smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CSCCCNC(=S)NNC(=O)Cc1nc(C)cs1	7027307	JIYNBWWQDUXASQ-UHFFFAOYSA-N	318.493	1.242	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1csc(C2CC2)n1	104830693	DJZVZRLLHCLPFM-UHFFFAOYSA-N	316.386	1.894	50	20	DDGD	
CC[C@H](C)NC(=O)c1ccc(NC(=O)NNC(=O)OC)cc1	54478529	LXSRZPQWXKETEC-VIFPVBQESA-N	308.338	1.607	50	20	DDGD	
COc1ccc2c(c1)C[C@H](C(=O)NNC(=O)CC(C)(C)C)CO2	103198747	UCWMSFLSPAPAET-LBPRGKRZSA-N	320.389	1.830	50	20	DDGD	
CCCCN(C)CCNC(=O)NNC(=O)Cc1ccccc1F	112466082	BBHYQGNVNMYOSE-UHFFFAOYSA-N	324.400	1.431	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1	106452008	LTJQAUKKELICHL-DTWKUNHWSA-N	318.299	1.468	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNC(=O)c1ccccc1F)C1CCCC1	53461677	YOJCHVUPRZXVGK-AWEZNQCLSA-N	321.352	1.282	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)ncn1	172280496	LMQZWBNXVQULLS-GFCCVEGCSA-N	319.409	1.513	50	20	DDGD	
O=C(NCCOc1ncccc1Cl)NNc1ncccn1	119633148	KJFNWOZIVCAYBT-UHFFFAOYSA-N	308.729	1.230	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)CCc2ccccc2)n(C)n1	173361987	HEWZWXLDFFLQQN-UHFFFAOYSA-N	314.389	1.937	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H]1COc2ccc(Cl)cc2C1	63269878	ZULKFVOIVKZSOD-SNVBAGLBSA-N	311.769	1.630	50	20	DDGD	
NC(=O)c1ccc(OCC(=O)NNc2c(F)cccc2F)cc1	118512597	MMANEAHAGTVIEI-UHFFFAOYSA-N	321.283	1.586	50	20	DDGD	
C=C1c2ccccc2C(=O)N1CC(=O)NNc1cc(C)ncn1	172281658	CZBAANVPPZTUEU-UHFFFAOYSA-N	309.329	1.355	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)c2c[nH]nc2C)cc1OC	67996655	CMCWIYQWWHKTMW-UHFFFAOYSA-N	318.333	1.200	50	20	DDGD	
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NNC(=O)OCC(F)(F)F	1261754500	AZEISKJKNIMIFX-ZCFIWIBFSA-N	322.287	1.525	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1scnc1C(C)(C)C	176658147	FSUSRSGHHXHYOO-UHFFFAOYSA-N	314.411	1.421	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1OC	61547267	JWCAUUVLGDCXJS-UHFFFAOYSA-N	303.318	1.497	50	20	DDGD	
Cc1csc(=O)n1CCC(=O)NNc1nccnc1Cl	114894740	RAAHAVIOLFUVIF-UHFFFAOYSA-N	313.770	1.195	50	20	DDGD	
Cc1ccc(OCCCC(=O)NNC(=O)CN(C)C)c(C)c1	120060424	JLCMERVYZOLKDT-UHFFFAOYSA-N	307.394	1.171	50	20	DDGD	
COc1ccnc(NNC(=O)c2cnc(C(F)(F)F)nc2)n1	122932328	ZXZBXYMIMVXFCC-UHFFFAOYSA-N	314.227	1.051	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cccn2C)oc2c1C(=O)CCC2	78910157	SRPANMSRGUUSSN-UHFFFAOYSA-N	315.329	1.520	50	20	DDGD	
Cc1ccc2c(c1)[C@@H](NC(=O)NNC(=O)c1ccc[nH]1)CO2	120998533	NBAJEDXIFDVVHQ-LBPRGKRZSA-N	300.318	1.401	50	20	DDGD	
Cc1cccc(NNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1	78305531	FHLXFVXCPAHLJI-INIZCTEOSA-N	316.361	1.159	50	20	DDGD	
O=C(CN(Cc1ccncc1)C1CC1)NNC(=O)c1ccccc1	181461343	RFNQRQMEVJFAEU-UHFFFAOYSA-N	324.384	1.507	50	20	DDGD	
CCN1CCCC[C@H]1CNC(=O)NNc1cccc(OC)n1	181267618	IKAWGWALZDFFIU-LBPRGKRZSA-N	307.398	1.591	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNc1nc(-c2ccncc2)no1	76452859	HKTZHFNUNFGQFD-SNVBAGLBSA-N	303.322	1.556	50	20	DDGD	
O=C(CS(=O)(=O)C1CCCC1)NNc1cc(Cl)ccn1	183037950	HLZDDEPCSIGWGF-UHFFFAOYSA-N	317.798	1.536	50	20	DDGD	
CC(C)Cn1cc(C(=O)NNC(=O)Cc2ccccc2F)cn1	181086164	VZHYCMJPRSJDRD-UHFFFAOYSA-N	318.352	1.682	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@H](C)c2nccs2)n1	187022418	HEDNOZIEPFJHAK-MRVPVSSYSA-N	308.367	1.372	50	20	DDGD	
NC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1	73188970	GYCPNDDYAPLDER-UHFFFAOYSA-N	321.340	1.852	50	20	DDGD	
CC[C@H](C)Oc1cc(C(=O)NNC(=O)c2cnn(C)c2)ccn1	180903764	QQSXFLQTYGOASN-JTQLQIEISA-N	317.349	1.067	50	20	DDGD	
Cc1nc2ccccc2cc1C(=O)NNC(=O)Cc1cc[nH]n1	186115113	XOPGMZGVUPGMOD-UHFFFAOYSA-N	309.329	1.270	50	20	DDGD	
Cn1nccc1NC(=O)C(=O)NNc1ccc(C(C)(C)C)cc1	181444701	RMLUVJKFSPWZBE-UHFFFAOYSA-N	315.377	1.799	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CCc1cnn(C)c1C	132862533	CQBGAHUSCSCOPC-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
CS(=O)(=O)N[C@@H]1CCCN(/C(=C/C#N)c2ccc(F)cc2)C1	78686552	OYHOMCONJALWLC-VLHYRRCOSA-N	323.393	1.704	50	20	DDGD	
C[C@@H](NC(=O)CC1CCCCC1)C(=O)NNc1ncccn1	134207747	FYIVGDNRHVFRNX-LLVKDONJSA-N	305.382	1.395	50	20	DDGD	
COCCn1ccc(C(=O)NNc2cc(F)c(F)cc2F)n1	190253983	VBAHFAWHKQBSNI-UHFFFAOYSA-N	314.267	1.704	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@@H]1C[C@H]1c1cccc(F)c1	194518152	UUPMCZVISWUWHA-WCQYABFASA-N	302.309	1.654	50	20	DDGD	
Cn1nnc2cc(C(=O)NNc3cnc4ccccc4n3)cnc21	193564998	URRGKXXIMQAZDL-UHFFFAOYSA-N	320.316	1.063	50	20	DDGD	
CCCSCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	48402136	ZVAQPQUQYIBHSI-UHFFFAOYSA-N	318.402	1.981	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNC(=O)OC(C)(C)C)c1ccco1	43138169	MREPNNLTHUOYNP-JTQLQIEISA-N	312.370	1.621	50	20	DDGD	
C[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)CC1CCCC1	195219611	OKRLPTOKWSYGEC-JTQLQIEISA-N	307.350	1.126	50	20	DDGD	
COC(=O)[C@]1(C)CCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	194879681	CHCKTMNVAPCEJM-QFSNBGPKSA-N	314.341	1.853	50	20	DDGD	
C[C@@H](Cc1cccc(F)c1)C(=O)NNC(=O)N1CCOCC1	194906250	GYDGVVKHFVPRJN-NSHDSACASA-N	309.341	1.077	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)c1c(O)cccc1O	92125333	UBGQRWSBPQQIBD-UHFFFAOYSA-N	302.315	1.859	50	20	DDGD	
CC(=NNC(=O)c1ccccc1)c1ccc(-n2cnnn2)cc1	254303466	LUDTYQDLIRSGSY-UHFFFAOYSA-N	306.329	1.816	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@H](C)[C@H]2CCOC2)c1	266620538	QYLMCJPCOBGRPR-OLZOCXBDSA-N	321.377	1.129	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@@H](O)COC)c1C	268559652	AYXLTKOHVJSGJK-WPBGYSLVSA-N	319.405	1.545	50	20	DDGD	
COCCC(=O)NNC(=S)Nc1ccc(OC(C)C)cc1	263642304	CDVKRERPPSBFHV-UHFFFAOYSA-N	311.407	1.828	50	20	DDGD	
COC(=O)c1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c[nH]1	267802030	QIBJGUUENHXGCA-JVOXIWMLSA-N	303.318	1.003	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCS[C@@H](C)[C@@H]1C	265546112	SCKUWRNQHCUFSL-QWRGUYRKSA-N	323.418	1.875	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)[C@@H]1C[C@]12CCOC2	364097556	MJNQQKQFWVPAKL-FZMZJTMJSA-N	309.391	1.048	50	20	DDGD	
CCC[C@@H]1C[C@H]1NC(=O)NNC(=O)COc1cccc(C)c1	267665839	DQDPWNMBPXMINW-TZMCWYRMSA-N	305.378	1.893	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@H](NC(=O)NNC(=O)c2ccc(C)o2)C1(C)C	271771363	CVJYCBWQIUSDIA-ADEWGFFLSA-N	309.366	1.592	50	20	DDGD	
CCCCN1C(=O)C[C@H](C(=O)NN)[C@H]1c1ccc(OC)cc1	368432857	GHTZTHDIDFBZDO-DZGCQCFKSA-N	305.378	1.375	50	20	DDGD	
CC(C)c1cc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)no1	274029509	CHTMHRMPAZINCL-UHFFFAOYSA-N	310.354	1.320	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@]12CCOC2)c1cc2ccccc2o1	364720127	WPRHXLCSHBWFJL-BZNIZROVSA-N	300.314	1.620	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)CCO1	271909811	RVZSGRFHLROMHG-DGCLKSJQSA-N	305.378	1.329	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(F)cc(Br)c1	271351010	LKEPQAUDGXTGAG-UHFFFAOYSA-N	318.146	1.894	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)c1ccccc1)CN1CCCC1	276972235	XXZXIUWATANHCI-UHFFFAOYSA-N	318.421	1.753	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	278783892	XXOIVWGZGXKUFN-SUMWQHHRSA-N	320.389	1.545	50	20	DDGD	
COc1cc(S(=O)(=O)N2CC=C(C#N)CC2)ccc1[N+](=O)[O-]	273542815	FKMMDENAULCDJJ-UHFFFAOYSA-N	323.330	1.448	50	20	DDGD	
Cc1ccc(-c2cncc(F)c2)cc1NC(=O)NNC(=O)CO	374792309	IACQMCWEBCIXJW-UHFFFAOYSA-N	318.308	1.341	50	20	DDGD	
CSSCCNC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1	376876904	XFBBRLVUBHEMPH-ZYHUDNBSSA-N	306.453	1.635	50	20	DDGD	
O=C(CNC(=O)NC1CCCCC1)NNc1ncccc1F	285886704	GRQKQADMROTJLC-UHFFFAOYSA-N	309.345	1.296	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(N2CCC(C)CC2)nc1	286502487	WQVGCJOTTWRIIB-UHFFFAOYSA-N	306.366	1.661	50	20	DDGD	
CS(=O)(=O)CCCC(=O)NNc1nccnc1C1CCC1	287349332	ZOVRNVJJFDBMKO-UHFFFAOYSA-N	312.395	1.012	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC12CCC2)Nc1ccc2c(c1)OCO2	802092770	BJGZOQGQMZWRKK-SNVBAGLBSA-N	303.318	1.758	50	20	DDGD	
COCCN(C)NC(=O)c1cc(C2CC2)nc2onc(C)c12	293674901	QWCVQYYTIGEONI-UHFFFAOYSA-N	304.350	1.632	50	20	DDGD	
Cc1nc2cccc(C(=O)NNC(=O)Cc3ccncc3)c2[nH]1	801916142	SFVHIYCNRBKOJT-UHFFFAOYSA-N	309.329	1.270	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc(OCCC(=O)O)cc1	298677822	VVYKBIIGHJRMRI-RAXLEYEMSA-N	318.329	1.210	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H](C)c1cnn(C)c1	805373497	QQBHYSRVAYLYAY-SNVBAGLBSA-N	303.322	1.884	50	20	DDGD	
O=C(CSc1ccccc1)NNC(=O)N=c1cc[nH]cc1	802032421	TURASZOUNIJQDQ-UHFFFAOYSA-N	302.359	1.449	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NNc2ncccc2F)n1	804214400	WFDHJKBOPSALII-UHFFFAOYSA-N	307.354	1.863	50	20	DDGD	
Cc1c(NNC(=O)c2cc3n(n2)CCC3)cccc1[N+](=O)[O-]	295465366	OOZDIXUMLZYEAG-UHFFFAOYSA-N	301.306	1.803	50	20	DDGD	
COCC1(CCNC(=O)NNc2nccc(OC)n2)CCC1	297205385	DRKPGIMEZMHDEX-UHFFFAOYSA-N	309.370	1.318	50	20	DDGD	
CSSCCNC(=O)N1CCC(OCCN(C)C)CC1	807226183	LIMPJRVXMLSMIM-UHFFFAOYSA-N	321.512	1.750	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@H]1CCN(c2ccccc2Cl)C1	290545871	PQACUWRIKQZTCR-JTQLQIEISA-N	310.785	1.469	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1coc(C)n1	801601472	HLSNTOAESRBSJV-UHFFFAOYSA-N	309.709	1.720	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H](C)NC2CC2)c1C	294704715	GYUDDUFJTTYFLT-QWHCGFSZSA-N	319.405	1.359	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNC(=O)N=c1cc[nH]cc1	802031665	KHEUXOOFJMCQDZ-VIFPVBQESA-N	316.365	1.190	50	20	DDGD	
C=CCC(C)(C)CNC(=O)NNc1ccc(-n2ccnc2)nn1	292909378	WXIVBPXEEAOBTH-UHFFFAOYSA-N	315.381	1.891	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)Cc2n[nH]c3c2CCCC3)n1	806932919	PZLPVZULJLLIMM-UHFFFAOYSA-N	320.784	1.726	50	20	DDGD	
COC[C@H](NC(=O)NNc1cccc(Cl)n1)[C@H]1CCCO1	293356243	MDAPODFKVKJETN-VHSXEESVSA-N	314.773	1.555	50	20	DDGD	
CN(CC(=O)NNc1cc(Cl)nc(Cl)c1)C(=O)C1CC1	819742907	HONGTHKWCQPZIV-UHFFFAOYSA-N	317.176	1.700	50	20	DDGD	
O=C(CCSc1ccc(F)cc1)NN=C1COCCOC1	814754599	WQYRRBDDICQSSH-UHFFFAOYSA-N	312.366	1.827	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COCCO1)[C@@H](C)CCCCC(=O)O	814860738	KOWMBJZRRBDSDU-JQWIXIFHSA-N	300.355	1.175	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCCSC2)cc1	810540141	YHIZXQPPIDPCMY-GFCCVEGCSA-N	319.386	1.228	50	20	DDGD	
Cn1nncc1NNC(=O)[C@@H]1CCCN(Cc2ccccc2)C1	816771033	VYLXNYTWCIFBPN-CQSZACIVSA-N	314.393	1.170	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cc(C)n(C(C)C)n2)n1	817359044	ZMGVUZNQGDQCPN-UHFFFAOYSA-N	305.342	1.720	50	20	DDGD	
COc1ccc(CCC(=O)NN=Cc2snnc2C)cc1	814220370	WMZWMFOEZJMPRY-UHFFFAOYSA-N	304.375	1.938	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)c2cccn2C)cc1	812729844	VVUCGLDVJCDVBD-UHFFFAOYSA-N	322.390	1.032	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNc1cccc(S(C)(=O)=O)c1	812543234	GDAHEXODDXGIDN-WDEREUQCSA-N	314.407	1.452	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2snnc2C)c1	813848792	JXLFZPSBIYFEIE-UHFFFAOYSA-N	321.362	1.459	50	20	DDGD	
C[Si](C)(C)c1ccc(CC(=O)NNc2ncc(F)cn2)cc1	810776732	GDWLEZPJZMWJNP-UHFFFAOYSA-N	318.428	1.847	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccc[nH]2)cc(OC)c1OC	725855148	MNOJXQRJZOHRGA-UHFFFAOYSA-N	303.318	1.804	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2c(Cl)nc(Cl)n2C)CC1	814913990	YHCPUEINIOYTPE-UHFFFAOYSA-N	319.196	1.018	50	20	DDGD	
COc1cc(C=NNC(=O)N=c2cc[nH]cc2)cc2c1OCO2	815000128	GCWWXLPMNJGXOF-UHFFFAOYSA-N	314.301	1.396	50	20	DDGD	
COCC(=O)NN=C1CCc2sc(Br)cc21	814871112	IFFXNWIBVUDXBP-UHFFFAOYSA-N	303.181	1.924	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cnc(Cc2ccccc2F)s1	823935627	UMOABSWYBYVNTM-JTQLQIEISA-N	323.393	1.830	50	20	DDGD	
CC[C@@H]1CCCCN1CCNC(=O)/C(C#N)=C\c1cnn(C)c1	491162196	QZJLNBALZYATQZ-DDITZMBXSA-N	315.421	1.708	50	20	DDGD	
CCOC(=O)NNC(=O)c1c(O)cnc2ccc(Cl)cc12	496058488	WHZSTKHSJXMGQS-UHFFFAOYSA-N	309.709	1.985	50	20	DDGD	
C[C@H](CC(=O)O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	827304616	YNCVMGLFOHFNIS-LDWCXNJISA-N	308.378	1.461	50	20	DDGD	
COc1ccccc1/C(C)=C\C(=O)NNC(=O)c1ccccn1	727363989	DLPABUXDILEECK-QXMHVHEDSA-N	311.341	1.955	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@H](Cc2ccccc2)[C@@H]1C	827962966	AEPQKAOMKWAXPG-GOEBONIOSA-N	317.433	1.743	50	20	DDGD	
CN1CCCC[C@@H](C(=O)NNCC(F)(F)C(F)(F)F)C1=O	825004971	WTPCJDPATOXTCD-ZETCQYMHSA-N	317.258	1.063	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)/C=C/c1ccsc1	726075482	HMBLSTKGTBWOFV-SNAWJCMRSA-N	313.448	1.635	50	20	DDGD	
CC(C)NC(=O)NNC(=O)C[C@@H](c1ccccc1)c1ncc[nH]1	824404832	XKYRLLYYAUKEKF-ZDUSSCGKSA-N	315.377	1.671	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cnc(Oc2ccccc2)cn1	823939312	IXBVSQXTDGTARG-NSHDSACASA-N	302.334	1.226	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NNC(=O)C(C)C)cc1	490550264	SXEZJDZZEMPUGG-LCYFTJDESA-N	301.346	1.796	50	20	DDGD	
CCN(CCC(F)(F)F)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	827306555	IMIWHBOUDANOMQ-BDAKNGLRSA-N	311.304	1.427	50	20	DDGD	
CC(C)Oc1cc(F)ccc1NCc1cccc(B(O)O)c1	585034758	TWCQVZNNBTYCEX-UHFFFAOYSA-N	303.142	1.905	50	20	DDGD	
CCCCOc1ccc(OC)cc1NCc1ccc(B(O)O)o1	585013105	LJPMZQWMXOVPFX-UHFFFAOYSA-N	319.166	1.759	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc2c(nc1O)CC(C)(C)CC2=O	491245311	PBUJZVDERSQJGG-UHFFFAOYSA-N	321.333	1.333	50	20	DDGD	
CN(CC1(O)CCOCC1)C(=O)[C@@]1(C)C[C@H]1Br	907595002	NRWLFNDPZYFMJU-KOLCDFICSA-N	306.200	1.160	50	20	DDGD	
CN(C)C1(CNC(=O)[C@@]2(C)C[C@H]2Br)CCOCC1	906696718	IUYQUCQZZKCATP-PWSUYJOCSA-N	319.243	1.387	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(Cl)nn2)c2c(C)n[nH]c2n1	735688287	LATNLJZQUBDDEK-UHFFFAOYSA-N	317.740	1.775	50	20	DDGD	
CCN(CCO)NC(=O)c1nc2ccccc2nc1C1CC1	823889207	MEOQPAVYMMHISH-UHFFFAOYSA-N	300.362	1.466	50	20	DDGD	
CC(C)(C)OC(=O)NC1(C(=O)NNC(=O)C2CCCC2)CC1	493283684	GWCNQIPOYSXEFY-UHFFFAOYSA-N	311.382	1.381	50	20	DDGD	
C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc(B(O)O)cc1	584947437	PVRDQQCMUPVREV-CJNGLKHVSA-N	309.174	1.385	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)N[C@H](C1CCC1)C1CC1	838744394	OUJZPOFEJGWAIY-CYBMUJFWSA-N	300.366	1.934	50	20	DDGD	
O=C(COC[C@H]1CCCO1)NNc1nccc2sccc12	734249613	CNWYCAJVAQAJCH-SNVBAGLBSA-N	307.375	1.935	50	20	DDGD	
O=C(NNC(=O)C1(c2ccc(F)cc2)CCC1)[C@H]1CCCCO1	833246846	SNTPZMSKHVZNGD-CQSZACIVSA-N	320.364	1.964	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@@](O)(/C=C/OCC)C(F)(F)F	491015229	ZYKXBYCQYZDKHG-NNVFTTKFSA-N	322.283	1.390	50	20	DDGD	
CON1CCC(=NNC(=O)COc2cc(C)ccc2C)CC1	834923105	XWMCPLOVYFUYOJ-UHFFFAOYSA-N	305.378	1.812	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)/C=C/c2ccc[nH]2)c1	492857947	YQPQQHFWAKKNDV-BQYQJAHWSA-N	314.345	1.296	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1c(CC)cccc1CC	495327319	XUOQYPBHTBKWJR-UHFFFAOYSA-N	307.350	1.527	50	20	DDGD	
O=C(COCC1CCCC1)NNC(=O)c1ccc(Cl)nc1	836398585	NCISLZSMROBDEZ-UHFFFAOYSA-N	311.769	1.703	50	20	DDGD	
C[C@@H]1CCCCN1CC(=O)NNC(=O)c1ccc(C#N)cc1	839463919	NQKRBSCEKXRINN-GFCCVEGCSA-N	300.362	1.194	50	20	DDGD	
CCN(C)Cc1cccc(CNCc2ccc(B(O)O)cc2)c1	585022087	IWRWVELVKAQPLN-UHFFFAOYSA-N	312.222	1.108	50	20	DDGD	
CCc1ccc(-c2cc(C(=O)NNC(=O)C#CC3CC3)n[nH]2)cc1	837502707	OIQCUWMMRLFWDX-UHFFFAOYSA-N	322.368	1.814	50	20	DDGD	
CC1(C)CCC[C@@H]2CN(C(=O)c3ccc(B(O)O)cc3)CC[C@@H]21	584995745	YKZVBRRKTAKRHF-ZBFHGGJFSA-N	315.222	1.655	50	20	DDGD	
COc1cc(NNC(=O)N[C@H]2COC[C@H]2OC)ccc1Cl	838779082	WDNMHBSKTYZDTP-CMPLNLGQSA-N	315.757	1.389	50	20	DDGD	
CN(C)C[C@@](C)(C=NNC(=O)N1CCOCC1)c1ccccc1	834950306	ZYXIBMVIMCQMPS-QGZVFWFLSA-N	318.421	1.534	50	20	DDGD	
C[C@H](CCCC(F)(F)F)NC(=O)c1ccc(B(O)O)c(F)c1	584983095	PHZYYGBIVWLLOH-MRVPVSSYSA-N	321.079	1.356	50	20	DDGD	
Cn1cc(C=NNC(=O)COc2ccc(F)cc2)c(C2CC2)n1	901146255	KIMORECMDPXFNO-UHFFFAOYSA-N	316.336	1.966	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)/C(F)=C(\C)C1CC1	908067216	AHYBNWRBAOLEFS-LUAWRHEFSA-N	302.346	1.577	50	20	DDGD	
OB(O)c1ccccc1CNC[C@@H]1[C@H]2CCc3ccccc3[C@H]21	585029409	YAJWZTYLMXNNED-ZHALLVOQSA-N	307.202	1.432	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cc2oc(=O)n(C)c2cc1F	839164215	MZAYCSZWKCSJQO-UHFFFAOYSA-N	324.312	1.469	50	20	DDGD	
CC(C)O[C@@H](COc1ccc(B(O)O)cc1)c1ccccc1	584910817	TYBVRKBOUVFLBE-KRWDZBQOSA-N	300.163	1.912	50	20	DDGD	
O=C(COc1ccccc1C=NNC(=O)C1CC1)NCC1CC1	734743687	FAMYBHWQCFXGAM-UHFFFAOYSA-N	315.373	1.452	50	20	DDGD	
C[C@H]1c2nnc(C3CCCC3)n2CCN1S(=O)(=O)CCl	831543354	GFJYKADYFRLFEU-VIFPVBQESA-N	318.830	1.838	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N(C1CC1)[C@H]1CCc2ccccc21	584939062	KQOYYIPOJXBJNA-SFHVURJKSA-N	321.185	1.659	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)O)o1)Nc1ccc(C(=O)O)cc1	833148948	BMMPCZYGSGFZFV-UHFFFAOYSA-N	317.257	1.832	50	20	DDGD	
C[C@H](COc1ccc(F)cc1)NCc1ccc(B(O)O)cc1F	585017995	DJALTUJMXPHFIA-LLVKDONJSA-N	321.132	1.202	50	20	DDGD	
COc1ccc(C(=O)NN=C2CCn3ccnc32)cc1OC	834921171	SANHFWPRBGXVMO-UHFFFAOYSA-N	300.318	1.438	50	20	DDGD	
O=C(NNc1cnccn1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	734245501	IXXHTZUBRDVZOC-JTQLQIEISA-N	315.308	1.112	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NC2CN(C(=O)O)C2)cc1	739498156	RBDDBVXMIQCGBE-GHXNOFRVSA-N	315.329	1.471	50	20	DDGD	
CO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1cccc(Cl)c1	836607873	GKCSJEJTOSTTBJ-VXGBXAGGSA-N	311.769	1.852	50	20	DDGD	
CC(C)c1cccc(NC(=S)NNC(=O)C(=O)NC2CC2)c1	917573359	QUJHVIQNEKHQRB-UHFFFAOYSA-N	320.418	1.406	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(Br)c(F)c1	910167554	HRUSXYYZFAOSDS-ZETCQYMHSA-N	305.147	1.546	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C(C)(C)OC(C)=O)ccc1F	837038077	ZPSFKNPCJYJCFI-UHFFFAOYSA-N	312.297	1.397	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H](C)CC(=O)O)cc1C	832949055	NDYDTEOGNNMLLH-JTQLQIEISA-N	309.391	1.732	50	20	DDGD	
CC(C)c1ccc(NNC(=O)N[C@H](C)CS(C)(=O)=O)cc1	838470960	GTHXKGAUOBDIHG-LLVKDONJSA-N	313.423	1.869	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)c1cccc(C#N)c1)C(C)C	743637499	LEHSTRLOSDONBV-ZDUSSCGKSA-N	304.350	1.173	50	20	DDGD	
O=C(NC[C@@H]1COc2ccccc2C1)NNC(=O)C1CCCC1	916197855	XOJDIONYBBBHPU-GFCCVEGCSA-N	317.389	1.758	50	20	DDGD	
CN(C)S(=O)(=O)c1cccc(C(=O)NN=CC2CCCC2)c1	741837165	KTGBGBAVZFWMAY-UHFFFAOYSA-N	323.418	1.843	50	20	DDGD	
CC[C@@H]1CN(C)CCCN1S(=O)(=O)CC(C)(C)CCl	867220392	MAYIBZKWMPOYJX-GFCCVEGCSA-N	310.891	1.997	50	20	DDGD	
CCOc1ccc([N+](=O)[O-])cc1C=NNC(=O)[C@@H]1CCO[C@@H]1C	842559883	YDDPNPKXGSHVQB-ZWNOBZJWSA-N	321.333	1.869	50	20	DDGD	
CC(=O)c1ccc(CC(=O)NNc2ccnc(N(C)C)n2)cc1	740114322	UHIDZTOFDCVPKF-UHFFFAOYSA-N	313.361	1.431	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(NCC2CC2)nc1	843971057	OKZCMBYJUCLKHW-GWCFXTLKSA-N	318.377	1.090	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2ncccn2)[C@H]1c1ccccc1	841592678	VLWQTBRFLYCJLX-DGCLKSJQSA-N	311.345	1.524	50	20	DDGD	
COCC(=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1)C(C)C	741457784	ZRRBONDETJJYDR-MELADBBJSA-N	313.442	1.506	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)COc1ccccc1F)c1ccco1	741659336	DOLMJPUWJBWIJQ-SNVBAGLBSA-N	306.293	1.749	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)Cc1nc(C2CC2)nn1C	843833341	MWBUYKGRLXAXSL-UHFFFAOYSA-N	303.341	1.826	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	841375454	KPXQDCFOYFKDAI-HNNXBMFYSA-N	317.389	1.919	50	20	DDGD	
NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)Nc1ccc(Cl)cc1	848044473	JFMSOYGAQRSVRT-ZJUUUORDSA-N	310.741	1.004	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cccc(OC)c1OC	916355347	RAXJOVQIDSRKAP-UHFFFAOYSA-N	307.394	1.886	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccn(-c2ccc(F)cc2F)n1	910161270	UHIBJDKZILKJJE-VIFPVBQESA-N	310.304	1.108	50	20	DDGD	
CO[C@H]1c2ccccc2C[C@H]1NC(=O)NNC(=O)C1CCC1	840407462	HXMRKRMCYAWHGA-KGLIPLIRSA-N	303.362	1.429	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCCc2nc(C)sc21	748259463	VXGOIRIYQOMIRK-VIFPVBQESA-N	311.407	1.660	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cccc1[N+](=O)[O-]	843658606	FIEMCFXPXWWNIL-ZYHUDNBSSA-N	321.333	1.018	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)CNc2ccc(OC)cc2)[C@H]1OC	841604766	UWVRLBQSCILFCB-GDBMZVCRSA-N	321.377	1.403	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(C)(C)NC(=O)Nc1ccccc1	746095884	GSXGZBVSVVSOOY-UHFFFAOYSA-N	306.366	1.390	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc2cc(F)ccc2[nH]1	843975219	QPLMSXABUAITSK-GZMMTYOYSA-N	305.309	1.493	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NN=Cc1cnc2cnccn12	746369860	CVNDNQAZPYAOCV-UHFFFAOYSA-N	318.340	1.834	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCc1cccc(F)n1	747964670	WOFRCYHIMWYESY-UHFFFAOYSA-N	318.308	1.374	50	20	DDGD	
Cc1ccc2[nH]c(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)cc2c1C	843980934	YJPLDWASXSKQLD-RYUDHWBXSA-N	315.373	1.971	50	20	DDGD	
C[C@@H](OCc1ccccc1)C(=O)NNc1ccnc(N(C)C)n1	740102853	GTCQHSPRNMWYNU-GFCCVEGCSA-N	315.377	1.591	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1nc(Cl)ccc1Cl	843640475	NUVVXLOKMAUXBR-NKWVEPMBSA-N	318.160	1.574	50	20	DDGD	
C[C@]1(C(=O)N2CC[C@@H](C3OCCO3)C2)C[C@H]1Br	927997472	VCLDVQKNBSLIQO-LNLATYFQSA-N	304.184	1.381	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNC(=O)CCOc1ccccc1	841387571	PSUKHZUILKODJQ-AWEZNQCLSA-N	308.378	1.664	50	20	DDGD	
Cc1nc(SCCC(=O)NNc2cccc(C#N)c2)n[nH]1	748045893	VXDNEMJSUPYCEL-UHFFFAOYSA-N	302.363	1.610	50	20	DDGD	
CCC(=O)C1(C(=O)NNc2ccc(CC(=O)OC)cc2)CC1	846376769	FGZVMOMNAYMCSY-UHFFFAOYSA-N	304.346	1.605	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)N[C@H](C)CN)c1	841970991	JLHRSVIJHRHEIR-GFCCVEGCSA-N	322.409	1.175	50	20	DDGD	
CCCCNC(=O)NN=C(C)c1ccc2c(c1)NC(=O)CO2	920750828	NHMJYHQQLFEAEB-UHFFFAOYSA-N	304.350	1.841	50	20	DDGD	
NC[C@H]1CC[C@H](CNC(=O)NNc2ccc(Cl)nn2)CC1	841994917	GMVATFZTMAKZQQ-MGCOHNPYSA-N	312.805	1.521	50	20	DDGD	
O=C(NN=C1c2ccccc2CC12CCOCC2)c1cc[nH]n1	853391755	BBFYXYDQRHWNNU-UHFFFAOYSA-N	310.357	1.897	50	20	DDGD	
CCC(CC)n1ccc(C(=O)NNC(=O)c2cccc(F)n2)n1	856423535	VMJSHLAZVNAOGC-UHFFFAOYSA-N	319.340	1.853	50	20	DDGD	
CCC(=O)NNC(=O)Nc1nnc(Cc2ccccc2F)s1	756480122	QXSWEBKTWUYIFM-UHFFFAOYSA-N	323.353	1.831	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN[C@H](C)[C@@H]2CCCOC2)cc1	754568423	UUNDFKZLLJRXGV-UKRRQHHQSA-N	319.405	1.161	50	20	DDGD	
CCC(=O)NN=Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1	920362313	WKZJFKHXIZNGMF-UHFFFAOYSA-N	301.306	1.855	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CC[C@@H](C2OCCO2)C1	928009596	RMYLFFMMLAIVFG-CKXDQPNJSA-N	316.332	1.954	50	20	DDGD	
CCNC(=O)CCCC(=O)NC[C@]1(C)C[C@@H]1Br	857398739	AASDHBDWGNUZBA-CABZTGNLSA-N	305.216	1.583	50	20	DDGD	
Cc1ncoc1C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	751058981	PFDUJPVIWYRAOW-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=C1C[C@H](C)N(C2CC2)C1	753955646	RUVGAMKOULQZLO-NSHDSACASA-N	311.389	1.985	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](C)Cc2ccncc2)o1	752379904	QBOWWDPPWDSMKQ-JTQLQIEISA-N	302.334	1.558	50	20	DDGD	
CN1CCC(C(=O)NNc2ccc(C(F)(F)F)nn2)CC1	755198467	RBOSRIYESFEAKJ-UHFFFAOYSA-N	303.288	1.280	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)COc2ccccc2F)n1	752400797	VGRGWLTYBGFWET-UHFFFAOYSA-N	319.292	1.069	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)C(=O)NNC(=O)OCC(F)(F)F	856023506	LTYGPIHOOCZUFU-YFKPBYRVSA-N	308.260	1.450	50	20	DDGD	
CS(=O)(=O)CCCCNC(=O)NNc1ccc(F)c(F)c1	922954201	JUAIHGVITDWSMB-UHFFFAOYSA-N	321.349	1.416	50	20	DDGD	
CC[C@@](C)(O)C(=O)NNC(=O)Cc1cccc2ccccc12	929614329	PSDXOICPZWINRD-QGZVFWFLSA-N	300.358	1.691	50	20	DDGD	
C[C@@H]1CCC[C@H](OCC(=O)NNC(=O)OCC(F)(F)F)C1	856023606	PSPNLBHJDVJNPJ-BDAKNGLRSA-N	312.288	1.901	50	20	DDGD	
O=C(CCc1ccoc1)NNC(=O)COc1ccccc1F	753276029	CZCZXHPRIVSYJN-UHFFFAOYSA-N	306.293	1.578	50	20	DDGD	
C[C@@]1(CNC(=O)c2nc3ncccn3n2)C[C@@H]1Br	857686746	DHVCUZLYUDQTEX-CPCISQLKSA-N	310.155	1.028	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)Oc1ccccc1F)c1cnn(C)c1	920827875	QFVKXMGHJYRRFP-LLVKDONJSA-N	304.325	1.867	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1cnc([C@H]2CCCO2)s1	755730601	MGCFFYIKXZGUAC-LLVKDONJSA-N	305.363	1.790	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccccc1S(C)(=O)=O)C1CCC1	756108114	IYDWDJGSEKKZNH-SNVBAGLBSA-N	311.407	1.905	50	20	DDGD	
O=C(NC[C@@H]1CCCS1(=O)=O)NNc1ccc(F)c(F)c1	921518329	AZZGHJFQAVZGLH-VIFPVBQESA-N	319.333	1.168	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=Cc1cnc(C)n1C	853267130	ZVRAHLHNTWOHGH-UHFFFAOYSA-N	300.362	1.820	50	20	DDGD	
CNC(=O)NNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-]	751462197	ZNNPVKYLQRGAEJ-UHFFFAOYSA-N	318.742	1.301	50	20	DDGD	
Cc1ccc(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1	920379987	DPQOJNOOCBUTJA-ZDUSSCGKSA-N	309.391	1.124	50	20	DDGD	
CC(C)NC(=O)[C@H](C)NC(=O)NC[C@@]1(C)C[C@@H]1Br	856960431	PARXEBUQLQYSDK-HOTUBEGUSA-N	320.231	1.372	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](C)c1nccc(N)n1	854760690	ZNLBPMYMSSHEMR-VIFPVBQESA-N	322.800	1.602	50	20	DDGD	
Cc1cnc([C@@H](C)CNC(=O)NNC(=O)CC(F)(F)F)s1	758774366	HEOVKSVMNGQFCH-LURJTMIESA-N	324.328	1.838	50	20	DDGD	
O=C(CO)NNC(=O)Nc1cc(F)ccc1SCC(F)F	756672316	NHCYQNUGFZUSHW-UHFFFAOYSA-N	323.296	1.328	50	20	DDGD	
Cc1ccccc1COCC(=O)NNC(=O)NCC(F)(F)F	857718830	SPQBWSZJYNYXMG-UHFFFAOYSA-N	319.283	1.404	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@@H]1CCCN1C(=O)C1CC1	855370825	JJKSECZNBKPACV-AWEZNQCLSA-N	305.353	1.978	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)N(C)C)cnn1C1CCCC1	751724550	DSOMUKSBQDPUSF-UHFFFAOYSA-N	307.398	1.867	50	20	DDGD	
Cc1ccc(NNC(=O)C[C@H]2CCS(=O)(=O)C2)cc1F	856231537	BMFKFAGDFDPRPA-SNVBAGLBSA-N	300.355	1.402	50	20	DDGD	
COC1CCC(CC(=O)NNC(=O)Cc2cc(C)[nH]n2)CC1	869014480	IBHHULUBWFCREH-UHFFFAOYSA-N	308.382	1.003	50	20	DDGD	
O=C(NC[C@@H]1CCCCN1C1CC1)NNC(=O)C1CCCC1	764804928	DPDQLXIRIWIASM-AWEZNQCLSA-N	308.426	1.524	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2C[C@H]3C[C@H]2C(=O)O3)cc1	861872808	SUDYBJQNDHRCBZ-IUAVZTLVSA-N	312.325	1.519	50	20	DDGD	
COC1CCC(c2nc(-c3cccc(B(O)O)c3)no2)CC1	867054280	DNLHYLQJOOFSDB-UHFFFAOYSA-N	302.139	1.089	50	20	DDGD	
C[C@@H](NNC(=O)Cc1ccn(-c2ccccc2)n1)C(F)(F)F	862311834	UPRNLAUQWCUYTL-SNVBAGLBSA-N	312.295	1.986	50	20	DDGD	
C[C@@H](NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(F)(F)F	862307674	NQAQOAMFIINYEP-BDAKNGLRSA-N	319.283	1.200	50	20	DDGD	
COc1cc(C=NNC(=O)N2CCN(C)CC2)ccc1Cl	863107174	GTFNGOXBSKIXDY-UHFFFAOYSA-N	310.785	1.640	50	20	DDGD	
CC(=O)Nc1cc(NCc2ccccc2B(O)O)ccc1F	864020097	WJYPIDNBBWTAJP-UHFFFAOYSA-N	302.114	1.076	50	20	DDGD	
COCCCn1cc(C(=O)NNc2ccc(Cl)nn2)cn1	863880384	XLMZJOJQESOEJS-UHFFFAOYSA-N	310.745	1.120	50	20	DDGD	
Cc1ccc([C@H](C)[C@@H](O)C(=O)NNC(=O)c2ccc(C)o2)cc1	765142508	NXPPANVFFUWVKO-SWLSCSKDSA-N	316.357	1.822	50	20	DDGD	
O=C(NNc1ncccc1C(F)(F)F)c1n[nH]cc1[N+](=O)[O-]	764323116	PZLDRBLFHTZNSQ-UHFFFAOYSA-N	316.199	1.489	50	20	DDGD	
C[C@H](NNC(=O)[C@H]1COCCN1C1CCCC1)C(F)(F)F	862317322	KMPWCJZWVNTFLH-GXSJLCMTSA-N	309.332	1.201	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)C1=Cc2cc(F)ccc2OC1	761385244	NXHHTUUQEWUEJQ-UHFFFAOYSA-N	318.226	1.701	50	20	DDGD	
C[C@H]1CN(C(=O)OC(C)(C)C)CC1=NNC(=O)Cc1cc[nH]n1	863117541	WGQRILXIUYOPIG-JTQLQIEISA-N	321.381	1.311	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)/C=C\c1cccc(Cl)c1	768882797	JSPFNVRMNYCSQR-VURMDHGXSA-N	317.798	1.854	50	20	DDGD	
CCCOc1ccc(C(C)=NNC(=O)COCCOC)cc1	872403648	RPUSXRBDADSBKK-UHFFFAOYSA-N	308.378	1.979	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)c1	773063236	NAXGPMHQTVQFEF-UHFFFAOYSA-N	318.264	1.590	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@H](C)c1ccc(F)cc1	772109128	ICYOVGONQZDUQH-WDEREUQCSA-N	324.352	1.808	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C2(O)CCCC2)cc1C	873763654	FTPWMALZZMANNP-UHFFFAOYSA-N	307.419	1.926	50	20	DDGD	
COc1c([N+](=O)[O-])ccc(C=NNC(=O)c2c[nH]nc2C)c1O	773054441	QOJMORLRJAQXKV-UHFFFAOYSA-N	319.277	1.104	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)Nc1ccc2c(c1)COC2	879083282	LDSUJCICTGONLO-UHFFFAOYSA-N	305.334	1.296	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNC(=O)Cn1cnc2ccccc21	777958899	SZLCQYQZLHCIAH-GFCCVEGCSA-N	318.377	1.246	50	20	DDGD	
Cc1c(NC(=O)NNc2ncc(F)cn2)cnn1CC(C)C	775696256	UPQGIHZCHDWFHL-UHFFFAOYSA-N	307.333	1.925	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnc(Oc2ccccc2)cn1	773281662	AAMICWMTKYJAGG-UHFFFAOYSA-N	301.306	1.233	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(-n2ccc(C)n2)cc1	879525536	NJJNVJPWNBXYGD-UHFFFAOYSA-N	303.366	1.795	50	20	DDGD	
O=C(C[C@@H]1CCOC1)NNc1ccnc(Br)c1	771547679	SBIAYHRSTDSSPK-QMMMGPOBSA-N	300.156	1.714	50	20	DDGD	
COC(=O)c1cnc(C(=O)Oc2ccc([N+](=O)[O-])c(C)c2)cn1	779745543	CZJZRTBBGPCBBY-UHFFFAOYSA-N	317.257	1.699	50	20	DDGD	
CC(=O)N1CCC[C@@H](C(=O)OC[C@H](C)CBr)C1	770329237	BCOFDADEHALPMW-MWLCHTKSSA-N	306.200	1.819	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccn(-c2ncccc2F)n1	879043350	BKQFELBVWNPHSL-UHFFFAOYSA-N	308.317	1.021	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@H](F)Cc2ccccc2)n1	777964603	PMUVIIFRDQVUKT-CQSZACIVSA-N	318.352	1.228	50	20	DDGD	
O=C(N[C@H]1C[C@H](CO)C1)[C@@]12CC[C@@H](C[C@H]1Br)C2	886891483	WGUGWVWHUJFBNN-HKLXJQGRSA-N	302.212	1.827	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)c1ccc2c(c1)OCCO2	770595273	DADNJQMTLUTDFQ-UHFFFAOYSA-N	314.345	1.518	50	20	DDGD	
CC[C@@H]1C[C@H](C(=O)NNC(=S)Nc2ccccn2)CCO1	779939135	UCDABBQYTUTUCM-GHMZBOCLSA-N	308.407	1.604	50	20	DDGD	
CC(C)C1CCC(NC(=O)NNC(=O)C2CCOCC2)CC1	883518662	WZQMOCDZALXXCW-UHFFFAOYSA-N	311.426	1.958	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1cccnn1)c1ccc(C)cc1	883064896	SCBDRJNZWRPJAO-CYBMUJFWSA-N	313.361	1.880	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)[C@H]2CCCCO2)c1OC	889485096	MNZCTZNLJFOZDO-GFCCVEGCSA-N	323.349	1.426	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)CCS(=O)(=O)N(C)C	885125507	SBUYCWBVEOLZJT-UHFFFAOYSA-N	319.814	1.373	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cccc(C#N)c2)nc(C)n1	783326598	YUGXCDFXTNBBIF-UHFFFAOYSA-N	310.317	1.047	50	20	DDGD	
COc1ccc(NNC(=O)c2nnc(O)c3ccccc23)nc1	781533977	QNUCKXIXIBWHLP-UHFFFAOYSA-N	311.301	1.496	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H](C)Oc1cccnc1	780732230	NIFAKPIOYPIWAB-LLVKDONJSA-N	315.329	1.779	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)c2cccc(Cl)c2)C1	786687921	PEHSZTMGAXSDDR-ZJUUUORDSA-N	323.780	1.393	50	20	DDGD	
C[C@H]1C[C@@H](CCNC(=O)NNc2ccc(Cl)nn2)CCO1	784516557	NSTIAOPIFOEVLN-UWVGGRQHSA-N	313.789	1.961	50	20	DDGD	
O=C1CC[C@@H]2[C@H]1[C@H]2C(=O)NNc1ccc(Br)nc1	894768552	KODXUEQIAHCDJF-ONOSFVFSSA-N	310.151	1.512	50	20	DDGD	
COC1CCC(=NNC(=O)c2cc([N+](=O)[O-])ccc2O)CC1	783848693	HSBPRLONIAHBSR-UHFFFAOYSA-N	307.306	1.975	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2cnccn2)ccc1Cl	789726480	NCBNDJRSWISZAN-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
C[C@H](OC(=O)[C@@H](Br)C(C)(C)C)c1nnnn1C	787791723	ULJSFWJQJJWSKP-NKWVEPMBSA-N	305.176	1.624	50	20	DDGD	
COCc1ncsc1C(=O)NNc1ccc(C(=O)OC)cn1	786466289	RVAPLNWXAJKLIZ-UHFFFAOYSA-N	322.346	1.228	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NC[C@H]1CCCN1CC(F)(F)F	899237453	ZNEBLBWEMUPBNC-PFEDMVJOSA-N	305.300	1.573	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CC(C)(C)NC(=O)OC(C)(C)C	780705763	GEYLLRBSWJPKPO-UHFFFAOYSA-N	316.402	1.372	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1cccc(Br)c1)C1CC1	899937951	URWAHVMBNXTHSG-SNVBAGLBSA-N	313.151	1.040	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1C#N)[C@@]1(C)CCCO1	782152269	RJSUOSFLSOUZKB-MRXNPFEDSA-N	301.346	1.998	50	20	DDGD	
Cc1ccc(F)cc1C(=O)C(=O)NNC(=O)c1cccn1C	781585628	HFSNXIZBOKGUSX-UHFFFAOYSA-N	303.293	1.117	50	20	DDGD	
N#C/C(=C/c1cnn(CC2CCC2)c1)S(=O)(=O)NC1CC1	899368919	OOJNTFHAFLCCMD-NSIKDUERSA-N	306.391	1.629	50	20	DDGD	
C[C@@H]1CCC[C@@H](C(=O)NNc2ccc(-n3ccnc3)nn2)C1	788177012	FYQGWPDXVVPLHT-VXGBXAGGSA-N	300.366	1.932	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@@H](C)[C@@H](O)CC	899940249	INRSUXJJZSJARS-RYUDHWBXSA-N	324.377	1.019	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)NNC(=O)COc2ccc(F)cc2)C1	780788682	ZJVHJKXNHBULIC-PWSUYJOCSA-N	309.341	1.724	50	20	DDGD	
Cc1nnc(O)c(C(=O)NNc2cccc(F)c2[N+](=O)[O-])c1C	791069275	JSONZFOOJAQOIH-UHFFFAOYSA-N	321.268	1.603	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)Nc1nnc(C2CC2)s1	790596658	LRJNHGXHWAIXGW-UHFFFAOYSA-N	316.350	1.607	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1n[nH]c(C)c1[N+](=O)[O-]	798312851	LREPJYIFXNINSG-UHFFFAOYSA-N	318.293	1.401	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNC(=O)COc1ccccc1F	791010167	PFLWNYFNRQTFOJ-NSHDSACASA-N	307.325	1.337	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)c1cc(OC)cc(OC)c1)C(C)C	798552175	LUQAGOCXCBFVNO-CQSZACIVSA-N	319.361	1.306	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCOC(C)(C)[C@H]2C)n1	793227308	BGIXAXUEZSASPV-LLVKDONJSA-N	306.366	1.244	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41	795261768	ZVWQFYZFFRFWFJ-VBJLVJOSSA-N	312.373	1.322	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H](F)Cc2ccccc2)n1	794086248	SXBHMBKYMINGMK-CYBMUJFWSA-N	301.321	1.732	50	20	DDGD	
CN(C)c1cnc(C(=O)NNC(=O)c2ccccc2Cl)cn1	1319843145	XWMOKOLCUWTZAK-UHFFFAOYSA-N	319.752	1.271	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2ccc(C(C)(C)C)nn2)CCN1C	1319030769	YCEZMINXDHHXLA-NEPJUHHUSA-N	320.441	1.883	50	20	DDGD	
Cc1nnc(CNC(=O)NNC(=O)c2ccccc2Cl)o1	1317871959	RFCTXWVWNSEABU-UHFFFAOYSA-N	309.713	1.176	50	20	DDGD	
Nc1ncccc1C=NNC(=O)c1cncn1-c1ccccc1	1319277345	HBBDUKXZUIZUMD-UHFFFAOYSA-N	306.329	1.613	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)Nc1ccc(Cl)c(F)c1	1328681531	NGSGKQGRYDCXCC-UHFFFAOYSA-N	314.748	1.631	50	20	DDGD	
CC(=O)N1CC[C@@](C)(C(=O)NNC(=O)c2ccccc2Cl)C1	1323451091	JUHPTXAMTAXYIO-OAHLLOKOSA-N	323.780	1.360	50	20	DDGD	
C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)CCI	190891349	PAPKBXYTWGAEBA-JGVFFNPUSA-N	319.208	1.175	50	20	DDGD	
COc1cc(C)c(NC(=O)NNC(=O)C2CCNCC2)cc1F	1327440979	ZVICSUVWDGDZGR-UHFFFAOYSA-N	324.356	1.295	50	20	DDGD	
Cc1cc(C=NNC(=O)c2nn(-c3ccccc3)cc2O)ncn1	1327772518	IIUDMJQGJDMVQV-UHFFFAOYSA-N	322.328	1.440	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@H](C)n2ccnc2)cc1	1327413166	RFTRICZJBUQFNE-NSHDSACASA-N	302.334	1.303	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@H]1CCCCC12OCCO2	715706593	NBIUOZLUYBDTCD-NSHDSACASA-N	311.831	1.611	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)NC2CC=CC2)C[C@@H]1Br	1331078560	SEWLPCFAPQYGRF-CABZTGNLSA-N	301.184	1.111	50	20	DDGD	
COc1cccc(F)c1C(=O)NNc1nncc(N)c1Cl	1253124681	XVJKDHIIKRDUOG-UHFFFAOYSA-N	311.704	1.617	50	20	DDGD	
O=C1NCC[C@@]1(C(=O)NNc1cc(Cl)ccn1)C1CCCC1	1331523524	JHMAJZHPWATWHL-OAHLLOKOSA-N	322.796	1.875	50	20	DDGD	
O=C(CCl)NCCc1ccc(OCC(=O)NC2CC2)cc1	1253962991	HLQKSEYFHSBYNW-UHFFFAOYSA-N	310.781	1.242	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)Nc2ccc(Cl)nc2)n1	1338276577	MTOBBRVFSICIIJ-UHFFFAOYSA-N	320.740	1.224	50	20	DDGD	
O=C(NN=Cc1cc(Br)c[nH]1)C1CCOCC1	1330895917	LYZPLMHGWSFUNA-UHFFFAOYSA-N	300.156	1.654	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H](C)CC(=O)OC(C)(C)C)nc1	1343165563	LBATXTMSULUKDN-JTQLQIEISA-N	324.381	1.837	50	20	DDGD	
C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNc1cc(Cl)ccc1F	1350145111	XEFXQVZHKJHWAN-NOZJJQNGSA-N	312.776	1.311	50	20	DDGD	
C[C@@](C#N)(CC(=O)O)C(=O)NNC(=O)c1ccccc1Cl	1602782111	POCINRKJGSBUAP-ZDUSSCGKSA-N	309.709	1.106	50	20	DDGD	
O=C(CCc1ccncc1)NNc1ccc(F)c(C(=O)O)c1	1608320443	PCJJXRSTKCKWLF-UHFFFAOYSA-N	303.293	1.995	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1cc(C(=O)O)ccc1Cl	1608358608	RYGPWXQQMWZPMV-UHFFFAOYSA-N	306.709	1.454	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1cc(F)ccc1OC(F)F	1608754553	NRTJFXJPQLWUPU-UHFFFAOYSA-N	305.212	1.145	50	20	DDGD	
C[C@@H](Oc1ccccc1C=NNC(=O)[C@H]1CCCS1)C(=O)O	1604442760	GDGUOMIIVHTIRX-ZWNOBZJWSA-N	322.386	1.884	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cc1cccc(C(=O)O)c1)C1CC1	1604320291	XENBKCHLJNGJCB-SECBINFHSA-N	321.402	1.221	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cccn(C3CC3)c2=O)c1	1602449955	FHLTXWMJNGYVBR-UHFFFAOYSA-N	313.313	1.638	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccc(C(=O)O)cn2)c1	1606618204	MXGBGTGKTAWVHV-UHFFFAOYSA-N	315.285	1.323	50	20	DDGD	
O=C(NC[C@H]1C[C@H]1C(=O)O)NNc1ccc(Cl)cc1F	1601528246	VPULPSPLRPLLKV-HTRCEHHLSA-N	301.705	1.826	50	20	DDGD	
CC[C@@](COC)(NC(=O)/C(C#N)=C/c1ccc(O)cc1)C(=O)O	1605050746	WKKUFEQMOJPRIG-RCLKMUNOSA-N	318.329	1.295	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(Cl)Cl)[C@H]1C[C@@H]1F	1802347140	XTCUTRFTXOFFAW-SVSWQMSJSA-N	323.195	1.786	50	20	DDGD	
Cc1cnc(Cl)c(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)c1	1550354931	ZWLCWDSKQUFQBQ-CHWSQXEVSA-N	322.796	1.357	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@@H]2C=NNC(=O)CC(F)(F)F)cn1	1552447278	QVWAXZHBBQEGLH-BXKDBHETSA-N	318.299	1.942	50	20	DDGD	
Cn1cc([C@H]2OCCC[C@H]2C=NNC(=O)c2cnsn2)cn1	1552919783	LEPGNBOGVHTAHT-CABZTGNLSA-N	320.378	1.155	50	20	DDGD	
Cn1c(=NNC(=O)[C@@H]2C[C@H](N)[C@@H]3C[C@@H]23)sc2ccccc21	1553396527	DDRUMKZEKVEYCJ-DBIOUOCHSA-N	302.403	1.155	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C[C@H]1CNc2ccccc21	1576904857	YKNNXIWTZXHEJM-SRVKXCTJSA-N	303.362	1.158	50	20	DDGD	
CCN[C@@H](C)C(=O)NNC(=O)CSc1ccc(Cl)cc1	1577806632	HGOWLFAKIKPBAZ-VIFPVBQESA-N	315.826	1.578	50	20	DDGD	
Cc1cc(NNC(=O)Nc2cccc(C(=O)O)c2)nc(N)n1	1574343137	FJEWQQBQJKDVKA-UHFFFAOYSA-N	302.294	1.214	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H]1Cc2c(F)cc(C)cc2N1	1579329642	ZGGRXNXDDSJAKI-GFCCVEGCSA-N	317.324	1.413	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)Nc1cnc2c(c1)CNCC2	1580740181	ZKRAIFMNFDNIBV-UHFFFAOYSA-N	318.768	1.924	50	20	DDGD	
C=C(C)C[C@H](NC(C)=O)C(=O)NNc1ccccc1C(=O)O	1588546811	DAJNFBAIQXKFJX-ZDUSSCGKSA-N	305.334	1.299	50	20	DDGD	
O=C(NNc1nc2cccnc2s1)[C@@H]1C[C@H]1C1CCNCC1	1580742810	GIMOZNFGQRTJFR-WDEREUQCSA-N	317.418	1.770	50	20	DDGD	
C#CCCCC(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1846373267	FTMJORYFAKBMOI-GFCCVEGCSA-N	300.761	1.528	50	20	DDGD	
O=C(NNC(=O)c1coc([C@@H]2CCCN2)n1)NC1CCCCC1	1580737094	KBZNNOMJYHCCPC-NSHDSACASA-N	321.381	1.376	50	20	DDGD	
N#Cc1ccc(NNC(=O)COc2ccc(CCCN)cc2)cc1	1580069949	LRQORJUILPIBQN-UHFFFAOYSA-N	324.384	1.972	50	20	DDGD	
COCC(C)(C)CC(=O)NNc1ccc(-c2nn[nH]n2)cc1	1591368382	DYTHRKJBHDGVJK-UHFFFAOYSA-N	304.354	1.373	50	20	DDGD	
CO[C@H]1COCC[C@H]1CC(=O)NNc1ccccc1C(=O)O	1599141368	WZAUXYAMDGQCRX-GWCFXTLKSA-N	308.334	1.270	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1C[C@H](C(=O)O)Oc2cc(F)ccc21	1596860265	IEPQURZEXUNLST-LJTDUEICSA-N	320.276	1.448	50	20	DDGD	
O=C(O)c1coc(C=NNC(=O)[C@@H]2COc3ccccc3O2)c1	1776019730	NLQMAWGGMCRHLJ-ZDUSSCGKSA-N	316.269	1.268	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2nc(C)sc2C)c(O)c1	162747048	UMNHYFVMUJGLDI-UHFFFAOYSA-N	319.386	1.778	50	20	DDGD	
CC1=C(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)CCCO1	158885570	AVWOXKDBKYECJV-NSHDSACASA-N	322.336	1.825	50	20	DDGD	
C[C@@H](Sc1ccccn1)C(=O)NNC(=O)c1ccncc1	152034183	OHDFNDSNGBHGEQ-SNVBAGLBSA-N	302.359	1.418	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H](C)C(C)(C)CN(C)C)nc1	157535585	BIEGPWDBGAZVOE-LLVKDONJSA-N	309.414	1.693	50	20	DDGD	
Cc1noc(CCC(=O)NNC(=O)c2cccc3ccccc23)n1	157554736	PWFURMNSSKESGP-UHFFFAOYSA-N	324.340	1.925	50	20	DDGD	
Cn1cc(C(=O)C(=O)NNC(=O)c2cccc3ccccc23)cn1	157565575	BMRQDGLZDNIVAL-UHFFFAOYSA-N	322.324	1.217	50	20	DDGD	
C[C@@H](OC1CCCCCC1)C(=O)NNC(=O)c1cnn(C)c1	156399211	XFVYBSZUQBNMSS-LLVKDONJSA-N	308.382	1.309	50	20	DDGD	
C[C@H]1CC[C@@H](CC(=O)NNc2nccc(N3CCOCC3)n2)C1	155495955	YWCDSHXYKLLJKQ-QWHCGFSZSA-N	319.409	1.583	50	20	DDGD	
COc1ccc(NNC(=O)CCn2cnc3ccccc32)nc1	159128838	YRXXZCHYHJFREZ-UHFFFAOYSA-N	311.345	1.973	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O	159514466	UFSIIRGCSYLBKY-OEYXZAGESA-N	317.320	1.491	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2sccc2C#N)c1	52033728	HCGAAXOBNKDSSN-UHFFFAOYSA-N	315.354	1.768	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1	103198118	REKAWLUIFYFKNE-LBPRGKRZSA-N	309.410	1.219	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cccc([N+](=O)[O-])c1C	55617382	IQTPRCVGMXAPRO-MRVPVSSYSA-N	315.351	1.259	50	20	DDGD	
CN(CCNC(=O)NNc1cccnn1)Cc1ccc(F)cc1	175939711	CHYHAIDTCUDGPO-UHFFFAOYSA-N	318.356	1.374	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cccc([N+](=O)[O-])c1C	55617383	IQTPRCVGMXAPRO-QMMMGPOBSA-N	315.351	1.259	50	20	DDGD	
COCc1cccc(CNC(=O)NNc2ccc(C)nn2)c1	106263388	QHLWJMDXNSMTCH-UHFFFAOYSA-N	301.350	1.758	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(CC)c([N+](=O)[O-])c1	175003603	BFLWPFFMCQBDGZ-UHFFFAOYSA-N	308.363	1.452	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CN1CCCCC1=O)c1ccccc1	110340742	YDCFDXLIHIWVLE-CQSZACIVSA-N	317.389	1.340	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccn(-c2ccncc2)n1	1343782941	LECLATCNQPGMHG-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
CCn1cc(C(=O)C(=O)NNC(=O)c2cccc(Cl)c2)cn1	179326644	PQBFBSXHDPWPFP-UHFFFAOYSA-N	320.736	1.200	50	20	DDGD	
COc1cc(C(=O)NNc2ccncn2)cc2c1O[C@@H](C)C2	1344383178	SYGJAZUVARJYFP-VIFPVBQESA-N	300.318	1.566	50	20	DDGD	
CC1(C)C(C(=O)NNC(=O)Cc2cn3ccccc3n2)C1(C)C	173890540	MMKZXDAOFRAHGG-UHFFFAOYSA-N	314.389	1.706	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)CCc2ccoc2)c1	175522914	FIQAHORNTCOAHA-UHFFFAOYSA-N	317.345	1.480	50	20	DDGD	
Cc1cc(F)ccc1S(=O)(=O)NNC(=O)NC1CCCC1	65833002	RQVOVMVYTBMIPQ-UHFFFAOYSA-N	315.370	1.569	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@]2(O)CCOC2)cc1	178919578	FTPHIOVTBAKKPX-ZGUWOUCSSA-N	316.357	1.260	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)CN(C)C(C)C)cc1	67571193	JMBDBGVYLKRPLV-UHFFFAOYSA-N	309.435	1.575	50	20	DDGD	
CC(C)N(C)S(=O)(=O)c1ccc(CNC=C(C#N)C#N)cc1	63442017	XKKSEJYUWCWTAC-UHFFFAOYSA-N	318.402	1.736	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)C(=O)NNc1cccc2cnccc12	178508619	CFNFFYUNZAIEJG-JTQLQIEISA-N	307.375	1.359	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C)N(C)C	124493689	GGMDUJDEYRXJBO-ZIAGYGMSSA-N	321.421	1.558	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(C(C)C)c1	124701537	AYARBBMGBKPOBN-NSHDSACASA-N	305.378	1.942	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNC(=O)c1ccc[nH]1)c1ccccc1	125886062	RWLDMXKXLNJRIF-CQSZACIVSA-N	315.377	1.262	50	20	DDGD	
C[C@@H](C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)c1ccccc1	120439702	RZWHPZVEOLIZGT-OCCSQVGLSA-N	310.419	1.282	50	20	DDGD	
Cc1ccnn1-c1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1	32258903	VGRZOYLUEPZJTD-AWEZNQCLSA-N	314.345	1.121	50	20	DDGD	
CC#CCCCC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	184961843	VVRBAXMKCRBISJ-GFCCVEGCSA-N	306.337	1.934	50	20	DDGD	
COC[C@@H](NCC(=O)NNC(=O)c1ccccc1)c1ccco1	184548700	XIJOCZWYNBPENG-CYBMUJFWSA-N	317.345	1.018	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1cc(Cl)ccc1O	73302165	KFVGDPOZSGZYFT-UHFFFAOYSA-N	319.748	1.919	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(C)c(C)c1	77164155	UREKDHZKBVAIHN-UHFFFAOYSA-N	305.378	1.369	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1nc2c(s1)COCC2	185625231	MSTWDDFJSHQHIA-UHFFFAOYSA-N	312.395	1.805	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1cccc(-n2ccnn2)c1	183265719	LUGMSWUTZONAIC-UHFFFAOYSA-N	316.365	1.856	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NC[C@H](C)C#N)cc1	182815173	JLDFBBCMEJNYDD-LLVKDONJSA-N	304.350	1.118	50	20	DDGD	
Cc1nc(C(F)(F)F)ccc1C(=O)NNC(=O)[C@@H]1CCCO1	32261481	YFRFHIXEKXCNSU-VIFPVBQESA-N	317.267	1.349	50	20	DDGD	
N#CCc1cccc(C(=O)NNC(=O)COCc2ccccc2)c1	78193562	CNMASTQNLPHZED-UHFFFAOYSA-N	323.352	1.730	50	20	DDGD	
COc1cccc(NNC(=O)c2c(N)cccc2[N+](=O)[O-])n1	183029861	RXLABIPRBOOPOR-UHFFFAOYSA-N	303.278	1.338	50	20	DDGD	
O=C(C[C@@H]1CCS(=O)(=O)C1)NNc1ccc(Cl)cc1	132301473	YAFVNWDHFQJOIM-VIFPVBQESA-N	302.783	1.608	50	20	DDGD	
CCC[C@@H]1C[C@H](C(=O)NNc2cc(Cl)nc(N)n2)CCO1	134099538	JJTNAWGCVQGSHN-RKDXNWHRSA-N	313.789	1.751	50	20	DDGD	
Cc1cc(OC(=O)Cn2cc([N+](=O)[O-])cn2)ccc1[N+](=O)[O-]	193145518	PMVOGQYBCBGUKN-UHFFFAOYSA-N	306.234	1.614	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCc2nccs2)cc1	195329034	LQFXKILZGLCHNC-UHFFFAOYSA-N	301.331	1.159	50	20	DDGD	
CSc1ccc(C(=O)NNc2ncccn2)cc1[N+](=O)[O-]	193228734	SIJRQARVCZHMTL-UHFFFAOYSA-N	305.319	1.864	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)COC)c1C	192567340	FAMGSNRZYDNLFI-GFQQVXNGSA-N	319.405	1.809	50	20	DDGD	
O=C(CCc1cccc(F)c1F)NNC(=O)c1ccncc1	194832855	HNIYBFYRSRXERO-UHFFFAOYSA-N	305.284	1.754	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)Cc2c(F)cccc2F)n1	134010692	AWOBFFXOSQSAFT-UHFFFAOYSA-N	313.695	1.676	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@H]1COc2ccccc2C1	193305798	MIWZMRLIJAEKFG-SNVBAGLBSA-N	319.752	1.760	50	20	DDGD	
C#CCCCC(=O)NNc1c(OC)cccc1S(C)(=O)=O	192213095	YLFBRLCXWOTPQO-UHFFFAOYSA-N	310.375	1.345	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)Cc2ccc(O)cc2)c1	93546707	MWRSCJBGGZCCKS-UHFFFAOYSA-N	302.721	1.998	50	20	DDGD	
CC[C@@H](OC)C(=O)NNC(=O)c1cccc(Br)c1	266306567	FVWATHSRDDQQJR-SNVBAGLBSA-N	315.167	1.635	50	20	DDGD	
C[C@H]1[C@@H](C)OCCN1C(=O)NNC(=O)COCc1ccccc1	268864833	IWFGHVPQBYDYAJ-QWHCGFSZSA-N	321.377	1.053	50	20	DDGD	
CC(C)c1noc(OCC(=O)NNC(=O)c2ccccc2)n1	264532952	OLGHFSNGVNAZHQ-UHFFFAOYSA-N	304.306	1.033	50	20	DDGD	
CCCC(=O)N1CCCC[C@@H]1C(=O)NNc1nccc(OC)n1	264486924	XQIDZXNEBNURIQ-LLVKDONJSA-N	321.381	1.110	50	20	DDGD	
COc1ccccc1[C@@H](C)CC(=O)NNC(=O)N1CCOCC1	264060257	CPEQZSLNWLVFIF-LBPRGKRZSA-N	321.377	1.262	50	20	DDGD	
CC(C)CC(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1	263897871	IJZIFSCBNCVSQT-UHFFFAOYSA-N	311.407	1.617	50	20	DDGD	
COc1ccc(OC)c(NC(=O)C(=O)N2CC=C(C#N)CC2)c1	274818076	PWKJFLWLFSETQB-UHFFFAOYSA-N	315.329	1.325	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc([N+](=O)[O-])cc1OC	275838704	ZRQCBSFVHYUTDL-MRVPVSSYSA-N	310.310	1.802	50	20	DDGD	
C[C@@H]1C[C@H](CNC(=O)NNC(=O)c2ccc(C#N)cc2)CCO1	271571211	XDZNCWFTDQQSGO-DGCLKSJQSA-N	316.361	1.317	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(OCCCOC)cc1	272715870	YVFJIJPLMJHXFN-UHFFFAOYSA-N	309.366	1.408	50	20	DDGD	
COCCn1ccc(C(=O)NNc2cc(F)cc(OC)c2)n1	275998123	MDIHVABOYCOGTK-UHFFFAOYSA-N	308.313	1.434	50	20	DDGD	
COC1(C(=O)NNc2nc(-c3cccnc3)no2)CCCCC1	274826373	XRNPYTGLOYJSDW-UHFFFAOYSA-N	317.349	1.924	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1ccc(O[C@H](C)C(=O)OC)cc1	276293654	KIHBAYRHNXCFED-RLIURORJSA-N	323.370	1.926	50	20	DDGD	
CN(C)C(=O)Cc1ccc(NC(=O)NNC(=O)C2CCC2)cc1	272414398	ZJRXONYSBDCFPR-UHFFFAOYSA-N	318.377	1.270	50	20	DDGD	
CC[C@H]1CN(C(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)C[C@H]1O	270603289	YTEOJOUZQUJREI-UDSLPEFMSA-N	312.373	1.341	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnn(-c2ccccc2F)c1C	271449191	UGLDHPUABLRTJE-UHFFFAOYSA-N	319.340	1.626	50	20	DDGD	
C=CC[C@H](CC)NC(=O)NNc1ccc(-n2ccnc2)nn1	287245917	QJBHKHCZQCAZLL-NSHDSACASA-N	301.354	1.643	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnn(CC(C)C)c1C1CC1	281369839	WPEGRNYCLAGNBI-UHFFFAOYSA-N	321.450	1.711	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H](C)OC[C@@H]1CCCO1	281286465	QOEUKILKUIQGLO-OLZOCXBDSA-N	321.377	1.732	50	20	DDGD	
CCS[C@H]1CCC[C@@H]1NCC(=O)NNC(=O)c1ccccc1	286247903	SBKYQHIKLYXBHH-KBPBESRZSA-N	321.446	1.711	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnc(C2CCCC2)nc1N	288531603	PSSGXZBILHDHEW-UHFFFAOYSA-N	306.370	1.023	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNC(=O)COc1cc(C)cc(C)c1	285107609	UPJOQNGQCOVNTH-INIZCTEOSA-N	303.362	1.770	50	20	DDGD	
CC1(C)CN(C(=O)/C(C#N)=C\c2ccc(O)cc2)CC[C@@H]1O	280294471	QGPWMOCOXHRHRU-CTXBLAANSA-N	300.358	1.919	50	20	DDGD	
CCO[C@@H](CCNC(=O)NNC(=O)c1cccc(C)n1)C(C)C	280974733	UBEACBDIWXOVRZ-AWEZNQCLSA-N	322.409	1.785	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@H]2CCCCO2)oc2c1C(=O)CCC2	295584569	OQVAVGVCQNZCEV-GFCCVEGCSA-N	320.345	1.437	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CC[C@@H]1Cc2ccccc2NC1=O	296838384	FBVOUEHJLDMYJW-CYBMUJFWSA-N	317.389	1.771	50	20	DDGD	
CCC[C@H](NC(=O)c1c(C)nn(CCCl)c1C)C(N)=O	809059115	RKLCXPVGWOCXCA-JTQLQIEISA-N	300.790	1.123	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)OC(C)(C)C)Cc1ccccc1	298093323	LRCXVIOSHGXOSJ-ZDUSSCGKSA-N	323.393	1.983	50	20	DDGD	
O=C(NN=CCCC1CC1)C1CCN(c2ncccn2)CC1	807970790	WTTBXUZDBNHMRT-UHFFFAOYSA-N	301.394	1.985	50	20	DDGD	
CCOc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)CC1CC1	294016578	BSYIXFQOQLVTRH-UHFFFAOYSA-N	307.306	1.555	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)[C@H]1CC=CCC1	292343831	PKEBEWYVRXJKNE-LBPRGKRZSA-N	323.418	1.736	50	20	DDGD	
C[C@H](NC(=O)NNc1ncc(F)cc1F)[C@@H]1CCCCO1	297225736	HUDZPUBGKZWFSP-KWQFWETISA-N	300.309	1.944	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2ccnn2[C@@H](C)C2CC2)O1	296537335	ASAMTAOEFHRELW-NHCYSSNCSA-N	321.381	1.574	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)N[C@H]2CC2(C)C)c1	299033081	COCXESCGKSWPEH-ZDUSSCGKSA-N	305.378	1.811	50	20	DDGD	
C#Cc1cncc(C(=O)NNc2ccccc2S(C)(=O)=O)c1	806838171	QYKJKWHKNZDIIE-UHFFFAOYSA-N	315.354	1.223	50	20	DDGD	
CCc1csc(CC(=O)NNC(=O)c2ccc(Cl)nc2)n1	801134694	MSODOJMCEGFXKZ-UHFFFAOYSA-N	324.793	1.758	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cccc(F)c2Cl)nn1	807004805	WACUNOWODQPNOK-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
CNc1cc(C(=O)NNC(=O)N=c2cc[nH]cc2)cc(Cl)n1	802029650	SMLIUUOIAWGYBK-UHFFFAOYSA-N	320.740	1.060	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1sccc1C#N	293245703	BKAWIEMODDTENG-UHFFFAOYSA-N	310.335	1.114	50	20	DDGD	
CCCC[C@@H](C)C(=O)NNC(=O)c1nnc(O)c2ccccc12	800322850	HRDSUNXLWHYEAY-SNVBAGLBSA-N	316.361	1.923	50	20	DDGD	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)[C@H]1CCCCO1	295821728	YBQRQSQPHRXRBW-YSKGHYERSA-N	319.317	1.325	50	20	DDGD	
CCCSCC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	801323697	CGLILENTQPGXTK-JTQLQIEISA-N	304.412	1.255	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cnc2ccsc2c1	802036172	REEWDHMJTNJFCQ-UHFFFAOYSA-N	313.342	1.580	50	20	DDGD	
CC(C)COc1ncc(C(=O)NNc2cnnn2C)cc1Cl	816769843	ZANGJWGMCRBWHP-UHFFFAOYSA-N	324.772	1.655	50	20	DDGD	
CCOc1ccccc1N1C[C@@H](C(=O)NN(C)C2CC2)CC1=O	819641454	WUFHFOHPPBTDQP-LBPRGKRZSA-N	317.389	1.564	50	20	DDGD	
O=C(CCc1ccc2ccccc2n1)NNC(=O)Cc1cc[nH]n1	813444316	XWAJPFVPXLGSDW-UHFFFAOYSA-N	323.356	1.281	50	20	DDGD	
O=C(CN1C(=O)CCc2ccccc21)NNc1ncncc1F	817071198	QYRYMIIKHFGOQH-UHFFFAOYSA-N	315.308	1.038	50	20	DDGD	
CN(NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccc(Cl)c1)C1CC1	819648097	WYDYGWMPWMZQHQ-ZFWWWQNUSA-N	321.808	1.985	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCCCC12CCCC2	814835650	XMBNOFXTXYSESN-NSHDSACASA-N	315.439	1.531	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)COc2ccccc2O)[C@H]1SC	814953494	OWKOEZVKNJRDMD-DZGCQCFKSA-N	324.402	1.784	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNc1ccc(C(=O)OC)cn1	810755213	PIQDVLUENSXUDU-UHFFFAOYSA-N	309.325	1.535	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H](C(=O)NNC(=O)CC1CC1)C2	819136021	JJMDPXYABISBKE-LBPRGKRZSA-N	304.346	1.194	50	20	DDGD	
CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NCCCSC#N	816538000	AQGKXCPKTWDXOF-QMMMGPOBSA-N	311.329	1.410	50	20	DDGD	
COC(=O)C1(C)CN(C(=O)[C@@H](Br)C(C)(C)C)C1	819759776	CPXMTJNLYUIKCI-MRVPVSSYSA-N	306.200	1.818	50	20	DDGD	
N#CSCCCNC(=O)[C@H]1CN(Cc2ccccc2)CCO1	816538713	CLXYWWUGIQTLCO-OAHLLOKOSA-N	319.430	1.608	50	20	DDGD	
Cc1ccccc1NC(=O)NN=Cc1cnc(N(C)C)n1C	811637749	JOCALOOVHJTSOM-UHFFFAOYSA-N	300.366	1.950	50	20	DDGD	
Nc1ccc2c(c1)C(=NNC(=O)C(=O)N1CCCC1)CCCC2	817325824	GRWVVWYTPWRYHP-UHFFFAOYSA-N	314.389	1.438	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1ccccc1N1CCOCC1	728786539	LXCHJNBBDKUEDD-UHFFFAOYSA-N	324.384	1.611	50	20	DDGD	
COCCOc1ccc(Cl)cc1C(=O)NN(C)[C@@H](C)CO	823946329	HJIJXRYCLZJUPP-JTQLQIEISA-N	316.785	1.323	50	20	DDGD	
C[C@@H]1CCC[C@]1(C)C(=O)NNC(=O)COc1ccccc1O	823180528	WGAKVACTKXCJEF-BZNIZROVSA-N	306.362	1.745	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@H]1CCCN(CCc2ccccc2)C1	823924318	ZBEDEDSIUSXMMM-DOTOQJQBSA-N	319.449	1.285	50	20	DDGD	
CN(NC(=O)C1(NC(=O)OC(C)(C)C)CCCCC1)C(N)=O	495644906	PNHMSDYCHYMGOZ-UHFFFAOYSA-N	314.386	1.256	50	20	DDGD	
CC(C)n1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)n1	824371792	SNXBEXOXSBRYSQ-UHFFFAOYSA-N	312.337	1.401	50	20	DDGD	
COCCCN1CCC(NC(=O)NNc2ccc(F)cc2)CC1	727031470	SUUNIYKPROTRGG-UHFFFAOYSA-N	324.400	1.953	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H]1CSC(c2ccccc2O)=N1	822244012	IGNXSIYDAZVUPX-SNVBAGLBSA-N	321.402	1.448	50	20	DDGD	
C#CCN(CC(=O)NNC(=O)c1cccs1)C1CCCCC1	490923283	JUCIVTOMVFBUGU-UHFFFAOYSA-N	319.430	1.777	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1cncc(Cl)n1)C1CCCC1	823304601	BZSZFOCFZGDLCD-JTQLQIEISA-N	313.789	1.961	50	20	DDGD	
CCc1cc(CNC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)on1	490664590	SDMWAKUFEPOJCP-WLRTZDKTSA-N	323.356	1.979	50	20	DDGD	
C[C@]1(C(=O)N[C@H]2CCCN(CCCO)C2)C[C@@H]1Br	908539571	BAPVTZCQVATQHX-GVXVVHGQSA-N	319.243	1.123	50	20	DDGD	
C#CCC[C@H](O)CNC(=O)/C(C#N)=C/c1ccc(OCC)cc1	490876432	KFVFMFWOZFQJMP-SFKKXYGYSA-N	312.369	1.883	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccccc1OCc1ccncc1	823977533	ZFCSMDCLCCKVHD-CYBMUJFWSA-N	315.373	1.618	50	20	DDGD	
CCOCCCN1CCC(=NNC(=O)c2ccncc2)[C@@H](C)C1	735223511	CVCCMFPLDGVBHO-AWEZNQCLSA-N	318.421	1.936	50	20	DDGD	
Cn1cc(-c2nn[nH]n2)cc1C(=O)NNc1ccccc1Cl	826358358	QEQPRSKZXDAMJK-UHFFFAOYSA-N	317.740	1.616	50	20	DDGD	
CN1C(=O)CCC[C@H]1C(=O)NNC(=O)c1ccc(Cl)cc1	905053501	DFSCXBNNXUWZDV-NSHDSACASA-N	309.753	1.112	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)CCc1ccn(C)n1	822731173	HRFUTPVNCWIOPI-UHFFFAOYSA-N	320.324	1.422	50	20	DDGD	
CC(C)[C@@]1(C)C[C@@H]1NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	838764374	AUFGDMBYHDRQRR-SWLSCSKDSA-N	320.349	1.973	50	20	DDGD	
CCc1cccc2c1OCC[C@@H]2NCc1ccccc1B(O)O	585022680	WDJJFFPZHKISEI-KRWDZBQOSA-N	311.190	1.542	50	20	DDGD	
CC(C)(C(=O)NNc1cccnc1Cl)S(=O)(=O)C1CC1	839701434	XGUZXYGWEZJPKP-UHFFFAOYSA-N	317.798	1.534	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)C[C@@H]1CCOC1	739497478	PZUQZCACHHPFDK-ZDUSSCGKSA-N	312.369	1.956	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2cc(F)c(F)cc2F)CCC1	734555102	UCDJWFYSADJDSN-UHFFFAOYSA-N	301.268	1.463	50	20	DDGD	
COc1ccc(SCCCC(=O)NNc2nc[nH]n2)cc1	839769493	MMGGJLDZCNAJAS-UHFFFAOYSA-N	307.379	1.829	50	20	DDGD	
CC[C@H](C(=O)NNc1cccnn1)N(C)C(=O)OC(C)(C)C	832045302	YPBNSYDDKKRYJW-SNVBAGLBSA-N	309.370	1.565	50	20	DDGD	
CC1(C)C[C@@H](O)c2cc(NCc3ccc(B(O)O)o3)ccc21	585036512	LXJKJINAWFSIDL-CQSZACIVSA-N	301.151	1.286	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCc3ccc(F)c(F)c32)c(F)c1	585045076	ASXPMKPILIMNNC-AWEZNQCLSA-N	321.107	1.561	50	20	DDGD	
CC[C@@H](O)[C@H](C)C(=O)NNC(=O)c1cc(C)nc2ccccc12	907954865	VWRLVTORTKFDJT-XHDPSFHLSA-N	315.373	1.711	50	20	DDGD	
COc1ccc(CN(C)C(=O)NNC(=O)C(C)(C)C)cc1OC	731499075	IWQVCTKJEIMXPJ-UHFFFAOYSA-N	323.393	1.923	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)N2CC[C@H](B(O)O)C2)c1C(C)C	585065272	WPAWOCXRJMWVPV-NSHDSACASA-N	306.171	1.338	50	20	DDGD	
COC(=O)CCc1ccccc1C(=O)NNC(=O)NCC1CC1	900386204	MTBUUCSMUALEKB-UHFFFAOYSA-N	319.361	1.146	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1C[C@H]2c3ccccc3CC[C@@H]12	585050051	POUGHHVZEKYWSJ-ZIFCJYIRSA-N	307.202	1.575	50	20	DDGD	
C[C@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC12CCC2	584970890	URFCVFIRIIEZRB-NSHDSACASA-N	305.158	1.158	50	20	DDGD	
C=C[C@H]1CCCCN1CC(=O)NNC(=O)Cc1ccccc1C	839586821	YMCGQQZRPDIORO-INIZCTEOSA-N	315.417	1.725	50	20	DDGD	
Cc1ccc(F)c2c1C(=NNC(=O)[C@H]1CCCCO1)C(=O)N2	834988653	LMWFJVPEVBKKEY-SNVBAGLBSA-N	305.309	1.476	50	20	DDGD	
O=C(NNc1ncccn1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	730211061	XFPHWAZOKOFRIV-SNVBAGLBSA-N	315.308	1.112	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cccc1N(C)C	831616868	VGOWILUKZALXAH-NWDGAFQWSA-N	320.393	1.639	50	20	DDGD	
COc1cccc(NCC(=O)NN=Cc2c(C)nn(C)c2C)c1	916360016	VDVSBWBARIBOGM-UHFFFAOYSA-N	315.377	1.608	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(F)cn1)c1nnc2ccccn12	731359273	OUUNHLCMGGQTMS-SECBINFHSA-N	315.312	1.651	50	20	DDGD	
Cc1cc(NNC(=O)c2cccc(-c3nn[nH]n3)c2)nc(C)n1	737281782	ZOXMFMIJRKDPHC-UHFFFAOYSA-N	310.321	1.030	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)c2cc3c(s2)CCC3)CCOC1	733352436	PSEJPZRQOWDJQP-OAHLLOKOSA-N	323.418	1.607	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNc1ccc(C(=O)OC)cc1F	838678418	ZRLFJFIYUWXRNK-OLZOCXBDSA-N	323.324	1.582	50	20	DDGD	
CCOc1ccc(C(=O)NN=C(C)c2cnn(C)n2)cc1OC	834929595	PYWDTIXFADSYFS-UHFFFAOYSA-N	317.349	1.376	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)[C@@H]2CCCCO2)c(Cl)c1	833246443	KMKKOAGFYIUBGB-ZDUSSCGKSA-N	310.781	1.907	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC(C)(C)C)cc1OC	916970611	MDKXINZKFGNKSK-UHFFFAOYSA-N	309.366	1.694	50	20	DDGD	
CN1C(=O)CCc2cc(C=NNC(=O)[C@H]3CCCCO3)ccc21	834984899	DEHIJAYMOFFIPP-OAHLLOKOSA-N	315.373	1.615	50	20	DDGD	
Cn1cc(CCC=NNC(=O)CCOc2ccccc2)cn1	834949582	JBJVSNFCHLVJLK-UHFFFAOYSA-N	300.362	1.924	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCc1nc(O)cc(O)n1	912472736	CHTJNPLLPZZWPU-VIFPVBQESA-N	318.171	1.314	50	20	DDGD	
Cc1ccc(C(=O)/C=C/C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	911503268	RCUXOFRYFWLJNX-SNRDVKANSA-N	316.357	1.306	50	20	DDGD	
CO[C@](C)(C1CC1)[C@H](C)NC(=O)NNC(=O)c1ccc(C)o1	840418297	SPYZXXKBWZTJDM-BONVTDFDSA-N	309.366	1.736	50	20	DDGD	
CN(C)Cc1cccc(C(=O)NNc2ccnc(N(C)C)n2)c1	741286888	IKHJUWZVQLXTRH-UHFFFAOYSA-N	314.393	1.361	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CCOc2c(C)cccc21	740762115	AGAPCHMEIRRTHI-UHFFFAOYSA-N	317.389	1.903	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCc2nccc(N)c2C1	918900037	NBJMCVGOPJAZLS-UHFFFAOYSA-N	317.842	1.617	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](CN)C1CCCCC1	841938778	BCWUWZXONZYUMT-HNNXBMFYSA-N	318.421	1.847	50	20	DDGD	
COc1ccccc1NCC(=O)NN=Cc1cn2ccccc2n1	918707776	DYMIOTHCXYYPON-UHFFFAOYSA-N	323.356	1.905	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cccnc1C(F)(F)F	843663399	XCXJRUBRXLRFBX-HTQZYQBOSA-N	317.267	1.286	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)C2)cc1OC	843753416	HVULEHOWYJRHDF-SNVBAGLBSA-N	320.345	1.224	50	20	DDGD	
O=C(NN=Cc1cccnc1)c1csc(N2CCOCC2)n1	916337229	BEUVMZMWVHRTHQ-UHFFFAOYSA-N	317.374	1.139	50	20	DDGD	
CC(C)(CCNC(=O)NNc1cccc(C#N)c1)S(C)(=O)=O	840428948	DKECSBQCIYUOTQ-UHFFFAOYSA-N	324.406	1.398	50	20	DDGD	
Cc1ccc(-c2nc(CC(=O)NN(C)C[C@@H](C)O)cs2)o1	910171549	XQOYWORLUQDORS-SECBINFHSA-N	309.391	1.598	50	20	DDGD	
CNC(=O)NNC(=O)c1ccccc1OCc1ccncc1	919879148	ICROKGDSGRURDL-UHFFFAOYSA-N	300.318	1.234	50	20	DDGD	
Cc1cc(F)c(CC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1F	843662236	RYQAVKDDUINFIK-KOLCDFICSA-N	312.316	1.388	50	20	DDGD	
CCOc1ccc(C(=O)NN=Cc2ncnn2CC)cc1OC	848402517	GKOSOMBKXQTPJQ-UHFFFAOYSA-N	317.349	1.469	50	20	DDGD	
CC(C)C(=O)NNC(=O)C1(c2cccc(F)c2)CCOCC1	919972761	UQVVBOAZNLDYKD-UHFFFAOYSA-N	308.353	1.677	50	20	DDGD	
CC1CCN(C[C@H](C)C(=O)NNC(=S)NCC2CC2)CC1	849252997	QTMZYMKMIOESER-LBPRGKRZSA-N	312.483	1.260	50	20	DDGD	
COCCN(C)NC(=O)CN(C)c1nc2ccccc2s1	848056189	MXWPPYPVPRDQJW-UHFFFAOYSA-N	308.407	1.342	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(O)c1	843979017	LZBBALXSSDNEBS-ZYHUDNBSSA-N	306.362	1.702	50	20	DDGD	
N#C/C(=C\c1cn(CC(N)=O)nn1)c1nc(C2CC2)cs1	843271773	FQNRXPCCZQYKOD-YCRREMRBSA-N	300.347	1.161	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccc(N(C)C)c1)c1cnn(C)c1	749875277	WZMFHMHDSZJYHY-LLVKDONJSA-N	315.377	1.051	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)N2CCOCC2)c2c(O)ccc(F)c21	745591324	UYIBBWZFTBPNEL-SECBINFHSA-N	307.325	1.784	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)[C@H](C)NC(N)=O	748730634	QAGHJGWSJGYEBQ-ZETCQYMHSA-N	315.171	1.257	50	20	DDGD	
CCc1cc(Br)ccc1NNC(=O)NC[C@@H](C)N	841983979	GWQCFOTXRBDYQD-MRVPVSSYSA-N	315.215	1.985	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)C	843790991	AACJZAUZJSUUPK-NSHDSACASA-N	324.381	1.093	50	20	DDGD	
CN(C)c1nccc(NNC(=O)Cc2cccc([N+](=O)[O-])c2)n1	743485153	WVESQLPGLXHOIM-UHFFFAOYSA-N	316.321	1.137	50	20	DDGD	
COc1cccc([C@H](C)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	843643887	AYNSYPFVOUZOCQ-MISXGVKJSA-N	306.362	1.371	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H](CN)C2CCCCC2)n1	841941000	VQWOVNJPVODYGO-AWEZNQCLSA-N	319.409	1.242	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)NCCCNC1CC1	841918315	GMVNYKUPLQPZNH-UHFFFAOYSA-N	324.812	1.355	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCCCC2)N[C@H]1CCNC1	841939370	PHEGMVXZAREDEK-NSHDSACASA-N	322.434	1.323	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1cnc2ccccn12	755587722	XCSQANHUSOXYKM-AWEZNQCLSA-N	313.405	1.906	50	20	DDGD	
CC(=O)N[C@@H]1CCN(C(=O)NC[C@]2(C)C[C@H]2Br)C1	856893485	NVGWGYAHEMHKPM-FOGDFJRCSA-N	318.215	1.080	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CCNC2=O)c(C(F)(F)F)c1	857264923	RUGPTDMLTONHBX-MRVPVSSYSA-N	317.267	1.293	50	20	DDGD	
CCOCCOCCNC(=O)NC[C@]1(C)C[C@@H]1Br	923371606	CDDLGWHVBAUXKT-JQWIXIFHSA-N	323.231	1.512	50	20	DDGD	
C[C@H](C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)C1CCCC1	750167167	PUGXBTWUMAZKEA-AAEUAGOBSA-N	302.440	1.305	50	20	DDGD	
COC[C@@](C)(CC(=O)OC)NC[C@@H](CBr)C1CC1	859197389	FQHBIHUFXKPEOC-DGCLKSJQSA-N	322.243	1.965	50	20	DDGD	
CCCCn1ncc(NC(=O)NNC(=O)c2ccncc2)c1C	757750312	SCBFSRGWAQLTJA-UHFFFAOYSA-N	316.365	1.853	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNc1ccc([N+](=O)[O-])cc1F	855623387	CMKJWCZMUVTSFM-UHFFFAOYSA-N	312.301	1.339	50	20	DDGD	
CN1CCCC(=NNC(=O)COc2ccccc2[N+](=O)[O-])CC1	758098440	AZFZLQNTTDBZCS-UHFFFAOYSA-N	320.349	1.562	50	20	DDGD	
CC(C)(C(=O)NC[C@@]1(C)C[C@@H]1Br)S(C)(=O)=O	857689693	MYVDIKOSEVWQOI-OIBJUYFYSA-N	312.229	1.099	50	20	DDGD	
CCc1nn(C)c(CC)c1C=NNC(=O)[C@@H](C)OCCOC	755764863	UUDGZWPPNUWTHJ-LLVKDONJSA-N	310.398	1.047	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@@H]2CCCNC2)C[C@@H]1Br	857104206	PEFRFSNBRXBLHQ-JFGNBEQYSA-N	304.232	1.459	50	20	DDGD	
CO[C@@H](CNC(=O)/C(C#N)=C\c1cnn(C)c1)C1CCCC1	856154664	NMNOLBXWPFVHJC-GSHXUFRSSA-N	302.378	1.648	50	20	DDGD	
COC[C@H](NCC(=O)NNC(=O)c1ccc(C)cc1)C(C)C	754385727	RWPRNESXCADCQN-AWEZNQCLSA-N	307.394	1.017	50	20	DDGD	
CC[C@@H](CN1CCOCC1)NC(=O)NNc1cccc(C)n1	925614225	VUIRTAYULJDXQO-ZDUSSCGKSA-N	307.398	1.127	50	20	DDGD	
CC(C)c1nnc(CCC(=O)NNc2ncc(Cl)cn2)o1	857356721	VBMSEZYOBNXHEP-UHFFFAOYSA-N	310.745	1.712	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1cc(F)cc(F)c1O	757465810	XYVFVNHNMHFGRY-VIFPVBQESA-N	316.304	1.562	50	20	DDGD	
Cc1cc(=O)n(C)cc1NC(=O)NNC(=O)c1ccccc1C	756892788	RTQSJJHOUPPOCW-UHFFFAOYSA-N	314.345	1.469	50	20	DDGD	
CCCNC(=O)NN=Cc1cc(O)cc(Br)c1O	755673965	TUWDYACBQSDKGE-UHFFFAOYSA-N	316.155	1.903	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1cccc(C(=O)O)c1)C1CCOCC1	853427390	SEBTYAXVUWZGLH-AWEZNQCLSA-N	320.345	1.542	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CC[C@]2(C)CCC(=O)N2)c1	753424434	CJIHQQGIDGKAHT-HNNXBMFYSA-N	309.341	1.726	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1	755969182	ITNJFMDSIOSVGU-UHFFFAOYSA-N	306.366	1.778	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)NNC(=S)Nc1cccc(C)c1C	854185170	PWTVTKGUAKJTTO-UHFFFAOYSA-N	322.434	1.536	50	20	DDGD	
CCC1(O)CCC(NC(=O)NNc2ncc(Cl)cn2)CC1	856881448	JCTZCCNJKBTUJL-UHFFFAOYSA-N	313.789	1.840	50	20	DDGD	
CCO[C@@H]1CCCN(C(=O)NNC(=O)c2cccc(F)n2)C1	852709043	ALLWLBMTLBDPMK-SNVBAGLBSA-N	310.329	1.076	50	20	DDGD	
CC1(C)CN(C(=O)NC[C@@]2(C)C[C@@H]2Br)CCO1	856899940	HSEMJZMJSNYBEE-JOYOIKCWSA-N	305.216	1.980	50	20	DDGD	
Cc1cc2c(cc1NC(=O)NNC(=O)c1c[nH]nc1C)OCO2	757979199	OZHCILAZDLBBML-UHFFFAOYSA-N	317.305	1.222	50	20	DDGD	
C[C@H](C(=O)NNc1ncc(Cl)cn1)N(C)CC(F)(F)F	857358169	REJQHYAEJCPAOZ-ZCFIWIBFSA-N	311.695	1.456	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C[C@H](n1cccn1)C(F)(F)F	854164125	SNPKMXLCJIDUCM-QMMMGPOBSA-N	322.287	1.933	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NNc2ncc(F)cc2F)C1	857868704	AFGQHPFVRDCICP-GMSGAONNSA-N	307.304	1.892	50	20	DDGD	
C=CCCn1cc(C(=O)NC[C@]2(C)C[C@H]2Br)nn1	857386351	UBHMSEPJSBKVTQ-PWSUYJOCSA-N	313.199	1.758	50	20	DDGD	
CN(C[C@@H]1CCOC1)C(=O)NC[C@]1(C)C[C@H]1Br	856898483	BDDRNRQSFBBVTF-UMNHJUIQSA-N	305.216	1.838	50	20	DDGD	
C[C@@H](NNC(=O)c1cnc(-c2ncccn2)s1)C(F)(F)F	862309048	LEARAFVRDCZECP-ZCFIWIBFSA-N	317.296	1.785	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)NC2CCCC2)cc1C(F)F	930964363	FXGGQYKAKUVYGK-UHFFFAOYSA-N	301.297	1.244	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1cc(C#N)cc(Cl)n1	768694757	HBCBLCGCTNBGJR-NSHDSACASA-N	303.753	1.147	50	20	DDGD	
COc1cc(C=NNC(=O)c2cccnc2)c([N+](=O)[O-])cc1O	767009895	CXQARYBIPWOMHA-UHFFFAOYSA-N	316.273	1.468	50	20	DDGD	
Cc1cccc(CO[C@@H](C)C(=O)NNC(=O)[C@H]2CCCCO2)c1	868619530	OIPYZHULZNMYCZ-DZGCQCFKSA-N	320.389	1.617	50	20	DDGD	
CCCN(C)c1ccccc1NC(=O)C(=O)NNC(=O)C(C)C	861803800	FFTJPCHFQLNQQW-UHFFFAOYSA-N	320.393	1.275	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=Cc1cnc(C2CC2)o1	863125743	CMQDZPUEKIANAR-UHFFFAOYSA-N	320.393	1.945	50	20	DDGD	
O=C(CCc1nc(C2CCCC2)no1)NNC(=O)C1CCCC1	761922533	UTYCLHFJEZABHJ-UHFFFAOYSA-N	320.393	1.997	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ncncc1F)CC1(C)OCCO1	868858179	CLJGARZAOGXQFL-SECBINFHSA-N	313.333	1.031	50	20	DDGD	
CCc1ccccc1NC(=O)C(=O)NNC(=O)C1CCCC1	764077950	WARYPXJODZYPRX-UHFFFAOYSA-N	303.362	1.525	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)NS(=O)(=O)CC(C)(C)CCl	867360260	GEKNGCHNEBLYEZ-JTQLQIEISA-N	307.847	1.536	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)Cc2ccccc2F)CCC1=O	764199465	SAVJMMQECSHPIP-JQWIXIFHSA-N	306.337	1.521	50	20	DDGD	
CCC[C@@]1(CO)CCCN1[C@@H](C)C(=O)NNC(=O)CC(C)C	769912498	FCVZXKSJMRVQML-BBRMVZONSA-N	313.442	1.195	50	20	DDGD	
O=C(NNc1cccnn1)c1ccc([N+](=O)[O-])c2cccnc12	766189892	BFKDQYPGOVPNHD-UHFFFAOYSA-N	310.273	1.690	50	20	DDGD	
Cc1cccc(C)c1NC(=S)NNC(=O)c1ccnnc1	761198140	MIOIWFBDGRCZLV-UHFFFAOYSA-N	301.375	1.725	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(N(C)C(=O)C2CC2)cc1	932620530	IYTPCUKBUVGTNK-UHFFFAOYSA-N	306.322	1.452	50	20	DDGD	
CC(C)N1C[C@@H](NC(=O)[C@H](Br)C(C)(C)C)CC1=O	767932605	DPQMLKMTCYBUOG-ONGXEEELSA-N	319.243	1.922	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1C1CCCC1)c1ccncc1	769532046	MMPNBLWHKHWWJS-CQSZACIVSA-N	302.378	1.250	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNCC(F)(F)C(F)(F)F	863100137	SVMLHZHOMFZKRK-ZCFIWIBFSA-N	306.231	1.394	50	20	DDGD	
C[C@@H]1CN(C[C@@H](C)C(=O)NN=Cc2cncs2)C[C@@H](C)O1	767762133	FVMJVTGOJHRBSF-IJLUTSLNSA-N	310.423	1.339	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(C)c(C(=O)OC)c1	865014369	DNIVQMMYYWZAGC-UHFFFAOYSA-N	307.350	1.526	50	20	DDGD	
CC(=O)Nc1ccc(O)c(C(=O)NN[C@@H](C)C(F)(F)F)c1	862314975	NXAHUDIAIGPRBZ-LURJTMIESA-N	305.256	1.536	50	20	DDGD	
OB(O)c1cccc(CNc2cc(F)ccc2OC(F)F)c1	864029955	FUDJFVHDLRHMLI-UHFFFAOYSA-N	311.068	1.719	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)O)nn1C1CCCCC1	768260400	BYKRDLWKNPEHCC-UHFFFAOYSA-N	308.382	1.229	50	20	DDGD	
O=C(NNc1cccnn1)N[C@@H]1CC[C@@H]2SCCS[C@@H]21	762635294	VOSGCSPIRFGLRX-WCABBAIRSA-N	311.436	1.482	50	20	DDGD	
Cc1cc(C=NNC(=O)C(=O)Nc2ccccn2)ccc1C#N	766454740	KXGSSNIBUJWWOB-UHFFFAOYSA-N	307.313	1.351	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccc(F)n2)cc1OC	763336107	OQMKOFRFSFEHIL-UHFFFAOYSA-N	319.292	1.313	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=C(C)c1cn(C)cn1	872333220	FHCOOWXIJOUNJE-UHFFFAOYSA-N	324.388	1.873	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1nccn2ccnc12	774783466	WMUMMJUAECBITO-UHFFFAOYSA-N	305.301	1.429	50	20	DDGD	
CC[C@H](C)[C@H](C)C(=O)NNC(=O)Cn1cnc2ccccc21	779868213	WQHASSLHPUEVKY-RYUDHWBXSA-N	302.378	1.866	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cnoc1C1CC1	1118684743	HFMPFPBRQQSSLU-UHFFFAOYSA-N	311.338	1.102	50	20	DDGD	
COC[C@@H](C)NC(=O)NNC(=O)CSc1ccc(C)cc1	770324571	NNKCUSKEGSUUCG-LLVKDONJSA-N	311.407	1.452	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)CN1CCCC1	873884410	IUYYJWCNQXVILT-UHFFFAOYSA-N	311.385	1.626	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc(OCC(F)F)cc1	872401866	LMNZAJYMYFLTRW-UHFFFAOYSA-N	316.304	1.444	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@H](C)CC2(C)OCCO2)cc[nH]1	875371170	BWOAPUIMRVRFIQ-LLVKDONJSA-N	308.382	1.227	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)CCC(C)(C)C	772315552	KKLIBJJEKCLUBT-MNOVXSKESA-N	300.399	1.938	50	20	DDGD	
O=C1CCc2cc(OS(=O)(=O)CCCCl)ccc2N1	881774327	NWRKIDBKQPPXON-UHFFFAOYSA-N	303.767	1.909	50	20	DDGD	
COC[C@H](NS(=O)(=O)CCCCl)c1cccc(OC)c1	882393894	JIGCSBNYMCJMTA-ZDUSSCGKSA-N	321.826	1.931	50	20	DDGD	
C[C@@H]1CC[C@H](NCC(=O)NNC(=O)c2cccs2)[C@H](C)C1	775678353	PLERHEDTXBAYEY-UTUOFQBUSA-N	309.435	1.923	50	20	DDGD	
CCc1nc(CC(=O)NNC(=O)c2ccc(C)c(O)c2)cs1	882048311	LCCVRYNMDLUGJE-UHFFFAOYSA-N	319.386	1.723	50	20	DDGD	
CC[C@H](C)n1nc(C(=O)NNC(=O)C2CCOCC2)cc1C	883067339	DSXXBBIEXKEFMH-JTQLQIEISA-N	308.382	1.350	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)CC(F)(F)F)c1OC	889491480	IOBFGZPDAWSSMI-UHFFFAOYSA-N	321.255	1.809	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)c1OC	889485097	MNZCTZNLJFOZDO-LBPRGKRZSA-N	323.349	1.426	50	20	DDGD	
CC(=O)N[C@@H](C(=O)OC[C@@]1(C)C[C@H]1Br)C(C)C	1123143059	VTNUEVYRDSBZNE-CKYFFXLPSA-N	306.200	1.864	50	20	DDGD	
CC(C)[C@H]1CCC[C@@H](NC(=O)NNC(=O)c2cccnn2)C1	883325669	HYKNIVUIXNMQHY-NWDGAFQWSA-N	305.382	1.635	50	20	DDGD	
COc1ccccc1[C@@H](CO)NS(=O)(=O)CCCCCl	780795186	YTGSHOYHWGJALQ-GFCCVEGCSA-N	321.826	1.667	50	20	DDGD	
CN(C)CCOCCNC(=O)NNc1cc(F)c(F)cc1F	788013095	FVQRRMSBHNTESV-UHFFFAOYSA-N	320.315	1.308	50	20	DDGD	
Cc1occc(=O)c1OCC(=O)NNC(=O)CC1CCCC1	893801740	MQSMSXKRNHXARM-UHFFFAOYSA-N	308.334	1.055	50	20	DDGD	
CN(C)c1cccc(CCC(=O)NNC(=S)NC(C)(C)C)c1	899996522	WZNNSDGVQHBSJU-UHFFFAOYSA-N	322.478	1.979	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc2ccccn2c1	785996823	VLHZZJHDBDPJMV-JTQLQIEISA-N	303.318	1.042	50	20	DDGD	
CN(NC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2)c1ccccc1	783429716	OOCDCLAQXCIDCD-UHFFFAOYSA-N	324.340	1.287	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCc2c(O)cccc21)c1ccccn1	789726616	BTLPFQJJPLPTMY-CYBMUJFWSA-N	311.341	1.668	50	20	DDGD	
Cc1cc(F)cc(-n2cc(C(=O)NN=c3cc[nH]cc3)nn2)c1	790015822	PHIHBZIPEJTUFQ-UHFFFAOYSA-N	312.308	1.289	50	20	DDGD	
Cc1nn(CC(F)F)cc1C(=O)NNc1ccc(Cl)nn1	895107794	OXXWUKHOIZDYSO-UHFFFAOYSA-N	316.699	1.657	50	20	DDGD	
O=C(C[C@@H]1CCCOC1)NNC(=O)c1ccc2c(c1)OCCO2	792892362	AXFCWOXACGSRCK-NSHDSACASA-N	320.345	1.036	50	20	DDGD	
C[C@H](CNC(=O)[C@@H](Br)C(C)(C)C)c1nncn1C	797757816	LLMZWQOGGPRGQY-RKDXNWHRSA-N	317.231	1.844	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CCCCc2cc(C#N)ccc21	794850788	LIEKAKRGGLPAHJ-UHFFFAOYSA-N	312.373	1.630	50	20	DDGD	
COc1ccc(F)c2[nH]c(C(=O)NNc3cnccn3)cc12	793851594	MDOIVVBAJALVJF-UHFFFAOYSA-N	301.281	1.863	50	20	DDGD	
N#CCOc1cccc(CNC(=O)NNc2ccc(F)cn2)c1	1318495486	SHAAMHJSBUBEJL-UHFFFAOYSA-N	315.308	1.949	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2nc(C)sc2C)cc1	1319423346	ZBTJQHMDFZUCMK-UHFFFAOYSA-N	319.386	1.772	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H]2CCCC[C@H]2N(C)C)c1	1328783621	POVBNMYXIIOIOJ-NWDGAFQWSA-N	324.450	1.873	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNc1cncc(Br)c1	1324493372	IAVNFNQLBIYJHU-ZETCQYMHSA-N	315.171	1.202	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)CCCc2ccccc2)nn1C	1254433446	BGTNXPWACGYSJQ-UHFFFAOYSA-N	314.389	1.766	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cccc3c2CCC3)c1Cl	1333507382	ISBZICSWPDIOEL-UHFFFAOYSA-N	303.753	1.958	50	20	DDGD	
C[C@H](O)Cc1cn([C@@]2(Cl)C[C@@H]2CCBr)nn1	1336895228	HHMWBMIVHMVTPG-NRPADANISA-N	308.607	1.898	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNc1nncc(N)c1Cl	1343547752	NHMIXJDHDTZIIF-UHFFFAOYSA-N	322.756	1.571	50	20	DDGD	
Nc1cnnc(NNC(=O)NCC2SCCS2)c1Cl	1261673606	ZSKDQANSISIWKJ-UHFFFAOYSA-N	320.831	1.144	50	20	DDGD	
CN(NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2)C1CC1	1347151710	DOFJODMKLTVEMB-UHFFFAOYSA-N	302.300	1.516	50	20	DDGD	
O=C(NC[C@H](O)CN1CCCCC1)C1CCC(Cl)CC1	1347183889	UYXDFOIFDHCWEP-RUXDESIVSA-N	302.846	1.747	50	20	DDGD	
Cc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1C	1351034084	AIAGNIDGZVXSAQ-SYAUCNOPSA-N	316.401	1.979	50	20	DDGD	
C[C@@H](CC(=O)NNc1cccc(C(=O)O)c1)c1cnn(C)c1	1604067810	DRIQSOOKFHZPTH-JTQLQIEISA-N	302.334	1.755	50	20	DDGD	
Cc1cc(S(=O)(=O)NCCCSC#N)ccc1C(=O)O	1600299269	USUOYBDXSWMWJT-UHFFFAOYSA-N	314.388	1.576	50	20	DDGD	
CC(C)C[C@@H](C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	1603260416	YPTFWBAYLTVDMR-SNVBAGLBSA-N	316.365	1.310	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccccc2-n2ccnn2)nc1	1602382977	MVMZNEMCUCHHNJ-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
CCOCc1nc(C)cc(NNC(=O)C[C@@H](C)CC(=O)O)n1	1605644834	BXFOSRWVHVDXGH-SECBINFHSA-N	310.354	1.266	50	20	DDGD	
Cn1cc2c(n1)CCC[C@H]2C(=O)NNc1ncccc1C(=O)O	1605501293	LBPCBXOCINFDGE-SECBINFHSA-N	315.333	1.077	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)N[C@H]1CC=C(C(=O)O)C1	1601559556	VOHMOZMHQPAMQT-QMMMGPOBSA-N	324.268	1.533	50	20	DDGD	
O=C(O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)NN=c1cc[nH]cc1Cl	1602210966	KKPJHIPFOKWZCC-NGERZBJRSA-N	321.764	1.513	50	20	DDGD	
CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(Cl)Cl	1801015760	ICMUSIOFJWADIC-DOFRTFSJSA-N	323.220	1.180	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)C(=O)O)cc1	1610040992	NTUZCWDCNZRUED-BKLZJWBFSA-N	317.297	1.578	50	20	DDGD	
O=C(NN=C1CCCc2occc21)[C@H]1CN2CCC[C@H]2CO1	1549319014	FVAZOCDMWMJFHS-XHDPSFHLSA-N	303.362	1.299	50	20	DDGD	
Cc1coc(C=NNC(=O)[C@H]2CCCO[C@H]2c2ccnn2C)c1	1550191886	IXQHNPZYEDZNFO-DZGCQCFKSA-N	316.361	1.940	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCCCCN)cc1C	1579727210	HJIRNUUPGLTGSY-UHFFFAOYSA-N	307.394	1.349	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H](C(C)C)[C@@H](C)N	1579310595	SZONMWZVQIRYNG-MFKMUULPSA-N	324.450	1.632	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H](N)CCC(C)C	1579310445	PHNDNBQZEHXTHQ-NSHDSACASA-N	324.450	1.776	50	20	DDGD	
CC[C@@H](NC)C(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	1577172398	XRVXPOSWVJNZEE-JOYOIKCWSA-N	313.785	1.253	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC[C@@H](C(=O)O)C1)c1c[nH]c2ccccc12	1574579105	VAGTUYRRVGBCQT-VHSXEESVSA-N	315.329	1.430	50	20	DDGD	
Br[C@H]1[C@@H]2CN(c3cc(-c4nn[nH]n4)ccn3)C[C@H]12	1588315865	KKTVFRPRHKTBGJ-MBTKJCJQSA-N	307.155	1.091	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN(C)C	1847866756	IPSCBPRDPJRKKV-AVGNSLFASA-N	315.845	1.157	50	20	DDGD	
CC1(C)CO[C@H](CCC(=O)NNc2ccc(C(=O)O)cn2)C1	1593955547	ZJHJEPDLNCZZPM-LLVKDONJSA-N	307.350	1.818	50	20	DDGD	
COc1ccc(C)c(C=NNC(=O)c2cccnc2)c1C(=O)O	1776017564	LHQZMTRDUHDACA-UHFFFAOYSA-N	313.313	1.861	50	20	DDGD	
O=C(NN=Cc1ccc(OC(F)(F)C(=O)O)cc1)c1cc[nH]n1	1776091661	AISBBUWJXVSEIU-UHFFFAOYSA-N	324.243	1.230	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)NC(C)(C)C)c2c(C)noc2n1	12747853	PBDIFJZVGRXKQJ-UHFFFAOYSA-N	321.406	1.747	50	20	DDGD	
O=C(O)c1cccc(S(=O)(=O)NNC(=O)c2ccccc2)c1	13345544	XIXZELGNOYARNN-UHFFFAOYSA-N	320.326	1.008	50	20	DDGD	
C[C@H](CC(=O)NNc1nccn(C)c1=O)c1ccc(F)cc1F	162373200	BNCPTPAJBUHYGA-SECBINFHSA-N	322.315	1.695	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CN2CCC(C)CC2)n1	163906307	MBYJCPVSVYYOIW-UHFFFAOYSA-N	320.441	1.498	50	20	DDGD	
N#CC(C#N)=CNNC(=O)Cc1nc(-c2ccccc2)cs1	153342913	VBYROOFIAABEKF-UHFFFAOYSA-N	309.354	1.904	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H]2CC23CCOCC3)n1	155720139	MRDWCPUVPDPTAX-LBPRGKRZSA-N	319.409	1.583	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)C1=NO[C@@H](c2ccccc2)C1	156317541	FFJKDBXIYTZPMT-LLVKDONJSA-N	323.316	1.314	50	20	DDGD	
CNC(=O)CCCC(=O)NNC(=O)c1ccc(Cl)cc1F	155372935	HXPCSIGDTZANFM-UHFFFAOYSA-N	315.732	1.156	50	20	DDGD	
O=C(NNC(=O)c1cc(C2CC2)on1)c1ccc(Cl)nc1	58382139	ACECQAVNAVYLKA-UHFFFAOYSA-N	306.709	1.675	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NNC(=O)NC1CCCCCC1	101619864	FYQXYHMZUIZICI-UHFFFAOYSA-N	322.365	1.063	50	20	DDGD	
CC1(C)CC(=O)C(=CNNC(=O)Cc2ccncc2)C(=O)C1	178300757	YKFIASURXHJEEJ-UHFFFAOYSA-N	301.346	1.087	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(-c3ccncc3)on2)o1	175826717	BUELYRCBFDBNFY-UHFFFAOYSA-N	312.285	1.713	50	20	DDGD	
COc1ccsc1C(=O)NNC(=O)COc1cccc(C)c1	106009637	LFIVTTXXGDQPAJ-UHFFFAOYSA-N	320.370	1.905	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(c2nc(C)c(C)s2)CC1	178868376	VDBZGNUOOZEOST-JLHYYAGUSA-N	320.418	1.853	50	20	DDGD	
O=C(CCOc1ccccc1F)NNC(=O)NC1CCCC1	65920230	HSSBCSRCCHIUJO-UHFFFAOYSA-N	309.341	1.868	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1cccnc1)N1CCCCCC1	114266236	QYUVJVLNAPQEQA-ZDUSSCGKSA-N	304.394	1.036	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)c1cc(C2CC2)on1	170899397	WZJBFCKSKLYNJB-UHFFFAOYSA-N	324.340	1.968	50	20	DDGD	
Cc1cc(F)c2c(c1)CCCN2CC(=O)NNC(=O)C1CC1	112976869	YQGRDDXDLPOSJI-UHFFFAOYSA-N	305.353	1.444	50	20	DDGD	
CCOCc1ccc(NC(=O)NNC(=O)C2CCOCC2)cc1	1349672394	CPQVEGZDOKDGFD-UHFFFAOYSA-N	321.377	1.802	50	20	DDGD	
Cc1nn(CCC(=O)NNc2ccccc2)c(C)c1[N+](=O)[O-]	111554502	NEQDKZGYACHYRS-UHFFFAOYSA-N	303.322	1.942	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1cnn(-c2ccccc2)c1	64425608	RZUJYPOTVNNXDF-UHFFFAOYSA-N	315.377	1.545	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCO[C@@H](c2cccc(F)c2)C1	171769795	FHAQTOMKQQPZLP-CYBMUJFWSA-N	323.368	1.986	50	20	DDGD	
COc1cc(C)nc(NNC(=O)COc2ccc(F)cc2F)n1	174473211	JQXTUSPSXOIXTB-UHFFFAOYSA-N	324.287	1.594	50	20	DDGD	
COc1ccc(-c2cc(C(=O)NNc3cc(C)ncn3)[nH]n2)cc1	177910244	QJPNPTVSVIPOPN-UHFFFAOYSA-N	324.344	1.941	50	20	DDGD	
CCCC(=O)N1CSC[C@H]1C(=O)NNC(=O)c1ccccc1	66267021	UONTUEFNMKZIPS-LBPRGKRZSA-N	321.402	1.149	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2ccccc2)C1	174368164	ICTCLEXCUUIKNY-CHWSQXEVSA-N	304.346	1.427	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCOC1)c1cccc(Br)c1	174538261	QPOLXHCIQDTTGI-VIFPVBQESA-N	313.151	1.247	50	20	DDGD	
CC1CCN(c2ccc(C(=O)NNc3ncccn3)cn2)CC1	171369082	XAMYLPPWEJESPU-UHFFFAOYSA-N	312.377	1.865	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2cccs2)c1	66696763	DKFIFUDYPGWFBI-UHFFFAOYSA-N	305.359	1.630	50	20	DDGD	
O=C(CCNc1ccccc1)NNC(=O)NCc1ccco1	65176309	NNWGCVIMMVFMHO-UHFFFAOYSA-N	302.334	1.612	50	20	DDGD	
Cc1cc(C)c(NC(=O)NNC(=O)c2cnn(C)c2)c(C)c1	186390683	ACWYCJDJFDKJST-UHFFFAOYSA-N	301.350	1.812	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)c1cnn(-c2ccccc2)c1	72755447	BDWGTVYHQUSGQX-UHFFFAOYSA-N	314.345	1.249	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)Nc2ccnn2C)c1	125537822	MLUBBZDDKADOHV-UHFFFAOYSA-N	317.349	1.269	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNC(=O)c1cc(-c2ccccc2)on1	120158362	GUSNRNORWPPOJM-MRXNPFEDSA-N	317.345	1.654	50	20	DDGD	
CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NNc1ccncc1	183018248	KFBXDFYGNZEIGX-ZDUSSCGKSA-N	304.394	1.952	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	129645807	SNQXEUTWAJCVJP-UHFFFAOYSA-N	307.379	1.882	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCCC(=O)N(C)C)c1ccccc1	73552631	DQOFQOUHDGVLOY-AWEZNQCLSA-N	319.405	1.586	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNC(=O)c2cccnc2)cc1	133677039	OFLMVXATBLKTIU-UHFFFAOYSA-N	313.357	1.829	50	20	DDGD	
COC(=O)NNC(=O)Nc1c(C)cccc1C(=O)N1CCCC1	44142482	QEZUMIXDICOOLM-UHFFFAOYSA-N	320.349	1.624	50	20	DDGD	
O=C(NNc1nc2ccccc2c(=O)[nH]1)c1ccc2c(c1)CCO2	137237035	YZFLZHHOSSBWPQ-UHFFFAOYSA-N	322.324	1.615	50	20	DDGD	
CSC1(C(=O)NNc2cccc(S(C)(=O)=O)c2)CC1	190993314	UTRQTFHSLDAGAT-UHFFFAOYSA-N	300.405	1.429	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)Nc1nccs1	42755677	GYWAWLQGIPYHSU-MRVPVSSYSA-N	324.337	1.902	50	20	DDGD	
O=C(Cc1cccc(F)c1)NNc1nc2ccccc2c(=O)[nH]1	137211543	NYXVBMMKZYHNER-UHFFFAOYSA-N	312.304	1.748	50	20	DDGD	
Cc1nn(-c2ccccc2)c(C)c1C(=O)NNC(=O)c1ccc[nH]1	96950976	JFRPWDPIWOTAFU-UHFFFAOYSA-N	323.356	1.892	50	20	DDGD	
COc1cc(C(=O)NNC(=S)N[C@H](C)C2CC2)ccc1F	268778229	UJIMMEZYVNZYHE-MRVPVSSYSA-N	311.382	1.742	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cccc(Cl)c1)[C@@H]1CCOC1	266546054	KWSMIKUVSGRXDX-GXSJLCMTSA-N	311.769	1.709	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)NC[C@@H]3CC=CCC3)nc21	269423182	PJTXXNOACHXIKF-SECBINFHSA-N	317.353	1.051	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1ccc(C(=O)O)cc1	264163925	UVFOJAVHOWHQHI-UHFFFAOYSA-N	314.363	1.131	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)nc1	368736723	WRKSQFUMVJONNQ-ZDUSSCGKSA-N	313.313	1.315	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N2CCOCC2)cc1C1CC1	278002138	PFTBERNDVXWLMC-UHFFFAOYSA-N	319.361	1.259	50	20	DDGD	
Cc1ccc(F)cc1NC(=O)C(=O)NNC(=O)OC(C)(C)C	274186575	JHYONSMNHMCVMU-UHFFFAOYSA-N	311.313	1.629	50	20	DDGD	
Cn1ccc(NC(=O)NNC(=O)C(C)(C)c2ccccc2)n1	273414741	QNGNCJUHNNENCZ-UHFFFAOYSA-N	301.350	1.551	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(C)c(Cl)c1F	278967850	LCYONTOLZGUCNK-UHFFFAOYSA-N	317.748	1.768	50	20	DDGD	
Cn1cc([C@H](O)CNC(=O)[C@H](Br)C(C)(C)C)cn1	274366183	JRCUBANMOPGESP-ZJUUUORDSA-N	318.215	1.379	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)C1Cc2ccccc2C1)C1CC1	277577060	BOOIIXOMEAVYTQ-SNVBAGLBSA-N	303.431	1.695	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccccc1O)[C@H]1CCCCO1	272167069	YDNLRKDVBGVPLV-GXFFZTMASA-N	307.350	1.294	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)N1CCC[C@@H]1C1CC1	369535057	MOLHPRWTGVEUKA-OAHLLOKOSA-N	317.389	1.818	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H]2CCc3[nH]ncc3C2)c1	270212911	RDIQCFSXRFUMPH-VIFPVBQESA-N	304.325	1.806	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CCCOC1	272679805	YMKRDWJEMMSLRF-INIZCTEOSA-N	320.345	1.036	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H]1CCCc2cn(CCOC)nc21	373387205	ZOELDTKKWSGEOD-JWAFFJSPSA-N	318.377	1.467	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2ccnn2C(C)C)cc1	275723578	OMRRUXCVZLEVJO-UHFFFAOYSA-N	317.349	1.554	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NNc1ncccc1F	285825696	CEUHOTAAUWRPER-UHFFFAOYSA-N	312.345	1.969	50	20	DDGD	
CC(C)(O)CC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	283629807	BJTOLMZLGVWHTB-UHFFFAOYSA-N	317.292	1.602	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cc2c(cc1C)OCO2	281209730	SLWWEMGJOVPEPE-QMMMGPOBSA-N	314.363	1.079	50	20	DDGD	
O=C(NC[C@H]1COC2(CCCC2)O1)NNc1ncccc1F	286888007	LUNDWQYNGGOTIA-JTQLQIEISA-N	310.329	1.533	50	20	DDGD	
COCCOc1ccc(CNC(=O)NNC(=O)CC(C)C)cc1	298673830	MZIVTBOQXUBDSX-UHFFFAOYSA-N	323.393	1.588	50	20	DDGD	
O=C(CCc1ncc[nH]1)NNc1ccc(Br)nc1	806847044	HRBBFJRWRVCUJD-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc3c([nH]2)CCCC3)n1	295251967	KBYXGJKJNOOZBJ-UHFFFAOYSA-N	301.350	1.757	50	20	DDGD	
C=C(CBr)CN1CCC[C@@H](n2cc(CO)nn2)C1	292846632	BNSHFBFZIFYSGF-GFCCVEGCSA-N	315.215	1.358	50	20	DDGD	
CC[C@H](O)CNS(=O)(=O)c1ccc(CCCCl)cc1	292060626	OSTPCLIXEAWQFJ-LBPRGKRZSA-N	305.827	1.907	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc3c(s2)CCOC3)O1	294209777	LORHQQDOZGSUOT-WPRPVWTQSA-N	310.375	1.149	50	20	DDGD	
C[C@@H](OCc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCCCO1	295679249	XWHQIOOAOVDUTB-RISCZKNCSA-N	324.352	1.447	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2nccnc2N)c(Cl)c1	802049184	ACCGCPPKPJFBCW-UHFFFAOYSA-N	320.740	1.487	50	20	DDGD	
CCO[C@@H](C)C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	298506342	NHIARFNOTWWLND-QWHCGFSZSA-N	308.378	1.643	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@@H]2CCCO2)cccc1[N+](=O)[O-]	292770694	LCBXGJDCVWOAEE-NSHDSACASA-N	308.294	1.235	50	20	DDGD	
CC(C)n1nc(C(=O)NNC(=O)C(F)F)c2ccccc2c1=O	298284449	BYRRELLVKGNSAI-UHFFFAOYSA-N	324.287	1.004	50	20	DDGD	
COC(=O)c1cc(OC(=O)COC(F)F)ccc1[N+](=O)[O-]	808401568	JJFXWGNMYFNMNV-UHFFFAOYSA-N	305.189	1.526	50	20	DDGD	
N#CCOc1ccc(CC(=O)NNc2cccc(F)n2)cc1	804767631	RNDPEQPMSPDILZ-UHFFFAOYSA-N	300.293	1.809	50	20	DDGD	
N#CCCC[C@@H](N)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	818066147	SFRASXCWFXQOOA-SECBINFHSA-N	311.729	1.712	50	20	DDGD	
O=C(CCn1ccc2cc(Cl)ccc21)NNc1nc[nH]n1	816632659	SRDPUNPSERTODT-UHFFFAOYSA-N	304.741	1.946	50	20	DDGD	
O=C(NNc1ncncc1F)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42	817080779	DLRYIJUNPJFONK-YHNJSNKWSA-N	300.337	1.453	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H]1CCCCCC(=O)C1	813505764	YVEFQZDJSIMRJJ-SNVBAGLBSA-N	317.480	1.384	50	20	DDGD	
CSC(C)(C)CC=NNC(=O)c1ccc(-n2cnnn2)cc1	814755430	AAOGWOMJRFSVNN-UHFFFAOYSA-N	318.406	1.910	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cnn3c2OCCC3)c1	816016812	CBRQWXGZOGWMGC-UHFFFAOYSA-N	316.317	1.209	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=CC[C@@H]1CCCCC12OCCO2	815002281	SVXJCXQZJLGLOT-ZDUSSCGKSA-N	318.377	1.934	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H](C)Cc1cnc2ccccc2n1	815115201	QTUHVZDKARANEP-SNVBAGLBSA-N	301.350	1.159	50	20	DDGD	
CCC(=NNC(=O)CNC(=O)c1ccco1)c1ccc(F)cn1	814827105	UVKMVGNQHRDFMI-UHFFFAOYSA-N	318.308	1.474	50	20	DDGD	
N#C[C@H]1CCCC(=NNC(=O)c2ccc(-n3cnnn3)cc2)C1	814756337	MNVYWNUQKBBUHN-NSHDSACASA-N	309.333	1.462	50	20	DDGD	
Cc1nnc(NNC(=O)c2ccc3ccccc3c2O)nc1O	817282154	CXPRKGKVVWEBEX-UHFFFAOYSA-N	311.301	1.501	50	20	DDGD	
Cn1nncc1NNC(=O)C(C)(C)c1ccc2c(c1)OCCO2	816771056	WLQFOCSWNNLMLK-UHFFFAOYSA-N	317.349	1.007	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(F)c(C(=O)NN(C)[C@H](C)CO)c1F	823922288	JPWMNPHZKQOEIN-SSDOTTSWSA-N	303.265	1.139	50	20	DDGD	
COCCCNC(=O)NNC(=S)Nc1ccc(Cl)nc1	727085294	QQSFZPSUVQGYIM-UHFFFAOYSA-N	317.802	1.272	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1O	826281735	HSMIQMSNLVJGSQ-UHFFFAOYSA-N	310.317	1.638	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1C[C@H](C)O[C@H](c2ccccc2)C1	827491314	KDPNLGSRZNBNIC-ZFWWWQNUSA-N	319.405	1.252	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NC1CCC2(CC1)OCCO2	728745147	WLZPIQCGDANQKF-UHFFFAOYSA-N	313.398	1.439	50	20	DDGD	
O=C(CN1CCCC1)NNc1nnc(-c2ccccn2)s1	822348766	PDMRRSSPAWLGKI-UHFFFAOYSA-N	304.379	1.139	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1ccc(-c2nn[nH]n2)s1	823115158	LUYXSDNADPAKNP-UHFFFAOYSA-N	313.346	1.016	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C[C@@H](n1cccn1)C(F)(F)F	822253075	RTAVLKBXROUUFE-MRVPVSSYSA-N	306.288	1.570	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)Cc1csc(-c2cccnc2)n1	823982550	AJUSJVPMCKMJIG-SNVBAGLBSA-N	306.391	1.091	50	20	DDGD	
Cc1cccnc1NNC(=O)/C=C\CN(C)CC(F)(F)F	492923438	LYKXOBAFWCGFIO-XQRVVYSFSA-N	302.300	1.883	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2CCN(C(C)(C)C)C2=O)nc1	827081147	UYOQJUWRSLUGSQ-LLVKDONJSA-N	321.381	1.116	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(CNC(=O)OC)cc1	494573801	UTRURUJKSJMKJR-UHFFFAOYSA-N	310.310	1.325	50	20	DDGD	
CC(=O)c1cccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1	824030220	ZUIVFFHDMVKKRX-UHFFFAOYSA-N	322.328	1.826	50	20	DDGD	
O=C(CSC(F)F)NNC(=O)c1ccc2ccccc2n1	726717212	NXEHOVLKFOEDDU-UHFFFAOYSA-N	311.313	1.952	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2scnc2c1	823476489	ZHLIMFRNSIVRAD-PSASIEDQSA-N	305.359	1.482	50	20	DDGD	
CCN(CCO)NC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C	823852570	JTYHRRNPOYPGRF-GFCCVEGCSA-N	315.414	1.121	50	20	DDGD	
CC(=NNC(=O)Cc1cccnc1)c1ccc2c(c1)OCCO2	728784920	XIRISRBGUVCKAA-UHFFFAOYSA-N	311.341	1.936	50	20	DDGD	
CC(C)NC(=O)NNC(=O)Cc1cccnc1Br	822844666	QGCQSZWABMSITF-UHFFFAOYSA-N	315.171	1.125	50	20	DDGD	
CNC(=O)/C(C#N)=C\c1ncc(I)s1	490943709	SSAPQNDZEFHRHR-DJWKRKHSSA-N	319.127	1.401	50	20	DDGD	
CC[C@@H](C)N1CCN(C(=O)/C(C#N)=C\c2cnn(C)c2)CC1	491163251	VTQQEOJDXSYMCB-MLJKTZRHSA-N	301.394	1.270	50	20	DDGD	
CNc1ccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)cc1F	824328770	XYBGCVXDBOSYCQ-QMMMGPOBSA-N	310.398	1.775	50	20	DDGD	
O=C(c1ccccc1OC(F)(F)F)N1CC[C@@H](B(O)O)C1	585065694	JMFGVSCXFYORNK-MRVPVSSYSA-N	303.045	1.274	50	20	DDGD	
COc1ccccc1S(=O)(=O)NNC(=O)OC(C)(C)C	490539873	MWKVUYYORJGRGF-UHFFFAOYSA-N	302.352	1.413	50	20	DDGD	
COc1ccc2c(c1)CCC[C@@H]2NCc1ccc(B(O)O)o1	585019871	SZVAIZIZZXRNCH-HNNXBMFYSA-N	301.151	1.135	50	20	DDGD	
CC1(C)COCCN1CCNC(=O)[C@@]1(C)C[C@H]1Br	906555476	MYTXAPURDYSDBF-MFKMUULPSA-N	319.243	1.387	50	20	DDGD	
O=C(NC[C@H]1CCCCC(F)(F)C1)c1cccc(B(O)O)c1	584992009	ITRNLTVBRZUXCJ-NSHDSACASA-N	311.137	1.312	50	20	DDGD	
CC1(C)CCC[C@@H]1CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1	838626379	VIZBQRNXDDRDES-BXUZGUMPSA-N	317.455	1.194	50	20	DDGD	
CCC(C)(C)OCCNC(=O)NNc1ncncc1Cl	836688835	ABTPMQBASPXSJF-UHFFFAOYSA-N	301.778	1.961	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	839748164	IDNFLIBILCHPEI-MRVPVSSYSA-N	313.285	1.766	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCCO1)c1ccc(-n2cnnn2)cc1	834989760	UXBSULDFKXSTGL-AWEZNQCLSA-N	314.349	1.072	50	20	DDGD	
Cc1ccc(C(C)(C)CNC(=O)c2ccc(B(O)O)cc2)cc1	584944768	WELAYQZISYORMM-UHFFFAOYSA-N	311.190	1.382	50	20	DDGD	
COc1ccc(C=NNC(=O)C2CCCC2)cc1-c1nn[nH]n1	737081681	RHVYZTNBLOHURF-UHFFFAOYSA-N	314.349	1.516	50	20	DDGD	
OB(O)[C@H]1CCN(Cc2c(F)cccc2OC(F)(F)F)C1	585077555	VSSHHOSEMOKIHI-QMMMGPOBSA-N	307.052	1.773	50	20	DDGD	
OB(O)c1ccc(CNCCCc2ccc(Cl)s2)cc1	585036979	PXMGMFXDIHQJNV-UHFFFAOYSA-N	309.627	1.804	50	20	DDGD	
C=CCOCCNC(=O)NNc1ccc(C(=O)OC)cc1F	838542865	UVEXEBPDLRDFCM-UHFFFAOYSA-N	311.313	1.441	50	20	DDGD	
C[C@@H]1CCC[C@@H](OCC(=O)NNc2ccc(C(=O)O)cn2)C1	833609796	SMABRKOAXTZVMQ-ZYHUDNBSSA-N	307.350	1.818	50	20	DDGD	
COC(=O)[C@@H](NS(=O)(=O)CCl)c1cc(F)ccc1F	830357718	VSUXNJLIEINIBD-VIFPVBQESA-N	313.709	1.295	50	20	DDGD	
CCOCc1cc(C=NNC(=O)c2cnn(C)c2)ccc1OC	735413887	UKSACLSQDOTBFS-UHFFFAOYSA-N	316.361	1.729	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)Cc1ccc(OC)cc1OC	732196987	JFXUDFBVGJERQF-LLVKDONJSA-N	323.393	1.082	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C(C)(C)NC(C)=O)c1ccccc1	731998193	ZKFSINVXCNHUJW-ZDUSSCGKSA-N	305.378	1.242	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccccc2NC(=O)O)n1	831972975	UYBSKSPYSMICOE-UHFFFAOYSA-N	317.305	1.640	50	20	DDGD	
CCOC(=O)[C@H](C)CNS(=O)(=O)c1ccc(CCl)cc1	914254481	KOJGXQQIURKECZ-SNVBAGLBSA-N	319.810	1.903	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccc(C#N)cc1)C1CCCC1	839460053	BYNWFVXJSLDQNC-UHFFFAOYSA-N	300.362	1.194	50	20	DDGD	
Cc1nc(CCOC(=O)/C(C#N)=C\c2cnn(C)c2)cs1	837971451	OLLARSNMEXWSDX-XGICHPGQSA-N	302.359	1.878	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1cn2ccccc2n1	918711431	MKVNEIDDSVKBQA-AWEZNQCLSA-N	313.405	1.906	50	20	DDGD	
CCC1(CC)[C@H](NC(=O)NNC(=O)c2ncccn2)C[C@H]1OC	841582123	PCQHZELUUVFIPC-GHMZBOCLSA-N	321.381	1.014	50	20	DDGD	
COc1cc(NC(=O)c2ccco2)c(C(=O)NN)cc1OC	916665498	AUCCXZGLYIODTK-UHFFFAOYSA-N	305.290	1.153	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1ccc([N+](=O)[O-])o1	918693042	VSHSJNXYYICLHO-UHFFFAOYSA-N	304.262	1.963	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCc1ccccc1C(F)(F)F	910182070	HMCGBAFVYPYHQD-SNVBAGLBSA-N	304.312	1.982	50	20	DDGD	
CS[C@@H]1CC[C@H](NC(=O)NNC(=O)Cc2cccnc2)C1	743589419	UPSKUUJLEKORIM-NWDGAFQWSA-N	308.407	1.239	50	20	DDGD	
C[C@@H]1Cc2ccccc2CN1C(=O)NNC(=O)c1ncccn1	841591747	FOFYWJIEPMFQSR-LLVKDONJSA-N	311.345	1.278	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)C(=O)NC2CC2)cc1OC	744823747	DBLKJHAKRLCPPV-UHFFFAOYSA-N	319.361	1.213	50	20	DDGD	
CCc1c(C(=O)NNC(=O)CC(F)(F)F)[nH]c(C)c1C(C)=O	918366988	HTIFXBVEMAJKER-UHFFFAOYSA-N	319.283	1.802	50	20	DDGD	
Cn1ccc(CNC(=O)NNC(=O)COc2ccc(F)cc2)c1	747955616	ROKPFOAIQURBNA-UHFFFAOYSA-N	320.324	1.074	50	20	DDGD	
CC(C)(C)c1cnc(NC(=O)NNC(=O)c2ncccn2)s1	841661494	HYPIMAHVPNPNLC-UHFFFAOYSA-N	320.378	1.697	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1scnc1C1CCCC1	843657456	PGXSQWHPMWNXKL-KOLCDFICSA-N	323.418	1.987	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)C(=O)C(C)(C)C)cc1	746098422	YQGRMFGFPYOJCS-UHFFFAOYSA-N	308.403	1.850	50	20	DDGD	
O=C(NC[C@@H]1NCCc2ccccc21)NNC(=O)C1CCC1	841994340	DDRZMNVVPGPGDN-AWEZNQCLSA-N	302.378	1.004	50	20	DDGD	
CS[C@H](C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccccc1	843650947	IWXWIHGWUWFFHQ-WXHSDQCUSA-N	308.403	1.663	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2ccc(O)nn2)cc1C	913434302	DUHOFZVQUYNQAB-UHFFFAOYSA-N	317.374	1.430	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccsc1NC(=O)c1ccco1	910168321	SBSUKPBHOXUUBH-VIFPVBQESA-N	323.374	1.551	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@@]1(Cl)C[C@H]2CC[C@H]1O2	911419649	IXDZIFURWYEHSV-HCVRKRLWSA-N	300.664	1.015	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@@H]2CS[C@@H](C)C2)cc1	840413261	GAAMCWQODLDRTG-ONGXEEELSA-N	324.406	1.925	50	20	DDGD	
C[C@H]1C[C@@H]1c1ccc(C=NNC(=O)Cc2cc(O)nc(O)n2)o1	743447900	RNXXPSCVGCQBJE-KWQFWETISA-N	316.317	1.297	50	20	DDGD	
COc1cc(F)cc(NNC(=O)Cn2nnc3c2CCCC3)c1	847603301	RVVSQZSRXVRLMY-UHFFFAOYSA-N	319.340	1.448	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)N[C@H]2CCNC2)cc1	841938725	HIBIDCBUQABUQU-ZDUSSCGKSA-N	304.394	1.290	50	20	DDGD	
Cc1noc(Cl)c1CCC(=O)NNC(=O)CC(F)(F)F	744326298	IRCLFVASBOUUOW-UHFFFAOYSA-N	313.663	1.669	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC[C@@H](N)C(C)C)c(F)c1	841944606	MGRVQIBSRUKRSC-LLVKDONJSA-N	312.345	1.222	50	20	DDGD	
CN1CCN(Cc2ccc(OCCCCl)cc2)[C@@H](CN)C1	843122301	QJHRLMAEIYNVML-HNNXBMFYSA-N	311.857	1.769	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1	841323389	JQMJWXIRTHHAGH-UHFFFAOYSA-N	304.272	1.727	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cccc(OC)c1O	740762349	MRUUTCWLWDXZQX-UHFFFAOYSA-N	307.350	1.156	50	20	DDGD	
Cc1c[nH]cc1C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	916736227	ANFAUUCHVHTNSL-UHFFFAOYSA-N	309.329	1.788	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C)C1CC1	849226950	QEKOQZWONFGAII-JTQLQIEISA-N	312.414	1.058	50	20	DDGD	
C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NNC(=O)c1ccccn1	747348460	LMGMMMKPGOAONQ-SJKOYZFVSA-N	313.357	1.397	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNc1ncc(Br)cn1	848320425	RZDJLWJUYGHWRY-QMMMGPOBSA-N	303.160	1.497	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)Cc2cc(C)no2)cc1	846376065	QWFNRYNGYURNHH-UHFFFAOYSA-N	303.318	1.384	50	20	DDGD	
O=C(Cc1ccncc1)NN=Cc1ccc(-n2cccn2)cc1	747642188	PEXBPSIHSLZCIW-UHFFFAOYSA-N	305.341	1.960	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H]2CCc3cncn3C2)c1	844135712	UJRWWOMRLJMHLW-JTQLQIEISA-N	304.325	1.737	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc(OC)c(O)c1	740762134	BFTVQAUCUSNRSC-UHFFFAOYSA-N	307.350	1.156	50	20	DDGD	
C#CC1CCN(C(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)CC1	844048532	MDPISOOAXAVKQE-SXGWCWSVSA-N	306.369	1.984	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C[C@H]1C(=O)Nc2c(F)cccc21	929794116	XUQSFGNZLLJLGI-SNVBAGLBSA-N	307.325	1.445	50	20	DDGD	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NN=C[C@H]2C[C@@H]2C)cc1	758367595	NLNCLTNONUXKKE-QWHCGFSZSA-N	323.418	1.374	50	20	DDGD	
COc1cccc2[nH]c(C(=O)NNC(=O)C3CCOCC3)cc12	923053988	GXUCMEALAKBLJS-UHFFFAOYSA-N	317.345	1.364	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H](C)N(C)C)c1C	750015576	DINFGZCETFFFBX-QWHCGFSZSA-N	307.394	1.168	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNC(=O)COc1ccccc1OC	858126756	IPHZDUPNKPZPDN-AWEZNQCLSA-N	324.377	1.427	50	20	DDGD	
C[C@]1(CNC(=O)NCC2(O)CCCC2)C[C@@H]1Br	856956800	VEOVGFIUGQJHBI-GXSJLCMTSA-N	305.216	1.764	50	20	DDGD	
CC[C@H]1CCCC[C@H]1OCC(=O)NNC(=O)c1cccc(F)n1	856422836	DVWUFMYYZFPESI-WCQYABFASA-N	323.368	1.967	50	20	DDGD	
C[C@@](O)(Cc1ccccc1)C(=O)NNC(=S)NCC1CCC1	855091450	QPAOAPJYLKZNLX-MRXNPFEDSA-N	321.446	1.276	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)CCOc2ccccc2)c1Cl	857442981	CWTJAFPFKJETLG-UHFFFAOYSA-N	322.752	1.304	50	20	DDGD	
Cn1nncc1NNC(=O)[C@H]1CC(C)(C)Oc2ccccc21	857270801	OZYKAYHGRHVTFD-NSHDSACASA-N	301.350	1.603	50	20	DDGD	
O=C(C[C@@H]1CCCCO1)NNC(=O)c1cc2c(s1)CCC2	755047037	WJXDWCSTJBOEKY-NSHDSACASA-N	308.403	1.957	50	20	DDGD	
CNC(=S)N(C)NC(=O)C[C@H](NC(C)=O)c1ccc(C)cc1	854927809	HZTNDWYGZBGLMT-ZDUSSCGKSA-N	322.434	1.030	50	20	DDGD	
Cc1ccc(NNC(=O)CCC(=O)N2CCOCC2)cc1F	856232701	WFMKONVNTFJHMC-UHFFFAOYSA-N	309.341	1.216	50	20	DDGD	
CCCn1nccc1C=NNC(=O)Cc1nc2ccccc2n1C	853270658	GRGLNEFTZQFDBT-UHFFFAOYSA-N	324.388	1.873	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)C1CCOCC1	755888567	GPKOTMADXAMSHB-UHFFFAOYSA-N	309.391	1.397	50	20	DDGD	
CCO[C@H](CC(=O)NN(C)C(=S)NCCCOC)C(C)C	854282741	SDLCCBAAQKZOII-GFCCVEGCSA-N	319.471	1.312	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)N[C@H]1C[C@@H]2CCCCN2C1=O	922817385	NHMXRQAMDMMJRE-GWCFXTLKSA-N	324.331	1.744	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccnc(Oc2ccccc2)c1	756636967	YDSXHIAFSWXVPU-UHFFFAOYSA-N	302.290	1.019	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)C(C)(C)C)c1ccccn1	853410534	QNBMFEGOSGADID-UHFFFAOYSA-N	304.394	1.864	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cnc3n2CCC3)c(OC)c1	853304517	PXEITAHPEAMIHE-UHFFFAOYSA-N	314.345	1.610	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2c(F)cc(C#N)cc2F)n1	755818359	IGXZXDZBJZNKGB-UHFFFAOYSA-N	318.287	1.449	50	20	DDGD	
O=C(NNc1ccncn1)c1ccc(OCC(F)(F)F)nc1	857520372	VQZYAIGOWDVNSJ-UHFFFAOYSA-N	313.239	1.570	50	20	DDGD	
CC(C)[C@@H]1C[C@H](C(=O)NNC(=O)Cc2ccc(F)cc2)CCO1	929331866	YAHVHKZQCDOYFZ-HIFRSBDPSA-N	322.380	1.967	50	20	DDGD	
CCc1[nH]nc(C(=O)NNc2cccnc2Cl)c1[N+](=O)[O-]	754485391	JTPHFOHZYVEJEX-UHFFFAOYSA-N	310.701	1.686	50	20	DDGD	
CN(CCNC(=O)NNc1ccc([N+](=O)[O-])cc1F)C1CC1	853721599	HHSJCVOMJOORFO-UHFFFAOYSA-N	311.317	1.454	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cnc2[nH]nnc2c1)c1ccccc1	755310982	WYAHRSCRQGQBHL-GFCCVEGCSA-N	324.344	1.308	50	20	DDGD	
COc1cc(C)c(C=NNC(=O)CN2CCCC2=O)cc1OC	751519795	CGKXKOGUGMUHJT-UHFFFAOYSA-N	319.361	1.085	50	20	DDGD	
Cc1onc(CC(=O)NC[C@]2(C)C[C@H]2Br)c1C#N	857735155	XTKIRCSNBHLSHK-PWSUYJOCSA-N	312.167	1.687	50	20	DDGD	
CCC[C@H](O)CC(=O)NNC(=O)COc1cc(C)ccc1C	750050645	FKVZOSUOKFEBCB-ZDUSSCGKSA-N	308.378	1.381	50	20	DDGD	
CC1(C)C[C@@H]1C(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1	751799536	YYPURTCUNWDYCG-LLVKDONJSA-N	324.764	1.690	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccc(-n2cccc2)nc1	753329979	ULGSOGHZXVUWDP-UHFFFAOYSA-N	312.251	1.586	50	20	DDGD	
C[C@]1(CNC(=O)NCC(F)(F)CO)C[C@@H]1Br	856952976	NIVUQJKRWLEQMD-POYBYMJQSA-N	301.131	1.087	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(C(=O)OC)c(F)cc1F	755850802	ZQUHXDUKURUFLF-UHFFFAOYSA-N	301.249	1.314	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)C1CC1	855830642	NBDZDFMXDWFBDN-KHPPLWFESA-N	309.410	1.433	50	20	DDGD	
CC(C)[C@H]1C[C@@H](NC(=O)NNc2ncc(Cl)cn2)CCO1	856882416	TXGBCXYYXNIZPH-WDEREUQCSA-N	313.789	1.960	50	20	DDGD	
CC(C)C1(C(=O)NNC(=O)CCCc2ccccc2)COC1	931782670	NFPPSPRGRFGEQA-UHFFFAOYSA-N	304.390	1.829	50	20	DDGD	
CCc1ccc(CCC=NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1	758099441	LGJYKSACFJAAMT-HNNXBMFYSA-N	322.430	1.718	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=Cc1cc(F)cc(F)c1	755618558	LWQSOMYNPAERBC-UHFFFAOYSA-N	324.312	1.442	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnc(O)c(C(F)(F)F)c1	935291694	WYUWJIRLKDVENN-UHFFFAOYSA-N	306.244	1.112	50	20	DDGD	
CC(C)(C)Oc1ccc(CNCc2ccc(B(O)O)cc2)cc1	863889110	QYFYTMDPGKPERR-UHFFFAOYSA-N	313.206	1.834	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cccc(OCCCOC)c1C	930791199	JKXVGHXKDCFLOB-UHFFFAOYSA-N	323.393	1.764	50	20	DDGD	
CCN(CC(=O)NN[C@H](C)C(F)(F)F)C(=O)OC(C)(C)C	862313475	IEDBUQIXMIKVFF-MRVPVSSYSA-N	313.320	1.815	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNCC(F)(F)C(F)(F)F)C1	863098214	YSUMAEUYKJYRFL-ZETCQYMHSA-N	317.258	1.063	50	20	DDGD	
C[C@@H](Cc1cnc[nH]1)C(=O)NNC(=O)CCc1ccccc1O	863865868	DCIXUODKZODNAO-NSHDSACASA-N	316.361	1.074	50	20	DDGD	
COc1cc(Br)c(C=NN(C)C(N)=O)cc1OC	767903835	JPVACPVZWMMNAT-UHFFFAOYSA-N	316.155	1.811	50	20	DDGD	
CC(CCc1cccc(F)c1)=NNC(=O)CS(C)(=O)=O	863188222	QMIPVZVMNDCOTR-UHFFFAOYSA-N	300.355	1.295	50	20	DDGD	
O=C(NNc1cccc(F)c1Cl)[C@H]1CCc2nnnn2CC1	862508362	QZEFAOSVAPRIBG-QMMMGPOBSA-N	324.747	1.561	50	20	DDGD	
C[C@H](NNC(=O)Cn1cc(-c2ccccc2)nn1)C(F)(F)F	862314434	BBAUJSQXMKEJSR-VIFPVBQESA-N	313.283	1.517	50	20	DDGD	
CCO[C@@H](CC(=O)NNC(=O)Cn1nc(C)cc1C)C(C)C	760291496	IVOBEVOOKMFCRB-ZDUSSCGKSA-N	310.398	1.099	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@H]2COCO2)cc1	861964323	HSSFFIBRWJCUBB-COSNYCCFSA-N	302.330	1.481	50	20	DDGD	
COc1ccc(COCC(=O)NNc2nccnc2OC)cc1	764482252	QLBGCJYLKZOCFQ-UHFFFAOYSA-N	318.333	1.154	50	20	DDGD	
CCc1c(C(=O)NNC(=O)C(C)(C)O)cnn1CCC(C)C	768246840	ZVEMEYHVEYADRY-UHFFFAOYSA-N	310.398	1.024	50	20	DDGD	
COCC(=O)NNC(=O)N[C@](C)(c1ccccc1)C(F)(F)F	933410632	PKVIAQCTILXGLX-GFCCVEGCSA-N	319.283	1.441	50	20	DDGD	
C[C@H](NNC(=O)c1cnnn1-c1cccc(F)c1)C(F)(F)F	862316683	FTNKXFNIJAQKKZ-ZETCQYMHSA-N	317.246	1.592	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1csc(C=O)c1	766662527	LRRYXSWSJRDTPD-UHFFFAOYSA-N	324.383	1.721	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=S)NCCc1cccs1	864662335	ASQAFUWVODXLGV-UHFFFAOYSA-N	315.464	1.601	50	20	DDGD	
C[C@@H]1CCN(S(=O)(=O)CC(C)(C)CCl)CC[S@@]1=O	867191235	LVWPONJVWHLFQK-QGHHPUGFSA-N	315.888	1.424	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H](CC)NC(C)=O)cc1C	868485906	FNDBJXAJVRVSRZ-CQSZACIVSA-N	321.377	1.530	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNCC(F)(F)C(F)(F)F)c1	863092940	QJFNSCQOVUFJCP-UHFFFAOYSA-N	311.210	1.218	50	20	DDGD	
OB(O)c1ccccc1CNc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	863891041	JDPBQLMMEKYODR-KSSFIOAISA-N	322.217	1.967	50	20	DDGD	
CC(=O)N[C@H](CC(C)C)C(=O)NNc1cc(Cl)nc(C)n1	862012719	LBJKWUDKHXBBPJ-SNVBAGLBSA-N	313.789	1.432	50	20	DDGD	
Cc1cccc(CO[C@H](C)C(=O)NNC(=O)NCC2CC2)c1	865015701	HKSOSUWJDYTYQC-GFCCVEGCSA-N	305.378	1.641	50	20	DDGD	
CC(C)(CC(=O)NNC(=O)c1cn[nH]c1)c1ccc(F)cc1	869384906	HCUJDDFKDAPOHS-UHFFFAOYSA-N	304.325	1.678	50	20	DDGD	
O=C(Cc1ccncc1)NN=Cc1cncc(Br)c1	767385995	QCIHHUNTPMKPEB-UHFFFAOYSA-N	319.162	1.932	50	20	DDGD	
CCc1nc(NC(=O)C(=O)NNc2cccc(C)n2)sc1C	861960739	RCKCBHWDJDOHDV-UHFFFAOYSA-N	319.390	1.799	50	20	DDGD	
Cc1c(CC(=O)N(C)NC(=O)OCc2ccccc2)cnn1C	862288486	MPWMTDABUYZUNC-UHFFFAOYSA-N	316.361	1.571	50	20	DDGD	
CN(C)c1ncccc1C=NNC(=O)COc1ccccc1F	1117482262	UBSVYIIGODLFHI-UHFFFAOYSA-N	316.336	1.816	50	20	DDGD	
O=C(/C=C/[C@@H]1CCOC1)NNC(=O)c1nc2ccccc2s1	874914434	WXIIVUUGLBTZQA-BRAIEQGRSA-N	317.370	1.650	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2c3c[nH]nc3CC[C@H]2C)n1	879829492	RKSOWIOZTIFBLJ-OTYXRUKQSA-N	313.361	1.240	50	20	DDGD	
O=C(NC[C@H]1COCCO1)NNc1cccc(F)c1Cl	875129521	QPVMCHFRLFJGJW-QMMMGPOBSA-N	303.721	1.521	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H]1CCCN1C	873770024	WWQCOWACJHIBNS-NSHDSACASA-N	308.407	1.107	50	20	DDGD	
C[C@H]1CCc2nc(C=NNC(=O)C[n+]3ccccc3)sc2C1	1117702077	LILSZQXYDOEVST-LBPRGKRZSA-O	315.422	1.706	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)c2cnn(C)c2C)cc1OC	778533129	HDUKGZLTCHOCNW-UHFFFAOYSA-N	316.361	1.900	50	20	DDGD	
C#CCOc1ccc(C(C)=NNC(=O)COCCOC)cc1	872402830	LMZDHFYHOMAPNN-UHFFFAOYSA-N	304.346	1.202	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@H](C)C(=O)NNc1ccc(F)cn1	874649983	MMPAIARQFMQDCP-VIFPVBQESA-N	305.357	1.893	50	20	DDGD	
COc1cccc(NNC(=O)NCCOc2ccc(F)cc2)n1	779973712	TVENFGVSIHGHSN-UHFFFAOYSA-N	320.324	1.934	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H](C)CN2CCOCC2)ccc1F	1116374260	WRZOZGVEAUKLCW-GFCCVEGCSA-N	323.368	1.253	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)n1	875658589	ZCIADFMSQRVLNX-VXGBXAGGSA-N	303.366	1.170	50	20	DDGD	
CC(C)Oc1ccc(S(=O)(=O)NNC(=O)C(C)(C)C)cn1	872340131	MYXIJHFHMOOEIV-UHFFFAOYSA-N	315.395	1.224	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H]2CC[C@H]1C2	771966052	YDMPHQNAIOVPBO-ZDEQEGDKSA-N	310.394	1.548	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NO[C@H]1CCCCO1	776225691	DXKVDZUKVYAPTL-LBPRGKRZSA-N	309.322	1.097	50	20	DDGD	
COCCOCC(=O)NN=C1CCSc2ccc(F)cc21	872403928	YRGUQYNWXMQFSB-UHFFFAOYSA-N	312.366	1.805	50	20	DDGD	
O=C(CC1(C(=O)O)CCC1)NNC(=O)c1cccc(Cl)c1	872830896	AORPXBXDYLVOOL-UHFFFAOYSA-N	310.737	1.746	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)C(=O)C(C)(C)C	873770019	WQOPGVXASWPALF-UHFFFAOYSA-N	309.391	1.628	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@H](C)c1ccccc1F	772074308	FTCGEIKLINSCAR-WDEREUQCSA-N	324.352	1.808	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(c2ccccc2F)CC1	772139534	NMGCPHKBQQZMKR-JTQLQIEISA-N	322.336	1.346	50	20	DDGD	
CS(C)(=O)=Nc1ccc(NC(=O)NNC(=O)CC2CC2)cc1	888239636	RFLZISJOLQHESM-UHFFFAOYSA-N	324.406	1.999	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@@H](O)Cc1ccccc1Cl	776119660	JPTPJSMFPZTDGD-VIFPVBQESA-N	324.686	1.343	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@]1(C)CCOC1=O)c1ccccc1	1123767622	TVCZTHRIZPMIJN-BLLLJJGKSA-N	319.361	1.216	50	20	DDGD	
CCCN(C(=O)/C(C#N)=C/c1cnn(C)c1)[C@@H](C)C(=O)OC	888608872	SNESJKLQQQSRTP-DELQEKLWSA-N	304.350	1.127	50	20	DDGD	
COC[C@@H](NC(=O)NNc1cccc(C#N)c1)[C@H]1CCCO1	789337108	YPMDYYZNLZVXFG-ZIAGYGMSSA-N	304.350	1.378	50	20	DDGD	
CC1(C)C[C@@]1(C(=O)NNC(=O)c1cccnn1)c1ccccc1	882055828	GUPDREDGKZWZDL-KRWDZBQOSA-N	310.357	1.606	50	20	DDGD	
CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N1CC=C(C#N)CC1	780689270	WAGJWAASZGDTKJ-ZDUSSCGKSA-N	306.410	1.791	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N2CCC[C@H](CF)C2)cc1	883461172	OZVLDNZPGNKMFI-GFCCVEGCSA-N	304.325	1.594	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNc1c(F)cc(F)cc1F	885153282	FDHHSGLMTZNJGY-UHFFFAOYSA-N	303.284	1.709	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NC[C@@H]1CCC=CO1	780738032	YRRJKBJWUKABCF-LBPRGKRZSA-N	307.325	1.391	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H]1CC[C@@H]2SCCS[C@H]21	882030450	TVWZJAMVXSUFGQ-UTLUCORTSA-N	315.913	1.914	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NCC(C)(C)C#N	781956609	ZSZGQOCTSOEART-SNVBAGLBSA-N	322.340	1.473	50	20	DDGD	
C#CCCCC(=O)NNC(=O)COc1ccc(Cl)c(F)c1	887148948	CRVHXJFCDLJWIV-UHFFFAOYSA-N	312.728	1.809	50	20	DDGD	
Cn1nccc1NC(=O)C(=O)NNc1nc2ccccc2s1	782812222	HOLXVFRLEBDWIZ-UHFFFAOYSA-N	316.346	1.112	50	20	DDGD	
Cn1c(SCC(=O)NNC(=O)C(C)(C)C)nnc1C(F)F	782919482	QQPNXEUGPFFVLL-UHFFFAOYSA-N	321.353	1.038	50	20	DDGD	
C[C@@H]1CN2CCN1C[C@H]2C(=O)NNc1cccc(F)c1Cl	1123839741	NOQDVGYBFLAAAU-SKDRFNHKSA-N	312.776	1.311	50	20	DDGD	
CCCC(=O)N1CCC[C@H](C(=O)NNc2ccc(C#N)cn2)C1	899663712	KSCBAOHLUCTTBV-ZDUSSCGKSA-N	315.377	1.435	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc(F)cn1	784588436	MVKGLRSMOXSUQV-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
CCOCCC=NNC(=O)c1nn(CC)c(=O)c2ccccc12	788416009	UTXVPVHDPLTNRI-UHFFFAOYSA-N	316.361	1.559	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@](C)(C#N)C2)c1	784455848	XLCJRXLHCRIOKS-QGZVFWFLSA-N	314.389	1.382	50	20	DDGD	
CSc1ccccc1S(=O)(=O)NNC(=O)NCC1CC1	780384177	OVWRRWDEDGJHBW-UHFFFAOYSA-N	315.420	1.311	50	20	DDGD	
CCc1c(C(=O)NNc2ccccc2C(=O)OC)cnn1C	780739275	YRTJUDZLVVZWJW-UHFFFAOYSA-N	302.334	1.526	50	20	DDGD	
COCC(=NNC(=O)CNC(=O)c1ccco1)C1CCCC1	780218674	JFVDGKJDHXDDLK-UHFFFAOYSA-N	307.350	1.318	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)c2cc(F)c(F)cc21)C(F)F	782234357	DJESSQWTIISCPL-UHFFFAOYSA-N	324.255	1.228	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc2nsnc2c1	899996660	PESSDAILLPBGDM-UHFFFAOYSA-N	309.420	1.599	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)CNC(=O)c1ccccc1	788185141	USHMOWCHTPZTGZ-UHFFFAOYSA-N	317.320	1.707	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Nc2nn(C)cc2C#N)c1	780583511	DLVMGTSGJRTXST-UHFFFAOYSA-N	314.305	1.227	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCc2cnc[nH]2)cc1C	792796700	IMURVKGFBKAUHU-UHFFFAOYSA-N	316.361	1.186	50	20	DDGD	
CCCNC(=O)/C(C#N)=C/c1ccc(OCC(=O)O)c(OC)c1	797314546	FRZVDNLMXMVLGS-KPKJPENVSA-N	318.329	1.592	50	20	DDGD	
O=C(Cc1ccc2n[nH]cc2c1)NNC(=O)CC(F)(F)F	794995397	POIHLMGZIRIRJP-UHFFFAOYSA-N	300.240	1.205	50	20	DDGD	
O=C(CN1CCc2cc(Cl)ccc2C1)NNC(=O)C1CC1	792308466	WXAPHNCGHOWQPE-UHFFFAOYSA-N	307.781	1.256	50	20	DDGD	
CNc1ccc(C(=O)NNc2nc(-c3cccnc3)no2)cn1	796342500	RMQFVGYFBCDOJE-UHFFFAOYSA-N	311.305	1.325	50	20	DDGD	
O=C(NNc1cccnn1)C(=O)Nc1cnc2ccccc2c1	1320600819	JKTBCVBEHFSIGT-UHFFFAOYSA-N	308.301	1.107	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1n[nH]c2c1CCCC2)C(F)(F)F	1252172311	IJWYMSGSLOKEJC-LURJTMIESA-N	304.272	1.248	50	20	DDGD	
Cc1cc(Br)cc(C(=O)N2CC[C@@H](B(O)O)C2)c1	585064710	ISZHXNSNWNFUJY-SNVBAGLBSA-N	311.972	1.446	50	20	DDGD	
C#CCN1CCC[C@H](NC(=O)NNc2ccc(Cl)cn2)C1	1330936844	ZALFAQPHQSBZOE-LBPRGKRZSA-N	307.785	1.459	50	20	DDGD	
COC(=O)C(=O)NN=Cc1cc(Cl)cc(C(F)(F)F)c1	1255344288	JTLSYLZUNYUBPD-UHFFFAOYSA-N	308.643	1.982	50	20	DDGD	
CC(=O)OC[C@@H](CO)NC(=O)CCCC[C@@H]1CCSS1	1339634984	IUKYMXJZOOSLNR-VXGBXAGGSA-N	321.464	1.741	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N2CCC(F)CC2)C[C@@H]1Br	1332247777	BVQRVSTVMSUBPV-JOYOIKCWSA-N	321.190	1.237	50	20	DDGD	
O=C(CCO)NN=C1C(=O)Nc2c1ccc(Cl)c2Cl	1330903923	QBUXISHRZUUENM-UHFFFAOYSA-N	302.117	1.148	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2c[nH]nc2C)c(Cl)n1	1346542887	JJQRVCBGQCCOGD-UHFFFAOYSA-N	308.729	1.541	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H]2CC[C@H]3C[C@@H](C)CN3C2)n1	1350882664	YDNDNLFZQNXYSV-UTUOFQBUSA-N	305.382	1.049	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)C2(C(=O)NC3CC3)CC2)c1F	1602446799	RPUALBYOAPPMIO-UHFFFAOYSA-N	321.308	1.026	50	20	DDGD	
O=C(O)c1cc(NNC(=O)c2c(O)cccc2O)ccc1F	1608856702	LMJOFLKWQCSIRK-UHFFFAOYSA-N	306.249	1.692	50	20	DDGD	
CCOc1cccnc1C(=O)NNc1ccc(C(=O)O)cn1	1605715722	RUHIRANQNFWKON-UHFFFAOYSA-N	302.290	1.330	50	20	DDGD	
O=C(COc1ccc(O)cc1)NNc1cccc(C(=O)O)c1	1601343706	MQAJYOKRUMCFPC-UHFFFAOYSA-N	302.286	1.613	50	20	DDGD	
O=C(O)c1cc(C(=O)NN=c2cc[nH]cc2F)cc([N+](=O)[O-])c1	1608837285	JQEMHNUWOUQOIA-UHFFFAOYSA-N	320.236	1.006	50	20	DDGD	
CC[C@@H](C)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1609186407	YUDKSPCVMXCWAV-SECBINFHSA-N	302.338	1.064	50	20	DDGD	
O=C(O)[C@@H]1CN(S(=O)(=O)CCCCCl)C[C@H]1C1CC1	1602189423	QBYRZJVMNNLQLG-WDEREUQCSA-N	309.815	1.378	50	20	DDGD	
Cc1ccccc1OCC(=O)NNc1ccc(C(=O)O)cn1	1600584799	DRHPKXHQBFNNKK-UHFFFAOYSA-N	301.302	1.610	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)Nc1ccccc1C(=O)O	1605815568	OCUOAKGZNGGXRT-UHFFFAOYSA-N	318.264	1.385	50	20	DDGD	
CN(C)N(C(=O)C1CC2(CC2)C1)c1nc(CC(=O)O)cs1	1606037290	OXLHTSQDHOPQCB-UHFFFAOYSA-N	309.391	1.770	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)c(Cl)c1	1549313052	GMGABAKKOAFROV-UKRRQHHQSA-N	321.808	1.962	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)C2(C(=O)O)CC2)c(Cl)c1	1610508474	KGNHEKXYUPVKGJ-UHFFFAOYSA-N	311.725	1.666	50	20	DDGD	
O=C(NN=Cc1cc2c([nH]1)CCCC2)[C@H]1CN2CCC[C@@H]2CO1	1549905721	ULQGWRBIQXFIBR-GDBMZVCRSA-N	316.405	1.207	50	20	DDGD	
CN(C)C1(C)CCC(=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)CC1	1549906149	YUUQGEBYBXTZCX-BTPDTDQASA-N	322.453	1.216	50	20	DDGD	
O=C(NN=Cc1cc(F)ccc1F)[C@@H]1CN2CCC[C@H]2CO1	1549319356	UJJKSSOITJHVOE-JSGCOSHPSA-N	309.316	1.278	50	20	DDGD	
C[C@@H]1CN(C[C@@H]2[C@H](C)[C@H]2Cl)C[C@@H]1C(=O)N1CCOCC1	1550641776	PEFGLMDHWCTPNR-MBJXGIAVSA-N	300.830	1.286	50	20	DDGD	
C[C@@H]1[C@](F)(Cl)[C@]1(C)C=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1550354272	DDAUQSWMHGIXNQ-GGRQXOBESA-N	317.792	1.512	50	20	DDGD	
CN(NC(=O)c1ccc(C(C)(C)C)s1)C(=O)N1CCNCC1	1578506522	QEELMZXYPJDSKZ-UHFFFAOYSA-N	324.450	1.647	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](F)[C@H]2CCNC2)c1F	1578877557	BPRJQCFBSJKJAZ-KWQFWETISA-N	313.304	1.003	50	20	DDGD	
CC(C)OC(=O)NN=C1CCc2ccc(-c3nn[nH]n3)cc21	1589735904	JNQDVGJLOFHEAC-UHFFFAOYSA-N	300.322	1.652	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1c(O)cccc1Cl	1595261744	IJOUMTKCZQBSDG-UHFFFAOYSA-N	307.693	1.896	50	20	DDGD	
COC1(CCNC(=O)NNc2cccc(C(=O)O)c2)CCC1	1599089189	RIDNZTZNAIFFLA-UHFFFAOYSA-N	307.350	1.970	50	20	DDGD	
O=C(NNc1ccc(F)cc1Cl)c1cc(-c2nn[nH]n2)c[nH]1	1593164238	ZQDSTARZNVWAMD-UHFFFAOYSA-N	321.703	1.744	50	20	DDGD	
COc1ccccc1NNC(=O)[C@H]1CO[C@H](CCC(=O)O)C1	1594145950	GSEBHJXADLDSLC-GHMZBOCLSA-N	308.334	1.408	50	20	DDGD	
Cc1oc(-c2nn[nH]n2)cc1C(=O)NNc1cccc(F)c1	1592499733	BPNIGPFHWMFRJC-UHFFFAOYSA-N	302.269	1.664	50	20	DDGD	
CO[C@H](C(=O)NNc1cccc(C(=O)O)c1)C(=O)OC(C)(C)C	1599028877	UGRGHRMGRFKYEU-LLVKDONJSA-N	324.333	1.185	50	20	DDGD	
CC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Cl)C2	1795527399	RRPPNVCPHNTCAX-LSCVPOLPSA-N	318.776	1.528	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1cccc(C(=O)O)c1	158293467	POTSTKXMUKPCAP-GXDHUFHOSA-N	302.330	1.835	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2cn(C)c3ccccc23)[nH]n1	151171677	YXVOAFSPKUEBNL-UHFFFAOYSA-N	311.345	1.214	50	20	DDGD	
COCC(C)(C)C(=O)NNc1nc2ccccc2c(=O)n1C	151753444	GUIXTTVWGUPZEW-UHFFFAOYSA-N	304.350	1.049	50	20	DDGD	
CC(=O)c1cccc(NC(=O)NNC(=O)c2cc(C)n[nH]2)c1	152160813	YFIWWAFSJHLOEE-UHFFFAOYSA-N	301.306	1.387	50	20	DDGD	
CCn1cc(NC(=O)NNc2ccc(OC)cn2)ccc1=O	153301851	SXTWXFPFRNNGLC-UHFFFAOYSA-N	303.322	1.420	50	20	DDGD	
CC(C)[C@H]1CC[C@H](C(=O)NNc2ccc(C(N)=O)nn2)CC1	157260771	MGYGPJUBUVPPOW-PHIMTYICSA-N	305.382	1.481	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccccc1)OCc1ccccc1	90565675	OZCYFQOHDMUALH-UHFFFAOYSA-N	313.357	1.511	50	20	DDGD	
O=S(=O)(CBr)N1CCC[C@@H](CCO)CC1	817152113	OIBGCROSNAJDRG-SECBINFHSA-N	300.218	1.153	50	20	DDGD	
O=C(NNC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc[nH]1	7011516	MJYQMNZXLHTCQP-UHFFFAOYSA-N	305.319	1.554	50	20	DDGD	
CO[C@H](C)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	103523094	GHGAJHNHZZWLIE-SSDOTTSWSA-N	308.306	1.161	50	20	DDGD	
O=C(CN1CSCC1=O)NNc1ccnc2ccccc12	106924836	BPTQXFNBTOZYTE-UHFFFAOYSA-N	302.359	1.211	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cn(-c2ccccc2)nc1C	102339878	STOVHQVCZJMHOF-UHFFFAOYSA-N	315.377	1.925	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc2ccccc2c1	65212175	LANOFHIDZYGUIG-UHFFFAOYSA-N	301.346	1.820	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccc(CN(CC)CC)o1	69298268	LAFBNOWWINOBCZ-TZMCWYRMSA-N	323.393	1.307	50	20	DDGD	
Cc1cc(F)cc(S(=O)(=O)NNC(=O)c2cccn2C)c1	176678849	BZVFMLKCGTWHLR-UHFFFAOYSA-N	311.338	1.096	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)Cc1cnn(C)c1	114168976	LERMESILCVUYDH-UHFFFAOYSA-N	309.801	1.744	50	20	DDGD	
C[C@@H](O)c1ccc(CNC(=O)NNC(=O)c2ccc[nH]2)cc1	171062922	HDKHXASSEAKIPB-SNVBAGLBSA-N	302.334	1.212	50	20	DDGD	
O=C(Cc1nc2ncccn2n1)NNc1cccc2c1CCCC2	179025312	ZYWCYPCMAWWFJO-UHFFFAOYSA-N	322.372	1.689	50	20	DDGD	
COCCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)COC)cc1	170957498	QQPOPSRTTFLGMN-QQFZQELXSA-N	318.373	1.770	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C1[C@H]2CCC[C@H]12	178096590	YGBOAGKCDWAYOD-QWRGUYRKSA-N	303.362	1.301	50	20	DDGD	
COC(=O)[C@H](NNC(=O)c1cccc(Cl)c1)c1cccnc1	178790805	GGHHLBMGMRLKKT-CYBMUJFWSA-N	319.748	1.884	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc2cc(F)ccc2o1	117795151	SVVPLPIPHDMUQF-UHFFFAOYSA-N	302.265	1.678	50	20	DDGD	
C#CCCCCC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1	119588622	DDHBPNOTMMJAJP-UHFFFAOYSA-N	322.386	1.045	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2cccc(F)c2)n(C)n1	120914123	OTGUPRYXUPEIQS-UHFFFAOYSA-N	305.313	1.203	50	20	DDGD	
COC(=O)NNC(=O)c1c(C)nn(Cc2ccccc2)c1Cl	171301902	OJXSDQVHKDKQTG-UHFFFAOYSA-N	322.752	1.894	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H]2C[C@@](C)(OC)C2(C)C)n1	181371953	OMPNGODAEIUDLJ-ZUZCIYMTSA-N	308.382	1.920	50	20	DDGD	
Cn1c(=O)oc2c(C(=O)NNc3ccc(Cl)nn3)cccc21	124890772	UYCZTUGIOLULQN-UHFFFAOYSA-N	319.708	1.332	50	20	DDGD	
COc1cccc(NNC(=O)COc2ccc(F)cc2F)n1	180677939	HHXLFKSEMIZGQP-UHFFFAOYSA-N	309.272	1.891	50	20	DDGD	
Cc1noc(C)c1C[C@H](C)NC(=O)NNC(=O)c1ccccc1	122282553	UQVQMTAMZDUZTO-JTQLQIEISA-N	316.361	1.867	50	20	DDGD	
CCC1(CO)CCN([C@H](C)C(=O)NNC(=O)CC(C)C)CC1	128339766	UZVTVMCOFODQID-CYBMUJFWSA-N	313.442	1.053	50	20	DDGD	
CC[C@H](CC(=O)NNC(=O)CNC(=O)c1cccnc1)C(C)C	122334545	IRUNKZKIZVDFNY-GFCCVEGCSA-N	320.393	1.031	50	20	DDGD	
CCCCOCCCNC(=O)NNc1cncc(Cl)n1	125711946	DZLXSNRKYQIOJA-UHFFFAOYSA-N	301.778	1.963	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccc(COc2ccccc2)o1	188065899	YWHJNXJIYJFMSH-UHFFFAOYSA-N	318.329	1.391	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc2[nH]c(C)cc2c1	124683091	IJYKCTRYVYLUCL-SECBINFHSA-N	316.361	1.608	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N(C)C)c(C)c1	124829262	XWPSXPCYAFDROE-SNVBAGLBSA-N	320.393	1.193	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@@H](c1ncccc1C)C(C)C	120827740	UGCLMXHPOSLAPE-TZMCWYRMSA-N	306.410	1.623	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(O)nc(CC(C)C)c2)ncn1	181890036	SEQRZKTWRLFFRD-UHFFFAOYSA-N	301.350	1.841	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccccc1C[S@](C)=O	184320955	SWNBAWMOWAWVDY-UZJPJQLHSA-N	311.407	1.764	50	20	DDGD	
C[C@H](NC(=O)CC1CCCCC1)C(=O)NNc1ccncc1	180528160	VSOQIHTWYBXLCJ-LBPRGKRZSA-N	304.394	2.000	50	20	DDGD	
CCNC(=O)C(C)(C)CNC(=O)NNc1cccc(C#N)c1	131252108	KWCIEUJOVKKYRG-UHFFFAOYSA-N	303.366	1.347	50	20	DDGD	
O=C(NNC(=O)c1ccnc(Cl)c1)c1ccc(Cl)nc1	48791831	UGVGPPDWEFVXBA-UHFFFAOYSA-N	311.128	1.858	50	20	DDGD	
CC(C)[C@@H](SCc1ccccc1)C(=O)NNC(=O)C(C)(C)O	192926838	QDHIVQYZQNVENL-CYBMUJFWSA-N	324.446	1.863	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cccc3[nH]ccc23)n1	81109757	YHUZKZLNOHYYGW-UHFFFAOYSA-N	311.345	1.442	50	20	DDGD	
C=C(C)CN(CC)CC(=O)NNC(=O)Cc1nc(C)cs1	96965907	WFBPDEWSWYUKEZ-UHFFFAOYSA-N	310.423	1.039	50	20	DDGD	
CNC[C@@H](C)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	237223072	AWDZKKCVAMFDNM-MRVPVSSYSA-N	309.757	1.689	50	20	DDGD	
COCCOc1cccc(C(=O)NNC(=O)c2ccc[nH]2)c1	97026645	FHGZXESBNSCCBG-UHFFFAOYSA-N	303.318	1.115	50	20	DDGD	
CCC(CC)[C@H](O)CNC(=O)NNC(=O)c1ccccc1OC	264855451	NWQMQHBGMUZIRG-CYBMUJFWSA-N	323.393	1.436	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)c1ccccc1C)c1ccco1	266971023	QWRQYHDZLFQIBH-ZDUSSCGKSA-N	317.345	1.920	50	20	DDGD	
C[C@H]1CCC[C@H]1NC(=O)NNC(=O)c1ccc2c(c1)OCCO2	264301169	JJMURXPVECPVTE-CMPLNLGQSA-N	319.361	1.590	50	20	DDGD	
COC(=O)c1cc(OC(=O)C[C@H]2CCCO2)ccc1[N+](=O)[O-]	264780995	MWYNCCJJRADYLA-SECBINFHSA-N	309.274	1.856	50	20	DDGD	
CCCCn1ncc(C(=O)NNc2nccc(OC)n2)c1CC	277034326	FWSILRCJRKYGLT-UHFFFAOYSA-N	318.381	1.801	50	20	DDGD	
CSc1cccc(NC(=O)C(=O)NNC(=O)CC(C)C)c1	274242994	YCFGFWPIOBEWCW-UHFFFAOYSA-N	309.391	1.541	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc(Cl)c[nH]1	276645689	YGLQKPGOXRAMDO-UHFFFAOYSA-N	303.746	1.218	50	20	DDGD	
COCCn1nc(C)c(NC(=O)NNC(=O)CC2CC2)c1C	273353653	BPJFYEVYJQPZBW-UHFFFAOYSA-N	309.370	1.099	50	20	DDGD	
CC(=O)N1c2ccccc2C[C@H]1C(=O)NNc1ncccc1F	367656861	LYXVELWPEHGFNO-AWEZNQCLSA-N	314.320	1.642	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H](C(C)C)N2CCCCC2)n1	279880342	XDNCOEOOBYYXRR-OAHLLOKOSA-N	318.421	1.662	50	20	DDGD	
CCC(=O)c1cccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)c1	273717256	NTVUZKXJKYNMGY-UHFFFAOYSA-N	319.361	1.411	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)c(C)c1	273732265	POSWXLLYTQEMAJ-UHFFFAOYSA-N	321.377	1.526	50	20	DDGD	
Cc1cccc2c(=O)n(CCC(=O)N3CC=C(C#N)CC3)cnc12	271144321	STJJDKGRBKVDOY-UHFFFAOYSA-N	322.368	1.777	50	20	DDGD	
CC(=O)NCc1ccc(NC(=O)NNC(=O)C(C)(C)C)cc1	271230192	CZUMCUZFAQNHGV-UHFFFAOYSA-N	306.366	1.522	50	20	DDGD	
CCCOc1ccc(NC(=O)C(=O)NN(C)C(=O)NCC)cc1	276060657	CDFIJMUNALYGIY-UHFFFAOYSA-N	322.365	1.106	50	20	DDGD	
COC(=O)[C@H]1C[C@@H]1C(=O)NNC(=O)Nc1cccc(Cl)c1	283764848	NTUFNDPZYQBFMX-UWVGGRQHSA-N	311.725	1.302	50	20	DDGD	
Cc1ccc2sc(C(=O)NNC(=O)C(=O)NC3CC3)cc2c1	289399254	SIJKGIAJAHWNTN-UHFFFAOYSA-N	317.370	1.249	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H]1CCCCC(=O)N1	281184279	JSJMWDYCEICHTB-LBPRGKRZSA-N	304.350	1.207	50	20	DDGD	
CSSCCNC(=O)NCCc1cn2c(n1)SCC2	285563045	VREZKVCKYZLORO-UHFFFAOYSA-N	318.493	1.842	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@@H]1[C@H]1CCCO1)c1ccccc1	284193129	YIGDBINNEHZABA-ZIAGYGMSSA-N	303.362	1.684	50	20	DDGD	
COCCOc1cncc(C(=O)NNc2cc(C)ccn2)c1	282583219	XJMILMYZRMTPFT-UHFFFAOYSA-N	302.334	1.567	50	20	DDGD	
CCOc1ccccc1CNC(=O)NNC(=O)[C@H]1CCCCO1	296426939	SLSSQWQPYCNXEK-CQSZACIVSA-N	321.377	1.485	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1nc(-c2ccccc2)no1	298201865	YAGBGNLUZGCJKO-SECBINFHSA-N	303.322	1.935	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)N=c1cc[nH]cc1)c1ccccc1	802024926	NDIBQWQYWBRWKX-ZDUSSCGKSA-N	300.318	1.044	50	20	DDGD	
CC(Cl)(Cl)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802102868	DQZSPAHBPCRRDL-UHFFFAOYSA-N	320.132	1.762	50	20	DDGD	
CCOC(=O)NCC(=O)NNc1ccc(C(=O)OCC)c(C)c1	291253718	POOBCFZZFCLNOO-UHFFFAOYSA-N	323.349	1.361	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCCCO2)cc1C	297625550	CBIWXGQDUYRSBI-CQSZACIVSA-N	319.361	1.919	50	20	DDGD	
COc1ccc([C@H](C)C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	294167835	IQAROPAYIRMZEA-MJVIPROJSA-N	306.362	1.514	50	20	DDGD	
COc1ccc([C@@H](C)CC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	294335859	SYDWZFSXXFTOAO-HUBLWGQQSA-N	320.389	1.904	50	20	DDGD	
CN(CC(=O)NNc1ncccc1F)C(=O)c1cccs1	804211114	FSEWCUJTIZBVFE-UHFFFAOYSA-N	308.338	1.498	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCCC(=O)N(C)C)cc1	297433900	ZXGKXZWWOHMVLW-UHFFFAOYSA-N	308.382	1.580	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccccc1	801619203	FVCWTSCSCGWMDX-SNVBAGLBSA-N	317.305	1.273	50	20	DDGD	
O=C1CSc2ncc(C(=O)NNc3ncccc3F)cc2N1	804216769	YTVLOFLNNSDECH-UHFFFAOYSA-N	319.321	1.417	50	20	DDGD	
Cc1cc(C(=O)NNc2cccc(F)n2)c2c(O)nn(C)c2n1	804769935	URXFTQSOXXBPOD-UHFFFAOYSA-N	316.296	1.273	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1cc([N+](=O)[O-])ccc1N	814787434	NDNYYNIDMYVXQX-UHFFFAOYSA-N	316.321	1.291	50	20	DDGD	
CCCOc1ccc(C(=O)NN=C2COCCOC2)cc1OC	814754759	BIUHVIZPAZXOAF-UHFFFAOYSA-N	322.361	1.617	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NN=C1CCC(C(=O)O)CC1	814730451	OLIUPVSEZGCETH-UHFFFAOYSA-N	314.345	1.783	50	20	DDGD	
COc1cnc(C(=O)NNC(=O)c2cc3ccccc3o2)nc1	815757080	XBGJMECALGZZSJ-UHFFFAOYSA-N	312.285	1.306	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(-n2c(O)nnc2O)cc1	819788829	ZAAXGSXXDIOQPR-HJWRWDBZSA-N	315.289	1.061	50	20	DDGD	
O=C(NCCCOc1ccc(F)cc1)NNc1ncncc1F	814291381	KFBOIWPXYWZYCB-UHFFFAOYSA-N	323.303	1.850	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1nnc2ccccc2n1	810565086	MQNPFSIMQSDOBQ-UHFFFAOYSA-N	321.340	1.337	50	20	DDGD	
O=C(NNc1ncncc1F)[C@@H]1CCCN1Cc1ccccn1	817083608	OPPVQHCXLHRPEE-ZDUSSCGKSA-N	316.340	1.118	50	20	DDGD	
CN(NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CC1	819645696	RCYLPZKGZGKHDK-UHFFFAOYSA-N	301.306	1.520	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cc(O)cc(C(F)(F)F)c1	811636759	MVELBPOJXFMUJO-UHFFFAOYSA-N	317.267	1.386	50	20	DDGD	
O=C(COc1cc(F)cc(F)c1)NNC(=O)Cc1cccnc1	810347773	AXZIOQULJXYPRG-UHFFFAOYSA-N	321.283	1.129	50	20	DDGD	
O=C(NN=C1COCCOC1)c1cc(-c2cccs2)[nH]n1	814876264	PVMPQEPZJCKLNM-UHFFFAOYSA-N	306.347	1.271	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)[C@@H](C)Oc1ccc(F)cc1	811634352	MBHOXMXTHHJEAF-DGCLKSJQSA-N	321.352	1.754	50	20	DDGD	
Cn1ccc(C(=O)NNC(=O)c2cc3ccccc3cc2O)n1	727483235	MPQUIUMSOYTZBJ-UHFFFAOYSA-N	310.313	1.354	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@@H](C)CN2CCOCC2)cc1F	725831185	LGYIVJXSLNWFKP-LBPRGKRZSA-N	323.368	1.253	50	20	DDGD	
C[C@H]1COCCN1CCNC(=O)/C(C#N)=C/c1ccc(F)cc1	490838880	BRIMNEDLSBSRSB-LERPTODRSA-N	317.364	1.570	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)no1	824341812	DPRJPMZAHOWWIB-UHFFFAOYSA-N	313.321	1.735	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)C[C@@H](c1ccccc1)c1ncc[nH]1	823921856	DDEHUDWYPLVOGH-JSGCOSHPSA-N	302.378	1.276	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cnccn1)c1cccs1	726453476	HBCOFTFLGQXDCS-MRVPVSSYSA-N	307.404	1.408	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)c1cnc2n1CCC2	825745367	ZIYRELGIYGZPLS-UHFFFAOYSA-N	312.373	1.613	50	20	DDGD	
COC(=O)NCCC(=O)NNc1cc(Cl)nc(Cl)c1	497257051	KZWUUWUKSWABTP-UHFFFAOYSA-N	307.137	1.578	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)CC1	822205577	YQMLDTGZMBKWID-UHFFFAOYSA-N	313.357	1.617	50	20	DDGD	
CCOc1c(Cl)cccc1CC(=O)NN(C)[C@@H](C)CO	823928028	JEDJMODDODOKPT-JTQLQIEISA-N	300.786	1.625	50	20	DDGD	
C=CCC1(C(=O)NNc2ccc(C(N)=O)nn2)CCCCC1	826843650	QOPVHKNXKXHBBN-UHFFFAOYSA-N	303.366	1.545	50	20	DDGD	
Cc1cc(C(=O)Nc2cccc(B(O)O)c2)c(C)n1CC1CC1	584909510	DZEHOZDUXLBRQR-UHFFFAOYSA-N	312.178	1.447	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCS[C@H]2CCCC[C@@H]21	584961225	RRSVRFWEEMMMKV-KBPBESRZSA-N	323.198	1.006	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C\c1c(OC)cc(OC)cc1OC	490588150	RKWIUHMKDRNDPS-XFFZJAGNSA-N	302.330	1.922	50	20	DDGD	
O=C(NCc1n[nH]cc1Br)NNc1ccccc1	739021159	RICJXZNZHTUPMT-UHFFFAOYSA-N	310.155	1.999	50	20	DDGD	
CC1=NO[C@](C)(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)C1	901283157	YIGUNWISBNWREW-JPVQUXCTSA-N	319.405	1.905	50	20	DDGD	
CC(C)CN(CCc1ccccc1)CC(=O)NNC(=O)C1CC1	733194459	STDUDTUPOQYHKK-UHFFFAOYSA-N	317.433	1.745	50	20	DDGD	
O=C1COc2ccc(C(=O)NNc3nccnc3Cl)cc2N1	734261066	OBZXGNXWUSBIBJ-UHFFFAOYSA-N	319.708	1.218	50	20	DDGD	
CCOC(=O)Nc1ccc(NC(=O)NNC(C)=O)cc1C#N	495322383	PQJNTYOCQWRDEM-UHFFFAOYSA-N	305.294	1.299	50	20	DDGD	
C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)/C(C#N)=C\c1cnn(C)c1	491088166	YTELTYGPAYGRMS-CJKKJBIBSA-N	313.405	1.412	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)c1ncon1	832826066	QNFJRILTXZIFEY-PHDIDXHHSA-N	312.738	1.349	50	20	DDGD	
Cn1ccnc1[C@H]1N(C(=O)NNC(=O)C2CCCC2)CC1(C)C	836426027	FRUWKQYGAJDCAK-GFCCVEGCSA-N	319.409	1.734	50	20	DDGD	
Cc1ccccc1[C@@H](CC(=O)NNc1cnccn1)NC(N)=O	734245190	LMYHZWBLGUYHNZ-GFCCVEGCSA-N	314.349	1.028	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNC(=O)CCCc1ccccc1	730282569	LPXPUIUSKOZKFJ-INIZCTEOSA-N	313.401	1.254	50	20	DDGD	
COCC[C@@H](C)NC(=O)NNC(=O)Nc1ccc(OC)cc1	836268852	WRCUKCBFGQIQQU-SNVBAGLBSA-N	310.354	1.456	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NC[C@@H]2CC[C@H](C)O2)cc1	838742537	SIVGPGDBTREXAL-GWCFXTLKSA-N	322.365	1.598	50	20	DDGD	
CCOc1ccc(OC)cc1NCc1ccc(B(O)O)cc1	585013323	RAZSAHYCXXMTJL-UHFFFAOYSA-N	301.151	1.386	50	20	DDGD	
CSCCCCC(=O)NNC(=O)c1ccc2c(c1)OCO2	739676608	XSORKXOGAJWBHA-UHFFFAOYSA-N	310.375	1.710	50	20	DDGD	
CC(C)C[C@H](C)OCCc1nc(-c2ccc(B(O)O)cc2)no1	585051090	UFBVEJONJYFXRU-LBPRGKRZSA-N	318.182	1.410	50	20	DDGD	
COC(=O)Cn1ccc(NC(=O)[C@]2(C)C[C@@H]2Br)n1	906532157	CACBZCAAPGENAE-WRWORJQWSA-N	316.155	1.168	50	20	DDGD	
O=C(NNC(=O)c1ccc2ccccc2n1)NOC1CCC1	836566032	SEJSNPZFBOVIEF-UHFFFAOYSA-N	300.318	1.663	50	20	DDGD	
CCCCOc1ccc(/C=C/C(=O)NCB(O)O)cc1OCC	585058592	JRTOBCUDAOKPQJ-VQHVLOKHSA-N	321.182	1.406	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1	831005528	LXOLJLVAVNMWPT-NSIVTLKISA-N	319.449	1.712	50	20	DDGD	
Cc1ccc(CN2CCCC2)cc1NCc1ccc(B(O)O)cc1	585016608	SFNGQXPIIFSXSD-UHFFFAOYSA-N	324.233	1.883	50	20	DDGD	
CN(C)c1ncc(CNC(=O)[C@]2(C)C[C@H]2Br)n1C	906667431	WFDFNMZAOYKSIM-BXKDBHETSA-N	315.215	1.276	50	20	DDGD	
C[C@]1(C(=O)NCCCO[C@H]2CCOC2)C[C@H]1Br	906960327	MADAOGPHJYDATD-UMNHJUIQSA-N	306.200	1.472	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NNc1cccc(Br)n1	837210520	QSNXDDNHNNNCKQ-JGVFFNPUSA-N	300.156	1.712	50	20	DDGD	
Cn1nnc2cc(C(=O)NNc3ccccc3C(=O)O)ccc21	833759735	URULWXMIDWFAMZ-UHFFFAOYSA-N	311.301	1.423	50	20	DDGD	
CC(C)[C@]1(C)C[C@H]1NC(=O)NNC(=O)c1ccc(C#N)cc1	838767215	XDCAFJVDZNLURD-CJNGLKHVSA-N	300.362	1.937	50	20	DDGD	
NC(=O)C(=O)NN=C1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]12	834917179	AHIVSDYGWGLCMH-ZFWWWQNUSA-N	314.389	1.019	50	20	DDGD	
C[C@H]1CCC[C@@]1(C)C(=O)NNc1ccc(-n2ccnc2)nn1	832489107	WFZVEAOTWINUNR-XHDPSFHLSA-N	300.366	1.932	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)[C@]2(C)C[C@H]2Br)CN1C1CC1	906942541	UPMUFWPNMPIRCF-INTNWOOBSA-N	301.228	1.901	50	20	DDGD	
OB(O)c1ccc(CNCCCCOC2CCCCCC2)cc1	585019724	GUZDNCHGWWUUJE-UHFFFAOYSA-N	319.254	1.976	50	20	DDGD	
C[C@@H](CNCc1ccc(B(O)O)cc1F)c1ccc(F)c(F)c1	585027513	VJHMDKBNUYIELK-JTQLQIEISA-N	323.123	1.677	50	20	DDGD	
COc1ccc(OC)c(C(=O)NNC(=O)CC(F)(F)F)c1	918365576	FPASTTFGALWERE-UHFFFAOYSA-N	306.240	1.417	50	20	DDGD	
CC[C@@H](C)NC(=O)CCNC(=O)NNc1ccc(F)c(F)c1	914268865	JPVISUKSBMLYKP-SECBINFHSA-N	314.336	1.896	50	20	DDGD	
COc1ccc2nc(NNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c(C)cc2c1	839724840	OGAWGGSLDNGYJK-DGCLKSJQSA-N	316.317	1.660	50	20	DDGD	
CN(C)C(=O)C1CCC(C(=O)NNc2ccc(C#N)cc2)CC1	830776337	GOZGTAAVRPGQRT-UHFFFAOYSA-N	314.389	1.896	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1ccc(OC2CC2)cc1	831126202	SMYMFVNFZGDEMQ-UHFFFAOYSA-N	313.379	1.082	50	20	DDGD	
CCOC(=O)[C@@H](CC(C)C)OC(=O)/C(C#N)=C\c1cnn(C)c1	837970647	FNMVSMKZQKNFTI-SVSAJMPUSA-N	319.361	1.848	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC2CCC(C)(O)CC2)cc1	749597353	XHRALPJDJLFILY-UHFFFAOYSA-N	319.405	1.887	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)C1(CC)CC1	749333747	URLKKLDSAWFLQR-UHFFFAOYSA-N	314.389	1.936	50	20	DDGD	
C[C@H]1CCCN(C(=O)C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)C1	842248889	KKJBBGXAKPTRTI-VIFPVBQESA-N	324.312	1.436	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1	917916989	QVVSREONUBYCKE-UHFFFAOYSA-N	302.290	1.560	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2cccc3cccnc23)n[nH]1	747425248	AYMKAXIIWCGFEP-UHFFFAOYSA-N	309.329	1.595	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H]2SCCc3ccccc32)nc1O	743295149	GHBANOQSNCLDKV-NSHDSACASA-N	317.374	1.359	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1[N+](=O)[O-]	843646691	LBSGXDSPLCMSSR-NXEZZACHSA-N	307.306	1.089	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cccc(Cl)c1)[C@@H]1CCCNC1	841929961	YIOWGPBVVIDVIY-CMPLNLGQSA-N	324.812	1.672	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CN2[C@H](C)CC[C@H]2C)cc1	846374483	QWAWJVDLMZQAGH-CHWSQXEVSA-N	319.405	1.718	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H]2CCCN(C(N)=O)C2)c1	748896854	YTPPZXSLJSYWCB-SECBINFHSA-N	310.329	1.068	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	745848487	GWUVSDZPKXQHFA-GFCCVEGCSA-N	324.337	1.210	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H]1CCCN(Cc2cccnc2)C1	749160933	HGFJBRINIRYNHO-AWEZNQCLSA-N	304.394	1.097	50	20	DDGD	
O=C(NNC(=O)c1cccc[n+]1[O-])c1cc(-c2ccccc2)on1	918225593	PCLSREJWBRMAPY-UHFFFAOYSA-N	324.296	1.050	50	20	DDGD	
CN(c1ccc(NC(=O)C(=O)NN)cc1F)C1CCCCC1	841199368	GEAPHXVTOYFQLK-UHFFFAOYSA-N	308.357	1.523	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1c(F)cccc1Cl	748254319	YOJWJHJTALOCLW-VIFPVBQESA-N	302.733	1.981	50	20	DDGD	
CC(C)=CCC[C@@H](C)CC(=O)NNC(=O)C(=O)N1CCCC1	843780609	NKBWUGQFHKWJRC-CYBMUJFWSA-N	309.410	1.529	50	20	DDGD	
C[C@H](Oc1ccc(C=NNC(=O)[C@H]2CCO[C@H]2C)cc1)C(=O)O	842560761	NHZGUZPJQZZVNA-MJVIPROJSA-N	320.345	1.414	50	20	DDGD	
C[C@@H](CN)CNC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	841963389	RAPOJTGHRYKYKO-GVMDUPDNSA-N	322.453	1.518	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNc1ncnc2[nH]cnc12	743471548	NGKLPBBTUFDWFV-QMMMGPOBSA-N	316.296	1.403	50	20	DDGD	
CN(C)CC(=O)NN=C1COc2cc(Cl)cc(Cl)c21	743437816	HXWRNMXALQYRKS-UHFFFAOYSA-N	302.161	1.768	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H]1CCO[C@@H](c2ccccc2)O1	848144501	VYTMWDQTNCUARI-XJKSGUPXSA-N	304.346	1.438	50	20	DDGD	
COC[C@@](C)(O)C(=O)NNc1ccc(OCC(F)(F)F)cc1	748710116	JCCLBZMJLJWINH-GFCCVEGCSA-N	322.283	1.468	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ncoc2-c2ccccc2)n1	740112401	GRMUSAIFZSGQMM-UHFFFAOYSA-N	324.344	1.955	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(OCCC(=O)O)cc1	920830265	URDPZEBEKHWZIL-UHFFFAOYSA-N	323.349	1.210	50	20	DDGD	
O=C(NNc1cccc(Cl)c1)[C@H]1CCc2nnnn2CC1	845143769	GXURSOLSZLOLOU-VIFPVBQESA-N	306.757	1.422	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1	747325063	ZIXZNICMGRCQHP-GJZGRUSLSA-N	313.332	1.714	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@@H]1CCCN(CC(F)(F)F)C1	920858943	WWTCDFKPLUIMDD-SNVBAGLBSA-N	322.331	1.001	50	20	DDGD	
CCC(=NNC(=O)COc1ccccc1OC)[C@H]1CCOC1	741836577	HGFLVMOHZQQKNR-LBPRGKRZSA-N	306.362	1.993	50	20	DDGD	
CC(=O)c1cc(F)cc(F)c1OCC(=O)NNC(=O)C1CC1	742452101	RAKHWIBBPOEBAK-UHFFFAOYSA-N	312.272	1.104	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CN1Cc2ccccc2C1=O	848082111	YRRMVQZQGOJLGI-UHFFFAOYSA-N	301.173	1.905	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2[C@H]3CCC[C@H]2CC3)c1	752351211	ZTUIYCJIVIZPSC-GJZGRUSLSA-N	301.390	1.773	50	20	DDGD	
COCc1cccc(CC(=O)NNC(=O)OCC(F)(F)F)c1	856023057	WTLASZKFLJCKSE-UHFFFAOYSA-N	320.267	1.695	50	20	DDGD	
O=C(NNC(=O)N1CCc2c(O)cccc2C1)C1CCCC1	858392924	KURBVXHADSVSEM-UHFFFAOYSA-N	303.362	1.681	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cncnc2C2CC2)n1	857460154	YSZRZLWRNMTDDC-UHFFFAOYSA-N	300.322	1.218	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cn2c(n1)CCCC2)C1CC1	855097731	WXYBCCRZWLMRDD-VIFPVBQESA-N	307.423	1.127	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cc1ccccc1CO)C1CC1	855100065	UDTJROVZQJWSQA-SNVBAGLBSA-N	307.419	1.015	50	20	DDGD	
C[C@@]1(CNC(=O)NCCn2cccn2)C[C@H]1Br	856840027	RPTXPUSLPQJWIB-KOLCDFICSA-N	301.188	1.356	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H](C2CCCCC2)C1)c1ncccn1	852385597	RVZKYARIAQQSQK-ZDUSSCGKSA-N	317.393	1.733	50	20	DDGD	
C[C@H](CC(=O)NNC(=S)N[C@H](C)C1CC1)c1ccncc1	855099032	QCWVKVKXLSGDJP-GHMZBOCLSA-N	306.435	1.869	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)Nc1nnc2ccccn12	756431818	GCFHALUPBNVJRP-UHFFFAOYSA-N	314.280	1.335	50	20	DDGD	
CC1(C)CC(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC(C)(C)C1	858348695	DLGNVCUTPCJZLM-NSHDSACASA-N	324.425	1.200	50	20	DDGD	
CNC(=S)N(C)NC(=O)Cc1cc(Cl)ccc1OC	854927745	FINLBBYTIAKMBV-UHFFFAOYSA-N	301.799	1.358	50	20	DDGD	
NC1(CNC(=O)NNc2ccc3c(=O)[nH]ccc3c2)CCCC1	851672171	YFMHKELNHOJBEN-UHFFFAOYSA-N	315.377	1.426	50	20	DDGD	
COC(=O)c1cc(NNC(=O)COC2CCOCC2)ccc1C	857268112	XXBBQTNSDDDUPT-UHFFFAOYSA-N	322.361	1.420	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(F)c(F)c1F	853313931	HTCBWQMCPIBITM-MRVPVSSYSA-N	304.268	1.606	50	20	DDGD	
CC[C@@H]1C[C@H](C(=O)NN(C)C(=S)NCCCOC)CCO1	854284040	UYYBSCUBSRUEFP-VXGBXAGGSA-N	317.455	1.066	50	20	DDGD	
O=C(CC[C@@H]1CCOC1)NNC(=O)Cc1ccc(Cl)cc1	751299316	KADDAZOVYSHPJR-GFCCVEGCSA-N	310.781	1.847	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1coc(C2CCC2)n1)C1CC1	855099944	QZPZYRJPJIZOFY-MRVPVSSYSA-N	308.407	1.850	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Nc2nc(C)cs2)nc1	758510546	IAWHENQTYUPVBK-UHFFFAOYSA-N	307.335	1.782	50	20	DDGD	
C=C[C@H](CO)NC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	851917167	VALGZZHHZLYAPE-GXSJLCMTSA-N	323.418	1.364	50	20	DDGD	
O=C(NNc1c(F)cccc1F)N[C@@H]1CCc2c[nH]nc2C1	758908637	HXPGSPVYDZYRQB-SECBINFHSA-N	307.304	1.872	50	20	DDGD	
COCCCOCCC(=O)NNc1ccc([N+](=O)[O-])cc1F	855623569	IPABNPZQASABGG-UHFFFAOYSA-N	315.301	1.620	50	20	DDGD	
CN1CC[C@@H](C(=O)OC[C@@H](CBr)C2CC2)C1=O	859642028	NQQCUQDPICJJGT-NXEZZACHSA-N	304.184	1.429	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@@H]1CCN2CCC[C@@H]2C1	856839958	MQNRHHOVISYGRE-GHMZBOCLSA-N	310.789	1.383	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CSCCc2ccccc21	759197631	UROXQOGQESQOLW-UHFFFAOYSA-N	305.403	1.321	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)COc1cccc(C#N)c1)C1CC1	751616568	FKQOCKRKZJFNHD-SNVBAGLBSA-N	318.402	1.231	50	20	DDGD	
COc1cccc([C@H](C)CC(=O)NNc2nnc(C)c(O)n2)c1	753331498	VDGDCUVXARFTLF-SECBINFHSA-N	317.349	1.531	50	20	DDGD	
COc1nccnc1NNC(=O)C(=O)Nc1c(C)cccc1C	766261016	NRNJNELIWIKKED-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
O=C(CN1C[C@H]2CCC(=O)c3cccc1c32)NNC(=O)C1CC1	767030261	AMYHFACMQSYZIN-LLVKDONJSA-N	313.357	1.124	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NNC(=O)NCCCOC	767319783	DROOLGJEFCVLKG-STQMWFEESA-N	315.414	1.339	50	20	DDGD	
C[C@@H](NNC(=O)c1cn(Cc2ccccc2)nn1)C(F)(F)F	862306026	AZKFGPOHRYNJSE-SECBINFHSA-N	313.283	1.512	50	20	DDGD	
CCNC(=O)N(C)N=Cc1ccc(OC)cc1OCC(=O)O	769595031	ZQVVJOYDJVJGPS-UHFFFAOYSA-N	309.322	1.154	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCc2ccccc2O)ns1	768207090	LXHCNRDILZNBKH-UHFFFAOYSA-N	305.359	1.551	50	20	DDGD	
Cc1cn2ccnc(C(=O)NN=c3cc[nH]cc3Cl)c2n1	762268529	GGMZVMWJLLKORH-UHFFFAOYSA-N	302.725	1.265	50	20	DDGD	
CCCOc1cc(F)ccc1NCc1ccccc1B(O)O	864022085	MHIZZPNNZSNAAB-UHFFFAOYSA-N	303.142	1.906	50	20	DDGD	
COc1cccc(C(=O)NNc2ncnc3ccsc23)n1	766675326	LBRWCGIZJIILAA-UHFFFAOYSA-N	301.331	1.852	50	20	DDGD	
COc1nccnc1NNC(=O)c1cccc(-c2cnn(C)c2)c1	764482429	WPUSVZNOHGSFFS-UHFFFAOYSA-N	324.344	1.643	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(Cl)ccc2O)ns1	769845029	CXQVGHXEQUJVFW-UHFFFAOYSA-N	311.750	1.885	50	20	DDGD	
CC(C)(C)[C@H](O)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	764604537	LSEWMXVAPQCJKT-CQSZACIVSA-N	303.362	1.265	50	20	DDGD	
O=C(Cn1cc(Cl)cn1)NNCC(F)(F)C(F)(F)F	863100164	VCOYAZBAKOFITK-UHFFFAOYSA-N	306.622	1.355	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc2oc(C(C)C)nc2c1	763516419	HVSHNQTUPGLDPB-UHFFFAOYSA-N	304.306	1.057	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1ccc(CN2CCOCC2)o1	879966727	VWDFUYHOGTZHEK-UHFFFAOYSA-N	320.324	1.403	50	20	DDGD	
O=C(CC1CCC2(CC1)OCCO2)NNc1ccc(F)cn1	874649738	YBTLURCOQZEHKB-UHFFFAOYSA-N	309.341	1.987	50	20	DDGD	
O=C(CC(C1CC1)C1CC1)NNc1ccc(-n2ccnc2)nn1	1117278192	RIDHBMKQYONZHB-UHFFFAOYSA-N	312.377	1.932	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1ncoc1[C@@H]1CCCO1	1116076243	BEXYERQHPYEGOC-JTQLQIEISA-N	320.305	1.263	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNC(=O)C2CCC2)c(C)s1	879855540	IUNVNMPOMRHWKL-UHFFFAOYSA-N	311.363	1.796	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@@H]1CCO[C@H](C)C1	770754453	RYMIHEUPKMNAPJ-CHWSQXEVSA-N	305.378	1.754	50	20	DDGD	
Cc1ncc(NC(=O)NNc2cccc(S(C)(=O)=O)c2)cn1	776470024	VFDPSRLHHCXIFF-UHFFFAOYSA-N	321.362	1.337	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)CSC1CC1	873770634	SLCKXGVCTSGOOW-UHFFFAOYSA-N	311.432	1.908	50	20	DDGD	
CCOC(=O)Cc1cccc(NC(=O)NNc2cnccn2)c1	770035953	BLEPUHBUFTVQPH-UHFFFAOYSA-N	315.333	1.731	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C[C@](C)(O)C2CC2)c1	873775471	HQNSZUCMDFTSBE-HNNXBMFYSA-N	307.419	1.864	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H]1CC[C@H](CN)CC1	877179938	CJFDRVCSSUCFMO-JOCQHMNTSA-N	312.845	1.986	50	20	DDGD	
CCn1nccc1C(=O)NNc1ccc(Br)nc1	776144021	KYOMZAAQFOBQEJ-UHFFFAOYSA-N	310.155	1.817	50	20	DDGD	
CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)NNC(=O)c1cn[nH]c1)C2	875088084	WOELHYJPCHGOJB-RWSFTLGLSA-N	305.382	1.569	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(Cl)cc1O	771873860	DDBXZZLKWDWYTR-SSDOTTSWSA-N	314.725	1.148	50	20	DDGD	
CC[C@@H]1[C@@H](C)CCN1CC(=O)NNC(=O)c1ccc(C)cc1	775782363	FTXKVJRWZZSPCR-DZGCQCFKSA-N	303.406	1.876	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cc2c([nH]1)CCCC2	872354425	SOVBZTMWCXIIRF-UHFFFAOYSA-N	304.394	1.648	50	20	DDGD	
CCSCc1cc(C(=O)NNC(=S)NC(C)(C)C)no1	770214871	VDMRONWTWSYKRT-UHFFFAOYSA-N	316.452	1.835	50	20	DDGD	
N#Cc1ccc(NC(=O)NNCC(F)(F)C(F)(F)F)nc1	889242003	FKBLPHBPKIKMKR-UHFFFAOYSA-N	309.198	1.777	50	20	DDGD	
COc1cccc(C)c1NC(=O)C(=O)NNC(=O)C(C)(C)C	773463146	CJQWJWNCNMPQNH-UHFFFAOYSA-N	307.350	1.136	50	20	DDGD	
CC[C@H]1C[C@H](C)CN1CC(=O)NNC(=O)c1cccc(C)c1	777594934	KTYFGMKWJPFXLX-ZFWWWQNUSA-N	303.406	1.876	50	20	DDGD	
Cc1ccc(C)c(S(=O)(=O)NNC(=O)C2CCOCC2)c1	882806067	IXVMIDZOVVKFJP-UHFFFAOYSA-N	312.391	1.040	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1C#N)[C@@H]1CCCOC1	779763674	SJQNFTARIFYDKJ-CQSZACIVSA-N	301.346	1.856	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@@H]2C=CCC2)c(OC)c1	883479777	ITSYJZIJGOOSSX-LLVKDONJSA-N	319.361	1.614	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(NC(C)=O)ccc2C)n1	780336474	HWQFFNJUUMFLNZ-UHFFFAOYSA-N	315.333	1.509	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H]1CCCN1C1CC1	787492583	BZRIRAATULTQFJ-CQSZACIVSA-N	303.362	1.543	50	20	DDGD	
C=Cc1ccc(S(=O)(=O)NNC(=O)C2CCOCC2)cc1	882804823	ZWWOWTIDOVRNDB-UHFFFAOYSA-N	310.375	1.066	50	20	DDGD	
Cc1cc(C)c(CNC(=O)NNC(=O)C2CCOCC2)c(C)c1	883233223	CKFXCOJIDGECJB-UHFFFAOYSA-N	319.405	1.869	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCN(C)C(C)(C)C1	883483835	VLOCOCKRAXSHBE-UHFFFAOYSA-N	320.393	1.076	50	20	DDGD	
CCCCNC(=O)NNC(=O)CC1CCC2(CC1)OCCO2	788088284	KGXVTCCNFTWFTR-UHFFFAOYSA-N	313.398	1.440	50	20	DDGD	
O=C(CSCC(F)(F)F)NNc1ncncc1Cl	781837191	VCNQPIBFNXFRJN-UHFFFAOYSA-N	300.693	1.869	50	20	DDGD	
COC(=O)NNC(=O)[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1	891771405	QXBXDMGJRHRXGA-MRXNPFEDSA-N	322.361	1.788	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H]2CC[C@H](CN)CC2)cc1	892453345	XKCPEAHQHHLJTR-CTYIDZIISA-N	318.421	1.711	50	20	DDGD	
CSc1cccc(F)c1C(=O)NNC(=O)Cc1cc[nH]n1	798957784	NTYVATZWXDYPOL-UHFFFAOYSA-N	308.338	1.274	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(F)c(C(=O)CC)c1	798305687	AQRJVLQYQGFESA-UHFFFAOYSA-N	309.366	1.713	50	20	DDGD	
CSC[C@@H]1CCCN(CC(=O)NNC(=O)C(C)(C)C)C1	795602493	BUXAVAHHBIZISV-LLVKDONJSA-N	301.456	1.255	50	20	DDGD	
O=C(NNC(=O)c1cccnc1F)c1cccc([N+](=O)[O-])c1	791196124	CAJBMXDYEWRWBT-UHFFFAOYSA-N	304.237	1.204	50	20	DDGD	
CCc1cncc(C(=O)NNC(=O)c2cccc(OC)c2O)c1	790571479	RZVZGCHMJVUSEO-UHFFFAOYSA-N	315.329	1.433	50	20	DDGD	
Cc1ccn2cc(C(=O)NNC(=O)c3cccc(C)n3)nc2c1	794074654	GZBRKGGQHVOWOY-UHFFFAOYSA-N	309.329	1.421	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)C1(O)CCSCC1	798310793	WAVSMUMRVYFXGJ-UHFFFAOYSA-N	309.391	1.406	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@H]2Cc3ccccc32)n1	792896815	FQHMYCLZQHSMNE-CYBMUJFWSA-N	310.357	1.674	50	20	DDGD	
Cc1cccc(C(=O)NNS(=O)(=O)c2ccc(F)cc2)n1	794599215	DUIKYTVJIZPEJZ-UHFFFAOYSA-N	309.322	1.152	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)c2cc(S(N)(=O)=O)oc2C)c1	798334409	CLIRUIPOXCJQBR-UHFFFAOYSA-N	323.374	1.609	50	20	DDGD	
CC[C@H](C)CC[C@H](O)CC(=O)NNc1cc(Cl)nc(N)n1	793801420	USTZLTILTKUXET-IUCAKERBSA-N	315.805	1.733	50	20	DDGD	
CCN(C[C@@H](C)CBr)[C@H](C)CS(C)(=O)=O	248794485	YKUQRGXLEWBAMH-VHSXEESVSA-N	300.262	1.772	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CN(C)c2ccccc2)cc1	1318021525	DOVMKBGHNANBFM-UHFFFAOYSA-N	313.357	1.593	50	20	DDGD	
N#CCOc1cccc(CNS(=O)(=O)CBr)c1	1328649990	OHYASRKRWXLLRR-UHFFFAOYSA-N	319.180	1.361	50	20	DDGD	
CN(C[C@H](O)C1CC1)S(=O)(=O)c1ccc(CCl)cc1	690249421	MEVUDCQAOZXITH-ZDUSSCGKSA-N	303.811	1.817	50	20	DDGD	
O=C(NNC(=O)c1cccc(O)c1O)c1ccccc1Cl	1320742732	ZGTMMMYMTYNETH-UHFFFAOYSA-N	306.705	1.826	50	20	DDGD	
C#CC[C@H](CCOC)NC(=O)NNC(=O)c1ccccc1Cl	1330578468	MAUOVKCBKXKQMH-LLVKDONJSA-N	323.780	1.712	50	20	DDGD	
OB(O)[C@@H]1CCN(Cc2cc(F)cc(Br)c2)C1	585077177	SFFQEHYQKPXXGP-SECBINFHSA-N	301.952	1.637	50	20	DDGD	
COc1ccc([C@@H](CNC(=O)CCl)N2CCOCC2)cc1	1341509980	VLFPAUCAKWIYIZ-CQSZACIVSA-N	312.797	1.424	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)[C@H]1CCCCO1)c1ccc(F)cc1	1348090857	AVPWZUSTPWAFFP-ZWNOBZJWSA-N	309.341	1.786	50	20	DDGD	
O=C(NNC(=O)c1c[nH]nc1-c1cccnc1)Nc1ccccc1	1344706007	QYVVDLYVBZWCIX-UHFFFAOYSA-N	322.328	1.938	50	20	DDGD	
CO[C@H]1CCC[C@@H]1C(=O)NNc1cccc(S(C)(=O)=O)c1	1353628468	LCLYDYGAPPMKDZ-STQMWFEESA-N	312.391	1.348	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC12CN(C(=O)OC(C)(C)C)C2	1353265343	MKFRYPJEFWRKQS-XFXZXTDPSA-N	321.377	1.652	50	20	DDGD	
O=C(CCCNC(=O)C1CC1)NNc1cccc(C(=O)O)c1	1601268081	QJRZFUVNGJFHNC-UHFFFAOYSA-N	305.334	1.134	50	20	DDGD	
COc1cccnc1C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1607349306	ZPYGISZJYJNFAT-UHFFFAOYSA-N	318.241	1.916	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@@H]1CC[C@@H]2CCCCN21	1608828355	APHBGMVMGAXGGL-GWCFXTLKSA-N	321.352	1.984	50	20	DDGD	
CC1(C)C(C)(C)C1(C(=O)O)C(=O)NNC(=O)NCc1ccco1	1603312034	JDCVHVZODONUFV-UHFFFAOYSA-N	323.349	1.247	50	20	DDGD	
O=C(O)C[C@H](CNC(=O)NNC(=O)c1ccccc1F)C1CC1	1601891845	MSVIQTAPAKKHQU-SNVBAGLBSA-N	323.324	1.271	50	20	DDGD	
Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNc1cccc(Cl)c1	1605452935	QMWGMWFCJWXMIM-UHFFFAOYSA-N	317.740	1.914	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)C1CCN(C2CC2)CC1	1608948294	MMQPSXLICGDJCL-UHFFFAOYSA-N	303.362	1.702	50	20	DDGD	
Cc1c(NNC(=O)NC[C@@H]2CC[C@@H](C)O2)cccc1C(=O)O	1600050824	JVWACSOMBSODQE-KOLCDFICSA-N	307.350	1.887	50	20	DDGD	
CCCCOC(=O)/C(C#N)=C\c1cc(-c2nn[nH]n2)n(C)c1C	1604186933	XULGWLGZDLYIDV-GHXNOFRVSA-N	314.349	1.764	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCCOc1ccc(C(=O)O)cc1	1605618906	QSHJHZVLNCSTLB-BENRWUELSA-N	304.302	1.324	50	20	DDGD	
Cc1cc(=NNC(=O)Nc2ccc(CC(=O)O)cc2)cc[nH]1	1600282460	AJNBTHPQIBOZNQ-UHFFFAOYSA-N	300.318	1.588	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C2(C(=O)O)CC=CC2)cc1	1604334000	LKONQCIRSKEEER-UHFFFAOYSA-N	318.329	1.266	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CC[C@H](C(=O)O)[C@@H]2CCCC[C@@H]21	1605616839	UAQOVKOKZUNWCS-SJYCYEEASA-N	306.362	1.922	50	20	DDGD	
N#C[C@H](CCc1ccccc1)C(=O)NNc1ccc(C(=O)O)cn1	1601049570	ZXTLHNFIYYNOQK-ZDUSSCGKSA-N	324.340	1.995	50	20	DDGD	
C[C@@]1(CNc2cncc(-c3nn[nH]n3)n2)C[C@H]1Br	1603808259	UOVOAWZREVXTEE-XCBNKYQSSA-N	310.159	1.242	50	20	DDGD	
O=C(O)Cc1ccc(NC(=O)NNc2ncc(F)cn2)cc1	1602125063	OQBOPCBKGHFIFV-UHFFFAOYSA-N	305.269	1.391	50	20	DDGD	
Cc1oc(CN(C)C(=O)NNC(=O)C2CCCC2)cc1C(=O)O	1610582086	LBAXPVWSWWPLHM-UHFFFAOYSA-N	323.349	1.649	50	20	DDGD	
CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)Br	1801960899	LDJYHWGQMUJQCF-BBHBSTQDSA-N	303.200	1.428	50	20	DDGD	
O=C1OCCN1C1CCN(S(=O)(=O)CCCCCl)CC1	851858110	DRIYWZHXJUTLOV-UHFFFAOYSA-N	324.830	1.252	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1scnc1C	1549315982	DJPKCQVNMKXUOC-NWDGAFQWSA-N	308.407	1.155	50	20	DDGD	
CC(CCN(C)C)=NNC(=O)[C@H]1CCCO[C@H]1c1nccn1C	1549312518	WNAROMZMZADIBZ-UONOGXRCSA-N	321.425	1.332	50	20	DDGD	
CC(CCC(F)(F)F)=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549321884	VUIVQYBAPQGQCI-GHMZBOCLSA-N	307.316	1.684	50	20	DDGD	
CC1(C)CC2(CO1)CC(=NNC(=O)[C@H]1CN3CCC[C@H]3CO1)C2	1550695283	CJEIIZMWBHOBPK-RFOFMGPBSA-N	321.421	1.301	50	20	DDGD	
C=C(Cl)C[C@@H](N)C(=O)NNC(=O)c1nc2ccccc2s1	1574856741	GDEHORJZTQKIQR-MRVPVSSYSA-N	324.793	1.527	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@]2(C)CCNC2)c1C	1574165385	GOULSCNUJKIVPX-DYVFJYSZSA-N	319.405	1.218	50	20	DDGD	
Cc1cc(F)c2c(c1)N[C@@H](C(=O)NNC(=S)NC(C)(C)C)C2	1579611263	RTSSILGTWOFCLZ-GFCCVEGCSA-N	324.425	1.765	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@]1(C(=O)O)C[C@H]1c1ccccc1	1589693371	JEQOALSPRYEGTL-ZBEGNZNMSA-N	304.346	1.438	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1cc2c(C)nn(C)c2s1	1589012469	LTEDUTWVFBPZAO-UHFFFAOYSA-N	309.351	1.051	50	20	DDGD	
CC(=NNC(=O)c1cccn1C)c1cccc(-c2nn[nH]n2)c1	1588776539	RBWJWEVFSSLKQS-UHFFFAOYSA-N	309.333	1.359	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cc(C(=O)O)n[nH]1	1594331643	UNFUSPCSZIBDHC-UHFFFAOYSA-N	305.250	1.081	50	20	DDGD	
COc1ccc(NC(=O)NN=Cc2cc(C(=O)O)n(C)c2)cc1	1599594403	QBTHJJDBKKQLFZ-UHFFFAOYSA-N	316.317	1.888	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CC[C@H]2C(=O)O)c1C	1593897289	LLVXUQKEZDCSQX-WDEREUQCSA-N	306.318	1.336	50	20	DDGD	
CC[C@@H](NC(=O)NNc1ncccc1C(=O)O)C(F)(F)F	1593602858	JMAJPMRUKNJNFA-SSDOTTSWSA-N	306.244	1.747	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CNC(=O)c2cccs2)n1	14513567	BPCRROBFAYZKNU-UHFFFAOYSA-N	305.363	1.028	50	20	DDGD	
Cc1csc(=O)n1CCC(=O)NNC(=O)c1ccccc1	16497951	OJDOPHDUKNFFTR-UHFFFAOYSA-N	305.359	1.070	50	20	DDGD	
O=C(NNc1ccccc1Cl)[C@@H]1CC(=O)N(c2cn[nH]c2)C1	158457481	HKMJDMKFWHZSSC-SECBINFHSA-N	319.752	1.559	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccccc1OC(C)(C)C	160404153	FMZTWCOZYZUBCL-UHFFFAOYSA-N	308.382	1.578	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(C(F)(F)F)nc2)[nH]n1	153264505	HFFSUUXYKNDFAK-UHFFFAOYSA-N	313.239	1.207	50	20	DDGD	
COc1ccc(Cl)cc1C(=O)NNc1ncnc2nc[nH]c12	156278384	KRPGBOIWBUUHKC-UHFFFAOYSA-N	318.724	1.772	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1	285774333	AJSUJITVGPJPDP-JTQLQIEISA-N	309.322	1.031	50	20	DDGD	
O=S(=O)(CBr)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2	363700195	MMVLZIJALKKONL-AEJSXWLSSA-N	324.240	1.606	50	20	DDGD	
C[C@@H](O)CN(Cc1ccccc1)S(=O)(=O)CCCCl	881929878	AXQHBXGUEJRSEN-GFCCVEGCSA-N	305.827	1.828	50	20	DDGD	
O=C1CCC[C@@H](C(=O)NNc2ncc(Cl)cc2Cl)N1	274745324	MOJFSEJOFRXVOL-QMMMGPOBSA-N	303.149	1.500	50	20	DDGD	
CC[C@H](CC(=O)NNC(=O)C(=O)NC(C)C)c1ccccc1	103428265	HEKCNUXTWUSQQS-GFCCVEGCSA-N	305.378	1.242	50	20	DDGD	
O=C(CNC(=O)c1c(F)cccc1Cl)NNc1ncccn1	107344815	RSCLYUDGNPGYPR-UHFFFAOYSA-N	323.715	1.142	50	20	DDGD	
CC(C)C1(CNC(=O)NNC(=O)COCc2ccccc2)CC1	176029228	QJIWAUCDFLBILX-UHFFFAOYSA-N	319.405	1.970	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@@H]1CCOc2ccccc21	103422952	JDBAACYGDRPCFC-CQSZACIVSA-N	311.341	1.338	50	20	DDGD	
Cn1cc(/C=C/C(=O)NNc2nc(-c3ccccc3)no2)cn1	110854464	FSVPKXVPCNCXRK-BQYQJAHWSA-N	310.317	1.627	50	20	DDGD	
CCNC(=O)NNC(=O)c1c[nH]nc1-c1ccc(Cl)cc1	104328601	VOIOWSKHCIDSLY-UHFFFAOYSA-N	307.741	1.694	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cc2c(s1)CCCCCC2	171351211	YRZSIIZPLODTCK-UHFFFAOYSA-N	309.435	1.730	50	20	DDGD	
COc1cc(C)ccc1NC(=O)C(=O)NNc1ccc(C#N)cc1	119652819	GNWYWZDLYOQRCG-UHFFFAOYSA-N	324.340	1.957	50	20	DDGD	
O=C(NC/C=C/C1CC1)NNC(=O)Nc1ccc2c(c1)OCO2	1261284147	QAFYHCDOOGAVFH-OWOJBTEDSA-N	318.333	1.717	50	20	DDGD	
CS[C@H](C)C(=O)N/N=c1\nc(-c2ccccn2)[nH]c(C)c1C	114892684	DATUEMQZOADUMS-LLVKDONJSA-N	317.418	1.772	50	20	DDGD	
CSC[C@@H]1CCCN1C(=O)NNC(=O)c1cccc(C#N)c1	119536308	URCFWHUVJNKVPF-ZDUSSCGKSA-N	318.402	1.740	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1ccc(N2CCCC2)nc1	123388830	ZUGMKYKHRUQTNN-RVDMUPIBSA-N	314.389	1.741	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCc1nc(C)cs1	67456182	XBMCQXMYLDSBFU-UHFFFAOYSA-N	320.374	1.604	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Nc1cc(C)ccn1	184260641	PFUGLSIEQGXMQG-UHFFFAOYSA-N	314.345	1.794	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCc2ccncc2)c1	79044373	IWUSEVPHBLDTHW-UHFFFAOYSA-N	313.361	1.292	50	20	DDGD	
COC[C@@H](C)n1ccc(NC(=O)NNC(=O)c2ccccc2)n1	189856800	ZYFIXSKEBGSLAK-LLVKDONJSA-N	317.349	1.557	50	20	DDGD	
O=C(CN1CCCCC1=O)NNc1ncc(Cl)cc1Cl	132547988	XPEPQIUFIUNJMO-UHFFFAOYSA-N	317.176	1.844	50	20	DDGD	
Cc1cccnc1NC(=O)NNc1cccc(S(C)(=O)=O)c1	183088357	JAKWCYDQNARTJC-UHFFFAOYSA-N	320.374	1.942	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1Cl	182608853	XPSKSUYNOAIBMD-UHFFFAOYSA-N	323.702	1.681	50	20	DDGD	
CCNC(=O)CCCC(=O)NNc1ncnc2ccsc12	132672250	DOEFRHMHTYHUOR-UHFFFAOYSA-N	307.379	1.441	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)Nc2ccc(F)cc2F)nn1	133976585	KYACEZKVJCNCCH-UHFFFAOYSA-N	308.248	1.002	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(F)cc2)ccc1S(N)(=O)=O	135364022	YHHBNXVKBRLCFI-UHFFFAOYSA-N	323.349	1.538	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cc(COC)on1)c1ccccc1	80189842	XUZLNOAAZHEGSI-ZDUSSCGKSA-N	317.345	1.776	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)nc1)C(=O)c1ccccc1	194126137	AJEHAZNOMFWKNG-UHFFFAOYSA-N	303.705	1.379	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2cc1O)C1=COCCO1	138442620	WWSOTAGFEKQQNZ-UHFFFAOYSA-N	314.297	1.195	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1cccc(-c2ncn[nH]2)c1	132555108	IAPHFMDJFBUMDR-UHFFFAOYSA-N	323.312	1.252	50	20	DDGD	
O=C(NCc1ccc(OC(F)F)cc1)NNc1ncccn1	43779173	YCVHXUQOSDCEHE-UHFFFAOYSA-N	309.276	1.904	50	20	DDGD	
COc1nc(C(=O)NNC(=O)c2cccnc2)cc2ccccc12	139573549	SKKMRPDVYIGWBU-UHFFFAOYSA-N	322.324	1.713	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)C(=O)Nc1ccc(F)nc1	131376252	DGSGZQBXVGHRSX-UHFFFAOYSA-N	310.235	1.581	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cccnc2-n2cccn2)n1	192984041	LUIKLDRYXXDGHS-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@@H]2CCCc3cccnc32)n1	192891724	YGXFNXKHDUSPPA-SECBINFHSA-N	318.768	1.670	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cn(C)nc2-c2ccccc2)[nH]n1	89345055	YSMFCXRCMBJVLG-UHFFFAOYSA-N	324.344	1.193	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)Nc1ccncn1	194086168	PGIGXSHZRRJRNJ-UHFFFAOYSA-N	323.316	1.333	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C[C@H]1CCCO1	46755762	VBKWZGBADPCFHI-GXFFZTMASA-N	310.325	1.310	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCC[C@@H](C)C1	136177272	YRVWYMWQDPWJLH-CYBMUJFWSA-N	303.406	1.417	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc(=O)c2ccccc2o1	139420711	UUWOIZBUQLQLCD-UHFFFAOYSA-N	301.302	1.147	50	20	DDGD	
O=C(CSCc1ccncc1)NNC(=O)c1ccncc1	194377690	INPOIKIFIFAMAL-UHFFFAOYSA-N	302.359	1.171	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNc2ccnc(F)c2)cc1	190307142	BPOBOINXEPWSNK-UHFFFAOYSA-N	302.309	1.865	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1C1CCCC1)c1ccccc1	269655195	WCTNKLSSJCZGAE-HNNXBMFYSA-N	301.390	1.855	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)N[C@H](C)CCOC	263783014	WQPRXKUYBFINNG-GFCCVEGCSA-N	323.393	1.383	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H]1COc2ccccc2O1)C1CC1	263900488	RCJSWFZJKRGNJA-ZANVPECISA-N	321.402	1.120	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)Cc2ccco2)cc1	268789358	BDMCNRNQIAJJRS-UHFFFAOYSA-N	302.330	1.611	50	20	DDGD	
CCCC[C@@H](COC)NC(=O)NNc1nc(C)cc(OC)n1	266916065	AVBYKAZFWOCDMI-NSHDSACASA-N	311.386	1.625	50	20	DDGD	
O=C(CCc1nnc(-c2ccccc2)o1)NNC(=O)C1CCC1	264786558	RAVBDJNWSUKVRF-UHFFFAOYSA-N	314.345	1.617	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	278540721	FXEACAUYBURZRH-MEBBXXQBSA-N	310.325	1.068	50	20	DDGD	
C=CCN(C)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	278122510	STWCOHACFGVHIA-SNVBAGLBSA-N	311.769	1.966	50	20	DDGD	
COc1ccccc1COC[C@H](O)CN1CC=C(C#N)CC1	272586160	FMWCUUADNGUFDR-MRXNPFEDSA-N	302.374	1.728	50	20	DDGD	
CC(C)[C@H](O)CC(=O)NNC(=O)[C@H]1CCO[C@@H]1c1ccccc1	276898473	RVMUXCWJDMPZNM-SQWLQELKSA-N	320.389	1.319	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1	371363283	CPFSZJCWGGDQLF-YPMHNXCESA-N	323.324	1.122	50	20	DDGD	
COCCN(C)NC(=O)Cc1nc(-c2cccs2)oc1C	288297111	BNFOSHLSXJUQHQ-UHFFFAOYSA-N	309.391	1.863	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)Nc2cccc(Cl)c2)CCC(=O)NC1	283745346	JICARUZMAPGCTF-AWEZNQCLSA-N	324.768	1.409	50	20	DDGD	
Cc1cccc(CN2CCCC[C@@H]2C(=O)NN(C)C(N)=O)c1	378488236	NFGWORUFRNGISE-CQSZACIVSA-N	304.394	1.391	50	20	DDGD	
CC(C)n1ccc(NC(=O)C(=O)NN(C)c2ccccc2)n1	281059982	PTFQOMNUEWXWKC-UHFFFAOYSA-N	301.350	1.570	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@H]1O[C@@H](C)C[C@H]1C	282765863	UNJZNNQHWJEYBK-JRPNMDOOSA-N	322.361	1.035	50	20	DDGD	
CCOC(=O)c1scnc1/C=C(\C#N)C(=O)N1CCCC1	280063393	OYWSTVFHWGRZIA-JXMROGBWSA-N	305.359	1.849	50	20	DDGD	
Cc1cc(F)cc2[nH]c(C(=O)NNC(=O)[C@@H]3CC[C@H](C)O3)cc12	294041626	YHWXGXRSKAAXCD-XPTSAGLGSA-N	319.336	1.944	50	20	DDGD	
C[C@@H]1CCCN(C[C@@H](C)NC(=O)NNc2ncncc2F)C1	293046991	OZFZORACUQQVGS-GHMZBOCLSA-N	310.377	1.362	50	20	DDGD	
CCO[C@@H]1C[C@@](CO)(NC(=O)NCCSSC)C1(C)C	807233878	OQJXLMUSODJBTR-MFKMUULPSA-N	322.496	1.863	50	20	DDGD	
CO[C@H](C)c1nsc(NC(=O)NNC(=O)c2cccn2C)n1	809925403	KDALHJYJRNDKSL-SSDOTTSWSA-N	324.366	1.051	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)c1ccc2c(c1)OCCO2)C1CC1	290929796	IXWHHTATIFIVMY-INIZCTEOSA-N	320.345	1.034	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)CCCCc2c[nH]nn2)c1	293972682	QVFOYVJWSGLSJQ-UHFFFAOYSA-N	316.365	1.619	50	20	DDGD	
O=C(NNc1cccc(F)n1)C(=O)Nc1ccc2n[nH]cc2c1	807391419	QUIGQENZAWDNGH-UHFFFAOYSA-N	314.280	1.179	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@@H]1CCC[C@@H]2OCC[C@@H]21	298110169	YOAXWLFTLVHNLF-JLLWLGSASA-N	312.320	1.944	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCC(C(N)=O)CC1	298306489	OGISLFOWGGJPGG-LCYFTJDESA-N	301.321	1.457	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	294200929	KYCJQYVHESVWFU-HUBLWGQQSA-N	320.389	1.589	50	20	DDGD	
CCc1ccccc1N1C[C@H](C(=O)NN(C)CCOC)CC1=O	293503477	BQTLALZLBTZFQS-CQSZACIVSA-N	319.405	1.211	50	20	DDGD	
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)CC1CC1	294170834	NSRPJTGOGTWZLY-VIFPVBQESA-N	323.780	1.406	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)O1	802101308	JQVDCCPVENMJDL-ZYHUDNBSSA-N	321.333	1.526	50	20	DDGD	
CN1CCc2ccc(NC(=O)NNC(=O)[C@H]3CCCCO3)cc21	296432713	SNWDHLLSRONFMT-CQSZACIVSA-N	318.377	1.401	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc(F)cc(Cl)c2O)O1	295226133	BXKLPZZRYWZNKV-WKEGUHRASA-N	316.716	1.513	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)COc1cccc(C)c1)OC	291069628	GWPWMDVMRCOMFX-GFCCVEGCSA-N	309.366	1.129	50	20	DDGD	
Cc1nn(C(C)C)c(C)c1CC(=O)NNC(=O)c1ccncc1	292420405	ZTTZMKBXPKOFKM-UHFFFAOYSA-N	315.377	1.480	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)COC[C@@H]1CCCO1	805382724	VQEBUCOFERFUAZ-LBPRGKRZSA-N	309.322	1.542	50	20	DDGD	
Cc1cc(C)nc(-n2nc(C(=O)NN(C)C3CC3)cc2C)n1	819650136	GCYMJIDJGGASPA-UHFFFAOYSA-N	300.366	1.327	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)CCCC2CC2)C[C@@H](C)O1	812451553	IGPMTPNSYCZYDH-BETUJISGSA-N	311.426	1.213	50	20	DDGD	
CO[C@H](CNC(=O)NNc1ncncc1F)c1ccccc1	814283937	AYZLGWNPNPMFSZ-GFCCVEGCSA-N	305.313	1.630	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2ccc(OC)nn2)ccc1C	816689701	TZCMPFOQNIXNOZ-UHFFFAOYSA-N	316.317	1.337	50	20	DDGD	
C[C@@H](OC1CCCCCC1)C(=O)NNC(=O)c1ccnnc1	817693253	LMCIMIPINIBYKU-LLVKDONJSA-N	306.366	1.366	50	20	DDGD	
O=C(NN=C1CCN(CCO)CC1)c1c[nH]c2ccccc12	819801934	VXLXHNOTBRLARC-UHFFFAOYSA-N	300.362	1.342	50	20	DDGD	
Cn1cc(C=NNC(=O)COc2ccc(Cl)cc2)c(O)n1	814213598	PDQVUHYSPYBKOD-UHFFFAOYSA-N	308.725	1.308	50	20	DDGD	
CO[C@H]1CCC[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)C1	814362056	OBOQHZPBODXZML-JQWIXIFHSA-N	320.345	1.382	50	20	DDGD	
CC(=O)N1CCc2cc(C(=O)NNc3ncncc3F)ccc21	817082651	WBYGLJPMMRFFOV-UHFFFAOYSA-N	315.308	1.282	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)c1cccc(F)c1F	726523171	DKMRBADWLRAOCS-UHFFFAOYSA-N	324.258	1.944	50	20	DDGD	
Cc1c(C(=O)NNC(=O)N=c2cc[nH]cc2)ccn1C(C)C	816596007	KORVHQVAJLQMOQ-UHFFFAOYSA-N	301.350	1.661	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cccc(CO)c2)cc1	813366875	XIDJZRXBOPZXGG-UHFFFAOYSA-N	314.341	1.327	50	20	DDGD	
CN1CCC[C@@H](NC(=O)/C(C#N)=C/c2ccc(F)cc2)C1=O	490881775	YYPPYHYBVWHDCO-BRADTZPFSA-N	301.321	1.470	50	20	DDGD	
CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)NN(C)CCOC	495934101	YTLBAYTXLPAEPZ-HNNXBMFYSA-N	317.430	1.679	50	20	DDGD	
O=C(/C=C\c1ccc[nH]1)NNC(=O)c1cc(Br)c[nH]1	491988962	HEVRVLJWRBMFLR-ARJAWSKDSA-N	323.150	1.580	50	20	DDGD	
COC(=O)[C@@H](CO)NC(=O)CCCC[C@@H]1CCSS1	725906630	WTMHKSFJFONKNW-NXEZZACHSA-N	307.437	1.351	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cccc2c1CCCC2	495406311	CFSFGETVLGJCSS-UHFFFAOYSA-N	305.334	1.281	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)ccc1F	825547469	NDRGXKYLTGZQCW-CMPLNLGQSA-N	309.341	1.390	50	20	DDGD	
CCn1cc(NC(=S)NNC(=O)c2ccccc2O)cn1	726120104	CVVHUENDZDTQIL-UHFFFAOYSA-N	305.363	1.240	50	20	DDGD	
N#CCOc1ccc(CNC(=O)NNC(=O)C2CCCC2)cc1	727942664	WTMABVHWXODRMG-UHFFFAOYSA-N	316.361	1.610	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H]1CC[C@H](C#N)C1	823011425	BCZSVBWUFFRTGB-WDEREUQCSA-N	302.334	1.331	50	20	DDGD	
N#CCN1CCC(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)CC1	491162728	TZIDCKYQMYJZJQ-WJDWOHSUSA-N	324.384	1.651	50	20	DDGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)O)nn2)cc1	490726080	NQHWTFHOAVAUHN-IZZDOVSWSA-N	311.301	1.217	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCCC[C@@H]1COC(=O)NC(C)C	490941454	LBDJOJIUKSYWAM-QLKUMGTLSA-N	323.393	1.946	50	20	DDGD	
COCCC1(c2nc(-c3cccc(B(O)O)c3)no2)CCCC1	585054582	YDFDKWQRHLVHHZ-UHFFFAOYSA-N	316.166	1.265	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@H](O)C2CCC2)cc(C#N)n1C	491083670	MHOPDLGWNWLWMU-CQMBDMNQSA-N	312.373	1.389	50	20	DDGD	
Cc1cccnc1CCCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	826907310	NXZGGIBWMJAFQH-CHWSQXEVSA-N	320.393	1.078	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCC(C)(C)c2ccccn2)cn1	491046010	GHQHHYZLIINBKW-ZSOIEALJSA-N	309.373	1.816	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cccn2cc(C(F)(F)F)nc12	823912794	LMVHJYBMIKDNRY-QMMMGPOBSA-N	316.283	1.311	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H]2CCO[C@H]2c2ccccc2)cc1	585037707	HNPGZNGHOPPFLI-WMZOPIPTSA-N	311.190	1.234	50	20	DDGD	
CCc1ccc(C=NNC(=O)NCCNC(=O)OC(C)(C)C)o1	493539000	RQWIHGJCPOLQSJ-UHFFFAOYSA-N	324.381	2.000	50	20	DDGD	
Cc1nc(O)c(C(=O)NN(C)[C@@H](C)CO)cc1-c1ccccc1	823947040	RWGHQJGXUREPSZ-NSHDSACASA-N	315.373	1.720	50	20	DDGD	
Cc1cc(NC(=O)NNc2ccc(-c3nn[nH]n3)cc2)no1	826270141	MVPAENHOLMVENT-UHFFFAOYSA-N	300.282	1.312	50	20	DDGD	
O=C(CCOc1ccc(Cl)c(F)c1)N1CC[C@H](B(O)O)C1	585066606	MGNFQVHHXKSRGV-VIFPVBQESA-N	315.537	1.323	50	20	DDGD	
CC[C@@H](NCc1cccc(B(O)O)c1)[C@H](O)c1ccccc1F	585026234	DTORISOIUSEARU-IAGOWNOFSA-N	317.169	1.107	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccc(CC(F)(F)F)cc1	495367356	PDWJZXDKJAKZAR-UHFFFAOYSA-N	319.239	1.117	50	20	DDGD	
Cc1cc(NNC(=O)CCNC(=O)C2CCCCC2)ncn1	734253651	QHTUGYFFLYTCLH-UHFFFAOYSA-N	305.382	1.315	50	20	DDGD	
CC(C)[C@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1	584947577	VFFGTWLNIYNHIY-LBPRGKRZSA-N	307.174	1.404	50	20	DDGD	
O=C(NC1CCC(C2CCC2)CC1)c1cccc(B(O)O)c1	585007488	AUUFIPFXLXOWPS-UHFFFAOYSA-N	301.195	1.455	50	20	DDGD	
CO[C@H](CNC(=O)[C@@]1(C)C[C@@H]1Br)C(F)(F)F	906691503	ILIJELGSQKQXOD-BBVRLYRLSA-N	304.106	1.853	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NN(C)C(=O)OC(C)(C)C	496030146	PKKPGGKSMDBNAQ-UHFFFAOYSA-N	301.387	1.533	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@]2(c3ccccc3)CC2(C)C)n[nH]1	831419458	YXCMAIATTGGQLT-KRWDZBQOSA-N	312.373	1.847	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NN(C)C(N)=O	497187795	SIGVTWAQRUIURE-SECBINFHSA-N	302.375	1.064	50	20	DDGD	
O=C(c1ccc(OS(=O)(=O)CCl)cc1)N1CCCC1	830388319	PMOUHYPGMUZXAS-UHFFFAOYSA-N	303.767	1.828	50	20	DDGD	
C[C@H]1CC(=NNC(=O)COc2ccc(F)cc2)c2nccn21	834929426	BZWWQGIMGXWMNJ-JTQLQIEISA-N	302.309	1.886	50	20	DDGD	
COCc1cc(N2CC[C@H](B(O)O)C2)c2cc(F)ccc2n1	585079230	VNOBCEJRXFFFHC-JTQLQIEISA-N	304.130	1.573	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cnc(NC2CC2)s1	907968524	WKFPZISNDFASMP-UHFFFAOYSA-N	323.300	1.224	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)c2cc3c(s2)CCC3)COC1	836629718	HOCJJTXEOQPZKF-UHFFFAOYSA-N	323.418	1.607	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H]2CCCCC2(F)F)c(F)c1	585043630	PQQQBUXPDFEWRY-NSHDSACASA-N	301.117	1.421	50	20	DDGD	
COC(=O)C[C@H](NS(=O)(=O)CCl)c1ccc(F)cc1	830181385	OCKJKCRVTVWVHK-JTQLQIEISA-N	309.746	1.546	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2ccccc2O)c(O)c1	730835158	DLZXXFIWKJSCTM-UHFFFAOYSA-N	316.313	1.246	50	20	DDGD	
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NS(=O)(=O)CCl	831425693	LJEHHHFLOQACNG-ZYHUDNBSSA-N	319.810	1.523	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@H](C)[C@@H](C(=O)O)C1	833016379	UWMPRVCMYHFWBP-KWQFWETISA-N	313.785	1.531	50	20	DDGD	
CCC(CC)[C@@H]1C[C@H](NCc2cccc(B(O)O)c2)CCO1	585033311	CPPRHAXHXRNKIV-SJORKVTESA-N	305.227	1.440	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cccc(Cn2ccnc2)c1	732082717	KGEDVYFZIGBCQK-UHFFFAOYSA-N	324.344	1.038	50	20	DDGD	
O=C(O)c1ccc(C(=O)N2C[C@H]3[C@H](Br)[C@H]3C2)nc1	902741592	SUTGCNZDSXOLKI-MBTKJCJQSA-N	311.135	1.245	50	20	DDGD	
C[C@]1(C(=O)N2CCN(c3ccccn3)CC2)C[C@H]1Br	905086141	RJVHMCNUOPNTGZ-RISCZKNCSA-N	324.222	1.904	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc2c(c1)CCO2	831217570	BXYNYUPZFGKWHL-SKDRFNHKSA-N	305.334	1.199	50	20	DDGD	
C[C@H](Cc1cccs1)NC(=O)NNC(=O)[C@H]1CCCCO1	836215722	DURSFXDEQCOWMX-ZYHUDNBSSA-N	311.407	1.579	50	20	DDGD	
CCC(C)(C)OCCNC(=O)NNC(=O)c1cccc(C#N)c1	836276623	MVVXNUDNPCUNOJ-UHFFFAOYSA-N	318.377	1.707	50	20	DDGD	
COC(=O)NN=Cc1ccccc1I	916268737	KUMQTZFMUUKFTP-UHFFFAOYSA-N	304.087	1.981	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@H]1COc2ccccc2C1	916199187	KMBGURULMUIXOX-LBPRGKRZSA-N	305.378	1.614	50	20	DDGD	
CC[C@H]1CCC[C@@H]1C(=O)OCC(=O)NNC(=O)c1cccs1	837844837	DPALFRVGRRWMMC-QWRGUYRKSA-N	324.402	1.879	50	20	DDGD	
CCOC(=O)CCc1c(C)c(C=NNC(N)=O)c2ccccn12	915934088	RGDSIZQKEIOSIC-UHFFFAOYSA-N	316.361	1.746	50	20	DDGD	
Cn1cc(C(=O)CNC(=O)[C@@H](Br)C(C)(C)C)cn1	832598817	WSEKFVOTLRDBKT-SNVBAGLBSA-N	316.199	1.529	50	20	DDGD	
C[C@@H](CN1CCCCCC1)C(=O)NNC(=S)NC(C)(C)C	917572800	DAAOEXKEKFOTCA-LBPRGKRZSA-N	314.499	1.792	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)Cc1nc2ccccc2n1C	749758888	UYVQBGFFJPXFCX-JTQLQIEISA-N	319.434	1.410	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNc1cnnc2ccccc12	839683262	FMSPIZYVCVENPF-JTQLQIEISA-N	302.334	1.662	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@@H](C)CN2CCOCC2)c(C)c1	916364553	PEDQOXQUNCLDNJ-HNNXBMFYSA-N	303.406	1.722	50	20	DDGD	
O=C(CSc1ccccc1[N+](=O)[O-])NNC(=O)c1ccoc1	747183902	CINZZYBXTSUOSX-UHFFFAOYSA-N	321.314	1.741	50	20	DDGD	
O=C(NCc1ccc(F)cc1F)NNC(=O)c1ccccc1O	746964418	WGMVEVRNHHFCRQ-UHFFFAOYSA-N	321.283	1.815	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccc([N+](=O)[O-])cc1F	918367096	MNPUAVDXIYVZPH-UHFFFAOYSA-N	309.175	1.447	50	20	DDGD	
COc1cc(OC)c(/C=C(\C#N)S(=O)(=O)N(C)C)cc1F	844553470	UACGDBLRGVOZLL-BJMVGYQFSA-N	314.338	1.599	50	20	DDGD	
N[C@H](CNC(=O)NNC(=O)Nc1ccc(Cl)cc1)C1CC1	841964878	AZKONAXSAOJPPX-LLVKDONJSA-N	311.773	1.413	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)cc1F	845439305	WIUBIUZEVQIGCH-WQAKAFBOSA-N	323.324	1.558	50	20	DDGD	
Cc1nc(C=NNC(=O)c2cccc(S(C)(=O)=O)c2)cs1	915052331	KFKDJZDMCCOBBN-UHFFFAOYSA-N	323.399	1.619	50	20	DDGD	
O=C(NNC(=O)c1cccc(CN2CCCCC2)c1)NC1CC1	840287951	BKLBHZOMPRTGFA-UHFFFAOYSA-N	316.405	1.779	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)OC(C)C)cc1C(=O)O	842589337	JQDGKFXXJFIAJU-UHFFFAOYSA-N	316.335	1.021	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)NCC1(C#N)CCC1	842199326	TVCAMTDPONYQOJ-UHFFFAOYSA-N	322.390	1.410	50	20	DDGD	
C[C@H](CNS(=O)(=O)CCCCCl)C(=O)OC(C)(C)C	848489660	XLLNYUZLZJLALJ-SNVBAGLBSA-N	313.847	1.903	50	20	DDGD	
CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843654570	RVGKVZPKLMCCBT-YUELXQCFSA-N	320.389	1.725	50	20	DDGD	
CC(C)N1C(=O)C(=NNC(=O)N2CCOCC2)c2ccccc21	745603165	VIUUGMSNPHABCG-UHFFFAOYSA-N	316.361	1.188	50	20	DDGD	
COc1ccc(C=NNC(=O)CN2CCCC2=O)cc1Cl	741454237	DJYUXIGNOJDXNB-UHFFFAOYSA-N	309.753	1.421	50	20	DDGD	
CC(C)CC(=NNC(=O)C(=O)NC1CC1)c1ccc(F)cc1	844573193	WQUAWCDLXGIKIN-UHFFFAOYSA-N	305.353	1.971	50	20	DDGD	
O=C(Cc1nc2ncccn2n1)NNc1ccc(Cl)c(F)c1	748897356	CYOPQEPJPFSAGS-UHFFFAOYSA-N	320.715	1.603	50	20	DDGD	
C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NNC(=O)C(C)(C)C	917182621	MNBYKUKEKSPYAC-LLVKDONJSA-N	315.373	1.695	50	20	DDGD	
Cc1ccc(NCC(=O)NN=C2C(=O)Nc3cc(O)ccc32)cc1	915937109	JFGRJMBMJQMPBB-UHFFFAOYSA-N	324.340	1.585	50	20	DDGD	
CCN(CC(=O)NNc1cc(O)nc2ncccc12)C1CC1	913992042	MRYZGFXEZVKDJF-UHFFFAOYSA-N	301.350	1.263	50	20	DDGD	
COCCC[C@H](C)C(=O)NNc1ccc(CC(=O)OC)cc1	846378561	YKKAUOZZYIAOSR-LBPRGKRZSA-N	308.378	1.908	50	20	DDGD	
CCNCCCNC(=O)NNC(=O)c1cc2ccccc2o1	841917843	OIWVYTVCOOKUEH-UHFFFAOYSA-N	304.350	1.376	50	20	DDGD	
Cn1nc(C(=O)NNc2nc3ccccc3n2C)cc1C1CC1	848379887	SZXBWVFHVIFLBO-UHFFFAOYSA-N	310.361	1.941	50	20	DDGD	
COC(=O)c1cc(NNC(=O)N[C@H]2CCN[C@@H](C)C2)ccc1F	841986946	LPWTUJKQNZMRQO-UWVGGRQHSA-N	324.356	1.379	50	20	DDGD	
NNC(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl	841863849	FRNFZHJPYTXHHM-UHFFFAOYSA-N	312.679	1.696	50	20	DDGD	
CCOCCOCCNC(=O)NNc1ccc(F)c(F)c1	927540410	ZMMUWEBMDOQFAL-UHFFFAOYSA-N	303.309	1.644	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN(Cc2ccccc2)C1)C1CCC1	847480664	AFNONHJDDCYFHE-OAHLLOKOSA-N	301.390	1.456	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N[C@H](CO)C[C@@H]1CCCO1	923745825	QCNPFTICSDHRPP-YQPRGPPOSA-N	318.348	1.779	50	20	DDGD	
O=C(CCCc1ccc(F)cc1)NNC(=O)N1CCOCC1	847402607	HBWGISNOOBTSKA-UHFFFAOYSA-N	309.341	1.221	50	20	DDGD	
O=C(CC1CC1)NNC(=S)Nc1ccc2c(c1)OCCCO2	840762686	DRFSPWQXJOFWLC-UHFFFAOYSA-N	321.402	1.966	50	20	DDGD	
CCN(CC)S(=O)(=O)c1cccc(C(=O)NN=CC2CC2)c1	755468246	WSYAPEJVUIGJBE-UHFFFAOYSA-N	323.418	1.843	50	20	DDGD	
CC(=O)N[C@H](CCC(C)C)C(=O)NNc1ncccc1[N+](=O)[O-]	857151628	KAMGRFOLTOEJII-LLVKDONJSA-N	323.353	1.374	50	20	DDGD	
COCCN1C[C@H](C(=O)NNc2cc(F)ccc2C)CC1=O	855365073	BGSFDZXWROEBGK-LLVKDONJSA-N	309.341	1.072	50	20	DDGD	
CCN(CC(=O)NCCCSC#N)C(=O)OC(C)(C)C	854362152	CWQCEJFRWIWMCK-UHFFFAOYSA-N	301.412	1.964	50	20	DDGD	
Cc1nc(N)nc(C)c1C(=O)NNc1ccc(C#N)c(Cl)c1	753315070	BTKIUNKQECIESX-UHFFFAOYSA-N	316.752	1.958	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@H](O)c1cc(F)c(F)c(F)c1	856402674	DJSNXTCVOAIXPY-CRALRDPISA-N	314.263	1.697	50	20	DDGD	
CCOc1nc(C(=O)NNC(=O)Cc2ccc(F)cc2)co1	753981055	GUQQTRLITAMJNP-UHFFFAOYSA-N	307.281	1.216	50	20	DDGD	
COc1ccc(NNC(=O)c2cnn(C)n2)c(C(F)(F)F)c1	857264931	SAVQUBHLQKGNMO-UHFFFAOYSA-N	315.255	1.599	50	20	DDGD	
O=C(NC[C@@H]1CCCN1CC(F)F)NNc1ccc(F)cn1	858747672	SESAGZXMHXFXHM-JTQLQIEISA-N	317.315	1.576	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC(C)(C)OC)c1C	853793048	MUTCDYNAVRNQSV-UHFFFAOYSA-N	309.366	1.833	50	20	DDGD	
C[C@@H]1CCC[C@H](OCC(=O)NNC(=O)c2cccc(F)n2)C1	856424977	WXOYKWRIKJKTAT-MNOVXSKESA-N	309.341	1.577	50	20	DDGD	
COCCN1CC[C@@H](NC(=O)NNc2ccc(Cl)cn2)C1	852126561	DDXAPIDCSJYGGL-LLVKDONJSA-N	313.789	1.082	50	20	DDGD	
CNC(=O)NN=Cc1cn(-c2cccc(Cl)c2Cl)nn1	755661020	HWZKUHJCJRRESJ-UHFFFAOYSA-N	313.148	1.837	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1ccsc1	853391100	YXMUJYNBFKPIFQ-OCCSQVGLSA-N	307.419	1.842	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)Cn1cnc2ccccc21)C1CC1	920424526	BXPAFZGPMQVFGQ-LLVKDONJSA-N	300.362	1.620	50	20	DDGD	
CC(=O)N[C@H](CCC(C)C)C(=O)NNc1ccccc1[N+](=O)[O-]	854145762	YCRSUYOXLROZHR-CYBMUJFWSA-N	322.365	1.979	50	20	DDGD	
CN1C(=O)CC[C@@H]1CC(=O)NC[C@@]1(C)C[C@H]1Br	857733332	JDWADPSIWVKCNQ-KBVBSXBZSA-N	303.200	1.287	50	20	DDGD	
C[C@H](NC(=O)CC(C)(C)C)C(=O)NNc1ncc(Cl)cn1	857357840	FTOITROABGQHNA-QMMMGPOBSA-N	313.789	1.514	50	20	DDGD	
O=C(NN=C1CCc2c(F)cccc21)[C@H]1CCS(=O)(=O)C1	921259105	WNKDNCSZVBWRDA-VIFPVBQESA-N	310.350	1.027	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@@H](O)CC2)C[C@@H]1Br	856958312	KWZCUGIQMOBNCJ-JFGNBEQYSA-N	305.216	1.716	50	20	DDGD	
O=C1CC[C@@H](CC(=O)OC[C@@H](CBr)C2CC2)CN1	859717779	VPHHDABVSAJZFY-GXSJLCMTSA-N	318.211	1.867	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H](C)C2=CCN(C)CC2)c1	858354969	XEHDOOFCYQOYFM-LLVKDONJSA-N	322.434	1.651	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)CC[C@H]1NC(=O)NC1=O	928336626	WENKWSLBEHMDMJ-SNVBAGLBSA-N	310.741	1.080	50	20	DDGD	
O[C@@H]([C@H]1CCCN1CCI)C(F)(F)F	759359934	LVXDAKPQTOGZDY-RQJHMYQMSA-N	323.096	1.809	50	20	DDGD	
C[C@H]1CN(C(=O)NC[C@@]2(C)C[C@H]2Br)C[C@@H](C)O1	856902421	GQQFGFRFKHXJHS-DTHBNOIPSA-N	305.216	1.979	50	20	DDGD	
C[C@@]1(CNC(=O)Cn2cc(Cl)cn2)C[C@H]1Br	857389116	YFNNNXQANQIDHS-SCZZXKLOSA-N	306.591	1.826	50	20	DDGD	
CCOc1ccccc1C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	853387170	MXQNKGFHMDLIFM-ZBFHGGJFSA-N	317.389	1.399	50	20	DDGD	
CCC1=C(C(=O)NNC(=O)c2cccc(Cl)n2)CCCO1	857323438	MQZMXUMKWMETIL-UHFFFAOYSA-N	309.753	1.971	50	20	DDGD	
CCC1(C(=O)NNC(=O)CCc2ccc(OC)cc2)COC1	755237162	JHHSCHGGDYKERP-UHFFFAOYSA-N	306.362	1.202	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cc(F)cc2nn[nH]c12)C1CC1	855099838	OTXRDQZKDWXGKV-ZCFIWIBFSA-N	322.369	1.004	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NN=C[C@@H]2CC2(Cl)Cl)c1	853323553	YTNKMDAPRUCXLV-VIFPVBQESA-N	315.160	1.949	50	20	DDGD	
COc1ccccc1[C@H](C)N(CC(=O)NNC(=O)C(C)C)OC	932541086	JXTDACJDLJTOGI-LBPRGKRZSA-N	323.393	1.423	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc2cccnc2c1	865017000	ZTGQSCWWALDJAX-UHFFFAOYSA-N	302.334	1.215	50	20	DDGD	
COc1cccc(CCNS(=O)(=O)CC(C)(C)CCl)n1	866940339	NEQNQJCDESUIIN-UHFFFAOYSA-N	320.842	1.817	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCc1ccn2ccnc2c1	761993470	SKSWQLPXIVMYLM-UHFFFAOYSA-N	323.356	1.787	50	20	DDGD	
CCN1C[C@@H](CNS(=O)(=O)CC(C)(C)CCl)CC1=O	867460953	HILQHHVTEFEPMG-SNVBAGLBSA-N	310.847	1.039	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(NC(=O)OC(C)(C)C)nc1	863853762	CYJZQAAHWJFQDL-UHFFFAOYSA-N	310.310	1.429	50	20	DDGD	
O=C(NNC(=O)c1cc(F)cc(Cl)c1O)c1ccccn1	768904330	UNXIDDAJOQCAMG-UHFFFAOYSA-N	309.684	1.655	50	20	DDGD	
CC(C)OC(=O)CCCNC(=O)NNc1ccc(Cl)nn1	765905355	KNAQYGKHPAWTAV-UHFFFAOYSA-N	315.761	1.488	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@]1(c2ccccc2)CCCO1	930732854	BMTDLSBUHQMXHT-MRXNPFEDSA-N	321.377	1.059	50	20	DDGD	
N[C@H]1C[C@@H](CNS(=O)(=O)c2ccc(CCCCl)cc2)C1	866805650	RNHVVWYYKQGSRX-BETUJISGSA-N	316.854	1.874	50	20	DDGD	
O=C(/C=C/CN1CCOCC1)NNc1ccc([N+](=O)[O-])cc1F	869256892	SPEBLFWXTMLFQH-OWOJBTEDSA-N	324.312	1.065	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cc(C)nnc1C	767452993	IKWKTIZVQLITBS-UHFFFAOYSA-N	300.318	1.177	50	20	DDGD	
CCc1ccc(F)cc1C(=O)NNC(=S)NCCSC	867162978	VZZBISOYRRDMIF-UHFFFAOYSA-N	315.439	1.860	50	20	DDGD	
CCc1nn(C)c(Cl)c1C(=O)NNC(=O)c1ccccc1F	767189986	TYQVUJMXCMWIIF-UHFFFAOYSA-N	324.743	1.850	50	20	DDGD	
C[C@@H](NNC(=O)CCc1cccc2c1OCO2)C(F)(F)F	862317578	HIKYNRIZZJPZCQ-MRVPVSSYSA-N	304.268	1.920	50	20	DDGD	
CCn1nc(C=NNC(=O)CN2CCCC2=O)c2ccccc21	769781909	QPINDQRERRXCLI-UHFFFAOYSA-N	313.361	1.129	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2cn(CCC(C)C)nn2)c1	862476142	KDSWGIYRMMHISE-UHFFFAOYSA-N	321.406	1.769	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NC[C@H](O)COCC1CC1	768263936	JLUUZUMEXBWHQV-WDEREUQCSA-N	322.243	1.700	50	20	DDGD	
OB(O)c1ccccc1CNc1ccc(OC(F)F)cc1F	864036620	TYIPIOBMPDJZFA-UHFFFAOYSA-N	311.068	1.719	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C2[C@H]3CCCCCC[C@H]23)n[nH]1	869019312	USQIZIYUKBMMNI-STQMWFEESA-N	304.394	1.624	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc(COC(C)(C)C)cc1	763515625	SNSOKDOTJZRMOX-UHFFFAOYSA-N	307.350	1.108	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)CCc2ccccc2)CCC1=O	764075131	RJWDGLNCIFRRDE-OCCSQVGLSA-N	302.374	1.772	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cn3c(C)cccc3n2)n1	1116180479	ILMKXASWMNKRDF-UHFFFAOYSA-N	312.333	1.507	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1ccc2c(c1)CCC2	1116146110	XAULXBYVHIQPKD-CQSZACIVSA-N	315.417	1.594	50	20	DDGD	
CC(=NNC(=O)c1nnc(O)c2ccccc12)c1ccnn1C	765994755	KHTGSZIVLUCWML-UHFFFAOYSA-N	310.317	1.223	50	20	DDGD	
O=C(NNC(=O)[C@@]1(F)CCOC1)c1cccc(OC(F)F)c1	1117402291	USWVCAZUXKYAFT-CYBMUJFWSA-N	318.251	1.178	50	20	DDGD	
C[C@@H]1CN(C)C[C@@H](C(=O)NN=CC2([C@@H]3CCCCO3)CCC2)O1	872389393	IWNAHQSCLUQXTG-ILXRZTDVSA-N	323.437	1.547	50	20	DDGD	
C[C@@H](O)c1cn(CC(=O)NNc2cc(Cl)ccc2F)nn1	871271633	UICMBPGFFKPBLA-SSDOTTSWSA-N	313.720	1.267	50	20	DDGD	
NC(=O)c1ccc(NC(=O)NNc2ncc(F)cn2)cc1F	775599397	IEWQFIFOXHVSHB-UHFFFAOYSA-N	308.248	1.002	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H](C)CCCc2ccccc2)nc1O	776222102	GJFPKZURUCNJJJ-LLVKDONJSA-N	315.377	1.988	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCCc2ccccc21	771974693	ONRGLLKNMPWLRH-FZMZJTMJSA-N	318.373	1.596	50	20	DDGD	
O=C(Cc1ccccc1CO)NNc1ccccc1[N+](=O)[O-]	779716749	CLBWDNUVOIPTNB-UHFFFAOYSA-N	301.302	1.773	50	20	DDGD	
C#Cc1ccc(C(=O)NNc2cncc(Br)c2)cn1	1116389984	ULJOVAFTUMNYCX-UHFFFAOYSA-N	317.146	1.977	50	20	DDGD	
COCCOCC(=O)NN=C[C@](C)(CN(C)C)c1ccccc1	872399585	FNRQZEOLCOAQHO-QGZVFWFLSA-N	321.421	1.271	50	20	DDGD	
CC[C@H](C)[C@@H](CNC(=O)NNC(=O)c1ccc(OC)cc1)OC	1117809572	SFAQTWZPRNWZJB-SMDDNHRTSA-N	323.393	1.700	50	20	DDGD	
Cc1c(C#N)cccc1C(=O)NNC(=O)c1ccc(Cl)nc1	1116930289	UTCWKBWKFWZAGR-UHFFFAOYSA-N	314.732	1.990	50	20	DDGD	
O=C(CCCC(F)(F)F)NNC(=O)c1ccc2c(c1)OCO2	770572304	OBCASISHISCCRR-UHFFFAOYSA-N	318.251	1.909	50	20	DDGD	
CN(C)C1(C(=O)NNc2cccc(S(C)(=O)=O)c2)CCC1	776714682	KRYJUZBGBXONKO-UHFFFAOYSA-N	311.407	1.018	50	20	DDGD	
CCCOc1cccc(CC(=O)NNC(=O)c2ccccn2)c1	770128086	IURATGAKKFEDIC-UHFFFAOYSA-N	313.357	1.874	50	20	DDGD	
C[C@@H]1CCCC[C@H]1CC(=O)NNc1nc(O)c2cnn(C)c2n1	770980209	NSFXPXLAEFKGKV-ZJUUUORDSA-N	318.381	1.728	50	20	DDGD	
CC(C)Oc1cc(NC(=O)C(=O)NNc2ccccc2)ccn1	778693200	KJXMRTCZJPCRRX-UHFFFAOYSA-N	314.345	1.951	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1F)[C@@H]1CCc2nnnn2CC1	885106865	KWBANLJJVPXAAG-MRVPVSSYSA-N	324.747	1.561	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@@H]1CCc2c(O)cccc21	883462964	FLHWTPLFPIVPRY-CYBMUJFWSA-N	319.361	1.137	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cc(O)cc(C#N)c2)cc1	776316928	VJQBOLZDIHFWAQ-UHFFFAOYSA-N	309.325	1.901	50	20	DDGD	
C[C@@H]1NC(=O)[C@@H](C)N(S(=O)(=O)CC(C)(C)CCl)[C@@H]1C	882312869	FUZBIUROGVRUNW-IVZWLZJFSA-N	310.847	1.179	50	20	DDGD	
NC(=O)NCc1cn([C@]2(Cl)C[C@H]2CCBr)nn1	881384019	YPCYFMSVCYMCAE-HZGVNTEJSA-N	322.594	1.143	50	20	DDGD	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)O)cc1[N+](=O)[O-]	788688824	LRPWOPSFFALORN-WTKPLQERSA-N	306.230	1.138	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(C(F)(F)F)cnc1O	785846916	ZAMCWBJGDXARIB-UHFFFAOYSA-N	321.259	1.504	50	20	DDGD	
Cc1nnc([C@H](C)NC(=O)NC[C@]2(C)C[C@H]2Br)o1	1123661208	DFMNXKFXFRTQPM-QXHCQDJKSA-N	317.187	1.912	50	20	DDGD	
Cc1nnc([C@H](C)NC(=O)NNc2ncncc2Cl)s1	781016914	TZBAJIZVSCLDRH-YFKPBYRVSA-N	313.774	1.677	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)[C@H]1CN2CCCN1CC2	885125410	QGZUJIRWVLOSRI-CQSZACIVSA-N	308.813	1.481	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2cccnn2)CCc2ccccc2C1	882058238	MDZIBTVAHWOWHA-QGZVFWFLSA-N	310.357	1.433	50	20	DDGD	
COc1cccc(NNC(=O)Cc2ccc3c(c2)OCO3)n1	780772810	ZTYJOXAAKANBNL-UHFFFAOYSA-N	301.302	1.505	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2ncc(F)cn2)c1C	784955205	DVDYTLXLMIDFLT-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
CN1C[C@H](C(=O)NNc2cccc(C#N)c2)c2ccccc2C1=O	787457383	DYUMRFIQRAVWJZ-INIZCTEOSA-N	320.352	1.871	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccc(OC)nn2)c1	780796905	NGNIYSZTXCUXCW-UHFFFAOYSA-N	302.290	1.029	50	20	DDGD	
COc1cc(C(=O)NN=c2cc[nH]cc2)cc2c1OCCO2	780753996	YAVWXBDCKGRELI-UHFFFAOYSA-N	301.302	1.040	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2C[C@@]23C(=O)Nc2ccccc23)ncn1	894965304	GUANBWNITKNXOZ-ZBEGNZNMSA-N	309.329	1.138	50	20	DDGD	
COC1CCC(=NNC(=O)COc2ccccc2C#N)CC1	783811693	KFAWAXYETJOEEZ-UHFFFAOYSA-N	301.346	1.998	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)O[C@@H]2CCN(C)C2=O)c1	782443802	CEZSLYVMYFMMIX-CEFACKQISA-N	300.314	1.376	50	20	DDGD	
COc1ccccc1CONC(=O)NNc1ccc(C)nn1	798537529	FDZSDZNOIRBABP-UHFFFAOYSA-N	303.322	1.552	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)N2CCN(C)CC2)C12CCCC2	790173531	IDCOHSSZZWNMLA-AWEZNQCLSA-N	308.426	1.669	50	20	DDGD	
Cn1nc2c(c1C(=O)NNc1nc3ccccn3n1)CCCC2	791258722	HMRILAOGTCRYRT-UHFFFAOYSA-N	311.349	1.099	50	20	DDGD	
C[C@H]1CCC[C@@H]1CNC(=O)NNC(=O)COc1ccccc1F	798509766	XAGNJHYHMCENAD-NWDGAFQWSA-N	323.368	1.971	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc(-n3cccn3)cc2)n1	794077462	POXTXCIEBBDLQH-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
C[C@@H]1COC(=O)C1=NNC(=O)c1nnc(-c2ccccc2)o1	794900958	IMDOWHBSBQRMHP-MRVPVSSYSA-N	300.274	1.015	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccccc1-c1csc(C)n1	797669493	QRHKVVAIKNVYLM-UHFFFAOYSA-N	320.374	1.918	50	20	DDGD	
Cc1noc(C)c1[C@H](C)C(=O)NNc1nncc(N)c1Cl	1319219878	NMTJIJQFILVXAG-YFKPBYRVSA-N	310.745	1.564	50	20	DDGD	
COc1cc(CN2CC[C@H](NC(=O)CCl)C2)cc(OC)c1	1319921429	FKCCWLADIVHMFC-LBPRGKRZSA-N	312.797	1.633	50	20	DDGD	
CC(C)c1cccc(C(=O)NNc2nncc(N)c2Cl)n1	1322654969	HRVUPIUIJRPNFC-UHFFFAOYSA-N	306.757	1.988	50	20	DDGD	
CC[C@@H]1C[C@@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CCO1	1254358900	MHTBYQXHFUINPK-WDEREUQCSA-N	320.393	1.255	50	20	DDGD	
CC1(C)C[C@@H](C(=O)NNC(=O)CCOc2ccccc2)CCO1	1337095967	AYFYUJAEIFJLKD-ZDUSSCGKSA-N	320.389	1.808	50	20	DDGD	
C[C@]1(C(=O)NNc2cncc(Br)c2)CCOC1	1254705911	UEUJCZNMWRNUFQ-NSHDSACASA-N	300.156	1.714	50	20	DDGD	
Cn1ccnc1CCC(=O)NNc1cncc(Br)c1	1348172167	CZPDXJZPADNPSS-UHFFFAOYSA-N	324.182	1.654	50	20	DDGD	
CCCCSCC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1604190226	PUFJUMZJRIHWLH-UHFFFAOYSA-N	307.383	1.238	50	20	DDGD	
Cc1ccc(/C=C(\C#N)C(=O)OCCCC(=O)C(=O)O)cc1	1600396664	DBCPZWHDJKNICV-UKTHLTGXSA-N	301.298	1.879	50	20	DDGD	
N#Cc1c(F)cc(C(=O)NNc2ncccc2C(=O)O)cc1F	1605591183	VHGSKRCGPSXWJO-UHFFFAOYSA-N	318.239	1.687	50	20	DDGD	
Cn1nc(C(=O)O)cc1NC(=O)[C@]1(C)C[C@H]1Br	1608143818	IQJXTYVZHQCMHR-LHLIQPBNSA-N	302.128	1.230	50	20	DDGD	
O=C(O)C12CC(C(=O)NNc3cccc(F)c3[N+](=O)[O-])(C1)C2	1601728656	LNDLOALTPYZMLT-UHFFFAOYSA-N	309.253	1.432	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)N[C@@H]1CCn2ccnc21	1601559356	QNOPZHKIMQEKPD-SNVBAGLBSA-N	319.296	1.492	50	20	DDGD	
O=C(CNc1ccccc1F)NN=C1CCC[C@@H](C(=O)O)C1	1608342802	HHVCNMCLAPRURS-SNVBAGLBSA-N	307.325	1.985	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)C2CCOCC2)cc1Cl	1602330988	KJYLLNNQUDFWHJ-UHFFFAOYSA-N	310.737	1.915	50	20	DDGD	
Cc1cc(CNC(=O)NNc2ccc(C(=O)O)c(F)c2)ncn1	1600201374	ILRXOJLIDDYPTR-UHFFFAOYSA-N	319.296	1.449	50	20	DDGD	
O=C(O)[C@@H]1C[C@H](F)CN1CCCI	1602196979	AWHAMQWOBCCBHC-BQBZGAKWSA-N	301.099	1.309	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)CCc2ocnc2C(=O)O)c1	1607790741	DAXLFXGWMPEYER-UHFFFAOYSA-N	307.281	1.896	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)c1c[nH]c(C(=O)O)c1	1606180609	CQVHNZUQHIQOPU-UHFFFAOYSA-N	317.301	1.626	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@H]2C[C@H]2C(=O)O)C[C@H]1Br	1604577231	HDKPMJWQPDOFSQ-KCGFPETGSA-N	305.172	1.180	50	20	DDGD	
Cc1nocc1C=NNC(=O)[C@H]1CCCO[C@@H]1c1nccn1C	1549316946	SDQDCABWRIJPJZ-STQMWFEESA-N	317.349	1.335	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@@H]2C=NNC(=O)[C@H]2CCCCO2)cn1	1552454946	SQGYHGMGVGTEFL-BPLDGKMQSA-N	320.393	1.559	50	20	DDGD	
CCC(CC)(CN)C(=O)NNC(=O)c1ccc(OC)cc1OC	1577051548	VDVHXWIYYJMHBB-UHFFFAOYSA-N	323.393	1.230	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccccc2CN)nc1	1578873081	WHGMNUQIIIDMBS-UHFFFAOYSA-N	300.318	1.084	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)c1coc(-c2nn[nH]n2)c1	1582562722	ZSMOEIJWOWCCPV-UHFFFAOYSA-N	306.232	1.495	50	20	DDGD	
NC[C@H](C(=O)NNC(=O)c1ccccn1)C1CCCCCC1	1580216419	YXFCGOAILBNBKS-ZDUSSCGKSA-N	304.394	1.388	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1ccc(C(=O)O)c(F)c1	1588477439	QHLOGDXGAASGJM-ZDUSSCGKSA-N	305.309	1.065	50	20	DDGD	
CC(C)[C@H](C(=O)O)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	1588807891	KNIHIKZEGQGUKC-LBPRGKRZSA-N	322.365	1.262	50	20	DDGD	
Cc1cc(NNC(=O)C2(C(=O)O)CCSCC2)nc(C)n1	1594325238	KHSOQPOUURGNAY-UHFFFAOYSA-N	310.379	1.135	50	20	DDGD	
CCOC(=O)[C@@H]1CC[C@H](C(=O)NNc2ccc(C(=O)O)cn2)C1	1596680236	PMCDGWFHPPVMOC-VHSXEESVSA-N	321.333	1.202	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H](C)CC(=O)O)c(OC)c1	1598983993	FBFXYXUQAPWLTP-QMMMGPOBSA-N	310.306	1.036	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)C[C@@H]1Br	1594021797	LWHMOZQAXAGVDJ-KIKITERTSA-N	304.184	1.777	50	20	DDGD	
CO[C@H](C(=O)O)C(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	1593905757	RTTOQPNEZKPLSI-QWRGUYRKSA-N	317.458	1.709	50	20	DDGD	
CO[C@H](C(=O)NNc1ccccc1C(=O)O)c1ccc(O)cc1	1599029440	ZVGZKKCPQSEKRS-AWEZNQCLSA-N	316.313	1.921	50	20	DDGD	
CC1(C)OC[C@H](/C=C/C(=O)NNc2cccc(C(=O)O)c2F)O1	1593980686	MPDBVGGRIDYWMP-UCUJLANTSA-N	324.308	1.675	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)c1cc(-c2nn[nH]n2)cs1	1593163719	GOSIWOFZDGTUIL-UHFFFAOYSA-N	322.300	1.963	50	20	DDGD	
O=C(NC[C@H](C(=O)O)C1CCC1)NNc1ccc(Cl)cn1	1594737673	WYRFHYFURKIDLY-JTQLQIEISA-N	312.757	1.862	50	20	DDGD	
Cc1nsc(C=NNC(=O)Cc2ccccn2)c1C(=O)O	1776043398	MIBQNVGNVSFDRJ-UHFFFAOYSA-N	304.331	1.238	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=Cc2ccc(C(=O)O)nc2)c1	1776018627	KOXNYXANCZMXBQ-UHFFFAOYSA-N	312.329	1.610	50	20	DDGD	
CN1C[C@H]2C(=NNC(=O)c3ccc(C(=O)O)cc3)CCC[C@H]2C1	1776101557	NPZZYXAYNCARRS-UONOGXRCSA-N	315.373	1.832	50	20	DDGD	
CSCCCCC(=O)NNC(=O)c1c(C)nc2ccccn12	158875353	XMFNRIYYXNOXEE-UHFFFAOYSA-N	320.418	1.937	50	20	DDGD	
CO[C@H](C)C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1	151248134	XRUDYYWGKRODMW-MRVPVSSYSA-N	306.297	1.012	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)C(=O)Nc1ccccn1	152045276	LVHSBKDGZFUIHG-UHFFFAOYSA-N	318.720	1.135	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccc(N3CCNC3=O)cc2)cc1	155193926	SBAAHERKUNVDOS-UHFFFAOYSA-N	321.340	1.845	50	20	DDGD	
CN(C)Cc1cccc(C(=O)NNc2ccc(Cl)nn2)c1	156627128	LKRGSSLRECSOBG-UHFFFAOYSA-N	305.769	1.949	50	20	DDGD	
O=C1O[C@@H](C(=O)NNc2ccncc2Cl)Cc2ccccc21	154632730	AUJOWUFKPFKITG-CYBMUJFWSA-N	317.732	1.960	50	20	DDGD	
Cc1nc2n(n1)CCN(C(=O)[C@H](Br)C(C)(C)C)C2	274614903	OHEAMRIDWQMJCY-JTQLQIEISA-N	315.215	1.738	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2)on1)c1cscn1	103065738	LVZLNNBEZPHGOH-UHFFFAOYSA-N	314.326	1.873	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2n[nH]c3ccccc3c2=O)n1	109939151	RLRZWXHBKXREFG-UHFFFAOYSA-N	310.317	1.087	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)COC)c1C	57547054	FAMGSNRZYDNLFI-PFSWGADMSA-N	319.405	1.809	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)CNc2ccccc2)nn1C	175281879	XTIIEISQTSHIGQ-UHFFFAOYSA-N	315.377	1.417	50	20	DDGD	
O=C(CCOC[C@@H]1CCCO1)NNc1cccc([N+](=O)[O-])c1	178846508	BOJKHPLYAJIYOU-ZDUSSCGKSA-N	309.322	1.624	50	20	DDGD	
C[C@@H]1CCC[C@H](OCC(=O)NNC(=O)NCc2ccco2)C1	112631622	ZRFJNGOGGAVTMF-NEPJUHHUSA-N	309.366	1.705	50	20	DDGD	
CC(C)C(=O)N1CCC(C(=O)NNC(=O)CC(C)(C)C)CC1	103198349	QKKCRLGHDPEIEM-UHFFFAOYSA-N	311.426	1.465	50	20	DDGD	
C[C@@H]1CC[C@@H](CCC(=O)NNC(=O)c2cccc(N(C)C)c2)O1	174922291	PENAMIYWPGDFPF-DOMZBBRYSA-N	319.405	1.861	50	20	DDGD	
C=CC[C@H](C)NC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	116959168	NAIXKNOYOFCYOT-LBPRGKRZSA-N	313.361	1.781	50	20	DDGD	
O=C(NNC(=O)c1cnn(-c2ccccc2)c1)NC1CCCC1	68283952	IBBBDIDLONSYLC-UHFFFAOYSA-N	313.361	1.759	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(C2CC2)nc2onc(C(C)C)c12	56376965	YVEIJBMXTPNZEE-UHFFFAOYSA-N	317.349	1.797	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)[C@H]2C[C@@H]2C)cc1OC	24289489	QGPVYWBDPAIPEU-JQWIXIFHSA-N	306.362	1.901	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H](C)CSC	66927150	MMJUULMXHMZYBX-NSHDSACASA-N	310.419	1.774	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1ccnc(OCCN(C)C)c1	179704058	CSBXUNXFNBHSJK-WYMLVPIESA-N	318.377	1.082	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCO2)NNC(=O)NCc1ccco1	65176659	BRMQYFCOLDJDQY-UHFFFAOYSA-N	315.329	1.288	50	20	DDGD	
O=C(NNc1ncccn1)N[C@H]1CCCN(c2ccccc2)C1	115838045	MURGRYOBMBBCTQ-ZDUSSCGKSA-N	312.377	1.772	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1ccc(O)c(Cl)c1	173956186	YVADAZCLUBSBEZ-UHFFFAOYSA-N	304.697	1.469	50	20	DDGD	
COCCn1ccc(NC(=O)NNc2nc(C)cc(C)n2)n1	179818970	RDKDGKDHQQAGCM-UHFFFAOYSA-N	305.342	1.085	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	172086455	MOWAYVAXZLYMBT-UZWSLXQKSA-N	322.336	1.308	50	20	DDGD	
Cc1cc(C)cc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)c1	126128100	ACSTXMWJYCBSBK-UHFFFAOYSA-N	305.378	1.826	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cc(C)cc(F)c2)c1O	175618625	JAYGYWRXVVYBEB-UHFFFAOYSA-N	318.304	1.923	50	20	DDGD	
CC(C)CC1(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)CC1	127546634	QYWFQQUUSWQGBE-ZDUSSCGKSA-N	317.455	1.194	50	20	DDGD	
Cc1cc(F)cc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)c1	126170321	ZLVAXWYFEHSDPS-UHFFFAOYSA-N	309.341	1.656	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C(C)(C)COC	128917980	RXJDNVXQYYSRMQ-UHFFFAOYSA-N	308.378	1.448	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=O)[C@@H]2CCCO2)c1C1CC1	123381487	QUVXDEFQSYCJPA-LBPRGKRZSA-N	306.366	1.111	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cnc(-c2ccccn2)s1	123377137	GXDWWVMCOKYONU-UHFFFAOYSA-N	316.321	1.891	50	20	DDGD	
COC(=O)N[C@@H](CC(C)C)C(=O)NNc1cc(Cl)ccn1	182958656	JHASRVXZAHHAKC-JTQLQIEISA-N	314.773	1.949	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)C1[C@@H]2CCC[C@@H]12	186058052	UUNFCLZFUROICI-NXEZZACHSA-N	324.402	1.588	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)c1ccoc1C	186057306	AQUBZHICNBFHPB-UHFFFAOYSA-N	324.358	1.757	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)Nc1ccc(F)nc1	183238402	MEYVVNVLSDQVJV-UHFFFAOYSA-N	322.271	1.592	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H](C)C2CCC2)cc1	128023427	QFJGCXQIIPFEFJ-LBPRGKRZSA-N	305.378	1.893	50	20	DDGD	
CCn1nc(C)c(NC(=O)C(=O)NNC(=O)CC(C)(C)C)c1C	126191085	AWAFXKZTESRQGF-UHFFFAOYSA-N	323.397	1.042	50	20	DDGD	
CO[C@H]1CN(C(=O)NNC(=O)c2ccc(C)s2)CC[C@H]1C	187438160	GUDTZDLCNOKTLD-KOLCDFICSA-N	311.407	1.768	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Nc1cccc(C)n1	124241636	HUEADVHVUCZQCR-UHFFFAOYSA-N	314.345	1.794	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])c(O)c1	133151606	PAKQUZLLJPTYIQ-BVBCSLMJSA-N	305.290	1.358	50	20	DDGD	
C[C@H](c1ccccn1)N(C)CC(=O)NNC(=O)c1ccccc1	180203918	IAHDFOTWZGMJBI-CYBMUJFWSA-N	312.373	1.536	50	20	DDGD	
CC1CCN(c2ccc(NC(=O)NNC(=O)CO)cc2)CC1	183369230	KFLGQTNQQLMQJY-UHFFFAOYSA-N	306.366	1.068	50	20	DDGD	
O=C(C[C@@H]1CCCCO1)NNC(=O)c1cccc([N+](=O)[O-])c1	132673308	WKLMXGRTEAFQBH-LBPRGKRZSA-N	307.306	1.315	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)CCc2ccccc2)ccc1C#N	194772914	RDHIECVOPPQBHJ-UHFFFAOYSA-N	308.341	1.656	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCc1nnc(C2CCCC2)o1	132697405	KQDMMAUGIPRLGI-UHFFFAOYSA-N	323.397	1.790	50	20	DDGD	
C[C@H]1CCCN([C@@H](C)CNC(=O)NNC(=O)OC(C)(C)C)C1	46367468	ZTTBEERYHBWTLV-RYUDHWBXSA-N	314.430	1.846	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cccc(-n2cccn2)c1	191928810	OHXZZOBEYPLBER-UHFFFAOYSA-N	319.328	1.672	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Cn1nc(C)cc1C)c1ccccc1	198150019	MEZFXKVMFHPJFL-HNNXBMFYSA-N	314.389	1.841	50	20	DDGD	
CC[S@@](=O)c1ccccc1C(=O)NNC(=O)c1ccc[nH]1	135052294	GRXAZWJZBNNGGC-NRFANRHFSA-N	305.359	1.217	50	20	DDGD	
COc1cc(C=NNC(=O)c2cccnc2)ccc1OC(C)=O	254618897	SUKMZGGTCDNHSG-UHFFFAOYSA-N	313.313	1.779	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@H](C[C@@H](C)O)c1ccccc1	268380525	WXMVMPRQWSMDLM-HIFRSBDPSA-N	321.421	1.918	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)Cc2cc(C)[nH]n2)cc1	268058654	SJAJMYCYWLVDPA-UHFFFAOYSA-N	316.361	1.049	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CCc1cccs1	276504304	CSNWYCCRWJCNOV-UHFFFAOYSA-N	314.407	1.617	50	20	DDGD	
CC[C@@H]1C[C@@H](CC(=O)NNc2ccc(C(=O)OC)cn2)CCO1	272776054	HZTFKMBGPFHMSX-WCQYABFASA-N	321.377	1.907	50	20	DDGD	
O=C(CCOCC(F)F)NNc1nc(-c2ccncc2)no1	276675371	ZRADVZXXOTWPFS-UHFFFAOYSA-N	313.264	1.247	50	20	DDGD	
COCCC[C@H](C)C(=O)NNc1ccc(-n2ccnc2)nn1	278634757	NJYZEPWIKGFEEZ-NSHDSACASA-N	304.354	1.168	50	20	DDGD	
CC(=O)c1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)cc1	271706466	MQSDEJUSEWAYBU-UHFFFAOYSA-N	305.334	1.021	50	20	DDGD	
Cc1cn(-c2c(F)cccc2F)nc1C(=O)NNC(=O)C1CC1	276146214	PFXXQVWTADXEQU-UHFFFAOYSA-N	320.299	1.630	50	20	DDGD	
CN1C(=O)C[C@@H](C(=O)NNc2ncccc2F)c2ccccc21	375940123	FOXMKURGYWLAJG-LLVKDONJSA-N	314.320	1.814	50	20	DDGD	
CN1CCOc2ccc(NC(=O)NNC(=O)C3CCC3)cc21	272851654	QKZAYFVIJRAHFU-UHFFFAOYSA-N	304.350	1.468	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CC2(OC)CCC2)c1O	276871800	LGETVCIIDSWNHM-UHFFFAOYSA-N	308.334	1.121	50	20	DDGD	
COCC1(C(=O)NNC(=O)C(C)(C)c2ccccc2)CCC1	283895522	INLKMWLHGRTYFD-UHFFFAOYSA-N	304.390	1.928	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)N[C@@H](C1CC1)C(F)(F)F	288428459	PEQGGSHQUQOWST-VIFPVBQESA-N	302.256	1.367	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)COc1cc(C)ccc1C	281282019	XNVKDAVCYRUYKA-MRXNPFEDSA-N	308.378	1.645	50	20	DDGD	
O=C(CCCC1CCOCC1)NNc1ncnc2nc[nH]c12	282096842	VQRWIPZDDNEGKA-UHFFFAOYSA-N	304.354	1.393	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(CSc2nccn2C)o1	286426924	QUBWFOFKMJOURU-UHFFFAOYSA-N	324.362	1.648	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)CNC(=O)OC(C)(C)C)nc(C)n1	288025870	NQNMAMDZNRLHHG-SECBINFHSA-N	323.397	1.697	50	20	DDGD	
CC(C)O[C@H](C(=O)NNC(=O)c1cccn1C)c1ccccc1	292127859	CNLGXSOYQUTFDK-HNNXBMFYSA-N	315.373	1.952	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccnc(C)c2)cc1	801108504	OFIRZBHTGZKVMZ-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
O=C(NCC(Cl)Cl)c1cc2c(cc1[N+](=O)[O-])OCCO2	294711972	OUTUCKKJIXTUNC-UHFFFAOYSA-N	321.116	1.900	50	20	DDGD	
CCOC(=O)CC(C)(C)CC(=O)NNc1nc(C)cc(C)n1	806364972	LUNCYZDJWJJYPS-UHFFFAOYSA-N	308.382	1.906	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)c1c[nH]nc1[N+](=O)[O-]	801636179	LHULAOAKRQEMRR-UHFFFAOYSA-N	313.220	1.676	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)CNc2ccccc2)no1	295579163	DMVIYTOVUVSZTC-UHFFFAOYSA-N	302.334	1.500	50	20	DDGD	
N#Cc1ccc(Cl)c(C(=O)NNC(=O)CC(F)(F)F)c1	806536607	GYRMUFUTSIABDQ-UHFFFAOYSA-N	305.643	1.925	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNc2nc3ccccn3n2)cn1	807389421	CQVMTABKOFTJKF-UHFFFAOYSA-N	311.349	1.574	50	20	DDGD	
C[C@@H]1CSC[C@@H]1NC(=O)NNC(=O)c1cccc(C#N)c1	805066945	DUTAPQNGPMZPRL-SKDRFNHKSA-N	304.375	1.254	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C	807620866	RSPCHWWOHGJWLF-DZGCQCFKSA-N	318.421	1.636	50	20	DDGD	
CCc1oc(C=NNC(=O)Cc2ccncc2)cc1C(=O)OC	800813726	IEWWICUHZDOVTF-UHFFFAOYSA-N	315.329	1.716	50	20	DDGD	
CCc1ccc(CCC(=O)NNC(=O)[C@H]2CCCCO2)cc1	295341928	IAYPOWZYGJUYKI-OAHLLOKOSA-N	304.390	1.898	50	20	DDGD	
COCCCn1nccc1C=NNC(=O)CNc1ccccc1	802704201	JJYIPYJTCWGXSP-UHFFFAOYSA-N	315.377	1.482	50	20	DDGD	
O=C(COc1ccc([N+](=O)[O-])cc1)NNc1ncncc1F	817070642	KNYDRQONDAJFAT-UHFFFAOYSA-N	307.241	1.046	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1ccc(CN(C)C)cc1	814819105	BXAAZGOMLKOZSV-UHFFFAOYSA-N	306.410	1.808	50	20	DDGD	
CO[C@](C)(C=NNC(=O)[C@@H]1COc2ccccc2O1)C1CC1	814700702	BCDQMCSUERJNHC-GOEBONIOSA-N	304.346	1.744	50	20	DDGD	
C[C@@]1(C(=O)NNc2ncncc2F)Cc2ccccc2C(=O)O1	817083255	DOEHFOOWABFICY-HNNXBMFYSA-N	316.292	1.231	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2ncncc2F)c2ccccc21	817082132	OEPQHRORRPZNAH-NSHDSACASA-N	301.325	1.683	50	20	DDGD	
Cn1cc(C=NNC(=O)c2cnn(-c3ccccc3)c2)c(O)n1	814222570	BBVYCNMLDJBKSC-UHFFFAOYSA-N	310.317	1.075	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)[C@H]1CC2CCC1CC2	815509443	IOVZXJFCDVZJIP-BPCQOVAHSA-N	318.373	1.745	50	20	DDGD	
O=C(NN=C1COCCOC1)c1cccc(OC(F)F)c1	814835160	JIXDAKGYLDRHPA-UHFFFAOYSA-N	300.261	1.421	50	20	DDGD	
O=C(NNC(=O)c1cc(F)c[nH]1)c1cc(-c2ccccc2)on1	814842316	BUVXSMXPXHFVSQ-UHFFFAOYSA-N	314.276	1.884	50	20	DDGD	
C[C@@H](Cc1cnc2ccccc2n1)C(=O)NNC(=O)c1ccc[nH]1	814796874	UJAGSPCYPMBJJZ-NSHDSACASA-N	323.356	1.598	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)COc2ccccc2F)CC1(F)F	817514030	WOFNHZBQDXBINU-LBPRGKRZSA-N	302.252	1.397	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cccc(C#N)c2)cn1	728941628	FSHAIIZQKIAFHX-UHFFFAOYSA-N	311.301	1.428	50	20	DDGD	
O=C(NNc1ncncc1F)[C@H]1CCCN1Cc1ccccn1	817083607	OPPVQHCXLHRPEE-CYBMUJFWSA-N	316.340	1.118	50	20	DDGD	
CCN1CCC(CNC(=O)NNc2nc(C)cc(C)n2)CC1	726275608	TUHCYMJYSUJVSG-UHFFFAOYSA-N	306.414	1.451	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1ccccc1O	825624293	KRGCQWGKMCQHHE-UHFFFAOYSA-N	315.329	1.274	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)CC(C)(C)C)c1C(F)(F)F	728609778	CHSXQQYBCUZDSS-UHFFFAOYSA-N	306.288	1.636	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H](C)Cc1ccc(O)cc1	825895559	OQCZFFDVGIPUGH-SUNKGSAMSA-N	321.377	1.079	50	20	DDGD	
CC(C)N1CCC[C@@H](NC(=O)/C(C#N)=C\c2cnn(C)c2)C1	491009309	JSAOSFAENXPSOU-XIEDVDOYSA-N	301.394	1.316	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1	491727608	DCURYYJYXFQFKF-DAXSKMNVSA-N	315.289	1.101	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)OCC(F)(F)F)c(C)c1	825520142	TZMAYYQBVCIJJX-UHFFFAOYSA-N	320.267	1.866	50	20	DDGD	
C[C@H](C=NNC(=O)Cc1ccncc1)CNC(=O)OC(C)(C)C	495957866	RWRRQRMTGOASRP-LBPRGKRZSA-N	320.393	1.887	50	20	DDGD	
CC[C@H](c1ccncc1)N(CC)C(=O)c1cccc(B(O)O)c1	584951490	QZTBRRJEVORIDC-MRXNPFEDSA-N	312.178	1.375	50	20	DDGD	
Cn1c(=NNC(=O)[C@@](C)(C#N)CC(=O)O)sc2ccccc21	821256855	AXVDDTMRCOKKML-CQSZACIVSA-N	318.358	1.176	50	20	DDGD	
CCCN(NC(=O)C1(CO)CCOCC1)C(=O)OC(C)(C)C	496778583	WSIYVYNKSBLAOK-UHFFFAOYSA-N	316.398	1.454	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1coc2c(C)cccc12	820858326	UXDKLATXERDVAE-JTQLQIEISA-N	318.329	1.844	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1	823936033	YOMKXKHTLCXULU-PWSUYJOCSA-N	315.414	1.024	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CC23CCSCC3)cc1	822867629	FTXPAEXIPDJEFT-ZDUSSCGKSA-N	315.398	1.853	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=C(C)[C@H]1CCCO1	496729981	HVWFDXXTNJEVOI-CHWSQXEVSA-N	323.393	1.574	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@]1(C)COc2ccccc2O1	900001752	UVMPDWKTIPLALT-OAHLLOKOSA-N	323.418	1.510	50	20	DDGD	
Cc1nnc(CC(=O)NNC(=O)CCc2ccccc2)s1	825090354	TZJSHRDBSKNRBX-UHFFFAOYSA-N	304.375	1.169	50	20	DDGD	
C[C@]1(C(=O)NCC2(C(N)=O)CCCC2)C[C@@H]1Br	906708335	BHINXDOWACTCQC-KWQFWETISA-N	303.200	1.322	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)c1cncs1	734748218	MJQAJLUMPYGKEZ-UHFFFAOYSA-N	308.388	1.475	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1cc(-c2nn[nH]n2)cs1	823285563	WVIJMTFBDWNCGA-UHFFFAOYSA-N	322.741	1.129	50	20	DDGD	
CC(C)[C@@H](CC(F)(F)F)NC(=O)c1ccc(B(O)O)cc1	584978970	HFZHZOONDONRKG-LLVKDONJSA-N	303.089	1.073	50	20	DDGD	
O=C(CN1CSCCSC1)NNc1cc(Cl)ccn1	901350374	SGTGQTHMAOPENA-UHFFFAOYSA-N	318.855	1.875	50	20	DDGD	
OB(O)c1ccc(CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)o1	585032770	ZXJDNBZALBHRNR-BBRMVZONSA-N	315.178	1.217	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cccc2c1OC(C)(C)C2	492726773	YNEWBMNCUCXHFH-UHFFFAOYSA-N	321.333	1.116	50	20	DDGD	
CCC[C@H](C=NNC(=O)c1nn(C)c(=O)c2ccccc12)OC	834926477	OAAPOTRTHXHFDL-LLVKDONJSA-N	316.361	1.464	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C[C@@H]2CCOC2)c1	739679186	RKJZXGOFGSTAAY-ZDUSSCGKSA-N	306.362	1.256	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NN=c2cc[nH]c3ccccc23)CCC1	839664115	OUBHHTDRIPUTMO-UHFFFAOYSA-N	319.386	1.067	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@@H]2CCOC(C)(C)C2)n1	836674464	OKOMQXXVKVIDSG-GFCCVEGCSA-N	307.398	1.925	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CS[C@H](C)CC(=O)O	832977947	ZJLXQKRJKTYTOW-LLVKDONJSA-N	324.402	1.281	50	20	DDGD	
CON(C)C(=O)CCC(C)=NNC(=O)COc1cccc(C)c1	834923078	WYSUGYHDIPYDRI-UHFFFAOYSA-N	321.377	1.666	50	20	DDGD	
C[C@]1(C(=O)NC[C@H](O)Cc2ccccc2)C[C@@H]1Br	906951761	JSBXEZNZMOSPMV-DYEKYZERSA-N	312.207	1.880	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1CCCCN1C(=O)c1ccccc1	837621765	NDNPYDXFZABFQM-OAHLLOKOSA-N	319.405	1.291	50	20	DDGD	
CO[C@H]1C[C@@H](NC(=O)NNc2ncc(F)cc2F)C1(C)C	838511149	WSZPKTHETCOTTK-ZJUUUORDSA-N	300.309	1.799	50	20	DDGD	
COc1ccc([C@H](C)CCNCc2ccc(B(O)O)cc2)cc1	585028628	MFVPRXPVDASHGW-CQSZACIVSA-N	313.206	1.658	50	20	DDGD	
CC(C)[C@H]1N(C(=O)c2cc(B(O)O)ccc2F)CC12CCCC2	585001560	XHEMPTZRYZKKHW-OAHLLOKOSA-N	319.185	1.546	50	20	DDGD	
CCCn1cc(C(=O)NNc2cc(C(F)(F)F)ccn2)nn1	832967899	CYKBZGJAPYGDQV-UHFFFAOYSA-N	314.271	1.859	50	20	DDGD	
C=C(C)CCNC(=O)NNC(=O)Cn1ccc2ccccc21	836286917	VPYLRQJPOPJGHB-UHFFFAOYSA-N	300.362	1.938	50	20	DDGD	
CCS(=O)(=O)CC(C)=NNC(=O)Cn1ccc2ccccc21	733747038	DXZMMKFLNJOOAK-UHFFFAOYSA-N	321.402	1.568	50	20	DDGD	
COc1cccc2c1CN(C(=O)NNC(=O)C(C)(C)C)CC2	836293162	ZKUZASLFAUEFDZ-UHFFFAOYSA-N	305.378	1.840	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2c[nH]c3ccc(C(=O)O)cc23)n[nH]1	832864879	WBMYZRRDRVCLFD-UHFFFAOYSA-N	311.301	1.662	50	20	DDGD	
C[C@@H](NCc1ccc(B(O)O)cc1)c1ccccc1OC(F)F	585015039	MSKOSQMPDAOMCR-LLVKDONJSA-N	321.132	1.819	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1COc2cc(Cl)ccc2C1	585047115	HKJVAAIJTBEKTM-AWEZNQCLSA-N	317.581	1.113	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Cn2ccnc2C)cc1C	837309353	KLAOXGWXZCVLBS-UHFFFAOYSA-N	316.361	1.035	50	20	DDGD	
CC(CCCOc1ccccc1C(N)=O)=NNC(=O)C1CC1	731923237	AQADVPHFFWTWFZ-UHFFFAOYSA-N	303.362	1.847	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@H]2CCOC3(CCC3)C2)n1	838663516	VCMPLVAQXOMCNE-LLVKDONJSA-N	321.381	1.461	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@H](C)CSC)c(F)c1	838481585	JUVJTKVDIIQFHH-MRVPVSSYSA-N	315.370	1.990	50	20	DDGD	
CN(C)c1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)NC2CC2)cc1	730532903	SOVWGCHOQYZKGK-UONOGXRCSA-N	302.378	1.349	50	20	DDGD	
C[C@@]1(C(=O)N2CC(O)(c3ccccc3)C2)C[C@@H]1Br	913539629	CVKMRRXYLWJABO-WCQYABFASA-N	310.191	1.890	50	20	DDGD	
CN(Cc1nc(-c2cccs2)no1)S(=O)(=O)CCl	831488977	FHHRWHNPWISKTH-UHFFFAOYSA-N	307.784	1.756	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H](CC1CC1)NC(=O)OC(C)(C)C	911438052	DVVUOVWUKALMEU-GFCCVEGCSA-N	315.414	1.025	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)COc1ccc(F)cc1	739680135	KVJHBBVKEPLGJQ-UHFFFAOYSA-N	307.281	1.216	50	20	DDGD	
CCCCOc1ccc(C(=O)NN(C)C[C@@H](C)O)cc1OC	910184221	XNKGQAZHCXPHGD-GFCCVEGCSA-N	310.394	1.832	50	20	DDGD	
COCCOCCCNC(=O)NNc1c(F)cc(F)cc1F	916661709	BAKPSYPFJLUSQQ-UHFFFAOYSA-N	321.299	1.783	50	20	DDGD	
O=C(NNC(=O)[C@@H]1Cc2ccccc2S1)[C@@H]1CCCCO1	833255969	JTWFDAFNVNIIPM-AAEUAGOBSA-N	306.387	1.420	50	20	DDGD	
CC(=O)Nc1cc(F)ccc1C(=O)NNC(=O)c1ccccc1	917410461	XFQUHWRFEPOZIN-UHFFFAOYSA-N	315.304	1.859	50	20	DDGD	
CC[C@@H](NC(=O)NNc1nc(C)cc(C)n1)C1CCOCC1	746425971	LQEGMLJPPBONQU-CYBMUJFWSA-N	307.398	1.925	50	20	DDGD	
C[C@]1(CNc2nc(N)nc(Cl)c2N)C[C@@H]1Br	912290298	VWZYCGVCHWRLMB-AJAUBTJJSA-N	306.595	1.880	50	20	DDGD	
CC(C)Oc1ccc(C=NNC(=O)CN2CCCC2=O)cc1	915952328	DAMIJMQPCDQJIY-UHFFFAOYSA-N	303.362	1.546	50	20	DDGD	
COc1cc(C=NNC(=O)N(C)C)cc(OC)c1OC(C)=O	745604988	IXCSULOAEKVRGB-UHFFFAOYSA-N	309.322	1.234	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cc(C(C)(C)C)on2)n1	743484017	JWIVYSRTXFPYBL-UHFFFAOYSA-N	304.354	1.585	50	20	DDGD	
CC(=NNC(=O)C(N)=O)c1ccc(OCc2ccccc2)cc1	916272255	HSBGDIFFHPDPQY-UHFFFAOYSA-N	311.341	1.591	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)Cc2ccc(F)cc2)[nH]1	747629498	FKLDILQUWGTBCW-UHFFFAOYSA-N	303.293	1.633	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@H]2CO[C@@H](C)C2)cc1	845282048	LUNKMZDRGGGMOW-GXFFZTMASA-N	307.350	1.206	50	20	DDGD	
COc1ccc(C(CC(C)C)=NNC(=O)C(=O)NC2CC2)cc1	842524454	CEBMDUPRIKYFDJ-UHFFFAOYSA-N	317.389	1.840	50	20	DDGD	
CC(C)COCCC(=O)NNC(=O)COc1ccc(C#N)cc1	915286427	RDWXILBIIRGEHG-UHFFFAOYSA-N	319.361	1.147	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cc([N+](=O)[O-])ccc1O)C1CC1	743059592	KGABPAMOUBASSP-SSDOTTSWSA-N	324.362	1.208	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C=NNC(=O)[C@@H]2CCO[C@H]2C)c1C	842559258	UIUMVLJUWVTKJQ-NWDGAFQWSA-N	321.377	1.683	50	20	DDGD	
Cc1occc1CNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	919782459	WSSIYIYWAVRSAG-UHFFFAOYSA-N	318.289	1.640	50	20	DDGD	
COc1ccc(C=NNC(=O)N2CCOCC2)c(OC)c1OC	745590677	FDKZSBQKDTXTIU-UHFFFAOYSA-N	323.349	1.088	50	20	DDGD	
CCOC(=O)c1ccc(C=NNC(=O)C(=O)NC(CC)CC)o1	748251064	HEZITFFCCKVOBW-UHFFFAOYSA-N	323.349	1.211	50	20	DDGD	
CSCCONC(=O)NNc1ncc(Br)cn1	847364089	FKECMURIQWIRRK-UHFFFAOYSA-N	322.188	1.160	50	20	DDGD	
CN1/C(=C(\C#N)C(=O)Cn2ccsc2=O)Nc2ccccc21	746642721	DJUUNSPZZXNUAN-GXDHUFHOSA-N	312.354	1.776	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)SCc1ccccc1C(=O)OC	845340845	GRRGUVMYQHSMMD-JTQLQIEISA-N	324.402	1.652	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1cccc(N2CCC2=O)c1	842562376	WPCBHBZKOMUFFK-IUODEOHRSA-N	315.373	1.689	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@@H]2C[C@@]23CCOC3)c1	843869732	BCTNGASPNYRFMK-XJKSGUPXSA-N	318.377	1.650	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=C1CC(C(=O)O)(c2ccccc2)C1	842549079	GPGDZNQPHBEVJN-WJIMYMPPSA-N	316.357	1.700	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(-c2ccccc2Cl)[nH]n1	910169589	FAKRMERBJNCDLF-SECBINFHSA-N	308.769	1.688	50	20	DDGD	
COc1ccc2c(c1)OCC2=NNC(=O)c1sc(N)nc1C	749158862	UCALHLXTGNVZSB-UHFFFAOYSA-N	318.358	1.569	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1cc(C)oc1C	743446084	OFSCAMKELBLEBF-UHFFFAOYSA-N	304.306	1.181	50	20	DDGD	
COc1ccc(O)c(C(C)=NNC(=O)NCC(F)(F)F)c1	917552723	WLVIPTBJDXFCKN-UHFFFAOYSA-N	305.256	1.986	50	20	DDGD	
C[C@]1(C(=O)N2CCN(C(=O)C3CC3)C2)C[C@H]1Br	911193857	IKVBBXRNVQCXET-SKDRFNHKSA-N	301.184	1.198	50	20	DDGD	
COc1ccc(NC(=O)NNc2ccnc(N(C)C)n2)cn1	740015902	DCVZSRTTXLINGT-UHFFFAOYSA-N	303.326	1.095	50	20	DDGD	
O=C(NNC(=O)c1ccc2ccccc2c1)N[C@@H](CO)CCF	846707107	QOIVBEWDPBBXNH-CQSZACIVSA-N	319.336	1.504	50	20	DDGD	
CNc1cc(Cl)ccc1C(=O)NNC(=O)N1CCOCC1	847402822	KZXVVEVUYRRNGQ-UHFFFAOYSA-N	312.757	1.068	50	20	DDGD	
Cc1nn2c(=O)c3ccccc3[nH]c2c1C=NNC(=O)N(C)C	745602516	SBNYYSUATGVADT-UHFFFAOYSA-N	312.333	1.089	50	20	DDGD	
COc1cc(NNC(=O)[C@@H]2CCCS2(=O)=O)ccc1Cl	847990679	INQOPHAALSZEHP-NSHDSACASA-N	318.782	1.369	50	20	DDGD	
CC(C)c1ccccc1C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	848402992	LAMOXTNGNPZREW-CYBMUJFWSA-N	323.418	1.630	50	20	DDGD	
C[C@H]1CC[C@H](C(=O)NNC(=O)COc2ccc(C#N)cc2)CC1	845077210	DPTJSAKLDVLCTP-MQMHXKEQSA-N	315.373	1.911	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CC(F)(F)F)N1CCc2ccccc21	746877663	QVYWSGNETIYOHY-VIFPVBQESA-N	315.295	1.537	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)CCNC(=O)CC(C)C	846642269	APESYAQHFUZLQN-UHFFFAOYSA-N	311.357	1.830	50	20	DDGD	
CCCCNC(=O)NN=Cc1cc(OC)c(O)c([N+](=O)[O-])c1	920752612	MNRLYEUJVGSNEL-UHFFFAOYSA-N	310.310	1.742	50	20	DDGD	
CO[C@H](C=NNC(=O)c1ccc(O)c(Cl)c1)[C@@H]1CCOC1	841624484	FJPZKAGASOULJO-ZWNOBZJWSA-N	312.753	1.813	50	20	DDGD	
Cc1nc2c(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)cccc2o1	843659604	YDEJFWSRKCAZJE-WCBMZHEXSA-N	303.318	1.322	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNC(=O)c1ccc2c(c1)OCO2	841375788	LMJJBEHAIDLGSE-ZDUSSCGKSA-N	308.334	1.237	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)c3cnco3)cc2C1	758097258	AKJGRTNENMREDP-MRVPVSSYSA-N	305.359	1.936	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C1CCc2c(F)cccc21	750937713	VXJZXCIBPIIOEK-UHFFFAOYSA-N	315.304	1.615	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNC(=S)NCC1CCC1	855090701	MPBRZUZOSIZSHB-UHFFFAOYSA-N	315.439	1.261	50	20	DDGD	
O=C(Cc1csc2nccn12)NNC(=S)NCC1CCC1	855090408	FIYPGTPFPBKIDX-UHFFFAOYSA-N	323.447	1.234	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1c(C2CC2)cnn1C	853279545	SWHWABBHTTWOQT-ZDUSSCGKSA-N	317.437	1.870	50	20	DDGD	
COCCOC[C@@H](C)NC(=O)NNC(=O)c1cc(C)cs1	858287336	UHLWKKJRYOIDAA-SNVBAGLBSA-N	315.395	1.052	50	20	DDGD	
COC[C@H](OC)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	854196984	TWEQUZZCQJRJBS-ZZTKBFGJSA-N	324.421	1.402	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCCOCCF)c1ccccc1	852714581	HDYFPDOLAQFJIY-ZDUSSCGKSA-N	311.357	1.497	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H]2CCN(C(C)(C)C)C2)nc1	852469622	WPZHKDZGIPMXPO-NSHDSACASA-N	307.398	1.589	50	20	DDGD	
O=C(NNC(=O)c1cc[nH]n1)c1ccc(OCC2CC2)cc1	855359487	UBOMAGFOCMVGRP-UHFFFAOYSA-N	300.318	1.273	50	20	DDGD	
C[C@H]1C[C@@H](C)CN([C@@H]2CCCCC2=NNC(=O)CN(C)C)C1	751526038	LNSNKOWVHAVMHT-IJEWVQPXSA-N	308.470	1.941	50	20	DDGD	
CNC(=S)N(C)NC(=O)C[C@H]1COc2cc(OC)ccc21	854923538	ZDELCJLMUPLMLY-VIFPVBQESA-N	309.391	1.029	50	20	DDGD	
C[S@@](=O)C1(CNC(=O)NNc2ccc(F)c(F)c2)CC1	922357345	NUZCSODHOVZZHB-HXUWFJFHSA-N	303.334	1.502	50	20	DDGD	
CC(=O)NNC(=O)[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1	929182706	OUAZZDRWVXFQDV-INIZCTEOSA-N	306.362	1.568	50	20	DDGD	
CN(Cc1cnc[nH]1)C(=O)NNC(=O)CCCc1ccccc1	852050417	BPJGYKNYIJGHAP-UHFFFAOYSA-N	315.377	1.605	50	20	DDGD	
CC(C)[C@H](CCO)NC(=O)NC[C@@]1(C)C[C@H]1Br	856956635	SIJLFBWHECWKFJ-HOSYDEDBSA-N	307.232	1.866	50	20	DDGD	
COc1nnccc1NC(=O)NC[C@@]1(C)C[C@H]1Br	856870239	REYBANOWJPWTQK-LDYMZIIASA-N	315.171	1.780	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H]1OCCc2ccccc21)C1CC1	855099004	PRQIPQMKKKLFPZ-HZMBPMFUSA-N	319.430	1.594	50	20	DDGD	
COc1cc(OC)cc(S(=O)(=O)N2CC=C(C#N)CC2)c1	759080932	BBNIYHOMAMBQRF-UHFFFAOYSA-N	308.359	1.548	50	20	DDGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cn(CC(=O)O)nn2)c1	759075189	HHSOTBMAWOSAHL-MLPAPPSSSA-N	310.313	1.769	50	20	DDGD	
COC(=O)[C@H](NNC(=O)c1ccccn1)c1cccc(C#N)c1	751447029	UZJLWUUTHCFPJJ-CQSZACIVSA-N	310.313	1.102	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H]1CCCc2nn(C)cc21)C1CC1	855096537	CFCCNDDGNQUBOG-GXSJLCMTSA-N	321.450	1.134	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H]2CCc3nnc(C)n3C2)c1	750785371	AHKUCPGNCZFUKP-JTQLQIEISA-N	319.340	1.440	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(-c2ccccc2)ns1	756786026	IABNESAWKORFKA-UHFFFAOYSA-N	306.347	1.609	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2cn(C)nn2)o1	755674679	RCCWIFSWINMGPS-UHFFFAOYSA-N	304.354	1.014	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccccc1CCOC	931028236	ACIYHMCDCHVPHJ-UHFFFAOYSA-N	303.362	1.832	50	20	DDGD	
C=C[C@@H](CC)CC(=O)NNc1nc2ccccc2c(=O)n1C	932751216	FLNHTUMZPDTMDX-NSHDSACASA-N	300.362	1.979	50	20	DDGD	
COc1ccc([C@H](C)C(C)=NNC(=O)[C@@H]2CCC(=O)N2)cc1	863148481	CUNOALIAJGHBGH-YGRLFVJLSA-N	303.362	1.569	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNCC(F)(F)C(F)(F)F	863097790	UHKCLUKIRKDTOZ-UHFFFAOYSA-N	300.231	1.415	50	20	DDGD	
Cc1ccc([C@H](C)[C@H](O)C(=O)NNC(=O)c2ccc[nH]2)cc1	764632524	MJTSYGLYMXNZHI-FZMZJTMJSA-N	301.346	1.249	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)OCC(F)(F)F)c(C2CC2)n1	869282133	YUIHSTGXEKOEHS-UHFFFAOYSA-N	320.271	1.714	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(CCSC)cc1	763438005	LLDWODZTZQESST-UHFFFAOYSA-N	309.391	1.088	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2ccccc2CC(C)C)n[nH]1	869017006	WJILDPWGEFFIPF-UHFFFAOYSA-N	314.389	1.920	50	20	DDGD	
Cn1nc(C(F)(F)F)c(CN2CC[C@H](B(O)O)C2)c1Cl	864233987	NYTWXRGFYBPOTD-LURJTMIESA-N	311.500	1.141	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CSc2n[nH]c(C)n2)c1	862476677	XVTUEWJIMNBQTQ-UHFFFAOYSA-N	311.392	1.036	50	20	DDGD	
CCc1ccc(C=NNC(=O)CNC(=O)c2cccnc2)o1	763194238	WTMWDYOTFPRDTB-UHFFFAOYSA-N	300.318	1.117	50	20	DDGD	
COc1ccc2c(c1)CC[C@H](NCc1ccccc1B(O)O)C2	863891578	UGMXLKQQPFNIGG-INIZCTEOSA-N	311.190	1.022	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CNc2c(C)cccc2C)n[nH]1	869013650	FHDOAWYGTATDPD-UHFFFAOYSA-N	315.377	1.137	50	20	DDGD	
CC(=O)N[C@H](CC(=O)NN=c1cc[nH]c(C)c1)c1cccs1	862509491	OEKVLDNUZQRDPF-CYBMUJFWSA-N	318.402	1.584	50	20	DDGD	
C[C@H]1C[C@@H](C)[C@@H](CN)CN1S(=O)(=O)CC(C)(C)CCl	866772410	DHMUNSZEQDMAGL-WOPDTQHZSA-N	310.891	1.886	50	20	DDGD	
Cn1ncc(C(=O)NNCC(F)(F)C(F)(F)F)c1Cl	863102146	WHWBZGLZUCLTFP-UHFFFAOYSA-N	306.622	1.506	50	20	DDGD	
C[C@@H](CO[C@H]1CCOC1)NS(=O)(=O)CC(C)(C)CCl	866942458	TXGWUGXPXRARAN-QWRGUYRKSA-N	313.847	1.365	50	20	DDGD	
NC(=O)C(=O)NN=Cc1cc(Br)ccc1Cl	767747559	XPFSUWYAVRJJLH-UHFFFAOYSA-N	304.531	1.038	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21	866955012	AYFLTENDUHMIQB-MNOVXSKESA-N	322.858	1.324	50	20	DDGD	
COc1ccc(C)nc1NC(=O)NNC(=O)CC(F)(F)F	765304907	ZKXQKMQRCIMUMH-UHFFFAOYSA-N	306.244	1.504	50	20	DDGD	
COc1cccc(OCCC(=O)NN=c2cc[nH]c(C)c2)c1	862513532	HLUAMIUDSZCHDJ-UHFFFAOYSA-N	301.346	1.733	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cccn1Cc1ccncc1	760921180	RTKCYOISMBPKIH-UHFFFAOYSA-N	312.308	1.617	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H](C)CCSC)cc1	1116104737	CSQPZCHCUKWAFT-SNVBAGLBSA-N	311.407	1.781	50	20	DDGD	
Cc1sc(Cl)nc1C(=O)NNC(=O)Cc1ccncc1	762893936	VWIDIYSERFFKGE-UHFFFAOYSA-N	310.766	1.504	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCC2(CO)COC2)cc1	763631093	LSLMQMYEXGAODX-VGOFMYFVSA-N	317.341	1.544	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1ccc(C#N)s1	762446210	GDYMTSPYQGIJKM-LLVKDONJSA-N	320.418	1.428	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccnnc1	769464722	WMGLJCBQPPWGQC-UHFFFAOYSA-N	300.362	1.454	50	20	DDGD	
CC(C)(C(=O)NNC(=O)C1CCC1)c1ccc([N+](=O)[O-])cc1F	762601234	COCUYRURRMYARH-UHFFFAOYSA-N	323.324	1.959	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)CN(C)C(C)C	873767699	MDHNCZIVCQLMEU-UHFFFAOYSA-N	310.423	1.353	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)n1	875447393	PTIZCXAFHKRLDF-IUODEOHRSA-N	306.366	1.354	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C1CCN2CCC[C@@H]12	765557523	SZDQVJNOWHTZRI-AWEZNQCLSA-N	317.389	1.804	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCC1=O	763257779	BIQZUHVTQPXNTF-MWLCHTKSSA-N	319.317	1.361	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@@H](C)CN2CCOCC2)c(F)c1	872337029	RRPBRCLGXSJNAA-ZDUSSCGKSA-N	307.369	1.553	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@H](C(C)(C)O)C1	879963042	TYNGQANSLVRMNN-STQMWFEESA-N	313.442	1.051	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C	775675135	NIYPBJIRHHOGSR-BWACUDIHSA-N	309.454	1.984	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CC2OCCCO2)c1	873775639	NIDALGXAIDVNLB-UHFFFAOYSA-N	309.391	1.466	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H](O)Cc1ccccc1Cl	772413727	YPYZZKNLVMADEO-LBPRGKRZSA-N	313.785	1.374	50	20	DDGD	
CN(NC(=O)[C@@H](c1c(F)cccc1Cl)N(C)C)C(N)=O	778411951	IYCJJKFAVOKELK-SNVBAGLBSA-N	302.737	1.124	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H]1C[C@H]1c1cccc(OC)c1	875672957	VDMRPLMMUBLHGM-AAEUAGOBSA-N	307.350	1.711	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H](C)C2)cc1OC	776285866	RWKNQYILTUDPSB-JQWIXIFHSA-N	322.361	1.280	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)/C=C/c2ccc(O)c(O)c2)n1	773863603	XNOWQGDKFMDLEC-DUXPYHPUSA-N	321.724	1.280	50	20	DDGD	
O=C(NN=Cc1cccc2nccn12)c1ccc2c(c1)OCO2	771087454	FJROCEXAEFIDGA-UHFFFAOYSA-N	308.297	1.827	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)[C@H](O)C1CCCCC1	874956138	MNVGBIWCAPIUMP-GFCCVEGCSA-N	308.407	1.340	50	20	DDGD	
O=C(C[C@H]1CCS(=O)(=O)C1)NNc1cccc2cnccc12	1116736505	UIQTWZYZCKLORX-LLVKDONJSA-N	319.386	1.503	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)Nc1ccc(F)cn1	775731352	TXYJWBVDPYEQCS-UHFFFAOYSA-N	320.280	1.158	50	20	DDGD	
CN1CCN(c2ccc(C=NNC(=O)C3CCC3)cc2)CC1	771561380	WGZATHUJCDSBAW-UHFFFAOYSA-N	300.406	1.689	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc2c(c1)CCC(C)(C)O2	872402796	KHWJBCZHJQKLLA-UHFFFAOYSA-N	320.389	1.903	50	20	DDGD	
Cc1ccc(/C=C(\C#N)C(=O)OC[C@H]2CCS(=O)(=O)C2)cc1	778343299	AGYKPMKIMFAKDT-VLHYRRCOSA-N	319.382	1.880	50	20	DDGD	
Cc1cc(=NNC(=O)NCc2nnc(C(C)(C)C)s2)cc[nH]1	875371688	IGBCQCQTWYHJBB-UHFFFAOYSA-N	320.422	1.787	50	20	DDGD	
N#Cc1cccc(COc2cccc(C=NNC(=O)CO)c2)c1	776779571	OCCRYCLMQGFIMF-UHFFFAOYSA-N	309.325	1.580	50	20	DDGD	
N#Cc1ccc(Oc2cccc(C(=O)NNC(=O)CO)c2)cc1	777782645	IWGITUSLPMMVHH-UHFFFAOYSA-N	311.297	1.104	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@H]1C=NNC(=O)c1ccc[nH]1	872339126	ZSOPWQGTKFIEPZ-WCQYABFASA-N	301.350	1.725	50	20	DDGD	
CN(NC(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C)C(N)=O	778412303	SLARFYFHSGQKFQ-JTQLQIEISA-N	314.386	1.208	50	20	DDGD	
C[C@H](NC(=O)CC(C)(C)C)C(=O)NNC(=O)NC1CCCC1	778609248	LSQLEQOHRYOGSG-JTQLQIEISA-N	312.414	1.200	50	20	DDGD	
Cc1ccc([C@H](C)NC(=O)NNC(=O)C2CCOCC2)cc1	883159310	GQQOLBYRIRRFQN-LBPRGKRZSA-N	305.378	1.813	50	20	DDGD	
O=C(C[C@@H]1CCCS(=O)(=O)C1)NNc1ccc(F)c(F)c1	885114007	PTMGVAVITVYDNQ-VIFPVBQESA-N	318.345	1.623	50	20	DDGD	
Cc1ccccc1[C@@H](CO)N(C)CC(=O)NNC(=O)C(C)(C)C	886436242	VHJGDWUXWFVNNS-CQSZACIVSA-N	321.421	1.154	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C1CCOCC1)c1ccc(F)cc1	883068036	FSFSMSSDLJCCKT-CQSZACIVSA-N	308.353	1.893	50	20	DDGD	
CN(C)Cc1ccnc(NC(=O)NNC(=O)OC(C)(C)C)c1	880601118	ZYTUMZLTTCVHDV-UHFFFAOYSA-N	309.370	1.704	50	20	DDGD	
CC[C@@H](C(=O)NNc1c(F)cc(F)cc1F)N1CCCC1=O	885150898	OETJTONUESCYRF-NSHDSACASA-N	315.295	1.948	50	20	DDGD	
CC(C)[C@H]1C[C@H](CC(=O)NNC(=O)c2ccccc2O)CCO1	781679351	ZVQUVXNPWZGISS-IUODEOHRSA-N	320.389	1.995	50	20	DDGD	
C[C@H](Cc1cccc(O)c1)NC(=O)NNC(=O)C1CCOCC1	883183154	UMRWOOZSBGOELW-LLVKDONJSA-N	321.377	1.080	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnc3n2CCCC3)cc1O	882048500	AFMZMTKEUHWLIQ-UHFFFAOYSA-N	314.345	1.308	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=C1CCc2cccnc21	884402420	SVLAYXVUCFJKGD-ZDUSSCGKSA-N	300.406	1.970	50	20	DDGD	
C[C@H](NS(=O)(=O)CCCCl)[C@@H](O)c1cccc(F)c1	881965177	ULHWKIKGEGLFKP-JOYOIKCWSA-N	309.790	1.796	50	20	DDGD	
COCCn1ccc(C(=O)NNc2nccc3sccc23)n1	784780976	AUYWBMVGYPFWTF-UHFFFAOYSA-N	317.374	1.896	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2cc3c(s2)CCC3)CCCOC1	781144363	PTFXSWYHOODIOY-OAHLLOKOSA-N	308.403	1.815	50	20	DDGD	
CCN(CC)CC[C@@H](C)NC(=O)NNC(=O)c1ccccc1F	1122430859	YDYLBOOBPLZGSJ-GFCCVEGCSA-N	324.400	1.890	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H](C)CN2CCOCC2)c1	783657526	XNSYPBUVZZQONS-NSHDSACASA-N	311.357	1.246	50	20	DDGD	
N#C/C(=C\c1ccccc1)C(=O)OCCCN1CCOC1=O	785378558	KBXFDVCKMOAPCL-SDNWHVSQSA-N	300.314	1.979	50	20	DDGD	
COC(=O)c1ccccc1CC(=O)NNC(=S)NC(C)(C)C	899996074	FUDCEADEQCAFJO-UHFFFAOYSA-N	323.418	1.310	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@H]2CCCN2C(C)C)c1O	893024049	WVFDDSXUXVDZKU-GFCCVEGCSA-N	321.377	1.035	50	20	DDGD	
CCn1nccc1C(=O)NNc1nnc(-c2ccccn2)s1	788557792	ACDQZGLLMDRRBA-UHFFFAOYSA-N	315.362	1.573	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc(F)cc2F)nn1	783953626	SRIJUMPBNBOYEI-UHFFFAOYSA-N	307.260	1.145	50	20	DDGD	
C[C@H]1CCc2[nH]nc(C(=O)NNC(=O)NC3CCCCC3)c2C1	899939752	ARBDOSQJLIIMIM-JTQLQIEISA-N	319.409	1.811	50	20	DDGD	
CC(=O)N[C@H](CC(=O)NN=c1cc[nH]cc1)c1cccs1	780761446	VGYHCZBFIHEXSA-GFCCVEGCSA-N	304.375	1.276	50	20	DDGD	
C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NNc1ncncc1Cl	781005161	WJKDMIBKBMOPME-GZMMTYOYSA-N	310.789	1.239	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C[C@@H]1NC(=O)c2ccccc21	899999683	SONWOSUEROPEFX-NSHDSACASA-N	320.418	1.155	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C1(Cc2ccccc2F)CC1	785416293	XXAZTAYQPXYJPE-UHFFFAOYSA-N	316.336	1.641	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNc2cc(C)ncn2)c1F	783945690	OZORZNFCJRPBOG-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
O=C(NNc1ccccc1F)C(=O)Nc1cccc(Cl)n1	793030340	GMLONXXHEGULIZ-UHFFFAOYSA-N	308.700	1.956	50	20	DDGD	
CCOC[C@H](N[C@@H](C)C(=O)NNC(=O)CC(C)C)C(C)C	794599707	HJXKCZRNJQDORG-STQMWFEESA-N	301.431	1.219	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1ccc2c(c1)CCO2	790173985	LIFHALZEBWCHPR-UHFFFAOYSA-N	302.378	1.303	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1cccc(C(F)(F)F)c1)C1CC1	794607945	BGNABIJSYNCPQX-SNVBAGLBSA-N	302.252	1.296	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCC(n2ccnc2)CC1	184412844	IZDDGMXPBPVIGT-UHFFFAOYSA-N	305.831	1.869	50	20	DDGD	
COCc1cc(C=NNC(=O)[C@@H](C)CN2CCCCC2)no1	794878686	IARQPPJPNPFXPD-LBPRGKRZSA-N	308.382	1.393	50	20	DDGD	
Cc1occc1C(=O)NNc1ccccc1S(=O)(=O)N(C)C	795180713	ANKHLKBDVCVOBO-UHFFFAOYSA-N	323.374	1.595	50	20	DDGD	
CC1(C)[C@@H](O)C[C@H]1NS(=O)(=O)c1ccc(CCl)cc1	388679251	ROIPPVDEWCBIRH-NEPJUHHUSA-N	303.811	1.863	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2ccccc2[N+](=O)[O-])n1	794076861	QYFOJUBWVYFPIO-UHFFFAOYSA-N	314.301	1.302	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(CC1CCC1)[C@@H](C)CO	796555653	QXGJXIYQPWHKJB-QWHCGFSZSA-N	313.442	1.051	50	20	DDGD	
C[C@@]1(CO)CN(C[C@@H](CBr)C2CC2)C[C@]1(C)CO	701852621	BXRQIJRQIXTVCJ-MCIONIFRSA-N	320.271	1.720	50	20	DDGD	
C[S@](=O)c1ccc(CC(=O)NNC(=O)NC2CCCC2)cc1	797843860	VMYPFWXBQHQRPW-QFIPXVFZSA-N	323.418	1.240	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)c2cccc(C)n2)cc1	793023450	FFZNRUOPVVHSJF-UHFFFAOYSA-N	312.373	1.885	50	20	DDGD	
CSSCCNS(=O)(=O)c1cccnc1[N+](=O)[O-]	790350677	YHDRCEUCARDUPT-UHFFFAOYSA-N	309.394	1.279	50	20	DDGD	
Cn1cc2c(n1)CCC[C@H]2C(=O)NNc1nc2ccccc2[nH]1	799102923	WHTBTOHRLFESSO-SNVBAGLBSA-N	310.361	1.860	50	20	DDGD	
Cc1c(NNC(=O)NCC(=O)N2CCCC2)cccc1[N+](=O)[O-]	1318619037	QKMFRLISVNTYQC-UHFFFAOYSA-N	321.337	1.152	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2sccc2OC)cc1	1318291928	CNCUFEXQLQGDSC-UHFFFAOYSA-N	306.343	1.840	50	20	DDGD	
CCOC(=O)COc1ccc(C=NNC(=O)NCC2CC2)cc1	1319088424	IFPBSWAFABESRT-UHFFFAOYSA-N	319.361	1.672	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=Cc1ccc(N2CCCC2)cc1	1317874899	MLSKZLAZAIPGNI-UHFFFAOYSA-O	309.393	1.725	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cc3ccccn3c2)c1Cl	1319405963	IFFCQWXYSPJPCX-UHFFFAOYSA-N	302.725	1.722	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNC(=O)c1cncn1-c1ccccc1	1319290625	DOAFORJQXDPBKE-INIZCTEOSA-N	316.361	1.184	50	20	DDGD	
CC(C)c1ncc(C(=O)NNc2cccc(S(C)(=O)=O)c2)[nH]1	1319851799	YEFOHZDIILPEDU-UHFFFAOYSA-N	322.390	1.694	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cnc(Cl)c(C)c2)nn1	1320889567	SJJXONWAKCSLEW-UHFFFAOYSA-N	320.740	1.224	50	20	DDGD	
CCOC(=O)C1(CC(=O)NNC(=S)NC(C)C)CCC1	1321009874	HXGSQJNQMFAHSM-UHFFFAOYSA-N	301.412	1.014	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H](C)Oc2ccc(F)cc2)ncn1	1324430528	SISALVDKDQHYHJ-LLVKDONJSA-N	302.309	1.842	50	20	DDGD	
C[C@H]1C[C@H]1CNC(=O)NNC(=O)c1cncn1-c1ccccc1	1337500078	LDLZKJKUQVIEMP-RYUDHWBXSA-N	313.361	1.472	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)cc1)c1ccnc(C)n1	1255778655	DVDXLKNYGDVCAK-UHFFFAOYSA-N	311.345	1.572	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C	1349067878	HOAOPIUYAGWEJN-QRTLGDNMSA-N	324.381	1.150	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@H]1CCCCCN1	1262600472	CMEAJMIEGDVTBG-GFCCVEGCSA-N	320.393	1.171	50	20	DDGD	
Nc1cnnc(NNC(=O)NC[C@@H]2C[C@H]2C2CCC2)c1Cl	1345678488	YNRYSKXDCHEYJV-IUCAKERBSA-N	310.789	1.775	50	20	DDGD	
O=C(COCc1ccccc1)NNc1ncccc1C(=O)O	1594701540	JNUOOVUFCDHZTD-UHFFFAOYSA-N	301.302	1.440	50	20	DDGD	
Cc1cc(=NNC(=O)NCc2cnn(CC3CCC3)c2)cc[nH]1	1352088236	HOYLDAHAWIUISE-UHFFFAOYSA-N	314.393	1.635	50	20	DDGD	
COC1(OC)CC(CNC(=O)NNc2c(F)cccc2F)C1	1519877537	GRWGKMUCZQVUNL-UHFFFAOYSA-N	315.320	1.990	50	20	DDGD	
O=C(/C=C\C1CCOCC1)NNc1ccc(F)c(C(=O)O)c1	1601231432	HEJARDBHHBGEJT-RJRFIUFISA-N	308.309	1.950	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCc2cc(-c3nn[nH]n3)ccc21	1604414338	QKCYKAVMQAZQTA-XFXZXTDPSA-N	310.317	1.200	50	20	DDGD	
CNC(=O)NNC(=O)c1ccccc1-c1ccccc1C(=O)O	1606280846	KSOMCHZWVOBYQF-UHFFFAOYSA-N	313.313	1.626	50	20	DDGD	
O=C(O)C1(C(=O)NNc2ncccc2Cl)CCSCC1	1605935218	CZONZZGHHWPGKF-UHFFFAOYSA-N	315.782	1.776	50	20	DDGD	
Cn1c(C(=O)NNc2ccc(C(=O)O)c(Cl)c2)cccc1=O	1600898420	CJQSIRLGNNTXHY-UHFFFAOYSA-N	321.720	1.494	50	20	DDGD	
CCCC(=O)N1CCC[C@H]1C(=O)NNc1ccccc1C(=O)O	1609951034	JKMBKBSNNOGAGX-ZDUSSCGKSA-N	319.361	1.619	50	20	DDGD	
O=C(O)CCC[C@@H]1CCCC(=NNC(=O)N2CCOCC2)C1	1601980934	VHJZDOLVLUUPFS-LBPRGKRZSA-N	311.382	1.829	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@@H]1CC[C@H]2CCCCN12	1608828357	APHBGMVMGAXGGL-MFKMUULPSA-N	321.352	1.984	50	20	DDGD	
O=C(O)c1ccc(O)c(C=NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)c1	1602385638	SSLSUSXJKIMPQF-NTZNESFSSA-N	304.302	1.108	50	20	DDGD	
Cc1ccn2ncc(C(=O)NNc3ccc(C(=O)O)cn3)c2c1	1600597104	YAKMDWAKPPLXBT-UHFFFAOYSA-N	311.301	1.493	50	20	DDGD	
N#C[C@]1(C(=O)NNc2ccc(C(=O)O)cn2)CC12CCCC2	1601050954	UIWBFRQFRFETIC-HNNXBMFYSA-N	300.318	1.697	50	20	DDGD	
Cc1cc(C#N)cnc1C(=O)NNc1cccc(C(=O)O)c1F	1600075802	BMUWPFVOVFTOMI-UHFFFAOYSA-N	314.276	1.856	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1cc([N+](=O)[O-])ccc1O	1601560814	ACEQBTIHAHKNRI-UHFFFAOYSA-N	317.257	1.756	50	20	DDGD	
C[C@](C#N)(CC(=O)O)C(=O)NNc1ccc(C#N)c(Cl)c1	1602782789	ZSBYEKZDTZQISV-CYBMUJFWSA-N	306.709	1.659	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCc1ocnc1C(=O)O	1603303187	RHIFKINQIQXLCK-MRVPVSSYSA-N	319.155	1.799	50	20	DDGD	
CCCNC(=O)CCC(=O)NNc1ccc(C(=O)O)cc1F	1605327404	SQOZCACPDJNUJD-UHFFFAOYSA-N	311.313	1.273	50	20	DDGD	
CC(Cc1ccccc1F)=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549321145	QKFUJMINABOFSQ-GOEBONIOSA-N	319.380	1.724	50	20	DDGD	
CO[C@H](C=NNC(=O)[C@H]1CCCO[C@@H]1c1nccn1C)C1CC1	1549315311	LCVHUXZPNNUDCZ-MJBXVCDLSA-N	320.393	1.415	50	20	DDGD	
CC[C@@H]1C[C@H](C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)CCO1	1549319366	HQIJLVBKPUDARM-LXTVHRRPSA-N	309.410	1.157	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@H]1C(=O)NN=Cc1nccs1	1549308893	GFNBVHSPBDRYSM-PWSUYJOCSA-N	319.390	1.495	50	20	DDGD	
CC(C)(C)[C@@H](N)CC(=O)NNC(=O)CCCc1ccccc1	1575111674	AATLZGQVGXQBJV-AWEZNQCLSA-N	305.422	1.920	50	20	DDGD	
CCC1(C(=O)NNC(=O)[C@H]2CCCNC2)CCC(F)(F)CC1	1577198801	XGJBETKTVWRZOQ-NSHDSACASA-N	317.380	1.739	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@]1(F)c1ccccc1)C1CCNCC1	1580732719	HNKLUUOGGYZHFZ-BBRMVZONSA-N	305.353	1.018	50	20	DDGD	
CC/C=C(\C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl	1847567946	GMMXGOJASNSEAK-YKOULDITSA-N	314.813	1.144	50	20	DDGD	
O=C(NNc1ncccc1F)Nc1ccc(-c2nn[nH]n2)cc1	1593167764	PTOHLMIFEGFHGI-UHFFFAOYSA-N	314.284	1.549	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)C2(C#N)CCC2)C1	1846976028	TYGVHPPXVDGVJE-LBPRGKRZSA-N	323.824	1.901	50	20	DDGD	
Cc1ccccc1NNC(=O)c1ccc(-c2nn[nH]n2)c(C)n1	1592259487	UEZKLTNTGAMLQH-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
O=C(O)CC[C@H]1C[C@H](C(=O)NNc2ccc(F)c(F)c2)CO1	1595002810	ADUDMNHVGVFCIH-WPRPVWTQSA-N	314.288	1.678	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@@H](Cc1ccccc1)C(=O)O	1596862079	GCTDLRCEQBRYJE-MBFWDRTGSA-N	302.330	1.490	50	20	DDGD	
CC[C@H](C(=O)O)C(=O)NNc1ncnc(Cl)c1C(C)C	1594755830	UVDCKNVVELOQRR-ZETCQYMHSA-N	300.746	1.807	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NN=C(C)c1ccc(C(=O)O)cc1C	1776101984	DITABOSVEWBUFQ-KBPBESRZSA-N	304.346	1.958	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2cccc3c2OCO3)cc1	1776099761	YJMREBYPDXAXGB-UHFFFAOYSA-N	312.281	1.877	50	20	DDGD	
O=C(CSc1ccccn1)NNC(=O)c1ccc(F)cc1	11709526	GPLKLYSZUHHVMZ-UHFFFAOYSA-N	305.334	1.774	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C2CC2)ccc1OC(F)F	15794317	JBXPBEMUJBXLTF-UHFFFAOYSA-N	300.261	1.468	50	20	DDGD	
CCN(CC)S(=O)(=O)CC(=O)NNc1ccc(F)cc1F	158142478	FFNZYCVWOJMXRC-UHFFFAOYSA-N	321.349	1.080	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCCNC(=O)c1ccc(C)c(F)c1	158795519	KLLBGDBXQBHSMI-RAXLEYEMSA-N	319.336	1.424	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2cc(-n3cccn3)ccn2)c1	152760557	LTCMRESSKCSDNK-UHFFFAOYSA-N	304.313	1.896	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cnn(C2CCCC2)c1C	153476506	PIMKJDZDYDAOEE-UHFFFAOYSA-N	316.365	1.413	50	20	DDGD	
CC(C)CS(=O)(=O)CCC(=O)NNc1ccc(C#N)cc1	155209357	YLBGXVFAOBVWRC-UHFFFAOYSA-N	309.391	1.462	50	20	DDGD	
N#Cc1ccc(NNC(=O)CCCNC(=O)c2cccnc2)cc1	155252358	PWQKIMVJQOTPNZ-UHFFFAOYSA-N	323.356	1.607	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	154205433	HVUWACVATMUYGY-SECBINFHSA-N	322.390	1.714	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)c1n[nH]c2c1CCC2	104631842	ONGHBMGVAWKLIR-UHFFFAOYSA-N	323.356	1.314	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnn(-c2ccccc2F)c1	58861727	BPXVBDFOFVOPFR-UHFFFAOYSA-N	319.340	1.756	50	20	DDGD	
CN(CC(=O)NNC(=O)CNc1ccccc1)c1ccccc1	104829185	XYHWDAHEHYLOCT-UHFFFAOYSA-N	312.373	1.382	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc(OC)c(Cl)c1	55617287	LWXMCRCFVAIZBR-MRVPVSSYSA-N	320.798	1.704	50	20	DDGD	
CN1/C(=C(\C#N)C(=O)Cn2cnc([N+](=O)[O-])c2)Nc2ccccc21	119421279	MMPWZJLWSUSLIP-XNTDXEJSSA-N	324.300	1.657	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Cc1csc(C(C)(C)C)n1	102633912	UGZKKINOBDQCGO-UHFFFAOYSA-N	320.418	1.783	50	20	DDGD	
O=C(NNC(=O)c1ccc(Br)cn1)c1ccccc1	171173034	GSHOMCZNCLHFHE-UHFFFAOYSA-N	320.146	1.919	50	20	DDGD	
COc1ccc(-n2ccc(C(=O)NNc3cnccn3)n2)cc1	114878994	ZWSYGKMHXNLNQO-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
Cc1nccn1C[C@@H](C)CNC(=O)NNC(=O)CC(C)(C)C	171362879	LJQBTFUYPDOSIS-NSHDSACASA-N	309.414	1.594	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(NC(=O)C2CC2)nc1	178965622	WBMVXTZLBWDDCA-PKNBQFBNSA-N	300.318	1.813	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)NC2CCCC2)cc1F	65920688	LOQNGVHAIHBHRI-UHFFFAOYSA-N	309.341	1.650	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@H]1C[C@H]1C1CC1	175874498	XICINSPRPLHUFZ-RYUDHWBXSA-N	303.362	1.301	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCCc1c[nH]c2ccccc12	66704363	UJKROQRSQCHWNR-UHFFFAOYSA-N	318.377	1.467	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H](C)OCC1CC1	68286791	UUTDWRUMIFAQND-MNOVXSKESA-N	324.352	1.556	50	20	DDGD	
CNC(=O)NNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1	128849819	FRRJTAUHPLDWAT-UHFFFAOYSA-N	306.200	1.187	50	20	DDGD	
CC(C)[C@@H](NC1CCOCC1)C(=O)NNC(=O)CC(C)(C)C	175988214	LRMPTRJHURIQLL-CQSZACIVSA-N	313.442	1.363	50	20	DDGD	
COc1cc(CC(=O)NNc2nncc(N)c2Cl)ccc1O	1348014770	ODQIVFQRFBWEBA-UHFFFAOYSA-N	323.740	1.112	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1cn(C)nc1-c1cccnc1	63275670	DBBOGYVLAGKEEF-MDWZMJQESA-N	312.329	1.579	50	20	DDGD	
CC[C@@H](C)[C@@H](C)C(=O)NNC(=O)CNc1ccc(OC)cc1	182971870	ICFVUINACBQEAW-VXGBXAGGSA-N	307.394	1.937	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc(=O)n(C)c1	181294141	SOIHMCPKSJWBFH-UHFFFAOYSA-N	308.341	1.999	50	20	DDGD	
CN(C)C(=O)c1ccc(NC(=O)NNC(=O)CC(C)(C)C)cc1	183022714	AVPBZLMMNWWNAO-UHFFFAOYSA-N	320.393	1.977	50	20	DDGD	
COc1cc(C)c(S(=O)(=O)NNC(=O)c2ccc[nH]2)cc1C	121085948	YIGQLCKHEQVCTA-UHFFFAOYSA-N	323.374	1.263	50	20	DDGD	
COc1nccnc1NNC(=O)c1c(F)c(F)cc(F)c1F	184361557	XEYOBNRBWJKVPU-UHFFFAOYSA-N	316.214	1.799	50	20	DDGD	
C=CC[C@H](C(=O)NNC(=O)C(=O)N1CCCC1)c1ccccc1	188850863	BCZJVKAMIUGHMV-AWEZNQCLSA-N	315.373	1.116	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)N1CCc2ccc(C)cc21	124709885	RBVIVNUEGJJZLH-NSHDSACASA-N	303.362	1.078	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C[C@H](C)C(C)C)c1	76960798	PEBBCABLQURHSN-LBPRGKRZSA-N	307.394	1.937	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1ccc(F)cc1Cl	31092875	ZLRJDXPIXYLSPM-UHFFFAOYSA-N	301.705	1.166	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cccnc1-n1cccn1	121998662	XNXMRBJKFANLGZ-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ccnc(F)c1)N1C[C@H](C)O[C@H](C)C1	182503033	BKDTYYXQDCYWTA-ZOWXZIJZSA-N	324.400	1.798	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@@H](C)CN1CCOCC1	185143463	UNGCQDCDKAUQHQ-LBPRGKRZSA-N	310.373	1.481	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@@H]1CC(=O)N(Cc2ccco2)C1	182535434	NXURTJHIXJXXTF-SNVBAGLBSA-N	318.308	1.306	50	20	DDGD	
COc1c(F)ccc(F)c1C(=O)NNC(=O)c1ccc(C)o1	132452782	TZRWYWYHPVHCIC-UHFFFAOYSA-N	310.256	1.950	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)N[C@H]1CC12CCCCC2	180546850	NEAGKYQEXXAPSW-ZDUSSCGKSA-N	302.378	1.677	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1ccccc1OC(C)C	133842904	PEGFTVLEPVBUIU-UHFFFAOYSA-N	307.419	1.698	50	20	DDGD	
COc1ncccc1CNC(=O)NNc1cccc([N+](=O)[O-])c1	45965229	KVNKBQQTHKEDBL-UHFFFAOYSA-N	317.305	1.825	50	20	DDGD	
CCC(CC)CC(=O)NNC(=O)Cc1cn2ccccc2n1	133167449	OQALQTJSJRSKRN-UHFFFAOYSA-N	302.378	1.851	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)OCCO3)n1	134498877	QBGJQGDTKKGBHU-XYOKQWHBSA-N	310.313	1.737	50	20	DDGD	
O=C(NNC(=O)c1ncn(-c2ccccc2)n1)c1ccccc1	131752910	ZYRQLWSDBDJFEA-UHFFFAOYSA-N	307.313	1.342	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H](C(=O)NNc2ccc(Cl)cc2Cl)O1	193631955	WLYZJQQDWCZAML-VHSXEESVSA-N	318.160	1.469	50	20	DDGD	
O=C(NCc1ccncc1)NNC(=O)c1cccc([N+](=O)[O-])c1	42891460	ZBFBUZQVTCHCLY-UHFFFAOYSA-N	315.289	1.134	50	20	DDGD	
COCCCC(=O)NNC(=O)c1cc(-c2ccccc2)on1	80053404	HDVNDWRKNOFCDQ-UHFFFAOYSA-N	303.318	1.529	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)N(C[C@@H](C)CBr)C1CC1	133791496	HMDHXNIYCBJCTJ-UWVGGRQHSA-N	312.273	1.915	50	20	DDGD	
COC(=O)C1(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)CC1	135004858	IHNQGDLHPMQSGZ-UHFFFAOYSA-N	313.697	1.645	50	20	DDGD	
COc1cc(C(=O)NNc2ncccn2)cc(OC)c1OC	198774719	MMVJMHGBLKKQFY-UHFFFAOYSA-N	304.306	1.259	50	20	DDGD	
CN(CC(=O)NNC(=O)CC1CCCC1)C(=O)c1cccs1	195210621	GJLGLBPJZIRIMQ-UHFFFAOYSA-N	323.418	1.548	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1ccc(C2CCC2)cc1	190646159	ZQHXKQDYWYHFHN-UHFFFAOYSA-N	303.362	1.641	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NC1CCSCC1	195470984	ZEYILCIAZDDQGH-UHFFFAOYSA-N	307.419	1.845	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)C(=O)c1ccccc1	194931095	ZXVNGTOPVQDPST-UHFFFAOYSA-N	312.325	1.355	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@@H]2CCCN2)c1	236728957	DRWIABBNTZNCNT-AWEZNQCLSA-N	319.405	1.397	50	20	DDGD	
CNC(=O)NNC(=O)c1cccc(OCc2cscn2)c1	97714354	UXJUXLLZBFUJRI-UHFFFAOYSA-N	306.347	1.296	50	20	DDGD	
CO[C@H](C)CCNC(=O)NNC(=O)C(C)(C)c1ccccc1	264667964	PQHIRFSNRMXBKW-GFCCVEGCSA-N	307.394	1.720	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)cc1Cl	365623749	LXLBFLSCHOLBJN-VHRBIJSZSA-N	321.764	1.706	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@]1(O)CCc2ccccc2C1	367268697	DZVSHVBBXLYPPL-INIZCTEOSA-N	306.362	1.462	50	20	DDGD	
CCOCc1cccc(NC(=O)C(=O)NNC(=O)C2CCC2)c1	274013056	AJCMRTRNAADLHH-UHFFFAOYSA-N	319.361	1.109	50	20	DDGD	
COc1ccc(NNC(=O)Cc2cc(OC)ccc2OC)nc1	275525068	JLVMIJWNSOOLQQ-UHFFFAOYSA-N	317.345	1.793	50	20	DDGD	
CC(C)[C@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2)CCO1	271553945	RDGRGHALMJMJMN-ZIAGYGMSSA-N	305.378	1.834	50	20	DDGD	
Cc1noc(CCC(=O)NNc2ccc(C(F)(F)F)cn2)n1	274783808	YPGQHCIIOJZDKO-UHFFFAOYSA-N	315.255	1.868	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)C(F)(F)c1cccc(Cl)c1	277897854	GNPJUOVTCAKADX-UHFFFAOYSA-N	306.696	1.350	50	20	DDGD	
C[C@@H](NC(=O)[C@H](Br)C(C)(C)C)c1ncnn1C	276864543	KNVQPXBRIWUCEZ-SFYZADRCSA-N	303.204	1.802	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NNC(=O)c1ccccn1	274314991	NKMDIXFQRDXCGM-TZMCWYRMSA-N	305.378	1.828	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CC(C(C)(C)O)C2)cc(C#N)n1C	275563677	IYQXJTVOCWHEJS-WLRTZDKTSA-N	312.373	1.341	50	20	DDGD	
Cc1cccnc1NNC(=O)C1(NC(=O)OC(C)(C)C)CC1	276656933	BJHBYIOCMLGXNH-UHFFFAOYSA-N	306.366	1.890	50	20	DDGD	
CO[C@H](C)C(=O)Nc1cccc(NC(=O)NNC(=O)C2CC2)c1	274122052	SVPJHJIQYWQWJM-SECBINFHSA-N	320.349	1.223	50	20	DDGD	
Cn1cc2c(n1)CCC[C@H]2C(=O)NNc1cccc([N+](=O)[O-])c1	370240924	LWKLDFGQPGTSMR-GFCCVEGCSA-N	315.333	1.892	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12	272655726	GANYAWLUYMOJEI-UHFFFAOYSA-N	319.321	1.311	50	20	DDGD	
COC1(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)CCC1	273038246	ZCYLVRZCFAFYMV-JTQLQIEISA-N	310.325	1.310	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(Cl)c(OC)cc1OC	273396457	HNISRHDBSZSXBS-UHFFFAOYSA-N	301.730	1.920	50	20	DDGD	
CN(NC(=O)c1cc2c(C(F)F)nn(C)c2s1)C(N)=O	281709223	WDLKNQIAOGVHCU-UHFFFAOYSA-N	303.294	1.228	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1cc2c(cn1)OCCC2	370334121	NPVMBBHXDVWEKR-UHFFFAOYSA-N	303.362	1.748	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)COc2ccc(F)cc2)C1	287458998	OURRFEUCVANINO-UHFFFAOYSA-N	310.325	1.167	50	20	DDGD	
CO[C@H]1Cc2ccccc2N(S(=O)(=O)CBr)C1	282007176	MMIGAZOBLRUBBS-JTQLQIEISA-N	320.208	1.746	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CSCN1C(=O)OC(C)(C)C	286202020	DPCMEPBVWGAVHZ-MRVPVSSYSA-N	319.383	1.026	50	20	DDGD	
CC(=O)N/C(=C/c1ccccc1)C(=O)NNc1ncccc1F	804220322	VCYFXKAPLZKAQF-GXDHUFHOSA-N	314.320	1.841	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cnnn1-c1ccccc1Cl	804121664	KJIMPNRSCCIADM-UHFFFAOYSA-N	309.713	1.264	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)COC(F)F)c1	803173799	TVSMMEWPZCCMMR-UHFFFAOYSA-N	307.297	1.691	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CCc2nc(C)no2)cc1	802061751	TULIHTZZGUACCN-UHFFFAOYSA-N	319.321	1.172	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2ccc3c(c2)OCO3)ccn1C	809949911	GPHGXCCSZMLFPY-UHFFFAOYSA-N	315.329	1.391	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1ccc2c(c1)CCO2	804959041	XBJKFZXTDKPJCO-UHFFFAOYSA-N	322.328	1.354	50	20	DDGD	
CC(C)(C)n1nccc1NC(=O)C(=O)NNc1ncccc1F	807301833	RIUBIFAPIQNUFE-UHFFFAOYSA-N	320.328	1.254	50	20	DDGD	
CN(C)C(=O)c1cc(NC(=O)NNc2ncccc2F)ccn1	806286208	QPZPXWVBKXTXBQ-UHFFFAOYSA-N	318.312	1.466	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1C[C@@H](C)c2ccccc21	807957591	RJDKSHPFHMPXDK-KGLIPLIRSA-N	315.417	1.982	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CCn2cncn2)c(Cl)c1	802048323	PIWQUEXQAKCQSB-UHFFFAOYSA-N	322.756	1.483	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1[C@H](C)CCC[C@H]1C	299250185	KQRBQPIYSYWGDJ-HUUCEWRRSA-N	317.433	1.948	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cccc3c2OCCO3)n1	299376177	XYBIELRIRFDVTC-UHFFFAOYSA-N	300.318	1.622	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H]2CCC(=O)c3ccccc32)nc1O	806364761	HSLMZVHDGKDIIN-LLVKDONJSA-N	313.317	1.089	50	20	DDGD	
Cc1ccc(C(=O)NNc2cccc(F)n2)cc1S(C)(=O)=O	804765212	JVYKHCGSPKWPIH-UHFFFAOYSA-N	323.349	1.690	50	20	DDGD	
CSSCCNC(=O)c1cnc2nc(O)nc(O)c2c1	803480989	YEUXWRJJKDHWFI-UHFFFAOYSA-N	312.376	1.177	50	20	DDGD	
COCC(C)(C)CNC(=O)NNC(=O)c1ccccc1OC	291944997	UUTJRLYAUKPZMG-UHFFFAOYSA-N	309.366	1.312	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1nc(C2CC2)cs1	296458565	VCKHTCGGWYMIIQ-JTQLQIEISA-N	310.379	1.742	50	20	DDGD	
COCCN(C)NC(=O)c1cc(Cl)ncc1Br	296984267	FRIHMDJXGCLVBZ-UHFFFAOYSA-N	322.590	1.721	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)c1cc([N+](=O)[O-])n[nH]1	802830703	ADRKVTDXLRJXES-UHFFFAOYSA-N	301.184	1.492	50	20	DDGD	
CCc1ccc(N2C[C@@H](C(=O)NN(C)CCOC)CC2=O)cc1	808073727	PIYXLVMZQJJUGR-AWEZNQCLSA-N	319.405	1.211	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1ccccc1)Nc1cc(F)cc(F)c1	802003560	QGKHACSMIVTEOC-ZDUSSCGKSA-N	321.283	1.851	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)/C=C\Sc2ccccc2)CC1	808031832	PNWVQVJLOFAGNF-GHXNOFRVSA-N	320.418	1.281	50	20	DDGD	
NC(=O)c1cc(NC(=O)NNc2cccc(F)n2)ccc1F	806201122	AGKNSTRFPOBFGS-UHFFFAOYSA-N	307.260	1.607	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CC2(O)CCCC2)cc1	802058728	OWVPKNVEPQNWCN-UHFFFAOYSA-N	307.350	1.543	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)N[C@H]1CC1(C)C	299104406	YXHOEDUPZYWNSG-LBPRGKRZSA-N	307.350	1.203	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)[nH]1	814192993	HUSOLJAZULWXKL-UHFFFAOYSA-N	321.720	1.530	50	20	DDGD	
Cc1cc(Cl)cc2c1OCC2=NNC(=O)CN1CCCC1=O	814761202	QPIKYPICABKHDI-UHFFFAOYSA-N	321.764	1.484	50	20	DDGD	
COC(=O)C(C)(C)CC=NNC(=O)CNc1ccccc1F	814713503	QHENTHNNTSATHD-UHFFFAOYSA-N	309.341	1.929	50	20	DDGD	
CC(=NNC(=O)c1ccc[nH]1)c1ccc(N2C(=O)CCC2=O)cc1	814217229	XLTHAOWBXZYIME-UHFFFAOYSA-N	324.340	1.822	50	20	DDGD	
COCCN(C)NC(=O)c1cnc(OC(C)C)c(Cl)c1	816560821	BFFCSEBLLZXTCQ-UHFFFAOYSA-N	301.774	1.745	50	20	DDGD	
CN(NC(=O)c1cnn(CC(=O)NC2CCCCC2)c1)C1CC1	819648538	HUABKABZRJOGTP-UHFFFAOYSA-N	319.409	1.071	50	20	DDGD	
O=C(NN=Cc1ccc(Br)o1)N1CCOCC1	814819997	PAXTYEUCLPHSJT-UHFFFAOYSA-N	302.128	1.418	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1ccc(C)nc1C	814826909	MKKAEMAOMBRRBW-UHFFFAOYSA-N	314.345	1.562	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cnn(CCF)c2)cc1	813576229	NMKCGSZAKDKCCJ-UHFFFAOYSA-N	321.312	1.328	50	20	DDGD	
Cc1ccc(-c2[nH]ncc2C=NNC(=O)Cc2cc[nH]n2)cc1	814954305	CESNWEVEUPPTSZ-UHFFFAOYSA-N	308.345	1.801	50	20	DDGD	
CO[C@H]1CCC[C@@H](C(=O)NNc2nc(-c3ccncc3)no2)C1	815235932	KMFCYDHVOKSIKP-NEPJUHHUSA-N	317.349	1.780	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1ccc(F)cc1OC	816338288	CKCOBYVRQQNXCQ-SNVBAGLBSA-N	300.330	1.719	50	20	DDGD	
CC(=NNC(=O)[C@H]1COc2ccccc2O1)c1c[nH]nc1C	814700873	GSXHQAJRVHBDNB-CQSZACIVSA-N	300.318	1.398	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(Cl)ncc1Br	813421655	VPELCDWJGPZADU-UHFFFAOYSA-N	307.535	1.071	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCC(c2ccc(O)cc2)CC1	814901124	ZBMVCHFYUWNWBR-UHFFFAOYSA-N	319.361	1.878	50	20	DDGD	
Cc1ccc(C)c2c1NC(=O)C2=NNC(=O)Cc1cccnc1	728785944	ACUNCKQCMJQQJI-UHFFFAOYSA-N	308.341	1.714	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)c(Cl)n1	820936089	HEPUXTZBBBRGMY-SECBINFHSA-N	313.741	1.074	50	20	DDGD	
CN(CCC(=O)NNC(=O)CC(C)(C)C)C(=O)OC(C)(C)C	495843609	VXKMRAROHURZHI-UHFFFAOYSA-N	315.414	1.827	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1	497094801	AFSCALCGPRIRBL-AOOOYVTPSA-N	314.386	1.029	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CC[C@H](O)[C@@H](C)C2)cc(C#N)n1C	490909365	NDDALZBTVREWSN-BJYOIMKBSA-N	312.373	1.341	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H]2CC(=O)N(C(C)(C)C)C2)nn1	823148165	ZOWAATLKLYXXEV-LLVKDONJSA-N	320.397	1.058	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CSC[C@@H]2CCCO2)c1	728825648	JSJDBFVJYFYTHE-ZDUSSCGKSA-N	319.386	1.231	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)COc2ccccc2CC)nc1	728959096	YWXFYXLQFWVGFQ-UHFFFAOYSA-N	323.352	1.465	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(c2cncc(F)c2)CC1	491137860	YCDPBANMRMBQMB-VAWYXSNFSA-N	304.325	1.313	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cn(-c2ccccc2Cl)nn1	495763475	SBJBZBNCKPWKSL-UHFFFAOYSA-N	309.713	1.264	50	20	DDGD	
C[C@H]1OC(=O)N[C@H]1C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	496683504	IKSPQDGAQPZBPM-BXKDBHETSA-N	319.361	1.242	50	20	DDGD	
CCOC(=O)NNC(=S)Nc1ccc2c(c1)OCCCO2	491076194	MIOFYYUKQRRADE-UHFFFAOYSA-N	311.363	1.795	50	20	DDGD	
CN(CCC1CCCCC1)C(=O)c1ccc(B(O)O)c(F)c1	584938876	OJTVWUKFFLOAJL-UHFFFAOYSA-N	307.174	1.548	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H](C)OCc1ccc(F)cc1	822777361	CWPHWNSPMNTWEF-LLVKDONJSA-N	311.357	1.861	50	20	DDGD	
CO[C@H]1CCC[C@H](C(=O)NNC(=O)CNc2ccccc2)C1	823975247	YYBTXEZQVVOJRW-JSGCOSHPSA-N	305.378	1.451	50	20	DDGD	
COC[C@H]1CCCCN(C(=O)/C(C#N)=C/c2cnn(C)c2)C1	829520664	GFWPODAJSSSKPK-FEZXJWFHSA-N	302.378	1.602	50	20	DDGD	
Cc1cc(C)c2c(c1)C(=NNC(=O)Cc1cccnc1)C(=O)N2	728784213	BNPFLVRFSQGLRL-UHFFFAOYSA-N	308.341	1.714	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)Cc1cnc[nH]1	900018724	NINRHTXBYIBXRH-UHFFFAOYSA-N	317.418	1.841	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H](c2cccnc2)C1)C1CCCC1	826623656	HMHAGEJZKYWVPY-AWEZNQCLSA-N	302.378	1.802	50	20	DDGD	
COC(=O)N(C)NC(=O)c1nn(-c2ccc(Cl)cc2)cc1O	495761623	KUDPEYTXOQZLAW-UHFFFAOYSA-N	324.724	1.574	50	20	DDGD	
CC(C)(O)C(=O)NN=C1CCN(C(=O)OCc2ccccc2)C1	496602583	AFDIZBZFADOYHH-UHFFFAOYSA-N	319.361	1.272	50	20	DDGD	
NC(=O)N1CC[C@H](NC(=O)CCCC[C@@H]2CCSS2)C1	733971764	MRDXJWAKZMVPEM-WDEREUQCSA-N	317.480	1.970	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	822206537	MTIRGMHOXWNPEV-GDLCADMTSA-N	322.336	1.332	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC[C@@H](CC(N)=O)C1	491108274	XQXWKWMDALZHAO-IAOKNECISA-N	313.357	1.413	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CCCC(=O)C2CC2)c1	822194792	SADACSBGZUNONB-UHFFFAOYSA-N	318.373	1.671	50	20	DDGD	
O=C(C[C@@]12CCCC[C@@H]1C2(F)F)Nc1cccc(B(O)O)c1	584912396	RMNWBIKSWKIQCX-JSGCOSHPSA-N	309.121	1.521	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)cc1C	908325637	WKARPJLTBHWHLJ-NWANDNLSSA-N	316.357	1.840	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2CCN(C)CC2)c(F)c1	837210105	XWLZJWPZECODCY-UHFFFAOYSA-N	309.341	1.397	50	20	DDGD	
C[C@]1(C(=O)Nc2cccc(B(O)O)c2)CCCc2ccccc21	584909373	CWTPVNAIKOSOEI-SFHVURJKSA-N	309.174	1.599	50	20	DDGD	
C[C@H]1CC[C@@H](NC(=O)NNC(=O)Nc2ccc3c(c2)OCO3)C1	836414875	BXAYTDPTQNHQIO-VHSXEESVSA-N	320.349	1.940	50	20	DDGD	
CC(C)(C)CCC(=O)NNC(=O)CNC(=O)OC(C)(C)C	494741219	CWNSMXWVVDRJTM-UHFFFAOYSA-N	301.387	1.485	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1cc(C#N)ccc1Br	901226707	DLEFLIQSODAXEL-UHFFFAOYSA-N	310.151	1.542	50	20	DDGD	
CN1CCO[C@H](C(=O)NNc2ccc(Cl)cc2Cl)C1=O	901161749	GFFFSMMFYOISHV-SNVBAGLBSA-N	318.160	1.294	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCO[C@@H](c3ccccc3)C2)cc1	585036275	HAKZUDXAKPXXHR-QZTJIDSGSA-N	311.190	1.376	50	20	DDGD	
O=C(NCCOCC(F)(F)F)NNc1ncc(F)cc1F	837451042	DZZJHOQFBNIIAX-UHFFFAOYSA-N	314.214	1.565	50	20	DDGD	
Cn1ccc2c(C(=O)NNC(=O)[C@H]3CCCCO3)cccc21	833250293	FCGMQAAJEXYFKJ-CQSZACIVSA-N	301.346	1.508	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)NC1CN(C(=O)O)C1	831742597	LGAPFSUHRWYOGU-UHFFFAOYSA-N	316.264	1.276	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NNC(=O)[C@@H]1CCCCO1	833778335	BEJYPDCEGCBRQQ-IUCAKERBSA-N	321.215	1.513	50	20	DDGD	
C[C@H]1C[C@H]1C(=O)NNC(=O)CSc1ccccc1[N+](=O)[O-]	730592348	HGAOGZZDBQYJHX-DTWKUNHWSA-N	309.347	1.490	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(CN2CCCCC2=O)cc1	837622101	RIYYTQHFXSUGEU-UHFFFAOYSA-N	319.405	1.422	50	20	DDGD	
CCc1c(C(=O)Nc2cccc(B(O)O)c2)[nH]c(C)c1C(C)=O	584911308	UJQDAVPKXJFHBR-UHFFFAOYSA-N	314.150	1.020	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CSC[C@H](C)C(=O)O)c1	832962880	DFJHCDDTLCCYHD-JTQLQIEISA-N	310.375	1.210	50	20	DDGD	
COc1ccc(C=NNC(=O)NCC(F)(F)F)c(O)c1OC	901170815	RUCLZAPSBTXQID-UHFFFAOYSA-N	321.255	1.605	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCC(=O)N(CC)c1ccccc1	905009098	MRJWGTWLKFFWEX-QBFSEMIESA-N	301.346	1.600	50	20	DDGD	
CC[C@H](C)[C@H](NNC(=O)COc1ccccc1OC)C(=O)OC	905748306	VRBKAJSGQVLONK-NHYWBVRUSA-N	324.377	1.283	50	20	DDGD	
O=C(NC1(Cc2ccccc2)CCC1)c1ccc(B(O)O)cc1	584962165	JJPVSCQTDXMRPS-UHFFFAOYSA-N	309.174	1.262	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1F	831682737	IGAZTAQIRVVVDB-DTWKUNHWSA-N	311.313	1.412	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC(n2c(C)ccc2C)CC1	732200496	XUBSDSSCFMMKLF-AWEZNQCLSA-N	320.437	1.688	50	20	DDGD	
OB(O)[C@H]1CCN(c2nc(-c3cccnc3)nc3c2CCC3)C1	585072502	BJUGXKOXFYBYCX-LBPRGKRZSA-N	310.166	1.080	50	20	DDGD	
Cn1cc(C(=O)NNc2nccc3sccc23)ccc1=O	734248623	QTPVNCLLOIIFPK-UHFFFAOYSA-N	300.343	1.752	50	20	DDGD	
CC(CS(=O)(=O)c1ccccc1)=NNC(=O)c1ccncc1	735408310	VEQIROITKKFBGQ-UHFFFAOYSA-N	317.370	1.661	50	20	DDGD	
CC(C)OC(=O)CCNC(=O)NNc1c(F)cccc1F	735755625	FPXHNXCSQPLGJP-UHFFFAOYSA-N	301.293	1.933	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC[C@@H](N2CCCC2)C1	866716469	OTGJMSCTVDITPZ-GFCCVEGCSA-N	308.875	1.751	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NCCC[C@H]1CCOC1	836646026	BBOGJIXESMCJQT-AWEZNQCLSA-N	319.405	1.685	50	20	DDGD	
O=C(O)CCOc1cccc(C=NNC(=O)[C@@H]2CCCCO2)c1	834990671	ZQVKPMBEGDODSB-AWEZNQCLSA-N	320.345	1.559	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2c(C)n[nH]c2C)cc1OC	915941023	ITTYPZZIWZPEIQ-UHFFFAOYSA-N	302.334	1.808	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1cccc(Br)n1	837210338	LBHHJYRPTCJTJY-JTQLQIEISA-N	323.194	1.385	50	20	DDGD	
O=C(CCN/C(O)=C1\N=CC=CC1=O)NNc1cccc(F)c1	748091304	PGZPWOUBJQXKLM-CCEZHUSRSA-N	318.308	1.185	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NN(C)C[C@H](C)O)cc1OC	910152263	NBZKKIMHPLLZLR-NEPJUHHUSA-N	310.394	1.226	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)Cc2cn3ccccc3n2)s1	748788547	GXMTVYZQVXUADZ-UHFFFAOYSA-N	309.354	1.960	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@H]2CC[C@H](C)CC2)c1O	846632585	PCAVZDVWZRNIFQ-XYPYZODXSA-N	306.362	1.988	50	20	DDGD	
CC(C)(C)OC(=O)c1ccc(C(=O)NNc2cccnn2)nc1	843853160	OTHZIYRIBVPTKR-UHFFFAOYSA-N	315.333	1.584	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNc1ccc(CC(=O)OC)cc1	846372557	VLZYKDIUIYKNJL-HNNXBMFYSA-N	319.405	1.720	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCCC1=NNC(=O)c1ccccc1O	741452135	YSVZNHNZEOSNNB-CYBMUJFWSA-N	310.375	1.465	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCOC2(CCC2)C1)OCC(F)(F)F	912596807	IUJFPRPSWVDJJR-QMMMGPOBSA-N	310.272	1.655	50	20	DDGD	
O=C(NC[C@@H]1Cc2ccccc2O1)NNC(=O)C1CCCC1	916516032	IVRKOFAGUKNZEF-ZDUSSCGKSA-N	303.362	1.511	50	20	DDGD	
CN(C)C(=O)NNC(=O)CC1(NC(=O)OC(C)(C)C)CCC1	746840672	YIKCHEYQSINVBD-UHFFFAOYSA-N	314.386	1.126	50	20	DDGD	
CCN(CC)c1ccc(C(=O)NNC(=O)C2CCOCC2)cc1	917510304	AMFCNCLOUCXTOH-UHFFFAOYSA-N	319.405	1.720	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cnn(Cc2ccccc2Cl)c1	910180130	RUQMSNDMEMULAT-LLVKDONJSA-N	322.796	1.542	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)NCc2ccco2)n(C)n1	746592680	TWLBBSSKFZNHAW-UHFFFAOYSA-N	305.338	1.281	50	20	DDGD	
CC[C@@H](O)[C@H](C)C(=O)NNc1ncc(Br)cn1	912059921	KNRKCBZJYXNZPS-POYBYMJQSA-N	303.160	1.089	50	20	DDGD	
CN(CC(=O)NNC(=O)C1CCCC1)c1ccccc1[N+](=O)[O-]	742532949	HXELQKIHRYYHKC-UHFFFAOYSA-N	320.349	1.369	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H](C)[C@H](C)S(C)(=O)=O)cc1	841438091	GDRRELIMAOIMIX-QWRGUYRKSA-N	314.407	1.598	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1	911444462	FDQGJFCKLLSJST-LURJTMIESA-N	305.693	1.345	50	20	DDGD	
C[C@H](Cc1cnc[nH]1)C(=O)NNC(=O)Cc1ccccc1F	847475273	FUAFYRPVVPCLFW-SNVBAGLBSA-N	304.325	1.118	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)c2cc(Cl)ccc2O)cn1	849211976	GXNKWUBRKXPVHE-UHFFFAOYSA-N	306.709	1.219	50	20	DDGD	
CC(=O)CCc1ccc(OCC(=O)NNC(=O)C(C)C)cc1	745107458	CZTXPJCRMVLPML-UHFFFAOYSA-N	306.362	1.390	50	20	DDGD	
CC(C[C@H]1CCCC(=O)N1)=NNC(=O)[C@H](C)CN1CCCCC1	841615210	XXTGTMXKWZYZJJ-UKRRQHHQSA-N	322.453	1.659	50	20	DDGD	
O=C(CCN1CCCCCC1)NN=Cc1cccc(O)c1O	916355954	QYRUEYMVUVUWLG-UHFFFAOYSA-N	305.378	1.814	50	20	DDGD	
O=C(Cc1csc(-c2nc[nH]n2)n1)NNc1ccccc1F	748050373	HJJWKPSDAZXKNW-UHFFFAOYSA-N	318.337	1.753	50	20	DDGD	
C[C@@H](Oc1ccccc1)C(=O)NNc1ccnc(N(C)C)n1	740118966	YWZKLGHZCRASOB-LLVKDONJSA-N	301.350	1.453	50	20	DDGD	
CCO[C@H]1C[C@@H](N(C)CC(=O)NNC(=O)C(C)(C)C)C1(C)C	744405211	MWKBURIEGYNIQP-NEPJUHHUSA-N	313.442	1.315	50	20	DDGD	
O=C(C=C1CCCC1)NNC(=O)c1ccc2c(c1)OCCO2	917629828	YUHSBKGLNKNOFW-UHFFFAOYSA-N	302.330	1.719	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cc(Cl)cc([N+](=O)[O-])c1O	843797216	YLMWGXWHMSSPEU-UHFFFAOYSA-N	313.697	1.515	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)c1cccc(C#N)c1)CC(C)C	841578405	LHACGTIKDJRRHD-CQSZACIVSA-N	318.377	1.563	50	20	DDGD	
Cc1[nH]nc(C(F)(F)F)c1C(=O)NNC(=O)c1ccccn1	746579741	IVWWBKBSSITDRH-UHFFFAOYSA-N	313.239	1.207	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O	843767732	LQXJOYAKRZDZRN-UHFFFAOYSA-N	315.713	1.761	50	20	DDGD	
Cc1cc2ncc(C(=O)NNc3ccc(C#N)cc3)c(C)n2n1	748102241	XDKLZEXGOVKEIW-UHFFFAOYSA-N	306.329	1.975	50	20	DDGD	
CCN1C[C@@H](NC(=O)NNc2cc(Cl)ccc2C)CC1=O	922722230	ORNVNVNJBFQTDM-NSHDSACASA-N	310.785	1.895	50	20	DDGD	
O=C(NNc1cccc2cnccc12)[C@@H]1CCCS1(=O)=O	847600870	CTZUXFUJTQDIER-ZDUSSCGKSA-N	305.359	1.255	50	20	DDGD	
Cn1cc(C=NNC(=O)CC(F)(F)F)c(-c2cccnc2)n1	920373258	BMQYMPXZVXXYSX-UHFFFAOYSA-N	311.267	1.885	50	20	DDGD	
O=C(NN=Cc1cccc(O)c1O)c1nnc(-c2ccccc2)o1	920382031	CXQRFAFEWAILTK-UHFFFAOYSA-N	324.296	1.912	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)OC(C)(C)C)n2nc(C)cc2n1	920403177	XARXDQIPVODNHZ-UHFFFAOYSA-N	305.338	1.516	50	20	DDGD	
C[C@@]1(CNC(=O)c2coc(C(N)=O)c2)C[C@@H]1Br	857394888	PKWQGKTWTWRECB-KWQFWETISA-N	301.140	1.282	50	20	DDGD	
CCC1(CC)[C@H](NC(=O)NNC(=O)c2cn[nH]c2)[C@@H](C)[C@H]1OC	858342393	OHJNKLAPAQWCKC-YUSALJHKSA-N	323.397	1.193	50	20	DDGD	
Cc1nccn1CCCC(=O)NNC(=O)c1ccccc1F	920927992	MMIVZZKWCCISML-UHFFFAOYSA-N	304.325	1.572	50	20	DDGD	
CC(=O)N1CCc2cc(NC(=O)NNC(=O)CC3CC3)ccc21	755537601	VWYJDQWAARPUQN-UHFFFAOYSA-N	316.361	1.548	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2CCn3cncc3C2)C[C@H]1Br	857395493	SEIOXWKAMIVCBV-UFGOTCBOSA-N	312.211	1.735	50	20	DDGD	
CN1CCC(NC(=O)NC[C@@]2(C)C[C@H]2Br)CC1	856830145	GQPLMMLBEUBQAV-ZYHUDNBSSA-N	304.232	1.553	50	20	DDGD	
COCCn1cc(C(=O)NNc2ncc(F)cc2F)c(C)n1	857533063	GLUQJLXPUJUFRA-UHFFFAOYSA-N	311.292	1.268	50	20	DDGD	
CC(C)N1CC(=NNC(=O)c2ccc3c(c2)OCCO3)[C@H](C)C1	754262127	YFPMESHQQCFDMD-GFCCVEGCSA-N	317.389	1.904	50	20	DDGD	
CC(C)C(=O)NNC(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1	920049220	SQXVTHUENWWJPU-LBPRGKRZSA-N	322.384	1.638	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2cnc(N(C)C)s2)n1	755614005	VPOVDFSLUKGIPJ-UHFFFAOYSA-N	309.420	1.667	50	20	DDGD	
C[C@@H](CC(=O)NNC(=S)NCC1CCC1)c1cnn(C)c1	855092632	LQWLVRSRPDDOMB-JTQLQIEISA-N	309.439	1.209	50	20	DDGD	
O=C(NC[C@H]1CCCCC(F)(F)C1)NNC(=O)c1cn[nH]c1	858482793	WJVWJHRJNFPHKW-VIFPVBQESA-N	315.324	1.569	50	20	DDGD	
CC(C)c1ccccc1OCCC(=O)NNC(=O)c1cc[nH]n1	855357874	SQZDHNWKEHIFEF-UHFFFAOYSA-N	316.361	1.763	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)C1CC(C)(C)CC(C)(C)C1	854290692	BIJSRRGMUCJNER-UHFFFAOYSA-N	311.426	1.511	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)OCC(=O)NCC(C)(C)C)cn1	859708907	DFCPFKGWBIPJEA-LFYBBSHMSA-N	304.350	1.033	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC2C[C@@H]3CC[C@H](C2)N3C)c1	858517190	CXNJNPYRFMEASR-YOGCLGLASA-N	322.434	1.626	50	20	DDGD	
CCC1(C(=O)OCC(=O)NNC(=O)c2cccc(C)c2)CC1	750488298	WPPDFCHUOOLHQB-UHFFFAOYSA-N	304.346	1.489	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)C2(N(C)C)CC2)cc1C	854572680	AKHHWRSXMUMLCF-UHFFFAOYSA-N	305.378	1.709	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@@H]3OCC[C@@H]3C2)C[C@@H]1Br	856892752	IVAZHGIKQPEEDL-MPPDQPJWSA-N	317.227	1.980	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@]1(C)COc2ccccc2O1	858165954	ULXFAQXYMAUFJH-INIZCTEOSA-N	315.329	1.016	50	20	DDGD	
C[C@H]1c2ccc(F)cc2CCN1C(=O)NNC(=O)c1cn[nH]c1	858704553	MEMRXFYRRKJGIW-VIFPVBQESA-N	317.324	1.523	50	20	DDGD	
C[C@@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)c1ccccc1F	759765387	AXFDHTSKZMZUOY-QWRGUYRKSA-N	309.341	1.585	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)c1cccs1)[C@H]1CCCO1	754518155	WBVYRJICKKBFLI-GHMZBOCLSA-N	311.407	1.056	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccn(Cc2ccccc2)n1	756079142	QNXWONINOZPVTI-UHFFFAOYSA-N	313.361	1.884	50	20	DDGD	
CC1(C)C(CNC(=O)NNC(=O)c2cccc(F)n2)C1(C)C	852298582	DRNUIDIVBSFLFN-UHFFFAOYSA-N	308.357	1.847	50	20	DDGD	
CCC1(CC)C(=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)C[C@@H]1OC	853388794	OFCYNOSFYZHJJG-IPYPFGDCSA-N	323.437	1.547	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)c2c(C)nc3ccccn23)o1	753900025	FTXPKAWLXBGDQE-UHFFFAOYSA-N	312.329	1.548	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C1C[C@H](C)N(C2CC2)C1	753954430	AXTMTGRHUXMAFX-LBPRGKRZSA-N	317.389	1.803	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC(c2ncco2)CC1	931444444	JICJWKYAMVNEAQ-LBPRGKRZSA-N	322.409	1.436	50	20	DDGD	
CCn1nccc1C=NNC(=O)Cn1c(C)nc2ccccc21	753690308	UAMNOXHJRDZIOV-UHFFFAOYSA-N	310.361	1.711	50	20	DDGD	
CC(C)CC=NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1	863966130	XHUQILVDNWLFLN-UHFFFAOYSA-N	311.407	1.699	50	20	DDGD	
C[C@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)CC(C)(C)CCl	866953866	PLCHBJGMUHTQDU-CMPLNLGQSA-N	308.875	1.654	50	20	DDGD	
CCS(=O)(=O)N[C@@H](C)C(=O)NNc1ccc(F)c(Cl)c1	863082941	VQIHSIMHWVEAEU-ZETCQYMHSA-N	323.777	1.250	50	20	DDGD	
CO[C@]1(CNC(=O)NNC(=O)Nc2ccccc2C)CCOC1	763709164	ISIOGQHFVVBABV-HNNXBMFYSA-N	322.365	1.136	50	20	DDGD	
C[C@H](CS(C)(=O)=O)NC(=O)[C@H](Br)C(C)(C)C	768146732	SBVZKIGNRPTIOW-SFYZADRCSA-N	314.245	1.345	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)/C=C/CN1CCOCC1	868026048	DFRAIMSOTFCIQJ-QPJJXVBHSA-N	318.377	1.036	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2ccc(F)c(C#N)c2Cl)CC1	761831284	PCBKCCHTJLTLCE-UHFFFAOYSA-N	323.759	1.642	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NC[C@H]1CCCCN1C1CC1	764842380	SEPBLFIARXZHGS-CYBMUJFWSA-N	310.442	1.770	50	20	DDGD	
COc1ccc(NCC(=O)NN=C2CCS(=O)CC2)cc1	761794035	REUSRASFIWOITC-UHFFFAOYSA-N	309.391	1.122	50	20	DDGD	
C[C@H](NNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C(F)(F)F	862322995	OAOAWYSODGVOEL-IMTBSYHQSA-N	307.228	1.200	50	20	DDGD	
CC[C@](C)(NC(=O)NNC(=O)Cc1ccncc1)C(F)(F)F	933515565	IWZKRTMVPQLKJD-LBPRGKRZSA-N	318.299	1.686	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@H](c1ccc(OC)nc1)C1CC1	860207204	FPISNVHUHYCOJA-BMIGLBTASA-N	320.393	1.077	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1c(F)ccc(F)c1Cl	869900684	GGYQWNFPYVRJKS-UHFFFAOYSA-N	322.695	1.042	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1oc2c(F)cccc2c1C	869912823	YDHPCITYHXUTMP-UHFFFAOYSA-N	324.308	1.304	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)N2CCOCC2)[C@H](C)C1	761261739	POXORCKTQBPUPS-VXGBXAGGSA-N	311.382	1.384	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cn(C3CC3)nn2)n1	863896985	OVDGQYWEZBZELN-UHFFFAOYSA-N	316.369	1.006	50	20	DDGD	
COc1ccc(C(=O)C(=O)NNc2cc(C)ncn2)cc1Cl	761078235	MVDVZVLQSORZNT-UHFFFAOYSA-N	320.736	1.773	50	20	DDGD	
CC(=O)Nc1ccccc1CC(=O)NN[C@@H](C)C(F)(F)F	862317300	KBWFWMDCDVQVDO-QMMMGPOBSA-N	303.284	1.759	50	20	DDGD	
COC(=O)c1coc(C(C)=NNC(=O)c2ccc(N)cc2)c1	766432745	ZSAFPZXPVIXEOH-UHFFFAOYSA-N	301.302	1.802	50	20	DDGD	
C[C@@](O)(CC(=O)NNc1nncc(N)c1Cl)c1ccccc1	1116514756	PFEWFKWRBKOCBK-CQSZACIVSA-N	321.768	1.453	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccc([N+](=O)[O-])c(Cl)c1	768716714	QFIUPAVWQYRRMR-UHFFFAOYSA-N	311.660	1.934	50	20	DDGD	
CCc1c(C(=O)NNC(=S)NC(C)C)[nH]c(C)c1C(C)=O	1115866199	XHMRIRTZEUCGQU-UHFFFAOYSA-N	310.423	1.605	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)Cc2ccc(F)cc2)CCC1=O	763270673	SXSLMZQWCXTMJG-JQWIXIFHSA-N	306.337	1.521	50	20	DDGD	
C#CCOCCC(=O)NNC(=S)Nc1cc(C)ccc1C	873755671	QPYDGCZDMIXYLA-UHFFFAOYSA-N	305.403	1.661	50	20	DDGD	
CCOCCCC(=O)NNC(=O)c1nc2ccccc2s1	874914019	ZKVPMYOJLJTDGR-UHFFFAOYSA-N	307.375	1.874	50	20	DDGD	
Cc1ccc(F)c(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)c1	772073816	DHCHLKKKVGRQFU-LLVKDONJSA-N	324.352	1.873	50	20	DDGD	
CCOc1cccc(NC(=O)NNC(=O)C2CCOCC2)c1	878364350	PRBCMHNKKBGBFE-UHFFFAOYSA-N	307.350	1.665	50	20	DDGD	
CC(C)(C)NCC(=O)NNC(=O)c1ccc(Cl)cc1F	1116188284	VEBCWVGFVFZCDA-UHFFFAOYSA-N	301.749	1.628	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)Oc1cccc(C)c1	771934230	OZBOEXCLXBLBSR-NEPJUHHUSA-N	322.361	1.251	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1CCCc2ncccc21	872337102	UHDOPRYQIVFNIQ-CYBMUJFWSA-N	316.405	1.207	50	20	DDGD	
CCOc1ccc(O)c(C=NNC(=O)c2sc(N)nc2C)c1	874111230	GJWVZQUMZAFXOC-UHFFFAOYSA-N	320.374	1.902	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2cc3n(n2)CCC3)c1	873777392	OOTNLXNFXCPMOR-UHFFFAOYSA-N	315.402	1.769	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H](C)CC(N)=O)c(C)c1	873760364	BPTUCYJSXPJOIB-JTQLQIEISA-N	308.407	1.133	50	20	DDGD	
CC(C)n1ccc(CC(=O)NNC(=S)Nc2ccccn2)n1	874956965	VQIKBUFHSORBCE-UHFFFAOYSA-N	318.406	1.419	50	20	DDGD	
CC1(OCC(=O)NNC(=O)COc2ccc(F)cc2)CCC1	773259236	YFKSCPFNNKZOKP-UHFFFAOYSA-N	310.325	1.311	50	20	DDGD	
C=C/C=C\CCNC(=O)NNC(=O)Cc1ccccc1OC	883826048	ZJQGRAZWYNPNAQ-PLNGDYQASA-N	303.362	1.700	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CCC[C@H]2OC)c(F)c1	1120742898	KBSNTJOLMGAMET-ZWNOBZJWSA-N	310.325	1.871	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNc1cccc(S(C)(=O)=O)c1	776715120	QBKIYJFOOBPVDR-LBPRGKRZSA-N	300.380	1.348	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCCSC(C)(C)C	772216556	SMFJSTZZIHMXJU-SNVBAGLBSA-N	318.439	1.787	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1ccc(F)c([N+](=O)[O-])c1)C(C)C	771595906	KWJJVLRPDVCMMF-LBPRGKRZSA-N	312.301	1.338	50	20	DDGD	
CC(C)Cn1ccc(C(=O)NNC(=O)c2ccccc2F)n1	887628148	KEEHHXAMBYGPLA-UHFFFAOYSA-N	304.325	1.753	50	20	DDGD	
COCC(=O)NN=C(C)c1ccc(OC)cc1Br	776187916	PLMFEUYODINOPX-UHFFFAOYSA-N	315.167	1.944	50	20	DDGD	
O=C(CCc1ccc(O)nc1)NNC(=O)c1ccc(Cl)nc1	787015494	FHWQFCKGZTYWFP-UHFFFAOYSA-N	320.736	1.229	50	20	DDGD	
CCC[C@@H](C)[C@@H]1CCCN1C(=O)NNC(=O)c1cccnn1	883850726	CYFXBPXGCBPWIV-YPMHNXCESA-N	305.382	1.732	50	20	DDGD	
CO[C@]1(C(=O)NNC(=O)c2ccc(Cl)cc2)CCSC1	887605270	YMDCKBAMEMECJR-CYBMUJFWSA-N	314.794	1.623	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C(=O)Nc1cccnc1Cl	784851859	KHUMWMBBLFJDGT-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
Cc1c[nH]cc(C(=O)NNc2ncccc2C(F)(F)F)c1=O	781428839	YIJICYDYPNNFAO-UHFFFAOYSA-N	312.251	1.854	50	20	DDGD	
NC(=O)CCCC(=O)NNc1ccc(OC(F)(F)F)cc1	787460594	IYEYXQMNBKXJOP-UHFFFAOYSA-N	305.256	1.684	50	20	DDGD	
COc1ncc(C(C)=NNC(=O)c2c[nH]nc2C)cc1Cl	789020632	JAYGTZAVAKTZHL-UHFFFAOYSA-N	307.741	1.929	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)COc2ccccc2O)c(C)c1	780489034	YCDROLYGMBONMR-UHFFFAOYSA-N	315.329	1.244	50	20	DDGD	
CCc1cccc(Cl)c1C=NNC(=O)C(=O)N1CCCC1	788712250	CRFNLDKSRMLSLE-UHFFFAOYSA-N	307.781	1.975	50	20	DDGD	
CN(C)N(C(=O)c1ccnc(C2CC2)c1)[C@H]1CCS(=O)(=O)C1	783387611	MBBXPLNWUOMUMD-ZDUSSCGKSA-N	323.418	1.065	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCN2CCC[C@@H]2C)c1	897491077	CBKGPQIKUBWIGL-LBPRGKRZSA-N	320.393	1.584	50	20	DDGD	
N#Cc1ccc(C[C@H](C#N)C(=O)NNc2ccnc(F)c2)cc1	792305469	AYURQEWWBJRNGS-CYBMUJFWSA-N	309.304	1.918	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCC[C@@H]1c1ccccn1	794882234	ZPNGXJFHUSZAJR-GFCCVEGCSA-N	300.362	1.444	50	20	DDGD	
COc1cncc(C(=O)NNC(=O)Nc2ccccc2C)n1	791113537	FYHQPWSVKHVSHI-UHFFFAOYSA-N	301.306	1.260	50	20	DDGD	
Cc1cc(C=NNC(=O)N2CCN(C)CC2)cc2cccnc12	790175341	ZCWDLXHXVUAMAW-UHFFFAOYSA-N	311.389	1.834	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1cc(Br)ccn1	794333356	LUMWTIQQMCOWDB-UHFFFAOYSA-N	313.155	1.797	50	20	DDGD	
CCc1nn(C)cc1NC(=O)NNc1nc2ccccn2n1	792356992	RIRNKBXXNYBFAA-UHFFFAOYSA-N	300.326	1.174	50	20	DDGD	
COc1ccc2nc(NNC(=O)CC3OCCO3)c(C)cc2c1	793780251	LJPVIBYYPLKXEZ-UHFFFAOYSA-N	317.345	1.758	50	20	DDGD	
CCOC[C@@H](N[C@H](C)C(=O)NNC(=O)CC(C)C)C(C)C	794599703	HJXKCZRNJQDORG-CHWSQXEVSA-N	301.431	1.219	50	20	DDGD	
CO[C@H](C(=O)NNc1ccnc(Br)c1)C1CC1	792335568	OVZLWMKBVYOQDD-JTQLQIEISA-N	300.156	1.712	50	20	DDGD	
CSSCCNC(=O)NCCCNC(=O)C1CCC1	790759526	GTOVVBYNCKZPBU-UHFFFAOYSA-N	305.469	1.603	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)c2ccc3c(c2)OCO3)o1	794374761	NVDUQNVTVOMEQS-JTQLQIEISA-N	316.313	1.881	50	20	DDGD	
CCN1CCN(S(=O)(=O)c2ccc(CCl)cc2)CC1	49911637	UUFXYPZRXSWSBG-UHFFFAOYSA-N	302.827	1.752	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccccn2)c(C(F)(F)F)c1	1319988617	DCAVTWULFNLYTE-UHFFFAOYSA-N	312.251	1.514	50	20	DDGD	
Cn1cc(C(N)=O)c(NC(=O)[C@@H](Br)C(C)(C)C)n1	1320568008	CFKCQWRXYYGOEU-SSDOTTSWSA-N	317.187	1.267	50	20	DDGD	
Cc1ccc2c(c1)S[C@@H](C(=O)NNC(=O)c1cccn1C)C2	1322052411	QZKGVMSJYKYOMF-CQSZACIVSA-N	315.398	1.812	50	20	DDGD	
Cc1ccc([C@H](C)N(C)C(=O)NNC(=O)c2cn[nH]c2)cc1	1329758134	FSSYQSVHZDIBRH-NSHDSACASA-N	301.350	1.766	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CC1CCN(CC(F)F)CC1	1329804085	GOLOTUFYHAKFIL-UHFFFAOYSA-N	322.425	1.257	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)C2(O)Cc3ccccc3C2)n1	1326103986	FBHPLVSKOJRVBR-UHFFFAOYSA-N	318.764	1.411	50	20	DDGD	
COCCN(C1CCCC1)[C@@H](C)C(=O)NNC(=O)CC(C)C	1324166356	DDBYWSSMIZOBDG-ZDUSSCGKSA-N	313.442	1.459	50	20	DDGD	
CC(=NNC(=O)CCN1CCC(C)CC1)c1cnn(C)c1C	1320721068	IKTDCGLWJQZLCB-UHFFFAOYSA-N	305.426	1.691	50	20	DDGD	
C[C@@H](C[S@@](C)=O)NC(=O)NNc1ccc(C(C)(C)C)nn1	1320334336	RHZWEKJZPQEVOX-JLTPVHFHSA-N	313.427	1.167	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1CCOc2cc(OC)ccc21	1332976567	QZDOVORCCNVIMF-LLVKDONJSA-N	309.322	1.431	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2ccnn2CC(F)F)nn1	1256254963	OIDJATUBCVIFPK-UHFFFAOYSA-N	324.335	1.993	50	20	DDGD	
C[C@@H](NC(=O)NNc1nncc(N)c1Cl)[C@H]1CCCOC1	1254358804	LMUUUVUTXSFIJK-SFYZADRCSA-N	314.777	1.153	50	20	DDGD	
O=C(c1cccc(CCl)c1)N1CCOC[C@@H]1c1nn[nH]n1	1337379491	YICFMERAYRLRAB-LLVKDONJSA-N	307.741	1.152	50	20	DDGD	
CN[C@@H](C)CCNC(=O)NNc1ccc(OC(F)F)cc1	1331456908	SRKKWMKDXNUXRN-VIFPVBQESA-N	302.325	1.912	50	20	DDGD	
CNC[C@@H](C)CNC(=O)NNC(=O)c1ccc(Cl)cc1F	1348555585	QLOUIAFMNKSQDD-MRVPVSSYSA-N	316.764	1.279	50	20	DDGD	
COCc1nocc1C(=O)NC[C@]1(C)C[C@H]1Br	1261780406	MXLRXTYEWABWCD-KOLCDFICSA-N	303.156	1.724	50	20	DDGD	
CSC(C)(C)C(=O)NNC(=O)c1cncn1-c1ccccc1	1347300706	ZAOLEPYZYVZXEB-UHFFFAOYSA-N	318.402	1.775	50	20	DDGD	
CC[C@]1(C(=O)NNC(=O)c2ccccc2Cl)CCNC1=O	1351735921	DKPSMTLODACIDF-AWEZNQCLSA-N	309.753	1.017	50	20	DDGD	
C[C@]1(COC(=O)c2cnn3c2OCCC3)C[C@@H]1Br	1526044063	GCSUHQVJRLGXHU-JOYOIKCWSA-N	315.167	1.996	50	20	DDGD	
O=C(/C=C\c1ccc(O)c(O)c1)NNc1cccc(C(=O)O)c1	1601238630	METYTBPPLRLVOW-ALCCZGGFSA-N	314.297	1.953	50	20	DDGD	
O=C(O)Cc1c(C(=O)NNc2cccnn2)[nH]c2ccccc12	1608775730	YILRCURZAMIEBS-UHFFFAOYSA-N	311.301	1.342	50	20	DDGD	
C[C@@H](Cc1ccc(NC(=O)NN=c2cc[nH]cc2)cc1)C(=O)O	1609756900	SDVHLEHCDZNLAH-NSHDSACASA-N	314.345	1.915	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cnn3c2OCCC3)c1	1602450067	HLBPMBQFVNKXLX-UHFFFAOYSA-N	302.290	1.121	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSCc1ccccc1C(=O)O	1603301075	QEVDJLCAGPAMAP-UHFFFAOYSA-N	324.402	1.812	50	20	DDGD	
Cc1ncc2n1C[C@@H](C(=O)NNc1ccccc1C(=O)O)CC2	1600748860	CPPTXMCGGNHXAJ-NSHDSACASA-N	314.345	1.595	50	20	DDGD	
O=C(O)c1cc(Cl)cc(Cl)c1N1CC[C@@H](B(O)O)C1	1602265861	XVPKYZAQYWZXJS-ZCFIWIBFSA-N	303.938	1.745	50	20	DDGD	
CC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)O	1801957746	NUPVXFMDQLICBG-ZIQFBCGOSA-N	302.802	1.023	50	20	DDGD	
CCc1ccc(C(C)=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)o1	1549317638	MOCBHBPRRUDJPX-IUODEOHRSA-N	305.378	1.545	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@]2(C(=O)O)CC2(C)C)c1	1574396905	CFQAIAIXMCBKPH-INIZCTEOSA-N	320.345	1.022	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1Cc2c(F)cc(C)cc2N1	1574545546	RNROOQZAIKKBEF-CQSZACIVSA-N	303.337	1.422	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc2c(s1)CNCC2	1575139639	ADBLXGDNAMXIQU-UHFFFAOYSA-N	312.464	1.301	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2ccccc2CN)c1	1579773175	VUZDGFCDCPPKLI-UHFFFAOYSA-N	313.357	1.294	50	20	DDGD	
O=C(NNc1nccnc1Cl)[C@@H]1NCC[C@H]2CCCC[C@H]21	1580743271	XDSFJWYJIJONQJ-GMTAPVOTSA-N	309.801	1.741	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)c2cnco2)C1	1841729485	TXYAAZQUXUTARC-VIFPVBQESA-N	301.705	1.026	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@]2(C(=O)O)CC=CCC2)cc1O	1594346653	AZIIEHYVKAXRHC-MRXNPFEDSA-N	318.329	1.273	50	20	DDGD	
O=C(O)CCCC(=O)NNC(=O)Cn1ccc2ccccc21	1595027687	DJIUXFPVQNQEHH-UHFFFAOYSA-N	303.318	1.044	50	20	DDGD	
O=C(CCc1ccc(-c2nn[nH]n2)cc1)NNc1ccccc1	1592851721	HSGYDPXTQTYBLD-UHFFFAOYSA-N	308.345	1.943	50	20	DDGD	
Cc1ccc(NNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)c(Cl)c1	1592184674	BDKAIJVIJPOUKN-UHFFFAOYSA-N	317.740	1.914	50	20	DDGD	
O=C(O)C1(C(=O)NNc2cc(Cl)nc3ncccc23)CC1	1594865540	XCBVZTFFQUIRCR-UHFFFAOYSA-N	306.709	1.591	50	20	DDGD	
CO[C@](C)(C(=O)O)C(=O)NNc1cc(C(F)(F)F)ccn1	1593926760	MZRWGUJNFDPTCV-JTQLQIEISA-N	307.228	1.033	50	20	DDGD	
C[C@@H]1CCN(S(=O)(=O)CC(C)(C)CCl)[C@H](C(=O)O)C1	1594426110	AQORXQTZYIGSOS-ZJUUUORDSA-N	311.831	1.766	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(O[C@@H](C)C(=O)O)c(F)c1	1598884217	PRKXMDFJZGYROK-LURJTMIESA-N	315.257	1.070	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=Cc1c[nH]c2c(C(=O)O)cccc12	1776058167	KYBSIRLYDUUMOZ-UHFFFAOYSA-O	323.332	1.304	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2cc(C)oc2C)cc1	15813568	BLHVGAPTYDHALE-UHFFFAOYSA-N	315.329	1.605	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@@H]1CCCO1	15902210	MNDYROFBNDKBNL-ZZTKBFGJSA-N	306.406	1.919	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccccc1Cl)c1ccccc1	16123757	ZXWNNDWBJVAJKG-UHFFFAOYSA-N	310.762	1.963	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2ccc(F)cc2F)ccn1	158164926	PKDDMZRUTOBQAM-UHFFFAOYSA-N	307.256	1.903	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCC(C)(C)N1C[C@H](C)O[C@H](C)C1	158729205	JYFRNCUVNGUUMT-CWPWLXBASA-N	309.410	1.434	50	20	DDGD	
CC1=C(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)CCCO1	158885441	AVWOXKDBKYECJV-LLVKDONJSA-N	322.336	1.825	50	20	DDGD	
C[C@H]1OCCN(C(=O)NNC(=O)c2cc3ccccc3o2)[C@@H]1C	151271385	FBIYJOJZSCEIRI-GHMZBOCLSA-N	317.345	1.896	50	20	DDGD	
CC(C)OC1CCC(NC(=O)NNC(=O)c2ccc[nH]2)CC1	152097085	AAZLDVBMMAMFJT-UHFFFAOYSA-N	308.382	1.695	50	20	DDGD	
C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(B(O)O)cc1	584941380	ISZUNDYLIINOFF-AWEZNQCLSA-N	323.201	1.807	50	20	DDGD	
O=C1CCCN1[C@@H]1CCCN(CCI)C1	759362171	YOSJMXXWSAIIQL-SNVBAGLBSA-N	322.190	1.508	50	20	DDGD	
CCc1ccc(CNC(=O)NNC(=O)Cc2cccnc2)s1	103510104	QRACCVYHVAJCIY-UHFFFAOYSA-N	318.402	1.779	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNC(=O)CCc1ccccc1O	106286421	IBJCGRYDFVFPFY-CQSZACIVSA-N	319.405	1.347	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccccn2)c2c(C)nn(C)c2n1	24261583	NVKJCKPNOYNELO-UHFFFAOYSA-N	324.344	1.055	50	20	DDGD	
Cc1cc(-n2cncn2)ccc1C(=O)NNC(=O)c1ccncc1	172911046	MUEPGUNMMHHTRE-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
CC(C)[C@@H](c1ccccc1)N(C)CC(=O)NNC(=O)C1CC1	112982119	CYAMVJSVTDVOSF-INIZCTEOSA-N	303.406	1.873	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)nc(C)n1	172373411	CWGSHMUWIKEZDZ-MEBBXXQBSA-N	314.345	1.765	50	20	DDGD	
O=C(CCOc1ccc(F)cc1)NNC(=O)Cc1ccncc1	175783006	YTHIDDOILHTEFR-UHFFFAOYSA-N	317.320	1.380	50	20	DDGD	
CN(C)[C@H]1CCC[C@@H](NC(=O)NNC(=O)c2ccccc2O)C1	176575907	UVCREMJRQRJBBC-NEPJUHHUSA-N	320.393	1.209	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)NCC2CC2)cc1C	65192300	MHJSBBOYHYKUKB-UHFFFAOYSA-N	305.378	1.813	50	20	DDGD	
Cc1ccc(C#N)cc1S(=O)(=O)NNC(=O)c1ccccc1	114673186	LWZSEPPOPKDUQP-UHFFFAOYSA-N	315.354	1.490	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cc(Cl)ccn1	67436096	VRNGQVSPKZCSBX-UHFFFAOYSA-N	305.721	1.818	50	20	DDGD	
COc1ccc([C@@H](C)CC(=O)NNC(=O)c2cnn(C)c2)cc1	176629240	PBPOKWYFMXSGTJ-NSHDSACASA-N	316.361	1.384	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)c2cnns2)o1	67688218	RNQQSKZYDWZMOJ-UHFFFAOYSA-N	323.378	1.048	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cccnc1C(F)(F)F	179904413	WOPSIUVCCKJWQA-UHFFFAOYSA-N	312.251	1.514	50	20	DDGD	
O=C(CN1CCCCCCC1=O)NNc1ccncc1Cl	176917439	UEIWHYMVFYXHJJ-UHFFFAOYSA-N	310.785	1.971	50	20	DDGD	
Cc1cccc(C)c1C(=O)NNC(=O)Cc1cn2ccccc2n1	173899358	LXVLVKDPYJZCIW-UHFFFAOYSA-N	322.368	1.955	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H]2CCOC2)cc1	69318296	JENSOCIVKFCKAL-NWDGAFQWSA-N	322.361	1.037	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1ccc(-n2cnnc2)cc1	171298774	MLPCQSULCNNNMD-UHFFFAOYSA-N	313.361	1.609	50	20	DDGD	
COc1cccc(NNC(=O)Cn2c(=O)oc3ccccc32)n1	180726728	OLTYMNZLYORCRP-UHFFFAOYSA-N	314.301	1.141	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2cnn(C)c2)ccc1F	187058260	WMCXNDPFLMVUGO-UHFFFAOYSA-N	307.285	1.034	50	20	DDGD	
O=C(NCCc1cccc(O)c1)NNc1nc2ccccn2n1	188345562	JCTJEKFJEYVHRW-UHFFFAOYSA-N	312.333	1.304	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1ccc(-c2ncon2)cc1	185214094	KHGBKOYMMCAOKU-UHFFFAOYSA-N	323.312	1.818	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)N[C@H]1CCCOCC1	181825151	IRRVAIXFGSUUGS-AWEZNQCLSA-N	305.378	1.519	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)c1ccc[nH]1)N(C)c1ccccc1	126942850	BYELLNCSAFVCKA-GFCCVEGCSA-N	315.377	1.484	50	20	DDGD	
CC(C)[C@H]1CCC[C@H](NC(=O)NNC(=O)C(=O)NC2CC2)CC1	187442352	LEEZUPCQAIQBML-RYUDHWBXSA-N	324.425	1.200	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNC(=O)N[C@H]1CC=CCC1	77642760	ZCYUXMINVCORIF-ZDUSSCGKSA-N	314.345	1.376	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNC(=O)COc1cc(C)ccc1C	182637419	XIHYZWMASZUWAI-CQSZACIVSA-N	322.405	1.892	50	20	DDGD	
CCc1ccccc1CC(=O)NNC(=O)Cn1nc(C)cc1C	188221297	VAXNWEKAZNEUEV-UHFFFAOYSA-N	314.389	1.452	50	20	DDGD	
CCCSCC(=O)NNC(=O)[C@H]1COc2ccccc2O1	48381577	ITPXYPVWZAEIAK-GFCCVEGCSA-N	310.375	1.117	50	20	DDGD	
Cc1noc(-c2ccc(C(=O)NNC(=O)C(C)(C)C)cc2)n1	77220172	HQEQZEKNHLFEOE-UHFFFAOYSA-N	302.334	1.852	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CCCOCC2)cc(C#N)n1C	182132591	GYHNMBVPXQMFPB-UJMHRVFCSA-N	312.373	1.797	50	20	DDGD	
COC(=O)NNC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1	47586106	BXMMMTSUJOGWSO-UHFFFAOYSA-N	308.338	1.607	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(-c2ccccc2)no1	131994151	QDHLBEGHGCTWNN-UHFFFAOYSA-N	311.301	1.897	50	20	DDGD	
C[C@H]1CCN(C(=O)NNC(=O)c2ccc(C#N)cc2)CCS1	192241943	NVDSANILZNFRBD-NSHDSACASA-N	318.402	1.740	50	20	DDGD	
COc1ccccc1CCNC(=O)NNc1nc(C)cc(C)n1	43294362	LTUCCQJPQIAWRV-UHFFFAOYSA-N	315.377	1.971	50	20	DDGD	
O=C(Cc1ccc(F)c(F)c1)NNc1nc2ccccn2n1	191917694	BOTCEUOHQCUBFN-UHFFFAOYSA-N	303.272	1.693	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCC1CCC1	47053341	GHRMFARHCYGMDO-JTQLQIEISA-N	309.341	1.724	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)Cc2ccccc2F)cc1O	89440899	ROWBJLPWXVQCFW-UHFFFAOYSA-N	316.332	1.772	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc2c(OC(F)F)cccc2[nH]1	194924019	IOFCWYWJHCOIKG-UHFFFAOYSA-N	312.276	1.685	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1coc(C2CCC2)n1	194565179	KPXZIOFNKCGSQE-UHFFFAOYSA-N	300.318	1.341	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)Cc1cnn(C)c1	194780273	XSKRWXQUGOODJO-UHFFFAOYSA-N	322.752	1.086	50	20	DDGD	
Cc1ccc(CC(=O)NNc2cc(C#N)cc(Cl)n2)cn1	93542850	WZJHHTNBQXODAH-UHFFFAOYSA-N	301.737	1.996	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)CN1Cc2ccccc2C1=O	264386905	MSRHRVHISASNOI-UHFFFAOYSA-N	303.362	1.226	50	20	DDGD	
COCCn1nc(C(=O)NNc2cc(C)cc(C)c2)ccc1=O	264885335	ZCLBHLAWNWSZEY-UHFFFAOYSA-N	316.361	1.263	50	20	DDGD	
COc1ccccc1O[C@@H](C)CNC(=O)NNc1cccnn1	266538814	KHBPWYSLCCYDFC-NSHDSACASA-N	317.349	1.579	50	20	DDGD	
CC(C)n1ccc(C(=O)NNC(=O)c2cccc(N(C)C)c2)n1	264889974	LAFIRLIVHCPGCA-UHFFFAOYSA-N	315.377	1.605	50	20	DDGD	
O=C(NNc1ccccc1F)c1ccnc(N2CCCC2)n1	269572265	BSDUEZLWQNDJLI-UHFFFAOYSA-N	301.325	1.973	50	20	DDGD	
COc1ccccc1O[C@H](C)CNC(=O)NNC(=O)C(C)(C)C	266775518	QNOOUKVZEJDNEJ-LLVKDONJSA-N	323.393	1.839	50	20	DDGD	
O=C(CN1[C@H]2CCC[C@H]1CC2)NNC(=O)c1ccc(F)cc1	366671490	PRUNELSNXABAMP-KBPBESRZSA-N	305.353	1.604	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H](C)n1cccn1)c1ccccc1	264727703	WGWNQAIVEWPRNK-JSGCOSHPSA-N	300.362	1.785	50	20	DDGD	
Cc1cccnc1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C(C)(C)C	277400947	KOZYFDYLWJALSP-RYUDHWBXSA-N	320.393	1.994	50	20	DDGD	
C[C@H]1C[C@@H](CCNC(=O)NNC(=O)c2ccccc2)CCO1	273338359	NGZAPNXROJNCFJ-STQMWFEESA-N	305.378	1.836	50	20	DDGD	
O=C(NNc1ncccc1Cl)[C@@H]1CCCCS1(=O)=O	274964793	RYGPYJSFGRGUDQ-VIFPVBQESA-N	303.771	1.145	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1ccc(C(F)(F)F)cc1	271365990	OJEJBXUSXSKIBX-UHFFFAOYSA-N	303.284	1.940	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	274494943	KTSYDSAMBYSYCQ-DTWKUNHWSA-N	315.295	1.900	50	20	DDGD	
CCNC(=O)N(C)NC(=O)COc1ccccc1C(F)(F)F	272682118	NYPSKSCUHDUYGG-UHFFFAOYSA-N	319.283	1.777	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(F)c(OC)c(F)c1	274448237	UGLYSFOJZYDYGI-UHFFFAOYSA-N	302.281	1.671	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1C1CC1)c1c[nH]c2ccccc12	279658399	CTSKBKFGCKCEIZ-OAHLLOKOSA-N	312.373	1.556	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2cccc(S(C)(=O)=O)c2)CCO1	272033920	POKZPGVKPFCCDB-QWRGUYRKSA-N	312.391	1.348	50	20	DDGD	
CCN1C[C@H](C(=O)NNc2cccc(F)c2[N+](=O)[O-])CC1=O	279232125	GLHXWWDHPMCKOF-MRVPVSSYSA-N	310.285	1.045	50	20	DDGD	
Cn1nncc1CNC(=O)NNc1ccc(C(C)(C)C)cc1	288786714	HVWBBIOOBOQULM-UHFFFAOYSA-N	302.382	1.939	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1sc(C)nc1C	285323720	RPWGLOHYMYVEPK-UHFFFAOYSA-N	305.450	1.826	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CCOC[C@H](C)C2)cc(C#N)n1C	371322304	FIZILZULTYGDKD-FVTUNSQFSA-N	312.373	1.607	50	20	DDGD	
O=C(NCCc1cn2c(n1)SCC2)NNc1cccc(F)n1	286601457	BAQUCJNJFRFFSY-UHFFFAOYSA-N	322.369	1.392	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C[C@H]2CCC(=O)[C@@H]2C)cc1	280061444	SWKUXNQXMHNVEN-CHWSQXEVSA-N	317.389	1.560	50	20	DDGD	
Cc1cc[nH]c1C(=O)NNc1nnc(-c2ccccn2)s1	373866768	NHBFGYRURQYNPX-UHFFFAOYSA-N	300.347	1.994	50	20	DDGD	
O=C(NNc1ccccn1)N[C@@H]1CCCC[C@H]1N1CCOCC1	370558155	NTJHAPDZAFGQCJ-ZIAGYGMSSA-N	319.409	1.351	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)c1c[nH]c2ccccc12	285003042	IEAPBPZFDXGUTL-GHMZBOCLSA-N	315.329	1.128	50	20	DDGD	
Cc1cccc(CCNC(=O)NNC(=O)c2ccc(C)o2)n1	281501102	IDUIGHALDZHKGC-UHFFFAOYSA-N	302.334	1.478	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCSCc1ccccn1	281087671	GQSGFPAIKSSWPE-UHFFFAOYSA-N	310.448	1.386	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc(F)c(C#N)c1	285786604	KNTYBZKXCTYNGI-UHFFFAOYSA-N	312.395	1.169	50	20	DDGD	
C[C@@H]1COCC[C@H]1CNC(=O)NNC(=O)Cc1ccc(F)cc1	286655874	AGXUWPUEVSCAIO-YPMHNXCESA-N	323.368	1.371	50	20	DDGD	
O=C(NNS(=O)(=O)C1=CCCCC1)c1ccc(Cl)nc1	294907793	BCFGYQZUOXQEHU-UHFFFAOYSA-N	315.782	1.757	50	20	DDGD	
CCN(CCNC(=O)NNc1ccncn1)c1cccc(C)c1	297349369	DBRWGUXUYBNBGM-UHFFFAOYSA-N	314.393	1.938	50	20	DDGD	
CNC(=O)Oc1cccc(NC(=O)NNC(=O)CC(C)C)c1	297088555	OPMHZERFWCWPDI-UHFFFAOYSA-N	308.338	1.604	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCc1nc2ccccc2[nH]1	298651579	XWYHEWIJSWWJMG-UHFFFAOYSA-N	303.366	1.482	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNc1cccc(Cl)n1	293716363	PATJVMAAMHLFAX-JTQLQIEISA-N	310.785	1.969	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@H]1CCN2CCCC[C@@H]12	298752756	RVXZVEMYFXZSOU-KBPBESRZSA-N	302.378	1.257	50	20	DDGD	
O=C(CCCOCc1ccccc1)NNC(=O)[C@@H]1CCCCO1	295587752	OWSZIRKOYNRFKV-HNNXBMFYSA-N	320.389	1.700	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CCc1nc(-c2ccco2)no1	298189405	NISJFYNPSCPQLW-UHFFFAOYSA-N	306.322	1.456	50	20	DDGD	
COC(=O)c1[nH]c(C)c(C(=O)NNc2cccc(F)n2)c1C	804767117	XBZYODFNQKBTCB-UHFFFAOYSA-N	306.297	1.709	50	20	DDGD	
CCc1noc(NC(=O)NNC(=O)Cc2ccccc2OC)n1	296902633	WGPKATYRFFFOJV-UHFFFAOYSA-N	319.321	1.036	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)/C=C/c2ccc(Cl)nc2)O1	294397330	XIMIGKKMBVLJQD-VHHUFXSCSA-N	309.753	1.463	50	20	DDGD	
CCOC1(CNC(=O)NNc2nc(C)cc(OC)n2)CCCC1	297639143	CWYVMFJHUORGAP-UHFFFAOYSA-N	323.397	1.769	50	20	DDGD	
Cc1cccc(S(=O)(=O)NNC(=O)[C@H]2CCCCO2)c1F	294949035	AOWSMSBDSKRQGA-SNVBAGLBSA-N	316.354	1.013	50	20	DDGD	
COCCOCC(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	297073440	WZYCUJFNJSIUAN-UHFFFAOYSA-N	303.702	1.354	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1	294111795	JTHAUYSFYYMFAO-GFCCVEGCSA-N	317.172	1.974	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)n[nH]1	295778455	RJPPXXDLWVGIPR-UHFFFAOYSA-N	316.405	1.624	50	20	DDGD	
O=C(C[C@H]1CCCCO1)NNC(=O)Nc1ccc2c(c1)OCO2	802105727	CPHDCANBOFUWGY-LLVKDONJSA-N	321.333	1.527	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNC(=O)OC(C)(C)C)nc1C	298576374	IPLKFUJUNIROMO-UHFFFAOYSA-N	323.349	1.736	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	294161364	IFFYQFWAXGFGFP-USZNOCQGSA-N	308.403	1.875	50	20	DDGD	
Cn1nncc1NC(=O)NNC(=O)c1ccc2ccccc2c1	809899195	FEEDZZJGRBIZND-UHFFFAOYSA-N	310.317	1.435	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NNc1ncncc1F	817079546	UJYSAWRIQCRYFV-UHFFFAOYSA-N	307.241	1.046	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)NOC/C=C\Cl	812704628	PUSKVMQSSDIDHX-BHQIHCQQSA-N	317.704	1.219	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1nnc2ccccc2n1	810528212	OUXOHAUSRXGGIC-UHFFFAOYSA-N	311.261	1.085	50	20	DDGD	
COc1ncc(C=NNC(=O)C(=O)Nc2ccc(C)cc2)s1	812225162	SYPXVZGABSBWLE-UHFFFAOYSA-N	318.358	1.549	50	20	DDGD	
Cc1nc(C)c(C=NNC(=O)COc2ccccc2O)s1	814951884	APEWYVFCJJNBPP-UHFFFAOYSA-N	305.359	1.995	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)NC)cc1Br	815100036	BPUCIVGUFWZZRE-UHFFFAOYSA-N	306.185	1.647	50	20	DDGD	
CN(NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C1CC1	819642263	DXANARPBFADXCH-UHFFFAOYSA-N	320.349	1.170	50	20	DDGD	
O=C(COc1ccc(Cl)c(Cl)c1)NNc1nc[nH]n1	816632214	YTEZKBJBAPKGFS-UHFFFAOYSA-N	302.121	1.634	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNC(=O)c1ccc(Cl)cc1F	810468118	LXFQDBNIRPFYIE-CYBMUJFWSA-N	300.717	1.567	50	20	DDGD	
O=C(NCCSCC(F)(F)F)NNc1ncncc1F	814317766	ZVOZTOVDYKPEPY-UHFFFAOYSA-N	313.280	1.537	50	20	DDGD	
CC[C@@H]1CCCN1CC(=O)NNC(=O)c1cccc(Cl)c1	727832983	GXBGUTSTFNOFGP-CYBMUJFWSA-N	309.797	1.975	50	20	DDGD	
Cc1nc(SCC(=O)NNC(=O)C(C)C)c2ccccc2n1	828349644	YEAVDYZIFREZNG-UHFFFAOYSA-N	318.402	1.834	50	20	DDGD	
COc1ccc(-c2ncc(C(=O)NN(C)[C@@H](C)CO)s2)cc1	823950334	BWHLJZUZFMJOOP-JTQLQIEISA-N	321.402	1.776	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1Cl	495271366	RNANTGPLDVITED-UHFFFAOYSA-N	306.105	1.319	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2c[nH]c3ccccc23)CO1	827606231	KYBBGVYQVPVYMK-UWVGGRQHSA-N	302.334	1.289	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)NOCC1CCC1	824022142	IWLMQWZWZDSBLR-UHFFFAOYSA-N	311.313	1.267	50	20	DDGD	
CC(C)Cn1cccc(C(=O)NNc2ncc(F)cc2F)c1=O	822244063	VMDILXSJWDUJBV-UHFFFAOYSA-N	322.315	1.934	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)OC(C)(C)C)[C@H]1CCOC1	494021968	AFOHCAHPPZQQOZ-LBPRGKRZSA-N	313.398	1.820	50	20	DDGD	
C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)NNc1ncccn1	824205681	JARLFJCKMYMJRR-JTQLQIEISA-N	324.385	1.358	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(C2OCCO2)cc1	823763657	ZWHFMBIHJBDIGS-UHFFFAOYSA-N	307.350	1.476	50	20	DDGD	
CCc1c(C(=O)NN(C)C(=O)OC)nnn1Cc1ccccc1	496234998	DOEFMZYQGXUVFU-UHFFFAOYSA-N	317.349	1.232	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNc1ncnc(Cl)c1C(C)C	495811960	WMZAMWNWXVNOMD-ZETCQYMHSA-N	315.761	1.441	50	20	DDGD	
O=C(CCC1CCCC1)N1CCN(S(=O)(=O)CCl)CC1	829902953	VOPAWHDJBSWBGZ-UHFFFAOYSA-N	322.858	1.627	50	20	DDGD	
O=C(/C=C/[C@H]1CCOC1)NN=c1nc(-c2ccccc2)[nH]o1	493018269	JZPGYATZPPHKIC-MLRMMBSGSA-N	300.318	1.194	50	20	DDGD	
COc1ccc(NNC(=O)/C(C#N)=C/c2ccc(O)cc2)nc1	490976041	QINDARRKOMQUMV-XYOKQWHBSA-N	310.313	1.846	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	821217188	FUWQXSXZWIBDHU-NSHDSACASA-N	322.365	1.152	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCC(C)(C)c1ccccn1	826891982	BXVBHFVVBGOBAX-NEPJUHHUSA-N	320.393	1.115	50	20	DDGD	
COCC1(NC(=O)/C(C#N)=C\c2ccc(O)cc2)CCOCC1	490943811	TWRYYECXKTYLKX-UVTDQMKNSA-N	316.357	1.611	50	20	DDGD	
C#C[C@H](C)NC(=O)NNC(=O)CSc1ccccc1OC	820422024	CFJBGNMCMXNXPE-JTQLQIEISA-N	307.375	1.139	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCc2c(Cl)cccc2C1	827873633	YQYHSBXYOZYBME-UHFFFAOYSA-N	309.797	1.502	50	20	DDGD	
O=C(/C=C\c1cncc(F)c1)NNC(=O)c1ccccc1F	491490292	AEOXGUOAZREYNZ-WAYWQWQTSA-N	303.268	1.834	50	20	DDGD	
CCOC(=O)CCN(C(=O)/C(C#N)=C/c1cnn(C)c1)C1CC1	822782117	OYJIDFBPKVEVIW-MDWZMJQESA-N	316.361	1.271	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H]1CCCN(c2ccccc2)C1=O	496964964	WSZAGNQFSIAAJS-LBPRGKRZSA-N	305.334	1.207	50	20	DDGD	
CCOC(=O)NNC(=O)CC1CN(C(=O)OC(C)(C)C)C1	492945668	SLDRQWZQSMHEGN-UHFFFAOYSA-N	301.343	1.021	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])c(Cl)c1	588508580	CBHYSEZWSIVUIF-UXBLZVDNSA-N	309.709	1.918	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1CC[C@H](C2CCCCC2)C1	585007800	OFXFDPLNYMGJEL-ZDUSSCGKSA-N	319.185	1.548	50	20	DDGD	
COC(=O)c1cc(NNC(=O)/C=C/[C@H]2CCOC2)ccc1F	493483233	BFLSPXXPNWKFFN-FWYAXHSGSA-N	308.309	1.648	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CSC[C@H]1C(=O)N(C)C(C)C	490756428	ZLRMRITZQSVPLW-RDQDRAATSA-N	311.407	1.199	50	20	DDGD	
CC(=O)NN=C(C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1	495012627	PZPHKKKLQRPTDC-OAHLLOKOSA-N	319.361	1.536	50	20	DDGD	
O=C1[C@H](NS(=O)(=O)CCl)CCN1c1ccccc1Cl	830451132	NPLCBDFLDCZGOS-SECBINFHSA-N	323.201	1.561	50	20	DDGD	
CCN(C[C@H](C)OC)C(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	491007369	FYPQDOWEAPFRFG-CUTJPZLCSA-N	314.389	1.996	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1ccc2c(c1)CCCO2	901153261	GMDRQHXCRPWLGR-UHFFFAOYSA-N	301.346	1.084	50	20	DDGD	
C=C[C@H](CC)CC(=O)OCC(=O)NNC(=O)c1cccs1	909529744	MTWRSEUEGNVCFY-SNVBAGLBSA-N	310.375	1.655	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccccn1)N1CCc2ccccc2C1	732257238	HGYHBEDAEORHEJ-ZDUSSCGKSA-N	324.384	1.289	50	20	DDGD	
C[C@@H]1Cc2ncn(CC(=O)NNC(=O)C(C)(C)C)c2C[C@H]1C	830918600	GEYUUEOTRLXHTN-GHMZBOCLSA-N	306.410	1.447	50	20	DDGD	
COc1cc(C)ccc1NC(=O)NNC(=O)[C@H]1CCCCO1	836323044	YSAKCWMETIFPBK-GFCCVEGCSA-N	307.350	1.725	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=Cc2cnc3n2CCOC3)c1	905421301	QAGMRCQAYYEDSF-UHFFFAOYSA-N	313.361	1.243	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=O)Nc2ccccc2)C1	908049570	IIHQTPXHPBOTDD-GXFFZTMASA-N	313.361	1.929	50	20	DDGD	
O=C(NNC(=O)C1CCC(c2ccccc2)CC1)c1ncon1	832826202	STZARSOGIPCUSI-UHFFFAOYSA-N	314.345	1.805	50	20	DDGD	
Cc1cc(C)c(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1C	730576373	DOBJDOYXDDDGEL-ZDUSSCGKSA-N	308.403	1.497	50	20	DDGD	
COc1ccccc1CC(C)(C)C(=O)NNC(=O)NC1CC1	732955376	WMUKAGCCDMZUIT-UHFFFAOYSA-N	305.378	1.757	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@@H]1CC[C@H](c2ccccc2)C1	584912274	QRRIOLDCAIWKDQ-LSDHHAIUSA-N	309.174	1.889	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2cnn3ccccc23)c1	731861860	QTUKTVYTWPRBSY-UHFFFAOYSA-N	323.356	1.475	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1cc(C(=O)OC)ccc1C(=O)O	737130327	XTAUIJCJMDHOQS-CSKARUKUSA-N	318.285	1.554	50	20	DDGD	
C[C@@H](C(=O)O)n1cccc1C=NNC(=O)c1ccc(O)cc1	833405080	CAQFAVKEIPZKBM-JTQLQIEISA-N	301.302	1.603	50	20	DDGD	
CCOC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)CCCCCl	832455277	CCRYQROSYBYKNQ-MNOVXSKESA-N	311.831	1.657	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CN[C@H](c1ccccc1)C(F)(F)F	910163910	SVKJSLQOECKEEO-GXFFZTMASA-N	319.327	1.223	50	20	DDGD	
CCCN1CCC[C@@H](C(=O)NNC(=S)N[C@@H](C)C2CC2)C1	912160530	MGLADWJUTJTMRL-WCQYABFASA-N	312.483	1.402	50	20	DDGD	
CC(C)c1ccc(CCC(=O)NNC(=O)c2ncon2)cc1	832826375	YHJDRIOXDCEBRF-UHFFFAOYSA-N	302.334	1.587	50	20	DDGD	
C[C@@H](C(=O)O)n1cccc1C=NNC(=O)Cc1cccnc1	833408926	ZUYMJRDJMXUONV-NSHDSACASA-N	300.318	1.222	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(C)c([N+](=O)[O-])c1	748260360	RNUJOFVBYLZMPY-LLVKDONJSA-N	309.322	1.405	50	20	DDGD	
C[C@@H](Cc1ccsc1)NC(=O)NNC(=O)Cc1ccncc1	747496387	WPVLUQBZBJAUJT-NSHDSACASA-N	318.402	1.647	50	20	DDGD	
CCOc1cc(C=NNC(=O)CN2CCCC2=O)ccc1OC	916359010	DSDNCDGUIUIQEJ-UHFFFAOYSA-N	319.361	1.166	50	20	DDGD	
CCC(=NNC(=O)C(N)=O)c1cc(Cl)cc(Cl)c1O	916581091	GBRDKYPYNXPHNU-UHFFFAOYSA-N	304.133	1.415	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1c(O)nnc(C)c1C	916148985	NHVKWOBFGZDPLI-UHFFFAOYSA-N	300.318	1.182	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cn2cc(Cl)ccc2n1	748258528	AOPWLAPLFVTHNS-SNVBAGLBSA-N	324.768	1.489	50	20	DDGD	
CC(C)(C)[C@@H]1CCCN(C(=O)NNC(=O)c2ncccn2)C1	841591764	FYHUOYSEEIWOSB-LLVKDONJSA-N	305.382	1.589	50	20	DDGD	
CNC(=O)c1ccc(C=NNC(=O)Cc2nc(C)cs2)cc1	912806239	HMFBJZMHPVJOSJ-UHFFFAOYSA-N	316.386	1.504	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNc1cc(O)nc2ncccc12	913990756	XAKLZFHKISAUEB-NOZJJQNGSA-N	304.350	1.840	50	20	DDGD	
COc1cccc(NCC(=O)NN=Cc2cccc(O)c2O)c1	916362882	IKSWJCKASCQFMB-UHFFFAOYSA-N	315.329	1.669	50	20	DDGD	
O=C(NN=C(CO)c1ccc(F)cc1F)c1ccc(O)cc1	749603640	KLOQRRKDSPQVIL-UHFFFAOYSA-N	306.268	1.797	50	20	DDGD	
COc1ccc(C(=O)C[C@@H](C)C(=O)NN(C)C[C@@H](C)O)cc1	910151656	HRNPTAPKWQIOPJ-VXGBXAGGSA-N	308.378	1.248	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)c1ccc2c(c1)OCO2	742473094	VLZFXZIBNMTAJU-UHFFFAOYSA-N	306.318	1.159	50	20	DDGD	
NC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)CCc1ccccc1	841951950	YEDLRBFUBZRXBX-CABCVRRESA-N	318.421	1.467	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2ccc(C(N)=O)cc2)cc1	915937349	OOWBLVUUATVCNV-UHFFFAOYSA-N	310.357	1.656	50	20	DDGD	
CCC(=NNC(=O)COc1ccc(OC)cc1)[C@@H]1CCOC1	741836427	DZGURQUMIFZHBD-GFCCVEGCSA-N	306.362	1.993	50	20	DDGD	
CO[C@@H](C)CCC(=O)NNc1ncc(Br)cn1	848322298	WLBSQLAHKREXDK-ZETCQYMHSA-N	303.160	1.497	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)C(=O)N2CCCC2)c1	748151769	NYFFXIMETXSMDM-UHFFFAOYSA-N	324.381	1.074	50	20	DDGD	
CSc1cccc(F)c1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843658857	WIROOQUFIHMCNX-DTWKUNHWSA-N	312.366	1.734	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NNc1oc(C(C)C)nc1C#N	746519447	BQWNRAKFHNQKLZ-VIFPVBQESA-N	322.369	1.340	50	20	DDGD	
CCC(=O)NN=C1C(=O)Nc2cc(OC(F)(F)F)ccc21	915048316	FYQLIUMQBVFEAH-UHFFFAOYSA-N	301.224	1.768	50	20	DDGD	
O=C(NN=Cc1cnc2cnccn12)[C@@H]1COc2ccccc2O1	746366571	PPTOEKOGRUOAHT-AWEZNQCLSA-N	323.312	1.019	50	20	DDGD	
CCNC(=O)NNC(=O)CN(C)c1nc2ccccc2s1	847390804	MPIWQIMKKPYHCM-UHFFFAOYSA-N	307.379	1.083	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H]1CCO[C@H](c2ccccc2)O1	847393786	HVDHZYKWKCWCNK-JSGCOSHPSA-N	307.350	1.231	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@H]1CCN(C)C1=O	840545153	BSJRIBPRYNXPPO-MRVPVSSYSA-N	311.773	1.175	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1ccc(CCN)cc1	841934320	XNLBRQGPGHAHKP-UHFFFAOYSA-N	306.410	1.454	50	20	DDGD	
CC(C)[C@@]1(C)C[C@@H]1NC(=O)NNc1ccc(-n2ccnc2)nn1	841590042	OREBCWGLNCCVSE-XHDPSFHLSA-N	315.381	1.723	50	20	DDGD	
CC[C@H](C)[C@@H](C)NC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	745771415	AGTGSLPYQFXUTF-DTWKUNHWSA-N	324.337	1.679	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)c1nnc(O)c2ccccc12	749757098	MALLKAIYWNBMHB-QMMMGPOBSA-N	319.390	1.243	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)[C@H]1Cc2ccccc21	742072287	CDVWTLHKIUAMDQ-ZDUSSCGKSA-N	307.313	1.915	50	20	DDGD	
O=C(NNC(=O)[C@@H]1OCCc2ccccc21)c1ccccc1F	749604832	LLAPTWHRVBVFPQ-OAHLLOKOSA-N	314.316	1.901	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@H](O)C2CCCCC2)cc1	846377693	IAGFJNIISGNVQK-MRXNPFEDSA-N	320.389	1.786	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc(C#N)ccc1C	929425926	DGVFFNUWJPEVOA-UHFFFAOYSA-N	320.418	1.354	50	20	DDGD	
C[C@@H](CCCCN)NC(=O)NNC(=O)CCCc1ccccc1	841993429	CWVOXMVYZAGTFE-AWEZNQCLSA-N	320.437	1.857	50	20	DDGD	
COCCCNC(=O)NN=C1CCOc2ccc(OC)cc21	920829271	CHRAGEQDYLYSMV-UHFFFAOYSA-N	307.350	1.518	50	20	DDGD	
CC(C)(C)O[C@@H]1C[C@H](NC(=O)NNC(=O)c2cn[nH]c2)C1(C)C	858544846	AWJJKEIPPKVESW-WDEREUQCSA-N	323.397	1.336	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C)c(C)c1)c1nccn1C	755505393	RQEOLKMVNPKVLB-UHFFFAOYSA-N	300.362	1.956	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCCn2cnnc2)cc1	854739163	ZTAMZKMKBNOKSX-ZROIWOOFSA-N	311.345	1.400	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)N[C@H]1CCN(CC(F)F)C1	922926094	ZCVAETCHOOGKBU-VIFPVBQESA-N	320.290	1.930	50	20	DDGD	
CC(=O)NNC(=O)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C	858108844	HXNKVRATOQWVBM-LLVKDONJSA-N	301.387	1.483	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C(C)C)N1C[C@@H](C)O[C@H](C)C1	921202958	MREFISMOAZGSOO-NFAWXSAZSA-N	313.442	1.314	50	20	DDGD	
O=C(NN=C1CCN(CC(F)(F)F)CC1)c1cccc(F)n1	853442374	OYRQQBKIDDHUTP-UHFFFAOYSA-N	318.274	1.965	50	20	DDGD	
CC[C@H](CN1CCOCC1)NC(=O)NNc1c(C)cccc1F	925595612	PIAYEDSGZXIHON-CYBMUJFWSA-N	324.400	1.871	50	20	DDGD	
Cc1cnc2nc(C(=O)NC[C@]3(C)C[C@@H]3Br)nn2c1	857408397	VVNIUXKOSLYPAC-UFBFGSQYSA-N	324.182	1.336	50	20	DDGD	
CCCNC(=O)NN=Cc1ccc(N2CCC(O)CC2)cc1	853295930	VTPMWLRJVDJCAE-UHFFFAOYSA-N	304.394	1.691	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@@H]1CCN(C(C)C)C1=O	853739797	PJYGHHYPLUCMLW-GFCCVEGCSA-N	308.357	1.770	50	20	DDGD	
O=C1C[C@H](C(=O)NNC(=O)c2ccccc2)[C@@H]2CCCC[C@H]2N1	854138369	ICYLUYLFSORKJC-MELADBBJSA-N	315.373	1.143	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cc([N+](=O)[O-])ccc1N)C1CC1	855098580	FPBRGZRRNHCMIW-SSDOTTSWSA-N	323.378	1.084	50	20	DDGD	
Cc1cccc(C2(C(=O)NNC(=O)c3cc[nH]n3)CCCC2)c1	855358408	JDJHXMYLRDAMRA-UHFFFAOYSA-N	312.373	1.991	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)c3ncc[nH]3)cc2C1	854241150	QFAXHRVFFXSHQQ-MRVPVSSYSA-N	304.375	1.671	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2[nH]c(C)nc2C)c1	856727841	FUVYCZBBYYFNBD-UHFFFAOYSA-N	318.333	1.119	50	20	DDGD	
Cn1cc(CC(=O)NNC(=O)c2ccc3ccccc3c2)cn1	751344063	OMVARCLKHXSXBF-UHFFFAOYSA-N	308.341	1.577	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1ccc(OCCOC)cc1	757877294	MZRDPMFFXZLSER-UHFFFAOYSA-N	323.393	1.385	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H](C(=O)OC(C)(C)C)C1CCCC1	854214303	VZGVDMIKIDJTKE-LBPRGKRZSA-N	312.410	1.938	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=S)N[C@@H](C)C2CC2)c1C	855098118	DPLDNLPKETYCRH-JTQLQIEISA-N	323.466	1.899	50	20	DDGD	
CCn1nc(C)c(CNC(=O)NNc2ccc(C)c(F)c2)n1	854188275	TVKHODKJNMPDMW-UHFFFAOYSA-N	306.345	1.880	50	20	DDGD	
CN(NC(=O)N[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1	753916701	XEQXYISYHNMFSQ-NSHDSACASA-N	316.327	1.974	50	20	DDGD	
CCSC1(CNC(=O)NNC(=O)c2cccc(C)n2)CC1	852293204	KMUYPDWRTIFJBO-UHFFFAOYSA-N	308.407	1.620	50	20	DDGD	
CCC[C@@H]1CCCC[C@@H]1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1	858525536	YQFSVYUBAJNUGL-JHJVBQTASA-N	324.425	1.202	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cnn(-c3cccnc3)c2)n1	759620630	BAVYOGTZEZYJID-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNC(=S)N[C@@H](C)C1CC1	855099018	PWAFMYNEOGCOLC-IUCAKERBSA-N	323.466	1.814	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cccc([N+](=O)[O-])c1N)C1CC1	855098391	GZLRFIHTBKXTNJ-ZETCQYMHSA-N	323.378	1.084	50	20	DDGD	
CC[C@@H](C)C=NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1	755551109	IRRSHOAKFCSOFM-MRVPVSSYSA-N	317.798	1.749	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C[C@H](C)SC)c1	756864682	XIWYKJVXVURWCD-VIFPVBQESA-N	312.391	1.606	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc(OCc2ccccc2)nc1	751363919	YEBQKKNDXBPMDP-UHFFFAOYSA-N	300.318	1.234	50	20	DDGD	
O=C(NNC(=S)NCc1ccon1)c1c[nH]c2ccccc12	764438829	OEIBAYFSFMVUOB-UHFFFAOYSA-N	315.358	1.465	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)/C=C/[C@H]1CCOC1	862289067	LQCLBLOWGOHWPU-NPQIQWPPSA-N	304.346	1.879	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)CCCCO	867853176	LXNSYPYBKYUVIK-SNVBAGLBSA-N	314.769	1.417	50	20	DDGD	
COc1ccc(C=NNC(=O)CNC(=O)c2cccs2)s1	763169052	NUQFMELHBVCULJ-UHFFFAOYSA-N	323.399	1.698	50	20	DDGD	
C[C@@H]1C(=NNC(=O)[C@@H]2CCC(=O)N2)CCN1Cc1ccccc1	863149619	DHGGTJCHJCEIPA-DOMZBBRYSA-N	314.389	1.032	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)C2CSC2)c1	868122120	QHINGYPLWDAITH-UHFFFAOYSA-N	315.782	1.864	50	20	DDGD	
O=C(/C=C\CN1CCOCC1)NNc1nccnc1C1CCC1	868340531	XOQYAENUGLKADL-DJWKRKHSSA-N	317.393	1.076	50	20	DDGD	
C[C@@]1(CCNC(=O)c2cccc(B(O)O)c2)CC1(Cl)Cl	863885789	OUPWWMDEEKFYIY-GFCCVEGCSA-N	315.993	1.070	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H](O)[C@H](C)c2ccccc2F)n1	864688861	AQJCIBSXMCNFRM-RISCZKNCSA-N	318.352	1.840	50	20	DDGD	
C[C@H](NNC(=O)c1cc(Br)c[nH]1)C(F)(F)F	862305196	KKWUFKXNOBATKR-BYPYZUCNSA-N	300.078	1.962	50	20	DDGD	
Cn1ccnc1-c1cccc(NCc2ccccc2B(O)O)c1	864025422	HNNNQCYJXOJEBK-UHFFFAOYSA-N	307.162	1.379	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNC(=O)CC)cc1Cl	763438334	RCIJCJWHUPCFHE-UHFFFAOYSA-N	313.741	1.235	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(O)cc(Br)c1	860668281	OXYLNCRSNUGRSL-UHFFFAOYSA-N	316.155	1.461	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)COC2CCOCC2)c1	768704413	PXTUPYFEBULEQG-UHFFFAOYSA-N	310.741	1.245	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNc2ncc(F)cn2)c(C)c1	1116648043	PYYHUYDNTFJULX-UHFFFAOYSA-N	319.296	1.859	50	20	DDGD	
CCON(CC)CC(=O)NNC(=O)c1cc(C)c(CC)s1	879797863	ZQGWIZDPJKLDRG-UHFFFAOYSA-N	313.423	1.653	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCCCCC1)c1cn(C)cn1	872336768	LNEFUXBFBSXVKD-ZDUSSCGKSA-N	305.426	1.772	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNC(=S)Nc1ccc(C)c(C)c1	873762447	RDSGBKDGHYRWMD-ZDUSSCGKSA-N	322.434	1.536	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)[C@@]1(F)CCOC1	1117396075	FHLFFJNANNHQNJ-LLVKDONJSA-N	303.677	1.820	50	20	DDGD	
Cc1ncnc(O)c1CCC(=O)NNc1ccc(Cl)nn1	1116096414	NYOLIHPDWAOGJQ-UHFFFAOYSA-N	308.729	1.010	50	20	DDGD	
COc1ccccc1-c1nc(C(=O)NN(C)C(N)=O)cs1	778415978	XAWFEANDIIGOAH-UHFFFAOYSA-N	306.347	1.474	50	20	DDGD	
O=C(CCO)NN=Cc1cc(Br)c(Cl)s1	1116744695	UVJJQTWRADGWFL-UHFFFAOYSA-N	311.588	1.997	50	20	DDGD	
Cn1nc2ccccc2c1C(=O)NNc1nncc(N)c1Cl	1116642740	ZVMQYTVHZQZGKB-UHFFFAOYSA-N	317.740	1.356	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1ccc(C)nc1O	773624762	DSCVSOKLCALXEX-UHFFFAOYSA-N	319.292	1.778	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC[C@@H]1CC(C)=NO1)c1ccccc1	875973657	HSQLYWVHZCTCGO-KBPBESRZSA-N	318.377	1.675	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1c(C)nc2sccn12	1115925741	VGWIFFWJHFAGLN-UHFFFAOYSA-N	319.390	1.167	50	20	DDGD	
CC(C)(CNC(=O)NNc1cc(Cl)ccn1)S(C)(=O)=O	778687045	OEBLTYRHBOKYOC-UHFFFAOYSA-N	320.802	1.184	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](CC)Cc1ccccc1	772116118	RIKYXMCPLLTZKL-OCCSQVGLSA-N	320.389	1.744	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCCCOc1ccc(F)cc1	875027788	HJNFCISYUVOBCL-UHFFFAOYSA-N	313.329	1.897	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)C2(C)CC(F)(F)C2)c1	873823980	OTQKHEITRUZIDR-UHFFFAOYSA-N	311.332	1.949	50	20	DDGD	
COC[C@@H](Cc1ccccc1)NC(=O)NN=c1cc[nH]c(C)c1	875335558	GKGZRXDQEZIYGB-MRXNPFEDSA-N	314.389	1.696	50	20	DDGD	
COC(=O)[C@H](C)n1cccc1C=NNC(=O)c1cc(C)[nH]n1	774586685	PVHXMTDORLZGLD-JTQLQIEISA-N	303.322	1.018	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCN2C2CCCC2)cc1	1119007187	CKCGMOFXNOYBJI-HNNXBMFYSA-N	317.389	1.473	50	20	DDGD	
Cn1nncc1NNC(=O)C1(Cc2cccc(Cl)c2)CC1	880123594	TZMLXJZAHAPHHG-UHFFFAOYSA-N	305.769	1.935	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccn(C(F)F)n2)cc1	775642867	IVKUKWITLRRBNX-UHFFFAOYSA-N	308.288	1.915	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)c2cccnc2)ccc1Cl	777789614	BMTWKWWEWLRIQJ-UHFFFAOYSA-N	300.705	1.681	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cc(F)cc2cccnc12	883067512	KXLYCGMIVJYHFM-UHFFFAOYSA-N	317.320	1.562	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1c[nH]c2cc(F)ccc12	887143154	NOGMSLCWAYODJU-UHFFFAOYSA-N	301.321	1.800	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(C)[C@H](C)c1cccnc1	772258534	VYHUSGNNPFCAEK-OLZOCXBDSA-N	306.410	1.656	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)N[C@@H]1C[C@@H]1Cc1ccccc1	883493627	PJXAWKVOEAZUPS-GXTWGEPZSA-N	311.345	1.052	50	20	DDGD	
CC(C)OC(=O)C[C@@H](NS(=O)(=O)CCCCl)C(C)C	882336743	RJTDFGACNDNZTM-LLVKDONJSA-N	313.847	1.901	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cn(C)nc1C(F)F	780738314	JXEXIBSIMDPDPI-UHFFFAOYSA-N	324.287	1.901	50	20	DDGD	
CC[C@H](C)NC(=O)CCNS(=O)(=O)CC(C)(C)CCl	885378741	IPYCFEHMLKNZMB-JTQLQIEISA-N	312.863	1.476	50	20	DDGD	
Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)C(C)(C)O	785462706	LANFMRUAUOTODW-UHFFFAOYSA-N	300.362	1.710	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccnn1-c1ccc(F)cc1	880698855	NSKUVQUZDWNFBX-UHFFFAOYSA-N	317.324	1.964	50	20	DDGD	
CCc1csc(CC(=O)NNC(=S)NC(C)(C)C)n1	899995713	BMJSZFKEFVVSAM-UHFFFAOYSA-N	300.453	1.542	50	20	DDGD	
CCn1cc(C(=O)C(=O)NNc2ccccc2C(=O)OC)cn1	780730980	SZVYVOHBVWDRPC-UHFFFAOYSA-N	316.317	1.016	50	20	DDGD	
COCC[C@@H](NC(=O)NNC(=O)C1CCCC1)c1ccco1	780888572	LOLQXUSSCXZEAI-GFCCVEGCSA-N	309.366	1.878	50	20	DDGD	
CNC(=O)C1(NC(=O)/C(C#N)=C/c2ccc(O)cc2)CCCC1	787288809	CUFYMKHEYZGREX-JLHYYAGUSA-N	313.357	1.474	50	20	DDGD	
COc1ccc(CC(=O)NNc2ncncc2Cl)cc1OC	781832920	CVDHJXOSECGKRW-UHFFFAOYSA-N	322.752	1.833	50	20	DDGD	
CCOc1nccc(C)c1C(=O)NNC(=O)NCC(F)(F)F	798316812	WEUDLDBNGHMYAS-UHFFFAOYSA-N	320.271	1.295	50	20	DDGD	
COc1ccccc1C1(C(=O)NNc2nc3ccccn3n2)CC1	791242065	CNQQGHLNRWBFJH-UHFFFAOYSA-N	323.356	1.913	50	20	DDGD	
Cc1ccccc1C(=O)NNS(=O)(=O)c1ccc(C#N)s1	797814852	DUAYCUDICJTDKE-UHFFFAOYSA-N	321.383	1.552	50	20	DDGD	
C[C@@H](NS(=O)(=O)c1ccc(CCl)cc1)C(=O)N(C)C	388852008	ZEQRFZWYXMTJLY-SECBINFHSA-N	304.799	1.180	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCC(=O)c2ccccc2)n1	794089802	JYTUKBBIDYSGMZ-UHFFFAOYSA-N	311.341	1.814	50	20	DDGD	
CNc1ccc(C(=O)NNc2nc3ccccc3c(=O)n2C)cn1	796441448	OKTWOAAGNYZGSM-UHFFFAOYSA-N	324.344	1.127	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2c[nH]nc2C)c(C)cc1C	797677101	NVPQJHSWFRSNEC-UHFFFAOYSA-N	317.349	1.810	50	20	DDGD	
N#CC[C@@H](CC(=O)NNC(=O)Cc1cccnc1)c1ccccc1	793425835	OFYFQZMGHSNLLH-INIZCTEOSA-N	322.368	1.859	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)c1cc(-c2ccccc2)on1)C1CC1	792033103	IKRLHEPKHOGTTM-AWEZNQCLSA-N	315.329	1.528	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)Cn1ccc2ccccc21	793438970	HPXQAUYHNSDUSN-LRDDRELGSA-N	317.389	1.850	50	20	DDGD	
CC(=NNC(=O)c1c[nH]nc1C)c1ccc(N)c([N+](=O)[O-])c1	799109403	DZKPSTPDRRAKGO-UHFFFAOYSA-N	302.294	1.363	50	20	DDGD	
COc1nc(Cl)c(/C=C(/C#N)C(=O)N=c2cc[nH]cc2)n1C	1319794154	TZBBQCLPGSZVEN-CLFYSBASSA-N	317.736	1.445	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C(C)(C)Oc1ccc(C#N)cc1	1319740130	KCJPWWPOIXBMRT-UHFFFAOYSA-N	320.418	1.619	50	20	DDGD	
CC(C)n1nccc1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1319742802	ZEEDIWFJXNKKGE-UHFFFAOYSA-N	316.365	1.141	50	20	DDGD	
CC(=O)N(c1nc(/C=C(/C#N)C(N)=C(C#N)C#N)cs1)C1CC1	1318861023	AOTYCWLGDCICNB-WMZJFQQLSA-N	324.369	1.825	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1	1324487848	KWPAUHZXLRSKKJ-GMTAPVOTSA-N	303.497	1.917	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)N[C@@H]1C=CCCC1	1322643592	RSDNWIKLOBCQJE-LLVKDONJSA-N	309.391	1.825	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@](C)(O)c1ccc(Cl)cc1	1324459293	HGUPBMMJNCYBLV-ZDUSSCGKSA-N	315.826	1.451	50	20	DDGD	
Cn1ccnc1CNC(=O)NNC(=O)c1ccccc1Cl	1326363194	XTFSWOIJORARCX-UHFFFAOYSA-N	307.741	1.218	50	20	DDGD	
COc1ccc(-c2nc(C=NNC(=O)CCO)cs2)cc1	1330902688	LVRUKQGMQXBGMH-UHFFFAOYSA-N	305.359	1.651	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NC[C@H]2C[C@H]3C=C[C@H]2C3)cc1	1335581266	KNQHOEQCAXEAGS-AEGPPILISA-N	310.357	1.714	50	20	DDGD	
Cn1ccc(NNC(=O)c2c(C(F)F)nc3n2CCCC3)n1	1336816658	JGGVXELBWVRZEB-UHFFFAOYSA-N	310.308	1.647	50	20	DDGD	
CSC1(C(=O)NNC(=O)c2cncn2-c2ccccc2)CC1	1338890371	BFUJPXVPLKLVDU-UHFFFAOYSA-N	316.386	1.529	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@]1(C)CCOc2ccccc21	1333770855	PDGIQZGSFVRFRZ-OAHLLOKOSA-N	307.419	1.631	50	20	DDGD	
COc1ccc2c(c1)CC[C@H](C(=O)NNc1ccn(C)n1)C2	1336816664	JHBCFZGSDUNZHS-ZDUSSCGKSA-N	300.362	1.677	50	20	DDGD	
CC(=O)NNC(=O)c1ccn(-c2ccccc2C(F)(F)F)n1	1330505145	RIGORVJCUGZNHN-UHFFFAOYSA-N	312.251	1.672	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@@H]2C[C@H]3C=C[C@H]2C3)cc1	1333893217	XSCBRDKBBYLLPI-UBHSHLNASA-N	315.373	1.851	50	20	DDGD	
O=C(NCCOC1CCSCC1)NNc1ncncc1F	1341192128	PGLCSVJUOZRCCU-UHFFFAOYSA-N	315.374	1.154	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1cnn(-c2cccnc2)c1	1605821189	WETGGCCJPUFPIN-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2cc(C(=O)O)cs2)cn1	1600947064	QGMVUUFCYMKTBL-MBXJOHMKSA-N	302.315	1.725	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@@H](C(=O)O)c2cccs2)cn1	1600947837	VZUSELQSFMBUEX-DUWGPSABSA-N	316.342	1.331	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2cc(C(=O)O)no2)cc1	1600467993	QIMSTIBORMYQGH-UHFFFAOYSA-N	303.274	1.210	50	20	DDGD	
O=C(O)c1cc(OC(=O)C23CCCN2CCC3)ccc1[N+](=O)[O-]	1602287964	SFIJDKGDGWUWRG-UHFFFAOYSA-N	320.301	1.827	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCOC[C@H]1CC(=O)O	1601044942	FJUWMLNNMFKSML-FFXRNRBCSA-N	316.313	1.001	50	20	DDGD	
C=C(CBr)COC(=O)c1ccc(C(=O)O)cn1	1602711970	DDBNWGXDYGEWBA-UHFFFAOYSA-N	300.108	1.888	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccc(-n3cncn3)cc2)nc1	1602383405	IXFUYMKWXXCOSR-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C1CC1	1610619093	QAMBHNGFXFTGNN-VDBIKXPHSA-N	300.314	1.669	50	20	DDGD	
CO[C@H](C=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)C1CCCC1	1549314505	LOBUULDOTBGHDV-RRFJBIMHSA-N	309.410	1.157	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@@H](N)CCCC#N)cc1	1579735671	YUSBCWXZSDANKI-ZDUSSCGKSA-N	320.418	1.256	50	20	DDGD	
CC1(C)CCN[C@H]1C(=O)NNc1cc(Br)ncn1	1576442951	MNVQLQRYGJSLGH-VIFPVBQESA-N	314.187	1.070	50	20	DDGD	
O=C(O)CC[C@H]1C[C@@H](C(=O)NNc2cccc([N+](=O)[O-])c2)CO1	1574685519	DRIDTLMNPBOGFA-SKDRFNHKSA-N	323.305	1.308	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@]23C[C@H]2CCCN3)ccc1F	1578860344	NQBWSVQDDKCWQK-PSLIRLAXSA-N	307.325	1.198	50	20	DDGD	
Cc1cccc2sc(NNC(=O)c3c(N)cnn3C)nc12	1579784289	CAKHMFKBXHBGMX-UHFFFAOYSA-N	302.363	1.677	50	20	DDGD	
Cc1ccc([C@H](N)C(=O)NNC(=O)Cc2ccccc2O)cc1	1579668678	JTIFFFHKGFRUCV-INIZCTEOSA-N	313.357	1.091	50	20	DDGD	
C[C@@H]1C[C@@H]2CC[C@H](C(=O)NNc3ncccc3C(=O)O)CN2C1	1589300391	VIYKPNNETSMIKD-WOPDTQHZSA-N	318.377	1.343	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C#CC(C)(C)C)o1	1589774025	RJCXIPOFPHJZMH-UHFFFAOYSA-N	317.353	1.471	50	20	DDGD	
CC(C)[C@H](S)C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1841625042	JQZKMYZITJIZFE-UWVGGRQHSA-N	322.833	1.679	50	20	DDGD	
Nc1ccc(C(=O)NNC(=O)Cc2ccccc2O)c(Cl)c1	1580440065	NBHUVWJHAAGKEI-UHFFFAOYSA-N	319.748	1.632	50	20	DDGD	
C[C@@H]1CN(C(=O)/C(C#N)=C\c2ccc(O)cc2)CC[C@@H]1C(=O)O	1589365890	ANFCTPIJPCIJQI-FAJIVVBTSA-N	314.341	1.868	50	20	DDGD	
COc1ccc(NCC(=O)NN=C2CC(CC(=O)O)C2)cc1	1599597612	QMDBVPFTUSEKGJ-UHFFFAOYSA-N	305.334	1.464	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncccn1)c1ncc(C(=O)O)s1	1593101576	HLJHOSRLQNOGRQ-ZCFIWIBFSA-N	308.323	1.019	50	20	DDGD	
COc1cccnc1CC(=O)NNc1cccc(F)c1C(=O)O	1599719889	SZRYZOZTVMFSHC-UHFFFAOYSA-N	319.292	1.613	50	20	DDGD	
Cc1c(NNC(=O)C2(C(=O)O)CC=CC2)cccc1[N+](=O)[O-]	1594268547	FWODBCGYBCABRB-UHFFFAOYSA-N	305.290	1.767	50	20	DDGD	
Cn1cnc(/C=C(\C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)c1	1592587244	JOANCOGZGSWUAP-WUXMJOGZSA-N	305.301	1.390	50	20	DDGD	
CCc1cc(NC(=O)NNc2ccc(C(=O)O)c(F)c2)nn1C	1597481659	NRDXHWIURRCJPF-UHFFFAOYSA-N	321.312	1.968	50	20	DDGD	
CC[C@H](NC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Cl)C2	1796178078	DVTPPTBNGXKEJM-KZZRWZIVSA-N	319.808	1.157	50	20	DDGD	
COC[C@@H](C)NC(=S)NNC(=O)c1cn(C)c2ccccc12	14853426	RNOXJIYLXOOVJC-SNVBAGLBSA-N	320.418	1.322	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2cccnc2S)c1	14046551	IZPXHRXJZQKSQL-UHFFFAOYSA-N	316.386	1.511	50	20	DDGD	
C[C@H]1C[C@H](C)CN(CC(=O)NNC(=O)c2ccc(F)cc2)C1	18708759	JKJPJMBMVFWBFB-RYUDHWBXSA-N	307.369	1.565	50	20	DDGD	
O=C(CC1CCSCC1)NNc1nc2ccccc2c(=O)[nH]1	162169081	SFASQULPCBSCLC-UHFFFAOYSA-N	318.402	1.900	50	20	DDGD	
Cc1conc1NC(=O)C(=O)NNc1nc2ccccc2s1	158142308	ZKCYPHATAINLNG-UHFFFAOYSA-N	317.330	1.675	50	20	DDGD	
Cc1nc(CC(C)C)c(C(=O)NNC(=O)c2c[nH]nc2C)s1	152822481	OVBNWCZUCBHCCN-UHFFFAOYSA-N	321.406	1.756	50	20	DDGD	
Cc1nccn1C[C@@H](C)CNC(=O)NNC(=O)c1ccccc1	157444618	OBYZXOKFNPKVAG-LBPRGKRZSA-N	315.377	1.472	50	20	DDGD	
C=CC(=O)Nc1ccccc1CC(=O)NN(C)C(=O)NCC	2088605723	OAUFPOCZNQHCIX-UHFFFAOYSA-N	304.350	1.046	50	20	DDGD	
N#CC1(C(=O)NNC(=O)c2c[nH]c3ccccc23)CCOCC1	109138531	NCSRJVBSSASTOW-UHFFFAOYSA-N	312.329	1.249	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccnc(Cl)c1	55353588	XBVNQTNBEUVFLW-UHFFFAOYSA-N	319.748	1.747	50	20	DDGD	
CCc1cnc(CNC(=O)NNc2ccc(Cl)nn2)s1	174174142	ZHRKPVWORBBEML-UHFFFAOYSA-N	312.786	1.975	50	20	DDGD	
C#CCN1CCC(C(=O)NNc2cc(F)c(F)c(F)c2)CC1	175475532	GGFKVCSBWWXSRJ-UHFFFAOYSA-N	311.307	1.892	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC[C@@H]1CCCOC1)c1ccccc1	171838666	PXNNOPYAPMOGSG-ZFWWWQNUSA-N	319.405	1.937	50	20	DDGD	
Cc1ccccc1OCCCNC(=O)NNc1ncccn1	105284823	WEYMSFFWBBOWMN-UHFFFAOYSA-N	301.350	1.880	50	20	DDGD	
COc1cc(NC=C(C#N)C#N)c(C(=O)N(C)C)cc1OC	24953840	BXEMOWLTKYFPRI-UHFFFAOYSA-N	300.318	1.749	50	20	DDGD	
COCC(=O)NNC(=O)c1ccc(OCCC(C)C)c(OC)c1	23159547	VBNCYTQXSPAKQO-UHFFFAOYSA-N	324.377	1.528	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCC2CCN(C)CC2)n1	175458560	OUUHTHLTDWUCHA-UHFFFAOYSA-N	322.413	1.152	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1nc2ccccc2n1C)C1CC1	175201498	BHXFKOXWBNBTMR-SNVBAGLBSA-N	300.362	1.309	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1cccc(OC(C)C)c1	68895328	FUZQDXFSNHTRIT-UHFFFAOYSA-N	323.393	1.383	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCCN2CCCCC2)n1	175205146	BASZILWCKNPANX-UHFFFAOYSA-N	322.413	1.296	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Cc2ccc3c(c2)CCCC3)cn1	117680156	IDMCQOZHTJQDDC-UHFFFAOYSA-N	312.373	1.303	50	20	DDGD	
O=C(NNC(=O)c1cc(F)cc(Cl)c1O)c1cccnc1	176958164	XUDHWZFSPYJOSX-UHFFFAOYSA-N	309.684	1.655	50	20	DDGD	
CC(=O)Nc1nc(C(=O)NNc2cc(C)nc(C)n2)cs1	129001567	OLMVGMRISPDILW-UHFFFAOYSA-N	306.351	1.265	50	20	DDGD	
Cc1nc2c(cnn2C(C)C)cc1C(=O)NNC(=O)NC(C)C	68809598	YEYQETYPWNFHEL-UHFFFAOYSA-N	318.381	1.673	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)[C@@H]1CC(c2cnn(C)c2)=NO1	1346934734	PZJPKMWDQLPLEM-AWEZNQCLSA-N	317.324	1.504	50	20	DDGD	
CCc1nnc(NC(=O)NNC(=O)Cc2ccccc2F)s1	182842019	LFDKKUAGULWJBD-UHFFFAOYSA-N	323.353	1.635	50	20	DDGD	
C=CCNC(=O)c1ccc(NC(=O)NNC(=O)[C@@H](C)CC)cc1	184477357	SAKPZFBMOGPPAS-NSHDSACASA-N	318.377	1.801	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Nc1ccc(F)cn1	122867858	HVSYZINIGGFDKE-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cscc2C)nc1	124307154	PSWWXMHJZYBYJK-UHFFFAOYSA-N	306.347	1.542	50	20	DDGD	
O=C(CCSc1ccc(F)cc1)NNC(=O)c1ccon1	128447788	UFLXSWLNBYRNKY-UHFFFAOYSA-N	309.322	1.757	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1csc([C@@H]2CCCO2)n1	123110314	YMJWTPZYIHIZBA-JTQLQIEISA-N	312.395	1.739	50	20	DDGD	
CCC(CC)CC(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1	128850638	NFAOPMHNRWRXIY-CHWSQXEVSA-N	313.442	1.459	50	20	DDGD	
Cc1cc(C)n2nc(C)c(C(=O)NNC(=O)C(C)(C)C)c2n1	77220749	UQQLBOCAPRWOJR-UHFFFAOYSA-N	303.366	1.462	50	20	DDGD	
C[C@@H](NC(=O)NN[C@]1(C)CCS(=O)(=O)C1)C1CCCCC1	74502671	INUWXWGMRYGJEC-BXUZGUMPSA-N	317.455	1.336	50	20	DDGD	
COc1nccnc1NNC(=O)Cc1c[nH]c2ccc(F)cc12	131715303	KZBRWYGDFXDIRO-UHFFFAOYSA-N	315.308	1.791	50	20	DDGD	
CC(C)C[C@@H](C)NC(=O)NNC(=O)COc1ccccc1C#N	133336488	PJWIYGCRLVLRRW-GFCCVEGCSA-N	318.377	1.702	50	20	DDGD	
CCCSCC(=O)NNC(=O)c1ccc2c(c1)OCCO2	48488682	HAQDNRIPZPWRRN-UHFFFAOYSA-N	310.375	1.362	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2Cc3ccccc3C(=O)O2)o1	84292419	AWUAOQWGQBRDLY-CYBMUJFWSA-N	314.297	1.131	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(C(C)C)[nH]n2)c(O)c1	80388501	BPHQJZWMTHUQGC-UHFFFAOYSA-N	302.334	1.622	50	20	DDGD	
C[C@@H]1CCC[C@@H](NCC(=O)NNC(=O)c2ccccc2)[C@@H]1C	194032299	QJPRGEPHDZPLEE-UMVBOHGHSA-N	303.406	1.862	50	20	DDGD	
O=C(NNc1ncccn1)c1cc(-c2ccc3c(c2)CCO3)no1	137260000	GSLWPDORYHRXLO-UHFFFAOYSA-N	323.312	1.823	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCN3CCCC[C@H]23)o1	84157331	DMECPLGFQRSEGD-VXGBXAGGSA-N	306.366	1.159	50	20	DDGD	
CC(=O)CC(C)(C)CC(=O)NNC(=O)COc1ccc(C)cc1	191663634	RGHONTFZKURYQY-UHFFFAOYSA-N	320.389	1.917	50	20	DDGD	
CNC(=O)c1ccc(Cl)c(NC(=O)NNc2cnccn2)c1	92425684	ZJPXTIYFNOLBNL-UHFFFAOYSA-N	320.740	1.638	50	20	DDGD	
CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)NNc1cccnn1	92542596	YMJYRFRQPSKPHE-RTXFEEFZSA-N	307.398	1.942	50	20	DDGD	
O=C(NCc1nnc2n1CCC2)NNc1ccc(Cl)nc1	266661019	JYWAMECLGKLRJZ-UHFFFAOYSA-N	307.745	1.099	50	20	DDGD	
COc1ccc(OCCCNC(=O)NNC(=O)C2CCC2)cc1	264771064	WELCUXKMIXHQPF-UHFFFAOYSA-N	321.377	1.595	50	20	DDGD	
CSC[C@H](C)C(=O)NNC(=O)Cn1cnc2ccccc21	264509890	UUNHYXMAINDNMN-JTQLQIEISA-N	306.391	1.183	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	265071411	ZCOHVDTVFLQARB-MBNYWOFBSA-N	304.346	1.040	50	20	DDGD	
COc1cc(CC(=O)NNC(=O)C2CCC2)cc(OC)c1OC	264824638	XYVMHONPBNZKMX-UHFFFAOYSA-N	322.361	1.202	50	20	DDGD	
N#CC1=CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)CC1	272677959	MOXCIZNXQVYIJN-ZDUSSCGKSA-N	313.332	1.861	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNc1ccc(C(=O)OC)cn1	273927957	VSGAILGSDUWQGK-UHFFFAOYSA-N	315.333	1.286	50	20	DDGD	
O=C(NNc1ncccn1)Nc1ccccc1O[C@@H]1CCOC1	274861829	UOPMOLXWIKFLRL-LLVKDONJSA-N	315.333	1.793	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H](NC(=O)NNC(=O)c2ccccc2C)C1	279726861	MOLMEDLORLFXDZ-NWDGAFQWSA-N	319.361	1.281	50	20	DDGD	
COc1ccnc(NNC(=O)NCC[C@@H]2CCO[C@@H](C)C2)n1	273344697	BBMKBPRGVUKTBA-WDEREUQCSA-N	309.370	1.317	50	20	DDGD	
COC(=O)CSCCC(=O)NNc1cc(Cl)ccn1	272429291	GPUZPXLEWORDHH-UHFFFAOYSA-N	303.771	1.474	50	20	DDGD	
O=C(/C=C/c1c[nH]cn1)NNC(=O)C12CC3CC(CC(C3)C1)C2	276780853	ZGQQNGCAHPXWQA-OWOJBTEDSA-N	314.389	1.787	50	20	DDGD	
C#CCOc1ccccc1CNS(=O)(=O)CBr	272806075	MDJGAMCZVPXTOT-UHFFFAOYSA-N	318.192	1.470	50	20	DDGD	
CC1=C(C(=O)NNC(=O)COc2ccccc2O)CCCO1	270096864	YQJZQFXEKRZOLF-UHFFFAOYSA-N	306.318	1.003	50	20	DDGD	
COc1ccc(NC(=O)CN2CC=C(C#N)CC2)c([N+](=O)[O-])c1	272701089	WGANRZUOEUKHMD-UHFFFAOYSA-N	316.317	1.698	50	20	DDGD	
CSSCCNC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12	375229979	SJQAVNAXTIFSNI-LDYMZIIASA-N	306.478	1.568	50	20	DDGD	
O=C(NNC(=O)c1cc2n(n1)CCO2)c1cccc(Cl)c1	377875966	VCRNFFLBXPOQEE-UHFFFAOYSA-N	306.709	1.004	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)COC2CCC(C)CC2)nc1	281238339	PHXFEXSWMATPOP-UHFFFAOYSA-N	321.377	1.907	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NCC23CCC(CC2)C3)n1	372298131	MNRLBJFBJLDFQY-UHFFFAOYSA-N	319.409	1.411	50	20	DDGD	
CCc1c(C(=O)NNC(=O)COc2cccc(C)c2)ccn1C	289755376	JDXHPUIRIGMLLA-UHFFFAOYSA-N	315.373	1.736	50	20	DDGD	
CC[C@@H]1C[C@H]1NC(=O)NNC(=O)CSc1ccccc1O	281515676	KLQPMGQCPFRDCV-NXEZZACHSA-N	309.391	1.613	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NNc1cncc(Cl)n1	281605873	RVYQACKXKSRLFR-SKDRFNHKSA-N	311.773	1.737	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C1(c2ccccc2)CCOCC1	294319679	YEVGBZOQJHUROT-UHFFFAOYSA-N	302.374	1.682	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)C(C)(C)c1ccccc1)C1CC1	291695765	NBACGTWZGZZXRX-KRWDZBQOSA-N	304.390	1.927	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NC[C@@H]1C[C@@H]1C	298734900	MQEFAEOCHRSVTF-DCAQKATOSA-N	309.341	1.579	50	20	DDGD	
CCCC(=O)N1CSC[C@@H]1C(=O)N(C)CC(Cl)Cl	808248919	UDNOJLKQFWZRRF-MRVPVSSYSA-N	313.250	1.950	50	20	DDGD	
COc1ccc(C(=O)NNc2nnc[nH]2)c(OCCC(C)C)c1	298562762	ZRCOFYOHBKSBOJ-UHFFFAOYSA-N	319.365	1.995	50	20	DDGD	
CNc1ccc(C(=O)NNc2cc(C#N)cc(Cl)n2)cn1	802971633	QZSNYOJKUBFVCM-UHFFFAOYSA-N	302.725	1.800	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C[C@@H](CC)C(C)C	807370857	VGXQPJSHDIWTIY-GFCCVEGCSA-N	302.415	1.995	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@H](F)CC1CCCCC1	802029989	YETZJFPEDZNJQQ-CYBMUJFWSA-N	308.357	1.965	50	20	DDGD	
CCO[C@@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1OC	298490239	HDASJNRJLQNJOU-QMMMGPOBSA-N	300.742	1.535	50	20	DDGD	
COc1ccnc(NNC(=O)CCOCc2ccccc2)n1	298945166	DYGNBQXABDAUOD-UHFFFAOYSA-N	302.334	1.535	50	20	DDGD	
CN(C)C(=O)c1cccc(CNC(=O)NNC(=O)C(C)(C)C)c1	298680695	QUTWUQPWWXFYJS-UHFFFAOYSA-N	320.393	1.265	50	20	DDGD	
O=C(NCC(Cl)Cl)[C@H]1CN(Cc2ccccc2)CCO1	294818160	XITONWARYDIPRF-GFCCVEGCSA-N	317.216	1.807	50	20	DDGD	
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ncccn1	292928417	HQYDJZGZUCZGPZ-SNVBAGLBSA-N	309.370	1.469	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)cc1)NNc1ncccc1F	804215902	KPTQXLGSGOTEJB-UHFFFAOYSA-N	306.272	1.233	50	20	DDGD	
CCC[C@@H](C)C(=O)NCCNC(=O)NNC(=O)c1ccccc1	292383354	GZVWELYRDTWXFV-GFCCVEGCSA-N	320.393	1.183	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1n[nH]cc1[N+](=O)[O-]	805384939	FLYYPNHKBQVCNI-UHFFFAOYSA-N	306.238	1.291	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2cncnc2C)c1	298731738	OFGSLOQGSFJPGM-UHFFFAOYSA-N	314.345	1.242	50	20	DDGD	
O=C(Cc1coc2ccccc12)NNC(=O)NCC(F)(F)F	803168988	JWMSVWAQAWCNPE-UHFFFAOYSA-N	315.251	1.868	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CCCO2)ccc1[N+](=O)[O-]	296606320	DWJPEPBNBLPRIH-NSHDSACASA-N	308.294	1.235	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNc2nc(C)cc(OC)n2)o1	293166081	ISNSGKDVQXJWHR-UHFFFAOYSA-N	305.338	1.799	50	20	DDGD	
O=C(NC[C@H]1Cc2ccccc2O1)NNc1ncccc1F	804908234	JWEQVHNNEWVYQG-LLVKDONJSA-N	302.309	1.851	50	20	DDGD	
O=C(COCc1ccccn1)NNC(=O)c1cccc(Cl)c1	805152477	YRXALFJKIBIXHU-UHFFFAOYSA-N	319.748	1.713	50	20	DDGD	
NC(=O)[C@H]1CC[C@H](CNC(=O)NNc2cccc(F)n2)CC1	817176934	OLRJNNZOPFRGBL-MGCOHNPYSA-N	309.345	1.139	50	20	DDGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCO[C@H](C(=O)O)C1	819090882	JRGOGCPFUAASOF-XLVZXTRVSA-N	303.274	1.245	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@]2(C)CCN(C(C)=O)C2)cc1	817895926	JCSKDJAOEYNAQA-MRXNPFEDSA-N	305.378	1.787	50	20	DDGD	
COc1ccc(-c2nc(C)c(C(C)=NNC(=O)CO)s2)cc1	814896412	XFYYYOBCAFFILH-UHFFFAOYSA-N	319.386	1.960	50	20	DDGD	
COc1ccnc(NNC(=O)C2(c3ccccc3)CC(=O)C2)n1	810090473	NQRFBPWMXWZSGK-UHFFFAOYSA-N	312.329	1.229	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)CCc1ccccc1O	811642042	XCJOUKIRESGFGF-ZDUSSCGKSA-N	303.362	1.486	50	20	DDGD	
O=C1CSc2cc(C(=O)NNc3ncncc3F)ccc2N1	817078335	ZRQCVNRDZNZSDE-UHFFFAOYSA-N	319.321	1.417	50	20	DDGD	
CCN(CC)CCC(=O)NN=C(C)c1ccc2nc(O)[nH]c2c1	812438266	MDHREEHOLCBSBV-UHFFFAOYSA-N	317.393	1.841	50	20	DDGD	
CCCC(=NNC(=O)NCC(=O)OC)c1ccc(OC)cc1	814901147	ZZBQKFNHHAAKNN-UHFFFAOYSA-N	307.350	1.672	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)CNC(=O)c2ccco2)CC[C@H]1C(=O)O	814827088	UFXYANLEQRBKFC-MWLCHTKSSA-N	321.333	1.002	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1cnc(N(C)C)nc1	814763521	FBKHDRIRKRGUEA-ZDUSSCGKSA-N	318.425	1.115	50	20	DDGD	
COCCC(COC)=NNC(=O)[C@@H](C)Oc1ccccc1F	812224627	GNYHCSBFSUSMLQ-LLVKDONJSA-N	312.341	1.748	50	20	DDGD	
COc1cccc(COCC(=O)NNC(=O)CC(C)(C)C)c1	728609786	DIJUBUHOBKOTBL-UHFFFAOYSA-N	308.378	1.795	50	20	DDGD	
COCCC(COC)=NNC(=O)c1cc(-c2ccccc2)[nH]n1	812221464	COTDMETXVDRBRU-UHFFFAOYSA-N	316.361	1.845	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CN1CCc2ccccc2C1=O	816629398	KXTAEMVQAZTVRT-UHFFFAOYSA-N	315.200	1.947	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NN=Cc2cnn(C)c2N)c1C	814748334	KITUTQYYKQOZHX-GFCCVEGCSA-N	315.377	1.537	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cnc(OCC2CC2)c(Cl)c1	823935187	OUEQJABAXAXZJS-SECBINFHSA-N	313.785	1.481	50	20	DDGD	
Cc1nn(C)cc1CC(=O)NNc1cccc([N+](=O)[O-])c1C	827181022	RLJCKQZFBLPMPI-UHFFFAOYSA-N	303.322	1.631	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1ccc2c(cnn2C(C)C)c1	493311883	HQOUSSJLGISLKW-UHFFFAOYSA-N	312.351	1.167	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C	493157038	OHLLFNTVJFCQMR-JTQLQIEISA-N	316.402	1.230	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)c2cnn(C)c2C)c1	727497660	FVNSCFLISAJAGX-UHFFFAOYSA-N	313.386	1.341	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)C[C@@H]1C=CCC1	496323617	KTUASINSAKYZBB-LLVKDONJSA-N	311.382	1.405	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CN(C(=O)OC(C)(C)C)C(C)C	824404198	MQIQLVDMAXKBNQ-UHFFFAOYSA-N	316.402	1.371	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCOc2ccccc2C1	827308149	YMYQQPQEFCCIEE-YPMHNXCESA-N	319.361	1.047	50	20	DDGD	
O=C(C[C@@H]1CC[C@H]2C[C@@H]12)NNc1nccc(N2CCOCC2)n1	826966869	VOMWRMUTBLZONV-RWMBFGLXSA-N	317.393	1.193	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(OC)cc1Br	823856743	YKDDFTWQSFGSBI-UHFFFAOYSA-N	317.183	1.417	50	20	DDGD	
COc1ncc(/C=C/C(=O)NNC(=O)Nc2ccccc2)cn1	493149326	JZSAFQDKRARRNV-BQYQJAHWSA-N	313.317	1.351	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1	823936031	YOMKXKHTLCXULU-CMPLNLGQSA-N	315.414	1.024	50	20	DDGD	
COc1c(NC(=O)NNC(=O)OC(C)(C)C)cccc1C(N)=O	495363161	UYRFTWDEDKWBGH-UHFFFAOYSA-N	324.337	1.355	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1ccccc1C(F)(F)F)C1CCC1	900661770	ZKXHLGRQGKHODP-NSHDSACASA-N	316.279	1.686	50	20	DDGD	
O=S(=O)(CCl)N[C@H](CN1CCCC1)c1ccccc1	829892314	BDZYGMGYJFRJHC-CYBMUJFWSA-N	302.827	1.939	50	20	DDGD	
Cc1nc2ccccn2c1CNS(=O)(=O)CCCCl	908372048	HDCBXOXHYPWYCF-UHFFFAOYSA-N	301.799	1.691	50	20	DDGD	
C[C@@H]1C[C@H]1[C@H](NCc1ccc(B(O)O)cc1F)c1ccccc1	585023978	RIKDOJWXCNTJQK-XHBKTUGNSA-N	313.181	1.992	50	20	DDGD	
CCOC(=O)N1CCC(C(=O)NNc2ccc(C#N)cc2)CC1	493974004	FMGCNHVGYKZHSQ-UHFFFAOYSA-N	316.361	1.870	50	20	DDGD	
CN(C)N(C(=O)/C=C\C1CCCC1)[C@H]1CCS(=O)(=O)C1	493436266	SXXPFZSWBBHACF-WSROAFLRSA-N	300.424	1.225	50	20	DDGD	
CC[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)C[C@@H](CC)O1	827259915	MPQREFJLSQTZLH-UMSGYPCISA-N	313.398	1.042	50	20	DDGD	
COC[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)[C@@H]1CCCO1	491007812	GZMIYELYAXKOOG-IJVTXNRDSA-N	316.357	1.609	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl	493007454	BRZSBASXYSMITI-UHFFFAOYSA-N	323.714	1.106	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCC[C@H]2Cc2ccccn2)cc1	585047608	SGEPUXABNFAWGM-MAUKXSAKSA-N	310.206	1.262	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCC[S@@](C)=O)cc1	735051838	HDHALAZOUUXGIN-QYFOZDBKSA-N	306.387	1.487	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)C[C@@H]1CC[C@H]2C[C@@H]12	826590523	QHHYJDRUXBEUCB-SGMGOOAPSA-N	312.373	1.460	50	20	DDGD	
OB(O)c1cccc(CN[C@H]2CCC[C@@H]2Cc2ccccn2)c1	585047551	RGPUKUNLDCUQKS-QAPCUYQASA-N	310.206	1.262	50	20	DDGD	
Cn1nnc2cc(/C=C(\C#N)C(=O)N=c3cc[nH]cc3)ccc21	490943186	QQLBACMSSSVLTF-XYOKQWHBSA-N	304.313	1.331	50	20	DDGD	
N#CCN1CCC(NC(=O)NNc2ccccc2Cl)CC1	730674051	DQQSQDKBJWQEFC-UHFFFAOYSA-N	307.785	1.954	50	20	DDGD	
COc1ccc(C2(C(=O)NNc3nc[nH]n3)CCC2)cc1OC	839770732	YUXREOMOAJFRHT-UHFFFAOYSA-N	317.349	1.387	50	20	DDGD	
CC(C)(C(=O)NN=C1CCN(C(N)=O)CC1)c1ccccc1	731153461	NAOAUNPYUYXHMJ-UHFFFAOYSA-N	302.378	1.611	50	20	DDGD	
Cc1ccc([C@@]2(C)CCN(C(=O)c3cccc(B(O)O)c3)C2)cc1	584983890	RBEWAVJKMFTLJU-IBGZPJMESA-N	323.201	1.479	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@H]2CCCCO2)n(C(C)(C)C)n1	836311068	LFXNJONDDUMWLF-LLVKDONJSA-N	323.397	1.668	50	20	DDGD	
CCCN(CC1CCCCC1)C(=O)c1cccc(B(O)O)c1	584932926	BQFHUZSOILGLSB-UHFFFAOYSA-N	303.211	1.799	50	20	DDGD	
CCC(=O)c1cccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	831571063	OLRXHQIFOYBOJN-ZWNOBZJWSA-N	319.361	1.857	50	20	DDGD	
Cc1noc(C)c1[C@H](C)c1nc(-c2ccc(B(O)O)cc2)no1	585051105	UJRBFCPXYUYGQZ-QMMMGPOBSA-N	313.122	1.173	50	20	DDGD	
CCOCC(=O)NN[C@@H](C(=O)OC)c1cccc(Cl)c1	735506653	JQDZJTLXPINODW-GFCCVEGCSA-N	300.742	1.211	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)Cn2cc(C(=O)O)nn2)cc1	833449020	MLIGEXPURLGDQO-UHFFFAOYSA-N	317.349	1.417	50	20	DDGD	
O=S(=O)(CCl)NC[C@H](O)c1ccccc1C(F)(F)F	830614719	NRGXBLORCOFUKC-VIFPVBQESA-N	317.716	1.855	50	20	DDGD	
CCS[C@@H]1CCC[C@H](NC(=O)c2cccc(B(O)O)c2)C1	584960902	ORSACKMBBSMDDS-UONOGXRCSA-N	307.224	1.161	50	20	DDGD	
Cc1noc(CCCNC(=O)[C@@]2(C)C[C@@H]2Br)n1	906530937	NKFAMPXBYLDTFQ-KWQFWETISA-N	302.172	1.600	50	20	DDGD	
CCC(C)(C)OCC(=O)NNC(=O)c1ccc(OC)cc1OC	837400037	MNFZLTWKAVOTCA-UHFFFAOYSA-N	324.377	1.670	50	20	DDGD	
O=C(O)COc1cccc(C=NNC(=O)Cc2cccnc2)c1	733204534	SEAAWVUHFUDGOB-UHFFFAOYSA-N	313.313	1.238	50	20	DDGD	
COc1cc(C(=O)NNc2cnccn2)cc2c1OCCO2	734242437	GKYSBTJFJINAKW-UHFFFAOYSA-N	302.290	1.013	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNC(=S)NC(C)(C)C)c1	918690365	PSASHXOCGFJMBL-UHFFFAOYSA-N	309.391	1.381	50	20	DDGD	
Cn1cc(C(=O)NN=C2CCOc3c(F)cc(F)cc32)cn1	735412991	FUZIQKHGQDDARX-UHFFFAOYSA-N	306.272	1.615	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	917719734	HHFZWUUCXITPNX-UHFFFAOYSA-N	321.280	1.297	50	20	DDGD	
O=S(=O)(CCl)N1CCC[C@@](CO)(Cc2ccccc2)C1	831601614	HPKCMZGGKPDFJP-CQSZACIVSA-N	317.838	1.830	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)[C@H]1CCCCO1)C(=O)N2	834990649	UTWWSZCIEJYCNH-GFCCVEGCSA-N	303.318	1.037	50	20	DDGD	
CC(C)C[C@H](NC(=O)O)C(=O)NNc1nc2ccccc2[nH]1	833479354	LNPXGLDTLPDNTD-NSHDSACASA-N	305.338	1.688	50	20	DDGD	
CC(=NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cnn(C)n1	834924841	GWYFNTQFOOIITN-UHFFFAOYSA-N	301.394	1.872	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(F)c(-c2nn[nH]n2)c1	736586040	LNZDVKWEOCCLJL-FPLPWBNLSA-N	302.269	1.388	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)CC(C)(C)C)c1nnc2n1CCC2	730935904	GHESZLYQNNBSQV-SECBINFHSA-N	308.386	1.052	50	20	DDGD	
C[C@H]1CCCN([C@@H](C)CNC(=O)NNC(=O)C2CCCC2)C1	916450497	PWPPVUCYNRVNFQ-STQMWFEESA-N	310.442	1.627	50	20	DDGD	
CC(Cc1cnccn1)=NNC(=O)NCCc1cccs1	834946332	NJSQHJQKWWTKEW-UHFFFAOYSA-N	303.391	1.998	50	20	DDGD	
Cc1cc(C)c(NNC(=O)N[C@@H]2CC[C@H](C(N)=O)C2)c(C)c1	838729762	XWHCFCCQAXLWPA-QWHCGFSZSA-N	304.394	1.892	50	20	DDGD	
COc1c(O)ccc(C=NNC(=O)[C@H]2CCCCO2)c1[N+](=O)[O-]	834984805	FVSASNPZUYPZJN-LLVKDONJSA-N	323.305	1.328	50	20	DDGD	
CCCc1c(C(=O)NNc2ncc(F)cn2)[nH]c(C)c1C(=O)O	833653165	OIORILBRMXYXRW-UHFFFAOYSA-N	321.312	1.660	50	20	DDGD	
C#CCO[C@@H](C)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	830614272	CSSOGSDAUIAAGT-WDEREUQCSA-N	324.764	1.293	50	20	DDGD	
Cc1cc(C)n([C@@H](C)CC(=O)NNC(=O)c2ccccn2)n1	916093502	WJVZGVPNFDJLAS-LBPRGKRZSA-N	301.350	1.307	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cccc3c2OCCO3)n[nH]1	917543165	HAXMIHXLCGBGCZ-UHFFFAOYSA-N	300.318	1.182	50	20	DDGD	
COC(=O)c1ccccc1C=NNC(=O)Cn1nc(C)cc1C	744742744	IIVDMUCCJWNRIX-UHFFFAOYSA-N	314.345	1.437	50	20	DDGD	
COc1ccnc(NNC(=O)c2c[nH]nc2-c2ccncc2)n1	917099581	LYLHNYREYZYWHC-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1CC(=O)NNC(=O)COCc1ccccc1	746284160	GRALXAZSKROMSQ-OKILXGFUSA-N	319.405	1.223	50	20	DDGD	
COc1cccc(NNC(=O)Nc2cnc3c(c2)CNCC3)n1	841321243	DQLRTDUNFVUAFK-UHFFFAOYSA-N	314.349	1.280	50	20	DDGD	
CC[C@@](O)(C(=O)NN(C)C[C@H](C)O)c1cccc(Cl)c1	910149512	FSCWBCPEKHROMK-HZMBPMFUSA-N	300.786	1.281	50	20	DDGD	
CC(C)Oc1ccc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1	915957779	VGTTXFXWDJGKLV-CYBMUJFWSA-N	324.402	1.359	50	20	DDGD	
CC(C)Oc1ccccc1C=NNC(=O)C(=O)N1CCCC1	748137872	XRVSWJQKJPVELS-UHFFFAOYSA-N	303.362	1.546	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@]2(O)CCSC2)c1	843870700	YLKDJVFTKNVBTM-AWEZNQCLSA-N	324.406	1.091	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(Cl)nc(C2CC2)c1	847099521	QYRZDNVJDKUBFW-KWQFWETISA-N	323.780	1.798	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CCO[C@@H]2C)c([N+](=O)[O-])cc1O	842560712	YSQDDZOWBCBCMY-SCZZXKLOSA-N	323.305	1.184	50	20	DDGD	
CN(NC(=O)C1(C(=O)Nc2c(F)cccc2F)CC1)C1CC1	848229532	NCGVYIVLDBPRTB-UHFFFAOYSA-N	309.316	1.809	50	20	DDGD	
Cc1cccc([C@H](CC(=O)NNC(=O)CC(C)C)NC(N)=O)c1	914605262	IHMUAUKXXRHDGU-ZDUSSCGKSA-N	320.393	1.288	50	20	DDGD	
CC(=NNC(=O)c1c(C)nc2ccccn12)c1cn(C)nc1C	917533033	CMAAXABUROCTGL-UHFFFAOYSA-N	310.361	1.839	50	20	DDGD	
COCCOCC(C)=NNC(=O)c1cc(Cl)ccc1O	741162968	GEBKSRHYOBKPGN-UHFFFAOYSA-N	300.742	1.814	50	20	DDGD	
CO[C@@H](CC(=O)NNC(=O)Cc1ccccc1F)C(F)(F)F	844382899	MRBSYNYTODCXGT-JTQLQIEISA-N	322.258	1.483	50	20	DDGD	
COc1ncnc(OC)c1C(=O)NNc1cccc([N+](=O)[O-])c1	748005253	VKIGSRGLOISDKM-UHFFFAOYSA-N	319.277	1.159	50	20	DDGD	
COc1ccccc1OCCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843641626	TWBSIPZJOWWUAR-NEPJUHHUSA-N	322.361	1.037	50	20	DDGD	
CON(C)C(=O)[C@H](C)NC(=O)NNc1ccc(Cl)c(C)c1	923474743	KEYRVFBPEJVDBY-VIFPVBQESA-N	314.773	1.683	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)N[C@H]1CCc2c[nH]nc2C1	921446827	QXFNGEKXDZGPCX-JTQLQIEISA-N	307.304	1.872	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)c1cccnc1)C(=O)OC(C)(C)C	843749739	BZZGEKJEJBJMDK-GFCCVEGCSA-N	321.377	1.457	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(C(C)C)n1	843650644	FTYXNYJRQJCOEX-ONGXEEELSA-N	306.366	1.094	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cccc(OCc2cccnc2)c1	746001272	FUSORBYVURTADT-UHFFFAOYSA-N	314.345	1.577	50	20	DDGD	
O=C(C[C@H]1CCS(=O)(=O)C1)NNc1cc(F)c(F)c(F)c1	746703226	MPHDLHBGAGYACS-SSDOTTSWSA-N	322.308	1.372	50	20	DDGD	
O=C(NNC(=O)[C@H](C[C@H]1CCCO1)C(F)(F)F)NC1CC1	845297298	TYPYMDHVXAOHTM-BDAKNGLRSA-N	309.288	1.227	50	20	DDGD	
Cc1noc(-c2ccccc2C(=O)NNC(=O)C2CCCC2)n1	741905091	MWICAPXVZZSBLM-UHFFFAOYSA-N	314.345	1.996	50	20	DDGD	
CC(C)(C)OC(=O)c1ccc(C(=O)NNc2cnccn2)cn1	845955194	JLLYRKGPXXKTQU-UHFFFAOYSA-N	315.333	1.584	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H]1CCN(C)C(=O)C1	920436814	IAOMSZLPLYNVRT-LLVKDONJSA-N	304.350	1.016	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2C[C@@H](C)N(C3CC3)C2)cc1	753956543	VDMXNZNNWDABQF-GFCCVEGCSA-N	314.389	1.662	50	20	DDGD	
CN(Cc1ccon1)C(=O)NC[C@]1(C)C[C@H]1Br	856898609	CZPKFZGHFPSSHR-KOLCDFICSA-N	302.172	1.990	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@H]1CCO[C@@H](C2CC2)C1	856887458	ZTMYOVVNBXBHDC-WDEREUQCSA-N	311.773	1.714	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)N[C@H]1C[C@@H]2CCCCN2C1=O	852379440	PXTREBLOTYULFZ-QWRGUYRKSA-N	323.784	1.515	50	20	DDGD	
COc1ccc(C2(C(=O)NNc3cnnn3C)CCC2)cc1	857271787	ZGIBTMCEKAKAMB-UHFFFAOYSA-N	301.350	1.389	50	20	DDGD	
O=C(NNc1cc(F)cc(Cl)c1)C1(CO)CCOCC1	855621980	SHEGSSNUVKPCSJ-UHFFFAOYSA-N	302.733	1.711	50	20	DDGD	
O=C(NNC(=O)C1CN(C2CCCCC2)C1)OCC(F)(F)F	856025930	FTABMIVZJAKDOC-UHFFFAOYSA-N	323.315	1.571	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H]1C[C@H]1c1cc(OC)ccc1OC	854919660	ADYLSUJFVPEFOG-CMPLNLGQSA-N	323.418	1.275	50	20	DDGD	
CN(C)c1ccnc(CNC(=O)[C@]2(C)C[C@@H]2Br)c1	927696520	ABJZMOOCPAUGBQ-WCQYABFASA-N	312.211	1.937	50	20	DDGD	
Cc1cc(OCC(=O)NC[C@]2(C)C[C@@H]2Br)no1	857403537	IXULIJQTJVQPQH-KWQFWETISA-N	303.156	1.652	50	20	DDGD	
Cn1cccc(NC(=O)NC[C@]2(C)C[C@@H]2Br)c1=O	856840901	WRTRSWYAXYNSOL-CABZTGNLSA-N	314.183	1.680	50	20	DDGD	
CCNC(=O)c1ccc(NC(=O)NNC(=O)CC(C)C)c(C)c1	756083249	BACKWWSBRKMWRV-UHFFFAOYSA-N	320.393	1.944	50	20	DDGD	
CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)NNC(=O)c1cn[nH]c1	858230956	KHHOJOWDKWKOGT-PWSUYJOCSA-N	323.397	1.195	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)N[C@H]1CCC(=O)N(C)C1=O	922964692	RXHJQLTZKVLNQI-JTQLQIEISA-N	324.768	1.422	50	20	DDGD	
CC[C@@H]1COCC1=NNC(=O)CSc1nc(C)cc(C)n1	853262531	ZLWHNXOJGOJQCO-LLVKDONJSA-N	308.407	1.714	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H]1C[C@@]12CCCc1ccccc12	854925030	ZUFJQNQLWQPODJ-XJKSGUPXSA-N	303.431	1.748	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)C2CC3(CC3)C2)nc2ccccc21	854201708	QLFPUCNGLBKAIB-UHFFFAOYSA-N	312.373	1.453	50	20	DDGD	
O=C(NN=CC1(CN2CCOCC2)CCCCC1)c1cc[nH]n1	853393148	VVICODWSIKNSBD-UHFFFAOYSA-N	319.409	1.408	50	20	DDGD	
COC[C@H](C)Oc1ccc(C=NNC(=O)N2CCOCC2)cc1	853297028	WYBAQRJLZMDTAH-ZDUSSCGKSA-N	321.377	1.476	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)C3(N(C)C)CC3)cc2C1	854240112	GZYZPAXMXYYFAC-JTQLQIEISA-N	321.446	1.728	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N(C)C[C@@H](O)C2CC2)cc(C#N)n1C	755514902	FUBISGVHFSPHPM-QHDPKREISA-N	312.373	1.341	50	20	DDGD	
CCn1nccc1NC(=O)NNC(=O)Cc1ccc(F)cc1	757902763	GKQNIVHBJCIJIT-UHFFFAOYSA-N	305.313	1.438	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc([N+](=O)[O-])c2cccnc12	765532473	VJFRGQNJIWTLAH-UHFFFAOYSA-N	302.290	1.560	50	20	DDGD	
CCOc1ccc(C[C@H](C)C(=O)NNC(=O)c2cn[nH]c2)cc1	862469915	VSEKFGCJXDUKIU-NSHDSACASA-N	316.361	1.448	50	20	DDGD	
CC(C)CCC(=O)NCC(=O)NNc1nc2ccccc2[nH]1	768507039	LFEWTYLMQBAIQU-UHFFFAOYSA-N	303.366	1.558	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C2(F)CCOCC2)cc1	864490354	VDMDXWUXAHIRRB-UHFFFAOYSA-N	310.325	1.040	50	20	DDGD	
OB(O)c1ccc(CNc2cc3c(cc2Cl)OCO3)cc1	864029564	BALQCIVEJGGJDR-UHFFFAOYSA-N	305.526	1.361	50	20	DDGD	
Cn1c(C(=O)NNc2ncccc2C(F)(F)F)cccc1=O	764323090	POZQUDQBMDYRGQ-UHFFFAOYSA-N	312.251	1.556	50	20	DDGD	
CCOC(=O)N1CSC[C@H]1C(=O)NNc1ccc(C#N)cc1	935020813	JUJPPRKAQAGJMW-LBPRGKRZSA-N	320.374	1.533	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CCC(=O)OC(C)(C)C	764942143	HLRUWVUHJNNBNA-UHFFFAOYSA-N	306.362	1.878	50	20	DDGD	
CCOc1cccc(CCC(=O)NNC(=O)c2ncccn2)c1	862005656	GARBAKXJTXJKML-UHFFFAOYSA-N	314.345	1.269	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(C)sc1Br	760449440	ITKADJWGDCKNNK-UHFFFAOYSA-N	306.185	1.783	50	20	DDGD	
CCOC(C)(C)C(=O)NNc1nnc(-c2ccccn2)s1	867708712	AFDNLFTWYCYAPH-UHFFFAOYSA-N	307.379	1.858	50	20	DDGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2cncnc2)c1C	761078149	KZMKTBXPZSWSGU-UHFFFAOYSA-N	321.344	1.702	50	20	DDGD	
COc1cccc(NCC(=O)NN=C2CCN3CCC[C@H]23)c1	765570027	PRCSBOYPTWBPTB-OAHLLOKOSA-N	302.378	1.447	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C23CCC(CC2)C3)cn1	874953640	GICXMXIXNOBCGE-UHFFFAOYSA-N	320.418	1.988	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)Nc1cccc2cc[nH]c12	879283151	YKRXFDPGQQMLEP-UHFFFAOYSA-N	302.334	1.747	50	20	DDGD	
C/C(=C\C(=O)NNc1nc(O)c2cnn(C)c2n1)c1ccccc1	770974345	TZLPLNFRKDZBIC-CSKARUKUSA-N	324.344	1.616	50	20	DDGD	
CNc1ccccc1C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	872388910	QSVJWUKUHSUORU-HIFRSBDPSA-N	302.378	1.042	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cnc2ccccn12	773037493	VXLZEEPSKYDTGP-UHFFFAOYSA-N	324.340	1.347	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1csc(-c2ccccn2)n1	779822825	HIAQOZKBUXMHOM-UHFFFAOYSA-N	319.346	1.011	50	20	DDGD	
CCCN1C[C@H](CNC(=O)NNc2cccc(C)n2)CC1=O	875676538	OXHJVRWXWUNQIH-LBPRGKRZSA-N	305.382	1.275	50	20	DDGD	
COCC1(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)CC1	778532860	WOIKBAHRAGFWRG-JTQLQIEISA-N	310.325	1.167	50	20	DDGD	
COc1ccc(NCC(=O)NN=C(C)c2cnn(C)c2C)cc1	778537933	CMCSGLUZMYVXOU-UHFFFAOYSA-N	315.377	1.689	50	20	DDGD	
O=C(CO)NN=Cc1cn(-c2ccc(Cl)cc2Cl)nn1	776783968	UYHGWKGAAJKQRR-UHFFFAOYSA-N	314.132	1.017	50	20	DDGD	
Cc1nc(C(C)C)ncc1C(=O)NNC(=O)CC(F)(F)F	878344847	IHIKFFGRNCXMIS-UHFFFAOYSA-N	304.272	1.622	50	20	DDGD	
CCC(=NNC(=O)C(=O)Nc1ccccn1)c1ccc(C#N)cc1	773067735	KBDHFELOHODEDL-UHFFFAOYSA-N	321.340	1.822	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cnc2n1CCCC2	772868395	XWVZLANTTBNWSW-UHFFFAOYSA-N	300.366	1.890	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H](OC)C(C)C	771712355	DQSZHXBBPVQOIR-HNNXBMFYSA-N	308.378	1.446	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1cnccc1C	771549352	AXHHWTACFBAGJH-ZDUSSCGKSA-N	304.394	1.199	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCCN1CCO[C@@H](C)C1	771310985	INSCXOREEYRDEC-LBPRGKRZSA-N	310.373	1.481	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(CC2CC2)C(C)C)c1	777605941	ZNNJQYBGZHUHKN-UHFFFAOYSA-N	303.406	1.876	50	20	DDGD	
COc1ccc2cc(C(=O)NNC(=O)C3CCOCC3)[nH]c2c1	883061011	FJHWUUYACVNIJG-UHFFFAOYSA-N	317.345	1.364	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)c1)N[C@@H]1C[C@@H]2CC[C@H]1O2	1122448022	KFFCSMNATZFOMU-QJPTWQEYSA-N	309.753	1.604	50	20	DDGD	
CCn1c(C(C)=NNC(=O)NCC(=O)OC)nc2ccccc21	779824079	ZXAPNBYOTNKHEZ-UHFFFAOYSA-N	317.349	1.252	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](O)[C@H](C)c1ccc(C)cc1	887145490	GGAQKOMHNVIWBE-CJNGLKHVSA-N	302.374	1.410	50	20	DDGD	
N#Cc1ccc(NNC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)nc1	888815458	ONWKIHMEEVJYBQ-QWHCGFSZSA-N	301.350	1.537	50	20	DDGD	
CCO[C@H]1CCN(C(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)C1	885349813	NNGBYBGDVIHBDU-VFXTVZEFSA-N	312.373	1.750	50	20	DDGD	
CC(=NNC(=O)c1ccnc(N(C)C)c1)c1cc(C)nn1C	789017197	CBYDDGAVLUOSON-UHFFFAOYSA-N	300.366	1.344	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1	780711724	SKDKJGGXDMGVCV-AWEZNQCLSA-N	315.377	1.220	50	20	DDGD	
COC1(OC)CC(CNC(=O)NNc2cc(F)ccc2F)C1	1123783603	WHZOJZPGTFMTAQ-UHFFFAOYSA-N	315.320	1.990	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1c(F)cc(F)cc1F	885150739	IDIGJGFQFMAXAO-UHFFFAOYSA-N	305.256	1.683	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)C2CCN(C3CC3)CC2)c1	783264802	RQVRHQKRNJXUIQ-UHFFFAOYSA-N	312.373	1.194	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)OCCC2OCCO2)c1	781139075	FBDBHSFLARENOO-LCYFTJDESA-N	303.314	1.908	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1cc(Cl)c2c(c1)OCO2	794958467	PIMXKTYQFWMMRC-YCRREMRBSA-N	314.750	1.825	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccn(Cc2ccccc2)n1	798306444	HXXBVKRJMMQJAC-UHFFFAOYSA-N	315.402	1.226	50	20	DDGD	
CC(C)=CCNC(=O)NNC(=O)[C@H]1COc2ccccc2O1	790534427	OQUKBLMFYWKVAM-CYBMUJFWSA-N	305.334	1.123	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Nc1cncc(F)c1	799235277	CTRQMYCEPGIOGL-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
CCc1cc(NNC(=O)c2n[nH]cc2C)nc(-c2ccccn2)n1	799836675	XKWTYCBKVSTCCK-UHFFFAOYSA-N	323.360	1.889	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)n2cncn2)c2ccccc2n1	799008064	LXNIVDPHSFRZAB-NSHDSACASA-N	324.344	1.157	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)C1CC1	791452674	OMXUPHVRMVZAHK-IAHCOWJPSA-N	306.406	1.775	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2ccc(C#N)o2)cn1	794304385	HVFSRYWKHZYESF-UHFFFAOYSA-N	317.330	1.186	50	20	DDGD	
Cc1[nH]ccc(=NC(=O)NNc2nc3ccccn3n2)c1Cl	792354525	MQMYXGYKTULEOF-UHFFFAOYSA-N	317.740	1.657	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cc2nccnc2cc1F	792640608	FAVQQBRQHFVFST-UHFFFAOYSA-N	304.325	1.966	50	20	DDGD	
C[C@H]1[C@@H](C)SCCN1CC(=O)NNC(=O)c1cccs1	777589674	UXYVUUIVTMHSKS-VHSXEESVSA-N	313.448	1.335	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NOCCN(C)C)cc1	1329295398	IQAIBYUUKZAIEK-SDNWHVSQSA-N	303.362	1.602	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccn(CC(F)F)n2)cc1	1321021317	AKBVWTQMWPVHBQ-UHFFFAOYSA-N	324.287	1.232	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCc2ccncc2)cc1	1322600408	FQSDZIGHMZQKSD-UHFFFAOYSA-N	314.345	1.277	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(Oc2ccccc2)CC1	1325760896	LEVWGZSNNKTCNN-LLVKDONJSA-N	320.345	1.087	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2cn(C(C)(C)C)nn2)CC1	1326241170	CXJXCTBDQWZAJO-UHFFFAOYSA-N	320.441	1.605	50	20	DDGD	
CC[C@@](O)(C(=O)NNc1ccn(C)n1)c1cccc(Cl)c1	1327550037	CMUSTOMRABVLBZ-AWEZNQCLSA-N	308.769	1.814	50	20	DDGD	
Cn1ccc(NNC(=O)[C@H]2CCCN(c3ccccc3)C2=O)n1	1325387745	XDDXJWLEKBKFOM-CYBMUJFWSA-N	313.361	1.306	50	20	DDGD	
CCOC(=O)c1ncc(C(=O)NNc2ncc(F)cn2)s1	1323726745	XZNNDSRVQDHHET-UHFFFAOYSA-N	311.298	1.006	50	20	DDGD	
COc1cc(C(=O)NNc2ccn(C)n2)cc(OC)c1OC	1320948446	FVQPGMIRQBRTQR-UHFFFAOYSA-N	306.322	1.203	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)N1CCOCC1)c1ccc(F)cc1F	1323169385	PLLLCKVXBAXTII-SECBINFHSA-N	313.304	1.141	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N[C@H]2CC23CCC3)C[C@H]1Br	1330372853	KGSPTOBQQDZUGG-VDDIYKPWSA-N	315.211	1.335	50	20	DDGD	
CCOc1cc(C(=O)NC[C@@]2(C)C[C@H]2Br)[nH]n1	1334841316	MUWBPONTSYHTFC-LDYMZIIASA-N	302.172	1.712	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C12CCC(CC1)CC2	1336863712	VTNIPXQWGLXGSH-UHFFFAOYSA-N	313.467	1.831	50	20	DDGD	
Cc1cnc(Cl)cc1C(=O)NNC(=S)N[C@@H](C)C1CC1	1335295694	BNDPDOCCRDTBAV-QMMMGPOBSA-N	312.826	1.951	50	20	DDGD	
C=C1CCC(C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)CC1	1331430993	JRLRLTHOHPEMOB-UHFFFAOYSA-N	323.437	1.823	50	20	DDGD	
CCN(CCO)NC(=O)[C@H]1CCCCN1Cc1cccc(F)c1	1528502430	RXZWBEGZTBWUSG-MRXNPFEDSA-N	323.412	1.526	50	20	DDGD	
Cc1cnn(C)c1NC(=O)NNc1cccc(-c2nn[nH]n2)c1	1605989305	KOBFYAPBFMZSLO-UHFFFAOYSA-N	313.325	1.057	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1	1608481641	QYOHUHOCPJVNGA-CERSQZSQSA-N	310.741	1.614	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2cc(C)c(C(=O)O)[nH]2)cs1	1607952501	ACWPOXRXKUZPEG-UHFFFAOYSA-N	306.347	1.479	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCO1)c1ccc(OCC(=O)O)cc1	1602990860	LNLFEYIHAPBOCQ-CYBMUJFWSA-N	306.318	1.169	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1csc(C(=O)O)n1	1601559257	PIFBQJSUPVUZBF-UHFFFAOYSA-N	308.275	1.506	50	20	DDGD	
CC1(C)OC[C@@H]2C[C@@]21C(=O)NNc1cccc(F)c1C(=O)O	1604561025	XWYQIBCJJXLEOS-AYVTZFPOSA-N	308.309	1.782	50	20	DDGD	
O=C(NNc1ccc(F)cc1)c1cscc1-c1nn[nH]n1	1606861408	ZPHBHRZTVYZCFB-UHFFFAOYSA-N	304.310	1.824	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1nc2c(s1)CC[C@H](C(=O)O)C2	1605618275	ICDUTBXVLIWHRQ-FZGDARCMSA-N	321.358	1.715	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NOCCCC(=O)O)cc1	1605685412	QPEJPNPNECPVSA-RAXLEYEMSA-N	318.329	1.905	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cc3c([nH]2)CCOC3)c1	1602448963	XGMRKSODNQCAAC-UHFFFAOYSA-N	301.302	1.543	50	20	DDGD	
CCCC(=O)N1CCC[C@@H]1C(=O)NNc1ncccc1C(=O)O	1603628366	JCCRTEAMLTZVSA-LLVKDONJSA-N	320.349	1.014	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1cnc2[nH]c(O)nc2c1	1601561393	DQDSGFQIMSGOOD-UHFFFAOYSA-N	313.273	1.119	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=Cc1cc(C(=O)O)co1	1600730559	RFEPUVRLWXTBMS-UHFFFAOYSA-N	312.285	1.698	50	20	DDGD	
O=C(O)CC1CCC(=NNC(=O)c2ccc(O)c(O)c2)CC1	1608693733	WKWSZXVKSRZSDN-UHFFFAOYSA-N	306.318	1.849	50	20	DDGD	
O=C(NN=Cc1cc2ccccc2o1)[C@@H]1CN2CCC[C@H]2CO1	1549318584	PTLONRDYFZJSOG-BBRMVZONSA-N	313.357	1.746	50	20	DDGD	
CC(CCCO)=NNC(=O)[C@H]1CCCO[C@H]1c1ccnn1C	1549318495	ZWRAZSRUFCVXLK-GXTWGEPZSA-N	308.382	1.152	50	20	DDGD	
C#CC(=O)N1CC[C@H](CNC(=O)[C@@H](F)Cl)[C@H]1c1cccnc1	1808322134	PTGXAGVNWAYSCR-MRVWCRGKSA-N	323.755	1.255	50	20	DDGD	
N[C@H]1CCC[C@H](NC(=O)NNc2ccc(C(=O)O)cc2F)C1	1610643905	WUZXXGOVHQHAOZ-UWVGGRQHSA-N	310.329	1.420	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@@H]1C=NNC(=O)c1cc[nH]n1	1552453943	TYKBYOUKGOSDII-MFKMUULPSA-N	302.338	1.027	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@H]1NCCC1(C)C	1579309669	MXYOOUDPFGQSSG-GFCCVEGCSA-N	322.434	1.401	50	20	DDGD	
CC[C@](O)(CC(=O)NNC(=O)CCCCCN)c1ccccc1	1577179253	HTFKMJWGFFVYIN-KRWDZBQOSA-N	321.421	1.341	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NC1(C(=O)O)CC(CO)C1	1589699165	LMISVDOZLVDBJS-UWZOBUBJSA-N	322.199	1.138	50	20	DDGD	
NC[C@@H](C(=O)NNc1nc2cccnc2s1)c1ccccc1	1580215249	GDVSPBOJXUBUAR-LLVKDONJSA-N	313.386	1.877	50	20	DDGD	
Cc1cc(C(=O)NNc2ncccc2C(=O)O)c2n[nH]cc2c1	1594281150	USPVAMXDXBZONP-UHFFFAOYSA-N	311.301	1.721	50	20	DDGD	
O=C(O)CC[C@@H]1C[C@H](C(=O)NNC(=O)Nc2ccccc2)CO1	1595006867	WPCNZKTYOSFWGB-CMPLNLGQSA-N	321.333	1.109	50	20	DDGD	
COc1ccc(C=NNC(=O)C(F)F)c2cc(C(=O)O)oc12	1776054174	KHIOMPHRKQMTSL-UHFFFAOYSA-N	312.228	1.855	50	20	DDGD	
O=C(NCC1CC1)NN=Cc1cccn2c(C(=O)O)cnc12	1776039377	PBPDUZMNKNEQGV-UHFFFAOYSA-N	301.306	1.076	50	20	DDGD	
CCc1ncc(C(=O)NNC(=S)Nc2ccccn2)s1	161772000	BVNVTGKTINPSCU-UHFFFAOYSA-N	307.404	1.732	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CS[C@@H]1CCO[C@H]1C	163669988	CPJKZAWHGFSFIS-GXTWGEPZSA-N	322.430	1.596	50	20	DDGD	
CCc1nn(C)c(Cl)c1C(=O)NNc1ccc(Cl)nn1	157194828	XKKHWOKCVBQRHY-UHFFFAOYSA-N	315.164	1.836	50	20	DDGD	
CC(C)(F)C(=O)NNC(=O)c1cccc(Br)c1	157862788	MBNWGCNBEMEJOF-UHFFFAOYSA-N	303.131	1.958	50	20	DDGD	
CC(C)c1ccccc1OCCC(=O)NNC(=O)[C@@H]1CCCO1	157866443	QUSHQWGDPYACOZ-HNNXBMFYSA-N	320.389	1.905	50	20	DDGD	
Cn1c(C(=O)NNC(=O)c2ccc3ccccc3n2)cccc1=O	154869584	JAHKANMQSLVZBQ-UHFFFAOYSA-N	322.324	1.008	50	20	DDGD	
Cc1cnccc1C(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C	274705034	ORJNEEOPUBESPG-SNVBAGLBSA-N	322.365	1.064	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2snnc2C)c1	7958697	LXYLFXJIHLTOAU-UHFFFAOYSA-N	320.374	1.303	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Cn2c(C)c(C)sc2=O)n1	55165122	FNGOGRFLCPBCPC-UHFFFAOYSA-N	307.379	1.077	50	20	DDGD	
CC(=O)N1CCC[C@@H]1C(=O)NNc1nc(-c2ccccc2)no1	110853523	HOXOFXNLOVTOSW-GFCCVEGCSA-N	315.333	1.191	50	20	DDGD	
CC(=O)c1cccc(NC(=O)C(=O)NNc2cccc(C#N)c2)c1	119426414	WBRVOFYIMRPPAY-UHFFFAOYSA-N	322.324	1.843	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccccc1O)N1CCCCCC1	118760776	DBOIHUDCYBSSKH-LBPRGKRZSA-N	305.378	1.418	50	20	DDGD	
COc1cc(C)nc(NNC(=O)COc2ccc(C)c(C)c2)n1	174497010	ZVCHVPZBSJPOFJ-UHFFFAOYSA-N	316.361	1.933	50	20	DDGD	
CC(=O)NCC(=O)NNc1c(F)cc(F)cc1Br	174181118	NRRZTJABEGFPBH-UHFFFAOYSA-N	322.109	1.307	50	20	DDGD	
CCC1(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)CCC1	175855203	UKIZLXSDMCRIJO-CHWSQXEVSA-N	311.426	1.213	50	20	DDGD	
Cc1ccsc1C(=O)NNC(=O)CNC(=O)OC(C)(C)C	66783242	PGJKQPDOBINXFJ-UHFFFAOYSA-N	313.379	1.342	50	20	DDGD	
COC(C)(C)CNC(=O)NNC(=O)c1cc2ccccc2o1	176364538	QSTLGJMJHYEMPD-UHFFFAOYSA-N	305.334	1.802	50	20	DDGD	
Cc1nccc(NC(=O)NNC(=O)c2ccccc2Cl)n1	1343005218	PDAOBKCVBHVXRC-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)NC1CCCC1	171206607	ZVISPZKOEHYYOL-UHFFFAOYSA-N	301.350	1.150	50	20	DDGD	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)NC1CCCC1	65920876	PPKQGFGUDNXOGX-JXMROGBWSA-N	318.333	1.881	50	20	DDGD	
COC(=O)CSCCC(=O)NNc1cc(F)c(F)c(F)c1	128704347	PSSPHKVVEQBHHI-UHFFFAOYSA-N	322.308	1.843	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H](C)OC[C@H]2CCCCO2)n1	66310682	GZGPLSAEKOPRFP-QWHCGFSZSA-N	308.382	1.511	50	20	DDGD	
Cc1csc(NC(=O)NNC(=O)c2ccc(C#N)cc2)n1	127359968	AOYARHDYVDBENG-UHFFFAOYSA-N	301.331	1.790	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1ccccc1)c1nccs1	182866545	VKCNFGZLEBXPPG-JTQLQIEISA-N	304.375	1.891	50	20	DDGD	
CCOC(=O)N1CCC[C@@H](C(=O)NNc2ccnc(F)c2)C1	182450194	HUPDFKHMFPQBJL-SNVBAGLBSA-N	310.329	1.532	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2cnccn2)c(Cl)c1	75570035	LLSPPYZSQANEHD-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cc(C)ccc2C)nc1	124293385	QOILHDHMFIMDBT-UHFFFAOYSA-N	314.345	1.789	50	20	DDGD	
CC(C)(C)OCC(=O)NNC(=O)c1cc(-c2ccccc2)on1	181200817	IZJONROSXJVBQQ-UHFFFAOYSA-N	317.345	1.918	50	20	DDGD	
CCOCC(=O)NNC(=O)c1cc(-c2ccc(C)cc2)n[nH]1	127082166	RVVCDSAVARTCRQ-UHFFFAOYSA-N	302.334	1.183	50	20	DDGD	
CCCN1CCC[C@@H]1C(=O)NNC(=O)Cc1ccc(Cl)cc1	123872243	XWMIKEUGQVGLMG-CQSZACIVSA-N	323.824	1.904	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1cccc2cccnc12	180968233	XHRAZCPLKBRTOB-UHFFFAOYSA-N	314.345	1.367	50	20	DDGD	
COc1cc(CCC(=O)NNc2ncccn2)cc(OC)c1	124010825	CXIQJOACJSFGRI-UHFFFAOYSA-N	302.334	1.570	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccc(C(N)=O)c(F)c2)o1	184858458	UVIVBQPTROZLQZ-UHFFFAOYSA-N	320.280	1.293	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Nc1ccc(C)cn1	184269651	MTQZDTYGNAFWHL-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(C(F)(F)F)cc1	32262935	LOQCFECUUPAWFR-JTQLQIEISA-N	302.252	1.645	50	20	DDGD	
O=C(NNc1ccncc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	180444805	FOADBZPFMJIYLU-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ncccc1OCC(F)(F)F	84274363	WTCBXTOBUKWPSJ-UHFFFAOYSA-N	319.283	1.830	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNC(=O)c1cc(Br)c[nH]1	48964769	VGMTVRRVOVAZNI-VIFPVBQESA-N	318.171	1.353	50	20	DDGD	
O=C(NNC(=O)c1ccon1)c1cccc(Br)c1	80965555	GZAWLQWIXAHALF-UHFFFAOYSA-N	310.107	1.512	50	20	DDGD	
O=C(CN1CCOC2(CCCC2)C1)NNC(=O)c1cccs1	139688134	PLYYASYEUPQKND-UHFFFAOYSA-N	323.418	1.154	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(C(=O)NC2CC2)ccc1C	47988226	CCGLTIGOLLTDRD-UHFFFAOYSA-N	306.322	1.280	50	20	DDGD	
COc1nc(C(=O)NNC(=O)NC(C)C)cc2ccccc12	130629881	ROCBKYWCLUZWHP-UHFFFAOYSA-N	302.334	1.596	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCCCNc1ccccn1	46944674	QFOOMBQBBOJMTK-UHFFFAOYSA-N	309.370	1.623	50	20	DDGD	
CN(C)Cc1cccc(CNC(=O)NNC(=O)OC(C)(C)C)c1	46926622	NMRAPOMAGDBOSK-UHFFFAOYSA-N	322.409	1.987	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1O)c1ccccc1	130317210	SETJPEHCKKCLPU-UHFFFAOYSA-N	301.258	1.375	50	20	DDGD	
O=C(NNC(=O)c1c(O)cccc1O)c1ccc(Cl)cc1F	92123912	SLKCLHCIJVOSOX-UHFFFAOYSA-N	324.695	1.965	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NC[C@H](c1ccco1)N1CCCC1	255381598	KKJFUBWDISVTFC-YBEMTRGBSA-N	303.362	1.977	50	20	DDGD	
COCCC1(C(=O)NNC(=O)c2cccc(OC)c2O)CCC1	268695568	STXVQRZZKALVNH-UHFFFAOYSA-N	322.361	1.369	50	20	DDGD	
COc1ccc([C@@H](C)CC(=O)NNc2nccn(C)c2=O)cc1	267457711	GUUCHIDIDZFGQK-NSHDSACASA-N	316.361	1.426	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)cc1	265079546	MMWXYCKBHFUHOB-RBSFLKMASA-N	318.373	1.343	50	20	DDGD	
COc1ccc(C)cc1CCNC(=O)NNC(=O)C1CCC1	264736295	KCLOSLDMZCJAGP-UHFFFAOYSA-N	305.378	1.677	50	20	DDGD	
N#CC1(C(=O)NNC(=O)c2ccc(Cl)cc2O)CCOCC1	265656635	YSATUDYLTFVLQV-UHFFFAOYSA-N	323.736	1.127	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(C(C)=O)cc1	272356640	PNGLAMMVKURCQP-NSHDSACASA-N	323.349	1.093	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNc1nccc(OC)n1	276519497	DPJIDLOLCGELDL-UHFFFAOYSA-N	303.322	1.344	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)CCc2nc(N(C)C)no2)c1	275592851	JUEMKIBWOOXLCA-UHFFFAOYSA-N	307.329	1.659	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2ccccn2)[C@]12CCCO2	368173856	NPANFSLECMRLDC-YWPYICTPSA-N	306.366	1.434	50	20	DDGD	
C#C[C@H](C)NC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	274810132	OPQLAWOYJYWKFK-ZJUUUORDSA-N	305.403	1.839	50	20	DDGD	
COC(=O)NNC(=O)c1cnc(OCC(C)C)c(Cl)c1	274315258	VRFUWYOPOVLXJS-UHFFFAOYSA-N	301.730	1.771	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@]2(C)CCCOC2)c1	272638953	NJJUFJKGYOYDBS-MRXNPFEDSA-N	306.362	1.338	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ncccc1OCCCC#N	276010336	APDYJKDQQARWNN-NSHDSACASA-N	319.365	1.963	50	20	DDGD	
N#Cc1cc(C(=O)NNc2nc(-c3ccncc3)no2)ccc1F	377818007	DLYJQSGHGXWXSX-UHFFFAOYSA-N	324.275	1.899	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNc1nc(-c2ccncc2)no1	377779252	PXZJDICAXVQZAJ-UHFFFAOYSA-N	319.324	1.799	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)COc2cc(C)cc(C)c2)C1	286503781	AFNFSMNUUDMKPW-UHFFFAOYSA-N	320.389	1.645	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1ccc(Cl)nc1Cl	288966711	QFSKAWRXHSDAFR-UHFFFAOYSA-N	314.150	1.280	50	20	DDGD	
COC(=O)N(C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl	286491842	VZEMYBSEGXOVNH-UHFFFAOYSA-N	301.686	1.520	50	20	DDGD	
NC(=O)c1ccccc1CCC(=O)NNC(=O)CC1CCCC1	280656693	SXLYHTQEZWZQOI-UHFFFAOYSA-N	317.389	1.446	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)CCC(=O)c1cnn(C)c1	281464294	DXPPBNZYKFFPEG-UHFFFAOYSA-N	304.325	1.974	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1CC[C@@H]1C(=O)OC)c1ccccc1	286203103	YAHXHIDDNXNKPY-MJBXVCDLSA-N	318.373	1.527	50	20	DDGD	
COC(=O)COCC(=O)NNc1cccc(C(F)(F)F)c1	287039889	HJMQJKLCLWVQCV-UHFFFAOYSA-N	306.240	1.338	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCC1CC(F)(F)C1	291640459	AHFYTLVPFFXVIQ-UHFFFAOYSA-N	315.295	1.744	50	20	DDGD	
CN(C)N(C(=O)CCCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1	808024602	MNISRMQALDDLAN-LBPRGKRZSA-N	320.455	1.074	50	20	DDGD	
COC(=O)c1ccc(C(=O)NN(C)C(=O)OC(C)(C)C)cc1	297595982	IRLVILSTQDGISD-UHFFFAOYSA-N	308.334	1.985	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@H]1CCCC(F)(F)C1	800334888	SWIWSRYWDCZPKB-QMMMGPOBSA-N	311.423	1.670	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cccc(C#N)c1)C(F)(F)F	808264523	FYAZGVCTVOVQBR-ZETCQYMHSA-N	300.240	1.453	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1scnc1Cl	807370283	XXUQSOPYJPJSFW-UHFFFAOYSA-N	321.786	1.347	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CCn2cccn2)n1	295004411	QEYQHGZAEHPYOU-UHFFFAOYSA-N	303.370	1.053	50	20	DDGD	
O=C(NNc1ncncc1Cl)C1CCN(CC(F)F)CC1	807323848	VIGYAHCUVMZFMD-UHFFFAOYSA-N	319.743	1.550	50	20	DDGD	
O=C(Cc1cccc(F)c1)NCC(=O)NNc1ncccc1F	804216988	NCKIAYNFBNEKCO-UHFFFAOYSA-N	320.299	1.162	50	20	DDGD	
C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)CC1CC1	294081124	HUWLFMWPMXGCNQ-NSHDSACASA-N	319.361	1.249	50	20	DDGD	
Cc1nc2ccc(NC(=O)NNc3nc4ccccn4n3)cn2n1	809896621	COXGIZCEYLVILU-UHFFFAOYSA-N	323.320	1.229	50	20	DDGD	
CN(C)C1(CNC(=O)NNc2cncc(Cl)n2)CCCC1	298630891	BOAZBMNMCIMBEG-UHFFFAOYSA-N	312.805	1.631	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H]2CNOC2)c1C	819756544	XXAZGJDNLGZYCP-LULHVWEPSA-N	303.362	1.869	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1cn(Cc2ccccn2)nn1	819849171	KSDABMLJOAUAAI-UHFFFAOYSA-N	314.176	1.597	50	20	DDGD	
CC[C@H](C)Oc1ccc(C(=O)NNC(=O)c2ccnnc2)cc1	817693718	VPZVTZAPWBDLQX-NSHDSACASA-N	314.345	1.729	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)COc1ccc(F)cc1	812529520	AWVGOJBZBUOSQW-MNOVXSKESA-N	312.341	1.271	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2ccc(C#N)o2)c1	815967985	SLIRJZRHGBMYLJ-UHFFFAOYSA-N	305.315	1.312	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)Nc2ccccc2C)on1	814806413	ACORUIBGROVXLS-UHFFFAOYSA-N	302.290	1.925	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@@H](CC(N)=O)C1	813841036	FZLVBESZCOIEAF-ALFJJAPYSA-N	301.321	1.457	50	20	DDGD	
O=C(CCCc1nc2ccccc2[nH]1)NNc1ncncc1F	817078220	ZWMHUDMAVJNDCW-UHFFFAOYSA-N	314.324	1.958	50	20	DDGD	
Nc1cc(C(=O)NN=C2COc3ccccc32)cc([N+](=O)[O-])c1	814753667	UTIHYLQPGBZCBX-UHFFFAOYSA-N	312.285	1.704	50	20	DDGD	
C[C@@H](C(=O)NN(C)C1CC1)N1CCN(c2ccc(F)cc2)CC1	819646460	AARQZLBSGYTAJC-ZDUSSCGKSA-N	320.412	1.462	50	20	DDGD	
Cc1cc(CC(=O)NN=C2CCCc3nc(N)sc32)n[nH]1	814788078	BCTJTUOCFXDSTP-UHFFFAOYSA-N	304.379	1.156	50	20	DDGD	
COc1ccc(C(=O)N2CCC[C@H]2C(=O)NN(C)C2CC2)cc1	819652639	YDPKMINAGBBKLB-HNNXBMFYSA-N	317.389	1.425	50	20	DDGD	
CN(NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)C1CC1	819640917	GYQQOKVLFSPTHA-UHFFFAOYSA-N	302.783	1.483	50	20	DDGD	
COc1ccc(O)c(C(C)=NNC(=O)N=c2cc[nH]cc2)c1	815001925	ZMDGQFNWJYLBEI-UHFFFAOYSA-N	300.318	1.763	50	20	DDGD	
Cc1c(C(=O)NNc2nc[nH]n2)[nH]c2c1C(=O)CC(C)(C)C2	816633118	OLSABDNENDFEHJ-UHFFFAOYSA-N	302.338	1.353	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)[C@@H]2COc3ccccc3O2)C1	819802035	XHTBCKVFBWGUKJ-SBNLOKMTSA-N	318.329	1.272	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=CCCc1ccc2c(c1)OCCO2	814954070	VEHRIELFBOUEGY-UHFFFAOYSA-N	314.345	1.458	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H](C)c2ccccc2C)n[nH]1	823368752	OHLXTFKUUNZCQT-LBPRGKRZSA-N	300.362	1.520	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cccc(Cl)c1	726075871	IKAHXBCICLEKDB-UHFFFAOYSA-N	315.826	1.828	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(Br)ccc1F	823988976	YULQMQOAAXMPQE-ZETCQYMHSA-N	305.147	1.546	50	20	DDGD	
COc1ncc(/C=C\C(=O)NNc2ncncc2Cl)cn1	492735108	LUIZQKCUMZGRJY-IHWYPQMZSA-N	306.713	1.085	50	20	DDGD	
O=C(CC1CCCC1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	826404090	NYUFBJBBGPQMET-UHFFFAOYSA-N	321.772	1.939	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC[C@@H](c2ccncc2)C1	829824551	SGYUCHIFYPAVFJ-CQSZACIVSA-N	304.394	1.064	50	20	DDGD	
Cc1nc(O)ccc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	826327710	RFGDFZVMBIWYHC-UHFFFAOYSA-N	311.305	1.033	50	20	DDGD	
O=C(NCC(F)(F)F)NN=Cc1ccc(-c2nn[nH]n2)s1	823162387	UHXQLKZGOOKGGW-UHFFFAOYSA-N	319.272	1.124	50	20	DDGD	
COc1ccc(CN(CC(=O)NNC(=O)C(C)C)C2CC2)cc1	827299916	WRMWAGDACRAROX-UHFFFAOYSA-N	319.405	1.463	50	20	DDGD	
C=CCOCC(=O)NNC(=O)c1cccc(OC(F)F)c1	729372195	RAIABTXVGMQZFH-UHFFFAOYSA-N	300.261	1.252	50	20	DDGD	
CC(C)NC(=O)Nc1ccccc1C(=O)NN(C)[C@H](C)CO	823982894	GNYPOVNHLYYVSX-LLVKDONJSA-N	308.382	1.174	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)COc1ccc(OC)cc1)C1CC1	822572428	LRINUYGFTYHACT-CQSZACIVSA-N	321.377	1.593	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCc1nc(-c2ccsc2)no1	823982746	CWUXZMKUCMVOKJ-VIFPVBQESA-N	310.379	1.075	50	20	DDGD	
CCN(CCO)NC(=O)[C@H](O)c1cccc(C(F)(F)F)c1	823884849	MHDZATIQAWCCCU-LLVKDONJSA-N	306.284	1.084	50	20	DDGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CC[C@H](B(O)O)C1	585076763	OBXOEAOZIZGYQT-ZDUSSCGKSA-N	317.173	1.677	50	20	DDGD	
COc1ccccc1C(C)(C)CNCc1cccc(B(O)O)c1	585021426	VKEKWAPYXZHVLM-UHFFFAOYSA-N	313.206	1.442	50	20	DDGD	
C[C@@H](CCc1ccc(F)c(F)c1)NCc1ccccc1B(O)O	585024398	VWXMFLSRPCVDQY-LBPRGKRZSA-N	319.160	1.756	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)n1cccc1	824385647	YGKQWYMCXPLKMJ-NSHDSACASA-N	311.349	1.763	50	20	DDGD	
CCN(c1ccc(C(=O)N2CC[C@H](B(O)O)C2)cn1)C(C)C	585070549	ZMWTXVBIQZQMGS-ZDUSSCGKSA-N	305.187	1.005	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCC(C)(C)c2ccncc2)cn1	828241939	ZNHHLHQDIAWONF-ZSOIEALJSA-N	309.373	1.816	50	20	DDGD	
CCCNC(=O)NN=C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2	497021116	XAJRQDUAUXQQNE-IAQYHMDHSA-N	310.398	1.938	50	20	DDGD	
CO[C@H](c1ccc(F)cc1)[C@@H](C)NCc1cccc(B(O)O)c1	585035738	XLLMBAWNGFTVMJ-PXAZEXFGSA-N	317.169	1.371	50	20	DDGD	
CN(CC(=O)NNC(=O)NCCc1cccs1)C1CCC1	900384615	JBEJQHZRIULCCY-UHFFFAOYSA-N	310.423	1.105	50	20	DDGD	
COC[C@H](SCC(=O)NNC(=O)C1CC1)c1ccccc1	901659940	APVACLMAGRQHPH-ZDUSSCGKSA-N	308.403	1.665	50	20	DDGD	
CC1=NO[C@H](C(=O)NNC(=O)c2cccc(OC(F)F)c2)C1	826011843	JNPVJPZIDVMSIY-JTQLQIEISA-N	313.260	1.214	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1cc2c(nc1O)CCC2	733650989	BNAIRHOORCSBPN-UHFFFAOYSA-N	306.366	1.152	50	20	DDGD	
CCN(CCO)NC(=O)c1cn(C)nc1-c1cc(F)ccc1F	823829266	PZLMLTSYIAOQGH-UHFFFAOYSA-N	324.331	1.324	50	20	DDGD	
OB(O)c1ccc(CN[C@@H](c2cccnc2)C2CC2)c(F)c1	585031253	BNCVNKLKEIMSPV-MRXNPFEDSA-N	300.142	1.141	50	20	DDGD	
CCC1CCC(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)CC1	825963454	CSOXIVPTIMDMHI-ABXWRUBCSA-N	311.426	1.958	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(NC(=O)C2CC2)cc1	494466362	AKBQRLDCBMBWML-UHFFFAOYSA-N	306.322	1.818	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F	495691933	FECBOYNAMRUTQF-UHFFFAOYSA-N	319.220	1.539	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNC(=O)c1cccc2cccnc12	732280810	QBHVTBRHFZQPAV-AWEZNQCLSA-N	312.373	1.480	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)/C=C/c2ccc[nH]2)c1	491957165	BTLZTPKHPVIYGZ-BQYQJAHWSA-N	305.359	1.575	50	20	DDGD	
Cc1cc(C)cc(NC(=S)NNC(=O)c2cnn(C)c2)c1	735417242	RFNLZJGEEPLSLV-UHFFFAOYSA-N	303.391	1.668	50	20	DDGD	
CCC(=O)NN=C1CCOC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C	495367059	MMADNGMDUAXSDA-WDEREUQCSA-N	313.398	1.818	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CCn3nccc32)cc(C#N)n1C	490968431	BUKLWEPBQMXKAK-QPEQYQDCSA-N	306.329	1.355	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@H]1CSc2ccccc21	735586164	LFRHFLMIDQYYET-NSHDSACASA-N	302.359	1.806	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C	495959128	ZAFJEPIWVMLSBG-NXEZZACHSA-N	316.402	1.275	50	20	DDGD	
CN(NC(=O)CS(=O)(=O)C1CCCC1)C(=O)OC(C)(C)C	496025309	BQPOZXDKFIMROR-UHFFFAOYSA-N	320.411	1.242	50	20	DDGD	
O=C(CCCn1ccccc1=O)NNC(=O)NC1CCCCC1	735029355	VGRYNTRPKJNNMW-UHFFFAOYSA-N	320.393	1.292	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccnc2C)cc1OC	730960171	MZJJZLYCEVKCOU-UHFFFAOYSA-N	315.329	1.482	50	20	DDGD	
CCCCn1ncc(NC(=O)c2ccc(B(O)O)c(F)c2)c1C	584964355	GMXIYUMDULGKCW-UHFFFAOYSA-N	319.145	1.063	50	20	DDGD	
CCc1cc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)ccc1F	831793653	WQWAIPQYANBUKH-SKDRFNHKSA-N	309.341	1.966	50	20	DDGD	
O=C(NCB(O)O)c1ccc(Sc2ccccc2Cl)nn1	585060751	XVZYOJAWAAUHRY-UHFFFAOYSA-N	323.570	1.023	50	20	DDGD	
CC[C@H](Nc1ccccc1)C(=O)NNC(=O)c1cnn(C)c1	735471112	OURSGHWVLHBPAS-ZDUSSCGKSA-N	301.350	1.072	50	20	DDGD	
CC(C)[C@@H](CNCc1ccc(B(O)O)cc1)Nc1ccccc1	585015221	SYMIKJUEVVWZRL-GOSISDBHSA-N	312.222	1.593	50	20	DDGD	
COC[C@@H](OC)C(=O)NNc1ccc(Br)cc1F	830781514	CBKAUQSABYCMRD-SNVBAGLBSA-N	321.146	1.693	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)COc2ccccc2F)n1	834922227	NMHXRGBMILEJPH-UHFFFAOYSA-N	305.313	1.275	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cc(C(=O)O)c(C)o1	736899334	IELWNUBAJWOLSG-UHFFFAOYSA-N	309.322	1.041	50	20	DDGD	
Cc1csc(CCCC(=O)Nc2cccc(B(O)O)c2)n1	584914061	ORAXXUWILYBVHR-UHFFFAOYSA-N	304.180	1.093	50	20	DDGD	
CC(C)CN(CC(=O)NNC(=O)C1CC1)Cc1ccccc1F	733194801	OMJZMENTZRDDGW-UHFFFAOYSA-N	321.396	1.841	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H](c1ccccc1)N1CCSCC1	910170161	ZKAABEZLNYEWRV-ZFWWWQNUSA-N	323.462	1.120	50	20	DDGD	
COc1ccc(F)cc1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	831599963	WNMOBEFHLNAWCI-WPRPVWTQSA-N	311.313	1.412	50	20	DDGD	
CCOc1ccc(CC(=O)NNc2ccc(C(=O)O)cn2)cc1	833664467	SYUUWGKBCIRDBM-UHFFFAOYSA-N	315.329	1.864	50	20	DDGD	
C[C@H]1CCCCN1C(=O)COC(=O)/C(C#N)=C\c1cnn(C)c1	837969918	VBLKEJBEQWBXAX-OBTCNRAFSA-N	316.361	1.271	50	20	DDGD	
CC(=O)OCC(C)(C)CC(=O)NNc1ncc(F)cc1F	837208498	LHZJYPGJDVBYQG-UHFFFAOYSA-N	301.293	1.782	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNC(=O)CC(F)(F)F	915261581	QJYJITPCDXLAMH-UHFFFAOYSA-N	301.224	1.037	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCCc2nc(C)sc21	748259461	VXGOIRIYQOMIRK-SECBINFHSA-N	311.407	1.660	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H]1CCc2cncn2C1	844141679	LELVVFJYDMWBTC-LLVKDONJSA-N	315.333	1.805	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cnc(F)c(Br)c1	847290216	WBOWCKJNXADTHG-UHFFFAOYSA-N	304.119	1.400	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ncc(Br)cn1)[C@@H](C)N	848436245	KPCWRVPMZRTJRY-VXNVDRBHSA-N	316.203	1.302	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	746090610	GTYIPRCKPWROOV-GHMZBOCLSA-N	320.349	1.229	50	20	DDGD	
COC(=O)/C=C\c1ccc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)o1	848412812	CTSJBUHRMJQUPP-BQQGNYJASA-N	306.318	1.341	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1C2CC3CC(C2)CC1C3	843649942	XYSSILCOQDQWEO-GPIFJYJGSA-N	306.406	1.631	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCCCOc1ccccc1	918059885	UUCCMGOTXRIBPF-UHFFFAOYSA-N	319.283	1.738	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCC[C@H](CO)[C@H]1C	841584347	IAHPJECUBPUYGD-VXGBXAGGSA-N	321.377	1.142	50	20	DDGD	
CCn1nc(C2CC2)cc1C(=O)NNc1nccnc1OC	910585266	VQXGBPQJAPCJPL-UHFFFAOYSA-N	302.338	1.336	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2cnn3cccnc23)o1	746298773	JGKNEUKWZKHDBR-UHFFFAOYSA-N	311.305	1.469	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(N2CCCCCC2)nc1	910163538	DYUGTBUYGYZGQQ-CYBMUJFWSA-N	306.410	1.419	50	20	DDGD	
O=C(C[C@H]1CCOC1)NNc1ccc(Br)nc1	740086214	UCDWNFZDANTXMY-MRVPVSSYSA-N	300.156	1.714	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)Cc1cn2ccccc2n1)C1CC1	746545165	HWTJDJGYJHKEFV-NSHDSACASA-N	300.362	1.460	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1cccnc1	843654707	JYJWUKJARRCPEV-UBHSHLNASA-N	305.378	1.394	50	20	DDGD	
COc1cccc2cc(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)oc12	843646094	OVRHFRCXDXYMGR-GXSJLCMTSA-N	318.329	1.627	50	20	DDGD	
C[C@@H](C(=O)NN=c1sc2ccccc2n1C)c1cnn(C)c1	749887031	FODWVISOVQALCW-SNVBAGLBSA-N	315.402	1.709	50	20	DDGD	
Cc1n[nH]c(C)c1CCC(=O)NNC(=O)c1ccc(Cl)nc1	917253542	SMGJIRKDNKURIE-UHFFFAOYSA-N	321.768	1.469	50	20	DDGD	
CCOc1ccc(C(=O)NN=Cc2c[nH]nc2C)cc1OC	915951023	WOCAYBSPYVSJAP-UHFFFAOYSA-N	302.334	1.889	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)C2CC2)[C@@H](c2ccccc2)CO1	744427921	AFWXMXZDXIGUCN-IUODEOHRSA-N	317.389	1.006	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1nc2cc(Cl)ccc2n1C	749158304	PEHNBVBADYHDMG-UHFFFAOYSA-N	307.785	1.629	50	20	DDGD	
CCN[C@H](C)CNC(=O)NNC(=O)[C@H](CC)c1ccccc1	841984677	GBXJWIIUKOZKDS-TZMCWYRMSA-N	306.410	1.509	50	20	DDGD	
CO[C@@]1(C=NNC(=O)Cc2nc3ccccc3n2C)CCOC1	841610846	UEQMCABUZBVRRL-MRXNPFEDSA-N	316.361	1.023	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)NC1CCOCC1	847292393	VVGBWUIHOYDYCK-UHFFFAOYSA-N	316.159	1.044	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=Cc1cnnn1CC	841606176	BCOMBOKTQMMLIP-UHFFFAOYSA-N	317.349	1.226	50	20	DDGD	
CCC(CC)(CO)C(=O)NNc1ccc(CC(=O)OC)cc1	848240363	FPDYGAXTDADVDS-UHFFFAOYSA-N	308.378	1.644	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cccc(C(F)(F)F)c1O	847395447	VUYOBSZRFHEYLA-UHFFFAOYSA-N	305.256	1.765	50	20	DDGD	
CC(=NNC(=O)C(N)=O)c1ccc(SCC(F)F)cc1	741757746	UAWNSPYKOYOTSM-UHFFFAOYSA-N	301.318	1.369	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C[C@@H]2CCOC2)c(C)c1	740086267	XZMTZRYIYRFSBM-ZDUSSCGKSA-N	305.378	1.289	50	20	DDGD	
CCCC(C)(C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C	845920566	FIIWFJUXRMKKQM-UHFFFAOYSA-N	301.387	1.485	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1cccc(Cl)c1F	843654366	HMXIVFOLSROQKG-WPRPVWTQSA-N	314.744	1.594	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1	921301695	CASUXZMBTVALOH-UHFFFAOYSA-N	317.305	1.198	50	20	DDGD	
CCN(CC)C[C@H](C)NC(=O)NNC(=O)c1ccccc1F	921121896	QMSSKHDHOGCDPD-NSHDSACASA-N	310.373	1.500	50	20	DDGD	
Cc1ccc(C(C)(C)CNC(=O)NNC(=O)c2cn[nH]c2)cc1	858187324	SLVKRIBPYLATOA-UHFFFAOYSA-N	315.377	1.640	50	20	DDGD	
COC(=O)[C@@H]1[C@@H](O)CCCN1C[C@H](CBr)C1CC1	859269159	KGXACNJVDPCIEY-SRVKXCTJSA-N	320.227	1.406	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)c1	929243996	DTAUBEIMSAFJSS-AIDNBVJZSA-N	314.385	1.813	50	20	DDGD	
O=C(NN=Cc1cc[nH]n1)c1cc(Br)ccc1O	755745927	PEPZZQMKFCVGAJ-UHFFFAOYSA-N	309.123	1.642	50	20	DDGD	
CC(C)n1ncc(C(=O)NNC(=O)c2ccccc2F)c1N	757690452	MRWRSFKLYGJIHL-UHFFFAOYSA-N	305.313	1.260	50	20	DDGD	
Cc1ncc(NC(=O)NNC(=O)c2ccc3ccccc3n2)cn1	756372755	UBPORKRAXPMSMN-UHFFFAOYSA-N	322.328	1.800	50	20	DDGD	
CNC[C@@H](C)NC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	851679909	FPOFFGRHBZYYIY-SFCYXTAJSA-N	322.453	1.531	50	20	DDGD	
Cc1cc(C=NNC(=O)C(=O)Nc2ccccn2)ccc1F	758390188	NCTSKURLZNCUPL-UHFFFAOYSA-N	300.293	1.618	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)nc1	752992837	CJSBPHAHBJVLLY-UHFFFAOYSA-N	313.313	1.236	50	20	DDGD	
CN(C)C(=O)c1ccc(NC[C@]2(C)C[C@H]2Br)nn1	856786824	KAFSAAROZFRHJW-SKDRFNHKSA-N	313.199	1.764	50	20	DDGD	
CCCC[C@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C(C)C	856744086	GCGGRHFOJXUGPW-RYUDHWBXSA-N	318.439	1.031	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](C)n1ccc2ccccc2c1=O	854919712	BZVGQBQZRQDARG-JTQLQIEISA-N	318.402	1.030	50	20	DDGD	
Cn1cc(C(=O)NN=C2C[C@@H](Oc3ccccc3)C2(C)C)nn1	853384880	XDEVXVRGKWEFCZ-CQSZACIVSA-N	313.361	1.778	50	20	DDGD	
CC[C@@H](C)Oc1cc(C(=O)NNC(=O)c2cc[nH]n2)ccn1	855357664	OMZLSFRHNGGUKD-SECBINFHSA-N	303.322	1.057	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H]2CN(C)CCN2C)cc1F	853719577	PTVSSOBPJJXHEF-CYBMUJFWSA-N	309.389	1.006	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N(C)C[C@H]2CCCOC2)c1	858706690	ZLPFJEVYVODHQS-LLVKDONJSA-N	311.407	1.769	50	20	DDGD	
CCO[C@@H]1COC[C@H]1NC(=O)NNc1ccc(F)c(F)c1	922776242	SQYVQZDCTBAXCE-VXGBXAGGSA-N	301.293	1.395	50	20	DDGD	
Cc1cc(C)n([C@@H](C)CC(=O)NNc2cc(Cl)nc(N)n2)n1	753457539	MIFSJLYOYZKKSL-VIFPVBQESA-N	323.788	1.620	50	20	DDGD	
CC[C@H](NC(=O)NNc1nc(C)cc(OC)n1)[C@@H]1CCCO1	756102969	DYYOVNYUAMUBOZ-QWRGUYRKSA-N	309.370	1.377	50	20	DDGD	
CC(=O)Nc1cccc(NC(=O)NNC(=O)CC(F)(F)F)c1	755494615	MFBLRHOZOFDJPG-UHFFFAOYSA-N	318.255	1.750	50	20	DDGD	
CC(C)[C@@H](O)C(=O)NNc1cc(C#N)ccc1Br	855618273	YZXGNVVBRAWXGR-LLVKDONJSA-N	312.167	1.781	50	20	DDGD	
C[C@]1(CNC(=O)CCCS(C)(=O)=O)C[C@H]1Br	857399248	VPSHXMQSURNHSX-PSASIEDQSA-N	312.229	1.101	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)C2CCCC2)C[C@H](C(F)(F)F)O1	753339570	KISKFXJPBFMIQJ-WCBMZHEXSA-N	323.315	1.569	50	20	DDGD	
CCn1ncc(C)c1NC(=O)C(=O)NNc1ccccc1C	850421005	QASXUAXZFAWCTQ-UHFFFAOYSA-N	301.350	1.602	50	20	DDGD	
CC(C)CN1C[C@H](C(=O)NNc2ccnc(Cl)c2)CC1=O	855469058	RLZZAKHRUCQXLO-SNVBAGLBSA-N	310.785	1.683	50	20	DDGD	
CC[C@](C)(NC(=O)NNC(=O)c1ccnnc1)C(F)(F)F	933514095	ZNGSYHITYNNKIX-JTQLQIEISA-N	305.260	1.152	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@@H]1CCCN2CCCC[C@H]12	856919553	GFYLJWNYKQQBDF-VXGBXAGGSA-N	324.816	1.773	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC[C@@H](c2nc[nH]n2)C1	867431736	URRAAGJQXGAGBY-SECBINFHSA-N	306.819	1.189	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc(C)c1Cl	861065796	GEWKNQMOPMEJAS-JTQLQIEISA-N	324.768	1.388	50	20	DDGD	
O=C(NCc1cccc2[nH]ccc12)NNC(=O)[C@@H]1CCCCO1	869216934	IYLZBKJDIFHUAY-AWEZNQCLSA-N	316.361	1.567	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H](CC(C)C)N2CCCCC2=O)cc[nH]1	862513209	PRTYUKWGRAAIRR-HNNXBMFYSA-N	318.421	1.682	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H]2CCC(=O)N2)cc1Br	863148152	VANJXEQSBDEBHJ-LLVKDONJSA-N	324.178	1.486	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)COc2c(C)nn(C)c2C)c1	862478664	LQXASOBYAMHVBD-UHFFFAOYSA-N	322.390	1.247	50	20	DDGD	
CCCO[C@H](C(=O)NNC(=O)NCC)c1ccc(F)cc1C	930731471	BAOGCNMFIINZHM-ZDUSSCGKSA-N	311.357	1.952	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@H]1CCCc2cccnc21	768204480	KEYIVQSPEWZSAB-VIFPVBQESA-N	301.268	1.601	50	20	DDGD	
CC[C@H](SC)C(=O)OCC(=O)NNC(=O)c1ccccc1	767682569	GHIPJDSIHANUKE-NSHDSACASA-N	310.375	1.132	50	20	DDGD	
Cc1cc(C(=O)NN[C@@H](C)C(F)(F)F)c2c(C)n[nH]c2n1	862308899	JCGFXMDVEGUYPT-ZETCQYMHSA-N	301.272	1.760	50	20	DDGD	
C#CCN1CCC(C(=O)NNCC(F)(F)C(F)(F)F)CC1	863094872	WNVYNERSRLNKLH-UHFFFAOYSA-N	313.270	1.150	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2ncnc3ccsc23)CCN1C	765822870	CWWCFEZMKXZLFU-NXEZZACHSA-N	320.422	1.800	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc2cc[nH]c2c1	863096137	WYUMSUODNOIYAK-UHFFFAOYSA-N	300.362	1.923	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H](O)[C@@H]2CCCC[C@H]21)c1ccccc1	868003900	IGHRXQFRUJMQJO-KFWWJZLASA-N	317.389	1.666	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1C[C@H]1c1ccco1	863869712	QYTOASPLXYCCJG-GHMZBOCLSA-N	320.370	1.930	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)O)CN(S(=O)(=O)CC(C)(C)CCl)C1	864495959	ODIMADVALQVXPN-NXEZZACHSA-N	311.831	1.624	50	20	DDGD	
O=C(NNc1cccc(F)c1Cl)[C@H]1CCc2nncn2C1	862508735	XPHCIPCPTKGDIP-QMMMGPOBSA-N	309.732	1.776	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1cccc(Cl)c1	862456758	SOBPPCKXQLUFJO-CRALRDPISA-N	321.764	1.169	50	20	DDGD	
C/C(=C\c1ccccc1Cl)C(=O)NNC(=O)[C@@H]1CCC(=O)N1	862457557	LJERTFNLOCYKOT-BCPZQOPPSA-N	321.764	1.169	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNc2nc(O)c3ccccc3n2)[C@@H]1C	863895825	WSRNRAOZDUCBTI-BSTOTGJRSA-N	316.361	1.838	50	20	DDGD	
C[C@H]1CN(CCCNC(=O)NNc2ccccc2)CCCO1	764573534	MFXISPWZJCAFAB-AWEZNQCLSA-N	306.410	1.814	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc2c(c1)SCC(=O)N2)C(F)(F)F	862321624	ZAMDVKSDNUGWPX-ZCFIWIBFSA-N	319.308	1.916	50	20	DDGD	
O=C(CCc1cncc2ccccc12)NNC(=O)Cc1cc[nH]n1	765494457	FINZQIJAOAMNPC-UHFFFAOYSA-N	323.356	1.281	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)CC(F)(F)F)cc1C	767892807	WRQVMSMUUYJEIQ-UHFFFAOYSA-N	320.267	1.482	50	20	DDGD	
COc1ccccc1CC(C)(C)C(=O)NNC(=O)C(C)(C)O	768246528	KPRSZAAVYDCUPL-UHFFFAOYSA-N	308.378	1.182	50	20	DDGD	
O=C(CC[C@@H]1CCCNC1)NNc1ncnc2ccsc12	1118753265	VLGZXJWHXZTMIY-JTQLQIEISA-N	305.407	1.914	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc(N2CCCCC2=O)c1	878185442	LALGVPMLJYMURV-UHFFFAOYSA-N	320.393	1.818	50	20	DDGD	
C[C@H](NC(=O)c1ccco1)C(=O)OC[C@@H](C)CBr	770305560	PZILDPBSLYVXIE-IUCAKERBSA-N	318.167	1.972	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)C2=CCOCC2)c1	874946454	JXZLXKMNEMEHRY-UHFFFAOYSA-N	309.366	1.798	50	20	DDGD	
COCCN(C)NC(=O)Nc1cnc(C(F)(F)F)cc1OC	879365247	JAIHKELSBXMMGP-UHFFFAOYSA-N	322.287	1.724	50	20	DDGD	
Cc1ccsc1C(=O)NNc1nc(O)c2cnn(C)c2n1	770979424	DTPTXPKDMGURTO-UHFFFAOYSA-N	304.335	1.196	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H]2c3c[nH]nc3CC[C@H]2C)n1	878039025	VUPRLQWBUFUFGU-AMIZOPFISA-N	300.366	1.626	50	20	DDGD	
O=C(COC(=O)C1[C@@H]2CCC[C@@H]12)NNC(=O)c1cccs1	776696551	VEQLTBHTINYLOD-RKDXNWHRSA-N	308.359	1.098	50	20	DDGD	
COc1ccc(C(=O)NN(C)C(N)=O)cc1Br	778416500	AGDWWSBNLOAELW-UHFFFAOYSA-N	302.128	1.113	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)c1nc2ccccc2s1)N(C)C	874913105	CWPHNKYKISBYQD-GFCCVEGCSA-N	320.418	1.644	50	20	DDGD	
C=CCCCCNC(=O)NNc1ccc(-n2cccn2)nn1	771378330	YTNYFZKXWHUSIP-UHFFFAOYSA-N	301.354	1.645	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@H]2CC[C@H](C)C2)nc1C	778425590	BUQDELPCSVQXQQ-ONGXEEELSA-N	306.366	1.841	50	20	DDGD	
O=C(NNc1ccc(F)cc1Cl)C1(CO)CCOCC1	885138582	CRBUQLQLXJBSOK-UHFFFAOYSA-N	302.733	1.711	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C2(F)CCCC2)nc1C	773636473	FVNYLNCLWJKNBL-UHFFFAOYSA-N	310.329	1.687	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)COc1ccccc1CC	771895141	WGUQKBMDSPLFOM-NSHDSACASA-N	322.361	1.117	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNC(=O)C2CCOCC2)cc1	883066596	CJMMDLLSZKVKNF-LBPRGKRZSA-N	320.389	1.448	50	20	DDGD	
CC(C)=C[C@@H]1[C@@H](C(=O)NNC(=O)N2CCN(C)CC2)C1(C)C	788168926	HFXXQIKUVIWQDN-OLZOCXBDSA-N	308.426	1.213	50	20	DDGD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NNc1ccc(F)c(F)c1	885110405	BDIGPBFRJLYBHM-ONGXEEELSA-N	300.305	1.992	50	20	DDGD	
CCOC(=O)N1CCCN(S(=O)(=O)CCCCl)CC1	881845776	VLEMUDBQHDLLBU-UHFFFAOYSA-N	312.819	1.109	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1nn(-c2ccc(F)cc2)cc1O	780711200	HPAFXUPXXQBORT-UHFFFAOYSA-N	321.312	1.023	50	20	DDGD	
COc1cc(C(=O)NN=C(C)[C@H]2CCCO2)cc(OC)c1OC	783779244	WBARDVFVPCDLDR-GFCCVEGCSA-N	322.361	1.997	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)CBr)CCCC[C@H]1O	782467842	GXONIPKWQOLBAX-BDAKNGLRSA-N	300.218	1.199	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cc(Cl)cs1	782171500	ZPSHIEASSXCYQM-JTQLQIEISA-N	315.826	1.820	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCN1C1CCCC1)c1cccnc1	788265476	VBGKOEPMVPBAAU-HNNXBMFYSA-N	316.405	1.640	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccn(CC(C)C)n2)n1	890335673	UUWSLOZIDLYSLL-UHFFFAOYSA-N	301.350	1.317	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNC(=O)Cc1c[nH]c2ccccc12	784295764	YMEXRJDWVJPZOH-UHFFFAOYSA-N	310.357	1.819	50	20	DDGD	
COc1cccc(C=NNC(=O)COc2ccccc2F)n1	790143374	HCYNTIGRWJKRKJ-UHFFFAOYSA-N	303.293	1.758	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](O)Cc2ccccc2)c1	793790507	NWJXGXXURCSRHH-HNNXBMFYSA-N	314.341	1.520	50	20	DDGD	
C=CCCOCCCCC(=O)NNC(=O)c1cccc(C)n1	794084451	FAYSEIYGGIQYBW-UHFFFAOYSA-N	305.378	1.914	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2cccc(N(C)C)n2)n1	797643882	LJVOLUDGEXZLNP-UHFFFAOYSA-N	314.349	1.318	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	792893404	UNURUKJUTMWZCP-HZMBPMFUSA-N	322.361	1.280	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)c2ccc(N)cc2)[nH]c1C	799465794	PPBFMHRVMGFDCK-UHFFFAOYSA-N	314.345	1.846	50	20	DDGD	
C[C@H](Oc1ccc(C=NNC(=O)NCC2CC2)cc1)C(=O)O	794903843	QRDREDPDKLOTQJ-JTQLQIEISA-N	305.334	1.582	50	20	DDGD	
CC[C@@H](C)CC[C@H](O)CC(=O)NNC(=O)Cc1cccnc1	793422657	BVHVMVQUBZIBIE-OCCSQVGLSA-N	307.394	1.349	50	20	DDGD	
CC(C)(C)N1CC[C@@H](CNS(=O)(=O)CBr)C1	692974728	BRJPFDLCWZSKKP-VIFPVBQESA-N	313.261	1.379	50	20	DDGD	
O=C(CCc1nc[nH]n1)NNc1cncc(Br)c1	1319761557	GKJNMGXNFVWRSX-UHFFFAOYSA-N	311.143	1.038	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)C2CCNCC2)c(C)c1	1327471420	URHMIMFLEGEWLS-UHFFFAOYSA-N	304.394	1.133	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1c[nH]c(Br)c1	1321448281	FHGNYNOZQLLJMW-UHFFFAOYSA-N	324.138	1.061	50	20	DDGD	
CC1(OCC(=O)NNC(=O)c2n[nH]c3c2CCCC3)CCC1	1334418549	AKFKYJNPCYYQOS-UHFFFAOYSA-N	306.366	1.009	50	20	DDGD	
COC(=O)c1ccccc1C(=O)NNC(=S)NC(C)(C)C	1335493947	SNZZQNDSJSHSFZ-UHFFFAOYSA-N	309.391	1.381	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H](C)[C@@H]2CCC(=O)N2)c1	1332406566	CZXDUIZFPFADPW-JQWIXIFHSA-N	320.418	1.227	50	20	DDGD	
Cc1c(C(=O)NNc2ccccn2)nnn1Cc1ccncc1	1345432126	FWOYQJFCNNHWKI-UHFFFAOYSA-N	309.333	1.182	50	20	DDGD	
Cc1n[nH]c(C)c1CNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	1347064943	NMVJGLHIKNCCHP-RZNTYIFUSA-N	322.372	1.769	50	20	DDGD	
N#CC1(CNC(=O)NNc2ncc(F)cc2F)CCOCC1	1346722495	UBWWXTBYTPIMNX-UHFFFAOYSA-N	311.292	1.306	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N2CC[C@H](CF)C2)C[C@H]1Br	1353782243	GJYSCHNDZVYOQH-KBVBSXBZSA-N	321.190	1.094	50	20	DDGD	
C[C@H]1[C@@H](NC(=O)NNc2ccc(F)c(C(=O)O)c2)CCN1C	1604647425	XPXFFVOHOBLWQL-UFBFGSQYSA-N	310.329	1.243	50	20	DDGD	
Cc1c(NNC(=O)NCC2(N(C)C)CCC2)cccc1C(=O)O	1600050563	GCLQKMLJMKEZMO-UHFFFAOYSA-N	320.393	1.804	50	20	DDGD	
O=C(CC[C@@H]1C[C@H](C(=O)O)CO1)NNc1cccc(F)c1F	1601284840	HCYYUKLZXKHBFM-DTWKUNHWSA-N	314.288	1.678	50	20	DDGD	
O=C(NNC(=O)C(=O)O)N[C@@H](c1ccccc1)C1CCCC1	1608478415	YAYSOMVOZFEPOP-LBPRGKRZSA-N	305.334	1.333	50	20	DDGD	
Cn1nc(C2CC2)cc1C(=O)NNc1cccc(C(=O)O)c1	1601013453	UYCFNCJENOOQTC-UHFFFAOYSA-N	300.318	1.753	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cn3c(n2)CCCC3)nc1	1602384846	YOHLGWVBLHYMCN-UHFFFAOYSA-N	301.306	1.070	50	20	DDGD	
O=C(NNc1cc(O)nc2ncccc12)c1c[nH]c(C(=O)O)c1	1601554356	YQUXMFLJWMFATG-UHFFFAOYSA-N	313.273	1.119	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H](C(=O)OC[C@H](CBr)C2CC2)O1	1608804599	PECIJJHFIIFCDS-LPEHRKFASA-N	321.167	1.583	50	20	DDGD	
O=C(O)c1ccc(O)c(C=NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)c1	1602385637	SSLSUSXJKIMPQF-NQBHXWOUSA-N	304.302	1.108	50	20	DDGD	
O=C(O)c1cc(NNC(=O)C2(Br)CC2)ccc1F	1608856883	WNQFAHHMHABCEA-UHFFFAOYSA-N	317.114	1.895	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NNc1cccc(C(=O)O)c1	1603021250	YJTNGVWJDLROHP-CYBMUJFWSA-N	305.334	1.229	50	20	DDGD	
O=S(=O)(CCCCCl)NC[C@@H]1Cc2ccccc2O1	163442089	FBRNXKBVIHXFLB-LBPRGKRZSA-N	303.811	1.929	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)cc1F	1549318432	PQUUMLFDKXDMCF-DZGCQCFKSA-N	305.353	1.447	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2ncoc2[C@H]2CCCO2)c1	1610848620	OAGNAWYYVKOCPM-LLVKDONJSA-N	317.301	1.981	50	20	DDGD	
O=C(NN=CC1Cc2ccccc2C1)[C@H]1CN2CCC[C@@H]2CO1	1549320721	NKQOSFIZFVNEGQ-IAGOWNOFSA-N	313.401	1.367	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H](N)c1ccc(Br)cc1	1578823173	RPIJIVFTZVAQAW-VIFPVBQESA-N	316.155	1.178	50	20	DDGD	
C[C@@](N)(C(=O)NNc1ccccn1)c1cccc([N+](=O)[O-])c1	1576086448	SEEUZEBTDLYLNV-AWEZNQCLSA-N	301.306	1.307	50	20	DDGD	
Nc1cccc(CC(=O)NNC(=O)[C@@H]2CCCCO2)c1Cl	1580455229	OTELIXUSOFWBTB-NSHDSACASA-N	311.769	1.181	50	20	DDGD	
C[C@]1(CNC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)C[C@H]1Br	1594017177	MNWQYZIJMQJMFP-PUMKULAUSA-N	317.183	1.132	50	20	DDGD	
CNc1ccccc1C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1591223967	QJTOXRHJONCFKF-UHFFFAOYSA-N	310.321	1.060	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2cccc(C(=O)O)c2)CCCC1	1596543160	PHQOJXZEKKFPMB-UHFFFAOYSA-N	320.345	1.951	50	20	DDGD	
COc1cc(CNC(=O)NNC(=O)C(C)(C)C)ccc1C(=O)O	1599411007	JWAIXZCYXOALFI-UHFFFAOYSA-N	323.349	1.270	50	20	DDGD	
CC[C@@](C)(CNC(=O)NNc1cccc(-c2nn[nH]n2)c1)OC	1590383105	ZNCYNSBVUXDLNK-AWEZNQCLSA-N	319.369	1.308	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CCc1ocnc1C(=O)O	1592039919	SHYONKRXBZXUBU-UHFFFAOYSA-N	319.321	1.362	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@H]2CC(=O)O)C[C@@H]1Br	1594018072	VIMKLUNPLYOBFI-HOTUBEGUSA-N	319.199	1.809	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1cccc(C(=O)O)c1F	1598642527	RCSRJHCIAPJUGX-UHFFFAOYSA-N	311.313	1.273	50	20	DDGD	
COc1cc(C)c(C=NNC(=O)c2ccc(C(=O)O)cc2)cn1	1776101377	DZTJWQMQUFFENK-UHFFFAOYSA-N	313.313	1.861	50	20	DDGD	
O=C(NCc1ccco1)NN=Cc1ccc(C(=O)O)c(O)c1	1776039084	KCRZBUSAUHEVNU-UHFFFAOYSA-N	303.274	1.517	50	20	DDGD	
O=C(NN=C1CC(C(=O)O)(c2ccccc2)C1)c1cnsn1	1776105078	NRHYZQPXBNAXAF-UHFFFAOYSA-N	316.342	1.440	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1c[nH]c2ccc(C(=O)O)cc12	1777033746	ISRVJWBSGFPMSF-VZUCSPMQSA-N	319.342	1.622	50	20	DDGD	
CC(C)N(CCS(C)(=O)=O)C[C@H](C)CBr	134054576	LAJBIYRBTBPXMI-SNVBAGLBSA-N	300.262	1.772	50	20	DDGD	
NC(=O)CSCC(=O)NNc1ccccc1Br	153536403	BJROLPOPEPGWAZ-UHFFFAOYSA-N	318.196	1.111	50	20	DDGD	
O=C(NNC(=O)[C@@]1(O)CCSC1)c1ccc(Cl)cc1F	157128817	GSVPODFBZJNDKM-GFCCVEGCSA-N	318.757	1.108	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H]2CCc3cn[nH]c3C2)c1	157612674	HDDMQJUFZGTSBG-VIFPVBQESA-N	304.325	1.806	50	20	DDGD	
COc1ccc(NNC(=O)c2ccnc(C)n2)c([N+](=O)[O-])c1	155361776	FLBSTBUGLZGEJV-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
O=C(CNC(=O)OCc1ccccc1)NCC(Cl)Cl	495616251	DRVPXPZVXBCJKN-UHFFFAOYSA-N	305.161	1.833	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1ccccc1-n1cccn1	181410432	AYZIHQWGFVAQAQ-UHFFFAOYSA-N	322.328	1.349	50	20	DDGD	
Cc1ccccc1OCC(=O)NNC(=O)Cc1ccccc1F	7593542	QYTJQGAAKPTHAF-UHFFFAOYSA-N	316.332	1.903	50	20	DDGD	
N#Cc1ccc(C(=O)NNS(=O)(=O)c2cccs2)cc1	57820403	HMLOEUPTXZOGRB-UHFFFAOYSA-N	307.356	1.243	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)c1ccnc(F)c1	104633128	QCCTWSQKIHTPME-UHFFFAOYSA-N	312.304	1.637	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)OCc1ccccc1	109858704	OUJHOAJXPBXJOB-NSHDSACASA-N	302.334	1.084	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)Sc1cc(C#N)ccn1	116611862	FJTPSNWSTMLJFS-SNVBAGLBSA-N	306.391	1.627	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H]1C1CC1)c1cc(Br)c[nH]1	177655490	HLWIOVJRURWRGX-BDAKNGLRSA-N	312.167	1.584	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)NC1CCCCC1	171956601	DOKQJCVZCLZFPM-UHFFFAOYSA-N	320.393	1.770	50	20	DDGD	
COc1ccc2c(c1)OC[C@H](C(=O)NNc1ncccn1)C2	64487833	UTONXEXYGAUNEW-LLVKDONJSA-N	300.318	1.180	50	20	DDGD	
Cc1cc(NNC(=O)COCCOc2ccccc2)ncn1	172273630	AIXVBPKXOFKMDY-UHFFFAOYSA-N	302.334	1.324	50	20	DDGD	
O=C(NNc1ncccc1Cl)c1n[nH]c2ccccc2c1=O	114883102	HZLCKZCLTLRVPG-UHFFFAOYSA-N	315.720	1.728	50	20	DDGD	
Cc1cc(NNC(=O)c2ccnc(-n3ccnc3)c2)nc(C)n1	128928764	UQKGUVWEKAKULL-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
O=C(CNC(c1ccccc1)c1ccccc1)NNC(=O)C1CC1	112975567	OQULICXUIDYOHI-UHFFFAOYSA-N	323.396	1.923	50	20	DDGD	
O=C(CCn1cc([N+](=O)[O-])cn1)NNc1cccc(Cl)c1	65774937	LLTOVCKUBYXMHF-UHFFFAOYSA-N	309.713	1.978	50	20	DDGD	
CCO[C@H](CC)C(=O)NNc1nc2ccccc2c(=O)n1C	113187117	ZRCOBNTXYNOREM-GFCCVEGCSA-N	304.350	1.192	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)c2ccccc2O)s1	22259262	NUESLOZLYHPQLI-UHFFFAOYSA-N	304.327	1.731	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](C)c1cn(C)nc1C	69257603	HRARHCZZSXBFRL-LLVKDONJSA-N	315.377	1.742	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNc1nc2ccccc2c(=O)n1C	113188486	UZZRBVJWHHRALL-NSHDSACASA-N	318.377	1.582	50	20	DDGD	
CCNC(=O)CCCC(=O)NNC(=O)c1cccc(Cl)c1	170928317	URRVZNPRQLTEDY-UHFFFAOYSA-N	311.769	1.407	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)C2CCOCC2)c1C	69754487	WALMNEYSHSNUOA-CYBMUJFWSA-N	320.389	1.645	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C1CCC1	127900857	WDDBETKLGUWHPH-VIFPVBQESA-N	306.322	1.727	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CC[C@@H]2CCCO2)c(C)c1	76950225	PSVMSXHOWBZEBP-AWEZNQCLSA-N	319.405	1.822	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)C1CC1	127061778	GRPGTNWENYWLCZ-CYBMUJFWSA-N	309.341	1.124	50	20	DDGD	
C[C@@H](C(=O)NN(C)C(N)=O)c1ccc(Br)s1	181065873	PKPVKUXLICGLFA-RXMQYKEDSA-N	306.185	1.656	50	20	DDGD	
CCc1n[nH]c(=O)c(C(=O)NNc2cccc(OC)n2)c1CC	180683946	VIJNLWHDDBDQLF-UHFFFAOYSA-N	317.349	1.055	50	20	DDGD	
COc1ccc(C(F)(F)C(=O)NNC(=O)NC(C)C)cc1	124063578	WDXINECKPMKQND-UHFFFAOYSA-N	301.293	1.526	50	20	DDGD	
CC[C@H](CSC)N(C)CC(=O)NNC(=O)c1ccccc1	180233064	GYQJHNWPCUTOSW-CYBMUJFWSA-N	309.435	1.521	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C(=O)NNC(=O)C(C)(C)C)c1C	77219354	LYJMFVFXPUXHKW-UHFFFAOYSA-N	309.366	1.615	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2cc(C#N)ccc2F)o1	84162010	NKSDYJVGYXKKCR-UHFFFAOYSA-N	316.292	1.743	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2cc[nH]n2)c1	42214774	IMKOOCUENJZFCB-UHFFFAOYSA-N	316.361	1.682	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@@H]1C[C@@H]1c1cccc(F)c1	194518166	UUPMCZVISWUWHA-DGCLKSJQSA-N	302.309	1.654	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(-c2cnco2)cc1	139544207	KLYBBOYXQQKBJU-UHFFFAOYSA-N	318.333	1.322	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N(C)Cc2nccs2)s1	83198378	FGWJODWDHUAMBG-UHFFFAOYSA-N	310.404	1.999	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)Nc1nccs1	42755676	GYWAWLQGIPYHSU-QMMMGPOBSA-N	324.337	1.902	50	20	DDGD	
C=CCNC(=S)NNC(=O)COc1ccc(OCC)cc1	41962201	MNQJUGAOXVOCLV-UHFFFAOYSA-N	309.391	1.145	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H](C)N(C)CC(F)(F)F)n1	193781248	LYUFATCSZDNXRJ-MRVPVSSYSA-N	306.288	1.416	50	20	DDGD	
CCN(C)c1ccc(/C=C(\C#N)C(=O)N[C@@H](C)COC)cn1	190236110	SPJYTAQFDVMMPZ-ACLQVGRQSA-N	302.378	1.596	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=Cc1ccc(O)cc1O	254708387	FBMJMTBZPYSEOJ-UHFFFAOYSA-N	319.342	1.039	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2cccc(CO)c2)n1	266917884	BMWNICRODUXYIF-UHFFFAOYSA-N	317.349	1.112	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cnn(C)c1C1CC1	264540806	QNSBWVHRVCSTMC-UHFFFAOYSA-N	314.345	1.381	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2O)O1	268203501	GTCYRMRAYKXZEA-BXKDBHETSA-N	312.753	1.764	50	20	DDGD	
CO[C@@]1(C)CCCN(CC(=O)NNC(=O)c2ccccc2)CC1	366485022	JTEIQVOPVAZOKH-KRWDZBQOSA-N	319.405	1.339	50	20	DDGD	
CN(C)CCOc1cc(C(=O)N2CC=C(C#N)CC2)ccn1	272649304	DZKLELYPJNPXHY-UHFFFAOYSA-N	300.362	1.318	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)NC1CC(F)(F)C1	277648206	MPDCKIKGSUXQMB-UHFFFAOYSA-N	317.267	1.333	50	20	DDGD	
N#CC1=CCN(C(=O)CNC(=O)Cc2cccc(F)c2)CC1	271090825	IBCLRORHFCIKQR-UHFFFAOYSA-N	301.321	1.167	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)CSc1ccccc1O)C1CC1	270677655	XRTCRZMYGBDSHF-SECBINFHSA-N	309.391	1.613	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H](C)N(C)CC(F)(F)F)n1	279766609	GKYOQMIIDQODEA-VIFPVBQESA-N	318.299	1.034	50	20	DDGD	
CC(C)(C)NC(=O)c1cccc(NC(=O)NNC(=O)C2CC2)c1	273232795	RQYWNNFHKNLSIK-UHFFFAOYSA-N	318.377	1.778	50	20	DDGD	
CO[C@H](C)CCC(=O)NNC(=O)CSc1ccccc1O	273076655	OKKVLYBOJJKRHH-SNVBAGLBSA-N	312.391	1.447	50	20	DDGD	
CC(C)N1C[C@@H](NC(=O)NNc2cc(Cl)ccn2)CC1=O	272428848	NSYVNGJOXDHGKP-JTQLQIEISA-N	311.773	1.370	50	20	DDGD	
Cc1nc(Cl)ccc1S(=O)(=O)NNC(=O)CC(C)(C)C	288456968	JRIUNJPCANLSOZ-UHFFFAOYSA-N	319.814	1.789	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CCn3cncc3C2)c1	371666459	UUOHKCGPPJYWTE-LLVKDONJSA-N	314.345	1.375	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1CCCN1Cc1ccccn1	371847930	QFQBSCZVYQGLSH-ZDUSSCGKSA-N	320.393	1.602	50	20	DDGD	
COC(=O)C(C)(C)CCNC(=O)NNc1cccc(OC)n1	287145700	YJLONHJRBIIPSX-UHFFFAOYSA-N	310.354	1.306	50	20	DDGD	
CN1C(=O)C[C@H](C(=O)NNc2cccc(F)n2)c2ccccc21	376237723	XYCRXPAYOJHTLD-NSHDSACASA-N	314.320	1.814	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CC2OCCCO2)c(C)c1	282439665	KUNXXNUYNWSVNR-UHFFFAOYSA-N	321.377	1.016	50	20	DDGD	
CCc1onc(-c2ccccc2)c1C(=O)NNC(=O)CN(C)C	280719929	MCDSKZKRRYFWMG-UHFFFAOYSA-N	316.361	1.227	50	20	DDGD	
CN(NC(=O)NCCN1CCN(C)C(C)(C)C1)c1ccccc1	281579505	BBQNYIMJUNHXEI-UHFFFAOYSA-N	319.453	1.363	50	20	DDGD	
C[C@H]1CCCN([C@@H](C)CNC(=O)NNc2cccc(F)n2)C1	286690389	LTFKXVXIOCPMGY-RYUDHWBXSA-N	309.389	1.967	50	20	DDGD	
CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)[C@@H]1CCCO1	293998755	MAWLGTYKQHUBIH-KGLIPLIRSA-N	306.362	1.479	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1ccc(-c2cc[nH]n2)cc1	292953549	ASLGDZKDZNTVPZ-ZDUSSCGKSA-N	315.333	1.408	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cncs1	807310847	UJPVSCVGQKVSJH-MRVPVSSYSA-N	309.322	1.511	50	20	DDGD	
COc1ccc2c(c1)[C@@H](NC(=O)NNc1ccncn1)CCO2	296648717	MXUFDSWWOPEVLR-LBPRGKRZSA-N	315.333	1.635	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1ccc(C(F)(F)F)nc1	297672946	GDARJGFMQFINBX-QMMMGPOBSA-N	318.255	1.432	50	20	DDGD	
C=CCC(C)(C)C(=O)NNC(=O)COc1ccccc1OC	292270056	GTTRPTGOKRFFCY-UHFFFAOYSA-N	306.362	1.824	50	20	DDGD	
CC(=NNC(=O)COc1cccc(C)c1)c1cn(C)c(C)n1	800805903	HLPWVJOMBBHELF-UHFFFAOYSA-N	300.362	1.956	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)C2=CCCCCC2)C[C@@H](C)O1	809981636	RQRFVZIKYSQJEX-OKILXGFUSA-N	323.437	1.524	50	20	DDGD	
CN(CC(=O)NNc1nccnc1C1CCC1)C(=O)C1CC1	805470055	UGKDSDTTWMSIFC-UHFFFAOYSA-N	303.366	1.056	50	20	DDGD	
Cc1cc(C)cc(C2(C(=O)NNC(=O)N3CCOCC3)CC2)c1	299387677	QGTLGFHQLGGDDI-UHFFFAOYSA-N	317.389	1.408	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2cnn(CCF)c2)o1	806680589	UWFROHJCXFLPSR-UHFFFAOYSA-N	306.301	1.593	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cccc3c2COC3=O)n1	808906012	HOTQUWVKEQLRNM-UHFFFAOYSA-N	315.289	1.304	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H]2CCCCS2(=O)=O)cc1	294426927	SDGGNJXPSPNGGJ-ZDUSSCGKSA-N	312.391	1.496	50	20	DDGD	
CC(C)CC(=O)NN=Cc1ccc(S(N)(=O)=O)c(Cl)c1	807955349	UPWLLVUGPYNMQL-UHFFFAOYSA-N	317.798	1.484	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@@H]1CSC[C@H]1C	805790662	BYPVXSHFGQJEFP-ZYHUDNBSSA-N	323.418	1.320	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1ccc(Cl)s1	801483959	NQDSVADPQCFEAB-SSDOTTSWSA-N	318.782	1.433	50	20	DDGD	
O=C(CCCn1cncn1)NNc1cc(Cl)nc(Cl)c1	819744027	ZZASXIKBJXHCFD-UHFFFAOYSA-N	315.164	1.903	50	20	DDGD	
CC[C@@H](C=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1	814814364	IJNDFBPHRAVMDT-JSGCOSHPSA-N	323.418	1.652	50	20	DDGD	
COc1ccncc1CNC(=O)NNc1ncncc1Cl	814418016	YYXQGQRKERMPIT-UHFFFAOYSA-N	308.729	1.360	50	20	DDGD	
C[C@@H]1C(=NNC(=O)CNC(=O)c2ccco2)CC[C@H]1CC(=O)O	814826635	DUCVMBXJDNXQRY-UWVGGRQHSA-N	321.333	1.002	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2cccc(C#N)c2)ccc1O	813440069	HWRBCWSCOCCWJD-UHFFFAOYSA-N	309.325	1.901	50	20	DDGD	
Cc1ccc([C@H](C)[C@@H](O)C(=O)NNc2ncncc2F)cc1	817068086	WLBNCXPUTDAPDL-GXFFZTMASA-N	304.325	1.532	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2cc(F)cc(OC)c2)c[nH]1	815857868	YHMLGBDQHCPKJW-UHFFFAOYSA-N	307.281	1.706	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CC(C)(C)C1CC1	815468568	BPSRVZKKRCHYSV-LLVKDONJSA-N	312.410	1.938	50	20	DDGD	
Cn1nc(NC(=O)C(=O)NNc2ccc(C#N)cc2)cc1C1CC1	810388402	WLAQVQHDMPYWPV-UHFFFAOYSA-N	324.344	1.251	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NC[C@@H]1CNCCCO1	817994122	VTWRPYKJECNEGG-UWVGGRQHSA-N	307.232	1.291	50	20	DDGD	
CC1(C)[C@H](NC(=O)NNc2ncncc2F)[C@@H]2CCCO[C@H]21	814306016	MFHZLEUCLOINLH-JMJZKYOTSA-N	309.345	1.445	50	20	DDGD	
O=C(NNC(=O)c1cnc2c(F)ccc(F)c2c1)NC1CC1	815113521	DSZARSWEWNXAGJ-UHFFFAOYSA-N	306.272	1.619	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNC(=O)Cc1ccccc1C	810565244	OCKPEVVUEYXDJC-UHFFFAOYSA-N	306.365	1.909	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccnc(Cl)c1C	810294986	DSOZMOCHNDSCIO-UHFFFAOYSA-N	308.729	1.541	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)c1conc1C1CC1	810353699	RUDUWAVYCYEEDX-UHFFFAOYSA-N	324.340	1.968	50	20	DDGD	
COC(=O)[C@H](CC(F)F)NC(=O)[C@@]1(C)C[C@H]1Br	824113406	ZNGPXTUWSZNGME-ZTNVNUCQSA-N	314.126	1.473	50	20	DDGD	
CCc1nc(CCNC(=O)NNC(=O)C2CCCC2)cs1	726717362	SKMWHAFXOJTBSM-UHFFFAOYSA-N	310.423	1.769	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@H]1CC12CCOCC2	826448558	ZXUODZWLFOPZQA-GFCCVEGCSA-N	314.349	1.127	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1cccc(C)c1	825630448	GQWOSTSPDCDDPZ-UHFFFAOYSA-N	313.357	1.877	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc2[nH]c(C(=O)NC)cc2c1	490693440	IVZHHZSMLVKWSM-PKNBQFBNSA-N	312.329	1.910	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@]2(C)CCC[C@H]2C)cc1	822222026	QXSIIIYJXIJPJT-PXAZEXFGSA-N	317.389	1.907	50	20	DDGD	
CCOC(=O)N1CCC(C(=O)NCCSSC)CC1	495800626	MVYPAZLJBSFNDB-UHFFFAOYSA-N	306.453	1.982	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C	823913245	QPCAAJROAWNOGA-WDEREUQCSA-N	302.415	1.334	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(C(=O)C2CC2)CC1(C)C	490813524	PZSXKJYKGKXEBU-RAXLEYEMSA-N	305.378	1.290	50	20	DDGD	
CCCN(NC(=O)c1cnc2[nH]nnc2c1)C(=O)OC(C)(C)C	496360571	OCKFZOKZZQMAJZ-UHFFFAOYSA-N	320.353	1.645	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNc2ncccc2C(F)(F)F)CCN1C	825984724	JRXUQBRTMHWPNA-RKDXNWHRSA-N	302.300	1.884	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@H]1CCCC(F)(F)C1	826710162	HHGDVZIEGLCJKZ-GARJFASQSA-N	319.352	1.567	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)[C@H]1CCC[C@@H](C)C1	826939996	DHVFBUCQFQGWEW-XHJNMGKDSA-N	311.426	1.957	50	20	DDGD	
C[C@H](C=NNC(=O)N1CCOCC1)CNC(=O)OC(C)(C)C	495907540	XCRNNJVOAAWOHS-NSHDSACASA-N	314.386	1.175	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C1CC1	497272541	RJRIASRVMXWWCI-VIFPVBQESA-N	315.370	1.552	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cnc(C2CCCC2)nc1N	824404951	ZFMZBSZSCHOZDA-UHFFFAOYSA-N	306.370	1.069	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1ncc(-c2ccccc2)[nH]1	588616257	ZHGBKAKUXADPMK-XYOKQWHBSA-N	302.359	1.833	50	20	DDGD	
CCOc1cc(C(=O)NN(CC)CCO)cc(Cl)c1O	823833501	CUFJAJKLLAZEKX-UHFFFAOYSA-N	302.758	1.403	50	20	DDGD	
CC(C)(C(=O)NN[C@H](C(=O)O)c1cccnc1)c1ccccc1	826080887	JHJJRPKDCYOEGB-AWEZNQCLSA-N	313.357	1.806	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NN=Cc1ccccn1	491441309	SDHWUNUFQNSUEB-UHFFFAOYSA-N	307.354	1.239	50	20	DDGD	
CCc1ccccc1-n1cc(O)c(C(=O)NN(CC)CCO)n1	823897548	GIMROPZAZGTQJY-UHFFFAOYSA-N	318.377	1.099	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1	732653648	FORAUUWWJCGHQU-GFCCVEGCSA-N	311.288	1.261	50	20	DDGD	
COC(=O)C1CCN(C(=O)[C@@]2(C)C[C@@H]2Br)CC1	905113508	QSXNKTRVSYNSKW-CABZTGNLSA-N	304.184	1.572	50	20	DDGD	
O=C(NCc1ccc(-c2nn[nH]n2)cc1)NNc1ccccc1	738101049	WUKMZHPLXWKAKK-UHFFFAOYSA-N	309.333	1.693	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)ncn1	496094953	SGLOOTDEWSCGDO-MNOVXSKESA-N	323.397	1.777	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)Nc2ccc(OC)cc2)n(C)n1	822764493	IAKOCVPVRZFSQQ-UHFFFAOYSA-N	317.349	1.458	50	20	DDGD	
C#CCCCC(=O)NN=Cc1c[nH]ccc1=NC(=O)C(C)(C)C	901325315	IPMWRSZCSUJNPS-UHFFFAOYSA-N	314.389	1.742	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc2c(cc1SC)OCCO2	490946726	GSOUDCFIVYATPZ-UHFFFAOYSA-N	313.335	1.572	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1cccc(O)c1)[C@H]1CCCCO1	839781244	LATWWUAIECRTFR-BFHYXJOUSA-N	304.346	1.212	50	20	DDGD	
C[C@]1(C(=O)N2CCC[C@H](CCC(N)=O)C2)C[C@@H]1Br	906522442	KFTCZQGUBKSITE-NRUUGDAUSA-N	317.227	1.664	50	20	DDGD	
C=C(CI)n1cc([C@H](N)CCC)nn1	900641091	JWIHHIAKGQPXOC-MRVPVSSYSA-N	306.151	1.984	50	20	DDGD	
Cc1sc(Cl)nc1C(=O)NNC(=O)[C@H]1CCCCO1	833242904	PVSHDAVMKRIQLO-SSDOTTSWSA-N	303.771	1.435	50	20	DDGD	
COc1ccc(NNC(=O)NCCCCN(C)C2CC2)nc1	836687558	VEESVQIHAZCMTJ-UHFFFAOYSA-N	307.398	1.591	50	20	DDGD	
CC(C)(C)[C@H](CC(F)(F)F)NCc1ccccc1B(O)O	585033678	AJMYQGZWXMKQAJ-LBPRGKRZSA-N	303.133	1.823	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1cc(C)cc(C#N)c1	836774019	PJORWRLNAMNLAX-LLVKDONJSA-N	320.349	1.071	50	20	DDGD	
Cc1cc(C(=O)NNc2cnccn2)cc(C)c1OCC(=O)O	832864556	NJMVXKKEPYFPCH-UHFFFAOYSA-N	316.317	1.314	50	20	DDGD	
CC(C)Cn1ncc(C(=O)N2CC[C@@H](B(O)O)C2)c1C1CC1	585064446	QGTXCROKPCFVOG-GFCCVEGCSA-N	305.187	1.105	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CNCC(F)(F)F)cc1F	837050555	MKRLGFMTLQNYNO-UHFFFAOYSA-N	323.246	1.207	50	20	DDGD	
O=S(=O)(CBr)N1CCC[C@@]2(CCSC2)C1	832628760	IIQBRRWYQKFGLD-SECBINFHSA-N	314.270	1.888	50	20	DDGD	
CCC1(NCC(=O)NNC(=O)c2cccc(C#N)c2)CCCC1	830786804	FJHXECNVNDDSEH-UHFFFAOYSA-N	314.389	1.632	50	20	DDGD	
COc1ncc(C(=O)NNC(=O)c2cccc3ncccc23)cn1	733956192	XOGGNIISCPHIJR-UHFFFAOYSA-N	323.312	1.108	50	20	DDGD	
C[C@H](CCCc1cccnc1)NC(=O)NNC(=O)C1CCC1	838750264	YXVNHPRDZVDPFM-GFCCVEGCSA-N	304.394	1.923	50	20	DDGD	
CN(C)CC1(O)CCN(C(=O)[C@]2(C)C[C@@H]2Br)CC1	913677320	KIGYDYYKKATGLV-CMPLNLGQSA-N	319.243	1.075	50	20	DDGD	
Cc1cnc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)cn1	738803450	QUUJVLSFKOGEQJ-UHFFFAOYSA-N	303.230	1.611	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CC(F)(F)F)cn2ccnc12	836691141	HOERMEVCVYVLMQ-UHFFFAOYSA-N	315.255	1.748	50	20	DDGD	
Cc1nnc2ccc(C(=O)NNc3ncccc3Cl)cn12	734245796	ORKROMXTNLYLCL-UHFFFAOYSA-N	302.725	1.843	50	20	DDGD	
C[C@@H]1CCC[C@@](CNC(=O)NNC(=O)C2CCC2)(N(C)C)C1	732450016	MZFULSSSMKZSDJ-MLGOLLRUSA-N	310.442	1.627	50	20	DDGD	
C[C@H](Oc1ccccc1F)[C@@H](C)NCc1ccccc1B(O)O	585030147	WZXIHPXJXBQVPX-OLZOCXBDSA-N	317.169	1.451	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCCC1=NNC(=O)[C@H]1CCCCO1	834989028	ORNVZYMGZSHFAJ-VXGBXAGGSA-N	302.396	1.015	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)NC[C@@H](C)S(C)(=O)=O	838527479	RMQZSWDAZSZNHF-SECBINFHSA-N	319.814	1.708	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCCO1)c1ccc2c(c1)OCCO2	834990620	UCOJUMCWIUNITO-AWEZNQCLSA-N	304.346	1.867	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1c[nH]nc1-c1cccnc1	730420517	IPIZWBJQFUIAFE-UHFFFAOYSA-N	313.239	1.185	50	20	DDGD	
COC(=O)[C@H](CNC(=O)[C@]1(C)C[C@H]1Br)CC1CC1	911889331	HRUBSXFIXOSZOS-OPQQBVKSSA-N	318.211	1.865	50	20	DDGD	
CCCC[C@H](CC)CNC(=S)NNC(=O)N1CCOCC1	745730533	UUSOVPCOSPLBFV-LBPRGKRZSA-N	316.471	1.624	50	20	DDGD	
COc1ccc(C(=O)NNc2ncnc3[nH]cnc23)c(Cl)c1	743471768	VJNZQERUMXKACT-UHFFFAOYSA-N	318.724	1.772	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H](C)Cc2ccncc2)n1	749620217	LJBGCQPTPGSPHY-SNVBAGLBSA-N	302.338	1.138	50	20	DDGD	
C[C@H](SCc1ccccc1)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843644136	JXLQEDDJVUGIBK-SGMGOOAPSA-N	322.430	1.881	50	20	DDGD	
C[C@@H](COCC(=O)NNc1ncncc1F)c1ccccc1	846215083	KCSPAKWUNXRJDA-NSHDSACASA-N	304.325	1.879	50	20	DDGD	
C[C@]1(C(=O)N2CCC[C@H](n3ccnn3)C2)C[C@@H]1Br	911290567	BDBFCXTXMONBPJ-NHCYSSNCSA-N	313.199	1.615	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(-c2ccccn2)nc1	845296759	OIRALBMCGJCGDJ-UHFFFAOYSA-N	313.361	1.888	50	20	DDGD	
N#CCOc1ccc(C=NNC(=O)NCC(F)(F)F)cc1	917550832	CCBYGBWJBUARIG-UHFFFAOYSA-N	300.240	1.784	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(F)c(OC)cc1OC	844275435	WYOQOQZMMPEOOE-STCRIKGOSA-N	322.336	1.901	50	20	DDGD	
COc1ccc(CCC(=O)NN=C2C[C@H](C)n3ncnc32)cc1	841620931	OHHTWPADCPNUAL-NSHDSACASA-N	313.361	1.705	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@H](C[C@@H]1CCCO1)C(F)(F)F	845927210	MHJSMEVOCWGXCW-QWRGUYRKSA-N	303.284	1.694	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(-n2ccnc2)cc1	843646579	QMVROMPFIJWSPX-RISCZKNCSA-N	314.345	1.058	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1nc(-c2ccccc2)n[nH]1	741413692	IJPCHASTYDNZHM-UHFFFAOYSA-N	316.365	1.348	50	20	DDGD	
C[C@@H](Cc1ccc(F)cc1)C(=O)NNC(=O)N1CCOCC1	745995761	AHLVQXFZRWPXIP-NSHDSACASA-N	309.341	1.077	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)COc1ccc(C)c(C)c1	742472387	QGKHAVMPJLQOON-UHFFFAOYSA-N	320.389	1.812	50	20	DDGD	
Cc1[nH]nc(C(F)(F)F)c1C(=O)NNC(=O)c1ccncc1	746578947	FEPSIPJNZMJAKH-UHFFFAOYSA-N	313.239	1.207	50	20	DDGD	
CC1(C)C[C@@H]1CNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	745816514	ICEQFMGHTVUEMM-MRVPVSSYSA-N	322.321	1.291	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cnn1C(C)(C)C	843643388	IBYNIYJRYFBKOZ-QWRGUYRKSA-N	308.382	1.133	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)c1ccncc1Cl	744455765	LWEOZKNYONPAIY-UHFFFAOYSA-N	323.711	1.714	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(C)c1	842587091	VUYFGIVNSRGWEQ-NWDGAFQWSA-N	312.391	1.038	50	20	DDGD	
CC(=NNC(=O)c1ccccc1)c1cccc(S(N)(=O)=O)c1	915933761	HMBGDNPEDJCJCC-UHFFFAOYSA-N	317.370	1.488	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCSCc1ccccn1	843641936	DQEYWCSYJGKWTM-DGCLKSJQSA-N	323.418	1.277	50	20	DDGD	
CC(C)c1noc(CCC(=O)NNC(=O)CC(F)(F)F)n1	918366735	VEEAWGHDSAIVFW-UHFFFAOYSA-N	308.260	1.225	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NN=C2CCS(=O)(=O)C2)c1C	912797901	OWEXROMATGTRNJ-LBPRGKRZSA-N	324.402	1.361	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)[C@H](C)CN1CCCCCC1	916370225	ARJZWRCPVZJXLB-CYBMUJFWSA-N	319.453	1.999	50	20	DDGD	
O=C(NCC[C@@H]1CCNC1)NNC(=O)c1cc2c(s1)CCC2	841938295	MDWSJVFFSNSUGH-JTQLQIEISA-N	322.434	1.180	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H](C)CCCN)c1F	841999811	OMCMZTIKXWSKGI-SECBINFHSA-N	312.345	1.366	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCCOCCO)c1C	740202429	BCPJWPLZWUHEMD-LFIBNONCSA-N	320.389	1.974	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)Cc2ccc(C#N)cc2)n1	748336565	XKYCMGHTUYVIFQ-UHFFFAOYSA-N	301.737	1.996	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc2nc(O)n(CC)c2c1	847394750	PHADQWGMFWHZGF-UHFFFAOYSA-N	305.338	1.116	50	20	DDGD	
CN(C)CCOc1ccc(C=NNC(=O)c2ncccn2)cc1	841662646	OCUBJLAGVULEST-UHFFFAOYSA-N	313.361	1.181	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)CC(F)(F)F)c1cccnc1	840478274	SSWVXSNEBRHOSA-UHFFFAOYSA-N	318.299	1.642	50	20	DDGD	
COC/C(C)=C/C(=O)NNC(=O)CSc1ccccc1O	845903482	YRYZIZXDFJDEBU-JXMROGBWSA-N	310.375	1.224	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@]23CCC[C@@H]2C3)cc1	924427237	GIXSCKVRVBVLHW-CXAGYDPISA-N	316.357	1.489	50	20	DDGD	
C=C[C@@H](C)NC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O	756975409	XXVOXFLPULPDON-SNVBAGLBSA-N	315.333	1.096	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCC2(N(C)C)CC2)cc1F	922988169	MAFWYRGZLZIVCO-UHFFFAOYSA-N	324.356	1.333	50	20	DDGD	
CC(=NNC(=O)Cn1c(C)nc2ccccc21)c1nccn1C	755523744	CYHNEMKAKLFNPS-UHFFFAOYSA-N	310.361	1.619	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)CCn1cccc1	751067822	BASSRAWKVXCRAJ-UHFFFAOYSA-N	307.375	1.425	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CCCN2C(=O)CCC2=O)c1	759315770	ZTYJOMIDSLFHJP-UHFFFAOYSA-N	323.324	1.207	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NCC2(N)CCCC2)cc1	851670842	CAXOHYWUFYLRHB-UHFFFAOYSA-N	321.381	1.302	50	20	DDGD	
CC(C)(C)n1nnc(CC(=O)NNc2ccc(Cl)cn2)n1	856094314	FERVHSCTPVJOPO-UHFFFAOYSA-N	309.761	1.162	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CCc2ccon2)ccc1C	857264158	PGWMFPIVJMMVOA-UHFFFAOYSA-N	303.318	1.846	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H]2CCCN(CC(F)F)C2)nc1	924815795	RIJGXDPHPILRCH-NSHDSACASA-N	309.320	1.373	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)[C@@]1(O)CCc2ccccc2C1	857730361	QTTWRNYTGIQWGP-OAHLLOKOSA-N	318.764	1.493	50	20	DDGD	
COc1ccc2c(c1)CN(C(=O)NNC(=O)C1CCCC1)CC2	753354062	FYDWDIGFZFDEIR-UHFFFAOYSA-N	317.389	1.984	50	20	DDGD	
COc1cccc(NCC(=O)NN=C2CCCn3nccc32)c1	853278918	KLTPUMFLXCRZHW-UHFFFAOYSA-N	313.361	1.618	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)Nc2ccn(C)n2)cc1	756294251	QDDXDMAHAHXJFX-UHFFFAOYSA-N	319.390	1.674	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)C(C)(C)C)C1CCN(C)CC1	853408795	XEFDLJBYGDCDFF-UHFFFAOYSA-N	324.469	1.763	50	20	DDGD	
CC(C)(C)c1n[nH]c(CNC(=O)NNc2ncc(Cl)cn2)n1	856915228	KGRBSRXXTIGJAZ-UHFFFAOYSA-N	324.776	1.372	50	20	DDGD	
Cn1nncc1NNC(=O)[C@@H]1COCC[C@@H]1c1ccccc1	857270834	PXMKJAHQYFHJLB-CHWSQXEVSA-N	301.350	1.079	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2oc(C)nc2C)c1O	751063118	LBAMYGGDQJOXAX-UHFFFAOYSA-N	305.290	1.080	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CN(C)[C@@H]2CCSC2)c1	862478685	MFNVOGYBWCCKPD-SNVBAGLBSA-N	313.448	1.255	50	20	DDGD	
COCCCOCCN(C)S(=O)(=O)CC(C)(C)CCl	867054219	PKXCAFMCBVVJPS-UHFFFAOYSA-N	315.863	1.566	50	20	DDGD	
Cc1ccc([C@@H](C)C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1	863082549	NEPGLZZZENLCFS-JSGCOSHPSA-N	323.418	1.571	50	20	DDGD	
Cc1cccc(CO[C@@H](C)C(=O)NNC(=O)c2cccn2C)c1	864593587	BJZWOSGGMYTKSQ-ZDUSSCGKSA-N	315.373	1.700	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NNc1cccc(F)c1Cl	862506508	AGAPNAQOEVSNNP-JTQLQIEISA-N	315.776	1.891	50	20	DDGD	
C[C@H](NNC(=O)c1cccc(NC(=O)N(C)C)c1)C(F)(F)F	862313616	KRBKYUNAUROJSY-QMMMGPOBSA-N	318.299	1.965	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2cn(C)nc2-c2cccs2)n[nH]1	769583063	BKCRTVWAYJXWFP-UHFFFAOYSA-N	314.374	1.944	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2cc(O)ccc2Br)cn1	769820567	IRZVBZITDFPALY-UHFFFAOYSA-N	323.150	1.652	50	20	DDGD	
O=C(CCO)NN=C1CCCc2ccc(Br)cc21	1116446930	NVCVWLOXKZSDMS-UHFFFAOYSA-N	311.179	1.988	50	20	DDGD	
Cn1cnc2c(C(=O)NNCC(F)(F)C(F)(F)F)ccnc21	863099319	JYUZIMUDGSNEMT-UHFFFAOYSA-N	323.225	1.400	50	20	DDGD	
CO[C@@H](C)c1nsc(NC(=O)NN=c2cc[nH]c(C)c2)n1	861125348	TUIQMSKSIOHOOT-QMMMGPOBSA-N	308.367	1.519	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H]1CCC(=O)[C@H](C)C1	764201423	RYBWXXOZWOQQOD-MNOVXSKESA-N	304.346	1.462	50	20	DDGD	
CC(C)(SCC(=O)O)C(=O)NC[C@]1(C)C[C@H]1Br	872883425	PDOKRNVTIZXBOU-HQJQHLMTSA-N	324.240	1.873	50	20	DDGD	
CCc1ccc(C(C)(C)C(=O)NNc2nnc(C)c(O)n2)cc1	768928513	QIAIOTTZGFYIRB-UHFFFAOYSA-N	315.377	1.869	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)cn1	874954782	CUFVRJCXJATUTH-JBLDHEPKSA-N	320.418	1.844	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCOc1ccc(Cl)cn1	875379852	LCTNBUADBTUJKS-UHFFFAOYSA-N	302.718	1.026	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C2(C)CC(F)(F)C2)cc1	873796229	FPJYGCUIJNBVLI-UHFFFAOYSA-N	312.316	1.957	50	20	DDGD	
CCC(=O)c1cccc(NC(=O)NNC(=O)C2CCOCC2)c1	878979057	RLSOJEQAYPBHPR-UHFFFAOYSA-N	319.361	1.859	50	20	DDGD	
COCCC[C@@H](Cc1ccccc1)NC(=O)NN(C)C(=O)OC	875547739	NLLFQXGWFNCAAE-AWEZNQCLSA-N	323.393	1.937	50	20	DDGD	
Cc1cnc(Cl)c(NC(=O)C(=O)NNc2ncncc2F)c1	1117716263	WZMMWFNCEVDWTH-UHFFFAOYSA-N	324.703	1.054	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cc2c(s1)CCCCC2)N(C)C	873818196	ZLTRQYFABGVBOE-SNVBAGLBSA-N	309.435	1.728	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H](c1cccc(Cl)c1)N(C)C	1116126689	UKBLKOGSNBERIS-GFCCVEGCSA-N	312.801	1.683	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@H](C)OCC(C)C)nc1C	778424616	YDYMPALOONJXMQ-NSHDSACASA-N	324.381	1.466	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)[C@@H](NS(C)(=O)=O)C(C)C	771698155	ZWCURZKGVDMKDE-NSHDSACASA-N	317.386	1.151	50	20	DDGD	
CCCCNC(=O)NN=C1C(=O)Nc2c(F)cc([N+](=O)[O-])cc21	774365921	ADPQVLLXMLFTJZ-UHFFFAOYSA-N	323.284	1.489	50	20	DDGD	
CC(=NNC(=O)c1ccc(C)c(O)c1)C1CCS(=O)(=O)CC1	1119301798	HAEGYEFZFGVJMH-UHFFFAOYSA-N	324.402	1.631	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H]2CCCCN(C)C2=O)cc1	873798913	QFWUCKBOZCOHJS-CQSZACIVSA-N	317.389	1.269	50	20	DDGD	
COc1cccc(C2=NO[C@H](C(=O)NNc3ccn(C)n3)C2)c1	1117985461	MZABXEGVCGHDPD-ZDUSSCGKSA-N	315.333	1.065	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(CC(C)C)C2CC2)c1	777555000	KSIYWUUEGPLGGT-UHFFFAOYSA-N	303.406	1.876	50	20	DDGD	
CC(C)(C)OC(=O)NNS(=O)(=O)c1ccc(F)nc1F	882659359	BIOWXGQWAMSDPO-UHFFFAOYSA-N	309.294	1.078	50	20	DDGD	
CCN(CC(OC)OC)S(=O)(=O)CC(C)(C)CCl	885388630	DXDGZSCNJXMENZ-UHFFFAOYSA-N	301.836	1.522	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCN1C1CCCC1)c1cccnn1	882057043	LUHLSLVSTYKGPF-AWEZNQCLSA-N	317.393	1.035	50	20	DDGD	
CC[C@@H]1C[C@H](C(=O)NNC(=O)c2ccc(C)c(O)c2)CCO1	882050053	MZDCPDKTDAIJGS-CHWSQXEVSA-N	306.362	1.667	50	20	DDGD	
CCOc1nc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)co1	771905506	VIYHXVOGPRIYTG-UHFFFAOYSA-N	323.736	1.730	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc([S@](C)(=N)=O)cc1	888464689	BBVCENAWZRDJJK-HXUWFJFHSA-N	300.384	1.337	50	20	DDGD	
CN(C)N(C(=O)[C@H]1CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1	776305768	HLYLNQUYPGATPX-VXGBXAGGSA-N	302.440	1.305	50	20	DDGD	
CCOC(=O)C[C@@](C)(NS(=O)(=O)CCCCl)C(C)C	882084876	JRNZQKXPEHVKPF-GFCCVEGCSA-N	313.847	1.903	50	20	DDGD	
O=C(NNC(=O)c1ccc(O)c(Cl)c1)Nc1ccncn1	770767515	ZOUJRUWKIPWATQ-UHFFFAOYSA-N	307.697	1.302	50	20	DDGD	
COc1ccc(NCC(=O)NN=C(C)c2coc(C)n2)cc1	788951663	NJTABSNSSVMDAU-UHFFFAOYSA-N	302.334	1.944	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CCc1ccc(O)nc1	787493527	KHLDJDUWIVNBII-UHFFFAOYSA-N	315.329	1.650	50	20	DDGD	
C#CCCCC(=O)NNC(=O)COc1c(C)cc(C)cc1C	887139618	WVFDJYGLHOMPIH-UHFFFAOYSA-N	302.374	1.942	50	20	DDGD	
NC(=O)[C@H]1CCC[C@@H](C(=O)NNc2cnnc3ccccc23)C1	787998941	DTTBXIIXDLVRSQ-WDEREUQCSA-N	313.361	1.365	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)Nc2noc(C)n2)c1	781111786	OQNZCYUYIGOELR-UHFFFAOYSA-N	316.346	1.382	50	20	DDGD	
O=C(CC[C@@H]1CC1(Cl)Cl)NNC(=O)c1cccnn1	882056478	WIZQKGHBXGKMJP-SSDOTTSWSA-N	303.149	1.212	50	20	DDGD	
C[C@H]1CC[C@@H](NC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1	781019422	FEGPDWRMDVVQNQ-VHSXEESVSA-N	314.386	1.030	50	20	DDGD	
CO[C@@H]1CCOC[C@H]1NC(=O)NC[C@]1(C)C[C@H]1Br	895924236	UGYIQLWIJLBLND-BFLSOPEQSA-N	321.215	1.263	50	20	DDGD	
C=CCCN(OCc1ccccc1)[C@H](C)C(=O)NNC(=O)CC	782669778	TZDQXEFDIJTLJJ-CQSZACIVSA-N	319.405	1.942	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H]2CCN(CC3CC3)C2)n1	780016818	SIAWXTZXNUHCPD-LBPRGKRZSA-N	305.382	1.201	50	20	DDGD	
O=C(CCc1ccc(O)nc1)NNC(=O)Cc1ccc(F)cc1	786681173	SWMFXGSGMZISME-UHFFFAOYSA-N	317.320	1.249	50	20	DDGD	
O=C(NN=C1CCc2cc(O)ccc21)[C@@H]1COc2ccccc2O1	780189356	YDPNTVSNVZEGMT-KRWDZBQOSA-N	324.336	1.999	50	20	DDGD	
CC(C)C(=O)N1CCCC[C@H]1C(=O)NNc1ccc(C#N)cn1	899664420	VNWNRUQASQCWAG-ZDUSSCGKSA-N	315.377	1.433	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCCOC2CCSCC2)cn1	891224557	KIKPQBUAAHQPKE-MDWZMJQESA-N	320.418	1.355	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53)c1ccncc1	792760513	BBSAWSYBHXUQEN-HAJSXZOYSA-N	309.369	1.237	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1oc(C(C)C)nc1C	796212809	UGZAFWSYSJMUHA-SECBINFHSA-N	311.338	1.209	50	20	DDGD	
N#Cc1cccc(NNC(=O)[C@H]2CC(c3cccnc3)=NO2)c1	790806543	HHYVAXKKBJBBFD-OAHLLOKOSA-N	307.313	1.590	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)N2CCOCC2)[C@@H](n2cncn2)C1	794500305	XKJKQEFYERZBPP-YPMHNXCESA-N	306.370	1.037	50	20	DDGD	
CCN(CC)C[C@H](C)NC(=O)NNC(=O)c1cccc(C)n1	792929834	SJRRUNFESNHAAR-LBPRGKRZSA-N	307.398	1.064	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@H](O)CCc1ccccc1	791253761	WUUHMHXXBCZXOK-CYBMUJFWSA-N	311.345	1.166	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2	790562967	RNFJTLVJELYJSR-RYUDHWBXSA-N	318.377	1.474	50	20	DDGD	
Cc1cccnc1NNC(=O)c1ccc(N2CCOCC2)nc1	791225373	OAKCHPIGXKPGBS-UHFFFAOYSA-N	313.361	1.379	50	20	DDGD	
CNC(=O)NNC(=O)Cc1sc(SC(F)F)nc1C	793177551	UPZZOHMIPZRMGU-UHFFFAOYSA-N	310.351	1.269	50	20	DDGD	
O=S(=O)(CCCCCl)Nc1ccc(-c2nnn[nH]2)cc1	276236050	OLRGJJOOJUFQBJ-UHFFFAOYSA-N	315.786	1.627	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cccc(C)n2)ccc1O	794083617	JOXZTSVOKGGDMG-UHFFFAOYSA-N	301.302	1.179	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cc2c(F)cccc2[nH]1	798315336	SIVVEEPMUVIWKO-UHFFFAOYSA-N	318.230	1.813	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1cnn2ncccc12	798309981	HRIBIAWNZGXXJO-UHFFFAOYSA-N	310.317	1.504	50	20	DDGD	
COCCCNC(=O)NN=C1CC[C@@H](C)C[C@@H]1n1cncn1	794498907	FUTJNSWXTWXWLA-YPMHNXCESA-N	308.386	1.331	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccc(NC2CC2)nc1	798314161	ZKLWDMKMBPFLFD-UHFFFAOYSA-N	317.271	1.162	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNC(=O)CC2CC2)c(C)cc1C	797001187	GMXGBSNDWLROTA-UHFFFAOYSA-N	319.361	1.198	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cnn(-c2ccccc2)c1	791255849	IPVBDDOEEUPDAW-UHFFFAOYSA-N	319.328	1.672	50	20	DDGD	
C[C@H]1COCCC1=NNC(=O)COc1ccccc1[N+](=O)[O-]	794476667	PQZALZOTFARXHF-JTQLQIEISA-N	307.306	1.502	50	20	DDGD	
COc1ccc(C(=O)NNc2ccccn2)cc1OCCO	798337584	VLJZIIDJGVYMFS-UHFFFAOYSA-N	303.318	1.218	50	20	DDGD	
COc1ccc(/C=C(\C#N)S(N)(=O)=O)c(Br)c1	794714588	SXLABLOXNJZJQP-RUDMXATFSA-N	317.164	1.611	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1	1317908845	AFONNSQOKVWJAP-UHFFFAOYSA-N	321.362	1.593	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2noc3c2CCCC3)cc1	1317902148	DKPZXTHXMNHLRD-UHFFFAOYSA-N	315.329	1.637	50	20	DDGD	
N#CCc1ccc(S(=O)(=O)NNC(=O)c2ccccc2)cc1	1318965719	JFRKLJVLSZGEKU-UHFFFAOYSA-N	315.354	1.376	50	20	DDGD	
O=C(NCc1ccc(F)cc1)C1CCN(C(=O)CCl)CC1	1319923373	HCJIKAJYOMOJKC-UHFFFAOYSA-N	312.772	1.919	50	20	DDGD	
COC(=O)C(=O)NN=C1CC[C@H](c2ccccc2)C[C@H]1OC	1324474476	WWXWQVUDEYYJDJ-GXTWGEPZSA-N	304.346	1.614	50	20	DDGD	
Cc1c(NNC(=O)c2cnn3ccncc23)cccc1[N+](=O)[O-]	1321086741	BLRARZLPMAPUEL-UHFFFAOYSA-N	312.289	1.703	50	20	DDGD	
C[C@@H](CC(=O)OC(C)(C)C)NC(=O)NNc1ncncc1F	1324164435	XCRWFFKJUBQNLV-QMMMGPOBSA-N	313.333	1.362	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Nc2cnc(C)nc2)cc1	1321022764	IFMLSDZRSYKHEN-UHFFFAOYSA-N	301.306	1.260	50	20	DDGD	
Cn1ccc(NNC(=O)c2cccc(OC[C@@H]3CCCO3)c2)n1	1324864272	GLWMKRZOLLRQPT-AWEZNQCLSA-N	316.361	1.735	50	20	DDGD	
COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)CCl	1253963625	XNAUBJUTYKIPAY-UHFFFAOYSA-N	312.753	1.345	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)Nc1cccc2ccccc12	1325302630	DTKKPCIGKLUZFR-UHFFFAOYSA-N	312.373	1.992	50	20	DDGD	
C#C[C@H](NC(=O)NNc1ccc(C(C)(C)C)nn1)[C@H]1CCCO1	1320507233	UCWNKRMAANAPBV-NWDGAFQWSA-N	317.393	1.581	50	20	DDGD	
C[C@@]1(COC(=O)c2cc3n(n2)CCCO3)C[C@@H]1Br	1344051194	VHWALFGWXFEQQL-CABZTGNLSA-N	315.167	1.996	50	20	DDGD	
COCCN(C)NC(=O)c1c(Cl)ccnc1Br	1348624323	ZNIJRKWABUIIGE-UHFFFAOYSA-N	322.590	1.721	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N(CC(=O)O)C2CCCC2)cn1	1600946451	NBWMWFIMLLSQJF-WUXMJOGZSA-N	302.334	1.183	50	20	DDGD	
C[C@H]1CCc2[nH]nc(C(=O)NNc3cccc(C(=O)O)c3)c2C1	1604763226	JWUGWOXSTOHITO-VIFPVBQESA-N	314.345	1.990	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccccc1O[C@@H](C)C(=O)O	1606900741	USUPIGRNROBGTM-KWJWQAOWSA-N	319.313	1.635	50	20	DDGD	
Cc1nccn1CCNC(=O)NNc1cccc(C(=O)O)c1	1600757392	WOEWFMIZUHKRFZ-UHFFFAOYSA-N	303.322	1.216	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)c1ccnc(C2CC2)n1	1601560208	UVEGETVLUFDMRG-UHFFFAOYSA-N	316.292	1.948	50	20	DDGD	
Cc1c(NC(=O)[C@]2(C)C[C@@H]2Br)cnn1CC(=O)O	1607541130	UVUPAZDBFNVRDF-GZMMTYOYSA-N	316.155	1.388	50	20	DDGD	
N#CSCCCNS(=O)(=O)c1ccccc1C(=O)O	1601079990	XNNIEBQLXBELAK-UHFFFAOYSA-N	300.361	1.267	50	20	DDGD	
O=C(NNc1ccncn1)Nc1cc(C(=O)O)cnc1Cl	1601562299	YFVDMUNVEZZTBH-UHFFFAOYSA-N	308.685	1.372	50	20	DDGD	
Nc1c(NS(=O)(=O)CCCCCl)cccc1C(=O)O	1608272692	TVBVLTMKQODOLZ-UHFFFAOYSA-N	306.771	1.728	50	20	DDGD	
Cc1c(NNC(=O)CCN2CC[C@@H](F)C2)cccc1C(=O)O	1607552307	HUYGNEQBSOICPW-LLVKDONJSA-N	309.341	1.570	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cc(O)cc(-c2nn[nH]n2)c1	1605948002	LGAKMJQMFYCCKU-UHFFFAOYSA-N	311.305	1.033	50	20	DDGD	
COc1ccc(C(=O)NNc2cccc(C(=O)O)c2F)cn1	1607206311	SNASRAOIZGDLJS-UHFFFAOYSA-N	305.265	1.684	50	20	DDGD	
CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@](C)(Cl)CCl	1800079184	OPJRJJBKEWWKNC-NOHGZBONSA-N	307.221	1.881	50	20	DDGD	
CO[C@H]1CCCCN(CC(=O)N(C)CC(Cl)Cl)C1=O	1552209644	UBSBCQKHSSJOIU-VIFPVBQESA-N	311.209	1.276	50	20	DDGD	
NCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](F)Cl)CC1	1827607596	IQIJYQACHVYVJO-DGCLKSJQSA-N	319.808	1.099	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](N)c1ccc(Br)cc1	1578823172	RPIJIVFTZVAQAW-SECBINFHSA-N	316.155	1.178	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H](N)Cc2ccccc2)c1	1579832317	CEJAETSLQOMABU-GFCCVEGCSA-N	303.387	1.388	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2NCCC2(C)C)c(F)c1	1578870893	JZKWTMDEEWADSY-GFCCVEGCSA-N	309.341	1.444	50	20	DDGD	
O=C(C[C@@]1(O)CCNC1)NN=C(c1ccccc1)c1ccccc1	1580499434	BXDCEOKVPRYYHW-IBGZPJMESA-N	323.396	1.670	50	20	DDGD	
NCCCCCC(=O)NNC(=O)c1ccc(F)c2ccncc12	1580292770	PYMFRNJPXHTQFS-UHFFFAOYSA-N	318.352	1.654	50	20	DDGD	
CO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)CCl	1847437941	ZXKFYXMQHKNAKT-SRVKXCTJSA-N	316.829	1.488	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)N[C@H]1CCCC12CCCCC2	1580735646	AQWSHYHAEWENNQ-AWEZNQCLSA-N	322.453	1.819	50	20	DDGD	
C[C@H](O[C@H]1CS(=O)(=O)C[C@H]1Br)C(F)(F)F	253111347	DHJZGHQIXFVJGO-JKUQZMGJSA-N	311.119	1.514	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1c(F)cc(C(=O)O)cc1F	1776043079	GNKKLOBHNBHZFB-UHFFFAOYSA-N	319.267	1.751	50	20	DDGD	
O=C(O)/C=C/c1ccc(C=NNC(=O)c2ccc(O)nc2)o1	1776094181	FWHMUCUKJDLYSO-JRKOTLHCSA-N	301.258	1.242	50	20	DDGD	
N#CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl	1796805893	DAWHMECPPPBOIU-DTHBNOIPSA-N	301.749	1.463	50	20	DDGD	
CC1=C(C(=O)NNC(=O)COc2ccc(C)c(C)c2)CCCO1	158339659	LCQFUDJELQHXQO-UHFFFAOYSA-N	318.373	1.914	50	20	DDGD	
CSCC[C@H](NC(N)=O)C(=O)NNc1ccc(F)cc1C	160661133	YPVNEAZHPRPFNQ-NSHDSACASA-N	314.386	1.367	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)c1ccon1	151250904	UJOPHHJXTVRLPU-UHFFFAOYSA-N	315.264	1.279	50	20	DDGD	
O=C(CCc1nnc[nH]1)NNc1ccc(-c2ccccc2)nn1	151997227	XWGNAVKXIFRZPB-UHFFFAOYSA-N	309.333	1.338	50	20	DDGD	
O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNc1ccccc1F	153174693	ORTQGWRQDHLNIF-PHIMTYICSA-N	319.336	1.444	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@@H]1CCN(c2ccc(C)cc2)C1=O	157509415	VFDWVQISNGGQPJ-BMOGTNHUSA-N	313.357	1.661	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc(OC(F)F)c(F)c1	155787778	YZLVXOGRSBATQN-UHFFFAOYSA-N	320.271	1.141	50	20	DDGD	
COCCC1(C(=O)NNC(=O)Cc2ccc(F)cc2)CCC1	157868221	LEPPTPCGPIFCLS-UHFFFAOYSA-N	308.353	1.722	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)Cc1cccc(N(C)C)c1	120296692	ZNICDFDQLKYDJG-GFCCVEGCSA-N	306.410	1.130	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)CC1	287953411	WTKBJEOFAHOKJO-UHFFFAOYSA-N	301.730	1.718	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNC(=O)COc1cc(C)ccc1C	57182078	ZGEHHIWGKQJQBG-ZDUSSCGKSA-N	308.378	1.645	50	20	DDGD	
O=C(NNC(=O)c1ncoc1-c1ccccc1)c1ccncc1	112039931	NFNSGNJLMNRPIQ-UHFFFAOYSA-N	308.297	1.811	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCn2ccnc2C1	119688295	JHUQQNZLPKDHSZ-SNVBAGLBSA-N	301.306	1.497	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCCc1ccc2c(c1)OCCO2	170987011	QAJZOOHUQLDIFD-ACCUITESSA-N	302.330	1.560	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)[C@@H]2CCCO2)[nH]c(C)c1C(C)=O	53050092	RUGHUDYIORIZSP-LBPRGKRZSA-N	321.377	1.418	50	20	DDGD	
CN1CC[C@@H](NC(=O)NNc2ccc(Cl)cc2Cl)C1=O	172627449	WVMKHZXKUPLCBN-SNVBAGLBSA-N	317.176	1.850	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1	109824595	YXRNIEYGXPZXIY-CQSZACIVSA-N	317.433	1.887	50	20	DDGD	
CC(C)COc1cccc(C(=O)NNC(=O)c2cnn(C)c2)c1	117679583	VPHWZKOSDNTVDZ-UHFFFAOYSA-N	316.361	1.530	50	20	DDGD	
Cc1cc(NNC(=O)C[C@H](C)NC(=O)C2CCCCC2)ncn1	172275874	FYLVRRUFCRDZRX-LBPRGKRZSA-N	319.409	1.703	50	20	DDGD	
Cc1ccc(C(=O)NCCNC(=O)NNc2ccccn2)cc1	111501037	DVEIDYFABCKFEJ-UHFFFAOYSA-N	313.361	1.446	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)Nc2cccnc2Cl)cc1	119682438	REISZNKXVYZVJZ-UHFFFAOYSA-N	315.720	1.688	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)CCOc2ccccc2)cn1	61481845	IBLVYDJNEZUJRA-UHFFFAOYSA-N	300.318	1.015	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1cccc([N+](=O)[O-])c1	177063206	REVJPRBFJQUXLU-UHFFFAOYSA-N	315.289	1.385	50	20	DDGD	
Cc1cc(C)c(CC(=O)NNC(=O)c2cc(C)n[nH]2)c(C)c1	179982006	MJJCIVKHIYJMTM-UHFFFAOYSA-N	300.362	1.647	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)CO[C@@H]2CCCC[C@@H]2C)n1	112853055	PNRVHOQUPHCOHZ-SMDDNHRTSA-N	322.409	1.243	50	20	DDGD	
C[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)OC(C)(C)C	68518134	IGCRZUKMJJRDHQ-SNVBAGLBSA-N	307.350	1.361	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2CCC[C@@H](N(C)C)C2)n1	176588324	PBGZYKZIQFWBNK-VXGBXAGGSA-N	322.413	1.293	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cccc2[nH]c(=O)oc12	129281967	FXWNABALGYDGOI-UHFFFAOYSA-N	308.363	1.029	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NNc1ccc(C(C)(C)C)cc1	181127622	QGSZPDFEOKGPPF-JTQLQIEISA-N	313.423	1.365	50	20	DDGD	
Cc1oc(-c2ccco2)nc1CC(=O)NNC(=O)[C@@H]1CCCO1	124248916	WDKRQKKXUAYKJB-NSHDSACASA-N	319.317	1.112	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](C1CCCC1)C(F)(F)F	127715299	IFCLTDLFJLOIBF-SNVBAGLBSA-N	311.304	1.474	50	20	DDGD	
C=CCCOCCNC(=O)NNC(=O)Nc1ccccc1C	127381483	XOMGQOZXKDXKFY-UHFFFAOYSA-N	306.366	1.923	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2cc(F)c(F)cc2F)no1	127891829	KNOFHGIPAYOWAG-UHFFFAOYSA-N	314.223	1.482	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCCOc1ccccc1C	73799900	QIYNJOMDZZCTEZ-UHFFFAOYSA-N	307.419	1.835	50	20	DDGD	
Cn1c(NNC(=O)C2CCCCC2)nc2ccccc2c1=O	70905579	PAVUZMYGFCXHKM-UHFFFAOYSA-N	300.362	1.957	50	20	DDGD	
Cc1coc2ccc(NC(=O)C(=O)NNc3ncccn3)cc12	186332945	NHQOCQTZVRAFDW-UHFFFAOYSA-N	311.301	1.613	50	20	DDGD	
C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNc1cccc(Cl)c1	180904336	SNFHHQJCDHKQFC-QPUJVOFHSA-N	311.769	1.059	50	20	DDGD	
C[C@H]1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)C[C@@H]1C	122516550	YPAOIMCKSIOIGJ-STQMWFEESA-N	314.389	1.297	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)C(=O)Nc1ccc2[nH]ccc2c1	181984444	JRIDVTJNOVNPRJ-UHFFFAOYSA-N	322.324	1.568	50	20	DDGD	
Cc1ccc2nc(CSCC(=O)NNC(=O)C3CC3)cn2c1	78949730	BLPTVRIXFBCXSC-UHFFFAOYSA-N	318.402	1.433	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2csnc2C)cc1	183120812	QJFVDHAMOYKREG-UHFFFAOYSA-N	319.386	1.854	50	20	DDGD	
CC(=O)N(CCc1ccccc1)CC(=O)NNc1ccncc1	180445087	CPCNESJTVFTIRI-UHFFFAOYSA-N	312.373	1.616	50	20	DDGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NN(C)C(N)=O)c1C	182650954	VRFUDBHLIHKMJF-NTEUORMPSA-N	317.393	1.854	50	20	DDGD	
CN(C)c1cc(C(=O)NNC(=O)c2ccccc2F)ccn1	47054578	GZNMOCYULFAAML-UHFFFAOYSA-N	302.309	1.362	50	20	DDGD	
CSCCCNC(=O)NNC(=O)c1ccc2ccccc2n1	132567483	SASZDLOGOIMRBG-UHFFFAOYSA-N	318.402	1.932	50	20	DDGD	
C[C@H]1CCc2c(C(=O)NNC(=O)N3CCOCC3)csc2C1	194898986	VWBKZOSDDISMKW-JTQLQIEISA-N	323.418	1.560	50	20	DDGD	
O=C(C[C@@H]1CCCCO1)NNC(=O)c1cccc2ncccc12	87319704	DIVPZTPXTPBSPC-LBPRGKRZSA-N	313.357	1.955	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)c1cccn1C)c1ccccc1	194316309	COSRIKAPUFKNAL-CQSZACIVSA-N	301.346	1.564	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(CSc2nccn2C)o1	139191872	NYKDKYPPXSRRBL-UHFFFAOYSA-N	323.378	1.269	50	20	DDGD	
CCOC(=O)c1[nH]ncc1/C=C(/C#N)C(=O)NC1CCCCC1	133428266	LQCRTVKRMQCTBD-FLIBITNWSA-N	316.361	1.942	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)C[C@H]2CCCCO2)cc1	88280172	FHCBCPCIEIYYPM-CQSZACIVSA-N	320.393	1.865	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1cc(C#N)cc(Cl)n1	93543643	ZYNPDTFBYWVZDB-VIFPVBQESA-N	312.757	1.491	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21	268472466	GONABSFSBGVKMI-ZNMIVQPWSA-N	317.389	1.897	50	20	DDGD	
CCN(CCOC)C(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	264299249	RFNRTPOPXPNMLS-RIYZIHGNSA-N	300.362	1.607	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(N2CCOCC2)c(F)c1	263951045	KTCYQIIBRASLQC-UHFFFAOYSA-N	312.301	1.055	50	20	DDGD	
O=C(CCn1ccnc1)NNc1ccc(C(F)(F)F)nn1	270038288	JSXVIYGKKYRHED-UHFFFAOYSA-N	300.244	1.225	50	20	DDGD	
N#CC1=CCN(C(=O)CCNC(=O)OCC(F)(F)F)CC1	270981290	VMJBJBXYTOHWTM-UHFFFAOYSA-N	305.256	1.347	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccccc1OC(C)C	274022292	ARPSHMKBTMPBSY-NSHDSACASA-N	321.377	1.606	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1ccc(F)c(C)c1	272544780	HKDIRNKFWFOZRI-SNVBAGLBSA-N	313.329	1.338	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(C)=O)c(OC(F)F)c1	274175975	JIIMVTYUGFWKLP-UHFFFAOYSA-N	317.248	1.247	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(OC)c(OC)cc1OC	272654107	FTTBFESSXTVXPD-UHFFFAOYSA-N	311.338	1.019	50	20	DDGD	
C[C@@H]1Oc2ccc(NC(=O)NNC(=O)CC3CC3)cc2NC1=O	273315817	JFDDOYNXZIUCFD-QMMMGPOBSA-N	318.333	1.359	50	20	DDGD	
COc1nccnc1NNC(=O)CSC[C@H]1CCCCO1	274076044	KXJNBIYISHAYHT-SNVBAGLBSA-N	312.395	1.231	50	20	DDGD	
COC(=O)COc1cccc(NC(=O)NNC(=O)CC(C)C)c1	273510210	SVNOTBMOHGUOQP-UHFFFAOYSA-N	323.349	1.437	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NNc1ccc2ccccc2n1	271958054	FFWXQYVZRUWSJW-ZDUSSCGKSA-N	314.389	1.646	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H]2C[C@@]23CCOC3)c1	372054508	ZECHPEBWZRWWHQ-CZUORRHYSA-N	315.398	1.412	50	20	DDGD	
CCOc1cc(F)ccc1NC(=O)C(=O)NNC(=O)C1CCC1	274148692	YNUBHXSKGRZLDU-UHFFFAOYSA-N	323.324	1.110	50	20	DDGD	
Cn1cc([C@H]2OCC[C@@H]2C(=O)NNC(=O)CC2CCCC2)cn1	275609110	QVKDJTKWRZILNP-DZGCQCFKSA-N	320.393	1.225	50	20	DDGD	
CCc1nc([C@H](C)NC(=O)/C(C#N)=C\c2ccc(O)cc2)n[nH]1	279887347	OBAPHUZVMCFCIJ-UVIKPUKZSA-N	311.345	1.857	50	20	DDGD	
O=C(NCC1CC1)C(=O)NNc1cc(Cl)cc(Cl)c1	276929305	XNQVPDJFCUEXJW-UHFFFAOYSA-N	302.161	1.963	50	20	DDGD	
CC(C)(O)CCNC(=O)NNC(=O)c1ccc(Cl)cc1F	274950859	RNQMTISLRYJWSI-UHFFFAOYSA-N	317.748	1.584	50	20	DDGD	
COC(=O)NNC(=O)[C@H]1CCCN1c1ncnc2sccc12	370387021	GBZFLEIMEMKIKD-SECBINFHSA-N	321.362	1.047	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1nc(C(C)C)oc1C	285626669	KOIJFIYXESVYHY-UHFFFAOYSA-N	324.381	1.172	50	20	DDGD	
CC[C@@H]1C[C@H]1NC(=O)NNC(=O)Cc1nc2ccccc2n1C	280826310	SVBIVVBPELJWSY-ZYHUDNBSSA-N	315.377	1.245	50	20	DDGD	
CCOC1CC(C(=O)NNc2nc(-c3cccnc3)no2)C1	289253314	VVABEVQLPPATOY-UHFFFAOYSA-N	303.322	1.390	50	20	DDGD	
CCn1c(NNC(=O)CC(C)(C)O)nc2ccccc2c1=O	280858987	QIJFFIXRGVBQNX-UHFFFAOYSA-N	304.350	1.021	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNc1nc2ccccc2c(=O)n1C	282714616	LQFFDBPCESHSQK-CWSCBRNRSA-N	316.361	1.190	50	20	DDGD	
COCCN(C)NC(=O)Cc1cccc(OC(F)(F)F)c1	288561768	QFXDCAUXJQBVNF-UHFFFAOYSA-N	306.284	1.737	50	20	DDGD	
COc1ccc(NNC(=O)[C@@](C)(O)CCc2ccccc2)nc1	283820306	STBQWSLQQSTFCB-KRWDZBQOSA-N	315.373	1.917	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](C)Cn1ccc2ccccc21	285898823	UVTWOMAYQSGGGT-GFCCVEGCSA-N	302.378	1.970	50	20	DDGD	
COC(=O)N(C)NC(=O)Cc1cc(F)ccc1Br	286273276	IHDDYKZYODTXNB-UHFFFAOYSA-N	319.130	1.860	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C[C@@H]2CCC(=O)[C@@H]2C)cc1	280061446	SWKUXNQXMHNVEN-OLZOCXBDSA-N	317.389	1.560	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CO)cc(Cl)c1Br	807198377	JSVWEAFQHCUGHO-UHFFFAOYSA-N	321.558	1.164	50	20	DDGD	
CN(NC(=O)c1ccccc1OCC(N)=O)C(=O)OC(C)(C)C	297821656	XNQNROWRUBMENP-UHFFFAOYSA-N	323.349	1.062	50	20	DDGD	
Cc1nc2ccccc2n1CCNC(=O)NNC(=O)CC(C)C	298765138	PZJICOPJWFVLQY-UHFFFAOYSA-N	317.393	1.721	50	20	DDGD	
O=C(CCc1cncnc1)NNc1ccc(C(F)(F)F)nn1	293669126	WEQRECUFJXQEGJ-UHFFFAOYSA-N	312.255	1.361	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNC(=O)COc1ccc(C)c(C)c1	809933723	RSTOTFXMPKPOJQ-INIZCTEOSA-N	306.362	1.157	50	20	DDGD	
Cn1cncc1CC(=O)NNc1nc(C(F)(F)F)cs1	807037536	UOEFYXAESUJNLV-UHFFFAOYSA-N	305.285	1.581	50	20	DDGD	
Cc1oc2ccccc2c1CNC(=O)NNC(=O)[C@@H]1CCCO1	292403623	TUXCSPMZPFSIQI-AWEZNQCLSA-N	317.345	1.751	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	295253948	FKCIZIORAURSJK-JGVFFNPUSA-N	303.240	1.353	50	20	DDGD	
Cc1noc2nc(C3CC3)cc(C(=O)NNC(=O)CC3CC3)c12	294309775	XMNCUSZTSIPWRP-UHFFFAOYSA-N	314.345	1.970	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)C2=CCCCC2)cc1	291177392	KJJJCLGMEFXURZ-UHFFFAOYSA-N	323.418	1.880	50	20	DDGD	
O=C(NC[C@H]1CCCCC1(F)F)NNC(=O)c1ccc[nH]1	297663405	OOEFLNDRHZYTLN-SECBINFHSA-N	300.309	1.784	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCO[C@@H](CC)C1	807369112	QKSXOTJTXALICX-RYUDHWBXSA-N	316.398	1.128	50	20	DDGD	
N#Cc1c[nH]c(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)c1	802002493	PQVJZWNLBXYSFI-UHFFFAOYSA-N	305.244	1.631	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	294351735	MATSCHNYXQIUGM-GXFFZTMASA-N	312.341	1.556	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1cccc2[nH]ncc12	804952856	XOGQJPURWZFWNY-UHFFFAOYSA-N	320.316	1.296	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNC(=O)Nc1ccc(OC)cc1	802063041	XXAFTUVFWMDFIO-VIFPVBQESA-N	309.322	1.047	50	20	DDGD	
Cc1ncc2n1CC[C@H](C(=O)NN(C)C(=O)OC(C)(C)C)C2	297322054	RLGXRNWGAHJSKE-NSHDSACASA-N	308.382	1.652	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)Nc1cc(F)cc(F)c1	802001154	YAHFBDHDYLXIHM-UHFFFAOYSA-N	309.276	1.648	50	20	DDGD	
Cc1ccoc1C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802097055	MGWCSKWTSCEYIY-UHFFFAOYSA-N	303.274	1.783	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@H](CC(N)=O)C1	813841037	FZLVBESZCOIEAF-GKWYLQRDSA-N	301.321	1.457	50	20	DDGD	
CSCCCC=NNC(=O)C1CCN(c2ncccn2)CC1	814837246	NPQSEOVZXXMEKS-UHFFFAOYSA-N	321.450	1.938	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)c2cc3c(s2)CCC3)cn1	814738578	FBQGHDVUROUMCT-UHFFFAOYSA-N	315.402	1.857	50	20	DDGD	
O=C(NN=C1CC[C@H]1C1CC1)c1csc(N2CCOCC2)n1	814749633	GNSWEFVCHCBPBU-NSHDSACASA-N	320.418	1.886	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)c1ncoc1C1CC1	815441603	BOTVVASYAPMYOK-UHFFFAOYSA-N	324.340	1.968	50	20	DDGD	
C[C@](C#N)(CC(=O)O)C(=O)NNC(=O)c1cc2ccccc2o1	819846908	IDWJUPHUCRBGMR-OAHLLOKOSA-N	315.285	1.198	50	20	DDGD	
CN(NC(=O)CCCNC(=O)c1ccc(Cl)cc1)C1CC1	819642004	BVDGCLIDIHRXQW-UHFFFAOYSA-N	309.797	1.975	50	20	DDGD	
C#CCOc1ccc(C=NNC(=O)c2cnccn2)cc1OCC	818285484	HIKHKOLTVGAKRY-UHFFFAOYSA-N	324.340	1.651	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	726769346	YUKAMZVKFNVBAN-UHFFFAOYSA-N	314.729	1.606	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C	490813780	REQAWAZDGPENPC-OCUQMRJBSA-N	311.382	1.850	50	20	DDGD	
CCc1nncn1CCNC(=O)/C(C#N)=C/c1ccc(F)cc1	490871702	AMNFDMXMKJSPCV-UKTHLTGXSA-N	313.336	1.703	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C	495693071	LQBLLUDCDCIPAR-DTWKUNHWSA-N	303.359	1.265	50	20	DDGD	
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NN(C)[C@@H](C)CO	823966068	YQNGPGLYGMUBBE-WFASDCNBSA-N	305.378	1.305	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(C)cc3c[nH]nc23)c(O)c1	726621319	GQWNAARCGQIBDP-UHFFFAOYSA-N	324.340	1.960	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1ccc(O)cc1F	729933324	XHNNWRZORGQMPO-UHFFFAOYSA-N	319.292	1.395	50	20	DDGD	
CCNC(=O)CCCC(=O)NNc1oc(C(C)C)nc1C#N	729528980	NMZQPVQTALKWGE-UHFFFAOYSA-N	307.354	1.419	50	20	DDGD	
CCOC(=O)NNC(=O)c1cccc(OCc2noc(C)n2)c1	494160649	VLXOUXOSDTVRPB-UHFFFAOYSA-N	320.305	1.348	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1	823869926	SJXRBGULOJVRGT-NSHDSACASA-N	307.177	1.372	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NN(CC)CCO)cc1	823841032	BEEUJXFIHIKTKE-KAMYIIQDSA-N	303.362	1.338	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CC2(O)CCC2)cc1C	822195916	NRLFQMCZUOMGQM-UHFFFAOYSA-N	306.362	1.135	50	20	DDGD	
CCn1ccc(NC(=O)NNc2ccc(CC(=O)OC)cc2)n1	824963363	QDCXQEPNBJUCKX-UHFFFAOYSA-N	317.349	1.767	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cccc(OC(F)F)c1	495409496	ZIBVEVQLCQNCQZ-UHFFFAOYSA-N	317.248	1.004	50	20	DDGD	
CCC(CC)[C@@H](CNS(=O)(=O)CCl)N1CCOCC1	820784755	XIKCSPXAOCWELX-GFCCVEGCSA-N	312.863	1.239	50	20	DDGD	
C[C@H]1CCCCN1CCCNC(=O)/C(C#N)=C\c1cnn(C)c1	491048948	MBGOWMQUTSIASU-FBKCMUNRSA-N	315.421	1.708	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@@H](c2ccccc2)[C@H](C)C1	827893365	BUVKQWJWSWBHOZ-GDBMZVCRSA-N	317.433	1.915	50	20	DDGD	
O=C(CCOCC1CC1)NNc1ccc(-c2nn[nH]n2)cc1	826407773	AHXWEAIAQMBYPB-UHFFFAOYSA-N	302.338	1.127	50	20	DDGD	
C[C@]1(C(=O)N[C@H]2CN(c3ccccc3)C2=O)C[C@H]1Br	907288498	PLBVUVKALAOKSP-WDMOLILDSA-N	323.190	1.692	50	20	DDGD	
C[C@@H]1CCC[C@@]1(C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C	496994257	FYJWERYYQOXPFF-MEBBXXQBSA-N	313.398	1.485	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-]	823889342	RYXBRJYLKJVHOS-UHFFFAOYSA-N	301.730	1.516	50	20	DDGD	
CCOC(=O)N[C@H](C(=O)NNC(=O)c1ccccc1)C(C)C	490576100	JWQKUZSMYQTWIO-LBPRGKRZSA-N	307.350	1.218	50	20	DDGD	
CN1C(=O)CC[C@@H]1CC(=O)NNC(=O)CCCc1ccccc1	825745051	UOLGEZIZEDTZGY-CQSZACIVSA-N	317.389	1.168	50	20	DDGD	
CCOC(=O)NNC(=O)c1nc(CC)n(-c2ccccc2)n1	491453096	RFJOTAFYXYVCHL-UHFFFAOYSA-N	303.322	1.221	50	20	DDGD	
CCN1C[C@H](C(=O)NNc2nc3c(C)cccc3s2)CC1=O	828367505	QYCSMGCGLSJTAG-SNVBAGLBSA-N	318.402	1.916	50	20	DDGD	
C[C@H](O)[C@@H]1CCCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)C1	490876576	KITHKRXDIRZAOO-LJDHDPBFSA-N	300.358	1.919	50	20	DDGD	
CCCN(NC(=O)[C@@H](CC)C(=O)OC)C(=O)OC(C)(C)C	495696722	UGSXCXXGXBZDBD-SNVBAGLBSA-N	302.371	1.864	50	20	DDGD	
Cn1ncc2c(O)nc(CCC(=O)NNc3ccccc3)nc21	732265701	YKPJCXKONGNKBK-UHFFFAOYSA-N	312.333	1.145	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cccc(CN2CCOCC2)c1	732056319	RRYXJFRUFNMZOX-UHFFFAOYSA-N	319.405	1.326	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NCB(O)O)c3ccccc3n2)o1	585060871	GBDDUQAEOXMOMU-UHFFFAOYSA-N	310.118	1.545	50	20	DDGD	
CC[C@H](CCc1ccccc1)NC(=O)c1ccc(B(O)O)cc1	585010273	LVBKXGLHMZQTSW-QGZVFWFLSA-N	311.190	1.508	50	20	DDGD	
O=C(NCB(O)O)c1sc2cccc(Cl)c2c1Cl	585061823	IOEZSKRUAINVLZ-UHFFFAOYSA-N	303.963	1.950	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc2c(cc1F)NC(=O)CC2	495525193	DFCAWARNHHYGBZ-UHFFFAOYSA-N	310.285	1.493	50	20	DDGD	
C=C(CI)n1cc([C@H](N)C(C)C)nn1	900641501	WLZVJXLBRDTULJ-SECBINFHSA-N	306.151	1.840	50	20	DDGD	
COCCCNC(=O)NN=C[C@H](C)CNC(=O)OC(C)(C)C	496401305	HUMFEAWIZGOHIZ-LLVKDONJSA-N	316.402	1.469	50	20	DDGD	
O=C(NCC1(c2ccncc2)CCCC1)c1cccc(B(O)O)c1	584968780	NRBCIGAARHSCSN-UHFFFAOYSA-N	324.189	1.003	50	20	DDGD	
CC(C)(C(=O)NN=Cc1cnc2n1CCOC2)c1ccccc1	905444042	HNFCZRATFYLHRJ-UHFFFAOYSA-N	312.373	1.841	50	20	DDGD	
CC1(C)C[C@@H](c2ccccc2)N(C(=O)c2ccc(B(O)O)cc2)C1	585001685	YJGBKVYRRMRQLA-KRWDZBQOSA-N	323.201	1.980	50	20	DDGD	
CCC[C@H](CC1CCCC1)C(=O)NNC(=O)C(=O)NC(C)C	733251647	JQCTVFHXURVDRW-CYBMUJFWSA-N	311.426	1.655	50	20	DDGD	
CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)NNC(=O)C1CC1	493775978	BSEVIKFPEUGSJE-HNNXBMFYSA-N	313.398	1.485	50	20	DDGD	
CC(C)[C@@H]1CC[C@H](C)CCN1C(=O)c1cccc(B(O)O)c1	584950784	ZKTAMJWUPIVLKI-BBRMVZONSA-N	303.211	1.653	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCC[C@@H]1CCCN(C)C1	838768765	NZPMYFQVCMHRJN-AWEZNQCLSA-N	318.421	1.671	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNc1ncc(F)cc1F	837208476	KZXYITQTSJYXBI-UHFFFAOYSA-N	301.293	1.782	50	20	DDGD	
CN(CCNC(=O)[C@]1(C)C[C@H]1Br)CC(F)(F)F	906662731	NHZKIBFIFJWAFQ-VXNVDRBHSA-N	317.149	1.770	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)OCCO[C@H]2CCCCO2)cn1	837971497	PBQJZIAQOJCXFT-MQJVFOOVSA-N	305.334	1.413	50	20	DDGD	
O=C(N[C@H]1CC[C@@H](Cc2ccccc2)C1)c1ccc(B(O)O)cc1	584979153	MCMJATKUTSODFD-YJBOKZPZSA-N	323.201	1.508	50	20	DDGD	
C[C@H](NC(=O)NNc1ncc(F)cc1F)[C@H]1CCCOC1	838549517	ZZZQIFIMKUMQTR-IUCAKERBSA-N	300.309	1.801	50	20	DDGD	
CS(=O)(=O)c1ccc(C(=O)NNC(=O)CC2CCCC2)o1	733360316	HUBDSWAMXAHUAX-UHFFFAOYSA-N	314.363	1.024	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NN=Cc1cc(C(=O)O)ccc1O	739340992	GXLGPGKMABNJQA-UHFFFAOYSA-N	316.288	1.922	50	20	DDGD	
O=C(Cc1csc(-c2ccoc2)n1)NNC(=O)C1CCC1	737846893	CFHHBTWSKSJLKI-UHFFFAOYSA-N	305.359	1.893	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1cccc(O[C@@H](C)C(=O)O)c1	735411750	SQEQREBXRSNSBQ-JTQLQIEISA-N	316.317	1.334	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2CC23CCSCC3)n1	830962344	REKFJJHUNRCNAM-LLVKDONJSA-N	305.403	1.684	50	20	DDGD	
CCn1cc(C=NNC(=O)c2nnc(-c3ccccc3)o2)cn1	732528498	MHSXYKMCPPUZGG-UHFFFAOYSA-N	310.317	1.717	50	20	DDGD	
CNC(=O)CC1CCN(C(=O)[C@]2(C)C[C@@H]2Br)CC1	906877159	BHGUZXBKNNQRMJ-GXFFZTMASA-N	317.227	1.535	50	20	DDGD	
CC(C)c1ccc(NNC(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)cc1	837053321	RJMCFABLGZVNQZ-IAQYHMDHSA-N	319.405	1.529	50	20	DDGD	
CC(C)Oc1ccc(CCNCc2ccccc2B(O)O)cc1	585013876	ANSLPHPZEFYFMT-UHFFFAOYSA-N	313.206	1.486	50	20	DDGD	
NC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ccccc1OC(F)(F)F	907530436	YVFNKZVNIGUDNV-RQJHMYQMSA-N	303.240	1.150	50	20	DDGD	
C=C[C@@H]1OCCC[C@H]1NC(=O)NNc1cccc([N+](=O)[O-])c1	838684002	UAFZDZCBUDVUEE-OLZOCXBDSA-N	306.322	1.955	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H]2CCCCN2C)ccc1F	837038338	QVAZMTFZHGOPGA-CYBMUJFWSA-N	309.341	1.540	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C#CC1CC1	837583988	MJBWTLQUAMFIOV-JTQLQIEISA-N	306.749	1.668	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCC[C@@H](C)OC)cc1F	838187228	ZAALLKNXCXKTGS-SECBINFHSA-N	313.329	1.663	50	20	DDGD	
CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CC[C@@H](B(O)O)C1	585067525	XPSLLGIWTSXUTG-SNVBAGLBSA-N	311.574	1.573	50	20	DDGD	
CCC(C)(C)OCCNC(=O)NNc1nc2ccccn2n1	838741290	ONFKQSJFNQPTKA-UHFFFAOYSA-N	306.370	1.561	50	20	DDGD	
CCOCCCCNC(=O)NNC(=O)Nc1ccc(OC)cc1	836225253	RYSVWJKLMYEWFV-UHFFFAOYSA-N	324.381	1.848	50	20	DDGD	
CO[C@@H]1CC(=NNC(=O)C(=O)Nc2ccccn2)C12CCC2	834962541	XVFJTUHPMGVKSO-LLVKDONJSA-N	302.334	1.081	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1CNC(=O)NNC(=O)c1ccc(C#N)cc1	836264674	JNLSYXRCROTSPV-KBPBESRZSA-N	300.362	1.794	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc2c(c1)CCO2	831217568	BXYNYUPZFGKWHL-CABZTGNLSA-N	305.334	1.199	50	20	DDGD	
Cc1nc(Cl)sc1C(=O)NNC(=O)[C@@H]1CCCCO1	833246531	MELWRYLRFSIDPB-ZETCQYMHSA-N	303.771	1.435	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=O)Nc2ccc(OC)cc2)CC1	831939791	GEKMLPGFLZVGEM-UHFFFAOYSA-N	305.334	1.607	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1ccc2c(c1)CCO2	917543954	UTSCJSAMLFUNKU-CYBMUJFWSA-N	317.389	1.040	50	20	DDGD	
C[C@]1(C(=O)N2CC[C@@H](N3CCOC3=O)C2)C[C@@H]1Br	912401260	RUFJYEHRUHVHNV-PTRXPTGYSA-N	317.183	1.213	50	20	DDGD	
C[C@@H]1CCCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C1	744385562	WIDKZLQTMYENGO-GFCCVEGCSA-N	300.362	1.051	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNc1cc(O)nc2ncccc12	913989893	SZGCZOCKAPRITI-UWVGGRQHSA-N	304.350	1.697	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H](C)C(F)(F)F)c1	742473809	NFHBCLFBAPGKSS-SSDOTTSWSA-N	320.267	1.663	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCc1c[nH]c2ccccc12	843639663	JEYVIJFDZXJOSB-WCQYABFASA-N	315.373	1.673	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@](C)(O)c1cccc(C(F)(F)F)c1	910165422	INJBCAADWQLZSQ-TVQRCGJNSA-N	320.311	1.257	50	20	DDGD	
Cc1oc2ncnc(O)c2c1C(=O)NNC(=O)NC1CCCC1	744059555	SJZWFUACQTUUBV-UHFFFAOYSA-N	319.321	1.123	50	20	DDGD	
CCC(=NNC(=O)c1ncccn1)c1ccc2c(c1)OCCO2	841659414	GPQUPSZPORBREC-UHFFFAOYSA-N	312.329	1.792	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@H](C)c1ccco1	743294167	SAYCMDMMBMUFQC-LLVKDONJSA-N	317.345	1.651	50	20	DDGD	
O=C(NNc1ncncc1Cl)N[C@@H]1CCCN2CCCC[C@@H]12	848674951	MYYCKEKJFGIRAT-NEPJUHHUSA-N	324.816	1.773	50	20	DDGD	
Cc1cc(C)c(OCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(C)c1	843645821	IMKABQSLGRCUDW-KBPBESRZSA-N	320.389	1.563	50	20	DDGD	
N[C@@H](CNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)C1CC1	846673594	CSYDDCJKYQFMSY-KYVBTAMFSA-N	301.228	1.794	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H]2CC[C@H](CN)C2)cc1	842009535	DSLGMMQHJFVGNL-GXTWGEPZSA-N	304.394	1.320	50	20	DDGD	
O=C(NCC[C@@H]1C[C@H]2C=C[C@H]1C2)NNC(=O)[C@@H]1CCCCO1	847404310	XYMZIVPPEOTNSP-FQUUOJAGSA-N	307.394	1.488	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H]2C[C@@H](C(=O)OC)C2)cc1	840452966	LZSHWCCSQZXEOM-BETUJISGSA-N	319.361	1.145	50	20	DDGD	
COCC1(CC(=O)NNc2ccc(F)c(C(=O)OC)c2)CC1	843900730	DSGHRFMWKQXAHG-UHFFFAOYSA-N	310.325	1.872	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c1	748380271	NKEIYNKKBVDBNN-UHFFFAOYSA-N	316.317	1.517	50	20	DDGD	
N#CC1(CNC(=O)NNC(=O)c2cc3c(s2)CCC3)CCC1	842196702	OQSCWLHDEHJEHA-UHFFFAOYSA-N	318.402	1.875	50	20	DDGD	
Cc1cccc(NC(=O)NN(C)C(=O)N2CCNCC2)c1F	841174829	DCZCNKYPLDOPSL-UHFFFAOYSA-N	309.345	1.128	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@H]1CCCN(O)C1=O	848139099	XLENKSTVYQUQQM-YKWSONSWSA-N	303.293	1.229	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=Cc1cncn1CC	841606280	DAFZNEDRWABRHV-UHFFFAOYSA-N	300.362	1.995	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1ccc2c(c1)CCO2	748136488	LBEMOOMOHTZVQW-UHFFFAOYSA-N	301.346	1.084	50	20	DDGD	
COCCOc1cccc(C=NNC(=O)[C@@H]2CCO[C@H]2C)c1	842555636	MHNLBJRUYZBNMH-SWLSCSKDSA-N	306.362	1.587	50	20	DDGD	
COc1ccc2c(=O)c(C(=O)NNC(=O)C(C)(C)C)c[nH]c2c1	917180776	WSIKPUZLQXUUAB-UHFFFAOYSA-N	317.345	1.344	50	20	DDGD	
CCCCCCO[C@@H](C)C(=O)NNC(=O)N=c1cc[nH]cc1	840445881	UCUGMGOFRSCHLM-LBPRGKRZSA-N	308.382	1.642	50	20	DDGD	
CCCCc1ccc(CC(=O)NNC(=O)c2ncccn2)cc1	841354879	UMHYSGVQKDVMHV-UHFFFAOYSA-N	312.373	1.823	50	20	DDGD	
N[C@@H]1CCC[C@@H](NC(=O)NNC(=O)c2cc3ccccc3o2)C1	841982748	IJXRJHKEGQSFJD-VXGBXAGGSA-N	316.361	1.647	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@H]2CCO[C@H]2C)cc1	843276346	AYINBESOMLLKOL-CABZTGNLSA-N	309.391	1.438	50	20	DDGD	
O=C(COc1cccc2ccccc12)NNC(=O)NCC1CC1	920859183	DBKCXQONYPXOAD-UHFFFAOYSA-N	313.357	1.959	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H](C)n2cccn2)c1	920430724	FWJOZSMTJVGCAF-LLVKDONJSA-N	303.391	1.770	50	20	DDGD	
C[C@H]1CN(C2CC2)CC1=NNC(=O)[C@H]1COc2ccccc2O1	755881205	VVFQFRHZMZGFOL-MEDUHNTESA-N	315.373	1.413	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC[C@@]2(C)CCCO2)cc1	756084275	JUWQIJVHJKBQFA-MRXNPFEDSA-N	321.377	1.273	50	20	DDGD	
CC1(C)CN(C[C@H](CBr)C2CC2)CCN1CCO	859269341	NTLGRLVSJVUKGW-ZDUSSCGKSA-N	319.287	1.796	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(C#N)c(Cl)c1)N1C(=O)CCC1=O	753314067	YCJWXCKKXPNGGV-QMMMGPOBSA-N	320.736	1.192	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)c1cnc2n1CCCCC2	857354047	LXIJUXLWOOYDOR-UHFFFAOYSA-N	306.757	1.810	50	20	DDGD	
CCn1nccc1CNC(=O)NNC(=O)Nc1ccccc1C	852715236	DYZIPARDKZSMRA-UHFFFAOYSA-N	316.365	1.747	50	20	DDGD	
Cn1nnc2cc(C(=O)NC[C@]3(C)C[C@@H]3Br)ccc21	857398913	UICKNOOGBXBNMU-AAEUAGOBSA-N	323.194	1.872	50	20	DDGD	
CC[C@H]1COCC1=NNC(=O)c1csc(N2CCOCC2)n1	853274947	HDYNYWHQROJJSP-JTQLQIEISA-N	324.406	1.122	50	20	DDGD	
Cc1ncc2n1C[C@H](C(=O)NNc1ncc(Cl)cn1)CC2	857730044	KQAIECZBSLWFRQ-SECBINFHSA-N	306.757	1.341	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@H](C)OCC(C)C)c1O	920809434	JMXUVDALRPXSHE-JTQLQIEISA-N	310.350	1.223	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2ccc([N+](=O)[O-])cc2F)n1	855626667	LWEHXSFRRAVKHV-UHFFFAOYSA-N	308.273	1.411	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1cc(C)c(Cl)c(C(=O)O)c1	759092885	XZRYOTJCIIRFCC-UHFFFAOYSA-N	320.754	1.066	50	20	DDGD	
C[C@H]1Cc2ccccc2C1=NNC(=O)CNC(=O)c1ccco1	751132932	JOSVCQRXOKVXMG-NSHDSACASA-N	311.341	1.722	50	20	DDGD	
CC(C)(C)n1nnc(C=NNC(=O)c2ccc(Cl)cc2)n1	853258467	QGHRUGPQCZSXFB-UHFFFAOYSA-N	306.757	1.845	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1c2c(nn1C)CCCC2)C1CC1	855099257	VKOSCMQWBPBKNG-VIFPVBQESA-N	321.450	1.206	50	20	DDGD	
Cc1cccc(C)c1OCCNC(=O)NNC(=O)c1cn[nH]c1	858143222	UNWCJIBATXFRRV-UHFFFAOYSA-N	317.349	1.050	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H]2CCCC[C@H]2N)C[C@H]1Br	857105827	SQHBCHSYCHTHKL-DNRKLUKYSA-N	304.232	1.729	50	20	DDGD	
CC(C)(C)n1cnc(C(=O)NNc2ccc([N+](=O)[O-])cc2F)n1	855626700	NKHYXZFEJCGJTG-UHFFFAOYSA-N	322.300	1.837	50	20	DDGD	
CC1CC(NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C)C1	852190872	RBGIURQGLVZFLV-UHFFFAOYSA-N	312.414	1.058	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@H]1CC12CCC2	759691260	VGIRRNVHNVSKHL-ZWNOBZJWSA-N	302.330	1.164	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@H](C)[C@H](CO)C1	857365734	RQRWQOBCTRIXCG-GWCFXTLKSA-N	313.829	1.829	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)CCC1CCC1	855832190	XAYNDPJBGCGENT-UHFFFAOYSA-N	311.426	1.657	50	20	DDGD	
CC(C)Nc1ncccc1C(=O)NNC(=O)OCC(F)(F)F	856023492	LKMMCWUSWPOTFB-UHFFFAOYSA-N	320.271	1.835	50	20	DDGD	
Cc1ccc(Oc2ccccc2)c(NC(=O)NNC(=O)CO)c1	757614629	QKQVULFBBHXDCI-UHFFFAOYSA-N	315.329	1.932	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2CCCS(=O)(=O)C2)C[C@H]1Br	857732555	AWQUPWSKFWODKZ-IQJOONFLSA-N	324.240	1.101	50	20	DDGD	
O=C(NN=Cc1cc2ccccc2o1)[C@@H]1CN2CCC[C@@H]2CO1	853388664	PTLONRDYFZJSOG-CJNGLKHVSA-N	313.357	1.746	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCCCc1nc[nH]n1	923134319	DRYNJZTVSVHREM-UHFFFAOYSA-N	302.382	1.934	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ccnc(Cl)c2)CCC1	855466093	GLOIUEWZPHIFSF-UHFFFAOYSA-N	303.771	1.145	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccncc2)c(C)n1	757683565	SESGZRDCAQKLJY-UHFFFAOYSA-N	301.306	1.260	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C2(N(C)C)CC2)c1C	854185932	AXQGOGKZVMOCAG-UHFFFAOYSA-N	306.435	1.715	50	20	DDGD	
O=C(NN=CC1CCSCC1)c1ccc(-n2cnnn2)cc1	853277349	ORMHPZIKXWAHNM-UHFFFAOYSA-N	316.390	1.521	50	20	DDGD	
C=CCCn1cc(C=NNC(=O)Cc2ccccc2OC)nn1	853292427	DWGQJBQTSOLGGY-UHFFFAOYSA-N	313.361	1.556	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NNc2ccc([N+](=O)[O-])cc2F)C1	855622428	FROSJSAFLCNCOZ-SECBINFHSA-N	324.312	1.436	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)C[C@](C)(O)c1ccccc1)C1CC1	855099886	PUAOUUKKAQIKKE-ZBEGNZNMSA-N	321.446	1.578	50	20	DDGD	
COCc1cccc(NC(=O)NNC(=O)CC(F)(F)F)c1	755686207	GZOOIQXYOLUXMT-UHFFFAOYSA-N	305.256	1.938	50	20	DDGD	
NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1ccnc2cc(Cl)ccc12	856779882	BOGLYFAPMCZAHP-UWVGGRQHSA-N	318.764	1.843	50	20	DDGD	
CCN1CCC(NC(=O)NC[C@]2(C)C[C@H]2Br)CC1	856831513	GUFSHERWMMTCRH-YPMHNXCESA-N	318.259	1.943	50	20	DDGD	
C#CC[C@@H](CCOC)NC(=O)NNC(=O)Nc1ccccc1C	859026324	KVUJIWHJCTVVBX-ZDUSSCGKSA-N	318.377	1.759	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=C2CN(C)C[C@@H]2C)cc1	752164659	WITAIQGDVDAWNF-STQMWFEESA-N	319.405	1.906	50	20	DDGD	
Cc1nc(CC(C)C)c(NC(=O)NNC(=O)c2cn[nH]c2)s1	860773699	CFVJXFXRJIQBBO-UHFFFAOYSA-N	322.394	1.840	50	20	DDGD	
CC[C@@](C)(NC(=O)NNC(=O)c1cccn1C)C(F)(F)F	933521562	IPDYHNHQFPAVGV-LLVKDONJSA-N	306.288	1.700	50	20	DDGD	
CC(C)c1nocc1C(=O)NNC(=O)CNc1ccccc1	863852806	CVDFBWGXYZELTM-UHFFFAOYSA-N	302.334	1.671	50	20	DDGD	
COC(=O)c1nscc1S(=O)(=O)NCC(Cl)Cl	867469695	BOUYKLXRPJOGRK-UHFFFAOYSA-N	319.191	1.012	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)C1(c2ccccn2)CC1	865016220	ZVUDBXIUOAWDOF-UHFFFAOYSA-N	300.318	1.237	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNc2ccc(Cl)nn2)cc1F	765848249	ZKHLWXPKHAIASX-UHFFFAOYSA-N	323.715	1.984	50	20	DDGD	
Cn1nc(C(=O)NN=C2CC(C(F)F)C2)c2ccccc2c1=O	766006995	GRHKWXSCKBBICG-UHFFFAOYSA-N	320.299	1.694	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2ccc(OCC(F)F)cc2)N1	863149414	ZCCXTPXTDSZLPV-LLVKDONJSA-N	311.288	1.059	50	20	DDGD	
C#CCOCCNC(=O)NNc1nc2c(C)cccc2s1	868496749	MJERBDMKTFBUSP-UHFFFAOYSA-N	304.375	1.881	50	20	DDGD	
CCCCCC[C@H](C)CC(=O)NNC(=O)CS(C)(=O)=O	863461908	YVTQCETWEKNZNH-NSHDSACASA-N	306.428	1.175	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F)C(F)(F)F	862319253	ZNMOPNROZODJTJ-WCMLQCRESA-N	320.233	1.914	50	20	DDGD	
CCCOc1ccc(NCc2ccccc2B(O)O)cc1F	863892265	QVFQPSIBCCDWRF-UHFFFAOYSA-N	303.142	1.906	50	20	DDGD	
C[C@H](NNC(=O)[C@@H](C)Oc1ccc(C#N)cc1)C(F)(F)F	862305247	LBSSTAYOWQKRLF-BDAKNGLRSA-N	301.268	1.897	50	20	DDGD	
CC(=O)Nc1ccccc1CC(=O)NNC(=O)C1CCCC1	766397383	FCVRETWMPXDEMS-UHFFFAOYSA-N	303.362	1.525	50	20	DDGD	
COCCN(C)NC(=O)c1ncsc1Nc1cccnc1	861657347	VPDCIWCOOSFLOE-UHFFFAOYSA-N	307.379	1.505	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@@H]1COc2ccc(Cl)cc21	762058722	BJHJVYRWGZEGHR-LLVKDONJSA-N	309.753	1.904	50	20	DDGD	
CC(=O)Nc1cccc(C(C)=NNC(=O)Cc2cc(C)[nH]n2)c1	767396366	NXXPFNDCYORMOK-UHFFFAOYSA-N	313.361	1.759	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)c1nc2ccccc2s1	874913355	CGEYBPHXSWYRSC-SBMIAAHKSA-N	319.386	1.871	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CCc1cncc2ccccc12	765321311	JEMRXOFZGAEQKC-UHFFFAOYSA-N	300.362	1.906	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)/C=C\C2CCOCC2)cc1	1116052054	YEDAIMXWRZQHGD-UQCOIBPSSA-N	304.346	1.439	50	20	DDGD	
O=C(NNC(=O)C1=C(c2ccccc2)SCCO1)NC1CC1	874193634	FJWZTGQCGXJZDO-UHFFFAOYSA-N	319.386	1.611	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@](C)(O)C2CC2)c(C)c1	873761119	QAGCXDLLJUPHTN-OAHLLOKOSA-N	307.419	1.782	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)N[C@@H]1CC12CCC2	876426390	IPNFRNKHZNLFQR-ZWNOBZJWSA-N	321.352	1.866	50	20	DDGD	
Cc1nnc([C@@H](C)NC(=O)NNC(=O)c2cccc(F)n2)s1	1118562295	WXWGBHVVHMJKNP-ZCFIWIBFSA-N	324.341	1.086	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	873853517	XUOMYBUJCUNXMU-GHMZBOCLSA-N	322.390	1.540	50	20	DDGD	
O=C(/C=C\c1ccc(O)c(O)c1)NNC(=O)c1ccccc1F	779491801	YMICAUHFPLFIAT-VURMDHGXSA-N	316.288	1.711	50	20	DDGD	
COC(=O)C1(CNC(=O)[C@@H](Br)C(C)(C)C)CC1	777398816	KOCLTNJQGQACPI-MRVPVSSYSA-N	306.200	1.865	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncccn1)c1ccc(N(C)C)cc1	776244832	GFTNKTPSESJLRB-LLVKDONJSA-N	300.366	1.930	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NC[C@@H]1CCCS1(=O)=O	771341478	SBSJBVPEKJNABT-JTQLQIEISA-N	315.370	1.337	50	20	DDGD	
CC(C)N(CCc1ccccc1)C(=O)c1ccc(B(O)O)cc1	1118922373	XNHIGTNUFGPZGA-UHFFFAOYSA-N	311.190	1.460	50	20	DDGD	
CC[C@@H](CNC(=O)NN(C)C(=O)OC)Oc1cccc(F)c1	875357002	HOTRCBLJKYROIP-NSHDSACASA-N	313.329	1.896	50	20	DDGD	
COCc1nc(CNC(=O)NNc2cccc(C)n2)cs1	875596036	HDMCVLYHFKSMCT-UHFFFAOYSA-N	307.379	1.819	50	20	DDGD	
C=CCC[C@@H](C(=O)NNc1nccn(C)c1=O)c1ccccc1	779381557	WDKHAGYESZGBMF-CQSZACIVSA-N	312.373	1.973	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1ccc2nc[nH]c2n1	770548192	AJFLWXPPKQOASD-UHFFFAOYSA-N	313.292	1.101	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)COc1cccc(C#N)c1	772840075	DJBLAPBSWGTBPF-UHFFFAOYSA-N	311.345	1.994	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cccc([N+](=O)[O-])c1N	772892636	NGMPUIKKKLYYFN-UHFFFAOYSA-N	316.321	1.847	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CC[C@@H](n2cncn2)C1	777398718	JIZLRWDNUMZWLK-LPYTZGJOSA-N	311.320	1.798	50	20	DDGD	
Cc1c(N)cccc1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	772088785	QESSYRBKLZUODP-NSHDSACASA-N	321.377	1.316	50	20	DDGD	
CC[C@H]1[C@@H](C)CCN1CC(=O)NNC(=O)c1ccc(C)cc1	775782369	FTXKVJRWZZSPCR-ZFWWWQNUSA-N	303.406	1.876	50	20	DDGD	
CC[C@H]1C[C@@H](C(=O)NNC(=S)Nc2ccccn2)CCO1	779939142	UCDABBQYTUTUCM-QWRGUYRKSA-N	308.407	1.604	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ccccc2)cc1OC	775530655	VNJMTFDHGMJPNP-UHFFFAOYSA-N	315.329	1.786	50	20	DDGD	
CC1(C)C[C@H](CNC(=O)NNc2ccc(C#N)cn2)CCO1	889212298	FGSJNRQNKDJDIT-LLVKDONJSA-N	303.366	1.785	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](CO)c1ccccc1	778587442	VOHUNJMWWZSLMV-OAHLLOKOSA-N	313.357	1.673	50	20	DDGD	
C#CCCCCCC(=O)NNC(=O)CNc1cccc(OC)c1	780331645	XWMQWSUYEPBIPN-UHFFFAOYSA-N	317.389	1.838	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCOC2CCC2)c1	780834600	MXLPSHWBAKDGDN-UHFFFAOYSA-N	307.350	1.668	50	20	DDGD	
COc1ccc(OC)c(CC(=O)NNc2ncncc2Cl)c1	781818877	PABMJPUWZGJQFA-UHFFFAOYSA-N	322.752	1.833	50	20	DDGD	
O=C(NN=Cc1sccc1Cl)[C@@H]1CCS(=O)(=O)C1	782184210	HIGHFAYWOHUSIM-SSDOTTSWSA-N	306.796	1.286	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(C)nc2c1c(C)nn2C	887140840	UPGAMZMDWDDKHZ-UHFFFAOYSA-N	313.361	1.150	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@H](n1cccn1)C(F)(F)F	887151806	KPWBOERBXHQWHL-JTQLQIEISA-N	316.283	1.328	50	20	DDGD	
CC(C)C(C)(C)C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1	784765356	QLJNALFFJQJMSC-CHWSQXEVSA-N	313.442	1.315	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1CCOC(C)(C)C1	1120736878	WKPQUCDPTQBNIF-CYBMUJFWSA-N	320.389	1.590	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@@H]1CCCc2c(O)cccc21	789901812	YHQMVZLDRCIFFX-SNVBAGLBSA-N	316.279	1.912	50	20	DDGD	
CSSCCNC(=O)c1cc([C@H]2CCCN2C)[nH]n1	897692769	DAXPJBZSEUVVLL-LLVKDONJSA-N	300.453	1.917	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnn(-c2nc(CC)cs2)c1	780710241	RJQSEXLTDUGRHV-UHFFFAOYSA-N	322.394	1.197	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1C(=O)NNc1ncncc1Cl	781825537	MZVHKSGBIYAHCM-UHFFFAOYSA-N	308.773	1.918	50	20	DDGD	
Nc1ccc(C(=O)NN=CC2CCC3(CC2)OCCO3)cc1	788697648	FZUZIVBWBUHIEE-UHFFFAOYSA-N	303.362	1.918	50	20	DDGD	
CCC(=NNC(=O)Cn1c(C)nc2ccccc21)c1cn[nH]c1	788963447	IVOYQDNHKXAFMZ-UHFFFAOYSA-N	310.361	1.998	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)CCCc2ccsc2)nn1	783655460	GSWCTGZSLDKIGO-UHFFFAOYSA-N	305.363	1.103	50	20	DDGD	
CC[C@@H](NS(=O)(=O)CBr)C1CCOCC1	782465161	ZISSBQGRJDLCLV-SECBINFHSA-N	300.218	1.463	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C2CCC(OC)CC2)c1O	781026102	NBRHAKYENGAYNL-UHFFFAOYSA-N	322.361	1.367	50	20	DDGD	
N#Cc1cccc(NNC(=O)[C@H]2CCN(CC(F)(F)F)C2)c1	792260341	JJEFMMBQAJJUQA-NSHDSACASA-N	312.295	1.886	50	20	DDGD	
Cc1c(CNC(=O)NNc2ncccn2)cccc1[N+](=O)[O-]	790563309	BEWJPRCIOJVSGN-UHFFFAOYSA-N	302.294	1.520	50	20	DDGD	
CO[C@H](C)CN(C)CC(=O)NNC(=O)c1ccccc1Cl	796642236	OOHLCNKXRYWRJV-SNVBAGLBSA-N	313.785	1.068	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1ccc(OCC2CC2)cc1	790151038	CLKXZMYUIVBHMC-UHFFFAOYSA-N	315.373	1.548	50	20	DDGD	
COc1cc(/C=C(/C#N)S(N)(=O)=O)cc(Cl)c1OC	798230699	AQEMEHVKGOFMNL-BAQGIRSFSA-N	302.739	1.510	50	20	DDGD	
COc1cccc(OCC(=O)NNC(=O)c2cccc(C)n2)c1	794079923	HRCNPKUZRMJJKP-UHFFFAOYSA-N	315.329	1.239	50	20	DDGD	
Cc1cccc(C(=O)NN=C(CO)c2ccc(F)cc2F)n1	794565857	JMJAYDWIFWZLTH-UHFFFAOYSA-N	305.284	1.795	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2=CCCCO2)cc1C	798309247	YGLQXVKMVISKNK-UHFFFAOYSA-N	317.345	1.084	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1cc(C(N)=O)cs1	798310169	KFYXFYVSSHWBGI-UHFFFAOYSA-N	318.358	1.622	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@H]2CCOc3ccccc32)c1Cl	1319303383	PVKUMLMQJNYZRA-VIFPVBQESA-N	319.752	1.722	50	20	DDGD	
O=C(C[C@H]1C=CS(=O)(=O)C1)NNc1ncccc1Cl	1322447814	SCOBPKCLZVDPMM-MRVPVSSYSA-N	301.755	1.127	50	20	DDGD	
CC1(C)OC[C@H](CNC(=O)NNc2ccc(C(C)(C)C)nn2)O1	1325187630	XVKJEUVSWZCVAW-JTQLQIEISA-N	323.397	1.552	50	20	DDGD	
CC[C@H](C)CC[C@@H](O)CC(=O)NNC(=O)[C@H]1CCCCO1	1326587190	HLYVJZNFOJQFIG-YNEHKIRRSA-N	300.399	1.280	50	20	DDGD	
Cc1nc([C@H](C)NC(=O)NNc2cccc([N+](=O)[O-])c2)no1	1326947100	CHBXVLPAVINXBO-ZETCQYMHSA-N	306.282	1.674	50	20	DDGD	
CCN1CCC[C@H](CNC(=O)NNC(=O)c2ccccc2C)C1	1323673371	FHWXCTNNKITAKZ-CQSZACIVSA-N	318.421	1.671	50	20	DDGD	
CC(C)c1ncc(C(=O)NNC(=O)CNc2ccccc2)[nH]1	1322045795	VYOMJWKFVMZRRZ-UHFFFAOYSA-N	301.350	1.406	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ccn(C(F)F)n2)c1Cl	1320067986	OXCSHCQKBPAQRV-UHFFFAOYSA-N	303.660	1.061	50	20	DDGD	
C[C@@H]1CCCCN1C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1328546843	FKPQLQJRRONYAS-GIPNMCIBSA-N	317.227	1.677	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@](C)(NS(=O)(=O)CCl)C1	851900873	IEUJQZZDCLSYAA-NSHDSACASA-N	312.819	1.502	50	20	DDGD	
Cc1c(Br)cccc1C(=O)N1CC[C@H](B(O)O)C1	585068912	INEVJYZYLSUNEN-VIFPVBQESA-N	311.972	1.446	50	20	DDGD	
CC(C)C(=O)NN=Cc1ccc(N2CCN(C)CC2)c(F)c1	1337565563	XVKVQEWLLSYOCY-UHFFFAOYSA-N	306.385	1.684	50	20	DDGD	
CCC[C@H](CC)NC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1261765281	FBIZLMXOTUXIQJ-KWBADKCTSA-N	319.243	1.971	50	20	DDGD	
CCN(CCO)NC(=O)c1cnc(Cl)cc1C(F)(F)F	1349951794	RIFKKLHJGYLZLD-UHFFFAOYSA-N	311.691	1.713	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ncc(Cl)s2)cc1	1344359765	DCPHZYJUQHONJP-UHFFFAOYSA-N	324.793	1.978	50	20	DDGD	
C[S@@](=O)CCCNC(=O)NNc1ncnc2ccsc12	1357683590	ZYMCOFPQYLDNEL-HXUWFJFHSA-N	313.408	1.086	50	20	DDGD	
O=C(NCCc1nc2c(s1)CCC2)NNc1ncncc1F	1354524560	YSIPCQMPKVTTJR-UHFFFAOYSA-N	322.369	1.430	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@H]2CCOC(C)(C)C2)c1	1515278884	DCTMPFMXRSOEEG-ZDUSSCGKSA-N	319.405	1.719	50	20	DDGD	
CC[C@H](C)C[C@@H](C)NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1604001245	RWZBMVURGHTVOI-VHSXEESVSA-N	318.385	1.713	50	20	DDGD	
C[C@]1(C(=O)NNc2ccc(F)c(C(=O)O)c2)C[C@H]2CC[C@H]1O2	1609810925	URRGEHSQPPSRBU-BCQZVRRWSA-N	308.309	1.925	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)N[C@H]1CCN(C2CC2)C1	1608480325	HAIUMWUBBSPMPT-JTQLQIEISA-N	322.340	1.387	50	20	DDGD	
Cn1nc(C(=O)O)cc1NC(=O)/C(C#N)=C/c1ccc(F)cc1	1608144198	NZYVKRXHSSRAAC-UXBLZVDNSA-N	314.276	1.803	50	20	DDGD	
O=C(O)C[C@@H]1CSCCN1CCI	1608704069	IVONAKQOBNGZRZ-SSDOTTSWSA-N	315.176	1.314	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)C23CCCN(CCC2)C3)c1	1602448119	MXPFEXSNKMGWLK-UHFFFAOYSA-N	303.362	1.704	50	20	DDGD	
CC[C@@H](C)OCC(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1604965996	OLJIGBHYGAXROM-SECBINFHSA-N	315.395	1.395	50	20	DDGD	
O=C(NNc1ncccc1F)Nc1nc2n(c1C(=O)O)CCC2	1601562035	OSMBWHNTQXUZFY-UHFFFAOYSA-N	320.284	1.210	50	20	DDGD	
CCn1ccnc1CNC(=O)NNc1cccc(C(=O)O)c1C	1605930613	BCDJCUYTHQWQDU-UHFFFAOYSA-N	317.349	1.736	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@@H]1C(=O)NN=Cc1nccs1	1549315316	MKIVESFIIMZLMP-GWCFXTLKSA-N	319.390	1.495	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@@H]1c1nccn1C)c1cc[nH]n1	1549317790	WUJATYVBWRHHCL-YPMHNXCESA-N	316.365	1.151	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@@H]1C(=O)NN=Cc1cocn1	1549313343	FGHGEGZFJGQILP-RYUDHWBXSA-N	303.322	1.026	50	20	DDGD	
COc1ccccc1CC(=O)NNc1ccc(C(=O)O)cn1	1610364544	HJZPYWBGVIPZCF-UHFFFAOYSA-N	301.302	1.474	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C(=O)NN=Cc1ccoc1	1549308073	BXSXYZRKQFAXLV-QWHCGFSZSA-N	302.334	1.631	50	20	DDGD	
COCc1csc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)c1	1549314830	MQDYXBVCFXYQAG-JSGCOSHPSA-N	323.418	1.208	50	20	DDGD	
O=C(NN=C1CCC[C@H](C2CC2)C1)[C@H]1CN2CCC[C@H]2CO1	1549320127	YLWCSLTYTKOZSW-CWRNSKLLSA-N	305.422	1.922	50	20	DDGD	
N#Cc1c(C(=O)NNc2ncccc2C(=O)O)[nH]c2ccccc12	1574479107	CVTMZPJFTYRQPT-UHFFFAOYSA-N	321.296	1.890	50	20	DDGD	
CCNCc1ccccc1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	1577878200	DNGDAIBHWCNVBR-WCQYABFASA-N	320.393	1.374	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CCCNCC2)c1C	1578877655	FPKCNBLNCICSPI-GFCCVEGCSA-N	320.393	1.550	50	20	DDGD	
Cc1cc(OCC(=O)NNC(=O)[C@H]2CCN2)ccc1C(C)C	1579639425	JGEZBVCEBPDQFO-CQSZACIVSA-N	305.378	1.007	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cc(C(=O)O)[nH]n1	1574785587	BBSSHTFAURFOKU-UITAMQMPSA-N	300.249	1.793	50	20	DDGD	
CSCC[C@@H](N)C(=O)NNc1ccc(F)c([N+](=O)[O-])c1	1579377662	NVNIFFMXZZUCOY-SECBINFHSA-N	302.331	1.257	50	20	DDGD	
O=C(NNc1ccccc1Cc1ccccc1)N[C@@H]1CNOC1	1580740145	XSWOHTYFQSLMEH-OAHLLOKOSA-N	312.373	1.807	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cc(-c2nn[nH]n2)ccc1Cl	1589084498	QISQNAGUFXEEDI-UHFFFAOYSA-N	322.756	1.327	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)[C@@H]1CNc2ccccc21	1580743065	OTYRBJMPGLLRMR-GFCCVEGCSA-N	321.340	1.988	50	20	DDGD	
O=C(Cc1ccccc1C(=O)O)NNC(=O)NCc1ccco1	1594709774	NHJOWWHCBOMUPT-UHFFFAOYSA-N	317.301	1.051	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)C2(C(=O)O)CC2)c1	1594364592	PJSAADFDKLGIIJ-UHFFFAOYSA-N	311.338	1.317	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)c2cc(Cl)ccc2O)cn1	1776027208	JHXRTPUAAMGOAC-UHFFFAOYSA-N	319.704	1.903	50	20	DDGD	
CC(=NNC(=O)c1ncccn1)[C@@H]1C[C@H](CC(=O)O)C1(C)C	1776081520	SKAWDRPWLWSBPH-MNOVXSKESA-N	304.350	1.719	50	20	DDGD	
CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)CBr)C2	1795757547	IALIJPSIAZZEFK-KXGXSXBTSA-N	317.227	1.676	50	20	DDGD	
Cn1cnc(-c2ccc(NC(=O)NNc3cnccn3)cc2)n1	161218937	YDWWYXHQOANNEG-UHFFFAOYSA-N	310.321	1.421	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)Nc2ccccn2)cc1	161725395	JITGDHRDMRMODS-UHFFFAOYSA-N	302.359	1.722	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccccc1OCC1CC1	160202886	NANMSGRGLYLELT-AWEZNQCLSA-N	304.346	1.415	50	20	DDGD	
C[C@@H]1OCCN(C(=O)NNC(=O)c2ccc(C#N)cc2)[C@@H]1C	165946136	NOFAJPBQPLAHEI-MNOVXSKESA-N	302.334	1.022	50	20	DDGD	
CCCC[C@@H](CC)CC(=O)NNC(=O)C(=O)Nc1ccccn1	151879526	FCFCPXSSSIQLAC-GFCCVEGCSA-N	320.393	1.774	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCn2ccc3ccccc32)[nH]n1	151219046	GNELVFLPRMRXMB-UHFFFAOYSA-N	311.345	1.524	50	20	DDGD	
CCCCCC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccccn1	152004373	GULOPETYEFWBLO-LBPRGKRZSA-N	320.393	1.774	50	20	DDGD	
O=C(NNc1nccc(N2CCOCC2)n1)c1ccccc1F	155522366	QVUJMNCGHATKSX-UHFFFAOYSA-N	317.324	1.209	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H](CCO)C(C)C)cc(C#N)n1C	155583121	PNQCYQPOPFBXDH-SNQWNFELSA-N	314.389	1.635	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)Nc2cccc(F)c2F)n1	156257682	CGQMBLGSZDKDSV-UHFFFAOYSA-N	321.287	1.453	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@@H](CCCO)c1ccccc1	156335722	XLTWDMSYTLFYBQ-ZDUSSCGKSA-N	316.361	1.473	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CCc2ccncc2)n1	155841958	ORCHGVKUYPYOJD-UHFFFAOYSA-N	314.393	1.794	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCCc1cscn1	159334942	NMENQRGPDAGHNK-UHFFFAOYSA-N	322.365	1.398	50	20	DDGD	
C#CCOc1ccccc1/C=C(\C#N)C(=O)NC[C@@H]1CCCO1	6209774	XTKXAWTWKGKVSC-SFKKXYGYSA-N	310.353	1.901	50	20	DDGD	
O=S(=O)(CBr)NCc1cnn2ccccc12	796097223	QXCUUCNBMUVXEW-UHFFFAOYSA-N	304.169	1.106	50	20	DDGD	
O=C(N/N=C1/C(O)=Nc2cc3c(cc21)OCCO3)c1ccncc1	7892728	IMGPZIDUZNNIOI-UHFFFAOYSA-N	324.296	1.589	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1c[nH]nc1C	109860269	YTGBTQSWUHUREU-UHFFFAOYSA-N	302.334	1.121	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cc(C(C)C)[nH]n1	55355069	AFRVFTHJEDOLCX-UHFFFAOYSA-N	316.361	1.545	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CCC[C@H]2C)cc1	105312123	GSFZAMMMOKRYFP-TZMCWYRMSA-N	305.378	1.893	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNC(=O)COc1ccc(C)c(C)c1	119748464	XAYCUHWSCRYYHG-INIZCTEOSA-N	308.378	1.381	50	20	DDGD	
Cn1c(NNC(=O)CCC2CCC2)nc2ccccc2c1=O	176677742	LKVHZXMQBJVZAN-UHFFFAOYSA-N	300.362	1.957	50	20	DDGD	
CCCN(C(=O)C(=O)NC[C@]1(C)C[C@H]1Br)C1CC1	1347967026	JOSRJBCYTSZZLH-MFKMUULPSA-N	317.227	1.677	50	20	DDGD	
CCCc1ncc(C(=O)NNC(=O)NCC(F)(F)F)s1	173372767	GTUWFWRGSOBMPQ-UHFFFAOYSA-N	310.301	1.602	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NCC2(C(C)C)CC2)n1	176357110	NRLIQTPDOPWWQK-UHFFFAOYSA-N	307.398	1.267	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2ccoc2C)cc1	20914890	NHUYKSPZQAWJCR-UHFFFAOYSA-N	302.330	1.990	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)C2=Cc3ccccc3OC2)cc1	61465524	IDKFRTRFUOBCOA-UHFFFAOYSA-N	319.320	1.795	50	20	DDGD	
CC(C)CCC(=O)NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1	111055294	RHLMINAHTLTPBW-UHFFFAOYSA-N	320.397	1.754	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cncn1-c1ccc(F)cc1	28617407	ODDNUMMYAFYAPQ-UHFFFAOYSA-N	304.325	1.819	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cn(C)nc2C)n1	177668006	OJLZYTDSHRGNIR-UHFFFAOYSA-N	303.370	1.122	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cccc(C(F)F)c2)n1	170916560	SBJVJVIDSVVCRD-UHFFFAOYSA-N	322.315	1.899	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)NCCc2cccs2)c1	65204426	VVAHJQQLWBCNIQ-UHFFFAOYSA-N	319.386	1.943	50	20	DDGD	
O=C(CC[C@@H]1CCCO1)NNc1ccc(C(F)(F)F)nn1	124072342	HLFZSLYQWUAEFT-QMMMGPOBSA-N	304.272	1.898	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@@H]1CCCN1Cc1ccccc1	123369031	HQBKIFYELGCONF-AWEZNQCLSA-N	315.352	1.723	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1ccc2[nH]nnc2c1	124203007	QDSHUBMXDFTKOZ-UHFFFAOYSA-N	323.238	1.524	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)C(C)(C)C)c(C)c1	121482925	WUCWFBPKYVMDND-UHFFFAOYSA-N	300.380	1.359	50	20	DDGD	
C[C@@H]1CCN(CCI)CC[S@@]1=O	307708758	KDJICPGJLQNHNS-PELKAZGASA-N	301.193	1.264	50	20	DDGD	
CC[C@H](SC)C(=O)NNc1nc2ccccc2c(=O)n1C	122781480	FUVRICRONCGBJW-NSHDSACASA-N	306.391	1.518	50	20	DDGD	
Cn1nnc2cc(C(=O)NNc3cccc4cnccc34)cnc21	183430505	ORXXWWCPULIKBA-UHFFFAOYSA-N	319.328	1.668	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C\c1ccc(O[C@H](C)C(=O)OC)cc1	123365996	KUPIOIJJYWYXQI-XTCQQWIJSA-N	314.341	1.836	50	20	DDGD	
O=C(CCc1cccnc1)NNc1nc(-c2ccncc2)no1	76453578	DWRQZLCZSKTGHM-UHFFFAOYSA-N	310.317	1.603	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1ccc2[nH]ccc2c1	126166221	GFLGYILNIUUYHF-UHFFFAOYSA-N	316.361	1.690	50	20	DDGD	
O=C(CCN1C(=O)CCc2ccccc21)NNc1ccccn1	181219974	YVDINRIYXCPOTA-UHFFFAOYSA-N	310.357	1.894	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)nn1	125814820	UFKLTIJYCWELAX-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)ncn1	128596695	LYGHMYPEBFHLGV-UHFFFAOYSA-N	322.328	1.250	50	20	DDGD	
CN1C[C@H](C(=O)NNc2cc(C(F)(F)F)ccc2F)CC1=O	128975612	VNHRPUAODGYWGO-SSDOTTSWSA-N	319.258	1.766	50	20	DDGD	
CC(C)(C)[S@@](=O)CCNC(=O)NNc1cccc(C#N)c1	120230985	UEBMWVWQBKHPTH-OAQYLSRUSA-N	308.407	1.732	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C(C)(C)OC(C)=O)c1ccccc1	188861355	DUQSEXZAOSXCMC-ZDUSSCGKSA-N	306.362	1.669	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2ccc(C)n2C)nc1C	182723912	BKNJHAJLKOJLEF-UHFFFAOYSA-N	317.349	1.366	50	20	DDGD	
CC(C)[C@H]1CCC[C@@H](NC(=O)NNC(=O)C(=O)NC2CC2)CC1	187442388	LEEZUPCQAIQBML-NWDGAFQWSA-N	324.425	1.200	50	20	DDGD	
O=C(CC1CCCCC1)NNC(=O)[C@@H]1COc2ccccc2O1	45294027	SCBNZMAZBZFWGF-HNNXBMFYSA-N	318.373	1.944	50	20	DDGD	
COc1cc(C(=O)NNC(C)=O)cc(OC)c1Br	48449782	KBJFDLPWYSTGPK-UHFFFAOYSA-N	317.139	1.247	50	20	DDGD	
COCc1ccc([C@H]2CCCN2CC(=O)NNC(=O)C2CC2)o1	130768067	NKJNKIOPIWBTSC-CYBMUJFWSA-N	321.377	1.120	50	20	DDGD	
COCCC1(CNC(=O)NNC(=O)c2ccc(C)s2)CC1	133909935	CNAANMUCQZEJKT-UHFFFAOYSA-N	311.407	1.817	50	20	DDGD	
CC1=C(C(=O)NNc2ccc(C#N)cc2)[C@@H](C)n2ncnc2N1C	192549616	OSGYLYKYXVDEOW-LLVKDONJSA-N	323.360	1.578	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)c1ccccc1)CN1CCCC1	80049149	WTXOAWHXWZXFOY-CYBMUJFWSA-N	304.394	1.363	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCc2c(Cl)cccc2C1	133883157	XDWVAYHBOXOUSU-JTQLQIEISA-N	309.797	1.644	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](C)N(C)CC(F)(F)F)nc1	194062860	VTIHMLSIMBHLSI-MRVPVSSYSA-N	306.288	1.416	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNc2cc(C)ccn2)c1	190038497	UNZCHTFZSCJFIT-UHFFFAOYSA-N	300.318	1.480	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1c[nH]nc1-c1ccccc1	97299300	IELJRLCXBCTZLC-LBPRGKRZSA-N	300.318	1.017	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)/C=C\c2ccccc2C#N)nc1	255648626	ZGMBFCVXQBSMSE-CLFYSBASSA-N	322.324	1.896	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1	269498213	VYAIKKPZKJGFTK-OWRWYXLESA-N	323.393	1.898	50	20	DDGD	
O=C(CN1CCSC1=O)NNc1ncnc2ccsc12	268977761	MUGWRVPEIZZDRR-UHFFFAOYSA-N	309.376	1.303	50	20	DDGD	
CCNC(=O)CCCC(=O)Oc1ccc([N+](=O)[O-])cc1OC	264784469	QGDUDNFGYCCSMR-UHFFFAOYSA-N	310.306	1.815	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cc(Br)ccc1O	266454031	DQJNACLTCCOLDQ-UHFFFAOYSA-N	313.151	1.716	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)[C@H]1CCCCO1	271999999	NOUCKNGXUGUNNK-SMDDNHRTSA-N	323.368	1.656	50	20	DDGD	
C=C(CBr)CN1C[C@H](N2CCOCC2)C[C@H]1C	368509231	YUBQOJCRBKORHH-CHWSQXEVSA-N	303.244	1.733	50	20	DDGD	
CSSCCNC(=O)N1CCOC2(CCOCC2)C1	367415523	OEBJHQBGYNOWKP-UHFFFAOYSA-N	306.453	1.589	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)[C@H]1C[C@]12CCOC2	364088233	XBRUXNQBSBYRBE-BMIGLBTASA-N	322.386	1.058	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@@H]1C[C@H]1c1ccco1	365134873	RBDYNMVQDCHHLX-VXGBXAGGSA-N	302.305	1.912	50	20	DDGD	
CCC(C)(C)N[C@H](C)C(=O)NNC(=O)c1ccc(C)cc1O	273211693	NJOWPZIHGWHGER-LLVKDONJSA-N	307.394	1.628	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCOC[C@H]1[C@@H]1CCCCC1=O	273684708	GJRVMJJNLSQDNZ-ZFRJQFIBSA-N	306.362	1.417	50	20	DDGD	
Cc1n[nH]c(C)c1CCC(=O)NNc1cc(Cl)nc(N)n1	273518047	QBZOKMCAOQORIJ-UHFFFAOYSA-N	309.761	1.128	50	20	DDGD	
CNC(=O)c1ccc(C)c(NC(=O)NNC(=O)CC2CC2)c1	273365353	WWNGETCONDFZQZ-UHFFFAOYSA-N	304.350	1.307	50	20	DDGD	
CN1CCC[C@@H]1C(=O)NNC(=O)NCc1ccc(Cl)cc1	276174557	JXABJMOWDOKIQC-GFCCVEGCSA-N	310.785	1.265	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H]2CCCOC2)c1	272667613	OMIBADOGOJBRDZ-LLVKDONJSA-N	307.350	1.526	50	20	DDGD	
CC(C)[C@H]1NCC[C@@H]1C(=O)NNc1ncnc2ccsc12	289619594	OSXUJYRSJRXTDS-GXSJLCMTSA-N	305.407	1.769	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1ccc(OCC(F)F)cc1	288873790	HBUXHYMMIQBDKP-UHFFFAOYSA-N	324.305	1.222	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)C2CCC2)cc1OC	280532145	PBLXRKSSXNIEAC-UHFFFAOYSA-N	321.333	1.435	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CC[C@@H]2C(=O)OC)c1	285817922	NEWREGGHYNNBMM-RYUDHWBXSA-N	306.318	1.116	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)nc1	286895621	BYENUBCHMSIPPL-BXUZGUMPSA-N	319.409	1.709	50	20	DDGD	
CCS(=O)(=O)CC(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	296130131	OTZAWIXBKRDRDO-UHFFFAOYSA-N	321.742	1.126	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H](C2CC2)C(F)(F)F)n1	808865748	CIFQJLRLINRFEG-MRVPVSSYSA-N	305.260	1.452	50	20	DDGD	
Cc1cc(OC(=O)c2ccnc3c2nnn3C)ccc1[N+](=O)[O-]	800802992	YYOBKROPITVLNU-UHFFFAOYSA-N	313.273	1.799	50	20	DDGD	
CS(=O)(=O)c1ccc(NC(=O)NNC(=O)C2=CCCC2)cc1	802063884	RTLYNCCNSKXPSR-UHFFFAOYSA-N	323.374	1.353	50	20	DDGD	
O=C(/C=C/c1ccccc1[N+](=O)[O-])NNC(=O)[C@@H]1CCCCO1	295753412	PBTXTMISEIDNLO-XEHSLEBBSA-N	319.317	1.325	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)c1cccc2ncccc12)OC	290973686	ORSZWYATBPCIAN-NSHDSACASA-N	316.361	1.604	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1ccc2c(c1)C(=O)OC2	808881565	PWZKDSDWAUOPEV-UHFFFAOYSA-N	303.318	1.700	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@@H]1CC(c2c(F)cccc2F)=NO1	803078092	BLRBDHNZGGAIOB-ZDUSSCGKSA-N	318.283	1.418	50	20	DDGD	
CS(=O)(=O)c1cccc(NC(=O)NNc2ncccc2F)c1	806176879	WKMMNTTYWBRNJM-UHFFFAOYSA-N	324.337	1.773	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(NCC3CC3)nc2)O1	293992630	UMKDRJAVHITLEY-GWCFXTLKSA-N	318.377	1.232	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCCC(F)(F)C1	807368406	CYJHXKVJLWUSEI-SNVBAGLBSA-N	322.352	1.749	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)Cc1noc(C)c1C#N	805379525	GAXITCPTEFXIQO-UHFFFAOYSA-N	315.289	1.757	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H](Cc2ccccc2)OC)n1	296710182	GJQOEXVHDPHUIR-CYBMUJFWSA-N	301.346	1.791	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@@]1(CO)C[C@@H]1c1ccccc1	292729944	PMLDOUNRQLETPS-SOOMZGJCSA-N	300.358	1.713	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cnc(Br)c(OC)c1	804126061	XPPSHNJCYJFXQZ-UHFFFAOYSA-N	318.127	1.196	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1occ2c1CCC2	804955331	MHRJWZWYDBLPIU-UHFFFAOYSA-N	310.317	1.501	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1sccc1C#N	293932830	YBSYBPOVRGNGSY-UHFFFAOYSA-N	308.363	1.142	50	20	DDGD	
CC(=O)NC1(C(=O)NNc2ncc(F)cc2F)CCCCC1	297065861	WOBJTMBDNPUSBM-UHFFFAOYSA-N	312.320	1.642	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)N=c2cc[nH]cc2)s1	802035113	ABHIBKMCJLRQNN-UHFFFAOYSA-N	319.390	1.687	50	20	DDGD	
COCCCn1nccc1C=NNC(=O)c1sc(N)nc1C	802709638	VVLMQGYRSCVMQI-UHFFFAOYSA-N	322.394	1.031	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)C(C)C)cc(N2CCCC2)n1	811937786	IYKJBLUUYNRBDS-UHFFFAOYSA-N	319.409	1.477	50	20	DDGD	
Cn1c2c(ccc1=O)C(=NNC(=O)c1ccccc1O)CCC2	814695051	KYUSHCYFSMLILL-UHFFFAOYSA-N	311.341	1.561	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1cc(Cn2cccn2)on1	816654767	XDVVFKRIUJZWOQ-UHFFFAOYSA-N	302.269	1.210	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cc(Cl)c(F)cc1O	814865656	VPGKANAPCUYULT-MRVPVSSYSA-N	318.732	1.686	50	20	DDGD	
COc1ccc(NCC(=O)NN=Cc2c[nH]c(C(=O)O)c2)cc1	814708263	HTVDFLKOVXEWDY-UHFFFAOYSA-N	316.317	1.284	50	20	DDGD	
Cn1cc(C(=O)NNc2nccnc2Cl)c(C2CCC2)n1	819878615	HVWFTBRTNXUOHU-UHFFFAOYSA-N	306.757	1.888	50	20	DDGD	
CC(CC1(C(=O)O)CCC1)=NNC(=O)c1sc(N)nc1C	814794522	HWADVXHICTVZTQ-UHFFFAOYSA-N	310.379	1.784	50	20	DDGD	
Cc1cc(C)cc(C2(C(=O)NNC(=O)c3ccnnc3)CC2)c1	817693369	KSLQTIPPWNZHDL-UHFFFAOYSA-N	310.357	1.586	50	20	DDGD	
Cc1ccc(O)cc1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	811311655	NADUQKRRFOIJMV-LLVKDONJSA-N	322.361	1.439	50	20	DDGD	
CCOc1ccc(C(=O)NNc2cnnn2C)cc1OCC	816770485	ZMQVIEKHDADTPC-UHFFFAOYSA-N	305.338	1.369	50	20	DDGD	
CC(=NNC(=O)c1cccn1C)c1cccc(-n2cnnc2)c1	814779503	OBXAHZZQYAXOKS-UHFFFAOYSA-N	308.345	1.760	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@H]2C[C@H]3C=C[C@H]2CC3)n1	817787026	CVKFXASBUKFTNI-SDDRHHMPSA-N	303.366	1.714	50	20	DDGD	
CCOCc1nc([C@H](C)NC(=O)NNc2ccccc2)no1	812564185	OLPKYSQHVFQXMM-JTQLQIEISA-N	305.338	1.993	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)NCCc1cccs1	811640784	ZPTNVMNITGGPHQ-NSHDSACASA-N	308.407	1.634	50	20	DDGD	
CC(C)(Oc1ccc(C#N)cc1)C(=O)NNc1ncncc1F	817082994	RIXSZSZRGDWJCI-UHFFFAOYSA-N	315.308	1.788	50	20	DDGD	
O=C(C[C@@H](c1ccccc1)c1ncc[nH]1)NNc1ncccn1	816849206	UADUGZGSCXDGIH-ZDUSSCGKSA-N	308.345	1.865	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1nc(CN2CCCCC2)no1	819681408	WSKLCXVBQPPVRB-VAWYXSNFSA-N	319.365	1.116	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cc(C(=O)O)sc1C	729665209	DYNCLSRFGSNMCW-LURJTMIESA-N	320.392	1.110	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)NNc1cccc(Cl)n1	814273897	SCERIJKZUCUCRU-UHFFFAOYSA-N	305.725	1.706	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@H](C)CN2CCOCC2)cc1F	725831184	LGYIVJXSLNWFKP-GFCCVEGCSA-N	323.368	1.253	50	20	DDGD	
O=C(CCCC(=O)C1CC1)NNC(=O)CCOc1ccccc1	822868358	ZCUZIUBUWMODIS-UHFFFAOYSA-N	318.373	1.752	50	20	DDGD	
C[C@H]1[C@H](C(=O)NNc2cnccn2)CCN1C(=O)OC(C)(C)C	492672814	LXNQQZPJLZGKER-WDEREUQCSA-N	321.381	1.565	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cscn1	728513361	YSCCZJSUGMQGTO-QMMMGPOBSA-N	309.322	1.511	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1c(Cl)nc(Cl)n1C	726876610	XJGGDNKWZCTLHO-SOFGYWHQSA-N	317.176	1.787	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H]1C[C@@]12CCOC2	822732463	YZCDOZNFYRWALQ-BJOHPYRUSA-N	308.309	1.482	50	20	DDGD	
CCOC(=O)[C@@](C)(O)CNC(=O)/C(C#N)=C\c1ccc(F)cc1	490872504	BWBQTWDVPVQGOI-LJEUOOAZSA-N	320.320	1.163	50	20	DDGD	
CCn1c(NNC(=O)[C@H]2CC(C)=NO2)nc2ccccc2c1=O	820685054	GCDYHGYSWPQFME-GFCCVEGCSA-N	315.333	1.024	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C/c1ccc(-c2nn[nH]n2)cc1F	822795839	IESGTFBYLSVDEQ-XCVCLJGOSA-N	306.264	1.173	50	20	DDGD	
O=C(CCCC(=O)C1CC1)NNc1nc(-c2ccncc2)no1	822980443	UPBMTQGVKZEUBW-UHFFFAOYSA-N	315.333	1.724	50	20	DDGD	
CC(C)C[C@@H]1C[C@H]1C(=O)NNC(=O)Cc1cn2ccccc2n1	826591096	VPNMQNLIEHJNIG-TZMCWYRMSA-N	314.389	1.706	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=S)NCC(C)(C)CN(C)C	727066127	FZQQLKDYNQDAHA-UHFFFAOYSA-N	322.478	1.692	50	20	DDGD	
COc1nccnc1NNC(=O)c1cccn(CC(C)C)c1=O	822871585	LQEYWBJIQRYKEP-UHFFFAOYSA-N	317.349	1.060	50	20	DDGD	
OB(O)c1ccc(CNc2ccc(N3CCCCC3)nc2)cc1	585035179	YZFVINUVNMZNTR-UHFFFAOYSA-N	311.194	1.364	50	20	DDGD	
CC(C)=CCC[C@H](C)CC=NNC(=O)[C@@H](C)NS(C)(=O)=O	728435747	HCBGEIUKSKUPPM-QWHCGFSZSA-N	317.455	1.799	50	20	DDGD	
O=C(CN1CC[C@@H]2CCCC[C@@H]21)NNC(=O)c1cccs1	829022673	HHBWUELAKVZPRE-RYUDHWBXSA-N	307.419	1.774	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2c(C)cc(C)nc2C)n1	906877060	BUJYMHKIWYQCJI-UHFFFAOYSA-N	301.350	1.871	50	20	DDGD	
CC(C)[C@H](NCc1cccc(B(O)O)c1)c1ccc(F)cc1	585041460	DDGHGNNULNDDPU-KRWDZBQOSA-N	301.170	1.992	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@@H](C2CCC2)C1	585009662	ZYPUBXNWHXSINN-CYBMUJFWSA-N	305.158	1.158	50	20	DDGD	
C[C@@]1(C(=O)NCc2ncc3c(n2)CCC3)C[C@@H]1Br	909682730	XWYGQCOVQULSAX-GXFFZTMASA-N	310.195	1.755	50	20	DDGD	
CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)NNC(C)=O	497096075	POLJKJCQVNGKTI-UHFFFAOYSA-N	301.387	1.485	50	20	DDGD	
CC1(C)CC(=NNC(=O)[C@H]2CCS(=O)(=O)C2)c2ccoc2C1	731486663	SNVKACHZUDTVFB-JTQLQIEISA-N	324.402	1.507	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NC[C@@H]2CC[C@@H](C)O2)cc(C#N)n1C	491046175	GRFBHONUTDUAKD-NQOWCTIISA-N	312.373	1.796	50	20	DDGD	
CN1CCC[C@@]2(CCN(C(=O)/C(C#N)=C/c3cnn(C)c3)C2)C1	491006631	DVYROEMAHGCJOZ-YBYKNVHQSA-N	313.405	1.271	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NNC(=O)C1CC1	496583500	BDLBMCFMYOPFII-LLVKDONJSA-N	324.381	1.131	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@@](C)(O)C2CCCCC2)cn1	491013063	SUYJMBXMLXILTL-LEHPZIBWSA-N	316.405	1.775	50	20	DDGD	
COC[C@@H](C)CNC(=O)NNc1ccc(F)c(C(=O)OC)c1	838482242	LQSOZPAKOWXHSO-VIFPVBQESA-N	313.329	1.521	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNc2cccc3cnccc23)CC1=O	839710397	ZTFVKEKVACEVHF-ZDUSSCGKSA-N	312.373	1.936	50	20	DDGD	
Cn1c(=NNC(=O)COC2CCOCC2)sc2ccccc21	735246166	SFXQECQOKSMSAU-UHFFFAOYSA-N	321.402	1.367	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)Cn1ccc2ccccc21	732532387	IHKSCSNTMYKLHM-UHFFFAOYSA-N	307.375	1.178	50	20	DDGD	
COC(C)(C)CNC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836329263	TWZFKECVCFZTME-UHFFFAOYSA-N	324.337	1.176	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)C(=O)NNC(=O)c1ccccc1F	837310355	ANSULMJCLOKFRZ-SNVBAGLBSA-N	304.325	1.199	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@@H]1c1ccco1	584952720	WKJJGIFKHWQCGW-CYBMUJFWSA-N	303.098	1.076	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)C1CCCCC1	735513602	SFLBUXFXJZCWBS-CYBMUJFWSA-N	307.398	1.723	50	20	DDGD	
COc1ccc(C(=O)CCCC(=O)N2CC[C@H](B(O)O)C2)cc1	585076248	MHHVZPKALQQWRU-ZDUSSCGKSA-N	319.166	1.124	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@@H](CCO)Cc2ccccc2)cn1	831786870	CRWREDJVLSPCIG-STKCSNAVSA-N	324.384	1.437	50	20	DDGD	
CCN(CC)Cc1cccc(CNCc2ccc(B(O)O)o2)c1	585016998	HDZOLLNGKHUNDA-UHFFFAOYSA-N	316.210	1.091	50	20	DDGD	
O=C(O)CCCN1CCC(=NNC(=O)NC2CCCC2)CC1	739672784	XYCFNMGLSANYNN-UHFFFAOYSA-N	310.398	1.545	50	20	DDGD	
CSCc1ccc(CNCc2ccccc2B(O)O)cc1	585041327	XMWIJBPHDVMBFJ-UHFFFAOYSA-N	301.220	1.519	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CCN1CCCC1=O)c1ccccc1	731176706	XGPMBIVVMKZVQU-UHFFFAOYSA-N	317.389	1.124	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NC[C@H]2CCCO2)cc1	836559025	GWORYZSTMAQIPZ-GFCCVEGCSA-N	308.338	1.210	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2C[C@]2(C)C(C)C)n1	838768520	VFHPOGDHRQHGGH-IUODEOHRSA-N	307.398	1.265	50	20	DDGD	
CNC(=O)C[C@H](C)NC(=O)NNc1cc(F)c(F)cc1F	838696384	CLKXZRRWMRMWES-LURJTMIESA-N	304.272	1.255	50	20	DDGD	
C[C@H](CNC(=O)NNc1ccncn1)NC(=O)OC(C)(C)C	836433639	IATHLGQJQGPZLH-SECBINFHSA-N	310.358	1.016	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccncc2)nnn1-c1ccccc1	917525679	HXGXRHBICDPIKG-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
CN(C)CC1CCN(S(=O)(=O)CC(C)(C)CCl)CC1	867036284	VFWSNYFTZMNBLO-UHFFFAOYSA-N	310.891	1.855	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)NCCCn1cncn1	914008813	ROTRPGLPOCENJC-UHFFFAOYSA-N	308.773	1.956	50	20	DDGD	
C[C@H]1CC(=NNC(=O)Cc2cc(O)nc(S)n2)C[C@H](C)C1	747751701	NKYXKAVPHBWSHR-RKDXNWHRSA-N	308.407	1.942	50	20	DDGD	
O=C(NCC(F)(F)F)NN=c1c(=O)c2cccc3cccc1c32	917552952	AMNUNTUSXBPIBE-UHFFFAOYSA-N	321.258	1.906	50	20	DDGD	
CCC[C@@H]1CCC[C@@H]1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	832894526	QIBUZGVUWBBOBR-MCIONIFRSA-N	316.467	1.695	50	20	DDGD	
Cn1ccnc(NNC(=O)CCc2cc(F)ccc2F)c1=O	747942636	YREBRYMEXSOYQM-UHFFFAOYSA-N	308.288	1.134	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1ccc2c(c1)CCO2	917543955	UTSCJSAMLFUNKU-ZDUSSCGKSA-N	317.389	1.040	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)Cc1ccccc1Br	910166487	XCUFUEFNBCTWLR-SECBINFHSA-N	301.184	1.335	50	20	DDGD	
COc1ccc2c(c1)OCC[C@@H]2NC(=O)NNC(=O)C(C)(C)C	743598975	QLBFRDGSIIFPQU-LBPRGKRZSA-N	321.377	1.895	50	20	DDGD	
O=C(CN1CCSC1=O)NNc1ncccc1C(F)(F)F	740093171	IXIFPUQQGYHBJW-UHFFFAOYSA-N	320.296	1.712	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21	842195369	NEUVEBQYKFDHLJ-CQSZACIVSA-N	316.361	1.303	50	20	DDGD	
CC[C@H](NC(=O)NN[C@]1(C)CCS(=O)(=O)C1)[C@H]1CC1(C)C	842189045	CGUJXGYZWWWLGR-UHIISALHSA-N	317.455	1.192	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2cnn(C)c2)n1	917207920	PPVZDDIHFHFCMG-UHFFFAOYSA-N	304.379	1.069	50	20	DDGD	
CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)c1ncccn1	841350002	DBBATYVSWLWRPP-ZDUSSCGKSA-N	314.345	1.404	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NNc1ncc(Br)cn1	848319932	GLYDMKBWHPDEDJ-SFYZADRCSA-N	301.144	1.107	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNC(=O)c1cc(Cl)ccc1O	842223859	GTXHSQXXDQDKRS-GFCCVEGCSA-N	314.769	1.868	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cc[n+]([O-])cc2)cc1C(F)(F)F	746896315	NPNBFFUFTPZKQV-UHFFFAOYSA-N	322.246	1.967	50	20	DDGD	
O=C(Cc1ccc2c(c1)OCO2)NNC(=O)c1ccccc1O	918691217	WOBYJPGYQZBZAN-UHFFFAOYSA-N	314.297	1.125	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2nnc(C3CC3)s2)n1	840471939	XIZYGPHRKGYYDZ-UHFFFAOYSA-N	319.394	1.649	50	20	DDGD	
Cc1c(NNC(=O)N[C@H]2CCC[C@H](N)C2)cccc1[N+](=O)[O-]	841981338	ZPQIESBIQKLIHA-QWRGUYRKSA-N	307.354	1.799	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CSc2n[nH]c(C)n2)n1	748853108	HASQZJJRILGREU-UHFFFAOYSA-N	313.774	1.100	50	20	DDGD	
CC(C)[C@@H]1C[C@H](CC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CCO1	843659144	HLHIIXCJQDYQDL-MQYQWHSLSA-N	312.410	1.400	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H](C)CN2CCOCC2)cc(C)c1O	916363663	XPMGUDOEZCLZEQ-AWEZNQCLSA-N	319.405	1.427	50	20	DDGD	
CSCC1(CC(=O)NNC(=O)CNc2ccccc2)CC1	846627752	HXCZCDJBKBIQIX-UHFFFAOYSA-N	307.419	1.779	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cc([N+](=O)[O-])ccc1Cl	744812108	GNBYWXGZXYBPLL-UHFFFAOYSA-N	312.713	1.223	50	20	DDGD	
CCC(CC)(CO)C(=O)NNC(=O)COc1ccc(C)cc1	847288010	QWMFNUBRPAQSHG-UHFFFAOYSA-N	308.378	1.320	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)C(C)C	743636562	GMCHGBJJURNECH-CYBMUJFWSA-N	311.357	1.370	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1ccc(O)c(Br)c1	844583428	XBQCJPVGLGVSHZ-UHFFFAOYSA-N	314.183	1.557	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCC[C@H]1CCNC1)c1ccccc1	841935451	IPQDNSLATDYAAD-CYBMUJFWSA-N	318.421	1.294	50	20	DDGD	
CN(C)c1nccc(NNC(=O)CCCOc2cccnc2)n1	743484879	SXIHIGHFIMECPI-UHFFFAOYSA-N	316.365	1.240	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1Cc1ccccn1)C1CCCC1	746122513	WSVQBRWQWZYISV-OAHLLOKOSA-N	316.405	1.384	50	20	DDGD	
O=C(NN=Cc1c[nH]c2ccc(F)cc12)[C@H]1CCS(=O)(=O)C1	747046830	INRPNJZMTKXFPT-VIFPVBQESA-N	323.349	1.192	50	20	DDGD	
Cc1nn(C)cc1C=NNC(=O)c1nnc(O)c2ccccc12	755545823	NGPNVYJHDGYWTH-UHFFFAOYSA-N	310.317	1.141	50	20	DDGD	
CC[C@H](N[C@@H](C)C(=O)NNC(=O)CC(C)C)c1c(C)noc1C	754542292	AMJXEARGBIHOCF-AAEUAGOBSA-N	324.425	1.914	50	20	DDGD	
O=C(NN=Cc1ccc2ncccc2c1)[C@@H]1CN2CCC[C@@H]2CO1	853387371	WDQKNLAVJMJPDH-WBVHZDCISA-N	324.384	1.548	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2CC[C@H]2C(N)=O)c1C	854186546	NIPZPFGNGWTVCE-GHMZBOCLSA-N	320.418	1.133	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNC(=S)NCC1CCC1	855090628	JEJRKQWSIAZDPN-SECBINFHSA-N	323.466	1.816	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNC(=O)OCC(F)(F)F)c1C	856019118	PYAGVYILOKMAJY-UHFFFAOYSA-N	322.287	1.382	50	20	DDGD	
CC[C@@H](CN1CCCC1)NC(=O)NNc1cncc(Cl)n1	758850796	DFHDSJFTRYEMDQ-JTQLQIEISA-N	312.805	1.631	50	20	DDGD	
CC(C)(C)NCCC(=O)NNC(=O)c1ccc2ccccc2n1	929099658	LHIQFLOGPWXUTN-UHFFFAOYSA-N	314.389	1.774	50	20	DDGD	
Cc1c(NC(=O)NC[C@]2(C)C[C@H]2Br)nnn1C	856876892	SRCCLOCUSMEFIX-XCBNKYQSSA-N	302.176	1.419	50	20	DDGD	
CC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)c1cnn(C)c1	920826407	FPTRTNGFZBBTCA-UHFFFAOYSA-N	302.294	1.065	50	20	DDGD	
C[C@@H](OC[C@H]1CCCCO1)C(=O)NNc1ncc(Cl)cn1	857355342	AKSJBOGRIIQROX-MWLCHTKSSA-N	314.773	1.547	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@@H]3NCC[C@H]3C2)C[C@H]1Br	857105324	JNCGUMSTDRMLCG-MEWQQHAOSA-N	316.243	1.553	50	20	DDGD	
O=C(CCOC[C@@H]1CCCO1)NNc1ncccc1[N+](=O)[O-]	759286270	ZUQOGHYMYAOCAC-JTQLQIEISA-N	310.310	1.019	50	20	DDGD	
COC(=O)[C@@H]1CN(C[C@H](CBr)C2CC2)CCO1	859119972	YYMLTYPDMRENOH-QWRGUYRKSA-N	306.200	1.281	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2	921042675	JOSFAZNNRUPZJZ-QMMMGPOBSA-N	322.390	1.473	50	20	DDGD	
CO[C@H]1CCC[C@H]1CNC(=O)NNC(=O)c1cc(C)cs1	858345356	AZKFCMXNTPFERR-QWRGUYRKSA-N	311.407	1.816	50	20	DDGD	
CCC(CC)c1cc(CNC(=O)NNC(=O)c2cn[nH]c2)on1	858251727	UCXKCZDYVPEXLR-UHFFFAOYSA-N	320.353	1.446	50	20	DDGD	
COC(=O)NN=C(C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	853258298	XLNZNUSTVNYHTF-SNVBAGLBSA-N	301.343	1.354	50	20	DDGD	
CC(=NNC(=O)c1ccc(N)cc1)c1cc(C(=O)O)ccc1O	757451505	REQOYJRWMNJSLL-UHFFFAOYSA-N	313.313	1.827	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNC(=S)NC(C)(C)C)ccn1	759798529	YYRUPYKPVDYPJC-UHFFFAOYSA-N	310.423	1.776	50	20	DDGD	
CC(C)c1ccc(NNC(=O)c2cnn(C[C@@H](O)CO)c2)cc1	854884243	CRFHIICMPQQQPY-OAHLLOKOSA-N	318.377	1.117	50	20	DDGD	
CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)NNC(=O)C2CCC2)C1	750297638	TUGAWPRWBMXUBG-IDFMNXDXSA-N	315.439	1.197	50	20	DDGD	
CN(C)C(=O)c1ccc(C=NNC(=O)c2cccc(C#N)c2)[nH]1	752165258	PHOHKABXQPSKCI-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
CCN(CCC#N)S(=O)(=O)NC[C@]1(C)C[C@H]1Br	856752679	LCKWOJDXWFBFCO-ZJUUUORDSA-N	324.244	1.230	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C=NNC(=O)NCC2CC2)c1C	920830028	ZJDPMZFQCCTBOP-UHFFFAOYSA-N	306.366	1.851	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NNc1cc(F)ccc1F	921726664	GNNQKKYVGYAVCD-MWLCHTKSSA-N	312.320	1.506	50	20	DDGD	
O=C(CCc1nc(C2CCCC2)no1)NNc1ccncn1	857521038	YLVQDOIRCXEFMH-UHFFFAOYSA-N	302.338	1.593	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2cnc(C)n2C)n1	853262405	UIMMAZIPQPMALD-UHFFFAOYSA-N	318.406	1.378	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1c(C)cccc1Br	854920649	GQNJARONXVGADJ-UHFFFAOYSA-N	316.224	1.838	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)CC[C@H]1C	852709509	WYUPFSBUJYBOSG-VWYCJHECSA-N	308.357	1.989	50	20	DDGD	
C[C@H]1CCCC[C@@H]1CC(=O)NNC(=O)CNC(=O)c1ccco1	751203966	UDUFGUIUXIHAAM-NWDGAFQWSA-N	321.377	1.373	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1cc2n(n1)CCO2	857545902	LUVNCYVQZDPUQH-UHFFFAOYSA-N	322.756	1.599	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)cc1	756274012	OISSVJHSMKURMN-TXEJJXNPSA-N	320.393	1.863	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H]1CCN(C)C(=O)C1	751169513	HJQPIVKXIDRAKA-SECBINFHSA-N	308.290	1.377	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N1C[C@H](C)[C@@H](C)C1	752000347	RTZASTUNPVXFCZ-QWRGUYRKSA-N	315.377	1.585	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)c1cc(Cn2cccn2)on1	857533825	NVAVWGJDNQPDII-UHFFFAOYSA-N	320.259	1.350	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@@H]1CCc2n[nH]cc2C1	856879224	KPZJXUXKVBRABG-SECBINFHSA-N	307.745	1.037	50	20	DDGD	
Cc1ccc2nc(C(=O)NNC(=O)CC(F)(F)F)cn2c1	862058352	KONHJLWYWUJJGB-UHFFFAOYSA-N	300.240	1.356	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cn(C)nc2C(C)(C)C)n1	769570277	YXNZIGUNJLDMHW-UHFFFAOYSA-N	316.409	1.681	50	20	DDGD	
COC1(C(=O)NNC(=O)N=c2cc[nH]cc2)CCCCCC1	935858048	NWBJGOFYKQEUOT-UHFFFAOYSA-N	306.366	1.396	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cnn(C3CC3)c2)c(F)c1	861940540	VAEMCGVEBMZJTL-UHFFFAOYSA-N	318.308	1.901	50	20	DDGD	
COC[C@@](C)(NC(=O)NNC(=O)c1ccccc1)C(F)(F)F	932336379	KSCAEPRUMCHJFU-GFCCVEGCSA-N	319.283	1.598	50	20	DDGD	
O=CN1CCC[C@H]1C(=O)NNc1nc2ccccc2[nH]c1=S	862295109	YOANWFFXJSIIRR-NSHDSACASA-N	317.374	1.356	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CCSC1	761805992	ZPZWGJVBXYLCRM-NXEZZACHSA-N	312.366	1.494	50	20	DDGD	
O=C(NN=Cc1cnc(C2CC2)o1)[C@@H]1COc2ccccc2O1	863066915	ZQPHPRJMNGBDIG-AWEZNQCLSA-N	313.313	1.842	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)c1cc(C)[nH]n1)O[C@@H](C)C2	764795049	MROLUXNFOGOJTD-JTQLQIEISA-N	314.345	1.814	50	20	DDGD	
Cc1ccc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)nc1	761805722	XBYZCKJJNGYEOM-UHFFFAOYSA-N	307.317	1.130	50	20	DDGD	
CN(C(=O)c1cc(B(O)O)ccc1F)C1CCCCCCC1	863872550	VLWAFZKYQXIDDM-UHFFFAOYSA-N	307.174	1.690	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2cc(Br)cs2)N1	863147040	XCUUWDMAFCSRIC-QMMMGPOBSA-N	316.180	1.239	50	20	DDGD	
C[C@@H](NNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)C(F)(F)F	862307719	OMPQCEVYYHTOST-RXMQYKEDSA-N	317.227	1.656	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21	860541180	SOVMWVQBJFZGEH-YNEHKIRRSA-N	321.471	1.431	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ncc2ccccn12	869217191	PYCNGOAKRXTEQK-UHFFFAOYSA-N	303.391	1.243	50	20	DDGD	
O=C1N[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)CCO1	860325070	AWQKEGDMXZADAE-VIFPVBQESA-N	314.685	1.190	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(-n3nccc3C)cc2)n[nH]1	765585673	CULSCFBFTZCMPO-UHFFFAOYSA-N	324.344	1.287	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(Cl)Cl	867471078	BXWYVUORDDRDRB-UHFFFAOYSA-N	313.162	1.985	50	20	DDGD	
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1cscn1	767901597	UZTZSDFAAXBTLE-UHFFFAOYSA-N	306.303	1.911	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)CCOc2ccccc2)n(C)n1	874251021	IRJODCDDPZSUBU-UHFFFAOYSA-N	316.361	1.213	50	20	DDGD	
COCC(=O)NN=Cc1cc2c(cc1OC(F)F)OCO2	761816762	CFOFPVAHLAGLPV-UHFFFAOYSA-N	302.233	1.113	50	20	DDGD	
Cc1ccn(CC(=O)NNC(=S)Nc2ccc(C)c(C)c2)n1	873762245	RLOXNSGTJAVLOV-UHFFFAOYSA-N	317.418	1.826	50	20	DDGD	
C=CC(C)(C)CC(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1	877998745	DHOXXKLUEGGRDA-STQMWFEESA-N	311.426	1.235	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H]2NC(=O)O[C@H]2C)c1	873757450	ZPKBPOQQLQPCEZ-GXSJLCMTSA-N	322.390	1.118	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1c(C)nc2sccn12	874106483	NWOGLAWMSOVZGO-UHFFFAOYSA-N	320.403	1.815	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccccc1OC(F)(F)F	875034331	LWFMRUQVTLCIDS-UHFFFAOYSA-N	321.255	1.998	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)C1CCCC1	772168875	UNNMMTKDLHSWNM-RYUDHWBXSA-N	312.410	1.938	50	20	DDGD	
COC(=O)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1Cl	1116189442	OSANCUIDDFQDFG-UHFFFAOYSA-N	320.736	1.457	50	20	DDGD	
CN(C)C(=O)OCCOC(=O)/C(C#N)=C\c1ccc(O)cc1	1116662948	DXRHOAKPUIVHTI-XFXZXTDPSA-N	304.302	1.541	50	20	DDGD	
Cc1nc(NC2CC2)sc1C(=O)NNC(=O)CC(F)(F)F	770996644	CRCZJXUYWAJTAA-UHFFFAOYSA-N	322.312	1.739	50	20	DDGD	
NC(=O)C(=O)NN=CCCOc1ccc(Cl)c(Cl)c1	777420613	FAENEJJWFQUJEB-UHFFFAOYSA-N	304.133	1.350	50	20	DDGD	
Cc1onc(CC(=O)NNc2ccc([N+](=O)[O-])cc2)c1C#N	779536899	NWFVOAZWCQBTQG-UHFFFAOYSA-N	301.262	1.449	50	20	DDGD	
COc1cc(CCNC(=O)NNc2cccc(C)n2)ccc1O	875291414	DVLWKLOAEBSTJH-UHFFFAOYSA-N	316.361	1.973	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cnc2c(c1)nnn2C	772865879	BSOWKRXLWFREAS-UHFFFAOYSA-N	312.337	1.034	50	20	DDGD	
CC[C@@H](Cc1cccc(C)c1)C(=O)NNC(=O)c1cccnn1	882056099	JZXCYWCZUPWHIC-AWEZNQCLSA-N	312.373	1.815	50	20	DDGD	
CC[C@@H](C(=O)NNc1nccnc1C(C)C)N1CCCC1=O	772843890	ITOMHSNMINPZBS-NSHDSACASA-N	305.382	1.444	50	20	DDGD	
O=C(CN1CCC(CO)CC1)NNc1cccc2c1CCCC2	1120710294	LAEAAPMBJNLUMR-UHFFFAOYSA-N	317.433	1.713	50	20	DDGD	
COCCOCCC(=O)NNc1ccnc(Br)c1	771553274	TUWAYTIKICWPGZ-UHFFFAOYSA-N	318.171	1.340	50	20	DDGD	
COCc1nc(C(=O)NNc2ccc(C#N)c(Cl)c2)no1	775404999	IDQWIKHURBDMMM-UHFFFAOYSA-N	307.697	1.498	50	20	DDGD	
CN1C(=O)CC[C@H]1C(=O)NNC(=O)c1cccc2ccccc12	784037469	OQNVAXWYVYFROV-AWEZNQCLSA-N	311.341	1.222	50	20	DDGD	
Cc1c[nH]cc(C(=O)NNC(=O)C(C)(C)c2ccccc2)c1=O	781426702	RXCMZDHSRMHNOY-UHFFFAOYSA-N	313.357	1.422	50	20	DDGD	
O=C(NN=Cc1cnn(C2CCC2)c1)c1n[nH]c2c1CCCC2	1120245387	IFBIHQZSMKQUDN-UHFFFAOYSA-N	312.377	1.974	50	20	DDGD	
Cc1coc(C)c1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	785668074	BLGKBYGNRVWWGJ-UHFFFAOYSA-N	303.274	1.879	50	20	DDGD	
CN1C[C@H]2CN(C(=O)NC[C@]3(C)C[C@@H]3Br)C[C@H]2C1	895922174	HMFAHPSDMQLEFO-NOHGZBONSA-N	316.243	1.363	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	785409393	AHQBRVNCORIIJG-HXFLIBJXSA-N	309.288	1.083	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1ccc(OC2CCCC2)nc1	781675565	WSSWXIWUQGAAKV-UHFFFAOYSA-N	314.345	1.806	50	20	DDGD	
Cc1cc(Cl)c(C(=O)NNc2nccn(C)c2=O)cc1C	781428316	CMPIZFYKXVQOAX-UHFFFAOYSA-N	306.753	1.807	50	20	DDGD	
C[S@](=O)c1ccc(C(=O)NNc2ncncc2Cl)cc1	781833704	KNXXHEUUUMLQRV-FQEVSTJZSA-N	310.766	1.624	50	20	DDGD	
CCOCCC1(CNC(=O)NNc2ncncc2Cl)CC1	781010721	YXZUTTANNBIFBT-UHFFFAOYSA-N	313.789	1.963	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21	899999504	PMVSNERUIHQMQG-FRRDWIJNSA-N	303.431	1.866	50	20	DDGD	
C=CCNc1ncc(C(=O)NNc2cccc(OC)n2)s1	780772195	BXNCEZYYGCHJEX-UHFFFAOYSA-N	305.363	1.902	50	20	DDGD	
NC(=O)[C@H]1CCC[C@H](C(=O)NNc2cc(F)c(F)c(F)c2)C1	787133629	HTIQHPVQSNNYDQ-YUMQZZPRSA-N	315.295	1.839	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCC(=O)c1ccc2c(c1)CCN2C=O	786680468	ZSXVIGADYPAMSW-CHHVJCJISA-N	324.336	1.791	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1cccc(F)c1C	792374387	ABHBYCOROCHBJH-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
CC(C)(C)n1cc(C=NNC(=O)c2ccc(Cl)nc2)nn1	790158061	SCTRWKAWLMLHDF-UHFFFAOYSA-N	306.757	1.845	50	20	DDGD	
O=C(Cc1ccncc1)NN=Cc1nccn1-c1ccccc1	790166992	GPVOBHASDRYHKH-UHFFFAOYSA-N	305.341	1.960	50	20	DDGD	
O=C(NN=CCC1CCCCCC1)[C@H]1CCS(=O)(=O)C1	799106543	ITEKXDYKAXZPSI-ZDUSSCGKSA-N	300.424	1.884	50	20	DDGD	
O=C(Cc1ccccc1F)NN=C1CC(=O)N2CCCC[C@@H]12	799479723	DIKMAIMTQIOVTF-AWEZNQCLSA-N	303.337	1.625	50	20	DDGD	
C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NNC(=O)Cc3ccsc3)CN2C1	1146686019	WPWBXRUJFDQTLZ-BNOWGMLFSA-N	321.446	1.558	50	20	DDGD	
CC1(C)CC(=NNC(=O)C[N+](C)(C)C)CN1Cc1ccccc1	794457002	OEPGWXHBRJGIBY-UHFFFAOYSA-O	317.457	1.849	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(F)ccc2-n2cccn2)ncn1	795102140	AUNIJDHRUXSPHC-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
CC(=NNC(=O)NC1CCCC1)c1ccc2c(c1)OCC(=O)N2	794904351	ZGFCFLHQWKOUOJ-UHFFFAOYSA-N	316.361	1.983	50	20	DDGD	
CCc1ccc(O)c(C(=O)NNc2nncc(N)c2Cl)c1	1319717850	LUHJYUWTTXOHQG-UHFFFAOYSA-N	307.741	1.737	50	20	DDGD	
CS(=O)(=O)Nc1ccccc1CC(=O)NNc1ccccn1	1319871836	SURMVDWHGPPHIJ-UHFFFAOYSA-N	320.374	1.139	50	20	DDGD	
O=C(C#Cc1ccccc1)NNC(=O)c1n[nH]c2c1CCCC2	1318898660	YRSDSWABQSESNY-UHFFFAOYSA-N	308.341	1.101	50	20	DDGD	
Nc1cnnc(NNC(=O)NOCc2ccccc2)c1Cl	1319308767	FWOYLQFZSQLZGX-UHFFFAOYSA-N	308.729	1.470	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C(C)(C)Oc1ccccc1	1328550179	BSLMCXFWFFGDOF-YPMHNXCESA-N	306.362	1.416	50	20	DDGD	
CSc1cc(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)ccn1	1328133227	AEUSXOLRVBHBHX-GXSJLCMTSA-N	324.406	1.059	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@H]1CCC[C@H](F)C1	1326766494	ITRXHWGMSHDIMB-STQMWFEESA-N	323.368	1.849	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1cc(-n2cccc2)ccc1F	1320275372	LINDKOOPHXOIDB-UHFFFAOYSA-N	306.297	1.152	50	20	DDGD	
CN1CCN(c2ccc(/C=C(\C#N)S(C)(=O)=O)cc2F)CC1	1321782974	DMLCCJVRGXIZMD-UKTHLTGXSA-N	323.393	1.487	50	20	DDGD	
O=C(NNC(=O)c1cnn2ccncc12)NC1CCCCC1	1321028360	AUIQTWLACYMAQZ-UHFFFAOYSA-N	302.338	1.006	50	20	DDGD	
CSc1cc(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)ccn1	1328133228	AEUSXOLRVBHBHX-KOLCDFICSA-N	324.406	1.059	50	20	DDGD	
Cc1cc([C@H](C)NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(C)o1	1325963010	AQWRAHIPHYTWAH-NHCYSSNCSA-N	309.366	1.713	50	20	DDGD	
Cc1ccnc(NNC(=O)c2ncc(C(N)=O)cc2Cl)c1	1336433132	KYXKRVYSXXJCFE-UHFFFAOYSA-N	305.725	1.294	50	20	DDGD	
Cc1cc(NNC(=O)c2cnn(C3CCOCC3)c2C)ncn1	1336736876	NIIQYVOZCDXREK-UHFFFAOYSA-N	316.365	1.398	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc(C)nc2Cl)nn1	1337649887	BVBKJVJPKTZISO-UHFFFAOYSA-N	320.740	1.224	50	20	DDGD	
C=C(CI)n1cc(CCCOC)nn1	1333952728	KUZKSMMRSMINLY-UHFFFAOYSA-N	307.135	1.763	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=S)NCC2CCC2)cn1	1261740575	GZODWDWEUMEBSE-UHFFFAOYSA-N	308.407	1.389	50	20	DDGD	
C=C(C)CCC(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	1347093209	JWTRQZCWABHOSB-UHFFFAOYSA-N	311.407	1.736	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1nc(C2CC2)cs1	1346411063	PJFHUHYNTMFQRN-UHFFFAOYSA-N	302.359	1.419	50	20	DDGD	
C[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1	1351736462	FZLVDBIBQIFXMJ-SECBINFHSA-N	316.191	1.200	50	20	DDGD	
Cc1ccn([C@H](C)CC(=O)NNc2ccccc2C(=O)O)n1	1600594776	OGEKVTKIQAACJH-LLVKDONJSA-N	302.334	1.984	50	20	DDGD	
CO[C@H](C1CC1)[C@@H](C)NC(=O)NNc1cccc(C(=O)O)c1	1606668613	BFQJLZXJXWFQOG-RNCFNFMXSA-N	307.350	1.824	50	20	DDGD	
C/C(=C/CNC(=O)NC[C@]1(C)C[C@@H]1Br)C(=O)O	1602971396	ADIKEZRKDQQIFI-CKGAEBQVSA-N	305.172	1.490	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C[C@](C)(O)C(=O)O)C1	1604370471	YUFNJFLZPCCOLI-RISCZKNCSA-N	303.475	1.918	50	20	DDGD	
Cc1c(NNC(=O)Nc2nnn(C(C)C)n2)cccc1C(=O)O	1607552136	HRUXGYAYNYTOFA-UHFFFAOYSA-N	319.325	1.409	50	20	DDGD	
C[C@H](CC(=O)NNc1ccc(CC(=O)O)cc1)[C@@H]1CCCO1	1604068391	PPKJTZBFNBZICM-RISCZKNCSA-N	306.362	1.962	50	20	DDGD	
Cc1oc(C=NNC(=O)COc2ccc(F)cc2)cc1C(=O)O	1608042660	BQYHFKODZHJQSK-UHFFFAOYSA-N	320.276	1.954	50	20	DDGD	
Cc1ncc(C(=O)NNc2cccc(C(=O)O)c2C)c(C)n1	1600734460	WVCBMQKVDQBRAX-UHFFFAOYSA-N	300.318	1.857	50	20	DDGD	
Cc1cc(C(=O)NN[C@@H](Cc2ccc(F)cc2)C(=O)O)c(C)o1	1600095475	SNRUNKGDCMPYNA-AWEZNQCLSA-N	320.320	1.966	50	20	DDGD	
O=C(O)C1(C(=O)NNc2cncc(Br)c2)CC1	1610725261	ZPPOSZUYDCTGCY-UHFFFAOYSA-N	300.112	1.152	50	20	DDGD	
C[C@@H]1OCC(=NNC(=O)[C@@H]2CCCO[C@@H]2c2nccn2C)[C@H]1C	1549317338	UTMPJGHIILBCML-FMSGJZPZSA-N	320.393	1.415	50	20	DDGD	
CC(Cc1cccs1)=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549319268	SVERPNDMANNTFO-TZMCWYRMSA-N	307.419	1.646	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@@H]1C(=O)NCC(Cl)Cl	1552139424	QWMRZEHBXHKSDI-WPRPVWTQSA-N	306.193	1.901	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CC2CC(N)C2)c1	1579673007	SNPLZUXDEHKOGU-UHFFFAOYSA-N	306.435	1.748	50	20	DDGD	
CNC[C@@H](C)C(=O)NNc1cc(Br)ccc1F	1578622965	BJNPJVGTBNHLEY-SSDOTTSWSA-N	304.163	1.887	50	20	DDGD	
O=C(CCC1CCCCCC1)NNC(=O)NC1CCNCC1	1580524778	ULBDYTASQMHHTL-UHFFFAOYSA-N	310.442	1.819	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(N2CCCCC2)c(C(=O)O)c1	1589150067	JHRVIVANMAUXLJ-UHFFFAOYSA-N	320.349	1.548	50	20	DDGD	
CC(C)(C)C(=O)NNC(=S)Nc1ccccc1-c1nn[nH]n1	1589084149	IEXVYVZUOYFMFB-UHFFFAOYSA-N	319.394	1.230	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](C)S)C2	1845167797	VEAAUFAXZVEOCC-NXEZZACHSA-N	304.843	1.526	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)C2(F)CC2)C1	1845893991	GAVQBHVJYMRHSU-JTQLQIEISA-N	302.777	1.709	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cc2ncccc2o1	1593164684	IFYDFNZILUWKBP-UHFFFAOYSA-N	321.300	1.765	50	20	DDGD	
CCn1[nH]c(C)nc1=NC(=O)NNc1cccc(C(=O)O)c1C	1597944149	AFAXXIBNKHAOMK-UHFFFAOYSA-N	318.337	1.184	50	20	DDGD	
COc1cccc(C(=O)NNc2cccc(C(=O)O)c2C)n1	1599642636	YVRQGUZJHMIOEI-UHFFFAOYSA-N	301.302	1.854	50	20	DDGD	
C[S@@](=O)c1cccc(C(=O)NNc2cccc(C(=O)O)c2)c1	1599778051	CITGMQQWIAINDO-JOCHJYFZSA-N	318.354	1.879	50	20	DDGD	
COc1ccnc(OC)c1C(=O)NNc1ccccc1C(=O)O	1599722450	IHBBBYIGHWFIRG-UHFFFAOYSA-N	317.301	1.554	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)NC1CCCCC1	1593165924	LXSNIHYHFNKQSA-UHFFFAOYSA-N	301.354	1.826	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1c(C)ccn1C	1599377094	JOBUZZDJTLQYPH-UHFFFAOYSA-N	303.318	1.797	50	20	DDGD	
CCc1ccc(NNC(=O)Nc2ccc(C(=O)O)nn2)cc1	1597552402	YMTUXFCACKYLAH-UHFFFAOYSA-N	301.306	1.886	50	20	DDGD	
CC(CC1(C(=O)O)CCC1)=NNC(=O)c1ccc(=O)n(C)c1	1776103450	JPVQXCSFVMWRTE-UHFFFAOYSA-N	305.334	1.136	50	20	DDGD	
CCc1cc(C(=O)O)c(C=NNC(=O)C[n+]2ccccc2)s1	1776058317	WNIZTUYJAYOKEK-UHFFFAOYSA-O	318.378	1.447	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=C1CCc2cccc(C(=O)O)c21	1776102043	FGVPGBVZRGLEJG-DGCLKSJQSA-N	302.330	1.576	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2	15590630	PYAFGXGZFUNPJS-SSDOTTSWSA-N	309.347	1.510	50	20	DDGD	
O=C(C[C@@H](C(=O)O)c1ccccc1)NNC(=O)c1ccccn1	16482125	QNYHOFIAXHMGNR-GFCCVEGCSA-N	313.313	1.101	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccccn2)cccc1[N+](=O)[O-]	17328986	JJLLYJIMTJDYHD-UHFFFAOYSA-N	300.274	1.373	50	20	DDGD	
NC(=O)Nc1cccc(NS(=O)(=O)CCCCCl)c1	163436460	QBBQPNXBRRXQAE-UHFFFAOYSA-N	305.787	1.938	50	20	DDGD	
C[C@@H](Sc1nnnn1C1CC1)C(=O)NNc1ccccc1F	152900736	FDBLZSUVBLZLCZ-MRVPVSSYSA-N	322.369	1.771	50	20	DDGD	
Cc1ccc2ncc(C(=O)NNc3ccccc3F)c(=O)n2c1	152882232	GLBQYKORUUJFGB-UHFFFAOYSA-N	312.304	1.899	50	20	DDGD	
C[C@@H](Cc1ccccc1Cl)C(=O)NNC(=O)c1cnn(C)c1	155239344	YNOVTLFIYXJLTC-JTQLQIEISA-N	320.780	1.713	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2C[C@@H]2c2sccc2C)[nH]n1	154056824	WBPWGIMFJQFGCM-UWVGGRQHSA-N	304.375	1.653	50	20	DDGD	
O=S(=O)(CBr)N1CC[C@H](N2CCCCC2)C1	127448870	SVRWQGYWEBWRJB-JTQLQIEISA-N	311.245	1.229	50	20	DDGD	
CN(CCn1cccn1)S(=O)(=O)c1ccc(CCl)cc1	707613952	QQPZOPINFKGRPY-UHFFFAOYSA-N	313.810	1.943	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccc(O)cc2)cc1	8157627	UIHPKOFLBLLNJS-UHFFFAOYSA-N	301.302	1.867	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)C[C@@H](c1ccccc1)C(C)C	103064678	DOJWBZHQHWYJJP-CQSZACIVSA-N	319.405	1.488	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN(C)[C@H](C)C2(C)CC2)n1	177251938	PBIKIIGKQRCARI-LLVKDONJSA-N	324.450	1.262	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1nccc(C(F)(F)F)n1	110103960	ZTQXECAVUXEINK-LURJTMIESA-N	322.312	1.533	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1	65212112	PCINGLOIGGRGLL-UHFFFAOYSA-N	319.283	1.686	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)c2cnn(C)c2)cc1C	117681293	DVQJPFFUZSNWPN-UHFFFAOYSA-N	316.361	1.267	50	20	DDGD	
CSc1ccc([N+](=O)[O-])c(C(=O)NNc2cnccn2)c1	114878785	DSUIXYSVPWHMFX-UHFFFAOYSA-N	305.319	1.864	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C[C@H](C)SC)cc1	119380965	QMLOPLDUDMTVKI-NSHDSACASA-N	310.419	1.917	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNC(=O)CCOc1ccccc1	61475232	WNAGUXNIWVGFJB-ZDUSSCGKSA-N	324.377	1.045	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@@H]2CCC[C@@H]21	176393533	DOBANJSYNDWUJW-KBPBESRZSA-N	302.378	1.629	50	20	DDGD	
COCCn1cc(NC(=O)NNc2ccccc2[N+](=O)[O-])cn1	170697544	UXGADIKOKBGEJJ-UHFFFAOYSA-N	320.309	1.586	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)C1[C@H]2CCC[C@@H]12	177601368	MHYCAKFEVXXDIL-ABTTWSKBSA-N	302.330	1.020	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)COc1ccc(C#N)cc1	66307056	KDFJKBSCYXANBE-LBPRGKRZSA-N	317.345	1.066	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNC(=O)c1cccc(OC)c1O	65619241	BJLFOUSCAPFKRK-SNVBAGLBSA-N	310.350	1.367	50	20	DDGD	
COc1ccccc1OCC(=O)NNc1cc(C)nc(C)n1	128884696	RDEBEDJYKZNVFJ-UHFFFAOYSA-N	302.334	1.624	50	20	DDGD	
CCCCNc1ccccc1C(=O)NNc1nccn(C)c1=O	129096063	KSOFMXJIEYZRIJ-UHFFFAOYSA-N	315.377	1.749	50	20	DDGD	
Cn1ncnc1NC(=O)NNC(=O)c1cc2ccccc2o1	183335637	DKJWJNZNZRYYNZ-UHFFFAOYSA-N	300.278	1.028	50	20	DDGD	
C=C(C)CN(CC)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	120102414	XNVJOFVMOHEDJP-UHFFFAOYSA-N	320.349	1.254	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1C(=O)NNc1cc(C)nc(C)n1	128672405	WAVPGGIBYOCFJJ-UHFFFAOYSA-N	317.305	1.767	50	20	DDGD	
C[C@@H](CCc1ccccc1F)C(=O)NNC(=O)[C@@H]1CCCO1	79552158	XTYFGUQACSINCW-FZMZJTMJSA-N	308.353	1.721	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1cccc(OC(C)C)c1	70916589	PINLINSPJIOFRU-UHFFFAOYSA-N	307.419	1.698	50	20	DDGD	
O=C(/C=C\c1ccccc1)NNC(=O)[C@@H]1COc2ccccc2O1	212376023	KUNBJUJFHYHZGF-SNGWPZLWSA-N	324.336	1.687	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCc2cnn(C)c2C)cc1	122016087	NLKIMTZACJRBKB-UHFFFAOYSA-N	315.377	1.435	50	20	DDGD	
CC(C)(C)C(=O)N1CCN(S(=O)(=O)CCCCCl)CC1	153391904	XQWRSRHMWRBVJT-UHFFFAOYSA-N	324.874	1.526	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H]2CCCOCC2)cc(C#N)n1C	182132610	GYHNMBVPXQMFPB-NHXNDTTKSA-N	312.373	1.797	50	20	DDGD	
Cc1cc2occ(C(=O)NNC(=O)C(=O)NC3CC3)c2cc1C	184012823	ADFLOEPROVZIHU-UHFFFAOYSA-N	315.329	1.089	50	20	DDGD	
Cc1csc([C@H](NC(=O)NNC(=O)[C@@H]2CCCO2)C2CC2)n1	74666067	LYUPLOGPOWOTLT-WDEREUQCSA-N	324.406	1.412	50	20	DDGD	
CO[C@H](C)CCC(=O)NNC(=O)Cc1nc2ccccc2n1C	182966992	LEHLENDFVDNOLY-LLVKDONJSA-N	318.377	1.078	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC[C@H](C)N2CCCCC2)o1	182698410	HNJYGNDSYYDCRX-LBPRGKRZSA-N	322.409	1.797	50	20	DDGD	
CC1(C)C[C@@H](NC(=O)NNc2nc3ccccn3n2)C(C)(C)O1	189798854	LLBDZLLSWHJITM-SNVBAGLBSA-N	318.381	1.702	50	20	DDGD	
CCc1ccc(S(C)(=O)=O)cc1C(=O)NNc1ccccn1	181245110	NLJLENFWYRYTMY-UHFFFAOYSA-N	319.386	1.804	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@@H](C)CO[C@H]1CCOC1	185527460	KRAMWFQNBOKXPH-RYUDHWBXSA-N	311.357	1.954	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cnn(CC(C)C)c2)nc1	183381132	YDHLLIILJMWFMU-UHFFFAOYSA-N	317.349	1.478	50	20	DDGD	
O=C(Cc1ccccc1)NCC(=O)NNc1ccnc(F)c1	182530301	RTBQKANIHJVENV-UHFFFAOYSA-N	302.309	1.023	50	20	DDGD	
O=C(COCc1nc2ccccc2s1)NNc1ncccn1	43731162	LWVMFHYYFZPHRW-UHFFFAOYSA-N	315.358	1.746	50	20	DDGD	
C#CCN1CCC(C(=O)NNc2ccc([N+](=O)[O-])cc2)CC1	133739623	SDVOOLPMNRNYCL-UHFFFAOYSA-N	302.334	1.383	50	20	DDGD	
C[C@H]1CC[C@@H](CCC(=O)NNc2nc3ccccc3c(=O)[nH]2)O1	137184486	MIRZBYXKISVCQC-QWRGUYRKSA-N	316.361	1.714	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2nc(C)c(C)s2)n1	80589143	ZYJKGIWJNDEURH-UHFFFAOYSA-N	308.367	1.385	50	20	DDGD	
O=C(Cn1cc(C2CC2)nn1)NNc1cc(F)c(F)c(F)c1	133698867	HFSBRVDKDZXCDG-UHFFFAOYSA-N	311.267	1.716	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccncc1)n1cnc2ccccc21	193075351	RDHCDXMYMYANMZ-NSHDSACASA-N	309.329	1.454	50	20	DDGD	
O=S(=O)(CCCCCl)N(CCO)c1cccc(F)c1	190815931	ZQBQPCUGWKJRKZ-UHFFFAOYSA-N	309.790	1.973	50	20	DDGD	
COc1ccc2cc(C(=O)NNC(=O)N(C)C)c(C)nc2c1	194926947	XGLFUYHOFRCTBM-UHFFFAOYSA-N	302.334	1.468	50	20	DDGD	
COc1ccc(CCCC(=O)NNC(=O)N2CCOCC2)cc1	141530423	XUAVRQIMZHBNJE-UHFFFAOYSA-N	321.377	1.091	50	20	DDGD	
O=S(=O)(c1ccc(CCCCl)cc1)N1CCNCC1	237801284	XPCJCWIMZJKGRG-UHFFFAOYSA-N	302.827	1.452	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccc(F)cc2C1)c1ccccc1	90066859	GWOSFJBPYZVIIV-CYBMUJFWSA-N	314.316	1.838	50	20	DDGD	
C=CCN(C[C@@H](C)CBr)[C@H]1CCS(=O)(=O)C1	248750081	SOTYNQGFKDOBIM-QWRGUYRKSA-N	310.257	1.693	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CNc2ccccc2OC)n1	266962522	UQKKAQHAFXOHQU-UHFFFAOYSA-N	317.349	1.357	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc[nH]2)c(C2CCCCC2)n1	263850055	YEGURWFDVXIYHW-UHFFFAOYSA-N	315.377	1.871	50	20	DDGD	
COc1ccc(O[C@@H](C)CNC(=O)NNc2ncccn2)cc1	266830168	UCADGCNDEWYPTE-NSHDSACASA-N	317.349	1.579	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2cocn2)cc1	264312980	VKWFOHUMDRACRF-SNVBAGLBSA-N	319.317	1.302	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@H](C)c1ccccc1C	267194780	PIUWZBKVCZAQNS-CHWSQXEVSA-N	323.393	1.438	50	20	DDGD	
COc1ccc([C@H](C)NC(=O)NNC(=O)c2cnn(C)c2)cc1	265454085	XGGQINPUVVGPHV-JTQLQIEISA-N	317.349	1.134	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)C1CCC1)Oc1ccc(F)cc1	266506211	GDKCQZMORMSSBG-SNVBAGLBSA-N	309.341	1.724	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)CO[C@H](C)CC	269700328	MGXUQGAIJNMPBA-GFCCVEGCSA-N	324.377	1.427	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)[C@H]1CCCCO1	270571869	NXWNRHRLBCBJGD-GFCCVEGCSA-N	324.402	1.504	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)NNC(=O)c1ccc[nH]1)C(F)(F)F	278655336	NVOMMFVZGDRINE-CBAPKCEASA-N	306.288	1.936	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1cccc(-n2ccnn2)c1	272864177	SSCKURCDYRSOGA-UHFFFAOYSA-N	300.322	1.220	50	20	DDGD	
CSc1ccccc1C(=O)NNC(=O)N1CCN(C)CC1	278705465	SKXPJZRIEMJZIB-UHFFFAOYSA-N	308.407	1.010	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@@H]2CCO[C@H](C)C2)c1	271875760	PMEGLXRRKGCFJR-VXGBXAGGSA-N	321.377	1.070	50	20	DDGD	
CCC1(C(=O)NNC(=O)COCc2ccccc2)CCOCC1	272324362	MIEYNJQCNHESDS-UHFFFAOYSA-N	320.389	1.557	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@H]2CCOc3ccccc32)n1	370942815	SKMZXYWPYPKFDG-LBPRGKRZSA-N	313.361	1.552	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cccc(-n2ccnn2)c1	273458484	QCOKPOYIKXVQAU-UHFFFAOYSA-N	302.338	1.466	50	20	DDGD	
C[C@@H]1C[C@@H](CNC(=O)NNC(=O)Cc2ccc(F)cc2)CCO1	271596241	KPSBHMXDUKXWFR-YPMHNXCESA-N	323.368	1.514	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncccc1F)c1nnc2n1CCC2	287383051	NPKLLNYQPYSFBR-MRVPVSSYSA-N	305.317	1.146	50	20	DDGD	
CSSCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	284651289	MEOKAYXKKIWVOK-UHFFFAOYSA-N	308.406	1.884	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cccc2[nH]c(C)nc12	284452044	RBXUTEKDPJIWCJ-UHFFFAOYSA-N	323.447	1.343	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H]1C[C@@H](c2ccccc2)OC1=O	294009113	BFQIFDPLWPBORQ-STQMWFEESA-N	302.330	1.238	50	20	DDGD	
CC[C@H](C)[C@H](CNC(=O)NNC(=O)c1ccccc1O)OC	297617618	APLCFOQBNHCRCM-GWCFXTLKSA-N	309.366	1.397	50	20	DDGD	
CSC1(C=NNC(=O)c2nn(C)c(=O)c3ccccc23)CC1	800807182	PGOHGVSWPPYQGX-UHFFFAOYSA-N	316.386	1.545	50	20	DDGD	
O=C(NNC(=O)c1cnc(O)c([N+](=O)[O-])c1)Nc1ccccc1	801986729	FZSIATUQDORSBG-UHFFFAOYSA-N	317.261	1.162	50	20	DDGD	
O=C(CCc1cnc[nH]1)NNC(=O)Nc1ccc(Cl)cc1	802019275	ZLBREFOOMWQJHI-UHFFFAOYSA-N	307.741	1.849	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)c1cccc(N(C)C)c1)OC	290956793	NDWXDKVKJYNVKJ-ZDUSSCGKSA-N	308.382	1.122	50	20	DDGD	
Cc1ccc([C@@H](C)CNC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	297155329	IJIFZNUBVIOJEE-YDHLFZDLSA-N	319.405	1.996	50	20	DDGD	
CC1(C)CN(CC(=O)NNC(=O)C2CC2)[C@H]1c1cccs1	805839513	QQIUWXJZRRJTPE-ZDUSSCGKSA-N	307.419	1.688	50	20	DDGD	
O=C(/C=C/SCc1ccco1)NNC(=O)[C@H]1CCCCO1	295832723	ZJNPOVZMLKOQFG-UVMWJGKXSA-N	310.375	1.743	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cc(O)nc2ccccc12	802032153	QMNIOBPBMWRSFB-UHFFFAOYSA-N	323.312	1.224	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H]2C[C@@H](OCC)[C@@H]2OC)cc1	298160611	BPEZWCCKQIJKLA-RBSFLKMASA-N	323.393	1.904	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@@H]1CCOc2ccccc21	291645643	KEAKGIFMYKIQFE-YPMHNXCESA-N	305.334	1.020	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ncccc1C(F)(F)F	295274640	CBNKMXCGPFOATD-SECBINFHSA-N	317.267	1.431	50	20	DDGD	
COC1(CNC(=O)NNc2ncncc2F)CCC(C)CC1	293392807	PDZCEPPKRKTAMB-UHFFFAOYSA-N	311.361	1.837	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@H]1CC(=O)N(c2ccccc2F)C1	290955350	MRMMRBFLAMWJDF-ZKQHCESOSA-N	317.320	1.491	50	20	DDGD	
COc1cccc([C@@H](C)NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	297311376	IHRVQBKSKQOWDK-WDMOLILDSA-N	321.377	1.654	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(C2CC2)cc1)[C@@H]1CCCCO1	296768784	RDVTZDMUFYSIDF-AWEZNQCLSA-N	324.402	1.443	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)N1CCc2cc(F)ccc21	802574952	VKQUIRQOVLYMPM-UHFFFAOYSA-N	314.320	1.562	50	20	DDGD	
Cc1ccc(CCC(=O)NNC(=O)CN2CCCC2=O)c(C)c1	807326200	FKPFSGCVWDBIQH-UHFFFAOYSA-N	317.389	1.006	50	20	DDGD	
CC(=NNC(=O)N=c1cc[nH]cc1)c1ccc([S@@](C)=O)cc1	815003459	VYXHRQYTGWSGKC-JOCHJYFZSA-N	316.386	1.787	50	20	DDGD	
COC(=O)C(C)(C)CC=NNC(=O)[C@H]1COc2ccccc2O1	814700945	JKGLXHCXQPYOBY-CYBMUJFWSA-N	320.345	1.518	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccc(Br)cn1	817077076	DPMFXFWIYJWBLA-UHFFFAOYSA-N	312.102	1.530	50	20	DDGD	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNc1ncncc1F	817078155	YUNLFLXWRUHUML-SECBINFHSA-N	301.281	1.398	50	20	DDGD	
COc1cc(C=NNC(=O)Cc2cc[nH]n2)ccc1OCC#N	814955306	AMKMDBWEGGQVGV-UHFFFAOYSA-N	313.317	1.013	50	20	DDGD	
CC(C)(C#N)[C@H]1CCCC1=NNC(=O)[C@@H]1CCS(=O)(=O)C1	814782073	RAKYOGSPQGSDBR-MNOVXSKESA-N	311.407	1.243	50	20	DDGD	
COc1ccc(NC(=O)NNc2ncncc2F)c(OC)n1	814625106	OBGKWEDTTLTNKS-UHFFFAOYSA-N	308.273	1.177	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2ccc([S@](=N)(=O)O)cc2)n[nH]1	811645053	WNWWCYBQAYIBCE-UHFFFAOYSA-N	307.335	1.361	50	20	DDGD	
CCc1nocc1C=NNC(=O)COc1ccccc1[N+](=O)[O-]	814744500	ZBZZUKXOXWQDQO-UHFFFAOYSA-N	318.289	1.674	50	20	DDGD	
CCCS(=O)(=O)Nc1cccc(C(=O)NN(C)C2CC2)c1	819645220	BTCZCCBJDLYAPS-UHFFFAOYSA-N	311.407	1.577	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cnc2c(F)ccc(F)c2c1	815115087	PZKMEYFDPPTXPA-UHFFFAOYSA-N	320.299	1.867	50	20	DDGD	
CCn1c(SCC(=O)NN(C)C2CC2)nnc1-c1ccco1	819640941	HSGFQVRLOCXPDW-UHFFFAOYSA-N	321.406	1.776	50	20	DDGD	
CN(C)c1cc(C#N)cc(C(=O)NN=c2cc[nH]cc2Cl)c1	816126265	ZUUNZPLWPCDOHD-UHFFFAOYSA-N	315.764	1.851	50	20	DDGD	
CCCN(CC)C[C@H](C)NC(=O)NNc1cncc(Cl)n1	812700466	HJMRAODBDNTMAL-JTQLQIEISA-N	314.821	1.877	50	20	DDGD	
CC(C)C(=O)Nc1cc(C(=O)NNc2ncccc2F)ccn1	816640991	FBEHHQNUSHXKSC-UHFFFAOYSA-N	317.324	1.967	50	20	DDGD	
CCc1ccc(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)s1	825659982	DYWRQDGSWIBUJL-BXKDBHETSA-N	311.407	1.566	50	20	DDGD	
C[C@@H]1[C@@H](CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CCC[C@H]1C	826677255	KMSKEMKSTQABMF-XVIXHAIJSA-N	311.426	1.814	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)Cc1scnc1-c1ccccc1	823918163	ROYPANWGEXLSPK-LLVKDONJSA-N	305.403	1.696	50	20	DDGD	
CCN(CCO)NC(=O)C1(c2ccc(C)cc2)CCOCC1	823860171	MGSDLQIWGROKRU-UHFFFAOYSA-N	306.406	1.389	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cn2ccnc2C(C)C)nc1	821354578	KVTMFQPPGNEDHD-UHFFFAOYSA-N	317.349	1.331	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NNc1cnccn1	495471861	CLLUJNHYDGYZDB-WDEREUQCSA-N	321.381	1.613	50	20	DDGD	
Cn1ncc(Br)c1C(=O)NNC(=O)CC(C)(C)C	825727453	QQTZPSXBRQVYRY-UHFFFAOYSA-N	317.187	1.380	50	20	DDGD	
CN1C(=O)CC[C@@H]1CC(=O)NNc1nc(-c2ccccc2)no1	827106597	WSOFMXNNRRSILQ-LLVKDONJSA-N	315.333	1.191	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC(=NNC(=O)Cc2cc[nH]n2)CC1	495796902	ZBULPAOYVRXUQC-UHFFFAOYSA-N	321.381	1.455	50	20	DDGD	
Cc1cnc([C@H](C)NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)s1	826131931	XUMVTIDJEJIQII-AEJSXWLSSA-N	312.395	1.268	50	20	DDGD	
CCC(=CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)CC	820831648	AKBWMNRMNIERIC-UHFFFAOYSA-N	314.349	1.374	50	20	DDGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NN(C)[C@H](C)CO	823982785	DHSBSLOWKBVKFQ-SNVBAGLBSA-N	320.368	1.586	50	20	DDGD	
Cc1cc(C)cc(N2CC[C@H](C(=O)NN(C)[C@@H](C)CO)C2=O)c1	823964990	HEADNMVTZLJCMQ-DZGCQCFKSA-N	319.405	1.000	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H](C)CC(=O)c1ccc(OC)cc1	822781650	FHZFYCYLJSNWQT-JTQLQIEISA-N	307.350	1.254	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)C(=O)c1ccc(Cl)cc1	727096226	MNQRLRMTECBUBQ-UHFFFAOYSA-N	303.705	1.379	50	20	DDGD	
CC[C@@H](C)N1CCN(C(=O)/C(C#N)=C/c2cnn(C)c2)CC1	491163250	VTQQEOJDXSYMCB-GULXKOIASA-N	301.394	1.270	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(-c3nn[nH]n3)cc2C)ncn1	826271407	PREMLYRDLKXILZ-UHFFFAOYSA-N	310.321	1.030	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCc2cccc(F)c2[C@H]1C	827872635	FEESDBVOWCCJLX-LLVKDONJSA-N	307.369	1.548	50	20	DDGD	
CC(C)(CN1CCOCC1)C(=O)NNc1cccc(F)c1F	821164197	YMOQKOHVCUCAGS-UHFFFAOYSA-N	313.348	1.766	50	20	DDGD	
C[C@@H](OC[C@H]1CCCO1)C(=O)NN(C)C(=O)OC(C)(C)C	496792121	IABYUQVHOBPVJX-GHMZBOCLSA-N	302.371	1.469	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2CCN(CC3CC3)C2)C[C@@H]1Br	906617389	RRHADWVDSQUFTN-MDZLAQPJSA-N	301.228	1.760	50	20	DDGD	
C[C@@]1(C(=O)N(CCO)Cc2cccnc2)C[C@@H]1Br	907070894	HWCFUJGWFXSSRN-WCQYABFASA-N	313.195	1.576	50	20	DDGD	
CS[C@H](CNC(=O)c1ccc(B(O)O)c(F)c1)C(C)(C)C	584972856	ILONFYAVKKUNIA-GFCCVEGCSA-N	313.203	1.013	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C\c2cc(O)ccc2[N+](=O)[O-])n1	490811290	FBYKKGNXSMPDMW-POHAHGRESA-N	313.273	1.580	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C2(C(C)C)COC2)ccc1F	821880401	LYONICLOPKODLF-UHFFFAOYSA-N	310.325	1.728	50	20	DDGD	
CCN1CCO[C@@H](C(=O)NNc2nc3c(C)cccc3s2)C1	828363148	ZRDSDLANEDBGLR-LLVKDONJSA-N	320.418	1.769	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)NC(=O)NNC(=O)CC(F)(F)F	733849965	PAZJCCTVDFTYQU-RXMQYKEDSA-N	308.260	1.635	50	20	DDGD	
C[C@H]1CC(=NNC(=O)CNC(=O)OC(C)(C)C)c2nccn21	496696016	SMYWDELYEQDECK-VIFPVBQESA-N	307.354	1.193	50	20	DDGD	
CO[C@H](CNCc1ccc(B(O)O)o1)c1ccc(Cl)cc1	585026201	DAGUTEKCOJOJFP-CYBMUJFWSA-N	309.558	1.090	50	20	DDGD	
C[C@H](CNCc1ccc(B(O)O)cc1F)Sc1ccccc1	585026996	MKDNZFDQLVEJKM-GFCCVEGCSA-N	319.210	1.776	50	20	DDGD	
Cc1cc(C(F)(F)F)ccc1CNCc1ccccc1B(O)O	585036779	NDFFGSWDUWWCKY-UHFFFAOYSA-N	323.123	1.983	50	20	DDGD	
CCOC(=O)[C@H]1CN(C[C@H](C)CBr)CC12COC2	830274799	TWLKNTZHBVPHBC-GHMZBOCLSA-N	320.227	1.529	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccccc2SCC#N)cn1	735471303	UKFULGHQOYARQU-UHFFFAOYSA-N	315.358	1.111	50	20	DDGD	
O=C(c1ccc(CCC(F)(F)F)cc1)N1CC[C@@H](B(O)O)C1	585066429	OGZOYOLHKDRMRN-GFCCVEGCSA-N	315.100	1.870	50	20	DDGD	
O=C(O)COc1ccccc1C=NNC(=O)[C@H]1CCCCO1	834990577	SRXLIGTVLLXANO-CYBMUJFWSA-N	306.318	1.169	50	20	DDGD	
O=C(/C=C/c1ccsc1)NNC(=O)COc1ccccc1O	491561374	JYAJXIKWXSHTNG-AATRIKPKSA-N	318.354	1.693	50	20	DDGD	
CC(C)Oc1ccc(F)cc1S(=O)(=O)NNC(=O)N(C)C	901874377	PVPHKJBUAZUORW-UHFFFAOYSA-N	319.358	1.077	50	20	DDGD	
Cc1cccc2c1CCC[C@@H]2NCc1ccc(B(O)O)cc1F	585050268	VQLUWEJUYGHYIV-SFHVURJKSA-N	313.181	1.981	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2c(C3CC3)cnn2C)nc1	831284679	GNGCUKVTMJJUSR-UHFFFAOYSA-N	315.333	1.236	50	20	DDGD	
CC(C)[C@@H](NCc1cccc(B(O)O)c1)c1ccc(F)cc1	585041463	DDGHGNNULNDDPU-QGZVFWFLSA-N	301.170	1.992	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)C1(C(=O)C2CC2)CC1	832020336	IVABQDJFJILMCG-UHFFFAOYSA-N	300.362	1.947	50	20	DDGD	
COC(=O)N(C)NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1	908114453	INTNQDQJKKCLPQ-UHFFFAOYSA-N	319.239	1.373	50	20	DDGD	
Cc1nc(-c2cnn(C)c2)sc1C(=O)NNC(=O)C1CC1	734418226	OJTGHKBKUGGBAQ-UHFFFAOYSA-N	305.363	1.023	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1ccc(C#N)c(F)c1	836659987	OJVPOWSRISZLOX-UHFFFAOYSA-N	306.341	1.964	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)N[C@H](C)C[C@H](C)N)cc1	831197164	JPXNQGANAIBTEZ-NWDGAFQWSA-N	324.450	1.543	50	20	DDGD	
CCc1ccc(CC(=O)NNc2ccc(C(=O)OC)cn2)nc1	831285736	OOULFTPTQMUJQW-UHFFFAOYSA-N	314.345	1.511	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(COC)cc(C(=O)OC)c1	836644738	VLNNWJJWHOVYEZ-UHFFFAOYSA-N	309.322	1.182	50	20	DDGD	
CCn1ccnc1[C@H](C)NC(=O)NNc1cncc(Cl)n1	838690629	ZILQIXUAIJPZLT-QMMMGPOBSA-N	309.761	1.734	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CCSCC(=O)O)c1ccccc1	736223747	MAXDHRKUUQWMDD-UHFFFAOYSA-N	324.402	1.320	50	20	DDGD	
CCC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)cc1	833246793	RROKKIOEYXLSGI-AWEZNQCLSA-N	304.346	1.609	50	20	DDGD	
C[C@H]1CN(CCNC(=O)NNc2ccc(F)c(F)c2)CCO1	915830740	VPRAPKLJRUPAQG-JTQLQIEISA-N	314.336	1.312	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(Cl)cc1F)C(=O)N(C)C	914169096	NTUFMQMSGQDOAV-SSDOTTSWSA-N	302.737	1.582	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC[C@H]2CCC=CO2)c(F)c1	838565592	LLPVXRCPJXGTHS-LLVKDONJSA-N	323.324	1.931	50	20	DDGD	
O=C(NNC(=O)NC1CC=CC1)Nc1ccc2c(c1)OCO2	836361140	FUXZZENVPMVSBB-UHFFFAOYSA-N	304.306	1.470	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1[C@@H](CO)CC[C@@H]1CO	912228912	GFKCUIBPUCSLPU-BBBLOLIVSA-N	308.216	1.140	50	20	DDGD	
CCOCC(=O)NN=C(C)c1c(F)cccc1N1CCOCC1	741164591	RJHSQSJIHGGWLZ-UHFFFAOYSA-N	323.368	1.539	50	20	DDGD	
CC[C@H](N)CNC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	842008659	VTXTURSITLOKAF-OLZOCXBDSA-N	322.409	1.138	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)c1cc(OC)cc(OC)c1	749755747	FNYSWXHEBDXXRM-VIFPVBQESA-N	311.407	1.611	50	20	DDGD	
CC(C)(C)c1ccccc1C(=O)NNC(=O)CN1CCCC1=O	913731507	LHUHDKAZFRUXJQ-UHFFFAOYSA-N	317.389	1.368	50	20	DDGD	
O=C(NCc1cccc(F)n1)NNc1cccc([N+](=O)[O-])c1	749245500	YNHXYYHRQDIZIP-UHFFFAOYSA-N	305.269	1.955	50	20	DDGD	
CCOC(=O)C1(C(=O)NN=c2cc[nH]cc2Cl)CCCC1	843855077	CXUDCKPCIWGFRZ-UHFFFAOYSA-N	311.769	1.724	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@@H](C)CN2CCOCC2)cc1C	915952159	ALRDFSWYUKQSOD-HNNXBMFYSA-N	303.406	1.722	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H]2CC[C@@H](CN)C2)cc1	842009538	DSLGMMQHJFVGNL-OCCSQVGLSA-N	304.394	1.320	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H](c1c(F)cccc1Cl)N(C)C	910162802	KSJCBLCLEVJEPO-ZANVPECISA-N	317.792	1.426	50	20	DDGD	
O=C(NNc1cc(O)nc2ncccc12)[C@H]1CCCN1C1CC1	913990141	ASWRXYNHSFKXGS-CYBMUJFWSA-N	313.361	1.405	50	20	DDGD	
CC(CCc1ccco1)=NNC(=O)[C@H](C)CN1CCOCC1	917029170	TXCAYJBOLRWMMC-CYBMUJFWSA-N	307.394	1.673	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)C(=O)NNc1ccc(F)c([N+](=O)[O-])c1	842251890	SNEIGGIFKNZLPF-VIFPVBQESA-N	321.312	1.789	50	20	DDGD	
O=C(C[C@H]1CCOC1)NNC(=O)c1cc2ccccc2cc1O	740076280	VRIZWUMMIVARIP-LLVKDONJSA-N	314.341	1.733	50	20	DDGD	
O=C(NNc1cccc(F)c1F)N[C@@H]1CC[C@@H]2CNC[C@@H]2C1	842015275	LMYXTSMBOLLIDO-OUAUKWLOSA-N	310.348	1.979	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=C1CCN(CC(F)(F)F)CC1	842555296	LJRCBJFNOGPFMH-MWLCHTKSSA-N	307.316	1.542	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1cc(F)c(O)c(F)c1	749855580	PUBPIQYMEIJVFZ-UHFFFAOYSA-N	323.255	1.144	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccccc1-n1cccc1	917370977	IZUPNRKEPOMGPV-UHFFFAOYSA-N	308.341	1.891	50	20	DDGD	
O=C(O)CCOc1cccc(C=NNC(=O)NCC2CC2)c1	746680628	ZBBQLVKTALWKPZ-UHFFFAOYSA-N	305.334	1.583	50	20	DDGD	
Cn1c(NNC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)nc2ccccc21	848380412	FIPHURUJABNMRS-WDEREUQCSA-N	315.377	1.308	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)COc1ccc2c(c1)CCC2	843646343	KNVSFXIRRDMQNJ-ABAIWWIYSA-N	318.373	1.127	50	20	DDGD	
CC(=O)Nc1cccc(C(C)=NNC(=O)[C@@H]2CCO[C@@H]2C)c1	842551208	AWOCYQHRVDYTIK-IAQYHMDHSA-N	303.362	1.910	50	20	DDGD	
CC[C@@H]1CN(CC(=O)NNC(=O)c2ccc(F)cc2)[C@H](C)CO1	844391370	QDOKLXUYUBAXMP-BXUZGUMPSA-N	323.368	1.086	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNC(=O)c2ccc3ccccc3c2)o1	747390455	MEUSPQXCZVIYJD-UHFFFAOYSA-N	323.308	1.607	50	20	DDGD	
CCC/C=C/C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1	920457462	ILTCSHFYMDGWHN-WEVVVXLNSA-N	310.375	1.207	50	20	DDGD	
O=C(NCC[C@@]1(O)CCCOC1)NNc1cccc(F)c1F	845716596	XGUYGBWRGRDDCM-AWEZNQCLSA-N	315.320	1.523	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)C2(n3cnnn3)CCCCC2)c1	845856902	MNMAMZLFVDRBSC-UHFFFAOYSA-N	318.356	1.923	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC[C@H]1CCCNC1)c1ccccc1	841924153	VDWLHDNWJMRBCY-DZGCQCFKSA-N	318.421	1.510	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N[C@H](CO)C[C@H]1CCCO1	923745821	QCNPFTICSDHRPP-RDDKRXPLSA-N	318.348	1.779	50	20	DDGD	
CCN(C(=O)CNS(=O)(=O)CCCCl)c1ccccc1	921002871	LRZIJQIJBDOTRC-UHFFFAOYSA-N	318.826	1.588	50	20	DDGD	
Cc1[nH]ccc1C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855831727	FANUCFWLIBWNJJ-UHFFFAOYSA-N	308.382	1.027	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](OC)c2ccc(F)cc2)n1	859795021	BOYPDCJPTRVKFJ-ZDUSSCGKSA-N	320.324	1.764	50	20	DDGD	
O=C(NCC1CCN(CC2CC2)CC1)NNc1cccc(F)n1	852704419	BREBAJXLRRBNPK-UHFFFAOYSA-N	321.400	1.969	50	20	DDGD	
CC(C)(C)OCCCNC(=O)NNC(=O)c1cccc(C#N)c1	852057608	TXBQOWDWIWYFFK-UHFFFAOYSA-N	318.377	1.707	50	20	DDGD	
CNC[C@@H](C)NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	851680903	KUFCFLZPOSHOIN-GYPVXTSCSA-N	308.426	1.141	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H]2CCCCO2)c1C	853484962	ZSKJZPDQGIEASV-LBPRGKRZSA-N	321.377	1.977	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1ccc(N)cc1C	758099881	OJDUVFJPCOIBRF-CYBMUJFWSA-N	318.421	1.386	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)C[C@@H]1C=CCC1	855829023	DXXQKHUJLFXTFS-GFCCVEGCSA-N	309.410	1.433	50	20	DDGD	
COCCOC[C@H](C)NC(=O)NNc1c(F)cc(F)cc1F	920487414	FKMIRKXUUKOIHK-QMMMGPOBSA-N	321.299	1.782	50	20	DDGD	
CC[C@H](C)CC[C@H](O)CC(=O)NNC(=O)C1CCOCC1	923058862	MQSGLGPJSDKIEX-AAEUAGOBSA-N	300.399	1.138	50	20	DDGD	
CN1CCC[C@H](NC(=O)NNc2ccc(F)cc2Cl)C1=O	921313510	YOUBCTDEYXSMGL-NSHDSACASA-N	314.748	1.726	50	20	DDGD	
C=CC[C@H](CO)CNC(=O)NC[C@]1(C)C[C@H]1Br	856954186	PIHMTLSINWBSAR-UMNHJUIQSA-N	305.216	1.644	50	20	DDGD	
COC(=O)N1CCC(C(=O)NNC(=O)Nc2ccccc2)CC1	854376736	JYBNDPVJACPQSP-UHFFFAOYSA-N	320.349	1.318	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1ccc(OCCC)cc1	921022010	VJNXRDOWKVQWGO-UHFFFAOYSA-N	315.395	1.378	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)C1CC(OC)C1	858222984	MNMMRSXESIKSKM-UHFFFAOYSA-N	312.753	1.535	50	20	DDGD	
CNC(=S)N(C)NC(=O)Cc1nc(-c2cccs2)oc1C	854926990	SDVXVTDBLAKEKB-UHFFFAOYSA-N	324.431	1.721	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NC[C@H](C)C1CC1	920054718	UIXBSLPWUHIDRA-QWRGUYRKSA-N	323.368	1.970	50	20	DDGD	
CC(C)Cc1ncc(C(=O)NNC(=O)c2cccnc2)s1	929166532	YEKGANLPPQSYEB-UHFFFAOYSA-N	304.375	1.811	50	20	DDGD	
CCNC(=O)NN=C(C)c1ccc(N2CCOCC2)c(F)c1	920826975	CVEKEZRTEWPIQV-UHFFFAOYSA-N	308.357	1.705	50	20	DDGD	
COC1(C(C)=NNC(=O)COc2ccccc2C#N)CCC1	853271808	KHZZFNYSKGJCAF-UHFFFAOYSA-N	301.346	1.998	50	20	DDGD	
C[C@@H](CCO)C1(CNC(=O)NNC(=O)C2CCCC2)CCC1	753175471	LEEBYZZWUZIQTB-LBPRGKRZSA-N	311.426	1.696	50	20	DDGD	
COC[C@](C)(NC(=O)NNc1ncncc1F)C(F)(F)F	932332216	WJIVNTANOAMUJX-VIFPVBQESA-N	311.239	1.209	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	755049930	SGXVBZNSANETKI-RISCZKNCSA-N	322.405	1.891	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](COC)c1cccc(OC)c1	855526763	VBGAHWYJZWHDJH-VOMSXAGXSA-N	304.346	1.943	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cccc2c1OCC2	935803484	ZVQLCZILUDXUFJ-UHFFFAOYSA-N	303.240	1.128	50	20	DDGD	
COc1cccn2ncc(C(=O)NNC(=O)NC3CCCC3)c12	930963924	BAZMYZQPRGYWBV-UHFFFAOYSA-N	317.349	1.230	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C2CCCc3ccc(Cl)cc32)N1	863147955	PRBZUMIYVAZQNV-CYBMUJFWSA-N	305.765	1.775	50	20	DDGD	
CC(C)C(CNC(=O)c1ccc([N+](=O)[O-])cc1)=NN(C)C(N)=O	767905182	XGCPLTHLJOYZOQ-UHFFFAOYSA-N	321.337	1.347	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H](C)Cc2ccc(F)cc2)n[nH]1	869012141	HROZCRZTKWAGRB-JTQLQIEISA-N	318.352	1.426	50	20	DDGD	
CC(=O)N1CC[C@@](C)(C(=O)NNc2nc3ccccc3[nH]2)C1	768494602	FLSOBGFWLNCADC-OAHLLOKOSA-N	301.350	1.265	50	20	DDGD	
CCc1cc(CNC(=O)NNc2ncnc3ccsc23)n[nH]1	765795857	DUMRZXJWSPBRHF-UHFFFAOYSA-N	317.378	1.803	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cnn3ccc(C)cc23)n1	766853291	IGURGWMGZVOIBW-UHFFFAOYSA-N	312.333	1.507	50	20	DDGD	
COc1cc(C#N)ccc1NC(=O)NNC(=O)c1cc(C)[nH]n1	766247839	FIADKXVGQDZMKR-UHFFFAOYSA-N	314.305	1.065	50	20	DDGD	
CCOC(=O)CCS[C@@H](C)C(=O)NNC(=O)CC(C)C	865377890	BYDTVSJDZIYFQP-JTQLQIEISA-N	304.412	1.255	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNCC(F)(F)C(F)(F)F	863090295	GYTWJCSQVBORPT-UHFFFAOYSA-N	323.221	1.755	50	20	DDGD	
C[C@@H](C[S@](C)=O)N(C)S(=O)(=O)CC(C)(C)CCl	867095614	UVOIFDDEMHOXFJ-FVMDXXJSSA-N	303.877	1.280	50	20	DDGD	
CCc1cccc(CC)c1S(=O)(=O)N1CC[C@H](B(O)O)C1	864230602	AXEXOXACNFNCHA-ZDUSSCGKSA-N	311.212	1.049	50	20	DDGD	
CCN1C[C@@H](C(=O)N(C)NC(=O)OCc2ccccc2)CC1=O	862286977	LKUPOYGKIUTLNI-ZDUSSCGKSA-N	319.361	1.155	50	20	DDGD	
O=C(CC(F)(F)C(F)(F)F)NNC(=S)NCC1CCC1	869217347	VLTORRVDDAHIEX-UHFFFAOYSA-N	319.299	1.870	50	20	DDGD	
COc1nccnc1NNC(=O)CSCc1c(C)noc1C	764485987	XPVAEERRDSOHDV-UHFFFAOYSA-N	323.378	1.467	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccnn1CC1CCC1	864593624	DDFWIYUVDTYCIN-UHFFFAOYSA-N	301.350	1.097	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1cccc2ccsc12	763831105	CWMKLVGBZIOCAU-UHFFFAOYSA-N	305.359	1.643	50	20	DDGD	
Cc1[nH]c2ccc(Cl)cc2c1C=NNC(=O)[C@@H]1CCC(=O)N1	863147371	DRQUANHVWSJFCJ-ZDUSSCGKSA-N	318.764	1.858	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccnc1)C1CCCCC1	763191841	BGPYCGTTZWQGEE-UHFFFAOYSA-N	302.378	1.884	50	20	DDGD	
CC[C@H](OC1CCCCC1)C(=O)NNc1nnc(C)c(O)n1	761019869	DRVCBWIDBAMJOF-NSHDSACASA-N	309.370	1.457	50	20	DDGD	
CCN(CC)C(=O)CNC(=O)NNc1ncnc2ccsc12	765695671	HPDMNASYSBTOFT-UHFFFAOYSA-N	322.394	1.186	50	20	DDGD	
CCO[C@H](CC(=O)NNC(=S)Nc1ccccn1)C(C)C	768578051	LMUBOMZJLMRKJT-LLVKDONJSA-N	310.423	1.850	50	20	DDGD	
O=C1C[C@@H](CNC(=O)NNc2cccc(F)c2Cl)CN1	875664585	BRDYEFJMHZIDGX-SSDOTTSWSA-N	300.721	1.241	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(OC)c(Cl)c(OC)c1	879877145	OOXATQQXTPGEKY-UHFFFAOYSA-N	317.773	1.972	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNc1cnnc2ccccc12)C(C)C	878848751	BTMQSAGNIQIKPH-CQSZACIVSA-N	316.361	1.908	50	20	DDGD	
Cn1ccc(NC(=O)NC[C@@]2(C)C[C@@H]2Br)cc1=O	879784562	OISOPUMTKWEIQZ-JOYOIKCWSA-N	314.183	1.680	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H]1c1sccc1C	772216257	XHSHPGUWRGFQQM-HBNTYKKESA-N	324.402	1.649	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@@H](C)[C@H]1CN(C)CCO1	771340123	GLXBABMDPLAANC-WCQYABFASA-N	310.373	1.479	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)C(=O)NNc1ccc(C(C)(C)C)nn1	1117939515	VLMBVTIMLBEEJZ-LLVKDONJSA-N	316.409	1.830	50	20	DDGD	
CCN(Cc1ccccc1NC(=O)NN(C)CCOC)C(C)=O	878217516	MJKIGBZXKWGXAD-UHFFFAOYSA-N	322.409	1.670	50	20	DDGD	
CCCCn1cc(S(=O)(=O)NNC(=O)C(C)(C)C)c(C)n1	872340278	SOSFLKCLPVGFAN-UHFFFAOYSA-N	316.427	1.347	50	20	DDGD	
COCCOCC(=O)NN=Cc1cc(OC)cc2c1O[C@@H](C)C2	872401177	JSDPIASACZLGBP-NSHDSACASA-N	322.361	1.132	50	20	DDGD	
O=C(CO[C@H]1CCOC1)NNc1ccc([N+](=O)[O-])cc1Cl	1116344492	YAFCCFQRFZQICX-VIFPVBQESA-N	315.713	1.497	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1C	772049020	QPBPMZSRFPJBLV-SECBINFHSA-N	323.305	1.006	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(C)cnc1Br	879620484	OBTJGRQPXDSFEA-UHFFFAOYSA-N	317.187	1.767	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H](OC)C(C)C)cn1	874954364	SLTHAIHJFSZJMD-NSHDSACASA-N	312.395	1.079	50	20	DDGD	
O=C(CO)NN=C1CCN(Cc2c(F)cccc2Cl)CC1	776777382	YMLOLERHJYRION-UHFFFAOYSA-N	313.760	1.539	50	20	DDGD	
CN(C)c1cnc(C(=O)NNc2cccc3cnccc23)cn1	779674140	DQKSCNVAATWDQQ-UHFFFAOYSA-N	308.345	1.848	50	20	DDGD	
CSSCCNc1ccnc(C(=O)N2CCOCC2)c1	882327004	VGCNYNCZZBRAEB-UHFFFAOYSA-N	313.448	1.977	50	20	DDGD	
CC[C@@H](C)n1nc(C(=O)NNC(=O)NCc2ccco2)cc1C	778245067	IJNPIABQERXRPA-SNVBAGLBSA-N	319.365	1.900	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C[C@@H]1CCCCO1	772188346	ZHZQOWSGPJSEMA-RYUDHWBXSA-N	314.382	1.071	50	20	DDGD	
COC(=O)c1cncc(C(=O)NNc2cccc([N+](=O)[O-])c2)c1	774341613	VGYDDNGPHCHLDS-UHFFFAOYSA-N	316.273	1.533	50	20	DDGD	
Cc1cccc([C@H](C)CNC(=O)NNC(=O)c2cccnn2)c1	883449576	YSPWFSBRFTYFFE-GFCCVEGCSA-N	313.361	1.533	50	20	DDGD	
C[C@H](Oc1ccc(OS(=O)(=O)CCCCl)cc1)C(N)=O	881935989	VAMJWVPJPOMWGF-VIFPVBQESA-N	321.782	1.277	50	20	DDGD	
COc1ccc([C@@H](O)CNS(=O)(=O)CCCCl)cc1	881914608	QPJNEXAIOVGWCB-LBPRGKRZSA-N	307.799	1.277	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(-c2cccc(C#N)c2)no1	789910753	XESRMWNFXHPGMJ-UHFFFAOYSA-N	313.317	1.567	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C1CCOCC1)N1CCc2ccccc21	883061988	NRAMOBZNZUCWIQ-GFCCVEGCSA-N	317.389	1.012	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@H](C(=O)NNc2cc(F)c(F)cc2F)C1	787134741	ZRHGFVVONAJZQE-SFYZADRCSA-N	315.295	1.839	50	20	DDGD	
CCOc1cc(C)ccc1NC(=O)C(=O)NNc1cccnn1	784857985	CFUYHSPJHFYRTO-UHFFFAOYSA-N	315.333	1.266	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)COc2cccc(C)c2)cn1	788261895	FTWWAABIDVDGRZ-UHFFFAOYSA-N	314.345	1.272	50	20	DDGD	
C#CCCCCCC(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1	780324602	RMGXGKJWYXNPHM-GASCZTMLSA-N	323.437	1.217	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccnn1CC(F)F	789938687	AADCAZNAVBSIII-UHFFFAOYSA-N	324.287	1.232	50	20	DDGD	
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)[C@]1(C)CCCO1	782237662	AIDPKYKBZXTQLA-AWEZNQCLSA-N	307.306	1.975	50	20	DDGD	
O=C(CC1CCC2(CC1)OCCO2)NNC(=O)CC(F)(F)F	788090836	UZYFUMZTJMDMEU-UHFFFAOYSA-N	324.299	1.410	50	20	DDGD	
COc1cccc(NNC(=O)c2csc(NC(C)=O)n2)n1	780767897	BWZXMGKTPHXMFB-UHFFFAOYSA-N	307.335	1.262	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1ccccc1O[C@H](C)C(=O)OC	899368777	MLGFSPKDVBDIOU-NASPGAHYSA-N	323.370	1.926	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)CNc1cccc(OC)c1	794906066	HTNWVZCEDNTJQK-XHDPSFHLSA-N	323.393	1.316	50	20	DDGD	
O=C(NN=CCc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1	794887695	BAJQOZOBOSENKL-NSHDSACASA-N	314.794	1.419	50	20	DDGD	
CCOc1ccc(CC(=O)NNC(=O)c2cccc(C)n2)cc1	794084263	QAPKJKQENBXOGI-UHFFFAOYSA-N	313.357	1.792	50	20	DDGD	
COc1ccc(CCNC(=O)/C(C#N)=C/c2ncnn2C)cc1	899345980	ZFWCZBPTCYLIER-UKTHLTGXSA-N	311.345	1.090	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)Cc1ccc2c[nH]nc2c1	793328083	LCZTYTWNYXNOOY-UHFFFAOYSA-N	322.368	1.886	50	20	DDGD	
CCOC(=O)c1nn(C)cc1/C=C(/C#N)C(=O)C1CCOCC1	792904369	FUKWGGPLLUEDOY-WQLSENKSSA-N	317.345	1.499	50	20	DDGD	
CCc1ccccc1NC(=O)CN(C)S(=O)(=O)CCl	104329313	KYINEKPPZHVFKP-UHFFFAOYSA-N	304.799	1.645	50	20	DDGD	
N#C/C(=C\c1cc(Cl)c2c(c1)OCCCO2)S(N)(=O)=O	799894397	UBDOKLTYLQPAKR-RUDMXATFSA-N	314.750	1.654	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cnc2ccccc2n1	798313689	MPPANDSYWULIHU-UHFFFAOYSA-N	313.239	1.136	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cn(C(C)(C)C)nn2)n1	792346628	PFJWGPHXLPQNTP-UHFFFAOYSA-N	309.761	1.542	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1c(O)cccc1Cl	791258411	WAMSJAUPJYBXOX-UHFFFAOYSA-N	303.709	1.845	50	20	DDGD	
CC[C@@H](C)n1nc(C(=O)NNC(=O)NCC(F)(F)F)cc1C	798315328	FOOTUODTCKPWRB-SSDOTTSWSA-N	321.303	1.669	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)N2CCN(C)CC2)c(O)c1	790181593	NUHZOMOFDCNKFO-UHFFFAOYSA-N	306.366	1.082	50	20	DDGD	
CC[C@H](C)n1ncc(NC(=O)C(=O)NNC(=O)CC(C)C)c1C	792269347	QUSWFBCGWDIBCP-JTQLQIEISA-N	323.397	1.295	50	20	DDGD	
N#Cc1ccc(C[C@@H](C#N)C(=O)NNC(=O)C2CCCC2)cc1	791506222	BCJCTLQCYFGHDB-HNNXBMFYSA-N	310.357	1.578	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1cc(C)c(C)o1	799873059	KEMCGFSPEDDBJY-LBPRGKRZSA-N	307.394	1.705	50	20	DDGD	
C=C[C@H](NNC(=O)[C@H](C)Oc1cccc(C)c1C)C(=O)OC	799975658	MMCLEQXVKJEAJD-STQMWFEESA-N	306.362	1.419	50	20	DDGD	
CN1CCN(C(=O)NN=CCCc2ccc3c(c2)CCO3)CC1	790180662	CZUBFJWDGBYGTJ-UHFFFAOYSA-N	316.405	1.497	50	20	DDGD	
Cc1c[nH]nc1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	799408602	YQWBVELNXYQAOF-UHFFFAOYSA-N	302.378	1.696	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1cn2c(n1)CCCC2	799839458	ZZGYPYSSDHWDPJ-UHFFFAOYSA-N	302.294	1.280	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cnc(-c3ccccc3)[nH]2)n1	794075673	ABIWMYWCVDYBHZ-UHFFFAOYSA-N	321.340	1.855	50	20	DDGD	
O=C1CCCN1[C@H]1CCCN(S(=O)(=O)CCCCCl)C1	780778193	VZJZCQCBPOKLMC-LBPRGKRZSA-N	322.858	1.422	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1	1319447278	KOOZVFYCDCLNKC-XSXPHNMFSA-N	315.373	1.684	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)c2n[nH]c3c2CCCC3)[C@H]1OC	1326101016	LSCRXFMYMYRTJY-TZMCWYRMSA-N	306.366	1.198	50	20	DDGD	
CCc1cc(C(=O)NNc2ncnc3ccsc23)nn1C	1320840113	PMYYXAKUUMKUTM-UHFFFAOYSA-N	302.363	1.744	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cnc(C3CC3)[nH]2)cc1	1321788444	JHWPYWPJFDTLCT-UHFFFAOYSA-N	315.333	1.762	50	20	DDGD	
O=C(CNS(=O)(=O)c1ccccc1)NNc1cccc(F)c1	1323917542	ASPNZXSCDNRKGR-UHFFFAOYSA-N	323.349	1.247	50	20	DDGD	
CCOC(C)(C)CNC(=O)NNc1nncc(N)c1Cl	1321555011	LELLPCFXDHPSAW-UHFFFAOYSA-N	302.766	1.153	50	20	DDGD	
CC(C)(C)OC(=O)C(=O)NNc1cncc(Br)c1	1337988545	QKKDTDMWNKZDCO-UHFFFAOYSA-N	316.155	1.629	50	20	DDGD	
COCCN(C)c1ccc(C=NNC(=O)C2CCOCC2)cn1	1331993346	DGKIBIIJUXDOJQ-UHFFFAOYSA-N	320.393	1.041	50	20	DDGD	
Cc1csc(C(=O)NNc2nc(-c3cccnc3)no2)n1	1339973476	QZINWVARKWKPTC-UHFFFAOYSA-N	302.319	1.653	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccccc1OCC1CC1	1261964433	MOIXATROWPUYLJ-UHFFFAOYSA-N	307.350	1.888	50	20	DDGD	
C[C@]1(CNC(=O)N2C[C@@H]3CCNC[C@@H]3C2)C[C@@H]1Br	1336909087	XBNKYRIRSCYMPE-SRRSOLGSSA-N	316.243	1.411	50	20	DDGD	
CN(NC(=O)c1c[nH]cc(Cl)c1=O)C(=O)OC(C)(C)C	1345050158	APVZCEHVEJQDGJ-UHFFFAOYSA-N	301.730	1.540	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C[C@@H]2CCC(=O)[C@@H]2C)cc1	1344414535	AGRKQTAISKYLEU-PWSUYJOCSA-N	304.346	1.462	50	20	DDGD	
C[C@]1(C(=O)N2CCCN3CCC[C@H]3C2)C[C@H]1Br	1353989314	JOMFSSYZWVUQPB-LOWVWBTDSA-N	301.228	1.857	50	20	DDGD	
COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)c1cccc(CCl)c1	1353643745	CBSFXTWCYNLITF-QWHCGFSZSA-N	311.765	1.564	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CC2(CN(C(=O)OC(C)(C)C)C2)C1	1353355475	BDVGJSXUACZZSR-GHXNOFRVSA-N	321.377	1.510	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2c(C)coc2CC(=O)O)c(C)o1	1600095361	IMAKKSDWFRYVJG-UHFFFAOYSA-N	320.301	1.500	50	20	DDGD	
CCN(CC)C(=O)/C(C#N)=C\c1cc(-c2nn[nH]n2)n(C)c1C	1604276380	BKPXKFPHXGIANJ-GHXNOFRVSA-N	313.365	1.289	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1	1601092046	KYLVLCMRHYRNNY-QWHCGFSZSA-N	315.329	1.210	50	20	DDGD	
Cc1cc(C2(C(=O)NNc3ccccc3C(=O)O)CC2)on1	1607634231	LXRNCYYROQOEEY-UHFFFAOYSA-N	301.302	1.856	50	20	DDGD	
Cc1sc(C(=O)O)cc1NC(=O)NNc1ncc(F)cn1	1608063488	WRPFYNOVJLMADJ-UHFFFAOYSA-N	311.298	1.832	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(C(=O)O)oc2C)c(C)o1	1607580497	PIKZWRKMHNSOBU-UHFFFAOYSA-N	306.274	1.571	50	20	DDGD	
CC(C)[C@@H](C(=O)O)C(=O)NNc1cccc2c1OC(F)(F)O2	1602969586	BIVLMQMECBEGEO-SECBINFHSA-N	316.260	1.808	50	20	DDGD	
Cc1cc(C)n([C@@H](C)C(=O)NNc2cccc(C(=O)O)c2)n1	1600178624	ZMTCAQXVCKDISY-NSHDSACASA-N	302.334	1.902	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cc(C(=O)O)n(C)c2)o1	1600341380	ZKSSAVLHZYUCAA-UHFFFAOYSA-N	306.278	1.091	50	20	DDGD	
CC[C@H](C)[C@H](NNC(=O)COc1ccccc1OC)C(=O)O	1604943586	GSYGXOHBEHDFIQ-HZMBPMFUSA-N	310.350	1.194	50	20	DDGD	
Cn1c(C(=O)NNc2ccc(F)c(C(=O)O)c2)cnc1Cl	1608079258	MSGRMZUYFQZHTL-UHFFFAOYSA-N	312.688	1.668	50	20	DDGD	
C[C@@]1(C(=O)NN=Cc2ccc(-c3nn[nH]n3)c(F)c2)CCCO1	1603748690	UXSGLISXNDNAON-AWEZNQCLSA-N	318.312	1.025	50	20	DDGD	
O=C(NNc1cc(F)cc(Cl)c1)c1cc(-c2nn[nH]n2)c[nH]1	1606853456	JZAAPGIAGQIOPR-UHFFFAOYSA-N	321.703	1.744	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(C(=O)O)c1F)c1cnn(C)c1	1603173508	NWOOABYTYQKQTL-QMMMGPOBSA-N	306.297	1.504	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1ccc2nc(O)[nH]c2c1	1601561071	NFVKSDPEUKGTND-UHFFFAOYSA-N	312.285	1.724	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@@H]1CCn2ccnc2C1	1602231265	VAVKUNBMEZQBFV-SECBINFHSA-N	318.308	1.426	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1cccc(C#N)n1	1610287405	IQMJJGBTUJUFIU-UHFFFAOYSA-N	312.285	1.417	50	20	DDGD	
Cn1cc(CCNC(=O)NNc2ccc(C(=O)O)cc2F)cn1	1610603246	FBBTUMKVSQMMOP-UHFFFAOYSA-N	321.312	1.126	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@H](O)C1CCCCC1	1610285816	MIPFABGGIIORKV-CQSZACIVSA-N	322.361	1.778	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CCCS2)ccc1C(=O)O	1610473283	BFOILVVCFAPWLV-NSHDSACASA-N	323.374	1.742	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2CCCc3n[nH]cc32)cc1F	1610835570	ORYKLKYTXHPUCT-VIFPVBQESA-N	318.308	1.810	50	20	DDGD	
O=C(NN=Cc1cc2ccccc2[nH]1)[C@@H]1CN2CCC[C@H]2CO1	1549319733	JGMXWKDLGXNSCP-HOCLYGCPSA-N	312.373	1.481	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@H](N)CC(C)C	1579156057	ZXEHRXZQNPWWPX-LLVKDONJSA-N	313.785	1.483	50	20	DDGD	
CC1(C)CN[C@@H]1C(=O)NNC(=O)Cc1ccc2ccccc2c1	1573614428	KFOXLQFFZCYVMM-MRXNPFEDSA-N	311.385	1.528	50	20	DDGD	
CC(=NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)c1cncc(C(=O)O)c1	1589010785	IGIRXIJRTZYEGV-FRRDWIJNSA-N	303.318	1.188	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)C(=O)C2CC2)C1	1841306282	XKHHTSXFPYSJPA-LLVKDONJSA-N	312.797	1.186	50	20	DDGD	
C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1841608748	MATMCBMQFKPEPY-QWRGUYRKSA-N	318.776	1.315	50	20	DDGD	
Cc1cc(C(=O)N2CCCC23CN(C(=O)[C@H](F)Cl)C3)on1	1842460491	FCEGXDKGXXBDJT-JTQLQIEISA-N	315.732	1.334	50	20	DDGD	
COC[C@@]1(C(=O)O)CCN(C[C@H](CBr)C2CC2)C1	1593966203	CRUICEDPTKVYID-WCQYABFASA-N	320.227	1.831	50	20	DDGD	
CC(C)NC(=O)/C(C#N)=C\c1ccccc1O[C@H](C)C(=O)O	1591635599	PHLIDONOXGLATJ-JYVXZMADSA-N	302.330	1.970	50	20	DDGD	
O=C(/C=C\c1nccs1)NNc1cccc(-c2nn[nH]n2)c1	1592803944	RJFXPUBHUUSQFW-PLNGDYQASA-N	313.346	1.480	50	20	DDGD	
CCC[C@@H]1C[C@H](C(=O)NNc2ccc(C(=O)O)cn2)CCO1	1595620163	YDJMOYIKNNRCQY-ZYHUDNBSSA-N	307.350	1.818	50	20	DDGD	
CCc1c(C(=O)NNc2ccc(C(=O)O)cc2F)cnn1C	1597410756	IFPIMNPMTBTBGX-UHFFFAOYSA-N	306.297	1.577	50	20	DDGD	
CN(NC(=O)c1csc(-c2nn[nH]n2)c1)c1ccccc1	1591154540	XCMYSNZGQNTVGL-UHFFFAOYSA-N	300.347	1.709	50	20	DDGD	
CC(C)(C)[C@@H]1OCC[C@H]1C(=O)NN=Cc1cc(C(=O)O)co1	1776107185	NYOCZRQNEFPREW-VXGBXAGGSA-N	308.334	1.879	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1cc(Cl)ncc1C(=O)O	1776077905	KXWWXFYESQJOAF-UHFFFAOYSA-N	319.708	1.406	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2cccc(O)c2O)cc1	1776099309	ZUIMYRGVKZPCGH-UHFFFAOYSA-N	300.270	1.560	50	20	DDGD	
CC(C)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl	1796362567	GAJLJEFRDCYZKH-LFSVMHDDSA-N	320.792	1.157	50	20	DDGD	
CC(C)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2	1795477478	CBWKCLXDOOOKLX-YVECIDJPSA-N	316.829	1.270	50	20	DDGD	
N#C/C(C(=O)Cn1cnc(C#N)n1)=C1/Nc2ccccc2S1	14143167	RRICFRYVPGXSOX-NTEUORMPSA-N	308.326	1.672	50	20	DDGD	
O=C(C[C@@H]1CSCCS1)NNc1ccc(Cl)nn1	162277186	CZCQOVBPQRGXAJ-SSDOTTSWSA-N	304.828	1.812	50	20	DDGD	
CN(C)c1cccc(NC(=O)NNC(=O)c2cccnc2)n1	152567815	XSNNITNNBDSMEQ-UHFFFAOYSA-N	300.322	1.009	50	20	DDGD	
COc1cc(C(=O)NNC(=O)NCC(F)(F)F)ccc1F	156120948	VODVYXGWSZMDQS-UHFFFAOYSA-N	309.219	1.341	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](C)OCC2CC2)c([N+](=O)[O-])c1	155254902	DCVDFLLCBUOPAG-SECBINFHSA-N	309.322	1.862	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)Nc2ccc(F)c(F)c2)n1	156255428	VSFUXOHGELTJJF-UHFFFAOYSA-N	321.287	1.453	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ccc(C(N)=O)nn1)c1ccccc1	154382599	RDVOPILQOIVLBV-CQSZACIVSA-N	313.361	1.458	50	20	DDGD	
CCc1nn(C)c(OC)c1CNS(=O)(=O)CCCCCl	154981789	DZFUJIVWMOZIQO-UHFFFAOYSA-N	323.846	1.430	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1	159009497	URFHUZXEIXGIHN-UROBUVALSA-N	305.378	1.195	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc(C)c([N+](=O)[O-])c1	207880285	CDWNEQJRJIBTOL-JYRVWZFOSA-N	303.318	1.963	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(C)(C)NC(=O)OC(C)(C)C	67126145	MAMWRUBXJYFITR-UHFFFAOYSA-N	317.386	1.846	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNC(=O)c1cccc(OC(F)F)c1	103040967	LCFMZMUGADOBIT-NSHDSACASA-N	316.304	1.864	50	20	DDGD	
O=C(NCc1cc2ccccc2[nH]1)NNC(=O)[C@@H]1CCCO1	57645188	ODQNWFYYRCQULF-ZDUSSCGKSA-N	302.334	1.177	50	20	DDGD	
Cc1nn(C)c(C)c1CCC(=O)NNC(=O)c1ccccc1F	53954224	TXVCKCAWJHQNRZ-UHFFFAOYSA-N	318.352	1.570	50	20	DDGD	
C#CCSCCNC(=O)NNC(=O)c1cc2ccccc2o1	176299655	HBOKNJWLBWVRQY-UHFFFAOYSA-N	317.370	1.743	50	20	DDGD	
O=C(CCN1CCCC1=O)NNc1ccc(F)c(F)c1F	103274418	MXPHCSXTLBLNKA-UHFFFAOYSA-N	301.268	1.560	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)COCCc1ccccc1	58783581	SZWFSOMQQYKRKJ-UHFFFAOYSA-N	301.346	1.045	50	20	DDGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCN2C(=O)NC[C@@H]2C1	175935031	PHXWPEKUZZUUAT-QVXXFUFASA-N	313.317	1.169	50	20	DDGD	
CSC[C@H](C)C(=O)NNC(=O)c1cc(Br)c[nH]1	66819601	BAXLIYPGDFEJMH-LURJTMIESA-N	320.212	1.537	50	20	DDGD	
Cc1ccc(OCCCC(=O)NNc2nnc(C)c(O)n2)cc1	23310294	YTLSBJRZSXEBKW-UHFFFAOYSA-N	317.349	1.496	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN(C)[C@@H](C)C2(C)CC2)n1	177251923	PBIKIIGKQRCARI-NSHDSACASA-N	324.450	1.262	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCCc1cccc(C(=O)NC)c1	172589265	AAEOFSYXVGMODU-SDNWHVSQSA-N	301.346	1.149	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnn(-c2ccc(F)cc2)c1CC	65190001	PEJVOWJLOUFCFV-UHFFFAOYSA-N	319.340	1.538	50	20	DDGD	
O=C(COc1ccc(F)cc1F)NNC(=O)Cc1cccnc1	171511029	NKIFVSCHLHRHMP-UHFFFAOYSA-N	321.283	1.129	50	20	DDGD	
COC(=O)C[C@@H](C)NS(=O)(=O)c1ccc(CCl)cc1	302594218	UZKUKRRADRNZPW-SECBINFHSA-N	305.783	1.655	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O	178966316	UFSIIRGCSYLBKY-OCHBPSSRSA-N	317.320	1.491	50	20	DDGD	
COCCCOc1ccc(C(=O)NNc2ncccn2)cc1	175348869	XOFVCSQMOUAZLR-UHFFFAOYSA-N	302.334	1.649	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc2ccccc2c1O	117973389	MUBOZTCAZCGUDU-UHFFFAOYSA-N	310.313	1.652	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)/C=C/c1ccc(Cl)cc1	61544196	OESGFFIDSYZXRL-VMPITWQZSA-N	309.753	1.025	50	20	DDGD	
NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCC(Cl)CC1	1348580012	HEVMLOOEBAYFFM-RUXDESIVSA-N	308.809	1.997	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)c2cccc(F)c2)C[C@H](C)O1	68195026	AGIGTQXQGWSUFE-RYUDHWBXSA-N	323.368	1.086	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1Cc2cccc(Cl)c2C1	1341397791	SPJLQZYBPWCUNJ-MWLCHTKSSA-N	323.780	1.821	50	20	DDGD	
C#CCCCCC(=O)NNC(=O)c1cc(Br)c[nH]1	179655615	KNGQMVFGYBWPEE-UHFFFAOYSA-N	312.167	1.732	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)co1	189111736	XTBZCTDBRSISDV-UHFFFAOYSA-N	315.329	1.605	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)c2cccc(N(C)C)c2)c(C)n1	182345008	WRECUHTWJGBAOD-UHFFFAOYSA-N	313.361	1.234	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2ccc(F)c(C)c2)n1	181518985	HMKGBTJOUYOLBA-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NNc1ccncc1	183018224	KFBXDFYGNZEIGX-CYBMUJFWSA-N	304.394	1.952	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)CCC1CCCCC1	77163946	FWEPEBJHERHGMI-UHFFFAOYSA-N	311.426	1.799	50	20	DDGD	
COc1cc(CNS(=O)(=O)CCl)cc(OC)c1OC	36383050	ZGGCBKITFDAQGV-UHFFFAOYSA-N	309.771	1.328	50	20	DDGD	
CNC[C@H](C)CNS(=O)(=O)c1ccc(CCCCl)cc1	124081794	HKBLWXVYLXQOPE-LBPRGKRZSA-N	318.870	1.992	50	20	DDGD	
Cn1cc(CCC(=O)NNC(=O)[C@@H]2CCCO2)c2ccccc21	120244735	GMUGXISLOROAFM-HNNXBMFYSA-N	315.373	1.437	50	20	DDGD	
C[C@@H]1COCCN1S(=O)(=O)c1ccc(CCCl)cc1	36900512	ARZOGNAJBAUJDY-LLVKDONJSA-N	303.811	1.877	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)C1(C#N)CCCC1	32423387	NXNLLWQBAJMZKM-UHFFFAOYSA-N	311.345	1.488	50	20	DDGD	
COc1cccc(NNC(=O)NCCOCc2ccccc2)n1	181374587	RALSCNKSBCANBP-UHFFFAOYSA-N	316.361	1.933	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1n[nH]c2ccccc12	73140331	RBEDQSMXKSAQMS-UHFFFAOYSA-N	309.329	1.436	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)CCc2ccco2)cc1	49984319	CELDZRSNWLQHJW-UHFFFAOYSA-N	313.313	1.310	50	20	DDGD	
O=C(CC[C@H]1CCCO1)NNc1nc2ccccc2c(=O)[nH]1	137192620	LSNMYKMZNZFPII-SNVBAGLBSA-N	302.334	1.325	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	131885261	HJOJNBPQEZPMIZ-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(OCCC)c(OC)c1	43466465	ZVHTYJJIAZWCPG-UHFFFAOYSA-N	309.366	1.838	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C[C@@H]2CCCO2)c1C	46765040	BSMHVLFNCUAXAM-KBPBESRZSA-N	320.389	1.787	50	20	DDGD	
Cc1cncc(C(=O)NNC(=O)Cn2ccc3ccccc32)c1	80071639	YOPOSZVTFLJDKN-UHFFFAOYSA-N	308.341	1.806	50	20	DDGD	
CNc1snc(C)c1C(=O)NNc1nc2ccccn2n1	191889215	ZELAWAZDNHOCOZ-UHFFFAOYSA-N	303.351	1.293	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCCOCC(F)F	191593733	GTDLEEHHKPXZOI-UHFFFAOYSA-N	315.320	1.231	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)OC[C@@H]2CCCCO2)o1	84380425	FJCYSINVONCAHO-NEPJUHHUSA-N	310.350	1.323	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)C(=O)NNc1cc(F)c(F)c(F)c1	80100204	KVDBSFGBFIXDSK-LURJTMIESA-N	310.297	1.228	50	20	DDGD	
CC(C)N(C)c1ccc(/C=C(\C#N)S(=O)(=O)N(C)C)cn1	195321975	HEFHWNLQPHRXIF-MDWZMJQESA-N	308.407	1.682	50	20	DDGD	
O=C(C[C@@H]1CCCCO1)NNC(=O)c1ccc2ccccc2n1	86961831	KVEAEZWZQFXDCZ-ZDUSSCGKSA-N	313.357	1.955	50	20	DDGD	
CCC(CC)N1C[C@H](C(=O)NNC(=O)c2ccccc2)CC1=O	192498595	TUJPQVPDXPPSMQ-CYBMUJFWSA-N	317.389	1.485	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](C)N(C)CC(F)(F)F)n1	193418703	XLMUNJUCFPHODZ-MRVPVSSYSA-N	321.303	1.119	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2cccc(OCC#N)c2)o1	89775332	IUFBLZAXOAUKDK-UHFFFAOYSA-N	313.313	1.494	50	20	DDGD	
Cc1ccnc(NNC(=O)COCCOc2ccccc2)c1	88423722	IGHRXLAAJYCRMW-UHFFFAOYSA-N	301.346	1.929	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NC[C@@H]1CCCCO1	140080230	LLSTVOBTFUMCCO-LBPRGKRZSA-N	306.366	1.900	50	20	DDGD	
C[C@@H]1CCC[C@@H](CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)C1	249751086	AZCLSEOCSHUMRW-BZPMIXESSA-N	317.455	1.194	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCC1(N2CCOCC2)CCCCC1	255146144	PWIMUBYIEQHOHB-SQFISAMPSA-N	321.421	1.582	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)N(C)C)c1ccccc1OC(F)F	255443001	JYYVEORHVDTFLJ-HJWRWDBZSA-N	313.304	1.994	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1nc(-c2cccnc2)no1)N(C)C	269184494	CNXSKTMPRAFALI-NSHDSACASA-N	304.354	1.161	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1	265400118	QFFZEWCKQAQFJQ-LLVKDONJSA-N	322.365	1.472	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)CCCc1ccccc1)[C@H]1CCOC1	266794097	SVWRVGSOCWQWSY-ZFWWWQNUSA-N	319.405	1.765	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)NC2CCCC2)cc1C	269050201	JSSLKXXYJHURTR-UHFFFAOYSA-N	321.377	1.655	50	20	DDGD	
NCCCCCCC(=O)NNc1nc(-c2ccncc2)no1	269234276	FUGMSNNOKKWBOA-UHFFFAOYSA-N	304.354	1.484	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)Cn2cnc3ccccc32)O1	268316634	JLMWNACFWLQDHO-BXUZGUMPSA-N	316.361	1.141	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)C1CCC1	271017922	NNTGYGUJTUGULM-NSHDSACASA-N	317.172	1.974	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2cc(C)sn2)nc1C	278380694	JAMSYTBSBATZBZ-UHFFFAOYSA-N	321.362	1.484	50	20	DDGD	
O=C(NNc1ccccn1)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	363927466	XHNGJBATCBRYJS-HZQMYPQZSA-N	301.268	1.881	50	20	DDGD	
CCN1CCOC[C@H]1C(=O)NNc1ccc(C#N)c(Cl)c1	364932590	HIZTYDMSISITOK-ZDUSSCGKSA-N	308.769	1.375	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H](c2ccccc2)OC1=O)C1CCC1	289525530	PPQDNMOJLTUQIT-QWHCGFSZSA-N	302.330	1.238	50	20	DDGD	
COCCN(C)NC(=O)c1ccccc1NC(=O)NC(C)C	288318712	DAMZVIWXAHVJHB-UHFFFAOYSA-N	308.382	1.440	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H](C)Cn1ccc2ccccc21	285040632	PNUALTJQXFZXOG-GFCCVEGCSA-N	316.430	1.959	50	20	DDGD	
C[C@@H]1CC=CC[C@H]1C(=O)NNC(=O)c1ccc2c(c1)OCCO2	284047435	XPNVMSKWTQJUBY-DGCLKSJQSA-N	316.357	1.821	50	20	DDGD	
CC(C)C(C)(C)CNC(=O)NNc1ccc(-n2ccnc2)nn1	287042752	IWMHLBFYAWCTDW-UHFFFAOYSA-N	317.397	1.971	50	20	DDGD	
C[C@H](Sc1ccccc1C(=O)NNC(=O)C(C)(C)C)C(N)=O	282643930	GUTJACIXDVDFSE-VIFPVBQESA-N	323.418	1.460	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(C)n(-c2cc(C)on2)c1C	285767875	ABGSHLYGNDCHSH-UHFFFAOYSA-N	306.322	1.734	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)[C@H]1CCCCO1)c1ccncc1	297180114	JPWIFIRPFUQUPB-QWHCGFSZSA-N	306.366	1.432	50	20	DDGD	
O=C(NNC(=O)N[C@@H]1CCSC1)Nc1cc(F)cc(F)c1	296251650	AJSOSIQUKMPWCP-SECBINFHSA-N	316.333	1.806	50	20	DDGD	
CC[C@@H](C)N[C@H](CNC(=O)NNc1cccnn1)c1ccco1	807443235	GBEQJFVAIUOAJI-VXGBXAGGSA-N	318.381	1.825	50	20	DDGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CC[C@@H](CC(N)=O)C1	808774909	FSJVVYYFLXJQOC-ZDIIIJSNSA-N	300.318	1.657	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CN(C)C(=O)C1CC1	805383406	ZXKZEKRRCKIHQD-UHFFFAOYSA-N	306.322	1.215	50	20	DDGD	
Cc1oc(C)c(C(=O)NNc2ccc(-n3ccnc3)nn2)c1C	804953506	SHLDFMHOFBBNST-UHFFFAOYSA-N	312.333	1.937	50	20	DDGD	
CC(C)C[C@H]1C[C@H](NC(=O)NNc2ncncc2F)CCO1	293075277	QVFUVHIKKJAVPS-MNOVXSKESA-N	311.361	1.836	50	20	DDGD	
O=C(NCc1noc2c1CCCC2)NNC(=O)c1ccc[nH]1	807620103	DLPJUHHYCPGMAQ-UHFFFAOYSA-N	303.322	1.026	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Cc1cncn1C)c1ccccc1	806833874	OBLJNNRCTCQFSW-CQSZACIVSA-N	300.362	1.304	50	20	DDGD	
CC[C@H]1CCC[C@H]1C(=O)NNC(=O)CNC(=O)c1cccs1	294410053	DKMSTDRKPGBRND-WDEREUQCSA-N	323.418	1.452	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCC(C)(C)C1	807370920	YJGIISGXJCSPIO-LLVKDONJSA-N	300.399	1.749	50	20	DDGD	
C[C@@H]1CCCCN1CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	298654353	FXVJKSFXCPYKKL-LLVKDONJSA-N	320.349	1.230	50	20	DDGD	
CCc1nn(C)c(CC)c1CC(=O)NN(C)C(=O)OC(C)(C)C	297180264	JQLAXQLDUIKUDD-UHFFFAOYSA-N	324.425	1.986	50	20	DDGD	
N#C/C=C/CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O	298172529	CWNFWCUHUSPKPD-OWOJBTEDSA-N	313.357	1.826	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)c1ccc2ccccc2n1)OC	290966909	OBMSFCGCIOAKSH-GFCCVEGCSA-N	316.361	1.604	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ccc3oc(O)nc3c2)n1	807207686	BUSJRHLXYAZVJQ-UHFFFAOYSA-N	320.696	1.316	50	20	DDGD	
Cc1ccc(C)n1-c1c(C(=O)NNC(=O)CC2CC2)cnn1C	294068966	GZQATNPVMIEKGG-UHFFFAOYSA-N	315.377	1.389	50	20	DDGD	
CCC1(CC)[C@H](NC(=O)NNc2ncncc2F)C[C@H]1OC	292999670	KYJNRUUSBMMPJN-GHMZBOCLSA-N	311.361	1.836	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)COc1cc(C)cc(C)c1)C1CC1	291946316	CHMNDMQJDAVIQZ-QGZVFWFLSA-N	320.389	1.645	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)N=c1cc[nH]cc1)N1CCCCC1	802029147	HVFXTXPGRDNDAH-AWEZNQCLSA-N	319.409	1.167	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)NCC1=CCCOC1	807594151	FVSKYQBUURKIRO-UHFFFAOYSA-N	323.780	1.560	50	20	DDGD	
CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)NNC(=O)CC1CC1	294018360	BZGOAAOWJBDOCZ-WFASDCNBSA-N	320.393	1.489	50	20	DDGD	
COCCCn1cc(C)c(NC(=O)NNc2cccc(F)n2)n1	297374443	KWGKNAGPTOLWFG-UHFFFAOYSA-N	322.344	1.911	50	20	DDGD	
O=C(CC[C@@H]1CCCO1)NNC(=O)COc1ccc(F)cc1	298317780	UTROOILQXLTWFF-LBPRGKRZSA-N	310.325	1.311	50	20	DDGD	
COCCCn1nccc1C=NNC(=O)c1ccc(Cl)nc1	802709890	KRPFIIYYAQIIRP-UHFFFAOYSA-N	321.768	1.732	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2ncn(C)n2)c1C	810022207	DSMDMPQXQZROJA-UHFFFAOYSA-N	304.379	1.063	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2noc(C)n2)cc1C	812313801	PROSPQOIOZGHPC-UHFFFAOYSA-N	304.306	1.620	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)CNC(=O)C1CCCCC1	816337229	LSQHPBCZJXUFGV-UHFFFAOYSA-N	323.368	1.974	50	20	DDGD	
Cc1cc(C(=O)NNc2ncncc2F)nn1[C@H](C)C1CC1	817082893	PMCRELQDWFWYCU-SECBINFHSA-N	304.329	1.849	50	20	DDGD	
CN(C)c1cc(NC(=O)NNc2cnc3ccccc3n2)ncn1	810220129	PSRQRVDMMJUQJK-UHFFFAOYSA-N	324.348	1.634	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)C[C@@](C)(O)C1CC1	819716124	NBGWSBDTESGUCT-OAHLLOKOSA-N	310.325	1.607	50	20	DDGD	
CN1CCC(CC(=O)NNC(=O)c2cc3ccccc3o2)CC1	813471816	DNWFNFBYUUVHRE-UHFFFAOYSA-N	315.373	1.926	50	20	DDGD	
COC(=O)C(C)(C)CC=NNC(=O)COc1ccccc1F	814723239	XZPOCHRUOWEDRT-UHFFFAOYSA-N	310.325	1.896	50	20	DDGD	
CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NNc1nc[nH]n1	816631480	UCBUKVHLEBQZRL-UHFFFAOYSA-N	322.350	1.970	50	20	DDGD	
CN(C)CC(=O)NN=Cc1cn2ccc(Br)cc2n1	811641319	XFVFRXDMJSTEOY-UHFFFAOYSA-N	324.182	1.109	50	20	DDGD	
C[C@H]1OC(=O)N[C@@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	819747186	MHOVGWMOPKLOOZ-VHWMUFPASA-N	305.121	1.328	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccc(CN2CCCCC2)cc1	816771687	WRCILZRWAYEPAZ-UHFFFAOYSA-N	314.393	1.558	50	20	DDGD	
CCOc1ccc2cc(C(=O)NNc3cnnn3C)[nH]c2c1	816771156	ANHZBLHJDOVIJF-UHFFFAOYSA-N	300.322	1.452	50	20	DDGD	
Cn1nncc1NNC(=O)c1c[nH]nc1-c1ccccc1Cl	816769990	GBXTYAPZFPLGJW-UHFFFAOYSA-N	317.740	1.616	50	20	DDGD	
COc1cnc(C(=O)NNc2oc(C(C)C)nc2C#N)nc1	815148873	OFFGTPKGDFLGFP-UHFFFAOYSA-N	302.294	1.225	50	20	DDGD	
O=C(NNc1ncncc1F)[C@H]1COc2ccc(Cl)cc2C1	817078271	XLAUXPGWQZXMKK-SECBINFHSA-N	322.727	1.964	50	20	DDGD	
CC(C)OC(=O)/C(C#N)=C/c1ccc(-c2nn[nH]n2)cc1F	820138629	ZUIXBAJLOMWUPI-VZUCSPMQSA-N	301.281	1.864	50	20	DDGD	
Cc1cc(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)c(C)o1	826266274	JJRBXQTYDASPLF-UHFFFAOYSA-N	310.317	1.840	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2sccc2-c2nn[nH]n2)c1	826386992	BGCRCYGBBKQVGW-UHFFFAOYSA-N	311.330	1.557	50	20	DDGD	
CS(=O)(=O)CCCCNC(=O)NNc1cccc(F)c1F	824748807	RSMUONRXGXVRKQ-UHFFFAOYSA-N	321.349	1.416	50	20	DDGD	
CCOc1ccc(C(=O)CCC(=O)NN(C)[C@H](C)CO)cc1	823987085	FBZYSJONPYWNKO-GFCCVEGCSA-N	308.378	1.392	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(-c2cccc(OC)c2)[nH]n1	823870079	YBIBSJOENAXIBT-UHFFFAOYSA-N	304.350	1.044	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)O1	825182890	MDALYTPNUNMULZ-RYUDHWBXSA-N	302.338	1.267	50	20	DDGD	
O=C(CCCC(=O)C1CC1)NNC(=O)CCc1ccccc1	822934923	KWTJIKYMRRMNOV-UHFFFAOYSA-N	302.374	1.916	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2occc2C)cc1	825548918	IIQXJHVPMQCJNE-UHFFFAOYSA-N	303.318	1.470	50	20	DDGD	
C[C@@H](NNC(=O)C[C@@H]1C(=O)Nc2c(F)cccc21)C(F)(F)F	826941936	LGDUEHAWIKAXMR-SVRRBLITSA-N	319.258	1.823	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cc(Cl)ncc1F)C1CC1	824446157	HPFKQNOQYMTQBG-LURJTMIESA-N	316.789	1.782	50	20	DDGD	
CCn1nc(C)c(CNC(=O)NNc2cccc(Cl)n2)n1	823765068	UFUHOBDQCPIBGS-UHFFFAOYSA-N	309.761	1.481	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)Nc1cnn(CC2CC2)c1	821480192	AVLWGDFFYZZZBM-UHFFFAOYSA-N	318.312	1.294	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)COc1ccc(C)cc1)C1CC1	822571759	FUHBFAIWGLWJML-AWEZNQCLSA-N	305.378	1.893	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CCc3cc(F)ccc32)nc(N)n1	828376541	PROQNCCNFWWWDE-GFCCVEGCSA-N	301.325	1.679	50	20	DDGD	
CC(=O)N1CCC(NC(=O)/C(C#N)=C/c2ccc(F)cc2)CC1	490838947	BVSMAVHAYBWGGJ-GXDHUFHOSA-N	315.348	1.860	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCN(C(=O)C2CC2)C1	491006579	DTSCFLQQUVNOSS-NTEUORMPSA-N	311.341	1.337	50	20	DDGD	
CCSCCC=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	825674766	RQAXWGGUEGSTGN-UHFFFAOYSA-N	304.379	1.726	50	20	DDGD	
CC(C)C(=O)NNC(=O)CSc1ccc([N+](=O)[O-])cc1F	829449162	OFTTWRPPTXBUOE-UHFFFAOYSA-N	315.326	1.629	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1cncc(F)c1	826951190	ICBRXPPGLDVYEG-SBMIAAHKSA-N	310.329	1.037	50	20	DDGD	
O=C(COc1ccc(F)cc1)NN=Cc1ccc(O)cc1O	725444765	LXLAEUQKZQHWON-UHFFFAOYSA-N	304.277	1.766	50	20	DDGD	
CCN(CCO)NC(=O)CCCOc1ccc(Cl)cc1	823852367	FMEPXWKTAWJYGB-UHFFFAOYSA-N	300.786	1.844	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NC[C@H]1CCOC(C)(C)C1	496551764	QNOOCNDQYMOJTE-JTQLQIEISA-N	301.387	1.931	50	20	DDGD	
COC(=O)NNC(=O)c1cccc(NC(=O)c2ccco2)c1	495326342	JRCKNHLTDJLKBQ-UHFFFAOYSA-N	303.274	1.533	50	20	DDGD	
CCO[C@@H](CCNC(=O)/C(C#N)=C/c1cnn(C)c1)C(C)C	491105375	QBTMMULYFGHQJX-NHXNDTTKSA-N	304.394	1.894	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(C)(C)CNC(=O)OC(C)(C)C	493245200	YRQULMDCQZLPGV-UHFFFAOYSA-N	315.414	1.731	50	20	DDGD	
O=C(N1CCC(Cc2ccccc2)CC1)N1CC[C@H](B(O)O)C1	585056705	VCORBKRUTDXCGJ-INIZCTEOSA-N	316.210	1.610	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1ccc(C(=O)C(C)C)cc1	491933848	URILRQUDTYGIEV-UHFFFAOYSA-N	300.336	1.075	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)CCCc2ccccc2)CCOC1	733347051	ZMAOXNRMXBKKDG-KRWDZBQOSA-N	319.405	1.766	50	20	DDGD	
Cc1cc(C)c(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)[nH]1	822194242	ORRJNJALDKZEDU-UHFFFAOYSA-N	309.333	1.576	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1cc(C)c(OC)c(C)c1	490635964	MCEUFGCOPXLRAL-UHFFFAOYSA-N	302.352	1.251	50	20	DDGD	
C[C@H]1CSCCN1C(=O)NNC(=O)c1cccc(C#N)c1	738476114	SFQAWLGVNBQCNT-JTQLQIEISA-N	304.375	1.350	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21)c1cccc2ccccc12	906790932	QSNDERJTAPTQLE-FVQBIDKESA-N	308.337	1.826	50	20	DDGD	
CCOCCCN1CCC(=NNC(=O)c2cnccn2)[C@H](C)C1	735227805	ZSWXMOZGSAKQHO-CYBMUJFWSA-N	319.409	1.331	50	20	DDGD	
CCNC(=O)N(C)N=Cc1ccccc1O[C@H](C)C(=O)OC	901207010	IJEKRWKALZAKJW-LLVKDONJSA-N	307.350	1.622	50	20	DDGD	
COc1cc(CNCc2ccc(B(O)O)cc2F)ccc1C	585019808	SBFIPUQVMHFIPY-UHFFFAOYSA-N	303.142	1.112	50	20	DDGD	
Cc1cc(NNC(=O)CS(C)(=O)=O)ccc1Br	734252972	MOCMRPHCMOSPGU-UHFFFAOYSA-N	321.196	1.245	50	20	DDGD	
CC(C)N1CCN(CCCC(=O)NCC(Cl)Cl)CC1	908184810	VSXCRALJYTZIMZ-UHFFFAOYSA-N	310.269	1.713	50	20	DDGD	
CCOCC(=O)NN=Cc1cc(OC)c(OCC)c(OC)c1	731152352	DLCMGRBBCWVZBL-UHFFFAOYSA-N	310.350	1.589	50	20	DDGD	
Cc1cnccc1C=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1	834935290	QWFUOOQBDCMRCB-RBSFLKMASA-N	318.421	1.585	50	20	DDGD	
CO[C@H](C=NNC(=O)CCOc1ccccc1)C1CCOCC1	834951099	ZXOGVJHQTBDYOD-MRXNPFEDSA-N	320.389	1.999	50	20	DDGD	
Cc1cc(C(F)(F)F)ccc1CNCc1cccc(B(O)O)c1	585037358	VFZHMDNCECGOPU-UHFFFAOYSA-N	323.123	1.983	50	20	DDGD	
O=C(NCC[C@H]1C[C@H]2CC[C@H]1C2)NNC(=O)[C@@H]1CCCCO1	836271289	ZFHKDBNRIGLEFZ-XUXIUFHCSA-N	309.410	1.712	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1scnc1Cl	731330396	PIAZGMSLLCNLTH-UHFFFAOYSA-N	313.741	1.939	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(NC(=O)O)cc2)nc(C)n1	738241507	WSSPKUIZGLKKTN-UHFFFAOYSA-N	301.306	1.940	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2ccc(O)cc2O)ccn1	731560858	FOOBPEQKBHCERP-UHFFFAOYSA-N	300.318	1.323	50	20	DDGD	
C[C@@H](Cc1cccs1)N(C)C(=O)c1ccc(B(O)O)cc1	584957243	MYDCPDYQTQVUNM-NSHDSACASA-N	303.192	1.131	50	20	DDGD	
Cc1ccc(NNC(=O)CCCS(C)(=O)=O)c(Cl)c1	836937188	ZENVQMVMTOFRIG-UHFFFAOYSA-N	304.799	1.916	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1	839717249	LFACIYFVECXYLS-NWDGAFQWSA-N	306.322	1.391	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2ccc(CO)o2)n1	739400647	SDXJVLCPYDPJRM-UHFFFAOYSA-N	320.374	1.421	50	20	DDGD	
CCOc1cc(Cl)ccc1CNCc1ccc(B(O)O)cc1	585029374	FYIUFFVALFWHSB-UHFFFAOYSA-N	319.597	1.708	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H]2Br)C[C@@]2(CCOC2)O1	907918217	MDEQPIWNYGYIOB-LYIQGSDWSA-N	318.211	1.566	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2c(C)nn(CCC(=O)O)c2C)o1	832912052	RRFOQNQAIDBSMY-UHFFFAOYSA-N	318.333	1.640	50	20	DDGD	
C[C@]1(C(=O)N2CCO[C@H](C(F)(F)F)C2)C[C@@H]1Br	906766609	BBSYGGFDVFEXEZ-ZKWXMUAHSA-N	316.117	1.950	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cnc1Cl	831546299	SVNKHCRFTBAJJM-WCBMZHEXSA-N	312.757	1.621	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccccc2F)CC1)[C@H]1CCCCO1	833243605	UYHCDTQIITWKES-CQSZACIVSA-N	320.364	1.865	50	20	DDGD	
Cc1ncsc1C(=O)NN[C@@H](C(=O)O)c1ccc(F)cc1	738892667	MRTOWRXSAHSEQQ-SNVBAGLBSA-N	309.322	1.651	50	20	DDGD	
Cn1ccc(CCC(=O)NNc2cc(C(F)(F)F)ccn2)n1	832968486	MMSNVGCLLOBFTF-UHFFFAOYSA-N	313.283	1.910	50	20	DDGD	
Cn1c(NNC(=O)c2cncs2)nc2ccccc2c1=O	733261575	SUXXYGNMWQDPJN-UHFFFAOYSA-N	301.331	1.147	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1cc(F)cc([N+](=O)[O-])c1	731453053	GJFPZCMLKQXETD-UHFFFAOYSA-N	304.237	1.204	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C(C)(C)C	735552202	VVGOHANSXYBOCR-SECBINFHSA-N	316.365	1.310	50	20	DDGD	
CCC[C@H](NCc1ccc(B(O)O)o1)c1ccc(F)cc1F	585030929	LLRICARSFUFBOJ-AWEZNQCLSA-N	309.121	1.869	50	20	DDGD	
O=C(COC(=O)C[C@@H]1CC[C@H]2C[C@@H]12)NNC(=O)c1ccccc1	838140358	ZPKINMXADVTQND-MELADBBJSA-N	316.357	1.427	50	20	DDGD	
CC(=NNC(=O)c1csc(N2CCOCC2)n1)c1ccc[nH]1	916338307	MGYXGUOPCFUDLD-UHFFFAOYSA-N	319.390	1.462	50	20	DDGD	
COCCN(C)NC(=O)c1c(C)nc(C(C)C)nc1SC	837622059	QTQPETMMFDSELR-UHFFFAOYSA-N	312.439	1.853	50	20	DDGD	
CC(C)(CC#N)CNC(=O)NNC(=O)COCc1ccccc1	838753735	OWRJQXLPKNPQOG-UHFFFAOYSA-N	318.377	1.473	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)C[C@H]1C[C@H]2CC[C@H]1O2	836774957	WYKMZSLDPFLHPI-RBSFLKMASA-N	302.374	1.643	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H](C)C[C@@H](C)N)cc1C	831197763	TZNXMAHEHQBNLM-CHWSQXEVSA-N	322.409	1.138	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)C(=O)N2CCCC2)C12CCCC2	743435911	BXTMBTBZSNFIJX-ZDUSSCGKSA-N	307.394	1.450	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)CC(C)(C)C	917625351	OYODUFLUEFMLCH-QWRGUYRKSA-N	318.439	1.031	50	20	DDGD	
COc1cc(C=NNC(=O)Cc2ccncc2)cc2c1OCO2	747645840	KHWNUBANWVSYGW-UHFFFAOYSA-N	313.313	1.512	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(CN2CCCCC2=O)cc1	910171050	RHHQBEWCLIHOKP-ZDUSSCGKSA-N	319.405	1.157	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NC2CCOCC2)c2ccccc21	918233277	LVXXMWOWHNSMRJ-UHFFFAOYSA-N	316.361	1.301	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@@H](C)C(F)(F)F)cc1	743298327	SVSMPPAEAMCDQP-MRVPVSSYSA-N	319.283	1.453	50	20	DDGD	
CN(C)C(=O)NN=Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1	745602787	XYVQZJLIRDUDHC-UHFFFAOYSA-N	316.321	1.600	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(-c2ccc(OC)cc2)on1	911437981	COSQBJSGYOIWMB-UHFFFAOYSA-N	305.334	1.309	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2CCN(CC(F)F)C2)n1	841594122	HUMAXGHPDIPVQC-SECBINFHSA-N	315.324	1.056	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N2C[C@@H]3[C@H](C2)C3(F)F)cc1	846710450	MFQGGFDCDKRXPF-PHIMTYICSA-N	306.272	1.110	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H]1CCc2ccccc2C1	845299232	XXCDAQKBUFKMNJ-AWEZNQCLSA-N	305.378	1.158	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccc([N+](=O)[O-])[nH]2)o1	746526284	YNVNSQOGABMNHF-UHFFFAOYSA-N	304.266	1.663	50	20	DDGD	
O=C(O)CC[C@@H](Cc1ccccc1)NS(=O)(=O)CCl	841779527	JPMXVRODHOXOAN-NSHDSACASA-N	305.783	1.578	50	20	DDGD	
CCC(N)(CC)CNC(=O)NNC(=O)c1c[nH]c2ccccc12	841951324	HPDJBKVJSGTJOB-UHFFFAOYSA-N	317.393	1.629	50	20	DDGD	
C[C@@H]1NC(=O)[C@H](C)N(C(=O)/C(C#N)=C/c2ccc(O)cc2)[C@H]1C	911799670	KIBNISPOJFNJSX-GGOYCOCDSA-N	313.357	1.423	50	20	DDGD	
CSc1ccc(NC(=O)NN(C)C(=O)N2CCNCC2)cc1	841023058	IBIPGOIVVRJNKH-UHFFFAOYSA-N	323.422	1.402	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNC(=O)c1cc2ccccc2o1	749472938	XQBLPHBLUOWUJO-SECBINFHSA-N	303.318	1.109	50	20	DDGD	
C[C@H](CNC(=O)NNc1nc2ccccn2n1)CC(F)(F)F	840436181	LXANKWKQUUCRFU-QMMMGPOBSA-N	316.287	1.944	50	20	DDGD	
C[C@@H](CCc1cccn1C)NC(=O)NNC(=O)CC(F)(F)F	745875028	IWSPBIUTCFNCHO-VIFPVBQESA-N	320.315	1.629	50	20	DDGD	
N[C@@H](CNC(=O)NNC(=O)CCCc1ccccc1)C1CC1	841965880	KZMGKCRSRYOSJP-AWEZNQCLSA-N	304.394	1.077	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@H]2C[C@H]3CC[C@H]2O3)c1	843871311	YXHPNKRSYRXPDM-HZSPNIEDSA-N	318.377	1.791	50	20	DDGD	
CCCNCCNC(=O)NNC(=O)C(C)(C)c1ccccc1	841965871	ZPOLAQDCXODRHM-UHFFFAOYSA-N	306.410	1.294	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@H](C)CCc1ccc2c(c1)OCO2	746230693	FVDKDRQKXAZZID-LLVKDONJSA-N	321.377	1.723	50	20	DDGD	
Cc1cc(C)n2nc(NC(=O)NNc3ccc(C#N)cc3)nc2n1	747830727	FYDMSEPGSUNJML-UHFFFAOYSA-N	322.332	1.761	50	20	DDGD	
CCN1C[C@H](CNC(=O)[C@@]2(C)C[C@H]2Br)CC1=O	911892113	ZBONTXJZXOLSTB-SBMIAAHKSA-N	303.200	1.145	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cnc3n2[C@@H](C)CCC3)n1	844507826	WUTPHSSSAXBBKV-NSHDSACASA-N	313.361	1.559	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@H](C)C(F)(F)F)cc1	743298328	SVSMPPAEAMCDQP-QMMMGPOBSA-N	319.283	1.453	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@]1(C)CCc2ccccc21	843844951	BLGUFALEUZCXMB-HNNXBMFYSA-N	323.487	1.749	50	20	DDGD	
CC(=O)NNC(=O)C[C@H](CC(C)C)NC(=O)OC(C)(C)C	929182919	KZSVMKLOBNMTDT-NSHDSACASA-N	301.387	1.483	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNc1cccc(C(F)(F)F)n1	759094010	JZGKLDAUPNBFBK-ZETCQYMHSA-N	305.256	1.743	50	20	DDGD	
C[C@@]1(CNC(=O)N(CCO)CC2CC2)C[C@H]1Br	856952397	BUBLBFAEYUXLNW-PWSUYJOCSA-N	305.216	1.574	50	20	DDGD	
CC(C)N1CCC[C@H]1C(=O)NNC(=O)COc1ccccc1F	929249490	OZRFEDKVOWCIRN-ZDUSSCGKSA-N	323.368	1.225	50	20	DDGD	
O=C(NC[C@H]1CCCN1CC(F)F)NNc1ncccc1F	858749714	XFTVSFUBNFWDMD-SECBINFHSA-N	317.315	1.576	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)NCC1(CC(N)=O)CC1	922930580	KOCOTRWFFFTUAE-UHFFFAOYSA-N	310.785	1.930	50	20	DDGD	
O=C(CC[C@@H]1CC1(Cl)Cl)NNC(=O)c1ncccn1	854954047	ZYEBVBFAGIMSJH-SSDOTTSWSA-N	303.149	1.212	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cc2[nH]cnc2C)c1C	855625228	MPQMSCJGLHPSAG-UHFFFAOYSA-N	302.334	1.499	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=S)NC(C)(C)C)c(O)n1	929428379	DVRAFYJFBLCGPL-UHFFFAOYSA-N	310.423	1.818	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NC[C@@H](C)C2CC2)c1	920050414	YYIUYZNXCLQBDP-GFCCVEGCSA-N	305.378	1.750	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H](C)Cc1cnc2ccccc2n1	854921828	OVGPQLXIOJFOMP-JTQLQIEISA-N	317.418	1.276	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(COC2CCCC2)cc1	756687987	XHTVKRGPVHMVMW-UHFFFAOYSA-N	321.377	1.945	50	20	DDGD	
O=C(CCn1ccnc1)NNC(=O)c1ccc2ccccc2c1	751342708	BVLMMIYQNZXHRD-UHFFFAOYSA-N	308.341	1.888	50	20	DDGD	
CN(CC1(C)COC1)C(=O)NC[C@@]1(C)C[C@@H]1Br	858629187	NTCNTKUHTAALEM-JOYOIKCWSA-N	305.216	1.838	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNC(=O)c1cn[nH]c1)c1cccnc1	858272139	BKBOSYKVBWIWJM-CYBMUJFWSA-N	316.365	1.189	50	20	DDGD	
O=C(NNC(=O)C(F)F)c1cc(Br)ccc1O	753670404	SYAWEFOVSURQIU-UHFFFAOYSA-N	309.066	1.181	50	20	DDGD	
CCOc1nc(C(=O)NNc2nc(-c3ccncc3)no2)co1	753816194	JSGWGHQWASZCEG-UHFFFAOYSA-N	316.277	1.275	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)N2CCO[C@@H]3C[C@H]32)cc1	852398570	HBVQPRXJXPOZHL-ZIAGYGMSSA-N	317.389	1.812	50	20	DDGD	
COc1ccc([C@H](NC(=O)NNC(=O)C(C)(C)C)C2CC2)cn1	858207220	GFZVGUZDVLIVEU-CYBMUJFWSA-N	320.393	1.918	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NC[C@H]1CCN(C(N)=O)C1	854432689	BJJQINWBSOEGOE-BFTHVDOESA-N	316.336	1.249	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=Cc1cccc(Cl)c1F	759666859	PZXQOSIINHURGK-UHFFFAOYSA-N	324.699	1.373	50	20	DDGD	
CC(C)Cn1ncc(C(=O)NNC(=O)c2cc[nH]n2)c1C1CC1	855357386	IBVIMMNNECUAKW-UHFFFAOYSA-N	316.365	1.214	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cccc(OC[C@@H]2CCCO2)c1	854926803	LXSHQFICXQKAQZ-ZDUSSCGKSA-N	323.418	1.325	50	20	DDGD	
C[C@H](O)[C@@H]1CCCN(C(=O)NC[C@]2(C)C[C@H]2Br)C1	856955191	WFXIKPBRYWOCEJ-WGBDABJCSA-N	319.243	1.962	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CCn3ccnc3C2)c1	858374360	ZKZFMOVKYGRKCH-SNVBAGLBSA-N	319.390	1.212	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc2c(c1)CCOC2	854683686	UBYIDOHUJFMVLX-CQSZACIVSA-N	304.346	1.089	50	20	DDGD	
CCOc1cc(C(=O)NNc2ccc(C(F)(F)F)nn2)on1	857476450	OTLSZGTZQFQREC-UHFFFAOYSA-N	317.227	1.639	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cccc(N2CCCCC2)c1	756192918	DXCWQSMDBNVQQO-UHFFFAOYSA-N	320.393	1.866	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNC(=O)Nc1ccccc1C	935801941	AIKKNWIDUYHBDQ-GHMZBOCLSA-N	305.334	1.347	50	20	DDGD	
O=C(CCCc1ccc2c(c1)OCCCO2)NNc1nc[nH]n1	863917001	QPTGLUPRAJADGD-UHFFFAOYSA-N	317.349	1.432	50	20	DDGD	
C[C@@H](NC(=O)c1ccccc1)C(=O)NN[C@H](C)C(F)(F)F	862305134	WQSVREOLNQJMEN-RKDXNWHRSA-N	303.284	1.377	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCc1ccc2c(c1)CNC2	866761608	ZSOXZLIWSRQWNC-UHFFFAOYSA-N	316.854	1.974	50	20	DDGD	
CN(C)Cc1ccc(S(=O)(=O)NCC(Cl)Cl)cc1	867470586	PUEYMZVKYOGGIJ-UHFFFAOYSA-N	311.234	1.830	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H]2CCCN(CC(F)F)C2)cc1	866868467	KDRZHXWUSGQRBQ-LBPRGKRZSA-N	308.332	1.978	50	20	DDGD	
C[C@@H]1C(=NNC(=O)[C@H]2CCC(=O)N2)CCN1Cc1ccccc1	863149620	DHGGTJCHJCEIPA-IUODEOHRSA-N	314.389	1.032	50	20	DDGD	
Cc1cccc([C@@H]2C[C@H]2C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	862094940	SIHCDVKWRUYYOJ-CYUUQNCZSA-N	302.374	1.671	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=Cc1ccsc1C(F)(F)F	863183538	FCLGJJRNNIYCQW-UHFFFAOYSA-N	314.310	1.262	50	20	DDGD	
C[C@H](NNC(=O)C[C@H](NC(N)=O)c1ccccc1)C(F)(F)F	862307065	SLXPDOVLYOSBIS-WPRPVWTQSA-N	318.299	1.358	50	20	DDGD	
C[C@H](NNC(=O)c1ccc(CS(C)(=O)=O)cc1)C(F)(F)F	862303925	CVCDURIGEGATAN-QMMMGPOBSA-N	324.324	1.416	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](C)Cn2ccc(C)n2)n1	866295047	ZATDBDJLYWIQKZ-VIFPVBQESA-N	304.354	1.078	50	20	DDGD	
COC[C@@](C)(NC(=O)NNc1cccc(OC)n1)C(F)(F)F	932334843	RAVPSXFBLCAWRP-LLVKDONJSA-N	322.287	1.684	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)C1(F)CCOCC1	869202696	MPCBDWMXMWYXOJ-UHFFFAOYSA-N	319.134	1.201	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CCC(=O)N2)ccc1SC	863144731	FIBSFNGXTSNFPB-SNVBAGLBSA-N	307.375	1.146	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=Cc1ccc(N2CCCCC2)cc1	863188781	MSBDGYXRXPJPGP-UHFFFAOYSA-N	323.418	1.172	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Cc2csc3nccn23)n1	764678832	OMJKOXAFDJRFEM-UHFFFAOYSA-N	302.363	1.488	50	20	DDGD	
CC[C@H](CC(=O)NNC(=O)c1cn[nH]c1)c1ccc(OC)cc1	862472278	JHCBZPHQUGDASW-LLVKDONJSA-N	316.361	1.763	50	20	DDGD	
CCC[C@@](C)(NS(=O)(=O)CC(C)(C)CCl)C(=O)OC	866467195	ZMHSEGRFXBUKMZ-GFCCVEGCSA-N	313.847	1.903	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(C(F)(F)F)cn1)[C@@H]1CCC(=O)N1	860938289	UJUQDEGXPCOJNX-CBAPKCEASA-N	316.283	1.458	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@H](C)c2ccc[nH]2)c1	760288123	RTOIUMWABDQXLR-GFCCVEGCSA-N	316.361	1.794	50	20	DDGD	
CC(C)(F)C(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1	768636506	CLEYZMZAIUGDOM-UHFFFAOYSA-N	316.716	1.392	50	20	DDGD	
COC[C@@H](C)NC(=S)NNC(=O)c1nc2ccccc2s1	766756600	NWFVWNFIOYNLGJ-MRVPVSSYSA-N	324.431	1.440	50	20	DDGD	
CCO[C@@H](CCNC(=O)NN(C)C(=O)OC)C1CCCC1	875339135	XGCGWJQGMOMOON-LBPRGKRZSA-N	301.387	1.884	50	20	DDGD	
Cn1ccc(CCNC(=O)NNc2ncnc3ccsc23)n1	760696320	XPHTWXAOBBXMCA-UHFFFAOYSA-N	317.378	1.294	50	20	DDGD	
Nc1cc(C(=O)NN=C2CCN3CCC[C@H]23)cc([N+](=O)[O-])c1	765562437	HGKKPGKSJRBKOV-CYBMUJFWSA-N	303.322	1.131	50	20	DDGD	
CCOCC(=O)NN=Cc1cc(O)ccc1Br	769793413	RMEJBNKQRNKHEP-UHFFFAOYSA-N	301.140	1.641	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C)c1C=NNC(=O)N1CCOCC1	872346225	MBBSBWDNOMVPKT-UHFFFAOYSA-N	306.322	1.587	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc2ccc(=O)n(C)c2c1	879391371	CDKUGMVXAWGQHH-UHFFFAOYSA-N	304.350	1.153	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc(CSC(F)F)o1	872403048	HBVIFQSJNZUSJC-UHFFFAOYSA-N	322.333	1.849	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCC2CCOCC2)n1	1116876640	BHOQGOQHNWXUOC-UHFFFAOYSA-N	306.366	1.151	50	20	DDGD	
O=C(O)c1cccc2c1C(=NNC(=O)N1CCOCC1)CC2	872346217	LWGLFBBOOBDBBM-UHFFFAOYSA-N	303.318	1.077	50	20	DDGD	
O=C(NN=Cc1cn(C[C@H]2CCCO2)nn1)c1ccccc1F	872327222	KJVLPTJFHDNPAR-GFCCVEGCSA-N	317.324	1.360	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNc1cccc([N+](=O)[O-])c1C	770811821	PNSYDRQSBDEWRT-UHFFFAOYSA-N	303.322	1.956	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NN(C)C(=O)OC)cc1Cl	878756878	VLYVHBVAJBHXCC-UHFFFAOYSA-N	315.713	1.861	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cc(Br)nn1C	879643576	MIXHBBCJRXIIKI-LURJTMIESA-N	318.175	1.381	50	20	DDGD	
CN1CCC[C@H]1C(=O)NNC(=S)Nc1cccc(Cl)c1	873786208	WPHDSEVEIZUKTD-NSHDSACASA-N	312.826	1.752	50	20	DDGD	
N#CSCCCNC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21	773586093	DBBSQFQGIABKLH-NSHDSACASA-N	307.350	1.972	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)N[C@@H]1CC12CCC2	876425978	GQYPNHLGJCOGPT-CQSZACIVSA-N	312.373	1.983	50	20	DDGD	
COc1ccnc(NNC(=O)c2c[nH]c(Br)c2)n1	1116073698	QCBLHFVVBUPSME-UHFFFAOYSA-N	312.127	1.333	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)O[C@@H]2CCCN(C)C2=O)cc1	778745882	IPPZWKGJKWTUDN-NRMKIYEFSA-N	314.341	1.766	50	20	DDGD	
N#Cc1cccc(C2(C(=O)NNc3ncnc4[nH]cnc34)CC2)c1	1116325237	XGRUBTCQGPHXJD-UHFFFAOYSA-N	319.328	1.399	50	20	DDGD	
CC(C)c1nccn1CC(=O)NNC(=O)NC1CCCCC1	873772522	SLTMUQGBFJSOKV-UHFFFAOYSA-N	307.398	1.670	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C\c1ccc(N2CCN(C)CC2)cc1	771522065	XVFHVCADCAJWSB-SSZFMOIBSA-N	310.401	1.648	50	20	DDGD	
C[C@@H]1[C@H](NC(=O)NNc2cccc(F)c2F)CCS1(=O)=O	875870105	USBHFRSOESSSHU-VXNVDRBHSA-N	319.333	1.167	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)N[C@H]1CC12CCC2	873264369	FGTDELYOHQHXOK-QMMMGPOBSA-N	312.171	1.808	50	20	DDGD	
Cc1cc(C(=O)NNc2nc(O)c3cnn(C)c3n2)c(C)o1	770972041	PBQXRWIZDWUUCM-UHFFFAOYSA-N	302.294	1.036	50	20	DDGD	
CC(C)(C(=O)NNc1nc(-c2ccncc2)no1)c1cccnc1	777800450	MVJRBXQTBBCZPE-UHFFFAOYSA-N	324.344	1.948	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(N2CCO[C@H](C)C2)cc1	770034230	KCAIODOVYCFPHP-LLVKDONJSA-N	322.365	1.694	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCCCl)[C@H](O)Cc1ccccc1	882006493	PGXGJPKWRAMDDT-DGCLKSJQSA-N	305.827	1.527	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ncoc1-c1ccc(F)cc1	771288069	YDALQVZYVLLTNE-UHFFFAOYSA-N	306.297	1.833	50	20	DDGD	
O=C(NNC(=O)c1ccc2cc[nH]c2n1)c1ccc(Cl)nc1	779497656	BHIFJLUVJCWGEI-UHFFFAOYSA-N	315.720	1.686	50	20	DDGD	
CC1(C)CCC[C@@H](CNC(=O)NNC(=O)c2cccnn2)C1	883684261	BCQPOULOHCDGKX-LLVKDONJSA-N	305.382	1.637	50	20	DDGD	
Cc1cccc(F)c1S(=O)(=O)NNC(=O)C1CCCC1	775263493	DSKNBGQDWQFJDK-UHFFFAOYSA-N	300.355	1.634	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cnc(C(F)(F)F)c(C#N)c1	887149405	VBBIAJLRANITRZ-UHFFFAOYSA-N	324.262	1.537	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)c2ccc(F)cc21)C(F)F	782236995	GTFQPXVIUQHIHL-UHFFFAOYSA-N	306.265	1.089	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cc(C(N)=O)cs2)c1	780802620	YNSSOWDWRBIXNR-UHFFFAOYSA-N	319.342	1.391	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1cc(C(=O)O)ccc1C	788424593	IRAOVBFSTBMVOS-UHFFFAOYSA-N	307.350	1.753	50	20	DDGD	
CCn1[nH]nnc1=NC(=O)NNc1cccc(C(F)(F)F)c1	888329473	AGKPTCLFFAHZLN-UHFFFAOYSA-N	315.259	1.282	50	20	DDGD	
CCc1ncsc1NC(=O)C(=O)NNc1cccc(OC)n1	784846953	XFQCTZFGROFVRN-UHFFFAOYSA-N	321.362	1.191	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1F)C1(O)CCSCC1	885151481	FIEBKDHFMQPNCG-UHFFFAOYSA-N	306.309	1.805	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cscc1Cl	880977437	WFJZSKVKAIEQSF-RNFRBKRXSA-N	303.771	1.979	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccc(F)cc2F)c(C)n1	782751874	IJYNVAXVJWESEX-UHFFFAOYSA-N	310.304	1.873	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNc2ccc(-n3ccnc3)nn2)cc1	788177817	JYKZUXWTQSIEGP-UHFFFAOYSA-N	322.328	1.622	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)NOC[C@@H]1CCOC1	788325233	GXUMUPJWTVSJTN-SECBINFHSA-N	317.292	1.882	50	20	DDGD	
CC[C@@H](NS(=O)(=O)CCCCCl)[C@@H](O)C(F)(F)F	780827260	GFAAOUQTLCIBJJ-HTQZYQBOSA-N	311.753	1.627	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCOc2ccc(Cl)cc21	783807001	JRQHBJQZGFFMRI-UHFFFAOYSA-N	321.764	1.565	50	20	DDGD	
Cc1cnn(CC(=O)NNc2nnc(-c3ccccn3)s2)c1	788566451	GUXKEXWTNRIILY-UHFFFAOYSA-N	315.362	1.248	50	20	DDGD	
COCCONC(=O)NNC(=O)c1cc(C)nc2ccccc12	789338405	GDDTYNVUNRDVCA-UHFFFAOYSA-N	318.333	1.065	50	20	DDGD	
Cc1ccc(F)cc1C(=O)C(=O)NNC(=O)c1ccccc1	781549608	HEJOLLJGGUEJIA-UHFFFAOYSA-N	300.289	1.778	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccnn1CC(F)F	789868013	NBDSYMIDOYNRKB-UHFFFAOYSA-N	311.248	1.813	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC2CC2)c(OC(F)F)c1	789743662	FELFVGOGGPCIAZ-UHFFFAOYSA-N	315.276	1.403	50	20	DDGD	
CCC[C@@H](C)N1C[C@@H](C(=O)NNc2cccc(OC)n2)CC1=O	780771338	LZQIOPCABVPXTP-NEPJUHHUSA-N	320.393	1.570	50	20	DDGD	
CC(=O)c1cccc(NC(=O)NNC(=O)N=c2cc[nH]cc2)c1	794749137	YNWKKEPPCWTWRZ-UHFFFAOYSA-N	313.317	1.564	50	20	DDGD	
C[C@@H](C=NNC(=O)Cc1ccncc1)NC(=O)OC(C)(C)C	799112088	ZCLJGFPGYMLJEI-NSHDSACASA-N	306.366	1.639	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C[C@@H]2CSCCS2)n1	794088085	VLCCSDHBPWSGBF-SNVBAGLBSA-N	311.432	1.390	50	20	DDGD	
Cc1cc(CC(=O)NN=C[C@H](C)NC(=O)OC(C)(C)C)n[nH]1	799107546	ZLMFXVMEQLLYJE-JTQLQIEISA-N	309.370	1.276	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)nc1	793890097	WOXGIKNMPPEYEU-IBHVXFMWSA-N	311.385	1.927	50	20	DDGD	
C=C(CBr)COC(=O)/C=C\c1cnc(OC)nc1	795594958	OMVCTRDDFJOJOH-ARJAWSKDSA-N	313.151	1.993	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)OCC(=O)c2cnccn2)c1	791605213	ZMJZQZIMUHEVGC-QPEQYQDCSA-N	323.308	1.818	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(C)n([C@@H](C)C2CC2)n1	798306465	IQYONVCBGCAWLB-JTQLQIEISA-N	307.423	1.457	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)nc(C)n1	792644457	ZRCOONPEBIKVAX-HNNXBMFYSA-N	320.356	1.791	50	20	DDGD	
COc1cccc(C2(C(=O)NNC(=O)NCC3CC3)CC2)c1	795588189	RKHNMYJYXAREPU-UHFFFAOYSA-N	303.362	1.467	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)N=c2cc[nH]cc2)c1	794753747	IFEVCEUTZKERFI-UHFFFAOYSA-N	301.306	1.370	50	20	DDGD	
CC(=O)CC(C)(C)CC(=O)NNC(=O)c1n[nH]c2c1CCCC2	1321781894	FUZZHNDVHHFBSJ-UHFFFAOYSA-N	320.393	1.445	50	20	DDGD	
COC(=O)C(=O)NN=C(Cc1ncccc1C)C(F)(F)F	1323496863	PRPYQSTWPNZGAE-UHFFFAOYSA-N	303.240	1.140	50	20	DDGD	
Cc1noc(C)c1NC(=O)NNC(=O)c1n[nH]c2c1CCCC2	1320118204	HVXZKDFNLBCJKY-UHFFFAOYSA-N	318.337	1.360	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)nc2ccccc12	1326336812	UCPSDRYCKXTYIJ-YPMHNXCESA-N	313.357	1.729	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2ccc(OC)cc2)cn1C	1326242272	RXGKNJBPPUBZFZ-UHFFFAOYSA-N	315.329	1.584	50	20	DDGD	
CN[C@H](C)CCNC(=O)NNC(=O)c1cn(C)c2ccccc12	1331467474	YASWKBQLXIKZFX-LLVKDONJSA-N	317.393	1.120	50	20	DDGD	
Cc1c(C(F)(F)F)n[nH]c1C(=O)NNC(=O)[C@@H]1CCCCO1	1335969997	CCMLOZLQQLGQGT-ZETCQYMHSA-N	320.271	1.067	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)C(=O)Nc1cccnc1	1339277447	XAZXZOGKRHKEHB-UHFFFAOYSA-N	300.322	1.077	50	20	DDGD	
O=C(CN1CCCC1)NNc1nc2ccccc2[nH]c1=S	1332372674	HUZZWUJDXAIZBI-UHFFFAOYSA-N	303.391	1.831	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)NCc2ccoc2)C[C@@H]1Br	1331358459	JFARQBBQIHPYLE-JOYOIKCWSA-N	315.167	1.186	50	20	DDGD	
CC1(C)C[C@@](C)(NC(=O)NNc2ncc(F)cc2F)C(=O)O1	1347006696	UYIOKXBGGPGLJU-CYBMUJFWSA-N	314.292	1.470	50	20	DDGD	
CC(C)O[C@H]1C[C@@H](NC(=O)NNc2nncc(N)c2Cl)C1	1344566998	LZPYYQBNUSKIRN-OCAPTIKFSA-N	314.777	1.294	50	20	DDGD	
CC(=NNC(=O)C1CCOCC1)c1ccc(C(=O)O)c(F)c1	1353089952	RPWMSHBQRQRBMH-UHFFFAOYSA-N	308.309	1.791	50	20	DDGD	
COc1ccc(C(=O)NN[C@@H](C(=O)O)c2ccc(F)cc2)cc1	1607206512	YLPTUERGGXTEFJ-CQSZACIVSA-N	318.304	1.895	50	20	DDGD	
C[C@@H](CNC(=O)NNc1cccc(C(=O)O)c1)CN1CCCC1	1609746751	PVGWTSLSIDXHEZ-LBPRGKRZSA-N	320.393	1.743	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1cc(-c2nn[nH]n2)cs1	1604718516	VDKFEOMZSQDNNM-UHFFFAOYSA-N	306.178	1.804	50	20	DDGD	
Cc1cc(NNC(=O)Nc2ccc(C(=O)O)s2)nc(N)n1	1600283435	QXQAYPBRHKNKMJ-UHFFFAOYSA-N	308.323	1.276	50	20	DDGD	
O=C(CCCn1cncn1)NNc1ccc(C(=O)O)c(F)c1	1601277215	ZTPSHRRCENNJTQ-UHFFFAOYSA-N	307.285	1.039	50	20	DDGD	
O=C(O)CCc1ccccc1C(=O)NNc1ncncc1Cl	1602045827	WFXJZVGQKRAOMQ-UHFFFAOYSA-N	320.736	1.904	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)Nc1cc(C(=O)O)cnc1Cl	1601561465	JHVYHTAOHPNPCV-UHFFFAOYSA-N	307.697	1.399	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1ncn(-c2ccccc2)n1	1608484533	WOWFXJUKFIUCLK-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)Nc1cncc(C(=O)O)c1	1601560929	GPNZVVXRXGOOIR-UHFFFAOYSA-N	317.261	1.837	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cn3ccnc3s2)nc1	1602384405	LMGXOMMFPPXVGA-UHFFFAOYSA-N	303.303	1.246	50	20	DDGD	
Cc1scc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)c1C	1549904750	LJBXANYHQVQPRS-ZIAGYGMSSA-N	307.419	1.678	50	20	DDGD	
Cc1n[nH]cc1CCCNC(=O)NNc1cccc(C(=O)O)c1	1610404470	HMXIVQYETABAAC-UHFFFAOYSA-N	317.349	1.675	50	20	DDGD	
CCCN(CC(=O)O)C(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	1610216271	QUDJXIMXYDZORH-MLPAPPSSSA-N	314.345	1.435	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@@H]1C=NNC(=O)[C@H]1CCO[C@H]1C	1552762430	FUUMZWZICQXOQP-RFQIPJPRSA-N	320.393	1.508	50	20	DDGD	
N#CCCC[C@@H](N)C(=O)NNC(=O)c1cccc2ncccc12	1580049615	XJDTZIOXRNAXET-CYBMUJFWSA-N	311.345	1.017	50	20	DDGD	
CC(C)(C)OC(=O)C(C)(C)C(=O)NNc1ccc(C(=O)O)cn1	1589843435	UUXJROWSYNWRDQ-UHFFFAOYSA-N	323.349	1.591	50	20	DDGD	
C[C@H](S)C(=O)N1CCCC12CN(C(=O)C(C)(C)CCl)C2	1846366343	JGADVNROZPUVAE-JTQLQIEISA-N	318.870	1.773	50	20	DDGD	
CC(=O)c1cc(C(=O)NNc2ncccc2C(=O)O)cs1	1588528104	RGQTZKGOZHEJQA-UHFFFAOYSA-N	305.315	1.801	50	20	DDGD	
COCC(C)(C)CNC(=O)NNc1ccc(CC(=O)O)cc1	1599145246	LTWRXVYLSAFJMG-UHFFFAOYSA-N	309.366	1.612	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccc(-c2nn[nH]n2)c(C)c1	1591431528	PCNVVQSTQBDRSJ-WQLSENKSSA-N	313.317	1.272	50	20	DDGD	
O=C(NNc1ncccc1Cl)c1ccc(-c2nn[nH]n2)o1	1593168097	VZEKTLIQVVEBQZ-UHFFFAOYSA-N	305.685	1.265	50	20	DDGD	
O=C(Cc1ccccc1C(=O)O)NNc1ccc(Cl)nn1	1594709709	IKQODABIJXFYGS-UHFFFAOYSA-N	306.709	1.514	50	20	DDGD	
COc1cc(C(=O)NNc2cccc(C(=O)O)c2F)sn1	1599355162	HWSWBGUPAUATBN-UHFFFAOYSA-N	311.294	1.746	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(C)=O	1795330847	KILSUFUDVCYZAB-RNJOBUHISA-N	302.802	1.003	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccc(OC)c2)cc1	5513590	LVFCDVVGFLONQC-UHFFFAOYSA-N	300.314	1.779	50	20	DDGD	
N#Cc1ccc(C(=O)NCC(=O)NNc2ccc(F)cc2)cc1	158346390	MBBWVIUHDXPEFA-UHFFFAOYSA-N	312.304	1.570	50	20	DDGD	
Cc1cc(NC(=O)NNc2ncccn2)ccc1C(=O)N(C)C	160877399	JXPGPTALUKMLCT-UHFFFAOYSA-N	314.349	1.635	50	20	DDGD	
C[C@H]1CCCCN1CC(=O)NNC(=O)c1cccc(C#N)c1	164715709	KJEPPWUPYZQCJT-LBPRGKRZSA-N	300.362	1.194	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc(N2CCCCC2)cc1	155452512	LXIZDUZKILLEGD-UHFFFAOYSA-N	319.409	1.391	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)c1cccc2ncccc12	154974115	AVCHSGBXTHYWLQ-UHFFFAOYSA-N	310.357	1.982	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc(F)cc1C(F)(F)F	159448108	FTYFLBJQTZDUEK-UHFFFAOYSA-N	322.262	1.559	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2ccc(OC(F)(F)F)cc2)N1	159551932	WZYMGGSQUNUTHG-SECBINFHSA-N	303.240	1.307	50	20	DDGD	
CC1CCN(CC(=O)NNc2nc3ccccc3c(=O)[nH]2)CC1	159590559	STQQXYUIRPYMOA-UHFFFAOYSA-N	315.377	1.098	50	20	DDGD	
O=S(=O)(CCCCl)N1CCN(Cc2ccccn2)CC1	37842507	SNNGLUMRLAQETH-UHFFFAOYSA-N	317.842	1.158	50	20	DDGD	
O=S(=O)(NCCN1CC=CC1)c1ccc(CCl)cc1	392208116	GEBOAMPAQLIDJT-UHFFFAOYSA-N	300.811	1.576	50	20	DDGD	
CN(CC(=O)NCCCSC#N)C(=O)OCc1ccccc1	854359046	CEPAPHBIWQUGMH-UHFFFAOYSA-N	321.402	1.976	50	20	DDGD	
CN(CC(=O)N1CCCCC1)NC(=O)OCc1ccccc1	859389756	OCQMLJUMCNYXKA-UHFFFAOYSA-N	305.378	1.772	50	20	DDGD	
CCc1cc(C(=O)N(C)NC(=O)OCc2ccccc2)n[nH]1	862286601	CJXZRLAABXLLHR-UHFFFAOYSA-N	302.334	1.886	50	20	DDGD	
O=S(=O)(CCl)N1CC2(CCN2Cc2ccccc2)C1	867444580	YUIAIACYJWTDDR-UHFFFAOYSA-N	300.811	1.473	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1ccc([N+](=O)[O-])cc1	485403	VZXNIEHTQVHKJM-UHFFFAOYSA-N	313.313	1.989	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C	178949978	GVSFEDWQKJKNBK-FQNOHDAGSA-N	305.353	1.989	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@@H]1CCC[C@H]1C	104811165	WHFURRGDRGBLRP-DGCLKSJQSA-N	305.378	1.757	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1C[C@H]2[C@@H](C1)C2(C)C	176590871	IDHGMYVEVVRNFD-TXEJJXNPSA-N	303.362	1.637	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=S)NCC(F)(F)F)cc1	64080616	DZTKAPFCFJLJBC-UHFFFAOYSA-N	321.324	1.431	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)Cc1ccccc1	25417245	WZWKYIRXYDRQHF-UHFFFAOYSA-N	321.377	1.291	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CC[C@@H]1CCCCO1	110244232	QVSQBJBPUNAVIH-AWEZNQCLSA-N	320.389	1.734	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)c1ccc(F)cc1	68366719	NMVVCGUKATXDEL-UHFFFAOYSA-N	312.304	1.477	50	20	DDGD	
CS[C@@H](C(=O)NNC(=O)c1ccncc1)c1ccccc1	172489797	BREAGBFWDQKQED-CYBMUJFWSA-N	301.371	1.947	50	20	DDGD	
COCCC1(CNC(=O)NNC(=O)c2ccc[nH]2)CCCC1	119051542	DLOYOUDJTITQRI-UHFFFAOYSA-N	308.382	1.556	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccnc(Cl)c1F	128601529	QBQMHLZCRGGCIN-UHFFFAOYSA-N	308.700	1.273	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cc(C3CC3)[nH]n2)c2ccccc21	30562948	HNIPCGSSOGLIDR-UHFFFAOYSA-N	323.356	1.854	50	20	DDGD	
C=CCOc1ccc(C(=O)NNC(=O)NCCCOC)cc1	65205793	IEFTXDDOYPLMLY-UHFFFAOYSA-N	307.350	1.232	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)Nc1nccs1	73799417	YLSMJMZWDYOADU-UHFFFAOYSA-N	320.374	1.937	50	20	DDGD	
Cc1csc(NC(=O)C(=O)NNc2ccc(F)cc2C)n1	189197122	MYRSICRKGGCKQQ-UHFFFAOYSA-N	308.338	1.981	50	20	DDGD	
CC(C)C[C@H](C(=O)NNc1ncc(F)cn1)N1CCCCC1=O	122899813	CFLQDFOANVDNBT-GFCCVEGCSA-N	323.372	1.486	50	20	DDGD	
CC[C@H]1C[C@@H](C(=O)NNC(=O)CNc2ccc(C)cc2)CCO1	182973006	UNCBSILDJPHKOA-ZFWWWQNUSA-N	319.405	1.760	50	20	DDGD	
CCN(C)C(=O)CNC(=O)NNc1ccc(Cl)c(F)c1	186182201	SXWNTPUUZLQEMA-UHFFFAOYSA-N	302.737	1.584	50	20	DDGD	
COc1ccc(C(=O)NNc2cccc(S(C)(=O)=O)c2)cc1	181112305	NKEVNNJDKUXBFH-UHFFFAOYSA-N	320.370	1.856	50	20	DDGD	
CN(C)c1ccnc(C(=O)NNC(=O)NC2CCCCC2)c1	188896659	OWZUUXYLCFYXBY-UHFFFAOYSA-N	305.382	1.424	50	20	DDGD	
O=C(NC[C@H]1CCN(C2CC2)C1)NNc1cc(Cl)ccn1	181400752	JMSJBGNLQAJDSE-SNVBAGLBSA-N	309.801	1.845	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)c2cccc(N(C)C)c2)cn1	180504532	QUAQJZZULRKZKT-UHFFFAOYSA-N	315.377	1.434	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cc(C2CC2)[nH]c(=O)c1	186210760	OYGXRUAXBUXIRH-UHFFFAOYSA-N	314.301	1.917	50	20	DDGD	
CCCC(=O)N1CSC[C@@H]1C(=O)NNc1ccnc(F)c1	182412141	SQSXFHJOTXAFIX-SNVBAGLBSA-N	312.370	1.365	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(F)cc2C)n1	136689937	KUZSAFKPMVLIDT-UHFFFAOYSA-N	304.325	1.409	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)C[C@H]1CCC[C@H](C)C1	77164055	NXVWNSBOTLICDR-RYUDHWBXSA-N	311.426	1.655	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2cccc(F)c2)nc1C	182728458	DZQVIFQTGWVACB-UHFFFAOYSA-N	318.308	1.858	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)NCCc1cccs1	49167129	PBOISEXGZKKWLO-UHFFFAOYSA-N	310.404	1.700	50	20	DDGD	
Cc1nn(CCC(=O)NNc2ccnc(F)c2)c(C)c1[N+](=O)[O-]	182429893	XVVBKBHWPSRYMF-UHFFFAOYSA-N	322.300	1.476	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cc(C(C)(C)C)n[nH]1)C1CC1	83676744	IPOASMJNVCAMNG-MRVPVSSYSA-N	309.439	1.615	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)nc1C	193288765	COHBVCFCWMZMGE-SSDOTTSWSA-N	312.757	1.175	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccnc(-n2ccnc2)c1	134073665	ZDACULSKYSVAPY-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
O=C(NNS(=O)(=O)c1c[nH]cn1)c1ccc2ccccc2c1	135301451	NXZIEBRAEXKYSM-UHFFFAOYSA-N	316.342	1.186	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@H](c1ccccc1)N1CCSCC1	194953841	WCBDRHJEYAYHLG-ZDUSSCGKSA-N	322.434	1.079	50	20	DDGD	
CC(C)(C)OC(=O)NNS(=O)(=O)c1c(F)cccc1F	192726121	KMFAMKZJMIISTE-UHFFFAOYSA-N	308.306	1.683	50	20	DDGD	
CC[S@@](=O)c1ccccc1C(=O)NNC(=O)c1ccncc1	193528060	GRHKZUZFHHHFCN-JOCHJYFZSA-N	317.370	1.284	50	20	DDGD	
N#Cc1cc(F)c(C(=O)NNc2nc3ccccn3n2)c(F)c1	191923844	HGCLFPQPODVZCC-UHFFFAOYSA-N	314.255	1.636	50	20	DDGD	
CSCCNC(=S)NNC(=O)Cc1cccc(Cl)c1	94120819	QJWCRITZAZIAHZ-UHFFFAOYSA-N	317.867	1.741	50	20	DDGD	
CSCCNC(=S)NNC(=O)C1(Cc2ccccc2)CC1	91821875	YSQVHSJUVXEKDW-UHFFFAOYSA-N	323.487	1.868	50	20	DDGD	
Cn1c(NNC(=O)[C@H]2C[C@H]3CC[C@H]2C3)nc2ccccc2c1=O	247109398	ISBOJWCWPBIIEV-GVXVVHGQSA-N	312.373	1.813	50	20	DDGD	
CC(C)=CC(=O)NCc1ccc(C(=O)NNC(=O)C2CC2)cc1	266243294	PTALNHXNTZBUQR-UHFFFAOYSA-N	315.373	1.440	50	20	DDGD	
CO[C@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccccc1O	266806730	ORDIRUCGRSMANI-YPMHNXCESA-N	307.350	1.294	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccccc1NC(=O)OC(C)(C)C	269657164	VNLAVNFYQZZPKK-UHFFFAOYSA-N	322.365	1.950	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H](C)NC(=O)CC(C)(C)C)n1	279768041	GWGZTYOKZAGBAH-NSHDSACASA-N	320.393	1.092	50	20	DDGD	
NC(=O)NC1(C(=O)NNc2c(Cl)cccc2Cl)CC1	271190004	MPKSHFPYKHZTAR-UHFFFAOYSA-N	303.149	1.637	50	20	DDGD	
CCOC[C@H]1CCCN(C(=O)NNC(=O)c2cccc(C)n2)C1	279610038	FONBBVTUNODPPC-ZDUSSCGKSA-N	320.393	1.493	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)[C@@H]2CCOC2)c1	276985515	RYZGCEGKHOBKQJ-MRVPVSSYSA-N	313.741	1.538	50	20	DDGD	
O=C(C[C@@H]1CCCC(=O)N1)NNc1nccc2sccc12	367659502	UOGASRPZWBUWGJ-VIFPVBQESA-N	304.375	1.798	50	20	DDGD	
COCCO[C@H]1CCN(C(=O)NNC(=O)c2ccccc2C)C1	275908889	DFULUVMHMLIWLN-ZDUSSCGKSA-N	321.377	1.087	50	20	DDGD	
C[C@H](NC(=O)NNc1ncccc1F)c1nnc2n1CCC2	287383054	NPKLLNYQPYSFBR-QMMMGPOBSA-N	305.317	1.146	50	20	DDGD	
O=C(C[C@H](O)c1cccc(F)c1)NNC(=O)NCC(F)(F)F	281181862	JNFSSMQSOREHSY-VIFPVBQESA-N	323.246	1.142	50	20	DDGD	
Cc1ccnc(NNC(=O)c2cncc(-c3cnn(C)c3)c2)c1	378086159	IMTLOZLBSNKKDA-UHFFFAOYSA-N	308.345	1.942	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)[C@@H]1C[C@@]12CCOC2	372017050	VJPYFJREUPEFDX-SWLSCSKDSA-N	323.780	1.597	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1c1ccccc1)c1cccnc1	376087117	XFFPPDRUVLCQNK-OAHLLOKOSA-N	310.357	1.512	50	20	DDGD	
O=C(NNc1ncccc1F)[C@@H]1CCN(CC(F)(F)F)C1	285941190	KJMZPJYCXWGGBG-MRVPVSSYSA-N	306.263	1.548	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cn(CC)nc1C(F)(F)F	281219299	MDHFRANLOBMEOV-UHFFFAOYSA-N	321.328	1.217	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CN(C)C)c(Cl)cc1F	287396981	BHTMDOODGIHNMF-UHFFFAOYSA-N	302.737	1.502	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2nccn2C1)c1c[nH]c2ccccc12	373635880	UCMPKCKNCCUYGY-LLVKDONJSA-N	323.356	1.388	50	20	DDGD	
C[S@@](=O)C1(CNC(=O)NNc2c(F)cccc2F)CCC1	280800209	PZBUSCASEKEDNO-OAQYLSRUSA-N	317.361	1.892	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2=CCCCC2)cc1	282655098	HQTRDSRUEMXAAM-UHFFFAOYSA-N	301.346	1.581	50	20	DDGD	
C[C@H](NC(=O)NNc1ncccc1F)C(=O)N1CCCC[C@H]1C	287703763	FXHKQHCWAMTNSU-MNOVXSKESA-N	323.372	1.636	50	20	DDGD	
COC[C@]1(C)CCN(C(=O)NNC(=O)c2ccccc2OC)C1	296704135	SFYOMNYTHODWFL-MRXNPFEDSA-N	321.377	1.408	50	20	DDGD	
CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)NNC(=O)C(C)(C)C)[C@H]2C1	808268421	MVSQNYAKEQOWMY-AVGNSLFASA-N	324.425	1.010	50	20	DDGD	
N#CC1=CCN(C(=O)c2[nH]cnc2C(=O)c2ccccc2)CC1	807178477	OOKYVGIZSOQLNA-UHFFFAOYSA-N	306.325	1.937	50	20	DDGD	
O=C(NC[C@H]1CCN(C2CC2)C1)NNC(=O)c1ccccc1F	298655017	AORFXJWZMNOTGG-LLVKDONJSA-N	320.368	1.254	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)Cc2ccc(C)o2)cc1	802053982	JLGFAIHFQQOKMG-UHFFFAOYSA-N	303.318	1.992	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H](C)OCC2CC2)cc1	802052650	DAEWLNQDJCVBQM-SNVBAGLBSA-N	307.350	1.663	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)NC2CCCC2)n(C)c1C	800811515	XRZUNLYOMBRZMK-UHFFFAOYSA-N	306.366	1.696	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(CNC(=O)C=C(C)C)cc1	293708155	UISWWSZCPJTJJD-UHFFFAOYSA-N	319.405	1.492	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@@H]2CCCCO2)c1	295360562	JFODBHRBUDMSMI-JSGCOSHPSA-N	306.362	1.479	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1cc(O)ccc1Cl	809992111	IQFPENDXIZZJFX-UHFFFAOYSA-N	319.748	1.919	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1cnn(CCF)c1	807080180	QRKSLOIQJCMCQX-UHFFFAOYSA-N	304.325	1.165	50	20	DDGD	
CC(=O)c1cccc(O[C@H](C)C(=O)NNC(=O)CC(C)C)c1	299321830	DZSHDIWSDPWECM-GFCCVEGCSA-N	306.362	1.850	50	20	DDGD	
C[C@H]1CCCN(C(=O)C(=O)NNc2cnnc3ccccc23)C1	802537642	UFEAGXRGGFOPTO-NSHDSACASA-N	313.361	1.331	50	20	DDGD	
COc1ncc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1Cl	294257710	OLCCQKWAZLEUJQ-XVKPBYJWSA-N	313.741	1.072	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)O1	294185173	JXMWIQSFFDUFKK-WTBMIXGQSA-N	324.327	1.783	50	20	DDGD	
C[C@H]1CSC[C@@H]1NC(=O)NNC(=O)c1cccc(C#N)c1	805066943	DUTAPQNGPMZPRL-CABZTGNLSA-N	304.375	1.254	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cc(C)nnc2C)cc1	802059702	PTPUTBJDOFSZHO-UHFFFAOYSA-N	315.333	1.569	50	20	DDGD	
CC(=O)C1(C(=O)NNC(=O)[C@H](C)Oc2cccc(Cl)c2)CC1	295241102	DXUCVIOVWZNBID-VIFPVBQESA-N	324.764	1.624	50	20	DDGD	
O=C(Cc1cnn(-c2ccccc2)n1)NNc1ncccc1F	804220084	WWNNBRUOBGOGFX-UHFFFAOYSA-N	312.308	1.487	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1	807380072	AWSIXMCJWBRUQX-RRFJBIMHSA-N	322.453	1.581	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cnc(N(C)C)cn1	805383816	PWOVQQZGUVQIRX-UHFFFAOYSA-N	316.321	1.516	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)CC2CCC2)cc1	291087393	CMAUCFWDRPTXFE-UHFFFAOYSA-N	311.407	1.570	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1cc(F)c[nH]1	814719494	QWDFUXKPBHIACU-UHFFFAOYSA-N	307.281	1.002	50	20	DDGD	
COc1ccccc1CC(=O)NN=C(C)C[C@H]1CCC(=O)N1	811639070	NLTZHHPSVKYCBP-CYBMUJFWSA-N	303.362	1.399	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)o1	812730827	YHKROYUEVYAWLR-UHFFFAOYSA-N	323.374	1.595	50	20	DDGD	
CC1(C)CN(C(=O)/C(C#N)=C/c2ccc(F)cc2)C[C@H](CO)O1	817625469	LUFXYCYRAMVSHG-MYWXAZLQSA-N	318.348	1.731	50	20	DDGD	
O=C(NC[C@@H]1C[C@H]2C=C[C@H]1CC2)NNC(=O)[C@@H]1CCCCO1	817171607	KWMGNZFCAOXOFS-XUXIUFHCSA-N	307.394	1.488	50	20	DDGD	
Cn1nncc1NNC(=O)Cc1ccc(Cl)cc1Cl	816770476	ZDDVLIANJYTCNV-UHFFFAOYSA-N	300.149	1.808	50	20	DDGD	
CN(C)c1cc(C(=O)NN=C2COc3cc(F)ccc32)ccn1	814844683	OZPURHUBHZHURX-UHFFFAOYSA-N	314.320	1.813	50	20	DDGD	
Cc1cc(=O)cc(C)n1CCCC(=O)NNc1ncc(F)cn1	810776702	DUEDJWVPJNBAEU-UHFFFAOYSA-N	319.340	1.318	50	20	DDGD	
Cn1nncc1NNC(=O)CCc1ccc(Br)cc1	816769427	HQOUGVSIPAYYSM-UHFFFAOYSA-N	324.182	1.654	50	20	DDGD	
COc1ccc(OC)c(C2=NO[C@H](C(=O)NN(C)C3CC3)C2)c1	819652323	LGEDHQNEQMZLKM-HNNXBMFYSA-N	319.361	1.322	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2CCc3nncn3C2)cccc1[N+](=O)[O-]	815855404	QLZCPVDQYSDOLK-SNVBAGLBSA-N	316.321	1.200	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NN=Cc2ncc(Cl)s2)c1	814882452	PDUZSMNNBBQMSH-UHFFFAOYSA-N	323.765	1.914	50	20	DDGD	
O=C(CCOCC(F)(F)C(F)(F)F)NNC(=O)CC1CC1	819118485	WCADAKPQQBWAEO-UHFFFAOYSA-N	318.242	1.538	50	20	DDGD	
CCc1ccc(C(=O)NNc2ncncc2F)cc1[N+](=O)[O-]	817083371	ITXVSXCRHWCMQU-UHFFFAOYSA-N	305.269	1.843	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2ccc(C(=O)O)cc2)n1	818635754	DIOQEDFBDNQOOU-UHFFFAOYSA-N	317.305	1.010	50	20	DDGD	
CN(NC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1)C1CC1	819654146	YVIRUCMNQPINKK-ZDUSSCGKSA-N	319.380	1.342	50	20	DDGD	
CC1CCN(C[C@H](C)C(=O)NN=Cc2c[nH]c(C(=O)O)c2)CC1	814764845	YRNWMIIQRSUACK-LBPRGKRZSA-N	320.393	1.531	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNC(=O)Cn1ccc2ccccc21	810353880	WKPVFYNXWJYCPV-MRXNPFEDSA-N	301.346	1.116	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)c2ccccn2)ccc1F	729835680	AASIIFFWPNONQZ-UHFFFAOYSA-N	309.322	1.152	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(Cc1ccc(C#N)cc1)C(C)C	827530778	OELUTTUTOUWCOM-UHFFFAOYSA-N	316.405	1.572	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cccc2[nH]ncc12	826447129	OQMPPOXSXHWWMM-UHFFFAOYSA-N	320.316	1.500	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@@H]1CCc2cccnc21	823792686	CINFJGIHKMBNTO-GFCCVEGCSA-N	300.318	1.235	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)Cc1cccnc1	728799180	PJYIBUVXTGENRT-UHFFFAOYSA-N	316.386	1.651	50	20	DDGD	
CCN(CCO)NC(=O)[C@H]1CCCN(CCc2ccccc2)C1	823884998	RLXLSTGDBUEWGT-KRWDZBQOSA-N	319.449	1.287	50	20	DDGD	
CCC(COC)=NNC(=O)NCCNC(=O)OC(C)(C)C	491510152	ZAXZZLYQEUWCPO-UHFFFAOYSA-N	302.375	1.223	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H](C)CC(=O)c1ccc(Cl)cc1	823874284	QBZMNOPSAJGWMB-NSHDSACASA-N	312.797	1.894	50	20	DDGD	
CN(NC(=O)c1ccc2c(c1)nc(O)n2CC1CC1)C1CC1	823250906	KPFXPHBDVKTMSY-UHFFFAOYSA-N	300.362	1.891	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C1CC1)[C@H]1CCc2ccccc21	828151207	PCXPQBBJODIFNJ-INIZCTEOSA-N	315.417	1.942	50	20	DDGD	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)NC1CC1	491085381	QRVLXQHDVHYANY-WEVVVXLNSA-N	302.246	1.689	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(OC)ccc1OC(F)(F)F	825421477	ZQMRMLYLOPMZQE-UHFFFAOYSA-N	321.255	1.558	50	20	DDGD	
CC(C)(C)NCCC(=O)NNc1cc(O)nc2ncccc12	829009351	VRALRGGZSHYKDX-UHFFFAOYSA-N	303.366	1.557	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H](CC)c1ccccc1	823238173	LEUKULYOYQPYTB-KFWWJZLASA-N	302.374	1.919	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1ccc(O)c(C(=O)O)c1	490907712	ILJSRWICPBKYBY-XYOKQWHBSA-N	318.329	1.540	50	20	DDGD	
C[C@H](CC(=O)O)C(=O)NNC(=O)c1cccc2ccccc12	827303745	IVLZPKPZAHEVDZ-SNVBAGLBSA-N	300.314	1.712	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc(C2CC2)nc1O)C1CC1	824446575	NGFIYDZJCMGQGH-MRVPVSSYSA-N	320.418	1.572	50	20	DDGD	
CCCC[C@H](CC)CNC(=S)NNC(=O)c1cccnn1	905535653	BPCSHNLODQHODG-NSHDSACASA-N	309.439	1.802	50	20	DDGD	
COCCOc1ccc(C=NNC(=O)c2cccn2C)cc1	730462920	SMQYRESVSPLLLZ-UHFFFAOYSA-N	301.346	1.814	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)COc1ccccc1Br	823939534	LMNHFXGSOWLZKF-SECBINFHSA-N	317.183	1.172	50	20	DDGD	
CO[C@]1(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)CCOC1	491051553	SPBGPUZUNPRENP-RQPMMQJISA-N	302.330	1.221	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)NNc1cnccn1	495471859	CLLUJNHYDGYZDB-MNOVXSKESA-N	321.381	1.613	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H](O)C(C)(C)C	735836153	CYWSPAUNBAULMP-SKDRFNHKSA-N	312.341	1.147	50	20	DDGD	
O=C(NNC(=O)c1cccc2ncccc12)NOCC1CCC1	824047868	AEASXXLFLVOODQ-UHFFFAOYSA-N	314.345	1.911	50	20	DDGD	
O=C(CSc1nnc(O)nc1O)NN=CC1CCCCC1	730558972	XWJSLWZWJGUGBQ-UHFFFAOYSA-N	311.367	1.057	50	20	DDGD	
Cc1cc(NNC(=O)c2nnn(-c3ccccc3)c2C)nc(C)n1	736719571	XUXCCORWWQFEEQ-UHFFFAOYSA-N	323.360	1.739	50	20	DDGD	
CN(C/C=C/C(=O)NNC(=O)c1ccccc1)CC(F)(F)F	493745522	LFEAKLYHZAOOMG-VMPITWQZSA-N	315.295	1.498	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C(C)(C)c1ccccc1)c1cnccn1	906624256	FASPEVQNAPCCQT-LBPRGKRZSA-N	312.373	1.705	50	20	DDGD	
Cc1ccc(O)c(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)n1	737365793	TYTQSCPRDANGQX-UHFFFAOYSA-N	323.316	1.040	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc(C(=O)OC)c(C)c1	901153543	IRBDSGQEPZLYCQ-UHFFFAOYSA-N	319.405	1.964	50	20	DDGD	
CCS[C@H]1CCC[C@@H](NC(=O)c2cccc(B(O)O)c2)C1	584960900	ORSACKMBBSMDDS-KGLIPLIRSA-N	307.224	1.161	50	20	DDGD	
Cc1nn(C(C)C)c(C)c1NC(=O)c1ccc(B(O)O)c(F)c1	584932802	ROXCQJVMBMXFAP-UHFFFAOYSA-N	319.145	1.152	50	20	DDGD	
O=C(CC[C@@H]1CCCN1)NNc1nc(-c2ccccc2)no1	831899686	ZPYAJTJEGIMTOG-LBPRGKRZSA-N	301.350	1.712	50	20	DDGD	
CC(C)(C=NNC(=O)CN1CCCC1=O)Oc1ccccc1	834933379	OUKCUDHCKXJIQW-UHFFFAOYSA-N	303.362	1.568	50	20	DDGD	
COc1cc(OC)c(C(=O)NNc2cnccn2)cc1OC	734245204	PPZUNUYLUURQQU-UHFFFAOYSA-N	304.306	1.259	50	20	DDGD	
Cn1nc(C(=O)O)cc1C=NNC(=O)C(C)(C)c1ccccc1	901186412	YHMXDHVTXDPAMU-UHFFFAOYSA-N	314.345	1.546	50	20	DDGD	
Cc1nc(CNC(=O)NNC(=O)[C@H]2CCCCO2)sc1C	836334870	SPFTYMITDXZDHL-SNVBAGLBSA-N	312.395	1.159	50	20	DDGD	
COc1ccc(C)cc1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	831062343	JDBXPJFVJQIKLF-WDEREUQCSA-N	307.350	1.581	50	20	DDGD	
CC(C)(NC(=O)O)C(=O)NNC(=O)c1cccc2ccccc12	736336144	CQQVWGOAHWAWBS-UHFFFAOYSA-N	315.329	1.647	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)c1ncon1)O[C@H](C)C2	901285837	MNWWZILXBGDPQV-MRVPVSSYSA-N	302.290	1.166	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)CCc1ccco1	732303269	GALDUPGBEHILCK-UHFFFAOYSA-N	308.359	1.759	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)NNC(=O)c1cccc(Cl)c1	905110726	LKECLVCWCYJSMW-LLVKDONJSA-N	309.753	1.112	50	20	DDGD	
Cc1ccc(C)c(C2=NO[C@@H](C(=O)NNC(=O)NC3CC3)C2)c1	900383033	LWUNBAGLTXNKMU-CQSZACIVSA-N	316.361	1.289	50	20	DDGD	
CON1CCC(=NNC(=O)[C@H](C)CN2CCC(C)CC2)CC1	834932838	KYZLLSAISGGECJ-CQSZACIVSA-N	310.442	1.484	50	20	DDGD	
CC(C)NC(=O)NNS(=O)(=O)c1cccc2cccnc12	734741792	MVHXREOBJQIEDN-UHFFFAOYSA-N	308.363	1.136	50	20	DDGD	
Cc1cccc([C@H]2CCCN2C(=O)c2cccc(B(O)O)c2)n1	584963611	VYEMBEUGXWULFJ-MRXNPFEDSA-N	310.162	1.047	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C2CN(C3CCCCC3)C2)n1	837449652	VTTYNIBYZRPBEJ-UHFFFAOYSA-N	319.409	1.501	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NN(C)c1ccccc1	731499855	LIVJUESJYTXAKV-UHFFFAOYSA-N	314.345	1.691	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCc2ccnn2C)cc1	838552822	DQMFTCMZPCNHFL-UHFFFAOYSA-N	303.366	1.688	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCc2ccn(C)n2)c(F)c1	837205807	FAOQADYJZMZPOI-UHFFFAOYSA-N	320.324	1.422	50	20	DDGD	
C[C@H]1C[C@@H](C)CN([C@@H]2CCCCC2=NNC(=O)NCC(=O)O)C1	833591387	LNHZGRVGAXKSMP-MBNYWOFBSA-N	324.425	1.647	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)O[C@@H]1CCOC1	914306936	BHKILZKCNBGFCT-SECBINFHSA-N	312.347	1.031	50	20	DDGD	
COCCCOCC(=O)NNc1cccc(C(=O)OC)c1F	837061663	PYMYDOCLAPZIOI-UHFFFAOYSA-N	314.313	1.109	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)[C@H]1Cc2ccccc21	742053753	RYAHJJAYXSIOPD-AWEZNQCLSA-N	315.398	1.961	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2ncccn2)cc1	743291724	SZMCLCUPXGUTCB-UHFFFAOYSA-N	302.359	1.338	50	20	DDGD	
CN(C)c1nccc(NNC(=O)CCC(=O)c2cccs2)n1	740118982	ZEURSGHIUSVLMF-UHFFFAOYSA-N	319.390	1.710	50	20	DDGD	
C[C@@H](CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)CC(C)(C)C	917621609	GDSQXQHGYSXPCQ-STQMWFEESA-N	318.483	1.941	50	20	DDGD	
CCN(CC)c1ncc(C=NNC(=O)C(=O)N2CCCC2)s1	748137665	RGGYNSKUJFOYNG-UHFFFAOYSA-N	323.422	1.062	50	20	DDGD	
CCN(CCSC)CC(=O)NNC(=O)c1ccc(F)cc1	830999492	MHZJGCGFVHYALV-UHFFFAOYSA-N	313.398	1.272	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCCCC2)o1)N1CCOCC1	745591135	QAGSJPSMNCDEJC-UHFFFAOYSA-N	306.366	1.646	50	20	DDGD	
Cc1cc(C(=O)OCC(=O)NNC(=O)c2cccs2)c(C)[nH]1	914968358	SRNUAJAODUGZEK-UHFFFAOYSA-N	321.358	1.311	50	20	DDGD	
CC(=O)c1cccc(NC(=O)NNc2ccnc(N(C)C)n2)c1	740017124	YDQHPMXUNNPLRK-UHFFFAOYSA-N	314.349	1.894	50	20	DDGD	
COCCN(C)NC(=O)c1c(C)n(C)c2ccc(OC)cc12	843881680	DFAIILXGHOWRHI-UHFFFAOYSA-N	305.378	1.718	50	20	DDGD	
CC(C)CC(=O)NCCC(=O)NNc1nc2ccccc2n1C	848379027	AQPBNGBGXYUHEL-UHFFFAOYSA-N	317.393	1.569	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(C)C[C@H]2CCCOC2)c1	745984382	QGOXOFHYFVAKLF-CQSZACIVSA-N	319.405	1.114	50	20	DDGD	
NNC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O	841875005	PXGQWTQABQPWAY-VIFPVBQESA-N	303.149	1.272	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1	913685161	FBBOIVWABJBYBY-CUMWXBBOSA-N	311.385	1.916	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)OCC(F)(F)F)c(C)n1	912596319	DCYGNTBWNSGCBQ-UHFFFAOYSA-N	305.256	1.940	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1Cl)N[C@H]1[C@@H]2CNC[C@@H]21	841999566	GAWBKGTUOQYECR-VROVMSAKSA-N	301.177	1.837	50	20	DDGD	
CCOc1cc(C(=O)NNC(=O)C(C)C)cc(Cl)c1O	915776010	OBAWVGLZWMNKHW-UHFFFAOYSA-N	300.742	1.861	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@H]1CC(=O)N(C)C1	840548308	OMZSKAKLXPAWTE-QMMMGPOBSA-N	311.773	1.175	50	20	DDGD	
Cc1n[nH]c(C)c1C=NNC(=O)[C@H]1COc2ccccc2O1	915941664	VFMLNDMEYFQTIR-CQSZACIVSA-N	300.318	1.317	50	20	DDGD	
CC(C)COc1ncccc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843649721	WUCCAKDSCIIAAV-VXGBXAGGSA-N	321.377	1.302	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=Cc1c(F)cccc1Cl	743447469	IYGCCMGGUHUPIH-UHFFFAOYSA-N	324.699	1.373	50	20	DDGD	
NC[C@@H](NC(=O)NNc1ccc(OC(F)F)cc1)C1CC1	841946792	LSGQTVBVJZTETB-LLVKDONJSA-N	300.309	1.651	50	20	DDGD	
CO[C@]1(C=NNC(=O)Nc2ccc3c(c2)OCO3)CCOC1	841640553	NCQUIGVADOXUHH-AWEZNQCLSA-N	307.306	1.328	50	20	DDGD	
Cn1ncc2c1CCCC2=NNC(=O)COc1ccccc1F	915945211	XDGXPSLDWVBPHE-UHFFFAOYSA-N	316.336	1.795	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2ncc(Br)cn2)CO1	847389285	KHDYBOFPHKLYCL-SVRRBLITSA-N	316.159	1.043	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCCc1ccc(O)cc1	749347034	KTYABIPYOUDICF-UHFFFAOYSA-N	305.256	1.218	50	20	DDGD	
NC[C@H]1CC[C@H](NC(=O)NNc2cc(F)c(F)cc2F)C1	842012442	ZGBLJYUZFNDSCF-YUMQZZPRSA-N	302.300	1.857	50	20	DDGD	
O=C(NCc1ccco1)NN=Cc1ccc2c(c1)OCCO2	920825975	YTHJXEROKJOUTB-UHFFFAOYSA-N	301.302	1.884	50	20	DDGD	
C[C@H](CN1CCCCCC1)C(=O)NN=Cc1ccc(O)nc1	841615479	ZHAMIEMUULATIP-CYBMUJFWSA-N	304.394	1.749	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)NC1CCCCC1	921020578	VXJICCTYAUQCSC-YPMHNXCESA-N	313.398	1.234	50	20	DDGD	
CCNC(=O)CCCC(=O)NNc1nc2ccccc2n1C	848380127	ZEXQOROXADATDV-UHFFFAOYSA-N	303.366	1.323	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)O	848588509	URAJTZGXXBAXSD-HMHCLHNZSA-N	323.393	1.254	50	20	DDGD	
CC(=O)NNC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1	756193297	XEKQTISCSPUIOV-UHFFFAOYSA-N	304.346	1.437	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1ccc(O)c([N+](=O)[O-])c1	755164608	XWMJXOOGSZZLDZ-UHFFFAOYSA-N	320.261	1.038	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc3nccnc3c2)nc1	759738853	SLDLGNDAMQGHJE-UHFFFAOYSA-N	323.312	1.568	50	20	DDGD	
CN(C)N(C(=O)c1ccc(C2CC2)cc1)[C@H]1CCS(=O)(=O)C1	854515893	BHEJZGOMPYVGIT-HNNXBMFYSA-N	322.430	1.670	50	20	DDGD	
C=C(C)COc1cccc(NC(=O)NNC(=O)COCC)c1	756327405	SGKQBGNKCQVKHA-UHFFFAOYSA-N	307.350	1.831	50	20	DDGD	
CC(C)(C(=O)NNC(=O)OCC(F)(F)F)c1cccnc1	856021774	LYLLZIDBNKAYRG-UHFFFAOYSA-N	305.256	1.679	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H](O)Cc2ccccc2)C[C@H]1Br	857733461	LBXURIXXRLLELP-OUCADQQQSA-N	312.207	1.880	50	20	DDGD	
O=C(NNc1cc(F)cc(Cl)c1)[C@@H]1CCCCS1(=O)=O	855618651	MDSUKMNJUNCJNB-NSHDSACASA-N	320.773	1.890	50	20	DDGD	
C[C@@H](CCC(C)(C)C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1	754043852	SRCKUTKRNFAKPY-WDEREUQCSA-N	318.439	1.031	50	20	DDGD	
CC(=NNC(=O)Cc1cn2ccccc2n1)c1ccc(O)cc1O	757464668	DVUDDJDQCPMMFE-UHFFFAOYSA-N	324.340	1.828	50	20	DDGD	
O=C(NN=Cc1c(-n2ccnc2)nc2ccccn12)c1ccc[nH]1	755607995	GHHIPMHNHWIRMI-UHFFFAOYSA-N	319.328	1.612	50	20	DDGD	
Cc1cc(CNC(=O)NC[C@@]2(C)C[C@H]2Br)ncn1	856844018	ISTIUBWEGMVLDA-ZYHUDNBSSA-N	313.199	1.758	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)C(=O)Nc1ccccn1)C(C)(C)C	758783989	CABKDNOACVXSIT-JTQLQIEISA-N	321.381	1.033	50	20	DDGD	
CO[C@]1(C)CCCN(C(=O)NNC(=O)c2cccc(F)n2)C1	852710712	VKUJCEBSLPKEIL-CQSZACIVSA-N	310.329	1.076	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2ncoc2C)c1C	853960762	SRYPMSLDQMQOTK-UHFFFAOYSA-N	318.333	1.904	50	20	DDGD	
COc1cccc(NCC(=O)NN=C2CCCN(C)CC2)c1	758098650	DWEIEPHZAZYPJB-UHFFFAOYSA-N	304.394	1.695	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CC2CCC(OC)CC2)nc1	759737503	CVJOMULTIXDMHJ-UHFFFAOYSA-N	321.377	1.907	50	20	DDGD	
CCCOc1cccnc1C(=O)NNC(=O)c1cccc(C#N)c1	758285771	MGHOPQNEZBEMAZ-UHFFFAOYSA-N	324.340	1.817	50	20	DDGD	
Cc1nn(C)cc1C=NNC(=O)[C@@H]1COc2ccccc2O1	755483906	JWTJLDCMEODCCM-AWEZNQCLSA-N	300.318	1.019	50	20	DDGD	
CC[C@](C)(O)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	929352708	ZTBCKINCDCZSMR-LBPRGKRZSA-N	305.161	1.915	50	20	DDGD	
CCCN1CC[C@H](NC(=O)NNC(=O)Cc2ccccc2C)C1	852629450	BPFAIASTYBKQFW-HNNXBMFYSA-N	318.421	1.352	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CCNC(=O)C2CCCCC2)n1	751307483	IEXZBDIUWCMSMN-UHFFFAOYSA-N	319.409	1.623	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)c1ccnc(-n2ccnc2)c1	857531855	DVSJEKDEVXJZOH-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H](CO)C(=O)NNc1ccc(F)cc1	858279822	UNPVNHCSHLOPTA-LLVKDONJSA-N	313.329	1.154	50	20	DDGD	
N#C/C=C(/c1ccccc1)N1CCC(n2cc(C(N)=O)nn2)CC1	859591359	IWDKBUBUXQEKGG-SOFYXZRVSA-N	322.372	1.579	50	20	DDGD	
CCOc1cccc(/C=C\C(=O)NNC(=O)N2CCOCC2)c1	858905984	LZZSVZQXGXADGV-SREVYHEPSA-N	319.361	1.172	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)NCCc1ccoc1	852029117	CXLRAKPWPQKIOK-UHFFFAOYSA-N	317.345	1.622	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)C2CCCC2)cc1	755830946	FMLWMXPSTQRKRB-UHFFFAOYSA-N	305.334	1.816	50	20	DDGD	
O=C(CSC(F)(F)F)NNC(=O)OCC(F)(F)F	856025122	KLLGSHBOGJQCKH-UHFFFAOYSA-N	300.180	1.559	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)c2ccc(C#N)o2)C[C@@H]1Br	856752009	FXSZQEWQMUAZIY-WPRPVWTQSA-N	319.180	1.603	50	20	DDGD	
CCc1ccc([C@H](C)CC(=O)NNC(=O)COCCOC)cc1	869910092	NQCISYKQEXKZFG-CYBMUJFWSA-N	322.405	1.553	50	20	DDGD	
Cc1cccc(NNC(=O)C2CCC(NC(=O)C3CC3)CC2)n1	862520008	AEXRIMIJDNDMCC-UHFFFAOYSA-N	316.405	1.918	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@@H](CO)C1CCOCC1	768427475	GYNIMKMGIQQZEZ-WDEREUQCSA-N	322.243	1.700	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNCC(F)(F)C(F)(F)F	863094828	UUIMHPUVBQTOPY-SSDOTTSWSA-N	308.247	1.246	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H]2CCC(=O)N2)c(C)n1CC(C)C	863146690	UEBAYRMYTLTDBD-CQSZACIVSA-N	304.394	1.490	50	20	DDGD	
Cc1cccc(NNC(=O)C2CN(C(=O)C3CCCCC3)C2)n1	862519839	UCQPKSLIZINELV-UHFFFAOYSA-N	316.405	1.872	50	20	DDGD	
CCn1cc(C(=O)NNc2nccc(OC)n2)c(C2CC2)n1	864822892	HDBPOQGFNDZDED-UHFFFAOYSA-N	302.338	1.336	50	20	DDGD	
CCc1cnccc1C(C)=NNC(=O)C(=O)NC(CC)CC	765578998	WHIPMHWRCAOZPS-UHFFFAOYSA-N	304.394	1.789	50	20	DDGD	
O=C(NN=Cc1cc(O)ccc1Br)c1cnccn1	769797677	XBOGIGDQZYPZCU-UHFFFAOYSA-N	321.134	1.709	50	20	DDGD	
Cc1nc([C@@H]2CCOC2)sc1C(=O)NNC(=O)NC(C)C	865042893	ZXKDFZJOYSWCKD-SECBINFHSA-N	312.395	1.308	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1cc(F)c(N(C)C)cc1F	863122806	NIPOKNNTOJBKIR-KOLCDFICSA-N	311.332	1.906	50	20	DDGD	
Cc1cc(C)n(-c2ccc(COc3ccc(B(O)O)cc3)cc2)n1	864048455	ZQUBHPCXKCPUEA-UHFFFAOYSA-N	322.173	1.748	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2CCCCN2C(=O)C(C)C)n1	862524269	WDYBVUNGLSTQMK-ZDUSSCGKSA-N	304.394	1.870	50	20	DDGD	
COc1ccc(CN(C)[C@@H](C)C(=O)NNC(=O)CC(C)C)cn1	764371467	FIBMGCRDJAYNSB-LBPRGKRZSA-N	322.409	1.104	50	20	DDGD	
O=C(NCCSSCCNC(=O)C(F)F)C(F)F	862277100	OMTIAQWAYLAOOD-UHFFFAOYSA-N	308.322	1.130	50	20	DDGD	
O=C(NNC(=O)[C@@]1(F)CCOC1)Nc1cc(F)cc(F)c1	1117710775	CPGUQPNPBVJZOY-GFCCVEGCSA-N	303.240	1.246	50	20	DDGD	
O=C(COCC1CC1)NNc1cncc(Br)c1	1116389951	SLEGQMOYASPXLK-UHFFFAOYSA-N	300.156	1.714	50	20	DDGD	
COc1ccc2c(c1)CC[C@H](C(=O)NNc1ncc(F)cn1)C2	879318708	YRTLGPGJZMGUOT-LBPRGKRZSA-N	316.336	1.873	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNC(=S)Nc1cccc(C)c1	873776408	HSUKMXWKSSPQFE-UHFFFAOYSA-N	322.434	1.475	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@](C)(CO)Cc1ccccc1OC	870937735	RVKCBGUYXPPNPA-VWILAXROSA-N	318.373	1.549	50	20	DDGD	
O=C(NNC(=O)c1nccs1)c1cc(-c2ccccc2)[nH]n1	770109228	BJGWAQZHMNLZAC-UHFFFAOYSA-N	313.342	1.608	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(Br)c(C)n1	879203323	BHMJMQROBRTOCO-UHFFFAOYSA-N	317.143	1.887	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C)C(C)C	770208333	MSCUMYANKWHTEP-ZFWWWQNUSA-N	322.405	1.889	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc(Br)cc1	872402939	QNJSNCIAGCQGKG-UHFFFAOYSA-N	315.167	1.562	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H](O)C1)c1ccc(Br)s1	873809531	KKQZCPUKIRTTBY-OLQVQODUSA-N	319.180	1.043	50	20	DDGD	
O=C(C[C@H](O)c1ccc(Cl)cc1)NNC(=O)NCC1CC1	772625731	RSAQEJZIFRGRRB-LBPRGKRZSA-N	311.769	1.504	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc2c(c1)CCN2C(C)=O	878082668	DYTJQWGRADHRNS-UHFFFAOYSA-N	306.366	1.210	50	20	DDGD	
CC[C@@H](C)[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)C(F)(F)F	772525782	PIXNZKCADHQZOB-VXNVDRBHSA-N	321.303	1.341	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccc(-n2cnnc2)cc1	772844950	RDTSREDTFUNABF-UHFFFAOYSA-N	323.360	1.938	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H]1CCc2n[nH]cc2C1	772865853	BLMMBHXGEFROQW-SNVBAGLBSA-N	300.366	1.571	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)c1cn(C2CCOCC2)nn1	1117640882	FACGWCWEOBMDPM-UHFFFAOYSA-N	322.756	1.435	50	20	DDGD	
C[C@H](CC(=O)NNc1nc(O)c2cnn(C)c2n1)CC(C)(C)C	770975005	SIZZRVVAMOESGR-SECBINFHSA-N	320.397	1.974	50	20	DDGD	
CCOc1cncc(C=NNC(=O)c2n[nH]c3c2CCCC3)c1	1118826660	CSCZJRGRUSFOSM-UHFFFAOYSA-N	313.361	1.846	50	20	DDGD	
N#CSCCCNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1	773586245	SNDAZDVZKNEJNS-QMMMGPOBSA-N	309.313	1.118	50	20	DDGD	
COc1cc(C(=O)NN=C2CCO[C@@H](C)C2)cc(OC)c1OC	773187892	QOLQCYVETFCLHI-JTQLQIEISA-N	322.361	1.997	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cnc(O)c([N+](=O)[O-])c1	776343100	CKGHSQPYFXDKMG-UHFFFAOYSA-N	319.233	1.361	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2nc(C)cc(C)n2)c(F)c1	771991970	LHBSBBREHPNWHM-UHFFFAOYSA-N	318.308	1.776	50	20	DDGD	
COCc1cccc(CC(=O)NNC(=O)c2ccccc2F)c1	777412862	WHLSKGKMGCVKOH-UHFFFAOYSA-N	316.332	1.976	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(N2CCCC2=O)cc1	887139105	ACYQFNXBTUCWJY-UHFFFAOYSA-N	313.357	1.378	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNc1cc(F)ccc1F	885144668	IBLLCSWJBVFJSO-UHFFFAOYSA-N	301.293	1.933	50	20	DDGD	
Nc1ncc(C=NNC(=O)c2cc3ccccc3cc2O)cn1	781572800	WLQFMRNEQJVNPM-UHFFFAOYSA-N	307.313	1.682	50	20	DDGD	
C[C@@H]1CCCC[C@H]1OCCNS(=O)(=O)CBr	782417850	JPCDVYYSIZBTFI-NXEZZACHSA-N	314.245	1.854	50	20	DDGD	
COc1cccc(C(=O)NNc2ccc(-n3ccnc3)nn2)c1	788177460	JSJKZARGEXKVEB-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
Cn1nc([C@@H]2CCCO2)cc1NC(=O)NN=c1cc[nH]cc1	788723159	CZAJQAHHQYFTMD-LBPRGKRZSA-N	302.338	1.237	50	20	DDGD	
N#Cc1ccc(NNC(=O)NC2CCN(C3CC3)CC2)nc1	887660448	LKYHTOKMZFKNFN-UHFFFAOYSA-N	300.366	1.206	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2cccc(O)n2)c1	785684380	LBNHTCLKMWVYBZ-UHFFFAOYSA-N	315.329	1.244	50	20	DDGD	
CC(C)C(C)(C)C(=O)OCC(=O)NNC(=O)c1ccccc1	784328705	GQPAVPLITAFOGW-UHFFFAOYSA-N	306.362	1.673	50	20	DDGD	
O=C(Cc1ccncc1)NN=C1CCC(=O)Nc2ccccc21	783848264	FNYMBLCBMCAWKC-UHFFFAOYSA-N	308.341	1.877	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc(-c2cccnc2)on1	899991994	IMPNHPCTLQDMPJ-UHFFFAOYSA-N	319.390	1.644	50	20	DDGD	
Cc1ncccc1NC(=O)C(=O)NNc1cc(Cl)ccn1	784856521	PNTWFNQOIVGBCF-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)NCc1ccc(Cl)cc1)C(C)C	787431683	OBJFZKBCLOILSF-LBPRGKRZSA-N	313.785	1.841	50	20	DDGD	
O=C(CC1OCCO1)NNC(=O)c1cc2c(s1)CCCCC2	788622866	CMONQYDSCLBQGD-UHFFFAOYSA-N	324.402	1.541	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2ccc(F)cc2Cl)C(=O)O1	896383915	WQPDOZJEKUTEER-QUBYGPBYSA-N	301.705	1.809	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)NNc1nc(C(F)(F)F)cs1	896315393	UCIFRILNBFHGDT-ZCFIWIBFSA-N	322.312	1.616	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cc(C)nc2ccccc12)N(C)C	799009288	SFEZDYAQTDZXIH-OAHLLOKOSA-N	314.389	1.644	50	20	DDGD	
CCOc1ccc(C(=O)NN=C2C(=O)OC[C@H]2C)cc1OC	794877390	GERCEIAEPAURLL-SECBINFHSA-N	306.318	1.373	50	20	DDGD	
O=C1CC[C@H]2CN(C[C@H](CBr)C3CC3)CCN12	701837321	GLYYMZKFMYWHIH-RYUDHWBXSA-N	301.228	1.714	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNc1nc2ccccc2c(=O)n1C	793500982	XABXPZCHQLUICE-MFKMUULPSA-N	318.377	1.438	50	20	DDGD	
N#C/C(=C\c1cc(F)ccc1Br)S(N)(=O)=O	799894174	OXCOUTQKZIZHSM-XBXARRHUSA-N	305.128	1.741	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C(C)(C)C(F)F)cc1	792015546	CBYJHJGYYDVITH-UHFFFAOYSA-N	300.305	1.813	50	20	DDGD	
O=C(CCSCc1ccccc1)NNC(=O)Cc1cc[nH]n1	792144158	CBELXPRPLLVCQS-UHFFFAOYSA-N	318.402	1.423	50	20	DDGD	
COc1ncc(NC(=O)NNc2ncccc2C)cc1C(N)=O	792328352	WPFMBQFFIZKDQJ-UHFFFAOYSA-N	316.321	1.041	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)[C@H]1CCCN(C(N)=O)C1	799756057	XDGKCBROQMKKHI-ZDUSSCGKSA-N	304.394	1.791	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1ccncc1)c1ccc(F)c(F)c1	1319334464	UZQOFJZJGTWLOV-JTQLQIEISA-N	319.311	1.853	50	20	DDGD	
COC(=O)c1cccc(/C=C(\C#N)S(=O)(=O)NC2CC2)c1	1325018229	YXAWONVIOAHDRX-MDWZMJQESA-N	306.343	1.419	50	20	DDGD	
O=C(CO[C@H]1CCOC1)NNc1nc(C(F)(F)F)cs1	1322472499	LADPBNOQKPBJHL-LURJTMIESA-N	311.285	1.411	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCc1nc2ccccc2s1	1328338234	FPZKNRIZWGQSHB-UHFFFAOYSA-N	308.432	1.696	50	20	DDGD	
CS[C@@H]1CC[C@@H](N(C)CC(=O)NNC(=O)c2ccccc2)C1	1320108655	NGOALXVADJTHQR-ZIAGYGMSSA-N	321.446	1.664	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1cccc(Oc2ccncc2)c1	1320281008	YTSDRBJMPHJETG-UHFFFAOYSA-N	316.317	1.409	50	20	DDGD	
C=CCSCCNC(=O)NNc1nncc(N)c1Cl	1323605052	DINHNDIZVWXIBX-UHFFFAOYSA-N	302.791	1.258	50	20	DDGD	
Nc1cnnc(NNC(=O)CCC(=O)c2ccccc2)c1Cl	1322679410	JWAOZPRDFHPNDD-UHFFFAOYSA-N	319.752	1.818	50	20	DDGD	
COC(=O)c1ccc(C(C)=NNC(=O)C2CCOCC2)cc1	1331360030	HPAORHKWDVHWRQ-UHFFFAOYSA-N	304.346	1.740	50	20	DDGD	
O=C(NNC(=O)C1(Oc2ccccc2)CC1)C1CCOCC1	1334327686	TWGMOEKSPOOPFO-UHFFFAOYSA-N	304.346	1.172	50	20	DDGD	
CCOC(=O)C[C@@H]1CCCN1S(=O)(=O)CBr	1338402456	BPUIKKUEWQUBSO-QMMMGPOBSA-N	314.201	1.086	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCCCn2ccnc2)c1	1331059799	UYQVBYGWPZFYBD-UHFFFAOYSA-N	321.406	1.677	50	20	DDGD	
CC(C)(C)NCC(=O)NNC(=S)NCCc1cccs1	1330716151	FSUWALOVLFMXPM-UHFFFAOYSA-N	314.480	1.174	50	20	DDGD	
O=C(NCCC(F)F)NNC(=O)c1nc2ccccc2s1	1263152549	MESWXKJMWYTIDK-UHFFFAOYSA-N	314.317	1.896	50	20	DDGD	
Cn1nncc1NNC(=O)c1nc(C2CC2)n(-c2ccccc2)n1	1261773064	ROBLBGOUTFGTNM-UHFFFAOYSA-N	324.348	1.030	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@]1(c2ccccc2)CC1(C)C	1347918669	VUZAUIQWGSSVRR-XAYKYTGQSA-N	316.401	1.927	50	20	DDGD	
CN1C(=O)C[C@@H](C(=O)NNc2ncc(F)cn2)c2ccccc21	1341308599	NKXIFTSGTQGVGV-LLVKDONJSA-N	315.308	1.209	50	20	DDGD	
C[C@]1(COC(=O)c2cn(C3CC3)nn2)C[C@@H]1Br	1263537758	XPISMKHLIKHUEV-GXSJLCMTSA-N	300.156	1.943	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H](c2cnn(C)c2)C(C)C)nc1	1344548273	NJDSFTYGXNOOHA-CQSZACIVSA-N	318.381	1.847	50	20	DDGD	
CC1(C)C[C@H](C(=O)NNc2ccc(-n3ccnc3)nn2)CCO1	1358227306	GRNYUHSBAOYFFJ-LLVKDONJSA-N	316.365	1.311	50	20	DDGD	
O=C(Cn1cc(Cl)cn1)NNc1cccc(F)c1C(=O)O	1601383697	PWKDGNNZLAZBAQ-UHFFFAOYSA-N	312.688	1.517	50	20	DDGD	
O=C(NN=Cc1cccc(-c2nn[nH]n2)c1)c1ccccc1O	1606849767	XRFRYMCDMGAJGF-UHFFFAOYSA-N	308.301	1.336	50	20	DDGD	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)c1ccc(Cl)cc1F	1605023590	VKKRMAOWGMCFRD-UANNBLPKSA-N	314.700	1.351	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1cc2n(n1)CCC[C@H]2O	1608483106	RTNDCLBBJCOKCS-CYBMUJFWSA-N	316.317	1.165	50	20	DDGD	
CN(C)N(C(=O)[C@@H]1CCCOC1)c1nc(CC(=O)O)cs1	1606037589	UKEICRNOGAEICN-SECBINFHSA-N	313.379	1.006	50	20	DDGD	
Cc1nn(C)cc1CC(=O)NNc1ccc(C(=O)O)cc1F	1600776152	REUKFNJQERAULT-UHFFFAOYSA-N	306.297	1.252	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc(C(=O)O)nc1	1605223621	HSWPBPSFQPBGGV-UHFFFAOYSA-N	316.273	1.753	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1cccc(C(=O)O)c1)[C@H]1CCCO1	1602673713	JMBXTJKYFWCONH-CHWSQXEVSA-N	303.318	1.192	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2cccc(CO)c2)cc1	1608781682	PQUKMFPTEFIOJL-UHFFFAOYSA-N	300.314	1.563	50	20	DDGD	
COC(=O)C12CC(C(=O)NNc3ccccc3C(=O)O)(C1)C2	1606357945	ZTUOLQBOKVLELW-UHFFFAOYSA-N	304.302	1.171	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C23CCC(C(=O)O)(CC2)CC3)n1	1600182897	MSFHNDURECLMGV-UHFFFAOYSA-N	318.377	1.962	50	20	DDGD	
COC[C@H](C)C(C)=NNC(=O)[C@H]1CCCO[C@@H]1c1ccnn1C	1549322646	ZXUZUPUZFVDMGO-WHOFXGATSA-N	322.409	1.662	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@H]1C[C@]12CCOC2	1610288215	YPAIIVAPGVEKNO-BONVTDFDSA-N	306.318	1.263	50	20	DDGD	
Cn1cc(C(=O)NN=C2CCC[C@@H](CCCC(=O)O)C2)cn1	1610600529	WUPPCLZNGOBIDS-NSHDSACASA-N	306.366	1.951	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C[C@H]1CCCO[C@@H]1c1ccnn1C	1552452630	GENASGWNMJOOAB-XFMPKHEZSA-N	320.393	1.415	50	20	DDGD	
Cn1cc([C@H]2OCCC[C@H]2C=NNC(=O)c2ccon2)cn1	1553288369	ZGWAWXWOXGLSNK-GWCFXTLKSA-N	303.322	1.292	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)[C@H](CC)NC)cc1OC	1577583441	QTGWRATXAHEBIP-LBPRGKRZSA-N	323.393	1.243	50	20	DDGD	
C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](F)Cl)CC1	1831321577	ZFGRMVWQENDXST-TZMCWYRMSA-N	314.788	1.774	50	20	DDGD	
Nc1ccc(C(=O)NNC(=O)c2cccc(F)n2)c(Cl)c1	1580439285	CFFSUYKZOYFUNB-UHFFFAOYSA-N	308.700	1.531	50	20	DDGD	
CCCC(=O)N1CCCC12CN(C(=O)[C@H](Cl)COC)C2	1842658901	RPGGFPXEZUFGJW-LLVKDONJSA-N	302.802	1.244	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccnc(F)c1F	1593165634	WEDGQMWCHXUKAP-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C2(C(=O)O)CCCCC2)n1	1594057773	MMJTUSZTNRYEEW-UHFFFAOYSA-N	308.338	1.272	50	20	DDGD	
CC(C)(C)OCC(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1841844617	OLAXOMLUYONAOR-NSHDSACASA-N	320.792	1.539	50	20	DDGD	
C[C@@H](Cn1cccn1)NC(=O)NNc1ccc(C(=O)O)cc1F	1592926769	YRVRABBOXCIJFJ-VIFPVBQESA-N	321.312	1.435	50	20	DDGD	
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1cccc(C(=O)O)c1F	1596678006	VJVGAUDJZFPTEU-DTWKUNHWSA-N	324.308	1.556	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)C1=Cc2ccccc2OC1	1594781996	NIAMXKANWTUNTJ-UHFFFAOYSA-N	311.297	1.699	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)CC(=O)O)cc1	1592426541	VUQOHDSITAHWSU-GJSJWPQCSA-N	302.330	1.972	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H](O)C1CCCCC1	1593162234	QHXOWYPQJJDVOH-CYBMUJFWSA-N	316.365	1.251	50	20	DDGD	
COc1cccc([C@H](NNC(=O)[C@@H]2CCCCO2)C(=O)O)c1	1599661228	ZVICBZUAQHGFQM-STQMWFEESA-N	308.334	1.011	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@@H]1CC12CCSCC2	1595262332	ZEDPOBCYSGZNQH-JTQLQIEISA-N	307.375	1.756	50	20	DDGD	
COc1cc(C=NNC(=O)Cc2ccccn2)ccc1C(=O)O	1776043590	ZTXSPJAJWCPWGE-UHFFFAOYSA-N	313.313	1.481	50	20	DDGD	
O=C(NN=Cc1csc(C(=O)O)c1)c1ccc(O)c(O)c1	1776058490	KZOSJCIUQLCTLU-UHFFFAOYSA-N	306.299	1.621	50	20	DDGD	
O=C(NN=Cc1ccc2oc(C(=O)O)cc2c1)c1cnccn1	1776029334	HTCMLCCKFHXRGM-UHFFFAOYSA-N	310.269	1.685	50	20	DDGD	
O=C(NN=Cc1c[nH]c(C(=O)O)c1)c1cn2c(n1)CCCC2	1776105360	AXPPWLSWOXSFAF-UHFFFAOYSA-N	301.306	1.010	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccno1)[C@@H](F)Cl	1795100559	VNKDMXWDZZCTJG-PKIKSRDPSA-N	315.732	1.461	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnoc1)[C@H](F)Cl	1796989644	SWTBWGAGDNHNQM-VLEAKVRGSA-N	315.732	1.461	50	20	DDGD	
O=C(CC1(C(=O)O)CCCCC1)NNC(=O)c1ccccn1	16482122	FMWCFNQYDZREHG-UHFFFAOYSA-N	305.334	1.268	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)CC2(CS(C)(=O)=O)CC2)c1	158670156	FLVQKURCUNIVPY-UHFFFAOYSA-N	310.419	1.961	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)C[C@H]1CCS(=O)(=O)C1	160913125	IWCIRUWRNVAXCI-SNVBAGLBSA-N	300.355	1.402	50	20	DDGD	
COc1cc(C(=O)NN)cc(OC)c1OCc1ccccc1	167310294	NDHXKTJBOMLFOC-UHFFFAOYSA-N	302.330	1.886	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCCC(=O)NC)c1ccccc1	153219741	DVKCFRJTOVTXFI-CYBMUJFWSA-N	305.378	1.244	50	20	DDGD	
CN(C)c1ccc(NC(=O)C(=O)NNc2ccccc2F)cc1	155574645	GRNOYZACZVBSAP-UHFFFAOYSA-N	316.336	1.974	50	20	DDGD	
O=C(NNc1ccncc1Cl)c1ccc2c(c1)C(=O)NC2=O	154714934	RMDBXIYFQIWEFR-UHFFFAOYSA-N	316.704	1.376	50	20	DDGD	
CN(CCI)Cc1nnc2n1CCC2	759383651	OLLITAQAIDXSQT-UHFFFAOYSA-N	306.151	1.091	50	20	DDGD	
CC(C)CNC(=O)NNC(=O)Cc1nc2ccccc2n1C	54036255	XNHDIEJPIJYXTG-UHFFFAOYSA-N	303.366	1.102	50	20	DDGD	
Cc1ccc(C)c(SCC(=O)NNC(=O)Cc2cc[nH]n2)c1	106417800	XBSSZLNSLHPMGQ-UHFFFAOYSA-N	318.402	1.509	50	20	DDGD	
COCCCCCNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	57648447	XOHJLUAQJMODLZ-UHFFFAOYSA-N	324.337	1.356	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)c2ccccn2)o1	55527919	YBFFICKPHJGMCQ-UHFFFAOYSA-N	316.361	1.591	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)C1CC1	57128123	WFDTUJPXYQWHPB-OAHLLOKOSA-N	301.390	1.456	50	20	DDGD	
COC[C@@H](C)CNC(=O)NNC(=O)Cn1ccc2ccccc21	170923935	JIMQVKPJJGDOBY-LBPRGKRZSA-N	318.377	1.254	50	20	DDGD	
C[C@@H](Cc1ccc(F)cc1)C(=O)NNC(=O)c1cnn(C)c1	117682407	ADFFIFDNLIFPNO-JTQLQIEISA-N	304.325	1.199	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@](C)(O)[C@H](C)c2ccccc2)n1	174973647	BAZJZHGGORVMNB-BZNIZROVSA-N	316.361	1.483	50	20	DDGD	
CC(=O)Nc1ccc(F)c(C(=O)NNC(=O)NCC2CC2)c1	65191602	XAXKHJWJKMMBCE-UHFFFAOYSA-N	308.313	1.138	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)CCc2ccc(F)cc2)n1	25448979	JQJBMNMNHYELTI-UHFFFAOYSA-N	318.352	1.419	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	69334316	BVTLVLIHAYETSA-LLVKDONJSA-N	320.345	1.200	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)c1cn2ccccc2n1	61478875	DFXKDSAYRRURQN-UHFFFAOYSA-N	324.340	1.564	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1c[nH]c(C)cc1=O	174468910	TWCALLGQEPEMDA-UHFFFAOYSA-N	304.258	1.819	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	180967901	WIGPAVVIXAEVFH-UHFFFAOYSA-N	322.752	1.344	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2ccncc2C)n1	188293969	DYHMCPNRHVFEOL-UHFFFAOYSA-N	302.338	1.323	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc(C(=O)OC)cc1	213135730	RRBDQFLIBRXDNO-UVTDQMKNSA-N	302.330	1.533	50	20	DDGD	
COc1nccnc1NNC(=O)c1noc2c1CCCCC2	121742922	SVQALJLNSDIISS-UHFFFAOYSA-N	303.322	1.499	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)Cn1cc(C2CC2)nn1	123994405	MPNXGWQFJLZAAJ-UHFFFAOYSA-N	314.349	1.317	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1cnc2ccc(F)cc2c1	186083303	GMUJEBTWLNQYFV-UHFFFAOYSA-N	313.292	1.101	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)c1cccn1C	184672754	DOYWRHWMZCSLLF-OCCSQVGLSA-N	307.394	1.772	50	20	DDGD	
CCC(CC)[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccc[nH]2)CCO1	183747443	UGFIDGSPSRYIQB-GXTWGEPZSA-N	322.409	1.943	50	20	DDGD	
C[C@@H](OC1CCCCCC1)C(=O)NNc1nccn(C)c1=O	133740199	GAUMRQUFXKWPNZ-LLVKDONJSA-N	308.382	1.351	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cn1	198867510	BUYZWVSOGGEFIZ-LLVKDONJSA-N	317.320	1.758	50	20	DDGD	
COC(=O)NNC(=O)C1(c2ccc(Br)cc2)CC1	192546669	ZMSKFXIBYKREKU-UHFFFAOYSA-N	313.151	1.868	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNc1nc2ccccn2n1	191913276	DUHSGUKFCKDUAO-UHFFFAOYSA-N	308.301	1.123	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1ccccc1)c1ccc(Cl)cc1F	82991360	HPAZJFMKNDDLHL-ZDUSSCGKSA-N	322.723	1.974	50	20	DDGD	
O=C(NNC(=O)c1ccn(-c2ccccc2)n1)c1ccncc1	193075087	QXGDBTLUSHGBLX-UHFFFAOYSA-N	307.313	1.342	50	20	DDGD	
CN(C)c1nc2cc(NC(=O)NNc3cnccn3)ccc2o1	92930005	SHDVDJYIVYBQGC-UHFFFAOYSA-N	313.321	1.832	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)NC2CC2)cc1[N+](=O)[O-]	143284156	DDBKBYJIVLIFDJ-UHFFFAOYSA-N	320.349	1.999	50	20	DDGD	
CN(C(=O)C1CC1)c1ccccc1C(=O)NNC(=O)C(C)(C)C	97682128	BKVKYEBIXVYMAZ-UHFFFAOYSA-N	317.389	1.867	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)/C=C\c1ccc(Cl)s1	255369451	KLOVBNUFAXPBEJ-XQRVVYSFSA-N	315.782	1.087	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)c2cccc3ncccc23)O1	268198172	TVGPIJVTLOHRTD-ABAIWWIYSA-N	313.357	1.953	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)Cn2cnc3ccccc32)O1	268316639	JLMWNACFWLQDHO-RISCZKNCSA-N	316.361	1.141	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1cccc([N+](=O)[O-])c1C	269626721	VNIWQULTCJVPIC-NSHDSACASA-N	311.338	1.788	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NCC2(C)CCCCC2)n1	268116352	KRSSMWPAFYEYPT-UHFFFAOYSA-N	321.425	1.801	50	20	DDGD	
CCc1ccc([C@H](COC)NC(=O)NNc2ncccn2)o1	266776597	KQJMVTKJMDRUHB-NSHDSACASA-N	305.338	1.646	50	20	DDGD	
CCCCN(C(=O)/C(C#N)=C/OCC)[C@H]1CCS(=O)(=O)C1	269502933	XNCJPHNDZRVIBR-XSNHNAGMSA-N	314.407	1.246	50	20	DDGD	
COc1cccc([C@H](C)CC(=O)NNc2nccn(C)c2=O)c1	267832435	WRXBTSYLGYCRIK-LLVKDONJSA-N	316.361	1.426	50	20	DDGD	
CO[C@@H](C)CCNC(=O)NNC(=O)COc1ccc(C)cc1	263820412	XYAPWUVYBWRAQW-LBPRGKRZSA-N	309.366	1.129	50	20	DDGD	
O=C(NNC(=O)N1CCC([C@@H]2CCOC2)CC1)c1ccccc1	368170003	ZMSVOVDRONBIGV-OAHLLOKOSA-N	317.389	1.790	50	20	DDGD	
CCCc1nnc(NC(=O)NNC(=O)c2ccncc2)s1	273419113	MFKGQLHKNKJUEE-UHFFFAOYSA-N	306.351	1.352	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H](C)c2c(C)n[nH]c2C)n1	279764597	GEEUIOJGKIWOBB-SECBINFHSA-N	301.350	1.295	50	20	DDGD	
CC(C)[C@H]1C[C@@H](NC(=O)NNC(=O)Cc2cccnc2)CCO1	271535743	OVIKCOXADPWYQU-UONOGXRCSA-N	320.393	1.158	50	20	DDGD	
CSSCCNC(=O)N1CCC[C@@H]1CN1CCOCC1	367920740	KRRXWXSMOZSGHU-GFCCVEGCSA-N	319.496	1.504	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])c(OC)c1	271357539	MPDWVXSZKLAVDO-OGGBREFQSA-N	319.317	1.661	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H](C)OC[C@H]2CCCCO2)n1	279818303	PCFVOHCMNIOGOJ-CHWSQXEVSA-N	321.377	1.125	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(OC)c(NC(C)=O)c1	273306522	GTKOMZXASJUZJJ-VIFPVBQESA-N	322.365	1.852	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2ccc(C)nn2)[C@]12CCCO2	273743967	VANWFGWBUOOAMB-LALPHHSUSA-N	321.381	1.138	50	20	DDGD	
C[C@@H]1CCC[C@H](NC(=O)NNc2ccc(-n3ccnc3)nn2)C1	286468426	BKRMZGVNEMWCCY-NEPJUHHUSA-N	315.381	1.867	50	20	DDGD	
CO[C@@H]1CCC[C@H](CC(=O)NNC(=S)Nc2ccccn2)C1	280743307	KFGWAINJKLGUCC-NWDGAFQWSA-N	322.434	1.995	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NNC(=O)c1ccccc1O	281660055	XUBSBMLEQNJVOF-RISCZKNCSA-N	319.361	1.317	50	20	DDGD	
CO[C@@H]1CCN(C(=O)NNC(=O)c2ccc(C#N)cc2)[C@@H](C)C1	281965978	VLAUWLZLYDFUHB-SMDDNHRTSA-N	316.361	1.412	50	20	DDGD	
CCN(CC(=O)NNC(=O)Nc1cccc(Cl)c1)C1CC1	283756895	MCWWFGCSYYJKMQ-UHFFFAOYSA-N	310.785	1.977	50	20	DDGD	
Cc1nn(C)c(C)c1-c1cc(C(=O)NCC(Cl)Cl)[nH]n1	288126173	DJOMMUAXEQYTEM-UHFFFAOYSA-N	316.192	1.961	50	20	DDGD	
O=C(NNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]21)c1ccc(Cl)cc1	289366610	NPUJODTYTRWZTC-CYZMBNFOSA-N	324.764	1.153	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)c1cnn(CCF)c1	806856972	LEARBBVRAWGADO-UHFFFAOYSA-N	300.297	1.553	50	20	DDGD	
O=C(NNC(=O)N[C@@H]1CCCOC1)Nc1cccc(Cl)c1	296526497	UJJFPKKIXUKIOF-LLVKDONJSA-N	312.757	1.855	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCNC(=O)C(C)(C)C	299645270	YTPAALDSNJYFPF-UHFFFAOYSA-N	320.393	1.101	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1sccc1Cl	803769489	QYRPBRUVLCFKRL-ZCFIWIBFSA-N	304.755	1.504	50	20	DDGD	
CN(C)c1nc(CNC(=O)NNc2ncccc2F)cs1	805168917	POEFKFSJCLGYBG-UHFFFAOYSA-N	310.358	1.570	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cnc(O)c(Br)c1	294310134	XPWROFWQJGFOGM-UHFFFAOYSA-N	314.139	1.111	50	20	DDGD	
CC[C@@](O)(C(=O)NNC(=O)CC1CC1)c1cccc(Cl)c1	294159193	MXRZBOHRWJZRMV-HNNXBMFYSA-N	310.781	1.885	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)o1	802096404	PDCZKASHYCUNML-UHFFFAOYSA-N	318.289	1.487	50	20	DDGD	
CC1CCN(CCCCNC(=O)NNc2ncncc2F)CC1	292956424	JYCLPPKZWNBEOJ-UHFFFAOYSA-N	324.404	1.754	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F)C1CC1	290967557	OGABKKHXILYZTI-QLJPJBMISA-N	324.352	1.556	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2[nH]nnc2C)c(Cl)c1	802049871	VTJWMAJEWPKHBQ-UHFFFAOYSA-N	308.729	1.541	50	20	DDGD	
Nc1ccc(C=NNC(=O)c2cnn(-c3ccccc3)c2)cn1	807971366	SFCCWPMXLRFDQS-UHFFFAOYSA-N	306.329	1.613	50	20	DDGD	
Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)NN(C)C1CC1	819648196	XGLDXGYKJAJSIY-UHFFFAOYSA-N	301.394	1.561	50	20	DDGD	
CSc1ccc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)s1	814781365	GQPYANQHTKCXNP-MRVPVSSYSA-N	318.445	1.355	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)Cc2ccn(C)n2)cc1C	812724019	RQNKIQJPHGYVMY-UHFFFAOYSA-N	316.361	1.591	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=C[C@@H]2CCCOC2)C[C@@H](C)O1	814766271	GTHHLSSLVQJENU-XQLPTFJDSA-N	311.426	1.260	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1ccccc1O[C@H]1CC(=O)N1	817708285	WJYCSJMYCPBAPB-CMUBDUJZSA-N	301.302	1.294	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cccc(CO)c2)c1	813511306	INYDNJHUKBFVML-UHFFFAOYSA-N	300.314	1.722	50	20	DDGD	
CC(C)n1cncc1C=NNC(=O)[C@@H]1COc2ccccc2O1	819801921	VGTPQVNJZXYIGF-HNNXBMFYSA-N	314.345	1.754	50	20	DDGD	
CC(=NNC(=O)N=c1cc[nH]cc1)c1ccc(-n2cncn2)cc1	815001190	XYUIHDAJWSJLTE-UHFFFAOYSA-N	321.344	1.630	50	20	DDGD	
CSCCNC(=O)NNC(=O)COc1cc(C)cc(C)c1	726279790	YNUXAFOIWZIXAW-UHFFFAOYSA-N	311.407	1.376	50	20	DDGD	
Cc1cn2c(C=NNC(=O)Cc3cc[nH]n3)c(C)nc2s1	814954411	FTLDYMRQOAMAOB-UHFFFAOYSA-N	302.363	1.429	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)c1c(C)nc2ccccn12)OC	811851508	GWZKHFYYHUGZGZ-LLVKDONJSA-N	319.365	1.012	50	20	DDGD	
COc1cnc2ccccc2c1C(=O)NNc1ncncc1F	817079819	MGGOGNIAPCUGIU-UHFFFAOYSA-N	313.292	1.929	50	20	DDGD	
NC(=O)COc1ccc(C(=O)NNc2cccc(Cl)n2)cc1	817011453	VBFNJILEZRGMQL-UHFFFAOYSA-N	320.736	1.356	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@H](c2ccccc2)[C@@H]1C	828020460	JNLFWWYPSFVKOJ-ZFWWWQNUSA-N	303.406	1.668	50	20	DDGD	
CCOC[C@H]1CCCCN1C(=O)/C(C#N)=C\c1cnn(C)c1	491013286	TZCRBWXMYBSTPQ-CKNOQMABSA-N	302.378	1.745	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)Cc2ccco2)o1	820202850	MZGSQLMQLBHLES-UHFFFAOYSA-N	317.309	1.257	50	20	DDGD	
Cc1cc(NNC(=O)C(C)(C)c2ccc(F)cc2)nc(N)n1	828367270	LTWCJHUJOCBRFV-UHFFFAOYSA-N	303.341	1.927	50	20	DDGD	
C[C@@H]1C[C@H]1C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1	726862263	HPMATQPAIVZLGE-NOZJJQNGSA-N	309.391	1.226	50	20	DDGD	
Cc1cc(NNC(=O)CN(C(=O)OC(C)(C)C)C2CC2)ncn1	493831885	NDKFPJGNPCZPTH-UHFFFAOYSA-N	321.381	1.628	50	20	DDGD	
Cc1cc(/C=C(\C#N)C(=O)NOCCO)c(C)n1CC(C)C	490971390	IVWDDFSNYMLFAG-OVCLIPMQSA-N	305.378	1.708	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cnn(C)c2C)c2ccccc2n1	822232365	FPSRSBJLZXNJDH-UHFFFAOYSA-N	323.356	1.660	50	20	DDGD	
CC(=NNC(=O)CC(C)C)c1ccc(-c2nn[nH]n2)cc1F	823948406	LBIVCECAZVBCOZ-UHFFFAOYSA-N	304.329	1.892	50	20	DDGD	
O=C(CSC1CC1)NNC(=O)Cn1ccc2ccccc21	823130455	XRPSEZSZPJGKFR-UHFFFAOYSA-N	303.387	1.684	50	20	DDGD	
C[C@@H]1CN(c2ccc(NC(=O)NN(C)C3CC3)cn2)C[C@@H](C)O1	824076541	UUZUKHNRKIZDMF-VXGBXAGGSA-N	319.409	1.826	50	20	DDGD	
COC(=O)Nc1cccc(CNC(=O)NNc2cccnn2)c1	495706357	LYCKKXHPSMYRRQ-UHFFFAOYSA-N	316.321	1.481	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)Cc1cccc(F)c1	827314617	HISFXMKEYVTMMF-MFKMUULPSA-N	309.341	1.423	50	20	DDGD	
CC(C)(Nc1ccccc1)C(=O)NNC(=O)[C@@H]1CCCCO1	908518422	XBYKARNZLMQTFE-ZDUSSCGKSA-N	305.378	1.594	50	20	DDGD	
CN(NS(=O)(=O)N1C[C@H]2CC[C@H]1C2)C(=O)OC(C)(C)C	496878440	ZNBVYGKQJNTRJQ-UWVGGRQHSA-N	305.400	1.087	50	20	DDGD	
O=C(/C=C\c1ccc[nH]1)NNC(=O)c1cnn(-c2ccccc2)c1	491962638	LEPAJWCOHSIQEL-HJWRWDBZSA-N	321.340	1.675	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1	730575399	CKYFFPFFCSIJOA-LLVKDONJSA-N	314.794	1.615	50	20	DDGD	
COC(=O)c1cc(/C=C(\C#N)C(=O)N=c2cc[nH]cc2)cn1C	490969364	DPQRFDFTPOXKHJ-KPKJPENVSA-N	310.313	1.174	50	20	DDGD	
OB(O)c1cccc(-c2noc(-c3coc(C4CCC4)n3)n2)c1	585052462	NCRZMVLNXRUYTE-UHFFFAOYSA-N	311.106	1.339	50	20	DDGD	
COCCCOC1(COc2ccc(B(O)O)cc2)CCCC1	584910161	NJFFJNVSPQCIJY-UHFFFAOYSA-N	308.183	1.111	50	20	DDGD	
CCOC(=O)N[C@@H](C(=O)NNc1ccc(Cl)nn1)C(C)C	491453670	XKJHDDCGIJKCFA-SNVBAGLBSA-N	315.761	1.344	50	20	DDGD	
C[C@H]1Oc2cc(F)ccc2[C@H]1NCc1ccccc1B(O)O	585039739	BHIMPHPEQJPOCH-HWPZZCPQSA-N	301.126	1.117	50	20	DDGD	
CC(C)[C@@H]1CC[C@H](C)CCN1C(=O)c1ccc(B(O)O)c(F)c1	584947863	DEAFIWSBNRWEFF-LRDDRELGSA-N	321.201	1.792	50	20	DDGD	
COC(=O)Nc1ccccc1OS(=O)(=O)CBr	494990144	ILHHHXNSGSVJCA-UHFFFAOYSA-N	324.152	1.926	50	20	DDGD	
Cc1csc(CCCCNCc2cccc(B(O)O)c2)n1	585019492	BKPYYHDRJWKNLS-UHFFFAOYSA-N	304.224	1.244	50	20	DDGD	
COc1cccc(CCNC(=O)NNC(=O)[C@H]2CCCCO2)c1	836221233	HNDQVNNXZUYGFB-CQSZACIVSA-N	321.377	1.137	50	20	DDGD	
Cc1nc(CC(=O)NNC(=S)NC(C2CC2)C2CC2)cs1	734754366	YAGXGFSVFFSUBW-UHFFFAOYSA-N	324.475	1.678	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H]1CCC[C@@H](C(=O)O)C1	832977576	UUFWIWQDWVXGPE-NWDGAFQWSA-N	304.346	1.647	50	20	DDGD	
COc1cccc2[nH]c(C(=O)NNC(=O)NCC3CC3)cc12	906417914	OUNJUTKGMMTHCH-UHFFFAOYSA-N	302.334	1.531	50	20	DDGD	
O=C(COCC1CCCC1)NNC(=O)COc1ccc(F)cc1	836218982	VRDDRFRTJXEOHG-UHFFFAOYSA-N	324.352	1.559	50	20	DDGD	
C[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]2CCCC[C@H]12	584928238	GPWCPXVZQLBIEP-DAXOMENPSA-N	301.195	1.407	50	20	DDGD	
COc1ccc(-n2ccc(C(=O)NNc3cccnn3)n2)cc1	736702391	VCALMAWEQOFKPZ-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
O=C(NN=C(C[C@H]1CCOC1)c1ccccc1)c1ncon1	901290163	QSNKPPGWJQKSJC-LLVKDONJSA-N	300.318	1.630	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1nnc(C(F)F)s1	831362828	NOQGURNSWOSHSX-UHNVWZDZSA-N	321.309	1.053	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)Cc1ccccc1OC)C(F)F	836509482	QVSWHQXNLDTVNQ-SNVBAGLBSA-N	315.320	1.612	50	20	DDGD	
CC(C(=O)OCC(=O)NNC(=O)c1cccc(C)c1)=C1CCC1	838235344	GKNWYWUIVDEFMW-UHFFFAOYSA-N	316.357	1.800	50	20	DDGD	
Cc1ccc(CN(C)CC(=O)NNC(=O)c2cccs2)nc1	831053308	DOEFJBQHRVUKQW-UHFFFAOYSA-N	318.402	1.345	50	20	DDGD	
CN(C)[C@H]1CCc2cc(NC(=O)c3cccc(B(O)O)c3)ccc21	584997438	GMDNWAUEMCELEH-KRWDZBQOSA-N	324.189	1.168	50	20	DDGD	
CC1=NO[C@@H](C(=O)NNc2nnc(-c3ccccn3)s2)C1	834290985	QWWHYFDGNFANKR-SECBINFHSA-N	304.335	1.208	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2cccc(Br)n2)CO1	837213039	YTJMIBYSXUTBGR-JGVFFNPUSA-N	300.156	1.712	50	20	DDGD	
O=C(NC1(c2nccs2)CCCC1)c1cccc(B(O)O)c1	584949955	HUYLODORJZQOOE-UHFFFAOYSA-N	316.191	1.022	50	20	DDGD	
Cn1cc([C@@H](NS(=O)(=O)CCl)c2ccc(F)cc2)cn1	831135719	KYAKDMJQPQOJEN-LBPRGKRZSA-N	317.773	1.764	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cccc2nsnc12)C1CC1	912159836	IPNIKZGGEAZLAT-ZETCQYMHSA-N	321.431	1.599	50	20	DDGD	
CO[C@@H](C1CC1)[C@H](C)NC(=O)NNC(=O)Cc1ccccc1C	836640576	GPMZNSSTIFPTNL-BLLLJJGKSA-N	319.405	1.681	50	20	DDGD	
C[C@H]1CCC[C@@H](C)N1CC(=O)NNC(=O)c1ccc(C#N)cc1	839485961	DZTPPYUCAQNMGB-BETUJISGSA-N	314.389	1.582	50	20	DDGD	
COC(=O)c1cc(C)cc(C(=O)NNC(=O)NCC2CC2)c1	837367319	NRIDLQBZQUEDJC-UHFFFAOYSA-N	305.334	1.136	50	20	DDGD	
O=C(NNc1cc(F)ccc1Br)[C@H]1COCCO1	839882242	XQQFGVSGFKSHAS-SNVBAGLBSA-N	319.130	1.447	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(C)cc(C(=O)OC(C)(C)C)c1	837366681	AJKGEHURXQHBMP-UHFFFAOYSA-N	321.377	1.914	50	20	DDGD	
O=C(C[C@@H]1CCOC1)NNC(=O)c1ccc(Cl)cc1F	747332261	JSOZXEQTBZRWFT-QMMMGPOBSA-N	300.717	1.667	50	20	DDGD	
CCO[C@H](CC)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	919972690	JTNAVIKACLCHKG-ZWNOBZJWSA-N	312.341	1.556	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@@H](C)c1cccc(-n2cccn2)c1	745930963	GPLSENTZSBIUJP-LBPRGKRZSA-N	315.377	1.920	50	20	DDGD	
O=C(NCC1CNC1)NNc1c(Cl)cc(F)cc1Cl	841965006	PWYXHYLZHMMCTR-UHFFFAOYSA-N	307.156	1.978	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)NCCC1CCCCC1	748614194	JBVODPUSAKGFPN-LBPRGKRZSA-N	315.414	1.339	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)NNC(=O)c1ccccc1F	918777667	MSNSYNOSLKWNJR-UHFFFAOYSA-N	316.292	1.115	50	20	DDGD	
C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NNC(=O)C1CCCC1	747360567	XRZDWJLBEZBBGG-SJKOYZFVSA-N	304.390	1.879	50	20	DDGD	
C[C@H]1CCCN(C[C@H](C)NC(=O)NNC(=O)CC(F)(F)F)C1	919913640	VZUUUDTUGQNWMS-UWVGGRQHSA-N	324.347	1.390	50	20	DDGD	
COCC1(CC(=O)NNC(=O)Cc2ccccc2OC)CC1	843536662	VROFAOSUHPZSKU-UHFFFAOYSA-N	306.362	1.202	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)C(=O)c1ccc(Cl)cc1	743473935	WJVMWPBPCFNUMY-UHFFFAOYSA-N	316.708	1.332	50	20	DDGD	
CC(C)[C@@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1	745025102	CVCXTJWLXPMOFS-LLVKDONJSA-N	317.345	1.155	50	20	DDGD	
Cc1ccccc1[C@@H](CC(=O)NNc1ncccn1)NC(N)=O	914607816	NRUIXEOEVJZNPR-GFCCVEGCSA-N	314.349	1.028	50	20	DDGD	
C[C@@H](Oc1cccc(C=NNC(=O)c2cccnc2)c1)C(=O)O	746676982	ODOXQWBPTWWJQA-LLVKDONJSA-N	313.313	1.697	50	20	DDGD	
CCOCC(=O)NN=Cc1cc(OC)ccc1Br	747750688	WSVROKIGTDGHDY-UHFFFAOYSA-N	315.167	1.944	50	20	DDGD	
CCNc1nc(C)c(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)s1	844147399	WKIBMQWCDCZBOU-IUCAKERBSA-N	312.395	1.069	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(Cl)nc1F	911505037	PBYKNMICFQNASM-RQJHMYQMSA-N	301.705	1.060	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)c1ccccc1)[C@@H]1CC1(C)C	842168514	XBAHZQYEFUWMDJ-UONOGXRCSA-N	303.406	1.862	50	20	DDGD	
Cc1ccc(NCC(=O)NN=C2C[C@H](C)n3ncnc32)c(C)c1	841611312	RSFQXBUSNXYQEK-LBPRGKRZSA-N	312.377	1.792	50	20	DDGD	
COc1c(C(=O)NNc2cc(F)c(F)c(F)c2)c(C)nn1C	748810750	IXCFZAJDDBIXEA-UHFFFAOYSA-N	314.267	1.911	50	20	DDGD	
CCCNC(=S)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	916546599	BQYCMLMNUUXAOY-UHFFFAOYSA-N	308.407	1.147	50	20	DDGD	
CN(C)C(=O)[C@@H]1CCN(C(=O)[C@H](Br)C(C)(C)C)C1	840509817	QSGNDCGKJQOGGA-ZJUUUORDSA-N	319.243	1.733	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CCCN[C@@H]2C)c1F	841972986	KSMMAJDKLHMYBA-MWLCHTKSSA-N	324.356	1.379	50	20	DDGD	
CN(CC(=O)NNC(=O)NC1CC1)c1nc2ccccc2s1	847391163	SJYRQDIIHNWYRP-UHFFFAOYSA-N	319.390	1.225	50	20	DDGD	
N#Cc1ccc(NNC(=O)NCCC(=O)O)c(C(F)(F)F)c1	840991584	ITVSHQMPIHHSKM-UHFFFAOYSA-N	316.239	1.678	50	20	DDGD	
O=C(O)Nc1ccccc1C(=O)NNC(=O)c1ccccn1	740045348	IVEQTWLONPUECM-UHFFFAOYSA-N	300.274	1.246	50	20	DDGD	
CNCCNC(=O)NNC(=O)c1ccc(OCCC(C)C)cc1	841935725	HGTBQDRGNATWPL-UHFFFAOYSA-N	322.409	1.275	50	20	DDGD	
Cn1ccnc1[C@@H](CC(=O)NNC(=O)C1CCC1)C(F)(F)F	847482022	PDIZHSLMKRIEKR-SECBINFHSA-N	318.299	1.404	50	20	DDGD	
Cc1ccsc1CNC(=O)NNC(=O)Cc1ccncc1	747499262	GIRNEXXDKYMETB-UHFFFAOYSA-N	304.375	1.525	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H](C)C(F)(F)F)cc1	743293948	OMMYNKXZJOABIP-VIFPVBQESA-N	303.284	1.753	50	20	DDGD	
C#C[C@H](NC(=O)NC[C@]1(C)C[C@H]1Br)[C@H]1CCCO1	856849129	MLUZKGYOOFHVTC-WGBDABJCSA-N	315.211	1.640	50	20	DDGD	
C[C@@]1(CNC(=O)CCCn2ccnc2)C[C@@H]1Br	857400353	ZDWSIZNZYYSLRW-JQWIXIFHSA-N	300.200	1.953	50	20	DDGD	
CN(C)C(=O)CNC(=O)NNc1cc(Cl)ccc1Cl	752828517	ABPNWQDAJKRSKI-UHFFFAOYSA-N	305.165	1.708	50	20	DDGD	
COC(=O)c1coc(C=NNC(=O)CNc2ccccc2F)c1	758074008	OYKSSWXTURCCEU-UHFFFAOYSA-N	319.292	1.768	50	20	DDGD	
Cc1nc(CCC(=O)NNc2cc(Cl)nc(N)n2)cs1	753458151	WNPSYANMJIVRSG-UHFFFAOYSA-N	312.786	1.553	50	20	DDGD	
CC[C@@H]1CN([C@H](CC)C(=O)NNc2cccc(C#N)c2)CCO1	855621730	NMBLTJQTJPDHLA-HZPDHXFCSA-N	316.405	1.891	50	20	DDGD	
O=C(NNC(=O)c1cc[nH]n1)c1ccc(OC2CCC2)cc1	855357975	WYXHJLMIZSLBKF-UHFFFAOYSA-N	300.318	1.416	50	20	DDGD	
CC(C)CO[C@H](C)C(=O)NNc1nc(O)c2ccccc2n1	758310254	ABLZCFOHZREKMS-SNVBAGLBSA-N	304.350	1.840	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CC(F)(F)F)C1CCC(O)CC1	855000381	HILJGLNGDIFAIQ-UHFFFAOYSA-N	310.316	1.664	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)[C@@H]2CCCCO2)cc1C	852538231	VCCDGIHHEFTULS-HNNXBMFYSA-N	319.405	1.745	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc2c(c1)CCN2C	752732786	UDLBXGCNFLMIJL-GFCCVEGCSA-N	305.378	1.181	50	20	DDGD	
COC(=O)[C@H](C)Oc1ccc(/C=C(\C#N)S(C)(=O)=O)cc1	758425681	GDDUCJMWLPAJKU-XNFYSYIQSA-N	309.343	1.536	50	20	DDGD	
O=C(NNC(=O)c1scnc1Cl)OCC(F)(F)F	856024255	NYAYWRFQOFACPC-UHFFFAOYSA-N	303.649	1.730	50	20	DDGD	
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NNc1ccc(Cl)cn1	852036548	WAFPJYBGYIZNTK-BDAKNGLRSA-N	313.789	1.664	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cc(-n2ccnn2)ccc1F	854164026	POQVIFLXYZTZMU-UHFFFAOYSA-N	321.312	1.576	50	20	DDGD	
CCSCCCNC(=O)NNC(=O)c1cccc(F)n1	852309490	AAHFALBMRHKSGM-UHFFFAOYSA-N	300.359	1.308	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)C1CC(F)(F)C1	753563149	MKEDBZQOCIZQQV-UHFFFAOYSA-N	308.288	1.229	50	20	DDGD	
CC(=O)N[C@H](CCC(C)C)C(=O)NNC(=O)c1ccccc1	854138900	XZJCNHKEJFYHFL-CQSZACIVSA-N	305.378	1.389	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C(C)(C)CC(C)C	854282149	FDAVJAHQQPXZIJ-UHFFFAOYSA-N	303.472	1.933	50	20	DDGD	
CC[C@@H](C)n1ncc2c(C(=O)NNC(=O)NC)cc(C)nc21	751360295	ADIOXUJZGLWFFZ-SECBINFHSA-N	304.354	1.285	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccc(OC2CCCC2)nc1	857273077	MAAQPRWDUKWLAY-UHFFFAOYSA-N	302.338	1.288	50	20	DDGD	
CC(C)CCCCCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1	858693940	CAQSLIIHTLTHNY-LBPRGKRZSA-N	312.414	1.202	50	20	DDGD	
O=C(CC[C@H]1CC1(Cl)Cl)NNC(=O)c1cccnc1	854146644	XZLHDUBZXGWSEP-VIFPVBQESA-N	302.161	1.817	50	20	DDGD	
Cc1cc(CNC(=O)NNc2cccc([N+](=O)[O-])c2)ncn1	757663642	NTHWAAXSZQESSG-UHFFFAOYSA-N	302.294	1.520	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CC2CCCC2)c(OC)n1	756248425	LGQAAFKOKYZFST-UHFFFAOYSA-N	322.365	1.832	50	20	DDGD	
C[C@@H]1COCCN(C(=O)NC[C@]2(C)C[C@H]2Br)C1	856953348	KMUJXUXQPRRSCG-UMNHJUIQSA-N	305.216	1.838	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H](C)CN2CCC(C)CC2)nc1	852603977	XTXJDXUOCLREGP-CYBMUJFWSA-N	321.425	1.837	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(-c2csnn2)cc1	858778685	RVMZALRLONMEIZ-UHFFFAOYSA-N	319.390	1.949	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1ccc(CCCCl)cc1	751267316	PUOUDZFYIRQTHR-UHFFFAOYSA-N	304.799	1.578	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)c1ccnn1CC(F)F	857533987	UOGZDQCQGKDVNJ-UHFFFAOYSA-N	303.219	1.578	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2c[nH]nc2-c2ccccc2)n[nH]1	755629068	YJIMZFFBIUXJNA-UHFFFAOYSA-N	308.345	1.801	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(Oc2ncccn2)cc1C	753935635	OFRZBAPDKOQQDZ-UHFFFAOYSA-N	301.306	1.750	50	20	DDGD	
CCC[C@@H](CC)S(=O)(=O)NNC(=O)c1cccc(F)n1	853052089	WOCUOSIPWKRIIA-SECBINFHSA-N	303.359	1.364	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccc2nc(O)[nH]c2c1	855091945	KHIXJZDHRDQVSE-UHFFFAOYSA-N	319.390	1.178	50	20	DDGD	
COC(=O)NN=C(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	853258297	XLNZNUSTVNYHTF-JTQLQIEISA-N	301.343	1.354	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1cccc(OCC(=O)O)c1	757461361	LTSZBFCJRRVKGY-UHFFFAOYSA-N	323.349	1.210	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc3c(s2)CCC3)ncn1	758071911	QOCBNUIIDYGHMD-UHFFFAOYSA-N	302.359	1.410	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21	866955011	AYFLTENDUHMIQB-GHMZBOCLSA-N	322.858	1.324	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNc1ccc(OC(F)F)cc1	866875515	FUQBFVYVNRVALU-NSHDSACASA-N	301.293	1.646	50	20	DDGD	
CCCCn1cc(S(=O)(=O)N2CC=C(C#N)CC2)c(C)n1	867069959	MNZFKQAVJGUBIO-UHFFFAOYSA-N	308.407	1.836	50	20	DDGD	
CN(C)C(=O)c1cccc(NC(=O)NNc2ncc(F)cn2)c1	760310968	ZGEKWXLULOGXHP-UHFFFAOYSA-N	318.312	1.466	50	20	DDGD	
O=C(NN=Cc1cc(Cl)cc2cccnc12)C(=O)NC1CC1	763153183	LHLRDPCXULFNTG-UHFFFAOYSA-N	316.748	1.617	50	20	DDGD	
CCO[C@H]1COCC[C@H]1NS(=O)(=O)CC(C)(C)CCl	867104432	ALHWXEURDZCOCJ-MNOVXSKESA-N	313.847	1.365	50	20	DDGD	
COc1cccc(C(C)(C)C(=O)NNC(=O)c2cc[nH]n2)c1	869240065	WGQWEGYVHZRVEL-UHFFFAOYSA-N	302.334	1.157	50	20	DDGD	
O=C(C[C@@H]1CC(=O)Nc2ccccc21)NNC(=O)NCC1CC1	930734961	SLYUNAVGVLQRLF-NSHDSACASA-N	316.361	1.243	50	20	DDGD	
CCCOc1cccnc1C(=O)NNc1nccc(OC)n1	760111937	FRQYPBNBFCQBAI-UHFFFAOYSA-N	303.322	1.426	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)cc1	863856666	IAXUSIUWLIXSGA-LBPRGKRZSA-N	313.361	1.225	50	20	DDGD	
CO[C@](C)(C(=O)NN=c1cc[nH]c(C)c1)C(=O)OC(C)(C)C	862515767	BTGPIAISIVCOOR-OAHLLOKOSA-N	309.366	1.002	50	20	DDGD	
O=C(O)Cn1cc(C=NNC(=O)c2cccc3ccccc23)nn1	768486279	ZSGCYXUMXLULJQ-UHFFFAOYSA-N	323.312	1.280	50	20	DDGD	
CCCN1CCCC[C@@H]1C(=O)NNc1ccc(C(=O)OC)cn1	1116395873	SVPIAYKNGFTGMA-CYBMUJFWSA-N	320.393	1.576	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)OCCCS(C)(=O)=O	766749839	FKOJEIKTMMICBK-MRVPVSSYSA-N	315.229	1.774	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2cccs2)[nH]n1)C1=COCC1	763167301	XEDDDRLTHGXQLN-UHFFFAOYSA-N	304.331	1.203	50	20	DDGD	
COc1ccc(CNC(=O)NNc2cccc(C)n2)c(OC)n1	875608021	LESQRZLBLHGVMY-UHFFFAOYSA-N	317.349	1.629	50	20	DDGD	
C[C@@H]1C[C@@H](CNC(=O)NNC(=O)c2cccc(C#N)c2)CCO1	770769479	HMBYWDBPVRXTNK-YPMHNXCESA-N	316.361	1.317	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NNc1ccnc(Br)c1	771547042	LQHMROPKNLYZPR-RKDXNWHRSA-N	300.156	1.712	50	20	DDGD	
CCOC(=O)c1cnc(C)c(C(=O)NNc2cnccn2)c1	775604126	JKXZILOBQKMSIR-UHFFFAOYSA-N	301.306	1.114	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1118814024	SUIGXZLJOMIUNU-BXKDBHETSA-N	305.216	1.581	50	20	DDGD	
CC(=NNC(=O)c1n[nH]c2c1CCCC2)c1ccnc(F)c1	1117102943	QNQVOEOTADGUTA-UHFFFAOYSA-N	301.325	1.977	50	20	DDGD	
COCCCCC(=O)NNC(=S)Nc1ccc(OC)nc1	874953414	BUUIDNCWPYJUGM-UHFFFAOYSA-N	312.395	1.225	50	20	DDGD	
CSc1ccccc1CC(=O)NNC(=O)c1cnn(C)c1	776932447	QADCMFHKDKWPEB-UHFFFAOYSA-N	304.375	1.146	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CCc1cccc(OC)c1	771969262	OWJCVMGAKRLTFF-NSHDSACASA-N	322.361	1.117	50	20	DDGD	
CCSCc1cc(C(=O)NNc2nccnc2OC)no1	771746903	XZBZWXDOKGLUQX-UHFFFAOYSA-N	309.351	1.483	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)c1ccc2c(c1)OCO2	770597987	ZSANHMAAFSYYHJ-UHFFFAOYSA-N	300.318	1.475	50	20	DDGD	
C=CCNc1ncc(C(=O)NNC(=O)c2ccncc2)s1	771712225	BAMSJKVFFSUPHP-UHFFFAOYSA-N	303.347	1.211	50	20	DDGD	
C[C@H](NS(=O)(=O)CCCCl)C(=O)NCc1ccccc1	881807711	AIPCZNJEKNFVCX-NSHDSACASA-N	318.826	1.240	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)Nc2cccnc2)nc1C	778068532	ZQDHARIEVDBKKL-UHFFFAOYSA-N	316.321	1.505	50	20	DDGD	
Cc1nn(C)c(=O)c(C(=O)OC[C@H](C)CBr)c1C	770335051	CYFSDIIOSVSYLW-SSDOTTSWSA-N	317.183	1.585	50	20	DDGD	
COc1cc(NNC(=O)C(=O)Nc2ccnn2C)ccc1Cl	789804367	AIGUASCIZHWHQL-UHFFFAOYSA-N	323.740	1.164	50	20	DDGD	
CO[C@]1(C)C[C@H](NS(=O)(=O)CBr)C1(C)C	782461360	QDPTUUZKEUYMLD-IONNQARKSA-N	300.218	1.462	50	20	DDGD	
O=C(NCC1(c2ccccc2)CC1)NNC(=O)c1cccnn1	883090218	FFEOYCCTHOVBMD-UHFFFAOYSA-N	311.345	1.152	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1CCCCN1C1CCCC1	887147753	AFJJKAYQJWSYLO-OAHLLOKOSA-N	305.422	1.734	50	20	DDGD	
CN(C)S(=O)(=O)CCCOC(=O)/C(C#N)=C/c1ccccc1	785362383	LUOAXQLRNXUUKT-SDNWHVSQSA-N	322.386	1.418	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(O)ccc1Cl	785873790	SZZVLLFKLNXJRA-ZETCQYMHSA-N	314.725	1.148	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCC(C)(C)C2CCOCC2)cn1	887387421	SRVLTRJEHVHXEJ-RIYZIHGNSA-N	316.405	1.896	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2COc3ccccc3O2)n1	780770499	HNGZRAGRXZRCHT-LBPRGKRZSA-N	301.302	1.373	50	20	DDGD	
COc1ccc(C=NNC(=O)C(C)(C)O)cc1OCCCC#N	785459619	BWHMHZNTAPBZEO-UHFFFAOYSA-N	319.361	1.599	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ccc(Cl)nn2)cc1	784789736	OKYLLBUSADUNHB-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)ccc1C	899138841	XSOFBKJYHMXITC-LERXQTSPSA-N	302.330	1.450	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1cc(C(=O)O)ccc1C	788425061	MDLGSLRJPPAWNP-UHFFFAOYSA-N	305.334	1.459	50	20	DDGD	
Cc1cccnc1NNC(=O)Cn1cnc2c(C)cccc2c1=O	791214967	KEIIUAVVRXUAEL-UHFFFAOYSA-N	323.356	1.552	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@@H](C(C)C)[C@@H](O)c1ccccc1	794605376	OPWVAJLOEMZZGK-RCBQFDQVSA-N	321.421	1.280	50	20	DDGD	
O=C(CCc1cnccn1)NNC(=O)c1cc2ccccc2o1	793613134	HPUXEOOXGFRBQT-UHFFFAOYSA-N	310.313	1.617	50	20	DDGD	
C[C@@H]1CCC[C@H]1CNC(=O)NNc1nc(O)c2cnn(C)c2n1	798511748	RTAUEMWVHSPOMU-BDAKNGLRSA-N	319.369	1.131	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)NCc1ccco1)c1cccnc1	797841496	MZJJKLKNEOYOJI-AWEZNQCLSA-N	316.361	1.945	50	20	DDGD	
Cn1cc(C(=O)CCC(=O)NNc2ncccc2Cl)cn1	795103960	ZPSHOOCMNJTNHK-UHFFFAOYSA-N	307.741	1.575	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc3nccnc3cc2F)n1	792040703	OGJHWXJLCKKDKY-UHFFFAOYSA-N	312.308	1.933	50	20	DDGD	
COCCN(C)c1ccc(C=NNC(=O)c2cccn2C)cn1	790154745	XUXRFQNYUIOHOB-UHFFFAOYSA-N	315.377	1.267	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C(C)(C)C2CCOCC2)nc1	795210569	RHBUOFHCPFKWFP-UHFFFAOYSA-N	321.377	1.764	50	20	DDGD	
Cc1n[nH]cc1C1CCN(CC(=O)NNC(=O)C(C)(C)C)CC1	792929732	XZTBEDBPOFKNBD-UHFFFAOYSA-N	321.425	1.091	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)NCC2(C#N)CC2)c1	797583428	WFSGAGLEVNLXEA-UHFFFAOYSA-N	316.361	1.316	50	20	DDGD	
CC[C@](C)(OC)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	796395287	CIYXGZBWYIXXHH-INIZCTEOSA-N	322.361	1.114	50	20	DDGD	
CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NNc1ncccc1C	791217028	LVFAVPZBRNXSMW-INIZCTEOSA-N	324.384	1.807	50	20	DDGD	
CCCCS[C@H](C)C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1319302228	VAKQREMKOCEDSS-SNVBAGLBSA-N	324.450	1.971	50	20	DDGD	
C[C@@H](NC(=O)NNc1nncc(N)c1Cl)c1cccnc1	1319218992	ROBRYCZRQQLSKO-SSDOTTSWSA-N	307.745	1.495	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NC/C=C/C2CC2)c1	1324695720	OLDXLHALKMYLKK-SNAWJCMRSA-N	302.378	1.663	50	20	DDGD	
C[C@H]1[C@H](C)CCN1C(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1328967422	IVLYVODXZJILIF-COMAGPEQSA-N	317.227	1.533	50	20	DDGD	
CCCN(CC(=O)NNC(=O)C1CC1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	1322783526	CWHADWVQXVKDJG-CFVMTHIKSA-N	323.437	1.069	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1c[nH]nc1-c1cccnc1	1325582400	IWXWRJCPHPOHLB-UHFFFAOYSA-N	314.736	1.699	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)[C@@H]2CC(c3cnn(C)c3)=NO2)c1	1337197954	NOERSWWPJGSCEZ-AWEZNQCLSA-N	317.324	1.504	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc2nnc(C(F)F)n2c1	1334791061	NSZUHXUIZYHBMG-UHFFFAOYSA-N	321.287	1.231	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(F)cc1)[C@H]1CN(C)CCN1C	1263778667	PALOXNQMNCIVJU-BXUZGUMPSA-N	309.389	1.086	50	20	DDGD	
Cc1cccc(C(=O)NNc2nncc(N)c2Cl)c1[N+](=O)[O-]	1340554804	LLTMDOVJOUKRTF-UHFFFAOYSA-N	322.712	1.686	50	20	DDGD	
CC1(C)OCC(CO)(NC(=O)C2CCC(Cl)CC2)CO1	1349718869	AXWSOMBLNOHCLQ-UHFFFAOYSA-N	305.802	1.414	50	20	DDGD	
C#CC[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1ccccc1	1345733431	QDSXDMIFDDPCID-QEJZJMRPSA-N	315.373	1.506	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2ccc(C(=O)O)cc2F)CCC1=O	1609840972	VAHIINVRVYENQQ-RKDXNWHRSA-N	308.309	1.972	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1c[nH]c(C(=O)O)c1	1601558995	GQICHCQHYQBSQO-UHFFFAOYSA-N	312.285	1.311	50	20	DDGD	
COc1ccc(NNC(=O)C[C@@H](C)CC(=O)O)c([N+](=O)[O-])c1	1607277368	RWLZBVRKTMNUCX-MRVPVSSYSA-N	311.294	1.547	50	20	DDGD	
O=C(Cc1ccccc1[N+](=O)[O-])NNc1ccccc1C(=O)O	1601369771	INYHVXGUYRBCCC-UHFFFAOYSA-N	315.285	1.979	50	20	DDGD	
CCO[C@@H](C(=O)NNc1cccc(C(=O)O)c1)[C@@H]1CCOC1	1605586270	BPUSJBNKWRJGSQ-DGCLKSJQSA-N	308.334	1.270	50	20	DDGD	
Cc1c(NNC(=O)NC[C@@H]2CCCN2C)cccc1C(=O)O	1607552157	IPWOMMOXXPASKG-NSHDSACASA-N	306.366	1.414	50	20	DDGD	
Cc1noc([C@@H](C)NC(=O)NNc2ccc(F)c(C(=O)O)c2)n1	1608021326	OPXGRRJUGALPSQ-ZCFIWIBFSA-N	323.284	1.603	50	20	DDGD	
CC[C@H](C(=O)O)C(=O)OCCCI	1609891365	ILCMWFXLIWOKDC-ZCFIWIBFSA-N	300.092	1.466	50	20	DDGD	
CC(=O)Nc1ccc(SCC(=O)NNC(=O)C2CC2)cc1	15793897	NOVCUUANRLWFPU-UHFFFAOYSA-N	307.375	1.295	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](C)c2ncc(C(=O)O)s2)nc1	1610509123	AWANGPHKXMUMTC-QMMMGPOBSA-N	321.362	1.932	50	20	DDGD	
CC(Cc1cccc(C)c1)=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549903630	BAKLGMYAIVTPMH-IAGOWNOFSA-N	315.417	1.893	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ccc(C(=O)O)cc2)n1	1610648422	CGXKMYWPUKNTKQ-UHFFFAOYSA-N	307.697	1.167	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)NN=CC1CCOCC1	1549314177	BRZGZMVWTYKWSB-DZGCQCFKSA-N	320.393	1.416	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@@H]2C=NNC(=O)c2c[nH]nc2C)cn1	1552450083	SZKULFNIFLAPOI-BXUZGUMPSA-N	316.365	1.428	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1NC2)c1cccc(Cl)c1	1580733526	XEDPNMSRDCSRGP-OASPWFOLSA-N	307.781	1.489	50	20	DDGD	
C=C(C)C[C@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)C(=O)O	1588537652	VBTFWJYACMQEFF-BCNIOPEESA-N	300.314	1.835	50	20	DDGD	
CC(C)(C(=O)O)C(=O)NNc1cccc2c1OC(F)(F)O2	1588618600	XQJONZRTKVYYHT-UHFFFAOYSA-N	302.233	1.562	50	20	DDGD	
CC(C)CCCNC(=O)NNc1cccc(-c2nn[nH]n2)c1	1589597269	FBHWQGJJZGLMGP-UHFFFAOYSA-N	303.370	1.929	50	20	DDGD	
C[C@@H]1C[C@H]2CC[C@H](C(=O)NNc3ncccc3C(=O)O)CN2C1	1589300386	VIYKPNNETSMIKD-GRYCIOLGSA-N	318.377	1.343	50	20	DDGD	
C[C@H]1C(=O)CC[C@H](C(=O)NNc2ccc(C(=O)O)cn2)C1(C)C	1594122596	PRRJZMWNMOUXLG-GXSJLCMTSA-N	319.361	1.864	50	20	DDGD	
C[C@@]1(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CCCS1	1590121208	ZIYCMRXAMYPWGF-AWEZNQCLSA-N	316.390	1.868	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)CCCC(=O)O	1591923827	UPTSJBAXDAQJFI-UHFFFAOYSA-N	300.746	1.951	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc2c(C(=O)O)c[nH]c2c1	1596665499	ZINMDIBAHNNRNV-UHFFFAOYSA-N	306.278	1.649	50	20	DDGD	
CC[C@H](OC)C(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1595353249	AGANJCITQURFRW-VIFPVBQESA-N	301.368	1.005	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1cc(F)ccc1[N+](=O)[O-]	1594781426	OHVWRKODZLLVHK-UHFFFAOYSA-N	320.236	1.584	50	20	DDGD	
C[C@H](CBr)CN(CCC(=O)O)C[C@H]1CCCO1	1592212818	ULBAOWZFVVFCOP-GHMZBOCLSA-N	308.216	1.973	50	20	DDGD	
CN1CCCC[C@H]1CNC(=O)NNc1cccc(C(=O)O)c1	1598600529	MIWAIWVKYYRIGN-ZDUSSCGKSA-N	306.366	1.495	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=Cc2ccc(C(=O)O)nc2)cc1	1776017445	YEECZWJPGGYZRW-UHFFFAOYSA-N	324.296	1.181	50	20	DDGD	
Cn1nc(C(=O)O)cc1C=NNC(=O)c1ccc2ccccc2n1	1776011494	IRSFLCGIFWTZRY-UHFFFAOYSA-N	323.312	1.430	50	20	DDGD	
CCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(Cl)Cl)C2	1795608205	XKKSMMWDRXSSCG-ILWJIGKKSA-N	323.220	1.465	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl)C1=COCC1	1796809792	DHKHLEBWYFECAL-WRWGMCAJSA-N	316.760	1.463	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1cc(Cl)cc(Cl)c1	155437187	HCOPFIDGRXAPLT-UHFFFAOYSA-N	305.165	1.708	50	20	DDGD	
C#CCOCCC(=O)NNC(=O)c1ccc(Cl)cc1Cl	159227053	QPJIWEOQJXVNLU-UHFFFAOYSA-N	315.156	1.794	50	20	DDGD	
CCCN(CC(N)=O)S(=O)(=O)c1ccc(CCCl)cc1	312472727	GYPXCOKGYKSSJZ-UHFFFAOYSA-N	318.826	1.354	50	20	DDGD	
C[C@H](CBr)CN1CCCC[C@@H]1CS(C)(=O)=O	831782157	FHINZYLYKCBDHI-GHMZBOCLSA-N	312.273	1.917	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)COCC(F)(F)F	862287076	MTUFAJZUYRYWGN-UHFFFAOYSA-N	320.267	1.865	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc(C)c(F)c1	7959806	OUJICMUNOPAUHP-UHFFFAOYSA-N	313.398	1.622	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNC(=O)CCc1ccccc1O	106285751	GJXHUAQGIACEBJ-LBPRGKRZSA-N	308.378	1.677	50	20	DDGD	
CC(C)N1CCC[C@@H](CNC(=O)NNC(=O)c2ccc[nH]2)C1	105275980	GNEJIWWNQVRTGU-LBPRGKRZSA-N	307.398	1.079	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2CCO[C@H]2c2ccccc2)nn1	176543109	WXYYSYSEPNNKFT-HIFRSBDPSA-N	313.361	1.941	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NNc1nc(-c2ccccc2)no1	102789831	YQEWCIVGGUNCAG-UHFFFAOYSA-N	324.362	1.005	50	20	DDGD	
O=C(COc1ccccc1Cl)NNC(=O)Cc1cccnc1	103424996	LNDMSMARFWTDLC-UHFFFAOYSA-N	319.748	1.504	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1ccc2[nH]c(=O)[nH]c2c1	176243059	IFPUQCZHJBPRJD-UHFFFAOYSA-N	303.709	1.662	50	20	DDGD	
Cc1cc2ccccc2n1CC(=O)NNC(=O)c1cnn(C)c1	117679550	DJNYCHYDASIQMV-UHFFFAOYSA-N	311.345	1.144	50	20	DDGD	
CCCOc1ccc(/C=C/C(=O)NNC(=O)NC2CC2)cc1	64427570	XDQUKILGRAYBMN-BJMVGYQFSA-N	303.362	1.981	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)c1	66569804	SBWNFAZIJBOAMX-UHFFFAOYSA-N	321.377	1.671	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2cccc(OCC#N)c2)nn1	113409288	CZAFUHOZVCHHIH-UHFFFAOYSA-N	312.333	1.514	50	20	DDGD	
CCNC(=O)NNC(=O)c1csc(-c2ccccc2F)n1	65189159	JMHFGJOXOGQLKZ-UHFFFAOYSA-N	308.338	1.913	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)CC1CCOCC1	117413784	YJBHTSWMDPFWHO-UHFFFAOYSA-N	306.362	1.289	50	20	DDGD	
O=C(NCCCN1C(=O)CCC1=O)NNc1ccccc1Cl	171606553	VZGSTRULXVFZJL-UHFFFAOYSA-N	324.768	1.505	50	20	DDGD	
CCCCC[C@H](C)CC(=O)NNC(=O)CNC(=O)c1ccco1	172977082	SEDGELBRUVCZRY-LBPRGKRZSA-N	323.393	1.763	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)cn1	117679908	ZGQCVMNKUHGZSL-CHWSQXEVSA-N	318.764	1.638	50	20	DDGD	
CC[C@H]1CCCCN1CCNC(=O)NNc1ccc(C)nn1	113404071	CTHFLCQCMZYWCN-ZDUSSCGKSA-N	306.414	1.676	50	20	DDGD	
C[C@H]1C[C@H](C)CN(C[C@@H](C)NC(=O)NNc2cccnn2)C1	172453687	AHUJIZURRYBFNO-RWMBFGLXSA-N	306.414	1.469	50	20	DDGD	
CCN(CC(=O)NNC(=O)C1CC1)Cc1cccc(Cl)c1	112977067	WNOAPBPRYXNNGR-UHFFFAOYSA-N	309.797	1.719	50	20	DDGD	
Cc1c(C(=O)NNc2cnccn2)cnn1-c1ccc(F)cc1	114878868	VCEGFDVGJYLQBN-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
Cc1nn(C)c2ncc(C(=O)NNc3nccnc3Cl)cc12	114894105	AFHZAUVPTUFBCG-UHFFFAOYSA-N	317.740	1.477	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)NCC2CC2)cc1	64937191	IFBJNWJIHZDXME-UHFFFAOYSA-N	308.407	1.996	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)COC(C)C)cc1	68005398	BHAVGADJRMOLRG-GFCCVEGCSA-N	324.377	1.425	50	20	DDGD	
CSC[C@H](C)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	66754218	VZPJPLPSAQXABK-UWVGGRQHSA-N	314.382	1.740	50	20	DDGD	
O=C(CCc1nc(C2CCCC2)no1)NNc1ncccn1	129746581	RLXOJSRLABUXKM-UHFFFAOYSA-N	302.338	1.593	50	20	DDGD	
C[C@@H](O)c1ccc(CNC(=O)NNC(=O)c2ccccc2)cc1	171062485	LHMBGWQAQIMSOU-GFCCVEGCSA-N	313.357	1.884	50	20	DDGD	
CCO[C@@H]1CCCN(C(=O)NNC(=O)c2ccccc2C)C1	67874521	YGFXCGAHAIHMRS-CYBMUJFWSA-N	305.378	1.850	50	20	DDGD	
COCCCN(C)CCNC(=O)NNc1cc(Cl)ccn1	181231907	KZMLWWZFCFSOMB-UHFFFAOYSA-N	315.805	1.329	50	20	DDGD	
COC1(C(=O)NNC(=O)CNc2ccc(C)cc2)CCCCC1	188292853	SZIVQHVMIPUSHX-UHFFFAOYSA-N	319.405	1.904	50	20	DDGD	
CNS(=O)(=O)c1ccc(C)c(C(=O)NNc2ccncc2)c1	180533113	PELUWTZQWOSEMR-UHFFFAOYSA-N	320.374	1.055	50	20	DDGD	
CC[C@@H](CC1CCCCC1)C(=O)NNC(=O)C(=O)NC1CC1	74688204	RPCIDYOQAIQFGT-LBPRGKRZSA-N	309.410	1.409	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)c1ccc(F)cc1)[C@@H]1CCCO1	182252991	IMTXEVOFBGCBKK-KGLIPLIRSA-N	323.368	1.134	50	20	DDGD	
O=C(CSCC(=O)c1ccccc1)NNc1ncc(F)cn1	122590296	HKIAGTNZRPHBMK-UHFFFAOYSA-N	320.349	1.675	50	20	DDGD	
C[C@@H](NC(=O)NNc1nc2ccccn2n1)C(C)(C)CN(C)C	189511813	UALKSUXZKGTFEH-LLVKDONJSA-N	319.413	1.332	50	20	DDGD	
CN(C)N(C(=O)c1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1	73491555	BTFLHWIHENZACO-VIFPVBQESA-N	318.345	1.071	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Nc1ccc(C)cn1	184270289	DQOIEGLDTYRUFW-UHFFFAOYSA-N	314.345	1.794	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)Nc2cccc3ccccc23)nn1	133979077	QALMDSPXZLXWDZ-UHFFFAOYSA-N	322.328	1.877	50	20	DDGD	
Cc1cnc([C@H](C)NC(=O)NNC(=O)c2ccccc2O)s1	79082039	FQSGHLFHEARJEE-VIFPVBQESA-N	320.374	1.862	50	20	DDGD	
Cn1nc(C(=O)NNc2cccc(F)c2)cc1OC(F)F	184766929	SVGKLRBDJWAWJE-UHFFFAOYSA-N	300.240	1.918	50	20	DDGD	
O=C(CCOC[C@H]1CCCO1)NNC(=O)CCc1ccccc1	132484676	RJFNSUWIARGKOS-OAHLLOKOSA-N	320.389	1.352	50	20	DDGD	
Cn1cc(/C=C(/C#N)S(C)(=O)=O)c(-c2ccc(C#N)cc2)n1	182278192	RFOOQJNKRQCTTA-AUWJEWJLSA-N	312.354	1.868	50	20	DDGD	
Cn1cc(CCC(=O)NNc2ccc(-c3ccccc3)nn2)cn1	85654604	UXNKFJJQZJSYAV-UHFFFAOYSA-N	322.372	1.953	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc(-n2ccnc2)cc1	80005307	BTJPKELLKSFRBO-UHFFFAOYSA-N	309.329	1.286	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](C)Cn1cccn1	46466698	GSMGWYAPQVYUEU-LBPRGKRZSA-N	301.350	1.224	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCN2CCC[C@@H](C)C2)n1	46382240	PLWDJMCZSDVKAC-LLVKDONJSA-N	306.414	1.451	50	20	DDGD	
C[C@H](O)C[C@@H]1COCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	194866639	AZMDFTHZSGYQLP-INTWUNTISA-N	316.357	1.297	50	20	DDGD	
C[C@@H]1CCCN(CCNC(=O)NNC(=O)c2ccccc2O)C1	46381614	BCXICNOGZGYVCU-GFCCVEGCSA-N	320.393	1.068	50	20	DDGD	
CCc1cnc(NC(=O)C(=O)NNC(=O)c2ccccc2)s1	190709296	KRZDNZLDCXLEMN-UHFFFAOYSA-N	318.358	1.105	50	20	DDGD	
CC[C@@H]1CCN(CC(=O)NNC(=O)Cc2ccccc2C)C1	138195680	HNNPVPJDYFDSGC-CQSZACIVSA-N	303.406	1.417	50	20	DDGD	
CC[C@@H](N)C(=O)NNc1c(F)cc(F)cc1Br	130055582	BAERNJYESXFEMZ-MRVPVSSYSA-N	308.126	1.908	50	20	DDGD	
CN(C)c1ccnc(C(=O)NNC(=O)c2c[nH]c3ccccc23)c1	195488774	OJODJVPELBDBET-UHFFFAOYSA-N	323.356	1.704	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C\c1cc2c(cc1[N+](=O)[O-])OCCO2	147586802	AIWPMTXSMLJSHG-KMKOMSMNSA-N	323.268	1.533	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@@H]2CCn3cncc3C2)c1	93543117	GPUYRTJJKWHSCU-SNVBAGLBSA-N	316.752	1.509	50	20	DDGD	
CC(C)Oc1ccc(S(=O)(=O)NNC(=O)C(C)(C)C)cc1	91014190	WHCAFGCNGHDQDQ-UHFFFAOYSA-N	314.407	1.829	50	20	DDGD	
Cn1c(=NNC(=O)c2cncc(O)c2)sc2ccccc21	255889733	MUBJHYPBXDLEFO-UHFFFAOYSA-N	300.343	1.586	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)COc1ccc(C#N)cc1)C1CC1	263903035	RRJNKAUADCPJBZ-JTQLQIEISA-N	318.402	1.231	50	20	DDGD	
C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccc[nH]1	266939502	QEYLJGUBYUCUJW-SNVBAGLBSA-N	324.381	1.279	50	20	DDGD	
CC(C)(C)c1nc(C(=O)NNC(=O)c2ccccn2)cs1	263981191	KMBHZLVBWXAGPD-UHFFFAOYSA-N	304.375	1.910	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H](NC(=O)NNc2nc(C)cc(C)n2)C1	279690509	HOZGQQCSIWOWPU-WDEREUQCSA-N	307.354	1.061	50	20	DDGD	
COc1nccnc1NNC(=O)c1cccc([C@@H]2CCOC2)c1	274149981	YVKHLUWSYSMKSQ-CYBMUJFWSA-N	314.345	1.746	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(OC(C)C)c(OC)c1	271454927	VNYWDJABBRUKIS-UHFFFAOYSA-N	309.366	1.789	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)CCn2c(C)cc(O)cc2=O)c1	276316005	WFHUKOKMPXWVPJ-UHFFFAOYSA-N	319.336	1.843	50	20	DDGD	
C[C@H](NC(=O)NNc1cncc(Cl)n1)C1=CCN(C)CC1	272983148	PGWLLHUJHIRDBR-VIFPVBQESA-N	310.789	1.407	50	20	DDGD	
O=C(NNC(=O)c1cnn2c1OCCC2)c1ccc(Cl)cc1	366366365	YJGOUMWIFCBTGI-UHFFFAOYSA-N	320.736	1.394	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cc(S(=O)(=O)CC)ccc1O	271516815	JPCYRYKDKVZEQI-MDZDMXLPSA-N	324.358	1.568	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1nnc(C(F)(F)F)s1	273435551	PYONUMIOWCYNOP-UHFFFAOYSA-N	309.273	1.510	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2ccccc2)C[C@@H](C2CC2)O1	279592728	HUXMZEITHQROTG-FZMZJTMJSA-N	303.362	1.540	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc(C(=O)N(C)C)c1	274230706	DZDFGQKPOVWMQO-UHFFFAOYSA-N	307.354	1.086	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCCC[C@H](C)CO)c1	270528665	NVHJTUNXNAMLAJ-ZDUSSCGKSA-N	323.393	1.113	50	20	DDGD	
C=CCCOCCNC(=O)NNc1ncnc2ccsc12	270461968	UHBVZRLYTNBHPD-UHFFFAOYSA-N	307.379	1.910	50	20	DDGD	
COC(=O)[C@H]1CC[C@H](C(=O)NNc2ccc(Cl)nn2)CC1	281481139	IBAPAAZJYHUHPK-KYZUINATSA-N	312.757	1.553	50	20	DDGD	
C[C@@H]1CCC[C@@H]1CC(=O)NNc1ccc(-n2ccnc2)nn1	286781321	XFIVBJPSRMUKKJ-VXGBXAGGSA-N	300.366	1.932	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)[C@H]1CC1(Cl)Cl	286674502	PTEIXNAVLDSGEL-SSDOTTSWSA-N	313.148	1.299	50	20	DDGD	
O=C(NNC(=O)N1CCC1)c1ccc(Br)s1	284216033	ZUQHHEGVQAUJEO-UHFFFAOYSA-N	304.169	1.571	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)Cc1cccc2ccccc12)C1CC1	286267488	LHYHQCHTPXZPOA-SFHVURJKSA-N	312.369	1.691	50	20	DDGD	
CCOC(=O)Oc1ccc(C(=O)NNC(=O)NCC2CC2)cc1	800329021	YTPNZDPZOMCZFB-UHFFFAOYSA-N	321.333	1.576	50	20	DDGD	
NC(=O)N[C@H](CC(=O)NNc1cccc(F)n1)c1cccs1	804768680	POEVJXWFFGHHFU-MRVPVSSYSA-N	323.353	1.525	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1cc2c(C)nn(C)c2s1	807960557	WRKOGNCJAMPXET-UHFFFAOYSA-N	319.390	1.062	50	20	DDGD	
Cc1ccc(F)c(OCC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	294270274	PCFACIOHGOANCS-JQWIXIFHSA-N	310.325	1.228	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)COc2ccc(F)cc2)nn1	807951862	BUAQKQBGXDGXNS-UHFFFAOYSA-N	305.313	1.527	50	20	DDGD	
CC[C@H]1CCC[C@H]1C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	294528040	ZCRSIFRBGATQSX-GXTWGEPZSA-N	317.389	1.907	50	20	DDGD	
N#Cc1ccc(NCC(=O)NNC(=O)Nc2ccccc2)nc1	801990170	YERBUANVFVDBME-UHFFFAOYSA-N	310.317	1.218	50	20	DDGD	
CC(C)Nc1ncccc1C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	293928405	NYGFPHIYPLFDMH-JQWIXIFHSA-N	306.366	1.230	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)N[C@@H](C1CC1)C(F)(F)F	808866127	OUCVEZJCOQYOQH-QMMMGPOBSA-N	305.260	1.003	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1	293867771	YDUPCWXYTMGTBP-CMPYXILNSA-N	312.329	1.377	50	20	DDGD	
CCc1oc(C=NNC(=O)N2CCOCC2)cc1C(=O)OC	800811287	OOFXAGZNLDJHJH-UHFFFAOYSA-N	309.322	1.004	50	20	DDGD	
COc1ccccc1[C@H](C)CC(=O)NNC(=O)[C@@H]1CCCCO1	295571066	NPRLAKHVSVFEPP-DOMZBBRYSA-N	320.389	1.905	50	20	DDGD	
C[C@H]1CCC[C@@](CNC(=O)NNc2ncncc2F)(N(C)C)C1	292895947	BKHLXBFIWXGHHW-XHDPSFHLSA-N	324.404	1.752	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1cccnc1)Nc1ccc(Cl)cc1	802017219	DMIDPRLNEBWZIL-LBPRGKRZSA-N	320.736	1.621	50	20	DDGD	
O=C(NNc1cc(Cl)nc(Cl)c1)[C@@H]1CCS(=O)(=O)C1	819741076	DQYBUDVVINBUMP-ZCFIWIBFSA-N	324.189	1.266	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2CCc3nncn3C2)cc1Cl	816084469	DUBURPGFFZVSAN-SNVBAGLBSA-N	316.752	1.509	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1	819131962	SFNKVJUFBZANKH-LBPRGKRZSA-N	307.394	1.115	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)CCc2nc[nH]n2)cc1C	812724395	BTYBRGKOSLNYLM-UHFFFAOYSA-N	317.349	1.366	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cccnc1-c1cnn(C)c1	816831301	OAQSASMQVDTKQT-UHFFFAOYSA-N	301.350	1.289	50	20	DDGD	
CN(C[C@](C)(O)c1ccccc1)S(=O)(=O)CBr	819913188	YXFIMHMZCFFSNV-NSHDSACASA-N	322.224	1.508	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C1CCN([C@@H]2CCSC2)CC1	816831518	WNBCOXMOVRKSTG-CYBMUJFWSA-N	313.467	1.397	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1c[nH]c(C(=O)O)c1	814764166	SVFKTVMTQUSWLP-LLVKDONJSA-N	306.366	1.285	50	20	DDGD	
COC(=O)[C@@H]1C[C@H]2CC(=NNC(=O)c3ccc(O)c(O)c3)[C@H]1C2	817327628	MZWZBNIYZHBDGL-INTQDDNPSA-N	318.329	1.403	50	20	DDGD	
CC(C)(C(=O)NN=C1CCS(=O)(=O)CC1)c1ccccc1	814842126	SQVHOEHKXAMJFG-UHFFFAOYSA-N	308.403	1.645	50	20	DDGD	
Cn1c(NNC(=O)CCCNC(=O)C2CC2)nc2ccccc21	816578964	WUTUXTBAMLKORZ-UHFFFAOYSA-N	315.377	1.323	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	812539602	GVHCRAWBBSTBLP-NWDGAFQWSA-N	322.409	1.824	50	20	DDGD	
CC(=NNC(=O)Nc1ccc2c(c1)OCO2)c1cnn(C)c1	814992088	AMPBFWJZQZVBIV-UHFFFAOYSA-N	301.306	1.695	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)CCc2ccccc2O)o1	729934953	VGJJDVJDWPOOJI-UHFFFAOYSA-N	316.313	1.855	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CCCCN2C)cc1F	823434163	ATAYSIJEFIHMEU-ZDUSSCGKSA-N	309.341	1.540	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1ccc2c(c1)C(=O)NC2=O	728595137	ZDESKBFVQKWGLQ-UHFFFAOYSA-N	318.333	1.159	50	20	DDGD	
CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCO1	823948383	KBOVKHIUYPIRFC-LBPRGKRZSA-N	300.322	1.151	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=O)COc2cc(C)cc(C)c2)CC1	822194851	WOVAHBYPVGUSBV-UHFFFAOYSA-N	318.373	1.589	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc2oc(S)nc2c1	823755141	CEASYQNFEGIRGC-UHFFFAOYSA-N	308.363	1.861	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCSc1ccccc1	825534653	RNRQWKUKZDFVSD-AAEUAGOBSA-N	323.418	1.534	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C1CCC(O)CC1	496872327	DLRCCILTCSIGBN-ABLWVSNPSA-N	323.393	1.310	50	20	DDGD	
COc1ncc(/C=C\C(=O)NNc2nccnc2C(C)C)cn1	493070928	NBXJQXGDIIHQIU-PLNGDYQASA-N	314.349	1.555	50	20	DDGD	
COCn1ccc(C(=O)NNC(=O)CCCc2ccccc2)n1	825744325	KJVSQEGKSLHDCG-UHFFFAOYSA-N	316.361	1.271	50	20	DDGD	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCB(O)O	585061438	SGZBDJNAWAQZCF-UHFFFAOYSA-N	310.571	1.514	50	20	DDGD	
C=C(CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccccc1	827072841	WXEAAUHCYGCFCV-TZMCWYRMSA-N	303.362	1.455	50	20	DDGD	
CC[C@H](C)c1nc(C)c(CC(=O)NN(C)[C@@H](C)CO)c(C)n1	823913344	SBHAJNQHDWEBHC-QWRGUYRKSA-N	308.426	1.493	50	20	DDGD	
Cc1cc(C)cc(CCC(=O)NNC(=O)CN2CCCC2=O)c1	827820483	WHSAFMFJPPCGEN-UHFFFAOYSA-N	317.389	1.006	50	20	DDGD	
Cc1ccc(Oc2ccc(OCC(=O)NCB(O)O)cc2)cc1	585061208	SIINDBMOAFUPPF-UHFFFAOYSA-N	315.134	1.294	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@@H]1CCOC2(CCC2)C1	900386474	XCUZBHFDGPANSG-LLVKDONJSA-N	307.350	1.459	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)Nc2ccc(=O)n(C)c2)cc(C#N)n1C	490612308	WWALTRSYUXWVNX-MLPAPPSSSA-N	321.340	1.450	50	20	DDGD	
Cc1cccc2oc(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)cc12	823475605	QJUDAQNMNKTFPT-QWRGUYRKSA-N	302.330	1.927	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC(C)C)c(C)n1-c1cnn(C)c1	820713364	DJWSKTQVZZUKGB-UHFFFAOYSA-N	317.393	1.635	50	20	DDGD	
CN(C)c1cccc(CNC(=O)NNC(=O)OC(C)(C)C)n1	494002908	VGBYZYXXLZWADM-UHFFFAOYSA-N	309.370	1.387	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CN(C)C[C@H](C)C#N)cc1C	736308113	GJNNUJIVLGYZEB-SNVBAGLBSA-N	322.434	1.471	50	20	DDGD	
C=CC(C)(C)CNC(=O)NNC(=O)c1ccc(OC)cc1OC	836285359	HQRSYVRVJSLQDH-UHFFFAOYSA-N	321.377	1.860	50	20	DDGD	
O=C(N[C@H]1C[C@]12CCCc1ccccc12)c1cccc(B(O)O)c1	584966368	YICBUQGDRBOTCE-HKUYNNGSSA-N	321.185	1.143	50	20	DDGD	
COc1ccnc(NNC(=O)/C=C/c2ccc(OC)c(O)c2)n1	492519027	DJUMKMRHINMMHG-GQCTYLIASA-N	316.317	1.356	50	20	DDGD	
CCOc1ccc(NCc2cccc(B(O)O)c2)cc1OC	585011985	JJDHATQFZRGJAN-UHFFFAOYSA-N	301.151	1.386	50	20	DDGD	
Cc1nc(COC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)no1	731548537	FKHHXYDGGYDMIT-QCDXTXTGSA-N	311.301	1.547	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCC[C@@H]1c1ccccc1	732532710	NVCRGXAEOWDYEO-WCQYABFASA-N	323.418	1.364	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@](C)(O)C2CCC2)c1F	837060353	BGGWXDGCPIOIEC-HNNXBMFYSA-N	310.325	1.607	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(C(=O)O)c(F)c2)nc(C)n1	832898530	OFFUAROLPFAWRF-UHFFFAOYSA-N	304.281	1.688	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@]2(Cl)C[C@H]3CC[C@H]2O3)c1	907264890	NEULVJJMSLWMGV-JMSVASOKSA-N	324.764	1.845	50	20	DDGD	
C[C@@H]1NC(=O)N(CCOC(=O)/C(C#N)=C\c2ccccc2)C1=O	837680006	WOUWQHNRKCCXPC-KWJWQAOWSA-N	313.313	1.077	50	20	DDGD	
Cc1nc(-c2ccc(C(=O)N3CC[C@@H](B(O)O)C3)s2)cs1	585066902	NTOPVLFYYSKREM-SECBINFHSA-N	322.220	1.869	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNC(=O)c1cc(Cl)ccc1O	732262530	BUOHGSCXGGXDJU-NSHDSACASA-N	311.769	1.291	50	20	DDGD	
C[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)CC12CCC2	584969031	AEFJGCYYTOXYGH-LLVKDONJSA-N	305.158	1.158	50	20	DDGD	
C[C@H](N)C[C@@H](C)NC(=O)NNC(=O)c1cccc2ncccc12	831212388	OMIKUTHJMCCJPK-WDEREUQCSA-N	315.377	1.305	50	20	DDGD	
Cc1c(NNC(=O)NC[C@@]2(C)CCC(=O)N2)cccc1[N+](=O)[O-]	838732841	HJCYGCMUXNIUQT-CQSZACIVSA-N	321.337	1.198	50	20	DDGD	
OB(O)[C@@H]1CCN(c2ncc(Br)cc2Cl)C1	585073481	LWOPKGUBVYGMJY-ZCFIWIBFSA-N	305.368	1.551	50	20	DDGD	
COc1ccc(NNC(=O)Cc2nnc(C)s2)c([N+](=O)[O-])c1	830497876	JVUORJORWSWJRK-UHFFFAOYSA-N	323.334	1.449	50	20	DDGD	
C[C@@H](Oc1cccnc1)C(=O)NNc1ccc(C(=O)O)cn1	833543792	WOCSOWATNCSRFZ-SECBINFHSA-N	302.290	1.085	50	20	DDGD	
C[C@@H]1CN(CCC(=O)NNC(=O)[C@H](C)C2CCC2)C[C@@H](C)O1	839473799	JQPUCAHBDAFIRY-JHJVBQTASA-N	311.426	1.069	50	20	DDGD	
CCc1c(C(=O)NNC(=O)C2CCC2)cnn1-c1ccccc1	732144293	RNSWQUOROXFBDS-UHFFFAOYSA-N	312.373	1.996	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1nc2ccccc2s1	917576132	LFSMTEIVOLUNOB-UHFFFAOYSA-N	316.386	1.759	50	20	DDGD	
C[C@H]1CC[C@@H](CNC(=O)NNC(=O)c2cc3c(s2)CCC3)O1	838742137	ONRBLAFYILVHBP-ONGXEEELSA-N	323.418	1.748	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C1	744385252	UWYBNMVGYWMIED-BETUJISGSA-N	314.389	1.297	50	20	DDGD	
O=C(Cc1ccncc1)NN=C1C(=O)Nc2ccc(Cl)cc21	747640752	JESXDGHOAZOGDX-UHFFFAOYSA-N	314.732	1.750	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(C)C[C@@H]1Cc1ccccc1	846512664	XKTOVNRAVTZEKC-WAIALKQBSA-N	313.401	1.816	50	20	DDGD	
CC[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccccn1	748285495	KAXSERWRTMWNDR-ZDUSSCGKSA-N	317.320	1.839	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)N1[C@H]2CC[C@H]1COC2	841579555	CLFNUOWPHHEHGY-STQMWFEESA-N	319.361	1.060	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1nc(Cl)sc1Cl	848237169	UMMYPZLMVIHTQT-CRCLSJGQSA-N	324.189	1.636	50	20	DDGD	
CN(C)C(=O)CCNC(=O)NNc1c(F)cc(F)cc1F	914198608	JKDVQNGQVPWLEW-UHFFFAOYSA-N	304.272	1.208	50	20	DDGD	
CC(CN1Cc2ccccc2C1=O)=NNC(=O)[C@H]1CCO[C@@H]1C	842561001	OEXAPABWEDMAIS-OCCSQVGLSA-N	315.373	1.560	50	20	DDGD	
O=C(CNC(=O)Nc1ccccc1)NNC(=O)C1CCCC1	914848882	JBAYHOVUJZHJNB-UHFFFAOYSA-N	304.350	1.146	50	20	DDGD	
C[C@@H]1CCC[C@H](OCC(=O)NNc2ccnc(N(C)C)n2)C1	740107208	DZLOSZBQSCADLW-NEPJUHHUSA-N	307.398	1.581	50	20	DDGD	
C[C@@H](C(=O)NNc1ccccc1S(C)(=O)=O)C(F)(F)F	743369064	YBKCUCJZNVBCLE-ZETCQYMHSA-N	310.297	1.732	50	20	DDGD	
COC(=O)[C@@H](Cc1ccc(Cl)cc1)NNC(=O)CC1CC1	842151174	WTNJSLHTJNVRHM-CYBMUJFWSA-N	310.781	1.845	50	20	DDGD	
CCC(CC)(CO)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	847286618	WBVZCXGOJZMQMB-UHFFFAOYSA-N	324.377	1.264	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(F)cc(Cl)c1	843654593	SBXAGWUFSOTSPR-WRWORJQWSA-N	300.717	1.665	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)CCCn2cncn2)o1	749941316	FSTOVNJUDHZPML-UHFFFAOYSA-N	303.326	1.185	50	20	DDGD	
CCCc1ccc(NC(=O)NN(C)C(=O)N2CCNCC2)cc1	841017782	ZIXRZRAYQKGSIU-UHFFFAOYSA-N	319.409	1.633	50	20	DDGD	
O=C(NNc1ccccc1Cc1ccccc1)[C@]1(O)CCOC1	846461250	LJJMQJDFJYQLRY-SFHVURJKSA-N	312.369	1.872	50	20	DDGD	
COCC(=NNC(=O)COc1ccccc1[N+](=O)[O-])C(C)C	741455736	DOVZNEMUYVSGHP-UHFFFAOYSA-N	309.322	1.748	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(OC(C)=O)c(OC)c1	920830437	WHCVWFTYWCHZFU-UHFFFAOYSA-N	323.349	1.290	50	20	DDGD	
O=C(N1C[C@@H]2CNC[C@@H]2C1)[C@@]12CC[C@@H](C[C@H]1Br)C2	846679611	FTCVCILTMLGTJN-YCGPCKTQSA-N	313.239	1.618	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)s1	843649814	XRDOAEYSYYOTBB-MNOVXSKESA-N	324.402	1.592	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)[C@@H]1CCCN1C(=O)C1CC1	855462450	WCOLBKTWRPVWEG-NSHDSACASA-N	308.769	1.579	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)c1cc2c(s1)CCC2	921167063	YELWPTQEWJSRSQ-JTQLQIEISA-N	308.403	1.979	50	20	DDGD	
CCc1ccc(CC(=O)NN(C)C(=S)NCCCOC)cc1	854281675	HSMNUSSQOWSULI-UHFFFAOYSA-N	323.462	1.666	50	20	DDGD	
O=C(NN=Cc1cccc(Cl)c1)N[C@@H]1CCS(=O)(=O)C1	920382090	WVULDZMRPDBVTQ-LLVKDONJSA-N	315.782	1.160	50	20	DDGD	
CCC1(C)CCC(=NNC(=O)Cc2cc(O)nc(O)n2)CC1	751530441	XSVHESPGDPCTQV-UHFFFAOYSA-N	306.366	1.893	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C	856379448	FJYFHPRONMNTCA-KPMWUXBGSA-N	311.382	1.802	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1Cl	753317868	ZCEDRCJIFXFCFU-SECBINFHSA-N	313.766	1.089	50	20	DDGD	
CCN1CC[C@H](NC(=O)NNc2cc(Cl)ccc2C)C1=O	922385281	YLIPTGYTVXYROS-NSHDSACASA-N	310.785	1.895	50	20	DDGD	
CC(C)(O)[C@H](Oc1ccccc1)C(=O)NNc1ccncn1	854746488	BJRBOQJFLGHBKS-CYBMUJFWSA-N	302.334	1.138	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCC[C@@H](C)N(C)C)cc(C#N)n1C	855410852	JZMXFJWUWFZRKE-AZZDOICSSA-N	313.405	1.569	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCO[C@](C)(c2ccccc2)C1	759754846	OMXUHEWVHFHJND-DYVFJYSZSA-N	319.405	1.180	50	20	DDGD	
CCCC[C@H](C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)C(C)C	857573192	WIEXMCRUHLCILE-KGLIPLIRSA-N	318.483	1.941	50	20	DDGD	
CCN1C(=O)C(=NNC(=O)NCCCOC)c2cc(C)ccc21	920830474	XRNGRNQBBWBAEN-UHFFFAOYSA-N	318.377	1.401	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)CSc1ccncc1)C1CC1	855104671	SUMYJFRFJKSQIQ-SECBINFHSA-N	310.448	1.468	50	20	DDGD	
Cn1cc(C(=O)NCCCSC#N)c2ccccc2c1=O	854359027	BGUFKPRMOCRRMI-UHFFFAOYSA-N	301.371	1.873	50	20	DDGD	
CC[C@@H]1CCCN1CC(=O)NNC(=O)c1cccc(C#N)c1	756513727	IGKWFLMYEQALCS-CQSZACIVSA-N	300.362	1.194	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1csc(Cl)c1	854284581	PPRMOACIUVCGPL-UHFFFAOYSA-N	321.855	1.889	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccccc1Oc1cccc(F)c1	756166762	NZCXMOBQLUARKO-UHFFFAOYSA-N	319.292	1.763	50	20	DDGD	
Cc1ncc(C=NNC(=O)CCCNC(=O)OC(C)(C)C)n1C	853325287	FOMVKDSXAHKZOP-UHFFFAOYSA-N	323.397	1.484	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)C1(C(F)(F)F)CCCCC1	854290845	HBHKDYYMVOBZHV-UHFFFAOYSA-N	323.315	1.171	50	20	DDGD	
CS[C@@H](C)CC(=O)NNC(=O)c1nnc(O)c2ccccc12	756862408	BZGBEHLVIZBJGB-QMMMGPOBSA-N	320.374	1.238	50	20	DDGD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)NC1CCCCC1	921020575	VXJICCTYAUQCSC-AAEUAGOBSA-N	313.398	1.234	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCCOc1ccc(C)cc1C	854923332	RKYYMJJKSJEQRO-UHFFFAOYSA-N	309.435	1.930	50	20	DDGD	
COCCC1(CNC(=O)NNC(=O)c2cccc(F)n2)CCC1	852204431	RULBNZKFBKHNQC-UHFFFAOYSA-N	324.356	1.372	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc([N+](=O)[O-])cc2OC)nc1	757600756	BSSMWBICFKWNNQ-UHFFFAOYSA-N	318.289	1.764	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1ccc(N)cc1C	758118639	ZPKNUTKPWUVAGN-UHFFFAOYSA-N	314.345	1.440	50	20	DDGD	
CCC(N)(CC)CNC(=O)NC[C@@]1(C)C[C@H]1Br	857104637	VEVHHPKBRUYVIH-MWLCHTKSSA-N	306.248	1.977	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)COc1ccc(C#N)cc1	759000222	OSPDGEWXJAGCEG-UHFFFAOYSA-N	319.361	1.147	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C/c2ccccc2-n2cncn2)n1	759086171	QTSOZBSOFWNCEQ-MDWZMJQESA-N	319.328	1.546	50	20	DDGD	
COc1nccc(NC(=O)NC[C@]2(C)C[C@H]2Br)n1	856860114	QZBKYBILGHEMLL-HQJQHLMTSA-N	315.171	1.780	50	20	DDGD	
CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)NNc1cccnn1	852691657	JWYFCDIHMGXLBO-IINYFYTJSA-N	307.354	1.225	50	20	DDGD	
CC(C)[C@@H]1C[C@H](C(=O)NNC(=O)N=c2cc[nH]cc2)CCO1	935858397	WXNUPLPSKAAWON-YPMHNXCESA-N	306.366	1.107	50	20	DDGD	
Cc1ccoc1CC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855828484	CJZPSDWKNOTTQW-UHFFFAOYSA-N	323.393	1.220	50	20	DDGD	
CCOCCOCCCC(=O)NNc1nc2ccccc2n1C	857256546	KOGYIUNNPBEDQK-UHFFFAOYSA-N	320.393	1.850	50	20	DDGD	
C[C@@](NC(=O)NNC(=O)c1cnccn1)(C1CC1)C(F)(F)F	933578067	FBQMKXUAHSODRC-LLVKDONJSA-N	317.271	1.152	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1ccc2nc[nH]c2n1	755306880	JXGBALKAVFGFBS-UHFFFAOYSA-N	322.288	1.160	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2nnc(C)s2)c1	854190813	KOIODIPJTZKFBC-UHFFFAOYSA-N	320.374	1.303	50	20	DDGD	
Cc1cc(S(C)(=O)=O)cc(C(=O)NNC(=O)C(C)C)c1C	758090372	QFAZUYIRMSLALS-UHFFFAOYSA-N	312.391	1.124	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1cncc(F)c1	755187935	XWGPELGEHWEXSY-UHFFFAOYSA-N	301.203	1.786	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc2c(c1)CCN2C	752720752	NQVVSOYMKNXXSR-UHFFFAOYSA-N	302.422	1.861	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNc1cccc(C(=O)OC)c1C	869257101	YEANSDULUYQUNN-LBPRGKRZSA-N	307.350	1.139	50	20	DDGD	
C=CCOc1cccc(NC(=O)C(=O)NNC(=O)[C@H](C)CC)c1	764082579	OJHDKMIVDBHWPE-LLVKDONJSA-N	319.361	1.383	50	20	DDGD	
Cc1cocc1C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	862202189	BJCQIODPDHPIDJ-UHFFFAOYSA-N	309.366	1.292	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cn(C2CC2)nn1	861704150	UNYUGPOFKYZSAU-UHFFFAOYSA-N	302.294	1.587	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNC(=O)NC2CCCCC2)n1	864460692	ZDCKOACUEQPMGB-NSHDSACASA-N	307.398	1.491	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NN=Cc2ccnn2C)n[nH]1	764800413	OWTMOXRIQAGDDZ-UHFFFAOYSA-N	324.344	1.583	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccn([C@@H](C)c2ccccc2)n1	760075850	GLJFYGSIHXOBFJ-JTQLQIEISA-N	303.322	1.885	50	20	DDGD	
CCCc1cc(C(=O)NNCC(F)(F)C(F)(F)F)n[nH]1	863091395	HZNKNKPSNICMRY-UHFFFAOYSA-N	300.231	1.794	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)COCCOC)c1ccc(F)cc1	869907493	NKVXTUUJAHNGRB-CYBMUJFWSA-N	312.341	1.130	50	20	DDGD	
COCCCn1cc(C(=O)NN(C)C(=O)OC(C)(C)C)cn1	861957777	HVYRHGMMVHMRGB-UHFFFAOYSA-N	312.370	1.431	50	20	DDGD	
CCOC(=O)C1(CC(=O)NNC(=O)c2cc(C)cs2)CCC1	862477113	HRSUYEISQQUEIL-UHFFFAOYSA-N	324.402	1.941	50	20	DDGD	
CCCC1(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)CC1	760359585	FAXUKKXYEYSMHK-UHFFFAOYSA-N	324.402	1.431	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1C[C@@H]2CCC[C@H](N)[C@H]2C1	866757810	GJYGQWZLPMSEAF-SRVKXCTJSA-N	308.875	1.640	50	20	DDGD	
CCN1CCOC[C@@H]1C(=O)NNc1cccc(F)c1Cl	862507063	UBTPJTIRWAIVLC-LLVKDONJSA-N	301.749	1.643	50	20	DDGD	
Cc1nn2c(C=NNC(=O)CC(F)(F)F)c(C)nc2s1	765573434	KWKRYRXRQUXQQP-UHFFFAOYSA-N	305.285	1.810	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NN[C@H](C)C(F)(F)F	862306040	BHDFCMVQTRGLTE-RNSXUZJQSA-N	304.268	1.787	50	20	DDGD	
CCS(=O)(=O)N[C@H](C)C(=O)NNc1ccc(F)c(Cl)c1	863082940	VQIHSIMHWVEAEU-SSDOTTSWSA-N	323.777	1.250	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=C2CCc3cccc(Cl)c3C2)N1	863151443	MEODHMUKIIXFTJ-ZDUSSCGKSA-N	305.765	1.580	50	20	DDGD	
N#Cc1c(F)ccc(C=NNC(=O)CN2CCCC2=O)c1Cl	761767117	MOJYODDAVMAIHH-UHFFFAOYSA-N	322.727	1.423	50	20	DDGD	
CCOc1nccc(C)c1C(=O)NNC(=O)c1ccc(C#N)cc1	765277833	PNPKRAVCEFGELC-UHFFFAOYSA-N	324.340	1.735	50	20	DDGD	
Nc1cnnc(NNC(=O)NOCCC(F)(F)F)c1Cl	1116701201	PAXLSSFKIAIYFS-UHFFFAOYSA-N	314.655	1.222	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)c2nc3ccccc3s2)C1	873084588	RLNZBIUEWLYUKP-KYZUINATSA-N	320.374	1.418	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@H]2CN(C)Cc3ccccc32)cc[nH]1	875427688	SLJRIYSSQNIZKL-INIZCTEOSA-N	311.389	1.625	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)C(=O)Nc1cccc(C#N)c1	773992743	UPWBXCYWXKNODJ-UHFFFAOYSA-N	324.344	1.553	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)c1ccccc1	878782095	KBUMCVOUVZXYRW-AEGPPILISA-N	316.401	1.927	50	20	DDGD	
CCNC(=O)NN=Cc1cccc(Cl)c1S(=O)(=O)CC	774368451	YVRXTORMDCFRPY-UHFFFAOYSA-N	317.798	1.787	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H]1CCN(C)c2ccccc21	1119070886	RXJONESOMVDWCS-GFCCVEGCSA-N	306.435	1.514	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1ccc([N+](=O)[O-])cc1F	777882281	QTRMUNYAHVACLL-UHFFFAOYSA-N	323.309	1.845	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1cccc2c1OCCO2	775544558	VEUHIJDGUQFZMX-UHFFFAOYSA-N	305.269	1.536	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(Cc1ccccn1)C1CC1	772282445	ZEBFWUOXFOCXBB-CYBMUJFWSA-N	318.421	1.628	50	20	DDGD	
CCCCO[C@H]1C[C@H](NC(=O)NN(C)C(=O)OC)C1(C)C	875344488	JCIQOFRJFDJWTP-QWRGUYRKSA-N	301.387	1.883	50	20	DDGD	
CC(C)CCn1ccc(NC(=O)NNC(=O)C2CCOCC2)n1	878958459	VABVPHRWDBLOQV-UHFFFAOYSA-N	323.397	1.509	50	20	DDGD	
Cc1cccc(NNC(=O)NCCC(=O)NC2CCCCC2)n1	875133980	QANXNVKTWDVWBU-UHFFFAOYSA-N	319.409	1.855	50	20	DDGD	
Nc1cc(C(=O)NN=Cc2cccc3nccn23)cc([N+](=O)[O-])c1	771097657	NPFISPSXCRXIIZ-UHFFFAOYSA-N	324.300	1.589	50	20	DDGD	
C[C@H]1CCC[C@@H](CC(=O)NNc2nc(O)c3cnn(C)c3n2)C1	770979041	CDXRTDOFONBPKJ-VHSXEESVSA-N	318.381	1.728	50	20	DDGD	
CN1CC[C@H](C(=O)NNC(=O)C2CCOCC2)c2ccccc21	883067192	YOSQEOMOGXCNAH-AWEZNQCLSA-N	317.389	1.184	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1CCOC(C)(C)C1	1120604086	DZBAURCYNWWMEA-LLVKDONJSA-N	306.362	1.661	50	20	DDGD	
CC[C@@H]1C[C@@H](C(=O)NNC(=O)c2ccc(C)c(O)c2)CCO1	882050055	MZDCPDKTDAIJGS-QWHCGFSZSA-N	306.362	1.667	50	20	DDGD	
CC1=CCC[C@H](C)[C@H]1C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	773200177	HIQLOAVEJLJECS-XQQFMLRXSA-N	313.423	1.451	50	20	DDGD	
CO[C@@]1(C(=O)NNC(=O)CCc2ccccc2)CCSC1	888629503	ZYOUKXSFNPAGAX-HNNXBMFYSA-N	308.403	1.289	50	20	DDGD	
CC(C)CCn1nccc1NC(=O)C(=O)NNc1ccccn1	784795101	QCRXXBJGRTYAQH-UHFFFAOYSA-N	316.365	1.406	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](C)NC(=O)CC1CCCCC1	780711825	OGBOZUIFQULWMV-LLVKDONJSA-N	312.414	1.154	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccn(-c2ccccc2)n1	883061368	RKJOYIQCEJYMHA-UHFFFAOYSA-N	314.345	1.060	50	20	DDGD	
Cn1nccc1[C@H]1CCCN(S(=O)(=O)CCCCl)C1	882165317	VQGFRYREUBVGOZ-NSHDSACASA-N	305.831	1.558	50	20	DDGD	
Cn1nncc1NNC(=O)c1nc2ccccc2nc1C1CC1	880122769	LBEWGDDKQJEKCK-UHFFFAOYSA-N	309.333	1.393	50	20	DDGD	
CCCOc1cc(OC)ccc1C(=O)NN(C)C(=O)NCC	789844616	BBTWTJLDNKMZAC-UHFFFAOYSA-N	309.366	1.790	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(OC)cc2OC)nc1	781533448	CADLAUOWTXKPBH-UHFFFAOYSA-N	303.318	1.864	50	20	DDGD	
COC1CCC(=NNC(=O)c2ccc(-n3cnnn3)cc2)CC1	783809163	AETXPPPIYJZAOJ-UHFFFAOYSA-N	314.349	1.337	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCc1cc(O)n2ncc(C#N)c2n1	786679736	CLVRPKIPMBATNM-KMKOMSMNSA-N	309.285	1.210	50	20	DDGD	
Cc1cncc(NC(=O)C(=O)NNc2ccc(Cl)nc2)c1	784871533	NNNQTZIDWDYBDC-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
CC[C@@H]1C[C@@H](CC(=O)NNC(=O)c2cccc(C#N)c2)CCO1	781646857	PPKKCWLURCRHNG-SWLSCSKDSA-N	315.373	1.915	50	20	DDGD	
Cc1cccnc1NNC(=O)CNC(=O)COc1ccccc1	791222204	DFMWQSXWPDUIBS-UHFFFAOYSA-N	314.345	1.028	50	20	DDGD	
COc1cc(OC2CC2)ccc1C(=O)NNC(=O)NCC1CC1	790513296	GRSAZYSTJQWWMY-UHFFFAOYSA-N	319.361	1.590	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccc2nsnc2c1	798315261	DRFLFXDSVDGSTO-UHFFFAOYSA-N	319.268	1.198	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)c1[nH]ccc1C	797965515	XTOSOFOXFSVZLG-UHFFFAOYSA-N	319.386	1.885	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)CCOCC(F)F	790786960	FZSZNKGYEPUYOU-UHFFFAOYSA-N	322.333	1.205	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C[C@@H]1CCCSC1	794918365	SUKCZXZKNPTRGN-NSHDSACASA-N	306.391	1.057	50	20	DDGD	
Cc1oc(C#N)cc1C(=O)NNC(=O)Cc1cn2ccccc2n1	797907421	HJODGYKKZKKHDP-UHFFFAOYSA-N	323.312	1.111	50	20	DDGD	
Cc1c(C(=O)NNC(=O)N(C)C)sc2ccc(C#N)cc12	794253393	BEFTXUVSQVLHLV-UHFFFAOYSA-N	302.359	1.997	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)ccc1F	1318317250	FCYLBGSSIYESFP-UHFFFAOYSA-N	316.336	1.811	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@H]32)c1Cl	1328993384	WCWQGYXXYIAOIS-MVWJERBFSA-N	315.764	1.741	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)CC[C@@]2(C)CCC(=O)N2)nn1	1320366555	DSWPYZPIBYQCKF-MRXNPFEDSA-N	319.409	1.666	50	20	DDGD	
O=C(NNc1ncc(F)cn1)C(=O)Nc1ccc2[nH]ccc2c1	1320724187	AKXRPKHKUMAASB-UHFFFAOYSA-N	314.280	1.179	50	20	DDGD	
Cc1nnc(CN(C)C(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)o1	1329385877	ZGOPLHPDXZBSKF-WLRTZDKTSA-N	324.344	1.462	50	20	DDGD	
COc1cc(F)cc(NC(=O)NNC(=O)c2cnccn2)c1	1323846408	XLZZCSYURPRKHG-UHFFFAOYSA-N	305.269	1.091	50	20	DDGD	
CCn1cc(C(=O)C(=O)NNC(=O)c2ccccc2Cl)cn1	1324464001	QONHFASCVIKTGJ-UHFFFAOYSA-N	320.736	1.200	50	20	DDGD	
O=C(NNC(=O)c1cnn(C2CCCCC2)c1)c1cn[nH]c1	1329645329	WFASVWFXMJDDQI-UHFFFAOYSA-N	302.338	1.186	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCn2cncc2C1)c1ccccc1Cl	1324297305	BZMFIJRTROMGBD-JTQLQIEISA-N	318.764	1.560	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CCc1nc2cccnc2[nH]1	1251748734	GGXVGGUHAIBRLH-UHFFFAOYSA-N	323.356	1.660	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@H]2CCC[C@H](F)C2)c1	1332070151	KPKNQJDHECDHGN-STQMWFEESA-N	323.368	1.985	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC(C)(C)C(C)(C)O)cc1	1330855210	XECWMZXBQGYKAO-UHFFFAOYSA-N	323.393	1.436	50	20	DDGD	
CO[C@]1(C=NNC(=O)c2cncn2-c2ccccc2)CCOC1	1261373869	SYFFAWDMICUOHM-INIZCTEOSA-N	314.345	1.393	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cnc(NCC)c(Cl)c1	1347905596	NTAJBCRGPKRRQO-UHFFFAOYSA-N	308.769	1.731	50	20	DDGD	
CCCn1nccc1C(=O)NNC(=O)c1ccc(OC)cc1	1261661035	DLZRUSKJJWTZIR-UHFFFAOYSA-N	302.334	1.377	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNC(=O)NC/C=C\C1CC1	1348062594	VAEAZWRQFDYJNK-ARJAWSKDSA-N	314.345	1.234	50	20	DDGD	
Cc1ccccc1OCCN(C)C(=O)NNC(=O)c1cn[nH]c1	1351354670	ZZKWSEHJBKLIKW-UHFFFAOYSA-N	317.349	1.083	50	20	DDGD	
C[C@@H]1C[C@H]2CC[C@H](C(=O)NNc3nc4ccccn4n3)CN2C1	1528267700	LXJMJBWBFQWZRQ-FRRDWIJNSA-N	314.393	1.293	50	20	DDGD	
C[C@@]1(NC(=O)NNc2cc(F)cc(Cl)c2)CCOC1=O	1520133996	SAQKIAPTNLIXLG-GFCCVEGCSA-N	301.705	1.811	50	20	DDGD	
Cc1c(NNC(=O)c2ccc(C(N)=O)o2)cccc1C(=O)O	1600054216	OFNFLSYRVHNHDD-UHFFFAOYSA-N	303.274	1.142	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc(C)c(C(=O)O)c2)n1	1607632195	HFHFJCBFPCIYHI-UHFFFAOYSA-N	300.318	1.857	50	20	DDGD	
O=C(O)c1cc(NNC(=O)C2(F)CCOCC2)ccc1F	1608856596	FUTVOZAWGKHLCG-UHFFFAOYSA-N	300.261	1.486	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C(=O)O)c1ccccc1C(F)(F)F	1604290142	CZKAJFHUWBLTRN-LURJTMIESA-N	319.239	1.181	50	20	DDGD	
CC[C@H](C)OCC(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1604965997	OLJIGBHYGAXROM-VIFPVBQESA-N	315.395	1.395	50	20	DDGD	
O=C(Cc1cnn2ccccc12)NNc1ccc(C(=O)O)cn1	1608369890	LVCBGRBVWFJBGB-UHFFFAOYSA-N	311.301	1.113	50	20	DDGD	
O=C(O)[C@@H](C(=O)NNc1ncc(Cl)cc1Cl)C1CC1	1605900627	DTLOSXADBWIZDE-MRVPVSSYSA-N	304.133	1.942	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2cccc(-c3nn[nH]n3)c2)cn1	1539570270	VRSPKUISPLGAOC-XGICHPGQSA-N	320.316	1.146	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)O[C@@H](CC(C)(C)C)C(=O)O)cn1	1600944523	AQJXPDJNUNRWOG-JVOXIWMLSA-N	305.334	1.760	50	20	DDGD	
COCCCCCNC(=O)NNc1ccc(C(=O)O)c(F)c1	1610256240	OQSWHEJLMOPQPT-UHFFFAOYSA-N	313.329	1.967	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2cc3n(n2)CCC[C@@H]3N)c1	1579705870	HNFVLYMKCKLNGY-NSHDSACASA-N	303.341	1.881	50	20	DDGD	
CNC[C@H](O)[C@H](C)C(=O)NNc1cccc(Cl)c1Cl	1578644146	GFKLVJACBVRKML-XVKPBYJWSA-N	306.193	1.653	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1C	1579985150	ZECIZRJTNATSNV-UHFFFAOYSA-N	324.344	1.941	50	20	DDGD	
Cc1cccc(NNC(=O)NCc2cccc(C(=O)O)c2)n1	1574727936	KABCANJKGGPKQB-UHFFFAOYSA-N	300.318	1.915	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)[C@@]12CNC[C@@H]1CCOC2	1580739472	GLURIZNTUAVKSR-SUMWQHHRSA-N	312.373	1.304	50	20	DDGD	
CC(C)OCC(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843361423	GAAJRNDXTJYZCS-LLVKDONJSA-N	306.765	1.149	50	20	DDGD	
O=C(CC[C@@H]1CCCNC1)NNC(=O)c1ccc(Cl)cc1	1580528778	TXPGJXUWISWLFP-NSHDSACASA-N	309.797	1.881	50	20	DDGD	
COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)CC(C)C)C1	1842632799	RZDJJBZLKLRBMU-LBPRGKRZSA-N	316.829	1.490	50	20	DDGD	
CC(C)[C@@H](C(=O)O)C(=O)NNC(=O)c1cccc2ccccc12	1588808834	YXYFYAZFOHWIKD-CQSZACIVSA-N	314.341	1.958	50	20	DDGD	
C[C@@H]1CC[C@H](CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)O1	1590229949	MTOYHVRMXYASJG-BXKDBHETSA-N	317.353	1.060	50	20	DDGD	
O=C(NN=c1cc[nH]c2cccnc12)Nc1cccc(C(=O)O)c1	1594781493	BKFWDAKRAKPUTO-UHFFFAOYSA-N	323.312	1.899	50	20	DDGD	
CCC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1cn[nH]c1	1590358678	BVPZENTVBAUCMV-UHFFFAOYSA-N	310.321	1.134	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2c[nH]c(C(=O)O)c2)c1	1598999750	PRSSTVUCQCOKMC-UHFFFAOYSA-N	303.274	1.256	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cc1	1592705154	NEWZHAIBZRAWMQ-PWSUYJOCSA-N	307.350	1.965	50	20	DDGD	
CCOc1ccc(NNC(=O)c2ccc(-c3nn[nH]n3)o2)cc1	1590838994	QOQGXIMOBGJJKW-UHFFFAOYSA-N	314.305	1.615	50	20	DDGD	
N#C[C@@]1(C(=O)NNc2ncccc2C(=O)O)CC12CCCC2	1594600943	DGQDHMNNHBJOCH-OAHLLOKOSA-N	300.318	1.697	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NN=Cc1cc(C(=O)O)cs1	1776098666	SWEVNFYETFXSSE-NSHDSACASA-N	309.391	1.769	50	20	DDGD	
COc1cc(C=NNC(=O)C2CCOCC2)ccc1C(=O)O	1776103063	NUDKGGZWIWMODC-UHFFFAOYSA-N	306.318	1.270	50	20	DDGD	
COc1cncc(C=NNC(=O)Nc2ccc(C(=O)O)cc2)c1	1776046048	YMPKOGOSNCBQDK-UHFFFAOYSA-N	314.301	1.944	50	20	DDGD	
CO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl	1796810085	OWPBDOSIZBYBDK-NZFPMDFQSA-N	306.765	1.194	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl)c1cnc[nH]1	1796804485	VUQWGJDUKBOXGH-DKIAZLNASA-N	314.748	1.196	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@@H]1COc2ccccc2C1	123870476	GIXHMMIFLWINIP-LBPRGKRZSA-N	303.811	1.929	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)CC2(CS(C)(=O)=O)CC2)c1	150766571	QXLGTWRMWIWQDS-UHFFFAOYSA-N	314.382	1.792	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)Sc2ccccn2)[nH]n1	151167753	DWYKKVKUJRRNII-VIFPVBQESA-N	305.363	1.055	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)c1cc(-c2ccccc2OC)n[nH]1	151236918	YQEGSTXFIOGHMN-SNVBAGLBSA-N	316.361	1.892	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccn2Cc2ccccc2)[nH]n1	151220725	IUSAVMYYEXDDHP-UHFFFAOYSA-N	323.356	1.643	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@H]1CCC[C@@H]2OCC[C@H]12	151695975	SFQJKRKVRJOKGQ-RDBSUJKOSA-N	303.362	1.588	50	20	DDGD	
N#Cc1cccc(NNC(=O)CCNC(=O)c2cccs2)c1	152647278	CWBCUQFQZJFKGK-UHFFFAOYSA-N	314.370	1.883	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(C)n[nH]2)cc([N+](=O)[O-])c1	153036035	XGMUYAWPFBVCSP-UHFFFAOYSA-N	303.278	1.010	50	20	DDGD	
CC1(C)NC(=O)N(CCCC(=O)NNc2ccccc2F)C1=O	153317323	UVPUUKPLWRSIFL-UHFFFAOYSA-N	322.340	1.379	50	20	DDGD	
CCC(C)(CC)C(=O)NNC(=O)Cc1cn2ccccc2n1	159398746	OHTFIBSRGHQKGH-UHFFFAOYSA-N	302.378	1.851	50	20	DDGD	
NC(=O)CN(Cc1ccccc1)S(=O)(=O)CCCCCl	154188196	APHWZEHGGPMMCJ-UHFFFAOYSA-N	318.826	1.323	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1ccccc1	8350202	GYQYKFDWEHZIGY-UHFFFAOYSA-N	321.377	1.753	50	20	DDGD	
CCc1nnsc1C(=O)NNC(=O)c1cccc(Cl)c1	27328760	JGRXDISRIWRDPQ-UHFFFAOYSA-N	310.766	1.829	50	20	DDGD	
O=C(CCC(=O)NC1CCCC1)NNC(=O)NC1CCCCC1	179165400	NZMNVZHJTHVPLB-UHFFFAOYSA-N	324.425	1.489	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1cccnc1Cl	106296483	FSXFABHDOGWGNL-UHFFFAOYSA-N	319.748	1.834	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2cccc(C#N)c2)n1	175264241	KBDXCCPPGQQCNR-UHFFFAOYSA-N	312.333	1.492	50	20	DDGD	
COC(=O)CCCC(=O)NNc1ccc(C(F)(F)F)cn1	119493569	VWNMNSWTEUUENZ-UHFFFAOYSA-N	305.256	1.887	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccccc2)CC1)N1CCOCC1	175810875	XJOFMTDPUNCEEJ-UHFFFAOYSA-N	303.362	1.082	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCC(C)(C)CCO)cc(C#N)n1C	305210808	PKIXDOGYNKEQNO-AUWJEWJLSA-N	314.389	1.637	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)c(C)o1	26774180	HHQGONPDQJXXPJ-UHFFFAOYSA-N	323.393	1.600	50	20	DDGD	
Cn1c(=O)oc2cc(NC(=O)NNc3cnccn3)ccc21	179838486	FNSDHHOZUCTLDQ-UHFFFAOYSA-N	300.278	1.070	50	20	DDGD	
CSC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	172389249	LVKHQOCKEKUCOL-ASOMJZDJSA-N	302.403	1.980	50	20	DDGD	
COc1cccc(C(=O)NNc2ccc(Cl)nn2)c1OC	118503861	AOWXTCBAICNADL-UHFFFAOYSA-N	308.725	1.904	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNC(=O)COc1cccc(C)c1	68516509	YLEOKVLOCJWFHB-CYBMUJFWSA-N	308.378	1.726	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1	179367047	RLGDNBUPLSHEPT-CVCOIXHCSA-N	315.377	1.832	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)C1(c2ccccc2F)CC1	120198587	AXKLPMLBPXKDIG-UHFFFAOYSA-N	313.332	1.642	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCc1c[nH]c2ccccc12	65208501	VITXRCMCRRARRY-UHFFFAOYSA-N	318.377	1.467	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccnc3ccccc23)n1	302711159	RRJRLSHJNQBRNG-UHFFFAOYSA-N	323.356	1.509	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2	66697925	VMYDPNGEUVJLSC-LBPRGKRZSA-N	319.405	1.993	50	20	DDGD	
COC(=O)c1cccc(CC(=O)NNC(=O)CC(C)(C)C)c1	121445706	WDCRDGSCQDDAAM-UHFFFAOYSA-N	306.362	1.599	50	20	DDGD	
CC1(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CCCC1	302168149	CTICWTVBWTYHKE-CYBMUJFWSA-N	304.346	1.554	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Cc1c(Cl)cccc1Cl	75653116	GAWZNGUKIJALJS-UHFFFAOYSA-N	304.177	1.245	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(F)c(F)c(F)c1F	121360709	NOICQXAQIFBCPO-UHFFFAOYSA-N	307.247	1.987	50	20	DDGD	
CCc1ccnc(C(=O)NNc2nc(-c3ccncc3)no2)c1	181052439	FBMQVVNYNWKISE-UHFFFAOYSA-N	310.317	1.846	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCC(C)(C)C2CCCC2)cn1	125691019	HZSWLJPXPNAOLF-UHFFFAOYSA-N	307.398	1.581	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)CC2CCCC2)c1	125815168	SQJGHWASSKGLNQ-UHFFFAOYSA-N	303.362	1.661	50	20	DDGD	
O=C(NCCN1CCOCC1)NNc1c(F)cccc1Cl	184750683	HLDYJVBKPYAMCJ-UHFFFAOYSA-N	316.764	1.437	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)COCC1CC1	76340653	AWYPSGGFXDEUBF-UHFFFAOYSA-N	312.753	1.536	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1	187456582	JWLGCMUGPZDUQR-HUUCEWRRSA-N	319.405	1.765	50	20	DDGD	
O=C(NCCCN1CCCCCC1=O)NNc1ccccn1	79253157	ZHBFPKRNIMICKN-UHFFFAOYSA-N	305.382	1.500	50	20	DDGD	
CC(=O)N1CC[C@@H](NC(=O)NNc2cc(F)c(F)cc2F)C1	120894639	HEZKTAXOLORLOK-MRVPVSSYSA-N	316.283	1.351	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C\c2cn(C)nc2C(C)(C)C)n1	180319843	OQMWVKGQCSBYNA-FLIBITNWSA-N	312.377	1.997	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@@H](C)C2CCC2)c1	121298552	QWQUKODIRQSDSG-LBPRGKRZSA-N	305.378	1.893	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	188904309	QOJGJJVEYULTIZ-NSHDSACASA-N	319.336	1.701	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2ccccn2)nn1-c1ccccc1	181242345	WNWDTIPKNVVPSN-UHFFFAOYSA-N	321.340	1.693	50	20	DDGD	
O=C(NNC(=O)c1cccc2ncccc12)N[C@@H]1CCSC1	75464520	OFNYYLLXLJXQGK-SNVBAGLBSA-N	316.386	1.684	50	20	DDGD	
CC(=O)NNC(=O)c1nn(-c2ccccc2F)c2c1CCC2	42998491	IFPGSQBFWUXUBX-UHFFFAOYSA-N	302.309	1.281	50	20	DDGD	
CCCNC(=O)c1cccc(C(=O)NNC(=O)C(C)(C)C)c1	131556555	FXJZFDOKXGEEGE-UHFFFAOYSA-N	305.378	1.634	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2	246718859	UVTPMBPRYXYUIS-KKUMJFAQSA-N	302.374	1.787	50	20	DDGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CCO[C@H]2C[C@H]21	813735193	XWTGVLOLBUSPAL-OLZOCXBDSA-N	301.795	1.630	50	20	DDGD	
CNC(=O)c1ccc(/C=C/C(=O)NNC(=O)C2CCC2)cc1	264832742	ZLORCDSNYDVJOY-JXMROGBWSA-N	301.346	1.007	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2CCC[C@H](SC)C2)n1	265403821	WWLWKHWYQZHPMD-ZJUUUORDSA-N	311.411	1.786	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)NC2CCC2)c1C	265799650	MZTGQQVYQMJZKD-LBPRGKRZSA-N	305.378	1.954	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N(C)CCCOC(C)C	265896704	GRPUQKJGUASIIF-UHFFFAOYSA-N	323.393	1.797	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C2CCSCC2)cc1	264830665	QKHSQGQXUGJSQO-UHFFFAOYSA-N	307.419	1.698	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H]1CSCCS1	264552849	ZBCFWQXLNLLRFJ-LLVKDONJSA-N	312.416	1.305	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1nnc(-c2ccccn2)s1)N(C)C	276478319	QHMNGONYBLYYOS-NSHDSACASA-N	320.422	1.629	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CCCN2C2CCCC2)nc1	275462103	DKVHVMMKBDZMIN-CQSZACIVSA-N	304.394	1.940	50	20	DDGD	
CCCN(CCC)C(=O)CCC(=O)NNc1nccnc1OC	274047629	GNWIWHIDXJYDCK-UHFFFAOYSA-N	323.397	1.357	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1)C1CC1	279883417	IHQDOESNAKPLSY-ZANVPECISA-N	310.325	1.165	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNc1ncc(Cl)cc1Cl	274758341	QESHSTNRNLSWQJ-YFKPBYRVSA-N	307.137	1.576	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1)C1CC1	279900496	JEWCQLJSYYDGGZ-CQSZACIVSA-N	314.345	1.263	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc2oc(C)nc2c1	279537521	MZYMTFWFOKQZMR-UHFFFAOYSA-N	306.322	1.117	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CC[C@H](CO)C2)cc1	270362121	JGAPJMIPGJZKCC-AHSSXEFNSA-N	300.358	1.833	50	20	DDGD	
CCC(=O)N1CCCN(CCI)CC1	372967974	XGVIMCBMFGRKRY-UHFFFAOYSA-N	310.179	1.366	50	20	DDGD	
CC(C)Oc1ccc(NC(=O)NNC(=O)C2CC2)cc1C#N	274115197	MAGVIYFSPSHNSH-UHFFFAOYSA-N	302.334	1.908	50	20	DDGD	
CC(C)c1cc(NC(=O)C(=O)NNC(=O)CC2CCCC2)no1	274042546	GJTFYZCECDXFSE-UHFFFAOYSA-N	322.365	1.464	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@@H](C)n2nnnc2C(C)(C)C)c1	273388595	JNFSYSZEFQNEPC-SNVBAGLBSA-N	303.370	1.378	50	20	DDGD	
Cc1ccc(Cl)c(NC(=O)C(=O)NNC(=O)CC2CC2)c1	274064922	MJVCXSAXCPRGIT-UHFFFAOYSA-N	309.753	1.534	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(OC2CCOCC2)c(C)c1	273260689	XVKZXXZEYHUGBB-UHFFFAOYSA-N	307.350	1.725	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H]1C[C@H](C(=O)OC)c2ccccc21	376865416	XFODJYCWNJMPTF-KZGTWKPJSA-N	314.341	1.948	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CCc3cnn(C)c3C2)cc1	281143898	AZDAOBUPGFGMLG-LLVKDONJSA-N	300.362	1.677	50	20	DDGD	
CSSCCNC(=O)c1cnc2scc(C)n2c1=O	284286530	ZCXACXSHISMIFK-UHFFFAOYSA-N	315.445	1.805	50	20	DDGD	
O=C(C[C@@H]1Oc2ccccc2NC1=O)NCC(Cl)Cl	288151921	GSPYOHLFPPNDPI-VIFPVBQESA-N	303.145	1.696	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@@H]1CCCc2ccccc21	281165580	IMFTXSPLTFUNJK-LLVKDONJSA-N	315.295	1.999	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1	284867821	IQGUXFBZECAIIA-UHFFFAOYSA-N	315.376	1.661	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNC(=O)NCC(F)(F)F	280857941	AYHMEEVGLQWMSQ-UHFFFAOYSA-N	320.271	1.295	50	20	DDGD	
Cn1cc(C(=O)CCC(=O)NNC(=O)CC2CCCC2)cn1	280092644	SSFSAUKQFLRHHG-UHFFFAOYSA-N	306.366	1.111	50	20	DDGD	
CCc1ccc(S(C)(=O)=O)cc1C(=O)NNC(=O)CC1CC1	294101767	JFXJAZPYHBLNTD-UHFFFAOYSA-N	324.402	1.214	50	20	DDGD	
O=C(NCc1ccc(C(F)F)cc1)NNC(=O)[C@@H]1CCCO1	292251668	JSMTWPOBIUWUBS-NSHDSACASA-N	313.304	1.634	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	298659599	OFJUTKUIYPFJJL-GIPNMCIBSA-N	310.325	1.165	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C1CC(O)(CCC(C)(C)C)C1	294518767	SZZQCEFEGYEFSK-UHFFFAOYSA-N	321.421	1.754	50	20	DDGD	
C[C@@H]1CSC[C@H]1NC(=O)NNc1ccc(-n2ccnc2)nn1	805789994	PLRJTRVJRNUDLZ-NXEZZACHSA-N	319.394	1.040	50	20	DDGD	
COCCN(C)NC(=O)c1csc(-c2ncccc2F)n1	297070892	LMOODNXDMYALLN-UHFFFAOYSA-N	310.354	1.567	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H](C)c1ccsc1	807369956	QRXZQWYMDIEHMZ-SNVBAGLBSA-N	314.407	1.788	50	20	DDGD	
O=C(NNc1cccc(F)n1)C(=O)Nc1ccc2c(c1)OCO2	807392367	LUPJQMMRNCRZFA-UHFFFAOYSA-N	318.264	1.031	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(N3CCCC3)nc2)O1	294221033	MFTJVSLHZPLHNP-AAEUAGOBSA-N	318.377	1.010	50	20	DDGD	
COc1cccc(NNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)n1	801948190	RWBGYHQALBDJMG-UHFFFAOYSA-N	321.268	1.477	50	20	DDGD	
CC(C)OC(=O)/C(C#N)=C\c1ccc(F)c(S(N)(=O)=O)c1	806565516	NCRZMGCFVZGKQC-YHYXMXQVSA-N	312.322	1.332	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCCc2ncccc2C)o1	296749654	NTRZHNRWMUDZOK-UHFFFAOYSA-N	316.361	1.868	50	20	DDGD	
CCCCN(C)C[C@@H](C)NC(=O)NNc1cncc(Cl)n1	291725609	QFSZTCNMHAWDID-SNVBAGLBSA-N	314.821	1.877	50	20	DDGD	
COc1cccc(C2(CNC(=O)NNC(=O)C3CCC3)CC2)c1	291785056	GJMBUYICGKIGTK-UHFFFAOYSA-N	317.389	1.857	50	20	DDGD	
CSCc1cccnc1C(=O)NNC(=O)c1cccnc1	809956201	ABFADGGHKNFBFK-UHFFFAOYSA-N	302.359	1.414	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)Nc2ccc(OC)cc2)cn1	803394864	QUQLJSOCHYUPOY-UHFFFAOYSA-N	315.333	1.598	50	20	DDGD	
Cc1cn(-c2ccccc2)nc1C(=O)NNc1ncncc1F	817068052	VVTJUGGXOVEVCI-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
O=C(C[n+]1ccccc1)NN/C=C1/C=C(Cl)C(F)=CC1=O	814695177	PXDSQISFYRIAAY-UHFFFAOYSA-O	308.720	1.038	50	20	DDGD	
CC(=O)Nc1ccc(S[C@H](C)C(=O)NNc2nc[nH]n2)cc1	816632088	SMSFJDRRMXJBBQ-MRVPVSSYSA-N	320.378	1.387	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=C1CC[C@H](C(=O)O)c2ccccc21	814954704	NBGOQDGDTYMJHU-ZDUSSCGKSA-N	312.329	1.435	50	20	DDGD	
CC(=O)c1cccc(O[C@H](C)C(=O)NNc2ncncc2F)c1	817077051	DFZBMJKXHFOOFG-SNVBAGLBSA-N	318.308	1.729	50	20	DDGD	
O=C(NC[C@@H]1C[C@H]2C=C[C@H]1CC2)NNC(=O)[C@H]1CCCCO1	817171605	KWMGNZFCAOXOFS-XDQVBPFNSA-N	307.394	1.488	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1cccc(O[C@H](C)C(=O)O)c1	814910132	RKDVTBGUMXQDLD-SNVBAGLBSA-N	308.334	1.150	50	20	DDGD	
CC(C)(C)C(=O)NN=C1CCCc2ccc(S(N)(=O)=O)cc21	811637527	ASFXKRCSWUIYRE-UHFFFAOYSA-N	323.418	1.537	50	20	DDGD	
CN(NC(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1)C1CC1	819649934	NUFHCGPDFDEKOL-LBPRGKRZSA-N	302.296	1.734	50	20	DDGD	
O=C(C[C@H](C(=O)O)c1ccccc1)NNC(=O)c1ccc[nH]1	814324289	DKHZERFCDYDOEY-NSHDSACASA-N	301.302	1.034	50	20	DDGD	
COc1ccccc1SCC(=O)NN=C1COCCOC1	814890289	YOPVIXWBILELJY-UHFFFAOYSA-N	310.375	1.306	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=C1CCS(=O)(=O)CC1	814724622	UOKDFHCXZSYOHL-UHFFFAOYSA-N	324.402	1.309	50	20	DDGD	
O=C(NNc1ncncc1F)Nc1cccc(-n2cccn2)c1	814599133	CQRCSCKBVQKVPL-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
Cn1nncc1NNC(=O)COc1cc(Cl)ccc1Cl	816769391	GDYALYZYIIDAEI-UHFFFAOYSA-N	316.148	1.644	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C[C@@H](C)n2cccn2)cc1	819009630	OJDSGIHVNBXWGM-CYBMUJFWSA-N	316.361	1.369	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)c(C)o1	814315739	MMKWJGYSHUGWBQ-UHFFFAOYSA-N	317.349	1.824	50	20	DDGD	
COC1(C=NNC(=O)Nc2ccc3c(c2)OCO3)CCOCC1	814994289	LNRSQUFVHZNWRC-UHFFFAOYSA-N	321.333	1.718	50	20	DDGD	
COC(=O)Cc1occ(C)c1C(=O)NNc1cc(C)ncn1	810407693	LMYBLLBEYDGLCW-UHFFFAOYSA-N	304.306	1.159	50	20	DDGD	
COc1ccc(CCC(=O)NN=C2CCS(=O)(=O)CC2)cc1	814814325	HEZKEIJCBHQNEN-UHFFFAOYSA-N	324.402	1.309	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H](CN1CCCC1)c1ccccc1	823884780	JOJXDKLFHVADCK-INIZCTEOSA-N	305.422	1.211	50	20	DDGD	
O=C(NNC(=O)C1CC2(CC2)C1)c1cnn(-c2ccccc2)c1	827595188	MJFZQCSYPMWSPU-UHFFFAOYSA-N	310.357	1.824	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNC(=O)Cc1c[nH]c2ccccc12	820630436	MXUKLAYTEACDNL-CYBMUJFWSA-N	312.373	1.843	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H]1CCc2c[nH]nc2C1	491161919	PZHHIMCGBPQNPN-SVSAJMPUSA-N	308.341	1.696	50	20	DDGD	
Cc1sc(C(=O)O)cc1S(=O)(=O)NNC(=O)CC(C)C	729661923	AEOLBQJVLCSRJB-UHFFFAOYSA-N	320.392	1.110	50	20	DDGD	
O=C(NC[C@@H]1C[C@H]1C1CCC1)NNC(=O)c1ccccc1O	824724625	GFQPHFCYGBMAEQ-AAEUAGOBSA-N	303.362	1.772	50	20	DDGD	
C#CCC[C@H](O)CNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	490871674	AKSRIZOUMXYUTM-VFXTVZEFSA-N	310.357	1.003	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCCOC(C)=O)cc1	490972813	KUSSYOOTZBUVFY-UVTDQMKNSA-N	302.330	1.672	50	20	DDGD	
Cc1nn(Cc2ccccc2)c(C)c1C(=O)NN(C)[C@@H](C)CO	823983111	LEDDGXMFQBUICE-LBPRGKRZSA-N	316.405	1.506	50	20	DDGD	
CCN(C[C@H](O)C(F)(F)F)C(=O)/C(C#N)=C/c1cnn(C)c1	491103702	LOYBXVUEUPJOAT-INJWIWPUSA-N	316.283	1.099	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)C1CC1	823280894	HTYFDAJRLNLHEZ-UHFFFAOYSA-N	312.255	1.739	50	20	DDGD	
CCCO[C@@H](C(=O)NN(C)[C@@H](C)CO)c1ccc(F)cc1C	823384704	RSBRVKFRXYLOCR-SWLSCSKDSA-N	312.385	1.946	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)/C=C\c2ccc(O)cc2)c1	492616745	VNBAFYKAWOCIER-TWGQIWQCSA-N	307.309	1.738	50	20	DDGD	
CSC(C)(C)C(=O)NNC(=O)Cc1cn2ccccc2n1	829504208	MZFGDNKQIRVKIF-UHFFFAOYSA-N	306.391	1.166	50	20	DDGD	
COc1cccc([C@H](O)C(=O)NN(C)C(=O)OC(C)(C)C)c1	496759165	NLRLSXXDKVPUBN-LBPRGKRZSA-N	310.350	1.627	50	20	DDGD	
CN1C[C@@H](N(C)C(=O)/C(C#N)=C\c2ccc(F)cc2)CCC1=O	491008099	HJJDVGOFVUJODT-CTXBLAANSA-N	315.348	1.812	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-]	823917176	DMSDMPHRHYOTJU-ZETCQYMHSA-N	321.255	1.571	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CCc2cscn2)c1O	725890223	QIAQDPHAVXSQHX-UHFFFAOYSA-N	321.358	1.251	50	20	DDGD	
O=C(NNc1cccc(Br)n1)N[C@@H]1CCOC1	824794023	KMVLIRXXYICMHO-SSDOTTSWSA-N	301.144	1.259	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1cnn(C2CC2)c1	822735867	IPEGAVJGCXAFFL-UHFFFAOYSA-N	318.308	1.901	50	20	DDGD	
CCc1occc1C(=O)NNC(=O)CNC(=O)OC(C)(C)C	495857843	TZAHCSFYXFVAAS-UHFFFAOYSA-N	311.338	1.128	50	20	DDGD	
CCCC[C@H]1CCCC1=NNC(=O)N[C@H]1CCS(=O)(=O)C1	727256357	YOOLOAVSHWTWKZ-RYUDHWBXSA-N	315.439	1.819	50	20	DDGD	
CCC[C@@H](CCc1ccccc1)NCc1ccc(B(O)O)o1	585025016	JTGJOBGJWSRHLI-HNNXBMFYSA-N	301.195	1.851	50	20	DDGD	
CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1ccccc1Cl	728437027	WIRPGGRJPDZTIY-VIFPVBQESA-N	317.798	1.118	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NN(C)[C@@H](C)CO)c1C	823976922	LGFGOLPRCHBCIN-LWLPBDFMSA-N	318.421	1.766	50	20	DDGD	
Cn1c(Cl)cnc1CNC(=O)[C@]1(C)C[C@@H]1Br	906510299	DQXADZHGUQLDSO-QUBYGPBYSA-N	306.591	1.863	50	20	DDGD	
CO[C@H]1CCC[C@@H](c2nc(-c3cccc(B(O)O)c3)no2)C1	585052614	RWLHTYSVUANOSE-YPMHNXCESA-N	302.139	1.089	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)CCOCC(F)F	822732451	YUZSASWKVMYLEY-UHFFFAOYSA-N	320.267	1.727	50	20	DDGD	
COc1ccnc(NNC(=O)CCC[C@H](O)c2ccccc2)n1	821482424	ZOOHRKWFTXUQOM-ZDUSSCGKSA-N	316.361	1.832	50	20	DDGD	
C[C@@H](CNCc1ccc(B(O)O)cc1F)Oc1ccccc1F	585026134	CIEKNCWFUPYHFN-NSHDSACASA-N	321.132	1.202	50	20	DDGD	
CC(C)S(=O)(=O)CCNC(=O)[C@]1(C)C[C@H]1Br	822026504	JVIFOICPTHTXTC-PSASIEDQSA-N	312.229	1.099	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1cnn2ccccc12	731864882	CVEZKAYKHSRALH-UHFFFAOYSA-N	312.304	1.477	50	20	DDGD	
N#C/C(=C/c1cnn(CC(F)F)c1)C(=O)NCc1ccco1	491010194	LLSSYLZQDJTINJ-WCIBSUBMSA-N	306.272	1.965	50	20	DDGD	
COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1S(=O)(=O)CCl	831322285	SZXBMEHPUVBFHA-RYUDHWBXSA-N	317.794	1.891	50	20	DDGD	
CCCc1cnc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)s1	831616710	KTMDJRYZPCDLQM-PSASIEDQSA-N	312.395	1.673	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(C)c(C)c1	730576331	PLGQNUAWDRKNPV-CQSZACIVSA-N	308.403	1.578	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H]1CC(c2cc(C)ccc2C)=NO1	909994580	XOTLMTZZCHWYEQ-ZDUSSCGKSA-N	320.418	1.264	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2C[C@@H]2C(N)=O)ccc1Br	901165430	UXPJGLJPNJVSQN-DTWKUNHWSA-N	312.167	1.322	50	20	DDGD	
C[C@H](OCCCNCc1cccc(B(O)O)c1)c1ccccc1	585014804	FCMJYHYUOZPPQE-HNNXBMFYSA-N	313.206	1.624	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)Cc1coc2c(F)c(F)ccc12	907624733	DBKMKXNGUMHGQU-UHFFFAOYSA-N	312.272	1.172	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NC(CF)CF)cc1	836530362	UPDDOZQCWDYTEF-UHFFFAOYSA-N	315.320	1.266	50	20	DDGD	
CCCCC[C@@H](O)C(=O)NNC(=O)Cc1ccccc1OC	832884752	YTTCBBFSCFMWQR-CYBMUJFWSA-N	308.378	1.326	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H]2C[C@H]2C(=O)O)c1	738573801	KYBPDJRBOLOTIL-NXEZZACHSA-N	307.375	1.342	50	20	DDGD	
CN(NC(=O)c1cccc(OCC(=O)OC(C)(C)C)c1)C(N)=O	831519659	OYYUHZAPCKJVDG-UHFFFAOYSA-N	323.349	1.062	50	20	DDGD	
CCCN1CCC[C@H](C(=O)NNC(=S)Nc2ccccn2)C1	913826610	XOPGAUXBQNHRFG-LBPRGKRZSA-N	321.450	1.521	50	20	DDGD	
CCCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)CC(F)(F)F	730280350	QXUFOWPNXPHZSB-VIFPVBQESA-N	323.315	1.267	50	20	DDGD	
COCCCCNC(=O)NNc1cccc(C(=O)OC)c1F	837548145	XIPQLLFOEUKBCX-UHFFFAOYSA-N	313.329	1.665	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)CN2CCCC2=O)cc1F	917576444	ZTVDLWJGVXBGLM-UHFFFAOYSA-N	307.325	1.297	50	20	DDGD	
CO[C@@H](C(=O)NNc1cccc(Br)n1)C1CC1	837213525	YQBMQGMFGTYBTF-SNVBAGLBSA-N	300.156	1.712	50	20	DDGD	
Cc1cccc(C(=O)NN(C)C[C@@H](C)O)c1Br	910159700	BFEVRROWGFQDKZ-SECBINFHSA-N	301.184	1.715	50	20	DDGD	
O=C(COc1cc(F)cc(F)c1)NNC(=O)[C@H]1CCCCO1	833236246	QBSMAZFCDCXQNZ-GFCCVEGCSA-N	314.288	1.060	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@]1(C)CCc2ccccc21	830271612	USDFFLLFULKFJI-PIGZYNQJSA-N	318.373	1.380	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H](C)c2ccnc(O)c2)n1	838617731	ALPCHBPBDFFYPS-SECBINFHSA-N	318.337	1.282	50	20	DDGD	
O=C(NN=C1CN2CCC1CC2)c1cc(Br)c[nH]1	915049082	NTIZJAWGMATTPY-UHFFFAOYSA-N	311.183	1.589	50	20	DDGD	
N#CCOc1cccc(C=NNC(=O)NCC(F)(F)F)c1	917551605	RUSIGFLXMQVGDS-UHFFFAOYSA-N	300.240	1.784	50	20	DDGD	
O=C(NC[C@H]1CCCCO1)NNC(=O)c1cc2ccccc2o1	749559843	OLNDRILWIRHUDE-GFCCVEGCSA-N	317.345	1.946	50	20	DDGD	
COc1ccc(C=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)cc1	916345345	TVOWIUCIBFLISN-UHFFFAOYSA-N	314.301	1.950	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)NNC(=O)CC(F)(F)F	918365627	ADWVHIAZZCQFNK-MRVPVSSYSA-N	323.315	1.123	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)[C@H](C)[C@@H](C)S(C)(=O)=O	841422936	SIJPMUYUVZISRU-NXEZZACHSA-N	302.371	1.646	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2ncccc2C(F)(F)F)CCC1	740094862	AVZZDDPEDFCQKU-UHFFFAOYSA-N	316.283	1.460	50	20	DDGD	
COc1ccc(C(=O)NNc2ccnc(N(C)C)n2)c(C)c1	743485200	XONRIAIHCYVRBX-UHFFFAOYSA-N	301.350	1.617	50	20	DDGD	
C[C@@]1(CNC(=O)c2cccc(C#CCO)c2)C[C@H]1Br	912826951	DZOXIXFTOHAGGT-HIFRSBDPSA-N	322.202	1.934	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccncc2)on1)NC1CCCC1	744053334	WSLDHAJZHQQSHP-UHFFFAOYSA-N	315.333	1.623	50	20	DDGD	
CC(C)c1cccc2c1NC(=O)C2=NNC(=O)N1CCOCC1	841622076	ROHSNACHKTYKMM-UHFFFAOYSA-N	316.361	1.508	50	20	DDGD	
C=C[C@H](C)ONC(=O)NNC(=O)COc1cc(C)ccc1C	845638274	FRIWENNTRVPMDR-LBPRGKRZSA-N	307.350	1.519	50	20	DDGD	
O=C(COc1ccc(Cl)cc1)NNC(=O)CC(F)(F)F	915262422	URIYAMDBDSRUBP-UHFFFAOYSA-N	310.659	1.819	50	20	DDGD	
C=C(C)CONC(=O)NNC(=O)c1ccc(OCC)c(OC)c1	845589494	GLXWFRLNCZCGIQ-UHFFFAOYSA-N	323.349	1.546	50	20	DDGD	
O=C(CSCc1cccc(F)c1F)NNC(=O)C1CC1	918860709	CVTWERHKFVZBLE-UHFFFAOYSA-N	300.330	1.755	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)COc2cccc(C#N)c2)cc1	916097406	VZQPWYADMIGFFX-UHFFFAOYSA-N	323.352	1.961	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1cncc(Br)c1	842562688	RMFLHOKYZXNCPR-KCJUWKMLSA-N	312.167	1.719	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)Cn1nc(C)n(C)c1=O	848108521	NNSHOMOGJYUTDC-UHFFFAOYSA-N	317.393	1.465	50	20	DDGD	
Cc1cc(C)c(C#N)c(SCC(=O)NNC(=O)C(C)C)n1	916560887	USCCEKRKRDRDIJ-UHFFFAOYSA-N	306.391	1.466	50	20	DDGD	
O=C(Cc1ccncc1)NN=C1CCN(c2ccccn2)CC1	747646163	PCXHLDYTDCAZQZ-UHFFFAOYSA-N	309.373	1.792	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCC1(N(C)C)Cc2ccccc2C1	741649507	UUPJOUYJXLREHX-VBKFSLOCSA-N	313.401	1.646	50	20	DDGD	
CSSCCNC(=O)NCC(C)(C)C1(O)CCOCC1	841586055	OVILKVNPNBMBNT-UHFFFAOYSA-N	322.496	1.865	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)NCC(C)(C)N)c1C	841951181	STCOEUXWJLKTTC-GFCCVEGCSA-N	322.409	1.138	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)C(=O)c1ccc(Cl)s1	843657796	QELGACIDDYJDRK-RNFRBKRXSA-N	316.766	1.157	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H]1CCc2ncncc2C1	843869296	MXWRXBBDZSWWEI-NSHDSACASA-N	312.377	1.638	50	20	DDGD	
CCc1c(C(=O)NN(C)C[C@H](C)O)cnn1-c1ccc(C)cc1	910173614	NYGJUJVGUZCKMV-ZDUSSCGKSA-N	316.405	1.701	50	20	DDGD	
COc1ccc(CC(=O)NCc2ccc(C(=O)NN)cc2)cc1	918550851	MYCBIUZVEDJSOY-UHFFFAOYSA-N	313.357	1.158	50	20	DDGD	
Cc1cc(/C=C(/C#N)C(=O)NCC(=O)O)c(C)n1CC(C)C	740082074	VMTPNLFEKJLISA-NSIKDUERSA-N	303.362	1.869	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)Cc1cccnc1)[C@@H]1CC1(C)C	841578792	XBXYKTPRZOEJTI-QWHCGFSZSA-N	304.394	1.779	50	20	DDGD	
Cc1cc(NNC(=O)NCc2nc(N(C)C)no2)ccc1Cl	922387960	YJYHNROFIDALFA-UHFFFAOYSA-N	324.772	1.924	50	20	DDGD	
CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NNC(=O)c1ncccn1	841350894	UUPYYEOAAWTNBU-AGIUHOORSA-N	320.393	1.612	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H](O)CCc2ccccc2)n1	841471525	QABBBHZEFFAUSY-GFCCVEGCSA-N	320.780	1.875	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)OCCC2(O)CCC2)cc(C#N)n1C	840195809	DPOMPRWHOVLAJN-RIYZIHGNSA-N	313.357	1.960	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N(C)Cc2cscn2)c1	858705573	IHUWUJPLLGBQGY-UHFFFAOYSA-N	310.404	1.999	50	20	DDGD	
CC(=O)N[C@H](CC1CCC1)C(=O)NNc1ncc(Cl)cn1	857729237	OPPUUAXBHAKWBD-LLVKDONJSA-N	311.773	1.268	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NC[C@@]1(C)C[C@@H]1Br	857388518	TVHHGBRGDDVSAN-VDDIYKPWSA-N	306.200	1.865	50	20	DDGD	
COC[C@](C)(O)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	754973397	GRXOQQOAYJMYOI-JPVQUXCTSA-N	324.421	1.138	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CC[C@@H]2CCOC2)cc1OC	751211155	NLRYUUXMGNCSNI-LLVKDONJSA-N	322.361	1.282	50	20	DDGD	
O=C(NNc1ccc(F)cn1)N[C@H]1CCN(CC(F)(F)F)C1	753915981	POFFYXJZTVREFQ-VIFPVBQESA-N	321.278	1.483	50	20	DDGD	
CO[C@H](C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)C1CCCC1	853391409	LOBUULDOTBGHDV-KFWWJZLASA-N	309.410	1.157	50	20	DDGD	
O=C(NCc1cccc2c1OCC2)NNC(=O)[C@@H]1CCCCO1	927542441	JFNLCCSEMZBRIC-ZDUSSCGKSA-N	319.361	1.021	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)NCc1nc(N(C)C)no1	922387270	SOSQXHCQBSLJOF-UHFFFAOYSA-N	324.772	1.924	50	20	DDGD	
CC(C)c1ncncc1C(=O)NNC(=S)N[C@H](C)C1CC1	855101786	CBSHHWVWNBLTMT-SECBINFHSA-N	307.423	1.507	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CO)cc1NC(=O)OC(C)(C)C	753444247	HMTDBIGEYVXWOS-UHFFFAOYSA-N	323.349	1.095	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1cccc2cccnc12	755450416	DPLBZKZTONPYEB-UHFFFAOYSA-N	310.317	1.733	50	20	DDGD	
CCn1nccc1C=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1	753694381	DWLZFVBYCMTISU-MCIONIFRSA-N	321.425	1.098	50	20	DDGD	
CSCC1(CCNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CC1	852394105	MJPIQVYYBPRLLV-WDEREUQCSA-N	315.439	1.275	50	20	DDGD	
NC[C@@H]1OCC[C@@H]1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	852813884	IJNBRESMRSYOEC-KWQFWETISA-N	314.729	1.055	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](C)c2cnn(C)c2)c1C	855625227	BKZWLXLFPWBZLX-JTQLQIEISA-N	316.361	1.762	50	20	DDGD	
COc1cc(C(=O)NN=Cc2cc[nH]n2)ccc1OC(C)C	755566218	OEMWFDQURVTSST-UHFFFAOYSA-N	302.334	1.969	50	20	DDGD	
CC1(C)OCC(NC(=O)NNc2cc(F)c(F)c(F)c2)CO1	758727818	LPABWPYTOSRJOS-UHFFFAOYSA-N	319.283	1.882	50	20	DDGD	
CCNc1nc(C(=O)NNC(=O)NC2CCCCC2)cs1	854192814	WMSDCAOOQIIWMZ-UHFFFAOYSA-N	311.411	1.852	50	20	DDGD	
CC(C)CCO[C@@H](C)C(=O)NNC(=O)c1cccc(Cl)n1	857326411	WVNHPJQNOYHDRF-JTQLQIEISA-N	313.785	1.947	50	20	DDGD	
O=C(NN=Cc1ccc(O[C@H]2CCOC2)cc1)[C@H]1CCCCO1	853352996	NGDDQQBUEALYBW-JKSUJKDBSA-N	318.373	1.874	50	20	DDGD	
O=C(COC[C@@H]1CCCO1)NNc1ccc([N+](=O)[O-])cc1F	855620991	IVUVPDKZQJIMDL-JTQLQIEISA-N	313.285	1.373	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C1[C@H]2CCCCCC[C@H]12	850304713	OULWIQHVHDFPQW-SRVKXCTJSA-N	310.394	1.692	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C=NNC(=O)c2cnn(C)c2)c1C	863094587	WYKGWOUWYJJSFF-UHFFFAOYSA-N	317.349	1.306	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCc1nc(C(C)(C)C)n[nH]1	867387684	DKTAJIJILUWFFK-UHFFFAOYSA-N	322.862	1.787	50	20	DDGD	
CCNC(=O)N(C)N=Cc1ccc(N(CC)CCO)cc1C	769593836	RCIJYTXHQZLFLY-UHFFFAOYSA-N	306.410	1.809	50	20	DDGD	
CN1CCC[C@@H]1C(=O)NNc1nc2ccccc2[nH]c1=S	862294120	YUTXQGAGNDNUKQ-LLVKDONJSA-N	303.391	1.830	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)Cc2ccccc2OC)c(C)n1	861765166	MUWJNTDNWUAEAQ-UHFFFAOYSA-N	316.361	1.224	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NC[C@@H]1CC(=O)N(C2CC2)C1	867071777	LNVYWOIBGBWQCR-JTQLQIEISA-N	322.858	1.182	50	20	DDGD	
COc1ccc(C=NNC(=O)C(F)F)c(Br)c1O	761014359	XDECEFWSKTVCCB-UHFFFAOYSA-N	323.093	1.879	50	20	DDGD	
Cn1cc(CCC(=O)NNCC(F)(F)C(F)(F)F)cn1	863094108	DHZCQXPTEGMFEC-UHFFFAOYSA-N	300.231	1.171	50	20	DDGD	
O=C(CS(=O)(=O)C1CCCC1)NNc1nc2ccccc2[nH]1	768503845	KDWBGSJTOMGCEL-UHFFFAOYSA-N	322.390	1.363	50	20	DDGD	
CC(C)C(=O)NN=Cc1c(Cl)nc(N)nc1N1CCCC1	863966494	BVFBEMQSSURILU-UHFFFAOYSA-N	310.789	1.419	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCCOc1ncccc1F	866994375	KRGPDDAPUQQPOF-UHFFFAOYSA-N	324.805	1.784	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)[C@@H]1[C@H]2Cc3ccccc3[C@H]21	863881736	UXKCIAACRGIAET-QJPTWQEYSA-N	306.329	1.382	50	20	DDGD	
CC(C)[C@H](NC=O)C(=O)NNc1nc(C(F)(F)F)cs1	863895323	LPICJWZGXDTVGH-ZETCQYMHSA-N	310.301	1.376	50	20	DDGD	
CC1=C(C(=O)NN[C@H](C)C(F)(F)F)[C@H](C)n2ncnc2N1C	862318226	NKLUXFXXXWLUTF-JGVFFNPUSA-N	318.303	1.135	50	20	DDGD	
O=C(NNc1cnccn1)C(=O)Nc1cccc2ccsc12	766256409	ITXWKPRSJZVNCJ-UHFFFAOYSA-N	313.342	1.773	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(Cl)c2[N+](=O)[O-])n[nH]1	768279163	VPFLPIDUIXRAHZ-UHFFFAOYSA-N	323.696	1.355	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C1CC[C@H](Cc2ccccc2)C1	863186164	QBHJJUYVMGKQIA-CYBMUJFWSA-N	308.403	1.546	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCc1ccc(CO)cc1	867445934	DZSCLHYUHVGGEC-UHFFFAOYSA-N	305.827	1.863	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)COc2ccccc2F)c1C	864465084	PCZPVKWAQRTIDI-UHFFFAOYSA-N	320.324	1.191	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NNC(=O)c1ccc(Cl)cc1	862993579	PAZDZIXPQXGDQB-GFCCVEGCSA-N	309.797	1.974	50	20	DDGD	
C[C@]1(CNC(=O)NNc2ncnc3ccsc23)CCCO1	765828982	WZJPAQIYTUHMMM-CYBMUJFWSA-N	307.379	1.887	50	20	DDGD	
O=C(NNc1ccc(F)c(Cl)c1)[C@H]1CC(=O)N(C2CC2)C1	863078383	CJEIHJLCIPVXSF-QMMMGPOBSA-N	311.744	1.933	50	20	DDGD	
Cc1ccncc1NC(=O)C(=O)NNC(=O)c1ccccc1C	763956349	LWUYRSNVVXCHPY-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
Cc1nnc(-c2ccc(C(=O)NNc3ncc(F)cn3)cc2)o1	760911601	NJBKKQPFTRWBSH-UHFFFAOYSA-N	314.280	1.731	50	20	DDGD	
C[C@H](NNC(=O)[C@H]1C[C@H](c2ccccc2)OC1=O)C(F)(F)F	862319436	FBIKVAFGBMJPFH-JMJZKYOTSA-N	316.279	1.862	50	20	DDGD	
C[C@@H](c1ccccc1F)[C@H](O)C(=O)NNC(=O)OC(C)(C)C	864428878	JZMLGHVPNWUVPY-CABZTGNLSA-N	312.341	1.846	50	20	DDGD	
C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)Cc1cc[nH]n1	760279157	JGKSTSUJXJFPNR-VIFPVBQESA-N	322.752	1.221	50	20	DDGD	
NC(=O)Nc1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cc1	768248299	IFLPDBOTCKNGHX-UHFFFAOYSA-N	315.289	1.842	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@H]1NC(=O)[C@@H](Br)C(C)(C)C	768367589	GMDPUVDXWBIQRE-OPRDCNLKSA-N	319.243	1.827	50	20	DDGD	
COc1cc(C#N)ccc1NC(=O)NNC(=O)c1ccc(C)o1	766246695	ALDZLJSHSQLAEZ-UHFFFAOYSA-N	314.301	1.935	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(N2CCCC2)c1	873803256	ZOLNTMNCTWWQOP-UHFFFAOYSA-N	318.377	1.091	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)c2cn(C)cn2)c(OC)c1	872349066	DOAPWXRCUUJWKU-UHFFFAOYSA-N	302.334	1.591	50	20	DDGD	
CCc1cc(C(=O)NNc2cccc([N+](=O)[O-])c2C)nn1C	1116525037	DGFMRRWJLOANDG-UHFFFAOYSA-N	303.322	1.956	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	1117774122	IXWXHTIOHSXGBP-ZETCQYMHSA-N	315.713	1.891	50	20	DDGD	
O=S(=O)(CCl)NC1CCN(c2cccc(F)c2)CC1	1117758675	SNLQHDUJGXVGSW-UHFFFAOYSA-N	306.790	1.910	50	20	DDGD	
CCOc1nc(C(=O)NNC(=O)CCc2ccccc2)co1	772665028	UQJOKMLJPJIOSK-UHFFFAOYSA-N	303.318	1.467	50	20	DDGD	
CC(C)(N)c1nocc1C(=O)NC[C@@]1(C)C[C@@H]1Br	1118754410	KJOUIXOVTVIMNS-QPUJVOFHSA-N	316.199	1.772	50	20	DDGD	
COc1ccc(NNC(=O)CNC(=O)c2cccc(O)c2)cc1	779377975	UFSRQALCYPWRCU-UHFFFAOYSA-N	315.329	1.274	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](CC)CCc1ccccc1	875808143	XKYVPKPHQOOUFY-AWEZNQCLSA-N	307.394	1.765	50	20	DDGD	
C[C@H]1C[C@H]1CNC(=O)NNC(=O)c1nc2ccccc2s1	872826464	YAIQJOBSQAGTKF-IUCAKERBSA-N	304.375	1.896	50	20	DDGD	
COCCOCC(=O)NN=Cc1c(C)n(C)c2ccccc12	872400515	SXXKNKCMRVDMJU-UHFFFAOYSA-N	303.362	1.600	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C2(Br)CC2)cc1	873798235	FLTSUECSYMXUIE-UHFFFAOYSA-N	311.179	1.938	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C1CCC=CCC1	873430564	RQRCBCDSUVGRBK-GFCCVEGCSA-N	310.394	1.858	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1cccc(Br)c1	875176037	LYENCZVSUZGUJS-UHFFFAOYSA-N	316.155	1.862	50	20	DDGD	
O=C(NNc1ccccc1)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1	779819838	PNDCDPVAUNJORI-KBPBESRZSA-N	312.329	1.101	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNC(=O)CC(F)(F)F)cs1	873803268	ABHRVAAXNYCAEM-UHFFFAOYSA-N	309.269	1.095	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2ccc(-c3cnn(C)c3)cc2)cn1	1116873629	DDUURLAORXIXPP-UHFFFAOYSA-N	308.345	1.585	50	20	DDGD	
CC[C@@H](CO)C(=O)NNC(=O)c1ccc(Cl)cc1OC	779732954	PYQUWPZEWVRIGN-QMMMGPOBSA-N	300.742	1.128	50	20	DDGD	
CC1=NO[C@@H](CNC(=O)NNC(=O)CCCc2ccccc2)C1	875978042	WJLCGIICNYZZGJ-CQSZACIVSA-N	318.377	1.505	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc2cnccc12	772164424	GNIYYURZWSYQHD-SNVBAGLBSA-N	315.329	1.338	50	20	DDGD	
C[C@@H]1COCC1=NNC(=O)c1cc(Br)ccc1O	884433005	XYPQBVNHWLVJCB-SSDOTTSWSA-N	313.151	1.907	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@H](NC(=O)NNc2ccc(C#N)cn2)C1(C)C	888756546	OJNPGSWWVPEDGC-TVYUQYBPSA-N	303.366	1.639	50	20	DDGD	
C[C@@]1(CNC(=O)NC2CC3(CC(N)C3)C2)C[C@@H]1Br	1120665068	OCRJKWGGCBMGKN-SYYSXUQUSA-N	316.243	1.729	50	20	DDGD	
CN1CCN(c2ccc(/C=C(\C#N)C(=O)N3CCCC3)cc2)CC1	771519830	BYBMOYPUJXKWCH-SAPNQHFASA-N	324.428	1.968	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1ccnn1-c1ccccc1	775528319	DCAVPHWVZSNNBT-UHFFFAOYSA-N	321.340	1.954	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@@]2(C1)OCc1ccccc12	770676972	SKMHCHGJEOABCN-SJCJKPOMSA-N	317.389	1.064	50	20	DDGD	
C[C@@H]1CCCC[C@H]1NCC(=O)NNC(=O)c1ccc(C#N)cc1	771790482	BPFRQBURYALDSV-IUODEOHRSA-N	314.389	1.488	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C1(F)CCCC1	771856989	FDKLGQVEXQLANS-UHFFFAOYSA-N	324.352	1.894	50	20	DDGD	
CSc1cc(CNC(=O)NNC(=O)c2ccc[nH]2)ccn1	772599228	AKFFBBNVGZZOBO-UHFFFAOYSA-N	305.363	1.276	50	20	DDGD	
Cc1cc([C@@H](C)NC(=O)NNC(=O)C2CCOCC2)ccc1F	883501048	ZHFSQAAUHJALLI-LLVKDONJSA-N	323.368	1.952	50	20	DDGD	
C#CCCCC(=O)NNC(=O)/C=C/c1ccc(C(=O)OC)o1	887153270	NVJLTICONCAESQ-CSKARUKUSA-N	304.302	1.030	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1	780330827	FMUHSKAFMGTTSN-UHFFFAOYSA-N	303.278	1.464	50	20	DDGD	
CC1(C)C[C@@]1(C(=O)NNC(=O)C1CCOCC1)c1ccccc1	883072376	JRMNXGGGGJYUOE-SFHVURJKSA-N	316.401	1.928	50	20	DDGD	
COc1cc(Cl)cc(C(=O)NNC(=O)C2CCOCC2)c1	883070883	HDEMZKZMCWYHEQ-UHFFFAOYSA-N	312.753	1.536	50	20	DDGD	
CCOc1cc(NC(=O)C(=O)NNc2cccnn2)ccc1C	784862541	LKVDWQFVPNHZGW-UHFFFAOYSA-N	315.333	1.266	50	20	DDGD	
CCc1nc(NC(=O)C(=O)NNC(=O)CC(C)C)sc1C	789740290	FFWAMYNYWBBYDM-UHFFFAOYSA-N	312.395	1.146	50	20	DDGD	
CCC1(C=NNC(=O)CNC(=O)c2cccs2)CCOCC1	781122180	LFECHRDOPHZAKP-UHFFFAOYSA-N	323.418	1.787	50	20	DDGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)c1n[nH]cc1[N+](=O)[O-]	788602666	RPIJGDHIUFGJKD-UHFFFAOYSA-N	310.201	1.122	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1	790342533	WMFZKMBVLITBEN-UHFFFAOYSA-N	300.233	1.174	50	20	DDGD	
Cc1nn[nH]c1C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	790000713	KDVVKVKHSBCZDT-UHFFFAOYSA-N	310.239	1.761	50	20	DDGD	
COCc1cc(C=NNC(=O)COc2ccc(OC)cc2)no1	794868446	KIGGROJWIAMGLO-UHFFFAOYSA-N	319.317	1.359	50	20	DDGD	
COc1ccc2c(c1)CC(=NNC(=O)N1CCN(C)CC1)CC2	790173693	MGQYBYZFYQXJRM-UHFFFAOYSA-N	316.405	1.497	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)NOCC(F)F	792917431	GTUUVADWMUNBAW-UHFFFAOYSA-N	312.276	1.168	50	20	DDGD	
CCOc1cccc(S(=O)(=O)NNC(=O)c2ccc(C)o2)c1	799922795	RBHWMQLBNIAAOL-UHFFFAOYSA-N	324.358	1.610	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NC[C@@H]1CCSC1	790532250	YXMIRYZOOXLVAV-ZDUSSCGKSA-N	307.419	1.703	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccc(C#N)o2)cc1C	794217554	IFOJTLGVOZPXDB-UHFFFAOYSA-N	313.313	1.608	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C(C)(C)O)c1ccc(C(F)(F)F)cc1	798997316	FEBYOYAZYLKLTN-QMMMGPOBSA-N	318.295	1.727	50	20	DDGD	
CCCc1ccc(Cl)c(S(=O)(=O)NNC(=O)NCC)c1	790053659	HOCFGIQJZRIIFY-UHFFFAOYSA-N	319.814	1.805	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](c2ccccn2)C1	799193593	LYCCHTRRSIZTDG-ZIAGYGMSSA-N	318.421	1.453	50	20	DDGD	
Cn1cc(C(=O)C(=O)NNc2nc(C(F)(F)F)cs2)cn1	1319126958	MQNVOEKKUMOLJH-UHFFFAOYSA-N	319.268	1.221	50	20	DDGD	
COc1ccnc(NNC(=O)c2c(C)noc2C(F)(F)F)n1	1318901184	BMMHLHMUSILEEV-UHFFFAOYSA-N	317.227	1.557	50	20	DDGD	
C=C[C@@H](COC)NC(=O)NNC(=O)c1cccc2ccccc12	1324022287	QJYCQGKIJYHILR-ZDUSSCGKSA-N	313.357	1.985	50	20	DDGD	
O=C(CCSc1ccccc1)NNC(=O)[C@@H]1CCCCO1	1328066991	XRAXRQHFOQERPR-ZDUSSCGKSA-N	308.403	1.885	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)c1cc([N+](=O)[O-])n[nH]1	1257391952	WQIXUZHGHGFXDU-UHFFFAOYSA-N	309.669	1.046	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2n[nH]c3c2CCCC3)CN1C1CC1	1323684442	NIFYJGLTMORWMD-JTQLQIEISA-N	301.394	1.631	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccncc1	1332087693	GYLPLGXPGLUNKB-WXHSDQCUSA-N	306.366	1.288	50	20	DDGD	
C[C@@]1(Cn2nnnc2N2CCC(F)(F)C2)C[C@H]1Br	1334659221	VIWNCNKRSVHMIU-APPZFPTMSA-N	322.157	1.692	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cn(C)cc1C(F)(F)F	1333527115	CHQOQGRMCJIPMO-UHFFFAOYSA-N	301.268	1.608	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NC[C@@H]2C[C@H]3C=C[C@H]2C3)c1	1334365171	OCAZZTBBPSWPHW-WHOFXGATSA-N	310.357	1.714	50	20	DDGD	
Cc1ccc(O)c2c1[C@H](C)CC2=NNC(=O)CN1CCCC1=O	1337122171	LBWXIWSSNRYIRY-LLVKDONJSA-N	315.373	1.651	50	20	DDGD	
C[C@]1(Cn2nnnc2N2CC[C@@H]3C[C@@H]3C2)C[C@@H]1Br	1334616676	POSIRVVCEKMHEM-MWGHHZFTSA-N	312.215	1.693	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cnn(C2CCCCC2)c1	1333575189	OUKRSRKCIDLYSC-UHFFFAOYSA-N	302.378	1.953	50	20	DDGD	
CCc1cccc(CC)c1NC(=O)NNC(=O)C1CCNCC1	1331402328	HZMXQLHUGZQXRM-UHFFFAOYSA-N	318.421	1.964	50	20	DDGD	
Cc1cccc(NNC(=O)c2cn(C3CCOCC3)nn2)n1	1331882126	UAOSTSKWHWURFC-UHFFFAOYSA-N	302.338	1.090	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@@H](CC(F)(F)F)C1)c1cn[nH]c1	1334930442	LKJOFLQWOXDZEI-QMMMGPOBSA-N	319.287	1.429	50	20	DDGD	
C[C@H]1CN2CCN1C[C@@H]2C(=O)NNc1cccc2c1CCCC2	1348139473	FOQWXBDRYXYFGX-SUMWQHHRSA-N	314.433	1.397	50	20	DDGD	
C[C@H]1CN2CCN1C[C@@H]2C(=O)NNc1cc(Cl)ccc1F	1350145113	XEFXQVZHKJHWAN-TVQRCGJNSA-N	312.776	1.311	50	20	DDGD	
CCN1CC[C@H]1CNC(=O)NNc1ccc(C(=O)O)c(F)c1	1605473972	CLPIDEXAOKKTCT-JTQLQIEISA-N	310.329	1.244	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cnc3n2CCOC3)cc1F	1608905018	UPEJCTXGEDVPSX-UHFFFAOYSA-N	320.280	1.008	50	20	DDGD	
C[C@H](CBr)COC(=O)[C@H]1CC[C@@H](CCC(=O)O)O1	1604061179	RMGMZYRETIPZNY-KXUCPTDWSA-N	323.183	1.973	50	20	DDGD	
COc1cc(NC(=O)NNc2ncncc2F)ccc1C(=O)O	1607178691	XWIMGRUYGDIXJO-UHFFFAOYSA-N	321.268	1.471	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC2(C(=O)O)CCCCC2)o1	1607733200	DDEQHPAXUMUENS-UHFFFAOYSA-N	323.349	1.567	50	20	DDGD	
O=C(NNC(=O)C(=O)O)N[C@H](c1ccc(F)cc1)C1CCC1	1608476898	BGALESSRRBROBO-NSHDSACASA-N	309.297	1.082	50	20	DDGD	
CN(NC(=O)c1ccc(-c2nn[nH]n2)s1)c1ccccn1	1604826954	PTWPSTLILMGXNT-UHFFFAOYSA-N	301.335	1.104	50	20	DDGD	
CC(=NNC(=O)N(C)C)c1ccc(-c2nn[nH]n2)cc1Cl	1602906794	WPTFQBFSERVZBJ-UHFFFAOYSA-N	307.745	1.515	50	20	DDGD	
C=CCCn1cc(C(=O)NNc2ccc(C)c(C(=O)O)c2)nn1	1602884541	HURVHNQOQQYUGK-UHFFFAOYSA-N	315.333	1.618	50	20	DDGD	
CC(=O)OCC(C)(C)CC(=O)NNc1ccc(CC(=O)O)cc1	1603087438	AYYOOGYWIVSHDN-UHFFFAOYSA-N	322.361	1.736	50	20	DDGD	
C#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Cl)C2	1804183227	NDLSEAAMYBKJHE-LSCVPOLPSA-N	300.761	1.572	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CC[C@H]3C[C@@H](C)CN3C2)c(C)o1	1548616213	ZEVKZHKTXIHOLN-HONMWMINSA-N	319.405	1.778	50	20	DDGD	
COc1c(Cl)cc(Cl)cc1C=NNC(=O)NCC(=O)O	1610278977	ODZAOSISTXESCG-UHFFFAOYSA-N	320.132	1.720	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@@H]2C=NNC(=O)[C@H]2CCOC2)cn1	1552454596	SBDHBQHEJFYRSP-MBNYWOFBSA-N	306.366	1.026	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1nc2ccc(-c3nn[nH]n3)cc2[nH]1	1578340904	GZLUAUCWHSNZLK-CLFYSBASSA-N	324.304	1.125	50	20	DDGD	
CC(C)(N)CNC(=O)NNc1cc(F)ccc1Br	1575357640	DBWQITXRHZHTPP-UHFFFAOYSA-N	319.178	1.952	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC([C@@H]2OCCC[C@@H]2N)CC1	1578100448	UVGICXPVXGEBLT-CYAURGIBSA-N	307.394	1.175	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](F)[C@H]2CCNC2)c1F	1578877555	BPRJQCFBSJKJAZ-GZMMTYOYSA-N	313.304	1.003	50	20	DDGD	
CNNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nccs1	1578745328	UPCHGZYKPVQJSQ-ZIAGYGMSSA-N	316.430	1.609	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc2c(c1F)CCNC2	1574546070	YCPOMCLARQFGIP-UHFFFAOYSA-N	318.352	1.428	50	20	DDGD	
C[C@]1(C(=O)O)CCN(S(=O)(=O)c2ccc(CCl)cc2)C1	1589200534	NLUPBFWHBQMGSJ-ZDUSSCGKSA-N	317.794	1.911	50	20	DDGD	
N[C@H](C(=O)NNc1ccncn1)c1ccccc1Br	1580115245	PVPCLKMLZJVGLR-NSHDSACASA-N	322.166	1.382	50	20	DDGD	
C/C=C/C(=O)N1CCCC12CN(C(=O)[C@@H](F)Br)C2	1845963222	CEVNAFWTPFDGBS-XCRNYIDWSA-N	319.174	1.456	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc[nH]n1	1847865969	WYDIWBINZNWTRR-DRZSPHRISA-N	324.812	1.633	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)[C@H](F)Cl)C3)O1	1843880959	ZDSIVSWJMIRQGX-MXWKQRLJSA-N	318.776	1.292	50	20	DDGD	
CC/C=C(\C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2	1846754329	JUBZLZGVBSXBBV-JVOXIWMLSA-N	314.813	1.146	50	20	DDGD	
CCCCC[C@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)O	1595670577	RZFZBLWYBPCJOM-OTAKNEKHSA-N	304.350	1.477	50	20	DDGD	
COc1c(C(=O)NNc2cccc(F)c2C(=O)O)cnn1C	1599327923	DTXXMHYCRVYNMB-UHFFFAOYSA-N	308.269	1.023	50	20	DDGD	
CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)NNC(=O)C(=O)O	1591094586	MXIQJUDQDKLXHH-AAEUAGOBSA-N	319.361	1.361	50	20	DDGD	
CSSCCNS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)O	1599804895	VWRIPQOARZJSLE-DTWKUNHWSA-N	313.466	1.560	50	20	DDGD	
Cn1nc(C(=O)O)cc1/C=C(\C#N)c1nnc2n1CCCCC2	1594569909	WXFRBUBHCDXPHX-JXMROGBWSA-N	312.333	1.500	50	20	DDGD	
CC1(C)CN(CC(=O)NNc2ccc(C(=O)O)c(Cl)c2)C1	1593941179	YODHVFUQILYXBD-UHFFFAOYSA-N	311.769	1.823	50	20	DDGD	
COc1cc(C(=O)N2CC=C(C#N)CC2)ccc1-c1nn[nH]n1	1591510922	HMZLPMDFIUHGFH-UHFFFAOYSA-N	310.317	1.171	50	20	DDGD	
Cc1cc(C)n(CCC(=O)NNc2ncccc2C(=O)O)n1	1594298502	PWZOGWNQLISNTQ-UHFFFAOYSA-N	303.322	1.127	50	20	DDGD	
COc1cc(/C=C(/C#N)C(=O)N2CCCC2)ccc1C(=O)O	1776122673	HYXNQLHTFKJTTE-WQLSENKSSA-N	300.314	1.923	50	20	DDGD	
O=C(Cc1ccc(O)cc1)NNc1nc2ccccc2c(=O)[nH]1	150760592	DQIROIINEPXVAD-UHFFFAOYSA-N	310.313	1.315	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1ccc([N+](=O)[O-])cc1O	162902465	KOKFYXMDQIYPMV-UHFFFAOYSA-N	307.306	1.642	50	20	DDGD	
C[C@H]1CC[C@H](CC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1	164226127	HMFXHEYSURGMKG-HUBLWGQQSA-N	318.373	1.800	50	20	DDGD	
CCN(CC(=O)NNC(=O)NCCc1cccs1)C1CC1	151747896	JPXXDIHWKSVRAL-UHFFFAOYSA-N	310.423	1.105	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccnc2NC(C)C)[nH]n1	151196653	MQNWANITNUFUFI-UHFFFAOYSA-N	302.338	1.008	50	20	DDGD	
O=C(NNC(=O)C1CC=CC1)c1cc(-c2cccs2)n[nH]1	152208162	AWXYUFJXANQUNW-UHFFFAOYSA-N	302.359	1.865	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccccc2O)ccc1F	155652231	IKSYAOCTECYPED-UHFFFAOYSA-N	304.277	1.615	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)Cc1cc(F)c(F)cc1F	156260116	WKMORJYNFDRBDN-UHFFFAOYSA-N	319.352	1.940	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1cccc(Cl)c1N(C)C	156383260	SKMCIEBTSRUPQD-UHFFFAOYSA-N	313.789	1.120	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ccc(C(N)=O)nn1)c1ccccc1	154382493	RDVOPILQOIVLBV-AWEZNQCLSA-N	313.361	1.458	50	20	DDGD	
C[C@@H](NC(=O)c1ccoc1)C(=O)NNc1ccncc1Cl	154469554	LHAYACXNXXALPW-MRVPVSSYSA-N	308.725	1.590	50	20	DDGD	
NC(=O)CN(CCI)Cc1ccccc1	190886713	GSZDIDZGJUMPAK-UHFFFAOYSA-N	318.158	1.409	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)N3CCOCC3)cc2C1	27338652	ODQADQJQWLGTIU-SNVBAGLBSA-N	323.418	1.560	50	20	DDGD	
Cc1n[nH]c(C)c1CCC(=O)NNC(=O)c1cccc(C#N)c1	103437290	KTXUFHBJWOOGMG-UHFFFAOYSA-N	311.345	1.292	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc(OCc2ccccc2C#N)cc1	56376446	BSQFBYXYGCXYFS-UHFFFAOYSA-N	324.340	1.711	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2cccn2C)c1	60392440	CRDRVJNYQBQXIP-UHFFFAOYSA-N	303.318	1.117	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cccnc2)[nH]c2c1C(=O)CCC2	27634610	RYQBMDMAMRWBNB-UHFFFAOYSA-N	312.329	1.312	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2cc(C#N)cs2)c1	177406851	VCQICQKRIONNAZ-UHFFFAOYSA-N	315.354	1.768	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1n[nH]c2ccccc12	66839967	YFUJFWJYBLTSOO-UHFFFAOYSA-N	312.304	1.706	50	20	DDGD	
C[C@H]1CCN(CC(=O)NNC(=O)C2CC2)c2ccccc2S1	112976045	FSDAPEWKDRDSIO-NSHDSACASA-N	319.430	1.935	50	20	DDGD	
CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)NNC(=O)c1ccc[nH]1	176779766	INRDZKJPPQUZLS-YPMHNXCESA-N	308.382	1.410	50	20	DDGD	
COC(=O)[C@H](C)CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	171082099	MMSBPRVTJKKKBU-ASOMJZDJSA-N	314.345	1.037	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccccc2)c2c(C)nn(C)c2n1	27576417	RJCGDENVDTVBMV-UHFFFAOYSA-N	323.356	1.660	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)CC1	125834088	BTKIXAXXHYWRKH-UHFFFAOYSA-N	312.713	1.218	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H](C)OC[C@@H]1CCCCO1	66308051	GCOCWUMKVYGVOR-KBPBESRZSA-N	320.389	1.730	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C[C@@H]2CCC[C@H]2C)c1O	184674992	IMVPRQVPYZAVBS-MNOVXSKESA-N	306.362	1.988	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(Cl)c(NC=C(C#N)C#N)c1	78608029	UYVYEUDVFNICLP-UHFFFAOYSA-N	310.766	1.933	50	20	DDGD	
CC(C)OCCCNC(=O)/C(C#N)=C/c1c(Cl)cnn1C	122024879	BJUXDXAYXLRKKB-YRNVUSSQSA-N	310.785	1.912	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)C1(c2ccc(Cl)cc2)CC1	70920090	KKNYCOLHSSVZHB-UHFFFAOYSA-N	323.780	1.044	50	20	DDGD	
COCc1cccc(NC(=O)NNC(=O)c2cccn2C)c1	183622446	RDKVVNYCTNXLFX-UHFFFAOYSA-N	302.334	1.638	50	20	DDGD	
CC1CCN([C@H](CNC(=O)NNc2cccnn2)C(C)C)CC1	77344579	YVOIUWLQVLYNJV-CQSZACIVSA-N	320.441	1.859	50	20	DDGD	
N#Cc1ccc(CNC(=O)NNc2ccc(Cl)nn2)cc1	125570581	SUMVCSOUUOJBFF-UHFFFAOYSA-N	302.725	1.828	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)c1cccc2nn[nH]c12	188520148	JACKMCXZKIIDGN-UHFFFAOYSA-N	311.330	1.720	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)COCc1ccccc1	78192471	LISCSXWIODVFBM-UHFFFAOYSA-N	312.369	1.902	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@H](C)CCCOC)n1	183571156	COKLMGCBDOACQP-GFCCVEGCSA-N	309.414	1.829	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)CCc1ccccc1)[C@H]1CCCO1	132070082	DCPDYBIVYLEMOD-LSDHHAIUSA-N	319.405	1.907	50	20	DDGD	
O=C(CCCCc1c[nH]nn1)NNc1ncnc2ccsc12	139559971	AAYZEYKEOPUBGO-UHFFFAOYSA-N	317.378	1.666	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(N2CCCC2=O)cc1	41962334	ZEVNTQTXXQPFJW-UHFFFAOYSA-N	318.402	1.108	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccccc1NC(=O)NC(C)C	139230056	FQPCRWSRDKOQCI-UHFFFAOYSA-N	307.354	1.180	50	20	DDGD	
CC(C)(C)OC(=O)CCC(=O)NNC(=O)Cc1ccccc1F	192308303	GJVBZBJAQYPNOP-UHFFFAOYSA-N	324.352	1.638	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNc1cc(Cl)nc(N)n1	133922440	OVPKGBOYEMXFJG-LURJTMIESA-N	323.788	1.689	50	20	DDGD	
NC(=O)[C@H]1CC[C@@H](C(=O)NNc2ccc(Cl)cc2Cl)O1	193631917	WLYZJQQDWCZAML-ZJUUUORDSA-N	318.160	1.469	50	20	DDGD	
C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccccc1	238462064	QBQIRPHEUPTGIZ-PWSUYJOCSA-N	309.366	1.404	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H](C)c1cccc(F)c1	94120916	KCEFZOAHEMTUDW-VIFPVBQESA-N	315.439	1.788	50	20	DDGD	
CO[C@H](C)C(=O)NNc1nc(-c2ccccn2)nc2c1CCC2	267226952	VHUMHSYZTKKTAR-SNVBAGLBSA-N	313.361	1.505	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)[C@@H]1CCCN1C1CCCC1	269666089	KRBFLVMMYCLCBZ-NSHDSACASA-N	309.801	1.980	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)CNc2cccc(OC)c2)O1	268096537	AFQDCHDZXGKMES-OCCSQVGLSA-N	321.377	1.212	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@]12CCc1ccccc12)c1ccccn1	266526227	DJHIGINJHWYIOD-KDOFPFPSSA-N	307.353	1.747	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)[C@@H]1CCOC1	266593182	RBAVLICBWAQPGE-ZYHUDNBSSA-N	309.341	1.124	50	20	DDGD	
C[C@@H](CN1CCOCC1)NC(=O)NNc1c(F)cccc1F	265455847	MCUDDUAESQBTMK-JTQLQIEISA-N	314.336	1.312	50	20	DDGD	
COCCOCc1cc(C(=O)NNC(=O)C2CC2)ccc1F	266010470	HIMHFASHDNXGOR-UHFFFAOYSA-N	310.325	1.160	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)O1	268251201	BUKQBIJRETXAAJ-JTNHKYCSSA-N	324.352	1.698	50	20	DDGD	
O=S(=O)(CBr)NC[C@@H](O)CCc1ccccc1	273063691	ICXQOWCTUWYHPF-NSHDSACASA-N	322.224	1.252	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(C)cc1C	276587628	PLEQOFPWPXLPAA-UHFFFAOYSA-N	308.378	1.854	50	20	DDGD	
CCCc1nnc(S)n1CC(=O)NNc1ccc(OC)cn1	275427059	APEKMCAOBWPUOV-UHFFFAOYSA-N	322.394	1.066	50	20	DDGD	
CC[C@@H](C(=O)NNc1nccn(C)c1=O)c1ccc(OC)cc1	271812786	LECNEQFZHAWMFD-CYBMUJFWSA-N	316.361	1.426	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(C(=O)NC)ccc1C	277197817	XMFACFFQEXOHIK-UHFFFAOYSA-N	307.354	1.052	50	20	DDGD	
CCCC[C@@H](NNC(=O)COc1ccc(OC)cc1)C(=O)OC	270553385	GXFCLDSQHZAMQB-CQSZACIVSA-N	324.377	1.427	50	20	DDGD	
CSSCCNC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1	376953084	MXLCRSSUJOSBAG-VXGBXAGGSA-N	319.496	1.238	50	20	DDGD	
COc1cc(C(=O)NN(C)C(N)=O)ccc1OCCC(C)C	272192609	NSXCZLUOHIJWHN-UHFFFAOYSA-N	309.366	1.775	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H](OC)C(C)C)c1	272677671	RMQWVFMTNFHEQD-ZDUSSCGKSA-N	309.366	1.770	50	20	DDGD	
COC(=O)[C@@H]1C[C@H](O)CN1CCO[Si](C)(C)C(C)(C)C	377523586	KEHQIQSQVVKUDG-RYUDHWBXSA-N	303.475	1.616	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@H]1CCO[C@@]2(CCOC2)C1	374490628	XTUCHBDOVLJYMT-HZMBPMFUSA-N	315.370	1.063	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ncccc1F)N1C[C@H](C)O[C@H](C)C1	285920141	IVDDPNKZPRTJOF-SCRDCRAPSA-N	324.400	1.798	50	20	DDGD	
COC(=O)[C@H]1CC[C@H](C(=O)NNc2nccnc2Cl)CC1	281664665	YFBVUDOUEPMFKA-KYZUINATSA-N	312.757	1.553	50	20	DDGD	
CCc1ccc([C@@H](O)CNC(=O)NNC(=O)C(C)(C)C)cc1	287492157	UCONNEGWQHSDSI-ZDUSSCGKSA-N	307.394	1.659	50	20	DDGD	
CSSCCNC(=O)N1CC[C@@H](c2nccn2C)C1	375166547	JQNXZIUBIJVCOR-SNVBAGLBSA-N	300.453	1.930	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2CCO[C@@H]2c2nccn2C)nc1	287028521	RQRBCWQGDZJDGD-AAEUAGOBSA-N	316.365	1.280	50	20	DDGD	
COC(=O)NNC(=O)c1cc2c(C(F)F)nn(C)c2s1	280158592	BJHCONOZSLVKNR-UHFFFAOYSA-N	304.278	1.573	50	20	DDGD	
C=CCN1CC[C@H](N(C)S(=O)(=O)CCCCCl)C1=O	281566137	PELFBWKFIPRANA-NSHDSACASA-N	308.831	1.054	50	20	DDGD	
COC(=O)[C@H]1CC[C@H](C(=O)NNC(=O)c2ccc(C)s2)CC1	280489764	AXKLHDAFRIIUGT-XYPYZODXSA-N	324.402	1.797	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNC(=O)C(C)(C)c1ccccc1	289900492	YHWFFKNOEVLUHE-GFCCVEGCSA-N	320.389	1.701	50	20	DDGD	
CCc1c(C(=O)NN(C)C(=O)OC)cnn1-c1ccc(F)cc1	286528774	YACAIUKNCSREJD-UHFFFAOYSA-N	320.324	1.917	50	20	DDGD	
COc1ccc(NNC(=O)CCc2ncc[nH]2)c([N+](=O)[O-])c1	807099553	YYCYUTMJPZGGKC-UHFFFAOYSA-N	305.294	1.402	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)[C@@H]1CCCO1)Sc1ccccc1	293400574	MOHSBVKFZUUMQS-YPMHNXCESA-N	323.418	1.677	50	20	DDGD	
COCc1cccc(CNC(=O)NNC(=O)[C@H]2CCCCO2)c1	296210576	FBTVXPQYEVMIJN-CQSZACIVSA-N	321.377	1.233	50	20	DDGD	
Cc1ccnc2ccc(C(=O)NNc3ncnc4[nH]cnc34)cc12	806893415	WBIDEYWRAQNZQH-UHFFFAOYSA-N	319.328	1.966	50	20	DDGD	
Cc1ccc2nc(C(=O)NNC(=O)[C@H]3CCCCO3)ccc2c1	295688467	YVNKCZLYGAHPAX-OAHLLOKOSA-N	313.357	1.873	50	20	DDGD	
CCOc1ccc(NNC(=O)c2ccn(CCOC)n2)cc1	294322566	LNOBKNSGNGOKMB-UHFFFAOYSA-N	304.350	1.685	50	20	DDGD	
C[C@@H](NC(=O)c1ccoc1)C(=O)NN(C)C(=O)OC(C)(C)C	297767139	UBXXYKGBEFCMNJ-SECBINFHSA-N	311.338	1.296	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccncn1)[C@H]1OCCc2sccc21	296889534	BGIHYQRDXPPRTI-NOZJJQNGSA-N	319.390	1.867	50	20	DDGD	
C[C@H]1CCCN(C(=O)C(=O)NN=c2cc[nH]c3ccccc23)C1	802527861	MPTLVLKHBBJBEV-LBPRGKRZSA-N	312.373	1.358	50	20	DDGD	
C#CC[C@H](Cc1ccccc1)NC(=O)NNC(=O)[C@@H]1CCCO1	291851507	HYVWDDDNEAZPMG-CABCVRRESA-N	315.373	1.130	50	20	DDGD	
COCc1nc(CNC(=O)NNc2ccc(OC)cn2)cs1	291136823	IMEFDSIRXISUPK-UHFFFAOYSA-N	323.378	1.519	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cn(C)nc2C2CC2)s1	291542084	PCYIJYWSDVTJSA-UHFFFAOYSA-N	304.375	1.742	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@H]1CCCCO1)n1cnc2ccccc21	295640901	UAQTUOIBHAVOKB-BXUZGUMPSA-N	316.361	1.314	50	20	DDGD	
Cn1ncc(C(=O)NNc2ncccc2F)c1C(F)(F)F	804215436	QJMJMCLHQNMRGF-UHFFFAOYSA-N	303.219	1.730	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNC(=O)Nc1cc(F)cc(F)c1	802003017	IDSZGIKRVBWXPM-UHFFFAOYSA-N	324.287	1.965	50	20	DDGD	
CO[C@@](C)(CNC(=O)NNC(=O)c1ccccc1F)C1CC1	291232233	MLRWMFQZLYTGMD-HNNXBMFYSA-N	309.341	1.585	50	20	DDGD	
C[C@H]1COCC[C@@H]1CNC(=O)NNC(=O)c1ccccc1O	807509066	QGPNLZMNYLNNDG-WDEREUQCSA-N	307.350	1.009	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)c1cc2c(s1)CCC2)OC	811969131	RTGABOJFPJVCFW-JTQLQIEISA-N	311.407	1.606	50	20	DDGD	
CCOc1ccc2c(c1)C(=NNC(=O)NCCCOC)CCO2	814819297	DTDGOMSQKCRRRL-UHFFFAOYSA-N	321.377	1.908	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=C2CCOC2(C)C)n1	814708511	IHAUVPDUCUWUGW-UHFFFAOYSA-N	308.407	1.857	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(-c2ccccn2)cc1	810333912	OWCDUFWQHANRSD-UHFFFAOYSA-N	300.318	1.548	50	20	DDGD	
CO[C@H]1CCC[C@@H](C(=O)NNc2ccc(-n3ccnc3)nn2)C1	816659823	CKWBKPRWNFAEBL-NEPJUHHUSA-N	316.365	1.311	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)COc2ccc(C#N)cc2)c(C)o1	814210256	NIPWHIPUEIDCNV-UHFFFAOYSA-N	314.301	1.003	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)NCCc2cccs2)cn1	814818463	TUUKDMLHLGPZLG-UHFFFAOYSA-N	318.406	1.480	50	20	DDGD	
Cc1c(C(=O)NCCCSC#N)nnn1-c1ccccc1	819698716	LSVHQOOMIRKXLL-UHFFFAOYSA-N	301.375	1.910	50	20	DDGD	
O=C(CCc1ncccn1)NNC(=O)Cc1ccc(Cl)cc1	812452573	WWXCIKZYLJMREM-UHFFFAOYSA-N	318.764	1.453	50	20	DDGD	
CC(C)OCCONC(=O)NNC(=O)c1cccc(N(C)C)c1	812950910	ICIKQJRXVHHHRX-UHFFFAOYSA-N	324.381	1.053	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(-c2ccccc2)c(C)n1	810276025	ZWLXBHUNINWRMK-UHFFFAOYSA-N	314.345	1.856	50	20	DDGD	
NCC1(CC(=O)NNc2nc(-c3ccc(Cl)cc3)no2)CC1	817938588	NSTZLZOAOBAFFO-UHFFFAOYSA-N	321.768	1.962	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1nc(Cl)sc1Cl	816824438	ZFXLNWKQKFLTJG-UHFFFAOYSA-N	319.173	1.863	50	20	DDGD	
O=C(COc1ccc(Cl)c(F)c1)NNc1ncc(F)cn1	815881719	XDWWZCRRLYEXKH-UHFFFAOYSA-N	314.679	1.930	50	20	DDGD	
CO[C@@H](C)CNC(=O)NNC(=O)Cc1c[nH]c2ccccc12	821469836	QUCQVIHVTFTICI-JTQLQIEISA-N	304.350	1.076	50	20	DDGD	
Cc1ccccc1C[C@@H]1CCCN1CC(=O)NNC(=O)C(C)C	827828585	CJOHCTBGBODXEZ-INIZCTEOSA-N	317.433	1.805	50	20	DDGD	
CN(C/C=C/C(=O)NNc1ncc(F)cc1F)CC(F)(F)F	493447757	CYKMEKMZRDZQQR-NSCUHMNNSA-N	324.253	1.853	50	20	DDGD	
CC(=NNC(=O)C1CCCC1)c1ccc(-c2nn[nH]n2)s1	823948769	XGJVXLNVGLNBGP-UHFFFAOYSA-N	304.379	1.959	50	20	DDGD	
CC(C)N(CCC(=O)NNc1cccnn1)C(=O)OC(C)(C)C	495301642	HEKAYEMTXKSBAK-UHFFFAOYSA-N	323.397	1.955	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1CCN(c2ccccc2)C1	822777251	BFQYODKSMVEZFR-CYBMUJFWSA-N	304.394	1.643	50	20	DDGD	
COC(=O)NCC(=O)NNc1ncnc(Cl)c1C(C)C	495746761	NWPMSNMXOKPWSF-UHFFFAOYSA-N	301.734	1.053	50	20	DDGD	
CC(C)NC(=O)[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(O)cc1	491133175	OQPPWVZSTRXGAI-JYVXZMADSA-N	301.346	1.328	50	20	DDGD	
CCN(CCO)NC(=O)Cc1scnc1-c1ccccc1	823888946	BPNOYKOLKWLWMY-UHFFFAOYSA-N	305.403	1.698	50	20	DDGD	
CC(=O)NNC(=O)[C@H]1CCCC[C@]1(C)NC(=O)OC(C)(C)C	495737250	NEUYXBNWWDWLJL-ABAIWWIYSA-N	313.398	1.627	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1	827269619	ZGPPKKZGUHLWQA-ARFNZGECSA-N	307.394	1.130	50	20	DDGD	
CCN(CCO)NC(=O)[C@H]1CCCCN1C(=O)c1ccccc1	823842034	OLYBOIITODNGIT-OAHLLOKOSA-N	319.405	1.027	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CC[S@@](=O)C2)cc1	490726778	VBXYVZIPYNHTCC-XZPQDZHYSA-N	318.398	1.629	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NOCC2CCC2)c1F	824110751	AUGWTGHQWXTMCH-UHFFFAOYSA-N	311.313	1.970	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC[C@@H](Cc2ccccc2)C1	827754053	XHTLEUDTTILWLM-INIZCTEOSA-N	317.433	1.745	50	20	DDGD	
CC[C@@H](C)[C@@H](C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	825050452	JRMPXJILKAEPGM-NXEZZACHSA-N	316.365	1.310	50	20	DDGD	
COC(=O)NCC(=O)NNC(=O)c1ccc(Cl)cc1Cl	490750889	JMCJSZNVZODBAQ-UHFFFAOYSA-N	320.132	1.110	50	20	DDGD	
CCOc1ccc(/C=C/C(=O)N2CC[C@@H](B(O)O)C2)cc1OC	585075956	VCMSRVGLZZBVCH-VUDGCMKMSA-N	319.166	1.182	50	20	DDGD	
COc1ccc(Br)c(NNC(=O)[C@H]2CCOC2)c1	822821321	QBIPMXWXWUMFEB-QMMMGPOBSA-N	315.167	1.937	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2CCSc3ccc(F)cc32)c1	585014860	GOGAQVXOEWYRJH-OAHLLOKOSA-N	317.194	1.832	50	20	DDGD	
OB(O)c1ccccc1CN[C@H]1CCCOc2c(F)cccc21	585034543	QUQGQSUNYGZGNT-INIZCTEOSA-N	315.153	1.509	50	20	DDGD	
COC(=O)[C@@H](C)Oc1ccccc1C=NNC(=O)NCC1CC1	901178182	ZRDXIWHQEVGCNP-LLVKDONJSA-N	319.361	1.670	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1ccc2c(c1)OCCCO2	735414101	UYFVTCPIRDTVPD-UHFFFAOYSA-N	314.345	1.735	50	20	DDGD	
CN(C)CCOCCNC(=O)/C(C#N)=C/c1ccc(F)cc1	490874036	FOGLXMVIXHYEDQ-SDNWHVSQSA-N	305.353	1.427	50	20	DDGD	
C[C@]1(C(=O)NCCCOC[C@@H]2CCCO2)C[C@H]1Br	906672187	XBQMBUPEFKOUBM-LOWVWBTDSA-N	320.227	1.862	50	20	DDGD	
CC(C)CC[C@@H]1CCCCN1C(=O)c1cccc(B(O)O)c1	584962878	SJXAPBOPTJKPOC-INIZCTEOSA-N	303.211	1.797	50	20	DDGD	
CC[C@@H]1C[C@H]1CNC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	838665041	HHCUDDBHAMBPLY-TUAOUCFPSA-N	323.368	1.970	50	20	DDGD	
OB(O)c1ccccc1CN[C@H]1CCOC2(CCCCC2)C1	585030853	KEDHSQIDSFGWPJ-HNNXBMFYSA-N	303.211	1.338	50	20	DDGD	
C[C@H](CC(F)(F)F)c1nc(-c2ccc(B(O)O)cc2)no1	585053854	IFNAFWIGAXWOMX-SSDOTTSWSA-N	300.045	1.472	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)CC(F)(F)F)CC1(Cl)Cl	838668606	NXAGITZJJRUJAG-SSDOTTSWSA-N	322.114	1.853	50	20	DDGD	
Cc1cc(C(=O)NN[C@@H](C(=O)O)c2cccc(C#N)c2)c(C)o1	832864896	WTFJLVYHUHYYRC-CQSZACIVSA-N	313.313	1.828	50	20	DDGD	
CC(C)(C)c1ccncc1CNCc1ccc(B(O)O)cc1F	585045875	IXEULXYVSKLYCG-UHFFFAOYSA-N	316.185	1.488	50	20	DDGD	
Cc1[nH]c(C(=O)NNC(=S)NC(C)(C)C)c(C)c1C(=O)O	738157978	UWJSXEHTSDFTEU-UHFFFAOYSA-N	312.395	1.237	50	20	DDGD	
CC(C)c1ccccc1NC(=S)NNC(=O)[C@@H]1CCNC1=O	834742552	VHCOBDPWYGAVNS-LLVKDONJSA-N	320.418	1.264	50	20	DDGD	
COc1ccc(OCC(=O)NN=C2CCn3ccnc32)cc1	834922491	HGWCOWBKYYDCTP-UHFFFAOYSA-N	300.318	1.195	50	20	DDGD	
CC(=NNC(=O)CSc1ccc(C)cc1)c1cnn(C)n1	834928950	FGFCOMAZTOHXFO-UHFFFAOYSA-N	303.391	1.756	50	20	DDGD	
CCOc1cccc2c1CC[C@H]2NCc1ccc(B(O)O)o1	585023782	LYSZHQSYFQMKMD-CQSZACIVSA-N	301.151	1.135	50	20	DDGD	
Cc1nn(C)c2ncc(/C=C(\C#N)S(=O)(=O)N(C)C)cc12	588616161	VAXACBGJFCDFRQ-VZUCSPMQSA-N	305.363	1.033	50	20	DDGD	
CCC(C)(C)OCC(=O)NNC(=O)Cc1cn2ccccc2n1	837450405	HISXUTOILXZPAM-UHFFFAOYSA-N	318.377	1.229	50	20	DDGD	
CC(C)[C@]1(C)C[C@@H]1NC(=O)NNC(=O)COCc1ccccc1	838764042	LTRBSHRIMLNASH-YOEHRIQHSA-N	319.405	1.968	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@@H]2CCc3ccccc3OC2)cn1	831871966	FPSMVLCXDOWPQN-MVMZHWFQSA-N	322.368	1.837	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)CNc1ccc(C)cc1C	732528169	TZBGPRFKWIOXCY-UHFFFAOYSA-N	311.407	1.252	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2cnc(C)n2C)cc1C	908325816	XTJBBRLFAATGGD-UHFFFAOYSA-N	316.361	1.971	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)N=c2ccn(C)[nH]2)c1F	588619156	KPPNPKPHDYEYML-FLIBITNWSA-N	300.293	1.535	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCC[C@H]2CCOC2)c1	838715257	SBBANADGERXZLN-LBPRGKRZSA-N	321.377	1.916	50	20	DDGD	
CS(=O)(=O)/C(C#N)=C\c1cnn(Cc2ccc(F)cc2)c1	588534914	YHEBMZAGAZWISB-NSIKDUERSA-N	305.334	1.980	50	20	DDGD	
O=C(Cc1ccsc1)NNC(=O)[C@H]1CCC[C@@H](C(=O)O)C1	833119976	KNPGLFVXGFNUCQ-WDEREUQCSA-N	310.375	1.329	50	20	DDGD	
CCN(CCC(=O)O)C(=O)c1c(C)nn(CCCl)c1C	737094706	IXODWKVPAVCDAY-UHFFFAOYSA-N	301.774	1.676	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(OC)cc(Cl)c1F	839717680	OZPXTVZOPKYWMI-UHFFFAOYSA-N	303.721	1.794	50	20	DDGD	
COCC[C@@H](C)NC(=O)NNc1cccc(C(=O)OC)c1F	838120955	YAPGVCXFLQZETQ-SECBINFHSA-N	313.329	1.663	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H](C(=O)NNC(=O)[C@H]2CCCCO2)C1(C)C	833241668	DKWDVUGWUYPOGD-NTZNESFSSA-N	310.394	1.344	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(F)cc1Cl)c1nncn1C	914164508	HQVXUUUZLAROEA-SSDOTTSWSA-N	312.736	1.995	50	20	DDGD	
CCn1c(NNC(=O)c2ncccc2C)nc2ccccc2c1=O	749889458	YZRJGDIIUCSPFR-UHFFFAOYSA-N	323.356	1.877	50	20	DDGD	
Cn1c(CC(=O)NN=C2CCn3ccnc32)nc2ccccc21	834927097	ZZRIKPGUUDHFFN-UHFFFAOYSA-N	308.345	1.237	50	20	DDGD	
O=C(CN1CCCC1=O)NNC(=O)C1(C2CCCCC2)CC1	913730549	ZNSDQIWCAJMRBH-UHFFFAOYSA-N	307.394	1.117	50	20	DDGD	
CN(C)CCc1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)cc1	848157985	MWRFVKQJHAIRRC-HNNXBMFYSA-N	319.405	1.121	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)c2ccn(C(C)C)n2)cc1	846374595	UNNGKMVXERZTKE-UHFFFAOYSA-N	316.361	1.936	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCCC1CCNCC1	846209827	HUHSHSVGNDGKHA-UHFFFAOYSA-N	322.384	1.088	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(Cl)cc2)CCN1	841988346	QUAYNUORQRPPII-CABZTGNLSA-N	310.785	1.425	50	20	DDGD	
O=C(NCCOC[C@H]1CCOC1)NNc1ccc(F)c(F)c1	917802308	RUCUVMXNUPLTJC-JTQLQIEISA-N	315.320	1.644	50	20	DDGD	
CN(C)C(=O)NNC(=O)CN[C@H](c1ccccc1)C(F)(F)F	746185826	ZBEZPNNXRUWWEL-LLVKDONJSA-N	318.299	1.182	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2cccc(C#N)c2)[C@@H](C)[C@H]1C	841578611	QYYBHABYOLDNJV-WOPDTQHZSA-N	300.362	1.889	50	20	DDGD	
O=C(CC(F)(F)F)NN=C1CCN(c2cnccn2)CC1	917552164	NVEKIUMLQLIHDY-UHFFFAOYSA-N	301.272	1.501	50	20	DDGD	
Cc1ccc(C)c(S(=O)(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	842587108	WCVZJIBGCINSOL-RYUDHWBXSA-N	312.391	1.038	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@H]1CCCN2CCCC[C@H]12	848508666	PIQQHNZKZHJRJB-QWHCGFSZSA-N	308.875	1.942	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccc(C#N)cc1)Cc1ccoc1	745983504	UGONVVLILBLXIZ-UHFFFAOYSA-N	312.329	1.044	50	20	DDGD	
C[C@H](CCCN)NC(=O)NNC(=O)Nc1ccc(Cl)cc1	841999997	RTYRPTBJZCWNAN-SECBINFHSA-N	313.789	1.803	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cnc(N2CCCC2)nc1	914773412	UDPYQVNDCWLGKX-UHFFFAOYSA-N	318.425	1.259	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCc2c[nH]nc2C)cc1	844891788	YLLQBXAHILXWKK-UHFFFAOYSA-N	317.349	1.260	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H](C[C@@H]1CCCO1)C(F)(F)F	845302555	VHRUAHALVJOWKB-IUCAKERBSA-N	311.304	1.474	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccc2c(c1)OCCO2	842553264	GYMBIKWXVHAPNG-DGCLKSJQSA-N	304.346	1.723	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1	910162603	IFINGXSFKYNEMX-DYVFJYSZSA-N	319.405	1.025	50	20	DDGD	
C[C@@H](Cc1cnc[nH]1)C(=O)NNC(=O)c1cc2c(s1)CCC2	847288123	UYGHSGSZDGZXKH-VIFPVBQESA-N	318.402	1.600	50	20	DDGD	
C[C@H]1CCC[C@H](C(=O)NNC(=O)COc2ccccc2O)C1	741687860	FXMQMQBDLWHXKV-RYUDHWBXSA-N	306.362	1.745	50	20	DDGD	
O=C(NNc1ccc(Cl)c(F)c1)[C@H]1CCS(=O)(=O)C1	746700580	YELRNAPLZGOEBW-ZETCQYMHSA-N	306.746	1.357	50	20	DDGD	
O=C(CCCCN1CCCC1)NNC(=O)Cc1ccncc1	747429721	QKSYEDYXNLCZLN-UHFFFAOYSA-N	304.394	1.038	50	20	DDGD	
C[C@H]1C[C@@H]1CNC(=O)NNc1ncc(Br)cn1	847288676	LZUGWXJPQWXFMS-NKWVEPMBSA-N	300.160	1.521	50	20	DDGD	
CSCCNC(=S)NNC(=O)CC1(CSC)CC1	845907138	MSZZKJCMJJARPX-UHFFFAOYSA-N	307.510	1.378	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1	841936562	OEIDXPPWHBSPTQ-CQSZACIVSA-N	322.409	1.177	50	20	DDGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCOCN2)c(C)n1CC(C)C	928954076	WETJIPNCDCVIKZ-LZYBPNLTSA-N	316.405	1.989	50	20	DDGD	
CCCC[C@@H](CN)NC(=O)NNC(=O)c1ccc(C#N)cc1	841959205	WJJKVFOYXCMKGT-ZDUSSCGKSA-N	303.366	1.020	50	20	DDGD	
CCOCCCC(=O)NNc1ncc(Br)cn1	848320123	LETFNHDGCYKXRI-UHFFFAOYSA-N	303.160	1.499	50	20	DDGD	
Cc1ncc(C=NNC(=O)Cn2c(C)nc3ccccc32)n1C	853268572	IBYZEHODCLSPRA-UHFFFAOYSA-N	310.361	1.537	50	20	DDGD	
O=C(C[C@@H]1CSCCS1)NNc1ncccc1[N+](=O)[O-]	752625717	JGKFLHXYQQBZDG-MRVPVSSYSA-N	314.392	1.672	50	20	DDGD	
C[C@@H]1C(=O)N(C[C@]2(C)C[C@H]2Br)C(=O)N1C1CC1	857227614	QUSNRJJSSNABMZ-GMEUVTARSA-N	301.184	1.975	50	20	DDGD	
CC(=O)c1csc(C(=O)NNC(=O)OCC(F)(F)F)c1	856023311	DLEVHCIPWMLLGH-UHFFFAOYSA-N	310.253	1.884	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cccc(C(=O)N2CCCC2)c1C	756277195	QGOCQHIHVOCQKW-UHFFFAOYSA-N	318.377	1.794	50	20	DDGD	
C[C@@]1(CNC(=O)NCC2(O)CCOCC2)C[C@H]1Br	856956976	XQUHRNOOLKBALH-KOLCDFICSA-N	321.215	1.001	50	20	DDGD	
C#CCNC(=S)NNC(=O)CNc1c(C)cc(C)cc1C	758181139	ONQMGYDVZIQFGN-UHFFFAOYSA-N	304.419	1.152	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	758997592	SJKLTYZICAURTO-UHFFFAOYSA-N	317.389	1.921	50	20	DDGD	
CN(C)c1nccc(NNC(=O)CCc2cccnc2Cl)n1	857133599	YAIBVTJRBWLHPF-UHFFFAOYSA-N	320.784	1.667	50	20	DDGD	
N#Cc1ccc(NNC(=O)CCc2nc[nH]n2)cc1C(F)(F)F	755833874	OCXVYIZGAPAQGE-UHFFFAOYSA-N	324.266	1.771	50	20	DDGD	
COC(=O)Cn1cccc1C=NNC(=O)OCC(F)(F)F	853429444	LBONIOZPKXANMD-UHFFFAOYSA-N	307.228	1.284	50	20	DDGD	
C[C@H]1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)[C@H]1C	752317587	CEKFCAJRFMHAKM-RYUDHWBXSA-N	300.362	1.050	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc([S@](=N)(=O)O)o2)o1	752526145	ARTVFOHIDJKNIE-UHFFFAOYSA-N	313.291	1.134	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1cc2ccncc2s1	853278755	IJRXGDYDABCZJH-UHFFFAOYSA-N	302.359	1.369	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(F)c(F)c1)c1nnnn1C1CC1	922179782	ZLJVJXFIZGKOKB-ZETCQYMHSA-N	323.307	1.674	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)Cc2ccc(C)o2)cn1	754229958	PFVBADCTDIDKFH-UHFFFAOYSA-N	320.374	1.552	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1ccc(C(N)=O)cc1F	756821273	OJCDITWJACVRBX-UHFFFAOYSA-N	310.329	1.514	50	20	DDGD	
Cc1ncc(NC(=O)NNC(=O)c2ccc(Cl)nc2)cn1	756371010	LIQZZQLVSFUNOJ-UHFFFAOYSA-N	306.713	1.300	50	20	DDGD	
C[C@]1(CNC(=O)c2cc(F)cnc2O)C[C@H]1Br	857407882	MYPOPPVRFMXVLQ-LDYMZIIASA-N	303.131	1.830	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H](OC)c2ccccc2)nc1	759729220	QCIKUWBDDPLTPO-AWEZNQCLSA-N	315.329	1.699	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc(C)c3cn[nH]c23)n[nH]1	756524483	JRPABSUZUSWWAW-UHFFFAOYSA-N	313.321	1.369	50	20	DDGD	
O=C(C[C@@H]1CC(=O)N1)NNc1nc2ccc(Cl)cc2s1	856237232	ZMPGQEVCSNMPLL-ZETCQYMHSA-N	310.766	1.671	50	20	DDGD	
C[C@H](CCC(C)(C)C)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	754032656	ZUBAWHFDGWEOEK-CHWSQXEVSA-N	318.483	1.941	50	20	DDGD	
CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@]1(C)C[C@@H]1Br	857690272	ZCPMWJGQFFHGGW-GMXVVIOVSA-N	319.243	1.827	50	20	DDGD	
C[C@H]1[C@@H](C)SCCN1C(=O)NNC(=O)c1cccc(F)n1	852709771	FMWPQRARUFLUAE-DTWKUNHWSA-N	312.370	1.401	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@@H]2CCC(=O)N2C)cc1F	854882745	OJCUSZUXKGVIKB-JTQLQIEISA-N	323.324	1.066	50	20	DDGD	
Cc1cc(CS(=O)(=O)NC[C@]2(C)C[C@H]2Br)on1	856755560	WAVTYEXKDYXGSK-ZJUUUORDSA-N	323.212	1.576	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC(=O)c2ccccc21)OCC(F)(F)F	856020695	QALQUMQQKBQAIT-SECBINFHSA-N	316.235	1.676	50	20	DDGD	
CC(C)NCCCNC(=O)NC[C@]1(C)C[C@H]1Br	857103108	BUZJDQKZYXHHMG-PWSUYJOCSA-N	306.248	1.847	50	20	DDGD	
COc1cccc(C(=O)NNc2nc(-c3ccncc3)no2)n1	752521934	WNRGYJYZWZMMDF-UHFFFAOYSA-N	312.289	1.292	50	20	DDGD	
COC[C@](C)(NC(=O)NNC(=O)C1CCCC1)C(F)(F)F	932334887	RVNXYGGWIREEOQ-NSHDSACASA-N	311.304	1.474	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H](C)c2ccc[nH]2)cc1	760875743	YPMOXNCFZBAKIH-GFCCVEGCSA-N	316.361	1.794	50	20	DDGD	
O=C(NN=Cc1cnc(C2CCCC2)s1)C(=O)N1CCCC1	767779418	MHGGPQKYQNPRCA-UHFFFAOYSA-N	320.418	1.873	50	20	DDGD	
Cc1cccc(NNC(=O)c2ccnc(O[C@H]3CCOC3)c2)n1	862521679	WNFNJIIXPJXMJQ-ZDUSSCGKSA-N	314.345	1.710	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCSC(CC)(CC)C1	766986248	FAVLZGLZFZJNPA-NSHDSACASA-N	301.456	1.540	50	20	DDGD	
Cc1cc2cc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)oc2cc1C	862456664	QRKNIXUUBGGIAU-NSHDSACASA-N	315.329	1.089	50	20	DDGD	
CC(C)N1CC[C@H](NC(=O)[C@@H](Br)C(C)(C)C)C1=O	768149063	VBDJLCCBBHDIGJ-VHSXEESVSA-N	319.243	1.922	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)CNc1ccc(OC)cc1)C1CC1	863853842	RBOJYVWOPMBXRR-HNNXBMFYSA-N	321.377	1.070	50	20	DDGD	
CC(=O)N[C@H](CC(C)C)C(=O)NNC(=O)c1cc(C)cs1	862480993	QIEIZBWENXGZLA-LLVKDONJSA-N	311.407	1.368	50	20	DDGD	
N#Cc1c(F)ccc(C=NNC(=O)C(=O)NC2CC2)c1Cl	761784183	AIQNPOZTWFZUOK-UHFFFAOYSA-N	308.700	1.079	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)C[C@H]1CCCC(F)(F)C1	867255557	LQZCPELXUPTHBA-QMMMGPOBSA-N	300.327	1.345	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CCCCN2C)c([N+](=O)[O-])c1	768332311	HQMUAWCXZRQTHB-GFCCVEGCSA-N	308.338	1.531	50	20	DDGD	
Cc1cc(=O)c(C(=O)N2CC=C(C#N)CC2)nn1-c1ccccc1	767160503	RYDDKKBYVVRDNR-UHFFFAOYSA-N	320.352	1.837	50	20	DDGD	
COCCn1cc(C(=O)OC[C@@H](C)CBr)cn1	869741984	CDTNEBWOBYVLFJ-VIFPVBQESA-N	305.172	1.717	50	20	DDGD	
Cc1cccc(-c2n[nH]cc2C=NNC(=O)[C@H]2CCC(=O)N2)c1	863148142	UTJMWGFXVGKLEU-CYBMUJFWSA-N	311.345	1.114	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc2c(c1)C[C@@H](C)O2	933141111	IZZUWGIHSPINFG-GBIKHYSHSA-N	319.361	1.588	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNCC(F)(F)C(F)(F)F	863097331	IXZMKOZLXYIXER-UHFFFAOYSA-N	320.258	1.784	50	20	DDGD	
C[C@H](NNC(=O)c1cncc(-c2cnn(C)c2)c1)C(F)(F)F	862312631	QANCGLKICUGCNF-QMMMGPOBSA-N	313.283	1.667	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)Nc1nc2ccccn2n1	760037670	PWDKABFMJWEFLA-UHFFFAOYSA-N	314.280	1.335	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H](C)NC(=O)C2CCCCC2)cc[nH]1	862510456	HSRYPIBWZFLNOA-GFCCVEGCSA-N	304.394	1.340	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1ccc(OCC#N)cc1	767408158	WWWSEKBPMGYCHO-UHFFFAOYSA-N	311.345	1.703	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Cc1c[nH]c2cnccc12	1117739277	SWYRIDUHMYICBF-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
Cc1nc[nH]c1C(=O)NNC(=S)NCCc1cccs1	873881330	RLBLFERDWBLZJR-UHFFFAOYSA-N	309.420	1.131	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cc1ccccc1CC#N)C1CC1	776978988	PEFBOFDJNKLXIV-LLVKDONJSA-N	316.430	1.589	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ncc(Cl)cc2Cl)o1	775272113	AALRPUSAEZZPCI-UHFFFAOYSA-N	315.116	1.837	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccc(Br)s1	875099750	XTRQTSXXQOCHAB-UHFFFAOYSA-N	322.184	1.923	50	20	DDGD	
COc1ccnc(NNC(=O)C(=O)Nc2ccc(C)cc2F)n1	773729818	ANOPOMYELRGUPS-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
O=C(NNc1ccccn1)[C@H]1CC(=O)N(C2CCCCC2)C1	777472358	DGAMLIXAIMPQGT-LBPRGKRZSA-N	302.378	1.706	50	20	DDGD	
CC[C@](C)(NCC(=O)NNC(=O)C1CC1)c1ccc(F)cc1	879128128	JSCPOHWRTRFHMT-INIZCTEOSA-N	307.369	1.598	50	20	DDGD	
Cc1cccc(NNC(=O)NCCCCN2CCN(C)CC2)n1	875306279	MRSAQFCENVYPBX-UHFFFAOYSA-N	320.441	1.044	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)C(=O)NNC(=O)c1ccccc1Cl	1117931054	BJSAXAGTLUIQLV-JTQLQIEISA-N	320.780	1.713	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)co1	776318370	XFIVZZMMEMEMRQ-MRVPVSSYSA-N	307.281	1.351	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1O	776182038	MKSFDCNTPQLOLG-UHFFFAOYSA-N	313.273	1.934	50	20	DDGD	
CN(CCC(=O)O)C(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	776638412	VIBRHLUPKCUQGX-HOTUBEGUSA-N	304.184	1.873	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@H]1CC(=O)N(C2CCCCC2)C1	772547074	JGJDQZIMDAJZGR-LBPRGKRZSA-N	322.409	1.051	50	20	DDGD	
COc1cc(C(=O)NN=C2CCCOCC2)cc(OC)c1OC	770594687	NLBQPVOMIQWHKT-UHFFFAOYSA-N	322.361	1.999	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ccc3ccccc3n2)n(C)n1	773662255	SWKCAUOAOBZFLX-UHFFFAOYSA-N	324.344	1.359	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1c(F)ccc(C)c1F	772233894	ADJKZCNVLRDNMQ-MRVPVSSYSA-N	314.288	1.376	50	20	DDGD	
CC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)CC(C)(C)CCl	885386681	XSNHIMBQOPMBQT-UWVGGRQHSA-N	312.863	1.474	50	20	DDGD	
COCC(=O)Nc1ccc(OS(=O)(=O)CCCCl)cc1	881890537	CBMHFNKBHOHVCG-UHFFFAOYSA-N	321.782	1.609	50	20	DDGD	
CC(=NNC(=O)Cc1cn2ccccc2n1)c1cnn(C)c1C	778541205	DHWBZVZDCZTVFU-UHFFFAOYSA-N	310.361	1.459	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H](CO)C[C@H]1CCCO1	885526002	XPSMVOGKMHOLIC-GHMZBOCLSA-N	313.847	1.101	50	20	DDGD	
CSC1(C(=O)NNC(=O)COc2ccc(C)c(C)c2)CC1	788684446	VQZBIOOAHZROLC-UHFFFAOYSA-N	308.403	1.725	50	20	DDGD	
CC1(C)[C@H](NC(=O)NNc2ccc(C#N)cn2)[C@@H]2CCO[C@H]21	888355038	JDNRJABEPXJFGU-CYZMBNFOSA-N	301.350	1.393	50	20	DDGD	
COCCOc1cccc(CC(=O)N2CC=C(C#N)CC2)c1	780686437	KZCLGVPACYHHEY-UHFFFAOYSA-N	300.358	1.937	50	20	DDGD	
COC1(C(=O)NNC(=O)c2cc(Br)c[nH]2)CCC1	781574649	NXNNRMQOMSXFST-UHFFFAOYSA-N	316.155	1.107	50	20	DDGD	
C=CCCN(C)C(=O)NNC(=O)Cn1ccc2ccccc21	786117434	LDPINMMZDDDNDL-UHFFFAOYSA-N	300.362	1.890	50	20	DDGD	
COc1ccc(F)c(C(=O)NNC(=O)c2cccnc2)c1OC	788491108	AHZAVHUCOCCOSV-UHFFFAOYSA-N	319.292	1.313	50	20	DDGD	
CC(=NNC(=O)c1cc(Br)c[nH]1)c1cc(C)nn1C	788974401	CANNDXMKRZJZMK-UHFFFAOYSA-N	324.182	1.973	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@H](O)c1ccccc1Cl	899995899	BDPJDZYMVRLDOM-SNVBAGLBSA-N	315.826	1.667	50	20	DDGD	
C[C@@H](O)CN(C1CCCCC1)S(=O)(=O)CBr	782453398	HNHCHRLYPNFYHG-SECBINFHSA-N	314.245	1.684	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ncncc2Cl)cc1	781818885	PLLPBETWSQTQNM-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
CO[C@]1(C(=O)NNc2cnnc3ccccc23)CCSC1	896360289	GXCXBIFXKLTVSV-CQSZACIVSA-N	304.375	1.595	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N2CCC(N)(CC)CC2)cc1	892917765	RJVFTPAVKOLDIW-UHFFFAOYSA-N	318.421	1.807	50	20	DDGD	
COc1ccc(NNC(=O)c2ccccc2Cn2cncn2)nc1	781525621	PDZNMXQRYFJCST-UHFFFAOYSA-N	324.344	1.487	50	20	DDGD	
Cn1cc(-c2n[nH]cc2C(=O)NNc2ncccc2Cl)cn1	781932648	VJOSGXOYSYPYFX-UHFFFAOYSA-N	317.740	1.616	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H](C(=O)NNC(=O)NCC(F)(F)F)C1(C)C	798314848	CYQFWMIJZGRRBC-SFYZADRCSA-N	323.315	1.521	50	20	DDGD	
CCNC(=O)NNC(=O)[C@](C)(O)CSc1cccc(F)c1	795588755	ZMLURSVERBFIGH-CYBMUJFWSA-N	315.370	1.019	50	20	DDGD	
Cc1cccc(OCC(=O)NN=C2CC(=O)N3CCCC[C@H]23)c1	799467939	KDBZLXQWOWLLNO-OAHLLOKOSA-N	315.373	1.631	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CC1(O)CCCCC1	790062802	ADXKYDXODUFDAU-UHFFFAOYSA-N	316.398	1.008	50	20	DDGD	
O=C(CCSCc1ccccc1)NNC(=O)N1CCOCC1	792107677	PXHFJYGYPCUHRL-UHFFFAOYSA-N	323.418	1.383	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)c1cc(-c2ccccc2)on1)C1CC1	792033105	IKRLHEPKHOGTTM-CQSZACIVSA-N	315.329	1.528	50	20	DDGD	
CSSCCNC(=O)NCCNc1ccc(C#N)cn1	790671574	HSJZTADZJSMHHX-UHFFFAOYSA-N	311.436	1.676	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1ccc(C(N)=O)s1	798311908	KKSLWGYCVIVNTQ-UHFFFAOYSA-N	318.358	1.622	50	20	DDGD	
COc1ccc(C(=O)NNc2ccccc2F)cc1OCCO	798334768	QOLOKZWHJUVVSZ-UHFFFAOYSA-N	320.320	1.962	50	20	DDGD	
CCC[C@]1(NCC(=O)NNC(=O)c2cccs2)CCOC1	796442453	GITLWOAVTDVIPO-AWEZNQCLSA-N	311.407	1.058	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cnc(C(F)(F)F)cc1OC	792512319	VLUPKAGQSPYNQN-UHFFFAOYSA-N	322.243	1.892	50	20	DDGD	
Cc1nc(CSCC(=O)NNC(=O)NC(C)C)cs1	1318048363	KEMORISVJUGUHM-UHFFFAOYSA-N	302.425	1.424	50	20	DDGD	
COc1nc(Cl)c(C=NNC(=O)Cc2ccc(F)cc2)n1C	1324253547	HEXFUNXTBFQJCN-UHFFFAOYSA-N	324.743	1.914	50	20	DDGD	
CCCCOC(=O)c1ccc(NC(=O)NNC(=O)CCO)cc1	1325495131	TYYWRLPJPPKNHA-UHFFFAOYSA-N	323.349	1.179	50	20	DDGD	
Cc1ncc(C(=O)NNc2nncc(N)c2Cl)c(C2CC2)n1	1326996736	LOGKBASQVBZSEK-UHFFFAOYSA-N	319.756	1.445	50	20	DDGD	
CC(=NNC(=O)c1n[nH]c2c1CCCC2)c1cc(O)ccc1O	1322096197	QHTMAILUNKWPHY-UHFFFAOYSA-N	314.345	1.854	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2cnc(C3CC3)[nH]2)c1	1320613650	QNHBQQVHCCDOHV-UHFFFAOYSA-N	302.725	1.964	50	20	DDGD	
COC(=O)c1cc(C(=O)NNC(=O)c2ccccc2Cl)c[nH]1	1326193120	MJGGAKRZFDCYBG-UHFFFAOYSA-N	321.720	1.530	50	20	DDGD	
COc1cccc(C=NNC(=O)CCN2CCC(C)CC2)n1	1326242692	VYLFPIYOTOVZPI-UHFFFAOYSA-N	304.394	1.662	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1CCCN(c2ccc(C)cc2)C1	1336456897	FZYGFTOCDXKOQF-ZDUSSCGKSA-N	320.393	1.876	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2cn(C(C)(C)C)nn2)cc1O	1330892285	ZHFJHYAXIXWCLC-UHFFFAOYSA-N	301.350	1.811	50	20	DDGD	
O=C(NNC(=O)N(CC(F)F)C1CCC1)c1cccc(F)n1	1333642263	HNTUDNLRDXTXBB-UHFFFAOYSA-N	316.283	1.695	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC2(SC)CC2)cc1	1339474244	GXYFGBYNHTXKTI-UHFFFAOYSA-N	309.391	1.535	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O	1330270323	AGRRSPFENVBPSR-ZYHUDNBSSA-N	320.349	1.093	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@@H]2CCCSC2)cc1	1261105198	JEXQUGIJXQAORR-NSHDSACASA-N	323.418	1.782	50	20	DDGD	
Cc1cc(F)c(CC(=O)NNC(=S)NC(C)C)cc1F	1261253005	KFUKLTDAFYRMLK-UHFFFAOYSA-N	301.362	1.719	50	20	DDGD	
O=C(NCc1ncc2c(n1)CCOC2)C1CCC(Cl)CC1	1352325439	PSQRHGBSRGLIKL-UHFFFAOYSA-N	309.797	1.963	50	20	DDGD	
Cc1nnnn1-c1ccc(C(=O)N2CC=C(C#N)CC2)c(F)c1	1433882978	VVMYMESAVYGNKI-UHFFFAOYSA-N	312.308	1.406	50	20	DDGD	
CC(C)N1CCC[C@H](C(=O)NNc2ccc(CC(=O)O)cc2)C1	1603893648	OYKOPMCHCWQMOW-AWEZNQCLSA-N	319.405	1.877	50	20	DDGD	
O=C(C[C@@H]1CCC(F)(F)C1)NNc1ccc(-c2nn[nH]n2)cn1	1606497180	UMSOYWHDXJORMH-QMMMGPOBSA-N	323.307	1.530	50	20	DDGD	
O=C(NNc1cccc(F)c1C(=O)O)c1nccnc1Cl	1608482829	NCWQYOVGWIIEBF-UHFFFAOYSA-N	310.672	1.724	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2CCn3ccnc3C2)cc1F	1608904350	QXSCLOSVRBVLBE-VIFPVBQESA-N	318.308	1.426	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)[C@H]1CCn2cncc2C1	1602471126	CWWZWMSKDXWGTQ-JTQLQIEISA-N	300.318	1.287	50	20	DDGD	
CCCn1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)nn1	1609987731	KYIDXCFBFBAAHI-UHFFFAOYSA-N	320.261	1.514	50	20	DDGD	
CC(C)(C)[C@@H](C(=O)O)C(=O)NNc1ccc([N+](=O)[O-])cc1F	1602853272	PTBWUKREWLETKZ-SNVBAGLBSA-N	313.285	1.924	50	20	DDGD	
Cc1cc(NC(=O)NNc2ccc(CC(=O)O)cc2)nn1C	1600270431	BPUIOHLIFLFYQQ-UHFFFAOYSA-N	303.322	1.504	50	20	DDGD	
Cc1ccn(CC(=O)NNc2ccc(C)c(C(=O)O)c2)c(=O)c1	1600595724	VNSOGOKMKRVOHL-UHFFFAOYSA-N	315.329	1.307	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccnc(-n3cccn3)c2)nc1	1610835659	DLEZHLUDIHHLFE-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C12CC(C(=O)O)(C1)C2	1610478260	FJQAGDDYNGVSQT-UHFFFAOYSA-N	305.290	1.601	50	20	DDGD	
Cc1c(F)ccc(C(=O)NNc2ncccc2C(=O)O)c1N	1574304074	KRXKNXHOBODOKQ-UHFFFAOYSA-N	304.281	1.566	50	20	DDGD	
Cc1nc(C2CCNCC2)sc1C(=O)NNC(=O)C1CC1	1579853570	YEHXKDFRFRUXRP-UHFFFAOYSA-N	308.407	1.090	50	20	DDGD	
CN[C@@H](CC(C)C)C(=O)NNC(=O)CCc1ccc(OC)cc1	1578754589	UIQMXHQOUWZVNA-HNNXBMFYSA-N	321.421	1.409	50	20	DDGD	
CO[C@@H](CN)C(=O)NNc1ccc(Cl)cc1Br	1579111031	DMCVVBXSDQWHDD-VIFPVBQESA-N	322.590	1.519	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@]2(C)CCNC2)c1C	1574165387	GOULSCNUJKIVPX-SUMWQHHRSA-N	319.405	1.218	50	20	DDGD	
CCCCCCCC[C@@H](N)C(=O)NNC(=O)c1cnsn1	1577430178	SJFXZVNIVPYPND-SNVBAGLBSA-N	313.427	1.377	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2CCC=CO2)o1	1589774281	WNMZGTQMSCUVLS-QMMMGPOBSA-N	319.325	1.114	50	20	DDGD	
CCC1(C(=O)N2CC3(CCCN3C(=O)[C@H](F)Cl)C2)COC1	1843365978	UZDZDHHPJIRDQV-JTQLQIEISA-N	318.776	1.151	50	20	DDGD	
C/C=C/C(=O)N1CCCC12CN(C(=O)CCBr)C2	1845961909	HSKXUTBLVHZEEV-DUXPYHPUSA-N	315.211	1.551	50	20	DDGD	
CCOCCC(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843367314	UFTUBKXIWOXLTD-LLVKDONJSA-N	306.765	1.151	50	20	DDGD	
C[C@]1(C(=O)NNc2ccc(C(=O)O)cn2)C[C@@H]1Br	1593755169	MKVRHIQJVSZGNH-CPCISQLKSA-N	314.139	1.396	50	20	DDGD	
COC[C@]1(C(=O)NNc2cccc(F)c2C(=O)O)CCOC1	1599187338	WVAYVINDGDSXMZ-CQSZACIVSA-N	312.297	1.020	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2cccc(C(=O)O)c2)c1	1594425316	XCIBHSLCGYZJGO-UHFFFAOYSA-N	314.301	1.170	50	20	DDGD	
C[C@H]1CCn2cc(C(=O)NNc3ccccc3C(=O)O)nc2C1	1594452188	MAOGEYDDDSAMFV-JTQLQIEISA-N	314.345	1.921	50	20	DDGD	
Cc1cnc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c(O)c1	1592290352	ODKPNUCWRRMXLC-UHFFFAOYSA-N	311.305	1.033	50	20	DDGD	
COC(=O)CCC[C@@H]1CCCC(=NNC(=O)NCC(=O)O)C1	1598850787	HPTRJCXMEGHODM-JTQLQIEISA-N	313.354	1.260	50	20	DDGD	
C[C@@]1(COC(=O)Cn2ccc(C(=O)O)n2)C[C@@H]1Br	1594036529	IBGZUHLXDCYPEA-KWQFWETISA-N	317.139	1.298	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@@](C)(C(=O)O)c1ccccc1	1591765246	QSQBONOUQMDCFB-YBHKSSGVSA-N	302.330	1.589	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC1)[C@H](O)CCl	1795395527	URHWDIOPYPCBNP-YVECIDJPSA-N	314.813	1.024	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2OCCc3ccccc32)n1	161770660	GYWDJHBWZKYMOX-AWEZNQCLSA-N	314.345	1.551	50	20	DDGD	
COC(=O)NNC(=O)c1cc(-c2ccccc2)c(C)[nH]c1=O	158793950	GZFKDAZYKBMYII-UHFFFAOYSA-N	301.302	1.351	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(CC2CC2)C1	160698691	BQDXDGAZTBNBQC-CYBMUJFWSA-N	319.365	1.705	50	20	DDGD	
Cc1ccc2c(c1)[C@H](NC(=O)NNC(=O)c1ccc(C)o1)CO2	151699970	IXPNMLXUWRJUAK-GFCCVEGCSA-N	315.329	1.974	50	20	DDGD	
Cc1c(CNS(=O)(=O)c2ccc(CCl)cc2)cnn1C	383729672	FWMUEFGNTYFBBJ-UHFFFAOYSA-N	313.810	1.946	50	20	DDGD	
Cc1ccc(C)c(S(=O)(=O)NNC(=O)c2ccccn2)c1	7386057	JWYUFOBHSULZNC-UHFFFAOYSA-N	305.359	1.322	50	20	DDGD	
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NNC(=O)C(C)(C)C	77708806	RTILFOXTORBJDW-UHFFFAOYSA-N	315.351	1.259	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccnc1	27764059	DKAJHYGSOZKDPP-UHFFFAOYSA-N	320.692	1.718	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1ccc(Br)cc1	106416954	UZZAROBJJXTZPH-UHFFFAOYSA-N	323.150	1.176	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2ccc(C)n2C)cc1	55707758	OOVFHUQNDFRHMV-UHFFFAOYSA-N	315.373	1.736	50	20	DDGD	
CCCNC(=O)[C@H]1CCCN(C(=O)NNC(=O)C(C)(C)C)C1	109150544	TTZACMTVSLPXBM-NSHDSACASA-N	312.414	1.012	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2c[nH]nc2C)c1	109859002	NIPMSJZZKBHHAM-NSHDSACASA-N	302.334	1.255	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])o1	25162465	ITNVHFHRDYMYBN-UHFFFAOYSA-N	314.257	1.744	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2cc(C(N)=O)ccc2F)n1	179778561	NBWIORJBAXKYGZ-UHFFFAOYSA-N	318.312	1.480	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)cc1	68410955	JZBNDZLFWWPARE-LSDHHAIUSA-N	312.373	1.547	50	20	DDGD	
CCOc1ccc(CCC(=O)NNC(=O)NCCCOC)cc1	65204590	GTNNADIKTCNBGU-UHFFFAOYSA-N	323.393	1.385	50	20	DDGD	
CCN(CC(=O)NNC(=O)C1CC1)[C@@H](C)c1ccc(C#N)cc1	112977124	ZYTKOXNGQAZNQY-LBPRGKRZSA-N	314.389	1.499	50	20	DDGD	
CSCc1ccc(C(=O)NNc2nnc(C)c(O)n2)cc1	29066694	HUTYFVBQXZGAMK-UHFFFAOYSA-N	305.363	1.506	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)N[C@H]1CCOC1	178752736	AUHRIPQHGDDCJY-NSHDSACASA-N	312.757	1.142	50	20	DDGD	
CS(=O)(=O)CCCC(=O)NNc1ccccc1C(F)(F)F	171806099	JLSVUCCVSQZEEO-UHFFFAOYSA-N	324.324	1.973	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CC[C@@H]1CC[C@@H](C)O1	175651978	RGHMHKHGKCOTKG-OCCSQVGLSA-N	320.389	1.733	50	20	DDGD	
Cc1ccn(C)c(=O)c1NC(=O)NNC(=O)CC1CCCC1	186499188	WDIKYUVTPWIYFL-UHFFFAOYSA-N	306.366	1.427	50	20	DDGD	
CC1CCC(N2C[C@@H](C(=O)NNc3cnccn3)CC2=O)CC1	114881769	IIMLJQNYEXTFTO-CPCZMJQVSA-N	317.393	1.347	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2cc(F)c(F)c(F)c2)CC1	178547923	ZCYNLDSSYWRISF-UHFFFAOYSA-N	302.252	1.890	50	20	DDGD	
CCC(=O)N1CCC[C@H](C(=O)NNc2cccc([N+](=O)[O-])c2)C1	178857549	XYTUHAYYKAKGIE-NSHDSACASA-N	320.349	1.687	50	20	DDGD	
O=C(Cc1ccc([N+](=O)[O-])cc1)NNC(=O)NC1CCCC1	65920957	XHMYPINMEVGQHC-UHFFFAOYSA-N	306.322	1.410	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCOCc1ccccc1	122432643	AFRUKNNOIINMQU-UHFFFAOYSA-N	301.346	1.393	50	20	DDGD	
CN(NC(=O)CCc1ncc(-c2ccccc2F)o1)C(N)=O	181057894	IRWOITKSUBKGRT-UHFFFAOYSA-N	306.297	1.455	50	20	DDGD	
CCN(CC)CCNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	72205742	FDNWBCATEKNZHL-DHDCSXOGSA-N	313.405	1.570	50	20	DDGD	
COc1cccc(NNC(=O)Cn2c(C)nc3ccccc32)n1	180707104	QOQKTEHYVHUHCK-UHFFFAOYSA-N	311.345	1.892	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)c1ccccc1O	127647415	HAKBAFFEYBXVAU-UHFFFAOYSA-N	309.325	1.808	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1F)N(C)C	122409844	QPJRVXRZPBMTLM-LLVKDONJSA-N	301.749	1.580	50	20	DDGD	
N#Cc1c(F)cccc1C(=O)NNC(=O)NCC(F)(F)F	189033156	CRNLOFOKEROLDK-UHFFFAOYSA-N	304.203	1.204	50	20	DDGD	
Cc1cc([C@H](C)NC(=O)NNC(=O)[C@@H]2CCCO2)c(C)s1	79336157	PSWJWRVCODOOOV-CABZTGNLSA-N	311.407	1.935	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2F)cc(O)n1	134044697	LNBRZTIPPRDXEP-UHFFFAOYSA-N	323.711	1.963	50	20	DDGD	
CC[C@@H](COC)NC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	133398753	BLYKJDMNQLQVKH-XMRSSTEGSA-N	300.362	1.653	50	20	DDGD	
Cc1noc(C)c1CCC(=O)NNC(=O)NC1CCCCC1	193940332	AUFDVJCBDBWOPT-UHFFFAOYSA-N	308.382	1.887	50	20	DDGD	
O=C(NNC(=O)c1ccc(-c2ccco2)[nH]c1=O)c1ccncc1	194784335	ZRKQYPRCFZNWQM-UHFFFAOYSA-N	324.296	1.105	50	20	DDGD	
O=C(COc1ccc(F)cc1F)NNc1nc2ccccn2n1	191883769	ZDCGQVGDBVYQFU-UHFFFAOYSA-N	319.271	1.530	50	20	DDGD	
COCCSCC(=O)NNC(=O)c1ccc(Cl)cc1	46119751	XFSKFTKUGZAQFB-UHFFFAOYSA-N	302.783	1.481	50	20	DDGD	
CN1CCC[C@@H]2CN(S(=O)(=O)CCCCCl)CC[C@H]21	227353935	JICKWZAUTDSNJE-CHWSQXEVSA-N	308.875	1.751	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)NC2CCCC2)c1	42297656	MWLLYZFKMDWJJG-UHFFFAOYSA-N	305.378	1.955	50	20	DDGD	
O=S(=O)(CCCCl)N1CCC[C@](O)(C(F)(F)F)CC1	382391063	RZFLTTHUVANLTC-SECBINFHSA-N	323.764	1.724	50	20	DDGD	
Cc1nc(C(C)(C)C)sc1C(=O)NNC(=O)c1cnn(C)c1	265368362	ZASAJVRLWFCGKN-UHFFFAOYSA-N	321.406	1.557	50	20	DDGD	
CCN(C)C(=O)c1cccc(C(=O)NNC(=O)C2CCC2)c1	264798811	TYYRHQMNBJRHDS-UHFFFAOYSA-N	303.362	1.340	50	20	DDGD	
CC(C)(C(=O)NNc1cccc(C(F)(F)F)c1)S(C)(=O)=O	269614963	NUECOULMFWYSHO-UHFFFAOYSA-N	324.324	1.972	50	20	DDGD	
CC(C)N1C[C@H](NC(=O)NNc2c(F)cccc2F)CC1=O	267555270	DXOFZTNATYLKNQ-SECBINFHSA-N	312.320	1.600	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cccn(C)c1=O	265839174	ZUKUMJQRASUTTF-UHFFFAOYSA-N	308.769	1.690	50	20	DDGD	
CCC[C@@H]1C[C@H]1NC(=O)NNC(=O)Cc1ccccc1OC	267782533	SZODLMUIGZNPDL-DGCLKSJQSA-N	305.378	1.757	50	20	DDGD	
C[C@H]1C(=O)Nc2cc(C(=O)NNC(=O)C3CCC3)ccc2N1C	267402930	OQHWUBICQZTOKL-VIFPVBQESA-N	316.361	1.025	50	20	DDGD	
O=C(CCCCN1CCOCC1)NNC(=O)c1ccccc1F	263959570	ZONMMBBLCGGLPI-UHFFFAOYSA-N	323.368	1.089	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)CN1CCSC1=O	263931979	ZGAVLCSHPTWHMK-UHFFFAOYSA-N	321.402	1.326	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc3c(c2)N(C)CCO3)n1	365419553	AYEUPTUZAYCEJG-UHFFFAOYSA-N	313.361	1.679	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNC(=O)Cc1ccncc1	276946910	UWROCKLGGCRLBP-UHFFFAOYSA-N	314.345	1.187	50	20	DDGD	
O=S(=O)(CBr)NCC[C@H](O)c1ccccc1	272851050	VOSYMPWBCOVJHW-JTQLQIEISA-N	308.197	1.382	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NO[C@H]1CCCCO1	275087592	HDGDUTFRRVFRNA-AWEZNQCLSA-N	323.349	1.026	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CCCc1ccccc1	276622797	UXDSDWGURIEOAJ-UHFFFAOYSA-N	322.405	1.946	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H]1CCCN1C(=O)NC(C)C	276758127	QVLNWPXJMIRKDC-LBPRGKRZSA-N	305.382	1.416	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C2(C)COC(C)(C)OC2)n1	272117566	OZGVMVDJCFPILP-UHFFFAOYSA-N	310.354	1.026	50	20	DDGD	
Cn1cc2c(n1)CCC[C@@H]2C(=O)NNC(=O)CC1CCCC1	369866142	XSIWJZHFDGYFFX-LBPRGKRZSA-N	304.394	1.568	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1nc(-c2ccccc2)oc1C	272631781	BLPMYWJSKMQXDC-UHFFFAOYSA-N	302.334	1.956	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc(C(=O)NC2CC2)c1	274441250	SDFHUGYLGVSLSM-UHFFFAOYSA-N	319.365	1.277	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCc1cc(C(N)=O)no1	274396945	PKVUOZAFIAYZBU-MRVPVSSYSA-N	318.171	1.199	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NNC(=O)c1ccccn1	272994353	NLHKTXWRXKZWRM-VIFPVBQESA-N	314.183	1.652	50	20	DDGD	
C=C(CBr)CN1CCN(c2nc(N)ns2)CC1	279676129	GDCOWFXKVPFICQ-UHFFFAOYSA-N	318.244	1.193	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@H](C)[C@@H]2CCOC2)cc(C#N)n1C	271007711	MKCMBVWUHSGIAW-OTRHNRGMSA-N	312.373	1.653	50	20	DDGD	
COCCOc1ccc(C(=O)NNC(=O)C2CC2)c(Cl)c1	274448749	ICMUIXYJVNLZEY-UHFFFAOYSA-N	312.753	1.536	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)OC(C)(C)C)cc1O	274591881	HZSZYIMVMFOOGY-SOFGYWHQSA-N	308.334	1.970	50	20	DDGD	
COc1ccnc(NNC(=O)[C@](C)(O)CCc2ccccc2)n1	282795665	MMGQLUWIHJEEON-MRXNPFEDSA-N	316.361	1.312	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)C[C@@H]2CCC(=O)[C@H]2C)n1	281605456	YQIVNBGFJNFROA-RYUDHWBXSA-N	319.409	1.771	50	20	DDGD	
Cc1cc(F)cc(C)c1S(=O)(=O)NNC(=O)CC(C)C	281884090	CXZVRBZFKUBKGD-UHFFFAOYSA-N	302.371	1.798	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1ccc(Cl)nn1	286872120	DHZUXLHXVBSMOZ-UHFFFAOYSA-N	304.741	1.944	50	20	DDGD	
O=C(NNc1cnccn1)[C@@H]1CCN(c2ccccc2Cl)C1	377892489	HKLCUWOAMBCFFH-LLVKDONJSA-N	317.780	2.100	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)cc1	282638100	KEWLINQBDWYLPG-YWPYICTPSA-N	306.362	1.335	50	20	DDGD	
O=C(NNc1ncccc1F)Nc1cccnc1-n1cncn1	376819852	QDYQKXDBAKJGSR-UHFFFAOYSA-N	314.284	1.345	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CC23CCOCC3)cc1	374843438	QZOHRPWISBUDMA-ZDUSSCGKSA-N	319.361	1.665	50	20	DDGD	
CC(C)(C)C(=O)NCCC(=O)NNc1nccnc1C1CCC1	287219289	OLHMUCOPXGRFGB-UHFFFAOYSA-N	319.409	1.740	50	20	DDGD	
Cc1noc(CCC(=O)NNc2ccc([N+](=O)[O-])cc2C)n1	288758647	QSTYAMZWKPJARE-UHFFFAOYSA-N	305.294	1.671	50	20	DDGD	
COc1ccnc(NNC(=O)CNC(=O)CC2CCCCC2)n1	299493085	IWJPFIIEBSRYBS-UHFFFAOYSA-N	321.381	1.015	50	20	DDGD	
Cc1nc2cc(NC(=O)NNC(=O)[C@@H]3CC[C@H](C)O3)ccc2o1	292657864	KSOJZGZOJMRVAB-SDBXPKJASA-N	318.333	1.856	50	20	DDGD	
CC[C@@H](C)c1ccc(C(=O)NNC(=O)N2CCN(C)CC2)cc1	807382086	WTPFVQLUVGECFB-CYBMUJFWSA-N	318.421	1.802	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CCc1c(C)n[nH]c1C	298650478	XQIYCRPKNFYOGQ-UHFFFAOYSA-N	300.362	1.729	50	20	DDGD	
Cc1nc2ccc(NC(=O)NNC(=O)c3ccc(C)o3)cn2n1	809898130	SLJJGFBJDZUTLI-UHFFFAOYSA-N	314.305	1.406	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1cccc2[nH]ccc12	296532167	RUXFPSCPJMVSIE-CYBMUJFWSA-N	302.334	1.890	50	20	DDGD	
CCO[C@H](CC(=O)NNc1ccc(-n2ccnc2)nn1)C(C)C	804958424	WGZBMAPLTNCUEO-GFCCVEGCSA-N	318.381	1.557	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccccc1S[C@@H](C)C(N)=O	801082546	ZNFAEUCYMIOYLY-VIFPVBQESA-N	309.391	1.070	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cnc(C(C)(C)C)nc1	808378750	XFUIMEBTVNBBSO-UHFFFAOYSA-N	309.439	1.682	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCCN1CCCOCC1	297312074	LIGORLJOTPDEHF-UHFFFAOYSA-N	320.437	1.906	50	20	DDGD	
CC(=O)NNC(=O)CSCC(=O)c1ccc(Cl)cc1	294210526	IUDSYZRDECQHKY-UHFFFAOYSA-N	300.767	1.423	50	20	DDGD	
N#Cc1ccc(NNC(=O)C[C@@H]2CCCC(=O)N2)cc1Cl	290348736	FYLWXJQPHVFJNO-JTQLQIEISA-N	306.753	1.714	50	20	DDGD	
CC(C)(O)C(=O)NN=C1CCc2ccc(Br)cc21	800816630	OULWCHAJCTZYEU-UHFFFAOYSA-N	311.179	1.987	50	20	DDGD	
CCNC(=O)N(C)N=Cc1c(C)nn(-c2ccccn2)c1C	802712109	GDQWKFQRGYIDNF-UHFFFAOYSA-N	300.366	1.879	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1cc(Cl)cc(C)c1O	807956693	AZRQWGUWFZWHMD-UHFFFAOYSA-N	323.780	1.817	50	20	DDGD	
O=C(CCCC1CCOCC1)NNC(=O)N=c1cc[nH]cc1	802024025	DWHIMLNAQDKXIK-UHFFFAOYSA-N	306.366	1.253	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)CBr)Cc2ccccc2O1	291602270	AABNQYXPSWZEGV-VIFPVBQESA-N	320.208	1.952	50	20	DDGD	
O=C(NNC(=O)c1cnn(-c2ccccc2)n1)Nc1ccccc1	801986351	JCBSASYDJMOFQN-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2cnc3[nH]c(O)nc3c2)c1	809718706	OADLHIMJULDMEC-UHFFFAOYSA-N	301.281	1.868	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CCCCCC#N	805169169	YGVGQCQPIIQQKQ-UHFFFAOYSA-N	303.362	1.859	50	20	DDGD	
O=C(CCCC1CC1)NNc1nccc(N2CCOCC2)n1	812532719	DWRDKBKKBIJRMI-UHFFFAOYSA-N	305.382	1.337	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H]2CCCSC2)c1O	810191202	RWNLZUHWNBPAOQ-SECBINFHSA-N	310.375	1.305	50	20	DDGD	
C[C@H](Oc1cccc2ccccc12)C(=O)NNc1cnnn1C	816772275	SXUWBELCADSNBF-NSHDSACASA-N	311.345	1.879	50	20	DDGD	
COCCn1cc(C=NNC(=O)Nc2cc(F)cc(F)c2)cn1	815007124	OWTZUNNPNJLFFJ-UHFFFAOYSA-N	323.303	1.963	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NN=Cc2cnn(C)c2N)c1	814719961	BJJBYNGGIUHFLS-UHFFFAOYSA-N	301.350	1.148	50	20	DDGD	
CC(C)[C@@]1(CO)CCCN(S(=O)(=O)CBr)C1	815094457	BULMFVSGAURLAD-JTQLQIEISA-N	314.245	1.399	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=Cc1ccc2[nH]ccc2c1	811644791	KYQQJQRWNZTDFU-UHFFFAOYSA-N	321.340	1.443	50	20	DDGD	
COc1ccccc1CN(CC(=O)NNC(=O)C(C)(C)C)OC	810109806	LKDWJJBVLCHABE-UHFFFAOYSA-N	323.393	1.252	50	20	DDGD	
O=C(NCC[C@]1(O)C[C@H]2CC[C@H]1C2)NNc1ncccc1F	814347087	UWBPVQRBSLTCFB-PGUXBMHVSA-N	308.357	1.788	50	20	DDGD	
CO[C@H]1CCC[C@H](C(=O)NNC(=O)COCc2ccccc2)C1	814411159	MTINSNLOFTUACJ-GJZGRUSLSA-N	320.389	1.556	50	20	DDGD	
O=C(CCNc1ccccc1[N+](=O)[O-])NNc1ncncc1F	817078613	MNZUYSXVBRCZIY-UHFFFAOYSA-N	320.284	1.469	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](C)NC(=O)c2ccoc2)cc1	729273752	CHCQTRFNLXDKQQ-JTQLQIEISA-N	303.318	1.550	50	20	DDGD	
CN(C)c1cc(C#N)cc(C(=O)NNC(=S)NC(C)(C)C)c1	814405005	QMKMIGKRJZBCEW-UHFFFAOYSA-N	319.434	1.532	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](CC)C(=O)O)cc1	818239993	FGYVUIHBRSAMNM-BRADTZPFSA-N	302.330	1.972	50	20	DDGD	
COCC1(C(=O)NNC(=O)Cc2ccccc2C)CCOCC1	810564655	IGGJMWQMQLBISL-UHFFFAOYSA-N	320.389	1.128	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCc1cccc(OC(F)F)c1	823913211	QEUCIVQHRRURND-SNVBAGLBSA-N	302.321	1.564	50	20	DDGD	
C[C@@H]1CO[C@H](CO)CN1C(=O)/C(C#N)=C/c1ccc(F)cc1	490841972	JZTHSPVTFSDIBG-RSKNOSGTSA-N	304.321	1.341	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(N2CCC(C)CC2)nc1	727102463	BKBGXMRAZFFVCU-UHFFFAOYSA-N	319.409	1.672	50	20	DDGD	
Cc1nc(C)c(S(=O)(=O)NN(C)C(=O)OC(C)(C)C)s1	495889396	HYHNPGDLZANENS-UHFFFAOYSA-N	321.424	1.820	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)c1	822223183	KDWQMOBVZAJBQI-SLEUVZQESA-N	301.390	1.950	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2cncnc2N)cc1	490782916	MHVVUBMVTGWASU-QPEQYQDCSA-N	323.356	1.681	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	826446360	ITSVERKSAKYOLV-GOCOPAARSA-N	310.361	1.602	50	20	DDGD	
Cc1cc(S(N)(=O)=O)cc(NC(=O)NN(C)C2CC2)c1C	824193615	GMZIZZLGUULARJ-UHFFFAOYSA-N	312.395	1.082	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(Oc2ccccc2F)nc1	823908051	SQGZLEHDHNCJGJ-NSHDSACASA-N	319.336	1.970	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@H]1CCc2ccc(O)cc21	822672003	OQURPIKHLRUUKQ-KBPBESRZSA-N	319.361	1.279	50	20	DDGD	
C[S@@](=O)C1(CNC(=O)NNC(=O)OC(C)(C)C)CCC1	496865375	NUUOCPJPFKOOFJ-HXUWFJFHSA-N	305.400	1.027	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C)ncn1	492846769	QIDVGUGTIGBUGI-JTQLQIEISA-N	323.397	1.731	50	20	DDGD	
CCn1cc(C=NNC(=O)[C@@H](C)CN2CCC(C)CC2)nn1	901153898	KNLLGWWFQLBANX-ZDUSSCGKSA-N	306.414	1.116	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCCNc1cnccn1	490979773	YZYXZDDNGDUCBZ-LCYFTJDESA-N	309.329	1.317	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C1=C(c2ccccc2)SCCO1	821783017	AWPCNFWCUBUPCO-UHFFFAOYSA-N	321.402	1.811	50	20	DDGD	
COCC[C@H](NC(=O)[C@H](Br)C(C)(C)C)C(=O)O	909626377	SVMPAPCTYYNTTE-YUMQZZPRSA-N	310.188	1.402	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1cnn(Cc2ccccc2)c1	588616020	NBHACUICAQIZGP-NVNXTCNLSA-N	316.386	1.687	50	20	DDGD	
COc1cc(C)c(C(C)=NNC(=O)c2cnccn2)cc1OC	731313804	MAGCARSCMJSBHA-UHFFFAOYSA-N	314.345	1.956	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1ccc(N(C)CC)nc1	491012935	SLORMTJRJVBKHN-RVDMUPIBSA-N	316.405	1.987	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C	493708520	DKXXCENVVKGOSR-SNVBAGLBSA-N	315.414	1.729	50	20	DDGD	
Cc1noc(C2CN(C(=O)[C@@]3(C)C[C@@H]3Br)C2)n1	907760774	WUNKJYJUCYSNNB-KWQFWETISA-N	300.156	1.477	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)N[C@H]1CC12CCCCC2	836382268	KZVDJBQKAZGULP-LBPRGKRZSA-N	303.366	1.562	50	20	DDGD	
COc1nccc(C=NNC(=O)[C@H](C)CN2CCCCCC2)n1	834935589	UAZNADFVMKMKSC-CYBMUJFWSA-N	319.409	1.447	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCc2nnc(O)cc2C1	490911181	UHOIHRIJWSZDCF-GHXNOFRVSA-N	324.315	1.813	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cccc(F)c1Br	495619538	PCSQPWJSECAIFH-UHFFFAOYSA-N	305.103	1.931	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCO[C@@H](c3ccccc3)C2)cn1	491160538	LMXKBAGNQLYJEW-JDZKTDJGSA-N	322.368	1.927	50	20	DDGD	
O=C(CCc1ncc(-c2ccccc2)o1)N1CC[C@@H](B(O)O)C1	585069820	PRVVXADJLMZNRX-CYBMUJFWSA-N	314.150	1.350	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCC[C@H](N2CCCCC2=O)C1	732826827	IIMYDFHKDNEVLL-LBPRGKRZSA-N	324.425	1.250	50	20	DDGD	
COc1ncc(C(=O)NNC(=O)c2cccc(Cl)c2)cn1	733910520	HHOYIXXHLZWUNN-UHFFFAOYSA-N	306.709	1.213	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CC2(CCC2)[C@@H]1c1ccccc1	584993588	XPUGLJYWKGGNDK-KRWDZBQOSA-N	321.185	1.734	50	20	DDGD	
COc1cccc(C)c1C=NNC(=O)[C@@H](C)CN1CCOCC1	834934633	WZYRGXIMWNPVBU-AWEZNQCLSA-N	319.405	1.422	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)[C@H]2CCCCO2)c(F)c1	905476456	IHYZDUKLJAGADT-CYBMUJFWSA-N	308.309	1.632	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=CCCc2cnoc2)n1	834919861	HAGHGNIBDRVPMH-UHFFFAOYSA-N	319.390	1.908	50	20	DDGD	
CCCCCCNC(=O)[C@H]1CCCN(S(=O)(=O)CCl)C1	830312570	CPZMHRGSMQYOLB-LBPRGKRZSA-N	324.874	1.921	50	20	DDGD	
CC[C@@H]1C[C@H](C)CN1CC(=O)NNC(=O)c1ccc(F)cc1	839506360	YQGATDDIKOOYGX-SMDDNHRTSA-N	307.369	1.707	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)c2c[nH]nc2C)c(C(C)C)n1	734128729	PPKKJRCBOOUQNI-UHFFFAOYSA-N	302.338	1.015	50	20	DDGD	
C[C@]1(C(=O)NCc2ccc(C(N)=O)o2)C[C@@H]1Br	906888335	DJZOFGGQNVWSKI-KWQFWETISA-N	301.140	1.168	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)OCC(F)(F)F)nc1	901264441	DEEMZHNAZHZIOA-UHFFFAOYSA-N	305.212	1.491	50	20	DDGD	
CCCN1CCC[C@@H](C(=O)NNC(=O)NCC(F)(F)F)C1	907966474	BIYZHAAEXZWZGX-SECBINFHSA-N	310.320	1.001	50	20	DDGD	
CC(C)(C)c1ncc(NC(=O)NNC(=O)[C@H]2CCCCO2)cn1	836340041	KNZGUAABAQHFIS-LLVKDONJSA-N	321.381	1.496	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COCC2CCCC2)c(O)c1	839550272	HYNZVSLLPNLCIO-UHFFFAOYSA-N	306.362	1.668	50	20	DDGD	
CC1CCC(N2CCC(NCc3ccc(B(O)O)o3)CC2)CC1	585021401	KDIRJCXSUSDTIW-UHFFFAOYSA-N	320.242	1.092	50	20	DDGD	
CC(C)[C@H](NC(=O)O)C(=O)NNc1cc(C#N)cc(Cl)n1	833467135	CVZMNYVCYPZIEQ-JTQLQIEISA-N	311.729	1.342	50	20	DDGD	
CC(C)(CCC(=O)NNC(=O)C1CC1)NC(=O)OC(C)(C)C	737765819	ALXYAPDEPSGIEJ-UHFFFAOYSA-N	313.398	1.627	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc(F)cc([N+](=O)[O-])c1	731501052	NGZALJHFDQDGCP-UHFFFAOYSA-N	314.342	1.641	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1csc2cncn12	735840851	OYFIGGRLNWJCDA-UHFFFAOYSA-N	318.333	1.539	50	20	DDGD	
CN(C(=O)c1cccc(B(O)O)c1)[C@@H]1CCC[C@H]1C(C)(C)C	585001398	XGLGVKFQRLVLPN-HUUCEWRRSA-N	303.211	1.653	50	20	DDGD	
COc1ccc(NCC(=O)NN=C(C)c2cn(C)nc2C)cc1	917534725	XKAJKZSPPHKEOO-UHFFFAOYSA-N	315.377	1.689	50	20	DDGD	
CO[C@H](C=NNC(=O)c1ccc2c(c1)OCO2)C1CCOCC1	834918502	WJHBYLBTHYLZRI-OAHLLOKOSA-N	320.345	1.573	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)C(=O)NNc1cccc([N+](=O)[O-])c1	837489664	YYMBBPKDRLQEOG-JTQLQIEISA-N	303.322	1.650	50	20	DDGD	
COc1nccc(C=NNC(=O)[C@@H](C)CN2CCCCCC2)n1	834935593	UAZNADFVMKMKSC-ZDUSSCGKSA-N	319.409	1.447	50	20	DDGD	
O=S(=O)(CCl)NC[C@H](O)c1ccc(C(F)(F)F)cc1	831539858	ZGONVAFDKFPUNH-VIFPVBQESA-N	317.716	1.855	50	20	DDGD	
COc1cc(C=NNC(=O)CNc2ccccc2)cc(O)c1O	915918983	SVXLZZIKVMTVEL-UHFFFAOYSA-N	315.329	1.669	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2ccc(F)c(C(N)=O)c2)n1	916377043	YXIUDNXNSALREA-UHFFFAOYSA-N	318.312	1.480	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2CC23CCOCC3)ccc1F	837038681	WKVPFMOHPMFDEF-LBPRGKRZSA-N	322.336	1.872	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CN[C@H](c1ccccc1)C(F)(F)F	910163912	SVKJSLQOECKEEO-ZWNOBZJWSA-N	319.327	1.223	50	20	DDGD	
NC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccccc1F	841953337	OCMJIWMALJUXLF-GXFFZTMASA-N	308.357	1.287	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cc(Cl)ccc1O	748260407	SJCMJAGUTIHWLI-VIFPVBQESA-N	300.742	1.547	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@@H](Oc1ccccc1)C(=O)OC	918144694	QPAJMPXDFKCINE-XMXAVACDSA-N	318.329	1.167	50	20	DDGD	
COC(=O)[C@@H](C)CSCC(=O)NNC(=O)c1cccc(C)c1	742454652	QQADPZGJTKMODT-NSHDSACASA-N	324.402	1.298	50	20	DDGD	
Cc1noc(CN(C)C(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)n1	848354129	MNOLUUCMQGYIHY-WLRTZDKTSA-N	324.344	1.462	50	20	DDGD	
CC(=NNC(=O)Cc1nc2ccccc2n1C)[C@@H]1CCOC1	741758925	OMZJGAPUOGUSAT-GFCCVEGCSA-N	300.362	1.644	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC[C@H]2CCCNC2)c(F)c1	841924424	YZTFZUPRZKGNBD-JTQLQIEISA-N	324.356	1.238	50	20	DDGD	
CC(=O)N[C@H](C)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	917214307	KGVJVXOCODJHCA-ZCFIWIBFSA-N	300.702	1.216	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1ccc(C(F)(F)F)cc1	916357884	QBQQYRJRJXJLMV-UHFFFAOYSA-N	313.279	1.778	50	20	DDGD	
CCc1ccc(NC(=S)NNC(=O)N2CCOCC2)cc1	745729414	HKMZSHODFASSGQ-UHFFFAOYSA-N	308.407	1.492	50	20	DDGD	
Cc1nn2c(C=NNC(=O)[C@@H]3CCO[C@H]3C)c(C)nc2s1	842560731	HINVWDFZXYPYSV-WCBMZHEXSA-N	307.379	1.283	50	20	DDGD	
CO[C@@]1(C=NNC(=O)NCc2ccc(Cl)cc2)CCOC1	841624172	CKOLQQRSWIMUDV-CQSZACIVSA-N	311.769	1.931	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)ccc1OC(C)=O	842558389	RKIFRTQNENQJKH-ZWNOBZJWSA-N	320.345	1.496	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)CCc1ccccc1)C(C)C	745927883	MTDIEVLUSKIKQK-AWEZNQCLSA-N	307.394	1.621	50	20	DDGD	
CCC[C@@H](C)N1C[C@H](C(=O)NNC(=O)CC(F)(F)F)CC1=O	918367064	KUGSIMPJXOYYMW-RKDXNWHRSA-N	323.315	1.123	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC2(CC1)CC2(F)F	844408599	SURQYNXRJZNGPZ-LLVKDONJSA-N	317.380	1.690	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)c1ccccc1F)CC(C)C	841586372	MEMRYMHLCGJWJV-NSHDSACASA-N	311.357	1.831	50	20	DDGD	
CC(C)c1cnc(SCC(=O)NNC(=O)C(C)(C)C)n1C	747813195	FICBFNDWYZUWCF-UHFFFAOYSA-N	312.439	1.829	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc(-n2cccc2)c1	843649246	UCMGXPJMCSEXSH-WFASDCNBSA-N	313.357	1.663	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNc2oc(C(C)C)nc2C#N)C1	746148171	ZJJWQTVHTWKJLM-SNVBAGLBSA-N	319.365	1.371	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1coc2cc(F)ccc12	748864581	CGLMIXUHMCAWGA-UHFFFAOYSA-N	307.350	1.796	50	20	DDGD	
Cn1ccnc(NNC(=O)Cc2coc3cc(F)ccc23)c1=O	748424484	XDOGFRFVWKCODD-UHFFFAOYSA-N	316.292	1.351	50	20	DDGD	
Cc1ccccc1OCCCC(=O)NNC(=O)c1ncccn1	841354030	JXXUEEMLPSWEDV-UHFFFAOYSA-N	314.345	1.405	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=Cc1ccc2ncccc2c1	743445916	JGAHKDSHUHAVKQ-UHFFFAOYSA-N	323.312	1.129	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc2cc(F)ccc2o1	843650505	DEBPEZRVVZQOET-GZMMTYOYSA-N	306.293	1.758	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)c1cnn(C2CCC2)c1	929232447	STAFARFIVGUZQW-UHFFFAOYSA-N	302.309	1.822	50	20	DDGD	
C#CCN1CCC[C@@H](NC(=O)c2c(C)nn(CCCl)c2C)C1	923574529	HJWVEBKBTCTYMJ-CQSZACIVSA-N	322.840	1.566	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@H](C)[C@@H]1CCCNC1	841927228	NLVWLMZMJRJSEE-UKRRQHHQSA-N	318.421	1.256	50	20	DDGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)C(=O)Nc1ccccn1	758382970	ZNAZUZYOBBEWAS-XQHKEYJVSA-N	312.373	1.948	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Cc1ccncc1	920768255	ILUKCMHOXWZDIM-NSHDSACASA-N	317.320	1.378	50	20	DDGD	
CN(Cc1cnc[nH]1)C(=O)NNC(=O)C(C)(C)c1ccccc1	852082965	YYJPQNYRYRSCPH-UHFFFAOYSA-N	315.377	1.560	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)COc1ccc(F)cc1)C1CC1	858144092	GCOVMYOBUSDKDS-CQSZACIVSA-N	310.325	1.167	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cnc2ccccn12)C1CC1	855099144	SJMPJBVJASNUBB-SECBINFHSA-N	303.391	1.242	50	20	DDGD	
Cc1nnccc1C(=O)NNC(=O)c1ccc(Cl)cc1O	753287585	LGOJQALEMPUIEN-UHFFFAOYSA-N	306.709	1.219	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNc1cccc(C(=O)OC)c1C	855624123	BTXIRJGVJBKBFA-SNVBAGLBSA-N	322.361	1.814	50	20	DDGD	
CNC(=O)NNC(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C	758664297	BAXWDNBTOLYOKG-JTQLQIEISA-N	314.386	1.126	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)OCC(F)(F)F)c(F)c1	856023071	XCLNSNQWAALROI-UHFFFAOYSA-N	322.214	1.962	50	20	DDGD	
O=C(CNC(=O)C1CCCCC1)NNc1ccnc(Cl)c1	855469916	XBSHBBWYBRYEDD-UHFFFAOYSA-N	310.785	1.875	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1occc1-c1ccccc1	755276841	MKKBSHOELBZUEE-UHFFFAOYSA-N	310.313	1.673	50	20	DDGD	
CO[C@H](C=NNC(=O)c1cccc(Cl)n1)C1CCOCC1	853410191	FAKJKWGAJGHHMA-GFCCVEGCSA-N	311.769	1.892	50	20	DDGD	
COC(=O)[C@H](C)N(CCI)C1CCC1	759556252	HKTDVKQCVKCUNH-QMMMGPOBSA-N	311.163	1.837	50	20	DDGD	
COC(=O)[C@@H]1CN(S(=O)(=O)CCl)Cc2ccccc21	859398741	NGQJGEDRMCAVAY-LLVKDONJSA-N	303.767	1.285	50	20	DDGD	
O=C(NCC1CC2(C1)OCCO2)NNc1ccc(Cl)nc1	927079868	GPTQYKDTXCNXII-UHFFFAOYSA-N	312.757	1.514	50	20	DDGD	
CO[C@@]1(C)C[C@H]1NC(=O)NNc1cc(C(F)(F)F)ccn1	852685866	LPURIVINPZNIQC-KCJUWKMLSA-N	304.272	1.904	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC(CO)CC2)C[C@H]1Br	856951367	UPQLNGUBSJZGKZ-ZYHUDNBSSA-N	305.216	1.574	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CCSC1	853799272	KKSCCRCMAURPTP-SSDOTTSWSA-N	300.315	1.866	50	20	DDGD	
Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@]1(C)C[C@H]1Br	857395987	WTLOUNYEKYUCSY-GMSGAONNSA-N	317.143	1.232	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NC[C@H]1CN2CCC[C@H]2CO1	853683815	WGMBHHGGNLYCRK-KBPBESRZSA-N	322.384	1.623	50	20	DDGD	
CCCn1nc(C)c(C(=O)NNC(=S)N[C@@H](C)C2CC2)c1C	855098933	OLCYVEIYGCARNL-VIFPVBQESA-N	323.466	1.817	50	20	DDGD	
C[C@@H](CCOc1ccccc1)C(=O)NNC(=O)c1cc[nH]n1	855357381	HZOLFWYXUQAXGI-NSHDSACASA-N	302.334	1.276	50	20	DDGD	
C[C@@H](CC(=O)NNc1cnnn1C)C(=O)c1cccc(F)c1	857271748	XOFGKQQKVNXNHG-VIFPVBQESA-N	305.313	1.306	50	20	DDGD	
Cc1cccc(O[C@H](C)CNC(=O)NNC(=O)c2cn[nH]c2)c1	858252722	QOGTTWADMSXDFN-LLVKDONJSA-N	317.349	1.130	50	20	DDGD	
CN1CC[C@@H]1CNC(=O)NNC(=O)Nc1cc(F)cc(F)c1	925423163	FNCJYHGTGMEWSQ-LLVKDONJSA-N	313.308	1.005	50	20	DDGD	
COc1ccc(NNC(=O)C2=NNC(=O)C2)c(C(F)(F)F)c1	857265705	YAXSRONKHVLUGM-UHFFFAOYSA-N	316.239	1.033	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=Cc1nc(C)c(C)[nH]1	853265967	OXKCWNQWNVEUBS-UHFFFAOYSA-N	316.361	1.954	50	20	DDGD	
CC1(O)CCN(C(=O)NC[C@@]2(C)C[C@H]2Br)CC1	856897979	UZUNAGNYTZXGFJ-MWLCHTKSSA-N	305.216	1.716	50	20	DDGD	
C[C@@]1(CNC(=O)NCC(F)(F)CN)C[C@@H]1Br	857103090	BMXLLKIHLLZQAO-XPUUQOCRSA-N	300.147	1.053	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CCc3n[nH]cc3C2)c1	858301746	GQSCUNITKOCKLP-SNVBAGLBSA-N	319.390	1.281	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)NC[C@]2(C)C[C@@H]2Br)C1	857394782	SYURJXSCDHJTJK-DRZSPHRISA-N	317.227	1.535	50	20	DDGD	
COCCn1cc(CNC[C@]2(C)C[C@H]2Br)cn1	856807224	MHYKBUDNFFXKIK-NEPJUHHUSA-N	302.216	1.793	50	20	DDGD	
CC(C)(C)OC(=O)C1(C(=O)NNC(=O)c2ccc[nH]2)CCC1	854278258	RNFRPIFLWHHVSG-UHFFFAOYSA-N	307.350	1.288	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NNC(=S)Nc1cc(C)ccc1F	865273032	UNWZZXSAYJGBOK-JOYOIKCWSA-N	311.382	1.877	50	20	DDGD	
CCOC(=O)c1nn(C)cc1C=NNC(=O)c1ccccc1	769766984	WXVWJYIXKMWCLO-UHFFFAOYSA-N	300.318	1.361	50	20	DDGD	
O=C(NCC(F)F)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	768091406	WFKUJTBNEDXPIH-UHFFFAOYSA-N	322.655	1.073	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)COC(F)(F)F)c1	935256547	FYQOKLNLBOFFHU-UHFFFAOYSA-N	312.269	1.070	50	20	DDGD	
C[C@H](NNC(=O)[C@@]1(C)COc2ccccc2O1)C(F)(F)F	862324111	COEZNHBLJKAOOQ-QPUJVOFHSA-N	304.268	1.788	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)NCC(F)(F)F)c1ccc(F)cc1	861515411	ZFWNCZLIMPYXLM-SECBINFHSA-N	323.246	1.406	50	20	DDGD	
COCC(=O)NN=C(C)c1cc(Br)ccc1O	761816696	BTSICSUCRKRLBJ-UHFFFAOYSA-N	301.140	1.641	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCc1cccnn1)c1ccccc1	767809180	CIUVYQUUYARLHD-UHFFFAOYSA-N	313.361	1.285	50	20	DDGD	
O=C(NN=CC1CCC(C(F)(F)F)CC1)C(=O)NC1CC1	767361086	OQFGXDRIPWHKTO-UHFFFAOYSA-N	305.300	1.736	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCC(=O)N1)c1ccc(OC(C)(C)C)cc1	863152959	JRSMNILNXMIJAH-CQSZACIVSA-N	317.389	1.983	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CN(C)C2CCC2)ccc1C	863918233	CFBHCNMMKBSOSH-UHFFFAOYSA-N	305.378	1.709	50	20	DDGD	
Cc1c(NNC(=O)[C@H](C)[C@@H]2CCC(=O)N2)cccc1[N+](=O)[O-]	860325165	CWDRKBIUKWWPRJ-ZJUUUORDSA-N	306.322	1.261	50	20	DDGD	
O=C(Cn1cc(C2CC2)nn1)NNC(=O)c1ccccc1Cl	760212594	ZESYIEWLRDTIBN-UHFFFAOYSA-N	319.752	1.270	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)CN(C)C2CCC2)cc1	863852738	ZGEYVUCPTWSXEG-UHFFFAOYSA-N	321.446	1.719	50	20	DDGD	
C[C@@H](CCC1CC1)NC(=O)NNc1nc(O)c2cnn(C)c2n1	769555133	GCHAADBMEMNNDB-QMMMGPOBSA-N	319.369	1.274	50	20	DDGD	
NC(=O)NN=C1C(=O)Nc2c(Br)cc(Cl)cc21	864322894	FFFZFYLQSUNCFV-UHFFFAOYSA-N	317.530	1.427	50	20	DDGD	
CC1(C(=O)NNC(=O)CSc2ccccc2O)CCOCC1	764045976	WFNJONKEBCEBGO-UHFFFAOYSA-N	324.402	1.448	50	20	DDGD	
C[C@@H](NNC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(F)(F)F	862324075	BOGCZLADOHRRAX-VSYUYLJXSA-N	308.300	1.680	50	20	DDGD	
CNC(=O)NNC(=O)c1cnn(CCC#N)c1-c1ccccc1	760150613	YKRWFIOVPYLWGR-UHFFFAOYSA-N	312.333	1.038	50	20	DDGD	
CC1(C)CCCCC1=NNC(=O)CNC(=O)c1cccnc1	763199870	VRLZBOFONATNOR-UHFFFAOYSA-N	302.378	1.884	50	20	DDGD	
C[C@H](NNC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1)C(F)(F)F	862307474	YASYTUNNDPYCPM-ISVAXAHUSA-N	316.279	1.730	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=Cc1cccc(F)c1	763197191	ZZPHIWBODLUYCZ-UHFFFAOYSA-N	300.293	1.101	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cccc([N+](=O)[O-])c1O	768970952	SQQYYTWBEUTYMK-UHFFFAOYSA-N	307.184	1.014	50	20	DDGD	
CCc1ccc([C@H](C)CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1	862454514	HMYWYEKGXVLTTC-RISCZKNCSA-N	317.389	1.169	50	20	DDGD	
O=C(Nc1ccc(CNCc2ccc(B(O)O)cc2)cc1)C1CC1	1119297461	LYJQRXGURFORCZ-UHFFFAOYSA-N	324.189	1.005	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNC(=S)Nc1cccc(C)c1	873773962	ACVDAMBQCQIIEI-SNVBAGLBSA-N	308.407	1.227	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)[C@@H]1CCCCS1(=O)=O	776143923	IDZQGTONKPHZLU-AWEZNQCLSA-N	319.386	1.067	50	20	DDGD	
CC(C)(C)OC(=O)NNS(=O)(=O)c1ccc(C(F)F)o1	872332614	NOXDPPKVEOIWCB-UHFFFAOYSA-N	312.294	1.935	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(C)nc(C(F)(F)F)n1	778585906	NHURUKSJWVFPBS-UHFFFAOYSA-N	319.287	1.548	50	20	DDGD	
Cc1cc(F)c2nc(O)cc(C(=O)NNC(=O)C3CC3)c2c1	778523659	FBYXSOICDYRUEC-UHFFFAOYSA-N	303.293	1.559	50	20	DDGD	
Cc1cccc2c(=O)c(C(=O)NNC(=O)C3CCCC3)c[nH]c12	776117218	PFCJALWGBVJTOT-UHFFFAOYSA-N	313.357	1.788	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cncc(OCC(F)F)c1	1116320253	FPXUWLLXHRRORZ-UHFFFAOYSA-N	324.287	1.139	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1nc2ccccc2s1	874914006	YSIGDGFOHGSGGU-UHFFFAOYSA-N	305.359	1.484	50	20	DDGD	
Cc1ccn(CC(=O)NNc2cccc([N+](=O)[O-])c2C)c(=O)c1	772427375	NDJOKOOWXDIJKK-UHFFFAOYSA-N	316.317	1.517	50	20	DDGD	
CCNC(=O)CCC(=O)NNC(=S)Nc1cc(C)ccc1C	873754632	MRUGGPVMQWCHFR-UHFFFAOYSA-N	322.434	1.537	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2c(F)cccc2OC)cc1	1116271602	VXUABTRODCDXOL-UHFFFAOYSA-N	318.304	1.918	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(Br)nc1)n1ccnc1	1116052803	ZESLBOYXBZYZCB-QMMMGPOBSA-N	310.155	1.745	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2cnc3ccccc3n2)n1	773579312	XKTJHQKMBQZWGN-UHFFFAOYSA-N	322.328	1.415	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H]1CC1(Cl)Cl	871595826	RROUOVSENLRNLG-ZETCQYMHSA-N	314.238	1.054	50	20	DDGD	
O=C(CO)NNC(=O)c1ccc(C2SCCCS2)cc1	777781477	UHJFYQXDKOCXGY-UHFFFAOYSA-N	312.416	1.309	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)on1	772969761	OVXLEQBZDLYYFQ-SECBINFHSA-N	323.736	1.865	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@@H]1c1ccccc1)c1cccnn1	883850228	SPOUONUQBBLUNF-CQSZACIVSA-N	311.345	1.668	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cc(Cl)ccc1F	883060457	MNMBDFKCNHSANG-UHFFFAOYSA-N	300.717	1.667	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCO[C@H](C(C)C)C2)c1	778242244	UBQDCAPVILAHOR-HNNXBMFYSA-N	319.405	1.113	50	20	DDGD	
CC[S@](=O)[C@H]1CCC[C@@H](NS(=O)(=O)CCCCl)C1	881973957	WJYLXMSZOVUUBK-RLFDGXBXSA-N	315.888	1.615	50	20	DDGD	
C[C@@H]1CC[C@@H](NCC(=O)NNC(=O)c2cccs2)[C@H](C)C1	775678351	PLERHEDTXBAYEY-IJLUTSLNSA-N	309.435	1.923	50	20	DDGD	
Cc1noc(CCCC(=O)NNc2ccc(F)c([N+](=O)[O-])c2)n1	771591470	AXUGUBVPMRBNGU-UHFFFAOYSA-N	323.284	1.891	50	20	DDGD	
CC(C)CC1(CNC(=O)NNC(=O)c2cccnn2)CCC1	883508391	WQCJXWYCNGZGPB-UHFFFAOYSA-N	305.382	1.637	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cn1)[C@@H](O)c1cccnc1	775256670	HEVLCKTZUQZPNE-NSHDSACASA-N	312.251	1.672	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(F)nc2)cc1	777428511	CJUWHDNNDHMQLA-UHFFFAOYSA-N	300.293	1.618	50	20	DDGD	
O=C(CN1CCC[C@@H]1/C=C\c1ccccc1)NNC(=O)C1CC1	780396912	CVRMOWBYNOFCDH-JXMNSVBMSA-N	313.401	1.722	50	20	DDGD	
COC(=O)[C@@H](NS(=O)(=O)CCCCl)c1cccs1	881879671	RUZPQJMSNYDWOF-VIFPVBQESA-N	311.812	1.511	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CC[C@@H]1CC[C@@H](C)O1	788165239	YDFJUTYAKIBXNA-NEPJUHHUSA-N	316.398	1.271	50	20	DDGD	
Cc1ccnc2ccc(C(=O)NNC(=O)C3CCOCC3)cc12	883070651	YNKZAWBHARLBBB-UHFFFAOYSA-N	313.357	1.731	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CCCC(N)=O)c1C	787866818	ZDOSNFIRNNSOEB-UHFFFAOYSA-N	308.407	1.277	50	20	DDGD	
COC[C@@H]1COCCN1C(=O)[C@@H](Br)C(C)(C)C	886866079	BJVRTDRIDJRNOK-NXEZZACHSA-N	308.216	1.670	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)Cc2ccccc2C)nc(C)n1	880301999	AZCJJHPFFGAGEY-UHFFFAOYSA-N	313.361	1.797	50	20	DDGD	
CN(N=C1CCC(N2C(=O)c3ccccc3C2=O)CC1)C(N)=O	780236082	MOYIKGLXHWZOII-UHFFFAOYSA-N	314.345	1.592	50	20	DDGD	
O=C(NC[C@H]1C=CCC1)NNC(=O)c1ccc2c(c1)OCCO2	883778954	LLPPKBVSUNYTKI-NSHDSACASA-N	317.345	1.368	50	20	DDGD	
C[C@@H](NS(=O)(=O)CBr)c1cccc(C#N)c1	782460549	MSZKEQZFYBJCBP-MRVPVSSYSA-N	303.181	1.891	50	20	DDGD	
Cn1ncc(NC(=O)NNC(=O)c2ccc[nH]2)c1C(F)(F)F	782099021	IEUKCVVRLOBYGQ-UHFFFAOYSA-N	316.243	1.234	50	20	DDGD	
CC[C@H]1C[C@H](CC(=O)NNc2ccnc(N(C)C)n2)CCO1	782118916	ZMARMGJDWAGPNZ-NEPJUHHUSA-N	307.398	1.581	50	20	DDGD	
COc1cc(NNC(=O)NCC(=O)N(C)C)ccc1Cl	788851145	SZZNCJYOCNNUOV-UHFFFAOYSA-N	300.746	1.063	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2cc(C)ns2)cc1	785449514	LUPCZNWOBVBDNX-UHFFFAOYSA-N	305.359	1.989	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CCn1cnccc1=O	796823145	PGXDMSMFLFFUMP-UHFFFAOYSA-N	319.273	1.156	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1ccc2n[nH]cc2c1	794915678	PHPSNOIFZMUUQD-NSHDSACASA-N	304.350	1.455	50	20	DDGD	
CC[C@@H]1C[C@H]1NC(=O)NNC(=O)Cc1c[nH]c2ccccc12	798120209	CFVBKZDKJJHLCG-QMTHXVAHSA-N	300.362	1.839	50	20	DDGD	
COCCn1ccc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])n1	791069119	FKRSHUZJHJYMDN-UHFFFAOYSA-N	323.284	1.334	50	20	DDGD	
CN1CCCC(C)(C)[C@@H]1CNC(=O)NNC(=O)CC(F)(F)F	790896945	RIQLTAVSTPUELE-VIFPVBQESA-N	324.347	1.390	50	20	DDGD	
Cc1cc(OC(=O)CCn2cnccc2=O)ccc1[N+](=O)[O-]	796756792	OVKOFYSLJYLAAR-UHFFFAOYSA-N	303.274	1.456	50	20	DDGD	
Cc1nc2sccn2c1C=NNC(=O)c1ccc(O)c(O)c1	794559667	ZTNFGHZTVMFVEO-UHFFFAOYSA-N	316.342	1.879	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C[C@@H]2CCCOC2)cc1OC	792788781	DHPWCAMYHDSXKG-NSHDSACASA-N	322.361	1.282	50	20	DDGD	
COCc1cc(C=NNC(=O)Cn2ccc3ccccc32)no1	794908477	GMGIUVNNVKLCIY-UHFFFAOYSA-N	312.329	1.926	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cn(Cc2ccccc2)nn1	791218936	FZUPVZGCDREBBX-UHFFFAOYSA-N	308.345	1.787	50	20	DDGD	
CC[C@@H]1CC[C@H](C)CC1=NNC(=O)[C@@H]1CCS(=O)(=O)C1	797401070	ZLFFWBZBTGSTHY-QJPTWQEYSA-N	300.424	1.740	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)c1ccccc1O	794897825	WXJUXOKQGVPIGJ-PKKJXTRXSA-N	324.380	1.547	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)COc2ccc(F)cc2)CCC1=O	798306814	AYRNIQWMMBFGKL-WDEREUQCSA-N	322.336	1.357	50	20	DDGD	
CC[C@H](C)n1ncc(NC(=O)NNC(=O)c2ccc[nH]2)c1C	792483672	RFROKHPCCYOVCH-VIFPVBQESA-N	304.354	1.957	50	20	DDGD	
C[C@H](NC(=O)CCl)c1ccc(S(=O)(=O)N(C)C)cc1	1323268925	IKTOLLDQYVZQQY-VIFPVBQESA-N	304.799	1.353	50	20	DDGD	
O=C(CCc1nc2cccnc2[nH]1)NNc1nc2ccccc2[nH]1	1324717264	YHYKNPJBUDNISI-UHFFFAOYSA-N	321.344	1.910	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCc1nc(-c2ccccc2)no1	1329333791	GMKJONVIHJXEFC-UHFFFAOYSA-N	319.390	1.137	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN(CC(C)C)C1CC1	1328602877	DEUNVXPPULYJDJ-UHFFFAOYSA-N	317.433	1.805	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1ccc(-c2cnn(C)c2)cc1	1326879445	KNFHSGKYULJMAF-NVNXTCNLSA-N	316.386	1.843	50	20	DDGD	
O=C(CSc1nc2ccccc2[nH]1)NNc1cccnn1	1320924304	DLAKEGDQHUVEFM-UHFFFAOYSA-N	300.347	1.588	50	20	DDGD	
CC[C@H](C)N(C)CCNC(=O)NNc1nncc(N)c1Cl	1253132082	WREMPJAYLRFUID-QMMMGPOBSA-N	315.809	1.069	50	20	DDGD	
CC[C@@H]1C[C@@H](CC(=O)NNc2nncc(N)c2Cl)CCO1	1254438439	JLXGYBDPJQGOBG-DTWKUNHWSA-N	313.789	1.751	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21	1336021979	UXXKWAJSWWQHQF-MRVWCRGKSA-N	308.765	1.455	50	20	DDGD	
CS[C@H](C)CNC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1331359574	RCRIESUPEMTQCO-VHSKPIJISA-N	323.256	1.144	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NC[C@@H]2C[C@H]3C=C[C@H]2C3)cc1	1335581269	KNQHOEQCAXEAGS-QEJZJMRPSA-N	310.357	1.714	50	20	DDGD	
CCSCC[C@@H](C)NC(=O)NNc1nncc(N)c1Cl	1333468045	XPZXXKMIWZBBMK-SSDOTTSWSA-N	318.834	1.870	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@@H]1C[C@H]1c1ccncc1)C1CC1	1348851845	CBCWHQJCDGMZEZ-JIMOISOXSA-N	304.419	1.479	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2ocnc2C(F)F)cc1	1602128560	ODLAXNIFMNAZKE-UHFFFAOYSA-N	311.244	1.996	50	20	DDGD	
COc1cc(C=NNC(=O)CC(C)(C)C)ccc1-c1nn[nH]n1	1609341502	UQPYIBXBFKXFJE-UHFFFAOYSA-N	316.365	1.762	50	20	DDGD	
Cc1cc(=NC(=O)NNc2ccc(-c3nn[nH]n3)cc2)c(C)c[nH]1	1605712946	FVYKKNOYWDBFET-UHFFFAOYSA-N	324.348	1.449	50	20	DDGD	
C=CCNc1ncc(C(=O)NNc2ncccc2C(=O)O)s1	1602723278	YVKVKFPUJLXJLI-UHFFFAOYSA-N	319.346	1.591	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H](C(=O)NNc2ccc(Cl)cc2F)O1	1602177154	RKQFAHCYHISHIY-ZJUUUORDSA-N	302.689	1.554	50	20	DDGD	
N#C/C=C(/c1ccc(F)cc1)N1CC[C@]2(CC(C(=O)O)=NO2)C1	1601062827	KGQUEICAEUJUCK-HSLRFEFHSA-N	315.304	1.996	50	20	DDGD	
O=C(O)[C@]1(C(=O)NNc2ccc(F)c(Cl)c2)CCCO1	1605935462	JPXQAGBVROZDPY-GFCCVEGCSA-N	302.689	1.556	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)c1nnc(O)c2ccccc12	1608948726	ZFXLTCBSCMHVTE-UHFFFAOYSA-N	324.296	1.791	50	20	DDGD	
N#CC1(C(=O)NNc2ccccc2C(=O)O)CCSCC1	1601051040	ZNIPPKSVQQGDLQ-UHFFFAOYSA-N	305.359	1.865	50	20	DDGD	
C[C@@H]1CCCC[C@H]1NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1603890899	ODIYYKUISUNGSV-MWLCHTKSSA-N	316.369	1.467	50	20	DDGD	
C[C@@H](Cc1ccc(NCc2cccc(B(O)O)c2)cc1)C(=O)O	1604227545	CCBJFYXVJGFLFR-LBPRGKRZSA-N	313.162	1.242	50	20	DDGD	
COCCN(C)NC(=O)c1[nH]c2ccccc2c1CC(=O)O	1606880922	PPPGAENLCVXXJT-UHFFFAOYSA-N	305.334	1.018	50	20	DDGD	
Cn1ccc(CNC(=O)NNc2ccc(F)c(C(=O)O)c2)c1	1608124184	DKSQWJUYSFGESL-UHFFFAOYSA-N	306.297	1.689	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NC1CCN(CC(=O)O)CC1	1574369078	MGDWEIZCNOFOMW-UHFFFAOYSA-N	324.356	1.309	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNC(=O)CCCCCN)nc1	1575807203	NQMIOGWIAGVRCI-UHFFFAOYSA-N	308.382	1.149	50	20	DDGD	
C[C@H](NNC(=O)c1cccc2c1OCCNC2)C(F)(F)F	1576252642	QTSJLULZHOUDHD-QMMMGPOBSA-N	303.284	1.354	50	20	DDGD	
CCOc1ccc(NNC(=O)C2([C@@H](C)N)CCOCC2)cc1	1578183451	SDKVZUQWZVKHCV-GFCCVEGCSA-N	307.394	1.672	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc([C@@H](C)N)cc2)cc1	1579194068	GMEWIIXNHBDRGT-LLVKDONJSA-N	313.357	1.790	50	20	DDGD	
CO[C@@H]1CN[C@@](C)(C(=O)N(C)NC(=O)OCc2ccccc2)C1	1573957389	QBPOCBQVJGQJGY-XJKSGUPXSA-N	321.377	1.053	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@H](N)C1CCC1	1579155997	YALMTNNSWKEICW-GFCCVEGCSA-N	311.769	1.237	50	20	DDGD	
O=C(C1CCOCC1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843363167	SBOKZFNRIOFBJT-LLVKDONJSA-N	318.776	1.151	50	20	DDGD	
CC(C)/C=C/C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843367362	XBZUSDJJWGRAKY-ITKZLYELSA-N	302.777	1.936	50	20	DDGD	
O=C(NCCCCCN1CCNCC1)NNc1ccc(F)cc1	1580683011	HJADWMXUEOCMDT-UHFFFAOYSA-N	323.416	1.527	50	20	DDGD	
Cn1nc(C(=O)NNc2ncccc2C(=O)O)c2ccccc21	1594563030	MSKBFBLHTHWVOF-UHFFFAOYSA-N	311.301	1.423	50	20	DDGD	
C[C@H]1CC(=O)CC[C@H]1C(=O)NNc1ccc(C(=O)O)c(F)c1	1594195872	DIKSIRDEMPNEIF-GZMMTYOYSA-N	308.309	1.972	50	20	DDGD	
COc1ccc(NNC(=O)Nc2cc(C(=O)O)ccn2)nc1	1594105178	GRJMGOGTMLUDGM-UHFFFAOYSA-N	303.278	1.332	50	20	DDGD	
CC(C)n1cnc(C=NNC(=O)c2ccc(C(=O)O)cc2)c1	1776101461	JGNFAGRFSOATNJ-UHFFFAOYSA-N	300.318	1.926	50	20	DDGD	
O=C(O)c1cnc2c(c1)C(=NNC(=O)c1ccccn1)CCC2	1776028317	FCFRVCSDJINHSP-UHFFFAOYSA-N	310.313	1.645	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2)cc1C	16123720	YMZAWSDZEPTGOV-UHFFFAOYSA-N	304.371	1.927	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccccc1O	17526538	GDBJBXNOJVRRIQ-SNVBAGLBSA-N	318.304	1.760	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2cnc3sccn3c2=O)c1	150796483	RHVPZNRQRCKURK-UHFFFAOYSA-N	318.333	1.960	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1cc(F)cc(F)c1	161808537	KSKAMWBPDRVLNK-UHFFFAOYSA-N	308.313	1.991	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)NNc1ccccc1Cl	158534802	UCLBAIYUHMNFMC-UHFFFAOYSA-N	304.799	1.854	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2cc(C)cc(C)c2)nc1	163572071	TVDKCRRJLTZFOI-UHFFFAOYSA-N	313.357	1.847	50	20	DDGD	
O=C(O)COCCNC(=O)CCCC[C@@H]1CCSS1	201349300	AGVMLZAREKRSOW-SNVBAGLBSA-N	307.437	1.918	50	20	DDGD	
CN(C)C(=O)CC1CCN(S(=O)(=O)CCCCCl)CC1	155072176	RPJXUHPNQLKHJY-UHFFFAOYSA-N	324.874	1.526	50	20	DDGD	
COc1ncc(C)cc1NC(=O)C(=O)NNc1ccccc1F	155557255	MTCSEVHTHIYJFU-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
Cc1cc(C)cc(CCNC(=O)NNC(=O)c2ccc[nH]2)c1	156167469	OYCIAHDHLKMQPQ-UHFFFAOYSA-N	300.362	1.818	50	20	DDGD	
CCN(CC(=O)NNc1ncnc2nc[nH]c12)c1ccccc1	156218573	ZIINJBFCPDEVDK-UHFFFAOYSA-N	311.349	1.323	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)c2cc3cc(F)ccc3o2)nn1	154356993	MMXVLACDMNSYEV-UHFFFAOYSA-N	315.264	1.218	50	20	DDGD	
CCOC(=O)[C@H]1CCCN(S(=O)(=O)CCCCCl)C1	154739067	QQHABRDPOPNBBG-NSHDSACASA-N	311.831	1.610	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNC(=O)c2cc(Cl)ccc2O)c1	10626535	WOYMGNOCGSKIML-UHFFFAOYSA-N	321.720	1.651	50	20	DDGD	
O=C(NNC(=O)c1cccc2ncccc12)c1ccnc(F)c1	106812584	OPOXORNRJCTGNA-UHFFFAOYSA-N	310.288	1.844	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(Cc2cccc(F)c2)CC1	179861272	ALANIFDLTDEXLU-FYWRMAATSA-N	317.364	1.914	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)nc1O	23311800	BZFNBKXFJOFMCU-WDEREUQCSA-N	303.297	1.272	50	20	DDGD	
CC[C@@H](Oc1ccccc1C)C(=O)NNC(=O)c1cccn1C	175779476	HNTSWQNTZKCHGE-CQSZACIVSA-N	315.373	1.952	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)Sc1cc(C#N)ccn1	116611865	FJTPSNWSTMLJFS-JTQLQIEISA-N	306.391	1.627	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC[C@H]1CC(=O)c1cnn(C)c1	179443444	FMVRNTOXRPXGDY-GETOMWPZSA-N	316.361	1.428	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cc(F)cc3cccnc23)cn1	118947021	FQOZVYPYSBIKJE-UHFFFAOYSA-N	313.292	1.182	50	20	DDGD	
CCCCC(=O)N1CSC[C@H]1C(=O)NNc1cc(C)ccn1	176729559	VSQWOOMPLKUVDM-LBPRGKRZSA-N	322.434	1.925	50	20	DDGD	
Cc1cc(C)c(C(=O)NNc2nccc(N3CCOCC3)n2)[nH]1	177661138	QQXJHALAFKLLTG-UHFFFAOYSA-N	316.365	1.015	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H](C)N2CCCCCC2)nc1	179785153	MHPXKRVNJRMSAB-GFCCVEGCSA-N	320.393	1.576	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNC(=O)OC(C)(C)C	172927830	MSDDMQLIKWLIIU-SECBINFHSA-N	310.398	1.771	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@@H]1C[C@]12CCc1ccccc12	175030828	XGGADHVZEQXFNE-KSSFIOAISA-N	309.369	1.690	50	20	DDGD	
COCCN(Cc1ccccn1)S(=O)(=O)CBr	127208974	UHKJNIVGZQLRAK-UHFFFAOYSA-N	323.212	1.212	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)c1cc2c(s1)CCCC2	405067562	WRGPIHPNDZYUJE-UHFFFAOYSA-N	301.176	1.559	50	20	DDGD	
O=C(COC(=O)C=C1CCCCC1)NNC(=O)c1ccccc1	64132108	QRXSVIVXDPHLSJ-UHFFFAOYSA-N	316.357	1.881	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COCc2ccccc2)oc1C	127006930	MIJWVRJZNFYJKH-UHFFFAOYSA-N	302.330	1.874	50	20	DDGD	
O=C(NCc1cn(-c2ccccc2)nn1)NNc1ccccn1	125341373	CPDSNWWEXFFVCM-UHFFFAOYSA-N	309.333	1.489	50	20	DDGD	
Cc1ccc(C(=O)NNc2nc(-c3ccncc3)no2)cc1O	181013225	YPKMVYUHNGSXGA-UHFFFAOYSA-N	311.301	1.903	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)[C@@H]1CCCOC1	188239049	VUQBLLPSPRJFCS-SECBINFHSA-N	305.363	1.470	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CSc2nc(C)n[nH]2)cc1	72798195	DQHQRBHPOIDWRY-UHFFFAOYSA-N	319.390	1.229	50	20	DDGD	
O=C(/C=C/c1ccc[nH]1)NNC(=O)Cn1ccc2ccccc21	187792166	FGDLYJBJBSZTSA-BQYQJAHWSA-N	308.341	1.830	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])c(O)c2)n1	134506691	GYANYVOHKUMIPQ-UXBLZVDNSA-N	313.273	1.580	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@H]1CCCc2sccc21	136596268	SZZVPTFUQZOGPT-QWRGUYRKSA-N	309.391	1.635	50	20	DDGD	
CS[C@H](C)CNC(=O)NNC(=O)Cc1c[nH]c2ccccc12	134036012	HXRXYMQZINVSNP-SNVBAGLBSA-N	320.418	1.792	50	20	DDGD	
CNC(=O)N1CCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)CC1	84696756	FRRSLXRTPVQJEU-MKMNVTDBSA-N	315.333	1.416	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)C[C@H]1CCCCO1	87005963	OCYKPJSPLUHEAN-GFCCVEGCSA-N	316.361	1.363	50	20	DDGD	
Cc1conc1NC(=O)C(=O)NNc1ccc(Cl)c(F)c1	131076338	XSCPTPRFTBYMHH-UHFFFAOYSA-N	312.688	1.857	50	20	DDGD	
Cn1c(CNC(=O)NNC(=O)OC(C)(C)C)nc2ccccc21	193321061	RAXJBQFGFQLWHM-UHFFFAOYSA-N	319.365	1.812	50	20	DDGD	
CCOC(=O)NNC(=O)CCc1c(C)nn(CCC#N)c1C	46544240	FWRQOIBGXNYOSA-UHFFFAOYSA-N	307.354	1.124	50	20	DDGD	
CC(=O)N1CC(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)C1	191932986	ODGNGUMVYBIQRY-UHFFFAOYSA-N	312.713	1.170	50	20	DDGD	
COc1cccc([C@H](C)C(=O)NNC(=O)c2ccccc2O)c1	193604390	JYSDMKFWTNTVKA-NSHDSACASA-N	314.341	1.966	50	20	DDGD	
CC(=O)NNC(=O)c1ccccc1C(=O)c1ccc(F)cc1	192563578	KDIFDCIVHVPOJG-UHFFFAOYSA-N	300.289	1.838	50	20	DDGD	
CCC1=C(C(=O)NNC(=O)c2cccc(N(C)C)c2)CCCO1	190692861	DESXHRHYDHOBJJ-UHFFFAOYSA-N	317.389	1.988	50	20	DDGD	
COc1nccnc1NNC(=O)COc1cccc(Cl)c1C	131907059	GLSHQVPJOPHOGP-UHFFFAOYSA-N	322.752	1.969	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)o1)c1ccc2c(c1)OCCO2	198941803	ODXWAAGBNPGGEU-UHFFFAOYSA-N	322.704	1.779	50	20	DDGD	
C[C@@]1(NNC(=O)NC2CCCCCC2)CCS(=O)(=O)C1	42996244	ZRGSLFFHUHULMK-CYBMUJFWSA-N	303.428	1.090	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	192155390	RACSEGAZRAJDQT-UHFFFAOYSA-N	302.359	1.703	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C(C)(C)C)c(-c2ccccc2)n1	91096094	RZIPVAOERLCTNI-UHFFFAOYSA-N	300.362	1.894	50	20	DDGD	
CCOC(=O)NNC(=O)c1cnn(Cc2ccccc2)c1CC	97298365	WOUHMJSGIOTDHA-UHFFFAOYSA-N	316.361	1.885	50	20	DDGD	
Cc1ncc(/C=C\C(=O)NNC(=S)Nc2ccccn2)s1	255279227	OOVJDJGQRSLNFA-WAYWQWQTSA-N	319.415	1.878	50	20	DDGD	
NNC(=O)[C@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1	255027256	HUECJBBRZPUWON-OYVUYXNMSA-N	307.781	1.724	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cocn2)c1C	264327377	ZDSXROIVBVZQDG-NSHDSACASA-N	303.318	1.520	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2nnc(C(C)(C)C)s2)nn1	268347026	QNZSTRXPRKMLOL-UHFFFAOYSA-N	321.410	1.760	50	20	DDGD	
CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)NNc1cnccn1	269712706	RPNGYNDOSTYXLL-OAHLLOKOSA-N	323.397	1.861	50	20	DDGD	
CC(=O)c1cccc(O[C@@H](C)C(=O)NNC(=O)C2CCC2)c1	264672902	HFRRVZANSFZCIG-NSHDSACASA-N	304.346	1.604	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCSC[C@H]1C	265689408	MJUMJYODPVXBAU-SNVBAGLBSA-N	309.391	1.487	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cc2ccccc2o1)S(C)(=O)=O	267302557	QPPFLODCOQULKZ-UHFFFAOYSA-N	324.358	1.017	50	20	DDGD	
C[C@H](C(=O)NNc1ncnc2ccsc12)N1CCSCC1	269698165	QFQLNXHYFQDBDR-SECBINFHSA-N	323.447	1.572	50	20	DDGD	
O=C(NC[C@H]1CCN(c2ccccc2)C1)NNC(=O)C1CCC1	264704904	HSAOAIDXSPFCPP-CYBMUJFWSA-N	316.405	1.643	50	20	DDGD	
COC(=O)NCCCC(=O)NNC(=O)CCCc1ccccc1	264435079	LOVJXCNMWQXTEQ-UHFFFAOYSA-N	321.377	1.293	50	20	DDGD	
Cn1cc2c(n1)CCC[C@H]2C(=O)NNc1ccc([N+](=O)[O-])cc1	366952409	LYQKPJGLFAUFDF-GFCCVEGCSA-N	315.333	1.892	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C2(CCOC)CC2)nc1C	272253452	ZQPBHRLBDSLWDZ-UHFFFAOYSA-N	322.365	1.222	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)c2cccc(C)n2)c1Cl	279814421	ONJXSTAFBGAWFD-UHFFFAOYSA-N	321.768	1.643	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cccnc2OC(C)C)[nH]n1	273493445	OTXZXAHICKPUSU-UHFFFAOYSA-N	318.337	1.367	50	20	DDGD	
CC(C)C[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccc[nH]2)CCO1	272161588	XKEYSMILIGNDNV-RYUDHWBXSA-N	308.382	1.552	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccccn2)cnn1CC(C)C	270883860	GAZRNSWZCHYFRT-UHFFFAOYSA-N	301.350	1.317	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)c2cccc3ncccc23)CCO1	272070696	LJZWXTRWFDCZBT-NEPJUHHUSA-N	313.357	1.811	50	20	DDGD	
CS[C@H](C)CC(=O)NNC(=O)CSc1ccccc1O	270736970	WNXKXQAKDMHWFP-SECBINFHSA-N	314.432	1.773	50	20	DDGD	
CCn1cnnc1NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	285640975	DHSMHBBQZJALTK-LFYBBSHMSA-N	309.333	1.362	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cc(C3CC3)no2)c1O	281903978	RUDHNYKIIHICDL-UHFFFAOYSA-N	317.301	1.341	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CC23CCOCC3)nc1	372268207	WIBPQRKYLNHHBS-LLVKDONJSA-N	305.334	1.128	50	20	DDGD	
Cc1cccc(OC[C@@H](C)NC(=O)NNc2ccncn2)c1	296387899	PUCUBYHMFURLSP-GFCCVEGCSA-N	301.350	1.879	50	20	DDGD	
Cc1cc2ncc(C(=O)NN(C)C(=O)OC(C)(C)C)c(C)n2n1	297500155	BGRLJPSJKZYDSK-UHFFFAOYSA-N	319.365	1.858	50	20	DDGD	
C[C@H]1CCCN(CCNC(=O)NNc2ncc(F)cc2F)C1	297572594	ONDZMTZOOOKFCI-JTQLQIEISA-N	313.352	1.718	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	801105230	BJTVQXDAALNANY-UHFFFAOYSA-N	321.377	1.144	50	20	DDGD	
Cc1ccc2cccc(NC(=O)NNC(=O)[C@@H]3CCCO3)c2n1	292917918	LLEVCGQMNUFXFT-ZDUSSCGKSA-N	314.345	1.875	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)CCCC#N)cc1	291606758	CKSZWURRGOMZKO-UHFFFAOYSA-N	305.407	1.764	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNC(=O)c1cccc(Cl)c1	807949489	ZKRLDWNOIJLTOM-SECBINFHSA-N	312.753	1.690	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cc(F)c(O)c(Cl)c1	294617599	KHSGKBFNYIOEEJ-VIFPVBQESA-N	302.689	1.125	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)C(F)(F)c1ccc(F)cc1	802033483	ZJDIXNWYLPYAFO-UHFFFAOYSA-N	324.262	1.587	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)Nc1nn(C)cc1C#N	806331302	IKIMXCHVKSVYFY-UHFFFAOYSA-N	315.293	1.657	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cnc(-c3ccco3)s2)O1	294242177	NMOTUWYZOKZLIO-IUCAKERBSA-N	321.358	1.732	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@@](C)(O)C2CC2)cc1	804655678	CPQGPFSZCTWZEJ-HNNXBMFYSA-N	306.366	1.066	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ocnc2C2CC2)nc1	809738294	WOMATKUAZBURGO-UHFFFAOYSA-N	302.290	1.491	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)c2ncccc12)NC1CC1	801140615	QJRWSSDBPKPAFN-UHFFFAOYSA-N	304.737	1.995	50	20	DDGD	
N#Cc1cc(C(=O)NNc2ccc(-n3ccnc3)nn2)ccc1F	804952510	NXRBKPZNXMRBBA-UHFFFAOYSA-N	323.291	1.430	50	20	DDGD	
CCOC1(C(=O)NNC(=O)CCc2ccccc2)CCOCC1	803649501	DWNJQBDTNKQLFR-UHFFFAOYSA-N	320.389	1.352	50	20	DDGD	
CC(=O)N1CC(C(=O)NNc2cc(C(F)(F)F)ccn2)C1	295238904	CPTQUESEJRHZPX-UHFFFAOYSA-N	302.256	1.022	50	20	DDGD	
CSCC(C)(C)C(=O)OCC(=O)NNC(=O)c1ccccc1	800316151	TWZLWLVLLCCXEK-UHFFFAOYSA-N	324.402	1.380	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)[C@@H]1CCCCO1	295300369	FBGBCWYDUMPMIA-LBPRGKRZSA-N	307.306	1.233	50	20	DDGD	
CN(C)c1ccc(C2(C(=O)NNC(=O)C(C)(C)C)CC2)cc1	293577194	SYBABHUWQXAOHT-UHFFFAOYSA-N	303.406	1.978	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cc(C#N)ccc2Cl)n1	806901117	FWINLWAINUZTDH-UHFFFAOYSA-N	316.752	1.825	50	20	DDGD	
Cc1cc(NNC(=O)C2CCN(CC(F)F)CC2)nc(C)n1	806890018	QKZUBNFXMZUNSD-UHFFFAOYSA-N	313.352	1.514	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@@H]1CCOC[C@H]1C	804869274	XWNRNVPXTPOHAF-OLZOCXBDSA-N	305.378	1.612	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1cccnc1C1CC1	804953339	MNXISPFNKQLWCK-UHFFFAOYSA-N	321.344	1.692	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cn(C)nc1C(F)F	812224459	CWRRETMMRIPLEY-UHFFFAOYSA-N	301.341	1.540	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1CC[C@@H](C(=O)O)C[C@H]1C	814795418	VXYUGDRVWYVLJU-HTRCEHHLSA-N	310.379	1.640	50	20	DDGD	
CC(=NNC(=O)Cc1c[nH]c2ccccc12)c1cc(CO)on1	812224883	LZFIOBBDLHBIRP-UHFFFAOYSA-N	312.329	1.731	50	20	DDGD	
Cn1cnc(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)n1	810396532	AEVAYBGUPLXSOM-UHFFFAOYSA-N	319.712	1.275	50	20	DDGD	
COc1cccc([S@](=O)CC(=O)NNC(=O)C2CCCC2)c1	819095351	FSJNHDZQNLMCMV-JOCHJYFZSA-N	324.402	1.140	50	20	DDGD	
Cn1ncc2ccc(CNC(=O)NNc3ncccc3F)cc21	812916150	BKRCAJHMLFXUQH-UHFFFAOYSA-N	314.324	1.934	50	20	DDGD	
COc1ccncc1CNC(=O)NNC(=O)c1ccc(C)o1	814417100	KQARRJBXIODORL-UHFFFAOYSA-N	304.306	1.136	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)c1ccccn1)c1ccc(Cl)cc1	814683799	QLNZMTFMRHBTNB-HNNXBMFYSA-N	319.748	1.404	50	20	DDGD	
O=C(CNC(=O)c1ccccc1)NNc1cccc(Cl)n1	817004918	WGMCXWVPHHNHAT-UHFFFAOYSA-N	304.737	1.608	50	20	DDGD	
COC(=O)[C@H]1C[C@H]2CC(=NNC(=O)Cn3nc(C)cc3C)[C@H]1C2	817324067	PISQFPCHZVVJCC-AVGNSLFASA-N	318.377	1.191	50	20	DDGD	
CCCC[C@H]1CCCC1=NNC(=O)[C@H](C)NS(C)(=O)=O	728433355	DLCBZPJUBKGBCG-QWRGUYRKSA-N	303.428	1.387	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CS[C@H](C)c1nc2ccccc2[nH]1	823988903	YEGLEPPWMSVRSM-WDEREUQCSA-N	322.434	1.701	50	20	DDGD	
COc1nccc(C(=O)NC[C@@]2(C)C[C@@H]2Br)n1	826859105	PAQUXGCKPMBEPO-GZMMTYOYSA-N	300.156	1.389	50	20	DDGD	
CC(C)C[C@@H]1C[C@H]1C(=O)NNC(=O)CNC(=O)c1cccs1	822969893	DHPYUQLZLDLBQL-GHMZBOCLSA-N	323.418	1.308	50	20	DDGD	
CCOC(=O)NN=Cc1ccc(OCC(=O)O)c([N+](=O)[O-])c1	491312734	VPXGKLLTZWUYJA-UHFFFAOYSA-N	311.250	1.138	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C1CCC[C@H]1NC(=O)OC(C)(C)C	494694060	OEOFLQGGNNAVBL-LLVKDONJSA-N	321.381	1.881	50	20	DDGD	
COC1(C(=O)NNC(=O)c2cccc(F)n2)CCCCCC1	826695045	LGWYJHTZNKFAIH-UHFFFAOYSA-N	309.341	1.721	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN(c2ccccc2)C1)C1CCCC1	822474037	FCNHCFHTMQVLGP-AWEZNQCLSA-N	301.390	1.851	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(C(=O)OC)c(F)cc1F	490542651	RHUCWUDSTYLPQB-UHFFFAOYSA-N	303.221	1.144	50	20	DDGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CC=C(N)N2)c1C	829815081	YPQVJEJQXMUPNB-GDNBJRDFSA-N	313.405	1.959	50	20	DDGD	
CCOC(=O)C[C@@H](NC(=O)NNc1ccccn1)C(F)(F)F	824768581	KDBTWWIZPMKLMI-MRVPVSSYSA-N	320.271	1.592	50	20	DDGD	
CCCCC[C@@H](O)C(=O)NNc1nc(-c2cccnc2)no1	823232369	SHEMOPXEDNSFIH-LLVKDONJSA-N	305.338	1.516	50	20	DDGD	
CC[C@@H](C)n1ncc(NC(=O)c2cc(B(O)O)ccc2F)c1C	584981516	XVOBKMJUUQMTEO-SECBINFHSA-N	319.145	1.234	50	20	DDGD	
C[C@@H](C=NNC(=O)c1ncccn1)CNC(=O)OC(C)(C)C	496883242	LHXNLZFYGFDVKK-SNVBAGLBSA-N	307.354	1.353	50	20	DDGD	
CCN1CC[C@H](N(C)C(=O)/C(C#N)=C/c2cnn(C)c2)C[C@@H]1C	491103656	LJXFVRSBPFKOJV-LVTPQQFMSA-N	315.421	1.658	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1nccn1CC(F)(F)F	588616255	ZEQKRIDSAFVDMH-YVMONPNESA-N	308.285	1.201	50	20	DDGD	
OB(O)c1ccc(CNCC2(c3ccc(F)cc3)CC2)c(F)c1	585016972	GINRMYRBEIVDNR-UHFFFAOYSA-N	317.144	1.466	50	20	DDGD	
C[C@]1(C(=O)NNc2cccc(Cl)c2Cl)CCNC1=O	823547484	YCZSBRRXWFHWHM-LBPRGKRZSA-N	302.161	1.963	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@](C)(C(=O)O)C1	823841520	FYPBAOLWMIRQND-AWEZNQCLSA-N	313.785	1.676	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H]2CC2(C)C)o1	824353258	ZVMHNSWFEYBEEA-SSDOTTSWSA-N	305.342	1.467	50	20	DDGD	
CC[C@H](CC(F)(F)F)c1nc(-c2cccc(B(O)O)c2)no1	585052686	UQONYQXEQYDTJC-MRVPVSSYSA-N	314.072	1.862	50	20	DDGD	
C=CCN(CC(=O)NNC(=O)C(C)C)Cc1ccc(OC)cc1	827468757	XDNUSUBEOQCWSY-UHFFFAOYSA-N	319.405	1.487	50	20	DDGD	
C[C@@H]1CCC[C@@]1(C)C(=O)NNC(=O)CNC(=O)c1cccs1	822970950	YTEQDUCFPNAIDT-MEBBXXQBSA-N	323.418	1.452	50	20	DDGD	
CC(C)(O)CN1CCN(C(=O)[C@]2(C)C[C@H]2Br)CC1	906602853	TXBIBSNQCMXHTR-ZWNOBZJWSA-N	319.243	1.075	50	20	DDGD	
CCCNC(=O)/C(C#N)=C/c1ccc(OCCC(=O)O)cc1	490587886	OPSJYAVKRWMGJZ-JLHYYAGUSA-N	302.330	1.973	50	20	DDGD	
C[C@@H](c1ccccc1)N1CC[C@@H](NCc2ccc(B(O)O)cc2)C1	585022754	YJLSWVDBWYNQSO-HNAYVOBHSA-N	324.233	1.292	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NC[C@@H]2CC[C@H](C)O2)c1	838742165	OTIDZCYKMDOTDD-JSGCOSHPSA-N	321.377	1.272	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)CCNC(=O)O)cc1	736297950	XQXNYBKLSYKLDC-UHFFFAOYSA-N	307.350	1.403	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCCSCC(=O)O	909231006	AUNJYPNUSDFPCH-QMMMGPOBSA-N	312.229	1.730	50	20	DDGD	
CN(CCCNCc1ccccc1B(O)O)c1ccccc1F	585019046	ZYLMXUPNHYNBEO-UHFFFAOYSA-N	316.185	1.122	50	20	DDGD	
C[C@@H]1CC[C@@H](CNC(=O)NNC(=O)c2c[nH]c3ccccc23)O1	838741656	NXANOZKBUVIDGF-MNOVXSKESA-N	316.361	1.679	50	20	DDGD	
COCCN(C)CCCNC(=O)[C@]1(C)C[C@@H]1Br	906123976	PTWLGSCZWMZJEC-CMPLNLGQSA-N	307.232	1.244	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@H]1CC[C@H](C(F)(F)F)C1	584914288	UMMKWZHOGNDFSX-IUCAKERBSA-N	301.073	1.284	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)C1CC(O)(C2CCCCC2)C1	584910434	BGFVSNNDMUDNCL-UHFFFAOYSA-N	317.194	1.026	50	20	DDGD	
CC(C)COc1ncccc1C(=O)NNC(=O)[C@H]1CCCCO1	833250270	DXKONPNTWQTNFO-CYBMUJFWSA-N	321.377	1.447	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CN2[C@@H](C)CC[C@H]2C)ccc1F	837038242	OLRQPXCTLBUBKJ-PHIMTYICSA-N	323.368	1.928	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H]2CCCN2CC2CCCCC2)o1	585020315	RZOPCVLXPPTLQA-HNNXBMFYSA-N	320.242	1.094	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc(C)cc1Cl	901965287	AGVFQUNYPCUUQY-UHFFFAOYSA-N	314.794	1.761	50	20	DDGD	
Cc1ccc(CC[C@@H](C)NCc2ccc(B(O)O)cc2F)o1	585027781	ZTMPLAAEOHSQRA-LLVKDONJSA-N	305.158	1.518	50	20	DDGD	
Cc1ccc(N2CC[C@@H](NCc3cccc(B(O)O)c3)C2)cc1	585024626	ZYQOBUGVYVZBQY-QGZVFWFLSA-N	310.206	1.043	50	20	DDGD	
CC1=C(C)C(=O)N(CCC(=O)NNc2cc(C)ccc2C)C1=O	901164248	CJKQVPYWNUXCST-UHFFFAOYSA-N	315.373	1.842	50	20	DDGD	
CNC(=O)NN=C1C(=O)Nc2c(Br)cc(C)cc21	735614284	RRNZSHGBZQERRH-UHFFFAOYSA-N	311.139	1.343	50	20	DDGD	
COC(=O)C[C@@H](NS(=O)(=O)CBr)C(C)(C)C	907838475	OVJQIQQBEJWAFR-SSDOTTSWSA-N	316.217	1.236	50	20	DDGD	
CC1=C(C(=O)NNc2ccnc(N(C)C)n2)CCN1C(C)C	902870692	OPZUNAHLQFUVKZ-UHFFFAOYSA-N	304.398	1.374	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1O	834985465	IOYVIHCNYULPDI-ZDUSSCGKSA-N	307.306	1.710	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1cnc2ccc(Cl)cn12	737423605	UYFWXEDVRWBJJZ-UHFFFAOYSA-N	319.752	1.060	50	20	DDGD	
C[C@@H](Cc1cccs1)N(C)C(=O)c1ccc(B(O)O)c(F)c1	584957834	SDMCRLCFRFYZOR-JTQLQIEISA-N	321.182	1.270	50	20	DDGD	
CC[C@H]1C[C@H](Cc2nc(-c3ccc(B(O)O)cc3)no2)CCO1	585053411	FWRIYHJWOSPDJV-RISCZKNCSA-N	316.166	1.164	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1c(C)cccc1OC	834962341	NKLVNDPJJWDETK-UHFFFAOYSA-N	305.378	1.759	50	20	DDGD	
CCN(C(=O)c1cccc(B(O)O)c1)[C@H]1CCc2ccccc21	585009899	HCKDRCRLSXVTLX-KRWDZBQOSA-N	309.174	1.516	50	20	DDGD	
O=C(NNc1cccc(Cl)c1Cl)[C@H]1CCS(=O)(=O)C1	838341426	CGBOQWOFPVFENK-ZETCQYMHSA-N	323.201	1.871	50	20	DDGD	
CNC(=O)NC1CCN(C(=O)[C@]2(C)C[C@@H]2Br)CC1	910472427	MEZHGZYTPFBXOK-JOYOIKCWSA-N	318.215	1.080	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CCCCO1	837321389	HIEHVAGQHBCFIM-INIZCTEOSA-N	320.345	1.178	50	20	DDGD	
O=C(NNC(=O)C1CN(C2CCCCC2)C1)c1ccccn1	837305604	OPKIQOJVLVARCK-UHFFFAOYSA-N	302.378	1.107	50	20	DDGD	
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NN(C)C[C@@H](C)O	910161578	WLGVQQURJCLPED-YPMHNXCESA-N	309.366	1.507	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)Nc1cc(F)cc(F)c1)N(C)C	836622470	CXYCSXSGXJBYCQ-QMMMGPOBSA-N	315.324	1.251	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1nn(-c2ccc(Cl)cc2)cc1O	910163706	OVAASYZUOBBFRS-SECBINFHSA-N	324.768	1.189	50	20	DDGD	
O=C(NC[C@H]1CCCN1)NNC(=O)c1cc2ccccc2o1	841938461	MSEMXKIJUFWRIJ-LLVKDONJSA-N	302.334	1.129	50	20	DDGD	
Cc1ccc(C(=O)/C=C\C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	911503267	RCUXOFRYFWLJNX-SMFNXNMFSA-N	316.357	1.306	50	20	DDGD	
O=C(NC[C@@H]1CCCO1)NNc1ncccc1C(F)(F)F	915879491	CCPJZDJRLPZKPR-QMMMGPOBSA-N	304.272	1.906	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)COC(=O)C2CCCC2)cc1	744475438	IXTKXDNCFIEKNT-UHFFFAOYSA-N	315.329	1.053	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)Nc1ncn(C)n1	841721866	FTSRRBBDDFMBKF-UHFFFAOYSA-N	310.749	1.531	50	20	DDGD	
O=C(NN=Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCOCC1	747754470	ZSOWPSZPRAWERV-UHFFFAOYSA-N	317.305	1.452	50	20	DDGD	
CC(=O)N1CC[C@@](C)(C(=O)NNc2cc(Cl)nc(C)n2)C1	748339400	SMODLSODXLYICK-CYBMUJFWSA-N	311.773	1.140	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CNc1ccccc1)C(=O)OC(C)(C)C	840844903	HUGYRGVQFCTRTP-LLVKDONJSA-N	321.377	1.224	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](OC(C)C)C1	844379255	ORHOMTWGBOKUKY-UONOGXRCSA-N	313.442	1.458	50	20	DDGD	
CC(C)c1ccc(C=NNC(=O)C(=O)NC2CC2)cc1[N+](=O)[O-]	744823775	FUAQUBPSVOANJM-UHFFFAOYSA-N	318.333	1.447	50	20	DDGD	
O=C(NN=C1CCSc2ccccc21)C(=O)N1CCCC1	748137654	QSCSLPZDDOPJDL-UHFFFAOYSA-N	303.387	1.625	50	20	DDGD	
Cc1ccc(CCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(C)c1	843640088	BBDLGFNBYYJZBO-HIFRSBDPSA-N	304.390	1.808	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1cccc([N+](=O)[O-])c1	748257624	IUROGLAYTHTEDM-NSHDSACASA-N	309.322	1.487	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)c2c[nH]c3ccccc23)cc1C1CC1	742037748	ZMNOQWKCSUIVCW-UHFFFAOYSA-N	323.356	1.854	50	20	DDGD	
CCC[C@H](C)N1C[C@@H](C(=O)NNC(=O)CC(F)(F)F)CC1=O	918367063	KUGSIMPJXOYYMW-IUCAKERBSA-N	323.315	1.123	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)NC(=O)NNC(=O)Cc1ccncc1	747501174	XRNQOSOZQKBDBP-SECBINFHSA-N	317.349	1.321	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H](CN)C2CCCC2)c1	841986449	NLERUKUXAPEDON-AWEZNQCLSA-N	320.393	1.617	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNC(=O)Cc1cn2ccccc2n1	841136166	RGKNLNUTJSAWHV-CYBMUJFWSA-N	318.377	1.085	50	20	DDGD	
CC[C@H]1CN(CC(=O)NNC(=O)c2ccc(F)cc2)[C@H](C)CO1	844391374	QDOKLXUYUBAXMP-RISCZKNCSA-N	323.368	1.086	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccc(Cl)cc1Cl	841005766	JLRGTRKJLVXWNL-UHFFFAOYSA-N	305.165	1.885	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)[C@H]2CCc3nnnn3CC2)c1	845857015	ZSWKLVUVRWCJSU-LBPRGKRZSA-N	300.366	1.386	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(C)c1	843649150	TWSBYRBTYCTRGS-STQMWFEESA-N	322.430	1.968	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H]2CCCN2C(C)C)cc1	929290400	RNJADGGEWSBYKE-OAHLLOKOSA-N	303.406	1.883	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)cc1	846376421	ZMHCKKHEIHDOAG-JRPNMDOOSA-N	306.362	1.659	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@]12CCCc1ccccc12)c1ncccn1	841350677	QKIJPCOUFQDBEZ-KDOFPFPSSA-N	322.368	1.532	50	20	DDGD	
C[C@H](N)[C@@H](C)NC(=O)NNC(=O)c1cccc2ccccc12	842004422	KPHYFOBRCVERMP-WDEREUQCSA-N	300.362	1.520	50	20	DDGD	
CCS[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ncccn1	841579569	NMNBVNFYJZMBSM-GHMZBOCLSA-N	323.422	1.485	50	20	DDGD	
C[C@@H]1CN(C)CC1=NNC(=O)c1nn(-c2ccccc2)cc1O	752162928	JPBZDBCHGLWSML-LLVKDONJSA-N	313.361	1.245	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc2c(c1)CCOC2	854683685	UBYIDOHUJFMVLX-AWEZNQCLSA-N	304.346	1.089	50	20	DDGD	
C[C@]1(CNC(=O)NCCc2cnccn2)C[C@H]1Br	856846841	NMTHNKXDLPBEPA-ZYHUDNBSSA-N	313.199	1.492	50	20	DDGD	
CCCNC(=O)NNC(=O)Cc1ccn(-c2ccccc2)n1	756921480	LCHBOLNUZIEMLB-UHFFFAOYSA-N	301.350	1.155	50	20	DDGD	
CC(C)(C)OC(=O)CCC(=O)NNC(=O)OCC(F)(F)F	856020499	JWWUDQBXOLOYMA-UHFFFAOYSA-N	314.260	1.428	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)c1cccc(Cl)n1	857323610	SOJILJGDVIFZTP-IUCAKERBSA-N	309.753	1.501	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@]1(c2ccccc2)CC1(C)C	854290759	DKBSHLQJCXIABK-QGZVFWFLSA-N	317.389	1.026	50	20	DDGD	
C#CC[C@H](CCOC)NC(=O)NC[C@]1(C)C[C@@H]1Br	858628477	HVPAHNGQBLOXIH-MDZLAQPJSA-N	317.227	1.888	50	20	DDGD	
CCCn1nccc1C(=O)NNc1nccc(N(CC)CC)n1	857153142	QUSFDGPGMCJDRQ-UHFFFAOYSA-N	317.397	1.686	50	20	DDGD	
O=C1CC[C@]2(C(=O)NNc3ccnc(Cl)c3)SCCN12	855469434	GAMNQDXZXXFGKZ-GFCCVEGCSA-N	312.782	1.244	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C2(O)CCCCC2)c1	754972514	ALXBNFKJEIKBTQ-UHFFFAOYSA-N	322.361	1.160	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cc(O)ccc2[N+](=O)[O-])n1	751135109	RJYXGPJSMHXTAY-UHFFFAOYSA-N	317.305	1.264	50	20	DDGD	
CC(C)(C)CCC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855831086	FMOWHVNYTMUGML-UHFFFAOYSA-N	313.442	1.903	50	20	DDGD	
COc1cccc([C@@H](O)C(=O)NNC(=S)N[C@H](C)C2CC2)c1	855098110	DNLKSGKZLVRWHB-NOZJJQNGSA-N	323.418	1.022	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@@H](C)N2CCCCC2)c1	858276932	CLJAXITWPVKWDJ-GFCCVEGCSA-N	324.450	1.875	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)Cc2ccccc2OC)cn1	920987979	BGQKUUKSJJRFPN-UHFFFAOYSA-N	300.362	1.995	50	20	DDGD	
C[C@@H]1CC/C(=C\C(=O)OCC(=O)NNC(=O)c2ccccc2)C1	754190669	IXGIQPXTMSDNQC-GMCKNXKJSA-N	316.357	1.737	50	20	DDGD	
O=C(NCCCCc1ccccc1)NNC(=O)c1cn[nH]c1	858093872	ANBAQNUQLMTANB-UHFFFAOYSA-N	301.350	1.377	50	20	DDGD	
CN1C(=O)CC[C@H]1C(=O)NNc1ccc(-c2ccccc2)nn1	753425222	QJJCIVQZQMETGR-ZDUSSCGKSA-N	311.345	1.208	50	20	DDGD	
CC(C[C@@H]1CCOC1)=NNC(=O)c1ccc2c(c1)OCCO2	751519747	AXJROFNFPVGWQR-LBPRGKRZSA-N	304.346	1.990	50	20	DDGD	
CC[C@@H](NC)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	852805782	MGSRGLWFVNBBBA-SNVBAGLBSA-N	309.757	1.831	50	20	DDGD	
N#CSCCCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1	854362648	VWKGEYCLGSNTOQ-UHFFFAOYSA-N	313.310	1.833	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NC[C@@]1(C)C[C@@H]1Br	857402031	COYHJXYDYXKABC-QPUJVOFHSA-N	305.216	1.438	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cccc(OC2CC2)c1F	853330960	ABLPVVXKOYIIAB-UHFFFAOYSA-N	309.297	1.173	50	20	DDGD	
CC(C)(CO)CCNC(=O)NC[C@]1(C)C[C@H]1Br	856959798	XQNDFYPRTQFFJN-SKDRFNHKSA-N	307.232	1.868	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@@H](C)[C@@H](C)S(C)(=O)=O	855369549	PSIFFGMJBIOCQL-VHSXEESVSA-N	302.371	1.646	50	20	DDGD	
CC(=O)N[C@](C)(C(=O)NNC(=O)Cc1ccccc1C)C(C)C	934831590	KOGUVVMSQQBENB-KRWDZBQOSA-N	319.405	1.236	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NN=c1cc[nH]c(C)c1	862515768	BTWFFYJBPVSDLA-GFCCVEGCSA-N	322.409	1.901	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)[C@H]1CCC(=O)N1)CCC2	863148968	NWKSCPIYPJSCBD-CQSZACIVSA-N	301.346	1.130	50	20	DDGD	
Cc1ccc([C@H](C)[C@H](O)C(=O)NNC(=O)c2ccncc2)cc1	764581545	PXZMOAYCOXTXMK-WFASDCNBSA-N	313.357	1.316	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1	865016044	UGKJICPYKIYCNQ-RYUDHWBXSA-N	320.393	1.264	50	20	DDGD	
COc1ccc(C(C)=NN(C)C(N)=O)cc1Cn1cccn1	767900927	PVQRBEPWNWXPEM-UHFFFAOYSA-N	301.350	1.675	50	20	DDGD	
CCc1cccc2c1N(C(=O)C(=O)NNC(=O)[C@@H](C)CC)CC2	764086687	VGJITGRMBYNBNH-NSHDSACASA-N	317.389	1.332	50	20	DDGD	
CCO[C@@H]1C[C@@H](NS(=O)(=O)CC(C)(C)CCl)[C@@H]1OC	867106324	AYCOGRRJAWYNAO-MXWKQRLJSA-N	313.847	1.363	50	20	DDGD	
COCCOCC(=O)NNC(=O)C1(c2ccccc2C)CCC1	869906540	NOVOULWEWDVNES-UHFFFAOYSA-N	320.389	1.227	50	20	DDGD	
O=C(NNc1ccc(F)c(Cl)c1)[C@@H]1CCc2nnnn2CC1	863082273	HULSUFGROKTVAR-MRVPVSSYSA-N	324.747	1.561	50	20	DDGD	
COc1cc(C(=O)NNC(=S)N[C@@H](C)C2CC2)sn1	862150596	VRTGMLQZYRRAAY-LURJTMIESA-N	300.409	1.059	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C	861294115	PMSUYBFSSYTENR-JKSUJKDBSA-N	303.362	1.955	50	20	DDGD	
CC(=O)N[C@@H](CC(=O)NNc1ncc(F)cn1)c1cccs1	760922561	JTFGVVUUUONUEU-JTQLQIEISA-N	323.353	1.388	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cnc(C2CC2)o1	878390206	ICRGUMODZUUMCE-UHFFFAOYSA-N	315.329	1.564	50	20	DDGD	
COc1nc(Cl)c(/C=C(/C#N)C(=O)C2CCOCC2)n1C	1116889568	DQQZMMOPXQBCTP-YFHOEESVSA-N	309.753	1.985	50	20	DDGD	
O=C(NNC(=S)NC1CCC1)c1nc2ccccc2s1	871691035	KWZXGQOAKWFXNW-UHFFFAOYSA-N	306.416	1.958	50	20	DDGD	
O=C(CO[C@@H]1CCOC1)NNc1ccc(OC(F)F)cc1	1116351045	WINUJXLHKRMQAU-LLVKDONJSA-N	302.277	1.537	50	20	DDGD	
CC(C)CN1C[C@H](C(=O)NNc2nccnc2C(C)C)CC1=O	772894476	XXOXIRLOCIHOLG-GFCCVEGCSA-N	319.409	1.548	50	20	DDGD	
COc1ccnc(NNC(=O)c2cn(C3CC3)c(C)cc2=O)n1	773777490	OZRDMEDSIPETBV-UHFFFAOYSA-N	315.333	1.047	50	20	DDGD	
Cc1coc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1C	1117100643	JVQMRUQLQRZLQE-UHFFFAOYSA-N	303.274	1.879	50	20	DDGD	
CSC1CCN([C@H](C)C(=O)NNC(=O)CC(C)C)CC1	879099103	LYMUXQPUPUEENJ-LLVKDONJSA-N	301.456	1.396	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCC(=O)C1CCOCC1	770999195	IJTYKYDPOYVYIX-NTEUORMPSA-N	315.325	1.838	50	20	DDGD	
COC(=O)[C@H](C)n1cccc1C=NNC(=O)c1cccc(C#N)c1	774586767	KFRYBVPZAHEFEG-LBPRGKRZSA-N	324.340	1.858	50	20	DDGD	
CCc1cccc2c1N(C(=O)C(=O)NNc1ncccn1)CC2	773720414	YSJJTXUPWQLKQJ-UHFFFAOYSA-N	311.345	1.071	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@@H](O)c1cccnc1	772504639	YIKKAGPJESGCPH-CYBMUJFWSA-N	322.796	1.597	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(C)c(CC)s1	771938969	KAZOMBLPJZPLRK-VIFPVBQESA-N	312.391	1.722	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cnc([C@H]2CCCO2)s1	887145704	OKHCSFMGHLQUKO-SNVBAGLBSA-N	307.375	1.559	50	20	DDGD	
CC(=O)Nc1ccc(C)c(C(=O)NNC(=O)C2CCOCC2)c1	883068688	FBOZUXKJGBJMOF-UHFFFAOYSA-N	319.361	1.141	50	20	DDGD	
COC(=O)Cc1ccccc1OS(=O)(=O)CCCCl	881925385	QEDLVXRONSZBEW-UHFFFAOYSA-N	306.767	1.740	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)c2c[nH]nc2C)c1F	771243151	FPZXMURTTMBKKR-UHFFFAOYSA-N	307.285	1.332	50	20	DDGD	
CC(CCn1cccn1)=NNC(=O)COc1ccc(C#N)cc1	776758919	DLQFFAASNLOXNK-UHFFFAOYSA-N	311.345	1.716	50	20	DDGD	
CNC(=O)[C@H](CC(C)C)NC(=O)/C(C#N)=C\c1ccc(O)cc1	787473379	LUDCDIBLGUCDHV-CTXBLAANSA-N	315.373	1.576	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1ccc(=O)n(-c2cccc(F)c2)c1	780753518	DZSPNHPRRURPCR-UHFFFAOYSA-N	324.315	1.550	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1)c1coc(C)n1	788976726	GWGPKBPDWNUPIX-IJLUTSLNSA-N	322.409	1.569	50	20	DDGD	
COc1cccc(NNC(=O)C[C@H](C)NC(=O)OC(C)(C)C)n1	780770288	RALKGQRWPMAQGQ-JTQLQIEISA-N	324.381	1.837	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cccc(C(=O)NCCC)c1	887144735	XSJRUVXTEPTIIH-UHFFFAOYSA-N	315.373	1.391	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)C(C)C)cc1C(=O)NC(C)C	782572878	IHQQXSCLNJXDGD-UHFFFAOYSA-N	320.393	1.942	50	20	DDGD	
C[C@]1(C#N)CCCN(CC(=O)NNC(=O)c2cccs2)C1	784452902	FHDCMAKGDCMHJE-CQSZACIVSA-N	306.391	1.135	50	20	DDGD	
COc1cc(F)ccc1NC(=O)C(=O)NNc1ccc(C)nn1	783954170	XNDSRRTZXVHUJR-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
CN1C(=O)Cc2cc(NC(=O)C(=O)NNc3ccccc3)ccc21	789722593	UXCMNGCKPBDLHN-UHFFFAOYSA-N	324.340	1.287	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCc2nn[nH]c2C1	787079159	QHYZLDZUNZLVFJ-SECBINFHSA-N	301.188	1.499	50	20	DDGD	
Cn1ncc(C(=O)NNc2ncncc2Cl)c1C(F)F	781836581	PIUOCCSISSQMAS-UHFFFAOYSA-N	302.672	1.558	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCc1cccc2cc[nH]c12	786118631	YIIHZSIJBOUUGB-UHFFFAOYSA-N	323.356	1.636	50	20	DDGD	
O=S(=O)(CBr)N1CCOC2(CCCCC2)C1	782454303	MXHPFOLINLFYPB-UHFFFAOYSA-N	312.229	1.704	50	20	DDGD	
C#CCOCCNC(=O)NN=c1sc2ccccc2n1C	784549352	NIIINUPWTIHXDP-UHFFFAOYSA-N	304.375	1.005	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H](C)[C@H]1CCCOC1	780010289	DRDONTOUXXLZPH-NEPJUHHUSA-N	321.377	1.454	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H](C)Oc1ccc(C(F)(F)F)cc1	782672017	MXMZLRGTVMXHKM-MRVPVSSYSA-N	319.283	1.823	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)O[C@@H](C(N)=O)C(C)C)cc(C#N)n1C	782626807	QEVJZYLQPLPTLP-IMBBRHANSA-N	314.345	1.165	50	20	DDGD	
CC(C)[C@H](F)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	784016439	INZJRPZUWMGFEE-CABZTGNLSA-N	300.305	1.735	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@@H]2CCN2C2CCCC2)n1	896508199	PXBCPHFFTQMAHW-LBPRGKRZSA-N	304.398	1.003	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2O[C@H](C)C[C@H]2C)cc1OC	799856348	BGWSHSKACBIUSX-GPCCPHFNSA-N	322.361	1.278	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cccc(CO)c1	792797548	GSVJYBCYIAEDQD-UHFFFAOYSA-N	314.341	1.191	50	20	DDGD	
Cc1nc2c(C(=O)NNC(=O)Cc3ccncc3)cccc2o1	791621504	VUJXWPHEYXXVLM-UHFFFAOYSA-N	310.313	1.535	50	20	DDGD	
COc1cccc(NNC(=O)Cn2ccc3ccccc3c2=O)n1	790920643	BJLBCVXWIYEJNK-UHFFFAOYSA-N	324.340	1.548	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)NCCc1cccs1	793208198	UGTNUOUXDCGWPQ-QWRGUYRKSA-N	323.418	1.626	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@](C)(O)CSc1cccc(F)c1	794612131	DXIGMIGSYPNQJG-AWEZNQCLSA-N	314.382	1.472	50	20	DDGD	
Cc1cc(F)cc(-n2cc(C(=O)NNc3ccccn3)nn2)c1	790013820	LHPZOPGQHREDNU-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
C[C@H]1COC(=O)C1=NNC(=O)Nc1ccc(OC(F)F)cc1	794911337	BYKRTQRAUKYRML-ZETCQYMHSA-N	313.260	1.958	50	20	DDGD	
O=C(NN=Cc1ccc([N+](=O)[O-])cc1F)c1ccc(O)c(O)c1	794556996	MOMRTEOYLLUFLB-UHFFFAOYSA-N	319.248	1.909	50	20	DDGD	
CC1=C(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)CCC1	798307741	DBPWFNIULZKHTN-UHFFFAOYSA-N	315.373	1.890	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1	1319447276	KOOZVFYCDCLNKC-CDGCEXEKSA-N	315.373	1.684	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(Cn2cccc2)cc1	1318302118	LPAMTDJRFJYQBX-UHFFFAOYSA-N	300.362	1.890	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(CF)cc1	1329489477	NHGKNFOIVATCTA-LLVKDONJSA-N	324.352	1.895	50	20	DDGD	
Cc1ncc(C(=O)NNc2ncncc2Cl)c(C2CC2)n1	1321153801	JPAAWDSTFYRWRU-UHFFFAOYSA-N	304.741	1.863	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)N[C@@H]1CCCOCC1	1320081321	PXAJUKMQAULWDK-SNVBAGLBSA-N	311.769	1.853	50	20	DDGD	
N#Cc1cccc(C2(C(=O)NNc3nc4ccccn4n3)CC2)c1	1320828128	VTROXWOPDNCDHZ-UHFFFAOYSA-N	318.340	1.776	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2	712925665	NYCKOVJWICKSJK-TUAOUCFPSA-N	307.843	1.882	50	20	DDGD	
CCOc1cc(/C=C/C(=O)NNc2cccnn2)ccc1O	1320064314	RAZJXCPFFYHXAO-SOFGYWHQSA-N	300.318	1.737	50	20	DDGD	
NC(=O)[C@@H]1CCCN1CCCNC(=O)c1cccc(CCl)c1	1335996957	CLJVVDIXVOYVHT-AWEZNQCLSA-N	323.824	1.495	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cc(C)n(CC(F)(F)F)n1	1330707719	FQBCEMZZMHWSCQ-UHFFFAOYSA-N	309.248	1.489	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc2c(nc1O)CCC(C)(C)C2	1332174213	BFIGSWAYVTYQPP-SNVBAGLBSA-N	307.394	1.260	50	20	DDGD	
Cc1cccnc1NNC(=O)NCc1cc(C2CC2)nn1C	1340866963	HWMQUPMUXPYTGJ-UHFFFAOYSA-N	300.366	1.827	50	20	DDGD	
CC(C)(C=NNC(=O)COc1ccccc1F)S(C)(=O)=O	1341146508	XXJMXAFDZBPLJF-UHFFFAOYSA-N	316.354	1.130	50	20	DDGD	
C=C[C@@H](COC)NC(=O)NNC(=O)[C@H](CC)c1ccccc1	1342727025	GXXVERSMALPWPP-UONOGXRCSA-N	305.378	1.712	50	20	DDGD	
O=C(O)CCCN1CCC(=NNC(=O)[C@@H]2CCCS2)CC1	1601990296	ZWMMBWPFDYQULV-LBPRGKRZSA-N	313.423	1.315	50	20	DDGD	
C[C@H](NNC(=O)c1ccc(-c2nn[nH]n2)s1)C(F)(F)F	1603672948	ZAJBWOLMDUJYBE-BYPYZUCNSA-N	306.273	1.113	50	20	DDGD	
O=C(C[C@H]1CSCCS1)NNc1ncccc1C(=O)O	1605670287	HQTQZSQQVWGHKS-QMMMGPOBSA-N	313.404	1.462	50	20	DDGD	
O=C(O)COc1cccc(C(=O)NNc2ccc(F)cn2)c1	1602091708	VYIAVPILPITAFG-UHFFFAOYSA-N	305.265	1.441	50	20	DDGD	
Cn1ncc2cc(C(=O)NNc3ccccc3C(=O)O)cnc21	1608161084	SESWEOGNIMFQLJ-UHFFFAOYSA-N	311.301	1.423	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNc1cccc(C(=O)O)c1F	1600668982	XIORVHFZIJBGSX-UHFFFAOYSA-N	306.297	1.550	50	20	DDGD	
C#Cc1cncc(C(=O)NNc2ccc(C(=O)O)cc2OC)c1	1609189767	AUVXPLGSYNQUEX-UHFFFAOYSA-N	311.297	1.527	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)c1cn(C2CCC2)nn1	1608480243	FNDIDILXBRZXIM-UHFFFAOYSA-N	319.296	1.597	50	20	DDGD	
Cc1sc(C)c(C(=O)O)c1NC(=O)NNC(=O)c1cc[nH]n1	1600876927	KJONZLUOHXNPIW-UHFFFAOYSA-N	323.334	1.253	50	20	DDGD	
O=C(NCCc1cn[nH]c1)NNc1ccc(F)c(C(=O)O)c1	1608453977	ATLNKZOMCBHIQL-UHFFFAOYSA-N	307.285	1.116	50	20	DDGD	
O=C(NCc1ccncc1)NNc1ccc(F)c(C(=O)O)c1	1601545557	SBCQIUIBYRRESU-UHFFFAOYSA-N	304.281	1.745	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NC[C@H]1CCO[C@H]1C(=O)O	1601045227	JHNWNDIJLUXQGX-PPULMUOOSA-N	318.304	1.339	50	20	DDGD	
O=C(CN1CCSC1=O)NNc1ccc(C(=O)O)cc1F	1608336050	NKYQDDUKFAEXKP-UHFFFAOYSA-N	313.310	1.136	50	20	DDGD	
COc1cc(OC)cc([C@H](NNC(=O)CC2CC2)C(=O)O)c1	1607186661	DRCBKDBNOHFDOY-AWEZNQCLSA-N	308.334	1.250	50	20	DDGD	
CSC1(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1	1609369241	RDLZSKLCXYBUHI-UHFFFAOYSA-N	302.363	1.478	50	20	DDGD	
CO[C@H]1CCCC[C@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1	1605030877	QBLQMQVNPZYVGE-OLZOCXBDSA-N	316.365	1.515	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2ccc([N+](=O)[O-])cn2)c1	1610848609	NLFJVMYMCXKJJT-UHFFFAOYSA-N	302.246	1.445	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cnn3c2CCC3)c(F)c1	1610836084	XGITUPAEXXBBRX-UHFFFAOYSA-N	304.281	1.424	50	20	DDGD	
CN(C)[C@H]1CCCC[C@@H]1NC(=O)NNc1cccc(C(=O)O)c1	1610098323	DJOJHKNXMLUPQY-KBPBESRZSA-N	320.393	1.884	50	20	DDGD	
CC(C)[C@H](C(=O)N(C)NC(=O)OCc1ccccc1)[C@@H](C)N	1575402892	WHZHTFSNLTYINN-OCCSQVGLSA-N	307.394	1.906	50	20	DDGD	
C#C[C@H](NC(=O)NNc1ccc(F)c(C(=O)O)c1)[C@@H]1CCCO1	1588373415	FWIJQJJLDICXMJ-STQMWFEESA-N	321.308	1.331	50	20	DDGD	
C[C@@H](Cc1ccc(C#N)cc1)C(=O)NNc1ccc(C(=O)O)cn1	1592833375	GZZRVPXEZUVBNV-NSHDSACASA-N	324.340	1.973	50	20	DDGD	
CN(NC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)O)C[C@@H]12)c1ccccc1	1598540951	HPCDJILVENSTAE-WVWOOGAGSA-N	303.362	1.836	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(F)c(C(=O)O)c1Cl	1593995683	NZEKOYXMZSGVRO-UHFFFAOYSA-N	319.720	1.792	50	20	DDGD	
CO[C@]1(C(=O)NNc2cccc(C(=O)O)c2F)CCSC1	1599063285	FJMNVFLMSJSVTK-CYBMUJFWSA-N	314.338	1.489	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1[nH]cnc1C)C2	1845164907	JMZZWARBBZWKQH-NSHDSACASA-N	324.812	1.553	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)[C@]1(C(=O)O)C[C@H]2CC[C@H]1C2	1594420373	IPWLAXFWLHCKAW-MMPTUQATSA-N	317.345	1.042	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)C2=CCCS2)C1	1841645413	DTEQUZFVRZSWAC-JTQLQIEISA-N	318.801	1.745	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cc(C(=O)O)nn1C	1594331679	WBEAIDONMUIGDP-UHFFFAOYSA-N	319.277	1.092	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@H]1C(=O)O)c1cc2ccccc2o1	1594782994	QUBYPXVZGZWQJY-NXEZZACHSA-N	302.286	1.305	50	20	DDGD	
COc1cccc([C@H](NNC(=O)c2cc(C)oc2C)C(=O)O)c1	1599659528	LTDWYNRFMNYAPS-AWEZNQCLSA-N	318.329	1.965	50	20	DDGD	
C[C@H](Sc1ccccc1C(=O)NNc1ncccn1)C(=O)O	1593671894	AWALPKDAXSFLJA-VIFPVBQESA-N	318.358	1.799	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(C)Cc1ccc(OCC(=O)O)cc1	1596860312	IRNPOIIPVMERBN-RAXLEYEMSA-N	318.329	1.552	50	20	DDGD	
Cn1nc(C(=O)O)cc1/C=C(\C#N)C(=O)NCc1ccccc1	1776117746	HLDSUPFYZXCWNP-KPKJPENVSA-N	310.313	1.342	50	20	DDGD	
O=C(NN=Cc1c[nH]c2c(C(=O)O)cccc12)c1cccnn1	1776103385	GPIILFLTKSPUKO-UHFFFAOYSA-N	309.285	1.420	50	20	DDGD	
CCc1ncc(C=NNC(=O)Nc2ccc(C(=O)O)cc2)cn1	1776045606	ZDRLLBUWDQDPKB-UHFFFAOYSA-N	313.317	1.893	50	20	DDGD	
CCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Cl)C2	1795605157	PKFXUDSBGMBHIP-WYFGTUCQSA-N	306.765	1.196	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnc(C(F)(F)F)nc2)o1	160750220	WBKGXCNUINOVJY-UHFFFAOYSA-N	314.223	1.472	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ncnc2ccsc12)N(C)C1CC1	151761747	HQODYCVLKCRWCS-VIFPVBQESA-N	320.422	1.800	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@H]2CC[C@H]3CCCC[C@@H]3C2)cn1	152373604	WOGSMQSOIGZRBJ-UPJWGTAASA-N	304.394	1.788	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)c2cccc(C#N)c2)CCCS1	153376875	ZUXLLCWQUGDYMX-OAHLLOKOSA-N	318.402	1.788	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)[nH]1	155142688	NOUQMYAVNBIWRH-UHFFFAOYSA-N	302.290	1.615	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCc1cccc(F)c1F	154003864	RWJRAQKYFJHQSW-UHFFFAOYSA-N	315.320	1.264	50	20	DDGD	
COCCC(=O)NNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1	154334068	JFUWSAKXAHMVPF-UHFFFAOYSA-N	306.297	1.013	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2csc([C@@H]3CCCO3)n2)[nH]n1	154978780	OJNOVRNQIBXPAW-JTQLQIEISA-N	321.362	1.101	50	20	DDGD	
CCC1(CC)NC(=O)N(CC(=O)NNc2cccc(F)c2)C1=O	154980481	SEXQWAIAQCYYMP-UHFFFAOYSA-N	322.340	1.379	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C	496659520	CRTLFXVVWTTYMX-BDAKNGLRSA-N	315.370	1.456	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(Cl)ccc1OC	9752348	JHHJFLJOCHELCF-UHFFFAOYSA-N	315.757	1.329	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCCc2ccccn2)c(O)c1	104856027	FLBODCYWZQRLPZ-UHFFFAOYSA-N	313.357	1.880	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2F)n(C)n1	175826221	CDLMAJGVEWYZEG-UHFFFAOYSA-N	310.716	1.596	50	20	DDGD	
CNC(=O)NNC(=O)c1csc(-c2ccc(OC)cc2)n1	56376256	ATXKHXWMUBTNSI-UHFFFAOYSA-N	306.347	1.393	50	20	DDGD	
C[C@H](C(=O)NNc1cc(F)c(F)c(F)c1)N1CCN(C)CC1	175483969	OEIYLLTXDAGVDA-SECBINFHSA-N	316.327	1.183	50	20	DDGD	
CO[C@@H](C)CC(=O)NNC(=O)c1cccc(Br)c1	174536740	MAEHWAIDCMSLHF-QMMMGPOBSA-N	315.167	1.635	50	20	DDGD	
CC[C@@H]1CN(C(=O)NNC(=O)c2ccc(C#N)cc2)C[C@H](C)O1	111481883	VVTPGBWLFFSHRZ-SMDDNHRTSA-N	316.361	1.412	50	20	DDGD	
COC[C@H](C)OC(=O)/C(C#N)=C\c1cc(OC)c2c(c1)OCO2	211467404	KNEVLSXXIDAMOK-OQTVPUDGSA-N	319.313	1.909	50	20	DDGD	
CCCC[C@H](CC)CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1	117125876	ZWLZIRSBLYLIOZ-RYUDHWBXSA-N	318.439	1.175	50	20	DDGD	
COc1ccccc1/C(C)=C/C(=O)NNC(=O)[C@@H]1CCCO1	66614072	LKCGOTUKYPNOMI-VNDWYCCKSA-N	304.346	1.425	50	20	DDGD	
O=C(NC[C@H]1CCCO1)NNc1cccc(C(F)(F)F)n1	172465128	GWOGFNCKNHPOEZ-MRVPVSSYSA-N	304.272	1.906	50	20	DDGD	
O=C(NNC(=O)c1cccc2ncccc12)c1cc(C2CC2)[nH]n1	170952727	BAUKTJPSCSHTOX-UHFFFAOYSA-N	321.340	1.910	50	20	DDGD	
CCOC(=O)NNC(=O)c1cnn(-c2cccc(C)c2)c1C	29559929	PUNQZBQXOWUJEM-UHFFFAOYSA-N	302.334	1.880	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)cn1	173688505	OXNWGTZZEIRNEM-MAUKXSAKSA-N	324.384	1.475	50	20	DDGD	
COCc1c(C(=O)NNC(=O)[C@@H]2CCCO2)oc2ccccc12	32259227	XBIQTWVKFBXGCU-ZDUSSCGKSA-N	318.329	1.519	50	20	DDGD	
CCOc1ccc2cc(C(=O)NNC(=O)NC3CC3)[nH]c2c1	64427525	DBCKVERIWRACTQ-UHFFFAOYSA-N	302.334	1.673	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cnc(C)nc2C(C)C)[nH]n1	179663696	VOLABSKGHIBHHC-UHFFFAOYSA-N	302.338	1.015	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1F)N[C@@H]1CCOC1	178751695	DTTXWPMPNCZDOC-MRVPVSSYSA-N	301.705	1.212	50	20	DDGD	
CC(=O)N[C@@H](CC(=O)NNC(=O)NC(C)C)c1ccc(C)cc1	63270368	MDALZHGZSGDLNS-AWEZNQCLSA-N	320.393	1.301	50	20	DDGD	
COc1cc(Br)c(C=NNC(N)=O)cc1OC	252447821	PKDKPMDPQYTIAG-UHFFFAOYSA-N	302.128	1.469	50	20	DDGD	
C[C@@H](NS(=O)(=O)CBr)c1nnc2ccccn12	126682636	MJGACJNKKSCHFY-SSDOTTSWSA-N	319.184	1.062	50	20	DDGD	
Cc1csc(NC(=O)NNC(=O)Cc2ccc(F)cc2)n1	125682301	RCEDGZROVCCCKU-UHFFFAOYSA-N	308.338	1.986	50	20	DDGD	
CC(C)N(C)CCNC(=O)NNc1ncnc2ccsc12	121639863	FGZIBHDNHALEFS-UHFFFAOYSA-N	308.411	1.658	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)N[C@@H]1CCC[C@H]1CCO	188532097	PCEKWSYJBMJLAH-LSDHHAIUSA-N	319.405	1.501	50	20	DDGD	
Cc1cccc(OC[C@@H](C)NC(=O)NNc2cccnn2)c1	77349207	YPUNMJNEMLKZOG-GFCCVEGCSA-N	301.350	1.879	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNc1cccnn1)c1ccc(F)cc1	76979473	BRSJKYMTJSQSSB-CYBMUJFWSA-N	318.356	1.545	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc(F)c2C#N)c(O)c1	189026859	OFKNYBUKWBXCBO-UHFFFAOYSA-N	313.288	1.786	50	20	DDGD	
O=C(NNc1nc2ccccc2c(=O)[nH]1)c1cccnc1S	137134195	YDHIMYJFUOSLTQ-UHFFFAOYSA-N	313.342	1.364	50	20	DDGD	
C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)NC1CCCCC1	192776304	TXAAGAXFJFEGDM-JTQLQIEISA-N	312.414	1.200	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)[C@H]1CCCO1	132151937	DMPNHEAAWMNZOU-ZIAGYGMSSA-N	323.368	1.656	50	20	DDGD	
C#CCN1CCC(C(=O)NNc2cnc3ccccc3n2)CC1	193538579	DUZHJVRLKBKGDN-UHFFFAOYSA-N	309.373	1.418	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cccc([N+](=O)[O-])c1	46916654	DBMOTBMJOOVACR-UHFFFAOYSA-N	306.200	1.101	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2	192914902	OCIJDAOVNHJSCY-ZSAFCYILSA-N	308.422	1.901	50	20	DDGD	
C[S@](=O)c1ccc(C(=O)NNC(=O)NCc2ccco2)cc1	138953528	RGCCEBXIHDVLMK-JOCHJYFZSA-N	321.358	1.161	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1cccnc1N1CCCC1	194427279	JVAWTDUZUHQSDS-UHFFFAOYSA-N	314.349	1.476	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H]1CCC[C@H]1CCO	194882976	MJTOQRXAFAJNBZ-DVOXQEBHSA-N	300.358	1.966	50	20	DDGD	
O=C(NNC(=O)c1cnn2ccncc12)c1c[nH]c2ccccc12	195043423	VEJGLSFWBYRBQX-UHFFFAOYSA-N	320.312	1.285	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C)o2)cc1	194044099	ZQWVEBLHGVRYQM-UHFFFAOYSA-N	301.302	1.296	50	20	DDGD	
CC(C)Cc1ccc(CCC(=O)NNC(=O)C(C)(C)O)cc1	192932518	IPMBUTRMWZFXKZ-UHFFFAOYSA-N	306.406	1.736	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NC[C@H]2CCCCO2)cc1	144585030	VDCSDUQEPOFQHC-CYBMUJFWSA-N	302.334	1.071	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ncccn1)COCc1ccccc1	97258433	JNNRXFVEZIQONH-ZDUSSCGKSA-N	315.377	1.956	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@@H]1CC[C@H]2CCCC[C@H]2C1	245720974	PTCFPIBDAPVPJO-HZSPNIEDSA-N	309.410	1.666	50	20	DDGD	
Cc1c(NNC(=O)N[C@H](C)CCN(C)C)cccc1[N+](=O)[O-]	263969694	LWDRPFHJPODKIZ-SNVBAGLBSA-N	309.370	1.870	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CN1C(=O)CCc2ccccc21	264691584	CHOOUIUECVLYLK-UHFFFAOYSA-N	303.362	1.159	50	20	DDGD	
Cc1cc(F)c(S(=O)(=O)NNC(=O)CC(C)C)cc1F	268546100	FOJLIGJFQIBOAH-UHFFFAOYSA-N	306.334	1.629	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNc2nc(-c3cccnc3)no2)O1	268137850	NEIKMPXUWNAVHY-GHMZBOCLSA-N	303.322	1.532	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CCc1nc(C2CCCC2)no1	268461121	DVNQGMKTCACNNY-UHFFFAOYSA-N	308.382	1.853	50	20	DDGD	
CC[C@@H](C)NC(=O)CCNC(=O)NNc1ccc(Cl)nc1	266717907	JCZHWEALSLPUKX-SECBINFHSA-N	313.789	1.666	50	20	DDGD	
COC(=O)c1cc(OC(=O)[C@H]2CCCOC2)ccc1[N+](=O)[O-]	264809352	SEFZVRGJFIZIIB-VIFPVBQESA-N	309.274	1.713	50	20	DDGD	
CC(C)OC(=O)[C@H](C)CNC(=O)NNc1ccc(Cl)nc1	266796740	MUEGWTKTGMHKCN-SECBINFHSA-N	314.773	1.949	50	20	DDGD	
CS(=O)(=O)CCC(=O)NNc1cc(Cl)ccc1Cl	267885780	XNVCVGSAUDTYTL-UHFFFAOYSA-N	311.190	1.871	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H](C)[C@H]1CCCCO1	272030463	ZJMYZZYTQRVWEM-WCQYABFASA-N	321.377	1.597	50	20	DDGD	
COCCOc1cc(OC)ccc1C(=O)NNc1cnccn1	276543221	OCPSMGNQGRIHRQ-UHFFFAOYSA-N	318.333	1.267	50	20	DDGD	
CCCc1ccc(N2C[C@H](C(=O)NNC(=O)OC)CC2=O)cc1	274169826	AUIWYRDKBNKVFJ-GFCCVEGCSA-N	319.361	1.379	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)Nc1cccc(Cl)c1F	274117641	RXLGRBNWBKGQRV-UHFFFAOYSA-N	313.716	1.365	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2[nH]ncc2C1)c1ccccc1F	270161092	YQMPTWSBBHSJIA-VIFPVBQESA-N	302.309	1.115	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)[C@@H](F)C(F)(F)F	364333407	UBAAHTDANIFDBA-ZCFIWIBFSA-N	305.191	1.475	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1ccc(OC(C)C)cc1	275509596	SLHYAFSVXOOJCV-UHFFFAOYSA-N	315.395	1.328	50	20	DDGD	
COc1ccc(CNC(=O)NNc2nc(C)cc(OC)n2)nc1	278430510	TXAYSZUADMVPTA-UHFFFAOYSA-N	318.337	1.024	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cccc([C@H]2CCOC2)c1	270463004	JVRINIQUQUKELH-AWEZNQCLSA-N	321.377	1.171	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNC(=O)C2CC2)c(Cl)cc1F	287842903	BWJVMUJULMMFMW-UHFFFAOYSA-N	313.716	1.283	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@H]2CCOC[C@@H]2C)s1	286972242	RVRLWCUBLPQBEF-ONGXEEELSA-N	311.407	1.673	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCOCC(F)(F)C1	289018496	UZNDPYQSOABMIF-UHFFFAOYSA-N	321.755	1.846	50	20	DDGD	
CCC(CC)[C@H](C(=O)NNc1cccc(F)n1)N1CCOCC1	286710169	ZDCFPPSSUYUUDW-OAHLLOKOSA-N	324.400	1.801	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNC(=O)Nc1cccc(Cl)c1	283652445	DJUNUFOLKJBUOI-ZETCQYMHSA-N	314.729	1.237	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	281085308	GKNUNELYISDZPK-UHFFFAOYSA-N	315.373	1.439	50	20	DDGD	
C=CC[C@H](CC)NC(=O)NNC(=O)COc1ccccc1O	281425450	RCULTCZFVYVANM-NSHDSACASA-N	307.350	1.456	50	20	DDGD	
CC1(C)C[C@H]1NC(=O)NNC(=O)COc1ccccc1C#N	299095674	VTARUAJBBPSMSK-GFCCVEGCSA-N	302.334	1.066	50	20	DDGD	
O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)NNC(=O)CC1CC1	294139442	LMOFMEAXBQKIFF-UHFFFAOYSA-N	316.361	1.126	50	20	DDGD	
Cc1oc(C#N)cc1C(=O)NNc1ccc(-n2ccnc2)nn1	804955263	WFPBVEDSXCZPKZ-UHFFFAOYSA-N	309.289	1.192	50	20	DDGD	
CN1C(=O)Cc2cc(-c3csc(NNC(N)=O)n3)ccc21	800722147	XEPHGCNYHTUNKY-UHFFFAOYSA-N	303.347	1.324	50	20	DDGD	
C[C@](O)(CC(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccc1	295771344	RJGKRBJVRYDDNZ-BBRMVZONSA-N	306.362	1.001	50	20	DDGD	
CC(C)C[C@@H]1C[C@@H](NC(=O)NNc2ncncc2F)CCO1	293075281	QVFUVHIKKJAVPS-WDEREUQCSA-N	311.361	1.836	50	20	DDGD	
C[C@H](NC(=O)c1ccco1)C(=O)NN(C)C(=O)OC(C)(C)C	297758112	SVQRHUNYSIYOEI-VIFPVBQESA-N	311.338	1.296	50	20	DDGD	
CSSCCNC(=O)NCCCN1CCCO[C@H](C)C1	807180697	LGYDAOHATSLKGR-GFCCVEGCSA-N	321.512	1.798	50	20	DDGD	
Cc1cccc2[nH]cc(CC(=O)NNC(=O)N=c3cc[nH]cc3)c12	802025362	CJZBNXQBZBEQOM-UHFFFAOYSA-N	323.356	1.689	50	20	DDGD	
O=C(C[C@H]1CCCOC1)NNc1ccc2c(=O)[nH]ccc2c1	803439918	NLFMBLGEWCSRBS-LLVKDONJSA-N	301.346	1.788	50	20	DDGD	
COc1ccnc(NNC(=O)c2cncc(C(F)(F)F)c2)n1	809601533	FKIXUWXAWBUUOO-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCS1)Nc1ccc2c(c1)OCO2	802099589	UJFIIDJGTFSRIP-LBPRGKRZSA-N	323.374	1.854	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)Nc1nc(C)n(C)n1	297266587	DAAQAGGUIUMJCO-UHFFFAOYSA-N	305.298	1.489	50	20	DDGD	
CN1C(=O)CC[C@@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	807122348	XGQHRIRYVYUVDS-SNVBAGLBSA-N	312.713	1.312	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(C(C)C)oc1C	803718167	MCTVMZQGFJUTKL-SNVBAGLBSA-N	310.350	1.814	50	20	DDGD	
CSSCCNC(=O)N(C)[C@H](C)CN1CCOCC1	807230566	HAPMGJZXNKBHGD-LLVKDONJSA-N	307.485	1.360	50	20	DDGD	
O=C(NNc1ncncc1Cl)Nc1cccc2c1COC2=O	808913641	YNAYWPCQVZNTEB-UHFFFAOYSA-N	319.708	1.949	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc(N2CCOC2=O)cc1	294113246	JXORRQFAIDMVGT-UHFFFAOYSA-N	303.318	1.204	50	20	DDGD	
CC[S@@](=O)CC(=O)NNc1nc2ccc(OC)cc2cc1C	295144130	ZZPDZCSXHRUXRQ-JOCHJYFZSA-N	321.402	1.764	50	20	DDGD	
COc1ccc2c(c1)C[C@@H](C(=O)NNc1ccncn1)CO2	295452027	LGIRWZVVOHDVRC-LLVKDONJSA-N	300.318	1.180	50	20	DDGD	
Cc1cn(-c2ccc(F)cc2)nc1C(=O)NNC(=O)C(C)C	801082335	PIYKECPMYGUSDN-UHFFFAOYSA-N	304.325	1.737	50	20	DDGD	
O=C(O)CCCCCNC(=O)NNc1ccc(Cl)nn1	819401246	MKTYVTKQOXEIOD-UHFFFAOYSA-N	301.734	1.401	50	20	DDGD	
CNC(=O)NCCC(=O)NNc1cccc(C(F)(F)F)c1	815850725	ZRSOUDYBACPKCR-UHFFFAOYSA-N	304.272	1.468	50	20	DDGD	
Cc1nn(C)c(NC(=O)C(=O)NNc2cccc(Cl)n2)c1C	815727506	AVEUBOZLRKARST-UHFFFAOYSA-N	322.756	1.167	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1CCCc2nn[nH]c21	816918412	ZVYKJAAGNFTPRH-MRVPVSSYSA-N	302.294	1.276	50	20	DDGD	
CCC[C@@H](C)C(=O)NCCNC(=O)NNc1ccc(F)cn1	814433950	UOESMXQOZVTHPG-SNVBAGLBSA-N	311.361	1.399	50	20	DDGD	
CC(C)[C@@H](F)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	812730268	BRKXOWGAGMRAEP-GFCCVEGCSA-N	317.386	1.374	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NN=Cc2snnc2C)c1	814213591	OUKINBFWFIPAKS-UHFFFAOYSA-N	304.375	1.992	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@]1(C)CC1(F)F	817512340	APZDHLBDDYUUSC-ISVAXAHUSA-N	316.279	1.786	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(C#N)cc(N(C)C)c2)nc1	816332117	HPRHNHFNNCFWCY-UHFFFAOYSA-N	311.345	1.785	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2cccc(Cl)n2)cn1	815727582	DTXRFFZXTAPTAD-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@]1(C)CC1(F)F	817707296	IPGBYAMXIYVQGN-AWEZNQCLSA-N	312.316	1.821	50	20	DDGD	
O=C(CCc1cncs1)NNC(=O)c1cccc([N+](=O)[O-])c1	814358478	PBQWVVONCWYWSF-UHFFFAOYSA-N	320.330	1.445	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1cccc([N+](=O)[O-])c1C	814955580	MWNHYJPDXXBOGV-UHFFFAOYSA-N	301.306	1.709	50	20	DDGD	
CC(C)(CNC(=O)[C@@H](Br)C(C)(C)C)OCCO	813841926	ZDCRCWZWYSWEOO-SECBINFHSA-N	310.232	1.700	50	20	DDGD	
COc1ccc(NCC(=O)NN=C(C)Cn2cccn2)cc1	814709082	ZBAKFTOOBVOTKJ-UHFFFAOYSA-N	301.350	1.496	50	20	DDGD	
COc1cc(Cl)cc(C(=O)NNC(=O)c2ccncc2)c1	814184735	BLQMYQBLBLMDBN-UHFFFAOYSA-N	305.721	1.818	50	20	DDGD	
Cn1ncc(C=NNC(=O)Nc2ccc(OC(F)F)cc2)c1N	814857016	QHWWRMBNASDNRV-UHFFFAOYSA-N	324.291	1.759	50	20	DDGD	
N#C[C@H]1CC[C@@H](NC(=O)NNc2ccc3c(=O)[nH]ccc3c2)C1	824778376	QMQMQISIOWJLHK-CMPLNLGQSA-N	311.345	1.846	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cc1ccc(Cl)cc1	822212403	PABDEYCNPLDSTO-OLZOCXBDSA-N	308.765	1.621	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H](C)OCCc1ccccc1	822777259	BIYGLTRRYYHQPK-ZDUSSCGKSA-N	307.394	1.765	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cn(-c2ccccc2)nc1C	726530714	QCVPWXFYHHFSMT-UHFFFAOYSA-N	301.350	1.535	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)nc(N)n1	828367863	XSDAPUMSYYKVAJ-DTWKUNHWSA-N	319.315	1.892	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C	493152241	BJWADCANGVJPLJ-LLVKDONJSA-N	315.414	1.683	50	20	DDGD	
CCN(CC(=O)NNC(=O)C(C)C)[C@@H](C)c1ccc(C#N)cc1	827484062	OJZQNIACFWPWKS-ZDUSSCGKSA-N	316.405	1.745	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@@]2(O)CCCC2(C)C)cn1	491044811	DCKKKWLOBYLRHP-UDYBNVKDSA-N	302.378	1.384	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1	823965505	NYUIKLNMBLZSPK-GOEBONIOSA-N	305.422	1.242	50	20	DDGD	
CCO/C=C/C(=O)NNC(=S)Nc1ccc(OCC)cc1	493199106	MVBYCLWLYLMEDC-MDZDMXLPSA-N	309.391	1.953	50	20	DDGD	
CCN(CC(=O)Nc1cccc(OC)c1)S(=O)(=O)CCl	820784271	HGQLCUANKNYYPH-UHFFFAOYSA-N	320.798	1.482	50	20	DDGD	
COc1cccc([C@H](OC)C(=O)NNC(=O)C2CCCC2)c1	821750777	QDMVTTRBPMELPK-AWEZNQCLSA-N	306.362	1.720	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(C)nc2c1cnn2C(C)C	823841915	MRZASIDZWVLCMP-UHFFFAOYSA-N	305.382	1.280	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C2(C(=O)C3CC3)CC2)cc1	822202838	SEKPLLNYHGDZOX-UHFFFAOYSA-N	316.357	1.281	50	20	DDGD	
CC(=O)NC[C@H](CC(=O)NNc1nc(C)cc(C)n1)CC(C)C	822342588	XCIDQKDMFQZOCS-AWEZNQCLSA-N	321.425	1.725	50	20	DDGD	
OB(O)c1ccc(CN[C@H](c2ccc(F)cc2)C2CC2)c(F)c1	585024358	VESLTKUUQYTIML-KRWDZBQOSA-N	317.144	1.886	50	20	DDGD	
OB(O)c1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1	585014514	UKXUZMYUMUIFNQ-UHFFFAOYSA-N	324.233	1.121	50	20	DDGD	
CCOCC(=O)NN=C(C)c1cccc(N2CCOC2=O)c1	491282337	LOSXZTSZYDZKPR-UHFFFAOYSA-N	305.334	1.520	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CC2CC(F)(F)C2)c1	823513412	MJQXLZRIMRXTRW-UHFFFAOYSA-N	312.316	1.957	50	20	DDGD	
O=C(NN=C1C[C@@]2(CCOC2)Oc2ccccc21)c1ncon1	901287390	TUYLFFJHWHFHHN-OAHLLOKOSA-N	314.301	1.145	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1	491081529	GRNCIBCBBQZPIK-NKOKHLRHSA-N	308.337	1.711	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1cccc(N(C)C)c1	826035805	JFBDQUONRFUWGD-FZMZJTMJSA-N	320.393	1.008	50	20	DDGD	
CCN(CCO)NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1	823856451	RYFXGTVYMPPNDC-UHFFFAOYSA-N	323.780	1.883	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccccc1OCCn1ccnc1	496279471	ZLJBBQZCZAITQW-UHFFFAOYSA-N	319.321	1.355	50	20	DDGD	
CNc1ccc(C(=O)NNc2cc(C)ncn2)cc1[N+](=O)[O-]	734253951	BKCSXAULQCNLFD-UHFFFAOYSA-N	302.294	1.492	50	20	DDGD	
COc1cccc2c1OCC[C@H]2NC(=O)NNc1ccncn1	836269466	ZZBAVCXHKUQYQU-LLVKDONJSA-N	315.333	1.635	50	20	DDGD	
NC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ccc(OC(F)(F)F)cc1	901164267	CQEPOFCIMUDXJY-BDAKNGLRSA-N	303.240	1.150	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2cccc3cccnc23)CCCCO1	837377259	QKLOYZITJUQJJK-KRWDZBQOSA-N	313.357	1.955	50	20	DDGD	
COCCNC(=O)NNC(=O)Nc1cc(OC)ccc1Cl	837310681	GOEAJBJCXLWPHW-UHFFFAOYSA-N	316.745	1.331	50	20	DDGD	
O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1ccc(B(O)O)c(F)c1	584949834	AAKHCBGMNASDGO-NTZNESFSSA-N	305.158	1.204	50	20	DDGD	
COc1cccc2c1CC[C@@H]2NCc1ccc(B(O)O)cc1F	585029128	VVGNPMOCZSDOCH-INIZCTEOSA-N	315.153	1.291	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCOC(C)C)c1F	838550617	MTKHMGHRVHWVAS-UHFFFAOYSA-N	313.329	1.663	50	20	DDGD	
COCCCN(CCOC)C(=O)[C@@]1(C)C[C@@H]1Br	906356731	ROYVMCHSWJPSDC-JQWIXIFHSA-N	308.216	1.671	50	20	DDGD	
O=C(c1ccc(-c2ccccc2)nc1O)N1CC[C@H](B(O)O)C1	585076968	OXBLLOWLXRVEMY-LBPRGKRZSA-N	312.134	1.143	50	20	DDGD	
C[C@H]1CCc2c(F)cccc2[C@@H]1NCc1ccccc1B(O)O	585026906	UAIOZVYEGAIBRY-KPZWWZAWSA-N	313.181	1.919	50	20	DDGD	
O=C(NCCC[C@@H]1CCOC1)NNC(=O)c1ccccc1F	836429262	PJEHUZAHKNOPNT-LLVKDONJSA-N	309.341	1.586	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2cccc(C(=O)O)c2)CN1C1CC1	833600549	LSIJQMHLDWDULM-GXFFZTMASA-N	318.377	1.636	50	20	DDGD	
COc1ncccc1C(=O)NNC(=O)COc1cccc(C)c1	906289821	QBWZCJVIKBXTDZ-UHFFFAOYSA-N	315.329	1.239	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2CCc3c(Cl)cccc32)c1	585020155	OGPHOWSZRFEAHO-MRXNPFEDSA-N	301.582	1.797	50	20	DDGD	
CCCN(Cc1ccc(F)cc1)[C@H](C)C(=O)NNC(=O)CC	732199648	LGJIUPVBVUXSND-GFCCVEGCSA-N	309.385	1.984	50	20	DDGD	
CC(C)(C)c1nc(CC(=O)Nc2cccc(B(O)O)c2)cs1	584911711	XLWVHYFGFUIEBD-UHFFFAOYSA-N	318.207	1.302	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC[C@H](C)N(C)C)c1ccccc1	836622922	JHPRYBOYFGKLOS-GXTWGEPZSA-N	306.410	1.461	50	20	DDGD	
CC(=O)N(c1nc(C=NNC(=O)NCC2CC2)cs1)C1CC1	734295427	AZPCLYGVCWPAQI-UHFFFAOYSA-N	321.406	1.702	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1)N(C)C	836622667	VMUFYFGTAIYAHO-LBPRGKRZSA-N	320.437	1.878	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@H](c1ccccc1)N1CCSCC1	910170160	ZKAABEZLNYEWRV-UKRRQHHQSA-N	323.462	1.120	50	20	DDGD	
CCc1cc(N2CCC[C@H](NS(=O)(=O)CCl)C2)ncn1	830488500	WDEYEPDLKDPMIZ-NSHDSACASA-N	318.830	1.124	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2ccc3ccccc3n2)CCCCO1	837303930	BBZPNWXVOZYIBU-QGZVFWFLSA-N	313.357	1.955	50	20	DDGD	
O=C(CN1CC[C@H](C2CCC2)C1)NNC(=O)c1ccc(F)cc1	839675621	HGRYDLQDIKIHEL-AWEZNQCLSA-N	319.380	1.709	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)[C@H]1CCc2ncncc2C1	843892085	AVARHBBPVOZMCV-VIFPVBQESA-N	303.753	1.773	50	20	DDGD	
O=C(NCCOc1ccccc1F)NNC(=O)C1CCCC1	915889525	GHIPXDZGKPJNCF-UHFFFAOYSA-N	309.341	1.725	50	20	DDGD	
Cc1occc1-c1cc(NC(=O)NNC(=O)CCCN)no1	841220038	CMBPCFPXACHJPG-UHFFFAOYSA-N	307.310	1.135	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CNc2ccc(C#N)cc2)n1	747980416	PPWSQZZVJDGOBZ-UHFFFAOYSA-N	316.752	1.865	50	20	DDGD	
CCN(CCO)NC(=O)[C@H](CC1CC1)NC(=O)OC(C)(C)C	911438053	DVVUOVWUKALMEU-LBPRGKRZSA-N	315.414	1.025	50	20	DDGD	
CS[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	845334296	RJUIFVVBMIRDQV-DDHJBXDOSA-N	315.439	1.416	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccc2c(c1)CCO2	918707352	ZFCSAQJMDZVQNT-UHFFFAOYSA-N	303.240	1.128	50	20	DDGD	
Cc1c(C(=O)NN(C)C[C@@H](C)O)cnn1-c1ccccc1F	910175500	PVXNSJMZADFCRM-SNVBAGLBSA-N	306.341	1.277	50	20	DDGD	
COc1ccc(C=NNC(=O)Cc2csc(C)n2)c(O)c1	914691310	BKXNSGXITJGWAX-UHFFFAOYSA-N	305.359	1.859	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1C#N)c1cc2n(n1)CCC2	841608816	MJYNYFPNESQMOF-UHFFFAOYSA-N	323.356	1.620	50	20	DDGD	
CC(C)CONC(=O)NNc1ncc(Br)cn1	847342118	URCUEMAKQZDCNW-UHFFFAOYSA-N	304.148	1.453	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)cc2s1	843658252	UCBDMPJJVUEUGW-KWQFWETISA-N	319.386	1.791	50	20	DDGD	
CNC(=O)NNS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2	919962814	JXDMKWCWHFNHAV-UHFFFAOYSA-N	317.370	1.380	50	20	DDGD	
C=C[C@H](CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccccc1	843658068	DNQXCWZAQXNCQB-UMVBOHGHSA-N	302.374	1.919	50	20	DDGD	
O=C(CCCn1cccc1)NNc1ncc(Br)cn1	848321411	RRCGYPHDWHKOLS-UHFFFAOYSA-N	324.182	1.964	50	20	DDGD	
C[C@@H](COCC(=O)NNC(=O)c1ccc[nH]1)c1ccccc1	845106692	JWOYLRCAVDJFEE-LBPRGKRZSA-N	301.346	1.596	50	20	DDGD	
COCc1ccc(C=NNC(=O)c2sc(N)nc2C)cc1	741761660	AURFARKXHRKBQH-UHFFFAOYSA-N	304.375	1.944	50	20	DDGD	
CSc1cc(C(=O)NNc2ccnc(N(C)C)n2)ccn1	740112435	IRFNCJCYMQTPMD-UHFFFAOYSA-N	304.379	1.416	50	20	DDGD	
CSc1ccc(C)c(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	843643297	LZTBATJAYOWYFS-CMPLNLGQSA-N	308.403	1.903	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H](c1ccccc1)N1CCSCC1	910170157	ZKAABEZLNYEWRV-DZGCQCFKSA-N	323.462	1.120	50	20	DDGD	
Cc1ccc2cccc(C(=O)NNc3nnc(C)c(O)n3)c2n1	741282970	DKTSZGGMRVRGPX-UHFFFAOYSA-N	310.317	1.499	50	20	DDGD	
CC(C)c1nn(C)cc1C(=O)NNC(=O)CCc1ccccc1	749798762	IZWPQYXRQQPIEA-UHFFFAOYSA-N	314.389	1.937	50	20	DDGD	
Cc1ncc(C=NNC(=O)[C@H]2COc3ccccc3O2)s1	917534339	HNZCXWVYWNCQOY-CYBMUJFWSA-N	303.343	1.742	50	20	DDGD	
CC[C@H](C)C[C@H](C)NC(=O)NNC(=O)[C@H](C)OCCOC	748636641	UMARMTLECXSQLL-SRVKXCTJSA-N	303.403	1.193	50	20	DDGD	
CCCN(C)c1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	843648817	RURRJDDQKDHRRP-IUODEOHRSA-N	319.405	1.719	50	20	DDGD	
Cc1nn(C)c2sc(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)cc12	843642976	LARMRAACOKWBLV-RKDXNWHRSA-N	322.390	1.129	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cccc(OCC#N)c1	915951527	FGVYGKXAHDXSPI-UHFFFAOYSA-N	302.378	1.771	50	20	DDGD	
O=C(NNC(=O)[C@@H]1Cc2ccccc21)[C@@H]1COc2ccccc2O1	740738976	WLZJXHPNPLLOMA-CJNGLKHVSA-N	324.336	1.314	50	20	DDGD	
COCCn1ccc(C(=O)NNc2ccc(F)cc2OC)n1	846641419	DRZHYVUWWHHCRL-UHFFFAOYSA-N	308.313	1.434	50	20	DDGD	
CC[C@H](C)Oc1cccc(S(=O)(=O)NNC(=O)N(C)C)c1	849307241	MRPRGRBDZMAIGN-JTQLQIEISA-N	315.395	1.328	50	20	DDGD	
CCCOc1cc(C=NNC(=O)C(=O)NC(C)C)ccc1OC	744817668	LYHQKRICDVCMRA-UHFFFAOYSA-N	321.377	1.459	50	20	DDGD	
CC(C)Oc1ccccc1CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843649591	VVGNCIPYDZIUBC-GXTWGEPZSA-N	320.389	1.589	50	20	DDGD	
CC1=NO[C@H](CNC(=O)NNc2c(F)cc(F)cc2F)C1	923527756	PZEMVQPIMYKULF-QMMMGPOBSA-N	302.256	1.895	50	20	DDGD	
Cn1cccc1CNC(=O)NC[C@@]1(C)C[C@H]1Br	856837492	MLLTUESTRWJUNV-ZYHUDNBSSA-N	300.200	1.998	50	20	DDGD	
O=C(NN=C1CCCS(=O)(=O)C1)c1cccc(Cl)n1	853411384	KGTRHUOBJSMCST-UHFFFAOYSA-N	301.755	1.029	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cnc2n1CCCCC2	857718561	NPBGJDVHEOQPBR-UHFFFAOYSA-N	319.287	1.116	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H]1CCCC1(C)C	854283819	MAQNGCSGAHMMQY-NSHDSACASA-N	301.456	1.687	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cn(C)nc1-c1cccs1	854922594	CVKQNXVAKHFAQG-UHFFFAOYSA-N	309.420	1.230	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](C)[C@@H](C)N2CCOCC2)cc1F	853687210	MGNNHYBOTWXXQQ-CHWSQXEVSA-N	324.400	1.869	50	20	DDGD	
CCS[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1cn[nH]c1	858273497	ZTLORAZBMGLRKS-GHMZBOCLSA-N	311.411	1.418	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccc3nc[nH]c3n2)c1	756185983	DZKSIVMCQSMABN-UHFFFAOYSA-N	311.301	1.501	50	20	DDGD	
CN1CCc2ccc(NC(=O)NNC(=O)c3cccnc3)cc21	757917573	JQVMPGQOKPJYHN-UHFFFAOYSA-N	311.345	1.540	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccc3c(c2)C[C@H](C)O3)nn1	926455531	HTGYJKCTEOPQGJ-NSHDSACASA-N	313.361	1.935	50	20	DDGD	
CC(=NNC(=O)CSc1nc(C)cc(C)n1)c1cnn(C)c1	920825836	JTDZXDTYKQUQHE-UHFFFAOYSA-N	318.406	1.459	50	20	DDGD	
CCC(=NNC(=O)N1CCOCC1)c1ccc(N(C)C)cc1	759195740	GQANHLUDUBOZTG-UHFFFAOYSA-N	304.394	1.909	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)C(C)(C)C)c1cscn1	853407122	GRIPKYBXMPMODU-UHFFFAOYSA-N	310.423	1.926	50	20	DDGD	
COCc1csc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c1	853391449	MQDYXBVCFXYQAG-OCCSQVGLSA-N	323.418	1.208	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CC2CCN(C)CC2)c1C	855624574	BWCULXQIGIHEFT-UHFFFAOYSA-N	319.405	1.957	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNC(=O)C2CCCC2)ccc1F	756057728	YZKAAQOYGUTWKJ-UHFFFAOYSA-N	323.324	1.955	50	20	DDGD	
CCCn1cc(NC(=O)C(=O)NNc2ccc(C)c(F)c2)cn1	850704525	GTFSBPBMWKOUQE-UHFFFAOYSA-N	319.340	1.822	50	20	DDGD	
CCOC(=O)[C@@H](CC(=O)NNc1ccc(Cl)cn1)C(C)=O	856091769	JKBMIJOGVALECR-JTQLQIEISA-N	313.741	1.337	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)C	854928137	XWIKZECQVFLTBV-JTQLQIEISA-N	316.471	1.031	50	20	DDGD	
CO[C@H](C(=O)NC[C@@]1(C)C[C@H]1Br)c1cnn(C)c1	857387810	NAMNBRWFCCFPHR-JFGNBEQYSA-N	316.199	1.397	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2cnc3ccccn23)cc1	755505862	VVYQSYLUEROLRW-UHFFFAOYSA-N	324.340	1.872	50	20	DDGD	
Cn1cnc2cc(C(=O)NNC(=O)c3ccccc3F)ccc21	752993084	OBGYTHKJGXAPEN-UHFFFAOYSA-N	312.304	1.787	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1c[nH]c2cc(F)c(F)cc2c1=O	932515721	KIWZOAYFPPNTBK-UHFFFAOYSA-N	321.283	1.367	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N[C@H](c1ccccn1)C1CC1	932382280	QSICDJHMBBMATP-LRDDRELGSA-N	318.421	1.704	50	20	DDGD	
Cc1cc(C)n(CC(=O)N(C)NC(=O)OCc2ccccc2)n1	862285090	KLUFOSJCDNMXSK-UHFFFAOYSA-N	316.361	1.800	50	20	DDGD	
O=C(Cc1ccc(O)cc1)NCC(=O)NNc1ccc(F)cc1	765368005	NCKVGMXNVNRHEP-UHFFFAOYSA-N	317.320	1.333	50	20	DDGD	
O=C(Cn1nc(C(F)F)cc1C(F)F)NNc1cccnn1	935342955	LBYCEGIFSBZIIV-UHFFFAOYSA-N	318.234	1.692	50	20	DDGD	
CC(C)N1CCC[C@@H]1C(=O)NNc1nc(-c2cccnc2)no1	932466428	ARJMHTMLPMTENC-GFCCVEGCSA-N	316.365	1.448	50	20	DDGD	
Cc1cc(C(=O)NN[C@H](C)C(F)(F)F)nc(C(F)(F)F)n1	862319120	XLVDNOSIXAPJKU-RXMQYKEDSA-N	316.205	1.989	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1cccc(N(C)C(C)C)c1	763830790	AOEGFDVRDXRUAR-UHFFFAOYSA-N	320.393	1.273	50	20	DDGD	
O=C(COCc1ccccn1)NNCC(F)(F)C(F)(F)F	863099936	QZDCZHMWWHIVMW-UHFFFAOYSA-N	313.226	1.417	50	20	DDGD	
CCc1cc(C(=O)OC)ccc1NC(=O)NN(C)C(=O)OC	932811170	SIDFLMREVNPMEQ-UHFFFAOYSA-N	309.322	1.770	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C(=O)N1CCC(C)CC1	767815221	QYAVYXMHQPACLC-UHFFFAOYSA-N	322.317	1.767	50	20	DDGD	
CCOC(=O)N1CSC[C@H]1C(=O)NCCCSC#N	935843218	LYYZHUDEVRZFRP-VIFPVBQESA-N	303.409	1.238	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1cnn(CC2CC2)c1	867422526	NFTHGXXFYXKESZ-UHFFFAOYSA-N	308.345	1.993	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)Cc1cc(=O)n(CC(C)C)[nH]1	935448764	RIIQTVJWFIFRLC-UHFFFAOYSA-N	320.368	1.966	50	20	DDGD	
C[C@H](OCc1ccncc1)C(=O)NNC(=O)OCC(F)(F)F	869281976	SLUBOXVNUFEAFE-QMMMGPOBSA-N	321.255	1.306	50	20	DDGD	
CCCNC(=O)c1cccc(NCc2cccc(B(O)O)c2)c1	864026664	WQDUEGYKDFGXHL-UHFFFAOYSA-N	312.178	1.118	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1CCC(=NNC(=O)c2ncccn2)C1	863120202	MNXAYUMBWZLXNJ-SNVBAGLBSA-N	319.365	1.640	50	20	DDGD	
C[C@H](CC#N)Sc1ccccc1NC(=O)NNC(=O)CCO	1116635645	GQIHJXYMUMNBES-SNVBAGLBSA-N	322.390	1.616	50	20	DDGD	
Cn1ccc(CCNC(=O)[C@H](Br)C(C)(C)C)n1	768450075	UNGTWDARTAIHOP-JTQLQIEISA-N	302.216	1.888	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)CCCn1cncn1	862287323	LQDHKLDGZZXFFA-UHFFFAOYSA-N	317.349	1.358	50	20	DDGD	
Cc1ccc(C)c2c1OCCC2=NNC(=O)C[n+]1ccccc1	1115892762	LKVQRFPBTOLQBG-UHFFFAOYSA-O	310.377	1.894	50	20	DDGD	
CN(C)C(=O)NN=Cc1ccc(OCCN2CCOCC2)cc1	872346373	RTFKQTALCPCSCO-UHFFFAOYSA-N	320.393	1.003	50	20	DDGD	
COc1ccc(C=NNC(=O)C(C)(C)O)cc1Cn1cccn1	872367769	HCAAWWNWANGXCJ-UHFFFAOYSA-N	316.361	1.161	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccccn2)cc1Cl	777767430	JFAPLHLNHSJVHZ-UHFFFAOYSA-N	300.705	1.681	50	20	DDGD	
CC[C@H](CNC(=O)NN(C)C(=O)OC)Oc1ccccc1F	875345010	NYZFFUMQXSFEQL-SNVBAGLBSA-N	313.329	1.896	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1c(C)cccc1[N+](=O)[O-]	771913176	JYLOPWYOIWPXNZ-VIFPVBQESA-N	323.305	1.006	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](C)c2cnccc2C)o1	771436827	AYZCFDBAHGVIBA-NSHDSACASA-N	302.334	1.997	50	20	DDGD	
CC1=C(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)CCCO1	772218465	OTIOJXCYVDGWLJ-NSHDSACASA-N	312.366	1.196	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccc(C#N)cc2)ccc2cncn12	1116528237	TWODLXNDBYESTH-UHFFFAOYSA-N	319.324	1.589	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=S)NCC1CCC1	1118775846	JTJDELSEIUHCNW-GRYCIOLGSA-N	312.483	1.543	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc2c(c1)CCC(=O)N2C	774366444	KJPLINMTARPURH-UHFFFAOYSA-N	318.377	1.265	50	20	DDGD	
O=C(CCCOC1CCOCC1)NNc1ccc(Cl)nn1	878886772	OUKFRWLMKUEYPJ-UHFFFAOYSA-N	314.773	1.549	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccc3nc[nH]c3n2)cc1	770550230	RTQUZBMKMCPQSO-UHFFFAOYSA-N	324.344	1.139	50	20	DDGD	
O=C(NNc1ncccn1)C(=O)Nc1ccc(-c2ccc[nH]2)cc1	773716918	QEZIEIAHVDGZID-UHFFFAOYSA-N	322.328	1.554	50	20	DDGD	
CCCCn1ncc(NC(=O)NNC(=O)C2CCOCC2)c1C	878989387	VORGXQLQDFCQKK-UHFFFAOYSA-N	323.397	1.571	50	20	DDGD	
C[C@]1(CNC(=O)C2(O)Cc3ccccc3C2)C[C@@H]1Br	1118845322	WJVOGRMDPNKGAR-GXTWGEPZSA-N	324.218	1.806	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N[C@@H](CO)C1CC1)c1ccccc1	778660932	DMDPUVPDQUWGHX-ZDUSSCGKSA-N	305.378	1.066	50	20	DDGD	
N#Cc1cccc(C2(C(=O)NNC(=O)Cc3cccnc3)CC2)c1	1116322558	HRPJSEUIXGSZOD-UHFFFAOYSA-N	320.352	1.375	50	20	DDGD	
N[C@H]1CCCN(Cc2cn(/C=C/CBr)nn2)C1	887442414	FTHFLRQEHCJMMW-LFKJVQOCSA-N	300.204	1.067	50	20	DDGD	
COc1cccc(C2(C(=O)NNC(=O)C3CCOCC3)CC2)c1	883070691	ZSAUPYYMFWAWMR-UHFFFAOYSA-N	318.373	1.301	50	20	DDGD	
O=C(COC(=O)C[C@@H]1C=CCCC1)NNC(=O)c1ccccc1	778397383	BXPRVOVWDLNNCD-CYBMUJFWSA-N	316.357	1.737	50	20	DDGD	
CC(C)[C@@H]1C[C@H](CC(=O)NNC(=O)C2CCOCC2)CCO1	883068230	MKSLRBKZYGOMKY-OCCSQVGLSA-N	312.410	1.402	50	20	DDGD	
CC(C)[C@H]1CC(=NNC(=O)CNC(=O)c2ccco2)CCO1	776766226	IJQMDNRCTYBEGB-CYBMUJFWSA-N	307.350	1.317	50	20	DDGD	
C[C@@]1(CNC(=O)N2C[C@H]3[C@@H](O)CC[C@H]3C2)C[C@H]1Br	889410746	AWOPFFLANXACTL-UGCHFJIKSA-N	317.227	1.572	50	20	DDGD	
CC(C)(C#N)CNC(=O)NNc1ccccc1S(C)(=O)=O	781954050	QKNYZAWUKYSNGG-UHFFFAOYSA-N	310.379	1.266	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNC(=O)c1ccc(C)c(O)c1	882049699	ZUFRWSRFFRNMEA-UHFFFAOYSA-N	321.377	1.110	50	20	DDGD	
C[C@H](Cc1ccccc1)NC(=S)NNC(=O)c1ccccn1	786055857	MARLZBAHCGDYQP-GFCCVEGCSA-N	314.414	1.822	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NC[C@@H]1CCC=CO1)c1ccccc1	780733726	IIDCNQVKJPLYFW-AWEZNQCLSA-N	317.389	1.987	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)CCc1ccccc1O)C(F)F	881015477	YKFRUVOLLSXZRN-JTQLQIEISA-N	315.320	1.699	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCC(=O)NCCOc1ccccc1	786678243	PVDQALZOYKQTQI-UVTDQMKNSA-N	314.341	1.585	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1C[C@@H](Oc2ccccc2)C1(C)C	788980638	KYSKZCIDEPHVBD-CQSZACIVSA-N	317.389	1.861	50	20	DDGD	
O=C(NNC(=O)N1CCc2ncsc2C1)c1ccccc1	782545385	HYRGZQNHBXNBSI-UHFFFAOYSA-N	302.359	1.556	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C1CCC1)[C@@H]1CCCN(C2CCC2)C1	781403166	WQVXNNJDVUYHFG-TZMCWYRMSA-N	322.453	1.770	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCCOc1ccc2c(c1)OCO2	780707895	BRPFONHTZWGLDT-UHFFFAOYSA-N	323.349	1.267	50	20	DDGD	
CC(=O)OCCCSCC(=O)NNC(=O)c1cccc(C)c1	788512371	DEJOCDJTOVOFAZ-UHFFFAOYSA-N	324.402	1.442	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCCOC[C@@H]1CCOC1	787341988	ZDKIPLBUZKDMIF-WJQTUHTMSA-N	316.357	1.468	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](O)C2CCCCC2)c1	783701692	VQAAHYZITHIMMY-AWEZNQCLSA-N	306.362	1.858	50	20	DDGD	
C/C(C=NNC(=O)C(=O)NC1CC1)=C/c1cccc([N+](=O)[O-])c1	787152240	SEAKWYPLECXORO-RVPKYLFYSA-N	316.317	1.379	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)o1	786845161	LASLQWCFDYOEQL-NXEZZACHSA-N	319.365	1.404	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1ccc(Br)cc1O	785463686	ZKEFKKMQWIYFCM-UHFFFAOYSA-N	315.167	1.766	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=C2COCc3ccccc32)cc1	782135054	HRJMSJSSBJSCDR-UHFFFAOYSA-N	321.336	1.988	50	20	DDGD	
COc1cc(Br)c(C=NNC(=O)C(F)F)cc1O	782236106	RPKOIGBSMXMYSP-UHFFFAOYSA-N	323.093	1.879	50	20	DDGD	
N#CC1=CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC1	780687826	MLTPVOKACQMGCS-UHFFFAOYSA-N	309.325	1.355	50	20	DDGD	
CC[C@@H]1C[C@@H](CC(=O)NNC(=S)NCCSC)CCO1	781715744	NOTDZIIHFNZQBM-WDEREUQCSA-N	319.496	1.440	50	20	DDGD	
CCC[C@H](C)N1C[C@H](C(=O)NNc2ccc(C#N)cn2)CC1=O	899664110	QWFFYCLSLWALQZ-WCQYABFASA-N	315.377	1.433	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNc1nc2ccccn2n1	791243900	XZALDAHXDSIRLR-UHFFFAOYSA-N	307.317	1.222	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ncccc2Cl)cc1	794183143	QYENHQLQKLKAJY-UHFFFAOYSA-N	319.748	1.883	50	20	DDGD	
COC1(CC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)CCC1	791515996	WTAKZFINVVHDSO-LLVKDONJSA-N	314.382	1.071	50	20	DDGD	
O=C(NNc1ncccn1)Nc1cc(Br)ccn1	794336431	ICEYVTBFMKQDOM-UHFFFAOYSA-N	309.127	1.783	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(C)ccc1-n1cnnc1	797840849	QGSGNYYOYSNOOU-UHFFFAOYSA-N	316.365	1.320	50	20	DDGD	
Cc1ccc2c(c1)CN(CC(=O)NNC(=O)C(C)(C)C)CCO2	796431472	QZPCZSRVJJQRAH-UHFFFAOYSA-N	319.405	1.383	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNc2ncccc2C)c1F	792380450	UYCHXUAUBBJLRX-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1C1CC1)c1cncn1-c1ccccc1	1319034066	LMGPNOIZSTXCRU-UONOGXRCSA-N	310.357	1.679	50	20	DDGD	
CC(C)[C@H](NC(=O)NNC(=O)C1CCNCC1)c1ccccc1	1328708626	JTDODPHNTPMBIN-HNNXBMFYSA-N	318.421	1.714	50	20	DDGD	
CCCOc1ccc(Cl)cc1NC(=O)NNC(=O)CCO	1320228402	UKQNRTJZNALQAH-UHFFFAOYSA-N	315.757	1.664	50	20	DDGD	
Nc1cnnc(NNC(=O)N[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c1Cl	1324088622	SIUYOTPLCVTBIC-WWSAPQGSSA-N	308.773	1.383	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cnc(Cl)cc2C)ncn1	1326071804	PXJRORUUDWFNKD-UHFFFAOYSA-N	320.740	1.224	50	20	DDGD	
C[C@]1(CO)CCCN(C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	1328495601	XQMULVJCZJFXKL-WCFLWFBJSA-N	319.243	1.964	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1nccc(Cl)c1F	1321298705	FXZALUYYEYJIFN-UHFFFAOYSA-N	314.626	1.380	50	20	DDGD	
O=C(NNC(=O)c1cncn1-c1ccccc1)c1cncc(O)c1	1327357939	PLMWEMVKCANIOC-UHFFFAOYSA-N	323.312	1.048	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)N[C@H]2CC23CCOCC3)nn1	1324649507	DMVZHXJVZUNPBY-LBPRGKRZSA-N	319.409	1.969	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2c(C)cnn2CC2CC2)n[nH]1	1325340826	RXBMBHNOBDZGDX-UHFFFAOYSA-N	317.353	1.100	50	20	DDGD	
CC(=NNC(=O)C[n+]1ccccc1)c1ccc(F)cc1[N+](=O)[O-]	1256370061	LQPQZFNABUDDIG-UHFFFAOYSA-O	317.300	1.562	50	20	DDGD	
CN(C)[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)OC(C)(C)C	1321745016	XAPRSDNDZDFDJQ-GHMZBOCLSA-N	300.403	1.598	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2nc3ccccc3[nH]2)o1	1330596420	ULIKOCGTBDILOG-UHFFFAOYSA-N	300.274	1.699	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2nncc(N)c2Cl)cc1	1253094252	ARXYEDDDIPJHNG-UHFFFAOYSA-N	320.740	1.102	50	20	DDGD	
COc1ccc2[nH]cc(C=NNC(=O)C[n+]3ccccc3)c2c1	1256369683	INZLGFSHECVRAY-UHFFFAOYSA-O	309.349	1.614	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNc1cc(O)nc2ncccc12	1336051791	AIJHICGPBLEBAL-ZYHUDNBSSA-N	302.334	1.594	50	20	DDGD	
C[S@](=O)c1ccc(C=NNC(=O)CNc2ccccc2)cc1	1339941905	NKMIFUFOGPVRKT-QFIPXVFZSA-N	315.398	1.986	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2c(C)cnn2CC2CC2)n1	1342950260	ODYIJZQLBSPQFC-UHFFFAOYSA-N	317.353	1.549	50	20	DDGD	
O=C(NN=C1COCCOC1)c1ccc(Br)cc1	1261235200	KTCDPROQRGLMSO-UHFFFAOYSA-N	313.151	1.582	50	20	DDGD	
C[C@@]1(C(=O)NCC2(C#N)CCOCC2)C[C@H]1Br	1514976923	CSHLLZZVZXBPHT-MWLCHTKSSA-N	301.184	1.596	50	20	DDGD	
C#Cc1ccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)cc1	1515851958	MRHMUCYEDNAWNE-UHFFFAOYSA-N	303.318	1.162	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NC2CCCCC2)c(C(=O)O)nn1C	1600009953	SZGPECNRCLBWEZ-FLIBITNWSA-N	316.361	1.783	50	20	DDGD	
O=C(O)[C@@H]1CCN(S(=O)(=O)CCCCl)[C@@H]2CCC[C@@H]12	1601829676	VNGPHBGFAJXESU-HBNTYKKESA-N	309.815	1.520	50	20	DDGD	
CO[C@@H](C(=O)NNc1cccc(F)c1C(=O)O)[C@@H]1CCOC1	1606650790	NWSFTANNGHWDKJ-PRHODGIISA-N	312.297	1.019	50	20	DDGD	
N#CCC(=O)N1CCCC2(CCN(C(=O)[C@@H](F)Cl)CC2)C1	1809019133	ZHSABCHEPUPRHP-GFCCVEGCSA-N	315.776	1.666	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@@H]2C=NNC(=O)[C@@H]2CC[C@H](C)O2)cn1	1552672049	CJWVDSFLFBOUSY-MYZSUADSSA-N	320.393	1.650	50	20	DDGD	
CC[C@@H](C)C[C@@H](N)C(=O)NNC(=O)C(C)(C)c1ccccc1	1576984682	ZRRTUUNRLZMTAR-TZMCWYRMSA-N	305.422	1.875	50	20	DDGD	
CCn1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)c1C	1578769022	VZHQOPGBTXDICZ-UHFFFAOYSA-N	312.337	1.148	50	20	DDGD	
CC(C)[C@@H](N)C(C)(C)C(=O)NNc1nc(-c2ccncc2)no1	1575446675	GOPSOHLLHAOMKB-LLVKDONJSA-N	318.381	1.584	50	20	DDGD	
C[C@@]1(N)CCCC[C@H]1C(=O)NNc1cc(O)nc2ncccc12	1576531132	QIKRLAOZELALJG-MEDUHNTESA-N	315.377	1.686	50	20	DDGD	
COc1ccc(Br)c(NNC(=O)[C@H](C)[C@@H](C)N)c1	1579186049	UVMJWNUJDOXHJG-HTQZYQBOSA-N	316.199	1.884	50	20	DDGD	
O=C(NNC(=O)[C@@H]1NC[C@@H]2C[C@@H]21)c1cc2c(s1)CCCCC2	1580735872	GHOBPXCKMGWEFL-COPLHBTASA-N	319.430	1.386	50	20	DDGD	
NCCOc1ccc(NC(=O)NNC(=O)[C@@H]2CCCS2)cc1	1580313340	CQPRYYKPMFXGMA-LBPRGKRZSA-N	324.406	1.072	50	20	DDGD	
CCC(=O)N1CCCC12CN(C(=O)[C@H](C)CBr)C2	1842633733	QETDBYOSCRJHFD-SNVBAGLBSA-N	317.227	1.631	50	20	DDGD	
O=C(C(Cl)Cl)N1CC2(CCCN2C(=O)c2ccno2)C1	1842439159	HDQUBGJWOJLUJD-UHFFFAOYSA-N	318.160	1.295	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(=O)CC	1847868787	GMKOUWWKSXZFKH-SRVKXCTJSA-N	314.813	1.575	50	20	DDGD	
CC[C@H](C)[C@H](C)NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1590398341	ANFPJPLIOVLKCT-IUCAKERBSA-N	304.358	1.322	50	20	DDGD	
CCCCN(C)CCNC(=O)NNc1ccc(CC(=O)O)cc1	1595734796	ZGSLYMRBJULDAW-UHFFFAOYSA-N	322.409	1.672	50	20	DDGD	
CC[C@H](C(=O)O)C(=O)NNc1cncc(Br)c1	1594755079	ANKIEONNQZNAKG-QMMMGPOBSA-N	302.128	1.398	50	20	DDGD	
O=C(O)c1cc(F)c(C=NNC(=O)c2ccnnc2)c(F)c1	1776081339	KJFIJAQUPMMRHY-UHFFFAOYSA-N	306.228	1.217	50	20	DDGD	
O=C(O)/C=C/c1ccc(C=NNC(=O)c2ccc(CO)o2)o1	1776097027	DLRQWMBHUYKAHK-IYHDPICYSA-N	304.258	1.227	50	20	DDGD	
COCCCS(=O)(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1	1777207205	ZGDCTJDDOFZOOO-UKTHLTGXSA-N	309.343	1.701	50	20	DDGD	
O=C(NNc1ccccc1F)C(=O)Nc1ccnn1CC1CC1	155628539	WLUXZDJFNSYIJB-UHFFFAOYSA-N	317.324	1.514	50	20	DDGD	
CS[C@@H](C)CC(=O)NNC(=O)COc1cc(C)ccc1C	155313714	GBSNSLKECQZLOL-LBPRGKRZSA-N	310.419	1.971	50	20	DDGD	
C[C@@H](C[C@@H](C)NS(=O)(=O)CCl)NC(=O)OC(C)(C)C	827792691	NLVLPGNHTNKRJA-DTWKUNHWSA-N	314.835	1.794	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc(-c2ccco2)[nH]c1=O	103197181	SFIIPGNAJLDCDJ-UHFFFAOYSA-N	317.345	1.832	50	20	DDGD	
CC1(C)CC(=O)C(=CNNC(=O)Cc2cccnc2)C(=O)C1	103533825	OMLSKWHQVHPDED-UHFFFAOYSA-N	301.346	1.087	50	20	DDGD	
CC(C)(C)c1csc(CNC(=O)NNC(=O)c2ccc[nH]2)n1	105296471	XZXMTHPOQLBQKK-UHFFFAOYSA-N	321.406	1.913	50	20	DDGD	
O=C(CN1CCCCCCC1=O)NNc1cccc([N+](=O)[O-])c1	178834075	LHWVMYZECPJMJD-UHFFFAOYSA-N	320.349	1.831	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1C(=O)NNc1nccnc1Cl	114897040	XSGZAXLMEUCQRN-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
CC(C)OCC(=O)NNC(=O)c1cc(-c2ccccc2)on1	63678581	VMKUJCWGTQRFSK-UHFFFAOYSA-N	303.318	1.528	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)c1ccc(-n2cccn2)cc1	22593607	KQSSAWAGGVRZNC-UHFFFAOYSA-N	307.313	1.342	50	20	DDGD	
O=C(CN(Cc1ccc(F)cc1)CC1CC1)NNC(=O)C1CC1	115562183	DRTOZLRSDLZYRL-UHFFFAOYSA-N	319.380	1.595	50	20	DDGD	
C[C@@H]1CCCN(CCCCNC(=O)NNC(=O)C(C)(C)C)C1	128777429	WCKBGVLHBYZNFV-CYBMUJFWSA-N	312.458	1.875	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)Cc2ccc(C#N)cc2)cc1	170850893	OIZRIKHERWAFSN-UHFFFAOYSA-N	322.368	1.669	50	20	DDGD	
CCc1ncsc1C(=O)NNC(=O)CCc1ccccc1O	123713114	RZMDMZKPDDJZQH-UHFFFAOYSA-N	319.386	1.805	50	20	DDGD	
Cc1cc(NNC(=O)c2cn(CCC(C)C)nn2)nc(C)n1	129697621	WMZUSDMXJGBVAV-UHFFFAOYSA-N	303.370	1.488	50	20	DDGD	
C[C@@]1(NC(=O)c2cccc(CCl)c2)CCS(=O)(=O)C1	37003326	XHBSOWZMMXGWPV-CYBMUJFWSA-N	301.795	1.732	50	20	DDGD	
O=C(CC[C@H]1CCCO1)NNC(=O)Cn1cnc2ccccc21	78465292	VJIWJEFFASXIHB-GFCCVEGCSA-N	316.361	1.143	50	20	DDGD	
CCc1noc(-c2ccc(C)c(NC(=O)NNC(C)=O)c2)n1	181978745	RUHOWOLUVPXLLT-UHFFFAOYSA-N	303.322	1.780	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H]1CCCC[C@H]1C(N)=O	185800552	YUBLHWRHAZDHPA-PVBRJXJSSA-N	313.357	1.459	50	20	DDGD	
O=C(CO)NNC(=O)CCCOc1cccc2ccccc12	180956909	MUQMVYHNMKGCCU-UHFFFAOYSA-N	302.330	1.139	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1ccccc1	78969989	ZPVZTHQQZMFBBK-UONOGXRCSA-N	305.378	1.893	50	20	DDGD	
C#CCC(C)(C)C(=O)NNc1nc2ccccc2c(=O)n1CC	184327357	ZPSVRNNVZDSTJF-UHFFFAOYSA-N	312.373	1.909	50	20	DDGD	
CCCCNC(=O)NNC(=O)C[C@H]1C(=O)Nc2ccccc21	126824695	GQFDHTAGRDBXHO-LLVKDONJSA-N	304.350	1.243	50	20	DDGD	
CS[C@H](CO)[C@H](C)NC(=O)/C(C#N)=C\c1ccc(F)cc1	183614402	FSHPXXLHXMSTLJ-RHJSKUNNSA-N	308.378	1.961	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@H](OC)C(C)C)cc1	74933689	JQYHDDOAWKUPIX-AWEZNQCLSA-N	307.394	1.864	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	183623619	PRBVBQCPZDDNRR-UHFFFAOYSA-N	309.322	1.419	50	20	DDGD	
Cc1ccc(F)cc1NC(=O)NNC(=O)Cc1cccnc1	182774312	KTWMXDYZUJJSOC-UHFFFAOYSA-N	302.309	1.925	50	20	DDGD	
O=C(NNC(=O)c1cccc(-n2cccn2)n1)NC1CCCC1	76586332	ZVLRCAARKAZNGQ-UHFFFAOYSA-N	314.349	1.154	50	20	DDGD	
C#C[C@@H](C)NC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	186026141	FSWZPRRPSGFBOO-SFCYXTAJSA-N	303.406	1.945	50	20	DDGD	
C/C(=C/c1cccc(Cl)c1)C(=O)NNC(=O)c1cnn(C)c1	135116810	ZRDMZZGIBYQYCD-POHAHGRESA-N	318.764	1.938	50	20	DDGD	
CCOC(=O)NNC(=O)c1cccc(NC(=O)NC(C)C)c1	46669786	LDUZVWOUHNQCAW-UHFFFAOYSA-N	308.338	1.607	50	20	DDGD	
O=C(NCC1CCCC1)NNC(=O)c1ccc2c(c1)OCCO2	47013430	RLUMFSFGUHGYLX-UHFFFAOYSA-N	319.361	1.592	50	20	DDGD	
C=C[C@@](C)(CC)C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1	134916767	DSTKYCOGMQBYJU-ZENOOKHLSA-N	311.426	1.235	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)Cn1c(=O)oc2ccccc21	195215174	MMXVUSMFDZKLCT-UHFFFAOYSA-N	317.345	1.322	50	20	DDGD	
CN1CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C(C)(C)C1=O	194738836	GARSISVYXBLIKR-RAXLEYEMSA-N	313.357	1.378	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc(F)cc1Cl	48654672	BFLFCKZSRWFMBB-ZETCQYMHSA-N	308.762	1.835	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCc1ccncn1)c1ccccc1	192353998	PGBWISUTOZVFQO-OAHLLOKOSA-N	312.373	1.750	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2cccc(F)c2)no1)NC1CC1	143238761	DCSJVEAZQPVUTK-UHFFFAOYSA-N	304.281	1.587	50	20	DDGD	
CC(=O)NNC(=O)c1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1	193005622	AWQQJFXVJKPQRJ-TXEJJXNPSA-N	305.378	1.077	50	20	DDGD	
CC(C)(C)OC(=O)NNS(=O)(=O)c1ccc(F)cc1F	192725858	CIRXHHQHQUICKW-UHFFFAOYSA-N	308.306	1.683	50	20	DDGD	
CNC(=O)NNC(=O)c1nc(-n2nc(C)cc2C)ccc1Cl	97714302	PSFDQWQBCWBZKN-UHFFFAOYSA-N	322.756	1.111	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cccs1)OCc1ccccc1	90585861	QIGIWMCJGUINBS-UHFFFAOYSA-N	319.386	1.573	50	20	DDGD	
CCC1CCC(=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1	147295153	FUGWDYGBVLMTLS-TVKKRMFBSA-N	301.412	1.429	50	20	DDGD	
COc1ccnc(NNC(=O)/C=C\c2ccc(Cl)nc2)n1	255137753	KTKDMXGHLLWZCW-HYXAFXHYSA-N	305.725	1.690	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)Cc2ccccc2OC)O1	268291058	YOXPGSHAIHFGNJ-TZMCWYRMSA-N	306.362	1.343	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H](C)c2nnc3n2CCC3)n1	264573695	UESUIBQUZYPLDY-JTQLQIEISA-N	316.369	1.018	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1	269477727	NRZNNIOXIKDGTF-YLSINNKHSA-N	323.393	1.898	50	20	DDGD	
O=C(NCc1cccc2c1OCCCO2)NNc1ncccn1	269266537	DFKDPHJZFYLCNP-UHFFFAOYSA-N	315.333	1.464	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1cnn(C[C@@H]2CCCO2)c1	368314706	AZGXNEGCHOGUMW-LBPRGKRZSA-N	323.397	1.651	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1c(C)nn(CCCl)c1C	272700752	UFDMIFASTVXHMT-UHFFFAOYSA-N	301.778	1.045	50	20	DDGD	
CC1(C)[C@H](NS(=O)(=O)CBr)[C@H]2CCCO[C@H]21	363712321	LEPXUGPAVPPGAX-IWSPIJDZSA-N	312.229	1.462	50	20	DDGD	
O=C(Cc1ccccc1F)NNc1nc(-c2ccncc2)no1	363632894	KQOJWBDPEKTWMN-UHFFFAOYSA-N	313.292	1.957	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(Br)s1	272698308	SMRYAFIUWNHSOI-UHFFFAOYSA-N	306.185	1.817	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1	276685488	GGRKSODGYRUMFU-HNNXBMFYSA-N	324.384	1.882	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(NC(=O)C2CC2)cc1	274398703	JXGBTSVVJMOMKQ-UHFFFAOYSA-N	319.365	1.733	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNc2nccn(C)c2=O)CCC1	276660065	SVRIAOFVBKSHHT-UHFFFAOYSA-N	312.373	1.654	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2ccc(Cl)cc2F)CC1	278645863	OIVHEHNHBOBTLE-UHFFFAOYSA-N	314.748	1.081	50	20	DDGD	
CC(=O)NNC(=O)[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1	279688423	QOHRRJRBMCXJKF-INIZCTEOSA-N	319.361	1.203	50	20	DDGD	
N#CC1=CCN(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1	272705737	WBRQAEVLMVUJIX-OAHLLOKOSA-N	316.405	1.596	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)[C@@H](C)c2cccnc2)n1	279611153	FQGVIWZMCWUDSV-LBPRGKRZSA-N	313.361	1.832	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)NNc1nnc(C2CC2)s1	285980443	FQZQLSGCLBVDGZ-JTQLQIEISA-N	309.395	1.260	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cccc(NC(=O)NC2CC2)c1	286323029	LCFBVWULGBYLQB-UHFFFAOYSA-N	306.322	1.314	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)Cc1ccc(F)cc1	280368006	VFDGVKIEDUMLLX-CMPLNLGQSA-N	306.337	1.521	50	20	DDGD	
O=C(NNc1ncccc1F)[C@@H]1COCCN1CC1CCC1	285975690	MMPZELLKKPCAMD-ZDUSSCGKSA-N	308.357	1.165	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(C#N)ccc1Cl	285137157	QMXNZUJIAMEILN-UHFFFAOYSA-N	310.741	1.192	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(F)ccc1Cl	295367781	JTSPFVLSHNYMTF-NSHDSACASA-N	300.717	1.809	50	20	DDGD	
C[C@H](CCc1ccccc1)NC(=O)NNC(=O)[C@@H]1CCCCO1	296338873	YRFYSJRVXGFGRS-HIFRSBDPSA-N	319.405	1.907	50	20	DDGD	
CC(=O)c1cccc(OCCCC(=O)NNc2ccncn2)c1	295466232	MFFZVHDJUFDNKX-UHFFFAOYSA-N	314.345	1.982	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1cccc(C(F)(F)F)n1	297946908	WRGHSNJURRQDFK-UHFFFAOYSA-N	318.299	1.977	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)[C@H]1CCCCO1	295613419	QXSKHCQNUYAHBS-BFHYXJOUSA-N	306.337	1.646	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)Cn1ccccc1=O	805385123	WXXIQRVDEGUMBA-UHFFFAOYSA-N	302.290	1.208	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)N[C@@H]1CCN2CCCC[C@H]12	292814874	WNFGUJBYEMPDPK-GHMZBOCLSA-N	309.801	1.988	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2csnc2C)cc1	801108497	OCAPRFBTQDPTFQ-UHFFFAOYSA-N	318.358	1.160	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNc2cccnn2)cc1OC	299737456	NBAYSNPBNNQXJF-VURMDHGXSA-N	300.318	1.650	50	20	DDGD	
COCCCOc1cccc(C(=O)NNC(=O)CC2CC2)c1	294285192	VTAUPUDUIPTSPM-UHFFFAOYSA-N	306.362	1.663	50	20	DDGD	
C[C@H](CO[C@H]1CCOC1)NC(=O)NNc1cccc(Cl)n1	292969107	ICCURUJDRIASLA-ZJUUUORDSA-N	314.773	1.555	50	20	DDGD	
COCCCNC(=O)NNC(=O)Nc1cccc(Cl)c1	297372020	LWRPQXDAPXLIIK-UHFFFAOYSA-N	300.746	1.712	50	20	DDGD	
CCC[C@H]1CCC[C@@H]1C(=O)NNC(=O)Cn1nc(C)cc1C	294183319	AOKAGZHJYGAFQO-KBPBESRZSA-N	306.410	1.864	50	20	DDGD	
CCC[C@@H](CC)NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	299347001	PNYIZWYRZYKSQT-RISCZKNCSA-N	321.377	1.736	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)OCCc2ccccc2)o1	295107497	KXJKYBSMLMNEGX-ZDUSSCGKSA-N	316.357	1.997	50	20	DDGD	
CN(NC(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C	297645519	MCSKPWGBWGELAU-UHFFFAOYSA-N	313.314	1.080	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)NCc2cccc(N(C)C)c2)O1	297018479	BANZVVIFDYHNRO-FZMZJTMJSA-N	320.393	1.151	50	20	DDGD	
CC(C)NC(=O)NNS(=O)(=O)c1ccccc1OC(F)F	299654750	YBVDMJFKVRSLQF-UHFFFAOYSA-N	323.321	1.189	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C[C@@H](C)n1cccn1	819264065	JXWKAKGRHJGBHA-LLVKDONJSA-N	302.334	1.304	50	20	DDGD	
Cc1nc2c(cnn2C(C)C)cc1C(=O)NNc1nc[nH]n1	816632980	IDKXMCCDBQCNCD-UHFFFAOYSA-N	300.326	1.196	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)Cc2nnc(C)o2)cc1	813368167	YGZVQBOZBQYPNG-UHFFFAOYSA-N	320.374	1.169	50	20	DDGD	
CCOc1ccc(NNC(=O)C(=O)Nc2cccc(F)n2)cc1	815816643	GHAOPXOXPQXXNC-UHFFFAOYSA-N	318.308	1.701	50	20	DDGD	
Cn1c(NNC(=O)c2nccn3ccnc23)nc2ccccc21	816576895	NFDIEPKVCLOFGT-UHFFFAOYSA-N	307.317	1.373	50	20	DDGD	
Cn1cncc1CNC(=O)NNC(=O)c1cc2c(s1)CCC2	811925124	BOIBNZOTFNXODD-UHFFFAOYSA-N	319.390	1.115	50	20	DDGD	
C[C@H](Sc1ccccc1C(=O)NCCCSC#N)C(N)=O	819699122	UACRPEMUUZTWIP-JTQLQIEISA-N	323.443	1.987	50	20	DDGD	
CON(C)C(=O)CNC(=O)NNc1c(C)cccc1C(C)C	817799596	HSXCDNHTUXVHFL-UHFFFAOYSA-N	308.382	1.764	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)Cc2ncc[nH]2)c1C	816821173	PQDPSISYONROIO-LBPRGKRZSA-N	316.361	1.184	50	20	DDGD	
CCS[C@@H]1CC[C@H](N(C)CC(=O)NNC(=O)C(C)C)C1	827937801	CPXIWNVGNOLJMR-NWDGAFQWSA-N	301.456	1.396	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@@]2(O)CCc3ccccc32)cn1	491084825	PGPZLLQNHNANQD-ODZYNRFZSA-N	322.368	1.277	50	20	DDGD	
CNc1ccc(C(=O)NNC(=S)NCCSC)cc1F	821492636	VQHKLIDUWJOFCO-UHFFFAOYSA-N	316.427	1.339	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccccc1-c1nncn1CC	494361409	BVFXOYYLQRHLOG-UHFFFAOYSA-N	318.337	1.748	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C/c1cccc(S(C)(=O)=O)c1	491050133	OVYAPNWKAAHPOV-UKTHLTGXSA-N	306.387	1.913	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccccc1OCC1CC1	495326950	UEXJQUONTAZKCS-UHFFFAOYSA-N	321.333	1.191	50	20	DDGD	
C=CCOc1ccc(CC(=O)NNC(=O)CC(F)(F)F)cc1	825503677	DVGWDTVBGLMCBZ-UHFFFAOYSA-N	316.279	1.894	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)C[C@@H]1CC[C@@H]2C[C@H]12	825806215	ZWUWGVMHOLSHRU-WOPDTQHZSA-N	308.403	1.969	50	20	DDGD	
Cn1c(NNC(=O)/C=C/c2cccnc2)nc2ccccc2c1=O	491828367	PSXVRQQQZFVCLN-CMDGGOBGSA-N	321.340	1.485	50	20	DDGD	
CCN(CC)CCC(=O)NN=C(C)c1ccc(C(=O)O)cc1	829671714	KMCXSSXFNUXEKG-UHFFFAOYSA-N	305.378	1.957	50	20	DDGD	
O=C(/C=C\[C@H]1CCOC1)NNC(=O)Cc1c[nH]c2ccccc12	493806010	BRCNZYJGJWEZSU-FJOGCWAESA-N	313.357	1.451	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1c[nH]nc1-c1cccc(Cl)c1	823947206	UCAXDDGUKSKZOO-VIFPVBQESA-N	308.769	1.688	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)CCNC(=O)OC(C)(C)C	494949709	FSYUDERSVBKFGU-UHFFFAOYSA-N	323.397	1.402	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(Cl)ncc1Br	823884664	DQWOGAIIQINEPR-UHFFFAOYSA-N	322.590	1.457	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	823864739	BVFMVOBVTCJEEW-UHFFFAOYSA-N	321.255	1.573	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CCNC(C)(C)C)cc1	823891960	JAFJGKOREVQOON-UHFFFAOYSA-N	307.394	1.623	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N(C)[C@@H](C)c1cccnc1	827297348	DXFDPDBXMBKYQA-GMXVVIOVSA-N	306.366	1.240	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(-c2ccccc2)nn1C	825438415	SOWJENIJWPKJLP-UHFFFAOYSA-N	301.350	1.441	50	20	DDGD	
Cc1ccn2cc(C(=O)NNC(=S)NCC3CCC3)nc2c1	727866240	BESUTOKWDCXQIA-UHFFFAOYSA-N	317.418	1.552	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1cc(Cl)cc(COC)c1	496186932	FARSYLUBOURJFR-UHFFFAOYSA-N	322.770	1.426	50	20	DDGD	
CCOc1ccc(NNC(=O)/C=C2/SCC(=O)N2C)cc1	823169481	QGWOKWKBSYHKBP-RIYZIHGNSA-N	307.375	1.575	50	20	DDGD	
C[C@H]1CCCN(CCNC(=O)/C(C#N)=C/c2cnn(C)c2)C1	491052208	VFNRIBRQBIAGQO-LIOBOASVSA-N	301.394	1.175	50	20	DDGD	
CN(C)c1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1	825875770	XUDLCRRVQFMQRJ-UHFFFAOYSA-N	323.360	1.690	50	20	DDGD	
CC(C)c1ccc(CN(C)C(=O)c2cccc(B(O)O)c2)cc1	584926820	CKLDYBBXQSVRDK-UHFFFAOYSA-N	311.190	1.762	50	20	DDGD	
CN(NC(=O)Nc1cccc(C(=O)N2CCOCC2)c1)C1CC1	824083047	QXGFKAQOIJZGHW-UHFFFAOYSA-N	318.377	1.290	50	20	DDGD	
O=C(NCC(F)(F)F)NN=Cc1ccccc1-c1nn[nH]n1	826433125	VSNZZFRVUHFXGF-UHFFFAOYSA-N	313.243	1.062	50	20	DDGD	
C[C@H](CNC(=O)[C@]1(C)C[C@@H]1Br)Cn1ccnc1	906765394	GSXUPDGTYYKOHG-JFGNBEQYSA-N	300.200	1.809	50	20	DDGD	
CCN(CC)CCC[C@@H](C)NCc1ccc(B(O)O)cc1F	585032635	KLIOUSDWJJXUOY-CYBMUJFWSA-N	310.222	1.106	50	20	DDGD	
COC(=O)NNC(=O)c1ncoc1-c1ccc2c(c1)OCCO2	495407188	IXWOYCNUEHLLCQ-UHFFFAOYSA-N	319.273	1.114	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NC[C@@H]2CC2(C)C)c1	732825948	CQTMPBZRMPUIOM-LBPRGKRZSA-N	304.394	1.743	50	20	DDGD	
Cn1nnc2cc(C=NNC(=O)c3ccc(C#N)cc3)ccc21	737434033	KZBMHZJGGSNSPA-UHFFFAOYSA-N	304.313	1.604	50	20	DDGD	
CN(C)c1nc(Cl)c(C(=O)NNC(=O)C2CCC2)s1	823246975	IIDAWEAUBVGDDO-UHFFFAOYSA-N	302.787	1.424	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)C2CC2)CC1)c1ccc(Cl)nc1	822561307	DQTCNLVIVPPENZ-UHFFFAOYSA-N	307.737	1.255	50	20	DDGD	
Cc1cc(CC(=O)NN=C2CC(NC(=O)OC(C)(C)C)C2)n[nH]1	497169334	BYQYTLXDUHROHC-UHFFFAOYSA-N	321.381	1.420	50	20	DDGD	
CCN(CC(=O)NN(C)C(=O)OC)Cc1ccccc1Cl	495693921	VEEDECRGZSDAPJ-UHFFFAOYSA-N	313.785	1.891	50	20	DDGD	
O=C(C[C@H]1OCCc2ccccc21)NNC(=O)[C@@H]1CCCCO1	833250065	BLNMSSHJKVMVSX-LSDHHAIUSA-N	318.373	1.407	50	20	DDGD	
O=C(c1c[nH]nc1-c1c(F)cccc1F)N1CC[C@H](B(O)O)C1	585065852	KSCXJVLEGPVWTA-QMMMGPOBSA-N	321.092	1.044	50	20	DDGD	
O=C(Nc1ccccn1)[C@@H]1CCCN(S(=O)(=O)CCl)C1	830079240	QVVUOGVHUYCXEV-SNVBAGLBSA-N	317.798	1.258	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NN=C2CCNC(=O)CC2)c1C	834930093	MSIXCDWVYMSNOO-ZDUSSCGKSA-N	317.389	1.843	50	20	DDGD	
O=C(NNC(=O)C1CCC2(CC1)CC2)C(=O)Nc1ccccn1	830053239	RXRJVFNKONABRL-UHFFFAOYSA-N	316.361	1.138	50	20	DDGD	
C[C@]1(C(=O)N2CCC[C@@H](S(C)(=O)=O)C2)C[C@@H]1Br	907396714	SYBJYLWUGUIWMF-YWVKMMECSA-N	324.240	1.196	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NCCCOC(C)C)cc1	836199178	RYBKSUFOIHBJLQ-UHFFFAOYSA-N	324.381	1.846	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc(C#N)c(F)c1	831818107	OMHQUVQPHXWBMK-GZMMTYOYSA-N	306.297	1.275	50	20	DDGD	
CC(C)COc1ccc(CC(=O)N2CC[C@H](B(O)O)C2)cc1	585065028	CPWSPYVCRTWEMX-AWEZNQCLSA-N	305.183	1.339	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](C)Cc1ccccc1Cl	731280942	IVUASSSTRNMDIO-SNVBAGLBSA-N	313.785	1.638	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1nc(C(F)(F)F)co1	839136910	ZUIZPTZGWWCAKE-ZCFIWIBFSA-N	322.243	1.415	50	20	DDGD	
C[C@]1(C(=O)NC2CCN(C3CC3)CC2)C[C@H]1Br	905633615	MTGHZQFSMDKMHY-YPMHNXCESA-N	301.228	1.903	50	20	DDGD	
C=CCOC[C@@H](NC(=O)[C@@H](Br)C(C)(C)C)C(=O)O	909771882	SROJTVPDIIEIIL-RKDXNWHRSA-N	322.199	1.568	50	20	DDGD	
CCn1nc(C2CC2)cc1C(=O)NNC(=O)NC1CCCC1	906438306	JMZHRWMHAAMYBR-UHFFFAOYSA-N	305.382	1.667	50	20	DDGD	
O=[N+]([O-])c1cc(Cl)c(N2CC[C@@H](B(O)O)C2)c(Cl)c1	585074129	UWUJGIODWCAMOC-ZCFIWIBFSA-N	304.926	1.955	50	20	DDGD	
CCS[C@H]1CCCC[C@H]1NC(=O)c1cccc(B(O)O)c1	584961445	VMWOVJHQPPTLFU-KGLIPLIRSA-N	307.224	1.161	50	20	DDGD	
CN(CCCNCc1ccccc1B(O)O)c1ccc(F)cc1	585017133	MYSXKUQTBAMCBH-UHFFFAOYSA-N	316.185	1.122	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@@H](c1ccccc1)C1CC1	838600730	DPWBBXXIFLBJBE-AWEZNQCLSA-N	305.378	1.547	50	20	DDGD	
O=C(NN=CC[C@H]1CCCCC12OCCO2)[C@H]1CCCCO1	834984840	COLSFBNSPPAEAK-ZIAGYGMSSA-N	310.394	1.981	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1c[nH]c2cccc(F)c12	833243414	SLSRVOQOKBIDSY-GFCCVEGCSA-N	305.309	1.637	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)COCc1ccccc1)C(F)F	836317293	IWQFPODOQCKCIT-NSHDSACASA-N	315.320	1.577	50	20	DDGD	
CSc1cc(C)ccc1NC(=O)C(=O)NNC(=O)C1CCC1	839515440	ZPQNRBWHDKGUHM-UHFFFAOYSA-N	321.402	1.603	50	20	DDGD	
CCC[C@@H]1CCCC[C@@H]1CNC(=O)NNC(=O)c1cnn(C)c1	836658454	LSVBZLWSCGPJFU-CHWSQXEVSA-N	321.425	1.971	50	20	DDGD	
Cn1ccc(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])cc1=O	917217671	RMJQCTNUWFVBSP-UHFFFAOYSA-N	322.708	1.704	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(Oc2ccccc2F)nc1	910140265	YTZZVEVKDNMVEL-LLVKDONJSA-N	319.336	1.970	50	20	DDGD	
C[C@H](CCc1ccccc1F)C(=O)NNC(=O)c1ncccn1	841350795	SUAMHAMPTUJPMM-LLVKDONJSA-N	316.336	1.646	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@](C)(O)[C@H](C)c1ccccc1	747366765	LUMRZRUXZDFQDY-WBMJQRKESA-N	307.394	1.672	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C1SCCCS1	842255133	CLKQFNLSUNZZFX-UHFFFAOYSA-N	322.452	1.119	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1	912580369	CPBFURRURYSRDC-NWDGAFQWSA-N	312.486	1.745	50	20	DDGD	
Cc1cnc(CCNC(=O)NNC(=O)C2CCCC2)c(C)c1	847413475	QZAXCQHCUXSZEB-UHFFFAOYSA-N	304.394	1.762	50	20	DDGD	
CCc1c(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cnn1C(C)(C)C	843648530	XVZKIDUUQUBORK-QWRGUYRKSA-N	322.409	1.387	50	20	DDGD	
CS(=O)(=O)c1ccc(C=NNC(=O)Cc2ccncc2)cc1	747645335	DIDVSGOBFGBGLE-UHFFFAOYSA-N	317.370	1.178	50	20	DDGD	
Cn1nnc2c1CC[C@@H](NC(=O)NNc1cc(Cl)ccn1)C2	848670422	RWDBFHKHDZXLQZ-SECBINFHSA-N	321.772	1.047	50	20	DDGD	
CC(C)CCCNC(=O)NNC(=O)c1ccc2c(c1)OCCO2	916435446	DJPSWYHMPIBSTO-UHFFFAOYSA-N	321.377	1.838	50	20	DDGD	
CNC(=O)NNC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1	746160030	UYXYENLNJORIFL-UHFFFAOYSA-N	323.740	1.283	50	20	DDGD	
O=C(NCCN1Cc2ccccc2C1)NNC(=O)C1CCCC1	744878234	SXVBHKNGJVBMFZ-UHFFFAOYSA-N	316.405	1.523	50	20	DDGD	
CCCN1CCC(NC(=O)NNC(=O)CC(F)(F)F)CC1	745865633	MJIQMKDXDXMDHA-UHFFFAOYSA-N	310.320	1.144	50	20	DDGD	
CC1(C)CCC(CC(=O)NNC(=O)CN2CCCC2=O)CC1	913731420	IADLNWDLEFJXPU-UHFFFAOYSA-N	309.410	1.363	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(-c2ccccc2)[nH]1	843652301	RVCARXDZELITMP-WCQYABFASA-N	313.357	1.868	50	20	DDGD	
COc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843662564	UCHFWYDXZLAHGW-UVLXDEKHSA-N	318.373	1.371	50	20	DDGD	
O=C(NNc1cccnn1)[C@H](C[C@H]1CCCO1)C(F)(F)F	845937631	QYFQWNZKDFIDLZ-BDAKNGLRSA-N	304.272	1.667	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CNC(=O)C(C)(C)C)cc1	846371069	WNKZODKWQOXUBP-UHFFFAOYSA-N	321.377	1.008	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	842562958	ZZPDBQWRQAABGL-GZMMTYOYSA-N	322.277	1.378	50	20	DDGD	
COC(=O)[C@H](C)Sc1ccccc1C(=O)NNC(=O)C(C)C	917917359	KDILFOWHZSHGMG-JTQLQIEISA-N	324.402	1.757	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCc2cc(C(=O)OC)ccc2C1	918397058	UPABVLYTCFPDNY-RVDMUPIBSA-N	314.341	1.802	50	20	DDGD	
CC1(C)COC(=O)[C@H]1NS(=O)(=O)c1ccc(CCl)cc1	916226766	ZUAIWJLUYUUUNC-LLVKDONJSA-N	317.794	1.655	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)c1cc2c(s1)CCC2)C1CC1	749887440	UVZMDYCYRZWPRF-NSHDSACASA-N	323.418	1.606	50	20	DDGD	
COc1cccc2c1NC(=O)C2=NNC(=O)[C@@H]1CCCCO1	842535924	KILDWOICONOZAQ-NSHDSACASA-N	303.318	1.037	50	20	DDGD	
C#CCSCCNC(=O)NNc1ccc(CC(=O)OC)cc1	845002282	IRNHFXKDSLHIDE-UHFFFAOYSA-N	321.402	1.395	50	20	DDGD	
Cn1nc(C(=O)NNc2ccccc2[N+](=O)[O-])cc1C1CC1	742032586	OWXQLQBSANVBQQ-UHFFFAOYSA-N	301.306	1.963	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ncccc1C(F)(F)F	740091274	IAAPLZBYQBPAIV-NKWVEPMBSA-N	303.240	1.353	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc3nccnc3c2)n1	746633302	RGHQAKWOFGQRNY-UHFFFAOYSA-N	310.317	1.494	50	20	DDGD	
Cc1ccccc1C(C)(C)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843648348	QBXLEWQGFFPSDZ-CHWSQXEVSA-N	304.390	1.845	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCC2CCNCC2)cc1	841923353	DIWOUHMULCRSFQ-UHFFFAOYSA-N	304.394	1.193	50	20	DDGD	
CCOc1ccc(O)c(C=NNC(=O)[C@H](C)OCCOC)c1	748257357	HVKAOJQFTLMVGI-NSHDSACASA-N	310.350	1.293	50	20	DDGD	
Cc1ccc2c(c1)CCCN2CC(=O)NNC(=O)C(C)(C)C	744383499	RYFBIGHZAUIWMY-UHFFFAOYSA-N	303.406	1.941	50	20	DDGD	
COCCC(=NNC(=O)Cc1cc(O)nc(S)n1)C(C)C	756823704	OOFIPXVVXKSXOU-UHFFFAOYSA-N	312.395	1.178	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=C/C=C\c1ccco1	750943205	FIUKJGACIPZUJL-SUVSOHSISA-N	303.343	1.886	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ncoc1-c1ccon1	855094140	VJOIEHHHQDVTED-UHFFFAOYSA-N	321.362	1.239	50	20	DDGD	
Cn1nc(C2CC2)nc1C(=O)NC[C@@]1(C)C[C@@H]1Br	857249811	LWHBSPGKCNTQIW-QPUJVOFHSA-N	313.199	1.596	50	20	DDGD	
CN(C)c1ncc(CNC(=O)NNc2ccc(F)c(F)c2)n1C	921364491	JHVUNMPORZFWNN-UHFFFAOYSA-N	324.335	1.591	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)c1cccc(F)n1)c1cccnc1	856427401	WLLRSNLFWIXOLO-CQSZACIVSA-N	316.336	1.817	50	20	DDGD	
COc1ccc(C=NNC(=O)NCC2CC2)c(OC)c1OC	920830756	LYKQNMDZTBFWSN-UHFFFAOYSA-N	307.350	1.756	50	20	DDGD	
C[C@]1(CNC(=O)N[C@H]2CCN(C3CC3)C2)C[C@@H]1Br	856838662	DVTAXIBPLKXVTF-XHVZSJERSA-N	316.243	1.696	50	20	DDGD	
CO[C@H]1CCN(C(=O)NNC(=O)c2cccc(F)n2)[C@@H](C)C1	852709835	FWBHSPIODUOJBL-UWVGGRQHSA-N	310.329	1.074	50	20	DDGD	
O=S(=O)(CBr)N1CCCC[C@H]1[C@@H]1CCCN1	850588367	COBWSORMLJZYKD-UWVGGRQHSA-N	311.245	1.275	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1	854284838	AHJRFVFZLRTBMO-JHJVBQTASA-N	315.483	1.933	50	20	DDGD	
CC1CCN(C[C@H](C)NC(=O)NNC(=O)c2ccccc2)CC1	851936165	WEQGGPMDWYEUJB-AWEZNQCLSA-N	318.421	1.751	50	20	DDGD	
Cn1ccnc(NC(=O)NC[C@]2(C)C[C@H]2Br)c1=O	856854431	LQCHFNIDMNIFPO-HQJQHLMTSA-N	315.171	1.075	50	20	DDGD	
CCc1noc(COCC(=O)NNc2cccc(Cl)c2)n1	929772827	NZLPWXTVRICUIJ-UHFFFAOYSA-N	310.741	1.945	50	20	DDGD	
COC[C@@H](C)CC(=O)NNc1nc2ccccc2c(=O)n1C	755370285	IAJDDDPIZZHJOX-JTQLQIEISA-N	304.350	1.049	50	20	DDGD	
CC(C)C(=O)NN=C1CCN(c2ccc([N+](=O)[O-])nc2)CC1	853273147	BFWHNVQHCYNPCY-UHFFFAOYSA-N	305.338	1.718	50	20	DDGD	
C[C@@H]1Cc2cc(C(=O)NNC(=S)NCC3CCC3)ccc2O1	855093918	LSYYDBMIFTYNDX-SNVBAGLBSA-N	319.430	1.919	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)CC2=CCCOC2)cc1	852519037	SZBUBFYGKRAZEN-UHFFFAOYSA-N	317.389	1.035	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccccn2)c(C)c1	756322955	VVJIMXIKUKLIQK-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)COc1cccc(C)c1)C1CC1	858127987	XJBAIKINJDJOJP-HNNXBMFYSA-N	306.362	1.336	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@H](CCO)C2)C[C@@H]1Br	856952390	BTKSNNBVYHSCCO-NTZNESFSSA-N	319.243	1.964	50	20	DDGD	
CCCC[C@@](C)(F)C(=O)NNC(=O)C(C)(OCC)OCC	854387542	BEGXKKSMQVXOQZ-CYBMUJFWSA-N	306.378	1.841	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN([C@@H]2CCC(=O)NC2=O)C1	852524718	NTFZXHLGNQYEBF-NWDGAFQWSA-N	312.486	1.888	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)NC2CCCC2)CCOc2ccccc21	930964691	GMXZNSZJUDQFDC-QGZVFWFLSA-N	317.389	2.000	50	20	DDGD	
C=CCCOCCNC(=O)NN=c1sc2ccccc2n1C	757046023	AYBNVMFELBDWQT-UHFFFAOYSA-N	320.418	1.947	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(CN2CCCCC2)o1	930791027	GWYGKQJZDICDBK-UHFFFAOYSA-N	308.382	1.620	50	20	DDGD	
O=C(NCCC1CCC1)NNC(=O)[C@@H]1COc2ccccc2O1	755266531	RZDYBXHUQOWQTR-AWEZNQCLSA-N	319.361	1.347	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccc([C@H]2CCOC2)c1	761388878	IRRJUNIRUSHJCS-AWEZNQCLSA-N	305.378	1.935	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1cccc(S(C)(=O)=O)c1	769942331	KIHCCDQTXVDOTM-UHFFFAOYSA-N	313.379	1.289	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1n[nH]c2ccccc12	863090471	MZIJGRZGMWSUDB-UHFFFAOYSA-N	308.210	1.995	50	20	DDGD	
COC(=O)c1cc(Cl)cc(Cl)c1N1CC[C@@H](B(O)O)C1	864233807	MOYLMRPXWSIKEO-SSDOTTSWSA-N	317.965	1.833	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)c1	935256379	CDYWSKCZXATRPO-RJTWHSRJSA-N	320.414	1.825	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)CCC1=O	763335185	JXZWEGDOHXIYKZ-VHSXEESVSA-N	318.329	1.182	50	20	DDGD	
Cc1cc(C(=O)NN=C2C(=O)Nc3c(F)ccc(Cl)c32)n[nH]1	764795216	NODJSCYBKVFKNU-UHFFFAOYSA-N	321.699	1.597	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CC(F)(F)C(F)(F)F)c1	865164838	QRQUTWSEGDYCHP-UHFFFAOYSA-N	321.205	1.907	50	20	DDGD	
CCCC(=O)N1CSC[C@@H]1C(=O)NN[C@H](C)C(F)(F)F	862312291	IVMVHBOAYBXXNH-HTQZYQBOSA-N	313.345	1.260	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(F)c1	763817308	GWJBOVHEDHNPTO-UHFFFAOYSA-N	301.705	1.221	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2C[C@H](C)N(C)C2)cc1C	761805242	XYGBDSFCSHEXDV-LBPRGKRZSA-N	302.378	1.438	50	20	DDGD	
CC(C)(C)c1ccccc1S(=O)(=O)N1CC[C@@H](B(O)O)C1	864230595	AUQAFVSOIMVKKB-LLVKDONJSA-N	311.212	1.222	50	20	DDGD	
COc1ccc2c(c1)CC[C@@H](NCc1ccc(B(O)O)cc1)C2	863891418	PXZHISUHLVULBX-QGZVFWFLSA-N	311.190	1.022	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)NCc1cccnn1	767878724	CRRLTSLCPFISGX-UHFFFAOYSA-N	319.752	1.203	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1nnc(Cc2ccccc2)s1	764597054	OFVNAZURSGCNKP-UHFFFAOYSA-N	317.374	1.692	50	20	DDGD	
N#CCn1c(C(=O)NNc2ncc(F)cn2)cc2ccccc21	760907859	FEMLWOVGYPFFFY-UHFFFAOYSA-N	310.292	1.851	50	20	DDGD	
CC(Cc1cccc(C)c1)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	872345646	SMJAVCJNPFOPKZ-CQSZACIVSA-N	323.418	1.400	50	20	DDGD	
O=C(NNC(=O)C1(Br)CC1)c1ccc(Cl)nc1	874072730	WFLHLOAKASODSS-UHFFFAOYSA-N	318.558	1.424	50	20	DDGD	
C=Cn1cc(C=NNC(=O)c2nnc(-c3ccccc3)o2)cn1	773054771	NDIDWFYQIAQCQT-UHFFFAOYSA-N	308.301	1.798	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](CC)CCc1ccccc1	875808144	XKYVPKPHQOOUFY-CQSZACIVSA-N	307.394	1.765	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cc(C(F)(F)F)cnc1O	873927241	WWSIEAFXIQZIHM-UHFFFAOYSA-N	305.256	1.613	50	20	DDGD	
C[C@@H](c1ccccc1)[C@@H](CO)NC(=O)NNC(=O)C(C)(C)C	778660684	NQMXKINGHQBEAK-WCQYABFASA-N	307.394	1.528	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cccc(Cl)c2O)c1	775712173	FBEDBBCSEPILBO-UHFFFAOYSA-N	315.716	1.992	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc(Cl)c2cccnc12	779822898	IRIXYYBNJBXUFC-UHFFFAOYSA-N	320.736	1.694	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cc(O)nc(C2CC2)c1	771319394	IDHNDLRKGHUZHK-UHFFFAOYSA-N	312.329	1.063	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc(C#N)cc2OC)n1	775786342	WBICAHAHTFOMLU-UHFFFAOYSA-N	314.305	1.514	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CCCCO)cc1	771503416	XNAZFYHZYFVISS-GFCCVEGCSA-N	324.377	1.163	50	20	DDGD	
CC(C)c1nn(C)c(Cl)c1C(=O)NNc1nccn(C)c1=O	1116193031	IHGUASASMMCSNA-UHFFFAOYSA-N	324.772	1.048	50	20	DDGD	
CCCCCN(CCO)CC(=O)NNC(=O)c1cccc(C)c1	777581272	CUSIXEZLNAXXLX-UHFFFAOYSA-N	321.421	1.241	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)N2CCN(C)CC2)c(C)c1	773659443	RMGXHWFQYODPJN-UHFFFAOYSA-N	304.394	1.214	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)COCc2cc(C)on2)cc1	1120497336	UPQRUMYJZWHKRY-UHFFFAOYSA-N	317.345	1.523	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H]1CCO[C@H](c2ccncc2)C1	882238826	XEXJLPAKXFGWRK-OLZOCXBDSA-N	318.826	1.850	50	20	DDGD	
COC(=O)N1CC(C)(NC(=O)[C@]2(C)C[C@@H]2Br)C1	1120693896	PHVGBZQAEPBFGG-WRWORJQWSA-N	305.172	1.117	50	20	DDGD	
Cc1ccc([C@H](C)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)o1	772167279	VXHDTMZWHRPQGD-NWDGAFQWSA-N	324.377	1.817	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc([N+](=O)[O-])cc1F	777889150	SJADGOMYKSFIGJ-VIFPVBQESA-N	313.285	1.236	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)C1	776448912	ZDFITFLIHKEOMM-SYQHCUMBSA-N	311.426	1.069	50	20	DDGD	
C=CCOc1ccc(C(=O)NNC(=O)C2CCOCC2)cc1	883060977	CYUSEVJEAYEVES-UHFFFAOYSA-N	304.346	1.439	50	20	DDGD	
O=C(C1CCN(S(=O)(=O)CCCCl)CC1)N1CCCC1	881771145	JVKBAEJKXOZPQV-UHFFFAOYSA-N	322.858	1.280	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@]1(O)CCc2ccccc21	882011661	DKTNVBRVNKPJQU-CYBMUJFWSA-N	303.811	1.369	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc2c(c1)O[C@@](C)(CC)O2	785866227	AKHCTDQBYUZTHW-HNNXBMFYSA-N	323.349	1.773	50	20	DDGD	
CCn1cccc(CNC(=O)NNc2cncc(Cl)n2)c1=O	789292105	BBUVFNKGJYLUPG-UHFFFAOYSA-N	322.756	1.138	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1CCCCN1C(=O)CC(C)C	1124052508	YFXGRPVVWBWLGD-AWEZNQCLSA-N	321.421	1.365	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(-c2cn[nH]c2)cc1	1123906062	VCKAFWASVPTLFX-IINYFYTJSA-N	314.345	1.263	50	20	DDGD	
Cc1cccc(NNC(=O)c2cn(Cc3noc(C)n3)nn2)c1	787866919	JCVJPNAZJDPZPL-UHFFFAOYSA-N	313.321	1.083	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1ccc(C#N)cc1Cl	788422681	JIJUWYKVMQTWPI-UHFFFAOYSA-N	304.737	1.330	50	20	DDGD	
CO[C@@]1(C(=O)NN=c2cc[nH]c3ccccc23)CCSC1	896226082	GFAVRJGBCHXOCM-HNNXBMFYSA-N	303.387	1.622	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2n[nH]c3c2C[C@H](C)CC3)n1	897622671	WHXQHXPLDHLOKD-SECBINFHSA-N	313.361	1.313	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNc2ccc(C)nn2)cc1	783947934	NKTDGZHFLVKTBB-UHFFFAOYSA-N	315.333	1.266	50	20	DDGD	
CCSCCCNC(=O)NNC(=O)c1cccc(C#N)c1	799916711	NVWHOIKEXDHYQA-UHFFFAOYSA-N	306.391	1.645	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CC(C)(C)OC[C@@H]2C)n1	793231078	KKOPIDVRTJNSHI-NSHDSACASA-N	306.366	1.244	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2Cl)CCO1	1319726520	IQNFPNZPWJQMIH-UWVGGRQHSA-N	311.769	1.852	50	20	DDGD	
Cc1ccccc1-n1cc(C(=O)NNC(=S)NC(C)C)cn1	1318532182	WLAVPCWNICGRNP-UHFFFAOYSA-N	317.418	1.698	50	20	DDGD	
CCOc1cc(C=NNC(=O)C(=O)OC)ccc1OC(F)F	1318965499	GFKIFUOVGLRJFQ-UHFFFAOYSA-N	316.260	1.310	50	20	DDGD	
O=C(NCc1nccs1)NNC(=O)c1ccccc1Cl	1317976788	RYJDEOOFKVKIFJ-UHFFFAOYSA-N	310.766	1.941	50	20	DDGD	
CO[C@](C)(CNS(=O)(=O)CCl)COCc1ccccc1	702766891	XHRSHXHAMDSCNC-CYBMUJFWSA-N	321.826	1.724	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CC1CCC2(CC1)OCCO2	1320671718	XWODLEUJDOZYHC-UHFFFAOYSA-N	315.439	1.214	50	20	DDGD	
Cc1cc(NNC(=O)c2nc(C)ncc2Br)ncn1	1324562516	VRHXNIYUINJFOG-UHFFFAOYSA-N	323.154	1.403	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1CCCCN1Cc1cccnc1	1328187900	WSVUEAHWMHJTFN-HNNXBMFYSA-N	306.410	1.046	50	20	DDGD	
O=C(c1ccc(F)cc1Br)N1CC[C@@H](B(O)O)C1	585068599	FHFHOHDFGKVTPA-SSDOTTSWSA-N	315.935	1.277	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2ccc(C#N)cn2)cn1C1CC1	1333074201	VQTDKEMFFQLVIO-UHFFFAOYSA-N	309.329	1.515	50	20	DDGD	
CN(C)C(=O)COC1CN(C(=O)c2cccc(CCl)c2)C1	1337178584	STCINZFDNYRDDK-UHFFFAOYSA-N	310.781	1.355	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@H]2CC[C@@H](OC)C2)cc1	1330764011	YOPCGCBBWMYGIX-WCQYABFASA-N	322.365	1.598	50	20	DDGD	
COC1CC(C(=O)NNC(=O)c2cn(C)c3ccccc23)C1	1331866380	QJIQNGZVZYHBJH-UHFFFAOYSA-N	301.346	1.364	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1ccc(CF)cc1	1333783290	QFKHMXNUEZUBQE-UHFFFAOYSA-N	316.336	1.833	50	20	DDGD	
CC1(N2CCCC2)CCC(=NNC(=O)[C@H]2CCC(=O)N2)CC1	1330892191	KXYLUUZTKTWEPL-JBZHPUCOSA-N	306.410	1.166	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCCC(F)F	1343243312	WTTIRZDRLBVWLZ-UHFFFAOYSA-N	301.293	1.223	50	20	DDGD	
COC1([C@@H](C)NC(=O)NNc2nncc(N)c2Cl)CCC1	1345066453	KQGBDXDFNHCIET-SSDOTTSWSA-N	314.777	1.296	50	20	DDGD	
O=C(NCCC[C@@H]1CCCN1)NNC(=O)c1ccccc1Cl	1261377611	YBXUQJOCIQHJMH-NSHDSACASA-N	324.812	1.816	50	20	DDGD	
N#CCOc1ccc(NC(=O)NNc2ncncc2F)cc1	1343867014	YPXLWDKYEHDHJO-UHFFFAOYSA-N	302.269	1.667	50	20	DDGD	
Cn1cnnc1COCC(=O)OC[C@@]1(C)C[C@H]1Br	1263536809	FOFTVBWXPLUUAN-LDYMZIIASA-N	318.171	1.048	50	20	DDGD	
COC(=O)C1(NC(=O)C2CCC(Cl)CC2)CCOCC1	1297942763	GIOURDLOUUMULC-UHFFFAOYSA-N	303.786	1.622	50	20	DDGD	
C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NNc3nc4ccccn4n3)CN2C1	1528267704	LXJMJBWBFQWZRQ-UPJWGTAASA-N	314.393	1.293	50	20	DDGD	
O=C(CCO)NN=Cc1ccc(-c2ccccc2C(=O)O)o1	1601280682	WBTUJHMJXBADJK-UHFFFAOYSA-N	302.286	1.477	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)[C@H]2Cc3ccccc3O2)cc1	1608780270	CHWAEIRQHZCNGF-OAHLLOKOSA-N	312.325	1.761	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cc(-n3cccc3)ccn2)nc1	1602383716	YXCMCLCCXZCGEX-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
O=C(O)/C=C/c1ccc(C=NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)o1	1608658736	CEKNPHGEJCYMDU-XIEJQNBCSA-N	304.302	1.395	50	20	DDGD	
O=C(CCc1ccco1)NN=Cc1ccc(-c2nn[nH]n2)cc1	1609525547	RWBBUGWQUQHIOL-UHFFFAOYSA-N	310.317	1.543	50	20	DDGD	
O=C(Cc1ccc(-c2nn[nH]n2)cc1)NNc1ncccc1F	1606593434	JTRVZSWRGKVPCA-UHFFFAOYSA-N	313.296	1.087	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)N[C@@H]1C[C@@H]2CC[C@H]1O2	1601560240	WDARBQMDFROVTF-WHGOUJPWSA-N	309.297	1.470	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@@H]2CCc3nc[nH]c3C2)ccc1F	1602286561	LJUBNIWOHXEDTA-MRVPVSSYSA-N	318.308	1.495	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNc1ccc(C)c(C(=O)O)c1)C(C)C	1605503801	KDLDPLOBJXEFSV-CYBMUJFWSA-N	322.361	1.972	50	20	DDGD	
O=C(NNC(=O)C(=O)O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1	1608476881	AXEHPNLPLONVQE-CHWSQXEVSA-N	319.361	1.203	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@H](C)OCC(C)C	1607140309	PVKXYZGQSHNAOH-SNVBAGLBSA-N	310.350	1.898	50	20	DDGD	
CNc1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cn1	1604899258	UNHKUNOHQRWQDO-UHFFFAOYSA-N	310.321	1.060	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)Cn1ccc(C)n1	1610287142	CTVZEEQGZXEDLS-UHFFFAOYSA-N	304.306	1.042	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)C#CC1CC1)C2	1845163326	QGVPGMKQDOCWSR-CYBMUJFWSA-N	308.809	1.621	50	20	DDGD	
Cc1c([C@@H]2CN(C[C@@H]3[C@H](C)[C@@H]3Cl)C[C@@H]2C(N)=O)cnn1C	1550648132	FUJQLWWALVEZQJ-DRLPCLEQSA-N	310.829	1.103	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@H]2C=NNC(=O)c2cccnn2)cn1	1552928143	WRGYLEDHCCJGJH-SMDDNHRTSA-N	314.349	1.094	50	20	DDGD	
Cn1cc([C@H]2OCCC[C@H]2C=NNC(=O)c2ccc[nH]2)cn1	1552455210	YFJJALFHJYKZKN-FZMZJTMJSA-N	301.350	1.632	50	20	DDGD	
O=C(COc1ccccc1F)NNc1ncccc1C(=O)O	1574531857	OEIQJGGXBDQQQA-UHFFFAOYSA-N	305.265	1.441	50	20	DDGD	
CC(C)[C@@H](C(=O)N(C)NC(=O)OCc1ccccc1)[C@@H](C)N	1575402894	WHZHTFSNLTYINN-TZMCWYRMSA-N	307.394	1.906	50	20	DDGD	
CC(=NNC(=O)[C@]1(C)CCCO1)c1ccccc1-c1nn[nH]n1	1588772165	LTYAPOMWKKJYEN-HNNXBMFYSA-N	314.349	1.276	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)[C@@H]1NCC[C@H]2CCCC[C@H]21	1580740088	VTWRQHBHXWWGMC-GIPNMCIBSA-N	309.801	1.741	50	20	DDGD	
CC(C)(CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCC#N	1847435701	OKQLRQPTUAEMME-RYUDHWBXSA-N	311.813	1.757	50	20	DDGD	
CN(C)[C@H]1CCC[C@@H](NC(=O)NNc2cccc(C(=O)O)c2)C1	1598191387	OZSBTILVXGVMIA-OCCSQVGLSA-N	320.393	1.884	50	20	DDGD	
O=C([C@@H](F)Cl)N1CCCC12CN(C(=O)C(F)(F)Cl)C2	1843367027	DFHRNGJOEKRQKK-ZCFIWIBFSA-N	319.110	1.556	50	20	DDGD	
CC1(c2ccccc2)CCC(NC(=O)NNC(=O)C(=O)O)CC1	1594079725	PHBHMIBHPJBQPH-UHFFFAOYSA-N	319.361	1.302	50	20	DDGD	
O=C(NCC[C@H]1CCSC1)NNc1ncccc1C(=O)O	1594754363	REXBGAWHDXABOO-VIFPVBQESA-N	310.379	1.549	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)c1)N[C@H]1C[C@H](C(=O)O)C1	1594780511	UJYHEXHRXIKFMW-CZMCAQCFSA-N	311.725	1.147	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H]1CC[C@@H]1C(=O)O	1593866903	GFQYSRMHWXGFEM-SFYZADRCSA-N	310.281	1.166	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cnc(C(=O)O)cn1	1594067526	AARSFKQHJYEBPD-UHFFFAOYSA-N	319.229	1.311	50	20	DDGD	
COC(=O)c1cc(OC(=O)[C@H]2C[C@H]2C(=O)O)ccc1[N+](=O)[O-]	1598964051	ULZVQQLDHRIAPB-SFYZADRCSA-N	309.230	1.008	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cocn1)[C@@H](F)Cl	1795313656	JPUDSVYCNKMMLL-PKIKSRDPSA-N	315.732	1.461	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)c1	158998322	BIGJYHQIZMHSTO-AWEZNQCLSA-N	318.421	1.157	50	20	DDGD	
O=C(NCCn1cccc1)NNc1ncnc2ccsc12	151917008	POTREDXQYIIMAZ-UHFFFAOYSA-N	302.363	1.819	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNc1cc(F)cc(OC)c1	156411411	ZFBJLXGUNLPGAZ-UHFFFAOYSA-N	311.357	1.926	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(C(=O)N(C)C)cc2)nc1	159537694	FKQZANFFPWDVEN-UHFFFAOYSA-N	314.345	1.549	50	20	DDGD	
Cc1cc(C)n(CCCNC(=O)NNC(=O)CC(C)(C)C)n1	103297665	RYXXFBGSQGDWRF-UHFFFAOYSA-N	309.414	1.657	50	20	DDGD	
C[C@@H]1COCCN1C(=O)NNC(=O)CCCc1ccccc1	103516686	KXTOPGNHBQSERI-CYBMUJFWSA-N	305.378	1.471	50	20	DDGD	
C=CC(=O)NCCNC(=O)/C(C#N)=C/c1ccc(OCC)cc1	171833165	UHVVHYWFJAUDKL-SDNWHVSQSA-N	313.357	1.411	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cc(C3CC3)[nH]n2)c1O	54144374	SAAZCJNFPMLJQC-UHFFFAOYSA-N	316.317	1.076	50	20	DDGD	
COc1cc(CC(=O)NNC(=S)NC(C)(C)C)ccc1C	28716875	NQMLNOMYRDQNHR-UHFFFAOYSA-N	309.435	1.840	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)C1CCN(c2ncccn2)CC1	66572870	QBOJLNONIIYZBB-UHFFFAOYSA-N	319.409	1.277	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)NCCCOC)c2ccccc21	65206817	JMESWZCBBFCYLQ-UHFFFAOYSA-N	318.377	1.642	50	20	DDGD	
Cc1cc([C@](C)(O)CNC(=O)NNC(=O)C(C)(C)C)c(C)o1	176585954	NBWKJJZVJJCWJK-OAHLLOKOSA-N	311.382	1.480	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)N1CCOCC1)c1ccc(Cl)s1	175931970	UVKGQCJQPHSJQR-MRVPVSSYSA-N	317.798	1.578	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)[nH]n1	28872287	DHHKKGHKIFZROT-SECBINFHSA-N	320.324	1.340	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H](C)c1ccccn1	67456262	PXNWXGSRIPFJOE-LLVKDONJSA-N	314.345	1.795	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCC1(N2CCOCC2)CCCCC1	178948208	WMXFAUIOFGZCLM-FYWRMAATSA-N	321.421	1.582	50	20	DDGD	
CCN(CC)CCNC(=O)NNc1ccc(C(C)(C)C)nn1	118563607	ZGGVFILEVJYMCA-UHFFFAOYSA-N	308.430	1.742	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(C)o2)cc1OC	26959286	GHKBQTOEZACUPV-UHFFFAOYSA-N	304.302	1.680	50	20	DDGD	
CC(=O)N[C@@H](C)C(=O)NNc1cccc(Br)c1	119268887	YFCZLTSGHXKUBL-ZETCQYMHSA-N	300.156	1.417	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCC[C@@H](O)COC)cc1	179291621	CZIBPKQCAKGIAJ-YVGNARHYSA-N	318.373	1.506	50	20	DDGD	
Cn1cc(CC(=O)NNC(=O)c2cccnc2)c2ccccc21	64458010	RVKMGJKALLSGCM-UHFFFAOYSA-N	308.341	1.577	50	20	DDGD	
CS(=O)(=O)c1cc(C(=O)NNc2ccc(C#N)cc2)cs1	128329937	UXMMSTOBKZRXJM-UHFFFAOYSA-N	321.383	1.780	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1ccc(C(F)(F)F)nc1	173957005	IFRXDDSINDRTED-UHFFFAOYSA-N	323.238	1.524	50	20	DDGD	
C[C@@H](O)C[C@@H](CNC(=O)NNc1cccnn1)c1ccccc1	177886673	GCEUUISKAICTKV-OCCSQVGLSA-N	315.377	1.657	50	20	DDGD	
CCCc1ncc(C(=O)NNc2cc(Cl)nc(N)n2)s1	183516836	VGAVNOHNBRWHSP-UHFFFAOYSA-N	312.786	1.878	50	20	DDGD	
CCc1nc(-c2ccc(C(=O)NNc3cnccn3)cc2)n[nH]1	128967951	NOBOYMQIZKYZKI-UHFFFAOYSA-N	309.333	1.581	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N1CCC(C)CC1	123502267	KQPFCPJXANWDTI-UHFFFAOYSA-N	315.377	1.729	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@@H](C)CN1CCCC1=O	185204601	AAZQILAQIKKMLT-NSHDSACASA-N	308.357	1.771	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNc2cnccn2)cc1OC	121033432	OUEAQVMLTFCTLF-GQCTYLIASA-N	300.318	1.650	50	20	DDGD	
Cc1cc(NNC(=O)Cn2c(C)c(C)sc2=O)nc(C)n1	128645991	RFPWQJGPFQZLGE-UHFFFAOYSA-N	307.379	1.077	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)NN)cc1	121202698	WXKZGSOWFRLXCT-GFCCVEGCSA-N	307.419	1.489	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNC(=O)c2ccc[nH]2)s1	122934772	DFXABLFIXTVLKX-UHFFFAOYSA-N	305.359	1.809	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O	182517884	XMRNJZUWIHXZFZ-SFYZADRCSA-N	320.246	1.121	50	20	DDGD	
O=C(NCc1ccc(Cl)nc1)NNC(=O)c1ccccc1	79639216	FZSPFWDDWUKXME-UHFFFAOYSA-N	304.737	1.879	50	20	DDGD	
O=C(NNC(=O)c1ccc2ccccc2n1)c1ccc(F)cn1	184052393	UCKKFDPCMJPXFQ-UHFFFAOYSA-N	310.288	1.844	50	20	DDGD	
COc1cc(C(=O)NNc2ccc(C(F)(F)F)nn2)on1	128036703	XWSVSLKHBXSJDC-UHFFFAOYSA-N	303.200	1.249	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1	76949886	GNCPDXFJUDYGFD-JKSUJKDBSA-N	324.384	1.753	50	20	DDGD	
O=C(NC[C@@H]1CCN(C2CC2)C1)NNc1cncc(Cl)n1	121126177	IBPSKODIKUJCJW-VIFPVBQESA-N	310.789	1.240	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccnc(F)c1	182420569	MCAUYBSOTWJEKM-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ccc(C(F)(F)F)cn2)cc1	132242051	SLVCORBHXOQJJH-UHFFFAOYSA-N	324.262	1.956	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)c2c(F)cccc2F)[nH]n1	134896583	QRXQBYFLIVHXSE-MRVPVSSYSA-N	308.288	1.561	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1	44118700	RNGCFUFXTZFSOI-LLVKDONJSA-N	322.321	1.197	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C(F)F)cc1	192986448	IZMWVWCKWIOJFY-MRVPVSSYSA-N	302.277	1.265	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1	192923052	ZVZWOBGJJDQHFF-UHFFFAOYSA-N	323.330	1.341	50	20	DDGD	
CN(CCC1CC1)CC(=O)NNC(=O)c1cccc(Cl)c1	135255134	NYDFUYZMPDWYBY-UHFFFAOYSA-N	309.797	1.833	50	20	DDGD	
CCN(CC(=O)NNC(=O)COc1ccc(C)cc1)C1CC1	135915187	AVJRQIKHDPZKML-UHFFFAOYSA-N	305.378	1.006	50	20	DDGD	
CS[C@H](C)CNC(=O)NNC(=O)c1c(C)nc2ccccn12	133094363	ROJBHFPQMQMLIE-SECBINFHSA-N	321.406	1.338	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	192930627	QOXMWZPOUZBWIU-JGVFFNPUSA-N	316.279	1.126	50	20	DDGD	
Cc1ccn(CC(=O)NNc2ccc(OC(F)F)cc2)c(=O)c1	194940640	AQCGCGCOSDHMNV-UHFFFAOYSA-N	323.299	1.901	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)n1	249777287	NWTCVEXGVWMMOE-NEPJUHHUSA-N	322.413	1.232	50	20	DDGD	
CN1CC[C@H](N(C)/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C1=O	267402692	RIMIOFXGKBMQDE-BLXFFLACSA-N	300.318	1.622	50	20	DDGD	
CS[C@@H](C)CNC(=O)NNC(=O)COCc1ccccc1	269861173	WAMZQAGHFHDLFH-NSHDSACASA-N	311.407	1.285	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2CCCN2C2CCCC2)n1	269606677	AAJMDOLUSBWREN-ZDUSSCGKSA-N	319.409	1.644	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C1(CC)CC1	267220812	VXRNKRQJIRKWHO-UHFFFAOYSA-N	306.362	1.802	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N[C@@H]1C[C@@H]1C1CCCCC1	266798272	UBGREIZALPSHLU-HUUCEWRRSA-N	316.405	1.923	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCCC(C)(C)CO)c1	272526202	AHLWHBDKROKNKJ-UHFFFAOYSA-N	323.393	1.898	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)CC(C)(C)C)ccc1C#N	277474818	BAPZVOMHOTZQKW-UHFFFAOYSA-N	309.391	1.612	50	20	DDGD	
CO[C@@H](C)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	278492849	GVKIOMMCWPWNQA-DTWKUNHWSA-N	300.742	1.290	50	20	DDGD	
CO[C@@H](C)CCNC(=O)NNc1cccc(S(C)(=O)=O)c1	271892440	FAGYBCKSBHTJAO-JTQLQIEISA-N	315.395	1.141	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F)C1CC1	279599862	FKWQUTRERBEXEP-NOZJJQNGSA-N	310.325	1.165	50	20	DDGD	
CC(C)(C)OCC(=O)NNC(=O)CSc1ccccc1O	272155985	GWBUZAAHTTZJMA-UHFFFAOYSA-N	312.391	1.447	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@H]2CCO[C@@H](C)C2)c1	271875758	PMEGLXRRKGCFJR-RYUDHWBXSA-N	321.377	1.070	50	20	DDGD	
O=S(=O)(CBr)NCCCc1ccc(O)cc1	272778454	HAPDTVIVSKHDER-UHFFFAOYSA-N	308.197	1.597	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2C)[C@H]1OC	274884457	DOLHJIKSZUUMQJ-MGPQQGTHSA-N	321.377	1.131	50	20	DDGD	
COc1ccnc(NNC(=O)c2cccc3c2OCC3(C)C)n1	279050568	RDCCKYVPNAPENL-UHFFFAOYSA-N	314.345	1.912	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc3c(c2)SCC(=O)N3)ncn1	377932422	MQXNNFQQSCGULG-UHFFFAOYSA-N	315.358	1.586	50	20	DDGD	
O=C(CC[C@@H]1CCOC1)NNC(=O)CSc1ccccc1O	270695993	KYRYPGPKNPAACN-LLVKDONJSA-N	324.402	1.448	50	20	DDGD	
CCCCN1C(=O)CC[C@@H](C(=O)NN)[C@@H]1c1ccc(OC)cc1	270229664	NZLPEEKSWNNTDA-ZBFHGGJFSA-N	319.405	1.765	50	20	DDGD	
Cc1nc(-c2ccccc2NC(=O)NNc2ncccn2)no1	375402676	KGQQGYBXJMCWGM-UHFFFAOYSA-N	311.305	1.984	50	20	DDGD	
COc1ccc2c(c1)C[C@H](C(=O)NNc1cccc(F)n1)CO2	286549737	JLWFWTUTWWJTBF-NSHDSACASA-N	317.320	1.924	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)NCC(F)(F)F)c1ccccc1	281410577	ZGDIGVBXJYIPFW-LBPRGKRZSA-N	319.283	1.441	50	20	DDGD	
Cn1ncc2c1CCC[C@H]2NC(=O)NNc1ncccc1F	286745151	ULGQBRIFIDFHFA-LLVKDONJSA-N	304.329	1.658	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2c(F)ccc(O)c2F)c(O)c1	809616571	YVCCYAGKDWMXQB-UHFFFAOYSA-N	322.267	1.759	50	20	DDGD	
O=C(COc1cc(F)cc(F)c1)NNC(=O)c1ccccn1	809937648	XUZNILSPPWJFIQ-UHFFFAOYSA-N	307.256	1.200	50	20	DDGD	
O=C(CCNC(=O)c1ccco1)NNC(=O)Nc1ccccc1	801990218	ZZSRZSYSRVULKQ-UHFFFAOYSA-N	316.317	1.252	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@](C)(OC)C1CC1	292389273	QRLHARBQAGVUPJ-MRXNPFEDSA-N	306.362	1.200	50	20	DDGD	
COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NNc2ccncn2)c1	295436435	JYRQMSIMVWBUDA-YPMHNXCESA-N	314.345	1.741	50	20	DDGD	
O=C(NNC(=O)c1ccc(C(F)(F)F)cn1)NC1CCCC1	299305696	BJDVEINFTPHZEY-UHFFFAOYSA-N	316.283	1.987	50	20	DDGD	
Cn1cnc(C(=O)NNc2ccnc3cc(Cl)ccc23)n1	809998700	UCMSATQQFFCLEU-UHFFFAOYSA-N	302.725	1.774	50	20	DDGD	
CCCCc1nnc(NC(=O)NNC(=O)[C@@H]2CCCO2)s1	292918525	XREWJMWQPUSCMF-QMMMGPOBSA-N	313.383	1.212	50	20	DDGD	
CC(C)(CC(=O)NNC(=O)Cc1cn2ccccc2n1)C1CC1	293310792	UDZXAKDEEZBBHB-UHFFFAOYSA-N	314.389	1.851	50	20	DDGD	
COCCc1ccc(OC[C@@H](O)CN2CC=C(C#N)CC2)cc1	293817477	ORVKPRQPKODCQE-KRWDZBQOSA-N	316.401	1.771	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C2(C(F)(F)F)CCC2)n1	295120245	IRVHVTRXTSEEBD-UHFFFAOYSA-N	301.268	1.884	50	20	DDGD	
CON=CC(=O)NNc1nc(-c2ccccn2)nc(C)c1C	809679115	ASWIVMDAXNVMIP-UHFFFAOYSA-N	300.322	1.231	50	20	DDGD	
COc1cccc(C2(C(=O)NNc3nccnc3OC)CC2)c1	807251921	MCZUYXOTOZNXGE-UHFFFAOYSA-N	314.345	1.669	50	20	DDGD	
CC(C)(Cc1ccccc1)C(=O)NNC(=O)[C@@H]1CCCCO1	295714514	KEITUOSDZOPPHL-AWEZNQCLSA-N	304.390	1.972	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)CC2CC2)cc(OC)c1C	297142434	SQJRAMMSWDEDEL-UHFFFAOYSA-N	307.350	1.965	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNC(=O)[C@@H]2CCCCO2)s1	295566833	NGPXEJYKPBIRAY-LBPRGKRZSA-N	324.402	1.736	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2ccccn2)ccc1F	806968108	XPQNRFUJPGSFHJ-UHFFFAOYSA-N	302.309	1.865	50	20	DDGD	
CCCc1nnc(SCC(=O)NNc2cccc(F)c2)n1N	292042498	DSJHEOIVAPLSNP-UHFFFAOYSA-N	324.385	1.319	50	20	DDGD	
C[C@@H](CN(C)C)NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	807577271	KMTWVELEMRFLTM-LBPRGKRZSA-N	320.437	1.878	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1CCCc2nc(N)sc21	814758295	OLLIDEHIUVONIW-UHFFFAOYSA-N	309.439	1.614	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCCC2(O)CCC2)cc1	817173347	LVGPKVNDJOROOZ-UHFFFAOYSA-N	319.405	1.888	50	20	DDGD	
COC1([C@H](C)NC(=O)NNc2cccc(F)n2)CCOCC1	817173300	KSPOEMLHVJQILY-JTQLQIEISA-N	312.345	1.431	50	20	DDGD	
O=C(NCc1ccc([N+](=O)[O-])cc1)NNc1ncncc1F	814279693	KPGBOLZBRSNLNR-UHFFFAOYSA-N	306.257	1.350	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)c2cccc(Cl)c2)n1	814724504	PTOHOUVEVGHHQL-UHFFFAOYSA-N	307.741	1.335	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)OCCOCCC#N)cc(C#N)n1C	815184863	LEWKUYFRBGEXSR-RIYZIHGNSA-N	312.329	1.586	50	20	DDGD	
CSCc1cccnc1C(=O)NNc1ncnc2[nH]cnc12	810424505	OXTDWNRRNBXRGV-UHFFFAOYSA-N	315.362	1.368	50	20	DDGD	
Cn1nncc1NNC(=O)Cc1c(Cl)cccc1Cl	816772050	LCZXMOZXEBPQTJ-UHFFFAOYSA-N	300.149	1.808	50	20	DDGD	
C[C@H]1C(=NNC(=O)CN(C)C)CCCN1Cc1ccccc1	814832091	DPWVPSIRCSORKJ-AWEZNQCLSA-N	302.422	1.705	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)Cc1ccc(Cl)cc1	812451543	IFRLHMLKQCIWIX-QWRGUYRKSA-N	312.797	1.949	50	20	DDGD	
CCCN1C[C@@H](CNC(=O)NNC(=O)CC(C)(C)C)CC1=O	817173434	RFWQGHCOXUTWLY-LLVKDONJSA-N	312.414	1.012	50	20	DDGD	
O=C(CCc1ncccn1)NNC(=O)c1ccc(Cl)cc1F	812527156	ZQDGDFSRVXQGQC-UHFFFAOYSA-N	322.727	1.663	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NC[C@@H]1CCN(C(N)=O)C1	819786636	CLFPDHNSOHZJNO-DTWKUNHWSA-N	320.231	1.313	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2ccc(C#N)cc2)ccc1O	813429477	GJEIPEAPVMVWRV-UHFFFAOYSA-N	309.325	1.901	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@](C)(C#N)CC(=O)O)c1ccccc1	819846759	GJQDPKNASGOWER-MRXNPFEDSA-N	317.345	1.116	50	20	DDGD	
COC(=O)[C@H]1C[C@H]2CC(=NNC(=O)c3ccc(N)cc3)[C@H]1C2	817321804	ATJNABZROMCCAE-XDTLVQLUSA-N	301.346	1.574	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=C2CCS[C@H]2C)C[C@@H](C)O1	814766356	IHVSUBDEQIFTRI-RVMXOQNASA-N	313.467	1.729	50	20	DDGD	
CN1CCC(CC(=O)NNC(=O)NCCc2cccs2)CC1	813424067	FSCFWFWGOJRHLJ-UHFFFAOYSA-N	324.450	1.353	50	20	DDGD	
CC(=O)N[C@@H](CC(=O)NNC(=O)c1ccc[nH]1)c1cccs1	822066448	NAFVCBXXWYGVES-NSHDSACASA-N	320.374	1.105	50	20	DDGD	
CC(C)C(=O)NNC(=O)COc1cccc(C(F)(F)F)n1	829304739	CMVJAPQIHLNQDW-UHFFFAOYSA-N	305.256	1.283	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1cccc(NC(=O)NN(C)C)c1	491160966	MTCYISQBQFHBOT-KHPPLWFESA-N	317.349	1.667	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](COC(=N)O)Cc1ccccc1	490971021	IGZYIJPBIMOYNG-JWAFFJSPSA-N	317.345	1.667	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H](C)NC(=O)C2CCCCC2)n1	822193835	VEGOVLOFMRGQON-LBPRGKRZSA-N	319.409	1.622	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc2cc[nH]c2n1	826448741	JFJYYRZHANIPQL-UHFFFAOYSA-N	320.316	1.500	50	20	DDGD	
CCCN(CCC)C(=O)CCCC(=O)NN(C)C(=O)OC	495694271	ZKTIBYRDUQTHQL-UHFFFAOYSA-N	301.387	1.535	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@H]1COc2cc(F)ccc2C1	822519112	YFKUINXOKIESHY-LLVKDONJSA-N	309.341	1.506	50	20	DDGD	
CC(=O)Nc1cccc(CC(=O)NNC(=O)OC(C)(C)C)c1	496101246	JDQSSAFWKSQAIO-UHFFFAOYSA-N	307.350	1.743	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(CNC(=O)OC(C)C)cc1	495307462	OYAIEZRHODAQNJ-UHFFFAOYSA-N	322.365	1.884	50	20	DDGD	
CCn1ncnc1CNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	490702164	YLIJVINUGVMNBI-ACAGNQJTSA-N	323.360	1.040	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C/c1ccc(-c2nn[nH]n2)cc1F	820091844	BJIUOYVQFKEWSL-LFYBBSHMSA-N	314.324	1.685	50	20	DDGD	
CC[C@H](C)[C@@H](NC(=O)c1cc(B(O)O)ccc1F)C(F)(F)F	584984076	XMLSFPNYVQUMSY-WRWORJQWSA-N	321.079	1.212	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@]2(C)CCO[C@H]2C2CC2)cn1	491081655	HIODXXKKYNJMCN-IWPSQPJSSA-N	314.389	1.648	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1cnn(C)c1C	494451534	HTLVAXZRZYTHKL-UHFFFAOYSA-N	309.370	1.093	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)N[C@H]2CO[C@H](C)C2)cc1	827611780	CKMMGNMCTWLZDE-DGCLKSJQSA-N	321.377	1.136	50	20	DDGD	
C[C@@]1(C(=O)NCC2(CO)CCOCC2)C[C@H]1Br	907098451	FZAZXLMSMSEZMF-MWLCHTKSSA-N	306.200	1.065	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CC[C@H](C#N)C2)cc(C#N)n1C	491135205	SNEWZBFGDIEJTG-JMIOORHUSA-N	307.357	1.921	50	20	DDGD	
CCN(CCS(C)(=O)=O)C(=O)[C@@]1(C)C[C@H]1Br	907114783	GDVOZOVBBSUTSW-SCZZXKLOSA-N	312.229	1.053	50	20	DDGD	
Cn1ccnc(NNC(=O)C2CC(c3ccc(F)cc3)C2)c1=O	826620971	XPWDWQKOEZPYJP-UHFFFAOYSA-N	316.336	1.556	50	20	DDGD	
C#C[C@H](CC)NC(=O)NNC(=O)CCc1ccc(OC)cc1	491804072	KPGQMGVVYGEUDV-CYBMUJFWSA-N	303.362	1.370	50	20	DDGD	
CCCN1CCCN(C(=O)[C@]2(C)C[C@@H]2Br)CC1=O	907665174	LDQNKGUHRAPNTP-GXFFZTMASA-N	317.227	1.631	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2CCCN(Cc3ccccc3)C2)c1	585026045	BTGBDBWWYFXCFI-LJQANCHMSA-N	324.233	1.121	50	20	DDGD	
CC[C@H](C)c1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cc1	585061523	ZSXQOMDKNQEFIU-AAEUAGOBSA-N	311.212	1.438	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1Cc2ccccc2C(F)(F)C1	828392040	IRDDZEDTHNCCLG-UHFFFAOYSA-N	311.332	1.397	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)OC(C)(C)C)c1ccn(C)n1	495892231	LFOPJEDDHVOCIY-UHFFFAOYSA-N	323.397	1.565	50	20	DDGD	
CCN(CCCN1CCCC1)C(=O)/C(C#N)=C\c1cnn(C)c1	491175692	MEYJARROINIVQZ-WJDWOHSUSA-N	315.421	1.661	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)NNc1ncccn1	496322215	IUQOYMPELDVSKF-QWRGUYRKSA-N	321.381	1.613	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cc(O)cs2)cc1C	731861978	VJEVNVMCBOQQDB-UHFFFAOYSA-N	320.370	1.911	50	20	DDGD	
O=C(NN=Cc1ccc(CO)o1)c1cnn(-c2ccccc2)c1	739411925	TVXSMJVIVJYWLF-UHFFFAOYSA-N	310.313	1.722	50	20	DDGD	
CC[C@@H](C)[C@@H](C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C	495086059	JZVLBYXYRXZIAD-NXEZZACHSA-N	301.387	1.341	50	20	DDGD	
COC(=O)[C@@H](CC1CC1)NC(=O)/C(C#N)=C\c1ccc(O)cc1	491044432	CBYLKMREHCWAEF-JEMSNHSXSA-N	314.341	1.757	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2ccc(CO)o2)o1	739409498	GFRYYPZTIPWWEL-UHFFFAOYSA-N	319.361	1.971	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NC[C@H](O)c2ccco2)cc(C#N)n1C	491013450	UJCQXVMRPDPEHU-OEWWAVFSSA-N	324.340	1.555	50	20	DDGD	
CC(C)(CC(=O)O)CC(=O)NNC(=O)CCc1ccccc1O	833454267	IDKANZTXXVHKML-UHFFFAOYSA-N	322.361	1.363	50	20	DDGD	
OB(O)c1ccc(CN[C@H](c2ccccn2)C2CCCC2)o1	585027794	ZXMXLSHLLMENBP-INIZCTEOSA-N	300.167	1.376	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@@H]1CC12CCNCC2	831179204	AJRSXPHDPDQTSB-CQSZACIVSA-N	316.405	1.010	50	20	DDGD	
CCc1ocnc1C(=O)NNc1nc(-c2ccncc2)no1	739708850	HXUJGWONYJJJLA-UHFFFAOYSA-N	300.278	1.439	50	20	DDGD	
COC(=O)c1cc(OC(=O)c2ccnn2C)ccc1[N+](=O)[O-]	732651267	CFQNZAUCQHNYKI-UHFFFAOYSA-N	305.246	1.334	50	20	DDGD	
CSc1ccccc1[C@@H](C)NCc1cccc(B(O)O)c1	585041495	DKGVVTQJQYLWJH-GFCCVEGCSA-N	301.220	1.939	50	20	DDGD	
CC(C)NC(=O)NN=C1CCN(Cc2ccccn2)C[C@@H]1C	734365950	YWWWGDCAAJVLHU-ZDUSSCGKSA-N	303.410	1.987	50	20	DDGD	
COCCN(C)c1ccc(C=NNC(=O)[C@@H]2CCCCO2)cn1	834985746	JWOBHSZLPWFZHL-AWEZNQCLSA-N	320.393	1.183	50	20	DDGD	
Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2ccc(B(O)O)cc2)C1	584950166	PXZIPFNTUZPKHX-HOCLYGCPSA-N	323.201	1.693	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cc(CC(C)C)c[nH]2)n1	839470897	RHWPSCWYUXWVGI-UHFFFAOYSA-N	317.393	1.488	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H](C(=O)NNC(=O)C1CCC1)C2	732141525	SDPKQAIWALDLCW-LBPRGKRZSA-N	304.346	1.194	50	20	DDGD	
COC(=O)[C@H](NNC(=O)c1ccccn1)c1ccc(F)cc1	735508091	UHZMLPFETYIXKW-CYBMUJFWSA-N	303.293	1.369	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1nc(CC(=O)O)cs1	736251123	PVUIZJBIJCMPHL-UHFFFAOYSA-N	314.367	1.359	50	20	DDGD	
C[C@@H]1CCC[C@@H](O[C@H](C)C(=O)Nc2cccc(B(O)O)c2)C1	584910520	CCEJXGJCBNEJRG-LALPHHSUSA-N	305.183	1.289	50	20	DDGD	
C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CC[C@H](B(O)O)C1	585074476	AHPIXYGRHJPJRG-OCCSQVGLSA-N	319.210	1.827	50	20	DDGD	
Cc1nn(CCC#N)c(C)c1CCC(=O)NNC(=O)C1CCC1	732142110	SOXUITGQTHZWCX-UHFFFAOYSA-N	317.393	1.294	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)CC1	831948747	CATRCGURNZEQKN-UHFFFAOYSA-N	319.317	1.327	50	20	DDGD	
CCOc1ccc(NNC(=O)NC[C@H]2CCOC[C@H]2OC)cc1	838661176	WOJMHZKKCQKGTI-IUODEOHRSA-N	323.393	1.763	50	20	DDGD	
Cc1cc(F)c2c(c1)C(=NNC(=O)[C@@H]1CCCCO1)C(=O)N2	834988629	LKJXMVWSTKAEAM-NSHDSACASA-N	305.309	1.476	50	20	DDGD	
CON1CCC(=NNC(=O)Nc2ccc(C(=O)O)cc2)CC1	834960149	GOOQFVLOXSANIH-UHFFFAOYSA-N	306.322	1.520	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(C)(C)c2ccccc2)c(O)n1	731173431	QRDFCPUZHMRWSB-UHFFFAOYSA-N	313.357	1.834	50	20	DDGD	
CN1CCCC[C@@H]1C(=O)NNc1nc(-c2ccncc2)no1	732281776	DFKDAQSFCZVKGF-LLVKDONJSA-N	302.338	1.059	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@@H]1CCN1C(=O)OC(C)(C)C	832139224	SCQHHYAUZKVGIS-IIANPFDCSA-N	309.366	1.556	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C=NNC(=O)[C@H]2CCCCO2)c1C	834989159	QRBDTMLOTNPBEO-CYBMUJFWSA-N	321.377	1.827	50	20	DDGD	
C[C@H](OC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)OC(C)(C)C	837970687	GLCAEFBFOYNVIP-OGGBREFQSA-N	305.334	1.600	50	20	DDGD	
CCc1csc(-n2cc(C(=O)NN(C)CCOC)cn2)n1	837626459	LCZMZGJGJGIEJF-UHFFFAOYSA-N	309.395	1.114	50	20	DDGD	
O=C(NN=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCCCO1	834985393	IAJZJDSLWJIXEY-GFCCVEGCSA-N	322.277	1.522	50	20	DDGD	
CCNCCNC(=O)NNc1cccc(Br)n1	841934727	IKHLJZJISUNAIY-UHFFFAOYSA-N	302.176	1.080	50	20	DDGD	
COC[C@]1(CNC(=O)NNc2ccc(Cl)nc2)CCCN1	841993674	LBCYDBOPECZMNK-CYBMUJFWSA-N	313.789	1.130	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)OCCN2CCOC2=O)c1	913263624	HOIZTSPNSISFEW-UKTHLTGXSA-N	316.313	1.598	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CCc2ccc(F)cc21	748789326	NNRBRJRQZYZCDR-UHFFFAOYSA-N	305.353	1.897	50	20	DDGD	
C[C@@H](C(=O)NNc1ccnc(N(C)C)n1)c1cccc(F)c1	743484322	NFDPMKHQZOBBNG-SNVBAGLBSA-N	303.341	1.929	50	20	DDGD	
O=S(=O)(N[C@@H](CO)CCF)c1ccc(CCCl)cc1	846015789	XMNXFQBIOHKHIU-LLVKDONJSA-N	309.790	1.467	50	20	DDGD	
CCOc1ccc(C(C)=NNC(=O)[C@@H](C)OCCOC)cc1	748253192	MANBBDKEHGYPDG-CYBMUJFWSA-N	308.378	1.977	50	20	DDGD	
COC(=O)/C=C/c1ccc(/C=C(\C#N)S(=O)(=O)NC2CC2)o1	848642195	SHPCAOACGGKWJX-GTTXMNNRSA-N	322.342	1.412	50	20	DDGD	
Cc1cc2c(cc1C)[C@@H](C(=O)NNC(=O)c1ncccn1)CO2	841350931	VRNNPCCLWQYTTA-LBPRGKRZSA-N	312.329	1.031	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@H](C)n2ccnc2)nc1	845889634	WQALGFUBTSQUQG-JTQLQIEISA-N	303.322	1.159	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCN(c2ccccc2)C1	843662401	SJSYZLCLKCPSTP-KCQAQPDRSA-N	317.389	1.085	50	20	DDGD	
O=C(CC1(O)CCCC1)NNc1ccc(Br)nc1	749242010	PWXUFWSZNGGJGZ-UHFFFAOYSA-N	314.183	1.982	50	20	DDGD	
CC(C)C[C@@H](C(=O)NNC(=O)N1CCOCC1)c1ccccc1	740820005	NGIFQGFQRMUMPA-OAHLLOKOSA-N	319.405	1.889	50	20	DDGD	
CO[C@](C)(C1CC1)[C@H](C)NC(=O)NNc1ccc(Cl)nn1	840416868	NGVNHLZNFGIMEM-SDBXPKJASA-N	313.789	1.960	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC12CCCC2)c1ccc2c(c1)OCCO2	747294963	QYXLTGDBAINJIH-GFCCVEGCSA-N	316.357	1.799	50	20	DDGD	
COc1cc(OC)c(/C=C(/C#N)S(=O)(=O)N(C)C)cc1F	844553471	UACGDBLRGVOZLL-YHYXMXQVSA-N	314.338	1.599	50	20	DDGD	
COCC1(CC(=O)NNc2cc(O)nc3ncccc23)CC1	913987770	JBJWWOSPDXZWES-UHFFFAOYSA-N	302.334	1.595	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCCOc1ccc(F)cc1F	910167914	KHNLICJYUKKJKW-SNVBAGLBSA-N	302.321	1.468	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc(N=c2cc[nH]cc2)cc1	746246133	JTSDEPCYPHJTIX-UHFFFAOYSA-N	310.357	1.808	50	20	DDGD	
COCCn1cc(C=NNC(=O)c2cccc3ncccc23)cn1	743439631	DVNDBELYSIJOCZ-UHFFFAOYSA-N	323.356	1.842	50	20	DDGD	
COCCOCCN1CCN(/C(=C/C#N)c2ccccc2)CC1	844467078	JFIUQIFMYIAIFJ-CNHKJKLMSA-N	315.417	1.832	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1ccc(F)cc1Cl	843654342	RBCLFBBQRUQDQH-KCJUWKMLSA-N	314.744	1.594	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cc2c(nc1O)CCC2	748005807	PMRGIFDGNBHCLI-UHFFFAOYSA-N	314.301	1.941	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cc1ccc2c(c1)CCCC2	843646317	KCYRUXCHMUEZGM-MLGOLLRUSA-N	316.401	1.680	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1cc(-c2ccccn2)no1	751066473	HBQLDBUZCRXRRI-UHFFFAOYSA-N	316.708	1.937	50	20	DDGD	
N#CSCCCNC(=O)c1cn(CCc2ccccc2)nn1	854360539	ZROYXYPTCDDOSI-UHFFFAOYSA-N	315.402	1.855	50	20	DDGD	
O=C(NC[C@H]1CCCCO1)NNc1ccc([N+](=O)[O-])cc1F	853484541	NRICJIVDFAVACX-SNVBAGLBSA-N	312.301	1.929	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1ncccc1O	750663922	RHFSGUMGGGCOFY-SECBINFHSA-N	319.292	1.155	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc3ncccc23)C1	858985173	RSTMQTOHBDVMQB-XYPYZODXSA-N	314.345	1.356	50	20	DDGD	
O=C(COc1ccccc1F)NN=Cc1cnc2ncccn12	755511406	TXQAAOWRWXLOOM-UHFFFAOYSA-N	313.292	1.398	50	20	DDGD	
CCOC(=O)[C@H](C[C@H](C)CC)NS(=O)(=O)CCCCl	921382446	DJNNZAQGRUKTDL-MNOVXSKESA-N	313.847	1.903	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)N[C@H](CO)C1CCCCC1	852709469	WDRPVESKVVRGDV-GFCCVEGCSA-N	324.356	1.106	50	20	DDGD	
CCc1nc(C=NNC(=O)Cc2cccnc2)c2ccccn12	755696578	QLQRYLUTDHNFKG-UHFFFAOYSA-N	307.357	1.985	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NN=C1COC(C)(C)C1	853377861	IJWQAZODPHSELX-TZMCWYRMSA-N	320.393	1.559	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCCOC[C@H]1CCCO1	853745200	OTYLDWIHZHQIAZ-CYBMUJFWSA-N	311.357	1.956	50	20	DDGD	
O=C(NN=Cc1c(C2CC2)nc2sccn12)c1cnccn1	755632505	PDELMFYFEHAPLW-UHFFFAOYSA-N	312.358	1.827	50	20	DDGD	
CC(C)(C)C(=O)Nc1nccnc1C(=O)NNc1cccnn1	753078633	LAZSUDHZXAGOMI-UHFFFAOYSA-N	315.337	1.008	50	20	DDGD	
O=Cc1cc(C(=O)NNC(=O)COc2ccc(F)cc2)cs1	754974918	USGPEDXARUMZFZ-UHFFFAOYSA-N	322.317	1.540	50	20	DDGD	
CC(C)O[C@@H]1CC(=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)C1(C)C	853389652	RFIZRFUIFYRCSA-VNHYZAJKSA-N	323.437	1.545	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNc2cc(Cl)nc(N)n2)ccn1	753454587	VPGWQWAHFGGGJY-UHFFFAOYSA-N	322.756	1.651	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cc(C(F)(F)F)n[nH]1	855000565	KLFNNFMGDQIBCV-UHFFFAOYSA-N	304.150	1.142	50	20	DDGD	
O=C1N[C@H]2CCN(C[C@H](CBr)C3CC3)C[C@@H]2CO1	859291296	GDOMLLBEAMSNRN-TUAOUCFPSA-N	317.227	1.838	50	20	DDGD	
C[C@]1(CNC(=O)C[C@H]2CCC(=O)NC2)C[C@@H]1Br	857385831	MHPKTBRLDNLOEK-VDDIYKPWSA-N	303.200	1.192	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC[C@@H]1c1ccc(F)cc1	852393560	HFJFZLUFTOIPTI-ZLKJLUDKSA-N	321.352	1.738	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C(C)(C)SC)c1	856793636	NIKXEFLAZNFELR-UHFFFAOYSA-N	311.407	1.396	50	20	DDGD	
Cc1cc(CNC(=O)NC[C@]2(C)C[C@H]2Br)ncn1	856844016	ISTIUBWEGMVLDA-PWSUYJOCSA-N	313.199	1.758	50	20	DDGD	
C[C@@H]1CCCN(c2cc(C(=O)NNc3cnnn3C)ccn2)C1	857270416	BKSCXMJLZXLGSV-LLVKDONJSA-N	315.381	1.203	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1nc(Cl)cs1	758116063	DBAZFFPDFITLBD-UHFFFAOYSA-N	302.787	1.551	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=S)NCC1CCC1)c1ccccc1	855092347	AZNBJOCOWYHLBL-HNNXBMFYSA-N	307.419	1.190	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NNc1ccccc1Cl	766278621	ZFYUTPKMKIWXIW-MWLCHTKSSA-N	310.785	1.881	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)c1ccc(OC2CCCC2)nc1	862470252	CGEJYTQNUMINAE-UHFFFAOYSA-N	315.333	1.201	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CCOC2CCOCC2)c1	862478696	MKLFQNGLLAIELY-UHFFFAOYSA-N	312.391	1.403	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc2c1ccn2C	764083778	KBGSSUCMQUUUQJ-SNVBAGLBSA-N	316.361	1.310	50	20	DDGD	
CC(C)n1cnnc1SCC(=O)NNc1ncc(F)cn1	760912166	NPBVZUBUDPLLDB-UHFFFAOYSA-N	311.346	1.024	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCc1ccc(C(N)=O)cc1	866407048	HYPYMWZYFNESFU-UHFFFAOYSA-N	318.826	1.470	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cnccc2C)n1	762915907	LWAQFVLSZIDRLF-UHFFFAOYSA-N	300.366	1.783	50	20	DDGD	
COC[C@](C)(NC(=O)NNc1nc(C)cc(C)n1)C(F)(F)F	932338187	WMIBSLVDMJABMU-NSHDSACASA-N	321.303	1.687	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)N2CCOCC2)[C@@H](C)C1	761261736	POXORCKTQBPUPS-NWDGAFQWSA-N	311.382	1.384	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1cn(C2CC2)nn1	860401933	VLEBLLLZZWMTRC-UHFFFAOYSA-N	313.243	1.179	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC[C@@H](n2cncn2)C1	867131773	NASRPHMOUPOABL-SNVBAGLBSA-N	306.819	1.120	50	20	DDGD	
CCO[C@H](C(=O)NNc1ccc(CC(=O)OC)cc1)C1CC1	862123037	NBHOXIJWTGSLBW-HNNXBMFYSA-N	306.362	1.660	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)CSc1ccccc1O)C1CC1	860491217	DUMCVVRQLTXPNU-AWEZNQCLSA-N	324.402	1.447	50	20	DDGD	
O=[N+]([O-])c1cc(COc2ccc(B(O)O)cc2)ccc1Cl	864048407	VXSLAXKIKGPDRK-UHFFFAOYSA-N	307.498	1.507	50	20	DDGD	
C[C@H](NNC(=O)c1ccc(N2CCOCC2)cc1)C(F)(F)F	862309702	TZEUJHDKFHICGW-JTQLQIEISA-N	317.311	1.708	50	20	DDGD	
COc1ccnc(NNC(=O)CSc2ccccc2OC)n1	763736258	ZDZIZPUFVVFOLW-UHFFFAOYSA-N	320.374	1.729	50	20	DDGD	
COc1cccc(NNC(=O)c2cc([C@@H]3CCCN3C)[nH]n2)n1	1119623339	COSDZMIRHTXPHH-LBPRGKRZSA-N	316.365	1.337	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](C)CCOCc1ccccc1	875586934	ZPHVQOLUAPJNMI-LBPRGKRZSA-N	309.366	1.894	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H]2CCc3cc(O)ccc3C2)cc[nH]1	875536247	RBBWBARRADCXII-CQSZACIVSA-N	312.373	1.701	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CS[C@H]2CCCOC2)cc1	779829377	VCXYRGWKUOOZJN-ZDUSSCGKSA-N	308.403	1.668	50	20	DDGD	
CCc1ccnc(C(=O)NNc2ccccc2S(C)(=O)=O)c1	775543378	UICKXMMUBJAURN-UHFFFAOYSA-N	319.386	1.804	50	20	DDGD	
CS[C@@H](C)CCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	773153553	HVMDMSAZVDAAGR-VIFPVBQESA-N	311.363	1.888	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@H](C)CN2CCC[C@H](C)C2)cc[nH]1	875144521	QIZKQZMBQUFYMJ-GXTWGEPZSA-N	305.426	1.558	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)C2C3CC4CC(C3)CC2C4)CC1	773659013	RCMQERWJKKNCHE-UHFFFAOYSA-N	320.437	1.047	50	20	DDGD	
C[C@@H]1CCCCN1CCCCNC(=O)NNC(=O)c1cn[nH]c1	1118858905	YDTYRALPBRPJFM-GFCCVEGCSA-N	322.413	1.008	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@](C)(OC)c1ccccc1	772095581	KNAUCIASGBRIGV-ZBEGNZNMSA-N	322.361	1.037	50	20	DDGD	
O=C(NC[C@@H]1COCCO1)NNc1c(F)cccc1Cl	771301070	RHEDBPJRXCLHJE-MRVPVSSYSA-N	303.721	1.521	50	20	DDGD	
CCCCN1CCCC[C@H]1CNC(=O)NN(C)C(=O)OC	875260798	ZWFXQYXWDDYASP-LBPRGKRZSA-N	300.403	1.553	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1CCCOc2c(F)cccc21	875467190	HZZCAJYBFUXBLR-LLVKDONJSA-N	311.313	1.952	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc2nc(C)ccc2c1	872401229	LWQYNNOMPCDFLS-UHFFFAOYSA-N	301.346	1.656	50	20	DDGD	
CCCCNc1ccccc1C(=O)NNC(=O)c1cccnn1	882056806	FMHOMEWWIHONPW-UHFFFAOYSA-N	313.361	1.763	50	20	DDGD	
N#Cc1ccc(Cl)c(C(=O)NNC(=O)C2CCOCC2)c1	883070207	IWMPGSZRUFEIIB-UHFFFAOYSA-N	307.737	1.399	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc(OC)nc2C)n1	775672073	CTEJBCWCIVPZIE-UHFFFAOYSA-N	304.310	1.346	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ccc(Cl)cc2F)CC1	885106807	JBBPJJPBOUVFDH-UHFFFAOYSA-N	306.746	1.499	50	20	DDGD	
O=C(/C=C\c1ccc(O)c(O)c1)NNC(=O)NCc1ccco1	779504095	ZGNFKWVRIIHNGB-XQRVVYSFSA-N	317.301	1.235	50	20	DDGD	
CC(C)(C)c1ncsc1C(=O)NNC(=O)C1CCOCC1	883064557	HIIIUMIWTXLZBY-UHFFFAOYSA-N	311.407	1.628	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCOCC(F)(F)C(F)F	887147911	HNKQFGPAWCOYQW-UHFFFAOYSA-N	312.263	1.244	50	20	DDGD	
CSCC1CCN(C(=O)NNC(=O)Cc2cccnc2)CC1	1121945125	VIIOVUXSGSXWRC-UHFFFAOYSA-N	322.434	1.440	50	20	DDGD	
COC(=O)c1ccc2c(c1)CCN(S(=O)(=O)CCl)C2	882658244	HZWWOYZVRYCZRK-UHFFFAOYSA-N	303.767	1.357	50	20	DDGD	
CS[C@H]1CCC[C@H](NC(=O)NNC(=O)c2cccnn2)C1	883425243	PNJQLDAPRWAVOF-UWVGGRQHSA-N	309.395	1.095	50	20	DDGD	
COc1cccc(NNC(=O)Nc2ccc(C(N)=O)c(F)c2)n1	780550114	GWIMZFGKVCLVPW-UHFFFAOYSA-N	319.296	1.477	50	20	DDGD	
C#CC1CCN(c2nnnn2C[C@]2(C)C[C@@H]2Br)CC1	1120324954	PUORPGJNQSHUGM-AAEUAGOBSA-N	324.226	1.696	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(C(C)C)n(C)n2)cc1O	882048923	HYGYHLUHYFEZHN-UHFFFAOYSA-N	316.361	1.632	50	20	DDGD	
O=C(NNc1cccc(F)c1F)N[C@H]1CCCC12OCCO2	889515889	IQWBAFQPVGCPFS-NSHDSACASA-N	313.304	1.887	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1ccccc1OC(F)F	887144752	YOAWJOGWDDQVFK-UHFFFAOYSA-N	310.300	1.781	50	20	DDGD	
C[C@@H]1C(=O)Nc2cc(C(=O)NN=c3cc[nH]cc3)ccc2N1C	780761382	WJHDEMWPBIMTBD-SNVBAGLBSA-N	311.345	1.037	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@H](OC)C(F)(F)F)nc1	780989142	XBHDNHUDTRGEGU-QMMMGPOBSA-N	308.260	1.294	50	20	DDGD	
O=C(NCCNS(=O)(=O)CCCCl)c1ccccc1F	881805752	QTDSSIHRZGIOND-UHFFFAOYSA-N	322.789	1.104	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C/c1cc(Br)nn1C	782351577	LPEVPBDYOYETES-WEVVVXLNSA-N	318.196	1.872	50	20	DDGD	
C[C@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)CBr	782465044	VCDKUPNTFBLDPR-MWLCHTKSSA-N	322.224	1.423	50	20	DDGD	
O=C(/C=C/c1nccs1)NNc1ccc(-n2ccnc2)nn1	1123724950	PIOOMZBKOLZTMO-ONEGZZNKSA-N	313.346	1.275	50	20	DDGD	
Cc1ccncc1[C@@H](C)NCC(=O)NNC(=O)c1ccccc1	782999271	OFBSUWLKRQNREB-CYBMUJFWSA-N	312.373	1.502	50	20	DDGD	
COc1ccccc1CC(=O)NN=C(C)c1cc(C)nn1C	788994928	LTDDOPALCUFQTQ-UHFFFAOYSA-N	300.362	1.820	50	20	DDGD	
COC(=O)c1ccccc1CC(=O)NNc1ncncc1Cl	781820563	YQHACRGVVQJMJH-UHFFFAOYSA-N	320.736	1.602	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1ccc(O)cc1O	780937885	HAYCDBPMMHEBJL-UHFFFAOYSA-N	313.273	1.300	50	20	DDGD	
COCc1csc(C(=O)NNC(=S)NC(C)(C)C)c1	899999449	NERDEBAFWRGREO-UHFFFAOYSA-N	301.437	1.802	50	20	DDGD	
CSc1ccccc1CC(C)=NNC(=O)C(=O)NC1CC1	782899627	AWZBDRAFZHPZPG-UHFFFAOYSA-N	305.403	1.722	50	20	DDGD	
CC1CC(C#N)(C(=O)NNc2nnc(-c3ccccn3)s2)C1	788566493	BUUNFOMOEIFHJR-UHFFFAOYSA-N	314.374	1.983	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cccc(C(N)=O)n1	781800566	UHOJJJVWJPJFEG-UHFFFAOYSA-N	317.257	1.317	50	20	DDGD	
O=C(NNC(=O)C1CCC(NC(=O)C2CC2)CC1)C1CCCC1	793029555	WDKIXDASRUHTQB-UHFFFAOYSA-N	321.421	1.409	50	20	DDGD	
CC(C)(O)C(=O)NN=C(C[C@@H]1CCOC1)c1ccc(F)cc1	793041039	KKCBOXPWFULBTE-NSHDSACASA-N	308.353	1.844	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(F)c(F)c(F)c1F	798306594	MUIVJECONNFSIG-UHFFFAOYSA-N	307.272	1.538	50	20	DDGD	
COCc1cc(C=NNC(=O)CNc2ccccc2OC)no1	794865348	IEADBGNUSUBGQT-UHFFFAOYSA-N	318.333	1.392	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@H](C)NC(=O)OC(C)(C)C	792241486	MCPHAALJJJFFOS-SNVBAGLBSA-N	316.402	1.276	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNc1cccc(S(C)(=O)=O)c1	793778389	BUDKIDCCXZEUEA-GWCFXTLKSA-N	314.407	1.594	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)Cc2cnc(C)s2)n1	793231517	PGGRPQODEZOBBD-UHFFFAOYSA-N	319.390	1.641	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1Cc2ccccc2O[C@@H](C)C1	795431321	NVASVJSHDYCRDQ-RYUDHWBXSA-N	305.378	1.215	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCC(F)(F)F)C1CCOCC1	798316540	ONCPPUCWBCYHEN-UHFFFAOYSA-N	311.304	1.332	50	20	DDGD	
O=C(NCCc1cccs1)NN=C1CC(=O)N2CCCC[C@H]12	799478021	PGGQBSLGUUFVCN-CYBMUJFWSA-N	320.418	1.731	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2cc(Cl)cc(Cl)c2)C1=O	791732115	CIFBHUBOEOJRIZ-JTQLQIEISA-N	302.161	1.915	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1cccc(C(N)=O)c1	798312786	LWIHLRXVVRVRDN-UHFFFAOYSA-N	312.329	1.560	50	20	DDGD	
CCOCC(=O)NN=Cc1cn(CC(=O)O)c2ccccc12	799879622	JJABUFSHLMRJKR-UHFFFAOYSA-N	303.318	1.213	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)c1ccccc1	792775347	KNGBEEQHYZRAQJ-PVTPJBLHSA-N	308.381	1.842	50	20	DDGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cn(C)cn2)cc1OC	798231785	KPFUCAKFIFOSHX-WDZFZDKYSA-N	312.329	1.983	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(F)c(Br)c(Cl)c1	795527005	HTWBBDFRRBGRHB-UHFFFAOYSA-N	324.537	1.815	50	20	DDGD	
Cn1c(Cl)cnc1C=NNC(=O)CCN1CCCCCC1	799471328	GDLNTYXCDXZYTM-UHFFFAOYSA-N	311.817	1.790	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)C(=O)NC1CC1	794622140	WXDXGJCEKXYLJC-KGYLQXTDSA-N	307.394	1.019	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1c(C(C)C)nn(C)c1Cl	1318689876	VRVLLXBRRNZXNX-UHFFFAOYSA-N	317.846	1.714	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNc1ccccc1S(C)(=O)=O	1319733560	XIRKCENFODIWKR-UHFFFAOYSA-N	322.390	1.143	50	20	DDGD	
O=C(NNC(=O)c1c[nH]nc1-c1ccncc1)NC1CCCC1	1318933503	NWATWXFUGMJGGJ-UHFFFAOYSA-N	314.349	1.358	50	20	DDGD	
CC(C)(C=NNC(=O)COc1ccc(F)cc1)S(C)(=O)=O	1319705916	TYRZSMKPCMXCDU-UHFFFAOYSA-N	316.354	1.130	50	20	DDGD	
O=C(NNC(=O)[C@]1(F)CCOC1)c1cc2ccccc2cc1O	1328878124	QGBWCUVDXIDKQD-INIZCTEOSA-N	318.304	1.435	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)/C=C\c2cccc(O)c2)cc1	1329303141	JFSCLXIGXHZBQC-YHYXMXQVSA-N	312.325	1.875	50	20	DDGD	
Nc1cnnc(NNC(=O)/C=C\c2ccc(O)cc2)c1Cl	1320231992	GUQVLASZNRAESX-UTCJRWHESA-N	305.725	1.574	50	20	DDGD	
Cc1ccc(C)c2c1OCCC2=NNC(=O)C(=O)N1CCCC1	1322188139	RYJOUUUICQHEAM-UHFFFAOYSA-N	315.373	1.529	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1O)c1cnc(C2CC2)[nH]1	1324243970	UBHUERZPVZMLGP-UHFFFAOYSA-N	320.736	1.721	50	20	DDGD	
CCOc1ccc(C[C@@H](CNC(=O)CCl)C(=O)OC)cc1	1320466783	POIMJMJGWKEDDK-LBPRGKRZSA-N	313.781	1.772	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)NC2CC2)ccc1Br	1334936364	MGRDLHRHHVMSLE-UHFFFAOYSA-N	312.167	1.479	50	20	DDGD	
NCCCCNC(=O)NNC(=O)c1cccc2ccccc12	1331467509	ZHDVENVSTWABDP-UHFFFAOYSA-N	300.362	1.523	50	20	DDGD	
CCc1ncc(C(=O)NNC(=O)c2ccc(OC)cc2)s1	1337848670	QLNMEUBOHRMEIB-UHFFFAOYSA-N	305.359	1.789	50	20	DDGD	
Cn1nc(C2CC2)cc1CNC(=O)NNc1ncncc1F	1342470334	YIWOLYONJQYXTQ-UHFFFAOYSA-N	305.317	1.053	50	20	DDGD	
CN(C(=O)OC(C)(C)C)C(C)(C)C=NNC(=O)c1cccnn1	1262038046	VCURIGPWARYCIF-UHFFFAOYSA-N	321.381	1.838	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc(C(F)(F)F)n(C)n2)n1	1346129256	QVEZFLQYCFIZRZ-UHFFFAOYSA-N	314.271	1.603	50	20	DDGD	
CO[C@@H](C=NNC(=O)CCN1CCC(C)CC1)[C@H]1CCOC1	1261373441	FOPRNPSQOBUBKO-GJZGRUSLSA-N	311.426	1.262	50	20	DDGD	
O=C(NC[C@H]1CCCCCN1)NNC(=O)c1ccccc1F	1353515175	VGBSHUBHPNKMCI-LLVKDONJSA-N	308.357	1.302	50	20	DDGD	
O=C(O)C1(C(=O)NNc2ncncc2Cl)CCSCC1	1605935790	TUGAVCGBZDBWKN-UHFFFAOYSA-N	316.770	1.171	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cc(C(F)(F)F)n[nH]2)c1	1602449002	XWEIDTYRRTVQNH-UHFFFAOYSA-N	314.223	1.884	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)C(=O)O)C[C@@H](c2ccccc2)C1	1604676191	LEQJYXFNGXEOCU-DRZSPHRISA-N	319.361	1.374	50	20	DDGD	
Cn1ccnc1[C@H](NS(=O)(=O)CCl)c1ccc(F)cc1	111000547	PWXUHKNFFUSXAG-LLVKDONJSA-N	317.773	1.764	50	20	DDGD	
O=C(NN=Cc1cc(C(=O)O)c2n1CCCC2)c1cn[nH]c1	1608478360	XICFMBKGBCSDJQ-UHFFFAOYSA-N	301.306	1.010	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2ccc(C)c(C(=O)O)c2)c[nH]1	1606533712	XWBOHXWZHHLPIE-UHFFFAOYSA-N	317.301	1.565	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(CC(=O)O)c(F)c1	1604919231	QWSCUEAAARDHIS-QMMMGPOBSA-N	311.313	1.652	50	20	DDGD	
Cn1cnc(CCNC(=O)NNc2cccc(C(=O)O)c2F)c1	1600989180	YGDOXIGLFRVANY-UHFFFAOYSA-N	321.312	1.126	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)c(F)c1	1549903646	BLXHYDQZYGIVCA-ZFWWWQNUSA-N	305.353	1.447	50	20	DDGD	
Cc1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)nc(C)n1	1610445254	JOJULJCHICEASC-UHFFFAOYSA-N	317.257	1.919	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@@H]2CCCO[C@@H]2c2nccn2C)[C@@H](C)O1	1549313188	DNWYUWJNRPVBBY-BYNQJWBRSA-N	320.393	1.557	50	20	DDGD	
CO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(Cl)Cl)C2	1802392059	WXHPSIDIJYDUIE-QEYWKRMJSA-N	323.220	1.463	50	20	DDGD	
CCOc1cccc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)c1	1549319508	UYSZGNWUVZMSGJ-HOCLYGCPSA-N	317.389	1.399	50	20	DDGD	
C[C@@H](N)c1ccc(C(=O)NNc2ccnc(N(C)C)n2)cc1	1576166205	VVUPNCDNHNLXTA-SNVBAGLBSA-N	300.366	1.319	50	20	DDGD	
C=CCCn1cc(C(=O)NNc2ccccc2C(=O)O)nn1	1588817438	KPGHONPYCKJKCQ-UHFFFAOYSA-N	301.306	1.309	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)CN(C)C)C2	1841667286	BPRWOWQZCWFDSR-GFCCVEGCSA-N	315.845	1.159	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@H](C(=O)O)C2CC2)cc1C	1591176759	WNWQFUWGVMLOLI-CYBMUJFWSA-N	320.345	1.726	50	20	DDGD	
O=C(O)Cn1cccc(C(=O)NNc2ccc(Cl)cc2)c1=O	1595156613	MLILGHAWFDZLKQ-UHFFFAOYSA-N	321.720	1.343	50	20	DDGD	
COc1ccc(NNC(=O)Nc2ccccc2C(=O)O)nc1	1594105454	MIENQCSJFHKHSJ-UHFFFAOYSA-N	302.290	1.937	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1ccnn1C(C)C	1599376937	WTXCSFDCDJPTQZ-UHFFFAOYSA-N	318.333	1.928	50	20	DDGD	
Cc1csc([C@@H](C)C(=O)NNc2ncccc2C(=O)O)n1	1594435698	JQTISMKTGNKRCA-QMMMGPOBSA-N	306.347	1.792	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)Nc2cc(C(=O)O)ccn2)c1	1594435728	MBWQZDIQINFXGG-UHFFFAOYSA-N	320.330	1.616	50	20	DDGD	
CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)NNC(=O)C(=O)O	1591094589	MXIQJUDQDKLXHH-YPMHNXCESA-N	319.361	1.361	50	20	DDGD	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNc1ncccc1C(F)(F)F	1594227357	FLQBXGXDJFVFPA-KBUNVGBDSA-N	303.240	1.654	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1ccc(F)c(C(=O)O)c1	1596932437	YIVTYGCFUKCEQG-SECBINFHSA-N	314.313	1.409	50	20	DDGD	
CC(=NNC(=O)c1ccc(C(=O)O)cc1)c1cc(O)cc(O)c1	1776100128	RYMHHPZFILLCCL-UHFFFAOYSA-N	314.297	1.950	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NN=Cc1cccc(OCCC(=O)O)c1	1776101827	AHQMKXVHRXFRBD-KBPBESRZSA-N	320.345	1.415	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)O)CCC1=NNC(=O)c1cn2c(n1)CCCC2	1776105534	OSCIOOSFUKNZBZ-MNOVXSKESA-N	318.377	1.826	50	20	DDGD	
O=C(COC(=O)c1ccc(O)cc1)NNC(=O)c1cccs1	11077807	YNGWYKYCLGBZKI-UHFFFAOYSA-N	320.326	1.072	50	20	DDGD	
Cc1noc(C2CC2)c1C(=O)NNC(=O)CNc1ccccc1	161551643	DNZZJKHVTVOPKI-UHFFFAOYSA-N	314.345	1.734	50	20	DDGD	
O=C(/C=C/c1ccc(Cl)nc1)NNC(=O)NCc1ccco1	160387652	ASKOQCKBZPXVMJ-GQCTYLIASA-N	320.736	1.872	50	20	DDGD	
CCCCCC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccccn1	151893759	VXNSYIVLAMYJKM-UHFFFAOYSA-N	320.393	1.774	50	20	DDGD	
CCN1CCCC[C@H]1CNC(=O)NNc1ccc(OC)cn1	157248856	FQZFTZVCTVQLII-LBPRGKRZSA-N	307.398	1.591	50	20	DDGD	
CCn1cc(C(=O)N(C)NC(=O)OCc2ccccc2)cn1	862287295	LBUNSJXZPUPTNB-UHFFFAOYSA-N	302.334	1.816	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2cccc(C(F)(F)F)c2)CN1	103277104	FYABEJZUULRLEK-QMMMGPOBSA-N	301.268	1.675	50	20	DDGD	
O=C(COc1ccc(F)cc1F)NNC(=O)c1cccnc1	29055494	PPIXGOGFGLRBPM-UHFFFAOYSA-N	307.256	1.200	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2cccc(C#N)c2)c(C)n1	119452200	UCSJTCAAHWYKAV-UHFFFAOYSA-N	309.329	1.652	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@H]1CCC[C@H]1c1ccccc1	111900914	FQQZVKKNVUZXIX-KKUMJFAQSA-N	317.389	1.832	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2cccc(C)n2)c1	24887316	PUWCXOXEYUCWLW-UHFFFAOYSA-N	313.357	1.847	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cccc(Cl)n2)cc1	102890895	JEXWIWUQNHAQGV-UHFFFAOYSA-N	318.764	1.917	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C1[C@H]2CCC[C@@H]12	177603593	MRYIRHQFCBVGSC-YKLVJOERSA-N	306.337	1.787	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)CC[C@H]2CCOC2)c1	177610106	ZTGNMRQFZOXXPM-AWEZNQCLSA-N	320.389	1.646	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1cc(Br)c[nH]1	118501672	UFCKKNLZZXDFGG-UHFFFAOYSA-N	316.546	1.978	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NNc1nccn(C)c1=O	119231852	JUHHGVNJIQBBGU-UWVGGRQHSA-N	304.375	1.397	50	20	DDGD	
CCCN(CCC)C(=O)CCCC(=O)NNc1ncccn1	104839531	AXXINZLHNDXZGX-UHFFFAOYSA-N	307.398	1.739	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CCOc2cccc(C=O)c2)n1	109252170	HCDZZPAOITYSFU-UHFFFAOYSA-N	314.345	1.818	50	20	DDGD	
O=C(NNc1c(F)cccc1F)c1ccccc1-n1cnnn1	118515928	HAJPWLKVWIDCHH-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1C[C@@]12CCc1ccccc12	173363275	ZMSYVFAWAPFNTJ-CZUORRHYSA-N	301.415	1.572	50	20	DDGD	
C[C@@H]1CCc2nc(C=NNC(=O)c3ncccn3)sc2C1	1261374752	SNWWBYIYXFKRMC-SECBINFHSA-N	301.375	1.822	50	20	DDGD	
CC(C)NC(=O)Nc1ccc(C(=O)NNC(=O)NC2CC2)cc1	64429396	VKKDFNJCLJRQTJ-UHFFFAOYSA-N	319.365	1.323	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCc1ncc(C)s1	176590912	IZEOKJIBVHOGRK-UHFFFAOYSA-N	320.374	1.604	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C1=CCCCO1	173634313	XTQAQLCXTKMPSC-JTQLQIEISA-N	308.309	1.435	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C(=O)NNC(=O)NCC2CC2)c1C	65197516	NRPZONYPMUMCOP-UHFFFAOYSA-N	322.365	1.162	50	20	DDGD	
C[C@H](CNC(=O)NNc1ccc(C(C)(C)C)nn1)N(C)C1CC1	118576859	IEWUYVZAXWFTRM-LLVKDONJSA-N	320.441	1.883	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(C(C)C)n(C)n2)s1	174132644	JEMQODGAELFQDM-UHFFFAOYSA-N	306.391	1.988	50	20	DDGD	
CC(C)n1nccc1C(=O)NNC(=O)CCc1ccccc1O	123469030	KBLJDTPONASLIZ-UHFFFAOYSA-N	316.361	1.563	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)/C=C\c1ccco1	35004007	XQAITQSWOWXHGB-HJWRWDBZSA-N	316.313	1.528	50	20	DDGD	
O=C(COc1ccc(F)cc1Cl)NNc1ncc(F)cn1	123202936	SIRDTMFJOHQOHK-UHFFFAOYSA-N	314.679	1.930	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)[nH]1	122253522	PPKDIOSLMWDJJD-UHFFFAOYSA-N	323.356	1.892	50	20	DDGD	
O=C(CCn1cncn1)NNc1cc(C(F)(F)F)ccc1F	129017736	BZWOTGGRKRLSGK-UHFFFAOYSA-N	317.246	1.969	50	20	DDGD	
O=C(NNc1ccccc1F)C(=O)Nc1cnn(CC2CC2)c1	187591080	OAPJJALTLDQKEB-UHFFFAOYSA-N	317.324	1.514	50	20	DDGD	
COc1cc(C)c(S(=O)(=O)NNC(=O)C(C)(C)C)cc1C	121482712	MGEQXKHEFBAAKR-UHFFFAOYSA-N	314.407	1.668	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CCC(=O)N2)ccc1Br	120798118	MOJLENVYAHFUEE-SNVBAGLBSA-N	312.167	1.479	50	20	DDGD	
CCc1ccc([C@H](C)NC(=O)NNC(=O)[C@@H]2CCCO2)cc1	79219161	VTXKIQLJZZVLBP-FZMZJTMJSA-N	305.378	1.819	50	20	DDGD	
O=C(CCN1CCCC1=O)NNc1ccc(OC(F)F)cc1	122270587	SWCSCWDOZYNPOU-UHFFFAOYSA-N	313.304	1.744	50	20	DDGD	
CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)CBr	127163500	BHDWBYBELBTAKP-UHFFFAOYSA-N	323.168	1.709	50	20	DDGD	
COCCC[C@H](C)C(=O)NNC(=O)c1cccc(N(C)C)c1	182186052	HJOWPMJNWIAZPD-LBPRGKRZSA-N	307.394	1.576	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1ccc([S@@](C)=O)cc1	186161204	NFEBNQMJVKFSSH-JOCHJYFZSA-N	320.374	1.229	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2ccc(F)cc2C)n1	181516598	UCAFZJICPSJWIZ-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2cccn2C)nc1C	182728799	FXLYTQVXFOKYPU-UHFFFAOYSA-N	303.322	1.057	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Nc2ccc(F)nc2)c1	183242082	FXVBOUCSKOSRAT-UHFFFAOYSA-N	318.308	1.761	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc2ccccc2n1)C1CC1	135923274	PGJJVYNGSVFEFY-UHFFFAOYSA-N	312.373	1.480	50	20	DDGD	
C[C@@H](O)CC(C)(C)CNC(=O)NNc1nc2ccccn2n1	189268935	KHJDVXQBAMKZCL-SNVBAGLBSA-N	306.370	1.153	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2ccncc2)cc1[N+](=O)[O-]	186385670	JZOGGWZIXZWFAA-UHFFFAOYSA-N	315.289	1.765	50	20	DDGD	
Cc1ccn(-c2cccc(C(=O)NNC(=O)c3cccnc3)c2)n1	139572778	SGOLHYLGJBJXGO-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
CCN(CCC(=O)OC)C(=O)/C(C#N)=C\c1ccc(O)cc1	188240729	GNONHSVTMHRITA-RAXLEYEMSA-N	302.330	1.711	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](C)Cc1ccccc1F	131782136	ICUNUHPBHGOBRL-SNVBAGLBSA-N	304.325	1.946	50	20	DDGD	
Cc1cc(C)c(N2C[C@@H](C(=O)NN(C)C(N)=O)CC2=O)c(C)c1	182657963	UHDVXGQRTFWSEC-LBPRGKRZSA-N	318.377	1.006	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@H]1CC1(Cl)Cl	132639460	AMCMSBOVSRFTFC-SNVBAGLBSA-N	301.173	1.960	50	20	DDGD	
COc1cccc(C)c1NC(=O)C(=O)NNc1ccccn1	193778982	ZTJKTESECGNUNU-UHFFFAOYSA-N	300.318	1.480	50	20	DDGD	
Cc1c(Cl)cccc1OCC(=O)NNC(=O)c1ccncc1	134470484	ONBMESSKXHGOHW-UHFFFAOYSA-N	319.748	1.883	50	20	DDGD	
Cc1cccc(C)c1NCC(=O)NNc1nc2ccccn2n1	191911213	WPUYWPOZCVEZLZ-UHFFFAOYSA-N	310.361	1.901	50	20	DDGD	
COc1ccc(F)cc1[C@@H](C)NC(=O)NNC(=O)c1ccc[nH]1	194181120	LVOTVCLBIBTFAX-SECBINFHSA-N	320.324	1.868	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H](NC(=O)c1cccs1)C(C)C	45574464	NQDGKUXFIDPIML-JTQLQIEISA-N	313.379	1.280	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H](C)CCOc1ccccc1	81050808	PJXZCVQEVOLOSX-LBPRGKRZSA-N	307.419	1.773	50	20	DDGD	
COCCCOc1cccc(/C=C(\C#N)S(=O)(=O)N(C)C)c1	195321353	UQHLWUFXGIVDBV-RVDMUPIBSA-N	324.402	1.858	50	20	DDGD	
Cn1ncnc1NC(=O)NNc1ccccc1C(F)(F)F	91182018	ZFKZLBQHJGJZDI-UHFFFAOYSA-N	300.244	1.983	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)n1	248582017	FLUXCHPDAFFBGC-COPLHBTASA-N	321.425	1.655	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1C1CC1)[C@@H]1COc2ccccc2O1	246621936	XXQSYEGURAXDBE-WDMOLILDSA-N	302.330	1.020	50	20	DDGD	
COC(=O)[C@@H]1CN(/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)CCO1	255631959	WPRCHNXUEKBJDS-XMRSSTEGSA-N	317.301	1.333	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H](C)CC(C)(C)OC	266828695	YOLAYGMVPCCIKS-NSHDSACASA-N	323.393	1.843	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2CCOC3(CCCC3)C2)n1	269353609	SBVGGNLUCMHNJC-LLVKDONJSA-N	321.381	1.603	50	20	DDGD	
CCC[C@@H]1C[C@H]1NC(=O)NNC(=O)COc1ccc(C)cc1	268015021	KKWZRTRTWVOGSD-TZMCWYRMSA-N	305.378	1.893	50	20	DDGD	
C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)[C@@H]1CCCCO1	269366534	WCVAXHIIPRECIS-FZMZJTMJSA-N	317.345	1.042	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNC(=O)C(C)(C)c1ccccc1	268224870	SFJPVGHVEDPGNJ-NSHDSACASA-N	306.362	1.311	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2cnn(C)c2)c(C)c1	265369381	ZCYONYQHZCSXKY-UHFFFAOYSA-N	318.402	1.590	50	20	DDGD	
NNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl	270195501	DMRAJXLXQJSOBI-JTQLQIEISA-N	302.161	1.588	50	20	DDGD	
COC(=O)NNC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1	360022127	XDSUACXBOBHURQ-UHFFFAOYSA-N	315.370	1.411	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@]1(C)CCCOC1	272660100	HQDSGWJHLNYNIG-QGZVFWFLSA-N	320.389	1.592	50	20	DDGD	
CC[C@@H](C)[C@H](NC(=O)NNC(=O)c1cccn1C)C(F)(F)F	278687533	PNCYABKSKZWABN-SCZZXKLOSA-N	320.315	1.946	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)CC(C)(F)F)cc1OC	277956362	WKJJXLDIQJHMEI-UHFFFAOYSA-N	316.304	1.900	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)CC2CCN(C)CC2)n1	279724747	VAYAKEZYUMFVKB-UHFFFAOYSA-N	319.409	1.018	50	20	DDGD	
C[C@@H]1C(=O)Nc2cc(C(=O)N3CC=C(C#N)CC3)ccc2N1C	272642023	DRBJQOVXNHHPEG-LLVKDONJSA-N	310.357	1.759	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCO1	271377048	QYTSVDOZAOCBDY-KOLCDFICSA-N	322.321	1.106	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNC(=O)Cc2ccncc2)C1(C)C	273678738	KAKVKEXDNVLQJJ-KGLIPLIRSA-N	317.389	1.413	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C2=C(C)OCCC2)cc1	270090440	AZSJNYNXNYZSDA-UHFFFAOYSA-N	319.361	1.339	50	20	DDGD	
Cc1c(CNC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)cnn1C	270399734	VTRQRDRVUCQHTR-LHHJGKSTSA-N	322.372	1.471	50	20	DDGD	
CC[C@@H](C)NC(=O)CCNC(=O)NNc1ccc(OC)cn1	276039690	XNEWAVJYABHDIF-SNVBAGLBSA-N	309.370	1.021	50	20	DDGD	
O=C(C[C@@H]1COC(=O)C1)NNC(=O)Nc1ccc(Cl)cc1	283769901	OXTUFRRHGDIQQF-QMMMGPOBSA-N	311.725	1.446	50	20	DDGD	
CSSCCNC(=O)C[C@@H]1Oc2ccccc2NC1=O	284089557	MZNMQPRMOYCYEU-NSHDSACASA-N	312.416	1.904	50	20	DDGD	
C=CC(C)(C)C(=O)NNc1c(OC)cccc1S(C)(=O)=O	295625769	ALYCSQPVQONLKT-UHFFFAOYSA-N	312.391	1.754	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccccc1NC	299084576	VBHNDPGQPSYUQO-UHFFFAOYSA-N	309.366	1.279	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NNc1ncccn1	294273657	DLEWPUOUIGKALF-NSHDSACASA-N	323.397	1.955	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@H]1CCc2ccccc2OC1	801016256	TUWWZGUTZXNKEZ-LBPRGKRZSA-N	305.378	1.757	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)COc1ccc(F)cc1	299302250	OWJGOMMKEYGDFA-NSHDSACASA-N	310.325	1.333	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)c1cccnc1F	806343501	FSADIIUUJYTPSK-UHFFFAOYSA-N	313.292	1.032	50	20	DDGD	
COC(=O)c1c(C)[nH]c(C(=O)NNc2cccc(F)n2)c1C	804770645	LWWDJVVZXNHKNI-UHFFFAOYSA-N	306.297	1.709	50	20	DDGD	
CSc1ccc(NC(=O)NNC(=O)[C@H]2CCCCO2)nc1	296493430	BETRKXRTPFBBTL-SNVBAGLBSA-N	310.379	1.525	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2ccc([C@@H](C)O)cc2)n1	299532355	OGFSCPFZLZPNHS-SNVBAGLBSA-N	317.349	1.365	50	20	DDGD	
CCn1ncnc1COC(=O)/C(C#N)=C\c1cccc(OC)c1	801212512	QCVKFYLXWXNRAN-QPEQYQDCSA-N	312.329	1.957	50	20	DDGD	
Cn1ncc(CCCNC(=O)/C(C#N)=C\c2ccc(F)cc2)n1	293802722	DARLCMJVAVRGAB-LCYFTJDESA-N	313.336	1.610	50	20	DDGD	
COCCOc1ccccc1CNC(=O)NNc1ccncn1	296438936	UMWBUULKBKRKNV-UHFFFAOYSA-N	317.349	1.328	50	20	DDGD	
CC[C@@H]1C(=O)N(CC)CCN1C(=O)NCCSSC	807232663	HZCCMHYKAHXIPQ-SNVBAGLBSA-N	305.469	1.650	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CC(F)(F)F)cc1	298879905	YJEAXWWLMARJAG-UHFFFAOYSA-N	303.240	1.033	50	20	DDGD	
CC[C@@H](C)[C@@H](C)NC(=O)NNC(=O)COc1ccccc1OC	299160526	KECZSAZQHYFIEQ-VXGBXAGGSA-N	323.393	1.839	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@H](C)c2ccsc2)n1	802388872	WAYORGPDXNVOJW-LLVKDONJSA-N	321.406	1.653	50	20	DDGD	
CN(NC(=O)c1ccc2nnc(S)n2c1)C(=O)OC(C)(C)C	297213752	LLJIFMQRUPATQG-UHFFFAOYSA-N	323.378	1.530	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)N=c1cc[nH]cc1)c1cccc(F)c1	802025649	LMXVBJJZDGJLKS-LLVKDONJSA-N	316.336	1.989	50	20	DDGD	
C#CCOc1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)cc1	295341830	IALHTGPODPUQMH-AWEZNQCLSA-N	302.330	1.029	50	20	DDGD	
CC(=O)c1cc(NC(=O)NNC(=O)c2cccnc2)ccc1F	806572859	ARHQPJIUCSFLLB-UHFFFAOYSA-N	316.292	1.890	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cc1	801930002	ZSVUTULHYQYHFW-UHFFFAOYSA-N	315.264	1.945	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NNC(=O)CC2CC2)C1	819122890	KVSMHTWTEJDUIB-YPMHNXCESA-N	309.410	1.219	50	20	DDGD	
CC(=NNC(=O)Cc1ccccn1)c1csc(C(=O)O)c1	814838246	GFZVUWLYWWILLJ-UHFFFAOYSA-N	303.343	1.924	50	20	DDGD	
CCCn1c(=O)n(CCC(=O)NN(C)C2CC2)c2ccccc21	819643948	VTYVEHHOVUOIJP-UHFFFAOYSA-N	316.405	1.729	50	20	DDGD	
COc1ccncc1CNC(=O)NNc1ccc(Cl)nn1	814417902	SQEOSVAJYLYAPG-UHFFFAOYSA-N	308.729	1.360	50	20	DDGD	
O=C(NN=C1CCCC[C@@H]1CCCO)C(=O)Nc1ccccn1	814869162	DJWFFOHSDYVGGD-GFCCVEGCSA-N	318.377	1.455	50	20	DDGD	
C[C@@H]1C(=NNC(=O)N2CCOCC2)CC[C@@H](C(=O)O)C1(C)C	814820869	DPVNYNOKMDXLHN-MNOVXSKESA-N	311.382	1.541	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cnc2c(c1)c(C)nn2C	818514438	PGZNCLWRKTXTAK-UHFFFAOYSA-N	323.356	1.660	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2ccccc2Cl)nc1	815558146	SASAJURNMXFOFN-UHFFFAOYSA-N	315.720	1.688	50	20	DDGD	
Cc1ccc([C@](O)(CC(=O)NN(C)C2CC2)C(F)(F)F)o1	819649062	CXXWGFCJDGWHDW-GFCCVEGCSA-N	306.284	1.853	50	20	DDGD	
CC(=O)NNC(=O)c1nn(-c2c(C)cccc2F)c2c1CCC2	817509399	NRUSLKUMZPCXIS-UHFFFAOYSA-N	316.336	1.589	50	20	DDGD	
CCOC(=O)[C@H](CC(=O)NNc1cccc(Cl)c1)C(C)=O	816844812	PWIZGJNGGOFUIO-GFCCVEGCSA-N	312.753	1.942	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H]1CCS(=O)(=O)C1	812766190	BJBKBGITTQCQNP-GFCCVEGCSA-N	310.419	1.996	50	20	DDGD	
Cc1cc(NC(=O)NNc2cc(Cl)nc(N)n2)nn1C(C)C	817358804	QGHXWMRGUCQYMJ-UHFFFAOYSA-N	324.776	1.947	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2ccc(C(=O)O)cc2)n1	725856204	MSMMSCFPWBCXBB-UHFFFAOYSA-N	303.343	1.843	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H](C)Cc1cnc2ccccc2n1	815115175	QTUHVZDKARANEP-JTQLQIEISA-N	301.350	1.159	50	20	DDGD	
COC(=O)Cc1occc1C(=O)NNc1nccnc1C(C)C	811462004	JJNLCVUBGIYPTN-UHFFFAOYSA-N	318.333	1.665	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=C1CC(C)(c2ccccc2)C1	729639043	RZMQFDSOXBHMFV-VPHXOMNUSA-N	323.418	1.148	50	20	DDGD	
COC[C@@H](C)CNC(=O)NNC(=O)Cc1ccc(Cl)cc1	728958282	AXLBFZXVJWMQPK-JTQLQIEISA-N	313.785	1.495	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)COc2ccc(C)cc2)cn1	728856262	WFWBFVSOQLNYQE-UHFFFAOYSA-N	309.325	1.211	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCC[C@H](N3CCCC3)C2)cn1	823179949	BKGOIBTUYYFSFX-LRQZKABGSA-N	313.405	1.414	50	20	DDGD	
CN(C[C@@](C)(O)c1ccccc1)C(=O)NNC(=O)C(C)(C)C	825965229	ULSYPHWNWQRFPT-MRXNPFEDSA-N	307.394	1.613	50	20	DDGD	
C[C@H](C=NNC(=O)Cc1cccnc1)CNC(=O)OC(C)(C)C	496790464	KHTVTANWIGBIHU-LBPRGKRZSA-N	320.393	1.887	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCC1(c2ccccc2)CC1	825566085	DYADULGSSLQCQR-OCCSQVGLSA-N	317.389	1.474	50	20	DDGD	
CCCN(NC(=O)[C@H]1CC(=O)N(CC)C1)C(=O)OC(C)(C)C	495827705	QHOLJGGIPBPUMT-NSHDSACASA-N	313.398	1.533	50	20	DDGD	
COCCn1c(C)cc(C=NNC(=O)c2cccn2C)c1C	725846659	KJGAJFQFMVNQMU-UHFFFAOYSA-N	302.378	1.854	50	20	DDGD	
Cn1c(NNC(=O)CC2CC(F)(F)C2)nc2ccccc2c1=O	825822297	HQTSSCPFWQPDMR-UHFFFAOYSA-N	322.315	1.812	50	20	DDGD	
COC(=O)N1CCC(CNC(=O)NNc2ncccc2C)CC1	495837728	QHQJRPIVSPVSIH-UHFFFAOYSA-N	321.381	1.495	50	20	DDGD	
Cc1cc(=NC(=O)NNc2cccc(-c3nn[nH]n3)c2)c(C)c[nH]1	826270172	OEEZRSHIUDQRQU-UHFFFAOYSA-N	324.348	1.449	50	20	DDGD	
O=C(CCc1ccccc1O)NN=Cc1ccc([N+](=O)[O-])o1	729934975	HBPWTHFVCAGLTI-UHFFFAOYSA-N	303.274	1.976	50	20	DDGD	
COCCC[C@H](C)C(=O)NNc1cccc(-c2nn[nH]n2)c1	826155169	IXPWRWZFSISTHB-JTQLQIEISA-N	304.354	1.373	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@@H]1CCCN(O)C1=O	820471534	YTSFBRDYEVCCKY-SFYZADRCSA-N	307.188	1.292	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NC[C@H](CO)[C@H]1CCOC1	491012232	QOBSOQKFIIYDKF-VOXMINEMSA-N	316.357	1.060	50	20	DDGD	
CCn1cc(CNC(=O)NNc2cc(F)c(F)c(F)c2)nn1	821731072	DNJJAHRXZQIMRE-UHFFFAOYSA-N	314.271	1.542	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cc2ncccc2o1	824436680	FHYYVGNLENCVLN-UHFFFAOYSA-N	304.375	1.737	50	20	DDGD	
O=C(NC[C@H]1CCC[C@H]1C1CC1)c1ccc(B(O)O)c(F)c1	585001802	DOYHWVWTDBKYKC-OLZOCXBDSA-N	305.158	1.062	50	20	DDGD	
CN(C)C(=O)NN=C[C@@H](CC(F)F)NC(=O)OC(C)(C)C	497104160	AZMJGWKNQOGYSK-MRVPVSSYSA-N	308.329	1.792	50	20	DDGD	
Nc1nc(Cl)c(C=NNC(=O)C2CCC2)c(N2CCCC2)n1	731934349	WXXCBCQVYWDMDQ-UHFFFAOYSA-N	322.800	1.563	50	20	DDGD	
O=C(O)CCCN1CCC(=NNC(=O)NCC(F)(F)F)CC1	739672377	DFNIZYXTEMFCGY-UHFFFAOYSA-N	324.303	1.165	50	20	DDGD	
CCSc1ccccc1C(=O)NNC(=O)c1cnn(C)c1	735443886	IGXLLEBHCKOCOY-UHFFFAOYSA-N	304.375	1.607	50	20	DDGD	
CCC[C@@H]1CCC[C@@H]1C(=O)NNc1nc(O)c2cnn(C)c2n1	823326074	RYNKKVGPQQTTAQ-ZJUUUORDSA-N	318.381	1.728	50	20	DDGD	
CCCCCNC(=O)/C(C#N)=C\c1ccc(-c2nn[nH]n2)o1	821055579	DRJYRFLUEPTPNN-NTMALXAHSA-N	300.322	1.673	50	20	DDGD	
O=C(NNc1cccc(Cl)c1)c1ccc(-c2nn[nH]n2)[nH]1	826449088	ATGMBVZHSHNUEH-UHFFFAOYSA-N	303.713	1.605	50	20	DDGD	
COC(=O)NNC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1	495407873	NSVKMXOGXFGBON-UHFFFAOYSA-N	321.314	1.540	50	20	DDGD	
Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(B(O)O)cc2)s1	584945380	ZFMJZKLLPLBXPZ-JTQLQIEISA-N	318.207	1.273	50	20	DDGD	
O=C(CCc1nc(O)c2ccccc2n1)NNc1cnccn1	734244537	MBWJUMWLBLPMRX-UHFFFAOYSA-N	310.317	1.201	50	20	DDGD	
Cn1ncc2c1CCC[C@H]2NC(=O)NNc1ccc(F)cn1	731359988	SKMZADRFARACMN-LLVKDONJSA-N	304.329	1.658	50	20	DDGD	
CCN(C)c1ccccc1NCc1ccc(B(O)O)cc1F	585012223	PZKGLWGFIDBVPX-UHFFFAOYSA-N	302.158	1.574	50	20	DDGD	
CC1(C)C[C@H]1CNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	732892803	IUXUJSPDMOIZRY-JTQLQIEISA-N	306.322	1.585	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@]2(C)CCCCO2)c(OC)c1	837400567	TWPZOTPJJFFEDN-INIZCTEOSA-N	322.361	1.424	50	20	DDGD	
CN(CCCCNC(=O)NNc1nc2ccccn2n1)C1CC1	838731496	AECDRXQSHSNPFS-UHFFFAOYSA-N	317.397	1.230	50	20	DDGD	
CC1=C(C)C(=O)N(CCC(=O)NNc2ccc(F)cc2F)C1=O	901164225	BUEWEGURRMLASY-UHFFFAOYSA-N	323.299	1.503	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)N[C@@H]1CSc2ccccc21	838480886	FVLKEUXGKDBTBE-VXGBXAGGSA-N	321.402	1.733	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)COc2ccccc2O)on1	733775601	ISBSMZBPEPISKQ-UHFFFAOYSA-N	319.317	1.344	50	20	DDGD	
CCn1ccnc1[C@H](C)NC(=O)NNC(=O)c1ccccc1C	836193867	XRTRYGNDKCNWFA-LBPRGKRZSA-N	315.377	1.917	50	20	DDGD	
CC1(C)C[C@H](NC(=O)NNc2cccc(C(=O)O)c2)CCO1	833556436	XCMSVWOMGUJZTH-GFCCVEGCSA-N	307.350	1.969	50	20	DDGD	
C[C@]1(C(=O)NCCCC(=O)NC2CC2)C[C@@H]1Br	906230470	ZEUMUQPDNZQTBG-CABZTGNLSA-N	303.200	1.335	50	20	DDGD	
C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cc(B(O)O)ccc1F	584989778	JDUQLJPLVURSBI-VXGBXAGGSA-N	321.201	1.792	50	20	DDGD	
CCOc1cccc(CN(CCO)S(=O)(=O)CCl)c1	832723555	YEKLPFQEXJQANJ-UHFFFAOYSA-N	307.799	1.406	50	20	DDGD	
C=CC(=O)N(CC)CC(=O)NNc1ccc(C(F)(F)F)cn1	907478518	YXHHIVNGVVUVAS-UHFFFAOYSA-N	316.283	1.578	50	20	DDGD	
O=C(CCc1nnc(-c2ccccc2)o1)NNc1cccnn1	736697917	ODJMSHFXHYNQER-UHFFFAOYSA-N	310.317	1.603	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cc2c(cn1)CCC2	831840409	NWYHGAFEELTOSL-JOYOIKCWSA-N	304.350	1.148	50	20	DDGD	
CO[C@H](CNCc1ccccc1B(O)O)c1ccc(Cl)cc1	585027683	XRYBUVKYSKNNQI-MRXNPFEDSA-N	319.597	1.497	50	20	DDGD	
CC(C)(C)Oc1ccc(CNCc2cccc(B(O)O)c2)cn1	585033674	IYMVTLJMOZVGDX-UHFFFAOYSA-N	314.194	1.229	50	20	DDGD	
CS(=O)(=O)CCCC(=O)NNc1nccc2sccc12	734249811	HQZXYPQMUIFJCP-UHFFFAOYSA-N	313.404	1.564	50	20	DDGD	
Cc1ccc(N2CCC[C@H](NCc3ccccc3B(O)O)C2)cc1	585027701	YBFRQCJYJXKMLF-KRWDZBQOSA-N	324.233	1.433	50	20	DDGD	
O=C(NNC(=O)[C@H]1Cc2ccccc2S1)[C@@H]1CCCCO1	833255973	JTWFDAFNVNIIPM-WCQYABFASA-N	306.387	1.420	50	20	DDGD	
O=C(NC[C@@H]1CCCC[C@@H]1C1CC1)c1ccc(B(O)O)cc1	584997717	IEANFVCTRRJCOC-GOEBONIOSA-N	301.195	1.313	50	20	DDGD	
CC(C)Oc1ccccc1NCc1ccc(B(O)O)cc1F	585012102	MLWKDXZNMDDSCW-UHFFFAOYSA-N	303.142	1.905	50	20	DDGD	
CC(C)O[C@H]1C[C@H](NCC(=O)NNC(=O)C(C)(C)C)C1(C)C	831359220	SRYYTRGREIYSHS-RYUDHWBXSA-N	313.442	1.362	50	20	DDGD	
O=C(NCCc1cccc(F)c1F)NNC(=O)c1ccc[nH]1	732893237	BOUZWYACTXKGTH-UHFFFAOYSA-N	308.288	1.480	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)CCOc2ccccc2)COC1	836263006	NUDBSAWJEOSTTK-UHFFFAOYSA-N	321.377	1.213	50	20	DDGD	
Cc1ccc(Nc2cccc(C(=O)NNC(=O)C3CC3)c2)nn1	736066690	QBRMDHOZPXBKJB-UHFFFAOYSA-N	311.345	1.700	50	20	DDGD	
CCc1cc(NNC(=O)[C@@H](CC)OC)nc(-c2ccccn2)n1	738531300	XKSKWCWXAIBSOH-CYBMUJFWSA-N	315.377	1.969	50	20	DDGD	
O=C(CCc1nc2ccccc2[nH]1)NNC(=O)CC(F)(F)F	918365873	OFNZHQCKRBOQGY-UHFFFAOYSA-N	314.267	1.595	50	20	DDGD	
COc1ccc(Br)c(NNC(=O)C2CC(=O)C2)c1	839908621	JLVUFYIKTZZJHA-UHFFFAOYSA-N	313.151	1.880	50	20	DDGD	
Cc1cc(C)n([C@H](C)CC(=O)NNC(=O)[C@H]2CCCCO2)n1	833254971	APVPRAREAHKJRF-CHWSQXEVSA-N	308.382	1.168	50	20	DDGD	
COc1ccc(NNC(=O)Cc2ccc(-n3cnnn3)cc2)cc1	746883381	PHIPDZMZIHWOSB-UHFFFAOYSA-N	324.344	1.357	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)c1ccco1	741515103	SAFQERXABNWVGE-HZMBPMFUSA-N	316.313	1.371	50	20	DDGD	
CC(C)C(=O)N1CCCC[C@H]1C(=O)NNC(=O)CC(F)(F)F	918367058	KSJVPVQDAJDSIK-VIFPVBQESA-N	323.315	1.123	50	20	DDGD	
CCOc1ccc(OCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	843644788	FYWKGSKGZHPWLW-FZMZJTMJSA-N	322.361	1.037	50	20	DDGD	
Cc1noc([C@H](C)N(C)C(=O)NNC(=O)c2ccccc2C)n1	848641364	CQRHKQBRCRWDLY-JTQLQIEISA-N	317.349	1.734	50	20	DDGD	
O=C(CCN1CCCCCC1)NN=Cc1ccc(C(=O)O)[nH]1	749809272	DHDMWNZWWYZWGE-UHFFFAOYSA-N	306.366	1.429	50	20	DDGD	
CC(C)CO[C@@H](C)C(=O)NNc1cc(O)nc2ncccc12	913994465	IFADPJLLFFXXSY-JTQLQIEISA-N	304.350	1.840	50	20	DDGD	
COc1cc(OC)c(C=NNC(=O)[C@H]2CCO[C@H]2C)cc1F	844601455	NKHCKBUZIHTHNE-ONGXEEELSA-N	310.325	1.718	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1nc(SC)ncc1Cl	914882095	UWWZRAPKJAHUKE-UHFFFAOYSA-N	317.827	1.147	50	20	DDGD	
O=C(NN=Cc1cc2cc(F)ccc2o1)[C@H]1CCS(=O)(=O)C1	741760208	VHJXKRZKGMDGNX-VIFPVBQESA-N	324.333	1.457	50	20	DDGD	
O=C(N[C@H]1CCCNC1)[C@@]12CC[C@@H](C[C@@H]1Br)C2	846663442	JFIACWKSWHMAGL-MRBYEJRBSA-N	301.228	1.808	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(N(C)C)c(F)c1	843645183	LWSMDZSQARZXEB-ONGXEEELSA-N	309.341	1.078	50	20	DDGD	
CC(C)(N)CNC(=O)NNc1ccc(Br)c(F)c1	841947089	CNACDTVFPYEPCY-UHFFFAOYSA-N	319.178	1.952	50	20	DDGD	
Cc1ccc(C=NNC(=O)c2csc(N3CCOCC3)n2)o1	916338964	XYAHUEAUDOVXKW-UHFFFAOYSA-N	320.374	1.645	50	20	DDGD	
C=C(C)CCNC(=O)NNc1ncc(Br)cn1	847379390	LSJLFCTVIDXLEZ-UHFFFAOYSA-N	300.160	1.831	50	20	DDGD	
CNc1ccc(Cl)c(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	844147985	YUIOJLLRVOTUTR-WPRPVWTQSA-N	311.769	1.568	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)COCC2CC2)cc1C	916107704	INRMSPIKVQWIKG-UHFFFAOYSA-N	306.362	1.256	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2cn3ccccc3n2)n1	746553762	REEMJRUCJAFVTJ-UHFFFAOYSA-N	309.329	1.041	50	20	DDGD	
CCC(CC)n1nc(C)cc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843661958	OWIHWYSPAZEYHP-YPMHNXCESA-N	322.409	1.739	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCO[C@@H]2C(F)(F)F)cn1	912082814	ZLQBBRWTMBLPAU-KSHIFHCESA-N	300.240	1.074	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ncsc1C(F)(F)F	843656021	LSANLVYSSYAPRV-WDSKDSINSA-N	323.296	1.348	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)C1(F)CCCC1	848322335	XPWHZFNFCSCWRP-UHFFFAOYSA-N	303.135	1.965	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=Cc1ccc2ccccc2c1	743446404	WMLKKQLGYGVMDH-UHFFFAOYSA-N	322.324	1.734	50	20	DDGD	
COc1cc(OC)c(C=NNC(=O)N2CCN(C)CC2)cc1F	844594603	YPTQEGVGIARXAM-UHFFFAOYSA-N	324.356	1.134	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H]2CC[C@H](CN)C2)cc1	842009537	DSLGMMQHJFVGNL-JSGCOSHPSA-N	304.394	1.320	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@@H]1CCN(c2ccc(F)cc2)C1=O	840726846	BDZDPRWNAQVNHU-IWMPZKFUSA-N	317.320	1.491	50	20	DDGD	
CCOC(=O)C[C@@H](N/C=C(\C#N)C(=O)OCC)C(F)(F)F	849173885	AEABVIFJSVBPAU-FCZSHJHJSA-N	308.256	1.431	50	20	DDGD	
COc1cc(C=NNC(=O)NCC2CC2)ccc1OCC#N	920828923	JAIYUHGPSYXKLG-UHFFFAOYSA-N	302.334	1.641	50	20	DDGD	
CCn1ncc(C=NNC(=O)CCc2ccc(OC)cc2)n1	841621272	ZDSGNNKIFQJVNT-UHFFFAOYSA-N	301.350	1.390	50	20	DDGD	
CC1(C)Cc2cccc(C(=O)NNC(=O)[C@H]3CCCCO3)c2O1	847056828	BFFAHLCJVHGWAF-CYBMUJFWSA-N	318.373	1.730	50	20	DDGD	
Cn1nnc2c1CC[C@@H](NC(=O)NNc1cccc(Cl)n1)C2	848670213	OVGVBPMNAIIKLA-MRVPVSSYSA-N	321.772	1.047	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)Nc2ccc(N(C)C)cc2)on1	846094458	OYFQITXKZZPIEX-UHFFFAOYSA-N	317.349	1.444	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)COc1ccccc1F)n1ccnc1	920436107	VHKVGFOZIDPMIP-LLVKDONJSA-N	320.324	1.200	50	20	DDGD	
C[C@]1(CNC(=O)c2ccc(C(N)=O)o2)C[C@H]1Br	857395405	XOVGVFTXKJMXPJ-LDYMZIIASA-N	301.140	1.282	50	20	DDGD	
O=C(NN=Cc1ccnn1CC1CC1)c1cccc([N+](=O)[O-])c1	853255150	UQCUGAPRGUJLHE-UHFFFAOYSA-N	313.317	1.965	50	20	DDGD	
C[C@]1(CNC(=O)C[C@@H]2CCC(=O)NC2)C[C@@H]1Br	857385829	MHPKTBRLDNLOEK-HOTUBEGUSA-N	303.200	1.192	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cccc(F)c1O	929425885	CQKKSERIKFJJLV-UHFFFAOYSA-N	315.370	1.019	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CC2(C)C)cc1	751792870	PXOQRDDPQKTDFR-GFCCVEGCSA-N	304.346	1.345	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc([N+](=O)[O-])s1)C1CC1	751621286	RYOJEKHCYHHIGA-LURJTMIESA-N	314.392	1.564	50	20	DDGD	
C[C@H](Cn1ccnc1)NC(=O)NC[C@@]1(C)C[C@@H]1Br	856719360	QLKIAAUDEMIUON-JFGNBEQYSA-N	315.215	1.744	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2ccc(C)c(C(=O)OC)c2)n1	857263940	HLZVHHRRFKSBHT-UHFFFAOYSA-N	317.349	1.458	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc(-n2cnnc2)cc1	750663289	LVKBDPXTFNZKPH-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1O	854206024	ATHSREGWRQUWSN-UHFFFAOYSA-N	316.361	1.498	50	20	DDGD	
CC1(CNC(=O)NNC(=O)c2ccc3c(c2)OCCO3)CC1	752020069	OXLORUCCFJWZCT-UHFFFAOYSA-N	305.334	1.202	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCC1(C)CC1	753017926	CFFAOHMEYZLXBF-JTQLQIEISA-N	309.341	1.724	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCNC(C)(C)C)cc1	929289995	UKVRZVLLDXRZGA-UHFFFAOYSA-N	307.394	1.299	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2cccnc2)c2[nH]ncc12	756530527	ZAZRPJCSBDZKTR-UHFFFAOYSA-N	310.317	1.733	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2C[C@]23CCOC3)ccc1C	857267252	QNHGUTDQYOJBJY-BBRMVZONSA-N	304.346	1.651	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCOCCF)cc(C#N)n1C	856471910	DKICZPYWTRGOEL-NTUHNPAUSA-N	304.325	1.214	50	20	DDGD	
C=CCN(CC(=O)NNC(=O)c1ccc(F)cc1)[C@H](C)COC	852356597	JAMOSSPMJUIGMR-GFCCVEGCSA-N	323.368	1.110	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cccc(Cl)c1OC	756206296	YXBUKUQWHKNPBU-UHFFFAOYSA-N	301.730	1.538	50	20	DDGD	
C[C@H](OC(=O)/C(C#N)=C/c1ccc(O)cc1)C(=O)NC1CC1	750665520	BUQSSLPPWAHJTD-MJWAUXSNSA-N	300.314	1.509	50	20	DDGD	
CCn1cc(C(=O)NNc2ccccc2OC(F)(F)F)nn1	935486105	JUDOKFYDAGZOSP-UHFFFAOYSA-N	315.255	1.954	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)N[C@H]1Cc2cccc(O)c2C1	759478681	BYDQIOSUEBMTDB-NSHDSACASA-N	324.344	1.228	50	20	DDGD	
Cc1nc(C(=O)NNC(=S)N[C@@H](C)C2CC2)c2ccccn12	855100555	FBRWEQIPAVYZJS-VIFPVBQESA-N	317.418	1.550	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCOc2cccc(F)c2)o1	752528559	YDTZMTSMTLSJOS-UHFFFAOYSA-N	306.293	1.957	50	20	DDGD	
O=C(Cn1cncn1)NNc1cc(C(F)(F)F)ccc1F	754153277	BHNQCVUDWGDLCL-UHFFFAOYSA-N	303.219	1.579	50	20	DDGD	
O=C(NNc1ccncn1)[C@H]1CCN(C(=O)c2ccccc2)C1	861873016	BCXVWIJSUVKNRX-ZDUSSCGKSA-N	311.345	1.082	50	20	DDGD	
COc1cc(C(=O)NNC(=O)Cc2cc(C)[nH]n2)ccc1C	869012746	CUXPVCBNHPAZDM-UHFFFAOYSA-N	302.334	1.039	50	20	DDGD	
COc1cc(COc2ccc(B(O)O)cc2)c([N+](=O)[O-])cc1F	864048316	QEBCUMWBXVPSOB-UHFFFAOYSA-N	321.069	1.001	50	20	DDGD	
CO[C@@]1(CNC(=O)NNc2ccc(Cl)nc2)CCOC1	764810988	USNDPAJQUUCMKJ-GFCCVEGCSA-N	300.746	1.167	50	20	DDGD	
O=C1NC[C@H](COC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)O1	869459601	GWDNAEOKDMXZOY-KIKITERTSA-N	318.167	1.592	50	20	DDGD	
COc1ccc(NNC(=O)CNC(=O)C(C)(C)C)c([N+](=O)[O-])c1	768328723	IZIFXCWOYHQKHO-UHFFFAOYSA-N	324.337	1.209	50	20	DDGD	
CO[C@](C)(C(=O)NN[C@@H](C)C(F)(F)F)C(=O)OC(C)(C)C	862322091	HMHDFLDJALRQGT-WRWORJQWSA-N	314.304	1.305	50	20	DDGD	
COc1nccnc1NNC(=O)C(=O)Nc1cccc(C)c1F	766264331	IQZPTKAJKBNKHF-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
COc1ccc(NNC(=O)c2cccn(CC(C)C)c2=O)nc1	935536417	JFUQDCBZJXBVKJ-UHFFFAOYSA-N	316.361	1.665	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(OC)c(Cl)n2)n1	768222615	HLFMCJZCITWELL-UHFFFAOYSA-N	323.740	1.608	50	20	DDGD	
CCc1cccc(C)c1NC(=O)C(=O)NNC(=O)C1CCCC1	764076217	BXIVESVHVVHZOI-UHFFFAOYSA-N	317.389	1.834	50	20	DDGD	
Cc1cc(=NNC(=O)c2csc([C@@H]3CCCO3)n2)cc[nH]1	862514517	PEUYVGKBWUSBGW-LBPRGKRZSA-N	304.375	1.877	50	20	DDGD	
O=C(NNC(=O)c1cc2n(n1)CCCO2)c1cccc(Cl)c1	761403801	XJCIMRXEYWFESY-UHFFFAOYSA-N	320.736	1.394	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCC3(CC2)CC3)c1	761063284	RCVBHNBOTKNFID-UHFFFAOYSA-N	301.390	1.632	50	20	DDGD	
CO[C@@](C)(C(=O)NN[C@H](C)C(F)(F)F)C(=O)OC(C)(C)C	862322089	HMHDFLDJALRQGT-HQJQHLMTSA-N	314.304	1.305	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NC[C@@H](N)c1ccccc1	866737441	FPURZZQOIJICQH-GFCCVEGCSA-N	304.843	1.871	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H]2CCCN2C(=O)CC(C)(C)C)cc[nH]1	862510807	UDAAAYMUZSWEAI-AWEZNQCLSA-N	318.421	1.682	50	20	DDGD	
O=C(/C=C\CN1CCOCC1)NNc1cc(F)c(F)c(F)c1	866880541	REYYTDBCEKLNSW-UPHRSURJSA-N	315.295	1.435	50	20	DDGD	
Cc1nn(CC(F)F)c(C)c1C(=O)NNC(=O)C(C)(C)C	760846858	SOEOTUBDWVRJHN-UHFFFAOYSA-N	302.325	1.572	50	20	DDGD	
Cc1cc(C)c(NC(=O)C(=O)NN=c2cc[nH]c(C)c2)c(C)n1	861959749	GOQYVQIUKQIUKB-UHFFFAOYSA-N	313.361	1.214	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1CCCc2scnc21	863077247	NDIDLRRAKDXDRG-UHFFFAOYSA-N	307.404	1.961	50	20	DDGD	
CCC1(CC)[C@@H](NC(=O)NNc2nccc(OC)n2)C[C@H]1OC	767162466	VLFDIXSXLGSJCT-WDEREUQCSA-N	323.397	1.705	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NNc1nnc(C)c(O)n1	768691283	QZRSMUJNESBIAN-QWRGUYRKSA-N	309.370	1.314	50	20	DDGD	
Cn1nc2c(c1C(=O)NNC(=O)c1ccccc1O)CCCC2	767822617	FYRAZTZOYFXCNP-UHFFFAOYSA-N	314.345	1.079	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)Oc1ccccc1F)c1ccnn1C	765994356	DTVPCSKPPOKIEV-LLVKDONJSA-N	304.325	1.867	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccccc1COC	778558353	TVGAFENTCPSVFT-JTQLQIEISA-N	300.380	1.189	50	20	DDGD	
O=C(CCO)NN=C1CCc2cc(Br)ccc2C1	1116204501	CAHSQUGNQVXSNJ-UHFFFAOYSA-N	311.179	1.792	50	20	DDGD	
CCCN(CCC)c1ccc(NC(=O)NNC(=O)CCO)cc1	1118295500	TZYXWDNXFPRDTI-UHFFFAOYSA-N	322.409	1.848	50	20	DDGD	
C[C@H](CNC(=O)NNc1cccc(F)c1Cl)S(C)(=O)=O	875422107	XIDNHHQSNURWAA-SSDOTTSWSA-N	323.777	1.538	50	20	DDGD	
O=C(N1C[C@@H]2CC[C@H](C1)N2)[C@@]12CC[C@@H](C[C@H]1Br)C2	877171557	ASBJIFHEENMMKB-YCGPCKTQSA-N	313.239	1.903	50	20	DDGD	
CN1CCC(=NNC(=O)C(=O)Nc2ccccn2)c2ccccc21	1117103333	XGHNESGVAPEJPP-UHFFFAOYSA-N	323.356	1.381	50	20	DDGD	
CN1C(=O)COc2ccc(NC(=O)NNc3ccccn3)cc21	779057741	FLJYIFYWCBSAAU-UHFFFAOYSA-N	313.317	1.585	50	20	DDGD	
COCc1nnc(-c2cccc(C(=O)NNC(=O)C(C)C)c2)o1	776702070	HIBSCJRTKDTOLU-UHFFFAOYSA-N	318.333	1.300	50	20	DDGD	
CN(C)CC1(C(=O)NNC(=O)c2cn(C)c3ccccc23)CC1	873831375	ACUHHFNGPRPGDT-UHFFFAOYSA-N	314.389	1.281	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cccc(C)n2)cc1	773627215	SQGVKFIAXRYWDB-UHFFFAOYSA-N	300.318	1.480	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cnc(C2CCCC2)nc1N	1118546848	SGQIWHUPOXRFGA-UHFFFAOYSA-N	322.438	1.234	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](CCOC)c1ccc(C)o1	779395839	ABPZWXIQJIUNTR-LLVKDONJSA-N	313.354	1.033	50	20	DDGD	
CCC1(O)CCC(NC(=O)NNC(=O)c2ccccc2O)CC1	772598182	UWUIITWWABDDQT-UHFFFAOYSA-N	321.377	1.420	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1cc[nH]n1	772963361	IZWIQNWFRWYZDL-MRVPVSSYSA-N	308.725	1.292	50	20	DDGD	
Cc1cc(=NNC(=O)NCc2ccc(C(C)(C)O)cc2)cc[nH]1	875504375	KBSVJHDMNRTDQF-UHFFFAOYSA-N	314.389	1.866	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H](C)C(=O)N2CCCC[C@H]2C)cc[nH]1	875304722	DOODMIVFWWIDGR-OLZOCXBDSA-N	319.409	1.228	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)CCS(C)(=O)=O	777530492	BOUSAHSLCBWUTQ-UHFFFAOYSA-N	307.375	1.421	50	20	DDGD	
COc1ccc(-n2c(C)cc(C=NNC(=O)CO)c2C)cc1	776783102	NAMGZVYIMGCBSN-UHFFFAOYSA-N	301.346	1.545	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2cc(O)cs2)c1	776534857	VVIDCUXSJYWGRD-UHFFFAOYSA-N	312.372	1.614	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCCC[C@H](C)C2)cc1	775729826	VFXRKXLKAYBOEL-AWEZNQCLSA-N	303.406	1.878	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@H]1CCCC12OCCO2	889529289	KJXRPCMENFHWAK-JTQLQIEISA-N	314.292	1.282	50	20	DDGD	
COC(=O)Cc1ccc(OS(=O)(=O)CCCCl)cc1	881740735	QEYZXLRWHJZKNB-UHFFFAOYSA-N	306.767	1.740	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1nccs1	770082973	IJIAYQYQKFVKBP-QMMMGPOBSA-N	309.322	1.511	50	20	DDGD	
CC[C@H](CO)C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	779579676	QZGZDQVQZWCVNY-QWHCGFSZSA-N	308.378	1.237	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc(Oc2ccccc2)o1	779823073	JUJMAIKDVPUHKR-UHFFFAOYSA-N	317.301	1.878	50	20	DDGD	
Cc1c(C(=O)NN(C)C(N)=O)cnn1-c1ccc(F)cc1F	778415192	SEVVLDPSDZQGBT-UHFFFAOYSA-N	309.276	1.114	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1csc(C2CC2)n1	772068222	VGYKGKXMCMAXBS-ZETCQYMHSA-N	311.363	1.123	50	20	DDGD	
COC(=O)c1cc(NC(=O)NCCSSC)nn1C	889076195	ACPLKRDNLLEIMT-UHFFFAOYSA-N	304.397	1.339	50	20	DDGD	
C=CCC[C@@H]1CCCN1C(=O)NNC(=O)Cc1cccnc1	1121865240	OLZYGRVCUSFILQ-CQSZACIVSA-N	302.378	1.796	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](c1ccc(Cl)cc1)N(C)C	887150328	GHSSQWGFLZYVKK-HNNXBMFYSA-N	321.808	1.894	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)CCC(C)(C)O)cc1	786673341	GCCXGJRVHHFEEF-UHFFFAOYSA-N	310.419	1.786	50	20	DDGD	
C[C@@H](NC(=O)NNc1cc(F)c(F)c(F)c1)c1nnnn1C	1123737836	KSDLWXFJZKMWRW-RXMQYKEDSA-N	315.259	1.015	50	20	DDGD	
Cc1nnc(CNC(=O)c2c(C)nn(CCCl)c2C)s1	780281598	WYAFMPBPGPMYBM-UHFFFAOYSA-N	313.814	1.829	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cc2ccccc2[nH]1	788421067	OYEHZIWOIDDLCO-ZDUSSCGKSA-N	314.389	1.586	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc3c(c2)OCC(=O)N3)nc1	781533727	NUFFXSSULRLHRC-UHFFFAOYSA-N	314.301	1.178	50	20	DDGD	
COC(=O)c1ccsc1NC(=O)C(=O)NNc1ccccn1	784791997	DJYDHIITITVNRM-UHFFFAOYSA-N	320.330	1.012	50	20	DDGD	
O=C(NNc1ccc(F)cc1)C(=O)Nc1cnn(C2CCC2)c1	1120941863	PKRWFQZYFAWSCU-UHFFFAOYSA-N	317.324	1.829	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@H]1CCCCS1	784308628	KZXRLXSAYOTZJL-LLVKDONJSA-N	323.418	1.925	50	20	DDGD	
C[C@H]1C[C@H](CC(=O)NNC(=O)N2CCN(C)CC2)CC(C)(C)C1	788165775	GVKCBJNWGWKRTP-UONOGXRCSA-N	324.469	1.827	50	20	DDGD	
CC(=NNC(=O)Cc1nc2ccccc2n1C)[C@@H]1CCCO1	783806538	OOQIGHCTQFQUFU-AWEZNQCLSA-N	300.362	1.787	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)CC[C@H]2NC(=O)NC2=O)cc1	781042818	VZASPCAALNTZAA-GFCCVEGCSA-N	318.377	1.415	50	20	DDGD	
O=C1CC[C@@H]2[C@H]1[C@@H]2C(=O)NNc1ccc(Br)nc1	894768547	KODXUEQIAHCDJF-AVPPRXQKSA-N	310.151	1.512	50	20	DDGD	
COC(=O)[C@H]1C[C@H](C)CCN1S(=O)(=O)CCCCCl	780849035	IVSQAEHCAVYZSY-GHMZBOCLSA-N	311.831	1.609	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccc(O[C@H]2CCOC2)cc1	790006241	XFCGZMBOOVKVHZ-ZDUSSCGKSA-N	318.308	1.540	50	20	DDGD	
CC[C@H]1CN(CC(=O)NNC(=O)c2cccc(C)c2)CCCO1	799201420	WPOXMCMEGSOIQR-HNNXBMFYSA-N	319.405	1.257	50	20	DDGD	
COc1sc(/C=C(/C#N)S(N)(=O)=O)cc1Br	799894314	RLQYNGAKGRIBSF-KXFIGUGUSA-N	323.193	1.672	50	20	DDGD	
CC(C)c1cc(NC(=O)NNc2nc3ccccn3n2)no1	792320045	BLEPKIQZQSNQQB-UHFFFAOYSA-N	301.310	1.989	50	20	DDGD	
COCC[C@@H]1CCCC1=NNC(=O)CNC(=O)c1cccs1	799877722	HQTCQZHEKRNSOO-NSHDSACASA-N	323.418	1.787	50	20	DDGD	
CO[C@@H]1C[C@H](NC(=O)NNc2nc3ccccn3n2)C1(C)C	790423275	WYDHPNQCIVPVMU-VHSXEESVSA-N	304.354	1.169	50	20	DDGD	
CO[C@@]1(C)CCCN(C(=O)NNC(=O)c2cccc(C)n2)C1	793227408	CALKKHSUKYOCCN-HNNXBMFYSA-N	306.366	1.245	50	20	DDGD	
CN(C)c1cc(C(=O)NN=C2CC(=O)N3CCCC[C@@H]23)ccn1	799479946	KYBSHEGSWGHAKR-ZDUSSCGKSA-N	315.377	1.018	50	20	DDGD	
CO[C@@H]1CCOc2c(NC(=O)NNC(=O)C(C)C)cccc21	790578588	CSAKRNJJXDWBCS-GFCCVEGCSA-N	307.350	1.965	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1cccc(C(=O)OC)c1	1319641325	YXLOTMOBTXFLMQ-GXDHUFHOSA-N	302.330	1.533	50	20	DDGD	
O=C(NCCCCc1ccccc1)NNC(=O)C1CCNCC1	1325311989	CPKGUBPKJXBDGE-UHFFFAOYSA-N	318.421	1.339	50	20	DDGD	
O=C(NNc1ncc(F)cn1)C(=O)Nc1scnc1C1CC1	1320597407	QFTNNUSHZDDOIA-UHFFFAOYSA-N	322.325	1.031	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cncnc2C2CC2)cc1	1325346451	PUKPTQQMQJESAS-UHFFFAOYSA-N	312.329	1.437	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1n[nH]c2c1CCCC2)c1ccco1	1329174074	SFWOMAWDFTWKRT-SNVBAGLBSA-N	316.361	1.836	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CCC[C@H](F)C2)cc1	1326026112	BDONDLQRWSRDSG-STQMWFEESA-N	323.368	1.985	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@H](C)n2cccc2)nc1C	1325005498	GAWLDJMPNYHAOK-NSHDSACASA-N	317.349	1.468	50	20	DDGD	
O=C(NNc1ncccn1)c1scnc1Br	1323522531	RRPLFOWLEFJVET-UHFFFAOYSA-N	300.141	1.453	50	20	DDGD	
COc1cc(OC2CC2)ccc1C(=O)NNc1ccncn1	1324481441	HEIQJRVZVMJACW-UHFFFAOYSA-N	300.318	1.783	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H]1CCc2ccc(C(C)C)cc21	1338499975	AMYQQGFTVGJICG-CYBMUJFWSA-N	319.361	1.301	50	20	DDGD	
COCCOc1ccc(C(C)=NNC(=O)C2CCOCC2)cc1	1330916864	HXTKXGOPFNNIBN-UHFFFAOYSA-N	320.389	1.979	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2ccc(OC)cn2)cc1	1339481139	FJGMISPRPOBAAR-UHFFFAOYSA-N	315.329	1.103	50	20	DDGD	
CCc1ncoc1C(=O)NNC(=O)COc1ccc(C)c(C)c1	1336749300	AQOPGVSWWHGHLV-UHFFFAOYSA-N	317.345	1.694	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccccc1Cl	1335454447	CNBISFQLKAFCMS-NXEZZACHSA-N	310.737	1.300	50	20	DDGD	
Cn1nc(CNC(=O)NNc2ncncc2Cl)cc1C1CC1	1340980028	HUWDXCQKNARIKF-UHFFFAOYSA-N	321.772	1.567	50	20	DDGD	
O=C(CCc1ccc(O)nc1)NNc1ccc2c(=O)[nH]ccc2c1	1261095055	AZDYIDCFELEZIM-UHFFFAOYSA-N	324.340	1.705	50	20	DDGD	
CCOc1ccc(CCNC(=O)NNc2ccncn2)cc1	1355188272	YFVWKOJQPSOVEC-UHFFFAOYSA-N	301.350	1.744	50	20	DDGD	
CC(C)CN(CC(=O)NN(C)C[C@H](C)O)C(=O)OC(C)(C)C	1354059951	UYAOCQSNQNKXTO-LBPRGKRZSA-N	317.430	1.223	50	20	DDGD	
CCCN(CC)CCNC(=O)NNc1cccc(C(=O)O)c1	1605312648	MIHKFVISDMAVFR-UHFFFAOYSA-N	308.382	1.743	50	20	DDGD	
CN1CCCC[C@H]1CNC(=O)NNc1ccc(F)c(C(=O)O)c1	1606224474	JLYPTWURCGUJMA-NSHDSACASA-N	324.356	1.634	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C(=O)Nc1cc(C(=O)O)cs1	1601561363	CNKVUYGAOKACQX-UHFFFAOYSA-N	324.293	1.062	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)N2CCC[C@H](C)C2)cc1C(=O)O	1607808490	QPDHDSZKMHNNSI-JTQLQIEISA-N	319.361	1.395	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2ccc(F)c(C(=O)O)c2)nc1	1608200881	SKCDRNCGUGTIOC-UHFFFAOYSA-N	300.249	1.547	50	20	DDGD	
Cc1cc(CCC(=O)NNc2ccc(CC(=O)O)cc2)n[nH]1	1607637816	KADYQZXBXSDMNC-UHFFFAOYSA-N	302.334	1.421	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)O)CC1)c1c(Cl)cccc1Cl	1601552740	GNYNVZCWFXTRHX-UHFFFAOYSA-N	317.128	1.619	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)C1(n2cccn2)CC1	1602230073	DDKNKSOOSCTVMN-UHFFFAOYSA-N	304.281	1.353	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccc(F)c(C(=O)O)c1	1607939101	HPSCBHYAXKUMSV-UHFFFAOYSA-N	321.268	1.022	50	20	DDGD	
CC(C)(C=NNC(=O)C(=O)O)[C@H](C[N+](=O)[O-])c1ccccc1	1603575912	PYAVRXTVPJBHPU-LLVKDONJSA-N	307.306	1.260	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2ncoc2[C@@H]2CCCO2)c1	1610848621	OAGNAWYYVKOCPM-NSHDSACASA-N	317.301	1.981	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H](F)C2CNC2)cc1C	1579723090	YIDUSXCSOTXGCI-LBPRGKRZSA-N	310.398	1.179	50	20	DDGD	
COCCCNC(=O)NNC(=O)C[C@H]1CCNc2ccccc21	1579017124	WOUUAPAHPYXHDF-GFCCVEGCSA-N	320.393	1.343	50	20	DDGD	
CNCCC(=O)NNC(=O)c1cc2c(s1)CCCCCC2	1573902257	SCXOSTQQPAXFTM-UHFFFAOYSA-N	309.435	1.778	50	20	DDGD	
Cn1c(=NNC(=O)c2cnc(N)s2)sc2ccccc21	1579940066	NWCWIYUQNBIYQV-UHFFFAOYSA-N	305.388	1.524	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CC(C)(C)CN)c1	1579672473	CUXYVJLWUGYZHR-UHFFFAOYSA-N	308.451	1.996	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)c1cn([C@H]2CCCNC2)nn1	1580739258	AZOQCSGCMYMIPZ-JTQLQIEISA-N	321.772	1.008	50	20	DDGD	
O=C(NNc1ncncc1F)Nc1sccc1-c1nn[nH]n1	1582562764	OQSWAOHKZGNTOG-UHFFFAOYSA-N	321.301	1.006	50	20	DDGD	
Cc1c(C(=O)NN[C@@H](C)C(F)(F)F)cccc1-c1nn[nH]n1	1591810051	OXYDNGDCQRSXIO-ZETCQYMHSA-N	314.271	1.360	50	20	DDGD	
CC(C)(NS(=O)(=O)CCCCl)c1nocc1C(=O)O	1590874396	FXUDQLQCLUNMJK-UHFFFAOYSA-N	310.759	1.156	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@H](C)Cc1cnc[nH]1	1599376283	PBLSMGWHJLXGPY-VIFPVBQESA-N	318.333	1.438	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@@H]1CCSC1	1593161142	KUWPFACPJCCALM-SSDOTTSWSA-N	324.797	1.716	50	20	DDGD	
CC1(C)OC[C@H]2C[C@@]21C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1590119904	VMCFBNWYDRPKKR-BMIGLBTASA-N	314.349	1.125	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2ccc(CCC(=O)O)o2)n1	1776057839	JGKUHUGMHFCZLA-UHFFFAOYSA-N	301.302	1.764	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C/c1cccc2[nH]nc(C(=O)O)c12	1776946207	VNIOMIBDFKHHSG-RMKNXTFCSA-N	305.315	1.560	50	20	DDGD	
COc1cccc(NNC(=O)Nc2ccnn2CC2CC2)n1	160257675	XEHZXEYEERUBJZ-UHFFFAOYSA-N	302.338	1.845	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1cc(F)cc(F)c1	151386224	PIGSAJQJTMXAOO-UHFFFAOYSA-N	306.272	1.755	50	20	DDGD	
C[C@H](C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)c1cccs1	151407296	WQOFCZWTMNZYCK-WDEREUQCSA-N	316.448	1.344	50	20	DDGD	
C[C@@H](CBr)CN(C)CCCN1CCN(C)CC1	152745469	DKYXQUIUQFJFLB-ZDUSSCGKSA-N	306.292	1.587	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2csc3c2CC[C@@H](C)C3)[nH]n1	153127301	HQOYQQNKJKISEI-MRVPVSSYSA-N	318.402	1.979	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)nc1	157533009	GQGGLKLCAOAARZ-QWRGUYRKSA-N	305.382	1.342	50	20	DDGD	
CC(=O)NC1C[C@H](Br)C(=O)[C@@H](Br)C1	2048531979	UNRCHFJOOQIGJW-BQBZGAKWSA-N	312.989	1.381	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C2CCC2)cc1	8208848	CMSIIKLTOHUHAE-LLVKDONJSA-N	306.362	1.800	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccccc1)N1CCc2ccccc21	52712236	QLJLWKCQXGKYIK-ZDUSSCGKSA-N	309.369	1.899	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@H](C(=O)NNc2ccc(Cl)nn2)C1	175242776	NLXFIHKTLORWAE-DTWKUNHWSA-N	312.757	1.553	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cc(-c2ccccc2Cl)[nH]n1	113428060	ZRFXNUJWHZHFKL-UHFFFAOYSA-N	321.768	1.053	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)C(C)(C)C)c(C)c1C	117228367	IGWJFLDMMSSPDJ-UHFFFAOYSA-N	314.407	1.668	50	20	DDGD	
CC(C)COc1ncccc1C(=O)NNC(=O)c1ccncc1	171268675	QXFLCHYSEZCZBF-UHFFFAOYSA-N	314.345	1.586	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2ccc(C(F)(F)F)nn2)CC1	178871202	NIFTUBYBXROUGK-UHFFFAOYSA-N	318.255	1.282	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1csc([N+](=O)[O-])c1)C1CC1	175531644	WDFXOPLEQCRDHQ-LURJTMIESA-N	314.392	1.564	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCc2cccc(O)c2)cc1	64225751	FAZTVDYLFCEUJM-UHFFFAOYSA-N	310.313	1.408	50	20	DDGD	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)c1cccnc1	27765511	HQBCWUIHNSSDTP-LLVKDONJSA-N	310.313	1.182	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(C)ccc1[N+](=O)[O-]	184365293	MNBNPNGJSLVXJN-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2Oc3ccccc3O[C@H]2C)nc(C)n1	172373395	CWGSHMUWIKEZDZ-BONVTDFDSA-N	314.345	1.765	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)on1	112824933	MMJYPQJHVOHYCA-UHFFFAOYSA-N	311.301	1.244	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)C(C)(C)C)N1C[C@@H](C)O[C@H](C)C1	119615956	CXLKISDGAOZTJT-UPJWGTAASA-N	313.442	1.314	50	20	DDGD	
CCN1CCCC[C@@H]1CNC(=O)NNc1cncc(Cl)n1	111883282	UXNRTDITGGPGRW-SNVBAGLBSA-N	312.805	1.631	50	20	DDGD	
CCc1cnc(CNC(=O)NNC(=O)c2ccc(C)o2)s1	177300921	FBVAKJQFUCXQMT-UHFFFAOYSA-N	308.363	1.751	50	20	DDGD	
C[C@H]1CCN(CCI)CC[S@@]1=O	307708759	KDJICPGJLQNHNS-UFBFGSQYSA-N	301.193	1.264	50	20	DDGD	
CCC(CC)n1ncc(C(=O)NNC(=O)c2cnn(C)c2)c1C	122179921	DUAQLIGPEYHFPB-UHFFFAOYSA-N	318.381	1.361	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(F)c(Br)c1	173041630	WYTFMEQVSWXNME-UHFFFAOYSA-N	305.103	1.979	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc2cnn(C(C)C)c2nc1C	68454624	WMNRTFPCDGCMMN-UHFFFAOYSA-N	304.354	1.285	50	20	DDGD	
O=C(NNS(=O)(=O)c1c[nH]c2cccc(F)c12)c1ccc[nH]1	185176852	PZNZPNRBQMHBCA-UHFFFAOYSA-N	322.321	1.258	50	20	DDGD	
C[C@@H]1OCCN(C(=O)NNC(=O)c2cccc(C#N)c2)[C@@H]1C	120600791	RUGULCQYGULGRS-MNOVXSKESA-N	302.334	1.022	50	20	DDGD	
COc1cc(C)ccc1NC(=O)NNC(=O)c1cccn1C	184550570	UJUYHOCAZBDODH-UHFFFAOYSA-N	302.334	1.809	50	20	DDGD	
Cc1ccc(Cl)c(S(=O)(=O)NNC(=O)[C@@H]2CCCO2)c1	124009413	IQLDQOZQQVGEAB-JTQLQIEISA-N	318.782	1.137	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1csnn1	75472962	IFXGVKPLDVAFQH-UHFFFAOYSA-N	320.418	1.906	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H](C)CCCOC)n1	183571141	COKLMGCBDOACQP-LBPRGKRZSA-N	309.414	1.829	50	20	DDGD	
COc1nccnc1NNC(=O)Cc1cc(F)c(F)cc1F	131771193	HTLGPRLPUOEENZ-UHFFFAOYSA-N	312.251	1.588	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1C[C@@H](C)C[C@@H](C)C1	136184480	DXJLWPCKSCDRRC-OKILXGFUSA-N	317.433	1.663	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)OC(C)(C)C)N1CCCC[C@H]1C	46338539	SCSBKUBAHUMIHB-NEPJUHHUSA-N	314.430	1.988	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C[C@@H]2CCCCO2)c1	88278786	GWRGIHHOUDVSKD-AWEZNQCLSA-N	317.414	1.945	50	20	DDGD	
COc1ccc2cccc(CC(=O)NNC(=O)C(C)(C)O)c2c1	190064583	IZEISCXIYRTWQX-UHFFFAOYSA-N	316.357	1.309	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCc2nccs2)cc1	194537656	HQKWVSXZEQPKMN-UHFFFAOYSA-N	320.374	1.361	50	20	DDGD	
O=C(C[C@@H]1CCCOC1)NNC(=O)c1cccc([N+](=O)[O-])c1	194968001	MWDGPRONHMBWBY-JTQLQIEISA-N	307.306	1.173	50	20	DDGD	
O=C1CCCC[C@@H](C(=O)NNc2cc(F)c(F)c(F)c2)N1	194390275	XNBDSDIDGCHBJU-JTQLQIEISA-N	301.268	1.606	50	20	DDGD	
COCCOCCNC(=O)N/N=c1/sc2ccccc2n1C	194357251	IAZCAIFQNRCSBM-SAPNQHFASA-N	324.406	1.018	50	20	DDGD	
C[C@H](Cc1ccccc1F)NC(=O)NNC(=O)c1ccc[nH]1	97215594	ZROXCRIMAOQAPW-SNVBAGLBSA-N	304.325	1.729	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)nc(C)n1	265570572	WABQHGYXUWALGO-SECBINFHSA-N	309.370	1.450	50	20	DDGD	
CC(C)C1(CNC(=O)NNC(=O)COc2ccccc2F)CC1	267853185	QSAOQANDCRTQKJ-UHFFFAOYSA-N	323.368	1.971	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc[nH]2)cc1	267582049	LPMVHWZTUAYKCH-LLVKDONJSA-N	317.345	1.642	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCN1C(=O)c1ccco1)C1CCC1	264663469	DZAXPONJQLWHBZ-GFCCVEGCSA-N	319.361	1.222	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNc1ccc(Cl)nc1	266502742	FKGDVDIMZUTXQG-UHFFFAOYSA-N	300.746	1.703	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@@H]1CCOC1	276918866	RNWVTVOWKFMUMF-VHSXEESVSA-N	312.753	1.291	50	20	DDGD	
C[C@H]1C[C@H](CCNC(=O)NNC(=O)Cc2cccnc2)CCO1	273226883	VTAZSNDKEIQQQS-QWHCGFSZSA-N	320.393	1.160	50	20	DDGD	
CCCCCc1ccc(NC(=O)C(=O)NNC(=O)OC)cc1	274256047	VQOBQMJQNQZTHN-UHFFFAOYSA-N	307.350	1.745	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)c1	278715099	SJTUBYCGEJTONW-ZDUSSCGKSA-N	308.403	1.653	50	20	DDGD	
CC(=O)N[C@H](CC1CCC1)C(=O)NNC(=O)c1ccccc1C	279839036	ZSRYTAXDFYOBQE-OAHLLOKOSA-N	317.389	1.451	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CCCOCC2)cc1	271916046	RRWILOQERVEHDX-ZDUSSCGKSA-N	321.377	1.273	50	20	DDGD	
Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CC=C(C#N)CC1	271118386	NLGMPXPDZGJYCB-UHFFFAOYSA-N	304.371	1.694	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1nc(-c2cccc(F)c2)no1	364812532	PDXPTPHBUQHUPK-PKNBQFBNSA-N	316.292	1.936	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1cccc(NC(=O)C2CC2)c1	273220982	PENNQKMPXUVMDF-UHFFFAOYSA-N	302.334	1.598	50	20	DDGD	
CCNC(=O)c1ccc(NC(=O)NNC(=O)C2CCC2)cc1	272350004	OENSXINYIZWYHX-UHFFFAOYSA-N	304.350	1.389	50	20	DDGD	
COc1ccc(NNC(=O)CNC(=O)NC2CCCCC2)nc1	275704007	YWNQTIOFFHOZJA-UHFFFAOYSA-N	321.381	1.165	50	20	DDGD	
C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)CCCCCl	376345117	YAKZMFGFMJPOTA-QWHCGFSZSA-N	308.875	1.894	50	20	DDGD	
COC1(CC(=O)NNc2nc(-c3cccnc3)no2)CCC1	277294282	RGHQHEJJMWGKFA-UHFFFAOYSA-N	303.322	1.534	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(C(=O)OC)ccc1C	272628357	WDEGGUAKBVLQAK-UHFFFAOYSA-N	308.338	1.479	50	20	DDGD	
Cc1ccc2oc(C(=O)NNC(=O)NCC(F)(F)F)cc2n1	281350758	VMOKLZGBQPXRDK-UHFFFAOYSA-N	316.239	1.643	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNc1cccc([N+](=O)[O-])c1C	289812108	NPFFXXHOWIDRMR-VIFPVBQESA-N	309.322	1.936	50	20	DDGD	
CCOC1(C(=O)NNC(=O)COc2ccccc2F)CCCC1	284438618	ZKRPNWFKCHRRSQ-UHFFFAOYSA-N	324.352	1.701	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNc1ccc2c(O)nccc2c1	285766372	RLISVSNKMYRYHP-SECBINFHSA-N	303.318	1.583	50	20	DDGD	
O=C(NNc1ccccc1)[C@H]1COCCN1CC(F)(F)F	287234393	WFFNLQHSFJWQDX-LLVKDONJSA-N	303.284	1.393	50	20	DDGD	
C[C@H](Oc1ccc(C=O)cc1)C(=O)NNC(=O)OC(C)(C)C	285090239	LOOKLGOASMUIGZ-JTQLQIEISA-N	308.334	1.822	50	20	DDGD	
CSSCCNC(=O)COc1ccc(C(N)=O)cc1	283977700	HFKMWMQUKPMSQZ-UHFFFAOYSA-N	300.405	1.292	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCCOc1ccccc1F	298647861	LFNWCHKRNUEWME-UHFFFAOYSA-N	313.329	1.943	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C2CC(O)(CCC(C)(C)C)C2)cn1	295975468	VYOVEEDKSWXMGZ-UHFFFAOYSA-N	322.409	1.149	50	20	DDGD	
CCOc1cnc(C(=O)NNc2ccc([N+](=O)[O-])cc2C)cn1	805377752	HTJPPRPMHNIDHT-UHFFFAOYSA-N	317.305	1.849	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H](C)Cc2ccccc2F)O1	294260091	ONCINNNBJYWLNN-MJVIPROJSA-N	308.353	1.719	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2cnn(C)n2)cc1	802979551	CZQXQIKCMMVOQV-JYRVWZFOSA-N	312.329	1.864	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cccnc1N1CCCCC1	294111594	JSPLDPMQCUTZBP-UHFFFAOYSA-N	302.378	1.633	50	20	DDGD	
COCCN(C)NC(=O)COc1cc(Cl)ccc1Cl	808075342	VOXMOOZVPHOIPI-UHFFFAOYSA-N	307.177	1.982	50	20	DDGD	
CC[C@@H]1CC[C@@H](C)N1CC(=O)NNC(=O)Cc1ccccc1C	299541547	FMSOVFRMDHADTQ-GDBMZVCRSA-N	317.433	1.948	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC(=O)c2cccn21)Nc1ccccc1	801990534	NYQYYXRPGIYMJT-ZDUSSCGKSA-N	312.329	1.859	50	20	DDGD	
Cc1cc([C@H](C)NC(=O)NNC(=O)[C@@H]2CCCO2)ccc1F	293189569	DJDBBXZNURKGOE-GWCFXTLKSA-N	309.341	1.705	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CCc3[nH]ncc3C2)cc(C#N)n1C	299291421	JFIUEJXMHCOCPN-WLRTZDKTSA-N	320.356	1.420	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)Cc1ccc(F)cn1	807195202	ZSCNGIDNRFVWCX-UHFFFAOYSA-N	303.293	1.693	50	20	DDGD	
C#CCC(C)(C)C(=O)NNc1ccccc1S(=O)(=O)N(C)C	294626438	LCCNZYCBEYBXDD-UHFFFAOYSA-N	323.418	1.430	50	20	DDGD	
CNC(=O)CCCNC(=O)NNc1cc(C(F)(F)F)ccn1	296455255	NOBPAENDYWCMEA-UHFFFAOYSA-N	319.287	1.253	50	20	DDGD	
Cc1c(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)cnn1C	802006317	HQYRRWNPIGOFGO-UHFFFAOYSA-N	309.276	1.473	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@@H]1CC(c2cccc(F)c2)=NO1	804765126	ICQHUVZAPYBTDX-LBPRGKRZSA-N	318.283	1.996	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(CN2CCOC2=O)cc1	298733342	SEEDSPNYQROVQG-UHFFFAOYSA-N	308.294	1.031	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NC1CC1)c1ccc2c(c1)OCO2	292903547	KEZCHGZRSAOMQA-UHFFFAOYSA-N	305.334	1.186	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc2c(c1)CCCC2=O	292618328	HOIYBIRUEQNKQC-UHFFFAOYSA-N	303.387	1.501	50	20	DDGD	
CO[C@H](C)c1nsc(NC(=O)NNC(=O)C(C)(C)C)n1	809929035	OYUPAIRGTCYHRW-ZCFIWIBFSA-N	301.372	1.444	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)CCc2ccccc2Cl)CC1	807383543	ZGOICGUWBPYGCH-UHFFFAOYSA-N	324.812	1.261	50	20	DDGD	
CCc1noc(NC(=O)NNC(=O)COc2cccc(C)c2)n1	296697773	IOICCDMEYYZWRU-UHFFFAOYSA-N	319.321	1.172	50	20	DDGD	
C[C@](O)(CCNC(=O)NNc1ncncc1F)c1ccccc1	292587325	BDRSVBZSOZFUAR-HNNXBMFYSA-N	319.340	1.540	50	20	DDGD	
Cc1ccc(C#N)cc1NC(=O)C(=O)NNc1cccc(F)n1	807391370	OOGFGVLAYHTVQM-UHFFFAOYSA-N	313.292	1.483	50	20	DDGD	
CCc1nc(-c2ccc(C(=O)NNC(=O)CC3CC3)cc2)n[nH]1	294148207	MFRGRLOXCYSZRV-UHFFFAOYSA-N	313.361	1.595	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1cc(CN2CCCC2)on1	291129399	GBGZVEKZUBJIAQ-UHFFFAOYSA-N	305.313	1.561	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cnn3c2OCCC3)cc1Cl	816083847	GZANGSFYQLKANV-UHFFFAOYSA-N	317.736	1.948	50	20	DDGD	
COc1nc(C(=O)NNc2ncncc2F)cc2ccccc12	817082112	NAOSRRVSKCVUDT-UHFFFAOYSA-N	313.292	1.929	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1COCCN1CC(F)(F)F	816628452	WYBYTPXDDBLIFI-ZETCQYMHSA-N	323.142	1.512	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@](C)(O)C2CCC2)cc1	813367542	DGTZEUICYLQHDC-MRXNPFEDSA-N	322.430	1.786	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CCc1ncccn1	812574810	GROZAXWMLMLMOC-UHFFFAOYSA-N	301.306	1.769	50	20	DDGD	
COCCCNC(=O)NN=C(C)[C@@H]1C[C@H](CC(=O)O)C1(C)C	814819415	JTFXNPQKCSERCS-NEPJUHHUSA-N	313.398	1.835	50	20	DDGD	
Cc1nn(C)c2cc(NC(=O)C(=O)NNc3ccccn3)ccc12	812978309	KQGVLPYGYOOZGI-UHFFFAOYSA-N	324.344	1.359	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2ccc(F)cc2F)nc1	815588585	SZDWTSBYJYNHNM-UHFFFAOYSA-N	317.255	1.313	50	20	DDGD	
Cc1nn(C)c(C(=O)NNc2cccc(Cl)n2)c1[N+](=O)[O-]	817007876	UDUTWLVRWJZVRM-UHFFFAOYSA-N	310.701	1.442	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1O)c1nccnc1C	814951262	UTEXGYWFXCWHQS-UHFFFAOYSA-N	300.318	1.410	50	20	DDGD	
CN(NC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C1CC1	819645573	NUPQDOUXSSLKDL-HNNXBMFYSA-N	303.387	1.741	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cnn(-c3ccccn3)c2N)n1	814874982	MYUZUASXLCYQRG-UHFFFAOYSA-N	324.348	1.013	50	20	DDGD	
NC(=O)Nc1cccc(C(=O)NNc2cccc(Cl)n2)c1	817003947	PUFWPDDZESRGCH-UHFFFAOYSA-N	305.725	1.983	50	20	DDGD	
CN(NC(=O)c1cc(Cl)ncc1Br)C(N)=O	810828744	IFXPBWTWUUXDMD-UHFFFAOYSA-N	307.535	1.153	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cc(O)ccc1Cl	816595944	HVWDAIUBQBPHPS-UHFFFAOYSA-N	306.709	1.329	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@H]1CCCCC(F)(F)C1	813763631	SEQKYZIOTIZRFB-JTQLQIEISA-N	307.341	1.569	50	20	DDGD	
COc1cccc(C2(CNC(=O)NNC(=O)C(C)C)CC2)c1	811920889	VWZYPGXXZBEKAS-UHFFFAOYSA-N	305.378	1.713	50	20	DDGD	
Cc1noc(C)c1[C@H](C)C(=O)NNC(=O)Cc1cccnc1	728849986	FRUDMIHDPZQHQG-VIFPVBQESA-N	302.334	1.180	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=S)NCCc1ccccn1	726129557	YQDWXYSRIGTDAO-UHFFFAOYSA-N	306.313	1.072	50	20	DDGD	
Cc1nn(-c2ccccc2)cc1C(=O)NNC(=O)c1ccc[nH]1	726524333	SOHOJLMSMKMHIJ-UHFFFAOYSA-N	309.329	1.584	50	20	DDGD	
Cn1c(=NNC(=O)c2cnc3n2CCC3)sc2ccccc21	820685568	JKXPCOJUCSMPMI-UHFFFAOYSA-N	313.386	1.628	50	20	DDGD	
COc1ccc2c(c1)CCCN(CC(=O)NNC(=O)C(C)C)C2	827675697	WYMVNRAQUNHKNZ-UHFFFAOYSA-N	319.405	1.247	50	20	DDGD	
COCC[C@H](C)NC(=O)NNC(=O)COc1ccc(C)c(C)c1	726261769	USFQHQRMKKZOTO-ZDUSSCGKSA-N	323.393	1.438	50	20	DDGD	
CC(C)N1CCC[C@H]1C(=O)NNc1cc(O)nc2ncccc12	829009223	SNDOICWGHWCAPT-ZDUSSCGKSA-N	315.377	1.651	50	20	DDGD	
N#C[C@H]1CC[C@@H](NC(=O)NNC(=O)CCc2ccccc2)C1	823886256	OYTHWWPZZHAREK-UONOGXRCSA-N	300.362	1.642	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)nc(C)n1	497273051	WSHFCBVSXPVAOR-MNOVXSKESA-N	321.381	1.450	50	20	DDGD	
C#C[C@@H](CC)NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	491659131	IJLGFNXDAODIIL-ZZTKBFGJSA-N	303.406	1.945	50	20	DDGD	
O=C(O)C1(NS(=O)(=O)CBr)CCCCC1	821483497	GBFJHXUTQQIHOM-UHFFFAOYSA-N	300.174	1.046	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	493096617	BZOIZRXQRAYWOJ-UHFFFAOYSA-N	323.252	1.126	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@H](C)c1cccc(Br)c1	823921716	ANTMEIYXRINVRW-VHSXEESVSA-N	315.211	1.896	50	20	DDGD	
COc1cccc([C@@H](OC)C(=O)NNC(=O)NC2CCCC2)c1	824343222	ULXQOAMOJPVUSN-CQSZACIVSA-N	321.377	1.656	50	20	DDGD	
Cc1nc(N2CC[C@H](B(O)O)C2)c2c3c(sc2n1)CCC3	585074101	STNUVHOZOYUITR-VIFPVBQESA-N	303.196	1.542	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNC(=O)c1ccc2ccccc2n1	491814303	JNKHTKNKERIRGA-CYBMUJFWSA-N	310.357	1.981	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CC(C)(C)[C@H]2c2cnn(C)c2)cn1	491009718	KSJVNXMCZOBAPB-DTHCKZEYSA-N	324.388	1.670	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(CC(=O)NNc2cnccn2)C1	492994346	UTHIMZZEXUMDIX-UHFFFAOYSA-N	307.354	1.177	50	20	DDGD	
CC[C@H](C)n1nc(NC(=O)NNC(=O)c2cc[nH]n2)cc1C	822384300	YDZPGEWALGQGRR-QMMMGPOBSA-N	305.342	1.352	50	20	DDGD	
CCC[C@@H](C)CC(=O)NNC(=O)CNC(=O)OC(C)(C)C	494458162	YPPYJYBNNSZHST-SNVBAGLBSA-N	301.387	1.485	50	20	DDGD	
CC(CS(=O)(=O)c1ccccc1)=NNC(=O)c1cccnc1	735409358	TUMMPIUNJDFUJL-UHFFFAOYSA-N	317.370	1.661	50	20	DDGD	
CC[C@H](C)[C@H]1CCCCN1C(=O)c1ccc(B(O)O)c(F)c1	584949444	LSZJSOUQACXWEJ-XHDPSFHLSA-N	307.174	1.546	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H](c1ccccc1)N1CCCCC1=O	731223800	ONXBYEQGYNGHRY-HNNXBMFYSA-N	317.389	1.544	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@@H]1CSc2ccccc21	838480883	FVLKEUXGKDBTBE-NEPJUHHUSA-N	321.402	1.733	50	20	DDGD	
Cc1cccc(C2(C(=O)NNC(=O)c3ncon3)CCC2)c1	832826001	OLUVXKVPXZXBCI-UHFFFAOYSA-N	300.318	1.261	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](C)c2cnn(C)c2)c1F	837061101	VPBGETKACZCKAM-VIFPVBQESA-N	320.324	1.593	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNc2cc(Cl)nc(C)n2)CC1=O	839689712	FHQPFUQSMKSRAP-VIFPVBQESA-N	311.773	1.140	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNc2ccc(C(=O)O)cn2)cc1	833732571	NUKJKXJDSRRZCA-RUDMXATFSA-N	313.313	1.945	50	20	DDGD	
CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1ccc(B(O)O)cc1	584980335	WQCWDPYEMCEECZ-NSHDSACASA-N	315.100	1.169	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21)Nc1cc(F)cc(F)c1	908049153	AUQPWRNBVVBJPM-ADEWGFFLSA-N	309.272	1.343	50	20	DDGD	
O=C(CCc1ccco1)NN[C@H](C(=O)O)c1ccc(F)cc1	739259150	JSAIFQZNIALYIF-AWEZNQCLSA-N	306.293	1.798	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)ccc1F	837036436	CAXJAKLPKGNHKS-IGJMFERPSA-N	310.325	1.869	50	20	DDGD	
C[C@@]1(CNCc2ccc(B(O)O)cc2)OCCc2sccc21	585041342	NVXQFOKEQRVYJN-INIZCTEOSA-N	317.219	1.006	50	20	DDGD	
C[C@H](COc1ccccc1F)NCc1ccc(B(O)O)cc1F	585019462	NEANENBTVHHSMB-LLVKDONJSA-N	321.132	1.202	50	20	DDGD	
O=C1CCC(=NNC(=O)c2cnn(-c3ccccc3)c2)CCN1	834958027	ATHARXLQIFRIEL-UHFFFAOYSA-N	311.345	1.258	50	20	DDGD	
CC[C@@H](C)CONC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836469149	ZWGGUPFPTSUJAA-SECBINFHSA-N	324.337	1.729	50	20	DDGD	
C[C@H](OC[C@H]1CCCCO1)C(=O)NNc1ccccc1C(=O)O	833536678	UETVCGADRWEGGD-NWDGAFQWSA-N	322.361	1.802	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)NCCOCC1CCCC1	836671486	DEQFXLHJAKBVIS-UHFFFAOYSA-N	321.381	1.046	50	20	DDGD	
CC(C)(C)C[C@H](NCc1cccc(B(O)O)c1)C(F)(F)F	585033246	BQWPHKTZQRFWGL-LBPRGKRZSA-N	303.133	1.823	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNC(=O)COc1ccc(C)c(C)c1	739050246	VGSIUJXNXRJWPG-ZDUSSCGKSA-N	323.393	1.438	50	20	DDGD	
CO[C@H]1CCN(S(=O)(=O)CBr)CC1(C)C	832210402	XAIGJTGXIUCONC-QMMMGPOBSA-N	300.218	1.416	50	20	DDGD	
CCOCCCN1CCC(=NNC(=O)NCC2CC2)[C@H](C)C1	735229535	IAGFJPAWQXIYJF-CYBMUJFWSA-N	310.442	1.820	50	20	DDGD	
C[C@@H](CN1CCN(C)CC1)NC(=O)NNc1ccc(F)cc1	730134203	RZZABBICFLZQNJ-LBPRGKRZSA-N	309.389	1.088	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2)c1ccc(Cl)cc1	837306659	DLTAZBAKDOKMFY-AXTRIDKLSA-N	306.749	1.716	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1C#N)[C@@H]1C[C@H]2CC[C@H]1O2	834928642	ZAZHLRYCKKBRST-IJEWVQPXSA-N	313.357	1.997	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@H]2CCCCN2C)c1	731861987	VUHWJWPDBMERFT-CQSZACIVSA-N	305.378	1.006	50	20	DDGD	
Cc1sc(=O)n(CCC(=O)NNC(=O)C2CCCC2)c1C	734318112	LIEHYOBCRBMJOR-UHFFFAOYSA-N	311.407	1.254	50	20	DDGD	
O=S(=O)(CCl)NCc1cccc(Br)c1O	831288069	MLEFUONHSJXZID-UHFFFAOYSA-N	314.588	1.770	50	20	DDGD	
COc1ccccc1C1(CNC(=O)NNC(=O)C2CCC2)CC1	732244679	KWNYMSANDOELRH-UHFFFAOYSA-N	317.389	1.857	50	20	DDGD	
O=C(COc1ccccc1F)NN[C@H](C(=O)O)c1cccnc1	833115087	WZFGLASLPDWXOI-AWEZNQCLSA-N	319.292	1.046	50	20	DDGD	
C=CC(C)(C)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	837865225	XAQROOJMVZXDCX-UHFFFAOYSA-N	304.346	1.511	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CSCc1ccc(Cl)cc1	910180532	LKIYPOXGLNCLRB-SNVBAGLBSA-N	302.827	1.917	50	20	DDGD	
CCNC(=O)NNC(=O)c1sc(N2CCCC2)nc1Cl	746593019	UNMUZBSMZNLDFY-UHFFFAOYSA-N	317.802	1.361	50	20	DDGD	
O=C(C[C@H]1CCOC1)NNC(=S)NCCc1cccs1	740177991	YIUABRPGGVEUDB-SNVBAGLBSA-N	313.448	1.213	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)CN(C)CC(=O)NC(C)C)c1	914531384	MANMACOYTXJKCK-UHFFFAOYSA-N	306.410	1.203	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C[C@@]1(OC)CCOC1	841605456	ZOYKYELRJOGVFF-HNNXBMFYSA-N	307.350	1.015	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@H](C)C2CCCC2)c1O	749529544	IWNJJGVNLSFXQF-SNVBAGLBSA-N	306.362	1.988	50	20	DDGD	
CC1(CNC(=O)NNC(=O)CCc2ccccc2)CCNCC1	841970352	VZFBKRSPMOXNDB-UHFFFAOYSA-N	318.421	1.339	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@@H]1CCN(CC(F)F)C1	841572833	SENYVLBBHHDYFK-SECBINFHSA-N	304.790	1.264	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=Cc1ccc(Cl)s1	743447852	QAXXLAHSNLWLRW-UHFFFAOYSA-N	312.738	1.296	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1c(F)cc(C#N)cc1F	843651175	AFUCJRUJNVDSNR-CBAPKCEASA-N	309.272	1.022	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCOC[C@H]2CCCO2)cc1	915619430	FBPALPLLRJGPAE-OAHLLOKOSA-N	320.389	1.596	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NC[C@@H]1CC1(Cl)Cl	747494788	ZUHGUMQGVQGPCX-VIFPVBQESA-N	317.176	1.148	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@@]1(C(=O)OC(C)(C)C)CC=CCC1	845335330	DOPTVWGZSPUJMH-OAHLLOKOSA-N	311.382	1.357	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(C(=O)OC(C)(C)C)cn1	843775645	AOBRKFLVROKRDG-UHFFFAOYSA-N	322.365	1.391	50	20	DDGD	
COc1ccc(COCCCC(=O)NN(C)C[C@H](C)O)cc1	910153558	BOWGLYSBGOBJKF-ZDUSSCGKSA-N	310.394	1.336	50	20	DDGD	
COCc1ccc(C(=O)NNc2ccnc(N(C)C)n2)cc1	740118960	XVMGEHAOKIJWIA-UHFFFAOYSA-N	301.350	1.446	50	20	DDGD	
N#Cc1csc(C=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)c1	748075150	AWTRQWUGXUNGRV-UHFFFAOYSA-N	315.314	1.874	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1scc2c1OCCO2	848371483	WQOGMJJCFIOLLE-UHFFFAOYSA-N	310.253	1.233	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC2CCOCC2)cc1C	918233534	XISYZWVOPDOFLU-UHFFFAOYSA-N	321.377	1.192	50	20	DDGD	
NC[C@@H](NC(=O)NNc1cnc2ccccc2n1)C(F)(F)F	848598491	ZVFFRTOCOUWIEV-SECBINFHSA-N	314.271	1.146	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C[C@H](OC)C(F)(F)F	844383710	MNTGKYSCUBFEMF-JTQLQIEISA-N	320.267	1.424	50	20	DDGD	
COc1cc(Cl)ccc1S(=O)(=O)NNC(=O)C(C)C	844253993	GEIZNYGNYUUKLQ-UHFFFAOYSA-N	306.771	1.314	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN(Cc1ccccc1F)C1CC1	744384403	BYYUUCOIXWKQSV-UHFFFAOYSA-N	321.396	1.984	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)c1O	846632058	IHYMVHAMPMRKIF-NTZNESFSSA-N	316.357	1.764	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NC[C@@H]1C[C@H](C)O[C@@H]1C	840434691	SDDVOUZFCYPECP-GUTXKFCHSA-N	319.405	1.681	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)C1(C(=O)NC2CC2)CCC1	748005649	DGZDANZSECMXIC-UHFFFAOYSA-N	318.333	1.487	50	20	DDGD	
O=C(Cc1ccncc1)NN=Cc1ccc(Br)cn1	747643409	HIADQUYVTBEVFS-UHFFFAOYSA-N	319.162	1.932	50	20	DDGD	
COC(=O)c1occc1C=NNC(=O)CCOc1ccccc1	747051729	SHXZRKRANYHPIN-UHFFFAOYSA-N	316.313	1.985	50	20	DDGD	
CCOC(=O)N1CSC[C@H]1C(=O)NNC(=O)OC(C)(C)C	929190211	VEIGMRGEVGELRP-QMMMGPOBSA-N	319.383	1.074	50	20	DDGD	
Cc1ccccc1[C@@H](CO)N(C)C(=O)/C(C#N)=C\c1cnn(C)c1	923719358	KKEDHOMESZRDMS-XYMPBJBSSA-N	324.384	1.828	50	20	DDGD	
Cn1nc(C2CC2)cc1CNC(=O)NNC(=O)OC(C)(C)C	927613294	VXEOCMHWTWQQSF-UHFFFAOYSA-N	309.370	1.536	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2C[C@H]2C2CC2)cc1C	751298063	WWWPCKGPFAVWMO-LSDHHAIUSA-N	302.374	1.876	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@H]2C=NNC(=O)c2cccn2C)cn1	853284139	RBYYACDSRNRTAT-SWLSCSKDSA-N	315.377	1.642	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)Cc2ccccc2F)cn1	757733958	QSYQZCJXIHUXFP-UHFFFAOYSA-N	302.309	1.925	50	20	DDGD	
CCCn1nccc1C=NNC(=O)CNc1ccc(OC)cc1	853262752	JBCJLPNRODSUGI-UHFFFAOYSA-N	315.377	1.864	50	20	DDGD	
CC(C)n1ncc(C(=O)NNc2cc(C#N)cc(Cl)n2)c1N	758431820	GPISRAXNZRHNEL-UHFFFAOYSA-N	319.756	1.723	50	20	DDGD	
COCCCNC(=O)NN=Cc1cnn(-c2ccccc2)c1	920829994	ONHNJJJUBYSTNT-UHFFFAOYSA-N	301.350	1.542	50	20	DDGD	
CCc1noc(C)c1C(=O)NNC(=O)Cc1ccccc1OC	920006845	XAAGYHPTEZOKKQ-UHFFFAOYSA-N	317.345	1.558	50	20	DDGD	
CCn1nccc1CNC(=O)NNC(=O)c1ccccc1C	851917523	GRKLXLLXYNDMQA-UHFFFAOYSA-N	301.350	1.356	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H](C)[C@H]2CCCOC2)c1	858353284	KDIOZEHLIWVGRI-MNOVXSKESA-N	311.407	1.816	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H]1C[C@H](OC)C1(C)C	753426163	VBUWNTPISVKCPI-STQMWFEESA-N	321.377	1.453	50	20	DDGD	
Cc1cc(C)n([C@H](C)CC(=O)NNC(=S)N[C@H](C)C2CC2)n1	855102269	IZDKNLPXWYLCSO-VXGBXAGGSA-N	323.466	1.745	50	20	DDGD	
CCn1ncnc1CNC(=O)NNc1cc(F)cc(Cl)c1	854033244	DTMLNIMQGBKGEC-UHFFFAOYSA-N	312.736	1.917	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H](C)OCC2CC2)cc1	920772937	IKYARHGQSSLBLQ-LBPRGKRZSA-N	306.362	1.336	50	20	DDGD	
Cc1nn(C)c(Cl)c1C(=O)NNc1cc(Cl)nc(N)n1	753681953	MZQCQMAFFOLLKL-UHFFFAOYSA-N	316.152	1.164	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NC[C@H]1CCCS1	756957950	MCQWWLXPOPVTFS-GFCCVEGCSA-N	323.418	1.464	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)Cc1c[nH]c2ccccc12)C1CC1	858145120	MGWGWPNRTDVNJN-MRXNPFEDSA-N	315.373	1.673	50	20	DDGD	
CC(C)(C)n1nnc(C=NNC(=O)CCOc2ccccc2)n1	853297869	IODLPMIYUQRROX-UHFFFAOYSA-N	316.365	1.347	50	20	DDGD	
O=C(/C=C\c1ccc2c(c1)OCO2)NNC(=O)NCC1CC1	920862120	OXXPGZRRSMZOEK-XQRVVYSFSA-N	303.318	1.169	50	20	DDGD	
Cc1cnc(CC(=O)NNc2ccc(C(F)(F)F)nn2)s1	857475433	ACWSZWILFCUZQW-UHFFFAOYSA-N	317.296	1.946	50	20	DDGD	
CCS(=O)(=O)C1CN(C[C@@H](CBr)C2CC2)C1	859325879	YLQJBLNIBVTFOQ-SNVBAGLBSA-N	310.257	1.526	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H](C)c1ccc(C)o1	854282030	BAFNEUOVMOFXJD-NSHDSACASA-N	313.423	1.566	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](C)CN2CCC(C)CC2)o1	852605795	WNPQZGZLWGRIKX-GFCCVEGCSA-N	322.409	1.652	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)C1(F)CCCC1	855832990	GIYMCGFKCQLVFT-UHFFFAOYSA-N	315.389	1.359	50	20	DDGD	
CCOC[C@@H](NC(=O)NNc1ncc(Cl)cn1)C(C)C	856886130	GNBVVZQLNXCSLK-SNVBAGLBSA-N	301.778	1.817	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H]2CCC[C@H](N)C2)C[C@H]1Br	857103058	AYNIPHKPZWCDLU-BTQIBKBOSA-N	304.232	1.729	50	20	DDGD	
Cc1nnccc1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	752993053	KSBIYXFCVUREDR-JTQLQIEISA-N	318.308	1.153	50	20	DDGD	
COc1ccnc(NNC(=O)CCNC(=O)C2CCCCC2)n1	751321657	NLLJVVFSSMUSSL-UHFFFAOYSA-N	321.381	1.015	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)[C@]1(C)CCOC1	755645785	DPFZKQJBQFKGQH-OAHLLOKOSA-N	324.402	1.361	50	20	DDGD	
CC[C@H]1CC(=NNC(=O)c2cccc(S(C)(=O)=O)c2)CCO1	756825345	FCJSZVHGCZBAGS-ZDUSSCGKSA-N	324.402	1.765	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCCOCCF)c1ccccc1	852714580	HDYFPDOLAQFJIY-CYBMUJFWSA-N	311.357	1.497	50	20	DDGD	
CCc1ccc(Br)cc1C(=O)NNC(=O)N(C)C	931118381	GBCPQWYRIIOISE-UHFFFAOYSA-N	314.183	1.928	50	20	DDGD	
O=C(NNC(=O)c1conc1C(F)(F)F)NC1CCCCC1	854192922	XWOFXLZDOAGPAC-UHFFFAOYSA-N	320.271	1.970	50	20	DDGD	
CCCCSCCC(=O)NNC(=O)C(=O)Nc1ccccn1	758840057	RVWQCNJKVQPDOH-UHFFFAOYSA-N	324.406	1.091	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NNC(=O)C2CCCC2)cc1	755511277	YDYZPXJCMUCKLP-UHFFFAOYSA-N	304.350	1.389	50	20	DDGD	
CCCC(=O)N1CSC[C@H]1C(=O)NN[C@H](C)C(F)(F)F	862312293	IVMVHBOAYBXXNH-SFYZADRCSA-N	313.345	1.260	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC[C@H](N2CCOC2=O)C1	867509419	UCBZNLWDOAZXQW-JTQLQIEISA-N	324.830	1.108	50	20	DDGD	
Cc1ccc2c(c1)OCCCC2=NNC(=O)[C@@H]1CCC(=O)N1	863148399	BAUDQYRKSCRCKQ-ZDUSSCGKSA-N	301.346	1.267	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1cc(Cl)ccc1C	866038330	KYAVRDQBJVODDZ-UHFFFAOYSA-N	315.757	1.464	50	20	DDGD	
C[C@H](CS(C)(=O)=O)C(=O)NNc1ccc(F)c(Cl)c1	863080833	PECMNZPMKVHHPT-SSDOTTSWSA-N	308.762	1.603	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNc1cccc(Br)c1	866867826	WLAVXAQIYWIDQH-LLVKDONJSA-N	314.183	1.807	50	20	DDGD	
Cn1ccc(CCNC(=O)NNc2cccc([N+](=O)[O-])c2)n1	761014924	XDYVOZDDVKTKNL-UHFFFAOYSA-N	304.310	1.197	50	20	DDGD	
C[C@@H]1CCC[C@@H](C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1	768360086	JZFIWJAURMZBDQ-UTUOFQBUSA-N	301.412	1.285	50	20	DDGD	
CC(CC1CCOCC1)=NNC(=O)CNC(=O)c1cccnc1	763195100	JYBRNPSNOJEULV-UHFFFAOYSA-N	318.377	1.120	50	20	DDGD	
CCc1nnc(-c2cccc(NCc3cccc(B(O)O)c3)c2)o1	864029353	LAACMCZSHBIECW-UHFFFAOYSA-N	323.161	1.591	50	20	DDGD	
Cc1csc(NC(=O)C(=O)NNC(=O)c2ccccc2C)n1	763959270	BXOUXSKHLHMALZ-UHFFFAOYSA-N	318.358	1.160	50	20	DDGD	
C[C@H](C(=O)NNc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC(=O)N1	862184928	KPQHABCATPUGFA-XVKPBYJWSA-N	310.285	1.092	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2cccc(CC(=O)O)c2)CC1	871934615	JDVZOBPTNNBCMV-UHFFFAOYSA-N	306.343	1.158	50	20	DDGD	
CC(=NNC(=O)c1sc(N)nc1C)c1cccc(C(=O)O)c1	764682928	JGHDZRJQDPNUQU-UHFFFAOYSA-N	318.358	1.886	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(OCc2ccncc2)cc1	765181034	XZRDHDZBHQJMRN-UHFFFAOYSA-N	300.318	1.833	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C)n2C)cc1	761730992	AUFRJVDKISPJCP-UHFFFAOYSA-N	314.345	1.042	50	20	DDGD	
COc1ccc(C(=O)NN=CC2CCN(C)CC2)cc1OC	872327801	LDRODVIGAXDECE-UHFFFAOYSA-N	305.378	1.761	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC[C@H](OCCO)C1	768293424	ASFPEHAIBXDKIG-WDEREUQCSA-N	322.243	1.796	50	20	DDGD	
CCC(=O)N1CC[C@H](NC(=O)[C@@H](Br)C(C)(C)C)C1	768271071	GDACMYZOHCZKIG-GXSJLCMTSA-N	319.243	1.923	50	20	DDGD	
CCCn1cc(C=NNC(=O)[C@@H](C)CN2CCCCCC2)nn1	872337250	YADSRIVEPIUJDL-AWEZNQCLSA-N	320.441	1.650	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCCn1ccc2ccccc21	874976138	LAYHHYIBAIOURB-UHFFFAOYSA-N	304.350	1.944	50	20	DDGD	
CCC(C)(C)CC(=O)NNC(=O)CNC(=O)OC(C)(C)C	778442553	XEIFXUVFRUSIAR-UHFFFAOYSA-N	301.387	1.485	50	20	DDGD	
COc1nccnc1NNC(=O)[C@](C)(O)CCc1ccccc1	774469560	ZRWARJGOBNWFJW-MRXNPFEDSA-N	316.361	1.312	50	20	DDGD	
C[C@H](CNC(=O)OC(C)(C)C)C(=O)NNc1ccc(F)cn1	874648267	KAXYVGMEXVHWCH-SECBINFHSA-N	312.345	1.825	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@@H]1CCOC2(CCOCC2)C1	1118100842	XGZGZHLURJTEED-LLVKDONJSA-N	313.398	1.091	50	20	DDGD	
C[C@@H]1CN(C)C[C@H](C(=O)NN=CC2([C@@H]3CCCCO3)CCC2)O1	872389394	IWNAHQSCLUQXTG-KFWWJZLASA-N	323.437	1.547	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)[C@@]12CCC(=O)N1CCS2	771688517	CTQQVEAYAMMECG-AWEZNQCLSA-N	309.366	1.643	50	20	DDGD	
CC1=NO[C@H](C(=O)NNC(=S)Nc2cccc(Cl)c2)C1	873786955	NMKZKYRHJBEKIH-JTQLQIEISA-N	312.782	1.822	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CN(C)CCc2ccccc2)n1	873912943	MVOIVPJSQIIYBZ-UHFFFAOYSA-N	313.405	1.711	50	20	DDGD	
Cc1cc(C(=O)NNc2nc(-c3cccnc3)no2)cc(O)n1	777394593	BFTUNZHRONOOQS-UHFFFAOYSA-N	312.289	1.298	50	20	DDGD	
COc1ccc(CCNC(=O)NNC(=O)C2CCC2)cc1O	876395215	XEIDXBPRFZRRIW-UHFFFAOYSA-N	307.350	1.074	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NC1(C(F)(F)F)CCC1	879378471	JNHGKMFHRVBCMY-UHFFFAOYSA-N	316.283	1.440	50	20	DDGD	
Cc1ncc(C(=O)NNc2ccnc(Br)c2)c(N)n1	771743506	BBSUNPICADRRSW-UHFFFAOYSA-N	323.154	1.282	50	20	DDGD	
COc1cc(NC(=O)CN2CC=C(C#N)CC2)cc(OC)c1	779591158	RUVYEUNKWAHFJL-UHFFFAOYSA-N	301.346	1.798	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@@H](O)Cc1ccccc1Cl	773743842	AVMBAHXRLHXVLE-LBPRGKRZSA-N	309.728	1.921	50	20	DDGD	
CC(C)CCn1nccc1NC(=O)NNC(=O)Cc1cc[nH]n1	779471237	OLCPZVCPBYVDIK-UHFFFAOYSA-N	319.369	1.048	50	20	DDGD	
C[C@@H]1C[C@H]1c1ccc(CCC(=O)NNC(=O)C2CCOCC2)o1	883060475	NFQPTFPCIPEJDH-BXUZGUMPSA-N	320.389	1.910	50	20	DDGD	
N#Cc1ccc(NNC(=O)NC[C@@H]2CCN(C3CC3)C2)nc1	887757634	IMAOWXZTEZMPJV-LBPRGKRZSA-N	300.366	1.064	50	20	DDGD	
C#CCOCCNC(=O)NNC(=O)c1cccc2ccccc12	784335742	MTRWQDDTRQLAMG-UHFFFAOYSA-N	311.341	1.434	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)NC[C@H]1CCC=CO1	780742603	AONCIVGPPSMTIX-CYBMUJFWSA-N	323.324	1.228	50	20	DDGD	
CCN1CCOC[C@@H]1C(=O)NNc1c(F)cc(F)cc1F	885151417	CKAZYPVHJKWXJS-LLVKDONJSA-N	303.284	1.268	50	20	DDGD	
O=S(=O)(CCCCl)NC1CCN(C[C@H]2CCCO2)CC1	881899866	GXXCUIGPYNQZFH-CYBMUJFWSA-N	324.874	1.178	50	20	DDGD	
O=C1NCCN1CCNCc1ccc(OCCCCl)cc1	886323792	KNEMBPWPEJYHLS-UHFFFAOYSA-N	311.813	1.809	50	20	DDGD	
CC(=O)NC1CCN(C(=O)[C@H](Br)C(C)(C)C)CC1	781084730	RXERZRMDOXCMQW-NSHDSACASA-N	319.243	1.923	50	20	DDGD	
CO[C@H](C(=O)NNc1ccc(-n2ccnc2)nn1)c1ccccc1	788179504	XBHZPDJNSIEFQM-HNNXBMFYSA-N	324.344	1.493	50	20	DDGD	
C[C@H]1[C@@H](C)N(S(=O)(=O)CCCCCl)CC[S@]1=O	780786818	RUIBSAKFSAQRCV-KCWFYHRYSA-N	301.861	1.177	50	20	DDGD	
CC(C)C(C)(C)C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1	784765357	QLJNALFFJQJMSC-STQMWFEESA-N	313.442	1.315	50	20	DDGD	
O=C(CNC(=O)c1ccccc1)NNc1ncncc1Cl	781815764	YDCXGYLEVSWBOH-UHFFFAOYSA-N	305.725	1.003	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C)cc1OC	781352625	HLBAKGGBROJUCN-JTQLQIEISA-N	308.334	1.106	50	20	DDGD	
O=S(=O)(c1cc2ccccc2s1)N1CC[C@@H](B(O)O)C1	899571610	ZGRSHMSYSLGKDD-SNVBAGLBSA-N	311.193	1.139	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)c2cccs2)C[C@@H](C2CC2)O1	791556495	KEQSDLNLOCXTMK-PWSUYJOCSA-N	323.418	1.008	50	20	DDGD	
Cc1cc(NNC(=O)Cc2ccc([S@](C)=O)cc2)ncn1	798111059	WBNYNYARHYMGOZ-NRFANRHFSA-N	304.375	1.208	50	20	DDGD	
COc1c(C(=O)NNC(=O)NC2CCCC2)cccc1[N+](=O)[O-]	793256631	YDFACDGNJGWNJN-UHFFFAOYSA-N	322.321	1.490	50	20	DDGD	
CC[C@H](C)CC[C@H](O)CC(=O)NNC(=O)c1cccc(C#N)c1	793417566	BQIAPAUIFUYYGU-WFASDCNBSA-N	317.389	1.897	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)OCC(=O)NNC(=O)c1ccccc1	796003428	UZQHFJMQUSAUFP-FZMZJTMJSA-N	322.361	1.052	50	20	DDGD	
CCS[C@@H]1CCC[C@@H]1NCC(=O)NNC(=O)C(C)(C)C	794604372	LRSYYGBOTZDFAB-WDEREUQCSA-N	301.456	1.444	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@@H]2CCN(C(C)C)C2)n1	792944373	CCENIBVGCDJKEN-ZDUSSCGKSA-N	319.409	1.064	50	20	DDGD	
COCCC1(C(=O)NNc2nncc(N)c2Cl)CCCC1	1319801333	VFDWVAUFFRESPD-UHFFFAOYSA-N	313.789	1.752	50	20	DDGD	
CN1CCN(c2ccc(C=NNC(=O)C3CC3)cc2F)CC1	1317910157	KJECTMKGPQSCLK-UHFFFAOYSA-N	304.369	1.438	50	20	DDGD	
O=C(NNC(=O)C1CCC1)NC1CCC2(CCOCC2)CC1	1319159226	BVGLOHAEQCNOSS-UHFFFAOYSA-N	309.410	1.856	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccc(C(C)=O)c2)cc1	1319373608	VZAUDKIXUKZWBD-UHFFFAOYSA-N	312.325	1.973	50	20	DDGD	
C[C@@H]1SCC[C@@H]1NC(=O)NNc1nncc(N)c1Cl	1328161440	QTLRKPJPKHLHTI-FSPLSTOPSA-N	302.791	1.232	50	20	DDGD	
Cn1ccc(NNC(=O)C[C@@H](n2cccn2)C(F)(F)F)n1	1328989789	MSXMWMOABUKXGD-MRVPVSSYSA-N	302.260	1.253	50	20	DDGD	
COc1ccc(C[C@H](C)N(C)CC(=O)NNC(=O)C(C)C)cc1	1327983444	RWNKIAWPRAFYCS-ZDUSSCGKSA-N	321.421	1.361	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CC[C@H]([C@@H]3CCOC3)C2)c1	1328803575	FYFINXLXEUBTBR-NWDGAFQWSA-N	323.418	1.769	50	20	DDGD	
Cc1ncncc1C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	1325262993	TXONMFXWIQXTBU-UHFFFAOYSA-N	314.349	1.318	50	20	DDGD	
Cc1nn(C)cc1CCC(=O)NNc1nc2ccccc2n1C	1327661357	HNGATPJAYMBGIX-UHFFFAOYSA-N	312.377	1.691	50	20	DDGD	
O=C(NNc1cccc(C(F)(F)F)n1)C(=O)Nc1ccon1	1338707070	BCHWVKYTCHQNLK-UHFFFAOYSA-N	315.211	1.170	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1Cl)N1CC[C@H](B(O)O)C1	585071141	NHQOBTGJQFFBBV-VIFPVBQESA-N	301.966	1.611	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2ccccc2CO)cc1	1338502425	YVHVVHQQEMEINL-UHFFFAOYSA-N	314.341	1.191	50	20	DDGD	
CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)CCl	1336909799	FQBVEHKRGCGAQR-LBPRGKRZSA-N	304.818	1.491	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=Cc1cc(Cl)c2c(c1)OCO2	1330236915	UPXHKJVHNZRAMS-UHFFFAOYSA-O	318.740	1.507	50	20	DDGD	
Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)CCl)CC1	1341509929	SHRHYTDJPJPOHS-ZDUSSCGKSA-N	324.808	1.672	50	20	DDGD	
Cc1cc(=NNC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc[nH]1	1348483090	WOOCQMAZDUCTCM-QJRTVWDNSA-N	301.390	1.586	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@H](C)[C@H]2CCC(=O)N2)o1	1348135440	WPORTBHHBRARBT-RKDXNWHRSA-N	305.338	1.027	50	20	DDGD	
CC[C@H](NC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br)C1CC1	1351191893	RTWUSXYSIUXDCW-OPQQBVKSSA-N	317.227	1.581	50	20	DDGD	
O=C(O)[C@H]1C[C@H](NS(=O)(=O)c2ccc(CCl)cc2)C1	1602221791	JIOSVVVNBZBSKV-MGCOHNPYSA-N	303.767	1.567	50	20	DDGD	
CC(C)(C)[C@@H](C(=O)O)C(=O)NNc1cnnc2ccccc12	1602853261	PLEWKUJDUGKOID-GFCCVEGCSA-N	302.334	1.820	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2ccnc3ccnn23)cc1	1602128368	IXWGCFMDIHRNNG-UHFFFAOYSA-N	311.301	1.113	50	20	DDGD	
Cc1cc(NNC(=O)c2csc(-c3nn[nH]n3)c2)nc(C)n1	1605739118	CPSJKTCUGYSVTB-UHFFFAOYSA-N	316.350	1.092	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)c2cccn(CC(=O)O)c2=O)c1	1605254454	HCVHQLNSCHHWBE-UHFFFAOYSA-N	315.329	1.307	50	20	DDGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1C[C@@H](C(=O)O)C[C@@H](O)C1	1601063404	REQRTSFZFDDLND-RHAJUZRSSA-N	317.301	1.227	50	20	DDGD	
CC1=C(C(=O)NNc2cccc(-c3nn[nH]n3)c2)SCCO1	1603825418	MLKHKAUPZUGAIJ-UHFFFAOYSA-N	318.362	1.305	50	20	DDGD	
O=C(O)c1ccnc(C(=O)NNc2cc(F)cc(F)c2F)c1	1602482369	VXKXWQBJJRZXQO-UHFFFAOYSA-N	311.219	1.954	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1605027611	BCZQJIMRYYNDMR-NWDGAFQWSA-N	302.338	1.125	50	20	DDGD	
N#Cc1cccc(NC(=O)NNc2ccc(-c3nn[nH]n3)cc2)n1	1606382066	VNINAVTWYWKEAR-UHFFFAOYSA-N	321.304	1.282	50	20	DDGD	
Cc1nc2c(C(=O)NNc3ccccc3C(=O)O)ccnc2[nH]1	1600720559	JNTPOUAVZPHFLR-UHFFFAOYSA-N	311.301	1.721	50	20	DDGD	
Cc1cc(/C=C(\C#N)C(=O)NCC(C)C)ccc1-c1nn[nH]n1	1609399634	IXWIVFADOANSBE-NTUHNPAUSA-N	310.361	1.854	50	20	DDGD	
CC(C)(CC(=O)O)CC(=O)NNc1cc(O)nc2ncccc12	1603583550	QCQKBXXJPXXRFI-UHFFFAOYSA-N	318.333	1.670	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2(C(=O)O)CC2)c2ccccc2n1	1610436784	OCELZYCFMONTFN-UHFFFAOYSA-N	313.313	1.169	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1ccc(F)c(F)c1	1549312720	CMZVYERMWXFNMT-SWLSCSKDSA-N	323.343	1.668	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@@H]2C=NNC(=O)c2cccn2C)cn1	1552453994	RBYYACDSRNRTAT-IUODEOHRSA-N	315.377	1.642	50	20	DDGD	
C[C@]1(N)CCCC[C@H]1C(=O)NNc1cc(O)nc2ncccc12	1576531133	QIKRLAOZELALJG-ZBEGNZNMSA-N	315.377	1.686	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCC(C)(C)CN2)cn1	1579959212	OXWKZPUHNBYFAM-XMRSSTEGSA-N	301.394	1.221	50	20	DDGD	
Cc1cc(Br)cnc1NNC(=O)[C@H]1CSCN1	1579552599	GUZGWBOEMQYMRR-MRVPVSSYSA-N	317.212	1.258	50	20	DDGD	
N#CC1=CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1	1649747300	QVCXZYTYAMCCSA-HNNXBMFYSA-N	320.352	1.593	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H]2C[C@@]23CCNC3)cc1C	1573793864	QTYVJFCWXVUWGJ-WMLDXEAASA-N	317.389	1.614	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)c1cn([C@H]2CCCNC2)nn1	1580740110	WNZUPCWONREBIO-JTQLQIEISA-N	321.772	1.008	50	20	DDGD	
C=CC[C@H](CC)NC(=O)NNc1cccc(-c2nn[nH]n2)c1	1588540747	FCDOYXXEALWTPA-NSHDSACASA-N	301.354	1.848	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1ccn(C)n1)C2	1845164138	NMCPUAAAZVCTRO-LLVKDONJSA-N	324.812	1.255	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)c1coc(-c2nn[nH]n2)c1	1593163660	BWCYNFCUDUWISP-UHFFFAOYSA-N	305.685	1.265	50	20	DDGD	
Cc1cccc(NNC(=O)c2cc(C)c(-c3nn[nH]n3)c(C)c2)n1	1592235204	HOUKDJKSWGLWQY-UHFFFAOYSA-N	323.360	1.944	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2CC[C@H]2C(=O)O)ccc1F	1593882726	TYYSREQKRHQSJT-RKDXNWHRSA-N	310.281	1.166	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)c1ccnc(-c2nn[nH]n2)c1	1590894374	BCLCFRFREHFFNO-UHFFFAOYSA-N	323.360	1.889	50	20	DDGD	
O=C(NN=Cc1cccc(C(=O)O)c1Cl)c1ccc(CO)o1	1776097001	BWJGBMHLBVWIRU-UHFFFAOYSA-N	322.704	1.887	50	20	DDGD	
O=C(C[n+]1ccccc1)NN/C=C1/N=Nc2cc(C(=O)O)ccc21	1776058125	IFPAXFJFUQDOQV-UHFFFAOYSA-O	324.320	1.389	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)cc1O	1776091049	PSWMZURIBIYPHZ-SUZMYJTESA-N	304.302	1.108	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@H]1CCCO1	15902211	MNDYROFBNDKBNL-DLUQRMLASA-N	306.406	1.919	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1cccnc1	158235559	NYSASJOEFUSTKN-NEPJUHHUSA-N	317.295	1.925	50	20	DDGD	
O=C(NNc1ncccn1)Nc1ccc(Cn2cccn2)cc1	158586071	PIDYALITPDXKNN-UHFFFAOYSA-N	309.333	1.870	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(Cl)c(C)c2)n1	164326411	RUPFOCGGWLOMST-UHFFFAOYSA-N	320.780	1.923	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)C1(O)Cc2ccccc2C1	151207868	GFOGYIIRTJCKAM-UHFFFAOYSA-N	313.313	1.568	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCC1(C2CC2)CCC1	155452050	TUAPSLAXWVSCNV-UHFFFAOYSA-N	302.378	1.535	50	20	DDGD	
Cc1ccc2cccc(C(=O)NNc3ccc(C(N)=O)nn3)c2n1	154296780	HBRYVKWVBKXXIJ-UHFFFAOYSA-N	322.328	1.189	50	20	DDGD	
Cc1[nH]c2ccnn2c(=O)c1CC(=O)NNc1cccc(F)c1	154946266	XUOYJMWQGKDKGX-UHFFFAOYSA-N	315.308	1.156	50	20	DDGD	
C[C@]1(C(=O)NN2C(=O)c3ccccc3C2=O)C[C@@H]1Br	907382224	FCINGVMPUPIOGB-ZANVPECISA-N	323.146	1.487	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@@H](NS(=O)(=O)CCl)C1	830523916	BUTFMJOENXAYJN-SECBINFHSA-N	312.819	1.502	50	20	DDGD	
C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)CCl	848507671	SNKWQXGLYXDDPV-RNFRBKRXSA-N	322.736	1.044	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCOC1)c1cccc(C(F)(F)F)c1	105965265	NGIBLBHUXQCTPX-VIFPVBQESA-N	302.252	1.503	50	20	DDGD	
CC(C)[C@@H](NS(=O)(=O)c1ccc(CCCl)cc1)C(N)=O	223941962	BBPWZPXFRADYHW-GFCCVEGCSA-N	318.826	1.256	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccc2ncccc2c1	103422828	WTPAYVAUKFWQBC-UHFFFAOYSA-N	306.325	1.634	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1ccc(Cl)cc1Cl	106417805	CWNAMADKNPHHSQ-UHFFFAOYSA-N	313.144	1.720	50	20	DDGD	
CN1CCO[C@@H](C(=O)NN=C(c2ccccc2)c2ccccc2)C1	174529465	CJQCPXNJEFRKQW-QGZVFWFLSA-N	323.396	1.886	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(Br)cn1	171220016	SWUJCIHOHYYLOI-UHFFFAOYSA-N	315.196	1.139	50	20	DDGD	
CN(C(=O)C1CC1)c1ccccc1C(=O)NNc1cnccn1	174338267	LRAVEDXCHVIHOU-UHFFFAOYSA-N	311.345	1.606	50	20	DDGD	
CCC(=O)N1CCC(=NNC(=O)COc2cccc(C)c2)CC1	64306157	DELNUMXGUSBRPS-UHFFFAOYSA-N	317.389	1.878	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)CC(C)(C)C)cc1OC	60792780	WDOFNKPFOXBRGX-UHFFFAOYSA-N	308.378	1.830	50	20	DDGD	
CC(=O)CCc1ccc(O[C@@H](C)C(=O)NNC(=O)C2CC2)cc1	68785176	FNOMVYRDZYFPRS-LBPRGKRZSA-N	318.373	1.533	50	20	DDGD	
CN(C)C(=O)C1(CNC(=O)NNc2ccccn2)CCCC1	113412040	MDEGIBQIYUZHJA-UHFFFAOYSA-N	305.382	1.356	50	20	DDGD	
O=C(CCOc1ccccc1F)NNC(=O)NCC(F)(F)F	60411674	RVSWNFGVSRTYBK-UHFFFAOYSA-N	323.246	1.487	50	20	DDGD	
NC(=O)NCCCCC(=O)NNc1ccc(OC(F)F)cc1	179039219	PXTKAKWCBYTFBF-UHFFFAOYSA-N	316.308	1.570	50	20	DDGD	
CCCC[C@H](CCC)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	175985634	QKRSXLPBVYHCAU-JSGCOSHPSA-N	319.471	1.726	50	20	DDGD	
C[C@@H](Cc1ccccc1)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	112001764	ALFQYYWWMYSOMH-DZGCQCFKSA-N	324.446	1.358	50	20	DDGD	
C[C@H](Cc1cccc(F)c1)C(=O)NNC(=O)Cc1cccnc1	171510623	VLZZNJPHZCKVNB-GFCCVEGCSA-N	315.348	1.789	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc(OCC2CC2)cc1	65191573	NXGMTBXKZOAYGA-UHFFFAOYSA-N	303.362	1.829	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCC[C@H](N(C)C)C2)s1	176617660	YCHSOQFVEYJAEP-NEPJUHHUSA-N	324.450	1.873	50	20	DDGD	
COc1cccc([C@@H](C)CC(=O)NNC(=O)c2ccc[nH]2)c1	177566852	RLYTYYOFOKABRU-NSHDSACASA-N	301.346	1.978	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc(-c2n[nH]c(C)n2)c1	184851585	AFWAUBYEQQTVMR-VIFPVBQESA-N	316.365	1.979	50	20	DDGD	
CCc1cccc(C)c1NC(=O)C(=O)NNC(=O)C(C)(C)C	184495411	MEZCCZJAGUWKQY-UHFFFAOYSA-N	305.378	1.689	50	20	DDGD	
N#CC(C#N)=CNNc1ccc(S(=O)(=O)C(F)(F)F)cc1	73519950	ASDBBUOFANWJFV-UHFFFAOYSA-N	316.264	1.828	50	20	DDGD	
COc1ccc(NNC(=O)Nc2cccc([S@@](C)=O)c2)nc1	122026342	BKKJQQIBWXRBKV-QFIPXVFZSA-N	320.374	1.976	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCCCC(=O)NC1CC1	185166796	IXNSACDJFHBERF-UHFFFAOYSA-N	308.357	1.819	50	20	DDGD	
O=C(CCc1ccc(F)cc1F)NNC(=O)c1ccncc1	129655818	GMLXWCAFVAIQDJ-UHFFFAOYSA-N	305.284	1.754	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)Nc1nc2ccccn2n1	184434288	YBUSYYNNGHHGKC-UHFFFAOYSA-N	324.344	1.515	50	20	DDGD	
COCC(=O)NNC(=O)Cc1nc(-c2ccccc2)cs1	73419226	CXRPKYPQNGTUDQ-UHFFFAOYSA-N	305.359	1.146	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCC[C@H](c2ncc[nH]2)C1	372449243	YKQBKRPJZGSDHO-NSHDSACASA-N	305.831	1.938	50	20	DDGD	
CC/C=C(\C)C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1	180289846	BRWFBHVFQFRTDJ-ONNFQVAWSA-N	323.780	1.460	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2cn3ccccc3n2)c(O)c1	130082046	LAQGARFESUHWBS-UHFFFAOYSA-N	324.340	1.352	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cc2ccccc2cc1O	81039953	MYVUQZTUZAVZCI-UHFFFAOYSA-N	321.336	1.944	50	20	DDGD	
O=C(NNC(=O)c1[nH]nc2c1CCCC2)NC1CCCCC1	192725534	LNZLQERBELLPIF-UHFFFAOYSA-N	305.382	1.565	50	20	DDGD	
CC(C)(C)n1ncc2c(O)nc(NNC(=O)CC3CCC3)nc21	80206101	QOAWWLPRKBLDLC-UHFFFAOYSA-N	318.381	1.920	50	20	DDGD	
Cn1c(NNC(=O)C#Cc2ccccc2)nc2ccccc2c1=O	81726689	ZCKZJXJCMBFGCR-UHFFFAOYSA-N	318.336	1.428	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2ccc(F)cc2C)n1	194054057	HFLMKZNECIYQJL-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN(C)CC1CCCC1	136888770	KMQVSMNSPRIISE-UHFFFAOYSA-N	317.433	1.807	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCNC(=O)C2)c1C	43678551	YIWBWLIZRPCTPN-OQLLNIDSSA-N	314.389	1.380	50	20	DDGD	
CCOCCOCCN(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	194893117	RJWRYSZOWRTTPO-QINSGFPZSA-N	318.373	1.811	50	20	DDGD	
O=C(NNC(=O)c1ccc2[nH]nnc2c1)NC1CCCCC1	193026312	VRUAJVAUFCNCMS-UHFFFAOYSA-N	302.338	1.235	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCc2ccccc2F)o1	84140261	CXGBXSOYRLVTBJ-UHFFFAOYSA-N	305.309	1.914	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ncccc1C(F)(F)F	92442117	ODJJCEGAIAQZSS-UHFFFAOYSA-N	324.262	1.499	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@H]2CSCCS2)c1	93296462	VWHBOXUUVDCUQP-MRVPVSSYSA-N	314.823	1.898	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2	249005933	JAGQCHPWPCSFDI-AVGNSLFASA-N	312.373	1.840	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1	249107929	KUKQXUJLBLHROH-HUBLWGQQSA-N	317.389	1.691	50	20	DDGD	
CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)NNc2ccccn2)C1	246626250	MQOYGJZCNHEAQL-IDFMNXDXSA-N	310.423	1.788	50	20	DDGD	
CCCC1(CNC(=O)NNc2nc(O)c3cnn(C)c3n2)CC1	269292224	QBAWCDBZIBRSIV-UHFFFAOYSA-N	319.369	1.275	50	20	DDGD	
O=C(CCCNc1ccc([N+](=O)[O-])cc1)NNC(=O)C1CCC1	264677254	IIMWIOIODJRHGM-UHFFFAOYSA-N	320.349	1.734	50	20	DDGD	
C[C@@H]1CCCCN1CCCCNC(=O)NNc1cccnn1	265479545	PJVWEXQVLWIQST-CYBMUJFWSA-N	306.414	1.757	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@@H]2CCCS2)cc1	266597504	OYDMNXISVZAAJF-LBPRGKRZSA-N	309.391	1.150	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNC(=O)c1cc2ccccc2o1	267253139	DQQZJWFZPXQIGZ-UHFFFAOYSA-N	319.317	1.328	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cnn(C[C@@H]2CCCO2)c1	368319582	SNRSMDDKSXCJKI-PWSUYJOCSA-N	309.370	1.261	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NNc2cccc3cnccc23)C1	278467857	SWCLCRSEHIGZEB-GFCCVEGCSA-N	312.373	1.936	50	20	DDGD	
Cn1cnnc1[C@H]1CCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	279830698	KRNZKDXIJAVBBL-UZGISAJGSA-N	323.356	1.791	50	20	DDGD	
COCCOc1cccc(/C=C/C(=O)NNC(=O)N(C)C)c1	275458968	UVZVOMDKZWRGAE-BQYQJAHWSA-N	307.350	1.027	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2nc(-c3ccncc3)no2)CCO1	271895753	VCKXAXULSGWUED-MWLCHTKSSA-N	303.322	1.390	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2n[nH]cc2C1)c1c[nH]c2ccccc12	362118517	OCTFNSXPNGTKGU-SNVBAGLBSA-N	323.356	1.457	50	20	DDGD	
O=C(NNc1nccnc1Cl)[C@H]1CCN(CC(F)(F)F)C1	279821320	APHDQUWANCQKTM-ZETCQYMHSA-N	323.706	1.457	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@]2(C)CCO[C@@H]2C2CC2)nc1	363988939	YWPWFEOKQDWLRK-ZBFHGGJFSA-N	320.393	1.922	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2CCC2)c(Br)n1	270015887	CASOWCAUAWQBMO-UHFFFAOYSA-N	312.167	1.714	50	20	DDGD	
Cc1c(C(=O)NNc2ncccn2)nnn1CC1CCCC1	279044077	QQLUAPICAZDIDC-UHFFFAOYSA-N	301.354	1.324	50	20	DDGD	
CC(=O)CC(C)(C)CC(=O)NNC(=O)COc1ccc(F)cc1	276314592	MXXRTAQDTLTMFI-UHFFFAOYSA-N	324.352	1.747	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C/c1cccc(OCCC(=O)O)c1	276386478	ZTNBZEVXMSCZQZ-UKTHLTGXSA-N	309.343	1.839	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@](C)(O)CCc1ccccc1	282984551	WFXUJSAZZTYHPR-HNNXBMFYSA-N	307.419	1.052	50	20	DDGD	
C[S@@](=O)C1(CNC(=O)NNc2ncccc2F)CCC1	287207535	NLWCRSONTZKORY-HXUWFJFHSA-N	300.359	1.148	50	20	DDGD	
O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCC(Cl)Cl	289182622	WAQJNXLGLMONLT-UHFFFAOYSA-N	322.192	1.161	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)[C@@H](C)CN1CCOCC1	281716688	IFLIBOKKLLUSAH-AWEZNQCLSA-N	305.422	1.969	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H]1CCCN1C1CC1	281170914	IVJQWXJRCWUPLY-CQSZACIVSA-N	302.378	1.775	50	20	DDGD	
COc1cccc(C(=O)CCCC(=O)NNc2cnccn2)c1	293519894	ONKHTDHFPFTGQJ-UHFFFAOYSA-N	314.345	1.982	50	20	DDGD	
Cn1nnc2c(C(=O)NNc3cc(F)c(F)cc3F)ccnc21	801177243	LVFPUSBSBFRZSZ-UHFFFAOYSA-N	322.250	1.538	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2)C1CC1	804156974	OBWHLQLUSXGOTM-FQWGAIOXSA-N	320.433	1.901	50	20	DDGD	
CCOc1ccc(/C=C/C(=O)NNC(=O)[C@@H]2CCCO2)cc1C	292086543	GFVODPRPXSIGJE-HEWZJLJBSA-N	318.373	1.733	50	20	DDGD	
C[S@](=O)Cc1ccc(CNC(=O)NNC(=O)C2CCC2)cc1	805867673	OPKMWHDHYYJYBQ-QFIPXVFZSA-N	323.418	1.196	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc([C@H]2CCOC2)cc1	296711055	AUGPFHQLXVSLCB-LBPRGKRZSA-N	306.366	1.888	50	20	DDGD	
C#CCN1CCC(C(=O)NNC(=O)c2ccc(CC)cc2)CC1	299164010	SKJOXFRWKCYDRU-UHFFFAOYSA-N	313.401	1.355	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@H]1CCCCO1)c1ccc(F)cc1	295657257	VPMITFYKWCOGBP-CYBMUJFWSA-N	308.353	1.820	50	20	DDGD	
CC/C=C/CNC(=O)NNC(=O)COc1ccc(OC)cc1	297997605	CWOVLOQEFTVVRU-SNAWJCMRSA-N	307.350	1.371	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C1CCC1)[C@H]1OCCc2sccc21	293276461	CNYQPDRVCDPAGR-TVQRCGJNSA-N	308.403	1.946	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNC(=O)CSc1ccccc1OC	291400618	IQBRKOQLEDEPDU-OAHLLOKOSA-N	324.402	1.262	50	20	DDGD	
Cc1nc2ccc(NC(=O)NNC(=O)CC(F)(F)F)cn2n1	809895949	AKVVGIUXPGZWPA-UHFFFAOYSA-N	316.243	1.143	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=Cc1ccc(N)nc1	807950297	QWGKWCURXVUJGA-UHFFFAOYSA-N	314.345	1.592	50	20	DDGD	
COCCN(CCO[Si](C)(C)C(C)(C)C)[C@@H](C)C(N)=O	808723640	ODWNCYJBUXCOGY-LBPRGKRZSA-N	304.507	1.830	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccccc2)c(=O)cc1C	806373409	VKNNJDMDUNNUSR-UHFFFAOYSA-N	301.346	1.560	50	20	DDGD	
O=C(CCCn1cccc1)NNc1ccc(-n2ccnc2)nn1	804952697	QNPXXPIWGSTIGX-UHFFFAOYSA-N	311.349	1.387	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1C1CC1)Nc1cc(F)cc(F)c1	802002941	GNEHHZUUAGIAQD-CYBMUJFWSA-N	324.331	1.744	50	20	DDGD	
CC(C)(CCNC(=O)NNc1ccc(Cl)nn1)C(=O)O	818623686	JYSVYYCUXVEOPR-UHFFFAOYSA-N	301.734	1.257	50	20	DDGD	
Cc1c(C(=O)NN(C)C2CC2)nnn1-c1cccc(Cl)c1	819646149	LEQQMASAOTVVEK-UHFFFAOYSA-N	305.769	1.968	50	20	DDGD	
CO[C@H]1CCC[C@H](C(=O)NNC(=O)c2ccc(C)cc2O)C1	814406571	CDWFCMGMDPAGIQ-RYUDHWBXSA-N	306.362	1.667	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C1CC[C@@H](C(=O)O)C(C)(C)[C@H]1C	814852297	RKUZJNDJAJUZDJ-KWQFWETISA-N	306.366	1.961	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)NOC/C=C\Cl	811851810	TVTAGJWEVMMTER-UTCJRWHESA-N	317.704	1.219	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1cc([N+](=O)[O-])ccc1N	814864393	CCJIRSYRMHLKRK-JTQLQIEISA-N	324.337	1.069	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccc(C#N)c(F)c1	810252235	AOIQHAYLOXJTTL-UHFFFAOYSA-N	302.269	1.645	50	20	DDGD	
COc1cc(C(=O)NN=C2COCCOC2)ccc1OC(C)C	814755286	APCJLJMFDXYXLL-UHFFFAOYSA-N	322.361	1.615	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(C2CC2)c1	814781665	NRFYCUNWKYOQMZ-HNNXBMFYSA-N	320.414	1.839	50	20	DDGD	
COC(=O)[C@@H]1CCCC(=NNC(=O)COc2ccccc2O)C1	814952731	MFQUCRYCZRGVLL-LLVKDONJSA-N	320.345	1.606	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)/C=C\c1ccsc1	726075481	HMBLSTKGTBWOFV-PLNGDYQASA-N	313.448	1.635	50	20	DDGD	
COc1ccc(COCCC(=O)NNC(=O)CC2CC2)cc1	819123384	XNBQZQMYRNVJQE-UHFFFAOYSA-N	306.362	1.549	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)CCCCN(C)C)c1	729286096	DHLFTUUCPOABGQ-UHFFFAOYSA-N	321.421	1.562	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(F)cc1)[C@@H](C)N1CCOCC1	729623024	FAWGVOKQRZJCML-NWDGAFQWSA-N	310.373	1.561	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C\c2ccccc2-c2nn[nH]n2)n1	826363368	JIEBRNQNPMWEJH-FLIBITNWSA-N	320.316	1.146	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)/C=C/[C@@H]2CCOC2)cc1	493078194	DJXBQFSHJUPEQS-WXJAXGNASA-N	320.414	1.827	50	20	DDGD	
COC(=O)C(C)(C)n1cc(NC(=O)NNc2ccccn2)cn1	825597825	UKVMJMZKCMKEFD-UHFFFAOYSA-N	318.337	1.335	50	20	DDGD	
C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CC=C(C#N)CC1	824745696	SRSTYYFTIRXZEZ-LLVKDONJSA-N	324.344	1.316	50	20	DDGD	
COc1ccccc1OCCCNC(=O)NNc1ncccn1	729614549	KDGSAJCBNUWKDF-UHFFFAOYSA-N	317.349	1.580	50	20	DDGD	
CN1CCC[C@@H](CCNC(=O)NNC(=O)OC(C)(C)C)C1	496849674	UEUAMZXRJUGYPX-NSHDSACASA-N	300.403	1.457	50	20	DDGD	
O=C(Cc1ccco1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	826423904	MFVIECOJEMAAES-UHFFFAOYSA-N	319.712	1.194	50	20	DDGD	
C=CCN(CC(=O)NNC(=O)C(C)C)Cc1ccccc1F	827477444	DHSBBJAONHAXNC-UHFFFAOYSA-N	307.369	1.617	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NN=Cc1ccncc1F	495968298	HRPHOKUSAMSIRO-UHFFFAOYSA-N	310.329	1.586	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc3ncccc23)CO1	827611925	HTTIBNHBVAQEQR-QWRGUYRKSA-N	314.345	1.356	50	20	DDGD	
COC(=O)C1(CNC(=O)/C(C#N)=C\c2cnn(C)c2)CCCC1	826741014	QUMZNWURYZXMML-QPEQYQDCSA-N	316.361	1.177	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Cc1ccc(-n2cnnc2)cc1	496156956	VCBBIDTUKYFVRI-UHFFFAOYSA-N	317.349	1.366	50	20	DDGD	
N#CCc1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1	826381842	BAQKNCIQUSCULH-UHFFFAOYSA-N	319.328	1.690	50	20	DDGD	
CC(C)n1cc(CNC(=O)/C(C#N)=C/c2ccc(O)cc2)nn1	491050613	QAGIRSJWZUKRKU-NTUHNPAUSA-N	311.345	1.788	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCC(C)(C)CCO)cc(C#N)n1C	490754446	PKIXDOGYNKEQNO-VGOFMYFVSA-N	314.389	1.637	50	20	DDGD	
CCC1(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)CCC1	825164697	GTDWBUYFJLNFCG-UHFFFAOYSA-N	321.772	1.939	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCC1	496937229	IMJAHOKUXYXWIY-SNVBAGLBSA-N	315.370	1.409	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNC(=O)c1c(C)nc2ccccn12	491714293	MDGRDEWFTZAFKR-GFCCVEGCSA-N	313.361	1.389	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)COc1ccc(Cl)cc1Cl	823993032	IYHZSQTXIGWJHS-QMMMGPOBSA-N	307.177	1.716	50	20	DDGD	
C[C@H]1CCC[C@@H](N2CCC(=NNC(=O)C(=O)NC3CC3)CC2)C1	733744827	SJHPJPKZTNYIGZ-SWLSCSKDSA-N	320.437	1.412	50	20	DDGD	
C[C@]1(C(=O)N2CCN(C3CCC3)CC2)C[C@@H]1Br	906685692	NBJNLIXRUKFBKH-AAEUAGOBSA-N	301.228	1.857	50	20	DDGD	
COc1ccc(C=NNC(=O)c2ccnc(N(C)C)c2)c(O)c1	731562029	JBHASXKKYATDHF-UHFFFAOYSA-N	314.345	1.626	50	20	DDGD	
Cc1ccc(C)c(C2=NO[C@@H](C(=O)NNc3cnccn3)C2)c1	907478495	YJCYPUYGOSQMCL-CQSZACIVSA-N	311.345	1.730	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1cnnc2ccccc12	733812120	RCAIRDKQHILUEC-NSHDSACASA-N	304.350	1.515	50	20	DDGD	
COC[C@H]1CCCCN1CC(=O)NNC(=O)c1cccs1	832611309	PWWGIXGJYBTZSK-LLVKDONJSA-N	311.407	1.010	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1nc(Cl)ccc1F	833246584	NFRZOBWURNHDNK-MRVPVSSYSA-N	301.705	1.204	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2ccc3ccccc3c2)CCO1	836225944	WBENLYZDHYMARW-LBPRGKRZSA-N	313.357	1.915	50	20	DDGD	
CC(C)(CNCc1ccc(B(O)O)o1)c1ccccc1Cl	585020104	NPZRYRRVFJQUGT-UHFFFAOYSA-N	307.586	1.680	50	20	DDGD	
O=C(COc1ccc([N+](=O)[O-])c(F)c1)NNc1cnccn1	734245569	QRIUWSBSVRIUDT-UHFFFAOYSA-N	307.241	1.046	50	20	DDGD	
N#Cc1cc(F)c(C(=O)NNC(=O)[C@@H]2CCCCO2)c(F)c1	833246509	LOOZHKPEFNXMER-NSHDSACASA-N	309.272	1.167	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cn1	733938598	XOTSMPOSPJNMLO-UHFFFAOYSA-N	324.344	1.164	50	20	DDGD	
C[C@]1(C(=O)N2CCC(c3nc[nH]n3)CC2)C[C@H]1Br	906937913	NBVKNRTUBIEVSM-SKDRFNHKSA-N	313.199	1.684	50	20	DDGD	
CC[C@@H](OC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)OC(C)(C)C	837971382	MYPJUFMXXNYTST-FFXRNRBCSA-N	319.361	1.991	50	20	DDGD	
COc1cccc(CCC(=O)NNc2cccnn2)c1OC	736702009	QZKRIAHVCFIZSS-UHFFFAOYSA-N	302.334	1.570	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ccc(Br)nc1	732837509	JCWQLMOZZAGIMG-JGVFFNPUSA-N	314.139	1.096	50	20	DDGD	
O=S(=O)(CCl)NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1	831196300	UVUOSBUPJWRXLA-HTQZYQBOSA-N	309.737	1.586	50	20	DDGD	
CCCCNC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1cnn(C)c1	837970103	XVFFOWQWDYPODO-NUBYWOLOSA-N	304.350	1.175	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	910167489	GPGNRTCEJZGVOM-DZGCQCFKSA-N	323.412	1.382	50	20	DDGD	
OB(O)c1cccc(CNc2ccc(O[C@@H]3CCOC3)cc2)c1	585011882	GKIPOHHOXWBEGC-QGZVFWFLSA-N	313.162	1.146	50	20	DDGD	
O=C(NNc1cccc(Cl)c1)c1ccc(-c2nn[nH]n2)cn1	738137067	MHZVZERTFRVITP-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNC(=O)[C@@H]2CCCCO2)cn1	833235701	JVTNIJRNJVZJGW-NSHDSACASA-N	306.366	1.104	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cn2ccnc12	831834176	BJVBYMAYMMJAIT-ZYHUDNBSSA-N	317.349	1.220	50	20	DDGD	
CNC(=O)NNC(=O)c1ccccc1OCc1cscn1	919879489	HPLLKXLXHBPROO-UHFFFAOYSA-N	306.347	1.296	50	20	DDGD	
CCOc1ccc(CCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	843650056	ZDUMNKRSMUTFNM-IUODEOHRSA-N	320.389	1.590	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=C1C(=O)Nc2cccc(Cl)c21	842555594	MDCBBBWVEUWWQR-HTQZYQBOSA-N	307.737	1.537	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)c2ccccc2F)o1	916507649	XCDULBVYTBOTIA-UHFFFAOYSA-N	305.309	1.914	50	20	DDGD	
Cc1ccc(C)c2c1NC(=O)C2=NNC(=O)N1CCOCC1	745591209	UBBYOENOLRLFME-UHFFFAOYSA-N	302.334	1.001	50	20	DDGD	
C[C@@]1(C(=O)N2CCN3CC(F)(F)C[C@H]3C2)C[C@H]1Br	911431029	ZRAHWDRYCJOUND-IQJOONFLSA-N	323.181	1.712	50	20	DDGD	
CCc1ccccc1NC(=S)NNC(=O)C(=O)N1CCCC1	748151711	LHHGHRSASWOXLW-UHFFFAOYSA-N	320.418	1.189	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1CC(=O)NNc1cc(O)nc2ncccc12	913992903	LGGFOFGTIXRVOO-PHIMTYICSA-N	315.377	1.651	50	20	DDGD	
O=C(NC[C@@H]1CC1(Cl)Cl)NNc1cncc(Cl)n1	915907809	GQVRSFDNOZQKTM-YFKPBYRVSA-N	310.572	1.950	50	20	DDGD	
CC(C)[C@H]1CC[C@@H](C)CC1=NNC(=O)Cc1cc(O)nc(O)n1	743445983	LSOZRIRQWZTYDB-ZYHUDNBSSA-N	320.393	1.995	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCc1cc(F)ccc1F	843649923	YUBQFVQBSUBQLP-BXKDBHETSA-N	312.316	1.470	50	20	DDGD	
CC(C)[C@H](N)CNC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	841944473	IWQKGGBVKHMTKV-CYBMUJFWSA-N	322.413	1.072	50	20	DDGD	
C[C@@H](N)[C@@H](C)NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	842001661	ATWBLZWIZOVZBU-FNGFBZSUSA-N	308.426	1.269	50	20	DDGD	
CCc1cc(Br)ccc1NNC(=O)NCCNC	841936807	PZVFGMQCNCUDHS-UHFFFAOYSA-N	315.215	1.857	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)Cc1cc(C)[nH]n1)CCO2	912809170	QFGRGQHOCHKCBE-UHFFFAOYSA-N	314.345	1.572	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H](C)C1(OC)CCC1	840454901	VGMUOWFWCBNQDH-NSHDSACASA-N	321.377	1.597	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)Cc2ccncc2)cc1	747672569	NQAILELSYNBIAT-UHFFFAOYSA-N	316.386	1.651	50	20	DDGD	
CCN(Cc1ccc(C(=O)NN(C)C[C@@H](C)O)cc1)C(C)C	910166237	UBENVAZOTRBMPJ-CQSZACIVSA-N	307.438	1.874	50	20	DDGD	
O=C(O)[C@@H]1C[C@@H]1CNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	910593149	LAHWXRQSFCPRRM-XGJGVMOOSA-N	316.195	1.777	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)Cc2ccncc2)c1	747325242	XDCSLLDHBQIPBR-UHFFFAOYSA-N	315.329	1.103	50	20	DDGD	
C[C@H](Oc1cccc(F)c1)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843646447	VTLAQPIWHDNXJD-KWBADKCTSA-N	310.325	1.165	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CC2CCCC2)c(C(F)(F)F)n1	749940722	HQQLOYPLVUQRJO-UHFFFAOYSA-N	318.299	1.780	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CN2[C@@H](C)CC[C@@H]2C)cc1	746096521	JJFKTIWRDNORCI-KBPBESRZSA-N	319.405	1.394	50	20	DDGD	
CCc1ncncc1C(=O)NNc1ccccc1S(C)(=O)=O	743366757	ABMSSIXVQKRGFK-UHFFFAOYSA-N	320.374	1.199	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cccc(COCC2CC2)c1	756230789	YXTISRIGSCXEDF-UHFFFAOYSA-N	321.377	1.802	50	20	DDGD	
O=C(NN=Cc1ccc2cnccc2c1)[C@@H]1CN2CCC[C@@H]2CO1	853389862	BTXWLJOQJIPVPL-SJORKVTESA-N	324.384	1.548	50	20	DDGD	
Cc1nnc2n1C[C@H](C(=O)NNc1ccnc(Cl)c1)CC2	855465018	DIWLGSZTJOFXQG-SECBINFHSA-N	306.757	1.341	50	20	DDGD	
CCCNC(=O)NN=Cc1ccc(N(CC)CCO)cc1C	920989724	RDPWMJBIZANITC-UHFFFAOYSA-N	306.410	1.857	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cnccn2)cc1F	755925238	XNINOOOFZRAIJY-UHFFFAOYSA-N	305.269	1.091	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C[C@@H]2CCC(=O)N2)c1C	854185186	QMWBBEKYTJYXHZ-NSHDSACASA-N	320.418	1.290	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=C1CCCn2nccc21	853314735	TXYQADCALKOAIV-UHFFFAOYSA-N	308.345	1.388	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CNC(=O)CC2CCCC2)c1	759321093	DYOKQNICRPIFQL-UHFFFAOYSA-N	323.368	1.974	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H](C)CN2CCCCC2)c1	858276295	UUQQNEBIZXTKPM-GFCCVEGCSA-N	324.450	1.875	50	20	DDGD	
COc1ccc(O)c(C(=O)NNC(=S)N[C@H](C)C2CC2)c1	855102776	NETUHMVQPRUVSJ-MRVPVSSYSA-N	309.391	1.308	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C[C@@H]1CSCCS1	752269036	VIFLVGNQRKJKPJ-MRVPVSSYSA-N	307.510	1.519	50	20	DDGD	
CC(C)[C@H]1OCCC[C@@H]1CNC(=O)NNC(=O)C1CCCC1	753033418	CBGYQQIISWWJBC-ZIAGYGMSSA-N	311.426	1.958	50	20	DDGD	
CO[C@H]1CCN(C(=O)NNC(=O)c2cc(C)cs2)C[C@@H]1C	858706891	CTUSSIIEYLXAGI-QWRGUYRKSA-N	311.407	1.768	50	20	DDGD	
O=C(NNC(=O)N1CCOC[C@@H]1c1ccco1)C1CCCC1	753343963	LRBUOMNVPTYEHM-GFCCVEGCSA-N	307.350	1.584	50	20	DDGD	
CC1=NO[C@H](C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)C1	854217197	KMJHFJMCAZHOLL-JSGCOSHPSA-N	319.361	1.383	50	20	DDGD	
C=C[C@@H](CC)CC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	929381367	JDTOJXVOFMCNKX-LBPRGKRZSA-N	303.362	1.683	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(N2CCC(C)=N2)cc1	854925876	OMVKAPZJIYLWFP-UHFFFAOYSA-N	305.407	1.354	50	20	DDGD	
CCOCCn1cc(C(=O)NNc2cccc([N+](=O)[O-])c2)cn1	857160204	LBIPRCWKAIEMSG-UHFFFAOYSA-N	319.321	1.585	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cccc(N2CCCCC2=O)c1	755695436	WBNJUTIVTNOIJH-UHFFFAOYSA-N	320.349	1.003	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2cc(O)ccc2[N+](=O)[O-])n1	751133352	DZORRJHMTMQORN-UHFFFAOYSA-N	320.330	1.758	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2ccc(C(=O)OC)cn2)CCC1	759729804	MMXXVTBWRMWLTD-UHFFFAOYSA-N	321.333	1.045	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)C[C@H](C)O2	850064044	FAJYJDYTZBRJQB-VHSXEESVSA-N	320.345	1.113	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ncccc2C)c(C)c1	750234010	XPTZBAOYLZEDSM-UHFFFAOYSA-N	312.373	1.880	50	20	DDGD	
CC(=NNC(=O)[C@H]1COc2ccccc2O1)c1nccn1C	755484928	VISYHQRKEZJBAE-CYBMUJFWSA-N	300.318	1.100	50	20	DDGD	
CC(=O)N[C@H](CC(C)C)C(=O)NC[C@]1(C)C[C@H]1Br	862259150	ZCPMWJGQFFHGGW-WZRBSPASSA-N	319.243	1.827	50	20	DDGD	
O=C(NCCC[C@@H]1CC1(Cl)Cl)c1cccc(B(O)O)c1	863886944	RQYIUXBVJJGATN-SNVBAGLBSA-N	315.993	1.070	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)c2cc(Cl)sc2Cl)N1	862449271	DESHLIGLJJJUTA-YFKPBYRVSA-N	322.173	1.095	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1noc2c1CCCC2	934358160	SFBMKFQNKUMMMP-UHFFFAOYSA-N	306.244	1.659	50	20	DDGD	
CCCNC(=O)/C(C#N)=C/c1cc(C(=O)O)c(OC)cc1OC	863179481	JSODBJUQKKRJJD-IZZDOVSWSA-N	318.329	1.835	50	20	DDGD	
O=C(NN=Cc1sc(N2CCCC2)nc1Cl)c1cn[nH]c1	863154376	BTIGURYGEZEIDW-UHFFFAOYSA-N	324.797	1.884	50	20	DDGD	
Cc1sc(NC(=O)c2cc(B(O)O)ccc2F)nc1C(C)C	863887388	ZRZQPPCJUSQSII-UHFFFAOYSA-N	322.170	1.646	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNC(=O)[C@H](CC)c1ccccc1	865695842	QOYJRVMPUGFHFP-KGLIPLIRSA-N	305.378	1.242	50	20	DDGD	
COc1cc(OC)c(OC)cc1C=NNC(=O)c1cc[nH]n1	864049243	MBWLCSIISLNKDO-UHFFFAOYSA-N	304.306	1.199	50	20	DDGD	
CCCn1ccc2ccc(NC(=O)C(=O)NNC(=O)CC)cc21	763443302	HFJYNCYLIPOQKK-UHFFFAOYSA-N	316.361	1.547	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNCC(F)(F)C(F)(F)F	863096287	BSXRJIQAXLCBQF-UHFFFAOYSA-N	319.274	1.453	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@H](C)c1ccc[nH]1	760347133	DGAXWHYQAVMRON-LLVKDONJSA-N	316.361	1.657	50	20	DDGD	
O=C(Cc1csc2nccn12)NNc1ccccc1[N+](=O)[O-]	764453933	UZQGPJXPKCYBPZ-UHFFFAOYSA-N	317.330	1.990	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccn(C)c2)cc1C	763743617	VUCUUBIDVVJYSF-UHFFFAOYSA-N	314.345	1.042	50	20	DDGD	
N#CSCCCNC(=O)c1ccc(Cn2ccnn2)cc1	861551349	NDRHAZAYEAMOOT-UHFFFAOYSA-N	301.375	1.661	50	20	DDGD	
CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)c1cn[nH]c1	862473348	OJAGBTSGRHUSLB-LLVKDONJSA-N	316.361	1.763	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccccc1N1CCCC1	1115898666	GNOVJFQLWUMPSY-UHFFFAOYSA-N	304.394	1.956	50	20	DDGD	
C[C@H](CSCc1ccccc1)C(=O)NNC(=O)c1cn[nH]c1	862472616	OIKPIYCXOWJDFG-LLVKDONJSA-N	318.402	1.740	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNc2nc3ccccc3[nH]2)cc1	768499565	JASKOHJSGIZWGJ-UHFFFAOYSA-N	307.313	1.957	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccc(Cl)c2ncccc12	765373530	JPHPLXSCAKYGEU-UHFFFAOYSA-N	322.708	1.214	50	20	DDGD	
Cc1cn2ccnc(C(=O)NNc3nccnc3Cl)c2n1	762869916	FHUIMBMNOMAKBK-UHFFFAOYSA-N	303.713	1.238	50	20	DDGD	
Cc1cc(C)n(CCC(=O)NNc2ccc([N+](=O)[O-])cc2)n1	768247468	RWRKEGDXPJJUMQ-UHFFFAOYSA-N	303.322	1.942	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](CN1CCCC1)c1ccccc1	875073722	HZQBVSMQPLBIBV-CQSZACIVSA-N	320.393	1.736	50	20	DDGD	
CCc1cccnc1C(=O)NNC(=S)Nc1ccccn1	766565657	XJQYLLZHADKUSK-UHFFFAOYSA-N	301.375	1.670	50	20	DDGD	
CCCc1cnc(NC(=O)NNC(=O)C2CCOCC2)s1	879122543	UMIUUGDNIFSNCY-UHFFFAOYSA-N	312.395	1.675	50	20	DDGD	
CC(C)CCO[C@H](C)C(=O)NNC(=S)Nc1ccccn1	874956637	KBZSTVLWCXKZHM-LLVKDONJSA-N	310.423	1.850	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1F)[C@@H]1CCS(=O)(=O)C1	871272646	XQBPBUOIQAVFKL-SSDOTTSWSA-N	306.746	1.357	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(C(=O)OC(C)(C)C)cc1	770710719	KAPNDNDXWGWPDL-UHFFFAOYSA-N	307.350	1.606	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1c(F)cccc1F	771883189	HYVSFUOONFOOLW-SSDOTTSWSA-N	300.261	1.068	50	20	DDGD	
Cc1conc1NC(=O)NNC(=O)Cn1ccc2ccccc21	1116590343	QHRHOLFDLNPXQA-UHFFFAOYSA-N	313.317	1.791	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)C(=O)NC2CC2)cc1C	872338524	YNPSKJLZISBHQM-UHFFFAOYSA-N	303.362	1.513	50	20	DDGD	
CC[C@@H](CO)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	779775212	AYUUTWDDEDAOMF-QMMMGPOBSA-N	310.741	1.852	50	20	DDGD	
CC(C)n1ncc(C(=O)NNC(=O)c2ccccc2Cl)c1N	1116913333	GUFQGASCAJWJOG-UHFFFAOYSA-N	321.768	1.774	50	20	DDGD	
O=C(CO)NN=C1CCCOc2cc(Br)ccc21	776779572	OCFCOSFJSNFGEU-UHFFFAOYSA-N	313.151	1.434	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1ccc(Br)cc1C	778648794	DVQCRKFRDKCFAW-UHFFFAOYSA-N	314.183	1.650	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NNC(=O)C1CCOCC1	883068261	NHQCWXULGOGJFF-TZMCWYRMSA-N	312.410	1.546	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1scnc1Cl	770240641	QEGXKXMWANRAMM-UHFFFAOYSA-N	310.857	1.268	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@H](CC)OCC)nc1C	778422312	ZWTKPADYBLKNHB-NSHDSACASA-N	310.354	1.220	50	20	DDGD	
CON(C)C(=O)c1ccc(NC(=O)NNc2ncccn2)cc1	775614197	AKYNLCGCUIHFLY-UHFFFAOYSA-N	316.321	1.259	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CC(N2CCCC2=O)C1	888754171	DXAFHONARIQTLC-MDWZMJQESA-N	311.341	1.132	50	20	DDGD	
C[C@@H]1[C@@H](CNC(=O)NNC(=O)C2CCOCC2)CCC[C@H]1C	883620499	JCSNVLWVWQTJDW-MBNYWOFBSA-N	311.426	1.816	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1	883466069	FHKCQNRPYZWXGK-SDDRHHMPSA-N	303.366	1.389	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)Cc2cc(O)nc(S)n2)[C@H](C)C1	783822823	XQRNGOHVRXITPM-RKDXNWHRSA-N	308.407	1.942	50	20	DDGD	
COCCCNC(=O)NN=CC[C@H]1CCCCC12OCCO2	788714885	QDZMTIHQZPMDRW-CYBMUJFWSA-N	313.398	1.631	50	20	DDGD	
O=C(NNc1ncncc1Cl)N[C@@H]1CCN2CCCC[C@H]12	780988818	JDPBVHQREBDFRF-GHMZBOCLSA-N	310.789	1.383	50	20	DDGD	
COC(=O)NNC(=O)N[C@H](CCc1ccccc1)C(F)F	881020709	OZNFZSKUPPQUJK-SNVBAGLBSA-N	301.293	1.823	50	20	DDGD	
C[C@H](CCCC(F)(F)F)NC(=O)NNC(=O)c1cccnn1	883603077	JWFYYOCMOYMWTD-MRVPVSSYSA-N	319.287	1.542	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C	887140935	YLAOLNHEWLLIID-IAQYHMDHSA-N	302.330	1.166	50	20	DDGD	
O=C(Cc1ccc2c(c1)OCO2)NNc1ncncc1Cl	781804326	GVFUYGMDFJDJTH-UHFFFAOYSA-N	306.709	1.545	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2ccc[nH]2)cnn1C1CCCC1	789731562	CZSXGDUAGFZEBG-UHFFFAOYSA-N	315.377	1.964	50	20	DDGD	
CNC(=O)c1ccc(OC)c(NC(=O)NN=c2cc[nH]cc2)c1	782017478	POYALMRALXVLAT-UHFFFAOYSA-N	315.333	1.020	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cnn(C)c1C(F)(F)F	782103487	IAYXIENTSRFVNU-UHFFFAOYSA-N	307.276	1.638	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(-c2ccc(F)cc2)on1	780708982	AYBUKEPOANZNOB-UHFFFAOYSA-N	306.297	1.787	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCCOc1cccnc1	787368246	BKEHXBKITHLJKG-UVTDQMKNSA-N	309.325	1.889	50	20	DDGD	
CC(C)(C)N1C[C@@H](C(=O)NNc2ccc(C#N)cn2)CC1=O	899664422	VOACUSVSMPGJAH-NSHDSACASA-N	301.350	1.043	50	20	DDGD	
O=C(NN=C1CC[C@@H](C(=O)O)c2ccccc21)c1cnccn1	788974501	DQMKEBVURINHBH-GFCCVEGCSA-N	310.313	1.573	50	20	DDGD	
CC(C)N1CCC[C@H]1C(=O)NNC(=O)CCc1ccccc1O	894370102	QDODWDWPRBBXIR-AWEZNQCLSA-N	319.405	1.345	50	20	DDGD	
CS(=O)(=O)c1cccc(Cl)c1C=NNC(=O)C(F)F	782235388	CFKPFFLLDDZSHL-UHFFFAOYSA-N	310.709	1.459	50	20	DDGD	
CCCCS(=O)(=O)/C(C#N)=C\c1cccc(C(=O)OC)n1	899369435	XTBGDNZWIZLNOR-XFXZXTDPSA-N	308.359	1.948	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@H](C)[C@@H](O)CC)cc1OC	899958535	VMAYFUMGRJRANT-JQWIXIFHSA-N	324.377	1.262	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)cc1)c1ccnc(O)c1	790287207	KBDYLSRGWWHZOA-UHFFFAOYSA-N	312.329	1.575	50	20	DDGD	
CO[C@]1(C(=O)NNc2ncnc3ccsc23)CCSC1	897030371	IIMMEDIYBPPPOC-GFCCVEGCSA-N	310.404	1.657	50	20	DDGD	
C[C@@H]1OCC[C@]12CN(C(=O)NNC(=O)C(C)(C)C)C[C@@H](C)O2	790508373	IDCBICPBBHHQNX-ZETOZRRWSA-N	313.398	1.042	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCc3c(F)ccc(F)c32)CC1	790182527	WYSVPPRUQLYLDC-UHFFFAOYSA-N	308.332	1.572	50	20	DDGD	
CC[C@H](C(=O)NNc1ccnc(Br)c1)C(=O)OC	790901404	KIRQWSPQXWGXEL-MRVPVSSYSA-N	316.155	1.486	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@H]1CCC(F)(F)C1	794898028	CAQIDWQGJLKMDX-JTQLQIEISA-N	300.280	1.951	50	20	DDGD	
COc1ccc(/C=C(\C#N)S(N)(=O)=O)cc1OC(F)F	798232509	WYQNOJILACEQLU-XBXARRHUSA-N	304.274	1.450	50	20	DDGD	
COC(=O)[C@@H](C)N(C)S(=O)(=O)c1ccc(CCCl)cc1	795286514	AIIMZBBMTFZWMG-SNVBAGLBSA-N	319.810	1.650	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C)cc1)C(C)(C)n1cncn1	794476928	UJLNNQMMXDSSQM-UHFFFAOYSA-N	315.377	1.893	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2c(C)noc2C2CC2)n1	794081665	NVJCBOACXLUAJN-UHFFFAOYSA-N	300.318	1.639	50	20	DDGD	
Cn1cc(Cl)cc1C(=O)NNc1nncc(N)c1Cl	1319777284	NQNSYDQGCBZAIB-UHFFFAOYSA-N	301.137	1.461	50	20	DDGD	
O=C(NNc1ncccc1F)Nc1ccnn1C[C@@H]1CCOC1	1323074261	ZQEZCRHDTANJOX-JTQLQIEISA-N	320.328	1.602	50	20	DDGD	
Cc1cccc(N2CCN(CCCNC(=O)CCl)CC2)c1	1323269226	LLZHIBCZPOBTRX-UHFFFAOYSA-N	309.841	1.862	50	20	DDGD	
Cn1c(S)nnc1Cc1csc(NC(=O)CCl)n1	1324706856	QXVSLXWCUWOEKC-UHFFFAOYSA-N	303.800	1.328	50	20	DDGD	
COc1ccc(C(=O)CCC(=O)NNc2ccn(C)n2)cc1F	1322273702	PISWFGUXGSNVRL-UHFFFAOYSA-N	320.324	1.674	50	20	DDGD	
CC(C)n1cc(NC(=O)C(=O)NNc2cccc(F)n2)cn1	1327588945	AOVJTZJRCFCIQS-UHFFFAOYSA-N	306.301	1.080	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccc(C(=O)O)cn2)C[C@H]1Br	1329507831	VSTZCGXKTUGMTN-SKDRFNHKSA-N	313.151	1.683	50	20	DDGD	
CCn1c(O)nc2ccc(C(=O)NNC(=S)NC(C)C)cc21	1327068288	KXKMCTCWUDFANY-UHFFFAOYSA-N	321.406	1.279	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@@H]2CCCc3cccnc32)c1Cl	1255934216	XWCOGNABLCDWNA-SECBINFHSA-N	318.768	1.670	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCCN2C(C)C)cc1	1335476194	UPIIGBWCALQLRB-CQSZACIVSA-N	305.378	1.329	50	20	DDGD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)c1n[nH]c2c1CCCC2	1256323738	CPADWYGJVJVUJX-ZJUUUORDSA-N	318.377	1.055	50	20	DDGD	
C[C@@H](C(=O)NNc1nncc(N)c1Cl)C(=O)OC(C)(C)C	1331381392	UFSQYABJXQOVDD-LURJTMIESA-N	315.761	1.133	50	20	DDGD	
COc1cc(C(C)=NNC(=O)C2CCOCC2)cc(OC)c1O	1349839074	NAHDNNQOBVPIDZ-UHFFFAOYSA-N	322.361	1.676	50	20	DDGD	
CCCOc1ccc(NC(=O)NNC(=O)C2CCNCC2)cc1	1345110497	CSRAAOSDVKICPB-UHFFFAOYSA-N	320.393	1.628	50	20	DDGD	
C[C@]1(C(=O)N2CCc3ncnc(O)c3C2)C[C@H]1Br	1350718215	WJCIVKJCWWWSNL-SKDRFNHKSA-N	312.167	1.240	50	20	DDGD	
CSCC[C@H](N)CC(=O)NC[C@@]1(C)C[C@@H]1Br	1357908876	ABENDFGAJZJZGA-ATZCPNFKSA-N	309.273	1.747	50	20	DDGD	
C[C@H](CC(=O)O)C(=O)NNc1cncc(Br)c1	1604095224	RDMPUUHTGYEMRT-ZCFIWIBFSA-N	302.128	1.398	50	20	DDGD	
C[C@H]1CC(=NNC(=O)C(=O)O)c2cccc(Br)c21	1609837868	CHPDJBWKKDLSOH-LURJTMIESA-N	311.135	1.861	50	20	DDGD	
Cc1cc(NC(=O)NNc2ccc(F)c(C(=O)O)c2)n(C)n1	1607690290	CUKHQCSDKVVPQH-UHFFFAOYSA-N	307.285	1.714	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C\c1cc(-c2nn[nH]n2)n(C)c1C	1604184658	RRTZEZBRVRJYLQ-GHXNOFRVSA-N	313.365	1.337	50	20	DDGD	
C#CC[C@H](CCOC)NC(=O)NNc1ccc(C(=O)O)c(F)c1	1602683134	JCJYODLDRVEIRZ-SNVBAGLBSA-N	323.324	1.578	50	20	DDGD	
Cc1ncsc1CCC(=O)NNc1ccc(C(=O)O)cn1	1607993798	BUJYLTFYOGDERQ-UHFFFAOYSA-N	306.347	1.621	50	20	DDGD	
CC[C@H](NNC(=O)c1ccccc1Br)C(=O)O	1609931114	JCBCMTAXDSZEBR-VIFPVBQESA-N	301.140	1.547	50	20	DDGD	
O=C(O)c1ccnc(C(=O)NN=c2cc[nH]c3ccccc23)c1	1602482318	VAFFNAPUURTDLF-UHFFFAOYSA-N	308.297	1.507	50	20	DDGD	
O=C(O)Cn1ccc(NC(=O)NNc2c(F)cccc2F)n1	1602165698	VTUBFTYMTAGVFJ-UHFFFAOYSA-N	311.248	1.395	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)c1ccc(Cl)cc1)C(=O)O	1603562778	WNGSJLTXKVXSBS-QMMMGPOBSA-N	313.741	1.395	50	20	DDGD	
O=C(O)Cc1cccc(NC(=O)NNC(=O)c2ccccn2)c1	1606312250	AAVMZVPTFJNANC-UHFFFAOYSA-N	314.301	1.175	50	20	DDGD	
CC(CCc1ccco1)=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549315984	POZKZGGKLZJUDU-ZFWWWQNUSA-N	305.378	1.568	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@]12C[C@H]1CCCN2)c1ccccc1	1576938752	LBDWNGQSLFTSII-CPUCHLNUSA-N	301.390	1.470	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2c[nH]ccc2=N)ccc1F	1578860347	NWPKAFYQCSDFOZ-UHFFFAOYSA-N	304.281	1.177	50	20	DDGD	
CN(NC(=O)c1cccc2c1CCCC2)C(=O)N1CCNCC1	1578506492	OOAPOFFXDPPNJE-UHFFFAOYSA-N	316.405	1.167	50	20	DDGD	
COc1ccc2nc(NNC(=O)[C@H]3CCCN3)c(C)cc2c1	1579259416	LGSYMQWHUPEVFP-CQSZACIVSA-N	300.362	1.747	50	20	DDGD	
C/C=C(/C)C(=O)NNC(=S)Nc1cccc(-c2cnn[nH]2)c1	1576160759	OAPMLYMFUQEXKE-OQFOIZHKSA-N	316.390	1.756	50	20	DDGD	
O=C(N[C@@H]1CNOC1)[C@@]1(c2ccccc2)C[C@@H]1Br	1580749192	LVSBAAUWYXHFSF-NTZNESFSSA-N	311.179	1.111	50	20	DDGD	
NC1(CC(=O)NNC(=O)c2ccccc2Br)CC1	1580143790	FYWXOGJYSUBURC-UHFFFAOYSA-N	312.167	1.092	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@]2(C(=O)O)CC=CCC2)c(O)c1	1594347108	VZLXFYPZXSJXNB-INIZCTEOSA-N	318.329	1.273	50	20	DDGD	
C[C@H](CC(=O)O)CC(=O)NNC(=O)c1cccc2cccnc12	1592391794	QJZZKWRUHGZFAK-JTQLQIEISA-N	315.329	1.497	50	20	DDGD	
O=C(Cc1ccsc1)NNC(=O)Nc1ccccc1C(=O)O	1594711688	GGZWEVIPUCXOGM-UHFFFAOYSA-N	319.342	1.842	50	20	DDGD	
O=C(O)CCCC(=O)NNc1ccc(-c2ccccc2)nn1	1595027861	SOIKBAHUZIMWLC-UHFFFAOYSA-N	300.318	1.842	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@H]1C(=O)O)c1cccc2cccnc12	1594783066	TZZMYEZZTMRTAI-GHMZBOCLSA-N	313.313	1.107	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1590385387	QAMXYXMHBCUGNH-CYBMUJFWSA-N	324.772	1.778	50	20	DDGD	
O=C(O)COCC(=O)NNc1ccccc1OC(F)(F)F	1595107387	VTVOGDUSHFYHNX-UHFFFAOYSA-N	308.212	1.130	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)NC2CC2)cc1	5127956	SVGBNVGDYMWNFP-VSXLWIIGSA-N	314.341	1.812	50	20	DDGD	
COc1cc(/C=C(\C#N)S(=O)(=O)NC2CC2)ccc1C(=O)O	1777285264	VHLOIXDLJXVQDV-IZZDOVSWSA-N	322.342	1.340	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2cccn3c(C(=O)O)cnc23)n1	1776057781	DUTMGKOIPRUKRS-UHFFFAOYSA-N	323.312	1.500	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc(/C=C\C(=O)O)cc1	1776129826	YGCWEVMWXOHEFL-FGTQOCLDSA-N	314.341	1.844	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NN=C(C)c1cc(C(=O)O)ccc1O	1776102519	RPQSQQOGSKRRKN-YPMHNXCESA-N	306.318	1.356	50	20	DDGD	
O=C(O)c1cc(F)c(C=NNC(=O)c2cccnn2)c(F)c1	1776103333	DOJOVZFYHBQPCO-UHFFFAOYSA-N	306.228	1.217	50	20	DDGD	
C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](Cl)CC)C2)C1	1781222347	SDYULMGJVMQKKQ-DOMZBBRYSA-N	314.813	1.410	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)COc1ccccc1O	5824601	GVYOANRRFSTPQD-UHFFFAOYSA-N	300.314	1.541	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2ccc(F)cc2)cn1	16203722	ZEZNEOIFEDKIDL-UHFFFAOYSA-N	303.293	1.233	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2CCCCO2)c1C	161372684	UZFAQKFGVAMNEL-HIFRSBDPSA-N	320.389	1.787	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1cccc(C#N)c1)c1ccncc1	160432362	RROVZUCTLVCXLT-LBPRGKRZSA-N	308.341	1.908	50	20	DDGD	
CCOC(=O)N[C@H](C(=O)NNc1ccc(C#N)cc1)C(C)C	155130874	HGVBJCMSSSDOMC-ZDUSSCGKSA-N	304.350	1.772	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccc(C(N)=O)nn1)c1ccc(F)cc1	154349410	KLQDBWHDALZAGW-VIFPVBQESA-N	317.324	1.352	50	20	DDGD	
O=S(=O)(NCCc1cn[nH]c1)c1ccc(CCCl)cc1	379589255	QQRCPTCNFRQYTR-UHFFFAOYSA-N	313.810	1.712	50	20	DDGD	
COC(=O)N1CCC(=NNC(=O)COc2ccc(F)cc2)CC1	54871082	IQSWYZGELKAJRI-UHFFFAOYSA-N	323.324	1.539	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNC(=O)COc1ccc(C)cc1	104202580	AVEWUEHZDYEAQF-OAHLLOKOSA-N	319.405	1.396	50	20	DDGD	
CN(C)c1cc(C(=O)NNC(=O)c2cc3ccccc3o2)ccn1	109312100	LOJIZSRLZXMEJA-UHFFFAOYSA-N	324.340	1.969	50	20	DDGD	
COc1cc(CC(=O)NNC(=O)Cc2cccnc2)ccc1C	103424333	PDQQLVKHTNZJSE-UHFFFAOYSA-N	313.357	1.331	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)c1cc(Cl)ccc1O	66897992	BIFBRKFVSRCPBH-VIFPVBQESA-N	312.753	1.788	50	20	DDGD	
C[C@H]1CCCN(CC(=O)NNC(=O)c2ccc(F)cc2)CC1	68837835	NRCAHRQRJBDKTA-LBPRGKRZSA-N	307.369	1.709	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CCCc1ccccc1)n1cncn1	68052931	BQKOLVLMWQAXDX-GFCCVEGCSA-N	301.350	1.009	50	20	DDGD	
CC(=O)NNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1	28778721	ZVKBBXMGCMMHLW-UHFFFAOYSA-N	320.349	1.612	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)CC2CCOCC2)c1	117122060	WYKRVXWMBWUTMG-UHFFFAOYSA-N	305.378	1.330	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1	23916052	NQLGTCXBEPDJIN-UHFFFAOYSA-N	318.289	1.071	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@H]2CCCO[C@@H]2C(C)C)o1	177304110	DQOVAVQKLSPAEO-TZMCWYRMSA-N	323.393	1.983	50	20	DDGD	
COC(=O)CN(CC(=O)OC)C(=O)c1cccc(CCl)c1	61876604	JMRPKLOVWXWBMP-UHFFFAOYSA-N	313.737	1.214	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccn(C)n2)cc1OC	179418501	UMRVPXSWIQQYRT-XYOKQWHBSA-N	312.329	1.983	50	20	DDGD	
COc1ccc2c(c1)C[C@@H](C(=O)NNc1cc(C)ncn1)CO2	172276857	AOVVECIVGPQGQP-GFCCVEGCSA-N	314.345	1.488	50	20	DDGD	
COCCCNC(=O)NNC(=O)C1(c2ccccc2C)CC1	171026372	UDZKBRSCCWGPFO-UHFFFAOYSA-N	305.378	1.394	50	20	DDGD	
O=C(NN=Cc1cccc2[nH]ncc12)c1n[nH]c2c1CCCC2	1261833120	MRYAFFYTBNLBHX-UHFFFAOYSA-N	308.345	1.929	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(Br)c(F)c1	173977619	WTYNPSVBRDXNDG-UHFFFAOYSA-N	306.091	1.981	50	20	DDGD	
COC[C@H](C)CNC(=O)NNC(=O)CCCc1ccccc1	170883173	BUFBTVVGNGHUNO-CYBMUJFWSA-N	307.394	1.622	50	20	DDGD	
CNC(=O)NNC(=O)[C@H](C)Cc1ccc(Br)cc1	126681045	XYLQVHRUESLKFH-MRVPVSSYSA-N	314.183	1.588	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2CCN(CC3CC3)C2)n1	125991638	VRXTVLYSOWRFCV-ZDUSSCGKSA-N	304.398	1.204	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCC1CCN(CC(F)(F)F)CC1	186952892	JQEHDIVPLMOYPG-FMIVXFBMSA-N	319.327	1.821	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)c2ccc(F)cc2)[nH]n1	120085646	HOPAAYCWSWEHAS-UHFFFAOYSA-N	304.325	1.596	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)C)c2c(C)nn(C)c2n1	77220047	CBZPQTXBNJDWCD-UHFFFAOYSA-N	303.366	1.392	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CCC(=O)N2)ccc1Br	120797938	MOJLENVYAHFUEE-JTQLQIEISA-N	312.167	1.479	50	20	DDGD	
C[C@@H](Oc1ccccc1Cl)C(=O)NNC(=O)c1cccn1C	74405414	VMITZDRSHYBYHK-SNVBAGLBSA-N	321.764	1.907	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1cccc(-c2cc[nH]n2)c1	185968654	BHQDTQDTLUYAKB-UHFFFAOYSA-N	324.344	1.882	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cccn2C)c1	72785047	WCNVRYJHSWMQRZ-GFCCVEGCSA-N	301.346	1.562	50	20	DDGD	
COc1cccc(C(=O)NNc2cccc(S(C)(=O)=O)c2)c1	181119459	AHPTZHKTKGFBFB-UHFFFAOYSA-N	320.370	1.856	50	20	DDGD	
CCCCn1cc(C(=O)NNC(=O)c2ccncc2)c(C)n1	184712358	SGPHNLGGDJQEMS-UHFFFAOYSA-N	301.350	1.461	50	20	DDGD	
CC(C)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)C(=O)NC2CC2)CC1	187442374	LEEZUPCQAIQBML-VXGBXAGGSA-N	324.425	1.200	50	20	DDGD	
CCCCN1C(=O)CC[C@@H](C(=O)NN)[C@@H]1c1ccccc1OC	195519555	WBWRJLURKSFOOJ-CJNGLKHVSA-N	319.405	1.765	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNc2ccccc2[N+](=O)[O-])C1	133025158	ZUSUWXGKXIRDKV-SNVBAGLBSA-N	306.322	1.296	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)[C@@H]2CCCO2)cc1C	42968774	OTCZWGRDESZMPB-AWEZNQCLSA-N	306.362	1.399	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@H](C)C1CCC1	131267941	KCQCHWFTNPXQRR-LLVKDONJSA-N	305.378	1.757	50	20	DDGD	
CC(C)c1c(NC(=O)NNC(=O)CO)cnn1-c1ccccc1	192343704	XSSRVUYJMBAHJR-UHFFFAOYSA-N	317.349	1.141	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccc(Cl)nc1C	194585439	UGKIXSBOECMBSU-UHFFFAOYSA-N	308.729	1.991	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cc2ccccc2s1	194902880	VTZGUEBIHWQRGE-UHFFFAOYSA-N	305.359	1.588	50	20	DDGD	
CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NN)c1	193440352	DONXOYQLUAUKLV-UHFFFAOYSA-N	319.386	1.505	50	20	DDGD	
O=C(C#Cc1ccccc1)NNC(=O)[C@@H]1COc2ccccc2O1	80471688	FGLOJLVUTDCMIV-INIZCTEOSA-N	322.320	1.026	50	20	DDGD	
CC(=O)N1CC(C(=O)NNc2cccc(Br)c2)C1	191930761	NDNUOFVQFSCIRC-UHFFFAOYSA-N	312.167	1.371	50	20	DDGD	
CCC1CC(=O)C(=CNNC(=O)Cc2csc(C)n2)C(=O)C1	194960251	PNPYWUAVAFOOQR-UHFFFAOYSA-N	321.402	1.457	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CCc2ccc(C(=O)O)cc2)n1	237589071	JBQWRWUNYDQHHM-UHFFFAOYSA-N	314.345	1.868	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCn1cnc2ccccc21	264764070	JPBTVPNOVRGZDM-UHFFFAOYSA-N	303.366	1.413	50	20	DDGD	
Cn1ncc(C(=O)NNc2cccc([N+](=O)[O-])c2)c1C1CC1	269617085	OJAWNZQIDBPJOG-UHFFFAOYSA-N	301.306	1.963	50	20	DDGD	
COc1ccc([C@@H](O)CNS(=O)(=O)CBr)cc1	272798530	KUQBHCPNMLZZIH-JTQLQIEISA-N	324.196	1.000	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](O)CCc2ccccc2)o1	271073032	YTWCDDDUTCMIOR-ZDUSSCGKSA-N	302.330	1.343	50	20	DDGD	
O=C(NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)c1ccc(Cl)cc1	367701073	KCJDQQMDUSQASZ-WCFLWFBJSA-N	308.765	1.916	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@@H]1CCO[C@@H](C)C1	271307604	RWWJCAHVIVWQEY-NWDGAFQWSA-N	306.366	1.898	50	20	DDGD	
O=S(=O)(CBr)NCc1cn2ccsc2n1	272869042	ZFWCVZFHWCTBGE-UHFFFAOYSA-N	310.198	1.168	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)n1	275361998	WLSUIPWJCGTCIR-QWHCGFSZSA-N	316.365	1.048	50	20	DDGD	
CC[C@H](NNC(=O)[C@@H](C)Oc1cccc(Cl)c1)C(=O)OC	279688924	FXOMDFGTELWFGE-SKDRFNHKSA-N	314.769	1.680	50	20	DDGD	
Cn1cc([C@H](NC(=O)NNc2ncccn2)c2ccccc2)cn1	374953066	MNFSFENPCQPCAG-CQSZACIVSA-N	323.360	1.626	50	20	DDGD	
O=C(O)C1(NS(=O)(=O)c2ccc(CCCCl)cc2)CC1	282737568	FCYFMKHTVJVVRX-UHFFFAOYSA-N	317.794	1.754	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccn(-c2cccc(C#N)c2)n1	281350890	VHIOOVJKMVNZDY-UHFFFAOYSA-N	311.345	1.551	50	20	DDGD	
Cc1sc(=O)n(CCC(=O)NNc2cccc(F)n2)c1C	286632218	SIRITBSQWFEDGV-UHFFFAOYSA-N	310.354	1.594	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NCCSSC)cn1	284573034	GLUKJMOAOASRON-UHFFFAOYSA-N	308.450	1.770	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C(C)(C)C2CCOCC2)n1	281620034	ZUWDVVPIUXVLMD-UHFFFAOYSA-N	308.382	1.690	50	20	DDGD	
CC[C@H](C)CONC(=O)NNC(=O)c1cccc(N(C)C)c1	291961453	WNDITYFNNYANNI-NSHDSACASA-N	308.382	1.674	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1ccc(-c2ncon2)cc1	291777829	NMCFUFDBRZPHCT-NSHDSACASA-N	317.305	1.068	50	20	DDGD	
Cc1nn(C)c(C)c1[C@H](C)C(=O)NNC(=O)Nc1ccccc1	801989120	GDEJIUZHDPJMRV-JTQLQIEISA-N	315.377	1.993	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1	807380070	AWSIXMCJWBRUQX-RBSFLKMASA-N	322.453	1.581	50	20	DDGD	
COC(=O)Cc1occc1C(=O)NN(C)C(=O)OC(C)(C)C	297418855	YGVPXXVXLZPBDM-UHFFFAOYSA-N	312.322	1.507	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)N[C@H](C)CCC=C(C)C	297637253	BPRNUXMJOPIISD-OLZOCXBDSA-N	315.414	1.503	50	20	DDGD	
CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)NNC(=O)C(C)(C)C)C1	808268424	MVSQNYAKEQOWMY-YNEHKIRRSA-N	324.425	1.010	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)c(O)c1	802024411	OMXYFWSNWXKODC-UHFFFAOYSA-N	314.345	1.799	50	20	DDGD	
CCc1nnc(O)c(C(=O)NNc2ncccc2F)c1CC	804219139	CHCWDQRPVWEXOF-UHFFFAOYSA-N	305.313	1.598	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@H]1CCCN1c1ncccn1	804767418	LRXVKHSMSMFIIM-SNVBAGLBSA-N	302.313	1.123	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc2c(c1)SCC(=O)N2	290428402	KACFWZDNZGTVMQ-UHFFFAOYSA-N	321.402	1.928	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNC(=O)Cc2cccnc2)cn1	806794944	YGUAEPYMODVBQG-UHFFFAOYSA-N	313.361	1.173	50	20	DDGD	
CC(C)=CCC[C@@H](C)NC(=O)NNC(=O)C(=O)N1CCCC1	298002015	DEGWVYOWUOZBRG-GFCCVEGCSA-N	310.398	1.074	50	20	DDGD	
C[C@H](NC(=O)c1cccs1)C(=O)NNc1ncccc1F	804214429	XAWAXHHREVSOLE-QMMMGPOBSA-N	308.338	1.544	50	20	DDGD	
CCOc1ccc(NNC(=O)CC[C@@]2(C)CCC(=O)N2)cc1	817915085	BIMVWHXWKIIFLI-MRXNPFEDSA-N	305.378	1.977	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@@H](O)c1ccc(Cl)cc1	813470755	SNVBAMSEVPDPEU-AWEZNQCLSA-N	319.748	1.159	50	20	DDGD	
CCc1nc2ccc(Cl)cn2c1C(=O)NNC(=O)NC1CC1	813423722	MEAYGGWMMPGPQH-UHFFFAOYSA-N	321.768	1.657	50	20	DDGD	
Cc1nc(C(C)C)ccc1C(=O)NNC(=O)Cc1ccncc1	815746675	QQRNZUKJTNSQEM-UHFFFAOYSA-N	312.373	1.912	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Cc1ccc([Si](C)(C)C)cc1	810148385	ZBKMUANIHSKNCE-UHFFFAOYSA-N	306.482	1.968	50	20	DDGD	
Cn1ncc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)c1Cl	814684531	XMYYBWMLPPTEFH-UHFFFAOYSA-N	307.697	1.746	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(C#N)cc(N(C)C)c1	814408383	UDFZETILRLWFMR-UHFFFAOYSA-N	303.366	1.368	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCc1ccon1	816828811	PWKPBNRWYZAHLP-SNVBAGLBSA-N	321.308	1.361	50	20	DDGD	
CSc1ncc(C(=O)NNc2nc[nH]n2)n1-c1ccccc1	816633925	RGAVELQVCYANHC-UHFFFAOYSA-N	315.362	1.469	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C(=O)NNc2ncncc2F)c1C	817078382	BLDQTLDFPOXPOS-UHFFFAOYSA-N	321.312	1.494	50	20	DDGD	
COCCOc1cccc(CC(=O)NNc2ncncc2F)c1	817079726	KGHJCFVZMYZPSY-UHFFFAOYSA-N	320.324	1.327	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)Cn1cnc2ccccc21	812451683	JOYLGVLDHZGIAY-NEPJUHHUSA-N	318.377	1.102	50	20	DDGD	
COc1cc(Cl)cc(C(=O)NNC(=O)c2cccnc2)c1	814193052	JALBTSUSGSHVBV-UHFFFAOYSA-N	305.721	1.818	50	20	DDGD	
C[C@H]1CCCC[C@@H]1C(=O)NNc1nc(O)c2cnn(C)c2n1	819286164	MNAHCCFQJFDBNN-IUCAKERBSA-N	304.354	1.338	50	20	DDGD	
CCN(CCO)NC(=O)c1nccnc1Sc1ccccc1	823874814	YMFFRSRYPZCFMP-UHFFFAOYSA-N	318.402	1.587	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cnn(C2CCC2)c1	824436928	IQGDUEURONGNLB-UHFFFAOYSA-N	307.423	1.517	50	20	DDGD	
Cn1c(=NNC(=O)/C=C/[C@H]2CCOC2)sc2ccccc21	822362693	AZLZKQWJWFDNDI-ZDBKJYQZSA-N	303.387	1.764	50	20	DDGD	
C[C@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)OC(C)(C)C	491010708	MQUTYXMPWZNYSA-PQTFEYQYSA-N	304.350	1.173	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(OCc2cccnc2)cc1	823976230	BEDZLFLORZRUEI-ZDUSSCGKSA-N	315.373	1.618	50	20	DDGD	
CC1=CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)CC(C)(C)C1	728436013	CBIUOGZGJAUTTN-SNVBAGLBSA-N	301.412	1.163	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2CCC[C@@H]2C)cc1OC	729507898	LBEILARDKNRQHR-JQWIXIFHSA-N	321.377	1.836	50	20	DDGD	
C#CCN(C1CCCCC1)[C@H](C)C(=O)NNC(=O)CC(C)C	490866756	TWGZHNAGLQXXLI-CQSZACIVSA-N	307.438	1.836	50	20	DDGD	
Cn1c(=NNC(=O)CCN2CCOC2=O)sc2ccccc21	490786627	BJVNSYCLDRCDNS-UHFFFAOYSA-N	320.374	1.014	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)SC	826108430	JLKUHXNSDZJOBQ-MNOVXSKESA-N	317.455	1.664	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(F)cc1Br	823987988	OAHPSYRUGUTWPH-SSDOTTSWSA-N	305.147	1.546	50	20	DDGD	
CO[C@H](Cc1ccccc1)C(=O)NNc1ccnc(N(C)C)n1	825987075	DYOSXGMJGFLRCP-CYBMUJFWSA-N	315.377	1.243	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1	822781858	KPPRSKBGXDFDQL-CQSZACIVSA-N	324.768	1.573	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC=C(c2cccnc2)C1	829897240	CQJDOPUXZQANAR-LBPRGKRZSA-N	302.378	1.117	50	20	DDGD	
C/C=C(/C=C\C(=O)NNC(=O)COc1ccc(C#N)cc1)CC	492166678	FWDSAUAIBUWKFF-GBNOFXTISA-N	313.357	1.997	50	20	DDGD	
COC(=O)Nc1cc(NC(=O)NNc2ncccn2)ccc1F	497198869	AOAWRNCYHLHJTE-UHFFFAOYSA-N	320.284	1.943	50	20	DDGD	
COC1(CNC(=O)/C(C#N)=C\c2cnn(C)c2)CCCCC1	490973714	LXWAWVBOPYSBHO-ZSOIEALJSA-N	302.378	1.793	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@H](C2CC2)[C@@H](CO)C2CC2)cn1	491100451	AVNKTULKKODNGF-ILYXUJSMSA-N	314.389	1.240	50	20	DDGD	
CS[C@@H](C)CC(=O)NNC(=O)CCNC(=O)OC(C)(C)C	495393263	MSKBYAKPEIAIPM-VIFPVBQESA-N	319.427	1.190	50	20	DDGD	
CCC[C@]1(CO)CCCN1C(=O)/C(C#N)=C/c1cnn(C)c1	491086736	UZHWSFQCCXBLBM-FCONWMNKSA-N	302.378	1.481	50	20	DDGD	
CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)/C(C#N)=C/c1cnn(C)c1	491106537	SQPHFXFKHHHWPL-NEMMGDRCSA-N	316.405	1.894	50	20	DDGD	
CC(C)(C)OC(=O)NCC1(CC(=O)NNc2cnccn2)CC1	496716883	GMBZWABAMZLNHJ-UHFFFAOYSA-N	321.381	1.615	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C1=C(C)C(C)(C)OC1=O	731491673	RQQPXENKBHYBSD-UHFFFAOYSA-N	318.329	1.108	50	20	DDGD	
COc1ccnc(NNC(=O)/C(C#N)=C/c2ccc(O)cc2)n1	490909765	OTLZAJJEQVKBAF-DHZHZOJOSA-N	311.301	1.241	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCOC[C@H]2c2ccccc2)cn1	491048956	MCUXZXICMWWUMR-NDCSFFLDSA-N	322.368	1.927	50	20	DDGD	
CCS(=O)(=O)CC(C)=NNC(=O)c1cccc([N+](=O)[O-])c1	733743436	RHLJFAFLHRYNOS-UHFFFAOYSA-N	313.335	1.135	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc(OC)c(C)c1C	901966921	VBSGMWILJNHASH-UHFFFAOYSA-N	324.402	1.425	50	20	DDGD	
CCCC[C@H](CC)CNC(=S)NNC(=O)C(=O)NC(C)C	730594353	XASAZRXLFJHSAB-NSHDSACASA-N	316.471	1.223	50	20	DDGD	
CC(C)c1nc(CN(C)C(=O)c2cccc(B(O)O)c2)cs1	585007099	JPMDHVDANKNBAS-UHFFFAOYSA-N	318.207	1.219	50	20	DDGD	
COc1nc(Cl)c(C=NNC(=O)[C@H]2CCCCO2)s1	834985758	KOPYEDBJRQEMHA-SSDOTTSWSA-N	303.771	1.824	50	20	DDGD	
CC(C)c1nnc(CNC(=O)[C@@]2(C)C[C@H]2Br)n1C	907240871	QCYPFSYGTWIPRY-PELKAZGASA-N	315.215	1.728	50	20	DDGD	
CO[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2)C12CCC2	838768792	RNLKQZDVWDHMPQ-OLZOCXBDSA-N	303.362	1.588	50	20	DDGD	
COCc1nc(C(=O)NNc2cnnc3ccccc23)cs1	733811076	ZSOIXLSYIPUHPX-UHFFFAOYSA-N	315.358	1.990	50	20	DDGD	
O=CN1CCC[C@@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	830810789	UUQWUZFVLOIHIK-LLVKDONJSA-N	312.713	1.312	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cncc(O)c1	731864887	DAPXNMAJRUKUPS-VIFPVBQESA-N	319.292	1.155	50	20	DDGD	
C[C@H](CC1CCCCC1)NC(=O)c1cc(B(O)O)ccc1F	584983252	VEBOWNVZUXGBDZ-LLVKDONJSA-N	307.174	1.594	50	20	DDGD	
CO[C@@H](C=NNC(=O)Cc1ccccc1F)C1CCOCC1	834956648	NXJYYTAMQLTRJH-HNNXBMFYSA-N	308.353	1.912	50	20	DDGD	
CC(=O)NC1CCC(NC(=O)NNc2ccc(F)cn2)CC1	731366325	ZFVMEEKRJUTECL-UHFFFAOYSA-N	309.345	1.294	50	20	DDGD	
OB(O)[C@@H]1CCN(Cc2c(Cl)cccc2OC(F)F)C1	585076559	ONDQSIAXPGAAQV-MRVPVSSYSA-N	305.517	1.990	50	20	DDGD	
O=C(c1nc(-c2ccccc2)cs1)N1CC[C@@H](B(O)O)C1	585066487	PBIDJDKCDWHNBA-LLVKDONJSA-N	302.164	1.499	50	20	DDGD	
O=C(Cc1csc(-c2ccoc2)n1)N1CC[C@@H](B(O)O)C1	585068422	AQXKTEGJOYDTNK-SNVBAGLBSA-N	306.152	1.021	50	20	DDGD	
CC(C)CN(C)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	733347944	DIZMJUURVJXKHG-UHFFFAOYSA-N	315.377	1.815	50	20	DDGD	
COc1cccc2[nH]cc(CCNS(=O)(=O)CCl)c12	831048238	KCOAMVICXKEGOW-UHFFFAOYSA-N	302.783	1.835	50	20	DDGD	
OB(O)c1ccc(CNC2CCC(c3ccc(F)cc3)CC2)o1	585033969	DHOCCFWIBJDKFE-UHFFFAOYSA-N	317.169	1.915	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=C2CCCS(=O)(=O)C2)c1	731924329	DVGYDGPADGILLH-UHFFFAOYSA-N	309.391	1.047	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2C[C@@H]2C(=O)O)ccc1Br	738461446	CWCHUAOABNRTQP-BDAKNGLRSA-N	313.151	1.921	50	20	DDGD	
Cn1cc(C=NNC(=O)c2nn(-c3ccccc3)cc2O)cn1	917212415	XKTPWWZSZSIXAL-UHFFFAOYSA-N	310.317	1.075	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)CCOC(C)C)cc1	914950010	FEUVIMCJNIATHW-UHFFFAOYSA-N	322.361	1.114	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc2nc(CC)sc2c1	832341751	GKTGTBSSUSGUOT-UHFFFAOYSA-N	320.374	1.355	50	20	DDGD	
CC[C@@H]1CCC[C@H]1C(=O)OCC(=O)NNC(=O)c1ccccc1	837844902	WEMHSLRYGWJPJT-TZMCWYRMSA-N	318.373	1.817	50	20	DDGD	
COc1cc(C#N)ccc1OCC(=O)NNC(=O)C1CCCC1	914843256	HCZGFYKLOUNJNX-UHFFFAOYSA-N	317.345	1.283	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)N[C@H]1CSc2ccccc21	838480884	FVLKEUXGKDBTBE-NWDGAFQWSA-N	321.402	1.733	50	20	DDGD	
O=C(Cc1cccc(C(=O)O)c1)NNC(=O)c1ccccc1O	833765766	LGMFCXOYUFJVGI-UHFFFAOYSA-N	314.297	1.094	50	20	DDGD	
CCOc1c(Cl)cc(C(=O)NNC(=O)N(C)C)cc1OC	746012988	RFLIJYRQEDHSIQ-UHFFFAOYSA-N	315.757	1.663	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@]1(C(=O)OC(C)(C)C)CC=CCC1	910139558	BBAJVLWTGJSKPG-LRDDRELGSA-N	312.410	1.398	50	20	DDGD	
CN1Cc2c(NC(=O)NNC(=O)C3CCCC3)cccc2C1=O	841735909	XSHTXMDTKMKOOA-UHFFFAOYSA-N	316.361	1.615	50	20	DDGD	
O=C(O)CSCC(=O)NNc1ncccc1C(F)(F)F	740485471	QYNCVAQHSAVYPX-UHFFFAOYSA-N	309.269	1.361	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2c[nH]nc2-c2ccncc2)n1	916160134	JNYXKYVESRZHPD-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCCC(F)(F)F)cc1	745920282	JXJMBDMCAOMLQB-UHFFFAOYSA-N	319.283	1.657	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCc1cc(Cl)cs1	843650252	AFEDHFCBLDFSSE-LDYMZIIASA-N	316.810	1.907	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1)c1ccco1	743291668	QZKBZUFENHCFMX-UPJWGTAASA-N	323.393	1.030	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H]2CCCCN2)c1F	841922641	QIKBUGFQELLSMU-JTQLQIEISA-N	324.356	1.381	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)CCCc2ccccc2)CCN1	841983835	FBSHABOVXKFXIF-ZFWWWQNUSA-N	318.421	1.480	50	20	DDGD	
Cn1cc(C(=O)C(=O)NNC(=O)c2ccc3ccccc3c2)cn1	748561612	FXHWRXAUXMTSGI-UHFFFAOYSA-N	322.324	1.217	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=Cc1ccnc2ccccc12	743446154	OSVYTGTVTIUVDW-UHFFFAOYSA-N	323.312	1.129	50	20	DDGD	
COc1ccc(C(=O)NNc2ncccn2)c(OC)c1OC	913040385	SLNJLCCLXOGSJL-UHFFFAOYSA-N	304.306	1.259	50	20	DDGD	
CCNCCCNC(=O)NNC(=O)CCCc1ccccc1	841917547	KBMKEPYMDDIIQQ-UHFFFAOYSA-N	306.410	1.339	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1ccc(O[C@H](C)C#N)cc1	842554046	IJAKZOAOENKPSQ-XUJVJEKNSA-N	301.346	1.853	50	20	DDGD	
CC(=NNC(=O)C1CC1)c1ccc(OCC(=O)N(C)C)cc1	916289150	BJLLXWVJDWTUBS-UHFFFAOYSA-N	303.362	1.404	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cccc2c1OC(C)(C)C2	748253642	PRIZUHOPPGLWGB-GFCCVEGCSA-N	320.389	1.902	50	20	DDGD	
CC(C)Oc1cccc(C=NNC(=O)C(=O)N2CCCC2)c1	748136831	SQQZHVVECMLMOI-UHFFFAOYSA-N	303.362	1.546	50	20	DDGD	
CSSCCNC(=O)NCCC(C)(C)S(C)(=O)=O	840367183	BSQLVKUPXHGBOB-UHFFFAOYSA-N	314.498	1.510	50	20	DDGD	
COC(=O)/C=C/c1ccc(C=NNC(=O)[C@H]2CCCCO2)o1	848412493	SPINUEAVJKREEY-DRLGQEPGSA-N	306.318	1.485	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C	748635251	QOOWTIXHEHPIQC-WUHRBBMRSA-N	315.414	1.193	50	20	DDGD	
C[C@@]1(CNc2nccc(S(C)(=O)=O)n2)C[C@@H]1Br	912288775	HBLSARQWLSQFHA-XVKPBYJWSA-N	320.212	1.466	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NNC(=O)c1ncccn1	841350318	JNJGJLUUXZFGDA-RYUDHWBXSA-N	306.366	1.223	50	20	DDGD	
COc1ccc(NCC(=O)NN=C[C@@]2(OC)CCOC2)cc1	841602158	ALOFGOBIDMTTCK-HNNXBMFYSA-N	307.350	1.015	50	20	DDGD	
COc1ccc(N(C)CCN(C)S(=O)(=O)CCl)cc1	845988058	SKFPVAWEECSFBX-UHFFFAOYSA-N	306.815	1.589	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)C2CC=CC2)cc1	741043083	OSTNOQWTYDXUAV-UHFFFAOYSA-N	302.330	1.265	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccccc1OCC1CC1	843646910	KXYFRMHWYAJNAB-DGCLKSJQSA-N	318.373	1.661	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)[C@@H]1CCc2nnnn2CC1	845919059	VDFBKDHVJOGOEF-GFCCVEGCSA-N	323.360	1.317	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1ncc(C2OCCO2)s1	842558093	FSQHDGVDVXTSDI-RKDXNWHRSA-N	311.363	1.064	50	20	DDGD	
COC(=O)COCCNC(=O)NNc1cc(Cl)ccc1C	923431788	WAVPTZUZDRNHBP-UHFFFAOYSA-N	315.757	1.464	50	20	DDGD	
Cc1cc(Cl)ncc1NC(=O)NNC(=O)c1cnccn1	757720933	NQKQAEFJSXSXBI-UHFFFAOYSA-N	306.713	1.300	50	20	DDGD	
COC1([C@@H](C)NC(=O)NNC(=O)c2cccc(F)n2)CCC1	852382812	LWHVDCPVXHECJW-SECBINFHSA-N	310.329	1.122	50	20	DDGD	
Cc1sc(=O)n(CC(=O)NNc2ccc(Cl)cn2)c1C	856095382	LZZIVYFSKYFRNI-UHFFFAOYSA-N	312.782	1.718	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)COc2ccccc2F)CN1C1CC1	753956107	ULTXKHPSHPWHDX-LLVKDONJSA-N	305.353	1.933	50	20	DDGD	
CC(C)CN1C[C@H](C(=O)NNc2cccnc2Cl)CC1=O	754485807	ZQRMZDFIIBJOBZ-SNVBAGLBSA-N	310.785	1.683	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1)C1CC1	858122356	UZMOGJFLPKGASU-CQSZACIVSA-N	321.808	1.862	50	20	DDGD	
CC(C)Oc1ncccc1NC(=O)NNC(=O)c1ccncc1	755947575	MNXFPUOKQMXXMO-UHFFFAOYSA-N	315.333	1.730	50	20	DDGD	
O=C1CCC[C@H](C(=O)OC[C@H](CBr)C2CC2)N1	859682037	UFDDAVQPQIFXQY-VHSXEESVSA-N	304.184	1.619	50	20	DDGD	
COC(=O)C(C)(C)CNC(=O)NC[C@]1(C)C[C@H]1Br	856842453	MAPLENGDFXXFLN-PELKAZGASA-N	321.215	1.658	50	20	DDGD	
CCc1noc(NC(=O)NC[C@]2(C)C[C@H]2Br)n1	856868578	QLJLOJJQXYLLCY-LDWIPMOCSA-N	303.160	1.927	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C=NNC(=O)c1ccc[nH]1	853283164	FKYAGRRWRRSQCA-WCQYABFASA-N	301.350	1.632	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccnn1CCc1ccccc1	857272922	JQCKCHMUBTWSJN-UHFFFAOYSA-N	312.373	1.687	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc(F)c(C(F)(F)F)c(F)c1	757896830	AFMFAYXYGSBUFO-UHFFFAOYSA-N	311.210	1.900	50	20	DDGD	
O=C(NCc1ccco1)NNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2	920833513	SOEYABAOFBYLRW-JBLDHEPKSA-N	308.407	1.647	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)[C@H]1COCCN1C1CCCC1	856091522	OSMMDHAFVJZGNA-CYBMUJFWSA-N	324.812	1.822	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)c1cccc(C#N)c1)C1CC1	852555298	PEUGPVLAJCOYMX-CQSZACIVSA-N	300.362	1.097	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)OCC(F)(F)F)c1[N+](=O)[O-]	856025376	RPTKVHNLJIOVJY-UHFFFAOYSA-N	321.211	1.837	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(NC(=O)CC)cc1	755915907	XMCVLQDWWXDPIQ-UHFFFAOYSA-N	308.338	1.224	50	20	DDGD	
CC(C)(C(=O)NC[C@@]1(C)C[C@H]1Br)S(C)(=O)=O	857689692	MYVDIKOSEVWQOI-GMSGAONNSA-N	312.229	1.099	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cccc(-n2nc(C)cc2C)c1	755949700	XIQOILTXABSAGP-UHFFFAOYSA-N	317.349	1.288	50	20	DDGD	
N#C/C(=C\c1cn(CC(=O)O)nn1)C(=O)c1ccc(F)cc1	759075156	GMTXOKLANCZMAZ-BJMVGYQFSA-N	300.249	1.292	50	20	DDGD	
C[C@]1(CNC(=O)NCCC2(O)CCC2)C[C@H]1Br	856856241	REIHIMOLBZEOCK-MWLCHTKSSA-N	305.216	1.764	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCCc1ccoc1	852558960	GOVDYJZCPVCLGL-UHFFFAOYSA-N	301.346	1.785	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)c2cn[nH]c2)cc1C	858611307	XENOBZWLRSRAHA-UHFFFAOYSA-N	301.350	1.213	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H](C(=O)NNC(=O)c2cccc(F)n2)C1(C)C	856426647	CUSFGHIARZLNNJ-ZJUUUORDSA-N	321.352	1.623	50	20	DDGD	
CC(C)N1CC(=NNC(=O)[C@@H](C)CN2CCCCC2)[C@@H](C)C1	754256354	ASHPRWWUFVDRMB-GJZGRUSLSA-N	308.470	1.941	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCC[C@H]2CCCN(C)C2)c1	858534627	CSSNKDPYSQVWGL-GFCCVEGCSA-N	324.450	1.732	50	20	DDGD	
CC(C)C[C@H](C)OCCC(=O)NNC(=O)c1cccc(F)n1	856423357	SEKLOAFCHTXYRX-NSHDSACASA-N	311.357	1.823	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCC2(C)OCCO2)cc1	759337066	JFCVHYMUESWFAP-UHFFFAOYSA-N	321.377	1.346	50	20	DDGD	
C[C@@]1(CNC(=O)N2CC(=O)N(C3CC3)C2)C[C@@H]1Br	856898246	ZIZATSLWJBSSBF-CABZTGNLSA-N	316.199	1.134	50	20	DDGD	
Cn1cc2c(n1)CCC[C@H]2C(=O)NNc1ncc(Cl)cn1	857358294	SHUKPXPPKDQMRY-SECBINFHSA-N	306.757	1.427	50	20	DDGD	
C[C@@H](CSCc1ccccc1)C(=O)NNc1cnnn1C	857273551	QKNBSVZQYKCWLM-NSHDSACASA-N	305.407	1.828	50	20	DDGD	
COc1ccnc(NNC(=O)c2cn(CC(F)F)nc2C)n1	930076986	OABMJNMEDYGHQE-UHFFFAOYSA-N	312.280	1.012	50	20	DDGD	
N#CSCCCNC(=O)c1ccc2c(c1)C(=O)NCCO2	935843627	YDUOZCXKUCHESR-UHFFFAOYSA-N	305.359	1.143	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)CCN1CCOCC1	862287075	MTMGPMBDSCADJM-UHFFFAOYSA-N	321.377	1.009	50	20	DDGD	
Cc1ccnn1-c1ccccc1NCc1cccc(B(O)O)c1	864034150	XEEQTFNFKGORCH-UHFFFAOYSA-N	307.162	1.473	50	20	DDGD	
Cc1nc(N2CCN(C[C@@H](C)CBr)CC2)n[nH]1	931628783	QSJORZKWEBYKCZ-VIFPVBQESA-N	302.220	1.266	50	20	DDGD	
Cc1ncc(NC(=O)C(=O)NNC(=O)c2ccccc2C)s1	763955502	BTXDTLAGKQZLLX-UHFFFAOYSA-N	318.358	1.160	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C1CCC1)n1ccc(C(F)(F)F)n1	865702527	ZXKFAFSZXCNFBM-SSDOTTSWSA-N	304.272	1.410	50	20	DDGD	
CCOc1ccc(C(C)=NNC(=O)CN(C)C)cc1[N+](=O)[O-]	765571281	FVSZFIQXYQEIPR-UHFFFAOYSA-N	308.338	1.395	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(S)n1)c1nc(C)cs1	863077606	JQKDQNGIPDVXFN-UHFFFAOYSA-N	323.403	1.319	50	20	DDGD	
O=C1NCC[C@]1(C(=O)NNc1cccc(Cl)n1)C1CCCC1	861811192	HZWLTQDBHRLWSG-HNNXBMFYSA-N	322.796	1.875	50	20	DDGD	
CCc1c(C(=O)NN=c2cc[nH]c(C)c2)[nH]c(C)c1C(C)=O	862510560	KVELMOGDAJGKMX-UHFFFAOYSA-N	300.362	1.970	50	20	DDGD	
Cc1cc(N(C)C)cc(C)c1NC(=O)C(=O)NNC(=O)C(C)C	766259160	SEMIXWDYCPWZGL-UHFFFAOYSA-N	320.393	1.111	50	20	DDGD	
C[C@@H](C(=O)NNc1nccc(N2CCOCC2)n1)c1ccco1	762859441	BPJMVSRSIFVPRC-LLVKDONJSA-N	317.349	1.153	50	20	DDGD	
COc1cccc(NNC(=O)[C@@]2(C3CCCC3)CCNC2=O)n1	860676694	CCYVNHXHIIZSLQ-MRXNPFEDSA-N	318.377	1.230	50	20	DDGD	
COCC(=O)NN=Cc1c(-c2ccccc2)nn(C)c1Cl	761824104	KFEASBYFDNJTHK-UHFFFAOYSA-N	306.753	1.837	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(SC(F)F)cc1	763437398	AKBPPDCDTVLLAI-UHFFFAOYSA-N	317.317	1.497	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)NC1CC1	762962462	TYVBEJVYJLFGFB-UHFFFAOYSA-N	303.278	1.183	50	20	DDGD	
CC[C@H]1C[C@@H](CC(=O)NNC(=O)Cc2cc(C)[nH]n2)CCO1	869013904	BHJRDFGPQSUTFX-AAEUAGOBSA-N	308.382	1.003	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc2ccsc2[nH]1	769770376	VIPBYTNHTDYAGG-UHFFFAOYSA-N	314.461	1.701	50	20	DDGD	
COc1ccnc(NNC(=O)c2cnc([C@@H]3CCCO3)s2)n1	760334703	HOHSBLQTMAXIRZ-QMMMGPOBSA-N	321.362	1.550	50	20	DDGD	
COCCOCC(=O)NNC(=O)CC1C2CC3CC(C2)CC1C3	869903545	VUGRSFGEHTUDGH-UHFFFAOYSA-N	324.421	1.259	50	20	DDGD	
CC(=NNC(=O)CS(C)(=O)=O)c1ccc(F)c(Cl)c1	863188492	WQDNADVRKAUQJL-UHFFFAOYSA-N	306.746	1.364	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cn2cnc3ccccc32)ns1	767415055	MDTBXCSJGYQTEW-UHFFFAOYSA-N	315.358	1.262	50	20	DDGD	
O=C(CC(F)(F)F)NN=Cc1cnc(C2OCCO2)s1	761782865	SKQWBXDPAKUQIB-UHFFFAOYSA-N	309.269	1.591	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2ncccc2C(F)(F)F)c[nH]1	762812250	JKZFBXDWBJIRLI-UHFFFAOYSA-N	312.251	1.854	50	20	DDGD	
CCNC(=O)N(C)N=Cc1cc(OC)c(OC(C)=O)c(OC)c1	769591081	DOVXNHSAJLCTOQ-UHFFFAOYSA-N	323.349	1.624	50	20	DDGD	
COC(=O)C(=O)NN=C1CCN(C2CC2)[C@@H](c2ccccc2)C1	1117961141	NWZAQBDONNOFMQ-OAHLLOKOSA-N	315.373	1.631	50	20	DDGD	
Cc1nnc(CNC(=O)NNc2ncnc3ccsc23)o1	1116301664	ZSQGTSLASYLELF-UHFFFAOYSA-N	305.323	1.209	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cnc(C(F)(F)F)nc1	777516098	NWOMURMHOINTPX-UHFFFAOYSA-N	302.256	1.447	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2c[nH]c3cnccc23)c(O)c1	1117784583	KRMBWXPEMSRGHR-UHFFFAOYSA-N	324.340	1.581	50	20	DDGD	
C[C@H]1OCCC1=NNC(=O)C(=O)NCc1ccc(Cl)cc1	771568130	OBBMETNHPICMQF-SECBINFHSA-N	309.753	1.237	50	20	DDGD	
Cc1cccc(NNC(=O)NCCCOC[C@@H]2CCCO2)n1	875024348	UJVMIVZTTXKHHF-ZDUSSCGKSA-N	308.382	1.602	50	20	DDGD	
COC(=O)N(C)CC(=O)NNC(=S)Nc1cccc(C)c1	873774495	NMGALZASKUAIFI-UHFFFAOYSA-N	310.379	1.011	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc(C)nc1OC	776902412	RSNOAJRJYGWAHZ-UHFFFAOYSA-N	315.329	1.482	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1cnn(-c2cccnc2)c1	771560753	QRHVEHDZFJQQIT-UHFFFAOYSA-N	313.361	1.609	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C	875305665	VIUZRNDCUAATSN-WDEREUQCSA-N	301.387	1.740	50	20	DDGD	
COc1ccc(O)c([C@H](C)NCC(=O)NNC(=O)C(C)(C)C)c1	775375531	MUNDYLFUYGULFX-JTQLQIEISA-N	323.393	1.245	50	20	DDGD	
COc1cccc([C@@H](CNS(=O)(=O)CCCCl)OC)c1	882436323	RUBAGLSYDHRMEP-CYBMUJFWSA-N	321.826	1.931	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(S)n1)c1cnccc1C	771551995	YGUHNSPQAOSIFB-UHFFFAOYSA-N	317.374	1.257	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)[C@H]1CCCCS1(=O)=O	776143924	IDZQGTONKPHZLU-CQSZACIVSA-N	319.386	1.067	50	20	DDGD	
O=C(NNc1ccc(F)cc1Cl)[C@@H]1CN2CCCN1CC2	885137286	RUJGLZZPORXKRG-ZDUSSCGKSA-N	312.776	1.312	50	20	DDGD	
C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NNc1ccc(C#N)cn1	888559578	OXQULLHJZHOWRA-GWCFXTLKSA-N	300.366	1.062	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H](F)C(C)C)cc1	784309875	IXCAZRHCMHURLY-CYBMUJFWSA-N	310.325	1.293	50	20	DDGD	
CCN1CCCC[C@H]1CNC(=O)NNc1ncncc1Cl	780991224	WZHCWCROCFHTLH-JTQLQIEISA-N	312.805	1.631	50	20	DDGD	
Cc1cc(C)n([C@@H](C)CC(=O)NNC(=O)C2CCOCC2)n1	883061794	HRCIEZITJBNYOG-LBPRGKRZSA-N	308.382	1.025	50	20	DDGD	
C[C@H]1CCN(Cc2ccccc2)CC1=NNC(=O)C(C)(C)O	785466075	LWSJHLQXYQWJTP-ZDUSSCGKSA-N	303.406	1.772	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@@]1(C)CCOC1=O)c1ccccc1	1123767625	TVCZTHRIZPMIJN-LRDDRELGSA-N	319.361	1.216	50	20	DDGD	
O=C(NNc1ccccn1)[C@H]1CC(c2c(F)cccc2F)=NO1	786525377	HKNMASUEDQCIGU-GFCCVEGCSA-N	318.283	1.996	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc(NCC2CC2)nc1	883069740	UGQNSEZPQPODIR-UHFFFAOYSA-N	318.377	1.091	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](c2cccc(C)c2)C1	784480960	WDOXOAIWAHARPF-ZFWWWQNUSA-N	303.406	1.730	50	20	DDGD	
CN1Cc2cc(OS(=O)(=O)CCCCCl)ccc2C1=O	780829254	RUMDTESQKUKEJF-UHFFFAOYSA-N	317.794	2.000	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@H](C)NC(=O)c1ccoc1	788188506	ADIPSUAJDBMXRH-VIFPVBQESA-N	321.308	1.689	50	20	DDGD	
O=C(CN(CC(F)F)C1CCC1)NNC(=O)c1ccccc1	887100844	TZAGSVIRPLKUHL-UHFFFAOYSA-N	311.332	1.567	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@H](O)CCc1ccccc1	781825788	PWOWVRPJHBQQBK-GFCCVEGCSA-N	306.753	1.567	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNc1ncncc1Cl	781804303	GIEDVGZANGLJEL-SNVBAGLBSA-N	311.773	1.364	50	20	DDGD	
Cc1cc(C(=O)NNc2ccnc(F)c2)n2nc(C)cc2n1	781161646	WMEGRNDMVVETFR-UHFFFAOYSA-N	300.297	1.637	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H](O)c1cccnc1	780739092	INQOMCPVQLAXRO-ZDUSSCGKSA-N	301.302	1.045	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CN(C)C2CCC2)c1	899939845	CQSFGRDNBDUBCX-UHFFFAOYSA-N	306.435	1.797	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccco1)c1cc2ccccc2o1	783528893	BVSVMQSXSPYBQU-UHFFFAOYSA-N	306.299	1.649	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@H]1CCOC2(CCC2)C1	897550463	KPODGYNACBDSGB-NSHDSACASA-N	301.350	1.522	50	20	DDGD	
C[C@@H](CSc1ccccc1)C(=O)NNC(=O)C1CCOCC1	894103237	HJSXXFQDGIVCPF-LBPRGKRZSA-N	322.430	1.989	50	20	DDGD	
CN1CCCC(C)(C)[C@H]1CNC(=O)NNC(=O)CC(F)(F)F	790896930	RIQLTAVSTPUELE-SECBINFHSA-N	324.347	1.390	50	20	DDGD	
Cn1cc2c(n1)CCC[C@@H]2C(=O)NNc1nc2ccccc2[nH]1	799102922	WHTBTOHRLFESSO-JTQLQIEISA-N	310.361	1.860	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CCc1ccn(C)n1	794221600	LIORGZXTKSTTDD-UHFFFAOYSA-N	301.350	1.514	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C[C@@H](O)c1cccc(F)c1	899995880	AEFZNOPXXDDGHI-LLVKDONJSA-N	313.398	1.543	50	20	DDGD	
Cn1cc(/C=C/C(=O)NNc2cccc(F)c2[N+](=O)[O-])cn1	790585436	PROWRBAKHPUNPP-AATRIKPKSA-N	305.269	1.624	50	20	DDGD	
CO[C@H]1CCN(C(=O)NNC(=O)c2cccc(C#N)c2)[C@H](C)C1	799369300	OLSMHMMARQFCPD-RISCZKNCSA-N	316.361	1.412	50	20	DDGD	
Cc1nc(O)ccc1C(=O)NNc1cccc(F)c1[N+](=O)[O-]	791069069	DCAAZUVYXFUINE-UHFFFAOYSA-N	306.253	1.900	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCC[C@@H](C)C1	790064110	TUTNULHGTKOOTC-VXGBXAGGSA-N	300.399	1.749	50	20	DDGD	
COc1nccnc1NNC(=O)c1ncsc1C(F)(F)F	791225344	LTTVYPKWDYJFJA-UHFFFAOYSA-N	319.268	1.717	50	20	DDGD	
CC(=NNC(=O)c1ccc(N)cc1)c1ccc(N)c([N+](=O)[O-])c1	799104625	CLLBOSJURLGTGB-UHFFFAOYSA-N	313.317	1.913	50	20	DDGD	
COCC(=O)NN[C@H](C(=O)OC)c1ccc(Cl)c(Cl)c1	790535097	XJRMPNBLKFVFNY-NSHDSACASA-N	321.160	1.475	50	20	DDGD	
CN(NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C(N)=O	798301252	BCCBMHBAVASXPY-UHFFFAOYSA-N	315.289	1.312	50	20	DDGD	
Cc1noc(C)c1[C@H](C)NC(=O)NNc1nc2ccccn2n1	790359034	JZIPIQWZRWXYDK-QMMMGPOBSA-N	315.337	1.721	50	20	DDGD	
Cc1ccc2c(c1)S[C@H](C(=O)NNC(=O)N1CCOCC1)C2	1318043307	RUFOOBPLRISHDC-ZDUSSCGKSA-N	321.402	1.085	50	20	DDGD	
O=C(CCl)Nc1cc(N2CCCS2(=O)=O)ccc1F	1319683156	YMXLLOSKMVFNGS-UHFFFAOYSA-N	306.746	1.543	50	20	DDGD	
COCCN(C)NC(=O)CCc1nc(-c2ccccc2)no1	1326806084	PZKMYYCXKRZYCB-UHFFFAOYSA-N	304.350	1.279	50	20	DDGD	
CC(C)n1cc(NC(=O)NNc2nncc(N)c2Cl)cn1	1326779809	DPPNEULXRROHLF-UHFFFAOYSA-N	310.749	1.638	50	20	DDGD	
Cc1ccc(F)c(CCNC(=O)NNC(=O)C2CCNCC2)c1	1325681825	USDMJHDGXULGJX-UHFFFAOYSA-N	322.384	1.007	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ccnc(C3CC3)c2)c1Cl	1320023050	RVFOOPZPPYJNEC-UHFFFAOYSA-N	304.741	1.742	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2ccc([S@](C)=O)cc2)n1	1322323798	QJJKNCQCYWAUKJ-NRFANRHFSA-N	321.427	1.882	50	20	DDGD	
COC(=O)C(=O)NN=Cc1cc(Cl)c(OC)cc1Cl	1324395602	UGJOSMIEMBITJX-UHFFFAOYSA-N	305.117	1.625	50	20	DDGD	
CC(=NNC(=O)c1cncn1-c1ccccc1)c1ccc(O)nn1	1320814374	LTZBMAHGVMFIEW-UHFFFAOYSA-N	322.328	1.522	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2cncn2C1)c1ccccc1Cl	1327618855	KYBZLIXHONPKGC-JTQLQIEISA-N	318.764	1.560	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C[C@H]1Br	1337300580	RSVNTMJWJJNBMV-ZTVLKNOQSA-N	318.211	1.328	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)C(F)(F)C1(O)CCC1	1335826511	ZVDWXNQUQRAWSP-UHFFFAOYSA-N	308.288	1.623	50	20	DDGD	
CCNC(=O)N(C)N=Cc1ccc(N2CCN(C)CC2)c(F)c1	1337050201	KELVQALLASFPCK-UHFFFAOYSA-N	321.400	1.573	50	20	DDGD	
C[C@H]1Cc2cc(CNC(=O)NNc3ncncc3F)ccc2O1	1344439598	XDTCCOYDHLFXKG-VIFPVBQESA-N	317.324	1.765	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2CCC[C@@H]2OC)c1	1262674546	CXXHBOUIGNJTCS-KGLIPLIRSA-N	322.361	1.280	50	20	DDGD	
C[S@](=O)CCN1CCN(C(=O)C2CCC(Cl)CC2)CC1	1348974409	BSOBJHNWQJSDAE-BTYVIFEQSA-N	320.886	1.307	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)[C@@H]1CN2CCN1C[C@H]2C	1347663136	NMDMELUGMUGEHA-YPMHNXCESA-N	308.813	1.480	50	20	DDGD	
CC(C)C(=O)NNC(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1	1346085560	GZINWLBLPNFIJW-UHFFFAOYSA-N	320.324	1.112	50	20	DDGD	
Cc1cc(NCc2cccc(B(O)O)c2)ccc1N1CCCC1=O	1352825273	IRKKKQABYFVRMS-UHFFFAOYSA-N	324.189	1.414	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NC[C@@H]1CCCCCN1	1357741206	XJRHJAZDJQELJC-ZDUSSCGKSA-N	322.384	1.231	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1c(Cl)ccnc1Br	1518776292	ZTBBIZOSEHESKF-UHFFFAOYSA-N	320.574	1.915	50	20	DDGD	
O=C(O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)NNc1ccc(Cl)nn1	1602210506	BMMPOOAKGDNRHE-MMSPYSMKSA-N	322.752	1.486	50	20	DDGD	
N#Cc1ccc(NNC(=O)C2(C(=O)O)CCOCC2)cc1Cl	1605613425	ZZYOXWWEZCGVOC-UHFFFAOYSA-N	323.736	1.536	50	20	DDGD	
Cn1nc2c(c1C(=O)NNc1ccc(CC(=O)O)cc1)CCC2	1608151277	JKRDJWKXOQISJD-UHFFFAOYSA-N	314.345	1.293	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](C(=O)O)C(C)C)c(OC)c1	1604391582	RZWHDHMJYCXVLI-GFCCVEGCSA-N	324.333	1.282	50	20	DDGD	
Cc1cc(CNC(=O)NNc2cccc(C(=O)O)c2F)n[nH]1	1600202143	UIEXCORIWLKJJC-UHFFFAOYSA-N	307.285	1.382	50	20	DDGD	
C[C@H]1CCn2cc(C(=O)NNc3ncccc3C(=O)O)nc2C1	1603438622	DRDGLKHSMZHXQT-VIFPVBQESA-N	315.333	1.316	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)C23CCCN2CCC3)cc1	1602127389	PIMIJRLGSJVGBJ-UHFFFAOYSA-N	303.362	1.385	50	20	DDGD	
CC(C)C[C@]1(C(=O)NNc2cccc(C(=O)O)c2)CCNC1=O	1603782277	HEUULBGUEPDMIB-MRXNPFEDSA-N	319.361	1.380	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNc2ccc(C(=O)O)cc2F)n1	1600178946	NGIXKCMTYVDFNT-UHFFFAOYSA-N	306.297	1.481	50	20	DDGD	
CC(=NNC(=O)CCc1ccco1)c1ncc(C(=O)O)s1	1602987397	PAKICNDWOVFLBF-UHFFFAOYSA-N	307.331	1.907	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC(C)C)cc(C)c1-c1nn[nH]n1	1605622444	SCXOMDOAVXJCOJ-UHFFFAOYSA-N	316.365	1.291	50	20	DDGD	
Cc1sc(=O)n(CC(=O)NNc2cccc(C(=O)O)c2)c1C	1600865989	CLUDWWRLJKAEEL-UHFFFAOYSA-N	321.358	1.368	50	20	DDGD	
O=Cc1cc(C(=O)NNc2ccc(CC(=O)O)cc2)cs1	1609048212	JEJDYARFQRFGFJ-UHFFFAOYSA-N	304.327	1.945	50	20	DDGD	
CN1[C@H]2CC[C@H]1CC(NC(=O)NNc1cccc(C(=O)O)c1)C2	1610127600	CAVKHYXCSKWZSX-KBPBESRZSA-N	318.377	1.636	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1ccc(F)cc1F	1549317541	WRHITVLIRZDAMZ-IUODEOHRSA-N	323.343	1.668	50	20	DDGD	
CCc1cccnc1C(C)=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549320094	KKWMCQFIZPMNBU-HUUCEWRRSA-N	316.405	1.347	50	20	DDGD	
CCn1cc([C@H]2OCC[C@@H]2C=NNC(=O)c2cn[nH]c2)cn1	1552672805	PWCHHQUAVFUDKP-MFKMUULPSA-N	302.338	1.120	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@@H]2C=NNC(=O)[C@H]2CC[C@H](C)O2)cn1	1552672047	CJWVDSFLFBOUSY-CTHBEMJXSA-N	320.393	1.650	50	20	DDGD	
CC(C)C[C@@H]1COCC1=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1550193563	QBZQDUSFAPSLFM-IPYPFGDCSA-N	309.410	1.014	50	20	DDGD	
CC(C)C[C@H](CN)CC(=O)NNc1ccc(-n2ccnc2)nn1	1575638369	ZVRBVPBJUKWCLD-LBPRGKRZSA-N	317.397	1.117	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CC[C@@H](N)CC1	1576296040	XNKGZTIQHRJESH-UTUOFQBUSA-N	323.368	1.258	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1CNC(=O)NNc1ccc(C(=O)O)cc1F	1588918021	QCMINZJDADGYAD-GWCFXTLKSA-N	323.324	1.741	50	20	DDGD	
COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)C(C)C)C1	1842615599	AMMCSPONDXBLMO-LLVKDONJSA-N	302.802	1.100	50	20	DDGD	
CN(CC(=O)NNc1ncccc1C(=O)O)C(=O)OC(C)(C)C	1593719056	LHIPBKPIKBCULA-UHFFFAOYSA-N	324.337	1.090	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@H](C(=O)O)c2ccccc2)cn1	1594539773	YMOJDQAOXNVOAU-LVOZBFFPSA-N	310.313	1.269	50	20	DDGD	
C=CCC(=O)N1CC2(CCCN2C(=O)CCBr)C1	1842639746	UAOIACZXAHSURI-UHFFFAOYSA-N	315.211	1.551	50	20	DDGD	
C[C@@H](CN(C(=O)/C(C#N)=C/c1cnn(C)c1)C1CC1)C(=O)O	1592552366	WTZYQRKZWYCVLU-YIVIPITNSA-N	302.334	1.039	50	20	DDGD	
C[C@H]1CC(=NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)[C@H]1C	1590180765	JBJJNYJHBZIHPR-UWVGGRQHSA-N	314.349	1.394	50	20	DDGD	
CC[C@@H]1[C@@H](C(=O)NNc2ccc(CC(=O)O)cc2)CCN1C	1597309195	SJYXZEKOHIHTGX-UONOGXRCSA-N	305.378	1.487	50	20	DDGD	
COC1(C(=O)NNc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1	1591336201	NUXJAFZCBXIHQO-UHFFFAOYSA-N	308.729	1.142	50	20	DDGD	
C[C@@H](O)c1ncc(C=NNC(=O)c2ccc(C(=O)O)cc2)s1	1776100604	QRQLFFCFBMFMCZ-MRVPVSSYSA-N	319.342	1.659	50	20	DDGD	
CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](Cl)CC)C2)C1	1781213243	HFPOEDZEHCMYHU-SMDDNHRTSA-N	302.802	1.244	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNC(=O)c1ccccc1F	5216080	QTUBFLLICREIGG-UHFFFAOYSA-N	313.288	1.537	50	20	DDGD	
Cc1ccoc1C(=O)OCC(=O)NNC(=O)c1cccs1	16416336	CRQKNRWTXJUCQL-UHFFFAOYSA-N	308.315	1.268	50	20	DDGD	
CCNS(=O)(=O)[C@@H]1CCN(C[C@@H](C)CBr)C1	152756864	XLUCTWAHMQLBQB-VHSXEESVSA-N	313.261	1.031	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)Cc2ccccc2F)o1	153711007	CTUCCOFOQBAXNH-UHFFFAOYSA-N	320.276	1.209	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc(-c3ncn[nH]3)c2)o1	155508487	PMHIFADHXIJVHY-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
CC(C)NC(=O)N1CCC[C@H]1C(=O)NNc1ccc(C#N)cc1	155527381	WRFMLCZWFFHSJX-AWEZNQCLSA-N	315.377	1.584	50	20	DDGD	
C[C@@H]1CCC[C@@H](C(=O)NNc2nccc(N3CCOCC3)n2)C1	155578352	WPBHYNVIMWILGE-CHWSQXEVSA-N	319.409	1.583	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)nc1	157714060	ODLOGBMDXPPWKD-DGCLKSJQSA-N	306.366	1.674	50	20	DDGD	
O=C(NNc1cccc(F)c1)[C@@H]1CC(=O)N(Cc2ccco2)C1	154441936	YCYKKKWEMCEHPB-LLVKDONJSA-N	317.320	1.911	50	20	DDGD	
Cc1cnc2c(c1)N(S(=O)(=O)CCCCCl)CCO2	154883295	VOLWPZADGOYSHQ-UHFFFAOYSA-N	304.799	1.938	50	20	DDGD	
CCC(CC)[C@@H](CNS(=O)(=O)CBr)N(C)C	127369854	SRTCRCGOWULCLL-SNVBAGLBSA-N	315.277	1.625	50	20	DDGD	
O=S(=O)(N[C@@H]1CCN(C2CC2)C1)c1ccc(CCl)cc1	312337813	KEQULOUFUMDEJF-GFCCVEGCSA-N	314.838	1.940	50	20	DDGD	
CCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)CCl	859295369	JCZKGUVBQIJBTK-UHFFFAOYSA-N	300.808	1.359	50	20	DDGD	
Cc1ccc(C[C@@H]2CCCN2CC(=O)NNC(=O)C2CC2)cc1	113263840	HZIBNLVOXRNLKF-INIZCTEOSA-N	315.417	1.559	50	20	DDGD	
O=C(NC[C@@H]1CCCO1)NNc1cccc(C(F)(F)F)n1	172465125	GWOGFNCKNHPOEZ-QMMMGPOBSA-N	304.272	1.906	50	20	DDGD	
C[C@H](c1ccncc1)N(C)C(=O)NNC(=O)Cc1cccnc1	103518427	VZJDWOSXGKLSCV-GFCCVEGCSA-N	313.361	1.453	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)CCC(F)(F)F	175143233	ADOMTSXSXKEQDZ-UHFFFAOYSA-N	319.283	1.597	50	20	DDGD	
C#CCCCNC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	173323354	GCDTUMHRKPPBPP-AWEZNQCLSA-N	317.389	1.815	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCc2cc(F)ccc2F)cn1	117682384	ADKOJLNOLAKOGK-UHFFFAOYSA-N	308.288	1.092	50	20	DDGD	
O=C(CC1(O)CCCC1)NNc1nc2ccccc2c(=O)[nH]1	119494398	JEPJHGNSGUOVOX-UHFFFAOYSA-N	302.334	1.061	50	20	DDGD	
C=CCN1CCC(NC(=O)NNC(=O)c2ccccc2)CC1	171739369	GJTCTKHPHXQHOE-UHFFFAOYSA-N	302.378	1.281	50	20	DDGD	
COCCOc1cccc(C(=O)NNC(=O)OC(C)(C)C)c1	64705950	GMVYJECPBVKGEQ-UHFFFAOYSA-N	310.350	1.881	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2c(C)noc2Cl)n1	174483559	SJKJCVATVPLBGD-UHFFFAOYSA-N	311.729	1.429	50	20	DDGD	
O=C(CCC(=O)c1ccc2c(c1)CCC2)NNC(=O)C1CC1	26970643	XBPFROXNPBWKGZ-UHFFFAOYSA-N	300.358	1.696	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Cc1ccccc1OC(F)F	118335693	MFRNFEBBIIEFFB-UHFFFAOYSA-N	324.287	1.323	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)CS(=O)(=O)CC(C)C	119124508	CLRYLBVBOFLFPE-UHFFFAOYSA-N	302.371	1.648	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1cnc(Cl)cn1	178165653	BDMKIZZYWAJOJF-UHFFFAOYSA-N	315.720	1.686	50	20	DDGD	
CCOC(=O)NNC(=O)CCCOc1ccc(F)cc1F	67126147	KKVOCAJTSUKQCU-UHFFFAOYSA-N	302.277	1.901	50	20	DDGD	
CC(C)C[C@@H](C)CC(=O)NNC(=O)CNC(=O)c1ccco1	171420991	FUBWYKCYXKFVTN-LLVKDONJSA-N	309.366	1.229	50	20	DDGD	
O=C(COc1ccc([N+](=O)[O-])cc1)NNc1nccnc1Cl	114896264	UBCLYDMPLCJNPR-UHFFFAOYSA-N	323.696	1.560	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)c1ccoc1C	25414251	LGWQFCCSZXJKHL-UHFFFAOYSA-N	318.329	1.827	50	20	DDGD	
CCn1cc(NC(=O)NNC(=O)c2cccc3ncccc23)cn1	171685754	GUERHKINZGPXLJ-UHFFFAOYSA-N	324.344	1.918	50	20	DDGD	
Cc1ccc(C)c(S(=O)(=O)NNC(=O)NCc2ccco2)c1	64939874	OHFDANHISFQCKQ-UHFFFAOYSA-N	323.374	1.589	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)c(C)o1	78345886	IIKBAEBQBNIYOO-TXEJJXNPSA-N	323.393	1.157	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Nc1ccnn1C)c1ccccc1	125366124	GZYQLAWUJCKFNG-LBPRGKRZSA-N	301.350	1.767	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cccc([N+](=O)[O-])c2C)[nH]n1	182842311	NQGBGTFTKFSEGV-UHFFFAOYSA-N	318.293	1.401	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1	79225087	RYWPISHZORUHHC-CQSZACIVSA-N	318.421	1.637	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1c(C)nn(CCOC)c1C	183660264	YDMPMUAJWIGGGK-VIFPVBQESA-N	311.386	1.345	50	20	DDGD	
C=CCNC(=S)NNC(=O)C[C@H](C)c1ccc(OC)cc1	78395968	QXOJDPYFAJOHBC-NSHDSACASA-N	307.419	1.870	50	20	DDGD	
CNC(=O)c1cccc(CCNC(=O)NNc2ccccn2)c1	77586135	LFVWGDBYDUQFDU-UHFFFAOYSA-N	313.361	1.310	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CC[C@H]1Cc2ccccc2NC1=O	77220004	GPRNMNFKOGBTMK-LBPRGKRZSA-N	317.389	1.771	50	20	DDGD	
CO[C@@H](C)C(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C	79272959	XWDUCBRWGDCTPE-ZDUSSCGKSA-N	315.373	1.890	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCc2ccsc2)c1	46038191	SOAUATYSBQDCBH-UHFFFAOYSA-N	319.386	1.966	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(Cl)cc1F	49198070	UQTYXZQOCXRKIF-UHFFFAOYSA-N	303.721	1.460	50	20	DDGD	
CC[C@@H](C)[C@@H](C)NC(=O)NNC(=O)COc1ccc(C#N)cc1	194448319	KLPRVTPWCDZSPU-VXGBXAGGSA-N	318.377	1.702	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C[C@H]2CCCO2)cc1	194286107	LOBFCOFTSDQROA-CQSZACIVSA-N	306.362	1.344	50	20	DDGD	
O=C(NNc1ccccc1Cl)C(=O)Nc1ccc(F)cn1	193778530	INSCUPCZCQQKMJ-UHFFFAOYSA-N	308.700	1.956	50	20	DDGD	
Cc1cnc(NC(=O)NNC(=O)COc2ccc(F)cc2)s1	147018230	UHODGQFQYZXJKW-UHFFFAOYSA-N	324.337	1.822	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1C[C@H]1C1CC1	246582173	UHFGEZFZYDIYAL-QCZZGDTMSA-N	306.337	1.787	50	20	DDGD	
CC1CC(NC(=O)NNC(=O)Cc2cn3ccccc3n2)C1	268089630	ZXPNELKRMBBMBT-UHFFFAOYSA-N	301.350	1.006	50	20	DDGD	
N#Cc1cccc(OCCCCC(=O)NNC(=O)C2CC2)c1	264748719	LRRXQNHWEVKXNF-UHFFFAOYSA-N	301.346	1.665	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2n[nH]cc2C1)c1c[nH]c2ccccc12	362118516	OCTFNSXPNGTKGU-JTQLQIEISA-N	323.356	1.457	50	20	DDGD	
C=C(C)COc1cccc(NC(=O)C(=O)NNC(=O)C2CC2)c1	274082771	RPWRCWGEZMIKAP-UHFFFAOYSA-N	317.345	1.137	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CCCN2C2CCCC2)nc1	275462093	DKVHVMMKBDZMIN-AWEZNQCLSA-N	304.394	1.940	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2ccc(C(=O)OC)cn2)c1C	270373827	MURGGHXJAWOWJI-UHFFFAOYSA-N	317.349	1.458	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCc1c[nH]nc1C)c1ccccc1	274552890	DUKWVYPUBJFDBD-CQSZACIVSA-N	315.377	1.742	50	20	DDGD	
Cc1nnc(CNC(=O)[C@@H](Br)C(C)(C)C)n1C	274312013	ARJJKPGYWHHWLB-SECBINFHSA-N	303.204	1.549	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CC23CCOCC3)nc1	372268208	WIBPQRKYLNHHBS-NSHDSACASA-N	305.334	1.128	50	20	DDGD	
CO[C@H](CNC(=O)OC(C)(C)C)C(=O)NNc1cccc(C)c1	289891758	RZOPNOQAMYFFDW-CYBMUJFWSA-N	323.393	1.978	50	20	DDGD	
COCC1(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)CCC1	289012691	JGWKVBLAUDGJLQ-UHFFFAOYSA-N	313.304	1.934	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ncccc1Br	281181682	LYGZIBJSCYMSAA-UHFFFAOYSA-N	301.144	1.150	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1cccc2c1OC(C)(C)C2	374492255	MOKDBABCZJYRFG-UHFFFAOYSA-N	314.363	1.340	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@H]1O[C@@H](C)C[C@@H]1C	282765869	UNJZNNQHWJEYBK-ZIBATOQPSA-N	322.361	1.035	50	20	DDGD	
O=C(CCCc1ccccc1Cl)NNC(=O)[C@@H]1CCCO1	292091751	GYDFCPSTUZSNNW-ZDUSSCGKSA-N	310.781	1.989	50	20	DDGD	
CCc1nc2ccc(Cl)cn2c1C(=O)NNC(=O)C(C)(C)O	292732694	DQXMVJGPZGZXOG-UHFFFAOYSA-N	324.768	1.082	50	20	DDGD	
O=C(NNC(=O)C1CC1)C(=O)Nc1cccc(-c2ccccc2)c1	806973102	ZPDXWAUJSNSXRS-UHFFFAOYSA-N	323.352	1.850	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1CCC[C@@H]1CCCF	800808906	UOYSTPQOTZDGDA-UONOGXRCSA-N	313.417	1.977	50	20	DDGD	
CN(NC(=O)Cn1ccc(C(F)(F)F)n1)C(=O)OC(C)(C)C	297669064	NQLOCVFHIPZUHY-UHFFFAOYSA-N	322.287	1.800	50	20	DDGD	
C=C(CBr)COC(=O)C(=O)N1CCC[C@@H](C)C1	805558416	JKWBGSBHYWABSP-SECBINFHSA-N	304.184	1.739	50	20	DDGD	
COc1cccc2c(C(=O)NNc3nc(C)cc(C)n3)n[nH]c12	809572350	MFARYVFWMNXGOH-UHFFFAOYSA-N	312.333	1.735	50	20	DDGD	
C#Cc1cncc(C(=O)NNc2nnc(-c3ccccn3)s2)c1	807366414	BKFWNRIVHDXQOB-UHFFFAOYSA-N	322.353	1.733	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1ccnc2c1nnn2C	801176241	SSPLDOVMHAQQKV-UHFFFAOYSA-N	300.297	1.568	50	20	DDGD	
C=C(CBr)COC(=O)c1ccoc1CC(N)=O	803940183	OGEIKANOZIKAPP-UHFFFAOYSA-N	302.124	1.415	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)C(=O)c1ccc(O)cc1	807426244	KXXIFXQPQKYBAX-UHFFFAOYSA-N	308.297	1.661	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1cnnn1-c1ccccc1	807972702	ICPOCEWFAFKREL-UHFFFAOYSA-N	309.333	1.155	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1ccc(N)nc1	807947856	LTFGQANDQVEZLK-UHFFFAOYSA-N	300.318	1.202	50	20	DDGD	
Cc1ccc2c(c1)CC[C@H](C(=O)NNc1ncncc1F)O2	294176024	WNAZKIPUDDUGBB-CYBMUJFWSA-N	302.309	1.761	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)C(C)(C)O)c2ccccc21	802711965	FFYZTIXDOMPDBU-ZDUSSCGKSA-N	318.373	1.718	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H](C)n2cccn2)cc1	802054280	FHMPTXKHLQBJGK-JTQLQIEISA-N	303.322	1.306	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cnc(C(F)(F)F)c(C#N)c1	814734064	AIMAPDDLCHZUNC-UHFFFAOYSA-N	300.240	1.389	50	20	DDGD	
Cc1c(NNC(=O)c2cnn3c2OCCC3)cccc1[N+](=O)[O-]	815855510	WSBGOEUNCJYWIE-UHFFFAOYSA-N	317.305	1.639	50	20	DDGD	
CNC(=O)NN=C(C)c1nnn(-c2cccc(Cl)c2)c1C	814814531	ODQLTAUMESWPBJ-UHFFFAOYSA-N	306.757	1.882	50	20	DDGD	
O=C(NN=C1COCCOC1)c1cnn(-c2ccccc2)c1	814848723	QIEBSJYKKMGHOA-UHFFFAOYSA-N	300.318	1.005	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1nc2c(s1)CCC2	814762444	AIWMZYBYBIOSDP-NSHDSACASA-N	322.434	1.050	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@H](C)NC(=O)CC)cc1C	812722018	IJOUWYAMCBKAMI-NSHDSACASA-N	321.377	1.530	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1cnn(C(C)(C)C)c1C	814957911	UEGROHDUCLBYLZ-UHFFFAOYSA-N	302.382	1.753	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)COc1ccccc1C#N	811632776	CRKNYGCKDPAHKY-CYBMUJFWSA-N	314.345	1.098	50	20	DDGD	
COc1cc(Cl)cc(C(=O)NNC(=O)N=c2cc[nH]cc2)c1	816596369	ZBTOWVCMVLYZSV-UHFFFAOYSA-N	320.736	1.632	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)Cn1ccc2ccccc21	812499506	LHBVZBOSJBFXFD-OLZOCXBDSA-N	317.389	1.707	50	20	DDGD	
CSc1cccc(NC(=O)C(=O)NNc2ncncc2F)c1	815765458	RICDVHUQVVUQPO-UHFFFAOYSA-N	321.337	1.419	50	20	DDGD	
O=C1CCCCC[C@@H](C(=O)NNC(=O)N=c2cc[nH]cc2)C1	813574388	WFTCJQLJTGEPSV-LLVKDONJSA-N	304.350	1.196	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cccc(Cl)c1)CC(C)(C)C#N	814670513	WMJLKAUPPAQICI-UHFFFAOYSA-N	322.796	1.583	50	20	DDGD	
Cn1ccnc1CNC(=O)NNC(=O)c1cccc(Cl)c1	728752615	JKDRGJOVDPCCFR-UHFFFAOYSA-N	307.741	1.218	50	20	DDGD	
Cn1nccc1/C=C(/C#N)C(=O)c1cccc(-c2nn[nH]n2)c1	826366790	XUUYJJJLQVOZON-WQLSENKSSA-N	305.301	1.390	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@H](C(F)(F)F)[C@@H]1C	827276227	YVOSSCUSZKZTHL-XKNYDFJKSA-N	323.315	1.425	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@@H]1Cc2ccccc21	825884718	FIFFLNBNOOUEAI-DRZSPHRISA-N	303.362	1.082	50	20	DDGD	
CCCN(CC(=O)NNC(=O)C(C)C)Cc1ccccc1O	827938817	TYPDJJZRWPWFBT-UHFFFAOYSA-N	307.394	1.408	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)C(C)(C)Oc1cccc(Cl)c1	823959728	OJEFVSAWFUFGJK-SNVBAGLBSA-N	300.786	1.841	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1CC(=NNC(=O)C(C)(C)O)C1(C)C	496544932	CWRRYUYOIKNGCG-SECBINFHSA-N	313.398	1.553	50	20	DDGD	
CC(C)NC(=O)NNC(=O)C1(NC(=O)OC(C)(C)C)CCC1	496178700	NMXDIHXNRWEDCK-UHFFFAOYSA-N	314.386	1.173	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccccc1OC(C)C	495327267	XHZMCAPZIDYYNN-UHFFFAOYSA-N	309.322	1.190	50	20	DDGD	
CCN(CCO)NC(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1	823874019	KLOLMSADGMFADY-LLVKDONJSA-N	312.797	1.894	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1C(=O)OCC(=O)NNC(=O)c1cccs1	820939902	OAGNRFUTKSOHOK-MNOVXSKESA-N	324.402	1.879	50	20	DDGD	
CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)C1CC1	490894806	UJDAXPGSDPCWID-LLVKDONJSA-N	311.382	1.333	50	20	DDGD	
Cc1c(C#N)cccc1NC(=O)C(=O)NNC(=O)OC(C)(C)C	495409398	XXKYLMVIXLMUNS-UHFFFAOYSA-N	318.333	1.361	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H]1CCCC(=O)N1C	907966549	DAVBZSGANMJISC-GFCCVEGCSA-N	304.350	1.159	50	20	DDGD	
CC(C)N(CC(=O)NNc1ncccn1)C(=O)OC(C)(C)C	820935422	TWGHRWXQUYMVSK-UHFFFAOYSA-N	309.370	1.565	50	20	DDGD	
Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2cccc(B(O)O)c2)cc1C	584912226	QGKHKOHZJCFEST-DLBZAZTESA-N	309.174	1.725	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCCOc3c(F)cccc32)cc1	585033671	IXCKLCWNMUBWEM-INIZCTEOSA-N	315.153	1.509	50	20	DDGD	
C[C@]1(C(=O)NCCO[C@@H]2CCCCO2)C[C@H]1Br	908311105	QIZOJUGQHHNQJT-FOGDFJRCSA-N	306.200	1.819	50	20	DDGD	
CCc1cc(C(=O)NNc2ccccc2C(=O)OC)n(C)n1	821719802	HCJRJRYITUSBTE-UHFFFAOYSA-N	302.334	1.526	50	20	DDGD	
Cc1ccc(NCc2ccc(B(O)O)o2)cc1O[C@@H]1CCOC1	585012288	SMSSBSKAOGLMRP-CQSZACIVSA-N	317.150	1.048	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1cccc(N2CCOC2=O)c1	495700794	QMOQGNPCAKXRPO-UHFFFAOYSA-N	316.292	1.934	50	20	DDGD	
C[C@@]1(C(=O)NCC2(S(C)(=O)=O)CCC2)C[C@@H]1Br	907884916	GYRWNTWVJNENDN-WCBMZHEXSA-N	324.240	1.243	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C	494969845	HKXFPXYVLWBSCW-JTQLQIEISA-N	314.386	1.078	50	20	DDGD	
O=S(=O)(Cc1ccc(C(F)F)cc1)N1CC[C@H](B(O)O)C1	585056605	RFRXBROEHCOERC-NSHDSACASA-N	319.138	1.003	50	20	DDGD	
CCO[C@H](CC(=O)NNc1cccc(-c2nn[nH]n2)c1)C(C)C	825577488	XLRAKRZPECVTKK-CYBMUJFWSA-N	318.381	1.761	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)NNc1cccnn1	495152113	CQOLZJYCQRNPJZ-LLVKDONJSA-N	321.381	1.709	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)c2cc(-c3nn[nH]n3)cn2C)c1	826264685	WRLZWERQBUWLGK-UHFFFAOYSA-N	311.349	1.579	50	20	DDGD	
Cc1cnc(O)n1-c1ccc(C(=O)NNC(=O)C2CCC2)cc1	732141985	QEHRUVOHUWTDOM-UHFFFAOYSA-N	314.345	1.447	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccccc2NC(=O)O)cc1	739102082	QVYFKYAFPCYKTH-UHFFFAOYSA-N	324.296	1.723	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@@H]1CC[C@H](C(F)(F)F)C1	584914281	UMMKWZHOGNDFSX-BDAKNGLRSA-N	301.073	1.284	50	20	DDGD	
CCN1CC[C@H](N(C)C(=O)/C(C#N)=C/c2cnn(C)c2)C[C@H]1C	491103658	LJXFVRSBPFKOJV-SCNXCLFWSA-N	315.421	1.658	50	20	DDGD	
CC(C)C[C@@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1	584957334	FKPGBFZNIIWVHZ-LBPRGKRZSA-N	307.174	1.404	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc3c(s2)CCC3)nn1	737766595	STMKPKIENLGWTC-UHFFFAOYSA-N	318.358	1.110	50	20	DDGD	
CCn1cc(C=NNC(=O)CCc2ccc(OC)cc2)cn1	732528521	NQXNEQMLHZTEQF-UHFFFAOYSA-N	300.362	1.995	50	20	DDGD	
Cc1nnc(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)s1	491080977	FUTFIIFTDFUVBN-WDZFZDKYSA-N	300.343	1.776	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNc1cccc(C(=O)OC)c1F	837060866	GGYRYULJPPUGEW-UWVGGRQHSA-N	312.341	1.974	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1	732133267	UULBJGSFWVZAPG-NSHDSACASA-N	316.317	1.878	50	20	DDGD	
CCOCCO[C@H]1CCN(C(=O)[C@]2(C)C[C@H]2Br)C1	907099523	ALBCXFICPVZEJV-DMDPSCGWSA-N	320.227	1.814	50	20	DDGD	
C[C@H](NCc1cccc(B(O)O)c1)[C@H](c1ccccc1)N(C)C	585036321	HLWIYUHTWUNQNJ-KBXCAEBGSA-N	312.222	1.147	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)/C=C\c1ccc(C=O)cc1	900000976	AVAFBIUASLHELQ-HJWRWDBZSA-N	305.403	1.806	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H](NC(=O)NNc2c(F)cccc2Cl)C1	838727627	JOODFWLSHJFUNG-SFYZADRCSA-N	314.748	1.759	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1)c1cccc(Cl)c1	833149301	MAZFVOSFGMYRTH-MWLCHTKSSA-N	324.764	1.992	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)c1ccc(Cl)cc1	837306661	DLTAZBAKDOKMFY-XXILOJSOSA-N	306.749	1.716	50	20	DDGD	
CCO[C@H]1CCCC(=NNC(=O)CNC(=O)c2ccco2)C1	905444590	IQGAYTJSYKXEMS-LBPRGKRZSA-N	307.350	1.461	50	20	DDGD	
COC(=O)[C@@H](C)CS[C@H](C)C(=O)NNC(=O)CC(C)C	734980892	CLTUWNPHVFFWOI-VHSXEESVSA-N	304.412	1.111	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2ccc(CN)cc2)n1	831306908	NJAPCUZDJZBYTN-UHFFFAOYSA-N	316.365	1.079	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNc1cccc(Br)n1	837211779	KEHYDABSJKYABT-UHFFFAOYSA-N	316.155	1.629	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)c2cccc(N(C)C)c2)n1	834923944	HCJCNSSIZOHXLQ-UHFFFAOYSA-N	300.366	1.436	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H]2CC23CCNCC3)cc1	831173853	SGNJLYWSLFRXJR-AWEZNQCLSA-N	316.405	1.335	50	20	DDGD	
CCC1(c2ccccc2)CN(C(=O)c2cccc(B(O)O)c2)C1	584997458	CNJBQJFIQMUBRK-UHFFFAOYSA-N	309.174	1.170	50	20	DDGD	
C[C@](O)(CC(=O)NNc1ccc(C(=O)O)cn1)c1ccccc1	833524795	NBOWJXQCYXMTIR-INIZCTEOSA-N	315.329	1.521	50	20	DDGD	
Cc1c(Cl)cncc1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	831840700	RBPVPGULIMFVPX-BDAKNGLRSA-N	312.757	1.621	50	20	DDGD	
CN(C)CCOc1ccc(C=NNC(=O)c2cnn(C)c2)cc1	735410921	COUNHZSYDTYZKZ-UHFFFAOYSA-N	315.377	1.124	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1cccc(C(=O)N(C)C)c1	901259043	NYJNZZORLQUTCM-RISCZKNCSA-N	303.362	1.264	50	20	DDGD	
CCc1oc2ccccc2c1C=NNC(=O)C(=O)NC(C)C	730552335	KVDKKXRXSOCDNM-UHFFFAOYSA-N	301.346	1.970	50	20	DDGD	
CC(=NNC(=O)C(=O)NC(C)C)c1cc(F)c(F)c(F)c1	730432958	CZIHWAVUFJYHLG-UHFFFAOYSA-N	301.268	1.469	50	20	DDGD	
Cc1noc(C)c1N(C)CC(=O)NNC(=O)c1ccc(F)cc1	839521460	NTRQVUVDRHGVAG-UHFFFAOYSA-N	320.324	1.328	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCC[C@H]2Oc2ccccc2)cc1	585023433	LBDVRJFIGMUSFW-QZTJIDSGSA-N	311.190	1.456	50	20	DDGD	
CC(C)c1ocnc1C(=O)NNC(=O)COc1ccc(F)cc1	732053948	LZNFLXHOCDJHIC-UHFFFAOYSA-N	321.308	1.777	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CC[C@H]2CCOC2)c1F	837059972	CZQKXMFJXILJAX-JTQLQIEISA-N	310.325	1.872	50	20	DDGD	
COc1ccccc1OCCNC(=O)NNC(=O)C1CCC1	732235044	CRBQKOFBCBITDX-UHFFFAOYSA-N	307.350	1.205	50	20	DDGD	
NC(=O)NN=Cc1cccc(OCc2ccccc2C(=O)O)c1	731560618	WGUJLTQQZIHQAY-UHFFFAOYSA-N	313.313	1.966	50	20	DDGD	
COC1(C(=O)NNc2cccc(Br)n2)CCC1	837211615	GUUBJDALQDQPCO-UHFFFAOYSA-N	300.156	1.856	50	20	DDGD	
O=C(CCCn1c(=O)oc2ccccc21)NNC(=O)C1CCC1	732140901	ANTSZQWYVKRGTQ-UHFFFAOYSA-N	317.345	1.322	50	20	DDGD	
Cc1cccc(C)c1OCCC(=O)NNC(=O)[C@H]1CCCCO1	833779730	XZADQCWLHMYARZ-CQSZACIVSA-N	320.389	1.789	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc2cccnc2s1	833236034	OLHGEUOUBWSTFT-JTQLQIEISA-N	305.359	1.626	50	20	DDGD	
C[C@@]1(C(=O)N2CCc3cnc(N)nc3C2)C[C@@H]1Br	912470984	WWEGBHWUQBNHFX-JOYOIKCWSA-N	311.183	1.117	50	20	DDGD	
O=C(COCCc1ccccc1)NNc1ncnc2[nH]cnc12	743471553	NXIVWCDEQITCDO-UHFFFAOYSA-N	312.333	1.055	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCN1CCCc2ccccc21	749213618	KQFATYAFQTYZPH-UHFFFAOYSA-N	318.421	1.816	50	20	DDGD	
Cc1nn(C(C)C)c(C)c1CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843661827	QIYONIPTULFZOU-QWHCGFSZSA-N	322.409	1.196	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCc1ccc2ccccc2n1	917360167	BUWNBGJXLMZHAQ-UHFFFAOYSA-N	314.414	1.849	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)s1	749332350	WAKSXKDXKIOFEL-UHFFFAOYSA-N	315.310	1.423	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cccc(OCCC(=O)O)c1	842554058	IJKQFTJSPIQDNW-SMDDNHRTSA-N	320.345	1.415	50	20	DDGD	
COc1cccc(CNC(=O)NNC(=O)C2CCCC2)c1OC	918233370	CYOZVZPWFZUHSI-UHFFFAOYSA-N	321.377	1.724	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1ccc2c(c1)CNCC2	841304636	UUNHPYLUESOLGZ-UHFFFAOYSA-N	313.361	1.137	50	20	DDGD	
O=C(NN=C/C=C/c1ccccc1[N+](=O)[O-])C(=O)N1CCCC1	748137393	CXJCGTUOGUGTEB-JQVRKROHSA-N	316.317	1.332	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)c2ccccc2O1	744400713	MWQIVAJMEUUDCS-LLVKDONJSA-N	305.378	1.467	50	20	DDGD	
O=C(CCCOc1ccccc1F)NNC(=O)c1ccc[nH]1	918280118	UDWBUSMPDUQJPZ-UHFFFAOYSA-N	305.309	1.774	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCC1(N)CCC1)c1ccccc1	841969298	JNEBVSCIZCWVJL-ZDUSSCGKSA-N	304.394	1.392	50	20	DDGD	
COc1cc2c(cc1F)C(=NNC(=O)[C@H]1CCO[C@@H]1C)C(=O)N2	842549838	RQHASFUVHJTAQM-SFYZADRCSA-N	321.308	1.032	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cc(Cl)ccc1O)[C@@H](C)O	842223802	FEIRZSIFKAOAPS-VXNVDRBHSA-N	300.742	1.214	50	20	DDGD	
CCOc1ccc(C=NNC(=O)[C@@H](C)OCCOC)cc1OC	748254153	WAEQRGDVDPQREH-GFCCVEGCSA-N	324.377	1.596	50	20	DDGD	
N#Cc1ccc(C(=O)NN=Cc2ccc([N+](=O)[O-])c(O)c2)cc1	748133705	ORHXESZEPTYBKR-UHFFFAOYSA-N	310.269	1.936	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCOc1ccc(F)cc1Cl	910170097	JYXGWDBKUNNFDI-SECBINFHSA-N	304.749	1.592	50	20	DDGD	
COC/C(C)=C\C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	845086818	DHHMAMQRDAINGM-FPAJZGIOSA-N	320.389	1.811	50	20	DDGD	
O=C(NCc1nccs1)NNC(=O)c1cc2c(s1)CCC2	918219555	PUXCVZUUCBGDLP-UHFFFAOYSA-N	322.415	1.838	50	20	DDGD	
Cc1csc(CCCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n1	843970665	JDRPHYDIAICTRV-MNOVXSKESA-N	311.407	1.347	50	20	DDGD	
O=C(NN=Cc1cnc2cnccn12)c1ccc2c(c1)OCCO2	746369313	QXRIZCGNNFKRHC-UHFFFAOYSA-N	323.312	1.264	50	20	DDGD	
CN(C)[C@H](CC(=O)NNc1ncc(F)cn1)c1ccccc1	841413107	WSODPYMPKMYUIN-CYBMUJFWSA-N	303.341	1.752	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H](Br)C(C)(C)C	843979517	OTEIKYWCBATCTQ-YIZRAAEISA-N	321.215	1.368	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)[C@@H]1CCc2nncn2C1	928337271	NWFBWJMYAUOXJK-SNVBAGLBSA-N	305.769	1.946	50	20	DDGD	
CO[C@H]1c2ccccc2C[C@H]1NC(=O)NNC(=O)CC(C)C	840406427	JUQBGACMJYRXMX-HIFRSBDPSA-N	305.378	1.675	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1ccc(N(C)CCC#N)cc1	842552837	CDPJTAGKPIXHMF-CJNGLKHVSA-N	314.389	1.912	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C1CC(F)(F)C1	753567014	ZAUXEYJWUHBIAT-MRVPVSSYSA-N	316.279	1.786	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCN(C(C)(C)C)C2)n1	852293110	JBCDCLPLXBRPSE-GFCCVEGCSA-N	319.409	1.207	50	20	DDGD	
C#CCNC(=S)NNC(=O)COc1ccc2ccccc2c1	758189292	CGCSFOYAYYOXNR-UHFFFAOYSA-N	313.382	1.347	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N[C@H](C)c1cccc(O)c1	759692612	HNLPTCWCZHZJLG-NEPJUHHUSA-N	307.394	1.625	50	20	DDGD	
C[C@](O)(Cc1ccccc1)C(=O)NNC(=O)OCC(F)(F)F	856020952	AHLJHWYUXKKXCG-LBPRGKRZSA-N	320.267	1.300	50	20	DDGD	
O=C(Cn1cc(C2CC2)cn1)NNc1ccc(F)c([N+](=O)[O-])c1	857182832	PRCWMLVOYAJVAL-UHFFFAOYSA-N	319.296	1.951	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CC(C2CCC2)C2CCC2)cn1	859447323	NYMQKHICAOSQGZ-UHFFFAOYSA-N	304.394	1.788	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21	859198886	HXGZJQATCBPIBV-HYVNUMGLSA-N	307.353	1.357	50	20	DDGD	
C[C@]1(CNC(=O)NCCCn2cccn2)C[C@@H]1Br	856824691	MHNBVVKSVUQJQE-CMPLNLGQSA-N	315.215	1.746	50	20	DDGD	
O=C(CCc1ccncn1)NNc1ccnc(Br)c1	757599698	VKRXNSMSYZSZKG-UHFFFAOYSA-N	322.166	1.710	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C/C=C/c1ccc(F)cc1F	758083367	JGPWRZORGCOJNZ-QWKORFERSA-N	307.300	1.702	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)Cc1cccs1	854279581	DVDLWKKNBSOXEA-UHFFFAOYSA-N	301.437	1.165	50	20	DDGD	
COCCCOCCC(=O)NNc1nc(O)c2ccccc2n1	857152147	XGCCQJQWMGYRRY-UHFFFAOYSA-N	320.349	1.222	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccn(Cc2ccccn2)n1	756648705	YPWKBBFTYFSHCZ-NSHDSACASA-N	316.365	1.525	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2ccc(Cl)cc2F)CCOC1	754327878	VYYWNMVRZDGVSH-ZDUSSCGKSA-N	300.717	1.667	50	20	DDGD	
CNC(=O)C(C)(C)CNC(=O)NC[C@]1(C)C[C@H]1Br	856841911	BMVKZMLCMLWAGC-PELKAZGASA-N	320.231	1.231	50	20	DDGD	
NC(=O)CC1(CNC(=O)NNc2ccc(F)cc2Cl)CC1	922929651	CIKGDMQZAFKKHT-UHFFFAOYSA-N	314.748	1.761	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NC[C@@]1(C)C[C@@H]1Br	857690351	RUEVPZICRJVKFX-NTZNESFSSA-N	317.227	1.677	50	20	DDGD	
C[C@]1(CNc2ncnc(-n3cccn3)c2N)C[C@H]1Br	856788069	UTOAWSWKRRTAPJ-PRHODGIISA-N	323.198	1.830	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)OCC(F)(F)F)nn1C	856021138	HUJBUNHTGYKECT-UHFFFAOYSA-N	308.260	1.477	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1c[nH]nc1-c1ccoc1)C1CC1	855097379	OYIBVOFHHTXFOZ-QMMMGPOBSA-N	319.390	1.577	50	20	DDGD	
CC(C)(C)Sc1cc(C(=O)NNC(=O)c2cc[nH]n2)ccn1	855356443	MDUHAJVRWKJMRX-UHFFFAOYSA-N	319.390	1.770	50	20	DDGD	
CN1CCCC(=NNC(=O)c2nnc(-c3ccccc3)o2)CC1	758115388	CRUGSJDAOMYFHN-UHFFFAOYSA-N	313.361	1.938	50	20	DDGD	
C=C[C@@](C)(O)C(=O)NNC(=S)Nc1ccc(OCC)cc1	854189891	YUICYULPUGWUCT-CQSZACIVSA-N	309.391	1.340	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2CCc3cncn3C2)C[C@H]1Br	857387211	FWRRLKLLMNJTNQ-UFGOTCBOSA-N	312.211	1.735	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccn(C2CCCC2)n1)C1CC1	855098885	NMGCDGCTCNNWIA-SNVBAGLBSA-N	321.450	1.906	50	20	DDGD	
CC(C)(C)n1nnc(CNC[C@]2(C)C[C@H]2Br)n1	856809910	RRUDFWGLNXBEFS-KCJUWKMLSA-N	302.220	1.691	50	20	DDGD	
CCN(CC)c1ccc(C(=O)NNC(=O)c2ccnnc2)cc1	756758883	UHHIOUFTYLZUOD-UHFFFAOYSA-N	313.361	1.398	50	20	DDGD	
CCOC(=O)NC1CCC(=NNC(=O)[C@H]2CCCCO2)CC1	853353213	UMLCNNGXGPLOQE-GLGOKHISSA-N	311.382	1.716	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)NCC1CC(C)C1	856817709	JLYPYGURCYTDJS-UHFFFAOYSA-N	321.377	1.451	50	20	DDGD	
COc1nccnc1NNC(=O)CSc1nc(C)cc(C)n1	764465468	XYFRSFASFVADDJ-UHFFFAOYSA-N	320.378	1.127	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1	764605400	NSBHHZLHIHMQDO-JTQLQIEISA-N	305.161	1.830	50	20	DDGD	
C[C@@H](NNC(=O)[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C)C(F)(F)F	862323138	QFAMURKKEKMXMO-PRJMDXOYSA-N	311.304	1.471	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cccnc1OCC(F)F	761146988	KYEJTSBWBWZBTJ-UHFFFAOYSA-N	314.292	1.080	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccccc1CC(C)C	869906484	MLACJCAXUODALG-UHFFFAOYSA-N	308.378	1.309	50	20	DDGD	
C[C@H](NNC(=O)c1ccc2nnc(S)n2c1)C(F)(F)F	862319324	BHYCGJSQKOWRHA-YFKPBYRVSA-N	305.285	1.203	50	20	DDGD	
Cc1cc(C(=O)NN[C@@H](C)C(F)(F)F)ccc1-n1cncn1	862311113	JPGHRMZDIGYIPA-VIFPVBQESA-N	313.283	1.761	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=Cc1cccnc1N	764668931	VYJDVDKDSUUPSB-JTQLQIEISA-N	302.309	1.721	50	20	DDGD	
CCc1cc(NNC(=O)c2cnco2)nc(-c2ccccn2)n1	760133381	PNWMBSNHVVTDRQ-UHFFFAOYSA-N	310.317	1.846	50	20	DDGD	
CCNC(=O)NN=Cc1c(C)nn(CC(=O)OC(C)C)c1C	768359158	AKYJXOQNAFIVLX-UHFFFAOYSA-N	309.370	1.105	50	20	DDGD	
CCC[C@@H](C(=O)NNC(=O)CN(C)C)c1cccc(Cl)c1	863864571	LMWUEFXFWLRSSJ-CYBMUJFWSA-N	311.813	1.933	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cc(-c2ccccc2)ns1	768256461	QCUZGPLJLVZEBX-UHFFFAOYSA-N	305.359	1.342	50	20	DDGD	
CCCCC[C@H]1CCCN1C(=O)c1cc(B(O)O)ccc1F	863875968	JYMLNLORFLFKDG-ZDUSSCGKSA-N	307.174	1.690	50	20	DDGD	
O=C(Cc1cncn1Cc1ccccc1)NNc1ncccn1	764148870	GDRUPOLOWDLNOI-UHFFFAOYSA-N	308.345	1.407	50	20	DDGD	
Cc1cc(Cl)cc(C(=O)NNc2ccc(C(N)=O)nn2)c1	764324804	SDBNRUPYDPUETJ-UHFFFAOYSA-N	305.725	1.294	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)CC1OCCO1	873854089	RIVIOJOYHVIZAZ-UHFFFAOYSA-N	323.418	1.638	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C=NNC(=O)C2CCOCC2)c1C	1119362022	WDFIBWIPBMIBAA-UHFFFAOYSA-N	321.377	1.685	50	20	DDGD	
CCOc1nc(C(=O)NNC(=O)c2ccccc2OC)co1	772941847	QNVUCIXSZKGVPH-UHFFFAOYSA-N	305.290	1.157	50	20	DDGD	
CC(=O)N1CCC(CNC(=O)NNc2cccc(C)n2)CC1	875244414	XKSUAKFEBWXGMW-UHFFFAOYSA-N	305.382	1.275	50	20	DDGD	
Cn1cccc1CNC(=O)NNc1cccc(S(C)(=O)=O)c1	776622991	FANNSIJEJMXLQH-UHFFFAOYSA-N	322.390	1.255	50	20	DDGD	
COC[C@](C)(O)C(=O)NNc1ccc(Br)c(F)c1	771691140	PMESCLQCINKAJA-NSHDSACASA-N	321.146	1.429	50	20	DDGD	
Cc1cc(=NNC(=O)NCc2ccc([C@@H](C)O)cc2)cc[nH]1	875190618	RICZLOMLKNDQCF-GFCCVEGCSA-N	300.362	1.692	50	20	DDGD	
CNC(=O)c1cc(NC(=O)NN(C)C(=O)OC)ccc1Cl	878345527	SXYVZQLPZNBWSP-UHFFFAOYSA-N	314.729	1.434	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)Cc2ccoc2)cc1	772574749	MQGKZSBXTPVAPC-UHFFFAOYSA-N	316.313	1.135	50	20	DDGD	
O=C(NCc1cccnn1)NNc1ccc(OC(F)F)cc1	775038580	WQTJSVCKJZLGFN-UHFFFAOYSA-N	309.276	1.904	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1cnc(Cl)cn1	770414477	DDOVIASCXBXLPO-UHFFFAOYSA-N	317.696	1.332	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1ccc2c3c(cccc13)CC2	872332159	HHQGHPOBGZVWPC-UHFFFAOYSA-N	304.371	1.658	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(C(C)=O)c(C)nc1C	887146915	POHFANDNYZNGIP-UHFFFAOYSA-N	301.346	1.466	50	20	DDGD	
CCN(C)c1ccc(C(C)=NNC(=O)NCC(=O)OC)cc1	779818599	SRMNEOVOGSVMOA-UHFFFAOYSA-N	306.366	1.339	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cn(C)nc2-c2ccccc2)n[nH]1	771550416	IIBGRSXWAMDPSS-UHFFFAOYSA-N	322.372	1.811	50	20	DDGD	
O=C(NNS(=O)(=O)c1cccc(Cl)c1)C1CCOCC1	882805963	DKCQFMLVPUCWRW-UHFFFAOYSA-N	318.782	1.076	50	20	DDGD	
CN(C)C1CCC(NC(=O)NNc2ccc(C#N)cn2)CC1	889256512	YLDYKTHHFDYOOU-UHFFFAOYSA-N	302.382	1.452	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)C1CCOCC1)c1ccc(F)cc1	883061624	ARIYYGYBVVQZKK-NSHDSACASA-N	308.353	1.893	50	20	DDGD	
C[C@@H]1[C@@H](C)N(S(=O)(=O)CCCCCl)[C@H](C)C(=O)N1C	882869835	RATIMOTZLVMICN-GMTAPVOTSA-N	310.847	1.275	50	20	DDGD	
O=C(CS(=O)(=O)C1CCCC1)NNc1ccc(F)c(F)c1	885111088	RQZOTZLQWALJIM-UHFFFAOYSA-N	318.345	1.765	50	20	DDGD	
CCOc1cc(NC(=O)C(=O)NNc2ccccn2)ccc1C	784798124	PAJTUVQGBCEKKQ-UHFFFAOYSA-N	314.345	1.871	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@]2(C)CCCO2)c1	780842811	MWJODHYQSFVIOU-OAHLLOKOSA-N	307.350	1.668	50	20	DDGD	
O=C(CSCc1ccncc1)NNc1ncncc1Cl	781818626	CUGPUSVREXYJBT-UHFFFAOYSA-N	309.782	1.902	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)c2cc3ccccc3cc2O)CO1	784764653	JKAHXZRCKKCCGX-ZWNOBZJWSA-N	314.341	1.731	50	20	DDGD	
C[C@H](c1ccccc1)[C@H](CO)NS(=O)(=O)CBr	782465043	VCDKUPNTFBLDPR-KOLCDFICSA-N	322.224	1.423	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2ccccn2)ccc1F	782092234	DHKQAZMSGWUOAI-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnc(-c2cccnc2)s1	780708907	KLUKMOIJVYBLEA-UHFFFAOYSA-N	305.363	1.511	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(-n3cccn3)nc2)nc1	781515609	FWGRIVJOACQNPQ-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C/c1ccc(N2CCN(C)CC2)cc1	786043279	VXEODELNGOGKJA-FOWTUZBSSA-N	319.430	1.738	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1c(F)cccc1F	788174881	NSDGQUGSTQHQQR-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
CN1CC[C@@H](C(=O)NNC(=S)NC(C)(C)C)c2ccccc21	899996892	XSMVSLSTYAPKBS-GFCCVEGCSA-N	320.462	1.904	50	20	DDGD	
CCOc1ccc(OS(=O)(=O)CBr)c(C=O)c1	782398151	HBTLGVUFQIVPCA-UHFFFAOYSA-N	323.164	1.959	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)CCc2ccc(O)nc2)o1	787267289	NTHHAMDIJRVXES-UHFFFAOYSA-N	315.333	1.846	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=CCC2CCOCC2)c1	788712647	XERJTYASMFBROH-UHFFFAOYSA-N	324.402	1.622	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCCOC[C@@H]1CCOC1	791027103	WNMOTZDKVLKCNX-ZDUSSCGKSA-N	308.382	1.459	50	20	DDGD	
COC(=O)c1ccc(/C=C(\C#N)C(=O)NC2CCCC2)n1C	899346674	SPULETPQXFUKDT-PKNBQFBNSA-N	301.346	1.777	50	20	DDGD	
COC1(CC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)CCC1	791515997	WTAKZFINVVHDSO-NSHDSACASA-N	314.382	1.071	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(-c2cc[nH]n2)s1	798305187	VFJWGFLPLVZGQU-UHFFFAOYSA-N	307.404	1.433	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccccc1-c1nc(C)no1	798306013	PRBUMDUUKPMLRN-UHFFFAOYSA-N	317.374	1.340	50	20	DDGD	
CN1CCN(C(=O)NN=C/C=C\c2ccc(F)c(F)c2)CC1	794940028	PENJUBVRRBQWNJ-SFJSUOFJSA-N	308.332	1.921	50	20	DDGD	
CCNC(=O)NNS(=O)(=O)c1ccc(Cl)cc1Cl	797430131	PHKZWYJBYXOBGB-UHFFFAOYSA-N	312.178	1.506	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H](C)NC(=O)c1cccs1	791216008	YMWGLBNIIHZIPC-JTQLQIEISA-N	304.375	1.713	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCCC1(O)CCC1	790984927	HXOBTYKHNRCJQH-UHFFFAOYSA-N	305.378	1.255	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(C(N)=S)cc2)n1	798338420	PKPVXBYAAXLJGK-UHFFFAOYSA-N	302.359	1.481	50	20	DDGD	
Cc1nc2cc(F)c(F)cc2n1CC(=O)NN=c1cc[nH]cc1	793786961	SNEMSMKWORKUFG-UHFFFAOYSA-N	317.299	1.583	50	20	DDGD	
Cc1ccccc1CCNC(=O)NNc1nncc(N)c1Cl	1319384844	WCTCLZMLNQBTAQ-UHFFFAOYSA-N	320.784	1.889	50	20	DDGD	
CN(C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br)C1CCC1	1329557029	KKYXNJJFGKAGSW-BXKDBHETSA-N	303.200	1.287	50	20	DDGD	
CCC(C)(C)OCC(=O)NNC(=O)c1n[nH]c2c1CCCC2	1326744456	JKLVAALLSYCDCL-UHFFFAOYSA-N	308.382	1.255	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C1CCNCC1)[C@@H]1CCC[C@@H](C)C1	1327485763	IPKAWKYPLSKIRA-MBNYWOFBSA-N	310.442	1.531	50	20	DDGD	
CC(C)n1nccc1C=NNC(=O)c1n[nH]c2c1CCCC2	1321237044	VKSDIANXBCUVGZ-UHFFFAOYSA-N	300.366	1.830	50	20	DDGD	
COC1(C=NNC(=O)CNc2ccccc2F)CCOCC1	1320776125	JQAGSZQSDYADBU-UHFFFAOYSA-N	309.341	1.535	50	20	DDGD	
CC(C[C@H]1CCCC(=O)N1)=NNC(=O)c1n[nH]c2c1CCCC2	1327459662	FJJGKHXNEWCXIV-LLVKDONJSA-N	317.393	1.453	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccc(Cl)cc1-n1cccn1	1320664479	KKROSYAUTNNVIF-UHFFFAOYSA-N	323.740	1.061	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)c1cc(CN(C)C)on1	1326574457	PDNCITFJPNVCCB-UHFFFAOYSA-N	308.313	1.641	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ncccc1Br	1321028418	CSZCODFUIHIQDG-UHFFFAOYSA-N	317.212	1.361	50	20	DDGD	
O=C(NC/C=C\C1CC1)NNC(=O)c1ccc2c(c1)OCCO2	1324893563	JNMSKYYMVXKLGF-UPHRSURJSA-N	317.345	1.368	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cccc(N2CCNC2=O)c1	1323173930	FJOFBXOMVRWETH-UHFFFAOYSA-N	304.350	1.023	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)NCCCCN)c1C	1325326791	QMHMRHBGRLXJLG-CYBMUJFWSA-N	322.409	1.140	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2c[nH]cc(Cl)c2=O)nn1	1321287203	LEIPWTHWBXTAKY-UHFFFAOYSA-N	321.768	1.873	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)Nc1cccc(F)n1	1320285229	IGLDXYIZXZGZOX-UHFFFAOYSA-N	318.312	1.289	50	20	DDGD	
Cc1ncccc1CC(=O)NNC(=O)Cc1ccccc1F	1322844459	BNKGMHRHJNOYCO-UHFFFAOYSA-N	301.321	1.462	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)c1ccc2c(c1)OCCO2	1338607387	HMAMRFWQXIKNKV-VXGBXAGGSA-N	320.345	1.034	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CSc1nc2ccccc2[nH]1	1333528634	RKUONYPBJDFZRS-UHFFFAOYSA-N	316.386	1.606	50	20	DDGD	
Cc1ccccc1C(F)(F)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	1261501122	QCRFOQLFZQIPIM-WDEREUQCSA-N	312.316	1.659	50	20	DDGD	
CC(C)(C)OC(=O)N1CC2CC1(C(=O)NN=c1cc[nH]cc1)C2	1358111767	MTGMDPPZETXNGG-UHFFFAOYSA-N	318.377	1.346	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1C	1517310167	RDHQXNBORYZUNV-UHFFFAOYSA-N	321.764	1.538	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc(OCC(=O)O)cc1)C(F)(F)F	1603250943	UFLSPTMLLPJWDL-SSDOTTSWSA-N	306.240	1.335	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNc2ncccc2C(=O)O)c1	1605345351	RQSZPVLRWNPSGR-LLVKDONJSA-N	315.329	1.999	50	20	DDGD	
COC1(C(C)=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CCC1	1605017275	RFYMLNVTELTCQX-UHFFFAOYSA-N	314.349	1.542	50	20	DDGD	
CC(=O)N1CSC[C@@H]1C(=O)NNc1cccc(C(=O)O)c1C	1603030909	WBVIAJUMIPOMCQ-GFCCVEGCSA-N	323.374	1.058	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2nncc3ccccc23)nc1	1602384197	GPWSHVOXENCEKH-UHFFFAOYSA-N	309.285	1.480	50	20	DDGD	
O=C(O)CC1(C(=O)NNC(=O)c2cccc(Cl)n2)CCC1	1606072016	VQFNLXGZQBJPJM-UHFFFAOYSA-N	311.725	1.141	50	20	DDGD	
COc1cc(C=NNC(=O)C(C)(C)C)ccc1-c1nn[nH]n1	1605204837	CSWGINIAMSEHIK-UHFFFAOYSA-N	302.338	1.372	50	20	DDGD	
C=CCCOCCNC(=O)NNc1cccc(C(=O)O)c1C	1602881096	SBVUOOFYRWHQFN-UHFFFAOYSA-N	307.350	1.912	50	20	DDGD	
C[C@@]1(CNC(=O)[C@@](C)(C#N)CC(=O)O)C[C@H]1Br	1602780566	IXYQIONOYJHBKH-ONOSFVFSSA-N	303.156	1.281	50	20	DDGD	
Cc1ccc(NNC(=O)COCc2ccncc2)cc1C(=O)O	1600461082	CAEAISMATDWQAP-UHFFFAOYSA-N	315.329	1.748	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cnsn2)cc(C(=O)O)c1	1600271054	ZYGNCKQLMAIVJL-UHFFFAOYSA-N	321.318	1.011	50	20	DDGD	
COc1cc(C(=O)O)ccc1NC(=O)NNc1ncncc1F	1607134411	KNWZGYZJKVAGGD-UHFFFAOYSA-N	321.268	1.471	50	20	DDGD	
Cc1cc(C=NNC(=O)c2ccccc2O)ccc1-c1nn[nH]n1	1609399630	IQRFTLWODWIUGL-UHFFFAOYSA-N	322.328	1.645	50	20	DDGD	
Cc1ccc(NNC(=O)CCc2cnn(C)c2C)cc1C(=O)O	1607809877	HVKRQOYPWQLAFH-UHFFFAOYSA-N	316.361	1.811	50	20	DDGD	
O=C(O)C(=O)NN=C1CCCc2c(Br)cccc21	1610714299	NJVRYWMIEJFFER-UHFFFAOYSA-N	311.135	1.690	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@@H]1C(=O)NN=Cc1cccnc1	1549314561	IJIPLCYXXWENAP-ZFWWWQNUSA-N	313.361	1.433	50	20	DDGD	
CN1CCN([C@H]2CCN(C(=O)c3cccc(CCl)c3)C2)CC1	1550888746	KDLLVAPPYJIYSC-INIZCTEOSA-N	321.852	1.887	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@]12CCCNC2)c1cccc(Cl)c1	1580732613	FUXUMWUDAONZBX-IUODEOHRSA-N	307.781	1.491	50	20	DDGD	
CC[C@H](CNC(=O)NNc1ncnc2ccsc12)C(=O)O	1589538746	LYNNYXNSWRTEBV-SSDOTTSWSA-N	309.351	1.428	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H]1C[C@@H](C(=O)O)c2ccccc21	1588843143	AIFCUOLDHDEINO-OLZOCXBDSA-N	319.361	1.676	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)S)C1	1846366355	JUUWFOSBKFTOHP-GHMZBOCLSA-N	318.870	1.916	50	20	DDGD	
O=C(CCc1ccc(F)c2ccccc12)NNC(=O)[C@H]1CCN1	1580544105	AYSCJIPJAYGKDV-OAHLLOKOSA-N	315.348	1.421	50	20	DDGD	
O=C(C(Cl)Cl)N1CC2(CCCN2C(=O)c2cnc[nH]2)C1	1842424881	LIYMHUZKDHLSQN-UHFFFAOYSA-N	317.176	1.030	50	20	DDGD	
O=C(O)CCCC(=O)NNC(=O)C(F)(F)Oc1ccccc1	1595027842	RHCZZFCUKCTLRF-UHFFFAOYSA-N	316.260	1.061	50	20	DDGD	
CO[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)C1CCC1	1591312079	SJTRUIZWQBHEPQ-GFCCVEGCSA-N	302.338	1.125	50	20	DDGD	
C[C@@H](CC(=O)O)CC(=O)NNc1nnc(-c2ccccn2)s1	1592391437	KYGIHGHOIOQBFN-MRVPVSSYSA-N	321.362	1.544	50	20	DDGD	
CC[C@@H](C)C(=O)NN=Cc1c(C)cc(-c2nn[nH]n2)cc1C	1590393918	NEHHLQAMFBAZPD-SECBINFHSA-N	300.366	1.980	50	20	DDGD	
CCNC(=O)NN=Cc1c(O)c(C(=O)O)cc2ccccc12	1776039404	RQQRIEZPJJYOCF-UHFFFAOYSA-N	301.302	1.897	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NN=Cc1ccc(C(=O)O)c(OC)c1	1776102055	FUKGRFYWUJKYHF-AAEUAGOBSA-N	306.318	1.269	50	20	DDGD	
CCNC(=O)NN=Cc1sc(Br)cc1C(=O)O	1776039351	MAWUITHDKDDXIT-UHFFFAOYSA-N	320.168	1.862	50	20	DDGD	
O=C(O)c1cnc2c(C=NNC(=O)[C@H]3CCCCO3)cccn12	1776077738	WGOWQTGQLCKSAM-GFCCVEGCSA-N	316.317	1.052	50	20	DDGD	
CC(C)CCn1cc(C(=O)NNc2ccccc2[N+](=O)[O-])nn1	150895384	DMQNVMGOJCSTFH-UHFFFAOYSA-N	318.337	1.989	50	20	DDGD	
COCCOc1ncccc1C(=O)NNc1cccc(C#N)c1	152293928	GASRZYCWFJYKQG-UHFFFAOYSA-N	312.329	1.735	50	20	DDGD	
CC(=O)NC1(C(=O)NNc2ccc(C#N)cc2)CCCCC1	155354939	XSYIXOHKVLMGOJ-UHFFFAOYSA-N	300.362	1.840	50	20	DDGD	
C[C@@H](C1CC1)n1nccc1NC(=O)NNC(=O)[C@@H]1CCCO1	156355601	OYOSWDGMIGPNFA-ONGXEEELSA-N	307.354	1.186	50	20	DDGD	
COc1cc(CCNS(=O)(=O)CCCCCl)ccc1O	154305998	VCCGUNJIPCHICV-UHFFFAOYSA-N	321.826	1.882	50	20	DDGD	
CC(C)c1ccsc1C(=O)NNc1ccc(C(N)=O)nn1	154306308	IMBJYUAQPPXLNJ-UHFFFAOYSA-N	305.363	1.517	50	20	DDGD	
COCCN(Cc1ccccc1)S(=O)(=O)CBr	127130797	ZSQSAMVPXGDWJE-UHFFFAOYSA-N	322.224	1.817	50	20	DDGD	
C#Cc1cnc(C(=O)NCCSSCCC(=O)O)c(C)c1	2088603507	COEMDLYXHZUCAI-UHFFFAOYSA-N	324.427	1.957	50	20	DDGD	
CNC(=S)NNC(=O)Cc1nc(-c2ccccc2)cs1	7461236	LGMNUCLNTJJNKV-UHFFFAOYSA-N	306.416	1.478	50	20	DDGD	
CC1=CC(=O)[C@H](C(=O)/C=C/c2cnn(CCCl)c2)C(=O)O1	103249838	XBDOJAIIUWYVCZ-IBUXWKBASA-N	308.721	1.350	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2CCC[C@@H](C)[C@@H]2C)n1	172855680	QAXRZRFQIXVGBL-PWSUYJOCSA-N	324.450	1.262	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H](C)n1cncn1)c1ccccc1	171879752	PHDWLBGIEFZVNE-AAEUAGOBSA-N	301.350	1.180	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)CCc1ccoc1	177568553	UZXGQZSDEYLDMH-UHFFFAOYSA-N	312.329	1.630	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1cnc2ccccc2n1	66774982	ZKLPKMBDFLBREV-UHFFFAOYSA-N	324.315	1.773	50	20	DDGD	
CCOc1ccc(CC(=O)NNC(=O)NCC(F)(F)F)cc1	60415373	QICQHGIJQWWCHP-UHFFFAOYSA-N	319.283	1.521	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)C[C@@H]2CCCCO2)cc1	113930093	LIZXWUHMKBLVQQ-HNNXBMFYSA-N	319.405	1.257	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccccc1Cn1cncn1	173041424	XUKRIRYAIXQWAC-UHFFFAOYSA-N	317.349	1.496	50	20	DDGD	
CN(C)N(C(=O)CCCC1CCCC1)[C@H]1CCS(=O)(=O)C1	74235784	AJHSVNYQOQPLAL-AWEZNQCLSA-N	316.467	1.839	50	20	DDGD	
CC[C@@H](C)[C@H](C(=O)NNC(=O)N1CCOCC1)c1ccccc1	172284074	ZIWVVNGKVMBWQC-HIFRSBDPSA-N	319.405	1.889	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNC(=O)c2cnn(C)c2)s1	117682032	HZPGKLSJGZDWDS-UHFFFAOYSA-N	320.374	1.214	50	20	DDGD	
O=C(NNc1ncccn1)[C@@H]1CC(c2cc(F)ccc2F)=NO1	66374175	STGROGOYAPGEOA-LBPRGKRZSA-N	319.271	1.391	50	20	DDGD	
CCOC(=O)NCC(=O)NNc1cccc(C(F)(F)F)c1	171569189	BSMRKOWJRTWHRA-UHFFFAOYSA-N	305.256	1.895	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(Br)cn1	171379555	XJNBLQZWUDMTQG-UHFFFAOYSA-N	300.156	1.651	50	20	DDGD	
C=CCN1CCC(NC(=O)NNc2ccc(OC)cn2)CC1	189010657	DFOCEAACJWNNCF-UHFFFAOYSA-N	305.382	1.367	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)C2(O)CCCC2)o1	126508767	GCSNDAQDNRMCLD-UHFFFAOYSA-N	323.393	1.188	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1cccc2nsnc12	78984190	DJQOJZDKPMJDDV-UHFFFAOYSA-N	314.392	1.047	50	20	DDGD	
N#Cc1ccc(NC(=O)NNC(=O)COCc2ccccc2)cc1	120984653	PKNRDGVGTKMUIV-UHFFFAOYSA-N	324.340	1.928	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cccc(F)c2C)nc1	124304885	CFCPIPJEOWSGMF-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
Cc1ccc(C[C@H](CO)NC(=O)NNC(=O)C(C)(C)C)cc1	188086480	PUEDGRGOZAZPKE-CYBMUJFWSA-N	307.394	1.275	50	20	DDGD	
CCOCc1ccccc1CNC(=O)NNc1cccnn1	77343630	WXJLGNLQHAFETO-UHFFFAOYSA-N	301.350	1.839	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@]1(O)CCSC1	181280491	COUWSBAQCYRNRE-HNNXBMFYSA-N	303.387	1.854	50	20	DDGD	
COc1cccc(NNC(=O)NC2CCN(C3CC3)CC2)n1	180851232	CEQYHDJWWPWSSK-UHFFFAOYSA-N	305.382	1.343	50	20	DDGD	
C[C@@H](c1ccccc1)N1C[C@H](C(=O)NNC(=O)C2CC2)CC1=O	78304279	LFCQBQKJDXKROQ-SMDDNHRTSA-N	315.373	1.154	50	20	DDGD	
CCO[C@H](C)C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	79032264	WGZDNNGIGWECQD-SNVBAGLBSA-N	302.334	1.263	50	20	DDGD	
O=C(CO)NNC(=O)c1ccc(SCc2ccccc2)cc1	182764542	XHQVDIBFJZBKCT-UHFFFAOYSA-N	316.382	1.732	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1cc(OC)c(OC)c(OC)c1	35681120	JNBHSDONPSKDCI-GHXNOFRVSA-N	321.329	1.809	50	20	DDGD	
O=C(NNC(=O)c1ccc2cc[nH]c2c1)c1ccc2c(c1)OCO2	32484951	AVMAMDBMTBGAME-UHFFFAOYSA-N	323.308	1.971	50	20	DDGD	
CCOc1ncccc1NC(=O)C(=O)NNc1ccccc1	185222440	DIZHNHPTYVERJI-UHFFFAOYSA-N	300.318	1.562	50	20	DDGD	
Cc1ncccc1NC(=O)C(=O)NNc1cccc([N+](=O)[O-])c1	181487957	OGOCTBLDNMOEIG-UHFFFAOYSA-N	315.289	1.380	50	20	DDGD	
CCc1cc(NC(=O)NNc2cc(Cl)nc(N)n2)n(C)n1	189674618	AEQMGHXKGKGYOL-UHFFFAOYSA-N	310.749	1.157	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1cc(C2CC2)[nH]c(=O)c1	184434485	OEFWXPMGGUHYJE-UHFFFAOYSA-N	313.313	1.033	50	20	DDGD	
CC1=C(C(=O)NNc2cccc(S(C)(=O)=O)c2)CCCO1	181132742	WMQSPMYCAWICMA-UHFFFAOYSA-N	310.375	1.618	50	20	DDGD	
CC1(CCNC(=O)NNc2c(F)cccc2F)OCCO1	185114155	UKYOCEAKVMTAJL-UHFFFAOYSA-N	301.293	1.744	50	20	DDGD	
O=C(/C=C\c1ccccc1)NNC(=O)[C@H]1COc2ccccc2O1	212376105	KUNBJUJFHYHZGF-BLIJAFNYSA-N	324.336	1.687	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H]1CCCCNC1=O	182132523	VZALPQUFFFTBEE-BRADTZPFSA-N	301.321	1.518	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)c3csnn3)cc2C1	79282384	IMQCXXLRUPVGBJ-SSDOTTSWSA-N	322.415	1.799	50	20	DDGD	
CCN(CC(=O)NNC(=O)CNc1ccc(C)cc1)C1CC1	135935285	MMGZCZXVPBGVGX-UHFFFAOYSA-N	304.394	1.039	50	20	DDGD	
CCSc1ccc(Cl)cc1C(=O)NNC(=O)C(C)(C)O	192921210	CWXPUYMKASGQEY-UHFFFAOYSA-N	316.810	1.984	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)c1ccn(CC(F)F)n1	194463014	YAIOQBGTAROVKP-UHFFFAOYSA-N	301.684	1.954	50	20	DDGD	
Cc1cc(-n2cccn2)ccc1NC(=O)NNC(=O)c1ccc[nH]1	190791073	RLXFPQVXAPZHLX-UHFFFAOYSA-N	324.344	1.975	50	20	DDGD	
CN(C[C@@H]1CCC[C@H]1O)C(=O)/C(C#N)=C\c1ccc(O)cc1	194807228	LAHPHMMPHBZHPW-HKLGTKQWSA-N	300.358	1.919	50	20	DDGD	
COc1ccc(NNC(=O)c2cc([N+](=O)[O-])ccc2N)nc1	190087700	WKCBPURNJGJFQF-UHFFFAOYSA-N	303.278	1.338	50	20	DDGD	
CS[C@H](C)CNC(=O)NNC(=O)COc1ccc(C#N)cc1	269951157	YFGQIJKJLUUXNR-SNVBAGLBSA-N	322.390	1.019	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2nonc2C)c1C	265064606	ROVPUUSWDMVJPE-NSHDSACASA-N	318.333	1.223	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)Cc2ccccc2OC)O1	268291056	YOXPGSHAIHFGNJ-JSGCOSHPSA-N	306.362	1.343	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@]12CCC(=O)N1c1ccccc1S2	367664510	DTFPBUSNEIBFRB-CQSZACIVSA-N	321.358	1.345	50	20	DDGD	
CC(C)(C)OC(=O)NCC(C)(C)C(=O)NNC(=O)c1ccc[nH]1	268324924	LWLDXBRXCQEDRF-UHFFFAOYSA-N	324.381	1.327	50	20	DDGD	
COCCCN(CCO)C(=O)c1c(C)nn(CCCl)c1C	276023151	QYQHBASEABLUGY-UHFFFAOYSA-N	317.817	1.210	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)N2CCN(C)CC2)cc1C	278522356	CEBZFZBDWKHZMK-UHFFFAOYSA-N	310.423	1.221	50	20	DDGD	
COC(=O)NNC(=O)[C@@H]1CC(=O)N(c2cccc(SC)c2)C1	276746289	FOVUTPCUICPNHS-SECBINFHSA-N	323.374	1.149	50	20	DDGD	
CC(C)[C@H]1C[C@H](CC(=O)NNC(=O)Cc2ccncc2)CCO1	273074126	GCWMXYCNRDFQIN-HUUCEWRRSA-N	319.405	1.613	50	20	DDGD	
O=C(NNc1ncccc1Cl)[C@H]1CCCCS1(=O)=O	274964787	RYGPYJSFGRGUDQ-SECBINFHSA-N	303.771	1.145	50	20	DDGD	
CCOC(=O)c1cc(NC(=O)NNC(=O)CC2CC2)cn1C	273391153	DNLNBVHRWZAGFU-UHFFFAOYSA-N	308.338	1.155	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNc1nc(-c2cccnc2)no1	280465984	HTOCNLYPOBBZJH-VHSXEESVSA-N	315.333	1.580	50	20	DDGD	
CNC(=O)[C@]1(C)CCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C1	281110510	NFAPLKIKTZIESH-SNQWNFELSA-N	314.345	1.917	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C(=O)C(C)(C)C)cc1C	281415308	ZMEFCJXDUWXRKO-UHFFFAOYSA-N	319.361	1.005	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(C(F)F)cc1)C1CCC1	288616119	VIONKWZUDZKHOG-UHFFFAOYSA-N	304.318	1.734	50	20	DDGD	
CO[C@@H](C(=O)NNc1cc(Cl)nc(C)n1)c1cnn(C)c1	281940685	IWILZTAWAHMXFE-LLVKDONJSA-N	310.745	1.003	50	20	DDGD	
CCc1csc(CC(=O)NNC(=O)c2ccccc2OC)n1	283169612	KOIFXPLRJMKEBO-UHFFFAOYSA-N	319.386	1.718	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1cnnc2ccccc12	801621563	UCMITGMQDNXETQ-UHFFFAOYSA-N	301.350	1.379	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(OC2CCOCC2)cc1	297222379	XRUBCDGXBDNNJC-UHFFFAOYSA-N	308.378	1.467	50	20	DDGD	
CCc1oc(C=NNC(=O)c2cccn2C)cc1C(=O)OC	800809378	LUGTZNTWUDJKEB-UHFFFAOYSA-N	303.318	1.731	50	20	DDGD	
CC[C@H](C)[C@@H](C)NC(=O)NNC(=O)COc1ccc(OC)cc1	299150159	FRINUHSCCKLURE-NWDGAFQWSA-N	323.393	1.839	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=O)COc2ccc(F)cc2)o1	292414425	KFAYIHHHSSXIBL-UHFFFAOYSA-N	321.308	1.525	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2cccnc2F)c1	806365512	VSWBPCDJHPQFRC-UHFFFAOYSA-N	318.308	1.102	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)c2ccccc21	295309839	FSACYEMZWJXWSZ-HNNXBMFYSA-N	315.373	1.991	50	20	DDGD	
Cc1c(NNC(=O)c2cc([N+](=O)[O-])n[nH]2)cccc1[N+](=O)[O-]	802830227	NVNLFTJUSQLNCJ-UHFFFAOYSA-N	306.238	1.291	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](C)CN1CCCCC1	298706803	IGIJDOBDGBHZFE-AWEZNQCLSA-N	318.421	1.813	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)[C@@H]1CC1(F)F	295206505	LOVKRTLCIQVTLF-VIFPVBQESA-N	303.696	1.826	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1c(Cl)cccc1[N+](=O)[O-]	294684413	JYWXKADNDANVRI-UHFFFAOYSA-N	300.702	1.601	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccc(F)c1Br	293603491	YCUDKQMZSKBGKO-UHFFFAOYSA-N	318.146	1.894	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2occ3c2CCOC3)n1	806933260	WCGKKPADQGTJGJ-UHFFFAOYSA-N	308.725	1.861	50	20	DDGD	
Cc1oc(-c2cnn(C)c2)nc1C(=O)NNc1ncccc1F	804219694	NRVFMUHHQWJZEA-UHFFFAOYSA-N	316.296	1.675	50	20	DDGD	
COCc1ccccc1CNC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	297591736	PTVYSACMJINQSM-FZMZJTMJSA-N	321.377	1.231	50	20	DDGD	
CC(C)c1nnc2ccc(NC(=O)NNc3cnccn3)cn12	801743243	JBZRUSGRHLOUES-UHFFFAOYSA-N	312.337	1.791	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)[C@H]2CCCCO2)cc1C	295268394	BQZHMZYQNCPQIP-CQSZACIVSA-N	322.361	1.099	50	20	DDGD	
CC(=NNC(=O)c1nnc(O)c2ccccc12)c1c[nH]nc1C	814740642	ZLHRSGDWMWOKTR-UHFFFAOYSA-N	310.317	1.521	50	20	DDGD	
C[S@](=O)c1cccc(NC(=O)NNc2ncncc2F)c1	814637869	GPTWCHBQUDMWFK-NRFANRHFSA-N	309.326	1.502	50	20	DDGD	
O=C(NNc1ncncc1F)N[C@H]1CCOc2ccc(F)cc21	814323147	YUXHWCJVLOYOKM-NSHDSACASA-N	321.287	1.905	50	20	DDGD	
O=C(CO)NN=C1COc2cc(OCc3ccccc3)ccc21	814896200	ODVZXSHBPJKACH-UHFFFAOYSA-N	312.325	1.471	50	20	DDGD	
O=C(NNS(=O)(=O)c1cccc2c1OCC2)C1CCCC1	817355677	SINPNMTXLMSZGJ-UHFFFAOYSA-N	310.375	1.121	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)c2ccc[nH]2)cc1	812727858	YTZLMVYCMCBVQR-UHFFFAOYSA-N	308.363	1.022	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1cc(C2CC2)nn1-c1ccccc1	816632861	BWRHVEIIYDDUKC-UHFFFAOYSA-N	309.333	1.625	50	20	DDGD	
Cc1nsc(C)c1C(=O)NNC(=O)c1cccc(C#N)c1	815399110	JAGLJMQKHJQZNK-UHFFFAOYSA-N	300.343	1.706	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCCCN(C)C)cc1C	729283452	QEJDPWULVMIUHM-UHFFFAOYSA-N	321.421	1.562	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCc1nc(-c2cccs2)no1	823982758	DBAWNVXAWZEIKG-SECBINFHSA-N	310.379	1.075	50	20	DDGD	
C[C@@H](C=NNC(=O)c1cccn1C)CNC(=O)OC(C)(C)C	496960132	HOVBZYLTGJXMDK-LLVKDONJSA-N	308.382	1.902	50	20	DDGD	
COCCN(C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C	495877066	SNUDRVDAXXDMNP-NSHDSACASA-N	303.403	1.145	50	20	DDGD	
O=C(COC(F)(F)F)NNc1cccc(Br)n1	822244127	VWWJUKUWMPUSKM-UHFFFAOYSA-N	314.061	1.824	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@@H](C)[C@@H]3CCC(=O)N3)nc12	828358246	IXZMRFCGAPPLLZ-UWVGGRQHSA-N	318.402	1.963	50	20	DDGD	
COCC[C@H](C=NNC(=O)NC(C)C)NC(=O)OC(C)(C)C	495995277	UQOMPSZDGXYKHJ-LLVKDONJSA-N	316.402	1.610	50	20	DDGD	
COC(=O)NN=Cc1c[nH]nc1-c1ccc2c(c1)OCCO2	490635601	HTSJJEBRTWUBOS-UHFFFAOYSA-N	302.290	1.538	50	20	DDGD	
C=CCCNC(=O)NNC(=O)CSc1ccccc1OC	820765945	UVNHPRHLBAZHPJ-UHFFFAOYSA-N	309.391	1.694	50	20	DDGD	
CCCCNC(=O)NNC(=O)C(=O)Nc1c(F)cccc1F	823755434	DZVOPDFIXILULX-UHFFFAOYSA-N	314.292	1.034	50	20	DDGD	
C=CCCSCCNC(=O)NNC(=O)c1ccccc1O	820776415	UYDRQWSBSDWQLR-UHFFFAOYSA-N	309.391	1.646	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](c2ccncc2)C1	829817631	PEAZEMQLVUCUAU-GXTWGEPZSA-N	304.394	1.207	50	20	DDGD	
COCC[C@@H](C=NNC(=O)C1CCC1)NC(=O)OC(C)(C)C	496632267	KPQCTDPOWYRLLT-LBPRGKRZSA-N	313.398	1.818	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1cc(-c2nn[nH]n2)cn1C	826268984	WNVTYCKGUWMMSD-UHFFFAOYSA-N	315.312	1.410	50	20	DDGD	
CC(C)NC(=O)NCCOC(=O)/C(C#N)=C\c1ccccc1	829060214	JMOLOXJKZWRPIH-UVTDQMKNSA-N	301.346	1.844	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCC(F)(F)F	494452486	KKQVNHJGOFFHNJ-UHFFFAOYSA-N	313.276	1.001	50	20	DDGD	
COC[C@H](C)CC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	821681029	ACNIPUAJEGXLRU-MRVPVSSYSA-N	323.357	1.094	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C	497031779	YOARJAKKVFAUFI-SNVBAGLBSA-N	316.402	1.228	50	20	DDGD	
C[C@]1(CNCc2ccccc2B(O)O)OCCc2sccc21	585040199	BTUKOKJPSUHQDN-MRXNPFEDSA-N	317.219	1.006	50	20	DDGD	
CC(C)N(CCC(=O)NNc1nc[nH]n1)C(=O)OC(C)(C)C	496441772	WFVBESXYROHSOS-UHFFFAOYSA-N	312.374	1.283	50	20	DDGD	
CCN(CCO)NC(=O)c1cn(-c2ccc(Cl)cc2)nc1C	823860043	IGADQQJYZYPLST-UHFFFAOYSA-N	322.796	1.793	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C1CCCC1)C(=O)N1CCCC[C@H]1C	737048593	YDOWSAQFMHPPSU-NEPJUHHUSA-N	324.425	1.297	50	20	DDGD	
C[C@@H](C[C@@H](O)c1cccs1)NCc1ccccc1B(O)O	585035590	VMVKZWBIGATCLI-SMDDNHRTSA-N	305.208	1.030	50	20	DDGD	
CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)NCB(O)O	585057687	XLNXVJWPTARXGH-UHFFFAOYSA-N	314.150	1.176	50	20	DDGD	
CCOC(=O)[C@H](C)N(C)C(=O)/C(C#N)=C/c1ccc(O)cc1	491131497	LIFBZBVGLZQSFG-GJSJWPQCSA-N	302.330	1.709	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NN=Cc1ccc(C#N)s1	495085864	JFMODGDTYVEXIK-UHFFFAOYSA-N	322.390	1.985	50	20	DDGD	
CCn1ncc(/C=C(/C#N)C(=O)N(CC(F)(F)F)C2CC2)n1	901474594	RMDVRIMTMBVSMT-UITAMQMPSA-N	313.283	1.758	50	20	DDGD	
C=CC(=O)N(CC)CC(=O)NNc1cc(C(F)(F)F)ccn1	908505539	PNJNVKJJBPCNIL-UHFFFAOYSA-N	316.283	1.578	50	20	DDGD	
CC[C@H](OC1CCCC1)C(=O)NNC(=O)c1ccccc1O	733355328	COULHDDVYLUKQG-AWEZNQCLSA-N	306.362	1.891	50	20	DDGD	
Cc1cccc([C@@H]2C[C@H]2[C@H](C)NC(=O)c2cccc(B(O)O)c2)c1	584933950	LZFJAJPNPLQGPK-KKXDTOCCSA-N	323.201	1.597	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2cc3n(n2)CCCC3=O)c1	907096086	ZOVUVXMVFYXZMF-UHFFFAOYSA-N	318.308	1.764	50	20	DDGD	
C[C@@H](C(=O)O)n1cccc1C=NNC(=O)Cc1ccsc1	833407095	QQWNDHSCFODLON-JTQLQIEISA-N	305.359	1.888	50	20	DDGD	
C[C@@H](Cc1c(F)cccc1F)NCc1ccccc1B(O)O	585017428	XDPAFXDPJYFOFR-NSHDSACASA-N	305.133	1.365	50	20	DDGD	
CO[C@H]1CCC[C@H]1CNC(=O)NNc1ncc(F)cc1F	838535714	INQFTPOFYOTIKY-KWQFWETISA-N	300.309	1.801	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCSC[C@H]2C)cc1	738342486	YJXVTRMVZGOMFA-GFCCVEGCSA-N	307.419	1.193	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCOC[C@@H]1C(=O)O	836725671	RGIZONZPSLNHIP-HTQZYQBOSA-N	308.172	1.108	50	20	DDGD	
CCOCC(=O)NN=C(C)c1nc(Br)cs1	834956829	ZDNDMAIZQGUCKO-UHFFFAOYSA-N	306.185	1.782	50	20	DDGD	
O=C(O)COc1cccc(C=NNC(=O)c2ccccc2O)c1	733201448	UMEUHWZHRPMKFJ-UHFFFAOYSA-N	314.297	1.620	50	20	DDGD	
Cc1cc([C@H](C)NC(=O)c2ccc(B(O)O)cc2)c(C)s1	584931376	RVCCJVDRICSOMX-JTQLQIEISA-N	303.192	1.536	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1C[C@H]1c1c(F)cccc1Cl	585046502	RWLACCNHFKMOQA-IAQYHMDHSA-N	319.572	1.805	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=Cc1ccc(Cl)cc1	730585637	ILKXQNCDPYZCLU-UHFFFAOYSA-N	322.777	1.817	50	20	DDGD	
O=C(COc1ccc(F)cc1)NN[C@H](C(=O)O)c1cccnc1	833115306	KPQMERTZHUEMOT-AWEZNQCLSA-N	319.292	1.046	50	20	DDGD	
COC1(CO)CCN(C(=O)[C@]2(C)C[C@H]2Br)CC1	907790763	OYBYBABWTYUFEQ-MWLCHTKSSA-N	306.200	1.160	50	20	DDGD	
O=C(c1ccc(OC(F)(F)F)cc1)N1CC[C@H](B(O)O)C1	585071187	OCRXZVYTWDNTJN-VIFPVBQESA-N	303.045	1.274	50	20	DDGD	
CC(C)(C)[C@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)CC1	584952714	WHOYBRZOGWPTSK-AWEZNQCLSA-N	303.211	1.655	50	20	DDGD	
COc1cncc(CNS(=O)(=O)CC(C)(C)CCl)c1	919376092	XAABCTVOWFFFJE-UHFFFAOYSA-N	306.815	1.775	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](C)c1nc2ccccc2s1	734222575	KNXQGMRLWIUJKQ-VIFPVBQESA-N	322.390	1.724	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)N[C@@H]1CC12CCNCC2	831173119	NTLUHCDBYXHUMS-GFCCVEGCSA-N	305.338	1.363	50	20	DDGD	
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NN(C)C[C@H](C)O	910166968	AMEOXCNOWFXACH-SWLSCSKDSA-N	305.378	1.305	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNC(=O)c2cccc(Cl)c2)no1	916112480	DKIUFAKBCNLERP-UHFFFAOYSA-N	322.708	1.036	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)c1ccc(C#N)cc1)C(=O)N2	747050762	HEXRPLVYTFMEHQ-UHFFFAOYSA-N	320.308	1.653	50	20	DDGD	
CCO[C@H](CC)C(=O)NNC(=O)Cc1nc2ccccc2n1C	919972870	VZANIXWLTFDECF-CYBMUJFWSA-N	318.377	1.078	50	20	DDGD	
CN(C)N(C(=O)C=C1CCCCC1)[C@@H]1CCS(=O)(=O)C1	919989102	GWLWDFHAKOOAOJ-CYBMUJFWSA-N	300.424	1.369	50	20	DDGD	
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN)cc2)cc1C	917371575	GTZXVRXMCMUBAI-UHFFFAOYSA-N	319.386	1.708	50	20	DDGD	
CC(C)NC1(CO)CCN(C[C@@H](C)CBr)CC1	846940450	SPKDPWRUUXRYBJ-LBPRGKRZSA-N	307.276	1.842	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=S)N[C@H](C)C2CC2)C1	912161214	RBCKPMUOIDSEJS-LNLATYFQSA-N	321.450	1.369	50	20	DDGD	
C=C[C@H](C)ONC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	845638082	CFJLXWLYBASZPW-UWVGGRQHSA-N	311.313	1.430	50	20	DDGD	
C[C@@H]1CCC[C@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)C1	745152693	DNUUEDKWUJVEIP-OCCSQVGLSA-N	318.373	1.817	50	20	DDGD	
C[C@@H](CNC(=O)NNc1nc2ccccn2n1)CC(F)(F)F	840436179	LXANKWKQUUCRFU-MRVPVSSYSA-N	316.287	1.944	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)/C=C\c1ccccc1F	740852695	IOXFJADPAUDYEZ-KTKRTIGZSA-N	321.352	1.291	50	20	DDGD	
O=C(NNC(=O)N1CC(F)C1)c1cccc(OC(F)F)c1	841578560	PZBSZCCVNQXNSY-UHFFFAOYSA-N	303.240	1.296	50	20	DDGD	
CO[C@H](C=NNC(=O)COc1cc(C)ccc1C)[C@@H]1CCOC1	841607307	VJMIOTKVWDOTFH-GDBMZVCRSA-N	320.389	1.836	50	20	DDGD	
CO[C@H](C=NNC(=O)COc1ccccc1F)[C@@H]1CCOC1	841606543	IGANNHDEEHXTHZ-BXUZGUMPSA-N	310.325	1.358	50	20	DDGD	
CCn1cncc1C=NNC(=O)c1ccc2c(c1)OCCO2	841615549	AZYWWWRDQGKVJY-UHFFFAOYSA-N	300.318	1.438	50	20	DDGD	
Cc1c(C)c(O)c(C=NNC(=O)[C@H]2CCO[C@@H]2C)c(C)c1O	842560628	NBVQPTMIFZHEOS-NEPJUHHUSA-N	306.362	1.898	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNc1ncc(Br)cn1	848319744	CVVNRMIRTZUFIP-QMMMGPOBSA-N	317.187	1.887	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1nc(Cl)sc1Cl	847390789	MIWLUTJFEGBDEX-UHFFFAOYSA-N	309.178	1.804	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)C[C@H](OC)C1CCCCC1	849304278	DNALTLAFDNJECT-NSHDSACASA-N	308.400	1.162	50	20	DDGD	
O=C(NNc1ccccc1Cl)[C@@H]1CCc2nnnn2CC1	845854937	RKIKYCLBHKXEQK-SECBINFHSA-N	306.757	1.422	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@]1(C(=O)OC(C)(C)C)CC=CCC1	845335328	DOPTVWGZSPUJMH-HNNXBMFYSA-N	311.382	1.357	50	20	DDGD	
Cc1nn(C(C)C)cc1C(=O)NNC(=O)c1ccc(C#N)cc1	847405578	NXHUYFXTEMIWFO-UHFFFAOYSA-N	311.345	1.719	50	20	DDGD	
CC(C)CN(Cc1ccccn1)C(=O)c1ccc(B(O)O)cc1	928743389	SVSWGCRTNMUVCY-UHFFFAOYSA-N	312.178	1.060	50	20	DDGD	
Cc1ccc2snc(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)c2c1	843660837	MGMWRDYKYASVNO-NXEZZACHSA-N	319.386	1.791	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1ccc2c(c1)CCCO2	843775509	YYTAEMDFYOEYTK-UHFFFAOYSA-N	305.378	1.685	50	20	DDGD	
CC(=O)NN=Cc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O	744575549	OQCQHAQWAUCFSL-UHFFFAOYSA-N	307.313	1.431	50	20	DDGD	
CCc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843653855	FXKNTFQHYKIMQU-SHPPOPEUSA-N	316.401	1.925	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNC(=O)c1cc2ccccc2o1	844418774	ULYJPHRUCUFXDT-UHFFFAOYSA-N	317.345	1.356	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1ccc2c(c1)CCCN2	841301921	AKVNNWVUGREVKM-AWEZNQCLSA-N	318.377	1.767	50	20	DDGD	
O=C(Nc1cnn(C2CCCC2)c1)c1cc(B(O)O)ccc1F	928798622	QTBZFTATNKAHBU-UHFFFAOYSA-N	317.129	1.069	50	20	DDGD	
C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(B(O)O)c1	928377986	BQANZRKQAXSKDH-KBXCAEBGSA-N	323.201	1.775	50	20	DDGD	
Cc1ccc(C(C)(C)N[C@@H](C)C(=O)NNC(=O)CC(C)C)cn1	759909164	GBEZRPZYGXNIIU-ZDUSSCGKSA-N	320.437	1.797	50	20	DDGD	
CCS(=O)(=O)N[C@H](C)C(=O)NNc1c(C)cccc1Cl	854843850	ZURXTRVTQRIILF-SECBINFHSA-N	319.814	1.419	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=S)NC[C@@H]1CCCCO1	758181656	SKYVTPSDSCRYMY-LBPRGKRZSA-N	307.419	1.673	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NNc2ncccc2[N+](=O)[O-])C1	857860400	MCJPHBSJWGKTRT-WCBMZHEXSA-N	316.321	1.522	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cccc2c1OCO2	855091899	IJQGDAWBSGXEML-UHFFFAOYSA-N	307.375	1.324	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cc2c(C)cccc2[nH]1	853315046	QTPKGWRSMWLVQW-GFCCVEGCSA-N	303.362	1.978	50	20	DDGD	
CC1(CCNC(=O)NC[C@@]2(C)C[C@@H]2Br)OCCO1	856848841	LJSJRLAAFGAXNA-GXSJLCMTSA-N	321.215	1.612	50	20	DDGD	
Cc1n[nH]cc1C=NNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C	853371234	PAGHJZCBGLXMBE-CHWSQXEVSA-N	316.365	1.070	50	20	DDGD	
CN(Cc1cnccn1)C(=O)NC[C@@]1(C)C[C@@H]1Br	856952427	CDESGYIFOUCLBU-CMPLNLGQSA-N	313.199	1.792	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)Nc2cnns2)c1	755338798	VMLSNBJVVSELGN-UHFFFAOYSA-N	321.362	1.387	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C1(C)CCC(=O)CC1	854286237	NXJYZXUPUFRYOY-UHFFFAOYSA-N	315.439	1.010	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc2cccnn12)C1CC1	855098865	NBYQAYUEGGABBW-VIFPVBQESA-N	303.391	1.242	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC(=O)N(C2CC2)C1	855622214	ZFVNHZHAUNGFFS-MRVPVSSYSA-N	322.296	1.188	50	20	DDGD	
CC[C@H]1CCCC1=NNC(=O)CSc1nnc(O)nc1O	758374289	QVFKTUIXZONARS-ZETCQYMHSA-N	311.367	1.057	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)n(C)n1	929287570	JWJCQALXHYMWGQ-UHFFFAOYSA-N	304.325	1.643	50	20	DDGD	
CC(C)CN(CCC#N)CC(=O)NNC(=O)c1ccccc1	755671467	VIQXYCCRCVTHGV-UHFFFAOYSA-N	302.378	1.319	50	20	DDGD	
COCn1ccc(C(=O)NNc2cccc(C(F)(F)F)n2)n1	857133690	IBHWOROHFKZNES-UHFFFAOYSA-N	315.255	1.658	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(C#N)ccc1OCC	756212825	QGRWZSUSOCYZBC-UHFFFAOYSA-N	306.322	1.146	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2ccc(CC#N)cc2)c1	758127312	TWEGCHVDNRIUTE-UHFFFAOYSA-N	322.368	1.893	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccc(Cl)c(C)c2)nn1	928338553	KNLHTXPJOGZPEU-UHFFFAOYSA-N	309.757	1.643	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ncc[nH]2)ccc1OC(C)C	854237679	ZZXONHBZCRDMEI-UHFFFAOYSA-N	318.333	1.280	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)OC[C@H](CBr)C1CC1	859493558	GVVOBEXZFCCFPZ-SCZZXKLOSA-N	306.200	1.865	50	20	DDGD	
CC[C@@H](C)[C@@H](C)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855833050	HFYZWYAXIOAUCT-VXGBXAGGSA-N	313.442	1.759	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C[C@H]1C[C@H]1c1ccccc1	755774008	OFMICOLCJVJWAA-CVEARBPZSA-N	322.368	1.717	50	20	DDGD	
CCn1c(NNC(=O)C2CC(OC)C2)nc2ccccc2c1=O	858281655	MCGLIKIWOPYPNK-UHFFFAOYSA-N	316.361	1.285	50	20	DDGD	
Cc1noc([C@@H](C)NC(=O)NNc2ccc([N+](=O)[O-])cc2F)n1	853633688	AUGQWEYNWKGLLE-ZCFIWIBFSA-N	324.272	1.813	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCOCC2CCC2)c1	858363174	QINCYRSYUPGBMG-UHFFFAOYSA-N	311.407	1.817	50	20	DDGD	
CCC(CC)n1nccc1C(=O)NNC(=O)c1cccc(F)n1	856423387	STNNGAWXUPLGRQ-UHFFFAOYSA-N	319.340	1.853	50	20	DDGD	
CN(C(=O)NC[C@]1(C)C[C@H]1Br)C1CCNCC1	857105678	PMXVQPJSUZDAMK-PWSUYJOCSA-N	304.232	1.553	50	20	DDGD	
CC[C@H]1CC(=NNC(=O)[C@@H]2COc3ccccc3O2)CCO1	756821525	VGEZNFGGMWPYMZ-WFASDCNBSA-N	304.346	1.888	50	20	DDGD	
Cc1ccoc1CC(=O)NNC(=O)CCc1ccccc1O	857118428	LWRNBWZMVPQMBR-UHFFFAOYSA-N	302.330	1.616	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1ncc(Cl)cn1)CC(C)C	856917305	STGSKPXWNVBTCT-SNVBAGLBSA-N	301.778	1.817	50	20	DDGD	
CC(=O)N[C@](C)(C(=O)NNC(=O)Nc1ccccc1C)C(C)C	935803210	VQJJMFSGFXFHKZ-INIZCTEOSA-N	320.393	1.699	50	20	DDGD	
CCNc1nc(C(=O)NNC(=S)N[C@H](C)C2CC2)cs1	855094671	DGOWUKCVCKIPAW-SSDOTTSWSA-N	313.452	1.482	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc(F)cc1C	854283061	GBMRVYHCYUFITR-UHFFFAOYSA-N	313.398	1.622	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1ccsc1C(F)F	931113565	GMVXBQDQOCISID-UHFFFAOYSA-N	305.306	1.372	50	20	DDGD	
Cc1cc(C(=O)OCC(=O)NNC(=O)c2ccccc2)oc1C	768124170	ILBDCGDARNIUKI-UHFFFAOYSA-N	316.313	1.514	50	20	DDGD	
CC(C)(C(N)=O)C(=O)NNc1ccc(Br)cc1F	768093125	DETUEIJYNBBTFT-UHFFFAOYSA-N	318.146	1.543	50	20	DDGD	
CC[C@@](C)(O)C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	935858274	TVEDPDKSNIBCEU-CYBMUJFWSA-N	317.292	1.602	50	20	DDGD	
Cn1nc2c(c1S(=O)(=O)NCC(Cl)Cl)CCCC2	867468517	JDXBKJRYPFMSPL-UHFFFAOYSA-N	312.222	1.381	50	20	DDGD	
Cc1sc(Br)nc1C(=O)NNc1ncccn1	764146180	CBAVAXQBQHAKPH-UHFFFAOYSA-N	314.168	1.761	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1CCC(=NNC(=O)c2cnccn2)C1	863077028	JNOFZNKGHGLHQM-SNVBAGLBSA-N	319.365	1.640	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1	864491140	RUTQMYOFFQGZFY-STQMWFEESA-N	319.405	1.717	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H]2CCCC(F)(F)C2)n[nH]1	869016650	NQTBJPSFFVMQEH-SECBINFHSA-N	300.309	1.234	50	20	DDGD	
COCCOCC(=O)NNC(=O)[C@@H](CC(C)C)c1ccccc1	869909669	FMZZAOYXMYLUDQ-HNNXBMFYSA-N	322.405	1.627	50	20	DDGD	
N#CC1=CCN(C(=O)c2ccc(N3CCC(O)CC3)cc2)CC1	760003539	LEFDOCCPSFHIDH-UHFFFAOYSA-N	311.385	1.944	50	20	DDGD	
Cc1cc(NC(=O)CSCC(=O)N2CC=C(C#N)CC2)no1	767160531	SZIHDMQYJZHCFZ-UHFFFAOYSA-N	320.374	1.337	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(F)cc1Cl	767786576	BUUORGHMMNTLGE-VIFPVBQESA-N	302.733	1.981	50	20	DDGD	
CCOC(=O)c1nn(C)cc1C=NNC(=O)c1cc(C)cs1	863155527	OFOMLNFXNWHHOT-UHFFFAOYSA-N	320.374	1.731	50	20	DDGD	
Cc1ccc(Cl)c(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1	860780166	GKBJLAADTYFZRR-SECBINFHSA-N	310.741	1.080	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccccc1SC(C)C	763443586	LTYQTNGUHVRHCY-UHFFFAOYSA-N	309.391	1.683	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCSC1)c1cc(-c2cccs2)[nH]n1	765570579	BIMOTRLZNMHHAT-MRVPVSSYSA-N	322.415	1.652	50	20	DDGD	
CCCOc1ccc(C(=O)NNc2ccn(C)n2)c(OC)c1	1118049263	VTYGHPLKVXYEIQ-UHFFFAOYSA-N	304.350	1.974	50	20	DDGD	
COCCOCC(=O)NN=C1CCC(c2nc(C)no2)CC1	872400898	XJKHLFDOLSUERB-UHFFFAOYSA-N	310.354	1.171	50	20	DDGD	
Cc1cc(F)cc(NC(=O)C(=O)NNC(=O)C2CCCC2)c1	764069869	GAFNPEYEVKFSQP-UHFFFAOYSA-N	307.325	1.410	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H](O)CCSC)c1	874949720	AZGGXNJPUFGISC-LBPRGKRZSA-N	323.443	1.100	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)Nc2ccncn2)c1	770764429	VLBGMJIKRMDLMS-UHFFFAOYSA-N	315.333	1.325	50	20	DDGD	
O=C(NNc1ccc(F)cn1)C1CCN(CC(F)(F)F)CC1	874648548	TXSOVSHHXVFIQT-UHFFFAOYSA-N	320.290	1.938	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2nccnc2Cl)c(F)c1	776147736	MRMKBBYFGRYFTO-UHFFFAOYSA-N	324.699	1.813	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1ccc(F)cc1N(C)C	872401795	JJSSGKHULMYNSV-UHFFFAOYSA-N	311.357	1.395	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NOC1CCOCC1)c1ccccc1	773536006	SXFVRUZTGYBDCH-AWEZNQCLSA-N	321.377	1.621	50	20	DDGD	
CCOc1nc(C(=O)NNc2ccc(OC)cc2[N+](=O)[O-])co1	773385841	BLBCVLHSWWOTQR-UHFFFAOYSA-N	322.277	1.747	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccccc2Cl)nn1C	1116664369	HQJFJVPJFKENDB-UHFFFAOYSA-N	308.725	1.157	50	20	DDGD	
Cc1nnc([C@H](C)NC(=O)NNC(=O)c2cccc(F)n2)s1	1118562294	WXWGBHVVHMJKNP-LURJTMIESA-N	324.341	1.086	50	20	DDGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cn(C)c(=O)n(C)c1=O	1115828547	AZVQUXOKRSFOCW-XYOKQWHBSA-N	309.325	1.182	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNc1nc(C(F)(F)F)cs1	879126138	ACSPBMZFMZWBQE-LURJTMIESA-N	310.301	1.520	50	20	DDGD	
CCOC(=O)NNC(=O)Cn1nc(C(F)F)cc1C1CC1	873742525	WENPVTCJZNSVIE-UHFFFAOYSA-N	302.281	1.475	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc(=O)c2ccccc2n1C	1118920783	WKKDTUDNVFRABB-UHFFFAOYSA-N	318.402	1.056	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cn(C)c2ccccc12	771956836	GDYDLKYDRQQIIV-SNVBAGLBSA-N	317.345	1.281	50	20	DDGD	
CCCOc1cccc(CC(=O)NNc2nnc(C)c(O)n2)c1	770954970	IRDVIVIGCTUUES-UHFFFAOYSA-N	317.349	1.360	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cn(C)c(C)cc2=O)cc1	774322247	IIRAHPIJNQQOFO-UHFFFAOYSA-N	313.357	1.331	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1c(C)nn(CC(F)F)c1C	887146584	DIRBBLMJBMTGIL-UHFFFAOYSA-N	312.320	1.330	50	20	DDGD	
CC(C[C@@H](C)CC(C)C)=NNC(=O)Cc1cc(O)nc(O)n1	779771098	FYYUEYQZYAZOGS-JTQLQIEISA-N	308.382	1.995	50	20	DDGD	
CCS(=O)(=O)c1ccccc1C(=O)NNc1ccccn1	777469071	QTTOBJZOALRXGP-UHFFFAOYSA-N	305.359	1.632	50	20	DDGD	
COc1cc(F)cc(NNC(=O)Cc2noc(C)c2C#N)c1	779533905	JNEDDBQKBKCKND-UHFFFAOYSA-N	304.281	1.688	50	20	DDGD	
CC(C)CC(CC(C)C)NC(=O)NNC(=O)c1cccnn1	883325233	UNSSBFJNCMNWCM-UHFFFAOYSA-N	307.398	1.881	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCCOc1cccc(F)c1	887141824	KIQGAANYICYEII-UHFFFAOYSA-N	306.337	1.936	50	20	DDGD	
Nc1ncc2c(n1)CCN(C(=O)c1cccc(CCl)c1)C2	1120636490	PGOZESUAPYUGJR-UHFFFAOYSA-N	302.765	1.996	50	20	DDGD	
COC1(C(=O)NNc2c(F)cc(F)cc2F)CCOCC1	885153962	UCYHVSRPUFQUNT-UHFFFAOYSA-N	304.268	1.743	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)C(=O)Nc1cccc(F)c1	784870436	SMCZQESEFSPQDR-UHFFFAOYSA-N	308.700	1.956	50	20	DDGD	
CC(C)[C@@H](F)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	784459827	RXVWDKGLSHJEKG-LLVKDONJSA-N	319.377	1.433	50	20	DDGD	
CC(C)CC(=O)N1CCCC[C@H]1C(=O)NNc1ncccn1	1123590947	XEXHKWGPFFJWQT-LBPRGKRZSA-N	305.382	1.347	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@@H](O)c1ccc(Cl)cc1	881914524	ODENTLRMUPFUKN-LLVKDONJSA-N	312.218	1.922	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1ccccc1-c1ccno1	782478441	OQCQXSDVRBTLOH-UHFFFAOYSA-N	324.362	1.196	50	20	DDGD	
COC(=O)c1ccc(C)c(OS(=O)(=O)CBr)c1	782418038	NGTCUGRPSXNBQQ-UHFFFAOYSA-N	323.164	1.843	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)Cc2ccc3ccccc3c2)CO1	784144541	JPIJKJOVAZKGNI-MLGOLLRUSA-N	312.369	1.955	50	20	DDGD	
Cn1nc([C@@H]2CCCO2)cc1NC(=O)NNc1ncc(F)cn1	788725466	JDNHELUTPPPSKB-JTQLQIEISA-N	321.316	1.349	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CO[C@H](C)C1	784017704	MACDYQCKCGIMTO-VWYCJHECSA-N	310.325	1.165	50	20	DDGD	
COC1(C(=O)NNC(=O)c2cccc(OC(F)F)c2)CCC1	781645759	FMVPNJASTQEBKY-UHFFFAOYSA-N	314.288	1.618	50	20	DDGD	
CCn1cc(C(=O)NN(C)C(=O)OC)c(-c2ccccc2)n1	897721947	PALQEYOUZQIIRE-UHFFFAOYSA-N	302.334	1.913	50	20	DDGD	
Cc1nc2ccccn2c1CNC(=O)NNC(=O)C1CCC1	898972097	HYPPUZMALIJFKV-UHFFFAOYSA-N	301.350	1.273	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1)C(=O)Nc1cccc(F)n1	793035813	GXYRXJDDZAVWPC-UHFFFAOYSA-N	308.700	1.956	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2CCC=CO2)cc1	792802741	KGLGWLGNKXYSFU-AWEZNQCLSA-N	304.346	1.468	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2cc3ccccc3nc2O)CC1	790174778	WAQXVQNYNFSYAZ-UHFFFAOYSA-N	313.361	1.231	50	20	DDGD	
O=C(Cc1ncccc1F)NNC(=O)c1c[nH]c2ccccc12	792029092	ISSYBHDLTOYBQV-UHFFFAOYSA-N	312.304	1.706	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2C[C@H]3CCC[C@@H](C3)C2)c1	796269806	BDMXJKZPRAEGBD-GJZGRUSLSA-N	315.417	1.878	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc2nc(C)n(C)c2c1	798124585	ZZBZVMHKXBSGRN-UHFFFAOYSA-N	303.391	1.177	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)c1cc(C)on1	790296767	ZGKOOMJJPHRVBU-UHFFFAOYSA-N	306.347	1.315	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNC(=O)c1ccc(Cl)cc1OC	796896263	CQAZFTFKXLEAMS-CMDGGOBGSA-N	323.736	1.554	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1nc2cc(Cl)ccc2n1C	1318932883	FZECORNAPNEMGJ-UHFFFAOYSA-N	308.725	1.240	50	20	DDGD	
COC(=O)[C@H](NNC(=O)c1cnccn1)c1ccccc1Cl	1318913787	AFNPFYOBMFJTKW-GFCCVEGCSA-N	320.736	1.279	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccc(-n3ccnc3)nn2)cc1O	1323249924	HLROBHJFUKYWGX-UHFFFAOYSA-N	310.317	1.433	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@]1(C#N)CC12CCCC2	1324722641	YRGYZYUILBDPSV-CYBMUJFWSA-N	312.464	1.319	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccnc(F)c2)c(=O)cc1C	1323740492	ORMSINAOMTXLHW-UHFFFAOYSA-N	320.324	1.094	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1c(C)cnn1CC1CC1	1320250834	ASGFORIAOSANGA-UHFFFAOYSA-N	317.353	1.549	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H](O)c1ccc(Cl)cc1	1324026940	LFDLHVAXQAZWNR-SNVBAGLBSA-N	301.799	1.277	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2sccc2C#N)nc(C)n1	1326283141	KTEIPEZTKBQXLS-UHFFFAOYSA-N	316.346	1.108	50	20	DDGD	
O=C(CCO)NN=Cc1ccccc1I	1252566588	COLJSJLZWWVWRY-UHFFFAOYSA-N	318.114	1.124	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CCCC(=O)c1ccccc1	1333085144	GODGGZUFDPFQNI-UHFFFAOYSA-N	307.419	1.943	50	20	DDGD	
O=C(NN=Cc1c(Cl)nc2ccccn12)C1CCOCC1	1330905002	VJYVTYFXOVKYLC-UHFFFAOYSA-N	306.753	1.864	50	20	DDGD	
COC(=O)Nc1cc(C(=O)NNC(=O)C(C)(C)C)ccc1F	1333669354	VEDNFOHCTYQKAW-UHFFFAOYSA-N	311.313	1.811	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H]2CCOC2)c1F	1348045976	KJDUQEKTEVRNBE-SECBINFHSA-N	311.313	1.275	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2	1342715966	GALGJOBWUPBGGP-BFHYXJOUSA-N	303.362	1.188	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NN=c2cc[nH]c3ccccc23)n1	1261772629	DRPKJRZBOUITCK-UHFFFAOYSA-N	321.340	1.168	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1n[nH]cc1Br	1518659226	BFNFBXCTNCNHFF-UHFFFAOYSA-N	323.150	1.555	50	20	DDGD	
Cn1nc(C(=O)NNC(=S)NC(C)(C)C)cc1C(F)(F)F	1527402784	ZREQDGMLAMSDKM-UHFFFAOYSA-N	323.344	1.346	50	20	DDGD	
C[C@H]1CNc2c(C(=O)NNc3ccccc3C(=O)O)cnn2C1	1604814553	AJPLFMCUUOEQQP-VIFPVBQESA-N	315.333	1.400	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)cc(C)c1C(=O)N1CC=C(C#N)CC1	1605513521	SYDVBDUORPBPQD-UHFFFAOYSA-N	308.345	1.779	50	20	DDGD	
C[C@@H]1CSC[C@H]1NC(=O)NNc1ccc(F)c(C(=O)O)c1	1604824368	ZVWXAOVMVGQLTB-RDDDGLTNSA-N	313.354	1.902	50	20	DDGD	
C[C@@H]1CC[C@@H](CNC(=O)NNc2ccc(C(=O)O)cc2F)O1	1609847405	FXMJLAVUXNSXEG-SCZZXKLOSA-N	311.313	1.718	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)O)c(F)c2)cn1	1600947401	TWLAKBIMJBWNJM-WMZJFQQLSA-N	314.276	1.803	50	20	DDGD	
N#Cc1ccc(CC(=O)NNc2ccc(F)c(C(=O)O)c2)cn1	1608204131	UDTKVFJKCQFKSY-UHFFFAOYSA-N	314.276	1.476	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H](C(=O)O)C2CC2)cc1	1602922964	KOEUJNAJTJUXDZ-ZDUSSCGKSA-N	318.373	1.856	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cccnc2O)cc1Cl	1610835712	GMGJBFIXUHWMRF-UHFFFAOYSA-N	307.693	1.896	50	20	DDGD	
O=C(NN=Cc1cc2cccnc2o1)[C@H]1CN2CCC[C@H]2CO1	1549315962	PXQOLSWGNUDHAL-GXTWGEPZSA-N	314.345	1.141	50	20	DDGD	
O=C(NN=Cc1csc(C2CC2)n1)[C@H]1CN2CCC[C@@H]2CO1	1549319228	SRRJWZCEDCRZAR-CHWSQXEVSA-N	320.418	1.334	50	20	DDGD	
CO[C@H](C=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)C1CCCC1	1549314504	LOBUULDOTBGHDV-RBSFLKMASA-N	309.410	1.157	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1ccc(CSC(F)F)o1	1610782828	CUTUQPMPFZBIRB-UHFFFAOYSA-N	307.278	1.453	50	20	DDGD	
O=C(NN=Cc1cnon1)[C@@H]1CCCO[C@@H]1c1ccccc1	1549083786	NJYUPXUXEYDMQC-ZIAGYGMSSA-N	300.318	1.688	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@@H]1C(=O)NN=C1COCC1(C)C	1549312997	DLQISMSVBKIYLE-AAEUAGOBSA-N	320.393	1.416	50	20	DDGD	
Cn1cc(C(=O)NN=C[C@H]2CCCO[C@@H]2c2cnn(C)c2)cn1	1552449727	OQZNASXNESYARQ-RISCZKNCSA-N	316.365	1.037	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@@H]2C=NNC(=O)[C@H]2CCO[C@H]2C)cn1	1552454977	TYMXETBJMIEFMY-MYZSUADSSA-N	320.393	1.508	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H]1CCCCC[C@H]1N	1579297830	AITSAUXVBGMSMO-WCQYABFASA-N	305.378	1.364	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@@H](N)CC(C)C)c1C	1579770987	AYPOVDGNIUZZFP-KBPBESRZSA-N	321.421	1.592	50	20	DDGD	
Cc1cccc2c1C[C@H](C(=O)NNC(=O)NCC(F)(F)F)N2	1579777362	WPHBUTPERODLIY-SNVBAGLBSA-N	316.283	1.224	50	20	DDGD	
CC(C)(C)[C@H](N)C(=O)NNc1ccc(Br)nc1	1573458651	YXOVWJATFAZXEB-SECBINFHSA-N	301.188	1.661	50	20	DDGD	
C=CCCOCC(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1588808542	HWISMCYNZHYJQS-UHFFFAOYSA-N	313.379	1.173	50	20	DDGD	
CC(C)(CCl)C(=O)N1CC2(CCCN2C(=O)c2cnc[nH]2)C1	1842422227	AQXRHGRILRIIAR-UHFFFAOYSA-N	324.812	1.492	50	20	DDGD	
NCC1(CC(=O)NNC(=O)OCC(F)(F)F)CCCCC1	1580241802	QPVOAKMMVMKCLK-UHFFFAOYSA-N	311.304	1.605	50	20	DDGD	
C/C(=C\C(=O)NNc1ccc(-c2nn[nH]n2)cn1)c1ccccc1	1588765989	MPTSTSWNFJORMB-PKNBQFBNSA-N	321.344	1.808	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1ccc(C(=O)O)c(F)c1)[C@H]1CCCO1	1588374502	YIAAHUFHPKMYKQ-CHWSQXEVSA-N	321.308	1.331	50	20	DDGD	
Cc1nc[nH]c1C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843363896	FJQYODVQOAKORF-JTQLQIEISA-N	314.748	1.070	50	20	DDGD	
COCCN(C)NC(=O)Nc1cnc(C(=O)O)c(Cl)c1	1599232190	NOOPNXGVDKOFLH-UHFFFAOYSA-N	302.718	1.048	50	20	DDGD	
Cc1c(C(=O)NNc2cccc(F)n2)cccc1-c1nn[nH]n1	1591809454	DCFQSQWUAQVQLP-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)C1CCN(OC)CC1	1599376419	SVTQRYGWZQNJOU-UHFFFAOYSA-N	323.349	1.110	50	20	DDGD	
CCc1[nH]c(C(=O)NNC(=O)c2ccccn2)c(C)c1C(=O)O	1597385864	SUICJSLBUFJSQP-UHFFFAOYSA-N	316.317	1.054	50	20	DDGD	
O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NNc1ccc(-c2nn[nH]n2)cn1	1592816893	SUDGLUJAWHXMJK-JBLDHEPKSA-N	313.365	1.531	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2ccc(/C=C/C(=O)O)o2)n[nH]1	1776028634	RMYDOLRXECBJKI-YEHBLRAPSA-N	302.290	1.102	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CSc1ccc(F)c(F)c1	14841435	NMKDOZKXXYDRSV-UHFFFAOYSA-N	319.402	1.961	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)c1cc2ccccc2cc1O	161511931	GYZSHDRXZIMQFZ-UHFFFAOYSA-N	324.340	1.837	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNc1ncnc2nc[nH]c12	161804596	HGGWUZJPVGJSIF-BDAKNGLRSA-N	314.374	1.970	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1	162007309	AIMMGVDBQCLLJQ-UHFFFAOYSA-N	305.313	1.801	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](CCC#N)c1ccccc1	160646226	WYVVSRCXEGAZOS-ZDUSSCGKSA-N	304.350	1.398	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cccc3nn[nH]c23)cc1	163439767	ZBANHUBJIFMGNE-UHFFFAOYSA-N	309.329	1.595	50	20	DDGD	
COCCC1(C(=O)NNc2nc(-c3ccncc3)no2)CCC1	152665439	ZVMJTQWXDHHWFR-UHFFFAOYSA-N	317.349	1.782	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)nc1	157532861	GQGGLKLCAOAARZ-MNOVXSKESA-N	305.382	1.342	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](NC(C)=O)C2CCCC2)nc1	159130418	LKDAYEDDESJNFJ-AWEZNQCLSA-N	306.366	1.228	50	20	DDGD	
FC(F)(F)CN1CCN(CCI)CC1	190788619	GKKVWTRCHKPRIT-UHFFFAOYSA-N	322.112	1.601	50	20	DDGD	
COCC[C@H](CO)NS(=O)(=O)c1ccc(CCCl)cc1	312162941	UCZGXQWSVCKBBT-GFCCVEGCSA-N	321.826	1.144	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc(F)cc1F	8194331	RFGSBSYBOZDVOW-UHFFFAOYSA-N	317.361	1.452	50	20	DDGD	
O=C(Cc1ccccc1)NCC(=O)NNc1ccc(F)cc1F	104130340	DHJVIAGGOKSDIZ-UHFFFAOYSA-N	319.311	1.767	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCN(C)C2CCCC2)s1	104792315	XGEDWDIDXXJITH-UHFFFAOYSA-N	324.450	1.875	50	20	DDGD	
CN1CCC[C@@H](CNC(=O)NNC(=O)CCc2ccccc2)C1	108588405	CJXDXSCCZIKIFJ-HNNXBMFYSA-N	318.421	1.291	50	20	DDGD	
Cc1ccc(C#N)cc1S(=O)(=O)NNC(=O)CC(C)(C)C	114674066	DZPVLBRIIKOKIQ-UHFFFAOYSA-N	309.391	1.612	50	20	DDGD	
Cc1ccccc1-c1nc(C(=O)NNC(=O)CN(C)C)cs1	113425204	JAUNOZLMFOGNAP-UHFFFAOYSA-N	318.402	1.441	50	20	DDGD	
NC(=O)c1cccc(CNC(=O)NNc2c(F)cccc2F)c1	118568890	ALTMGLDXPICNJC-UHFFFAOYSA-N	320.299	1.890	50	20	DDGD	
CCS(=O)(=O)C[C@@H](C)NC(=O)NNc1c(F)cccc1F	118580646	XVVVOTKPLOPNHH-MRVPVSSYSA-N	321.349	1.414	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)N[C@@H]1COc2ccccc2C1	170898169	UVHBGFNPGKCRMQ-LBPRGKRZSA-N	305.378	1.757	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2cccc(C#N)c2)c1C#N	119524139	NAFQKZIGFAMRQU-UHFFFAOYSA-N	319.324	1.820	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(-c2ccccc2)no1	68461257	PYWCSZVZNHSAOT-UHFFFAOYSA-N	318.333	1.322	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1ccc[nH]1)Oc1ccccc1F	173258965	FRQLFZRDPLPMPK-JTQLQIEISA-N	320.324	1.565	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1cccnc1Cl	65204378	WYDDYMWXYQELBF-UHFFFAOYSA-N	324.793	1.983	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@@H](C)CSC	66928662	PBTAWTMIJXRPAL-JTQLQIEISA-N	311.407	1.254	50	20	DDGD	
O=C(NCCn1cccn1)NNC(=O)c1c[nH]c2ccccc12	114972630	FICQMWIBTFYTTO-UHFFFAOYSA-N	312.333	1.009	50	20	DDGD	
CS(=O)(=O)Nc1ccccc1CC(=O)NNc1ccccc1	111554491	VNOAIPVKKGAYQV-UHFFFAOYSA-N	319.386	1.744	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCOC1)c1ccc(Cl)cc1F	175817567	SWSHUXIWSOLQOX-QMMMGPOBSA-N	300.717	1.667	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cc(COC)on2)cc1	173068943	KTJDDMURCKCBDY-UHFFFAOYSA-N	303.318	1.458	50	20	DDGD	
COCCC1(C(=O)NNc2nc3ccccc3c(=O)[nH]2)CC1	127177801	OCWUAHWSSOKMIK-UHFFFAOYSA-N	302.334	1.183	50	20	DDGD	
O=C(NNc1cnccn1)C(=O)Nc1cccc2ccccc12	122325912	PWDYOFKKXITTOI-UHFFFAOYSA-N	307.313	1.712	50	20	DDGD	
O=C(Cc1ccc(C(F)(F)F)cc1)NNC(=O)[C@@H]1CCCO1	32259955	BZJFPONAPSVNGN-NSHDSACASA-N	316.279	1.574	50	20	DDGD	
CCO[C@@H](C)c1nccn1CC(=O)NNC(=O)c1ccccc1	124181939	RRYUGFXMFJQOLZ-LBPRGKRZSA-N	316.361	1.442	50	20	DDGD	
C[C@@]1(COC(=O)CCN2CCCC2=O)C[C@@H]1Br	1348961703	NWUTZGBXINXXHP-CABZTGNLSA-N	304.184	1.716	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cnn(CC2CC2)c1	184411392	UVIQKUBLQFKCLK-UHFFFAOYSA-N	303.326	1.240	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)ncn1	122449267	HPOLSQVKXMWJAD-UHFFFAOYSA-N	314.345	1.242	50	20	DDGD	
CC#CCCCC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	184980443	RTLYNYXEPXHSNN-GFCCVEGCSA-N	306.337	1.934	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)c1csc2ccccc12	73170738	UNPJNCJNIMCYCV-UHFFFAOYSA-N	305.359	1.187	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2ccccc2)nc1C	182713818	ZBPGRURYUYPNMS-UHFFFAOYSA-N	300.318	1.719	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NNC(=O)Cc1cccnc1	185455690	RHFGLCJBOFIGKT-GJZGRUSLSA-N	319.405	1.757	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)C(=O)Nc1cccc2ccccc12	123145648	IEEPPRXGTWUTSE-UHFFFAOYSA-N	322.324	1.568	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)Nc1ccnn1C	125885259	GENGWAPJBWMHGD-UHFFFAOYSA-N	317.349	1.214	50	20	DDGD	
Cc1c(NC(=O)C(=O)NNc2ccc(F)cc2F)cnn1C	188815217	SERARTVBHYIGDX-UHFFFAOYSA-N	309.276	1.089	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CC(=O)NNC(=O)NCc1ccco1	133130653	SELVTWDIGUPHBI-SECBINFHSA-N	320.349	1.909	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@@H](C)CO[C@@H]1CCOC1	185527423	KRAMWFQNBOKXPH-NWDGAFQWSA-N	311.357	1.954	50	20	DDGD	
COCCN(C)c1ccc(/C=C(\C#N)C(=O)N2CCCC2)cn1	191217335	UXUMZXFOTRXXHJ-RVDMUPIBSA-N	314.389	1.694	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ccc(C)cc2)cn1	131453051	HRHXTPZLLSCYHZ-UHFFFAOYSA-N	300.318	1.480	50	20	DDGD	
O=C(NNc1nc2ccccc2c(=O)[nH]1)[C@H]1CC12CCOCC2	137168681	HWLPSSILCBMGAW-LLVKDONJSA-N	314.345	1.183	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Cn1cc(-c2ccccc2)nn1	134030340	OZWXHSQYAJDLLB-UHFFFAOYSA-N	301.350	1.139	50	20	DDGD	
CCc1nnsc1C(=O)NNC(=O)CCc1ccccc1	194774543	OOIHRRULSNWLOC-UHFFFAOYSA-N	304.375	1.494	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(CN2CCCCC2)cc1	139208563	CHENUTANUBTNNA-UHFFFAOYSA-N	304.394	1.636	50	20	DDGD	
Cc1nc(-c2cccs2)ccc1C(=O)NNC(=O)C(C)(C)O	192915054	QPHNRWOJZFXHAO-UHFFFAOYSA-N	319.386	1.650	50	20	DDGD	
CC(C)(C)n1ncc2c(O)nc(NNC(=O)C=C3CCC3)nc21	87351232	LNSBNPGJCDAICG-UHFFFAOYSA-N	316.365	1.840	50	20	DDGD	
C[C@H](CSCc1ccccc1)C(=O)NNC(=O)C(C)(C)O	192932562	FAQIPKKCFNHUNH-LLVKDONJSA-N	310.419	1.474	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@H]2CCn3cncc3C2)c1	93543118	GPUYRTJJKWHSCU-JTQLQIEISA-N	316.752	1.509	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@H](C)C#N)c1C	255137899	GHLXXOKISHLPNX-VJMCZWTHSA-N	314.389	1.934	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@@H](O)C(F)(F)F	268237001	MHAINVOUWOVKGO-MRVPVSSYSA-N	313.707	1.392	50	20	DDGD	
COC(=O)C(C)(C)CNC(=O)NNC(=O)c1ccccc1C	268266177	GDKQFGYOAQQIHR-UHFFFAOYSA-N	307.350	1.138	50	20	DDGD	
COC(C)(C)C[C@H](C)NC(=O)NNC(=O)c1ccccc1O	266805211	OOMCLRBGEONCGW-JTQLQIEISA-N	309.366	1.540	50	20	DDGD	
COc1ccccc1O[C@@H](C)CNC(=O)NNC(=O)C1CCC1	266456497	FDISYSJCWHMVGB-NSHDSACASA-N	321.377	1.593	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CC23CCOCC3)cc1	363314421	MFRITYPHMYQJPY-AWEZNQCLSA-N	318.373	1.338	50	20	DDGD	
C=C(C)[C@@H](CC(=O)NNC(=O)c1cccc(OC)c1O)OCC	270423938	LDZIGBVCVPNPBL-CYBMUJFWSA-N	322.361	1.533	50	20	DDGD	
O=C1CSc2ccc(NC(=O)NNC(=O)C3CCC3)cc2N1	272771545	CCUKDBQBJXONCV-UHFFFAOYSA-N	320.374	1.684	50	20	DDGD	
CCOc1cc(NC(=O)C(=O)NNC(=O)C2CCC2)ccc1C	274111143	ZMSWSOLLPDHHAE-UHFFFAOYSA-N	319.361	1.280	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@H]2CCO[C@@H](C)C2)n1	271985301	KDIOCCCSIFUKCD-RYUDHWBXSA-N	307.398	1.581	50	20	DDGD	
O=C(NNC(=O)N1CCO[C@H]2C[C@H]21)c1cc2ccccc2o1	368643929	OSXQKAUMPISWAD-PWSUYJOCSA-N	301.302	1.260	50	20	DDGD	
COCCO[C@@H]1CCN(C(=O)NNC(=O)c2ccccc2C)C1	275908886	DFULUVMHMLIWLN-CYBMUJFWSA-N	321.377	1.087	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2CCCc3cccnc32)n1	279764395	FZZVKADNYKCZOB-CYBMUJFWSA-N	310.357	1.666	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cnn(-c2ccccc2)n1	273370269	FOBHEMBAVZLDGT-SNVBAGLBSA-N	302.338	1.466	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNC(=O)NC2CC2)cc1OC	272916194	NDEHYYWMFATVSO-JTQLQIEISA-N	321.377	1.375	50	20	DDGD	
Cc1ncc2c(n1)CC[C@H](NC(=O)NNC(=O)CC(C)(C)C)C2	360977221	MOMMONDPYSQBCW-LBPRGKRZSA-N	319.409	1.409	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)CCc1cccc(Cl)c1	284955935	CCQDLVYTDRZYNE-SNVBAGLBSA-N	318.826	1.879	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)N[C@@H]1CCCc2nn(C)cc21	282464378	OUFPLSMDWOGVKV-GFCCVEGCSA-N	307.398	1.564	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C1CCCC1	280201883	FAOCCDMJRMKQFQ-UHFFFAOYSA-N	320.349	1.230	50	20	DDGD	
O=C(CC[C@@H]1CCOC1)NNC(=O)Nc1ccc2c(c1)OCO2	802098803	AXHYDGUWRZUQAB-SNVBAGLBSA-N	321.333	1.385	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1ncnc2ccsc12)C1CC1	297071859	YTRDVSXVKGHRJF-JTQLQIEISA-N	307.379	1.742	50	20	DDGD	
Nc1ccc(C=NNC(=O)c2cc(Br)c[nH]2)cn1	807959015	MFBXLCHMURFWOG-UHFFFAOYSA-N	308.139	1.518	50	20	DDGD	
O=C(NNc1nnc[nH]1)c1cc(Cl)nc(N2CCCC2)c1	294047377	WTZKFUJHRDEBLK-UHFFFAOYSA-N	307.745	1.210	50	20	DDGD	
O=C(C=C1CCCCC1)NNC(=O)CNC(=O)c1ccco1	299660478	LITIVNZQWLDAKV-UHFFFAOYSA-N	305.334	1.047	50	20	DDGD	
COC(=O)c1ccc(CC(=O)NNC(=O)NC2CCCC2)cc1	294580228	BPDDSDROJFRAOO-UHFFFAOYSA-N	319.361	1.289	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C(F)F)cc1	801107398	VAWKLRAGFHHYSX-UHFFFAOYSA-N	313.304	1.372	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21)Nc1ccc(Cl)cc1	802015261	HBMQMEFYSZNYJX-IJLUTSLNSA-N	309.753	1.918	50	20	DDGD	
CCc1nnc(CNC(=O)NNc2ccc(OC)cn2)s1	290971080	OLIZGCRIAVKTSU-UHFFFAOYSA-N	308.367	1.330	50	20	DDGD	
CSC1(C=NNC(=O)[C@H](C)CN2C[C@H](C)O[C@@H](C)C2)CC1	800808825	RTLKYNQPAIOBHQ-AGIUHOORSA-N	313.467	1.729	50	20	DDGD	
O=C(NNc1ncccc1F)C(=O)Nc1ccc(Cl)nc1	807302065	WDCSUKDDNGIZIV-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNS(=O)(=O)c2ccc(C3CC3)cc2)O1	295169557	GDLKSPPFPQVJKS-HZMBPMFUSA-N	324.402	1.441	50	20	DDGD	
Cn1cc(CC(=O)NNC(=O)N=c2cc[nH]cc2)c2ccccc21	802026879	MGSFQZKCFVPUCY-UHFFFAOYSA-N	323.356	1.391	50	20	DDGD	
O=C(NNC(=O)c1cccc2cccnc12)c1cccc(CO)c1	813430556	RPJNXLKCVOKZPU-UHFFFAOYSA-N	321.336	1.802	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1ccc(C)c(C(=O)OC)c1	816689832	ZBPFFMODRLBSMJ-LBPRGKRZSA-N	324.377	1.666	50	20	DDGD	
CCOc1ccc2c(c1)C(=NNC(=O)c1cnccn1)CCO2	814793755	MQWUZIZSNMBMLG-UHFFFAOYSA-N	312.329	1.792	50	20	DDGD	
C#CCOc1cccc(Cl)c1C=NNC(=O)Cc1cc[nH]n1	814953933	RQTHHBDNDXQMPM-UHFFFAOYSA-N	316.748	1.768	50	20	DDGD	
CO[C@@](C)(C=NNC(=O)c1cc([N+](=O)[O-])ccc1O)C1CC1	814857908	BSIIBMPDGCUVIQ-AWEZNQCLSA-N	307.306	1.831	50	20	DDGD	
Cc1nnsc1C=NNC(=O)CSc1ccccc1O	814970983	LUNJZKHFPAGBJW-UHFFFAOYSA-N	308.388	1.795	50	20	DDGD	
CC(C)OCc1nc([C@@H](C)NC(=O)NNC(=O)C(C)C)no1	811971853	GXFCRZYMZYGLHJ-SECBINFHSA-N	313.358	1.042	50	20	DDGD	
CN(C)[C@@H]1CCCC(=NNC(=O)COc2ccccc2O)C1	814951489	GFPJHWKCZCUCQW-CYBMUJFWSA-N	305.378	1.747	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)[C@@H]1C[C@H](CC(=O)O)C1(C)C	814787657	QJVCTUCISFZDGC-YPMHNXCESA-N	320.393	1.890	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc2c(C(F)F)nn(C)c2s1	492134940	PZOIFVMZFXPNRG-UHFFFAOYSA-N	318.305	1.963	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1ccc(OC)c(C)c1C	491440753	OGSYLDCEFZXMQI-UHFFFAOYSA-N	302.352	1.251	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2SCCc3ccccc32)nc(N)n1	828371882	OOWMCFOGEFLUDP-CYBMUJFWSA-N	315.402	1.841	50	20	DDGD	
CSSCCNS(=O)(=O)c1ccc2c(c1)nnn2C	827584770	WNNUIHBDVHPOLI-UHFFFAOYSA-N	318.449	1.258	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NNC(=O)C1CC1	496583502	BDLBMCFMYOPFII-NSHDSACASA-N	324.381	1.131	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)NNc1ccccc1)C2	496249729	WLERQHFNVCTVPK-YUTCNCBUSA-N	301.346	1.773	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(C(F)(F)F)ccc1NC	823799470	RJSDUPJVWZWOKG-UHFFFAOYSA-N	304.272	1.711	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)nc1	728855573	IMCVHRFFANVHJG-UHFFFAOYSA-N	318.336	1.548	50	20	DDGD	
COCCN(C)NC(=O)CCCN(C)C(=O)OC(C)(C)C	497228853	OPTBZVDGYHCUHP-UHFFFAOYSA-N	303.403	1.243	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2cn(C)c3ccccc23)CO1	825552152	SFXVKLBEUHXSOC-QWRGUYRKSA-N	316.361	1.300	50	20	DDGD	
Cn1ccc(CCC(=O)NNc2ncccc2C(F)(F)F)n1	825985073	WZWRBDOJXWEUML-UHFFFAOYSA-N	313.283	1.910	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CCc2cncs2)n1	826971348	XKCUGZIXDZXTCA-UHFFFAOYSA-N	320.422	1.855	50	20	DDGD	
O=C(NNS(=O)(=O)c1cccc2ccoc12)C1CCCC1	829704073	AHKNZBOZMYCYGV-UHFFFAOYSA-N	308.359	1.933	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NC1CCC(F)(F)CC1	826802823	MYAXRPJWGMICEZ-PSASIEDQSA-N	305.325	1.320	50	20	DDGD	
Cc1cc(F)c(CC(=O)NNC(=O)CC(F)(F)F)cc1F	825503771	HOSRVSRBNBONIO-UHFFFAOYSA-N	310.222	1.916	50	20	DDGD	
O=C(c1cccnc1SC(F)(F)F)N1CC[C@@H](B(O)O)C1	585072276	KZQCQYJSIWLOAM-SSDOTTSWSA-N	320.101	1.382	50	20	DDGD	
N#C[C@H]1CC[C@@H](NC(=O)NNC(=O)COCc2ccccc2)C1	823106216	ZLIAJSMXSXVKBE-UONOGXRCSA-N	316.361	1.226	50	20	DDGD	
Cc1ccccc1[C@H]1CCCN1C(=O)c1ccc(B(O)O)cc1	584933300	ZFRDPFMAOJGGKS-QGZVFWFLSA-N	309.174	1.652	50	20	DDGD	
CC(C)COC[C@H](O)CNC(=O)[C@@]1(C)C[C@@H]1Br	907010374	QJHYLDPFQOEBBC-SCVCMEIPSA-N	308.216	1.310	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cc2ccccn2c1	733923823	BZJLIDUAFQJZNH-UHFFFAOYSA-N	323.352	1.952	50	20	DDGD	
CC(C)(C)OC(=O)NC(C)(C)C(=O)NNC(=O)C1CCCC1	490867340	HSAICESKFFNCFD-UHFFFAOYSA-N	313.398	1.627	50	20	DDGD	
OB(O)[C@H]1CCN(Cc2nc3ccccn3c2Br)C1	585077876	XIXGFLHYWDPWTL-VIFPVBQESA-N	323.987	1.146	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CCn1cc(Cl)cn1	731491745	UKXQIMCXZZEWSJ-UHFFFAOYSA-N	322.752	1.396	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)/C=C/c1ccc(C=O)cc1	900000975	AVAFBIUASLHELQ-CMDGGOBGSA-N	305.403	1.806	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)/C=C\c1cccc(Cl)c1	495337772	SLJMZYZMZAAUHV-SREVYHEPSA-N	304.755	1.891	50	20	DDGD	
CCC(=O)NN[C@@H](C(=O)OC)c1cccc(C(F)(F)F)c1	905746821	FIKNUJWYAXVAPK-LLVKDONJSA-N	304.268	1.950	50	20	DDGD	
COC[C@@H](NC(=O)NNc1cccc(-c2nn[nH]n2)c1)C(C)C	821682539	IGIYIUQGXZNXNP-GFCCVEGCSA-N	319.369	1.164	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2ccc(N3CCCC3)nc2)cn1	491006473	DIJZHHJIVUKKJW-ZSOIEALJSA-N	322.372	1.961	50	20	DDGD	
CC(C)Oc1cccc(CNCc2ccc(B(O)O)cc2F)c1	585016929	FDMDSFHSIUQOGP-UHFFFAOYSA-N	317.169	1.583	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(C)c1c(F)cccc1F	732198539	WCSWFQVNBXWFLR-JTQLQIEISA-N	313.348	1.983	50	20	DDGD	
C[C@@H](c1ccccc1)N1CC[C@H](NCc2ccccc2B(O)O)C1	585022790	ZQEWELNXUHFDAI-YJBOKZPZSA-N	324.233	1.292	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccn3)CC2)cn1	491046644	HMKHXJMFYPQITN-GDNBJRDFSA-N	322.372	1.071	50	20	DDGD	
COc1cc(OC)nc(C(=O)NNc2cc(C)cc(C)c2)n1	907097197	OBSJUBUKUGGIMT-UHFFFAOYSA-N	302.334	1.868	50	20	DDGD	
CCOC(=O)[C@@H]1CN(C[C@H](C)CBr)CC12COC2	830274801	TWLKNTZHBVPHBC-MNOVXSKESA-N	320.227	1.529	50	20	DDGD	
CCO[C@H]1COCC[C@H]1NC(=O)NNc1ncc(F)cc1F	838552235	OJPKUTCPKNLILE-MNOVXSKESA-N	316.308	1.180	50	20	DDGD	
Cc1cccc2[nH]cc(CC(=O)NNC(=O)[C@@H]3CCCCO3)c12	833250525	IMEGCSQOFFJWPK-AWEZNQCLSA-N	315.373	1.735	50	20	DDGD	
CC(C)(C)c1nc(CNCc2ccccc2B(O)O)cs1	585020620	DJKQXFUVSJZLGD-UHFFFAOYSA-N	304.224	1.410	50	20	DDGD	
CCCCc1nc(COC(=O)/C(C#N)=C\c2cnn(C)c2)no1	837970474	DDNGSKKRHMIOBN-SDQBBNPISA-N	315.333	1.796	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1c(C)[nH]c(C(=O)O)c1C	832977571	ULUFQZPKGDGQST-UHFFFAOYSA-N	315.329	1.713	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cc(O)cc(Cl)c1	901196824	TXQJAVJDIHWGKD-UHFFFAOYSA-N	311.769	1.801	50	20	DDGD	
C[C@@H](O)C[C@H](CNCc1ccc(B(O)O)cc1)c1ccccc1	585027905	AKXMEXLXPAPEHB-RHSMWYFYSA-N	313.206	1.011	50	20	DDGD	
COc1ccccc1[C@H](C)CNCc1ccc(B(O)O)cc1F	585019989	MENUPDHJQXIAMW-GFCCVEGCSA-N	317.169	1.407	50	20	DDGD	
Cc1n[nH]cc1CCCNC(=O)[C@]1(C)C[C@@H]1Br	906103616	RBUMVRLBZOPRHA-CMPLNLGQSA-N	300.200	1.940	50	20	DDGD	
O=C(N[C@@H]1CCCc2sccc21)c1ccc(B(O)O)c(F)c1	584976995	VHZDRXRFFUFSJF-CYBMUJFWSA-N	319.166	1.374	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccccc1Cl)Cc1ccon1	739932211	YUQLJIJKNSFJMP-UHFFFAOYSA-N	322.752	1.221	50	20	DDGD	
Cn1cc(CCC=NNC(=O)COc2ccccc2F)cn1	834922380	PYOWDNRYXCKOQB-UHFFFAOYSA-N	304.325	1.673	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CS[C@@H](C)CC(=O)O	832977948	ZJLXQKRJKTYTOW-NSHDSACASA-N	324.402	1.281	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C2CC3(CC3)C2)nc1C	831780051	NOOVJQKNRKFJBR-UHFFFAOYSA-N	304.350	1.595	50	20	DDGD	
C[C@H]1CCCN(CCCCNCc2ccc(B(O)O)cc2F)C1	585015664	JNGGLEZBDACVDY-AWEZNQCLSA-N	322.233	1.107	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@@H]2CCCC(=O)N2)c(F)c1	837207457	WDPBFBXNNSFRHD-JTQLQIEISA-N	323.324	1.114	50	20	DDGD	
C[C@H](C[C@@H]1CCOC1)NC(=O)NNc1ncc(F)cc1F	838516769	QMTUQWNYULMGCR-BDAKNGLRSA-N	300.309	1.801	50	20	DDGD	
C[C@H]1CCCC[C@@H]1CNC(=O)NNC(=O)N=c1cc[nH]cc1	837866569	TVKNIJRXADYFIQ-NWDGAFQWSA-N	305.382	1.666	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NN=c1sc2ccccc2n1C	839455862	IDDXLWNYJSQDLB-JTQLQIEISA-N	320.418	1.319	50	20	DDGD	
C[C@@H](CBr)COC(=O)[C@@H]1CCCN1C(=O)C1CC1	830316249	KHWULGBUOFQSBB-ONGXEEELSA-N	318.211	1.962	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNc1cccc(C(F)(F)F)n1	839688981	URZPSNAMYYAOCF-MRVPVSSYSA-N	318.299	1.691	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)o1	915933420	WLEJSPRDTHHBAI-UHFFFAOYSA-N	317.257	1.738	50	20	DDGD	
CC(=O)N[C@H](CC(=O)NNc1ncccn1)c1cccs1	913044147	YMBPJRPDTPJLNS-SNVBAGLBSA-N	305.363	1.249	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)[C@@H]2CCCCO2)CCOCC1	836427525	BMFUIANGYAETNJ-LBPRGKRZSA-N	313.398	1.093	50	20	DDGD	
C[C@H](OC[C@H]1CCCO1)C(=O)NNc1ccccc1C(=O)O	833535674	LMHASEBAOAYUIO-WDEREUQCSA-N	308.334	1.412	50	20	DDGD	
O=C(NC[C@@H]1CCCNC1=O)NNc1cc(F)c(F)cc1F	838780320	HXYJIDWYNSNBDX-ZETCQYMHSA-N	316.283	1.256	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNC(=O)c1c[nH]c2ccccc12	836604280	GXFKEAVRLMAJOJ-KGLIPLIRSA-N	314.345	1.455	50	20	DDGD	
CC(=NNC(=O)C(=O)NN=C(C)c1ccco1)c1ccco1	916266008	CXUBEUFVCRHXPP-UHFFFAOYSA-N	302.290	1.253	50	20	DDGD	
CC[C@@H]1CCC[C@@H](NC(=O)NNC(=O)[C@@H](C)OCCOC)C1	748634029	VENSTRHPVRXGDE-JHJVBQTASA-N	315.414	1.337	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1ccc(C(=O)O)c(F)c1	849177071	DPCMOBAQSTZINK-XYOKQWHBSA-N	320.320	1.974	50	20	DDGD	
O=C(CN1CCCC1=O)NNC(=O)c1ccc(C2CCC2)cc1	913731950	BUBXACYESFAAML-UHFFFAOYSA-N	315.373	1.338	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)C[C@@H]2CC(=O)N2)C1	912582046	LQLQEJXUEIHJPC-NWDGAFQWSA-N	312.486	1.888	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1	843639356	HVPGJUWUUGMDQP-NJDNHLCCSA-N	319.317	1.180	50	20	DDGD	
C[C@@H](CCCCN)NC(=O)NNC(=O)c1cccc(N(C)C)c1	841993473	DRLRXIURGFEXNI-LBPRGKRZSA-N	321.425	1.214	50	20	DDGD	
CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)NN	841138089	SMBXQPPBGRRZID-UHFFFAOYSA-N	306.366	1.707	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=Cc1ccc(C(=O)O)[nH]1	749811933	HPHJLFCKEQXLKJ-UHFFFAOYSA-N	315.329	1.804	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1ccn(CCN(C)C)n1	847600718	YBDVIBGZYUKQSW-UHFFFAOYSA-N	305.357	1.649	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H](C)c2cccc(Cl)c2)nc1O	743295788	REBYOEBYZIDDAX-ZETCQYMHSA-N	307.741	1.786	50	20	DDGD	
C[C@H](Cc1cnc[nH]1)C(=O)NNc1nccnc1C1CCC1	848070199	JOBKYNYZHSTCLS-SNVBAGLBSA-N	300.366	1.789	50	20	DDGD	
COCC[C@@H](C)CNC(=O)NNC(=O)Cc1ccc(F)cc1	840403163	ROBKMJZZOBBGAU-LLVKDONJSA-N	311.357	1.371	50	20	DDGD	
C[C@H]1c2ccccc2CCN1CC(=O)NNC(=O)C(C)(C)C	744398443	SIYAZSNWHUVODC-LBPRGKRZSA-N	303.406	1.799	50	20	DDGD	
CCCNCCNC(=O)NNc1ccc(F)c(C(=O)OC)c1	841960589	CBCKDPUVIHYSJU-UHFFFAOYSA-N	312.345	1.238	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cccc2cccnc12	748252460	FGNOKIFFMPEERZ-LBPRGKRZSA-N	301.346	1.736	50	20	DDGD	
CO[C@H](C=NNC(=O)[C@@H](C)Oc1ccccc1F)[C@@H]1CCOC1	841613350	WOXTZSPXCLILFI-LALPHHSUSA-N	324.352	1.747	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1cccc2c1CCC2	844568576	FSEWAQXMSRJFDX-CQSZACIVSA-N	315.417	1.594	50	20	DDGD	
Cc1cc(C)c(C(=O)O)cc1C=NNC(=O)[C@@H]1CCO[C@@H]1C	842550162	WGNVREBEWTWYQP-DGCLKSJQSA-N	304.346	1.877	50	20	DDGD	
CC(C)(CO)C(=O)NNC(=O)Cc1cccc2ccccc12	847308807	RXLXVUDEACIYRH-UHFFFAOYSA-N	300.358	1.548	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)C[C@H](C)OC)cc1	749719122	CARIALGVKZTZTF-JTQLQIEISA-N	311.407	1.828	50	20	DDGD	
Cc1cn(-c2c(F)cccc2F)nc1C(=O)NN(C)C[C@@H](C)O	910152274	KIHWPHIRGOHOPL-SNVBAGLBSA-N	324.331	1.416	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1ccc(Br)nc1	842563370	ZCPBSTQOMDSEJX-PSASIEDQSA-N	312.167	1.719	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)NNc2ccc(F)c(F)c2F)C1	746882567	JCKGGIZFFIUZTP-AWEZNQCLSA-N	315.295	1.806	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)C1(C)CCN(Cc2ccccc2)CC1	910152914	WYDWJMGAEDKCBU-OAHLLOKOSA-N	319.449	1.633	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc(CCCl)cc1	917745030	LAUAJQIOBGBLKV-JTQLQIEISA-N	318.826	1.824	50	20	DDGD	
CCC1CCN(S(=O)(=O)NNC(=O)CC(C)(C)C)CC1	849307470	VIUXHLLXMRBMLQ-UHFFFAOYSA-N	305.444	1.410	50	20	DDGD	
C[C@@H](CCCc1cccnc1)NC(=O)NNc1ccncn1	841590613	SOHDHZWAEHYBDV-LBPRGKRZSA-N	300.366	1.909	50	20	DDGD	
COCCn1c(C)cc(C=NNC(=O)Cc2ccncc2)c1C	747641469	CBTQERBZOVWECL-UHFFFAOYSA-N	314.389	1.839	50	20	DDGD	
Cc1nn(C(C)C)cc1C(=O)NNC(=O)c1ccccc1O	848367379	IIZSEZYNOSCAQD-UHFFFAOYSA-N	302.334	1.553	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2ccc(C)c(OC)c2)n1	746634580	KBEOFMZUTUNCQR-UHFFFAOYSA-N	316.361	1.796	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCn1ccc2ccccc21	843978178	WJSFCWRZFTZECC-JSGCOSHPSA-N	315.373	1.604	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H]2COC[C@@H]2C)cc1C	925992177	QEQLUDJHWQLEQB-JSGCOSHPSA-N	321.377	1.048	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NC1CCC(CS(C)(=O)=O)CC1	840725905	KQXTTXLELYYRTN-XFXZXTDPSA-N	314.407	1.150	50	20	DDGD	
COC[C@@H](C)OC(=O)/C(C#N)=C\c1cc2c(cc1OC)OCO2	758814322	CVISAMOGEQNLSP-WOFOBEMUSA-N	319.313	1.909	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H](C)N(CC)C(=O)OC(C)(C)C	858112836	VFQBWKDKLOWFOP-SECBINFHSA-N	303.359	1.409	50	20	DDGD	
O=C(NNC(=O)c1nncc2ccccc12)NC1CCCCC1	929246575	RQOLXMOKKXSTQW-UHFFFAOYSA-N	313.361	1.907	50	20	DDGD	
COC(=O)N(C)CCNC(=O)NC[C@]1(C)C[C@H]1Br	856869151	WDYLOOPKYRYDKW-KCJUWKMLSA-N	322.203	1.157	50	20	DDGD	
C=CCN(CC(=O)NNC(=O)c1ccc(C)cc1)[C@@H](C)COC	852356925	RWXQDADBROEORQ-AWEZNQCLSA-N	319.405	1.279	50	20	DDGD	
CC(CCc1cccc(C(F)(F)F)c1)=NNC(=O)C(N)=O	920359071	QUMCWEVWEISENW-UHFFFAOYSA-N	301.268	1.615	50	20	DDGD	
CO[C@H](C(=O)NC[C@@]1(C)C[C@@H]1Br)c1cnn(C)c1	857387809	NAMNBRWFCCFPHR-JBLDHEPKSA-N	316.199	1.397	50	20	DDGD	
O=C(NC[C@@H]1COCO1)NNc1cc(C(F)(F)F)ccc1F	923848559	FSLOTVSZPQBNMU-MRVPVSSYSA-N	323.246	1.844	50	20	DDGD	
CC[C@]1(COC)NC(=O)N(C[C@]2(C)C[C@@H]2Br)C1=O	857227066	FOPYTYIZDZIAIW-KPXOXKRLSA-N	319.199	1.507	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)C1CC2(CCC2)C1	855829014	OIKGDCJQEKXMJR-UHFFFAOYSA-N	323.437	1.657	50	20	DDGD	
C[C@@]1(C(=O)NNc2ccccc2S(N)(=O)=O)CC=CCC1	857192481	CQPTWQOMSBAYIK-CQSZACIVSA-N	309.391	1.524	50	20	DDGD	
CSC(C)(C)C(=O)NNC(=O)Cn1cnc2ccccc21	854195845	QHZJKXCQVAZGEK-UHFFFAOYSA-N	306.391	1.325	50	20	DDGD	
Cn1c(C(=O)NNC(=O)C(C)(C)c2ccccc2)cccc1=O	756985436	UXLYXNJPNOSJKX-UHFFFAOYSA-N	313.357	1.124	50	20	DDGD	
CO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2F)C1(C)C	753430597	PGKPEJLNMKOCLT-VXGBXAGGSA-N	309.341	1.583	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@]1(C)CCOC1	754008988	HDJAVGHSJLEXRH-MRXNPFEDSA-N	322.361	1.038	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C2CCCC2)cc1[N+](=O)[O-]	757994687	WKULKVZOQBWHQX-UHFFFAOYSA-N	322.321	1.946	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C[C@H]1CCc2ccccc21	755678497	IUACONQJXXIGJZ-CYBMUJFWSA-N	311.341	1.841	50	20	DDGD	
C[C@@](O)(CCc1ccccc1)C(=O)NNc1ncc(Cl)cn1	857730690	VUNVLMGGLKWKCM-OAHLLOKOSA-N	320.780	1.957	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CC[C@]3(CCOC3)C2)c1	858705829	IECLLIYXIGKNGM-AWEZNQCLSA-N	309.391	1.523	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NC[C@]1(C)C[C@@H]1Br	856900871	ZAGQONRBQKWKDB-UFBFGSQYSA-N	320.231	1.927	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NC[C@]2(C)C[C@@H]2Br)CCN1C	856840874	WAEWUDBDKNTIJV-DCQANWLSSA-N	318.259	1.942	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccnn1CCc1ccccc1	856764835	OXUSZNIANXKMFV-UHFFFAOYSA-N	314.389	1.933	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)CCN1CCCS1(=O)=O	855367886	UZRMXFWQOJUZOK-UHFFFAOYSA-N	315.370	1.003	50	20	DDGD	
COC1(CCNC(=O)NNC(=O)c2cccc(F)n2)CCC1	852358211	VJKGRBFHKWWGIT-UHFFFAOYSA-N	310.329	1.124	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=S)NCC1CCC1	855091084	AONOXNXVUNGZTI-YPMHNXCESA-N	313.467	1.877	50	20	DDGD	
O=C(NN=Cc1ccc(F)c(C(F)(F)F)c1)C(=O)NC1CC1	755611522	MZQASNYTJZWCCX-UHFFFAOYSA-N	317.242	1.573	50	20	DDGD	
CC[C@@H]1CN(C(=O)NC[C@@]2(C)C[C@@H]2Br)CCO1	856900394	VSLCRJGGFLKRSX-JFGNBEQYSA-N	305.216	1.980	50	20	DDGD	
CC[C@@H](C)N(CC)CC(=O)NNC(=O)Cc1ccccc1C	852291787	ZPQGOURIDNXVHD-CQSZACIVSA-N	305.422	1.805	50	20	DDGD	
O=C(C[C@H]1C=CS(=O)(=O)C1)NNc1cc(F)cc(Cl)c1	855619425	LLAAJIAKLOMRPA-MRVPVSSYSA-N	318.757	1.871	50	20	DDGD	
CCOCCC1(CNC(=O)NNC(=O)c2cn[nH]c2)CCCC1	858297886	KUEDYOBCNPJEJE-UHFFFAOYSA-N	323.397	1.341	50	20	DDGD	
CC(C)NC(=O)CCCC(=O)NC[C@@]1(C)C[C@@H]1Br	857400606	IGNPXNNJQZXONJ-GXFFZTMASA-N	319.243	1.971	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@]1(C)CCC[C@@H]1C	854285557	MWDPAZBVZYZHNG-SMDDNHRTSA-N	301.456	1.687	50	20	DDGD	
Cc1cccnc1NNC(=O)NC1CCN([C@H]2CCOC2)CC1	852636956	AAIUQXDUNLCYAY-AWEZNQCLSA-N	319.409	1.269	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CC23CCC3)cc1	759987043	BDLLYGBTZBMYJG-CYBMUJFWSA-N	316.357	1.489	50	20	DDGD	
Cn1nnc2cc(C(=O)NNc3cnnc4ccccc34)cnc21	758163444	SSVVYFZSTBAVPI-UHFFFAOYSA-N	320.316	1.063	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@@H]2CCC(=O)N2C)c1F	854884959	UVFPAGZJTKCIIN-VIFPVBQESA-N	323.324	1.066	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)[C@H]1CCCN1c1ncccn1	856095246	JBHOWUFJHKTTTM-LLVKDONJSA-N	318.768	1.637	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(NC3CC3)nc2)o1	752781450	SLXAPGOLHJJKKG-UHFFFAOYSA-N	300.318	1.632	50	20	DDGD	
COc1ccc(OCC(=O)NN=c2cc[nH]c(C)c2)cc1C	862513558	SMWXQRPDCUXLCW-UHFFFAOYSA-N	301.346	1.651	50	20	DDGD	
CCc1cc(C(=O)OC)ccc1NC(=O)NNC(=O)C(C)C	932815018	YIFWDTSMYMFUSP-UHFFFAOYSA-N	307.350	1.844	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1ccc(F)cc1Cl	763816026	AODVMLMVKQCGOK-UHFFFAOYSA-N	301.705	1.221	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	764501186	VXQQACTWVXKAIQ-UHFFFAOYSA-N	321.381	1.733	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)Cc2c(C)nn(C)c2C)c1	862475612	QGTRXFAGIRLFJA-UHFFFAOYSA-N	306.391	1.411	50	20	DDGD	
CCCCCCOCc1nc(-c2cccc(B(O)O)c2)no1	863893425	VIOXTIMLZRFCRD-UHFFFAOYSA-N	304.155	1.513	50	20	DDGD	
O=C(NN=C1CCCOc2ccc(F)cc21)C(=O)NC1CC1	863967677	RTIHFUSFOPSCIW-UHFFFAOYSA-N	305.309	1.097	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccccc1CC#N)C1CC1	869219162	UWURDDGUHJGCJK-JTQLQIEISA-N	302.403	1.660	50	20	DDGD	
Cc1cccc(NNC(=O)C(=O)Nc2scnc2C2CC2)n1	861960025	KFMBUEUCDYOAKH-UHFFFAOYSA-N	317.374	1.806	50	20	DDGD	
Nc1ccc(C(=O)NN=Cc2cnc(C3OCCO3)s2)cc1	761744008	HBHQDPOEGKQXBQ-UHFFFAOYSA-N	318.358	1.535	50	20	DDGD	
C[C@]1(CNC(=O)/C=C/CN2CCOCC2)C[C@@H]1Br	869357029	NTJQPJIBYVKHHP-XTGUKYSCSA-N	317.227	1.165	50	20	DDGD	
Cc1conc1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	864473259	ZSJAOCYFHZZOIW-UHFFFAOYSA-N	303.362	1.960	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cc3c(s2)CCC3)CCO1	769736219	SRVXTKVHQXXKDA-ONGXEEELSA-N	323.418	1.748	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccc(C(C)=O)cc1	764595968	QIXFDBMFXAPJQB-UHFFFAOYSA-N	301.306	1.836	50	20	DDGD	
O=C(OCCn1cncn1)[C@@]12CC[C@@H](C[C@H]1Br)C2	869462284	QIQFZORBKRWBII-HOSYDEDBSA-N	314.183	1.775	50	20	DDGD	
Cc1nc(CC(C)C)sc1C(=O)NNC(=O)c1cn[nH]c1	862471638	IWEGTPCMOSSDOC-UHFFFAOYSA-N	307.379	1.448	50	20	DDGD	
CC(CCCCO)=NNC(=O)c1cccc(S(C)(=O)=O)c1	766695621	KZUYOZGHJXZCHH-UHFFFAOYSA-N	312.391	1.358	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C1(C#N)CC(C)C1	767853489	STWMPEGQNAPVGV-UHFFFAOYSA-N	316.361	1.194	50	20	DDGD	
C=C(C)COCCNC(=O)NNC(=O)COCc1ccccc1	762067736	MARBEWTUWVZCAT-UHFFFAOYSA-N	321.377	1.126	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NNC(=O)[C@H](C)C#N)n[nH]1	768274421	SCFLVKKMTBECCK-SECBINFHSA-N	313.317	1.006	50	20	DDGD	
CC(C)CCn1nccc1NC(=O)C(=O)NNC(=O)C(C)(C)C	761063848	MRBORCAZNFIKAP-UHFFFAOYSA-N	323.397	1.061	50	20	DDGD	
COc1ccc(C#N)cc1NC(=O)NNc1nccnc1OC	764649747	HEDXXVIYVYMEBQ-UHFFFAOYSA-N	314.305	1.514	50	20	DDGD	
Cc1nc(C(=O)NN=c2cc[nH]c3ccccc23)ccc1C#N	1118828663	AQSUQAACIOIYRE-UHFFFAOYSA-N	303.325	1.989	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](C)N1CCc2ccccc21	764469948	URLXCPHMMDOBHF-LLVKDONJSA-N	313.361	1.380	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2coc(C3CC3)n2)c1	763284070	PUCSTJWEZAZMBH-UHFFFAOYSA-N	314.345	1.693	50	20	DDGD	
O=C(Cn1cnc(-c2ccccc2)n1)NNC(=O)C1CCCC1	761300740	QNCGVAYWPNVTFG-UHFFFAOYSA-N	313.361	1.283	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C#Cc2ccccc2)cc1	772071631	QOPBXLMSZNXFOG-UHFFFAOYSA-N	322.364	1.827	50	20	DDGD	
COCCOCC(=O)NN=C1CCN(Cc2ccccc2)[C@H]1C	872400745	PYQMAUPZXPMMQL-AWEZNQCLSA-N	319.405	1.416	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNc1ccc(Br)nc1	771383992	LNMRFTJPOJITPE-VXNVDRBHSA-N	300.156	1.712	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@H](C)CCc2cccn2C)cc[nH]1	875315738	YDDRGDPHJGLMOL-GFCCVEGCSA-N	301.394	1.798	50	20	DDGD	
COc1cc(C(=O)NNc2ccc(-c3ccccc3)nn2)nn1C	776166470	JEAMQCKKDCDWBD-UHFFFAOYSA-N	324.344	1.643	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccoc1Br	772144356	BBUPPJVOEQNWQB-UHFFFAOYSA-N	302.128	1.396	50	20	DDGD	
O=C(CO)NN=C1CCCOc2c1ccc(Cl)c2Cl	776783167	YNRFBUIBZUNEOH-UHFFFAOYSA-N	303.145	1.979	50	20	DDGD	
CC1(C)OCC(C)(C(=O)NNC(=S)Nc2ccccn2)CO1	874956172	OAJJUPUMROXXBX-UHFFFAOYSA-N	324.406	1.188	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2c(C)cccc2F)cn1	770824432	XSQHURXZWQWLKB-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
Cc1nocc1CNC(=O)NNC(=O)c1cccc(N(C)C)c1	875953336	QSHFHXVDZKOCDQ-UHFFFAOYSA-N	317.349	1.193	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1	775191182	DVTYYABTUXEQOZ-VHSXEESVSA-N	308.338	1.191	50	20	DDGD	
COc1ccccc1[C@@H](C)CC(=O)NNC(=O)c1cccnn1	882058351	GYUHBAPDYBJNMB-NSHDSACASA-N	314.345	1.440	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)NC2CCCC2)cc1O	772513152	WBDHGSHFZSARQU-VQHVLOKHSA-N	319.361	1.687	50	20	DDGD	
Cc1ncc2c(n1)CCC[C@H]2NS(=O)(=O)CCCCl	881905056	MRXUAVXFXDQUCO-GFCCVEGCSA-N	303.815	1.711	50	20	DDGD	
CCOCCOCCCC(=O)NNC(=O)c1ccc(C)c(O)c1	882051912	RBHZNAZNVYQYJE-UHFFFAOYSA-N	324.377	1.295	50	20	DDGD	
COCC[C@@H](Cc1ccco1)NS(=O)(=O)CCCCl	882059120	STRWSYMYPALRQC-NSHDSACASA-N	309.815	1.776	50	20	DDGD	
C[C@@H]1NC(=O)[C@H](C)N(S(=O)(=O)CC(C)(C)CCl)[C@@H]1C	882312867	FUZBIUROGVRUNW-AEJSXWLSSA-N	310.847	1.179	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1csc(Br)c1	779817669	UKRSROWQOUMUHE-UHFFFAOYSA-N	320.168	1.317	50	20	DDGD	
C[C@]1(CNS(=O)(=O)CBr)CCCC[C@@H]1O	782467843	GXONIPKWQOLBAX-DTWKUNHWSA-N	300.218	1.199	50	20	DDGD	
CC(C)CN1N=C(C(=O)NNc2ncncc2Cl)CCC1=O	781835637	FLWOXNVXCSXZAC-UHFFFAOYSA-N	324.772	1.208	50	20	DDGD	
O=C(C[C@H]1CSCCS1)NNc1ncncc1Cl	781828990	GHDXVNLTIKLHPQ-ZETCQYMHSA-N	304.828	1.812	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)NC(C)C)c(F)c1Cl	788739791	YGNIPRQIIUAYTR-UHFFFAOYSA-N	315.732	1.073	50	20	DDGD	
COCC1(S(=O)(=O)NNC(=O)c2ccc(Cl)cc2)CC1	882658697	ABBKTTOLUZNHFR-UHFFFAOYSA-N	318.782	1.083	50	20	DDGD	
N#Cc1ccc(NNC(=O)NCCOCC(F)(F)F)nc1	887671728	CMIMWRBTEVBNOU-UHFFFAOYSA-N	303.244	1.158	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc(C#N)c(O)c2)n1	785409229	HWPGNVNPXSOGPG-UHFFFAOYSA-N	303.709	1.773	50	20	DDGD	
O=C(NC[C@@H]1Cc2ccccc2O1)NNc1ncncc1Cl	780959656	HRQFJQOSSVYZSM-JTQLQIEISA-N	319.752	1.760	50	20	DDGD	
CO[C@]1(C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)CCSC1	897420404	SWQSFDRZVBILLQ-GFCCVEGCSA-N	315.326	1.699	50	20	DDGD	
O=C(NNC(=O)C12CCC(CC1)C2)c1ccc2c(c1)OCO2	784992478	ABBDODGMJSPYPT-UHFFFAOYSA-N	302.330	1.757	50	20	DDGD	
O=C(NN=C1CCCOc2cc(F)ccc21)c1cnccn1	781590052	TUKTVBQXGVJRRW-UHFFFAOYSA-N	300.293	1.922	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cncc2nc(C(F)(F)F)[nH]c12	899947158	OGYWYECNLGGXCO-UHFFFAOYSA-N	315.255	1.394	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C2(SC)CC2)c1	789902028	FFEFVEPDECORSW-UHFFFAOYSA-N	309.391	1.150	50	20	DDGD	
CC(C)n1cc(NC(=O)C(=O)NNc2cc(Cl)ccn2)cn1	784856648	PVQVSKUDLMNHHJ-UHFFFAOYSA-N	322.756	1.594	50	20	DDGD	
CC/C(C)=C(/C)C(=O)NNC(=O)COc1ccc(C#N)cc1	780847878	DHHYOXKIEAIGKI-QXMHVHEDSA-N	301.346	1.831	50	20	DDGD	
COC[C@@H](C)OC(=O)/C(C#N)=C/c1cccc(C(=O)N(C)C)c1	899339288	PVPXCSWQHPIUPU-KMHUVPDISA-N	316.357	1.873	50	20	DDGD	
C=CCN1CC[C@@H](OC(=O)/C(C#N)=C/c2ccc(O)cc2)C1=O	798631026	FCAZQFAQJMDEAU-NRMKIYEFSA-N	312.325	1.629	50	20	DDGD	
CCCNC(=O)NNC(=O)C(C)(C)c1cc(F)cc(C#N)c1	795624567	HHGVMUBNYGVIES-UHFFFAOYSA-N	306.341	1.715	50	20	DDGD	
COc1cc(C(=O)NN=C2CCOC[C@@H]2C)cc(OC)c1OC	794455993	MDNCPVHETUUSPE-JTQLQIEISA-N	322.361	1.855	50	20	DDGD	
CCn1ncc2cc(C(=O)NNc3cc(C)ncn3)c(C)nc21	799836704	YNRMXGWOTNMNNZ-UHFFFAOYSA-N	311.349	1.615	50	20	DDGD	
COc1ccccc1CONC(=O)NNC(=O)c1ccc[nH]1	798539919	QKABNDOXGLHWLH-UHFFFAOYSA-N	304.306	1.099	50	20	DDGD	
Cc1cc[nH]c1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	797793828	XUWCUQOTPYHCSN-JTQLQIEISA-N	305.309	1.691	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41	793602891	ZAKAGIJXYOSAGP-MTTMPXCWSA-N	323.396	1.166	50	20	DDGD	
CC(C)=CCNC(=O)NNC(=O)COc1ccccc1[N+](=O)[O-]	790537160	WQUMIAWTJFLJML-UHFFFAOYSA-N	322.321	1.270	50	20	DDGD	
CSSCCNC(=O)c1ccc(NS(C)(=O)=O)cc1	791096967	JLVZRUOJEQMJOF-UHFFFAOYSA-N	320.461	1.799	50	20	DDGD	
O=C(NNC(=O)c1ncccc1Br)c1ccccn1	792760613	CCKGJGUPVSMDDZ-UHFFFAOYSA-N	321.134	1.314	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNc1nc2ccccn2n1	791258921	UUDAHHFOUDBYHQ-JTQLQIEISA-N	315.308	1.779	50	20	DDGD	
Cc1nn(C)c(-n2ccnc2C)c1C(=O)NNC(=O)C(C)(C)C	793076093	KXRDYMHIMIGLPO-UHFFFAOYSA-N	318.381	1.030	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(-c2ccc(Cl)cc2)nn1C	1329806703	NNQLHBRYSWFQSJ-JTQLQIEISA-N	322.796	1.698	50	20	DDGD	
Cc1nc(N(C)C)sc1C(=O)NNC(=O)CC1CCCC1	1320144777	XNGIJMMNHUMKIN-UHFFFAOYSA-N	310.423	1.859	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C2(Oc3ccccc3)CC2)n1	1325782856	POHWQKVRQFMLDO-UHFFFAOYSA-N	314.345	1.848	50	20	DDGD	
O=C(NNC(=O)c1cnoc1C1CC1)c1cccc([N+](=O)[O-])c1	1322799684	AKQCTIAZQWCLMO-UHFFFAOYSA-N	316.273	1.535	50	20	DDGD	
CCc1ccc(NC(=O)NNC(=O)C2CCNCC2)cc1C	1328694040	WRSSGGYBPQPCPS-UHFFFAOYSA-N	304.394	1.710	50	20	DDGD	
C[C@@]1(C(=O)NNc2cncc(Br)c2)CCOC1	1254705910	UEUJCZNMWRNUFQ-LLVKDONJSA-N	300.156	1.714	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ncoc1-c1ccccc1	1251793665	OXNNCWGKPKSGPW-UHFFFAOYSA-N	304.375	1.859	50	20	DDGD	
CC(C)S(=O)(=O)c1ccc(C(=O)NNc2ccn(C)n2)cc1	1320948514	HZZGNZWNYLGVMK-UHFFFAOYSA-N	322.390	1.359	50	20	DDGD	
CCCc1nc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)co1	1320448947	ZAGUNQIHGBNLOH-UHFFFAOYSA-N	317.349	1.304	50	20	DDGD	
COc1ccc(F)cc1CCNC(=O)NNC(=O)C1CCC1	1337059665	WWLMFDQSKOGYAH-UHFFFAOYSA-N	309.341	1.507	50	20	DDGD	
C[C@@H]1CCN(CCNC(=O)NNC(=O)c2ccccc2Cl)C1	1333823122	FAQHFUFXSISJBW-LLVKDONJSA-N	324.812	1.626	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cccc(C[S@@](C)=O)c1	1334790113	HOBQYWALWLXGLZ-OAQYLSRUSA-N	306.387	1.130	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](C(=O)NNc2c(F)cc(F)cc2F)C1	1339171033	LRBQQLGLQKWRNP-KNVOCYPGSA-N	302.252	1.746	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](C(=O)OC[C@]2(C)C[C@@H]2Br)C1	1345265054	IITXKAXDISLLCY-NHRVJRKFSA-N	305.168	1.902	50	20	DDGD	
O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1C[C@@H]1F	1349341929	FXNHBOYLFJZSFW-BDAKNGLRSA-N	308.281	1.484	50	20	DDGD	
Cn1ccc(NNC(=O)[C@H](CC2CC2)NC(=O)OC(C)(C)C)n1	1353664770	UXBWJWJOQQEVIC-NSHDSACASA-N	323.397	1.557	50	20	DDGD	
O=C(OCCCI)[C@H]1CC[C@H]1C(=O)O	1609023436	CWADFVFJPDZQKF-RQJHMYQMSA-N	312.103	1.466	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCC(=O)Nc1cccc(C(=O)O)n1	1601045116	HJZLJARSZBENRR-POHAHGRESA-N	315.285	1.121	50	20	DDGD	
O=C(C[C@H]1C[C@H]2CC[C@H]1O2)NNc1cccc(F)c1C(=O)O	1601250808	QTDHNKRQLBFFIC-KBVBSXBZSA-N	308.309	1.925	50	20	DDGD	
Cc1cc(=NNC(=O)Nc2ccc(C(=O)O)c(F)c2)cc[nH]1	1600283586	YQKLYZFIQANJDP-UHFFFAOYSA-N	304.281	1.798	50	20	DDGD	
CSc1ncc(C(=O)NNc2cccc(C(=O)O)c2)c(O)n1	1607415061	HKJQLWDDLREQAG-UHFFFAOYSA-N	320.330	1.359	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)c(F)c1)c1ccn2nccc2n1	1608480832	COJVCXNXXYNEBL-UHFFFAOYSA-N	315.264	1.324	50	20	DDGD	
O=C(NCCc1cnccn1)NNc1ccc(C(=O)O)cc1F	1601515608	XZDPBUPDHNRXQO-UHFFFAOYSA-N	319.296	1.183	50	20	DDGD	
CC[C@@H](C)CC[C@@H](O)CC(=O)NNc1ccc(C(=O)O)cn1	1609906222	DABGXAROTOAGJH-ZYHUDNBSSA-N	309.366	1.800	50	20	DDGD	
O=C(O)[C@@]12CCCC[C@@H]1CN(S(=O)(=O)CCCCCl)C2	1602206840	UYIMOKAOXJZNRP-DGCLKSJQSA-N	323.842	1.912	50	20	DDGD	
O=C(NN[C@@H](C(=O)O)c1cccc(Cl)c1)[C@H]1CCCCO1	1608479431	GDCUEADHBCPYJH-VXGBXAGGSA-N	312.753	1.656	50	20	DDGD	
O=C(Cn1ncc2ccccc21)NNc1cccc(C(=O)O)c1	1608381728	UPLNVIMHVVWROY-UHFFFAOYSA-N	310.313	1.878	50	20	DDGD	
O=C(NN=Cc1cc(F)cc(F)c1)[C@H]1CN2CCC[C@H]2CO1	1549319724	JCZJLKHJCNBBFH-UONOGXRCSA-N	309.316	1.278	50	20	DDGD	
COc1ccccc1CC(=O)NN=C1C[C@H]2C[C@H](C(=O)O)[C@H]1C2	1610365529	YEHUYYOFYLAVPX-RTXFEEFZSA-N	316.357	1.841	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@H]1CC12CCNCC2	1550083476	BQRMKKMJLAMMQB-CYBMUJFWSA-N	324.856	1.858	50	20	DDGD	
CCCO[C@H]1CS(=O)(=O)C[C@H]1I	157996193	ANEPCRUPSSQPJK-RQJHMYQMSA-N	304.149	1.014	50	20	DDGD	
C#C[C@H](NC(=O)NNc1cccc(C(=O)O)c1C)[C@@H]1CCCO1	1588374119	OVRUECRIEHYNTL-JSGCOSHPSA-N	317.345	1.500	50	20	DDGD	
O=C([C@H](F)Cl)N1CCCC12CN(C(=O)C1(F)CCC1)C2	1843367183	LUKACVISAAIWRU-VIFPVBQESA-N	306.740	1.616	50	20	DDGD	
C[C@H](CC(=O)O)NC(=O)NNC(=O)c1ccc(Cl)cc1F	1589000693	CKPYODMNSFEHEZ-ZCFIWIBFSA-N	317.704	1.286	50	20	DDGD	
C#CC(=O)N1CC2(CCCN2C(=O)[C@](C)(Cl)CCl)C1	1845172947	NFMVTFFXQMWLTP-GFCCVEGCSA-N	303.189	1.059	50	20	DDGD	
O=C(c1ccccc1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl	1847566189	NMWOJYVPLVZLKR-IHRRRGAJSA-N	322.792	1.102	50	20	DDGD	
Cc1nc(C(=O)NNc2cccc(F)c2)ccc1-c1nn[nH]n1	1592349644	WOKSIQILZQBFSV-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
COc1ccc(C)c(C=NNC(=O)[C@H]2CCCCO2)c1C(=O)O	1776077526	AQNCRQMTXZXLPC-CYBMUJFWSA-N	320.345	1.721	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1c(F)ccc(C(=O)O)c1F	1777033732	GCVOOLSDAFWEEE-FNORWQNLSA-N	316.285	1.419	50	20	DDGD	
Cc1ccc(C=NNC(=O)c2sc(N)nc2C)c(C(=O)O)c1	1776029468	UZZATIWFZQOXNJ-UHFFFAOYSA-N	318.358	1.804	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N(C)C)ccc1Br	161571134	KBBTYTWJEQVHAV-UHFFFAOYSA-N	300.156	1.674	50	20	DDGD	
O=C(CCCc1nc(C2CC2)no1)NNC(=O)c1ccncc1	158323472	RANOGMHTWXYBMK-UHFFFAOYSA-N	315.333	1.126	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNC(=O)c1cc2ccccc2o1	151426681	GMLWPLMLTKGYSN-VIFPVBQESA-N	304.302	1.393	50	20	DDGD	
O=C(NNc1ccccc1F)[C@@H]1CC(=O)N(c2cn[nH]c2)C1	153208747	HJALPGVKFZOSNR-SECBINFHSA-N	303.297	1.045	50	20	DDGD	
Cc1cc(NNC(=O)CSCc2cscn2)nc(C)n1	153484580	VYEHPYWABHFMKC-UHFFFAOYSA-N	309.420	1.926	50	20	DDGD	
C[C@H]1CCC[C@@H](C(=O)NNc2nccc(N3CCOCC3)n2)C1	155578456	WPBHYNVIMWILGE-QWHCGFSZSA-N	319.409	1.583	50	20	DDGD	
N#Cc1ccc(NNC(=O)CCS(=O)(=O)C2CCCC2)cc1	155207722	AHVQZNMFZSTFHS-UHFFFAOYSA-N	321.402	1.749	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2ccc(C(C)(C)C)nn2)c[nH]1	154756575	XPHJSKXTXWSZRF-UHFFFAOYSA-N	301.350	1.528	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCCc3sccc32)[nH]n1	159393419	SFVZMYZRLSPBGT-JTQLQIEISA-N	304.375	1.661	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@@H]2CCN(S(=O)(=O)CCl)[C@@H]2C1	832697786	GYSQYXBMAKXOIM-VHSXEESVSA-N	324.830	1.454	50	20	DDGD	
CNC(=O)CC1CCN(CCI)CC1	190922489	GCRHGRQREWWSBA-UHFFFAOYSA-N	310.179	1.270	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)C[C@H]1COC(=O)C1	862287823	WLBLJGFHDIVYOG-GFCCVEGCSA-N	306.318	1.239	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2ccc(C#N)cc2)c1	6333172	ZNGLFVUTARMHIO-UHFFFAOYSA-N	309.325	1.707	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C	7405545	PNBWRUSZHQIKJY-UHFFFAOYSA-N	300.380	1.778	50	20	DDGD	
CC(C)=CC(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1	7651497	SHOKAPZKDPPNLE-UHFFFAOYSA-N	310.737	1.610	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N2Cc3ccccc3C2)cc1	106268014	FCXVXMGDJAOWAU-UHFFFAOYSA-N	306.325	1.928	50	20	DDGD	
COc1ncccc1C(=O)NNc1nc(-c2ccccc2)no1	102790537	VMFNLAVWIGRUMU-UHFFFAOYSA-N	311.301	1.897	50	20	DDGD	
CC(C)NC(=O)CCCC(=O)NNc1ccccc1[N+](=O)[O-]	104835539	MLMXATKNCBVSOF-UHFFFAOYSA-N	308.338	1.733	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1ncn(-c2ccccc2)n1	110103912	YHYJSOUUBLXBJF-JTQLQIEISA-N	319.390	1.305	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N2Cc3ccccc3C2)c1	106270945	HDNTWDWAXHXOFV-UHFFFAOYSA-N	306.325	1.928	50	20	DDGD	
O=C(NCCc1nc2c(s1)CCCC2)NNc1cccnn1	179738264	IIXIWJYMEVCDPM-UHFFFAOYSA-N	318.406	1.681	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1ccc(OCC2CC2)cc1	106417093	CKIQGPVQPKQZGM-UHFFFAOYSA-N	314.345	1.202	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2noc3ccccc23)n1	174481692	USVSCJLOXFCWON-UHFFFAOYSA-N	313.317	1.621	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)o1	175001348	MCZDLINFSVNXNR-BETUJISGSA-N	323.393	1.157	50	20	DDGD	
Cc1cccc2nc(CNC(=O)NNC(=O)c3ccccc3)cn12	69044571	ZIUJIVCMGWEBLQ-UHFFFAOYSA-N	323.356	1.787	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccc(Cl)nn1	118501801	SROGKVHSSBXLKX-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
C#CCCCCC(=O)NNC(=O)COc1ccccc1OCC	179630700	WXDKQUWLKPRUGR-UHFFFAOYSA-N	318.373	1.805	50	20	DDGD	
CCS(=O)(=O)CCNC(=O)NNc1c(F)cccc1F	118575915	WQGMPGIAHVOAOF-UHFFFAOYSA-N	307.322	1.026	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1	68461522	KTVLJTJPURKWAY-LBPRGKRZSA-N	309.366	1.129	50	20	DDGD	
CC(C)Cn1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)cn1	180596365	AVKADEMATGIPIF-UHFFFAOYSA-N	318.352	1.682	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NNC(=O)c1ccncc1	184520890	HRSHZSRZNKTGQS-JSGCOSHPSA-N	305.378	1.828	50	20	DDGD	
O=C(CC1CCCCC1)NCCNC(=O)NNc1cccnn1	77581111	MNVHCCALUBZJEQ-UHFFFAOYSA-N	320.397	1.189	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1cccnc1-n1cncn1	184689130	VILBHXLKFLMFHV-UHFFFAOYSA-N	317.353	1.251	50	20	DDGD	
O=C(NNc1cccnc1Cl)[C@@H]1CC(=O)N(C2CCCC2)C1	128296765	JEJHSOVTXWEYNY-SNVBAGLBSA-N	322.796	1.969	50	20	DDGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NN(C)C(N)=O	182637531	CAZQUKFIDBIAQV-UHFFFAOYSA-N	319.340	1.212	50	20	DDGD	
CCS(=O)(=O)CC(=O)NNc1ccc([N+](=O)[O-])cc1Cl	125246822	KLMOJUOICKJKHK-UHFFFAOYSA-N	321.742	1.126	50	20	DDGD	
C[C@H](C[S@](C)=O)NC(=O)NNc1cc(F)c(F)c(F)c1	182581788	HZKJHTRYADDQDG-ZFFJSCCISA-N	309.313	1.497	50	20	DDGD	
CCCN1CCC[C@@H]1C(=O)NNC(=O)c1ccc(CC)cc1	123856653	WQLPDKVKLKHTCH-OAHLLOKOSA-N	303.406	1.884	50	20	DDGD	
Cc1cc(F)cc(NC(=O)C(=O)NNc2ccc(C)nn2)c1	123815866	OFXNYFICCHJCRE-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
CC#CCCCC(=O)NNC(=O)Cc1nc2ccccc2n1C	184279113	PRROPNAYGAZCER-UHFFFAOYSA-N	312.373	1.457	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@H]1C[C@]1(C)C(C)C	188293088	YJPZKYONRDQLPL-SJKOYZFVSA-N	319.405	1.937	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)Cc1cccc2ccccc12	78876079	DDDUTGSMXYMDHN-JKSUJKDBSA-N	312.369	1.955	50	20	DDGD	
CS(=O)(=O)Nc1ccc(F)cc1C(=O)NNc1ccccn1	181260132	GNAAZGMBLSDARN-UHFFFAOYSA-N	324.337	1.349	50	20	DDGD	
C[C@H](CNC(=O)NNc1cccnn1)Oc1cccc(F)c1	75110797	KMIGWTSGEGQZCF-SNVBAGLBSA-N	305.313	1.709	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1ccc[nH]c1=S	127898796	LPVWFVVLSXEEQM-UHFFFAOYSA-N	317.370	1.722	50	20	DDGD	
O=S(=O)(CCCCCl)NCc1nccn1C(F)F	184440101	CNQLZUYLUOVRAZ-UHFFFAOYSA-N	301.746	1.717	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cn1	180424790	AWOQEHDSEDNRAG-UHFFFAOYSA-N	317.305	1.276	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C1(SC)CC1	188121732	ATEQJLCSBUHOOM-UHFFFAOYSA-N	308.403	1.671	50	20	DDGD	
CC1CCN(CC(=O)NNC(=O)c2cccc(N(C)C)c2)CC1	136043344	DCGQXKLTJFZAGU-UHFFFAOYSA-N	318.421	1.246	50	20	DDGD	
CC[C@@H](C)CC(=O)NNC(=O)Cc1nc2ccccc2n1C	190502269	IEQSOIXETQIPDO-LLVKDONJSA-N	302.378	1.699	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)NCC2CCC2)c1	47053527	BQJQCBVBNDZALQ-UHFFFAOYSA-N	305.378	1.813	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cc1ccc2c(c1)CCO2)C1CC1	83675936	XJBAPBZNWIUKRP-JTQLQIEISA-N	319.430	1.458	50	20	DDGD	
CCOCCCNC(=O)NNC(=O)c1cc2ccccc2o1	195080444	CJDOSMXMQPNUJV-UHFFFAOYSA-N	305.334	1.803	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)COc1ccc(C(F)(F)F)cc1	190066768	QCWTYQPRAWFVAF-UHFFFAOYSA-N	320.267	1.003	50	20	DDGD	
Cc1cc(C)n(Cc2cccc(C(=O)NNC(=O)N(C)C)c2)n1	195371199	WSQZSIPDGMSUJT-UHFFFAOYSA-N	315.377	1.464	50	20	DDGD	
CCc1nnsc1C(=O)NNC(=O)COc1ccc(C)cc1	195100140	NBKOYBIXSHLDMP-UHFFFAOYSA-N	320.374	1.249	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccc(C(=O)NCCC)c1	132025321	DJSQPLGGLADVCJ-UHFFFAOYSA-N	320.393	1.571	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)CCCOc2cccnc2)n1	134031582	XLXRRXXHGXDFQA-UHFFFAOYSA-N	322.756	1.410	50	20	DDGD	
CNC(=O)C(C)(C)CNC(=O)NNc1ccc(C(C)(C)C)nn1	130659670	QVMPYMUZJZCYDO-UHFFFAOYSA-N	322.413	1.172	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1ccnc(-n2ccnc2)c1	195206840	XAEWEHFIFFGUMD-UHFFFAOYSA-N	313.361	1.609	50	20	DDGD	
COc1ccc(C(=O)NNc2nc3ccccn3n2)cc1OC	191901183	OLTXWZRWMVYOEM-UHFFFAOYSA-N	313.317	1.503	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccnc(OC2CCC2)c1	90042836	ZXWQBUOMLFIPLF-UHFFFAOYSA-N	315.333	1.119	50	20	DDGD	
N#Cc1ccccc1/C=C\C(=O)NNC(=O)Cc1ccncc1	255297404	XSNKMOJVOXSFJS-WAYWQWQTSA-N	306.325	1.357	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccc(Cl)c(N2CCNC2=O)c1	266230225	LRQNBYBINWDHPX-UHFFFAOYSA-N	322.752	1.041	50	20	DDGD	
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NNC(=O)C1CCC1	264718819	HOTBQZYUHMFCPY-UHFFFAOYSA-N	313.335	1.013	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1occ2c1CCOC2	367222325	BQQVBMCABRZECH-UHFFFAOYSA-N	305.290	1.090	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C2CC2)cnc1Br	274093151	IUQKKPURWUNUAH-UHFFFAOYSA-N	313.155	1.715	50	20	DDGD	
C[C@@]1(C(=O)NNc2nc(O)c3ccccc3n2)CCCOC1	272666888	JFRSVQWBJRERBZ-OAHLLOKOSA-N	302.334	1.595	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H](CC)c1ccccc1)C(=O)OC	277334278	VRTZUHBWPNRBDU-STQMWFEESA-N	306.362	1.527	50	20	DDGD	
O=C(NNC(=O)C1CC1)C(=O)Nc1ccc(Cl)cc1Cl	274079543	QYLKRRQCGIWOKM-UHFFFAOYSA-N	316.144	1.489	50	20	DDGD	
C[C@H]1C(=O)CC[C@H](C(=O)NNC(=O)c2cccnc2)C1(C)C	275458439	JVNSFHWJZVDDMD-CMPLNLGQSA-N	303.362	1.484	50	20	DDGD	
C=C(C)[C@@H](CC(=O)NNC(=O)COc1ccc(F)cc1)OCC	270119318	LPLPHCXNPJIPBB-CQSZACIVSA-N	324.352	1.723	50	20	DDGD	
CCCC[C@@H](NNC(=O)COCc1ccccc1)C(=O)OC	270587335	RSEGQFXHPRCVMJ-CQSZACIVSA-N	308.378	1.556	50	20	DDGD	
N#CC1=CCN(C(=O)c2cccc(N3CCCNC3=O)c2)CC1	271107074	LPFCEMHTZBSPIB-UHFFFAOYSA-N	310.357	1.902	50	20	DDGD	
O=C(NC[C@@H]1CCCSC1)NNc1nc2ccccn2n1	287918863	IQIPJXKJEONYNH-JTQLQIEISA-N	306.395	1.499	50	20	DDGD	
C[C@]1(C(N)=O)CCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C1	280492464	BKLXITMFSRTYBG-NNSJBKGDSA-N	300.318	1.657	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@H]1CCc2c[nH]nc2C1	370412608	ALNATGFXODTQLB-QMMMGPOBSA-N	307.745	1.037	50	20	DDGD	
CO[C@H]1CCC[C@H](CC(=O)NNC(=O)NCc2ccco2)C1	280547144	JULASXPDSWLWGT-RYUDHWBXSA-N	309.366	1.705	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(C(OC)OC)o2)n1	289301803	VRLJGLFDKGOGCN-UHFFFAOYSA-N	322.321	1.435	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ncccc2F)CCCC1	286103081	VQTLPMMVCOGOSW-UHFFFAOYSA-N	301.343	1.021	50	20	DDGD	
COCCN(C)NC(=O)c1cccc(C)c1Br	808073178	FWSDYHHPQQVZHO-UHFFFAOYSA-N	301.184	1.981	50	20	DDGD	
CCOc1ccc(NNC(=O)C(C)(C)S(C)(=O)=O)cc1	294228867	FSBQNUOUTRGQAM-UHFFFAOYSA-N	300.380	1.352	50	20	DDGD	
O=C(NNc1ncccc1F)c1ccc(Cn2cncn2)cc1	804211661	SFJFGVWIXXOLDT-UHFFFAOYSA-N	312.308	1.617	50	20	DDGD	
Cc1cc2c(cc1NC(=O)NNC(=O)[C@@H]1CCCCO1)OCO2	296885979	QUIISRQVWBAVQR-NSHDSACASA-N	321.333	1.446	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)Cn1cc(Cl)cn1	806725173	HEJVROKRZKWOEK-UHFFFAOYSA-N	306.753	1.317	50	20	DDGD	
CCOC(=O)[C@H]1CCCN(C(=O)NCCSSC)C1	807227152	XSRCNGNAWJMREW-JTQLQIEISA-N	306.453	1.982	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H]2CCCN2C2CC2)cc1	802057687	YWAWTIBHMQQEAG-CQSZACIVSA-N	318.377	1.475	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(-n2ccnc2)nn1)c1cccnc1	804954214	LWUZCLFBMQVIKW-UHFFFAOYSA-N	323.360	1.478	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H](OC(C)C)c1ccccc1	292129860	GPAJRJVWGOTPTF-AWEZNQCLSA-N	323.393	1.520	50	20	DDGD	
COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NNC(=O)CC2CC2)c1	294042850	FDXPWGSXSQEGRC-JSGCOSHPSA-N	318.373	1.755	50	20	DDGD	
CC(C)CO[C@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802097187	HHSDJKCMAHYIKQ-SNVBAGLBSA-N	323.349	1.629	50	20	DDGD	
COC(=O)Cc1cccc(C(=O)NNc2ncccc2F)c1	804217649	DJVZFFNULRKMQD-UHFFFAOYSA-N	303.293	1.693	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1O[C@@H](C)C[C@@H]1C	800320429	AFYQUSKNJFVAMR-PKFCDNJMSA-N	316.361	1.217	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)COC(C)C)o1	299395268	IHWNTYZUOGZZMU-UHFFFAOYSA-N	311.382	1.307	50	20	DDGD	
CCCCCCNC(=O)/C(C#N)=C\c1cn(CC(=O)OC)nn1	296023190	URDZAZDSERTMPN-WQLSENKSSA-N	319.365	1.055	50	20	DDGD	
CCOC1CC(=NNC(=O)COc2ccccc2[N+](=O)[O-])C1	814743492	IAZNXHZZKVWOQG-UHFFFAOYSA-N	307.306	1.645	50	20	DDGD	
O=C(NN=Cc1ccc2oncc2c1)C(=O)Nc1ccccn1	814869729	UEEGQJPTVRTOMU-UHFFFAOYSA-N	309.285	1.312	50	20	DDGD	
COc1ccc(OCC(=O)NN=C(C)c2c[nH]nc2C)cc1	814719866	DZIYNZABFRPPMU-UHFFFAOYSA-N	302.334	1.646	50	20	DDGD	
Cc1oc(-c2cccs2)nc1CC(=O)NNc1cnnn1C	816771257	FAZKHTKPGYEPON-UHFFFAOYSA-N	318.362	1.526	50	20	DDGD	
COc1cc(C(C)=NNC(=O)COc2ccccc2O)ccn1	814952035	IEIHBKLLVZZXRB-UHFFFAOYSA-N	315.329	1.715	50	20	DDGD	
CC(C)c1ccc(NC(=O)C(=O)NNc2ncncc2F)cc1	815765052	DNPWEHCJGMTPBJ-UHFFFAOYSA-N	317.324	1.821	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(OCC(F)(F)F)nc1	816562548	PNGWHMBBHFUVRU-UHFFFAOYSA-N	307.272	1.246	50	20	DDGD	
CON(C)C(=O)CNC(=O)NNc1ccc(C)cc1Cl	817804185	QXODJYWEEUALEG-UHFFFAOYSA-N	300.746	1.294	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cnc(C(F)(F)F)cc1C	810267674	DEYRPTSOPRYPMG-UHFFFAOYSA-N	306.244	1.208	50	20	DDGD	
CC1(C)CC(=NNC(=O)c2ccnnc2)c2ccc(O)cc2O1	817341149	LOFYRGMZIWPJGU-UHFFFAOYSA-N	312.329	1.877	50	20	DDGD	
COC(=O)c1cc(C(=O)NNC(=O)Nc2ccccc2C)c[nH]1	816565581	UHOVJVZGWXPVOE-UHFFFAOYSA-N	316.317	1.576	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)[C@@H]1CC2CCC1CC2	816659875	FGZPBKIYMVEFNZ-WXRRBKDZSA-N	312.377	1.932	50	20	DDGD	
Cn1ncc(C=NNC(=O)NCc2ccc(Cl)cc2)c1N	814847275	HMQPFFRWLLWFNP-UHFFFAOYSA-N	306.757	1.489	50	20	DDGD	
CN(C)CC(=O)NN=Cc1ccccc1OCc1cccnc1	727648151	VJGYLMDGKHDKLZ-UHFFFAOYSA-N	312.373	1.672	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C2(C)CCOCC2)cc1	726767253	LSEARNKQYIVITC-UHFFFAOYSA-N	306.362	1.338	50	20	DDGD	
CCc1ccnc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1	825728666	VGWPJUOVGLIYMI-UHFFFAOYSA-N	309.333	1.581	50	20	DDGD	
CCc1ccc(Br)cc1C(=O)NN(C)C[C@@H](C)O	822555949	CQEJEOAYEADLIC-SECBINFHSA-N	315.211	1.969	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)N[C@H]1CCN(C(C)(C)C)C1=O	827076515	REPCYECNAUBUPJ-JTQLQIEISA-N	312.414	1.152	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)/C=C\[C@H]2CCOC2)cc1	493444257	BFYOVGPPNBQFKW-UQYHUFHVSA-N	318.373	1.368	50	20	DDGD	
CC(C)OC(=O)/C(C#N)=C/c1ccc(F)c(-c2nn[nH]n2)c1	824305713	TYKBOBVZRVUEGV-BJMVGYQFSA-N	301.281	1.864	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCc2cncn2C)cc(C#N)n1C	491108980	ZDOSIUHQABKWMR-PQMHYQBVSA-N	308.345	1.162	50	20	DDGD	
CCS[C@@H]1CCCC[C@@H]1NCC(=O)NNC(=O)C(C)C	828970287	UQQJHKLRFSEYAN-NWDGAFQWSA-N	301.456	1.444	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCCC[C@H]1C	820933338	SOBDAQUGUUFCQY-AGIUHOORSA-N	312.410	1.938	50	20	DDGD	
C[C@@H](CCc1ccc(O)cc1)NCc1ccc(B(O)O)cc1F	585022252	LGZISUCIMPGBLN-LBPRGKRZSA-N	317.169	1.322	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCOC[C@@H]2C2CCC2)cn1	491105019	PEWXQNRGGRNIED-KEQVLUGWSA-N	300.362	1.355	50	20	DDGD	
O=C(CCOc1ccccc1)NN=Cc1cnc2n1CCOC2	905442761	OJDYBWTXZXJZEU-UHFFFAOYSA-N	314.345	1.333	50	20	DDGD	
CCCN(NC(=O)CN(C)C(=O)OC)C(=O)OC(C)(C)C	496495784	YUPXFXKGHGLDLE-UHFFFAOYSA-N	303.359	1.363	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(C)[C@H](c1ccccc1)c1nc[nH]n1	909483119	XXMGKOCYJNRAIN-JWAFFJSPSA-N	311.345	1.796	50	20	DDGD	
CCn1cc(C=NNC(=O)NCCNC(=O)OC(C)(C)C)cn1	491499276	QXSCMRNWBKHPAO-UHFFFAOYSA-N	324.385	1.061	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C\c1ccc(S(C)(=O)=O)cc1	490611383	QDNNNPQHQAZABQ-LFTLCWSBSA-N	322.386	1.148	50	20	DDGD	
O=C(Nc1cc2c(cn1)CCCC2)c1cc(B(O)O)ccc1F	584993426	YHAFYCYSEJCMGX-UHFFFAOYSA-N	314.125	1.032	50	20	DDGD	
Cn1nc2c(c1C(=O)NNc1nccnc1C1CCC1)CCC2	908197252	UMQYDSACXUQLJB-UHFFFAOYSA-N	312.377	1.723	50	20	DDGD	
COc1ccc(C(=O)NNc2cc(C)ncn2)c(OC)c1OC	734255629	PPPKLXAVYXNGCU-UHFFFAOYSA-N	318.333	1.568	50	20	DDGD	
CSc1ccc(O[C@@H](C)C(=O)N2CC[C@@H](B(O)O)C2)cc1	585065109	DGCBTDCTVJYUJY-WDEREUQCSA-N	309.196	1.251	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H]1CCCCN1C)c1ccccc1	732291193	BAERDKJXUQCFKW-CABCVRRESA-N	303.406	1.812	50	20	DDGD	
CCNC(=O)[C@@H](NC(=O)[C@@]1(C)C[C@@H]1Br)C(C)C	908403011	KYCVHPZMXDCTGZ-AUTRQRHGSA-N	305.216	1.437	50	20	DDGD	
CC(C)C(=O)NNC(=O)C1=CCN(C(=O)OC(C)(C)C)CC1	495756006	RRKUOAWMHLMJEG-UHFFFAOYSA-N	311.382	1.357	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C(C)Cc1cnccn1	834920096	GMRSSTZJFPEVQT-UHFFFAOYSA-N	313.361	1.632	50	20	DDGD	
CN(C)CC(=O)NN=Cc1ccc(-c2ccccc2C(=O)O)o1	737361545	UWYBOIKFIBUYCP-UHFFFAOYSA-N	315.329	1.657	50	20	DDGD	
C[C@@H](NC(=O)c1cccc(B(O)O)c1)[C@@H]1CCCc2ccccc21	584981021	RDWXSFQTZXPRNB-DYVFJYSZSA-N	323.201	1.605	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(N)=C(C#N)C#N)cc1-c1nn[nH]n1	737077193	SUKDUJAYBVFBAE-ONNFQVAWSA-N	318.300	1.042	50	20	DDGD	
Cn1cc(NCc2ccc(B(O)O)o2)c(C2CCCCC2)n1	585043993	XCWHZXIKWARXCJ-UHFFFAOYSA-N	303.171	1.353	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C2SCCS2)ccc1F	837036376	MNMSAMSMVVHNQA-UHFFFAOYSA-N	316.379	1.862	50	20	DDGD	
O=C(COC(=O)C[C@@H]1CC[C@@H]2C[C@H]12)NNC(=O)c1ccccc1	838140360	ZPKINMXADVTQND-RDBSUJKOSA-N	316.357	1.427	50	20	DDGD	
COc1ccc(C)cc1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	831062342	JDBXPJFVJQIKLF-QWRGUYRKSA-N	307.350	1.581	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@]2(C)CC(C)=NO2)cc1	902838403	ZQJNHDUAKULRCO-MRXNPFEDSA-N	319.361	1.330	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CC2OCCCO2)c1F	837061948	WMBIHMQEYYYPRV-UHFFFAOYSA-N	312.297	1.209	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H](C)CSC)c(F)c1	838481587	JUVJTKVDIIQFHH-QMMMGPOBSA-N	315.370	1.990	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)C[C@@H](c1ccccc1)c1ncc[nH]1	910156808	MMTRAFKAXSTUON-JSGCOSHPSA-N	302.378	1.276	50	20	DDGD	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)NNc1cccnn1	736703954	AIXMEMSGTMLRRJ-UHFFFAOYSA-N	312.333	1.142	50	20	DDGD	
CCC(CC)[C@@H]1C[C@@H](NCc2ccc(B(O)O)cc2F)CCO1	585034780	UDDGMWOBZUZNFC-RDJZCZTQSA-N	323.217	1.579	50	20	DDGD	
COc1ccc2c(c1F)NC(=O)C2=NNC(=O)C1CCCC1	834940303	CHYBOPOOQSCBKH-UHFFFAOYSA-N	305.309	1.797	50	20	DDGD	
COCCNC(=O)NNC(=O)c1cc2ccccc2cc1O	915879219	HCAGOQGEZDQMCW-UHFFFAOYSA-N	303.318	1.136	50	20	DDGD	
COc1cccc(-c2nc(C)c(C(=O)NN(C)C[C@H](C)O)[nH]2)c1	910160621	MBUGCXVOFWPMNC-JTQLQIEISA-N	318.377	1.351	50	20	DDGD	
Cc1ccccc1-n1cc(C=NNC(=O)[C@H]2CCCCO2)nn1	834986226	NAGNZJAOZKJLJC-OAHLLOKOSA-N	313.361	1.595	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1C[C@H](C)N(C)[C@H](C)C1	836193869	XVGIWPBNJWBFHE-BETUJISGSA-N	304.394	1.374	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1ccncc1F	741212448	PAFXNUVCTSIJKC-UHFFFAOYSA-N	308.338	1.469	50	20	DDGD	
COc1cc(C(=O)NN(C)C[C@@H](C)O)ccc1Br	910140975	VFTVWCXLAIIJBL-MRVPVSSYSA-N	317.183	1.415	50	20	DDGD	
O=C(CN1CCSC1=O)NNc1cc(F)c(F)c(F)c1	746701658	UIVUZPHNODTSOK-UHFFFAOYSA-N	305.281	1.716	50	20	DDGD	
NC[C@H]1CC[C@H](NC(=O)NNC(=O)c2cccc(Cl)c2)C1	842009583	FMLIEJWONJVEJX-CABZTGNLSA-N	310.785	1.411	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H](C)Oc2ccccc2F)n1	914763640	ZYLUEOKBPJTIQK-SECBINFHSA-N	306.297	1.535	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)[C@H]1CC12CCCC2	747384104	SANQJZMDCHVTIV-LLVKDONJSA-N	304.346	1.499	50	20	DDGD	
CC(C[C@H]1CCCC(=O)N1)=NNC(=O)CNc1ccc(C)cc1	841604195	QSWJEDKKBCWYEW-OAHLLOKOSA-N	316.405	1.958	50	20	DDGD	
COC1([C@@H](C)NC(=O)NNC(=O)Cc2ccc(F)cc2)CCC1	840453514	PUKIKXKTXHLIEK-LLVKDONJSA-N	323.368	1.656	50	20	DDGD	
C[C@]1(C(=O)N2CC[C@H](N3CCOC3=O)C2)C[C@@H]1Br	912401258	RUFJYEHRUHVHNV-AUTRQRHGSA-N	317.183	1.213	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(C(=O)O)c(F)c1	849176037	CSSXBUQDHKDGLZ-JTTRITNRSA-N	306.293	1.582	50	20	DDGD	
CC[C@H](O)[C@@H]1CCCCN1C(=O)/C(C#N)=C\c1cnn(C)c1	912118282	DOWFIMSCLPMZJX-WZDYWLCFSA-N	302.378	1.479	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCCC1=NNC(=O)c1ccc(O)cc1	741451776	OHJCDZOVXXGLNS-ZDUSSCGKSA-N	310.375	1.465	50	20	DDGD	
CC[C@H](C#N)C(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1	845482682	HERPCASRLUEIRP-MRVPVSSYSA-N	317.353	1.280	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCC(C)(C)OCC2CC2)n1	840428730	VASQIFPPWVDESS-UHFFFAOYSA-N	320.393	1.539	50	20	DDGD	
CC(C)CNC(=O)N1CCC[C@H](CC(=O)NNC(=O)C2CC2)C1	741207326	RXQDNBDNGJDYKR-GFCCVEGCSA-N	324.425	1.012	50	20	DDGD	
O=C(NN=Cc1ccc(C2CC2)cc1)N[C@H]1CCS(=O)(=O)C1	841620862	LMNRAITWMKZAPL-AWEZNQCLSA-N	321.402	1.384	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCC[C@H](OC3CCC3)C2)cn1	848302909	FFWBQDMZLCCOSS-VCHSTOLQSA-N	314.389	1.887	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)C1(C)C	843970813	LLJPQVQGISYQBA-LPWJVIDDSA-N	310.394	1.200	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCC#Cc2ccccc2)n1	746747659	SAHMBVBARRFVLC-UHFFFAOYSA-N	311.345	1.471	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccc([S@](C)=O)cc2)n1	743486106	YRCIJFPVUNBQDF-QFIPXVFZSA-N	319.390	1.037	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)[C@@H]1CCCS1	848321641	ZJSGCHFWBAIMDM-ZETCQYMHSA-N	303.185	1.578	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccccc1OCc1ccncc1	746005957	FQSPZBCBHZDAHJ-UHFFFAOYSA-N	314.345	1.577	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NN=C1CCS(=O)(=O)C1	912797838	JSLQLGMUMIIGMZ-UHFFFAOYSA-N	305.359	1.001	50	20	DDGD	
CCCN1C[C@H](C(=O)NNC(=O)Nc2ccccc2)CC1=O	840445136	MHFJPTVNDAHAEL-LLVKDONJSA-N	304.350	1.098	50	20	DDGD	
Cc1ccc(CCCC(=O)NNC(=O)c2ncccn2)s1	841350003	DCBCNZZUIWBWOH-UHFFFAOYSA-N	304.375	1.630	50	20	DDGD	
N#C[C@H]1COCCN1S(=O)(=O)c1ccc(CCl)cc1	914191899	ISWSRMVHKVLGRS-NSHDSACASA-N	300.767	1.338	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNC(=O)CC2CCCC2)c(O)n1	749944863	IGRGQVYFQDXFHT-UHFFFAOYSA-N	306.366	1.069	50	20	DDGD	
COC(=O)[C@@H]1C[C@H]2CC[C@H]1N(S(=O)(=O)CCCCCl)C2	841539384	JSQYRHYEXFTHNF-IJLUTSLNSA-N	323.842	1.609	50	20	DDGD	
CC[C@H](C)n1nc(C(=O)NNC(=O)c2ncccn2)cc1C	841350886	UKGOVBVJAUIPMW-VIFPVBQESA-N	302.338	1.027	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccccc1F)c1cnn(C)c1	743633315	LSBAOFYVMHNTLT-SNVBAGLBSA-N	319.340	1.193	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCCOC[C@@H]1CCOC1	740919969	CDKXWOYESFMUBX-LBPRGKRZSA-N	315.414	1.196	50	20	DDGD	
Cc1ccc(NNC(=O)NCCNC2CCCCCC2)nn1	841959996	XSPZYHNRQDWHED-UHFFFAOYSA-N	306.414	1.724	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc2ncccc2c1)c1ccc[nH]1	741647965	VVVRUHFWSHUCPR-UHFFFAOYSA-N	316.342	1.186	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1	840288514	MFATXTAWRCIQFC-CJNGLKHVSA-N	305.378	1.547	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNc1ccnc(Cl)c1	855468547	AMNMSEIOQTUKHH-NSHDSACASA-N	310.785	1.969	50	20	DDGD	
CN(C)C1(CNC(=O)NC[C@]2(C)C[C@@H]2Br)CCC1	856848016	BLCHFXKAOFBABD-JQWIXIFHSA-N	318.259	1.943	50	20	DDGD	
CO[C@]1(C)C[C@@H](N(C)CC(=O)NNC(=O)C(C)(C)C)C1(C)C	752302215	MVRUTTXYEZKFLK-BDJLRTHQSA-N	313.442	1.315	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H]1CCCc2nn[nH]c21	854457469	HQQWPVMGPGAEMW-JTQLQIEISA-N	316.321	1.585	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)c2sc(N)nc2C)c1C	755633099	YLZQYMFQASWNKO-UHFFFAOYSA-N	306.395	1.631	50	20	DDGD	
CC(C)CN1CC[C@H](CNC(=O)NNc2ccc(F)cn2)C1	756983738	KACNQCPZRWMPTR-GFCCVEGCSA-N	309.389	1.825	50	20	DDGD	
Cc1cccc(CN(C)CC(=O)NNC(=O)c2cccs2)n1	752295314	DXXZOAHUMDRZCV-UHFFFAOYSA-N	318.402	1.345	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)c1	858296585	QWQFKNFROBGLTN-CMPLNLGQSA-N	322.434	1.483	50	20	DDGD	
C[C@@]1(CNC(=O)NCC2(N)CCCC2)C[C@H]1Br	857106659	WBXJIZZZQPEQEF-KOLCDFICSA-N	304.232	1.731	50	20	DDGD	
CC(C)N1CC(=NNC(=O)Cc2cn3ccccc3n2)[C@@H](C)C1	754261384	WDMDAIAOYJWYEL-ZDUSSCGKSA-N	313.405	1.709	50	20	DDGD	
O=C1C[C@@H](CC(=O)OC[C@@H](CBr)C2CC2)CO1	859597256	GUQKGKNGZPPGSC-WCBMZHEXSA-N	305.168	1.904	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=Cc1cnc2n1CCC2	853313934	LSDXKONWFIDQOU-UHFFFAOYSA-N	308.345	1.170	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)COc1ccccc1OC	921201901	RNRBBUFWIZGDIO-LBPRGKRZSA-N	322.361	1.203	50	20	DDGD	
CCNC(=O)NN=Cc1c[nH]nc1-c1ccc2c(c1)OCO2	920825121	LYNGJLURXWDWPG-UHFFFAOYSA-N	301.306	1.458	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCNC(C)(C)C)cc1OC	929230668	YVVGSQKDMKAUHI-UHFFFAOYSA-N	323.393	1.243	50	20	DDGD	
COc1ccc(NNC(=O)C2(C(N)=O)CC2)c(C(F)(F)F)c1	857265347	KFUAXZYMFVXEAD-UHFFFAOYSA-N	317.267	1.423	50	20	DDGD	
C[C@@]1(CNC(=O)c2cccc(C(N)=O)c2)C[C@@H]1Br	857397612	HUKQFJASAXGDSY-GWCFXTLKSA-N	311.179	1.689	50	20	DDGD	
Cc1c[nH]ccc1=NC(=O)NNC(=O)C(C)(C)c1ccccc1	757806390	AHGSDNAKQPPWME-UHFFFAOYSA-N	312.373	1.942	50	20	DDGD	
O=C(NN=Cc1ccc(F)c(F)c1)C(=O)Nc1ccccn1	758381869	UPVZCWSZXMERRC-UHFFFAOYSA-N	304.256	1.449	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccccc1[S@@](=O)CC	920823056	MBTMHYWWXJAHEN-NRFANRHFSA-N	311.407	1.558	50	20	DDGD	
C#C[C@@H](CC)NC(=O)NNC(=O)COc1cc(C)cc(C)c1	854069813	ZYBUUIPLAWIQJZ-ZDUSSCGKSA-N	303.362	1.424	50	20	DDGD	
CC1(C)CC(=NNC(=O)[C@@H]2CCS(=O)(=O)C2)c2ccccc21	920369827	AVVGZSAMXSOMFW-LLVKDONJSA-N	320.414	1.623	50	20	DDGD	
CSSCCNC(=O)N1[C@@H](C)[C@H](C)N(C)C(=O)[C@H]1C	922390257	PTGRJBVYJYIISZ-LPEHRKFASA-N	305.469	1.647	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NC1[C@H](C)CCC[C@H]1C	754930602	WCHPMUCIRPGKBC-IJLUTSLNSA-N	315.414	1.193	50	20	DDGD	
COCCN1CCC(NC(=O)NNc2cc(F)ccc2C)CC1	853487610	RZHUMIOZNCWAIZ-UHFFFAOYSA-N	324.400	1.871	50	20	DDGD	
CCCc1cnc(NC(=O)C(=O)NNC(=O)CC(C)C)s1	756164264	ORGKIABTCKDGSE-UHFFFAOYSA-N	312.395	1.228	50	20	DDGD	
C[C@H](CO)CCCNC(=O)NNc1ccc([N+](=O)[O-])cc1F	853916019	IUZHKOPREAWNMR-VIFPVBQESA-N	314.317	1.769	50	20	DDGD	
CC[C@@H]1COCC1=NNC(=O)c1cc(Br)c[nH]1	853283759	BXEWTRUDWJDVKG-SSDOTTSWSA-N	300.156	1.919	50	20	DDGD	
CCOC(=O)C1(CNC(=O)NNc2ccc(Cl)cn2)CC1	852256954	IBDIOTRZSCVZQW-UHFFFAOYSA-N	312.757	1.704	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2c(F)cccc2OC)nc1	759738846	SBLFFCHFAPYIIP-UHFFFAOYSA-N	319.292	1.773	50	20	DDGD	
O=C(NNC(=O)C1(c2cccc(F)c2)CCC1)c1cc[nH]n1	855359430	REWAQUYIHPSHCT-UHFFFAOYSA-N	302.309	1.432	50	20	DDGD	
CC1(C)OC[C@H](CNC(=O)NC[C@]2(C)C[C@@H]2Br)O1	856884351	YIQYJNXDQZJJTG-AUTRQRHGSA-N	321.215	1.611	50	20	DDGD	
COC(=O)c1cc(F)cc(S(=O)(=O)N2CC=C(C#N)CC2)c1	759081288	IEBWEERMOAOTDP-UHFFFAOYSA-N	324.333	1.457	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C2CC2)c(-c2cc(F)ccc2F)n1	864444051	RZDUTNLJUMPZPY-UHFFFAOYSA-N	320.299	1.536	50	20	DDGD	
CC[C@@H](Cc1ccccc1)C(=O)NNC(=O)Cc1cc(C)[nH]n1	869012604	XZPYUFCQRJPDJK-AWEZNQCLSA-N	314.389	1.677	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C(Cc1ccccc1)C(F)F	863187298	GIAZEVQWMYRDJG-UHFFFAOYSA-N	304.318	1.011	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cc(C)sn1	766453125	OGXOKTHYSGXZOF-UHFFFAOYSA-N	305.359	1.464	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCC(=O)[C@@H]1CCOC1	762911410	LBPRPQQFERFRKS-GKWYLQRDSA-N	301.298	1.448	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cncnc2)c2ccccc2n1	760801518	VJPHLAUMGUHUFA-UHFFFAOYSA-N	307.313	1.408	50	20	DDGD	
CCC[C@H](NC(=O)[C@H](Br)C(C)(C)C)c1nn[nH]n1	768245709	KHNFHWXGVLBLSP-YUMQZZPRSA-N	318.219	1.967	50	20	DDGD	
C[C@@H](NNC(=O)CN(C)c1ccccc1[N+](=O)[O-])C(F)(F)F	862310670	CVDCRMVFPFUQDZ-MRVPVSSYSA-N	320.271	1.603	50	20	DDGD	
CC[C@H](Cc1ccccc1)C(=O)NNC(=O)c1cc(C)[nH]n1	768278079	ZCAOPRAYKPKNAA-CYBMUJFWSA-N	300.362	1.748	50	20	DDGD	
O=C(CCCOC1CCOCC1)NNc1ncc(F)cc1F	868818734	FSLFDXHIUDBLON-UHFFFAOYSA-N	315.320	1.779	50	20	DDGD	
C[C@H](CN1CCCC1=O)NC(=O)[C@@H](Br)C(C)(C)C	767305893	RBGXQTVWYOPZGG-MWLCHTKSSA-N	319.243	1.923	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(Br)cc(OC)c1	935908468	KZUPWHPHKKZWKG-UHFFFAOYSA-N	317.139	1.801	50	20	DDGD	
O=C(NNC(=O)[C@@H](F)c1ccccc1)c1ccc2c(c1)OCO2	768963360	QILCCKIRZSAFRP-AWEZNQCLSA-N	316.288	1.887	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H](C)N(C)CC(F)(F)F)c1	862477983	WZRUXQMYWOZBET-QMMMGPOBSA-N	323.340	1.700	50	20	DDGD	
COc1cccc(C=NNC(=O)c2cn[nH]c2)c1OC(C)C	863155922	DTQIXMDJLOLPMH-UHFFFAOYSA-N	302.334	1.969	50	20	DDGD	
CCO[C@H](CC(=O)NNC(=O)COc1cccc(C)c1)C(C)C	760265612	UZXWPFFCBAEVHV-OAHLLOKOSA-N	322.405	1.972	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C2CC(c3ccc(Cl)cc3)C2)N1	863152938	JEYPUKKPUMVBLH-JLOHTSLTSA-N	305.765	1.968	50	20	DDGD	
O=C(Cc1nc[nH]n1)NNc1ccc(OCC(F)(F)F)cc1	866878066	XVNSWMADEIYETA-UHFFFAOYSA-N	315.255	1.432	50	20	DDGD	
CN(C)C(=O)NCCNC(=O)[C@H](Br)C(C)(C)C	768385962	WJRJHNKJPDZXDH-QMMMGPOBSA-N	308.220	1.183	50	20	DDGD	
CSC[C@@H]1CCCN1[C@H](C)C(=O)NNC(=O)CC(C)C	767905931	KKYCBJRUFZDNRX-NEPJUHHUSA-N	301.456	1.396	50	20	DDGD	
Cc1cccc(NNC(=O)CNC(=O)OCC(F)(F)F)n1	862523059	QBBHKWMLHMUMTJ-UHFFFAOYSA-N	306.244	1.122	50	20	DDGD	
Nc1cnnc(NNC(=O)NC2CCSCC2)c1Cl	1116296047	POADSWDWBDSENB-UHFFFAOYSA-N	302.791	1.234	50	20	DDGD	
CC(C)(C=NNC(=O)c1cccc(Cl)c1)S(C)(=O)=O	1116378434	MHZGLPJXOWWMFQ-UHFFFAOYSA-N	302.783	1.879	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C\c1n[nH]c2cc(C(=O)O)ccc12	765499538	FUXSZQDCJWPODE-WTKPLQERSA-N	304.269	1.428	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCCOc1ccc2c(c1)CCC2	768241329	MBLORIOCWKMOMA-UHFFFAOYSA-N	320.389	1.253	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1ccc2c(c1)CCCO2	872399432	BOASFHZOQVNHEW-UHFFFAOYSA-N	306.362	1.515	50	20	DDGD	
C[C@@H](NNC(=O)c1cccc(N2CCNC2=O)c1)C(F)(F)F	1118882346	PMYZGCILVIMWOZ-MRVPVSSYSA-N	316.283	1.401	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)c2c[nH]nc2C)c(F)c1	777387134	BMOWMLMAKYTSSB-UHFFFAOYSA-N	304.281	1.135	50	20	DDGD	
C[C@H]1C(=O)N(C)CCN1C(=O)[C@@H](Br)C(C)(C)C	779275741	HCDLHTSVEIAIDU-DTWKUNHWSA-N	305.216	1.485	50	20	DDGD	
Cc1cc(N2C[C@@H](C(=O)NNC(=O)C(C)C)CC2=O)ccc1F	779867411	IHCBPEOIIQLCAG-NSHDSACASA-N	321.352	1.290	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@H]1C=NNC(=O)c1ncccn1	872385967	VYVUFBSUVCXEEP-NWDGAFQWSA-N	314.349	1.186	50	20	DDGD	
C/C(=C\C(=O)NNc1nc(O)c2cnn(C)c2n1)C(C)(C)C	770972616	SYZZHDBFPFRVNG-SOFGYWHQSA-N	304.354	1.504	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1n[nH]c2c1CCCC2)n1cccc1	1116410050	QZNSJBXIHZTGIM-JTQLQIEISA-N	301.350	1.112	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCc2nc[nH]n2)c2ccccc2n1	1116901002	VDJUPSFEGPOSHP-UHFFFAOYSA-N	324.344	1.055	50	20	DDGD	
COCCOCC(=O)NN=Cc1c(F)ccc(F)c1Cl	872400719	ZJCPEJYDFWERAW-UHFFFAOYSA-N	306.696	1.731	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cc(C)c3c[nH]nc3c2)n1	775695127	LGUHDDMSVXOOTB-UHFFFAOYSA-N	313.321	1.819	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)Nc1ccc(C(N)=O)cc1	770104014	IHOCMLOTWSRMMK-UHFFFAOYSA-N	314.349	1.848	50	20	DDGD	
C[C@@H](CC(=O)O)NC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	776632593	WZKNKZJDLHGZEL-APOZVJGGSA-N	304.184	1.920	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)Nc2ccc(C#N)cc2)n1	773483972	YMQXYTGWBCSQBX-UHFFFAOYSA-N	310.317	1.047	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)C[C@H](O)c1cccc(F)c1	772643547	CNPMOEZBLPDPOA-AWEZNQCLSA-N	317.320	1.034	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1CCCc2c(O)cccc21	887147866	FLCQVTVGGRTYSW-AWEZNQCLSA-N	300.358	1.763	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(C)c(F)c(C)c1	772233046	YAEDTSOZLCXMHH-SNVBAGLBSA-N	310.325	1.545	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc(-c2ccc[nH]2)cc1	775713254	UOEYGLGQTLHLJN-UHFFFAOYSA-N	301.350	1.396	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1ccon1	772962721	DBLUQMHSABYNGQ-MRVPVSSYSA-N	309.709	1.557	50	20	DDGD	
O=C1NCCN(S(=O)(=O)CCCCl)[C@H]1c1cccs1	881949948	GWMUFIRYAQEIGD-JTQLQIEISA-N	322.839	1.180	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)C2CCOCC2)c(C)nc1C	883067924	AONUTECNDNQEAG-UHFFFAOYSA-N	319.361	1.089	50	20	DDGD	
CC[C@H](C)n1nccc1C(=O)NNC(=O)Cc1ccncc1	1121163706	PCJWHNJQYRSJKE-NSHDSACASA-N	301.350	1.253	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1cc(C)c(OC)cc1C	783867294	MTSKPTMFIKUFEX-UHFFFAOYSA-N	307.350	1.508	50	20	DDGD	
NC(=O)N1CCC[C@@H](C(=O)NNc2ccc(F)cc2Cl)C1	885135653	JAWLZPHIKLRORK-MRVPVSSYSA-N	314.748	1.713	50	20	DDGD	
C[C@H](NC(=O)C1CCCCC1)C(=O)NNc1ccnc(F)c1	781358270	HTMXSIWKVTZBTM-JTQLQIEISA-N	308.357	1.749	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1c[nH]cc(C)c1=O)c1ccccc1	781426533	QMMBTKCBIIHUIT-ZDUSSCGKSA-N	313.357	1.638	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1)[C@H]1CCCO1	783817726	XPXBKGPCHIPEQY-GUIRCDHDSA-N	311.426	1.403	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1c[nH]nc1-c1ccoc1	789973133	TUSRGAIRCZZNNC-UHFFFAOYSA-N	311.301	1.068	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc(C(=O)c2cccc(O)c2)cc1	780460492	TUWJRSHTCJXVJJ-UHFFFAOYSA-N	313.313	1.197	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NC[C@@]2(C)C[C@@H]2Br)C(=O)O1	895922906	MIIQVZHMRJKDCY-OFHVYEONSA-N	305.172	1.163	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)CC[C@@H](C)OC)c1	782192371	OOSKVLQOVHKMFP-SNVBAGLBSA-N	310.350	1.280	50	20	DDGD	
CO[C@]1(C(=O)NNc2ccc(C(F)(F)F)nn2)CCSC1	897198937	LXJVRBGUFLOUIZ-SNVBAGLBSA-N	322.312	1.461	50	20	DDGD	
CCC(CC)(CC(=O)OC)NS(=O)(=O)CBr	782469054	RWGYVQPIYVELRY-UHFFFAOYSA-N	316.217	1.380	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cc(C#N)ccc2C)cc1	783037212	NPAOMUPEGWKTOW-UHFFFAOYSA-N	324.340	1.957	50	20	DDGD	
COc1ncc(C)cc1NC(=O)NNc1cc(Cl)nc(N)n1	789132807	ICIOLOQAPXRHQJ-UHFFFAOYSA-N	323.744	1.573	50	20	DDGD	
COc1cccc(NNC(=O)NCc2ccc3c(c2)COC3)n1	780031555	HOHDEHRPSVAHGN-UHFFFAOYSA-N	314.345	1.947	50	20	DDGD	
COc1cc(NNC(=O)N[C@H]2C[C@@H](C)OC2=O)ccc1Cl	896359226	LPVMRXYKISBRPC-XCBNKYQSSA-N	313.741	1.679	50	20	DDGD	
C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NNc1c(F)cccc1F	890505430	KWBWQYNFTSFLSJ-XCBNKYQSSA-N	319.333	1.024	50	20	DDGD	
COc1ccc([C@H](NC(C)C)C(=O)NNC(=O)C2CCC2)cc1	896292500	BAKGLEYOFBWLRS-HNNXBMFYSA-N	319.405	1.682	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2ccc(S(C)(=O)=O)cc2)n1	794567438	OWLDWNUVOGLBLC-UHFFFAOYSA-N	317.370	1.557	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)COc1cc(C)ccc1C	792797359	LLJSIOKEKLNYQD-LRDDRELGSA-N	322.405	1.891	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2cccc(F)c2[N+](=O)[O-])CC1=O	790587909	JRMFPDXTENHJBA-MRVPVSSYSA-N	310.285	1.045	50	20	DDGD	
CCC[C@@H](C(=O)O[C@@H](C)C(=O)NNC(=O)CC)c1ccccn1	799534140	FWRVXPNVWWKXOC-NWDGAFQWSA-N	321.377	1.454	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1cc(C(C)C)on1	792378814	XKPIBRQXODAOQO-UHFFFAOYSA-N	303.322	1.583	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NN=C2C(=O)OC[C@H]2C)c1C	794879390	JYWJLXKRRAONBB-ZYHUDNBSSA-N	304.346	1.736	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@H](CC)[C@@H](C)O	790065127	JFFYCBUSAHTQQS-VXGBXAGGSA-N	324.377	1.019	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cccc2c1OCC[C@@H]2OC	790569360	VSVBNFDKABYZIU-LBPRGKRZSA-N	323.349	1.346	50	20	DDGD	
CC(C)(C)[C@H]1C[C@H](NS(=O)(=O)CBr)CCO1	721892083	YCVASIUHHOOZOV-RKDXNWHRSA-N	314.245	1.852	50	20	DDGD	
O=C(CCl)N1CCN(C(=O)Cc2ccccc2Cl)CC1	1319682358	IOTRJKAWFOWUEG-UHFFFAOYSA-N	315.200	1.792	50	20	DDGD	
N#Cc1cc(NC(=O)C(=O)NNc2ncccn2)ccc1Cl	1320690950	KKFIMCKKCIXDOJ-UHFFFAOYSA-N	316.708	1.083	50	20	DDGD	
CC(C)CCNC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1329505222	AQJZSPFWAUPWCJ-CABZTGNLSA-N	305.216	1.438	50	20	DDGD	
Cc1nnc(CNC(=O)NNc2ccc(C(C)(C)C)nn2)s1	1325077827	TVKRZQGUPXJMKN-UHFFFAOYSA-N	321.410	1.760	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCc1ccc2c(c1)CCO2	1335330304	DPRGDFXRRKENND-UHFFFAOYSA-N	300.358	1.505	50	20	DDGD	
CC1(N2CCCC2)CCC(=NNC(=O)[C@@H]2CCC(=O)N2)CC1	1330892193	KXYLUUZTKTWEPL-KNVGNIICSA-N	306.410	1.166	50	20	DDGD	
Cc1nn(C(C)(C)C)c(C)c1C(=O)NNC(=S)NC(C)C	1337468678	RQJSDHGLHBXZLS-UHFFFAOYSA-N	311.455	1.772	50	20	DDGD	
N#Cc1cccc(COc2cccc(C=NNC(=O)CCO)c2)c1	1330902994	MYDLZEXXQUTQHW-UHFFFAOYSA-N	323.352	1.970	50	20	DDGD	
COCc1nocc1C(=O)NNc1cccc(C(F)(F)F)n1	1349470423	WIUIGUAVLYUWPR-UHFFFAOYSA-N	316.239	1.992	50	20	DDGD	
Cc1nc([C@@H]2CCOC2)sc1C(=O)NNc1ccncn1	1349662745	NOBCEWGBLWFPPJ-SECBINFHSA-N	305.363	1.502	50	20	DDGD	
CC(=O)N[C@](C)(C(=O)NNc1ccc(C(C)(C)C)nn1)C(C)C	1355332750	BPVVXHIIMMUOMB-INIZCTEOSA-N	321.425	1.768	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](C)c1cc(F)ccc1N(C)C	1528425240	GMRREEDLTQDMTE-SECBINFHSA-N	312.345	1.865	50	20	DDGD	
CN1CCN(CCCN(C)C(=O)C2CCC(Cl)CC2)CC1	1527685956	COQOAVZXWOOIHX-UHFFFAOYSA-N	315.889	1.880	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(C(=O)O)cc2F)n1	1607325701	DPIYVMFJDCZQFQ-UHFFFAOYSA-N	305.265	1.684	50	20	DDGD	
O=C(NN=C1COc2ccccc21)c1ccc(-c2nn[nH]n2)cc1	1609557602	YIOGHZKFDHFGRD-UHFFFAOYSA-N	320.312	1.393	50	20	DDGD	
O=C(O)CCc1ccccc1C(=O)NNC(=O)c1ccncc1	1602045643	PPQYKDDBZIFZJI-UHFFFAOYSA-N	313.313	1.174	50	20	DDGD	
O=C(O)CC1(C(=O)NNc2cnc3ccccc3n2)CCC1	1606071629	KCJNYQFAQQDHNR-UHFFFAOYSA-N	300.318	1.718	50	20	DDGD	
Cc1sc(C(=O)NNc2ccc(C(=O)O)cn2)cc1[N+](=O)[O-]	1600866273	HZMOTLOYSXBATF-UHFFFAOYSA-N	322.302	1.815	50	20	DDGD	
O=C(O)[C@H](NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1ccc(Cl)cc1	1608552478	IXUOOGCBVPEBCN-FDYHWXHSSA-N	324.764	1.654	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2CCN2C2CCCC2)c(F)c1	1602385582	YAEDYCFBZIZNLS-CQSZACIVSA-N	321.352	1.984	50	20	DDGD	
C[C@@]1(C(=O)NC[C@H]2[C@@H](C(=O)O)C2(F)F)C[C@@H]1Br	1604488601	ZHJKILWAOLFCNA-WWSLTDMBSA-N	312.110	1.242	50	20	DDGD	
O=C(O)c1cncc(C(=O)NNC(=O)c2c[nH]c3ccccc23)c1	1608980145	MFAFYMKEBHYYHN-UHFFFAOYSA-N	324.296	1.336	50	20	DDGD	
O=C(O)[C@H](NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1ccccc1Cl	1601677421	BEZPZBSKPLUDIJ-PIEOMLNGSA-N	324.764	1.654	50	20	DDGD	
Cn1cc(C(=O)O)c(NC(=O)NNc2cccc(C#N)c2)n1	1600936427	OVPAEYDZIXEBJE-UHFFFAOYSA-N	300.278	1.139	50	20	DDGD	
O=C(O)CCCCNC(=O)NNc1ccc2c(=O)[nH]ccc2c1	1608713157	YBNHGZBQUDFXEW-UHFFFAOYSA-N	318.333	1.409	50	20	DDGD	
CN(C)c1ccnc(C(=O)NNc2ccc(CC(=O)O)cc2)c1	1606062272	XPVHVJWWOXVUTC-UHFFFAOYSA-N	314.345	1.532	50	20	DDGD	
CCn1ccnc1CNC(=O)NNc1ccc(C(=O)O)cc1F	1605931511	RPXCSDWDYYXDSA-UHFFFAOYSA-N	321.312	1.567	50	20	DDGD	
O=C(NNc1ncccc1F)c1ccc(F)c(-c2nn[nH]n2)c1	1609559588	QZWQQHMYNBTANW-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
CCc1cc(CNC(=O)NNc2ccc(F)c(C(=O)O)c2)n[nH]1	1610058185	BHXQCPWUIYNVCJ-UHFFFAOYSA-N	321.312	1.636	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)/C=C/[C@@H]1CCCO1	1610287983	SEEHVFPLGLNENO-ZRQQLDRUSA-N	306.318	1.572	50	20	DDGD	
Cc1scc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)c1C	1549904747	LJBXANYHQVQPRS-KBPBESRZSA-N	307.419	1.678	50	20	DDGD	
Cn1ccc(CCNC(=O)NNc2ccc(C(=O)O)cc2F)n1	1610609009	WSJFFWGMSJCQHE-UHFFFAOYSA-N	321.312	1.126	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@@H]2C=NNC(=O)[C@H]2CCOC2)cn1	1552455615	ZYUGUHWAPFUWDJ-MBNYWOFBSA-N	306.366	1.119	50	20	DDGD	
CC[C@@H]1NCC[C@@H]1C(=O)NNc1cc(Br)ncn1	1577308789	OYSHRGKIOVYVJQ-YUMQZZPRSA-N	314.187	1.070	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)C[C@@H](N)Cc2ccccc2)c1	1579832487	KVVWIVXAJHYHCZ-ZDUSSCGKSA-N	317.414	1.778	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@H](C(=O)NN)C[C@@H]1[C@H]1CCCO1	1575173768	ZTDXCMKLTGUPST-QJPTWQEYSA-N	313.398	1.171	50	20	DDGD	
Cc1cc(=NNC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc[nH]1	1581034468	KKQBWSXLQBXNMP-UHFFFAOYSA-N	310.321	1.141	50	20	DDGD	
O=C(Cc1ccccc1CO)NNc1ccc(-c2nn[nH]n2)cc1	1592924094	PFTUWBKIRMUBAY-UHFFFAOYSA-N	324.344	1.045	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNC(=O)NCc2ccco2)c1	1594288573	YBJOJNROSXGXJH-UHFFFAOYSA-N	317.301	1.430	50	20	DDGD	
CC1CCN(CC(=O)NNc2ccc(C(=O)O)cc2F)CC1	1594414444	FZZQZCSJYLOWPK-UHFFFAOYSA-N	309.341	1.699	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NNc2ccccc2C(=O)O)C1	1594624325	OZPULOIUWBBOGP-BXKDBHETSA-N	314.345	1.917	50	20	DDGD	
COC(CN(CCC(=O)O)C[C@H](C)CBr)OC	1599048110	OHWOFECFSNYWKF-SECBINFHSA-N	312.204	1.413	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	158891539	SCEICVFFHJPQAP-UHFFFAOYSA-N	303.362	1.530	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(C)c([N+](=O)[O-])c2)[nH]n1	153265801	BARPBDTYESKBIL-UHFFFAOYSA-N	303.278	1.010	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H]2CCCN2C2CCOCC2)cc1	155645752	QLDVKPCPDJZTFH-MRXNPFEDSA-N	314.389	1.645	50	20	DDGD	
CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)NNC(=O)c1ccccc1	154374229	YXNGDGZMTRGJOE-XQQFMLRXSA-N	303.362	1.444	50	20	DDGD	
Cc1nc(CC(=O)NNC(=O)Cc2ccc(F)cc2)c(C)s1	154634300	XVCZUYSUSKPVKK-UHFFFAOYSA-N	321.377	1.832	50	20	DDGD	
C[C@H](C[S@](C)=O)N(C)S(=O)(=O)c1ccc(CCl)cc1	398959465	XXZANEHNUTYSBH-MGNBDDOMSA-N	323.867	1.813	50	20	DDGD	
C#CCCCNC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	173331805	DTEOYKBQOVAWGD-NSHDSACASA-N	307.325	1.337	50	20	DDGD	
CN(CC(=O)NNc1ccc(Cl)nn1)Cc1ccccc1	118500169	COGDYBQOPGKZNH-UHFFFAOYSA-N	305.769	1.705	50	20	DDGD	
C[C@@H]1CC[C@H](CCC(=O)NNC(=O)COCc2ccccc2)O1	174086230	IWOWSIBVUQJJGV-UKRRQHHQSA-N	320.389	1.698	50	20	DDGD	
Cc1nccn1C[C@H](C)CNC(=O)NNC(=O)CC(C)(C)C	171362884	LJQBTFUYPDOSIS-LLVKDONJSA-N	309.414	1.594	50	20	DDGD	
CN(CC(=O)NNc1ccc(F)cc1)c1ncnc2[nH]cnc12	56422072	FNVUTLGRSGUDNU-UHFFFAOYSA-N	315.312	1.072	50	20	DDGD	
CCCCCCN(C)CC(=O)NNC(=O)NCc1ccco1	118320698	YVHACDZDNLNAFV-UHFFFAOYSA-N	310.398	1.622	50	20	DDGD	
CCn1c(NNC(=O)[C@@H]2C[C@H]2C2CC2)nc2ccccc2c1=O	177829866	WUPHDQNTJGSBME-QWHCGFSZSA-N	312.373	1.906	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@H]1C[C@H]1C1CC1	177610219	LEJLZKQLLGNNLU-RYUDHWBXSA-N	304.346	1.268	50	20	DDGD	
C[C@H](CS(C)(=O)=O)C(=O)NNc1ccccc1C(F)(F)F	176497718	QDAJZKNGMZPOKO-MRVPVSSYSA-N	324.324	1.829	50	20	DDGD	
CCC[C@H](C)CC(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1	111543655	JMBAANPZCYOESF-MELADBBJSA-N	313.442	1.459	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1Cl	112882010	MBVREJUJXCWSQE-SSDOTTSWSA-N	303.721	1.597	50	20	DDGD	
CC(=O)NNC(=O)c1nc(-n2nc(C)cc2C)ccc1Cl	68518034	NQRJCASITNKPOJ-UHFFFAOYSA-N	307.741	1.318	50	20	DDGD	
CCOc1ncc(C(=O)NNC(=O)c2c[nH]nc2C)cc1Cl	112296021	GCNSOYHDSSVCGO-UHFFFAOYSA-N	323.740	1.240	50	20	DDGD	
O=C(COCc1ccncc1)NNc1ncnc2ccsc12	1261083319	DMJALRWPVMVRJM-UHFFFAOYSA-N	315.358	1.746	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1cc(F)c(F)cc1F	185035753	BLUWFHLDSCUHAS-UHFFFAOYSA-N	312.251	1.909	50	20	DDGD	
CCCCS[C@H](C)C(=O)NNC(=O)NCC(F)(F)F	124604839	QPPOLUUTTAJXOU-SSDOTTSWSA-N	301.334	1.801	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2ccc(Cl)nn2)CN1C1CC1	127664209	YXTANMJIUMWPSU-IUCAKERBSA-N	310.789	1.381	50	20	DDGD	
O=C(Cc1ccc2c(c1)NC(=O)C2)NNC(=O)c1ccccc1	181323880	UCNMQQMNJDQXCJ-UHFFFAOYSA-N	309.325	1.185	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1cccc(-c2nccs2)c1	122684702	RXBLFZCVTUTWLO-UHFFFAOYSA-N	306.347	1.345	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)CCCCNC(N)=O	125230648	RWGVGIVUPOUHTC-UHFFFAOYSA-N	309.322	1.956	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2cccs2)n[nH]1)c1ccoc1	129239317	OGIVBUVLIURFHN-UHFFFAOYSA-N	302.315	1.806	50	20	DDGD	
CCc1cccc(C)c1NC(=O)NNC(=O)Cc1cc[nH]n1	186399718	SSBKPOACZWTWFB-UHFFFAOYSA-N	301.350	1.676	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cc([N+](=O)[O-])ccc2C)[nH]n1	186387029	DFSMXBAAMLYDHV-UHFFFAOYSA-N	318.293	1.401	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NC1CCCC1	31029183	HHFJNZPISXREAE-UHFFFAOYSA-N	301.350	1.529	50	20	DDGD	
N#CCOc1cccc(CC(=O)NNc2ncc(F)cn2)c1	123175480	PLZPDWBCIJHUJX-UHFFFAOYSA-N	301.281	1.204	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCC[C@H]2CCO)s1	188380426	UXIKPYPXDAPIEV-WDEREUQCSA-N	311.407	1.552	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccccc1)c1cc2ccccc2o1	120776880	YTDJBMZZLFUAKY-OAHLLOKOSA-N	310.309	1.927	50	20	DDGD	
NC(=O)c1cccc(OCCC(=O)NNc2ccccn2)c1	181184891	OHDRXLKPVTZTRV-UHFFFAOYSA-N	300.318	1.093	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)CC1CCC1	186057925	ZNRIIYZSRGAONE-UHFFFAOYSA-N	312.391	1.732	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cccnc1C(F)(F)F	188376522	CGYISWXXBIOADC-UHFFFAOYSA-N	324.262	1.499	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2cc([N+](=O)[O-])cnc2N)c1	185339823	ZYRMDSBIHJKDGX-UHFFFAOYSA-N	305.269	1.776	50	20	DDGD	
COc1nccnc1NNC(=O)c1cnn(-c2ccccc2)c1	131814058	HIDHYAYWNWWBTB-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
CSC1(CNC(=O)NNC(=O)c2cccc(N(C)C)c2)CC1	195133663	QWLYLDVUEMKPKS-UHFFFAOYSA-N	322.434	1.592	50	20	DDGD	
O=C(C#Cc1ccccc1)NNC(=O)c1ccc2c(c1)OCCO2	80505177	WXILBPLGBWGDRM-UHFFFAOYSA-N	322.320	1.271	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCc1nnc2n1CCCCC2	43780040	QDYQNJAGAGUWQG-UHFFFAOYSA-N	324.385	1.243	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)c1ccc[nH]1	192962841	PPUADPYTMCOCPT-ZANVPECISA-N	301.302	1.004	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NNC(=O)COc1ccc(Cl)cc1	220626966	JEFAEZPDMBAHQX-NTMALXAHSA-N	323.736	1.310	50	20	DDGD	
COc1cccc(OC)c1C(=O)NNc1nc(C)cc(C)n1	193861574	XRSCYPNLUMDUJB-UHFFFAOYSA-N	302.334	1.868	50	20	DDGD	
O=C(Cn1ccccc1=O)NNc1ccc(C(F)(F)F)cn1	132062219	RUNQOZLUNQAVFL-UHFFFAOYSA-N	312.251	1.405	50	20	DDGD	
COc1cc(Cl)c(S(=O)(=O)NNC(C)=O)cc1Cl	131756785	FWCXJOGAIHLSPL-UHFFFAOYSA-N	313.162	1.331	50	20	DDGD	
ICCN1CCC(Cn2ccnn2)CC1	191006756	XKEDFUZQFJWJJU-UHFFFAOYSA-N	320.178	1.425	50	20	DDGD	
C[C@@H](NC(=O)c1ccoc1)C(=O)NNc1ccc([N+](=O)[O-])cc1	134140028	WXINMGDZBKDYPA-SECBINFHSA-N	318.289	1.449	50	20	DDGD	
CNC(=O)c1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1	192973195	GNDAIBUOOCYJMZ-HNRFISLBSA-N	313.357	1.248	50	20	DDGD	
Cc1ccccc1CCNC(=O)NNc1nc2ccccn2n1	190499332	KAKSJKUUHTYDGF-UHFFFAOYSA-N	310.361	1.907	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2cc(C)nn2C)cc1	194264655	NDUPEKFLFYSYEM-UHFFFAOYSA-N	317.349	1.269	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccnc(Cl)c1	94121157	OWPNNRMCZAQPNW-UHFFFAOYSA-N	304.828	1.207	50	20	DDGD	
O=C(/C=C\c1ccco1)NNC(=O)CSc1ccccc1O	255296253	YIOMIZGHQCEQNJ-FPLPWBNLSA-N	318.354	1.938	50	20	DDGD	
O=C(O)COc1ccc(C=NNC(=O)c2ccc(O)cc2)cc1	254526799	FSXNMGSLTFMLFF-UHFFFAOYSA-N	314.297	1.620	50	20	DDGD	
CC(=O)NNC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1	266550682	IFGKDWAJSIILGD-CYBMUJFWSA-N	321.377	1.462	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1n[nH]c2c1CCC2)c1ccccc1	264541804	HQLJLSUYJXJCDR-UHFFFAOYSA-N	312.373	1.637	50	20	DDGD	
Cc1ccccc1-n1cc(C(=O)NNC(=O)CC(C)C)cn1	264737035	DZOXGUKHZWTMQN-UHFFFAOYSA-N	300.362	1.988	50	20	DDGD	
C[C@@H](COc1cccc(F)c1)NC(=O)NNC(=O)C1CCC1	264786466	ZJUZOBDPDFMMLQ-JTQLQIEISA-N	309.341	1.724	50	20	DDGD	
C[C@H]1C[C@H](N2CCOCC2)CN1CCI	368508452	SEFUMLDFWKPPJF-QWRGUYRKSA-N	324.206	1.216	50	20	DDGD	
O=C1C[C@@H](NS(=O)(=O)CBr)c2ccccc21	274010896	UVBXSGNFOZEYGK-SECBINFHSA-N	304.165	1.586	50	20	DDGD	
COc1c(C)cc(C(=O)NNc2nccn(C)c2=O)cc1C	271674144	QQOHGICFNPCQOW-UHFFFAOYSA-N	302.334	1.163	50	20	DDGD	
CC(C)[C@]1(C)C[C@H]1C(=O)NNc1nc(O)c2cnn(C)c2n1	274982507	MIJPQHKXADNCJS-XPTSAGLGSA-N	304.354	1.194	50	20	DDGD	
CC(C)(C(=O)NNS(=O)(=O)CCC1CC1)c1ccccc1	271248574	GYONOIMTVPQCJV-UHFFFAOYSA-N	310.419	1.715	50	20	DDGD	
COC(=O)[C@@H]1C[C@H]1C(=O)NNC(=O)Nc1cccc(Cl)c1	283764844	NTUFNDPZYQBFMX-NXEZZACHSA-N	311.725	1.302	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H](C)CN1CCOCC1	288723995	OUNGKDRBZIDFDN-LBPRGKRZSA-N	322.365	1.315	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Nc1cscc1C	285766884	BHFPTUBAVBGGHB-UHFFFAOYSA-N	315.395	1.998	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NC[C@H]1CCSC1	280226639	REZOMWPOEIYGAC-LLVKDONJSA-N	323.418	1.321	50	20	DDGD	
O=C(C[C@H]1CCCC(=O)N1)NNc1cccc(C(F)(F)F)n1	289309999	DPPVBAHAZGAUMF-MRVPVSSYSA-N	316.283	1.602	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNc1cccc(F)c1[N+](=O)[O-]	280719977	UIBXHANARVSZQZ-UHFFFAOYSA-N	312.301	1.339	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccc2nc(C(F)F)sc2c1	806698835	TYPWPCNWKYLXTM-UHFFFAOYSA-N	316.289	1.379	50	20	DDGD	
COCCN(C)NC(=O)C(O)(c1ccccc1)c1ccccc1	297245803	ZRCLDQZVNNSEIL-UHFFFAOYSA-N	314.385	1.532	50	20	DDGD	
O=C(NNc1ncccc1F)c1sccc1-n1cnnn1	804215476	SANIIBGAHQXDMS-UHFFFAOYSA-N	305.298	1.015	50	20	DDGD	
O=C(NNC(=O)c1cc[nH]n1)Nc1ccc(OC(F)F)cc1	802046621	FXTQUHFUTVXWCC-UHFFFAOYSA-N	311.248	1.478	50	20	DDGD	
Cn1nncc1NC(=O)NNc1cccc(C(F)(F)F)c1	809901885	XKHHWXJANYXMHC-UHFFFAOYSA-N	300.244	1.983	50	20	DDGD	
CCOc1ccc(NNC(=O)c2c(C)c(C)nn(C)c2=O)cc1	294443786	TWSKOMHFLZCGLP-UHFFFAOYSA-N	316.361	1.553	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H](CC)N(C)C)cc1C	291097154	DJXPBVLQTYCNMU-CQSZACIVSA-N	307.394	1.955	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H](F)C(F)(F)F	809984518	NERFSRYMDVXLRY-SECBINFHSA-N	318.230	1.304	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNc2nnc(C3CC3)s2)c1C	293508352	NOKFYYAKDZXXDY-UHFFFAOYSA-N	320.422	1.935	50	20	DDGD	
C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NNc1cccc(F)c1F	291705925	CRASNEWPERFRAW-OIBJUYFYSA-N	319.333	1.024	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)c2cncs2)cc1	809228857	FIXIIWPDFVOMEJ-UHFFFAOYSA-N	319.342	1.070	50	20	DDGD	
O=C(Cc1csc2ccccc12)NNC(=O)N1CCOCC1	299387693	QHEHGSBFUQTUBE-UHFFFAOYSA-N	319.386	1.517	50	20	DDGD	
C[C@@H](C(=O)NN(C)C(N)=O)c1cccc(Br)c1	291943967	PQENUOIBVCRFSG-SSDOTTSWSA-N	300.156	1.594	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C(C)c1csnn1	814722990	UHBGKBPONFHFTD-UHFFFAOYSA-N	320.374	1.856	50	20	DDGD	
CCCCN1C(=O)c2ccc(C(=O)NN(C)C3CC3)cc2C1=O	819640659	DHHHQORQMRPGGC-UHFFFAOYSA-N	315.373	1.822	50	20	DDGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1cnn(C)n1	814748375	KWOFTLSQKSBVCV-GFCCVEGCSA-N	323.356	1.886	50	20	DDGD	
CC(=NNC(=O)Cn1c(C)nc2ccccc21)c1ccc(N)nc1	814729923	GFNGKGKQECCKOW-UHFFFAOYSA-N	322.372	1.862	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@H]2CCN(C)C2=O)cc1C	812721618	ZKTINSIHIJDLIF-CYBMUJFWSA-N	319.361	1.093	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1cc([N+](=O)[O-])ccc1O	815001405	IMDBOMCQPYHDQQ-UHFFFAOYSA-N	301.262	1.273	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1Cc2[nH]c3ccccc3c2C1	814864411	CVWVMNRVBHBILU-NSHDSACASA-N	315.373	1.790	50	20	DDGD	
O=C(Cc1csc(N2CCOCC2)n1)NN=C1CC2(CC2)C1	814770390	CGRGPSUCVFFMCD-UHFFFAOYSA-N	320.418	1.568	50	20	DDGD	
COC(=O)C(C)(C)CC=NNC(=O)c1cccc([N+](=O)[O-])c1	814684371	PVXGXEGJQMNZAM-UHFFFAOYSA-N	307.306	1.900	50	20	DDGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1C=NNC(=O)CN(C)C	727647726	FETFEYQRJXDWPE-UHFFFAOYSA-N	317.368	1.640	50	20	DDGD	
CCN(CCO)NC(=O)CCc1nc(-c2cccs2)no1	823837566	DYYMYHHVVITDBW-UHFFFAOYSA-N	310.379	1.076	50	20	DDGD	
COC(=O)[C@H](CC(C)C)NC(=O)/C(C#N)=C\c1cnn(C)c1	491100244	ADZXABOMVXZBJT-TZQNSNDFSA-N	304.350	1.031	50	20	DDGD	
C=CCCNC(=O)NNC(=O)[C@@H](C)Oc1ccc(OCC)cc1	820771349	LVUKOVCSZQNHQA-GFCCVEGCSA-N	321.377	1.759	50	20	DDGD	
CCCCC[C@@H](O)C(=O)NNC(=O)CCOc1ccccc1	822867622	FPNCBOJAPJSEAH-CQSZACIVSA-N	308.378	1.544	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1	728608140	ODUCBSNHFWTWAK-GFCCVEGCSA-N	323.437	1.751	50	20	DDGD	
CCOc1ccc(NNC(=O)COCc2nc(CC)no2)cc1	820574081	ZIHGOCASCFMLHH-UHFFFAOYSA-N	320.349	1.691	50	20	DDGD	
O=C(/C=C/[C@H]1CCOC1)NNC(=O)Cc1ccc(Cl)cc1	493321218	MDOUZGYRJYBMCO-UXONFWTHSA-N	308.765	1.623	50	20	DDGD	
Cc1nc(CNC(=O)NNC(=O)C(C)C)nc2ccccc12	726618543	FEVUQCPZJMWAAI-UHFFFAOYSA-N	301.350	1.425	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)C(C)(C)Oc1ccc(Cl)cc1	823977113	ONXLBJAMQUNWMJ-JTQLQIEISA-N	300.786	1.841	50	20	DDGD	
CN(CCc1ccccc1)CC(=O)NNC(=O)CC(F)(F)F	823828469	AIVFQEZJZUQIIU-UHFFFAOYSA-N	317.311	1.261	50	20	DDGD	
C#CC1CCN(C(=O)NNC(=O)c2ccccc2OC)CC1	825974000	YCSBASNHVIKGBO-UHFFFAOYSA-N	301.346	1.395	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CSc1nccn1C(C)(C)C	823965930	VNVLYEZWNRZHOV-SNVBAGLBSA-N	300.428	1.074	50	20	DDGD	
COC(=O)[C@H]1CCCCCN1C(=O)/C(C#N)=C/c1cnn(C)c1	828890681	ANRHWSDGSDJEIF-MAUPQMMJSA-N	316.361	1.271	50	20	DDGD	
CCOC(=O)NCCCC(=O)NN(C)C(=O)OC(C)(C)C	496696872	WQFDQGGCZONLRZ-UHFFFAOYSA-N	303.359	1.411	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1occc1COc1ccccc1	823982951	HXDBABDNHYUFRC-LBPRGKRZSA-N	304.346	1.816	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C)c1ccc(F)c(Cl)c1	828729131	DSOFIYXZAPGIRM-UHFFFAOYSA-N	301.749	1.719	50	20	DDGD	
O=C(CN1CCOC1=O)NNc1cccc(Br)c1	821148903	YLGXQNXFUWZPGF-UHFFFAOYSA-N	314.139	1.344	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NN(CC)CCO	823888920	AKLDNEJSDUZKRP-LBPRGKRZSA-N	317.430	1.367	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1CCC[C@H]1C1CCCCC1	584931893	KKWPOUGFDPXTGG-INIZCTEOSA-N	319.185	1.690	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)Cc2ccccc2OC)cn1	728816467	LUGGTQFVDVGHKT-UHFFFAOYSA-N	309.325	1.075	50	20	DDGD	
O=C(Cc1cccnc1)NN=C1CCN(Cc2ccccn2)CC1	728786407	JIUKTBUSAHQQCP-UHFFFAOYSA-N	323.400	1.787	50	20	DDGD	
CC(C)NC(=O)NNC(=O)Cc1ccccc1O[C@H]1CCOC1	825481589	OFEXNAZIRBKSHW-ZDUSSCGKSA-N	321.377	1.136	50	20	DDGD	
C[C@@H](CN(C)C(=O)c1cc(B(O)O)ccc1F)C1CCCCC1	585011350	ITNDSVDEPHDFHK-LBPRGKRZSA-N	321.201	1.794	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](CC(=O)N(C)C)c1ccccc1	491080278	CSXOZHDECWNSEF-ZSMUJPCHSA-N	315.373	1.766	50	20	DDGD	
CCC[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)c1ccccn1	584941301	AXLVGKCBXFABRA-HNNXBMFYSA-N	316.141	1.172	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CC2(CCC2)[C@@H]1c1ccccc1	584993584	XPDXTXWKGLQENN-KRWDZBQOSA-N	321.185	1.734	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNC(=O)NCC(F)(F)F)cc1	492371279	ZDXUECGPEWUUBF-DAXSKMNVSA-N	317.267	1.601	50	20	DDGD	
CC1=C(C)C(=O)N(CCC(=O)NNc2cc(Cl)ccn2)C1=O	901350879	WPHRMUISTLJHED-UHFFFAOYSA-N	322.752	1.273	50	20	DDGD	
COC(=O)N(C)NC(=O)C1(c2ccc(OC)cc2)CCOCC1	495824305	VAIVKMMHXMFMOJ-UHFFFAOYSA-N	322.361	1.473	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@](C)(O)c1cccc(C(F)(F)F)c1	823947239	UZTOOWMLKHZMQO-TVQRCGJNSA-N	320.311	1.257	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C1CC1)C1CN(C(=O)OC(C)(C)C)C1	495508715	CUHDEOVKZBHROH-VIFPVBQESA-N	311.382	1.047	50	20	DDGD	
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ncccc1F	496308195	LNRKZJPHSMURGJ-SNVBAGLBSA-N	312.345	1.967	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccc(NC(=O)[C@H](C)OC)c1	494571649	HCAGXGJSBVAVGK-VIFPVBQESA-N	324.337	1.443	50	20	DDGD	
CCN(CC(=O)NNc1nc(C)cc(C)n1)C(=O)OC(C)(C)C	734422134	QQLHPWFKEVQZKB-UHFFFAOYSA-N	323.397	1.794	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C1(C(=O)NC)CCC1)c1ccccc1	732133157	RDKUYDQUXFDQJO-ZDUSSCGKSA-N	317.389	1.244	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNc1ccccc1S(C)(=O)=O	732304532	VOWUIJMAMXYWTF-NSHDSACASA-N	314.407	1.738	50	20	DDGD	
C[C@H](CNC(=O)/C(C#N)=C/c1ccc(F)cc1)c1nncn1C	491160938	MPTSWHWKMOPKMR-ZTFCMROMSA-N	313.336	1.781	50	20	DDGD	
CCn1cc(C=NNC(=O)CNc2ccc(C)cc2C)nn1	901154272	QXEMQFVRYASKGD-UHFFFAOYSA-N	300.366	1.477	50	20	DDGD	
O=C(NNC(=O)Nc1ccc2c(c1)OCO2)NOC1CCC1	836572754	KWIWGHLGKYMKGZ-UHFFFAOYSA-N	308.294	1.235	50	20	DDGD	
O=C1NCC[C@@H]1C(=O)NNc1c(Cl)cc(F)cc1Cl	831534553	IJZLIHSPZWTZQD-LURJTMIESA-N	306.124	1.712	50	20	DDGD	
Cc1cc(O[C@H](C)C(=O)N2CC[C@@H](B(O)O)C2)ccc1Cl	585076573	NNOMWMXIZQMSIZ-GHMZBOCLSA-N	311.574	1.491	50	20	DDGD	
CC(C)(C)[C@@H](NC(=O)c1cc(B(O)O)ccc1F)c1ccco1	584947082	FZKFXBLIYUYZTR-AWEZNQCLSA-N	319.141	1.616	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1[N+](=O)[O-])C1(O)CCOCC1	836822713	MYBHFIJJHKAVKZ-UHFFFAOYSA-N	315.713	1.233	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc2ncsc2c1	831235991	QKTZANKBWBIYPJ-PSASIEDQSA-N	320.374	1.874	50	20	DDGD	
Cc1ccccc1C(C)(C)CNC(=O)c1ccc(B(O)O)cc1	584937672	FXMZYEXGKKTXOV-UHFFFAOYSA-N	311.190	1.382	50	20	DDGD	
C[C@H]1CC(=NNC(=O)NCC(=O)O)CCN1Cc1ccccc1	833586886	HZWDTYNRBQMGAQ-LBPRGKRZSA-N	318.377	1.411	50	20	DDGD	
O=C(NC[C@H]1C[C@@H](c2ccccc2)C1)c1ccc(B(O)O)cc1	585010029	HBUIBSRMOMVPMP-AKAXFMLLSA-N	309.174	1.290	50	20	DDGD	
CO[C@](C)(C(=O)NNc1cccc(C#N)c1)C(=O)OC(C)(C)C	830767189	WUJPBGKGJSNNEC-MRXNPFEDSA-N	319.361	1.748	50	20	DDGD	
Cc1oc(S(=O)(=O)NNC(=O)CC(C)(C)C)cc1C(=O)O	833026480	FFXQFQCXIJCOMK-UHFFFAOYSA-N	318.351	1.032	50	20	DDGD	
COC(=O)CC[C@@H](Cc1ccccc1)NS(=O)(=O)CCl	830990366	GVXUQJQOKCTOEQ-LBPRGKRZSA-N	319.810	1.667	50	20	DDGD	
CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)NNC(=O)C1CCC1	732292525	NZGJYZHQJWQCHL-NSHDSACASA-N	312.414	1.056	50	20	DDGD	
CNc1ccc(C(F)(F)F)cc1C(=O)NNC(=O)C(C)(C)O	832750046	SMDSZZYLXNYORV-UHFFFAOYSA-N	319.283	1.279	50	20	DDGD	
CC(C)C(=O)NN=Cc1ccccc1OCC(=O)NCC1CC1	734747367	ZJCHLKSOFYQSOZ-UHFFFAOYSA-N	317.389	1.698	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)C1CCCC1)Oc1ccccc1	733849383	IGLGBADADCHHRT-GFCCVEGCSA-N	305.378	1.975	50	20	DDGD	
C[C@H](N)C[C@H](C)NC(=O)NNC(=O)c1ccc2ccccc2n1	831196401	BHAMUTCUBTWAES-QWRGUYRKSA-N	315.377	1.305	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2cc(C(=O)O)ccc2O)cs1	738850667	SNKCBRGFQBFSEL-UHFFFAOYSA-N	319.342	1.548	50	20	DDGD	
C[C@@H]1[C@@H](NC(=O)NNC(=O)N=c2cc[nH]cc2)CCC[C@H]1C	837329517	MXOPWUQKBQQZEI-MDZLAQPJSA-N	305.382	1.664	50	20	DDGD	
Cc1cnn(-c2ccc(C(=O)NNC(=O)CC(C)C)cc2)c1	916147996	RXDAWKFLXZXTJJ-UHFFFAOYSA-N	300.362	1.988	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cccc2cccnc12	748252459	FGNOKIFFMPEERZ-GFCCVEGCSA-N	301.346	1.736	50	20	DDGD	
CCc1ccc2c(c1)C(=NNC(=O)CCN(CC)CC)C(=O)N2	917211946	OXBKUQACIYXUJM-UHFFFAOYSA-N	316.405	1.753	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](CC)C(=O)NCc1cccs1	844026892	WHXOZYZIOZDCPY-BSYHEUMXSA-N	321.402	1.703	50	20	DDGD	
COc1ncnc(N)c1C=NNC(=O)Cc1c[nH]c2ccccc12	747628818	VGSSKFKUVAEOCU-UHFFFAOYSA-N	324.344	1.242	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(N2CCCCC2)o1	748259844	XZEUZCRNHAGYKE-ZDUSSCGKSA-N	323.393	1.772	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NN=C1C[C@@H](C)n2ncnc21	841611804	BFVVGEGJOZYJGH-NXEZZACHSA-N	317.324	1.670	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCc1ccc(Cl)s1	843648097	VWAJLJLCFVFQMJ-WCBMZHEXSA-N	316.810	1.907	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@@H]1CCCc2occc21	918068569	VBMMIQSBQBNUJE-MRVPVSSYSA-N	305.256	1.940	50	20	DDGD	
C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)CC(F)(F)F	915261394	NDQJQEKMHZLPJW-QMMMGPOBSA-N	315.251	1.425	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1c(Br)cnn1C	842558612	HAGAFTVMQIWAAL-YUMQZZPRSA-N	315.171	1.058	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)COc2cccc(C)c2)[C@H]1OC	841607845	ZTHXQJBKTXAKHH-GDBMZVCRSA-N	306.362	1.670	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccc(C#N)c1)C(=O)OC(C)(C)C	840322472	XWFOJJSTNVLZJB-SNVBAGLBSA-N	317.345	1.297	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNc1cc(O)nc2ncccc12	913987960	FGPRJEQGAAEJNH-LBPRGKRZSA-N	304.350	1.984	50	20	DDGD	
CCS(=O)(=O)CCCNC(=O)NNc1cccc(C#N)c1	840468753	HZHYULJNGVEGGI-UHFFFAOYSA-N	310.379	1.009	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](C)C(=O)OC(C)(C)C)nc1	840405741	WUEJUGZVPFUXLK-VIFPVBQESA-N	323.349	1.289	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccc(-c2cnn(C)c2)c1	743820573	VFDGTSZTRARTKR-UHFFFAOYSA-N	315.402	1.382	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cc(-c2ccco2)on1	918704222	WICJOXPWUQEIID-UHFFFAOYSA-N	303.196	1.648	50	20	DDGD	
CCOC(=O)NNC(=O)C[C@H](C)n1cc(Br)cn1	843751126	YWIGZUJUFGKKNL-ZETCQYMHSA-N	319.159	1.374	50	20	DDGD	
CN(C(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)[C@@H]1CCNC1	846664802	CPBWFZGUBFDFMC-SRRSOLGSSA-N	301.228	1.760	50	20	DDGD	
CCOC(=O)[C@H](NNC(=O)[C@H]1CCO[C@@H]1C)c1ccccc1	843289230	OCLVKKIPTXHFKL-KWCYVHTRSA-N	306.362	1.337	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccc2nc(O)[nH]c2c1	842553678	FXAKZBJAHQEXOP-MWLCHTKSSA-N	302.334	1.534	50	20	DDGD	
C[C@@H](CC(N)=O)NS(=O)(=O)c1ccc(CCCCl)cc1	742305654	XTHOSGFWCLBZCM-JTQLQIEISA-N	318.826	1.400	50	20	DDGD	
C[C@H]1CC(=NNC(=O)COc2ccccc2C#N)c2ncnn21	841609050	QPTCCPJSZDYONV-JTQLQIEISA-N	310.317	1.014	50	20	DDGD	
C[C@H](C(=O)NNc1cc(F)c(F)cc1F)[C@@H](C)S(C)(=O)=O	841409277	RRXXZALQUVPTEW-NKWVEPMBSA-N	324.324	1.616	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)C1(C(=O)NC2CC2)CC1	748005190	QZVQHDZNFFGDBS-UHFFFAOYSA-N	304.306	1.097	50	20	DDGD	
O=C(CCC(=O)c1cccs1)NNC(=O)CC(F)(F)F	918364735	TUIXFWGPFDQIIF-UHFFFAOYSA-N	308.281	1.811	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNc1nc2ccccc2n1C	848380621	LTIOQTHZGTUYQB-UHFFFAOYSA-N	310.361	1.991	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(O)c(Cl)c1	748252423	DEFFLKAJPHJFKN-SECBINFHSA-N	300.742	1.547	50	20	DDGD	
CCONC(=O)CNC(=O)NNc1ccc(C)cc1Cl	845531318	XNYMCDJMTNJYTQ-UHFFFAOYSA-N	300.746	1.342	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)Cc2cnn(C)c2C)cc1	846375731	IRFDSYRNHLTISY-UHFFFAOYSA-N	316.361	1.130	50	20	DDGD	
CN1CC[C@@H]2CC[C@H](C1)N2C(=O)/C(C#N)=C\c1ccc(O)cc1	923272423	JUJUQJLENQMKBZ-HGXPIFGLSA-N	311.385	1.994	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)Cn2nc3n(c2=O)CCCC3)c1	845854955	RWWITMMHVXCVBU-UHFFFAOYSA-N	315.377	1.141	50	20	DDGD	
O=C(NNC(=S)N[C@H]1CCOc2ccccc21)NC1CC1	741485742	ALWBZJVPPUQSSG-NSHDSACASA-N	306.391	1.351	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1ccccc1Br	748058741	XFUISDLPKPZCDL-ZDUSSCGKSA-N	322.206	1.990	50	20	DDGD	
Cn1c(CC(=O)NNC(=S)NCC2CC2)nc2ccccc21	849251931	SCAWCEIXEDCTEL-UHFFFAOYSA-N	317.418	1.021	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1cccn2c(O)nnc12	758425863	HLZZJWACAMAAHX-UHFFFAOYSA-N	309.289	1.068	50	20	DDGD	
Cn1cc(C=NNC(=O)c2cc(Br)ccc2O)nn1	755750085	NARJUNPNUFVHFI-UHFFFAOYSA-N	324.138	1.047	50	20	DDGD	
CC(C)COCCCNC(=O)NNC(=O)c1cccc(F)n1	851940311	YOXISMIMZBQWJV-UHFFFAOYSA-N	312.345	1.227	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])[C@H]1Cc2ccccc2O1	759301470	QMZUNBOUNJPEMQ-GFCCVEGCSA-N	300.274	1.437	50	20	DDGD	
CCOC(=O)/C=C\c1ccc(NC(=O)NNC(=O)COC)cc1	755845716	FIKPWTABJBIMRF-TWGQIWQCSA-N	321.333	1.062	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)N[C@H]1CCOC1	752255363	JWNGZUSGJHKMHB-PCPABOIYSA-N	307.394	1.322	50	20	DDGD	
OB(O)c1cccc(-c2noc(-c3cnn(C4CCC4)c3)n2)c1	924145872	OKZAVEMBYFRUNM-UHFFFAOYSA-N	310.122	1.005	50	20	DDGD	
COC(=O)c1ccc(C(=O)NC[C@@]2(C)C[C@@H]2Br)[nH]1	857388469	SONJHDMTDKELME-JOYOIKCWSA-N	315.167	1.705	50	20	DDGD	
CCn1cc(Br)cc1C(=O)NNc1cnnn1C	857271782	YURVRIOYUCGYOA-UHFFFAOYSA-N	313.159	1.156	50	20	DDGD	
CCOC(=O)N1CC[C@@H](NC(=O)NNc2cc(F)ccc2C)C1	854003071	YZCMNUQRGBRXKT-GFCCVEGCSA-N	324.356	1.991	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@@H](C)[C@H](CO)C1	857365738	RQRWQOBCTRIXCG-MFKMUULPSA-N	313.829	1.829	50	20	DDGD	
C[C@]1(CNC(=O)C2(O)CCSCC2)C[C@H]1Br	857734729	UUWYHYNSFCHKTA-PSASIEDQSA-N	308.241	1.534	50	20	DDGD	
N#CSCCCNC(=O)c1ccc(N2CCC(O)CC2)cc1	854362738	YQCVGSAMMPXZRX-UHFFFAOYSA-N	319.430	1.982	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)CN1C	853376289	OIMUYJPMBRQOLY-UXIGCNINSA-N	319.409	1.084	50	20	DDGD	
CC1(C)CC(=O)C(=CNNC(=O)c2cccc(F)n2)C(=O)C1	852999574	GZZHSBPNKSFVEJ-UHFFFAOYSA-N	305.309	1.297	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cc1Cl	853390404	WYDOLDYSJJACKZ-HIFRSBDPSA-N	321.808	1.962	50	20	DDGD	
CCN1CCC[C@H](NC(=O)NNc2ccc(C)c(F)c2)C1=O	925981956	DJCJMBHTDZKZIT-ZDUSSCGKSA-N	308.357	1.771	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCCC1=NNC(=O)OCC(F)(F)F	853430417	IDNFXICINMMRET-QMMMGPOBSA-N	316.301	1.618	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	857386492	VMHDCYSQKKJINQ-VDDIYKPWSA-N	305.216	1.424	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12	858703706	APRXBTOCBUMCQH-ZLZRZKQWSA-N	303.366	1.178	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cccc2c[nH]nc12	854280553	XVJCRUVODULRLU-UHFFFAOYSA-N	321.406	1.051	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cccc(F)n2)cnn1C(C)C	856423374	SNTUOHKLDUXRHA-UHFFFAOYSA-N	305.313	1.381	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NC[C@]1(C)C[C@H]1Br	857388516	TVHHGBRGDDVSAN-LNLATYFQSA-N	306.200	1.865	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NNc1cc(F)ccc1C	853934150	PIBZYTFFTZCNMO-VXGBXAGGSA-N	308.357	1.675	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)[C@@]3(C)C[C@H]4CC[C@H]3C4)nc21	859375486	UNEUVOKTLIYZKB-UTEYVOQOSA-N	316.365	1.338	50	20	DDGD	
CC[C@@H]1CC(=NNC(=O)C(=O)Nc2ccc(C)cc2)CCO1	756823019	GTZRCZMKTWWCEZ-CQSZACIVSA-N	303.362	1.995	50	20	DDGD	
O=C(CCOC1CCOCC1)NN=c1cc[nH]c2ccccc12	753341470	ODWNSBBOZYJFAP-UHFFFAOYSA-N	315.373	1.686	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cccnc2Cl)nc1	759734636	MPRJYDLBQIIJGH-UHFFFAOYSA-N	306.709	1.674	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2cccc(C#N)c2)CCN1C(C)C	931935954	UBSMOMBLKPGNLY-UHFFFAOYSA-N	312.373	1.707	50	20	DDGD	
C[C@]1(CNS(=O)(=O)C[C@@H]2CCCO2)C[C@H]1Br	856756159	KSXANUZJLZMOLO-IVZWLZJFSA-N	312.229	1.258	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2ncccn2)C[C@@H](C)C1(F)F	858545175	BPWYNFWAPAVGCM-DTORHVGOSA-N	313.308	1.054	50	20	DDGD	
O=C(NNC(=O)C1CCC(C(F)(F)F)CC1)c1cc[nH]n1	855357029	YAMOEIKVLWQZFD-UHFFFAOYSA-N	304.272	1.539	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H]2CCCS2)c1	750888862	GDDANGCNAXCTTL-LBPRGKRZSA-N	322.386	1.195	50	20	DDGD	
O=C(NNC(=O)C1CCC1)NC1(C(F)(F)F)CCOCC1	932295235	RTCKMGFSWHWCMC-UHFFFAOYSA-N	309.288	1.228	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NC[C@@H](O)c1cccnc1	752618341	SSOGYSWUOFSKHV-FCONWMNKSA-N	311.316	1.977	50	20	DDGD	
CN1CC[C@H](CNS(=O)(=O)CC(C)(C)CCl)CC1=O	867428816	QPERDKZQFLXOHQ-JTQLQIEISA-N	310.847	1.039	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2CCN(C(=O)c3ccccc3)C2)n1	862517673	FTCVJWXOGYUTCM-OAHLLOKOSA-N	324.384	1.995	50	20	DDGD	
COc1ccc(O)c(C(=O)NNC(=O)NCc2ccco2)c1	769732967	QPKJPZIFPNXYRD-UHFFFAOYSA-N	305.290	1.138	50	20	DDGD	
O=C(NNc1ccc(F)c(Cl)c1)C1CCS(=O)(=O)CC1	863080842	PIALRDHCMUCEHC-UHFFFAOYSA-N	320.773	1.747	50	20	DDGD	
CN(C)c1ccc2c(c1)NC(=O)C2=NNC(=O)Cc1cccnc1	761806516	COUQDAPICYJSPU-UHFFFAOYSA-N	323.356	1.163	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1CCCc2cn(C(C)C)nc21	765919917	LPKQCCHRDKMVID-LBPRGKRZSA-N	323.397	1.208	50	20	DDGD	
O=C(NCc1cnn(CC(F)(F)F)c1)NNC(=O)C1CCC1	763684033	YZRABWCZGFMVNO-UHFFFAOYSA-N	319.287	1.076	50	20	DDGD	
CNc1nnc(CC(=O)NNc2cccc(C(=O)OC)c2)s1	760032794	QZRWLRBJSJZZJI-UHFFFAOYSA-N	321.362	1.052	50	20	DDGD	
C[C@@H](NNC(=O)[C@@]1(C)Oc2ccccc2NC1=O)C(F)(F)F	869377433	YSSNBUYRRAKYLZ-KRTXAFLBSA-N	317.267	1.348	50	20	DDGD	
OB(O)c1ccc(CNc2ccc3c(c2)OC(F)(F)O3)cc1	864019274	YCEGIPPZBIUVLV-UHFFFAOYSA-N	307.061	1.300	50	20	DDGD	
CNC(=O)NNC(=O)[C@H]1[C@H]2c3cc(Br)ccc3C[C@H]21	864993575	YPIMPFYJOCPGNQ-OUAUKWLOSA-N	324.178	1.295	50	20	DDGD	
CCOC(=O)c1cc(NC(=O)NN=c2cc[nH]c(C)c2)cn1C	860748216	MPZAABXRLXNIBT-UHFFFAOYSA-N	317.349	1.476	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNC(=O)c2cccc(Cl)c2)n1	864475340	YHORAIHVLBBITC-JTQLQIEISA-N	320.780	1.942	50	20	DDGD	
C[C@@H](NNC(=O)C1CN(C(=O)C2CCCCC2)C1)C(F)(F)F	862321864	BREAFHBUTPEEIT-SECBINFHSA-N	321.343	1.597	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1ncc2n1CCCC2	865634981	IAGVPUMUMDKTHJ-UHFFFAOYSA-N	316.336	1.362	50	20	DDGD	
O=C(NNC(=O)c1ccnn1CC1CCC1)NC1CCCCC1	864462512	YQWXWXWUVYUHSC-UHFFFAOYSA-N	319.409	1.960	50	20	DDGD	
COCCOc1cccc(NC(=O)NNc2cnccn2)c1	769970545	FTSPGABGUFJKMQ-UHFFFAOYSA-N	303.322	1.650	50	20	DDGD	
COc1ccc2c(c1)CC[C@H](C(=O)NNC(=O)C(C)(C)C)C2	878249958	CFXQENLJQMEKBW-ZDUSSCGKSA-N	304.390	1.994	50	20	DDGD	
COc1ccccc1SCC(=O)NNc1nccnc1OC	764470516	SKXZKILVTXNKRL-UHFFFAOYSA-N	320.374	1.729	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)c2ccc(OC)cc2)cn1	1115852047	CXQLBLGDLXHCHX-UHFFFAOYSA-N	315.329	1.564	50	20	DDGD	
CC[C@H](COCC(F)(F)F)NC(=O)NN(C)C(=O)OC	875630453	OEJGIJCVBZOSJQ-SSDOTTSWSA-N	301.265	1.256	50	20	DDGD	
C[C@H](C1CC1)N(CC(=O)NNC(=O)c1cccs1)C1CC1	777558544	YUBDXXLLOITQJT-SNVBAGLBSA-N	307.419	1.772	50	20	DDGD	
O=C(NNc1ccccn1)c1ccc(N2C(=O)CCC2=O)cc1	777468357	XPNUXTUMSMCCED-UHFFFAOYSA-N	310.313	1.492	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccc(-c2cnn(C)c2)cc1	1116873726	HMELUNLPKVWFPY-UHFFFAOYSA-N	313.361	1.062	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)NNc2cnccn2)C1	779100690	JPBHPSPAQPSVHX-NSHDSACASA-N	321.381	1.567	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)CC[C@H]1CCOC1	873769881	RWSPSURHQSBRSU-NSHDSACASA-N	323.418	1.830	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2cc3ccccc3cc2O)CC1	779161423	FRIHLPXJSMQWPG-UHFFFAOYSA-N	314.341	1.733	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1c(F)cc(F)c(F)c1F	875544175	QZUJFOVEJWDLMB-UHFFFAOYSA-N	309.219	1.655	50	20	DDGD	
CC[C@H](C(=O)NNc1nnc(C)c(O)n1)c1ccc(OC)cc1	776222746	STILFBWOMCMHOZ-LBPRGKRZSA-N	317.349	1.531	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)Cc2c[nH]c3ccccc23)CCO1	776336138	GAVXXOIEVQLMIL-NEPJUHHUSA-N	315.373	1.673	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCC=C(Cl)C2)cc1	878791625	BUBCZFIDDBPNET-UHFFFAOYSA-N	307.781	1.584	50	20	DDGD	
O=C(CCc1ccc2c(c1)CCO2)NNC(=O)[C@H]1CCCCO1	1117763102	WOQQJHPGJUMCEZ-OAHLLOKOSA-N	318.373	1.271	50	20	DDGD	
CCN(CCCNC(=O)NN(C)C(=O)OC)c1ccccc1	875019520	BYKNCKICXCWZBF-UHFFFAOYSA-N	308.382	1.815	50	20	DDGD	
C[C@@H](NCC(=O)NNC(=O)C(C)(C)C)c1ccc(N(C)C)cc1	775836560	NQZLXZYCMFVWIZ-GFCCVEGCSA-N	320.437	1.597	50	20	DDGD	
CCN(C[C@H]1CCCO1)C(=O)NNC(=O)c1cc(C)cs1	1118864146	LMFOEEMRQHYJBC-LLVKDONJSA-N	311.407	1.912	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cc2ccccc2cc1O)N(C)C	878007257	QPVZEGHJULAHSC-JTQLQIEISA-N	301.346	1.257	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cc(F)cc(Cl)c1	883065859	YRDPSBFQJGEZBR-UHFFFAOYSA-N	300.717	1.667	50	20	DDGD	
COc1ccccc1Nc1ncccc1C(=O)NN(C)C(N)=O	770439334	CEOJIGCRZAFBHH-UHFFFAOYSA-N	315.333	1.489	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNc1ccnc(Br)c1	771530351	BGHHCVHXLQDXCO-JTQLQIEISA-N	313.199	1.772	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H](C)N1CCSCC1	772843006	YCJNBEYSBHEBES-NSHDSACASA-N	309.439	1.480	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CSc1ccccc1O	770903673	SJPDYZAPQWOLBQ-ZJUUUORDSA-N	310.375	1.057	50	20	DDGD	
O=S(=O)(CCCCl)N1CC[C@@H](OCc2ccncc2)C1	882147347	LWESYESALUPPLL-CYBMUJFWSA-N	318.826	1.631	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CCOCC2)c(C(F)(F)F)o1	883067953	BVWDRTFXGNHNDK-UHFFFAOYSA-N	320.267	1.794	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1COc2ccc(OC)cc2C1	887140883	WVKYATURXYPJJK-CYBMUJFWSA-N	316.357	1.197	50	20	DDGD	
Cn1cccc1C(=O)NN=Cc1cc(Br)nn1C	782186730	ZWZWQPFQOBARBV-UHFFFAOYSA-N	310.155	1.285	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(C(=O)NC2CC2)cc1	887145902	WSNSLWVTLZRCDL-UHFFFAOYSA-N	313.357	1.143	50	20	DDGD	
C[C@@H](CCc1ccco1)NC(=O)NNC(=O)C1CCOCC1	883073286	LRHSQJPXHMVGNX-NSHDSACASA-N	309.366	1.358	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C2CC2)cc(OC)c1C(C)C	781136657	NDSHQRRGEXTEAE-UHFFFAOYSA-N	306.362	1.998	50	20	DDGD	
CCCN(C)CC(=O)NNC(=O)NCc1ccc(Cl)cc1	787432830	DIUPGOCFAZJWRZ-UHFFFAOYSA-N	312.801	1.512	50	20	DDGD	
CC(C)[C@H](F)C(=O)NNC(=O)c1nnc(O)c2ccccc12	784145757	QJRIESVQXGHKKS-JTQLQIEISA-N	306.297	1.091	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(OC(C)C)cc1Cl	782103386	MCOKHQFECCMKAR-UHFFFAOYSA-N	315.757	1.926	50	20	DDGD	
N#CC1=CCN(C(=O)CSCC(=O)N2CCCCC2)CC1	780688763	AMHZUUWYXSWEEN-UHFFFAOYSA-N	307.419	1.414	50	20	DDGD	
C#CC[C@H](NC(=O)NNC(=O)C1CCOCC1)c1ccccc1	883538433	UVODOKFROVLVGE-HNNXBMFYSA-N	315.373	1.508	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CN3CCN2C[C@H]3C)ccc1Cl	1124033519	RWOMWHSYJHOYLZ-RISCZKNCSA-N	308.813	1.480	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)c3ccccc32)c(O)c1	789901689	UKASXOJFTDWGEH-CQSZACIVSA-N	324.336	1.832	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCC(=O)c2ccccc21	786115550	VAFBIQCEWGCZME-LBPRGKRZSA-N	312.329	1.239	50	20	DDGD	
CC(=O)Nc1ccc(C)c(C(=O)NNC(=S)NC(C)(C)C)c1	781022427	APUXRLIVISRZOB-UHFFFAOYSA-N	322.434	1.861	50	20	DDGD	
CC(C)(C)[C@H]1CCN(CC(=O)NNC(=O)c2cccs2)C1	784513700	FFDRHLKCBATZEG-NSHDSACASA-N	309.435	1.877	50	20	DDGD	
CO[C@@H]1CCOC[C@H]1NC(=O)NNc1ccc(Cl)nc1	898097142	PLXJGHIBECXGDC-NXEZZACHSA-N	300.746	1.165	50	20	DDGD	
NC(=S)c1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cc1	798334914	WSPXYBGUKFZZRU-UHFFFAOYSA-N	316.342	1.986	50	20	DDGD	
C[S@](=O)c1cccc(C(=O)NNc2nc3ccccn3n2)c1	791244558	LQSZBJXQLYHQHL-QFIPXVFZSA-N	315.358	1.224	50	20	DDGD	
Cn1nncc1C(=O)NNc1ccc(OC(F)(F)F)cc1	798981106	AMQKDFLQFRHXOY-UHFFFAOYSA-N	301.228	1.471	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN[C@H]2CSC[C@H]2C)c1	796395640	QPWKZWCDBAOTFC-YPMHNXCESA-N	307.419	1.097	50	20	DDGD	
CCCC[C@H](S[C@@H](C)C(=O)NNC(=O)CC)C(=O)OC	794451378	UYUUBBKYWOMQLD-UWVGGRQHSA-N	304.412	1.397	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)O1	1319246475	TVIDWTOJJYAPNS-JOYOIKCWSA-N	306.366	1.007	50	20	DDGD	
CN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)CCl	1319682483	JOHJODULVVSTFR-UHFFFAOYSA-N	319.810	1.556	50	20	DDGD	
N#Cc1ccccc1/C=C\C(=O)NNc1nncc(N)c1Cl	1319406568	YQWAQQZXLJCIJM-WAYWQWQTSA-N	314.736	1.740	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2C[C@H](C)O[C@H](C)C2)cc1	1319660903	ZHSUYJXQSUBBLX-PTEHBNRSSA-N	321.377	1.595	50	20	DDGD	
N#Cc1cccc(CNC(=O)NNc2nncc(N)c2Cl)c1	1319209607	YVQYTWGTPGORQM-UHFFFAOYSA-N	317.740	1.410	50	20	DDGD	
CCOCc1ccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	1325358626	GDYQKEBFONSCMM-AWEZNQCLSA-N	321.377	1.945	50	20	DDGD	
CCC(C)(C)NC(=S)NNC(=O)CCN1CCC(C)CC1	1320691978	HMIAPQQIVQMFFU-UHFFFAOYSA-N	314.499	1.792	50	20	DDGD	
O=C(COCC1CCCC1)NNC(=O)c1n[nH]c2c1CCCC2	1324882839	YURFNFLLOWPXPW-UHFFFAOYSA-N	320.393	1.256	50	20	DDGD	
COc1ccc(C(=O)NNS(=O)(=O)CCCCF)cc1	1324428214	HYVOLUDRVYNWFW-UHFFFAOYSA-N	304.343	1.009	50	20	DDGD	
Cc1conc1NC(=O)NNC(=O)c1c(C)nc2ccccn12	1321035616	WJWLLXNYOGRZNA-UHFFFAOYSA-N	314.305	1.406	50	20	DDGD	
C[C@]1(C(=O)N2CCC(F)(F)[C@H](CO)C2)C[C@@H]1Br	1334944808	MZQCKCWYFNGAPZ-NRPADANISA-N	312.154	1.636	50	20	DDGD	
C[C@@H]1CC[C@H](CC(=O)NNC(=O)c2n[nH]c3c2CCCC3)C1	1332493664	QUSUOJGREWBEHV-MNOVXSKESA-N	304.394	1.876	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CO[C@@H]2CCOC2)c1	1261904647	KWIBJDYMHWCBHP-GFCCVEGCSA-N	309.391	1.118	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cnc(C)c(Br)c1	1347848006	PUOKFJYJTZUKQT-UHFFFAOYSA-N	301.144	1.715	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CSCc2cccs2)n[nH]1	1348730710	ZZSIVMOTBCINCV-UHFFFAOYSA-N	324.431	1.403	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)c2cncn2-c2ccccc2)[nH]1	1340357541	UQFPGBKJXUACLT-UHFFFAOYSA-N	323.356	1.892	50	20	DDGD	
Cc1c(NNC(=O)[C@@H](C)CN2CCOCC2)cccc1C(=O)O	1600050850	JRLMZTALTNQJIQ-NSHDSACASA-N	321.377	1.105	50	20	DDGD	
NC[C@H]1CC[C@H](NC(=O)NNc2ccc(C(=O)O)c(F)c2)C1	1601184259	ISWUTALKJYQXRQ-IUCAKERBSA-N	310.329	1.277	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NNc2ccccc2C(=O)O)C1	1609852430	LPLNREGIAHKGLE-SNVBAGLBSA-N	305.334	1.086	50	20	DDGD	
N#Cc1cccc(NNC(=O)CCc2ocnc2C(=O)O)c1	1608218784	YUEQUNCWCHSMKM-UHFFFAOYSA-N	300.274	1.320	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2cc(C(=O)O)on2)c1	1601087315	FLPXWVVWZRNAIO-UHFFFAOYSA-N	307.653	1.050	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@H]2CCc3c[nH]nc3C2)ccc1F	1602286602	NFCBCSYIGKFOEI-QMMMGPOBSA-N	318.308	1.495	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1ccc(C(=O)O)c(F)c1	1601553553	LXEBUNLDJGJXHS-UHFFFAOYSA-N	309.297	1.867	50	20	DDGD	
Cn1ccnc1CN1CCN(C(=O)C2CCC(Cl)CC2)CC1	1548643556	NULMVRWOCHQUOG-UHFFFAOYSA-N	324.856	1.862	50	20	DDGD	
CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1	1817015117	NAXWHQNONPJJFA-GHMZBOCLSA-N	314.773	1.021	50	20	DDGD	
Cn1cccc1C(=O)NN=C[C@H]1CCCO[C@@H]1c1nccn1C	1552452403	LFFXMUCKUKCUHP-OCCSQVGLSA-N	315.377	1.642	50	20	DDGD	
C#CC(=O)NC[C@@H]1CCN(C(=O)[C@H](F)Cl)[C@H]1c1cccnc1	1812527940	YOOIRYMCGDUEGG-UBHSHLNASA-N	323.755	1.255	50	20	DDGD	
CN(CC(=O)NNc1ncccc1C(=O)O)Cc1ccccc1	1573997893	KNRIZOMKGCLHFC-UHFFFAOYSA-N	314.345	1.355	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@H](F)[C@H]1CCNC1)c1ccccc1	1575092637	SIJZDGIPFQQUQT-WCQYABFASA-N	307.369	1.059	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CC[C@@H]3CNC[C@@H]3C2)c1	1579832869	ZWMLIRSNJDDMRR-GRYCIOLGSA-N	322.434	1.389	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@@]2(c3ccccc3)C[C@H]2Br)CCN1	1576763439	SMSFMANYWNNXGG-UXIGCNINSA-N	323.234	1.912	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1NCCC1(C)C	1576295356	LZNAVYOCBAGRMY-MFKMUULPSA-N	323.368	1.129	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(F)c1C(=O)O)c1cnn(C)c1	1589424379	UPNKFOKKWIAQHM-QMMMGPOBSA-N	306.297	1.504	50	20	DDGD	
C/C=C/C(=O)N1CCCC12CN(C(=O)[C@H](C)Br)C2	1845963875	WCTAJBVDYJJUEW-GFAPAMAISA-N	315.211	1.549	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)/C=C\c1cc(C(=O)O)co1	1589832070	NPXUAJRGDNWJPF-PLNGDYQASA-N	311.363	1.285	50	20	DDGD	
CC(C)(CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1(F)CC1	1847439232	SAVIEAMZQNRHFX-QWRGUYRKSA-N	316.804	1.955	50	20	DDGD	
CC(C)(C)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl	1847558377	LDVIZLDIDXXVHN-SRVKXCTJSA-N	316.829	1.224	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cc(C(=O)O)ccc2O)cc1	1599484820	GWAFCKZTJWOQAT-UHFFFAOYSA-N	314.297	1.863	50	20	DDGD	
Cn1nc(C(=O)O)cc1C(=O)NNc1ccc(Cl)cc1F	1594568113	HUQXDRPURCWHKP-UHFFFAOYSA-N	312.688	1.668	50	20	DDGD	
O=C(O)CSCC(=O)NNc1cccc(Br)n1	1595126938	VVRCPZRZMROPSS-UHFFFAOYSA-N	320.168	1.105	50	20	DDGD	
CCn1nc(C)cc1C(=O)NNc1ccc(C(=O)O)cc1F	1597943270	QDZDVNJXLVDMPI-UHFFFAOYSA-N	306.297	1.806	50	20	DDGD	
COC1(CNC(=O)NNc2cccc(C(=O)O)c2)CCCC1	1599090373	WERNKEUOYAQCFY-UHFFFAOYSA-N	307.350	1.970	50	20	DDGD	
O=C(Cc1ccccc1C(=O)O)NNC(=O)c1ccccc1F	1594709666	FGMQLZDSWOIAFO-UHFFFAOYSA-N	316.288	1.528	50	20	DDGD	
COc1cccc(O)c1C(=O)NNc1ccc(CC(=O)O)cc1	1599680522	VVTSVYWQRXKIAY-UHFFFAOYSA-N	316.313	1.785	50	20	DDGD	
CN(C)c1ccnc(NC(=O)NNc2cccc(C(=O)O)c2)n1	1598345590	DYSHTZRTVCOQDY-UHFFFAOYSA-N	316.321	1.389	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)C1CCC2(CC1)CC2	1593164523	KGHDJIFXBJKQNI-UHFFFAOYSA-N	313.365	1.675	50	20	DDGD	
CCCCCCNC(=O)/C(C#N)=C/c1c(C(=O)O)cnn1C	1776789120	WJMWBDMHICTKFH-DHZHZOJOSA-N	304.350	1.722	50	20	DDGD	
CC(C)N(N=Cc1cn(CC(=O)O)nn1)C(=O)OC(C)(C)C	1776110502	FPRVZZVSYHYABN-UHFFFAOYSA-N	311.342	1.342	50	20	DDGD	
COCCNC(=S)NNC(=O)C12CC3CC(CC(C3)C1)C2	16271216	LBAAZZVZPRUGQV-UHFFFAOYSA-N	311.451	1.345	50	20	DDGD	
C[C@H]1CC(=O)CC[C@H]1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	158832282	CMJZQRNZXUDKEZ-TVQRCGJNSA-N	319.317	1.361	50	20	DDGD	
COC(=O)NNC(=O)c1cc(Cc2ccccc2)ccc1O	158847816	NVGIPDGMSBAIRS-UHFFFAOYSA-N	300.314	1.984	50	20	DDGD	
CCCN(CCC)CC(=O)NNC(=O)c1cccc(C#N)c1	164811446	JRLXFZUUCGJTKJ-UHFFFAOYSA-N	302.378	1.441	50	20	DDGD	
CC(C)(C(=O)NNc1cnccn1)c1ccc2c(c1)OCCO2	151829287	DXUOMCGCFZBZIY-UHFFFAOYSA-N	314.345	1.669	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccc(-n3cnnc3)cc2)cc1	155149705	AKDVXUVSPGKTKM-UHFFFAOYSA-N	304.313	1.896	50	20	DDGD	
CC(C)n1nccc1C(=O)NNC(=O)c1cccc(N(C)C)c1	156417669	OXYJIIUOOPWOQN-UHFFFAOYSA-N	315.377	1.605	50	20	DDGD	
CS[C@@H](C)C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1	154390713	MVRUYSLATWOPML-QMMMGPOBSA-N	322.365	1.728	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NNc2ncccn2)C1	159622242	MUOCXLLMANYIBQ-NWDGAFQWSA-N	305.382	1.204	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)c2ccc(CCCl)cc2)CC[C@H]1O	253188891	LKZNPEYGIBMJCR-BXUZGUMPSA-N	317.838	1.859	50	20	DDGD	
CCNC(=O)NN=CC(C)(C)N1C(=O)c2ccccc2C1=O	782201441	PHEYEPRBVFMDES-UHFFFAOYSA-N	302.334	1.366	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)COc1ccccc1	106288041	XQXTUNKVCAOSQO-UHFFFAOYSA-N	314.341	1.551	50	20	DDGD	
Cc1noc(C)c1CN(C)[C@@H](C)C(=O)NNC(=O)CC(C)C	109829719	OSBTXCCLIPXINO-NSHDSACASA-N	310.398	1.305	50	20	DDGD	
CCS(=O)(=O)CC(=O)NNc1cccc(C(F)(F)F)c1	103276589	NCWLXJGZAFSYON-UHFFFAOYSA-N	310.297	1.583	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCCN(c2ccccc2)CC1	111204615	BWDRTICFJLYQNM-AWEZNQCLSA-N	318.421	1.145	50	20	DDGD	
Cc1cc(NNC(=O)Nc2cccnc2N2CCCC2)ncn1	171820234	VXIRGIXNQPELFK-UHFFFAOYSA-N	313.365	1.929	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H](C(C)C)N(C)C)c1ccccc1	110963227	OVBZYKRXKIDJSB-HUUCEWRRSA-N	305.422	1.914	50	20	DDGD	
COc1ccccc1C(=O)NNS(=O)(=O)c1ccccc1C	109145124	OQWPOMWOYSIVDY-UHFFFAOYSA-N	320.370	1.627	50	20	DDGD	
CCCOc1ncccc1CNC(=O)NNc1ccc(C)nn1	106335595	LFLNAMWQVQTIHM-UHFFFAOYSA-N	316.365	1.795	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)NCC(C)C)cc1OC	58839710	RYEYXKRWAOIQSH-UHFFFAOYSA-N	311.407	1.469	50	20	DDGD	
C[C@@H]1CN(C(=O)c2ccc(CNC=C(C#N)C#N)cc2)C[C@@H](C)O1	67952304	PVCKBOSTSFFJAT-ZIAGYGMSSA-N	324.384	1.957	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)CC[C@H]1CCCCO1	111613592	LZVUNKKOTDTVDZ-CQSZACIVSA-N	320.389	1.822	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cnc(-c3ccco3)s2)[nH]n1	178370673	HRYZOHVGDNCSST-UHFFFAOYSA-N	317.330	1.509	50	20	DDGD	
N#CC1CCN(C(=O)NNC(=O)c2cccc3cccnc23)CC1	64631286	DQRLJAFHLZLXIY-UHFFFAOYSA-N	323.356	1.825	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cccc2c(C)c(C)[nH]c12	110758727	MLANVVWDLWKHLC-UHFFFAOYSA-N	311.345	1.891	50	20	DDGD	
Cc1cccc(C)c1OCCC(=O)NNC(=O)c1cnn(C)c1	117681334	IQSWYXIIHWFTBI-UHFFFAOYSA-N	316.361	1.267	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NNC(=O)OC(C)(C)C	173605167	UZBMRBGGLPIEBS-UHFFFAOYSA-N	316.789	1.908	50	20	DDGD	
C[C@@]1(COC(=O)c2cn(C3CC3)nn2)C[C@@H]1Br	1263537761	XPISMKHLIKHUEV-ONGXEEELSA-N	300.156	1.943	50	20	DDGD	
O=C(NNC(=O)c1ccccc1OC(F)F)c1cccnc1	23681889	DUAITSQSHHAXHH-UHFFFAOYSA-N	307.256	1.758	50	20	DDGD	
COCC(=O)N(C)CC(=O)NNc1ccc(Cl)cc1Cl	179478321	TYWWCYYSZCVXDH-UHFFFAOYSA-N	320.176	1.541	50	20	DDGD	
CCN1CCC[C@H]1CNC(=O)NNC(=O)c1cccc(Cl)c1	175383258	NXBGCWHXZVWPMH-ZDUSSCGKSA-N	324.812	1.768	50	20	DDGD	
CN(C)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)OC(C)(C)C)C1	176611575	NFRGGPDNDXSMCA-GHMZBOCLSA-N	300.403	1.598	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cncc(F)c2)cc1	129226654	HWWFANAYQDYLIP-UHFFFAOYSA-N	302.309	1.402	50	20	DDGD	
Nc1c(C(=O)NNC(=O)c2ccccc2)cccc1[N+](=O)[O-]	178145818	UBONCSLTSPBEEI-UHFFFAOYSA-N	300.274	1.252	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)[C@@H]1C[C@H]2CC[C@@H]1O2	124390373	YVUVKQBNOJBZRB-PRJMDXOYSA-N	302.256	1.506	50	20	DDGD	
CC(C)OCCCC(=O)NNC(=O)COc1ccc(F)cc1	183949249	BLOZMIFKHKEOJJ-UHFFFAOYSA-N	312.341	1.557	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2cccc(C#N)c2)c1	181147940	HMXJWTKPKOJCOZ-UHFFFAOYSA-N	315.354	1.719	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)CC[C@@H]2CCCO2)c1	75541668	WZUAZYFCXMYYLV-AWEZNQCLSA-N	305.378	1.473	50	20	DDGD	
C[C@H](NC(=O)NNc1c(F)cccc1Cl)c1nncn1C	184750381	VURBAZCOFZHHBW-ZETCQYMHSA-N	312.736	1.995	50	20	DDGD	
COc1ccccc1[C@@H](C)CC(=O)NNC(=O)Cc1cc[nH]n1	186122746	VPIDKTIGUMZAQX-NSHDSACASA-N	316.361	1.302	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NC[C@@H](C)CN1CCOCC1	185430822	VJXPXPGVJSBBKU-GFCCVEGCSA-N	324.400	1.729	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1ccc(-n2cncn2)cc1	185217928	PPYNVBQMVYYWGF-UHFFFAOYSA-N	322.328	1.349	50	20	DDGD	
COCC(=O)N[C@H](C(=O)NNc1cccc(Cl)c1)C(C)C	131168088	NOKFTDFHAYEYKR-ZDUSSCGKSA-N	313.785	1.570	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNc1nccc(OC)n1	184766697	KMUKAOCBLGDTLC-NEPJUHHUSA-N	308.382	1.914	50	20	DDGD	
Cc1nc(CC(=O)NNC(=O)c2ccc(C#N)cc2)cs1	42522425	JODAEUZBTBRUTI-UHFFFAOYSA-N	300.343	1.327	50	20	DDGD	
CC(C)Cc1cc(C(=O)NNC(=O)c2cccn2C)cc(O)n1	132692861	YVESUWXECBZASY-UHFFFAOYSA-N	316.361	1.399	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)CCC(C)(C)C)C[C@@H](C)O1	130217716	OUUTWPVKKCXSRB-BETUJISGSA-N	313.442	1.459	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2COc3ccccc3C2)n1	47094728	OTXWPSLMUFKGPO-CYBMUJFWSA-N	313.361	1.723	50	20	DDGD	
CCn1cc(NC(=O)NNC(=O)c2ccc(C)cc2O)cn1	48351295	MMKHWSBIXGYTAU-UHFFFAOYSA-N	303.322	1.384	50	20	DDGD	
CCN(CC)CCCNC(=O)NNc1nc2ccccn2n1	190330868	JZNRXBGDCRJUAG-UHFFFAOYSA-N	305.386	1.087	50	20	DDGD	
Cc1ncc(CO)c(C=NNC(=O)c2ccc(O)cc2)c1O	254450101	RFDATBVTFREXAW-UHFFFAOYSA-N	301.302	1.057	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccc2c(c1)OCCO2)C(C)(C)C	265197719	BWDYFYCLPWIPFF-JTQLQIEISA-N	306.362	1.901	50	20	DDGD	
O=C(COCC(F)(F)F)NNc1nc(-c2cccnc2)no1	263971417	VOJOAUYOIULBEE-UHFFFAOYSA-N	317.227	1.154	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C(=O)NNC(=O)C2CCC2)c1C	264830949	YXSPXPOEJLZQLX-UHFFFAOYSA-N	307.350	1.369	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1oc2ccccc2c1COC	272693021	QYCREQZKJQLQAH-UHFFFAOYSA-N	305.334	1.885	50	20	DDGD	
CCCNC(=O)c1ccc(NC(=O)NNC(=O)CC2CC2)cc1	273520149	WFLNRMZFGMNLHZ-UHFFFAOYSA-N	318.377	1.779	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C2CC2)ccc1C(=O)N(C)C	274098391	JNQGMAPCFNSMDH-UHFFFAOYSA-N	304.350	1.260	50	20	DDGD	
Cn1cc([C@H](CO)NC(=O)[C@@H](Br)C(C)(C)C)cn1	274375179	LPFWUNDVULYGIX-VHSXEESVSA-N	318.215	1.379	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccccc1SCC(N)=O	273299215	FDKXZGAELSNDKN-SECBINFHSA-N	324.406	1.463	50	20	DDGD	
CN1CCC[C@@H]1C(=O)NNc1nnc(-c2ccccn2)s1	276536505	ZGHWUUBNPWQUAO-SNVBAGLBSA-N	304.379	1.137	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnc2c(C)cc(F)cc2c1O	272710399	XJQRHRIZOVGNOW-UHFFFAOYSA-N	320.324	1.694	50	20	DDGD	
CC[C@@H]1C[C@H](C(=O)NNC(=O)COc2ccccc2F)CCO1	272513696	WLKLGJFFVMOWFU-VXGBXAGGSA-N	324.352	1.557	50	20	DDGD	
CCOc1ccccc1NC(=O)C(=O)NNC(=O)C(C)(C)C	271709091	NJFVGUZQXHAOLH-UHFFFAOYSA-N	307.350	1.217	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@H]2CCCCN2C2CC2)n1	277725719	HZYSNDOQDCXGDC-CYBMUJFWSA-N	319.409	1.733	50	20	DDGD	
CCc1n[nH]c(C(=O)NNC(=O)CC(C)C)c1Br	279106751	YDCVWUNKGNIRRA-UHFFFAOYSA-N	317.187	1.542	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc(C(F)(F)F)cc1O	271875726	PKMNGHZJLMTCBE-UHFFFAOYSA-N	302.252	1.972	50	20	DDGD	
COCCOc1ccc(NC(=O)NNC(=O)CC2CC2)cc1	273331324	NSWDTDUZQMJLPS-UHFFFAOYSA-N	307.350	1.665	50	20	DDGD	
COCCCCNC(=O)NNc1cccc(S(C)(=O)=O)c1	271927459	ZFALYNNMVOZKOO-UHFFFAOYSA-N	315.395	1.143	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	376015700	GLSAPXTWBKXVRM-CYBMUJFWSA-N	323.368	1.767	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1cccc(F)c1Cl	287602598	DJXIMCHRJRKRIG-UHFFFAOYSA-N	316.720	1.110	50	20	DDGD	
C=CC[C@@H](CC)NC(=O)NNC(=O)COc1ccc(F)cc1	281359993	NEZPJUSFMOFRPM-GFCCVEGCSA-N	309.341	1.890	50	20	DDGD	
Cc1cc(C(=O)NNc2nnc(-c3ccccn3)s2)ns1	373118936	WNYLDBZFPCHJRV-UHFFFAOYSA-N	318.387	2.122	50	20	DDGD	
CCCn1nc(C)c(C(=O)NNC(=O)NCC(F)(F)F)c1C	280872343	BVOZMURCEIJFNI-UHFFFAOYSA-N	321.303	1.416	50	20	DDGD	
CC(C)[C@@H]1NCC[C@@H]1C(=O)NNc1ncnc2ccsc12	289619606	OSXUJYRSJRXTDS-ONGXEEELSA-N	305.407	1.769	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(C(C)(C)C)nn2C)n1	298724751	FPKCSTNCGKHSIP-UHFFFAOYSA-N	304.354	1.273	50	20	DDGD	
CCc1nc(C)c(CNC(=O)NNc2nccc(OC)n2)o1	293238447	BDQHBMTUCNKZTN-UHFFFAOYSA-N	306.326	1.170	50	20	DDGD	
COc1cccc2[nH]cc(CC(=O)NNC(=O)[C@@H]3CCCO3)c12	292218617	UUYWQDBCHCMVAR-ZDUSSCGKSA-N	317.345	1.045	50	20	DDGD	
C[C@]1(CNC(=O)NNc2ccncn2)OCCc2sccc21	297032545	JXUAWDJXNOCSLT-CQSZACIVSA-N	319.390	1.652	50	20	DDGD	
O=C(NNC(=O)c1cc(-n2cccn2)ccn1)Nc1ccccc1	801989675	YMWNYKZFZYFDSV-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)Nc1ccc(F)cn1	806404674	FNEMISWTRQFPIC-UHFFFAOYSA-N	314.284	1.345	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)NC1CC1)[C@H]1OCCc2sccc21	293016554	UZWHFZAAPPJTMM-PRHODGIISA-N	309.391	1.491	50	20	DDGD	
CO[C@H](CNC(=O)NNc1ccc2c(O)nccc2c1)C1CC1	297460173	KREMSKWBRBKPJT-CQSZACIVSA-N	316.361	1.992	50	20	DDGD	
CC[C@H](C)[C@H](CNC(=O)NNC(=O)c1ccc(C#N)cc1)OC	296281505	IGBUEQPFWOJQRX-FZMZJTMJSA-N	318.377	1.563	50	20	DDGD	
CCCc1cnc(NC(=O)C(=O)NNc2ncccc2F)s1	807300270	GYHSEGNFFZATNL-UHFFFAOYSA-N	323.353	1.712	50	20	DDGD	
COc1cccc([C@H](C)NC(=O)NNC(=O)[C@H]2CCCCO2)c1	296287652	JIYRKBKNJREBFO-SMDDNHRTSA-N	321.377	1.656	50	20	DDGD	
COCCN(C)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1	297226311	XZPJCLZQLONXTN-UHFFFAOYSA-N	321.255	1.837	50	20	DDGD	
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNS(=O)(=O)CCl	708560611	IHHHJKYWKFHSPJ-OCCSQVGLSA-N	316.854	1.870	50	20	DDGD	
CC(C)(CC(=O)NNc1ccc(-n2ccnc2)nn1)C1CC1	293944352	IGJWKICSUFMINI-UHFFFAOYSA-N	300.366	1.932	50	20	DDGD	
CS(=O)(=O)Nc1ccccc1C(=O)NNc1cccc(F)n1	804772459	JFGBKMQFFJPZMH-UHFFFAOYSA-N	324.337	1.349	50	20	DDGD	
O=C(NNc1ncncc1F)[C@@H]1CCN(c2ccccc2F)C1	293637903	AAJTXNRXDJWTJR-SNVBAGLBSA-N	319.315	1.724	50	20	DDGD	
CC[C@@](O)(C(=O)NNC(=O)NC(C)C)c1cccc(Cl)c1	800467387	XZPSNJDYGYCXGB-AWEZNQCLSA-N	313.785	1.676	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)[C@@H]2CCCO2)cc(OC)c1	291931600	SUWXOBMFWRBQQT-LBPRGKRZSA-N	309.322	1.036	50	20	DDGD	
C[C@H](C(=O)NNc1ccccc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	298133788	GFSKLHPSBBGFIM-XBFCOCLRSA-N	315.373	1.693	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)[C@H](C)Oc2ccccc2F)nn1	807952849	KZZNVAYIVRLAFO-NSHDSACASA-N	319.340	1.916	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)NC1CCN(C2CCC2)CC1	297605550	ZPMFAZYVVKZCHK-UHFFFAOYSA-N	316.405	1.648	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(-c2ccccc2)nc1O	808073906	UDWXBVMQBBTXKE-UHFFFAOYSA-N	301.346	1.677	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccccc1N1C(=O)CCC1=O	298757501	JNZODJCQSQVQOL-ZHACJKMWSA-N	313.313	1.722	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1csc(-c2ccccc2)n1	806732134	LSCRNUUGDBPKBG-UHFFFAOYSA-N	319.390	1.524	50	20	DDGD	
O=C(NN=C1CC[C@H]2CNc3cccc1c32)N1CCOCC1	814821434	WAGZZHOXFYINOK-NSHDSACASA-N	300.362	1.735	50	20	DDGD	
C[C@@](C#N)(CC(=O)O)C(=O)NNC(=O)CCCc1cccs1	819848398	SJHCHOCRAKLRBI-AWEZNQCLSA-N	323.374	1.223	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)c1cccc2ncccc12	812501503	BHTYLJLOGCFLBY-RYUDHWBXSA-N	315.373	1.914	50	20	DDGD	
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NNC(=O)CC1CC1	819117657	BDHNNWPMIOWYMK-MRXNPFEDSA-N	315.373	1.909	50	20	DDGD	
C[C@@H](C(=O)NNc1ncc(F)cn1)c1ccc2c(c1)OCO2	815881242	IKPJDQAOEUCESO-MRVPVSSYSA-N	304.281	1.591	50	20	DDGD	
Cc1ccc(-c2n[nH]cc2C=NNC(=O)C(=O)NC2CC2)cc1	812452240	QYPMFOZZSIQELL-UHFFFAOYSA-N	311.345	1.114	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNc1nc(-c2cccnc2)no1	812497414	YBVWGUHSOLUHMT-VHSXEESVSA-N	305.338	1.493	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)Cc2cccnc2)C[C@H](CC)O1	817157951	SJZAAMOMAHQDCL-KBPBESRZSA-N	320.393	1.254	50	20	DDGD	
CSc1ccc(C=NNC(=O)C(=O)Nc2ccccn2)s1	814869485	LAWMSQUFXXPPOE-UHFFFAOYSA-N	320.399	1.954	50	20	DDGD	
Cc1nc2ccc(C(=O)NNc3ncncc3F)cc2nc1C	817081419	ADKUQTRCOMQIAO-UHFFFAOYSA-N	312.308	1.933	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)COCc1ccccc1)n1cccn1	819303050	TTXWHWXMSVDSAH-CYBMUJFWSA-N	316.361	1.198	50	20	DDGD	
O=C(Cc1cnccc1Cl)NNC(=O)c1ccccc1O	816830315	AKHQFUIJRCSTBZ-UHFFFAOYSA-N	305.721	1.444	50	20	DDGD	
CC(=NNC(=O)C(N)=O)c1sc(-c2ccc(F)cc2)nc1C	814697095	XYGUNZTWTMORNL-UHFFFAOYSA-N	320.349	1.583	50	20	DDGD	
CN(NC(=O)NCCN1C(=O)Cc2ccccc21)c1ccccc1	725875547	TVRCLRKBOJNQDW-UHFFFAOYSA-N	324.384	1.926	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C(=O)c2cccn2C)cc1	813576082	KRKDMRKVMUKWLC-UHFFFAOYSA-N	316.317	1.069	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H](O)c2ccc(Cl)cc2)n1	813397713	IGLWEFUHOPNECS-LBPRGKRZSA-N	306.753	1.924	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1c(Cl)nc(Cl)n1C	726876611	XJGGDNKWZCTLHO-VURMDHGXSA-N	317.176	1.787	50	20	DDGD	
CC(=O)N1c2ccccc2C[C@H]1C(=O)NNC(=O)C1CCCC1	726501496	BXZISTNEONEPCD-HNNXBMFYSA-N	315.373	1.302	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)COc1cccnc1	728075080	UYVUODWDWLPSRC-UHFFFAOYSA-N	313.357	1.631	50	20	DDGD	
COc1ccnc(NNC(=O)CCC[C@@H](O)c2ccccc2)n1	821482423	ZOOHRKWFTXUQOM-CYBMUJFWSA-N	316.361	1.832	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cnc(-c2ccccn2)s1	727675283	LIGNFNALCJIOKP-UHFFFAOYSA-N	305.363	1.558	50	20	DDGD	
C[C@@H]1CSCC1=NNC(=O)CCNC(=O)OC(C)(C)C	495612820	NXWBRXNUKPYRKP-SECBINFHSA-N	301.412	1.756	50	20	DDGD	
CCOc1nc2ccc(C(=O)NNC(=O)C3CCCC3)cc2[nH]1	825440668	BJCJMDVAAYOUQG-UHFFFAOYSA-N	316.361	1.913	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCC2(N(C)C)CC2)cc(C#N)n1C	490977838	UWODRIQZEZKPMA-AUWJEWJLSA-N	311.389	1.323	50	20	DDGD	
COC(=O)N(C)NC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C	496887949	YTSVMVODXPDTPZ-SNVBAGLBSA-N	315.370	1.505	50	20	DDGD	
COc1cccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1	826214194	DBNMLXOOBNFVGX-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
CCOCCOCCCC(=O)NNC(=O)NC1CCCC1	824342069	AFTUEURAOFPFLY-UHFFFAOYSA-N	301.387	1.093	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCCN2Cc3ccccc3C2)cn1	822758213	UWJGDMJOLRFWKC-CAOOACKPSA-N	321.384	1.459	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)/C=C\c1ccc(Cl)cc1	491629566	FBSYJEBDEDXOTP-DAXSKMNVSA-N	304.737	1.846	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)/C=C\C2CCOCC2)nc1	492826489	VFDQSODBNJOXGV-DJWKRKHSSA-N	305.334	1.294	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(-c2nccc(C)n2)cc1	491439093	CMZFOIVIHJILQE-UHFFFAOYSA-N	301.306	1.845	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(C)C[C@]1(O)CCc2ccccc21	491051808	UFEZTTOIOBVSLG-VWILAXROSA-N	300.358	1.723	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1	495408708	TUJYZGSGYYRVKW-UHFFFAOYSA-N	307.350	1.700	50	20	DDGD	
O=C(Cc1ccncc1)NN=Cc1ccc(-c2nn[nH]n2)s1	823115122	KEUYKMNVPZWIQK-UHFFFAOYSA-N	313.346	1.016	50	20	DDGD	
COc1cc(C(=O)NN(C)[C@H](C)CO)ccc1Br	823907534	MSGWNYCDRFFERP-MRVPVSSYSA-N	317.183	1.415	50	20	DDGD	
OB(O)c1cccc(CNCc2cc3c(s2)CCCC3)c1	585022573	RIDKDPNYHXQXOM-UHFFFAOYSA-N	301.220	1.597	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@]1(F)CCN(C(=O)OC(C)(C)C)C1	492969821	WGHBIAAZIQJITI-AWEZNQCLSA-N	317.361	1.139	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)/C=C\c1ccc[nH]1	491990007	LFRBCZMPBSVGJO-HJWRWDBZSA-N	315.329	1.263	50	20	DDGD	
O=C(/C=C/c1ccc(OC(F)F)cc1)N1CC[C@H](B(O)O)C1	585074889	OUZYIVHFQZCRSY-GQOHGMTASA-N	311.093	1.377	50	20	DDGD	
CCOC(=O)[C@H]1CCCN(CC(=O)NNc2ccccc2)C1	901163914	YCJZESYYCQAEQH-ZDUSSCGKSA-N	305.378	1.405	50	20	DDGD	
COc1ccccc1C(C)(C)CNCc1ccc(B(O)O)o1	585020612	DCWQJBHFKDPBBD-UHFFFAOYSA-N	303.167	1.035	50	20	DDGD	
CSCCNC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	726278410	FGBOCLQHHFYZGU-VIFPVBQESA-N	315.370	1.286	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)C1CCC(OC[C@H]2CCCO2)CC1	823922745	MQTMFJFSFAODQX-VXGQWTEUSA-N	314.426	1.085	50	20	DDGD	
CC(C)OC(=O)C(C)(C)NS(=O)(=O)CC(C)(C)CCl	908484589	JSCOJGSUHZAOGD-UHFFFAOYSA-N	313.847	1.901	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H](C)c1cccc(Br)c1	823888998	DXHVDFQFJKKGQG-JTQLQIEISA-N	315.211	1.898	50	20	DDGD	
CO[C@@H](C)c1nc(=NC(=O)NNC(=O)OC(C)(C)C)s[nH]1	496906614	GNAKMDBFEOQMHO-LURJTMIESA-N	317.371	1.229	50	20	DDGD	
Cc1cc(CC(=O)NN=C[C@@H](C)CNC(=O)OC(C)(C)C)n[nH]1	495902128	BFNKYFLTBGSQMW-JTQLQIEISA-N	323.397	1.523	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@H]1CCOC2(CCC2)C1	900386475	XCUZBHFDGPANSG-NSHDSACASA-N	307.350	1.459	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC(C)(C)CN2CCCC2)cn1	491176575	QHOUJTURNZOBRK-ZSOIEALJSA-N	301.394	1.318	50	20	DDGD	
COc1ccc(C=NNC(=O)CN(C)C)c2cc(C(=O)O)oc12	832281003	HQQAMHAKQKZGLZ-UHFFFAOYSA-N	319.317	1.151	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2CNCc3ccccc32)n1	830980886	LNALELIAMLJTOZ-CYBMUJFWSA-N	313.361	1.124	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc2c(c1)nc(O)n2C1CC1	831854462	WXSNEXZTXKQTGS-UHFFFAOYSA-N	317.349	1.383	50	20	DDGD	
N#Cc1ccc(CSCC(=O)NNC(=O)C2CCC2)cc1	732141326	GYSJOINWLZYYJD-UHFFFAOYSA-N	303.387	1.739	50	20	DDGD	
CCOCC(=O)NN=Cc1cc(OC)ccc1OC(F)F	732924836	LLBUTVASEWFCRT-UHFFFAOYSA-N	302.277	1.783	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1c(F)cccc1F	901967271	YPZDLRUAGMKVPL-UHFFFAOYSA-N	302.302	1.078	50	20	DDGD	
CS[C@H](c1nc(-c2ccc(B(O)O)cc2)no1)C(C)(C)C	585054468	MFROJUVGBONGHS-LLVKDONJSA-N	306.196	1.867	50	20	DDGD	
COCCN(CC(=O)NNC(=O)c1ccc(C)cc1)CC(C)C	733793426	BBMAGBGSNGIXDY-UHFFFAOYSA-N	321.421	1.360	50	20	DDGD	
COCC[C@H](C)NC(=O)NNc1ccc(F)c(C(=O)OC)c1	838118431	CRIDEIKGEMSMPP-VIFPVBQESA-N	313.329	1.663	50	20	DDGD	
C[C@@]1(C(=O)NCC(=O)N2CCCCC2)C[C@@H]1Br	906547672	FNSXCHQMYQVTKE-JOYOIKCWSA-N	303.200	1.289	50	20	DDGD	
O=C(NC[C@H]1CCCC1(F)F)NNc1nc2ccccn2n1	838673942	PEAXFDLNLLQZCH-SECBINFHSA-N	310.308	1.791	50	20	DDGD	
CCCCCCO[C@@H](C)C(=O)NNC(=O)Cc1cccnc1	839653736	DMODTVKWNDFSDJ-ZDUSSCGKSA-N	307.394	1.757	50	20	DDGD	
Cc1nc2c(C(=O)NN(C)C(=O)OC(C)(C)C)ccnc2[nH]1	838371975	FZDOZWDQNWEBDV-UHFFFAOYSA-N	305.338	1.778	50	20	DDGD	
CO[C@H]1C[C@@H](NC(=O)NNc2cncc(Cl)n2)C12CCC2	838766065	KHWBQEFDCJLVBB-BDAKNGLRSA-N	311.773	1.714	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)CC2CCOCC2)c1	735245929	ZGMMDQMXIDBBSB-UHFFFAOYSA-N	322.361	1.282	50	20	DDGD	
CC(C)[C@@H](C)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	733109717	BEQHZSVCAHZGAW-GFCCVEGCSA-N	300.362	1.925	50	20	DDGD	
CC(C)OCCC(=O)NNC(=O)Cc1c[nH]c2ccccc12	914749337	OGNJFRRFLPDFSJ-UHFFFAOYSA-N	303.362	1.673	50	20	DDGD	
C[C@]1(C(=O)N2CCN(C(=O)C3CC3)C2)C[C@@H]1Br	911193853	IKVBBXRNVQCXET-CABZTGNLSA-N	301.184	1.198	50	20	DDGD	
CCNC(=O)CC(=O)NNc1cc(F)ccc1Br	839879232	TYGMNHNJFFCEJW-UHFFFAOYSA-N	318.146	1.558	50	20	DDGD	
CC[C@@H]1CCC[C@H]1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	837852876	UAKDBVZVXJEEKA-YNEHKIRRSA-N	312.410	1.938	50	20	DDGD	
C[C@H]1CCCC[C@@H]1OCC(=O)NNc1ccc(C(=O)O)cn1	833611111	HVBDIIAVTFNGDM-JQWIXIFHSA-N	307.350	1.818	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H](Oc1ccccc1C#N)C(C)C	745136360	ZASNWHQPGMLLFN-CQSZACIVSA-N	318.377	1.700	50	20	DDGD	
O=C(NC[C@H]1CCS(=O)(=O)C1)NNc1ccc(F)c(F)c1	914008295	CVLGJEIXUVUMGJ-MRVPVSSYSA-N	319.333	1.026	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=S)NCC2CCC2)C1	912109093	DJRNATUKMVMLPM-BXKDBHETSA-N	321.450	1.371	50	20	DDGD	
COC(=O)[C@H](Cc1ccc(Cl)cc1)NNC(=O)CC1CC1	842151177	WTNJSLHTJNVRHM-ZDUSSCGKSA-N	310.781	1.845	50	20	DDGD	
Cc1ccc([C@@H]2COCCN2CC(=O)NNC(=O)C(C)(C)C)o1	744403177	MAQBCLIGDULWGP-LBPRGKRZSA-N	323.393	1.155	50	20	DDGD	
CSc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)ccc1F	843660828	LLBUDJQSERPMTK-WCBMZHEXSA-N	312.366	1.734	50	20	DDGD	
COc1ccc(NNC(=O)CN2Cc3ccccc3C2=O)cc1	746886988	OCYMNSHTMAOFGL-UHFFFAOYSA-N	311.341	1.794	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccnc(Cl)c1Cl	911504774	KOPTZKKHZJGCLT-BQBZGAKWSA-N	318.160	1.574	50	20	DDGD	
CC(C)(C)CCS(=O)(=O)NNC(=O)c1cccc(Cl)n1	849313162	XJGZYIJZJPIPGZ-UHFFFAOYSA-N	319.814	1.735	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2CCC(=O)C2)c1C	844127240	AUPBYFLVHCYFQV-NSHDSACASA-N	305.403	1.990	50	20	DDGD	
COC[C@@H](Cc1ccccc1)NC(=O)NNc1ccc(C)nn1	746781312	RSUSJYNLDGOWMA-CQSZACIVSA-N	315.377	1.669	50	20	DDGD	
N#Cc1ccc(NNC(=O)CSc2cccc[n+]2[O-])cc1	748114833	DUOWFSRLGLUONX-UHFFFAOYSA-N	300.343	1.427	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)c1ccccc1O)OCC1CC1	840427722	SUPQINZIVKIDST-UHFFFAOYSA-N	321.377	1.541	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)Cc2ccc(C#N)cc2)n[nH]1	847626428	MPNZPMOFQVBMQI-SNVBAGLBSA-N	311.345	1.230	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)c1)N[C@H]1CCCNCC1	841977878	LNNNRHVPKADMHC-LBPRGKRZSA-N	310.785	1.426	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1cccc2c1CCCC2	748640024	LPUADWVHMRIBJL-UHFFFAOYSA-N	310.419	1.921	50	20	DDGD	
C[C@H]1CC(C)(C)CCC1=NNC(=O)[C@H](C)NS(C)(=O)=O	748252592	VXGYBPAELFPBEK-UWVGGRQHSA-N	303.428	1.243	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)C(C)(C)C#N)cc1	918321021	KGZMLZLTVRYDPB-UHFFFAOYSA-N	306.391	1.953	50	20	DDGD	
CCn1ccc(CC(=O)NNC(=O)NCCc2cccs2)n1	845299249	YFIYROALEBVQRE-UHFFFAOYSA-N	321.406	1.080	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)N[C@@H](C)C1CC1	915928193	VAXGERAWIGLEGG-NSHDSACASA-N	305.378	1.757	50	20	DDGD	
CCc1ccc(O)c(C(=O)NNc2ccnc(N(C)C)n2)c1	740102956	JHCDKWMFDCYTIU-UHFFFAOYSA-N	301.350	1.568	50	20	DDGD	
O=C(Cc1cc(F)cc2c1OCOC2)NNc1ncccn1	913043988	HJXYIDTVKCCTPG-UHFFFAOYSA-N	304.281	1.168	50	20	DDGD	
CC(C)(C)N1C[C@H](C(=O)NNc2ccc(Cl)nc2)CC1=O	743818386	VZWSTTUPPOPEIZ-SECBINFHSA-N	310.785	1.825	50	20	DDGD	
COC(=O)/C=C/c1ccc(/C=C(/C#N)S(=O)(=O)NC2CC2)o1	848642197	SHPCAOACGGKWJX-ZLXMBHDQSA-N	322.342	1.412	50	20	DDGD	
O=C(COc1ccc(F)cc1)NN=C1COc2cc(O)ccc21	915949816	RMNUYDDZQATWQD-UHFFFAOYSA-N	316.288	1.823	50	20	DDGD	
COCC[C@@H](C)NC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	743576495	DKTMOODCZGVKGV-LLVKDONJSA-N	323.397	1.513	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)cc1	746887513	UBECVCPSLVNDIS-LBPRGKRZSA-N	305.378	1.643	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1ccc(Cl)s1	843648099	VWAJLJLCFVFQMJ-WPRPVWTQSA-N	316.810	1.907	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNC(=O)COc1cccc(C)c1	841376315	RXBOZVAOOSFELZ-AWEZNQCLSA-N	308.378	1.582	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(-n2cccn2)cc1	920213764	OYFMJUBNDNXYHB-UHFFFAOYSA-N	301.375	1.167	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H](C)Cc1ccc(C#N)cc1	847285521	NITGFSATADNATF-NSHDSACASA-N	302.403	1.418	50	20	DDGD	
C[C@@H]1CCCc2ncc(C(=O)NNc3ncccc3[N+](=O)[O-])n21	846639836	ULMXACHIIJBKLD-SECBINFHSA-N	316.321	1.841	50	20	DDGD	
COC(=O)c1ccc(O)c(C=NNC(=O)[C@@H]2CCO[C@H]2C)c1	842554657	KHKDHNWSLPKABQ-JOYOIKCWSA-N	306.318	1.054	50	20	DDGD	
CS[C@H](C)CNC(=O)NNc1ccccc1S(C)(=O)=O	752224958	NVNOWYQTMXSXNW-SECBINFHSA-N	317.436	1.468	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1csc(-c2ccc(C)n2C)n1	854923441	VXMNOMGANFXGCY-UHFFFAOYSA-N	323.447	1.538	50	20	DDGD	
O=C(NCCCOC1CCCCC1)NNC(=O)c1cn[nH]c1	858104689	TXANOAUGPVLHPN-UHFFFAOYSA-N	309.370	1.093	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cc(Br)cnc1F	858865657	LKCKYRLEXKQWJT-UHFFFAOYSA-N	319.134	1.336	50	20	DDGD	
Cn1cc(NC(=O)NNC(=O)Cc2c[nH]c3ccccc23)cn1	755494606	ZHOHBXANPJSPAA-UHFFFAOYSA-N	312.333	1.297	50	20	DDGD	
COC(=O)C1CCC(=NNC(=O)Cn2nc(C)cc2C)CC1	754914275	RYCQXHDZKYZTSG-UHFFFAOYSA-N	306.366	1.335	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)N[C@H](C)C2CC2)c(C)c1	751617097	GYQMDARNYYKNQI-SNVBAGLBSA-N	307.419	1.911	50	20	DDGD	
C[C@@H]1COC[C@@H]1NC(=O)NNC(=O)c1ccc2ccccc2n1	925987518	JXKKUQSZFPOOFV-YGRLFVJLSA-N	314.345	1.214	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(Cl)cs1	758011091	PKJHBCBISKUOTF-UHFFFAOYSA-N	309.869	1.873	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1cccc(Cl)c1)n1ccnc1	920451906	WHUOXYVWMDFHJF-SNVBAGLBSA-N	306.753	1.949	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2C[C@@H](C)n3ccnc32)c1	858519781	LDXIXNNPTLFCEF-NXEZZACHSA-N	319.390	1.903	50	20	DDGD	
CC(C)[C@H]1C[C@@H](c2nc(-c3cccc(B(O)O)c3)no2)CCO1	924145731	KHBIYAJGQNZXEE-GXTWGEPZSA-N	316.166	1.335	50	20	DDGD	
COCCN(C)NC(=O)[C@H](C(=O)OC(C)(C)C)C1CCCC1	854409805	MIFRPGQHJOIFLZ-CYBMUJFWSA-N	314.426	1.744	50	20	DDGD	
C[C@H]1CC/C(=C\C(=O)NNC(=O)COc2ccccc2O)C1	753609055	RZYVKJKGRZFQRZ-UTEVDWOZSA-N	304.346	1.665	50	20	DDGD	
CCOC(=O)[C@@H](CC(=O)NNc1ccnc(Cl)c1)C(C)=O	855466095	GLOURTNSGZDOGW-JTQLQIEISA-N	313.741	1.337	50	20	DDGD	
CC[C@H](C)CC[C@H](O)CC(=O)NNC(=S)NCC1CCC1	855089941	MSRVEWKZTSTVEN-AAEUAGOBSA-N	315.483	1.859	50	20	DDGD	
COC(=O)[C@@H](C)n1cccc1C=NNC(=O)OCC(F)(F)F	853429974	UVDILCLOUOOHMS-MRVPVSSYSA-N	321.255	1.845	50	20	DDGD	
COCCn1cc(C(=O)NNc2cnnn2C)c2ccccc21	857271612	RNCATYMJTPFUGC-UHFFFAOYSA-N	314.349	1.173	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc(C#N)c(O)c1)C1CC1	855100098	ULPPZASBFIYVQG-MRVPVSSYSA-N	304.375	1.171	50	20	DDGD	
C[C@@]1(CNC(=O)NCC(F)(F)CO)C[C@@H]1Br	856952978	NIVUQJKRWLEQMD-XPUUQOCRSA-N	301.131	1.087	50	20	DDGD	
Cc1cc(C#N)cnc1C(=O)NNC(=S)N[C@@H](C)C1CC1	855097751	XJBWDQPQIVNKTI-VIFPVBQESA-N	303.391	1.169	50	20	DDGD	
COC(=O)C[C@@H]1CCC(=NNC(=O)c2cccc(F)n2)[C@H]1C	853444918	UFESKNRDMXMNDJ-UWVGGRQHSA-N	307.325	1.916	50	20	DDGD	
CC1=NO[C@H](C(=O)NNC(=O)CSc2ccc(C)cc2)C1	854235286	PAXAIHOIUSNCGH-LBPRGKRZSA-N	307.375	1.399	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@H](C)c1ccco1	859812626	TZUKCZNSWKYTRW-NWDGAFQWSA-N	324.377	1.898	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N(C)Cc2cnc[nH]2)cc(C#N)n1C	855134456	OWMZTEKLYXYJQS-YIXHJXPBSA-N	308.345	1.494	50	20	DDGD	
O=C(CCOCC(F)(F)F)NNC(=O)OCC(F)(F)F	856025515	RUNMXKYFRCJNGA-UHFFFAOYSA-N	312.166	1.275	50	20	DDGD	
Nc1cc(C(=O)NN=Cc2cnc3ccccn23)cc([N+](=O)[O-])c1	755563973	HWWIYEUNJLSOMS-UHFFFAOYSA-N	324.300	1.589	50	20	DDGD	
COCCN(C)NC(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C	854410514	ZEYVHNVRQLXOCM-LLVKDONJSA-N	302.415	1.600	50	20	DDGD	
C[C@@H]1C[C@H](CN)CN1C(=O)NC[C@@]1(C)C[C@H]1Br	857105531	MVJVGUBAPCZIDF-DNRKLUKYSA-N	304.232	1.539	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)nc1)C(=O)Nc1ccccn1	758382441	WRWSTJWYOYITTN-UHFFFAOYSA-N	303.709	1.219	50	20	DDGD	
CCOC(=O)[C@H](CC(=O)NNc1ccc(Cl)cn1)C(C)=O	856091770	JKBMIJOGVALECR-SNVBAGLBSA-N	313.741	1.337	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cccc2nc[nH]c12	863097184	DWLMGFWUOYSTAE-UHFFFAOYSA-N	308.210	1.995	50	20	DDGD	
CN(CC(=O)NNc1ccccc1S(C)(=O)=O)C1CCC1	863869262	KHRFXIDOFNFMCS-UHFFFAOYSA-N	311.407	1.018	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NNc1nc(O)c2ccccc2n1	863895842	XASJRDYNMLWSSB-GHMZBOCLSA-N	324.344	1.316	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)C[C@H]1CCCC(=O)N1	862289168	WMTCEYFRODKGTQ-CYBMUJFWSA-N	319.361	1.345	50	20	DDGD	
COCCOC[C@H](C)NC(=O)[C@@H](Br)C(C)(C)C	768188939	WFHMBZRYOAHIEK-VHSXEESVSA-N	310.232	1.964	50	20	DDGD	
Cc1cc(Cl)cc2c1OCCC2=NNC(=O)[C@@H]1CCC(=O)N1	863146600	XOSXUMPRDOEEHJ-LBPRGKRZSA-N	321.764	1.530	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=Cc1ccc(F)cc1	864323875	XRADBRITKZFRGP-UHFFFAOYSA-N	300.293	1.101	50	20	DDGD	
O=C(CCCOC1CCOCC1)NNC(=O)NC1CCCC1	865038171	JEHVZPOYYXRVDQ-UHFFFAOYSA-N	313.398	1.235	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ncc(Br)s1	765476660	ONBRPOVULCKHCO-UHFFFAOYSA-N	318.131	1.592	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCSC1)c1ccc(Cl)cc1F	762188240	XMQDSDMXRCUYTA-SSDOTTSWSA-N	302.758	1.993	50	20	DDGD	
Cc1cccc(NNC(=O)C(=O)Nc2cc(C)n(C(C)C)n2)n1	861961095	XCSKGRXHBADQLF-UHFFFAOYSA-N	316.365	1.558	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H](C)OC[C@H]2CCCO2)c1	862477711	MUQAHVKIPVJFHG-WDEREUQCSA-N	312.391	1.402	50	20	DDGD	
CCCNC(=O)NNC(=O)c1csc(Nc2ccccn2)n1	1116096024	YXTDAFANJAIPDZ-UHFFFAOYSA-N	320.378	1.636	50	20	DDGD	
C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NNC(=O)c1cn[nH]c1	1118863938	HDAUMWSTHGUXRK-JQWIXIFHSA-N	307.398	1.911	50	20	DDGD	
CC(C)c1cc(NC(=O)C(=O)NNC(=O)C2CCCC2)no1	764069643	ZQLKEUJWOIAKPE-UHFFFAOYSA-N	308.338	1.074	50	20	DDGD	
COc1cc(C#N)ccc1NC(=O)NNC(=O)CC(F)(F)F	766252554	UDNXULHEFDFLSN-UHFFFAOYSA-N	316.239	1.672	50	20	DDGD	
COc1ccc(F)cc1NC(=O)NNc1nccnc1OC	764678053	ZWUZPESHOHEEIE-UHFFFAOYSA-N	307.285	1.782	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2ncnc3ccsc23)CC1=O	766676086	GBZBPUVYSMOGKY-MRVPVSSYSA-N	305.363	1.003	50	20	DDGD	
Cc1ccccc1C(=O)NN=Cc1cn(C[C@H]2CCCO2)nn1	872337294	ZAGRLXPLMVHEPI-CQSZACIVSA-N	313.361	1.529	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H](C)Sc1nncn1C	772877462	RGGRLHCGTNLWPN-VIFPVBQESA-N	321.410	1.352	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)NC(C)C)c(C)c1OC	1117193973	NHKUMIHJFNCYHT-UHFFFAOYSA-N	311.407	1.530	50	20	DDGD	
COC[C@H](C)n1ccc(NC(=O)C(=O)NNc2ccccc2)n1	778694282	ZCIVLCKFAIVQCM-NSHDSACASA-N	317.349	1.172	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)Cn2ccc3ccccc32)CCO1	776320771	FGVCRNCXFAXGFL-TZMCWYRMSA-N	315.373	1.604	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)COCC1CC1	873767938	RZDAZSBNEJFFLH-UHFFFAOYSA-N	309.391	1.439	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(C)nc1Br	878979652	ZXIKFDFNOHIZRR-UHFFFAOYSA-N	317.187	1.767	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)COc1ccccc1	771883181	SCKYJLMALSULPD-GFCCVEGCSA-N	322.361	1.191	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)Nc1ccc2[nH]ccc2c1	878524539	QETQVNHMGIJHLZ-UHFFFAOYSA-N	302.334	1.747	50	20	DDGD	
CSC1(C(=O)NNC(=S)Nc2ccc(N(C)C)cc2)CC1	874953106	RUQZRYDZZLSTJZ-UHFFFAOYSA-N	324.475	1.966	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN[C@@H](c2ccc(OC)cc2)C1	870142509	KZOOJSZFBPWDEV-WCRPCQDQSA-N	315.373	1.612	50	20	DDGD	
COC(=O)C(=O)NN=Cc1cc(Cl)ccc1OCC1CC1	1116898413	PCGSQCOKOODOEV-UHFFFAOYSA-N	310.737	1.752	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21	887140441	DXXBICAEHSAFFZ-GFCCVEGCSA-N	317.320	1.202	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cnc(C(F)(F)F)nc1	777780814	HIXIOFBUWOXKPL-UHFFFAOYSA-N	316.161	1.209	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cncc(-c2cnn(C)c2)c1	887143053	JUFASIRMUTWPGR-UHFFFAOYSA-N	311.345	1.047	50	20	DDGD	
O[C@@H](Cc1cn(/C=C/CBr)nn1)c1ccccn1	881294760	CBUSIWZGXPXRDI-QBODLPLBSA-N	309.167	1.815	50	20	DDGD	
COC(=O)[C@H]1CCCC[C@]1(C)NS(=O)(=O)CCCCl	882019656	QBQPETARPZMNPB-PWSUYJOCSA-N	311.831	1.657	50	20	DDGD	
CC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)C1CCOCC1	883315971	GCWJIELMGIDBTG-HNNXBMFYSA-N	319.405	1.765	50	20	DDGD	
CO[C@]1(C)C[C@@H](NC(=O)NNc2ccc(C#N)cn2)C1(C)C	888448414	PQIMUUZTRZTSID-IAQYHMDHSA-N	303.366	1.783	50	20	DDGD	
CCn1ncc(Br)c1C(=O)NNC(=O)NC(C)C	1123632094	YORGOOWLWOVSJU-UHFFFAOYSA-N	318.175	1.018	50	20	DDGD	
CC(C)/C=C\c1cn([C@@H](C)C(=O)NNC(=O)CC(C)C)nn1	881291428	PPCPNXZRDGTBJK-DGMVEKRQSA-N	307.398	1.702	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCc1cccc(OC)c1OC	887139422	OGLVFKYVXLSUMS-UHFFFAOYSA-N	318.373	1.587	50	20	DDGD	
CNC(=O)NNC(=S)Nc1ccc(Br)cc1	783731736	JDCJOBVVFRRBJO-UHFFFAOYSA-N	303.185	1.580	50	20	DDGD	
CC[C@@H](C)n1nccc1C(=O)NNC(=S)NCC1CCC1	1123833139	XDFGZPXLRFLQIA-SNVBAGLBSA-N	309.439	1.763	50	20	DDGD	
CO[C@H](C)CCC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	782289554	KKUXHWHFRPHCEJ-GFCCVEGCSA-N	316.361	1.448	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H](C)CN2CCOCC2)cc(Cl)n1	788703237	ZWVRRRFVXKFSGV-LLVKDONJSA-N	324.812	1.462	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1nn(-c2ccc(Cl)cc2)cc1O	788842755	ZFUWNUYBCLPUPW-UHFFFAOYSA-N	322.752	1.648	50	20	DDGD	
C[C@@H]1CCc2[nH]nc(C(=O)NNc3ncc(Cl)cn3)c2C1	899041549	IERGKUNWTRXPDI-SSDOTTSWSA-N	306.757	1.735	50	20	DDGD	
CC(C)(O)C(=O)NN=C1CCc2c(Br)cccc21	785463178	MRMYXGUXOITETE-UHFFFAOYSA-N	311.179	1.987	50	20	DDGD	
Cc1nn(C(F)F)c(C)c1CC(=O)NNc1ccc(C#N)cn1	899664201	UWDVPPHMUXAHCD-UHFFFAOYSA-N	320.303	1.848	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C[C@@H]2NC(=O)c3ccccc32)n1	895557730	QTMVWGCDJNRUGE-ZDUSSCGKSA-N	311.345	1.411	50	20	DDGD	
CCCC(=O)N1CCC[C@H]1C(=O)NNc1ncncc1Cl	781812527	GFLUIEXBGPLVKJ-JTQLQIEISA-N	311.773	1.364	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCCn1cnc2ccccc2c1=O	786673481	HNLSFOZOVTZOJD-LCYFTJDESA-N	309.325	1.800	50	20	DDGD	
CCn1cc(CC(=O)NNc2ccnc(Br)c2)cn1	781030308	WYTYYLWOTRVRTH-UHFFFAOYSA-N	324.182	1.746	50	20	DDGD	
NCC12CCC(CC1)N2C(=O)NNC(=O)c1ccc(Cl)cc1	892474338	ICDMHZNNZYALQG-UHFFFAOYSA-N	322.796	1.650	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(F)cc2)CC(C)(C)C1	784345301	APFCAYUOTIXSJP-LBPRGKRZSA-N	321.396	1.955	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNc1cccc(S(C)(=O)=O)c1	793778395	BUDKIDCCXZEUEA-ZWNOBZJWSA-N	314.407	1.594	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41)c1ccccc1	792775349	KNGBEEQHYZRAQJ-RDOWXWMNSA-N	308.381	1.842	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2cn(C)nc2OC)ccc1C	899138128	KHWVHHTZCSQAKG-UHFFFAOYSA-N	318.333	1.281	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)C(=O)Nc2cncc(F)c2)c1	799260858	BWFIUVTWORFJFR-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)Cc2ccccc2F)ccc1F	790463830	GYYHAPRFOJGHCX-UHFFFAOYSA-N	315.279	1.840	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1ccc(N)c([N+](=O)[O-])c1	799111865	WWYWUCGJLLNZGE-JTQLQIEISA-N	324.337	1.069	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=S)Nc2ccsc2)n1	790304323	VRVYNXJCVBATIC-UHFFFAOYSA-N	309.420	1.579	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNc1ccccc1S(C)(=O)=O	795093234	PNDRFCDRHPWWHU-CYBMUJFWSA-N	300.380	1.348	50	20	DDGD	
O=C(NNC(=O)c1cc2nccnc2cc1F)c1ccncc1	792004145	FUSKPRQSQYPTRX-UHFFFAOYSA-N	311.276	1.239	50	20	DDGD	
Cc1noc([C@@H]2CCCN2[C@@H](C)C(=O)NNC(=O)CC(C)C)n1	796696539	SJWWLSJTGGEHBO-JQWIXIFHSA-N	323.397	1.097	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H](O)Cc1ccccc1	793775742	ALHPRZRFYZJGEG-HNNXBMFYSA-N	314.341	1.520	50	20	DDGD	
Cc1nn(-c2ccccc2)c(N)c1C=NNC(=O)c1cnccn1	794889405	WRQGWTRMFBOQDD-UHFFFAOYSA-N	321.344	1.317	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1ccc2c(c1)OCCO2	797395320	PAKCRUOLTQKQHX-UHFFFAOYSA-N	317.301	1.195	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccnn1-c1ccccc1C	794498956	HGICCQOGXDYERK-UHFFFAOYSA-N	315.377	1.850	50	20	DDGD	
COC(=O)C(=O)NN=C1CCCC[C@H]1N1C[C@@H](C)C[C@@H](C)C1	1318984038	MLDZQBROLMRRHN-MBNYWOFBSA-N	309.410	1.552	50	20	DDGD	
COc1nccnc1NNC(=O)C1(c2cccc(C#N)c2)CC1	1320241523	DFFLWUKSACFLMA-UHFFFAOYSA-N	309.329	1.532	50	20	DDGD	
Cc1conc1NC(=O)NNC(=O)c1ccc2c(c1)OCCO2	1320138816	YFYCNVNKWVUNBB-UHFFFAOYSA-N	318.289	1.221	50	20	DDGD	
COc1cc(C(=O)NNc2cccnn2)c([N+](=O)[O-])cc1OC	1320052964	GXAXAKFWBDXALR-UHFFFAOYSA-N	319.277	1.159	50	20	DDGD	
O=C(NNc1cncc(Br)c1)[C@]1(O)CCSC1	1324643029	TWQFXUYZRTZAPW-JTQLQIEISA-N	318.196	1.155	50	20	DDGD	
O=C(NNC(=O)N1CCCOCC1)c1cc2ccccc2o1	1328122658	SXOOBKCITVTUCA-UHFFFAOYSA-N	303.318	1.510	50	20	DDGD	
COCCC(=NNC(=O)C[n+]1ccccc1)c1ccc(F)cc1	1325012616	SLAOOTYPLNMGCN-UHFFFAOYSA-O	316.356	1.670	50	20	DDGD	
CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)CCl	1336909798	FQBVEHKRGCGAQR-GFCCVEGCSA-N	304.818	1.491	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=O)Cc2ccccc2F)c1C	1336342290	TXSXTWJLGWILMT-UHFFFAOYSA-N	318.352	1.744	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H]1F)c1ccc(Br)cc1	1339503299	VPTKAHGVUBMXSP-IUCAKERBSA-N	301.115	1.568	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1c(C)cc(Cl)cc1C	1342654567	WTGBMSNSYZZYDY-UHFFFAOYSA-N	313.741	1.673	50	20	DDGD	
C[C@@H](O)CN1CCN(C(=O)C2CCC(Cl)CC2)[C@H](C)C1	1346592782	YGBMTKOBTMRQQT-IWMBGFJWSA-N	302.846	1.698	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NCCC(F)F	1352004962	OPFWLCSSCMYHCW-UHFFFAOYSA-N	315.320	1.613	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCCC[C@H]1CN1CCCC1=O	1520379688	CAVUXWJXXTVZED-DINCDJDBSA-N	305.378	1.434	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)Nc1sccc1-c1nn[nH]n1	1603270163	DCMMJCLWKLHQCM-UHFFFAOYSA-N	323.382	1.517	50	20	DDGD	
CC(=O)NNC(=O)N[C@]1(C(F)(F)F)CCc2ccccc21	1526906143	OBFYYHZENXVRPJ-GFCCVEGCSA-N	301.268	1.741	50	20	DDGD	
O=C(Cc1ccc2c(c1)OCO2)NNc1cccc(C(=O)O)c1	1601363847	XPQRVWDHCLQUBM-UHFFFAOYSA-N	314.297	1.799	50	20	DDGD	
CSSCCNC(=O)c1cc(C)c(-c2nn[nH]n2)cn1	1609371935	DXJDUVPMJSIZJR-UHFFFAOYSA-N	310.408	1.311	50	20	DDGD	
N#C[C@H]1C[C@H]1C(=O)NNc1cc(C(=O)O)ccc1Br	1601079810	NMRRXDYUPDBBHE-HTQZYQBOSA-N	324.134	1.750	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)C1(CF)CCOCC1	1602230740	NTODYBFUFBCIPL-UHFFFAOYSA-N	314.288	1.733	50	20	DDGD	
C=C(C)C[C@H](C)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	1609051271	UMQYKORQBJRKLF-QMMMGPOBSA-N	321.772	1.961	50	20	DDGD	
O=C(O)CC1CC(=NNC(=O)Nc2ccc(C(=O)O)cc2)C1	1601939592	DNKXNUZUFYIAPW-UHFFFAOYSA-N	305.290	1.747	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCO[C@H]1c1nccn1C)c1ccc[nH]1	1549308888	JYLWQDSGLCDDQO-GXTWGEPZSA-N	315.377	1.756	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cc(C(=O)O)cs2)n1	1610369939	OXMUGLMDNZNCSO-UHFFFAOYSA-N	309.307	1.394	50	20	DDGD	
O=C(CNc1ccccc1F)NN=Cc1ccc(C(=O)O)o1	1610665753	MKAULXMJAWMSJS-UHFFFAOYSA-N	305.265	1.679	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H](N)CC(C)C)c1	1579672467	CRABADVFLOLJPW-LBPRGKRZSA-N	308.451	1.994	50	20	DDGD	
COC[C@@]1(C(=O)NNc2cc(F)cc(F)c2F)CCCCN1	1578976509	ALWNGJGWONZRHF-CQSZACIVSA-N	317.311	1.706	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)/C=C\c1ccc(C(=O)O)o1)C1CC1	1589121379	KEVVVHDHUDBXQT-GRKOMRHMSA-N	323.374	1.285	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H](O)C(C)C)C1	1841422155	FQBSUIOSMBIHPV-VXGBXAGGSA-N	316.829	1.224	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCC(=O)C(=O)O)cc1	1592426523	UBOILSFHTCLTEK-YRNVUSSQSA-N	303.270	1.189	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O	1596859565	DRSMGTKWBBBQKZ-UELRPHRMSA-N	300.314	1.468	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccc(F)c(C(=O)O)c1)n1ccnc1	1592252885	PXKDOTJHDKEQDD-VIFPVBQESA-N	306.297	1.815	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@]12C[C@H]1COC2(C)C	1599375911	IBPGKTXGOCGOQA-QFYYESIMSA-N	320.345	1.652	50	20	DDGD	
COCc1cncc(C(=O)NNc2ccc(C(=O)O)c(F)c2)c1	1599298565	IGOWUWKKILEUIK-UHFFFAOYSA-N	319.292	1.822	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)c1cnn(C)n1	1776045487	NNLCZZADEUYMJY-UHFFFAOYSA-N	302.294	1.059	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc(OC)c(C(=O)O)c1	1776129567	NUYKKTMRAQDVLV-WQLSENKSSA-N	318.329	1.453	50	20	DDGD	
O=C(NN=Cc1sc(Cl)cc1C(=O)O)c1cnsn1	1776105255	VIYRGTYUUOYDFB-UHFFFAOYSA-N	316.751	1.715	50	20	DDGD	
C[C@H](Oc1ccc(C=NNC(=O)c2ccon2)cc1)C(=O)O	1776105784	FCMICKSSDCMBBZ-VIFPVBQESA-N	303.274	1.290	50	20	DDGD	
C[C@H]1C[C@H](C(=O)O)CCC1=NNC(=O)c1ccc(C(=O)O)cc1	1776101140	SMURRQWVYYSJPX-JOYOIKCWSA-N	318.329	1.991	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2)cc1	5531873	RLOHVUYKBNFDMK-GFCCVEGCSA-N	314.341	1.924	50	20	DDGD	
N#CC(C#N)=CNc1cccc(S(=O)(=O)N2CCCC2)c1	15240586	BCWIXWMCODNDHT-UHFFFAOYSA-N	302.359	1.814	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NNC(=O)OC)c1C	158773194	ZIOIAODLZHBKMX-JYRVWZFOSA-N	304.350	1.809	50	20	DDGD	
CO[C@@H](C)CC(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	151099278	RNXBTRHRWKUXPC-QMMMGPOBSA-N	308.363	1.324	50	20	DDGD	
CC(C)C[C@H](C(=O)NNC(=O)c1ccc[nH]1)N1CCCCC1=O	151549493	ADBVFUGVFYMOJP-CYBMUJFWSA-N	320.393	1.203	50	20	DDGD	
CN(CC(=O)NNc1ncccc1[N+](=O)[O-])c1ccccc1	152729162	PVTCPEZOPYHKHX-UHFFFAOYSA-N	301.306	1.569	50	20	DDGD	
Nc1nccnc1C(=O)NNc1nc(C(F)(F)F)cs1	153005334	PKAGRUHNJBZZLC-UHFFFAOYSA-N	304.257	1.291	50	20	DDGD	
CN(C)Cc1cccc(C(=O)NNC(=O)c2cccc(C#N)c2)c1	156225156	LCFLPBVAHCPFCH-UHFFFAOYSA-N	322.368	1.695	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NNC(=O)c2ccc[nH]2)C1	159158923	JKKNSLXBGZKCKZ-RYUDHWBXSA-N	320.393	1.060	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cc(F)ccc1Cl	103058757	VXBQXHFIORVIPQ-ZETCQYMHSA-N	308.762	1.835	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H]2C[C@@H]2C2CC2)c1	177610573	XCOUZIWIAFUJEL-ZIAGYGMSSA-N	302.374	1.876	50	20	DDGD	
COCCCC(=O)NNC(=O)Cc1ccc2ccccc2c1	53607547	HRYIAMWSIFYCOR-UHFFFAOYSA-N	300.358	1.956	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2N)o1	176211343	JATQOPHPCKIYOX-UHFFFAOYSA-N	304.262	1.153	50	20	DDGD	
CC(C)NC(=O)NNC(=O)COc1ccc(C(F)(F)F)cc1	63268890	NJXOEXRHBQSPRM-UHFFFAOYSA-N	319.283	1.823	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@@H]2C[C@@H]2C)ccc1OC(C)C	24301132	RTINKOVOZZDDFE-CMPLNLGQSA-N	306.362	1.899	50	20	DDGD	
C[C@@H]1SCCN(C(=O)NNC(=O)c2ccc(C#N)cc2)[C@H]1C	118476975	LYFUXEADSSIPPN-QWRGUYRKSA-N	318.402	1.738	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1nccc(C(F)(F)F)n1	110103956	ZTQXECAVUXEINK-ZCFIWIBFSA-N	322.312	1.533	50	20	DDGD	
CCN(CC)c1ccc(CNC(=O)NNc2ncccn2)cn1	124429054	QTJZLBBZBVQCKH-UHFFFAOYSA-N	315.381	1.544	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C1=CCCCCC1	185203624	HZINIINVSIDEIC-HNNXBMFYSA-N	316.357	1.864	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)c2ccccc2O)c(C)o1	182768999	ASBYYFKZIDWMCZ-UHFFFAOYSA-N	310.331	1.225	50	20	DDGD	
O=C(C[C@H]1C=CCCC1)NNc1nccc(N2CCOCC2)n1	188432902	NGCVKGXUILHWMO-ZDUSSCGKSA-N	317.393	1.503	50	20	DDGD	
Cc1ccc([C@@H](CNC(=O)NNC(=O)C(C)(C)C)N(C)C)cc1	128958693	GTXNJUXJZHJUGS-CQSZACIVSA-N	320.437	1.974	50	20	DDGD	
C=C(C)CN(CC)CC(=O)NNC(=O)c1ccccc1Cl	78514892	KVOBACFHNNHKNW-UHFFFAOYSA-N	309.797	1.999	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cccc(N(C)C)c2)n1	31578131	FTKKOXMHKOAPGW-UHFFFAOYSA-N	315.377	1.027	50	20	DDGD	
O=C(NNC(=O)c1cccc2ncccc12)c1ccc(F)cn1	184275389	XSSATPJWMCPHIW-UHFFFAOYSA-N	310.288	1.844	50	20	DDGD	
CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NNc1ccncc1	183021536	GPNSXZNXBLMOPV-LLVKDONJSA-N	308.407	1.472	50	20	DDGD	
CCc1ccccc1CC(=O)NNC(=O)NCc1ccco1	188383862	JPMWPQVJZZWILA-UHFFFAOYSA-N	301.346	1.915	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)Cn1nc(C)cc1C	79541649	IGVFQOMDOPITEH-KGLIPLIRSA-N	321.425	1.799	50	20	DDGD	
O=C(C[C@H]1OC(=O)c2ccccc21)NNC(=O)c1ccccc1	45051717	SOCYFPWJWSRTFT-CQSZACIVSA-N	310.309	1.749	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1ccc(C(F)(F)F)cn1	132184502	VEPDGCGBICUGCI-VIFPVBQESA-N	321.299	1.985	50	20	DDGD	
O=C(NNc1ncccn1)c1cccnc1OCC(F)(F)F	43747280	IBDVFZGUOSHUDR-UHFFFAOYSA-N	313.239	1.570	50	20	DDGD	
CC[C@H](C)Oc1cc(CNC(=O)NNc2cccnn2)ccn1	180688791	UEYPJHOFLGEEEP-NSHDSACASA-N	316.365	1.875	50	20	DDGD	
C[C@H](CO[C@H]1CCOC1)NC(=O)NNc1cccc(C#N)c1	131170268	HUNRFSKEEWYZJI-RISCZKNCSA-N	304.350	1.378	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)NCCc2cccs2)on1	49087607	CWPHQNFDSDJZJG-UHFFFAOYSA-N	310.404	1.396	50	20	DDGD	
Cc1cc(NC(=O)CN(C)C[C@@H](C)CBr)no1	133598963	RBPIFGUZABUSNP-QMMMGPOBSA-N	304.188	1.884	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N2CCOCC2)c(C)n1C1CC1	194900323	GASKMKKMQANYHX-UHFFFAOYSA-N	306.366	1.126	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNC(=O)c1ccc(C)s1	49094986	TXGCNNVKUBZSDU-JTQLQIEISA-N	300.380	1.259	50	20	DDGD	
O=C(NCc1ccccn1)NNC(=O)c1ccc(Cl)cc1	194528447	RMWMIDVNVQYZGT-UHFFFAOYSA-N	304.737	1.879	50	20	DDGD	
O=C(C[C@@H]1CCCCO1)NNC(=O)c1c[nH]c2ccccc12	87003950	DPWAAEHDIARJDK-NSHDSACASA-N	301.346	1.888	50	20	DDGD	
Cc1oc(-c2ccccc2)nc1CC(=O)NNC(=O)N(C)C	194924114	DYMBROUQTHJOFB-UHFFFAOYSA-N	302.334	1.495	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccccc1OC(F)F	195443494	JQXBBMFNSUQZAV-QMMMGPOBSA-N	322.333	1.644	50	20	DDGD	
CO[C@H]1CCN(S(=O)(=O)c2ccc(CCCl)cc2)C1	234925171	OUALSELOOIPUJN-LBPRGKRZSA-N	303.811	1.877	50	20	DDGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1COCCO1	264921818	SHPKJNVZFNGLBL-JTQLQIEISA-N	324.724	1.249	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)C1CCSCC1	266939625	PRZISJYLOXPAGZ-UHFFFAOYSA-N	318.402	1.167	50	20	DDGD	
CCOc1ccccc1C(F)(F)C(=O)NNC(=O)NC1CC1	269845442	AYRZLGAVDJKZLX-UHFFFAOYSA-N	313.304	1.670	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCn2cncc2C1)c1cccc(Cl)c1	363104858	NWUGMWOWTHUUPS-NSHDSACASA-N	318.764	1.560	50	20	DDGD	
O=C(NNc1ccccn1)Nc1ccn(-c2ncccc2F)n1	361054254	UOPPKLGLIJAWPL-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
O=C(NCCc1cn2c(n1)CCCC2)NNc1cccc(F)n1	367754474	WBIKPWUYBYXJGS-UHFFFAOYSA-N	318.356	1.622	50	20	DDGD	
COc1cccc(OC)c1S(=O)(=O)NNC(=O)C(C)(C)C	274772076	VBRGWTRRIYDYQK-UHFFFAOYSA-N	316.379	1.059	50	20	DDGD	
O=C(NNC(=O)c1occ2c1CCOC2)NC1CCCCC1	367500011	JCYZWDFPYVMFIC-UHFFFAOYSA-N	307.350	1.629	50	20	DDGD	
COC(=O)CCc1ccc(NC(=O)NNC(=O)C2CCC2)cc1	272860329	RZMSSMVVSRKEQN-UHFFFAOYSA-N	319.361	1.745	50	20	DDGD	
COc1ccc2c(c1)[C@@H](NC(=O)NNc1ncccn1)CCO2	274363499	NXTXRHPISHDTIE-LBPRGKRZSA-N	315.333	1.635	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H]1COc2cc(OC)ccc2C1	271167417	XIYFOOMQCDVGLN-CNELAYHGSA-N	302.330	1.559	50	20	DDGD	
COC(=O)N(C)CC(=O)NNc1nc2ccccc2cc1C	271996562	SYYOAAXCCHCMFD-UHFFFAOYSA-N	302.334	1.685	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)[C@@H]2CCCc3sccc32)CC1	377204644	VESNPTOMURSGBI-GFCCVEGCSA-N	322.434	1.156	50	20	DDGD	
COc1ccc2nc(NNC(=O)[C@H](C)NC(N)=O)c(C)cc2c1	272539986	VBAIDHMYRHDOKC-VIFPVBQESA-N	317.349	1.052	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc2c(c1)CCCO2	271284309	CTPYWLMZUHRMJU-SNVBAGLBSA-N	312.391	1.367	50	20	DDGD	
CC(=O)c1csc(C(=O)NNC(=O)NCC(F)(F)F)c1	281171026	IVUYTGDSHMZKHG-UHFFFAOYSA-N	309.269	1.457	50	20	DDGD	
COC(=O)[C@H]1CC[C@H]1C(=O)NNc1ccc(C(F)(F)F)nn1	285661424	DGBITLUZOPZOSH-RQJHMYQMSA-N	318.255	1.138	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1	285369715	UUZPXRHLJBVWDL-UHFFFAOYSA-N	313.379	1.763	50	20	DDGD	
CCCC(=O)N1CCC[C@H]1C(=O)NNc1ncc(F)cc1F	296865694	GSEXERMIYKDAMZ-NSHDSACASA-N	312.320	1.594	50	20	DDGD	
CC/C=C/CNC(=O)NNC(=O)Cc1nc2ccccc2n1C	298214316	UZHBCIISKNNOCJ-QPJJXVBHSA-N	315.377	1.412	50	20	DDGD	
COCc1ncc(C(=O)NNc2ccccc2C(=O)OC)s1	803032499	UMIIEYVMGAMHOI-UHFFFAOYSA-N	321.358	1.833	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1ccc2c(c1)CCCCC2=O	809972505	VVPWUSWTLJWLSI-UHFFFAOYSA-N	311.341	1.999	50	20	DDGD	
COC1(CNC(=O)NNc2cccc(NC(C)=O)c2)CCC1	297458939	VTKTXCXBQLXZEU-UHFFFAOYSA-N	306.366	1.840	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)c2ccnc(F)c2)cc1	802121738	NPVDPFJIMNRLPL-UHFFFAOYSA-N	317.324	1.753	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(F)c(Cl)c1F	293950329	JBMBBUDYNGIGDO-QMMMGPOBSA-N	304.680	1.558	50	20	DDGD	
C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)CBr	805111614	ZRDNBEORQLCUGG-UWVGGRQHSA-N	311.245	1.227	50	20	DDGD	
CCn1cc([C@@H](C)NC(=O)NNc2ccc(Cl)nn2)cn1	297449379	QIRCWUBIWNTKBO-MRVPVSSYSA-N	309.761	1.734	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@H](C)C2)cc1	802053793	AMZZLABZGODHLQ-MNOVXSKESA-N	307.350	1.663	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@]2(C#N)CC23CCCC3)n1	294189193	AVDQAFBVMNCFOA-MRXNPFEDSA-N	315.377	1.121	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CCNC(=O)c1ccc(F)cc1	299086189	LIWOQXLUTRHBNM-UHFFFAOYSA-N	309.341	1.139	50	20	DDGD	
CC1CCN(C(=O)C(=O)NNc2nc3ccccc3[nH]2)CC1	802570028	FYAZKHHUDIDNHP-UHFFFAOYSA-N	301.350	1.265	50	20	DDGD	
Cc1ccc(C#N)cc1NC(=O)NNC(=O)[C@H]1CCCCO1	296343673	HKOCTTJAIANELD-CYBMUJFWSA-N	302.334	1.589	50	20	DDGD	
CCOC(=O)C1CCC(NC(=O)NNC(=O)c2ccc[nH]2)CC1	299288136	FMVZXWCTOTXYMX-UHFFFAOYSA-N	322.365	1.081	50	20	DDGD	
COc1cccc(C2(C(=O)NNc3nc4ccccn4n3)CC2)c1	803186503	LWZGPRPSUHABBB-UHFFFAOYSA-N	323.356	1.913	50	20	DDGD	
CN(C)N(C(=O)CC(C)(C)C1CC1)[C@@H]1CCS(=O)(=O)C1	816776763	GIOZTGGOQZDNFL-GFCCVEGCSA-N	302.440	1.305	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NOC/C=C/Cl	811851624	LOHTVXCWCBOJNT-GQCTYLIASA-N	323.740	1.271	50	20	DDGD	
Cn1c(NNC(=O)[C@@H]2CSCCS2)nc2ccccc21	816579570	VNHYQVFIHGCSOM-NSHDSACASA-N	308.432	1.865	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NN=Cc1cnn(C)c1N	814751083	GDPMXMLGNJCULL-SECBINFHSA-N	305.313	1.059	50	20	DDGD	
O=C(NCc1ccc2c(c1)COC2)NNc1ncncc1F	814313677	GALLBUDDOJSUBA-UHFFFAOYSA-N	303.297	1.472	50	20	DDGD	
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NNC(=O)CC1CC1	819117656	BDHNNWPMIOWYMK-INIZCTEOSA-N	315.373	1.909	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1ccnn1-c1ccccc1	814957073	KXONGKYMQSNCRI-UHFFFAOYSA-N	308.345	1.678	50	20	DDGD	
COc1ccc(C(=O)NNc2nc[nH]n2)cc1-c1ccccn1	816632630	RKFXBEGCNSRFSN-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
Cc1cc(NC(=O)NNc2ncncc2F)ccc1C(N)=O	814634503	XFYMHLHDZZINPZ-UHFFFAOYSA-N	304.285	1.172	50	20	DDGD	
Cc1cc[nH]c1C(=O)NNc1ccccc1S(=O)(=O)N(C)C	817055376	ZCXCVPYJHBLBBL-UHFFFAOYSA-N	322.390	1.330	50	20	DDGD	
CCOc1ccc(NNC(=O)c2ccc(C(N)=O)cn2)cc1	817909062	UFNWTESNZXPBEB-UHFFFAOYSA-N	300.318	1.336	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C2(F)CCCCC2)c1	810006367	JVGFQSIPVCKKHN-UHFFFAOYSA-N	323.368	1.927	50	20	DDGD	
Cc1cc(F)c(S(=O)(=O)NNC(=O)C2CCC2)c(F)c1	818050215	OTJGHUIWPMCEOD-UHFFFAOYSA-N	304.318	1.383	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H]2CCc3nncn3C2)cc1Cl	816084468	DUBURPGFFZVSAN-JTQLQIEISA-N	316.752	1.509	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cc(Cl)c[nH]1	727943165	ZVIVGUHEIFZQBX-LBPRGKRZSA-N	321.720	1.269	50	20	DDGD	
O=C(CC1CC1)NN=Cc1c(-n2ccnc2)nc2ccccn12	814987235	MHGMGRIUUNOGED-UHFFFAOYSA-N	308.345	1.770	50	20	DDGD	
CC(=NNC(=O)N=c1cc[nH]cc1)c1ccc2c(c1)CC(=O)N2	815003621	CENHNDZQYZHDAV-UHFFFAOYSA-N	309.329	1.544	50	20	DDGD	
C=CCn1cc(CNC(=O)c2c(C)nn(CCCl)c2C)nn1	819607049	XVSZNNPCANVPKB-UHFFFAOYSA-N	322.800	1.446	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nn1	727743598	DAQRRLIERZKPDO-RAXLEYEMSA-N	311.345	1.327	50	20	DDGD	
Cc1ccc(CC(=O)NN(C)[C@@H](C)CO)cc1Br	823934091	BKPLCFUFDNNFOB-JTQLQIEISA-N	315.211	1.644	50	20	DDGD	
CC[C@@H](C)CCNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	820872825	HEXTXGRBCONNLC-SECBINFHSA-N	324.337	1.681	50	20	DDGD	
CCNC(=O)NNC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F	823800039	YTWQRJWLOCLBBN-UHFFFAOYSA-N	302.237	1.145	50	20	DDGD	
C=C(CBr)COC(=O)[C@@H](NC(=O)OC)C(C)C	496813870	IKYNAKFCJNKSBV-VIFPVBQESA-N	308.172	1.861	50	20	DDGD	
Cc1cc(C(=O)NN=C2CCN(C(=O)OCC(C)C)CC2)n[nH]1	495794502	MMQWEYUNPKBMRW-UHFFFAOYSA-N	321.381	1.692	50	20	DDGD	
CCN(C(C)=O)c1ccc(NC(=O)NNC(=O)C(C)C)cn1	824580952	LQOMMYISHOEMRV-UHFFFAOYSA-N	307.354	1.263	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCCC[C@@H]2c2ccnn2C)cn1	491046533	HFZFMHAOFNNUAF-SCZPIIQISA-N	324.388	1.814	50	20	DDGD	
C[C@H]1CC(=O)CC[C@@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1	824869136	YNZFNESYYVMWRQ-ZANVPECISA-N	314.349	1.315	50	20	DDGD	
CCCCC(=O)N1CSC[C@@H]1C(=O)NNC(=O)CC(C)C	728019660	GBVBPBJBZCTRLA-LLVKDONJSA-N	315.439	1.272	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCNC(=O)[C@@H]1CC1CCCCC1	491012978	SNXHQUGFYXWFEK-ZSMUJPCHSA-N	319.405	1.728	50	20	DDGD	
CC(C)CC[C@H]1CCCCN1C(=O)c1cccc(B(O)O)c1	584962879	SJXAPBOPTJKPOC-MRXNPFEDSA-N	303.211	1.797	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@@H]2CC[C@H](C#N)C2)c1	822575860	YMDGUYNINZBTCS-QWHCGFSZSA-N	316.361	1.397	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CC(c2c(F)cccc2F)=NO1	495762310	NJZWKAYVDVKKFD-SNVBAGLBSA-N	313.260	1.187	50	20	DDGD	
CCC1(c2ccccc2)CN(C(=O)c2ccc(B(O)O)cc2)C1	584998991	UZWVDUYQBMBYQC-UHFFFAOYSA-N	309.174	1.170	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccccc1	826114078	IQQIIAXYOXVYHS-YUTCNCBUSA-N	321.377	1.130	50	20	DDGD	
C[C@H](CN(C)C(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1ccccc1	827306067	CMHGPLVAMDXGFQ-IPYPFGDCSA-N	319.405	1.888	50	20	DDGD	
O=[N+]([O-])c1ccc(N2CC[C@@H](B(O)O)C2)c(OC(F)F)c1	585079326	YGPHLEBVCBHXAY-SSDOTTSWSA-N	302.042	1.249	50	20	DDGD	
C[C@H](Oc1cccnc1)C(=O)NNC(=O)c1ccccc1O	735516612	RQIKHJCCFPYGAC-JTQLQIEISA-N	301.302	1.016	50	20	DDGD	
CCOC(=O)NNC(=O)Cc1ccn(-c2ccc(F)cc2)n1	491847156	LERRXWALEKCLFF-UHFFFAOYSA-N	306.297	1.331	50	20	DDGD	
CC[C@@H](O)CN(CC(=O)NNC(=O)C(C)C)Cc1ccccc1	828428054	HECZTZDLKKJBOK-OAHLLOKOSA-N	321.421	1.063	50	20	DDGD	
CC[C@H](C)[C@H](C)NC(=O)NNC(=O)CNC(=O)OC(C)(C)C	494456563	UYLHWFMFINRAOI-UWVGGRQHSA-N	316.402	1.276	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@H](C2CC2)C(C)(C)CO)cn1	491047445	IVBIECXHVKYKDD-YGLIYXGISA-N	302.378	1.240	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCCC[C@@H]1Cc1ccccc1	584937567	VVEMGKYLOSRVOX-GOSISDBHSA-N	323.201	1.604	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cc[nH]c1	496774423	RNLANIHSAFMTED-GFCCVEGCSA-N	304.350	1.381	50	20	DDGD	
CCC(CC)c1cc(CNCc2ccc(B(O)O)cc2)on1	585025028	KCWLFTIDBXQFPQ-UHFFFAOYSA-N	302.183	1.548	50	20	DDGD	
O=C(NCCc1cccc2cccnc12)NNc1cccnn1	736379602	WRVMVPBVRLKVSC-UHFFFAOYSA-N	308.345	1.894	50	20	DDGD	
COc1cc(C=O)ccc1OCC(=O)NCC(Cl)Cl	837652032	SWRRCLQWKOUYLQ-UHFFFAOYSA-N	306.145	1.806	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@](C)(OC)C2CC2)cc1F	837054335	XPRCRIRZLZPYPT-OAHLLOKOSA-N	310.325	1.871	50	20	DDGD	
C[C@@H]1CCCC[C@H]1N1CCC(=NNC(=O)c2ncon2)CC1	901289692	KVBOKIVDKLKPCH-DGCLKSJQSA-N	305.382	1.830	50	20	DDGD	
C=CC(C)(C)CNC(=O)NNC(=O)COc1ccccc1OC	836191873	QUIYSVPDVZQGPM-UHFFFAOYSA-N	321.377	1.617	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@H](C(=O)O)C1)c1ccccc1O	833149173	HDHMNVOSXHBHKX-ZJUUUORDSA-N	306.318	1.044	50	20	DDGD	
CO[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc(C)n2)C12CCC2	838770190	WFLYBZQIIXGNRY-QWHCGFSZSA-N	318.377	1.292	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCCOc1ccc(C(=O)OC)cc1	731180978	IYCLDALZWRRHBF-ACCUITESSA-N	318.329	1.412	50	20	DDGD	
O=C1Nc2cccc(Cl)c2C1=NNC(=O)[C@H]1CCCCO1	834988326	HLXFWWQBFOLIDB-SNVBAGLBSA-N	307.737	1.682	50	20	DDGD	
C[C@H]1Cc2cc(C=NNC(=O)C(=O)N3CCCC3)ccc2O1	901181662	BFUDJKAVUYBDEB-NSHDSACASA-N	301.346	1.083	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccnc(F)c2)[C@H]2CCCC[C@H]2N1	831919248	XGWXXMXDOVTDPK-GRYCIOLGSA-N	306.341	1.359	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cncnc1C1CC1	836664320	WVATVTZUOXAQQM-UHFFFAOYSA-N	312.329	1.437	50	20	DDGD	
COC(=O)c1ccc(C(C)=NNC(=O)Cc2cc[nH]n2)c(C)c1	905474459	XCPKRVNCMSQXFG-UHFFFAOYSA-N	314.345	1.588	50	20	DDGD	
CC(Cc1cnccn1)=NNC(=O)[C@@H]1COc2ccccc2O1	834918287	RRLRFVMCSYBDFZ-HNNXBMFYSA-N	312.329	1.351	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@]2(C)C[C@H]2Br)o1	906932940	GTSPGHWIOAAOMB-KCJUWKMLSA-N	301.140	1.523	50	20	DDGD	
CC(=O)c1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)ccc1F	831793265	NYQYXPNDAKHMED-MWLCHTKSSA-N	323.324	1.606	50	20	DDGD	
CC[C@](C)(CNC(=O)NNC(=O)c1c[nH]c2ccccc12)OC	836578519	VAEDRIIZTQQFDU-MRXNPFEDSA-N	318.377	1.927	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@]2(C)CCCCO2)c1	839482815	MJGYESVKZFXPAG-INIZCTEOSA-N	321.377	1.214	50	20	DDGD	
O=S(=O)(CCl)NC[C@@H]1CCN(c2ccccc2F)C1	831597038	DHIVJWOYLVDITJ-JTQLQIEISA-N	306.790	1.768	50	20	DDGD	
CC[C@@H](CNCc1ccc(B(O)O)o1)c1ccc(Cl)cc1	585030573	HDXKRZYTEGEWEK-NSHDSACASA-N	307.586	1.896	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H]2CCCN2C)c1F	837873224	VGPIUWMCUSANJU-SNVBAGLBSA-N	324.356	1.333	50	20	DDGD	
O=C(O)NNS(=O)(=O)/C=C/c1cccc(Br)c1	738661452	LLXKIRFNPMRTPL-SNAWJCMRSA-N	321.152	1.522	50	20	DDGD	
OB(O)c1cccc(CNC2CC(OCc3ccccc3)C2)c1	585035984	BMDNRSFGYWFPMQ-UHFFFAOYSA-N	311.190	1.204	50	20	DDGD	
C[C@@H](Cc1ccsc1)NC(=O)NNC(=O)[C@@H]1CCCCO1	836248350	FIJMHTUQXRKYDZ-JQWIXIFHSA-N	311.407	1.579	50	20	DDGD	
CO[C@H](CNC(=O)NNc1cccc([N+](=O)[O-])c1)C(F)(F)F	733659296	CMKXNPYGLVMILJ-SECBINFHSA-N	322.243	1.798	50	20	DDGD	
COc1cc(F)cc(C[C@H](C)NC(=O)NNc2cccnn2)c1	836668004	CZDMJMGFKKLPMT-JTQLQIEISA-N	319.340	1.882	50	20	DDGD	
O=C(C[C@@H]1OCCc2ccccc21)NNC(=O)NC1CCCC1	734429593	LUUSULHJETYFJX-HNNXBMFYSA-N	317.389	1.964	50	20	DDGD	
COC(=O)[C@H](NNC(=O)c1cnn(C)c1)c1cccc(Cl)c1	735506712	KBHICGKIPJLOPP-GFCCVEGCSA-N	322.752	1.222	50	20	DDGD	
Cc1cc(Br)ccc1C(=O)NN(C)C[C@@H](C)O	910170652	OSEGYMMHENKNPQ-SECBINFHSA-N	301.184	1.715	50	20	DDGD	
O=C(CCCN1C(=O)CCC1=O)NNc1cccc(Cl)c1	915638710	XXFPCATXUHZHFV-UHFFFAOYSA-N	309.753	1.712	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)C#CC(C)C	832282943	GJFHSVGCFFCBEE-UHFFFAOYSA-N	310.375	1.201	50	20	DDGD	
Cc1sccc1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	838105223	MXHYTICQVFHFIB-SECBINFHSA-N	312.391	1.795	50	20	DDGD	
CC(C)c1ccc(NNC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cc1	838517137	UJJRRYNYXGMLNB-ZIAGYGMSSA-N	320.393	1.469	50	20	DDGD	
Cc1ccc2[nH]c(C(=O)NNC(=O)Cc3ccncc3)cc2c1	747430031	YYRBGNUYRSHXST-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
CC(=O)NCCCNC(=O)NNc1c(F)cc(F)cc1F	914126038	SGUVFZGHGSEKGE-UHFFFAOYSA-N	304.272	1.256	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2ccc(Cl)cc2)C(=O)OC1(C)C	748530833	UCIKYBAVQREKOP-UHFFFAOYSA-N	322.748	1.753	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCCC[C@H]1F	840439689	QKVXXWPIZMWKCN-VXGBXAGGSA-N	324.312	1.820	50	20	DDGD	
C[C@H]1CCc2[nH]nc(C(=O)NNC(=S)NCC3CCC3)c2C1	912109633	JDGGTOJDSJLGOH-VIFPVBQESA-N	321.450	1.444	50	20	DDGD	
CO[C@H](CC(=O)NNC(=O)c1cccc(C)n1)C(F)(F)F	844507853	XDPKSJUHWLLXIW-SECBINFHSA-N	305.256	1.118	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H]1CCCS1(=O)=O	846846579	BLNBLCIKTGNSKD-NSHDSACASA-N	315.303	1.086	50	20	DDGD	
NC(=O)c1ccc(C=NNC(=O)c2cc(Cl)ccc2O)cc1	915955904	NDGOAPXUMADBNN-UHFFFAOYSA-N	317.732	1.908	50	20	DDGD	
Cc1cc2ccccc2n1CC(=O)NNC(=O)[C@H]1CCO[C@H]1C	843640027	AOALCAVJSAHUCJ-JSGCOSHPSA-N	315.373	1.522	50	20	DDGD	
CCn1ncnc1C=NNC(=O)Nc1ccc(N(C)C)cc1	848406136	JKIBOURCNZLYGI-UHFFFAOYSA-N	301.354	1.520	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCCCC1)c1cn(C)nc1C	917542949	ADNDPQGZANCEGT-LBPRGKRZSA-N	305.426	1.691	50	20	DDGD	
O=C(NNC(=S)NC12CC3CC(CC(C3)C1)C2)c1cc[nH]n1	849276784	OWSMXRGKJUHZHP-UHFFFAOYSA-N	319.434	1.487	50	20	DDGD	
CC/C=C(\C)C(=O)NNC(=O)c1nnc(O)c2ccccc12	747145423	ZANBGTDCMNAIKT-RMKNXTFCSA-N	300.318	1.453	50	20	DDGD	
CCCCNC(=O)NNC(=O)COC[C@@H](C)c1ccccc1	845297268	SSXFQAUXWAKWCZ-CYBMUJFWSA-N	307.394	1.937	50	20	DDGD	
CC(C)c1ccc(NC(=S)NNC(=O)[C@@H]2CCC(=O)N2)cc1	913446144	UZKSJXLRNWSJCO-LBPRGKRZSA-N	320.418	1.406	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1sccc1-n1cccc1	843976354	XVZIUUUTPSNPFG-WDEREUQCSA-N	319.386	1.725	50	20	DDGD	
CC(C)C[C@@H](CN)NC(=O)NNc1ncnc2ccsc12	841953746	LEUDJKVKKXEJIT-VIFPVBQESA-N	308.411	1.691	50	20	DDGD	
CC[C@](O)(CC(=O)NNC(=O)c1c[nH]nc1C)c1ccccc1	840328669	QYKWVZWHVBAJKQ-INIZCTEOSA-N	316.361	1.167	50	20	DDGD	
O=C(Cc1ccsc1)NNC(=O)NCCC[C@H]1CCCN1	842006754	VETVBWIJNWTPCN-GFCCVEGCSA-N	310.423	1.153	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@H](O)c1ccccc1C(F)(F)F	911444440	DKJUNOSAQOULLK-LDYMZIIASA-N	306.284	1.083	50	20	DDGD	
CO[C@@H](C)[C@@H](C)NC(=O)NNc1ncc(Br)cn1	847373282	HLUQXRHCJPXUKL-RQJHMYQMSA-N	318.175	1.289	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@]1(Cl)C[C@H]2CC[C@H]1O2	911419650	IXDZIFURWYEHSV-KCRUCZTKSA-N	300.664	1.015	50	20	DDGD	
C[C@@H]1CCC[C@H](C(=O)NNC(=O)COc2ccccc2O)C1	741687857	FXMQMQBDLWHXKV-NEPJUHHUSA-N	306.362	1.745	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCc1ccccc1C(F)(F)F	910182069	HMCGBAFVYPYHQD-JTQLQIEISA-N	304.312	1.982	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)[C@]23CCC(=O)N2CCS3)c1	748785680	PWYWKOLEEWBNPL-CQSZACIVSA-N	309.366	1.643	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCSc1ccccc1	843639108	GHSNUHSJHXJQJI-DGCLKSJQSA-N	308.403	1.741	50	20	DDGD	
CCC(CC)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1	744769818	SKTJMHLMDAVXBV-UHFFFAOYSA-N	317.345	1.299	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNC(=O)NC2CCCCC2)c(O)n1	916106906	FEOYCVLQANWIPM-UHFFFAOYSA-N	321.381	1.005	50	20	DDGD	
COCCN(C)NC(=O)C[C@@H](c1ccccc1)c1ncc[nH]1	848377805	CGLFSRJEDFQBNO-AWEZNQCLSA-N	302.378	1.541	50	20	DDGD	
C[C@H](CN)CNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	841962091	GOMJWUOVFJLCGS-LLVKDONJSA-N	306.410	1.523	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1)[C@H]1CCOC1	741757330	QGELSDOHKKCXOL-OSFYFWSMSA-N	311.426	1.260	50	20	DDGD	
COC(=O)C12CC(C(=O)NNc3ccc([N+](=O)[O-])cc3C)(C1)C2	843887775	ZHWFQEMPMSMLMS-UHFFFAOYSA-N	319.317	1.690	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@@H]1CCc2cncn2C1	844136541	FFGCHRAKTNTHQF-CQSZACIVSA-N	312.373	1.144	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1	920821867	OCNSKMNKRBGDBC-LBPRGKRZSA-N	324.425	1.298	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnc([C@@H](C)OCC)s1	742585186	CCYXRRZPRZSHMW-SECBINFHSA-N	314.411	1.985	50	20	DDGD	
O=C(NCCC[C@@H]1CCCN1)NNc1cccc([N+](=O)[O-])c1	842004221	LAXNYDLOBGOQTG-NSHDSACASA-N	307.354	1.753	50	20	DDGD	
CCCNC(=O)NNC(=O)CN(C)c1nc2ccccc2s1	847392805	AGBFZHYLYQVARQ-UHFFFAOYSA-N	321.406	1.473	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21	929422815	MXBAUBFVIJCWQK-NJZULAAPSA-N	311.451	1.153	50	20	DDGD	
C#CC[C@H](NC(=O)NNc1nccc(OC)n1)c1ccccc1	757772710	NVOKJIQRXZCABO-ZDUSSCGKSA-N	311.345	1.876	50	20	DDGD	
O=C(C[C@H]1CC(=O)N1)NNc1nc2ccc(Cl)cc2s1	856237231	ZMPGQEVCSNMPLL-SSDOTTSWSA-N	310.766	1.671	50	20	DDGD	
C[C@H](CBr)CN1CCN(c2cc(F)ncn2)CC1	852132741	GBRQQZHFONFDSY-SNVBAGLBSA-N	317.206	1.769	50	20	DDGD	
CC(C)CNC(=S)NNC(=O)c1nnc(-c2ccccc2)o1	920079172	ORKFPZHKKKAHRZ-UHFFFAOYSA-N	319.390	1.502	50	20	DDGD	
C=CCCN(C)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	852591442	PHNGAARZOVEHBP-UHFFFAOYSA-N	312.414	1.178	50	20	DDGD	
C[C@H]1CCN(C(=O)NNC(=O)c2cccc(C#N)c2)CCS1	755251227	VKRCVRMEKYPZAM-NSHDSACASA-N	318.402	1.740	50	20	DDGD	
Cn1cccc(NC(=O)NC[C@]2(C)C[C@H]2Br)c1=O	856840903	WRTRSWYAXYNSOL-SKDRFNHKSA-N	314.183	1.680	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H](C(=O)OC(C)(C)C)C1CCCC1	854163286	PAEOGDGKSZMYPF-NSHDSACASA-N	314.382	1.912	50	20	DDGD	
CCN(CC)CCN1C(=O)C(=NNC(=O)NC)c2ccccc21	920377115	KTUBYUAIMUPEAS-UHFFFAOYSA-N	317.393	1.008	50	20	DDGD	
C[C@@]1(CNC(=O)NCCC2CC(O)C2)C[C@H]1Br	856956329	YHHAVKISJRLXFT-PTFDWCFRSA-N	305.216	1.620	50	20	DDGD	
CCn1cnc(C(=O)NNC(=O)CCc2ccccc2O)c1	857118372	KLFGXZZEPOIIJH-UHFFFAOYSA-N	302.334	1.002	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cc2ccncc2s1	853314862	OEQWGNWJCIQFOC-JTQLQIEISA-N	307.375	1.798	50	20	DDGD	
C[C@@H](NC(=O)NNc1cc(F)cc(Cl)c1)c1nncn1C	853403372	VRWIKXUAYMMFNR-SSDOTTSWSA-N	312.736	1.995	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H]1C[C@@]1(C)C(C)C	854284122	XPBQLMXMJWMICK-FZMZJTMJSA-N	301.456	1.543	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCC1(CC(=O)NC)CCCCC1	856140536	XPKZEPCQZSGHFH-QBFSEMIESA-N	307.394	1.633	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NN=c2sc3ccccc3n2C)C1	858985510	GDENKPOGPPLXRP-MGCOHNPYSA-N	306.391	1.532	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(OC(F)F)c(OC)c1	854929845	UYNORZMPOSKVJA-UHFFFAOYSA-N	319.333	1.378	50	20	DDGD	
Cc1cnn(CC(=O)NNc2ccc(C(F)(F)F)nn2)c1	755187761	PEKRINHAVNFDCC-UHFFFAOYSA-N	300.244	1.144	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)c2cnccn2)C[C@@H]1C	758098453	ROKNDLAIZWLPGB-JQWIXIFHSA-N	304.350	1.562	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cccc([C@@H]2CCCN(C)C2)c1	856758416	GAISYBDRKGOPOZ-OAHLLOKOSA-N	303.406	1.913	50	20	DDGD	
O=C(NNc1cnccn1)C(F)(F)c1c(F)cccc1F	757881820	VSAFVVLHIUINRY-UHFFFAOYSA-N	300.215	1.990	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CNCC(F)(F)F)c1C	855627666	XCRANSDRRWBSHY-UHFFFAOYSA-N	319.283	1.377	50	20	DDGD	
CC1CCC(OCC(=O)NNC(=O)c2cccc(F)n2)CC1	856426971	LEPCUQBXKPCUPR-UHFFFAOYSA-N	309.341	1.577	50	20	DDGD	
CCSCC[C@H](C)NC(=O)NNC(=O)c1cccc(F)n1	852158175	BZEDSJYWBSQNGU-VIFPVBQESA-N	314.386	1.696	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(Cl)cc1F)c1ncn(C)n1	922105961	IJYLXSSDPDKFTE-ZETCQYMHSA-N	312.736	1.995	50	20	DDGD	
CO[C@@H]1COCC[C@@H]1CNC(=O)NNc1cc(F)ccc1C	854105807	KAXZHHGQXCRBQF-BXUZGUMPSA-N	311.357	1.812	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1	858781616	GCGRAYMLNVHBDX-ZDUSSCGKSA-N	324.812	1.655	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cnn(-c2ccccn2)c1	756707827	WQEMYQFTTZBUFX-JTQLQIEISA-N	302.338	1.466	50	20	DDGD	
CCc1ccc(NC(=O)NNC(=O)c2cnn(C)c2)cc1C	757848507	LVCWJWDBPOLUGW-UHFFFAOYSA-N	301.350	1.757	50	20	DDGD	
CC1CCN(C[C@@H](C)C(=O)NN=Cc2cnc3n2CCC3)CC1	853278437	BIESICZUUZHFHY-CQSZACIVSA-N	317.437	1.647	50	20	DDGD	
CCCn1nccc1C=NNC(=O)[C@@H](C)CN1CCCCC1	853278978	LRHKFEMRZADKOD-AWEZNQCLSA-N	305.426	1.865	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nn2)n1	759085890	IVCADBMBRXAHHI-XFXZXTDPSA-N	319.328	1.546	50	20	DDGD	
COCCCNC(=O)NNC(=O)CC(C1CCC1)C1CCC1	858783319	UIVSASIKWLRNNR-UHFFFAOYSA-N	311.426	1.960	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@@]2(C)C[C@H]3CC[C@H]2C3)n1	858148950	RKCFLOWCVMBESL-XEZPLFJOSA-N	304.394	1.474	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccnc(Br)c1	758166570	GFICUYJCAIUZTN-UHFFFAOYSA-N	312.167	1.795	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(OC(F)(F)F)cc1	758509418	YYKZPZCXIJVSQR-UHFFFAOYSA-N	321.255	1.774	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)OCC(F)(F)F)c2n[nH]cc2c1	856023220	COXLIBVUPYYMOS-UHFFFAOYSA-N	316.239	1.805	50	20	DDGD	
COC[C@H](C)OC[C@H](O)CNC[C@@]1(C)C[C@H]1Br	857240393	JRZICBLTGDQELA-IRCOFANPSA-N	310.232	1.162	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2ccnnc2C)n1	753816866	YWVFGQWXVMUNBR-UHFFFAOYSA-N	301.354	1.178	50	20	DDGD	
N#C/C=C(\c1ccc(F)cc1)N1CC[C@@H](CS(N)(=O)=O)C1	932951563	JVRBYSKORUZKGY-LHDJSAJTSA-N	309.366	1.301	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN1C1CCCC1)c1ccc(Cl)nc1	862468160	SNQRJCNVVPKQFI-GFCCVEGCSA-N	322.796	1.513	50	20	DDGD	
CC(=O)Nc1ccc(O)c(C(=O)NNc2ncc(F)cn2)c1	760911325	GFIJGWCXRCZFEO-UHFFFAOYSA-N	305.269	1.037	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1nc(C)ccc1Br	935291350	PGEBRAYRNYCMHZ-UHFFFAOYSA-N	315.171	1.459	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)c1cc2n(n1)CCCO2	762141207	JLGLELTWDBHPCL-UHFFFAOYSA-N	312.251	1.840	50	20	DDGD	
Cc1cscc1NC(=O)C(=O)NNC(=O)CC(F)(F)F	764115653	CMEOPESDGREQCS-UHFFFAOYSA-N	309.269	1.095	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1C[C@H](OC(C)C)C1(C)C	764908859	PHPDUFSOSIQVGH-AAEUAGOBSA-N	300.399	1.734	50	20	DDGD	
CC1(C)CC(=NNC(=O)[C@@H]2CCC(=O)N2)c2ccccc2O1	863148863	LSSTYVGFBGNUQL-NSHDSACASA-N	301.346	1.347	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1O)C1CC1	863859796	UXHLLWZWPLFPTO-GFCCVEGCSA-N	312.753	1.622	50	20	DDGD	
C[C@H](CC(=O)NN[C@H](C)C(F)(F)F)NC(=O)c1ccccc1	862304348	ANZMLADOZNDLCS-NXEZZACHSA-N	317.311	1.767	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNC(=O)c2ccc(C#N)cc2)n1	865054121	RBZMULNXIDHGOH-NSHDSACASA-N	311.345	1.161	50	20	DDGD	
N#CC1=CCN(C(=O)CCCNC(=O)c2ccsc2)CC1	767160679	USUCCQCYNQZTOU-UHFFFAOYSA-N	303.387	1.940	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1nc2c(s1)CCCC2	761253872	LHZIXGGKWCIWFN-UHFFFAOYSA-N	301.375	1.966	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)[C@@H]1CCCCO1)c1ccc(F)cc1	861854334	WBADGWGZYPYXFJ-STQMWFEESA-N	310.325	1.230	50	20	DDGD	
CN(Cc1ncc(Cl)n1C)S(=O)(=O)CCCCl	882048921	HXVGENAWLIIAML-UHFFFAOYSA-N	300.211	1.464	50	20	DDGD	
C[C@@H](C(=O)Nc1ccc(NC(=O)CCl)cc1)n1cncn1	1116433732	DGOAFEUHFLAAEL-VIFPVBQESA-N	307.741	1.655	50	20	DDGD	
COCCOCC(=O)NN=Cc1cnc(-c2ccccc2)nc1	872403636	WTYDHUZJLKPIJE-UHFFFAOYSA-N	314.345	1.257	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccnn1Cc1ccc(F)cc1	779457947	LVRHBEKYCJCTHV-UHFFFAOYSA-N	305.313	1.633	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(Cl)nc1)[C@@H]1CN(C)CCO1	770439115	VQBSXFDCFPLOPA-KOLCDFICSA-N	313.789	1.080	50	20	DDGD	
C#CCO[C@@H](C)C(=O)NNC(=S)Nc1ccccc1OC	873770187	BUGMMNZEZAXVIC-JTQLQIEISA-N	307.375	1.051	50	20	DDGD	
COC(=O)c1cc(C(=O)NN(C)C2CC2)n(-c2ccccc2)n1	1118153775	GARAEJUJKDCUAT-UHFFFAOYSA-N	314.345	1.398	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCc1c[nH]c2cc(C)ccc12	875192520	XONLAKJVQHHHOT-UHFFFAOYSA-N	304.350	1.931	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)c2ccccc2)c(C)nc1C	776724338	MCSVZUHJEOMNET-UHFFFAOYSA-N	311.341	1.976	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccc(C(C)=O)o2)c1O	773978537	UATOTWXFVBQASA-UHFFFAOYSA-N	318.285	1.271	50	20	DDGD	
COc1ccc(-c2n[nH]cc2C(=O)NNc2cc(C)ncn2)cc1	770495995	STLUFUPQKNFAKN-UHFFFAOYSA-N	324.344	1.941	50	20	DDGD	
C[C@H](CBr)COC(=O)CCn1cc([N+](=O)[O-])cn1	770360821	IGSOXPVCYNBCIT-MRVPVSSYSA-N	320.143	1.756	50	20	DDGD	
C[C@@H](CBr)COC(=O)c1cc([N+](=O)[O-])cnc1N	770408535	SQGCVGYQGJDNLS-LURJTMIESA-N	318.127	1.760	50	20	DDGD	
CC[C@H]1CN([C@@H](CC)C(=O)NNc2nc(C)cc(C)n2)CCO1	773751282	MOQHFLIBDKVALR-KBPBESRZSA-N	321.425	1.426	50	20	DDGD	
O=C(COC(=O)C1[C@H]2CCC[C@H]12)NNC(=O)c1cccs1	776696550	VEQLTBHTINYLOD-IUCAKERBSA-N	308.359	1.098	50	20	DDGD	
C[S@@](=O)c1cccc(NC(=O)NNc2ncc(F)cn2)c1	775615170	AULNEDUWUFOIEZ-OAQYLSRUSA-N	309.326	1.502	50	20	DDGD	
CCc1cnccc1CNC(=O)NNC(=O)c1ccc(C)o1	779411078	ZJZUMIPWUBFDNX-UHFFFAOYSA-N	302.334	1.690	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2ccc(C)cn2)nc1C	778430671	XUQNNKCFYHGJKJ-UHFFFAOYSA-N	315.333	1.422	50	20	DDGD	
CCn1nnnc1-c1cccc(NC(=O)NNC(=O)C(C)C)c1	770352343	YUCYEVXSLULZFV-UHFFFAOYSA-N	317.353	1.169	50	20	DDGD	
C[C@H](NC(=O)NNc1cc(F)c(F)cc1F)c1ncn(C)n1	780707347	RWPWPFZQWWUERS-LURJTMIESA-N	314.271	1.620	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@]1(C)CCOc2ccccc21	887154647	SWMPPRDGODFFRE-KRWDZBQOSA-N	300.358	1.678	50	20	DDGD	
O=S(=O)(CCCCCl)NCCCOC[C@H]1CCOC1	780799763	KIVHTYOLGKJRLK-GFCCVEGCSA-N	313.847	1.368	50	20	DDGD	
COc1cccc(NNC(=O)Nc2cccc3c2OCO3)n1	782651217	PMYAKFYLIPZHMO-UHFFFAOYSA-N	302.290	1.968	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)c2ccc(Cl)nc2)nc1	789899108	NOGMUVPGBJOUQJ-UHFFFAOYSA-N	320.736	1.142	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@H]1CC(=O)c2ccccc21	899995792	FKQIAZOUYRPFSJ-LLVKDONJSA-N	305.403	1.650	50	20	DDGD	
CCn1c(NNC(=O)[C@@H]2CO[C@H](C)C2)nc2ccccc2c1=O	784337692	PRSBRIVWGFBTCL-MNOVXSKESA-N	316.361	1.285	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=O)NC2CCCCC2)C1	899940227	HRDHBPYCYXYFMZ-GWCFXTLKSA-N	319.409	1.739	50	20	DDGD	
COc1ccc(NNC(=O)c2cnc3cc(C)nn3c2C)nc1	781528064	RYNPRAFBOXQZGR-UHFFFAOYSA-N	312.333	1.507	50	20	DDGD	
CO[C@@H]1CCC[C@H](CC(=O)NNC(=O)c2cccc(C#N)c2)C1	793419910	WGBOVWIGYQVZGQ-SWLSCSKDSA-N	315.373	1.915	50	20	DDGD	
C=C1CCC(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)CC1	897331674	RWIFELXDXIDKNY-UHFFFAOYSA-N	311.382	1.405	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@H](F)CC1CCCCC1	793272238	GIJWLNSQASJXAJ-GFCCVEGCSA-N	301.362	1.368	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NC/C=C/Cl)cc1	899055175	JVOVIIZGPTVWRY-XNWCZRBMSA-N	311.769	1.711	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1scnc1Br	798305952	NCBFVYZGOHBYFO-UHFFFAOYSA-N	321.225	1.201	50	20	DDGD	
C=C(CBr)COC(=O)CN(C)c1ncccn1	795427240	NZCPVHYMHDSTRB-UHFFFAOYSA-N	300.156	1.407	50	20	DDGD	
CCC/C=C\C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	798308341	WDGYEJGQEYGGBU-SREVYHEPSA-N	303.362	1.746	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)c2cc(C#N)c[nH]2)c1	791273549	YNGOKHVHBNFUTK-UHFFFAOYSA-N	312.333	1.737	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)C(C)(C)NC(C)=O)cc1C	794645137	BMRRIQOTQVMBQY-UHFFFAOYSA-N	321.377	1.530	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCOCC(F)(F)C(F)(F)F	790861348	JKBMHYJOOQPBBS-UHFFFAOYSA-N	321.246	1.283	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)OCCC[C@@H](C)O)cc(C#N)n1C	795420496	PJXKXFPRUIIXLK-DKTFCQPKSA-N	301.346	1.816	50	20	DDGD	
COc1cc(C)cnc1C(=O)NNC(=O)CCc1ccccc1	792597135	LUYMOIHHGZZPCX-UHFFFAOYSA-N	313.357	1.792	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41	793202612	ZYVKTBFYFULLGY-KZOJPVOFSA-N	303.406	1.511	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1cc2nccnc2cc1F	792329979	RVZBWRRVNQHORW-UHFFFAOYSA-N	317.711	1.996	50	20	DDGD	
CC(C)[C@H](C#N)C=NNC(=O)[C@@H](C)CN1C[C@@H](C)O[C@H](C)C1	1319611711	BFZHMUKPRBAKPP-GBJTYRQASA-N	308.426	1.629	50	20	DDGD	
CSc1nc(C(=O)NNC(=S)NC(C)C)c2ccccn12	1318065945	LVJMKEWMAOWDBU-UHFFFAOYSA-N	323.447	1.574	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cc(C(C)(C)C)nn2C)n[nH]1	1320107098	DGZHOMXVZRFJIY-UHFFFAOYSA-N	319.369	1.216	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)NC/C=C\C2CC2)c1	1328211586	CLGJKQYZZCUACU-ARJAWSKDSA-N	317.389	1.979	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)c1cncn1-c1ccccc1	1321109352	CGUIBSWIOLRARX-NSHDSACASA-N	317.418	1.780	50	20	DDGD	
O=C(NNC(=S)Nc1cccc(F)c1F)c1ccncc1	1322930892	JEUFPYDVMMMVBE-UHFFFAOYSA-N	308.313	1.991	50	20	DDGD	
CCCOc1cccc(NC(=O)NNC(=O)C2CCNCC2)c1	1326076983	UCIOIFOBWCMDIH-UHFFFAOYSA-N	320.393	1.628	50	20	DDGD	
O=C(NNC(=O)c1ncoc1[C@@H]1CCCO1)c1ccccc1	1328407395	WYUDTSAVVKOZMY-NSHDSACASA-N	301.302	1.601	50	20	DDGD	
C[C@H]1CN(Cc2ccccn2)CCC1=NNC(=O)c1cccnn1	1331343992	DFRBZAJPWJIGQM-ZDUSSCGKSA-N	324.388	1.499	50	20	DDGD	
COCCOc1cccc(C=NNC(=O)C2CCOCC2)c1	1336996218	ZUDGNENEOSSQBR-UHFFFAOYSA-N	306.362	1.589	50	20	DDGD	
O=C(OC[C@H](CBr)C1CC1)c1cc[n+]([O-])cc1	1331629985	TZEZGEAPVQDYTN-NSHDSACASA-N	300.152	1.898	50	20	DDGD	
CCN(CC)CC[C@@H](C)NC(=O)NNc1ncc(Cl)cn1	1348612720	XIKFVEBGEALEHG-SNVBAGLBSA-N	314.821	1.877	50	20	DDGD	
Cc1nnc(CNC(=O)NNc2cc(F)cc(Cl)c2)n1C	1261656736	IZRKWLWYIVQAFY-UHFFFAOYSA-N	312.736	1.742	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCc2ccccc2C(=O)O)o1	1600341591	PTHWTOFUIASPSD-UHFFFAOYSA-N	316.313	1.680	50	20	DDGD	
N#Cc1cccc(NNC(=O)Nc2cccc(-c3nn[nH]n3)c2)c1	1606382090	VZZKYRJRMRCELI-UHFFFAOYSA-N	320.316	1.887	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H]1CCC[C@H]1C(=O)O	1605440626	VGKIMVRLWLNSCD-MNOVXSKESA-N	313.785	1.722	50	20	DDGD	
Cc1ccc(NNC(=O)CC[C@@H]2C[C@H](C(=O)O)CO2)cc1F	1600463070	VMVDMIHOVNEMJT-CMPLNLGQSA-N	310.325	1.847	50	20	DDGD	
Cc1ccc(C(=O)NNc2nncc(N)c2Cl)cc1C(=O)O	1600342557	SEIRMOLFBQLVSL-UHFFFAOYSA-N	321.724	1.476	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@](C)(CC(=O)O)C1CC1	1603612555	CLMKJTIITCZVAC-LBPRGKRZSA-N	311.831	1.814	50	20	DDGD	
O=C(NCC1CC1)NN=Cc1cc(C(=O)O)c2n1CCCC2	1608432316	KDJVHBYYFHADIL-UHFFFAOYSA-N	304.350	1.566	50	20	DDGD	
O=C(O)C(=O)NN=Cc1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1	1610714488	UARZFROUHSNAQJ-UHFFFAOYSA-N	316.361	1.412	50	20	DDGD	
O=C(O)c1cc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])on1	1610809998	HJUYXCDOJFSNHC-UHFFFAOYSA-N	310.197	1.177	50	20	DDGD	
O=C(NN=C1CC[C@@H]1c1ccccc1)[C@@H]1CN2CCC[C@H]2CO1	1549319700	IVICGXGLRFAXDD-UXLLHSPISA-N	313.401	1.899	50	20	DDGD	
NC(=O)c1cc(NS(=O)(=O)CCCCCl)ccc1F	228330169	AYLPDTIHDLJCPF-UHFFFAOYSA-N	308.762	1.685	50	20	DDGD	
CCCN1CCC[C@H](C(=O)NNc2ncccc2C(=O)O)C1	1573856865	FRAFDTUEATTYHG-NSHDSACASA-N	306.366	1.345	50	20	DDGD	
COc1ccc(CCCCCC(=O)NNC(=O)[C@H]2CCN2)cc1	1579208457	JLGICTUGZXBKIE-OAHLLOKOSA-N	319.405	1.307	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NC[C@H]2CC[C@@H](N)C2)cc(C#N)n1C	1579529547	KUCKDHIKIIGATA-AKMZGAMMSA-N	311.389	1.356	50	20	DDGD	
COCCN(CC(C)C)NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2N1	1579026165	OOFOOLMMOFISOP-PMPSAXMXSA-N	311.470	1.933	50	20	DDGD	
C[C@@H](N)c1ccc(C(=O)NNC(=O)c2cccc(F)n2)cc1	1576164059	FMTWUIQZFZVTLJ-SECBINFHSA-N	302.309	1.315	50	20	DDGD	
CC[C@@H](C)C[C@H](N)C(=O)NNC(=O)Cc1ccc(Cl)cc1	1576982900	MSIGMIJQTOCREF-MFKMUULPSA-N	311.813	1.793	50	20	DDGD	
CC(C)CCn1cc(C(=O)NNc2ncccc2C(=O)O)nn1	1588872605	VTIHFQCHLSZFCA-UHFFFAOYSA-N	318.337	1.174	50	20	DDGD	
C=CC[C@H](NNC(=O)[C@H]1OCC[C@H]1c1ccccc1)C(=O)O	1588749116	GEOQNNJRVDDVAP-IHRRRGAJSA-N	304.346	1.209	50	20	DDGD	
O=C(NNc1cccc(Br)n1)C12CCC(CC1)N2	1580739512	HRBRAMXCUOHTHN-UHFFFAOYSA-N	311.183	1.572	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cnoc1)C2	1845165103	VJIPBJLCNIHDED-NSHDSACASA-N	311.769	1.509	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)CCC(C)=O)C1	1842654955	BBFVFFLHAPKJNO-LBPRGKRZSA-N	314.813	1.576	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC[C@H](C(=O)O)C1	1594601505	OCNMEMDBDXHEOW-OEMOTLHWSA-N	300.314	1.622	50	20	DDGD	
CN(C)c1ccc(C=NNC(=O)C(=O)O)c(C(F)(F)F)c1	1598314381	PYZRQNPMZBVVRK-UHFFFAOYSA-N	303.240	1.306	50	20	DDGD	
O=C(O)/C=C\c1cc(C(=O)NNC(=O)NC2CCCC2)co1	1594967539	AKDNTLSTZJLKIV-WAYWQWQTSA-N	307.306	1.264	50	20	DDGD	
COc1cccc(C(=O)NN=Cc2ccc(C(=O)O)c(O)c2)c1	1776110176	QQBRVUGPJRHWDB-UHFFFAOYSA-N	314.297	1.863	50	20	DDGD	
CCc1c(C=NNC(=O)c2cccc(C(=O)O)c2)cnn1CC	1776095950	CZIROSURFIADMT-UHFFFAOYSA-N	314.345	1.928	50	20	DDGD	
Cc1nnc(NNC(=O)Cc2cccc3ccccc23)nc1O	11335065	XIGPCMODRVOXAY-UHFFFAOYSA-N	309.329	1.725	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1cccnc1Cl	15528940	KWNVAIXTEDFYQN-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	17331603	CMNIUQFUTPGVIZ-UHFFFAOYSA-N	324.293	1.700	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)C)c1Br	161570746	BCPITTYTCNGXES-UHFFFAOYSA-N	300.156	1.674	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(NC(=O)C(C)C)ccc1Cl	161601102	ISMCAVSVYHWRTM-UHFFFAOYSA-N	312.757	1.508	50	20	DDGD	
CNC(=O)NNC(=O)CCCOc1ccc2c(c1)CCCC2	162731392	QRUIKUGDMOODKW-UHFFFAOYSA-N	305.378	1.685	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccc[nH]1)c1cccc(F)c1F	165853852	OCGBXBPURJFSLY-QMMMGPOBSA-N	308.288	1.998	50	20	DDGD	
C[C@@H](C(=O)NNc1ccccc1[N+](=O)[O-])N1CCSCC1	151195844	QYTXHDQXBFRDEV-JTQLQIEISA-N	310.379	1.475	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21	151684352	IVUJTKNJRCFTFZ-BBBLOLIVSA-N	311.773	1.714	50	20	DDGD	
CCCC[C@H](CC)CNC(=O)NNC(=O)C(=O)N1CCCC1	155011610	VPYJCVMCFPKGFF-LBPRGKRZSA-N	312.414	1.156	50	20	DDGD	
C[C@H](Cc1ccccc1F)C(=O)NNC(=O)c1cccn1C	155055847	FLFYHCWTPGFDOO-LLVKDONJSA-N	303.337	1.804	50	20	DDGD	
C[C@]12CCC(=O)N1[C@H](C(=O)NNc1ccc(C#N)cc1)CS2	155552074	SQQDCKHYWBKHGX-WFASDCNBSA-N	316.386	1.455	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNc1ccc(C#N)cc1	155347627	ZKMSQYXXMUHWGW-UHFFFAOYSA-N	304.350	1.916	50	20	DDGD	
Cc1ccc(C(=O)NNc2nccc(N3CCOCC3)n2)cc1	155494554	GDHAUEYOOLDFHC-UHFFFAOYSA-N	313.361	1.379	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H](C)NC(=O)OCc1ccccc1	490557244	ZPOLAWXNXYKYSU-LLVKDONJSA-N	307.350	1.105	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)c1ccccc1	3483487	FPALXBUXWNUHEB-UHFFFAOYSA-N	314.341	1.925	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)OC(C)(C)C)cc1	6692956	OMILOWAOZRENBW-UHFFFAOYSA-N	302.352	1.413	50	20	DDGD	
C[C@@H]1CCC[C@@H](NC(=O)NNC(=O)Cc2cccnc2)[C@@H]1C	103594965	VDDLKEADWSNQEC-YRGRVCCFSA-N	304.394	1.779	50	20	DDGD	
O=C(CCCOc1ccccc1F)NNC(=O)Cc1cc[nH]n1	106452432	BNZNVHHRTRUSPD-UHFFFAOYSA-N	320.324	1.098	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NNc1ccccc1C(F)(F)F	55185791	XOHJCRSOTJCGGA-UHFFFAOYSA-N	324.324	1.973	50	20	DDGD	
COc1ccsc1C(=O)NNc1nc(-c2ccncc2)no1	106285073	GFHQTBBIJCWIMF-UHFFFAOYSA-N	317.330	1.959	50	20	DDGD	
CC(C)[C@H](NC(=O)c1cccs1)C(=O)NNC(=O)C1CC1	22882165	WRLOWYCITHWAJY-NSHDSACASA-N	309.391	1.060	50	20	DDGD	
Cc1ccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)cc1[N+](=O)[O-]	175547909	MYZIBRVRLKGTHI-VIFPVBQESA-N	322.390	1.811	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)C(C)(C)C)N(C)Cc1ccccc1	111499603	FEIWSTCGHIBMEG-ZDUSSCGKSA-N	320.437	1.883	50	20	DDGD	
O=C(CCl)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1	20181268	FLXHVCDUOUOYOM-UHFFFAOYSA-N	319.792	1.620	50	20	DDGD	
CC(C)N(C)CCNC(=O)NNC(=O)Cc1ccc(F)cc1	102063280	VDBRMCXRGHFEDD-UHFFFAOYSA-N	310.373	1.039	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(C)c([N+](=O)[O-])c2)n1	174474098	VUXZQHOZSXOTCT-UHFFFAOYSA-N	317.305	1.767	50	20	DDGD	
CSC[C@H]1CCCN1C(=O)NNC(=O)c1cccc(C#N)c1	119536403	URCFWHUVJNKVPF-CYBMUJFWSA-N	318.402	1.740	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@@H]2C[C@@H]2C2CC2)c1	175874782	VQOOHCQJJKACLJ-ZIAGYGMSSA-N	303.362	1.301	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)N1CCOCC1)Cc1cccc(F)c1	174364482	FJFPRJBMDNUWSC-LBPRGKRZSA-N	323.368	1.467	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(-n2cc(C)cn2)cc1	64425276	JDOAMIJEUDIJLA-UHFFFAOYSA-N	315.377	1.925	50	20	DDGD	
O=C(CC[C@H]1CCOC1)NNC(=O)c1cc(Cl)ccc1O	175866688	XYYAYQVHMHTEQT-VIFPVBQESA-N	312.753	1.623	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CCc1nc(-c2ccoc2)no1	118956384	FMIRINSCTJLSCB-UHFFFAOYSA-N	306.322	1.456	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCn1ccnn1)c1ccccc1	171879941	YPHVCMVWFZIJGH-CYBMUJFWSA-N	301.350	1.009	50	20	DDGD	
N#Cc1ccc(NNC(=O)CN2CCCCCCC2=O)cc1	178935308	TTXKQSIYBIABHG-UHFFFAOYSA-N	300.362	1.794	50	20	DDGD	
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(O)cc1	188309046	QZGNCPJGWUEAKT-ZIYUKDECSA-N	315.373	1.719	50	20	DDGD	
C=CCC[C@@H](C(=O)NNC(=O)N1CCOCC1)c1ccccc1	189063221	SZARHQYZIKTHJP-OAHLLOKOSA-N	317.389	1.809	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)/C=C(\C)C1CC1	186067693	IKQXFGMVBKOTSB-MDZDMXLPSA-N	324.402	1.898	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)c2cc3ccccc3o2)CCO1	78347484	RCVQTFFFKKBRPN-LBPRGKRZSA-N	317.345	1.898	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NNc1ncnc2nc[nH]c12	186427765	UPFNEPYLRXJQNA-GHMZBOCLSA-N	318.381	1.781	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NNc2ccnc(F)c2)C1	182486002	ZARMYQPUINUKTR-RYUDHWBXSA-N	322.384	1.949	50	20	DDGD	
COCCC1(CNC(=O)NNC(=O)c2ccc(C#N)cc2)CC1	134049157	CGSLWZJZCSSBBX-UHFFFAOYSA-N	316.361	1.319	50	20	DDGD	
CNS(=O)(=O)c1cccc(C(=O)NNc2ccc(F)cc2)c1	42065313	QIGCBMJFUNHOMM-UHFFFAOYSA-N	323.349	1.491	50	20	DDGD	
COc1cccc(NNC(=O)c2cccnc2-n2cccn2)n1	183029154	GLMORUIRKMXSDK-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cccc(-c2nccn2C)c1	184906714	PJRWPWCBDDNYTA-UHFFFAOYSA-N	317.349	1.276	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CSc1ccc2ccccc2c1	192928291	PUPXGQSWOLCRPJ-UHFFFAOYSA-N	318.398	1.850	50	20	DDGD	
N#Cc1ccc(SCC(=O)NNc2nc3ccccn3n2)cc1	191910361	AEHWWGHSBBXLDQ-UHFFFAOYSA-N	324.369	1.836	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@H](C)CN2CCCCC2)o1	84433176	MLHUGJSGAAESMO-LBPRGKRZSA-N	322.409	1.654	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)Nc1cnns1	192373490	TYUIUVKPTABWNZ-UHFFFAOYSA-N	305.363	1.714	50	20	DDGD	
CC(C)CN1N=C(C(=O)NNc2cccc(C#N)c2)CCC1=O	134999466	WQQURDALORKDTI-UHFFFAOYSA-N	313.361	1.636	50	20	DDGD	
CN(CCI)Cc1ncc(Cl)n1C	191043600	QGHIDSPZZNJNTD-UHFFFAOYSA-N	313.570	1.940	50	20	DDGD	
O=C(CC1CCOCC1)NNc1nc2ccccc2c(=O)[nH]1	137211037	JTNDCGDTICSTGV-UHFFFAOYSA-N	302.334	1.183	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@H]3COCCO3)cc2C1	47954344	NHVMXKMGUNJMRN-MWLCHTKSSA-N	324.402	1.049	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1cc(F)ccc1O	80001136	HUNHYLLBQYYOMR-UHFFFAOYSA-N	303.293	1.404	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNc1ccc(C(C)(C)C)nn1	88380941	QNGSJIVZKJUYIU-UHFFFAOYSA-N	321.425	1.866	50	20	DDGD	
CN(C)C(=O)Nc1cccc(C(=O)NNC(=O)CC(C)(C)C)c1	265927140	ZKOOUEQXIBFYIY-UHFFFAOYSA-N	320.393	1.977	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)CC(C)C)nn1-c1ccccc1	265579252	PEWCWQVDAKZOHK-UHFFFAOYSA-N	315.377	1.637	50	20	DDGD	
COc1c(F)ccc(F)c1C(=O)NNC(=O)NC1CCCC1	267964996	NHAXTGKXGSOGCB-UHFFFAOYSA-N	313.304	1.860	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(Cl)c(F)c1	276089585	FCIVDKNPKCUJHL-UHFFFAOYSA-N	316.720	1.110	50	20	DDGD	
CC[C@@H](C)Oc1cc(CNC(=O)NNC(=O)C2CCC2)ccn1	272139020	UDUUOGPYUOABQX-LLVKDONJSA-N	320.393	1.889	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	278909158	ZQCMRAXCJJHOKS-CHWSQXEVSA-N	319.317	1.337	50	20	DDGD	
COC(=O)NNC(=O)CCSc1ccc2c(c1)OCCO2	274306316	SCCAUOCVFONQHO-UHFFFAOYSA-N	312.347	1.327	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	272068522	BOZNDVLPYJNPHN-LLVKDONJSA-N	322.361	1.282	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc([S@@](C)=O)c(F)c1	274435584	RBOCREXGSBRRLI-OAQYLSRUSA-N	316.358	1.261	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@H]2OCCc3ccccc32)n1	371235905	MTNTYQJDIJCDSM-AWEZNQCLSA-N	313.361	1.300	50	20	DDGD	
C[C@@H](Cn1ccc2ccccc21)C(=O)NNC(=O)NC1CC1	284996930	FUZKIVXSWQZAGX-NSHDSACASA-N	300.362	1.770	50	20	DDGD	
CC[C@H](C)CCC(=O)NNC(=O)Cc1cn2ccccc2n1	285913380	CAFJHRIGILYXQC-LBPRGKRZSA-N	302.378	1.851	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1O)C(=O)OC	282993222	QNJSXIFKESGSSD-MRVPVSSYSA-N	314.725	1.006	50	20	DDGD	
CSSCCNC(=O)c1ccccc1NS(C)(=O)=O	285642804	INVDSEMHTLRROA-UHFFFAOYSA-N	320.461	1.799	50	20	DDGD	
C=CC[C@@H](CC)NC(=O)NNc1nc(O)c2cnn(C)c2n1	281215854	CQLKFNXURLOESD-MRVPVSSYSA-N	305.342	1.050	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H](c1ccccc1)N(C)CC	281386445	XOAXTSYHHVEDFH-CYBMUJFWSA-N	306.435	1.361	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)c2cn[nH]c2)cc1OC	298662341	JWRXIPXIJLAKSH-UHFFFAOYSA-N	318.333	1.282	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cc2c(cc1O)CCCC2	294191425	XGXNHEZHBVGQTC-AWEZNQCLSA-N	304.346	1.211	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNc1oc(C(C)C)nc1C#N	809639906	RAPWEQRGGWCRIF-SECBINFHSA-N	308.338	1.702	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCc1occc1C	292097109	NZBBNIVBPRBZFW-UHFFFAOYSA-N	317.345	1.670	50	20	DDGD	
CC(C)[C@](C)(NC(=O)[C@@H](Br)C(C)(C)C)C(N)=O	804427522	CTUNDBPZLDMPCX-PELKAZGASA-N	307.232	1.812	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2CCn3c(cnc3C)C2)n1	290371929	JDZUSHHCEYUUHJ-LLVKDONJSA-N	301.350	1.301	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)Cc1nncn1C	807843519	MEVBGTQFBBIVFQ-UHFFFAOYSA-N	310.789	1.139	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802097852	BIWLYSQQULLHFH-RWEMILLDSA-N	321.333	1.382	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)C[C@H]2OC(=O)c3ccccc32)O1	294291273	QHHCYOYHKYOMER-TVYUQYBPSA-N	318.329	1.003	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccc(OC(F)F)nc1	801957309	XWQYLLOCJBZSJT-UHFFFAOYSA-N	300.265	1.636	50	20	DDGD	
C[C@@H]1CC[C@@H](C=NNC(=O)Cn2nnc(-c3ccccc3)n2)C1	800805046	NRYCKPUAIUXYPQ-CHWSQXEVSA-N	312.377	1.878	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc3c(c2)CCCC3)O1	294315651	RULQMWAEHGQYJG-NHYWBVRUSA-N	302.374	1.894	50	20	DDGD	
CC(C)Cn1cc(NC(=O)C(=O)NNc2cccc(F)n2)cn1	807390527	FBAUBKKQSZLZGK-UHFFFAOYSA-N	320.328	1.155	50	20	DDGD	
CCn1nc(C)c(CNC(=O)NNc2cccc(F)n2)c1C	805076057	CYKCUJMDFGDSLL-UHFFFAOYSA-N	306.345	1.880	50	20	DDGD	
CC[C@H]1CCCCN1CC(=O)NNC(=O)Cc1ccccc1C	297790747	HGZXTGCYVSPZDF-INIZCTEOSA-N	317.433	1.949	50	20	DDGD	
COc1cc(CCNC(=O)NNc2ncncc2F)ccc1C	292726205	PTIVXIGJSITXBB-UHFFFAOYSA-N	319.340	1.802	50	20	DDGD	
CN(C)c1ccc(NC(=O)NN=C2CCN(CCO)CC2)cc1	819807797	GAYXGTFNNOEDFD-UHFFFAOYSA-N	319.409	1.318	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)CCc2ccccc2)n1	815186984	JVZIMVOCMMUKLN-UHFFFAOYSA-N	301.350	1.000	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)CNc2ccccc2)n1C	811631323	UISGMADVRIQZBF-UHFFFAOYSA-N	300.366	1.048	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)/C=C\c1cncc(C)c1	819728200	UFIFMYYVVWSQKR-FPLPWBNLSA-N	321.377	1.340	50	20	DDGD	
CN(NC(=O)Cc1ccnc(O)c1Br)C1CC1	819651601	QNTQPNCXCCJCHV-UHFFFAOYSA-N	300.156	1.218	50	20	DDGD	
Cn1cnc2cc(C=NNC(=O)COc3ccccc3O)ccc21	814952856	OCOHBYWNDIYJBK-UHFFFAOYSA-N	324.340	1.808	50	20	DDGD	
Cc1ccc(F)cc1NC(=O)C(=O)NNc1ncncc1F	815765596	WRZXOXWEFYPOCJ-UHFFFAOYSA-N	307.260	1.145	50	20	DDGD	
CN(C)C(=O)NN=C1COc2cc(Br)c(F)cc21	814821102	KKGGVKQGPLMTDF-UHFFFAOYSA-N	316.130	1.956	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2cccc(C(=O)O)c2Cl)n[nH]1	814878344	YEULUXZCAJRFDY-UHFFFAOYSA-N	306.709	1.834	50	20	DDGD	
CCC(C=NNC(=O)Nc1ccc(S(N)(=O)=O)cc1)CC	814968251	VXHFNYFOKCTBHI-UHFFFAOYSA-N	312.395	1.878	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cccc3cccnc23)n1	810270007	OFQSJTYOHXNYGL-UHFFFAOYSA-N	317.308	1.576	50	20	DDGD	
CN(NC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1)C1CC1	819646816	GIGUXVHHYKPPOO-QGZVFWFLSA-N	301.390	1.807	50	20	DDGD	
Cc1cnn(C)c1C(=O)NNC(=S)NCCc1cccs1	820165221	RTLGPRXVLDRTRC-UHFFFAOYSA-N	323.447	1.142	50	20	DDGD	
CCOC(=O)NNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1	496998247	XUKXGHYTZDNLIG-UHFFFAOYSA-N	309.278	1.335	50	20	DDGD	
CCN(CCO)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C	823842124	PSYIRLVJNFJDKS-LBPRGKRZSA-N	317.430	1.271	50	20	DDGD	
COc1ccc(CCCC(=O)NN(C)[C@H](C)CO)c(OC)c1	823940540	YZTYKEQYIZUMDA-GFCCVEGCSA-N	310.394	1.370	50	20	DDGD	
CNC(=O)NNC(=O)/C=C\c1cccc(OC2CCCC2)c1	491433744	FEAOEOQONJIZPY-KTKRTIGZSA-N	303.362	1.981	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(COc2ccc(C#N)cc2)o1	495449093	UDTLCITZEBPGGF-UHFFFAOYSA-N	315.285	1.731	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)Cc2c[nH]c3ccccc23)CO1	828419443	CHLWLHIKNVJRQU-CMPLNLGQSA-N	316.361	1.218	50	20	DDGD	
Cc1ccc(Nc2cccc(C(=O)NN(C)[C@H](C)CO)c2)nn1	823953103	YFJVDHYPQACMAV-GFCCVEGCSA-N	315.377	1.486	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)NCCSC	726278440	GLSKIFPVIVLHGJ-UHFFFAOYSA-N	317.798	1.656	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)COc2ccc(C#N)cc2)CC=CCC1	822195711	CGBQZDMLDQSLIW-QGZVFWFLSA-N	313.357	1.831	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)c1c[nH]c(-c2nn[nH]n2)c1	826446557	QGAGUWGGQKRATH-UHFFFAOYSA-N	323.238	1.369	50	20	DDGD	
COc1nc(C)cc(C)c1CNC(=O)NNC(=O)c1ccc[nH]1	727605427	KRHKELBLRHGASU-UHFFFAOYSA-N	317.349	1.179	50	20	DDGD	
CCOC(=O)NN=C(C)c1cn(CC(=O)OC(C)(C)C)nn1	496151019	LMEFEQCSNVUFEO-UHFFFAOYSA-N	311.342	1.090	50	20	DDGD	
CCN(CCO)NC(=O)c1cc2c(C(C)C)nn(C)c2s1	823859884	CNBZMWTVNOTVCE-UHFFFAOYSA-N	310.423	1.717	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1CCCN(Cc2ccccc2)C1	585026271	FMHGEFYSEMEBJB-GOSISDBHSA-N	324.233	1.121	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(C(=O)OC)cc1OC	496326287	OOWAYXBBXCMESN-UHFFFAOYSA-N	311.294	1.264	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H]2CCCN2C(C)C)cc1	823892510	RVZPDXCKVZKGAH-HNNXBMFYSA-N	319.405	1.718	50	20	DDGD	
O=C(NN=Cc1ccc(OC[C@@H]2CCCO2)cc1)c1ncon1	901285867	NBKIYEVZFKMUGW-ZDUSSCGKSA-N	316.317	1.391	50	20	DDGD	
CC(C)Cc1ccc(CCC(=O)N2CC[C@H](B(O)O)C2)cc1	585063548	BURIQYMDYZXRQS-INIZCTEOSA-N	303.211	1.893	50	20	DDGD	
Cc1nn(CCC#N)c(C)c1CCC(=O)NNc1cccnn1	736711059	SFKMRAZOGKYCKO-UHFFFAOYSA-N	313.365	1.280	50	20	DDGD	
CO[C@@H](C)c1nc(C)c(C(=O)Nc2cccc(B(O)O)c2)s1	584911901	IULNSBPEADRGDS-VIFPVBQESA-N	320.179	1.091	50	20	DDGD	
O=C(O)[C@@H]1C[C@H]1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	739548706	QRVPZLROOUVAAT-PRZIYQELSA-N	306.362	1.071	50	20	DDGD	
CCOC(=O)NN=C(C)c1cc(S(N)(=O)=O)c(C)cc1C	492659131	UXTIZKZFCRMXIX-UHFFFAOYSA-N	313.379	1.421	50	20	DDGD	
O=C(NNc1c(F)cccc1F)c1cnc2sccn2c1=O	735694116	FEQLNCAPFJGPFL-UHFFFAOYSA-N	322.296	1.791	50	20	DDGD	
CCc1cc(CNC(=O)NNC(=O)Cc2ccc(F)cc2)n[nH]1	738489989	ZFHSTEVMTJFZIN-UHFFFAOYSA-N	319.340	1.184	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2CC[C@@H](c3cccc(F)c3)C2)c1	585039907	XCPMOSSNQNRJBM-CRAIPNDOSA-N	313.181	1.931	50	20	DDGD	
CN(C)c1ccc(CN2CC[C@H](B(O)O)C2)c(C(F)(F)F)c1	585076360	MXLFFDSKOYWUMM-NSHDSACASA-N	316.132	1.820	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCC(OCCC(C)C)CC1	732196983	AQEYTGYQRILIQC-CYBMUJFWSA-N	313.442	1.459	50	20	DDGD	
OB(O)[C@H]1CCN(Cc2ccccc2OCc2ccccn2)C1	585076420	MIMJHZLTNHSFIZ-HNNXBMFYSA-N	312.178	1.709	50	20	DDGD	
CCSc1nnc(S[C@@H](C)C(=O)NNC(=O)CC)s1	731904985	VQRRTOTUAMRTDU-LURJTMIESA-N	320.465	1.688	50	20	DDGD	
CC(C)O[C@H](COc1ccc(B(O)O)cc1)c1ccccc1	584910821	TYBVRKBOUVFLBE-QGZVFWFLSA-N	300.163	1.912	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1[N+](=O)[O-]	831046860	HVOVDVNZZYRAEF-MWLCHTKSSA-N	322.321	1.481	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NC[C@@](C)(C(=O)OC)c1ccccc1	588558541	DUUKOHSKCPJRKR-QAAVPBIRSA-N	316.357	1.677	50	20	DDGD	
Cc1nc(-c2cnn(C)c2)sc1C(=O)NNc1cnccn1	734550350	LVZROXLTVQMTQY-UHFFFAOYSA-N	315.362	1.399	50	20	DDGD	
O=C(NCB(O)O)c1cc(-c2ccc(F)cc2)nc2ccccc12	585059925	GKRGYNVCKUUZTA-UHFFFAOYSA-N	324.120	1.783	50	20	DDGD	
C=C(CC)CNC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	838719055	CKBBBCYIJMIRGY-NSHDSACASA-N	309.341	1.890	50	20	DDGD	
Cc1ccc(SC[C@@H](C)NCc2ccc(B(O)O)o2)cc1	585036609	MLHUEVXFUNEDJD-GFCCVEGCSA-N	305.208	1.538	50	20	DDGD	
CCC[C@H](CNC(=O)NNC(=O)Cc1ccccc1C)OC	836526764	SCBZAMLBDZELLP-CQSZACIVSA-N	307.394	1.683	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@]2(C)C[C@H]2Br)n1	906878429	NFWXLOJIGOPYTM-HQJQHLMTSA-N	315.171	1.410	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)C[C@@H](C)O1	834929846	XBTXCWNYEKHEQC-DTORHVGOSA-N	306.322	1.850	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)Cc1ccc(OC)c(OC)c1	732196607	DAXHVZBUXIBEFU-LLVKDONJSA-N	323.393	1.082	50	20	DDGD	
COCCCOCCC(=O)NNc1cc(F)c(F)cc1F	830821899	ZWGMXPWYUYVDHB-UHFFFAOYSA-N	306.284	1.990	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CCNC(=O)CC2)cc1C	834936251	UEDHUTLYECJRAY-UHFFFAOYSA-N	316.361	1.014	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	837589718	YXQVAWAZTWRNSW-SECBINFHSA-N	321.312	1.789	50	20	DDGD	
C[C@H](OCCCNCc1ccc(B(O)O)o1)c1ccccc1	585015023	MGTZJPJOZFBVCL-ZDUSSCGKSA-N	303.167	1.217	50	20	DDGD	
C[C@H]1CC(=NNC(=O)Cn2cnc3ccccc32)c2nccn21	834926305	XUWYAJOESUISTN-NSHDSACASA-N	308.345	1.718	50	20	DDGD	
CC[C@@H]1C[C@H]1CNC(=O)NNC(=O)c1ccc(OC)c(OC)c1	836205642	NNBMJNHMNVKHBD-PWSUYJOCSA-N	321.377	1.694	50	20	DDGD	
CCOc1cc(C(=O)NN(C)C[C@@H](C)O)cc(Cl)c1O	910180875	ONLGEHCOQNODSZ-MRVPVSSYSA-N	302.758	1.402	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)OCC(C)C)cc1	915261758	WJXNUNBUQGOEAK-CYBMUJFWSA-N	308.378	1.582	50	20	DDGD	
COC(=O)N1CCC(C(=O)NNc2cccc(OC)n2)CC1	831882121	SHZMZPKMXMBDJU-UHFFFAOYSA-N	308.338	1.012	50	20	DDGD	
Cc1ncsc1C(=O)NN[C@H](C(=O)O)c1cccc(C#N)c1	833010568	QKHYMJKKATXELI-NSHDSACASA-N	316.342	1.384	50	20	DDGD	
CC(CCN(C)C)=NNC(=O)CSc1nc(C)cc(C)n1	915936734	CKKDDMURMDXWKM-UHFFFAOYSA-N	309.439	1.629	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F	742463660	UKZAGLWDTISFND-ZCFIWIBFSA-N	305.212	1.554	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cccs1)C[C@@H]1CCCCO1	745983598	YLKWSODBKOKHPQ-NSHDSACASA-N	311.407	1.010	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F	843650928	ITNIWHFPPGEOIH-FSZOTQKASA-N	324.327	1.641	50	20	DDGD	
Cc1cc(O)cc2c1C(=O)C(=NNC(=O)[C@@H]1CCO[C@@H]1C)O2	842554006	HYZFFJIOKSCCIO-PSASIEDQSA-N	304.302	1.130	50	20	DDGD	
CCCC[C@H](CN)NC(=O)NNc1ccc2c(=O)[nH]ccc2c1	841959647	ZAFOEDHZJNWHGN-CYBMUJFWSA-N	317.393	1.672	50	20	DDGD	
CC(C)CO[C@H](C)C(=O)NNC(=O)c1cccc(N(C)C)c1	917559420	ISLKIKMGVOYPHR-GFCCVEGCSA-N	307.394	1.575	50	20	DDGD	
CCOc1cccc(C(=O)NNc2ccnc(N(C)C)n2)c1	740112065	CDDLCNOSYNKJBE-UHFFFAOYSA-N	301.350	1.698	50	20	DDGD	
CC[C@H](C)n1nc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1C	843660628	KSWKGKAFNYUOOG-MVWJERBFSA-N	308.382	1.349	50	20	DDGD	
O=C(O)NNC(=O)Nc1nnc(Cc2cccc(F)c2)s1	740002377	HCCHFFJSWUGHHY-UHFFFAOYSA-N	311.298	1.572	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1CC(c2ccc(F)cc2)C1	843662766	UZBDEMHIOXXJBK-PXAAAUNGSA-N	320.364	1.892	50	20	DDGD	
O=C(NNc1ncccn1)c1cc(F)cc2nc(S)[nH]c12	919708763	WSQWAERBFODYPB-UHFFFAOYSA-N	304.310	1.538	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)C2CC2)c(Cl)c(OC)c1	841731355	IMBNPHHCWKWFBK-UHFFFAOYSA-N	313.741	1.920	50	20	DDGD	
Cc1ccn2cc(C(=O)NNC(=O)CC3CCCC3)nc2c1	749950575	IGVQACMYNZOKTM-UHFFFAOYSA-N	300.362	1.984	50	20	DDGD	
CC[C@@H](N)CNC(=O)NNC(=O)c1cc(C)nc2ccccc12	842008604	UXPMRRBJUQBVPL-LLVKDONJSA-N	315.377	1.225	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cccc(-c2nnc(C)o2)c1	746171460	SRHJERYMWOLKBU-UHFFFAOYSA-N	303.322	1.399	50	20	DDGD	
C[C@H](CSc1ccccc1)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843651503	NFJWTKYSBACGSX-YRGRVCCFSA-N	322.430	1.987	50	20	DDGD	
O=C(NN=CC1CCCC1)C1CCN(c2ncccn2)CC1	741843738	SOXFVQRZKZVPCY-UHFFFAOYSA-N	301.394	1.985	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)[C@@H]1CCc2cncn2C1	844136482	HUAAEMWKSFWRFM-LLVKDONJSA-N	308.345	1.532	50	20	DDGD	
CO[C@](C)(C1CC1)[C@H](C)NC(=O)NNc1nc2ccccn2n1	840422947	FYNKEPKYMGPKIP-BONVTDFDSA-N	318.381	1.559	50	20	DDGD	
CC[C@@H](N)CNC(=O)NNC(=O)c1c(Cl)cccc1Cl	842007627	QRNZZBKWZRUWDW-SSDOTTSWSA-N	319.192	1.675	50	20	DDGD	
Cc1cc(C(=O)NN(C)C[C@@H](C)O)c(C)n1Cc1ccccn1	910170705	NANLEOABYASBMQ-CYBMUJFWSA-N	316.405	1.506	50	20	DDGD	
CS[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)CC(F)(F)F	845337515	SPLJSMNIUHBQHT-HTQZYQBOSA-N	313.345	1.943	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Cn1sc2ccccc2c1=O	746653116	BHFCKNQJFSVSFX-UHFFFAOYSA-N	307.375	1.257	50	20	DDGD	
CCc1csc(CC(=O)NNC(=O)c2ccccc2F)n1	746439247	KFKCAIUAEKTVFY-UHFFFAOYSA-N	307.350	1.848	50	20	DDGD	
O=C(CCc1ccccc1Cl)NNC(=O)CN1CCCC1=O	920826732	OLQZWXIGBLLOSJ-UHFFFAOYSA-N	323.780	1.042	50	20	DDGD	
C[C@@H](Cc1ccncc1)NC(=O)NNC(=O)c1ccccc1F	749617632	AAEZBWGMFISMDQ-NSHDSACASA-N	316.336	1.796	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@@H]1C[C@@H](C)O[C@H]1C	840436712	QLWHZEMQRGNIHB-WOPDTQHZSA-N	321.377	1.453	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)[C@@H]1CCCS(=O)(=O)C1	845919292	XXGCOLJFIXMABX-GFCCVEGCSA-N	319.386	1.503	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@H](CO)C[C@H]1CCCO1	923745820	QCNPFTICSDHRPP-CRSTWVDOSA-N	318.348	1.779	50	20	DDGD	
C[C@H]1CC(=NNC(=O)Nc2ccc3c(c2)OCO3)c2ncnn21	841640178	KYPABHRBDBLDJH-QMMMGPOBSA-N	314.305	1.497	50	20	DDGD	
C[C@H](OC[C@H]1CCCCO1)C(=O)NNc1ncccc1[N+](=O)[O-]	759297962	QKNARKMUFOOZAM-WDEREUQCSA-N	324.337	1.407	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1c(C2CC2)cnn1C)C1CC1	855094433	BQQIOOQRWOBBGX-MRVPVSSYSA-N	307.423	1.205	50	20	DDGD	
COC(=O)COc1cccc(C(=O)NCCCSC#N)c1	854363333	WIHMQTWTRVYRRQ-UHFFFAOYSA-N	308.359	1.573	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)N[C@@H]1CCO[C@@H](C2CC2)C1	852256024	OHJJWBPPXBURJY-ZYHUDNBSSA-N	322.340	1.122	50	20	DDGD	
CN(C)C(=O)CCCNC(=O)NNc1cc(F)cc(Cl)c1	853479572	KLSJQOFMCFZDPW-UHFFFAOYSA-N	316.764	1.974	50	20	DDGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NC[C@]1(C)C[C@@H]1Br	857686846	FTYOWIQJBBYVCW-DJFWLOJKSA-N	319.243	1.827	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cccc(Cl)n2)c(C2CC2)n1	857324117	BNTKREBCSOJNGI-UHFFFAOYSA-N	319.752	1.421	50	20	DDGD	
O=C(NNc1ccncn1)N[C@H]1CCN(C2CCCCC2)C1	852587175	TYBUADSFACVLOH-LBPRGKRZSA-N	304.398	1.510	50	20	DDGD	
O=C(NNC(=O)c1coc(C2CCC2)n1)OCC(F)(F)F	856020741	RZYULVAQFACFJG-UHFFFAOYSA-N	307.228	1.875	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCCOc1ccc(Cl)cc1	854926265	ZBIGTXSTKXSHEF-UHFFFAOYSA-N	315.826	1.966	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)CCC1(C)CC1	929449687	JHUCQSZOHVQJPV-UHFFFAOYSA-N	300.362	1.984	50	20	DDGD	
CCCN(CC)c1ccc(C(=O)NNC(=O)c2cc[nH]n2)cc1	855359549	WMRSEDPRPIYESY-UHFFFAOYSA-N	315.377	1.721	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)c1cn[nH]c1)c1ccccc1	858703735	BPSNFYHLLICVHE-NSHDSACASA-N	301.350	1.548	50	20	DDGD	
COCCCNC(=O)NN=C1C[C@@H](C)N(Cc2ccccc2)C1	757574571	GDVPTRPCKPJOOE-CQSZACIVSA-N	318.421	1.973	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCc1ccc2ccccc2c1O	854922137	YRFXVGCJKWPQOW-UHFFFAOYSA-N	317.414	1.945	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)Nc2cnns2)c1	755362132	GUKIPNPBGKYKJZ-UHFFFAOYSA-N	313.364	1.090	50	20	DDGD	
CC(C)c1ccccc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1	854294812	MXNKAMQPPHGDAD-LLVKDONJSA-N	324.402	1.006	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)c1noc2c1COCC2	857866700	XKEFIRBEYGZJFO-UHFFFAOYSA-N	307.281	1.652	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@H]1CCCC1(C)C	854283818	MAQNGCSGAHMMQY-LLVKDONJSA-N	301.456	1.687	50	20	DDGD	
O=S(=O)(CBr)NC[C@H]1NCCc2ccccc21	850588133	UOJQYOZTKZPGMJ-LLVKDONJSA-N	319.224	1.145	50	20	DDGD	
Cc1ccc(NNC(=O)CC[C@@H]2NC(=O)NC2=O)c(Cl)c1	854843263	LVHRPPWJZCEGNO-JTQLQIEISA-N	310.741	1.080	50	20	DDGD	
COCCN(CC(F)F)C(=O)NNC(=O)c1cc(C)cs1	858705599	IWANFPWMCIZKSQ-UHFFFAOYSA-N	321.349	1.624	50	20	DDGD	
CC[C@@H]1CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C1	755993479	CBZXVDWLXPJLQZ-GFCCVEGCSA-N	300.362	1.051	50	20	DDGD	
N#C[C@@H]1CCCN(CC(=O)NNC(=O)c2ccccc2Cl)C1	932155909	QWDGGUCKVXKDDT-NSHDSACASA-N	320.780	1.337	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccnc1)c1occc1C	767791594	BXCDQWHRSQBKRY-UHFFFAOYSA-N	300.318	1.253	50	20	DDGD	
COc1cc(O)c(C=NNC(=O)c2cc(C)[nH]n2)cc1OC	768367367	PUHAAURZSBAOHR-UHFFFAOYSA-N	304.306	1.205	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21	863881734	UXKCIAACRGIAET-IJLUTSLNSA-N	306.329	1.382	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@]1(NC(=O)OC(C)(C)C)CC1(F)F	864491372	WZVUONWJNSYAGL-GFCCVEGCSA-N	321.324	1.092	50	20	DDGD	
O=C(NNC(=O)c1csc(-c2ncccc2F)n1)NC1CC1	768941296	FUINMYCOVNLYHN-UHFFFAOYSA-N	321.337	1.451	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)c1cnn2ncccc12	765329143	QGSHQASDVJQDJR-UHFFFAOYSA-N	321.300	1.536	50	20	DDGD	
CC[C@](C)(O)C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	935858275	TVEDPDKSNIBCEU-ZDUSSCGKSA-N	317.292	1.602	50	20	DDGD	
COc1c(C)cc(C(=O)NNC(=O)Cc2cc(C)[nH]n2)cc1C	869015676	VLXDFGXKUWKBID-UHFFFAOYSA-N	316.361	1.347	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1ccccc1C(C)(C)C	763832064	LAVYQKKIMPPNKD-UHFFFAOYSA-N	305.378	1.726	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)/C=C/CCc1ccccc1	869068902	XDBGPSSUXVMJBC-GJTNBUKJSA-N	302.374	1.748	50	20	DDGD	
CC(=O)Nc1ccccc1CC(=O)NNC(=O)CC1CCCC1	769920491	IMVWOJFULKTCEG-UHFFFAOYSA-N	317.389	1.915	50	20	DDGD	
Cc1nc([C@@H]2CCOC2)sc1C(=O)NNC(=O)NCC1CC1	865016179	YSYRGPCSGJVBKU-SNVBAGLBSA-N	324.406	1.309	50	20	DDGD	
COc1cc(C(=O)N(C)NC(=O)OCc2ccccc2)nn1C	862289459	GRLMXZXIFAAOEN-UHFFFAOYSA-N	318.333	1.342	50	20	DDGD	
COC1(C=NNC(=O)COc2ccccc2C#N)CCOCC1	761768704	WFVJVMTUFFPHNB-UHFFFAOYSA-N	317.345	1.235	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1cccc(C(F)F)c1	1116687922	CUZXCLQRQZHDSX-UHFFFAOYSA-N	301.293	1.491	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C1CCN2CCC[C@H]12	765555189	PSVYVFZJWUREPL-CQSZACIVSA-N	302.378	1.447	50	20	DDGD	
CCSc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)NC1CC1	764881918	VDOCTDBNTHSOFJ-UHFFFAOYSA-N	324.362	1.813	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1snc2ccccc12	879823810	JPYZQZMYFZFJAJ-BDAKNGLRSA-N	320.374	1.874	50	20	DDGD	
O=C(NNC(=O)c1ccc2cc[nH]c2n1)c1ccc2c(c1)OCO2	779491293	MSTNJXDXFKIOSX-UHFFFAOYSA-N	324.296	1.366	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)c1ncc2n1CCCC2	878848784	CDLGTSGDENDXJQ-UHFFFAOYSA-N	308.345	1.920	50	20	DDGD	
CCCC(=NNC(=O)COCCOC)c1ccc(OC)cc1	872400418	KUARFJNNJJLLMX-UHFFFAOYSA-N	308.378	1.979	50	20	DDGD	
C[C@@H](C(=O)NNC(=S)Nc1ccccn1)N1CCCCCC1	874956831	PZXYQTRFPHNBRD-LBPRGKRZSA-N	321.450	1.664	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1nccn2ccnc12	775265472	QBICWLHSSXPDGJ-UHFFFAOYSA-N	322.250	1.900	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCCOc2c(OC)cccc21	872363905	VXOWOYMJXQSRLI-UHFFFAOYSA-N	321.333	1.044	50	20	DDGD	
CCOC(=O)c1cnc(C)c(NC(=O)NN(C)CCOC)c1	879075306	IIVBULPKESONAW-UHFFFAOYSA-N	310.354	1.181	50	20	DDGD	
CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)NNC(=O)C(C)C	770827495	FLYXZAKWNZFPCV-MFKMUULPSA-N	311.357	1.888	50	20	DDGD	
C[C@@H]1Oc2c(cccc2C(=O)NCCCSC#N)NC1=O	773584857	IZQFIAOKQAZXND-VIFPVBQESA-N	305.359	1.740	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2nn(-c3ccccc3)cc2O)CCO1	773191161	OOJMUINIFYHBGF-LLVKDONJSA-N	314.345	1.863	50	20	DDGD	
CCc1noc(C)c1C(=O)NNC(=O)c1cc(Cl)ccc1O	776106784	BMSNEKLQIPLUKF-UHFFFAOYSA-N	323.736	1.979	50	20	DDGD	
COc1ncc(NC(=O)NNc2ccccc2)cc1C(N)=O	770070369	LQQVBQNJFNXOAI-UHFFFAOYSA-N	301.306	1.338	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)c1ccccc1F	772111087	RCFYAHAAAKADES-UWVGGRQHSA-N	310.325	1.418	50	20	DDGD	
O=C(CN1CCCNC1=O)NNc1ccc(Cl)cc1F	885110145	QKIBDZRXNSUHFE-UHFFFAOYSA-N	300.721	1.338	50	20	DDGD	
CC(=O)N(C)CC(=O)NNc1cc(Br)ccc1F	885145803	FPFCJMHYCKUTTP-UHFFFAOYSA-N	318.146	1.510	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)c1cccc[n+]1[O-]	771551793	FUUVLJCODOIMPZ-UHFFFAOYSA-N	309.123	1.234	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1csc(-c2ccsc2)n1	779822253	BMELQKUBBSZKDK-UHFFFAOYSA-N	324.387	1.678	50	20	DDGD	
O=C(NNc1cc(O)nc2ncccc12)[C@@H]1[C@H]2CCCO[C@H]21	1120769369	HKMAEFIZUTXIIO-OASPWFOLSA-N	300.318	1.204	50	20	DDGD	
O=C(CN1CCC[C@H]1C1CCC1)NNC(=O)c1cccs1	777576707	XZXGMDVWCFLBFJ-LBPRGKRZSA-N	307.419	1.774	50	20	DDGD	
C[C@H]1CCc2c(C(=O)NNC(=O)c3cccnn3)csc2C1	882061332	DHAGEJWUSGUGPN-VIFPVBQESA-N	316.386	1.738	50	20	DDGD	
CCC[C@H](C)NC(=O)NNC(=O)CNC(=O)OC(C)(C)C	778589058	JRZXGGZQPHSVJV-VIFPVBQESA-N	302.375	1.030	50	20	DDGD	
C/C(=C/C(=O)NNc1nc(O)c2cnn(C)c2n1)C(C)(C)C	770972618	SYZZHDBFPFRVNG-VURMDHGXSA-N	304.354	1.504	50	20	DDGD	
COc1cccc(NNC(=O)c2cc([N+](=O)[O-])ccc2OC)n1	780771509	UZUZDVDASGOKPW-UHFFFAOYSA-N	318.289	1.764	50	20	DDGD	
CCC1(CNC(=O)NNc2ccc(C#N)cn2)CCOCC1	888448792	CJZMPFGHTMLOMJ-UHFFFAOYSA-N	303.366	1.786	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)Cc2ccc(F)cc2)nc1	789871367	IBMWHIQFVKIDOM-UHFFFAOYSA-N	317.320	1.162	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CCOCC1	883062082	QESOQOXQZDNTBA-GHMZBOCLSA-N	322.327	1.929	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCOCC(F)(F)F)c1	780796856	LTJRHMGYKDQSOZ-UHFFFAOYSA-N	320.267	1.885	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@H]1CCCN1CC(F)F	882439807	RADVDVSBMZOGGH-SECBINFHSA-N	304.790	1.264	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1CC(c2ccccc2C)=NO1	887153146	JJNFWPFMQGPACC-OAHLLOKOSA-N	313.357	1.439	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)CO1	784150558	UZRJSNLRMQUBMQ-MNOVXSKESA-N	306.366	1.330	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1ccc(F)nc1	788566948	NSOKQXLYMZKNRD-UHFFFAOYSA-N	316.321	1.891	50	20	DDGD	
CC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1cc(C)nn1C	788929755	YWUBWWNBHJCPKB-UHFFFAOYSA-N	301.306	1.791	50	20	DDGD	
COc1cccc(NNC(=O)COc2ccccc2[N+](=O)[O-])n1	780772492	BJIANEYMBBWAPX-UHFFFAOYSA-N	318.289	1.521	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)CNc2ccc(C)cc2)cn1	788272029	QWYGZZHAUDZIQT-UHFFFAOYSA-N	313.361	1.305	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H]1CCC(=O)[C@H](C)C1	780737341	LBSKRMCSWBMXSD-MNOVXSKESA-N	304.346	1.922	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2cccc(Cl)c2)C1	786687918	PEHSZTMGAXSDDR-NXEZZACHSA-N	323.780	1.393	50	20	DDGD	
C[C@@H]1CC[C@@H](NC(=O)NNc2ccccc2S(C)(=O)=O)C1	780787947	UAGAROZXYFPHSX-GHMZBOCLSA-N	311.407	1.905	50	20	DDGD	
C=C1CCC(C(=O)NNc2nccc(N3CCOCC3)n2)CC1	896994817	BYSLNGPQGFGKGM-UHFFFAOYSA-N	317.393	1.503	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21	891495921	UDAACTMHPSFIIU-KNXALSJPSA-N	316.357	1.000	50	20	DDGD	
COc1ccc(C=NNC(=O)CN2CCCC2=O)c(Cl)c1	794765085	ANQXECMPFLIMAJ-UHFFFAOYSA-N	309.753	1.421	50	20	DDGD	
COC(=O)C[C@@H]1CCC(=NNC(=O)Cc2cc(C)[nH]n2)[C@@H]1C	794490436	SHNHMSJAWMVWNN-MNOVXSKESA-N	306.366	1.342	50	20	DDGD	
CN(N)C(=O)[C@@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1	1573877110	CWFOHRNUPJNODU-LLVKDONJSA-N	311.304	1.508	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)COC(F)F)cc1	794619735	MGJIUGFHKXKCDI-UHFFFAOYSA-N	304.318	1.474	50	20	DDGD	
Cc1ccc2c(c1)N(C(=O)C(=O)NNc1ncccc1C)CC2	792375129	DOFBETOTDSRVMI-UHFFFAOYSA-N	310.357	1.731	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CCC(F)(F)C2)cc1	794907569	YTRGHXYHNACZMV-LLVKDONJSA-N	311.332	1.990	50	20	DDGD	
N#CC[C@H](CC(=O)NNC(=O)Cc1cc[nH]n1)c1ccccc1	793448312	UFBQGLYFVVLMSE-CYBMUJFWSA-N	311.345	1.187	50	20	DDGD	
Cc1nn(C)cc1C(=O)Nc1cccc(NC(=O)NN(C)C)c1	791277123	JKAPEEPALGZINE-UHFFFAOYSA-N	316.365	1.579	50	20	DDGD	
C=C(CBr)COC(=O)c1ccc(C(N)=O)s1	795486497	PCKJAUTXIFSRPI-UHFFFAOYSA-N	304.165	1.955	50	20	DDGD	
C[C@@H]1COC(=O)C1=NNC(=O)CCSc1ccc(F)cc1	794876919	ABUWMDGLAVWRSB-SECBINFHSA-N	310.350	1.973	50	20	DDGD	
CSc1c(F)cccc1C(=O)NNC(=O)c1cccn1C	797797697	DQQJSHXDTGEWEY-UHFFFAOYSA-N	307.350	1.961	50	20	DDGD	
C[C@H]1CCC[C@H](OCC(=O)NNc2nc3ccccn3n2)C1	791259389	QNJCIGHUTNLCOY-RYUDHWBXSA-N	303.366	1.768	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21	794622060	VJWGMQHCJLEIIY-JHJVBQTASA-N	309.410	1.265	50	20	DDGD	
CCN(CC(=O)NNc1nncc(N)c1Cl)c1ccccc1	1319221049	ZHABMIYDHQBEQM-UHFFFAOYSA-N	320.784	1.682	50	20	DDGD	
CC1CCN(CCC(=O)NNC(=S)NCC2CCC2)CC1	1318213226	UAUYWLRETYYRJV-UHFFFAOYSA-N	312.483	1.404	50	20	DDGD	
Nc1cnnc(NNC(=O)CN2CCc3ccccc32)c1Cl	1319240871	QTTYRJWDKZKPSS-UHFFFAOYSA-N	318.768	1.218	50	20	DDGD	
N#CCOc1cccc(CNC(=O)NNC(=O)C2CCC2)c1	1318521841	QQDAPXONFNFXJW-UHFFFAOYSA-N	302.334	1.219	50	20	DDGD	
Cc1cc(C)cc([C@H](C)NC(=O)NNC(=O)C2CCNCC2)c1	1325666042	KKTFJDRETBHKMQ-ZDUSSCGKSA-N	318.421	1.694	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)N[C@@H]1C=CCCC1	1329890427	GNRLAMVUAXPAPU-GFCCVEGCSA-N	324.425	1.368	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2cnc3cccnn23)nn1	1333038869	NMYUQHGXCBHCHL-UHFFFAOYSA-N	311.349	1.574	50	20	DDGD	
Cc1cc(O)cc2c1C(=O)C(=NNC(=O)C1CCOCC1)O2	1336996193	ZKAJZIOFKKABMY-UHFFFAOYSA-N	304.302	1.132	50	20	DDGD	
CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)c1cncn1-c1ccccc1	1332380919	VXIROCOKPFLTOM-BXUZGUMPSA-N	316.361	1.040	50	20	DDGD	
CCON(CC)C(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1331097371	JUXVQSNNVILIDV-KCJUWKMLSA-N	307.188	1.076	50	20	DDGD	
COc1nccnc1NNC(=O)[C@]12CC[C@H](CC1=O)C2(C)C	1528492209	DPWZYCRCEZWKIU-PSLIRLAXSA-N	304.350	1.324	50	20	DDGD	
O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C1CCC(Cl)CC1	1527625928	POQDQLITNZQMGD-PQAZSJQKSA-N	300.830	1.763	50	20	DDGD	
Cn1cc(N2CCN(C(=O)C3CCC(Cl)CC3)CC2=O)cn1	1528008260	HBUWJPFUELJRAL-UHFFFAOYSA-N	324.812	1.393	50	20	DDGD	
O=C(C1CCC(Cl)CC1)N1CCC(N2CCNC2=O)CC1	1527472322	ALHKVEDLSAYYKL-UHFFFAOYSA-N	313.829	1.800	50	20	DDGD	
O=C(CCc1ccc(O)nc1)NNc1cccc(C(=O)O)c1F	1608316118	RKDAYFIUVWEBCU-UHFFFAOYSA-N	319.292	1.700	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CC=C(C(=O)O)C1	1601559555	VOHMOZMHQPAMQT-MRVPVSSYSA-N	324.268	1.533	50	20	DDGD	
Cc1csc(CC(=O)NN=C2C[C@H]3C[C@H](C(=O)O)[C@H]2C3)n1	1600658521	GJXKMSFBGQUVAY-BBBLOLIVSA-N	307.375	1.597	50	20	DDGD	
C[C@H](CC(=O)O)CC(=O)NNC(=O)Cn1ccc2ccccc21	1604107156	XFAVYQKVYLQOCB-NSHDSACASA-N	317.345	1.290	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNc2ccc(CC(=O)O)cc2)CCC1=O	1604648223	JLVBKRKCYCMBLI-PWSUYJOCSA-N	304.346	1.762	50	20	DDGD	
O=C(NC[C@@H]1CCCNC1)NNc1ccc(F)c(C(=O)O)c1	1601483186	BNFXHTWOAYHCQW-SECBINFHSA-N	310.329	1.150	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2(C(=O)O)CC=CC2)c1C	1604401108	DIQYWCQGSLDNDG-UHFFFAOYSA-N	318.329	1.646	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2cccc(F)c2C(=O)O)no1	1606532778	FBUSNZQKWVXCFF-UHFFFAOYSA-N	323.236	1.055	50	20	DDGD	
O=C(NCc1nccs1)NNc1ccc(C(=O)O)cc1F	1601552343	SRJODXHYVKRJEY-UHFFFAOYSA-N	310.310	1.807	50	20	DDGD	
O=C(O)CC[C@@H]1C[C@@H](C(=O)NNc2cccnc2Cl)CO1	1606111887	PSZHQBUVVRXZKE-RKDXNWHRSA-N	313.741	1.448	50	20	DDGD	
CCc1ccc(NNC(=O)c2cc(C)c(-c3nn[nH]n3)cn2)cc1	1604524947	OXPTYSGFYNWMHC-UHFFFAOYSA-N	323.360	1.889	50	20	DDGD	
CC1=C(C(=O)NNc2ccc(C(=O)O)c(F)c2)SCCO1	1609827566	YBFVBZUPKRQZHB-UHFFFAOYSA-N	312.322	1.962	50	20	DDGD	
Cn1cc(NC(=O)NNc2ccc([N+](=O)[O-])cc2)cc1C(=O)O	1608119841	UVUZRFQVVUZSGK-UHFFFAOYSA-N	319.277	1.780	50	20	DDGD	
O=C(CCn1ccnc1)NNc1ccc(C(=O)O)c(Cl)c1	1601299805	PIWIRFIAQQMGCY-UHFFFAOYSA-N	308.725	1.768	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cccn2CC(=O)O)cc1	1604763980	VSGWVQYPQGZVBY-UHFFFAOYSA-N	301.302	1.345	50	20	DDGD	
COC[C@H](C)C(C)=NNC(=O)[C@H]1CCCO[C@H]1c1nccn1C	1549310028	KRPLVSZSWOXAQW-FPMFFAJLSA-N	322.409	1.662	50	20	DDGD	
O=C(NCCc1cccc(O)c1)NNc1cccc(C(=O)O)c1	1610694686	XBRZPEUXNNIJEC-UHFFFAOYSA-N	315.329	1.959	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1scnc1C	1610288372	MELSBUDKXCTVMA-UHFFFAOYSA-N	307.331	1.915	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCO[C@@H]1c1ccnn1C)c1cc[nH]n1	1549314706	JXULDNMFYICDIV-FZMZJTMJSA-N	316.365	1.151	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C=NNC(=O)c1cnccn1	1552447335	RSVRJJWOODCRPU-DGCLKSJQSA-N	314.349	1.094	50	20	DDGD	
CC[C@H]1NCC[C@@H]1C(=O)NNc1ccnc(C(F)(F)F)c1	1577308330	LTESUPVXVLDRIN-VHSXEESVSA-N	302.300	1.932	50	20	DDGD	
CN[C@@H](CC(C)C)C(=O)NNC(=O)CSc1ccc(C)cc1	1578754087	HPTAYVXEZIUKIC-AWEZNQCLSA-N	323.462	1.869	50	20	DDGD	
CCOCc1nc(Cl)cc(NNC(=O)C2=CC[C@H](N)C2)n1	1578127500	YFFFTVUCHXMNMR-VIFPVBQESA-N	311.773	1.157	50	20	DDGD	
Cc1ccnc(CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)c1	1581279042	LTBMABLPHKWAGU-UHFFFAOYSA-N	324.348	1.396	50	20	DDGD	
NC[C@@H]1[C@H](C(=O)NNc2ccnc(C(F)(F)F)c2)C1(F)F	1580326814	FLKSBMQTPUWPFA-HTRCEHHLSA-N	310.226	1.384	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(CC(=O)O)cc1)c1cnn(C)c1	1589423719	QAFASMKJCXCCNG-JTQLQIEISA-N	302.334	1.294	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)COC	1847867514	WJZOLMQCGDANCI-WOPDTQHZSA-N	302.802	1.242	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@]1(Cl)C[C@H]2CC[C@H]1O2	1595261914	LTXKGKJWQISBTF-JPVBRFOXSA-N	311.725	1.152	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)ccc1Cl	1592054062	NLLQGXBCYSOZOI-UHFFFAOYSA-N	317.740	1.914	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2ccc(-c3nn[nH]n3)o2)c1	1592172988	NQROMLNVNZWRFK-UHFFFAOYSA-N	302.269	1.664	50	20	DDGD	
C[C@]1(C(=O)NCc2ncc(C(=O)O)s2)C[C@H]1Br	1593756039	AHNQTDTYPHNDAM-LDWIPMOCSA-N	319.180	1.631	50	20	DDGD	
O=C(NCC(Cl)Cl)Nc1cccc(-c2nn[nH]n2)c1	1593008664	RFJSHMVMTIWRRM-UHFFFAOYSA-N	301.137	1.792	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@H]1C(=O)O)Nc1ccc(Cl)cc1	1594783301	YYHVVIQGOBQPRN-NXEZZACHSA-N	311.725	1.604	50	20	DDGD	
CCC(C)(C)C(=O)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1590371491	BNRLCOYVBLLZEZ-UHFFFAOYSA-N	302.338	1.315	50	20	DDGD	
CC(CC1(C(=O)O)CCC1)=NNC(=O)c1cn2c(n1)CCCC2	1776105586	UAMNJTLZHRJQNP-UHFFFAOYSA-N	318.377	1.970	50	20	DDGD	
O=C(NN=Cc1ccnc(O)c1)Nc1ccc(C(=O)O)cc1	1776045681	DQTRKNZHQHHZEM-UHFFFAOYSA-N	300.274	1.641	50	20	DDGD	
Cc1ccnc(N)c1C=NNC(=O)Nc1ccc(C(=O)O)cc1	1776046073	ZSECFWGRQWGVRY-UHFFFAOYSA-N	313.317	1.826	50	20	DDGD	
O=C(NN=Cc1cnn2ncccc12)Nc1ccc(C(=O)O)cc1	1776045607	ZGUGWFTYGSBYHM-UHFFFAOYSA-N	324.300	1.583	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2cn3ccccc3n2)cc1	1776099582	OABWJSIEVIWZMK-UHFFFAOYSA-N	308.297	1.796	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CSc2ccccn2)cc1	11709542	IQWXWBCWHPIYSA-UHFFFAOYSA-N	301.371	1.943	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccccn2)cc1[N+](=O)[O-]	17328962	YSGCFIYKSXCXGM-UHFFFAOYSA-N	316.273	1.073	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2ccc(F)cc2Br)N1	153782767	AHBIBUJXZASNLR-SECBINFHSA-N	316.130	1.310	50	20	DDGD	
CC[C@H]1CCCCN1CCNC(=O)NNC(=O)c1ccc[nH]1	154085956	LTCJHZDQDMZVMZ-LBPRGKRZSA-N	307.398	1.223	50	20	DDGD	
COCCC1(C(=O)NNC(=O)COc2ccc(C)cc2)CCC1	157475519	UYVNLVHVHOJDHL-UHFFFAOYSA-N	320.389	1.728	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)c1cccs1	8184974	BQCBPIACILWNJS-UHFFFAOYSA-N	313.379	1.424	50	20	DDGD	
CCN(CC)CC(=O)NNC(=O)c1cccc2ncccc12	106814237	QOMRWEFCGNDJIP-UHFFFAOYSA-N	300.362	1.338	50	20	DDGD	
CN(CCNC(=O)NNc1cncc(Cl)n1)C1CCCC1	105294048	FSXQNEPWUUAFJI-UHFFFAOYSA-N	312.805	1.631	50	20	DDGD	
CNC(=O)NNC(=O)c1sc(-c2ccccc2)cc1OC	56377303	BCEPDQSDWCLONQ-UHFFFAOYSA-N	305.359	1.998	50	20	DDGD	
CCN(C)[C@@H](C(=O)NNC(=O)[C@@H]1CCCO1)c1ccccc1	103189386	YDZNOQDLYWUHIG-UONOGXRCSA-N	305.378	1.006	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NC[C@@H]1CCCOC1	170799467	XLTJUYVMRFHBOA-HNNXBMFYSA-N	319.405	1.766	50	20	DDGD	
C[C@@]1(Cn2nnnc2N2CC[C@H](F)C2)C[C@H]1Br	1344955468	KXHWNKNCEANRND-XKSSXDPKSA-N	304.167	1.395	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNc2nccnc2Cl)c1	114897185	QYBAMNBLRVVNBG-UHFFFAOYSA-N	306.709	1.674	50	20	DDGD	
CC(C)(C)OC(=O)NCC1CCC(=NNC(=O)CCO)CC1	1345368204	QTIWMNINHCFWPQ-UHFFFAOYSA-N	313.398	1.556	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNC(=O)NCC2CC2)s1	68455915	FCLNVPYJHRHFND-UHFFFAOYSA-N	309.391	1.760	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn(CC(C)C)c2C)o1	126079428	LJNNYQUJAKDFCN-UHFFFAOYSA-N	304.350	1.824	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCc1scnc1C	67479906	MJVVFVOYBZQTIK-UHFFFAOYSA-N	320.374	1.604	50	20	DDGD	
CC(C)n1ncc2cc(C(=O)NNC(=O)NC3CC3)cnc21	64427916	RYWVNIPZURMMCX-UHFFFAOYSA-N	302.338	1.119	50	20	DDGD	
Cc1cccc(Nc2ccccc2C(=O)NNC(=O)CO)c1C	180958480	ZUCLOSINMYOOBD-UHFFFAOYSA-N	313.357	1.800	50	20	DDGD	
C=C[C@](C)(CCOC)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	187739380	BBOJYYRNSZNFOC-OAHLLOKOSA-N	321.333	1.585	50	20	DDGD	
CCOc1ncccc1CNS(=O)(=O)CCCCCl	184365058	HSBNFIPIGSDFHE-UHFFFAOYSA-N	306.815	1.919	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1c(O)cccc1F	184582161	PHJLPGKZYRTFAT-UHFFFAOYSA-N	302.305	1.925	50	20	DDGD	
CCN1C[C@H](C(=O)NNc2cccc3c2CCCC3)CC1=O	120211997	FJXRNYREAMANIC-CYBMUJFWSA-N	301.390	1.877	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c(C)c1	73067745	LECWJXGVZYWQEE-NFAWXSAZSA-N	317.389	1.430	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Cc1ccc(-c2ccccc2)cc1	75653146	JAAOXNGTSYQFAI-UHFFFAOYSA-N	311.385	1.605	50	20	DDGD	
Cc1cnn(CCC(=O)NNc2cccc(S(C)(=O)=O)c2)c1	181124429	PRXAATYZYLEOBB-UHFFFAOYSA-N	322.390	1.128	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccoc2)cc1C	120394224	GVTMTHJMTHTMDC-UHFFFAOYSA-N	315.329	1.225	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CC[C@H](N2CCCC2)C1	188375397	ULKHTNILIJTZQH-SFKKXYGYSA-N	311.385	1.996	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(OC)ccc1Br	49165924	BCQIYVGJOSFOGQ-UHFFFAOYSA-N	316.155	1.422	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCC[C@@H]2CCO)cc1	188473208	UUJBUXAVOZSTKD-TZMCWYRMSA-N	316.361	1.053	50	20	DDGD	
CCCc1ccccc1NC(=O)C(=O)NNc1cc(C)ncn1	190144081	PUNQUPUHXRIYOJ-UHFFFAOYSA-N	313.361	1.819	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C(C)(C)C)c1ccc2c(c1)CC(=O)N2	193370776	BDXIKEUPZSDODW-VIFPVBQESA-N	318.377	1.619	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](c1nc(C)cs1)C1CC1	80438776	HEPZHIRUYNEGLM-LLVKDONJSA-N	312.395	1.270	50	20	DDGD	
Cc1ccccc1-n1ncc(C(=O)NNC(=O)N(C)C)c1C	194919289	QBXANDRETZTWEL-UHFFFAOYSA-N	301.350	1.405	50	20	DDGD	
CSCCNC(=S)NNC(=O)Cc1ccc(F)c(F)c1	94120746	MGBQHBFMIVSBLL-UHFFFAOYSA-N	319.402	1.366	50	20	DDGD	
CC(=NNC(=O)CNc1ccc(C)cc1)c1csc(N)n1	254826079	UGIFBQZKDZBDSZ-UHFFFAOYSA-N	303.391	1.986	50	20	DDGD	
Cc1nc2cc(F)cc(C(=O)NNC(=O)C3CCC3)c2nc1C	264800678	UEVCEJFLXDJDLO-UHFFFAOYSA-N	316.336	1.947	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)CC#N)cc1OC	274585099	GFOQQKVYZBEQTB-UHFFFAOYSA-N	305.334	1.549	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)COC(C)(C)C)c1	272222638	PUWNCGFQFTUYQC-UHFFFAOYSA-N	309.366	1.070	50	20	DDGD	
C=C(CBr)CN1CCN(c2nc(C)ns2)CC1	279801503	WLOSCTXYYVGQFZ-UHFFFAOYSA-N	317.256	1.920	50	20	DDGD	
COc1c(C)ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)c1C	273645288	DIDZSJMLFHZYGM-UHFFFAOYSA-N	321.377	1.444	50	20	DDGD	
CCNC(=O)CCCC(=O)NNc1cccc(C(=O)OC)c1	272833780	PDDLCSRJZWXMKB-UHFFFAOYSA-N	307.350	1.223	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1ccc(C(C)C)cc1	274182395	PCBGCOHNJBUBSF-UHFFFAOYSA-N	305.378	1.942	50	20	DDGD	
COCCC1(C(=O)NNC(=O)CSc2ccccc2O)CC1	270739154	WZRVHDDVPOIHEW-UHFFFAOYSA-N	324.402	1.448	50	20	DDGD	
COc1cccc([C@@H](O)CNS(=O)(=O)CBr)c1	272779757	HISTYZICAUCICW-JTQLQIEISA-N	324.196	1.000	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)[C@@H]1C[C@@]12CCOC2	375184737	RQDNZHJJNQWDMX-SUMWQHHRSA-N	313.357	1.215	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NNc2ccccc2[N+](=O)[O-])C1	274608841	NFLSAKOBQCRWPC-SNVBAGLBSA-N	306.322	1.296	50	20	DDGD	
CCN1CCOC[C@@H]1C(=O)NNc1nc2ccccc2cc1C	371520296	RTBXFNYXVAJZCG-OAHLLOKOSA-N	314.389	1.707	50	20	DDGD	
COc1ccc(NNC(=O)CSc2nc(C)cc(C)n2)nc1	275688240	XNLWYQPAGJOBND-UHFFFAOYSA-N	319.390	1.732	50	20	DDGD	
CCCC[C@H](C)C(=O)NNc1nccc(N2CCOCC2)n1	282327149	WMUJNTHAOSYVQU-LBPRGKRZSA-N	307.398	1.583	50	20	DDGD	
CO[C@@H](C(=O)NNC(=S)Nc1cc(C)ccc1F)C1CC1	280737460	JLEVYLODVCQPOJ-GFCCVEGCSA-N	311.382	1.877	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C(C)(C)N2CCOCC2)c1	283161664	KBXGYXXZJCCPJA-UHFFFAOYSA-N	311.357	1.388	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2CCCC23CCOCC3)nn1	282882464	PWGWHDGXJDUARO-LBPRGKRZSA-N	305.382	1.760	50	20	DDGD	
COCCN(C)NC(=O)/C=C/c1ccc(N2CCOCC2)cc1	288292346	BHKUAKZWIMQCEE-VMPITWQZSA-N	319.405	1.146	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H]2CCO[C@@H](C(C)C)C2)n1	280254565	KVOXJAQQQDOOQO-GXTWGEPZSA-N	320.393	1.538	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cc([C@H]2CCCOC2)nn1C	280208265	QANCNVBUSPIPJZ-MNOVXSKESA-N	323.397	1.513	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)c1cccc2ncccc12)OC	290973685	ORSZWYATBPCIAN-LLVKDONJSA-N	316.361	1.604	50	20	DDGD	
Cc1c(NNC(=O)[C@H]2CCCC23OCCO3)cccc1[N+](=O)[O-]	807120745	KSOSXCRDJNBQDN-LLVKDONJSA-N	321.333	1.890	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)COC(F)F)cc1	803155924	CLDKPBJFPYWSDW-UHFFFAOYSA-N	319.333	1.642	50	20	DDGD	
C[C@@H](CCO)C1(CNC(=O)NNc2ncncc2F)CCC1	293166487	XSUKXZOCLKHPQE-JTQLQIEISA-N	311.361	1.431	50	20	DDGD	
CSC[C@H](C)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802118732	KWBXNIHJXYPHFX-JTQLQIEISA-N	310.423	1.904	50	20	DDGD	
O=C(NCc1ccc(F)c(F)c1)NNC(=O)[C@@H]1CCCCO1	297368981	VQOMYHOSIMJRRT-LBPRGKRZSA-N	313.304	1.364	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1COCCO1	298766781	FOXYLTNUIFQFBY-SNVBAGLBSA-N	301.686	1.107	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)Cc2ccncc2)n(C)c1C	800813895	MBDPCZOMTZAALN-UHFFFAOYSA-N	314.345	1.208	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@](C)(O)CCc1ccccc1	801140472	NBPSKTJRNAWUKJ-INIZCTEOSA-N	307.394	1.501	50	20	DDGD	
O=C(NNC(=O)c1ccc[n+]([O-])c1)Nc1ccc(Cl)cc1	802015101	CBMCIATYNOEYFN-UHFFFAOYSA-N	306.709	1.440	50	20	DDGD	
COc1cccc(NNC(=O)c2cc(CN3CCCC3)on2)n1	291934950	OTSAYEQHVQDWSJ-UHFFFAOYSA-N	317.349	1.431	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H](c2ccccc2)OC1=O)c1ccc[nH]1	809549048	RIHFLEGGKYVVTJ-YPMHNXCESA-N	313.313	1.080	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NC[C@H]1C[C@@H]1C	298732873	MIQBQQIOHIGSGW-WCQYABFASA-N	305.378	1.614	50	20	DDGD	
CCC[C@@H](CNC(=O)NNc1cccc(C(=O)OC)c1)OC	297541829	IXSIOIBLVRKENJ-ZDUSSCGKSA-N	309.366	1.914	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cc(Cl)c2ccccc2n1	294678825	PIERQBGQXZQWOM-ZDUSSCGKSA-N	319.748	1.828	50	20	DDGD	
CC(C)(C)C(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)cn1	294518341	YIZDVTTUDGRGDB-UHFFFAOYSA-N	304.350	1.237	50	20	DDGD	
O=C(COc1cccnc1)NNc1ccc2c(=O)[nH]ccc2c1	803433702	PVQWVWCCJLMTCX-UHFFFAOYSA-N	310.313	1.445	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)[C@@H]2CCCO2)c(C)cc1C	297244129	WQMLCNINZRUBOF-LBPRGKRZSA-N	307.350	1.644	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cc(C)cc(C)n2)cc1	801601742	MMQZETULOCXCEV-UHFFFAOYSA-N	312.373	1.880	50	20	DDGD	
Cn1ncc2c1CCC[C@H]2NC(=O)NNc1ncncc1F	292582266	ALTUTVOSJBWNLV-SNVBAGLBSA-N	305.317	1.053	50	20	DDGD	
CN(C)C1(CNC(=O)NNC(=O)c2ccc[nH]2)CCCCC1	298644371	JZGHSGFWWNNJEW-UHFFFAOYSA-N	307.398	1.223	50	20	DDGD	
CCCN(NC(=O)C(C)(C)NC(C)=O)C(=O)OC(C)(C)C	804592350	ITTPNGWMLITWKK-UHFFFAOYSA-N	301.387	1.579	50	20	DDGD	
CSSCCNC(=O)NCc1ncccc1N(C)C	292366295	KYVDMSDWTIXUMG-UHFFFAOYSA-N	300.453	1.958	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNC(=O)Nc1ccc(Cl)cc1	802022706	FPRCJDYMCKQYBL-SNVBAGLBSA-N	317.798	1.607	50	20	DDGD	
CN(NC(=O)CCC(=O)c1ccccn1)C(=O)OC(C)(C)C	297022734	AGIWLKLPTJCGJP-UHFFFAOYSA-N	307.350	1.943	50	20	DDGD	
Cc1[nH]c(C=NNC(=O)[C@H](C)CN2CCCCC2)cc1C(=O)O	800808071	FFFKXLREVHFXCN-LLVKDONJSA-N	320.393	1.593	50	20	DDGD	
CC[C@@H](C)[C@@H](CNC(=O)NNC(=O)c1ccc(C#N)cc1)OC	296281502	IGBUEQPFWOJQRX-BXUZGUMPSA-N	318.377	1.563	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@H]2CCCCO2)cn2ccnc12	297015266	QBRVPLMFHOCWAB-GFCCVEGCSA-N	317.349	1.365	50	20	DDGD	
O=C(CO)NN=C1COc2c(Br)cc(Cl)cc21	814896267	QNJPZXVKACKCKH-UHFFFAOYSA-N	319.542	1.308	50	20	DDGD	
Cn1ncc(CCCNC(=O)[C@H](Br)C(C)(C)C)n1	817990371	ONLFHEIXEQCPJH-JTQLQIEISA-N	317.231	1.674	50	20	DDGD	
CNC(=O)NN=C(C)c1ccc(OCCCC(=O)O)c(OC)c1	814814207	BFYAZIFPWJMZOT-UHFFFAOYSA-N	323.349	1.592	50	20	DDGD	
CC(C)[C@H](NS(=O)(=O)CBr)C1(CO)CCC1	813720855	KBTOGSRSNXNDOD-VIFPVBQESA-N	314.245	1.445	50	20	DDGD	
COc1cnc(C(=O)NNC(=O)c2cc3c(s2)CCC3)nc1	814729462	QRAJIUHRMDIECV-UHFFFAOYSA-N	318.358	1.110	50	20	DDGD	
Cc1cc(C)n2nc(C)c(C(=O)NNc3ncncc3F)c2n1	817078786	USNKDXRILVAJRV-UHFFFAOYSA-N	315.312	1.341	50	20	DDGD	
CCCNC(=O)NNC(=O)CNc1cc(Cl)ccc1OC	727103858	VTHBQOLZEBDCSD-UHFFFAOYSA-N	314.773	1.501	50	20	DDGD	
CN(N=C1COc2cc(Br)c(F)cc21)C(N)=O	814891401	UBATXAUDXLOJLJ-UHFFFAOYSA-N	302.103	1.695	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C(C)c1csc(N)n1	812387185	IIUBPBBSBRKNBC-UHFFFAOYSA-N	320.374	1.653	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2CCc3cccnc3CC2)n1	817323682	HBDYMGHWCOQGJM-UHFFFAOYSA-N	311.389	1.946	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c(O)c1C	826282055	WEODSJNEMGYNSM-UHFFFAOYSA-N	324.344	1.946	50	20	DDGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)[C@H]2CCCO2)cc1	726460856	PCJOLZVRFMVAIZ-CYBMUJFWSA-N	323.418	1.970	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	822731702	LTXJVWRKDFGYIK-AEJSXWLSSA-N	320.320	1.671	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1ccc(F)c(F)c1	825942995	RRQVZEBCSRIQIV-SCZZXKLOSA-N	313.304	1.220	50	20	DDGD	
CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1cscn1	823948156	FCFOJDJSZKEAKY-UHFFFAOYSA-N	313.346	1.477	50	20	DDGD	
COCC(C)(C)CCCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	826798188	QMAOYSXRKNRVMB-NWDGAFQWSA-N	315.414	1.195	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)C1(Cc2ccccc2)CCOCC1	828808232	IKOZFPPZOQXBBW-UHFFFAOYSA-N	311.385	1.986	50	20	DDGD	
Cn1ncc(C2CC2)c1C(=O)NNC(=O)Cc1ccccc1F	826937475	NOGNPDDJYPYGSL-UHFFFAOYSA-N	316.336	1.440	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2scnc2c1	823476491	ZHLIMFRNSIVRAD-WCBMZHEXSA-N	305.359	1.482	50	20	DDGD	
O=C(O)COc1ccc(C=NNC(=O)Cc2ccccn2)cc1	729150316	YEPCECJSOYAGMR-UHFFFAOYSA-N	313.313	1.238	50	20	DDGD	
CC(C)CN(C)c1ccc(C(=O)N2CC[C@H](B(O)O)C2)cc1	585068431	AVFHKJSAQPIRBO-AWEZNQCLSA-N	304.199	1.468	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1C[C@H]1C1CCCCC1	826075939	HSURPULAJQMPFV-DOERSZECSA-N	309.410	1.711	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1ccc(F)c(F)c1	825942994	RRQVZEBCSRIQIV-PSASIEDQSA-N	313.304	1.220	50	20	DDGD	
Cc1cn(-c2ccccc2Cl)nc1C(=O)NN(C)[C@@H](C)CO	823939609	MRHAHNLOYDMRAE-NSHDSACASA-N	322.796	1.792	50	20	DDGD	
C[C@@H](NCc1ccc(B(O)O)o1)c1cccc(N2CCCC2)c1	585028406	JMOYNLHDXAQIRY-CYBMUJFWSA-N	314.194	1.410	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CCNC(C)(C)C)c1	829003840	YZEUDCFQDPZDBT-UHFFFAOYSA-N	318.446	1.764	50	20	DDGD	
OB(O)[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)s2)C1	585078895	PAJQSHLNXZGXNS-SNVBAGLBSA-N	323.614	1.835	50	20	DDGD	
CC(=O)c1ccc(NC(=S)NNC(=O)C2CCOCC2)cc1	905570414	YNARRHDARGSNIQ-UHFFFAOYSA-N	321.402	1.633	50	20	DDGD	
CSC[C@@H](NCc1cccc(B(O)O)c1)c1ccccc1	585029228	PRRZXCHBIHESHW-MRXNPFEDSA-N	301.220	1.560	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccsc1C#N	907196062	MSETZYGSPNKKRK-UHFFFAOYSA-N	300.434	1.092	50	20	DDGD	
CC[C@@](O)(C(=O)NN(C)[C@H](C)CO)c1cccc(Cl)c1	823924248	YRJWNCHVSKONCP-YGRLFVJLSA-N	300.786	1.281	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)NOCC2CCC2)c1	824022841	XLQMLGPYLDPDEP-UHFFFAOYSA-N	323.349	1.380	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(OC)nc2ccccc12	823950155	DLOBAWRYQVKPSS-UHFFFAOYSA-N	302.334	1.597	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1CCN(c2ccccc2)C1	822193559	DOCQGPDWUVSTOG-LBPRGKRZSA-N	304.419	1.194	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc3ccccc3n2)CO1	827606920	OEMQCQKKTVMJRR-ZYHUDNBSSA-N	314.345	1.356	50	20	DDGD	
COc1ccc(OC(C)(C)C(=O)NNC(=O)NC2CC2)cc1	823767209	CMGPGGDBTLMHIA-UHFFFAOYSA-N	307.350	1.345	50	20	DDGD	
COc1ccccc1/C(C)=C\C(=O)NN=c1[nH]ccnc1OC	588466751	KOPMPCDZHWUCJB-KHPPLWFESA-N	314.345	1.462	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C2(Br)CC2)n1	820502358	OWEQUJPJOJDESF-UHFFFAOYSA-N	301.144	1.164	50	20	DDGD	
Cc1ncc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)s1	826329796	RWTRKSIQUJPUAV-UHFFFAOYSA-N	301.335	1.389	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NN(C)[C@H](C)CO	823917999	PPXZHJZHSMBYJI-VXGBXAGGSA-N	317.430	1.366	50	20	DDGD	
Cc1cnn(C)c1C=NNC(=O)CCCNC(=O)OC(C)(C)C	495678336	YBFMTCGBURNERK-UHFFFAOYSA-N	323.397	1.484	50	20	DDGD	
C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CCC[C@@H]1c1ccccc1	732532708	NVCRGXAEOWDYEO-DGCLKSJQSA-N	323.418	1.364	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1cccc2c1CCO2	836581078	FROBXIRESKIMKD-ZDUSSCGKSA-N	305.334	1.343	50	20	DDGD	
Cc1ccc2c(c1)[C@H](NC(=O)NNC(=O)c1cnn(C)c1)CC2	735511695	BWETYDGLQXHIFQ-CQSZACIVSA-N	313.361	1.360	50	20	DDGD	
CC(CS(=O)(=O)c1ccccc1)=NNC(=O)c1cnccn1	735406588	HNSKBFABUHKCBV-UHFFFAOYSA-N	318.358	1.056	50	20	DDGD	
COC(=O)CSCc1cccc(NC(=O)NNC(=O)O)c1	737628270	OGSJUEATNLVCSQ-UHFFFAOYSA-N	313.335	1.397	50	20	DDGD	
COCC(COC)N1CCN(C[C@@H](C)CBr)CC1	839624057	VUOVVBTYUBZASE-LBPRGKRZSA-N	323.275	1.296	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N(CCC1CC1)CC1CC1	585008255	HRRBEGNBMQMTQJ-UHFFFAOYSA-N	305.158	1.158	50	20	DDGD	
COc1cc(C)cc(C(=O)NNC(=O)CC(F)(F)F)c1O	730279874	HYFCDMBAFGOSBK-UHFFFAOYSA-N	306.240	1.423	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)CSCC(=O)O)cc1	738730412	JLOHSHCJGRCYKX-UHFFFAOYSA-N	324.402	1.563	50	20	DDGD	
COCCN(C)NC(=O)[C@H](O)c1cccc(C(F)(F)F)c1	837628484	YPNRXCJLUJOPMH-LLVKDONJSA-N	306.284	1.348	50	20	DDGD	
O=C(NCC[C@@H]1C[C@H]2CC[C@H]1C2)NNC(=O)[C@H]1CCCCO1	836271284	ZFHKDBNRIGLEFZ-IGQOVBAYSA-N	309.410	1.712	50	20	DDGD	
CC(C)[C@@H](NC(=O)O)C(=O)NNC(=O)CCC1CCCCC1	736374928	MDWGCPLEZSPORE-CYBMUJFWSA-N	313.398	1.787	50	20	DDGD	
CN(C)CC(=O)NN=Cc1cnc2ccc(Br)cn12	735971567	LTAWHGPXYRGBFJ-UHFFFAOYSA-N	324.182	1.109	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21)c1cccc(OC(F)F)c1	906560451	YRRVAULHKXHYDN-YUSALJHKSA-N	324.283	1.274	50	20	DDGD	
CC[C@H]1CCC[C@@H](NC(=O)NNC(=O)N=c2cc[nH]cc2)C1	836319458	BAFLACVZMNYNHO-WCQYABFASA-N	305.382	1.808	50	20	DDGD	
CON(CC1CCOCC1)C(=O)[C@@]1(C)C[C@@H]1Br	908047920	CLNCPFPZNMXJNB-JQWIXIFHSA-N	306.200	1.977	50	20	DDGD	
C[C@]1(C(=O)NCCc2nnc3ccccn23)C[C@H]1Br	905397483	XEFBNZMELIGISQ-RNCFNFMXSA-N	323.194	1.562	50	20	DDGD	
CC(C)[C@H](NC(=O)O)C(=O)NN=c1cc[nH]c2ccccc12	736375288	NPJBNXSQOHPRMO-ZDUSSCGKSA-N	302.334	1.392	50	20	DDGD	
O=[N+]([O-])c1ccc(N2CC[C@@H](B(O)O)C2)nc1-c1ccccc1	585079170	UCDLZTBPJFTQNY-GFCCVEGCSA-N	313.122	1.710	50	20	DDGD	
C[C@H]1CCCN(C(C)(C)CNCc2ccc(B(O)O)cc2F)C1	585018807	SWYNQVQISJPMCI-ZDUSSCGKSA-N	322.233	1.106	50	20	DDGD	
COCCN(C)NC(=O)Cc1cc(Br)ccc1C	837626550	KJGSLFLDFGWIGS-UHFFFAOYSA-N	315.211	1.909	50	20	DDGD	
Cc1cccc(NC(=O)NCC(=O)NNC(=O)C2CCC2)c1	732141776	PWUBWIPJTCLPOK-UHFFFAOYSA-N	304.350	1.064	50	20	DDGD	
CC1(C)C[C@H]1CNC(=O)NNC(=O)COc1ccc(C#N)cc1	732894224	YUAGOXISHSDNRK-LBPRGKRZSA-N	316.361	1.314	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)CO[C@H]2CCC[C@H](C)C2)n1	732950175	SBGVSFOQMJPOQV-FZMZJTMJSA-N	322.409	1.243	50	20	DDGD	
C=CCONC(=O)NNC(=O)COc1cc(C)ccc1C(C)C	838702890	YNOOYGZKCLQRJZ-UHFFFAOYSA-N	321.377	1.945	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)Cc2cccnc2)C[C@@H]1c1ccccc1	839653811	GYECIXLVLXZXLI-QAPCUYQASA-N	309.369	1.965	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNC(=O)NC1CCCCC1	732750440	PLRMCJYHKRQAHY-UHFFFAOYSA-N	312.414	1.346	50	20	DDGD	
CC1(C)C(=NNC(=O)NCC(=O)O)C[C@H]1OCc1ccccc1	833554691	GJHBDYJSXPFYSJ-CYBMUJFWSA-N	319.361	1.742	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)[C@@H](C)Oc1ccc(F)cc1	732527821	KNOIUQHLJFJULN-SNVBAGLBSA-N	316.354	1.130	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NN=Cc1cn2ccccc2n1	918709402	ICNCMVBENJUAIR-UHFFFAOYSA-N	318.340	1.834	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1scnc1C1CC1	831588643	HGWWVEZLGRKBOQ-IONNQARKSA-N	310.379	1.598	50	20	DDGD	
O=C(NC[C@H]1CC1(Cl)Cl)NNC(=O)c1ccccc1O	915909376	YPFGCIXANPHACO-SSDOTTSWSA-N	318.160	1.530	50	20	DDGD	
Cc1ccc(O[C@@H](C)C(=O)NNc2ccnc(N(C)C)n2)cc1	740102849	GRBZJLBEKDGGID-LBPRGKRZSA-N	315.377	1.762	50	20	DDGD	
CS(=O)(=O)c1ccc(C=NNC(=O)c2ccncc2)cc1	918150978	KUPIEFAIQDKUEK-UHFFFAOYSA-N	303.343	1.249	50	20	DDGD	
C[C@H](COCC(=O)NNC(=O)c1ncccn1)c1ccccc1	844584554	AWNHEVFBAFBJEC-GFCCVEGCSA-N	314.345	1.058	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cc(C(N)=O)c[nH]1	749366982	MTXCXIYTEGIJNJ-UHFFFAOYSA-N	305.246	1.250	50	20	DDGD	
C[C@H]1CC(=NNC(=O)Cc2nc3ccccc3n2C)CCN1C	741456117	HVHUMHNNTACYKQ-LBPRGKRZSA-N	313.405	1.702	50	20	DDGD	
CC(=NNC(=O)Cn1nc(C)cc1C)c1cnn(C(C)C)c1	746683051	QTWBJCSGAHXZMK-UHFFFAOYSA-N	302.382	1.818	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	843642102	VNWHFMHUMYRPAJ-DYRRBWJHSA-N	304.346	1.281	50	20	DDGD	
CC(C)COc1ccccc1NC(=O)NNC(=O)CCCN	841064403	FWUIQJTYHMSONJ-UHFFFAOYSA-N	308.382	1.613	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1	910162033	BZBSVJUAJQIPJA-CZUORRHYSA-N	323.412	1.524	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)ccc1C	843654945	KNULLNOUVOQRQA-YPMHNXCESA-N	304.346	1.384	50	20	DDGD	
CCCNC(=O)NNC(=O)c1c(C)nn(CCCl)c1C	746170993	OGMZLGDYGAYAOH-UHFFFAOYSA-N	301.778	1.093	50	20	DDGD	
C[C@H](CCCCN)NC(=O)NNC(=O)COCc1ccccc1	841998076	YVGJWOVHDVQDDX-CYBMUJFWSA-N	322.409	1.051	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1CCCC[C@@H]1CN	841950594	UWWXFCLSLADTTG-OCCSQVGLSA-N	304.394	1.457	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1cc(F)ccc1F	748253105	JWUZVEAYHVAIRB-SNVBAGLBSA-N	300.305	1.857	50	20	DDGD	
O=C(NCCNC1CC1)NNC(=O)Nc1ccc(Cl)cc1	841930817	XSYKBIILRXQYRV-UHFFFAOYSA-N	311.773	1.428	50	20	DDGD	
CC(C)(CNC(=O)NNc1cncc(Cl)n1)OCC1CC1	840425887	DDJKIJDGCCOSBY-UHFFFAOYSA-N	313.789	1.961	50	20	DDGD	
Cc1noc(C(F)(F)F)c1C(=O)NNC(=O)C1CCCC1	746122183	SUTFBUKCLJDDDN-UHFFFAOYSA-N	305.256	1.953	50	20	DDGD	
CNC(=O)NN=C(C)c1nnn(-c2ccc(Cl)cc2)c1C	747611160	PXNQNMFDNJTRFF-UHFFFAOYSA-N	306.757	1.882	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2COCc3ccccc32)o1	842187850	BBUIUPWVOVRTFK-ZDUSSCGKSA-N	315.329	1.804	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccc(Cl)c(Cl)c1	841001177	IXVGZJCVBMLKNZ-UHFFFAOYSA-N	305.165	1.885	50	20	DDGD	
O=C(NC[C@H]1CCCN1)NNC(=O)Nc1cc(F)cc(F)c1	841937713	VSNYIHNWWWRRSA-SNVBAGLBSA-N	313.308	1.053	50	20	DDGD	
O=C(CC1C2CC3CC(C2)CC1C3)NNC(=O)N1CCOCC1	845337600	YQIPVHQIQCXSFY-UHFFFAOYSA-N	321.421	1.522	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc2n[nH]cc2c1	746602137	YPEOMEMKAUAFMF-UHFFFAOYSA-N	310.313	1.646	50	20	DDGD	
O=C(Cc1ccncc1)NN=C1CCN(c2cnccn2)CC1	747642820	ZFRQOBJPSOZWRB-UHFFFAOYSA-N	310.361	1.187	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCC2(C#N)CCC2)c(F)c1	842201092	ROGUXMDDPYWITN-UHFFFAOYSA-N	320.324	1.932	50	20	DDGD	
CC(C)(C)OC(=O)[C@H](C(=O)NNC(=O)C1CC1)C1CCCC1	854180505	MIDNAAOIFICNCI-LBPRGKRZSA-N	310.394	1.692	50	20	DDGD	
CC(=O)NNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C	929182751	PXIXLYWYFUIWGC-SNVBAGLBSA-N	301.387	1.483	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCn2cncc2C1)c1ccccc1F	750828176	LWQQWWUURJLUEM-JTQLQIEISA-N	302.309	1.046	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1sc(C)nc1C	751213534	ZZGFKAHDAYRJQJ-UHFFFAOYSA-N	306.413	1.053	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)[C@H]2CC[C@H](C3CCC3)CC2)CC1	854382096	YFUDTHBUUNMWBJ-SHTZXODSSA-N	322.453	1.581	50	20	DDGD	
CCn1nccc1NC(=O)NNC(=O)CCc1ccccc1	757903689	YXXULZPSHSJEMP-UHFFFAOYSA-N	301.350	1.689	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](C)Oc1ccccc1Cl	854927032	UUPMMNLTVCXJPE-QMMMGPOBSA-N	301.799	1.575	50	20	DDGD	
NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C[C@@H](CBr)C1CC1	859272102	MVNDPHRYOKDUAQ-LOWDOPEQSA-N	315.255	1.993	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@H]2C=NNC(=O)[C@H]2CCCCO2)cn1	853353178	SQGYHGMGVGTEFL-NWANDNLSSA-N	320.393	1.559	50	20	DDGD	
CN(C)Cc1ccsc1C(=O)NNC(=O)c1ccccn1	756081537	SWNYEMQQCQMDAU-UHFFFAOYSA-N	304.375	1.280	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cc2ccccc2n1C	853311520	WCBDVPUWUAXXMA-UHFFFAOYSA-N	314.389	1.933	50	20	DDGD	
O=C(NN=Cc1cnc([C@H]2CCCO2)s1)N1CCOCC1	755673627	QOVWXNUSHWUYMN-LLVKDONJSA-N	310.379	1.370	50	20	DDGD	
CCOCC(=O)NN=Cc1cncc(Br)c1C	853305250	UGPRAZZHSHXZOR-UHFFFAOYSA-N	300.156	1.639	50	20	DDGD	
CCn1c(S)nnc1CCNC(=O)NNc1ccccc1	854158565	XIOVXGAGKMCAKA-UHFFFAOYSA-N	306.395	1.456	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)c2cc(C)cs2)C[C@H](C)O1	858705395	FEIMWEIVXVKGGB-QWRGUYRKSA-N	311.407	1.910	50	20	DDGD	
CC(C)(CNC(=O)NNc1ccc(Cl)cn1)S(C)(=O)=O	852173666	WJJROLRTJAYBEE-UHFFFAOYSA-N	320.802	1.184	50	20	DDGD	
CSC(C)(C)C(=O)NNC(=O)COc1cc(C)ccc1C	854191403	GRIDIWVQBUWHAG-UHFFFAOYSA-N	310.419	1.971	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@H](C)N2CCCCC2)c1	858276933	CLJAXITWPVKWDJ-LBPRGKRZSA-N	324.450	1.875	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc2oc(N(C)C)nc2c1	757719737	CSHGTRYEAOOQDR-UHFFFAOYSA-N	321.337	1.083	50	20	DDGD	
CC1(CNC(=O)NC[C@@]2(C)C[C@H]2Br)CCNCC1	857104456	SSZNCYJYXGFALD-ZWNOBZJWSA-N	318.259	1.849	50	20	DDGD	
CCN1CCC(=NNC(=O)CCCNC(=O)C(C)(C)C)[C@H](C)C1	853409313	UKUPYQIFLMYEEJ-CYBMUJFWSA-N	324.469	1.763	50	20	DDGD	
Cc1nc(C)c(NC(=O)NNC(=O)Cc2ccncc2)s1	757592930	VGJDWYUDTFLKEQ-UHFFFAOYSA-N	305.363	1.550	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNc1ccc(Br)cc1	920441684	PPSWRMDGUORIID-MRVPVSSYSA-N	314.183	1.807	50	20	DDGD	
O=C(Cc1ccccc1CO)NNC(=O)OCC(F)(F)F	856022938	RFPUGMLDJZDNOJ-UHFFFAOYSA-N	306.240	1.041	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2ncccc2[N+](=O)[O-])C1	759294981	YAWXGUHGXJZSPU-NXEZZACHSA-N	322.321	1.412	50	20	DDGD	
CCC(CC)n1nc(C)cc1C(=O)NNC(=O)c1cc[nH]n1	855357693	PIGILWJEJFUUFW-UHFFFAOYSA-N	304.354	1.351	50	20	DDGD	
C[C@@]1(CNC(=O)N[C@@H]2C=C[C@H](CO)C2)C[C@H]1Br	856840636	SFJAYZWXWQDKPZ-XNDJQWLSSA-N	303.200	1.396	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ccc2nsnc2c1	753425180	PDDJUXODVSIRTF-UHFFFAOYSA-N	316.302	1.751	50	20	DDGD	
CC(=O)N[C@H](C(=O)NC[C@]1(C)C[C@H]1Br)C(C)C	857406090	ZGSXCZDAYIPOEO-SCVCMEIPSA-N	305.216	1.437	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)NNC(=S)N[C@H](C)C2CC2)c1C	855102689	MEWUUFGNHAGUGZ-MRVPVSSYSA-N	322.434	1.742	50	20	DDGD	
CC(=O)NNC(=O)Nc1cccc(-c2nnnn2C(C)C)c1	861298056	YNVYIOIBZRVGCQ-UHFFFAOYSA-N	303.326	1.094	50	20	DDGD	
CC[C@@H](C)c1ccc(C(=O)NNC(=O)CS(C)(=O)=O)cc1	863461980	AUBUCZSHMVAGGU-SNVBAGLBSA-N	312.391	1.006	50	20	DDGD	
Cc1cccc(NNC(=O)C2(n3cnnn3)CCCCC2)n1	862518279	OKEUCUBYGUKWHJ-UHFFFAOYSA-N	301.354	1.179	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNc1cccc(S(C)(=O)=O)c1	860625082	IRWRTBZFHLNWSP-ZDUSSCGKSA-N	314.407	1.738	50	20	DDGD	
Cc1ccc(CC(=NNC(=O)CS(C)(=O)=O)C(C)C)cc1	863189163	BPCQVGPJLYMXLH-UHFFFAOYSA-N	310.419	1.710	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1cccc(OC(C)(C)C)c1	934049329	HSTGBDUHIAXUED-UHFFFAOYSA-N	308.382	1.578	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNc1ccc(S(C)(=O)=O)cc1	860315143	LCBYFQLSDSFMCT-CYBMUJFWSA-N	314.407	1.738	50	20	DDGD	
Cc1cc2cc(NC(=O)C(=O)NNC(=O)CC(C)C)ccc2[nH]1	763881757	JESWSEASSOYOES-UHFFFAOYSA-N	316.361	1.608	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@@H]1C[C@H]1C(F)(F)F	868989657	UFNVTHWIMBEHTG-GHMZBOCLSA-N	315.295	1.819	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCC(=O)Nc1cccnc1	866697368	NXNBOYDBDOQSJL-UHFFFAOYSA-N	319.814	1.205	50	20	DDGD	
CS/C=C/C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	767649601	KQNLFRRJSJHXJN-BQYQJAHWSA-N	308.359	1.176	50	20	DDGD	
C[S@](=O)CCCNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	769805601	KXTOFPBQQYZSEZ-PRTSGDIISA-N	322.268	1.825	50	20	DDGD	
CC1(C)C[C@@H](C(=O)NNC(=O)c2cn[nH]c2)c2ccccc2O1	862469564	OSRIISQCISQRPC-GFCCVEGCSA-N	314.345	1.516	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNc1ncnc(Cl)c1C(C)C	868885606	FRTNJURHSJUPOC-VIFPVBQESA-N	313.789	1.611	50	20	DDGD	
COc1cccc(OC)c1C(=O)NNC(=O)c1ccccn1	866655522	BHWNGHIKOOMUKR-UHFFFAOYSA-N	301.302	1.174	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(F)cc(C(=O)OC)c1	930717270	JQRGSEQKVIBTLM-UHFFFAOYSA-N	311.313	1.356	50	20	DDGD	
O=C(CCNC(=O)c1ccco1)NNc1nc2ccccc2[nH]1	768496853	WZJKBWCHMGRZBC-UHFFFAOYSA-N	313.317	1.419	50	20	DDGD	
COc1ccccc1SCC(=O)NN=Cc1[nH]cnc1C	761274873	WENKZYBXVXOILG-UHFFFAOYSA-N	304.375	1.969	50	20	DDGD	
O=C(NC[C@H](n1cncn1)C(F)(F)F)NNc1ccccn1	868881757	LNPLTGXAQFHMIJ-QMMMGPOBSA-N	315.259	1.103	50	20	DDGD	
C[C@H](NNC(=O)CCS(=O)(=O)C1CCCC1)C(F)(F)F	862310314	UZDXONFZXKETKU-QMMMGPOBSA-N	316.345	1.306	50	20	DDGD	
CSSCCNS(=O)(=O)c1c[nH]nc1C(F)(F)F	867243104	RHFPRBUYZNBRTJ-UHFFFAOYSA-N	321.371	1.718	50	20	DDGD	
CC(=O)c1ccc(NC(=O)C(=O)NNC(=O)C2CCCC2)cc1	764077233	NQCMVHZFQXWFPD-UHFFFAOYSA-N	317.345	1.165	50	20	DDGD	
Cc1ccc(NCc2ccccc2B(O)O)cc1OCC(F)F	863889050	PDEYVCADYVIAAA-UHFFFAOYSA-N	321.132	1.931	50	20	DDGD	
O=C1CC[C@H](C(=O)NN[C@@H](Cc2ccccc2)c2ccccc2)N1	863378386	BYUPWONTAJFWHG-SJORKVTESA-N	323.396	1.870	50	20	DDGD	
CCc1ccc(OCC(=O)NNC(=O)Cc2cc(C)[nH]n2)cc1	869013414	ZMLBRTFXBLGCRB-UHFFFAOYSA-N	316.361	1.049	50	20	DDGD	
CCC[C@]1(C)C(=O)NCCN1S(=O)(=O)CC(C)(C)CCl	867156210	MSAFEELSDPZZJM-CYBMUJFWSA-N	324.874	1.572	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(C)o2)nc1Cl	768245794	KVOCRNPVEIPXEZ-UHFFFAOYSA-N	309.709	1.720	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)NC)cnn1-c1ccc(C)cc1	760144199	AKUPDVJZEKAJTJ-UHFFFAOYSA-N	315.377	1.707	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc2nc(C)sc2c1	763440400	CKNJRISIRTYXRD-UHFFFAOYSA-N	306.347	1.101	50	20	DDGD	
CCOC(=O)COc1cccc(C(C)=NNC(=O)COC)c1	761823659	GQVLYKOQCHURQY-UHFFFAOYSA-N	308.334	1.115	50	20	DDGD	
COCCCNC(=O)NN=Cc1c(OC)cc(F)cc1OC	872345698	XCCDEJZEFJBPKY-UHFFFAOYSA-N	313.329	1.513	50	20	DDGD	
C[C@@H]1COCCN1CCNC(=O)NNc1cc(Cl)ccn1	1116566004	LPBBGDSXGWNRJV-SNVBAGLBSA-N	313.789	1.082	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)C2(C(=O)NC3CC3)CC2)nn1	1116090747	QXRKFGJNTZTDSW-UHFFFAOYSA-N	317.393	1.276	50	20	DDGD	
CC(Cl)(Cl)C(=O)OCC(=O)NNC(=O)c1ccccc1	777218454	GQOOFYAOOHMNDZ-UHFFFAOYSA-N	319.144	1.185	50	20	DDGD	
Cc1onc(CC(=O)NNc2cccc([N+](=O)[O-])c2)c1C#N	779538113	VQQXWKIOTDNEDD-UHFFFAOYSA-N	301.262	1.449	50	20	DDGD	
COCc1ncsc1C(=O)NNc1ncccc1[N+](=O)[O-]	1117394447	AHNQAMNZPAWXCH-UHFFFAOYSA-N	309.307	1.350	50	20	DDGD	
COc1c(C)ccc(NC(=O)NNC(=O)C2CCOCC2)c1C	878208043	QLMXPHNOTYIQOD-UHFFFAOYSA-N	321.377	1.891	50	20	DDGD	
C#CCCCCCC(=O)NNC(=O)COc1ccccc1F	779867611	WVDBIQXWCYJHDY-UHFFFAOYSA-N	306.337	1.936	50	20	DDGD	
COCCOCC(=O)NN=C1C[C@@H](Oc2ccccc2)C1(C)C	872400008	DWFFHNPLSJWBGT-OAHLLOKOSA-N	320.389	1.999	50	20	DDGD	
COC(=O)N(C)NC(=O)NCC1CCN(c2ccncc2)CC1	875452004	IRYDVNDSXKTBHK-UHFFFAOYSA-N	321.381	1.210	50	20	DDGD	
NC(=O)c1nccnc1C(=O)NNc1c(F)cccc1Cl	771672542	GVAHWANSNHRWAZ-UHFFFAOYSA-N	309.688	1.125	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)NNC(=S)Nc1cc(C)ccc1C	873754744	PCDZKKBFWNPZQO-UHFFFAOYSA-N	322.434	1.536	50	20	DDGD	
COc1cccc(NNC(=O)[C@H]2c3c[nH]nc3CC[C@H]2C)n1	879422693	TWEAMAIFYRNGOY-YMTOWFKASA-N	301.350	1.623	50	20	DDGD	
Cc1c(NC(=O)NNc2ncc(F)cn2)cccc1[N+](=O)[O-]	775433791	FFHIWLWPRLUJBS-UHFFFAOYSA-N	306.257	1.981	50	20	DDGD	
O=C(NNC(=O)c1cn2ccccc2n1)NC1CCCCC1	771817961	HGKRRASGXWQFJU-UHFFFAOYSA-N	301.350	1.611	50	20	DDGD	
CNc1cc(Cl)ccc1C(=O)NNC(=O)C1CCOCC1	883071837	OSWXWKRISNJXQL-UHFFFAOYSA-N	311.769	1.569	50	20	DDGD	
Cc1cc(=NNC(=O)Nc2cc(CN(C)C)ccn2)cc[nH]1	880602862	HYIBQHPITODCCG-UHFFFAOYSA-N	300.366	1.417	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(F)cc1Cl)N1C(=O)CCC1=O	885136231	XZFHBZKHJDPFNH-SSDOTTSWSA-N	313.716	1.460	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21)c1ccccc1	1120604106	FCZIQAQJEQQNDX-KBUPBQIOSA-N	302.374	1.753	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccn(C(F)F)n1)C1CC1	775792554	UWNCKYVGVXIBHK-ZCFIWIBFSA-N	303.338	1.186	50	20	DDGD	
CC#CCCNC(=O)NNC(=O)c1ccc(Cl)cc1OC	776205443	LPULUXQLGUCTCM-UHFFFAOYSA-N	309.753	1.706	50	20	DDGD	
Cc1ccc(NC(=O)NNc2ncc(F)cn2)cc1[N+](=O)[O-]	775409674	NQHGQCGGHJDHOP-UHFFFAOYSA-N	306.257	1.981	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cccc(-c2ncn(C)n2)c1	771786761	VNDOYHSTLNPCES-UHFFFAOYSA-N	302.338	1.291	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](O)Cc2ccccc2Cl)o1	773272955	LTFCAQNFFPDDSV-LBPRGKRZSA-N	322.748	1.606	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)C2CCOCC2)c1Cl	883068941	NRIZIEKRCPCOEC-UHFFFAOYSA-N	302.783	1.898	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1sccc1OC(F)F	887143048	JICSMAVLJVXHSB-UHFFFAOYSA-N	302.302	1.914	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccccc1F)[C@@H]1CCCOC1	780042647	FFKZZTDXFPQQJV-WDEREUQCSA-N	309.341	1.585	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1CC(c2ccc(C)cc2)=NO1	887153242	MSOBAIPNCUGHCP-OAHLLOKOSA-N	313.357	1.439	50	20	DDGD	
CN(C)CC[C@@H](NS(=O)(=O)CBr)C(C)(C)C	782444431	KLGYTMKFJMIWAA-SECBINFHSA-N	315.277	1.625	50	20	DDGD	
C[C@H]1CC[C@H](C(F)(F)F)CN1CC(=O)NNC(=O)C(C)(C)C	780379831	PAYXUJJREZYHOK-UWVGGRQHSA-N	323.359	1.843	50	20	DDGD	
CCOC(CCNC(=O)NNC(=O)CC(F)(F)F)OCC	786914171	QWDQDXUZGFYWKG-UHFFFAOYSA-N	315.292	1.058	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	785408986	RALHPUWXJCKYCV-BGZDPUMWSA-N	308.300	1.536	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)C[C@H]1CCS(=O)(=O)C1	788185137	URXVZTFQMQHKNT-SECBINFHSA-N	316.354	1.102	50	20	DDGD	
O=C(NN=Cc1cn(-c2ccc(F)c(Cl)c2)nn1)C1CC1	782899768	QIGFKRGPTLQERS-UHFFFAOYSA-N	307.716	1.920	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccn(-c2cc(F)cc(F)c2)n1	896293405	KLAISSUPVGCOBQ-UHFFFAOYSA-N	320.299	1.712	50	20	DDGD	
CC(C)Cc1ccc(C(=O)NNC(=O)CN2CCCC2=O)cc1	789856313	FBJSGAVFWBPYHG-UHFFFAOYSA-N	317.389	1.269	50	20	DDGD	
COCCCNC(=O)NNC(=O)C[C@H]1CCO[C@@H](C(C)C)C1	781681432	JEDYJRKQUPGKQK-QWHCGFSZSA-N	315.414	1.195	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CCOCC(F)(F)F	899992485	ZEHUYPFZBSTSIK-UHFFFAOYSA-N	301.334	1.249	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NCc2cscc2C)n1	787331241	FUJAMNHOFDSLJW-UHFFFAOYSA-N	321.406	1.400	50	20	DDGD	
COc1cccc(NNC(=O)Cc2ccc(NC(C)=O)cc2)n1	780772285	INWKYMKDQOSVCR-UHFFFAOYSA-N	314.345	1.734	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cn(-c2ccc(Cl)cc2)nn1	780706428	QCFNGPOTIOKQRU-UHFFFAOYSA-N	322.756	1.227	50	20	DDGD	
O=C1NCCC[C@@H]1C(=O)NNc1cccc(C(F)(F)F)n1	896514301	QXEWOCLUOIVKFT-ZETCQYMHSA-N	302.256	1.070	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H](C)Cc2ccncc2)n1	780023956	MMPRLIUPMJWADC-NSHDSACASA-N	301.350	1.743	50	20	DDGD	
CSSCCNC(=O)NCc1nnnn1-c1ccccc1	790712605	SINHIVPBDHLENG-UHFFFAOYSA-N	324.435	1.473	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2CCCC(=O)N2C)ccc1C	899138721	WKCVMFVFZZBROQ-ZDUSSCGKSA-N	319.361	1.236	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cn(C(C)(C)C)nn1	790848822	OGUHLBIPZYELBN-UHFFFAOYSA-N	317.349	1.577	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)NCc2ccco2)cn1C	790160101	UOFOJAZBBWLKQG-UHFFFAOYSA-N	304.306	1.238	50	20	DDGD	
N#Cc1ccc(C[C@H](C#N)C(=O)NNC(=O)c2ccccc2)cc1	791442889	NCLUJXHFBCZMLB-MRXNPFEDSA-N	318.336	1.702	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)CC1CC(c2ccccc2)C1	798957094	NHXQXHOVSXLXJV-UHFFFAOYSA-N	312.373	1.684	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53	793602889	ZAKAGIJXYOSAGP-JFKOBQNLSA-N	323.396	1.166	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H](CO)c2ccccc2)n1	793228868	TWPSVPJQWXEIDE-CQSZACIVSA-N	314.345	1.068	50	20	DDGD	
O=C(/C=C/c1ccc(O)c(O)c1)NNC(=O)NCC(F)(F)F	798316050	SVUHMYDVBATDLP-DUXPYHPUSA-N	319.239	1.004	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ccc3nc[nH]c3c2)c1Cl	1319800572	HIEQVLATKFXXHV-UHFFFAOYSA-N	303.713	1.345	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)NC1(c2cccc(F)c2)CC1	1319813625	ZZHOJKZGGFNMKG-GFCCVEGCSA-N	321.396	1.986	50	20	DDGD	
Cc1ccc(OCc2nc(C=NNC(=O)CCO)cs2)cc1	1322318426	CQNHVBNZEQNIMY-UHFFFAOYSA-N	319.386	1.863	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc(OCC2CC2)nc1	1328014036	UJYLTLAKHPBOKQ-ZDUSSCGKSA-N	319.361	1.201	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)[C@@H]1COCCO1	1322547424	XTDLMVFPMDQQLE-LBPRGKRZSA-N	307.306	1.298	50	20	DDGD	
CCOC(=O)c1ncc(C(=O)NNC(=O)C2CCCC2)s1	1322855350	RDHHUUBFBKTXLM-UHFFFAOYSA-N	311.363	1.271	50	20	DDGD	
C[C@@H]1CCC[C@@H]1NC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1328519653	VMNZTLFIJRRFEG-QYTUQVAYSA-N	317.227	1.581	50	20	DDGD	
N#C/C=C\CSc1nnc(CCC(N)=O)n1Cc1ccco1	1322604212	KNOLOQOQCUGSJN-UPHRSURJSA-N	317.374	1.509	50	20	DDGD	
COC(=O)C(=O)NN=C(C)Cc1ccc(OC)c(OC)c1C	1326234162	IUVNDOGHFJFDJQ-UHFFFAOYSA-N	308.334	1.220	50	20	DDGD	
COc1cc(C(=O)NNc2ccc(C(F)(F)F)nn2)ccn1	1323006313	WSILLYPGUWBYMZ-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
NOCCCNC(=O)NNc1ccccc1OC(F)(F)F	1335704351	RILFETDZSLLBGJ-UHFFFAOYSA-N	308.260	1.492	50	20	DDGD	
C#CCCCCNC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1331076035	ADFBZMXWWOYHFM-GXFFZTMASA-N	315.211	1.196	50	20	DDGD	
CCc1nc(C)c(C(=O)NNc2ccc(-n3ccnc3)nn2)o1	1330424201	OGWUUDQXJIJRSS-UHFFFAOYSA-N	313.321	1.278	50	20	DDGD	
C[C@@]1(COC(=O)c2cc3n(n2)CCO3)C[C@H]1Br	1345266047	NXHQKOQEUKVFNJ-KCJUWKMLSA-N	301.140	1.606	50	20	DDGD	
CN1CCCC[C@@H]1CNC(=O)NNC(=O)c1ccc(Cl)cc1	1346695258	LLQWKWZFJLUJSQ-CYBMUJFWSA-N	324.812	1.768	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC(F)(F)F)cc1C	1348600636	KUZOLKBOPOWNAG-UHFFFAOYSA-N	305.256	1.510	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccc2nonc2c1	1351044870	SLKUOCLQOLSBQC-UHFFFAOYSA-N	305.363	1.132	50	20	DDGD	
O=C(O)CC[C@H](NCc1ccccc1B(O)O)c1ccccc1	1601973484	ZARJCHDFPRSFKM-INIZCTEOSA-N	313.162	1.062	50	20	DDGD	
O=C(NNc1ccc(F)cc1)c1cc(O)cc(-c2nn[nH]n2)c1	1606861192	ORLAUCOZKRMLQY-UHFFFAOYSA-N	314.280	1.468	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H](O)c2cccnc2)cc1F	1602382377	KJLJOQBJCICLCZ-LBPRGKRZSA-N	305.265	1.096	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)Nc1cnn(C(F)F)c1	1605820859	IHRYQOAMKCLTCO-UHFFFAOYSA-N	312.236	1.520	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1cnc(C(=O)O)cn1	1600302098	CPOIKMDRDQOVBP-UHFFFAOYSA-N	317.257	1.919	50	20	DDGD	
COC[C@@](C)(CC(=O)O)NS(=O)(=O)CC(C)(C)CCl	1606786427	YUOFQDABLWLDOT-LLVKDONJSA-N	315.819	1.051	50	20	DDGD	
Cc1c(NNC(=O)c2ccc(C(=O)O)o2)cccc1[N+](=O)[O-]	1607552457	KFPLPFWJIJUAQP-UHFFFAOYSA-N	305.246	1.951	50	20	DDGD	
O=C(NCCc1ccc(C(=O)O)cc1)NNC(=O)c1ccoc1	1601511473	WLDYRGKJNWEJAL-UHFFFAOYSA-N	317.301	1.165	50	20	DDGD	
O=C(O)COc1cccc(NC(=O)NNC(=O)C2CCCC2)c1	1602094127	BKCRWDMEBAUZJX-UHFFFAOYSA-N	321.333	1.493	50	20	DDGD	
CN(NC(=O)C(=O)Nc1cc(C(=O)O)cs1)c1ccccc1	1606179358	PHJOYBHKIIOJTA-UHFFFAOYSA-N	319.342	1.552	50	20	DDGD	
O=C(Cn1cc(Cl)cn1)NNc1cccc(C(=O)O)c1F	1601383810	VGWGQBWSSARSTC-UHFFFAOYSA-N	312.688	1.517	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)C1(C(=O)O)CCCCCC1	1605360544	ROAUGKMOZBYZBX-UHFFFAOYSA-N	319.361	1.576	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@H]2CC[C@H]3CCCCN32)ccc1F	1602286740	OCUQRODPNGPHFC-BXUZGUMPSA-N	321.352	1.984	50	20	DDGD	
CC(=O)N1CC[C@@](C)(C(=O)NNc2ccccc2C(=O)O)C1	1603016978	QZRKJPGYZBWRKE-OAHLLOKOSA-N	305.334	1.086	50	20	DDGD	
Cn1cc(C=NNC(=O)COc2ccccc2F)cc1C(=O)O	1600946670	UYDRVCWKZQJICG-UHFFFAOYSA-N	319.292	1.392	50	20	DDGD	
Cc1ccnc(O)c1C(=O)NNc1ccc(C(=O)O)cc1F	1607894823	IFPBCELVPXTUGW-UHFFFAOYSA-N	305.265	1.690	50	20	DDGD	
N#Cc1c(F)cccc1C(=O)NNc1ccc(C(=O)O)cn1	1610624503	WKXBQIXBQMEBCB-UHFFFAOYSA-N	300.249	1.547	50	20	DDGD	
O=C(O)[C@@H](NS(=O)(=O)CCCCCl)c1ccccc1F	1610718861	GLAXBIBUQNEXBW-NSHDSACASA-N	323.773	1.890	50	20	DDGD	
CC[C@@H](C)C[C@H](N)C(=O)NNc1ccc(C)c(C(=O)OC)c1	1576981847	LXRDSLHGPNYDEK-YGRLFVJLSA-N	307.394	1.988	50	20	DDGD	
N[C@@H](CCC(=O)NNC(=O)[C@@H]1CCCS1)c1ccccc1	1580126074	DAKBEQKOBVAAPE-STQMWFEESA-N	307.419	1.510	50	20	DDGD	
CC(=NNC(=O)c1sc(N)nc1C)c1cc(C(=O)O)co1	1589016613	CWZFCDTYZRIKMU-UHFFFAOYSA-N	308.319	1.479	50	20	DDGD	
CC(C)[C@@H](C(=O)O)C(=O)NNC(=O)c1nc2ccccc2s1	1588807606	CFJJGPAQJJLLJM-SNVBAGLBSA-N	321.358	1.414	50	20	DDGD	
C=CC[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2	1845977300	MHBHOHHLXZUONG-VXGBXAGGSA-N	314.813	1.002	50	20	DDGD	
CO/C=C(\C)C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1844180021	FWGOZYIOWRWOFQ-ZKXNXJMVSA-N	304.749	1.274	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1ccnc(-c2nn[nH]n2)c1	1591993694	YUADNPFDCTYPLJ-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
COC(=O)CCCNC(=O)NNc1ccc(F)c(C(=O)O)c1	1598852386	RQQSQJMXIBSSKK-UHFFFAOYSA-N	313.285	1.103	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H]1CCCC[C@H]1C(=O)O	1592038844	ARGZBWUGKBEZGW-WDEREUQCSA-N	306.366	1.934	50	20	DDGD	
COc1ccc2c(c1)OC(C)(C)CC2=NNC(=O)NCC(=O)O	1599630083	QQDHFZSWNNSFBY-UHFFFAOYSA-N	321.333	1.344	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2nccc3sccc23)O[C@H]1C(=O)O	1599876201	VNNSOJGAIPLOIB-BCMRRPTOSA-N	321.358	1.618	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNc2ccc(C(=O)O)cn2)cn1	1591761986	TYGPIVBHDIKFEI-UHFFFAOYSA-N	316.317	1.719	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@](C)(C(=O)O)c2ccccc2)cn1	1594535765	AHTFMSQEPKYRLV-YJJOXIQCSA-N	324.340	1.443	50	20	DDGD	
C[C@H]1C(=NNC(=O)c2cn3c(n2)CCCC3)CC[C@@H]1CC(=O)O	1776105412	FVOBFAUDDRZWTK-GHMZBOCLSA-N	318.377	1.826	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)N[C@@H]2C=CCCC2)c1	158659370	LJVLWOICQFHUPA-CYBMUJFWSA-N	302.378	1.805	50	20	DDGD	
CC(=O)N(C)CC(=O)NNc1ccccc1Br	153423817	UKPREZKDAZVUHM-UHFFFAOYSA-N	300.156	1.371	50	20	DDGD	
Cc1nccn1C[C@@H](C)CNC(=O)NNc1ccc(Cl)nn1	157455926	YBNHTDXBTQJENQ-VIFPVBQESA-N	323.788	1.597	50	20	DDGD	
CNC(=O)CCCC(=O)NNc1ccc(OC(F)(F)F)cc1	156598709	CZXKTFLEMOTYBI-UHFFFAOYSA-N	319.283	1.945	50	20	DDGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCCN1	159849661	YFCHMFYOYUEBEG-JTQLQIEISA-N	307.741	1.585	50	20	DDGD	
COc1ccc(NNC(=O)CCNC(=O)c2ccsc2)nc1	159518323	AJOLVLWUUMNCEZ-UHFFFAOYSA-N	320.374	1.415	50	20	DDGD	
COc1ccc(NNC(=O)c2cccc(C[S@](C)=O)c2)nc1	159368448	QHSKSINYGULFDM-JOCHJYFZSA-N	319.386	1.726	50	20	DDGD	
CN([C@@H](CO)Cc1ccccc1)S(=O)(=O)CBr	849408202	YKAGLUGSLXKHKC-LLVKDONJSA-N	322.224	1.204	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1cnn(C)c1	7258372	GSGXLIGSTZKZQC-UHFFFAOYSA-N	317.418	1.922	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2scnc2C)cc1	55707363	XFVZBGRNEVKGLR-UHFFFAOYSA-N	319.386	1.854	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccc(F)c(F)c2)c1	103402928	MCBYDOURZJDEAS-UHFFFAOYSA-N	301.252	1.911	50	20	DDGD	
COC(=O)N(C)CC(=O)NNC(=O)c1ccc2ccccc2c1	56078280	XGMQATYRVYJWAB-UHFFFAOYSA-N	315.329	1.299	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)CCc2ccsc2)n1	22638950	RIEUIMDSCNOCJV-UHFFFAOYSA-N	306.391	1.342	50	20	DDGD	
O=C(CCCc1nc2ccccc2c(=O)[nH]1)NNc1cnccn1	114877442	QFNMZFUOHDBGEY-UHFFFAOYSA-N	324.344	1.179	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CCCOC1	170786657	FROMKDFCJVRIJG-WDEREUQCSA-N	310.325	1.167	50	20	DDGD	
CO[C@]1(C)C[C@H](NC(=O)NNc2nc(C)cc(C)n2)C1(C)C	173718763	XLVWUZOFXNPEAD-XHDPSFHLSA-N	307.398	1.923	50	20	DDGD	
CCCCOCC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	118304267	ZWNUZDUXZOJTHW-LLVKDONJSA-N	312.341	1.557	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc(N2CCCC2=O)cc1	65197200	DQBMULIMHTYXFT-UHFFFAOYSA-N	316.361	1.167	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNC(=O)c1cccc(Cl)c1	28581630	OVQFIXVVMLZNDO-UHFFFAOYSA-N	311.769	1.263	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NC[C@H](c1cccc(F)c1)N(C)C	28805468	HFJOWTHYBFIUGM-NRMKIYEFSA-N	305.353	1.989	50	20	DDGD	
Cc1cc(NNC(=O)C(C)(C)Oc2ccc(C#N)cc2)ncn1	177909866	KKBZYDNNKXGZLC-UHFFFAOYSA-N	311.345	1.957	50	20	DDGD	
O=S(=O)(N[C@@H]1CCOC1)c1ccc(CCCCl)cc1	178827959	YJYZYMSIARRJGZ-GFCCVEGCSA-N	303.811	1.925	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2ccc(OC(F)F)cc2)CC1=O	121813308	QXIXZRBVKOAMBC-SECBINFHSA-N	313.304	1.600	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCOc1ccccc1OC	64425837	REKKVGOYWKKHSR-UHFFFAOYSA-N	309.366	1.595	50	20	DDGD	
Cn1cc(/C=C/C(=O)NNC(=O)[C@H]2CCCO2)c2ccccc21	79552121	HZXIXKWCWNXSCF-XVJNWHFHSA-N	313.357	1.518	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1cc(Cl)ccn1)C1CCCC1	182983029	WUVWVFBZARLCGS-CYBMUJFWSA-N	310.785	1.873	50	20	DDGD	
O=C(CC(=O)NNc1ccccc1[N+](=O)[O-])NCC(F)(F)F	181773421	LBQLUZORDUDZPT-UHFFFAOYSA-N	320.227	1.107	50	20	DDGD	
C[C@H](Oc1cccc(F)c1)C(=O)NNC(=O)NCC(F)(F)F	124622803	HXXDXNIMBBRMJR-ZETCQYMHSA-N	323.246	1.486	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)Nc2cccnc2)c1	183091958	MRMXJTCEHIDQLR-UHFFFAOYSA-N	306.347	1.634	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCCCN1CCOCC1	185039201	LFFRDUYOBSWYSI-UHFFFAOYSA-N	310.373	1.483	50	20	DDGD	
O=C(CCc1cccc2c1OCO2)NNC(=O)c1ccc[nH]1	184764136	BYPSUSLGOBQSNH-UHFFFAOYSA-N	301.302	1.137	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)CC1CCOCC1	78192777	HVMWHWNMBUKNDX-UHFFFAOYSA-N	306.362	1.167	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C[C@@H]1C=CCC1	71822131	HMECAGUIXCSTRV-GFCCVEGCSA-N	303.362	1.611	50	20	DDGD	
COCCC1(CNC(=O)NNc2nc3ccccn3n2)CC1	189617719	LNSHCFMSRUVHMS-UHFFFAOYSA-N	304.354	1.172	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccnc(F)c1	132876594	XSFIZPSXVDEFQZ-UHFFFAOYSA-N	303.293	1.233	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNc2nc3ccccc3c(=O)[nH]2)cc1	137202322	DCSXRUMZGZHSMA-UHFFFAOYSA-N	322.324	1.883	50	20	DDGD	
CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NNc1ccncc1	194466874	PJRXWEHPQTUFPR-VIFPVBQESA-N	304.272	1.228	50	20	DDGD	
Cc1nc(Cl)ccc1NC(=O)NNC(=O)Cc1cccnc1	194585268	PECBLUKYJUAURH-UHFFFAOYSA-N	319.752	1.834	50	20	DDGD	
CC(=O)Nc1ccc(F)c(C(=O)NNC(=O)c2ccncc2)c1	194360638	BLISSRGDWJVQKX-UHFFFAOYSA-N	316.292	1.254	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1	194511806	LCSYFIHXARWMAC-LBPRGKRZSA-N	307.325	1.512	50	20	DDGD	
COc1cccc(CCNC(=O)NNC(=O)c2ccccc2)c1	45759668	MGYVBMKRSUIZHI-UHFFFAOYSA-N	313.357	1.882	50	20	DDGD	
O=C(NNC(=O)c1ccccc1-n1cccn1)c1cccnc1	47296095	ANQATZDYAPYEOZ-UHFFFAOYSA-N	307.313	1.342	50	20	DDGD	
CCC[C@H](C)CC(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1	247481019	JMBAANPZCYOESF-IHRRRGAJSA-N	313.442	1.459	50	20	DDGD	
Cc1c(NNC(=O)c2n[nH]c3c2CCC3)cccc1[N+](=O)[O-]	269625530	UTYGZAJLXVOUPJ-UHFFFAOYSA-N	301.306	1.872	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1	265261130	CAWYYYBUAYXLDH-UHFFFAOYSA-N	322.365	1.836	50	20	DDGD	
COC(=O)CCCCCCCNC(=O)NNc1ccc(C)nn1	268460940	UFPHLYFNMLPUBD-UHFFFAOYSA-N	323.397	1.925	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C[C@H]2COC(=O)C2)c1C	268811839	JAANSWPKUADHHD-LLVKDONJSA-N	321.402	1.574	50	20	DDGD	
C[C@@H]1Oc2c(cccc2C(=O)NNC(=O)C(C)(C)C)NC1=O	264275984	TTXUSWUXUGRNTN-QMMMGPOBSA-N	305.334	1.213	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)nn1	269161898	UEDARCMFPYBASC-FZMZJTMJSA-N	323.422	1.466	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CCCS2)c(C)c1	266572327	LFZVRXWZJOBJSZ-ZDUSSCGKSA-N	307.419	1.758	50	20	DDGD	
Cc1c(NNC(=O)CCOC2CCOCC2)cccc1[N+](=O)[O-]	269587388	DVUKYCPTYHETQY-UHFFFAOYSA-N	323.349	1.932	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc2c(c1)OCO2)C1CC1	263882922	JZFRIXJVRWJFNA-QMMMGPOBSA-N	307.375	1.323	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)COc1ccccc1F	269489425	NUVUHZXXYZNBFF-NSHDSACASA-N	300.355	1.494	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNC(=O)c1ccccc1C	267922978	KOUGRCXOAGQYQL-UHFFFAOYSA-N	305.378	1.405	50	20	DDGD	
O=C(NNc1cccnn1)[C@H]1CC(=O)N(c2ccccc2F)C1	365439203	VJVCGLNNIVQHPG-JTQLQIEISA-N	315.308	1.112	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H](C(=O)NNC(=O)NCc2ccco2)C1(C)C	275435674	DMEQIRGDWKKIHZ-ZYHUDNBSSA-N	321.377	1.751	50	20	DDGD	
COC(=O)C1(C(=O)NNC(=O)C(C)(C)c2ccccc2)CC1	274269569	AGZKFMNDLSHNFQ-UHFFFAOYSA-N	304.346	1.065	50	20	DDGD	
CC[C@H]1C[C@H](CC(=O)NNC(=O)Cc2cccnc2)CCO1	273206189	OQXFQHLTXRJVEP-OCCSQVGLSA-N	305.378	1.367	50	20	DDGD	
CC[C@H]1C[C@H](C(=O)NNc2ccc(C(=O)OC)cn2)CCO1	272710522	XNJITKQLILQKOB-PWSUYJOCSA-N	307.350	1.517	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCC[C@@H]1CCCCO1	272440585	QVWRURWAJRCNKM-ZDUSSCGKSA-N	305.378	1.898	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cnn(C)c2)c(C(F)(F)F)o1	274620485	WKUKOYCFQKKTPC-UHFFFAOYSA-N	316.239	1.415	50	20	DDGD	
C[C@H]1CCCN(C(=O)C(=O)NNc2cnc3ccccc3n2)C1	277958326	MHQKTDDXMAQWOS-NSHDSACASA-N	313.361	1.331	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(OC)c(OC)cc1F	276088193	VRHIOOFJGGBAIE-UHFFFAOYSA-N	314.317	1.541	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@H]1COc2ccccc2C1	376436650	PJWCYCPXFGXDHD-CQSZACIVSA-N	324.384	2.439	50	20	DDGD	
CCOC(=O)CC(C)(C)CC(=O)NNC(=O)c1cccc(C)n1	288330265	UGNJBIWFQSDONQ-UHFFFAOYSA-N	321.377	1.521	50	20	DDGD	
C=CC[C@H](CC)NC(=O)NNC(=O)COCc1ccccc1	281311966	JZXVYFYKOFVKSI-AWEZNQCLSA-N	305.378	1.888	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)CCc1ncc[nH]1	289202969	SDWZIUAZSMSOAR-UHFFFAOYSA-N	300.362	1.513	50	20	DDGD	
CSSCCNC(=O)c1cn(Cc2ccccn2)nn1	283980850	HJFXZXJQFXDFTI-UHFFFAOYSA-N	309.420	1.462	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)c2ccc(C)cc2O)no1	294765852	FIZJXNBBEIKVBS-UHFFFAOYSA-N	303.318	1.716	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2cccnc2F)c1	807195953	BXWDJLCXDXAELR-UHFFFAOYSA-N	309.322	1.381	50	20	DDGD	
O=C(NCc1ccsc1)NNc1ccc(-n2ccnc2)nn1	804914193	SMYIXQYYKKXBPG-UHFFFAOYSA-N	315.362	1.550	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2ccc3cnccc3c2)O1	296994476	SACCUXOGLHTKDX-HZMBPMFUSA-N	314.345	1.955	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cc(Cl)c(Cl)[nH]1	802028994	IAGRMVGWCLYKDX-UHFFFAOYSA-N	314.132	1.605	50	20	DDGD	
COc1cccc(NNC(=O)Nc2ccc3c(c2)C(=O)OC3)n1	808888334	OSKXRRKNTJPABN-UHFFFAOYSA-N	314.301	1.909	50	20	DDGD	
O=C(CN(C1CCC1)C1CCC1)NNC(=O)c1ccc(F)cc1	298515228	VMASQDUUEUADBR-UHFFFAOYSA-N	319.380	1.994	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)[C@@H]1OC[C@H]2COCC[C@H]21	291431486	YNRWMNWJNIXIGL-OTPXZMOZSA-N	316.279	1.599	50	20	DDGD	
O=C(CN1Cc2ccccc2C1=O)NNC(=O)Nc1ccccc1	801990338	FKEUCYSWFSOAGR-UHFFFAOYSA-N	324.340	1.495	50	20	DDGD	
Cc1cc(C)cc(C(=O)NCC(=O)NNc2cccc(F)n2)c1	804770831	URWOWTVQEJJLQN-UHFFFAOYSA-N	316.336	1.711	50	20	DDGD	
CC(C)Cc1nc(C(=O)NNC(=O)[C@@H]2CCCCO2)cs1	295604972	QEALRKJYKMJWAH-NSHDSACASA-N	311.407	1.672	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc(OC2CCC2)cc1	295661293	VYCQIFQAAZYEJT-OAHLLOKOSA-N	318.373	1.948	50	20	DDGD	
CSCC(C)(C)C(=O)NNC(=O)c1ccc(Cl)nc1	800428469	YQBYQDBLYKSMOV-UHFFFAOYSA-N	301.799	1.885	50	20	DDGD	
C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NNc1nnc[nH]1	298533871	VVDLDXFZMUULJH-ZETCQYMHSA-N	315.255	1.734	50	20	DDGD	
CCOC(=O)c1cc(NC(=O)NNc2ncccc2F)cn1C	806337504	CTKWNGXTLHPCRM-UHFFFAOYSA-N	321.312	1.885	50	20	DDGD	
Cn1cc(-c2nn(C)cc2C(=O)NNc2ncccc2F)cn1	804216711	XZYXCTKULRZBFJ-UHFFFAOYSA-N	315.312	1.112	50	20	DDGD	
C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NNC(=O)[C@@H]1CCCCO1	295749033	OPLXMVZUJUDYLS-HACGYAERSA-N	320.389	1.258	50	20	DDGD	
CC(C)c1ccc(OCC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	294241896	NJAXGBJCKXJVCH-WFASDCNBSA-N	320.389	1.904	50	20	DDGD	
CCOC(=O)Oc1ccc(C(=O)NNC(=O)NC2CC2)cc1	800328717	SPAAHGKSBAESAB-UHFFFAOYSA-N	307.306	1.328	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)c1ccccc1F)N1CCCC1=O	299490025	JFRYKEZEPCYRQW-AWEZNQCLSA-N	321.352	1.234	50	20	DDGD	
O=C(CCCC(F)(F)F)NNc1ccc(-n2ccnc2)nn1	804956647	BQEZOTKXKHRJQN-UHFFFAOYSA-N	314.271	1.838	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)COc2ccccc2C#N)C1	819805434	VGLGBMKZTUNCKT-UHFFFAOYSA-N	315.329	1.382	50	20	DDGD	
COc1cnc(C(=O)Oc2ccc([N+](=O)[O-])cc2OC)nc1	815220242	UNGLTAPJSVUSHG-UHFFFAOYSA-N	305.246	1.621	50	20	DDGD	
COC(=O)c1ccc(CNC(=O)NNC(=O)C(C)(C)C)s1	817804653	PXGHPVGOPASWAP-UHFFFAOYSA-N	313.379	1.411	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)Nc1ccn2ccnc2c1	810226978	OZJNTBTUOZKBJU-UHFFFAOYSA-N	313.292	1.940	50	20	DDGD	
COc1ccc(NC(=O)NN=Cc2ccc(C(=O)O)[nH]2)cc1	814998026	PYPLGESKAISZLK-UHFFFAOYSA-N	302.290	1.877	50	20	DDGD	
Cc1ccc(Cl)c(NC(=O)C(=O)NNc2ncncc2F)c1	815764062	PEWMOEMHGZOVLM-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cc(C)n(C(C)C)n1	817358864	SIQWHBMXJIGFSE-UHFFFAOYSA-N	305.342	1.720	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H](C)Oc2ccccc2F)on1	816818224	UVDKYOXXPAZEDR-JTQLQIEISA-N	321.308	1.280	50	20	DDGD	
Cc1cc(C#N)cnc1C(=O)NNC(=O)c1c[nH]c2ccccc12	814783627	PJUSEEWEXQJVIA-UHFFFAOYSA-N	319.324	1.818	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)COc1ccccc1OC	812445755	YVNBRFIJXSXURB-RYUDHWBXSA-N	324.377	1.140	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)[C@H]2COc3ccccc3O2)C1	819802034	XHTBCKVFBWGUKJ-LNUXAPHWSA-N	318.329	1.272	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H]1CCS[C@@H]1C	825973299	BGHMOGAUCPCNNF-MWLCHTKSSA-N	309.391	1.533	50	20	DDGD	
COC[C@H](C)C(C)=NNC(=O)c1cccc(-c2nn[nH]n2)c1	826148536	KSFINRVRKBRUOC-VIFPVBQESA-N	302.338	1.255	50	20	DDGD	
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NN(C)[C@@H](C)CO	823934043	AJMMXTJDPQKTSL-WCQYABFASA-N	309.366	1.507	50	20	DDGD	
Cc1cccc2sc(NNC(=O)C[C@H]3CCC(=O)N3)nc12	828362125	CBJAOFNLYRKDBF-SECBINFHSA-N	304.375	1.717	50	20	DDGD	
CCCN(NC(=O)[C@@H]1CC(=O)N(CC)C1)C(=O)OC(C)(C)C	495827704	QHOLJGGIPBPUMT-LLVKDONJSA-N	313.398	1.533	50	20	DDGD	
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)C1CCC1	491329323	MQSOXIADERKZCE-NSHDSACASA-N	313.398	1.483	50	20	DDGD	
CN(C)CCn1ccc(NC(=O)[C@]2(C)C[C@H]2Br)n1	820103016	PELRFQBGSIJHNI-BXKDBHETSA-N	315.215	1.557	50	20	DDGD	
CCO[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	827149685	RRCNRLUGVUZENK-FDYHWXHSSA-N	313.398	1.090	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CCC[C@H](C2CC2)C1	827199584	DQKUPPFLKHYEIO-CABNGKKXSA-N	309.410	1.711	50	20	DDGD	
CN(NC(=O)CNc1ccc(C#N)cn1)C(=O)OC(C)(C)C	496067283	MMKATRNZVWPVQE-UHFFFAOYSA-N	305.338	1.263	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(Br)cn1C(C)C	823859942	FANGYHOZKNMPAA-UHFFFAOYSA-N	318.215	1.791	50	20	DDGD	
CSCCCCC(=O)NNc1ccc(-c2nn[nH]n2)cc1	826228440	OSNMTUOJUIMRGW-UHFFFAOYSA-N	306.395	1.843	50	20	DDGD	
O=C(NN=C[C@H]1C[C@H]2C=C[C@H]1C2)c1cccc(-c2nn[nH]n2)c1	826444834	WPSFIGBCIQWKHQ-COPLHBTASA-N	308.345	1.795	50	20	DDGD	
CCN(CC)C[C@@H]1CCN(C(=O)/C(C#N)=C/c2cnn(C)c2)C1	491135996	UZKYQVUGMXJXMW-BRSWLGOBSA-N	315.421	1.517	50	20	DDGD	
C[C@@H](CNC(=O)/C(C#N)=C\c1cnn(C)c1)CC1(C)OCCO1	491009089	JKGCAVIRFPPDQE-KXQKXUNCSA-N	318.377	1.232	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NN(C)[C@@H](C)CO)no1	823970475	HKYCKKKFTWZHOO-JTQLQIEISA-N	305.334	1.308	50	20	DDGD	
CC(C)n1c(O)nc2ccc(C(=O)NNC(=O)N(C)C)cc21	824627869	ZLPJZGKGBRBMJW-UHFFFAOYSA-N	305.338	1.239	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)ncn3C)n1	490781675	BRZWUCJSSDCNMQ-KPKJPENVSA-N	306.329	1.852	50	20	DDGD	
Cn1c(Cl)cnc1CNC(=O)[C@@]1(C)C[C@@H]1Br	906510300	DQXADZHGUQLDSO-WKEGUHRASA-N	306.591	1.863	50	20	DDGD	
CCN(C[C@H](O)C(F)(F)F)C(=O)[C@]1(C)C[C@H]1Br	907526889	ROWGZIKGFXOACQ-BKPPORCPSA-N	318.133	1.932	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)c2c[nH]nc2C)cc1	492856387	IMMIUXZETMIVAW-VMPITWQZSA-N	300.318	1.201	50	20	DDGD	
CCS(=O)(=O)C1CN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1	491108295	XRNQMCIDPDAEFU-GHXNOFRVSA-N	322.361	1.378	50	20	DDGD	
O=C(NN=C(C[C@H]1CCOC1)c1ccc(F)cc1)c1ncon1	901287319	SLWZXBIHTLQFCS-SNVBAGLBSA-N	318.308	1.769	50	20	DDGD	
CN(C)c1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1	825875724	WOCNPXCJDARDGN-UHFFFAOYSA-N	323.360	1.690	50	20	DDGD	
Cc1ccccc1[C@@H](NC(=O)c1cccc(B(O)O)c1)C1CC1	584945759	SSLVHTSLUNBLBX-KRWDZBQOSA-N	309.174	1.556	50	20	DDGD	
CCCN(C(=O)c1cccc(B(O)O)c1)c1ccc(CC)cc1	584999403	UJQWSIUIVUJJBV-UHFFFAOYSA-N	311.190	1.986	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCc1ccc2c(c1)CCO2	490949369	VTAQBJUMQDNYDO-UHFFFAOYSA-N	307.350	1.860	50	20	DDGD	
C[C@H]1C[C@H]1c1ccc(CCC(=O)NNC(=O)Cc2cc[nH]n2)o1	730103139	YIDMPSSPBRCBKS-GXFFZTMASA-N	316.361	1.449	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)N[C@@H]1CCN(C(C)(C)C)C1=O	827076516	REPCYECNAUBUPJ-SNVBAGLBSA-N	312.414	1.152	50	20	DDGD	
CC(C)N(C)Cc1ccc(NCc2ccc(B(O)O)o2)cc1	585046817	ZEOLISNEMUDFDX-UHFFFAOYSA-N	302.183	1.412	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)[nH]1	731865433	JRWSQCHYVATGGO-QMMMGPOBSA-N	306.297	1.086	50	20	DDGD	
Cc1ncccc1C(=O)OCC(=O)NNC(=O)c1ccccc1	731092845	IQFIJMAEEHDTTL-UHFFFAOYSA-N	313.313	1.008	50	20	DDGD	
COc1ccccc1C(=O)NN[C@@H](C(=O)O)c1ccccc1	738116311	SQJHKTRCGBOWOV-CQSZACIVSA-N	300.314	1.756	50	20	DDGD	
CCCNC(=O)NNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1	739706595	NSJKSVITOIBSGS-UHFFFAOYSA-N	308.338	1.613	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2cc([N+](=O)[O-])ccc2O)C[C@@H](C)O1	834962144	LCYNWHHWVJKAGK-DTORHVGOSA-N	307.306	1.974	50	20	DDGD	
C[C@@H](C1CC1)N(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	839460441	JYFVMEYISZZBDN-JTQLQIEISA-N	320.349	1.086	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)Nc1ccc(N(C)C)cc1)N(C)C	836623343	LOZUKVNRGMFRFS-NSHDSACASA-N	322.413	1.038	50	20	DDGD	
O=C(COc1cc(F)cc(F)c1)NNC(=O)[C@@H]1CCCCO1	833236249	QBSMAZFCDCXQNZ-LBPRGKRZSA-N	314.288	1.060	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)CCN1CCN(C(C)C)CC1	907460595	BQKJGLVZTYPLQC-UHFFFAOYSA-N	322.428	1.993	50	20	DDGD	
Cn1ccc(C=NNC(=O)CCCNC(=O)OC(C)(C)C)n1	495591285	WGJJKIARMHTONA-UHFFFAOYSA-N	309.370	1.175	50	20	DDGD	
C[C@@H](C[C@@H]1CCOC1)NC(=O)NNc1ncc(F)cc1F	838516771	QMTUQWNYULMGCR-IUCAKERBSA-N	300.309	1.801	50	20	DDGD	
OB(O)c1cccc(CNC2CCC(N3CCCCC3)CC2)c1	585026884	TYGPDVGZACDBCE-UHFFFAOYSA-N	316.254	1.253	50	20	DDGD	
C[C@H]1CC[C@H](c2ccccc2)N(C(=O)c2cccc(B(O)O)c2)C1	584988780	UETJHGGXICBIQR-KBXCAEBGSA-N	323.201	1.980	50	20	DDGD	
C=C(CC)CNC(=O)NNC(=O)Cc1nc2ccccc2n1C	838721337	WJHWQLPYHYIQBH-UHFFFAOYSA-N	315.377	1.412	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@H]1CCCCO1)c1c(F)cccc1F	833243592	USNGVJPDHUJOTH-JOYOIKCWSA-N	312.316	1.785	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCCCCCCN)cc1	831248335	FQRQJPXLCGHCKE-UHFFFAOYSA-N	322.409	1.223	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccnc(SC)c1	731490618	PPXBICJPUUXABQ-UHFFFAOYSA-N	317.370	1.887	50	20	DDGD	
C[C@H](COc1cccc(F)c1)NCc1ccc(B(O)O)cc1	585018937	XBJAPOKKSXQNIN-GFCCVEGCSA-N	303.142	1.063	50	20	DDGD	
CC[C@H](C)[C@@H](C=NNC(=O)[C@@H]1COc2ccccc2O1)OC	834917351	AHHLMELNYDBQOX-GLQYFDAESA-N	306.362	1.990	50	20	DDGD	
O=C(NNc1c(F)cccc1F)C1(C(=O)NC2CC2)CCC1	735698530	OGASILGKUAHBIJ-UHFFFAOYSA-N	309.316	1.857	50	20	DDGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)c1nnnn1C1CC1	588609755	SEFDMXHFDQTXDJ-MJWAUXSNSA-N	324.344	1.498	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)c2ccccc21)[C@@H]1CCCCO1	834987773	BIVQVUQEDQIHTK-ZDUSSCGKSA-N	322.386	1.253	50	20	DDGD	
COCCOc1ccc(C(=O)NNC(=O)CC(F)(F)F)cc1	732274445	IZICUCRAIUVNIJ-UHFFFAOYSA-N	320.267	1.425	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCC(=O)c1c(F)cccc1F	831854478	XTDVLTQLEUTXAS-UHFFFAOYSA-N	313.304	1.620	50	20	DDGD	
COC(=O)c1cc(NNC(=O)N[C@@H](C)C[C@H](C)N)ccc1F	831223721	HNYITWVVKFSWRB-IUCAKERBSA-N	312.345	1.364	50	20	DDGD	
CCOC(=O)c1cc(COC)cc(NC(=O)NNC(=O)CC)c1	836643005	XPZWFNZKDFUDLC-UHFFFAOYSA-N	323.349	1.572	50	20	DDGD	
CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)C(N)=O)cc2C1	917359871	NUDVUOKXOHCWIP-SECBINFHSA-N	323.418	1.145	50	20	DDGD	
O=C(NCc1c(F)cccc1Cl)NNC(=O)c1ccc[nH]1	746964472	ZKRDKQOFJNZKHG-UHFFFAOYSA-N	310.716	1.951	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)COc1cc(C)ccc1C	749757028	LRPCEPPEPKYKFY-GFCCVEGCSA-N	309.435	1.976	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)COc2ccc(F)cc2)s1	910815895	AJYFQIFKGAEIIE-UHFFFAOYSA-N	323.349	1.739	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2ccc(C(=O)O)[nH]2)cc1C	749813099	WPVXWABXKQCGAG-UHFFFAOYSA-N	315.329	1.859	50	20	DDGD	
COc1ccc(CCCC(=O)NN(C)[C@@H](C)CO)cc1OC	911444167	BVMOPPIBWDWFCX-LBPRGKRZSA-N	310.394	1.370	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2cc([N+](=O)[O-])cn2C)o1	746524341	WXHSWIKWXJHERT-UHFFFAOYSA-N	318.293	1.673	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NCc1ccon1	747593755	FSOARVYXFWHXDX-UHFFFAOYSA-N	318.333	1.146	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@@H]1CCC[C@@H](N)C1	841983837	XMZUZWJIUJBLFH-ZIAGYGMSSA-N	304.394	1.138	50	20	DDGD	
Cc1cccc(C2(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)CC2)c1	843643841	APKLYPDSZZNDBV-OCCSQVGLSA-N	302.374	1.599	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCCOc1ccc(F)cc1	918071048	KGSMMSSBWVNDQQ-UHFFFAOYSA-N	323.246	1.487	50	20	DDGD	
O=C(CCCCc1ccccc1)NNC(=O)CN1CCCC1=O	913729668	VEHXWCAZQUDYJP-UHFFFAOYSA-N	317.389	1.169	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@]1(C)CCc2ccccc21	843775094	OVQOUEKBRZENPI-MRXNPFEDSA-N	305.378	1.257	50	20	DDGD	
CCNC(=O)NNC(=O)c1c(C)nc(C(C)C)nc1SC	747367172	QDRGSJGGCXKDLD-UHFFFAOYSA-N	311.411	1.594	50	20	DDGD	
C=CC(=O)N(CC)CC(=O)NNc1cccc(C(=O)OC)c1C	912452455	WAZYSEJVQUTSFE-UHFFFAOYSA-N	319.361	1.259	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@H]1CCCCO1)C1CCC(O)CC1	841438699	LLVRPPPJEAQSJF-BPCQOVAHSA-N	312.410	1.280	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(C(=O)OC(C)(C)C)cn1	843751154	ZSGLGAUULUGHKM-UHFFFAOYSA-N	309.322	1.428	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1COc2ccccc2O1)[C@H]1CCOC1	741836607	DGTSLELMSKBHGO-NHYWBVRUSA-N	304.346	1.745	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)C[C@H]1C=CCCC1	842261139	HUUXTRXOPORIIH-NSHDSACASA-N	309.391	1.524	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CCc2ncc[nH]2)cc1	846376180	UEFZIWPIQBYXOX-UHFFFAOYSA-N	302.334	1.201	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNC(=O)c1c(C)nc2ccccn12	841376942	BAVYIBCNKXCQPX-GFCCVEGCSA-N	318.377	1.465	50	20	DDGD	
CC(=NNC(=O)NCC(F)(F)F)c1ccc(O)c([N+](=O)[O-])c1	749612275	MYSORFFYGZVIPZ-UHFFFAOYSA-N	320.227	1.886	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1ccc(F)cc1F	743445610	CTJRETDPDVNCGE-UHFFFAOYSA-N	322.271	1.249	50	20	DDGD	
CC(C)(C)n1nnc(CNC(=O)NNc2ccc(F)cc2)n1	847419244	QQKHYWFDVZWIFK-UHFFFAOYSA-N	307.333	1.394	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(C)c1	847503382	LEUOLFGIWSHBPI-MRVPVSSYSA-N	311.769	1.780	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)[C@@H](C)CN1CCCCCC1	749759926	AWXLYUFPCBUQTM-STQMWFEESA-N	314.499	1.792	50	20	DDGD	
CC1(C)CC(=NNC(=O)C(=O)NCc2ccc(Cl)cc2)CO1	841632289	UUMGYYOFLOHNSH-UHFFFAOYSA-N	323.780	1.627	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)OC	928321461	FAYQHBFGEMBDPU-WONIAPNHSA-N	320.320	1.470	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H]2CCc3nnc(C)n3C2)n1	750794941	MQPUYLPQUOFPDY-SECBINFHSA-N	321.772	1.044	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@H]2CSCCS2)o1	750996949	DEVRYEKPPJQRHG-SECBINFHSA-N	312.420	1.961	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cc1	853386889	FETGJTWGWMNPMY-ZBFHGGJFSA-N	317.389	1.399	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccc(OC(F)F)c(F)c1	754713154	DEZLRSMWARNGSN-UHFFFAOYSA-N	317.267	1.402	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=Cc1cccc(C#N)n1	853408550	TYGXSTCSKHMAKD-UHFFFAOYSA-N	315.377	1.346	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C1CCc2c(O)cccc21	750936160	FHAYJZJSJGKXDC-UHFFFAOYSA-N	313.313	1.182	50	20	DDGD	
COc1ccc2c(c1)CC[C@H](NC(=O)NNC(=O)C(C)(C)C)C2	753289043	WBTNQQQUDXUTFN-ZDUSSCGKSA-N	319.405	1.929	50	20	DDGD	
COc1ncncc1NC(=O)NNC(=O)c1ccccc1F	757691109	UUJGLMRWSXMXIY-UHFFFAOYSA-N	305.269	1.091	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=Cc1ccc(O)nc1	853406762	RDJUHSMPKFHKTK-UHFFFAOYSA-N	306.366	1.180	50	20	DDGD	
Cn1nc2c(c1C(=O)NNc1ncc(Cl)cn1)CCCC2	857357006	CNJFFCVWZPDTAG-UHFFFAOYSA-N	306.757	1.499	50	20	DDGD	
C=CC[C@@H]1CCCCC1=NNC(=O)N[C@H]1CCS(=O)(=O)C1	853292773	XLMUTMUAOPTKSJ-NEPJUHHUSA-N	313.423	1.595	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1c(F)c(F)cc(F)c1F	755696533	ZFUUELXBLCWYSZ-UHFFFAOYSA-N	318.148	1.956	50	20	DDGD	
C[C@H]1CN(C2CC2)CC1=NNC(=O)c1ccc2c(c1)OCCO2	755892834	RWKXPTHIYKMSHM-NSHDSACASA-N	315.373	1.658	50	20	DDGD	
Cn1nc(C(=O)NNc2cc(C(F)(F)F)ccn2)cc1O	857515164	GQTNCAQLCZGFNO-UHFFFAOYSA-N	301.228	1.296	50	20	DDGD	
CCc1ncsc1NC(=O)NNC(=O)Cc1ccncc1	757755831	LFKPJSFTJMXPTA-UHFFFAOYSA-N	305.363	1.496	50	20	DDGD	
O=C(COc1ccc(F)cc1F)NNc1ncccc1[N+](=O)[O-]	759301542	TWVAGOMBXMXURS-UHFFFAOYSA-N	324.243	1.790	50	20	DDGD	
C[C@H](NC(=O)NC[C@]1(C)C[C@H]1Br)c1ncnn1C	856851529	FWCLSEJPCXFDKN-RNSXUZJQSA-N	316.203	1.349	50	20	DDGD	
CC[C@@H]1CC(=NNC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)CO1	853378064	PNZKFKKDMPJRBO-UMVBOHGHSA-N	320.393	1.559	50	20	DDGD	
CO[C@@](C)(C(=O)NCCCSC#N)C(=O)OC(C)(C)C	854363842	PKXJFYNPMLBDLZ-ZDUSSCGKSA-N	302.396	1.454	50	20	DDGD	
CCC(COC)=NNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C	853372319	WGWOCQNHSHSYRH-CHWSQXEVSA-N	308.382	1.416	50	20	DDGD	
CN(NC(=O)/C=C\c1ccc(C(N)=O)o1)C(=O)OC(C)(C)C	854918989	QRIZIPSPOUNGDW-VURMDHGXSA-N	309.322	1.290	50	20	DDGD	
CCC[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)c1ccccc1	858121723	FWKMIARQDMUORF-CYBMUJFWSA-N	301.350	1.895	50	20	DDGD	
CCn1nccc1NC(=O)NNC(=O)c1ccc(Cl)cc1O	757903393	UUJKVZLMNAVMIC-UHFFFAOYSA-N	323.740	1.729	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)[C@H]2CCc3nnc(C)n3C2)c1	750789524	UUMZRUNWUCVEMK-NSHDSACASA-N	303.341	1.740	50	20	DDGD	
O=C(NNc1ccncn1)C1CCC(OC[C@H]2CCCO2)CC1	857521684	NYZDQAJOGKFQAG-JXQTWKCFSA-N	320.393	1.674	50	20	DDGD	
CN1C[C@H](c2ccccc2)[C@@H](C(=O)NNC(=O)OC(C)(C)C)C1	858111166	VQZUWSPULYLDIJ-KGLIPLIRSA-N	319.405	1.888	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C[C@@H]1CCCO[C@H]1c1ccnn1C	853368276	GENASGWNMJOOAB-PWNZVWSESA-N	320.393	1.415	50	20	DDGD	
CCOc1nc2sccn2c1C=NNC(=O)N1CCOCC1	753924329	PLEXRLUKEJBRMG-UHFFFAOYSA-N	323.378	1.170	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CCc2c(Cl)cccc21	755289134	DWBZCHQKYIYRLG-GFCCVEGCSA-N	318.764	1.483	50	20	DDGD	
Cn1cc(C(=O)NN=c2cc[nH]cc2Cl)c(C(F)F)n1	755280232	MUJKIDFLBHZUCN-UHFFFAOYSA-N	301.684	1.585	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cccc(F)n2)cnn1CC(C)C	856423394	SYTLCNJYMMMYSZ-UHFFFAOYSA-N	319.340	1.456	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1ccn(CC(F)F)n1	756867118	GATUQVPKLBUJDW-UHFFFAOYSA-N	310.264	1.010	50	20	DDGD	
CO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2O)C1(C)C	753552231	UDEPUNJGJJAEJB-VXGBXAGGSA-N	307.350	1.150	50	20	DDGD	
Cc1ocnc1CNC(=O)NC[C@]1(C)C[C@@H]1Br	856845313	NGQYNQPMHSDHLO-ONGXEEELSA-N	302.172	1.956	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCCn2ccnc2C)c1	858151329	BNNGWTSIVRIGSP-UHFFFAOYSA-N	321.406	1.596	50	20	DDGD	
COCn1ccc(C(=O)NNC(=O)c2cc3c(s2)CCC3)n1	854203925	XXNAGCBLJGMTHA-UHFFFAOYSA-N	320.374	1.112	50	20	DDGD	
CSSCCNC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]21	854395019	YYVARMWOVSIZMU-MXWKQRLJSA-N	302.465	1.809	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1coc(-c2cccnc2)n1	854683196	LJKYDEQHARHNOZ-GFCCVEGCSA-N	316.317	1.067	50	20	DDGD	
C[C@]1(CNC(=O)C2(S(C)(=O)=O)CCC2)C[C@@H]1Br	857389337	ZUTGQGDIYPBJII-WCBMZHEXSA-N	324.240	1.243	50	20	DDGD	
Cc1cccc([C@@H](CC(=O)NCCCSC#N)NC(N)=O)c1	854362925	HOGVXZIKDZBKFN-CYBMUJFWSA-N	320.418	1.815	50	20	DDGD	
O=C1CC[C@H](CC(=O)NNc2ccc(C(F)(F)F)cn2)CN1	857488891	NYYAIDXUNSTSSW-MRVPVSSYSA-N	316.283	1.460	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cc2c(cn1)CCCC2	931510376	DDPQIHBVUNPQEO-UHFFFAOYSA-N	300.362	1.917	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)c2ccc[nH]2)cnn1CC(C)C	757802190	RLOAIJAGDJWHKD-UHFFFAOYSA-N	304.354	1.642	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(NC(=O)CC(C)C)cc1	755616719	WQSBVUUZKQLXJW-UHFFFAOYSA-N	322.365	1.470	50	20	DDGD	
CC(=O)N[C@H](CC(C)C)C(=O)NNc1cccc([N+](=O)[O-])c1	860311841	FUZBURLJFIIHKT-CYBMUJFWSA-N	308.338	1.589	50	20	DDGD	
Cc1cccc(CO[C@@H](C)C(=O)NNC(=O)Cc2cc[nH]n2)c1	865198196	IYSCYKQIASBYLI-LBPRGKRZSA-N	316.361	1.013	50	20	DDGD	
COc1ccc(SCC(=O)NNC(=O)c2cc(C)[nH]n2)cc1	765583468	OOPFLXRFADLWCN-UHFFFAOYSA-N	320.374	1.280	50	20	DDGD	
CNc1snc(C)c1C(=O)NNC(=O)c1cc(C)cs1	862475157	AWXLVZSTUWWQQA-UHFFFAOYSA-N	310.404	1.938	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H]2CCO[C@@H](C)C2)cc1	769736195	RXSYBDRJZKUNEL-SMDDNHRTSA-N	305.378	1.761	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)c2ccccn2)cc1C	767732233	BQDPXBMBUKZNNV-UHFFFAOYSA-N	315.329	1.239	50	20	DDGD	
Cc1c(NNC(=O)/C=C\CN2CCOCC2)cccc1[N+](=O)[O-]	866875791	NFODWZILFLSQLR-UTCJRWHESA-N	320.349	1.235	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc(C)sn2)cc1OC	766323726	LQSHJDNVQCIDEO-UHFFFAOYSA-N	321.358	1.544	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C2(F)CCOCC2)cc1	868430989	VAGAYZHBKJJCIH-UHFFFAOYSA-N	324.352	1.294	50	20	DDGD	
COc1ccc([C@@H]2COCCN2S(=O)(=O)CCl)cc1	867884798	ZGDXCSWGTURSLW-LBPRGKRZSA-N	305.783	1.595	50	20	DDGD	
CCn1nc(C)c(NC(=O)C(=O)NNc2cccc(C)n2)c1C	861960376	NFZATRJDUNKLJU-UHFFFAOYSA-N	316.365	1.305	50	20	DDGD	
NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1nc2ccccc2[nH]c1=S	862293155	OCGHDZMCTWHHER-YUMQZZPRSA-N	317.374	1.247	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)CC(F)(F)F)c(C)c1	767140560	WHXFZGFRGMDXOV-UHFFFAOYSA-N	319.283	1.786	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccc(Oc2cccnc2)nc1	764677874	VXELJBSOMYWEOK-UHFFFAOYSA-N	313.317	1.832	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)Nc1snc2ccccc12	879826853	OVGCJOZKCLAABO-UHFFFAOYSA-N	320.374	1.876	50	20	DDGD	
OCC1(CO)CCN(C[C@@H](CBr)C2CC2)CC1	879972844	QRYLAORZTLQZSJ-GFCCVEGCSA-N	306.244	1.474	50	20	DDGD	
CC(C)OCCNC(=O)NNC(=O)c1nc2ccccc2s1	872971526	RIPRQARFUNTAIM-UHFFFAOYSA-N	322.390	1.665	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ccc(C#N)cc2)cn1	773701707	YZUXEURFAZFRFQ-UHFFFAOYSA-N	311.301	1.044	50	20	DDGD	
CCS[C@H]1CCC[C@H](NC(=O)NNC(=O)c2cn[nH]c2)C1	875343303	VQHZPOTUPGWULX-QWRGUYRKSA-N	311.411	1.418	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H]1CCn2ccnc2C1	779212962	AWFISUZQIRZVMH-GFCCVEGCSA-N	321.812	1.680	50	20	DDGD	
CN(CC(=O)NNC(=O)C(C)(C)C)CC1(O)CCCCCC1	778285051	WUMWEXMHFNLTIN-UHFFFAOYSA-N	313.442	1.197	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)CCc2ccccc2O)c1C	878749721	CDETUZBQVNPWBQ-UHFFFAOYSA-N	316.361	1.311	50	20	DDGD	
COCc1cc(C(=O)NNc2cccc(F)c2C(=O)OC)no1	773620425	MXUOGUXGPXGHBR-UHFFFAOYSA-N	323.280	1.504	50	20	DDGD	
Nc1cnnc(NNC(=O)CSCc2ccncc2)c1Cl	1116298707	XCHMXSUEFGIXKZ-UHFFFAOYSA-N	324.797	1.484	50	20	DDGD	
Cc1ccc2c(c1)S[C@@H](C(=O)NNC(=O)c1cc(C)[nH]n1)C2	1116305134	XQTITRAAHZMPLM-CYBMUJFWSA-N	316.386	1.505	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)COC1(C)CCC1	773261714	QRCDEQZBIYWBIT-UHFFFAOYSA-N	316.361	1.363	50	20	DDGD	
CCc1cc(C(=O)NNC(=S)Nc2cccc(C)c2)n(C)n1	873778032	KCCSYFXXSRUYLO-UHFFFAOYSA-N	317.418	1.922	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccccc1-c1cnn(C)c1	875429352	JQBFJFFENFMKJO-UHFFFAOYSA-N	317.349	1.500	50	20	DDGD	
C[C@@H](CN(C)C)NC(=O)NNC(=O)c1nc2ccccc2s1	875582054	HOOOKXSKDKUMHJ-VIFPVBQESA-N	321.406	1.190	50	20	DDGD	
CC(F)(F)C1(C(=O)NNc2ccccc2S(N)(=O)=O)CC1	1118770996	XIUUFDGJCNAIDP-UHFFFAOYSA-N	319.333	1.213	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H](C)CCc2ccc(F)cc2)nc1O	878038230	DEECBSKDBNWXNF-SECBINFHSA-N	319.340	1.737	50	20	DDGD	
COc1ccc([C@@H](OC)[C@H](C)NC(=O)NNC(=O)C(C)C)cc1	772075028	MRBRYAOSWXGILP-FZMZJTMJSA-N	323.393	1.758	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)N[C@@H]1CCN(CC2CC2)C1	778672188	JJVDIIMPZBLODU-GFCCVEGCSA-N	309.801	1.845	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1ccc(F)cn1	773625328	HZDLPGCRTBHPPA-UHFFFAOYSA-N	307.256	1.903	50	20	DDGD	
CCN1CCN(CCC(=O)NNc2cc(F)ccc2F)CC1	885144458	DJDTUMDTNYFWML-UHFFFAOYSA-N	312.364	1.436	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)C1=NO[C@@H](c2ccccc2)C1	883062227	UTGLHRQJFRJNCB-CQSZACIVSA-N	317.345	1.078	50	20	DDGD	
CCN1CCC(CNC(=O)NNc2ccc(C#N)cn2)CC1	888052650	FAOZAKYGVBIBNK-UHFFFAOYSA-N	302.382	1.311	50	20	DDGD	
CCn1nccc1NC(=O)C(=O)NNc1cccc(Cl)c1	773737162	WTTVMEOIUXTMMJ-UHFFFAOYSA-N	307.741	1.638	50	20	DDGD	
NC1CC2(C1)CC(NC(=O)NNC(=O)c1cccc(Cl)c1)C2	1120677565	SFDMMUGYPUKMLB-UHFFFAOYSA-N	322.796	1.554	50	20	DDGD	
CCN1CCOC[C@H]1C(=O)NNc1c(F)cc(F)cc1F	885151418	CKAZYPVHJKWXJS-NSHDSACASA-N	303.284	1.268	50	20	DDGD	
CCc1nn(C)cc1NC(=O)C(=O)NNc1cc(Cl)ccn1	784856322	LWLJCUJVYJSMBD-UHFFFAOYSA-N	322.756	1.113	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)[C@@H]1CCCCS1(=O)=O	885143224	XXUOGXSOEMRTDZ-NSHDSACASA-N	304.318	1.375	50	20	DDGD	
C[C@H]1CN(c2ccncc2)CCN1S(=O)(=O)CCCCl	885848476	VLLMUCYQXRSCEX-LBPRGKRZSA-N	317.842	1.551	50	20	DDGD	
CSSCCNC(=O)Nc1ccc2c(c1)C(=O)NC2=O	789720819	JHGRQLGJVNFKNM-UHFFFAOYSA-N	311.388	1.703	50	20	DDGD	
CC(C)(C)c1ccc(CC(=O)NNC(=O)c2cccnn2)cc1	882059438	WXTSZQJGKNYHEG-UHFFFAOYSA-N	312.373	1.778	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(C(=O)OC)ccc1Cl	887149217	NZJKRAWGLQWDOD-UHFFFAOYSA-N	322.748	1.691	50	20	DDGD	
O=S(=O)(CCCCl)N[C@H]1CCc2ccccc2OC1	882163238	OAHROVREFBHWMC-LBPRGKRZSA-N	303.811	1.929	50	20	DDGD	
CS[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)C1CCOCC1	883707884	RYOHMWUGOSNEEL-VXGBXAGGSA-N	315.439	1.418	50	20	DDGD	
Nc1ncc(C=NNC(=O)CCSc2ccc(F)cc2)cn1	781585425	FNCMPSKLBIDGHN-UHFFFAOYSA-N	319.365	1.830	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1cccc(CN2CCOCC2)c1	780761389	WUSCAQWWFWSZBC-UHFFFAOYSA-N	312.373	1.093	50	20	DDGD	
C[C@H](NS(=O)(=O)CCCCCl)C(=O)OC1CCCC1	780807477	QFDZQPTXWHPKIN-JTQLQIEISA-N	311.831	1.799	50	20	DDGD	
CN(C)CCOCCNC(=O)NNc1c(F)cccc1F	788018678	QICBWDOSNHCNKX-UHFFFAOYSA-N	302.325	1.169	50	20	DDGD	
N#CCOc1cc(F)ccc1NC(=O)NNC(=O)C1CCC1	782588427	BHVGMNFRCLQDIC-UHFFFAOYSA-N	306.297	1.681	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=C1COCc2ccccc21	782152175	PSMBDABLGZVARL-UHFFFAOYSA-N	321.336	1.988	50	20	DDGD	
CSC1(C(=O)NNC(=O)c2c(C)nc3ccccn23)CCC1	786739454	UTNBZUDUAGDTAT-UHFFFAOYSA-N	318.402	1.689	50	20	DDGD	
CO[C@@]1(C(=O)NNC(=O)NC2CCCCC2)CCSC1	899940625	SHWPWYXXZWPTRG-ZDUSSCGKSA-N	301.412	1.172	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(CNC(N)=O)cc2)n1	780767890	BQVYCHAVLZEVEG-UHFFFAOYSA-N	315.333	1.015	50	20	DDGD	
Cc1[nH]nc2ncc(C(=O)NNc3nc4ccccn4n3)cc12	791253008	LCRWZDMMVSVFBL-UHFFFAOYSA-N	308.305	1.066	50	20	DDGD	
C[S@](=O)c1ccc(CC(=O)NN=c2cc[nH]cc2Cl)cc1	797987671	KSCCOCXOGIUFIP-NRFANRHFSA-N	323.805	1.580	50	20	DDGD	
CC(C)(C)n1cc(C=NNC(=O)c2ccc3c(c2)OCO3)nn1	790142798	HYPBNTBGCCPWAS-UHFFFAOYSA-N	315.333	1.526	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)Cc2ccccc2F)cn1	796301023	SOCYJJTVBBHFTO-UHFFFAOYSA-N	302.309	1.266	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCOc1ccccc1CC	794760445	KHSMHOWKEGYHST-UHFFFAOYSA-N	307.419	1.699	50	20	DDGD	
OB(O)[C@@H]1CCN(Cc2c(F)ccc(Br)c2F)C1	585077261	STRDZZMZKMFPPH-SSDOTTSWSA-N	319.942	1.776	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ccc(F)c(F)c2F)cn1	1318277041	QJTOSVZGANHXBH-UHFFFAOYSA-N	310.235	1.355	50	20	DDGD	
CC[C@@H](C)n1ncc(C(=O)NNc2cnnn2C)c1C1CC1	1329574131	LTRLBOUTDDRVMX-SECBINFHSA-N	303.370	1.617	50	20	DDGD	
CNc1ccccc1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1325511966	SNQYYCFXIVSJST-UHFFFAOYSA-N	313.361	1.405	50	20	DDGD	
O=C(CN1CC[C@H]2CCCC[C@H]2C1)NNC(=O)c1ccccc1	1253281116	YDPZDJVLUGOALB-ZBFHGGJFSA-N	315.417	1.960	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2noc3c2CCCC3)cc1	1337929722	TTYMGROISCZHMA-UHFFFAOYSA-N	314.345	1.944	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNc1cncc(Br)c1	1255334814	AORQYANBXKDIKR-UHFFFAOYSA-N	316.155	1.629	50	20	DDGD	
CCS(=O)(=O)C1CN(C(=O)c2cccc(CCl)c2)C1	1339029394	MPZUULBJHGHJQG-UHFFFAOYSA-N	301.795	1.685	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C[C@@H]1C(=O)Nc2c(F)cccc21	1341059644	GZUHDICZBATJOZ-VIFPVBQESA-N	307.325	1.445	50	20	DDGD	
COC[C@@H](C)Oc1ccc(C=NNC(=O)c2cccnn2)cc1	1353080689	OYUOQZUBMMTLJV-GFCCVEGCSA-N	314.345	1.654	50	20	DDGD	
CSCCCC=NNC(=O)c1cccc(-c2nn[nH]n2)c1	1605375186	FTQSYBANCUCDIJ-UHFFFAOYSA-N	304.379	1.726	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CCCc3cccnc32)nc1	1608903996	CWAJUNBUOLCBLB-GFCCVEGCSA-N	312.329	1.738	50	20	DDGD	
Cc1c(NNC(=O)[C@H]2CCCc3n[nH]cc32)cccc1C(=O)O	1600052639	OHQWJIODEYKBRP-NSHDSACASA-N	314.345	1.980	50	20	DDGD	
Cc1ccc(C(=O)N(c2nc(CC(=O)O)cs2)N(C)C)nc1	1600332269	XIXNAPRBPXDQGW-UHFFFAOYSA-N	320.374	1.597	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C(=C)CCC(=O)O)c1	1602743496	PQCYUIBCOSTDFJ-UHFFFAOYSA-N	317.370	1.407	50	20	DDGD	
O=C(CCc1ccc(C(=O)O)cc1)NNc1ncc(F)cn1	1601288387	MRVXTQGUDGLQMU-UHFFFAOYSA-N	304.281	1.390	50	20	DDGD	
Cc1noc([C@H](C)NC(=O)NNc2ccc(C(=O)O)c(F)c2)n1	1600803812	BJKBYXJSTDUUHP-LURJTMIESA-N	323.284	1.603	50	20	DDGD	
O=C(NC[C@@H]1CCC=CO1)NNc1cccc(C(=O)O)c1F	1608436343	UZJCHKOFUILBBL-VIFPVBQESA-N	309.297	1.843	50	20	DDGD	
CC(C)CCOc1ccc(C(=O)NNC(=O)[C@@H](C)C(=O)O)cc1	1603024561	VOIXBVIALGAPDR-LLVKDONJSA-N	322.361	1.593	50	20	DDGD	
Cc1cc(C2(C(=O)NNc3ccc(CC(=O)O)cc3)CC2)on1	1607633856	JYPMYCKZCZKTTM-UHFFFAOYSA-N	315.329	1.785	50	20	DDGD	
O=C(NC[C@]12CCC[C@H]1NCC2)NNc1cccc(C(=O)O)c1	1608462386	MIUGVYKKGCQFPL-CZUORRHYSA-N	318.377	1.543	50	20	DDGD	
COc1cnc(C(=O)NNc2cccc(C(=O)O)c2F)c(F)c1	1607354119	HYIJVRBYLHBCBA-UHFFFAOYSA-N	323.255	1.824	50	20	DDGD	
O=C(N=c1cc[nH]cc1F)NNc1ccc(C(=O)O)cc1F	1608482065	WCVAYVAUUHRYJX-UHFFFAOYSA-N	308.244	1.629	50	20	DDGD	
Cc1cnn(CCC(=O)NNc2ccc(F)c(C(=O)O)c2)c1	1610541858	OTMXSMBYXOXYMO-UHFFFAOYSA-N	306.297	1.562	50	20	DDGD	
CC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1C[C@@H]1F)C2	1800073002	SASPEZAWDJYUGY-FRTGSEIKSA-N	316.804	2.000	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)NC[C@@H]1CCC2(CNC2)O1	1579604335	IISGVTOMVQWNLP-LBPRGKRZSA-N	324.812	1.796	50	20	DDGD	
Cc1nn(C)c2nc(Cl)cc(NNC(=O)[C@H]3CCN[C@H]3C)c12	1579891656	QJTBNVFJNLIOCX-CBAPKCEASA-N	322.800	1.371	50	20	DDGD	
CNC[C@H](C)C(=O)NNC(=O)c1cc2ccccc2cc1O	1578623499	VIUNOBHNTJQGEI-JTQLQIEISA-N	301.346	1.162	50	20	DDGD	
COc1ccc2nc(NNC(=O)C3(C)CNC3)c(C)cc2c1	1579257359	CPVLMAGILPENRM-UHFFFAOYSA-N	300.362	1.604	50	20	DDGD	
C[C@]1(C(=O)N[C@H]2CCNC3(CCC3)C2)C[C@@H]1Br	1576344628	ZTLVTPPLYIHYJT-NHCYSSNCSA-N	301.228	1.951	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@]1(F)c1ccccc1)C1CCNCC1	1580732721	HNKLUUOGGYZHFZ-CZUORRHYSA-N	305.353	1.018	50	20	DDGD	
CC(=O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843361961	XQEHWGNEUYOYBK-JTQLQIEISA-N	318.776	1.339	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@]12CCCNC2)c1cccc(Cl)c1	1580732615	FUXUMWUDAONZBX-SWLSCSKDSA-N	307.781	1.491	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccccc2CCN)cc1	1580064925	WGVRQEUATGQZJR-UHFFFAOYSA-N	308.341	1.134	50	20	DDGD	
CC(C)(C#N)C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1841137199	MEJIBIKFUBMYQM-VIFPVBQESA-N	301.749	1.274	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)C[C@H]2NCc3ccccc32)cc1	1580063883	BKJUVUBKNZYSPB-MRXNPFEDSA-N	320.352	1.554	50	20	DDGD	
CCC(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1	1841353653	IZBUJDBBCHQSIQ-NSHDSACASA-N	316.829	1.226	50	20	DDGD	
COc1ccc(NNC(=O)Nc2ccc(C(=O)O)s2)nc1	1599598331	WYBWMCGDXVRQSD-UHFFFAOYSA-N	308.319	1.999	50	20	DDGD	
CN(NC(=O)c1ccc(OCC(=O)O)cc1)C(=O)OC(C)(C)C	1598541752	RCMKXZCRTKLUMT-UHFFFAOYSA-N	324.333	1.662	50	20	DDGD	
O=C(NNc1nc2ccncc2s1)c1ccc(C(=O)O)nc1	1594782308	XIBJJFCDNBOILA-UHFFFAOYSA-N	315.314	1.541	50	20	DDGD	
CSCCCNC(=O)NNc1ccc(C(=O)O)c(F)c1	1599799458	AAGRJCNSNHCWHV-UHFFFAOYSA-N	301.343	1.903	50	20	DDGD	
C[C@H](CO)CCCNC(=O)NNc1ccc(C(=O)O)c(F)c1	1592758586	SWBACPMKGBJBSO-VIFPVBQESA-N	313.329	1.559	50	20	DDGD	
CN(C)N(C(=O)[C@@H]1CCCS1)c1nc(CC(=O)O)cs1	1598255289	CBXXAEJHDQWHJK-VIFPVBQESA-N	315.420	1.475	50	20	DDGD	
COCc1ccnc(NC(=O)NNc2ncccc2C(=O)O)c1	1594029932	ZKLOKFWWJPXDOU-UHFFFAOYSA-N	317.305	1.470	50	20	DDGD	
CN(C(=O)/C(C#N)=C/c1ccc(O)cc1)[C@H]1C[C@@H](C(=O)O)C1	1597989856	FLKCRJCEIDYWQT-RDPDKSPKSA-N	300.314	1.621	50	20	DDGD	
COc1ccc(CCC(=O)NN=C2CC[C@H](C(=O)O)C2)cc1	1599552365	CQSPPTFINCTGDB-LBPRGKRZSA-N	304.346	1.985	50	20	DDGD	
Cc1nnc(NNC(=O)c2cc3ccccc3s2)nc1O	11335431	KXWAZWUHWMSIFN-UHFFFAOYSA-N	301.331	1.857	50	20	DDGD	
COCCOc1ccc(C(=O)NNC(=O)c2ccccc2)cc1	14656305	WSVGXYWDLFEJMZ-UHFFFAOYSA-N	314.341	1.787	50	20	DDGD	
CCOc1ccccc1C(=O)NNC(=O)c1ccccc1O	17573348	UBRWQKQMLXYSSZ-UHFFFAOYSA-N	300.314	1.866	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@H]1CCCCO1	161374426	HPLWYFUTZSRYIV-CQSZACIVSA-N	301.346	1.427	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=S)Nc1ccccn1	161658416	OYBBPEOUZONXBG-UHFFFAOYSA-N	316.386	1.868	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1	161957876	MDNZLIBYGKKDDA-SNVBAGLBSA-N	320.176	1.766	50	20	DDGD	
CCC(CC)CC(=O)NNC(=O)COc1ccc(C#N)cc1	164245834	QSSZIGDOZAARQA-UHFFFAOYSA-N	303.362	1.911	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2cc(F)c(F)cc2F)[nH]n1	151209540	ZPYNXLMITRPKAH-UHFFFAOYSA-N	312.251	1.139	50	20	DDGD	
O=C(NCCc1nc2c(s1)CCCC2)NNc1ncccn1	153855501	IMIIBBFGOXIRMU-UHFFFAOYSA-N	318.406	1.681	50	20	DDGD	
C=CCNC(=S)NNC(=O)COc1ccc2c(c1)CCC2	6819688	GTMOVJYZPLXBEB-UHFFFAOYSA-N	305.403	1.235	50	20	DDGD	
CCCCNC(=S)NNC(=O)Cn1cnc2ccccc21	7560501	INDKQHBYURMHQB-UHFFFAOYSA-N	305.407	1.332	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C2CCCCC2)cn1	170699052	DGXJWWALRXUSFU-UHFFFAOYSA-N	308.407	1.988	50	20	DDGD	
C[C@H]1CCC[C@@H]1NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	105311808	UQPKCPDYFVXPHV-CABZTGNLSA-N	306.322	1.727	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](C)c1c(F)cccc1Cl	176141416	IHIODKCYPZZVOY-MRVPVSSYSA-N	317.748	1.907	50	20	DDGD	
Cc1cc(OC(=O)[C@H]2CCCN(C(N)=O)C2)ccc1[N+](=O)[O-]	102868378	PVQMFDSGSVGKFL-JTQLQIEISA-N	307.306	1.599	50	20	DDGD	
O=C(NNc1ncccc1Cl)[C@@H]1CC(=O)N(C2CCCC2)C1	114883893	OZYHLRRDNICQMZ-SNVBAGLBSA-N	322.796	1.969	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1coc(-c2cccs2)n1	171780656	AZZBXGSGODRXMB-UHFFFAOYSA-N	324.362	1.270	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN(C)C2CCCCC2)n1	26463699	XDYADVHUXPIFMV-UHFFFAOYSA-N	324.450	1.406	50	20	DDGD	
CC(C)[C@H]1CCC[C@@H](NC(=O)NNC(=O)c2cnn(C)c2)C1	118071907	QQOGXIGGDGPPFX-WCQYABFASA-N	307.398	1.579	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C2CCN(C)CC2)c1	174396348	AAAGWJSKTUJHNL-UHFFFAOYSA-N	319.405	1.171	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2nc(C)cc(C)n2)C1	173799774	ZECAQSGIOSMSPL-VXGBXAGGSA-N	306.366	1.516	50	20	DDGD	
C=CCOc1ccc(C(=O)NNC(=O)NC2CC2)cc1OC	64429398	HFHAGVMBWNMFQR-UHFFFAOYSA-N	305.334	1.366	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCc1cnn(C)c1)c1ccccc1	171839334	RRNKOQJYQSQTJT-AWEZNQCLSA-N	315.377	1.444	50	20	DDGD	
Cn1cc(C(=O)OC[C@]2(C)C[C@@H]2Br)n(C)c1=O	1346558116	ORBXZNZTMLSLAU-KWQFWETISA-N	303.156	1.054	50	20	DDGD	
CCS(=O)(=O)c1cccc(CC(=O)NNc2ccncc2)c1	128831469	HKYFWQPLNYPYNP-UHFFFAOYSA-N	319.386	1.561	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)C1(O)CCSCC1	124294717	ZOTDVVDAAVWFEJ-UHFFFAOYSA-N	306.309	1.805	50	20	DDGD	
N#C/C(=C/c1cccc(C(=O)O)c1)C(=O)NC[C@@H]1CCCO1	126290290	FDRRFJACUSJAGF-MQJVFOOVSA-N	300.314	1.587	50	20	DDGD	
O=C(/C=C\c1ccc2c(c1)OCO2)NNC(=O)c1ccccc1	35073864	PKHMXPJAWQCJIW-CLFYSBASSA-N	310.309	1.890	50	20	DDGD	
C[C@@H](CN1CCCCC1)NC(=O)NNC(=O)OC(C)(C)C	79293954	OBQODCPZLAZJLX-NSHDSACASA-N	300.403	1.600	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(-c2ccccc2)on1	186132426	CPVQTSUUPZTFFN-UHFFFAOYSA-N	304.306	1.531	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(C)c1Cl	124869500	IKQYODGDNQVUCL-MRVPVSSYSA-N	311.769	1.780	50	20	DDGD	
CCSc1cccc(NC(=O)NNC(=O)c2cnn(C)c2)c1	185432320	PRAGVURDRSUCLQ-UHFFFAOYSA-N	319.390	1.999	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2c(C)cccc2C)n1	182856302	WYPRBDLIGDIIQD-UHFFFAOYSA-N	315.377	1.970	50	20	DDGD	
CN1C[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)CC1=O	125639187	CQDDSHFSMDXZQG-SSDOTTSWSA-N	312.713	1.170	50	20	DDGD	
CN(C)C(=O)COc1ccccc1/C=C(/C#N)C(N)=C(C#N)C#N	120965583	LAVDHBVPRAUWRL-QPEQYQDCSA-N	321.340	1.321	50	20	DDGD	
O=C(CCOCc1ccccc1)NNC(=O)NCC(F)(F)F	124605107	YZJKLDSPBJCRRO-UHFFFAOYSA-N	319.283	1.486	50	20	DDGD	
C[C@@H](CN1CCCC1=O)NC(=O)NNc1cc(Cl)ccn1	181148710	KXHBGDOEGGNVRW-VIFPVBQESA-N	311.773	1.372	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@@H]1SCCc2sccc21	79327795	KYGNTQQYOJTPRU-GFCCVEGCSA-N	321.427	1.878	50	20	DDGD	
CC(C)OCCCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	181282148	YAOWSGFBHLUHFW-UHFFFAOYSA-N	309.322	1.561	50	20	DDGD	
COc1cccc(NNC(=O)c2cccnc2N2CCCC2)n1	183029294	FNOIOJJBBYEPOK-UHFFFAOYSA-N	313.361	1.842	50	20	DDGD	
CC#CCNC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	134961158	IIOKUIUQEAKKEX-SNVBAGLBSA-N	305.403	1.840	50	20	DDGD	
Cc1cc(OC(=O)Cn2cnc([N+](=O)[O-])n2)ccc1[N+](=O)[O-]	132076368	UQIPRDYVYXQXFE-UHFFFAOYSA-N	307.222	1.009	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2ccc(C)o2)cc1	84284161	VBLQTLNFASQKJM-UHFFFAOYSA-N	302.286	1.449	50	20	DDGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)C(N)=O)c1C	192760686	VXMTZGGMGANLNB-KMHUVPDISA-N	316.405	1.802	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)NCC(C)C)cc1OC	42947660	YQGKCDJEHJPDHK-UHFFFAOYSA-N	309.366	1.694	50	20	DDGD	
C[S@](=O)Cc1cccc(C(=O)NNC(=O)CC2CCCC2)c1	195214026	CBAWUCLOSDYJRH-QFIPXVFZSA-N	322.430	1.906	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)C1(O)CCCCC1	86587994	OZMTZRKRWHLNDZ-UHFFFAOYSA-N	306.362	1.046	50	20	DDGD	
O=C(COc1ccc(F)cc1Cl)NNC(=O)c1ccc[nH]1	195138761	PFBHCGQXDNKEID-UHFFFAOYSA-N	311.700	1.647	50	20	DDGD	
Cc1cccc(OC[C@H](C)NC(=O)NNC(=O)c2ccc[nH]2)c1	97215464	WXPJOMQYLJQQKW-LBPRGKRZSA-N	316.361	1.735	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2ccccc2)cc1C(N)=O	92018151	IVRWLTHJRPWFAM-UHFFFAOYSA-N	312.329	1.560	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2	249005935	JAGQCHPWPCSFDI-RWMBFGLXSA-N	312.373	1.840	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCCCN1CCOCC1	255006238	UZZLVBIYDVUDOB-QINSGFPZSA-N	317.364	1.571	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)NCc2ccco2)c(C(C)C)n1	265332421	UCIURVXMHODPIB-UHFFFAOYSA-N	317.349	1.646	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)nn1	265181121	QIVFRDGUKHXBJP-NEPJUHHUSA-N	320.397	1.058	50	20	DDGD	
CC(C)OC(=O)[C@@H](C)CNC(=O)NNc1ccc(Cl)nn1	266761235	GOZNBCWHICMZCD-QMMMGPOBSA-N	315.761	1.344	50	20	DDGD	
COC(=O)C[C@H](C)NC(=O)c1c(C)nn(CCCl)c1C	266202013	IKNXANRYZSAXBU-QMMMGPOBSA-N	301.774	1.420	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H](C)[C@@H]2CCOC2)cc1	266850113	WXXVCRMOAINIOY-QWHCGFSZSA-N	321.377	1.129	50	20	DDGD	
CCC1(CNC(=O)NNc2ccc(Cl)nn2)CCOCC1	266770249	VNFQXHOIOCCVRV-UHFFFAOYSA-N	313.789	1.963	50	20	DDGD	
N#Cc1c[nH]c(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c1	267146479	YWIVBOZBYUARAX-UHFFFAOYSA-N	312.373	1.864	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=S)Nc2ccc(OC)nc2)O1	268292205	YVQVGPHLMZWTOF-MNOVXSKESA-N	324.406	1.365	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)CCc2ccc(OC)cc2)O1	268232371	LTDFMKXGZWZODG-DZGCQCFKSA-N	320.389	1.733	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1	364271027	VQNJREJAVKTWGA-CHWSQXEVSA-N	322.384	1.623	50	20	DDGD	
COC1(CNC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCC1	272699310	YBTCKAUOSZXCNE-UHFFFAOYSA-N	322.321	1.108	50	20	DDGD	
CSSCCNC(=O)N1CC[C@@H](CS(C)(=O)=O)C1	366282285	NLASISNUYCIPJS-SECBINFHSA-N	312.482	1.074	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)CCC[C@@]1(C)NC(=O)NC1=O	274564198	CXVPUXNWODOUOL-OAHLLOKOSA-N	322.340	1.346	50	20	DDGD	
COCCOc1ccc(NC(=O)NNC(=O)C2CC2)cc1F	273231554	RPJCDKDBBOQVIT-UHFFFAOYSA-N	311.313	1.414	50	20	DDGD	
O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NNC(=O)NC1CC1	270268120	JRCYPOXNMHQZMH-UHFFFAOYSA-N	317.305	1.111	50	20	DDGD	
Cc1ccc2c(c1)[C@@H](NC(=O)NNc1nc3ccccn3n1)CO2	375474722	RZODBSQDXXQNSU-LBPRGKRZSA-N	324.344	1.798	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)COc1cc(F)cc(F)c1	289452391	FFHYQPFCOGLLSJ-UHFFFAOYSA-N	302.277	1.900	50	20	DDGD	
CSSCCNC(=O)N1CCN(c2cnn(C)c2)CC1	283815685	CUQMFOITTMPXAO-UHFFFAOYSA-N	315.468	1.263	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)cc1	282158181	MNTOFLLPYAGFTF-JRPNMDOOSA-N	321.377	1.068	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCc1nnc2n1CCC2	282934050	GEIILOUSWVNOOT-UHFFFAOYSA-N	314.393	1.921	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)c2cccc3ncccc23)O1	282556809	DJEVLBKVDDXFIN-HFAKWTLXSA-N	313.357	1.809	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1nccc(C(F)F)n1	288928733	YEYPWVFAFVAESH-UHFFFAOYSA-N	315.324	1.681	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc(C(C)(C)C#N)cc2)cn1	280034769	GJIHQZIXCMKTMB-UHFFFAOYSA-N	311.345	1.296	50	20	DDGD	
CO[C@H]1CCC[C@H](CC(=O)NNC(=S)Nc2ccccn2)C1	280743309	KFGWAINJKLGUCC-RYUDHWBXSA-N	322.434	1.995	50	20	DDGD	
COCCCn1ccc(NC(=O)NNc2ncccc2F)n1	287356449	RQQPDJYKWHAYEJ-UHFFFAOYSA-N	308.317	1.602	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)C[C@H]1C=CCC1	294701283	RAEUZNMPKXIZFR-LBPRGKRZSA-N	323.418	1.736	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)cn1	803396044	LCVUTASBNNSAPZ-UHFFFAOYSA-N	321.287	1.868	50	20	DDGD	
C[C@@H](CBr)COC(=O)c1cnc2[nH]c(O)nc2c1	808636993	NEDHOYYQVSLPKO-LURJTMIESA-N	314.139	1.851	50	20	DDGD	
CC[C@@H](C)N[C@@H](CNC(=O)NNc1cccnn1)c1ccco1	807443232	GBEQJFVAIUOAJI-NEPJUHHUSA-N	318.381	1.825	50	20	DDGD	
CO[C@@H]1CCOC[C@H]1NS(=O)(=O)c1ccc(CCl)cc1	724848769	NQWZSKCPHVABRW-CHWSQXEVSA-N	319.810	1.508	50	20	DDGD	
N#CCOc1cccc(CC(=O)NNc2cccc(F)n2)c1	804767594	BRUSFHMBDJBXME-UHFFFAOYSA-N	300.293	1.809	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)Nc1cc2ccccn2n1	806649320	DTVGQUJRLFHPMN-UHFFFAOYSA-N	308.305	1.526	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1	298693978	UMCQGFJCOOPMOE-GHMZBOCLSA-N	322.365	1.693	50	20	DDGD	
CCCOc1ccc(S(=O)(=O)NNC(=O)C(C)(C)C)cc1	298850396	KUYYTJJPFNGLNS-UHFFFAOYSA-N	314.407	1.831	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)N=c3cc[nH]cc3)cc2n1C	802036132	QFBFSASHOKDKFU-UHFFFAOYSA-N	324.344	1.165	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H](C)OCC2CC2)cc1	802052648	DAEWLNQDJCVBQM-JTQLQIEISA-N	307.350	1.663	50	20	DDGD	
CCn1nc(C)c(NC(=O)NNC(=O)[C@H]2CCCCO2)c1C	297039222	WLFMSKDLOXTQAP-LLVKDONJSA-N	309.370	1.242	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CSC(F)(F)F	807371301	FZMAWCALWZJNAU-UHFFFAOYSA-N	318.317	1.176	50	20	DDGD	
O=C(Cc1n[nH]c2ccccc12)NNc1nccnc1Cl	806864333	AQDDEYAJORFSMW-UHFFFAOYSA-N	302.725	1.692	50	20	DDGD	
O=C(NNC(=O)c1cc(O)cc([N+](=O)[O-])c1)Nc1ccccc1	801986441	MAYOZLFVCYJCPQ-UHFFFAOYSA-N	316.273	1.767	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)C1CCC1)Cc1ccccc1	296541159	AZXMOEHAYMYPFA-AWEZNQCLSA-N	305.378	1.375	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)C(C)C	298140899	ODRBOMWAHRQNMX-UHFFFAOYSA-N	308.338	1.086	50	20	DDGD	
CCOC(=O)CCCNC(=O)NNc1cccc([N+](=O)[O-])c1	298681603	PKQCGVXCEKTPKX-UHFFFAOYSA-N	310.310	1.564	50	20	DDGD	
COc1nnccc1NC(=O)NNc1nccnc1C(C)C	808902585	OSJROGMWHFDGJO-UHFFFAOYSA-N	303.326	1.547	50	20	DDGD	
Cc1noc([C@H]2CCCN2C(=O)NNC(=O)C2CCCC2)n1	805351619	KJQRGYDTRLPMSD-LLVKDONJSA-N	307.354	1.446	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Cc1ccc(-n2cccn2)cc1	298514254	QQCBAIXQMKQWEA-UHFFFAOYSA-N	300.362	1.608	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc2c(c1)CCCC2=O	815114315	IBBCCJDUQRJUEU-UHFFFAOYSA-N	301.346	1.560	50	20	DDGD	
O=S(=O)(CCCCCl)N1C[C@]2(CCCO2)[C@@H]1C1CC1	815104535	MYDXPTMHLUCUEO-QWHCGFSZSA-N	307.843	1.979	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1cccc(N2CCC2=O)c1	814954526	HNOCUXALQXBXLS-UHFFFAOYSA-N	311.345	1.229	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O	819843610	QNRFCSPYQPSGOW-DTORHVGOSA-N	321.204	1.424	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ncc(Cl)s1	814854782	XMGWBXBNPNRMKP-UHFFFAOYSA-N	302.787	1.551	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)CNc1ccc(C)cc1C	812456243	UGWCEDGVSZOEQE-KBPBESRZSA-N	321.421	1.781	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)CNc1ccc(C)cc1C	812456245	UGWCEDGVSZOEQE-UONOGXRCSA-N	321.421	1.781	50	20	DDGD	
Cc1nccc(CCC(=O)NNC(=O)c2cccc(Cl)c2)n1	814364288	XNACFGXENHDSQO-UHFFFAOYSA-N	318.764	1.832	50	20	DDGD	
CC(=NNC(=O)c1sc(N)nc1C)c1cccc(CO)c1	814795437	WGOQCBPVGMXHTO-UHFFFAOYSA-N	304.375	1.680	50	20	DDGD	
COC(=O)c1ccc(CCC(=O)NNc2ncncc2F)cc1	817080628	WPXIJWVVVGUVMV-UHFFFAOYSA-N	318.308	1.478	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)c2c[nH]nc2C)cc1OC	814699544	HNNXDJYOYMQDAN-UHFFFAOYSA-N	302.334	1.889	50	20	DDGD	
COc1cc(C(=O)NNc2ncncc2F)cc2c1O[C@@H](C)C2	817067927	SNDXXPBJAUEYMU-QMMMGPOBSA-N	318.308	1.705	50	20	DDGD	
O=C(CCc1ccccn1)NNc1nc(-c2cccnc2)no1	728074427	DCZLDWSUQBTQNZ-UHFFFAOYSA-N	310.317	1.603	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	729493822	FRNXRFRTUUQMQH-UHFFFAOYSA-N	320.330	1.647	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2COC(=O)C2)c1C	820078559	RAHAOZUFVAULFP-LULHVWEPSA-N	315.373	1.854	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)c1	827883491	IOUMQCHMZIXWHC-SUNKGSAMSA-N	308.403	1.969	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(Br)ccn1	496876184	PRBKQTAUOLHAHR-UHFFFAOYSA-N	303.116	1.627	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@](C)(C#N)CC(=O)O)c1ccccc1	820261424	KTFRZQXOODLLOP-LRDDRELGSA-N	317.345	1.332	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](C(=O)OC)[C@@H]1CCC[C@@H](OC)C1	491011192	OCQITIZXSMCKOY-ITJLTHJNSA-N	324.377	1.293	50	20	DDGD	
CCCCC[C@H](O)C(=O)NNC(=O)c1cccc2cccnc12	822879798	WSUZPYUIOFHXKD-AWEZNQCLSA-N	315.373	1.937	50	20	DDGD	
CN(C)CCC1CCN(C(=O)/C(C#N)=C\c2cnn(C)c2)CC1	491046557	HIGMTCXAKLWHJD-YBEGLDIGSA-N	315.421	1.517	50	20	DDGD	
CC(C)C[C@H](NC(=O)O)C(=O)NN=c1cc[nH]cc1Cl	824210198	CSJWHILKHQIJHL-JTQLQIEISA-N	300.746	1.282	50	20	DDGD	
CN(C)CCCCC(=O)NNC(=O)COc1ccc(F)cc1	729286748	XKABXWAWKKPDGA-UHFFFAOYSA-N	311.357	1.084	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNc1ccc(-c2ccccc2)nn1	494023241	JEUPLGCSMMUIAI-JTQLQIEISA-N	315.333	1.331	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C	490830042	BCEXIHSMYNSIBR-NSHDSACASA-N	313.398	1.579	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNC(=O)Nc1ccccc1C)C(C)C	822666427	ICZHISADIULQOZ-CYBMUJFWSA-N	321.377	1.983	50	20	DDGD	
CCOc1ccc(CNCc2ccc(B(O)O)cc2)cc1OC	585017137	NCJIRHQUAWXONU-UHFFFAOYSA-N	315.178	1.064	50	20	DDGD	
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NN(C)[C@H](C)CO	823987378	GXSXQPMMEDSHKE-MNOVXSKESA-N	300.786	1.760	50	20	DDGD	
O=C(c1cnc(-c2ccccc2)s1)N1CC[C@H](B(O)O)C1	585069067	IGTSLIRWNSUPOM-NSHDSACASA-N	302.164	1.499	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@H]1CCN(C(N)=O)C1	490877966	NERPZSMUTXTLKT-HJTPGIPUSA-N	302.309	1.002	50	20	DDGD	
COc1ccc(SCCC(=O)N2CC[C@H](B(O)O)C2)cc1	585069319	MXBBIIDWNVJSNI-NSHDSACASA-N	309.196	1.253	50	20	DDGD	
CN(C)CCn1ccc(NC(=O)NNc2ccc(Cl)cn2)n1	821341425	SCEMXDGZYJEBLH-UHFFFAOYSA-N	323.788	1.642	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cc3ccccc3o2)CO1	826131210	OBHGSUVWSPSVSW-GXSJLCMTSA-N	303.318	1.554	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1	822203893	UPHHUNWEVDZKAY-JTQLQIEISA-N	305.161	1.830	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=C1CCc2ccccc21	494625490	RVDLLJWXQRUUDF-UHFFFAOYSA-N	303.362	1.978	50	20	DDGD	
C[C@](O)(CNCc1cccc(B(O)O)c1)c1ccccc1Cl	585037079	UYLBQLYPCWZOEB-INIZCTEOSA-N	319.597	1.017	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)C1(c2ccc(F)cc2)CCOCC1	823964919	GDWVOQSFDMFVRU-LBPRGKRZSA-N	310.369	1.218	50	20	DDGD	
O=C(NCB(O)O)[C@H](c1ccccc1)c1ccc(Cl)cc1	585062198	CVPXVAPMBBFFPC-CQSZACIVSA-N	303.554	1.600	50	20	DDGD	
CCc1cc(CNC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)n[nH]1	732791114	PHNSYKVSKJRDEH-WLRTZDKTSA-N	322.372	1.714	50	20	DDGD	
CCN(CC(=O)NNC(=O)C1CCCC1)C(=O)OC(C)(C)C	734318191	NZQWOZKWRQFFCR-UHFFFAOYSA-N	313.398	1.581	50	20	DDGD	
C[C@H](c1ccccc1)N1CC[C@H](NCc2cccc(B(O)O)c2)C1	585021555	BIQWTTMOPLNZCG-BEFAXECRSA-N	324.233	1.292	50	20	DDGD	
C[C@H]1CN(C[C@H]2CCCN2S(=O)(=O)CCl)C[C@@H](C)O1	830191249	ZJAFZGDBNDWXTR-GRYCIOLGSA-N	310.847	1.086	50	20	DDGD	
C=CC[C@@H]1N(C(=O)c2cccc(B(O)O)c2)CCCC1(C)C	584983710	ZWDIVDKRCZPBBS-HNNXBMFYSA-N	301.195	1.573	50	20	DDGD	
C[C@]1(C(=O)NCCN2C[C@@H]3CC[C@H](C2)O3)C[C@@H]1Br	909024816	LQRMEYGMCYHLLL-NOHGZBONSA-N	317.227	1.139	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Cc1ccccc1OC1CCCC1	839641833	XCXBKUZNQOWATQ-UHFFFAOYSA-N	319.405	1.260	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2ccc3c(c2)CCCO3)CC1	901228426	XOEGRVRKGNQLHG-UHFFFAOYSA-N	302.378	1.303	50	20	DDGD	
C[C@@H](C[C@@H](C)N)NC(=O)NNC(=O)c1ccc2ccccc2n1	831196400	BHAMUTCUBTWAES-MNOVXSKESA-N	315.377	1.305	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)NC[C@@H]1CC1(C)C	732819702	ADLHDAMKKSSEPR-NSHDSACASA-N	321.377	1.451	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCn2cc(C)cn2)c1F	837056869	DBHCYXBLNCJXGH-UHFFFAOYSA-N	320.324	1.651	50	20	DDGD	
OB(O)c1ccc(CNCCc2cc(C(F)(F)F)ccn2)cc1	585043290	LSWJNFQIXHYDLJ-UHFFFAOYSA-N	324.111	1.113	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1CCc2cccc(O)c21	834933230	NCKUMKTXUOWLHY-LBPRGKRZSA-N	317.389	1.127	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)c1ccc(C(=O)O)s1	738893075	WMSGOCRWJMPUNC-UHFFFAOYSA-N	311.344	1.286	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	838527342	PQRAZIOQQXRIBY-JLLWLGSASA-N	324.331	1.944	50	20	DDGD	
C[C@@H](CN(CCCI)C1CC1)C(=O)O	833516823	YEUAAVFJQKNTPT-QMMMGPOBSA-N	311.163	1.997	50	20	DDGD	
O=S(=O)(CCl)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1	830206112	FTVFJMLPZORLED-VIFPVBQESA-N	324.780	1.907	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)/C=C\c2ccco2)cc1	916830349	OGECNZYGHGNLQO-HJWRWDBZSA-N	313.313	1.387	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCCc2cc(F)ccc21	744387409	RVSNDUUKSWMBQA-UHFFFAOYSA-N	307.369	1.772	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccccc1Cn1cccn1	746122216	UMQJLHCWSMSROE-UHFFFAOYSA-N	312.373	1.883	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1ccc[nH]1)N1CCCC[C@H]1C	916446952	FEULLKFEGMRGSE-NEPJUHHUSA-N	307.398	1.222	50	20	DDGD	
CC(C)Oc1ccc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1	915957780	VGTTXFXWDJGKLV-ZDUSSCGKSA-N	324.402	1.359	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)C1(S(C)(=O)=O)CCC1	846641936	VXNDSQMTAYVGAC-UHFFFAOYSA-N	316.354	1.245	50	20	DDGD	
O=C(NCC[C@H]1CCNC1)NNC(=O)c1cc2ccccc2o1	841939755	YFCDUTCFRFVZFB-LLVKDONJSA-N	316.361	1.376	50	20	DDGD	
CCc1nnc(S[C@@H](C)C(=O)NNC(=O)CC(C)C)s1	849973352	YZJPSMVLHMLHFQ-QMMMGPOBSA-N	316.452	1.775	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(-c2ccc3c(c2)CCO3)no1	910160957	QWTSKPCPUPTSLY-JTQLQIEISA-N	317.345	1.234	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2ccccc2F)C(=O)OC1(C)C	748523101	LJGFNDYNPRMBAW-UHFFFAOYSA-N	306.293	1.239	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1cccc(-n2cnnc2)c1	842548868	DDDOIRXTBVTLBB-IUODEOHRSA-N	313.361	1.533	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1ccncc1)c1cccc(C#N)c1	747508251	CALWLRVMJQZKDO-LBPRGKRZSA-N	323.356	1.587	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@@H]1CCCN2CCCC[C@H]12	847441793	CSDJPDAZBLTUDY-ZIAGYGMSSA-N	308.426	1.524	50	20	DDGD	
CNCc1ccc(NC(=O)NNC(=O)[C@H]2CCCCO2)cc1	841330629	SOXLZXMMFBMFTJ-CYBMUJFWSA-N	306.366	1.128	50	20	DDGD	
CN(C)c1nccc(NNC(=O)COCc2ccccc2)n1	740102926	RLXDWINFVPMHNA-UHFFFAOYSA-N	301.350	1.203	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@]1(O)CCSC1	840547064	IOICOBRBMFDWSE-LBPRGKRZSA-N	316.814	1.565	50	20	DDGD	
CSCCCSCC(=O)NNC(=O)c1cccc(C#N)c1	840213579	IFJONSPHYARKNN-UHFFFAOYSA-N	323.443	1.806	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccc(C#N)cc2)ccc1=O	748125979	FUISARAMDVCDDK-UHFFFAOYSA-N	312.329	1.123	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)OC(C)(C)C)c1C(F)(F)F	918689505	VITYBICAUYZOQV-UHFFFAOYSA-N	308.260	1.608	50	20	DDGD	
C=C[C@H](CC(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1ccccc1	843658057	DNQXCWZAQXNCQB-GUTXKFCHSA-N	302.374	1.919	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1csc(-c2ccc(O)cc2)n1	910166605	BVHVDXJUJWIBDN-SECBINFHSA-N	307.375	1.473	50	20	DDGD	
CC1CCN(C[C@@H](C)C(=O)NN=Cc2ccc(O)c(O)c2)CC1	916363661	XPLUIONRIYZCMC-CYBMUJFWSA-N	319.405	1.916	50	20	DDGD	
CCCn1ncc(NC(=O)NNC(=O)CCCN)c1C1CC1	841255756	MXJVWLPJTOKRLS-UHFFFAOYSA-N	308.386	1.062	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1C[C@H](C)S[C@@H](C)C1	743598930	OZRIBZIFMNLSKA-QWRGUYRKSA-N	323.418	1.875	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@@H]1CCc2cc(F)ccc21	847115301	GUUMTBXIPLOTFB-SNVBAGLBSA-N	319.258	1.748	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(C2CC2)n1	843661055	NEHSSTBQKMIIQE-JQWIXIFHSA-N	303.362	1.453	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCc1cccc(F)n1	748029605	JXOUTPMIGLIGLH-UHFFFAOYSA-N	320.299	1.433	50	20	DDGD	
CC(=O)c1ncc(C(=O)NNC(=O)NC2CCCCC2)s1	840236975	ATDQROCLCXFLFP-UHFFFAOYSA-N	310.379	1.622	50	20	DDGD	
O=C(NCC1CNC1)NNc1ccc(F)cc1Br	841965311	UTCXTICBESLGKH-UHFFFAOYSA-N	317.162	1.434	50	20	DDGD	
CC(=O)NNC(=O)CCSCCCNC(=O)OC(C)(C)C	929182508	NMMZAAOFBAHVJG-UHFFFAOYSA-N	319.427	1.192	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCOc1cccc(F)c1	843647388	YOVHLWKQWQRFQY-ZWNOBZJWSA-N	310.325	1.167	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNC(=O)c1ccc2c(c1)OCO2	841375786	LMJJBEHAIDLGSE-CYBMUJFWSA-N	308.334	1.237	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1C(=O)NNc1ncc(F)cn1	756881099	SQHDYYCXQCQSHO-UHFFFAOYSA-N	307.241	1.289	50	20	DDGD	
CC[C@H](C(=O)NNC(=S)N[C@H](C)C1CC1)N(CC)CC	855100895	LCBXSWZWMLIMRQ-ZYHUDNBSSA-N	300.472	1.401	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)/C=C\SC	751568753	YHUGIPQSAQSLNJ-HJWRWDBZSA-N	318.402	1.623	50	20	DDGD	
O=C(NCC1CC2(C1)OCCO2)NNc1c(F)cccc1F	927082594	GQOHEDUKYIXBGG-UHFFFAOYSA-N	313.304	1.744	50	20	DDGD	
CCc1csc(NC(=O)NNC(=O)c2ccccc2O)n1	756813717	HGWHDAZBCSSTLQ-UHFFFAOYSA-N	306.347	1.878	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@@H]1CCc2cccnc21)C1CC1	855097612	USVXCCFUHWODCX-BXKDBHETSA-N	304.419	1.405	50	20	DDGD	
O=C(NCC[C@@H]1C[C@H]2CC[C@H]1O2)NNc1ncc(Cl)cn1	856915008	FQBQSFJQJLIONU-FBIMIBRVSA-N	311.773	1.714	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cccn(Cc2ccccc2)c1=O	757659189	VJYFSOTVQCQOCI-UHFFFAOYSA-N	314.345	1.459	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNC(=O)c2cccc(Cl)n2)cn1	857326690	ZYWJSFRSEIDRNO-UHFFFAOYSA-N	321.768	1.761	50	20	DDGD	
COc1ncnc(N(C)C)c1NC(=O)NNC(=O)CC(C)(C)C	757708491	HCIFDBKBDHRNCX-UHFFFAOYSA-N	324.385	1.140	50	20	DDGD	
COC1(C(=O)NNc2cc(C(F)(F)F)ccn2)CCOCC1	857514019	OQKRHKIPEPTQFX-UHFFFAOYSA-N	319.283	1.739	50	20	DDGD	
CC(C)C[C@@H](C(=O)NNC(=O)C1CCCC1)N1CCCCC1=O	755155102	ISXAXJFEHCTTIA-AWEZNQCLSA-N	323.437	1.751	50	20	DDGD	
Cc1nc2c(C(=O)NNC(=S)N[C@H](C)C3CC3)ccnc2[nH]1	855097350	OKOONTWOOPSJSO-SSDOTTSWSA-N	318.406	1.174	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ncc(C)cc2OC)n1	754246103	CEALGAXDWPEVDC-UHFFFAOYSA-N	303.322	1.263	50	20	DDGD	
CNc1ccc(C(=O)NN=c2cc[nH]cc2Cl)cc1[N+](=O)[O-]	757417848	RVSDRGDXCXUVLJ-UHFFFAOYSA-N	321.724	1.864	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(C(F)(F)F)ccc1C	756845953	YITWVFLLSRGYPD-UHFFFAOYSA-N	305.256	1.813	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC[C@@H](C(=O)O)C2CCC2)c(C)o1	854239027	SEDHBHUWOKLTAN-GFCCVEGCSA-N	323.349	1.341	50	20	DDGD	
Cc1cc(C)n([C@@H](C)CC(=O)NNC(=O)NCc2ccco2)n1	920855992	MCIUPJCNUNWBLQ-LBPRGKRZSA-N	319.365	1.575	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1c[nH]c2nccc-2c1	854286524	RVEBYEQACKIHPJ-UHFFFAOYSA-N	321.406	1.002	50	20	DDGD	
Nc1c(C(=O)NNC(=S)NCC2CCC2)cccc1[N+](=O)[O-]	855090602	IQYLBYDGLWRXPJ-UHFFFAOYSA-N	323.378	1.086	50	20	DDGD	
CCCCC[C@H]1CCCN1C(=O)NNC(=O)[C@H]1CCC(=O)N1	858697107	QEJNPGBVJFTCEO-NWDGAFQWSA-N	310.398	1.051	50	20	DDGD	
Cc1nnsc1C=NNC(=O)CCCNC(=O)C(C)(C)C	853408281	PAQJXKWYLNDKNR-UHFFFAOYSA-N	311.411	1.239	50	20	DDGD	
C[C@@]1(CNC(=O)CNCC(F)(F)F)C[C@@H]1Br	857007525	NHWLXWQCWGZFKE-XPUUQOCRSA-N	303.122	1.428	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)NCC1(C)CC1	753021937	KUOCCMYOBLFHPY-UHFFFAOYSA-N	321.377	1.595	50	20	DDGD	
CNC(=S)N(C)NC(=O)CSc1ccc(Cl)cc1	854929763	QSHIERLBJDWJLD-UHFFFAOYSA-N	303.840	1.899	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1nc(C(F)(F)F)cs1	857148668	HJAMFWQNNDZZIB-RFZPGFLSSA-N	308.285	1.117	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN(CCC(F)(F)F)CC1CC1	752355600	PLOQAZHMSSEZSO-UHFFFAOYSA-N	323.359	1.844	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)c2cc(S(N)(=O)=O)cn2C)c1	932442584	JKRWZJZBDGZSGC-UHFFFAOYSA-N	322.390	1.046	50	20	DDGD	
CC(C)Cn1cc(C(=O)NNC(=S)N[C@H](C)C2CC2)cn1	855099842	OYYZOKUIDFEFQF-SNVBAGLBSA-N	309.439	1.447	50	20	DDGD	
O=C(CNCC1C2CC3CC(C2)CC1C3)NNC(=O)C1CC1	931824856	UXQAJPZOGOWALO-UHFFFAOYSA-N	305.422	1.206	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc(-c2ccccc2)cc1C	763517299	WXLDUWITBPLIJW-UHFFFAOYSA-N	311.341	1.768	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)cc[nH]1	862516427	RBKJVCHJQRTSJY-JKSUJKDBSA-N	303.362	1.377	50	20	DDGD	
O=C1NCCC[C@@H]1C(=O)NNc1nc2ccccc2[nH]c1=S	869375872	KDZXPPKBLQSYBK-QMMMGPOBSA-N	317.374	1.262	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccccc1Cl)c1ccccn1	764581998	YMQAKGNUCZPLHV-GFCCVEGCSA-N	305.721	1.230	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCC1CN(C(=O)OC(C)(C)C)C1	763179008	NLPZLMRXBZMCAE-ZRDIBKRKSA-N	309.366	1.413	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(-n2cccn2)nn1)c1ccc[nH]1	760866334	LELHWTWLBGMGFX-JTQLQIEISA-N	312.337	1.378	50	20	DDGD	
O=S(=O)(CCCCCl)NC[C@H]1CCCCN1C1CC1	766206055	DGEALRSXSSYGOT-CYBMUJFWSA-N	308.875	1.942	50	20	DDGD	
COC[C@H](NC(=O)CCCC[C@@H]1CCSS1)C(N)=O	760085353	WZTPRPGXUNGRPT-ZJUUUORDSA-N	306.453	1.317	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)c(C)nn1	767163044	ABGJWKAGUSNLCU-UHFFFAOYSA-N	302.309	1.236	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NC1(C(N)=O)CCCC1	768143024	JXKFAQAPNNLXOE-MRVPVSSYSA-N	305.216	1.710	50	20	DDGD	
C[C@H](C(=O)NNc1ncc(F)cn1)c1cccc([N+](=O)[O-])c1	762190401	XJSVRUPDZJEOLT-QMMMGPOBSA-N	305.269	1.771	50	20	DDGD	
CSSCCNS(=O)(=O)c1ccc(F)nc1F	867242247	CXMXYBSFGNHDHZ-UHFFFAOYSA-N	300.377	1.649	50	20	DDGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)C1(O)CCCC1	873786213	WZVVKOAQWHCKON-UHFFFAOYSA-N	313.810	1.963	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1cnn(-c2cccnc2)c1	768512831	PKZPKTKYGICNEO-UHFFFAOYSA-N	319.328	1.901	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1	763817546	NNBRCPDLBAQJCA-UHFFFAOYSA-N	317.267	1.447	50	20	DDGD	
O=C(NNC(=O)c1ncoc1[C@H]1CCCO1)NC1CCCCC1	1116072015	LLVOWWCYSNRVFZ-LLVKDONJSA-N	322.365	1.803	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C[C@@H]2CCC(=O)N2)cc1C	873763786	JSKCDCFNNVUZLJ-LBPRGKRZSA-N	320.418	1.290	50	20	DDGD	
CC#CCCNC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	776204948	GNASNGYRTGZHEA-CQSZACIVSA-N	317.389	1.815	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)C1CCSCC1	777439015	NKDIQLMMCYFQAE-UHFFFAOYSA-N	306.391	1.655	50	20	DDGD	
O=C(NNc1ncccn1)Nc1nnc(CC(F)(F)F)s1	775683674	YWBOMIJELBBDGY-UHFFFAOYSA-N	319.272	1.582	50	20	DDGD	
CC1=CCC[C@H](C)[C@@H]1C=NNC(=O)Cc1cc(O)nc(O)n1	773202870	DOMNKQOHCYJYMQ-CMPLNLGQSA-N	304.350	1.525	50	20	DDGD	
CC1=CCC[C@H](C)[C@@H]1C=NNC(=O)[C@H](C)NS(C)(=O)=O	773207010	JVBCJBUIPLWOIV-SDDRHHMPSA-N	301.412	1.019	50	20	DDGD	
CCc1cnccc1CNC(=O)NNC(=O)c1ccccc1F	779409146	GVMLOAVNCODJNU-UHFFFAOYSA-N	316.336	1.927	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@H](NC(=O)NNc2ccc(C#N)cn2)C1(C)C	888756544	OJNPGSWWVPEDGC-JIMOISOXSA-N	303.366	1.639	50	20	DDGD	
N#CCc1ccccc1CC(=O)NNC(=O)c1ccc(C#N)cc1	776975204	NXZSPRCAHRWWIF-UHFFFAOYSA-N	318.336	1.628	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1F)[C@@H]1CCCCS1(=O)=O	885107566	JORFMEDDKAPLCT-NSHDSACASA-N	320.773	1.890	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)N1CCCCCC1	883087476	YLAZRFUISKKBGB-UHFFFAOYSA-N	307.350	1.388	50	20	DDGD	
C[C@@H]1CC[C@@H](NC(=O)NNC(=O)COc2ccccc2F)C1	780783456	CUDWUAUIXXZHCS-GHMZBOCLSA-N	309.341	1.724	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)C1CCOCC1	883064057	NJPKTINATBJAJP-WDEREUQCSA-N	324.327	1.642	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cn1	788260718	FVAPSXVTYMRDDY-UHFFFAOYSA-N	315.289	1.106	50	20	DDGD	
N#CC1=CCN(C(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)CC1	780688009	UPQSVZGXXZPZAB-AWEZNQCLSA-N	301.390	1.850	50	20	DDGD	
COc1ccc(NNC(=O)Nc2ccc(C(N)=O)cc2F)nc1	782049093	NSTYGZKNUPJWPQ-UHFFFAOYSA-N	319.296	1.477	50	20	DDGD	
Cc1c(CC(=O)NN=c2cc[nH]cc2)nnn1-c1ccccc1	780760838	DQFYDHWBBGJUFP-UHFFFAOYSA-N	308.345	1.078	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCCOCc1ccccc1	887143207	PWLGBHAXVCOKBB-UHFFFAOYSA-N	302.374	1.934	50	20	DDGD	
CC(C)(C)c1cn(CC(=O)NNC(=O)c2ccccc2)nn1	880996454	AKJGTHRUQWBBNY-UHFFFAOYSA-N	301.350	1.037	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCOC2(CCC2)C1)NC1CCCCC1	899940629	SNLMYNRULRKSSW-GFCCVEGCSA-N	309.410	1.999	50	20	DDGD	
Cc1cccnc1NNC(=O)NCc1ncnn1-c1ccccc1	787883665	WRSKMNCMGQYTNO-UHFFFAOYSA-N	323.360	1.797	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc([N+](=O)[O-])cc1Cl	783832433	GTOYWIMQGUYIFV-UHFFFAOYSA-N	314.729	1.918	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)[C@H]2CCCCS2)c1	783603229	NLKXRBBHYOLJMB-GFCCVEGCSA-N	314.432	1.819	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NNc2ncncc2Cl)n1	781818694	GMFGBXJRLFEMMB-UHFFFAOYSA-N	324.797	1.772	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2nccn2C)c1	780832296	SUFJAPDSLWHJEU-UHFFFAOYSA-N	303.322	1.033	50	20	DDGD	
C[C@@H](C#N)CNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	781942787	GTQDKNHEMWDEDP-HXTFMFRQSA-N	304.394	1.693	50	20	DDGD	
CCc1ccc(C(=O)NNc2ccnc(N(C)C)n2)c(O)c1	788001819	OXRPNFNERIWRNU-UHFFFAOYSA-N	301.350	1.568	50	20	DDGD	
CCOCC(=O)NNC(=S)Nc1cc(Cl)ccc1OC	792680082	BIRFGHBAYYNUOM-UHFFFAOYSA-N	317.798	1.703	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCc2scnc2C)n1	792903700	KQERETUJUCHYQT-UHFFFAOYSA-N	305.363	1.299	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@@H]2CCC(=O)c3cccn32)n1	790768078	SHOLSVOCJTTXPV-NSHDSACASA-N	314.349	1.005	50	20	DDGD	
COc1ccc(CCC(=O)NN=Cc2c(C)cnn2C)cc1	794901293	LCJSIOOFBYTBRY-UHFFFAOYSA-N	300.362	1.820	50	20	DDGD	
COc1ccc2c(c1)CC(=NNC(=O)C[n+]1ccccc1)CC2	794455309	DLAZMUMVUOHXPO-UHFFFAOYSA-O	310.377	1.644	50	20	DDGD	
O=C(NNc1ccc(F)cc1)C(=O)Nc1cccc2c1CCO2	796989087	NNKMNEDGVQQOPV-UHFFFAOYSA-N	315.304	1.842	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1cc(C2CC2)no1	799407742	YUDNHDJQSWEZKA-UHFFFAOYSA-N	303.293	1.695	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)cc1)c1cc(C)on1	790286750	DHPKDVCOZIPPIV-UHFFFAOYSA-N	300.318	1.770	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1cnc2ccsc2c1	790175132	AGNNFYRRQXPSCE-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NNC(=O)CCc1ccccc1	795910902	GWVBEMPIANUYIQ-LRDDRELGSA-N	319.405	1.317	50	20	DDGD	
CN1CCN([C@@H](CNC(=O)CCl)c2cccs2)CC1	1319785805	MREBAZFWHRIVQX-NSHDSACASA-N	301.843	1.392	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCC[C@@H](F)C2)cc1	1328118566	BIOKEPBOJXGPBS-CHWSQXEVSA-N	304.325	1.783	50	20	DDGD	
C[C@]1(CNC(=O)CNC[C@H]2CCCO2)C[C@H]1Br	1328591131	ZTDWIFUPULZTNK-CKYFFXLPSA-N	305.216	1.045	50	20	DDGD	
Cn1ccc(NNC(=O)c2nn(-c3ccccc3)c3c2CCC3)n1	1320983338	ZKIIQOQMXZRINE-UHFFFAOYSA-N	322.372	1.851	50	20	DDGD	
Cc1ccsc1CCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	1329239500	KWTBSQDLCVNSNR-WDEREUQCSA-N	311.407	1.354	50	20	DDGD	
CC(C)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)C2CCNCC2)CC1	1331457366	VQVFRDZSGCXEGD-UKRRQHHQSA-N	324.469	1.921	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCc2cc(C3CC3)nn2C)cn1	1333558239	RFVGNALQZMILPZ-ACAGNQJTSA-N	310.361	1.254	50	20	DDGD	
Cc1cccc(CN2CCCC[C@H]2C(=O)NN(C)[C@H](C)CO)c1	1336011745	YXAORPZQIYWISH-WBVHZDCISA-N	319.449	1.693	50	20	DDGD	
Cc1nc(N(C)C)sc1C(=O)NNC(=O)CC(F)(F)F	1337383236	ZZNQBVYDUMMPDT-UHFFFAOYSA-N	310.301	1.231	50	20	DDGD	
Cc1nn(C)cc1CC(=O)OC[C@]1(C)C[C@H]1Br	1263536846	FZXJOXNQMGALGK-PWSUYJOCSA-N	301.184	1.988	50	20	DDGD	
Cc1cn(CC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c2ccccc12	1261501114	QACREIPEQQAQGX-TZMCWYRMSA-N	315.373	1.522	50	20	DDGD	
CCC1(CNC(=O)C(=O)NC[C@@]2(C)C[C@@H]2Br)CC1	1261766580	KSFVWLVKWWSWOT-JOYOIKCWSA-N	317.227	1.583	50	20	DDGD	
C[C@]1(C(=O)N2CCc3nnc(O)cc3C2)C[C@@H]1Br	1262171838	IQNRQLFWHPIIOT-CABZTGNLSA-N	312.167	1.240	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)Cc2ncc(C)s2)cc1	1344716599	DWYGKJMWQQBVMB-UHFFFAOYSA-N	320.374	1.856	50	20	DDGD	
Cc1cccc(NNC(=O)c2cc(-c3nn[nH]n3)cs2)n1	1605919780	OTFLFHLWNNBQQH-UHFFFAOYSA-N	301.335	1.389	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1c(Cl)ccc2cccnc12	1608754367	ZZCUAMOIPADKAB-UHFFFAOYSA-N	306.709	1.606	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1ccc(-c2nn[nH]n2)cc1	1604717804	MGUKQAUZTHKVHR-UHFFFAOYSA-N	300.149	1.742	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)Nc2ccc(F)cn2)cc1	1602128039	KXRPLDRDBFSFBA-UHFFFAOYSA-N	304.281	1.996	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)[C@H]2CCn3cncc3C2)cc1	1602127773	YNRMDKYPTFCPCN-LBPRGKRZSA-N	314.345	1.216	50	20	DDGD	
Cc1ccc(NNC(=O)c2ccc(C(N)=O)s2)cc1C(=O)O	1600461365	HAIVBBFZCMCXJX-UHFFFAOYSA-N	319.342	1.611	50	20	DDGD	
COC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CC1)C2	1802282343	CRUJXURIOJRXCI-YVECIDJPSA-N	314.813	1.288	50	20	DDGD	
COCC(C)(C)CNC(=O)NNc1cccc(C(=O)O)c1F	1610242414	JMWMGNDXPLYRGR-UHFFFAOYSA-N	313.329	1.823	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C=NNC(=O)c1cccnn1	1552925173	HUSNYPSMSDTWRH-SMDDNHRTSA-N	314.349	1.094	50	20	DDGD	
COC(=O)Nc1ccc(C(=O)NNC(=O)CCCCCN)cc1	1578828186	SFFCYNFXPVDULN-UHFFFAOYSA-N	322.365	1.145	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ncccc1C(=O)O	1589113764	QOKFSQCXNNGBGN-MRVPVSSYSA-N	324.337	1.136	50	20	DDGD	
CCn1ccc(CNC(=O)NNc2ccc(CC(=O)O)cc2)n1	1597905049	UCZZQBZZDAHRLZ-UHFFFAOYSA-N	317.349	1.356	50	20	DDGD	
CN(NC(=O)Nc1nc(CCC(=O)O)cs1)c1ccccn1	1598541923	SZFNKABAFWCCOA-UHFFFAOYSA-N	321.362	1.728	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H](C(=O)NNc2ccc(C(=O)O)cn2)C1(C)C	1594122601	PRRJZMWNMOUXLG-ONGXEEELSA-N	319.361	1.864	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1845164737	YAKMHRHMGOUARI-RKDXNWHRSA-N	311.184	1.742	50	20	DDGD	
COCc1ccc(C(=O)NNc2ccc(CC(=O)O)cc2)o1	1599290436	ZIBGCHCSXHISPV-UHFFFAOYSA-N	304.302	1.810	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@]12CCC[C@H]1OCC2	1593164715	KBZKYHIYIWHZKO-DOMZBBRYSA-N	314.349	1.269	50	20	DDGD	
CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2	1795542686	SINDFUPMEHQRMM-WRWGMCAJSA-N	316.829	1.270	50	20	DDGD	
CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC1)C2	1799270975	GINQSMONAFFSMP-YVECIDJPSA-N	314.813	1.003	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)/C=C/c1ccco1	5880634	XQAITQSWOWXHGB-CMDGGOBGSA-N	316.313	1.528	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COc2ccc(F)cc2)c1	18101352	MGDJTLGPTYUNEA-UHFFFAOYSA-N	302.305	1.974	50	20	DDGD	
C[C@@H](C(=O)NNc1ncnc2nc[nH]c12)c1c(F)cccc1F	162274187	KKOXEVYOWKYJCZ-SSDOTTSWSA-N	318.287	1.878	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCCCOCC1CC1	158468204	JPRYGYDYSGXDAB-UHFFFAOYSA-N	319.405	1.766	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H]2C=CCCC2)cc1	158735035	SVKMHGXPHFFPGE-ZDUSSCGKSA-N	303.362	1.813	50	20	DDGD	
CC(=O)NNC(=O)Nc1nnc(Cc2ccccc2F)s1	163312647	HLIULGZEGIMYFM-UHFFFAOYSA-N	309.326	1.441	50	20	DDGD	
Cc1ccc(C)c(OCCC(=O)NNC(=O)c2cc(C)n[nH]2)c1	153120158	UMGODLDHDQJFGR-UHFFFAOYSA-N	316.361	1.565	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cccc(C)c1C	156120627	FYSDKAUNHXOEJQ-UHFFFAOYSA-N	305.378	1.369	50	20	DDGD	
Cc1ccc(C)c(NC(=O)C(=O)NNc2nc(C)cc(C)n2)c1	156258074	SNRMRZSCSNNVQO-UHFFFAOYSA-N	313.361	1.792	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cc(C(C)C)on1	156850824	WDXAZFBZQBMTHH-UHFFFAOYSA-N	303.318	1.881	50	20	DDGD	
COC(=O)[C@@H](C)CSCC(=O)NNC(=O)c1cccs1	78820469	ZXAUOLAVROUSDH-QMMMGPOBSA-N	316.404	1.051	50	20	DDGD	
CC(C)(C=NNC(=O)C(F)F)N1C(=O)c2ccccc2C1=O	782269331	SMAFSZAZZPSTJB-UHFFFAOYSA-N	309.272	1.428	50	20	DDGD	
COc1ccc(OCCCC(=O)NNC(=O)c2ccc[nH]2)cc1	6991761	KKKUXXCISSPXLU-UHFFFAOYSA-N	317.345	1.644	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@@H]1CCCc2ccccc21	108928573	HPYZMXSTVSBDQT-ZDUSSCGKSA-N	305.378	1.473	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2C[C@@H](C)C[C@@H](C)C2)n1	8307213	VDWFKKYYDOGRBV-PHIMTYICSA-N	324.450	1.119	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCCc1ccco1	9977142	WGWMFZBLBRJRJC-UHFFFAOYSA-N	305.309	1.534	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCCCCC#N)cc1	171450099	IOPIUPGXHVWBHJ-UHFFFAOYSA-N	304.350	1.398	50	20	DDGD	
CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NNc1ncccn1	110049607	SMRMXGXEKMJVPX-NEPJUHHUSA-N	320.397	1.140	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CCCc2ccccc2)cnn1C	68053044	YDAJURPLGKBOLF-UHFFFAOYSA-N	300.362	1.512	50	20	DDGD	
CCNC(=O)NNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C	64940175	QSCDQSDKEIKMQQ-UHFFFAOYSA-N	313.423	1.741	50	20	DDGD	
Cc1cccc(C(=O)NNc2nc3ccccc3c(=O)n2C)n1	113188723	PQNSFHZZPIEODI-UHFFFAOYSA-N	309.329	1.394	50	20	DDGD	
Cc1cc(C)c(CC(=O)NNC(=O)Cc2cc[nH]n2)c(C)c1	186159677	WDFRISLLXMZYKX-UHFFFAOYSA-N	300.362	1.268	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)c2cc(Cl)ccc2O)cn1	114536873	JFJLRWOINBBSTR-UHFFFAOYSA-N	308.725	1.337	50	20	DDGD	
CC(C)OCCC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	112824443	WZNRTXOVWDOMDW-UHFFFAOYSA-N	316.361	1.448	50	20	DDGD	
CCOC(=O)[C@@H](CC(C)C)NNC(=O)c1ccccc1OC	180991110	KRXDNDBOXDFVER-CYBMUJFWSA-N	308.378	1.907	50	20	DDGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)[C@@H]1COCCO1	178468331	HEHGCLFIPFXBHO-NSHDSACASA-N	320.267	1.486	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc2[nH]nnc2c1	67439577	SFWWUOKCVLWFIM-UHFFFAOYSA-N	311.301	1.041	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H](C)C(C)(C)CN(C)C)n1	119641131	DRTVCERBHZOWHE-LLVKDONJSA-N	324.429	1.396	50	20	DDGD	
COc1ccc(Cl)cc1CC(=O)NNc1nnc(C)c(O)n1	23311331	FLGBRIUAQWZCMT-UHFFFAOYSA-N	323.740	1.233	50	20	DDGD	
CCc1cccc(NC(=S)NNC(=O)NCCCOC)c1	64937308	RIONOIDAGRIYPP-UHFFFAOYSA-N	310.423	1.786	50	20	DDGD	
COCCC1(C(=O)NNC(=O)CNc2ccc(C)cc2)CC1	126926378	WMKHCABSHMWBPP-UHFFFAOYSA-N	305.378	1.371	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)NCCCOC)s1	65205290	ZTHYPLPWNMHXKY-UHFFFAOYSA-N	314.411	1.385	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNC(=O)Nc1ccccc1C)C(C)C	120651542	DWTNQONDIGRWLG-CYBMUJFWSA-N	306.366	1.308	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cc(C)cc(C)c2)nc1	124309220	HJOXGCYFOICLTJ-UHFFFAOYSA-N	314.345	1.789	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Cc1cncs1	188356044	DYZQLQWCKGAHBQ-UHFFFAOYSA-N	305.359	1.084	50	20	DDGD	
CC(C)n1ncc2ccc(NC(=O)NNC(=O)CN(C)C)cc21	186744017	JFFPYJWITSSOFY-UHFFFAOYSA-N	318.381	1.332	50	20	DDGD	
CCS(=O)(=O)C[C@@H](C)NC(=O)NNc1cccc(C#N)c1	72684464	TXFRFUZTFZSVCE-SNVBAGLBSA-N	310.379	1.008	50	20	DDGD	
COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NNc2cnccn2)c1	187958406	YMXILGCLYCACHZ-AAEUAGOBSA-N	314.345	1.741	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)c2ccccc2OCC(N)=O)c1	129046960	NCVPGUPMGWGSHD-UHFFFAOYSA-N	313.357	1.924	50	20	DDGD	
CCC(=O)N1CC[C@@H](NC(=O)NNc2cc(Cl)ccn2)C1	181525553	ZZAVAELHIVJHSX-SNVBAGLBSA-N	311.773	1.372	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1ccc([N+](=O)[O-])o1	124398459	VNJBBVCQXZBCNA-UHFFFAOYSA-N	319.273	1.166	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN(CC(C)C)C2CC2)n1	37170698	QFBAEWKRFJBXAG-UHFFFAOYSA-N	324.450	1.262	50	20	DDGD	
CSCC[C@H](NC(N)=O)C(=O)NNc1ccccc1Cl	120772056	VXDNMZGQKFPBKX-JTQLQIEISA-N	316.814	1.573	50	20	DDGD	
CC(C)OCCCC(=O)NNC(=O)COCc1ccccc1	182775730	UGSFNVNMPYSGPA-UHFFFAOYSA-N	308.378	1.556	50	20	DDGD	
Cc1cc(F)cc(NC(=O)NNC(=O)Cc2ccncc2)c1	183280615	NXODLRKJWMIRFJ-UHFFFAOYSA-N	302.309	1.925	50	20	DDGD	
CN(NC(=O)c1cccc(OCc2cccnc2)c1)C(N)=O	181078034	DDOULKGWKCKNMW-UHFFFAOYSA-N	300.318	1.316	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2c(C)nn(C)c2C)c1	78390559	PGEKKOACRAXEMK-UHFFFAOYSA-N	316.361	1.185	50	20	DDGD	
CNC(=O)NNC(=O)[C@H](C)Oc1ccc(Br)cc1	48949394	SHRDCFKHDDXDTD-ZETCQYMHSA-N	316.155	1.177	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)CCC(C)(C)C)C[C@H](C)O1	130217891	OUUTWPVKKCXSRB-STQMWFEESA-N	313.442	1.459	50	20	DDGD	
COC(=O)CN(C[C@H](C)CBr)C1CCOCC1	133841910	SJSSFKNPYQZIAG-SNVBAGLBSA-N	308.216	1.671	50	20	DDGD	
CN(C)C(=O)NNC(=O)CCc1nc(-c2cccs2)no1	194927534	CILCNGUHHIEVML-UHFFFAOYSA-N	309.351	1.033	50	20	DDGD	
O=C(CCCCN1CCOCC1)NNc1nccnc1Cl	192638621	RGLGOSGKVZMOJV-UHFFFAOYSA-N	313.789	1.076	50	20	DDGD	
C[C@H](C#N)Oc1ccc(/C=C(\C#N)S(=O)(=O)NC2CC2)cc1	191481988	QIPZHCJOTBPWRN-OXFWXOROSA-N	317.370	1.924	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21	132361902	VDEMEMNIYLQJCA-HYVNUMGLSA-N	322.368	1.293	50	20	DDGD	
O=C(NCC1CC1)C(=O)NNc1cccc(Br)c1	191930771	QWXYWCXMFIAMRG-UHFFFAOYSA-N	312.167	1.418	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1nc(-c2cccs2)no1	194782589	XHIWRYKXQWMKHH-VQHVLOKHSA-N	304.331	1.858	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1nc2c(s1)CN(CC)CC2	255865409	ZAICTESGVQXOHO-NTMALXAHSA-N	306.391	1.904	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccn(-c2ccccc2)n1	255572838	GFRFVMNNQNCAET-OWBHPGMISA-N	310.357	1.932	50	20	DDGD	
C[C@@H](O)C[C@H](CNC(=O)NNC(=O)C1CCC1)c1ccccc1	268313586	IEDWCRMNYXILPG-IUODEOHRSA-N	319.405	1.672	50	20	DDGD	
Cc1cccc(C)c1OCC(=O)NNC(=O)[C@@H]1CCCCO1	269330670	DDYYEPHFWJGBMP-ZDUSSCGKSA-N	306.362	1.399	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccccc1F)N1CCSCC1	269644691	AAJLLBQWEPRZKF-SNVBAGLBSA-N	311.382	1.024	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNC(=O)C1CCC1)c1ccccc1	264704351	BVTIAJNBAVCFQU-AWEZNQCLSA-N	304.394	1.420	50	20	DDGD	
Cc1cc(C(=O)NNc2cccnn2)c2cnn(C(C)C)c2n1	265558834	SHGZMKRHYXLPQG-UHFFFAOYSA-N	311.349	1.868	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1cc(-c2ccccc2)cnc1C	368118474	LQWYEKXYVAAIGG-UHFFFAOYSA-N	312.329	1.163	50	20	DDGD	
CCCN(NC(=O)C[C@H]1CCCC(=O)N1)C(=O)OC(C)(C)C	365612725	YUUXAKKRVIVOKV-LLVKDONJSA-N	313.398	1.724	50	20	DDGD	
COC(C)(C)CC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	278374139	ZWKIKDVJHLAOEE-SNVBAGLBSA-N	312.341	1.556	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCC1(N(C)C)CCC1	275449013	LKDLDGAJNDHBIN-UHFFFAOYSA-N	319.409	1.815	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(Cl)cc1O	278764464	KNROABTZCCBJQJ-DGCLKSJQSA-N	324.764	1.788	50	20	DDGD	
O=S(=O)(CBr)N[C@H]1C[C@H]1Cc1ccccc1	272806115	MEWWLUWUPQXCRG-MNOVXSKESA-N	304.209	1.889	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1cccc2cc(C)cnc12	274326857	DYKHRASHQVKYKB-UHFFFAOYSA-N	322.390	1.398	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCC2([C@H](O)C(C)C)CC2)n1	279724959	VDKBJDULYRUUAO-CYBMUJFWSA-N	320.393	1.131	50	20	DDGD	
O=C(NNc1ccc(-n2cccn2)nn1)NOC1CCCC1	271694682	FYAVNTPFKJHLLG-UHFFFAOYSA-N	303.326	1.163	50	20	DDGD	
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NNc1cccc(OC)n1	272422073	DNVGCHVSORDYIT-ZJUUUORDSA-N	309.370	1.020	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2ccncc2C)n1	274595291	LAPKUVUNZZUUJL-UHFFFAOYSA-N	300.366	1.783	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)CSc2ccccc2O)O1	270721361	RHGXJNSNTWILLY-ZYHUDNBSSA-N	324.402	1.589	50	20	DDGD	
CSc1ccc(C)c(NC(=O)C(=O)NNC(=O)C2CCC2)c1	274031402	DEGKIBBZKDSBQC-UHFFFAOYSA-N	321.402	1.603	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCS1)c1cccc([N+](=O)[O-])c1	272940376	IMRAZPCJEKXUSA-NSHDSACASA-N	309.347	1.642	50	20	DDGD	
O=C(O)c1cccc(NS(=O)(=O)CCCCCl)c1O	276467279	GNQSIMGGQDBBGS-UHFFFAOYSA-N	307.755	1.851	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1nc(C2CCC2)cs1	279457471	UDNWZQIDLJSXHG-QMMMGPOBSA-N	324.406	1.543	50	20	DDGD	
CSSCCNC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1	376953082	MXLCRSSUJOSBAG-NWDGAFQWSA-N	319.496	1.238	50	20	DDGD	
C/C=C(/CC)C(=O)NNC(=O)Cc1nc2ccccc2n1C	276460660	NXRMNHAUYSLXSF-WCIBSUBMSA-N	300.362	1.620	50	20	DDGD	
Cn1c(NNC(=O)[C@@]2(C)CCCOC2)nc2ccccc2c1=O	272686433	DBZILECTQJYAFL-INIZCTEOSA-N	316.361	1.193	50	20	DDGD	
C[C@@H]1CN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CC[S@@](=O)C1	277563294	NLNQEBZZUKOURJ-CYWYBKAUSA-N	320.389	1.960	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2COc3ccccc3C2)n1	373752560	OSDMTNJIJWJZCL-CYBMUJFWSA-N	311.341	1.402	50	20	DDGD	
COc1cccc(NNC(=O)[C@H]2COc3ccc(F)cc3C2)n1	376850838	HBWAFOCDJJHOIQ-LLVKDONJSA-N	317.320	1.924	50	20	DDGD	
CC(C)[C@H](NC(=O)NN(C)c1ccccc1)c1nncn1C	286755563	FOSQPCXISXEKST-ZDUSSCGKSA-N	302.382	1.863	50	20	DDGD	
COCc1ncc(C(=O)NNC(=S)N[C@@H](C)C2CC2)s1	286428658	GYAVTQKLVPRFKT-ZETCQYMHSA-N	314.436	1.197	50	20	DDGD	
COC(=O)N(C)NC(=O)Cc1c(C)nn(-c2ccccc2)c1C	286395619	OXMILGBYRAKOQB-UHFFFAOYSA-N	316.361	1.761	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(NC(=O)NC(C)C)cc1	288456373	PRQKYHDGFWZTGN-UHFFFAOYSA-N	308.382	1.440	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)COc1cc(C)cc(C)c1	280631387	UOVXSNYPZIYQBV-MRXNPFEDSA-N	308.378	1.645	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNc1nc(C(F)(F)F)cs1	288072862	VGXHKGZBXGJQTG-UHFFFAOYSA-N	311.285	1.947	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)[C@@H](F)C(F)(F)F	289484834	ISWPEEMFCLBNMC-SNVBAGLBSA-N	318.230	1.084	50	20	DDGD	
O=C(NNC(=O)[C@]1(O)CCSC1)Nc1ccc(Cl)cc1	283679738	HIDWXGUYJTXPGH-LBPRGKRZSA-N	315.782	1.361	50	20	DDGD	
O=C(CCOCC(F)(F)C(F)F)NNc1ncncc1F	294153501	VFJSPBBDPPNGKF-UHFFFAOYSA-N	314.214	1.366	50	20	DDGD	
O=C(NCc1ccc2c(c1)OCCO2)NNc1cccc(F)n1	804860203	XLBRNNASRAQUTF-UHFFFAOYSA-N	318.308	1.818	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)C2(C#N)CCCCC2)n1	299132023	NBZVTYUYOVXLQR-UHFFFAOYSA-N	303.366	1.121	50	20	DDGD	
CC(C)(C)OC(=O)NC(C)(C)C(=O)NNC(=O)c1ccncc1	299281108	CQUXTZAKFIISCV-UHFFFAOYSA-N	322.365	1.146	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802099389	PUOLVUWGXWOWIO-ZANVPECISA-N	323.349	1.629	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2c(C)nsc2C)n1	292254407	PMGOJMVHXIRZHH-UHFFFAOYSA-N	307.379	1.034	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCCOC(C)(C)C	803753199	PANSPNYGGAZVSZ-SNVBAGLBSA-N	302.371	1.071	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCN1C(=O)c1cccs1)C1CC1	298131098	AMJCLDIWVNUTFX-NSHDSACASA-N	321.402	1.300	50	20	DDGD	
CCCCN(C)C[C@H](C)NC(=O)NNc1ccc(Cl)nn1	290880594	BWOPNLDJCQPTKC-JTQLQIEISA-N	314.821	1.877	50	20	DDGD	
Cc1ccc2cc(C(=O)NNC(=O)N=c3cc[nH]cc3)[nH]c2c1	802031394	HVKGYAVRCRBQAG-UHFFFAOYSA-N	309.329	1.760	50	20	DDGD	
C[C@@H](NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)c1ccsc1	802391694	ZRGJVXWUHSPHLO-SKDRFNHKSA-N	317.436	1.190	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1)C(C)C	297907488	IHEIGZXOUAZQRD-BXUZGUMPSA-N	321.352	1.581	50	20	DDGD	
N#Cc1ccncc1C(=O)NNC(=O)c1ccc(Cl)cc1F	805188655	NTCRUNRELMGOOT-UHFFFAOYSA-N	318.695	1.821	50	20	DDGD	
CC[C@H](C)Oc1cc(C(=O)NNC(=O)[C@H]2CCCCO2)ccn1	295365772	JQBGVUWNIRNDPX-WCQYABFASA-N	321.377	1.589	50	20	DDGD	
O=C(NNC(=O)c1cocn1)Nc1ccc(OC(F)F)cc1	802046932	NGPRGBBQTKVJCH-UHFFFAOYSA-N	312.232	1.743	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2O)cn1	806536256	JDYUSOWWUZVZLK-UHFFFAOYSA-N	320.736	1.557	50	20	DDGD	
O=C(NNc1ncncc1F)c1cc(Cl)cc([N+](=O)[O-])c1	817081444	BLNCIFVVIJETKQ-UHFFFAOYSA-N	311.660	1.934	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc3c(c2)C(C)(C)CO3)cn1	810416862	BYYNHKLIWGPSCD-UHFFFAOYSA-N	314.345	1.165	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(-c2ccccn2)cc1	810384801	HTUUZZMOUNZXTN-UHFFFAOYSA-N	312.329	1.245	50	20	DDGD	
CC(C)(C)Oc1ccc(C(=O)NNC(=O)CC(F)(F)F)nc1	814311450	RASWGTIFXAELCF-UHFFFAOYSA-N	319.283	1.972	50	20	DDGD	
CC(=O)NCc1ccc(C(=O)NNc2ncncc2F)cc1	817067214	IJOPAOIHZUNEON-UHFFFAOYSA-N	303.297	1.009	50	20	DDGD	
CO[C@@H]1CCC[C@H](C(=O)NNC(=O)c2ccc(Cl)nc2)C1	814405574	ADXKVYQHJYSMDP-GXSJLCMTSA-N	311.769	1.701	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)Nc2ccc(Cl)cc2)cnn1C	816595314	IYGRISJTRFADDB-UHFFFAOYSA-N	321.768	1.777	50	20	DDGD	
COCCC(COC)=NNC(=O)[C@H](C)CN1CCC(C)CC1	812224362	AMFJTLRDUPMRKA-CQSZACIVSA-N	313.442	1.510	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1ccccc1OCc1cscn1	816633642	INMHUFBEMLXWEE-UHFFFAOYSA-N	316.346	1.597	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)Cn1ccc2ccccc21)C1CC1	812499999	STLLZWJVYGRNHE-KRWDZBQOSA-N	315.373	1.604	50	20	DDGD	
Cc1[nH]nc(C(=O)NNC(=O)CC2CC2)c1Br	819118200	NWCQNAXIVKHNGU-UHFFFAOYSA-N	301.144	1.042	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNC(=O)Nc1ccc(Cl)cc1	813573770	HWAIOVSDOWATES-UHFFFAOYSA-N	320.736	1.714	50	20	DDGD	
COCCOC(=O)c1c(C)[nH]c(C(=O)NN(C)C2CC2)c1C	819646763	DICVECWSERDUCJ-UHFFFAOYSA-N	309.366	1.174	50	20	DDGD	
O=C(NNc1cc(Cl)nc(Cl)c1)[C@@]1(O)CCSC1	819747806	XEWVKDUSOSTIOD-SNVBAGLBSA-N	308.190	1.700	50	20	DDGD	
O=C(NN=Cc1cnn(CC(F)F)c1)c1ccc(Cl)nc1	814218462	OQKCBORVPKMMJS-UHFFFAOYSA-N	313.695	1.961	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CCc1ccn(C)n1	816663317	QVEWYWOAWKPVQY-UHFFFAOYSA-N	303.322	1.713	50	20	DDGD	
CCc1ccc(C(C)=NNC(=O)[C@H](C)NS(C)(=O)=O)cc1	728436654	HVIYZGUKZMGLMM-NSHDSACASA-N	311.407	1.027	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cc(C2CC2)[nH]n1	826448966	VIYPCQDKDANRDU-UHFFFAOYSA-N	310.321	1.224	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNc1ncnc2ccsc12)C(C)C	821026585	ZGNPAPYJYZPEOQ-JTQLQIEISA-N	322.390	1.970	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)n1	495568309	DMFHCWWBSGLDMD-LLVKDONJSA-N	321.381	1.546	50	20	DDGD	
CCCN(CCC)C(=O)CCC(=O)NNC(=O)OC(C)(C)C	491226121	QUUHFNGIFVOCGC-UHFFFAOYSA-N	315.414	1.971	50	20	DDGD	
O=C(C[C@@H]1CC(=O)NC1=O)NNc1ccccc1C(F)(F)F	827801838	MXICNGCBHOLVRK-ZETCQYMHSA-N	315.251	1.201	50	20	DDGD	
Cn1cc(C(=O)NN=C2CCC[C@H]2NC(=O)OC(C)(C)C)cn1	494692184	BDQWGNIMEZLGNI-LLVKDONJSA-N	321.381	1.583	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=C1CCO[C@@H]1C	496152705	QRSKIFQYPDUUSV-ZYHUDNBSSA-N	309.366	1.184	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CCS[C@@H]2C)cc1	828525460	ROVSBYPYGXQVOU-YPMHNXCESA-N	323.418	1.598	50	20	DDGD	
C[C@H](CC(=O)NN(C)[C@H](C)CO)C(=O)c1ccc(Cl)cc1	823940296	WLIVQRASILPBLD-GHMZBOCLSA-N	312.797	1.893	50	20	DDGD	
Cc1cc(C(=O)NCB(O)O)c(C)n1-c1ccc(C(C)C)cc1	585061234	SSISRDBVQNBXFV-UHFFFAOYSA-N	314.194	1.959	50	20	DDGD	
O=C(NNC(=O)c1cccc(OC(F)F)c1)c1ccc(O)nc1	728488466	YLUMNDVHDXWTFY-UHFFFAOYSA-N	323.255	1.463	50	20	DDGD	
C[C@@H](c1ccccc1)c1cc(C(=O)N2CC[C@@H](B(O)O)C2)n[nH]1	585066031	IKOGGDGVTMSXEN-WCQYABFASA-N	313.166	1.250	50	20	DDGD	
CC(=O)NNC(=O)CCCCCNC(=O)NC1CCCCC1	734542946	LUPPGBFWXURHBW-UHFFFAOYSA-N	312.414	1.346	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)CNC(=O)c2cccs2)cn1	732711565	CZXSVQYUPUEMAJ-UHFFFAOYSA-N	319.390	1.406	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCc1nnc(-c2ccccc2)o1	823983470	VDKJWORDKXDAKL-NSHDSACASA-N	304.350	1.013	50	20	DDGD	
COc1ccc(CN(C)C)cc1NCc1cccc(B(O)O)c1	585012969	IISYKLDEEJNGHT-UHFFFAOYSA-N	314.194	1.049	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1F	730577402	SCWCBLOYEGFNPB-VIFPVBQESA-N	316.329	1.240	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]32)cc1	830776367	HJYSVVVWLPPSTI-KFWWJZLASA-N	312.373	1.696	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C\c1cccc(OCC(=O)O)c1	490638992	QNYPRDPOFARBFQ-MLPAPPSSSA-N	302.330	1.829	50	20	DDGD	
C=CC(C)(C)CNC(=O)NNC(=O)c1cc(OC)cc(OC)c1	836593101	YEEXSEMHXIMECO-UHFFFAOYSA-N	321.377	1.860	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ncoc1C(C)C	731994574	VGMHSCNXULRMKY-UHFFFAOYSA-N	303.318	1.881	50	20	DDGD	
CCCn1nccc1C(=O)NNc1cccc(C(=O)OC)c1	831894384	NTNWFWALWGQUAC-UHFFFAOYSA-N	302.334	1.837	50	20	DDGD	
CCc1noc(C)c1CNC(=O)NNc1nc(C)cc(OC)n1	836473515	HJPAYUWCNSHHMP-UHFFFAOYSA-N	320.353	1.479	50	20	DDGD	
CCOc1cccc(NC(=O)NNC(=O)[C@H]2CCCCO2)n1	836518653	BIOXUFKLAQBAMJ-SNVBAGLBSA-N	308.338	1.202	50	20	DDGD	
CCC1(Cn2cc(C(=O)NNc3ccccc3)nn2)COC1	830756987	JCBHKVBBECPJBY-UHFFFAOYSA-N	301.350	1.462	50	20	DDGD	
CC[C@H]1CCCCN1CCNC(=O)NNC(=O)CC(F)(F)F	737066806	LBDTUHNZDRSRLK-JTQLQIEISA-N	324.347	1.534	50	20	DDGD	
C[C@]1(C(=O)NCc2ccc(O)c(O)c2)C[C@@H]1Br	907061402	VFVFFKYIDZUDJB-JQWIXIFHSA-N	300.152	1.888	50	20	DDGD	
CC(C)(C)OC(=O)C1CN(C(=O)[C@@]2(C)C[C@H]2Br)C1	908677988	MKHBXRSAALFOEH-RNCFNFMXSA-N	318.211	1.960	50	20	DDGD	
CCOc1ncc(C)cc1NC(=O)NNC(=O)CC(F)(F)F	836707545	FPLDECRRXDXTNH-UHFFFAOYSA-N	320.271	1.894	50	20	DDGD	
CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@@H]1C	834944441	QTLWXMDNFHMWQX-UHTWSYAYSA-N	315.439	1.675	50	20	DDGD	
OB(O)c1cccc(CN[C@H]2CCN(C3CCCCCC3)C2)c1	585022492	OXWGEEOJMHNYAR-KRWDZBQOSA-N	316.254	1.253	50	20	DDGD	
Cc1cccc([C@@H]2C[C@@H]2[C@H](C)NC(=O)c2ccc(B(O)O)cc2)c1	584934051	OCULVRORUJWARE-VHSSKADRSA-N	323.201	1.597	50	20	DDGD	
CC(F)(F)c1ccc(CNCc2ccc(B(O)O)cc2F)cc1	585043478	PGBZTGSLOVTSBV-UHFFFAOYSA-N	323.123	1.907	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCCCN(C)C2CC2)o1	836686508	HAEVBEXKPYOKKX-UHFFFAOYSA-N	308.382	1.406	50	20	DDGD	
CCn1c(NNC(=O)CCCC(=O)O)nc2ccccc2c1=O	833684231	UBSNTJAEMVGZQG-UHFFFAOYSA-N	318.333	1.114	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CC[C@H](C3CCC3)C2)cc1	839674583	FGUWBFFAZVVEMI-INIZCTEOSA-N	315.417	1.878	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@]2(C)CC2(Cl)Cl)nn1	836586861	SNAMEIFAFXJNEL-SNVBAGLBSA-N	304.181	1.995	50	20	DDGD	
O=C(NCC(Cl)Cl)c1cc2c(cc1[N+](=O)[O-])OCO2	837650918	LNQSKCFXAMRZFQ-UHFFFAOYSA-N	307.089	1.857	50	20	DDGD	
O=C(NNC(=O)C(F)(F)c1ccc(F)cc1)[C@@H]1CCCCO1	833250157	CTKJWCSKDOXYBA-NSHDSACASA-N	316.279	1.634	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2CCC[C@@H](C(=O)O)C2)n1	831972835	RUBWAVNYMQMOEY-NXEZZACHSA-N	308.338	1.128	50	20	DDGD	
C[C@H](O)CN(CC(=O)NNC(=O)C(C)(C)C)C1CCCCC1	744393053	BCJYYVOAKCJLGT-LBPRGKRZSA-N	313.442	1.195	50	20	DDGD	
COc1ncc(C(=O)NNC(=O)c2cc3ccccc3o2)cn1	749474405	NHIAIKLZDRGCPK-UHFFFAOYSA-N	312.285	1.306	50	20	DDGD	
Cn1ccc(C=NNC(=O)c2nn(-c3ccccc3)cc2O)c1	749854412	ONOZAPYDWIOIEH-UHFFFAOYSA-N	309.329	1.680	50	20	DDGD	
Cc1nc2ccccc2cc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843642503	KJMYDOFMOTTYQF-WCQYABFASA-N	313.357	1.729	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NC[C@@H]1CCCNC1=O	840331697	MSDMCDJQNAXHML-OEMOTLHWSA-N	301.321	1.375	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](NC2CCOCC2)C(C)C)ncn1	743415665	CMKREUPYIOQHGQ-AWEZNQCLSA-N	307.398	1.021	50	20	DDGD	
CCOc1ccc(C(=O)NN=Cc2cnnn2CC)cc1OC	841612385	IWAKCGOBTSIVFX-UHFFFAOYSA-N	317.349	1.469	50	20	DDGD	
CC(=NNC(=O)c1cccc(S(C)(=O)=O)c1)c1ccc[nH]1	915052204	JKGFNMWJIJXTKG-UHFFFAOYSA-N	305.359	1.572	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1ccc2ccccc2c1O	744817347	IKGNFHMRHSXYTC-UHFFFAOYSA-N	311.341	1.664	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl	910167849	NYXFQVPDLFPNFD-RKDXNWHRSA-N	304.749	1.590	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)Nc1cnc2c(c1)CNCC2	841322219	QMONFOQMJNJEJC-UHFFFAOYSA-N	317.393	1.460	50	20	DDGD	
O=C(CCOCC(F)(F)F)NNC(=O)CCc1ccccc1	749800621	JUDOMZKFQYGFBY-UHFFFAOYSA-N	318.295	1.736	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCc1cccn1C	743601865	AGCGFKHOINIGAW-UHFFFAOYSA-N	302.334	1.178	50	20	DDGD	
COCCOC[C@@H](C)NC(=O)NNC(=O)CCc1ccccc1	745864808	YAXSEWBDBYCGJL-CYBMUJFWSA-N	323.393	1.001	50	20	DDGD	
CCNCCCNC(=O)NNC(=O)CSc1ccc(C)cc1	841917341	FKYWMHYIADFWMH-UHFFFAOYSA-N	324.450	1.417	50	20	DDGD	
COC(=O)/C=C\c1ccc(/C=C(\C#N)S(=O)(=O)NC2CC2)o1	848642196	SHPCAOACGGKWJX-ONVRAGQBSA-N	322.342	1.412	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C[C@H](OC)[C@@H]1CCOC1	841606729	KTISMOKXALQLAS-DOMZBBRYSA-N	322.361	1.228	50	20	DDGD	
C[C@H](Cc1ccccc1)NC(=S)NNC(=O)[C@H]1CCO[C@@H]1C	843276509	CEOABEIKQCOCRO-BZPMIXESSA-N	321.446	1.538	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CCC(=O)C1	843756214	UWPIQTNQZYKCGV-UWVGGRQHSA-N	308.309	1.110	50	20	DDGD	
C[C@@H](CN)CNC(=O)NNc1ccc(Br)c(F)c1	841962556	KWPBFSGLRPKDMA-ZETCQYMHSA-N	319.178	1.809	50	20	DDGD	
Cn1c(CC(=O)NN=Cc2ccc(O)cc2O)nc2ccccc21	916313812	XELYFHLBGVXCAG-UHFFFAOYSA-N	324.340	1.677	50	20	DDGD	
CC1(C)CCC[C@H](CNC(=O)NNC(=O)c2ncccn2)C1	841586717	HSGITTICFPOVMW-NSHDSACASA-N	305.382	1.637	50	20	DDGD	
COCC1(C(=O)NNc2cc(O)nc3ncccc23)CCCC1	913988163	PSOIXTSUHNKSRW-UHFFFAOYSA-N	316.361	1.985	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CNc1ccc(C)cc1C)[C@H](C)O	842224380	LPYDJCMKOBYEMF-STQMWFEESA-N	307.394	1.270	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1ccc2c(c1)OCCCO2	745602005	BHVNYFRZUSEJDB-UHFFFAOYSA-N	319.361	1.614	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@H]2CCSc3ccccc32)cn1	741936821	OJHNQNIRYNENHI-LBPRGKRZSA-N	316.386	1.461	50	20	DDGD	
CCO[C@H](C)C(=O)NNC(=O)Cn1c(CC)nc2ccccc21	920423443	WHXUGDFYLCWEBN-LLVKDONJSA-N	318.377	1.171	50	20	DDGD	
CCO[C@H](CC)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	744862924	UXGWHAZQOZCTMM-CYBMUJFWSA-N	322.361	1.114	50	20	DDGD	
CC(C[C@H]1CCOC1)=NNC(=O)[C@@H]1COc2ccccc2O1	751517421	WNNOAPJXJMBGFY-DOMZBBRYSA-N	304.346	1.745	50	20	DDGD	
CC(C)C(=O)N1CCCN(C(=O)NNC(=O)C2CCCC2)CC1	753334450	HOPQBGLXPRJNCP-UHFFFAOYSA-N	324.425	1.108	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(-c2nccc(C)n2)cc1	756583554	AJAZVASRZUZZBT-UHFFFAOYSA-N	315.333	1.251	50	20	DDGD	
CCc1nn(C)c(CC)c1S(=O)(=O)N1CC=C(C#N)CC1	759090733	SUADQURAXPQOPB-UHFFFAOYSA-N	308.407	1.389	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2CC3(CC3)C2)cc1OC	854179862	HQCIPQCRKGFKTE-UHFFFAOYSA-N	304.346	1.655	50	20	DDGD	
CO[C@H]1CN(C(=O)[C@@H](Br)C(C)(C)C)C[C@H]1OC	754716728	DCLANJWNOJWGGM-KXUCPTDWSA-N	308.216	1.668	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC(CN)CC2)C[C@@H]1Br	857105927	VJCLKMZYGANJMI-CMPLNLGQSA-N	304.232	1.540	50	20	DDGD	
Cc1nnnn1-c1ccc(C(=O)NNc2ncccc2F)cc1	857503705	OSPAJQOFXQLQNE-UHFFFAOYSA-N	313.296	1.262	50	20	DDGD	
CC(Cn1cncn1)=NNC(=O)[C@@H](C)CN1CCC(C)CC1	853279589	USQYUGVVSPPFFG-ZDUSSCGKSA-N	306.414	1.138	50	20	DDGD	
Cc1ccc(C[C@@H](C)NC(=O)NNC(=O)c2cn[nH]c2)c(C)c1	858207115	OGLCMDUISPCFLA-GFCCVEGCSA-N	315.377	1.602	50	20	DDGD	
CCCNC(=O)NN=C(C)c1cccc(N2CCOCC2)c1	920988350	HYLVYMHPESDPGS-UHFFFAOYSA-N	304.394	1.956	50	20	DDGD	
C[C@]1(CNC(=O)c2cn3cccnc3n2)C[C@H]1Br	857400359	UUFUQKYDAIMGSZ-BXKDBHETSA-N	309.167	1.633	50	20	DDGD	
O=C(NNC(=O)c1coc(C2CCC2)n1)c1cccc(F)n1	856426711	FOIJQLOIJPEKGS-UHFFFAOYSA-N	304.281	1.551	50	20	DDGD	
C[C@H](N)CCNC(=O)NNc1ccccc1OC(F)(F)F	857108049	AWMPDCDISQYJCI-QMMMGPOBSA-N	306.288	1.949	50	20	DDGD	
CC(CN1Cc2ccccc2C1=O)=NNC(=O)c1cccn1C	754923938	SZPPIIIGGQZTFV-UHFFFAOYSA-N	310.357	1.787	50	20	DDGD	
C[C@]1(CNC(=O)N[C@H]2CCCNCC2)C[C@H]1Br	857103654	LZIHFDHNXPXECB-HOSYDEDBSA-N	304.232	1.601	50	20	DDGD	
CC(C)(C)c1nnc(C(=O)NNC(=O)c2cccc(F)n2)s1	856427208	RRLKMNJWZIYECW-UHFFFAOYSA-N	323.353	1.445	50	20	DDGD	
Cc1cc(NNC(=O)N[C@@H]2CC[C@H](C(N)=O)C2)ccc1Cl	922793034	ZRNDREVQJLHTRV-VHSXEESVSA-N	310.785	1.929	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1cnn(-c2ccccn2)c1	756708143	ZPVKDYFGFABVIM-UHFFFAOYSA-N	323.316	1.129	50	20	DDGD	
C[C@H]1CC(=NNC(=O)COc2ccc(C#N)cc2)CN1C1CC1	753955085	KDIJBKXFDBRIPV-LBPRGKRZSA-N	312.373	1.666	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(Br)cc1C	755441783	RYYFIJUUJVDIER-UHFFFAOYSA-N	316.155	1.557	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCc2ccn(C)n2)c1C	855624127	CCCVRESVORCJTI-UHFFFAOYSA-N	316.361	1.591	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C/c1cccc(NS(C)(=O)=O)c1	853006630	HNOTXWAUWSARLG-XYOKQWHBSA-N	314.388	1.357	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cc(OC)no2)cc1	753484387	JKHMBOYYNOESSX-UHFFFAOYSA-N	319.317	1.086	50	20	DDGD	
Cc1cccc(OC[C@H](C)NC(=O)NNC(=O)c2cn[nH]c2)c1	858157143	ULBKQVILFUYYQE-NSHDSACASA-N	317.349	1.130	50	20	DDGD	
O=C(NNc1ncncc1F)N[C@@H]1CCN(C2CCCCC2)C1	852586027	BHNGQIMZKRWMEL-LLVKDONJSA-N	322.388	1.649	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)[C@@]1(C)CCOC1	755645782	DPFZKQJBQFKGQH-HNNXBMFYSA-N	324.402	1.361	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H](C)C[C@H]1CCOC1	759751693	WREDAHZQZFMKGG-NWDGAFQWSA-N	321.377	1.454	50	20	DDGD	
Cc1cnc2nc(C(=O)OC[C@H](C)CBr)nn2c1	850320381	HJOSLOACGHADBE-SSDOTTSWSA-N	313.155	1.621	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(Cl)cn1	853389351	FPFWETBGHRDUOZ-OCCSQVGLSA-N	322.796	1.438	50	20	DDGD	
CC(C)CN(CCC#N)CC(=O)NNC(=O)c1ccc(F)cc1	755675086	UWBWHXXQYDBYDJ-UHFFFAOYSA-N	320.368	1.458	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCc2nn[nH]c2C1	757388064	MWOJHVWCFFLZMQ-UHFFFAOYSA-N	308.773	1.055	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Nc2cnc3c(c2)CCCC3)cn1	757996654	DMRIDPYWKIKKGI-UHFFFAOYSA-N	314.349	1.160	50	20	DDGD	
COC[C@H](CNC(=O)NC[C@]1(C)C[C@H]1Br)OC	856883031	CRPBMWHLGUHCPJ-NGZCFLSTSA-N	309.204	1.121	50	20	DDGD	
CO[C@H]1C[C@@H](NC(=O)NNC(=O)Cc2ccccc2F)C1(C)C	753424250	ANQPUTJNLZOUMF-OLZOCXBDSA-N	323.368	1.512	50	20	DDGD	
COCCOc1cc(C)ccc1NC(=O)NNC(=O)CC1CC1	756047180	XGKKYQAWFDRVQM-UHFFFAOYSA-N	321.377	1.973	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@H]2CCC(=O)N2C)c1C	855624990	YHICDQTUHHKXDP-LLVKDONJSA-N	319.361	1.236	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(Cl)cn1)[C@@H]1CN(C)CCO1	852220044	VJHBPOPHAYQESY-KOLCDFICSA-N	313.789	1.080	50	20	DDGD	
N#CSCCCNC(=O)Cc1cc(F)cc2c1OCOC2	854363248	RVBRQKJBSTWFAQ-UHFFFAOYSA-N	310.350	1.955	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(CC(=O)NC)cc1	755656483	GQEHPKLQRDJUBV-JTQLQIEISA-N	306.366	1.174	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(C)nc2O)nc1	759729177	DYNPZRRZCKUYQM-UHFFFAOYSA-N	302.290	1.034	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C[C@@H](C)Cc1cccc(OC)c1	935291617	WDFPTEWWQMZMRS-LBPRGKRZSA-N	307.394	1.956	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@@H](C)COCC1CCCCC1	932422704	LFZQYQVYMRWVMF-ZDUSSCGKSA-N	313.442	1.365	50	20	DDGD	
Cc1cccc(-c2n[nH]cc2C=NNC(=O)C(=O)NC(C)C)c1	755612234	UDBWZEUSHYVOII-UHFFFAOYSA-N	313.361	1.360	50	20	DDGD	
CCn1cc(C(=O)C(=O)NNc2cccc([N+](=O)[O-])c2)cn1	759654353	CCHQXPCVHCDPTC-UHFFFAOYSA-N	303.278	1.137	50	20	DDGD	
O=C(NN=Cc1ccc(O)c(F)c1)[C@H]1COc2ccccc2O1	755483749	IOWGSRJNLIWNBW-OAHLLOKOSA-N	316.288	1.821	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1cc(Cl)ccc1O	750938883	RUOWHXSDNMFVFP-UHFFFAOYSA-N	321.720	1.519	50	20	DDGD	
COc1ccc(Cl)cc1C(C)=NNC(=O)[C@@H]1CCC(=O)N1	863146506	WQBJGQNGEXXERR-NSHDSACASA-N	309.753	1.467	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2C)cn1	763957907	NPJFQHCYBSJYAN-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNc1cnc2ccccc2n1	935399992	CLEFXELISIYTNW-NXEZZACHSA-N	300.318	1.272	50	20	DDGD	
O=C(NN=C1CCN(CCC(F)(F)F)CC1)c1cn[nH]c1	863154677	INOPYQGSOLPHGI-UHFFFAOYSA-N	303.288	1.544	50	20	DDGD	
CC(=O)N(C)c1ccc(NC(=O)NNC(=O)C(C)(C)C)cc1	769986819	VIGDAZIYZCCKSL-UHFFFAOYSA-N	306.366	1.868	50	20	DDGD	
COC(=O)[C@@H]1C[C@H](F)CN1S(=O)(=O)CC(C)(C)CCl	867216197	ZQPKKCVAICLFTL-IUCAKERBSA-N	315.794	1.167	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC(C)(C)C(=O)Nc1ccccc1	862586804	SSZDWZYSDRJOGI-QXMHVHEDSA-N	301.346	1.964	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@@H](c1ccncc1)C1CC1	934697325	WNEVAZXVXIYWQI-MLGOLLRUSA-N	318.421	1.704	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1cc(N2CCCC2=O)ccc1F	764628497	PENOVGQDZCRKEF-UHFFFAOYSA-N	320.324	1.515	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)c1ccn(C)c1	768634038	BISIUIZQNGPFSH-UHFFFAOYSA-N	323.374	1.194	50	20	DDGD	
Cc1nc(N2CC[C@H](B(O)O)C2)c2cnn(-c3ccccc3)c2n1	864232684	CJYDRVSYWXQEBW-LBPRGKRZSA-N	323.165	1.177	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccc(C#Cc2ccccc2)cc1	768243146	FDSGUTYGXJUQDU-UHFFFAOYSA-N	322.364	1.618	50	20	DDGD	
CNC[C@H](C)CNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	1117966137	BWPDVZHLZAEMFC-GVMDUPDNSA-N	322.453	1.389	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCC1=O	763257781	BIQZUHVTQPXNTF-ONGXEEELSA-N	319.317	1.361	50	20	DDGD	
COc1cc(C(=O)NNc2ccnc(N(C)C)n2)ccc1Cl	760153633	HYECWJXPRXSEJB-UHFFFAOYSA-N	321.768	1.962	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2cc(C)nn2C)c1	873755211	WACUEOIXZVSAQL-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
CCn1ncc(C(=O)NNc2nccnc2OC)c1C1CC1	879489950	SZSPOVMOTLWMDG-UHFFFAOYSA-N	302.338	1.336	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H](CC)OCC)nc1C	778422311	ZWTKPADYBLKNHB-LLVKDONJSA-N	310.354	1.220	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)Cc2cccnc2)c1C1CC1	878732640	JGLFMXJSDFVQCM-UHFFFAOYSA-N	313.361	1.179	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCCO3)C1	776298507	ZCKSAWDYOUMPFK-WDEREUQCSA-N	304.346	1.655	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C(C)c1cn(C)cn1	872329526	RUDDQSCNJIPPEM-UHFFFAOYSA-N	302.334	1.348	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@]1(N(C)C)CCC[C@@H](C)C1	875134711	FQBJRZMEUULIFL-BXUZGUMPSA-N	300.403	1.409	50	20	DDGD	
CC(C)S(=O)(=O)CC(=O)OC[C@@H](C)CBr	770346043	JNFJGFMWCCPVLK-QMMMGPOBSA-N	301.202	1.384	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)N[C@@H]1CC12CCC2	873255891	KDTOYSXZIGYKMU-CHWSQXEVSA-N	317.345	1.099	50	20	DDGD	
CCn1nc(C)c(NC(=O)NNC(=O)C2CCOCC2)c1C	879091486	NQAMPIAVAIBGKM-UHFFFAOYSA-N	309.370	1.099	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2ccc(C(F)(F)F)cn2)c1O	775250947	BTYYZUMMRZUAGX-UHFFFAOYSA-N	301.228	1.594	50	20	DDGD	
CCc1c(C(=O)NNC(=S)NC(C)C)cnn1CC(C)C	1116378285	GUXAGEDGTZREQH-UHFFFAOYSA-N	311.455	1.619	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CCCn2cncn2)c1	873775720	PXQYFLHQDXNNKW-UHFFFAOYSA-N	318.406	1.385	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)/C=C1/CC[C@H](C)C1	772186947	WYQPBWNXKXUWGA-UONHYXGFSA-N	310.394	1.858	50	20	DDGD	
CC(C)(NS(=O)(=O)CCCCl)C(=O)NCC1CCCC1	882004976	XWAFBPHEDJCSRH-UHFFFAOYSA-N	324.874	1.620	50	20	DDGD	
CCOc1cc(Cl)ccc1C(=O)NNc1nnc(C)c(O)n1	779160083	COVHCBQUGDYIOA-UHFFFAOYSA-N	323.740	1.695	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(C)c(F)c1	779350322	HNMMSVOVADBJTB-JTQLQIEISA-N	313.329	1.338	50	20	DDGD	
CC[C@@H](CO)C(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	772996205	GVAIIKUSHUSJRS-UWVGGRQHSA-N	314.769	1.273	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)[C@H](C)Oc2cccc(Cl)c2)[nH]1	772951732	DYWAVBCKZRACPQ-QMMMGPOBSA-N	322.752	1.600	50	20	DDGD	
CN(C)C(=O)[C@H]1CCC[C@@H](NS(=O)(=O)CCCCl)C1	881899682	CLBBQVGDIMVAKK-WDEREUQCSA-N	310.847	1.182	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2c(F)cc(F)cc2F)CC1	885150720	HSQZNCCYBHDFAH-UHFFFAOYSA-N	302.252	1.890	50	20	DDGD	
O=C(CCc1cc(Cl)cs1)NNC(=O)C1CCOCC1	883063918	HXJDERQQQQESEI-UHFFFAOYSA-N	316.810	1.908	50	20	DDGD	
O=C(CN1CCC[C@H](CF)C1)NNC(=O)c1ccc(F)cc1	880232769	FKSGHMOWRYNFLZ-LLVKDONJSA-N	311.332	1.268	50	20	DDGD	
CC(C)(CNC(=O)/C(C#N)=C\c1ccc(O)cc1)S(C)(=O)=O	787410012	UXCTTWBCDOWHIE-WQLSENKSSA-N	322.386	1.239	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccnc(Cl)c1Cl	887153518	YPWUJVBARGJQTH-UHFFFAOYSA-N	300.145	1.953	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1	782582470	HZBRLBFFGSVRQY-UHFFFAOYSA-N	310.329	1.336	50	20	DDGD	
C#CCSCC(=O)NNC(=S)Nc1ccc(C)cc1C	899938035	ZSZGSFPHTHEIIP-UHFFFAOYSA-N	307.444	1.987	50	20	DDGD	
C#CCOc1cccc(NC(=O)C(=O)NNc2ccccn2)c1	784795623	CHADHMPHMKURQB-UHFFFAOYSA-N	310.313	1.175	50	20	DDGD	
CC(=O)N[C@@H](CCC(C)C)C(=O)NNC(=S)NC(C)(C)C	899999137	ANVHBQOASPQAED-NSHDSACASA-N	316.471	1.221	50	20	DDGD	
CO[C@@H](C)CCC(=O)NNC(=O)Cc1c[nH]c2ccccc12	782550061	XZSDEYZKVZCUOT-NSHDSACASA-N	303.362	1.673	50	20	DDGD	
O=C(CSc1ccc2c(c1)OCCO2)NN=c1cc[nH]cc1	780760912	CYAAJVDQUWWZEE-UHFFFAOYSA-N	317.370	1.510	50	20	DDGD	
CO[C@H](CC(=O)NNC(=S)NC(C)(C)C)C(F)(F)F	899998094	FICHZCBQQWUUFK-ZCFIWIBFSA-N	301.334	1.248	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1CCCN1C1CC1	787440745	ODCHPFCBFRRYCT-ZDUSSCGKSA-N	323.418	1.160	50	20	DDGD	
CC(=NNC(=O)Cn1c(C)nc2ccccc21)c1cc(C)nn1C	788964162	LFPMYLYSWOGHAF-UHFFFAOYSA-N	324.388	1.927	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC(CCCO)CC1	782542864	TWYREUKWFOLAJJ-CYBMUJFWSA-N	313.442	1.053	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccnc(C3CC3)c2)c1	783043424	BLHDCLBCBKOXDF-UHFFFAOYSA-N	306.325	1.905	50	20	DDGD	
COC(=O)c1cc(OC(=O)[C@H]2CO[C@H](C)C2)ccc1[N+](=O)[O-]	784111006	FGLWBSGUGCZIBG-RKDXNWHRSA-N	309.274	1.712	50	20	DDGD	
CCn1ncc(NC(=O)NNC(=O)C2CC2)c1C(F)(F)F	799238149	YKYDUSDYXJRUQX-UHFFFAOYSA-N	305.260	1.485	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41	793956381	YCDBUBSFTNCMMQ-NYNCCYJMSA-N	321.384	1.566	50	20	DDGD	
Cn1c(=O)oc2cc(/C=C(/C#N)C(=O)N=c3cc[nH]cc3)ccc21	798231164	KGFYHWHNDSZXAP-WQLSENKSSA-N	320.308	1.494	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCc2ccc(F)cc2F)n1	792869405	CDIJFFFRMBJNNT-UHFFFAOYSA-N	320.299	1.812	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(C)n([C@H](C)C2CC2)n1	798306466	IQYONVCBGCAWLB-SNVBAGLBSA-N	307.423	1.457	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNc1ccnc(N(C)C)n1	792341634	DVCWGQXYOOVACX-UHFFFAOYSA-N	316.365	1.402	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCC(=O)c2ccccn2)n1	794080531	OAZIUPDPDOLCTA-UHFFFAOYSA-N	312.329	1.209	50	20	DDGD	
Cn1cc(C(=O)CCC(=O)NNc2nc3ccccc3[nH]2)cn1	795218572	YNQALRUUFXXRLK-UHFFFAOYSA-N	312.333	1.403	50	20	DDGD	
COc1c(C(=O)NNc2ccnc(F)c2)cccc1[N+](=O)[O-]	793798956	IHWLNQFNDQDSIF-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
COc1cc(NNC(=O)CCCS(C)(=O)=O)ccc1Cl	790188858	LMKYLCZJSNJGCM-UHFFFAOYSA-N	320.798	1.617	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CO[C@H]2CCC[C@H](C)C2)n1	794081295	BHXXGOGCMTTWFL-AAEUAGOBSA-N	305.378	1.746	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ccnc(N(C)C)n1)c1cccnc1	798110602	JFKKGSJIUHKGHZ-CQSZACIVSA-N	314.393	1.821	50	20	DDGD	
Cc1ccn(-c2cccc(C(=O)NNC(=O)c3cc(C)[nH]n3)c2)n1	1319802785	MFFPJDGNTVWJPD-UHFFFAOYSA-N	324.344	1.287	50	20	DDGD	
Cc1noc(C2CC2)c1NC(=O)C(=O)NNc1ncccc1F	1323763579	ZYXCSGYQVMFRJQ-UHFFFAOYSA-N	319.296	1.476	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@]2(C)CCOC2)cc1	1322806060	KEBYJRMONISNKA-HNNXBMFYSA-N	307.350	1.066	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H]2CCN3CCC[C@H]3C2)c1	1329978844	LJJZDLNHBJWKOA-RYUDHWBXSA-N	322.434	1.627	50	20	DDGD	
C[C@]1(C(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)C[C@H]1Br	1332665206	GNUKBIKVNRJPKK-SREGZZRCSA-N	317.183	1.117	50	20	DDGD	
CCOCCN(C)c1nnnn1C[C@]1(C)C[C@H]1Br	1336189556	XKICEUNCTCAZLC-KOLCDFICSA-N	318.219	1.319	50	20	DDGD	
CC1CCN(CCC(=O)NN=C2CCCc3nn(C)cc32)CC1	1256376609	JLPBVWHBLCYPFP-UHFFFAOYSA-N	317.437	1.699	50	20	DDGD	
O=C(NN=C1CC[C@@H](C(=O)O)c2ccccc21)C1CCOCC1	1331350256	JHCCGJQZFUOWDH-CQSZACIVSA-N	316.357	1.896	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ncc(C)cc2OC)cc1	1255765700	ZKWGCUBZXRNOSQ-UHFFFAOYSA-N	315.329	1.482	50	20	DDGD	
CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C1CCC(Cl)CC1	1349288947	ZKBQZFJANDJJCM-MCIGGMRASA-N	322.858	1.324	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)C2CCNCC2)cc1C	1350321538	DTZNHKFEJLMWGS-UHFFFAOYSA-N	318.421	1.176	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(F)c(C(=O)O)c1)[C@@H]1CCOC1	1609767560	HNMMCXFGKYENOB-DTWKUNHWSA-N	311.313	1.575	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccnc(-n3cccc3)c2)nc1	1602382805	DDONJMBHTZUOIC-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccnc(F)c2F)c(F)c1	1602383243	ZMQRVPWBWRSNPC-UHFFFAOYSA-N	311.219	1.954	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2ccc(C(=O)O)cn2)c(F)c1	1601091941	HOQFOTUKNUDVRY-UHFFFAOYSA-N	300.249	1.547	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1cc(C(=O)O)on1	1606526627	MLMINQRQRQLXPA-UHFFFAOYSA-N	323.236	1.055	50	20	DDGD	
CO[C@@H](C(=O)N(c1nc(CC(=O)O)cs1)N(C)C)C1CC1	1606644341	KTNNMDMEPNRZHI-LLVKDONJSA-N	313.379	1.005	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CC23CCOCC3)cc1C(=O)O	1607809784	DFMBVPGDRFULLG-ZDUSSCGKSA-N	304.346	1.953	50	20	DDGD	
O=C(NN[C@H](C(=O)O)c1ccsc1)c1ccc([N+](=O)[O-])cc1	1601557850	XAKBBIMXPXHSGQ-NSHDSACASA-N	321.314	1.717	50	20	DDGD	
COC(=O)NNC(=O)c1cc(Br)cc(C(=O)O)c1	1610190169	IZBKZWLJBONHDJ-UHFFFAOYSA-N	317.095	1.148	50	20	DDGD	
Cc1nn(C)c(Cl)c1C(=O)NNc1ccc(C(=O)O)cn1	1610568315	NRXJUOGSGOKROY-UHFFFAOYSA-N	309.713	1.232	50	20	DDGD	
NC[C@H]1CC[C@H](NC(=O)NNc2cccc(C(=O)O)c2F)C1	1610645409	XTFFMTYXFWMWBN-IUCAKERBSA-N	310.329	1.277	50	20	DDGD	
COC[C@@H](NC(=O)CCCC[C@H]1CCSS1)C(=O)O	1610246716	UFTDAJAYLDNIDY-VHSXEESVSA-N	307.437	1.916	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C=NNC(=O)[C@@H]1CCCCO1	1552453733	MBURDNWNAFRGQO-HZSPNIEDSA-N	320.393	1.559	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCCCO1	1847313546	BHRZKMYLYDYQBU-NNYUYHANSA-N	318.776	1.292	50	20	DDGD	
CC(C)NCCC(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1842993936	GRLXJWLZEUXIPN-LBPRGKRZSA-N	319.808	1.112	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C/c1cccc(F)c1-c1nn[nH]n1	1590649198	OQMNBFCTFMSFMX-JXMROGBWSA-N	321.337	1.695	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(-c2nn[nH]n2)c1)c1ccccn1	1591768193	FIQOHFCFPJGUBV-JTQLQIEISA-N	324.348	1.649	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc(C(=O)O)c(C)c1	1596263064	KUVDENFTZAYCDG-UHFFFAOYSA-N	305.378	1.875	50	20	DDGD	
C[C@H](Oc1cccnc1)C(=O)NNc1cccc(C(=O)O)c1F	1593655632	IFCOIMKDVVWKCI-VIFPVBQESA-N	319.292	1.830	50	20	DDGD	
COCc1cc(C(=O)NNc2ccc(C(=O)O)cc2F)no1	1599278812	JREOKQXENWWNRU-UHFFFAOYSA-N	309.253	1.415	50	20	DDGD	
O=C(Cc1ccccn1)NN=Cc1cccn2c(C(=O)O)cnc12	1776043423	NMESBYMKHIYGGA-UHFFFAOYSA-N	323.312	1.120	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=Cc2sccc2C(=O)O)c1	1776096002	GFIYUIPOEQTFII-UHFFFAOYSA-N	318.310	1.908	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccnc2)ccc1[N+](=O)[O-]	15508366	RPSIPSRKAITGMB-UHFFFAOYSA-N	300.274	1.373	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCOC(C)(C)C2)s1	162538565	WLWVSBQCXUUIFK-JTQLQIEISA-N	311.407	1.958	50	20	DDGD	
COC(=O)NNC(=O)[C@@H]1COc2ccc(Br)cc21	158706106	VVIZONWYCDFPNY-MRVPVSSYSA-N	315.123	1.312	50	20	DDGD	
CN(C)c1cccc(NC(=O)NNC(=O)c2ccc(C#N)cc2)n1	152822854	NLEUGKXRSXKSJK-UHFFFAOYSA-N	324.344	1.486	50	20	DDGD	
Cn1c(=O)oc2c(C(=O)NNc3ccc(C#N)cc3)cccc21	152654709	OMRHENHBCXLZBQ-UHFFFAOYSA-N	308.297	1.760	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)[C@H]1CCCCO1	153200237	AYCWENZIYHHMRH-LLVKDONJSA-N	313.448	1.355	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@H]1C(=O)NNC(=O)Cc1ccccc1F	154290618	DMYKXDSKCFDXDG-ZWNOBZJWSA-N	306.337	1.521	50	20	DDGD	
C[C@H]1C[C@@H](CC(=O)NNc2ccc(C(N)=O)nn2)CC(C)(C)C1	154418022	CLTAYJFDOYCVLN-QWRGUYRKSA-N	319.409	1.871	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cccc(Br)n1	154795935	ZAIYWPXFAJQBKK-UHFFFAOYSA-N	323.150	1.257	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCN(C[C@@H](CBr)C2CC2)C1	859295403	UEGCIRGHNJJLLW-GHMZBOCLSA-N	310.257	1.526	50	20	DDGD	
CN(C)C(=O)[C@@H]1CCN(C[C@@H](CBr)C2CC2)C1	859328655	RWBKITWNIIARAH-VXGBXAGGSA-N	303.244	1.818	50	20	DDGD	
N#C[C@@H]1CN(S(=O)(=O)CCl)CCN1Cc1ccccc1	830523984	CFDOANNSFYCGSG-CYBMUJFWSA-N	313.810	1.222	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cc(F)cc(F)c2)c1O	54163809	JWTYXJVIQGWYTK-UHFFFAOYSA-N	322.267	1.754	50	20	DDGD	
CCOc1ccc(CC(=O)NNC(=S)NC(C)(C)C)cc1	28716395	CRSQMUSAYHIACJ-UHFFFAOYSA-N	309.435	1.922	50	20	DDGD	
CN(C)N(C(=O)CCc1ccccc1)[C@@H]1CCS(=O)(=O)C1	58585703	YRGYRCYVQXNEON-CQSZACIVSA-N	310.419	1.112	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2ccc3ccccc3n2)no1	172321034	SSPMBHJYCTVRRF-UHFFFAOYSA-N	310.313	1.535	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNC(=O)Cn2ccc3ccccc32)c1	104629657	GFTINKYKMYHEJE-UHFFFAOYSA-N	324.340	1.633	50	20	DDGD	
C#CCOc1ccc(C(=O)NNc2nccnc2Cl)cc1	173612898	LJKVEQCGZOPNNF-UHFFFAOYSA-N	302.721	1.899	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)N1CCSCC1	103516688	CPHCJXGUHPYEGF-UHFFFAOYSA-N	307.419	1.799	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(F)c1	119109137	ALCGEKIJCLXHGW-UHFFFAOYSA-N	318.264	1.816	50	20	DDGD	
C[C@@H](NC(=O)c1ccoc1)C(=O)NNc1ccc(F)cc1F	104130972	KALUQZNEBFJEOX-MRVPVSSYSA-N	309.272	1.819	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H]2CCOc3ccccc32)nn1	108888335	MMVADSDGROXXIR-LBPRGKRZSA-N	313.361	1.977	50	20	DDGD	
C[C@@H]1CCCC[C@H]1OCC(=O)NNC(=O)c1cccc(C#N)c1	112814823	UQESXSVDNXEFEH-IUODEOHRSA-N	315.373	1.915	50	20	DDGD	
CC[C@@H](Sc1ccccc1)C(=O)NNC(=O)[C@@H]1CCCO1	110630180	CDFCYOWLHVSLCD-QWHCGFSZSA-N	308.403	1.884	50	20	DDGD	
CC[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc[nH]1	175132499	IVQOQJHQZRKCJJ-GFCCVEGCSA-N	305.309	1.772	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C2(c3cccc(Cl)c3)CC2)cn1	117681889	CVFUYRMYYPICCD-UHFFFAOYSA-N	318.764	1.566	50	20	DDGD	
CO[C@H](C)CC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	112823599	DCZQGWHHAMSJFR-LLVKDONJSA-N	302.334	1.058	50	20	DDGD	
O=C(NCCOc1ccc(Cl)cn1)NNc1cccnn1	178115775	WSFOPBQTYHDIDD-UHFFFAOYSA-N	308.729	1.230	50	20	DDGD	
CCCCc1ccc(CC(=O)NNC(=O)c2cnn(C)c2)cc1	117679598	NKVJDGRVYWWOLC-UHFFFAOYSA-N	314.389	1.766	50	20	DDGD	
Cc1nn(C)c2ncc(C(=O)NNc3ccc(Cl)nn3)cc12	118499385	GMPBKQUINBPBOY-UHFFFAOYSA-N	317.740	1.477	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NCc1ccccc1	25216460	JDJYJSWLGWYJPB-UHFFFAOYSA-N	323.356	1.787	50	20	DDGD	
CCN(CC(=O)NNC(=O)NCc1ccco1)c1ccccc1	65898069	CFLWROVVLYLMBO-UHFFFAOYSA-N	316.361	1.637	50	20	DDGD	
C#CCCCNC(=O)NNC(=O)CCc1ccc(OC)cc1	174119493	ZGMFJLGWIVMGQT-UHFFFAOYSA-N	303.362	1.372	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(C(F)(F)F)n1)n1cncn1	172411443	AGMDUZWOOVTZMJ-SSDOTTSWSA-N	300.244	1.396	50	20	DDGD	
O=C(NNC(=O)c1cc(-n2cccn2)ccn1)c1ccccc1	127804867	DLWUXNNIYJIHCA-UHFFFAOYSA-N	307.313	1.342	50	20	DDGD	
N#CC(C#N)=CNCc1ccc(N2CCCS2(=O)=O)c(F)c1	186849918	CWFJOZILXIESKV-UHFFFAOYSA-N	320.349	1.386	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(COC(C)(C)C)on1	184762356	YSQUUEBYHJXXNX-UHFFFAOYSA-N	312.395	1.285	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1ccc2[nH]cnc2c1	78269318	VBORXAURZVXGHQ-UHFFFAOYSA-N	309.329	1.436	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NNC(=O)c1cc2ccccc2o1	127788212	NMIJHWNSNYLDAD-SNVBAGLBSA-N	318.333	1.031	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cnn(-c2ccccc2)c1C	183297957	TYOXBPHXTLFASA-UHFFFAOYSA-N	317.349	1.370	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCC[C@H](C(N)=O)C1	181752154	BBPWWZHROAASLJ-OEMOTLHWSA-N	301.321	1.457	50	20	DDGD	
CCCc1cc(C(=O)NNc2nc3ccccc3c(=O)[nH]2)[nH]n1	137201560	GTPIDOYBRBCWMD-UHFFFAOYSA-N	312.333	1.356	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccc(F)cc2)c(O)c1	78939600	WPTSVOIGBDFCSY-UHFFFAOYSA-N	302.305	1.843	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1ccc2c(c1)C(=O)CCC2	181405198	MOIIAQWNYHZQBN-UHFFFAOYSA-N	324.340	1.682	50	20	DDGD	
CCn1cc(NC(=O)C(=O)NNc2ccc(F)cc2F)cn1	131324423	PRXLWEGIDZCFFG-UHFFFAOYSA-N	309.276	1.263	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@@H]1COc2ccccc2C1	47094236	HAXSNFHQRIJHDU-AWEZNQCLSA-N	311.341	1.634	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)C(=O)Nc2nc(C)cs2)c1	190476311	PREGKBAGJJHWGO-UHFFFAOYSA-N	308.338	1.981	50	20	DDGD	
CN(C)c1ccc(C(=O)NNc2nc3ccccn3n2)c(F)c1	191918089	UEVNSTGMRBGUTK-UHFFFAOYSA-N	314.324	1.691	50	20	DDGD	
COc1ccc(NNC(=O)Nc2cnn(CC3CC3)c2)nc1	190223620	BTICBEZSEZYBJQ-UHFFFAOYSA-N	302.338	1.845	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)on1	194935452	SIMAJJCESWUNCG-UHFFFAOYSA-N	308.725	1.911	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CSCc1cccs1	1346069839	VPGJDJXKCJYQBH-GXSJLCMTSA-N	314.432	1.554	50	20	DDGD	
Cc1cc(C)nc(NC(=O)C(=O)NNc2ccc(C#N)cc2)c1	193883052	WVUMZMBURMHCHC-UHFFFAOYSA-N	309.329	1.652	50	20	DDGD	
C[C@@H](Nc1ccc(C(=O)NN)cc1[N+](=O)[O-])c1ccccn1	237369162	LAHLLBQZVPXKCQ-SECBINFHSA-N	301.306	1.766	50	20	DDGD	
CO[C@H](C)CCNC(=O)NNC(=O)COc1cc(C)cc(C)c1	263696267	CUQYTYVHIQPDMU-CYBMUJFWSA-N	323.393	1.438	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCC1CCSCC1	265041838	IIIONFRUPVQHSU-UHFFFAOYSA-N	323.418	1.782	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2C[C@@](C)(OC)C2(C)C)n1	266782262	XYXXMAMAHMDNHO-YMTOWFKASA-N	309.370	1.315	50	20	DDGD	
COc1cc(CC(=O)NNC(=S)N[C@H](C)C2CC2)ccc1C	267571372	DGISUHGXCOXIBA-LLVKDONJSA-N	321.446	1.840	50	20	DDGD	
O=C(NNc1cccnn1)N[C@@H]1COc2cc(F)cc(F)c21	368272651	NWLVUDNCIYTZIH-SECBINFHSA-N	307.260	1.515	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@H](NC(=O)NNc2nc3ccccn3n2)C1(C)C	276898419	NQXQLMYADKAODN-ADEWGFFLSA-N	318.381	1.415	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1cccc(OCC(F)F)n1	274188372	JPGJTLKCNFVOMW-UHFFFAOYSA-N	314.292	1.678	50	20	DDGD	
CC(=O)Nc1ccc(OC[C@@H](O)CN2CC=C(C#N)CC2)cc1	272677206	RGOMWPOAYVVXEG-INIZCTEOSA-N	315.373	1.540	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)C(C)(C)C#N	270686872	WKKXCEKLMFHNNH-UHFFFAOYSA-N	307.375	1.484	50	20	DDGD	
Cc1nc(CCNC(=O)[C@@H](Br)C(C)(C)C)n[nH]1	274336707	KAKUCBVMESMWPZ-SECBINFHSA-N	303.204	1.581	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCCCCNC(C)=O)c1	272989122	MVMCBOFIMIYAOY-UHFFFAOYSA-N	321.377	1.613	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccn(-c2ccc(F)cc2F)n1	274364565	QHPSSIHGTJMROJ-UHFFFAOYSA-N	320.299	1.712	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnc(-c2ccccc2)nc1C	272710544	XOKVTRDNLQXZFR-UHFFFAOYSA-N	313.361	1.758	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NNc2cccc(F)n2)C1	286700096	YIZDMHOUWGUZEZ-NEPJUHHUSA-N	322.384	1.949	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)C(C2CCC2)C2CCC2)nn1	288104156	XHPXWYOEHKYRHC-UHFFFAOYSA-N	303.366	1.235	50	20	DDGD	
Cc1coc(C)c1C(=O)NNC(=O)COCc1ccccc1	283317924	BCINQHIOLSOWJH-UHFFFAOYSA-N	302.330	1.874	50	20	DDGD	
CCOC(=O)CC(C)(C)CC(=O)NNc1cccc(OC)n1	288629428	QTQZNIZRDRXXSQ-UHFFFAOYSA-N	309.366	1.903	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2conc2C2CC2)c1	280794049	PHSFRUMIGYPWLN-UHFFFAOYSA-N	315.329	1.700	50	20	DDGD	
O=C(CNC(=O)Cc1cccc(F)c1)NCC(Cl)Cl	294564447	GAPARXKDXKCSSW-UHFFFAOYSA-N	307.152	1.404	50	20	DDGD	
CC1(C)C[C@H]1NC(=O)NNC(=O)COc1ccc(C#N)cc1	299049096	HPLCVGVKCBQVLV-GFCCVEGCSA-N	302.334	1.066	50	20	DDGD	
O=C(Cc1cccc(N2CCCC2=O)c1)NNc1ccncn1	295365172	DDAQALASHOUTRS-UHFFFAOYSA-N	311.345	1.289	50	20	DDGD	
COC(=O)c1ccnc(NC(=O)NNc2ncccc2F)c1	806407579	URIVNXPPXLUNEJ-UHFFFAOYSA-N	305.269	1.551	50	20	DDGD	
O=C(COCC(F)(F)F)NNc1ccc2c(=O)[nH]ccc2c1	803432605	MZUNTCFWFOARKB-UHFFFAOYSA-N	315.251	1.550	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1ccc2c(=O)[nH]ccc2c1)C(C)C	803432040	KECXGMZNWKUWOD-AWEZNQCLSA-N	316.361	1.132	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)[C@H]1CCCCO1)c1ccccc1F	295283778	CWWXLIQAMOPMHG-CJNGLKHVSA-N	324.352	1.404	50	20	DDGD	
CCOc1ccc(CC(=O)NNC(=O)[C@H]2CCCCO2)cc1	295628556	SEDRGKANNCEKOH-CQSZACIVSA-N	306.362	1.344	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)c1ccccc1F)CN1CCCC1	299036916	ZMKGZAROGLEYTP-GFCCVEGCSA-N	322.384	1.502	50	20	DDGD	
CN(Cc1nncn1C)C(=O)[C@H](Br)C(C)(C)C	291612578	BBOCKRZTOYYNHH-VIFPVBQESA-N	303.204	1.583	50	20	DDGD	
Cc1onc(CC(=O)NNc2ccc3c(=O)[nH]ccc3c2)c1C#N	803436616	VHHVVKZCQACDDF-UHFFFAOYSA-N	323.312	1.382	50	20	DDGD	
Cc1ccc(C)c(S(=O)(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	295206680	OKHOTQVAQBRAAZ-RYUDHWBXSA-N	312.391	1.180	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@@H]1CCN(c2ccccc2F)C1	292819412	AUCUYBQEIVEMGA-GFCCVEGCSA-N	320.368	1.535	50	20	DDGD	
CC[C@@H]1[C@H](C)CCN1CC(=O)NNC(=O)Cc1ccccc1C	299401500	SFVWLOIBAWWJBP-GDBMZVCRSA-N	317.433	1.805	50	20	DDGD	
COCCCn1nccc1C=NNC(=O)c1ccccc1C	802709874	SKCBOBSSZHSFLX-UHFFFAOYSA-N	300.362	1.992	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(C(F)(F)F)ccn1)n1cncn1	295413078	SMQKJGLOQJFEES-ZETCQYMHSA-N	300.244	1.396	50	20	DDGD	
CCCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1ccccc1F	298795393	VJNVTNDLCDJREJ-CYBMUJFWSA-N	321.352	1.378	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H](O)c2ccc(Cl)cc2)n1	813407476	BOVWPVYTLMDQCT-LLVKDONJSA-N	308.725	1.315	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)C3(F)CCCCC3)nc21	810400079	BYBGDQNQCCKWEZ-UHFFFAOYSA-N	308.317	1.184	50	20	DDGD	
CN1CCN(C(=O)NN=C2COc3cc(F)cc(F)c32)CC1	814912425	SJEXYQGIDQZBAY-UHFFFAOYSA-N	310.304	1.018	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@](C)(OC)C2CC2)cc1	813576467	SBCAFPRWJCYFKB-OAHLLOKOSA-N	307.350	1.663	50	20	DDGD	
CN1C(=O)CCc2cc(C=NNC(=O)Cc3cc[nH]n3)ccc21	814957769	OPJSBYUSKAJAIP-UHFFFAOYSA-N	311.345	1.012	50	20	DDGD	
C[C@H]1CN(c2ccc(C(=O)NN(C)C3CC3)cn2)C[C@@H](C)O1	819645199	BCGDYICIUSLNSK-TXEJJXNPSA-N	304.394	1.434	50	20	DDGD	
CC(=NNC(=O)c1cccc(N(C)C)c1)c1csc(N)n1	812397963	LEKSBRJGYSAHJN-UHFFFAOYSA-N	303.391	1.945	50	20	DDGD	
O=C(O)C[C@H]1CCCN(C(=O)NNC(=O)c2ccccc2)C1	819364882	FSTHYMVVDCFJNQ-LLVKDONJSA-N	305.334	1.228	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2cccc(N(C)C)c2)on1	814732981	ICLMTJSJUVSELC-UHFFFAOYSA-N	316.317	1.291	50	20	DDGD	
Cc1ccc(C2(C(=O)NNc3nccn(C)c3=O)CCC2)cc1	819885885	LTTSSMQNSFGPSW-UHFFFAOYSA-N	312.373	1.654	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1CCc2c(O)cccc21	812441727	XPDKZAJLHBTVSJ-GFCCVEGCSA-N	317.389	1.127	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)c1c[nH]c2ccccc12	812452822	LZGAFUMGOUXWKZ-WDEREUQCSA-N	303.362	1.848	50	20	DDGD	
O=C(NNC(=O)[C@@H](F)C(F)(F)F)Nc1ccc2c(c1)OCO2	816597607	YNRWMCLGNRXPHO-MRVPVSSYSA-N	323.202	1.468	50	20	DDGD	
O=C(O)CCNC(=O)NNC(=O)Cc1ccc2ccccc2c1	819492408	HRTUVLLLVHEEEW-UHFFFAOYSA-N	315.329	1.187	50	20	DDGD	
COc1cc(C(=O)NNc2ncncc2F)cc([N+](=O)[O-])c1C	817067568	NJVIMVXQOJZCKF-UHFFFAOYSA-N	321.268	1.598	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CC(C)(C)C)c(-c2ccncc2)n1	728607037	VTQWIJDQMVWOFV-UHFFFAOYSA-N	315.377	1.679	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)c2ccnnc2)c1C	817693537	NBPAVDIQFLERLS-UHFFFAOYSA-N	314.345	1.324	50	20	DDGD	
COC(=O)NCCC(=O)NNc1nc2c(C)cccc2s1	828362717	PCDISWUGYPWDRW-UHFFFAOYSA-N	308.363	1.794	50	20	DDGD	
N#Cc1cccc(C(=O)NN=Cc2ccc([N+](=O)[O-])c(O)c2)c1	728780895	FRJUFWZXBAFIBE-UHFFFAOYSA-N	310.269	1.936	50	20	DDGD	
COC(=O)c1cc(F)cc(C(=O)NNC(=O)CC(F)(F)F)c1	823369380	YFYDIEMVYOARLF-UHFFFAOYSA-N	322.214	1.326	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cncc2ccccc12	728850317	MEYXANRATIXSOZ-UHFFFAOYSA-N	306.325	1.634	50	20	DDGD	
CCn1c(C)nnc1SCC(=O)NNC(=O)c1ccccc1	726432836	QXNCOWJJVPVTPI-UHFFFAOYSA-N	319.390	1.160	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc3ccccc3c2)CO1	825674303	DFCFRDXAVLRVAC-NHYWBVRUSA-N	313.357	1.961	50	20	DDGD	
Cc1nc(CCC(=O)NN(C)[C@@H](C)CO)oc1-c1ccccc1	823959542	KWJNTCVBPYBFCR-LBPRGKRZSA-N	317.389	1.926	50	20	DDGD	
CCCN(NC(=O)c1cccc(C(N)=O)n1)C(=O)OC(C)(C)C	495764568	QNQYXEPLWKNBCV-UHFFFAOYSA-N	322.365	1.472	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc(C)cc(C)c1	726075602	BLVJQTUUCPDEQS-UHFFFAOYSA-N	309.435	1.791	50	20	DDGD	
O=C(NNc1ncccc1Cl)c1c[nH]c(-c2nn[nH]n2)c1	826450069	VZMTYJBBHRYJDJ-UHFFFAOYSA-N	304.701	1.000	50	20	DDGD	
Cc1c(C(=O)NNC(=O)N(C)C)ccc(Br)c1F	824626994	GETHFYRAZRRSAS-UHFFFAOYSA-N	318.146	1.813	50	20	DDGD	
CC(C)(C)OC(=O)C(C)(C)CCNC(=O)NNc1ncccn1	824770742	DYXSPXYUHDBSQT-UHFFFAOYSA-N	323.397	1.861	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1nc2ccccc2n1C	495813611	IPGOMJKZCDKMGT-UHFFFAOYSA-N	305.338	1.153	50	20	DDGD	
Cc1cccnc1CCCNC(=O)/C(C#N)=C\c1cnn(C)c1	490976034	QHNRFZLHWGVHKH-DHDCSXOGSA-N	309.373	1.780	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NN(C)[C@@H](C)CO)cc1	823977101	OHCJHQQQDIQXSK-CJAAZZPWSA-N	303.362	1.336	50	20	DDGD	
CN(C/C=C\C(=O)NNc1ncncc1Cl)CC(F)(F)F	492837432	XVIHXKDJSOVKIY-IHWYPQMZSA-N	323.706	1.623	50	20	DDGD	
CO[C@]1(C)C[C@H](N(C)C(=O)/C(C#N)=C\c2cnn(C)c2)C1(C)C	490974376	NBSRKEPCJJASRA-ATWYWQRXSA-N	316.405	1.989	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc2[nH]c3c(c2c1)CN(C)CC3	823921958	FZOWYIVITYUKCC-NSHDSACASA-N	316.405	1.113	50	20	DDGD	
CC(C)OCc1ccccc1CNCc1cccc(B(O)O)c1	585020014	VAWDSERWNJCUIF-UHFFFAOYSA-N	313.206	1.581	50	20	DDGD	
CC1(C)Cc2cc(C=NNC(=O)C(=O)N3CCCC3)ccc2O1	729144835	ARCVWGZUGDMTRY-UHFFFAOYSA-N	315.373	1.473	50	20	DDGD	
O=C(NN=C(Cc1ccccc1)C1CC1)[C@H]1CCS(=O)(=O)C1	729144316	XYBYOADSELFWII-AWEZNQCLSA-N	320.414	1.546	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2	727369987	GPLINPISTCNUEY-UHFFFAOYSA-N	323.305	1.173	50	20	DDGD	
CCc1nncn1CCNC(=O)/C(C#N)=C\c1ccc(F)cc1	490871698	AMNFDMXMKJSPCV-LCYFTJDESA-N	313.336	1.703	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1C[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1	827266738	DNFDQQLORXGWFV-CTTWBBHYSA-N	319.405	1.296	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)c1cc2cc(F)ccc2o1	829634640	JONVRVPUGQKVFH-UHFFFAOYSA-N	300.311	1.537	50	20	DDGD	
COCCN(Cc1ccco1)C(=O)/C(C#N)=C\c1cnn(C)c1	491083687	MJZUSESWHHKVEY-ZSOIEALJSA-N	314.345	1.595	50	20	DDGD	
CCc1ccc(S(=O)(=O)NN(C)C(=O)OC)cc1[N+](=O)[O-]	496516163	WFFNPQFGFDPXJA-UHFFFAOYSA-N	317.323	1.049	50	20	DDGD	
COc1cccc([C@H](C)NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	825686309	GTAYHNCHOYDOJE-MJVIPROJSA-N	321.377	1.512	50	20	DDGD	
CN(Cc1ccccc1N1CCOCC1)S(=O)(=O)CCl	829811824	FJBQYWLNKSXBKL-UHFFFAOYSA-N	318.826	1.481	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNC(=O)c1ccc(O)c(Cl)c1	734118531	KGTQMPBQJFFDQL-VQHVLOKHSA-N	309.709	1.251	50	20	DDGD	
COc1ccsc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	826221407	DELNAMZVZKMMEA-UHFFFAOYSA-N	316.346	1.694	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCC[C@H]2CN2CCCC2)cn1	491174180	GMVVWAQVZWVWPW-TYWAAFNRSA-N	313.405	1.414	50	20	DDGD	
CCN(CCO)NC(=O)COc1cc(Cl)cc(Cl)c1	823865687	XAJDNQSSDHCQOI-UHFFFAOYSA-N	307.177	1.718	50	20	DDGD	
O=C(CC1(O)CCC1)NNC(=S)NCCc1cccs1	820165771	YJVWZEPJSYYKCZ-UHFFFAOYSA-N	313.448	1.091	50	20	DDGD	
CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)NNC(=O)NCC	491055803	AVBUVVLAAVBFOO-AWEZNQCLSA-N	316.402	1.420	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccc(SC(F)F)cc1	495326234	IDLBWLPBZXEUHE-UHFFFAOYSA-N	319.289	1.327	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)co1	495580616	ZIPVIFFSEAAKOV-UHFFFAOYSA-N	311.338	1.264	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@]2(C)CCCCO2)c1	837310602	NDDLLUWSTTVWRS-INIZCTEOSA-N	322.361	1.424	50	20	DDGD	
CC(C)[C@H]1CC[C@@H](C)CC1=NNC(=O)[C@H]1CCS(=O)(=O)C1	730577684	XUWGSUSBHUMQLQ-FRRDWIJNSA-N	314.451	1.986	50	20	DDGD	
Cc1ccc([C@H](O)CNC(=O)[C@]2(C)C[C@H]2Br)o1	907015835	GXUIUMSCZDYITB-HLUHBDAQSA-N	302.168	1.911	50	20	DDGD	
CCC(C)(C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	736314380	RVVKKBYQKBNEOW-UHFFFAOYSA-N	302.338	1.064	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)C(C)(C)c2ccccc2)no1	731222065	LRQJRFDEJATIGV-UHFFFAOYSA-N	316.361	1.791	50	20	DDGD	
O=C(CN(CC1CC1)CC1CC1)NNC(=O)c1ccc(F)cc1	839519210	LONNZZYJJIFJBN-UHFFFAOYSA-N	319.380	1.709	50	20	DDGD	
CC[C@@H]1CCC[C@H]1C(=O)OCC(=O)NNC(=O)c1cccs1	837844832	DPALFRVGRRWMMC-GHMZBOCLSA-N	324.402	1.879	50	20	DDGD	
O=C(NC[C@H](O)Cc1cccc(F)c1)NNC(=O)C1CCCC1	836426452	KSEWFZGSJVFASJ-CQSZACIVSA-N	323.368	1.250	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1[C@H]2CC[C@H]1CC1(CC1)C2	585011244	ZTRFPCFDDPSQFD-RYUDHWBXSA-N	303.142	1.053	50	20	DDGD	
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2cccc(B(O)O)c2)C1	584949508	MMLFFEDEZMDZQL-GOEBONIOSA-N	323.201	1.693	50	20	DDGD	
CN(C)C(=O)C1CCC(C(=O)NNc2ccnc(F)c2)CC1	831917063	FUGXREACRRLITH-UHFFFAOYSA-N	308.357	1.558	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)COCC2CCCC2)cc1	836543571	SSSHAZDVLQLOEI-UHFFFAOYSA-N	301.346	1.526	50	20	DDGD	
CNC(=O)NNC(=O)Nc1cc(OC)c(Cl)cc1OC	837577790	FLCSSGAVWNHSNR-UHFFFAOYSA-N	302.718	1.323	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCCc1nc(O)c2ccccc2n1	910180651	YDRRKVBBTYWSQJ-NSHDSACASA-N	318.377	1.002	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccc(Cl)nn1)N1CCCCC1	918119576	FPVYHDPVXAVLSV-JTQLQIEISA-N	312.805	1.631	50	20	DDGD	
CCCCOCC(=O)OCC(=O)NNC(=O)c1cccc(C)c1	745058399	WWPSLGOCUUNELG-UHFFFAOYSA-N	322.361	1.116	50	20	DDGD	
C[C@@H](NC(=O)C1CCCC1)C(=O)NNc1cccc(C#N)c1	748042035	YEXPNHKNKYRILC-LLVKDONJSA-N	300.362	1.696	50	20	DDGD	
COc1ccc(NNC(=O)c2nc3nc(C)cc(C)n3n2)cc1	746882429	CZADAOJSZGTHJS-UHFFFAOYSA-N	312.333	1.507	50	20	DDGD	
COc1cc(C=NNC(=O)Cc2csc(C)n2)ccc1O	916317213	CXIPNWAFPWUJFV-UHFFFAOYSA-N	305.359	1.859	50	20	DDGD	
Cc1cccc2c1OCCC2=NNC(=O)C(=O)N1CCCC1	748136483	KTDWEELPRJKJGU-UHFFFAOYSA-N	301.346	1.220	50	20	DDGD	
Cc1cnc(Cl)c(C(=O)NNC(=S)N[C@@H](C)C2CC2)c1	912159365	GMDDZMIRGYFWOL-QMMMGPOBSA-N	312.826	1.951	50	20	DDGD	
O=C(Cn1cccnc1=O)NNc1cc(Cl)ccc1Cl	748512653	RKZDPIWNOKCTPS-UHFFFAOYSA-N	313.144	1.693	50	20	DDGD	
COC(=O)c1cc(NNC(=O)N[C@@H]2CC[C@@H](CN)C2)ccc1F	842009622	DBAYDVKDJMPFEM-NXEZZACHSA-N	324.356	1.366	50	20	DDGD	
Cn1cc(CCNC(=O)NNc2cc(F)c(F)c(F)c2)cn1	746751351	MNIVCVUGTQALTL-UHFFFAOYSA-N	313.283	1.706	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCCc1ccc(O)c(F)c1	843970263	CSMIGOLKXNNJBF-JQWIXIFHSA-N	324.352	1.426	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1csc(Cc2ccc(F)cc2)n1	910166489	XFRQMBXPKMHPDM-JTQLQIEISA-N	323.393	1.830	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCC[C@@]1(O)CCCOC1	846596901	OOEHTUWWZLGLHR-GWCFXTLKSA-N	322.243	1.844	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@@H](O)c2ccccc2)o1	746184280	IRSWWEAOTONELE-LBPRGKRZSA-N	300.318	1.846	50	20	DDGD	
NCC[C@@H](NC(=O)NNc1c(F)cccc1F)C(F)(F)F	841332942	KBFCGOFGTMFCPV-MRVPVSSYSA-N	312.242	1.871	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1cn(C)c2ccccc12)[C@H]1CCOC1	841617578	YWIJDAUWPRBXOH-LRDDRELGSA-N	315.373	1.945	50	20	DDGD	
O=C(NCCOC[C@@H]1CCCO1)NNc1ccc(Cl)nc1	745826876	XBLSGXFYYNUUNA-NSHDSACASA-N	314.773	1.557	50	20	DDGD	
COc1ccc(C)cc1CNC(=O)NNC(=O)CC(F)(F)F	918071069	LWAJBSGAFCXHQV-UHFFFAOYSA-N	319.283	1.786	50	20	DDGD	
CCCc1ccc(CCCC(=O)NNC(=O)CN(C)C)cc1	844133188	UFKBVJSIRAVWHW-UHFFFAOYSA-N	305.422	1.671	50	20	DDGD	
CCC(=NNC(=O)c1nnc(O)c2ccccc12)[C@@H]1CCOC1	741838092	PFRNALWZOBPKOV-SNVBAGLBSA-N	314.345	1.868	50	20	DDGD	
Cc1nccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)n1	917390196	GGPWAGZGXNGVSF-UHFFFAOYSA-N	314.389	1.762	50	20	DDGD	
Cc1nn(C(C)(C)C)c(C)c1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843974880	PJNOXHJJFMSBPV-NEPJUHHUSA-N	322.409	1.441	50	20	DDGD	
Cc1ccc(C)c(C=NNC(=O)Cc2cc(O)nc(O)n2)c1	743447839	PPTVPLJNEKZEIP-UHFFFAOYSA-N	300.318	1.197	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1	846376550	AKQHPBUEWMBCKE-YUTCNCBUSA-N	316.357	1.460	50	20	DDGD	
Cc1ccc(C(=O)NN=C2C(=O)N(C)c3ccccc32)c(O)c1	917556395	VGPGCFYUJMZVBU-UHFFFAOYSA-N	309.325	1.811	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H]1CCN(Cc2ccccc2)C1	848144295	QEWOXBBEVUMSMD-OAHLLOKOSA-N	301.390	1.456	50	20	DDGD	
O=C(CC/C=C/c1ccccc1)NNC(=O)CN1CCCC1=O	913730792	JKVIFTLNMGFQEZ-RUDMXATFSA-N	315.373	1.250	50	20	DDGD	
C[C@H](Cc1cnc[nH]1)C(=O)NNc1ccc(C(F)(F)F)nn1	847608782	DMPIOAJASPEETJ-SSDOTTSWSA-N	314.271	1.540	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=C1C[C@@H](C)n2ncnc21	841611427	RHZNNOBMRILTEI-ZJUUUORDSA-N	317.324	1.670	50	20	DDGD	
O=C(NCCNC1CC1)NNC(=O)C12CC3CC(CC(C3)C1)C2	841930877	ZKUHJDDCTRYZNG-UHFFFAOYSA-N	320.437	1.285	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1ncccc1C(F)(F)F	842562993	UGFSGJVWBJZWRJ-DTWKUNHWSA-N	301.268	1.976	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C(F)F)nc1	848814740	DZQLFIDIXLHDDR-ZETCQYMHSA-N	315.276	1.122	50	20	DDGD	
O=C(NN=Cc1ccc(OCC(F)F)cc1)c1cnccn1	741807247	XTMBCTCYOJRSEJ-UHFFFAOYSA-N	306.272	1.884	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=C1C2CC3CC(C2)CC1C3	743445903	KJXLELJYWKWFRL-UHFFFAOYSA-N	316.361	1.359	50	20	DDGD	
COC(=O)c1cnc(C(C)=NNC(=O)NCC(F)(F)F)s1	841619996	RZRQMPQJQTXANB-UHFFFAOYSA-N	324.284	1.515	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NCC[C@H]2CCNC2)ccc1F	841936048	OKWATJVXEMCGBN-SNVBAGLBSA-N	324.356	1.238	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1	840295628	ZEELDSCBXVZNFR-UHFFFAOYSA-N	324.337	1.734	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)Cn1ccc([N+](=O)[O-])n1	751164573	BIZOSZVTQMDMIV-UHFFFAOYSA-N	322.233	1.314	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2ccc(F)c(F)c2)[C@H]1OC	922068415	ISZYLAGPGGCOLQ-JHJVBQTASA-N	315.320	1.783	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1nnc(C(C)(C)C)s1	756155035	MECSOEVSYGIZGJ-UHFFFAOYSA-N	323.382	1.334	50	20	DDGD	
CN1CCC([C@H]2CCN(C(=O)NNC(=O)C(C)(C)C)C2)CC1	756072769	LNUNXRNLKFXXAB-ZDUSSCGKSA-N	310.442	1.437	50	20	DDGD	
CN(CC1CC1)S(=O)(=O)NC[C@]1(C)C[C@H]1Br	856754120	CHTIBDKYFQKBSC-ZJUUUORDSA-N	311.245	1.336	50	20	DDGD	
CC[S@@](=O)CCNC(=O)NNc1ccc(F)cc1Cl	920084851	QYGBXPPPXRMKJW-LJQANCHMSA-N	307.778	1.874	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)CC(=O)NNC(=O)c1cccc(F)n1	856423297	QQCXJANTOMALBE-QMMMGPOBSA-N	320.324	1.780	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1oc(SC)cc1C	853939806	DBWZQRDAAGZERP-QMMMGPOBSA-N	314.363	1.413	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cccc2nccn12)C1CC1	855098956	OSVWFZWFTOLMLH-SECBINFHSA-N	303.391	1.242	50	20	DDGD	
Cc1nc[nH]c1C=NNC(=O)c1cc(-c2cccs2)[nH]n1	755791841	RYSKYOHLIYLMJD-UHFFFAOYSA-N	300.347	1.934	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cnc2n1CCCCC2	857186024	PJZUVAMICQZASE-UHFFFAOYSA-N	306.757	1.810	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2C[C@H](C)Cc3c[nH]nc32)n1	857859131	CDFJCCZKNJYHHU-KCJUWKMLSA-N	316.365	1.326	50	20	DDGD	
CN(C)c1ccnc(CNC(=O)NNC(=O)CC(C)(C)C)c1	924657710	JURSQESETYIPJG-UHFFFAOYSA-N	307.398	1.414	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H]1CC2CCC1CC2	854284873	AUOOBTFYQIARRY-WXRRBKDZSA-N	313.467	1.687	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)Cc2ccccc2OC)o1	920373879	QFZULLNYUPAGTH-UHFFFAOYSA-N	316.313	1.768	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccccc1)CC1=CCSC1	852747692	UGDUWWIACPCXPY-UHFFFAOYSA-N	305.403	1.053	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1cc(F)cc(F)c1O	757460086	OAUDYMGWRCYNME-UHFFFAOYSA-N	308.288	1.785	50	20	DDGD	
C[C@]1(CNC(=O)c2cc3ncccn3n2)C[C@H]1Br	857686976	HWWVXCXTGQVBLI-BXKDBHETSA-N	309.167	1.633	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)c1cnc(C(F)(F)F)nc1	857533294	RAJCDQWNGKMRAZ-UHFFFAOYSA-N	319.193	1.926	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1scnc1Cl	854280490	UVWWPSVPGXGEEJ-UHFFFAOYSA-N	322.843	1.284	50	20	DDGD	
CC(C)(C)n1nnc(C=NNC(=O)c2cccc(Cl)n2)n1	853410472	OGSHWQLZWQSCMA-UHFFFAOYSA-N	307.745	1.240	50	20	DDGD	
O=S(=O)(CBr)N1CCNC[C@@H]1c1ccccc1	850589758	XNQKABKBLVJELF-LLVKDONJSA-N	319.224	1.315	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCC1(N)CCCC1)c1ccccc1	851670890	AMYOAKWSQRZAML-UHFFFAOYSA-N	318.421	1.566	50	20	DDGD	
C[C@@]1(CNC(=O)NCC2=CCCOC2)C[C@H]1Br	856858070	PHLOBDUKLXXAGK-PWSUYJOCSA-N	303.200	1.806	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CC[C@H]1CC1(Cl)Cl	855007705	YDXBPXSEHRYJDD-XHNCKOQMSA-N	309.193	1.533	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)NCC2CC2)c(F)cc1F	753363395	MKBXEICBRLIVCX-UHFFFAOYSA-N	319.333	1.176	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C[C@@H]1CC1(Cl)Cl	853299901	YZGFBHOEFWEUOP-ZETCQYMHSA-N	304.133	1.305	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(O)nc(C3CC3)n2)cc1	857117096	VKQLBLDXPKGPNX-UHFFFAOYSA-N	300.318	1.825	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2ccc(OCC(N)=O)cc2)o1	752174500	INZQXJBELUAKTQ-UHFFFAOYSA-N	301.302	1.216	50	20	DDGD	
CCC1(C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)COC1	755048315	ASOJNHVGJYFXKR-ZDUSSCGKSA-N	320.389	1.645	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1cnn(C(F)F)c1	757867685	VMCNKFCKAGLARB-UHFFFAOYSA-N	310.264	1.069	50	20	DDGD	
COC(=O)CCC[C@H]1CCCC(=NNC(=O)[C@@H]2CCC(=O)N2)C1	863150522	WHYXDWCQCBUMEW-YPMHNXCESA-N	323.393	1.271	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)/C=C\COC)cc1OC	864510746	DFJIUNBMSBXSFC-WAYWQWQTSA-N	322.361	1.448	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cccc2nsnc12	861603340	RUZUZMDTFFJSOM-JGVFFNPUSA-N	321.362	1.269	50	20	DDGD	
CCCc1[nH]nc(C(=O)NN[C@H](C)C(F)(F)F)c1[N+](=O)[O-]	862312681	RLPNHDGGCYAGCL-RXMQYKEDSA-N	309.248	1.456	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2COCCN2CC(F)(F)F)n1	862520027	BRLBEIRKXQAXIN-JTQLQIEISA-N	318.299	1.096	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cnn2ncccc12	863101415	SHHHGKLMPNOPQM-UHFFFAOYSA-N	309.198	1.161	50	20	DDGD	
C[C@@H](NNC(=O)CNC(=O)NC1CCCCC1)C(F)(F)F	862310252	SPNUXJWEADJYQG-MRVPVSSYSA-N	310.320	1.190	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C1CCC[C@H]1Cc1ccccc1	863190078	ZKQLVENHBQGNEV-ZDUSSCGKSA-N	308.403	1.546	50	20	DDGD	
COc1nccnc1NNC(=O)COc1cccc(C(C)=O)c1	764482462	XBNXTGJUFYYSIQ-UHFFFAOYSA-N	316.317	1.210	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccccc1C(F)(F)F	763440596	JXYBJWAHTKEAKL-UHFFFAOYSA-N	303.240	1.201	50	20	DDGD	
COCCOC1CN(C(=O)[C@H](Br)C(C)(C)C)C1	768225919	XEIDRZBJYBHUSA-JTQLQIEISA-N	308.216	1.670	50	20	DDGD	
C[C@H]1C[C@H](N)CN1S(=O)(=O)c1ccc(CCCCl)cc1	866792485	CWYQHUZMNQDZCW-AAEUAGOBSA-N	316.854	1.968	50	20	DDGD	
O=C(NNc1ccccc1F)Nc1ccc(-n2nccn2)nc1	769966785	YOTHZLUXFIGRGJ-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H]2CCCN2C(=O)C2CC2)c1	862480088	NERMEWYAPNPQAU-NSHDSACASA-N	321.402	1.219	50	20	DDGD	
CCOC(=O)c1ccc(S(=O)(=O)NCC(Cl)Cl)o1	867470742	WDZNLLZLERBTOS-UHFFFAOYSA-N	316.162	1.538	50	20	DDGD	
COCCOCC(=O)NNC(=O)/C(F)=C/C1CCCCC1	869905993	HTANWUZANGLGOM-XFXZXTDPSA-N	302.346	1.231	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cn(C)c(=O)c2ccccc12	760165469	IPSHEGIIUBTATH-UHFFFAOYSA-N	316.361	1.283	50	20	DDGD	
CCOC[C@H]1CN(C(=O)/C(C#N)=C/c2ccc(O)cc2)CCO1	862957103	KETGWRSDXUNSTF-SCZPIIQISA-N	316.357	1.563	50	20	DDGD	
O=C(NCCc1cn2c(n1)SCC2)NNc1ccccc1	768524934	SCPPDAPPUGSKCB-UHFFFAOYSA-N	303.391	1.858	50	20	DDGD	
Cc1cc(F)cc2c(=O)c(C(=O)NNc3cccnn3)c[nH]c12	769115405	GDQVWWIXIAXWBO-UHFFFAOYSA-N	313.292	1.523	50	20	DDGD	
CCC(CCc1ccccc1)=NNC(=O)[C@@H]1CCS(=O)(=O)C1	863078783	ZXQVHHKEYFADAT-CQSZACIVSA-N	322.430	1.936	50	20	DDGD	
Cc1nnc(NNC(=O)c2cnc3ccc(F)cc3c2)nc1O	760122643	AKDBMIBWXKWRIV-UHFFFAOYSA-N	314.280	1.330	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	768328851	KRIHONIMYVJOEF-QMMMGPOBSA-N	311.294	1.246	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NC[C@@H](O)COCC1CC1	768263931	JLUUZUMEXBWHQV-GHMZBOCLSA-N	322.243	1.700	50	20	DDGD	
O=C1CCCN1c1ccc(NCc2ccccc2B(O)O)cc1	864019224	VKWQTKPWPWYQJE-UHFFFAOYSA-N	310.162	1.105	50	20	DDGD	
COc1ccc(-c2ncc(C(=O)NNC(C)=O)s2)cc1OC	767404123	WJXYEJHINHEJCB-UHFFFAOYSA-N	321.358	1.608	50	20	DDGD	
C[C@H](Cc1ccco1)NC(=O)NNc1nncc(N)c1Cl	1116289596	SNZQDMCRAQJPMY-SSDOTTSWSA-N	310.745	1.563	50	20	DDGD	
COc1ccc2c(c1)CCCCN2CC(=O)NNC(=O)C1CC1	766267820	AILZVJXAKQDEDI-UHFFFAOYSA-N	317.389	1.395	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C2(C#N)CC(C)C2)c1	874950870	XPHPGRFMRFYPEA-UHFFFAOYSA-N	312.398	1.925	50	20	DDGD	
COCCC1(C(=O)NNC(=O)c2ccc3c(c2)OCO3)CCC1	760235760	RVIZAZPGQAQRNM-UHFFFAOYSA-N	320.345	1.383	50	20	DDGD	
CCCOc1cccnc1C(=O)NNC(=O)NCc1ccco1	760161965	GHMJPSFADWTKLR-UHFFFAOYSA-N	318.333	1.608	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccccc1OC(F)(F)F	775530010	ZBWKZSMRIIBTDC-UHFFFAOYSA-N	305.256	1.939	50	20	DDGD	
C[C@H](COCC1CC1)NC(=O)NNc1nncc(N)c1Cl	1118305563	URPUXZCTJCTBJS-SSDOTTSWSA-N	314.777	1.153	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)Cc2ccn(C)n2)c1	873756205	CKSNVPFEPHUYTD-UHFFFAOYSA-N	317.418	1.597	50	20	DDGD	
C=CCOc1cccnc1C(=O)NNC(=O)CC(F)(F)F	775602652	OSAIJFOTHLDWBN-UHFFFAOYSA-N	303.240	1.360	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21)c1cc2ccccc2o1	779977582	NHZZVKCZUPALPP-LERXQTSPSA-N	300.314	1.619	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CO[C@H]1CCC[C@@H](C)C1	772115258	NEJOLKHSZVZDKW-WOPDTQHZSA-N	314.382	1.071	50	20	DDGD	
CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NNc1c(C)cccc1F	771343968	KAEHUXZCIMJAJW-JQWIXIFHSA-N	308.357	1.675	50	20	DDGD	
C[C@H](S[C@H](C)C(=O)NC[C@]1(C)C[C@@H]1Br)C(=O)O	872882030	DSSNWUOXZPAQDI-GLLZPBPUSA-N	324.240	1.871	50	20	DDGD	
CCNC(=O)NNC(=O)c1csc(Br)c1C	772424818	WTWHJZBIIGPWRL-UHFFFAOYSA-N	306.185	1.783	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)cn1	874954783	CUFVRJCXJATUTH-JFGNBEQYSA-N	320.418	1.844	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NN=C1CCOC(C)(C)C1	872363350	DLMYMZGJWKWBTI-UHFFFAOYSA-N	313.398	1.962	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CCCn1ccccc1=O	772848633	NTXHWUIZWHBYHQ-UHFFFAOYSA-N	315.377	1.685	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cn(-c2ccc(C)cc2)nn1	887141636	BSOPVSRGKIFDDD-UHFFFAOYSA-N	311.345	1.140	50	20	DDGD	
Cc1ccc2c(c1)[C@H](NC(=O)NNC(=O)c1cccnn1)CC2	883345882	MLAJCGCMMCHSTM-CYBMUJFWSA-N	311.345	1.417	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)c1cccc(N2CCCC2)c1	882056276	OKORKXWEARVKAP-UHFFFAOYSA-N	311.345	1.152	50	20	DDGD	
C/C(=C/c1ccc(C)cc1)C(=O)NNC(=O)C1CCOCC1	883070393	OOMVXJJYLZDLRZ-QBFSEMIESA-N	302.374	1.972	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ncc(F)cn2)c(F)c1	773518131	XBDPNMCPHFQTSS-UHFFFAOYSA-N	308.244	1.298	50	20	DDGD	
O=C(NNC(=O)C1CC1)N[C@H](CCc1ccccc1)C(F)F	881016639	BEGYBRHCVIJGJZ-GFCCVEGCSA-N	311.332	1.993	50	20	DDGD	
N#Cc1ccc(C(=O)NNS(=O)(=O)CCC2CCCC2)cc1	882686743	RDDUNTKTYSBNKJ-UHFFFAOYSA-N	321.402	1.703	50	20	DDGD	
C[C@@H]1Cc2cc(C(=O)NNC(=O)C3CCOCC3)ccc2O1	883071877	PQDLTAVDYGWVJU-SNVBAGLBSA-N	304.346	1.198	50	20	DDGD	
C[C@@H]1CC(C(=O)NNc2nc(O)c3cnn(C)c3n2)C[C@@H](C)C1	780511767	YCMFYZUQCCYMFX-IUCAKERBSA-N	318.381	1.584	50	20	DDGD	
CCOc1ccc(C(C)=NNC(=O)C(C)(C)O)cc1[N+](=O)[O-]	785463405	WTQNIJDDYLIPRW-UHFFFAOYSA-N	309.322	1.605	50	20	DDGD	
CC(C)NC(=O)NN=CC(C)(C)N1C(=O)c2ccccc2C1=O	782216061	ZMEDWUBYGHLYAI-UHFFFAOYSA-N	316.361	1.755	50	20	DDGD	
COC(C)(C)C[C@@H](C)NC(=O)NNc1ncncc1Cl	781000997	HVIAINXPNMJKOH-MRVPVSSYSA-N	301.778	1.960	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)N1CCC(F)CC1	883460907	JYNRZBJLKZTYQR-UHFFFAOYSA-N	309.341	1.630	50	20	DDGD	
COc1cccc(NNC(=O)NCCc2cccnc2C)n1	1122265633	UDJMERBPSDFHFN-UHFFFAOYSA-N	301.350	1.662	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H]2CCC[C@H](C(N)=O)C2)cc1	786687354	KSRJESLYNGIINH-KBPBESRZSA-N	317.389	1.302	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C(=O)Nc1ccc2n[nH]cc2c1	784847255	WRNXSZZKATUTFJ-UHFFFAOYSA-N	314.280	1.179	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSc1nccn2ccnc12	788509257	PRASRIQRAGFXMX-UHFFFAOYSA-N	307.379	1.015	50	20	DDGD	
CC[C@H](O)[C@@H](C)C(=O)NNC(=O)COc1cc(C)cc(C)c1	899939808	XAFFKWDQRZMYNZ-OCCSQVGLSA-N	308.378	1.237	50	20	DDGD	
CN(C)c1cccc(CCC(=O)NNC(=O)c2cccnc2)c1	788626766	SKRMOBRPPLFXQY-UHFFFAOYSA-N	312.373	1.541	50	20	DDGD	
CN(C(=O)CCCC[C@@H]1CCSS1)[C@@H]1COC[C@H]1O	899365421	GTXMTXCJIQXOOR-IJLUTSLNSA-N	305.465	1.919	50	20	DDGD	
CCSCCC=NNC(=O)c1cccc(S(C)(=O)=O)c1	781121678	COKIISWKERPVGC-UHFFFAOYSA-N	314.432	1.949	50	20	DDGD	
COc1cc(NNC(=O)C(=O)Nc2cnn(C)c2)ccc1Cl	789798321	MVJAIHCIMNUYLB-UHFFFAOYSA-N	323.740	1.164	50	20	DDGD	
Cc1cc(C(=O)NNc2ncncc2Cl)c2c(C)n[nH]c2n1	781834383	XKRUTPFPMWZMHZ-UHFFFAOYSA-N	317.740	1.775	50	20	DDGD	
O=C(NNc1cccnn1)C(=O)Nc1cc(Cl)ccc1F	784862340	CSCAFXMKBKZBDJ-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1ccc(Br)cn1	794534784	DBOHJKJLDWIPBH-UHFFFAOYSA-N	300.156	1.455	50	20	DDGD	
O=S(=O)(CCCCCl)NCCn1cnc2ccccc21	275647411	XDXNQURTKVFJMC-UHFFFAOYSA-N	315.826	1.975	50	20	DDGD	
N#Cc1ccc(NNC(=O)CC2OCCO2)cc1C(F)(F)F	793709473	AGZMHLJRXRXYOQ-UHFFFAOYSA-N	315.251	1.783	50	20	DDGD	
C=C(CO)C(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C	791293849	BDDBNVUTPRZTBC-UHFFFAOYSA-N	313.357	1.404	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)N1CC[C@@H](CO)[C@H](O)C1	799000277	SXGPWQVIJRECQB-YNEHKIRRSA-N	319.492	1.902	50	20	DDGD	
N#C/C(=C\c1ccc(OCC(F)(F)F)cc1)S(N)(=O)=O	798232211	ORPFOGAIPJNTDC-BJMVGYQFSA-N	306.265	1.781	50	20	DDGD	
CN1CCN(C(=O)NN=C[C@H]2CCOc3ccccc32)CC1	790175710	ISBZBPOSVAVYGP-CYBMUJFWSA-N	302.378	1.496	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21)C(=O)NC1CC1	794622139	WXDXGJCEKXYLJC-CYZMBNFOSA-N	307.394	1.019	50	20	DDGD	
O=C(CN1CCCNC1=O)NNc1cc(Cl)cc(Cl)c1	791717314	JKRTZFOMXKXDFE-UHFFFAOYSA-N	317.176	1.852	50	20	DDGD	
O=C(c1csc(Br)c1)N1CC[C@H](B(O)O)C1	585076993	PEGDPXRHAVKOIN-ZETCQYMHSA-N	303.974	1.200	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc(N(C)C)ccn2)cc1	1318152221	QSGDHJPTFZMPKW-UHFFFAOYSA-N	314.345	1.231	50	20	DDGD	
O=C(CCl)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1	1319682607	PFMBZCQVWOSNOK-UHFFFAOYSA-N	317.172	1.990	50	20	DDGD	
Cc1ccc([C@H](C)[C@H](O)C(=O)NNC(=S)NC(C)C)cc1	1319716901	KCXRDQVCKYRUAX-AAEUAGOBSA-N	309.435	1.363	50	20	DDGD	
C=CCOc1ccc(C(=O)NNc2ccn(C)n2)cc1OC	1320949697	WGJUYEIOJPJVJY-UHFFFAOYSA-N	302.334	1.750	50	20	DDGD	
Cc1ccc2c(c1)S[C@@H](C(=O)NNC(=O)[C@@H]1CCCCO1)C2	1328012886	FDBWRMJKOSZEOX-GXTWGEPZSA-N	320.414	1.728	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2c[nH]cc(Cl)c2=O)c1	1322717318	PTCQYHSZNZOXMV-UHFFFAOYSA-N	321.720	1.572	50	20	DDGD	
C[C@@]1(CNC(=O)c2c[nH]cc(Cl)c2=O)C[C@@H]1Br	1328593857	DBCSYPDFNNHXOY-KWQFWETISA-N	319.586	1.932	50	20	DDGD	
Cn1cc(C(=O)C(=O)NNc2nccc3sccc23)cn1	1328388756	BVTJNKRNLIBJKJ-UHFFFAOYSA-N	301.331	1.356	50	20	DDGD	
Cc1ccc(C(=O)NNc2nncc(N)c2Cl)cc1C#N	1321181534	MGQGZRDTRPFFRP-UHFFFAOYSA-N	302.725	1.649	50	20	DDGD	
O=C(NN=Cc1cccc2c[nH]nc12)[C@@H]1COc2ccccc2O1	1339432309	CMUBISGKNWHBEY-HNNXBMFYSA-N	322.324	1.853	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)cc(C)n1	1336895397	YOBKJFZZFFYRQN-UHFFFAOYSA-N	313.361	1.375	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cnn(C(C)C)c2N)cc1	1256513193	GLBQLDZARNRPDT-UHFFFAOYSA-N	317.349	1.130	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)c1ccc(C(N)=O)nc1	1339453747	NZYPIFCVSBDERY-UHFFFAOYSA-N	304.281	1.085	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NC[C@H]2C[C@H]3C=C[C@H]2C3)c1	1334365164	OCAZZTBBPSWPHW-CORIIIEPSA-N	310.357	1.714	50	20	DDGD	
CN1CC[C@H](NC(=O)NNc2cccc(F)c2Cl)C1=O	1331333964	PZCWBOMCDMTNJI-VIFPVBQESA-N	300.721	1.336	50	20	DDGD	
NC(=O)C1(CNC(=O)c2cccc(CCl)c2)CCOCC1	1338758650	HPIJFPYUHACDFW-UHFFFAOYSA-N	310.781	1.437	50	20	DDGD	
O=C(NCCC(F)F)NNC(=O)c1ccc2c(c1)OCCO2	1343363944	PPZDBANZRJDAHX-UHFFFAOYSA-N	315.276	1.057	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(N2C(=O)CCC2=O)cc1	1348316035	BQYVTOXHAUQDMG-KHPPLWFESA-N	313.313	1.722	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=C1CC[C@H]2CNc3cccc1c32	1343873210	TVKYBJBRKZCEBU-ZDUSSCGKSA-O	307.377	1.798	50	20	DDGD	
CC(C)NS(=O)(=O)CCNC(=O)C1CCC(Cl)CC1	1346377425	RQAFADJMLFQEOO-UHFFFAOYSA-N	310.847	1.228	50	20	DDGD	
Nc1cnnc(NNC(=O)C2(Oc3ccccc3)CC2)c1Cl	1351245727	RUWPTMRYEMLHDG-UHFFFAOYSA-N	319.752	1.767	50	20	DDGD	
Cc1ccc(CC(=O)N(c2nc(CC(=O)O)cs2)N(C)C)o1	1600396934	LRSVFHCVEWJQOX-UHFFFAOYSA-N	323.374	1.724	50	20	DDGD	
Cn1cc(Cl)c(C(=O)NNc2ccc(C(=O)O)cc2F)n1	1600956336	CPYARRJNVFVEEQ-UHFFFAOYSA-N	312.688	1.668	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1cc(C(=O)O)ccn1	1601555972	UOFCCRZFCOLKDL-UHFFFAOYSA-N	300.274	1.246	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@@H](O)C2CCCCC2)ccc1F	1602286875	RZFCHVXDSRUHLF-ZDUSSCGKSA-N	310.325	1.908	50	20	DDGD	
C[C@H](OC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)C(=O)C(=O)O	1604393339	IQAUXQXAQTZVTN-OUDXYJABSA-N	319.151	1.526	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNc2ccc(C)c(C(=O)O)c2)C1	1604853360	RDSSIEYRDRXTLX-NSHDSACASA-N	319.361	1.395	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cc(C(=O)O)n[nH]2)cc1Cl	1605612009	DJJCZZSAYOOQLL-UHFFFAOYSA-N	305.681	1.390	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H](C)c2nccn2C)cccc1C(=O)O	1600051225	MVCQXCWGEFKQOP-JTQLQIEISA-N	317.349	1.814	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@]2(C(=O)O)CC=CCC2)n1	1605408063	GAIZKKABYKKBTD-ZDUSSCGKSA-N	310.741	1.693	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C1(C(=O)O)CCSCC1	1602907578	AINIPJRHIHAIOO-UHFFFAOYSA-N	304.368	1.140	50	20	DDGD	
O=C(O)C(=O)NN=Cc1cnn(Cc2ccccc2)c1Cl	1608531277	XBBRTINHBUFDFN-UHFFFAOYSA-N	306.709	1.120	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc2[nH]nc(C(=O)O)c2c1	1610018492	HDELOQAOMVQMNQ-UHFFFAOYSA-N	307.266	1.044	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(Cc1ccccc1)[C@H](C)C(=O)O	1610035578	PICYZSSESDQSPL-SLQMCABGSA-N	302.330	1.932	50	20	DDGD	
CO[C@H](C)C(C)=NNC(=O)[C@H]1CCCO[C@@H]1c1nccn1C	1549309774	KBDKPKXXCNLNNF-AGIUHOORSA-N	308.382	1.415	50	20	DDGD	
COCCC(=O)N1CCN(C(=O)C2CCC(Cl)CC2)CC1	1548692664	ZEWSWLKQOSDBKU-UHFFFAOYSA-N	316.829	1.491	50	20	DDGD	
CCCCCCCC[C@H](N)C(=O)NNC(=O)c1cnsn1	1577430177	SJFXZVNIVPYPND-JTQLQIEISA-N	313.427	1.377	50	20	DDGD	
CN(C)CC[C@H](N)C(=O)NNc1ccc(C(F)(F)F)cc1	1578415377	NTFBVPWIVZGKSG-NSHDSACASA-N	304.316	1.428	50	20	DDGD	
Cc1nc(-c2cccnc2)nc(NNC(=O)C2(N)CCC2)c1C	1579511862	BMCKNWCDTPRSPR-UHFFFAOYSA-N	312.377	1.480	50	20	DDGD	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)NNC(=O)[C@H]1CCN1	1576300008	HYNKOUZWMINJED-LDYMZIIASA-N	313.810	1.330	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@H]1CCC[C@@H](N)C1	1579309527	HDFAMZLFWOZUKW-WDEREUQCSA-N	322.434	1.530	50	20	DDGD	
O=C(O)/C=C\c1cc(C(=O)NNc2ncc(F)cc2F)co1	1594967689	DWQUSOVTRYMEOK-UPHRSURJSA-N	309.228	1.808	50	20	DDGD	
O=C(O)[C@@H](C(=O)NNc1ccnc(Br)c1)C1CC1	1594835804	LJWRNEMTLZYECQ-SECBINFHSA-N	314.139	1.398	50	20	DDGD	
CC[C@H]1C[C@H](NC(=O)NNc2ccc(CC(=O)O)cc2)CCO1	1595413213	JPORFYMPNYOHOZ-KGLIPLIRSA-N	321.377	1.897	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)Cc2ccccc2C(=O)O)n1	1594453185	JIQXYUVKYRVTTO-UHFFFAOYSA-N	320.736	1.822	50	20	DDGD	
CC(C)(CC(=O)O)CC(=O)NNc1ccc2c(=O)[nH]ccc2c1	1590635485	RBRMHMRJDFGIMQ-UHFFFAOYSA-N	317.345	1.862	50	20	DDGD	
O=C(O)CCCC=NNC(=O)[C@H]1OCC[C@H]1c1ccccc1	1595031672	VDJDEJBBRAGZRB-ZFWWWQNUSA-N	304.346	1.916	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H](C(=O)O)C1CC1	1593866786	BXRYVQDNRCIHSG-JTQLQIEISA-N	310.281	1.166	50	20	DDGD	
COC(=O)[C@H](NNC(=O)CC1CC1)c1cccc(C(=O)O)c1	1598708729	GYPKAROZUFVVAZ-CYBMUJFWSA-N	306.318	1.020	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1cc(F)c(C(=O)O)cc1F	1777033703	BKZWCGUHZHXTDU-BAQGIRSFSA-N	316.285	1.419	50	20	DDGD	
O=C(NN=C1CCCn2ccnc21)Nc1ccc(C(=O)O)cc1	1776046047	YMBZNUFBEYBQKY-UHFFFAOYSA-N	313.317	1.901	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=S)N[C@H]2CCCC[C@H]2C)n1	16316505	QOEKQXVMJTXDHI-MFKMUULPSA-N	323.466	1.574	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNC(=O)c1cccc2ccccc12	150841550	KCVJLDLACUUTRO-NSHDSACASA-N	314.341	1.800	50	20	DDGD	
Cc1nn(C)c(C)c1OCC(=O)NNc1ccc(Cl)nn1	162985461	PJTAOAPRUTVGBI-UHFFFAOYSA-N	310.745	1.002	50	20	DDGD	
O=C(CCl)NCCNC(=O)c1ccc(Br)cc1	169910910	AYDKADOXLPFTPR-UHFFFAOYSA-N	319.586	1.534	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CS[C@@H]2CCO[C@@H]2C)cc1	163431367	VXPHKBGLYGVIMU-DGCLKSJQSA-N	308.403	1.667	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)/C=C/c1cccs1	8237019	UATMDWAUMQXPAU-VOTSOKGWSA-N	313.448	1.635	50	20	DDGD	
Cc1csc(=O)n1CCC(=O)NNc1ncccc1[N+](=O)[O-]	152774161	ZOCDWUNGSKWDJR-UHFFFAOYSA-N	323.334	1.055	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNc1ncccc1[N+](=O)[O-]	153583847	MABFFEIUJZGVTI-UHFFFAOYSA-N	306.253	1.651	50	20	DDGD	
O=C(CCc1cccc(F)c1F)NNc1ncnc2nc[nH]c12	156296954	JTLHHZSVWCELDU-UHFFFAOYSA-N	318.287	1.707	50	20	DDGD	
CN(C)Cc1cccc(C(=O)NNc2nccnc2Cl)c1	156531825	VMOVNORTPCKUJT-UHFFFAOYSA-N	305.769	1.949	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccc(O)c([N+](=O)[O-])c1	159862386	FITIQIQTVKBZEF-UHFFFAOYSA-N	318.245	1.966	50	20	DDGD	
O=C(NC1CCS(=O)(=O)CC1)c1cccc(CCl)c1	36331733	CCMVVCLRHGDGFK-UHFFFAOYSA-N	301.795	1.732	50	20	DDGD	
O=S(=O)(CCCCl)NCCCn1cnc2ccccc21	40809682	YTZTYGAZRNUING-UHFFFAOYSA-N	315.826	1.975	50	20	DDGD	
CNC(=O)C[C@@H](C)NS(=O)(=O)c1ccc(CCl)cc1	322764955	GZNCHOSSDLKWSM-SECBINFHSA-N	304.799	1.228	50	20	DDGD	
CCOC(=O)NN=C(C)CCN1C(=O)c2ccccc2C1=O	491282677	OUEQGJUMZZPMTF-UHFFFAOYSA-N	303.318	1.795	50	20	DDGD	
O=C(NNC(=O)c1cccc[n+]1[O-])c1cc2ccccc2cc1O	50170460	QFLBCACLPCZRJR-UHFFFAOYSA-N	323.308	1.254	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@H]1CCC[C@H]1C	104811159	WHFURRGDRGBLRP-YPMHNXCESA-N	305.378	1.757	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H](C)N2CCC[C@H](C)C2)nn1	106331581	QLLQGTYLAYZQDE-AAEUAGOBSA-N	306.414	1.532	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNC(=O)c1cc(Br)c[nH]1	119882343	LNGZJPBXBSQFOD-LLVKDONJSA-N	318.171	1.089	50	20	DDGD	
CC[C@H](C)NC(=O)CCNC(=O)NNC(=O)c1ccccc1C	56917030	CCGTULNMWCXVKO-LBPRGKRZSA-N	320.393	1.244	50	20	DDGD	
CCN(CCNC(=O)NNC(=O)Nc1ccccc1C)C1CC1	102066519	ZANLXULXJXUOQB-UHFFFAOYSA-N	319.409	1.815	50	20	DDGD	
COC[C@H](NC(=O)NNc1nc(C)cc(C)n1)c1ccco1	175734461	MFQIKFYZAWLBLM-NSHDSACASA-N	305.338	1.700	50	20	DDGD	
C[C@H](CNC(=O)NNc1ncccn1)Oc1ccc(F)cc1	173280706	AZWBBCYGWKSKNI-SNVBAGLBSA-N	305.313	1.709	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc(NC3CC3)nc2)cc1	61462781	RHEDEDDAPUSLRH-UHFFFAOYSA-N	321.340	1.602	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NOCc1ccccc1	66908211	DUSAZQQQYMKYDM-UHFFFAOYSA-N	317.320	1.830	50	20	DDGD	
C=CCCCC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1	175274914	HGPVTULNEVASOB-UHFFFAOYSA-N	310.375	1.207	50	20	DDGD	
Cc1cc(C(=O)NNc2ncnc3nc[nH]c23)c2ccccc2n1	173951401	RDZYKXLKMJCYDA-UHFFFAOYSA-N	319.328	1.966	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)Cc1ccccc1OC	175652614	NMLSODIVUJGTFU-UHFFFAOYSA-N	306.362	1.368	50	20	DDGD	
COc1cc(/C=C(\C#N)C(N)=C(C#N)C#N)cc([N+](=O)[O-])c1O	111450448	MXGBEKBXVHFKJH-XNWCZRBMSA-N	311.257	1.476	50	20	DDGD	
O=C(Cc1cnn(-c2ccccc2)c1)NNC(=O)c1cccnc1	29475424	ODDAOZDQRPVZFR-UHFFFAOYSA-N	321.340	1.271	50	20	DDGD	
O=C(NN[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1	25692809	NYWRACUGIPMISE-MRXNPFEDSA-N	309.369	1.941	50	20	DDGD	
O=C(CO)NNC(=O)c1ccc(COc2ccccc2)cc1	182773307	LATHZSUNITUXQH-UHFFFAOYSA-N	300.314	1.019	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccoc2)cc1C	78771669	GYOFISVRPODNRU-UHFFFAOYSA-N	301.302	1.296	50	20	DDGD	
CS(=O)(=O)c1ccc(NC(=O)NNc2ccncc2)cc1	183063492	PPSJXOUGDMCDJF-UHFFFAOYSA-N	306.347	1.634	50	20	DDGD	
COc1ncccc1NC(=O)C(=O)NNc1ccc(F)cc1C	189198013	YAROPHXODNIBOU-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
CC(C)c1ccc(N2CC[C@H](C(=O)NN(C)C(N)=O)C2=O)cc1	182656694	LQYVPZVJCIRMBE-CYBMUJFWSA-N	318.377	1.205	50	20	DDGD	
O=C(NNc1ccccn1)NC1CCN(C[C@@H]2CCOC2)CC1	77670415	IOWJWCANXKOZDA-ZDUSSCGKSA-N	319.409	1.209	50	20	DDGD	
CC[C@@H]1C[C@@H](C(=O)NNC(=O)c2ccc(C#N)cc2)CCO1	183647816	MJTUODRDFFHXIC-UONOGXRCSA-N	301.346	1.524	50	20	DDGD	
COCc1c(C(=O)NNc2cnccn2)cnn1-c1ccccc1	186424050	FJOHSLLKLWPIMQ-UHFFFAOYSA-N	324.344	1.566	50	20	DDGD	
Cn1c(=O)n(CCC(=O)NNc2ccncc2)c2ccccc21	180467807	YIIWYSPQYJZONA-UHFFFAOYSA-N	311.345	1.268	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1ccccc1F)N1CCCCCC1	74592236	LEPORKGETCHTGZ-CYBMUJFWSA-N	321.396	1.780	50	20	DDGD	
CC(=O)c1cccc(OCC(=O)NNc2ncc(F)cn2)c1	123324801	KDMQNTMRLQLKPI-UHFFFAOYSA-N	304.281	1.340	50	20	DDGD	
O=C(Cc1ccc(-n2cccn2)cc1)NNc1ncc(F)cn1	123240459	JSIHALARIWIERD-UHFFFAOYSA-N	312.308	1.487	50	20	DDGD	
Cc1cccc(NNC(=O)CCc2c(C)nc(C)[nH]c2=O)c1	183964333	ZNKGHTDRWXYNPF-UHFFFAOYSA-N	300.362	1.771	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)nc(C)n1	129000423	KDRDKNDJGWGVLG-CYBMUJFWSA-N	317.393	1.185	50	20	DDGD	
CC(=O)c1cccc(OCC(=O)NNc2nc(C)cc(C)n2)c1	71417839	QVDVRVHCRZLGMS-UHFFFAOYSA-N	314.345	1.818	50	20	DDGD	
Cc1cc(CCCC(=O)NNC(=O)Cc2cc[nH]n2)c(C)s1	186156306	WOTAMPBZTBYUPO-UHFFFAOYSA-N	320.418	1.801	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C(=O)NNc2ccncc2)c1C	180534174	JPXNLQBFNAAIPM-UHFFFAOYSA-N	302.334	1.960	50	20	DDGD	
O=C(NNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1ccccc1	195526721	CDSOLZGSJXBLBX-UHFFFAOYSA-N	321.239	1.948	50	20	DDGD	
CC1CCN(CCNC(=O)NNc2cccc(C#N)c2)CC1	46370015	FDLLFDBHANDVNP-UHFFFAOYSA-N	301.394	1.916	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc3[nH]ncc3c2)cc1	131505106	IYERPCWNROIWJZ-UHFFFAOYSA-N	309.329	1.953	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)Oc2cccc(F)c2)o1	84292390	DLIMROLTNPQTAG-JTQLQIEISA-N	306.293	1.956	50	20	DDGD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)CCc1ccccc1	132452423	PGAMURJMOXTZOP-ZFWWWQNUSA-N	320.389	1.351	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)COc1cc(Cl)ccc1Cl	190065909	XQDHRHDUMJBDMF-UHFFFAOYSA-N	321.160	1.291	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C[C@H]2CCCO2)c1	46764000	VSGVSFLOAAXLMV-CYBMUJFWSA-N	306.362	1.399	50	20	DDGD	
COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NNc2ncccn2)c1	191721290	ULSDQLKFZGKIGO-AAEUAGOBSA-N	314.345	1.741	50	20	DDGD	
CCN(CC)CCCNC(=O)NNc1cccc([N+](=O)[O-])c1	43003602	XWXJKANJKCHHJH-UHFFFAOYSA-N	309.370	1.953	50	20	DDGD	
COc1ccccc1OCC(=O)NNc1nc2ccccn2n1	191907070	LJFGEYLSFNWUDS-UHFFFAOYSA-N	313.317	1.260	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NN=c1sc2ccccc2n1C	254971240	NDJDSVWDBXBFBX-LLVKDONJSA-N	323.418	1.613	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@H](C)C(C)(C)C	265317011	ULWFHNMGQXJCHD-LLVKDONJSA-N	308.378	1.904	50	20	DDGD	
CCC(=CC(=O)NNC(=O)CNC(=O)c1cccs1)CC	268304092	ZCABPZJASRNOKL-UHFFFAOYSA-N	309.391	1.372	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1oc(C)nc1C	266753981	DJGWFXPYLJOARI-UHFFFAOYSA-N	319.317	1.140	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cn1	265116692	YZPLDLBHWIHVFF-UHFFFAOYSA-N	316.405	1.880	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNc2nc(O)c3ccccc3n2)O1	268185067	MDTVLRBVPZMGQR-SKDRFNHKSA-N	302.334	1.736	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H](C)Cn2ccnc2)cccc1[N+](=O)[O-]	263965430	KGMGJSWSMIKNMA-JTQLQIEISA-N	318.337	1.815	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)N[C@@H]2CCSC2)c1	266764444	HLHWJDWNOKBOBN-GFCCVEGCSA-N	323.418	1.518	50	20	DDGD	
C[C@@H](CCc1ccc(O)cc1)NC(=O)NNC(=O)C1CCC1	264683953	BKRUIGXJSMKUPM-NSHDSACASA-N	305.378	1.844	50	20	DDGD	
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cccnc1	264138629	ULIGLTAZDCKAIV-NSHDSACASA-N	322.365	1.146	50	20	DDGD	
CN(NC(=O)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)C(N)=O	367949626	GUOLYBXTDACNGK-CQSZACIVSA-N	314.386	1.065	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC(C#N)(c2ccccn2)CC1	367092868	QGTKDIQRWFOXPS-WYMLVPIESA-N	310.357	1.909	50	20	DDGD	
C=C(C)[C@H](CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)OCC	270146887	UKXBUNXZFRFDRD-ZDUSSCGKSA-N	321.333	1.727	50	20	DDGD	
CC(C)[C@H]1C[C@H](NC(=O)NNC(=O)Cc2ccncc2)CCO1	271585041	VZBKVZKFZTZGSH-ZIAGYGMSSA-N	320.393	1.158	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C(C)=O)c(C)c1	274086513	SJFRPQRAJOMBOK-SECBINFHSA-N	319.361	1.330	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(NC(=O)C2CC2)cc1	271243222	BBGLRDDTPZWRIK-UHFFFAOYSA-N	304.350	1.341	50	20	DDGD	
C=CCCCCNC(=O)NNC(=O)COc1ccc(C#N)cc1	274693985	VVTJJELNYOSLAV-UHFFFAOYSA-N	316.361	1.624	50	20	DDGD	
CC(=O)Nc1cccc(C(=O)NNC(=O)NC2CCCC2)c1C	276083735	GXSVZGKBUYAIDK-UHFFFAOYSA-N	318.377	1.840	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H](C)NC(=O)C2CCCC2)n1	272557269	SJBWLJVDAULTAE-SNVBAGLBSA-N	306.366	1.228	50	20	DDGD	
CC[C@@H]1C[C@@H](CC(=O)NNC(=O)c2ccccc2O)CCO1	273268198	WOXQKZTUPUQPOI-NWDGAFQWSA-N	306.362	1.749	50	20	DDGD	
CCC[C@@H]1CN(C(=O)NNC(=O)c2cccc(C)n2)CCO1	279709526	SJVGADBIOMMGFQ-GFCCVEGCSA-N	306.366	1.245	50	20	DDGD	
CC(C)(C)c1nnc2ccc(C(=O)NNc3cccnn3)cn12	274610398	ZAAPJEGINJSUKY-UHFFFAOYSA-N	311.349	1.574	50	20	DDGD	
CC(C)(C)[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1ccncn1	277294881	SUKVFPCJKPFXOE-JSGCOSHPSA-N	320.393	1.008	50	20	DDGD	
C[C@H]1CN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CC[S@](=O)C1	277563296	NLNQEBZZUKOURJ-MPVDVZIPSA-N	320.389	1.960	50	20	DDGD	
C[C@@H]1CCC[C@H]1NCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	281967364	GQQYNOSVSHLAPY-ZWNOBZJWSA-N	320.349	1.134	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cnc(C2CCCC2)nc1N	289049365	LBBCEYSMSVZSNV-UHFFFAOYSA-N	321.381	1.886	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H]1C(=O)NNc1cc(F)c(F)c(F)c1	285856943	UTZGRKLRBFBWMT-HTQZYQBOSA-N	302.252	1.746	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C(C)(C)OC(C)=O)cc1	287363489	YOFQJWQSYPTIKD-UHFFFAOYSA-N	322.361	1.117	50	20	DDGD	
C[C@H]1Oc2ccccc2[C@@H]1NS(=O)(=O)CBr	377382820	MOJMJBYAIKBCRD-GMSGAONNSA-N	306.181	1.780	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnc([C@H](C)O)s2)s1	282872555	ARCVZRQSFNBKML-ZETCQYMHSA-N	311.388	1.641	50	20	DDGD	
CNC(=O)CCCNC(=O)NNc1ccc2c(O)nccc2c1	287145272	LMEFONVJEHKMKY-UHFFFAOYSA-N	317.349	1.093	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CCCC(N)=O)c(Cl)c1	283635681	BYVKGYBNYYBUBP-UHFFFAOYSA-N	312.757	1.457	50	20	DDGD	
C[C@H](CBr)CN1CCC[C@H](c2nc(O)n[nH]2)C1	808777283	JGLIPONJBYDJOD-BDAKNGLRSA-N	303.204	1.721	50	20	DDGD	
COc1ncccc1CCNC(=O)NNc1ccc(C)cn1	290857048	DMFPZFMQBFUSNP-UHFFFAOYSA-N	301.350	1.662	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2coc(C)n2)cc1	801608696	XXVWWFMPOSYJFO-UHFFFAOYSA-N	303.318	1.385	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)C(=O)c1ccc(O)cc1	805463102	YPXPCQSNAHANMA-UHFFFAOYSA-N	312.329	1.776	50	20	DDGD	
CCCCCNC(=O)/C(C#N)=C/c1c(C(=O)OC)nn(C)c1C	291889999	JMNHWJBDDULOLY-FMIVXFBMSA-N	318.377	1.729	50	20	DDGD	
CCc1cc(C(=O)NNc2nc(C)cc(OC)n2)ccc1O	291994877	SGRHRGRQPWCGJG-UHFFFAOYSA-N	302.334	1.819	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccnc(Br)c1	296790626	FPKGUAXSFFOTRR-UHFFFAOYSA-N	316.159	1.542	50	20	DDGD	
O=C(CSCc1ccncc1)NNC(=O)[C@@H]1CCCCO1	295678151	XRPRQQNLXFQRGM-LBPRGKRZSA-N	309.391	1.031	50	20	DDGD	
N#CSCCCNC(=O)c1cc([N+](=O)[O-])c2nsnc2c1	808026487	ZOHMLMVKCYKDAE-UHFFFAOYSA-N	323.359	1.934	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H](O)C2CCCCC2)cc1	802055061	ZOOISKSESCXUCE-AWEZNQCLSA-N	321.377	1.789	50	20	DDGD	
Cc1nnc(CCNC(=O)NNc2cncc(Cl)n2)s1	292261700	IAVLLLFAYLARBL-UHFFFAOYSA-N	313.774	1.159	50	20	DDGD	
CCCCN(C)C[C@@H](C)NS(=O)(=O)CBr	809860801	ZVDDMWJVJWNLQE-SECBINFHSA-N	301.250	1.379	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)CC2OCCCO2)cc1	802123119	JIBBAMHYOMZHRV-UHFFFAOYSA-N	322.365	1.058	50	20	DDGD	
O=C(CC1OCCCO1)NNc1ccc2c(=O)[nH]ccc2c1	803439529	FXRRHDCGPJPZKY-UHFFFAOYSA-N	303.318	1.124	50	20	DDGD	
CC[C@@H](C(=O)NNc1cc(C(F)(F)F)ccn1)C(=O)OC	295360698	NZDZRWFGJAEFPP-QMMMGPOBSA-N	305.256	1.743	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)Cc2ccc(C#N)cc2)cc1	802057824	PMRKLHBUOOHKFF-UHFFFAOYSA-N	324.340	1.962	50	20	DDGD	
NC(=O)c1ccccc1NCC(=O)NNc1ncccc1Cl	809679169	CNQMDSIGLIYKDM-UHFFFAOYSA-N	319.752	1.389	50	20	DDGD	
O=C(Cc1cccc(Cl)c1)NNC(=O)N=c1cc[nH]cc1	802027160	VBOISWWOTBMVFG-UHFFFAOYSA-N	304.737	1.552	50	20	DDGD	
Cc1cc(C(N)=O)ccc1NC(=O)NNc1ncccc1F	806202963	XZZQCAFNQWHGMA-UHFFFAOYSA-N	303.297	1.777	50	20	DDGD	
C[C@@H](Cc1ccc(Br)cc1)C(=O)NNc1nnc[nH]1	293514032	AJVOFNDGCKYNQH-QMMMGPOBSA-N	324.182	1.889	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2cncs2)c1	807245606	DIVYHPOBZHAOKO-UHFFFAOYSA-N	305.359	1.600	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1nccc(C(F)F)n1	807608535	VCYVCVPQNAORNW-UHFFFAOYSA-N	301.297	1.291	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)[C@@H](C)Oc2ccc(F)cc2)nn1	807953852	ZFSUVNBYHJWYIO-LLVKDONJSA-N	319.340	1.916	50	20	DDGD	
COC(=O)c1c(F)cc(NC(=O)NNC(=O)C(C)C)cc1F	801834437	PSMXIRAYBDMPCD-UHFFFAOYSA-N	315.276	1.560	50	20	DDGD	
COc1cncc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)n1	803432862	PLNTUDQVCXKXBH-UHFFFAOYSA-N	311.301	1.084	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NN=Cc1c[nH]c(C(=O)O)c1	814729446	PYDSZERFQQFIRY-UHFFFAOYSA-N	311.301	1.213	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc(C)cc1)C[C@H](C)OC	812908503	MAJHQJOORDQCOQ-ZDUSSCGKSA-N	307.394	1.113	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2ccccc2F)n1C	814714649	PICAULDZJZXJSL-UHFFFAOYSA-N	319.292	1.026	50	20	DDGD	
O=C(CC1CCCC1)NCC(=O)NNc1cccc(Cl)n1	817004449	CNDKILOCZDBIEY-UHFFFAOYSA-N	310.785	1.875	50	20	DDGD	
CCOc1ccc(NNC(=O)c2cc3n(n2)CCCO3)cc1	817885527	BXGJOIUSEVSWMF-UHFFFAOYSA-N	302.334	1.821	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)NNc1ncncc1F	817079229	NDNRRUJDKORIPZ-SNVBAGLBSA-N	309.345	1.096	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C[C@H]1COC(=O)C1	816485885	DMNLRGVZEAMDCK-MRVPVSSYSA-N	312.757	1.650	50	20	DDGD	
CSCC[C@H](NC(=O)c1ccco1)C(=O)NN(C)C1CC1	819640936	HOIHHKFPBJWBCX-NSHDSACASA-N	311.407	1.257	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1ccc(F)c(Br)c1	727648198	XVCOBLDYBOITLQ-UHFFFAOYSA-N	316.174	1.990	50	20	DDGD	
CO[C@H](C)CCNC(=O)NNC(=O)c1c(C)nc2ccccn12	726713613	JSRLPEWZJGIMOE-SNVBAGLBSA-N	319.365	1.012	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)Cn2ccnc2C(C)C)n1	823695785	NYJJKEYCTCQDCL-UHFFFAOYSA-N	308.773	1.902	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cn(C)nc1-c1ccccc1	495275223	GGSYVRZSGRFWFK-UHFFFAOYSA-N	303.322	1.870	50	20	DDGD	
C#CC1CCN(C(=O)NNC(=O)Cn2ccc3ccccc32)CC1	825937768	BAIZIOUDMPLDAI-UHFFFAOYSA-N	324.384	1.727	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H](C(N)=O)c1ccccc1	491105415	QCQDEFWPJLFCIA-DNXIFWLFSA-N	321.336	1.642	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCc1ncc(-c2ccccc2)o1	823983358	RJZKQDNQUUTDJM-LBPRGKRZSA-N	303.362	1.618	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCNC(=O)OC)c1ccccc1	491318909	GMCZXBSWXXMYEA-GFCCVEGCSA-N	307.350	1.074	50	20	DDGD	
C[C@H](NNC(=O)c1cc(C(F)(F)F)cnc1O)C(F)(F)F	824828993	FDOAGUBLXGFQPI-BYPYZUCNSA-N	317.189	1.991	50	20	DDGD	
CCN(CCO)NC(=O)CCCc1ccc2c(c1)OCCCO2	823897518	FQWPBCLRHMMIHM-UHFFFAOYSA-N	322.405	1.516	50	20	DDGD	
CC(C)NC(=O)CCCC(=O)NNc1oc(C(C)C)nc1C#N	729528771	JAAIJTGJDFYWGC-UHFFFAOYSA-N	321.381	1.808	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)Cc2ccc(F)cc2)nc(N)n1	828367875	YDOWROJJOCUTTM-SECBINFHSA-N	303.341	1.828	50	20	DDGD	
Cc1cccc(C)c1OCC(=O)NNC(=S)NCC1CCC1	727270080	BNPCXNZTHVWKFP-UHFFFAOYSA-N	321.446	1.978	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1csc(C2CC2)n1	494622867	BWRVUVGZBIWYIP-UHFFFAOYSA-N	324.406	1.995	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cccc(Nc2ncccn2)c1	823976740	INFQZFHRBCAQHF-NSHDSACASA-N	301.350	1.178	50	20	DDGD	
CCNC(=O)Nc1ccc(C)c(NC(=O)NNC(=O)OCC)c1	496457599	UFUIYCSJNPAPGT-UHFFFAOYSA-N	323.353	1.919	50	20	DDGD	
CCc1cc(C(=O)NNC(=S)Nc2ccc(OC)nc2)n[nH]1	729692079	JKVVNORCQRYXEQ-UHFFFAOYSA-N	320.378	1.007	50	20	DDGD	
Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(B(O)O)cc2)c1	584933397	GNPHXRABVBRZBP-KRWDZBQOSA-N	309.174	1.652	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc(OC)cc1C	901195261	DRLZVYOEGOQIIN-UHFFFAOYSA-N	305.378	1.759	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2C(=O)NNC(=O)C2CC2)C1	495525266	DLIPQIUERNQUDP-BDJLRTHQSA-N	323.393	1.191	50	20	DDGD	
CC(C)NC(=O)Nc1ccc(C(=O)NN(C)[C@H](C)CO)cc1	823971582	WRQRSHSLZJHCLY-LLVKDONJSA-N	308.382	1.174	50	20	DDGD	
Cc1ccccc1OC[C@@H](C)NCc1ccc(B(O)O)cc1F	585018952	XSKFMEOLOKJQAF-CYBMUJFWSA-N	317.169	1.371	50	20	DDGD	
CC[C@@H]1CN(C(=O)[C@]2(C)C[C@@H]2Br)C[C@@H](C)[S@@]1=O	908145440	MZMFEYZABIMDJV-CKLYYFPHSA-N	322.268	1.918	50	20	DDGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C)C(=O)O	828906743	LENBYRNPWCHJBZ-KKNAONHISA-N	300.318	1.092	50	20	DDGD	
CN(NS(=O)(=O)CCc1cccs1)C(=O)OC(C)(C)C	496973804	JYVIPKKIHPZAMA-UHFFFAOYSA-N	320.436	1.992	50	20	DDGD	
CC(C)[C@H](O)C(C)(C)CNC(=O)/C(C#N)=C\c1cnn(C)c1	491109212	ZMOBMPGHMDGRFY-XMRSSTEGSA-N	304.394	1.486	50	20	DDGD	
CN(C)c1ncc(CNC(=O)[C@@]2(C)C[C@@H]2Br)n1C	906667432	WFDFNMZAOYKSIM-CABZTGNLSA-N	315.215	1.276	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)C[C@@H](C)C2CC2)C[C@@H](C)O1	732258755	HAIAJLNSPYIWOH-UPJWGTAASA-N	311.426	1.069	50	20	DDGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cnn(C)n2)cc1OC	821030909	DKIYEAHPUCUUCA-UXBLZVDNSA-N	313.317	1.378	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)Cc2cc(O)nc(S)n2)C1(C)C	736430382	YPBBAQNLHJZVFS-SNVBAGLBSA-N	324.406	1.321	50	20	DDGD	
CC[C@@H](C)N(C(=O)COc1ccc(B(O)O)cc1)[C@H](C)CC	584910272	YJCVWNDDUHZHAX-CHWSQXEVSA-N	307.199	1.171	50	20	DDGD	
CC(=NNC(=O)OC(C)(C)C)c1ccc(-n2cnnn2)cc1	490787955	QWWGSXZSSUJQII-UHFFFAOYSA-N	302.338	1.911	50	20	DDGD	
CC(C)CC[C@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1	584962241	KKZPDRURZOYPEP-CYBMUJFWSA-N	321.201	1.794	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cccc2ccncc12	901853684	CGTIXMJIPYNEQH-JTQLQIEISA-N	307.375	1.590	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1C	731314857	WMTMNEUJMCOHTA-NSHDSACASA-N	312.366	1.409	50	20	DDGD	
Cc1cccc(OCCCNC(=O)NNc2cccnn2)c1	736372824	ZMIQBBINYYLKRF-UHFFFAOYSA-N	301.350	1.880	50	20	DDGD	
C[C@H](CNCc1ccc(B(O)O)cc1)Oc1ccc(F)cc1	585026781	KCAXSTUMHHIGQW-GFCCVEGCSA-N	303.142	1.063	50	20	DDGD	
CCNC(=O)N1CC[C@H](NC(=O)[C@]2(C)C[C@H]2Br)C1	907000508	MUBDXXBNKQWBLE-YGOYTEALSA-N	318.215	1.080	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NC[C@@H]2CCCO2)cc1	837312955	GWORYZSTMAQIPZ-LBPRGKRZSA-N	308.338	1.210	50	20	DDGD	
CC[C@@H](C)[C@@H](C)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	495393727	UEHOJEQUKUEFOL-GHMZBOCLSA-N	315.414	1.731	50	20	DDGD	
O=[N+]([O-])c1ccc(-c2csc(N3CC[C@@H](B(O)O)C3)n2)cc1	585079115	SBKIBYWAALXNOA-SNVBAGLBSA-N	319.151	1.771	50	20	DDGD	
Cc1cc(C(=O)NNc2ncccn2)cc(C)c1OCC(=O)O	832864851	VHCMHKUJUPYKBV-UHFFFAOYSA-N	316.317	1.314	50	20	DDGD	
Cc1ccc(NNC(=O)NCCc2ccc(C(=O)O)cc2)nc1	738632531	GKSUASPFMNKNEA-UHFFFAOYSA-N	314.345	1.957	50	20	DDGD	
CC[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)c1csc(C)c1	585004046	WMZBJYJEXAYJNY-AWEZNQCLSA-N	321.182	1.757	50	20	DDGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)[C@H]1C[C@H]1C(=O)O	833179626	UAUNRKAUZXDERV-DTWKUNHWSA-N	304.224	1.749	50	20	DDGD	
N#Cc1cccc([C@H](NNC(=O)c2ccccc2F)C(=O)O)c1	833075090	HLMKVJRWHXSQTE-AWEZNQCLSA-N	313.288	1.758	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)OCCCN2CCCCC2)cn1	837970238	AJSHTHAAYFWQQL-GDNBJRDFSA-N	302.378	1.746	50	20	DDGD	
Cc1cc(C(=O)NCC(Cl)Cl)ccc1-n1cnnn1	837652098	XPUBHNVFJIURGK-UHFFFAOYSA-N	300.149	1.504	50	20	DDGD	
Cc1ccc(F)c(CCNC(=O)NNC(=O)[C@@H]2CCCCO2)c1	836619693	OYMYZOQLVBHVJT-AWEZNQCLSA-N	323.368	1.576	50	20	DDGD	
Cc1cnc([C@H](C)CNCc2ccc(B(O)O)cc2F)s1	585034342	ICTCVCUDGORDMZ-SECBINFHSA-N	308.187	1.164	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc(C(C)(C)C(=O)O)cc1	833466978	JEZKEHVHUVBLBK-UHFFFAOYSA-N	307.350	1.858	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C1=CC[C@H](C)CC1	836207946	LGEPWAWLHZNSRE-LBPRGKRZSA-N	318.373	1.968	50	20	DDGD	
CC(=NNC(=O)C(N)=O)c1cccc(OCc2ccccc2)c1	915936004	YQCRWULMBUTFQN-UHFFFAOYSA-N	311.341	1.591	50	20	DDGD	
CC(C)[C@H](C(=O)NN(C)C1CC1)N1Cc2ccccc2C1=O	911297670	XMHAMFUTHVRQAS-OAHLLOKOSA-N	301.390	1.792	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)N[C@@H](C)C[C@@H](C)N)c1	831197978	XMBLWFAJWVUUAF-OLZOCXBDSA-N	322.409	1.138	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)C(C)C)cc1C(F)(F)F	748689564	LXOKZWZREFKZDZ-UHFFFAOYSA-N	324.324	1.979	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=Cc1coc2ccccc12	746577371	TYZKPTCZHJZJEE-UHFFFAOYSA-N	312.285	1.327	50	20	DDGD	
CC1CCN(C[C@@H](C)C(=O)NN=C2CCN(C)[C@@H](C)C2)CC1	741453960	COYVGCJROQKZPD-CABCVRRESA-N	308.470	1.941	50	20	DDGD	
CO[C@@H](C=NNC(=O)COc1ccccc1F)[C@H]1CCOC1	841606544	IGANNHDEEHXTHZ-FZMZJTMJSA-N	310.325	1.358	50	20	DDGD	
CC(=NNC(=O)CC1CCCC1)c1cccc(S(N)(=O)=O)c1	749446637	GCJQEZVNXHYVKE-UHFFFAOYSA-N	323.418	1.755	50	20	DDGD	
NC[C@H](NC(=O)NNC(=O)c1ccccc1O)C1CCCCC1	841939741	KJRWERUPVCQQRF-ZDUSSCGKSA-N	320.393	1.244	50	20	DDGD	
CCCN1CC[C@@H](CNC(=O)NNC(=O)CC(F)(F)F)C1	919792738	ACYHNYQRZJGESO-VIFPVBQESA-N	310.320	1.001	50	20	DDGD	
O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	913731549	MOVMOPIRNJRXLK-MGPQQGTHSA-N	321.421	1.363	50	20	DDGD	
O=C(O)Nc1ccccc1C(=O)NNC(=O)Cc1ccccn1	740046727	XLSOAEKZNLQGKU-UHFFFAOYSA-N	314.301	1.175	50	20	DDGD	
CC[C@@H](C(=O)NNc1cccc(Br)n1)[C@H](C)O	842264661	BIBDLXPFQDJYHP-JGVFFNPUSA-N	302.172	1.694	50	20	DDGD	
Cc1[nH]c2ccccc2c1CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843640253	BELPVJWQRSBTLO-NEPJUHHUSA-N	315.373	1.591	50	20	DDGD	
COC1([C@@H](C)NC(=O)NNC(=O)c2cccc(C)n2)CCC1	840456064	IESKTVIVNODDNW-LLVKDONJSA-N	306.366	1.292	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSc1ccc2c(c1)CCO2	840211133	IJPAIUSNENFPMF-UHFFFAOYSA-N	308.403	1.907	50	20	DDGD	
CC/C=C(/C)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1	744550443	YUYKGHLNOOAQAO-WCIBSUBMSA-N	315.329	1.219	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H]2CC[C@H](CN)C2)c(F)c1	842009987	GVIUROWYSSFBHX-GXSJLCMTSA-N	324.356	1.366	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1cccc(C(=O)O)c1Cl	842549450	MKLDQRFQJWJZIJ-PSASIEDQSA-N	310.737	1.913	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)C(C)(C)Oc1cccc(Cl)c1	910166440	ACPAIKFCMJQKPA-SNVBAGLBSA-N	300.786	1.841	50	20	DDGD	
CCC(=NNC(=O)CNc1ccc(OC)cc1)c1cnn(C)c1	741805486	QTPNERUEWQQAJB-UHFFFAOYSA-N	315.377	1.771	50	20	DDGD	
CCO[C@@H](C)c1ncc(C(=O)NNC(=O)c2ccc[nH]2)s1	742488765	FRVVJJZPDPYDLK-QMMMGPOBSA-N	308.363	1.644	50	20	DDGD	
O=C(NNc1ccccn1)C1CCN([C@@H]2CCSC2)CC1	847668623	UAKFDJFDGQGIRM-CYBMUJFWSA-N	306.435	1.742	50	20	DDGD	
CC(C)(C)Sc1c(F)cc(NC(=O)C(=O)NN)cc1F	841199094	AYMVQHKYQHFPIX-UHFFFAOYSA-N	303.334	1.784	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NN(C)C[C@@H](C)O)n[nH]2)cc1C	910160854	OXNULBCTLUOPAM-GFCCVEGCSA-N	302.378	1.651	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1=Cc2cc(F)ccc2OC1	843662240	QAEVJOWJBKESBB-TVQRCGJNSA-N	320.320	1.174	50	20	DDGD	
CN1CCNC[C@@H]1C(=O)NN(c1ccccc1)c1ccccc1	911925861	JLIGWMFTRPUSFZ-QGZVFWFLSA-N	310.401	1.760	50	20	DDGD	
COc1ccc(-c2n[nH]cc2C(=O)NNC(=O)N(C)C)cc1	742595543	LKPXETWXVVVJFW-UHFFFAOYSA-N	303.322	1.001	50	20	DDGD	
NC[C@@H]1CC[C@@H](NC(=O)NNC(=O)c2cc3c(s2)CCC3)C1	842010582	MZJFBLIFYXXGQO-MWLCHTKSSA-N	322.434	1.308	50	20	DDGD	
CCCO[C@H]1CCCN(CC(=O)NNC(=O)C(C)(C)C)CC1	744398349	OYDYCRWNYXIKFB-ZDUSSCGKSA-N	313.442	1.461	50	20	DDGD	
CC1=C(C(=O)NNc2cccc([N+](=O)[O-])c2C)C(=O)OC1(C)C	748686759	WSNXHMOVZIUVEB-UHFFFAOYSA-N	319.317	1.998	50	20	DDGD	
CO[C@](C)(C1CC1)[C@H](C)NC(=O)NNC(=O)Cc1cccnc1	840419629	XPWRZFRMBPQSAM-ZBEGNZNMSA-N	320.393	1.158	50	20	DDGD	
Cc1cc(C)c2c(c1)OCCC2=NNC(=O)C(=O)NC1CC1	920373246	WDCXAJFHEGOESE-UHFFFAOYSA-N	301.346	1.185	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C1CC(C)(C)Cc2nc(N)sc21	842560504	MGANGRAQTXYILA-IUCAKERBSA-N	322.434	1.943	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1cccc(Cl)c1	750943266	GZZUHFCLCLYEGS-UHFFFAOYSA-N	305.721	1.813	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1ncoc1-c1ccccc1	755288731	KUMSOZPARBUJRP-UHFFFAOYSA-N	311.301	1.068	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N[C@@H]1C[C@]1(C)OC)c1ccccc1	852686847	ARHRRXDRQXQHGT-IOASZLSFSA-N	305.378	1.688	50	20	DDGD	
CC1(CCNC(=O)NNc2ccc(F)c(F)c2)OCCO1	921961132	NIXKOSMCGPCGFM-UHFFFAOYSA-N	301.293	1.744	50	20	DDGD	
COc1cc(CC(=O)NNc2ncc(F)cc2F)ccc1O	857533575	DXTYZVNNRSGJQH-UHFFFAOYSA-N	309.272	1.760	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2ncc(Cl)cn2)c2nccn21	856912713	QLAIWHUDEWUGBR-IONNQARKSA-N	307.745	1.659	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cc([N+](=O)[O-])cnc2N)n1	758276322	BDLJCFPTFKBPNL-UHFFFAOYSA-N	323.700	1.081	50	20	DDGD	
CC(C)=C(C)C(=O)NNC(=O)c1nnc(O)c2ccccc12	751296875	DKXSWHWUDMALIM-UHFFFAOYSA-N	300.318	1.453	50	20	DDGD	
Cc1noc(C(F)F)c1C(=O)NNC(=O)CC(F)(F)F	855000985	RMFXSDIFKJIDHH-UHFFFAOYSA-N	301.171	1.634	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1ccc2c(c1)CCO2	750936237	GUUIEHNRUCOXHX-UHFFFAOYSA-N	313.313	1.095	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)CCOC1	754007153	IOLYLXHFMLVSNH-JPVQUXCTSA-N	306.406	1.777	50	20	DDGD	
N#CCc1ccc(C(=O)NNc2cc(Cl)nc(N)n2)cc1	753449667	JHEPALKRVGZMEG-UHFFFAOYSA-N	302.725	1.535	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)c1csc(N)n1	750948798	WQCPSRMGGFUYRW-UHFFFAOYSA-N	323.403	1.057	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1nc2c(s1)CCCC2	929240300	VOBVSUVDWDOWPU-UHFFFAOYSA-N	306.391	1.978	50	20	DDGD	
O=C(NN=CC1CCOCC1)c1csc(N2CCOCC2)n1	755562175	HIUUWUFFQBMISE-UHFFFAOYSA-N	324.406	1.122	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C(C)c1nccn1C	755510430	HKHGPVQRDDOIHA-UHFFFAOYSA-N	316.361	1.738	50	20	DDGD	
Cn1cc([C@H](CO)NC[C@H](CBr)C2CC2)cn1	859249506	DLGLVUXZTJWAFM-JQWIXIFHSA-N	302.216	1.464	50	20	DDGD	
COCC(=NNC(=O)CSc1nc(C)cc(C)n1)C1CC1	754256202	UZRQDELVPUNIBW-UHFFFAOYSA-N	308.407	1.714	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cccc(Cl)c2)n1	752268448	KVYNZPPTSWMBCQ-UHFFFAOYSA-N	305.721	1.818	50	20	DDGD	
O=C1COc2ccc(C=NNC(=O)OCC(F)(F)F)cc2N1	853429572	MPLDHYKDDAMCFA-UHFFFAOYSA-N	317.223	1.640	50	20	DDGD	
C[C@H]1COC[C@H]1NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	925989998	DBCZIBRBISSJMC-SMDDNHRTSA-N	319.405	1.963	50	20	DDGD	
C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NNc1ccc(Cl)nc1	757796822	UMZIAMOQKSGGDW-JOYOIKCWSA-N	309.801	1.844	50	20	DDGD	
O=C(NNC(=O)[C@H]1SCCc2sccc21)c1cc[nH]n1	855357684	PBKHYVRRPBTEJJ-JTQLQIEISA-N	308.388	1.263	50	20	DDGD	
COc1cccc([C@@H](O)C(=O)NNc2cc(Cl)nc(C)n2)c1	857541217	MPPLTIADPZCFCV-CYBMUJFWSA-N	322.752	1.624	50	20	DDGD	
COc1ccc(C2(C(=O)NNC(=O)C3CC3)CCC2)cc1OC	754347331	LBWGMCCXMQMVHX-UHFFFAOYSA-N	318.373	1.683	50	20	DDGD	
Cc1c(C(=O)OC[C@H](CBr)C2CC2)nnn1C	859569623	ZKSGCNRUDGWINH-VIFPVBQESA-N	302.172	1.701	50	20	DDGD	
COCCOc1ccccc1C=NNC(=O)c1c[nH]nc1C	751528757	KSLRGTKJYMOCHW-UHFFFAOYSA-N	302.334	1.507	50	20	DDGD	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NN=C[C@H]2C[C@H]2C)cc1	758367591	NLNCLTNONUXKKE-CHWSQXEVSA-N	323.418	1.374	50	20	DDGD	
COC[C@]1(C)NC(=O)N(C[C@@]2(C)C[C@@H]2Br)C1=O	857227139	GULRORHPORZYIN-XROYCOCOSA-N	305.172	1.117	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@@H]1C1CCCCC1)c1cn[nH]c1	858704990	ZMMQWGZIHYZXPA-CYBMUJFWSA-N	305.382	1.809	50	20	DDGD	
CC[C@H](C(=O)NN=C(C)CN1C(=O)CCC1=O)c1ccccc1	754943816	IYLQGMSDCZTFTP-AWEZNQCLSA-N	315.373	1.821	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cnnc(O)c1	854196323	VPMMYJYVWFWTMG-UHFFFAOYSA-N	316.361	1.160	50	20	DDGD	
C=CCN1CC[C@H](N(C)S(=O)(=O)CC(C)(C)CCl)C1=O	867225051	JJWMQBPGFKRHBW-NSHDSACASA-N	322.858	1.300	50	20	DDGD	
Cc1ccc(C(=O)NN=c2cc[nH]cc2)cc1N1CCOCC1	867283999	BUVNKURPHRWHGF-UHFFFAOYSA-N	312.373	1.405	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc2c(c1)C[C@H](OC)C2	930797739	TUKFKSLZOLJUBP-OAHLLOKOSA-N	315.373	1.756	50	20	DDGD	
COc1ccnc(NNC(=O)Cc2cccc(OCC#N)c2)n1	760336167	SJGJIPDEWNQADT-UHFFFAOYSA-N	313.317	1.073	50	20	DDGD	
Cn1ccc2ccc(C(=O)NNC(=O)[C@H]3CCCCO3)cc21	868619032	FQJQKVGNLNFJBB-CQSZACIVSA-N	301.346	1.508	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@H]1CCN(CC(F)F)C1	867415564	GVZOGEARAMZGNJ-VIFPVBQESA-N	318.817	1.510	50	20	DDGD	
C[C@H](NNC(=O)CNC(=O)c1cccc(F)c1)C(F)(F)F	862304603	QKKSAOJFYYODNA-ZETCQYMHSA-N	307.247	1.127	50	20	DDGD	
COC[C@H](C)n1ccc(NC(=O)NN=c2cc[nH]c(C)c2)n1	860981394	IWTIMLUBKUODEF-NSHDSACASA-N	304.354	1.364	50	20	DDGD	
CC[C@@H](C(=O)NNc1cccc(C)n1)N1CCO[C@H](CC)C1	862520383	WAJIDHSTQZRUEI-KGLIPLIRSA-N	306.410	1.723	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N(CCO)C1CCOCC1	867152830	RHXHZHRSFMJPEL-UHFFFAOYSA-N	313.847	1.055	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1nc2c(s1)CCCC2	761261804	QQAWFFWUZZZYHI-UHFFFAOYSA-N	320.418	1.485	50	20	DDGD	
Cc1c[nH]cc1C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1	768263275	PCUJQUPVIWIQIU-UHFFFAOYSA-N	315.358	1.850	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H]2C[C@H]2c2sccc2C)n[nH]1	869014812	KYJKAFBIVURNFI-NEPJUHHUSA-N	318.402	1.582	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1	866903583	KMPRYEBZOYYDMY-SNVBAGLBSA-N	324.874	1.570	50	20	DDGD	
OB(O)c1ccc(CNc2cc(F)ccc2OC(F)F)cc1	864030690	OVBOQMHOLFMGHT-UHFFFAOYSA-N	311.068	1.719	50	20	DDGD	
CCC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	861435737	ROHVZHQFNYSAEY-GWCFXTLKSA-N	319.361	1.857	50	20	DDGD	
O=S(=O)(NC[C@H]1COCO1)c1ccc(CCCl)cc1	867398421	WUWPFHAPGHGYLQ-NSHDSACASA-N	305.783	1.119	50	20	DDGD	
O=C(C[C@@H]1C=CS(=O)(=O)C1)NNc1ccc(F)c(Cl)c1	863078917	PLZHGDUDRXWKNZ-QMMMGPOBSA-N	318.757	1.871	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccnc(Cl)c2F)n1	764326711	PDSBOPINNSJRCY-UHFFFAOYSA-N	310.720	1.487	50	20	DDGD	
COc1ccc2c(c1)OC[C@H](C(=O)NN[C@@H](C)C(F)(F)F)C2	862310119	YYYYHVMBPMMKPI-WCBMZHEXSA-N	318.295	1.818	50	20	DDGD	
COc1cccc([C@@H](OC)C(=O)NN[C@@H](C)C(F)(F)F)c1	862321543	BADOTUPBRKSSCR-GZMMTYOYSA-N	306.284	1.954	50	20	DDGD	
Cn1ccnc1[C@H]1CCCN(C(=O)NNC(=O)C2CCCC2)C1	767872922	BHUXXQPKKOHNNN-ZDUSSCGKSA-N	319.409	1.531	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N[C@H]2CCC(F)(F)C2)c1	763607926	JGPIHANXCGCNJF-NSHDSACASA-N	308.288	1.690	50	20	DDGD	
N#C[C@@H](CCc1ccccc1)C(=O)NNC(=O)[C@H]1CCCCO1	1117821493	VZFWILSSRAHFFB-HUUCEWRRSA-N	315.373	1.475	50	20	DDGD	
Cc1ccc(O)c2c1[C@@H](C)CC2=NNC(=O)C(=O)NC1CC1	1115821610	UOLKSCQEVCFFGM-VIFPVBQESA-N	301.346	1.307	50	20	DDGD	
COC(=O)N(C)NC(=O)NC1CCN(c2ccccc2)CC1	875141228	PRJWRMVTYHNBNV-UHFFFAOYSA-N	306.366	1.568	50	20	DDGD	
O=C(NCCc1cnccn1)NNc1ccc(OC(F)F)cc1	775456239	ZOYSAURYEJNECE-UHFFFAOYSA-N	323.303	1.947	50	20	DDGD	
COc1nccnc1NNC(=O)c1c[nH]c(Br)c1	1116625017	SFTLNFQFXDYFIT-UHFFFAOYSA-N	312.127	1.333	50	20	DDGD	
O=C(/C=C\[C@H]1CCOC1)NNC(=O)c1nc2ccccc2s1	874914435	WXIIVUUGLBTZQA-OMMCCPJFSA-N	317.370	1.650	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1cnc2ccsc2c1	779817585	SKYBJZFGQGTBMF-UHFFFAOYSA-N	306.347	1.493	50	20	DDGD	
C[C@@H](c1ccccn1)N(C)CC(=O)NNC(=O)c1cccs1	777712857	FJEDNFNHZLCTOR-NSHDSACASA-N	318.402	1.597	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)n2ccc(C(F)(F)F)n2)ncn1	878856776	NWADJDHEYBNMEY-MRVPVSSYSA-N	314.271	1.705	50	20	DDGD	
Cc1ccc2c(c1)S[C@H](C(=O)NNC(=O)c1c[nH]nc1C)C2	1116085368	LXJZQQGASBVJQQ-ZDUSSCGKSA-N	316.386	1.505	50	20	DDGD	
CCS(=O)(=O)C[C@H](C)NC(=O)c1cccc(CCl)c1	1357913698	LDSCHYJCBNAAQT-JTQLQIEISA-N	303.811	1.978	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)COc2ccccc2O)cc1	871595425	CFNKBEMWBGYNQU-UHFFFAOYSA-N	316.313	1.241	50	20	DDGD	
COC(=O)N1CC(C)(NC(=O)[C@@]2(C)C[C@H]2Br)C1	1120693893	PHVGBZQAEPBFGG-HQJQHLMTSA-N	305.172	1.117	50	20	DDGD	
CCC(=O)c1ccc(C(=O)NNC(=O)C2CCOCC2)cc1	883066368	UDWSMPIUJLIQLW-UHFFFAOYSA-N	304.346	1.467	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CCOC1CCOCC1	772842977	BSMRJIPJMFWFFQ-UHFFFAOYSA-N	308.382	1.629	50	20	DDGD	
O=C(NCCCCc1ccccc1)NNC(=O)c1cccnn1	883087836	KJAIGDOYFHYFDE-UHFFFAOYSA-N	313.361	1.444	50	20	DDGD	
COCCc1nc(C)c(C(C)=NNC(=O)c2cnccn2)s1	770597063	UUOJXXODEFODJE-UHFFFAOYSA-N	319.390	1.584	50	20	DDGD	
Cn1nnc2cc(C(=O)NNc3ncncc3Cl)ccc21	781830340	OIPADELVXWPFPO-UHFFFAOYSA-N	303.713	1.169	50	20	DDGD	
Cc1cc2c(cc1C)[C@@H](C(=O)NNC(=O)c1cccnn1)CO2	882056966	JMJGPAPKOGYHBO-LBPRGKRZSA-N	312.329	1.031	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1cnc(OC)c(Cl)c1	789000697	ORTVMHWDBRNJFX-UHFFFAOYSA-N	314.773	1.803	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cnn(-c2ccc(C)cc2C)c1	786201013	GQAOBZWULITGNR-UHFFFAOYSA-N	317.349	1.288	50	20	DDGD	
COC(=O)c1cccc(CCNS(=O)(=O)CCCCl)c1	882034757	YQMUZRBVUZDBRJ-UHFFFAOYSA-N	319.810	1.564	50	20	DDGD	
CCn1cc(CC(=O)NNC(=O)c2cc3c(s2)CCC3)cn1	780171669	OICNWOMHEZUAAQ-UHFFFAOYSA-N	318.402	1.457	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cccc(C)c2C#N)ncn1	783947888	DXXMJODCINMCLC-UHFFFAOYSA-N	310.317	1.047	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCC(=O)c1ccc(Cl)cc1	781064217	XALPWZXCXJEPQP-UHFFFAOYSA-N	311.769	1.995	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@@H]1Cc2cc(F)ccc2O1	781825078	ZCWQUAYYHMTYOT-NSHDSACASA-N	308.700	1.716	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C/c1cccc(O[C@@H](C)C(=O)O)c1	786044067	FNYMNFWWATXNKM-XNFYSYIQSA-N	309.343	1.838	50	20	DDGD	
CN(NC(=O)C(=O)Nc1ccc2nccnc2c1)c1ccccc1	783432322	TYRFMQBXHCDHOE-UHFFFAOYSA-N	321.340	1.736	50	20	DDGD	
CO[C@@]1(C)C[C@@H](NC(=O)NNc2ncncc2Cl)C1(C)C	780998464	LEJGFARTFNHDNC-RNCFNFMXSA-N	313.789	1.960	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)ccn1	789869546	PSOUIARNWOGLFB-UHFFFAOYSA-N	321.340	1.855	50	20	DDGD	
COc1cc(C)cc(C(=O)NNc2ncncc2Cl)c1O	781819135	ZFIGCWJCMLFEAF-UHFFFAOYSA-N	308.725	1.910	50	20	DDGD	
CCn1cc(CC(=O)NNc2nc(-c3cccnc3)no2)cn1	780650617	HMCOWKFJYKLALC-UHFFFAOYSA-N	313.321	1.034	50	20	DDGD	
CC(CS(=O)(=O)c1ccc(C)cc1)=NNC(=O)C(C)(C)O	785458329	WKZVORWRBGWRTM-UHFFFAOYSA-N	312.391	1.032	50	20	DDGD	
CSC1(C(=O)NNC(=O)c2ccc(Cl)cc2O)CC1	789901366	ILQYESLBSUZKBS-UHFFFAOYSA-N	300.767	1.702	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@H]1CCc2ccccc2O1	899998337	KERSCWDAFFZUCL-GFCCVEGCSA-N	307.419	1.674	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1ccnn1CC(F)F	790022966	ARXZEDZUOFHJPP-UHFFFAOYSA-N	318.287	1.848	50	20	DDGD	
COc1ccc(CCCC(=O)NNC(=O)CC2CC2)cc1OC	897861496	ZTHHGHSTCSAXKD-UHFFFAOYSA-N	320.389	1.974	50	20	DDGD	
NC(=O)c1cccc(CNS(=O)(=O)CCCCCl)c1	163448962	XDQMVFIDTLNFCN-UHFFFAOYSA-N	304.799	1.224	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](Cc1ccccc1)C(C)C	890397971	KBLOHZXQGCFGAY-CQSZACIVSA-N	307.394	1.621	50	20	DDGD	
Cc1cc(CC(=O)NN=C2CCOc3cc(F)ccc32)n[nH]1	794886195	FNMZESOOMBVUHX-UHFFFAOYSA-N	302.309	1.703	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)CO)c(OC(C)C)c1	792418257	KQTMEFWTHWTYPZ-UHFFFAOYSA-N	310.350	1.016	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2c(O)ccc3ccccc23)CC1	790178893	NAMATNZHAGLYCL-UHFFFAOYSA-N	312.373	1.836	50	20	DDGD	
C[C@@H]1C[C@H]2CC[C@@H](C(=O)NNC(=O)Cc3ccsc3)CN2C1	1146686021	WPWBXRUJFDQTLZ-MRVWCRGKSA-N	321.446	1.558	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41	795078671	RHEGGVBHBFZBAL-NYNCCYJMSA-N	302.418	1.964	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN[C@H]2CSC[C@H]2C)cc1	796401548	DWSFYXLQTWOALR-YPMHNXCESA-N	307.419	1.097	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ncccc2[N+](=O)[O-])o1	1319494045	NDGYLKGUPXUCDU-UHFFFAOYSA-N	306.234	1.126	50	20	DDGD	
Cc1noc(C)c1CCC(=O)NNC(=O)Cc1cccnc1	1318264830	HNQFNLRMWMFFQV-UHFFFAOYSA-N	302.334	1.009	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C(C)(C)C2CCOCC2)cc1	1321087997	COEAAMXOMJIPJX-UHFFFAOYSA-N	320.389	1.909	50	20	DDGD	
Cc1ccc(O)c2c1[C@H](C)CC2=NNC(=O)N1CCN(C)CC1	1321017107	HZKRZBXFYMAASF-GFCCVEGCSA-N	316.405	1.869	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1O)c1ccnc(C)n1	1324207932	UNKYGXGPIHAADN-UHFFFAOYSA-N	300.318	1.410	50	20	DDGD	
Cc1csc(CCCNS(=O)(=O)CBr)n1	1322799062	XNVJXNXECHKVOQ-UHFFFAOYSA-N	313.242	1.656	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)COCc1ccncc1	1324768206	QVDGBARRSAQZQP-UHFFFAOYSA-N	316.317	1.958	50	20	DDGD	
C[C@@]1(CNC(=O)N[C@H]2CC[C@H](CN)CC2)C[C@H]1Br	1333600837	NFELHJFPUYVYRH-UZWSLXQKSA-N	318.259	1.977	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@@H]2CSCCS2)c1Cl	1253123824	MEQBYMDBDYSTMR-LURJTMIESA-N	305.816	1.004	50	20	DDGD	
O=C(NCCC1CC1)NNC(=O)c1cncn1-c1ccccc1	1330235633	GQAOTCAARJDIPD-UHFFFAOYSA-N	313.361	1.616	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2C[C@H]2C2CCNCC2)C[C@H]1Br	1331052155	ZZBDLGCNEPXCPM-FMCLSXCISA-N	315.255	1.912	50	20	DDGD	
CC(=NNC(=O)C1CCOCC1)c1cccc(N2CCC2=O)c1	1331993285	BBKDPCJMWNXPPT-UHFFFAOYSA-N	315.373	1.690	50	20	DDGD	
CCn1cc(Br)cc1C(=O)NNc1ccn(C)n1	1348607208	FXOABVVIKKWSTM-UHFFFAOYSA-N	312.171	1.761	50	20	DDGD	
C[C@]1(C(=O)N2CCc3c(O)ncnc3C2)C[C@@H]1Br	1350718227	XDLOURUTGPBQDY-CABZTGNLSA-N	312.167	1.240	50	20	DDGD	
COCCN(C)NC(=O)c1cnn2c(C(F)F)cc(C)nc12	1520166500	VCOKCGISTVHPQU-UHFFFAOYSA-N	313.308	1.198	50	20	DDGD	
Cc1c(NNC(=O)C23CC(C(=O)O)(C2)C3)cccc1[N+](=O)[O-]	1607550821	PSHSDSAFHQCGPE-UHFFFAOYSA-N	305.290	1.601	50	20	DDGD	
O=C(NN=Cc1cc(C(=O)O)c2n1CCCC2)c1cnccn1	1601553181	WQBGZULZXZLRFO-UHFFFAOYSA-N	313.317	1.077	50	20	DDGD	
Cc1cnc(COCC(=O)NNc2ccc(CC(=O)O)cc2)o1	1607908188	GHHFJBCRQSSOHY-UHFFFAOYSA-N	319.317	1.270	50	20	DDGD	
N#Cc1cccc(C(=O)NNc2ccc(F)c(C(=O)O)c2)n1	1608214859	HSWNDDAJYBUPLP-UHFFFAOYSA-N	300.249	1.547	50	20	DDGD	
N#CSCCCNS(=O)(=O)c1cccc(C(=O)O)c1	1601079207	HKEPNOZYKZJQQH-UHFFFAOYSA-N	300.361	1.267	50	20	DDGD	
O=C(NC[C@@H]1CCCCCN1)NNc1ccc(C(=O)O)c(F)c1	1601487237	ZHYRVXSFYFXZOQ-NSHDSACASA-N	324.356	1.682	50	20	DDGD	
C=C(CBr)COC(=O)c1ncccc1C(=O)O	1602712106	GUHAPOTVOIIBIQ-UHFFFAOYSA-N	300.108	1.888	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2snc(O)c2Cl)nc1	1602384066	CZPMATFMJJDOIV-UHFFFAOYSA-N	314.710	1.352	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)Nc1cccc(C(=O)O)c1	1610533898	NRCLKFOBFCUEBC-UHFFFAOYSA-N	314.301	1.555	50	20	DDGD	
O=C(NN=Cc1ccc(C(F)F)cc1)[C@@H]1CN2CCC[C@H]2CO1	1549321601	TYDKIWPBHNAFLS-KBPBESRZSA-N	323.343	1.938	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)[C@@H]1CC[C@@H]2C[C@H](C)CN2C1	1548642477	OQPUVHYTUXODPY-MVWJERBFSA-N	322.434	1.333	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCC2(C(=O)O)CC2)cc1	1610041082	QBBVOQDDAHGSOV-LCYFTJDESA-N	314.341	1.973	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C(=O)NN=C1CC[C@@H]2C[C@@H]12	1549905023	PFIAPSXSAZDZEC-GFQSEFKGSA-N	302.378	1.790	50	20	DDGD	
Cc1cc(C(=O)O)ccc1NC(=O)NNC(=O)c1cccn1C	1610441001	ATDJMVVKSPFKTL-UHFFFAOYSA-N	316.317	1.498	50	20	DDGD	
Cc1cc(=NNC(=O)NCC[C@@H](N)Cc2ccccc2)cc[nH]1	1579637938	JONCAEFZGBBCFK-OAHLLOKOSA-N	313.405	1.398	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)C1CCNCC1	1580735995	KQYIQHUATNJQSI-UONOGXRCSA-N	321.808	1.591	50	20	DDGD	
N#CCCCC[C@@H](N)C(=O)NNc1cc(F)c(F)cc1F	1580050945	SXJHNQQZLNDQKD-LLVKDONJSA-N	300.284	1.958	50	20	DDGD	
C=CC[C@H](NNC(=O)CN1CCCc2ccccc21)C(=O)O	1588749055	DOJUVDSPTJLNFV-ZDUSSCGKSA-N	303.362	1.089	50	20	DDGD	
CC[C@H](C)CC(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1	1841347984	HBMRDVNCIGYCCT-RYUDHWBXSA-N	316.829	1.226	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@H]1CCCOCC1	1599376412	SMVSYFSQGJTFPL-SNVBAGLBSA-N	308.334	1.653	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ncc2ccccn12	1593165479	LVLVVXRHUVOWCK-UHFFFAOYSA-N	320.316	1.271	50	20	DDGD	
COc1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1C	1591573116	NAOUHNBYGNYRLV-UHFFFAOYSA-N	324.344	1.941	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@H]1Cc2ccc(F)cc21	1595262150	SBOWNDZGDPAQBI-LBPRGKRZSA-N	301.277	1.702	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)O	1596861136	CUDNGPFZRKQWJK-FUWURINLSA-N	306.293	1.382	50	20	DDGD	
N#C/C(=C\c1csc(-c2nn[nH]n2)c1)C(=O)N1CCCC1	1592662244	JLCBBBJYPKIQHN-BJMVGYQFSA-N	300.347	1.458	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc(C(=O)O)c1F)[C@@H]1CCCNC1	1593101861	LXSYRWZAMGIHKU-NXEZZACHSA-N	324.356	1.538	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C/c1cccn2c(C(=O)O)cnc12	1776946218	XGQNDQPGFHNTEU-UXBLZVDNSA-N	305.315	1.332	50	20	DDGD	
CCCC(=O)NN=Cc1ccc(OCC(=O)O)c(OCC)c1	1776107323	UURANACLHFFVGO-UHFFFAOYSA-N	308.334	1.799	50	20	DDGD	
CC(=NNC(=O)c1ccc(C(=O)O)cc1)c1cn(C)nc1C	1776099654	RYXGEBVTQJCYGP-UHFFFAOYSA-N	300.318	1.581	50	20	DDGD	
CCC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC#N	1795459314	DFISRIBVIUXJDK-RNJOBUHISA-N	311.813	1.946	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccccc2O)cc1F	17575138	UUMGYCUCSVCBKN-UHFFFAOYSA-N	304.277	1.615	50	20	DDGD	
O=C(NNc1ncccn1)[C@H](O)c1cc(Cl)cc(Cl)c1	158161718	VFVIIDNALIANKS-SNVBAGLBSA-N	313.144	1.960	50	20	DDGD	
CC(C)Oc1cccc(C(=O)NNC(=O)c2cccn2C)n1	168769045	GJFZIKRRURHBGD-UHFFFAOYSA-N	302.334	1.282	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc3ccc(Cl)cc3[nH]2)[nH]n1	151173121	USWPOXIPTBBUCZ-UHFFFAOYSA-N	317.736	1.928	50	20	DDGD	
CSc1ccc(C)c(C(=O)NNC(=O)c2cc(C)n[nH]2)c1	153222866	GXJYYPKBFRVLTP-UHFFFAOYSA-N	304.375	1.823	50	20	DDGD	
CCCN1CCC(NC(=O)NNc2ccc(OC)cn2)CC1	156568269	PWCXUGGHDVLVCC-UHFFFAOYSA-N	307.398	1.591	50	20	DDGD	
O=C(Cn1cc([N+](=O)[O-])ccc1=O)NNc1cccc(F)c1	154534207	VQBLUTZDJKJCPR-UHFFFAOYSA-N	306.253	1.039	50	20	DDGD	
CC[C@@H](OC1CCCCC1)C(=O)NNC(=O)c1cccn1C	159295437	IFJCHNONAJRKEJ-CQSZACIVSA-N	307.394	1.914	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NNc1ncccn1	110049609	SMRMXGXEKMJVPX-RYUDHWBXSA-N	320.397	1.140	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCCO1)C(=O)NNc1ccc(Cl)nn1	118504163	BXPFNFTZVPXDNN-ZJUUUORDSA-N	314.773	1.547	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NC[C@@H](c1cccc(OC)c1)N(C)C	28805483	RUZGXORQEVPPOG-UKYUDJEDSA-N	317.389	1.858	50	20	DDGD	
Cc1nc(CC(=O)NNC(=O)c2cccc(N(C)C)c2)cs1	28663683	MRWTUCWQLMZEMO-UHFFFAOYSA-N	318.402	1.521	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2c(C)ccn(C)c2=O)n1	179900423	DNSXRRBWNLUGDG-UHFFFAOYSA-N	302.338	1.249	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1ccccc1F	26971607	BRMKEKSGTLHWSX-UHFFFAOYSA-N	302.305	1.925	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@]12CCc1ccccc12)c1cccnc1	174975857	VGUJKXHKNYHCKG-MAUKXSAKSA-N	307.353	1.747	50	20	DDGD	
COc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)NC2CCCC2)c1	65919058	WIRYUXNKFLELHL-UHFFFAOYSA-N	322.321	1.490	50	20	DDGD	
CC(=O)c1cccc(O[C@H](C)C(=O)NNc2cc(C)ncn2)c1	172274039	RCIWTZHROCNQIE-GFCCVEGCSA-N	314.345	1.898	50	20	DDGD	
O=C(NNc1ccccc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	111553084	TZJRWKVCUCCXDO-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)c2c[nH]c3ccccc23)[nH]n1	29922513	ZSKZMSOYYGSPMD-UHFFFAOYSA-N	311.345	1.918	50	20	DDGD	
COc1cccc([C@H](CNS(=O)(=O)CCl)N(C)C)c1	111000275	MRXPNASZMOIISE-LBPRGKRZSA-N	306.815	1.414	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)CCN2CCCS2(=O)=O)c1	177368879	PBGWLHNBCPEMAF-UHFFFAOYSA-N	315.370	1.003	50	20	DDGD	
CC(C)(C)c1ncsc1C(=O)NNc1ncnc2nc[nH]c12	177416042	KIWHEOYQMHQFHD-UHFFFAOYSA-N	317.378	1.864	50	20	DDGD	
CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)N(C)C)cc1F	173318577	SOEHUFHLEFBYLT-UHFFFAOYSA-N	324.356	1.726	50	20	DDGD	
O=C(CNC(=O)c1cccc(F)c1)NNc1c(F)cccc1F	118514978	UKTLXNGLIGASIL-UHFFFAOYSA-N	323.274	1.977	50	20	DDGD	
Cc1cc(C)c(C)c(S(=O)(=O)NNC(=O)NC(C)C)c1C	62930874	RGFCKIITQIXSKL-UHFFFAOYSA-N	313.423	1.821	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cc(F)ccc2F)n1	22638905	JXABSWSVHYVSCK-UHFFFAOYSA-N	308.288	1.239	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCCC(=O)OC(C)(C)C	1349432129	DZCZJLSHFSWTFE-MNOVXSKESA-N	314.382	1.071	50	20	DDGD	
CCCN1CC[C@@H](CNC(=O)NNc2nc(C)cc(OC)n2)C1	175368529	MVRWXSDTUGPLOR-LBPRGKRZSA-N	322.413	1.152	50	20	DDGD	
O=C(NNC(=O)C1(O)CCCCC1)c1ccc2ccccc2n1	175956913	FCEKZXSQFFLVPS-UHFFFAOYSA-N	313.357	1.691	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCN2CCC[C@H](C)C2)n1	175278466	GMFDBDXHGIWKDB-NSHDSACASA-N	322.413	1.152	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1c(C)cc(C)cc1C	64375628	CVNNGSDENKAAFF-UHFFFAOYSA-N	313.423	1.904	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1ccnc(F)c1	123807658	HTQOTVCTLNQDNM-UHFFFAOYSA-N	301.203	1.786	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)C(=O)Nc1ccsc1	128644102	DXAGGIURXBPNSH-UHFFFAOYSA-N	321.333	1.216	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NCC(F)F)cc1	73149550	POPMIWRGTCGWJJ-UHFFFAOYSA-N	301.293	1.223	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccncc2)cc1F	184069252	HWILIWUILARSLU-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
CC(C)(C)CCCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1	121246214	AUBISHQBMCKMBN-CYBMUJFWSA-N	305.444	1.194	50	20	DDGD	
Cc1ccc(NC(=O)NNc2cccc(S(C)(=O)=O)c2)nc1	184322399	LCDSUDDBHVMXEI-UHFFFAOYSA-N	320.374	1.942	50	20	DDGD	
NS(=O)(=O)c1cccc(NC(=O)NNc2ccc(F)cc2)c1	75801334	VUNIRJCVUVFLOX-UHFFFAOYSA-N	324.337	1.622	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)Nc1ccon1	183552415	XAZHTAUHMGOQAN-UHFFFAOYSA-N	312.289	1.531	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)C(=O)Nc1ccccc1F	125901183	UBEHICIMHYJMIS-UHFFFAOYSA-N	307.325	1.492	50	20	DDGD	
CC[C@H](C)[C@@H](C)C(=O)NNC(=O)Cc1nc2ccccc2n1C	183343021	LPIGDHUUDFXYDA-NWDGAFQWSA-N	316.405	1.945	50	20	DDGD	
O=C(COc1cccc([N+](=O)[O-])c1)NNc1ccnc(F)c1	182416270	WYHLSPDNXXCSHW-UHFFFAOYSA-N	306.253	1.651	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCc1ccncc1C	186633527	IYKNPKXFWPSKEL-UHFFFAOYSA-N	314.345	1.543	50	20	DDGD	
COc1nccnc1NNC(=O)c1[nH]c(C)c(C(C)=O)c1C	132005701	ACXFVVKSJXTLFK-UHFFFAOYSA-N	303.322	1.390	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CC2CCSCC2)cc1	135434232	BFZSYNKVXMDPTC-UHFFFAOYSA-N	303.387	1.853	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2)no1)c1ccncc1	192478302	NTRCHEVWGAJYTN-UHFFFAOYSA-N	308.297	1.811	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCC1CCOCC1	194807240	ASABVURTQGYHTI-UHFFFAOYSA-N	309.341	1.125	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2cc(C)ccn2)c(C)c1	190049422	WVWKBKKQEZBPIR-UHFFFAOYSA-N	314.345	1.789	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CC[C@@H](C(N)=O)C2)cc1	194561450	OWWXZKJBTGRAHZ-OZYJXZHSSA-N	313.357	1.326	50	20	DDGD	
CC(C)CCn1cc(C(=O)NNC(=S)NC(C)(C)C)nn1	132032392	XXTAQHGQRULNFA-UHFFFAOYSA-N	312.443	1.232	50	20	DDGD	
Cc1cccc(S(=O)(=O)NNC(=O)CCC(C)C)c1C#N	137435377	NDBAHPPMQWBTGW-UHFFFAOYSA-N	309.391	1.612	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C	43934961	VQRHTOOLYWJFLE-LLVKDONJSA-N	321.377	1.669	50	20	DDGD	
O=C(CCc1cccc(F)c1F)NNC(=O)Cc1ccncc1	81027142	QHVSYQPNJZOXAE-UHFFFAOYSA-N	319.311	1.683	50	20	DDGD	
O=C(NNC(=O)c1csc2ccccc12)C(=O)N1CCCC1	194790884	OPRNDGDNQZESPU-UHFFFAOYSA-N	317.370	1.285	50	20	DDGD	
COc1cc(C=NNC(=O)c2cccnc2)ccc1OCC#N	254513774	JGDASGKFNDUTIJ-UHFFFAOYSA-N	310.313	1.756	50	20	DDGD	
CCC(CC)CNC(=O)NNC(=O)COc1ccccc1F	265774614	UBBZAWZKNMKBIR-UHFFFAOYSA-N	311.357	1.971	50	20	DDGD	
COCCCOc1ccc(C(=O)NNC(=O)C2CCC2)cn1	264789355	RRQZCTLVYMIKBK-UHFFFAOYSA-N	307.350	1.058	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNC(=O)C(C)(C)c1ccccc1	264657215	SCPLKKHEPTZRRA-UHFFFAOYSA-N	314.389	1.776	50	20	DDGD	
C[C@@H](C(=O)NNc1nccc(N2CCOCC2)n1)C(C)(C)C	268561539	DSNPYWJJOMCHND-NSHDSACASA-N	307.398	1.439	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)CCc2ccccc2O)O1	268226516	LACSSSPSUBVFFH-GXTWGEPZSA-N	306.362	1.430	50	20	DDGD	
CCCN(CCC)C(=O)CCC(=O)NNC(=O)c1cccnc1	264059939	CMKJIOYKSMDRDS-UHFFFAOYSA-N	320.393	1.271	50	20	DDGD	
Cc1cc(Cl)ccc1NC(=O)C(=O)NNC(=O)CC1CC1	274057610	KPXAHFMWMYJLSH-UHFFFAOYSA-N	309.753	1.534	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2CCO[C@@H](C(C)C)C2)n1	271813330	PBEQOPCTWISCAE-WDEREUQCSA-N	309.370	1.315	50	20	DDGD	
CSSCCNC(=O)N[C@H]1COc2ccccc2[C@H]1O	368250139	BLYDOIGLSPALJO-CMPLNLGQSA-N	314.432	1.791	50	20	DDGD	
COC(=O)CCCCC(=O)NNC(=O)CCOc1ccccc1	275266633	ISVILRCJZAUJBX-UHFFFAOYSA-N	322.361	1.336	50	20	DDGD	
CCCOc1ccc(CC(=O)NN(C)C(N)=O)cc1OCCC	272133610	CEJNYTUTKZAPLA-UHFFFAOYSA-N	323.393	1.848	50	20	DDGD	
ICCN1CCOC[C@H]1[C@H]1CCCO1	367585830	NOMHGZRIBNSEIE-VHSXEESVSA-N	311.163	1.301	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2	273369066	XKMZICFIAAHKOO-DTWKUNHWSA-N	320.349	1.605	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc(NC(C)C)nc2)n1	279850878	TXDCRNFCDVTHKP-UHFFFAOYSA-N	313.361	1.680	50	20	DDGD	
COC(=O)c1cc(S(=O)(=O)N2CC=C(C#N)CC2)ccc1C	273462186	BOZKPFLLKAKHIP-UHFFFAOYSA-N	320.370	1.626	50	20	DDGD	
Cc1ccc2c(c1)CC[C@@H](C(=O)NNC(=O)c1cccnc1)O2	377375808	WWSYNUDLFRZOEG-HNNXBMFYSA-N	311.341	1.545	50	20	DDGD	
CCOC1CC(C(=O)NNc2nc(-c3ccncc3)no2)C1	376767032	MKBDMZMUEUDQTR-UHFFFAOYSA-N	303.322	1.390	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1ccc([N+](=O)[O-])cc1C	288740137	PQLOJFWIHBIFKW-UHFFFAOYSA-N	324.337	1.873	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CCCN1Cc1ccc(F)cc1	286257301	HIUSXABCFYJBCR-CYBMUJFWSA-N	309.341	1.520	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2[nH]ccc2C)cc1	281634403	VIDOCLCWOIWHLC-UHFFFAOYSA-N	301.346	1.726	50	20	DDGD	
C=CC[C@H](CC)NC(=O)NNc1nc(O)c2cnn(C)c2n1	281215859	CQLKFNXURLOESD-QMMMGPOBSA-N	305.342	1.050	50	20	DDGD	
CO[C@H](CS(=O)(=O)NNC(=O)CC(C)C)c1ccccc1	294909325	BHHFBYZBVPOQDN-CYBMUJFWSA-N	314.407	1.371	50	20	DDGD	
C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)NNC(=O)C1CCCC1	805351634	KNBNMCZUBZLRPO-OCCSQVGLSA-N	308.426	1.476	50	20	DDGD	
COc1ccc(NNC(=O)CNc2ccccc2C(N)=O)cc1	809666332	VEGHIJLFKCWPNR-UHFFFAOYSA-N	314.345	1.349	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)C12CCCN1CCC2	290536561	RLVDUZMDVLHGQY-UHFFFAOYSA-N	315.417	1.785	50	20	DDGD	
CC(C)(CCNC(=O)NNC(=O)Cc1ccncc1)C1CC1	296896601	MQXNUWKJJSYJMX-UHFFFAOYSA-N	304.394	1.781	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1ccc2cc[nH]c2c1	804951052	KNXGGIMGCHSOJC-UHFFFAOYSA-N	319.328	1.901	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1cccc2c1COC2=O	808913516	TXTFZPHBZDHGCQ-UHFFFAOYSA-N	303.253	1.435	50	20	DDGD	
C[C@@H](NC1CC1)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	295338774	ZZDFEJZTIMGRHB-MRVPVSSYSA-N	321.768	1.974	50	20	DDGD	
Cc1noc2ncc(C(=O)NNC(=O)NCC(F)(F)F)cc12	298909349	DKBWRZDLMZSSBN-UHFFFAOYSA-N	317.227	1.038	50	20	DDGD	
CCSCc1ccccc1C(=O)NNC(=O)[C@@H]1CCCO1	294673277	OXCQPPQZKREIQS-ZDUSSCGKSA-N	308.403	1.880	50	20	DDGD	
CC1(C)CC[C@@H]1NC(=O)NNc1ccccc1S(C)(=O)=O	806019114	PEWAGIWPONOUSY-LBPRGKRZSA-N	311.407	1.905	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1C(=O)NNC(=O)N=c1cc[nH]cc1	802022692	FHTWVUFFSIUPJT-UHFFFAOYSA-N	316.365	1.001	50	20	DDGD	
COc1ccccc1C(=O)NNS(=O)(=O)C1=CCCCC1	295681498	CGLREWOVWGLRQN-UHFFFAOYSA-N	310.375	1.717	50	20	DDGD	
COCCCn1nccc1C=NNC(=O)c1ccccc1O	802703840	KGLRKJUHULHKRU-UHFFFAOYSA-N	302.334	1.389	50	20	DDGD	
CC(C)c1ccc(CNC(=O)NNC(=O)[C@@H]2CCCO2)cc1	292001640	RLCSGXDEAFGJHV-AWEZNQCLSA-N	305.378	1.819	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)c2ccc(F)nc2)cc1	802121007	NIFZCVWLRABEFM-UHFFFAOYSA-N	317.324	1.753	50	20	DDGD	
CN(C)C(=O)NNS(=O)(=O)c1cc(Cl)sc1Cl	299418629	HAPRUMBEJUGAMN-UHFFFAOYSA-N	318.207	1.519	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	806497491	JRBIPWNSXSOEKH-UHFFFAOYSA-N	322.708	1.913	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)cc1	817882564	SYDJEUORYDHEJX-NEPJUHHUSA-N	305.378	1.820	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)CNc1ccc(C)cc1	811630651	BDFTZDLKDQLSLF-AWEZNQCLSA-N	302.378	1.568	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NN=C1CCS(=O)(=O)CC1	814839184	MCUMRVTUGVYRMU-UHFFFAOYSA-N	319.386	1.322	50	20	DDGD	
CN(C)C(=O)NNC(=O)C1(c2cccc(Cl)c2)CC(=O)C1	813427771	MTPFWPIXBRMWBG-UHFFFAOYSA-N	309.753	1.243	50	20	DDGD	
C[C@H](C(=O)NNc1ncncc1F)n1cnc2ccccc21	817067551	NAKPUHHEOZEVIP-SECBINFHSA-N	300.297	1.670	50	20	DDGD	
COC(=O)Cc1occc1C(=O)NNc1ncncc1Cl	811327103	YKYXCCGOJJRDSR-UHFFFAOYSA-N	310.697	1.195	50	20	DDGD	
COc1ccccc1SCC(=O)NN=Cc1n[nH]cc1C	814890024	UCTKNPQWTDQYNX-UHFFFAOYSA-N	304.375	1.969	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CC[C@H](C(=O)O)[C@H](C)C1	814854504	KVFLFRTWUVXBTF-SKDRFNHKSA-N	311.382	1.284	50	20	DDGD	
COCC[C@@H](Cc1ccco1)NC(=O)NNc1ncncc1F	814318347	KTEMBZGCESKOGU-JTQLQIEISA-N	323.328	1.483	50	20	DDGD	
COC(=O)Cc1occc1C(=O)NNc1cc(Cl)nc(C)n1	810438263	QPWBISVSWWWYTK-UHFFFAOYSA-N	324.724	1.504	50	20	DDGD	
CCn1nncc1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	815038849	QQVLIVYSMGJNDO-UHFFFAOYSA-N	310.701	1.617	50	20	DDGD	
COc1cc(C(C)=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)on1	814753422	WDSWVYIBFWEZAH-UHFFFAOYSA-N	319.277	1.328	50	20	DDGD	
C[C@H](CCS(C)(=O)=O)NC(=O)NNc1cccc(Cl)n1	814312246	ANEICLXPBNZKHV-MRVPVSSYSA-N	320.802	1.184	50	20	DDGD	
O=S(=O)(CCCCCl)NCC[C@@]1(O)C[C@H]2CC[C@H]1C2	813721944	HAWWNULGXFLJDB-RWMBFGLXSA-N	309.859	1.866	50	20	DDGD	
CC(C)(C)C(=O)N=c1cc[nH]cc1C=NNC(=O)CC1CC1	814987325	NPPVXDXLLAVQMT-UHFFFAOYSA-N	302.378	1.738	50	20	DDGD	
CC(=NNC(=O)c1cc(-c2ccc(C)cc2)[nH]n1)c1cnnn1C	814804957	LZGOQUUBLSXCFC-UHFFFAOYSA-N	323.360	1.668	50	20	DDGD	
Cn1c(=NNC(=O)C2(C)CCOCC2)sc2ccccc21	726750505	SYVXBQDSJAMIIZ-UHFFFAOYSA-N	305.403	1.988	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=Cc1ncc(Cl)s1	814873620	KKZWBOJJJHJSOV-UHFFFAOYSA-N	323.765	1.072	50	20	DDGD	
CCc1nocc1C=NNC(=O)[C@@H]1COc2ccccc2O1	814700856	GFZSJTIZXRDNGP-AWEZNQCLSA-N	301.302	1.527	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1cccc2c1OCCCO2	728786104	CYNNJPJRZNLBAL-UHFFFAOYSA-N	311.341	1.936	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@](C)(OC)C2CC2)c1	812446553	GTUGTPDRZLSQFJ-INIZCTEOSA-N	322.361	1.280	50	20	DDGD	
O=C(CCc1ncccn1)NNc1ccc(C(F)(F)F)cn1	812550204	UCWDOERIOCNVTD-UHFFFAOYSA-N	311.267	1.966	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@H](Cc2ccccc2)C1	827883673	MLUZYOCTULTHBK-OAHLLOKOSA-N	303.406	1.354	50	20	DDGD	
CCC(CC)(C(=O)NN(C)[C@@H](C)CO)C(=O)OC(C)(C)C	823912782	LLXFTMUSELKZEV-NSHDSACASA-N	302.415	1.478	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)Cc1ccc(C(F)F)cc1	495869730	QXBJFKVWKFFGAN-UHFFFAOYSA-N	308.306	1.657	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1F	495366502	DDYOUWFJLLFKMM-UHFFFAOYSA-N	303.677	1.195	50	20	DDGD	
CCCC[C@@H](SCC(=O)NNC(=O)C(C)C)C(=O)OC	829524552	OZPPRNYEYZMAMI-SNVBAGLBSA-N	304.412	1.255	50	20	DDGD	
CCN(CCc1ccccc1)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	827306272	FTYVASWNSDKEPR-HIFRSBDPSA-N	319.405	1.717	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)C(C)(C)C	494452353	JXUAQNOUIRMFRW-SECBINFHSA-N	301.387	1.341	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC=CCC1	822192614	UDTXZSMFPCAWHJ-YOEHRIQHSA-N	316.357	1.720	50	20	DDGD	
Cc1cc(=NNC(=O)CC2CCN(CC(F)F)CC2)cc[nH]1	824862343	CVXJNMXEOOABHA-UHFFFAOYSA-N	312.364	1.622	50	20	DDGD	
C[C@@H](CN1CCCC1=O)NC(=O)/C(C#N)=C/c1ccc(O)cc1	491176858	SDICKUYGWKUYEQ-IGVUGNCQSA-N	313.357	1.426	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H]1COCc2ccccc21	827177674	MKBNPDDXJBQIJJ-SUHUHFCYSA-N	319.361	1.013	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCO[C@@H](C(C)(C)C)C2)cn1	491173750	FHXYXWIESBNLBN-WTWVRAIASA-N	302.378	1.601	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCc2ccccc2[C@@H]1C	827287379	DYCZQGWWPXCELJ-SLEUVZQESA-N	317.389	1.772	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCC(C)(C)C(=O)O)c1ccccc1	828587624	VQVGHWJSTWMCLO-GFCCVEGCSA-N	321.377	1.621	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N(C)Cc1ccccc1F	827315599	SDWCCHLDAKXCCB-ZYHUDNBSSA-N	309.341	1.423	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cc(C)c(F)cc1Cl	497086344	ZQDGVLRVWCYPTR-UHFFFAOYSA-N	317.704	1.503	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NNc2cccnn2)cc1	490842254	KVQXFIYHRJXIGR-RAXLEYEMSA-N	309.329	1.926	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@H]2CCC(=O)N2C)c1	828997432	JESLYMNOBOGMJK-LLVKDONJSA-N	324.381	1.073	50	20	DDGD	
CCN(CCO)NC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C	823837842	HKPVAZVQYKCRDR-UHFFFAOYSA-N	311.382	1.156	50	20	DDGD	
COCn1ccc(C(=O)NNc2oc(C(C)C)nc2C#N)n1	824632670	PHVUSYSLPNEUFM-UHFFFAOYSA-N	304.310	1.227	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CC1(O)CCC1	822204830	CDMSBLOHUCQXGA-SNVBAGLBSA-N	310.325	1.046	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1c[nH]nc1-c1ccc(Cl)s1	823934957	LMVLHETWXCASQR-ZETCQYMHSA-N	314.798	1.749	50	20	DDGD	
CCOC(=O)NNC(=O)Cc1ccccc1O[C@H]1CCOC1	497070174	HMIOFHMUBDEUFV-LBPRGKRZSA-N	308.334	1.174	50	20	DDGD	
CC(C)C(=O)NNC(=O)CSc1c(F)cc(F)cc1F	829093376	YBGCMVRJRFDNPY-UHFFFAOYSA-N	306.309	1.999	50	20	DDGD	
CC[C@@H](Cc1cccc(C)c1)C(=O)NNC(=O)c1cc[nH]n1	824400895	HEFJLDMPTVOAOX-ZDUSSCGKSA-N	300.362	1.748	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@@H]1CO[C@H](C)C1)c1ccccc1	827612916	QWLXARBKUQDRBH-XBFCOCLRSA-N	305.378	1.688	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NN=C1CCN2CCC[C@@H]12	494043256	DSECVVLLOKETLJ-ZDUSSCGKSA-N	324.425	1.632	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@@H]2C[C@H]2c2cncn2C)o1	824632333	FEQHMPSCVZFPNM-NXEZZACHSA-N	314.349	1.650	50	20	DDGD	
CCOc1ccc(OC)cc1NCc1ccccc1B(O)O	585012723	DEPVJVNPZXICIZ-UHFFFAOYSA-N	301.151	1.386	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1nc2ccccc2n1C	496124883	QHQGKMVEQVNDMD-UHFFFAOYSA-N	319.365	1.495	50	20	DDGD	
CCN(CCO)NC(=O)c1cc2c(C(F)F)nn(C)c2s1	823879620	PUZABMILEIYAOJ-UHFFFAOYSA-N	318.349	1.531	50	20	DDGD	
CN(C(=O)/C(C#N)=C\c1ccc(O)cc1)[C@H]1CC(C)(C)OC1=O	490942359	NVSPYDCIKXSVLA-UNJUUPHPSA-N	314.341	1.852	50	20	DDGD	
N#C[C@H]1CC[C@@H](NC(=O)NNC(=O)CCOc2ccccc2)C1	822891354	KPUCIVRVOLXHCT-QWHCGFSZSA-N	316.361	1.478	50	20	DDGD	
CC[C@H](C)CCNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	820873196	MAQVEUFJBHWAQD-JTQLQIEISA-N	308.338	1.975	50	20	DDGD	
C#CC1CCN(C(=O)NNC(=O)CCOc2ccccc2)CC1	825821162	KAUMWULIWRSFFP-UHFFFAOYSA-N	315.373	1.542	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccc(OC(C)C)cc1C	495446977	BFFSZMCPGMWHOU-UHFFFAOYSA-N	309.322	1.108	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(Cc1cccc(C(N)=O)c1)C1CC1	491159323	IJKPKCZDSZAZTE-KAMYIIQDSA-N	313.357	1.720	50	20	DDGD	
CN(C)CCSc1ccc(NCc2ccc(B(O)O)o2)cc1	585016728	XNGNWAIPWZYAPZ-UHFFFAOYSA-N	320.223	1.225	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=C(C)c1cnn(C)n1	834922450	RFFXFAZAAQWXSL-UHFFFAOYSA-N	301.350	1.297	50	20	DDGD	
NC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ccc(F)cc1Br	901162196	GQDRHEWVCNFJLC-RQJHMYQMSA-N	316.130	1.153	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cc(C(=O)O)ccc1N(C)C	901259288	QKZMHFGNZNKBHU-GXFFZTMASA-N	319.361	1.326	50	20	DDGD	
Cc1nc(Cl)ccc1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	831753143	JHYXVVFHDMFDHB-RKDXNWHRSA-N	312.757	1.621	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCCSC)c1F	838482197	PLBVBIWGGKSICJ-UHFFFAOYSA-N	315.370	1.992	50	20	DDGD	
Cc1nn(C)cc1CC(=O)NNc1cccc(Br)n1	837211609	CIWAAMGTBKVTEF-UHFFFAOYSA-N	324.182	1.572	50	20	DDGD	
C[C@]1(C(=O)N2CC[C@H](N3CCCC3)C2)C[C@H]1Br	906524679	XZZCPWDIEARVTO-LOWVWBTDSA-N	301.228	1.857	50	20	DDGD	
COc1cccc(NNC(=O)[C@]2(C)C[C@@H]2Br)n1	907258521	OMAZPUGLTJCZCC-WRWORJQWSA-N	300.156	1.707	50	20	DDGD	
Cc1cccc(COc2cccc(CC(=O)NCB(O)O)c2)c1	585059888	FHZCETBDGMMWFC-UHFFFAOYSA-N	313.162	1.245	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@H]2CCC[C@H](C(=O)O)C2)cc1	833072738	YEPYCPGGDXEXSV-STQMWFEESA-N	315.329	1.210	50	20	DDGD	
Cc1cc(C)c2c(c1)[C@@H](NCc1cccc(B(O)O)c1)CCO2	585020689	GCMOTKAVJMQTPN-KRWDZBQOSA-N	311.190	1.597	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@@](C)(O)C2CC2)cc1F	837051003	YHALKAYFKNLMLB-OAHLLOKOSA-N	310.325	1.607	50	20	DDGD	
O=C(NNc1cccnn1)c1cc(Cl)c2c(c1)OCCO2	736697325	GJCALCDGYCGJFH-UHFFFAOYSA-N	306.709	1.658	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c(O)n1	916745643	ALRZGPQKLYBHGU-UHFFFAOYSA-N	324.340	1.581	50	20	DDGD	
Cc1cccnc1CCCNC(=O)NNC(=O)CC(F)(F)F	838664567	GNOAHBNVXJSEJE-UHFFFAOYSA-N	318.299	1.605	50	20	DDGD	
CC[C@H]1CCC[C@H]1CNC(=O)NNC(=O)N=c1cc[nH]cc1	836557280	JSOTYYOPIXATIE-RYUDHWBXSA-N	305.382	1.666	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1cccc2c1CCO2	836581077	FROBXIRESKIMKD-CYBMUJFWSA-N	305.334	1.343	50	20	DDGD	
Cc1cc(N(C)C)ccc1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	831236040	RFHDGFYYFNDSOC-AAEUAGOBSA-N	320.393	1.639	50	20	DDGD	
CC/C=C(/C)C(=O)NNC(=O)c1cc(Br)c[nH]1	914878806	AVSUUEJDMCXSNL-DAXSKMNVSA-N	300.156	1.895	50	20	DDGD	
COCCCOCC(=O)NNc1ccc(C(=O)OC)cc1F	837206784	HBCLIRSRCLAXSV-UHFFFAOYSA-N	314.313	1.109	50	20	DDGD	
CC(=NNC(=O)CC(C)C)c1cn(CC(=O)OC(C)(C)C)nn1	834928932	UTAOJAVOXDJSBI-UHFFFAOYSA-N	323.397	1.506	50	20	DDGD	
Cc1c(F)cccc1S(=O)(=O)NNC(=O)NCC1CC1	743257103	QPFWHSAMJLCJOV-UHFFFAOYSA-N	301.343	1.037	50	20	DDGD	
O=C(NNC(=O)[C@@H](c1ccccc1)n1cccn1)c1ccncc1	748697241	WIOAMIICTADVFN-OAHLLOKOSA-N	321.340	1.329	50	20	DDGD	
Cc1nc(CCC(=O)NNc2ccnc(N(C)C)n2)cs1	740107815	NTGWGOBOHNSQQV-UHFFFAOYSA-N	306.395	1.383	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1ccc2ncccc2c1	741658016	YWAZPJJYPDVSRX-UHFFFAOYSA-N	321.402	1.981	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=S)Nc1ccc(Cl)cc1	747756825	UWRWCUYJZQHBLH-UHFFFAOYSA-N	314.798	1.182	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@@H](CC(C)C)OC	841585020	URYDKQKHANVQQB-GFCCVEGCSA-N	323.393	1.700	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N[C@H]2CCCC[C@@H]2CN)c1	841952019	ZDVJMJMDWLFAJQ-KGLIPLIRSA-N	315.377	1.020	50	20	DDGD	
COc1cc(C=NNC(=O)C(=O)NC2CC2)ccc1SC	746488985	OGKGIEPXMULQFY-UHFFFAOYSA-N	307.375	1.146	50	20	DDGD	
COCCN(C)NC(=O)C[C@H](c1nccn1C)C(F)(F)F	848056266	ORLKMPKUAKPYFP-SECBINFHSA-N	308.304	1.066	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cccc2c1OC(F)(F)O2	842548797	CDPBODSDQWRHTJ-WCBMZHEXSA-N	312.272	1.883	50	20	DDGD	
CC1CCN(C[C@@H](C)C(=O)NN=Cc2ccc(O)nc2)CC1	841615122	WIXPOJBWQQQVPL-CYBMUJFWSA-N	304.394	1.605	50	20	DDGD	
COc1ccc2onc(CC(=O)NNC(=O)NC(C)C)c2c1	841386461	NSAMLPMUJPKQCH-UHFFFAOYSA-N	306.322	1.118	50	20	DDGD	
N#Cc1ccc(C(=O)NN=C2CCN(c3cnccn3)CC2)cc1	747053994	ZVGVRAHECDMIBR-UHFFFAOYSA-N	320.356	1.734	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)C2)c2ccccc2n1	843876750	SGNVKDBDTZHULW-NSHDSACASA-N	311.341	1.673	50	20	DDGD	
C[C@@H]1CN(CCNC(=O)[C@]2(C)C[C@@H]2Br)[C@H](C)CO1	912394588	UIYRIQQXOOKSLS-HNCHTBHHSA-N	319.243	1.385	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)C2)o1	843774466	VGQNWMZMGAOWJO-NSHDSACASA-N	321.377	1.252	50	20	DDGD	
CCCNCCNC(=O)NNc1ccc(C(=O)OC)cc1F	841960624	CJBLMNQXMNVLKR-UHFFFAOYSA-N	312.345	1.238	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1cnc2n(c1=O)CCS2	748549341	KUYWQNVUOFMDNX-UHFFFAOYSA-N	320.349	1.553	50	20	DDGD	
O=C(NNc1ccc(Br)cc1F)[C@@]1(O)CCOC1	840401041	CHHWRJQMMOOSDC-LLVKDONJSA-N	319.130	1.183	50	20	DDGD	
CN(C)c1ncc(C(=O)NNC(=O)CC(F)(F)F)cc1Cl	848371486	WSQZFPMHJLSREM-UHFFFAOYSA-N	324.690	1.514	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)Sc1ccc(Cl)nn1	747804846	CJUDZWSGQCAPDR-MRVPVSSYSA-N	316.814	1.804	50	20	DDGD	
COc1ccc(NNC(=O)Cc2nc(C3CC3)nn2C)cc1	844132000	BSDCJYPBIPLUKR-UHFFFAOYSA-N	301.350	1.387	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O	843777836	QCYXKYIGRUBLBF-UHFFFAOYSA-N	316.701	1.306	50	20	DDGD	
CCn1ccc(C(=O)NNC(=O)CCOc2ccccc2)n1	843777852	CPYXIXFSKBRQTO-UHFFFAOYSA-N	302.334	1.133	50	20	DDGD	
CO[C@]1(C=NNC(=O)Cn2c(C)nc3ccccc32)CCOC1	841609869	WKDHMPQPTNPHRB-INIZCTEOSA-N	316.361	1.252	50	20	DDGD	
CS[C@H]1CCCCN(CC(=O)NNC(=O)C(C)(C)C)C1	749465634	HQFFGBSJBXCVPD-NSHDSACASA-N	301.456	1.397	50	20	DDGD	
Cn1cccc1CNC(=O)NNC(=O)COc1ccccc1F	743510231	SJUWOGGIJDHEDT-UHFFFAOYSA-N	320.324	1.074	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCCOc1cccc(F)c1	843648071	VVAOZKWYKHQCQC-FZMZJTMJSA-N	324.352	1.557	50	20	DDGD	
Cc1c(NNC(=O)NC[C@H](C(=O)O)C(C)C)cccc1[N+](=O)[O-]	848591924	DFCXYXRMWVSNMN-JTQLQIEISA-N	324.337	1.886	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(N2CCOCC2)c(C)c1	843882497	PCIFMWGUSMDTCA-UHFFFAOYSA-N	307.394	1.055	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1ccc(OC)c(OC)c1	748259041	SGHPRSBEHLFVJD-GFCCVEGCSA-N	324.377	1.596	50	20	DDGD	
CNC(=O)C[C@H](C)NC(=O)NNc1ccc(F)cc1Cl	922748182	PONPFGJBCOPMNV-ZETCQYMHSA-N	302.737	1.630	50	20	DDGD	
COC(=O)c1cnc(C(C)=NNC(=O)[C@@H]2CCO[C@@H]2C)s1	842550635	ZLEPVDJDIPKFAH-RKDXNWHRSA-N	311.363	1.195	50	20	DDGD	
COc1ccc(OCC(=O)NN=C(C)C[C@@H]2CCOC2)cc1	751516751	RVAHOUKRSFBTLZ-ZDUSSCGKSA-N	306.362	1.993	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cc(C)ns2)c(O)c1	756856753	LJNOZWBIYDUNBW-UHFFFAOYSA-N	306.347	1.932	50	20	DDGD	
CC1(C)C[C@@]1(NCC(=O)NNC(=O)C1CC1)c1ccccc1	852772130	JYJINRXRNOOYKJ-QGZVFWFLSA-N	301.390	1.459	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2cccn2C)c(N(C)C)n1	757754928	XDUOMIPMLOIGAP-UHFFFAOYSA-N	316.365	1.261	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)c2c[nH]c3ccccc23)[C@@H]1C	858158359	HOSCJOVUZKDWDC-RSQPEXBXSA-N	315.373	1.988	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)CCNC(C)(C)C	929246986	LYMNPBUAMGMTLM-UHFFFAOYSA-N	324.450	1.791	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(F)cc(F)c1OC	757686976	KJQDCWNALYOJKE-UHFFFAOYSA-N	303.265	1.163	50	20	DDGD	
Cc1ocnc1CNC(=O)NC[C@@]1(C)C[C@@H]1Br	856845310	NGQYNQPMHSDHLO-GXSJLCMTSA-N	302.172	1.956	50	20	DDGD	
Cc1cccc([C@H](C)CNC(=O)NNC(=O)c2cn[nH]c2)c1	858244639	FASCWFVEJPQMMG-LLVKDONJSA-N	301.350	1.466	50	20	DDGD	
O=C(NNC(=O)C1(C(F)F)CCCC1)c1cccc(F)n1	856427017	MIFYFQWOMVFAEZ-UHFFFAOYSA-N	301.268	1.807	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@H](C)C1CCCC1	854282102	CKKCMLYVGTVKCE-LLVKDONJSA-N	301.456	1.687	50	20	DDGD	
Cc1nnccc1C(=O)NNC(=O)Cc1c[nH]c2ccccc12	752993125	OCCMQPJSTRJNOE-UHFFFAOYSA-N	309.329	1.270	50	20	DDGD	
CN1CC[C@@H](C(=O)NNC(=O)NCC2CC2)c2ccccc21	750723007	BJVSGYLSFYVQCD-CYBMUJFWSA-N	302.378	1.351	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1ccccc1OC)[C@@H]1CCCO1	756072901	NAXNOTSLBRPRAP-JSGCOSHPSA-N	321.377	1.597	50	20	DDGD	
CN1CC[C@@H](C(=O)NNC(=O)Cc2ccncc2)c2ccccc21	750779077	ZLNDZGMSTHGOJM-OAHLLOKOSA-N	324.384	1.395	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCCO[C@@H]1CCOC1	927523249	WACBONAJQVEZOT-CQSZACIVSA-N	307.394	1.989	50	20	DDGD	
COC(=O)c1cccc(CNC(=O)NNC(=O)C(C)(C)C)c1	757742726	SQRLNPDUIXUCRX-UHFFFAOYSA-N	307.350	1.350	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@]2(C)C[C@@H]2Br)cn1	857734632	UPQDAGFUHMPIRO-SUJDDTESSA-N	323.194	1.617	50	20	DDGD	
C[C@@]1(CNC(=O)NC[C@@]2(C)CCOC2)C[C@H]1Br	856833512	OMEZNCRVNPPECE-JLLWLGSASA-N	305.216	1.886	50	20	DDGD	
Cc1cnc([C@@H](NCC(=O)NNC(=O)C2CC2)C2CC2)s1	754420010	UYONXAPKJMJSMD-LBPRGKRZSA-N	308.407	1.050	50	20	DDGD	
CCOC(=O)CC1(N/C=C(\C#N)C(=O)OCC)CCOCC1	853000253	HOAVRJZMKMBNNU-VAWYXSNFSA-N	310.350	1.049	50	20	DDGD	
C[C@]1(CNC(=O)N2[C@H]3CCNC[C@H]2CC3)C[C@H]1Br	857105672	PKGNOXPUFCUMPN-PRULPYPASA-N	316.243	1.696	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1nnc(C(F)F)s1	929949062	NXQBMZPLLHHFJX-UHFFFAOYSA-N	303.294	1.432	50	20	DDGD	
O=C(NC[C@H]1CCN(C2CC2)C1)NNc1ncc(Cl)cn1	856840978	YOVJFGNORGRQHH-SECBINFHSA-N	310.789	1.240	50	20	DDGD	
O=C(NNC(=S)Nc1ccc2c(c1)OCCO2)c1ccc[nH]1	753817742	OFRQXHXBOVBPNV-UHFFFAOYSA-N	318.358	1.417	50	20	DDGD	
CC(C)[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc(F)n2)CCO1	852239827	VHHUTWVWBGIZFL-PWSUYJOCSA-N	324.356	1.368	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(F)n2)nn1C(C)C	856427187	RFGUSNJEOHHYDO-UHFFFAOYSA-N	305.313	1.381	50	20	DDGD	
C=CCNC(=S)NNC(=O)C[C@H](n1cccn1)C(F)(F)F	854185674	GMYSOASYNDGSAX-QMMMGPOBSA-N	321.328	1.058	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)OCC(F)(F)F	856027054	XAXIHXHJSYQMAI-UHFFFAOYSA-N	306.240	1.775	50	20	DDGD	
C#C[C@H](NC(=O)NC[C@]1(C)C[C@@H]1Br)[C@@H]1CCCO1	856849131	MLUZKGYOOFHVTC-ZPFDUUQYSA-N	315.211	1.640	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2CCCN2C2CC2)C[C@H]1Br	857390131	BSCGPXZCAYHGLN-NQBHXWOUSA-N	301.228	1.903	50	20	DDGD	
C[C@H](C(=O)NN=c1cc[nH]cc1Cl)n1nnnc1C(C)(C)C	758326115	QTHNVUUEFPWTED-MRVPVSSYSA-N	323.788	1.145	50	20	DDGD	
CCC[C@@H](CNC(=O)NNC(=O)c1ccccc1OC)OCC	858207775	MGQKUWUTGHNKER-LBPRGKRZSA-N	323.393	1.844	50	20	DDGD	
CCCn1nccc1C=NNC(=O)Cc1cn2ccccc2n1	853314824	VIWXVDFKFIKCAB-UHFFFAOYSA-N	310.361	1.634	50	20	DDGD	
O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1cccc(B(O)O)c1	869578347	RMDQFFWXUKNOTF-IAGOWNOFSA-N	309.174	1.433	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC[C@](O)(c2ccccc2)C1	862804939	XEJWJCMDSYOFFO-BHEFUSTPSA-N	300.358	1.941	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=C1CCN2CCC[C@H]12	765554511	FFKROVGUNAARRU-OAHLLOKOSA-N	301.390	1.968	50	20	DDGD	
C[C@H](NNC(=O)C1(NC(=O)OC(C)(C)C)CC1)C(F)(F)F	862315624	YMEWXUWRYIFOKE-ZETCQYMHSA-N	311.304	1.615	50	20	DDGD	
CSc1ccc(C(C)=NNC(=O)CS(C)(=O)=O)cc1F	863189531	PXNQGKIGKAQVSZ-UHFFFAOYSA-N	318.395	1.432	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCC(SC)CC1	868230530	GEWPNWPYAMNTMS-UHFFFAOYSA-N	323.418	1.877	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2ccc(OC(F)F)c(F)c2)N1	863147527	HZONCBJVMZUUBN-VIFPVBQESA-N	315.251	1.156	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)COC(=O)C(C)(C)C	767286421	IFAYVTFXCKVNSF-UHFFFAOYSA-N	306.362	1.274	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)C(C)(C)F	768919569	FRHSYUUJIZJHIG-UHFFFAOYSA-N	306.341	1.494	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccnn2CC2CCC2)o1	866436264	LZKKFFYUACJEEY-UHFFFAOYSA-N	302.334	1.659	50	20	DDGD	
C[C@@H](NNC(=O)[C@@]1(O)CCc2ccccc2C1)C(F)(F)F	862319357	BZNHFVYONZPGKY-NOZJJQNGSA-N	302.296	1.478	50	20	DDGD	
CC(C)O[C@@H]1CC(=NNC(=O)CNC(=O)c2ccco2)C1(C)C	764912867	ZIOFBCKEEKTVHE-CYBMUJFWSA-N	321.377	1.705	50	20	DDGD	
CSCc1noc(CCC(=O)NNc2cccc(C)n2)n1	862522138	KCFMRUDMFUUVBW-UHFFFAOYSA-N	307.379	1.712	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)N[C@@H]1CCN(C2CC2)C1	765827907	SNFFZGSQNJWLHL-SECBINFHSA-N	318.406	1.554	50	20	DDGD	
O=C(Cn1nnc(-c2ccccc2)n1)NN=C[C@@H]1C[C@H]2CC[C@H]1C2	762418404	OBNTZFPLLKKSOO-QEJZJMRPSA-N	324.388	1.878	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2nc3ccccc3n2C)o1	1117722037	HWSYXBCNCAERNT-UHFFFAOYSA-N	314.301	1.710	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCSC1)c1ccc(Cl)cc1O	762163397	OKHRPPJQJTVMMC-SSDOTTSWSA-N	300.767	1.560	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C(C)(C)OCC)c1	874952392	UIAXYEGJBOEMLG-UHFFFAOYSA-N	305.403	1.801	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C2CCC(O)CC2)c1	874952597	ZUSHINYSPMAFLH-UHFFFAOYSA-N	317.414	1.537	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1118814025	SUIGXZLJOMIUNU-CABZTGNLSA-N	305.216	1.581	50	20	DDGD	
Cc1ccc([C@@H](C)C(=O)NNc2nc(O)c3cnn(C)c3n2)o1	770970856	DTVJIWHBLCWDOC-MRVPVSSYSA-N	316.321	1.217	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@H](C)c1cccc(NC(C)=O)c1	774863802	NNUNVLDEUBZUIN-GHMZBOCLSA-N	320.393	1.242	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc2c1OCC[C@@H]2OC	879428284	SNKGODQCVHXJKD-ZDUSSCGKSA-N	309.366	1.771	50	20	DDGD	
Cc1ccc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)s1	771891815	VLTWCLREMZYRCS-SNVBAGLBSA-N	312.391	1.795	50	20	DDGD	
CC(C)C[C@H]1OCCC[C@@H]1NCC(=O)NNC(=O)C(C)(C)C	775871689	IAJLQCGZJYQKGW-QWHCGFSZSA-N	313.442	1.363	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H](C)NC(=O)c1ccco1	772868459	YWWGAYGNTFKYCM-JTQLQIEISA-N	317.349	1.455	50	20	DDGD	
C=C(CN(C)C)C(=O)NNC(=S)Nc1ccc(C)c(C)c1	873762895	HEYOODOMGFFAGW-UHFFFAOYSA-N	306.435	1.739	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H](C)Oc1cccnc1	772860279	LKAVSWCCEIYXND-NSHDSACASA-N	301.350	1.906	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1Cl	779769577	YRKURQLREHLTJN-NSHDSACASA-N	314.794	1.533	50	20	DDGD	
CCN(CC)CC(=O)NNC(=S)Nc1cc(C)ccc1C	873754393	JPEYDHDBEFXQPZ-UHFFFAOYSA-N	308.451	1.963	50	20	DDGD	
Cc1nn(Cc2ccccc2)c(Cl)c1C=NNC(=O)CO	776780734	MUQABWGEBJTNFU-UHFFFAOYSA-N	306.753	1.336	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NOC1CCOCC1	773534154	HKQYLFRFWYCQTP-UHFFFAOYSA-N	307.350	1.060	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@]1(C)CC(C)(C)OC1=O	882224109	VBPWPNAZVUZFKS-GFCCVEGCSA-N	311.831	1.655	50	20	DDGD	
Cc1cc(C)c2cc(C(=O)NNC(=O)C3CCOCC3)[nH]c2c1	883060396	KJRCQPIOJQPULP-UHFFFAOYSA-N	315.373	1.972	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)n1cc(-c2cccs2)nn1	881291525	SAUFVLNSIAHMMZ-JTQLQIEISA-N	321.406	1.761	50	20	DDGD	
CC(C)Oc1cc(NC(=O)NNC(=O)c2cccn2C)ccn1	779928779	KKIYZSLBAISPHG-UHFFFAOYSA-N	317.349	1.674	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccc3cc[nH]c3n2)cc1	779384072	HUWILYTWYXXOST-UHFFFAOYSA-N	323.356	1.744	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C1CCOCC1)[C@@H]1CCC[C@@H](C)C1	883684511	JIQWAFSNLNYQFJ-MBNYWOFBSA-N	311.426	1.958	50	20	DDGD	
O=C(NNc1cc(Br)ccc1F)[C@]1(O)CCOC1	885148817	GFCJFZRBFRMUSF-NSHDSACASA-N	319.130	1.183	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)OC[C@@H]2CCCO2)cc1O	882049003	WBYDPRAPCYXVTL-YPMHNXCESA-N	322.361	1.046	50	20	DDGD	
CN1C[C@@H](C(=O)NNC(=O)C(C)(C)C)c2ccccc2C1=O	784838057	KUBRZTPIRWICPA-GFCCVEGCSA-N	303.362	1.049	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCO[C@@H]1CCOC1	885731100	JETRHYCOWUSPOM-GFCCVEGCSA-N	315.801	1.274	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCC(C)(C)C#N	781956607	ZSZGQOCTSOEART-JTQLQIEISA-N	322.340	1.473	50	20	DDGD	
COCCN(CC(F)(F)F)S(=O)(=O)CBr	782425147	OESOBLNFTNKGGO-UHFFFAOYSA-N	314.123	1.179	50	20	DDGD	
CSc1ccccc1S(=O)(=O)NNC(=O)C1CCC1	780390043	MQKBFCMFEOSXMH-UHFFFAOYSA-N	300.405	1.518	50	20	DDGD	
Cc1ccc2oc(SCC(=O)NNC(=O)C(C)(C)C)nc2n1	783912321	QGLGJBOEWZXZLR-UHFFFAOYSA-N	322.390	1.817	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cccc2c1OC(C)(C)C2	789397782	OVJDPDBCPFKOMP-UHFFFAOYSA-N	307.350	1.589	50	20	DDGD	
CCOC(=O)N(C)CCCC(=O)NNc1nc(C)cc(C)n1	895557595	ONMVQCHUDBBONN-UHFFFAOYSA-N	309.370	1.405	50	20	DDGD	
Cc1cccc(S(=O)(=O)NNC(=O)NCC2CC2)c1F	781559931	WLOGCXHRWONQSO-UHFFFAOYSA-N	301.343	1.037	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)N[C@H]2CC[C@@H](C)C2)cc1	780787865	XSYOFTSZKWFMRC-NEPJUHHUSA-N	321.377	1.593	50	20	DDGD	
CCn1ccc(CN(C)CC(=O)NNC(=O)c2ccccc2)c1	792312583	FQCJXDKEQOGQKS-UHFFFAOYSA-N	314.389	1.401	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNC(=O)CNc2ccccc2)s1	895536585	LTOFPXOHMUYLOR-UHFFFAOYSA-N	318.402	1.562	50	20	DDGD	
Cc1nc2c(C(=O)NNc3cc(Cl)nc(N)n3)cccc2o1	792311549	UMPUJPNSQTYREL-UHFFFAOYSA-N	318.724	1.919	50	20	DDGD	
Cc1ccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)cc1C#N	799420674	HJFDBLIGHKILDX-JTQLQIEISA-N	302.403	1.774	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1c(C)cc(C)cc1O	799878395	WZMLJSCJLSYYAN-UHFFFAOYSA-N	303.362	1.472	50	20	DDGD	
Cc1ccc(-n2cnnc2)c(C(=O)NNC(=O)C2CCCC2)c1	797827421	HCSOUAPUNMAIJG-UHFFFAOYSA-N	313.361	1.527	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@@H](O)c1ccccc1	791147582	FFKBEXDGZGOVAI-ZDUSSCGKSA-N	305.265	1.911	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1ccnc(C(=O)N(C)C)c1	792313119	KPAJDWMPCMZJLY-UHFFFAOYSA-N	314.349	1.635	50	20	DDGD	
Cc1cscc1NC(=O)C(=O)NNc1nc2ccccn2n1	792394716	MUVGECNLIYSHOW-UHFFFAOYSA-N	316.346	1.181	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccn(-c3ccccc3)n2)n1	794076796	IZZMVEUOILRQKD-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
Cc1cccnc1NNC(=O)c1c(C)oc(C)c1S(N)(=O)=O	791214079	TWSQCFQZNRWUEL-UHFFFAOYSA-N	324.362	1.004	50	20	DDGD	
COc1cc(O)ccc1C=NNC(=O)Cn1cnc2ccccc21	1317757372	ZYUHVINLDMEEDI-UHFFFAOYSA-N	324.340	1.901	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cnc(C(C)C)[nH]2)n1	1319356711	NMDTVKMUXGVJAU-UHFFFAOYSA-N	317.397	1.926	50	20	DDGD	
Nc1cc(C(=O)NN=Cc2cccc3c[nH]nc23)cc([N+](=O)[O-])c1	1318685199	LNRXHUJYWOKRKV-UHFFFAOYSA-N	324.300	1.817	50	20	DDGD	
CCOC(=O)C[C@H]1CCCN1C(=O)/C(C#N)=C\c1cnn(C)c1	1325180643	FSVWWTWUGIEWOA-SVSAJMPUSA-N	316.361	1.271	50	20	DDGD	
CCCCC[C@H](O)C(=O)NNC(=O)COCc1ccccc1	1324470675	FSBJEXNIWLORNU-AWEZNQCLSA-N	308.378	1.292	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cc3ccccc3[nH]2)c1Cl	1324498998	PCQHEPZTGABMTQ-UHFFFAOYSA-N	302.725	1.950	50	20	DDGD	
Cc1cc(C)nc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)c1	1321738886	HQSPGJOQYAWUNS-UHFFFAOYSA-N	313.361	1.375	50	20	DDGD	
Nc1cnnc(NNC(=O)N[C@@H]2CCC(F)(F)C2)c1Cl	1253104662	VDHQIOMURFEHMR-RXMQYKEDSA-N	306.704	1.526	50	20	DDGD	
CSCCCNC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1328931669	XALKDTNOYLYZMG-GZMMTYOYSA-N	323.256	1.145	50	20	DDGD	
COC(=O)c1ccccc1C(=O)NNC(=S)N[C@@H](C)C1CC1	1335977628	JMVGWCDMPDIEPR-VIFPVBQESA-N	321.402	1.381	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)c2ccc(OC)cc2)CCC1	1335395224	LQWAGGGKMAUHOA-UHFFFAOYSA-N	320.345	1.190	50	20	DDGD	
COC1(OC)CC(CNC(=O)[C@@]2(C)C[C@@H]2Br)C1	1336834421	FYSVAEJHQUGACM-ONGXEEELSA-N	306.200	1.675	50	20	DDGD	
COCCn1cc(C(=O)NNc2ncccc2F)c(=O)cc1C	1349534472	OYFPSJSIDDPVIE-UHFFFAOYSA-N	320.324	1.094	50	20	DDGD	
Cc1ccccc1C(F)(F)C(=O)NNC(=O)N=c1cc[nH]cc1	1340043365	UQWORNQZHQJHLC-UHFFFAOYSA-N	320.299	1.757	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(C(=O)OC)cc1C	1351127323	APCGUFOXHYRRDZ-UHFFFAOYSA-N	317.345	1.738	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2C[C@H]2F)cc1	1350759033	NFRNCMWBAJSEEZ-OASPWFOLSA-N	310.325	1.358	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2nnc(C)o2)c1C	1520702939	KSBOOKVDHKLUQM-UHFFFAOYSA-N	319.321	1.299	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H]2CCC[C@@H](C(=O)O)C2)c1	1600648161	QSJWIAILQBRJAY-NXEZZACHSA-N	310.375	1.709	50	20	DDGD	
Cc1ccc(C(=O)NNc2cccc(C(=O)O)c2)c(O)c1O	1600341864	CACOMCYSIWXYBG-UHFFFAOYSA-N	302.286	1.861	50	20	DDGD	
O=C1CCN(C/C(=C\c2cnn(CCCl)c2)C(=O)O)CC1	1602646544	KMLCJMLMZUBWCN-KPKJPENVSA-N	311.769	1.255	50	20	DDGD	
Cc1c(Cl)c(C(=O)NNc2ccccc2C(=O)O)nn1C	1600012861	IWISAYBFGBIFSR-UHFFFAOYSA-N	308.725	1.837	50	20	DDGD	
Cc1cc(C[C@H](C)NC(=O)NNc2cccc(C(=O)O)c2)n[nH]1	1600188206	CHXPOTFIXVTNFY-VIFPVBQESA-N	317.349	1.674	50	20	DDGD	
O=C(O)COCC(=O)NNc1nc2ccc(Cl)cc2s1	1602078256	PUQZIDVEKYDRMM-UHFFFAOYSA-N	315.738	1.494	50	20	DDGD	
O=C(O)CC[C@@H]1CC[C@H](C(=O)NNc2cccnc2Cl)O1	1602036453	WFFYQBXDFWJCEI-WCBMZHEXSA-N	313.741	1.591	50	20	DDGD	
O=C(CCOC1CCOCC1)NNc1cccc(C(=O)O)c1	1610657340	UWFFEQWQAGXKFT-UHFFFAOYSA-N	308.334	1.414	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@@H]1F)C(Cl)Cl	1801500499	WVUUHEHFRAJAKL-SVSWQMSJSA-N	323.195	1.786	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)Nc1ccc2[nH]nc(C(=O)O)c2c1	1610700396	QWDXSJZCZNAPEO-UHFFFAOYSA-N	312.289	1.227	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@H]1C=NNC(=O)c1cnccn1	1552447334	RSVRJJWOODCRPU-AAEUAGOBSA-N	314.349	1.094	50	20	DDGD	
CCS[C@H]1CCC[C@H]1NS(=O)(=O)CBr	227980790	XEZOYQGHFGWLFS-SFYZADRCSA-N	302.259	1.932	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@H]2C[C@H](N)C2)cc1	1578183250	LZCIFYUMTNXJHZ-MGCOHNPYSA-N	308.407	1.140	50	20	DDGD	
CN(N)C(=O)CC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C	1573877889	ZJJLNRCVAFLQPM-SNVBAGLBSA-N	301.387	1.471	50	20	DDGD	
Cc1cc(N)cc(CNC(=O)NNc2nc3ccccn3n2)c1	1579620214	OSXDCLBORJHQPY-UHFFFAOYSA-N	311.349	1.446	50	20	DDGD	
CO[C@H]1CN[C@](C)(C(=O)NNc2cccc3c2CCCC3)C1	1578949186	SJSUSRKEZHXUMM-DYVFJYSZSA-N	303.406	1.776	50	20	DDGD	
Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)CCN	1579604272	DWAFOMFSCGLSBH-UHFFFAOYSA-N	313.785	1.304	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H](F)C2CNC2)cc1C	1579723089	YIDUSXCSOTXGCI-GFCCVEGCSA-N	310.398	1.179	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@]2(C)CCNC2)cc1C	1574156595	MJGOSKFNJFMXAF-OAHLLOKOSA-N	306.435	1.621	50	20	DDGD	
C/C(=C/c1ccco1)C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1588772705	QBCVILOORISXDB-CLFYSBASSA-N	311.305	1.401	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCC1(CC(=O)O)CCCC1	1589740886	OHUVJJZFGVPXCX-UHFFFAOYSA-N	313.398	1.788	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cn[nH]c1)C2	1845165068	SRIFRIGMNUXQHI-LLVKDONJSA-N	310.785	1.244	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1ccncc1)C2	1845164084	JQKBZDOCUBNZNN-CYBMUJFWSA-N	321.808	1.916	50	20	DDGD	
CCNC(=O)CCCC(=O)NNc1ccc(F)c(C(=O)O)c1	1596458917	WCPHXPFDOKBSPB-UHFFFAOYSA-N	311.313	1.273	50	20	DDGD	
CC1(C)CNCC[C@@H](NC(=O)NNc2cccc(C(=O)O)c2)C1	1593955214	NUYZCJGWFXKQRM-CYBMUJFWSA-N	320.393	1.789	50	20	DDGD	
O=C(O)CC[C@H]1C[C@H](C(=O)NNc2ccc(F)cc2F)CO1	1595006555	SRFAFDVBJXGDCM-WPRPVWTQSA-N	314.288	1.678	50	20	DDGD	
C[C@]1(C(=O)Nc2nc(CC(=O)O)cs2)C[C@@H]1Br	1593761205	BLTZSVCLVDSJAU-WKEGUHRASA-N	319.180	1.882	50	20	DDGD	
O=C(NN=Cc1cc(Cl)ncc1C(=O)O)c1ccccc1O	1776017636	SATZZEFLPOXEPD-UHFFFAOYSA-N	319.704	1.903	50	20	DDGD	
O=C(O)CCOc1cccc(C=NNC(=O)c2cccnn2)c1	1776103507	MQVRTNOKNWXJFZ-UHFFFAOYSA-N	314.301	1.094	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C\c1ccccc1OCCC(=O)O	1776120688	QNTRFZMLDTVGDQ-RAXLEYEMSA-N	300.314	1.749	50	20	DDGD	
CC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)CN	1795957805	DIAGKSJWIWIZQY-LBELIVKGSA-N	315.845	1.237	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Cc2ccccc2F)c1	5512852	KAQRIXARUHOYTP-UHFFFAOYSA-N	316.332	1.903	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	13230051	ASOBVWKOWBAADN-UHFFFAOYSA-N	314.345	1.372	50	20	DDGD	
Cc1cc(CC(=O)NNC(=S)Nc2c(C)cccc2C)[nH]n1	17514198	BANRIQHKOFMOSI-UHFFFAOYSA-N	317.418	1.895	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)[C@@H]1COc2ccccc21	161832972	OSWDOTFPWINDPK-LLVKDONJSA-N	314.370	1.575	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(Br)ccc1OC	158268317	JZFGVMMXNIGZPR-UHFFFAOYSA-N	317.139	1.849	50	20	DDGD	
COC(=O)NNC(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C	158740832	JYHQOLLLQIENGX-UHFFFAOYSA-N	320.324	1.558	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F	158872182	IHLNROMKOGKXHQ-GHMZBOCLSA-N	319.311	1.868	50	20	DDGD	
CC(=O)N1CCC[C@@H](C(=O)NNc2cccc([N+](=O)[O-])c2)C1	151537560	UDHKPEZVIFTLCO-LLVKDONJSA-N	306.322	1.296	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2(c3ccc(Cl)cc3)CC2)[nH]n1	151190090	FRZWJJBEFIUIMX-UHFFFAOYSA-N	318.764	1.864	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccc(N3CCCC3)nn2)cc1	155147180	CFGOCXLBBNJTLF-UHFFFAOYSA-N	308.345	1.705	50	20	DDGD	
CCOC(=O)N1CCC[C@@H](C(=O)NNc2ccc(C#N)cc2)C1	155205874	HLEUWGHEZNNOSA-CYBMUJFWSA-N	316.361	1.870	50	20	DDGD	
CCc1ccc(CCC(=O)NNc2ncnc3nc[nH]c23)cc1	156227359	HYPVSMNTJMYLFW-UHFFFAOYSA-N	310.361	1.991	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCCOCc1ccccc1	51481101	BIVJNDXCMOSTNQ-UHFFFAOYSA-N	307.419	1.665	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@H]1CCC[C@@H]1C	104811161	WHFURRGDRGBLRP-AAEUAGOBSA-N	305.378	1.757	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1ccccc1C(F)(F)F	105507828	FEXCCEDVEXKEDZ-UHFFFAOYSA-N	317.336	1.929	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2CCN(CC(F)(F)F)C2)nn1	106336599	XRGARBQWMGFWMO-VIFPVBQESA-N	318.303	1.048	50	20	DDGD	
CN(C)[C@@H]1CCC[C@H](NC(=O)NNc2ccc(Cl)nn2)C1	176628411	GPPMLMCACFVSEN-VHSXEESVSA-N	312.805	1.629	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)[nH]n1	112930878	PBDSGDQZQWERLV-UHFFFAOYSA-N	324.344	1.233	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NNC(=O)CNc1ccccc1	104830112	YLJXRKNVZMZRIN-MJBXVCDLSA-N	318.421	1.507	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)c1cccc2ncccc12	106814330	NJXVJSDYYNZMJN-GFCCVEGCSA-N	313.357	1.977	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCCc1ccco1	66907814	VXWMBFBQTYQVFM-UHFFFAOYSA-N	305.309	1.534	50	20	DDGD	
CCOCCCNC(=O)NNC(=O)C(C)(C)c1ccccc1	67311841	KNIQJXZEYHIGPT-UHFFFAOYSA-N	307.394	1.721	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCc1ccc(Cl)s1	177332706	CSLOHWIOYAMZKV-UHFFFAOYSA-N	324.793	1.870	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NC2CC2)cnn1-c1ccccc1F	68266771	DZYOGNLBBOSULI-UHFFFAOYSA-N	317.324	1.426	50	20	DDGD	
CC[C@H](Cc1ccccc1)NC(=O)NNC(=O)c1cnn(C)c1	117964826	VBAMSDSOTNLCFR-CQSZACIVSA-N	315.377	1.385	50	20	DDGD	
O=C(CN1CCCCCC1=O)NNc1ncnc2ccsc12	178553808	YPQXGMAPBKBLGP-UHFFFAOYSA-N	319.390	1.537	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNc2nnc(C)c(O)n2)c1	23309597	NWGNLEPSKXZHPM-JTQLQIEISA-N	303.322	1.105	50	20	DDGD	
CCc1ccc([C@@H](C)CC(=O)NNC(=O)N2CCOCC2)cc1	172343534	QICRMWRJUVNGIF-ZDUSSCGKSA-N	319.405	1.816	50	20	DDGD	
C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)NNC(=O)c1cnn(C)c1	175870141	VNYSZZNRTVGUIB-ZYHUDNBSSA-N	307.398	1.579	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)C1=CCCCO1	178377334	QDQDSRHPFLQEMY-UHFFFAOYSA-N	312.329	1.532	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)c(F)c1)NNc1ccccc1F	119949831	FAEYBNNLBZRAIG-UHFFFAOYSA-N	323.274	1.977	50	20	DDGD	
CN(NC(=O)Nc1ccc(N2C(=O)CCC2=O)cc1)C1CC1	1344874565	DTPOJPDLIURWKU-UHFFFAOYSA-N	302.334	1.471	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cccc(C2OCCO2)c1	1341457244	VSKWVIXHWVRYTI-UHFFFAOYSA-N	309.391	1.249	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNc2ncc(F)cn2)cc1	123413481	YSKBEVLDDUUQKU-JTQLQIEISA-N	304.325	1.946	50	20	DDGD	
Cc1cc(NNC(=O)Cc2ccc(OCC#N)cc2)nc(C)n1	128768516	NOIUGJMFEUZARS-UHFFFAOYSA-N	311.345	1.682	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)C#N)c1C	125450515	XYHLVFYNUFJJBO-LWHXSLQUSA-N	300.362	1.687	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccncc2F)c(O)c1	184126228	HQJKYSANJVEVFA-UHFFFAOYSA-N	304.281	1.701	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2C[C@@](C)(OC)C2(C)C)n1	181371935	OMPNGODAEIUDLJ-MEBBXXQBSA-N	308.382	1.920	50	20	DDGD	
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NNc2ncccn2)C1	79091514	MPHLVMHTVCUETI-WIFINTHYSA-N	311.411	1.183	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=S)NCCc1cccs1	129890769	TUNVIAGSTUIOEI-JTQLQIEISA-N	315.464	1.601	50	20	DDGD	
COc1ccnc(NNC(=O)c2nc(C(C)C)ncc2Cl)n1	122612563	SBBZFHKSHAWHFK-UHFFFAOYSA-N	322.756	1.809	50	20	DDGD	
CC(C)N(CCNC(=O)NNc1cncc(Cl)n1)C(C)C	125898980	KIGOTBVMKNZNGV-UHFFFAOYSA-N	314.821	1.875	50	20	DDGD	
COCCC1(C(=O)NNc2cc(Cl)nc(N)n2)CCCC1	182789444	GKBVRRJERKIXKA-UHFFFAOYSA-N	313.789	1.752	50	20	DDGD	
O=C(NNC(=O)c1cccnc1-n1cccn1)c1ccccc1	121987619	MXEXSJKDXFLPLG-UHFFFAOYSA-N	307.313	1.342	50	20	DDGD	
C[C@H](CCc1ccccc1F)C(=O)NNC(=O)[C@@H]1CCCO1	79552163	XTYFGUQACSINCW-RISCZKNCSA-N	308.353	1.721	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)C1[C@H]2CCC[C@@H]12	186058031	UUNFCLZFUROICI-HWYHXSKPSA-N	324.402	1.588	50	20	DDGD	
CCN1CCN(C(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)CC1	72205775	ZOAWYEQBQNYBKY-DHDCSXOGSA-N	311.389	1.276	50	20	DDGD	
CN(C)CCOc1cc(C(=O)NNc2ccc(F)cc2)ccn1	183099442	YTONBPJFHYVPQU-UHFFFAOYSA-N	318.352	1.918	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2ccccc2F)c1	181159028	HUZKSZLKNDJONQ-UHFFFAOYSA-N	308.334	1.986	50	20	DDGD	
Cc1cc(NNC(=O)c2n[nH]c3ccccc3c2=O)nc(C)n1	128828896	QRMNFDSKMIFMBS-UHFFFAOYSA-N	310.317	1.087	50	20	DDGD	
CN(C)C(=O)CCCC(=O)NNc1nc(-c2ccccc2)no1	73517474	ZKUWGPRVQIBWIA-UHFFFAOYSA-N	317.349	1.438	50	20	DDGD	
O=C(CS[C@H]1CCS(=O)(=O)C1)NNc1ccc(F)cc1	47832930	VGXGLWCTAWAETE-NSHDSACASA-N	318.395	1.189	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C[C@@H]1CCCCO1	87193612	AENGIUPTTFOCAH-ZDUSSCGKSA-N	306.362	1.344	50	20	DDGD	
CC(C)C[C@H](C)NC(=O)NNC(=O)COc1ccc(C#N)cc1	133534401	GWVUFASRXNTWOD-LBPRGKRZSA-N	318.377	1.702	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1ccc(C(F)(F)F)cn1)C(C)C	131614057	LHTWBTBTNRVAIQ-NSHDSACASA-N	318.299	1.704	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc(OCC(F)F)n1	134093778	AKGIQTNIBPOGHO-QMMMGPOBSA-N	316.308	1.924	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1ccc(Cl)cn1	134488974	YTVIAHCMAKRUCB-UHFFFAOYSA-N	323.711	1.714	50	20	DDGD	
CCSc1cc(Cl)ccc1C(=O)NNC(=O)CN(C)C	131112105	VXOCCZZCWIAZLY-UHFFFAOYSA-N	315.826	1.775	50	20	DDGD	
Cc1nc(CCNC(=O)NNc2ccc(Cl)nn2)cs1	48855351	YPJMPKPMJFISPN-UHFFFAOYSA-N	312.786	1.764	50	20	DDGD	
C=C[C@](C)(CC)C(=O)NNC(=O)Cc1nc2ccccc2n1C	134907193	QDJXUXXOIDLIEU-QGZVFWFLSA-N	314.389	1.866	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NNC(=O)NCc1ccc(Cl)cc1	191608640	FCYBOXFNWILGHS-RYUDHWBXSA-N	311.769	1.595	50	20	DDGD	
O=C(CCOCC(F)F)NNC(=O)c1cccc(Cl)c1	190484070	RIKJQCKFNDPQGD-UHFFFAOYSA-N	306.696	1.773	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(C)(C)O)cc1Br	192929925	LXMLDKCXEAPAQO-UHFFFAOYSA-N	315.167	1.289	50	20	DDGD	
COC[C@H](C)NC(=S)NNC(=O)NCCc1cccs1	144929781	JZIKVKCMLQVPHU-VIFPVBQESA-N	316.452	1.004	50	20	DDGD	
CC(C)=CCNC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	190643192	JKFXUNACYHUOCU-NSHDSACASA-N	309.341	1.890	50	20	DDGD	
CC(=O)c1cccc(OCC(=O)NNC(=O)c2cccn2C)c1	96953472	MBJNOHVQXHQTLM-UHFFFAOYSA-N	315.329	1.068	50	20	DDGD	
C=C(C)COCCNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	255303932	RAHYVASYDQHISC-CHHVJCJISA-N	312.373	1.821	50	20	DDGD	
Cc1ccccc1C(=O)NNS(=O)(=O)C[C@H]1CCCCO1	264658012	QJNAXMXKNONSLI-GFCCVEGCSA-N	312.391	1.128	50	20	DDGD	
Cc1c(NNC(=O)NCCC(=O)N(C)C)cccc1[N+](=O)[O-]	263982974	RCFQFRFMRJINDK-UHFFFAOYSA-N	309.326	1.008	50	20	DDGD	
COc1ccc(O[C@H](C)CNC(=O)NNc2cccnn2)cc1	266624546	VYMYNXARPJZMKA-LLVKDONJSA-N	317.349	1.579	50	20	DDGD	
COC(=O)CSCCC(=O)NNC(=O)c1ccc(C)s1	264411921	FRUIVVKDZMWOAO-UHFFFAOYSA-N	316.404	1.114	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@H]1CCOC2(CCC2)C1	269350579	RLOSQFBYEHYQKV-VIFPVBQESA-N	311.773	1.858	50	20	DDGD	
CNC(=O)[C@H]1CCCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C1	267428728	YHFUDAGNDYXVHP-FEZXJWFHSA-N	314.345	1.917	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)C1C[C@H]2CCC[C@H](C1)C2	365514827	RTKRSUAVUZLDQP-KBPBESRZSA-N	301.390	1.988	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1cnn(-c2ccccc2)n1	274199076	NULWCEJSUFJACP-UHFFFAOYSA-N	318.337	1.829	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)CCCOC(C)C	273086543	RRRVBIFLQMHBJR-UHFFFAOYSA-N	324.377	1.427	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2[C@@H](C)[C@H](OC)C2(C)C)n1	271840323	FYGADZNTZPQWOV-IEBDPFPHSA-N	309.370	1.171	50	20	DDGD	
COc1cccc(NNC(=O)NCC[C@H]2CCO[C@H](C)C2)n1	273125728	SDXIRYQCPNDTCK-NEPJUHHUSA-N	308.382	1.922	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(SC)c([N+](=O)[O-])c1	272716667	YWYBRUKUVDYXKN-UHFFFAOYSA-N	312.351	1.623	50	20	DDGD	
CON(C)C(=O)c1ccc(NC(=O)NNC(=O)C2CCC2)cc1	272898137	ZXZZTZJLPUJZPS-UHFFFAOYSA-N	320.349	1.273	50	20	DDGD	
O=C(NNc1ccc(F)cc1)[C@@H]1CC12CCS(=O)(=O)CC2	274909895	TWVNDRHJSBJRKQ-LBPRGKRZSA-N	312.366	1.484	50	20	DDGD	
CO[C@H]1CN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C[C@H]1OC	277025765	IVINEZFEPLDLOU-MCDRHDKESA-N	304.321	1.605	50	20	DDGD	
COCc1cccc(C(=O)NNC(=S)NCCSC)c1	271370926	ZGXYAFMAAOZSOC-UHFFFAOYSA-N	313.448	1.305	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@@H]2COC3(CCCC3)O2)n1	272599405	TUENNKBBHBLFJZ-LLVKDONJSA-N	322.365	1.402	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CC(C)(C)C#N)c1	278850331	SMEPBDQCUYHGEF-UHFFFAOYSA-N	300.387	1.925	50	20	DDGD	
O=C(NNc1ncccc1F)[C@@H]1CC(=O)N(C2CCCC2)C1	375939546	BNDZGJFLVHBYKG-SNVBAGLBSA-N	306.341	1.455	50	20	DDGD	
Cc1cc(OCC(=O)NNC(=O)CC(C)C)ccc1[N+](=O)[O-]	280464925	FXJZVFWYKUQSBR-UHFFFAOYSA-N	309.322	1.476	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	282824909	OJDYEUDGNDCROR-UHFFFAOYSA-N	319.361	1.064	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	284943609	JZFGZDYXLWAUPX-ZUZCIYMTSA-N	307.325	1.680	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)N[C@H](C)CN1CCOCC1	283113415	XRPOKKXEZHONKY-CQSZACIVSA-N	320.437	1.904	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	285158806	YBUXSMZNLQAYDM-BMIGLBTASA-N	307.325	1.680	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)Cc1ccc(F)c(Cl)c1	289055709	YJNRADWASJWDQT-UHFFFAOYSA-N	310.734	1.512	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccncc2C(F)(F)F)n1	800696391	RZVRFMBWFTUYKD-UHFFFAOYSA-N	324.262	1.879	50	20	DDGD	
CC1(CNC(=O)NNc2ncc(F)cc2F)CCOCC1	298043778	UGCNZHHXNBGRMB-UHFFFAOYSA-N	300.309	1.803	50	20	DDGD	
C#Cc1cncc(C(=O)NNC(=O)Cc2ccccc2OC)c1	806558451	CUEBAPOFUALXQQ-UHFFFAOYSA-N	309.325	1.075	50	20	DDGD	
Cc1ccsc1CCCC(=O)NNC(=O)N1CCN(C)CC1	807382436	CNXGPHJMIUWKOP-UHFFFAOYSA-N	324.450	1.367	50	20	DDGD	
CCOC(=O)C[C@H](C)CNC(=O)NNc1ncc(F)cc1F	297291110	LSPNWGXFXWHSAC-QMMMGPOBSA-N	316.308	1.575	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)[C@@H]2CCCCO2)c1C	295694703	HTDWOIHWBPTDNJ-HNNXBMFYSA-N	320.389	1.789	50	20	DDGD	
Cc1nc2ccc(NC(=O)NNC(=O)[C@@H]3CCCCO3)cc2o1	296413037	RNJPQSOPYGIZJB-LBPRGKRZSA-N	318.333	1.858	50	20	DDGD	
O=C(CCCNC(=O)c1ccccc1)NNc1cccc(F)n1	804772510	KCKSXKYNXGPORQ-UHFFFAOYSA-N	316.336	1.874	50	20	DDGD	
Nc1nc(C2CC2)ncc1C(=O)NNc1cnc2ccccc2n1	807425787	CDBBZOFDWGJWMO-UHFFFAOYSA-N	321.344	1.636	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)O1	293190819	UHBGJACNUHJZIA-KWBADKCTSA-N	310.325	1.308	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2CCCSC2)c1	809948932	RXEWXXFFCZLPMV-JTQLQIEISA-N	324.402	1.608	50	20	DDGD	
Cc1nc2c(cc1C(=O)NNC(=O)OC(C)(C)C)c(C)nn2C	298288302	DIYUJDZHZIQPMK-UHFFFAOYSA-N	319.365	1.755	50	20	DDGD	
CCC1=C(C(=O)NNc2ccc(-n3ccnc3)nn2)CCCO1	804957001	LGOOETUEYCSGMP-UHFFFAOYSA-N	314.349	1.580	50	20	DDGD	
O=C(COc1cccc([N+](=O)[O-])c1)NNc1cccc(F)n1	804770488	DIOWSWZCRHEGFJ-UHFFFAOYSA-N	306.253	1.651	50	20	DDGD	
CC(C)N(C)C[C@@H](C)NC(=O)NNC(=O)Cc1ccccc1F	811954214	QLVAHAAYDLZMBH-GFCCVEGCSA-N	324.400	1.427	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Nc2ccn3ccnc3c2)cc1	810231687	KEIXLSPBYAJCFK-UHFFFAOYSA-N	320.312	1.672	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Cc2cccc(Cl)c2F)cn1	810417467	KNECUMOVHCRSAT-UHFFFAOYSA-N	310.716	1.216	50	20	DDGD	
Cc1nc2c(c(O)nn2C)c(C)c1CCC(=O)NN(C)C1CC1	819648898	WKXZLNXKAJLEPD-UHFFFAOYSA-N	317.393	1.349	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	813470466	IRBKQAYQPBCFMG-UHFFFAOYSA-N	302.290	1.220	50	20	DDGD	
CCc1noc2ncc(C(=O)NNc3ncncc3F)cc12	817081846	KLCZPNCQHAKOGC-UHFFFAOYSA-N	302.269	1.471	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1	815159219	MYNCMSCOWGBPDO-BTFPBAQTSA-N	307.438	1.546	50	20	DDGD	
Cc1cc(Br)oc1C(=O)NNc1cnnn1C	816769733	UHLXPBQKMRIRQQ-UHFFFAOYSA-N	300.116	1.236	50	20	DDGD	
CN1CCCC[C@@H](C(=O)NNc2ccc(C#N)c(Cl)c2)C1=O	821887835	MTUAUBJUTFAJLY-LBPRGKRZSA-N	320.780	1.913	50	20	DDGD	
CCN(CCO)NC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C	823860639	WTWRQXQBXFBJJH-GFCCVEGCSA-N	315.414	1.121	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CNc1ccc(C)cc1C	824044810	XZCBNDVAYDLVNI-HIFRSBDPSA-N	317.389	1.454	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CN1CCCC1=O)c1cccc(Cl)c1	827831794	HTCGTVQKTSQYTL-SNVBAGLBSA-N	323.780	1.213	50	20	DDGD	
O=S(=O)(CCl)N[C@@H](CN1CCOCC1)c1ccccc1	829935614	KGWHBSZCMOMOCS-ZDUSSCGKSA-N	318.826	1.176	50	20	DDGD	
N#Cc1ccccc1C=NNC(=O)c1cccc(-c2nn[nH]n2)c1	826387410	UCKMDHIIOJYUOS-UHFFFAOYSA-N	317.312	1.502	50	20	DDGD	
Cc1cnc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c(C)c1	826318067	UTGACDCPWBTJEJ-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)c2ccccc2F)c2c1CCCC2	823602023	HCZKAXOJBZMYPV-UHFFFAOYSA-N	316.336	1.513	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)COc1ccc(Br)cc1	823993814	WODBGZRSWLBFIB-SECBINFHSA-N	317.183	1.172	50	20	DDGD	
C[C@@H]1SCC[C@@H]1NC(=O)NNC(=O)c1ccc(C#N)cc1	825814555	FVDIDEGEQPJIAC-CABZTGNLSA-N	304.375	1.396	50	20	DDGD	
O=C(NCC1CC1)NNS(=O)(=O)c1cccc2ccoc12	829763531	NDMZFDVSHDKNQT-UHFFFAOYSA-N	309.347	1.335	50	20	DDGD	
CCCNC(=O)NNC(=O)Cn1cc(C=O)c2ccccc21	822799878	KVIRAZXGQBWIOQ-UHFFFAOYSA-N	302.334	1.194	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2ccccc2F)nn1C(C)C	823208819	NDGXQCUFMOOQPL-UHFFFAOYSA-N	318.352	1.915	50	20	DDGD	
Cc1cccc(F)c1CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	826097989	QDDOXPJCSDNNAA-MNOVXSKESA-N	309.341	1.390	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=C1CC[C@H]2CCCC[C@@H]2C1	728435799	ACSUOHGHWQJELR-QJPTWQEYSA-N	315.439	1.387	50	20	DDGD	
COC[C@H](C)CNC(=O)NNC(=O)Cc1ccc(Cl)cc1	728958283	AXLBFZXVJWMQPK-SNVBAGLBSA-N	313.785	1.495	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C	823852884	QPMOVCWMHAEMHR-HNNXBMFYSA-N	305.378	1.307	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC(C1CCC1)C1CCC1	826783700	GDDWCLSWYVIXRU-GXFFZTMASA-N	309.410	1.711	50	20	DDGD	
Cc1cccc(C2(NCC(=O)NNC(=O)C3CC3)CCCC2)c1	733795041	TWFCUZLSQYRCDV-UHFFFAOYSA-N	315.417	1.911	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@](C)(C#N)CC(=O)O)c1ccccc1	820261426	KTFRZQXOODLLOP-WBMJQRKESA-N	317.345	1.332	50	20	DDGD	
O=C(NCc1ccc(C2CCC2)cc1)c1cccc(B(O)O)c1	584982241	JFJGEYYPRVMZSC-UHFFFAOYSA-N	309.174	1.564	50	20	DDGD	
CC(C)(CNC(=O)[C@@]1(C)C[C@H]1Br)N1CCOCC1	905210670	RGQRUKHSJLKBOI-MFKMUULPSA-N	319.243	1.387	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CC[C@@H](CC2CCCC2)C1	584975383	BVQTUIFCHKNIIB-AWEZNQCLSA-N	301.195	1.409	50	20	DDGD	
CCN1CCC(CNC(=O)NNc2cccc(C(=O)O)c2)CC1	833659156	YSLYAZVFPBWDGW-UHFFFAOYSA-N	320.393	1.743	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CSC[C@H](C)C(=O)O)cc1	738513971	YYMDKDYIBMAOQR-JTQLQIEISA-N	310.375	1.210	50	20	DDGD	
O=C(NC[C@@H]1CCCCS1)NNC(=O)[C@@H]1CCCCO1	836429158	KUSIRIPJLIHQJU-QWRGUYRKSA-N	301.412	1.172	50	20	DDGD	
C[C@@]1(NS(=O)(=O)CBr)CCCC[C@@H]1C(=O)O	833571470	ZVSRNOUOSAKXBC-VXNVDRBHSA-N	314.201	1.292	50	20	DDGD	
C[C@@H](CSc1ccc(F)cc1)C(=O)N1CC[C@@H](B(O)O)C1	585065623	HXVKPHLVFGDORA-WDEREUQCSA-N	311.187	1.629	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NNC(=O)C2=CC[C@@H](C)CC2)c1	839709615	NAFMLCHWPSHEHQ-SNVBAGLBSA-N	316.361	1.547	50	20	DDGD	
CC(=O)NC[C@H](CC(=O)NNc1ncccc1F)CC(C)C	831810874	ZBHVYIRMJGENBL-LBPRGKRZSA-N	310.373	1.852	50	20	DDGD	
C[C@@H]1CC(=O)Nc2ccc(C(=O)NNC(=O)CC3CC3)cc2N1	908447987	GMPQCJOJWLDNEB-SECBINFHSA-N	316.361	1.390	50	20	DDGD	
CO[C@@H]1COCC[C@@H]1CNC(=O)NNc1c(F)cccc1F	838659944	RISLJBLLZYFQGM-BXKDBHETSA-N	315.320	1.642	50	20	DDGD	
COc1cccc(C)c1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	831735616	RFYCUIKXSYRYEG-GHMZBOCLSA-N	307.350	1.581	50	20	DDGD	
Cc1cc([C@H](C)NCc2ccccc2B(O)O)cc(C)c1F	585028785	NBIOCYAOZZQMRD-ZDUSSCGKSA-N	301.170	1.973	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H]2CCC[C@@H]2C(=O)NC)cc1	838534664	PKYJYKTYQRVNEE-KBPBESRZSA-N	320.393	1.626	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1cccc2c1OCC2	901214504	BXKSXRQCRNZEOA-UHFFFAOYSA-N	319.361	1.596	50	20	DDGD	
CN(CC(=O)Nc1cc(F)cc(F)c1)S(=O)(=O)CCl	830361319	IUXKEYNTCPDVCX-UHFFFAOYSA-N	312.725	1.361	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCC[C@H]1CCc1ccccc1	584933282	YTSKNHDZXICFJK-SFHVURJKSA-N	323.201	1.604	50	20	DDGD	
Cc1ccc(F)c(C=NNC(=O)[C@@H](C)CN2CCOCC2)c1	734978482	JLRDLPLYYPJWHU-ZDUSSCGKSA-N	307.369	1.553	50	20	DDGD	
O=C(O)COc1cccc(C=NNC(=O)CC(F)(F)F)c1	733203465	KYBACAJBVBSSKU-UHFFFAOYSA-N	304.224	1.553	50	20	DDGD	
CC(=NNC(=O)C(N)=O)c1ccc(Oc2ccccc2)c(F)c1	917531869	GYIGLNFDHJHRIC-UHFFFAOYSA-N	315.304	1.944	50	20	DDGD	
Cc1cc(OCC(=O)NNC(=O)c2cn[nH]c2)ccc1Cl	916093101	FALILJSGVJFVHC-UHFFFAOYSA-N	308.725	1.212	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2cccc(C(=O)O)n2)c1	833728505	FSLQOLLWVXYAPW-UHFFFAOYSA-N	305.265	1.684	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2cccc(C(=O)OC)c2F)CC1	837059971	CZEKFBHMSZEZGU-UHFFFAOYSA-N	324.308	1.399	50	20	DDGD	
COCCN(C)CCNC(=O)NNc1ccc(Cl)cc1C	916332380	VGLSZQPUYSOLLZ-UHFFFAOYSA-N	314.817	1.853	50	20	DDGD	
CCn1ccnc1C(C)=NNC(=O)CNc1ccccc1OC	834920665	NYONOJIKBRUPQF-UHFFFAOYSA-N	315.377	1.864	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(F)cc([N+](=O)[O-])c2)n1	746628157	VEXKBIQQXXSUAH-UHFFFAOYSA-N	321.268	1.598	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccn1)[C@@H]1[C@H]2CCCO[C@H]21	832967951	FFDAOCOHFMWDLP-FBIMIBRVSA-N	301.268	1.969	50	20	DDGD	
Cc1cc(C)cc(N2CC[C@@H](C(=O)NN(C)C[C@H](C)O)C2=O)c1	910167475	GMOUBHAOXSDDPZ-ZFWWWQNUSA-N	319.405	1.000	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNc2cc(F)cc(OC)c2)n1	748907833	HDFFTMIONLMCSY-UHFFFAOYSA-N	319.292	1.773	50	20	DDGD	
Cc1c(C(=O)NN(C)C[C@H](C)O)nnn1-c1cccc(Cl)c1	910170117	YMNVYRRMVJAFIK-VIFPVBQESA-N	323.784	1.187	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)CCc2ccccc2)CCN1	841988926	XIWAGQNRXUHYOW-OCCSQVGLSA-N	304.394	1.090	50	20	DDGD	
CO[C@@]1(C=NNC(=O)[C@H](C)Oc2cccc(C)c2C)CCOC1	841613036	QSGYMXHSVSPKDY-WMLDXEAASA-N	320.389	1.978	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccccc1OC(F)F	843650167	ZLVPJFIBBWGQLK-IUCAKERBSA-N	314.288	1.474	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1c(C)n[nH]c1C	915942314	PWEXFWRDQLHRAZ-UHFFFAOYSA-N	302.334	1.564	50	20	DDGD	
C[C@H](CC(=O)NN=c1cc[nH]cc1)n1cc(Br)cn1	843851774	QSKUSGBNDZCEKL-SECBINFHSA-N	324.182	1.557	50	20	DDGD	
C[C@](CNC(=O)NNC(=O)C1CCC1)(C(=O)O)c1ccccc1	846128699	KHDUOMGLFBHANP-MRXNPFEDSA-N	319.361	1.159	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@]2(O)CCOC2)cc1C(F)(F)F	840402599	ZXUFKPKZCAMWLE-GFCCVEGCSA-N	315.251	1.172	50	20	DDGD	
Cc1noc(C)c1C=NNC(=O)c1cccc(S(C)(=O)=O)c1	915051986	BVPIXLLLIRXSJO-UHFFFAOYSA-N	321.358	1.459	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccc3c(c2)CCCN3)nn1	842000845	MJAGJKGDTMNXOI-UHFFFAOYSA-N	312.377	1.969	50	20	DDGD	
C[C@H]1CC[C@H](C)N1CC(=O)NNC(=O)c1cccc(N(C)C)c1	741139113	AJWMXWUPRDFOHL-STQMWFEESA-N	318.421	1.386	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1ccccc1)NC(=O)OC(C)(C)C	742466252	UVAPQTLHCMOFPU-LLVKDONJSA-N	321.377	1.751	50	20	DDGD	
C[C@H](NC(=O)NNc1cccnn1)[C@@H]1C[C@H](C(=O)O)C1(C)C	848595522	HYKTYYRRMSMHGO-LPEHRKFASA-N	307.354	1.238	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cc(F)c(O)c(F)c1	749861130	FNAGVTAXHZTUBY-MRVPVSSYSA-N	302.277	1.172	50	20	DDGD	
CCn1nccc1C(=O)NNc1ccc(CC(=O)OC)cc1	846378604	YWPGSDCMYHSBQO-UHFFFAOYSA-N	302.334	1.375	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCc2ccccc2C1	844619564	HOFGRLBGUJOHLS-NILFDRSVSA-N	302.374	1.364	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H](CN)CC(C)C)cc1	841954562	SZJJJYIBIPGMCR-ZDUSSCGKSA-N	322.409	1.078	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)c2cccc(C#N)c2)n(C)n1	746518124	OCDOHSPMDOILCI-UHFFFAOYSA-N	311.345	1.490	50	20	DDGD	
CC(=O)Nc1ccc(C(C)=NNC(=O)[C@H]2CCO[C@@H]2C)cc1	842561520	LCBGTJHCHHFXSB-ABAIWWIYSA-N	303.362	1.910	50	20	DDGD	
COC[C@]1(C)CCN(C(=O)NNC(=O)c2cc(C)cs2)C1	858706851	BLCYKIUARQHYCN-CQSZACIVSA-N	311.407	1.769	50	20	DDGD	
CC(=O)N[C@H](C(=O)NC[C@]1(C)C[C@H]1Br)C(C)(C)C	857386249	SEVBVUGQQJIJAZ-BREBYQMCSA-N	319.243	1.827	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)N[C@H]1CC[C@H](O)CC1	753717462	FIERKNQWSAEZSP-HDJSIYSDSA-N	305.378	1.253	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(OC)cc1C(F)(F)F	755933292	SSPHKDMHMQCFLT-UHFFFAOYSA-N	321.255	1.513	50	20	DDGD	
CC1CCN(C[C@H](C)NC(=O)NNC(=O)CC(C)(C)C)CC1	852602145	CXHNQJUPCSBFTM-ZDUSSCGKSA-N	312.458	1.873	50	20	DDGD	
CSc1cc(C(=O)NNc2ccnc(N(C)C)n2)c(C)o1	857133631	YSYMTITYZCDQFC-UHFFFAOYSA-N	307.379	1.923	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Cc2nnc(C)s2)cc1	854215772	MUSXOACCRXYTQB-UHFFFAOYSA-N	304.375	1.413	50	20	DDGD	
CSc1ccccc1NC(=O)NNC(=O)c1c[nH]nc1C	755388522	GUZHZARCGKHDQH-UHFFFAOYSA-N	305.363	1.907	50	20	DDGD	
COC1(C(=O)NNC(=O)Cc2ccc(Cl)cc2)CCCC1	754174466	UGYZKXDKZJVXBC-UHFFFAOYSA-N	310.781	1.989	50	20	DDGD	
C[C@@H]1COC[C@H]1NC(=O)NNC(=O)Cc1ccc(Cl)cc1	925992790	SABBSJAOVKDROR-BXKDBHETSA-N	311.769	1.248	50	20	DDGD	
CC(=O)N1CCN(C[C@@H](CBr)C2CC2)[C@H](C)C1	859165925	NEGUQCVSAGUVLD-ZWNOBZJWSA-N	303.244	1.960	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)c1ccccc1)CC1(C)OCCO1	758855285	DXGMXXVYDZWMHG-LBPRGKRZSA-N	321.377	1.420	50	20	DDGD	
CN(C[C@@H]1COCCO1)C(=O)/C(C#N)=C/c1ccc(F)cc1	855678338	HPEMUGZDPCBHGA-XETPBLJFSA-N	304.321	1.606	50	20	DDGD	
COCCOc1cc(C(=O)NNC(C)=O)nc2ccccc12	759756060	CJGAOCXVSUQAMO-UHFFFAOYSA-N	303.318	1.041	50	20	DDGD	
Cc1cc(C)cc(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	852394575	UWOGCGGSHXODEU-GXTWGEPZSA-N	305.378	1.559	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(C(=O)OC(C)(C)C)cn1	854928134	XUWJCSCPFFCBEM-UHFFFAOYSA-N	324.406	1.118	50	20	DDGD	
Cc1nn(C)c(Cl)c1C(=O)NNC(=S)N[C@H](C)C1CC1	855102753	NAYLVKRHIDAOJK-ZCFIWIBFSA-N	315.830	1.289	50	20	DDGD	
CON=Cc1ccc(C(=O)NNC(=O)CC(F)(F)F)cc1	855002331	SOHKTTBTGWHIHH-UHFFFAOYSA-N	303.240	1.380	50	20	DDGD	
CCN1CCC[C@H](NC(=O)/C(C#N)=C/c2ccc(F)cc2)C1=O	928875142	PJISGHVWWMIALF-VOMSXAGXSA-N	315.348	1.860	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC2(CCCC2=O)CC1	852630644	GQVIFPDIWVTHBR-ZDUSSCGKSA-N	323.437	1.404	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)c1	759310084	CRRHIUZAMPBGOK-SNVBAGLBSA-N	323.368	1.924	50	20	DDGD	
C[C@]1(CN2C(=O)N[C@H](c3cccnc3)C2=O)C[C@@H]1Br	857227489	OEOUIPMJSWVLPK-OPQQBVKSSA-N	324.178	1.848	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CC(C)(C)C)c(OC)n1	756254119	RVKKZZDTCZYSKH-UHFFFAOYSA-N	310.354	1.688	50	20	DDGD	
Cc1ccc(S(=O)(=O)NC[C@@]2(C)C[C@@H]2Br)cn1	856754373	HKOFHYFCVVJTOF-WDEREUQCSA-N	319.224	1.842	50	20	DDGD	
N#CSCCCNC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1	854363144	NGFKAEJPMZUNMR-LBPRGKRZSA-N	309.435	1.888	50	20	DDGD	
CO[C@H]1Cc2ccc(NC(=O)NNC(=O)CC3CC3)cc2C1	758056523	MYEZQGZKCAFPLG-AWEZNQCLSA-N	303.362	1.753	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)Cc2ccc3c(c2)COC3)n1	758595508	YXVQIXQJRXXDQA-UHFFFAOYSA-N	319.752	1.428	50	20	DDGD	
COC[C@@]1(C)CCN(C(=O)NNC(=O)c2cc(C)cs2)C1	858706850	BLCYKIUARQHYCN-AWEZNQCLSA-N	311.407	1.769	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCCN2C=O)c(Cl)c1	854380132	ZBZYWPZVCGRILA-LBPRGKRZSA-N	324.768	1.422	50	20	DDGD	
COc1c(F)ccc(F)c1C(=O)NNC(=O)CC(F)(F)F	755693264	FYFUFVVJRDMRBQ-UHFFFAOYSA-N	312.194	1.687	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	858218155	INFICJHVNIAIHS-ZDUSSCGKSA-N	322.361	1.424	50	20	DDGD	
CN1CCCC[C@@H](CNC(=O)NNc2ccc(Cl)nn2)C1	858767445	BVDZCITWFKTJSB-JTQLQIEISA-N	312.805	1.488	50	20	DDGD	
CC(C)(C)NCCC(=O)NNC(=O)CCCc1ccccc1	931780471	CFTZFANKSYXNJG-UHFFFAOYSA-N	305.422	1.935	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@@H](c1ccccn1)C1CC1	932382282	QSICDJHMBBMATP-MLGOLLRUSA-N	318.421	1.704	50	20	DDGD	
CCC(C#N)(CC)C(=O)NNc1nc2ccccc2c(=O)n1C	859371273	OTIGNFGMIBHSBC-UHFFFAOYSA-N	313.361	1.707	50	20	DDGD	
O=C(O)C1(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])CCC1	852945583	GNGJPXNDEGZDFH-UHFFFAOYSA-N	313.697	1.946	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CCCCC1(C)C	757766077	WFQOFEYOPCUUSM-VXGBXAGGSA-N	315.414	1.337	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)OCC(F)(F)F)c1cnn(C)c1	856025981	HHGJJPYZOONSNC-SSDOTTSWSA-N	308.260	1.233	50	20	DDGD	
N#CSCCCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21	854363054	JTTOEVUKKUYUKF-UHFFFAOYSA-N	319.346	1.665	50	20	DDGD	
Cn1c(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])cccc1=O	756929227	AOEHBYBFNRVXEF-UHFFFAOYSA-N	322.708	1.704	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=S)NC[C@@H]1CCCCO1	758185975	WAENWUZAMPVOIK-ZDUSSCGKSA-N	322.434	1.163	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)c1cnn(CCF)c1	862288328	KLIRLMAGWMQRCX-UHFFFAOYSA-N	320.324	1.766	50	20	DDGD	
O=C(C[C@@H]1CC(=O)Nc2ccccc21)NNC(=O)C1CCCC1	930132819	CDNZWUDLSMVRQV-LBPRGKRZSA-N	315.373	1.840	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2c(=O)o1)c1ccccc1	763899237	PQRZXCJUUMDSCQ-UHFFFAOYSA-N	308.293	1.868	50	20	DDGD	
N#Cc1cnc(C(=O)NNC(=O)c2cccnc2)c(Cl)c1	769464748	YBZVJMOXNBCMQO-UHFFFAOYSA-N	301.693	1.076	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCCOC[C@H]1CCCO1	866792781	ANHJGNSUKBYBSC-LLVKDONJSA-N	313.847	1.366	50	20	DDGD	
O=C(CCCCO)NNC(=O)c1cc2c(s1)CCCCC2	864538546	WUQZJKWPBATSTF-UHFFFAOYSA-N	310.419	1.941	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1	763437756	GKZGNFFDGQMLIZ-UHFFFAOYSA-N	321.230	1.340	50	20	DDGD	
O=C(Cc1ccccc1Cl)NNC(=O)c1cccc(F)n1	764157711	RXCAPMFCTSJURP-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
CCc1nn(C)c(Cl)c1C(=O)NNC(=O)Cc1ccncc1	767647740	SGJKFGKLBZCBGC-UHFFFAOYSA-N	321.768	1.035	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H]2CCc3ccccc3C2)n[nH]1	869019143	SPLIHSVTJDCFCQ-CQSZACIVSA-N	312.373	1.213	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC(C)C)cnc1Br	930995979	JKKQEJRYCWVITC-UHFFFAOYSA-N	315.171	1.505	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H]1CCN(Cc2ccccc2)C1=O	935620114	CWOXLMRKPZNCIU-HNNXBMFYSA-N	324.384	1.882	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(C)C[C@H](C)NC(=O)OC(C)(C)C	863684540	GLSNBFDRYCUVIJ-OCUQMRJBSA-N	311.382	1.802	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1ccc(C(C)(C)O)cc1	767381336	ZITNBESZUBTXTE-UHFFFAOYSA-N	307.394	1.974	50	20	DDGD	
O=C1N[C@@H](C(=O)NNc2ccc(OC(F)F)cc2)CCO1	860325897	OGQYQJZDDZXDKA-SECBINFHSA-N	301.249	1.230	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1ccoc1	767274596	KWWBBEYEUSHFFY-UHFFFAOYSA-N	316.313	1.135	50	20	DDGD	
COc1cc(NC(=O)NNCC(F)(F)C(F)(F)F)[nH]n1	861379753	RCVVAHQTVJKTJU-UHFFFAOYSA-N	303.191	1.242	50	20	DDGD	
O=C(Cc1ccncc1)NN=Cc1cccc(-n2cccn2)c1	760260847	VSJTXBDECGRCON-UHFFFAOYSA-N	305.341	1.960	50	20	DDGD	
CCc1c(C(=O)NNc2cc(C#N)cc(Cl)n2)cnn1C	768707266	KUXWCJQYUFMMMF-UHFFFAOYSA-N	304.741	1.659	50	20	DDGD	
CCCOc1cccnc1C(=O)NNC(=O)c1cccnc1	760049388	FGDYASGANUZEKG-UHFFFAOYSA-N	300.318	1.340	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CCC(=O)N1)c1ccc2c(c1)CCO2	863145972	RSXOQOUWZNLEKT-CYBMUJFWSA-N	301.346	1.130	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H]2CCc3cccnc32)c1	862479181	FWPOTHBAYCWLGT-NSHDSACASA-N	301.371	1.943	50	20	DDGD	
CC(=NN(C)C(N)=O)c1ccc(S(=O)(=O)C(F)F)cc1	767907554	JVESUNRKDPICIQ-UHFFFAOYSA-N	305.306	1.417	50	20	DDGD	
O=C(/C=C/CCc1ccccc1)NNC(=O)[C@H]1CCCCO1	868619577	PHYSDIZGBSJOQN-FDYAIDJWSA-N	302.374	1.892	50	20	DDGD	
O=C(CC(F)(F)F)NN=Cc1n[nH]c2cc(C(=O)O)ccc12	765572978	GUTSPPRYDZTTSA-UHFFFAOYSA-N	314.223	1.664	50	20	DDGD	
CC[C@@]1(C(=O)NNc2cc(F)c(F)cc2F)CCNC1=O	866879224	QGKVFYSJDOWEPC-CYBMUJFWSA-N	301.268	1.463	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccc(-n2cnnn2)cc1	768500756	ULZWNOBOKQELAG-UHFFFAOYSA-N	320.316	1.296	50	20	DDGD	
CNC(=O)NNS(=O)(=O)c1oc2ccc(F)cc2c1C	760343197	DVRVBTXTCMIEBF-UHFFFAOYSA-N	301.299	1.003	50	20	DDGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCN(CCC#N)CC1	879601054	ZYPOXWUJNCASMF-OMCISZLKSA-N	311.345	1.991	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccn1	773691362	FJHMZEBWLUDXEZ-SNVBAGLBSA-N	314.301	1.555	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NN=Cc1cnsc1	872388519	IFICADXTILCKOD-DGCLKSJQSA-N	319.390	1.495	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H]1CCN(c2ccccc2)C1	1117777782	DXAMYDZDVUMBQO-LBPRGKRZSA-N	306.435	1.417	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@H](C)c1ccccc1C	772135639	IDEBCJYJXATXRZ-STQMWFEESA-N	320.389	1.978	50	20	DDGD	
COc1ccnc(C=NNC(=O)CCN2CCC(C)CC2)n1	1118236324	GQZNGALGKUDYBW-UHFFFAOYSA-N	305.382	1.057	50	20	DDGD	
O=C(NNc1cnccn1)c1cc(F)ccc1N1CCOCC1	775277421	BIFKZECJNDOYJD-UHFFFAOYSA-N	317.324	1.209	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](F)Cc1ccccc1	777984829	ZRTBKACYDVIFAY-ZDUSSCGKSA-N	323.368	1.019	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCC(C)CC1)c1cn(C)cn1	872335606	RYAKVGJMWHTBQT-ZDUSSCGKSA-N	305.426	1.628	50	20	DDGD	
CN1C(=O)CC[C@H]1C(=O)NNc1ncc(Cl)cc1Cl	775266076	CZVIEPJIJDDBLH-QMMMGPOBSA-N	303.149	1.452	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C)c([N+](=O)[O-])c1	771876366	VOEWZHQWURLJGY-SECBINFHSA-N	323.305	1.006	50	20	DDGD	
COC(=O)C(=O)NNC(=O)NCC(C)(C)c1ccc(C)cc1C	1117714728	KZZNZGGTCOCWLL-UHFFFAOYSA-N	321.377	1.084	50	20	DDGD	
COCC[C@@H](NC(=O)CCCC[C@@H]1CCSS1)C(N)=O	775975792	KVWGUEKPCAOWPX-GHMZBOCLSA-N	320.480	1.707	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C(C)(C)c2cccnc2)nc1	778398432	LYHHPJLTGJQFGJ-UHFFFAOYSA-N	314.345	1.684	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)CSCc2cccs2)nn1	1116253532	UZDDMZSMMVNWBQ-UHFFFAOYSA-N	323.403	1.014	50	20	DDGD	
CCN(CCO)NC(=O)[C@H]1CCCCN1Cc1cccc(C)c1	1119104878	OMLHLQMXIVNTAJ-QGZVFWFLSA-N	319.449	1.695	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1coc(-c2ccccc2)n1	1116516071	YPJGHMBTEAKQHF-UHFFFAOYSA-N	302.334	1.577	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)O1	772188674	SFGSBASINJGGMX-TUAOUCFPSA-N	314.382	1.069	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc(Cl)c(Cl)c1	779821076	NJQVIZYZIZDWHC-UHFFFAOYSA-N	304.133	1.800	50	20	DDGD	
Cc1ocnc1CNC(=O)NN=c1sc2ccccc2n1C	770806724	NQOJZADGBQLCJL-UHFFFAOYSA-N	317.374	1.851	50	20	DDGD	
COC(=O)CCc1cccc(NC(=O)NNC(=O)C(C)(C)C)c1	881094174	CHQYMPIYNNGVOJ-UHFFFAOYSA-N	321.377	1.991	50	20	DDGD	
C[C@H](NS(=O)(=O)CCCCl)[C@H](O)c1cccc(F)c1	881965175	ULHWKIKGEGLFKP-CABZTGNLSA-N	309.790	1.796	50	20	DDGD	
Cn1ccnc1CCC(=O)NNc1ccc(C(F)(F)F)cn1	1123789367	HEMKRZNKOFSEGX-UHFFFAOYSA-N	313.283	1.910	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cccc([C@@H]2CCOC2)c1	887145369	BDHRTXOITHYPQZ-OAHLLOKOSA-N	300.358	1.755	50	20	DDGD	
CC[C@H]1C[C@@H](C(=O)NNC(=O)c2ccc(C)c(O)c2)CCO1	882050056	MZDCPDKTDAIJGS-STQMWFEESA-N	306.362	1.667	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCC(c3cncn3C)CC2)cn1	1124126062	BYIJXZGICCVCRP-VIZOYTHASA-N	324.388	1.467	50	20	DDGD	
C[C@@H](CN(C)S(=O)(=O)CCCCl)C(=O)OC(C)(C)C	882254311	AKYPWZZMTKRVTQ-JTQLQIEISA-N	313.847	1.855	50	20	DDGD	
CC(=O)N[C@@H](C(=O)OC[C@]1(C)C[C@H]1Br)C(C)C	1123143061	VTNUEVYRDSBZNE-FOGDFJRCSA-N	306.200	1.864	50	20	DDGD	
CC(C)(O)CCC(=O)NNC(=O)c1ccc(Cl)cc1F	787409705	GTEFKMHCYLNLTL-UHFFFAOYSA-N	302.733	1.791	50	20	DDGD	
CC(=O)NCc1cn([C@]2(Cl)C[C@H]2CCBr)nn1	881382977	RVNXXAZGCLPPIG-PSASIEDQSA-N	321.606	1.611	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cccc2c1OC(C)(C)CC2=O	880453795	RNKOQTWQKBDITO-UHFFFAOYSA-N	305.334	1.993	50	20	DDGD	
CO[C@H](C(C)=NNC(=O)CN1CCCC1=O)c1ccccc1	782168340	CRHSRCWWTGPTON-MRXNPFEDSA-N	303.362	1.489	50	20	DDGD	
CN1CCC[C@H]1c1cc(C(=O)NNc2ncncc2Cl)n[nH]1	897499933	RVXAXDQGAUIEDJ-NSHDSACASA-N	321.772	1.377	50	20	DDGD	
COC(=O)[C@H](C)Oc1ccc(C=NNC(=O)C(F)F)cc1	782237830	OETHKLFSIUHDIL-QMMMGPOBSA-N	300.261	1.342	50	20	DDGD	
Cc1sc2ncc(C(=O)N3CC=C(C#N)CC3)c(=O)n2c1C	780689016	QXVHPABBEFGEDD-UHFFFAOYSA-N	314.370	1.669	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H](C)Cc1ccc(OC)c(OC)c1	781325206	VYQSLLIHJORFFO-LLVKDONJSA-N	323.393	1.623	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC2(C1)OCCO2	781083558	IOVALCXEBYTSOF-VIFPVBQESA-N	306.200	1.771	50	20	DDGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2ncnn2C)cc1	899369249	SHOOHPSXPYGPSL-ZWSXMNCCSA-N	311.345	1.608	50	20	DDGD	
CC1(C)CCN(CCNC(=O)NNc2cccc(C#N)c2)C1	898589483	ZZHWOTKWEIVDPP-UHFFFAOYSA-N	301.394	1.916	50	20	DDGD	
CSCc1ccccc1NC(=O)C(=O)NNc1cccnn1	784857937	AEAWOCHYMXUVBA-UHFFFAOYSA-N	317.374	1.421	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccnc(Cl)c1F	798316268	MJCPURURBFDEDG-UHFFFAOYSA-N	314.626	1.380	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NCC(F)(F)F)cnn1C(C)C	798314758	ZVRUWQKKHODACE-UHFFFAOYSA-N	307.276	1.279	50	20	DDGD	
CC(C)(CNS(=O)(=O)CBr)CN1CCCC1	790935845	MBSNZMWNUJKQSB-UHFFFAOYSA-N	313.261	1.380	50	20	DDGD	
CC(=NNC(=O)COc1cccc(C)c1)c1cc(C)n(C)n1	799868671	RATZNLMBQJJUFS-UHFFFAOYSA-N	300.362	1.956	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2cc(C)c(C)o2)c1	1319250426	PUVLSDCSCDMVHC-UHFFFAOYSA-N	318.329	1.988	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)[nH]1	1319641086	SRQLVCGTIAATDV-UHFFFAOYSA-N	301.350	1.308	50	20	DDGD	
Cc1c(Cl)cccc1OCC(=O)NNC(=S)NC(C)C	1318962476	MOZRWTOYFHDTKE-UHFFFAOYSA-N	315.826	1.931	50	20	DDGD	
CCCC[C@H](COC)NC(=O)NNC(=O)c1ccc(OC)cc1	1318983574	PBKBDNYCJICOPR-CYBMUJFWSA-N	323.393	1.844	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2nc3c(s2)C[C@H](C)CC3)n[nH]1	1324254591	WRSIMUIALVGTOJ-SECBINFHSA-N	317.418	1.992	50	20	DDGD	
CC(C)c1ncc(NC(=O)C(=O)NNc2ccccn2)cn1	1321088307	DPIDZOOTRZQBSG-UHFFFAOYSA-N	300.322	1.077	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@H]1c2ccccc2CCC[C@@H]1C	1321192905	LWAQNJGRYAVKEM-GXFFZTMASA-N	319.361	1.204	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H](C)CCOc1ccccc1	1330135808	MSUDHHIRHFZCMH-LBPRGKRZSA-N	309.435	1.995	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CC[C@@]3(CCOC3=O)C2)c1	1263131317	RTBQAJHLYYZKAU-CQSZACIVSA-N	323.374	1.050	50	20	DDGD	
Cn1cnc(C(=O)OC[C@]2(C)C[C@@H]2Br)cc1=O	1348960422	BHZXNRORNPXRFL-KWQFWETISA-N	301.140	1.111	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCc2ccc(O)cc2)cc1	1342482548	UVJSYDOZXUMOHL-UHFFFAOYSA-N	314.341	1.795	50	20	DDGD	
Cc1cnc(F)c(C(=O)NNc2ccc(CC(=O)O)cc2)c1	1600623082	UPQYXUSDOKMMME-UHFFFAOYSA-N	303.293	1.913	50	20	DDGD	
COC1CC(C(=O)NNc2ccc(-c3nn[nH]n3)c(Cl)c2)C1	1605023421	FKWZZZCRQVCKBA-UHFFFAOYSA-N	322.756	1.388	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2nc[nH]c3nccc2-3)cc1	1602128536	MYLJPNJOLCTFLQ-UHFFFAOYSA-N	311.301	1.294	50	20	DDGD	
O=C(CCOc1ccccc1)NN[C@H](C(=O)O)c1ccsc1	1608313729	VXWJVPAJYWJPEH-AWEZNQCLSA-N	320.370	1.964	50	20	DDGD	
N#CCC1(CNC(=O)NNc2ccc(F)c(C(=O)O)c2)CC1	1601063269	YOVGZWXSHJRVHX-UHFFFAOYSA-N	306.297	1.844	50	20	DDGD	
O=C(/C=C/c1ccc(Cl)nc1)NNc1ccc(C(=O)O)cn1	1608284787	RKLAOEMSYDZEQW-QHHAFSJGSA-N	318.720	1.985	50	20	DDGD	
C=CCOC(=O)/C(C#N)=C\c1ccc(-c2nn[nH]n2)c(OC)c1	1609058571	HOGZJEXXUXTFDJ-XFFZJAGNSA-N	311.301	1.511	50	20	DDGD	
O=C(NNc1cccc(F)c1C(=O)O)c1cn(C2CC2)nn1	1601560399	DNZQEKFQWWXGMF-UHFFFAOYSA-N	305.269	1.207	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C[C@@H](C)CC(=O)O)c(C)c1	1600459114	JRCXELOMPNKBIJ-LLVKDONJSA-N	321.377	1.364	50	20	DDGD	
CC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ncc[nH]1)C2	1800069370	FVJMZKQMRKYMOF-USZNOCQGSA-N	324.812	1.679	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=CC[C@H](C)C(=O)O)n1	1610457772	VBHCTYUSYGPFSE-QMMMGPOBSA-N	310.379	1.398	50	20	DDGD	
Cc1cccc2c1C(=NNC(=O)[C@H]1CN3CCC[C@H]3CO1)CC2	1549312998	GGHHTASOPRWNNM-GOEBONIOSA-N	313.401	1.625	50	20	DDGD	
Cn1cc([C@H]2OCCC[C@H]2C=NNC(=O)c2ccncc2)cn1	1552448618	VJVSHHCYBXXDCI-ZFWWWQNUSA-N	313.361	1.699	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)c1ccc(N)nc1	1579309649	MAJRYFQVCHQUCM-UHFFFAOYSA-N	317.374	1.304	50	20	DDGD	
Cc1cc(F)c2c(c1)N[C@H](C(=O)NNc1nnc(C)n1C)C2	1579610833	NUIUZYDCPYVKET-LBPRGKRZSA-N	304.329	1.051	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1cncc(C(=O)O)c1	1574579153	WXWIVKBUHRDJHE-UHFFFAOYSA-N	300.274	1.246	50	20	DDGD	
CO[C@H]1CN[C@](C)(C(=O)NNc2ccc(C#N)c(Cl)c2)C1	1578948809	OZADSXXJFXPRJM-RISCZKNCSA-N	308.769	1.422	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](CN)C2CCCCCC2)o1	1579664019	VBUYCLJRGYMMJI-CYBMUJFWSA-N	307.394	1.894	50	20	DDGD	
C[C@]1(CCC(=O)NNc2ccc(C(=O)O)c(F)c2)CCC(=O)N1	1594003396	VGJJYBJXTABSKV-OAHLLOKOSA-N	323.324	1.416	50	20	DDGD	
CC(C)c1nccn1CC(=O)NNc1ccccc1C(=O)O	1592039018	GJLKJTZDWFWHST-UHFFFAOYSA-N	302.334	1.848	50	20	DDGD	
CCn1ccnc1CNC(=O)NNc1cccc(C(=O)O)c1	1597916210	HUUPHATYFPSQAA-UHFFFAOYSA-N	303.322	1.428	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2ccc(-c3nn[nH]n3)c(C)c2)o1	1592128580	MHKCMIHQYWWNNV-UHFFFAOYSA-N	310.317	1.840	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cc(C(=O)O)cnc1Cl	1594866130	JELIMZGCZVYVLC-ZCFIWIBFSA-N	314.729	1.632	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1cc(F)c(C(=O)O)cc1F	1776946048	HHXIYSHNPAWVNF-BAQGIRSFSA-N	301.270	1.962	50	20	DDGD	
O=C(NN=Cc1cccc(F)c1C(=O)O)c1cccc(F)n1	1776094565	ZNMVLXUOANPIMI-UHFFFAOYSA-N	305.240	1.822	50	20	DDGD	
CC(=NNC(=O)c1sc(N)nc1C)c1cncc(C(=O)O)c1	1776029478	VPXYUHXMLRCIJB-UHFFFAOYSA-N	319.346	1.281	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC1)[C@H](F)Cl	1795396544	IZTFUTZIIYBICD-USZNOCQGSA-N	302.777	1.959	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1n[nH]c2c1CCCC2	13230365	GTXBIIPPFXFACO-UHFFFAOYSA-N	316.336	1.431	50	20	DDGD	
O=S(=O)(NC1(CO)CCC1)c1ccc(CCCl)cc1	169020653	JXYXQNVXOOSDOF-UHFFFAOYSA-N	303.811	1.661	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)NNC(=O)c1cccc(N(C)C)c1	158801270	YJMMDCOKYURAIB-ABAIWWIYSA-N	317.389	1.519	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(-c2ccccc2)n[nH]1	153189167	UBIVRYMVGZWULA-CQSZACIVSA-N	314.345	1.407	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	153695989	GFKALYJJZZJIHR-NSHDSACASA-N	308.382	1.720	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)[nH]n1	153895996	XCYZVIYLFWGJCJ-BDAKNGLRSA-N	318.299	1.848	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc(F)c(C#N)c2)n1	159514452	WWPIICQMGQRLEM-UHFFFAOYSA-N	302.269	1.645	50	20	DDGD	
COCCOCCCNS(=O)(=O)c1ccc(CCl)cc1	312936140	ZAKCEHSKQHMHAY-UHFFFAOYSA-N	321.826	1.757	50	20	DDGD	
C[C@@H](NS(=O)(=O)c1ccc(CCl)cc1)c1nncn1C	379946628	DCXHXWGKORECSO-SECBINFHSA-N	314.798	1.593	50	20	DDGD	
C[C@H](C(=O)NCC(Cl)Cl)N1C(=O)c2ccccc2C1=O	837650773	AWNFJIRLOBTACH-SSDOTTSWSA-N	315.156	1.591	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=S)NCc2ccccc2)n1	7677022	PSLPGWPXKSSJSA-UHFFFAOYSA-N	317.418	1.195	50	20	DDGD	
CNC(=O)NNC(=O)COc1ccc2oc3c(c2c1)CCCC3	56371247	PCWQUMOBXCHTOD-UHFFFAOYSA-N	317.345	1.651	50	20	DDGD	
COc1ccsc1C(=O)NNC(=O)c1ccc(Cl)nc1	106015307	ZOSFWKZVPQHXHK-UHFFFAOYSA-N	311.750	1.880	50	20	DDGD	
Cc1ccc(NNC(=O)NCCc2nc3ccccc3[nH]2)nn1	106256430	VOGWMEXKEPFBRC-UHFFFAOYSA-N	311.349	1.530	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C(C)(C)C)C(=O)N1CCCC[C@@H]1C	102455751	HTBFYGODPBBTNX-QWRGUYRKSA-N	312.414	1.152	50	20	DDGD	
O=C(NCc1cccnc1)NNC(=O)Nc1cc(F)cc(F)c1	63399155	RWDAWVDFCHUOKL-UHFFFAOYSA-N	321.287	1.896	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CC[C@@H]2CC[C@H](C)O2)c(O)c1	175551437	VEYYUUXSTPKWFF-RYUDHWBXSA-N	306.362	1.809	50	20	DDGD	
CCC(CC)[C@H](C(=O)NNc1cnccn1)N1CCOCC1	173600312	YQCDBFHGDNNKEN-CQSZACIVSA-N	307.398	1.057	50	20	DDGD	
CN(C)N(C(=O)[C@H]1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1	179371014	ZJOKBNBRKAXEJV-QWHCGFSZSA-N	316.467	1.695	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)NCc1cccnc1	60798131	APNXWUNJWZITBH-UHFFFAOYSA-N	314.345	1.381	50	20	DDGD	
COc1nc(Cl)c(/C=C(/C#N)C(=O)Nc2ccn(C)n2)n1C	1341213458	VTFFGILPAVYINC-VURMDHGXSA-N	320.740	1.361	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccc([N+](=O)[O-])s1	171511553	FPQLFCFGJBNJRF-UHFFFAOYSA-N	306.303	1.055	50	20	DDGD	
C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NNC(=O)c1ccc[nH]1	175944382	UHJPDXODMPBXCB-BDJLRTHQSA-N	301.346	1.330	50	20	DDGD	
Cc1cc(C)n2ncc(C(=O)NNC(=O)c3ccccc3)c2n1	27600888	NOLRDFLLISUYBH-UHFFFAOYSA-N	309.329	1.421	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CC[C@H]1CCOC1	177622492	UGQWWXUPPABMQK-NEPJUHHUSA-N	324.352	1.557	50	20	DDGD	
CSc1ccc(C(=O)NNc2cccnn2)cc1[N+](=O)[O-]	172369812	UKBBUAHTILVHHE-UHFFFAOYSA-N	305.319	1.864	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1cnc2ccccc2n1	172440208	CCPXFPPFCXBQGP-UHFFFAOYSA-N	300.709	1.830	50	20	DDGD	
O=C(NNc1cccnn1)NC1CCN(C2CCCC2)CC1	176010008	SRNHMQPKIVYUGT-UHFFFAOYSA-N	304.398	1.510	50	20	DDGD	
COCCCOc1cccc(C(=O)NNC(=O)c2ccc[nH]2)c1	172970641	QBKSUMDYDKZWIV-UHFFFAOYSA-N	317.345	1.505	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNC(=O)CC2CCCC2)cc1	125853071	HMAFURWYOOIQPF-UHFFFAOYSA-N	317.389	1.915	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	65191011	MBCYYMRRJYQPRA-UHFFFAOYSA-N	307.310	1.133	50	20	DDGD	
Cc1cccc(NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)c1C	122127045	BXCFCJHQCZBUDW-CQSZACIVSA-N	311.407	1.507	50	20	DDGD	
N#Cc1c(F)cccc1C(=O)NNC(=S)Nc1ccccn1	189219002	AFBGHDFZNCDMBU-UHFFFAOYSA-N	315.333	1.724	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc(C)cc1)C[C@H](C)C#N	72960105	SLWBVCUUWOGFAE-CYBMUJFWSA-N	302.378	1.238	50	20	DDGD	
COC1(CNC(=O)NNC(=O)c2ccccc2)CCCCC1	187183058	SQJLWYOFZVIZLQ-UHFFFAOYSA-N	305.378	1.980	50	20	DDGD	
O=C(NCCCF)NNC(=O)c1cnn(-c2ccccc2)c1	120083418	QMHRNVTWXVPENT-UHFFFAOYSA-N	305.313	1.176	50	20	DDGD	
C#CCNC(=O)NNC(=O)c1ccc(Br)s1	78369636	JYDQBSIPFOIAAD-UHFFFAOYSA-N	302.153	1.088	50	20	DDGD	
Cc1[nH]ccc1C(=O)NNC(=O)CSc1ccccc1O	125563707	ZBVVEHVEQJLKKF-UHFFFAOYSA-N	305.359	1.582	50	20	DDGD	
O=C(CO)NNC(=O)c1cccc(OCc2cccs2)c1	182748782	OYHPOSXLWPRZCY-UHFFFAOYSA-N	306.343	1.080	50	20	DDGD	
CC[C@H]1CCCC[C@H]1OCC(=O)NNc1ncnc2nc[nH]c12	186427783	UPFNEPYLRXJQNA-WDEREUQCSA-N	318.381	1.781	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@H]2C[C@@]2(C)C(C)C)cc1	188292020	IYGHEMUYONAKAR-PBHICJAKSA-N	319.405	1.937	50	20	DDGD	
C[C@H]1CC(C(=O)NNC(=O)C(=O)Nc2ccccn2)C[C@H](C)C1	180437109	VAQNLYSANSMWPO-GHMZBOCLSA-N	318.377	1.240	50	20	DDGD	
O=C(CN1CCCCCC1=O)NNc1nnc(C2CC2)s1	184455312	VPDKGWVKLCMPAM-UHFFFAOYSA-N	309.395	1.261	50	20	DDGD	
CC[C@@H](C)Oc1cc(C(=O)NNC(=O)c2cccnc2)ccn1	183406748	QPRHGFMASJBBHS-LLVKDONJSA-N	314.345	1.729	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NNc1ccc(C(F)(F)F)cn1	132307903	ZXQHSVAWNVUCKB-FPLPWBNLSA-N	300.240	1.987	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@@H]1CCN2CCCC[C@H]12	47104876	RVXZVEMYFXZSOU-ZIAGYGMSSA-N	302.378	1.257	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cc2ccc(F)cc2F)cc1	87219921	HDPXSNIHSDVHPN-UHFFFAOYSA-N	315.279	1.840	50	20	DDGD	
CCn1nccc1C(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	131820994	WETNVVKBZPYMJW-UHFFFAOYSA-N	305.294	1.577	50	20	DDGD	
N#Cc1ccc(CNC(=O)NNC(=O)c2ccccc2O)cc1	46046902	RJYGPJZCNYBSID-UHFFFAOYSA-N	310.313	1.408	50	20	DDGD	
CCc1ccc(OCC(=O)NNC(=O)NCc2ccco2)cc1	193822409	YQRVOYBNHSDUKU-UHFFFAOYSA-N	317.345	1.751	50	20	DDGD	
NC(=O)COc1cccc(C(=O)NNc2cccc(Cl)c2)c1	44697840	FGDZSNWLKGHTHK-UHFFFAOYSA-N	319.748	1.961	50	20	DDGD	
Cc1ccc(NNC(=O)NCCc2ccc(F)c(F)c2)nn1	190379211	RWJVPPGWELRVGI-UHFFFAOYSA-N	307.304	1.932	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1	195220819	YFPRFFXKHDGXKE-CYBMUJFWSA-N	321.421	1.505	50	20	DDGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCCCO)c1C	230029639	DRSCNXUCRRALQW-WFSQQTBHSA-N	319.405	1.718	50	20	DDGD	
O=C(NCCc1cn2ccccc2n1)NNC(=O)C1CCC1	264759672	SXBKJSMJDMEIMF-UHFFFAOYSA-N	301.350	1.007	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@H]1CCN(c2cccc(OC)c2)C1	263980257	IOGJGLYKOYDTBP-CMPYXILNSA-N	315.373	1.834	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CCCNC(=O)C2CC2)n1	267092743	MOXKFCQVAPVFDK-UHFFFAOYSA-N	311.773	1.188	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCOc2ccccc21)NC1CCCC1	263984150	KQEFFWJNGDSVCF-ZDUSSCGKSA-N	303.362	1.826	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCc1cccn1C	266448487	CFWVHKCDGWQLAM-UHFFFAOYSA-N	316.361	1.107	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@H](O)CC(C)(C)C	265308946	IGUIFQOHDQWLSN-LLVKDONJSA-N	323.393	1.436	50	20	DDGD	
CNC(=O)NNS(=O)(=O)c1cc(C(F)(F)F)ccc1C	267086348	TVXQEPVOUWXIHL-UHFFFAOYSA-N	311.285	1.136	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1nccnc1Cl	265135536	GWOUBGMEJPQKNE-SSDOTTSWSA-N	315.761	1.486	50	20	DDGD	
CCC(=O)N[C@@H](CCSC)C(=O)NNc1ccnc(F)c1	272781131	RLTRXVBUPPYHGK-JTQLQIEISA-N	314.386	1.312	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1ccn(CC(N)=O)n1	274314527	GQRBHRNSPODGLT-VIFPVBQESA-N	317.187	1.117	50	20	DDGD	
NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CCI	364620493	TVWGKNKBZZGIRJ-CIUDSAMLSA-N	308.163	1.007	50	20	DDGD	
Cc1ccnc(-n2nccc2NC(=O)NNC(=O)C2CCC2)c1	276413706	HQLCHIWXCXEMMW-UHFFFAOYSA-N	314.349	1.529	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H](C(C)C)N1C[C@@H](C)O[C@H](C)C1	276812191	ZXKRJBOIYJEAEN-KFWWJZLASA-N	320.437	1.967	50	20	DDGD	
C[C@@H]1C[C@@H](CCNC(=O)NNC(=O)c2ccccc2O)CCO1	273543566	UCTDQOVJRZHQGO-NEPJUHHUSA-N	321.377	1.541	50	20	DDGD	
O=S(=O)(CBr)NC[C@]1(O)CCc2ccccc21	370073789	RCYZIFSAHDCLPN-LLVKDONJSA-N	320.208	1.092	50	20	DDGD	
O=C(NC[C@@H]1CCSC1)NNc1ccc(-n2cccn2)nn1	279288432	MBVGMQGUNFBXSR-JTQLQIEISA-N	319.394	1.042	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@@H]1CCC[C@@H]1CCO	275422452	UJVDIPNJZRZUIP-ZWNOBZJWSA-N	309.341	1.321	50	20	DDGD	
COC(=O)N(C)NC(=O)CCCc1nnc(-c2ccccc2)o1	286530973	YENMEHLDLPMSRN-UHFFFAOYSA-N	318.333	1.789	50	20	DDGD	
CC(=O)c1ccc(CC(=O)NNC(=O)NCC(F)(F)F)cc1	281190813	KEUQSHPRKPNDEZ-UHFFFAOYSA-N	317.267	1.324	50	20	DDGD	
C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cccnc1	285127420	NNLXPNMJYYRDFH-JTQLQIEISA-N	322.365	1.003	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NNc1cc(F)c(F)c(F)c1	285711641	INFBHMRHVSSLHP-GFCCVEGCSA-N	315.295	1.948	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)NNC(=O)CC(C)C	287120262	XAPNXDUROLPRNU-AAEUAGOBSA-N	323.397	1.110	50	20	DDGD	
CSc1cccc(NC(=O)NNC(=O)c2cccnc2)n1	806783211	ILUJJXVPRGETJF-UHFFFAOYSA-N	303.347	1.665	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C/c1cn(C)nc1C(=O)OCC	291924689	NRDIHMMDNDUEMB-YRNVUSSQSA-N	311.363	1.286	50	20	DDGD	
CC(=O)Nc1ccc(O)c(C(=O)NNC(=O)OC(C)(C)C)c1	299232809	RVDRSRFFWCZGES-UHFFFAOYSA-N	309.322	1.520	50	20	DDGD	
CSc1ccncc1NC(=O)C(=O)NNc1ncccc1F	807301124	WEYAFNJEGYANDB-UHFFFAOYSA-N	321.337	1.419	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@@H]1CCCC12OCCO2	807092393	CTXIMKOOZGMYGT-VIFPVBQESA-N	320.374	1.678	50	20	DDGD	
O=C(NNc1ncccc1F)NC1CCN(CC2CC2)CC1	804932646	MCMOQPVPQMAMBR-UHFFFAOYSA-N	307.373	1.721	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)CCOC(C)C)cc1OC	298287831	KPCSPPSPWBZDST-UHFFFAOYSA-N	324.377	1.670	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@H]1CCCN(C(=O)C2CC2)C1	804767276	GBUWYKGRELOVOD-NSHDSACASA-N	306.341	1.312	50	20	DDGD	
CC(C)c1nn(C)cc1C(=O)NNC(=O)c1ccc(Cl)nc1	299086282	SSNGJFSQUDGZBK-UHFFFAOYSA-N	321.768	1.667	50	20	DDGD	
O=C(Cc1c[nH]c2cccc(Cl)c12)NNC(=O)NC1CC1	293065589	QHWLFSODOGZNHL-UHFFFAOYSA-N	306.753	1.857	50	20	DDGD	
CCc1c(C(=O)NNC(=O)Nc2ccc(OC)cc2)cnn1C	802053104	IPBYKSXBWZFUPL-UHFFFAOYSA-N	317.349	1.458	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)c(C)n1	296725993	WTSRUCRIBXJDGX-NSHDSACASA-N	308.338	1.120	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H]2CCN(C(=O)CC)C2)cc1	298028399	SDDAJVARBPCWHC-ZDUSSCGKSA-N	320.393	1.722	50	20	DDGD	
CO[C@@](C)(C(=O)NNc1nc2ccccc2c(=O)n1C)C1CC1	291763778	UYDHKKZHBXUICU-MRXNPFEDSA-N	316.361	1.192	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNC(=O)CC1CCCCC1	299670142	NAJYFGWVPRRTFO-UHFFFAOYSA-N	323.418	1.596	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)Nc1cc(F)cc(F)c1)N(C)C	801999502	GVDBIMKFPBYNIF-GFCCVEGCSA-N	314.336	1.704	50	20	DDGD	
COc1cccnc1CC(=O)NNc1ccc([N+](=O)[O-])cc1	807082159	FZWSHXFVCCAUJA-UHFFFAOYSA-N	302.290	1.684	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1cccc(Cl)c1F	290647205	ZEYWOHMPCJZMQK-UHFFFAOYSA-N	317.748	1.389	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1	299323830	ADZXRZDEHMMKCP-UHFFFAOYSA-N	322.365	1.950	50	20	DDGD	
COc1nccnc1NNC(=O)c1cnc(C(C)(C)C)nc1	807253115	YCSYRIWHGCGHJE-UHFFFAOYSA-N	302.338	1.330	50	20	DDGD	
CC(C)CO[C@@H](C)C(=O)NNc1ccc(-n2ccnc2)nn1	804958646	GYJMHGPNUJTVDQ-NSHDSACASA-N	304.354	1.167	50	20	DDGD	
C[C@@H]1C(=NNC(=O)Cc2cc[nH]n2)CC[C@@H](C(=O)O)C1(C)C	814958120	ZOOSNCCDGSKAFV-KOLCDFICSA-N	306.366	1.581	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)N[C@H]1CCc2n[nH]cc2C1	814313563	YAGSLJOCJJOUKE-VIFPVBQESA-N	306.757	1.642	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1	814955688	SNFHXZGCFHDCKC-UHFFFAOYSA-N	307.697	1.664	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1CCCSC1	810194455	WLCSHPOLBUEBFL-GFCCVEGCSA-N	308.403	1.528	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@]2(C)CC2(F)F)c1	817512310	AADQSUAGENZQCY-CQSZACIVSA-N	312.316	1.875	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ncncc2F)cc1F	815764936	ZTKYREOGEXOVDT-UHFFFAOYSA-N	307.260	1.145	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1c(C)nn(C)c1N	814813753	YBWHGZFOHFYCCJ-UHFFFAOYSA-N	301.350	1.012	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NOC/C=C/Cl	811883977	YEXSIBLZRJLAGH-QPJJXVBHSA-N	313.741	1.218	50	20	DDGD	
CC1(C)CN(C(=O)[C@@H](Br)C(C)(C)C)C[C@H](CO)O1	817626563	BGEIDEBUGUFLFP-NXEZZACHSA-N	322.243	1.794	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NNc2nccnc2Cl)C1	816925964	FKRLHKDABKFSBW-VXNVDRBHSA-N	306.757	1.662	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1CCC[C@@H]1C(C)(C)C#N	814762878	MYJBTPQOCDGCBM-KGLIPLIRSA-N	320.437	1.777	50	20	DDGD	
Cc1ccc(NNC(=O)NCC[C@@]2(O)C[C@H]3CC[C@H]2C3)nc1	814347150	WXMCLKONVQGUDC-HEHGZKQESA-N	304.394	1.957	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)c1cccc(C#N)c1)C(=O)N2	728785037	QSNQUVGTHIFRQN-UHFFFAOYSA-N	320.308	1.653	50	20	DDGD	
CNC(=O)NN=C(C)c1ccccc1I	727778328	CSMAQEUBXOWXDZ-UHFFFAOYSA-N	317.130	1.944	50	20	DDGD	
CC(C)C[C@@H](C)n1nccc1NC(=O)NNC(=O)c1cc[nH]n1	822556702	CGIDCELHXMMMTN-SNVBAGLBSA-N	319.369	1.680	50	20	DDGD	
CC(C)(C(=O)NNC(=O)Cc1ccncc1)N1CCCCC1	827855704	VTHDMQZTGDYMNA-UHFFFAOYSA-N	304.394	1.036	50	20	DDGD	
C=CCc1cc(C=NNC(=O)C(=O)NC(C)C)cc(OC)c1O	728694372	SMXATIJDXRKNQO-UHFFFAOYSA-N	319.361	1.104	50	20	DDGD	
CCOC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1	490542191	PILOCSGPAXCYOU-UHFFFAOYSA-N	316.317	1.658	50	20	DDGD	
N#C/C(=C\c1ccc(-c2nn[nH]n2)o1)C(=O)NCc1ccco1	822795810	HFISIPSNRMORSG-RMKNXTFCSA-N	310.273	1.276	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCc1ccccc1F	825534798	SWVRVNWVRXLZFL-CMPLNLGQSA-N	309.341	1.124	50	20	DDGD	
CO[C@]1(C)C[C@H](N(C)C(=O)/C(C#N)=C/c2cnn(C)c2)C1(C)C	490974377	NBSRKEPCJJASRA-CKEAKTESSA-N	316.405	1.989	50	20	DDGD	
CSC1(CNC(=O)NNC(=O)OC(C)(C)C)CCOCC1	491950004	WPASNXAMOUPMEM-UHFFFAOYSA-N	319.427	1.638	50	20	DDGD	
Cc1cc(C)c(NNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)c(C)c1	826263941	WTVOJONVJJHVQI-UHFFFAOYSA-N	311.349	1.877	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC(O)(C(F)F)CC1	491138856	ZZAOLJOPUWFOKP-FMIVXFBMSA-N	322.311	1.918	50	20	DDGD	
CC(C)CC[C@H]1CCCCN1C(=O)c1cc(B(O)O)ccc1F	584963297	XPRRUOFILNWJJM-CQSZACIVSA-N	321.201	1.936	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCOc1cccc(OC)c1	822777845	UJMSGOSMZDIYTF-UHFFFAOYSA-N	309.366	1.595	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@@H](C(F)(F)F)C1(C)C	829147522	VGQVWHJFXDTDLN-SECBINFHSA-N	309.332	1.453	50	20	DDGD	
Cc1ccc2c(c1)N(CC(=O)NNC(=O)C(C)C)C[C@@H](C)O2	827969969	YKMBHUQMTOHNQK-GFCCVEGCSA-N	305.378	1.386	50	20	DDGD	
O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccc(B(O)O)cc1	584926403	NEGCJDFPBTVHPP-DUVNUKRYSA-N	301.195	1.455	50	20	DDGD	
CC(C)O[C@@H]1C[C@@H](NCc2ccc(B(O)O)cc2F)C1(C)C	585036807	PRNSOMJWEDJCFC-HUUCEWRRSA-N	309.190	1.187	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(OC)c(OC)cc1OC	494658602	HXQRPTUSKVIFOY-UHFFFAOYSA-N	313.310	1.495	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@H](O)C(C)C)cc1F	822649296	WNHMZIPPHFCFDA-LLVKDONJSA-N	315.370	1.169	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@]2(C)CC(C)=NO2)cc1	902838401	ZQJNHDUAKULRCO-INIZCTEOSA-N	319.361	1.330	50	20	DDGD	
O=C(C/C=C\Cc1ccccc1)NNC(=O)[C@H]1CCCCO1	823237285	QWXWATVRECFVGK-FOSCPCJNSA-N	302.374	1.892	50	20	DDGD	
CN(C)CCn1nccc1NC(=O)NNc1ccnc(Cl)c1	823589565	GCNRDZHIPRHNGF-UHFFFAOYSA-N	323.788	1.642	50	20	DDGD	
CC(C)C[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccc2c(c1)OCO2	822189490	QMKYOKQRBBBRCM-VXGBXAGGSA-N	304.346	1.859	50	20	DDGD	
COc1ccc2c(ccn2CC(=O)NNC(=O)C2CCC2)c1	732145095	OSLYEIBQCXVJDL-UHFFFAOYSA-N	301.346	1.597	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)COc1cccc(C(F)(F)F)c1	823993367	OSLUVHOIMYBEAR-SECBINFHSA-N	306.284	1.428	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@@H]2CCC[C@H](C3CC3)C2)cn1	824858791	FNFIVNLHRZAOIO-WCQYABFASA-N	305.382	1.333	50	20	DDGD	
CN(CC(=O)OC(C)(C)C)C(=O)[C@@]1(C)C[C@@H]1Br	906490053	XWQNMDIHDQFBIL-UFBFGSQYSA-N	306.200	1.960	50	20	DDGD	
CC(C)C(=O)NNC(=O)CNC(C)(C)CCc1ccccc1	827668633	UNAUBLKCUYABRV-UHFFFAOYSA-N	305.422	1.791	50	20	DDGD	
O=C(CCCC(=O)C1CC1)NNC(=O)CCc1ccccc1O	825756137	IWQKYEYBONIGKF-UHFFFAOYSA-N	318.373	1.622	50	20	DDGD	
Cc1n[nH]c(C)c1CCNC(=O)[C@]1(C)C[C@H]1Br	909287952	LDXBAHMFWGZOHE-ZYHUDNBSSA-N	300.200	1.859	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H]1C1CCCCC1	584931860	JPAGMDCHDNPDRZ-MRXNPFEDSA-N	301.195	1.551	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)/C(C#N)=C\c1ccc(F)cc1	491053496	YQBFFWHFFNEZFA-WDZFZDKYSA-N	313.292	1.225	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)O)CCSCC1)c1ccccc1	901712334	QXHJYTAPMQSQGA-UHFFFAOYSA-N	308.359	1.046	50	20	DDGD	
CN(C[C@@](C)(O)CN1CC=C(C#N)CC1)C(=O)OC(C)(C)C	497288755	ZWRCSDWYWBSVME-MRXNPFEDSA-N	309.410	1.760	50	20	DDGD	
COc1cc(C(=O)NNc2cnccn2)cc2c1O[C@@H](C)C2	734245244	RNLRXPYHEWPYHI-VIFPVBQESA-N	300.318	1.566	50	20	DDGD	
CC[C@H](C(=O)NN=c1cc[nH]cc1)N(C)C(=O)OC(C)(C)C	831868166	QLQIZLJHKBRNEC-GFCCVEGCSA-N	308.382	1.592	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)O)sc1Br	832903832	ZDYBSWQNSYEUSX-UHFFFAOYSA-N	315.170	1.280	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)o1)[C@H](C)Oc1ccccc1F	585029421	RFVMNDBPVCVTHP-QWRGUYRKSA-N	307.130	1.044	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNC(=O)CNc1ccc(C)cc1	839482596	GOVQUHPWUFAXNL-ZDUSSCGKSA-N	321.377	1.144	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CC(C)(C)CC(=O)O)n1	833654399	OBLCQHUTZCRRGN-UHFFFAOYSA-N	323.397	1.657	50	20	DDGD	
O=C(NN=Cc1occc1Br)C(=O)N1CCCC1	735230167	ZVLPMACTWLFJTE-UHFFFAOYSA-N	314.139	1.115	50	20	DDGD	
CCOC[C@H]1CCCCN1[C@@H](C)C(=O)NNC(=O)CC(C)C	839182652	KQGPNKBHUHJDON-UONOGXRCSA-N	313.442	1.459	50	20	DDGD	
CC[C@@H](CC(=O)N1CC[C@H](B(O)O)C1)c1ccc(OC)cc1	585066167	MTHUHQWUQBBGOI-JSGCOSHPSA-N	305.183	1.654	50	20	DDGD	
O=C(Cc1cc2ccccc2o1)NNC(=O)[C@@H]1CCCCO1	833778514	FTHNEIOAJSYQGS-AWEZNQCLSA-N	302.330	1.692	50	20	DDGD	
CC(C)(C)OC(=O)[C@@]1(C(=O)NN=c2cc[nH]cc2)CC1(C)C	831862838	MBVBEZVMUXLGBT-INIZCTEOSA-N	305.378	1.705	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCCO1)c1ccc(C(=O)O)c(F)c1	834986575	RETDBZUIHORKTG-CYBMUJFWSA-N	308.309	1.933	50	20	DDGD	
Cc1nc(C)c(C=NNC(=O)[C@H](C)CN2CCOCC2)s1	736427164	KXBWGUOWIMNGTG-SNVBAGLBSA-N	310.423	1.178	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=S)Nc1cccc(C)c1	734025681	BCKMMJXYVGPYLI-LLVKDONJSA-N	311.407	1.364	50	20	DDGD	
OB(O)c1ccc(CNCCN2CCC3(CCCCC3)CC2)o1	585040028	YOERDZBGUXYVSL-UHFFFAOYSA-N	320.242	1.095	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(C)CCC(=O)O)cc1	737886704	FARRMGDHEGRZHR-RAXLEYEMSA-N	302.330	1.925	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1ccnn1CC1CCC1	901260494	YVGFCYOQJJGBMV-JSGCOSHPSA-N	304.394	1.948	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccc2c1OC(F)(F)O2	831853787	GKBVETSBBQOXQM-UHFFFAOYSA-N	301.249	1.314	50	20	DDGD	
COCCN(C)NC(=O)c1sc2nc(C)nc(N)c2c1C	837627546	WHXJACAYHHEKKM-UHFFFAOYSA-N	309.395	1.113	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)[C@@H]2CCCCO2)CC1	833250923	NTTOZPZATSKCBF-AWEZNQCLSA-N	302.374	1.743	50	20	DDGD	
O=C(NNC(=O)C1CN(C2CCCCC2)C1)NC1CCCC1	837372348	DTYGZIDHVAAGQJ-UHFFFAOYSA-N	308.426	1.524	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCC(C)CC1)c1cnn(C)n1	834933831	RORQXWNDKLIXJA-LBPRGKRZSA-N	306.414	1.023	50	20	DDGD	
COC(=O)CC[C@H](NS(=O)(=O)CCl)c1ccccc1	830409541	FGKQNUBUKAUBFN-NSHDSACASA-N	305.783	1.797	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)c(C)nc1C	833243550	UCAJSZYAIBORAB-AWEZNQCLSA-N	319.361	1.231	50	20	DDGD	
Cc1ccc([C@@H](CNS(=O)(=O)CCl)N2CCCC2)o1	830338623	PTDXBRBKISJWAX-LLVKDONJSA-N	306.815	1.841	50	20	DDGD	
COCCONC(=O)NNC(=O)Nc1ccc(Cl)cc1	836433571	DWNRMHMZHFJJKJ-UHFFFAOYSA-N	302.718	1.254	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)c(C)[nH]1	914749548	FEERENBSKZZXJQ-LLVKDONJSA-N	319.336	1.999	50	20	DDGD	
CN(C)CCCCC(=O)NNC(=O)c1cc2ccccc2o1	749474833	SODRPYAKYYJKGK-UHFFFAOYSA-N	303.362	1.926	50	20	DDGD	
CCSCC[C@@H](C)NC(=O)NNC(=O)CC(F)(F)F	745923488	SMIXBVKUFMAUGL-SSDOTTSWSA-N	301.334	1.801	50	20	DDGD	
Cc1ccc(C(=O)NNc2nccn(C)c2=O)cc1-n1cccc1	747943219	QVCUQYAXDHZAAT-UHFFFAOYSA-N	323.356	1.636	50	20	DDGD	
CC(C)(C)OC(=O)[C@@]1(C(=O)NNC(=O)NC2CC2)CC=CCC1	845298928	KFNZSXJPRJHMRR-INIZCTEOSA-N	323.393	1.547	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)c2cccc(N(C)C)c2)[C@H]1OC	841608738	HYEXXHRQUOTYON-HUUCEWRRSA-N	305.378	1.662	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)c1ocnc1C1CC1	848322458	CIIMCLMWEHPGFM-UHFFFAOYSA-N	324.138	1.861	50	20	DDGD	
CCCNC(=S)NNC(=O)[C@@H](C)CN1CCC(C)CC1	916118055	ZIXSMIVQICJPOG-LBPRGKRZSA-N	300.472	1.260	50	20	DDGD	
O=C(NN=Cc1c(N2CCOCC2)nc2ccccn12)C1CC1	741805869	UUIAXSUQIMOTOY-UHFFFAOYSA-N	313.361	1.031	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2c(CO)cnc(C)c2O)cs1	916317337	JRVDWFUOVWOBFN-UHFFFAOYSA-N	320.374	1.046	50	20	DDGD	
COc1cc(C)nc(NNC(=O)COc2ccccc2C#N)n1	746628148	VBMUEQFBUNEZBY-UHFFFAOYSA-N	313.317	1.187	50	20	DDGD	
CC(C)CCCCC(=O)NNc1ccccc1S(N)(=O)=O	842259391	XIMIADSTYMAYMS-UHFFFAOYSA-N	313.423	1.994	50	20	DDGD	
COC[C@H](Cc1ccccc1)NC(=O)NNc1ccccn1	746780627	OETPAKKNNQLHCE-AWEZNQCLSA-N	300.362	1.965	50	20	DDGD	
C[C@H](CNC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)OC(C)(C)C	848309229	NKMONKOUXKPPSV-PZHUPROXSA-N	318.377	1.421	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNc1cc(O)nc2ncccc12	913993158	RHXYLGUSSKZWRX-LBPRGKRZSA-N	301.350	1.263	50	20	DDGD	
CCn1cc(C=NNC(=O)C(=O)N2CCCC2)c2ccccc21	748136367	GSIVGFSQLGUGRM-UHFFFAOYSA-N	312.373	1.734	50	20	DDGD	
Cn1ccnc(NNC(=O)c2ccc(-c3cnco3)cc2)c1=O	747939163	URNJVDPWLHMPNZ-UHFFFAOYSA-N	311.301	1.192	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@@H]2CCC=CO2)c1	843870033	LRQUPCCBYHMLAY-ZDUSSCGKSA-N	304.350	1.916	50	20	DDGD	
Cc1c(NNC(=O)CCN2CCOCC2)cccc1[N+](=O)[O-]	748673822	RKIQCHNNIXGUNB-UHFFFAOYSA-N	308.338	1.069	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1coc2ccc(Cl)cc12	845337376	VCXPEJSKKOPJOP-UHFFFAOYSA-N	323.736	1.773	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccc(F)cc1)Cc1ccoc1	745983620	YTOWHJNUCPFGIP-UHFFFAOYSA-N	305.309	1.312	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccccc1	843652395	SOHIWVAGAXENLJ-GHJWDPDVSA-N	306.362	1.121	50	20	DDGD	
C[C@H]1CC[C@H](C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1	844280259	YMMWKINWMVIDRQ-HUBLWGQQSA-N	318.373	1.800	50	20	DDGD	
CC(=O)Nc1ccccc1CNC(=O)NNc1ccc(C)nn1	743641306	BEYDUPGZUMLPBG-UHFFFAOYSA-N	314.349	1.570	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H]2CC[C@@H](CN)C2)cccc1[N+](=O)[O-]	842009304	AHUMSUIVHMVVNP-GHMZBOCLSA-N	307.354	1.657	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCCOC1CCC1)c1ccccc1	743600234	LZXZVELEQFQBLA-UHFFFAOYSA-N	319.405	1.864	50	20	DDGD	
CCC(=NNC(=O)[C@H](C)OCCOC)c1c(C)nn(C)c1C	748259421	JCRVPQYJODTROR-LBPRGKRZSA-N	310.398	1.319	50	20	DDGD	
CC[C@@](O)(CC(=O)NNc1ncc(F)cn1)c1ccccc1	840405856	WPKVRSWJGPMXTG-OAHLLOKOSA-N	304.325	1.747	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCCC(F)(F)F)c1	743508363	OMUDMBFIZXUISC-UHFFFAOYSA-N	319.283	1.657	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)[C@H]2CCCCO2)CCc2ccccc21	843600583	FTVYKDNQGDFXRE-RHSMWYFYSA-N	302.374	1.607	50	20	DDGD	
CO[C@H](CNC(=O)NNc1ccc(Cl)nn1)CC(C)C	841591110	JEMPMDNWLPUPLR-VIFPVBQESA-N	301.778	1.817	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cn(C)c2ccc(F)cc12	843970281	DBIODOWCLTWNTL-ONGXEEELSA-N	319.336	1.503	50	20	DDGD	
CC(C)N(C)CC(=O)NNc1ncc(Br)cn1	848320867	ZZAPTDBLZRFGBB-UHFFFAOYSA-N	302.176	1.022	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H](C)n1cnc2ccccc21	843648156	VXIZQYBOEHXQIS-SDDRHHMPSA-N	316.361	1.170	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1CCCC[C@H]1CN	841950592	UWWXFCLSLADTTG-JSGCOSHPSA-N	304.394	1.457	50	20	DDGD	
Cc1nn(C)c2sc(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)cc12	843642969	LARMRAACOKWBLV-DTWKUNHWSA-N	322.390	1.129	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNC(=O)[C@@H]1CC12CCCC2	747303179	JENPKTDDRLPHLA-JTQLQIEISA-N	321.402	1.206	50	20	DDGD	
COCCOC[C@@H](C)NC(=O)NNc1cc(F)c(F)cc1F	745864216	MEMCHWJPVRRVEP-MRVPVSSYSA-N	321.299	1.782	50	20	DDGD	
CON(C)C(=O)[C@H](C)NC(=O)NNc1ccc(F)cc1Cl	923474279	ZVVKYXABVLRCGY-ZETCQYMHSA-N	318.736	1.514	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCCCCC1)c1cnn(C)c1	920827439	LSRZMMNTWQEASI-ZDUSSCGKSA-N	305.426	1.772	50	20	DDGD	
CC(C)c1nnc(C(=O)NNC(=O)OCC(F)(F)F)s1	856020817	VKLQVGVVSMHZCU-UHFFFAOYSA-N	312.273	1.595	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1cnn(-c2ccccc2)c1	756709635	YBMXHDIRFJHOLC-UHFFFAOYSA-N	323.316	1.129	50	20	DDGD	
CC(=NNC(=O)C(C)C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	853274055	YJJIAQKETGFVHE-LBPRGKRZSA-N	313.398	1.770	50	20	DDGD	
O=C(NCCCO[C@H]1CCOC1)NNc1cc(F)ccc1F	921418198	BLWFMVPSXOLDPM-NSHDSACASA-N	315.320	1.787	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1cc2cc(F)ccc2[nH]1	755283473	YGXVIHJDGIVORN-UHFFFAOYSA-N	301.281	1.034	50	20	DDGD	
CNC(=O)NNC(=O)Cc1nc(-c2ccc(F)cc2)cs1	753801345	FHPMTQMNUVKJQP-UHFFFAOYSA-N	308.338	1.452	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCC2(C)CCOCC2)c1	858273790	HFJOKODCKFPUQB-UHFFFAOYSA-N	311.407	1.817	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@H](O)CC(C)(C)C)c1	858706461	TZNRJBHULBEHSL-SNVBAGLBSA-N	313.423	1.798	50	20	DDGD	
CCOC(=O)c1ccc(CNC(=O)NNC(=O)C(C)(C)C)o1	752010531	QHTFTKFFXVECHK-UHFFFAOYSA-N	311.338	1.333	50	20	DDGD	
CCn1cc(CNC(=O)c2c(C)nn(CCCl)c2C)nn1	855613437	YETDLBFMPDRGCH-UHFFFAOYSA-N	310.789	1.280	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)[C@H](C)Oc2ccccc2F)o1	753890289	ARYZPIXPOGRVDQ-NSHDSACASA-N	320.320	1.885	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)NC2CCCCC2)CCC1	751540365	AAEWSRWJBMLKEG-UHFFFAOYSA-N	311.382	1.383	50	20	DDGD	
Cc1nc2n(n1)C[C@H](NC(=O)NNc1cc(F)ccc1C)CC2	853647210	SRZGLDCKWQSPQB-GFCCVEGCSA-N	318.356	1.675	50	20	DDGD	
C[C@H](Cn1ccnc1)NC(=O)NC[C@]1(C)C[C@@H]1Br	856719362	QLKIAAUDEMIUON-SCVCMEIPSA-N	315.215	1.744	50	20	DDGD	
COc1ccnc(NNC(=O)Cc2ccn(-c3ccccc3)n2)n1	756912504	ZYMWXHCNCAENQC-UHFFFAOYSA-N	324.344	1.357	50	20	DDGD	
COC(=O)Nc1cc(C(=O)NNC(=O)C2CCC2)ccc1F	932516137	CJSDUSZKDAYCKV-UHFFFAOYSA-N	309.297	1.565	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H]2CCN(C(C)(C)C)C2)n1	852469445	VMDHRBBWYLEEBV-NSHDSACASA-N	307.398	1.589	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1cccc(C(N)=O)c1	755587408	UIJRULZGWSVXTE-ZDUSSCGKSA-N	316.405	1.358	50	20	DDGD	
Cc1nc(CCCC(=O)NNc2nnc(C)c(O)n2)cs1	750232880	KNEUWHWOZFQQSH-UHFFFAOYSA-N	308.367	1.117	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@H](F)c1ccccc1	854283724	IHWPNQFHSNRMKP-GFCCVEGCSA-N	313.398	1.571	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NN=Cc1ccc(CO)cc1	853330057	IVQROOXPBQAREU-UHFFFAOYSA-N	321.377	1.544	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1cnn(Cc2ccccn2)c1	756739970	UTUOCDIFYIGONK-UHFFFAOYSA-N	314.349	1.279	50	20	DDGD	
CCC[C@H](O)CC(=O)NNc1nc2ccccc2c(=O)n1CC	750147466	WXEYDNRTPXXUHJ-NSHDSACASA-N	318.377	1.411	50	20	DDGD	
C[C@@H]1CCN(CC(=O)NNC(=O)c2cccs2)CC1(C)C	759922776	OHSUUOOCLMEMGN-LLVKDONJSA-N	309.435	1.877	50	20	DDGD	
CC(C)(C)NCCC(=O)NNC(=O)C(C)(C)c1ccccc1	932372795	HOFCOIXEIVQATP-UHFFFAOYSA-N	305.422	1.890	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)c2cn[nH]c2)[C@@H]1Oc1ccccc1	863153956	JIZWHVDYXJIMKQ-CABCVRRESA-N	314.345	1.752	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnn(C2CCOCC2)c1C	766825081	SDWIKWLVZPMMKR-UHFFFAOYSA-N	323.397	1.287	50	20	DDGD	
Cc1oc2ccccc2c1CC(=O)NNc1nccn(C)c1=O	768717552	VTTIKXBICFBMMM-UHFFFAOYSA-N	312.329	1.521	50	20	DDGD	
O=C(CCn1cc([N+](=O)[O-])cn1)NNc1nc2ccccc2[nH]1	768501224	CQFIMTYDOHGXMJ-UHFFFAOYSA-N	315.293	1.201	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1ccc(OC(F)F)cc1	763819760	CJGQLOGUMWBJFG-UHFFFAOYSA-N	315.276	1.030	50	20	DDGD	
NC(=O)NCc1ccc(C(=O)NNc2nc3ccccc3[nH]2)cc1	768503311	CDLCDJPSIDFQDK-UHFFFAOYSA-N	324.344	1.488	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNc1ncc(Cl)cc1Cl	867494402	YUBARLIJHCDXDU-VIFPVBQESA-N	305.165	1.746	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)OC(C)(C)C)c(OC)n1	765163173	QGGXFFVHWZLLMT-UHFFFAOYSA-N	312.326	1.660	50	20	DDGD	
CC(=O)CCCCCCNC(=O)/C(C#N)=C\c1cnn(C)c1	862078064	RDEXZKCZELEJRH-DHDCSXOGSA-N	302.378	1.983	50	20	DDGD	
CN(CC(=O)NNc1nc(-c2cccnc2)no1)C1CCC1	863865180	MHZJEKYWWIDQRF-UHFFFAOYSA-N	302.338	1.059	50	20	DDGD	
Cn1ncc(C(=O)NNCC(F)(F)C(F)(F)F)c1C(F)F	863094652	YTNOALVFTZVDLT-UHFFFAOYSA-N	322.184	1.790	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNc1nc2ccccc2[nH]1	768500685	RIPVPNRWZDSUGM-UHFFFAOYSA-N	303.366	1.655	50	20	DDGD	
O=C(CCc1ccccn1)NNC(=S)Nc1ccccn1	762990435	NSRSKFUUPUEEER-UHFFFAOYSA-N	301.375	1.427	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)[C@H]1CCSC1	762177506	FHKCSGJZKZWSBA-JTQLQIEISA-N	313.810	1.924	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)CCc1cncnc1	862289227	XVKUCQPSTSSYRD-UHFFFAOYSA-N	314.345	1.709	50	20	DDGD	
O=C(/C=C\CCc1ccccc1)NNC(=O)[C@H]1CCCCO1	868619578	PHYSDIZGBSJOQN-HYMFSAHRSA-N	302.374	1.892	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)c2ccc(C3CCCC3)cc2)N1	862460188	CRNIXHXMAIRAMO-CQSZACIVSA-N	315.373	1.384	50	20	DDGD	
Cc1ccccc1OCC(=O)NNC(=O)c1cccc(F)n1	763283518	MWASNTMQFWATPJ-UHFFFAOYSA-N	303.293	1.369	50	20	DDGD	
Cc1ccc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])nc1	761805495	RWNWYWCWUCJHBR-UHFFFAOYSA-N	314.301	1.827	50	20	DDGD	
Cc1cccc(NNC(=O)NC[C@@H]2CC(=O)N(C(C)(C)C)C2)n1	875749265	YCMQMLFBHFEMDN-LBPRGKRZSA-N	319.409	1.663	50	20	DDGD	
COCCN(C(=O)NCCSSC)C1CCOCC1	875569053	MCHUMXQKCPARNJ-UHFFFAOYSA-N	308.469	1.835	50	20	DDGD	
COCCOCC(=O)NN=Cc1nc2ccc(Cl)cc2n1C	872401313	PCBRKCCOMGXDLS-UHFFFAOYSA-N	324.768	1.340	50	20	DDGD	
O=C(CNC(=O)c1c(F)cccc1Cl)NNc1ccccn1	777534309	WJKOXUKZPGTKMM-UHFFFAOYSA-N	322.727	1.747	50	20	DDGD	
Cn1c(NNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)nc2ccccc21	879948182	WFAGTSPEZQBPBF-COPLHBTASA-N	300.362	1.832	50	20	DDGD	
Cc1nn(C)c(-n2cccn2)c1C(=O)NNc1ccnc(F)c1	779068754	CHXMAGRJIWEUQR-UHFFFAOYSA-N	315.312	1.205	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1Cc2ccccc21	772159194	IRTZMCHRTFVJAK-RISCZKNCSA-N	318.373	1.452	50	20	DDGD	
Cc1nc(C(C)C)ncc1C(=O)NNc1nc2ccccn2n1	879736188	LZQVQVBFNHHVFU-UHFFFAOYSA-N	311.349	1.708	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)N[C@@H]2CC23CCC3)c1	876426669	KDGMNCAKYLTVBW-CQSZACIVSA-N	317.389	1.955	50	20	DDGD	
CN(NC(=O)[C@H](c1c(F)cccc1Cl)N(C)C)C(N)=O	778411942	IYCJJKFAVOKELK-JTQLQIEISA-N	302.737	1.124	50	20	DDGD	
COc1c([N+](=O)[O-])ccc(C=NNC(=O)c2cc(C)[nH]n2)c1O	773069832	XHKRIJJDLGYRSD-UHFFFAOYSA-N	319.277	1.104	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1	878895081	BZHVLIXBLGHMEY-UHFFFAOYSA-N	312.345	1.142	50	20	DDGD	
CCO[C@H](C)c1ncc(C(=O)NNC(=S)NC(C)C)s1	1116139007	CNYRMVQFTNVGSE-MRVPVSSYSA-N	316.452	1.758	50	20	DDGD	
CO[C@@H]1COC[C@H]1NC(=O)NNc1cccc(F)c1Cl	875687536	PLRWCWOYHKJTMB-NXEZZACHSA-N	303.721	1.519	50	20	DDGD	
CS[C@H](C)CCC(=O)NNC(=O)c1c(C)nc2ccccn12	773209268	RFVMVEMCXVWCFP-SNVBAGLBSA-N	320.418	1.935	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc(Cl)c2ncccc12	775474438	OJUNONOHDGLKBP-UHFFFAOYSA-N	321.768	1.603	50	20	DDGD	
N#CSCCCNC(=O)[C@H]1CCCCN1C(=O)c1ccco1	773586656	WRJNATSORVLASM-GFCCVEGCSA-N	321.402	1.995	50	20	DDGD	
C=C[C@](C)(O)C(=O)NNC(=S)Nc1ccc(OC(C)C)cc1	874951555	WBVJRVQGBBMAPY-HNNXBMFYSA-N	323.418	1.728	50	20	DDGD	
CCC(=NNC(=O)C(=O)NC(C)C)c1cccc(OC)c1OC	872339061	WYVOLMGHJYEHAE-UHFFFAOYSA-N	321.377	1.459	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)sc1C	770075351	FNDVEQGFKUNEHO-UHFFFAOYSA-N	320.330	1.743	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CCCSC(C)(C)C	772216555	SMFJSTZZIHMXJU-JTQLQIEISA-N	318.439	1.787	50	20	DDGD	
C[C@@H](CBr)COC(=O)CCN1C(=O)CCC1=O	770315886	BUIDYTGUHXDEFB-QMMMGPOBSA-N	306.156	1.100	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1nc(SC)ncc1Cl	887140632	MOIWKWLUKUINJD-UHFFFAOYSA-N	312.782	1.416	50	20	DDGD	
N#CC1=CCN(CC(=O)N2CCN(Cc3ccco3)CC2)CC1	779586461	WWTNSEORINPVBG-UHFFFAOYSA-N	314.389	1.079	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccncc2)nn1[C@@H](C)C1CC1	777274589	MCOPLDDLHCHJGD-NSHDSACASA-N	313.361	1.632	50	20	DDGD	
Cc1ccc(CN(C)C(=O)NNC(=O)c2cccnn2)cc1C	883851878	BOFXXJINPPXTEW-UHFFFAOYSA-N	313.361	1.580	50	20	DDGD	
CC(C)CC(=O)N1CCCN(S(=O)(=O)CCCCl)CC1	882506834	YPKPVFAJMORBJR-UHFFFAOYSA-N	324.874	1.526	50	20	DDGD	
NC(=O)[C@H]1CCC[C@@H](C(=O)NNc2ncnc3ccsc23)C1	787125808	JURYLCPJTSBWCQ-DTWKUNHWSA-N	319.390	1.426	50	20	DDGD	
O=C(NNC(=O)C1(F)CCOCC1)c1cccc(Cl)n1	880697528	PUHSOKOQFBFVKT-UHFFFAOYSA-N	301.705	1.015	50	20	DDGD	
Cc1cc(C)cc(C2(C(=O)NNC(=O)C3CCOCC3)CC2)c1	883061851	JNRUDNLGLMTYPV-UHFFFAOYSA-N	316.401	1.909	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)c1cccnn1)SC	883478601	PVYLIFSGTBJCIA-UHFFFAOYSA-N	311.411	1.342	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2ccc(Cl)nn2)c2ccccc21	789907243	PCHFJMPTVFHPQG-SNVBAGLBSA-N	302.721	1.943	50	20	DDGD	
CCC(=O)N1CCC[C@@H](C(=O)NNc2ncncc2Cl)C1	781820565	UMXYPPRYNIRYSE-SECBINFHSA-N	311.773	1.222	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cccnn1)[C@H]1CCC[C@@H](C)C1	883684477	IKGUIGKBTCNSKX-WOPDTQHZSA-N	305.382	1.635	50	20	DDGD	
CS[C@@H](C(=O)NNC(=O)C1CCOCC1)c1ccccc1	883063760	BMCHGOZNLKKSHV-CYBMUJFWSA-N	308.403	1.665	50	20	DDGD	
Cc1ccc(OCCNS(=O)(=O)CBr)c(C)c1	782403013	UCGZRUBTTQMORR-UHFFFAOYSA-N	322.224	1.954	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C/c1ccc(N2CCOCC2)c(F)c1	786044600	POMFZRTUBWTYBW-UKTHLTGXSA-N	324.377	1.961	50	20	DDGD	
COc1cccc(NNC(=O)c2cccc3c2OCCO3)n1	780773013	LFSCIHQTNURRNH-UHFFFAOYSA-N	301.302	1.618	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C#Cc1ccc2c(c1)OCO2	899996430	KZKQKFPOTCZODE-UHFFFAOYSA-N	319.386	1.061	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)NN=c1cc[nH]cc1	897346792	ZQWHYDSYJPNHDT-ZDUSSCGKSA-N	320.393	1.640	50	20	DDGD	
C=C(CBr)CN1CCN(CC2CCOCC2)CC1	791461400	ULTGNIZNTJWAKD-UHFFFAOYSA-N	317.271	1.982	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@]1(C)CCc2ccccc2C1	798305632	YKWZJPILSXZWIQ-INIZCTEOSA-N	303.431	1.863	50	20	DDGD	
Cc1cc(NNC(=O)c2cnnn2C)ccc1Br	798982347	IIPBGRUMTFBVRV-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
CC(C)(C)OCCCC(=O)NNC(=O)c1ccc2c(c1)OCO2	794608264	IKDSGPDAXHYYCC-UHFFFAOYSA-N	322.361	1.772	50	20	DDGD	
C=C(CBr)COC(=O)[C@H]1CCCCS1(=O)=O	795598245	QBAMWWLLXANBIT-SECBINFHSA-N	311.197	1.448	50	20	DDGD	
Cn1ncc2c1C[C@@H](C(=O)NNc1nc3ccccc3[nH]1)CC2	799102703	NHVLAPSAOQKVCC-JTQLQIEISA-N	310.361	1.545	50	20	DDGD	
COC(=O)C1CCC(=NNC(=O)c2ccc(O)c(O)c2)CC1	794556997	MONWHXJSJZKVSC-UHFFFAOYSA-N	306.318	1.547	50	20	DDGD	
CO[C@@H](C(=O)NNc1cnc2ccccc2n1)c1cnn(C)c1	798993242	HNFKSKOCKOOACL-CQSZACIVSA-N	312.333	1.194	50	20	DDGD	
COC(=O)C(=O)NN=Cc1c(C)nc2scc(C3CC3)n12	1319192146	IZSYKJREHGMUFT-UHFFFAOYSA-N	306.347	1.205	50	20	DDGD	
O=C(NC[C@@H]1CCOC1)NNc1cccc(Br)n1	1326754869	HFIMCPFSLPCEFS-QMMMGPOBSA-N	315.171	1.507	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc(C#N)c2C)c(O)c1	1322718207	YCODFDOEIQKYJV-UHFFFAOYSA-N	309.325	1.956	50	20	DDGD	
C[C@H](CC(=O)NNc1nncc(N)c1Cl)[C@@H]1CCCNC1	1326302817	KREKZHYLNYURRQ-RKDXNWHRSA-N	312.805	1.181	50	20	DDGD	
CCc1ncsc1C(=O)NNC(=O)c1ccc(OC)cc1	1253448504	FOKKUVPBXVDQGD-UHFFFAOYSA-N	305.359	1.789	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@H]1C[C@H]1F	1338878227	DBUCSKXNPLSSCS-BKDNQFJXSA-N	300.717	1.613	50	20	DDGD	
CC(C)(C)n1ncc2c(O)nc(NNC(=O)c3ccon3)nc21	1253272923	MGQGQRMTFKAVDS-UHFFFAOYSA-N	317.309	1.032	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N[C@@H]2CC23CCC3)C[C@H]1Br	1330372851	KGSPTOBQQDZUGG-KBVBSXBZSA-N	315.211	1.335	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCSC[C@H]1CO	1337159905	UAVNXFDFOYPFNN-BWODNOAJSA-N	304.371	1.235	50	20	DDGD	
CC(C)CC(=O)N1CCCC[C@H]1C(=O)NNc1ccccn1	1346735428	PSNMTUIBVMMCJR-ZDUSSCGKSA-N	304.394	1.952	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)[C@H]2CCc3nnc(O)n3C2)c1	1346936557	XEQMWOFVBDWFNM-VIFPVBQESA-N	305.313	1.137	50	20	DDGD	
O=C(C[C@@H]1C[C@H]2CC[C@H]1O2)NNC(=S)Nc1ccccn1	1349006427	NDVZPDKFRRRGBY-HBNTYKKESA-N	306.391	1.357	50	20	DDGD	
O=C(/C=C/c1nccs1)NNC(=O)CCc1ccccc1	1346614514	SJSSUASVAMZVOM-CMDGGOBGSA-N	301.371	1.937	50	20	DDGD	
C[C@@H]1[C@@H](C(=O)NNC(=O)c2ccc3ccccc3n2)C1(F)F	1346196562	QOSAFNVOIVUEQX-PELKAZGASA-N	305.284	1.897	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)Nc1ccc(C(=O)O)s1	1608483913	DNVPTTZYGASYOK-UHFFFAOYSA-N	318.318	1.638	50	20	DDGD	
C[C@H](OCc1ccccc1)C(=NNC(=O)C(=O)O)C(F)(F)F	1609803185	YPDZZSJICUYKHG-QMMMGPOBSA-N	318.251	1.711	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)Nc2ccc(C(=O)O)nc2)c1	1607923282	ANSGIFGAESJWIJ-UHFFFAOYSA-N	320.330	1.616	50	20	DDGD	
C[C@@](C#N)(CC(=O)O)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	1609693078	TUEXPTYWNZYEAI-LBPRGKRZSA-N	310.241	1.182	50	20	DDGD	
O=C(O)CCSc1cccc(NC(=O)NNC(=O)C2CC2)c1	1602033422	OJDRFQJGIFJIPE-UHFFFAOYSA-N	323.374	1.816	50	20	DDGD	
CC[C@H](NNC(=O)[C@H](C)Oc1cccc(Cl)c1)C(=O)O	1605100078	XOHMACWNWBYLLH-KWQFWETISA-N	300.742	1.591	50	20	DDGD	
O=C(NN=Cc1ccc2[nH]ccc2c1)[C@H]1CN2CCC[C@H]2CO1	1549320298	LRCIYWVSSGJOCO-GOEBONIOSA-N	312.373	1.481	50	20	DDGD	
O=C(NN=C1CCC[C@@H](C(=O)O)C1)c1n[nH]c2c1CCCC2	1610699194	LQXRJSZZIQJCST-SECBINFHSA-N	304.350	1.649	50	20	DDGD	
Cc1occc1C=NNC(=O)[C@@H]1CCCO[C@@H]1c1nccn1C	1549315882	MWNZCYRBLZUBSP-KGLIPLIRSA-N	316.361	1.940	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(C(=O)O)cn2)c(C)o1	1610436711	LZVBLWOFWNOYME-UHFFFAOYSA-N	303.274	1.064	50	20	DDGD	
CCO[C@@H]1CCCC(=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)C1	1550354625	RUHHVUMCCFSULH-RBSFLKMASA-N	309.410	1.301	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)c1occc1N	1579310188	XRRMIFIYCZGWIR-UHFFFAOYSA-N	306.347	1.502	50	20	DDGD	
NCCCn1ccc(C(=O)NNc2cccc3cnccc23)n1	1580304346	MRKYNQCAQGSNBT-UHFFFAOYSA-N	310.361	1.537	50	20	DDGD	
CC(C)[C@@H](C(=O)O)C(=O)NNC(=O)Cn1ccc2ccccc21	1588808064	PFRGAIOPVHIRPO-CQSZACIVSA-N	317.345	1.146	50	20	DDGD	
Nc1ccoc1C(=O)NNC(=O)c1cncn1-c1ccccc1	1580464149	MAWFSRXQJFXWSX-UHFFFAOYSA-N	311.301	1.122	50	20	DDGD	
Cn1nc(C(=O)O)cc1C(=O)NNc1ccc2ccccc2n1	1594568059	HGGIEJNCEKFVQT-UHFFFAOYSA-N	311.301	1.423	50	20	DDGD	
O=C(NCc1ccc(-c2nn[nH]n2)cn1)NNc1ccccc1	1593134802	BRSPIVVDYVFCNF-UHFFFAOYSA-N	310.321	1.088	50	20	DDGD	
O=C(NNc1ccc(F)cc1)c1csc(-c2nn[nH]n2)c1	1593163928	NEAKZQCAOJPRIG-UHFFFAOYSA-N	304.310	1.824	50	20	DDGD	
O=C(O)Cc1ccccc1NC(=O)NNC(=O)[C@@H]1CCCCO1	1595136529	LGSSPRPMKQPYMH-LBPRGKRZSA-N	321.333	1.036	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)Cn2c(C)cc(O)cc2=O)c1	158668556	ARHFLVVHDNGLKI-UHFFFAOYSA-N	301.346	1.622	50	20	DDGD	
COC(=O)NNC(=O)[C@H](C)Oc1ccccc1C(F)(F)F	158772293	IMOJNBMXKACENA-ZETCQYMHSA-N	306.240	1.860	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@H]1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	158832188	CMJZQRNZXUDKEZ-NOZJJQNGSA-N	319.317	1.361	50	20	DDGD	
N#Cc1cccc(NNC(=O)COc2ccc([N+](=O)[O-])cc2)c1	152448714	WGVBCGGSWIVWJH-UHFFFAOYSA-N	312.285	1.989	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccncc2F)c(C)c1	155606135	GHCNCTNOJPOOIX-UHFFFAOYSA-N	316.336	1.711	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)O1	155623619	IHZLZVVORIKJNB-HZMBPMFUSA-N	314.345	1.405	50	20	DDGD	
CC(C)(Oc1ccc(C#N)cc1)C(=O)NNC(=O)c1ccc[nH]1	157197865	RMVHLSGMEZJWMA-UHFFFAOYSA-N	312.329	1.505	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNc2ccc(C(N)=O)nn2)CC1	154353496	GEEIQOCNWGEZLG-UHFFFAOYSA-N	311.345	1.059	50	20	DDGD	
Cc1ccc(CCC(=O)NCC(=O)NNC(=O)C(C)(C)C)cc1	156590812	YIEDIQKPFSJXGT-UHFFFAOYSA-N	319.405	1.237	50	20	DDGD	
Cc1cccc(F)c1NC(=O)C(=O)NNC(=O)c1ccccc1	159492925	ZQAWAPRWRYUDFS-UHFFFAOYSA-N	315.304	1.534	50	20	DDGD	
CN(C)C1(CN(C)S(=O)(=O)CC(C)(C)CCl)CCC1	867156228	NGNBRKCMEXLBQE-UHFFFAOYSA-N	310.891	1.997	50	20	DDGD	
O=C1CC[C@H]2CN(CCI)CC[C@@H]2N1	852497391	VKQUEFMOSKXJSG-IUCAKERBSA-N	308.163	1.022	50	20	DDGD	
C[C@H](c1ccccc1)[C@](C)(O)C(=O)NNC(=O)c1ccc[nH]1	175944347	UHJPDXODMPBXCB-BZNIZROVSA-N	301.346	1.330	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2cccc(C)c2)n1	175245450	OCDVPVPAXIVEGP-UHFFFAOYSA-N	301.350	1.928	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2n[nH]c3ccccc23)cc1	58168840	NMPLKTHBAVANKY-UHFFFAOYSA-N	323.356	1.744	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)COCCOc1ccccc1	103197757	NOOSRXGYWBTCHO-UHFFFAOYSA-N	308.378	1.666	50	20	DDGD	
CCN(CC)[C@@H](CNC(=O)NNc1cccnn1)CC(C)C	172441321	JQURGHXOZHYHRW-CYBMUJFWSA-N	308.430	1.859	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2nc(-c3ccccc3)no2)CC1	174744219	BOGGPVQUGJXQKS-UHFFFAOYSA-N	316.317	1.523	50	20	DDGD	
CNC(=O)NNC(=O)c1cccc(OCc2cccs2)c1	56376483	CUCPIQZBQCKVCJ-UHFFFAOYSA-N	305.359	1.901	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)c1	21601258	UCMSZGPUHHLEDR-UHFFFAOYSA-N	309.329	1.235	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CSc2ccccc2Cl)cn1	117682069	KVFGFFQJIABJMM-UHFFFAOYSA-N	324.793	1.627	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCS[C@H](C)[C@@H]1C	118415969	DJYZJNBCESRWOO-SDDRHHMPSA-N	301.456	1.394	50	20	DDGD	
O=C(NNc1ncccn1)Nc1cccnc1Br	119521565	VDMCXGNISCGEHL-UHFFFAOYSA-N	309.127	1.783	50	20	DDGD	
Cc1ccc(C(=O)NNC(=S)NCCc2cccs2)cn1	25648170	XNBLMTSEYDUWLW-UHFFFAOYSA-N	320.443	1.803	50	20	DDGD	
Cc1nn(C)c2ncc(C(=O)NNC(=O)CC3CCCC3)cc12	170856585	HAMWZWXWKKLFDU-UHFFFAOYSA-N	315.377	1.618	50	20	DDGD	
O=C(CCc1cscn1)NNC(=O)NCCc1cccs1	171204652	FOEBIURTGRJPIR-UHFFFAOYSA-N	324.431	1.710	50	20	DDGD	
COc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1c[nH]nc1C	110758650	RGICYXYMYCLDRI-NWDGAFQWSA-N	314.345	1.291	50	20	DDGD	
Cc1ncccc1NC(=O)C(=O)NNc1ccccc1[N+](=O)[O-]	119170051	SXICACGTMLASSX-UHFFFAOYSA-N	315.289	1.380	50	20	DDGD	
FC(F)(F)[C@@H]1CN(CCI)CCO1	306632248	BEQKSMSARVUSKO-LURJTMIESA-N	309.069	1.685	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNC(=O)Cc1ccc(F)cc1	24302895	KZVCZIJLTHJOEF-UHFFFAOYSA-N	305.309	1.363	50	20	DDGD	
O=C(CC[C@H]1CCCCO1)NNC(=O)Cc1ccccc1F	110310259	BBZWYXWLLQNQAN-CYBMUJFWSA-N	308.353	1.865	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)NCc1ccccc1	25108400	SSEJROSEZBLKLS-UHFFFAOYSA-N	317.320	1.735	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@H]2CCOC2)cc1	69318306	JENSOCIVKFCKAL-RYUDHWBXSA-N	322.361	1.037	50	20	DDGD	
CCCCOc1ncccc1CNC(=O)NNc1ncccn1	64768900	BRUJGGHASFKJEP-UHFFFAOYSA-N	316.365	1.877	50	20	DDGD	
Cc1cnn(CCC(=O)NNC(=O)c2c[nH]c3ccccc23)c1	127546881	OXCWWDRUDHFNIX-UHFFFAOYSA-N	311.345	1.524	50	20	DDGD	
CC(Cl)(Cl)C(=O)NNC(=O)[C@H]1COc2ccccc2O1	182324654	URLOSGTUBJVSDQ-SECBINFHSA-N	319.144	1.168	50	20	DDGD	
Cc1ccccc1[C@@H](O)CNS(=O)(=O)CCCCCl	184433485	PRQHXEGFTGITFI-ZDUSSCGKSA-N	305.827	1.967	50	20	DDGD	
CN(C)C(=O)NNC(=O)CCn1ccc2cc(Cl)ccc21	121099023	KBZRPDCGCOXEQA-UHFFFAOYSA-N	308.769	1.987	50	20	DDGD	
O=C(Cc1ccc2c(c1)NC(=O)C2)NNc1ccnc(F)c1	183962703	OIWWIEOKSUCNSX-UHFFFAOYSA-N	300.293	1.401	50	20	DDGD	
Cc1nn(-c2ccccc2)c2nc(C(=O)NN(C)C(N)=O)ccc12	182644059	UJUKJVZIQFAMBC-UHFFFAOYSA-N	324.344	1.384	50	20	DDGD	
COC[C@@H]1CN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C[C@H](C)O1	188210080	BUSPCDJBRDOGOF-HJJRVNITSA-N	318.348	1.995	50	20	DDGD	
O=S(=O)(CBr)N1CCC[C@H]1c1cccnc1	127015495	HAKFATABYIYESO-JTQLQIEISA-N	305.197	1.901	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)N[C@@H]1CCCOCC1	181825133	IRRVAIXFGSUUGS-CQSZACIVSA-N	305.378	1.519	50	20	DDGD	
CCC[C@@H](C)N1C[C@@H](C(=O)NNC(=O)c2ccccc2)CC1=O	125989394	NNSZCIQORWIEGL-OCCSQVGLSA-N	317.389	1.485	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)c1c(C)nc2ccccn12	79337082	NWHZOYPJBNWJKH-UHFFFAOYSA-N	316.361	1.387	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ccc(F)cc2)c(C)n1	181391629	ZFQJOYTYOGXJSP-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)c2c[nH]c3ccccc23)CC1	72814631	QAJIMORATBQPOH-UHFFFAOYSA-N	315.329	1.272	50	20	DDGD	
CC(=O)N1CCCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CC1	181967303	LYILRZOYAJGZGZ-PTNGSMBKSA-N	315.348	1.813	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)c2ccc3ccccc3n2)c[nH]1	183622074	UQHNSCNHFGUFOL-UHFFFAOYSA-N	305.297	1.509	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)COc2cccc(C)c2)CC1	78359391	JZUBJHSHMASCOI-UHFFFAOYSA-N	305.378	1.894	50	20	DDGD	
Cc1ccc2ncc(C(=O)NNc3ccnc(F)c3)c(=O)n2c1	182490299	NTGIXDYZJOLQNZ-UHFFFAOYSA-N	313.292	1.294	50	20	DDGD	
Cc1noc(CCCC(=O)NNC(=O)c2ccccc2C)n1	46753523	DHKZLNWFHKRDER-UHFFFAOYSA-N	302.334	1.470	50	20	DDGD	
Cc1ccnc(O)c1C(=O)NNC(=O)CCCc1ccccc1	181029418	ZPFBXGROJNRWIP-UHFFFAOYSA-N	313.357	1.880	50	20	DDGD	
COCc1c(C(=O)NNc2ncccn2)cnn1-c1ccccc1	184339977	QRACQTPLXPIHIJ-UHFFFAOYSA-N	324.344	1.566	50	20	DDGD	
COc1ccc(COCCC(=O)NNC(=O)C(C)(C)C)cc1	134613628	PJBAVEKTUMDTTL-UHFFFAOYSA-N	308.378	1.795	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNC(=O)c2ccncc2)s1	193880997	WXANWPDPJXUKIH-UHFFFAOYSA-N	304.375	1.910	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCC(=O)N2CCCCC2)n1	46234830	PFLTYJDWKLJORF-UHFFFAOYSA-N	320.397	1.122	50	20	DDGD	
Cc1cccc(S(=O)(=O)NNC(=O)NC2CCCCC2)c1	192734555	AZYAJLDESQWJLC-UHFFFAOYSA-N	311.407	1.820	50	20	DDGD	
O=S(=O)(CCCCCl)NNc1ncnc2ccsc12	190805333	KFMVMSVHVOWINM-UHFFFAOYSA-N	320.827	1.957	50	20	DDGD	
CC(C)N(C)CC(=O)NNC(=O)c1ccc(Cl)cc1F	82985166	XOPVLYSJQIKJAF-UHFFFAOYSA-N	301.749	1.580	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)NC[C@@H]1CCCO1	42870026	DPROYXDRTWICNV-LBPRGKRZSA-N	316.361	1.220	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccc[nH]2)c1[N+](=O)[O-]	195325746	HCLDGTMKODDDAT-UHFFFAOYSA-N	304.262	1.006	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@@H]1COc2ccccc2C1	194435766	NRROFXYCXNTAOG-LBPRGKRZSA-N	315.329	1.361	50	20	DDGD	
Cc1nn(-c2ccccc2)c(C)c1C(=O)NNC(=O)N(C)C	194930191	GEUBDLZOJJXRCQ-UHFFFAOYSA-N	301.350	1.405	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)n1	249522474	OIJXVKCRLPKDKL-BXUZGUMPSA-N	320.441	1.840	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCCc3cn[nH]c32)o1	268946751	HFEPBAKUPVKBIG-JTQLQIEISA-N	303.322	1.333	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNc1ccc([N+](=O)[O-])cc1	269064025	RDECXYASJPAYCJ-UHFFFAOYSA-N	310.310	1.563	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2CCCCO2)c1	269355135	PIOVGTHWTKDTTN-ZDUSSCGKSA-N	308.334	1.034	50	20	DDGD	
CCC[C@H](NNC(=O)CCOc1ccccc1)C(=O)OCC	266476639	PBQOWKYGXDFOGL-AWEZNQCLSA-N	308.378	1.808	50	20	DDGD	
CCCCS[C@H](C)C(=O)NNc1nc(O)c2cnn(C)c2n1	269303901	KSCSQSDWPLJAFV-MRVPVSSYSA-N	324.410	1.434	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)CCCCCl)C[C@@]2(CCOC2)O1	366509311	UCLQQXSAVKXJRA-VXGBXAGGSA-N	311.831	1.215	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cccc(OC)c1	276549766	KEUTZSQTOJWNPB-UHFFFAOYSA-N	310.350	1.245	50	20	DDGD	
C[C@@H]1CCC[C@@H]1CC(=O)NNC(=O)CNC(=O)c1cccs1	274406975	NPHGFAZQYIWPGW-GHMZBOCLSA-N	323.418	1.452	50	20	DDGD	
Cc1ccccc1[C@@H](C)CC(=O)NNC(=O)N1CCN(C)CC1	278590802	KIVIBBYYQIQORC-AWEZNQCLSA-N	318.421	1.477	50	20	DDGD	
CC(C)n1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C(C)(C)C)cn1	278011923	XKQDEWFXKNOOLR-STQMWFEESA-N	322.409	1.676	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)CC(C)(C)OC)c1	278739787	QUXQZNUAUOEEBN-UHFFFAOYSA-N	309.366	1.070	50	20	DDGD	
CCc1ccc(S(C)(=O)=O)cc1C(=O)NNC(=O)C1CCC1	270396589	DIDSWTCIJLOXEB-UHFFFAOYSA-N	324.402	1.214	50	20	DDGD	
CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1CCC1	277544931	ZQFSPCDVCFTOTK-JSGCOSHPSA-N	320.393	1.489	50	20	DDGD	
Cc1nc(-c2cccc(NC(=O)NNC(=O)C3CC3)c2)n[nH]1	274105313	KOHGLFRGACCVDR-UHFFFAOYSA-N	300.322	1.343	50	20	DDGD	
CCCc1c(C(=O)NN(C)C(=O)NCC)[nH]c(C)c1C(=O)OC	271348937	KVSPOVXQQFOMIK-UHFFFAOYSA-N	324.381	1.368	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)[C@H]1C[C@@]12CCOC2	373420950	FAMNNDSMZZUBOJ-MEBBXXQBSA-N	300.318	1.205	50	20	DDGD	
C[C@H](OC[C@@H]1CCCCO1)C(=O)NNC(=O)Nc1ccccc1	282933888	ZHLOGOCNZMPZHV-JSGCOSHPSA-N	321.377	1.814	50	20	DDGD	
O=C(C[C@@H]1CCCC(=O)N1)NNc1ncnc2ccsc12	289751754	JDYAGQMRRZCBQX-QMMMGPOBSA-N	305.363	1.193	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1nc(C2CC2)cs1	288085013	NTVCYANDTBHHBA-ZETCQYMHSA-N	310.379	1.153	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCC1([S@@](C)=O)CC1	282051527	BRLCJXBGRDQLHL-JOCHJYFZSA-N	324.406	1.242	50	20	DDGD	
C[C@@](O)(CCc1ccccc1)C(=O)NNC(=O)c1ccc[nH]1	282992583	WVNSTOUVFABAOH-MRXNPFEDSA-N	301.346	1.160	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)COCC(F)(F)F	280893429	DDQRERJPCAKSFA-UHFFFAOYSA-N	305.256	1.727	50	20	DDGD	
C[C@H](CCC(=O)NNC(=O)N1CCN(C)CC1)c1ccccc1	288087185	VPJWYADQFQBITD-CQSZACIVSA-N	318.421	1.559	50	20	DDGD	
COCCCONC(=O)NNC(=O)c1ccc(Cl)cc1F	288105741	UZOAKJRDZWRHQV-UHFFFAOYSA-N	319.720	1.391	50	20	DDGD	
COCCCONC(=O)NNC(=O)c1cc2ccccc2o1	288102680	UTOYUNLEOSQZQR-UHFFFAOYSA-N	307.306	1.345	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN(c2ccccc2F)C1)NC1CC1	290625208	XJQRWQDYLVWHIU-SNVBAGLBSA-N	306.341	1.145	50	20	DDGD	
O=C(NNC(=O)c1ccnc(F)c1)Nc1ccc2c(c1)OCO2	802100840	CYGZQWVYZIVGMD-UHFFFAOYSA-N	318.264	1.416	50	20	DDGD	
O=C(NNc1nccc(N2CCOCC2)n1)C1=CCCCCC1	290558922	QQQBZTKIAFDDSD-UHFFFAOYSA-N	317.393	1.647	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)nc1O	806365136	OMNIPRQGLIXCCB-QJPTWQEYSA-N	305.382	1.935	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)N2CCc3cc(F)ccc32)cc1	802568368	YCNLCKQICLZPQL-UHFFFAOYSA-N	324.315	1.730	50	20	DDGD	
CCO[C@H]1C[C@H](NC(=O)NNc2ccncn2)C12CCCC2	296467069	MLFSNSPDYFLLHY-RYUDHWBXSA-N	305.382	1.841	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@H](C)CCOCc1ccccc1	807607930	TVAIJYGWIXGNTR-CYBMUJFWSA-N	307.394	1.968	50	20	DDGD	
CSSCCNC(=O)N1CCCC[C@H]1C1OCCO1	807227052	XCCTUKQWJZCBLV-JTQLQIEISA-N	306.453	1.935	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCC(C)(C)[N+](=O)[O-])nc1	295622161	WMCLLRNJPARDQZ-UHFFFAOYSA-N	310.310	1.147	50	20	DDGD	
O=C1COc2cc(C(=O)NNc3cccc(F)n3)ccc2N1	804768792	VTDHYUFFZWLMDN-UHFFFAOYSA-N	302.265	1.309	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1cnnc(-c2ccccc2)c1	809936822	BGSGQVPUXUWMCA-UHFFFAOYSA-N	319.324	1.613	50	20	DDGD	
C[C@H](CNC(=O)NNc1ccncn1)N1CCc2ccccc21	296691694	YHJUMALXOVGPTQ-GFCCVEGCSA-N	312.377	1.554	50	20	DDGD	
COC(=O)N(C)NC(=O)C1(Cc2cccc(F)c2)CCOCC1	293538633	CORAVWFWDRWSAY-UHFFFAOYSA-N	324.352	1.894	50	20	DDGD	
Cn1nncc1NC(=O)NNC(=O)Cc1ccc2ccccc2c1	809909275	VTGQQRSEHWLYCG-UHFFFAOYSA-N	324.344	1.364	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)CCc1ncccn1	812497453	ZXUOURTXABJZIG-UHFFFAOYSA-N	312.373	1.580	50	20	DDGD	
Nc1ncc2c(n1)CCCC2=NNC(=O)c1ccc(Cl)nc1	814808570	BYRPENRGZQOHMX-UHFFFAOYSA-N	316.752	1.578	50	20	DDGD	
COC(=O)C(C)(C)CC=NNC(=O)c1c(C)nc2ccccn12	814718289	QTOMHBDJLYSMAT-UHFFFAOYSA-N	316.361	1.948	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)CCc1ccc(Cl)cc1	819879851	SHNWHPIGBCTTSQ-UHFFFAOYSA-N	319.814	1.378	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)N=c2cc[nH]cc2)[C@H](C)C1	815003191	ITTUPZJIRHKOMT-NEPJUHHUSA-N	318.377	1.980	50	20	DDGD	
COC(=O)C(C)(C)CC=NNC(=O)COc1ccccc1C#N	814743663	LAVLMDBFIKGGPL-UHFFFAOYSA-N	317.345	1.628	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccn(-c2ccc(F)cc2)n1	817082923	QKHJQCYPVZEMAC-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
O=C(NNc1ncncc1F)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42	817080777	DLRYIJUNPJFONK-GCXGXSGTSA-N	300.337	1.453	50	20	DDGD	
CC(C)CN1N=C(C(=O)NNc2cccc(Cl)n2)CCC1=O	817010882	VQFYYNNMDVUOGR-UHFFFAOYSA-N	323.784	1.813	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)COc2ccccc2OC)C1	819806773	VXTPDFJCMXRPDJ-UHFFFAOYSA-N	320.345	1.519	50	20	DDGD	
CC(C)CCO[C@@H](C)C(=O)NNc1cccc(-c2nn[nH]n2)c1	824249781	UIVDHCKTOYEPRW-NSHDSACASA-N	318.381	1.761	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1	495761018	GCZJOSYUIXNYLF-QMMMGPOBSA-N	313.335	1.805	50	20	DDGD	
CC(C)n1nccc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	824377753	MJJAERSDVDJHAZ-UHFFFAOYSA-N	312.337	1.401	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NOCC2CCC2)cc1	824118139	SMFDMSFYWGZVSQ-UHFFFAOYSA-N	307.350	1.760	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)c(C)c1	494639185	CXLRCELOCLBYNX-UHFFFAOYSA-N	321.377	1.589	50	20	DDGD	
O=C(CC1CCSCC1)NNc1cccc(-c2nn[nH]n2)c1	826404854	NTGFTXQJVCKXLV-UHFFFAOYSA-N	318.406	1.843	50	20	DDGD	
CN(NC(=O)CNC(=O)Cc1ccccc1)C(=O)OC(C)(C)C	495980020	OVPAAVHBHLIKLA-UHFFFAOYSA-N	321.377	1.243	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccc(-c2cnco2)cc1	728851500	GPQSKHMHVIDKFK-UHFFFAOYSA-N	322.324	1.740	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cc2c(s1)CCOC2	728603268	STXRRBWQMKQNER-UHFFFAOYSA-N	308.281	1.534	50	20	DDGD	
C[C@@H]1CCCC1=NNC(=O)c1csc(N2CCOCC2)n1	729144334	UBPRJRZLBDLHFR-SNVBAGLBSA-N	308.407	1.886	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCCCC(=O)O)cc1	820480023	PHYBQYWSYFVLHW-UHFFFAOYSA-N	307.350	1.448	50	20	DDGD	
COc1nccnc1NNC(=O)c1cn(CC(F)F)nc1C	822871084	DZCPOBQRJLCLRM-UHFFFAOYSA-N	312.280	1.012	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccnc(OCc2ccccc2)c1	823965671	RMGYZGCMIQBWCI-ZDUSSCGKSA-N	315.373	1.618	50	20	DDGD	
CC[C@@H](CN1CCCC1)NC(=O)/C(C#N)=C/c1cnn(C)c1	825988287	WKUSSAJIHHFXGF-NHXNDTTKSA-N	301.394	1.318	50	20	DDGD	
CC(C)CC(C)(C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C	494456975	VMVDJPSSWDHWRX-UHFFFAOYSA-N	315.414	1.731	50	20	DDGD	
COc1ncccc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	826222118	IYMMUGDZXGAYTK-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
Cc1cccnc1[C@@H](NCC(=O)NNC(=O)C(C)C)C(C)C	828310769	GWVFBBRPEXPKES-AWEZNQCLSA-N	306.410	1.480	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC1CC1)N(C)C(=O)OC(C)(C)C	823768045	NJUZTSXTOJJYJE-JTQLQIEISA-N	314.386	1.125	50	20	DDGD	
O=C(Cc1cccc(CC(F)(F)F)c1)N1CC[C@H](B(O)O)C1	585064135	MTIRQOFIBBVLPG-LBPRGKRZSA-N	315.100	1.409	50	20	DDGD	
C=C[C@@H](CC)CC(=O)OCC(=O)NNC(=O)c1cccc(C)c1	909526554	ZJOOCGZNXXPRFN-ZDUSSCGKSA-N	318.373	1.902	50	20	DDGD	
OB(O)c1ccccc1CN[C@H]1CC[C@@H](c2ccc(F)cc2)C1	585039283	RNROFGLMQGIYCT-PBHICJAKSA-N	313.181	1.931	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2nc(CC(=O)O)cs2)o1	832911413	DYARVHYONFEZMM-UHFFFAOYSA-N	324.318	1.138	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccnc(N2CCCCC2)n1	739696734	QVMOZEANCZVTLU-UHFFFAOYSA-N	305.382	1.274	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2nn(-c3ccccc3)cc2O)[C@H](C)O1	834930745	KWRNWDYRDKRWDD-QWRGUYRKSA-N	314.345	1.861	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H](c1ccccc1)N1CCCCC1=O	731223801	ONXBYEQGYNGHRY-OAHLLOKOSA-N	317.389	1.544	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NC[C@@H](C)SC)ccc1F	838526436	TWVLSUFZJCQART-MRVPVSSYSA-N	315.370	1.990	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)N[C@H]1C[C@H]2CCCCN2C1=O	838741314	GIBQQHGIHAKUIT-MNOVXSKESA-N	323.784	1.515	50	20	DDGD	
CC1(C)C[C@@H](NCc2ccc(B(O)O)o2)c2cc(F)ccc2O1	585045584	JGRBARXDSOMIID-CYBMUJFWSA-N	319.141	1.491	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1ccc(C(=O)O)c(F)c1	833148203	DRJNFLGXPXCKHK-UHFFFAOYSA-N	310.672	1.724	50	20	DDGD	
Cn1cc(Cl)c(CNC(=O)NNC(=O)CC(C)(C)C)n1	836581410	LEURTBFCZYWAHT-UHFFFAOYSA-N	301.778	1.340	50	20	DDGD	
C[C@@H](C[C@@H](C)N)NC(=O)NNC(=O)Cn1ccc2ccccc21	831212901	XZUIDPQECUMYMU-NEPJUHHUSA-N	317.393	1.098	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N(CC1CCCCC1)C1CC1	584933269	YGHJHLJAJFGWLZ-UHFFFAOYSA-N	301.195	1.551	50	20	DDGD	
CS(=O)(=O)/C(C#N)=C/c1ccc(N2CCC(O)CC2)cc1	905070966	OQXSTBIAOGLLSF-XNTDXEJSSA-N	306.387	1.557	50	20	DDGD	
COc1cccc(C[C@H](NCc2ccc(B(O)O)o2)C2CC2)c1	585032113	PTUXUKTYXCDSHJ-INIZCTEOSA-N	315.178	1.079	50	20	DDGD	
Cc1sc(CNCc2cccc(B(O)O)c2)nc1C(C)C	585020259	QQFKQOYQELOGAP-UHFFFAOYSA-N	304.224	1.545	50	20	DDGD	
CN(C(=O)c1ccc(B(O)O)cc1)c1ccc(C(C)(C)C)cc1	584934078	OTEWMMJBGUXEIZ-UHFFFAOYSA-N	311.190	1.941	50	20	DDGD	
C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NNc1cnccn1	734245207	PRBZCBVDYIZJME-LLVKDONJSA-N	309.329	1.435	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@@H]1C[C@H]1C(=O)O	737268023	XDNAGNAVFSXBSE-GHMZBOCLSA-N	321.402	1.596	50	20	DDGD	
CC1(C)Cc2ccsc2CN1C(=O)c1cccc(B(O)O)c1	584998916	SDUAPEDDJJIRNV-UHFFFAOYSA-N	315.203	1.405	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)c1ccnc(N(C)C)c1	731561639	QBQUORPXFQWITP-UHFFFAOYSA-N	300.366	1.262	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2ccccc2O1)[C@H]1CCCCO1	839780568	BOHDXCJIDKLFJE-ZIAGYGMSSA-N	304.346	1.097	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)NCc1cocn1	730831086	WIPMTMDKFARBLP-UHFFFAOYSA-N	324.340	1.901	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2C1	839472961	ALQLALJLGXLZJT-SZEHBUNVSA-N	323.374	1.299	50	20	DDGD	
CCOc1ccc(Cl)cc1C(C)=NNC(=O)C(=O)NC1CC1	735972902	XXOAYKYEZQRCTP-UHFFFAOYSA-N	323.780	1.858	50	20	DDGD	
Cc1ccc([C@@H](C)N(C)C(=O)c2cccc(B(O)O)c2)c(C)c1	584928066	MTRNGODBGPUAPS-CQSZACIVSA-N	311.190	1.816	50	20	DDGD	
CCO[C@@H]1COCC[C@@H]1NC(=O)NNc1ncc(F)cc1F	838552262	OJPKUTCPKNLILE-WDEREUQCSA-N	316.308	1.180	50	20	DDGD	
O=C(NCC1CCC1)NNC(=O)Nc1ccc2c(c1)OCO2	836216603	LGZYXYKUWWUKFU-UHFFFAOYSA-N	306.322	1.551	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(C(=O)NNC(=O)NC(C)C)cc1Cl	836505585	PFRSDNIUWLXBFS-UHFFFAOYSA-N	314.729	1.909	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccccc1NC(=O)OC(C)(C)C	910160024	FFIBHZDDFHKHHU-NSHDSACASA-N	323.393	1.991	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2cccc(C(F)(F)F)n2)c[nH]1	740141975	ZZUNTPRHZFBHIB-UHFFFAOYSA-N	313.239	1.284	50	20	DDGD	
O=C(NNC(=O)Nc1ccc2c(c1)OCO2)NOCC1CC1	838615743	YPYSUZWRMKZMBS-UHFFFAOYSA-N	308.294	1.093	50	20	DDGD	
Cc1cc(C=NNC(=O)c2c[nH]nc2C)ccc1-n1cncn1	743440409	MIUVGQPEXOMZSE-UHFFFAOYSA-N	309.333	1.371	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NNC(=O)C(C)(C)c1ccccc1	746239103	CSTUFMUUKGFEBV-ZIAGYGMSSA-N	317.433	1.984	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCCCC(=O)O)c(F)c1	840992611	WVKCHVVBYWRZKA-UHFFFAOYSA-N	313.285	1.103	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)[C@@H](C)OCCOC)cc1	748254320	YOSDNRQAUCBZOW-CYBMUJFWSA-N	308.378	1.977	50	20	DDGD	
CC(=O)c1ccc(CC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	843646920	ROMPWDJOXXYXCY-BXUZGUMPSA-N	304.346	1.004	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1c(F)cc(C(F)(F)F)cc1F	910148776	XJZGTYXYODDUBV-LURJTMIESA-N	312.238	1.941	50	20	DDGD	
Cn1nc(C(=O)NN=Cc2cccs2)c2ccccc2c1=O	916316030	JDJPZXWMQWKSMB-UHFFFAOYSA-N	312.354	1.759	50	20	DDGD	
Cc1c(C=NNC(=O)N(C)C)c(=O)n(-c2ccccc2)n1C	745601892	JOAYXEYGHNNSSG-UHFFFAOYSA-N	301.350	1.090	50	20	DDGD	
CN[C@H]1CCN(C(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)C1	846662481	SNFODODJZVBWTO-MEWQQHAOSA-N	301.228	1.760	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	843654558	RTNJATMQUNBHHZ-ZJUUUORDSA-N	307.306	1.089	50	20	DDGD	
CS(=O)(=O)CC(=O)NN(Cc1ccccc1)c1ccccc1	919677723	GLYKNJFMWHHLMC-UHFFFAOYSA-N	318.398	1.769	50	20	DDGD	
CCc1ccc(NC(=S)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	843276919	KPRLWKHLVNZEOP-GXFFZTMASA-N	307.419	1.992	50	20	DDGD	
Cc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)OC(C)C	842590034	VSVZCKAONDXDED-UHFFFAOYSA-N	316.335	1.021	50	20	DDGD	
CCN(CCc1ccccn1)CC(=O)NNC(=O)C(C)(C)C	744390805	KKYRWDSJAIKQBS-UHFFFAOYSA-N	306.410	1.140	50	20	DDGD	
CC(C)C(=O)NNC(=O)C[C@@H](C)n1cc(Br)cn1	843756454	YITHSNCWRVVJMI-MRVPVSSYSA-N	317.187	1.400	50	20	DDGD	
CC[C@@H](C)n1nc(C(=O)NNC(=O)c2ncccn2)cc1C	841350885	UKGOVBVJAUIPMW-SECBINFHSA-N	302.338	1.027	50	20	DDGD	
O=C(NCCc1ccc([N+](=O)[O-])cc1)NNC(=O)C1CCCC1	919780575	FPPQZTQXYMQSQR-UHFFFAOYSA-N	320.349	1.658	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1coc(-c2ccccc2)n1	843651834	PEGCWILMKSBEIX-CMPLNLGQSA-N	315.329	1.528	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)N[C@@H]1CCN(CC(F)F)C1	841594820	NKFQUQHQHYSXBJ-SECBINFHSA-N	306.357	1.092	50	20	DDGD	
CNCCCNC(=O)NNC(=O)c1ccc(Cl)cc1F	841916753	PGDSSOSTVABKLT-UHFFFAOYSA-N	302.737	1.033	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(C)c1	842587090	VUYFGIVNSRGWEQ-NEPJUHHUSA-N	312.391	1.038	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COCC[C@@H]1c1ccccc1)c1ccc[nH]1	841378081	WRTGCZQSKUSGDN-ZIAGYGMSSA-N	313.357	1.596	50	20	DDGD	
O=C(NN=C1CCN(CCC(F)(F)F)CC1)c1ncccn1	841664231	LEOPZHULSLDVGN-UHFFFAOYSA-N	315.299	1.611	50	20	DDGD	
COCC1(CC(=O)NNC(=O)c2cc(Cl)ccc2O)CC1	844127305	CBMKEPMLKXDKJZ-UHFFFAOYSA-N	312.753	1.623	50	20	DDGD	
CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)NNC(=O)CC(C)C)C1	750296715	KMGPRJGSILAHGZ-IDFMNXDXSA-N	317.455	1.443	50	20	DDGD	
COC[C@@H]1COCCN1C(=O)NC[C@@]1(C)C[C@@H]1Br	923373623	NQBDTQWUJLERGE-JFGNBEQYSA-N	321.215	1.217	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc2c(c1)C[C@H](C)O2	854952024	GLKFIZWGNDYRJA-VIFPVBQESA-N	300.318	1.566	50	20	DDGD	
COc1ccc(C)cc1C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	853388644	PMFFDAYEXQWFKD-ZBFHGGJFSA-N	317.389	1.317	50	20	DDGD	
Cc1onc(CO)c1C(=O)NC[C@]1(C)C[C@H]1Br	857732525	ASKLICCATNOCDE-KCJUWKMLSA-N	303.156	1.379	50	20	DDGD	
C#CC(=O)NNC(=O)COc1ccccc1Cc1ccccc1	753887903	RKOFWJYUNCIZAO-UHFFFAOYSA-N	308.337	1.437	50	20	DDGD	
CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)C(C)C)C1	750295926	FHDNNCFYLKRCCE-HZNYWTHISA-N	303.428	1.053	50	20	DDGD	
Cc1ccc(Oc2ccc(NC(=O)NNC(=O)CO)cn2)cc1	755920209	WTTYKQFLDDZEKQ-UHFFFAOYSA-N	316.317	1.327	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1ccc(-n2ccnc2)c(F)c1	920238763	KFPXAIRXJLEAJP-UHFFFAOYSA-N	319.340	1.498	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CN3CCCN2CC3)ccc1Cl	928340707	AVMGRSYSPYQNJK-CQSZACIVSA-N	308.813	1.481	50	20	DDGD	
CC(C)(O)[C@H](Oc1ccccc1)C(=O)NNC(=O)CC1CC1	854666205	PTZYAQSOAPARAU-CQSZACIVSA-N	306.362	1.152	50	20	DDGD	
N#Cc1ccc(Br)c(NNC(=O)[C@H]2CCCO2)c1	855616694	LMOYYYCWNPGKQZ-LLVKDONJSA-N	310.151	1.943	50	20	DDGD	
CCNC(=O)NN=C1CCS(=O)(=O)c2ccc(Cl)cc21	920825627	UUCOIEGBEVCWBT-UHFFFAOYSA-N	315.782	1.541	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)N[C@H]1C=CCC1	851915962	WGMOSTXIGVRQCA-NSHDSACASA-N	305.334	1.123	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@H]1CC12CCC2	759689721	PBEQRLCYOITCKO-GFCCVEGCSA-N	318.373	1.802	50	20	DDGD	
C[C@]1(CNC(=O)N2CCO[C@H](CF)C2)C[C@@H]1Br	856893812	QDKKWCJGKJYCDA-WCABBAIRSA-N	309.179	1.540	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@H]1CC12CCC2	759687840	BWTZSBJXCUFXKI-LLVKDONJSA-N	304.346	1.412	50	20	DDGD	
CC1(C)C[C@@H](C(=O)NNC(=O)c2cc[nH]n2)c2ccccc2O1	855354818	JMQOYDAAKYHALZ-LLVKDONJSA-N	314.345	1.516	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNc1ccc(Cl)cn1	856095533	OTZGMXJUANOOOW-NSHDSACASA-N	310.785	1.969	50	20	DDGD	
C[C@H](Sc1nncn1C)C(=O)NNc1ccnc(Cl)c1	855468556	AVDAGAXKCYAPRY-ZETCQYMHSA-N	312.786	1.487	50	20	DDGD	
CC(C)c1ccccc1OCC(=O)NNC(=O)NCC1CC1	920859210	JLXHWZQWWFZGFC-UHFFFAOYSA-N	305.378	1.929	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cccnc1SC(F)(F)F	854926362	XOMMEUKWZWDJOZ-UHFFFAOYSA-N	324.353	1.774	50	20	DDGD	
C[C@@]1(CNC(=O)N2CCC(C(N)=O)CC2)C[C@@H]1Br	856900168	JUTQEKSPDBOUGA-CABZTGNLSA-N	318.215	1.067	50	20	DDGD	
CCOC1(C(=O)NN(C)C(=O)OC(C)(C)C)CCOCC1	854918533	AFMAYTBAKYKMMP-UHFFFAOYSA-N	302.371	1.470	50	20	DDGD	
CCC(=CC(=O)OCC(=O)NNC(=O)c1cccs1)CC	759466469	PIEJZHCWJYAPPD-UHFFFAOYSA-N	310.375	1.799	50	20	DDGD	
O=C(NNC(=O)c1ccsc1C(F)F)C(=O)N1CCCC1	931248554	WZYOIZYYJSTOHQ-UHFFFAOYSA-N	317.317	1.069	50	20	DDGD	
CCC(=NNC(=O)Cc1nc2ccccc2n1C)c1nccn1C	755534065	DKIOPNFNHBHFLJ-UHFFFAOYSA-N	324.388	1.780	50	20	DDGD	
C[C@]1(CN2C(=O)N[C@@H](c3ccccn3)C2=O)C[C@@H]1Br	857227086	FYMMJLPVMVMUBX-OUJBWJOFSA-N	324.178	1.848	50	20	DDGD	
CCOC(=O)C[C@H](O)COC(=O)/C(C#N)=C/c1ccc(O)cc1	859580058	IDBDOLJPXRASAC-GMMCIKNFSA-N	319.313	1.156	50	20	DDGD	
CSCCNC(=S)NNC(=O)NCCc1cccs1	752748177	UOVYCTVKFZIFJQ-UHFFFAOYSA-N	318.493	1.332	50	20	DDGD	
O=C(NNC(=O)c1ccccc1OC1CCC1)c1cc[nH]n1	855358612	PQZMFGNOAXRDRY-UHFFFAOYSA-N	300.318	1.416	50	20	DDGD	
CO[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2F)C1(C)C	753430595	PGKPEJLNMKOCLT-NWDGAFQWSA-N	309.341	1.583	50	20	DDGD	
Cc1cc(C)n(CCCC(=O)NNC(=O)c2ccc(C)o2)n1	934353808	KPECHYYDHCVXGP-UHFFFAOYSA-N	304.350	1.643	50	20	DDGD	
COCc1nc(C)c(C(=O)NNc2ccc(Cl)nn2)s1	760153836	HFNMJOJKSLXOQX-UHFFFAOYSA-N	313.770	1.798	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)CNc2ccccc2)CCC1=O	763496494	HKPZYNNXJRNZHL-RYUDHWBXSA-N	303.362	1.251	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccnn1CC1CCC1	868893966	LVYHRBASEXOMKV-UHFFFAOYSA-N	302.338	1.239	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(SC)cc1	764085365	WUNHUXUITOGNHT-SECBINFHSA-N	309.391	1.541	50	20	DDGD	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NNC(=O)c1cn[nH]c1	862473141	GCFYPUMXCQMXRR-KWCYVHTRSA-N	322.409	1.648	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNC(=O)CNc1cccc(OC)c1	863855205	RFYGKNNCTPSVTR-AWEZNQCLSA-N	323.393	1.460	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1cnc2[nH]cnc2c1	765193904	CQAUGWZHSBCOGR-UHFFFAOYSA-N	323.238	1.524	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)CCCCO)o1	865003205	MQFJXTRCVQMPFI-UHFFFAOYSA-N	311.382	1.045	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O	867166870	OZHGPKJVKPJUQU-AXFHLTTASA-N	322.858	1.167	50	20	DDGD	
CSSCCNC(=O)N1C[C@H]2[C@H]3CC[C@@H](CN3)[C@H]2C1	861632667	NFCBEMUYMHRRNI-IRCOFANPSA-N	301.481	1.637	50	20	DDGD	
Cc1ccccc1[C@@H](C)C(=O)NNC(=O)N1CCN(C)CC1	935860881	SAMRBLFRRGUQDP-CYBMUJFWSA-N	304.394	1.087	50	20	DDGD	
COc1nccnc1NNC(=O)c1cnc(-c2ccccc2)[nH]1	764470314	XQUOEXCXTRYGOT-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
O=C(CNC(=O)Nc1ccccc1)NN=c1cc[nH]cc1Cl	768444155	OLNHRGCDVGOQIS-UHFFFAOYSA-N	319.752	1.422	50	20	DDGD	
O=C(NNC(=O)C1(Cc2cccc(Cl)c2)CC1)c1cn[nH]c1	862469562	OPFUCZKHFXNVJP-UHFFFAOYSA-N	318.764	1.847	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@H]1CCc2n[nH]cc2C1	765846821	ZEMLXOQXGOJGML-JTQLQIEISA-N	317.324	1.050	50	20	DDGD	
Cc1cc(C)cc(C=NNC(=O)CNC(=O)c2cccnc2)c1	763200560	ZEZWTOCSCAGDTK-UHFFFAOYSA-N	310.357	1.579	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NOCC(F)(F)F	765797249	NHIYAOKMHZIUDE-UHFFFAOYSA-N	321.255	1.028	50	20	DDGD	
C[C@@H]1N(C(=O)NNC(=O)c2cccc(C#N)c2)CCOC1(C)C	763607145	AZEGCMMPQCABOA-NSHDSACASA-N	316.361	1.412	50	20	DDGD	
CCN1CCOC[C@H]1C(=O)NNc1cccc(F)c1Cl	862507064	UBTPJTIRWAIVLC-NSHDSACASA-N	301.749	1.643	50	20	DDGD	
C[C@H](NNC(=O)[C@@H](C)n1nnnc1C(C)(C)C)C(F)(F)F	862316129	LOYWUKWNSQYJBN-RQJHMYQMSA-N	308.308	1.103	50	20	DDGD	
OB(O)c1ccccc1CNc1ccc(N2CCCCC2)cc1	863890997	WGQOVGJBMJYECA-UHFFFAOYSA-N	310.206	1.969	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2c3c(nn2C)CCCC3)n1	765755593	WRCROVQAKNXMGR-UHFFFAOYSA-N	316.365	1.163	50	20	DDGD	
C[C@]1(CNC(=O)c2csc(CCN)n2)C[C@H]1Br	1118753705	ADWLFSLISLVGLP-LDYMZIIASA-N	318.240	1.548	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)CC(C)(C)CCl)CC[C@@H]1C(=O)O	864499937	IGGOCDARRRUNEQ-UWVGGRQHSA-N	311.831	1.624	50	20	DDGD	
COC(=O)COCCNC(=O)[C@H](Br)C(C)(C)C	862953349	MUYMZPVMDJZDMX-VIFPVBQESA-N	310.188	1.102	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc(N2CCCC2)nc1)C(F)(F)F	862312216	HDWHZGDCMRZYIU-SECBINFHSA-N	302.300	1.867	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccc(OC)c1[N+](=O)[O-]	767724512	WNXXHSUZGJGZMH-UHFFFAOYSA-N	310.310	1.348	50	20	DDGD	
CC1CC(C#N)(C(=O)NNC(=O)c2nc3ccccc3s2)C1	874913798	TUYYMYWMXGQKIG-UHFFFAOYSA-N	314.370	1.997	50	20	DDGD	
COCCOCC(=O)NN=C1CC[C@H]2CNc3cccc1c32	872400554	VHUUOORDFWAWBV-NSHDSACASA-N	303.362	1.473	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)N1CCOCC1)c1ccc(F)c(F)c1	1116127366	XPCPZIMMKGMCMG-SECBINFHSA-N	313.304	1.141	50	20	DDGD	
Cn1ccc(NNC(=O)[C@@H]2CCN(C(=O)c3ccccc3)C2)n1	1118972190	XVVHWCZJAIVZHN-CYBMUJFWSA-N	313.361	1.026	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1cn(C)nc1-c1ccccc1	771559630	IQSRWFVTWAMLMP-UHFFFAOYSA-N	308.345	1.883	50	20	DDGD	
O=C(NNc1ccc(F)cn1)c1cccnc1N1CCCC1	874651929	YFBOALYFNFTXCI-UHFFFAOYSA-N	301.325	1.973	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc2cc(OC)ccc2c1	779824104	YIRCZLMVBKQABR-UHFFFAOYSA-N	315.329	1.655	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](O)Cc1ccccc1Cl	776226460	GKPABHKPGAGKSW-LLVKDONJSA-N	322.752	1.185	50	20	DDGD	
C[C@@H](C(=O)NCCCSC#N)n1nnc(-c2ccccc2)n1	773586056	QQGQCCSRHMQZEZ-NSHDSACASA-N	316.390	1.622	50	20	DDGD	
CCC(C)(C)NC(=S)NNC(=O)c1ccc2c(c1)OCCO2	774155264	GOZDVIHLMKJNBR-UHFFFAOYSA-N	323.418	1.755	50	20	DDGD	
CCOc1nc(C(=O)NNc2nc(O)c3ccccc3n2)co1	776167785	JENSAMIUZNZVEF-UHFFFAOYSA-N	315.289	1.479	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cccc([S@](C)=O)c1	770221936	YGGKYFCPOVFXBW-QFIPXVFZSA-N	316.382	1.807	50	20	DDGD	
C#CCNC(=S)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	773189621	APDVDIHUTMJIGQ-VIFPVBQESA-N	311.794	1.236	50	20	DDGD	
COc1cc(C=NNC(=O)Cc2ccncc2)ccc1[N+](=O)[O-]	770605709	SVXGRWLNSMKCEU-UHFFFAOYSA-N	314.301	1.691	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1c(O)ccc2ccccc12	779823838	UBMKPCMAZBHBEX-UHFFFAOYSA-N	301.302	1.352	50	20	DDGD	
C=CCOCC(=O)NNC(=S)Nc1ccc(OC(C)C)cc1	874949277	JLUORXRDHVDUQO-UHFFFAOYSA-N	323.418	1.994	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NN(C)C(=O)OC(C)(C)C	880277173	RUKXCXRJGMPAEP-SKDRFNHKSA-N	308.382	1.974	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2ccccc2C1)C1CCOCC1	883071502	CLDZFQMOGREFTK-OAHLLOKOSA-N	302.374	1.366	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(C)c(C(=O)OC)c1	887153542	ZDRPLWCHUJHKRP-UHFFFAOYSA-N	302.330	1.346	50	20	DDGD	
CC(C)(C)C[C@H]1CCN(C(=O)NNC(=O)c2cccnn2)C1	883852655	SEDJRDPODGOAAL-LLVKDONJSA-N	305.382	1.589	50	20	DDGD	
Cn1ccnc1[C@H]1C[C@H](NS(=O)(=O)CCCCl)CCO1	882245767	MKDNIOPDYSDTOO-GHMZBOCLSA-N	321.830	1.189	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccnn2C(C)C)cc1O	882049531	XBRBQTVBLPGAPR-UHFFFAOYSA-N	302.334	1.553	50	20	DDGD	
O=S(=O)(CCCCCl)N(CCO)Cc1ccccc1	163415753	ZNVXXYXMKXLWRF-UHFFFAOYSA-N	305.827	1.830	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2cccc(C#N)c2)n1	784853140	YTSRGWCTWAXZBH-UHFFFAOYSA-N	311.301	1.044	50	20	DDGD	
COCc1ncsc1C(=O)NNc1ccc([N+](=O)[O-])cc1	786410314	FUYMBGLNEWPQKC-UHFFFAOYSA-N	308.319	1.955	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ncccc1OCC(F)(F)F	780709367	QBPDKTUWYBRTGY-UHFFFAOYSA-N	320.271	1.329	50	20	DDGD	
C[C@]1(CNC(=O)NC2CC3(CC(N)C3)C2)C[C@H]1Br	1120665069	OCRJKWGGCBMGKN-ZMUYEJRCSA-N	316.243	1.729	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCCN1C(=O)c2ccccc2C1=O	786676370	QYWGRXHHLFDKOT-XFXZXTDPSA-N	310.309	1.686	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2CCCCS2)c1	783030443	AEGMOEUXWCFSMU-ZDUSSCGKSA-N	324.402	1.751	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cc(Cl)cc2c1OCC2	782900654	OGLZMWKMWCQCRE-UHFFFAOYSA-N	309.753	1.250	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1cc(Cl)c2c(c1)OCCO2	780760878	HVESYXHVFDFWNG-UHFFFAOYSA-N	305.721	1.685	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C(C)c1cc(C)nn1C	788950484	BRBNHZUXOXFVJQ-UHFFFAOYSA-N	315.377	1.689	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1C	1121019294	ULDCMMOTSKNHGF-UHFFFAOYSA-N	321.764	1.538	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCC(=NNC(=O)NC2CCCCC2)C1	788414045	GNJOCZCMKCWXTK-CYBMUJFWSA-N	315.439	1.962	50	20	DDGD	
Cc1cc(O)cc(=O)n1CCC(=O)NNc1ccc(F)cc1F	783679987	VHPHNXRGOIIXJI-UHFFFAOYSA-N	323.299	1.674	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C(=O)Nc2ccccc2)c1	781034272	CMNGRIQIHQKLJA-UHFFFAOYSA-N	313.313	1.555	50	20	DDGD	
Cc1cnc2c(C(=O)NC[C@@]3(C)C[C@H]3Br)cnn2c1	899041335	HWSFXFBBTUNVGM-ZWNOBZJWSA-N	323.194	1.941	50	20	DDGD	
N#Cc1ccc(F)c(CNS(=O)(=O)CBr)c1	782453867	JSTFGWAXADXERX-UHFFFAOYSA-N	307.144	1.469	50	20	DDGD	
C#CCCCCCC(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1	780324605	RMGXGKJWYXNPHM-GJZGRUSLSA-N	323.437	1.217	50	20	DDGD	
COc1cc(C(C)=NNC(=O)COc2ccc(C#N)cc2)ccn1	782135021	HPRNXJKMJKGWBT-UHFFFAOYSA-N	324.340	1.881	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cc([C@@H]2CCCN2C)[nH]n1	897550465	KQCAGACLSIXOKU-ZDUSSCGKSA-N	300.366	1.637	50	20	DDGD	
CN1CCC[C@H]1C(=O)NNC(=O)c1cc2ccccc2cc1O	895524857	RRZBGHAEJJUSPE-AWEZNQCLSA-N	313.357	1.401	50	20	DDGD	
O=C(O)Cn1cc(C=NNC(=O)c2ccncc2)c2ccccc21	799865677	KFEXGGMEVZHVHB-UHFFFAOYSA-N	322.324	1.885	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N2CCC(F)(F)CC2)cc1	792871398	LBVYZLNWRWRFLI-UHFFFAOYSA-N	308.288	1.644	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCCn2ccnc2C)n1	794079843	FUVJHXZLAWNFIK-UHFFFAOYSA-N	301.350	1.136	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ncsc2C(F)(F)F)n[nH]1	792285254	ZRIMPHDLGAGZAA-UHFFFAOYSA-N	319.268	1.268	50	20	DDGD	
CC1=C(C(=O)NNC(=O)COc2cccc(C)c2)SCCO1	798150382	MSBGXRREASEMSX-UHFFFAOYSA-N	322.386	1.516	50	20	DDGD	
COC(=O)C(=O)NN=C1CN(Cc2ccccc2)CC[C@@H]1C	1319955370	QMDFUXAKIGWCHZ-LBPRGKRZSA-N	303.362	1.174	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1nc2c(s1)C[C@H](C)CC2	1324258901	STQVBJOVZISPLC-MRVPVSSYSA-N	310.379	1.074	50	20	DDGD	
CN(C)c1cc(C(=O)NNc2ccc(C(C)(C)C)nn2)ccn1	1328714492	LUVJNLUCTVJGDS-UHFFFAOYSA-N	314.393	1.992	50	20	DDGD	
O=C(Cc1cccnc1)NNc1cncc(Br)c1	1320246059	JROBEYZOQRXGOD-UHFFFAOYSA-N	307.151	1.925	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1[N+](=O)[O-])[C@]1(F)CCOC1	1325279163	QFCRIKSZGPJXPI-NSHDSACASA-N	303.677	1.820	50	20	DDGD	
C[C@@H](NC(=O)CCl)c1ccc(OCC(=O)NC2CC2)cc1	1320466704	NGTVOWHVMSPBKL-SNVBAGLBSA-N	310.781	1.760	50	20	DDGD	
CC(C)CN(CC(=O)NN(C)[C@H](C)CO)C(=O)OC(C)(C)C	1329806021	GVWGLUPXUOTGLP-GFCCVEGCSA-N	317.430	1.223	50	20	DDGD	
Cc1ccc([C@H](C)CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	1325976696	OKXTVTPXKWURMM-UMVBOHGHSA-N	319.405	1.854	50	20	DDGD	
C[C@]1(c2ccccc2)C[C@@H]1NC(=O)NNC(=O)C1CCNCC1	1326123438	OHPGPRMTVMCBBC-WMLDXEAASA-N	316.405	1.047	50	20	DDGD	
CCN(CC)c1ncc(C=NNC(=O)c2cccnn2)s1	1333656210	AOGFCXFULZDUOU-UHFFFAOYSA-N	304.379	1.543	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1cc2cccc(OC)c2o1	1336339765	JOYSTOPFUWNLKT-UHFFFAOYSA-N	307.306	1.854	50	20	DDGD	
Cc1ccc(C(F)(F)F)c(NC(=O)NNC(=O)CCO)c1	1333888511	QJLSNCWNHWCRNP-UHFFFAOYSA-N	305.256	1.549	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)C2CCOCC2)[C@@H](n2cncn2)C1	1331994657	PEMCHSZXAHLKOF-FZMZJTMJSA-N	305.382	1.538	50	20	DDGD	
COC(=O)C1CCC(=NNC(=O)CCN2CCC(C)CC2)CC1	1339005592	AKGWMOHSVUVKQW-UHFFFAOYSA-N	323.437	1.944	50	20	DDGD	
O=C(NNC(=O)N1CC[C@@H]2CCCC[C@H]2C1)c1ncccn1	1261373339	ASUINJXXMYDELD-RYUDHWBXSA-N	303.366	1.343	50	20	DDGD	
Cc1cc(C)c(NNC(=O)C(=O)Nc2cncnc2C)c(C)c1	1354236129	JZYNZPPZAIJSTL-UHFFFAOYSA-N	313.361	1.792	50	20	DDGD	
CC(=O)NC1CCC(C(=O)NNc2ncc(Cl)cn2)CC1	1352452118	KMJWATMLAITPJY-UHFFFAOYSA-N	311.773	1.268	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)cc1	1605301481	MASLXVKAWZLWGX-NEPJUHHUSA-N	320.345	1.022	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCC1(C(=O)O)CC1)c1ccccc1	1603237700	BNIQVNAHZHAOER-UHFFFAOYSA-N	319.361	1.159	50	20	DDGD	
CCN1CCCC[C@H]1CNC(=O)NNc1cccc(C(=O)O)c1	1605478466	DIVGYIIKIRCFMW-AWEZNQCLSA-N	320.393	1.885	50	20	DDGD	
CCc1cnc(O)c(C(=O)NNc2cccc(C(=O)O)c2F)c1	1605784404	CTZULHVQCIJOAY-UHFFFAOYSA-N	319.292	1.944	50	20	DDGD	
CCOc1nccc(C)c1C(=O)NNc1ccc(C(=O)O)cn1	1605721855	UPTZDVGNSPKATI-UHFFFAOYSA-N	316.317	1.639	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ccc(C(=O)O)s2)c1Cl	1608274138	QGYFJVIZFAPQNW-UHFFFAOYSA-N	313.726	1.229	50	20	DDGD	
C/C(=C/c1cccnc1)C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1602906533	NIYVJPCLIVIYOG-YFHOEESVSA-N	322.332	1.203	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@]23C[C@H]2COC32CCC2)nc1	1602383252	AEAFKUJMTVVFFI-BONVTDFDSA-N	303.318	1.182	50	20	DDGD	
Cc1c(NNC(=O)C[C@@H]2C=CS(=O)(=O)C2)cccc1C(=O)O	1607553631	XNNYJCPICBVVQM-JTQLQIEISA-N	324.358	1.085	50	20	DDGD	
Cc1ccc(NNC(=O)CCCn2cccn2)cc1C(=O)O	1607809732	AZGUTMBNCWHVIU-UHFFFAOYSA-N	302.334	1.813	50	20	DDGD	
O=C(CNC(=O)c1ccsc1)NNc1cccc(C(=O)O)c1	1601323096	OBQJZQVYNQWKJL-UHFFFAOYSA-N	319.342	1.319	50	20	DDGD	
O=C(Cc1ccccc1O)NNc1ccc(C(=O)O)cc1F	1601370236	VUISSOHVGXHVAH-UHFFFAOYSA-N	304.277	1.915	50	20	DDGD	
CC(C)c1nnc(CCC(=O)NNc2ncccc2C(=O)O)o1	1603110214	XOTNVGGVVXIZLK-UHFFFAOYSA-N	319.321	1.362	50	20	DDGD	
O=C(NNc1ncncc1F)Nc1ccc(F)c(C(=O)O)c1	1610699658	GWQYNANIVIZJAE-UHFFFAOYSA-N	309.232	1.602	50	20	DDGD	
O=C(NN=C1CCCc2cccnc21)[C@H]1CN2CCC[C@@H]2CO1	1549321054	PPHNYURZMSIKSZ-UKRRQHHQSA-N	314.389	1.101	50	20	DDGD	
C[C@H]1CCN[C@@H](C(=O)NNC(=O)Cn2ccc3ccccc32)C1	1576743885	CJTRHRPDYJHUPY-GXTWGEPZSA-N	314.389	1.177	50	20	DDGD	
CC[C@@H](N)CNC(=O)NNc1cccc(F)c1Br	1577122518	UVXVKFYZYAKCBN-SSDOTTSWSA-N	319.178	1.952	50	20	DDGD	
C[C@@H](CN(C)S(=O)(=O)c1ccc(CCCl)cc1)C(=O)O	1589033373	DAYLBEWUYMFXLP-JTQLQIEISA-N	319.810	1.809	50	20	DDGD	
N[C@H](CC(=O)NNC(=S)Nc1cccc(Cl)c1)C(F)F	1580121344	SNWNCECGEAEHJA-MRVPVSSYSA-N	322.768	1.640	50	20	DDGD	
O=C(C(Cl)Cl)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843366747	NKLCEHSTLQBGLU-ZETCQYMHSA-N	317.575	1.528	50	20	DDGD	
O=C(c1cncs1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843363171	SIOXEMBVDOVAHI-SECBINFHSA-N	317.773	1.495	50	20	DDGD	
CC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1842653630	IQDXSLSCMHROBF-LLVKDONJSA-N	304.749	1.093	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)O	1590701931	UVWUOROIVMSRON-HBNTYKKESA-N	323.842	1.766	50	20	DDGD	
CN(C)c1cccnc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	1591035048	OZGLDCNUWVZVJE-UHFFFAOYSA-N	324.348	1.085	50	20	DDGD	
O=C(NNc1ccc(F)cn1)c1cc(-c2nn[nH]n2)ccc1F	1593164180	WMZQHCATEGSESL-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
CC(C)(CN1CCOCC1)C(=O)NNc1ccccc1C(=O)O	1590702498	DQADBDLCUPGGNT-UHFFFAOYSA-N	321.377	1.186	50	20	DDGD	
CC(=NNC(=O)c1ncccn1)c1cccc(OCC(=O)O)c1	1776081458	PIJGSBHEJCPKSW-UHFFFAOYSA-N	314.301	1.094	50	20	DDGD	
Cc1nsc(C=NNC(=O)Cc2ccccc2)c1C(=O)O	1776018943	NLGODMONBFZBEL-UHFFFAOYSA-N	303.343	1.843	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2cnc3ncccn23)cc1	1776100034	NFILQOBQJDVAKH-UHFFFAOYSA-N	309.285	1.191	50	20	DDGD	
O=C(NNC(=O)c1nc(Cl)ccc1Cl)c1cccnc1	15632970	XJPAMHVBCTXFIQ-UHFFFAOYSA-N	311.128	1.858	50	20	DDGD	
C#CCOCCC(=O)NNC(=O)Cc1cccc2ccccc12	161268578	WXWJYIXCEHHFRC-UHFFFAOYSA-N	310.353	1.570	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CS[C@H]2CCO[C@@H]2C)cc1	163431469	VXPHKBGLYGVIMU-YPMHNXCESA-N	308.403	1.667	50	20	DDGD	
O=C(NCC1(C2CC2)CC1)NNc1ccc(-n2cccn2)nn1	152290227	KFPFEMBKPHUXQZ-UHFFFAOYSA-N	313.365	1.479	50	20	DDGD	
COc1ccc(F)cc1C(=O)NNc1ncnc2nc[nH]c12	156335292	RVDYVTHDIYLVSL-UHFFFAOYSA-N	302.269	1.258	50	20	DDGD	
Cc1cccc([C@@H](C)CNC(=O)NNC(=O)c2cnn(C)c2)c1	155445041	PWMGWOQATMHIQP-LBPRGKRZSA-N	315.377	1.476	50	20	DDGD	
C[C@@H]1CCC[C@@H](CC(=O)NNC(=O)CNC(=O)c2ccco2)C1	156824477	GYQJFGQIIFGFIG-VXGBXAGGSA-N	321.377	1.373	50	20	DDGD	
COc1cc(C(=O)NNC(=O)Cc2ccncc2)ccc1F	159255526	ORGWGUWAHPOYHA-UHFFFAOYSA-N	303.293	1.233	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2COc3ccc(F)cc3C2)nc1	159491422	BPHIWAGXEBDLRU-NSHDSACASA-N	317.320	1.924	50	20	DDGD	
CC(=O)CSCC(=O)N(C)NC(=O)OCc1ccccc1	862288342	KTWUUINIASTLAP-UHFFFAOYSA-N	310.375	1.608	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@@](C)(O)C1CCC1	862288380	LPJVECMWELYVBZ-INIZCTEOSA-N	306.362	1.837	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCCCc1ccccc1	177295199	MJMCLEQKBIGTLK-UHFFFAOYSA-N	312.373	1.587	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1ccccc1C(F)(F)F	106417167	MUMNIYOHSPQTQB-UHFFFAOYSA-N	312.251	1.432	50	20	DDGD	
CN(CC(=O)NNC(=O)NCc1ccco1)Cc1ccccc1	58867352	JTDKNTARKYVRPQ-UHFFFAOYSA-N	316.361	1.242	50	20	DDGD	
Cc1cc(OC(=O)[C@@H]2CCCN(C(N)=O)C2)ccc1[N+](=O)[O-]	102868377	PVQMFDSGSVGKFL-SNVBAGLBSA-N	307.306	1.599	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1ccc([N+](=O)[O-])cc1	170700180	ZQXNJXQURNAEGA-UHFFFAOYSA-N	303.278	1.400	50	20	DDGD	
CCc1c(C(=O)NNC(=O)NC)cnn1-c1ccc(C)cc1	56377128	UCNMHHGRVGJHFU-UHFFFAOYSA-N	301.350	1.317	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1ccncc1)N1CCCCCC1	175799205	ZIHVLDINKCLABW-ZDUSSCGKSA-N	304.394	1.036	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Cc2cc(C)on2)cc1	173626536	TVHMXTOSASEWBR-UHFFFAOYSA-N	303.318	1.060	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cc(C(C)C)[nH]n2)cc1	102890652	OFYMDLMDSKASRN-UHFFFAOYSA-N	315.377	1.715	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCc1ccc2[nH]ccc2c1	179593522	KHWWXIIALKLEFW-UHFFFAOYSA-N	310.357	1.900	50	20	DDGD	
COc1cc(C)sc1C(=O)NNC(=O)NCc1ccco1	113874758	QGDCKYPYPOFULI-UHFFFAOYSA-N	309.347	1.802	50	20	DDGD	
O=C(NCc1ccccc1OC(F)F)NNc1cccnn1	172485108	HDYOYULDYNINQH-UHFFFAOYSA-N	309.276	1.904	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cccc(O)c1	24660570	BGRQJINZOQDDSA-SNVBAGLBSA-N	318.304	1.760	50	20	DDGD	
Cn1ccc(C(=O)NNc2ccc(OC(F)F)cc2)cc1=O	123072499	DSSAHGCJLOQWDC-UHFFFAOYSA-N	309.272	1.744	50	20	DDGD	
N#Cc1ccc(CC(=O)NNC(=O)CNc2ccccc2)cc1	170929874	MVUYHCVGHLDXGQ-UHFFFAOYSA-N	308.341	1.360	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)C)c2cnn(C(C)C)c2n1	26796782	TXMWGGFGUKTBHT-UHFFFAOYSA-N	303.366	1.738	50	20	DDGD	
Cc1ncc(/C=C/C(=O)NNC(=O)c2ccc(C#N)cc2)s1	112280228	NNDUXPLWWSSYDO-VOTSOKGWSA-N	312.354	1.798	50	20	DDGD	
O=C(Cc1cccc(O)c1)NNC(=O)c1cccc([N+](=O)[O-])c1	63535490	BBAIYRSPWZRFOL-UHFFFAOYSA-N	315.285	1.304	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)NCCCOC)cc1	65208581	PXYONIDRDSGGPE-UHFFFAOYSA-N	323.393	1.846	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2)[C@@H]1COc2ccccc2O1	302857824	QTPMVUHLXQLDDO-ASHKBJFXSA-N	316.357	1.410	50	20	DDGD	
CN1CCC(C(=O)NNc2nc(-c3ccccc3)no2)CC1	73517515	LVSGJOAQXCNMEO-UHFFFAOYSA-N	301.350	1.522	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)CCc1cccc(F)c1	79330692	FLFJKDZJMWWXLA-LLVKDONJSA-N	323.368	1.066	50	20	DDGD	
CCc1ccc(-c2nc(CC(=O)NN(C)C(N)=O)cs2)cc1	182639462	UOEFDPZBQSZSOS-UHFFFAOYSA-N	318.402	1.957	50	20	DDGD	
COc1ccc(C)cc1NC(=O)NNC(=O)Cc1cccnc1	182782620	XNGUBBHKUPHBGQ-UHFFFAOYSA-N	314.345	1.794	50	20	DDGD	
COCCC1(C(=O)NNC(=O)c2ccc(C)cc2O)CCC1	121835510	MNJLKCJWTUGKAF-UHFFFAOYSA-N	306.362	1.668	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1ccncc1F	78122872	UJXPCCPZCKJVAM-UHFFFAOYSA-N	303.293	1.199	50	20	DDGD	
Cn1cnn(CC(=O)NN(c2ccccc2)c2ccccc2)c1=O	180214975	CFLHKKIFVCKUHI-UHFFFAOYSA-N	323.356	1.451	50	20	DDGD	
CC[C@H]1C[C@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCO1	182204192	HBTXRGSDUNNAPI-YPMHNXCESA-N	321.333	1.561	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1cscn1	188180324	NVJFYRMRYUDGLK-UHFFFAOYSA-N	304.360	1.814	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(OCc2ccccc2)nc1	194608939	XCFVAMGVMUDHKZ-UHFFFAOYSA-N	314.345	1.577	50	20	DDGD	
CO[C@@H](C)CC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	195427993	RUWRCNXAWDRUFE-WCQYABFASA-N	308.378	1.643	50	20	DDGD	
COc1ccc(NNC(=O)C[C@H]2CCCOC2)c([N+](=O)[O-])c1	193587394	ONRSZSWJDOQAMJ-SNVBAGLBSA-N	309.322	1.863	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H]1CCCCN1C(=O)c1ccco1	130871254	FBDMKKGGUOYKBD-LLVKDONJSA-N	321.377	1.468	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)Cn1cnc([N+](=O)[O-])n1	132077847	IHFREXKUDPBQGV-UHFFFAOYSA-N	321.249	1.317	50	20	DDGD	
Cc1cccc(C(=O)O)c1NS(=O)(=O)CBr	381118340	HWWHYSQKLQWKDA-UHFFFAOYSA-N	308.153	1.787	50	20	DDGD	
C#CCCCC(=O)NNC(=S)Nc1ccc(OC)c(F)c1	192106672	JCLOUELXDBFCPV-UHFFFAOYSA-N	309.366	1.955	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)c1cnc(S)[nH]1	193103297	AIQDJAIQIWWTFR-UHFFFAOYSA-N	302.315	1.519	50	20	DDGD	
Cc1c(C(=O)NNC(=O)Cc2cccnc2)cnn1C(C)C	92412623	LWJUXZJHVZGSBA-UHFFFAOYSA-N	301.350	1.171	50	20	DDGD	
CN(C)c1ccc(C(=O)NNc2cc(C#N)cc(Cl)n2)cn1	93545728	WPSVGFHCJBYFQH-UHFFFAOYSA-N	316.752	1.825	50	20	DDGD	
CC(=NNC(=O)c1ccccc1O)c1ccc(-n2cnnn2)cc1	254824353	BLINPBWOSWKOEK-UHFFFAOYSA-N	322.328	1.522	50	20	DDGD	
CCCOc1ccc(S(=O)(=O)NNC(=O)C2CCC2)cc1	264800229	ULTOQTVXQJTYJE-UHFFFAOYSA-N	312.391	1.585	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)C3CCCCCC3)nc21	269337206	ZWTSVKRNNHTLPF-UHFFFAOYSA-N	304.354	1.482	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNc1ccc(OC(F)F)cc1	269616658	QORKNAXXAIDNAT-UHFFFAOYSA-N	317.292	1.866	50	20	DDGD	
O=C(NNS(=O)(=O)c1cc(F)c(F)cc1F)C1CCC1	264796255	UBBPQASGWSLBBO-UHFFFAOYSA-N	308.281	1.214	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCO[C@H](C)[C@H]1C	268826866	BFZATSABNDLRED-GHMZBOCLSA-N	307.350	1.159	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@H]2CSCCS2)o1	268183796	WPVDNRRDPAEGDO-VIFPVBQESA-N	315.420	1.381	50	20	DDGD	
O=C(C[C@H]1CSCCS1)NNC(=O)c1ccccc1F	269718013	TVUAMUHXYSNJQH-VIFPVBQESA-N	314.407	1.825	50	20	DDGD	
CCCCC(=O)N1CSC[C@@H]1C(=O)NNc1cccnn1	265510992	GJECUGOTEGGQKQ-SNVBAGLBSA-N	309.395	1.011	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2	366845061	DCULDWRURJEKEP-HBNTYKKESA-N	311.382	1.683	50	20	DDGD	
NC(=O)CCCC(=O)NNc1ccc(Br)cc1	279663862	CSXFKBAAIYYBMJ-UHFFFAOYSA-N	300.156	1.548	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CCO2	274205399	MJCHYRXXWRETBF-UHFFFAOYSA-N	321.333	1.116	50	20	DDGD	
CC(C)c1ccc(SCC(=O)NNC(=O)C(C)(C)O)cc1	278001685	QUEPJESYOXMVLQ-UHFFFAOYSA-N	310.419	1.820	50	20	DDGD	
COC1(C(=O)NNC(=O)CSc2ccccc2O)CCC1	272772256	HMOQVIOJVROMEL-UHFFFAOYSA-N	310.375	1.201	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@@]2(C)CCO[C@H]2C2CC2)nc1	363988937	YWPWFEOKQDWLRK-GOEBONIOSA-N	320.393	1.922	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)C23CCCN2CCC3)c1	278749207	VLHFTJPWUHCUJN-UHFFFAOYSA-N	316.405	1.142	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@@]2(C)CCO[C@@H]2C2CC2)n1	364158262	IIBFXXYSOZTRKS-GDBMZVCRSA-N	320.393	1.922	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1cc(F)ccc1F	272406515	YDWSCPCSBYOJBQ-MRVPVSSYSA-N	317.292	1.169	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1ccc(F)cc1C	272286433	ATYXWNYKYWUUBM-SNVBAGLBSA-N	313.329	1.338	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C[C@@H](C)SC)cn1	270419096	FXHUECYHYXAJKF-MRVPVSSYSA-N	314.436	1.549	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)CSc2ccccc2O)O1	270721353	RHGXJNSNTWILLY-JQWIXIFHSA-N	324.402	1.589	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCCCc2c[nH]nn2)c1	274483743	PJKDCNIVSPIIDE-UHFFFAOYSA-N	317.349	1.447	50	20	DDGD	
CCOC[C@@H](NC(=O)NNC(=O)c1ccccc1OC)C(C)C	276916258	OAOFNAUDGZGFEM-CYBMUJFWSA-N	323.393	1.700	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](C)[C@@H]1CCCCO1	271996050	CKIXXVUKWUCHTN-JSGCOSHPSA-N	305.378	1.897	50	20	DDGD	
Cc1ccc2oc(C(=O)NNC(=O)N3CCN(C)CC3)cc2c1	279135868	BPMOQXMDDNMLJB-UHFFFAOYSA-N	316.361	1.343	50	20	DDGD	
CCn1ncc2cc(C(=O)NNC(=O)C(C)(C)C)c(C)nc21	281665866	DIGFBSBUXARIGO-UHFFFAOYSA-N	303.366	1.567	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CCC[C@H]1[C@H]1CCCO1	283971347	LDDSJFXUOZWUKN-LSDHHAIUSA-N	317.389	1.993	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CCCc3nn(C)cc32)nc(C)n1	370251742	LMTVBYWPNBHKEZ-NSHDSACASA-N	300.366	1.390	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccccc1OCc1noc(C)n1	286381019	ODERWARTFFSQFA-UHFFFAOYSA-N	320.305	1.300	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)NC1CCC2(CCOCC2)CC1	370626693	LHUGERYKYCGVMU-UHFFFAOYSA-N	320.393	1.698	50	20	DDGD	
O=C(CSc1nncs1)NNc1nccnc1C1CCC1	286885286	FRUIKNZPOFMAQZ-UHFFFAOYSA-N	322.419	1.831	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@H](F)C(F)(F)F	289465439	WIIYELNTANWQCL-JTQLQIEISA-N	323.246	1.155	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccc1F	295283781	CWWXLIQAMOPMHG-XJKSGUPXSA-N	324.352	1.404	50	20	DDGD	
Cc1ncc2n1CC[C@H](C(=O)NNc1cnc3ccccc3n1)C2	290521420	UPGDCZPNIAEDNH-LBPRGKRZSA-N	322.372	1.840	50	20	DDGD	
COCCCOc1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1	292181437	QNOLCRSVIKUJPN-AWEZNQCLSA-N	322.361	1.042	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NCC2=CCCCC2)n1	297699168	RAQLRZVHMISVJP-UHFFFAOYSA-N	305.382	1.331	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2coc(C)n2)cc1	801599765	BXQOVTWSTMHHPM-UHFFFAOYSA-N	305.359	1.845	50	20	DDGD	
COC[C@H](NC(=O)NNc1ncc(F)cc1F)[C@H]1CCCO1	298200903	FOCYSSCXUFCREG-WDEREUQCSA-N	316.308	1.180	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)CC)ccc1F	806976238	JWPIPQJTNGQSLH-SECBINFHSA-N	309.341	1.520	50	20	DDGD	
C[C@@H](C(=O)NNc1cccnn1)[C@H]1OCCc2sccc21	293509633	PLXQSDSUWRYYRH-NOZJJQNGSA-N	304.375	1.931	50	20	DDGD	
COCCN(C)NC(=O)CNc1cc(Cl)ccc1OC	294394654	MZIGCFWPQLJNMY-UHFFFAOYSA-N	301.774	1.370	50	20	DDGD	
CCc1cc(NC(=O)NNC(=O)c2cnccn2)ccc1F	806561469	XSXCERBBOUCBNT-UHFFFAOYSA-N	303.297	1.645	50	20	DDGD	
COc1cncc(C(=O)NNc2ccc([N+](=O)[O-])cc2C)n1	805386747	JZSFQMUUBKMFJR-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
COC1(CNC(=O)NNc2ncc(F)cc2F)CCCC1	297493551	NLLRBTAQMIZZMC-UHFFFAOYSA-N	300.309	1.945	50	20	DDGD	
CC(C)(C(=O)NNc1ncccc1Cl)S(=O)(=O)C1CC1	298145695	OSCSPEKXKMIBHW-UHFFFAOYSA-N	317.798	1.534	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc(Cl)c(Cl)[nH]2)O1	293976116	SKNGSOSARKNVEM-XNCJUZBTSA-N	306.149	1.650	50	20	DDGD	
CC(C)NC(=O)c1ccc(C(=O)NNC(=O)CC2CC2)cc1	294058212	GEPMVJHNELIUII-UHFFFAOYSA-N	303.362	1.386	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)Nc2cc(F)cc(F)c2)CCO1	802001815	VKLCLEWAQPXRJS-DTWKUNHWSA-N	313.304	1.933	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@H](O)Cc1ccccc1Cl	804769257	ASHYITGVGAHDPT-LLVKDONJSA-N	309.728	1.921	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1)c1c[nH]nc1C	814767521	ZKBAAPCAVOIZQW-WOPDTQHZSA-N	321.425	1.304	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H]2CCC[C@H](OC)C2)c1O	814406686	HDKLNJACYQJFJK-MNOVXSKESA-N	322.361	1.367	50	20	DDGD	
Cn1cc(C(=O)NNc2ncncc2Cl)c(C2CCC2)n1	819929685	HXHJCTZSTGRRRX-UHFFFAOYSA-N	306.757	1.888	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@H](F)C(F)(F)F	811507498	DUBBYTUVEMTHAI-VIFPVBQESA-N	303.215	1.872	50	20	DDGD	
O=S1(=O)CC[C@@H](NCc2ccc(OCCCCl)cc2)C1	811453369	UNTXOHUDZIHNHX-CYBMUJFWSA-N	317.838	1.971	50	20	DDGD	
O=C(Cc1ccc2c(c1)OCCO2)NNc1ncncc1F	817082274	SAFMKKGLNUZCPY-UHFFFAOYSA-N	304.281	1.073	50	20	DDGD	
Cc1nnsc1C=NNC(=O)Cn1cnc2ccccc21	814215998	XHZJCFOECXUYDL-UHFFFAOYSA-N	300.347	1.347	50	20	DDGD	
CC(C)OCc1nc([C@H](C)NC(=O)NNc2cccnn2)no1	811973498	XSVBHWOFBLOVPM-VIFPVBQESA-N	321.341	1.172	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NC[C@H]2Cc3ccccc32)c1	728953920	ZFHXKDCXPCHIKB-OAHLLOKOSA-N	320.352	1.842	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])s2)c1	728828093	KATAKEVGRGRCLN-UHFFFAOYSA-N	316.298	1.603	50	20	DDGD	
COc1ccc(C)cc1CNC(=O)NNc1ncncc1F	814273458	LFAMYXFNADCUTH-UHFFFAOYSA-N	305.313	1.759	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NN=C1CCN(C(N)=O)CC1	812434018	XHMHBXWMIRTVJH-SNVBAGLBSA-N	322.340	1.240	50	20	DDGD	
C=CCOCC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	729298344	CFTICLNTYUOXLZ-UHFFFAOYSA-N	306.406	1.943	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCc1cc(Br)cs1	823959887	RSONNHBJESVCQD-MRVPVSSYSA-N	321.240	1.787	50	20	DDGD	
N#C/C(=C/c1ccc(-c2nn[nH]n2)cc1)C(=O)N=c1cc[nH]cc1	826379684	YRPSXEVCRKCQLB-LCYFTJDESA-N	317.312	1.229	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)N[C@@H]1C=CCC1	821091990	HZLLEAQZIZYYHJ-GFCCVEGCSA-N	319.361	1.513	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cccc(OCC(F)(F)F)c1	823947064	SDIIEWGIFLLAKH-SECBINFHSA-N	306.284	1.585	50	20	DDGD	
CCN(CCO)NC(=O)c1ccccc1Oc1cnn(C)c1	823884609	BIKYUVKBZZHBKW-UHFFFAOYSA-N	304.350	1.171	50	20	DDGD	
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN(C)[C@H](C)CO	823947261	VKFCYFVOCGZSDD-NEPJUHHUSA-N	317.430	1.270	50	20	DDGD	
C#CCNC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1ccc(OC)cc1	822629302	FBCBXLFKWWGFLP-HLVNSREUSA-N	312.325	1.283	50	20	DDGD	
O=C(CCn1ccnc1)NNC(=O)c1cccc(OC(F)F)c1	728543967	PSDVAHQIHGYJSF-UHFFFAOYSA-N	324.287	1.336	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NN=C1CCN2CCC[C@H]12	495207813	NSKPZFWIQSOZQX-GFCCVEGCSA-N	310.398	1.242	50	20	DDGD	
Cc1cc(Cl)c(C(=O)NN(C)[C@H](C)CO)cc1[N+](=O)[O-]	823917992	POQPMHHBZDMAFV-MRVPVSSYSA-N	301.730	1.514	50	20	DDGD	
O=C1C[C@H](C(F)(F)F)[C@@H](C(=O)NNc2ccccc2F)CN1	821148975	ZHRKKOHJUCUWRB-YUMQZZPRSA-N	319.258	1.583	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](CO)Cc1ccc(C)c(C)c1	491005957	CSSFRDKTBDXATR-SFKKXYGYSA-N	302.374	1.767	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1	495327275	XKNVRAUDLIDOSA-UHFFFAOYSA-N	319.239	1.421	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1cc2c(cc1OC)OCO2	490879448	RINGXJFNOYLCGC-SDQBBNPISA-N	318.329	1.484	50	20	DDGD	
Cc1cccc(CN2CCN(S(=O)(=O)CCl)CC2)c1	829748460	NUYRYEICLBYMLC-UHFFFAOYSA-N	302.827	1.639	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2cnc(CC(C)C)s2)n[nH]1	823369087	SWEYHWFNXAORTA-UHFFFAOYSA-N	321.406	1.377	50	20	DDGD	
CCCCNC(=O)NNC(=O)C[C@@H](C)NC(=O)C1CCCC1	727102679	HVEJIIRYXPNDBG-LLVKDONJSA-N	312.414	1.202	50	20	DDGD	
Cc1ccoc1CC(=O)NNC(=O)NCCc1cccs1	823809912	CRFKMGNFOXTJSL-UHFFFAOYSA-N	307.375	1.765	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@H](C)C(F)(F)F)cc1	823844863	BCCHJXOFQKCSFY-SSDOTTSWSA-N	320.271	1.982	50	20	DDGD	
CCCN1C(=O)C(=NNC(=O)c2cccn2C)c2ccccc21	725846975	RFPFNZGFTKUHMF-UHFFFAOYSA-N	310.357	1.916	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1ccc(C#N)cc1	494725192	GQDDFVXNYHIKPN-UHFFFAOYSA-N	302.334	1.533	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1cc(-c2nn[nH]n2)cs1	823280853	HFOMHXYQDKBQIW-UHFFFAOYSA-N	322.741	1.129	50	20	DDGD	
C[C@@H]1CN(C(=O)/C(C#N)=C/c2ccc(O)cc2)C[C@@H](C)S1=O	490977491	UACLOOBMTAFDPR-CDXFXEMCSA-N	318.398	1.667	50	20	DDGD	
CCCC[C@@H](CC)CNC(=S)NNC(=O)c1cccnn1	905535652	BPCSHNLODQHODG-LLVKDONJSA-N	309.439	1.802	50	20	DDGD	
N#CC1(CC(=O)NNC(=O)Cc2ccncc2)CCCCC1	829565706	NQZJKFFYNCAIHS-UHFFFAOYSA-N	300.362	1.636	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccc3ccccc3n2)CO1	827606914	OEMQCQKKTVMJRR-CMPLNLGQSA-N	314.345	1.356	50	20	DDGD	
COc1cc(C)c([C@@H](C)NCc2ccc(B(O)O)o2)cc1OC	585023546	MQFPLEGTJXNIFN-LLVKDONJSA-N	319.166	1.136	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNC(=O)OC(C)(C)C)ccc1F	490754516	QDQCUGFHBORESY-UHFFFAOYSA-N	311.313	1.954	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21)Nc1cc(F)cc(F)c1	908049154	AUQPWRNBVVBJPM-MVWJERBFSA-N	309.272	1.343	50	20	DDGD	
C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cccc(B(O)O)c1	584954795	LGHXIURFVVKGQW-ZBFHGGJFSA-N	323.201	1.460	50	20	DDGD	
CC(C)[C@H](NC(=O)O)C(=O)NN=c1sc2ccccc2n1C	736375243	MZBFWBZQUQUPAV-NSHDSACASA-N	322.390	1.464	50	20	DDGD	
CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccc(N)cc1	735449128	WAUYGLYGCGUBQZ-UHFFFAOYSA-N	321.344	1.603	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	908506124	ZGUFVLISHIWBGZ-SECBINFHSA-N	316.283	1.554	50	20	DDGD	
CC1(C)COC(=O)[C@H]1NC(=O)/C(C#N)=C/c1ccc(O)cc1	837637255	PIUIJSHQNBNYLQ-SVTZGKHISA-N	300.314	1.367	50	20	DDGD	
OB(O)c1ccc(CN[C@@H](c2ccccn2)C2CCCC2)cc1	585026438	HBVSDPYGPVFXIF-GOSISDBHSA-N	310.206	1.783	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2CCN3CCC[C@@H]3C2)C[C@@H]1Br	906239586	KUBYVWSTPBZACL-DCQANWLSSA-N	301.228	1.903	50	20	DDGD	
CO[C@H](C1CC1)[C@@H](C)NC(=O)NNC(=O)c1cccc(C#N)c1	836277044	UCDLFXKWNDMRCM-YGRLFVJLSA-N	316.361	1.316	50	20	DDGD	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](B(O)O)C1	585075538	SBIVCBCTESIRAG-VHSXEESVSA-N	324.167	1.151	50	20	DDGD	
O=S(=O)(CCl)NC1(Cc2ccccc2)CCOCC1	832620162	DFTVKBIONHHXCO-UHFFFAOYSA-N	303.811	1.894	50	20	DDGD	
Cc1noc(CCCNC(=O)[C@]2(C)C[C@@H]2Br)n1	906530933	NKFAMPXBYLDTFQ-GZMMTYOYSA-N	302.172	1.600	50	20	DDGD	
O=C(NCB(O)O)c1cc(-c2ccccc2)nc2ccccc12	585061551	VIOLYICRIOZZMZ-UHFFFAOYSA-N	306.130	1.644	50	20	DDGD	
Cc1cnc(O)n1-c1ccc(C(=O)NNc2cnccn2)cc1	734243847	BMRWXXICXCNTKF-UHFFFAOYSA-N	310.317	1.433	50	20	DDGD	
Cn1cccc1C(=O)NN=Cc1ccc(Br)cn1	733744758	PIAXNQVHVGLRPP-UHFFFAOYSA-N	307.151	1.947	50	20	DDGD	
C#CCCCC(=O)NN=Cc1cc(C(=O)OC)c2n1CCCC2	901326772	QDRSNPNIRANUEX-UHFFFAOYSA-N	315.373	1.865	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CN(C)C2CCC2)cc1	908051776	WSBIBINGPDDPAE-UHFFFAOYSA-N	306.366	1.332	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NNc2cccnn2)C1	832044545	PXBWIZDDZPJJPF-MGCOHNPYSA-N	307.354	1.223	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)c1cccc2ncccc12	837400101	FKOVNZWAYYVAJD-ZLKJLUDKSA-N	323.352	1.611	50	20	DDGD	
C[C@H](CCCc1cccnc1)NC(=O)NNc1ncccn1	838751737	YPLBCMMYXDFUDW-GFCCVEGCSA-N	300.366	1.909	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCCCN1CCCC1	731402113	QGYQVUFHTFYNNM-UHFFFAOYSA-N	322.384	1.185	50	20	DDGD	
CC(=O)N1CCC(NC(=O)[C@]2(C)C[C@H]2Br)CC1	905327694	QHVCQNGXNUTQDA-ZYHUDNBSSA-N	303.200	1.287	50	20	DDGD	
O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CC[C@H](B(O)O)C1	585071164	NTBROMSTFUNWEQ-ITKZLYELSA-N	313.084	1.794	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1ccc(C(=O)O)s1	739345147	MBNGLHGAYIRTDY-UHFFFAOYSA-N	322.317	1.589	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1cc(F)cc([N+](=O)[O-])c1	731453779	MWESASOAWMGZNJ-UHFFFAOYSA-N	319.248	1.514	50	20	DDGD	
COCCN(C)NC(=O)c1csc(-c2ccc(C)n2C)n1	837626431	KUMKELQKUXARLP-UHFFFAOYSA-N	308.407	1.680	50	20	DDGD	
CO[C@@H]1COC[C@@H]1NC(=O)NNc1ccccc1C(F)(F)F	838779317	XJAHJQJKUFPXFJ-WDEREUQCSA-N	319.283	1.745	50	20	DDGD	
CC(C)(CC(=O)O)CC(=O)NNc1nc(-c2ccncc2)no1	833455740	RRFDKVQWIHWYTH-UHFFFAOYSA-N	319.321	1.466	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNc1cnc2ccccc2n1	839741726	WTOBKIYDZYKUHD-JTQLQIEISA-N	301.350	1.221	50	20	DDGD	
COCCCNC(=O)NNC(=O)COC[C@@H](C)c1ccccc1	845299096	VCJZLDNVDSSFDS-CYBMUJFWSA-N	323.393	1.174	50	20	DDGD	
CC1(C)Cc2cc(C(=O)NNC(=O)[C@@H]3CCCCO3)ccc2O1	843602633	VBFJETKXFHZZOJ-AWEZNQCLSA-N	318.373	1.730	50	20	DDGD	
CNCCCNC(=O)NNc1ccc(F)cc1Br	841914723	JHUVUSUPNZBLEU-UHFFFAOYSA-N	319.178	1.824	50	20	DDGD	
COC(=O)c1csc(C(C)=NNC(=O)[C@@H]2CCO[C@@H]2C)c1	842557999	FLPMWKFPCFKSSX-MWLCHTKSSA-N	310.375	1.800	50	20	DDGD	
COC(=O)[C@@H](C)N(C)S(=O)(=O)c1ccc(CCl)cc1	915137673	ZMSHXWPMEYILGW-SECBINFHSA-N	305.783	1.607	50	20	DDGD	
COC[C@@H](Cc1ccccc1)NC(=O)NNc1ncccn1	746779080	GPMSIYYXPLGJIQ-CYBMUJFWSA-N	301.350	1.360	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccccc1OCc1ccncc1	914109815	KATWFALGJWNAFB-UHFFFAOYSA-N	311.341	1.832	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNc1cccc(F)c1F)C(=O)O	848589005	BSDVRPFVGXYVTL-MRVPVSSYSA-N	301.293	1.948	50	20	DDGD	
CCc1oc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)cc1C(=O)OC	842561496	RECJZFMJOSIMLL-MWLCHTKSSA-N	308.334	1.504	50	20	DDGD	
CC(C)C(=O)NNC(=O)Cc1ccc2c(c1)OC(F)(F)O2	845083886	CWBWIUBFFWIXJC-UHFFFAOYSA-N	300.261	1.354	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC1(c2ccccc2F)CCC1	845305763	JMQHRBNBLQBMAW-UHFFFAOYSA-N	323.368	1.614	50	20	DDGD	
CSCCNC(=O)NNC(=O)c1ccc(Cl)cc1F	747491266	SAIWITDKGVPYRK-UHFFFAOYSA-N	305.762	1.786	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1	748838426	SARKBBKYPBOUGZ-UHFFFAOYSA-N	313.361	1.766	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2ncccc2C(F)(F)F)CC1	740098112	UMADEUGBZATIPC-UHFFFAOYSA-N	302.256	1.070	50	20	DDGD	
Cc1nn(C(C)C)cc1C(=O)NNC(=O)Cc1cccnc1	846861231	KGGGQVWHNLEJGY-UHFFFAOYSA-N	301.350	1.171	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2ncnc3ccsc23)CCCNC1	841971263	VRRUYRPJIUUPEH-CQSZACIVSA-N	320.422	1.707	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H](C)CN2C[C@H](C)O[C@H](C)C2)no1	841614705	PDPPNSLVKPMFJO-WCFLWFBJSA-N	308.382	1.178	50	20	DDGD	
CCc1nc2ccc(C(=O)NNC(=O)N(C)C)cc2nc1CC	746005978	GNQREGHIOFRYDR-UHFFFAOYSA-N	315.377	1.671	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)[C@@H](C)CN1CCC(C)CC1	916362935	JUIPXYFGIMFGGQ-ZDUSSCGKSA-N	319.453	1.855	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@@H]1CCO[C@@H](c2ccccc2)O1	847390893	OEGPXUWEIBMRIL-DZGCQCFKSA-N	319.361	1.231	50	20	DDGD	
CCC/C=C\C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1	744775361	TZHCKIHIUVLWOF-PLNGDYQASA-N	315.329	1.219	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)Cc2nc3ccccc3n2C)c2ncnn21	841609874	GBGZRGXYXKWRIR-SNVBAGLBSA-N	323.360	1.193	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CCn1cccc1	749134821	KHIDWMUOJYLEOS-UHFFFAOYSA-N	301.346	1.277	50	20	DDGD	
CSC1(C(=O)NNc2ncc(Br)cn2)CCC1	848321926	JTBFWEDRNKBHKT-UHFFFAOYSA-N	317.212	1.968	50	20	DDGD	
O=C(NCc1cocn1)NNC(=O)c1cc2ccccc2o1	749569097	LZRZFSFBUPLFHH-UHFFFAOYSA-N	300.274	1.565	50	20	DDGD	
Nc1c(C(=O)NNC(=O)c2ccccc2F)cccc1[N+](=O)[O-]	749253823	QXPZUUVOKZFPSM-UHFFFAOYSA-N	318.264	1.391	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1c(Cl)nc2ccccn12	843973336	KQQFLXGFHDNHLT-IUCAKERBSA-N	322.752	1.174	50	20	DDGD	
N[C@H]1CCC[C@@H](NC(=O)NNC(=O)CCCc2ccccc2)C1	841981343	ZQXQFFVLRJATSE-LSDHHAIUSA-N	318.421	1.610	50	20	DDGD	
C/C=C/C=C/C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	744489382	HOTKSIADNDSTQM-PRKJJMSOSA-N	302.330	1.432	50	20	DDGD	
COC(=O)N(C)CCNC(=O)NNc1ccc(Cl)cc1F	923308826	OIJBNUUYNRCRCN-UHFFFAOYSA-N	318.736	1.803	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc(N(C)C)c2)CS1	840414739	BVFBOPIAXCUNTG-PWSUYJOCSA-N	322.434	1.591	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCOCc1ccccc1	843647269	SOABDGFQYNJJFS-OCCSQVGLSA-N	306.362	1.166	50	20	DDGD	
CCn1cncc1C=NNC(=O)[C@H](C)CN1CCCCCC1	841615436	YELCVUZPNWFYHQ-CQSZACIVSA-N	305.426	1.865	50	20	DDGD	
C[C@H]1CN(c2ccccc2C=NNC(=O)NCC2CC2)CCO1	920828357	FUNOQWFZWDKSHD-ZDUSSCGKSA-N	316.405	1.955	50	20	DDGD	
NNC(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F	841106035	DEKNBNLOOPVMRU-UHFFFAOYSA-N	304.329	1.806	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNc1ncnc(Cl)c1C(C)C	840547365	MMNILZDUWRWREE-MRVPVSSYSA-N	314.773	1.896	50	20	DDGD	
Cc1cc(NNC(=O)NC[C@H]2CCCNC2=O)ccc1Cl	922860963	ISFYONUVXMCZAG-SNVBAGLBSA-N	310.785	1.801	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNC(=S)Nc1cccc(C)c1C	920437170	RGKLPOZMJAYZKP-NSHDSACASA-N	322.434	1.536	50	20	DDGD	
COCCC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)C(C)C	756823705	MBSIKPMLUOHYGQ-UHFFFAOYSA-N	308.338	1.955	50	20	DDGD	
Cc1cn(C)nc1C(=O)NNc1ccc(C(F)(F)F)nn1	857477067	ZVWUTXKFBNXYIF-UHFFFAOYSA-N	300.244	1.294	50	20	DDGD	
CC(C)NC(=O)CCNC(=O)NC[C@@]1(C)C[C@@H]1Br	856824217	CUTRSMQBTYYFBG-JOYOIKCWSA-N	320.231	1.374	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@@H]2CC[C@H](O)C2)C[C@@H]1Br	856954727	KQNSOMQIOXIPPC-FYLLDIAZSA-N	305.216	1.620	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CC[C@H](C2CCC2)CC1	854291102	OYHSFYHVRSXPJX-JOCQHMNTSA-N	309.410	1.265	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@@H]1CCCS1	756936215	DPUYQBVLOWDKCF-JTQLQIEISA-N	309.391	1.535	50	20	DDGD	
N[C@H]1Cc2ccccc2N(S(=O)(=O)CBr)C1	850588441	GRVJEYCQXUPEOK-VIFPVBQESA-N	305.197	1.059	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C[C@@H](C)CC(C)C	854281604	YJWLANAVJSMKRM-LBPRGKRZSA-N	303.472	1.933	50	20	DDGD	
COc1ccnc(NNC(=O)c2cnc3n2CCCCC3)n1	856925177	MQJWIRFSAGFXEN-UHFFFAOYSA-N	302.338	1.165	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(C(C)=O)cc2)nc1	759734705	OFXRANXAKSQMHW-UHFFFAOYSA-N	313.313	1.828	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1cccc2c1OCO2	757996803	XKIJUXNYVQWWCP-UHFFFAOYSA-N	300.274	1.277	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNc2ncccc2[N+](=O)[O-])c1	920961024	UDQZXJLMPOVXFQ-UHFFFAOYSA-N	318.289	1.764	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CSc1ccc(Cl)cc1)N(C)C	750015260	KMOYZVMUHPZGIQ-VIFPVBQESA-N	315.826	1.530	50	20	DDGD	
CCN1CCCN(C(=O)NC[C@]2(C)C[C@@H]2Br)CC1	856953811	NCZMXFJTTNMTJD-AAEUAGOBSA-N	318.259	1.897	50	20	DDGD	
COc1cncc(C(=O)NC[C@@]2(C)C[C@H]2Br)n1	857390944	JEKGQBAZLQNUTK-LDYMZIIASA-N	300.156	1.389	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)C1C[C@@H]2CCC[C@H](C1)C2=O	855093550	VAWWEPYJKUBPNE-FUNVUKJBSA-N	323.462	1.677	50	20	DDGD	
CN1CCc2cc(C=NNC(=O)C(=O)Nc3ccccn3)ccc21	752733992	JWZQQNWRUFMYOZ-UHFFFAOYSA-N	323.356	1.163	50	20	DDGD	
O=C(Cc1ccc(F)cc1F)NNC(=O)OCC(F)(F)F	856022133	ZLZAZJDJKIYZHB-UHFFFAOYSA-N	312.194	1.827	50	20	DDGD	
COCCOc1ccc(C(=O)NNc2ccncn2)c(Cl)c1	857520555	CIFSUOCTNWILHY-UHFFFAOYSA-N	322.752	1.912	50	20	DDGD	
COCCCNC(=O)NN=Cc1c[nH]nc1-c1ccccc1F	755668184	IPSKMBRRQRYGBJ-UHFFFAOYSA-N	319.340	1.885	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)NCCc2cccs2)O1	756922542	SKKFNFMXAMQASS-JQWIXIFHSA-N	311.407	1.579	50	20	DDGD	
CCC[C@H](CNC(=O)NNC(=O)c1cccc(C#N)c1)OCC	858189194	MFFXBXPAHBMYML-CQSZACIVSA-N	318.377	1.707	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCNC(=O)[C@H]1c1cccc(C)c1	856207563	IRFQOYADJFDAQJ-QKXCFHHRSA-N	313.357	1.439	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)[C@H]1CCCCO1)C1CCCC1	852659676	UVNKSRIOSIQXOT-CHWSQXEVSA-N	313.398	1.091	50	20	DDGD	
C[C@H](C=NNC(=O)[C@H](C)NS(C)(=O)=O)CC1CCCCC1	758107708	MDVNXDAVUHXJSS-RYUDHWBXSA-N	317.455	1.633	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCCC(C)(C)F)c1	851916306	VHFNRDDZUPTDKE-UHFFFAOYSA-N	311.357	1.842	50	20	DDGD	
Cc1cccc([C@@H](C)CNC(=O)NNC(=O)c2cn[nH]c2)c1	858244693	FASCWFVEJPQMMG-NSHDSACASA-N	301.350	1.466	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1	755877019	AEPAXFRIONYNGE-UHFFFAOYSA-N	320.280	1.158	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@@H]1CC12CCC2	760120090	FDHRUHMBPMFVFF-NSHDSACASA-N	303.362	1.445	50	20	DDGD	
CCC(CC)(CC)C(=O)NNC(=O)CNC(=O)c1ccco1	760493933	VJLDPAWKJARMDZ-UHFFFAOYSA-N	309.366	1.373	50	20	DDGD	
C[C@](NC(=O)NNC(=O)c1ncccn1)(C1CC1)C(F)(F)F	933568398	HEXRZKVDDOCQJO-NSHDSACASA-N	317.271	1.152	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNCC(F)(F)C(F)(F)F)[C@H]1C	863103405	YJESNWZVCXAZGL-HSNKUXOKSA-N	304.259	1.864	50	20	DDGD	
C[C@@H](NNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(F)(F)F	862307894	SCZSQGGQQQPOPL-ZJUUUORDSA-N	315.295	1.611	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@H]1c1ccncc1	767570920	VJBPKGXRLMOEGK-ZDUSSCGKSA-N	304.394	1.412	50	20	DDGD	
O=C(COC(F)(F)F)NNc1ccc(C(F)(F)F)nn1	935080771	WRKNDMVVDLBUIC-UHFFFAOYSA-N	304.150	1.475	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1cn[nH]c1	862474245	HNGNPSPGXSLPRS-CBAPKCEASA-N	304.272	1.539	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)C1(C(=O)C2CC2)CC1	863101951	OFHSLPFMERUBFO-UHFFFAOYSA-N	300.227	1.564	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccc(-c2ccccc2)o1	869908009	VMTXSRUZDVHJKU-UHFFFAOYSA-N	318.329	1.371	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1[C@H]2CC[C@H]1CC(=O)NC2	768229454	UNGIWSOLMSTYMI-QXEWZRGKSA-N	317.227	1.676	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(OC(F)F)n(C)n2)cc1	768707010	PHTFTNUUXXBZDK-UHFFFAOYSA-N	312.276	1.787	50	20	DDGD	
CN(C)CCOCCNC(=O)NNc1cccc(F)c1Cl	875523984	OQJKAVVBWHMSGG-UHFFFAOYSA-N	318.780	1.683	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC1(C(F)(F)F)CCC1	879380890	AFKAEEUHLUTZLB-YUMQZZPRSA-N	309.288	1.227	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2ccc([N+](=O)[O-])o2)c1	769063770	SXRJNFJTNPLTKJ-UHFFFAOYSA-N	307.653	1.865	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1ncccn1	772999970	WJTLQJDBGJJNFD-SECBINFHSA-N	320.736	1.359	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@](C)(O)C2CCC2)c1	873776558	FLJCFTLSDAPFDA-OAHLLOKOSA-N	307.419	1.864	50	20	DDGD	
O=C(NNC(=O)c1cccc2nccn12)c1c[nH]c2ccccc12	770644161	NDZGHEPUBDLJCF-UHFFFAOYSA-N	319.324	1.890	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1ccc2c(c1)CCC2	1118183361	QNLLOYNKKPKVFB-XHDPSFHLSA-N	317.389	1.431	50	20	DDGD	
CCCC[C@H](CC)C(=O)NNc1nc(O)c2cnn(C)c2n1	770981650	ZPFKXGOYLSQVLU-VIFPVBQESA-N	306.370	1.728	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H](C)Oc1ccc(OC)cc1	875315914	CGIJEVSNVZKBQG-JTQLQIEISA-N	311.338	1.375	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccccc1OCCN(C)C	875181553	OEDHQXAFIYUFGS-UHFFFAOYSA-N	324.381	1.039	50	20	DDGD	
CCO[C@H]1COCC[C@H]1NC(=O)NNc1c(C)cccc1F	771352122	KHLYKYIVRKBLMT-OLZOCXBDSA-N	311.357	1.954	50	20	DDGD	
CC#CCCNC(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	774975855	DIABWJYMKZYGAY-LLVKDONJSA-N	323.780	1.851	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1CNC(=O)NNC(=O)c1ccccc1O	775455748	WAKRNFHLLVWNQJ-ZWNOBZJWSA-N	307.350	1.151	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(COC(C)(C)C)on1	770224127	WNTFUKAYLGAPEF-UHFFFAOYSA-N	312.370	1.734	50	20	DDGD	
CS(=O)(=O)Nc1cc(C(=O)NNc2ccccn2)ccc1F	777474477	IJUGMZIHRVLFHQ-UHFFFAOYSA-N	324.337	1.349	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccoc1Br	772146200	OEGGXKNNDBYVTJ-UHFFFAOYSA-N	304.144	1.786	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@@H](c1ccccc1C)C1CC1	776022968	DCOBMWLEMVZDHM-BLLLJJGKSA-N	303.406	1.982	50	20	DDGD	
COc1ncc(/C=C\C(=O)NNc2cc(Cl)ccn2)cn1	775896683	XTVXTSPVAGIGSA-IHWYPQMZSA-N	305.725	1.690	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccnc1)C1CCSCC1	777442846	JIJRYLPHJZQVHM-UHFFFAOYSA-N	320.418	1.447	50	20	DDGD	
CC(C)(C)c1nc(CC(=O)NNC(=O)c2cccnn2)cs1	882060679	UPSNZVZOIUTERY-UHFFFAOYSA-N	319.390	1.234	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](C)CC(=O)c1ccccc1F	887144357	KQPBCINNBYPEOB-LBPRGKRZSA-N	318.348	1.986	50	20	DDGD	
CC1(C)CN(S(=O)(=O)CCCCl)C[C@]2(CCOC2)O1	882147099	JKBSNOMUHKNSRF-LBPRGKRZSA-N	311.831	1.215	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CO1	784114379	WLLOGSYEXPYXRX-RYUDHWBXSA-N	314.345	1.058	50	20	DDGD	
O=S(=O)(CCCCl)N[C@H]1CCCC[C@@H]1N1CCOCC1	881991485	GVXWHFFGRVJOEJ-STQMWFEESA-N	324.874	1.178	50	20	DDGD	
CCC1(C(=O)NNC(C)=O)CCN(C(=O)c2ccccc2)CC1	781417637	JSTASRJRPRWLBJ-UHFFFAOYSA-N	317.389	1.486	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)c3cccn32)c1	788745586	IMUKNOMJRWUALY-AWEZNQCLSA-N	322.324	1.339	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2cccc3nn[nH]c23)o1	783582683	AHVNKFOFIWNJPO-UHFFFAOYSA-N	311.305	1.698	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)[C@H]1C[C@@]12CCOC2	788563844	TUQCDGJRSYXVFG-YMTOWFKASA-N	317.374	1.470	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2CCC(=O)c3cccn32)n1	789973629	KPMZRCSMPWBHQP-LLVKDONJSA-N	315.333	1.256	50	20	DDGD	
CS(=O)(=O)Cc1ccc(C(=O)NNc2ccnc(F)c2)cc1	781363645	WQERTEKFMRGJQH-UHFFFAOYSA-N	323.349	1.522	50	20	DDGD	
COc1ccc(NNC(=O)CCC(=O)c2ccccn2)nc1	781521579	CSWNMQSEZOVKPL-UHFFFAOYSA-N	300.318	1.591	50	20	DDGD	
CCn1ncc2cc(C(=O)NNC(=O)NCC3CC3)c(C)nc21	799410946	DWXANDHDJDYCPS-UHFFFAOYSA-N	316.365	1.114	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C1CCC[C@H](c2ccnn2C)C1	790297070	KKAPWZLQNZJTGQ-NSHDSACASA-N	300.366	1.895	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc2c(nc1O)CCCC2	899994894	DBTWTHBMNJNJHK-UHFFFAOYSA-N	322.434	1.573	50	20	DDGD	
O=C(NN=Cc1ccsc1Cl)[C@@H]1CCS(=O)(=O)C1	790155396	ISPRUGZPMCLEAM-MRVPVSSYSA-N	306.796	1.286	50	20	DDGD	
COCc1ncc(C(=O)NNC(=O)c2ccc(C#N)cc2)s1	795841387	CRFNHJVUSQOVHC-UHFFFAOYSA-N	316.342	1.236	50	20	DDGD	
COc1cccc(-c2nc(/C=C(\C#N)S(N)(=O)=O)cs2)c1	798231518	IOTFIMJXJQAZQZ-WUXMJOGZSA-N	321.383	1.972	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC2C[C@H](C)O[C@@H](C)C2)n1	793028887	SBOFKXPYCQTULN-QWRGUYRKSA-N	306.366	1.290	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)COc1ccc(C#N)cc1	792801091	LPWDAUMTZBKEOY-IAQYHMDHSA-N	319.361	1.146	50	20	DDGD	
CCC/C=C\C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	794717299	LTJJAWOPKCLBCX-SREVYHEPSA-N	311.407	1.736	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc3oc(C)nc3c2)n1	794077157	SSNMSVUBZFCYMQ-UHFFFAOYSA-N	310.313	1.914	50	20	DDGD	
O=C(NN=CCC1CCCCCC1)N[C@@H]1CCS(=O)(=O)C1	799109512	DVEKBPMXGJTAKQ-CYBMUJFWSA-N	315.439	1.819	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2[nH]c(C)cc2C)c1O	1319137344	FMSBNQZMRXVFCX-UHFFFAOYSA-N	303.318	1.421	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2c3ccccc3nn2C)c(O)c1	1320409358	QBSABFPDMIXQLX-UHFFFAOYSA-N	324.340	1.662	50	20	DDGD	
COc1cc(C)cc(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	1325975342	JLRRBYCDDDIENB-RISCZKNCSA-N	321.377	1.259	50	20	DDGD	
COCCn1cc(C=NNC(=O)CCN2CCC(C)CC2)cn1	1322142891	YHXUPVMUCBXNKE-UHFFFAOYSA-N	321.425	1.102	50	20	DDGD	
COc1ccnc(NNC(=O)CCOc2ccccc2C)n1	1321834563	OOPHMCHABLQIJS-UHFFFAOYSA-N	302.334	1.706	50	20	DDGD	
O=C(NN=Cc1ccccc1N1CCCC1)C(=O)NC1CC1	1321544459	QOGLDIVIBWPUJK-UHFFFAOYSA-N	300.362	1.016	50	20	DDGD	
Cc1nc(CNC(=O)NNc2nncc(N)c2Cl)cs1	1323992925	ZTVABHIUVYKXKJ-UHFFFAOYSA-N	313.774	1.303	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CCCC[C@H]1N(C)C	1251775567	UJSDCLHCYMTTNN-HUUCEWRRSA-N	318.421	1.812	50	20	DDGD	
CCc1ccc([C@H](COC)NC(=O)NN=c2cc[nH]c(C)c2)o1	1330711674	OLTRVIOWKXYSEB-AWEZNQCLSA-N	318.377	1.981	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNc2nncc(N)c2Cl)ccn1	1333509559	RVHWULJSVYZHHO-UHFFFAOYSA-N	322.756	1.651	50	20	DDGD	
CC(=NNC(=O)C1CCOCC1)c1cccc(OCC(=O)O)c1	1333215746	QFGMQGYEWAVLBT-UHFFFAOYSA-N	320.345	1.417	50	20	DDGD	
C[C@@]1(Cn2nnnc2N2CC[C@@H](F)C2)C[C@@H]1Br	1336186002	KXHWNKNCEANRND-WEDXCCLWSA-N	304.167	1.395	50	20	DDGD	
CC1(CNC(=O)C(=O)NC[C@]2(C)C[C@@H]2Br)CC1	1331080061	ZSSVMNPDEHRXJT-UFBFGSQYSA-N	303.200	1.192	50	20	DDGD	
CCN(C)C(=O)[C@H](C)NC(=O)NNc1ccc(C(C)(C)C)nn1	1343496599	NUTMEDBGHGXTFZ-JTQLQIEISA-N	322.413	1.267	50	20	DDGD	
CCN(CC(OC)OC)C(=O)c1c(C)nn(CCCl)c1C	1349177789	OUNBVPQLPAFRLB-UHFFFAOYSA-N	317.817	1.820	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@H]2CCc3nccn3C2)ccc1F	1602286873	RZARGSHGMZOFDH-VIFPVBQESA-N	318.308	1.426	50	20	DDGD	
Cc1ccc(NNC(=O)c2cc3n(n2)CCCC3)cc1C(=O)O	1607809173	ITOVETZWHKGEBN-UHFFFAOYSA-N	314.345	1.983	50	20	DDGD	
N#Cc1ccc(NNC(=O)C2(C(=O)O)CC2)c(C(F)(F)F)c1	1601107971	UZBFTJIOEWHINA-UHFFFAOYSA-N	313.235	1.885	50	20	DDGD	
Cc1cc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cnc1F	1605621337	DCSNCYSQPLAHJA-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1ccc(-n2ccnn2)cc1	1608482767	KZTJLCWDHAJHAX-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)c1cn(C2CC2)nn1	1601557156	UDDLPCUBUYVTFR-UHFFFAOYSA-N	305.269	1.207	50	20	DDGD	
COCc1nn(C)cc1C(=O)NNc1ccc(C(=O)O)cc1F	1606979978	GWQSUDCVAIPMAS-UHFFFAOYSA-N	322.296	1.161	50	20	DDGD	
O=C(NN=Cc1ccc(-c2nn[nH]n2)c(F)c1)NC1CCCC1	1609557499	QXPFSHZMFWQJOG-UHFFFAOYSA-N	317.328	1.582	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C[C@H](N)Cc1ccccc1	1575140831	KDOKOURDGRMOKG-GFCCVEGCSA-N	308.451	1.240	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H](C)S)C1	1846366358	JUUWFOSBKFTOHP-WDEREUQCSA-N	318.870	1.916	50	20	DDGD	
CC(C)(CCl)C(=O)N1CCCC12CN(C(=O)C#CC1CC1)C2	1841225396	OANXOGSAKJCWDU-UHFFFAOYSA-N	322.836	1.868	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)c1ncc[nH]1	1582562088	ISSKTAXXNAFEER-UHFFFAOYSA-N	304.701	1.000	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cc(C)[nH]n2)C1	1844769380	CQVNWKZQDFGJDZ-LLVKDONJSA-N	324.812	1.553	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H](C)CN)C1	1842866634	IXADOPKOPJARKJ-NEPJUHHUSA-N	315.845	1.192	50	20	DDGD	
C[C@@H](NC(=O)[C@]1(c2ccccc2)C[C@H]1Br)C(=O)O	1594200106	SQHYRBYTDOYUPF-JQEORGNBSA-N	312.163	1.681	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNC(=O)Cc2ccsc2)c1	1594288476	RHGGFODXHLNBCM-UHFFFAOYSA-N	318.354	1.758	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)CCc1ocnc1C(=O)O	1599426973	RTUKUPKTQGYHPM-UHFFFAOYSA-N	323.280	1.596	50	20	DDGD	
O=C(O)C1=NO[C@H](C(=O)NNc2ccccc2C(F)(F)F)C1	1594889495	MKRQQJDPFMLBET-VIFPVBQESA-N	317.223	1.378	50	20	DDGD	
COc1cc(C(=O)NNc2cccc(C(=O)O)c2F)ccn1	1599355017	BMCARPSHFOSSGK-UHFFFAOYSA-N	305.265	1.684	50	20	DDGD	
COc1cncc(NC(=O)NNc2ncccc2C(=O)O)c1	1594155277	XJABWWRUWHJORW-UHFFFAOYSA-N	303.278	1.332	50	20	DDGD	
C[C@@H](CN)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(Cl)Cl)C2	1795962283	XSNAAUGUMFBJFC-QEYWKRMJSA-N	322.236	1.023	50	20	DDGD	
CCCCNC(=O)NNC(=O)C(C)(C)Oc1ccc(C#N)cc1	165074273	NQORUYMIUHSQOJ-UHFFFAOYSA-N	318.377	1.846	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)Cc2cccc(F)c2)[nH]n1	153237589	QIAHIASNUSYAOX-VIFPVBQESA-N	304.325	1.497	50	20	DDGD	
Cn1c(=O)n(CC(=O)NNc2cccc(F)c2)c2ccccc21	154079032	JUXIHBKKVPRVRU-UHFFFAOYSA-N	314.320	1.622	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1cc2c(F)cccc2[nH]1	156301074	YELREMDCCOKFFW-UHFFFAOYSA-N	311.280	1.730	50	20	DDGD	
CC[C@@H](CC(=O)NNc1nccc(N2CCOCC2)n1)C(C)C	155498356	JJDMVXBVJUORRY-ZDUSSCGKSA-N	321.425	1.829	50	20	DDGD	
CCC(CC)(CC)CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	154703910	XUFBJIGCKKNBRZ-ZDUSSCGKSA-N	319.471	1.584	50	20	DDGD	
C[C@H](CC(=O)NNc1nc2ccccc2c(=O)[nH]1)c1ccncc1	159594856	PMWXPQDELXJQFT-LLVKDONJSA-N	323.356	1.955	50	20	DDGD	
C[C@@H](O)[C@H]1CCN(S(=O)(=O)c2ccc(CCCl)cc2)C1	168257789	MGTXJQFTNWHMDG-YPMHNXCESA-N	317.838	1.859	50	20	DDGD	
CCCN(CCC)CCCC(=O)NNC(=O)c1ccncc1	108763160	VAOBLPWZSMMHRO-UHFFFAOYSA-N	306.410	1.745	50	20	DDGD	
C=CC(=O)NCc1ccc(C(=O)NNC(=O)C2CCCC2)cc1	57207745	KYYYEEJGQRBLHM-UHFFFAOYSA-N	315.373	1.440	50	20	DDGD	
CCCOCC(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	103523064	AQLJYTNLGAXWJV-UHFFFAOYSA-N	322.333	1.553	50	20	DDGD	
CCc1ccc(C(=O)NNc2nccc(OC)n2)cc1[N+](=O)[O-]	174079424	QVPGGAYVFLSOCG-UHFFFAOYSA-N	317.305	1.713	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1	103424234	ZGZQPHBMOWIABI-HUUCEWRRSA-N	313.332	1.714	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2CCC[C@H](N(C)C)C2)n1	176575371	XIPUISKBRYNSKP-STQMWFEESA-N	306.414	1.592	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)o1	175253042	AOMGVZFMRAYIKH-CYBMUJFWSA-N	316.313	1.497	50	20	DDGD	
C[C@H](Cc1ccccc1F)NC(=O)NNC(=O)[C@@H]1CCCO1	65487870	OVKWPFIDJOAVIB-MFKMUULPSA-N	309.341	1.266	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)[C@H]1CCCOC1	171295152	UNYIHYNTXIMWCT-INIZCTEOSA-N	312.369	1.956	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)[C@@H]2C[C@H]2C2CC2)nc2ccccc21	177611784	RIVYPNFJJRFXGZ-NWDGAFQWSA-N	312.373	1.309	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CC[C@H]1CCOC1	176873039	OHXPELPSGORQIA-LBPRGKRZSA-N	306.362	1.202	50	20	DDGD	
CCCCNC(=O)NNC(=O)COCCOc1ccccc1	64883148	WTSAORNFWKFJKW-UHFFFAOYSA-N	309.366	1.213	50	20	DDGD	
Cc1nc(C)c([C@@H](C)N(C)CC(=O)NNC(=O)C2CC2)s1	112981487	HVPKVVCWQVSGFJ-SECBINFHSA-N	310.423	1.310	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)N[C@H](C)C2CC2)cc([N+](=O)[O-])c1	175549312	WOUXTTLVLOUUME-SECBINFHSA-N	322.390	1.811	50	20	DDGD	
Cc1ccccc1[C@@H](O)CNC(=O)NNC(=O)c1ccccc1	112387725	WDYMEHPIDUBOLY-HNNXBMFYSA-N	313.357	1.673	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)COC(C)C)cc1	63663201	BHAVGADJRMOLRG-LBPRGKRZSA-N	324.377	1.425	50	20	DDGD	
CNC(=O)C1CCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)CC1	176997342	WWLZHUVRLXNPAY-GIDUJCDVSA-N	314.345	1.917	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(Cl)c(Cl)[nH]2)n1	123262363	GPYDSSMOLQPXOX-UHFFFAOYSA-N	302.121	1.877	50	20	DDGD	
COc1cccc(NNC(=O)CSCc2ccncc2)n1	180722737	ISIUUDWTKSACFB-UHFFFAOYSA-N	304.375	1.862	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccc(F)nc2)c(O)c1	183241685	JEBNWVJVPHSMEE-UHFFFAOYSA-N	304.281	1.701	50	20	DDGD	
Cc1ccccc1CC(=O)NNc1nc2ccccc2c(=O)n1C	70919932	LJJKONQIINGTEO-UHFFFAOYSA-N	322.368	1.928	50	20	DDGD	
C[C@H]1CCC[C@@H](C)N(CC(=O)NNC(=O)c2ccccc2)C1	182348307	YMPKOEYRCPPSQU-UONOGXRCSA-N	303.406	1.958	50	20	DDGD	
Cc1cc2c(cc1C)O[C@@H](C(=O)NNC(=O)NC1CCCC1)C2	79788385	HNAYWIZIVHQGOC-OAHLLOKOSA-N	317.389	1.880	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)Cc2ccncc2)cc1F	184069145	PXQNEQGXMWJQPX-UHFFFAOYSA-N	318.308	1.625	50	20	DDGD	
CCNC(=O)c1ccc(NC(=O)NNC(=O)c2ccc[nH]2)cc1	184090064	PSJXYUDYPZVJQI-UHFFFAOYSA-N	315.333	1.231	50	20	DDGD	
O=C(CCn1cncn1)NNC(=O)Cc1cccc2ccccc12	122044928	XEZHRUBOVRMYLN-UHFFFAOYSA-N	323.356	1.212	50	20	DDGD	
C[C@H](C1CC1)n1cc(NC(=O)NNC(=O)c2cccn2C)cn1	189805376	CLTVMXQWVXQBNK-SNVBAGLBSA-N	316.365	1.659	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C\c1cn(Cc2cccnc2)nn1	181421769	VMFWDJAPIDFNDA-NSIKDUERSA-N	310.361	1.401	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1cnn(CC(F)(F)F)c1	185668034	XBVYIOKXNOEFAJ-UHFFFAOYSA-N	316.243	1.240	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccc(C(F)(F)F)c(F)c1	189698400	UBMFSYQOGGETTC-UHFFFAOYSA-N	307.247	1.167	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NNC(=O)c1cccn1C	184672786	DOYWRHWMZCSLLF-TZMCWYRMSA-N	307.394	1.772	50	20	DDGD	
CC(C)Oc1cccc(C(=O)NNc2cc(Cl)nc(N)n2)n1	134113499	UXOJGBJHIGYDEF-UHFFFAOYSA-N	322.756	1.651	50	20	DDGD	
Cc1ccccc1OCC(=O)NNc1cc(Cl)nc(N)n1	133934568	YRADNWSMFAGARS-UHFFFAOYSA-N	307.741	1.543	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12	249519357	KERVCNDDLASEGY-VXUPGSCNSA-N	302.378	1.783	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccccn2)ccc1OC(C)=O	254311470	FNAOGSPJZUDISV-UHFFFAOYSA-N	313.313	1.779	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(CCCOC)Cc1ccncc1	269460095	GPGSTOHDSXMSSH-SQFISAMPSA-N	303.362	1.891	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H](C)C2CC2)c(OC)c1	264385657	MMAOBKMUVJFPLW-SECBINFHSA-N	307.350	1.446	50	20	DDGD	
Cc1cccc(C)c1OCC(=O)NNC(=O)[C@H]1CCCCO1	269330667	DDYYEPHFWJGBMP-CYBMUJFWSA-N	306.362	1.399	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C[C@@H]2CCCCO2)cc1	268068095	XZMCHWQDOFLTRJ-AWEZNQCLSA-N	321.377	1.214	50	20	DDGD	
CC(C)OCC(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1	269299947	JHELBVUUKQQIKL-UHFFFAOYSA-N	322.369	1.155	50	20	DDGD	
CCCCc1nnc(NC(=O)CN2CC=C(C#N)CC2)s1	272618607	ILUKHVULNCMPRV-UHFFFAOYSA-N	305.407	1.975	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNc2nccc(OC)n2)C12CCC2	369842162	KLYPLEQQMNSFAZ-MNOVXSKESA-N	321.381	1.459	50	20	DDGD	
COc1ccccc1C(=O)C(=O)NNC(=O)NC1CCCCC1	274197190	KUVZEGZSVHQSHF-UHFFFAOYSA-N	319.361	1.541	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCOC[C@@H]1[C@H]1CCCCC1=O	273684703	GJRVMJJNLSQDNZ-HVDISPMTSA-N	306.362	1.417	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C[C@@H](C)c2c(C)n[nH]c2C)n1	279769309	HBGCAOGOPVYKJR-SECBINFHSA-N	315.377	1.685	50	20	DDGD	
C[C@H]1CC(C(=O)NNC(=O)COc2ccccc2O)C[C@H](C)C1	272494618	HTFIOIPTABXKGG-VXGBXAGGSA-N	320.389	1.991	50	20	DDGD	
Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N1CC=C(C#N)CC1	273673407	DWWXDRBTPSXXRS-INIZCTEOSA-N	322.372	1.448	50	20	DDGD	
CS[C@H](C)C(=O)NNC(=O)CSc1ccccc1O	270688968	JLCGTLZRYLKIAO-MRVPVSSYSA-N	300.405	1.383	50	20	DDGD	
CC1(CCNC(=O)NNC(=O)COc2ccc(F)cc2)CC1	280389145	NDMLWXGNNFRFBM-UHFFFAOYSA-N	309.341	1.725	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1cccc2c1CNC2=O	287899158	YWYPUAALXUCWMW-UHFFFAOYSA-N	306.322	1.491	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNc1ccc(C(F)(F)F)nn1	289422136	JKGWGXVLDYEVHH-ZETCQYMHSA-N	320.271	1.528	50	20	DDGD	
CC(C)SCCNC(=O)NNC(=O)c1cccc(N(C)C)c1	287416498	QNGTXLBZYJZXNI-UHFFFAOYSA-N	324.450	1.838	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@@H]1[C@@H]1CCCO1	285180085	AMBMPQNHYILPRF-KGLIPLIRSA-N	318.377	1.008	50	20	DDGD	
C[C@@H]1C[C@@H](C)CN(CCCCNC(=O)NNc2ccncn2)C1	296307091	KQSMSSSPFCLPOW-ZIAGYGMSSA-N	320.441	1.861	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)N[C@@H]2CC2(C)C)c1	299033074	COCXESCGKSWPEH-CYBMUJFWSA-N	305.378	1.811	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cc(F)cc2nn[nH]c12	800520510	CYGJNOHVGYKZEY-UHFFFAOYSA-N	316.252	1.762	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccc(F)cc2)c(C)n1C	298191374	ATCZYPPPLDVHCE-UHFFFAOYSA-N	319.336	1.621	50	20	DDGD	
C/C=C/COc1cccc(CC(=O)NNC(=O)NC2CC2)c1	294852242	ZJSLVLWRYLGQGW-NSCUHMNNSA-N	303.362	1.677	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(-n3ccnc3)nn2)ccc1O	804954145	KXWMQTLRXZIRCZ-UHFFFAOYSA-N	310.317	1.433	50	20	DDGD	
COCCOCc1ccc(/C=C(\C#N)C(=O)OCCOC)cc1	290042483	ZAMGHVVNJXPUMI-LFIBNONCSA-N	319.357	1.946	50	20	DDGD	
Cc1ccc(S(C)(=O)=O)cc1C(=O)NNc1cccc(F)n1	804765887	ABAYQSUKMVWSMC-UHFFFAOYSA-N	323.349	1.690	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)CNc1ccccc1OC	295396483	LRIUAZNOYYLENN-CYBMUJFWSA-N	309.366	1.070	50	20	DDGD	
C#CCn1cc(CNC(=O)c2c(C)nn(CCCl)c2C)cn1	807941508	YURZUKAJYSCTFA-UHFFFAOYSA-N	319.796	1.498	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc2c(F)cccc2[nH]1	295392292	LOHFDQWGQDZGSL-CYBMUJFWSA-N	305.309	1.637	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cnc3cc(C)nn3c2C)n1	298164874	XPXBZZVUSGZLJB-UHFFFAOYSA-N	311.349	1.510	50	20	DDGD	
COC[C@@H](NC(=O)NNc1ncc(F)cc1F)[C@@H]1CCCO1	298200878	FOCYSSCXUFCREG-MNOVXSKESA-N	316.308	1.180	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)CC[C@H]2CCOC2)cc1	802120383	AMMHSYPASIXWIL-LBPRGKRZSA-N	320.393	1.722	50	20	DDGD	
CC(=O)CCc1ccc(O[C@@H](C)C(=O)NNc2nnc[nH]2)cc1	294054753	XHTKWTMNZYLIMB-NSHDSACASA-N	317.349	1.237	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNc1ccccc1S(=O)(=O)N(C)C	294521910	FFPRZQDFZAUJMB-AWEZNQCLSA-N	324.406	1.320	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C12CCCN1CCC2	290763195	KLXMIVLYYPXZQS-UHFFFAOYSA-N	303.362	1.085	50	20	DDGD	
Cn1nnc2c1C[C@H](C(=O)NNc1ccc(Cl)cc1)CC2	291187005	DZDAHUMJOBQBAG-SECBINFHSA-N	305.769	1.717	50	20	DDGD	
Cn1cc(Oc2ccccc2C(=O)NNC(=O)CC2CC2)cn1	294058321	GHECJLSVOBFZLM-UHFFFAOYSA-N	314.345	1.774	50	20	DDGD	
CN(NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C1CC1	819648252	YSQPMVOTHUMGJK-SNVBAGLBSA-N	307.781	1.818	50	20	DDGD	
O=C(NCCc1cn[nH]c1)NNC(=O)c1cc2ccccc2o1	811887805	FFVDYVUVNXVGPO-UHFFFAOYSA-N	313.317	1.343	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NCCCSC#N)nc1C	819699156	UPIQIHKBJWYORM-UHFFFAOYSA-N	307.375	1.901	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)CC1CC1)NC(=O)c1ccccc1	819110110	UCRGBYMCXYGTSO-NSHDSACASA-N	303.362	1.143	50	20	DDGD	
CC(C)CC(=O)NN=C1CCCc2ccc(S(N)(=O)=O)cc21	811634154	FDEVUZGPNXWDPG-UHFFFAOYSA-N	323.418	1.537	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@](C)(O)C2CCC2)c1	813364335	NROMSFCAKFVCRB-KRWDZBQOSA-N	320.389	1.381	50	20	DDGD	
CCN(CC(=O)NNc1nc[nH]n1)Cc1ccccc1Cl	816632402	HDUHQYSBGRMDPE-UHFFFAOYSA-N	308.773	1.423	50	20	DDGD	
COC(=O)c1cc(Br)cc(C(=O)NNC(C)=O)c1	812449537	OLUYQXKVOPSHKL-UHFFFAOYSA-N	315.123	1.017	50	20	DDGD	
C[C@H](CBr)CN[C@H](C1CC1)[C@]1(CO)CCCO1	815289813	CKRFLLIJWHVWGW-RAIGVLPGSA-N	306.244	1.927	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1CC[C@H](C(=O)O)C[C@@H]1C	814795423	VXYUGDRVWYVLJU-XPUUQOCRSA-N	310.379	1.640	50	20	DDGD	
O=C(NNc1ncncc1F)c1cc(O)nc2ccc(F)cc12	817077168	BDOQAQJEZLPJAE-UHFFFAOYSA-N	317.255	1.766	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1Cc2ccccc2OC(C)(C)C1	829931205	JDVAYKROENOONG-UHFFFAOYSA-N	319.405	1.463	50	20	DDGD	
CCCc1nc(C)c(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)o1	826855757	HBVYECKEISXYTA-GHMZBOCLSA-N	324.381	1.191	50	20	DDGD	
COC(=O)NNC(=O)COc1ccc(F)cc1Br	490557235	YXWLUQRFZDGLIP-UHFFFAOYSA-N	321.102	1.354	50	20	DDGD	
CCCc1c(C(=O)NN(C)[C@H](C)CO)cnn1C1CCCC1	823935169	OLGCOGQUPZNHLL-GFCCVEGCSA-N	308.426	1.908	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)NOCC1CCC1	824022774	UCBWNRWWGLXULJ-UHFFFAOYSA-N	323.349	1.136	50	20	DDGD	
Cc1cc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)cn(C)c1=O	490976103	QJXTTYOJCUNGQJ-MDWZMJQESA-N	309.325	1.945	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@H]1CCCCN1C1CCCC1	825505752	TZWZVPABVAAPHT-LLVKDONJSA-N	321.343	1.883	50	20	DDGD	
CN1CCCC(C)(C)[C@@H]1CNC(=O)NNC(=O)OC(C)(C)C	496256645	SLVXFTFQLJARRU-NSHDSACASA-N	314.430	1.846	50	20	DDGD	
CC[C@@H](CO)C(=O)NNC(=S)Nc1ccc(OC)c(F)c1	822649411	ZUQNRYPLUFODIE-QMMMGPOBSA-N	315.370	1.170	50	20	DDGD	
CO[C@H](C)CNC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	821723125	QSHPRBUDLXYYGY-YPMHNXCESA-N	323.393	1.436	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1cnc2ccccc2n1)C(C)(C)C	829345380	LHXGQLYZUCDUGZ-CQSZACIVSA-N	315.377	1.624	50	20	DDGD	
Cc1cccc2sc(NNC(=O)C[C@H]3CCC(=O)NC3)nc12	828358696	OCMVSPJJXCOJBP-SNVBAGLBSA-N	318.402	1.964	50	20	DDGD	
O=C(NCCn1cncn1)NNc1ccc(Cl)cc1Cl	726708825	IFADHDIRXZAUOP-UHFFFAOYSA-N	315.164	1.911	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccnc(-c2ccc(Cl)cc2)n1	823922001	GRRWHICYAHHIDX-SNVBAGLBSA-N	320.780	1.754	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](CC(=O)N(C)C)c1ccccc1	491080275	CSXOZHDECWNSEF-IKESIWSLSA-N	315.373	1.766	50	20	DDGD	
COc1cc(C(C)=NNC(=O)CN(C)C)ccc1OC(F)F	727650104	URXLZVRULBZNIL-UHFFFAOYSA-N	315.320	1.698	50	20	DDGD	
O=C1C[C@H](C(=O)NNC(=O)C2CCCC2)[C@@H]2CCCC[C@H]2N1	821754368	AJBZKDKWUSJXQG-RWMBFGLXSA-N	307.394	1.019	50	20	DDGD	
O=C([C@@H](O)c1cc(Cl)cc(Cl)c1)N1CC[C@H](B(O)O)C1	585063556	BZZRVWJUTPKIAK-KWQFWETISA-N	317.965	1.102	50	20	DDGD	
CCCN1CCC[C@@H](C(=O)NNC(=O)c2cccc(C#N)c2)C1	906566149	NCHDQWMNPAAYHW-OAHLLOKOSA-N	314.389	1.441	50	20	DDGD	
C#C[C@H](C)NC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	820439711	CCJCORHCAJPJIU-AAEUAGOBSA-N	303.362	1.423	50	20	DDGD	
COc1ccc2c(c1)[C@@H](C(=O)N1CC[C@@H](B(O)O)C1)CCC2	585063896	JTQVZAMONAZVEE-OCCSQVGLSA-N	303.167	1.190	50	20	DDGD	
C[C@]1(C(=O)N2CCS[C@@H]3COCC[C@H]32)C[C@H]1Br	907053028	ADZSDJYPYNVHGH-BFLSOPEQSA-N	320.252	1.893	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCOC(C)(C)C2)cn1	491015044	ZFHSYNCNMIATMU-KXQKXUNCSA-N	302.378	1.648	50	20	DDGD	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CC[C@@H](B(O)O)C1	585069163	LXWMSMAWBCZLBI-KBUPBQIOSA-N	311.231	1.539	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](c2cc[nH]n2)C1	732197915	QLLSIVNCEIEZHB-CHWSQXEVSA-N	321.425	1.171	50	20	DDGD	
O=C(NNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccncc1	731470273	YGZLVSXMWVLBBM-UHFFFAOYSA-N	304.237	1.204	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)c1cc(Br)c[nH]1	822234066	BKRHNSWSIAVNTK-VIFPVBQESA-N	318.171	1.353	50	20	DDGD	
CNc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H](B(O)O)C1	585064151	NAKCEUGVRXLRBN-VIFPVBQESA-N	316.088	1.436	50	20	DDGD	
COC12CC3C[C@@H](C1)C(NCc1ccccc1B(O)O)[C@@H](C3)C2	585042235	MLTBLNZIFLCYBF-LAIZXFPASA-N	315.222	1.050	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)C1(C#N)CCCCC1	494457741	XDXXWGNMRDXIJR-UHFFFAOYSA-N	324.381	1.133	50	20	DDGD	
C#Cc1ccc(C(=O)NNc2ccc(Br)nc2)nc1	732838773	ZDYTZUGQZICGOH-UHFFFAOYSA-N	317.146	1.977	50	20	DDGD	
Cc1cccc(C)c1OCCC(=O)NNC(=O)c1c[nH]nc1C	732084733	ZTHZQXNCYLRILL-UHFFFAOYSA-N	316.361	1.565	50	20	DDGD	
O=C(NNc1cccc(F)n1)N[C@H]1C[C@@H]2CCCCN2C1=O	836692110	OIPUCVGLTBFBNF-UWVGGRQHSA-N	307.329	1.000	50	20	DDGD	
CCCNC(=O)NNC(=O)C[S@@](=O)c1ccc(Cl)cc1	900392884	HDQUHTXEYLXCGW-HXUWFJFHSA-N	317.798	1.188	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21)c1cccc2ncccc12	906603455	ZFMFGDDYPGTOAM-NILFDRSVSA-N	309.325	1.221	50	20	DDGD	
Cc1cccc([C@H]2CCCN2C(=O)c2cccc(B(O)O)c2)c1C	584952621	XNUKOFBWBUGWAV-GOSISDBHSA-N	323.201	1.961	50	20	DDGD	
OB(O)c1ccccc1CNC1CCC(N2CCCCC2)CC1	585027292	ZFIDONWTUOBUPY-UHFFFAOYSA-N	316.254	1.253	50	20	DDGD	
CC(C)c1nn(C)cc1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	831769846	ZVKKSUBPIZVHKG-NXEZZACHSA-N	309.370	1.121	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2ncccc2OC)n1	836660004	MIYSQNKLKQULEN-UHFFFAOYSA-N	318.337	1.024	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cc(Cl)ccc1[N+](=O)[O-]	739412483	BQMHHCRKNFVIPT-UHFFFAOYSA-N	312.713	1.223	50	20	DDGD	
CC1(C)c2ccccc2CCN1C(=O)c1ccc(B(O)O)cc1	584999248	DWTCTXBMPBZZID-UHFFFAOYSA-N	309.174	1.300	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)C(=O)NNC(=O)Cc1ccccc1F	837404111	FGXZLMCASRNZOK-NSHDSACASA-N	318.352	1.128	50	20	DDGD	
CC/C=C/CNC(=O)NNC(=O)COc1ccccc1[N+](=O)[O-]	838658851	LUSYWJULRCGQBI-ZZXKWVIFSA-N	322.321	1.270	50	20	DDGD	
COc1ccc(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)cc1	737080467	BHYFLLWSZIRLNV-UHFFFAOYSA-N	322.328	1.639	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1[N+](=O)[O-]	831046861	HVOVDVNZZYRAEF-ONGXEEELSA-N	322.321	1.481	50	20	DDGD	
CCN1C(=O)CCc2cc(NCc3cccc(B(O)O)c3)ccc21	585033762	BPAAJTKQYPGAJQ-UHFFFAOYSA-N	324.189	1.278	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H](CCC(C)C)NC(C)=O)n1	831882266	XDVVFXVKJVTLGW-GFCCVEGCSA-N	308.382	1.474	50	20	DDGD	
C#CC1CCN(CC(=O)NNC(=O)c2ccccc2Cl)CC1	830333702	GIDDYVKIWFVJKM-UHFFFAOYSA-N	319.792	1.446	50	20	DDGD	
CC[C@@H](c1ccncc1)N(CC)C(=O)c1ccc(B(O)O)cc1	584950232	KULQGLAPLQNZLZ-INIZCTEOSA-N	312.178	1.375	50	20	DDGD	
CC(C)[C@]1(C)C[C@H]1NC(=O)NNC(=O)COc1ccccc1F	838767535	RPKRHPMGBGLSNO-CJNGLKHVSA-N	323.368	1.970	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1[C@@H](C)CCC1(C)C	839617204	YSRYOEYOBGOCOJ-AWEZNQCLSA-N	317.433	1.948	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@@H]1CCc2ccccc2O1	839557051	TVRWRHYPIMERSB-JTQLQIEISA-N	302.252	1.480	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2	730592522	JMWNQSZSKVKALY-SGMGOOAPSA-N	318.446	1.782	50	20	DDGD	
CO[C@](C)(C(=O)NNc1ncccc1C)C(=O)OC(C)(C)C	834348815	UDJLUEBLKBGILD-OAHLLOKOSA-N	309.366	1.580	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cc(F)c(F)c(F)c1	831486827	ZITTYIGONFMKNS-HTRCEHHLSA-N	317.267	1.682	50	20	DDGD	
COCCN(C)CCNC(=O)NNc1c(F)cc(F)cc1F	916330679	LGYDCKXIQDSBTI-UHFFFAOYSA-N	320.315	1.308	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H](C)N(C)C)c1F	838685896	YCMSFQOBTANGDR-VIFPVBQESA-N	312.345	1.189	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1NC(=O)NNc1cccc(S(C)(=O)=O)c1	838766288	NINCWCOSRDJVIE-QWHCGFSZSA-N	311.407	1.761	50	20	DDGD	
C#CCO[C@@H](C)C(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	830614271	CSSOGSDAUIAAGT-QWRGUYRKSA-N	324.764	1.293	50	20	DDGD	
CCOC(=O)[C@H](CC(=O)NNc1cc(C)ccc1C)C(C)=O	830791212	CWOCVWXVPHVCNS-CYBMUJFWSA-N	306.362	1.905	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)C)c(C)n1-c1nccs1	915189277	KOUJDWNEESTYLD-UHFFFAOYSA-N	306.391	1.968	50	20	DDGD	
Cc1ccc(OCCNC(=O)NNC(=O)[C@H]2CCCCO2)cc1	836187522	ZOYNHKVHAALCRZ-CQSZACIVSA-N	321.377	1.273	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)CSC(F)F	916119877	ULIWROWYAYAETQ-UHFFFAOYSA-N	321.374	1.969	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)N[C@H]1CCCNC1	841944386	GRDGQAMUOHTTHY-NSHDSACASA-N	302.334	1.129	50	20	DDGD	
O=C(CCCn1cccn1)NNC(=O)Cc1ccc(F)cc1	745485100	IUTHMMZYHDSDBN-UHFFFAOYSA-N	304.325	1.193	50	20	DDGD	
CC(=O)c1cc(NC(=O)C(=O)NNC(=O)CC2CC2)ccc1C	847503242	JVQCCRHHGMROEL-UHFFFAOYSA-N	317.345	1.084	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H](C)CN2C[C@H](C)O[C@@H](C)C2)o1	916371045	HUMPAWMHRVQJOW-XBFCOCLRSA-N	307.394	1.783	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(S(N)(=O)=O)o1	748571830	QPDPIEZSYOOEIW-UHFFFAOYSA-N	313.310	1.131	50	20	DDGD	
Cc1ccccc1CCNC(=O)NNC(=O)CC(F)(F)F	918000650	MVKGCHYXOSECDS-UHFFFAOYSA-N	303.284	1.820	50	20	DDGD	
CC(C)(C)OC(=O)c1ccc(C(=O)NNc2ncccn2)cn1	845161877	BQIYPHZHEXSJEJ-UHFFFAOYSA-N	315.333	1.584	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H](C)C(C)C)c1	745024965	BUBZWKVHDCLUNI-LBPRGKRZSA-N	306.362	1.591	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNC(=O)Nc1ccc(OC)cc1	840444532	GOUXPHCLOOZFNQ-GFCCVEGCSA-N	323.349	1.437	50	20	DDGD	
C[C@@H](C(=O)NNc1nc(-c2ccccc2)no1)c1cnn(C)c1	749988102	RYFYBUOJLOPZGE-SNVBAGLBSA-N	312.333	1.717	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(N2CCCCCC2)nc1	910163541	DYUGTBUYGYZGQQ-ZDUSSCGKSA-N	306.410	1.419	50	20	DDGD	
CC(C)C(=O)N1CCC(C(=O)NNC(=O)NC2CCCC2)CC1	744053947	IBQZKKRJARPEKK-UHFFFAOYSA-N	324.425	1.154	50	20	DDGD	
COc1ccc(C(=O)NN=C2CCCn3ccnc32)cc1OC	848398715	CXMWDJWGFCBPPF-UHFFFAOYSA-N	314.345	1.828	50	20	DDGD	
CCn1ccc(CC(=O)NNc2ccccc2C(=O)OC)n1	845917482	RSRSDMYXUXFZPR-UHFFFAOYSA-N	302.334	1.375	50	20	DDGD	
COCC(=O)NNC(=O)Nc1nc2c(s1)CC(C)(C)CC2	841822391	DDVABIWEKCOLNP-UHFFFAOYSA-N	312.395	1.457	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cnc2ccccc12	843656697	YVZITSYINSQQFX-WCQYABFASA-N	313.357	1.729	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCCC1=NNC(=O)NCc1ccco1	741461435	IBKCMTUVDHCVLP-GFCCVEGCSA-N	313.379	1.422	50	20	DDGD	
CCC(CC)(CO)C(=O)NNC(=O)COc1ccc(C)c(C)c1	847287601	WQEFJJLQKJUYSD-UHFFFAOYSA-N	322.405	1.628	50	20	DDGD	
Cc1c(NNC(=O)c2ccc([N+](=O)[O-])cn2)cccc1[N+](=O)[O-]	748685038	HRZRHCDSIWJVGS-UHFFFAOYSA-N	317.261	1.963	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@H]1CCN(C)[C@@H](C)C1	745855799	ZYATTYJJVGXCJB-STQMWFEESA-N	319.409	1.813	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)c2cccc(OC(F)F)c2)C1	843788696	HNDLMTRIZYNPMD-VIFPVBQESA-N	312.272	1.418	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccccc1F)C(=O)OC(C)(C)C	840240117	XINJTNPAOLZMHL-VIFPVBQESA-N	310.325	1.565	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)N[C@H]1CCCNC1	841943410	NCOJWLWOBHOQGQ-JTQLQIEISA-N	300.309	1.666	50	20	DDGD	
NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ccc(C(F)(F)F)cn1	847753827	FTNMDDPZXBONOI-SFYZADRCSA-N	302.256	1.055	50	20	DDGD	
CCCC[C@H](CN)NC(=O)NNC(=O)Cc1ccccc1F	841958803	KJTCUQOAJZUJFK-GFCCVEGCSA-N	310.373	1.216	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)COC2(C)CCC2)c1	746296356	KPIRIAGQOFBIRN-UHFFFAOYSA-N	321.377	1.214	50	20	DDGD	
CN(CCC1CCCCC1)C(=O)NNC(=O)c1ncccn1	841594234	RIHANHKHJSKCHN-UHFFFAOYSA-N	305.382	1.733	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)C(=O)N2CCCC2)cc1F	748136117	BVFWJIUMMSVERD-UHFFFAOYSA-N	307.325	1.297	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)N[C@H]2[C@@H]3CNC[C@@H]32)cc1	841999509	DVBSSZNIFZEDOD-WDNDVIMCSA-N	316.405	1.146	50	20	DDGD	
CCOc1nccc(C)c1C(=O)NNc1nccnc1OC	840572710	WWVZHWVXTAREBQ-UHFFFAOYSA-N	303.322	1.344	50	20	DDGD	
CCN(C(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C)c1cnn(C)c1	848343098	ZDKHXWKFULTSOC-MKMNVTDBSA-N	322.372	1.899	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNC(=O)CCc1ccccc1O	842232730	VLXSELNDQAHPNS-AWEZNQCLSA-N	308.378	1.533	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cccc(C(=O)OC)c1OC	846431863	MGCLMKCKFHLATG-MDZDMXLPSA-N	304.302	1.864	50	20	DDGD	
C[C@]1(C(=O)N[C@H](CO)C[C@H]2CCCO2)C[C@H]1Br	923738359	FGRDPCGZUMDURD-XNDJQWLSSA-N	306.200	1.206	50	20	DDGD	
CC(=O)N1CC[C@@H](NC(=O)NNc2ccc(Cl)c(C)c2)C1	923370417	GKFCZDQBPGPERP-GFCCVEGCSA-N	310.785	1.895	50	20	DDGD	
CCNC(=O)N(C)N=Cc1ccc(N2CCC(O)CC2)cc1	853326989	VVARKSDYWNDOFT-UHFFFAOYSA-N	304.394	1.643	50	20	DDGD	
CCOCCn1cc(C(=O)NNc2ccc(Cl)cn2)cn1	857330848	WFZULGYGRWOTAU-UHFFFAOYSA-N	309.757	1.725	50	20	DDGD	
O=C(NCc1cccnc1N1CCCC1)NNc1cccnn1	852473613	CJGIRHPKBPPMBK-UHFFFAOYSA-N	313.365	1.298	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cn(C)nc1C1CC1)C1CC1	855096439	BALJMSKQPAEYGY-MRVPVSSYSA-N	307.423	1.205	50	20	DDGD	
CC[C@H]1C[C@@H](C)CN1CC(=O)NNC(=O)c1cccc(C#N)c1	756545153	QJVNHBICDWNSOZ-DOMZBBRYSA-N	314.389	1.440	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@@H]1CCCN2CCCC[C@@H]12	856919550	GFYLJWNYKQQBDF-NEPJUHHUSA-N	324.816	1.773	50	20	DDGD	
Cc1ncc(C=NNC(=O)[C@H]2COc3ccccc3O2)n1C	853261263	HMOADECMFHPHHZ-CQSZACIVSA-N	300.318	1.019	50	20	DDGD	
O=C(NCC1CCN(CC2CC2)CC1)NNc1ncncc1F	852704458	CUYBPRXQCPGXKY-UHFFFAOYSA-N	322.388	1.364	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cnn([C@H](C)CC)c1C1CC1	757802061	ZBNUEBXIVYKNOL-SNVBAGLBSA-N	323.397	1.921	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)NC(=O)NNc1ncc(Cl)cn1	856912547	MOJSXKDFLTWOSF-MRVPVSSYSA-N	309.761	1.121	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cc(N(C)C)ccn1)C1CC1	855103639	XJXVJDRVVIIJKS-SECBINFHSA-N	307.423	1.055	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1cnn2c1CCC2	857476557	PDAWBFATYWHDCB-UHFFFAOYSA-N	312.255	1.395	50	20	DDGD	
CCCCNC(=O)NN=Cc1ccc(OCC(=O)O)c(OC)c1	755661073	CIMUFUYMNGKJDB-UHFFFAOYSA-N	323.349	1.592	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCNc2ccccc21	850028447	AKEUTNQJDLDQPS-JQWIXIFHSA-N	319.361	1.075	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@H](CC(N)=O)C2)C[C@@H]1Br	856898072	WKQYSFVSAYQMJP-VDDIYKPWSA-N	318.215	1.067	50	20	DDGD	
O=C(NC[C@H]1CCCN(CC2CC2)C1)NNC(=O)C1CCCC1	852278790	BGPOIDGCTURGRV-CQSZACIVSA-N	322.453	1.629	50	20	DDGD	
C#CCSCCNC(=O)NC[C@]1(C)C[C@@H]1Br	856836474	OGTIPYPJCCIRDY-ONGXEEELSA-N	305.241	1.826	50	20	DDGD	
CC(=O)N1CCC(NC(=O)NNc2ccc(Cl)cn2)CC1	852182408	WKAXUFCHWTUJNC-UHFFFAOYSA-N	311.773	1.372	50	20	DDGD	
C[C@H]1CN(C2CC2)CC1=NNC(=O)COc1ccccc1C#N	755886856	DTYNPPNHANISAY-LBPRGKRZSA-N	312.373	1.523	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H]2CCC[C@@H]2CO)C[C@H]1Br	856958519	MMKSPVVNZSQUHG-DNRKLUKYSA-N	305.216	1.620	50	20	DDGD	
CCC1(C(=O)NNC(=O)c2ccc(Cl)cc2OC)COC1	755092710	XIMWGNUJNBWVHS-UHFFFAOYSA-N	312.753	1.536	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1cccc(C(N)=O)c1	755587407	UIJRULZGWSVXTE-CYBMUJFWSA-N	316.405	1.358	50	20	DDGD	
CCc1cccc(OCC(=O)NNC(=S)N[C@@H](C)C2CC2)c1	751620716	LMMIHNMEMYFZKS-NSHDSACASA-N	321.446	1.922	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc2c(c1)OC(C)(C)O2	756222062	LLPYHHRYXVYRKW-UHFFFAOYSA-N	309.322	1.383	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)COc1cc(C)cc(C)c1	864459182	CJGMQOVEYRTKQO-UHFFFAOYSA-N	308.378	1.645	50	20	DDGD	
N#C/C(=C\c1cn(-c2ccc(F)cc2)nn1)C(=O)N1CCCC1	863177510	NDRJDYWZILMPSI-FMIVXFBMSA-N	311.320	1.936	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F	869067682	FQRRSCQQHKEHKI-MMWGEVLESA-N	322.327	1.928	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2CCO[C@H](C(C)C)C2)n1	933985507	IQMNUNKGCHHVCI-NEPJUHHUSA-N	308.382	1.688	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(C(=O)OC)cnc1Cl	861534993	UUPVQJCXRSEWDM-UHFFFAOYSA-N	316.701	1.304	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](C)C1CCOCC1	761989825	AQRQWGVQKAZSIW-LBPRGKRZSA-N	305.378	1.754	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1scc(C)c1Cl	869905342	AQPDHUTZIZVPAW-UHFFFAOYSA-N	306.771	1.134	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccc[nH]1)n1ccc(C(F)(F)F)n1	864588932	XEAZHNIGZCDDTC-SSDOTTSWSA-N	315.255	1.252	50	20	DDGD	
Cc1ccc(CO[C@@H](C)C(=O)NNC(=O)c2cc[nH]n2)cc1	862167807	CQVNXZJDLBPBCW-NSHDSACASA-N	302.334	1.084	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2nc3ccccc3[nH]c2=S)CCN1	862293636	KTXWNPKJUJPMNG-MRVPVSSYSA-N	317.374	1.262	50	20	DDGD	
C[C@H](NNC(=O)C1(c2ccccc2)CC(=O)C1)C(F)(F)F	862319973	OIUSUYCYIRONSJ-VIFPVBQESA-N	300.280	1.859	50	20	DDGD	
CCC[C@H](C(=O)NNC(=O)Cc1cc(C)[nH]n1)c1ccccc1	869013348	XBTOOWNCKGHKLZ-HNNXBMFYSA-N	314.389	1.992	50	20	DDGD	
C[C@H](NNC(=O)c1cc(CN2CCCC2)on1)C(F)(F)F	862320966	PPAKXDJMIBMQCL-QMMMGPOBSA-N	306.288	1.456	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2c(F)ccc(F)c2Cl)CC1	863107339	MWHSMLPSKSGLNQ-UHFFFAOYSA-N	316.739	1.909	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)[C@H]1CCCN1c1ncccn1	768453206	VYHVBWBHQTWJMW-GFCCVEGCSA-N	318.768	1.059	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)CN(C)C)cc2ccccc12	933776722	LBPUIDAICKHTJT-UHFFFAOYSA-N	316.361	1.563	50	20	DDGD	
CCCNC(=O)NN=C1C(=O)N(C)c2cc(N(C)C)ccc21	761800957	RUJKULAXIKVQNW-UHFFFAOYSA-N	303.366	1.142	50	20	DDGD	
O=C(CSc1nc2cnccc2s1)NNC(=O)C1CC1	863361189	DRQNIAXCGMMMJN-UHFFFAOYSA-N	308.388	1.341	50	20	DDGD	
C[C@H](OC[C@H]1CCCO1)C(=O)NNc1nc2ccccc2[nH]1	768511877	DXQFJTUIFCXBJA-WDEREUQCSA-N	304.350	1.590	50	20	DDGD	
CC(=NNC(=O)c1cc(C)[nH]n1)c1ccc([S@@](C)=O)cc1	764796281	DVIZITXZFKEKIA-OAQYLSRUSA-N	304.375	1.610	50	20	DDGD	
Cc1c(NNC(=O)c2cn(C3CC3)nn2)cccc1[N+](=O)[O-]	860325559	ISLVMOUWXGXSKX-UHFFFAOYSA-N	302.294	1.587	50	20	DDGD	
Cc1ccsc1C=NNC(=O)CNC(=O)c1cccnc1	763197051	ZBFANGAYFRLIJQ-UHFFFAOYSA-N	302.359	1.332	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)cc1	863856665	IAXUSIUWLIXSGA-GFCCVEGCSA-N	313.361	1.225	50	20	DDGD	
CCCn1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)nn1	865214322	QZAUOQSABLFWHW-RVDMUPIBSA-N	309.373	1.954	50	20	DDGD	
Cc1cn2ccnc(C(=O)NNc3cccc([N+](=O)[O-])c3)c2n1	762138730	FLRGGPGSYIOEOK-UHFFFAOYSA-N	312.289	1.703	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](C)Cn2ccc(C)n2)c1	867292613	QXRCEOYYCXNTBM-NSHDSACASA-N	316.361	1.758	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cccc(C(C)=O)c1	763486123	UJFNPVNNRMBUNI-UHFFFAOYSA-N	301.306	1.836	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2csc3c2CCCC3)n[nH]1	869013044	JPFJCBDIBNQDAN-UHFFFAOYSA-N	318.402	1.662	50	20	DDGD	
CCCn1cc(C(=O)NNc2ncccc2C(F)(F)F)nn1	767150253	PVMSLCYFMSAUFG-UHFFFAOYSA-N	314.271	1.859	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H]1CCc2ccc(OC)cc21	761625309	NYKVYVFREJBSGH-ZDUSSCGKSA-N	305.378	1.856	50	20	DDGD	
N#CC1=CCN(C(=O)c2ccc(=O)n(-c3ccccc3)n2)CC1	767159407	CSGQFVBWIBYXEA-UHFFFAOYSA-N	306.325	1.528	50	20	DDGD	
O=C(NNc1ncccn1)C(=O)Nc1cccc2cccnc12	1116645316	DTZXPJNPUAAQNC-UHFFFAOYSA-N	308.301	1.107	50	20	DDGD	
CCOC(=O)C1CCC(NC(=O)NN(C)C(=O)OC)CC1	875160989	DSPUHHLBYJDLIR-UHFFFAOYSA-N	301.343	1.021	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	770575254	PPBGIAQCQIGZCB-LJVYNOFUSA-N	306.406	1.775	50	20	DDGD	
COC(=O)[C@@H](C)SCC(=O)NNC(=O)c1cccc(C)c1	777504637	WOFSHWQHAXGIHA-SNVBAGLBSA-N	310.375	1.051	50	20	DDGD	
CS[C@@H](C)CCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	774076655	JSTRJNNQCDIABI-WDEREUQCSA-N	308.469	1.010	50	20	DDGD	
CCOC(=O)c1n[nH]cc1/C=C(/C#N)C(=O)C1CCOCC1	1116890550	YGIQMWHAXVVYQD-XFFZJAGNSA-N	303.318	1.489	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)NOC2CCCC2)c1	775486158	ZUSJZCLLLJGSMM-UHFFFAOYSA-N	321.377	1.887	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)Cn2ccc(C)n2)c(O)c1	878325875	MPJVPXUBGFHGOA-LLVKDONJSA-N	316.361	1.303	50	20	DDGD	
O=C(NNc1ncccn1)c1csc(C2CCNCC2)n1	870862907	FTOASKQIMRCLRH-UHFFFAOYSA-N	304.379	1.157	50	20	DDGD	
O=C(CCN1CCOCC1)NNc1cc(Cl)ccc1F	871272692	YMUCNQDLSUXELD-UHFFFAOYSA-N	301.749	1.645	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cnc(Br)cc1C	878901273	ABONGVVCQONNEA-UHFFFAOYSA-N	317.143	1.887	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccccc1-n1cccn1	1115865776	IWDXUYCBZVLAKQ-UHFFFAOYSA-N	303.391	1.390	50	20	DDGD	
CC(C)(C)[C@@H](NC(=O)NNC(=O)c1ccc[nH]1)C(F)(F)F	775981737	TXJUZSCSTGRXJM-SECBINFHSA-N	306.288	1.936	50	20	DDGD	
COCC(C)(C)C(=O)NNc1cncc(Br)c1	1116394027	FXHNZCPZJGMQRP-UHFFFAOYSA-N	302.172	1.960	50	20	DDGD	
CC(C)SCC(=O)NNc1cccc(S(C)(=O)=O)c1	776528611	QXRKJKMGXREHNZ-UHFFFAOYSA-N	302.421	1.675	50	20	DDGD	
C[C@@H]1CCN(C(=O)[C@@H](Br)C(C)(C)C)[C@H](C(N)=O)C1	779305715	RAZPWKPUDWAXNS-KXUCPTDWSA-N	319.243	1.908	50	20	DDGD	
O=C(CN1CC[C@@H](CF)C1)NNC(=O)c1ccccc1Cl	880295808	XSFNLSZLUVMBNG-JTQLQIEISA-N	313.760	1.392	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)Cc1ccc(C)cc1	772240833	LGPFLSHFUZWSKZ-CHWSQXEVSA-N	320.389	1.663	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNc2nc(-c3ccncc3)no2)o1	772175667	MRVWHWQFLSCYEU-UHFFFAOYSA-N	313.273	1.684	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1F)[C@H]1CCCS(=O)(=O)C1	885154052	VTFRYXDBYASMCT-ZETCQYMHSA-N	322.308	1.372	50	20	DDGD	
O=C(NNC(=O)C1(c2ccc(F)cc2)CCC1)c1cccnn1	882058016	LMYVNSWKYJYTGK-UHFFFAOYSA-N	314.320	1.499	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cc(N(C)C)ccn1	772823521	OMFQQFOBVLPLQV-UHFFFAOYSA-N	300.366	1.818	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccccc1O	771882245	SMKOGSREQCCWSH-SNVBAGLBSA-N	308.334	1.131	50	20	DDGD	
Cc1ccccc1C[C@H](CO)NS(=O)(=O)CCCCl	882112200	PONNIIOHKKUVCF-CYBMUJFWSA-N	305.827	1.447	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)c2cc3ccccc3cc2O)CO1	784764652	JKAHXZRCKKCCGX-MFKMUULPSA-N	314.341	1.731	50	20	DDGD	
Cc1nnc(COCC(=O)NNc2cc(F)ccc2F)s1	885142296	ZPPUREVBDNVPMS-UHFFFAOYSA-N	314.317	1.785	50	20	DDGD	
O=S(=O)(CCCCCl)NC[C@@H](CO)Cc1ccco1	780786438	BISUMQBCSYPFBX-NSHDSACASA-N	309.815	1.369	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2cccnc2Cl)c1	783931381	OGOBXDMHULXTNR-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
C[C@@H]1C[C@@H](CCNS(=O)(=O)CBr)CCO1	784417759	MZYNCEHXIQPLQC-BDAKNGLRSA-N	300.218	1.463	50	20	DDGD	
Cc1ncc(NC(=O)C(=O)NNc2ccc(F)cc2C)cn1	783446295	OJIOMGYEKFPWDC-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cccc(OC)n2)s1	780772614	HBGAYKIINRFXGN-UHFFFAOYSA-N	307.331	1.695	50	20	DDGD	
Cc1c[nH]cc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c1=O	781417760	ODIKAYRYHWSITR-UHFFFAOYSA-N	324.340	1.168	50	20	DDGD	
CSSCCNC(=S)NCCCN1CCOCC1	789323391	BJIASQAZYGBUDW-UHFFFAOYSA-N	309.526	1.184	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=S)NC1(C)CC1	789172265	FLIZEHVMAMVNGT-VIFPVBQESA-N	311.382	1.641	50	20	DDGD	
CCC(=NNC(=O)Cc1cc(O)nc(O)n1)c1cccc(F)c1	783521560	VFQTXPJDTKAKHD-UHFFFAOYSA-N	318.308	1.500	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@H](O)CCc1ccccc1	899996686	QFDPFVWQPVULMH-GFCCVEGCSA-N	309.435	1.274	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(C)C1CN(C(=O)OC(C)(C)C)C1	793469168	OQXPKYQKRDLKEF-ZHACJKMWSA-N	309.366	1.508	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	794897948	BSHJQYLFNWLWCU-MRXNPFEDSA-N	303.362	1.673	50	20	DDGD	
Nc1c(F)cc(Cl)cc1C(=O)NNC(=O)c1ccccn1	798271150	BHAAEKCWCQRQMN-UHFFFAOYSA-N	308.700	1.531	50	20	DDGD	
CC[C@@H](C)CC(=O)OCC(=O)NNC(=O)Cc1ccccc1C	791501676	HCGDJUAFGMKLOU-GFCCVEGCSA-N	320.389	1.664	50	20	DDGD	
O=C(NNC(=O)c1c(F)ccc(O)c1O)c1ccccc1O	790070619	WFWPHRDSCGESPS-UHFFFAOYSA-N	306.249	1.017	50	20	DDGD	
O=C(CCc1cnc[nH]1)NNC(=O)c1ccc2ccccc2c1	793103780	JARMYAFRVFCJJE-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccnn1-c1ccccc1	792481061	CZYHNHXSIZAGAO-UHFFFAOYSA-N	319.328	1.672	50	20	DDGD	
CC(=NNC(=O)c1ccc(O)c(Cl)c1)c1ccc(O)nn1	790163869	DPFQEEKRGMTRMZ-UHFFFAOYSA-N	306.709	1.695	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)Cn2ccc3ccccc32)cn1	796181569	VTEGYWCHHREOAP-UHFFFAOYSA-N	323.356	1.539	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CCc1cncn1C	793776653	IZVXPKPRXNEMIA-UHFFFAOYSA-N	302.334	1.283	50	20	DDGD	
CC(=O)Nc1c(C)cccc1C(=O)NNc1nc2ccccn2n1	791252637	GGAFECKIXNYICF-UHFFFAOYSA-N	324.344	1.753	50	20	DDGD	
C=C(CBr)CN(C1CC1)[C@H](C)CS(C)(=O)=O	791459661	RJFLIZDMLWZPBM-SNVBAGLBSA-N	310.257	1.835	50	20	DDGD	
O=C(CCc1nc(-c2ccccc2)no1)NNC(=O)C1CCC1	1318402767	JUNNHOXWLKLXNI-UHFFFAOYSA-N	314.345	1.617	50	20	DDGD	
C[C@H]1CCc2nc(C=NNC(=O)C(=O)N3CCCC3)sc2C1	1324253932	OCXQVVJRDXIXQW-JTQLQIEISA-N	320.418	1.340	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)nc2ccccc12	1326336810	UCPSDRYCKXTYIJ-DGCLKSJQSA-N	313.357	1.729	50	20	DDGD	
CNC[C@H](C)CNC(=O)NNC(=O)CSc1ccc(C)cc1	1326131597	BDJYYGOJUGXOMF-LBPRGKRZSA-N	324.450	1.273	50	20	DDGD	
COC(=O)C(=O)NN=Cc1cc(Br)ccc1Cl	1322669851	VDSBKJJSBHIJHD-UHFFFAOYSA-N	319.542	1.726	50	20	DDGD	
COc1cccc(C[C@H](O)C(=O)NNc2cccc(Cl)n2)c1	1324302981	NJHGLEIMVUKISO-LBPRGKRZSA-N	321.764	1.790	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@H]1CCN(c2cnn(C)c2)C1	1320826381	BWBWRAMCIZUZJZ-LBPRGKRZSA-N	315.381	1.029	50	20	DDGD	
Nc1cnnc(NNC(=O)COCCc2ccccc2)c1Cl	1322656332	RQAJGOQEVOAELW-UHFFFAOYSA-N	321.768	1.415	50	20	DDGD	
Cc1coc(C(=O)NNC(=O)Cc2cn3ccccc3n2)c1C	1259463834	AZMVWZXKXUZZLF-UHFFFAOYSA-N	312.329	1.548	50	20	DDGD	
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NNc1nncc(N)c1Cl	1253124436	STNATKVDPIUKJJ-ZCFIWIBFSA-N	323.788	1.374	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CCOC(C)(C)C2)nc1	1336416063	IEIVRSMHKOIOOG-SNVBAGLBSA-N	307.350	1.517	50	20	DDGD	
CCOC(=O)NC1CCC(=NNC(=O)C2CCOCC2)CC1	1333653125	BPSGZLRMYQDVKB-UHFFFAOYSA-N	311.382	1.574	50	20	DDGD	
CC1CCN(CCC(=O)NN=C2CCCn3nccc32)CC1	1330638411	ZTMUNUPKTVPIOZ-UHFFFAOYSA-N	303.410	1.619	50	20	DDGD	
CNC[C@@H](C)CNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	1348555521	PKYIELBZMOTISO-GFCCVEGCSA-N	320.437	1.784	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@@H](ON)C(C)C	1341973617	MQABNCNFLCJIKX-LLVKDONJSA-N	302.806	1.383	50	20	DDGD	
O=C(NNC(=S)Nc1cccc(F)c1F)[C@H]1CCCCO1	1348487692	HQRHFHNFLAHEEC-SNVBAGLBSA-N	315.345	1.852	50	20	DDGD	
CSCCCCCCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	1261453591	KJWHMWHXIHKPMR-NEPJUHHUSA-N	317.455	1.665	50	20	DDGD	
COc1cc(CCNC(=O)NNC(=O)CC(C)C)cc(OC)c1	1528109637	NFQWMWUJHNNDHL-UHFFFAOYSA-N	323.393	1.623	50	20	DDGD	
Cc1cccc(NNC(=O)Cn2ccc(C(=O)O)n2)c1Cl	1607857046	JXPWIAZBDXCABI-UHFFFAOYSA-N	308.725	1.686	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc(C(=O)O)cn2)c(C2CC2)n1	1600932834	SXFQEFZBOGGOFW-UHFFFAOYSA-N	301.306	1.148	50	20	DDGD	
Cc1c(CC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)cnn1C	1600010968	CAYFTVTWZFDXDE-UHFFFAOYSA-N	319.273	1.483	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H]1CCc2cc(-c3nn[nH]n3)ccc21	1609239901	ZTQUTKDFFDQGKW-UQTJOTSZSA-N	324.344	1.414	50	20	DDGD	
COc1cc(CCC(=O)NNc2cccc(C(=O)O)c2F)on1	1607155607	RUPNPTLHSMJTNE-UHFFFAOYSA-N	323.280	1.596	50	20	DDGD	
O=C(CNc1ccccc1F)NN=Cc1cc(C(=O)O)no1	1601329790	RYONKSNVZQEAPV-UHFFFAOYSA-N	306.253	1.074	50	20	DDGD	
Cc1nn(CCC(=O)O)c(C)c1C=NNC(=O)[C@@H]1CCCS1	1600784801	UWJAVCGLQNGWKA-LBPRGKRZSA-N	324.406	1.320	50	20	DDGD	
N#C[C@@]1(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)C[C@H]2CC[C@H]1C2	1606340102	CSKCLHDBVVBQJN-PKWAYOAASA-N	323.360	1.640	50	20	DDGD	
O=C(NNc1ncccc1Cl)Nc1ccc(C(=O)O)cn1	1601561986	MHEQINSETZZXOG-UHFFFAOYSA-N	307.697	1.977	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNc1ccc(C(=O)O)cc1OC	1609899769	LJEPQIXPZHNGLV-RNCFNFMXSA-N	310.350	1.898	50	20	DDGD	
O=C(NCc1cccnc1O)NNc1ccc(F)c(C(=O)O)c1	1601541804	RSLGMAGSTNKUSJ-UHFFFAOYSA-N	320.280	1.451	50	20	DDGD	
Cc1oc(C(=O)O)cc1C(=O)NNC(=O)c1cccc(Cl)n1	1600826440	SHSKTNQBTKSXHR-UHFFFAOYSA-N	323.692	1.409	50	20	DDGD	
Nc1nc(Cl)ccc1C(=O)NNc1ccc(C(=O)O)cc1F	1608275363	IJFJWHKTNDKNMH-UHFFFAOYSA-N	324.699	1.911	50	20	DDGD	
Cc1c(C(=O)O)cc(C=NNC(=O)c2ccccc2F)n1C	1610407192	IWCNWXUBYGDZNH-UHFFFAOYSA-N	303.293	1.935	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1cccc(N)c1	1549319605	IDKQTUUELVMMIA-GDBMZVCRSA-N	316.405	1.362	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](F)Cl)n[nH]1	1818037437	GFOOGIHOQAWHTL-MWLCHTKSSA-N	302.737	1.956	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cnc(CN)s2)c1	1578877864	MBTOSIHMRUKRKO-UHFFFAOYSA-N	306.347	1.145	50	20	DDGD	
C[C@H](O)C[C@H]1COCCN1C[C@@H](CBr)C1CC1	859254041	MFLVXKXNWXEJCN-UHTWSYAYSA-N	306.244	1.879	50	20	DDGD	
N[C@@H](C(=O)NNC(=S)NCC1CCC1)C1CCCCCC1	1580115151	NFPNJIFMFYSXON-CYBMUJFWSA-N	312.483	1.580	50	20	DDGD	
C=CCn1cc(C(=O)NNc2cccc(C(=O)O)c2F)nn1	1588910350	SAKNNFSTPWLACJ-UHFFFAOYSA-N	305.269	1.058	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2ccc(CC(=O)O)cc2)CCO1	1594256979	BKTNKAOEXBRMTH-GWCFXTLKSA-N	307.350	1.507	50	20	DDGD	
CO[C@@H](C(=O)O)C(=O)NNc1ccc(Br)c(C)c1	1593911616	OQOPEHIQOLVLDQ-SECBINFHSA-N	317.139	1.300	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2cccc(F)c2Cl)O[C@H]1C(=O)O	1599875973	MKYZQRFJPFUQBC-KNBVPPQFSA-N	316.716	1.800	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](CC(=O)O)Cc1ccccc1	1596865125	ZTTZZIVSIOROLD-CMPYXILNSA-N	302.330	1.633	50	20	DDGD	
Cc1cccc(C)c1CNC(=O)NNC(=O)c1cnn(C)c1	161943940	SNRIQOOXOHGTOG-UHFFFAOYSA-N	301.350	1.181	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccnc1)c1c(F)cccc1F	161973780	QJMMIFHZDMSTCU-VIFPVBQESA-N	305.284	1.925	50	20	DDGD	
CCc1n[nH]c(=O)c(CNC(=O)NNc2ccccc2)c1CC	160387865	NNWQELXVOIHUEJ-UHFFFAOYSA-N	315.377	1.721	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(C)nc1Br	157889541	GNKGDIILWMVHLM-UHFFFAOYSA-N	302.128	1.543	50	20	DDGD	
NC(=O)NC1(C(=O)NN(Cc2ccccc2)c2ccccc2)CC1	157502701	RHJYAYBKBPXAQK-UHFFFAOYSA-N	324.384	1.925	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)[C@@H]2CCCc3sccc32)nn1	157827184	PYBUZLNCFINGIU-SECBINFHSA-N	317.374	1.200	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNC(=O)CCc2ccccc2O)c1	106288528	CXKWDVHIUVDPAE-UHFFFAOYSA-N	315.329	1.317	50	20	DDGD	
CNC(=O)NNC(=O)c1cccnc1Sc1ccccc1	56371555	NWZRMLXZDSPRNK-UHFFFAOYSA-N	302.359	1.807	50	20	DDGD	
O=C(CCOCc1ccccc1)NNC(=O)Cc1cccnc1	103423056	UUIFEDLEKGZTLU-UHFFFAOYSA-N	313.357	1.378	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCC1(c2ccccc2)CC1	103507131	FYOZVMPGROKOPN-UHFFFAOYSA-N	324.384	1.686	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(C#N)c2)cc([N+](=O)[O-])c1	103400573	PBSXPYATPCWRNV-UHFFFAOYSA-N	324.296	1.850	50	20	DDGD	
Cn1cc(/C=C(\C#N)c2nc3ccccc3n2C)c(=O)n(C)c1=O	25251484	DIRNPNNUXPMNLI-DHZHZOJOSA-N	321.340	1.035	50	20	DDGD	
Cc1ncc(/C=C/C(=O)NNC(=O)NCC(F)(F)F)s1	112404810	CVIUIQDTJMMYJI-NSCUHMNNSA-N	308.285	1.357	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1	25741393	VYSGBKAZBGGIAE-UHFFFAOYSA-N	323.714	1.106	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccc(Cl)cc2Cl)CCN1	178879968	YULQCRIJGXBDPM-SSDOTTSWSA-N	302.161	1.963	50	20	DDGD	
Cc1cc(C)cc([C@@H](C)NC(=O)NNC(=O)c2cnn(C)c2)c1	117966238	KIYLOFCWRGBGOZ-GFCCVEGCSA-N	315.377	1.742	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(c2ccc(F)cc2)CC1	178946612	QQCIODCWJFOHTN-OUKQBFOZSA-N	303.337	1.918	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CCC[C@@](C)(O)C2)cc(C#N)n1C	179853693	QZJRKZHKTAQOPG-OEXZBZRSSA-N	312.373	1.486	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1ccc(C(=O)OCC)o1	176854635	PLQTYVJTIKMKSI-ZRDIBKRKSA-N	320.345	1.906	50	20	DDGD	
CCCCCS(=O)(=O)CC(=O)NNc1ccc(Cl)nn1	118498809	QKMNMRZQEUAWQF-UHFFFAOYSA-N	320.802	1.178	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1nnc(-c2ccoc2C)o1	110103360	FYOWXQJYPRWDHZ-MRVPVSSYSA-N	324.362	1.676	50	20	DDGD	
C[C@@H]1[C@@H](C)[S@](=O)CCN1CCI	306187799	NYWOSCZTAWBXFF-DNSOKLHBSA-N	301.193	1.263	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1cc(F)c(F)cc1F	115719190	NJVNPCVCMZPLHI-QMMMGPOBSA-N	306.284	1.989	50	20	DDGD	
C[C@H]1CC[C@@H](CCC(=O)NNC(=O)c2ccc(Cl)nc2)O1	175496112	GWUOHCTWASICFK-ONGXEEELSA-N	311.769	1.844	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCCOC(C)C	67455971	BROPXGLYJARBSE-UHFFFAOYSA-N	309.366	1.454	50	20	DDGD	
O=C(NNC(=O)c1ccc2nccn2c1)c1ccc(Cl)nc1	68284483	PASCUNIANVHYAQ-UHFFFAOYSA-N	315.720	1.458	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2ccc(C)cc2C)n1	123216260	MKVCJISAANRUCX-UHFFFAOYSA-N	301.350	1.928	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)CCCCOC	123266943	NWOWQKFCERDIAT-UHFFFAOYSA-N	308.378	1.592	50	20	DDGD	
CN(C(=O)c1cccc(CCl)c1)[C@@H]1CCS(=O)(=O)C1	37391786	ITPASILCZJSTIN-GFCCVEGCSA-N	301.795	1.685	50	20	DDGD	
COCCOc1cccc(/C=C(\C#N)S(=O)(=O)NC2CC2)c1	188036839	ASQSJFRXZVGBAV-XNTDXEJSSA-N	322.386	1.658	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cccc3cn[nH]c23)cc1	129124419	KBAHKBSFYGUXFF-UHFFFAOYSA-N	305.297	1.509	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2ccoc2C)c1	78407394	LIKDOIQYURXALT-UHFFFAOYSA-N	303.318	1.470	50	20	DDGD	
CCO[C@@H]1CCCN(CC(=O)NNC(=O)c2cccs2)C1	76403058	XKKJUVWLHDTYIQ-LLVKDONJSA-N	311.407	1.010	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)NC1CCCCC1	73744088	KMRHXPBOSWNFRY-UHFFFAOYSA-N	305.378	1.988	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NNC(=O)Cc1ccncc1	127334246	MIWHBRAFGIKLNM-CHWSQXEVSA-N	315.398	1.945	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)c1ccc2nn[nH]c2c1	76464277	UFZOQMXRJHKMIT-UHFFFAOYSA-N	321.300	1.765	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(/C=C(/C#N)C(=O)NC2CC2)c1C	212878833	ZYUSILCEUNALHX-XFFZJAGNSA-N	301.346	1.994	50	20	DDGD	
O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)C1(O)CCC1	185430315	ZPMBDIJMLVFKQK-UHFFFAOYSA-N	320.317	1.041	50	20	DDGD	
CCN1CCN(CCCCNC(=O)NNc2ccccn2)CC1	79394382	IHVAXTGIFAKFAB-UHFFFAOYSA-N	320.441	1.125	50	20	DDGD	
CC(C)Cc1nnc(NC(=O)NNC(=O)c2ccc[nH]2)s1	182867398	TWIQDUXKTYOECR-UHFFFAOYSA-N	308.367	1.531	50	20	DDGD	
CN1CC[C@@H](NC(=O)NNc2c(F)cccc2Cl)C1=O	185431896	LJZBGCCJYZXAJA-SECBINFHSA-N	300.721	1.336	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(N(C)C)nc2ccccc12	182684814	XEKQNJHHVHYZLO-UHFFFAOYSA-N	302.334	1.692	50	20	DDGD	
CC[C@H]1CCCC[C@H]1OCC(=O)NNc1nccnc1OC	186449216	FFMTWGMEWOJMDB-NWDGAFQWSA-N	308.382	1.914	50	20	DDGD	
COCCN1C[C@H](C(=O)NNc2cccc(Cl)c2)CC1=O	45317934	RPYZDZTVVPHRJM-SNVBAGLBSA-N	311.769	1.278	50	20	DDGD	
COc1nccnc1NNC(=O)CCc1nc(C(C)C)no1	131932065	KTYDFSHIUCPTGT-UHFFFAOYSA-N	306.326	1.068	50	20	DDGD	
CCCCSCCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	131683902	IKCYJBOJCRLMMS-GFCCVEGCSA-N	322.496	1.402	50	20	DDGD	
Cc1cc(F)cc(NC(=O)C(=O)NNc2cc(C)nc(C)n2)c1	130441284	SDNVBSMZXFSEGD-UHFFFAOYSA-N	317.324	1.623	50	20	DDGD	
CC(C)(C)N1CCC(NC(=O)NNC(=O)c2ccc[nH]2)CC1	193848724	KCNSGNFBBPJGPL-UHFFFAOYSA-N	307.398	1.222	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)C(=O)c2c(C)nn(C)c2C)c1	192697141	WBHVINKJZDASEF-UHFFFAOYSA-N	300.362	1.980	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)C(C)(C)C)cc1OC	130782330	CHRDOHTYJIKWCG-VQHVLOKHSA-N	306.362	1.911	50	20	DDGD	
Cc1cc(/C=C(/C#N)S(=O)(=O)N(C)C)ccc1-n1cncn1	195319510	MQVPBRKDZHPJHX-QPEQYQDCSA-N	317.374	1.332	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@@H]1CCc2cn[nH]c2C1	80183671	VEEQZMVPHJEHSH-LLVKDONJSA-N	324.344	1.708	50	20	DDGD	
O=C(C[C@H]1CCCO1)NNC(=O)NCc1ccc(Cl)cc1	191615393	BOVMCDNSCSPMSO-GFCCVEGCSA-N	311.769	1.740	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)cn1	195225650	YLOKZCNGDCTNTO-QWHCGFSZSA-N	317.324	1.059	50	20	DDGD	
O=C(CSCC(F)(F)F)NNC(=O)Cc1ccccc1F	90405975	AFXDEAHBECSCGA-UHFFFAOYSA-N	324.299	1.811	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CCc2nccs2)n1	268568047	GOYXCBRDAIKLSR-UHFFFAOYSA-N	320.422	1.855	50	20	DDGD	
CN(NC(=O)NC[C@]1(N(C)C)CCSC1)c1ccccc1	267982700	WXONJMCZYCOIAU-OAHLLOKOSA-N	308.451	1.774	50	20	DDGD	
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1cnccn1	265202716	UGSYDQVLTFVKHC-LLVKDONJSA-N	309.370	1.469	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccc3c(c2)OCCO3)nn1	264402752	QWWIOYXQKBVURP-UHFFFAOYSA-N	315.333	1.383	50	20	DDGD	
CC(C)CC[C@@H](C)NC(=O)NNC(=O)C(=O)Nc1ccccn1	268318987	QSXYOJNMFVQNSU-LLVKDONJSA-N	321.381	1.175	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H](C)OC[C@H]2CCCO2)n1	267160299	KDUFKBGJDCAHCI-PSASIEDQSA-N	314.773	1.466	50	20	DDGD	
O=Cc1ccc(OCC(=O)NNC(=O)NC2CCCCC2)cc1	263869914	YAYFKEUZKVZORD-UHFFFAOYSA-N	319.361	1.541	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N(C)C)cc1OC1CCCC1	273034665	GYGVZSNZQMDSTO-UHFFFAOYSA-N	321.377	1.933	50	20	DDGD	
COCCCOCC(=O)NNc1nnc(-c2ccccn2)s1	276502810	VCAUKTQCJIVTGP-UHFFFAOYSA-N	323.378	1.096	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1cnn(-c2ccccc2F)c1	273441425	MZSXZTWGFJWPSV-UHFFFAOYSA-N	317.324	1.964	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CCO[C@@H](C)C2)c(C)c1	271815034	BQJXTDRBYGEQBA-UONOGXRCSA-N	319.405	1.678	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC[C@@H](CC(N)=O)C1	366461348	LJIBKHFLTSLNJR-WPRPVWTQSA-N	305.216	1.520	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)COc1ccc(F)cc1	279726904	VNCISWYFUBKBAO-WDEREUQCSA-N	322.336	1.357	50	20	DDGD	
C=C[C@@](C)(CC)C(=O)NNC(=O)CNC(=O)c1cccs1	276161182	QDNSJTJHUVIQSO-AWEZNQCLSA-N	309.391	1.228	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CC(C)C)ccc1C(=O)N(C)C	273470784	JQVAAYRXHBXDIN-UHFFFAOYSA-N	320.393	1.896	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)c(F)c1	274231059	QMRFHBPSEZHNAD-UHFFFAOYSA-N	311.313	1.629	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	374006463	SZKVDDLGZFWUHS-BGZDPUMWSA-N	323.340	1.024	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1	371359573	KLAFRRZVCLEBAL-ASNKMWSDSA-N	311.341	1.902	50	20	DDGD	
COCCN(C)NC(=O)CCC(=O)c1ccc2c(c1)CCC2	288419790	HCXMQYVXWBSAQV-UHFFFAOYSA-N	304.390	1.748	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@H]2COc3ccccc32)o1	289433097	RISBRFHTZZSVMB-NSHDSACASA-N	315.329	1.708	50	20	DDGD	
O=C1CSc2cc(C(=O)NNc3ncccn3)ccc2N1	370729214	HDFZFSVNVVHZTD-UHFFFAOYSA-N	301.331	1.278	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2	286350170	MLMPGZDGKUJNKF-ZETCQYMHSA-N	309.347	1.462	50	20	DDGD	
COCCOc1cccc(/C=C/C(=O)NN(C)C(=O)OC)c1	286178229	CHJDIVHCWHQSEK-BQYQJAHWSA-N	308.334	1.454	50	20	DDGD	
O=C(C[C@@H]1CCCC(=O)N1)NNc1nc(C(F)(F)F)cs1	289618118	LMLNZQHYKOYXSR-LURJTMIESA-N	322.312	1.664	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)CC(C)(C)O	281124268	GDXZFCQGIICNKK-SECBINFHSA-N	314.769	1.416	50	20	DDGD	
CC(C)[C@@]1(C)C[C@H]1C(=O)NNc1ccc(-n2ccnc2)nn1	286709343	RNOGIHOAEHOSOL-XHDPSFHLSA-N	300.366	1.788	50	20	DDGD	
C[C@H]1CC(=NNC(=O)[C@H]2CCS(=O)(=O)C2)c2ccccc21	807958996	LVHJUXALFSUILD-QWRGUYRKSA-N	306.387	1.449	50	20	DDGD	
C[C@@H](NC(=O)C1CCCC1)C(=O)NNc1cccc(Cl)n1	293669677	KEIHZMNCGJALJY-SECBINFHSA-N	310.785	1.873	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cnc(-c2ncccn2)s1	299558630	ROLXOKFIEFAVJT-UHFFFAOYSA-N	305.363	1.407	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)N=c2cc[nH]cc2)ccc1Cl	802026526	FOXDYWKEPJBVIK-UHFFFAOYSA-N	315.720	1.495	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NNC(=O)C(C)(C)C2CC2)c1	807116066	HWNPAIGDRGBKKE-UHFFFAOYSA-N	304.350	1.237	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)cc1F	802033222	OOYUZEGYYPOSKY-UHFFFAOYSA-N	317.324	1.175	50	20	DDGD	
CNC(=O)NCCC(=O)NNc1ccc(C(F)(F)F)cc1	293443688	RXNARJFEIURVLB-UHFFFAOYSA-N	304.272	1.468	50	20	DDGD	
COc1cccc(NCC(=O)NN=C(C)c2cn(C)c(C)n2)c1	800808867	SSAGGYJEHHJVDF-UHFFFAOYSA-N	315.377	1.689	50	20	DDGD	
O=C(NCC1CC(F)(F)C1)NNC(=O)c1ccccc1F	291836713	CEPYAEOZLZLWEW-UHFFFAOYSA-N	301.268	1.815	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc(Cl)c(C(N)=O)c1	298670454	RBWBUUOBSNKOPO-UHFFFAOYSA-N	312.757	1.638	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(OC(F)F)cc2)O1	294363121	VMIWAIYWKINJRT-KWQFWETISA-N	314.288	1.617	50	20	DDGD	
O=C(CCCNC(=O)c1ccsc1)NNc1cccc(F)n1	804768556	IPAANMPSWHKBLB-UHFFFAOYSA-N	322.365	1.936	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNC(=O)C2CCC2)ccc1F	806980304	TUAHKFUVOVWQME-UHFFFAOYSA-N	307.325	1.274	50	20	DDGD	
O=C(NCC1CC(F)(F)C1)NNc1ccc(-n2ccnc2)nn1	293375869	NSHCOQWOMHTJAL-UHFFFAOYSA-N	323.307	1.334	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C2(O)CCCCC2)cc1	292565760	FOSYSAALTRQSJC-UHFFFAOYSA-N	320.389	1.470	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1c[nH]c(C(=O)N2CCCC2)c1	804768161	QBUWMKUPOUPQPM-UHFFFAOYSA-N	317.324	1.542	50	20	DDGD	
CCc1nc(C)c(CNC(=O)NNc2ccc(OC)cn2)o1	294338796	TWERLQIWVGVBKW-UHFFFAOYSA-N	305.338	1.775	50	20	DDGD	
O=C(CN1CCc2ccccc21)NNC(=O)Nc1ccccc1	801988674	LLCFWQXUMWRDKL-UHFFFAOYSA-N	310.357	1.902	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)C(C1CCC1)C1CCC1	803394156	OHVIZIPUQCVSOO-UHFFFAOYSA-N	302.378	1.873	50	20	DDGD	
O=C(C[C@@H]1CCC(=O)N1)NNC(=O)C12CC3CC(CC(C3)C1)C2	816815875	GISGQAAAAUMTDA-RQYMUSGFSA-N	319.405	1.019	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@](C)(O)C2CCC2)cc1C	813365815	GKXCYIRNLSTAKW-QGZVFWFLSA-N	320.389	1.381	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@@H](C)[C@@H]1OCCc2sccc21	813867241	OQWZEPAYRFFGRB-CABZTGNLSA-N	311.407	1.737	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@H]1CCCSC1	810194457	WLCSHPOLBUEBFL-LBPRGKRZSA-N	308.403	1.528	50	20	DDGD	
CC(C)N(C)c1ccc(C=NNC(=O)Cc2cc[nH]n2)cn1	814954976	RXLZYHVNHAXVPP-UHFFFAOYSA-N	300.366	1.342	50	20	DDGD	
CC(C)(C)n1cnc(C(=O)NNC(=O)c2ccc(Cl)cc2)n1	812449962	VXMJTVBFYQFKFU-UHFFFAOYSA-N	321.768	1.761	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1cccc(OCCCC(=O)O)c1	814908437	BUPGGGVZBKUYJD-UHFFFAOYSA-N	322.361	1.541	50	20	DDGD	
COCCN1[C@H]2CC[C@H]1CC(=NNC(=O)c1ccncc1)C2	814682893	UKSTZRZYOQLNGV-GJZGRUSLSA-N	302.378	1.441	50	20	DDGD	
CO[C@@H](CC(C)C)CS(=O)(=O)NNC(=O)CC(C)(C)C	817352535	WCHVHZTVKFMUNK-NSHDSACASA-N	308.444	1.434	50	20	DDGD	
CC(C)(C)c1ccc(OCC(=O)NN=C2COCCOC2)cc1	814704393	MDBSYGWUNDPVGA-UHFFFAOYSA-N	320.389	1.882	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCO[C@@H](C(F)(F)F)C1	814865541	SWOAXLXSAGSNRH-PSASIEDQSA-N	312.288	1.251	50	20	DDGD	
O=C(Cn1cc(C2CC2)nn1)NNC(=O)Nc1ccccc1	1340042532	FEHYPPHAKKEPPE-UHFFFAOYSA-N	300.322	1.008	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)NCCS(C)(=O)=O	812932747	DYQJMLGBAPBTSG-UHFFFAOYSA-N	313.423	1.789	50	20	DDGD	
Cc1nnc(CCNC(=O)NNc2cccc(C#N)c2)s1	812485288	FUQQMBIWYWMCFB-UHFFFAOYSA-N	302.363	1.587	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H]1CCCN(c2ccccc2)C1=O	814365146	ACKJOWWSDIOPCL-CYBMUJFWSA-N	303.362	1.233	50	20	DDGD	
COC(=O)C1(C)CN(C(=O)c2c(C)nn(CCCl)c2C)C1	819757091	FTUNVENLVDYJFS-UHFFFAOYSA-N	313.785	1.374	50	20	DDGD	
Cc1ccc([C@@H]2C[C@H]2NC(=O)NNC(=O)Cc2cccnc2)cc1	825906639	HEGDAGFBKSZXNA-JKSUJKDBSA-N	324.384	1.819	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H]1CCc2cncn2C1	825223265	ZZGGDBNJHDXXOB-JTQLQIEISA-N	317.301	1.968	50	20	DDGD	
CC(=O)Nc1ccccc1CNC(=O)NNC(=O)OC(C)(C)C	491799057	WHMQDJULODVAPH-UHFFFAOYSA-N	322.365	1.884	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@@H]3CSCC(=O)N3)nc12	828554779	NEIPZWMNFNYDIE-QMMMGPOBSA-N	322.415	1.279	50	20	DDGD	
CCCOCC(=O)NNC(=S)Nc1ccc(OC)c(F)c1	822644632	GNQNNNFVMGAMTF-UHFFFAOYSA-N	315.370	1.579	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cnc(-c2ccccc2Cl)nc1	823913654	ZAWLQZTZXCWBRK-JTQLQIEISA-N	320.780	1.754	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)Cc1ccccc1OC1CCCC1	823917255	GJIDZSGPUUKMNB-CYBMUJFWSA-N	306.406	1.894	50	20	DDGD	
OB(O)c1cccc(CNC[C@H](c2ccccc2)C(F)(F)F)c1	585036237	GAHQUAOPGMDNEB-OAHLLOKOSA-N	323.123	1.802	50	20	DDGD	
CC(C)(CN1CCOCC1)C(=O)NNc1cccnc1Cl	823558879	PFBVMZVKHQHEMQ-UHFFFAOYSA-N	312.801	1.537	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C	823842807	ZJQFVPPVQLEQFZ-UHFFFAOYSA-N	317.393	1.113	50	20	DDGD	
COCCN(C)NC(=O)CCC(=O)Nc1c(F)cccc1F	822843195	JESOOUORRVNPFL-UHFFFAOYSA-N	315.320	1.293	50	20	DDGD	
CN(C)Cc1ccc(NCc2cccc(B(O)O)c2)cc1F	585016692	WBDNQSYANGSIKD-UHFFFAOYSA-N	302.158	1.179	50	20	DDGD	
CC[C@H](C)C=NNC(=O)COc1ccccc1-c1nn[nH]n1	825060354	PKIVJTLPSFJZRQ-JTQLQIEISA-N	302.338	1.394	50	20	DDGD	
CCN(CC)C(=O)CN(C)C(=O)[C@]1(C)C[C@@H]1Br	905348929	GJASQMFKWITSJT-JOYOIKCWSA-N	305.216	1.487	50	20	DDGD	
CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)/C(C#N)=C\c1cnn(C)c1	491127410	BBSMNFTXSIBYSU-SADRXWBLSA-N	316.361	1.175	50	20	DDGD	
COC1(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)CCCCC1	826645244	UAPDAWOQCWHKCG-RYUDHWBXSA-N	313.398	1.091	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCN2C(=O)CC[C@H]2C1	490881011	WOQLRNINVHPSCG-GLNPCMGASA-N	313.332	1.566	50	20	DDGD	
CC(C)OCCCNC(=O)/C(C#N)=C\c1ccc(C(=O)O)[nH]1	827026957	AVXKDIVWVNIHPT-FLIBITNWSA-N	305.334	1.551	50	20	DDGD	
CCOC(=O)[C@H]1CCCN(CC(=O)NNc2cccc(F)c2)C1	901162332	ISGDRCFRAMLPQB-LBPRGKRZSA-N	323.368	1.544	50	20	DDGD	
CC(C)C[C@@H](NC(=O)O)C(=O)NN=c1cc[nH]c2ccccc12	736417915	XWRUVLJINGPEJA-CQSZACIVSA-N	316.361	1.782	50	20	DDGD	
COc1cccc(OC)c1/C=C(/C#N)C(=O)Nc1ccn(C)n1	490811723	HEZWSNFZHXVLDO-LUAWRHEFSA-N	312.329	1.983	50	20	DDGD	
OB(O)c1ccccc1CNC1CCN(Cc2ccccc2)CC1	585014707	ZJGRJAVBNIHHBX-UHFFFAOYSA-N	324.233	1.121	50	20	DDGD	
O=C(NNC(=O)[C@@]1(c2ccccc2)CCCO1)[C@@H]1CCCCO1	820941696	ANVVUYPQYNVWEW-YOEHRIQHSA-N	318.373	1.409	50	20	DDGD	
C[C@@]1(C(=O)NCCCC(=O)NC2CC2)C[C@@H]1Br	906230473	ZEUMUQPDNZQTBG-JOYOIKCWSA-N	303.200	1.335	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CCCn1ccnc1	731491428	JNUYRBGCRMUHIU-UHFFFAOYSA-N	302.334	1.133	50	20	DDGD	
COC(=O)NNC(=O)c1cnc(-c2ccc(OC)cc2)s1	496105062	KIRHPHQNRZGXRO-UHFFFAOYSA-N	307.331	1.820	50	20	DDGD	
Cc1ccc2c(c1)C(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)CC2	730946678	IHHVQQWHQSTLLX-GFCCVEGCSA-N	321.402	1.132	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1cc2c(F)cccc2s1	730091688	UFANMAPFIKRJCS-UHFFFAOYSA-N	318.333	1.767	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)c1ccc2ccccc2n1)C(C)C	490960618	BWKGDTMBCGXGJU-ZDUSSCGKSA-N	310.357	1.837	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NCCOCC2CC2)cc1	836288920	BUBOBYPOMNULCN-UHFFFAOYSA-N	322.365	1.458	50	20	DDGD	
CCc1cccc(NC(=S)NNC(=O)c2cnn(C)c2)c1	735416624	DOOHCALLHUHBEO-UHFFFAOYSA-N	303.391	1.614	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc(C(F)F)cc1	901964862	RZGPWJVVAUWBMX-UHFFFAOYSA-N	316.329	1.737	50	20	DDGD	
Cc1nc(CC(=O)NNc2ccccc2OC(F)(F)F)n[nH]1	832517494	LYWGSQLLNHDGIW-UHFFFAOYSA-N	315.255	1.698	50	20	DDGD	
COc1ncc(C(=O)NNc2ccc(Br)nc2)cn1	734016281	OIRSOALDJGAMFW-UHFFFAOYSA-N	324.138	1.400	50	20	DDGD	
CO[C@H](C=NNC(=O)c1cccc(C#N)c1)C1CCOCC1	834955938	KBGQXCQISOCHOU-OAHLLOKOSA-N	301.346	1.715	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)[C@@H]1CCCCO1)CCO2	834987755	BCJCRJSSRHFXIN-HNNXBMFYSA-N	304.346	1.867	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1NC(=O)NNC(=O)COc1ccc(F)cc1	838761506	SAHAZCUZKKSXPW-QWHCGFSZSA-N	309.341	1.579	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(C(=O)O)cn1	737905703	PPCFCMMVLOBJOT-UHFFFAOYSA-N	318.241	1.916	50	20	DDGD	
C[C@@H](Cc1ccccc1)NC(=S)NNC(=O)C1CCOCC1	905570388	XXWXZRDAORXBJQ-LBPRGKRZSA-N	321.446	1.540	50	20	DDGD	
C[C@H]1CCC(C)(C)N1CC(=O)NNC(=O)c1ccc(F)cc1	839613353	DEFVVYIGHCVHFM-NSHDSACASA-N	307.369	1.850	50	20	DDGD	
C[C@H](CNCc1cccc(B(O)O)c1)COCc1ccccc1	585018395	KOFCHOVORQEVFM-OAHLLOKOSA-N	313.206	1.309	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1CC(c2ccccc2C)=NO1	907252522	IAXQSOYJAVLUPD-ZDUSSCGKSA-N	304.350	1.181	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@H]1C1CCCCC1	584932389	SOKJARSINSEQMZ-INIZCTEOSA-N	319.185	1.690	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NCC[C@H](C)OC)cc1	836281976	BNXXCQXZTLRNNZ-JTQLQIEISA-N	310.354	1.456	50	20	DDGD	
O=C(N[C@@H]1CCCc2sccc21)c1cccc(B(O)O)c1	584974569	IOOYLJVWJZWLDM-CYBMUJFWSA-N	301.176	1.235	50	20	DDGD	
C[C@@H](CC(C)(C)C)NC(=O)NNC(=O)CNC(=O)c1ccco1	836269114	REQLMLGZMFUQPB-JTQLQIEISA-N	324.381	1.165	50	20	DDGD	
CC[C@H]1CN(CC(=O)NNC(=O)c2ccc(C)cc2)C[C@@H](C)O1	732207892	BERSPMATGBYBSF-HIFRSBDPSA-N	319.405	1.255	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1	838651083	RPIGUJRFDQQOSA-YRGRVCCFSA-N	317.455	1.194	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc2[nH]ccc2c1	831400478	HGDJAUQALUZYDI-BXKDBHETSA-N	302.334	1.746	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2C[C@@H](C)S[C@H](C)C2)cc1	744413498	ORTPJAVGXIDKDH-CHWSQXEVSA-N	321.446	1.582	50	20	DDGD	
O=C(CCN1CCOCC1)NNc1ccc(OC(F)F)cc1	748649031	BDTDLHAKUFZBGE-UHFFFAOYSA-N	315.320	1.453	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CCCCC2	845917758	FKNOTBXCEMRYPD-UHFFFAOYSA-N	303.362	1.451	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1cn(C)c(=O)nc1O	915838746	BDQYVXMLFQOBDR-UHFFFAOYSA-N	319.273	1.230	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1ccc(OCCN)cc1	841322333	KVKYEWKGFQDBOQ-UHFFFAOYSA-N	308.382	1.613	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2ccc([N+](=O)[O-])o2)cc1	916296865	PTKQLLXVPJDFCO-UHFFFAOYSA-N	319.273	1.726	50	20	DDGD	
CC1CCN(C[C@H](C)C(=O)NN=C2CCN(C)[C@@H](C)C2)CC1	741453963	COYVGCJROQKZPD-GJZGRUSLSA-N	308.470	1.941	50	20	DDGD	
C[C@@]1(C(=O)NNc2cc(O)nc3ncccc23)CCCOC1	913991318	PIDYETYBJVMTKK-OAHLLOKOSA-N	302.334	1.595	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NN=C1CCCn2ccnc21	848401001	QUJKXHZAHIRHDQ-UHFFFAOYSA-N	308.345	1.547	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2ccc(C(F)(F)F)cc2)CN1	747605220	SXCBACZVZUFDHR-MRVPVSSYSA-N	301.268	1.675	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(-c2cnn(C)c2)ccc1F	910151871	KJEFJPZCTFKYMG-JTQLQIEISA-N	306.341	1.184	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)C(C)C)nn1-c1ccccc1F	741662452	POILTZWBCMZFQY-UHFFFAOYSA-N	319.340	1.386	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@H]2CC[C@H](CN)C2)c(F)c1	842009994	GVIUROWYSSFBHX-ONGXEEELSA-N	324.356	1.366	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H](C)C(F)(F)F	742476553	ANOFNMMCWCYMFB-SFYZADRCSA-N	322.258	1.939	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1c(F)cc(F)cc1F	843651430	MSDZPECYFPPEDA-POYBYMJQSA-N	302.252	1.290	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)COCc2ccccc2)[C@H](C)[C@H]1C	841582968	VXXNCFNZOYSVFZ-HZSPNIEDSA-N	319.405	1.920	50	20	DDGD	
Cc1cc(C)c(C=NNC(=O)Cc2cc(O)nc(O)n2)cc1C	743445756	FPCQVVKRPJGOCJ-UHFFFAOYSA-N	314.345	1.506	50	20	DDGD	
O=C(NNc1ncncc1F)[C@H](C[C@@H]1CCCO1)C(F)(F)F	846212930	ABBJIIAATOBZEI-YUMQZZPRSA-N	322.262	1.806	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(C(C)(F)F)cc1	843663435	YPSCHGHMVQFVAM-JOYOIKCWSA-N	312.316	1.984	50	20	DDGD	
CC(C)O[C@@H]1CCCN(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)C1	846719438	XQQYFAXYOHVEJU-XQQFMLRXSA-N	313.398	1.042	50	20	DDGD	
CCOCCCNC(=S)NNC(=O)c1cccc(Cl)n1	849298511	HEMVVHDEPCHINC-UHFFFAOYSA-N	316.814	1.271	50	20	DDGD	
CC(F)(F)C(=O)NNC(=O)CSc1ccccc1[N+](=O)[O-]	844131257	PTEJLFKXTPIRHU-UHFFFAOYSA-N	319.289	1.490	50	20	DDGD	
Cn1cc([C@@H]2C[C@H]2C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)cn1	842250825	LSZDLHGHKLTDKT-WDEREUQCSA-N	319.296	1.714	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)C1(Cc2ccccc2)CCOCC1	910149696	KWKIXPHHIYAQTF-CQSZACIVSA-N	306.406	1.370	50	20	DDGD	
CN(CC(=O)NNC(=O)C(C)(C)C)Cc1ccccc1[N+](=O)[O-]	744387391	RCARVHBLRIVYII-UHFFFAOYSA-N	322.365	1.220	50	20	DDGD	
CC[C@H](C#N)C(=O)NNc1c(OC)cccc1S(C)(=O)=O	845949753	PWKKJEMVQPCVFM-SECBINFHSA-N	311.363	1.092	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1ccc(-n2cncn2)c(F)c1	842553884	GKLLDIOQRSDTBH-ZYHUDNBSSA-N	317.324	1.282	50	20	DDGD	
CC(C)(C)OC(=O)[C@@]1(C(=O)NNc2nc[nH]n2)CC=CCC1	846652655	GJLPGDPXXAOSMM-AWEZNQCLSA-N	307.354	1.316	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H](CCCN)c1ccccc1	841998119	RDHCEUXZWODSSR-CQSZACIVSA-N	306.410	1.843	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNc1nc2ccccc2n1C	848381952	ZCHJOYOOQQTKGK-UHFFFAOYSA-N	303.366	1.179	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2cccc3c2OCCC3)CC1	845912682	RETFJQXNKLCPRV-UHFFFAOYSA-N	304.371	1.856	50	20	DDGD	
CCC(=NNC(=O)N1CCOCC1)c1ccc2c(c1)CCO2	745591612	CNMSIFNJKCURRY-UHFFFAOYSA-N	303.362	1.777	50	20	DDGD	
Cc1ccc(NCCNS(=O)(=O)CBr)nc1	921875596	XHVAQOMCXZLJOL-UHFFFAOYSA-N	308.201	1.074	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)CSc2ccc(C)cc2)nn1	929311270	OJUHXHNXIDIHRH-UHFFFAOYSA-N	319.390	1.160	50	20	DDGD	
CCC/C(C)=C/C(=O)NNC(=O)COc1ccc(C#N)cc1	920285827	VWZVERUQZOASDI-FMIVXFBMSA-N	301.346	1.831	50	20	DDGD	
COC1(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)CCCC1	753514409	PNRCRYQNUZJRRE-LLVKDONJSA-N	314.382	1.071	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)N[C@@H]1CCc2c[nH]nc2C1	758906803	WTJRQKFEXKZVKI-SNVBAGLBSA-N	316.321	1.502	50	20	DDGD	
C[C@H](CO[C@H]1CCOC1)NC(=O)NNc1ccc(F)c(F)c1	921387267	FAEUUTDCCXSJBA-KOLCDFICSA-N	315.320	1.785	50	20	DDGD	
Nc1nc(C2CC2)ncc1C(=O)NNC(=O)NC1CCCCC1	854192549	PAUNLVDWCVZEAT-UHFFFAOYSA-N	318.381	1.213	50	20	DDGD	
COc1cccc(NNC(=O)Cc2ccc(O)c(OC)c2)n1	857483124	QTUBXTIJOHQICC-UHFFFAOYSA-N	303.318	1.490	50	20	DDGD	
COC(=O)N(C)NC(=O)CCOc1ccc(Cl)c(F)c1	854409848	MMWWFHCVUKHKPV-UHFFFAOYSA-N	304.705	1.977	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cnc3n2CCC3)c1C	855623985	WLPVZVFKZRRCOM-UHFFFAOYSA-N	314.345	1.681	50	20	DDGD	
COC(=O)N(C)NC(=O)CCC(=O)c1c(F)cccc1F	854410348	YNDRSUOKDRTRGZ-UHFFFAOYSA-N	300.261	1.657	50	20	DDGD	
O=C(NNC(=O)c1cccc(OC(F)F)c1)Nc1cccnn1	757661896	USOWJZPASNZLKL-UHFFFAOYSA-N	323.259	1.545	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2cc(N(C)C)ccn2)o1	924656314	HLLINIRAJUMFSU-UHFFFAOYSA-N	317.349	1.193	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NN=Cc1ccoc1	853375822	AAPFKLKQTWQJDN-TZMCWYRMSA-N	302.334	1.631	50	20	DDGD	
Cn1c(C(=O)OC[C@H](CBr)C2CC2)cccc1=O	859609501	ARBBABPRMIGKAD-JTQLQIEISA-N	314.179	1.963	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)C1CC1)c1cc(C)ccc1C	859936027	GKAQKDCVKUCYIE-HNNXBMFYSA-N	303.406	1.902	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C[C@@H]1C(=O)Nc2c(F)cccc21	929794115	XUQSFGNZLLJLGI-JTQLQIEISA-N	307.325	1.445	50	20	DDGD	
O=C(NN=C1CCCc2ccccc21)N[C@@H]1CCS(=O)(=O)C1	920380232	IFKBUOCNGBQSAP-GFCCVEGCSA-N	321.402	1.213	50	20	DDGD	
C[C@@H]1CCCc2ncc(C(=O)NNC(=S)NCC3CCC3)n21	855092812	QORLWDKIQGRCPE-SNVBAGLBSA-N	321.450	1.689	50	20	DDGD	
Cc1ccc(NNC(=O)NCCCc2cnn(C)n2)cc1F	854093278	UXJQGSNMFJVSLS-UHFFFAOYSA-N	306.345	1.522	50	20	DDGD	
O=C(NN=C[C@H]1CCOc2ccccc21)C(=O)Nc1ccccn1	758380651	JYLSWEOZUIBLBT-GFCCVEGCSA-N	324.340	1.688	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)Nc1cccnn1	757661199	OPTQQDMYBZEIGT-UHFFFAOYSA-N	310.317	1.353	50	20	DDGD	
COc1ccc(C#N)cc1NC(=O)NNC(=O)c1ccccn1	756275029	XJPNVSGAVDCLLG-UHFFFAOYSA-N	311.301	1.428	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cc(O)nc(C2CC2)c1)C1CC1	855099851	PDQVYSFEYMRLJO-MRVPVSSYSA-N	320.418	1.572	50	20	DDGD	
Cc1ccc(C[C@H](C)NC(=O)NNC(=O)c2cn[nH]c2)c(C)c1	858207116	OGLCMDUISPCFLA-LBPRGKRZSA-N	315.377	1.602	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNC(=S)N[C@H](C)C1CC1	855098815	MRLZMIOFPSNRCX-SECBINFHSA-N	315.439	1.260	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)N[C@H](C)C2CC2)c(O)c1	855102759	NCGWPJBHEYKYEB-MRVPVSSYSA-N	309.391	1.308	50	20	DDGD	
COc1cc(C)cnc1C(=O)NNc1cc(Cl)nc(C)n1	754247720	TYCWKQNUIPWWSZ-UHFFFAOYSA-N	307.741	1.907	50	20	DDGD	
CC1(C)[C@@H](O)C[C@H]1NC(=O)NC[C@@]1(C)C[C@H]1Br	856951531	ACGDCPCXLILOBD-KZFFXBSXSA-N	305.216	1.619	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C(C)(C)CSC	854285210	JBMRMCGYTJLQGT-UHFFFAOYSA-N	307.485	1.250	50	20	DDGD	
Cc1ncsc1C=NNC(=O)CCCNC(=O)C(C)(C)C	853408932	CDFGYAJRUPFAJX-UHFFFAOYSA-N	310.423	1.844	50	20	DDGD	
COC(=O)C1CCC(=NNC(=O)[C@H](C)CN2CCCCC2)CC1	754919377	XVGSDSOEDRNXQT-KWCCSABGSA-N	323.437	1.944	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N(C)Cc2nnc(C)o2)c1	858707255	NZZDSYRPDOHTNW-UHFFFAOYSA-N	309.351	1.234	50	20	DDGD	
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)C1CCOCC1	755891491	HGTICABWLDXLER-UHFFFAOYSA-N	307.306	1.833	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NN=Cc2cnc3ncccn23)c1	755505360	DROYOVZHMUNCHZ-UHFFFAOYSA-N	323.356	1.875	50	20	DDGD	
CCO[C@@H](C)C(=O)NNC(=S)NCCc1cccs1	753077324	JIAMUHPSFCNGQS-VIFPVBQESA-N	301.437	1.211	50	20	DDGD	
CC(C)c1cccc(NC(=S)NNC(=O)[C@H]2CCC(=O)N2)c1	863203100	ALHCWTMKHZRSRY-GFCCVEGCSA-N	320.418	1.406	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNCC(F)(F)C(F)(F)F	863100136	SVMLHZHOMFZKRK-LURJTMIESA-N	306.231	1.394	50	20	DDGD	
O=C(CN(Cc1ccoc1)C1CC1)NNC(=O)c1ccccc1	934004496	MYZKAPOPWNMZFI-UHFFFAOYSA-N	313.357	1.705	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)CCc2cn[nH]c2)cc1	863852362	AKVGLPGMEXRUSH-UHFFFAOYSA-N	318.402	1.590	50	20	DDGD	
O=C(C[C@@H]1COC(=O)C1)NNc1ncccc1C(F)(F)F	768142957	OAHMOYDDUKWWMN-ZETCQYMHSA-N	303.240	1.497	50	20	DDGD	
CC(C)n1ccc(CC(=O)NNCC(F)(F)C(F)(F)F)n1	863095050	DSWPOPICNIOFQE-UHFFFAOYSA-N	314.258	1.825	50	20	DDGD	
Cc1ccc(F)cc1NC(=O)C(=O)NNC(=O)CC(F)(F)F	764114383	AGMIRGQVVZVUCS-UHFFFAOYSA-N	321.230	1.172	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CCc2c(C)nn(C)c2C)c1	862475653	RZYDUDLCQPUORW-UHFFFAOYSA-N	320.418	1.801	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(F)c(Cl)c1F	761071172	BAEOUYBBEUIMDT-UHFFFAOYSA-N	314.679	1.725	50	20	DDGD	
Cc1cc(=NNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc[nH]1	862514823	YGQDYKQTVSEQRE-INIZCTEOSA-N	318.377	1.517	50	20	DDGD	
CCC(=NNC(=O)c1cn[nH]c1)c1ccc(OC)c(OC)c1	863156233	REPWIIFBWGEMHT-UHFFFAOYSA-N	302.334	1.971	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCC2(O)CCC2)c1F	868782168	OCDCVEAJOZGBFH-UHFFFAOYSA-N	310.325	1.751	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2cc(C#N)cc(Cl)n2)c[nH]1	768707195	KMEGAJZWGUEMFU-UHFFFAOYSA-N	303.709	1.360	50	20	DDGD	
C[C@@H](NNC(=O)CNC(=O)CCC1CCCC1)C(F)(F)F	862311382	DRTRCNWJJZYSDA-SECBINFHSA-N	309.332	1.645	50	20	DDGD	
Cc1nc([C@@H]2CCOC2)sc1C(=O)NNC(=O)c1ccc[nH]1	864589028	ZHVLKOKTIYELTB-SECBINFHSA-N	320.374	1.358	50	20	DDGD	
CCCCNC(=O)NNC(=O)C(=O)c1ccc(Cl)s1	760165749	KOBQGQBTVODUDK-UHFFFAOYSA-N	303.771	1.715	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1csc(C(F)(F)F)c1	863106703	MLNWUQYIVWVVHG-UHFFFAOYSA-N	309.269	1.573	50	20	DDGD	
C[C@H](NNC(=O)C[C@@H](n1cccn1)C(F)(F)F)C(F)(F)F	862322755	PFMPGJQBBLGIPV-NKWVEPMBSA-N	318.221	1.948	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](C)Cc1ccc(F)cc1	764461247	VTKRUCQCQNVXCP-JTQLQIEISA-N	304.325	1.946	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)[nH]1	768259931	BQKHSXSPIKFOOE-UHFFFAOYSA-N	316.346	1.245	50	20	DDGD	
C[C@H]1C[C@@H]1c1ccc(CCC(=O)NNC(=O)c2cn[nH]c2)o1	862473737	ZVQPYMUVJBIBOG-CABZTGNLSA-N	302.334	1.520	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1ccc(O)c(F)c1	768275527	MOEKLDRWSGFFEP-UHFFFAOYSA-N	324.333	1.692	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2ccccc2F)o1	1116319550	TUWJQQNZJJIDIH-UHFFFAOYSA-N	306.249	1.280	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@H]1C=NNC(=O)c1cc(C)[nH]n1	872358504	VCYASKYKWDQKDD-WCQYABFASA-N	316.365	1.428	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNC(=S)Nc1cccc(C)c1	873775909	CEIHJLYGWDJGRS-GFCCVEGCSA-N	308.407	1.227	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H](N2)[C@@H]1C	877182530	NCAHPMNCXNBAFK-VKKKGTNTSA-N	324.856	1.998	50	20	DDGD	
Cc1cccc(NNC(=O)c2ccoc2C2(O)CCOCC2)n1	1118884394	HDNBWMJPVOOFCR-UHFFFAOYSA-N	317.345	1.738	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cccc(CS(C)(=O)=O)c1	770338695	HXDKDULGIJLFKW-UHFFFAOYSA-N	313.379	1.040	50	20	DDGD	
C[C@]1(CNC(=O)NC2CC(C(=O)O)C2)C[C@H]1Br	874408027	MAQIIRAXVRVOTQ-MNMOATOFSA-N	305.172	1.322	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc2c(cc1F)NC(=O)CC2	879301432	OMZDPQFLRFEIBQ-UHFFFAOYSA-N	310.329	1.325	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@@H](c2ccccc2)N(C)C)cc[nH]1	874989477	NZIKNCCVUGWFEM-INIZCTEOSA-N	313.405	1.741	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=C1CCc2cccc(C(=O)O)c21	872384322	PAQDIQCYBNMCSZ-GXSJLCMTSA-N	302.330	1.576	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)Cc2ccccc2CO)c1	779828686	NILNGQOXHGEZNX-UHFFFAOYSA-N	316.748	1.785	50	20	DDGD	
C[C@]1(CNCc2ccc(S(N)(=O)=O)o2)C[C@H]1Br	877648178	XBSLBXXIKPMLTB-PSASIEDQSA-N	323.212	1.190	50	20	DDGD	
CS(=O)(=O)c1ccc(C(=O)NNc2cc(Cl)ccn2)o1	778447748	FZBBONMVCAJHPR-UHFFFAOYSA-N	315.738	1.488	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)c1cccc(OC)c1	772040682	DBRZRBQYICGCDL-GHMZBOCLSA-N	322.361	1.288	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc2nnnn2c1	777478908	MOGVVWLQRLJAKA-UHFFFAOYSA-N	319.328	1.738	50	20	DDGD	
C[C@@]1(Cn2nnnc2N2CCC(F)CC2)C[C@@H]1Br	1120227347	VJMQMVKIDKTHOE-ONGXEEELSA-N	318.194	1.785	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@@H](C)c1c(C)n[nH]c1C	772214075	WQAXSLBRRJCXLO-LDYMZIIASA-N	324.381	1.009	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(F)cc1Cl)[C@@H](C)S(C)(=O)=O	885137046	MODDRMGAGBSSCY-HTQZYQBOSA-N	322.789	1.991	50	20	DDGD	
CN(C)CCc1ccc(CNS(=O)(=O)CCCCl)cc1	882112354	VOLZPIVNZUHJJM-UHFFFAOYSA-N	318.870	1.839	50	20	DDGD	
COc1ccc(NNC(=O)Nc2ccc(C(N)=O)cc2)nc1	780664987	IJEJVVOETMCMHF-UHFFFAOYSA-N	301.306	1.338	50	20	DDGD	
CC(=O)Nc1ccc(CNC(=O)NNc2cccc(C#N)c2)cn1	789298940	JYMGKBNDNHPPSF-UHFFFAOYSA-N	324.344	1.738	50	20	DDGD	
CC(C)c1ccccc1OCC(=O)NNC(=O)c1cccnn1	882062218	FDPQWNIYRIFCON-UHFFFAOYSA-N	314.345	1.440	50	20	DDGD	
CN(C(=O)NC[C@]1(C)C[C@H]1Br)[C@@H]1CCC[C@H]1O	889410951	IVABQENSQTXTSJ-BFLSOPEQSA-N	305.216	1.715	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2ccc(C#N)cn2)CCO[C@H]1C1CC1	888819704	FEXLWVBDINLDHK-HOCLYGCPSA-N	315.377	1.785	50	20	DDGD	
O=C(NNC(=O)[C@H]1Cc2ccccc2S1)C1CCOCC1	883060638	RZPYBRFSVHHUGU-CYBMUJFWSA-N	306.387	1.277	50	20	DDGD	
C[C@@H](C(=O)N1CC=C(C#N)CC1)S(=O)(=O)c1ccc(F)cc1	780689629	JCRMLBNFIZJRLN-NSHDSACASA-N	322.361	1.670	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ccc(C#N)cn1)N1CCCC1=O	899663424	FBAXQHMQSGLBQA-CQSZACIVSA-N	301.350	1.043	50	20	DDGD	
CN(C)C(=O)c1cccc(/C=C(/C#N)S(=O)(=O)N(C)C)c1	899372803	WSHUSHNFPCDIIX-LCYFTJDESA-N	307.375	1.144	50	20	DDGD	
COc1cc(C(=O)NN=C(C)[C@@H]2CCCO2)cc(OC)c1OC	783779245	WBARDVFVPCDLDR-LBPRGKRZSA-N	322.361	1.997	50	20	DDGD	
Cc1csc2nc(COC(=O)/C(C#N)=C/C3CC3)cc(=O)n12	786681481	WXYLSTPOIBCIBB-NYYWCZLTSA-N	315.354	1.968	50	20	DDGD	
CN(N=Cc1cccc(I)c1)C(N)=O	789033293	GPBLPJMCISEGPF-UHFFFAOYSA-N	303.103	1.636	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H](CC(=O)NNC(=O)C1CC1)C1CC1	784985115	GWNYDUJYHXKBKM-LLVKDONJSA-N	311.382	1.237	50	20	DDGD	
CCCCS[C@@H](C)C(=O)O[C@@H](C)C(=O)NNC(=O)CC	785737109	BIQUWPVYZLCGJP-UWVGGRQHSA-N	304.412	1.397	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1ccccc1O	894369504	IBWOIVDYHBNOJN-BBRMVZONSA-N	318.373	1.453	50	20	DDGD	
CCOc1nccc(C)c1C(=O)NNC(=S)NC(C)(C)C	899996308	RMPKNAWTFYFOTJ-UHFFFAOYSA-N	310.423	1.696	50	20	DDGD	
C[C@@H]1CCCN1CCNC(=O)NNC(=O)c1ccccc1F	897474516	USTYHYUREXIFFV-LLVKDONJSA-N	308.357	1.254	50	20	DDGD	
CC(C)n1ccc(NC(=O)C(=O)NNc2ccccc2F)n1	797005249	IUPIYWRXFJDLMF-UHFFFAOYSA-N	305.313	1.685	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)c2ccc(Cl)nc2)cn1	795300149	IZPXGGRRSKYKKP-UHFFFAOYSA-N	305.725	1.247	50	20	DDGD	
O=S(=O)(CCl)NC[C@H]1CCCN1Cc1ccccc1	390529107	KRZXFVGPVRAYRI-CYBMUJFWSA-N	302.827	1.767	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2ccc([N+](=O)[O-])cc2)n1	794072722	OSMAYOQKTOECHT-UHFFFAOYSA-N	314.301	1.302	50	20	DDGD	
C=C(CBr)COC(=O)CCn1cnccc1=O	796311295	MGKWZMTWOQWQGW-UHFFFAOYSA-N	301.140	1.128	50	20	DDGD	
O=C(NCCF)NNC(=O)c1cccc(Br)c1	798067111	BIYFJSSNARTUQT-UHFFFAOYSA-N	304.119	1.363	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cccc(O)c1O	790915820	NKLTTXMYJOJAQQ-UHFFFAOYSA-N	302.286	1.641	50	20	DDGD	
Cc1c(NNC(=O)c2cc(CN(C)C)on2)cccc1[N+](=O)[O-]	1319988492	GMNQSEAVACNHSM-UHFFFAOYSA-N	319.321	1.710	50	20	DDGD	
C[C@@H]1CCC[C@@H](OCC(=O)NNc2nncc(N)c2Cl)C1	1319777386	QWOQCUZAMQPZQA-RKDXNWHRSA-N	313.789	1.751	50	20	DDGD	
COC(=O)Nc1ccccc1C(=O)NNC(=S)NC(C)C	1318500262	VUTWBQOOXDQAAP-UHFFFAOYSA-N	310.379	1.382	50	20	DDGD	
Nc1cnnc(NNC(=O)c2c[nH]c3ncccc23)c1Cl	1319302524	GQAIXWVJQOSMSX-UHFFFAOYSA-N	303.713	1.345	50	20	DDGD	
O=C(NNc1cncc(Br)c1)c1cnns1	1319528866	KLZVHSRRHBDAQR-UHFFFAOYSA-N	300.141	1.453	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1ccc(CC#N)cc1	1319036729	AJDWQBNHMOLZRG-UHFFFAOYSA-N	310.379	1.045	50	20	DDGD	
C=C[C@](C)(CCOC)C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1320877653	OAXGOUXPLAIGJS-MRXNPFEDSA-N	320.393	1.278	50	20	DDGD	
Cn1ccc(NNC(=O)CCCNC(=O)c2ccsc2)n1	1320978366	IZDYJQDFMFRCKK-UHFFFAOYSA-N	307.379	1.135	50	20	DDGD	
CN[C@H](C)CCNC(=O)NNC(=O)COc1ccc(C)c(C)c1	1326133241	OSIIFVHUKISCPA-CYBMUJFWSA-N	322.409	1.011	50	20	DDGD	
CCOC(=O)c1ncc(C(=O)NNC(=O)CC(C)(C)C)s1	1323155957	MLSMRZBHHJHXGL-UHFFFAOYSA-N	313.379	1.517	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc2c(nc1O)CCC(C)(C)C2	1334628935	VRTLWNUSTBORNM-UHFFFAOYSA-N	307.350	1.693	50	20	DDGD	
CNC(=O)Cc1ccccc1NC(=O)NNc1ncccc1F	1342124140	UABAXGYWQXYQAQ-UHFFFAOYSA-N	317.324	1.658	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1348568223	MYUIPQFYINCCGN-GFCCVEGCSA-N	308.382	1.111	50	20	DDGD	
C[C@@H](CNC(=O)C1CCC(Cl)CC1)N1CCN(C)CC1	1519437682	UEUWKQGSQQDOMG-HSBZDZAISA-N	301.862	1.536	50	20	DDGD	
CN1CC[C@H](C(=O)OC[C@]2(C)C[C@H]2Br)CC1=O	1526044087	GJYOGDFGWWNWBC-SBMIAAHKSA-N	304.184	1.572	50	20	DDGD	
CN(NC(=O)c1csc(-c2nn[nH]n2)c1)c1ccccn1	1604826884	MSMQWEJCWMNNHJ-UHFFFAOYSA-N	301.335	1.104	50	20	DDGD	
Cc1c(NNC(=O)NCCCc2nc[nH]n2)cccc1C(=O)O	1600053780	TUPQIZLZKUQZSA-UHFFFAOYSA-N	318.337	1.070	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cccc(C(=O)O)c2C)n[nH]1	1600095829	SLGLYGVGWZGRMI-UHFFFAOYSA-N	317.305	1.191	50	20	DDGD	
Cn1ncc2c1C[C@H](C(=O)NNc1ccccc1C(=O)O)CC2	1601031366	ZSYMEGMJUCAJAU-SNVBAGLBSA-N	314.345	1.367	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)CCOC[C@H]2CCCO2)cc1	1602127563	RVGDVAHHRYJXGN-CQSZACIVSA-N	322.361	1.343	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNc2ccc(CC(=O)O)cc2)C1	1605652010	IMGAIEPBHWLYCK-BETUJISGSA-N	307.350	1.507	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNc1ncccc1C(=O)O	1602847510	OOKIPXOEAWNVKD-UHFFFAOYSA-N	322.365	1.165	50	20	DDGD	
Cc1c(NNC(=O)c2cncc3nc[nH]c23)cccc1C(=O)O	1600054627	ADTQGXDUYMPWKH-UHFFFAOYSA-N	311.301	1.721	50	20	DDGD	
CC(C)OC(=O)NNC(=O)Nc1nc(CCC(=O)O)cs1	1603907138	CSEJUMZMNBVBDL-UHFFFAOYSA-N	316.339	1.331	50	20	DDGD	
CCO[C@H](C(=O)NNc1ncccc1C(=O)O)C1CCOCC1	1603824009	SWXVNXFDJVWWQO-LBPRGKRZSA-N	323.349	1.055	50	20	DDGD	
Cc1cc(NC(=O)NNc2ccc(C(=O)O)c(F)c2)n(C)n1	1607690333	FQIJNFDBBOEONY-UHFFFAOYSA-N	307.285	1.714	50	20	DDGD	
CCC1(CC)C(=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)C[C@@H]1OC	1549318167	OFCYNOSFYZHJJG-YDHLFZDLSA-N	323.437	1.547	50	20	DDGD	
CCC1(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)CCOCC1	1549321400	SIBOVGMGHJFLIT-KBPBESRZSA-N	309.410	1.158	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@@H]3C[C@H](C)CN3C2)cc1	1548616094	UHLZIVHOPVKPRT-NUEKZKHPSA-N	315.417	1.876	50	20	DDGD	
CC[C@@H]1NCC[C@@H]1C(=O)NNc1ccc(C(=O)OC)cc1F	1577308025	JTTWBCZSDJRKGK-JQWIXIFHSA-N	309.341	1.444	50	20	DDGD	
CC(C)(C)c1csc(C(=O)NNC(=O)[C@@H]2CCCNC2)n1	1575282275	NNHYOMSCSZOZNI-SECBINFHSA-N	310.423	1.201	50	20	DDGD	
C=C(CC)C(=O)NNC(=S)Nc1cccc(-c2cnn[nH]2)c1	1575054133	QBSNSLPUULSWSL-UHFFFAOYSA-N	316.390	1.756	50	20	DDGD	
CC(C)[C@@H](C(=O)N(C)NC(=O)OCc1ccccc1)[C@H](C)N	1575402889	WHZHTFSNLTYINN-GXTWGEPZSA-N	307.394	1.906	50	20	DDGD	
C[C@@H]1C[C@H](N)CN1S(=O)(=O)c1ccc(CCCl)cc1	1576612337	RMJYAIBOFWIJIG-PWSUYJOCSA-N	302.827	1.578	50	20	DDGD	
C[C@@H](N)c1ccc(C(=O)NNC(=O)NCc2ccccc2)cc1	1576164094	GGSBAIXMIIAVFP-GFCCVEGCSA-N	312.373	1.851	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@@H]2F)C1	1841791122	HHKAAXIUVQDUEF-WOPDTQHZSA-N	316.804	1.955	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1-c1nn[nH]n1)C(C)C	1588775865	METQVHUMUPPTGP-UHFFFAOYSA-N	302.338	1.394	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H](C)S)C1	1846369880	IPHYOSBXWQMZGL-UWVGGRQHSA-N	304.843	1.526	50	20	DDGD	
CN(C)N(C(=O)Cc1ccoc1)c1nc(CC(=O)O)cs1	1598257760	SARQOZXTBWCKHC-UHFFFAOYSA-N	309.347	1.416	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNc2ccc(C(=O)O)cc2F)C1	1594695392	JTCLHRYITFOJFZ-JTQLQIEISA-N	323.324	1.226	50	20	DDGD	
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ccccc1C(=O)O	1596677922	QRRYMBAIVQQXGO-VHSXEESVSA-N	306.318	1.417	50	20	DDGD	
CNc1ccc(C(=O)NNc2ccc(C(=O)O)c(F)c2)cn1	1598678920	VNNHTKAMMAIFRO-UHFFFAOYSA-N	304.281	1.718	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)C1(CC(=O)O)CCC1	1594417915	UYCIZETVJVHVFR-UHFFFAOYSA-N	304.346	1.330	50	20	DDGD	
C[C@H](CCN(C)C)NC(=O)NNc1cccc(C(=O)O)c1F	1592513386	GEXUYANMUCHCMW-SECBINFHSA-N	312.345	1.490	50	20	DDGD	
O=C(NN=CCC[C@H]1CCOC1)c1ccc(-c2nn[nH]n2)cc1	1593155546	OXMANVJZUDEYJO-NSHDSACASA-N	314.349	1.399	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cccc(C(=O)O)c1OC(C)C	1594712501	PEBGORIXUDIUCM-UHFFFAOYSA-N	309.322	1.735	50	20	DDGD	
O=C(CSC(F)F)NNc1cccc(-c2nn[nH]n2)c1	1592902674	XMJWGFPCJCMIEE-UHFFFAOYSA-N	300.294	1.266	50	20	DDGD	
COc1cc(NC(=O)NN(C)C2CC2)c(F)cc1-c1nn[nH]n1	1591544885	GFCLNNXCCSJVKY-UHFFFAOYSA-N	321.316	1.145	50	20	DDGD	
COC(=O)C1=CC[C@@H](NC(=O)NNc2cccc(C(=O)O)c2)C1	1598728993	HFRXCSHJEHTUMZ-LLVKDONJSA-N	319.317	1.273	50	20	DDGD	
N#Cc1ccc(NNC(=O)Nc2cccc(CC(=O)O)c2)nc1	1594624025	OAWSFGPXDIXZIL-UHFFFAOYSA-N	311.301	1.729	50	20	DDGD	
C[C@@H]1C(=NNC(=O)COc2ccccc2-c2nn[nH]n2)C[C@H]1C	1590181241	NCJIZKRMHUXAHW-ZJUUUORDSA-N	314.349	1.394	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccnc(F)c2)cc1-c1nn[nH]n1	1592127993	FBSBYQAWPNYIBB-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
CCc1[nH]c(C(=O)NNc2ccc(F)cn2)c(C)c1C(=O)O	1597384863	KVMZGRSTYNCUSN-UHFFFAOYSA-N	306.297	1.875	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=Cc1ccc(C(=O)O)cc1Cl	1776102499	REBHCYQWIRBLKE-ZYHUDNBSSA-N	310.737	1.913	50	20	DDGD	
CC(CC1(C(=O)O)CCC1)=NNC(=O)[C@H]1CCN1C(C)(C)C	1776098441	LGINSTXYGGNTPO-GFCCVEGCSA-N	309.410	1.996	50	20	DDGD	
O=C(COC(=O)c1ccoc1)NNC(=O)c1ccc(Cl)cc1	16157316	LYTWYCATKZZVKK-UHFFFAOYSA-N	322.704	1.551	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1	150825727	ZETSBMZSHAWNFP-UHFFFAOYSA-N	320.280	1.347	50	20	DDGD	
Cc1ccc(F)c(OCC(=O)NNC(=O)NCC(F)(F)F)c1	162847818	CNWWXSXTFQMWGI-UHFFFAOYSA-N	323.246	1.406	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1cccc(Br)c1	155383706	VTQOFGJABWFANC-UHFFFAOYSA-N	315.171	1.163	50	20	DDGD	
COc1ccc(NNC(=O)NCc2csc(N(C)C)n2)nc1	157481411	IHZDBUKTQCUDLS-UHFFFAOYSA-N	322.394	1.439	50	20	DDGD	
C[C@H](Cc1ccccc1F)C(=O)NNC(=O)c1cccnc1	154692235	RVNJOBRMIPDLIS-LLVKDONJSA-N	301.321	1.861	50	20	DDGD	
CCCC(=O)N1CSC[C@@H]1C(=O)NNc1cccc(F)c1	154701526	DLFZQTVWQADBQI-GFCCVEGCSA-N	311.382	1.970	50	20	DDGD	
CC(C)CNC(=S)NNC(=O)c1cc(Cl)ccc1O	6827088	UPIZQPHCXQLLNJ-UHFFFAOYSA-N	301.799	1.811	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NNc1cccc(C(F)(F)F)c1	103276459	CFGKUMPDJOGIQD-VHSXEESVSA-N	302.252	1.958	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cccc(CC#N)c1	55355501	VOPHGUPOVJNSFQ-UHFFFAOYSA-N	323.352	1.765	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)C1(c2ccc(Cl)cc2)CC1	106452446	LDCQCFPEGQKPAC-UHFFFAOYSA-N	318.764	1.485	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)NCc1ccco1)N1CCCCC1	104328509	BOLLJIDNHULIDO-CQSZACIVSA-N	322.409	1.621	50	20	DDGD	
Cc1ccc(N2CCC(C(=O)NNc3cnccn3)CC2)nc1	172266145	BWPPJXOBCYFIEL-UHFFFAOYSA-N	312.377	1.540	50	20	DDGD	
O=C(CN1CCC(OC2CCCCC2)CC1)NNC(=O)C1CC1	112978163	NSRLSZQBJDUJIH-UHFFFAOYSA-N	323.437	1.358	50	20	DDGD	
O=C(CCC(F)(F)F)NNc1nccc(N2CCOCC2)n1	177661016	CTLLXOCHQFENTE-UHFFFAOYSA-N	319.287	1.099	50	20	DDGD	
CC(C)c1c(C(=O)NNc2cnccn2)cnn1-c1ccccn1	114878157	TUMRWCNCMBYJQR-UHFFFAOYSA-N	323.360	1.938	50	20	DDGD	
CC(C)Cc1nc(C(=O)NNC(=O)c2cccnc2)cs1	63635989	NGSPAAUZIPBBMZ-UHFFFAOYSA-N	304.375	1.811	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccc(O)c([N+](=O)[O-])c1	119315579	AFMFLWITXIQVON-UHFFFAOYSA-N	318.245	1.966	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1	110761658	OUFWKQAZLVASCC-VXGBXAGGSA-N	302.309	1.422	50	20	DDGD	
COCC[C@H](C)NC(=O)NNC(=O)CCCc1ccccc1	69308856	VTYFDAFJDVBKTG-ZDUSSCGKSA-N	307.394	1.765	50	20	DDGD	
CCN1CCC[C@@H]1CNC(=O)NNC(=O)c1cccc(Cl)c1	175383236	NXBGCWHXZVWPMH-CYBMUJFWSA-N	324.812	1.768	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)[C@H]2CCOC2)cc1OC	66897271	LSCKAIWQKLYCJD-LBPRGKRZSA-N	322.361	1.282	50	20	DDGD	
Cc1ccccc1-n1cc(C(=O)NNC(=O)NC(C)C)cn1	69698178	SFVKENVBGWPPGB-UHFFFAOYSA-N	301.350	1.533	50	20	DDGD	
CC(=O)Nc1ccc(F)c(C(=O)NNc2ccc(Cl)nn2)c1	118499015	AHDHOXPNWZKVPD-UHFFFAOYSA-N	323.715	1.984	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F	116181042	OTVQRPZVMGHDHT-UWVGGRQHSA-N	309.316	1.809	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NCCCn1ccnc1	64886787	QDUWQTWEVZFWKB-UHFFFAOYSA-N	315.377	1.155	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)c1cnn(C)c1)c1ccc(F)cc1	172081030	JANHGQZDXBNKJN-JXMROGBWSA-N	302.309	1.424	50	20	DDGD	
O=C(CCCOc1ccccc1)NNC(=O)NCc1ccco1	65177685	PEJGEPJECJENSS-UHFFFAOYSA-N	317.345	1.969	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CCCN(CC(F)(F)F)C2)ncn1	172271661	AYDYEWFABUOHHC-JTQLQIEISA-N	317.315	1.502	50	20	DDGD	
CCc1ccc([C@H](COC)NC(=O)NNc2cccnn2)o1	173521083	IKDGJZZPZGPZCV-NSHDSACASA-N	305.338	1.646	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccon2)cc1	67285615	VQXRUQNYUZMPFJ-SNVBAGLBSA-N	319.317	1.302	50	20	DDGD	
NC(=O)c1ccc(OCC(=O)NNc2ccc(F)cc2)cc1	64290008	SSSBXAZLCTWXKE-UHFFFAOYSA-N	303.293	1.447	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1ccc2c(c1)CCO2	65176247	SIEIQUNOIWXQTA-UHFFFAOYSA-N	301.302	1.359	50	20	DDGD	
CCSCC[C@@H](C)NC(=O)NNC(=O)Cc1cccnc1	176394118	ZUNUEKIAHRTHIW-LLVKDONJSA-N	310.423	1.486	50	20	DDGD	
CC(=O)NNC(=O)c1cccc(OCc2ccccc2C#N)c1	67464215	SRSSYOLXVBNFIW-UHFFFAOYSA-N	309.325	1.918	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cccc(C(=O)N(C)C)c2)n1	171273921	RFKQBCBUFDARMY-UHFFFAOYSA-N	313.361	1.552	50	20	DDGD	
O=C(C[C@H]1CCS(=O)(=O)C1)NNc1c(F)cccc1Cl	184655527	XHIOSZWKNNGBNN-MRVPVSSYSA-N	320.773	1.747	50	20	DDGD	
C[C@H](CCC(=O)NNc1ccc(C(N)=O)nn1)c1ccccc1	124090842	KGOFKEBWVZAYSI-LLVKDONJSA-N	313.361	1.603	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CCC(=O)NNc1ccnc(F)c1	182469042	OFFMMWRVVILOQR-UHFFFAOYSA-N	308.273	1.167	50	20	DDGD	
C[C@@H](Cc1ccc(Br)cc1)C(=O)NN(C)C(N)=O	182659824	YNWWQJOKDRKODL-QMMMGPOBSA-N	314.183	1.669	50	20	DDGD	
Cc1ccc(NNC(=O)NCC[C@@H](C)N2CCCCC2)nn1	182710007	GYKITMUXOYPXOP-CYBMUJFWSA-N	306.414	1.676	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)CCc2ccc3[nH]ccc3c2)nn1	182568094	BWVYKFBOFREDMY-UHFFFAOYSA-N	324.344	1.133	50	20	DDGD	
C[C@H](OCC1CC1)C(=O)NNC(=O)COCc1ccccc1	78192204	QUSYMWSAOIXVIR-LBPRGKRZSA-N	306.362	1.166	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc(OC)c(F)c1C	181130712	LQMFMQURXJBJEH-QMMMGPOBSA-N	318.370	1.498	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)C1(CC)CCCCC1	184178046	MPHBMIZLRJSGPK-UHFFFAOYSA-N	311.426	1.799	50	20	DDGD	
C[C@H](Oc1ccccc1C(F)(F)F)C(=O)NN(C)C(N)=O	181088389	RKMPIWGSYQNUKM-ZETCQYMHSA-N	305.256	1.514	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC2CCCC2)cc1C	31025416	DZJIHMMKJAWYOQ-UHFFFAOYSA-N	305.378	1.955	50	20	DDGD	
CCOC(=O)NCC(=O)NNc1ncc(Cl)cc1Cl	186307502	CERRWSCILWYNJI-UHFFFAOYSA-N	307.137	1.578	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CN(C)C)oc2ccc(Cl)cc12	75652952	WGDAFZCXPOLDIS-UHFFFAOYSA-N	309.753	1.717	50	20	DDGD	
C=CCN(CC=C)[C@@H](CNC(=O)NNc1ncccn1)C(C)C	46905649	NFQWMRKVOXWXHW-AWEZNQCLSA-N	318.425	1.801	50	20	DDGD	
O=C(NNc1ccc(Br)c(F)c1)[C@H]1COCCO1	184278171	FYYVZZVPKRVBLC-SNVBAGLBSA-N	319.130	1.447	50	20	DDGD	
O=C(NNC(=O)C1(c2cccc(F)c2)CCC1)N1CCOCC1	194898332	NPXSHLXYLDNEFB-UHFFFAOYSA-N	321.352	1.320	50	20	DDGD	
O=C(Cc1ccccc1)NNC(=O)NCCc1cccs1	193203176	OKGCBOKOWSPORW-UHFFFAOYSA-N	303.387	1.864	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C(C)(C)c1ccccc1)n1cccn1	264639717	NXBKGJCHZIGXNC-GFCCVEGCSA-N	300.362	1.569	50	20	DDGD	
CN1C[C@H]2CN(C(=O)[C@@H](Br)C(C)(C)C)C[C@H]2C1	365926872	GGRZCDWTDIYZFJ-OUAUKWLOSA-N	303.244	1.816	50	20	DDGD	
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)/C(C#N)=C\c1ccc(O)cc1	278851216	AUHAXASSWOQWIZ-FNMYDLTQSA-N	311.385	1.898	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@H]2[C@@H](N)CC[C@H]2C1	273408487	METQMSCTQMPLJS-XQQFMLRXSA-N	310.829	1.548	50	20	DDGD	
Cc1cc(C(=O)NNc2nnc(-c3ccccn3)s2)co1	365289569	KSJJHHTXVAPFHX-UHFFFAOYSA-N	301.331	2.258	50	20	DDGD	
CCOC(=O)CC(=O)NNC(=O)NCc1ccc(Cl)cc1	276168395	ISRSVJGHQTWQQH-UHFFFAOYSA-N	313.741	1.124	50	20	DDGD	
CCC(O)(CC)CCNC(=O)NNC(=O)c1ccc(C)s1	276259728	LPHIBLOEUUMLMW-UHFFFAOYSA-N	313.423	1.942	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCc1nc2c(s1)CCCC2	270884580	WQHHKWRZMXQEHK-UHFFFAOYSA-N	324.450	1.941	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCc1ccc(C(N)=O)o1	272625829	SIIVOIHSASHDSB-SECBINFHSA-N	317.183	1.804	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)NNc1cnccn1	277003540	DEVZGYBSIUQFMV-NXEZZACHSA-N	309.370	1.469	50	20	DDGD	
CN1C(=O)COc2ccc(NC(=O)NNC(=O)C(C)(C)C)cc21	271403023	MUUKJZCNXNSFTH-UHFFFAOYSA-N	320.349	1.241	50	20	DDGD	
CC[C@H]1C[C@H](CC(=O)NNc2ncnc3nc[nH]c23)CCO1	272809639	CDWBOTBKZPHVFF-ZJUUUORDSA-N	304.354	1.391	50	20	DDGD	
C[C@](O)(CCNS(=O)(=O)CBr)c1ccccc1	275163407	JJBRZAPOFPITOE-NSHDSACASA-N	322.224	1.556	50	20	DDGD	
COCCCOc1ccc(C(=O)NNc2ncccc2F)cn1	286042022	QXRQUSNORLGNDG-UHFFFAOYSA-N	320.324	1.788	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)c2ccccc21	285148178	YOHRMNWDTHAYCD-NSHDSACASA-N	324.402	1.141	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H]2CCc3cnn(C)c3C2)c1	282635450	GNJZDBNCHKNNBK-JTQLQIEISA-N	318.352	1.816	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2cc(C(C)C)on2)n1	281058236	BNOTVBSMYYKUKX-UHFFFAOYSA-N	303.322	1.968	50	20	DDGD	
CCN1CCN(C(=O)c2c(C)nn(CCCl)c2C)[C@H](C)C1	288572456	UQHNJZSEIIJHDR-LLVKDONJSA-N	312.845	1.905	50	20	DDGD	
C[C@](O)(CCc1ccccc1)C(=O)NNC(=O)NC1CCCC1	283341596	PCBVHZJCXGUWRO-KRWDZBQOSA-N	319.405	1.643	50	20	DDGD	
COC(=O)[C@H]1CC[C@H](C(=O)NNC(=O)c2ccc(C)o2)CC1	280662674	PENAWMHGUSVWLU-XYPYZODXSA-N	308.334	1.328	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc(Cl)c(F)c1	295322718	GQZHSQYGKIHLOY-LLVKDONJSA-N	300.717	1.809	50	20	DDGD	
O=C(NCCC(=O)N1CCCCC1)NNc1cccc(F)n1	804923701	YDPRFHBWPVTMOI-UHFFFAOYSA-N	309.345	1.249	50	20	DDGD	
N#Cc1cc(F)ccc1NC(=O)C(=O)NNc1cccc(F)n1	807392105	RXCLSGUFUXRAST-UHFFFAOYSA-N	317.255	1.313	50	20	DDGD	
C[C@@H]1C[C@@H](c2cccnc2)N(CC(=O)NNC(=O)C(C)(C)C)C1	805750309	ZHJNLVPZYWSIJI-OCCSQVGLSA-N	318.421	1.658	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)CNC(=O)CC(C)(C)C)c1	293975386	RCIDPAWRQNNDPF-UHFFFAOYSA-N	320.393	1.641	50	20	DDGD	
CO[C@H](CNC(=O)NNc1ncnc2ccsc12)C1CC1	297071864	YTRDVSXVKGHRJF-SNVBAGLBSA-N	307.379	1.742	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)[C@H](F)C(F)(F)F	290151738	VVACVJYHOQZDHF-JTQLQIEISA-N	308.231	1.251	50	20	DDGD	
CCCc1nnc(NC(=O)NNC(=O)[C@@H]2CCCCO2)s1	296485166	XBWYXNOSORAVAF-QMMMGPOBSA-N	313.383	1.212	50	20	DDGD	
Cn1ncc2c1CCC[C@@H]2NC(=O)NNc1cncc(Cl)n1	298686411	NDFUHKRYFWWAKN-VIFPVBQESA-N	321.772	1.567	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CCNC(=O)Cc1ccccc1	808244897	CHSIRENFFHWTQJ-UHFFFAOYSA-N	317.216	1.998	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@H](c1cccs1)N(C)C	298630857	BJGUDKMBEMSNGV-LLVKDONJSA-N	312.439	1.727	50	20	DDGD	
CC[C@@H](C)CONC(=O)NNC(=O)Cc1ccccc1OC	291791558	OWSWYCRCOSBGPF-LLVKDONJSA-N	309.366	1.546	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CC(C)(C)Cc2nc(N)sc21	814778234	WIMMZORAOFTPCH-UHFFFAOYSA-N	323.422	1.043	50	20	DDGD	
CSCCCC=NNC(=O)c1nn(C)c(=O)c2ccccc12	814740157	IVSWOYIOTKYYRP-UHFFFAOYSA-N	318.402	1.792	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1ccc(C(=O)N(C)C)cc1	814954723	KSQSDWHIRBBLHG-UHFFFAOYSA-N	313.361	1.194	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)c1cccc(CO)c1	813449163	VMBHCVMBLBYZCV-UHFFFAOYSA-N	310.313	1.986	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNC(=O)c1ccc(Cl)nc1	810155540	XZFOJWPARUKWQH-UHFFFAOYSA-N	313.744	1.720	50	20	DDGD	
CCC1(CC)C(=O)NCCC1=NNC(=O)Cc1cccnc1	819807222	BWMZINCQMSSLPO-UHFFFAOYSA-N	302.378	1.423	50	20	DDGD	
O=C(NNc1ncccn1)C1CCC(OC[C@H]2CCCO2)CC1	814926898	OWKILBVSHSSIKB-JXQTWKCFSA-N	320.393	1.674	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cc(Cl)ccc1O	726874456	UTUDJJXDGNOBGB-UHFFFAOYSA-N	311.647	1.552	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(C)cnc1Br	813004394	WSPOXBDIVUIZJF-UHFFFAOYSA-N	301.144	1.715	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@@H](CC(C)C)C(=O)O)n1	818623653	LOEWBPJYECVVJN-LLVKDONJSA-N	309.370	1.466	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2COc3ccccc3O2)cc1	729272994	ASZRPKSSSCEZNL-HNNXBMFYSA-N	300.314	1.978	50	20	DDGD	
CC[C@@H]1[C@@H](C(=O)NNC(=O)OC)CCN1C(=O)OC(C)(C)C	496599106	GRJBUYCFFZQFMA-VHSXEESVSA-N	315.370	1.409	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CSCc1ccc(Cl)cc1	823988082	PHKVMGYOIDGWDR-SNVBAGLBSA-N	302.827	1.917	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1c[nH]nc1-c1ccccn1	495849420	JOLZITBLHLLLRK-UHFFFAOYSA-N	303.322	1.641	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)COc1ccc(Br)cc1	823993815	WODBGZRSWLBFIB-VIFPVBQESA-N	317.183	1.172	50	20	DDGD	
COc1ccccc1-c1nn(C)cc1C(=O)NN(C)[C@H](C)CO	823951433	KLQZBJMCZDCCJT-LLVKDONJSA-N	318.377	1.053	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H](C)CCc1cccn1C	826088159	LJLBZPHWPDXQMS-MBNYWOFBSA-N	322.409	1.102	50	20	DDGD	
CCN(CCO)NC(=O)c1cnc(Cc2ccccc2F)s1	823874274	PPZVBAICXJSCTP-UHFFFAOYSA-N	323.393	1.832	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CCC(C)(C)[N+](=O)[O-]	827840112	GZKMTGFDUHSXJX-UHFFFAOYSA-N	309.322	1.752	50	20	DDGD	
CCOCc1ccc(CNCc2ccc(B(O)O)cc2F)cc1	585018492	WIGGARBTPOPHPE-UHFFFAOYSA-N	317.169	1.332	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cccc2c1CCOC2)C1CC1	824445915	CYGKWHOSJMCGHE-SNVBAGLBSA-N	319.430	1.667	50	20	DDGD	
C[C@@H](C(=O)NN(C)[C@H](C)CO)N(C(=O)OC(C)(C)C)C1CC1	823917022	CYUXSYMEMCUPCS-MNOVXSKESA-N	315.414	1.118	50	20	DDGD	
CC[C@H](CNCc1ccc(B(O)O)o1)Oc1ccccc1C	585026185	JTPLZMBBKOFSGV-CYBMUJFWSA-N	303.167	1.215	50	20	DDGD	
CN(CCCC=NNC(=O)c1ncccn1)C(=O)OC(C)(C)C	496574899	XJNAKGDYTMADID-UHFFFAOYSA-N	321.381	1.839	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1CCCc2sccc21	826923968	YQQSLHIBXMHMRZ-HOSYDEDBSA-N	323.418	1.881	50	20	DDGD	
CCOc1ncc(C(=O)NNC(=O)c2ccccn2)cc1Cl	732749842	HKJQTQLWJWDXBV-UHFFFAOYSA-N	320.736	1.604	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCOc2ccc(F)cc21	731558826	JYINZPBAKQBWML-UHFFFAOYSA-N	305.309	1.051	50	20	DDGD	
CCOCC(=O)NN=Cc1ccc(OC(F)F)c(OC)c1	731154436	LOUJVGUZNVESND-UHFFFAOYSA-N	302.277	1.783	50	20	DDGD	
N#C/C(=C/c1ccc(F)c(S(N)(=O)=O)c1)C(=O)N1CCCC1	491176453	PPXASALIFSFPEP-XFFZJAGNSA-N	323.349	1.002	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1	823939151	GNLCOYIJIACCSN-HQJQHLMTSA-N	307.177	1.371	50	20	DDGD	
COCCOc1cccc(C=NNC(=O)c2cnn(C)c2)c1	735413205	HUMNEHWFTLUBHC-UHFFFAOYSA-N	302.334	1.209	50	20	DDGD	
COCc1nc(C(=O)NNC(=O)OC)c(-c2ccccc2)s1	495961911	UDKJELIDGQUOTE-UHFFFAOYSA-N	321.358	1.957	50	20	DDGD	
C[C@@H](c1ccccc1)N1CC[C@@H](NCc2cccc(B(O)O)c2)C1	585021569	BIQWTTMOPLNZCG-HNAYVOBHSA-N	324.233	1.292	50	20	DDGD	
CCN(C)C[C@@H]1CCN(C(=O)[C@@]2(C)C[C@H]2Br)C1	906848338	WHVUHNLXKCHDIE-LOWVWBTDSA-N	303.244	1.960	50	20	DDGD	
Cc1nc[nH]c1C=NNC(=O)CCCNC(=O)OC(C)(C)C	495604550	PJTDKYUTQNIZBU-UHFFFAOYSA-N	309.370	1.473	50	20	DDGD	
C[C@H](CNCc1ccccc1B(O)O)Sc1ccccc1	585026273	FQGDLMBIOPOVGD-CYBMUJFWSA-N	301.220	1.637	50	20	DDGD	
Cc1cnc(Cl)c(C(=O)NNC(=O)NCC(F)(F)F)c1	907967121	JGEKHZNTPQOVDI-UHFFFAOYSA-N	310.663	1.550	50	20	DDGD	
CCC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1cnn(C)c1	736304790	QDUFXAJYTSOIGH-UHFFFAOYSA-N	324.348	1.144	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1cnn(C(C)C)c1	494725527	IXHPIFSBTQNVCI-UHFFFAOYSA-N	323.397	1.829	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cccc(Oc2cnccn2)c1	736544334	YTYIFRKONRIMDE-UHFFFAOYSA-N	300.318	1.686	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1cnc(Cl)c(C)c1	901967319	ZUXHLZVXLKHNPW-UHFFFAOYSA-N	315.782	1.156	50	20	DDGD	
COCCc1ccc(OCCCC(=O)NN(C)C(=O)OC)cc1	497020406	VEQQCHOHZJKEJF-UHFFFAOYSA-N	324.377	1.764	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@H]3C[C@@H]3C(=O)O)cc2C1	736804701	HEIVVZFDERGPDS-JEZHCXPESA-N	322.386	1.355	50	20	DDGD	
COCCN(CC(=O)O)C(=O)[C@H](Br)C(C)(C)C	836713264	IIPLYNWVWXOSTO-VIFPVBQESA-N	310.188	1.356	50	20	DDGD	
C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1	585009365	XUBQHQZSJFAPOQ-IAQYHMDHSA-N	305.158	1.370	50	20	DDGD	
N#CC1(C(=O)NNC(=O)c2cc(Cl)ccc2O)CCOCC1	736667907	YHQPAHNKWSNAIE-UHFFFAOYSA-N	323.736	1.127	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNc2nnc(-c3ccccn3)s2)CCN1C	830177216	UKZDGQPAEVOCIB-NXEZZACHSA-N	318.406	1.383	50	20	DDGD	
CO[C@@H](C(=O)NNc1cccc(Br)n1)C(C)C	837211924	MIFNFYJXEPOVIW-SNVBAGLBSA-N	302.172	1.958	50	20	DDGD	
COc1ccc(C#N)cc1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	831388384	CTOIODJCPBGBLX-ONGXEEELSA-N	318.333	1.145	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)[nH]1	731865235	LOAWBVMKFMKQFN-UHFFFAOYSA-N	310.317	1.183	50	20	DDGD	
C[C@@H]1C[C@H](NCc2ccc(B(O)O)cc2)CN1Cc1ccccc1	585028436	KFCFTRHJKBXERL-BEFAXECRSA-N	324.233	1.119	50	20	DDGD	
CCOCC(=O)NN=C(C)c1cccc(OCC(=O)N(C)C)c1	731154036	QBCLCVWNIKVTHL-UHFFFAOYSA-N	321.377	1.030	50	20	DDGD	
CCOCCOCCCC(=O)NNc1nc2ccccn2n1	834351517	MJOFLUBYFLAHHP-UHFFFAOYSA-N	307.354	1.006	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(C)CCC(=O)O)cc1	737886700	FARRMGDHEGRZHR-JLHYYAGUSA-N	302.330	1.925	50	20	DDGD	
O=C(NCCCc1ccc(O)cc1)NNC(=O)c1ccccc1	735761589	VCSPBJKJHUHANX-UHFFFAOYSA-N	313.357	1.969	50	20	DDGD	
CCOCc1cccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	831412011	KFKNWFLFAIHTBA-FZMZJTMJSA-N	321.377	1.801	50	20	DDGD	
C=C[C@@H]1OCCC[C@H]1NC(=O)NNc1nc2ccccn2n1	838680818	NREIIQJPBSEGSQ-MNOVXSKESA-N	302.338	1.089	50	20	DDGD	
CC/C=C\CNC(=O)NNC(=O)c1cc(OC)cc(OC)c1	836574451	YZEIIKYGLJEQJE-WAYWQWQTSA-N	307.350	1.614	50	20	DDGD	
CN(C(=O)c1ccc(B(O)O)cc1)[C@@H]1CCCc2ccccc21	584927251	PAZYRXIWRWAKAM-QGZVFWFLSA-N	309.174	1.516	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)C(F)(F)F	584981584	FBOASGYLCCBASS-CPCISQLKSA-N	321.079	1.212	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc2c(c1)CCC2	831077367	KKKPUIQQSGYRBB-YGRLFVJLSA-N	303.362	1.753	50	20	DDGD	
CN1C(=O)CC[C@H]1CC(=O)NNc1cc(C#N)cc(Cl)n1	831544125	RADVZEPWEGEXSY-VIFPVBQESA-N	307.741	1.061	50	20	DDGD	
C=C[C@@H]1OCCC[C@H]1NCC(=O)NNC(=O)c1cccc(C)c1	831834119	DXEGJNBIOQPSNG-CABCVRRESA-N	317.389	1.079	50	20	DDGD	
C[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]2CCCC[C@@H]12	584928241	GPWCPXVZQLBIEP-UHOFOFEASA-N	301.195	1.407	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNc2ccc(C(=O)O)cn2)cn1	833453158	VJYGNXLZKJTLAS-UHFFFAOYSA-N	303.322	1.488	50	20	DDGD	
CO[C@H]1CC(=NNC(=O)[C@@H]2COc3ccccc3O2)C12CCC2	834918346	UGEVQAMMIZMWAJ-ZFWWWQNUSA-N	316.357	1.888	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H](C)N(C(=O)OC(C)(C)C)C1CC1	910144803	NFPARABPNWZDHZ-WDEREUQCSA-N	315.414	1.118	50	20	DDGD	
CC(C)CCn1nccc1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	831700518	IPUSXCNPDJEGKH-NEPJUHHUSA-N	323.397	1.507	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)OCC(F)(F)F)C[C@@H]1Br	912596862	JDLKNZDBWPFGPE-MHTLYPKNSA-N	319.077	1.480	50	20	DDGD	
C[C@]1(CNc2nc(N)nc(Cl)c2N)C[C@H]1Br	912290301	VWZYCGVCHWRLMB-ALFREKQPSA-N	306.595	1.880	50	20	DDGD	
CCc1ncncc1C(=O)NNC(=O)COc1ccc(F)cc1	916132193	UAVUEWOGQGJBNY-UHFFFAOYSA-N	318.308	1.018	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=C1CCc2ccccc2C1	743445057	BJRXUIKXPLZPFV-UHFFFAOYSA-N	312.329	1.091	50	20	DDGD	
CC[C@H](NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)C1CCCC1	838703430	IYBKJOUFPFQLNQ-JSGCOSHPSA-N	317.455	1.336	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1ccc(O)nn1	748716590	LDFVOWUSCMKYJX-UHFFFAOYSA-N	309.669	1.501	50	20	DDGD	
CC(=NNC(=O)c1ccc(O)cc1)c1ccc(-n2cnnn2)cc1	918708260	XHHDTZUBALLHJZ-UHFFFAOYSA-N	322.328	1.522	50	20	DDGD	
O=C(NNc1ccc(Cl)c(C(F)(F)F)c1)[C@@]1(O)CCOC1	846377657	YXMSUTYNKYMLEV-LLVKDONJSA-N	324.686	1.953	50	20	DDGD	
O=C(NNc1cc(Cl)cc(Cl)c1)[C@@H]1CCS(=O)(=O)N1	846007428	HKAKEXBERWRIAX-VIFPVBQESA-N	324.189	1.128	50	20	DDGD	
COCCOc1ccc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	842552962	DATGJKYVKXWGQZ-IUODEOHRSA-N	306.362	1.587	50	20	DDGD	
Cc1nn(C)c(Cl)c1S(=O)(=O)NCCCSC#N	916971824	IUTNZRCPCYZDPV-UHFFFAOYSA-N	308.816	1.265	50	20	DDGD	
C[C@@H]1CCC[C@@](CNC(=O)NNC(=O)C(C)(C)C)(N(C)C)C1	919658482	RQIBWEQTMRVFOT-MLGOLLRUSA-N	312.458	1.873	50	20	DDGD	
CCc1ccc2c(c1)C(=NNC(=O)[C@@H]1CCO[C@H]1C)C(=O)N2	842560592	YBZJNMCRGAFYSH-GXSJLCMTSA-N	301.346	1.446	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@@H]1CCc2ncncc2C1	843885780	JQGIRUOUXYSUQT-GFCCVEGCSA-N	324.388	1.782	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NN=C2C[C@H](C)n3ncnc32)c1	841607577	XENHSENRMBGEBQ-LBPRGKRZSA-N	313.361	1.759	50	20	DDGD	
CCC(=NNC(=O)Cc1cc(O)nc(O)n1)c1ccccc1	743447052	AZLDWLGDADBXPF-UHFFFAOYSA-N	300.318	1.361	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(Cl)cc(F)c1N	843973881	ZUGVFDNZTZKITJ-SVRRBLITSA-N	315.732	1.247	50	20	DDGD	
CS[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ncccn1	845333619	LZEZZRJRMVJBBB-NXEZZACHSA-N	309.395	1.095	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccc(F)c(F)c1F)N1CCCC1=O	743332515	RJSFCLRAUDNIFX-JTQLQIEISA-N	315.295	1.948	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1ccc(OCCC(=O)O)cc1	842560005	YLYHZEPZIHJRBQ-BXUZGUMPSA-N	320.345	1.415	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc2c(c1)CC(C)(C)O2	748259511	WNBZYKLDJHDSDU-GFCCVEGCSA-N	320.389	1.902	50	20	DDGD	
O=C(Cc1cnn2ccccc12)NNC(=O)CC1CCCC1	844132371	FFEKWTOVCIFIHK-UHFFFAOYSA-N	300.362	1.605	50	20	DDGD	
CC(C)Oc1ccccc1CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843649593	VVGNCIPYDZIUBC-OCCSQVGLSA-N	320.389	1.589	50	20	DDGD	
CSc1ccc(C)c(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	843643306	LZTBATJAYOWYFS-ZYHUDNBSSA-N	308.403	1.903	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)N[C@@H]1CCn2ccnc2C1	922078894	ZCGWCLRHOXOYMS-SECBINFHSA-N	307.304	1.802	50	20	DDGD	
C[C@H](CN1CCCCC1)NC(=O)NNC(=O)c1cccc(F)n1	852182220	UTFPHHDHCDTGON-LLVKDONJSA-N	323.372	1.039	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C=NNC(=O)c1ncccn1	853358655	CUABLUCWNLWRCE-WCQYABFASA-N	314.349	1.094	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](c1cccnc1)C(C)(C)CO	855107697	BSQYYPIOSSTCEK-UELRPHRMSA-N	303.362	1.701	50	20	DDGD	
CCNC(=O)NN=C(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	853295888	UHQQBHKURANFQX-NSHDSACASA-N	314.386	1.317	50	20	DDGD	
C[C@@H]1CN(C(=O)NC[C@]2(C)C[C@@H]2Br)CC[C@H]1O	856959899	ZJVOQTIQLMEZGR-SVDPJWKOSA-N	305.216	1.572	50	20	DDGD	
COC(=O)[C@@H]1CCN(S(=O)(=O)CCCCCl)C[C@@H]1C	851825098	SQJRVSHAYZAHKT-WDEREUQCSA-N	311.831	1.466	50	20	DDGD	
CCn1nccc1C(=O)NNc1ccc(C)c(C(=O)OC)c1	857266536	CSNFOUPWTFRPNH-UHFFFAOYSA-N	302.334	1.755	50	20	DDGD	
COC(=O)c1coc(C=NNC(=O)Cc2ccccc2OC)c1	758112821	JZKFCLOYVWOSQA-UHFFFAOYSA-N	316.313	1.768	50	20	DDGD	
CNC(=S)N(C)NC(=O)CO[C@@H]1C[C@@H](C)CC[C@H]1C(C)C	854926738	JSGSVTGFDCPUKB-RWMBFGLXSA-N	315.483	1.931	50	20	DDGD	
CCc1cc(CNC(=O)NC[C@]2(C)C[C@H]2Br)n[nH]1	856835704	VNZRRRLOQRKNTB-PWSUYJOCSA-N	315.215	1.945	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(C(F)(F)F)nc1O	921040809	GUUPMCRRTHIBLS-UHFFFAOYSA-N	306.244	1.160	50	20	DDGD	
CC1(C)C[C@]1(C(=O)O)C(=O)NNc1c(F)c(F)nc(F)c1F	852950672	LAPSURWNZVHMEH-GFCCVEGCSA-N	321.230	1.582	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@](C)(O)CC)cc1	929243850	ICWOEMHYHNBVJX-CQSZACIVSA-N	311.407	1.564	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cccc(F)c1SC	850411680	HZVXQELHYQQXGS-UHFFFAOYSA-N	315.326	1.263	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CC23CCOCC3)c1	858517280	QSCKHFYAAFDITG-LLVKDONJSA-N	309.391	1.570	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)c2cccc(F)n2)[C@]12CCCO2	853444787	SSNULDJCBXFNPW-IUODEOHRSA-N	307.325	1.665	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CC[C@@H]1CC1(Cl)Cl	855007706	YDXBPXSEHRYJDD-YIZRAAEISA-N	309.193	1.533	50	20	DDGD	
Cc1ccccc1C(C)(C)CNC(=O)NNC(=O)c1cn[nH]c1	858172542	BIHJKCMBUFDRJC-UHFFFAOYSA-N	315.377	1.640	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCS[C@@H](C)CC2)c1	755200404	VAASZFJULBEKEN-ZDUSSCGKSA-N	321.446	1.583	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)C2CCCC2)C[C@H]1Br	856850900	DVULNZSDULGRPO-SKDRFNHKSA-N	318.215	1.681	50	20	DDGD	
CC(CC1CCOCC1)=NNC(=O)[C@H](C)CN1CCOCC1	757562902	GXXZWXAEKRTIAI-CYBMUJFWSA-N	311.426	1.264	50	20	DDGD	
CC(C)n1ccnc1C=NNC(=O)[C@H]1COc2ccccc2O1	853261628	PIEYCPLQZHQFNU-CQSZACIVSA-N	314.345	1.754	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(OCc2cccnc2)cc1	920858507	YFWPJJCUICCXNZ-UHFFFAOYSA-N	314.345	1.625	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@]2(C(F)(F)F)CCNC2)n1	852800640	PWVOLNBDLAULTK-LLVKDONJSA-N	303.288	1.079	50	20	DDGD	
CCOC(=O)NC1CCC(=NNC(=O)NCC(F)(F)F)CC1	853292361	CUXZFFIWNCADJR-UHFFFAOYSA-N	324.303	1.893	50	20	DDGD	
CC(=NNC(=O)Cc1cn2ccccc2n1)c1cc(O)cc(O)c1	753706902	DJBYSPXMMDNIJG-UHFFFAOYSA-N	324.340	1.828	50	20	DDGD	
C[C@H](NC(=O)NNc1cc(F)cc(Cl)c1)c1nncn1C	853403374	VRWIKXUAYMMFNR-ZETCQYMHSA-N	312.736	1.995	50	20	DDGD	
Cc1nn(C)cc1C=NNC(=O)COc1ccccc1[N+](=O)[O-]	755540119	FGYJHYJQPMLURS-UHFFFAOYSA-N	317.305	1.166	50	20	DDGD	
CSc1ccc(CCCC(=O)NNC(=O)c2cc[nH]n2)cc1	855354871	LDFBDTAHDRIKCS-UHFFFAOYSA-N	318.402	1.916	50	20	DDGD	
CSc1nsc(NC(=O)NNC(=O)c2cccnc2)n1	757586470	GHCZQTSBZJYMMX-UHFFFAOYSA-N	310.364	1.122	50	20	DDGD	
O=C(CCc1ccoc1)NNC(=O)Cn1cnc2ccccc21	753276405	IAPBRJWTPVCDGV-UHFFFAOYSA-N	312.329	1.410	50	20	DDGD	
Cn1cc(Cl)c(CNS(=O)(=O)CC(C)(C)CCl)n1	867349920	XQMNBBLXEHOQPR-UHFFFAOYSA-N	314.238	1.758	50	20	DDGD	
COC(=O)c1cccc(CC(=O)NN[C@@H](C)C(F)(F)F)c1	862316174	MGQKNKSIBSNMSG-QMMMGPOBSA-N	304.268	1.587	50	20	DDGD	
O=C(Cn1cc(C2CC2)cn1)NNCC(F)(F)C(F)(F)F	863102512	LGURAJKQWMZZRT-UHFFFAOYSA-N	312.242	1.579	50	20	DDGD	
O=C(NN=C1CCS(=O)CC1)c1nnc(-c2ccccc2)o1	761810627	BSQZTKNBYNWQHA-UHFFFAOYSA-N	318.358	1.365	50	20	DDGD	
CCCN(C)c1ccc(C(=O)NNC(=O)c2cn[nH]c2)cc1	862474816	PXVLWSLWZJSURP-UHFFFAOYSA-N	301.350	1.331	50	20	DDGD	
CC(C)c1ncc(Cl)c(C(=O)NNC(=O)c2cn[nH]c2)n1	862474919	SXSAYOUTHCVQAR-UHFFFAOYSA-N	308.729	1.051	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)Cc2cnc[nH]2)c(O)c1	863859453	CJZXTUVVWVHCST-JTQLQIEISA-N	302.334	1.064	50	20	DDGD	
CSc1ccncc1NC(=O)C(=O)NNC(=O)C1CCCC1	764077553	QIMBVMAYEHWISC-UHFFFAOYSA-N	322.390	1.080	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccc(C(F)F)cc1	869909081	IHCSFGUMIOQZIY-UHFFFAOYSA-N	302.277	1.048	50	20	DDGD	
COCC(=O)NN=C1CCc2ccc(OC(F)(F)F)cc21	761818609	OXCHTUQRZPGGTG-UHFFFAOYSA-N	302.252	1.998	50	20	DDGD	
CC1(C)CC(C(=O)NNC(=O)CS(C)(=O)=O)CC(C)(C)C1	863467229	RESYAXBDULMNHF-UHFFFAOYSA-N	318.439	1.031	50	20	DDGD	
C[C@@H]1CN(C)CC1=NNC(=O)c1cc(-c2cccs2)[nH]n1	764787847	QLXOEAKZBVRGJZ-SECBINFHSA-N	303.391	1.806	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNC(=O)c1cc(C)cs1	862477042	BHAHXIJGXLRIMO-UHFFFAOYSA-N	311.407	1.466	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccc(-c2ccco2)nc1O	760914687	SCHFUGRGDZKZCO-UHFFFAOYSA-N	315.264	1.733	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H](C)Cc2ccc(F)cc2)n[nH]1	869012142	HROZCRZTKWAGRB-SNVBAGLBSA-N	318.352	1.426	50	20	DDGD	
O=C(NN=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccncc1	864049015	BBCWBJKQXNZKSV-UHFFFAOYSA-N	315.245	1.662	50	20	DDGD	
COc1ccc2cc(C(=O)NNc3ncc(F)cn3)[nH]c2c1	760915018	RGYPUBSQTSCMPN-UHFFFAOYSA-N	301.281	1.863	50	20	DDGD	
Cn1nnc2c1C[C@@H](C(=O)NNc1cccc(F)c1Cl)CC2	862508729	XKVUIMOSPLTVBP-QMMMGPOBSA-N	323.759	1.856	50	20	DDGD	
Cc1nn(C)c(-n2cccn2)c1C(=O)NN[C@H](C)C(F)(F)F	862317980	MYFSCFBBSCNMIH-MRVPVSSYSA-N	316.287	1.099	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)CNC(=O)c2cccnc2)C[C@H]1C	767384750	IHNQHUIWZRFSCK-VXGBXAGGSA-N	302.378	1.740	50	20	DDGD	
Cc1cc(=NNC(=O)C2(NC(=O)OC(C)(C)C)CCC2)cc[nH]1	862515305	PYTATGAZVWGNKG-UHFFFAOYSA-N	320.393	1.702	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H]2CC(=O)NNc1ncccn1	760325241	FWDUHODTEZKHEJ-JTQLQIEISA-N	300.318	1.495	50	20	DDGD	
C[C@](O)(CNC(=O)CCCC[C@H]1CCSS1)C(=O)O	769742199	JLOAFXLUCGNHFD-CABZTGNLSA-N	307.437	1.652	50	20	DDGD	
C[C@H]1CC(NC(=O)NNC(=O)c2ccccc2F)C[C@H](C)O1	767320987	ZEVDCQNFOVZZMA-UWVGGRQHSA-N	309.341	1.726	50	20	DDGD	
CCN(CC)C(=O)c1ccc(NC(=O)NN(C)CCOC)cc1	878007251	QJPJSJLJAGTXCZ-UHFFFAOYSA-N	322.409	1.783	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CCCC(N)=O)c1	873754087	GSHRELAMJXGNRG-UHFFFAOYSA-N	308.407	1.277	50	20	DDGD	
CCO[C@@H]1COC[C@H]1NC(=O)NNc1cccc(F)c1Cl	875650555	KAFDSCUVZARTPS-GHMZBOCLSA-N	317.748	1.909	50	20	DDGD	
C=CC(C)(C)CC(=O)NNC(=O)CNc1cccc(OC)c1	878039593	ZCLCNDMGBGRLJD-UHFFFAOYSA-N	305.378	1.857	50	20	DDGD	
Cc1noc(C)c1NC(=O)C(=O)NNc1cccnc1Cl	1116711891	GRCUHDNICPLLFR-UHFFFAOYSA-N	309.713	1.422	50	20	DDGD	
COc1cc(C=NNC(=O)N2CCOCC2)c(Cl)cc1O	872346111	HGLVRHJFWJLWSA-UHFFFAOYSA-N	313.741	1.430	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C(C)c2cnn(C)c2C)c1	778540660	WLFLVEKXZXJEIS-UHFFFAOYSA-N	316.361	1.900	50	20	DDGD	
N#Cc1cccc(NNC(=O)N[C@H]2CCO[C@]3(CCOC3)C2)c1	771441018	BJNMMTSXUJSULV-GOEBONIOSA-N	316.361	1.522	50	20	DDGD	
Cc1ccn(CC(=O)NNc2nccc3sccc23)c(=O)c1	774019615	VXSCYVYBWYDVOR-UHFFFAOYSA-N	314.370	1.910	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccccc2[N+](=O)[O-])cn1	871019491	DJBLUGOHAXDSFQ-UHFFFAOYSA-N	316.273	1.533	50	20	DDGD	
CCn1nc(C(C)C)cc1C(=O)NNc1ccnc(N(C)C)n1	1116110177	HMLDKSTUQADLDY-UHFFFAOYSA-N	317.397	1.639	50	20	DDGD	
CCC(C)(C)NC(=S)NNC(=O)CNc1ccc(OC)cc1	774138168	KFZUUBDMIQCUJG-UHFFFAOYSA-N	324.450	1.791	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1cnc([C@@H](C)O)s1	773023803	GQYCTUPYDPQZBV-NWDGAFQWSA-N	324.450	1.769	50	20	DDGD	
CCCn1cc(C=NNC(=O)c2ccc3c(c2)OCO3)nn1	872328550	VJTSKFXNSACJEF-UHFFFAOYSA-N	301.306	1.181	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)CCC(C)(C)C	772315559	KKLIBJJEKCLUBT-QWRGUYRKSA-N	300.399	1.938	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CN3CCN2C[C@@H]3C)ccc1Cl	1124033518	RWOMWHSYJHOYLZ-FZMZJTMJSA-N	308.813	1.480	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2cc(Cl)ccn2)n1	773663450	BLTGYVUUBPMCII-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
O=C(CCc1cccc2c1OCO2)NNC(=O)c1ccccn1	770202855	YVJACWRTKRNGSG-UHFFFAOYSA-N	313.313	1.204	50	20	DDGD	
CO[C@H]1CCC[C@H]1C(=O)NNC(=O)c1c[nH]c2ccccc12	1120519538	MKLPVPPFJGCUMG-RISCZKNCSA-N	301.346	1.744	50	20	DDGD	
Cn1ccnc1CCC(=O)NC[C@@]1(C)C[C@@H]1Br	1123930632	IQPASGAVGNOHTM-JOYOIKCWSA-N	300.200	1.642	50	20	DDGD	
COc1c([N+](=O)[O-])ccc(C=NNC(=O)c2cccnc2)c1O	772989803	IDIZXDLZWSVQMY-UHFFFAOYSA-N	316.273	1.468	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccc2nsnc2c1	776704512	CJEHVTFDDBNVTF-UHFFFAOYSA-N	313.342	1.090	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C[C@@H]1CCC[C@@H]1C	772362834	DBKBCJGIEMOUEL-AVGNSLFASA-N	312.410	1.938	50	20	DDGD	
O=S(=O)(CBr)N1CCc2ccccc2[C@H]1CO	778056074	VPFGYOIDPKWPGU-LLVKDONJSA-N	320.208	1.260	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CCC[C@H]2OC)cc1	1120647176	DSROMVBYZPPQGZ-CHWSQXEVSA-N	307.350	1.663	50	20	DDGD	
CCOC(=O)C1(CC(=O)NNc2ccnc(N(C)C)n2)CCC1	789906559	HFYCGLSJOVFFPO-UHFFFAOYSA-N	321.381	1.109	50	20	DDGD	
CC(C)[C@H](F)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	784016447	INZJRPZUWMGFEE-SKDRFNHKSA-N	300.305	1.735	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2	785409394	AHQBRVNCORIIJG-LURQLKTLSA-N	309.288	1.083	50	20	DDGD	
Cn1nc(Br)cc1/C=C(/C#N)C(=O)N1CCCC1	782306015	OQFCVUPVVRNGGE-TWGQIWQCSA-N	309.167	1.712	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Cn1cc(C2CCCCCC2)nn1	881305705	BQDNWMYQIMCGST-UHFFFAOYSA-N	321.425	1.909	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc(-c2ccco2)cc1F	786497934	TWVRRDKKTQHIRL-UHFFFAOYSA-N	320.324	1.800	50	20	DDGD	
NC(=O)N1CCC[C@@H](C(=O)NNc2c(F)cc(F)cc2F)C1	885150950	PRYNPZSXRFARDY-SSDOTTSWSA-N	316.283	1.338	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1CCCCN1C(=O)CCC	887143023	ILCRMCQXNNVOKI-CYBMUJFWSA-N	307.394	1.119	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2c(C)nc3ccccn23)CCC1	785724281	WSMRKAOGZLMBHN-UHFFFAOYSA-N	316.361	1.220	50	20	DDGD	
O=C1NCCC[C@@H]1C(=O)NNc1ccnc2cc(Cl)ccc12	895546942	YINMOKZDJVGHIO-NSHDSACASA-N	318.764	1.858	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CCOC3(CCC3)C2)cc1	895982713	PCPBBVHFQMDMKU-CQSZACIVSA-N	313.357	1.669	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCCN1CCNC1=O	891074839	HWSQQGDEERKZDR-UHFFFAOYSA-N	305.382	1.209	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H]1CCC(=O)[C@H](C)C1	780737340	LBSKRMCSWBMXSD-GHMZBOCLSA-N	304.346	1.922	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC[C@H]2CCC=CO2)cc1	780753848	AFISPOQIZPMWJG-CQSZACIVSA-N	319.361	1.397	50	20	DDGD	
CN1CCC[C@@H]1c1cc(C(=O)NNC(=O)CC(C)(C)C)n[nH]1	896148708	HBDZNDPDZOJRRB-GFCCVEGCSA-N	307.398	1.374	50	20	DDGD	
CO[C@H](C(=O)NNc1nccnc1C(C)C)c1cnn(C)c1	799001873	KIRZQASWRGREOA-LBPRGKRZSA-N	304.354	1.164	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1sc2ncccc2c1N	899999352	JSQNDOPSPHDHDD-UHFFFAOYSA-N	323.447	1.786	50	20	DDGD	
CSSCCNC(=O)CNC(=O)c1ccc(F)cc1F	791099190	DNJBBNROGMVLJL-UHFFFAOYSA-N	320.386	1.822	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2[nH]ccc2C)c(C)c1	798106823	QJEDLWGQWCGMSJ-UHFFFAOYSA-N	300.362	1.813	50	20	DDGD	
O=S(=O)(CBr)N[C@H]1COc2ccccc2C1	272866514	YPKVNQNASYLRDM-SECBINFHSA-N	306.181	1.262	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])c1	791069247	IBWWWEGGWYNPFG-UHFFFAOYSA-N	318.264	1.590	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2ccc(Cl)cn2)n1	794751587	LTZCLHCDESUJCD-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
Cc1csc(CC(=O)NN=C2CCCc3nn(C)cc32)n1	794488137	IRDZBVVZWAGEGF-UHFFFAOYSA-N	303.391	1.584	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CC([C@@H]3CCOC3)C2)cc(C#N)n1C	792608572	QOZCJECCQNYADV-MGEAWDSWSA-N	324.384	1.607	50	20	DDGD	
COC(=O)c1ccccc1C=NNC(=O)c1ccc(O)c(O)c1	794557331	XYDXJBHHOPSSGS-UHFFFAOYSA-N	314.297	1.648	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)COc1ccccc1F	792801218	OAIVZCVTGCJXPT-HZMBPMFUSA-N	312.341	1.413	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@@H](O)c2ccccc2)n1	793232298	VHTWEAWOBGRGCU-CQSZACIVSA-N	314.345	1.068	50	20	DDGD	
CCCN(CC(=O)NNC(=O)c1cccs1)CC(F)F	777572199	GLFIFCHCSOGAGB-UHFFFAOYSA-N	305.350	1.486	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1326416077	AMHBYEHKNNKTFX-MNOVXSKESA-N	304.394	1.876	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)N[C@@H]1CCC[C@H](F)C1	1326297438	AQJYUIDHWGXNFM-QWHCGFSZSA-N	311.332	1.979	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC[C@H](C)CNC)c1ccccc1	1325679644	GYKJWXNIAKPZGA-OCCSQVGLSA-N	306.410	1.366	50	20	DDGD	
Cc1ocnc1C(=O)NNC(=O)c1ccc(Br)cc1	1324631956	RDYZTUMMICRNMQ-UHFFFAOYSA-N	324.134	1.820	50	20	DDGD	
Cc1cccc(CN2CCCC[C@H]2C(=O)NNc2nc[nH]n2)c1	1331350501	JJXYZQFSWUTOHQ-AWEZNQCLSA-N	314.393	1.611	50	20	DDGD	
O=C(NNC(=O)c1cnn(C2CCCCC2)c1)c1ccncc1	1338824153	MGXXWSYBSAUNFW-UHFFFAOYSA-N	313.361	1.858	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	1338504108	GRMGUTBNIMLIHJ-NTZNESFSSA-N	324.352	1.556	50	20	DDGD	
COc1nc2sccn2c1C=NNC(=O)C1CCOCC1	1330901273	AVXMOARROCWLII-UHFFFAOYSA-N	308.363	1.281	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCC[C@H](F)C1	1349082262	RPRCMOQUPLYFAD-QWRGUYRKSA-N	324.312	1.820	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(C)c1	1345732465	IMEVSJUSIOAQIY-BXUZGUMPSA-N	321.377	1.259	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N[C@]1(C)CCOC1=O)c1ccccc1	1346990050	KIPNCQLMTOIOGG-MRXNPFEDSA-N	319.361	1.000	50	20	DDGD	
C[C@]1(COC(=O)C[C@@H]2CCCC(=O)N2)C[C@H]1Br	1345265083	IRFXYRAILSGHML-YGOYTEALSA-N	304.184	1.762	50	20	DDGD	
CC1(C)[C@@H]2CC[C@@]1(C(=O)NNC(=O)Cc1cccnc1)C(=O)C2	1519347542	MCOHLKUFMQVKCE-PXAZEXFGSA-N	315.373	1.167	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)O)cn1	1608480891	WYEUTUCYSCEGAJ-UHFFFAOYSA-N	317.261	1.837	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C2(C(=O)O)CCC2)c1	1605254708	XRIQIJOVLMEWGP-UHFFFAOYSA-N	320.345	1.085	50	20	DDGD	
O=C(NC[C@H]1C[C@H]1C(=O)O)NNc1ncnc2ccsc12	1601528272	WSUNMOYSUDORJG-RNFRBKRXSA-N	307.335	1.038	50	20	DDGD	
C[C@H](CBr)CN1CCC2(CC1)CC(C(=O)O)=NO2	1609725378	AMVDNMMTMFIGEN-SECBINFHSA-N	319.199	1.713	50	20	DDGD	
CCCCCOc1cc(C=NNC(=O)C(=O)O)ccc1OC	1605272188	PWILFCBKAFMTPY-UHFFFAOYSA-N	308.334	1.799	50	20	DDGD	
Cc1oc(C(=O)O)cc1C(=O)NNc1nc2ccccn2n1	1608033708	KNIQDGZYZODSSZ-UHFFFAOYSA-N	301.262	1.086	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@@H]1c1nccn1C)c1cn[nH]c1	1549311879	USAGWSCHSRLKSM-OLZOCXBDSA-N	316.365	1.151	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1ccc(F)cc1	1549315375	MXJUZFIAWATJPC-GDBMZVCRSA-N	319.380	1.919	50	20	DDGD	
Cc1cncc(CNC(=O)NNc2cccc(C(=O)O)c2)c1	1610540531	FOFOSOJFZUNPNC-UHFFFAOYSA-N	300.318	1.915	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)cc1C	1549316108	FCRGUUQDQJALAV-HOCLYGCPSA-N	317.389	1.317	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H]2CCCO[C@H]2c2nccn2C)on1	1549510454	OOTOTOQRFFUHOU-QWHCGFSZSA-N	317.349	1.335	50	20	DDGD	
C[C@](N)(C(=O)NNc1ccccn1)c1cccc([N+](=O)[O-])c1	1576086449	SEEUZEBTDLYLNV-CQSZACIVSA-N	301.306	1.307	50	20	DDGD	
Cc1ccc(O[C@H](C)C(=O)NNc2ncccc2C(=O)O)cc1	1574378054	HYDFAUNZQBCHSP-LLVKDONJSA-N	315.329	1.999	50	20	DDGD	
Cc1cc(Br)cnc1NNC(=O)[C@@]1(F)CCNC1	1579552925	ONTMYCMMRJDUGK-LLVKDONJSA-N	317.162	1.297	50	20	DDGD	
CC(C)(C(=O)NNc1cccc(C(=O)O)c1F)c1cnc[nH]1	1589574959	QCTOBTFLJGMXAD-UHFFFAOYSA-N	306.297	1.668	50	20	DDGD	
O=C(NNc1cncc(Br)c1)[C@]12C[C@H]1CCCN2	1580739285	BWUBVVITNMXIIV-PELKAZGASA-N	311.183	1.429	50	20	DDGD	
NC[C@H]1Cc2ccccc2N(S(=O)(=O)CCCCl)C1	1580273340	JXYQKSWINMGLTC-LLVKDONJSA-N	302.827	1.583	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnc[nH]1	1847867583	XUDPQPZCGNBDMZ-WXHSDQCUSA-N	324.812	1.633	50	20	DDGD	
CC(=O)C[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843366932	YEBPZVKSMOUNRH-MWLCHTKSSA-N	318.776	1.339	50	20	DDGD	
C=C(CCC(=O)O)C(=O)NNc1ccc(C(F)(F)F)cn1	1588630671	WUPUEPGNGLAINB-UHFFFAOYSA-N	303.240	1.965	50	20	DDGD	
C[C@H]1CN(C(=O)[C@@]2(C)C[C@@H]2Br)CC[C@H]1C(=O)O	1599915041	NNLHSSWNMIWQGH-NHRVJRKFSA-N	304.184	1.729	50	20	DDGD	
O=C([C@H]1CCCCO1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843361858	VZWBXVSINGWLQW-MNOVXSKESA-N	318.776	1.293	50	20	DDGD	
CC1(C)OC[C@H](/C=C/C(=O)NNc2cccc(C(=O)O)c2)O1	1593979946	APTNSVUBKAUWQH-SYTKJHMZSA-N	306.318	1.536	50	20	DDGD	
C[C@]1(C(=O)NN=Cc2cc(C(=O)O)c3n2CCCC3)CCCO1	1593756193	GTJLMJPPBWQVKW-MRXNPFEDSA-N	319.361	1.542	50	20	DDGD	
Cc1nc(O)nc(S)c1C(=O)NNc1cccc(C(=O)O)c1	1599941625	PILVQGKGIJBYJZ-UHFFFAOYSA-N	320.330	1.234	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)c2ccc(C(=O)O)cc2)s1	1776100005	LPWCVPFVIZJHSI-UHFFFAOYSA-N	318.358	1.671	50	20	DDGD	
CCc1cc(C(=O)O)c(C=NNC(=O)c2ccc(CO)o2)s1	1776097212	RRKNFCHXADVNBH-UHFFFAOYSA-N	322.342	1.858	50	20	DDGD	
CCCCNC(=O)NN=Cc1cccn2c(C(=O)O)cnc12	1776039124	OGQOXNONURWBIR-UHFFFAOYSA-N	303.322	1.466	50	20	DDGD	
Cn1cc(C(=O)O)cc1C=NNC(=O)CNc1ccccc1	1776016467	XLEBDPTZPWSQDT-UHFFFAOYSA-N	300.318	1.286	50	20	DDGD	
Cc1nc(CC(=O)NNC(=O)c2ccc(C#N)cc2)c(C)s1	156063413	UFQWJUSURPMWTH-UHFFFAOYSA-N	314.370	1.635	50	20	DDGD	
C[C@H](CC(=O)NNc1ccc(C(N)=O)nn1)c1cccc(F)c1	154282309	HUROBIWSTCDKGB-SECBINFHSA-N	317.324	1.352	50	20	DDGD	
CS(=O)(=O)C[C@@H]1CCN(C[C@H](CBr)C2CC2)C1	859313125	IMIWHZNECIBAIC-PWSUYJOCSA-N	324.284	1.774	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H](OC)c1ccccc1	4838821	BFEBCZWPJAJEOO-OAHLLOKOSA-N	314.341	1.844	50	20	DDGD	
Cc1ccc(OCCCC(=O)NNC(=O)c2ccc[nH]2)cc1	6991112	BCEKQTQCVDDHJJ-UHFFFAOYSA-N	301.346	1.943	50	20	DDGD	
CCCC(=O)N1CCC[C@H](C(=O)NNC(=O)CC(C)(C)C)C1	103196742	WKUOYZLMXCWXMW-LBPRGKRZSA-N	311.426	1.609	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2cccnc2C)c1	108447324	KQAACCCJAVSNLL-UHFFFAOYSA-N	314.345	1.272	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cccc(CS(C)(=O)=O)c1	10160815	OHRRAHGAGCKFAC-UHFFFAOYSA-N	312.391	1.038	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cc(F)c(F)c(F)c1	103217033	LAZBCAPSGBGPCD-UHFFFAOYSA-N	315.173	1.610	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)c2cc(C)n[nH]2)cc1OC	54146728	MCNFEITXMSVJFJ-UHFFFAOYSA-N	318.333	1.200	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@H]2CSc3ccccc32)cn1	118230344	CWGXOHXCHMCZSJ-NSHDSACASA-N	302.359	1.071	50	20	DDGD	
COc1ccc(C)cc1-n1ccc(C(=O)NNc2cnccn2)n1	114882323	NGSJCHNFCWLHJF-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
CCO[C@H](C)C(=O)NNC(=O)c1cc(-c2ccccc2)on1	60500315	KHZQJYCTOBJLKR-SNVBAGLBSA-N	303.318	1.528	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)CC1CCCCCC1	176969258	JDKSVAWPYMTTPY-UHFFFAOYSA-N	311.426	1.799	50	20	DDGD	
COC(=O)N1CCC(=NNC(=O)Cc2ccccc2OC)CC1	63386121	UKRZDIOQNUZRDA-UHFFFAOYSA-N	319.361	1.572	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cnn(C(C)(C)C)c2)nc1	179800565	QZHZXGYRCJZIKD-UHFFFAOYSA-N	317.349	1.577	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@H]1CSc2ccccc21	118223346	OLDGBLZOWZEFTE-ZDUSSCGKSA-N	313.382	1.661	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)[C@H]1CCCN(C(=O)C2CC2)C1	118498253	IUKDMJIUKZRWOL-JTQLQIEISA-N	323.784	1.222	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CC2CCOCC2)cc1	117231633	DWGGNAWEIWCVCT-UHFFFAOYSA-N	306.362	1.338	50	20	DDGD	
CCOC(=O)NNC(=O)c1cccc(OC[C@H]2CCCO2)c1	26353322	PERRNSCRFRVEBD-CYBMUJFWSA-N	308.334	1.635	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H]2C[C@@]23CCc2ccccc23)n1	175313437	YRFSDVBWBWFWIA-SUMWQHHRSA-N	310.357	1.832	50	20	DDGD	
CC(C)N(CCc1ccccc1)C(=O)c1cccc(B(O)O)c1	1261848256	SFOMSRZVIZCOQQ-UHFFFAOYSA-N	311.190	1.460	50	20	DDGD	
O=C(Cc1ccc(NC(=O)C2CC2)cc1)NNc1cnccn1	173600130	QBBMGPVUAGOFNB-UHFFFAOYSA-N	311.345	1.511	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1	68809871	IOQHXYAVLUGJOM-AWEZNQCLSA-N	321.377	1.597	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(C(F)(F)F)nc1	123043773	FMMOIGDTKUDLFD-UHFFFAOYSA-N	320.271	1.081	50	20	DDGD	
CC[C@H]1C[C@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)CCO1	182376722	BXHKVNMDQJQLIZ-HIFRSBDPSA-N	319.405	1.719	50	20	DDGD	
C[C@H](CN1CCCCC1)NC(=O)NNC(=O)c1ccccc1	79293693	MDEKOZMKKVRJEG-CYBMUJFWSA-N	304.394	1.505	50	20	DDGD	
Cc1cc(C(=O)NNc2ncccn2)c2cnn(C(C)C)c2n1	124043231	OWXRAFRGSRMGFY-UHFFFAOYSA-N	311.349	1.868	50	20	DDGD	
CC[C@H]1C[C@@H](C(=O)NNC(=O)COc2ccc(C)cc2)CCO1	183392646	WUGRYRXARXRMIV-KBPBESRZSA-N	320.389	1.726	50	20	DDGD	
CC(C)N(C)CC(=O)NNC(=O)Cc1cccc2ccccc12	125938340	DAVLAURHJYZLHG-UHFFFAOYSA-N	313.401	1.870	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)OCCC(C)C)c(O)c1	70822930	MZSRNDLERUQAFD-GFCCVEGCSA-N	308.378	1.913	50	20	DDGD	
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NNc1ccnc(F)c1	182532422	WPKYXFDZJCJRLN-UHFFFAOYSA-N	319.296	1.952	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)n1	128736168	NUAXBANAGDDVCU-VXGBXAGGSA-N	306.366	1.674	50	20	DDGD	
Cc1cc(Cl)ccc1S(=O)(=O)NNC(=O)c1ccc[nH]1	121086969	MJSZPZSCRBKUPO-UHFFFAOYSA-N	313.766	1.600	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1cc(Cl)ccn1)N1CCCC1=O	183006966	KVXACCHDQQGXDU-CYBMUJFWSA-N	310.785	1.825	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccncc1C(F)(F)F	194544355	RFXRSFBDJOMBPA-UHFFFAOYSA-N	312.251	1.514	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@H]1CSCCS1	194775513	DQHVECISQXWZPI-GFCCVEGCSA-N	310.444	1.615	50	20	DDGD	
C=C[C@](C)(CC)C(=O)NNC(=O)COc1ccccc1OC	134905719	RLROXZUVRJQWPT-MRXNPFEDSA-N	306.362	1.824	50	20	DDGD	
CSCC[C@H](C)NC(=O)NNC(=O)c1ccc(C#N)cc1	131963852	OWMLKAHMHMRNNW-JTQLQIEISA-N	306.391	1.644	50	20	DDGD	
O=C(CCc1ccncn1)NNC(=O)c1cc2ccccc2o1	192372974	LORRQSMDACULFV-UHFFFAOYSA-N	310.313	1.617	50	20	DDGD	
Cc1c(Br)ccc(NC(=O)NNC(=O)CO)c1F	194223217	LBKIEYKSRAZGCJ-UHFFFAOYSA-N	320.118	1.042	50	20	DDGD	
Cn1cc(C(=O)NNc2ncnc3[nH]cnc23)c(C(C)(C)C)n1	92245122	QLIABYDMNSAHBY-UHFFFAOYSA-N	314.353	1.141	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)N[C@H]3CC[C@H](C)CC3)nc21	269264647	CKICLNKOEIIZPW-KYZUINATSA-N	319.369	1.274	50	20	DDGD	
CCSc1ccc(CC(=O)NNC(=O)N2CCOCC2)cc1	269732662	GSJFVLFRSRGJLM-UHFFFAOYSA-N	323.418	1.414	50	20	DDGD	
CCc1ccc(-n2nc(C(=O)NNC(C)=O)c3c2CCC3)cc1	264501185	RJKACLRIJYNOPY-UHFFFAOYSA-N	312.373	1.704	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NNC(=O)C1CCC1	264783801	YWEZKURAIDWGNE-UHFFFAOYSA-N	318.377	1.171	50	20	DDGD	
CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)Cc1ccccc1F	274800923	QJUWVRSAEXQXAY-NSHDSACASA-N	309.385	1.682	50	20	DDGD	
N#CC1=CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1	271099249	JTGQKDQYHCYBMZ-UHFFFAOYSA-N	314.301	1.007	50	20	DDGD	
CC1(C)C[C@H](NC(=O)/C(C#N)=C\c2ccc(O)cc2)C(=O)O1	279649069	BGKGJLAVTAGZHK-YLBKJLTLSA-N	300.314	1.509	50	20	DDGD	
O=C(NNc1nnc(C2CC2)s1)c1cnc(O)c([N+](=O)[O-])c1	277926940	AQPCNFSBVQGRKZ-UHFFFAOYSA-N	322.306	1.181	50	20	DDGD	
COC(=O)N(C)c1ccc(NC(=O)NNC(=O)C2CCC2)cc1	272835062	NPSBAOJLMOGKCD-UHFFFAOYSA-N	320.349	1.842	50	20	DDGD	
CCOC(=O)/C=C/c1ccc(NC(=O)NNC(=O)C2CC2)cc1	273160613	BGDANXBUBAOZNK-BJMVGYQFSA-N	317.345	1.826	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNc1nc2ccccc2c(=O)n1CC	279188341	JFSBMKTWDXQLQW-INIZCTEOSA-N	316.361	1.187	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccc(OC(F)F)c(F)c1	273269297	ZNTNKJXWATWENK-UHFFFAOYSA-N	303.240	1.990	50	20	DDGD	
CC[C@H]1C[C@H](CC(=O)NNc2nc3ccccn3n2)CCO1	276895749	ZBWKYYFMNQZKFV-NEPJUHHUSA-N	303.366	1.768	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1cccc(Cl)c1F	274380498	SMHFSONMMQAMPV-UHFFFAOYSA-N	309.750	1.334	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NC[C@H]1CCC(F)(F)C1	280711740	MJAXGWUTNAFLTG-NSHDSACASA-N	312.320	1.390	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNC(=O)Nc1ccccc1C	281259596	OXDCVPBKEOHXCB-UHFFFAOYSA-N	320.393	1.844	50	20	DDGD	
CC1CCN([C@@H](C)CNC(=O)NNc2ncccc2F)CC1	287290377	YYKBAYGYYYCKQT-LBPRGKRZSA-N	309.389	1.967	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H]1CCc2c[nH]nc2C1	373333386	PZHHIMCGBPQNPN-WTWVRAIASA-N	308.341	1.696	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1C(=O)NNC(=O)CNC(=O)c1ccco1	280406327	YFRJKJJPOJPZGS-RYUDHWBXSA-N	321.377	1.373	50	20	DDGD	
COC(=O)Cc1occ(C)c1C(=O)NNC(=O)CC1CCCC1	289800957	MIPDRVDLWUYIAE-UHFFFAOYSA-N	322.361	1.645	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)OCCO[C@@H](C)C#N)cc(C#N)n1C	801821960	ZDZKZLXGOCKFAZ-REPOHMLUSA-N	312.329	1.584	50	20	DDGD	
CC(C)Oc1ccccc1C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	294028521	XIORAVZKAJYCKZ-FZMZJTMJSA-N	306.362	1.802	50	20	DDGD	
COc1ccc(CNC(=O)NNc2ccc(C)nn2)c(OC)n1	291001937	RBDIGEIPNXRQCN-UHFFFAOYSA-N	318.337	1.024	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1)C1CC1	291162201	JEXQDWXSOORMQI-SNVBAGLBSA-N	311.407	1.426	50	20	DDGD	
COc1ccc(/C=C(/C#N)S(=O)(=O)N(C)C)c(C)c1OC	806573002	UUNDNWOWGKERGR-WQLSENKSSA-N	310.375	1.768	50	20	DDGD	
CC(C)(O)C(=O)NN=C1C(=O)Nc2cccc(C(F)(F)F)c21	800816177	CXBCZNPXOOACOB-UHFFFAOYSA-N	315.251	1.249	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@H]1CCn2cncc2C1	805463267	QNEAONZNCGDUKC-LBPRGKRZSA-N	312.377	1.646	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCCSC2)cc1OC	809949191	DJPKEBNMHMJGSS-LLVKDONJSA-N	324.402	1.608	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CCCOC(C)(C)C	803753198	PANSPNYGGAZVSZ-JTQLQIEISA-N	302.371	1.071	50	20	DDGD	
CC(=NNC(=O)c1cccn1C)c1cccc(-n2ccnn2)c1	807958925	JLNCWOVISHQHOM-UHFFFAOYSA-N	308.345	1.760	50	20	DDGD	
CCOC1CC(N(C)CC(=O)NNC(=O)c2ccc(C)cc2)C1	805820402	MCTWXRADHSQNGR-UHFFFAOYSA-N	319.405	1.255	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc(-c3cccnc3)on2)O1	293889608	KLWXGRMVYPBTQI-CABZTGNLSA-N	316.317	1.065	50	20	DDGD	
COCCOCCC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	299273272	XKJVFDFMUHMKDA-UHFFFAOYSA-N	317.729	1.744	50	20	DDGD	
CN1CCCC(C)(C)[C@H]1CNC(=O)NNc1ncccc1F	805394665	VDEXLRUHFDKIPT-GFCCVEGCSA-N	309.389	1.967	50	20	DDGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2cncn2C)c1C	809680092	PEKJNRUICLJMHX-UHFFFAOYSA-N	323.360	1.646	50	20	DDGD	
O=C(NNc1ccccc1)[C@H]1CCCN1C(=O)C(F)(F)F	806372192	DVIHVRGZIFZLDC-SNVBAGLBSA-N	301.268	1.683	50	20	DDGD	
O=C1COc2ccc(NC(=O)NNc3ncccc3F)cc2N1	806165526	IHWASTISVJMVII-UHFFFAOYSA-N	317.280	1.700	50	20	DDGD	
Cc1nn(C)c(-n2cccn2)c1C(=O)NCC(Cl)Cl	294810154	WQCWBEVVBYFNDS-UHFFFAOYSA-N	302.165	1.448	50	20	DDGD	
COc1ccc(NNC(=O)c2cnc(C(C)(C)C)nc2)nc1	807321539	WPMVSIAQWQSSTB-UHFFFAOYSA-N	301.350	1.935	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	291383462	ZPESVCLUGAPMJW-AWEZNQCLSA-N	324.406	1.320	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H]1CCN(c2ccccc2F)C1	293494149	SBUYKYULNVPSGP-GFCCVEGCSA-N	322.384	1.781	50	20	DDGD	
NC(=O)c1ccccc1NCC(=O)NNc1ccc(Cl)nc1	809703894	RNLYBEBXZLZIAT-UHFFFAOYSA-N	319.752	1.389	50	20	DDGD	
C[C@@H]1CCCC[C@H]1C(=O)NNc1nccc(N2CCOCC2)n1	819905046	WRTVSVMWDSCYGB-CHWSQXEVSA-N	319.409	1.583	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H](O)c2ccc(Cl)cc2)n1	813407477	BOVWPVYTLMDQCT-NSHDSACASA-N	308.725	1.315	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)C(=O)Nc1ccc(C)cc1	811635517	AADRNQKVWIXIQB-ZDUSSCGKSA-N	316.361	1.094	50	20	DDGD	
Nc1ccc(C(=O)NN=Cc2ccccc2-n2cncn2)cc1	814690383	HACATRDVULZWTM-UHFFFAOYSA-N	306.329	1.613	50	20	DDGD	
O=C(CCc1cccc(OC(F)F)c1)NNC(=O)NC1CC1	819162943	ZCOAVIRWLBQLIJ-UHFFFAOYSA-N	313.304	1.713	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)COCc1nncn1C	816570136	KCPLIMVFIUJOQI-UHFFFAOYSA-N	303.366	1.346	50	20	DDGD	
CN(C)C(=O)NNC(=O)CCc1cccc(OC(F)F)c1	819199449	WSEOUHDMVYIRHC-UHFFFAOYSA-N	301.293	1.523	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cn2ccccc2n1	727867095	OSBXFNXUPYEKPD-UHFFFAOYSA-N	303.391	1.243	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@H](C)S(C)(=O)=O)nc12	828367231	KXVPCUAWYCOZAT-QMMMGPOBSA-N	313.404	1.481	50	20	DDGD	
CO[C@H]1CCC[C@H](C(=O)NNc2nc(O)c3ccccc3n2)C1	826860845	OOZJMOYZBBAZPO-QWRGUYRKSA-N	316.361	1.984	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc2ccccc2c1	495449484	XMQXCSMRHRXBMG-UHFFFAOYSA-N	301.302	1.556	50	20	DDGD	
CC(C)[C@H](CO)[C@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(C)C	490974252	MWSAUYZIKAVPLA-VFPQPWSNSA-N	318.421	1.732	50	20	DDGD	
COC(=O)N(C)NC(=O)C1CCC(OC[C@H]2CCCO2)CC1	495815893	DVJPQGNXBVXELY-WXRRBKDZSA-N	314.382	1.470	50	20	DDGD	
C[C@@H](CC(=O)O)C(=O)NNC(=O)c1cccc2ncccc12	827303458	FPKGSZHIPCZXGS-VIFPVBQESA-N	301.302	1.107	50	20	DDGD	
Cn1cc(C(=O)NN=CC(C)(C)NC(=O)OC(C)(C)C)cn1	495718361	FCDLBJZPHZYYQF-UHFFFAOYSA-N	309.370	1.439	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cnc(NC(=O)OC(C)(C)C)cn1	496550530	MSJZWUZIVWPYEK-UHFFFAOYSA-N	323.353	1.241	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@]1(c2ccccc2)CCCO1	822872365	WBQPVYJFWAWYHQ-INIZCTEOSA-N	314.345	1.634	50	20	DDGD	
C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=NNC(=O)C(C)(C)O	495949001	KYZWNMAUJDQAFF-SNVBAGLBSA-N	313.398	1.506	50	20	DDGD	
N#C/C(=C/c1cccc(-c2nn[nH]n2)c1)C(=O)N=c1cc[nH]cc1	826379057	HZKCODIEVSMMJV-LCYFTJDESA-N	317.312	1.229	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1cccc(N2CCOC2=O)c1	490616230	KTRXIHMISPXQKX-UHFFFAOYSA-N	314.301	1.046	50	20	DDGD	
CC[C@H](C)CCNC(=O)NNC(=O)COc1ccccc1C#N	820873395	OPARIYVYKHBVCU-LBPRGKRZSA-N	318.377	1.704	50	20	DDGD	
CC(C)(C)[C@@H](CC(F)(F)F)NC(=O)c1ccc(B(O)O)cc1	584973370	BGSYAOXOZNRJIV-LLVKDONJSA-N	317.116	1.463	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(N(C)c2ccccc2)nc1	823846270	GZZKHBVLALGDJL-UHFFFAOYSA-N	314.389	1.809	50	20	DDGD	
CCN(CCO)NC(=O)c1cccn2cc(C(F)(F)F)nc12	823897961	OMXHICZODRYWLU-UHFFFAOYSA-N	316.283	1.312	50	20	DDGD	
CC[C@H](C(=O)NN=Cc1cc(C(=O)O)nn1C)c1ccccc1	901189961	VQBYSDBKABDFBR-ZDUSSCGKSA-N	314.345	1.762	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H](C)n1ccc2ccccc2c1=O	495522814	DIDALCIWSLMTHJ-SNVBAGLBSA-N	303.318	1.340	50	20	DDGD	
CNC(=O)Cn1ccc2ccc(NC(=O)NN(C)C3CC3)cc21	824205276	KYRORAGMJKGWGY-UHFFFAOYSA-N	315.377	1.518	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@@]2(C)C[C@H]2Br)CCS(=O)(=O)C1	907752732	IMPLMWHCIIEERA-KKZNHRDASA-N	324.240	1.053	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H](C)Cc1cccs1	825632609	BXQRZLDHHDGXNF-SCVCMEIPSA-N	311.407	1.435	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@H]1CCN(CC(F)F)C1	496680496	INTYUXCRZGFNBH-QMMMGPOBSA-N	308.329	1.065	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cn2cc(Cl)cc(Cl)c2n1	823928670	QFJSNJXXCQEDDH-ZETCQYMHSA-N	317.176	1.599	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1	732754912	KYOAUETUCMZCFF-CHWSQXEVSA-N	324.425	1.154	50	20	DDGD	
CCOC(=O)NNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F	495443502	SDZYDONKLIUDHO-UHFFFAOYSA-N	313.285	1.789	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1ccc2c(c1)nnn2C	490662836	DVILVMBGOXGKMI-UKTHLTGXSA-N	313.361	1.418	50	20	DDGD	
O=C(NNc1cccnn1)c1cc(F)cc2nc(S)[nH]c12	736701808	IBUBXOWSLSSSJQ-UHFFFAOYSA-N	304.310	1.538	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cccc2nsnc12	900001354	MWWPZPOJHAMRAQ-UHFFFAOYSA-N	309.420	1.599	50	20	DDGD	
O=C(c1cnc(-c2ccccc2F)s1)N1CC[C@@H](B(O)O)C1	585068662	DCGAPPAHRVSJEY-SECBINFHSA-N	320.154	1.638	50	20	DDGD	
C[C@H]1CN(C(=O)/C(C#N)=C/c2cnn(C)c2)CC2(CCC2)O1	491049587	NJCLUBWMEWWCFZ-VWBIBIBXSA-N	300.362	1.497	50	20	DDGD	
CS[C@@H]1CN(C(=O)[C@]2(C)C[C@@H]2Br)C[C@@H]1N(C)C	907146011	JBGYQSLQHIBKFG-MIZYBKAJSA-N	321.284	1.664	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc2ccccc2c(=O)o1	833244010	ZWPJAYIOYHBDIK-LBPRGKRZSA-N	316.313	1.123	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C(C)(C)c2ccccc2)n(C)n1	731217695	IXMMDNUTHMXGSW-UHFFFAOYSA-N	315.377	1.859	50	20	DDGD	
COCCN(C)NC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C	495813836	JXHPCGWATLSQPT-LLVKDONJSA-N	303.403	1.099	50	20	DDGD	
CC(C)[C@@H](NCc1ccc(B(O)O)cc1)[C@@H](O)c1ccccc1	585038950	NAHBEZSMFWQXFT-MSOLQXFVSA-N	313.206	1.214	50	20	DDGD	
O=C(CNC(=O)N1CCCC1)NNc1ccc2ccccc2n1	901338642	IREIBFOZIYBHHG-UHFFFAOYSA-N	313.361	1.483	50	20	DDGD	
O=C(C[C@H]1C[C@H]2CC[C@H]1O2)NNC(=O)c1cc(Cl)ccc1O	839478333	MIIDBHGXGATVHF-ZDSQKVDBSA-N	324.764	1.764	50	20	DDGD	
CC[C@H](COC)NC(=O)NNC(=O)COc1ccc(C)c(C)c1	739050245	VGSIUJXNXRJWPG-CYBMUJFWSA-N	323.393	1.438	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H]1CCC[C@H](C(=O)O)C1	832977577	UUFWIWQDWVXGPE-RYUDHWBXSA-N	304.346	1.647	50	20	DDGD	
Cn1cc(C#N)cc1C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	833041441	LJIXEEYLOCEVCV-UHFFFAOYSA-N	315.241	1.722	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(S)n1)c1ccccc1C	730586591	NIRZUGGKPCNNTP-UHFFFAOYSA-N	316.386	1.862	50	20	DDGD	
CC(C)(C)[C@H](NC(=O)c1cccc(B(O)O)c1)c1ccco1	584947589	VOLQBHXQYJLTAT-CQSZACIVSA-N	301.151	1.477	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1	836191391	DIKXYHRHTUNDHF-KBUPBQIOSA-N	313.357	1.235	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CCCn2cncn2)ccc1F	909278071	QQBRNKBGHPDWDN-UHFFFAOYSA-N	321.312	1.127	50	20	DDGD	
C[C@]1(C(=O)Nc2cccc(B(O)O)c2)[C@H]2Cc3ccccc3[C@@H]21	584913839	KLZIDTFQRNFVOF-BQFCYCMXSA-N	307.158	1.281	50	20	DDGD	
CO[C@H]1CCOc2c(NCc3ccccc3B(O)O)cccc21	585039902	ZMTKIKVJMANRMP-INIZCTEOSA-N	313.162	1.449	50	20	DDGD	
O=C(COC(=O)C1CC2(CCC2)C1)NNC(=O)c1ccccc1	830652136	NMLLHGOXLKQXKL-UHFFFAOYSA-N	316.357	1.571	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)[C@@H]2CCCCO2)c1C	833262630	XRJIDNAUTLSYLO-NSHDSACASA-N	307.350	1.164	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1ccc(F)cc1C	731314930	YCZQIRPCWYOTJX-CYBMUJFWSA-N	321.396	1.943	50	20	DDGD	
Cc1csc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)c1	837764432	VYQKUXZJXRNGCX-SNVBAGLBSA-N	312.391	1.795	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNC(=O)CCCc1ccccc1	839641601	VFISCNDXYSKTPM-CQSZACIVSA-N	319.405	1.304	50	20	DDGD	
Cc1cc(C(=O)NCB(O)O)c(C)n1-c1cccc(C(C)C)c1	585061941	NJVWLEJASZZIBD-UHFFFAOYSA-N	314.194	1.959	50	20	DDGD	
COc1ccc(COCCC(=O)NNC(=O)NC2CC2)cc1	736073034	ZGPGSZDZTIBXBI-UHFFFAOYSA-N	307.350	1.095	50	20	DDGD	
CC(=NNC(=O)c1c[nH]nc1C)c1cccc(-c2nn[nH]n2)c1	735449469	YYGYSQMIFYHGNE-UHFFFAOYSA-N	310.321	1.052	50	20	DDGD	
O=C(COc1cccc(Cl)c1)NNC(=O)CC(F)(F)F	918365023	WVYXEADJMYZVTJ-UHFFFAOYSA-N	310.659	1.819	50	20	DDGD	
COc1ccc(C(=O)CCCCC(=O)NN(C)C[C@@H](C)O)cc1	910161553	VWVWNJYOHYTJLY-CYBMUJFWSA-N	322.405	1.782	50	20	DDGD	
CNc1cc(C(=O)NNC(=O)c2ccccc2F)cc(Cl)n1	731874541	LNUVNEHKFLYKQA-UHFFFAOYSA-N	322.727	1.991	50	20	DDGD	
CC(C)C[C@@H]1C[C@H]1NC(=O)NNC(=O)c1ccc(C#N)cc1	838753982	CZOGIPHNCXZNNH-ZIAGYGMSSA-N	300.362	1.937	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1c[nH]nc1-c1cc2ccccc2o1	910158414	FGHJZPYXHODHBC-JTQLQIEISA-N	314.345	1.780	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	836822200	FYCAJHAYNKVINI-UHFFFAOYSA-N	314.729	1.606	50	20	DDGD	
COc1cc(F)ccc1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	831202482	GZHIPIAVRJNPPP-WPRPVWTQSA-N	311.313	1.412	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NNc1ncnc2ccsc12	830431094	SQPCPKHPALSOKF-RKDXNWHRSA-N	314.374	1.672	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1	910152141	LYBMHBYEDBIVPG-MNOVXSKESA-N	312.797	1.893	50	20	DDGD	
Cc1cc(F)ccc1[C@@H]1CCCN1CC(=O)NNC(=O)C1CC1	832523047	DXGJRSGZBQNQLI-HNNXBMFYSA-N	319.380	1.828	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)CCC1	746825737	GOFVOYXHYYTFQB-UHFFFAOYSA-N	322.386	1.352	50	20	DDGD	
COc1ccnc(NNC(=O)NCCc2ccc(O)cc2)n1	749347321	SDDAKLYYBPTMPR-UHFFFAOYSA-N	303.322	1.060	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2c(C)nn(C)c2C)c1	915928574	HZRCPDXHQDNHCT-UHFFFAOYSA-N	300.362	1.874	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc3c(c2)OCCO3)n1	747984050	WATWFIDLQSDTMU-UHFFFAOYSA-N	320.736	1.967	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1(c2cccc(Cl)c2)CC1	843645534	RNKDDYMRMOHYAQ-ZWNOBZJWSA-N	322.792	1.944	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccc2c(c1)CCCN2	841302385	OQZFNVFYZXHEKE-UHFFFAOYSA-N	314.349	1.543	50	20	DDGD	
O=C(CCOc1ccccc1)NN=Cc1ccc(O)c(O)c1O	747059009	FIRAIFPBTGKDMB-UHFFFAOYSA-N	316.313	1.723	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC[C@H](OCC)C1CCCC1	747591519	BYMXMVZOWKDSKZ-ZDUSSCGKSA-N	315.414	1.339	50	20	DDGD	
O=C(NCCC1CC1)NNC(=O)c1nnc(O)c2ccccc12	745899615	UIHNYWSXMPSQOX-UHFFFAOYSA-N	315.333	1.080	50	20	DDGD	
CSCCc1ccc(NC(=O)NNC(=O)CCCN)cc1	841102434	CKOMIVSAEUCNQT-UHFFFAOYSA-N	310.423	1.484	50	20	DDGD	
O=C(NNc1ncccc1Cl)[C@H]1CCc2ncncc2C1	844134030	FPSGFXDUNKUEON-VIFPVBQESA-N	303.753	1.773	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccc(O)nc1C	749221928	QQHVTNVIBOTSEY-UHFFFAOYSA-N	315.329	1.108	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(N2CCOCC2)c(C)c1	843848815	CXLFZDPIEHHTDG-UHFFFAOYSA-N	320.393	1.138	50	20	DDGD	
CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)NNC(=O)c1ncccn1	841582126	PCQHZELUUVFIPC-MNOVXSKESA-N	321.381	1.014	50	20	DDGD	
CCCOc1cccc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)c1	917544508	IDNIROJXDJMWOD-ZDUSSCGKSA-N	324.402	1.360	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc2c1OC(C)(C)C2	847094492	BGYNBAAVJYYOEW-JQWIXIFHSA-N	318.373	1.586	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(-n2cccc2)nc1	843652460	JKOBTZPAFXIXLK-YPMHNXCESA-N	314.345	1.058	50	20	DDGD	
CCOc1cc(C=NNC(=O)NCC(F)(F)F)ccc1O	917551404	JUPDTAPLHHMTGV-UHFFFAOYSA-N	305.256	1.986	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)C(F)(F)C(F)F	749335856	SCVZBRIGKYNSLN-UHFFFAOYSA-N	318.230	1.304	50	20	DDGD	
CN(C)CC[C@H](N)C(=O)NNc1c(Cl)cccc1Cl	846670005	TURIDIMFVMBAJC-JTQLQIEISA-N	305.209	1.716	50	20	DDGD	
Cc1cc(C=NNC(=O)CC(F)(F)F)ccc1-n1cncn1	743437220	DNXAHPKFUYZZFX-UHFFFAOYSA-N	311.267	1.978	50	20	DDGD	
CO[C@H](CC(=O)NNc1ncccc1[N+](=O)[O-])C(F)(F)F	846639063	MZDUPKRXXYQGAD-SSDOTTSWSA-N	308.216	1.400	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1cn(C)nc1-c1cccnc1	842560276	ZCGNEIJSWAKJHT-BXUZGUMPSA-N	313.361	1.357	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCC(=O)c1cccs1	843637027	AHGFOMZTUFCVBG-VHSXEESVSA-N	310.375	1.283	50	20	DDGD	
CC[C@@H](N)CNC(=O)NNc1ccc(Br)c(F)c1	842002967	HKJQUAQABQOVMH-SSDOTTSWSA-N	319.178	1.952	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)COc1ccc(OC)cc1	749757547	OISIPEWTSFSCAW-SNVBAGLBSA-N	311.407	1.368	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc2ccsc2c1	843651748	FJZMSENRGRQNCK-WPRPVWTQSA-N	305.359	1.482	50	20	DDGD	
CN(C)c1nccc(NNC(=O)Cc2ccccc2Cl)n1	740103575	SILAYDKTMVIDQG-UHFFFAOYSA-N	305.769	1.882	50	20	DDGD	
O=C(NN=C1CCN(Cc2ccccc2)C1=O)c1ccncc1	743419678	WWUMHGGRCOTDCX-UHFFFAOYSA-N	308.341	1.600	50	20	DDGD	
CCOC(=O)C[C@H](C)SCC(=O)NNC(=O)C(C)(C)C	742453278	DOYOFMBOPDGHBQ-VIFPVBQESA-N	304.412	1.255	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1	748703767	MTWSLPYXGMJRAY-UHFFFAOYSA-N	314.345	1.598	50	20	DDGD	
Cc1cc(C)n(CCC(=O)NNc2nc3ccccc3n2C)n1	848377861	FDJVLHWVBOBANY-UHFFFAOYSA-N	312.377	1.920	50	20	DDGD	
O=C(CSC1CC1)NNc1ncc(Br)cn1	848322684	LCFXXJGJEAIIMO-UHFFFAOYSA-N	303.185	1.578	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C(C)(C)Cc1ccccc1	843651986	QIVINLDOJWSVOO-OCCSQVGLSA-N	304.390	1.828	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cccc2c1OCCCO2	844305117	XIEFIAWIOQNFLI-UHFFFAOYSA-N	315.329	1.261	50	20	DDGD	
CCCN(CCC)c1ccc(NC(=O)C(=O)NNC(C)=O)cc1	845918375	JYIQXTKECKXFKM-UHFFFAOYSA-N	320.393	1.419	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccccc1OCCC(C)C	847503652	RCCQTZRSHOCQMV-UHFFFAOYSA-N	307.350	1.217	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)[C@H]1CCCCO1)c1cccnc1	840489814	UWLLRWIUJKONOE-CYBMUJFWSA-N	320.393	1.259	50	20	DDGD	
C=C[C@@H](C)NC(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	756971245	UUHFVYFVFJPBBY-SECBINFHSA-N	323.349	1.231	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CCO[C@H]2C2CC2)cc(C#N)n1C	928057274	WDVITCHHUJZMMJ-CTLLAADFSA-N	324.384	1.796	50	20	DDGD	
O=C(NN=Cc1ccc(F)c(Cl)c1)C(=O)Nc1ccccn1	755768872	JFSOTQQZBOLFLV-UHFFFAOYSA-N	320.711	1.963	50	20	DDGD	
CC1(C)C[C@H](NC(=O)NNC(=O)c2cccc(F)n2)C(C)(C)O1	852246111	BKDDMZMCZQNLOP-JTQLQIEISA-N	324.356	1.511	50	20	DDGD	
O=C(NCC1CC1)NN=Cc1ccc(-n2cncn2)c(F)c1	920828669	POHBTXFZYUGVAS-UHFFFAOYSA-N	302.313	1.450	50	20	DDGD	
CC(C)Cn1ncc(C(=O)NNc2cnnn2C)c1C1CC1	857272449	AYOOGCPEOZDDSJ-UHFFFAOYSA-N	303.370	1.302	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNC(=O)CC(C)C)[C@]12CCCO2	759319818	FFOZCDAIQZWHAE-YWPYICTPSA-N	313.398	1.090	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2cc3n(n2)CCC3)ccc1C	857264229	SAYXLRAZXDFJMM-UHFFFAOYSA-N	314.345	1.681	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)C[C@@H](C)c1ccncc1	859540529	XXWQEMQEMSOJEK-LLVKDONJSA-N	320.393	1.027	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cc(OC)c(OC)cc1C	751529645	ROTVBLCHKBLUIP-GFCCVEGCSA-N	324.377	1.514	50	20	DDGD	
Cc1noc([C@H](C)NC(=O)NC[C@@]2(C)C[C@@H]2Br)n1	856838462	CFOZPDYHWWAIOT-GEOGLEFRSA-N	317.187	1.912	50	20	DDGD	
C[C@@]1(CNC(=O)CCN2CCCC2=O)C[C@H]1Br	857404863	ZYSRFRIQVPOCCY-SKDRFNHKSA-N	303.200	1.289	50	20	DDGD	
Cn1c(=O)oc2c(NC(=O)NNC(=O)C3CCCC3)cccc21	757758789	XZSZOOMFFOEOLU-UHFFFAOYSA-N	318.333	1.474	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)[C@H]1C	858158691	OXHHAQGFCNGATC-UUIJZJDISA-N	319.405	1.573	50	20	DDGD	
CC[C@@H](C(=O)NN(C)CCOC)N(C)C(=O)OC(C)(C)C	854409568	IIWJXARBWNDMAI-NSHDSACASA-N	303.403	1.241	50	20	DDGD	
NC(=O)c1cccc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)c1	755461443	CRTGDXSYZCCDSW-UHFFFAOYSA-N	312.285	1.458	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNC(=O)c2cccnc2)ccn1	759679569	SUSITSKPXUASOV-UHFFFAOYSA-N	300.318	1.339	50	20	DDGD	
C[C@@H](C[S@](C)=O)NC(=O)NNc1cc(F)cc(Cl)c1	853981688	MRLJYODAZITPQO-IIYDVTGLSA-N	307.778	1.872	50	20	DDGD	
CCCCCCC(C)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	920384920	SIEXSTGSPLYRNR-GFCCVEGCSA-N	303.428	1.819	50	20	DDGD	
O=C(NN=Cc1cccc(Cl)c1)C(=O)Nc1ccccn1	758388254	XXHXOBAGGYZDJZ-UHFFFAOYSA-N	302.721	1.824	50	20	DDGD	
O=C(NC[C@H]1CCc2ccccc2C1)NNC(=O)c1cn[nH]c1	858230476	ZDUUGKCTXANVSF-NSHDSACASA-N	313.361	1.159	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)Cc1cc[nH]n1)c1cccc(Cl)c1	755281422	GPSROHUNVZEWBR-JXMROGBWSA-N	318.764	1.857	50	20	DDGD	
C[C@@]1(CNC(=O)NC[C@](C)(O)C2CC2)C[C@@H]1Br	856956557	RDWWXDMZCCFMMJ-DLOVCJGASA-N	305.216	1.620	50	20	DDGD	
CCn1cc(C(=O)C(=O)NC[C@]2(C)C[C@@H]2Br)cn1	857249505	HHDXQLGAMRRIFL-CABZTGNLSA-N	314.183	1.375	50	20	DDGD	
CC(C)(C)n1nnc(C=NNC(=O)c2ccc3ccccc3n2)n1	853255161	UXNNFKOGHFCUHM-UHFFFAOYSA-N	323.360	1.740	50	20	DDGD	
COc1cc(C)sc1C(=O)NNC(=S)N[C@@H](C)C1CC1	855101030	NPKBVKQNXQVQAJ-QMMMGPOBSA-N	313.448	1.973	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNC(=O)c2ccccn2)cc1	758040203	OEOFNIXAQRVYRG-GFCCVEGCSA-N	313.357	1.730	50	20	DDGD	
CC[C@@H](Cc1ccccc1)C(=O)NNc1ccc(C(N)=O)nn1	757402151	IMMMMTQAAOSGIZ-LBPRGKRZSA-N	313.361	1.288	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc(C(=O)Nc2ccccc2)cc1	758665733	FOGMEBMUCCUATC-UHFFFAOYSA-N	312.329	1.513	50	20	DDGD	
NC(=O)c1csc(C=NNC(=O)NCCc2cccs2)c1	755891146	WZGVZCZWRRYFHY-UHFFFAOYSA-N	322.415	1.784	50	20	DDGD	
CC(C)[C@@H]1C[C@H](C(=O)NNC(=O)NCc2ccco2)CCO1	930732282	FBXOVMVZEXFFFD-YPMHNXCESA-N	309.366	1.561	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCc1nnnn1C1CC1	768198801	JTQUPFLMVIUCLL-SECBINFHSA-N	316.203	1.434	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2cc(C)[nH]n2)c(C2CC2)n1	869015875	CANXDKNSRWFOKB-UHFFFAOYSA-N	313.361	1.303	50	20	DDGD	
C[C@@H](NNC(=O)CN1C(=O)CCc2ccccc21)C(F)(F)F	862313816	OXCCMAFHBAWGQM-SECBINFHSA-N	315.295	1.537	50	20	DDGD	
Cc1cc(=NNC(=O)c2ccnc(O[C@@H]3CCOC3)c2)cc[nH]1	862513092	BSYXIILGDYMRDZ-CQSZACIVSA-N	314.345	1.132	50	20	DDGD	
C[C@H](NNC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O)C(F)(F)F	862307551	MUBRXIULNXMEOB-ZLUOBGJFSA-N	321.221	1.015	50	20	DDGD	
C[C@@H](NNC(=O)c1csc(-c2cnn(C)c2)n1)C(F)(F)F	862309516	LWCYGFNXCVFFDF-ZCFIWIBFSA-N	319.312	1.729	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCCOC2CCOCC2)n1	867924723	XDCAPCQTLFFBAP-UHFFFAOYSA-N	321.377	1.127	50	20	DDGD	
CCC1(CC)C(=NNC(=O)CNC(=O)c2ccco2)C[C@@H]1OC	762605448	WFAOHGAFRLBOFT-ZDUSSCGKSA-N	321.377	1.707	50	20	DDGD	
COc1ccc(NNC(=O)CCCn2nc(C)cc2C)nc1	935535652	DXRPTJHEIJWFQI-UHFFFAOYSA-N	303.366	1.827	50	20	DDGD	
CCCC1(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)CC1	760986509	CCMZEVAILRRYME-STQMWFEESA-N	311.426	1.213	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)Nc1ccc([C@@H]2CCOC2)cc1	861145322	QRXLIYGTFJVWDX-LLVKDONJSA-N	315.333	1.380	50	20	DDGD	
COc1ccc2c(c1)[C@H](C(=O)NNc1nnc(C)c(O)n1)CC2	762840291	DYAQBAUGHDGDDI-LLVKDONJSA-N	315.333	1.067	50	20	DDGD	
COC(=O)c1ccc(/C=C\C(=O)NN[C@@H](C)C(F)(F)F)o1	869377323	WWLPKVWNOACCFH-NGAMADIESA-N	306.240	1.651	50	20	DDGD	
CCc1ccc(O)c(C(=O)NNc2ccc(C(=O)OC)cn2)c1	760791239	UPNJKTGXUFVJET-UHFFFAOYSA-N	315.329	1.893	50	20	DDGD	
O=C(NN=Cc1cnc(C2CC2)s1)C(=O)Nc1ccccn1	761817302	KJCWXEFJDNXZLD-UHFFFAOYSA-N	315.358	1.504	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1cncc(N2CCCC2)n1	867300990	OULQQGPQCNKXQI-UHFFFAOYSA-N	302.313	1.368	50	20	DDGD	
OB(O)c1cccc(CN[C@H]2CCc3ccc(Cl)cc32)c1	863891917	GUPKXPDOTUUZSH-INIZCTEOSA-N	301.582	1.797	50	20	DDGD	
COC1(C=NNC(=O)c2ccnc(N(C)C)c2)CCOCC1	761817226	PUPFKBVVVCCDSU-UHFFFAOYSA-N	306.366	1.059	50	20	DDGD	
OB(O)c1ccc(CNc2ccccc2OCC(F)F)cc1	864022084	MGSXINWBSAHFSY-UHFFFAOYSA-N	307.105	1.622	50	20	DDGD	
O=C(NN=Cc1cc(F)c(F)cc1F)C(=O)Nc1ccccn1	767792162	INOOPAIWOQQJHP-UHFFFAOYSA-N	322.246	1.588	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](C)N(CC)C(=O)OC(C)(C)C	860667841	KESYIRSZLRUVMZ-SNVBAGLBSA-N	316.402	1.324	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CO[C@@H]2CCCC[C@@H]2C)n[nH]1	869012070	FIKYKKWWIXDWJK-GXFFZTMASA-N	308.382	1.003	50	20	DDGD	
Nc1ncccc1C=NNC(=O)c1cc([N+](=O)[O-])ccc1O	764698789	MHNDDLHKDLAFCD-UHFFFAOYSA-N	301.262	1.042	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)NCC1(C)CC1	761725623	GZMNCUZOMIRXKL-UHFFFAOYSA-N	323.418	1.918	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNc2cccc(Br)n2)C1	875903758	NWJGOAIAVQYACI-ZKCHVHJHSA-N	315.171	1.648	50	20	DDGD	
O=C(CCc1nnc(C2CCCC2)o1)NNc1cccnn1	761568830	YBKHOGCUULKEGM-UHFFFAOYSA-N	302.338	1.593	50	20	DDGD	
CCC[C@H](C)N1C[C@@H](C(=O)NNc2ccc(F)cn2)CC1=O	874651177	KPVGXIGVVKRHLN-QWRGUYRKSA-N	308.357	1.701	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H](C)CC(N)=O)cc1C	873761664	DQMVSGIBSXZOMX-SNVBAGLBSA-N	308.407	1.133	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ccc(N(C)C)nc1	777827688	HQFMRUBRZUOKQR-UHFFFAOYSA-N	314.345	1.691	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H](C)CCc2ccc(F)cc2)nc1O	878038231	DEECBSKDBNWXNF-VIFPVBQESA-N	319.340	1.737	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H](N2)[C@H]1C	877182528	NCAHPMNCXNBAFK-JXJLXUTGSA-N	324.856	1.998	50	20	DDGD	
O=S(=O)(CCCCl)N[C@H](CO)Cc1ccc(F)cc1	882031453	GAKQFZDDXWPNHT-LBPRGKRZSA-N	309.790	1.277	50	20	DDGD	
CSc1cccc(C)c1NC(=O)C(=O)NNC(=O)C1CC1	770775265	ZJCHUGGOLOSOTI-UHFFFAOYSA-N	307.375	1.213	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)CCc3ccccc3)nc21	770968013	IXVIGFFSJHKZBH-UHFFFAOYSA-N	312.333	1.145	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@H](C)c1ccc(N)cc1	772297660	WCBHOVFXKXIZTO-QWRGUYRKSA-N	321.377	1.252	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ncn(-c2ccccc2)n1	772843674	GSVVIEHAQOWGGA-UHFFFAOYSA-N	323.360	1.938	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(S(C)(=O)=O)c1)c1ccco1	776535513	DJLJRMWFGXNIRE-SNVBAGLBSA-N	308.359	1.930	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)Nc1cccc2c1CCCC2	877939048	IGQQZASLNNOVHV-UHFFFAOYSA-N	311.345	1.822	50	20	DDGD	
Cc1ccn(CC(=O)NNc2cccc3cnccc23)c(=O)c1	772427852	UFNSUQDJNSDSAA-UHFFFAOYSA-N	308.341	1.848	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1cc(Br)nn1C	779221215	RIGQBAQSFUOBGM-YVMONPNESA-N	314.139	1.279	50	20	DDGD	
N#Cc1ccc(NNC(=O)N[C@H]2CCO[C@H](C3CC3)C2)nc1	888815459	ONWKIHMEEVJYBQ-STQMWFEESA-N	301.350	1.537	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H]2CNC(=O)C2)c1C	770818534	MTIZXNCLHOEAMA-GSHXUFRSSA-N	315.373	1.854	50	20	DDGD	
O=C(CO)NN=Cc1nc(-c2cccc(Br)c2)c[nH]1	776784001	WBAFTLDLZQHQPP-UHFFFAOYSA-N	323.150	1.282	50	20	DDGD	
COCCCN(Cc1ccncc1)S(=O)(=O)CCCCl	881867949	ZADMJXFZSSGQIA-UHFFFAOYSA-N	320.842	1.879	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)C(C)C)ccc1NC(C)=O	770333549	OYHDLAYTDOVUIR-UHFFFAOYSA-N	308.338	1.462	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNc2ccc(C#N)cn2)C12CCC2	889228513	RZIQQPVHHUZKAA-RYUDHWBXSA-N	301.350	1.537	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)CCCS(C)(=O)=O	885125002	HESJLTVDJVOSPI-UHFFFAOYSA-N	304.799	1.916	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cn(C)nc2-c2ccoc2)n1	789888613	RVVAXZBTWJGRKT-UHFFFAOYSA-N	312.333	1.844	50	20	DDGD	
Cc1ccn2cc(C(=O)NNc3ncncc3Cl)nc2c1	781818692	GKKQSFGZKNTBOW-UHFFFAOYSA-N	302.725	1.843	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NC[C@@H]2C=CCC2)c1	883416553	XYHNFNJVANUQKF-CYBMUJFWSA-N	303.362	1.670	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1cccc2cc[nH]c12	788181076	KNJXVIYQFSTVTR-UHFFFAOYSA-N	319.328	1.901	50	20	DDGD	
O=C(NNc1cccc(F)n1)Nc1ccc(-n2cncn2)cc1	1122014378	DQZARDGUJXMRJX-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
NC(=O)[C@H]1CCC[C@H](C(=O)NNc2cccc3cnccc23)C1	787133380	ASDMIAISWSTWKD-RYUDHWBXSA-N	312.373	1.970	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@H]1C1CCCC1)c1cccnn1	883850266	UKVLZIAPWLFGLB-ZDUSSCGKSA-N	303.366	1.486	50	20	DDGD	
Cc1ccccc1-n1nc(C)c(C=NNC(=O)CN(C)C)c1C	884426541	OTJFZDWWYKLZIM-UHFFFAOYSA-N	313.405	1.809	50	20	DDGD	
CC(=NNC(=O)c1cccc(S(C)(=O)=O)c1)c1coc(C)n1	788991602	OMTSBXFQUDIJFO-UHFFFAOYSA-N	321.358	1.541	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2ccc(Cl)nc2)nc1	782146142	ZJRSIUZKXXWDBW-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ccc(O)c(OC)c1	785421395	DDNCWZQBRLAASQ-UHFFFAOYSA-N	316.313	1.944	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1c(Cl)cnn1C	780200881	NTOOPEMAPGQKIY-NSHDSACASA-N	311.817	1.646	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1cc([N+](=O)[O-])ccc1OC(F)F	785462287	LTLDFSVQMSTAFT-UHFFFAOYSA-N	317.248	1.417	50	20	DDGD	
Cn1cc(-c2ccc(C(=O)NNC(=S)NC(C)(C)C)o2)cn1	899998293	JCRHLPBLOQRGMQ-UHFFFAOYSA-N	321.406	1.588	50	20	DDGD	
O=C(CCc1ccc(O)nc1)NNc1cccc([N+](=O)[O-])c1	787459080	SALSRNAVKKVYNX-UHFFFAOYSA-N	302.290	1.771	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C(=O)Nc1ccc2c(c1)OCO2	784848363	IOSMHIGZVMCIOT-UHFFFAOYSA-N	318.264	1.031	50	20	DDGD	
COc1cccc(NNC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1	780769445	HPDFSCIFBUBJIH-UHFFFAOYSA-N	304.262	1.461	50	20	DDGD	
O=C(CCc1ccc(O)nc1)NNC(=O)c1c[nH]c2ccccc12	786700015	IAOSBNBBGNSLSG-UHFFFAOYSA-N	324.340	1.662	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)c2cc(F)ccc2C)o1	782006272	MWIYVFGHPNCSGT-UHFFFAOYSA-N	304.277	1.679	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cnn(Cc2ccccn2)c1	782576467	CNWFEHQRPRTIIH-UHFFFAOYSA-N	302.338	1.135	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1cc2ccccc2nc1O	798305425	OMLHIBBZWVBFAH-UHFFFAOYSA-N	316.386	1.164	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)c1[nH]ccc1C	797991156	HPFAUJUBXLHKBG-UHFFFAOYSA-N	323.374	1.492	50	20	DDGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)N(C)C	792108040	RUSJSCLJQDYFPQ-NSHDSACASA-N	301.346	1.910	50	20	DDGD	
CO[C@@H](C(=O)NNc1ccnc(Br)c1)C1CC1	792335570	OVZLWMKBVYOQDD-SNVBAGLBSA-N	300.156	1.712	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cc([C@@H]2CCCOC2)nn1C	790553220	GBPZAVXGQLSHHU-SNVBAGLBSA-N	309.370	1.123	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1ccn(C)c(=O)c1	798311575	DCUSPMPOXXMJPL-UHFFFAOYSA-N	300.318	1.160	50	20	DDGD	
COC(=O)N(C)N=C1C(=O)Nc2cc3c(cc21)OCCCO3	794959421	BZRBVAJPCGKZAM-UHFFFAOYSA-N	305.290	1.202	50	20	DDGD	
C[S@](=O)C1(CNC(=O)NNc2ccc(Cl)nc2)CC1	799716658	WTSACHLNCKPTTQ-IBGZPJMESA-N	302.787	1.272	50	20	DDGD	
Cc1ccn(-c2cccc(C(=O)NNC(=O)c3ccc[nH]3)c2)n1	1318040477	OXSNSGZAAWCMOK-UHFFFAOYSA-N	309.329	1.584	50	20	DDGD	
COc1ccc2c(c1)C[C@@H](C(=O)NNC(=S)NC(C)C)CO2	1322697097	QWHHWFKVFHFZJX-LLVKDONJSA-N	323.418	1.150	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)N[C@H]1CCCOCC1	1320081319	PXAJUKMQAULWDK-JTQLQIEISA-N	311.769	1.853	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NC[C@]2(C)CCC(=O)N2)nn1	1328135848	HQUMKNPGIPWYOQ-HNNXBMFYSA-N	320.397	1.069	50	20	DDGD	
Cc1ncc(Br)c(C(=O)NNC(=O)C2CCC2)n1	1321535082	VSSFBFYGRSXRAW-UHFFFAOYSA-N	313.155	1.109	50	20	DDGD	
O=C(CCO)NN=C1CCOc2cc(Br)ccc21	1323425168	GIOJQJCZLZEREM-UHFFFAOYSA-N	313.151	1.434	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2ncc(Cl)s2)c1	1322393535	XWKQMFFSKFNIPL-UHFFFAOYSA-N	324.793	1.937	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@H](CC(F)(F)F)C1)c1cn[nH]c1	1334930441	LKJOFLQWOXDZEI-MRVPVSSYSA-N	319.287	1.429	50	20	DDGD	
CCc1cnccc1[C@H](C)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	1332090173	OYBUFXHZRMLVER-MISXGVKJSA-N	320.393	1.460	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccnn2CC(F)F)cc1	1256232683	CCKDHEQLYHDFFL-UHFFFAOYSA-N	324.287	1.232	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H]1C[C@H](C(C)C)c2ccccc21	1336694055	SGJCFUYMOKGBPJ-CHWSQXEVSA-N	319.361	1.374	50	20	DDGD	
COc1ccc(CC(C)=NNC(=O)c2cccnn2)cc1OC	1330891502	SUOFRXWXECQQJJ-UHFFFAOYSA-N	314.345	1.842	50	20	DDGD	
CO[C@H]1CCC[C@H]1C(=O)NNC(=O)c1cccc(N(C)C)c1	1354039683	AMKMYFQYAGISAZ-KGLIPLIRSA-N	305.378	1.329	50	20	DDGD	
C[C@]1(COC(=O)c2coc(C(N)=O)c2)C[C@@H]1Br	1526044077	GINUOUHJEIBSTL-GZMMTYOYSA-N	302.124	1.709	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNc2ccc(C(=O)O)cn2)c1	1600543149	KKHUEALXFVQCQU-LLVKDONJSA-N	315.329	1.999	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)C2(n3cccn3)CC2)c1F	1608936041	VHJVCXCKQGIDJL-UHFFFAOYSA-N	304.281	1.353	50	20	DDGD	
CN(NC(=O)c1ccc(-c2nn[nH]n2)s1)C(=O)OC(C)(C)C	1609281612	PZAZAKABKVDNHW-UHFFFAOYSA-N	324.366	1.440	50	20	DDGD	
COc1cccc(NNC(=O)c2csc(-c3nn[nH]n3)c2)n1	1605321420	DXSIGJFCABARRH-UHFFFAOYSA-N	317.334	1.089	50	20	DDGD	
O=C(O)c1ccc2c(c1)CN(S(=O)(=O)CCCCl)C2	1602421448	LYLGXDRAXSVPGM-UHFFFAOYSA-N	303.767	1.659	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)C(=O)NNc1ccc(F)c(C(=O)O)c1	1604242240	WWBGOSICUIBLRH-VIFPVBQESA-N	320.324	1.579	50	20	DDGD	
CO[C@]1(C(=O)O)CCN(C[C@@H](CBr)C2CC2)C1	1606702956	HSXWGTXTPFSINJ-ZYHUDNBSSA-N	306.200	1.583	50	20	DDGD	
COCCN(CC(C)C)NC(=O)c1cccc(OCC(=O)O)c1	1606884763	NROPUMPQVFGVOW-UHFFFAOYSA-N	324.377	1.399	50	20	DDGD	
Cc1cc(=NNC(=O)[C@]2(C(=O)O)C[C@@H]2c2ccccc2)cc[nH]1	1607695613	KAKSLOZAZUFFGQ-PBHICJAKSA-N	311.341	1.514	50	20	DDGD	
O=C(NN=C1CCc2c(F)cccc21)[C@@H]1CN2CCC[C@H]2CO1	1549319903	XHKCKWKGOIUSGK-ZBEGNZNMSA-N	317.364	1.455	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1ccc(F)cc1F	1549317543	WRHITVLIRZDAMZ-SWLSCSKDSA-N	323.343	1.668	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C[C@H]1CCCO[C@H]1c1cnn(C)c1	1552455260	UDMDKDIPZZBWQM-MYZSUADSSA-N	320.393	1.415	50	20	DDGD	
CC(C)[C@H](N)C(=O)NNC(=O)c1cc2ccccc2cc1O	1575834448	FMZLMLOYGYLTRC-AWEZNQCLSA-N	301.346	1.290	50	20	DDGD	
O=S1(=O)C[C@@H](I)[C@@H](OCC2CC2)C1	158085000	XYESYBHZRNFPGR-SFYZADRCSA-N	316.160	1.014	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2NCC23CCCC3)cc1	1578252625	IILAGQWZZAGGRO-AWEZNQCLSA-N	301.390	1.542	50	20	DDGD	
COc1ccc(Br)c(NNC(=O)[C@H](C)C(=O)O)c1	1574611370	JUIQWFPEUZGZEK-LURJTMIESA-N	317.139	1.622	50	20	DDGD	
CC(C)[C@H](N)C(=O)NNc1cc(C#N)ccc1Br	1573526008	JWIDJBXROVKSLX-NSHDSACASA-N	311.183	1.747	50	20	DDGD	
CCNC(=O)N(C)N=Cc1ccc(N2CCC(C(=O)O)CC2)o1	1589908656	ITALWQSDWAYGIR-UHFFFAOYSA-N	322.365	1.576	50	20	DDGD	
CCC(=NNC(=O)NCC1CC1)c1ccc(-c2nn[nH]n2)cc1	1590358950	LXCMQYAZYGJWPW-UHFFFAOYSA-N	313.365	1.690	50	20	DDGD	
C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843362148	FUZHLOQYEXWRLO-QWRGUYRKSA-N	318.776	1.315	50	20	DDGD	
CCc1nnc(C(=O)NNc2ccc(C(=O)O)cc2F)s1	1597724316	LCKHLZMPYZBRJK-UHFFFAOYSA-N	310.310	1.695	50	20	DDGD	
O=C(O)CC[C@H]1C[C@@H](C(=O)NNc2cc(Cl)ccn2)CO1	1595004862	LDYOJQXHMOTZHQ-SCZZXKLOSA-N	313.741	1.448	50	20	DDGD	
CCc1ncc(NC(=O)NNc2ncccc2C(=O)O)cn1	1593653896	GKENIGWXTPBARA-UHFFFAOYSA-N	302.294	1.281	50	20	DDGD	
COc1cccc(NNC(=O)c2ccccc2CCC(=O)O)n1	1599679854	LVIGPTFRWJZCKH-UHFFFAOYSA-N	315.329	1.864	50	20	DDGD	
CN(C)Cc1ccc(C(=O)NNc2ccccc2C(=O)O)cn1	1598249206	WZCVEXKJQAKZMT-UHFFFAOYSA-N	314.345	1.598	50	20	DDGD	
CN(CCNC(=O)CCCC[C@@H]1CCSS1)CC(=O)O	1598490572	JIDJCWLCXXSNRE-LLVKDONJSA-N	320.480	1.833	50	20	DDGD	
N#C/C(=C\c1cc[nH]c(=O)c1)C(=O)Nc1ccc(C(=O)O)cc1	1776129931	AYVNFNARRUKBQJ-KPKJPENVSA-N	309.281	1.619	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CC2)c2cnn(C(C)C)c2n1	11776439	MUKLTDZWHNMMPI-UHFFFAOYSA-N	301.350	1.492	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)O)C2	1793684522	FFQKJDXRAWUXIH-UJPOAAIJSA-N	316.829	1.413	50	20	DDGD	
CCOc1cc([N+](=O)[O-])c(C(=O)NNC(=O)C2CC2)cc1OC	15663293	SRTBNEFFTKMFDF-UHFFFAOYSA-N	323.305	1.173	50	20	DDGD	
C[C@H]1CC(=O)CC[C@@H]1C(=O)NNC(=O)c1cccc(N(C)C)c1	158801396	YJMMDCOKYURAIB-NHYWBVRUSA-N	317.389	1.519	50	20	DDGD	
COCCOCCNS(=O)(=O)c1ccc(CCCl)cc1	44414713	DADBCZGPKIPKNV-UHFFFAOYSA-N	321.826	1.409	50	20	DDGD	
CN(NC(=O)[C@@H]1CCCC12OCCO2)C(=O)OC(C)(C)C	495929189	MBHZXHIMWPOGDP-JTQLQIEISA-N	300.355	1.428	50	20	DDGD	
CCN(Cc1ccccc1)C(=O)CNS(=O)(=O)CCl	830181737	VQEQOTLQWKWENK-UHFFFAOYSA-N	304.799	1.151	50	20	DDGD	
O=C(Cc1csc(N2CCOCC2)n1)NN=C1CCCCC1	7279624	WYINUQCIQDQYSB-UHFFFAOYSA-N	322.434	1.959	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccccc1OC(F)F	103425410	QIUDSGADCOQFHL-UHFFFAOYSA-N	321.283	1.687	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN(Cc2ccccc2)C1)C1CC1	57128121	WFDTUJPXYQWHPB-HNNXBMFYSA-N	301.390	1.456	50	20	DDGD	
O=C(CN1CC[C@H]2CCCC[C@@H]2C1)NNC(=O)c1ccccc1	8266396	YDPZDJVLUGOALB-GDBMZVCRSA-N	315.417	1.960	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1	103403043	MQJKBUYQTMXUGP-UHFFFAOYSA-N	324.296	1.470	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC(C)C)c2c(C)nn(C)c2n1	25170388	AHYZPSOYQNYLOL-UHFFFAOYSA-N	303.366	1.392	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ncoc1-c1ccccc1	112040675	MCZGTXZYCRLXAH-UHFFFAOYSA-N	310.313	1.755	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1cnc(C)cn1	69158032	WPTHTXPKXSFFEA-UHFFFAOYSA-N	314.345	1.187	50	20	DDGD	
O=C(NNC(=O)c1ccc(F)c(C(F)(F)F)c1)NC1CC1	67236116	AWPOTXJYUKUACW-UHFFFAOYSA-N	305.231	1.951	50	20	DDGD	
O=C(NNC(=O)c1cnn(-c2ccccc2)c1)Nc1cccnc1	113361847	NKCPMEVOWGTZHR-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
Cc1cc(NNC(=O)c2cncc(Br)c2)ncn1	172279385	GLJIUOBMGMUSTQ-UHFFFAOYSA-N	308.139	1.699	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NC[C@H]1CC=CCC1	69208849	UHCAWUWHMGQSFX-ZDUSSCGKSA-N	317.389	1.924	50	20	DDGD	
COc1ccnc(C(=O)NNC(=O)c2cccc(N(C)C)c2)c1	115974004	UFILHMDCNRKLMZ-UHFFFAOYSA-N	314.345	1.231	50	20	DDGD	
Cc1ccc(S(N)(=O)=O)cc1C(=O)NNc1ccccc1	171861609	ZTJGEDZEFWVSRB-UHFFFAOYSA-N	305.359	1.399	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H]2CCN(C3CCCCC3)C2)n1	177656269	INHBNFANCHSEPE-GFCCVEGCSA-N	319.409	1.583	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNc1ccc(Cl)nn1	118498446	FAGKOVRMMCTPBY-UHFFFAOYSA-N	311.754	1.065	50	20	DDGD	
Cc1coc(C(=O)NNC(=O)CNC(=O)c2cccs2)c1C	1346880563	MIPMLZZVJFUBAL-UHFFFAOYSA-N	321.358	1.149	50	20	DDGD	
Cc1ccccc1[C@H](C)CC(=O)NNC(=O)C(=O)NC(C)C	116166168	QWTLWGARDXSVPZ-GFCCVEGCSA-N	305.378	1.161	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CCC(F)(F)F)c1O	175618685	QYEBXCBOCQLGCT-UHFFFAOYSA-N	306.240	1.504	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc2ccccc2cc1O	60622148	COYQHXMLPKYQJK-UHFFFAOYSA-N	309.325	1.959	50	20	DDGD	
Cn1cc(CCCNC(=O)NNc2ccc(Cl)nn2)cn1	171260362	OJDYTCAHLJCZKU-UHFFFAOYSA-N	309.761	1.122	50	20	DDGD	
O=C(NNC(=O)c1occc1Br)c1ccncc1	177598427	PXIUVJHQFPOGGG-UHFFFAOYSA-N	310.107	1.512	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@]1(C(F)(F)F)CCCN1	1262594604	WPNDDEVTNYEYHM-NSHDSACASA-N	310.320	1.047	50	20	DDGD	
NC(=O)c1ccc(OCCC(=O)NNc2ccncc2)cc1	183019363	KQTMIYKAWACOGV-UHFFFAOYSA-N	300.318	1.093	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)CCOC(C)C	73521493	FOSGUJJMEPWYRL-UHFFFAOYSA-N	304.350	1.219	50	20	DDGD	
Cc1ccc([C@H](CNC(=O)NNc2cccnn2)N(C)C)cc1	77662183	OMZAQACGLQCPAJ-AWEZNQCLSA-N	314.393	1.714	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccc(F)c(Cl)c1	122330002	QYTUIVFTELOVPY-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1ccc2[nH]ccc2c1	184713267	WODNRPKJCHITHW-UHFFFAOYSA-N	309.329	1.958	50	20	DDGD	
C[C@@H](C#N)CNC(=O)NNC(=O)Cc1cccc2ccccc12	182831518	PLBQFNCRSRNJEK-LBPRGKRZSA-N	310.357	1.872	50	20	DDGD	
CC(C)(C)[S@@](=O)CCNC(=O)/C(C#N)=C\c1ccc(O)cc1	188478614	KNVBJDJGYPKZKJ-JQCPSUHGSA-N	320.414	1.963	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)NCc2ccco2)cc(O)n1	180880412	NPTJGTFZIAPRRR-UHFFFAOYSA-N	318.333	1.648	50	20	DDGD	
COc1ccc2nc(NNC(=O)CN(C)C(C)=O)c(C)cc2c1	183169662	IKEDQDOOLDJHTR-UHFFFAOYSA-N	316.361	1.473	50	20	DDGD	
Cc1ccnc(NNC(=O)CNC(=O)CCC2CCCC2)c1	88422389	PKLYUMLWRVJONY-UHFFFAOYSA-N	304.394	1.920	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccc(Cl)cc1)c1nncn1C	46964562	VNDNEMVKAIKGBV-MRVPVSSYSA-N	322.756	1.174	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)C[C@@H]2CCCOC2)c1	193764182	GPYVUZUQAPKSGX-NSHDSACASA-N	312.391	1.350	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2cc(C)ccc2F)c1	190047092	QIJHWMPQXGYQTM-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
O=C(NCc1cccc([N+](=O)[O-])c1)NNC(=O)c1ccc[nH]1	194489629	MTKCUIFHDWCPAQ-UHFFFAOYSA-N	303.278	1.067	50	20	DDGD	
C[C@H](Sc1ccccn1)C(=O)NNC(=O)NC1CCCC1	84971542	WJOYMSZCXKZZKZ-JTQLQIEISA-N	308.407	1.835	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)[C@@H](c1ccccc1)C1CC1	130303760	QBUOVHURXVLMPN-LBPRGKRZSA-N	308.345	1.990	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)C#Cc2ccccc2)c1	80494783	VVRYJILESVIYIY-UHFFFAOYSA-N	307.353	1.565	50	20	DDGD	
CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)C(C)(C)O	192927955	LZFLKWKWPJAKIP-LLVKDONJSA-N	308.378	1.497	50	20	DDGD	
N#Cc1ccc(CSCC(=O)NNC(=O)c2ccc[nH]2)cc1	97358257	NAVBUGCPPDWUIC-UHFFFAOYSA-N	314.370	1.581	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1cnccn1)N1C[C@H](C)O[C@H](C)C1	246710999	LISUDUHFBFZLMI-MBNYWOFBSA-N	307.398	1.054	50	20	DDGD	
O=C(NN=Cc1cccc(O)c1O)c1cccc([N+](=O)[O-])c1	252460378	DXNWKAFGRKOFPN-UHFFFAOYSA-N	301.258	1.770	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)CCCC3CCCC3)nc21	269290448	DZGIDPLTFFYTDX-UHFFFAOYSA-N	318.381	1.873	50	20	DDGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCCN(C(N)=O)CC1	267527445	ORERCZOKZAKZIK-LHHJGKSTSA-N	315.333	1.546	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)N[C@@H]1CCOC2(CCC2)C1	269335861	OXZIUBURCKBXRH-LLVKDONJSA-N	319.361	1.438	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)C1CCC1)C(=O)c1cccc(F)c1	266812306	GHFHYDNARXLEBL-SNVBAGLBSA-N	306.337	1.982	50	20	DDGD	
CN1C(=O)C[C@H](C(=O)NNC(=O)OC(C)(C)C)c2ccccc21	363464709	RBUGLYKYOIYWBQ-NSHDSACASA-N	319.361	1.693	50	20	DDGD	
CNC(=O)NNC(=O)CCc1ccc(C)cc1Br	274590266	ARKZRBDOLFHGLB-UHFFFAOYSA-N	314.183	1.650	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CN1CCc2ccccc2C1=O	278865085	BHCBQHAFTVUSOD-UHFFFAOYSA-N	319.361	1.241	50	20	DDGD	
COc1ccc(NNC(=O)[C@@](C)(O)Cc2ccccc2)nc1	275573236	NTMUHTPKIDYCFP-INIZCTEOSA-N	301.346	1.527	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCS1(=O)=O	275084838	SSZNXJIUGDCYHN-LLVKDONJSA-N	313.335	1.005	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2n[nH]c3c2CCCCC3)n1	279870126	VYPTZSKCBPXBCB-UHFFFAOYSA-N	313.361	1.457	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc(C(=O)NC2CC2)cc1	270177525	IQWQHMLLEKIQEO-UHFFFAOYSA-N	301.346	1.140	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)NOC2CCCC2)cc1	271695935	GCWJLRCJUQNXSY-UHFFFAOYSA-N	318.333	1.142	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCC(NC(N)=O)CC1	273113194	CPDBLDNZJLQESO-XFXZXTDPSA-N	316.336	1.392	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CC(C)(C)C#N)cc1	278288130	QYMSPZMLEILWAD-UHFFFAOYSA-N	303.362	1.715	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc2c(c1)CCC(=O)N2C	270221640	HXJISNNUSCJGDU-UHFFFAOYSA-N	303.362	1.403	50	20	DDGD	
CC[C@@H]1C[C@H](CC(=O)NNC(=O)c2ccc(C#N)cc2)CCO1	273169813	KITWGVJYLJBHQD-UKRRQHHQSA-N	315.373	1.915	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c[nH]1	272246768	ULJLHMPUOIQYOW-UHFFFAOYSA-N	312.373	1.864	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)[C@@H]2CCCS2)c1	272029411	OVNBEINUIJGOJQ-NSHDSACASA-N	300.405	1.429	50	20	DDGD	
O=S(=O)(CCCCCl)NC[C@@H]1COC2(CCCC2)O1	376967103	JVUOFRYJCHFOGR-LLVKDONJSA-N	311.831	1.611	50	20	DDGD	
CN(C)[C@@H](CNC(=O)CN1CC=C(C#N)CC1)c1ccccc1	274671220	SUVNSGWOLUXLPK-KRWDZBQOSA-N	312.417	1.561	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@H]1CCCN1Cc1ccccn1	371847929	QFQBSCZVYQGLSH-CYBMUJFWSA-N	320.393	1.602	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNC(=O)COc1ccc(C)cc1	288999289	DSZBFQCQFLBVQR-LBPRGKRZSA-N	322.361	1.111	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1cccc2c1COC2=O	289656607	LYILWCRYTQMEKX-UHFFFAOYSA-N	307.306	1.918	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cnc3n2CCCC3)cc1	371020838	ZMXUBJJZIZCWJE-UHFFFAOYSA-N	309.329	1.166	50	20	DDGD	
O=C(NNc1ncccc1F)[C@H]1COCCN1CC1CCC1	285975687	MMPZELLKKPCAMD-CYBMUJFWSA-N	308.357	1.165	50	20	DDGD	
NC(=O)[C@@H]1CC[C@@H](C(=O)NNc2ccc(C(F)(F)F)cc2)O1	281107723	HEGTYGYASBKWIW-UWVGGRQHSA-N	317.267	1.181	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H](C)Oc2ccc(C=O)cc2)n1	285604676	WEGCZEFJNNODRF-LBPRGKRZSA-N	314.345	1.817	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)[C@H]1CCCN1c1ccccc1	370596122	CYKGXUBJMDZVOL-GFCCVEGCSA-N	323.360	1.465	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)C(C1CCC1)C1CCC1	285890933	AUXDAGGOSOTCRX-UHFFFAOYSA-N	301.390	1.988	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CCn2cccc2)cc1	802053317	OCSCDCVVVNLMCC-UHFFFAOYSA-N	302.334	1.740	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2cccc(F)n2)c1C	807391799	KWHDGEZYHGCXLX-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
CC[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CCCCO1	295287166	DCZPCOIQUWJSPW-JSGCOSHPSA-N	324.352	1.700	50	20	DDGD	
O=C(NNc1cccnn1)[C@H]1CC(c2c(F)cccc2F)=NO1	803099690	ZHWXONCEDDRPOD-LLVKDONJSA-N	319.271	1.391	50	20	DDGD	
C[C@H]1C[C@H](C)CN(C(C)(C)CNC(=O)NNc2ccncn2)C1	296163338	AOUIOYDNHUKCOH-STQMWFEESA-N	320.441	1.859	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cccc3c2CNC3=O)cc1	806997097	DKPMDZXWRQTOTG-UHFFFAOYSA-N	324.340	1.320	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NNC(=O)CNC(=O)c2ccco2)C[C@H]1C	294559160	NGFLGXJXYTVMSH-UTUOFQBUSA-N	321.377	1.229	50	20	DDGD	
CC(C)(C)OC(=O)NC(C)(C)C(=O)NNC(=O)c1ccc[nH]1	299279703	BJENKFCLTXUNMJ-UHFFFAOYSA-N	310.354	1.079	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)Nc1ccc(OC)cc1	802055668	QNEGDFFTFSZRMW-GXFFZTMASA-N	309.366	1.909	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc(F)c(F)c1F	295609139	QOEOFTBVUFUCSX-VIFPVBQESA-N	302.252	1.434	50	20	DDGD	
Cc1nc(C2CC2)ccc1C(=O)NNC(=O)[C@@H]1CCCCO1	295316518	GGTPRRHNDQMGIA-AWEZNQCLSA-N	303.362	1.598	50	20	DDGD	
Cc1ccc(CC(=O)NNc2ccc(-n3ccnc3)nn2)cc1O	804954034	AJTKSBRMJOTIFF-UHFFFAOYSA-N	324.344	1.362	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCCC(F)(F)C1	800284020	YOCJRCPHBBOADF-BDAKNGLRSA-N	306.309	1.301	50	20	DDGD	
Cc1nnc(CCNC(=O)/C(C#N)=C\c2ccc(F)cc2)n1C	803173739	QQTIOCYUOSBDQW-LCYFTJDESA-N	313.336	1.529	50	20	DDGD	
COCCCOc1ccc(C(=O)NNc2ncncc2F)cc1	294069739	QENUYRHTFHNUCP-UHFFFAOYSA-N	320.324	1.788	50	20	DDGD	
CC[C@H](C)CCC(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1	806341102	ZWEFFIPPUDRZMD-MELADBBJSA-N	313.442	1.459	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C(Cn1cccn1)C(C)C	802708209	HYSLAGGXJYNHOR-UHFFFAOYSA-N	306.395	1.672	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802121817	QSVBYESOWAWEDI-UHFFFAOYSA-N	320.393	1.888	50	20	DDGD	
CCCN(NC(=O)c1cn(CCC)nn1)C(=O)OC(C)(C)C	804594706	NTFCTSIPCZAVIM-UHFFFAOYSA-N	311.386	1.980	50	20	DDGD	
C[C@@](C#N)(CC(=O)O)C(=O)NNc1cc(C#N)cc(Cl)n1	819846372	BBZJIYWADNIXHI-LBPRGKRZSA-N	307.697	1.054	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNc2ccc(C#N)cc2)nc1	815851466	HXGZPLPVVSNBEK-UHFFFAOYSA-N	310.313	1.887	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccn1	816808283	JEWNLOOIMPMWJB-OAHLLOKOSA-N	324.384	1.365	50	20	DDGD	
C[C@H]1C(=NNC(=O)C(=O)Nc2ccccn2)CC[C@H]1CC(=O)O	814869607	QSPLVNSFKOFDTF-ZJUUUORDSA-N	318.333	1.013	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1cc(Cn2cccn2)on1	816027723	KADXIRZLFRHXRD-UHFFFAOYSA-N	302.269	1.210	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N2CC[C@@H](n3cccn3)C2)c1	812882842	NETBSQKCZUOEPJ-CQSZACIVSA-N	324.344	1.056	50	20	DDGD	
Cc1nc(CC(C)C)c(C(=O)NNC(=O)c2ccnnc2)s1	817693294	MGVXIPYQZYBFRQ-UHFFFAOYSA-N	319.390	1.515	50	20	DDGD	
CC(=NNC(=O)N=c1cc[nH]cc1)c1ccc(OCC#N)cc1	815002567	HCULGTMSQPZYIL-UHFFFAOYSA-N	309.329	1.952	50	20	DDGD	
Cc1nsc(C)c1C(=O)NNc1nc(-c2ccncc2)no1	815237780	RIMMSQLXXXSCGP-UHFFFAOYSA-N	316.346	1.962	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccccc2[N+](=O)[O-])n1C	814697167	BIKOCDFZOFHNAL-UHFFFAOYSA-N	318.289	1.477	50	20	DDGD	
COCCN(C)NC(=O)c1sc(-c2cnn(C)c2)nc1C	816560068	CWUQLWSHIFSHSD-UHFFFAOYSA-N	309.395	1.075	50	20	DDGD	
Cc1nn(C)c2ncc(C=NNC(=O)Cc3cccnc3)cc12	728786548	MIRUFJLWPAJQFT-UHFFFAOYSA-N	308.345	1.365	50	20	DDGD	
CN(NC(=O)CCn1c(=O)oc2cc(Cl)ccc21)C1CC1	819643203	ZTGMXIXDXCENQK-UHFFFAOYSA-N	309.753	1.763	50	20	DDGD	
Cc1ccccc1OCC(=O)NNC(=S)N[C@@H](C)C1CC1	727270357	JRLSCSBMHWHLQZ-NSHDSACASA-N	307.419	1.668	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(C)[nH]n2)c(C(C)C)n1	828006317	MVYOWEDFHWJLFC-UHFFFAOYSA-N	301.350	1.620	50	20	DDGD	
CN(NC(=O)Nc1ccccc1C(=O)N1CCOCC1)C1CC1	824026265	LJIIMMZBIWLISG-UHFFFAOYSA-N	318.377	1.290	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1	823939317	IYVGYUDSJMNCQZ-PRHODGIISA-N	321.204	1.761	50	20	DDGD	
CC(C)(F)CCNC(=O)NNC(=O)COc1ccccc1C#N	822094038	GJKQRJWGPBAOEP-UHFFFAOYSA-N	322.340	1.406	50	20	DDGD	
CCO[C@@H]1C[C@H](N(C)CC(=O)NNC(=O)C(C)C)C12CCC2	828058772	FDJOARXJDGPDPC-QWHCGFSZSA-N	311.426	1.069	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNC(=O)NC2CCCCC2)s1	726765231	ICXWZDWGRDQYHN-UHFFFAOYSA-N	310.379	1.124	50	20	DDGD	
CCCc1nc(C)c(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)o1	826855762	HBVYECKEISXYTA-QWRGUYRKSA-N	324.381	1.191	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCc1ccc2ccccc2c1O	823916971	CAEXAQJVFCXNJF-GFCCVEGCSA-N	302.374	1.822	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@H](C)c1c(F)cccc1Cl	828704222	PSSOWBHATWYUAX-SECBINFHSA-N	315.776	1.933	50	20	DDGD	
Cc1oc(C(C)(C)C)cc1C(=O)NNC(=O)c1ncccn1	822903460	OBMXTLYZRCKZBY-UHFFFAOYSA-N	302.334	1.750	50	20	DDGD	
CC(C)CN1C[C@H](C(=O)NN(C)C(=O)OC(C)(C)C)CC1=O	496864193	NMGYXLKVCLISBD-LLVKDONJSA-N	313.398	1.389	50	20	DDGD	
CSCc1nc2ccccc2n1CC(=O)NN(C)[C@@H](C)CO	823983107	LBJUWQTYSUAROY-NSHDSACASA-N	322.434	1.243	50	20	DDGD	
CCN(CCO)NC(=O)c1cnn(Cc2ccccc2)c1C	823846974	PVPPZROVJNAOKO-UHFFFAOYSA-N	302.378	1.199	50	20	DDGD	
C[C@H](Cc1cccc(O)c1)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	825885448	MXUOMPNILXPTSS-GYSYKLTISA-N	321.377	1.079	50	20	DDGD	
CCn1nccc1NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	490969660	FDVULTYSIALLQM-NTUHNPAUSA-N	308.345	1.967	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(OCC(F)(F)F)cc1	823976511	FJCRFZKFVAYHMO-SECBINFHSA-N	306.284	1.585	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1	822572333	KLXUCVRBNLZWNH-GFCCVEGCSA-N	306.322	1.727	50	20	DDGD	
Cc1ccccc1-c1noc(C)c1C(=O)NN(C)[C@H](C)CO	823928637	PQAOVWBBCAJABX-LLVKDONJSA-N	303.362	1.916	50	20	DDGD	
CCSCCC=NNC(=O)c1cccc(-c2nn[nH]n2)c1	825674705	QTNKOAZJZXRGOU-UHFFFAOYSA-N	304.379	1.726	50	20	DDGD	
O=C(NCCCNc1ccccn1)NNc1ccc(F)cn1	736388078	ODQRXIUXBRNMBD-UHFFFAOYSA-N	304.329	1.744	50	20	DDGD	
CCNc1nnc(S[C@H](C)C(=O)NNC(=O)CC)s1	731905982	JNQKPOXTEQOXCC-ZCFIWIBFSA-N	303.413	1.008	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H](C)C(C)C)o1	735939778	SOGSXUVAVJWQDR-MRVPVSSYSA-N	307.358	1.713	50	20	DDGD	
COc1ccc([C@@H](C)[C@@H](C)NCc2ccc(B(O)O)o2)cc1	585026083	IICWUDFJTRTTHV-NWDGAFQWSA-N	303.167	1.250	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1csc(-c2ccccn2)n1	732141450	REFGZDYULNSTBV-UHFFFAOYSA-N	302.359	1.766	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)OC(C)C)cc1-c1nn[nH]n1	737076768	PBTAJYWRNUIVDD-WDZFZDKYSA-N	313.317	1.734	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1ccc(OC)c(C(=O)OC)c1	730960784	WEPYJBAOEKVLTI-BENRWUELSA-N	318.329	1.542	50	20	DDGD	
CC(CCc1ccc(O)cc1)=NNC(=O)[C@@H]1CCS(=O)(=O)C1	730576071	LMXXULUCKFNGFM-CYBMUJFWSA-N	324.402	1.252	50	20	DDGD	
CON1CCC(NC(=O)/C(C#N)=C\c2ccc(O)cc2)CC1	491044165	BMDGJWIDVFOELN-RAXLEYEMSA-N	301.346	1.441	50	20	DDGD	
C[C@@]1(C(=O)Nc2ncc(CCO)s2)C[C@H]1Br	908233068	SGWALUXAPZGUFK-GMSGAONNSA-N	305.197	1.790	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)C	496022291	PCPSVQXTSHBCJU-JTQLQIEISA-N	301.387	1.293	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)cc1	908054659	YORNKBDBEUIDPM-IACUBPJLSA-N	316.361	1.130	50	20	DDGD	
CCO[C@H]1CCCC(=NNC(=O)CNC(=O)c2cccnc2)C1	905454770	PLOXQRUIBITLJX-AWEZNQCLSA-N	318.377	1.263	50	20	DDGD	
OB(O)c1ccc(CNCC2(c3ccccc3F)CC2)c(F)c1	585027565	BJOMOIPTXGQWEM-UHFFFAOYSA-N	317.144	1.466	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NNC(=O)CC2CC2)C1	496680922	JHUIFTODPXAKHQ-PHIMTYICSA-N	311.382	1.237	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H]1CCOC2(CCC2)C1	908051477	PJOLCXRPFKQOIV-LLVKDONJSA-N	304.350	1.006	50	20	DDGD	
Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(B(O)O)cc2)cc1	584927111	LZIKBNUAFDQNGI-KRWDZBQOSA-N	309.174	1.652	50	20	DDGD	
Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2ccc(B(O)O)cc2)c1	584960279	PGMJAAIKEFGJLH-SFHVURJKSA-N	323.201	1.961	50	20	DDGD	
CC(C)(C)[C@@H]1CCCN(C(=O)c2cccc(B(O)O)c2)CC1	584949878	GQBUFXQINMBNMK-CQSZACIVSA-N	303.211	1.655	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cccc(-n2cccn2)n1	736543716	PASUBEZTHNHVIO-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
CCC(C)(C)OCC(=O)NNC(=O)COc1ccc(F)cc1	837310236	KAZFQFOLLNYWIQ-UHFFFAOYSA-N	312.341	1.557	50	20	DDGD	
CC[C@@H](NCc1ccc(B(O)O)o1)C(C)(C)c1ccccc1	585025305	QUHBLVGOFWVHLB-OAHLLOKOSA-N	301.195	1.805	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H](C)c1cnccn1)c1ccccc1	906643074	ROAONQQEQDSDPJ-JSGCOSHPSA-N	312.373	1.921	50	20	DDGD	
C[S@](=O)Cc1cccc(C(=O)NNc2ccc(Cl)nn2)c1	735688436	WNKDLDIPKNOYHK-NRFANRHFSA-N	324.793	1.765	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=O)NCc2ccc(Cl)cc2)CC1	830767644	BFFDTIAEQNQTNM-UHFFFAOYSA-N	323.780	1.930	50	20	DDGD	
O=C(NNC(=O)C1(c2ccccc2Cl)CCC1)c1ncon1	832830528	PTFZSANYKMJZAU-UHFFFAOYSA-N	320.736	1.606	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNC(=O)c2cc3ccccc3o2)C1	838748758	NKJCLLMNEAUILM-TXEJJXNPSA-N	317.345	1.944	50	20	DDGD	
C[C@@H]1CCCCN1[C@H](C)CNC(=O)NNC(=O)c1ccc[nH]1	916446955	FEULLKFEGMRGSE-VXGBXAGGSA-N	307.398	1.222	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNc1cccc(C(=O)OC)c1F	838487428	YNHTWVOZSVDRNW-VIFPVBQESA-N	313.329	1.663	50	20	DDGD	
C[C@@H](OCc1ccccc1)C(=O)NNc1ccc(C(=O)O)cn1	833535333	HJYADKWJRUPENR-LLVKDONJSA-N	315.329	1.828	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CN2[C@@H](C)CC[C@H]2C)cc1F	837050037	CNMXQHXYEZSWTK-PHIMTYICSA-N	323.368	1.928	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H](O)CCSC)cc1F	837057344	DBFRKRHIBWMLIP-NSHDSACASA-N	316.354	1.169	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccccc1Cl)Cc1ccoc1	744389778	KMGAYERKIAEXBD-UHFFFAOYSA-N	321.764	1.826	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)c1C	912452399	UCEKMUMPZTXLCA-DDTOSNHZSA-N	302.330	1.450	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NC[C@H]1Cc2ccccc2O1	918069316	SUXIJPXLLCFPMW-SECBINFHSA-N	317.267	1.273	50	20	DDGD	
Cc1cc([C@@H]2CCCN2CC(=O)NNC(=O)C(C)(C)C)on1	744388878	YJTPHMIKEXARNA-NSHDSACASA-N	308.382	1.313	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccc(CO)cc1	915787605	FJCRQEHJCCRXRB-UHFFFAOYSA-N	323.352	1.664	50	20	DDGD	
COC(=O)COc1ccc(C(=O)NNC(=O)C2CCCC2)cc1	918322502	YPSWSORVDGFKHS-UHFFFAOYSA-N	320.345	1.190	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CNC(=O)c1cccs1)C1CCCC1	749367456	VZJAXXNPUVWBCF-SNVBAGLBSA-N	323.418	1.452	50	20	DDGD	
NC(=O)[C@H]1CC[C@H]1C(=O)NNc1cc(Cl)ccc1Cl	847600069	BAVMOVDARLOQPU-JGVFFNPUSA-N	302.161	1.948	50	20	DDGD	
Cc1cc(C(=O)NN(C)C[C@H](C)O)ccc1Br	910160946	QOERPDWXRBHOAB-VIFPVBQESA-N	301.184	1.715	50	20	DDGD	
Cc1[nH]nc2ncc(C(=O)NNC(=O)CCc3ccccc3)cc12	749847897	DWGWRSLDIPJERC-UHFFFAOYSA-N	323.356	1.660	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@H]2CCC(=NNC(=O)CO)C[C@H]2C1	842530220	IDKAMMHYAXKDOG-MNOVXSKESA-N	311.382	1.118	50	20	DDGD	
CC(C)(C)c1csc(NC(=O)NNC(=O)c2ncccn2)n1	841596136	GYQZMMRXNJFVGU-UHFFFAOYSA-N	320.378	1.697	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=S)NCC1CC1	849252282	ZRANJBDDCXFOLK-UHFFFAOYSA-N	323.418	1.369	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H](C)[C@H]2CCCNC2)cccc1[N+](=O)[O-]	841929280	VJYBVMBXTNPWSU-RYUDHWBXSA-N	321.381	1.917	50	20	DDGD	
CCc1n[nH]cc1C(=O)NNC(=O)COc1cc(C)cc(C)c1	917906884	MJCRQPHCOZYOEF-UHFFFAOYSA-N	316.361	1.429	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNC(=O)C2CCC2)ccc1Cl	847504309	FSBUKIRQEOYNFV-UHFFFAOYSA-N	309.753	1.534	50	20	DDGD	
CCn1nncc1C=NNC(=O)[C@H](C)CN1CCCCCC1	841613921	JCHSERDMKGOONG-CYBMUJFWSA-N	306.414	1.260	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1csc(C(C)(C)C)n1	843648584	REXBMPRPCJJXDS-RKDXNWHRSA-N	311.407	1.627	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCc2c(Cl)cccc21	843658998	GWOCSMIDIIFPJD-OUJBWJOFSA-N	322.792	1.942	50	20	DDGD	
O=C(NNC(=O)c1ccc2ccccc2c1)N[C@H](CO)CCF	846707106	QOIVBEWDPBBXNH-AWEZNQCLSA-N	319.336	1.504	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)COC2CCCC2)cc1	846372559	VMTZIRSFBMSHRB-UHFFFAOYSA-N	306.362	1.804	50	20	DDGD	
Cc1nc(SCC(=O)NNC(=O)C(C)C)c(C#N)c(C)c1C	916560459	MCVUXSDKIIGQMZ-UHFFFAOYSA-N	320.418	1.774	50	20	DDGD	
COc1c(C)cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1C	843663189	VZCYLZFRYPWMRM-YPMHNXCESA-N	306.362	1.498	50	20	DDGD	
O=C(Cc1nc2ncccn2n1)NNc1c(F)cccc1F	748171294	MKJGBFQNHZCCOP-UHFFFAOYSA-N	304.260	1.088	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)c1cn(CCOC)nn1	841434011	ZRXGDBYFIMFWBI-UHFFFAOYSA-N	303.366	1.552	50	20	DDGD	
Cn1cccc1[C@H]1CCCN1CC(=O)NNC(=O)C(C)(C)C	744385889	YKZJLFURNUBZSV-CYBMUJFWSA-N	306.410	1.356	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(C)c1	843649148	TWSBYRBTYCTRGS-OLZOCXBDSA-N	322.430	1.968	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H]1Cc2ccccc21	742036764	OXKPKCNBQWSSGD-AWEZNQCLSA-N	320.352	1.744	50	20	DDGD	
CC[C@@H]1CN(C)CCCN1C(=O)/C(C#N)=C/c1cnn(C)c1	846990229	XOUFNAKOQHEUEO-UJMHRVFCSA-N	301.394	1.270	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](NC(=O)[C@@H](Br)C(C)(C)C)C1	840530311	LBWJZYMZHXOKBK-HRDYMLBCSA-N	306.200	1.864	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H]2CCCN2C(=O)C2CC2)cc1	843894300	GTQLJGKLIUCWEO-HNNXBMFYSA-N	317.389	1.929	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCN(C)C(=O)C2)c1	920431300	WMQDEJHQZHEWNB-LLVKDONJSA-N	320.418	1.181	50	20	DDGD	
CC(=O)c1cccc(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	923098194	REVYSIWEDPXOIG-RISCZKNCSA-N	319.361	1.145	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)N[C@@H]1CCc2n[nH]cc2C1	921512049	ZGSOJEWBPIQGRP-SNVBAGLBSA-N	307.304	1.872	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@@H](c1nc(C)cs1)C1CC1	754201267	XDZZFWRTPUCIFY-JOYOIKCWSA-N	310.423	1.438	50	20	DDGD	
Cc1cccc(C)c1C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	853388262	BISGBAMVYNFLEY-ZBFHGGJFSA-N	301.390	1.617	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1ccn2cc(C)nc2c1	850448245	OAOVIHINRCDUPY-UHFFFAOYSA-N	324.431	1.709	50	20	DDGD	
O=C(CCN1C(=O)CCC1=O)NNc1cc(F)cc(Cl)c1	855619075	CAFDGOHOFUQAPK-UHFFFAOYSA-N	313.716	1.461	50	20	DDGD	
CO[C@@H]1C[C@H](NC(=O)NNC(=O)Cc2ccc(F)cc2)C1(C)C	753424473	DKRFDQOKTORXJT-QWHCGFSZSA-N	323.368	1.512	50	20	DDGD	
COCCN(C)NC(=O)CN(C(=O)OC(C)(C)C)C(C)C	854409989	QHLPSICHRFZVOF-UHFFFAOYSA-N	303.403	1.241	50	20	DDGD	
CC(C)OC(=O)[C@H](C)CNC(=O)NNc1ncc(Cl)cn1	856872339	NGOFFFJJXQZKEM-MRVPVSSYSA-N	315.761	1.344	50	20	DDGD	
CNC(=S)N(C)NC(=O)Cc1cccc(OC(F)(F)F)c1	854922506	AUZPTIZRLYYDJJ-UHFFFAOYSA-N	321.324	1.595	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2nccnc2Cl)[C@H]2CCCC[C@H]2N1	857127499	RIACGLDCUDCGDA-KXUCPTDWSA-N	323.784	1.268	50	20	DDGD	
C[C@H](Cc1cnc[nH]1)C(=O)NC[C@]1(C)C[C@H]1Br	857733263	IGRQAVVCVCPXIG-UISBYWKRSA-N	300.200	1.878	50	20	DDGD	
CCC[C@@H](O)CC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	750069704	YRRIIGQTYBDITD-ZIAGYGMSSA-N	322.405	1.769	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)c2cc[nH]n2)cc1OC	853393179	WZDIMIGULYNWRP-UHFFFAOYSA-N	302.334	1.971	50	20	DDGD	
CCc1nn(C)cc1NC(=O)NNC(=O)c1cccc(C#N)c1	757895405	JIFPPCTWZPFSKX-UHFFFAOYSA-N	312.333	1.321	50	20	DDGD	
CCOCCC(=O)NNC(=S)NCCc1cccs1	753014371	HISMECNWOJFERN-UHFFFAOYSA-N	301.437	1.213	50	20	DDGD	
O=C(CCn1ccnc1)NNC(=O)Cc1cccc2ccccc12	751309122	DOZBIFXEBAEYOS-UHFFFAOYSA-N	322.368	1.817	50	20	DDGD	
CN(CCn1cccn1)C(=O)NC[C@]1(C)C[C@@H]1Br	856900260	VLLUGDKCBBZCQB-JQWIXIFHSA-N	315.215	1.698	50	20	DDGD	
CCCNC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1ccc(O)cc1	750666825	SFOIPRYVWHHFBN-KWJWQAOWSA-N	302.330	1.757	50	20	DDGD	
CC[C@H](C)[C@@H](C)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855833046	HFYZWYAXIOAUCT-NWDGAFQWSA-N	313.442	1.759	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1cccc2c1OCO2	920856042	ZWHPWYBUQGSBRE-UHFFFAOYSA-N	303.274	1.153	50	20	DDGD	
COc1cc(C)cnc1C(=O)NNc1cc(Cl)nc(N)n1	754300339	UHRISIWABSLNTB-UHFFFAOYSA-N	308.729	1.181	50	20	DDGD	
CSCCC=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1	755588244	OTUBXXMWPNKKFN-UPJWGTAASA-N	301.456	1.587	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)Cc2cscn2)c1	854190585	BXESKNHTTPVYTJ-UHFFFAOYSA-N	319.386	1.529	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)N1CCN(C)CC1)c1cccs1	857189366	CKFRSNMITSIZAO-ZHACJKMWSA-N	308.407	1.140	50	20	DDGD	
Cc1ccccc1C[C@@H](C)C(=O)NNC(=O)N1CCOCC1	858906122	OXTUEEUGTHPZJH-CYBMUJFWSA-N	305.378	1.247	50	20	DDGD	
CCC1(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)CC1	750487482	GXYFSHQZAYCRDY-UHFFFAOYSA-N	324.764	1.834	50	20	DDGD	
O=C(NCc1ccc2occc2c1)NNC(=O)[C@H]1CCCCO1	852490682	SICWOCPOQNAEQQ-CQSZACIVSA-N	317.345	1.832	50	20	DDGD	
Cc1cc(CNC(=O)NC[C@]2(C)C[C@H]2Br)on1	856826609	AWVBYLLJWLMOMW-KOLCDFICSA-N	302.172	1.956	50	20	DDGD	
CCN(CC)CCNC(=O)NC[C@@]1(C)C[C@H]1Br	856829606	QUUALQBEYWRUBJ-ZYHUDNBSSA-N	306.248	1.801	50	20	DDGD	
Cc1ccnn1CC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	861569988	FWJNLDVOPOSAPS-UHFFFAOYSA-N	316.365	1.110	50	20	DDGD	
CC(=NNC(=O)CS(C)(=O)=O)c1cc(C)c(F)c(C)c1	863190056	YWHVNSOXTYHCPB-UHFFFAOYSA-N	300.355	1.327	50	20	DDGD	
C[C@@H](C(=O)NNc1nccnc1C1CCC1)[C@H]1CCC(=O)N1	861703092	FTFICDNPXASPBU-MWLCHTKSSA-N	303.366	1.102	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2cn(C3CC3)nn2)ccc1C	863918842	NKJTXHNYVOXETO-UHFFFAOYSA-N	315.333	1.465	50	20	DDGD	
CC[C@@H](C)C(=O)NN=Cc1c(C)nn(CC(=O)OC(C)C)c1C	768359547	FMETZKPYJRNUIL-LLVKDONJSA-N	322.409	1.948	50	20	DDGD	
CC(=O)N(c1nc(C=NNC(=O)c2cn[nH]c2)cs1)C1CC1	863154493	DWIIQPQHKXHGCH-UHFFFAOYSA-N	318.362	1.145	50	20	DDGD	
CCCC(=O)N1CSC[C@H]1C(=O)NNc1cccc(C)n1	862524336	XKLNUJGTKWHWCX-NSHDSACASA-N	308.407	1.535	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)C[C@H]1COC(=O)C1	765402463	QHRUMIWJFOZWJX-CYBMUJFWSA-N	304.346	1.110	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1c(C(F)F)nc2ccccn12	865042840	ZEZWGOCNBOOGSA-UHFFFAOYSA-N	311.292	1.624	50	20	DDGD	
C[C@H](CCCc1ccccc1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1	862462650	ZIKGSBBWISOVTF-OCCSQVGLSA-N	317.389	1.071	50	20	DDGD	
CC(=NNC(=O)CS(C)(=O)=O)c1cc2ccc(C)cc2o1	863186620	FEMQAXHMFCDFRP-UHFFFAOYSA-N	308.359	1.626	50	20	DDGD	
CCCC(=O)N1CCCC[C@H]1C(=O)NN[C@H](C)C(F)(F)F	862312533	OKIUGFFGPCOMCA-ZJUUUORDSA-N	309.332	1.739	50	20	DDGD	
COC(=O)CC1CCC(=NNC(=O)Cc2cc(C)[nH]n2)CC1	863076948	INFNLMMPHCTQRP-UHFFFAOYSA-N	306.366	1.486	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@@H]1CC[C@@H]2SCCS[C@H]21	762627175	HHKGCEXQOISXAO-VWYCJHECSA-N	315.464	1.497	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNc1nc2ccccc2[nH]1	768491886	JCGYTKHGWWYUTI-UHFFFAOYSA-N	306.329	1.896	50	20	DDGD	
O=C1NCC[C@]1(C(=O)NNc1ccc(Cl)nn1)C1CCCC1	863879581	WBJVBCGTUVBIJB-AWEZNQCLSA-N	323.784	1.270	50	20	DDGD	
COC(=O)C[C@H](NS(=O)(=O)CCl)c1cccc(C)c1	867896310	NTBPNBKCMQCTQT-NSHDSACASA-N	305.783	1.715	50	20	DDGD	
COCC(=O)NN=C1CCOc2c(Br)cccc21	761825705	VEMQIDSOKPRTHE-UHFFFAOYSA-N	313.151	1.698	50	20	DDGD	
Cc1cccc(NNC(=O)C(=O)Nc2ccn(C(C)C)n2)n1	861960024	KEBQMAQKQWABLH-UHFFFAOYSA-N	302.338	1.249	50	20	DDGD	
O=C(NNC(=S)NCc1ccon1)c1cccc(Cl)c1	764438199	LLQWRDUTJHULFS-UHFFFAOYSA-N	310.766	1.637	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=C1CCC(O)CC1	761748116	ARUMNFDESFAREI-UHFFFAOYSA-N	300.362	1.752	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	861515114	OZVCVDXFYVYBBG-GARJFASQSA-N	313.279	1.465	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NNC(=O)c1cc2c(s1)CCC2	862993309	NPXSMSPERSGRMU-NSHDSACASA-N	321.446	1.871	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2cn[nH]c2)cnn1C(CC)CC	862470883	XFGZLQPEDZWHAX-UHFFFAOYSA-N	318.381	1.605	50	20	DDGD	
COC(=O)Nc1cccc(NCc2ccc(B(O)O)cc2)c1	864020416	YLRLSKCEQJAWAL-UHFFFAOYSA-N	300.123	1.157	50	20	DDGD	
COCc1nc(C)c(C(=O)NNc2ccnc(N(C)C)n2)s1	760154664	ZCLJIRPMCHTAKC-UHFFFAOYSA-N	322.394	1.211	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccc(N=c2cc[nH]cc2)cc1	760914568	MPLFDZKJIAYODO-UHFFFAOYSA-N	324.319	1.933	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@H]2CCN(C3CCCCC3)C2)cc[nH]1	875743325	TVIVXPWKWFRHAG-HNNXBMFYSA-N	317.437	1.845	50	20	DDGD	
Cc1cc(=NNC(=O)NCCc2cn3c(n2)CCCC3)cc[nH]1	875097319	VKYYIKHUYAWMNS-UHFFFAOYSA-N	314.393	1.214	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cccc(CCCOC(C)=O)c1	879329677	DQDFGCSHOOSENJ-UHFFFAOYSA-N	323.349	1.917	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc[nH]1	875312660	GVSQWQWMQZNPRH-BFHYXJOUSA-N	304.394	1.642	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)N[C@@H]2CC23CCC3)c1	873257906	YTZZCKCXCLFDTK-CYBMUJFWSA-N	319.361	1.590	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)C1CC1)c1cccc(Cl)c1	774874663	KZZVYONGTJXRAO-CYBMUJFWSA-N	309.797	1.938	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnc(C(C)C)nc2C)o1	879112777	SYKBVCKMBIZLNH-UHFFFAOYSA-N	302.334	1.885	50	20	DDGD	
COC(OC)C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	873810404	OPOYBNCSVWQFKM-QMMMGPOBSA-N	312.391	1.253	50	20	DDGD	
CCn1cc(-c2nn(C)cc2C(=O)N2CC=C(C#N)CC2)cn1	779041398	RJHHIZZSBHCWMK-UHFFFAOYSA-N	310.361	1.599	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)C(C)(C)C	772135644	IDENGJNBPWCZKQ-MNOVXSKESA-N	300.399	1.794	50	20	DDGD	
CSCCCCCNC(=O)NNc1nncc(N)c1Cl	1116646001	VBFBPFZIEKHMSP-UHFFFAOYSA-N	318.834	1.872	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)C1CCC=CCC1	874442937	VENYJPUTWJUMPW-UHFFFAOYSA-N	304.346	1.665	50	20	DDGD	
Cc1cccc(NNC(=O)NCCN2CCOCC2(C)C)n1	875228123	VJDCZWUMPSMYBF-UHFFFAOYSA-N	307.398	1.127	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H](O)Cc2ccccc2Cl)n1	772133681	NDJHNPOUZWRGIB-LLVKDONJSA-N	322.752	1.185	50	20	DDGD	
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(F)cn1	770605458	MYOARHLEEUHMFO-UHFFFAOYSA-N	318.264	1.989	50	20	DDGD	
CC(C)NC(=O)NNS(=O)(=O)c1ccc(C#N)cc1Cl	779832452	NGFGPFAPFCPHIN-UHFFFAOYSA-N	316.770	1.113	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)[C@H]1CCc2nnnn2CC1	885113632	HDXMZGTWUAZWOJ-QMMMGPOBSA-N	308.292	1.047	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)CSc1ccccc1O	773097879	QPRFHLMODBHIEK-UHFFFAOYSA-N	320.374	1.162	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C	887151556	BQWUAFAOQXZRAC-JKSUJKDBSA-N	306.362	1.059	50	20	DDGD	
C[S@@](=O)Cc1ccc(CNS(=O)(=O)CCCCl)cc1	882193652	KPEFNUAXYYVURQ-GOSISDBHSA-N	323.867	1.613	50	20	DDGD	
CCOc1ccc(NNC(=O)CN2CCC(CO)CC2)cc1	1120656755	JPTRGUSZEVGZTQ-UHFFFAOYSA-N	307.394	1.233	50	20	DDGD	
CC1(C)CCC(=NNC(=O)CSc2nnc(O)nc2O)C1	783822695	WCSYIQPULXHYMV-UHFFFAOYSA-N	311.367	1.057	50	20	DDGD	
C=CC(C)(C)CC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	880697152	KODDQVZJNZOUOH-UHFFFAOYSA-N	311.426	1.679	50	20	DDGD	
CCOCC(=O)NNC(=O)C(=O)Nc1ccc(C2CCC2)cc1	787548877	HUZPRIZSPHXEHS-UHFFFAOYSA-N	319.361	1.077	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cnc(C)nc1C	780739243	XZRKPFKCXJOGJF-UHFFFAOYSA-N	300.318	1.637	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1	782575453	YJSJFDSGZWVRDV-CYBMUJFWSA-N	307.350	1.663	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1cccc2c1OCO2	788179367	WSKHQSSSKLGFBV-UHFFFAOYSA-N	324.300	1.148	50	20	DDGD	
COCCOCCCNC(=O)[C@H](Br)C(C)(C)C	781069915	GXWNOGNJVUECLL-JTQLQIEISA-N	310.232	1.965	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=Cc1ccc(C(F)F)cc1	794515817	NLISUJRVLNGSKO-UHFFFAOYSA-N	322.271	1.518	50	20	DDGD	
Cn1cc(C(=O)NNc2ncc(F)cn2)c(-c2ccoc2)n1	790006216	WRQMAWNRNKHTDQ-UHFFFAOYSA-N	302.269	1.366	50	20	DDGD	
C[C@@H]1CCC[C@H](OCC(=O)NNC(=S)NC(C)(C)C)C1	899994818	ASWXIKXKBJDDPE-MNOVXSKESA-N	301.456	1.876	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2ncccc2C)[C@]12CCCO2	791038604	MOTJGMPUWLPPPM-XJKCOSOUSA-N	320.393	1.743	50	20	DDGD	
O=C(Cc1ccc2n[nH]cc2c1)NNc1nc2ccccn2n1	793954180	JQVFVSKWZUSRBC-UHFFFAOYSA-N	307.317	1.291	50	20	DDGD	
Cc1cccc(Oc2ccccc2C(=O)NNC(=O)CO)c1	799845336	ZJCGDKZXYDEMES-UHFFFAOYSA-N	300.314	1.541	50	20	DDGD	
CC(C)(C(=O)NNc1ccccc1S(C)(=O)=O)C(F)F	792238756	XKRCGYYMCUAZHG-UHFFFAOYSA-N	306.334	1.825	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)Nc1cccc2c1OCO2	792362836	JHJNOMDUNAZZAB-UHFFFAOYSA-N	312.289	1.607	50	20	DDGD	
O=C(NN=C1CCCc2c1cnn2-c1ncccn1)C1CCC1	793014256	YIQDWXFRSVEZNX-UHFFFAOYSA-N	310.361	1.619	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)Cc2nc(C)cs2)cn1C	790154451	UKDVZZUNARNXMD-UHFFFAOYSA-N	320.374	1.269	50	20	DDGD	
CCn1c(NNC(=O)c2[nH]ccc2C)nc2ccccc2c1=O	797811821	PWYSLRNANCDIFG-UHFFFAOYSA-N	311.345	1.810	50	20	DDGD	
O=C(CCn1cc(Cl)cn1)NNc1nc2ccccn2n1	791254406	ZRFOIRNQBULRDI-UHFFFAOYSA-N	305.729	1.113	50	20	DDGD	
CCN1C[C@@H](C(=O)NNc2ccc(Cl)c(OC)c2)CC1=O	790172442	VVGZHTBGOIKMGN-VIFPVBQESA-N	311.769	1.660	50	20	DDGD	
CC(C)Cn1ncc(C(=O)NNc2cnnn2C)c1C(F)F	1329007522	BLOIPMPWTMUUGM-UHFFFAOYSA-N	313.312	1.362	50	20	DDGD	
O=C(NNC(=O)c1ncoc1[C@@H]1CCCO1)c1cccc(F)n1	1328859111	MXOGBOPSJXSOTF-VIFPVBQESA-N	320.280	1.135	50	20	DDGD	
COc1nccnc1NNC(=O)c1cn(C)cc1C(F)(F)F	1323952599	IZVKUFJHJVPKAB-UHFFFAOYSA-N	315.255	1.599	50	20	DDGD	
O=C(CO[C@@H]1CCOC1)NNc1ncc(Cl)cc1Cl	1320421309	KFLYDQNZORKXNQ-MRVPVSSYSA-N	306.149	1.637	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CCc1cccnc1Cl	1327721362	YMQDGUUJYDFLAQ-UHFFFAOYSA-N	300.815	1.571	50	20	DDGD	
CC1(C)C[C@@H]1NC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1328530239	FWORYORVUKCILO-UBJUHAIHSA-N	303.200	1.191	50	20	DDGD	
Cc1ccc(C(=O)NN=C2CCN(CC(C)(C)O)CC2)cc1O	1330909528	VQXYRLKMTIPIQM-UHFFFAOYSA-N	319.405	1.653	50	20	DDGD	
C=C[C@H](COC)NC(=O)NNC(=O)c1cc2ccccc2o1	1256155722	IVIFQOOQDHZBNQ-LLVKDONJSA-N	303.318	1.578	50	20	DDGD	
CC(C)(CNC(N)=O)NC(=O)[C@H](Br)C(C)(C)C	1336208205	YCYJKEMVIHBYET-ZETCQYMHSA-N	308.220	1.359	50	20	DDGD	
Cc1sc(C=NNC(=O)C[N+](C)(C)C)cc1Br	1330108570	KGXRMCSROAAERV-UHFFFAOYSA-O	319.248	1.975	50	20	DDGD	
CC1(C)CCN1C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1334704511	VHHQRXKELHRLDM-PRHODGIISA-N	303.200	1.287	50	20	DDGD	
CO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1ccccc1Cl	1251238384	NBXIALCXTZXSHW-VXGBXAGGSA-N	311.769	1.852	50	20	DDGD	
Cn1cc(NC(=O)NNC(=O)c2cccn2C)c(C(F)F)n1	1347912661	OJXUMWRRJSFEKW-UHFFFAOYSA-N	312.280	1.163	50	20	DDGD	
CC[C@H](C)[C@H](C)NC(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1347939599	BXORWWXVWBIUJE-XHSYRHOGSA-N	319.243	1.827	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H]1CCCCN1Cc1cccc(F)c1	1347684477	FDWHYTPSKMFUAF-XJKSGUPXSA-N	323.412	1.524	50	20	DDGD	
O=C(O)[C@@]1(C(=O)NNc2ncncc2F)C[C@@H]1c1ccccc1	1601703131	VOJPNFGEYYWXOQ-BMIGLBTASA-N	316.292	1.317	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1nncc2ccccc12	1606528355	BJOWVPPCSJCIPQ-UHFFFAOYSA-N	309.285	1.480	50	20	DDGD	
Cn1nc(C2CC2)cc1C(=O)NNc1ncccc1C(=O)O	1605545469	NUDJEBUDZFZFFJ-UHFFFAOYSA-N	301.306	1.148	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)Cc2cc(F)ccc2O)cc1	1608781350	YQLRRIPKRGGKDE-UHFFFAOYSA-N	318.304	1.844	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNc2ccccc2C(=O)O)nn1	1603567315	FWDDYSGOHFDXMV-UHFFFAOYSA-N	303.322	1.488	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(F)c(C(=O)O)c1)[C@@H]1CCCNC1	1604290212	DPMFKCKFVVLARN-VHSXEESVSA-N	324.356	1.538	50	20	DDGD	
Cc1cc(NC(=O)NNc2ccc(CC(=O)O)cc2)n(C)n1	1600270923	SHVUHYCJTQOAJN-UHFFFAOYSA-N	303.322	1.504	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2c[nH]c(C(=O)O)c2)n1	1605435704	MPTJRLYZSXWBQD-UHFFFAOYSA-N	318.337	1.106	50	20	DDGD	
COC(=O)[C@@H](Br)CN1C(=O)c2ccccc2C1=O	2031726	SRIHQCPYXNQAMD-VIFPVBQESA-N	312.119	1.219	50	20	DDGD	
C[C@H](CC=NNC(=O)c1cc(Br)cn1C)C(=O)O	1604130031	ONFLGHJPRYPJGS-SSDOTTSWSA-N	316.155	1.614	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NN[C@H](C(=O)O)C2CC2)c1C	1600543018	DOLNPFVPOFCKHI-RISCZKNCSA-N	306.362	1.555	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](C)c2ncc(C(=O)O)s2)nc1	1610509122	AWANGPHKXMUMTC-MRVPVSSYSA-N	321.362	1.932	50	20	DDGD	
O=C(NN=Cc1cccc2[nH]ccc12)[C@H]1CN2CCC[C@H]2CO1	1549317768	MOEPOKKKRAIQOW-XJKSGUPXSA-N	312.373	1.481	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@@H]1C(=O)NN=Cc1ccccn1	1549318336	XTNJSMMWQAALQJ-ZFWWWQNUSA-N	313.361	1.433	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)NN=C[C@H]1CCOC1	1549312548	BIJVSXWTVMDGCQ-MBNYWOFBSA-N	306.366	1.026	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H]2CCCO[C@H]2c2ccnn2C)no1	1549316860	ULMWWMXWVSKJEK-GXTWGEPZSA-N	317.349	1.335	50	20	DDGD	
CS(=O)(=O)c1ccc(NNC(=O)CCC23CC(CN2)C3)cc1	1579351689	QBSFDHNWTDLLLQ-UHFFFAOYSA-N	323.418	1.065	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@H]2CC[C@@H](N)CC2)cc1	1578820366	FCLBPHZOFJGLHE-BETUJISGSA-N	305.378	1.363	50	20	DDGD	
CCSCc1cccc(NC(=O)NNC(=O)CCCN)c1	1578218283	CTDMLXBYAWBXSA-UHFFFAOYSA-N	310.423	1.831	50	20	DDGD	
COCC[C@H]1CNCCN1C[C@H](CBr)C1CC1	1579011653	AUWCRCSYTKJPQP-STQMWFEESA-N	305.260	1.718	50	20	DDGD	
COc1ccc(NNC(=O)c2c[nH]nc2[C@H]2CCNC2)cc1	1579230646	URXIHSAVOGHVDO-JTQLQIEISA-N	301.350	1.252	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN1)c1cc2ccccc2nc1Cl	1580733283	QSXZPNFHTQGXPO-LLVKDONJSA-N	304.737	1.011	50	20	DDGD	
CC(C)CCCNC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1589597211	BTSMHAGDLZKRMO-UHFFFAOYSA-N	304.358	1.324	50	20	DDGD	
CC(=O)CCC(C)(C)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1588787546	VSDAZMQIYVZIJI-UHFFFAOYSA-N	316.365	1.705	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H]2CC23CC3)o1	1589773734	KUCXOFXVKHHSBL-SSDOTTSWSA-N	303.326	1.221	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1(C)COC1	1847343321	SPMLTPQGUVMTCK-SRVKXCTJSA-N	314.813	1.242	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cc(-c2nn[nH]n2)c(F)cc1C	1591272276	CQOHSAZEKWXDCK-UHFFFAOYSA-N	323.288	1.049	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C[C@H](C)CC(=O)O	1597614985	NOBPOWMUIHZHIY-NSHDSACASA-N	322.361	1.276	50	20	DDGD	
Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNc1cccc(C#N)c1	1591784955	ZNEOMWLBZNLIOZ-UHFFFAOYSA-N	308.305	1.132	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@@H]1CO[C@@H](CCC(=O)O)C1	1594364786	FUWXIJURBAFYMJ-JQWIXIFHSA-N	310.325	1.847	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NN[C@@H](C(=O)O)C3CC3)cc2C1	1594451299	ZPZVLRSKMHLJBQ-ISVAXAHUSA-N	308.403	1.971	50	20	DDGD	
O=C(O)CC[C@@H]1C[C@@H](C(=O)NNc2ncc(F)cc2F)CO1	1595006920	XCRGUGXPMDLHMX-VXNVDRBHSA-N	315.276	1.073	50	20	DDGD	
CC(=NNC(=O)c1ccc(C(=O)O)cc1)c1cnc(N)s1	1776101475	KEIHTNHNSVFNPK-UHFFFAOYSA-N	304.331	1.578	50	20	DDGD	
C#CCNC(=O)COC(=O)/C(C#N)=C/c1ccc(OCC)cc1	18957471	QBMUKIZTOUKRII-GXDHUFHOSA-N	312.325	1.285	50	20	DDGD	
C=CCOc1cccnc1C(=O)NNc1ccc(OC)cn1	159190901	YXVYIAGJCWMQJG-UHFFFAOYSA-N	300.318	1.807	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC[C@@H]([C@@H]2CCOC2)C1	866998438	DQRMEJOAFNWNGW-VXGBXAGGSA-N	309.859	1.940	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(N(CC)CCO)cc1	108008037	AYKZKMGFRLXVSM-OUKQBFOZSA-N	303.362	1.888	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2CCCCCC2)n1	8119156	XSXXHNQNJLGXCZ-UHFFFAOYSA-N	310.423	1.017	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2O)cc1F	55556906	KPEMHSVYKDCXNF-UHFFFAOYSA-N	324.333	1.463	50	20	DDGD	
CCN(C)C(=O)c1cccc(C(=O)NNC(=O)CC(C)(C)C)c1	104898852	RHGVRNXFXAMUBC-UHFFFAOYSA-N	319.405	1.976	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NNC(=O)[C@@H]2C[C@@H]2C)[nH]n1	170969148	VSFOZFVPWPLVQY-GXSJLCMTSA-N	314.345	1.502	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1OC	25400594	UXYVDXPDPOIIRO-LBPRGKRZSA-N	308.334	1.034	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2cccc(C=O)c2)o1	176216858	LCWCBFDHMJOATQ-UHFFFAOYSA-N	302.286	1.241	50	20	DDGD	
CN(C)[C@H]1CCC[C@H](NC(=O)NNC(=O)c2ccccc2)C1	176620749	JHBVZGKFYDPGIZ-KBPBESRZSA-N	304.394	1.503	50	20	DDGD	
CCn1cc(NC(=O)NNC(=O)c2ccc(O)c(Cl)c2)cn1	172194399	PAGXPWVJDSPTQB-UHFFFAOYSA-N	323.740	1.729	50	20	DDGD	
C[C@H]1C[C@@H](CC(=O)NNC(=O)N2CCOCC2)CC(C)(C)C1	170757621	YICZRUXWJPCVAI-STQMWFEESA-N	311.426	1.912	50	20	DDGD	
O=C(NNc1cnccn1)c1ccc(Br)cc1O	114879649	FWPVEISAIBYVQT-UHFFFAOYSA-N	309.123	1.702	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)[C@@H](C)NC(=O)c1ccoc1	119037075	UBJBDDBNGUYUHN-SNVBAGLBSA-N	305.309	1.989	50	20	DDGD	
C=CCNC(=O)c1ccc(NC(=O)NNC(=O)C(C)(C)C)cc1	179781679	SKXUQCFMCFHLCT-UHFFFAOYSA-N	318.377	1.801	50	20	DDGD	
O=C(NCC1CC1)NNS(=O)(=O)c1c(F)cc(F)cc1F	64940197	HZPFAIBUXCOXLQ-UHFFFAOYSA-N	323.296	1.006	50	20	DDGD	
N#CCCn1ccc(NC(=O)NNc2ncccc2Cl)n1	179868451	NAULIYLREGXLAV-UHFFFAOYSA-N	305.729	1.994	50	20	DDGD	
COc1ccc2cc(C(=O)NNC(=O)NC3CC3)c(C)nc2c1	64429249	MSLYHIAPBAMDLR-UHFFFAOYSA-N	314.345	1.658	50	20	DDGD	
COC(=O)[C@H]1CN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)CCO1	177117589	WPRCHNXUEKBJDS-YGLIYXGISA-N	317.301	1.333	50	20	DDGD	
O=C(CCc1cscn1)NNc1nc2ccccc2c(=O)[nH]1	176785848	WHQRQMWTBSEZPJ-UHFFFAOYSA-N	315.358	1.456	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccc([C@@H](C)O)cc2)nn1	171603526	YHQMTININBLCBN-LLVKDONJSA-N	301.350	1.665	50	20	DDGD	
Cn1cnc(C(=O)NNC(=O)CSc2ccc(Cl)cc2)c1	178144005	ZPXQDDNMHQYNBP-UHFFFAOYSA-N	324.793	1.627	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)CC1(CS(C)(=O)=O)CC1	184357024	ZVZLYWIXBKJHJZ-UHFFFAOYSA-N	314.382	1.792	50	20	DDGD	
O=C(Cc1cncs1)NNC(=O)Cn1ccc2ccccc21	188543884	DSKQFDAJEPQDQM-UHFFFAOYSA-N	314.370	1.488	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNc2cc(F)c(F)c(F)c2)C1	127134380	LOEZKKMNOWYUPN-QMMMGPOBSA-N	315.295	1.806	50	20	DDGD	
CCOC(=O)NNC(=O)Cc1c[nH]c2cccc(OCC)c12	187285008	BUOSSHGVTGWQGD-UHFFFAOYSA-N	305.334	1.886	50	20	DDGD	
CCN(C)C(=O)CNC(=O)NNc1cc(F)c(F)c(F)c1	186182227	ODLMVLWFCGSLEB-UHFFFAOYSA-N	304.272	1.208	50	20	DDGD	
CC1CCC(N2C[C@H](C(=O)NNc3ccncc3)CC2=O)CC1	180462739	ONKBNCGMJBUYOL-JVWICGRDSA-N	316.405	1.952	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2ccc(Cl)nc2)n1	79638543	AFDZTKUVORFGJB-UHFFFAOYSA-N	308.729	1.360	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CC[C@]2(C1)OCc1ccccc12	185696518	GVKUVVQQSFFNLI-QGZVFWFLSA-N	317.389	1.905	50	20	DDGD	
Cn1cncc1CCC(=O)NNC(=O)c1ccc2ccccc2n1	189857697	SEQAZLKQGLMMPF-UHFFFAOYSA-N	323.356	1.362	50	20	DDGD	
NS(=O)(=O)c1cccc(NC(=O)NNc2ccccc2)c1	122749940	CJYUHYBYAGGNLA-UHFFFAOYSA-N	306.347	1.483	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cnc3c(c2)nnn3C)cc1	182678130	MWOAXGJGAQIBFW-UHFFFAOYSA-N	324.344	1.001	50	20	DDGD	
CC(C)Oc1cccc(CC(=O)NNC(=O)Cc2cc[nH]n2)c1	186138452	GXYBIURCRVTXKH-UHFFFAOYSA-N	316.361	1.130	50	20	DDGD	
O=C(NNc1cccnn1)N[C@@H](CCCO)c1ccccc1	77881628	ZQCUBQQRNKYQCJ-ZDUSSCGKSA-N	301.350	1.617	50	20	DDGD	
CC1(Cn2cc(C(=O)NNc3ccccc3Cl)nn2)COC1	184017960	JNDZFHQKMSSZAW-UHFFFAOYSA-N	321.768	1.725	50	20	DDGD	
Cc1ccc(-c2noc(CCC(=O)NN(C)C(N)=O)n2)cc1F	181056907	KULKOJZBWCQSAF-UHFFFAOYSA-N	321.312	1.158	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NNc1ccc2ccccc2n1	181154358	DVWMLDRERZHAQS-GFCCVEGCSA-N	301.350	1.515	50	20	DDGD	
O=C(COCCOc1ccccc1)NNc1ccnc(F)c1	182518848	COGZTFJDVGDNEJ-UHFFFAOYSA-N	305.309	1.759	50	20	DDGD	
O=C(CCCNC(=O)c1ccsc1)NNc1ccncc1	180520730	BTOVFBNDOFZBCK-UHFFFAOYSA-N	304.375	1.796	50	20	DDGD	
O=C(NNC(=O)C(F)(F)c1ccccc1)c1ccccc1O	47297021	QRIBVJQUSGFGOK-UHFFFAOYSA-N	306.268	1.945	50	20	DDGD	
CN(NC(=O)c1ccc(-n2cnc3ccccc32)nc1)C(N)=O	182643984	GNDSXLPOQSCBPT-UHFFFAOYSA-N	310.317	1.076	50	20	DDGD	
COC[C@@H]1CN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C[C@@H](C)O1	194889761	CRJFQIJOQBVOSQ-ALBQOWQCSA-N	316.357	1.561	50	20	DDGD	
O=C(Cn1cc(C2CC2)nn1)NNc1ccc(F)c(F)c1F	131028916	YJACDVMDWVECAY-UHFFFAOYSA-N	311.267	1.716	50	20	DDGD	
C[C@H](Cc1cccs1)NC(=O)NNC(=O)Cc1ccncc1	83178773	NLUNNDQLYBJVPG-LLVKDONJSA-N	318.402	1.647	50	20	DDGD	
O=C(CSc1cccc[n+]1[O-])NNC(=O)NC1CCCCC1	193026405	QAFLHBDYEVUINU-UHFFFAOYSA-N	324.406	1.075	50	20	DDGD	
CC[C@H](C)CC(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12	190512738	QOYGGVZDISLOMJ-VIFPVBQESA-N	302.334	1.120	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2cccc(N(C)C)c2)o1	84435264	MJVLUQFODANWDH-UHFFFAOYSA-N	316.361	1.798	50	20	DDGD	
O=C(CCCOc1ccc(F)cc1)NNC(=O)c1ccc[nH]1	97075649	UEDSEHFEJKCYHV-UHFFFAOYSA-N	305.309	1.774	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cn(C)nc1-c1cccs1	92283135	PKNJMFCYQWIZKY-UHFFFAOYSA-N	307.379	1.501	50	20	DDGD	
O=C(NCc1nc(C(F)(F)F)cs1)NNC(=O)C1CCC1	265890634	FHFWWOXCAZVISK-UHFFFAOYSA-N	322.312	1.792	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NNc1cccc([N+](=O)[O-])c1C	269579456	AQLYBIBPWBOKAC-NSHDSACASA-N	323.353	1.573	50	20	DDGD	
O=C(CC1CC1)NNc1nc(Br)cn2ccnc12	267535069	SCSBYXOGTAINIJ-UHFFFAOYSA-N	310.155	1.735	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@H]1CCO[C@@H](C)C1	271585756	ZAUDNZVMLNWERF-RYUDHWBXSA-N	321.377	1.454	50	20	DDGD	
Cn1nc([C@@H]2CCCO2)cc1NC(=O)NNC(=O)CC(C)(C)C	279005329	NYJDDWRKUMOQED-NSHDSACASA-N	323.397	1.861	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C[C@H](C)Cc1ccccc1OC	272635500	CIVRVHFTGLHLGY-GFCCVEGCSA-N	307.394	1.956	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2cc(C(C)C)on2)n1	273072406	DYPZOWNDKSIFLZ-UHFFFAOYSA-N	319.321	1.283	50	20	DDGD	
Cn1ccc2ccc(NC(=O)NNC(=O)C3CC3)cc2c1=O	284967422	RSEYCANPAYQIIA-UHFFFAOYSA-N	300.318	1.101	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H](c2nncn2C)C(C)C)n1	286894044	LIGUYJYMUSMIMH-LBPRGKRZSA-N	319.369	1.242	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1cn(CC)c2ccccc12	281315079	SHJKGPYKHTZUIF-UHFFFAOYSA-N	316.430	1.885	50	20	DDGD	
CCc1ncc(NC(=O)C(=O)NCCSSC)cn1	285151130	JKVYZGXUPYEECQ-UHFFFAOYSA-N	300.409	1.105	50	20	DDGD	
CSSCCNC(=O)CN1C(=O)c2ccc(C)cc2C1=O	284051817	KYWQRBKHDDGMPF-UHFFFAOYSA-N	324.427	1.718	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1ccc(Cn2cccn2)o1	804768060	LSGUZBRRODNPQV-UHFFFAOYSA-N	301.281	1.815	50	20	DDGD	
Cc1nc2cc(F)c(F)cc2n1CC(=O)NNC(=O)CC1CC1	294317161	XYDBYQVYBLAPJM-UHFFFAOYSA-N	322.315	1.570	50	20	DDGD	
Cc1nnc(COCC(=O)NNc2nccnc2C(C)C)s1	803226175	NIPMBVGZSAQNJH-UHFFFAOYSA-N	322.394	1.420	50	20	DDGD	
Cc1nc2c(C(=O)NNC(=O)[C@@H]3CCCCO3)cccc2[nH]1	295798887	VMLTVYXICAKEDF-LBPRGKRZSA-N	302.334	1.201	50	20	DDGD	
COCc1ccc(NC(=O)C(=O)NNc2ncccc2F)cc1	807302016	KOQPQSMLFKCYNV-UHFFFAOYSA-N	318.308	1.449	50	20	DDGD	
Cc1ccc(C(C)(C)C(=O)NNC(=O)[C@H]2CCCCO2)cc1	295630309	SKWLHEIHQBHREX-CQSZACIVSA-N	304.390	1.989	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNc2ncncc2F)cc1	294115931	SNIXXSCUFIQVJF-SNVBAGLBSA-N	304.325	1.946	50	20	DDGD	
COc1cc(CNC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)ccc1C	297419897	QBDDSVVANZFWFC-AAEUAGOBSA-N	321.377	1.402	50	20	DDGD	
CCC(=O)c1cccc(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	292573371	CUPJTIPHRQJNKV-HZMBPMFUSA-N	319.361	2.000	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)N[C@H]1CC1(C)C	299046572	GVVLOIVLBZJETR-SKDRFNHKSA-N	309.341	1.722	50	20	DDGD	
COc1ccnc(NNC(=O)N=c2cc(C)[nH]c3ccccc23)n1	809886987	QIRFPBQLSWASHT-UHFFFAOYSA-N	324.344	1.912	50	20	DDGD	
Cc1cc2cc(CNC(=O)NNC(=O)c3ccc[nH]3)ccc2[nH]1	807561893	ACBPJELHIJNHCV-UHFFFAOYSA-N	311.345	1.949	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1ccnc2c1nnn2C	801198217	PZXRYWXMDGMIRL-UHFFFAOYSA-N	300.297	1.568	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cn(C(C)C)nn2)c(OC)c1	807970151	XSGCTZXEIOYUSX-UHFFFAOYSA-N	317.349	1.640	50	20	DDGD	
CSSCCNC(=O)[C@H](C)n1nnnc1C(C)(C)C	803481100	ZJCGKAXQKMUDTR-QMMMGPOBSA-N	303.457	1.659	50	20	DDGD	
Cc1nnsc1C(=O)NNC(=O)Nc1ccc(Cl)cc1	802020071	HGSVMEXWGUUJDB-UHFFFAOYSA-N	311.754	1.966	50	20	DDGD	
COCCCn1cc(C)c(NC(=O)NNc2ncccc2F)n1	297465759	RMDGYNBORZFDAL-UHFFFAOYSA-N	322.344	1.911	50	20	DDGD	
O=C(NNc1ncccc1F)C(=O)Nc1ccc2c(c1)OCO2	807301477	AEWVGMUXAVWXDF-UHFFFAOYSA-N	318.264	1.031	50	20	DDGD	
Cc1c(C=NNC(=O)N2CCOCC2)n(C)c2ccccc12	814820282	WUBJQHIPIHALMJ-UHFFFAOYSA-N	300.362	1.862	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1ccn(CC(F)F)n1	817007019	JUEXWTRRSYDOEP-UHFFFAOYSA-N	301.684	1.954	50	20	DDGD	
CCN(CCOc1ccccc1C)CC(=O)NNC(=O)C1CC1	817284620	ZCEJIXXURLNARG-UHFFFAOYSA-N	319.405	1.253	50	20	DDGD	
CCOCc1nc([C@H](C)NC(=O)NNC(=O)C(C)(C)C)no1	812569187	YLZYDZJVDFQGKZ-QMMMGPOBSA-N	313.358	1.044	50	20	DDGD	
Cc1cc(C)c(C(=O)O)cc1C=NNC(=O)c1cnn(C)c1	814851909	ARDUAIAVZZWASJ-UHFFFAOYSA-N	300.318	1.499	50	20	DDGD	
CCC[C@@H](CC1CCCC1)C(=O)NNC(=O)N1CCN(C)CC1	819720746	GEKLAQWVELMITG-HNNXBMFYSA-N	324.469	1.971	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=S)NC2CCC2)cc1	814190516	BEHGXPLKGHWGTD-UHFFFAOYSA-N	309.391	1.122	50	20	DDGD	
CC1(C=NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)COC1	814857178	XPMNJDHJEATOHY-UHFFFAOYSA-N	311.363	1.234	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)CC1)c1cc2c(s1)CCC2	814738859	QKRKDOJVWYXCBM-UHFFFAOYSA-N	312.416	1.531	50	20	DDGD	
COc1ccc2c(c1OC)OCC2=NNC(=O)c1ccccn1	814683853	SJIMYOLMOYDFPA-UHFFFAOYSA-N	313.313	1.625	50	20	DDGD	
C/C(=C/c1ccc(Cl)cc1)C(=O)NNc1nccn(C)c1=O	810468592	BRIZZGYPIFTUSL-KTKRTIGZSA-N	318.764	1.980	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1ncoc1C1CC1	815323776	SEIJTESHKOZVML-VIFPVBQESA-N	323.349	1.291	50	20	DDGD	
COCC(=NNC(=O)C(C)(C)O)c1cccc(Cl)c1F	814910059	PYPSXWPZJRNWHL-UHFFFAOYSA-N	302.733	1.717	50	20	DDGD	
CS(=O)(=O)Cc1cccc(C(=O)NCCCSC#N)c1	816539171	UQNOCJVQMHPPBD-UHFFFAOYSA-N	312.416	1.565	50	20	DDGD	
O=C(CCN1CCCC1=O)NNC(=O)c1cccc(Cl)c1	727705152	IRJNPDQNZZQDOQ-UHFFFAOYSA-N	309.753	1.114	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCc2cccc(CO)c2)c1	729621077	CFGRVCADQMBPJY-UHFFFAOYSA-N	324.340	1.195	50	20	DDGD	
N#Cc1cccc(C(=O)NN=C2CCN(c3cnccn3)CC2)c1	728781746	WWIWJKPGEMUWBQ-UHFFFAOYSA-N	320.356	1.734	50	20	DDGD	
CCCCC(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1	726863035	LPSVKCJLYBYMTD-UHFFFAOYSA-N	311.407	1.761	50	20	DDGD	
Cc1c(F)cccc1NC(=O)C(=O)NNc1ncncc1F	815765252	KZELTHXASLZPBY-UHFFFAOYSA-N	307.260	1.145	50	20	DDGD	
COc1ccc(F)cc1C=NNC(=O)C(=O)Nc1ccccn1	812226513	NZIXWZBPXXOTFO-UHFFFAOYSA-N	316.292	1.318	50	20	DDGD	
CC(=NNC(=O)NC(C)C)c1cccc(NS(C)(=O)=O)c1	729819663	OOJWVPJSUUUTJQ-UHFFFAOYSA-N	312.395	1.490	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@@H]1Cc2ccccc2S1	728851028	IYQNCFXVJHIUFM-AWEZNQCLSA-N	313.382	1.489	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1csc(-c2ncccc2F)n1	823940273	VZJZHGCUBNVSGF-QMMMGPOBSA-N	310.354	1.302	50	20	DDGD	
COc1ccc(OC(C)(C)C(=O)NNC(=O)C2CCC2)cc1	827216105	KHDZDTXMRCWCOB-UHFFFAOYSA-N	306.362	1.800	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC12CCOCC2	826446734	WJOPLGBUGKFYRI-LBPRGKRZSA-N	314.349	1.127	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C[C@@H]1OC(=O)c2ccccc21	726136590	KEAPNAHVAKXNFF-NSHDSACASA-N	321.402	1.582	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1	726714362	PRMKMHZHILQQQJ-AWEZNQCLSA-N	317.389	1.229	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@H]1C[C@@]12CCOC2	822732488	YZCDOZNFYRWALQ-RFAUZJTJSA-N	308.309	1.482	50	20	DDGD	
Cc1ccccc1C[C@H](C)NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	825742925	HJPVBILYLZBLIV-KCQAQPDRSA-N	319.405	1.681	50	20	DDGD	
Cc1nccc(CNC(=O)NNc2cccc([N+](=O)[O-])c2C)n1	728129817	NQTHMFKHAKXNIJ-UHFFFAOYSA-N	316.321	1.828	50	20	DDGD	
CC[C@H]1[C@H](C(=O)NNC(=O)OC)CCN1C(=O)OC(C)(C)C	496599107	GRJBUYCFFZQFMA-ZJUUUORDSA-N	315.370	1.409	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C)[C@H](C)c1ccc(F)c(F)c1	827324087	YNAOHJZKKXSSLP-SNVBAGLBSA-N	313.348	1.761	50	20	DDGD	
Cc1cccc([C@H]2CCCN2CC(=O)NNC(=O)C(C)C)c1	827472261	BQUWQMBPCMPNDW-OAHLLOKOSA-N	303.406	1.935	50	20	DDGD	
O=C(/C=C/[C@H]1CCOC1)NNC(=O)Cc1c[nH]c2ccccc12	493806012	BRCNZYJGJWEZSU-FYJFLYSWSA-N	313.357	1.451	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(N)c(OC(F)(F)F)c1	822244551	MULRWQWIGQSLTF-UHFFFAOYSA-N	319.283	1.975	50	20	DDGD	
CC(C)NC(=O)NNC(=O)C[C@H](c1ccccc1)c1ncc[nH]1	824404830	XKYRLLYYAUKEKF-CYBMUJFWSA-N	315.377	1.671	50	20	DDGD	
C[C@]1(C(=O)NCC(=O)Nc2ccccc2)C[C@@H]1Br	906332948	IGKUEVXFQNRZKL-GWCFXTLKSA-N	311.179	1.915	50	20	DDGD	
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@]1(C)C[C@@H]1Br	906973985	WSVKSWJQSXDTKR-BQUSMCMVSA-N	301.228	1.759	50	20	DDGD	
CN(C)C1(CNC(=O)/C(C#N)=C\c2cnn(C)c2)CCCC1	490970200	GHHMNNKBAQCYAZ-ZSOIEALJSA-N	301.394	1.318	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1cccc(NC(=O)N(C)C)c1	490753701	LXKIPRYJXSBVPA-QBFSEMIESA-N	316.361	1.840	50	20	DDGD	
CCCN(NC(=O)CS(=O)(=O)CC)C(=O)OC(C)(C)C	495825938	BPHIOQXDTLVAIU-UHFFFAOYSA-N	308.400	1.099	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)COc1ccccc1CC	823549756	RSBXKLJILLLGIO-KGLIPLIRSA-N	318.373	1.366	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Nc2nc(C(C)(C)C)cs2)cn1	735509778	NUNDWRPITWFKOU-UHFFFAOYSA-N	322.394	1.641	50	20	DDGD	
CCn1cc(C=NNC(=O)[C@H]2COc3ccccc3O2)c(C)n1	901129082	WSPOFJJFDKPDKK-OAHLLOKOSA-N	314.345	1.502	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1COCc2ccccc21	827177672	MKBNPDDXJBQIJJ-JKOKRWQUSA-N	319.361	1.013	50	20	DDGD	
C/C=C(/C=C/C(=O)NNC(=O)C(=O)Nc1ccccn1)CC	493036333	CSBNCOBAZDEMJF-NGOBVPNHSA-N	302.334	1.080	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)[C@H]1[C@@H]2CCC(=O)[C@@H]12	907664442	CBBOCXHZXKANGS-GGVZMXCHSA-N	315.358	1.268	50	20	DDGD	
CC1(C)CC(C(=O)NNC(=O)N2CCOCC2)CC(C)(C)C1	824620823	AQIRQTBKADVNGC-UHFFFAOYSA-N	311.426	1.912	50	20	DDGD	
COc1cccc(C=NNC(=O)CCNC(=O)OC(C)(C)C)n1	497067524	YJACZSXWJDZWGJ-UHFFFAOYSA-N	322.365	1.455	50	20	DDGD	
CC[C@@H](C)[C@H](NNC(=O)c1ccc(OC)cc1OC)C(=O)OC	905759248	JMSYIHYVKWYBFR-YGRLFVJLSA-N	324.377	1.526	50	20	DDGD	
CCC[C@H](CC(C)C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1	823757134	HXFUVKUTFXUTFR-NEPJUHHUSA-N	318.439	1.031	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@H]1CCCC(F)(F)C1	826710160	HHGDVZIEGLCJKZ-DCAQKATOSA-N	319.352	1.567	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc(-c3nn[nH]n3)cc2C)n1	826265495	BETNYQJDPCGQPH-UHFFFAOYSA-N	324.348	1.339	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)/C=C\[C@@H]1CCOC1	493814386	DOOLBZCORACEDS-XJIUSYNZSA-N	324.764	1.702	50	20	DDGD	
O=C(COC(=O)CC1=CCCCC1)NNC(=O)c1cccs1	730336985	FWKSPAAZMFRXFG-UHFFFAOYSA-N	322.386	1.943	50	20	DDGD	
CC[C@@H](COc1ccccc1)NCc1ccc(B(O)O)cc1F	585028275	IHSZSGKLTIYRPX-HNNXBMFYSA-N	317.169	1.453	50	20	DDGD	
OB(O)c1cccc(CNCCCc2cc(F)cc(F)c2)c1	585035668	WPKLPULOSPYKPX-UHFFFAOYSA-N	305.133	1.367	50	20	DDGD	
O=C(NNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccnc1	731453065	HCXFGGLWZNFDRU-UHFFFAOYSA-N	304.237	1.204	50	20	DDGD	
CC(C)CCn1nccc1NC(=O)c1ccc(B(O)O)c(F)c1	584926146	DBZLPPPRUKIWTR-UHFFFAOYSA-N	319.145	1.000	50	20	DDGD	
C[C@@H](CCc1ccccc1)NCc1ccc(B(O)O)cc1F	585014610	XJURVEWTDGVWNZ-ZDUSSCGKSA-N	301.170	1.616	50	20	DDGD	
CC(=O)N1CCCN(C(=O)[C@]2(C)C[C@H]2Br)CC1	905532322	XOAOIFOSZSTHES-ZYHUDNBSSA-N	303.200	1.241	50	20	DDGD	
CC(C)n1cnnc1CNC(=O)[C@@]1(C)C[C@@H]1Br	906576823	GYPJSNQIOHCXOJ-KWQFWETISA-N	301.188	1.649	50	20	DDGD	
O=S(=O)(c1ccc(N2CC[C@@H](B(O)O)C2)cc1)C(F)(F)F	585074108	SYEUEOXFEAYODF-MRVPVSSYSA-N	323.101	1.033	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1nc(C2CC2)cs1	831127255	HUNKSCZXGPBRDG-VXNVDRBHSA-N	310.379	1.598	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)NCc2ccco2)C[C@@H]1Br	906416840	HGESGGHCBSGKHY-KWQFWETISA-N	316.155	1.284	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)C[C@H]1CCOC1	739680141	LAMABUCSINMJNC-LLVKDONJSA-N	301.346	1.284	50	20	DDGD	
O=C(NCB(O)O)c1ccc(-c2nc3ccccc3s2)o1	585061745	ZNRFLDAPHFFGII-UHFFFAOYSA-N	302.120	1.298	50	20	DDGD	
CCOCCCN1CCC(=NNC(=O)c2cccnc2)[C@H](C)C1	735223523	DEHFAAUUXNPWDN-CQSZACIVSA-N	318.421	1.936	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)CCCF	832283441	XWNSGEFHGVZWQE-UHFFFAOYSA-N	304.343	1.292	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2ccc(CO)o2)cc1	739399330	CGKSFSACUKSTTB-UHFFFAOYSA-N	304.302	1.310	50	20	DDGD	
CC(C)[C@@H]1CCCCCN1C(=O)c1cc(B(O)O)ccc1F	584972110	NIFSZUIWSKMITN-HNNXBMFYSA-N	307.174	1.546	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2cc(Br)ccc2O)cn1	735410978	FYWPGUHJELUQSB-UHFFFAOYSA-N	323.150	1.652	50	20	DDGD	
O=C(NCCC[C@H]1CCCCO1)NNC(=O)[C@@H]1CCCCO1	836397665	DIKSFSQEDIBEBE-OLZOCXBDSA-N	313.398	1.235	50	20	DDGD	
O=C(NN=Cc1ccc(CO)o1)c1ccc2c(c1)OCCO2	739411021	BMZHPCHSTLEQRV-UHFFFAOYSA-N	302.286	1.307	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1ncon1	832820848	CFCHEVPNDXWWKJ-UHFFFAOYSA-N	304.350	1.437	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccc(C(=O)O)cc1OC)N(CC)CC	833636514	VAMWGIHVTNUSCO-ZDUSSCGKSA-N	323.393	1.957	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)ccc1F	831705958	KUVOIUNVFAEHES-WPRPVWTQSA-N	311.313	1.412	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)c1F	837060810	FTCOXHYDRDZRHF-MWODSPESSA-N	310.325	1.869	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC(C)C)ccc1N1CCNC1=O	919702358	DOURAQHTSOCUCJ-UHFFFAOYSA-N	318.377	1.332	50	20	DDGD	
C=CC(=O)N(CC)CC(=O)NC[C@]1(C)C[C@H]1Br	912826997	FRFLYNLDTDSUCF-SKDRFNHKSA-N	303.200	1.311	50	20	DDGD	
O=C(NCCCN1CCOCC1)NNc1ccc(F)c(F)c1	913836940	KYVWZSGZHPUZSV-UHFFFAOYSA-N	314.336	1.313	50	20	DDGD	
N#Cc1cc(F)c(C(=O)NNC(=O)[C@H]2CCCCO2)c(F)c1	833246508	LOOZHKPEFNXMER-LLVKDONJSA-N	309.272	1.167	50	20	DDGD	
C=CCONC(=O)NNC(=O)c1ccc(OCCC)c(OC)c1	838701683	DVOFAHVXVQTBQQ-UHFFFAOYSA-N	323.349	1.546	50	20	DDGD	
COc1ccccc1C(C)=NNC(=O)[C@@H](C)CN1CCOCC1	916361938	GMVLOLVJMOUUDU-ZDUSSCGKSA-N	319.405	1.504	50	20	DDGD	
CC(C)c1ccc(NNC(=O)CCn2cnccc2=O)cc1	837054245	WRGFICIHLNWFMO-UHFFFAOYSA-N	300.362	1.900	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](C)c2c(C)nn(C)c2C)n1	746626932	CEEPDMYPMDHRIP-VIFPVBQESA-N	318.381	1.391	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=Cc1cc(C)nn1C	841606267	CSDGFAWOFIMAHQ-UHFFFAOYSA-N	316.361	1.656	50	20	DDGD	
N#Cc1ccc(C(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)cc1	916658761	HLNGTIVFSGLARV-UHFFFAOYSA-N	310.269	1.936	50	20	DDGD	
Cc1cc(O)cc2c1C(=O)C(=NNC(=O)NCC(F)(F)F)O2	917552792	XLOOGWHGSXWVMG-UHFFFAOYSA-N	317.223	1.451	50	20	DDGD	
Cc1cccc2c(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)coc12	843660616	LSRFAUOQKWDNIU-WDEREUQCSA-N	302.330	1.927	50	20	DDGD	
CCC(CC)CN(CCC#N)CC(=O)NNC(=O)C(C)(C)C	744405197	GRRAVQRIQBFNAL-UHFFFAOYSA-N	310.442	1.832	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC[C@@H](N)C1CC1)c1ccccc1	841965528	HSKSUYSGSGQNTB-ZIAGYGMSSA-N	304.394	1.248	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)Cc2ccncc2)oc1C	747645289	CKTGKIBZPFNZME-UHFFFAOYSA-N	301.302	1.462	50	20	DDGD	
O=C(COC1CCOCC1)NNc1ccc(OC(F)F)cc1	748649109	DWRXMPJHPMFWPH-UHFFFAOYSA-N	316.304	1.927	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1cccc(C(=O)O)c1Cl	842549451	MKLDQRFQJWJZIJ-SCZZXKLOSA-N	310.737	1.913	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(C(=O)OC(C)(C)C)nc1	846123251	VODZSAWEDPRHKV-UHFFFAOYSA-N	309.322	1.380	50	20	DDGD	
O=C(COc1ccccc1O)NN=C1CCCN2CCCC[C@@H]12	848410128	JXZOLZMUZQTCAR-AWEZNQCLSA-N	317.389	1.892	50	20	DDGD	
Cc1cc(NNC(=O)c2cnc(O)c(Br)c2)ncn1	743414685	YRMUCAGJMOFFBQ-UHFFFAOYSA-N	324.138	1.405	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H]1Cc2cc(F)ccc2O1	740813951	BRYZUSFXAMEHGQ-HNNXBMFYSA-N	314.316	1.899	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C	748615252	PDXZIHDZPCETTA-WUHRBBMRSA-N	315.414	1.193	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cnc(Cc2ccc(F)cc2)s1	910166088	SBAKVIPOJCBMKH-JTQLQIEISA-N	323.393	1.830	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1ccc2c(c1)CCC2	843648362	QDLVHHHLEXTFCK-ABAIWWIYSA-N	302.374	1.290	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1ccc(F)cc1)c1cnn(C)c1	749877147	XYBUIKWNNWHHOL-SNVBAGLBSA-N	304.325	1.053	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccccc1SCC#N	843971965	CWZHGEWXPFGLPQ-WDEREUQCSA-N	319.386	1.488	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)C2)c2ccccc2n1	843876749	SGNVKDBDTZHULW-LLVKDONJSA-N	311.341	1.673	50	20	DDGD	
O=C1CCCc2cc(C(=O)NNC(=O)NC3CC3)ccc2N1	920823419	QAPFFGHTRNVGCL-UHFFFAOYSA-N	302.334	1.068	50	20	DDGD	
CCCc1ccc(NC(=O)NNC(=O)[C@@H](C)OCCOC)cc1	755468468	GEPCBAXLBFAJKL-GFCCVEGCSA-N	323.393	1.843	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CC(F)(F)F)c2[nH]ncc12	756523846	FZWOTCFVLAJIHR-UHFFFAOYSA-N	315.255	1.976	50	20	DDGD	
C[C@H](Cc1ccc(F)cc1)C(=O)NNC(=O)Cc1cc[nH]n1	755269501	QOFIAYMVLSZYBH-SNVBAGLBSA-N	304.325	1.118	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1	858092750	ZLKMZNPHWSXQFL-GFCCVEGCSA-N	307.306	1.171	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1cnc2n1CCCCC2	857130363	QVTYIPJKINOLAF-UHFFFAOYSA-N	312.337	1.033	50	20	DDGD	
C=CCN(CC(=O)NNC(=O)c1cccs1)[C@H](C)COC	852356969	UANTUPURCDLCAX-LLVKDONJSA-N	311.407	1.032	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NN=C1COCC1(C)C	853377655	BAYXSPVRTOFRQR-BXUZGUMPSA-N	320.393	1.416	50	20	DDGD	
O=C(NN=Cc1ccc(O[C@@H]2CCOC2)cc1)c1ncccn1	853360148	WJZKNEQBRZNRDR-CQSZACIVSA-N	312.329	1.408	50	20	DDGD	
CCn1nccc1C=NNC(=O)[C@@H](C)Oc1ccccc1F	753691139	RHFZKPVNONWURB-LLVKDONJSA-N	304.325	1.960	50	20	DDGD	
N#C/C=C(\c1ccccc1)N1CCC(n2cc(C(N)=O)nn2)CC1	859591358	IWDKBUBUXQEKGG-OMCISZLKSA-N	322.372	1.579	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(CO)c(F)c2)n1	857459066	CPCHZHMAEWHNPJ-UHFFFAOYSA-N	306.297	1.182	50	20	DDGD	
O=C(OC[C@@H](CBr)C1CC1)c1cc(=O)cc[nH]1	924134644	GYIBZHGXCJBOFU-SECBINFHSA-N	300.152	1.953	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cccc2nc(O)oc12	752286049	LVXBFXPHZMEMDS-UHFFFAOYSA-N	303.196	1.247	50	20	DDGD	
O=S(=O)(CBr)N1CCOC(C2CC2)(C2CC2)C1	851825547	KSHXVRUUJKQVNZ-UHFFFAOYSA-N	324.240	1.560	50	20	DDGD	
NC(=O)c1csc(C=NNC(=O)CCc2ccccc2O)c1	755893081	IKXOUNAUZBQHSO-UHFFFAOYSA-N	317.370	1.636	50	20	DDGD	
COCC1CCC(=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)CC1	853390850	PBXAYDIFNRJLQN-UCWKZMIHSA-N	309.410	1.158	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)O)CCC1=NNC(=O)Cc1ccccc1O	853401295	ZMNJSSKLAPHUOB-ZYHUDNBSSA-N	304.346	1.928	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)CCc1ccoc1	753341422	MHUFWIUDCXAPKS-UHFFFAOYSA-N	308.359	1.759	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1cnn(C2CC2)c1	859490058	VXADSBPGXVBQLB-UHFFFAOYSA-N	314.345	1.196	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1ncccc1F	857476590	PTVRXDBAGFHECA-UHFFFAOYSA-N	301.203	1.786	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=O)OCC(F)(F)F)cc1	856026942	SCVOQFPKFKDORF-UHFFFAOYSA-N	319.239	1.578	50	20	DDGD	
COC1CC(C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)C1	858143973	CTABNRAESIUJNU-IYXRBSQSSA-N	320.389	1.643	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)c1ccccc1OC(F)F	751263584	MYZGQUOPESBBOI-UHFFFAOYSA-N	308.306	1.254	50	20	DDGD	
C[C@@H]1Cc2ccccc2C1=NNC(=O)Cc1cc(O)nc(O)n1	751134609	ZRHBEEKCBIJKMD-SECBINFHSA-N	312.329	1.143	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cc(C)nn2C)c1C	855627699	YTVIJCWNXPUCGL-UHFFFAOYSA-N	302.334	1.580	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)C1[C@@H]2CCC[C@@H]12	753080328	XQKBPPFZNYLBGV-GHMZBOCLSA-N	309.460	1.832	50	20	DDGD	
CS[C@H](C(=O)NNc1ccc(C(N)=O)nn1)c1ccccc1	757398131	DEHGSMZNMIICOB-LBPRGKRZSA-N	317.374	1.123	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N(C)[C@@H](C)c2nc(C)no2)c1	858707010	GYQQTVDYXZTUFZ-QMMMGPOBSA-N	323.378	1.795	50	20	DDGD	
O=C(COC(=O)[C@H]1C[C@H]2CC[C@H]1C2)NNC(=O)c1ccccc1	753874639	NIHOAIMGRNTWSN-UBHSHLNASA-N	316.357	1.427	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)c1)NNC(=O)C1CCCC1	753340262	TVHYHKXHZXNEJC-UHFFFAOYSA-N	324.768	1.505	50	20	DDGD	
Cc1csc([C@@H](C)C(=O)NNC(=S)N[C@@H](C)C2CC2)n1	855097072	ITVMLGJMLPXQRG-IUCAKERBSA-N	312.464	1.849	50	20	DDGD	
C[C@@H]1C[C@H]1c1ccc(CCC(=O)NNC(=O)c2cn[nH]c2)o1	862473736	ZVQPYMUVJBIBOG-BXKDBHETSA-N	302.334	1.520	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1scnc1C1CC1	761072140	KGCMINCNZSHNMI-UHFFFAOYSA-N	310.379	1.153	50	20	DDGD	
CC1(F)CCN(C(=O)NNC(=O)c2ccc(C#N)cc2)CC1	868178272	NCUQCIOMTIXLAW-UHFFFAOYSA-N	304.325	1.737	50	20	DDGD	
CC1(C)CC(=NNC(=O)[C@@H]2CCC(=O)N2)c2ccc(F)cc2O1	863149158	SRNSJJNMTHERKS-NSHDSACASA-N	319.336	1.486	50	20	DDGD	
COC(=O)N(C)N=C1C(=O)Nc2ccc(OC(F)(F)F)cc21	863111598	FCIOTEURHNCFBB-UHFFFAOYSA-N	317.223	1.940	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	864659252	GQLYOXRMVPCRAA-UHFFFAOYSA-N	308.334	1.034	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H](O)[C@H](C)c2ccccc2F)cc[nH]1	869388983	UKMGYEMNODFTFH-IAQYHMDHSA-N	303.337	1.559	50	20	DDGD	
C[C@H](NNC(=O)[C@@]1(O)CCc2ccccc2C1)C(F)(F)F	862319359	BZNHFVYONZPGKY-TVQRCGJNSA-N	302.296	1.478	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCO2)Nc1cccc(F)n1	768109035	UWUKQFXTNXIVLM-UHFFFAOYSA-N	318.264	1.416	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)cc[nH]1	862511986	FUKNEWFKVGTKRW-NWDGAFQWSA-N	322.409	1.804	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)c1ccc2sccc2c1	760303366	BICURINNFALSPX-UHFFFAOYSA-N	305.359	1.187	50	20	DDGD	
C[C@@H](NNC(=O)C[C@H](NC(N)=O)c1ccccc1)C(F)(F)F	862307062	SLXPDOVLYOSBIS-SCZZXKLOSA-N	318.299	1.358	50	20	DDGD	
CC[C@]1(C)CCN(CC(=O)NNC(=O)Cc2ccccc2C)C1	766943201	WQRSHJDVYBPJPE-GOSISDBHSA-N	317.433	1.807	50	20	DDGD	
C[C@@H]1C[C@@H]1C(=O)NCCSSCCNC(=O)[C@@H]1C[C@H]1C	862276706	ARADBVJQCUQWPC-KKOKHZNYSA-N	316.492	1.912	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@H](C)CC2(C)OCCO2)nc1	868858101	AQMWPCMJCMADKY-LLVKDONJSA-N	324.381	1.506	50	20	DDGD	
N#CSCCCNC(=O)[C@H]1CCN(C(=O)c2ccccc2)C1	861551310	MLJNTMMVABIYBH-AWEZNQCLSA-N	317.414	1.869	50	20	DDGD	
CC(C)(C)[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)C(F)(F)F	860968608	WAPBSXXADWODKR-MRVPVSSYSA-N	307.276	1.331	50	20	DDGD	
Cc1ccc([C@@H](C)C=NNC(=O)[C@H](C)NS(C)(=O)=O)cc1	863090403	KSNSNWFJWGPBLA-RYUDHWBXSA-N	311.407	1.138	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H](C(=O)NNc2cccc(Cl)c2Cl)O1	861956693	AEHKXTKIQAVPHV-DTWKUNHWSA-N	318.160	1.469	50	20	DDGD	
C[C@@H](NNC(=O)C1CCN(c2cnccn2)CC1)C(F)(F)F	862307319	JYHMFAJCCXVHRM-SECBINFHSA-N	317.315	1.265	50	20	DDGD	
C[C@@H](NC(=O)c1ccoc1)C(=O)NNc1nc2ccccc2[nH]1	768501399	FCNQGOZKAODJBB-SECBINFHSA-N	313.317	1.418	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC2(CCNC2)CC1	866766030	HAVQMNNCHCUVGW-UHFFFAOYSA-N	308.875	1.657	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=Cc1cnc(C2CCCC2)s1	863187363	IWYHNNGTDVGIAS-UHFFFAOYSA-N	315.420	1.295	50	20	DDGD	
C[C@@H](NNC(=O)Cc1ccc([S@@](C)=O)cc1)C(F)(F)F	862317911	MSPCABRJRDBMQL-ZPWHCFADSA-N	308.325	1.538	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@H](C)OCC1CC1	873768185	XQTNSDHUEBIKQO-JTQLQIEISA-N	323.418	1.828	50	20	DDGD	
O=C(NNc1c(F)cc(C(=O)NC2CC2)cc1F)c1cc[nH]c1	764333372	IGYCMLHHMUNMSP-UHFFFAOYSA-N	320.299	1.942	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)[C@@H](C)[C@@H](C)S(C)(=O)=O	1118023867	VGQKCZGACJYWHE-VHSXEESVSA-N	302.371	1.646	50	20	DDGD	
COc1ccc2c(c1OC)OCC2=NNC(=O)C1CCOCC1	1119361617	NXASSKWANHEKDL-UHFFFAOYSA-N	320.345	1.343	50	20	DDGD	
Cn1nc(C(=O)NN=C2CCC[C@H]2F)c2ccccc2c1=O	872332651	OUJRQYWVXLGPQD-LLVKDONJSA-N	302.309	1.541	50	20	DDGD	
Cc1cc(C)nc(NC(=O)C(=O)NNc2cccc(C#N)c2)c1	773577358	KZIQOUAWKONQOS-UHFFFAOYSA-N	309.329	1.652	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1ccnnc1	772996443	RGEDQKYAJYEGQE-VIFPVBQESA-N	320.736	1.359	50	20	DDGD	
C[C@]1(CNC(=O)N2C[C@H]3CC[C@H]2[C@H](O)C3)C[C@H]1Br	1119299564	TUMZBNHQKKOTMB-ZTVLKNOQSA-N	317.227	1.715	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	875673135	AEENOHNOBIWMHM-GFCCVEGCSA-N	322.409	1.904	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=C1CC(C)(C)OC1(C)C	777900853	VIBWQLMOTWVULF-UHFFFAOYSA-N	313.398	1.961	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@]12CCOC2)c1nc2ccccc2s1	874914259	QJINTPGFKYVMLH-RFAUZJTJSA-N	317.370	1.484	50	20	DDGD	
O=C1C[C@H](CNC(=O)NNc2cccc(F)c2Cl)CN1	875664587	BRDYEFJMHZIDGX-ZETCQYMHSA-N	300.721	1.241	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc2cc[nH]c2n1	779547737	MUMBWTQQQYXHET-UHFFFAOYSA-N	309.420	1.035	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)N[C@@H]1CC12CCC2	872794864	QZLBFDHNPRFNNB-GFCCVEGCSA-N	307.325	1.478	50	20	DDGD	
O=C(NNc1ccc(F)cn1)[C@H]1CC(=O)N(CC(F)(F)F)C1	874651604	RNKDTNXLKLVWON-ZETCQYMHSA-N	320.246	1.075	50	20	DDGD	
CC[C@H](C)n1nc(C(=O)NNC(=O)Cc2ccncc2)cc1C	778023190	GXDMCFMXUYXKPA-NSHDSACASA-N	315.377	1.561	50	20	DDGD	
CC(C)c1ccc(CCC(=O)NNC(=O)c2cccnn2)cc1	882058598	CGSJAFYRASITCU-UHFFFAOYSA-N	312.373	1.994	50	20	DDGD	
CC(C)(O)CCNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	773692309	DGMCUBCUOMJWTI-UHFFFAOYSA-N	323.437	1.694	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@H]1CCCc2occc21	883135218	YPEZFMPPHBLOMO-LBPRGKRZSA-N	307.350	1.414	50	20	DDGD	
C[C@H]1[C@H](C)CCC[C@H]1CNC(=O)NNC(=O)c1cccnn1	883620980	VYXBKKIJFKKRRB-WOPDTQHZSA-N	305.382	1.493	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=Cc1cc2ccccc2[nH]1	788428717	VQTFBJXRVFOYRX-UHFFFAOYSA-N	311.301	1.062	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)N[C@@H]1CCCc2ccccc21	883042124	MNLVCYVUJPNBTI-CYBMUJFWSA-N	311.345	1.498	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C)cc1)c1cc(C)nn1C	788977916	OBYNLLYXRNUNIF-UHFFFAOYSA-N	300.362	1.956	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H]1CCOC2(CCC2)C1	888880781	IZUSUYQFWCJEMK-LBPRGKRZSA-N	318.373	1.806	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNc2cccc3cnccc23)n1	782017795	FERNPZAPBVEVKX-UHFFFAOYSA-N	307.313	1.486	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2cc(Cl)ccn2)c(O)n1	784856723	UCWYINLSKBJCRX-UHFFFAOYSA-N	321.724	1.226	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@H]2CO[C@@H](C)C2)c1	784149589	OAZJCBCGXGRHFW-VHSXEESVSA-N	311.382	1.877	50	20	DDGD	
COc1ccc(NNC(=O)C[C@@H]2OC(=O)c3ccccc32)nc1	781519877	ZLQCOPSWZILHEF-ZDUSSCGKSA-N	313.313	1.835	50	20	DDGD	
Nc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccc([N+](=O)[O-])cc1	787133587	IOIUCTPFRIDNMA-UHFFFAOYSA-N	317.261	1.842	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)[C@@H]1C[C@@H]1c1cccc(F)c1	882660141	MQDIYRYBAGGBTR-GHMZBOCLSA-N	302.327	1.262	50	20	DDGD	
COc1cccc(NNC(=O)COCCOc2ccccc2)n1	780768952	ILNVEVJEHLDALX-UHFFFAOYSA-N	317.345	1.629	50	20	DDGD	
CN1C[C@@H](C(=O)NNc2cccc(C#N)c2)c2ccccc2C1=O	787457387	DYUMRFIQRAVWJZ-MRXNPFEDSA-N	320.352	1.871	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2ccc(C)nc2C)nc1	782145542	UKASGLQJBUKPPK-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)c2cccc(F)n2)cc1	783566481	QGUOARCBJRYKMG-UHFFFAOYSA-N	319.292	1.069	50	20	DDGD	
O=C(NNc1ccc(Cl)c(F)c1)C(=O)Nc1cncnc1	785178826	BQUNCWVIXNGROU-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
Cc1ccc(F)c(C(=O)NNc2ccc(-n3ccnc3)nn2)c1	788175438	SQBRTSNYXNIBQO-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@@H]2COc3ccccc3O2)cn1	780189335	XOTYWULDEUJVOP-AWEZNQCLSA-N	313.313	1.380	50	20	DDGD	
CCNC(=O)CC(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	780992363	QVFZYZGKBMRABB-UHFFFAOYSA-N	314.267	1.546	50	20	DDGD	
CCN(CC)C[C@@H](C)NC(=O)NNc1cccc(C(=O)OC)c1	780826780	YRMQHLNZKNZSBU-GFCCVEGCSA-N	322.409	1.830	50	20	DDGD	
CCc1ncsc1NC(=O)C(=O)NNc1ccnc(F)c1	784849575	XUBKIUDNEVDSIH-UHFFFAOYSA-N	309.326	1.321	50	20	DDGD	
N#Cc1ccc(NNC(=O)CN2CCCCCCC2=O)nc1	899663683	JWLZUTDIFAOFNT-UHFFFAOYSA-N	301.350	1.189	50	20	DDGD	
COc1ccc(NNC(=O)CCc2cncnc2)c([N+](=O)[O-])c1	794397256	BXLDAFLKPUPTNM-UHFFFAOYSA-N	317.305	1.469	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1cnn(CC2CCC2)c1	899338389	PDQCMLACWJBQPB-NVNXTCNLSA-N	302.378	1.743	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(Cn2ccnc2)cc1	798305979	OKQCINQYCHSDAN-UHFFFAOYSA-N	315.402	1.226	50	20	DDGD	
CN(C)c1ccc(CNS(=O)(=O)CCCCCl)cn1	274907747	GJXPHAPREONYOL-UHFFFAOYSA-N	305.831	1.586	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccc(Cl)nn2)cc1	798155251	GICMRUNTDUVBHW-UHFFFAOYSA-N	319.752	1.312	50	20	DDGD	
CSSCCNC(=O)c1ccc(F)c(S(N)(=O)=O)c1	791100812	XTEHFEBUWUVALQ-UHFFFAOYSA-N	324.424	1.214	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2cc(F)cc3cccnc23)CC1	790176419	PBYALHRKWQPKES-UHFFFAOYSA-N	315.352	1.665	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)NCC2CC2)c(C(F)(F)F)n1	797842301	XVIYJIFUILKIFD-UHFFFAOYSA-N	319.287	1.276	50	20	DDGD	
O=C1CCC[C@H](C(=O)NNc2ccc(OC(F)(F)F)cc2)N1	799705832	PFIFUMARFCXJOV-SNVBAGLBSA-N	317.267	1.697	50	20	DDGD	
COC(=O)c1cccc(/C=C(/C#N)C(=O)Nc2ccn(C)n2)c1	1319745870	PFHBTYLBADAXGJ-LCYFTJDESA-N	310.313	1.752	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=S)NC(C)C)cc1F	1317726030	OFWIMXOZTFACAI-UHFFFAOYSA-N	313.398	1.671	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)c2ccc(OC)cc2)c1C	1318204475	FDZQDGQRYLPCLP-UHFFFAOYSA-N	316.361	1.603	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2ccc([S@@](C)=O)cc2)n1	1322445115	CCXAYWNSCXFRAX-OAQYLSRUSA-N	301.371	1.891	50	20	DDGD	
Cc1ccc(OCC(=O)NNc2nncc(N)c2Cl)c(C)c1	1322679560	NSHSIRZWRNNHRQ-UHFFFAOYSA-N	321.768	1.851	50	20	DDGD	
Cc1cc(C(=O)NNc2nc(-c3cccnc3)no2)c(C)nn1	1324672283	DLTIVWLGCDMLMU-UHFFFAOYSA-N	311.305	1.295	50	20	DDGD	
Cc1ccc(C(=O)NNc2nc3ccccc3c(=O)n2C)cc1O	1325057011	AHUYIWNBLUTCEC-UHFFFAOYSA-N	324.340	1.704	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CCc1cn(C)nc1C	1322906036	RKPHCHNSZOHUHA-UHFFFAOYSA-N	300.362	1.431	50	20	DDGD	
Nc1cnnc(NNC(=O)CCCCN2CCCC2)c1Cl	1324008879	IFMOSRVQFDZEDX-UHFFFAOYSA-N	312.805	1.421	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccc(OCC3CC3)nc2)nc1	1331912874	VOQKQXKRKBVEEJ-UHFFFAOYSA-N	309.329	1.894	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cnn3c2NC[C@H](C)C3)n1	1345561843	VYZAMUVJBVAOGS-QMMMGPOBSA-N	301.354	1.108	50	20	DDGD	
CC(=O)NC1CCC(C(=O)NNc2cccnc2Cl)CC1	1348726130	BWCCQLMQXYZEJX-UHFFFAOYSA-N	310.785	1.873	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1[nH]nc(C(F)(F)F)c1C	1346203112	FWSVMRHONZCIMW-UHFFFAOYSA-N	307.301	1.032	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1CCCCCC1=NNC(=O)C(=O)O	1603447155	LUDRFTPQDPKVQP-SECBINFHSA-N	313.354	1.401	50	20	DDGD	
O=C(CCc1cnccn1)NNc1ccc(F)c(C(=O)O)c1	1608318639	CKYAWWTUFFGKRH-UHFFFAOYSA-N	304.281	1.390	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1cc(C(=O)O)sc1C	1600674697	KNECTFOJQTVBDA-UHFFFAOYSA-N	323.334	1.253	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@H]2CC23CCOCC3)c1F	1602448023	KINSAGFCBFIUHU-SNVBAGLBSA-N	308.309	1.784	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@H](Cc2ccccc2)C(=O)O)cn1	1605491355	YFHIFJUIRYDIPO-XIEDVDOYSA-N	324.340	1.139	50	20	DDGD	
O=C(NN=C1CC[C@H](C(=O)O)C1)c1cncn1-c1ccccc1	1601552020	FXVXTIQBSPIUGI-NSHDSACASA-N	312.329	1.843	50	20	DDGD	
Cc1c(NNC(=O)/C=C/CN2CCOCC2)cccc1C(=O)O	1607553584	WGZLHCLHGADLAQ-ZZXKWVIFSA-N	319.361	1.025	50	20	DDGD	
N#Cc1ccncc1C(=O)NNc1cccc(C(=O)O)c1F	1601128183	DWGOZICIFKSSHU-UHFFFAOYSA-N	300.249	1.547	50	20	DDGD	
O=C(Cc1ccc(C(=O)O)cc1)NNc1nc2ccccc2[nH]1	1608358961	ANAJOGCDVRFPLC-UHFFFAOYSA-N	310.313	1.947	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NN=C1CCC[C@@H](C(=O)O)C1	1610678465	CSRLQLBSYXMTNB-LLVKDONJSA-N	314.345	1.783	50	20	DDGD	
CS(=O)(=O)c1ccc(C(=O)NNc2cccc(C(=O)O)c2)o1	1610378513	RPKSEONEMHICIT-UHFFFAOYSA-N	324.314	1.138	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@H]1C(=O)NN=C1CCCOCC1	1549308548	CFZTYHXLTGXEKD-KGLIPLIRSA-N	320.393	1.561	50	20	DDGD	
CC[C@@H]1NCC[C@@H]1C(=O)NNC(=O)COc1cc(C)ccc1C	1577308606	OAXRJYHDOYOPMN-KBPBESRZSA-N	319.405	1.218	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)[C@@H](N)C1CCC1	1579314893	ADIDRIQRCFMKNU-AWEZNQCLSA-N	323.418	1.062	50	20	DDGD	
C[C@@]1(C(=O)NNc2ccc(OC(F)F)cc2)CNCCO1	1576351120	WRHOUBIATOHRQR-ZDUSSCGKSA-N	301.293	1.110	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)CCNC1CC1	1579155465	OLKQWMNWTBVBMB-UHFFFAOYSA-N	311.769	1.252	50	20	DDGD	
C[C@H](CNC(=O)NNc1cc(Cl)nc2ncccc12)C(=O)O	1589055870	FESLWFGJKLWOTO-SSDOTTSWSA-N	323.740	1.630	50	20	DDGD	
N[C@@H]1CCSC2(CC(C(=O)NNc3ncccc3F)C2)C1	1580200700	TVAUDTYVFNFKKT-OPASDULOSA-N	310.398	1.667	50	20	DDGD	
COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)C(C)(C)C)C1	1842664739	QFQYPEWNYWXPFS-NSHDSACASA-N	316.829	1.490	50	20	DDGD	
C=C[C@@H]1OCCC[C@H]1NC(=O)NNc1ccc(C(=O)O)c(F)c1	1588913945	MIOUEJQKNAVKHE-OLZOCXBDSA-N	323.324	1.884	50	20	DDGD	
CCCc1cc(C(=O)NNc2cccc(F)c2C(=O)O)n[nH]1	1596055154	IOSJCWMBGKVAJX-UHFFFAOYSA-N	306.297	1.956	50	20	DDGD	
N#CC[C@H](NC(=O)NNc1ncccc1C(=O)O)C(F)(F)F	1594605637	GKJNNCSQVIGVGD-ZETCQYMHSA-N	317.227	1.250	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(F)c(C(=O)O)c1C	1596860371	CAXQXAMWMHUMRA-UHFFFAOYSA-N	313.285	1.022	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCCc1ccc(-c2nn[nH]n2)cc1	1592662868	LJFNBVJWOKGPTP-ZROIWOOFSA-N	309.329	1.812	50	20	DDGD	
CN(NC(=O)[C@@]1(C(=O)O)C[C@H]2CC[C@H]1C2)C(=O)OC(C)(C)C	1593766034	CUWJSACXAGITSU-AMJWSMQMSA-N	312.366	1.776	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1ccc(C(=O)O)cc1F	1598641595	HVIGHOLKGACHAO-UHFFFAOYSA-N	311.313	1.273	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1ccn(C)c1C	1599376843	UQRUNGTYUMMHIT-UHFFFAOYSA-N	303.318	1.797	50	20	DDGD	
COCCN(CCC(=O)O)C(=O)/C(C#N)=C\c1ccc(O)cc1	1594000968	IFTRNQDXMGWMDU-RAXLEYEMSA-N	318.329	1.249	50	20	DDGD	
CC(C)(C#N)C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1	151245329	ONKIPBKDMWMRSB-UHFFFAOYSA-N	315.308	1.527	50	20	DDGD	
CCO[C@H](C)C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1	151268751	JJLSQHNVJGMODG-SECBINFHSA-N	320.324	1.402	50	20	DDGD	
CCOC(=O)c1[nH]ncc1/C=C(/C#N)C(=O)NC1CCCC1	155826499	BWADQFSJHAMGKE-YFHOEESVSA-N	302.334	1.552	50	20	DDGD	
O=S(=O)(CCCCl)N1CCN(Cc2ccncc2)CC1	37842464	QJUFWXSNXASWAJ-UHFFFAOYSA-N	317.842	1.158	50	20	DDGD	
ICCN1CCC(n2ccnc2)CC1	190928615	DROCUESGKSHHOY-UHFFFAOYSA-N	305.163	1.955	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(N(C)C)cc2)cc1	3333296	LZGSNDIWCRYASE-UHFFFAOYSA-N	313.357	1.836	50	20	DDGD	
Cc1cc(NNC(=O)Cc2ccc(-n3cccn3)cc2)ncn1	172273654	ZYOYNLHQWQANMR-UHFFFAOYSA-N	308.345	1.657	50	20	DDGD	
Cc1nc(CCC(=O)NNC(=O)N(C)C)oc1-c1ccccc1	106757321	PDHGNDBEQZNXLM-UHFFFAOYSA-N	316.361	1.885	50	20	DDGD	
Cc1cccc(S(=O)(=O)NNC(=O)c2ccc(C#N)cc2)c1	57820515	GOTQQPDYNFLRJD-UHFFFAOYSA-N	315.354	1.490	50	20	DDGD	
CN(C)CC(=O)NNC(=O)C[C@@H](c1ccccc1)C(F)(F)F	113427627	HIFGVFCQZUJMBH-NSHDSACASA-N	317.311	1.432	50	20	DDGD	
N#CC1CCN(CC(=O)NNC(=O)c2ccccc2Cl)CC1	57906334	YPGGVSATRMYZHD-UHFFFAOYSA-N	320.780	1.337	50	20	DDGD	
Cc1c(CCC(=O)NNC(=O)c2cccc(Cl)c2)cnn1C	179326755	RRCYYGDNNOTRHA-UHFFFAOYSA-N	320.780	1.776	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)c2ccc(OCC(N)=O)cc2)c1	107377653	UFDNJEUFANVXHF-UHFFFAOYSA-N	313.357	1.924	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1cccc(-n2cccn2)c1	173949957	LDVGJBXLZQROPD-UHFFFAOYSA-N	320.316	1.296	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)CCC(=O)c1ccccc1)C1CC1	175537813	IBIDVYGBPKRTKJ-LLVKDONJSA-N	319.430	1.943	50	20	DDGD	
CN(C)CC(=O)NNC(=O)CSc1ccc(C(C)(C)C)cc1	113424369	QEHJGIWFTBIWDX-UHFFFAOYSA-N	323.462	1.785	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccc(C#N)cc1)c1cccc(O)c1	112456801	OIQHBVJOEHTWQJ-LLVKDONJSA-N	324.340	1.969	50	20	DDGD	
N#C[C@]1(C(=O)NNc2nncc(N)c2Cl)CC12CCCC2	1347825937	PGVPLYXJBHNJLW-ZDUSSCGKSA-N	306.757	1.629	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@@H](c2ccccc2)C1)c1cn[nH]c1	1261792412	WUNJZVOZPKUAQU-CYBMUJFWSA-N	313.361	1.644	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1C[C@]12CCc1ccccc12	173363286	ZMSYVFAWAPFNTJ-BBRMVZONSA-N	301.415	1.572	50	20	DDGD	
C/C=C(\C)C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C	176309737	RHOSTCTWPOYPFK-RUDMXATFSA-N	324.406	1.015	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCc2cccnc2)cc(C#N)n1C	25671986	IVBBZPGHBQQYSN-GIDUJCDVSA-N	305.341	1.824	50	20	DDGD	
Cc1ccc(C(C)(C)C(=O)NNC(=O)N2CCOCC2)cc1	171293061	VSYFWAMUCGMPPU-UHFFFAOYSA-N	305.378	1.346	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1	178835127	JMZJFRDHJJJUGE-UHFFFAOYSA-N	300.274	1.677	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cc(N)nc(Cl)c2)cc1	171182088	FUSCTPWWUXBIKF-UHFFFAOYSA-N	318.764	1.954	50	20	DDGD	
CCOc1ccccc1CNC(=O)NNC(=O)[C@@H]1CCCO1	65484565	VTUWPPBOJQFDSM-ZDUSSCGKSA-N	307.350	1.095	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNC(=O)c1ccccc1Cl	1345023165	FUTUVGGGOZWHIW-SECBINFHSA-N	312.753	1.690	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(Cl)c2)o1	129608829	RRERQRLQJFWCCX-UHFFFAOYSA-N	321.720	1.641	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cccc(OCCF)c2)[nH]n1	186621824	VRDFLHHUPNNUDR-UHFFFAOYSA-N	321.312	1.533	50	20	DDGD	
CC(=O)NCCCNC(=O)NNc1c(F)cccc1Cl	185156152	BJIPFHFZVPCGSB-UHFFFAOYSA-N	302.737	1.631	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@@H]1CC=CCC1	71822103	FXCNZJQXMZMATG-GFCCVEGCSA-N	303.362	1.611	50	20	DDGD	
COc1cc(F)ccc1NC(=O)C(=O)NNc1ccccn1	181406096	DIECPTMTHDQJJY-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc(-c3ncn(C)n3)cc2)n1	182975825	CAQRGMIJJMGJGY-UHFFFAOYSA-N	323.360	1.646	50	20	DDGD	
COC(=O)C1(CNC(=O)c2c(C)nn(CCCl)c2C)CC1	187937521	SDPKCBKBXCOUPF-UHFFFAOYSA-N	313.785	1.422	50	20	DDGD	
C#CCCCCC(=O)NNc1ncc(C(=O)OCC)c(C)n1	182729001	DBMQITQLBLZWSB-UHFFFAOYSA-N	304.350	1.598	50	20	DDGD	
CCNC(=O)CCCC(=O)NNc1ccc(C(F)(F)F)cn1	131657797	DBXYSXDGESGWHU-UHFFFAOYSA-N	318.299	1.850	50	20	DDGD	
CC1CCN(CC(=O)NNc2nc(-c3ccccc3)no2)CC1	137050320	JKEPITHUOZYNCG-UHFFFAOYSA-N	315.377	1.912	50	20	DDGD	
CC1CCN([C@@H](CNC(=O)NNc2ncccn2)C(C)C)CC1	46254683	CWMPBPCIKQNPJM-AWEZNQCLSA-N	320.441	1.859	50	20	DDGD	
O=C(CC1CCCC1)NN/C=C1/C(=O)NC(=O)c2ccccc21	195426288	FJDAUSMBQFDJRM-GXDHUFHOSA-N	313.357	1.499	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCc1cc(OC)ccc1OC	43085491	SICMKSAETCOJCU-UHFFFAOYSA-N	323.418	1.318	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CC[C@@H](C(N)=O)C2)cc1	131730272	OWWXZKJBTGRAHZ-CKXDQPNJSA-N	313.357	1.326	50	20	DDGD	
O=C(COc1ccc(F)c(Cl)c1)NNC(=O)[C@@H]1CCCO1	42968731	ZAPFFZXMDZZVGL-NSHDSACASA-N	316.716	1.184	50	20	DDGD	
Cc1cnc2c(S(=O)(=O)NNC(=O)N(C)C)cccc2c1	194856071	JKVIIMBHBJFVOG-UHFFFAOYSA-N	308.363	1.008	50	20	DDGD	
Cc1ccc2c(CC(=O)NNC(=O)C(C)(C)O)coc2c1C	190055902	ZWLJQQJVJUMZMZ-UHFFFAOYSA-N	304.346	1.510	50	20	DDGD	
CCOCCCCNC(=O)NNC(=O)CCc1ccccc1	195163673	VBNMNPNNGGZSBO-UHFFFAOYSA-N	307.394	1.766	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@@H]1COc2ccccc2C1	81026965	KMRSBCVKVIERCI-AWEZNQCLSA-N	311.341	1.023	50	20	DDGD	
CC1CCN(CC(=O)NNc2cc(C#N)cc(Cl)n2)CC1	93545996	LDFCJXXNHAFPBZ-UHFFFAOYSA-N	307.785	1.782	50	20	DDGD	
Cc1ccc(NC(=O)NNc2ccc(Cl)nn2)cc1C(N)=O	92603220	WVKXUYFQZPOHRS-UHFFFAOYSA-N	320.740	1.686	50	20	DDGD	
C=CCOc1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1OC	96991774	ZURHYNTVIXWOKS-UHFFFAOYSA-N	315.329	1.663	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1[C@@H]2c3ccccc3CC[C@H]21	246409778	QPLCMEUDHCIFGZ-BPLDGKMQSA-N	303.362	1.082	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)N[C@@H]1CC(=O)N(C2CC2)C1	267470429	CMUYBAGEGAGJPE-SECBINFHSA-N	309.757	1.124	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1	269586654	RNEWOJUHQGLRIZ-VAWYXSNFSA-N	309.366	1.510	50	20	DDGD	
CCC[C@@H]1C[C@H]1NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	267773275	ROQBCYKRIUYZRO-GYSYKLTISA-N	319.361	1.345	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2C	267466196	PJEWKETVNYCVIX-SNVBAGLBSA-N	318.377	1.271	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@]1(C)CCCS1	268364593	VBNXVJZFBUAQQU-HNNXBMFYSA-N	323.418	1.925	50	20	DDGD	
O=C(CN1CCSC1=O)NNc1ccc(OC(F)F)cc1	269604404	LSRNWHPSWOBBSF-UHFFFAOYSA-N	317.317	1.900	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2csc(NC3CC3)n2)n1	269211855	BDNQFWNDZCCKHJ-UHFFFAOYSA-N	320.378	1.581	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNc3ccnc(F)c3)(CC1)C2	365294399	XDRJKUIAXYWRKV-UHFFFAOYSA-N	307.325	1.787	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NC[C@H]1CCOC1	263922164	DFGJKAGBARFOHS-CQSZACIVSA-N	305.378	1.376	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccc([C@H]2CCOC2)c1	270449931	DVSIQGLHZPGBNM-ZDUSSCGKSA-N	305.403	1.485	50	20	DDGD	
Cc1nc(C)c(CCC(=O)NN(C)c2ccccc2)c(O)n1	278933043	JHFYOPNSGGXKLU-UHFFFAOYSA-N	300.362	1.899	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc2c(c1)CCC(=O)N2	273372964	YGNYXQOLCVMDPM-UHFFFAOYSA-N	304.350	1.770	50	20	DDGD	
COc1ccc(NNC(=O)Nc2nc3c(s2)COCC3)nc1	275838954	ZZJGMBOWRIBGKT-UHFFFAOYSA-N	321.362	1.768	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc(C(=O)N(C)C)c1	273326432	MIHQYZOWRFQUAA-JTQLQIEISA-N	306.366	1.587	50	20	DDGD	
CC[C@H](C(=O)Oc1ccc([N+](=O)[O-])cc1OC)N1CCCC1=O	272052524	NKIGSSFIARKHHP-LLVKDONJSA-N	322.317	1.910	50	20	DDGD	
CO[C@H](C)C(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	278492848	GVKIOMMCWPWNQA-BDAKNGLRSA-N	300.742	1.290	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCCS2)cc1	282332347	ABSXZOUSIHZIAB-GFCCVEGCSA-N	321.402	1.367	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(C3CC3)cnc2Cl)[nH]n1	281320783	UXLSLYCQQZUPGD-UHFFFAOYSA-N	319.752	1.719	50	20	DDGD	
Cn1cc(-c2nn(C)cc2C(=O)NNc2ccc(C#N)cc2)cn1	370414238	PRQNDDQYXHFRHA-UHFFFAOYSA-N	321.344	1.449	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)Nc1ccc(C2CCC2)cc1	280385521	XJSWPGNLYYCISU-UHFFFAOYSA-N	315.373	1.840	50	20	DDGD	
C[C@@]1(C(N)=O)CCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C1	280492462	BKLXITMFSRTYBG-MRHLJLSQSA-N	300.318	1.657	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2ccnnc2)c(Cl)c1	802051653	YJDIBKCZPXDNCC-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)CCCC#N	290903735	FKIGLBNZKALUKH-UHFFFAOYSA-N	305.334	1.305	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc2oc(O)nc2c1	805156585	ASJZPPDRWQEYQO-UHFFFAOYSA-N	308.363	1.441	50	20	DDGD	
CCC(CC)(C(=O)COC(=O)/C(C#N)=C\C1CC1)C(=O)OC	803503205	KLZWCPDKSPGJFQ-WQLSENKSSA-N	307.346	1.938	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)Nc2ccc(OC)cc2)nc1	802053634	ZIVCIWSSBHKRCC-UHFFFAOYSA-N	310.313	1.538	50	20	DDGD	
O=C(NNC(=O)c1ccnc(-n2ccnc2)c1)Nc1ccccc1	801987019	NDAMTXKCQYLALU-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)[C@H]1COCCN1C1CCCC1	293808334	YIPNSVYDRQBECD-GFCCVEGCSA-N	324.812	1.822	50	20	DDGD	
CC(=O)c1cccc(OCC(=O)NNc2ncccc2F)c1	804214385	VUMXGCCTEFDAPB-UHFFFAOYSA-N	303.293	1.945	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@H]2CCCCC2(F)F)n1	297687208	QCJGKQMJIFDBOV-VIFPVBQESA-N	315.324	1.937	50	20	DDGD	
O=C(NNc1ncncc1F)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2	292969252	IFJTVQXWCTWOGE-FBIMIBRVSA-N	307.329	1.199	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(F)cc3nn[nH]c23)o1	800511496	BORVPUYMIYPRJT-UHFFFAOYSA-N	303.253	1.073	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc2ccccc2c(O)n1	295706580	JFFYZFRFGDYZOE-ZDUSSCGKSA-N	315.329	1.271	50	20	DDGD	
CC[C@H](C)C(=O)NN=Cc1ccc(S(N)(=O)=O)c(Cl)c1	807964245	BAUQOHNXPSJISH-QMMMGPOBSA-N	317.798	1.484	50	20	DDGD	
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NNc1nc[nH]n1	816634119	ZAEMNKHGTPOUQW-UHFFFAOYSA-N	317.740	1.709	50	20	DDGD	
O=C(NCCCC1(O)CCC1)NNc1nc2ccccn2n1	817788058	DJNCUAJMUQQZHI-UHFFFAOYSA-N	304.354	1.051	50	20	DDGD	
CCS(=O)(=O)CC(C)=NNC(=O)Nc1ccc(OC)cc1	814996889	CSDYXIBNQDLXQA-UHFFFAOYSA-N	313.379	1.627	50	20	DDGD	
CN(NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CC1	819650276	XIZCMQWNABWDQX-ZDUSSCGKSA-N	304.306	1.213	50	20	DDGD	
O=C(NNc1ccc(F)cc1)c1cn(C2CCOCC2)nn1	810021909	RIIPGLWSMVKUFW-UHFFFAOYSA-N	305.313	1.526	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NOC/C=C\Cl)cc1	812706713	XNMPGQFXHKZFRZ-UQCOIBPSSA-N	313.741	1.388	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1coc2c(C)cccc12	819163929	OEWNIKBXIITSNT-UHFFFAOYSA-N	305.334	1.722	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H]1CCc2nncn2C1	816663221	NXOGAHYJXBYDEA-JTQLQIEISA-N	316.321	1.200	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC[C@H](c2nc[nH]n2)C1	819723668	FBNGDBCQUHBSFE-IUCAKERBSA-N	315.215	1.930	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NN=C[C@H]2CCOC2)cc1	812433909	NSOSAIRAPIBMIK-CHWSQXEVSA-N	306.362	1.991	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Cc1ccc(-n2cnnc2)cc1	819061330	KWWQUMFKPXLXDJ-UHFFFAOYSA-N	301.350	1.003	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)Cc2cccnc2)ccnc1Cl	810297374	AZUNNTDULHYRBX-UHFFFAOYSA-N	319.752	1.834	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1ncn(C(C)(C)C)n1	812533808	GOITVDJYQFJOBI-UHFFFAOYSA-N	315.377	1.345	50	20	DDGD	
COCC(=NNC(=O)c1cnn(C)c1)c1cccc(Cl)c1	814852334	SZUMKGZWCSNZSH-UHFFFAOYSA-N	306.753	1.854	50	20	DDGD	
O=C(NN=C1COc2ccccc21)c1nnc(O)c2ccccc12	814740627	YJZKKPNUAUBZTK-UHFFFAOYSA-N	320.308	1.862	50	20	DDGD	
CCc1cnc(C=NNC(=O)[C@@H]2COc3ccccc3O2)s1	814701209	QIMBMLMJGOFYDK-ZDUSSCGKSA-N	317.370	1.996	50	20	DDGD	
O=C(NNc1ncncc1F)c1cc(F)c(F)c(F)c1F	817067872	RVLLVPLFJCTVFP-UHFFFAOYSA-N	304.178	1.929	50	20	DDGD	
COc1ccc(C=NNC(=O)c2ccc[nH]2)c(OC)c1OC	725854084	FLBSYYKLBQDVAV-UHFFFAOYSA-N	303.318	1.804	50	20	DDGD	
Cc1cn2ccc(C(=O)NNC(=O)OCC(F)(F)F)cc2n1	824619710	MCGBPCNYVKVCDF-UHFFFAOYSA-N	316.239	1.576	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNC(=O)Cc1ccccc1C)C(C)C	820974676	HMAUMCURONFVRC-OAHLLOKOSA-N	320.389	1.520	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CC1(CNC(=O)OC(C)(C)C)CC1	823918298	UOWWOPYMLDZBHT-LLVKDONJSA-N	315.414	1.025	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H](C(N)=O)c1ccccc1	491105420	QCQDEFWPJLFCIA-SCOADAFUSA-N	321.336	1.642	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cc(C2CC2)nn1C)C1CC1	824446133	GVUOCSAORWXOOZ-QMMMGPOBSA-N	307.423	1.205	50	20	DDGD	
C[C@H]1CCC[C@@]1(C)C(=O)NNc1nc(O)c2cnn(C)c2n1	823325646	DTGQDVGQGDFOFR-RMLUDKJBSA-N	304.354	1.338	50	20	DDGD	
O=C(CCN1CCOC1=O)NNc1nccnc1C1CCC1	495708271	VHEWEWUOPGSCBE-UHFFFAOYSA-N	305.338	1.030	50	20	DDGD	
CC(=NNC(=O)NCCNC(=O)OC(C)(C)C)c1cccnc1	491498715	KJRRLXDXNQEXIJ-UHFFFAOYSA-N	321.381	1.630	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H](C)OCC2CC2)cc1	728204375	JMLBYNPPRRBFAL-GFCCVEGCSA-N	305.378	1.369	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNc1nc2ccccc2[nH]1	827515858	HRDYEUVVDXBLFN-CABZTGNLSA-N	319.365	1.777	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@H]1Cc2ccccc21	826448268	OLVQYNUASBJITO-AWEZNQCLSA-N	306.329	1.650	50	20	DDGD	
CCC[C@H](O)[C@@H](CO)NC(=O)/C(C#N)=C/c1ccc(F)cc1	491162685	TUNGLZYCZYIONS-QQAGXBGCSA-N	306.337	1.371	50	20	DDGD	
O=C(/C=C/[C@H]1CCOC1)NNc1ncc(Br)cn1	493633270	XBJIBZYADGRNET-CMLYIYFCSA-N	313.155	1.275	50	20	DDGD	
COC(=O)N(C)NC(=O)C1=C(c2ccccc2)SCCO1	822838024	MEDSPCDLMLZEPZ-UHFFFAOYSA-N	308.359	1.848	50	20	DDGD	
CCn1c(S)nnc1CNC(=O)[C@]1(C)C[C@@H]1Br	822304610	IHJUPGRXYDLJCB-QUBYGPBYSA-N	319.228	1.376	50	20	DDGD	
C[C@@H]1C[C@H]1c1ccc(CNCc2ccc(B(O)O)cc2F)o1	585017362	VKPXYAMPUJTYEK-QMTHXVAHSA-N	303.142	1.512	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@H](C(=O)OC(C)(C)C)C1CCCC1	823913334	RXPICGXBXXKREP-AAEUAGOBSA-N	314.426	1.478	50	20	DDGD	
COCCOCc1cccc(NCc2cccc(B(O)O)c2)c1	585012408	XOHIEMMQTMJPKC-UHFFFAOYSA-N	315.178	1.142	50	20	DDGD	
CC[C@H](O)[C@H](C)C(=O)NNC(=O)NCc1ccc(Cl)cc1	907644872	YFWQWTSGDBKXDH-CABZTGNLSA-N	313.785	1.577	50	20	DDGD	
CS[C@H](C)CC(=O)NNC(=O)CCNC(=O)OC(C)(C)C	495393262	MSKBYAKPEIAIPM-SECBINFHSA-N	319.427	1.190	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C(C)(C)CO)cc1F	822649123	OJDFZDIXUODCQX-UHFFFAOYSA-N	315.370	1.170	50	20	DDGD	
CNC(=O)NN=CC1CCN(C(=O)OCc2ccccc2)CC1	496006253	TZSMOIAKMPFDIA-UHFFFAOYSA-N	318.377	1.950	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)[C@@H]1C[C@@H]1C(=O)O	739345638	KIAXAMNOTDHYES-KGLIPLIRSA-N	312.325	1.250	50	20	DDGD	
C[C@]1(C(=O)NCCOC[C@@H]2CCCO2)C[C@H]1Br	906712514	VPSQBYHZRYCKEU-UMNHJUIQSA-N	306.200	1.472	50	20	DDGD	
O=C(NN=Cc1c[nH]c2ccc(-c3nn[nH]n3)cc12)C1CCCC1	823269204	ADKXDAGEQRZVLV-UHFFFAOYSA-N	323.360	1.988	50	20	DDGD	
C[C@H](C#N)C(=O)NNC(=O)c1cc(F)ccc1Br	736674195	ABUJCDBEXIBNGD-ZCFIWIBFSA-N	314.114	1.509	50	20	DDGD	
CC(=O)N[C@](C)(C(=O)NNCC(F)(F)C(F)(F)F)C(C)C	827493868	YGQYZVMUVXXIDH-VIFPVBQESA-N	319.274	1.356	50	20	DDGD	
C[C@@]1(NCC(=O)NNC(=O)C2CC2)CCCc2ccccc21	733198441	GSODPKHRZJDLBS-QGZVFWFLSA-N	301.390	1.385	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)[C@]2(C)C[C@@H]2Br)[C@@H]1OC	907386329	TXCJNNYMSIYJEX-YXZBHFDYSA-N	306.200	1.469	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)Nc1nc(CC(=O)O)cs1	736429134	QKYGJOFTXRADFR-UHFFFAOYSA-N	314.367	1.359	50	20	DDGD	
O=C(NCCN1CCOCC1)NNc1cc(F)c(F)cc1F	734652090	DTLAIWDZYSJJRD-UHFFFAOYSA-N	318.299	1.062	50	20	DDGD	
CC(C)CCCNC(=O)NNC(=O)COc1ccccc1O	730820384	HDHXWNHWCUZZCD-UHFFFAOYSA-N	309.366	1.538	50	20	DDGD	
N#C/C(=C\c1cnc2ccc(-c3nn[nH]n3)cn12)c1ccccn1	737672034	LFWBPXNEYOOFRX-KPKJPENVSA-N	314.312	1.974	50	20	DDGD	
COC(=O)CC(=O)NNc1ccc(OCC(F)(F)F)cc1	907094707	QPIVKAVPDPTWLW-UHFFFAOYSA-N	306.240	1.634	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1csc(C)c1	834937513	OPYONSLLXOZORM-SNVBAGLBSA-N	300.405	1.331	50	20	DDGD	
CC(C)(C)NC(=O)CCNC(=O)[C@]1(C)C[C@H]1Br	906542980	AXZPHWWKTFZGNA-PRHODGIISA-N	305.216	1.581	50	20	DDGD	
CCCCn1ncc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1C	831578983	WVMMLRIDHLBXSX-NEPJUHHUSA-N	323.397	1.569	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCc2nn[nH]c21	830756660	DWNYMZJJXDBMQC-SNVBAGLBSA-N	302.294	1.276	50	20	DDGD	
C#CC[C@@H](NC(=O)[C@@H](Br)C(C)(C)C)C(=O)OC	837945072	IAVUAKAUMGJUCH-RKDXNWHRSA-N	304.184	1.477	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H](C)c2ccnc(O)c2)n1	838617732	ALPCHBPBDFFYPS-VIFPVBQESA-N	318.337	1.282	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@@H](O)C1CC1	834583902	IDVOCJNMTCAWPU-PELKAZGASA-N	312.753	1.026	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc(C(=O)OC)cc1F	901421881	KNFJCWFDUXXXLR-JYRVWZFOSA-N	320.320	1.672	50	20	DDGD	
COc1ccc(CN2CC[C@@H](B(O)O)C2)c(OC(F)F)c1	585076656	PAMPARPPNCGONV-SNVBAGLBSA-N	301.098	1.345	50	20	DDGD	
O=C(NN=Cc1cccc(Br)n1)[C@@H]1CCCCO1	834985144	GMJUUQYNRPIKGK-JTQLQIEISA-N	312.167	1.863	50	20	DDGD	
O=C(COCc1ccccc1)NN=Cc1ccc(O)c(O)c1O	737438690	DQTKXHOKZLFGLJ-UHFFFAOYSA-N	316.313	1.470	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNc2ccc3ccccc3n2)CC1=O	839721445	QIHWIDFGMAIVCT-ZDUSSCGKSA-N	312.373	1.936	50	20	DDGD	
CCS(=O)(=O)N[C@@H](C)C(=O)NNc1ccc(Cl)c(F)c1	830842547	DTBFQFKVSILRJS-ZETCQYMHSA-N	323.777	1.250	50	20	DDGD	
CCSc1nnc(S[C@H](C)C(=O)NNC(=O)CC)s1	731904987	VQRRTOTUAMRTDU-ZCFIWIBFSA-N	320.465	1.688	50	20	DDGD	
CN(CC(=O)NNc1ccccc1C(=O)O)[C@H]1CCSC1	833691359	CFTACUOENRPWMW-JTQLQIEISA-N	309.391	1.265	50	20	DDGD	
CC(C)(C)C(=O)NN=Cc1c(Cl)nc(N)nc1N1CCCC1	915967725	RDDOGJIYQYPNFL-UHFFFAOYSA-N	324.816	1.809	50	20	DDGD	
COc1cc(N(C)S(=O)(=O)CCl)cc(OC)c1OC	830688132	IPGNUHVQFWZWDR-UHFFFAOYSA-N	309.771	1.675	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)n1	839704221	PQLXBUCGPKQEBM-TUAOUCFPSA-N	317.393	1.381	50	20	DDGD	
C=C(Cl)CNC(=O)NNC(=O)c1ccc2c(c1)OCCO2	736399061	OIJUVGWTZFNVEJ-UHFFFAOYSA-N	311.725	1.154	50	20	DDGD	
COc1cc(OC)c(C(=O)NNc2ncccn2)cc1OC	913040297	MSENIIXMKVYVCF-UHFFFAOYSA-N	304.306	1.259	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C#N)cc1)[C@H]1C[C@H]2CC[C@H]1O2	834921904	JODFMOSUFNMOPK-BZUAXINKSA-N	313.357	1.997	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc3nc(O)oc3c2)n1	919813614	IBGCJMWIFOWAQD-UHFFFAOYSA-N	301.262	1.089	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)C(=O)NNc1ccccc1[N+](=O)[O-]	837307501	ULNJZAHNOAAPHE-SNVBAGLBSA-N	303.322	1.650	50	20	DDGD	
COc1ccc2c(c1)OCC[C@H]2NC(=O)NNc1ccncn1	836324298	MMOFVYCGWLJWIF-GFCCVEGCSA-N	315.333	1.635	50	20	DDGD	
CC(C)c1ncc(S(=O)(=O)NNC(=O)CC(C)(C)C)[nH]1	747613389	GTSFOPHOWILUOD-UHFFFAOYSA-N	302.400	1.279	50	20	DDGD	
CCC(C)=NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	916324039	XIYMYHIMBDFGKG-UHFFFAOYSA-N	323.418	1.987	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1cnccc1C(C)(C)C	840413716	FLFOXFVQZQEUQH-UHFFFAOYSA-N	308.382	1.246	50	20	DDGD	
Cc1c(C(=O)NNc2ccc(Br)nc2)nnn1C	743405612	IYSFGZVZFUFSJF-UHFFFAOYSA-N	311.143	1.038	50	20	DDGD	
O=C(CCOc1cccc(F)c1)NNC(=O)c1ccncc1	913962079	BKAAMLSXQRSHMT-UHFFFAOYSA-N	303.293	1.451	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)c2ccc(Cl)cc2)CCCNC1	841970658	ONCPAMNFUZGLPJ-HNNXBMFYSA-N	324.812	1.674	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)Cc2cncc(O)c2)o1	848370031	WVPJNRZUEARWQQ-UHFFFAOYSA-N	301.306	1.456	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H]1CCO[C@@H](c2ccccc2)O1	847687720	UUVQFRVNRVXHMU-TZMCWYRMSA-N	307.350	1.183	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@H](C)c1ccccc1	746368994	KYCFAUIPAXIDPY-FZMZJTMJSA-N	308.403	1.717	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccccc2Cl)ccc1=O	748332062	JGWBBLGUVQZYID-UHFFFAOYSA-N	321.764	1.905	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccncc2F)cc1OC	741172211	OASRADYNXJQUPO-UHFFFAOYSA-N	319.292	1.313	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	749758638	OXSOCVLSRFEXPK-NSHDSACASA-N	322.434	1.536	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1ccc(S(C)(=O)=O)cc1	842555813	LGNNPFAVZOPRHE-SMDDNHRTSA-N	324.402	1.355	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2c(C)nn(C)c2C)cc1	916326858	UTMXJGPEFZBZEH-UHFFFAOYSA-N	300.362	1.874	50	20	DDGD	
O=C(O)CCOc1ccc(C=NNC(=O)c2ccncc2)cc1	915933339	TZIRYBIFBNUIAP-UHFFFAOYSA-N	313.313	1.699	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)N[C@H]1CCNC1	841938366	CHCGKRVMXDDSTB-HNNXBMFYSA-N	312.373	1.075	50	20	DDGD	
COC[C@H]1C[C@@H](O)CN1C(=O)[C@@H](Br)C(C)(C)C	846451843	OWYDFBOGEXNNDM-OPRDCNLKSA-N	308.216	1.404	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C(F)(F)c1ccc(F)cc1	843646961	LEKMOTQONSBQLT-KCJUWKMLSA-N	316.279	1.490	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C[C@@H](OC)[C@H]1CCOC1	841602669	HTFUGILKNJOAGL-SWLSCSKDSA-N	321.377	1.261	50	20	DDGD	
COCCOCC(C)=NNC(=O)[C@H](C)CN1CCCCCC1	741164054	VNCXVCFVSJOQQA-CQSZACIVSA-N	313.442	1.654	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)nn1[C@@H](C)C1CC1	843662350	QSWPOCXPZIAPPH-DMDPSCGWSA-N	320.393	1.349	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)c1cccc(C#N)c1)C(C)C	743637496	LEHSTRLOSDONBV-CYBMUJFWSA-N	304.350	1.173	50	20	DDGD	
Cn1ccnc1[C@H](CC(=O)NNc1cccnn1)C(F)(F)F	847714809	BZSSORZUYJFSCR-QMMMGPOBSA-N	314.271	1.389	50	20	DDGD	
O=C(NN=Cc1c[nH]nc1-c1cccs1)N1CCOCC1	745590620	BXLAWZKJQYSCPJ-UHFFFAOYSA-N	305.363	1.514	50	20	DDGD	
CC(=NNC(=O)Cc1cn2ccccc2n1)c1cnc(C)nc1C	747637722	APUGUNKVCYLXNK-UHFFFAOYSA-N	322.372	1.824	50	20	DDGD	
CCC(CC)(CC)C(=O)NNc1ccccc1S(N)(=O)=O	842262800	XMUBIKFPACWHNQ-UHFFFAOYSA-N	313.423	1.994	50	20	DDGD	
CC1(CNC(=O)NNC(=O)Cc2ccccc2F)CCNCC1	841968747	BBTMWDOEODXOJV-UHFFFAOYSA-N	322.384	1.088	50	20	DDGD	
C[C@H](CCN)NC(=O)NNc1ccc(Br)c(F)c1	841967230	LUDMYVIAEKFXJE-SSDOTTSWSA-N	319.178	1.952	50	20	DDGD	
NC(=O)C(=O)NN=Cc1cccc(OCc2ccccc2F)c1	920359068	QTRDSWOZGVABLZ-UHFFFAOYSA-N	315.304	1.340	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCC1(S(C)(=O)=O)CCCCC1	849175507	XYYLAXJREGPKCZ-ZRDIBKRKSA-N	314.407	1.294	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1	747585144	HIRLBNPOLMCRKY-QLFBSQMISA-N	316.405	1.923	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)CNc2cccc(OC)c2)[C@H]1OC	841614726	PKZXPTUMCRNNCL-GDBMZVCRSA-N	321.377	1.403	50	20	DDGD	
CC(C)O[C@@H]1CCCN(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)C1	846719437	XQQYFAXYOHVEJU-UPJWGTAASA-N	313.398	1.042	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=C1CCN(Cc2ccccc2)C1=O	842551234	CFPOUUGRNYWJCZ-TZMCWYRMSA-N	315.373	1.316	50	20	DDGD	
CC[C@@H](CSC)NC(=O)NNC(=O)c1cccc(F)n1	852239574	QEGQBYLSRZQSRH-QMMMGPOBSA-N	300.359	1.306	50	20	DDGD	
Cc1nc(N)nc(C)c1C(=O)NC[C@@]1(C)C[C@@H]1Br	857734436	STGVCYXCGWICKI-QPUJVOFHSA-N	313.199	1.579	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N(C)C2CC2)cc1	920498420	URJLZEQVSOOABI-UKTHLTGXSA-N	314.341	1.766	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)N[C@@H]1CCCC12OCCO2	923813076	QUPJFTWBHZYMIY-GFCCVEGCSA-N	313.304	1.887	50	20	DDGD	
COc1ccc(F)c(CNC(=O)NNC(=O)CC(F)(F)F)c1	856928436	RZMMUYBAFJDGRU-UHFFFAOYSA-N	323.246	1.617	50	20	DDGD	
COCc1csc(C(=O)NNc2ccnc(N(C)C)n2)c1	857132550	JTVWSUSCBQOGDS-UHFFFAOYSA-N	307.379	1.507	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=C1CCCn2nccc21	853279348	QSFRQZJRBZXQCY-CYBMUJFWSA-N	303.410	1.619	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccc(OCc2ccccc2)nc1	751289347	DKIRAJBIVMOVLU-UHFFFAOYSA-N	311.341	1.832	50	20	DDGD	
CC1CC(CNC(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)C1	856961484	IDJVIEYSFYIPOI-CXQJBGSLSA-N	323.368	1.970	50	20	DDGD	
O=C(C[C@@H](n1cccn1)C(F)(F)F)NNC(=O)c1ccc[nH]1	854279394	XTEMQSHKHNNQDM-SECBINFHSA-N	315.255	1.166	50	20	DDGD	
CC(C)(C)OC(=O)[C@@H](C(=O)NNC(=O)C1CC1)C1CCCC1	854180503	MIDNAAOIFICNCI-GFCCVEGCSA-N	310.394	1.692	50	20	DDGD	
CCN(C(=O)CNC(=O)NNC(=O)C(C)(C)C)c1ccccc1	924635676	OROYJJFRWWAJAA-UHFFFAOYSA-N	320.393	1.416	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)C1=NN2CCCN=C2N1	854843307	NAGJWSQZMDRIAG-UHFFFAOYSA-N	306.757	1.070	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)CS(=O)(=O)C(C)C	928336154	CKVGSMKRWPAUHM-UHFFFAOYSA-N	304.799	1.915	50	20	DDGD	
C/C=C(/C)C(=O)NNC(=O)Cn1c(CC)nc2ccccc21	751298458	RGENMUZNQYUSCC-WCIBSUBMSA-N	300.362	1.712	50	20	DDGD	
CCCCn1ncc(NC(=O)NNC(=O)c2ccc[nH]2)c1C	757750255	RLQZXYFUBQJFSH-UHFFFAOYSA-N	304.354	1.786	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CSCCS1)OCC(F)(F)F	856021017	CLMSAEIVXSXQSF-YFKPBYRVSA-N	304.315	1.155	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCCN1CCO[C@@H](C)C1	853607411	YYZMAFXPRDVYEU-LBPRGKRZSA-N	310.373	1.481	50	20	DDGD	
CSc1ccc(NC(=O)NNC(=O)Cc2cccnc2)nc1	758003269	KFJJTYIRPFQGFC-UHFFFAOYSA-N	317.374	1.594	50	20	DDGD	
COC1(CNC(=O)NNc2cc(F)ccc2C)CCOCC1	853883412	JVRDCZZZITUIKK-UHFFFAOYSA-N	311.357	1.956	50	20	DDGD	
CC(C)Oc1cncc(C(=O)NNC(=S)NCC2CCC2)c1	855090484	GHHNPAUOILGCQB-UHFFFAOYSA-N	322.434	1.778	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1ccc2c(c1)CCO2	758387471	MNZMGDZHEWSXBA-UHFFFAOYSA-N	324.340	1.495	50	20	DDGD	
CCC1(CNC(=O)NNc2ncc(Cl)cn2)CCOCC1	856873014	HZDBHEKCPPNHAH-UHFFFAOYSA-N	313.789	1.963	50	20	DDGD	
CCOC(=O)[C@H](CC(=O)NNc1cccnc1Cl)C(C)=O	854929635	GMASQZYRFLLDMT-SECBINFHSA-N	313.741	1.337	50	20	DDGD	
C[C@@]1(CNC(=O)NCCn2cccc2)C[C@@H]1Br	856838870	FBIMZJMZJRQEHI-JQWIXIFHSA-N	300.200	1.961	50	20	DDGD	
C[C@@]1(CNC(=O)NC[C@](C)(O)C2CC2)C[C@H]1Br	856956559	RDWWXDMZCCFMMJ-USWWRNFRSA-N	305.216	1.620	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc(NC(=O)OC(C)(C)C)nc1	858142970	BVPHHDNWKKXQCQ-UHFFFAOYSA-N	322.365	1.846	50	20	DDGD	
C#CCOc1ccc(F)cc1NC(=O)NNC(=O)COCC	756758037	QHBQCJORSARABA-UHFFFAOYSA-N	309.297	1.027	50	20	DDGD	
Cc1ccccc1COCC(=O)NNC(=O)CC(F)(F)F	857009238	XAXGUTSQXMFICH-UHFFFAOYSA-N	304.268	1.611	50	20	DDGD	
O=C(Cn1cc(C2CC2)cn1)NNC(=O)c1cccc(Cl)c1	854196789	MEFJFTVIOMCUAA-UHFFFAOYSA-N	318.764	1.875	50	20	DDGD	
CC(C)C[C@H](C(=O)NNC(=O)C1CCC1)N1CCCCC1=O	755360011	FPCUNCBXAHHLBC-CYBMUJFWSA-N	309.410	1.361	50	20	DDGD	
CCC(=O)c1cccc(NC(=O)NNC(=O)c2c[nH]nc2C)c1	757736563	JSCSEKIFQVSKLY-UHFFFAOYSA-N	315.333	1.777	50	20	DDGD	
COc1cc(C(=O)NN=Cc2cncn2C)ccc1OC(C)C	755569129	FWEOAEFOFFBRPE-UHFFFAOYSA-N	316.361	1.980	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C2(c3ccccc3C)CC2)n[nH]1	869012154	IGIBPKRSOKLXFB-UHFFFAOYSA-N	312.373	1.448	50	20	DDGD	
COc1cc(Cl)c(C)cc1NCc1ccccc1B(O)O	864021421	LAPADYCGAAMPRC-UHFFFAOYSA-N	305.570	1.949	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2ccc(O)c(F)c2)c1	767245451	GMUZVMRGPXQYKZ-UHFFFAOYSA-N	318.304	1.680	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCSC1)c1cccc(OC(F)F)c1	762171486	SPAPMZXHCNKWOL-VIFPVBQESA-N	316.329	1.802	50	20	DDGD	
C[C@H](NNC(=O)CCn1cnc2ccccc21)C(F)(F)F	862305477	OLJICMHALUVOJA-VIFPVBQESA-N	300.284	1.998	50	20	DDGD	
CC(C)Sc1ccccc1NC(=O)C(=O)NNC(=O)C(C)C	763832823	SMIDMTQZPQMHDY-UHFFFAOYSA-N	323.418	1.929	50	20	DDGD	
CC(C)=C(C)C(=O)OCC(=O)NNC(=O)Cc1ccccc1C	767365346	AQQGWUOGHLFUIB-UHFFFAOYSA-N	318.373	1.584	50	20	DDGD	
CC(=NNC(=O)CS(C)(=O)=O)[C@@H](C)c1ccc(Cl)cc1	863186829	NKNIWJXNRORBII-SECBINFHSA-N	316.810	1.980	50	20	DDGD	
O=C(Cc1ccc(F)c(Cl)c1)NNC(=O)[C@@H]1CCCCO1	861853827	RIQLSJRFZGJOKR-LBPRGKRZSA-N	314.744	1.738	50	20	DDGD	
CN(C[C@@H](O)C(F)(F)F)S(=O)(=O)CC(C)(C)CCl	867054683	HJTQBVRKHHBZFX-SSDOTTSWSA-N	311.753	1.436	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCC1=O	763257777	BIQZUHVTQPXNTF-KOLCDFICSA-N	319.317	1.361	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ncc(Cl)s2)c1	1116861742	ZHKOQQXAQGYSIX-UHFFFAOYSA-N	306.734	1.743	50	20	DDGD	
Cc1cc(C(=O)NN=C2CC[C@H](NC(=O)OC(C)(C)C)C2)n[nH]1	863103124	LPHDRVIHGUORCK-JTQLQIEISA-N	321.381	1.881	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)N(C)NC(=O)OCc1ccccc1	862289488	PSEAGAFEJZFKBL-ZDUSSCGKSA-N	321.377	1.434	50	20	DDGD	
CCC(CSc1ccccc1[N+](=O)[O-])=NNC(=O)C(N)=O	766681841	GXUBKBGJNCVKGB-UHFFFAOYSA-N	310.335	1.054	50	20	DDGD	
COc1ccc(C=O)cc1C(=O)NNC(=O)NC1CCCCC1	864462546	ZDTPKIVONXQYJL-UHFFFAOYSA-N	319.361	1.784	50	20	DDGD	
CC(C)Oc1cncc(C(=O)NNC(=O)c2ccccn2)c1	764430004	NXDIUXNYOHPRIS-UHFFFAOYSA-N	300.318	1.339	50	20	DDGD	
CC(C)n1nccc1C(=O)NNC(=O)c1ccc2c(c1)OCO2	764512298	BBYRKLCVNJZMIU-UHFFFAOYSA-N	316.317	1.268	50	20	DDGD	
O=C(CCCOC1CCOCC1)NNC(=O)CC(F)(F)F	869020406	KDJSTVGXIQWYNB-UHFFFAOYSA-N	312.288	1.062	50	20	DDGD	
CCO[C@@H]1CCCC1=NNC(=O)C(=O)Nc1ccc(C)cc1	766431092	MHDAXSRGPUIXLX-CQSZACIVSA-N	303.362	1.995	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NNC(=O)Cc1ccc(F)cc1	862993004	KKMJIEBTQFDIQZ-ZDUSSCGKSA-N	307.369	1.388	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCN2C2CCCC2)cc1	1119007188	CKCGMOFXNOYBJI-OAHLLOKOSA-N	317.389	1.473	50	20	DDGD	
Cn1cc(Br)c(NC(=O)NNC(=O)C(C)(C)C)n1	879965959	WPQAAADHHMWANF-UHFFFAOYSA-N	318.175	1.381	50	20	DDGD	
CCc1cccnc1C(=O)NNc1ccc(C(=O)OC)cn1	767117249	QISNMUKUYBBGSR-UHFFFAOYSA-N	300.318	1.583	50	20	DDGD	
C#CCOc1ccccc1NC(=O)NNC(=O)C1CCOCC1	879284612	HWTSYDFGJOYGEC-UHFFFAOYSA-N	317.345	1.278	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2cncc(Br)c2)c1O	1116395032	CGUMQGXVSUENJF-UHFFFAOYSA-N	312.127	1.338	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)Nc1ccc2c(c1)CCC2	877979131	VTHZIZKQYSLBAW-UHFFFAOYSA-N	303.362	1.755	50	20	DDGD	
Cc1ccc(C(=O)NNc2nc(-c3cccnc3)no2)cc1O	779515246	QKWJZHIQWVQIQC-UHFFFAOYSA-N	311.301	1.903	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)c1ccc(O)nn1	1116634684	SBPAGUJCJUZAFZ-UHFFFAOYSA-N	310.111	1.097	50	20	DDGD	
O=C(NNC(=O)c1c(O)cccc1F)c1ccc2c(c1)OCO2	771853654	IQMFLARZHXLHIO-UHFFFAOYSA-N	318.260	1.335	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(C#N)cs1	772181506	DEHILUAJJMDQSZ-SECBINFHSA-N	323.374	1.359	50	20	DDGD	
O=C(NNC(=O)c1ncoc1[C@@H]1CCCO1)NC1CCCCC1	1116072016	LLVOWWCYSNRVFZ-NSHDSACASA-N	322.365	1.803	50	20	DDGD	
C=CCOc1cccnc1C(=O)NNC(=O)Cc1ccncc1	775492657	PGJGAIWHXIWVRO-UHFFFAOYSA-N	312.329	1.045	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@](C)(CO)Cc1ccccc1OC	870937736	RVKCBGUYXPPNPA-WKOYGUFESA-N	318.373	1.549	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)NCC2CCC2)cc(Cl)n1	777785317	OKRHZBZTTLURIX-UHFFFAOYSA-N	312.826	1.952	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2c(N)cccc2[N+](=O)[O-])n1	779475803	SRGGBXPGBUQFPF-UHFFFAOYSA-N	302.294	1.341	50	20	DDGD	
C[C@@H](C(=O)OC[C@@H](C)CBr)N1CCSCC1	770397207	AIRZDPRFKRAUIJ-UWVGGRQHSA-N	310.257	1.998	50	20	DDGD	
CCCN(CC)C[C@@H](C)NC(=O)NNc1ccc(C#N)cn1	889070162	HIUHKEPMZPNVIF-GFCCVEGCSA-N	304.398	1.700	50	20	DDGD	
CO[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2ccc(C)c(O)c2)C1	882050648	DVTMZGKVXYRTJN-DGCLKSJQSA-N	306.362	1.667	50	20	DDGD	
COc1ccc2c(c1)CC[C@@H](C(=O)NNc1cnnn1C)C2	880121503	NMINLMDKANNGJE-GFCCVEGCSA-N	301.350	1.072	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CCC[C@@H]2OC)cc1F	1120742519	DLUZNXZMWHXEMU-AAEUAGOBSA-N	310.325	1.871	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)c2ncccn2)[C@@H]2CCC[C@@H]21	1122032638	DEGYLDSJDQYIJW-WDEREUQCSA-N	303.366	1.342	50	20	DDGD	
CCCCS(=O)(=O)CC(=O)NNc1ccc(F)cc1OC	898697634	BFGYUJQAJGJMKU-UHFFFAOYSA-N	318.370	1.492	50	20	DDGD	
CC(=O)NNC(=O)c1ccccc1NC(=O)c1ccsc1	789960064	MEFZWKMQBHMICM-UHFFFAOYSA-N	303.343	1.781	50	20	DDGD	
C[C@@H]1[C@@H](C)[S@@](=O)CCN1S(=O)(=O)CCCCCl	780786819	RUIBSAKFSAQRCV-LYGAQUJYSA-N	301.861	1.177	50	20	DDGD	
Cc1oc2ncn(C)c(=O)c2c1C(=O)NNc1ccnc(F)c1	781357536	NQUVNMLEKMDEDV-UHFFFAOYSA-N	317.280	1.126	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)NC(C)C)c(Cl)c1C	783037014	UOYXWMLZYJIUQI-UHFFFAOYSA-N	311.769	1.242	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)CCc2cn[nH]c2)c1	899938957	CXQXESPKMLWYAT-UHFFFAOYSA-N	316.361	1.186	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2occ3c2CCOC3)c1	796138176	BBWRHXCSWZZPPW-UHFFFAOYSA-N	311.297	1.299	50	20	DDGD	
Cn1cc2c(n1)CCC[C@@H]2C(=O)NNC(=O)c1cccc(C#N)c1	798429328	QVLMRIZMBDCFOE-ZDUSSCGKSA-N	323.356	1.173	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1)[C@@H](C)O	790070477	UAAWAERECZZFSG-ZYHUDNBSSA-N	316.361	1.245	50	20	DDGD	
COc1cccc2c1CCCC2=NNC(=O)CN1CCCC1=O	799473888	QOODHZADAGBJCY-UHFFFAOYSA-N	315.373	1.474	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2c(F)cc(C#N)cc2F)n1	794085802	AGRWZIFMVAWGQZ-UHFFFAOYSA-N	316.267	1.615	50	20	DDGD	
Cc1cc(F)ccc1NC(=O)C(=O)NNc1ncccc1C	792378398	QKFZUIFLEKKPQV-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
CSSCCNC(=O)N[C@@H](C)C(=O)NCc1ccco1	790693312	VJYSTLPRRMMOAA-VIFPVBQESA-N	317.436	1.595	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2ccc(-n3ccnc3)nn2)n[nH]1	791159524	SCGFXDHKOVXYAJ-UHFFFAOYSA-N	312.337	1.266	50	20	DDGD	
COCCO[C@@H]1COCC[C@H]1NC(=O)NCCSSC	790829896	FDNFXQUCZRACCM-GHMZBOCLSA-N	324.468	1.117	50	20	DDGD	
COc1ccc(F)c2[nH]c(C(=O)NN=c3cc[nH]cc3)cc12	793786777	QSDKRLVZVIGXPV-UHFFFAOYSA-N	300.293	1.889	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1ccccc1N1CCCC1	1317716543	FLPWFTFYZIEEKC-UHFFFAOYSA-N	314.389	1.359	50	20	DDGD	
COC(=O)C(=O)NN=C1CCCOc2c(C)cc(Cl)cc21	1319809237	RAOZTPJTXKSANL-UHFFFAOYSA-N	310.737	1.814	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc(C)cc3c[nH]nc23)cc1	1318322410	QLAFCNQYLCYHIB-UHFFFAOYSA-N	324.340	1.955	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CO)c1ccc(Cl)c(Cl)c1	1320377870	PUZZPAUPUJBMCG-UHFFFAOYSA-N	305.161	1.411	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C23CCCN2CCC3)ccc1F	1326723519	YVYIDUWPYBSJTO-UHFFFAOYSA-N	321.352	1.684	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2c[nH]cc(Cl)c2=O)c(O)c1	1325232703	FGJFTFGJMLFUNR-UHFFFAOYSA-N	321.720	1.117	50	20	DDGD	
CCS(=O)(=O)Nc1cccc(C(=O)NN=c2cc[nH]cc2)c1	1320786981	AAGXETGRJFJBFL-UHFFFAOYSA-N	320.374	1.022	50	20	DDGD	
Cn1ccc(NNC(=O)Cc2csc(-c3cccnc3)n2)n1	1322272900	HPJYVVPTPQHCTO-UHFFFAOYSA-N	314.374	1.624	50	20	DDGD	
CCn1cc(C(=O)NNc2ncccn2)c(C(F)(F)F)n1	1321158782	OUMVGNVGCBMWAV-UHFFFAOYSA-N	300.244	1.469	50	20	DDGD	
Cc1cc(O)nc2cc(C(=O)NNC(=S)NC(C)C)ccc12	1330103802	FPQUALCTXXVDSR-UHFFFAOYSA-N	318.402	1.766	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cccc(C[S@](C)=O)c1	1334790109	HOBQYWALWLXGLZ-NRFANRHFSA-N	306.387	1.130	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1ccc(-c2cnn(C)c2)cc1	1339670831	RIMRUXDLGRYMAG-OQLLNIDSSA-N	310.357	1.757	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC1(C)CN(C(=O)OC(C)(C)C)C1	1337584270	DOFRTFGQILEYRG-DHZHZOJOSA-N	309.366	1.556	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)/C=C\c2nccs2)cc1	1346249987	PDCLGLFGOKDOSK-SREVYHEPSA-N	317.370	1.691	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)[C@H]1C	1351340033	AIHDMCIZPFBVTN-QISWUMQESA-N	320.393	1.109	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2n[nH]cc2Br)cc1	1351537267	XFHDCGOHQPVRHZ-UHFFFAOYSA-N	306.123	1.801	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)CN2C(=O)CCC2=O)cc1	1527956942	JUEGSPOLYOVUPA-UHFFFAOYSA-N	303.362	1.576	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCc1ccc(C(=O)O)nc1	1601045430	DFPQCZJZUGNKNV-QPEQYQDCSA-N	323.308	1.709	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CCCO1)c1ccc(-c2nn[nH]n2)cc1	1609180606	HNJOUNUIKJZBGV-CYBMUJFWSA-N	314.349	1.276	50	20	DDGD	
O=C(NNC(=O)C(=O)O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1	1601552956	PBMJYQQGHBQMHH-QWHCGFSZSA-N	313.313	1.111	50	20	DDGD	
O=C(O)c1cc(NNC(=O)c2cccnc2S)ccc1F	1608856621	HAZCHOYOASMRCA-UHFFFAOYSA-N	307.306	1.965	50	20	DDGD	
COc1ccc(C(=O)O)c(S(=O)(=O)N2CC=C(C#N)CC2)c1	1607213486	VUZAHVKOKXWNMS-UHFFFAOYSA-N	322.342	1.238	50	20	DDGD	
O=C(O)CCC[C@@H]1CCCC(=NNC(=O)[C@H]2COCCO2)C1	1608708951	BPJDYRBRTKPCTG-WCQYABFASA-N	312.366	1.319	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNC(=O)[C@@H]2CCCS2)s1	1608875187	VUDIRTWUDRVQOJ-LURJTMIESA-N	300.361	1.103	50	20	DDGD	
O=C(Cc1ccnc(F)c1)NNc1cccc(C(=O)O)c1F	1601370874	IJGPKELUIQFVMV-UHFFFAOYSA-N	307.256	1.744	50	20	DDGD	
C[C@@]1(C(=O)O)CCCN1C(=O)/C(C#N)=C/c1ccc(O)cc1	1603292213	DKPVLKQHCQEKEK-YHVDPYDOSA-N	300.314	1.765	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)S)C2	1800077469	OFSGSNHBUUJBMH-HHHUOAJASA-N	318.870	1.960	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)NN=C[C@@H]1CCOC1	1549312552	BIJVSXWTVMDGCQ-SGMGOOAPSA-N	306.366	1.026	50	20	DDGD	
C[C@@H]1[C@](F)(Cl)[C@]1(C)C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1550354271	DDAUQSWMHGIXNQ-FFNLUWKOSA-N	317.792	1.512	50	20	DDGD	
CC[C@@H](C)C[C@H](N)C(=O)NNC(=O)COc1ccc(F)cc1	1576983488	QPNCXYXJIBVYAC-MFKMUULPSA-N	311.357	1.115	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H]1NCCC1(C)C	1579309670	MXYOOUDPFGQSSG-LBPRGKRZSA-N	322.434	1.401	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)C(C)(C)c1ccccc1)[C@H](C)N	1575415632	UQRXRAQWNQGPPH-GXTWGEPZSA-N	305.422	1.731	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)C2=CC[C@@H](N)C2)cc1C	1578061037	LNHNAILCHZKTPI-GFCCVEGCSA-N	303.362	1.662	50	20	DDGD	
C[C@@H]1OC(C)(C)N[C@@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	1576899444	RVTUTUSLOTVWPX-WKEGUHRASA-N	319.192	1.945	50	20	DDGD	
N[C@H](C(=O)NNC(=O)CNc1ccccc1)C1CCCCCC1	1580115574	ZZCXGNYRQPNOQJ-INIZCTEOSA-N	318.421	1.544	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1CC[C@H](C(=O)O)C1)c1ccccc1	1589430157	LJOJVWFSVZWAPA-RDBSUJKOSA-N	318.373	1.829	50	20	DDGD	
C=C(CC(C)C)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	1588441932	JOAIZWZCXDMMQE-UHFFFAOYSA-N	321.772	1.961	50	20	DDGD	
C/C=C/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1845975165	RLPQLHPEWHIMKD-XMVYOAFSSA-N	300.761	1.857	50	20	DDGD	
O=C(O)COc1ccc(C(=O)NNc2cc(Cl)ccn2)cc1	1595119427	VAJLUMXAAYMPBV-UHFFFAOYSA-N	321.720	1.955	50	20	DDGD	
C[C@@]1(C(=O)NNc2ccc(C(=O)O)cn2)C[C@@H]1Br	1593755172	MKVRHIQJVSZGNH-WRWORJQWSA-N	314.139	1.396	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)N[C@@H]2CC=C(C(=O)O)C2)nn1	1590493778	PGYGRDROVPCCQN-SNVBAGLBSA-N	319.365	1.574	50	20	DDGD	
C[C@H]1[C@@H](CN2CC(Oc3ccc(-c4nn[nH]n4)cc3)C2)[C@@H]1Cl	1590169134	ORLBOOSWIUPNCN-CUOATXAZSA-N	319.796	1.803	50	20	DDGD	
C[C@H](Sc1ccccc1C(=O)NNC(=O)N(C)C)C(=O)O	1593672727	WXKIBYZUKGQQII-QMMMGPOBSA-N	311.363	1.168	50	20	DDGD	
C[C@H](CBr)CN1C[C@H]2COCC[C@@]2(C(=O)O)C1	1592210488	DKHXIKYBTCGNQD-JFGNBEQYSA-N	306.200	1.441	50	20	DDGD	
O=C(O)/C=C\c1ccc(C=NNC(=O)c2ccc(CO)o2)o1	1776097028	DLRQWMBHUYKAHK-JYXXCXAHSA-N	304.258	1.227	50	20	DDGD	
COc1cc(C(=O)O)ccc1C=NNC(=O)C1CCOCC1	1776103220	YIUYPPHCUPUOJR-UHFFFAOYSA-N	306.318	1.270	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@@H](c1ccccc1)C1CC1	152495889	WHXNQAKAMAYECJ-KRWDZBQOSA-N	309.369	1.965	50	20	DDGD	
O=C(Cc1c[nH]c2ncccc12)NNc1ncccc1[N+](=O)[O-]	152829635	WOWBKSYAXUQQCE-UHFFFAOYSA-N	312.289	1.552	50	20	DDGD	
CCOC(=O)NNC(=O)Cc1cccc(OCC(F)(F)F)c1	152789427	JUEHYUUHUATGEV-UHFFFAOYSA-N	320.267	1.948	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNC(=O)c1cc(Cl)ccc1O	153215972	ZSILJBWBLHSWPO-UHFFFAOYSA-N	322.752	1.471	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	155351695	AIZDHMQNTFPWBW-ZDUSSCGKSA-N	322.365	1.921	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc2c(cc1F)NC(=O)CC2	157397015	LGXPRRUAOGBXCG-UHFFFAOYSA-N	308.313	1.064	50	20	DDGD	
CC(Cl)(Cl)C(=O)NNC(=O)COCc1ccccc1	180957150	UXYMTEZBUWFYOZ-UHFFFAOYSA-N	305.161	1.544	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@]1(C)C[C@@H]1Br	2280702	HWGCUVGSIUBHSK-QUBYGPBYSA-N	308.245	1.454	50	20	DDGD	
CNC(=O)NNC(=O)CCCc1ncc(-c2ccccc2)o1	56377260	LIVRJBACJNTQTB-UHFFFAOYSA-N	302.334	1.625	50	20	DDGD	
CCc1nc(CC(=O)NNC(=O)c2ccc(C)cc2O)cs1	55314561	ZCCCRSLAWWCSHF-UHFFFAOYSA-N	319.386	1.723	50	20	DDGD	
COc1ccnc(NNC(=O)Cc2c[nH]c3ccc(F)cc23)n1	115330383	SARGJFAZKKQHLN-UHFFFAOYSA-N	315.308	1.791	50	20	DDGD	
CCC[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)c1ccccc1	172223210	QMNHXNAUPLCZDT-CQSZACIVSA-N	315.377	1.906	50	20	DDGD	
Cc1cccc(C)c1NCC(=O)NNC(=O)Cc1cccnc1	173535834	HXZIOVDSVROPFK-UHFFFAOYSA-N	312.373	1.500	50	20	DDGD	
Cc1nn(C)c(C)c1CCC(=O)NNC(=O)c1ccccc1O	29769459	PUUAXLQXJHLZED-UHFFFAOYSA-N	316.361	1.136	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NNc1ccc(Cl)c(F)c1	175422427	YYPNAJDFXPZKIN-UHFFFAOYSA-N	308.762	1.747	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)Cc2ccoc2)c1	119005045	CJWOGHQFGCKUNL-UHFFFAOYSA-N	302.330	1.665	50	20	DDGD	
C[C@]1(CNC(=O)C2(N)Cc3ccccc3C2)C[C@H]1Br	1347941465	VAJMPLLJKTVABE-TZMCWYRMSA-N	323.234	1.772	50	20	DDGD	
Cc1ccc2c(CC(=O)NNC(=O)c3cnn(C)c3)c[nH]c2c1	117680438	MKKPUCPMNHMAMO-UHFFFAOYSA-N	311.345	1.214	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccc(C)[nH]c1=O)c1ccccc1	110341520	GXSIXHHZVNQXNP-CYBMUJFWSA-N	313.357	1.638	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H]2C[C@H]2C2CC2)c(C)c1	175874694	JURNYUDSFXYNHB-KBPBESRZSA-N	301.390	1.909	50	20	DDGD	
COCC[C@H](C)CNC(=O)NNC(=O)c1ccc(OC)cc1	1261365473	PFXYBIJGKBXVAQ-NSHDSACASA-N	309.366	1.312	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1	110760089	ACJQZMWMXNOCNH-VIFPVBQESA-N	322.752	1.600	50	20	DDGD	
CCc1nnsc1C(=O)NNC(=O)Cc1ccccc1F	66785018	LUXPGWZNELBGDS-UHFFFAOYSA-N	308.338	1.243	50	20	DDGD	
O=C(NNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)NC1CC1	64427788	XLCOSGUCJHQWOZ-AWEZNQCLSA-N	319.361	1.351	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccccc1)c1ccc2ccccc2n1	173591965	DCHYNQYOPPVKSM-MRXNPFEDSA-N	321.336	1.729	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)N1C[C@H]2CCC[C@H]2C1	121337669	WJJHUDJMLOPDIM-GASCZTMLSA-N	317.389	1.676	50	20	DDGD	
CN1Cc2ccc(NC(=O)C(=O)NNc3ccccc3)cc2C1	185213292	XSRPCITVFOPTDT-UHFFFAOYSA-N	310.357	1.714	50	20	DDGD	
CCOC(=O)NNC(=O)c1cnn(CC(C)C)c1C(F)F	121967079	DXIWBQXXQNJCAO-UHFFFAOYSA-N	304.297	1.868	50	20	DDGD	
CCc1nnsc1C(=O)NNc1ccc(C(F)(F)F)nn1	124346696	ZPNXATKXXFMBEC-UHFFFAOYSA-N	318.284	1.666	50	20	DDGD	
Cc1ccc(C(=O)NNc2nc3ccccc3c(=O)n2C)c(O)c1	70919795	YGCXGFDNVHGFEX-UHFFFAOYSA-N	324.340	1.704	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cnn(C)c2C)cc1C	120385469	WYKQSGLSTGDNAR-UHFFFAOYSA-N	316.361	1.185	50	20	DDGD	
Cc1cc(NNC(=O)CCn2c(C)csc2=O)nc(C)n1	128661413	RWCPXJPVVCMFRL-UHFFFAOYSA-N	307.379	1.158	50	20	DDGD	
CC1(C)CN(CCNS(=O)(=O)CCCCCl)CCO1	188092436	KSZAROLPERSOKR-UHFFFAOYSA-N	312.863	1.036	50	20	DDGD	
C[C@@H]1CCC[C@](CNC(=O)NNc2cccnn2)(N(C)C)C1	77572684	XTNGTRMOUKSCHT-DOMZBBRYSA-N	306.414	1.613	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cc(F)c(Cl)cc1Cl	75652913	RBRQYMZXWFMMGF-UHFFFAOYSA-N	308.140	1.455	50	20	DDGD	
CC(=O)N1CCc2cc(C(=O)NNC(=O)c3ccncc3)ccc21	184906680	UODOBGCRKYUFNB-UHFFFAOYSA-N	324.340	1.065	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccccc1)c1ccc(Cl)nc1	126560041	CUZHHEWDKNGETR-UHFFFAOYSA-N	311.750	1.358	50	20	DDGD	
CCc1ccnc(C(=O)NNC(=O)Cc2cn3ccccc3n2)c1	181914047	LGOKZSJRLTTWBG-UHFFFAOYSA-N	323.356	1.295	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc(-c3ncn[nH]3)cc2)n1	184377441	HGUSSPWOKQQEHX-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
CCc1n[nH]c(NC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)n1	182291868	SPLINBKEAZVOLP-VZUCSPMQSA-N	309.333	1.431	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)COCC(F)(F)F	132485278	IYUDWPCAWVVFJK-UHFFFAOYSA-N	304.268	1.346	50	20	DDGD	
O=C(NNc1ccncc1)C(=O)Nc1ccc(Cl)c(F)c1	132385959	DLDXGJJKIREXAF-UHFFFAOYSA-N	308.700	1.956	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)c2ccc[nH]2)c(O)c1	190024113	KMAJTYASCGMMQE-UHFFFAOYSA-N	317.345	1.974	50	20	DDGD	
O=C(NNC(=O)c1ccc(NC(=O)C2CC2)cc1)NC1CC1	138648267	ZBDMCBMOCOGUGA-UHFFFAOYSA-N	302.334	1.142	50	20	DDGD	
C=CCC1(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CCC1	191580749	VUCJQLDKBQSJRW-UHFFFAOYSA-N	316.357	1.965	50	20	DDGD	
COCc1ccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)cc1	83676482	PTCYNXYHKYIEMF-JTQLQIEISA-N	307.419	1.740	50	20	DDGD	
CC(C)[C@H](NS(=O)(=O)c1ccc(CCl)cc1)C(N)=O	381805096	KOOBZEGHHJCBFS-NSHDSACASA-N	304.799	1.214	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H](C)C1CCOCC1	268575038	QZGIEOJDDPXMQS-NSHDSACASA-N	321.377	1.454	50	20	DDGD	
CC(C(=O)NNC(=O)CNC(=O)c1cccs1)=C1CCCC1	267883820	UTHCYYVJDVISRZ-UHFFFAOYSA-N	321.402	1.516	50	20	DDGD	
COC(=O)C(C)(C)CNC(=O)NNC(=O)Nc1ccccc1C	268252370	PNNOTGFMFOCMFU-UHFFFAOYSA-N	322.365	1.530	50	20	DDGD	
CC[C@H](C)C[C@@H](C)NC(=O)NNC(=O)COc1ccccc1O	266624444	VWXXSTKQIRQUKE-NWDGAFQWSA-N	323.393	1.926	50	20	DDGD	
O=C(CNC(=O)C1CCCCC1)NNc1ncccc1Cl	265181006	QDJNCVMAOJSPFW-UHFFFAOYSA-N	310.785	1.875	50	20	DDGD	
O=C(C=C(C1CC1)C1CC1)NNC(=O)COc1ccccc1O	264577333	TVVYFDXJTWIHIS-UHFFFAOYSA-N	316.357	1.665	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)C[C@H]1CCc2ccccc2C1	266950548	HHIKZNWAAOPGJF-HNNXBMFYSA-N	323.396	1.967	50	20	DDGD	
CCOC[C@H](NC(=O)NNC(=O)c1ccccc1F)C(C)C	276421853	ALWNWTXVCBQMTI-ZDUSSCGKSA-N	311.357	1.831	50	20	DDGD	
COCCC(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	278518503	KWOSVKQUJYAWKV-SECBINFHSA-N	300.742	1.291	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1CCO[C@H](C2CC2)C1	274141350	CDJDZDHNTXUDTF-ZFWWWQNUSA-N	317.389	1.897	50	20	DDGD	
O=C(NNc1cnccn1)[C@@H]1CCCCN1C(=O)c1ccco1	274714396	BJDHMKSYVCQDQH-NSHDSACASA-N	315.333	1.208	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCCC(=O)OC(C)C)n1	274231615	SQPACAUFFYZUPJ-UHFFFAOYSA-N	309.370	1.451	50	20	DDGD	
CNC(=O)NNC(=O)[C@@H](C)Oc1ccc(C(F)(F)F)cc1	275401877	ISSMCLMSQFVCGQ-SSDOTTSWSA-N	305.256	1.433	50	20	DDGD	
CC(C)n1ncc2c1[C@H](NC(=O)NNc1ncccn1)CCC2	368392506	GFGWUGRRIIOVEK-GFCCVEGCSA-N	315.381	1.958	50	20	DDGD	
COc1ccc(-n2nnc(C(=O)N3CC=C(C#N)CC3)c2C)cc1	272695006	RKOTVARDKUCHPI-UHFFFAOYSA-N	323.356	1.880	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNC(=O)Cc1ccccc1F	273590237	IVNXVGURWJPULF-UHFFFAOYSA-N	316.336	1.490	50	20	DDGD	
C=CCN(CC(=C)CBr)[C@H]1CCS(=O)(=O)C1	279685801	HJIVTDAXKVNKLL-NSHDSACASA-N	308.241	1.613	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(S(C)(=O)=O)ccc1Cl	286222354	FQQQKWGUEUJOMD-UHFFFAOYSA-N	320.754	1.087	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2cc(Cl)ccn2)CCC1	281236339	PFRVEKIJPRQGSN-UHFFFAOYSA-N	303.771	1.145	50	20	DDGD	
COCCc1ccnc(NC(=O)NNc2ccc(OC)cn2)c1	287310512	LFSXTRSFSAGRDQ-UHFFFAOYSA-N	317.349	1.823	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC[C@](O)(C(F)(F)F)CC1	287818336	KSONSZAJHOVIQW-BZYZDCJZSA-N	306.284	1.736	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cccnc2OC(C)C)n1	283803971	ADNZHHCUFUXVHH-UHFFFAOYSA-N	314.345	1.647	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H]1C(=O)NNc1ccc(OC)c(Cl)c1	286095081	OCBUIESYWSNLDF-UWVGGRQHSA-N	312.753	1.991	50	20	DDGD	
C[C@H](Oc1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1)C(=O)O	285574806	SDTADHNMMLZDRV-MJWAUXSNSA-N	300.314	1.724	50	20	DDGD	
NC(=O)[C@H]1CC[C@H](C(=O)NNc2cc(Cl)ccc2Cl)O1	281101903	GSPONPZUKDMYGF-NXEZZACHSA-N	318.160	1.469	50	20	DDGD	
O=C(NCCC1(O)CCOCC1)NNc1cc(Cl)ccn1	286918709	MRNKSVSKSYCXII-UHFFFAOYSA-N	314.773	1.293	50	20	DDGD	
C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NNc1ccnc(F)c1	285502709	AZUVUIUTYAYSFN-VIFPVBQESA-N	312.345	1.825	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCC(C)(C)[N+](=O)[O-])c(O)c1	294852190	NNMPQEKFPMDSSX-UHFFFAOYSA-N	309.322	1.297	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(Cl)n1)n1nnnc1C(C)(C)C	293724257	PTZCAXKTMJFVRI-QMMMGPOBSA-N	323.788	1.723	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccnc(C(F)(F)F)c1	808402136	RHTAMYXNHQCNMB-UHFFFAOYSA-N	324.262	1.499	50	20	DDGD	
CC(C)Cc1ccccc1C(=O)NNC(=O)N1CCN(C)CC1	807380194	CTPVAMZWMRWRCA-UHFFFAOYSA-N	318.421	1.487	50	20	DDGD	
Cc1ccc2nc(C(=O)NNC(=O)[C@@H]3CC[C@H](C)O3)ccc2c1	293966805	RMGWGSLIWMDPCY-NHYWBVRUSA-N	313.357	1.872	50	20	DDGD	
CN(C)c1cc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)ccn1	803432735	SNSXSWYZWHAUCE-UHFFFAOYSA-N	323.356	1.746	50	20	DDGD	
CCc1ccccc1[C@@H]1C[C@H]1C(=O)NNc1nnc(C)c(O)n1	802443402	YTZYGJOKGOBQTI-QWHCGFSZSA-N	313.361	1.695	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1	298931455	AQVHWQDSRMHUIS-MRXNPFEDSA-N	304.346	1.352	50	20	DDGD	
O=C(NCC1(c2ccccn2)CCC1)NNC(=O)C1CCC1	805838858	JDSZPXKJTSGQMH-UHFFFAOYSA-N	302.378	1.634	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Nc1ncn(C)n1)c1ccccc1	297019865	JULHWLGCHIDDFM-LLVKDONJSA-N	302.338	1.162	50	20	DDGD	
CC[C@H]1[C@H](C(=O)NNc2nnc[nH]2)CCN1C(=O)OC(C)(C)C	298451864	PXSMUODLAZAPDE-ZJUUUORDSA-N	324.385	1.283	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CCn2cc(Cl)cn2)n1	295028760	RGPIZPDUEMCEEY-UHFFFAOYSA-N	315.164	1.822	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@@H]1CCc2c(O)cccc21	298034519	SSRXZGOYLBMSGV-OCCSQVGLSA-N	319.361	1.279	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)c1cncc(-n2ccnn2)c1	801946794	OWMJXIQJOMBXFM-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
CC[C@@H]1[C@H](C)CCN1CC(=O)NNC(=O)c1ccc(F)cc1	299196881	DXGBLXPKHZGDRJ-BXUZGUMPSA-N	307.369	1.707	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)C(C)(C)c1ccccc1)C1CC1	291695770	NBACGTWZGZZXRX-QGZVFWFLSA-N	304.390	1.927	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N[C@H]1CCC1(C)C	804867324	PMWKROPYUSQJAO-NSHDSACASA-N	315.377	1.775	50	20	DDGD	
O=C(NNc1ncncc1F)[C@H]1C[C@H](c2ccccc2)OC1=O	817071444	SWJUVSBOCIDKGK-ZYHUDNBSSA-N	316.292	1.363	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CCCc2ccc(N)cc21	814854550	MAELTNXCXXUHTR-UHFFFAOYSA-N	316.405	1.730	50	20	DDGD	
Cc1cccc(Br)c1C(=O)NNC(=O)N(C)C	813427030	ALTXVBJPGJJJIS-UHFFFAOYSA-N	300.156	1.674	50	20	DDGD	
Cc1cn2c(C=NNC(=O)c3cnccn3)c(C)nc2s1	818288197	ZRCRFHNKHNBORM-UHFFFAOYSA-N	300.347	1.567	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=C(C)c2cc[nH]n2)o1	814822686	YZNMQJRIJPXOBV-UHFFFAOYSA-N	303.366	1.999	50	20	DDGD	
CC(=O)N[C@@H]1CCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C1	817280421	FMALRHMYRSTFLF-WXYNBALXSA-N	300.318	1.670	50	20	DDGD	
Cn1nncc1NNC(=O)c1cc(F)cc(Br)c1	816772460	ZYWOFUNINHFSJD-UHFFFAOYSA-N	314.118	1.474	50	20	DDGD	
CN(NC(=O)c1ccc(=O)n(-c2cccc(F)c2)c1)C1CC1	819648405	CWMIAWWUIDFXOB-UHFFFAOYSA-N	301.321	1.716	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=C[C@H](C)C1CCCCC1	814835106	HVEILYIALXHYKM-QWRGUYRKSA-N	303.428	1.243	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)N1CCN(c2ccccc2)CC1	812457842	PGDUWCCBRVPEFX-UHFFFAOYSA-N	324.384	1.479	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1ccc2[nH]ccc2c1	811635396	WPNQXKSMDZBVGK-CYBMUJFWSA-N	314.389	1.586	50	20	DDGD	
Cn1cc(-c2n[nH]cc2C(=O)NNc2cccc(Cl)n2)cn1	817010351	XSCQGDFUUGVAMJ-UHFFFAOYSA-N	317.740	1.616	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCC(C)(C)C(=O)O)c1	818624790	UXXMFHGPYAPEHF-UHFFFAOYSA-N	323.349	1.600	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2(C(=O)C3CC3)CC2)c(O)c1	825498662	OJISEBMBSHPOAK-UHFFFAOYSA-N	302.330	1.221	50	20	DDGD	
CCN(CCO)NC(=O)CCc1nnc(-c2ccsc2)o1	823842751	WSEQEQBQJFPUCJ-UHFFFAOYSA-N	310.379	1.076	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1nc(CN2CCOCC2)cs1	490752824	GPBJJJANYXZZEY-LUAWRHEFSA-N	322.390	1.358	50	20	DDGD	
O=C(NN=C1CCCc2cc(-c3nn[nH]n3)ccc21)C1CCC1	823269392	FBWAFEDACSVBEN-UHFFFAOYSA-N	310.361	1.823	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)C1=C(c2ccccc2)SCCO1	823913487	VNZZIYZEWQIVID-NSHDSACASA-N	308.403	1.462	50	20	DDGD	
Cc1nccc(CCC(=O)NNc2cc(Cl)nc(C)n2)n1	826091390	GHGIITBRKYIOAF-UHFFFAOYSA-N	306.757	1.613	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc3c(c2)CCOC3)n1	829481944	HDUUMTFLLDSJTQ-UHFFFAOYSA-N	314.345	1.623	50	20	DDGD	
O=C(/C=C/c1ccc2c(c1)OCO2)NNC(=O)[C@@H]1CCCCO1	492998651	ZJCWAHUAXTYCPD-IYNGYCSASA-N	318.329	1.145	50	20	DDGD	
O=C(CC[C@@H]1CCCCO1)NNc1cccc(-c2nn[nH]n2)c1	826405705	QKQRQSVIKFMVPY-ZDUSSCGKSA-N	316.365	1.659	50	20	DDGD	
COCCOC[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(F)cc1	490876403	KEBATMAXCPVZEO-OJLMPMFISA-N	306.337	1.900	50	20	DDGD	
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CC1CC1	495890070	FTBKJOBQELAHMF-GFCCVEGCSA-N	313.398	1.483	50	20	DDGD	
OB(O)c1cccc(CN[C@@H](c2ccccn2)C2CCCC2)c1	585026825	KMVSJUZPYJPGKV-GOSISDBHSA-N	310.206	1.783	50	20	DDGD	
COC(=O)N(C)N=Cc1cnc2cnc(Br)cn12	495809590	KRQSXKQNDCKYHK-UHFFFAOYSA-N	312.127	1.524	50	20	DDGD	
COc1ccc([C@@H](C)[C@@H](C)NCc2ccccc2B(O)O)cc1	585026932	UNGRVFRALMZUTJ-UONOGXRCSA-N	313.206	1.657	50	20	DDGD	
Cc1cccc2sc(NNC(=O)C(=O)NCC3CC3)nc12	828358606	MYAZCXIGMGJOJO-UHFFFAOYSA-N	304.375	1.574	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21)Nc1ccc(Cl)cc1	908051038	GCQKYVHHASGRDA-ZMLRMANQSA-N	307.737	1.718	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccc(F)cc1)CN1CCOCC1	739060182	YVPCZSNMMZPDIL-LBPRGKRZSA-N	310.373	1.420	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc(C(=O)O)cc2)cc1	821329954	PEXRHNTZMBCKTC-UHFFFAOYSA-N	309.281	1.331	50	20	DDGD	
C[C@@]1(C(=O)N2CCc3nc(N)ncc3C2)C[C@@H]1Br	827590525	ZAGNWYZWFJYVLM-JOYOIKCWSA-N	311.183	1.117	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1	823951052	HKLASRRYLFCPSO-XJKSGUPXSA-N	323.412	1.524	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2C[C@H](c3cccc(F)c3)C2)c(F)c1	585040026	YKTSAFIUHIZUJG-SAZUREKKSA-N	317.144	1.680	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(C)CC(=O)NC)cc1	490609603	AHYOMRGDCIQTCI-UKTHLTGXSA-N	301.346	1.197	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1	585038575	IEENECVQPYUNPP-CRAIPNDOSA-N	313.181	1.931	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CCCCO2)cc(OC)c1OC	834989432	HPVGZINUODMEHW-GFCCVEGCSA-N	322.361	1.732	50	20	DDGD	
NC(=O)N[C@H](CC(=O)NCC(Cl)Cl)c1ccccc1	837650425	CYWHANXMHYOTEI-SECBINFHSA-N	304.177	1.706	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCC(C)(C)C(=O)O	832978595	MYLDQLACXPQWLH-UHFFFAOYSA-N	308.338	1.442	50	20	DDGD	
CO[C@@H](C1CC1)[C@@H](C)NC(=O)NNC(=O)Cc1ccc(F)cc1	836640144	CARIIXPHTHBPBC-MEBBXXQBSA-N	323.368	1.512	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NN=c1sc2ccccc2n1C	730270510	DBHOAELVLXQIFD-ZDUSSCGKSA-N	314.414	1.269	50	20	DDGD	
COCCOc1ccc(C=NNC(=O)[C@H]2CCCCO2)cc1	834990284	VJESHVLEJLBOMK-OAHLLOKOSA-N	306.362	1.731	50	20	DDGD	
CN(C)CCOc1ccc(CNS(=O)(=O)CCl)cc1	830048937	UMOFJXSREKIOQE-UHFFFAOYSA-N	306.815	1.243	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1C[C@H](C)n2ccnc21	836191129	AFOWTSJPKJYOTA-AAEUAGOBSA-N	313.361	1.842	50	20	DDGD	
O=C(CN1CSCCSC1)NNc1cccc(F)c1	901162905	PGISMEWLZTYKKH-UHFFFAOYSA-N	301.412	1.966	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCSC12CCCCC2	584987053	GFCCQIMSBSHMGT-UHFFFAOYSA-N	305.208	1.216	50	20	DDGD	
CN(CCCNCc1ccc(B(O)O)cc1)C1CCCCC1	585014018	GCIWXUGKPOXTEA-UHFFFAOYSA-N	304.243	1.111	50	20	DDGD	
COc1cc(C(=O)NNc2cc(C)ncn2)cc(OC)c1OC	734255474	IFUOEADNZQVYLF-UHFFFAOYSA-N	318.333	1.568	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1nnc(O)c2ccccc12)C(C)(C)C	734417466	RUUUCNVMMBWVMW-SECBINFHSA-N	316.361	1.779	50	20	DDGD	
C[C@](O)(CNC(=O)[C@@]1(C)C[C@@H]1Br)c1ccco1	906861622	XJAMRJKLGNFKQM-UWJYBYFXSA-N	302.168	1.777	50	20	DDGD	
CCCN(C)CC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	730103593	DUBNXSGHBTXSHG-LLVKDONJSA-N	311.357	1.082	50	20	DDGD	
CC(C)CCn1nccc1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	831700521	IPUSXCNPDJEGKH-RYUDHWBXSA-N	323.397	1.507	50	20	DDGD	
COC(C)(C)CNC(=O)NNC(=O)Nc1cc(F)cc(F)c1	836327515	FQIKYFFBVIYQSR-UHFFFAOYSA-N	316.308	1.726	50	20	DDGD	
O=C(NCc1ncc(-c2ccccc2)o1)NNc1cccnn1	736375188	IPHVJOHNZSDRRG-UHFFFAOYSA-N	310.317	1.958	50	20	DDGD	
CCSc1cccnc1C(=O)NNC(=O)[C@@H]1CCCCO1	833236556	SRHTVCVWXSEQJD-JTQLQIEISA-N	309.391	1.524	50	20	DDGD	
O=C(Cc1cccc(C(=O)O)c1)NNC(=O)c1ccccc1F	833765718	JLAFMALPVSGCBA-UHFFFAOYSA-N	316.288	1.528	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(F)cc1SC	832166042	GRQGFYYKXGGJMI-UHFFFAOYSA-N	301.343	1.737	50	20	DDGD	
CCCN1C[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O	839467870	UUYSBHKBGSTPGR-LLVKDONJSA-N	323.780	1.360	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)C[C@H]1C[C@H]2CC[C@H]1O2	836781544	RYLXSDWHGYTVBS-JTNHKYCSSA-N	304.346	1.874	50	20	DDGD	
O=C(NCC(F)(F)F)NN=C1CCN(CC(F)(F)F)CC1	917551079	NRYGITMNWOAUFH-UHFFFAOYSA-N	320.237	1.862	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)CC(F)(F)F)cc1F	746398728	GXQHYNXODJACAO-UHFFFAOYSA-N	307.247	1.605	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H]1CCCN1Cc1ccc(F)cc1	910164856	ZQNMCZWAGUYYCM-SWLSCSKDSA-N	309.385	1.134	50	20	DDGD	
CC(C)CN1C[C@H](C(=O)NNc2ccc(C#N)cc2)CC1=O	748117585	KLVBIBXGYLZULB-CYBMUJFWSA-N	300.362	1.506	50	20	DDGD	
Cc1cccc2[nH]cc(CC(=O)NNC(=O)[C@H]3CCCCO3)c12	833250528	IMEGCSQOFFJWPK-CQSZACIVSA-N	315.373	1.735	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2	745206069	MHPRAXFAOWOPHU-CPWXYTRJSA-N	309.410	1.447	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@H](C)c1ccco1	741547687	CRTBIHTWWPXGMN-LLVKDONJSA-N	302.330	1.782	50	20	DDGD	
C#C[C@H](NS(=O)(=O)c1ccc(CCl)cc1)[C@@H]1CCCO1	914391870	NUASURLSJLQMKP-KBPBESRZSA-N	313.806	1.885	50	20	DDGD	
CC(C)[C@H](C)NC(=O)COC(=O)/C(C#N)=C\c1cnn(C)c1	837969439	NSFAGJXITJMOGW-LEBPBNDJSA-N	304.350	1.031	50	20	DDGD	
CCc1ccc2c(c1)C(=NNC(=O)NCC(F)(F)F)C(=O)N2	917551977	NYYYWVZNBTXDHT-UHFFFAOYSA-N	314.267	1.767	50	20	DDGD	
O=C(CSc1nc2ccc(F)cc2o1)NNC(=O)C1CC1	919848552	ZJXFQMOVJWXTCB-UHFFFAOYSA-N	309.322	1.616	50	20	DDGD	
COc1ccnc(NNC(=O)c2cccc3c2OCCCO3)n1	845182527	RTSDVJJQNOWWPP-UHFFFAOYSA-N	316.317	1.403	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=Cc2ccc(C(=O)O)[nH]2)cc1	749811331	AQGKGEYUAFIOGJ-UHFFFAOYSA-N	312.285	1.114	50	20	DDGD	
CCN1C[C@@H](CNC(=O)/C(C#N)=C/c2ccc(O)cc2)CC1=O	846462901	JHEPABXJLFQWDL-PFLCFFIHSA-N	313.357	1.284	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccc([N+](=O)[O-])n2C)o1	746524486	YZRVHFZDMFGLAV-UHFFFAOYSA-N	318.293	1.673	50	20	DDGD	
CCC(C)(C)CC(=O)OCC(=O)NNC(=O)c1ccccc1	745775227	BMADGMDFCPIMEE-UHFFFAOYSA-N	306.362	1.817	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccncc1C(F)(F)F	843971044	OISMOWIRUCXZNQ-YUMQZZPRSA-N	317.267	1.286	50	20	DDGD	
C[C@H]1CN(CCNS(=O)(=O)CCCCCl)[C@@H](C)CO1	849429104	IWAVZAPNKWNNLW-RYUDHWBXSA-N	312.863	1.034	50	20	DDGD	
C=CCOCCCC(=O)NNc1ccccc1S(C)(=O)=O	743367934	LANBWWZDUUXATD-UHFFFAOYSA-N	312.391	1.516	50	20	DDGD	
COC(=O)c1cc(NNC(=O)N[C@@H]2CCN[C@H](C)C2)ccc1F	841986943	LPWTUJKQNZMRQO-NXEZZACHSA-N	324.356	1.379	50	20	DDGD	
CCOc1c(Cl)cc(C(=O)NN(C)C[C@H](C)O)cc1OC	910180661	NTWQBKSEIBQTNV-VIFPVBQESA-N	316.785	1.705	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C[C@@H]1CCc2ccccc21	843650527	DLOPTVMEKOZVBC-UBHSHLNASA-N	302.374	1.679	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1C[C@H]1CC(C)(C)C	844136061	CDTSTASOTLSPJC-NWDGAFQWSA-N	314.426	1.995	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)[C@@H]1CCCN(C(=O)C2CC2)C1	743819121	BGQBFCUEAOPYKE-LLVKDONJSA-N	322.796	1.827	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H](C)c1ccc(Br)cc1	910154883	IFQVEBUNAXBTPX-VHSXEESVSA-N	315.211	1.896	50	20	DDGD	
COc1ccc(-c2ocnc2C(=O)NN(C)C[C@H](C)O)cc1	910153998	BIHLORIIVOYYTO-JTQLQIEISA-N	305.334	1.308	50	20	DDGD	
Cc1cc(C)n2nc(C)c(C(=O)NNC(=O)C3CCCC3)c2n1	917105596	HSOQWAYNKNVXNB-UHFFFAOYSA-N	315.377	1.606	50	20	DDGD	
CC(=O)Nc1ccc(CC(=O)NNC(=O)CC2CCCC2)cc1	749950577	IJZFZKLDFSIMHT-UHFFFAOYSA-N	317.389	1.915	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCC#CCN(C)C)cc1	913516397	OEPYLJFNIQKPSL-DTQAZKPQSA-N	311.385	1.673	50	20	DDGD	
COc1ccccc1OCC(=O)NNc1ccnc(N(C)C)n1	740107718	LVJIAEUZEOOTOP-UHFFFAOYSA-N	317.349	1.073	50	20	DDGD	
CC(=NNC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccn1	916316613	YKEJJPXNTXWAIH-UHFFFAOYSA-N	321.340	1.483	50	20	DDGD	
CC[C@H]1CCCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C1	744388077	ZYYPKIZCXZHVOF-ZDUSSCGKSA-N	314.389	1.441	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2csc3cncn23)n1	749188173	GJWIETXVUWYAQI-UHFFFAOYSA-N	308.754	1.905	50	20	DDGD	
Cn1c(NNC(=O)[C@H]2CCn3cncc3C2)nc2ccccc21	848379043	AYBJEIITFJQIAP-NSHDSACASA-N	310.361	1.476	50	20	DDGD	
CCOc1cccc(C(C)=NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1	743531397	VHAMTLSUNOXOOL-CYBMUJFWSA-N	324.402	1.360	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNc1ccc(CC(=O)OC)cc1	846377532	WNZRLWWVVXTZDS-KGLIPLIRSA-N	304.346	1.436	50	20	DDGD	
Cc1ncoc1CNC(=O)NNC(=O)c1cc2c(s1)CCC2	923810925	BHYPUXFTSDVJLW-UHFFFAOYSA-N	320.374	1.677	50	20	DDGD	
Cc1c(NNC(=O)NCCCNC(C)C)cccc1[N+](=O)[O-]	841933495	DHCHBGISLJRTDI-UHFFFAOYSA-N	309.370	1.917	50	20	DDGD	
CCC(CC)(C(=O)NNC(=O)c1ccc[nH]1)C(=O)OC(C)(C)C	845105976	FBWQKCUBIIOYOE-UHFFFAOYSA-N	323.393	1.924	50	20	DDGD	
COC/C(C)=C\C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	844290032	ZTHBUSDJBTXQAW-IEHMKBBKSA-N	310.325	1.333	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCCCCC(=O)O)c1	840992260	UECILYOJCWRFQF-UHFFFAOYSA-N	323.349	1.744	50	20	DDGD	
CCCCCCN(C)CC(=O)NNc1ncnc2[nH]cnc12	743470610	HZXZGBVKOJUHSO-UHFFFAOYSA-N	305.386	1.308	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H](C)Cc1cnc[nH]1)c1ccccc1	847482461	WLUMLFOZLZJXSW-DOMZBBRYSA-N	314.389	1.930	50	20	DDGD	
CCNC(=O)NN=Cc1ccc(OC)c2oc(C(=O)OC)cc12	748787105	ZQUMRVQAGIZVNU-UHFFFAOYSA-N	319.317	1.881	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cnn(C2CCCC2)c1	925871198	PNULYPOZBNJQNX-MFKMUULPSA-N	321.381	1.576	50	20	DDGD	
CC[C@H](CS(=O)(=O)NC[C@]1(C)C[C@H]1Br)OC	856753223	PPHKRGXBDBREIW-BBBLOLIVSA-N	314.245	1.504	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC(CCN)CC2)C[C@@H]1Br	857105504	MGZOADBYHMORIU-WCQYABFASA-N	318.259	1.930	50	20	DDGD	
Cc1nnc(CCNC(=O)NNc2ncc(Cl)cn2)s1	856905201	JNMCVYNCDZQMEA-UHFFFAOYSA-N	313.774	1.159	50	20	DDGD	
C[C@]1(CNC(=O)CCCCCNC(N)=O)C[C@@H]1Br	857401645	GKLDKPNDHICZRT-JOYOIKCWSA-N	320.231	1.505	50	20	DDGD	
CCCCNc1ccccc1C(=O)NNC(=O)c1cc[nH]n1	855359177	IKBLTXWQDOVAAD-UHFFFAOYSA-N	301.350	1.697	50	20	DDGD	
CC[C@H](C)[C@H](O)CNC(=O)NC[C@@]1(C)C[C@@H]1Br	856955152	KFATXFOCLRTALM-MIZYBKAJSA-N	307.232	1.866	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2c(C3CC3)nc3sccn23)cn1	755731295	PYQSOQIPCMQKIP-UHFFFAOYSA-N	314.374	1.771	50	20	DDGD	
CCOc1cccc2c1OCC(C(=O)NNc1cnnn1C)=C2	857272639	DPVWOSVHVHXGIU-UHFFFAOYSA-N	315.333	1.133	50	20	DDGD	
CC[C@H](CCO)CNC(=O)NC[C@@]1(C)C[C@@H]1Br	856953653	MLOYYRUAZFAWBQ-JFGNBEQYSA-N	307.232	1.868	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NNc2ncc(Cl)cn2)C1	857871936	YSYWDRSCLCMOHP-OIBJUYFYSA-N	306.757	1.662	50	20	DDGD	
NC(=O)c1c[nH]c(C(=O)OC[C@H](CBr)C2CC2)c1	859580342	MWQRXYIHEKUYAG-VIFPVBQESA-N	315.167	1.692	50	20	DDGD	
CCn1c(S)nnc1CCNC(=O)NNc1ccc(F)cc1	854152282	FNDHIMGXMMJJHX-UHFFFAOYSA-N	324.385	1.595	50	20	DDGD	
C[C@H]1COC[C@@H]1NC(=O)NNc1ccc(OC(F)F)cc1	926001553	SHOKMHDWPLBSFF-KWQFWETISA-N	301.293	1.949	50	20	DDGD	
C[C@@]1(CCC(=O)NNC(=O)c2cccc(Cl)c2)CCC(=O)N1	753375847	ALIDQDLVMCADHO-HNNXBMFYSA-N	323.780	1.550	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)CCC(=O)c1cnn(C)c1	855369855	CLVFBCMHSZTUQA-UHFFFAOYSA-N	304.325	1.974	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C[C@H](OC)C1CC1	853265791	IHHGGSDKQCOOFQ-HNNXBMFYSA-N	306.362	1.991	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCC(C)CC1)c1cnn(C)c1	920827286	KMZRXGDKOWZGLD-ZDUSSCGKSA-N	305.426	1.628	50	20	DDGD	
Cc1noc(CCC(=O)NNc2ccc([N+](=O)[O-])cc2F)n1	855622043	VKBQXVGRLJNETJ-UHFFFAOYSA-N	309.257	1.501	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)Cc2cccc3ccccc23)[nH]1	755258056	PVLNERRNXIMKDW-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(Br)s1	854929225	BPMINFYOZWONIV-UHFFFAOYSA-N	308.226	1.592	50	20	DDGD	
COc1cccc(C(=O)NNc2cccnn2)c1OC(F)F	753100746	SHGUYWJZJQNMJX-UHFFFAOYSA-N	310.260	1.844	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1sc(C)cc1OC(F)F	854923836	KPVSQXRKFYGHAA-UHFFFAOYSA-N	309.363	1.739	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@]1(C)CCOC1	754347635	WYEXGJVADQDNTM-ZUZCIYMTSA-N	310.325	1.167	50	20	DDGD	
N#C/C=C(\c1ccccc1)N1CCN(S(=O)(=O)C2CC2)CC1	859483498	ATEUEMZDIRADGM-LZYBPNLTSA-N	317.414	1.661	50	20	DDGD	
CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)NNC(=O)C(C)(C)C	852084105	QAGVWTSBYQYCQO-ZUZCIYMTSA-N	313.398	1.485	50	20	DDGD	
CC(C)OCc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1	755282347	PEODFYCZCUQOJH-UHFFFAOYSA-N	316.361	1.338	50	20	DDGD	
CCc1nn(C)c(CC)c1CC(=O)NNc1ncc(Cl)cn1	857357753	CCKAPFSLXJQNPE-UHFFFAOYSA-N	322.800	1.674	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1ccc2occc2c1	852394020	LELFEVMUCRBIMW-ZWNOBZJWSA-N	317.345	1.688	50	20	DDGD	
CO[C@@H](CNC(=O)/C(C#N)=C/c1cnn(C)c1)C1CCCC1	856154666	NMNOLBXWPFVHJC-LULHVWEPSA-N	302.378	1.648	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)COc2ccccc2O)C[C@H]2CC[C@H]1C2	859270934	LNGDGQXSEOGGSM-NVGCLXPQSA-N	318.373	1.745	50	20	DDGD	
COCCOC1CN(C(=O)NC[C@@]2(C)C[C@H]2Br)C1	856953336	QSWPJVQWZBMPBM-ZYHUDNBSSA-N	321.215	1.217	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)/C(C)=C/c1ccco1	854286169	VKHBLVDQAJSTTF-ZHACJKMWSA-N	311.407	1.557	50	20	DDGD	
O=C(NN=Cc1cnc([C@H]2CCCO2)s1)C(=O)N1CCCC1	755685126	OZOTWTGNEVIUES-LLVKDONJSA-N	322.390	1.067	50	20	DDGD	
Cc1ncc(NC(=O)NNC(=O)c2cc3ccccc3o2)cn1	756370140	HYGQLRJDFWUNRQ-UHFFFAOYSA-N	311.301	1.998	50	20	DDGD	
CCSC1(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CC1	852394560	URYZEFHQYQDEMW-VHSXEESVSA-N	301.412	1.028	50	20	DDGD	
COC(=O)C1CCC(=NNC(=O)[C@@H](C)CN2CCCCC2)CC1	754919379	XVGSDSOEDRNXQT-LSLKUGRBSA-N	323.437	1.944	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1cccc2c1OCO2	757995514	NAEQBEWUTIJVFT-UHFFFAOYSA-N	300.274	1.277	50	20	DDGD	
Cc1[nH]nc(C(=O)NN[C@H](C)C(F)(F)F)c1Br	862310262	TXPKRZCPXCBDFM-SCSAIBSYSA-N	315.093	1.666	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CCN3CCC[C@@H]23)cc1C	765570998	YRSPBMVQBHEASM-HNNXBMFYSA-N	314.389	1.582	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)/C=C/c1ccccc1C(F)(F)F	867672769	TUZHILPFULSQMP-BQYQJAHWSA-N	316.279	1.637	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](C)Cc1ccc(F)cc1	764461249	VTKRUCQCQNVXCP-SNVBAGLBSA-N	304.325	1.946	50	20	DDGD	
N#C/C(=C/c1cn(C[C@H]2CCCO2)nn1)C(=O)NC1CCCC1	865216886	DXZUGVUUWCPTQO-LDCOFTPGSA-N	315.377	1.423	50	20	DDGD	
CN(C)C[C@@](C)(O)CNC(=O)[C@@H](Br)C(C)(C)C	768326859	ZQQIAMNTUFSZJS-SKDRFNHKSA-N	309.248	1.225	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NC[C@@H](O)c1ccccc1	866828490	MSLJNYHMFIOIOX-GFCCVEGCSA-N	305.827	1.904	50	20	DDGD	
O=C(/C=C\CN1CCOCC1)NNc1cccc(F)c1Cl	869390191	RSHRSDNRYVSMEW-DJWKRKHSSA-N	313.760	1.811	50	20	DDGD	
CSCCNC(=S)NNC(=O)CCc1csc(C)n1	769764792	FLPQKFOOLODJTA-UHFFFAOYSA-N	318.493	1.242	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](C)n1ccc(C(F)(F)F)n1	867278484	BENLWHBMDMZRGC-SSDOTTSWSA-N	307.276	1.155	50	20	DDGD	
CCOc1ncccc1CNS(=O)(=O)CBr	769934000	MGSITNVARITIJN-UHFFFAOYSA-N	309.185	1.252	50	20	DDGD	
CC(=O)CCCCCCC(=O)NNc1ccnc(N(C)C)n1	764325733	BYOZMORAGZPPFW-UHFFFAOYSA-N	307.398	1.915	50	20	DDGD	
CCO[C@@H]1CCCC1=NNC(=O)COc1ccccc1C#N	766433791	OSDFGUGPJAYMBQ-OAHLLOKOSA-N	301.346	1.998	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)COC(=O)CC(C)(C)C	767256901	JBHBWNSXJVHANN-UHFFFAOYSA-N	320.389	1.664	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)CC(F)(F)F)c1ccccc1F	760812928	RATLWARAIVXLFT-LBPRGKRZSA-N	322.258	1.787	50	20	DDGD	
O=C(NN=C1CC[C@H]1c1ccccc1)[C@H]1CCS(=O)(=O)C1	769776804	DLWPTRCCHQELQO-STQMWFEESA-N	306.387	1.471	50	20	DDGD	
CC(=NNC(=O)c1cc(C)[nH]n1)c1ccc2c(c1)CCC(=O)N2	764796924	LNZBTWZQRUXRHM-UHFFFAOYSA-N	311.345	1.757	50	20	DDGD	
COc1ccnc(NNC(=O)c2coc(C3CCOCC3)n2)n1	769688121	HMXGZCMTNPVCSN-UHFFFAOYSA-N	319.321	1.124	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNC(=S)Nc1cccc(C)c1	873775573	KXQFOFOYVCEOJY-UHFFFAOYSA-N	309.391	1.654	50	20	DDGD	
CN(NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(N)=O	778416508	AHPVHQJOMOWKEU-UHFFFAOYSA-N	317.099	1.013	50	20	DDGD	
CCC(=O)c1cc(C(=O)NNC(=S)NC(C)C)ccc1F	1116387846	OONTZEXIBFYKTE-UHFFFAOYSA-N	311.382	1.936	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2ccc(Cl)nc2)nn1C	1116526637	XJYUWNJEKBCWMS-UHFFFAOYSA-N	307.741	1.106	50	20	DDGD	
COC1(CO)CCN(C(=O)[C@@H](Br)C(C)(C)C)CC1	773245246	WQFDFYZCOCTGNS-SNVBAGLBSA-N	322.243	1.796	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNC(=O)CCc1ccccc1)C(C)C	874265450	WXUSVKZKZBFDPC-OAHLLOKOSA-N	320.389	1.602	50	20	DDGD	
CNC(=O)CCCCC(=O)NNC(=O)c1cccc(Cl)c1	779724250	IPBYBVQZYSUPEU-UHFFFAOYSA-N	311.769	1.407	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2c(Cl)nc(N)n2C)cc1	1117740642	CNSOQPFWNQBYGV-UHFFFAOYSA-N	307.741	1.428	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCOCc1ccc(OC)cc1	875451116	ZVDGJJCBAZKQHJ-UHFFFAOYSA-N	311.338	1.124	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNc1ccc(F)cn1	874649982	MMPAIARQFMQDCP-SECBINFHSA-N	305.357	1.893	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C	771912798	HEGRTJBLWFRWSP-LOWVWBTDSA-N	310.394	1.714	50	20	DDGD	
CC1(C)OCC(C)(C(=O)NNc2nccnc2Cl)CO1	775605730	HMFDCNDTMBLMOT-UHFFFAOYSA-N	300.746	1.362	50	20	DDGD	
COC(=O)[C@@H](C)n1cccc1C=NNC(=O)NCc1ccco1	774585331	AOJNREKGVOMGLL-LLVKDONJSA-N	318.333	1.648	50	20	DDGD	
CN(C)C(=O)c1cc(NC(=O)NCC(Cl)Cl)ccn1	878765930	RVEIHTZCVAFHBR-UHFFFAOYSA-N	305.165	1.709	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNc1ncccc1C(F)(F)F	878916135	GWTFVBLDTYDGNT-SECBINFHSA-N	304.272	1.458	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CC[C@]2(C)CCC(=O)N2)cc1	770548877	IDMBXCUAHWIYKK-KRWDZBQOSA-N	317.389	1.459	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@H]2CC=CCC2)cc1	1115899048	KZDXQVGJJRGCFC-LBPRGKRZSA-N	303.362	1.996	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H](O)Cc2ccccc2Cl)n1	773726153	JMHFJRZXZAHGSN-LBPRGKRZSA-N	321.764	1.790	50	20	DDGD	
COC(=O)[C@@]1(C)CN(C(=O)NCCSSC)C[C@@H]1C	875568737	JJUSJBAOCVWWRB-CABZTGNLSA-N	306.453	1.838	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(F)c(F)c(F)c1	772089270	BLSJBJSZSLNYNS-ZCFIWIBFSA-N	318.251	1.207	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(C)n([C@H](C)C2CC2)n1	777372273	QTKVDYRQYSNQRS-LLVKDONJSA-N	307.398	1.907	50	20	DDGD	
CNC(=O)C[C@H](C)NC(=O)NNc1cccc(F)c1Cl	875647533	NTWIMVGGALUNAV-ZETCQYMHSA-N	302.737	1.630	50	20	DDGD	
CC(C)(CN1CCOCC1)C(=O)NNc1ccccc1[N+](=O)[O-]	873738311	JHFHZSVUHOGMRR-UHFFFAOYSA-N	322.365	1.396	50	20	DDGD	
COc1ccc(NCC(=O)NN=Cc2ccc(F)nc2)cc1	777420955	OPELMZLTYKAGIG-UHFFFAOYSA-N	302.309	1.792	50	20	DDGD	
O=C(CSCC(=O)N1CCCCC1)NNc1ccccn1	777472994	SCUOKPPFJDAVHY-UHFFFAOYSA-N	308.407	1.270	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1	887142835	BZHKNJSXFAPYPA-MRXNPFEDSA-N	324.384	1.478	50	20	DDGD	
CCc1cnccc1[C@H](C)NC(=O)NNc1nccc(OC)n1	774329136	LOGVTIKMKVLMGU-JTQLQIEISA-N	316.365	1.830	50	20	DDGD	
C[C@H](c1ccccc1)[C@@H](NS(=O)(=O)CCCCl)C(N)=O	882215391	SAUYOXVDXOTUGT-ZYHUDNBSSA-N	318.826	1.192	50	20	DDGD	
CCC[C@H](C(=O)NNc1nccc(OC)n1)c1ccccn1	773776315	GVOZTKFDGQXIIP-NSHDSACASA-N	301.350	1.907	50	20	DDGD	
CC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)CC(C)(C)CCl	885386683	XSNHIMBQOPMBQT-ZJUUUORDSA-N	312.863	1.474	50	20	DDGD	
CC(C)CN1CCC[C@@H](CNS(=O)(=O)CCCCl)C1	882005725	QAKHGRXFYGWAAG-ZDUSSCGKSA-N	310.891	1.903	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)NNc2c(F)cc(F)cc2F)C1	885152073	UWZZDBWPAIHRJU-AWEZNQCLSA-N	315.295	1.806	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ncccn1	888690878	RBVFRFPXXNPDAB-UHFFFAOYSA-N	315.377	1.846	50	20	DDGD	
O=C(NNS(=O)(=O)c1sccc1Cl)C1CCOCC1	882804543	MHGADPQZALMAJA-UHFFFAOYSA-N	324.811	1.138	50	20	DDGD	
COc1ccc(N(C)S(=O)(=O)CBr)cc1OC	782424290	XCFRYOANWBGPMP-UHFFFAOYSA-N	324.196	1.822	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)N[C@H]1C[C@@H]1C1CCCCC1	883458435	JKUDKXDMPAZWAN-YPMHNXCESA-N	303.366	1.389	50	20	DDGD	
CN1CCc2ccc(NC(=O)C(=O)NNc3ccccc3)cc21	784765248	RHGKYGHNVXJPJR-UHFFFAOYSA-N	310.357	1.761	50	20	DDGD	
O=C(NN=Cc1cn(Cc2cccnc2)nn1)c1ccccc1	783771048	AKKYAZDEPIKHAI-UHFFFAOYSA-N	306.329	1.485	50	20	DDGD	
CCC1(CNC(=O)NNc2ncncc2Cl)CCOCC1	787887333	YRMLBCNMPGGZHW-UHFFFAOYSA-N	313.789	1.963	50	20	DDGD	
COc1cccc(NC(=S)NNC(=O)Nc2noc(C)n2)c1	781109480	BGXYQNMPYUUVJI-UHFFFAOYSA-N	322.350	1.410	50	20	DDGD	
COc1ccc(OCC(=O)NNc2ncncc2Cl)cc1C	781831637	MAPQSOGHLDJDMM-UHFFFAOYSA-N	322.752	1.969	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NC[C@@H]1Cc2ccccc2CN1	892813186	WLHKMSHYQLDWCV-AWEZNQCLSA-N	318.421	1.468	50	20	DDGD	
Cc1nn(C)c2ncc(NC(=O)C(=O)NNc3ccccc3)cc12	784767375	OSSFQRDUQLZVGG-UHFFFAOYSA-N	324.344	1.359	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@H]1CCCc2c(O)cccc21	789901811	YHQMVZLDRCIFFX-JTQLQIEISA-N	316.279	1.912	50	20	DDGD	
Cc1ccc2nc(C=NNC(=O)Cn3nc(C)cc3C)cn2c1	788975866	SHPZUCFMTOFRGL-UHFFFAOYSA-N	310.361	1.606	50	20	DDGD	
COC(=O)CCCC(=O)Nc1cccc(NC(=O)NN(C)C)c1	788254871	LYSQEGHIGDSAAZ-UHFFFAOYSA-N	322.365	1.567	50	20	DDGD	
O=C(NC[C@@H]1C[C@@H]2CC[C@H](C1)N2)NNc1cncc(Cl)n1	892604177	BAFUMMPKFYSCOM-ILWJIGKKSA-N	310.789	1.287	50	20	DDGD	
CCn1nc(C2CC2)cc1C(=O)NNc1nccnc1Cl	894973853	ZVEJZTXDHAFQOZ-UHFFFAOYSA-N	306.757	1.981	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)c1ccc(OCC(F)F)cc1	783807287	TUCMQRDTBOEDNE-UHFFFAOYSA-N	322.333	1.296	50	20	DDGD	
O=C(NNc1ccc(F)cc1)C(=O)Nc1nc2c(s1)CCC2	789719707	FRJFECCSNNGXPD-UHFFFAOYSA-N	320.349	1.853	50	20	DDGD	
CCc1cc(C)cc(CC)c1NC(=O)C(=O)NNC(=O)C(C)C	796991044	ZDLANCAAVUUZMO-UHFFFAOYSA-N	319.405	1.862	50	20	DDGD	
COc1ccccc1-n1nccc1C=NNC(=O)C(C)(C)O	797403234	DZELUQLDECSAIK-UHFFFAOYSA-N	302.334	1.102	50	20	DDGD	
Cc1cc(C)n2nc(NC(=O)NNc3ncccc3C)nc2n1	790596850	NDVWVBJTNJHZKF-UHFFFAOYSA-N	312.337	1.593	50	20	DDGD	
Cc1cccnc1NNC(=O)CCNC(=O)C1CCCCC1	791216961	JVFZMBJRTFWWPE-UHFFFAOYSA-N	304.394	1.920	50	20	DDGD	
CCCNC(=O)NNC(=O)c1c(-c2cccnc2)noc1C	795624585	HYABHOQEVCNMBJ-UHFFFAOYSA-N	303.322	1.399	50	20	DDGD	
CCn1cccc(CNC(=O)NCCSSC)c1=O	790847327	MTRICRXLWSNIDP-UHFFFAOYSA-N	301.437	1.679	50	20	DDGD	
CCc1occc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	797399991	JPYQIMBWRKCMOS-UHFFFAOYSA-N	303.274	1.825	50	20	DDGD	
CC(C)(C)OC(=O)CCSCC(=O)NNC(=O)C1CC1	799307702	RPPYDWXXPRWNPX-UHFFFAOYSA-N	302.396	1.009	50	20	DDGD	
CN(C)C(=O)c1ccc(C(=O)NNc2nc3ccccn3n2)cc1	791254191	XASYSPNEOWNDHN-UHFFFAOYSA-N	324.344	1.188	50	20	DDGD	
O=C(CCCc1ccccc1)NNS(=O)(=O)c1ccoc1	795320419	QHXXUOLDGZALNM-UHFFFAOYSA-N	308.359	1.612	50	20	DDGD	
C[C@H](NC(=O)NNc1nc2ccccn2n1)c1cccc(C#N)c1	790407102	SIDPWWDSPKYUAY-NSHDSACASA-N	321.344	1.988	50	20	DDGD	
CC[C@@H](C)n1ncc(NC(=O)NNC(=O)c2cnn(C)c2)c1C	792484234	ZIAOEFBKMQTEDT-SECBINFHSA-N	319.369	1.363	50	20	DDGD	
COc1ccc(OCCNS(=O)(=O)CCCCl)cc1	695214621	WMEVMCXCPLWNHW-UHFFFAOYSA-N	307.799	1.622	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=C1CCCOc2ccc(F)cc21	1317786744	JFUBQHRAVMMAQQ-UHFFFAOYSA-O	314.340	1.806	50	20	DDGD	
CC[C@@H](OC1CCCC1)C(=O)NNc1nncc(N)c1Cl	1319303003	LTQVCQPPEMYQBB-SNVBAGLBSA-N	313.789	1.893	50	20	DDGD	
Cc1ccc(OC[C@H](C)NC(=O)NNC(=O)c2cn[nH]c2)cc1	1329158365	DUMZFWOQVPJYCM-NSHDSACASA-N	317.349	1.130	50	20	DDGD	
CCN(C)C(=O)c1cccc(C(=O)NNc2ccn(C)n2)c1	1320949194	OEQFWATYZDPGFR-UHFFFAOYSA-N	301.350	1.269	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(C=O)cc1	1323517574	JTWJHPMLOBOWDB-SNVBAGLBSA-N	309.391	1.170	50	20	DDGD	
CCCOc1c(Cl)cc(C=NNC(=O)CCO)cc1OC	1323529485	FZRPNFCAZFTSFC-UHFFFAOYSA-N	314.769	1.970	50	20	DDGD	
COC(=O)C(=O)NNC(=O)NC[C@@H](Cc1ccccc1)C(C)C	1320621493	VMZRKWVMTGFLGS-CYBMUJFWSA-N	321.377	1.005	50	20	DDGD	
COc1cc(C=NNC(=O)c2n[nH]c3c2CCCC3)ccc1C#N	1321668683	PZWMIGLSPBTTAP-UHFFFAOYSA-N	323.356	1.933	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H](C)c2cnn(C)c2C)n1	1322419121	ZKFPELQWLRFIOO-JTQLQIEISA-N	316.365	1.137	50	20	DDGD	
CC(=NNC(=O)c1cncn1-c1ccccc1)c1csnn1	1326233698	BDEBVEREJIVCGT-UHFFFAOYSA-N	312.358	1.878	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)C1CCC1)c1ccc(F)cc1	1323667360	LNAGHMWXHPUISO-ZDUSSCGKSA-N	309.341	1.644	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)[C@]1(F)CCOC1	1326072601	ZOVSIRYCGPQHAV-ZDUSSCGKSA-N	315.732	1.299	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1ccc(Cl)cn1	1328789831	CHCKEPORECLJTF-UHFFFAOYSA-N	319.752	1.412	50	20	DDGD	
COc1cccc(NNC(=O)c2sc(N(C)C)nc2C)n1	1337467964	RXUPRNVRUSDELQ-UHFFFAOYSA-N	307.379	1.678	50	20	DDGD	
CCN(CC)C[C@@H](C)NC(=O)NNC(=O)c1ccc(OC)cc1	1251293500	ZFCKEXHNWLWDHY-GFCCVEGCSA-N	322.409	1.370	50	20	DDGD	
C[C@H](O)CN1CCN(C(=O)c2cccc(CCl)c2)[C@H](C)C1	1337228968	MIZJQWAVFRVMRP-OLZOCXBDSA-N	310.825	1.953	50	20	DDGD	
O=C(NCc1nc2c(s1)CCCC2)NNc1ccncn1	1341524652	GAOGWRNEGYEJHR-UHFFFAOYSA-N	304.379	1.638	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	1348100022	OSEBSBPBTNMMCN-CYBMUJFWSA-N	321.377	1.286	50	20	DDGD	
CCO[C@H]1CCN(C(=O)NNC(=O)CCCc2ccccc2)C1	1263079164	HWHKYVDPKKGSST-HNNXBMFYSA-N	319.405	1.861	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1c(Cl)ccnc1Br	1263700285	SDBNKJYHEQNDIY-UHFFFAOYSA-N	318.558	1.669	50	20	DDGD	
O=C(NNC(=S)NCCCCC(F)(F)F)c1cccnn1	1353980461	KALLRZRUDKVORR-UHFFFAOYSA-N	321.328	1.318	50	20	DDGD	
Cc1nc(N)nc(C)c1C(=O)NNc1ccc(C(=O)O)c(F)c1	1607960202	IMUDKJPWWKEDRT-UHFFFAOYSA-N	319.296	1.270	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ccccc2C)c(C(=O)O)[nH]1	1600249840	AZYYJNGQXWKDAG-UHFFFAOYSA-N	316.317	1.412	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)CCCCC(=O)O	1604365961	HXXNLCCPZCDIIY-UHFFFAOYSA-N	312.297	1.700	50	20	DDGD	
C[C@H](NNC(=O)c1ccsc1-c1nn[nH]n1)C(F)(F)F	1603671513	FGGBFSVPQRSCLZ-BYPYZUCNSA-N	306.273	1.113	50	20	DDGD	
O=C(O)C12CC(C(=O)NNc3ccc(F)c(F)c3F)(C1)C2	1601728943	RQZRTWFWRFHBME-UHFFFAOYSA-N	300.236	1.802	50	20	DDGD	
O=C(NN=Cc1cc(C(=O)O)no1)c1cccc([N+](=O)[O-])c1	1601553046	RSUMQKYJSPFOTI-UHFFFAOYSA-N	304.218	1.045	50	20	DDGD	
Cn1cc(CCC(=O)NNc2ccc(C(=O)O)c(F)c2)cn1	1608108733	RYGSUORBCMKIBL-UHFFFAOYSA-N	306.297	1.333	50	20	DDGD	
CC1=C(C(=O)NNc2cccc(C(=O)O)c2F)SCCO1	1604607758	LIZAQJXDHYTUEH-UHFFFAOYSA-N	312.322	1.962	50	20	DDGD	
O=C(O)Cc1cn([C@@]2(Cl)C[C@H]2CCBr)nn1	1602149058	GDHXOHRFIUVVED-MUWHJKNJSA-N	308.563	1.602	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)N[C@H]2CO[C@H](C3CC3)C2)cc1	1602127854	CCPXAOQSHHAPER-KGLIPLIRSA-N	319.361	1.507	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1ccccc1F	1549318241	ATKKRDOUCUKZKY-BLLLJJGKSA-N	319.380	1.919	50	20	DDGD	
COC[C@H](C)N1CCN(C(=O)C2CCC(Cl)CC2)CC1	1548648017	HASWTQAYRSRRKV-HSBZDZAISA-N	302.846	1.963	50	20	DDGD	
NC[C@H]1CC[C@@H](NC(=O)NNc2cccc(C(=O)O)c2F)C1	1610645408	XTFFMTYXFWMWBN-DTWKUNHWSA-N	310.329	1.277	50	20	DDGD	
CNC(=O)NN=Cc1ccc(C(=O)O)cc1Br	1610140624	CJODHLBCAVKJGX-UHFFFAOYSA-N	300.112	1.410	50	20	DDGD	
NC(=O)CCCCNS(=O)(=O)c1ccc(CCCl)cc1	227831283	SQUHRFWMFVLGQR-UHFFFAOYSA-N	318.826	1.402	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C=NNC(=O)C1CCOCC1	1552917678	CHDBBAKKLHNJHS-DZGCQCFKSA-N	320.393	1.416	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](O)CCl)CC1	1826586161	CIOIYJSSGYIDJH-KGLIPLIRSA-N	316.829	1.226	50	20	DDGD	
C[C@H](N)C[C@H](C)NC(=O)NNc1cccc2c1OC(F)(F)O2	1576145171	MENPPUYWCUYUEI-YUMQZZPRSA-N	316.308	1.760	50	20	DDGD	
CCCN[C@@H](C)C(=O)NNc1ncccc1Br	1577555135	VAIDZEYFWIMRFF-QMMMGPOBSA-N	301.188	1.675	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cn1)[C@H]1C[C@H]2CC[C@H]1NC2	1580737200	MHWJEOVAZVMYBS-DVVUODLYSA-N	314.311	1.932	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)[C@H]1NCC12CCCC2	1580743067	OUNNCPNTIZEYFQ-GFCCVEGCSA-N	313.361	1.311	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCCO2)C1	1846147746	RJUILHCEKKWLQO-RYUDHWBXSA-N	314.813	1.386	50	20	DDGD	
COCC(=O)NN=Cc1ccc(C(=O)O)c(Br)c1	1599142359	AFKOMPDQBFUSLA-UHFFFAOYSA-N	315.123	1.244	50	20	DDGD	
COCCN(CC(C)C)NC(=O)Nc1ccccc1CC(=O)O	1594000211	HDTZMUGLPZNDBE-UHFFFAOYSA-N	323.393	1.955	50	20	DDGD	
O=C([C@@H]1C[C@@H]1F)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846387004	WJONGGQYTZPBMA-SFYZADRCSA-N	309.168	1.352	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1590385363	PRELKFJNODRBOD-CYBMUJFWSA-N	323.357	1.236	50	20	DDGD	
COc1ccc(C(CC(C)C)=NNC(=O)NCC(=O)O)cc1	1599515184	RXLKKVDEWFRADV-UHFFFAOYSA-N	307.350	1.829	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2cc(F)ccc2F)O[C@H]1C(=O)O	1599875755	FBKRABATKIBEMR-DIMCTHFVSA-N	300.261	1.286	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)c1csc(-c2nn[nH]n2)c1	1593164082	SOBOFYIXNRBRPR-UHFFFAOYSA-N	322.300	1.963	50	20	DDGD	
O=C(O)CCC(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	1594996880	SZZDQUKAKSFMHG-UHFFFAOYSA-N	321.211	1.922	50	20	DDGD	
CC[C@H](C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@H](C)O	1590368432	BTDXSTJZPBLYFY-CBAPKCEASA-N	324.772	1.370	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)c2cccc(C(=O)O)c2)cn1	1776095272	PGBOVLPKLKORPL-UHFFFAOYSA-N	300.318	1.926	50	20	DDGD	
CC(=NNC(=O)c1ccon1)c1cccc(O[C@H](C)C(=O)O)c1	1776106041	OOENANNFLAHMES-SNVBAGLBSA-N	317.301	1.681	50	20	DDGD	
C[C@@H](NC(=O)C(C)(C)C)C(=O)NNc1ccc([N+](=O)[O-])cc1	150873165	PSIGQDZKYRYOJE-SECBINFHSA-N	308.338	1.589	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cn(-c2cccc(C)c2)nn1	161239408	CRABQJVCOSEULM-UHFFFAOYSA-N	316.365	1.320	50	20	DDGD	
CC(=O)NNC(=O)Nc1cccc(OCc2cscn2)c1	162387393	ZDKPHNIPPVYGBO-UHFFFAOYSA-N	306.347	1.895	50	20	DDGD	
CCCOc1cc(F)ccc1NC(=O)NNC(=O)CN(C)C	162845527	FLEJRLSDGLVELJ-UHFFFAOYSA-N	312.345	1.329	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)Cc2cccnc2)CCCC1	158877845	LVICZPYUNFENES-UHFFFAOYSA-N	304.394	1.925	50	20	DDGD	
CC(C)n1nc(C(=O)NNC=C(C#N)C#N)c2ccccc2c1=O	153331639	JLRXWEDPXQQSCC-UHFFFAOYSA-N	322.328	1.143	50	20	DDGD	
CSCCNC(=S)NNC(=O)Cc1ccccc1Cl	154115788	MVSGBEBOJVINNY-UHFFFAOYSA-N	317.867	1.741	50	20	DDGD	
CCCC(=O)N1CSC[C@@H]1C(=O)NNc1ccc(C#N)cc1	155438621	ZXDROTZAYUBDQY-CYBMUJFWSA-N	318.402	1.703	50	20	DDGD	
O=C(NNC(=O)C1CC=CC1)c1cc(-c2ccc(F)cc2)n[nH]1	154284947	QPQGPFLGUDDCDE-UHFFFAOYSA-N	314.320	1.943	50	20	DDGD	
O=S(=O)(NCCN1CC=CCC1)c1ccc(CCl)cc1	392297890	VZOVYTUAWWJIOK-UHFFFAOYSA-N	314.838	1.966	50	20	DDGD	
CC(C)(CNS(=O)(=O)CBr)C1CCOCC1	907457338	LFLXFJPACHNJQH-UHFFFAOYSA-N	314.245	1.711	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cc2n[nH]c3ccccc23)cc1	50630304	VJHHCKQQEPDHPV-UHFFFAOYSA-N	319.324	1.438	50	20	DDGD	
CCNC(=O)CCC(=O)NNC(=O)[C@@H](CC)c1ccccc1	110964089	UIBFBUHDLAYCFB-ZDUSSCGKSA-N	305.378	1.244	50	20	DDGD	
CC(=O)c1ccc(NC(=O)C(=O)NNc2ccc(C#N)cc2)cc1	119627023	XSLBWULBKMAVEY-UHFFFAOYSA-N	322.324	1.843	50	20	DDGD	
C[C@H](Cc1cccs1)NC(=O)NNC(=O)Cc1cccnc1	103509300	XKPYORUXSWKFAI-LLVKDONJSA-N	318.402	1.647	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1CCCc2ccc(C)cc21	179558229	XXHLIVVIKMRXQD-AWEZNQCLSA-N	305.378	1.739	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1ccc2c(c1)OCCCO2	178964021	HXGCTVPEZNFDEI-ACCUITESSA-N	302.330	1.908	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2cccnc2)nc2ccccc12	171510773	MUMDGOSRTWZRSX-UHFFFAOYSA-N	320.352	1.942	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCCCC(N)=O)cc1	57212937	YMGBRRLOOIERGR-RAXLEYEMSA-N	301.346	1.374	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2c(C)noc2C)n1	175384290	BEGKINWLPJHSHT-UHFFFAOYSA-N	306.326	1.225	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCC(F)(F)F)c(F)cc1F	175017558	JRKSYOYTVREQNZ-UHFFFAOYSA-N	311.210	1.780	50	20	DDGD	
O=C(NNC(=O)[C@H]1COCCO1)c1c(Cl)cccc1Cl	170812975	IAYAVPGWYQFCLT-SECBINFHSA-N	319.144	1.170	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CC2(Cl)Cl)cc1	119562731	AUGDNHIJBLUUMN-SNVBAGLBSA-N	317.172	1.715	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCCn1cccn1	114972202	BADJTMKDZZIOBG-UHFFFAOYSA-N	302.338	1.227	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC[C@@H]1CC(=O)c1cnn(C)c1	179443436	FMVRNTOXRPXGDY-GCZGRYASSA-N	316.361	1.428	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	173010105	AVEIUKANOJBIDA-UHFFFAOYSA-N	307.306	1.339	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1	65898106	YMTUQAJSTMYXDS-ZDUSSCGKSA-N	322.384	1.388	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2ccc(C#N)c(Cl)c2)CC1	182353218	WVWRZSDSPAIFLA-UHFFFAOYSA-N	307.737	1.998	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@H]1CC(=O)N(C2CC2)C1	183447049	LTFLPCQUWLRJHF-GMMCIKNFSA-N	313.332	1.612	50	20	DDGD	
COCc1cccc(CC(=O)NNC(=O)c2ccccc2O)c1	188991923	JRWBOGJLHYOPAF-UHFFFAOYSA-N	314.341	1.542	50	20	DDGD	
CC(C)n1cc(NC(=O)C(=O)NNc2cccc(F)c2)cn1	120811543	MTEIHWQHIBMVMT-UHFFFAOYSA-N	305.313	1.685	50	20	DDGD	
CCOCc1cccc(NC(=O)NNC(=O)c2cc(C)n[nH]2)c1	184750981	LARFRILWVHNNRT-UHFFFAOYSA-N	317.349	1.721	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@@H](C)N2CCC(C)CC2)n1	181433217	AAFVQFLJXYXWLT-CYBMUJFWSA-N	321.425	1.837	50	20	DDGD	
Cc1cc(NNC(=O)c2cccc3c2OCCO3)nc(C)n1	128786286	UTIRTGOWLFQKEC-UHFFFAOYSA-N	300.318	1.622	50	20	DDGD	
O=C1CCc2cc(C(=O)NNC(=O)c3ccncc3)ccc2N1	182768747	SPTOFIVKOVHTKQ-UHFFFAOYSA-N	310.313	1.041	50	20	DDGD	
CC1(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)CCCC1	75591501	LLMORKXKGJEJKX-UHFFFAOYSA-N	324.402	1.431	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNc1nnc(C2CC2)s1	184456121	LHQGLGCZRNKUHR-UHFFFAOYSA-N	311.411	1.555	50	20	DDGD	
CN(CC(=O)NNc1ccccc1[N+](=O)[O-])[C@H]1CCSC1	133273461	RVYHXZZFTCWRFV-JTQLQIEISA-N	310.379	1.475	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)COc2ccc(F)cc2)on1	71095422	ZSTZDACGMORNNA-UHFFFAOYSA-N	321.308	1.777	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cncc(Br)c1	41961949	JQRFYVIGPBSVAM-UHFFFAOYSA-N	315.196	1.139	50	20	DDGD	
O=C(NNc1ccncc1Cl)c1cccc(-n2cnnn2)c1	135895813	QYIIDPPQPJJKKW-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
Cc1ccc(-n2cnnn2)cc1NC(=O)NNc1ccccn1	193554570	YZGJZRBDTZSDRR-UHFFFAOYSA-N	310.321	1.514	50	20	DDGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CCC[C@@H]1CO	48866041	VVMBDQYJHDMKJP-GFCCVEGCSA-N	303.811	1.613	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC2CCCCC2)c(O)c1	80388577	YTTKEOMGMJNPGE-UHFFFAOYSA-N	306.362	1.811	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ncn(-c3ccccc3)n2)n1	133058939	PNFZWZGKWFFIIX-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
COc1cccc([C@@H](C)CC(=O)NNC(=O)c2cccn2C)c1	84578816	SDLKCZNMMLVCFA-LBPRGKRZSA-N	315.373	1.989	50	20	DDGD	
O=C(CCNc1ccccc1[N+](=O)[O-])NNC(=O)c1ccc[nH]1	97028080	ZVNGPBAPGOVHRB-UHFFFAOYSA-N	317.305	1.186	50	20	DDGD	
O=C(CCCc1cccs1)NNc1ncnc2[nH]cnc12	97595069	POYJQNQVCKDOBE-UHFFFAOYSA-N	302.363	1.880	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H](C)[C@@H]2CCOC2)cc1	266612311	UHAJPWYEBHSMMU-BXUZGUMPSA-N	305.378	1.618	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)[C@@H]1CSCCS1	268255996	XYSZXCVHDUYEIA-JTQLQIEISA-N	322.415	1.627	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cccc(NC(=O)N(C)C)c1	265853320	XUAFKWVGYKKKOG-UHFFFAOYSA-N	306.366	1.587	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@@]2(C)CCO[C@H]2C2CC2)n1	364158263	IIBFXXYSOZTRKS-GOEBONIOSA-N	320.393	1.922	50	20	DDGD	
O=[N+]([O-])c1ccc2c(c1)N(S(=O)(=O)CBr)CC2	271467338	ZTPNSKJFGYEIPE-UHFFFAOYSA-N	321.152	1.640	50	20	DDGD	
CC(C)[C@@]1(C)C[C@H]1C(=O)NNC(=O)CNC(=O)c1cccs1	274996684	ZTRZVWBXTSLSRO-ZUZCIYMTSA-N	323.418	1.308	50	20	DDGD	
COC(=O)NCc1ccc(NC(=O)NNC(=O)C2CC2)cc1	274169224	WFKNYDAYCNWLTE-UHFFFAOYSA-N	306.322	1.105	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CC[C@H](n2cncn2)C1	365931068	XACLIFBKZASKOA-GUNGLEHYSA-N	309.329	1.364	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2cccc(C)n2)nc1C	272146538	FNXSKRKJDFGQFE-UHFFFAOYSA-N	315.333	1.422	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)COCc2ccccc2)CCO1	271850820	CELZELGWFXVXRL-TZMCWYRMSA-N	306.362	1.166	50	20	DDGD	
Cn1c(=O)oc2cc(NC(=O)NNC(=O)OC(C)(C)C)ccc21	274239352	WZDOVKFQRVXMKM-UHFFFAOYSA-N	322.321	1.693	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccc(Cn2ccnc2)c1	272711722	XVFKDEIXAMFORR-UHFFFAOYSA-N	301.350	1.238	50	20	DDGD	
C[C@@](O)(CC(=O)NNc1ccc2c(O)nccc2c1)C1CC1	285779398	SMBYVVDKZGWENP-MRXNPFEDSA-N	301.346	1.935	50	20	DDGD	
O=C(NC[C@H]1CCSC1)NNc1ccc(-n2ccnc2)nn1	288626819	JXFBSWXHPJKSEQ-SNVBAGLBSA-N	319.394	1.042	50	20	DDGD	
O=C(CCNC(=O)OCC(F)(F)F)NCC(Cl)Cl	288358552	XKUMDQSWIFZGAK-UHFFFAOYSA-N	311.087	1.585	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)C12CCCN1CCC2	287203673	NEHBWWDXIVQNHP-UHFFFAOYSA-N	301.394	1.816	50	20	DDGD	
O=C(NCC(Cl)Cl)[C@H]1CC(=O)N(Cc2ccco2)C1	289194118	WUGPIKSPJNCJPJ-QMMMGPOBSA-N	305.161	1.548	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNc1ccc2c(O)nccc2c1	285766377	RLISVSNKMYRYHP-VIFPVBQESA-N	303.318	1.583	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)n1	282117404	GDCRWMLLSXTFKB-NTZNESFSSA-N	307.398	1.579	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H](C)c1c(F)cncc1F	287234943	HMFBFQHWUMWGQC-MRVPVSSYSA-N	300.309	1.797	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNC(=O)CCCc1ccccc1	289349606	GMPZQJGXPZAKLF-ZDUSSCGKSA-N	320.389	1.746	50	20	DDGD	
CC1=C(C(=O)NNc2ccccc2F)[C@@H](C)n2ncnc2N1C	282934821	YPOAARFPUYGSPG-SNVBAGLBSA-N	316.340	1.845	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCCn1cnc2ccccc21	298668189	SQVJDPMOVIAZDX-UHFFFAOYSA-N	317.393	1.803	50	20	DDGD	
NC(=O)c1ccc(NC(=O)NNc2cccc(F)n2)cc1F	806256939	VYJLOOJDOJARLH-UHFFFAOYSA-N	307.260	1.607	50	20	DDGD	
COc1ccc(OC)c([C@H]2C[C@H]2C(=O)NNc2nnc[nH]2)c1	293935167	NWCPJITYKWSYQL-MWLCHTKSSA-N	303.322	1.069	50	20	DDGD	
CC[C@H]1CC[C@H](C)N1CC(=O)NNC(=O)Cc1ccccc1C	299541557	FMSOVFRMDHADTQ-HOCLYGCPSA-N	317.433	1.948	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1noc2c1CCCCC2	295563950	MYVFKNJFQCREFH-LBPRGKRZSA-N	307.350	1.274	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)N[C@@H](C)CN(C)C	298567721	KFALUQVLIYSMOB-VIFPVBQESA-N	314.821	1.830	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNc1cc(C(F)(F)F)ccn1	295286759	IEDJSCTVZAXRTP-ZETCQYMHSA-N	305.256	1.743	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)Cc2nnc(C)o2)cc1C	298419917	XQLMECNNUGDGQZ-UHFFFAOYSA-N	318.333	1.549	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)N[C@H]1CC[C@@H](CO)C1	296436052	TZFQWFFDMQJSLZ-CABCVRRESA-N	319.405	1.501	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ccc(F)cc2F)sn1	806997615	RWORSALMXIKTOM-UHFFFAOYSA-N	312.301	1.812	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(C)cc(C)n2)nc1	801178659	MKTPECCWCDTYCM-UHFFFAOYSA-N	300.318	1.637	50	20	DDGD	
CO[C@@](C)(C(=O)NNc1nnc(-c2ccccn2)s1)C1CC1	293202473	IPWGQDZGCREQCR-CQSZACIVSA-N	319.390	1.858	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2cncc(C)c2)cc1	801110273	VQLAKAFADWNIQM-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
COC1(CCNC(=O)NNc2ncc(F)cc2F)CCC1	297178205	BMXZWSNIYUDTKP-UHFFFAOYSA-N	300.309	1.945	50	20	DDGD	
CCOC(=O)c1nn(C)cc1/C=C(\C#N)C(=O)[C@@H]1CCCOC1	291934400	OVCSIQCHYFXOEX-LAPSENCUSA-N	317.345	1.499	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CC2CC2)c([N+](=O)[O-])cc1F	295516143	FVMLBHBHQOHWCH-UHFFFAOYSA-N	311.269	1.304	50	20	DDGD	
O=C(CCc1nc(-c2ccco2)no1)NNc1cccc(F)n1	804769120	GXBQFOQWNRQFBV-UHFFFAOYSA-N	317.280	1.940	50	20	DDGD	
CC1(C)CC(=NNC(=O)Cc2cc[nH]n2)c2cc(O)ccc2O1	814956089	JYDHSSYSQZILRU-UHFFFAOYSA-N	314.345	1.739	50	20	DDGD	
CN(NC(=O)CCNC(=O)N1CCc2ccccc2C1)C1CC1	819647427	ORXFUYNKKSVJJG-UHFFFAOYSA-N	316.405	1.270	50	20	DDGD	
COc1ccc(NCC(=O)NN=Cc2cnn(C)c2Cl)cc1	814710013	KOWSENQMQOXTNQ-UHFFFAOYSA-N	321.768	1.644	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccc(Br)cc1O	816769827	YEDFJVBJJXASBC-UHFFFAOYSA-N	312.127	1.040	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@]2(C)CC2(F)F)cc1C	817514062	XILCYKPGRPYXMO-CQSZACIVSA-N	312.316	1.875	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)c1nc2cnccc2s1	816814350	ONUQKCPLMBZERX-UHFFFAOYSA-N	316.317	1.905	50	20	DDGD	
COC(=O)c1c(F)ccc(NC(=O)NNc2ncccn2)c1F	810337622	GKDRXKAUZJZVQP-UHFFFAOYSA-N	323.259	1.690	50	20	DDGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C)C(=O)O	818269706	LENBYRNPWCHJBZ-HQIZRNBFSA-N	300.318	1.092	50	20	DDGD	
C=C(CBr)CN[C@@H](C1CC1)[C@]1(CO)CCCO1	815289770	JWKWHUDLGLVEGY-QWHCGFSZSA-N	304.228	1.847	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1nc2ccccc2n1C	816579220	JFRNBWXWXKQUQC-LLVKDONJSA-N	306.366	1.458	50	20	DDGD	
COCc1nc(CNC(=O)NNC(=O)C2CCCC2)cs1	811910210	XMJXKXQXMBIGLH-UHFFFAOYSA-N	312.395	1.310	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cccc(C)c1C	726075823	HAHPTBXIQWBFPF-UHFFFAOYSA-N	309.435	1.791	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@H]1CCCC(C)(C)C1	826934825	PIXNIXKLSVYFFM-RWMBFGLXSA-N	311.426	1.958	50	20	DDGD	
CC[C@H](C)n1ncc2c(C(=O)NN(C)[C@@H](C)CO)cc(C)nc21	823964517	AXTKFDLBFSJFBX-RYUDHWBXSA-N	319.409	1.668	50	20	DDGD	
Cc1cccc2c1CCC2=NNC(=O)CNC(=O)c1ccco1	729145219	KQONOYHDIZFDSH-UHFFFAOYSA-N	311.341	1.785	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1	823859951	FHAZRGQZGXWNDL-UHFFFAOYSA-N	321.421	1.422	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC[C@H](Nc2ccccc2)C1	828384071	AFKVWNCKGNPTDV-HNNXBMFYSA-N	318.421	1.366	50	20	DDGD	
O=C(/C=C/c1cccc(O)c1)NN=c1nc(-c2cccnc2)[nH]o1	492699941	DKKBXRITEONEGZ-VOTSOKGWSA-N	323.312	1.416	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC(C)C)N(C)C(=O)OC(C)(C)C	824404404	PTBUOXOXMKJRET-JTQLQIEISA-N	316.402	1.371	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H]1CSC(c2ccccc2O)=N1	822244011	IGNXSIYDAZVUPX-JTQLQIEISA-N	321.402	1.448	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNC(=O)c2cccc(C)n2)cc1	491985318	UXJGZBGIIBVITH-FLIBITNWSA-N	311.341	1.873	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=C[C@H]1CCCSC1	495610260	BYNBINXFGMPAHJ-SNVBAGLBSA-N	301.412	1.756	50	20	DDGD	
CC1CCN(CC(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1	824954956	MUPMWRAAZHIUMK-UHFFFAOYSA-N	315.381	1.042	50	20	DDGD	
CCC(CC)[C@@H](C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C	494453255	MDMOAPPJWFOCKI-SNVBAGLBSA-N	315.414	1.731	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1C[C@@H](C)C[C@@H]1c1ccccc1	829764306	ZYPQPGRKAGVQJG-DZGCQCFKSA-N	303.406	1.873	50	20	DDGD	
CN(C(=O)/C(C#N)=C/c1cnn(C)c1)[C@@H](CCO)c1ccccc1	491159034	HELZYHKLLOZYOZ-KGZWWPETSA-N	324.384	1.909	50	20	DDGD	
Cc1nscc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	826340321	SGQFOHDGKUUQAS-UHFFFAOYSA-N	301.335	1.389	50	20	DDGD	
COc1ccc(C2(NCC(=O)NNC(=O)C(C)C)CC2)cc1	828688098	RLHXXTWSKIDZEW-UHFFFAOYSA-N	305.378	1.077	50	20	DDGD	
CSc1ccc(Cl)c(NC(=O)NNC(=O)CN(C)C)c1	824478067	HZSHUNTYPDGGPI-UHFFFAOYSA-N	316.814	1.776	50	20	DDGD	
CO[C@H](C)CCNC(=O)NNC(=O)Cc1c[nH]c2ccccc12	726713568	HRFZALPDMCWUSR-LLVKDONJSA-N	318.377	1.466	50	20	DDGD	
C[C@@H](NCc1ccc(B(O)O)cc1F)c1ccc2c(c1)OCO2	585019392	AFAQWDDJSFAZAP-SNVBAGLBSA-N	317.125	1.085	50	20	DDGD	
C[C@@]1(C(=O)N2CCN(C3CCC3)CC2)C[C@H]1Br	906685693	NBJNLIXRUKFBKH-DGCLKSJQSA-N	301.228	1.857	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H]1CCN1C(=O)OC(C)(C)C	495954319	QRAJSKWOYVJDGH-LLVKDONJSA-N	306.366	1.843	50	20	DDGD	
CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)NNC(=O)OC	495367304	OBIBQGRLPNURGX-CYBMUJFWSA-N	303.359	1.457	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cc(Cl)c[nH]1	826448667	FVKIEAXYTISZNL-UHFFFAOYSA-N	303.713	1.605	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=O)c2c(C)nc3ccccn23)CC1	822234464	VCUUOGXQSWMONK-UHFFFAOYSA-N	314.345	1.163	50	20	DDGD	
N#C[C@H]1CC[C@@H](NC(=O)NNC(=O)Cc2ccc(Cl)cc2)C1	823885335	BNDMATCYCLPKHO-WCQYABFASA-N	320.780	1.905	50	20	DDGD	
C[C@@](Cc1ccccc1)(NC(=O)c1ccc(B(O)O)cc1)C1CC1	585000503	QGDXXDUFFRYNQM-IBGZPJMESA-N	323.201	1.508	50	20	DDGD	
Cc1ccc(CC(=O)NNc2ccc(-c3nn[nH]n3)cc2)cn1	826286844	SLWBNWWFMKHLNO-UHFFFAOYSA-N	309.333	1.256	50	20	DDGD	
C[C@H](CNC(=O)/C(C#N)=C/c1ccc(O)cc1)Cn1cccn1	491163116	VMKIJFZFXSDYRI-GULXKOIASA-N	310.357	1.948	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCC[C@@H](C)OC)c1ccccc1	732246521	UCELOOZDTAISSH-OCCSQVGLSA-N	307.394	1.936	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1	491081528	GRNCIBCBBQZPIK-GQEFBNDOSA-N	308.337	1.711	50	20	DDGD	
CCC[C@]1(CO)CCCN1C(=O)/C(C#N)=C\c1cnn(C)c1	491086740	UZHWSFQCCXBLBM-WPMUKRGUSA-N	302.378	1.481	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cnc(C)n2C)cc1	908274440	QXIPMOMGOGJZOR-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
COC(=O)c1ccc(CNC(=O)[C@]2(C)C[C@@H]2Br)o1	906701319	WVJJKWKELYCJNW-JOYOIKCWSA-N	316.151	1.856	50	20	DDGD	
CCCN(CC(=O)NNC(=O)c1ccc(C#N)cc1)CC(C)C	839473259	MDMKJHJKVXBOLI-UHFFFAOYSA-N	316.405	1.687	50	20	DDGD	
C[C@@]1(CNCc2ccccc2B(O)O)OCCc2sccc21	585040198	BTUKOKJPSUHQDN-INIZCTEOSA-N	317.219	1.006	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccc(F)cc1)C1CC(C)(C)C1	839619787	XGBSXHYQAIUZIW-UHFFFAOYSA-N	307.369	1.707	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)CCc1ccccc1O	834956146	UIYGTJOEJXHLPQ-UHFFFAOYSA-N	301.350	1.395	50	20	DDGD	
CC(C)[C@H]1C[C@H](CNCc2ccc(B(O)O)cc2F)CCO1	585044149	ZNFACKNRWHIWEI-MLGOLLRUSA-N	309.190	1.046	50	20	DDGD	
O=C(NNc1cccc(Br)n1)c1n[nH]c2c1CCC2	837210485	PJJJAIGYBVEPKG-UHFFFAOYSA-N	322.166	1.813	50	20	DDGD	
C[C@](O)(CNC(=O)[C@@]1(C)C[C@H]1Br)C(F)(F)F	907157177	DBMLKNISTZFQDI-DTLFHODZSA-N	304.106	1.589	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H](O)c1cccc(Br)c1	908113137	NHKYPRJNHNTAAH-VIFPVBQESA-N	317.139	1.212	50	20	DDGD	
COc1ccc(OC)c(NC(=S)NNC(=O)C2CCC2)c1	731945763	ZBZPPODEJWPZQT-UHFFFAOYSA-N	309.391	1.822	50	20	DDGD	
CN(CCCC(=O)NN=c1cc[nH]c2ccccc12)C(=O)O	737426388	DPNGVXVLBVSQRQ-UHFFFAOYSA-N	302.334	1.490	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cccc1N(C)C	831616867	VGOWILUKZALXAH-NEPJUHHUSA-N	320.393	1.639	50	20	DDGD	
COc1ccc(NNC(=O)C[C@H]2CCC(=O)N2C)c([N+](=O)[O-])c1	830499545	YGJFZAZLIWJLMW-SECBINFHSA-N	322.321	1.057	50	20	DDGD	
CC(C)c1ncsc1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	831849534	ZHYNIFGRHROIHL-IUCAKERBSA-N	312.395	1.844	50	20	DDGD	
O=C(CN1CSCCSC1)NNC(=O)C1CCCC1	900175252	WIQSASPQOYIQEL-UHFFFAOYSA-N	303.453	1.021	50	20	DDGD	
C[C@H](N)C[C@H](C)NC(=O)NNC(=O)c1ccc(Cl)cc1F	831212135	LYHJQVQFTYREGX-YUMQZZPRSA-N	316.764	1.549	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@@H](c2ccco2)C1	732206032	QICKDKOVXIIBNM-QWHCGFSZSA-N	307.394	1.651	50	20	DDGD	
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCB(O)O)c1	585060784	YLPBVPQOAUYJIN-UHFFFAOYSA-N	312.562	1.066	50	20	DDGD	
Cc1cc(C(=O)COC(=O)/C(C#N)=C\c2cnn(C)c2)c(C)[nH]1	837969732	RHJGKGYJKCEDCU-ACAGNQJTSA-N	312.329	1.698	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(O)c(O)c2)cc1	917031332	GPICDYJENLUXRH-UHFFFAOYSA-N	313.313	1.495	50	20	DDGD	
C=C(C)CCNC(=O)NNC(=O)c1c(C)nc2ccccn12	836190998	FDHJLBWGRUZOCU-UHFFFAOYSA-N	301.350	1.553	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1	830190029	HNELEYPTDPKISH-JHJVBQTASA-N	314.426	1.995	50	20	DDGD	
CC(C)CN1C[C@H](C(=O)NNc2cccc(C#N)c2)CC1=O	748046278	KTYGUYYDRMBFMU-CYBMUJFWSA-N	300.362	1.506	50	20	DDGD	
C[C@]1(C(=O)NCC[C@@]2(O)CCCOC2)C[C@@H]1Br	911914344	KFTWSBRZTCSQOM-DLOVCJGASA-N	306.200	1.208	50	20	DDGD	
CCN(CCNC(=O)NNc1nc(C)cc(OC)n1)C(C)C	746761792	NFLAELJVOAGWJT-UHFFFAOYSA-N	310.402	1.150	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C1CCCC1)N1CCc2ccccc21	746871657	LAWKRCHQQMRNMP-LBPRGKRZSA-N	301.390	1.775	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)c2cn(C)nc2C)cc1OC	917535209	ZFJVZLLCTSSXRQ-UHFFFAOYSA-N	316.361	1.900	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC12CCCC2)[C@@H]1COc2ccccc2O1	747296001	VERSMOYNAHCZDG-FZMZJTMJSA-N	316.357	1.554	50	20	DDGD	
Cc1cc(C)cc(OCCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	843647011	XOFLSWRNRMJIRM-ZFWWWQNUSA-N	320.389	1.645	50	20	DDGD	
CCn1ncnc1C=NNC(=O)CCCNC(=O)OC(C)(C)C	848407529	QTANKGWKFRDTJT-UHFFFAOYSA-N	324.385	1.053	50	20	DDGD	
COC1([C@H](C)NC(=O)NNC(=O)CCc2ccccc2)CCC1	840454771	UUBXPGKYMURPIH-ZDUSSCGKSA-N	319.405	1.907	50	20	DDGD	
O=C(Cc1ccn(-c2ccc(F)cc2)n1)NNC(=O)C1CC1	742033095	JBRJUHMMCSOCBY-UHFFFAOYSA-N	302.309	1.111	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1cccc(O[C@H]2CC(=O)N2)c1	840730128	PKFNYTJOGAMFPX-HBWSCVEGSA-N	301.302	1.294	50	20	DDGD	
O=C(Cc1cccnc1)NN=C(CO)c1ccc(F)cc1F	749607784	BGDOITPTXQLGTK-UHFFFAOYSA-N	305.284	1.415	50	20	DDGD	
C[C@]1(C(=O)N2CCC3(CCNC3=O)CC2)C[C@@H]1Br	913791158	QCBQFLRVDVUREW-CABZTGNLSA-N	315.211	1.289	50	20	DDGD	
CN(C)c1ncc(C(=O)NNC(=O)OC(C)(C)C)cc1Cl	847283839	ODKYCIMSHPFGLB-UHFFFAOYSA-N	314.773	1.971	50	20	DDGD	
C[C@H]1CC(=NNC(=O)NCCc2cccs2)c2ncnn21	841622013	PXBKXQMANNROHU-VIFPVBQESA-N	304.379	1.550	50	20	DDGD	
COCCN(C)NC(=O)CCc1cc2ccccc2nc1O	848378598	XAFWYAFLFJYJEQ-UHFFFAOYSA-N	303.362	1.482	50	20	DDGD	
O=C(COc1ccccc1F)NN=Cc1ccc(O)c(O)c1O	916300588	MUWSXYUQUHCXAW-UHFFFAOYSA-N	320.276	1.472	50	20	DDGD	
Cc1cc(C)cc(N2CC[C@H](C(=O)NN(C)C[C@@H](C)O)C2=O)c1	910167474	GMOUBHAOXSDDPZ-UKRRQHHQSA-N	319.405	1.000	50	20	DDGD	
Cn1cccc1C=NNC(=O)c1nn(-c2ccccc2)cc1O	916353713	WAJQMMDCGOAKNK-UHFFFAOYSA-N	309.329	1.680	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNc2nccn(C)c2=O)cc1	747938350	SGDDGQOIVCWPEX-UHFFFAOYSA-N	302.334	1.324	50	20	DDGD	
CCNC(=O)NNC(=O)[C@]1(C(=O)OC(C)(C)C)CC=CCC1	845300809	YPPUJWWLFZVGOS-HNNXBMFYSA-N	311.382	1.405	50	20	DDGD	
COC[C@@H](C)CC(=O)NNc1ncc(Br)cn1	848321410	RPAFQKZALQWLAD-ZETCQYMHSA-N	303.160	1.355	50	20	DDGD	
O=C(CN1CCCC1=O)NNC(=O)c1ccc(C(F)F)cc1	913730722	GNWHXERNYCOPAQ-UHFFFAOYSA-N	311.288	1.008	50	20	DDGD	
COc1cccc([C@@H]2C[C@H]2CNC(=O)NNc2cccnn2)c1	840468970	JTSSBLYQRIAJLP-JSGCOSHPSA-N	313.361	1.915	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)N[C@@H]2CCNC2)cc1	841938723	HIBIDCBUQABUQU-CYBMUJFWSA-N	304.394	1.290	50	20	DDGD	
C[C@@H](C(=O)N(C)CC(=O)N(C)CC(Cl)Cl)n1cccn1	848081367	VCRCSIBMPVTUQI-VIFPVBQESA-N	321.208	1.165	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N[C@H]2CCCC[C@H]2CN)c1	841952018	ZDVJMJMDWLFAJQ-KBPBESRZSA-N	315.377	1.020	50	20	DDGD	
COC(=O)[C@]1(C)CCCN(C(=O)NCCSSC)C1	840368859	QKCGVKBTSKFAHD-GFCCVEGCSA-N	306.453	1.982	50	20	DDGD	
O=C(NCCCOC[C@@H]1CCOC1)NNC(=O)c1ccccc1	740904114	RIZYANDEGXDXBX-ZDUSSCGKSA-N	321.377	1.074	50	20	DDGD	
O=C(Cc1ccn(-c2ccc(F)cc2)n1)NNC(=O)C1CCC1	742072195	LRICCCYQEGDISL-UHFFFAOYSA-N	316.336	1.501	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)CC1=O	842251928	UKHCPDXCQAYVBY-VIFPVBQESA-N	324.312	1.436	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2cc([N+](=O)[O-])cn2C)c1	748909178	VRPICLCFZWEEHB-UHFFFAOYSA-N	308.269	1.838	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@H]1CCc2cc(F)ccc21	847115289	GUUMTBXIPLOTFB-JTQLQIEISA-N	319.258	1.748	50	20	DDGD	
O=C(O)[C@]1(C(=O)NNc2ccccc2[N+](=O)[O-])CC=CCC1	846708232	YRTMOXLIIUVBDG-CQSZACIVSA-N	305.290	1.849	50	20	DDGD	
CC(C)Oc1cccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n1	843662578	RRZHFOJFJVQGTP-MNOVXSKESA-N	307.350	1.055	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)C(F)(F)F)cc1	742474156	DWHSWHYZMZUQRS-SECBINFHSA-N	304.268	1.720	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)Cc1ccncc1)C1CCOCC1	747583463	KQLPWNQHUZZNAY-CQSZACIVSA-N	320.393	1.160	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1COc2ccc(F)cc21	740762637	AAHWVAIZYVDSKB-UHFFFAOYSA-N	307.325	1.343	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCCC1=NNC(=O)NCC(F)(F)F	741462123	XTTYYQHMCZKMMX-QMMMGPOBSA-N	315.317	1.191	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)[C@@H]1CCSC1	848321656	ZXWOFYUMZSNCRC-ZCFIWIBFSA-N	303.185	1.435	50	20	DDGD	
Cc1cc(C(F)(F)C(=O)NNC(=O)C2CC2)cnc1Cl	929231701	KIWLPSYWRKUBOY-UHFFFAOYSA-N	303.696	1.693	50	20	DDGD	
CCOc1ccc(C=NNC(=O)CNC(=O)c2ccco2)cc1	750938384	CCTJDQMEOYQPDW-UHFFFAOYSA-N	315.329	1.558	50	20	DDGD	
C[C@H](NC(=O)NNc1ncc(Cl)cn1)c1nnc2n1CCC2	856859129	KFNTUMDSOZVJEH-ZETCQYMHSA-N	322.760	1.055	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=S)N[C@H](C)C2CC2)s1	751619153	LDZKQRZPTUKROJ-SSDOTTSWSA-N	311.432	1.858	50	20	DDGD	
COC(=O)[C@@H]1C[C@H]2CC(=NNC(=O)OCC(F)(F)F)[C@H]1C2	853428346	CSJNDWZWVPFFDB-BIIVOSGPSA-N	308.256	1.850	50	20	DDGD	
CN(C(=O)NC[C@]1(C)C[C@H]1Br)C1CCOCC1	856751558	BGMRIYKEHDADGK-PWSUYJOCSA-N	305.216	1.980	50	20	DDGD	
O=C(NN=C1CCc2cc(F)ccc21)C(=O)Nc1ccccn1	758388434	BDCGDVDZMRBXEL-UHFFFAOYSA-N	312.304	1.626	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(N2CCCCC2)o1	920830478	XUFWXLYMTGMHRY-UHFFFAOYSA-N	308.382	1.940	50	20	DDGD	
COc1ccccc1C(=O)NNC(=S)NC[C@H]1CCCCO1	758236485	WPAMNXFQBOIRSV-LLVKDONJSA-N	323.418	1.373	50	20	DDGD	
CC(C)Nc1ccc(C(=O)NNC(=O)c2cccn2C)cn1	752789299	NOHGKNLSFBADEV-UHFFFAOYSA-N	301.350	1.315	50	20	DDGD	
CC[C@@H]1COCCN1C(=O)NC[C@@]1(C)C[C@H]1Br	856956945	XGTJCSMZXMZLOO-CKYFFXLPSA-N	305.216	1.980	50	20	DDGD	
C[C@@H](CN1CCCCC1)NC(=O)NNc1ncc(Cl)cn1	856839139	YNWLDCKAYRNIBB-JTQLQIEISA-N	312.805	1.631	50	20	DDGD	
CC1CCN(C(=O)C(=O)NC[C@@]2(C)C[C@@H]2Br)CC1	857091358	HNRQOTOBOGERSA-GXFFZTMASA-N	317.227	1.535	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=S)N[C@H](C)C2CC2)cs1	855097076	IWFIEUJXXKQFLM-SSDOTTSWSA-N	311.432	1.858	50	20	DDGD	
CN(CCNC(=O)NC[C@]1(C)C[C@H]1Br)C1CC1	856838504	COGITJGIZOBLKU-PWSUYJOCSA-N	304.232	1.553	50	20	DDGD	
Cn1cc(CCNC(=O)NC[C@]2(C)C[C@@H]2Br)cn1	856825496	HQXSNPJVANDKFM-JQWIXIFHSA-N	315.215	1.435	50	20	DDGD	
Cc1nnccc1C(=O)NNC(=O)NCCc1cccs1	753286772	BKARTQPYYKYCGC-UHFFFAOYSA-N	305.363	1.033	50	20	DDGD	
CN1CCc2cc(C(=O)NNC(=S)NCC3CCC3)ccc21	855089617	YVPWKLHOAYCCGA-UHFFFAOYSA-N	318.446	1.588	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H](C)Oc2ccccn2)n1	857541247	NRBRLCYGTDTINH-MRVPVSSYSA-N	307.741	1.744	50	20	DDGD	
O=C(CS(=O)(=O)C1CCCC1)NNc1ccnc(Cl)c1	855469300	ZQJOKNGWLMOCMP-UHFFFAOYSA-N	317.798	1.536	50	20	DDGD	
C[C@]1(CNC(=O)CSc2nncs2)C[C@@H]1Br	857397332	FTKGGZVSFAJOEZ-IMTBSYHQSA-N	322.253	1.920	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H](C)Oc1cc(C)ccc1Cl	854925350	DZADJEHMORNTGJ-SECBINFHSA-N	315.826	1.883	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(N2CCN(C)CC2)cc1C	755447217	KEPODYZFCCFEBB-UHFFFAOYSA-N	319.409	1.310	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)c1ccc(Cl)cc1O	755640268	OSZMPOAQQKOYEF-MRVPVSSYSA-N	300.742	1.479	50	20	DDGD	
CCOCCNC(=S)NNC(=O)c1cccc2cccnc12	751007484	PWOABLKXVJBOKI-UHFFFAOYSA-N	318.402	1.380	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)Cc1ccc(Cl)cc1)C1CC1	858150956	OCTGYKBUIZRHRY-CQSZACIVSA-N	310.781	1.845	50	20	DDGD	
CSSCCNC(=O)NC1CCN([C@@H]2CCOC2)CC1	852313868	AEDGTKPNQAMHLJ-GFCCVEGCSA-N	319.496	1.550	50	20	DDGD	
Cc1c(C(=O)O)oc2c1C(=NNC(=O)c1cc[nH]n1)CCC2	853393092	TZPIOKPJXBZBLA-UHFFFAOYSA-N	302.290	1.480	50	20	DDGD	
Cc1nc(C)c(CCC(=O)NNc2ncc(Cl)cn2)c(O)n1	857356053	TZAWKIGGXQNDDU-UHFFFAOYSA-N	322.756	1.318	50	20	DDGD	
CC1CCN(C[C@@H](C)C(=O)NN=C2CN(C3CC3)C[C@@H]2C)CC1	755886099	KBOWVHNRLDVMBH-LSDHHAIUSA-N	320.481	1.941	50	20	DDGD	
CC[C@H](C)CCNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	852492530	SPEITPYLXSRKBP-FZMZJTMJSA-N	321.377	1.593	50	20	DDGD	
Cc1oc2ncnc(O)c2c1C(=O)NN=c1cc[nH]cc1Cl	757413171	FDKDAKQCVIBOEO-UHFFFAOYSA-N	319.708	1.464	50	20	DDGD	
COCCCNC(=O)NN=Cc1cc(OC)cc2c1O[C@@H](C)C2	755668209	KDVDRNCBKPPOEC-NSHDSACASA-N	321.377	1.688	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)[C@H]2CCC(=O)N2)c(C)c1OC	863149902	IKSVTJRVNYHBAW-GFCCVEGCSA-N	319.361	1.131	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=C2CCN3CCC[C@@H]23)n1	765554331	MRSQMLUMOJUFCB-ZDUSSCGKSA-N	319.434	1.526	50	20	DDGD	
CN(CCN1CCCC1=O)S(=O)(=O)CC(C)(C)CCl	866781761	RLWOIHASQIEKBY-UHFFFAOYSA-N	310.847	1.135	50	20	DDGD	
CC(=NN(C)C(N)=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C	767909399	NBVKTOVGIUABEN-UHFFFAOYSA-N	309.282	1.854	50	20	DDGD	
CC(C)COc1cccc(C(=O)NNC(=O)c2cn[nH]c2)c1	862474393	RMSCIHMQYJQZBF-UHFFFAOYSA-N	302.334	1.519	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCOC[C@H]2O)cc1	863364354	LGFCKEDWMSLTOI-LXUUZPSESA-N	316.357	1.258	50	20	DDGD	
Cc1sc(Cl)nc1C(=O)NNC(=O)c1ccccc1O	762843597	QKXIVXMFIQCLER-UHFFFAOYSA-N	311.750	1.885	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1cccc2c1CCOC2	930732770	VLGZHMLRRHIJJS-UHFFFAOYSA-N	315.329	1.497	50	20	DDGD	
O=C(CC(C1CCC1)C1CCC1)NNC(=O)c1ncccn1	862006270	UYRCDZIDDCDIFN-UHFFFAOYSA-N	302.378	1.844	50	20	DDGD	
CCSc1cc(C(=O)NNc2nccnc2OC)ccn1	764459962	HCQAMWMARRFUQI-UHFFFAOYSA-N	305.363	1.749	50	20	DDGD	
COc1ccccc1[C@@H](C)N(CC(=O)NNC(=O)C1CC1)OC	932545530	NLQUIULWKPFQED-LLVKDONJSA-N	321.377	1.177	50	20	DDGD	
Cc1cc(C(=O)NN[C@H](C)C(F)(F)F)c(N)c([N+](=O)[O-])c1	862311813	UHSYNUIUETWMKM-ZCFIWIBFSA-N	306.244	1.671	50	20	DDGD	
C[C@@H]1CCC[C@H](C=NNC(=O)CNC(=O)c2cccnc2)C1	768366387	FRHWOCYKLDWDGG-OLZOCXBDSA-N	302.378	1.740	50	20	DDGD	
CC(C)[C@H](NC=O)C(=O)NNc1ccc(C(F)(F)F)cc1	860319235	IOWIEDTYELHXHK-NSHDSACASA-N	303.284	1.919	50	20	DDGD	
CC(=O)N[C@@H](CC(=O)NN=c1cc[nH]c(C)c1)c1cccs1	862509492	OEKVLDNUZQRDPF-ZDUSSCGKSA-N	318.402	1.584	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc2c(c1)N(C)CCO2)C(F)(F)F	862317874	MNVANJXGGWQDNJ-MRVPVSSYSA-N	303.284	1.700	50	20	DDGD	
C[C@@H](NNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(F)(F)F	862307891	SCZSQGGQQQPOPL-NXEZZACHSA-N	315.295	1.611	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccc(C)c2ccccc12	869904717	AIYOYMKUAHOEJF-UHFFFAOYSA-N	316.357	1.572	50	20	DDGD	
CNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](Br)C(C)(C)C	766747009	TZVHDWWSDVQRNU-RNFRBKRXSA-N	323.187	1.183	50	20	DDGD	
OB(O)c1ccccc1CNc1cc2c(cc1Cl)OCCO2	864030526	MKAGNLGCWSLMGW-UHFFFAOYSA-N	319.553	1.403	50	20	DDGD	
O=C(N1C[C@@H]2CC[C@H](C1)N2)[C@@]12CC[C@@H](C[C@@H]1Br)C2	877171556	ASBJIFHEENMMKB-BYNIDDHOSA-N	313.239	1.903	50	20	DDGD	
Cc1ccc(CCC(=O)NCC(=O)NCCCSC#N)cc1	773584885	JJMVHYKOOCFWQB-UHFFFAOYSA-N	319.430	1.764	50	20	DDGD	
Nc1cnnc(NNC(=O)Cc2ccc3c(c2)CCO3)c1Cl	1116297591	AGCXSNYQBDIZJT-UHFFFAOYSA-N	319.752	1.333	50	20	DDGD	
N#Cc1cc(C(=O)NNc2nncc(N)c2Cl)ccc1Cl	1116593231	MGKMAZDQTUHDNQ-UHFFFAOYSA-N	323.143	1.994	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H](C)n2ccnc2)cc1	1116937123	VXIXFUWZEKNVPN-JTQLQIEISA-N	303.322	1.306	50	20	DDGD	
CCOC(=O)c1sc(NC(=O)NN(C)C(=O)OC)cc1C	878518023	YVCZUJFXMUNQII-UHFFFAOYSA-N	315.351	1.968	50	20	DDGD	
O=C(CN1C[C@H]2CC=CC[C@H]2C1)NNC(=O)c1cccs1	879529814	VRULSIXTWJPKFV-TXEJJXNPSA-N	305.403	1.407	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)Cc2ccccc21	873051836	IBVLSNXSIBEIDA-LALPHHSUSA-N	317.389	1.772	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](C)CN1C[C@@H](C)C[C@@H](C)C1	875146152	RSNVOVZXYYHHNM-TUAOUCFPSA-N	300.403	1.265	50	20	DDGD	
NC(=O)CC1(CNC(=O)NNc2cccc(F)c2Cl)CC1	875676152	JFQRXQLBNAYRFE-UHFFFAOYSA-N	314.748	1.761	50	20	DDGD	
CSSCCNC(=O)N1CCCC[C@@H]1CNC(C)=O	875569956	UOHZTHIAPZSKKT-LLVKDONJSA-N	305.469	1.698	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2nc3ccccc3s2)CCO1	873298393	ORKKFHXRXWVIPT-VIFPVBQESA-N	320.374	1.371	50	20	DDGD	
COCCn1cc(C(=O)NNc2cc(Cl)ccc2F)nn1	871271006	XGFUTKXTBZEFLU-UHFFFAOYSA-N	313.720	1.474	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCc2c(Cl)cccc21	775646681	MZCKCTOJOKZARJ-LLVKDONJSA-N	323.780	1.042	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CCCc1ccsc1	772301981	ZDKYFLSLHKJFMZ-JTQLQIEISA-N	312.391	1.560	50	20	DDGD	
COc1cncc(NC(=O)NNCC(F)(F)C(F)(F)F)c1	880543529	PEGJVKIRIVRTEJ-UHFFFAOYSA-N	314.214	1.914	50	20	DDGD	
COC(=O)[C@@H](C)n1cccc1C=NNC(=O)c1ccc(O)cc1	774574355	FLNRCGJQWUZZGE-LLVKDONJSA-N	315.329	1.692	50	20	DDGD	
COCc1ccc(S(=O)(=O)NNC(=O)C(C)(C)C)cc1	774616210	ZBSZHNNSJAMUDE-UHFFFAOYSA-N	300.380	1.189	50	20	DDGD	
C#CCN1CCC[C@H](NC(=O)NNC(=O)c2ccccc2C)C1	884017192	PBQBCACRJQQJLN-AWEZNQCLSA-N	314.389	1.037	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@H](O)Cc1cccc(F)c1	882225367	PLYHJMZVPSQWCC-GFCCVEGCSA-N	309.790	1.277	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCCN2C2CC2)cc1O	882050153	PRIKTDOUMWHHKZ-CYBMUJFWSA-N	303.362	1.088	50	20	DDGD	
CCOc1ccc(C=NNC(=O)N2CCN(C)CC2)cc1F	782281727	FFLCYJKIONPBGQ-UHFFFAOYSA-N	308.357	1.515	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cn(-c2cccc(Cl)c2)nn1	780173558	MLOHLRXWEYKEBQ-UHFFFAOYSA-N	307.741	1.338	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1cnn(C(C)C)c1C	787158129	REMYDYCRJKDLOO-UHFFFAOYSA-N	321.425	1.917	50	20	DDGD	
CCOC[C@H](NC(=O)NNC(=O)c1cccc(C#N)c1)C(C)C	788875066	CWTJONRGCIKPBO-AWEZNQCLSA-N	318.377	1.563	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@H](C(=O)NNc2cnc3ccccc3n2)C1	787272265	YQFOKCBLGPASPV-MNOVXSKESA-N	313.361	1.365	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1OC	889483259	JWEBGOQHZWPYGB-UWVGGRQHSA-N	323.349	1.282	50	20	DDGD	
CC(=O)Nc1ccc(F)c(C(=O)NNc2ncncc2Cl)c1	781834310	UAPFIUINRKKGFX-UHFFFAOYSA-N	323.715	1.984	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=Cc2c(Cl)cnn2C)c1	780197652	OZPFVSKSJFTYRB-UHFFFAOYSA-N	322.752	1.855	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](O)[C@@H](C)c1ccc(C)cc1	887145489	GGAQKOMHNVIWBE-BBRMVZONSA-N	302.374	1.410	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1scnc1C1CC1	782171202	SJYGRFYUPCJEFX-NSHDSACASA-N	322.434	1.439	50	20	DDGD	
CC1(C)CC[C@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)C1	781693981	JHHSDSVGLDXZPN-ZDUSSCGKSA-N	318.373	1.817	50	20	DDGD	
CCn1nccc1NC(=O)C(=O)NNc1cc(C)ccc1F	784884327	SXRMNRQBYPVTLW-UHFFFAOYSA-N	305.313	1.432	50	20	DDGD	
CCC(=NNC(=O)C(=O)Nc1ccc(C)c(C)c1)c1cn[nH]c1	788980516	JDCCZONICGPNFM-UHFFFAOYSA-N	313.361	1.896	50	20	DDGD	
C#CCOc1ccc(NC(=O)C(=O)NN(C)c2ccccc2)cc1	783432262	SGHDZNZWAOBMAS-UHFFFAOYSA-N	323.352	1.805	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc(C2OCCO2)cc1	899997915	AODZUSJFCJTRQX-UHFFFAOYSA-N	323.418	1.639	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccnn1CC(F)F	899996596	YTRLXGIXNZYMPJ-UHFFFAOYSA-N	305.354	1.056	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccn(-c2ccc(F)cc2C)n1	783044779	CRBRJICUNCZCFL-UHFFFAOYSA-N	319.340	1.674	50	20	DDGD	
O=C(NN=C[C@H]1CCSC1)c1nnc(O)c2ccccc12	782151667	IBXNJOMGUGCYPD-SECBINFHSA-N	302.359	1.804	50	20	DDGD	
COCCC1(C=NNC(=O)CN2CCCC2=O)CCCCC1	780200129	CGXRBAGSVIQRJF-UHFFFAOYSA-N	309.410	1.698	50	20	DDGD	
CCC(CC)N1C[C@H](C(=O)NNc2ccc(C#N)cn2)CC1=O	899664486	XQJQWRXLQOGZPW-GFCCVEGCSA-N	315.377	1.433	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCc3c(Cl)cccc32)CC1	790174951	UDQJASSXUBRLFE-UHFFFAOYSA-N	306.797	1.947	50	20	DDGD	
Cn1cc2c(n1)CCCC2=NNC(=O)CNc1ccccc1F	794466216	SIRDPZXLNOEIES-UHFFFAOYSA-N	315.352	1.828	50	20	DDGD	
Cc1nn(C)c(C=NNC(=O)c2ccccn2)c1Br	790281187	DUFPSEAKAYFPMH-UHFFFAOYSA-N	322.166	1.650	50	20	DDGD	
C[C@@H](C(=O)NNC(=S)NC(C)(C)C)N(C)CC(F)(F)F	899996133	OBKQUKMGILMVJI-ZETCQYMHSA-N	314.377	1.163	50	20	DDGD	
CC[C@H](O)[C@H](C)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	899949370	UOLSWGZZUUWIBP-NHCYSSNCSA-N	312.341	1.147	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1ccc([S@@](C)=O)cc1	797840113	IFFHPERUGMXLQK-OAQYLSRUSA-N	311.407	1.097	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cn1	794620774	WDPZXFWRXUHUOJ-UHFFFAOYSA-N	323.356	1.608	50	20	DDGD	
COC1(C=NNC(=O)[C@H]2COc3ccccc3O2)CCCC1	790142714	CYSMUINBFIALIK-CQSZACIVSA-N	304.346	1.888	50	20	DDGD	
C[C@H]1CCC[C@@H](OCC(=O)NNc2nc3ccccn3n2)C1	791259388	QNJCIGHUTNLCOY-NWDGAFQWSA-N	303.366	1.768	50	20	DDGD	
CS[C@@H]1CC[C@H](NC(=O)NNC(=O)c2cccc(C)n2)C1	792964822	HVHWWORZVOCLNK-WDEREUQCSA-N	308.407	1.618	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1n[nH]cc1[N+](=O)[O-]	791062918	IEJFCNKWXSNULV-UHFFFAOYSA-N	310.201	1.122	50	20	DDGD	
Cc1cccnc1NNC(=O)Cc1ccc(-n2cnnn2)cc1	791216331	QCNCVYDJSJBOAC-UHFFFAOYSA-N	309.333	1.052	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2cc3n(n2)CCCO3)nn1	1320767911	OUTXNUHXPNNVAD-UHFFFAOYSA-N	316.365	1.510	50	20	DDGD	
Cc1ncccc1CC(=O)NNc1cccc(S(C)(=O)=O)c1	1323575806	XWQHVYFFRIFPMY-UHFFFAOYSA-N	319.386	1.479	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCC[C@H]1CCCCO1	1328142745	GSTDGWVWCROAJY-YNEHKIRRSA-N	313.398	1.091	50	20	DDGD	
COc1cc(F)cc(NC(=O)C(=O)NNc2ccccn2)c1	1320046979	MQDNKFHYENYQHP-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)[C@@H]2CCCC23OCCO3)nn1	1322978243	GSTBDMCHXDQZOK-NSHDSACASA-N	320.393	1.760	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cnc([C@@H](C)O)s2)cc1	1320866547	YETKPOAIIUCDKJ-SECBINFHSA-N	305.359	1.969	50	20	DDGD	
CN(CCC(F)(F)F)C(=O)NNC(=O)c1ccc(C#N)cc1	1322480000	PSHPVBCGECAKRO-UHFFFAOYSA-N	314.267	1.797	50	20	DDGD	
Cn1ccc2ccc(NC(=O)C(=O)NNc3cccnn3)cc21	1321702752	SBGKMFNLCFKTMA-UHFFFAOYSA-N	310.317	1.050	50	20	DDGD	
O=C(NNC(=O)c1c(O)cccc1F)c1n[nH]c2c1CCCC2	1320367256	OFDCTTGARWPVJH-UHFFFAOYSA-N	318.308	1.208	50	20	DDGD	
COc1ccc(NCC(=O)NN=C(C)c2ccnc(C)n2)cc1	1326318419	JZEIWJFHNLAMNK-UHFFFAOYSA-N	313.361	1.746	50	20	DDGD	
C[C@H]1CCN(CCNC(=O)NNC(=O)c2ccccc2F)C1	1333876260	MZIMZEVRGOQFDT-NSHDSACASA-N	308.357	1.112	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N[C@@H]2C=CCC2)C[C@H]1Br	1331084061	HPBBBVXIOHLFFO-KBVBSXBZSA-N	301.184	1.111	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)c2ccccc2Cl)nc1	1339482257	OOLVEGDSUJVEOT-UHFFFAOYSA-N	319.748	1.747	50	20	DDGD	
CC(C)(C)OC(=O)CCCC(=O)NNC(=O)C1CCOCC1	1333678631	HJDWOKOJYFKBDW-UHFFFAOYSA-N	314.382	1.072	50	20	DDGD	
C[C@@H]1CCN(C(=O)C(=O)NC[C@]2(C)C[C@@H]2Br)C1	1347968512	XQKREIPJCJBKAS-PTRXPTGYSA-N	303.200	1.145	50	20	DDGD	
C[C@@H](OCc1ccncc1)C(=O)NNC(=S)N[C@H](C)C1CC1	1348729630	CSRPUBVDJAYAAT-GHMZBOCLSA-N	322.434	1.281	50	20	DDGD	
CCOC(=O)Cn1ccc(NC(=O)NCC(Cl)Cl)n1	1349710306	SXBUXUYKKUUWQS-UHFFFAOYSA-N	309.153	1.371	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H](c2cnn(C)c2)C(C)C)n1	1340838556	JPNKUMJGEWGCBD-AWEZNQCLSA-N	318.381	1.847	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccn(CC(C)C)n2)cc1	1350294354	QTXFHRATJXVVMG-UHFFFAOYSA-N	316.361	1.623	50	20	DDGD	
Cn1c(NNC(=O)CC(C)(C)CC(=O)O)nc2ccccc21	1600921699	IJJQGOLUJOXDLB-UHFFFAOYSA-N	304.350	1.907	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc(C[C@@H](C)C(=O)O)cc1	1603706240	OCMHWXWCJINHPZ-SNVBAGLBSA-N	307.350	1.759	50	20	DDGD	
Cc1cnc(C(=O)NNc2ccc(C(=O)O)c(F)c2)c(O)c1	1600616975	OJALUAOXHFKJBP-UHFFFAOYSA-N	305.265	1.690	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1ccc(-c2cn[nH]c2)cc1	1605820980	PMFMRAWBJMYTCV-UHFFFAOYSA-N	323.312	1.927	50	20	DDGD	
Cn1cc(C(=O)CCC(=O)NNc2ccccc2C(=O)O)cn1	1600928568	WZUQWEQELGWVQJ-UHFFFAOYSA-N	316.317	1.225	50	20	DDGD	
O=C(NNc1c(F)cccc1F)c1cnccc1-c1nn[nH]n1	1606853316	BPEZYFSSFOTEGX-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
CO[C@](C)(C(=O)NNc1ccc(-c2nn[nH]n2)cc1)C1CC1	1604996578	YVDUQOPZHITBPO-AWEZNQCLSA-N	302.338	1.125	50	20	DDGD	
CON1CCC(C(=O)NNc2ccc(F)c(C(=O)O)c2)CC1	1606994714	ATQNOIUYWJNCFO-UHFFFAOYSA-N	311.313	1.240	50	20	DDGD	
Cc1[nH]c(C(=O)COC(=O)/C(C#N)=C/C2CC2)c(C)c1C(=O)O	1610402634	RLPLAFCEMNXKMF-VZUCSPMQSA-N	316.313	1.916	50	20	DDGD	
CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Br	1800156132	GKLVIVFIRVMUEF-PKIKSRDPSA-N	321.190	1.725	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(Cl)Cl)C1CC1	1802349565	NDCLUYVEHBMJJB-ILWJIGKKSA-N	305.205	1.838	50	20	DDGD	
CO[C@@H]1C[C@H](C(=O)N2CCCC2)N(C[C@@H]2[C@H](C)[C@H]2Cl)C1	1550633466	RHJPNYJDZXJCAD-RYMFRWLXSA-N	300.830	1.571	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@H]1C=NNC(=O)c1cccnn1	1552925073	GGVOEFDVQNEZHL-AAEUAGOBSA-N	314.349	1.094	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@H]2C[C@@H](N)C2(C)C)c2ccccc21	1579953314	SNSCVTPYDRRCCV-TZMCWYRMSA-N	314.389	1.313	50	20	DDGD	
CC(=O)N1CCC(OC2CCN(C(=O)[C@H](F)Cl)CC2)CC1	1837755511	IDCBRGRJIJKWEF-ZDUSSCGKSA-N	320.792	1.539	50	20	DDGD	
CCC(CC)(C(=O)O)C(=O)NNC(=O)c1ccc(C)cc1O	1589476138	ZPODGTIJEJGVPV-UHFFFAOYSA-N	308.334	1.353	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1ccccn1	1588999711	MNZZQCLGWXBAFE-JTQLQIEISA-N	309.333	1.509	50	20	DDGD	
CC(C)(CC=NNC(=O)COc1ccccc1[N+](=O)[O-])C(=O)O	1590653689	DJSICXRVONVTBK-UHFFFAOYSA-N	323.305	1.577	50	20	DDGD	
C[C@@]1(CNc2cc(-c3nn[nH]n3)ccn2)C[C@H]1Br	1590134094	NNFLGYGSBFKIDN-KCJUWKMLSA-N	309.171	1.847	50	20	DDGD	
CCC(C)(C)[C@H](C)NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1590373192	CIHZLSPYMRIARB-VIFPVBQESA-N	318.385	1.713	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1ccc(CC(=O)O)cc1	1596663523	UYHOOTREZAZYIA-UHFFFAOYSA-N	323.349	1.283	50	20	DDGD	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNc1ccnc(C(F)(F)F)c1	1594227485	PIBQPEBZGLHTNS-KBUNVGBDSA-N	303.240	1.654	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@H](F)C(F)(F)F	1593166037	RHWSBYSOMZKOLU-ZETCQYMHSA-N	304.207	1.210	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)Nc2ccc(C(=O)O)cc2)CCCO1	1593755481	RPVKGUPTCALLAE-CQSZACIVSA-N	307.306	1.107	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)c2cccc(Cl)n2)cn1	1776092477	NXXNNPBOVHCRGW-UHFFFAOYSA-N	304.693	1.592	50	20	DDGD	
CC(=NNC(=O)c1ccc(CO)o1)c1csc(C(=O)O)c1	1776097003	CEBXAGZAOPJJOV-UHFFFAOYSA-N	308.315	1.686	50	20	DDGD	
COC(=O)NNC(=O)c1nc(C(C)C)n(-c2ccccc2F)n1	158764281	WMCMFOQTFHBCEE-UHFFFAOYSA-N	321.312	1.531	50	20	DDGD	
CN(C)c1cccc(CNC(=O)NNc2cccc(C#N)c2)n1	164471101	AYUIELAIDQYPJI-UHFFFAOYSA-N	310.361	1.846	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)OCc2ccccc2)[nH]n1	153188456	WSRFDVJJWASAEP-NSHDSACASA-N	302.334	1.084	50	20	DDGD	
COCCC1(C(=O)NNC(=O)c2cccc(C#N)c2)CCC1	153425541	GSLSLQBCSXRXNC-UHFFFAOYSA-N	301.346	1.526	50	20	DDGD	
O=C(CSCc1cscn1)NNc1ncnc2nc[nH]c12	153487116	QLDVKBWDQZHKRR-UHFFFAOYSA-N	321.391	1.186	50	20	DDGD	
CS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccccc2)cs1	154640234	PQFBLHVRZCZMSF-UHFFFAOYSA-N	324.383	1.226	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)NC2CC=CC2)cc1C	154968053	INWXXNIJTPPORM-UHFFFAOYSA-N	316.361	1.291	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2NCCc3ccccc32)n1	159087010	MPFBWQOCUOSOTE-AWEZNQCLSA-N	313.361	1.124	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNC(=O)c1cccn1C	159181165	VSZSXNCDPSWMDN-VIFPVBQESA-N	303.366	1.320	50	20	DDGD	
CC(=O)NC1C[C@@H](Br)C(=O)[C@H](Br)C1	2048531981	UNRCHFJOOQIGJW-RNFRBKRXSA-N	312.989	1.381	50	20	DDGD	
CN(C)CCC1CCN(S(=O)(=O)CCCCCl)CC1	155016481	YIBYAFCSEYFLJE-UHFFFAOYSA-N	310.891	1.999	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccccn2)c1C	6983893	OJWCPGZWNKPUBT-ZDUSSCGKSA-N	313.357	1.927	50	20	DDGD	
Cc1nc2ncnn2c(C)c1CCC(=O)NN(C)c1ccccc1	8358504	GELAJLDDABQHRD-UHFFFAOYSA-N	324.388	1.841	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2cccnc2C)c1	108253048	KFNOGNUBRLFWPK-UHFFFAOYSA-N	313.357	1.847	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cc(F)cc2[nH]cnc12	103456703	ANKHRKJCYGWROM-UHFFFAOYSA-N	313.292	1.101	50	20	DDGD	
CC(C)(C)S(=O)(=O)CC(=O)NNc1cccc2cnccc12	179715063	JCDUWHAFTRNBPU-UHFFFAOYSA-N	321.402	1.891	50	20	DDGD	
COc1cc(CC(=O)NNC(=O)c2cccn2C)ccc1C	119517091	SSUMFTFTSBEHGP-UHFFFAOYSA-N	301.346	1.346	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNc1nc2ccccc2c(=O)n1C	113186872	NWQPNVFEJSGPRU-NSHDSACASA-N	316.361	1.358	50	20	DDGD	
Cc1cc(C)c(CC(=O)NNc2ccc(C(N)=O)nn2)c(C)c1	179885331	DSBIAWLACOKCIN-UHFFFAOYSA-N	313.361	1.187	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)N1CCOCC1	27337829	PRVHHXCWJDSTFH-UHFFFAOYSA-N	321.421	1.666	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(Cl)nn2)cc1[N+](=O)[O-]	118497726	ARTYHPFAKNQYAR-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
CC[C@H]1CN(CC(=O)NNC(=O)c2ccc(C)cc2)C[C@H](C)O1	111274617	BERSPMATGBYBSF-ZFWWWQNUSA-N	319.405	1.255	50	20	DDGD	
Cc1cc(NNC(=O)CSC[C@@H]2CCCCO2)nc(C)n1	128845752	GLPKJSLNDNJJAR-LBPRGKRZSA-N	310.423	1.839	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)c1ccc(O)cc1O	170808560	WIQGGIUFKVGGBI-UHFFFAOYSA-N	314.341	1.882	50	20	DDGD	
CN(C)CC(=O)NNC(=O)[C@@H](OC1CCCC1)c1ccccc1	113426084	NUNPMENKVPFPJN-INIZCTEOSA-N	319.405	1.396	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1	21001366	MMGUYNFEYPSVEH-UHFFFAOYSA-N	310.269	1.541	50	20	DDGD	
CCC(CC)N1C[C@H](C(=O)NNC(=O)c2ccc(C)o2)CC1=O	176212149	JLAMYVJCWFXZLW-LLVKDONJSA-N	321.377	1.386	50	20	DDGD	
Cc1cccc(C)c1NCC(=O)NNC(=O)c1cccn1C	172971794	XABOGBZHNHNUAV-UHFFFAOYSA-N	300.362	1.515	50	20	DDGD	
CS[C@H](CO)[C@H](C)NC(=O)c1c(C)nn(CCCl)c1C	126509239	HZXMRKSVXDGQJC-GZMMTYOYSA-N	319.858	1.581	50	20	DDGD	
O=C(NNc1ncccn1)c1ccc(-c2ccccc2)[nH]c1=O	121962823	RAORJJPEWSUWKP-UHFFFAOYSA-N	307.313	1.589	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCc2ccco2)cc1OC	36638513	GPMYORLZAZWMAS-UHFFFAOYSA-N	318.329	1.691	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	121969191	BDEWMPXPTVTOMJ-ZETCQYMHSA-N	319.314	1.090	50	20	DDGD	
CCCCn1ncc(NC(=O)C(=O)NNC(=O)[C@H](C)CC)c1C	124688854	XUASDXLXHMTHQV-SNVBAGLBSA-N	323.397	1.124	50	20	DDGD	
COc1ccc(Br)c(C(=O)NN(C)C(N)=O)c1	181085696	XWSIQZYILGAOJM-UHFFFAOYSA-N	302.128	1.113	50	20	DDGD	
Cc1cccc(NNC(=O)c2cnc3sccn3c2=O)c1	73071185	BDXMGIGBBNCVAG-UHFFFAOYSA-N	300.343	1.821	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)C(C)(C)C)N1CCc2ccccc21	79509152	TXLCKQVDOIYQSZ-GFCCVEGCSA-N	318.421	1.814	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)o1	39484732	FCHLCOLVYKQMGG-SNVBAGLBSA-N	306.293	1.956	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C2(c3ccccc3F)CC2)cn1	121591388	PMKRHQSHPDYLRO-UHFFFAOYSA-N	302.309	1.052	50	20	DDGD	
O=C(NCCOCC(F)(F)F)NNC(=O)c1ccccc1	79143692	DZCMZFQYPHXOFO-UHFFFAOYSA-N	305.256	1.210	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc(C(C)C)cc2)nn1	123690811	KODRTDUOYKQOAF-UHFFFAOYSA-N	313.361	1.990	50	20	DDGD	
CCc1ccnc(C(=O)NNC(=O)CCc2ccccc2O)c1	181853669	NRGJGJDSQYQTIO-UHFFFAOYSA-N	313.357	1.743	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C\c1ccccc1OCC(=O)O	211625986	VRNLIWLMPANUMQ-LCYFTJDESA-N	302.330	1.973	50	20	DDGD	
COC[C@@H]1CN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C[C@@H](C)O1	188210054	BUSPCDJBRDOGOF-ALBQOWQCSA-N	318.348	1.995	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNC(=O)c1ccc(Cl)nc1	77248679	XNEWPQOVXDLBCU-UHFFFAOYSA-N	308.725	1.344	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)NCc2ccoc2)cc1	47089123	HCVABLARCSBVOS-UHFFFAOYSA-N	314.301	1.061	50	20	DDGD	
CCCn1nc(C)c(C(=O)NNc2nc(C)cc(OC)n2)c1C	133431034	RGOIYVALBVYQQO-UHFFFAOYSA-N	318.381	1.774	50	20	DDGD	
COC(=O)CCCC(=O)NNC(=O)c1cc2ccccc2o1	131355968	SRRWXRPJHWOTFY-UHFFFAOYSA-N	304.302	1.537	50	20	DDGD	
COCCCNC(=O)NNC(=O)CC[C@H](C)c1ccccc1	130522965	LIVVARBJXHOUKA-ZDUSSCGKSA-N	307.394	1.937	50	20	DDGD	
O=C(NNS(=O)(=O)c1cccc(Cl)c1)NC1CCCC1	49419589	GTKZPWKPOAXHSK-UHFFFAOYSA-N	317.798	1.775	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cccc(OC(F)(F)F)c1	190059259	VRTYKDLKHOQXLY-UHFFFAOYSA-N	306.240	1.117	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC2CC2)c2cnn(C(C)C)c2n1	138649050	QTJPMSMDRSETSP-UHFFFAOYSA-N	316.365	1.427	50	20	DDGD	
Cn1cccc1C(=O)NNS(=O)(=O)c1cc2ccccc2o1	84920079	PQWQXDZPGXMRKS-UHFFFAOYSA-N	319.342	1.395	50	20	DDGD	
CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NNC(=O)C(C)(C)C	131797964	IMKHDTAKBTWBPZ-NSHDSACASA-N	311.426	1.607	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1csc(-c2cccs2)n1	190070059	VXSQDPILPGHADE-UHFFFAOYSA-N	311.388	1.404	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1ccc(-n2cnnn2)cc1	85682618	VUGZMPPWBQTEMB-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
CC(C)C(=O)N1CCC(C(=O)NNC(=O)CC2CCCC2)CC1	195212117	AWSCTMNSBXTMGE-UHFFFAOYSA-N	323.437	1.609	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1ccc(N2CCCC2)nc1	194755390	DEIANDKGFHWDHJ-UHFFFAOYSA-N	314.349	1.476	50	20	DDGD	
Cc1ccc(OCCCC(=O)NNC(=O)C(C)(C)O)c(C)c1	192926228	KZWXPGDKKAXDLO-UHFFFAOYSA-N	308.378	1.381	50	20	DDGD	
CO[C@H](C)CC(=O)NNC(=O)c1cc(-c2ccc(C)cc2)n[nH]1	195495304	XCAIOYADWWSTQC-LLVKDONJSA-N	316.361	1.571	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cccc(OCCOC)c1	193443401	HRBNYZFRWNCQBK-GXDHUFHOSA-N	304.346	1.381	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(-n2cnc3ccccc32)nc1	92241356	NJJKFXYMVJGRSI-UHFFFAOYSA-N	324.344	1.384	50	20	DDGD	
C[C@@H]1CN(CCCNC(=O)NN(C)c2ccccc2)C[C@@H](C)O1	264122633	MRCHHODXKHBQSR-HUUCEWRRSA-N	320.437	1.836	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cc(C(=O)N(C)C)ccc1OC	269487719	REWPTIJIRRQCHR-ZRDIBKRKSA-N	317.345	1.779	50	20	DDGD	
O=C(NNS(=O)(=O)N1CCCCC1)c1cccc(Cl)c1	266014585	IKKBLGBPXJJHGY-UHFFFAOYSA-N	317.798	1.305	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)c2cccc(OC)c2O)O1	268220595	JSSNWLLHQDSDSZ-SKDRFNHKSA-N	308.334	1.119	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2ccccc2OC)n1	266938832	HLLJSBNXUBWUAF-UHFFFAOYSA-N	317.349	1.629	50	20	DDGD	
CC(C)C[C@H](C)NC(=O)NNc1nc(O)c2cnn(C)c2n1	269904259	NLOCSRFQTYPFCA-QMMMGPOBSA-N	307.358	1.130	50	20	DDGD	
C[C@@]1(CCCC(=O)NNc2ccccc2Cl)NC(=O)NC1=O	269578003	HMGFKFDWVZFZMQ-AWEZNQCLSA-N	324.768	1.552	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1ncnc2ccsc12)C(C)C	268995923	PWAXBMNDSGUEBD-VIFPVBQESA-N	323.378	1.515	50	20	DDGD	
CC[C@H](Oc1cccc(C)c1)C(=O)NNc1nccn(C)c1=O	267296228	DONQIFYNNLNWME-ZDUSSCGKSA-N	316.361	1.389	50	20	DDGD	
Cc1nc(C(=O)NN=c2nc(-c3ccncc3)[nH]o2)sc1C	365673460	WJCJZRURAQYMQQ-UHFFFAOYSA-N	316.346	1.384	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)NC1CCC1	270593482	UEHHRCNBGGXPTA-UHFFFAOYSA-N	309.391	1.670	50	20	DDGD	
CCONC(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	277742457	PEWYERDNBZDTDB-QMMMGPOBSA-N	301.730	1.389	50	20	DDGD	
COCc1c(C(=O)NNC(=O)C(C)(C)O)oc2ccccc12	277980094	OJQUAENKRBVHDM-UHFFFAOYSA-N	306.318	1.111	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccccc1N1CCCCC1	274231039	QMMGKVZWKYKRKP-UHFFFAOYSA-N	320.349	1.003	50	20	DDGD	
Cc1nn(C(C)(C)C)cc1C(=O)NNC(=O)c1ccccn1	273020447	DOSPDMABRWJUBC-UHFFFAOYSA-N	301.350	1.416	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)C1SCCS1	270508698	ODEKCUQRZDIAQM-UHFFFAOYSA-N	316.379	1.158	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C2(c3cccnc3)CCCC2)cn1	377399411	NUYDZPLEDQIVBM-UHFFFAOYSA-N	313.361	1.088	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)CCCCCl)CC[S@](=O)C1	374005462	HQECWFSCLLFVHY-HWPZZCPQSA-N	301.861	1.036	50	20	DDGD	
CN1Cc2ccccc2[C@H](NC(=O)NNC(=O)c2ccc[nH]2)C1	374380109	JPABUMJLHNNUEJ-CQSZACIVSA-N	313.361	1.145	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@@H]1CCN(CC(F)(F)F)C1	280250529	IRVHPRRWCRFRJI-MRVPVSSYSA-N	306.263	1.548	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)C[C@@H](C)CC(=O)OC)n1	289975249	ZKCYHADPJVYAHC-LLVKDONJSA-N	323.397	1.355	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H]2C[C@H]2Cc2ccccc2)n1	280793969	GTADWKUDFRQMRX-ZBFHGGJFSA-N	324.384	1.965	50	20	DDGD	
COC(=O)[C@@H](Cc1ccc(C)cc1)NNC(=O)c1ccc[nH]1	280979560	MLQCCRXLVMIDBH-CQSZACIVSA-N	301.346	1.342	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NNC(=O)Nc2ccccc2)C1	282863377	UBHUVMVLLRMBTN-LLVKDONJSA-N	304.350	1.098	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H](C)OC[C@H]1CCCO1	281286473	QOEUKILKUIQGLO-QWHCGFSZSA-N	321.377	1.732	50	20	DDGD	
CC(=O)NNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1	280793010	LGYQOQHKFNPTOT-CYBMUJFWSA-N	321.377	1.728	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)Nc1cc(F)cc(F)c1)C(C)C	802000014	ILISECVSTAOMNQ-NSHDSACASA-N	301.293	1.789	50	20	DDGD	
O=C(COCc1ccccn1)NNC(=O)NC1CCCCC1	805156082	GPBLBHROEXIDPT-UHFFFAOYSA-N	306.366	1.261	50	20	DDGD	
CCCCOc1ccc(NC(=O)NNC(=O)[C@@H]2CCCO2)cn1	296975745	SNQUIDZEIAMUSS-LBPRGKRZSA-N	322.365	1.592	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(NCC2CC2)nc1	800690673	HEZKZCBAAPHKDD-UHFFFAOYSA-N	314.349	1.010	50	20	DDGD	
O=C(NNC(=O)c1ccc2ccccc2n1)NOCC1CC1	297164048	ALVWUBUTLBDHTH-UHFFFAOYSA-N	300.318	1.520	50	20	DDGD	
O=C(CO[C@@H]1CCCc2ccccc21)NNC(=O)[C@@H]1CCCO1	292136783	LXHTVYIVECTMLE-CABCVRRESA-N	318.373	1.407	50	20	DDGD	
O=C(NNc1ccncn1)[C@@H]1CCCN1Cc1ccc(F)cc1	295537713	RXLOXJJRMIXFCP-AWEZNQCLSA-N	315.352	1.723	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@H](C(=O)NNc2nccnc2C2CCC2)C1	805464543	ZNZAAXMHJOMYQX-NEPJUHHUSA-N	317.393	1.479	50	20	DDGD	
CC[S@@](=O)CC(=O)NNc1ccc(Br)c(F)c1	294958593	JSSMTNURIRFHNR-QGZVFWFLSA-N	323.187	1.800	50	20	DDGD	
CC(C)(C)CCC1(O)CC(C(=O)NNC(=O)c2cccnc2)C1	294210529	IUFCJVGTCZQBIZ-UHFFFAOYSA-N	319.405	1.810	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@]12CCc1ccccc12)[C@@H]1CCCO1	292164543	OWYHENIHXYGTQW-JKIFEVAISA-N	300.358	1.217	50	20	DDGD	
Cc1ccc2cccc(C(=O)NNC(=O)[C@H]3CCCCO3)c2n1	295606160	QHUZILCPVYXALG-CQSZACIVSA-N	313.357	1.873	50	20	DDGD	
COC[C@H](C)n1ccc(NC(=O)NNc2ncccc2F)n1	806442791	JMHQBNMBALSDII-VIFPVBQESA-N	308.317	1.773	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc2c(c1)NC(=O)CS2	298824502	ZUVNNQRNLFTWRK-UHFFFAOYSA-N	307.375	1.538	50	20	DDGD	
CCOc1cccc(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	292626002	NGBWAOVTHNVTHZ-GWCFXTLKSA-N	307.350	1.806	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)[C@@H]1Cc2ccc(F)cc21	804955233	OTVQDJAILSILIA-CYBMUJFWSA-N	324.319	1.584	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ncsc1C(C)C	291609394	GBPQIZZGSHLHCO-UHFFFAOYSA-N	318.493	1.738	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2c(F)cccc2F)sn1	806983696	BXZIPJFMXPKNCR-UHFFFAOYSA-N	312.301	1.812	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@@H]1CC1(F)F	294548921	VQARHMMLVAJQPV-QMMMGPOBSA-N	304.680	1.765	50	20	DDGD	
CCOc1cc(C(=O)NNC(=O)c2cccc(N(C)C)c2)on1	294349195	LXDLAYKFQSZKEK-UHFFFAOYSA-N	318.333	1.214	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H]2CCc3nnc(C)n3C2)cc1	817900239	ZVPFVOOUBLGHDV-LBPRGKRZSA-N	315.377	1.691	50	20	DDGD	
Cn1cc(C(=O)NNc2ncncc2F)c(-c2ccoc2)n1	817080305	YYYHTEJXFBPMRN-UHFFFAOYSA-N	302.269	1.366	50	20	DDGD	
COc1ccc(/C=C(\C)C(=O)NNc2cnnn2C)cc1F	816772045	KXTGDOPWSHRGSW-RMKNXTFCSA-N	305.313	1.509	50	20	DDGD	
CC(=NNC(=O)[C@H]1COc2ccccc2O1)C1CCN(C)CC1	814700848	FTEKQPIYEVFKEB-MRXNPFEDSA-N	317.389	1.660	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCC[C@]1(O)C[C@H]2CC[C@H]1C2	813787826	NGADJFKCXDNEGZ-AUTRQRHGSA-N	323.315	1.210	50	20	DDGD	
O=C(CSCC(=O)c1ccccc1)NNc1ncncc1F	817080097	FHCUQVCKUOTPKZ-UHFFFAOYSA-N	320.349	1.675	50	20	DDGD	
CC1(C)C(=O)Nc2ccc(C(=O)NNc3ncncc3F)cc21	817077052	DGYXWZKHRSBLFW-UHFFFAOYSA-N	315.308	1.602	50	20	DDGD	
COc1cccc(OC)c1CC(=O)NNc1ncncc1F	817082729	ZCSITXDXCXWUMM-UHFFFAOYSA-N	306.297	1.319	50	20	DDGD	
Cn1c(NNC(=O)[C@H]2CC23CCOCC3)nc2ccccc21	816578102	LVPFRMNRJGFXAD-LLVKDONJSA-N	300.362	1.833	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CSc2nc(C)c(C)[nH]2)cc1	814780009	XJMXACFSSGVCIJ-UHFFFAOYSA-N	318.402	1.888	50	20	DDGD	
C[C@@H](CC(=O)NCCCSC#N)NC(=O)c1ccccc1	816539269	YSBFXEHTKAYZIR-LBPRGKRZSA-N	305.403	1.916	50	20	DDGD	
O=C(NN=Cc1ccc(Br)o1)C(=O)N1CCCC1	814824207	MYTPPNPRKITHOZ-UHFFFAOYSA-N	314.139	1.115	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@](C)(O)c1ccc(Cl)cc1	814795389	CWQHRMGULZFOKD-OAHLLOKOSA-N	321.764	1.347	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NOC/C=C\Cl)c1	811982843	FCHPTHTWYJNMGC-DAXSKMNVSA-N	312.757	1.381	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cc(Cl)c(F)cc1O	814776829	JQDLRQRKNMHBGJ-UHFFFAOYSA-N	301.705	1.159	50	20	DDGD	
CCN(CCO)NC(=O)[C@H](CN1CCCC1)c1ccccc1	823884781	JOJXDKLFHVADCK-MRXNPFEDSA-N	305.422	1.211	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C=C1CCC1	494093386	AGBSJOTXAVKKJS-UHFFFAOYSA-N	311.382	1.549	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@@H]1CCc2ccc(O)cc21	822683540	HEAHIHPALICJKZ-SNVBAGLBSA-N	317.267	1.662	50	20	DDGD	
C[C@H](CC(=O)NNc1cccc(-c2nn[nH]n2)c1)c1cccnc1	824384614	FJATUHIQCSXREU-LLVKDONJSA-N	323.360	1.899	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(C)C1C[C@@H]2CC[C@H](C1)N2CCOC	491086871	VOLMVZDRWHPICI-YEOGVAATSA-N	321.421	1.531	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=C1COC(C)(C)C1	496038241	CCSXAFLCGJSPAI-GFCCVEGCSA-N	323.393	1.574	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	490939647	GWYUGCNONIBULJ-CLFYSBASSA-N	318.289	1.012	50	20	DDGD	
O=C(Cc1ccccc1O)NNc1nc(-c2cccnc2)no1	728074802	KIYBNHQORBDLNS-UHFFFAOYSA-N	311.301	1.523	50	20	DDGD	
Cc1ccccc1C1(NCC(=O)NNC(=O)C(C)(C)C)CC1	829500917	SYUNNCRAJDZSDP-UHFFFAOYSA-N	303.406	1.767	50	20	DDGD	
C[C@@]1(C(=O)NCc2ccc(C(N)=O)cc2)C[C@H]1Br	905253420	RYUXNJWBWWHQSW-ZWNOBZJWSA-N	311.179	1.575	50	20	DDGD	
CCCc1noc2nc(CC)cc(C(=O)NN(C)[C@H](C)CO)c12	823922879	NLZHKLKUEDNIGT-SNVBAGLBSA-N	320.393	1.695	50	20	DDGD	
C[C@H](NNC(=O)CN(C)CCc1ccccc1)C(F)(F)F	824833553	YOOZFVGXUYGZMO-NSHDSACASA-N	303.328	1.733	50	20	DDGD	
Cc1cc(Br)oc1C(=O)N1CC[C@H](B(O)O)C1	585078223	WPQHRBYCZRXHDL-ZETCQYMHSA-N	301.933	1.039	50	20	DDGD	
C[C@H](CCOCc1ccccc1)NCc1ccc(B(O)O)cc1	585040447	FKONHQMDNVNBPK-OAHLLOKOSA-N	313.206	1.451	50	20	DDGD	
O=C(N1CC[C@@H](B(O)O)C1)C1(c2ccc(F)cc2)CCCC1	585072896	SXBCGWJNGWJKKN-CYBMUJFWSA-N	305.158	1.713	50	20	DDGD	
COCCN(C)NC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C	496526300	UFTWTFXOHXQBJU-GFCCVEGCSA-N	315.414	1.385	50	20	DDGD	
CCOc1ccccc1C(F)(F)C(=O)NN(C)[C@@H](C)CO	823940196	ULMZUZQTLWSSQA-JTQLQIEISA-N	302.321	1.521	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)CC(=O)O)c1C	738068320	XPRHGSRWJFYHJW-RIYZIHGNSA-N	319.361	1.201	50	20	DDGD	
CC(C)c1ccc(CCNC(=O)c2cccc(B(O)O)c2)cc1	584923606	AJXXZLLNJCDWJX-UHFFFAOYSA-N	311.190	1.462	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cc(OC)ccc1Cl	495408396	RHWRBFTUGWWDHS-UHFFFAOYSA-N	315.713	1.064	50	20	DDGD	
O=C(Cc1coc(-c2cccs2)n1)N1CC[C@@H](B(O)O)C1	585069201	JFHYFIUMLSUPBP-SECBINFHSA-N	306.152	1.021	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H]1CC(c2ccc(C)cc2)=NO1	907253365	UDNAFRKGEVLPDC-CYBMUJFWSA-N	304.350	1.181	50	20	DDGD	
O=C(NCc1nnnn1-c1ccccc1)NNc1ccccc1	734274710	BSZAYBRBUSZSOA-UHFFFAOYSA-N	309.333	1.489	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCC1(C(=O)N(C)C)CCCC1	733353366	LZYNLRSGJVHKJN-UHFFFAOYSA-N	312.414	1.012	50	20	DDGD	
COCCOc1ccc(NCc2ccc(B(O)O)cc2)cc1F	585011727	CYQZZQWEYOVBCS-UHFFFAOYSA-N	319.141	1.143	50	20	DDGD	
CCN(CC)CC(=O)NNc1ccc(Br)nc1	732834716	NNDPAXVOSMKKLS-UHFFFAOYSA-N	301.188	1.629	50	20	DDGD	
CCC[C@@H](C)[C@H]1CCCN1C(=O)c1ccc(B(O)O)c(F)c1	584963531	UTLXBMVYRJTEJP-IAQYHMDHSA-N	307.174	1.546	50	20	DDGD	
OB(O)c1cccc(CNCC2CCN(c3ccccc3)CC2)c1	585038580	IESMKNYIAJGMJE-UHFFFAOYSA-N	324.233	1.373	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CCSCC(=O)O	737905573	LZNLEQFIBXBOOF-UHFFFAOYSA-N	315.303	1.717	50	20	DDGD	
CS[C@H]1CCC[C@H](NC(=O)NNC(=O)CC(F)(F)F)C1	735385188	WNINKZGVMLGMDH-YUMQZZPRSA-N	313.345	1.943	50	20	DDGD	
O=C(NN[C@@H](C(=O)O)c1cccnc1)c1cc2ccccc2o1	833149129	GAEBJXSEKFOTLU-CQSZACIVSA-N	311.297	1.888	50	20	DDGD	
OCC[C@H](NCc1ccccc1B(O)O)c1ccc(Cl)cc1	585040511	MAOKJNHMODQDSU-INIZCTEOSA-N	319.597	1.233	50	20	DDGD	
CCC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)CCl)C1	830307425	QAMKZAABUFLECI-MNOVXSKESA-N	310.847	1.529	50	20	DDGD	
Cc1ccc([C@H](C)[C@@H](O)C(=O)NNC(=O)[C@@H]2CCCCO2)cc1	833778953	LPMSLQZRJQTITK-AEGPPILISA-N	320.389	1.176	50	20	DDGD	
COCCC1(CNC(=O)NNc2cccc(C(=O)O)c2)CC1	833723214	FTJRIFCVSJBAKT-UHFFFAOYSA-N	307.350	1.828	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNc2cnccn2)nc1C	734243929	LKFOAYTXNWASAT-UHFFFAOYSA-N	301.306	1.114	50	20	DDGD	
O=C(NCc1ccc(C(=O)O)o1)NNC(=O)c1ccccc1	739437412	HXCFVAJHMIAJCO-UHFFFAOYSA-N	303.274	1.122	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)o1)c1ccccc1OC(F)F	585014785	DLSXXLTVCPYALJ-VIFPVBQESA-N	311.093	1.412	50	20	DDGD	
CC(C)[C@H]1CC[C@H](C(=O)NNC(=O)CN2CCCC2=O)CC1	913731499	KVIQITIGBDUYGV-JOCQHMNTSA-N	309.410	1.219	50	20	DDGD	
CC[C@@H]1CCCC(=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1	734980657	VHXVXOCFFBLYIX-ZYHUDNBSSA-N	301.412	1.429	50	20	DDGD	
COCCN(C)NC(=O)c1cccc(S(=O)(=O)C(C)C)c1	837625147	JBQNZGCMZZHYDN-UHFFFAOYSA-N	314.407	1.092	50	20	DDGD	
COc1cc(OC)cc(S(=O)(=O)NCCCSC#N)c1	916985538	HFRABJWOIIZDDM-UHFFFAOYSA-N	316.404	1.586	50	20	DDGD	
COc1ccc(C(=O)C[C@H](C)C(=O)NN(C)C[C@@H](C)O)cc1	910151654	HRNPTAPKWQIOPJ-NWDGAFQWSA-N	308.378	1.248	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)CSc2ccccc2O)CCCCO1	837507430	VLTYKJKZGMQRBE-OAHLLOKOSA-N	324.402	1.591	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCC(C)(F)F)c1	836481298	LBQRFEPTFGWBPU-UHFFFAOYSA-N	300.309	1.352	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C(C)c1cn(C)nc1C	917533678	LABCZAVNWQIZEK-UHFFFAOYSA-N	315.377	1.689	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCC(C)(C)OC)c(F)c1	838494642	IEVGOUSROYWOJY-UHFFFAOYSA-N	313.329	1.663	50	20	DDGD	
C[C@H](C(=O)O)n1cccc1C=NNC(=O)c1ccc(C#N)cc1	833406622	OSCMGTBUOOAGOL-LLVKDONJSA-N	310.313	1.769	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2nc(C)n3ccccc23)n1	746627056	DPHYLJSSBGJBON-UHFFFAOYSA-N	312.333	1.507	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)CN1CCCC1=O)c1ccccc1F	913730642	CRUCTARJXBMCHC-NSHDSACASA-N	321.352	1.089	50	20	DDGD	
COC(=O)CCCC(=O)NNc1ccc(C(=O)OC)cc1F	839793858	XPHCEAXTCPSWSP-UHFFFAOYSA-N	312.297	1.399	50	20	DDGD	
CO[C@@H](C=NNC(=O)CCOc1ccccc1)C1CCOCC1	834951097	ZXOGVJHQTBDYOD-INIZCTEOSA-N	320.389	1.999	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2cn3ccsc3n2)n1	916218968	XNBKWIOSFFKMAM-UHFFFAOYSA-N	319.350	1.021	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccccc1OC(C)C	748253664	QJXAJTYYDPIJGP-CYBMUJFWSA-N	308.378	1.975	50	20	DDGD	
O=C(CCCn1cccn1)NNC(=O)c1ccc(Cl)cc1	745477591	YZSLSWHVBSRXEG-UHFFFAOYSA-N	306.753	1.778	50	20	DDGD	
COc1ccc(O)c(C(=O)NNC(=O)c2ccc(C#N)cc2)c1	747214936	XPHPJTZBUBSIAG-UHFFFAOYSA-N	311.297	1.347	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN(CCC#N)Cc1ccco1	747961294	LOPRIXRVMCAGON-UHFFFAOYSA-N	306.366	1.189	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F	843650931	ITNIWHFPPGEOIH-XPXLGCRWSA-N	324.327	1.641	50	20	DDGD	
Cc1cc2c(cc1C)O[C@@H](C(=O)NNC(=S)NC(C)(C)C)C2	743823147	UQANYKYUOVUELA-CYBMUJFWSA-N	321.446	1.901	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(OC2CCC2)cc1	843652322	JBABFVORCDSMST-IAQYHMDHSA-N	318.373	1.804	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	916111186	BDBZLXOJLUGEPV-GZBFAFLISA-N	320.389	1.643	50	20	DDGD	
CC(=NNC(=O)COc1ccc(F)cc1)c1cc2n(n1)CCC2	841613011	QGAIZVYOAWQYMW-UHFFFAOYSA-N	316.336	1.888	50	20	DDGD	
CCO[C@H](C)c1ncc(C(=O)NNC(=O)c2ccccn2)s1	742462990	JGGSSXMWJZTVOA-SECBINFHSA-N	320.374	1.710	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cnc2ccccc12	843656694	YVZITSYINSQQFX-AAEUAGOBSA-N	313.357	1.729	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cccc(OC(C)C)c1	748254073	VKUIIXGTXYXTTC-ZDUSSCGKSA-N	308.378	1.975	50	20	DDGD	
NNC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1	916163040	KHOGPYSQKQRURX-UHFFFAOYSA-N	324.134	1.898	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2cn3ccccc3n2)cc1	918708498	QKLXCVWIMQOBGG-UHFFFAOYSA-N	324.340	1.872	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CCC1	843654887	HHIXSCPQJMMWKH-KGLIPLIRSA-N	316.401	1.989	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@@H]1CCc2cccnc21	847115267	GTIILBGKHHPXSV-MRVPVSSYSA-N	302.256	1.004	50	20	DDGD	
CCCC[C@@H](CN)NC(=O)NNC(=O)c1cc2c(s1)CCC2	841959816	UEGSGHGLRVFSNX-NSHDSACASA-N	324.450	1.698	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843661725	NPLOVZIMZMNKDF-UBHAPETDSA-N	309.366	1.357	50	20	DDGD	
CC(C)Cc1ccccc1C(=O)NNC(=O)CN1CCCC1=O	913732290	PINDKCHKUIDUBT-UHFFFAOYSA-N	317.389	1.269	50	20	DDGD	
CCCNC(=O)NNC(=O)C[C@H](c1nccn1C)C(F)(F)F	847393448	GCYALHKQFREVRM-MRVPVSSYSA-N	321.303	1.197	50	20	DDGD	
CC1(NC(=S)NNC(=O)CCOc2ccccc2)CCC1	840726008	CPHIBPDFRGPMQK-UHFFFAOYSA-N	307.419	1.893	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc(OC)c(C#N)c1	741758343	WCBHZFAOKMWQNV-UHFFFAOYSA-N	302.378	1.749	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H](C)c2ccco2)c1	741516409	VEXMUHUHDJJPBC-JTQLQIEISA-N	318.329	1.862	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)C1SCCCS1	842223741	CWCFTISDKVEMTH-UHFFFAOYSA-N	311.432	1.442	50	20	DDGD	
CCOc1nc(C(=O)NNc2ccc(CC(=O)OC)cc2)co1	846378000	RDVUXKATZLDSEV-UHFFFAOYSA-N	319.317	1.546	50	20	DDGD	
COc1ccc(NNC(=O)c2csc(NC(C)=O)n2)cc1	746885770	CTPSDPGEIHPOGQ-UHFFFAOYSA-N	306.347	1.867	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2CCC(=O)N2)cc1C(F)(F)F	746889770	PMONCIGDTXLOFX-JTQLQIEISA-N	312.251	1.299	50	20	DDGD	
CC[C@@](C)(O)C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	929291956	XWTAGBUKAPRHSZ-MLGOLLRUSA-N	308.378	1.379	50	20	DDGD	
CCO[C@@H]1C[C@H](N(C)CC(=O)NNC(=O)C(C)(C)C)C1(C)C	744405212	MWKBURIEGYNIQP-NWDGAFQWSA-N	313.442	1.315	50	20	DDGD	
O=C(COC(=O)C1CC=CC1)NNC(=O)c1ccc(Cl)cc1	741045168	BKEWLJXIMAGFAG-UHFFFAOYSA-N	322.748	1.610	50	20	DDGD	
CSC[C@H](C)C(=O)NNc1ncc(Br)cn1	848321111	JAKYPHGYFUJVAG-LURJTMIESA-N	305.201	1.681	50	20	DDGD	
CCOC(=O)C1(CNC(=O)NNC(=O)C2CCCC2)CCC1	741091405	JSYAAOKKUVUIFQ-UHFFFAOYSA-N	311.382	1.240	50	20	DDGD	
CCN(CC)c1ncc(C=NNC(=O)NCCCOC)s1	920829547	HQRSHQQPSZMTKL-UHFFFAOYSA-N	313.427	1.659	50	20	DDGD	
C=C(Br)CNC(=O)NNC(=O)CC(F)(F)F	921125456	FKCZQPBFYDJRSA-UHFFFAOYSA-N	304.066	1.178	50	20	DDGD	
O=C(COc1ccc2ccccc2c1)NNC(=O)c1cn[nH]c1	920436980	MHCDVIUWVWEMAB-UHFFFAOYSA-N	310.313	1.403	50	20	DDGD	
CCn1cc([C@H](C)NC(=O)NNC(=O)c2cc(C)cs2)cn1	858520809	IOVZKUZZQMOZGK-JTQLQIEISA-N	321.406	1.978	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ccn(C(F)F)n2)n1	753450311	QZJBBTYJEFXIHH-UHFFFAOYSA-N	303.660	1.061	50	20	DDGD	
CC[C@@H](CN1CCOCC1)NC(=O)NCCSSC	922390676	WMPPTMCYBUIPHO-NSHDSACASA-N	307.485	1.408	50	20	DDGD	
C[C@@]1(CNC(=O)c2cc(F)cnc2O)C[C@@H]1Br	857407881	MYPOPPVRFMXVLQ-KWQFWETISA-N	303.131	1.830	50	20	DDGD	
Cn1c(C(=O)NNC(=O)c2cccc(Cl)c2)cccc1=O	756864042	PLDDZTSEDPJAPN-UHFFFAOYSA-N	305.721	1.114	50	20	DDGD	
Cn1cc(C(=O)NNc2nccnc2Cl)c(C(F)F)n1	755278177	VHWSQEXSFCFMIP-UHFFFAOYSA-N	302.672	1.558	50	20	DDGD	
C[C@@H]1CN(C(=O)NC[C@]2(C)C[C@H]2Br)CC[C@H]1N	857105740	QYWDVKQTCVMZGV-BFLSOPEQSA-N	304.232	1.539	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C23CCC(CC2)C3)cc1	753401595	XUXNWXZBJZYPJU-UHFFFAOYSA-N	317.389	1.835	50	20	DDGD	
O=C(CC[C@@H]1CC1(Cl)Cl)NNC(=O)c1ccccn1	854122605	RARTUNXDHMLANI-MRVPVSSYSA-N	302.161	1.817	50	20	DDGD	
CCCn1nccc1C=NNC(=O)CNc1ccccc1F	853264132	RKKNXGCSBBXSMT-UHFFFAOYSA-N	303.341	1.994	50	20	DDGD	
O=C(CCCn1cnc2ccccc21)NNC(=O)NC1CC1	920823224	GIDCDHBWOCQYLZ-UHFFFAOYSA-N	301.350	1.309	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ncccc1OCC(F)(F)F	752399751	KOVQGCXIKWYLIO-UHFFFAOYSA-N	319.283	1.830	50	20	DDGD	
C[C@H]1CN(C(=O)NC[C@]2(C)C[C@H]2Br)C[C@@H](C)O1	856899790	GQQFGFRFKHXJHS-KLBPJQLPSA-N	305.216	1.979	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCC[C@@H]2C[C@H]3CC[C@H]2O3)c1	858533454	TUHMCSQFZDZBAW-IJLUTSLNSA-N	323.418	1.958	50	20	DDGD	
Cc1cc(C)cc([C@@H](C)NC(=O)NNC(=O)c2cn[nH]c2)c1	858203193	OGEHMDUUHOBCSO-LLVKDONJSA-N	301.350	1.732	50	20	DDGD	
CCN1C[C@@H](NC(=O)NNc2ccc(Cl)c(C)c2)CC1=O	922725497	YCIASZJTHACBJY-NSHDSACASA-N	310.785	1.895	50	20	DDGD	
Cc1cnc2nc(C(=O)NC[C@]3(C)C[C@H]3Br)nn2c1	857408394	VVNIUXKOSLYPAC-PELKAZGASA-N	324.182	1.336	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccc(Cl)cn2)[C@H]2CCCC[C@H]2N1	856094385	HNKCIQDXSZJFOG-GRYCIOLGSA-N	322.796	1.873	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1cnc2nccnc2c1	759028692	TXHWPOPZQBWRLY-UHFFFAOYSA-N	321.340	1.419	50	20	DDGD	
CC[C@@H](OC)C(=O)NNC(=S)NCCc1cccs1	753018451	WRWOOYNCAFJBAG-SNVBAGLBSA-N	301.437	1.211	50	20	DDGD	
COc1ccc(CCC(=O)NN=Cc2cnc3n2CCC3)cc1	853291984	LZICHKBZDALLTC-UHFFFAOYSA-N	312.373	1.921	50	20	DDGD	
O=C(NN=C[C@@H]1CCc2ccccc21)N[C@H]1CCS(=O)(=O)C1	755664730	PXDFTTPYNIOTSD-STQMWFEESA-N	321.402	1.189	50	20	DDGD	
CCCN1CC[C@@H](CNC(=O)NNC(=O)c2cc(C)cs2)C1	858282237	VBSDLXNNRIZOKU-LBPRGKRZSA-N	324.450	1.732	50	20	DDGD	
C[C@@H](Oc1ccccn1)C(=O)NNC(=S)N[C@H](C)C1CC1	855095820	PIDKMSURLYLTQZ-NXEZZACHSA-N	308.407	1.143	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)cc[nH]1	862510353	DJOSPEMGVLJELB-FMKPAKJESA-N	320.437	1.389	50	20	DDGD	
O=C(NN=CC[C@H]1CCOC1)c1nn(-c2ccccc2)cc1O	765570776	XAPGXDFTBJAVJP-LBPRGKRZSA-N	314.345	1.720	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@H](c1ccccc1)n1cccn1	760907762	YNZHMITYUHUBLE-ZDUSSCGKSA-N	312.308	1.545	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCC(=O)N1)c1cnn(C(C)(C)C)c1C	863152826	GYKPJNRSCCUNMM-GFCCVEGCSA-N	305.382	1.065	50	20	DDGD	
COc1nccnc1NNC(=O)c1cccc(OC(C)C)n1	764464611	CPCUXIJLLBUCIL-UHFFFAOYSA-N	303.322	1.424	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@H]1CCN1C1CCCC1	862468163	SOLCPQFDEMXNOS-OAHLLOKOSA-N	319.380	1.533	50	20	DDGD	
CS(=O)(=O)CCCC(=O)NNc1ccc(F)c(Cl)c1	863080284	VNLLBUIOSOYUDE-UHFFFAOYSA-N	308.762	1.747	50	20	DDGD	
CC(C)C(=O)Nc1cc(C(=O)NN[C@@H](C)C(F)(F)F)ccn1	862320476	JRFNIFPGZDOLSY-QMMMGPOBSA-N	318.299	1.861	50	20	DDGD	
NC(=O)N1CCC[C@H]1C(=O)NNc1cccc(F)c1Cl	862510166	VOFXVWMAQVXFFN-VIFPVBQESA-N	300.721	1.465	50	20	DDGD	
CO[C@@H](C)C(C)=NNC(=O)c1nn(C)c(=O)c2ccccc12	763142760	ZNLPFRWLTPPGTD-JTQLQIEISA-N	302.334	1.074	50	20	DDGD	
Cc1cc(=NNC(=O)c2cnc([C@H]3CCCO3)s2)cc[nH]1	862514550	QHNWQDIXTFOLMS-LLVKDONJSA-N	304.375	1.877	50	20	DDGD	
O=C(NN=Cc1c(Cl)oc2ccccc12)C(=O)NC1CC1	761253277	KHPKIRVQALGMMG-UHFFFAOYSA-N	305.721	1.815	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)Cc2ccco2)c1	764524274	LBNBIQKGCPGKLP-UHFFFAOYSA-N	302.330	1.665	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)c1nc2ccccc2s1)C1CC1	874913306	BSZAAOBYTZICGW-LBPRGKRZSA-N	319.386	1.872	50	20	DDGD	
COCCOCC(=O)NN=C(C[C@@H]1CCOC1)c1ccccc1	872402385	ZIVICAUBUMCUNA-AWEZNQCLSA-N	320.389	1.597	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(C)[C@@H](CO)C(C)(C)C)c1	777710153	WOFSMMFSRZFFDY-AWEZNQCLSA-N	321.421	1.095	50	20	DDGD	
Cc1ncc(C(=O)NNc2nc3ccccc3c(=O)n2C)c(C)n1	777398993	FJFVCXBHVLQDIQ-UHFFFAOYSA-N	324.344	1.097	50	20	DDGD	
Cc1cccc(NNC(=O)NCC[C@@]2(O)C[C@H]3CC[C@H]2C3)n1	875614552	YDODURCWFUKUPE-HEHGZKQESA-N	304.394	1.957	50	20	DDGD	
CCC(=O)NNC(=O)Nc1c(Br)c(C)nn1C	879699644	ABJPIDJVIBPADI-UHFFFAOYSA-N	304.148	1.054	50	20	DDGD	
Cn1ncc(C(=O)NN=c2cc[nH]cc2)c1Cc1ccccc1	770697974	FGIBOPQSUACOAW-UHFFFAOYSA-N	307.357	1.585	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1c(F)cccc1SC	875574999	MADUOOABSJAMKB-UHFFFAOYSA-N	301.343	1.960	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1ccc(S(C)(=O)=O)o1	771688538	NJISLMIQOUYFLA-UHFFFAOYSA-N	312.322	1.888	50	20	DDGD	
C[C@@H](C1CC1)n1cc(NC(=O)NNC(=O)C2CCOCC2)cn1	879297949	XPKKOXHRSZCSQN-JTQLQIEISA-N	321.381	1.433	50	20	DDGD	
C[C@H](O)c1ncc(C=NNC(=O)c2ccc(C#N)cc2)s1	773055899	SRDNTTPQSBVGSI-VIFPVBQESA-N	300.343	1.832	50	20	DDGD	
O=C(NNc1ccc(F)cn1)[C@H]1COCCN1C1CCCC1	874649573	SYJWAXRVBYIECI-CYBMUJFWSA-N	308.357	1.307	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)Nc1ccon1	770631666	QUMMUPZIBSOTPM-MRVPVSSYSA-N	324.724	1.948	50	20	DDGD	
C[C@H](O)c1ncc(C(=O)NNC(=O)c2ccccc2F)s1	773707715	FUHTXUOVMWDKCP-ZETCQYMHSA-N	309.322	1.410	50	20	DDGD	
CCSc1ccc(C(C)=NNC(=O)NCC(=O)OC)cc1	779816871	GRWQYAORLAICMS-UHFFFAOYSA-N	309.391	1.995	50	20	DDGD	
O=C(CNc1ccccc1Cl)NNC(=O)C1CCOCC1	883064918	SUNRNBUCJSFFMA-UHFFFAOYSA-N	311.769	1.326	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NNc1ccnc(Br)c1	771547041	LQHMROPKNLYZPR-IUCAKERBSA-N	300.156	1.712	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ccc3c(c2)OCO3)n1	779373398	KXHBSBZZEGKNQB-UHFFFAOYSA-N	307.697	1.198	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1C[C@@H](c2ccccc2)OC1=O	887148926	BYVNQJDKXSAGAC-KBPBESRZSA-N	314.341	1.242	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2cncc(Cl)n2)cc1	783266114	OISYQVBVHIKIRL-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCOc2c(F)ccc(F)c21	783808337	RTCRDDACPPFCQW-UHFFFAOYSA-N	323.299	1.190	50	20	DDGD	
O=C(NC[C@H]1C[C@H]2C=C[C@H]1CC2)NNC(=O)C1CCOCC1	883695752	MSSIVONSEIEKQE-SGMGOOAPSA-N	307.394	1.346	50	20	DDGD	
Cn1nccc1COCC(=O)OC[C@@]1(C)C[C@@H]1Br	1123040551	UBJJULIEEZLAEN-CMPLNLGQSA-N	317.183	1.653	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cccc(C)c1NC(C)=O	887141698	FFQALZANJHDKNC-UHFFFAOYSA-N	301.346	1.518	50	20	DDGD	
Cn1nc(C(=O)NNc2ccnc(F)c2)c2ccccc2c1=O	781363726	ZAWRWQQEVPYMNA-UHFFFAOYSA-N	313.292	1.225	50	20	DDGD	
COCc1ncsc1C(=O)NNc1cccc([N+](=O)[O-])c1	786414247	VZICJNMUGZMRNU-UHFFFAOYSA-N	308.319	1.955	50	20	DDGD	
CC(C)[C@@H](O)C(C)(C)CNS(=O)(=O)CBr	782473986	ZWQRIRNRFUKRBU-MRVPVSSYSA-N	302.234	1.301	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc3nn[nH]c3cc2F)o1	781946516	VFZWAICZBCXMAE-UHFFFAOYSA-N	303.253	1.073	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cccc(OC)c2)nc1	782145653	LTSKGMKCFLMQFO-UHFFFAOYSA-N	316.317	1.181	50	20	DDGD	
COc1cc(F)ccc1NC(=O)C(=O)NNc1cc(C)ncn1	783948230	UOHVSILKJUSCAF-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2cnc([C@H]3CCCO3)s2)CC1	790175328	ZBGGYJUXEWOQNX-GFCCVEGCSA-N	323.422	1.286	50	20	DDGD	
O=C(NNc1ccccc1Cl)C(=O)Nc1cccc(F)n1	793018896	XVDZTYQHLKAELP-UHFFFAOYSA-N	308.700	1.956	50	20	DDGD	
COc1c(C(=O)NNC(=O)c2cccn2C)cccc1[N+](=O)[O-]	792851092	ABGLSOZBDCVPDR-UHFFFAOYSA-N	318.289	1.017	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@@H](O)CCc1ccccc1	791253763	WUUHMHXXBCZXOK-ZDUSSCGKSA-N	311.345	1.166	50	20	DDGD	
C[C@H](Oc1ccc(C=NNC(=O)c2cnccn2)cc1)C(=O)O	794888481	ODHZFNCYAYZPGF-JTQLQIEISA-N	314.301	1.092	50	20	DDGD	
CC(=NNC(=O)c1c[nH]nc1C)c1cccc(N2CCC2=O)c1	794909372	RHBBNSFFHKRELT-UHFFFAOYSA-N	311.345	1.609	50	20	DDGD	
Cc1oc(C#N)cc1C(=O)NNC(=O)c1ccc(Cl)nc1	797831908	HSQHZJDWPXKHCV-UHFFFAOYSA-N	304.693	1.583	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)NOCC(F)F	793169780	YWEJFICXGAZLIR-UHFFFAOYSA-N	317.336	1.730	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)c2cccn2C)[C@@H](n2cncn2)C1	794489279	ZYRGECQEGKTHKK-FZMZJTMJSA-N	300.366	1.764	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCC2(C)CC2)cc1OC	792199144	IEDHZMKFYFBRIO-UHFFFAOYSA-N	321.377	1.838	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)Cc1cc(C(C)(C)C)on1	795282152	AZWYTHZVWVMAIM-UHFFFAOYSA-N	303.384	1.079	50	20	DDGD	
Cc1ccc([C@@H](O)[C@@H](C)NS(=O)(=O)CBr)cc1	796105846	ROWBJMDNKZZTDS-KOLCDFICSA-N	322.224	1.689	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)NCCCc1ccccc1	791222867	SNLUJLJIMDVSLT-UHFFFAOYSA-N	312.373	1.582	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1CCCC12CCOCC2	799873715	WBJQVSXMRQCHNU-AWEZNQCLSA-N	323.437	1.408	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1cn(C(C)(C)C)nn1	790150528	ZOHMGMXWHHJPJJ-CYBMUJFWSA-N	320.441	1.605	50	20	DDGD	
CCc1occc1C(=O)NNC(=O)COc1ccc(C#N)cc1	797608154	AWRNGMFVLCWFQG-UHFFFAOYSA-N	313.313	1.554	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1occ2c1CCC2	794785270	SKSVDGUSCFSQFB-UHFFFAOYSA-N	302.305	1.911	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C1CC[C@H](C)C[C@@H]1n1cncn1	794514763	NEHJBHOXYKZZFF-ZANVPECISA-N	301.354	1.457	50	20	DDGD	
Cc1cccnc1NNC(=O)CCOc1ccc(C(N)=O)cc1	791222330	GHVLTXGXMJASFY-UHFFFAOYSA-N	314.345	1.401	50	20	DDGD	
Cn1c(C(=O)NNc2cccc(F)c2[N+](=O)[O-])ccc1[N+](=O)[O-]	790587845	GNCNYDZYVHCJIE-UHFFFAOYSA-N	323.240	1.738	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)Nc2cncc(F)c2)c1	799235690	LDQGZOLDIJGFNL-UHFFFAOYSA-N	317.324	1.753	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)nn1C	1319971692	BDPZUUDYGDJWLE-UHFFFAOYSA-N	304.325	1.125	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNC(=O)c1ccccc1Cl	1318271559	YPJHUKXBFPCOFC-UHFFFAOYSA-N	313.741	1.236	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2ccccc2Cl)C(=O)OC1(C)C	1318220545	ALKPGUYWAQMGMQ-UHFFFAOYSA-N	322.748	1.753	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNc1nncc(N)c1Cl	1320803624	MXZVLNBDCOVLIE-HRDYMLBCSA-N	312.805	1.417	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc(OCC2CC2)nc1	1328014033	UJYLTLAKHPBOKQ-CYBMUJFWSA-N	319.361	1.201	50	20	DDGD	
COc1cc(OC2CC2)ccc1C(=O)NNc1ccn(C)n1	1327551773	UYLSIEIGJVOORR-UHFFFAOYSA-N	302.334	1.727	50	20	DDGD	
Cc1ccsc1CCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	1329239496	KWTBSQDLCVNSNR-MNOVXSKESA-N	311.407	1.354	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)C1(Oc2ccccc2)CC1	1329295056	CPFLNASUCQRYMU-UHFFFAOYSA-N	302.252	1.698	50	20	DDGD	
Cc1c(CNC(=O)NNC(=O)c2ccccc2Cl)cnn1C	1320244877	CWSORXPAZMIHHE-UHFFFAOYSA-N	321.768	1.526	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)c1ccccc1Cl)c1cnn(C)c1	1321187898	OCYXLDBMGVVWKB-LBPRGKRZSA-N	322.752	1.222	50	20	DDGD	
Cn1ccc(NNC(=O)[C@@H]2CCCCN2Cc2cccnc2)n1	1326194678	WRWHHJHGHMQPBB-AWEZNQCLSA-N	314.393	1.313	50	20	DDGD	
O=C1NCCCN1NS(=O)(=O)c1ccc(CCCl)cc1	1326220890	WKABOQYWJUAFAJ-UHFFFAOYSA-N	317.798	1.077	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCCN1CCC(O)CC1	1326721350	LIEVTQVPZHSNGS-KAMYIIQDSA-N	317.364	1.306	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1cnoc1C1CC1	1334436550	IQMJMAKALMBMIM-UHFFFAOYSA-N	303.293	1.695	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H]1CCCN1CC(C)C	1335771590	CEFXTIUIOINLOE-CQSZACIVSA-N	319.405	1.577	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccc(F)cc2C1)c1ccccn1	1336067980	SPVRWKZATMVKOM-LLVKDONJSA-N	315.304	1.233	50	20	DDGD	
CN(NC(=O)C(=O)Nc1cnn(C2CCC2)c1)c1ccccc1	1339784527	UQFCTRCCBLZFPP-UHFFFAOYSA-N	313.361	1.714	50	20	DDGD	
CCc1ccc(NC(=S)NNC(=O)Cc2cc(C)n[nH]2)cc1	17514229	UKCTUYFTISBDIM-UHFFFAOYSA-N	317.418	1.841	50	20	DDGD	
CCCN1CCC[C@@H](C(=O)NNc2nncc(N)c2Cl)C1	1332098378	ALZGGBNJJNASRD-SECBINFHSA-N	312.805	1.277	50	20	DDGD	
C[C@@H](O)c1cn(C2CN(C(=O)C3CCC(Cl)CC3)C2)nn1	1263773828	GPNDXDWDVVLUIA-KPPDAEKUSA-N	312.801	1.512	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)Cc1nc(C2CCOCC2)n[nH]1	1346984079	KXFOVRWGGARPRG-UHFFFAOYSA-N	321.208	1.503	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2ccc(Cl)nc2)n1	1340445320	LJVUOOMIVBLMJQ-UHFFFAOYSA-N	305.725	1.247	50	20	DDGD	
Nc1cnnc(NNC(=O)N[C@@H]2CCC[C@H](F)C2)c1Cl	1345742961	VTVAAVPTICZNGZ-NKWVEPMBSA-N	302.741	1.619	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@]2(F)CCOC2)c(C)c1	1352105118	GQNTUDZKYMIOFY-CQSZACIVSA-N	311.382	1.750	50	20	DDGD	
O=C(O)Cc1cccc(C(=O)NNC(=O)CC(F)(F)F)c1	1602135285	SRPIBKVNEXJSGE-UHFFFAOYSA-N	304.224	1.027	50	20	DDGD	
N#CCCCC(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1609494964	QFHTXPZKKFKRPR-UHFFFAOYSA-N	305.729	1.657	50	20	DDGD	
CN(C)c1cc(C(=O)NNc2cccc(C(=O)O)c2F)ccn1	1606047743	ZTWWGVDUVJCRQP-UHFFFAOYSA-N	318.308	1.742	50	20	DDGD	
Cc1c(NNC(=O)[C@H]2CCc3nc[nH]c3C2)cccc1C(=O)O	1607553305	PSUHNAHRTXPHGO-JTQLQIEISA-N	314.345	1.665	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@H]2CC[C@H]2C(=O)O)cc1	1600485107	VWRBGGRMRYCSED-NWDGAFQWSA-N	322.386	1.345	50	20	DDGD	
O=C(C[C@@H]1CCCC[C@H]1O)NNc1cccc(F)c1C(=O)O	1601351854	CRKXJIHLUNBLDB-JOYOIKCWSA-N	310.325	1.908	50	20	DDGD	
N#CC1(CNC(=O)NNc2cccc(C(=O)O)c2F)CCC1	1601056560	OLNVFGWQBRCUNS-UHFFFAOYSA-N	306.297	1.844	50	20	DDGD	
COc1cccnc1CC(=O)NNc1cccc(C(=O)O)c1F	1607347679	BQSUFWNPWCNYJG-UHFFFAOYSA-N	319.292	1.613	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2ccc(C(=O)O)cc2OC)CC1	1605515980	VJWLWVOSXQWXDE-UHFFFAOYSA-N	322.317	1.180	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)cc1	1606481096	QVKDJHGYGGXIQS-NEPJUHHUSA-N	320.345	1.346	50	20	DDGD	
Cn1nccc1CCC(=O)NNc1cccc(F)c1C(=O)O	1601035835	UWZVQBUKACTWLH-UHFFFAOYSA-N	306.297	1.333	50	20	DDGD	
Cc1coc(CC(=O)O)c1C(=O)NNc1cccc([N+](=O)[O-])c1	1607921368	VAMWMCQNJBCGJZ-UHFFFAOYSA-N	319.273	1.880	50	20	DDGD	
C[C@@H]1CCN(CCCI)[C@H](C(=O)O)C1	1604752281	QKYDDLSLSYGJAX-BDAKNGLRSA-N	311.163	1.997	50	20	DDGD	
Cc1noc2ncc(C(=O)NNc3ncccc3C(=O)O)cc12	1605449649	JLUFERPGVUOJKS-UHFFFAOYSA-N	313.273	1.381	50	20	DDGD	
NC(=O)[C@H]1CCC[C@@H](C(=O)NNc2ccc(C(=O)O)c(F)c2)C1	1601143850	BTWYCAIVCCEAQD-DTWKUNHWSA-N	323.324	1.259	50	20	DDGD	
CCC(C=NNC(=O)COc1ccccc1-c1nn[nH]n1)CC	1604014142	RFZAZWORUUSROB-UHFFFAOYSA-N	316.365	1.784	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(F)F)C2	1800069303	CRHINRDSRGRVNH-UTINFBMNSA-N	308.756	1.907	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)c1snnc1C1CC1	1610852096	DTENOQJNOCJGNR-UHFFFAOYSA-N	304.331	1.871	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2cccc(C(=O)O)c2)[C@H]1OC	1610028811	GAMHNCDRWCJGQV-JHJVBQTASA-N	323.349	1.203	50	20	DDGD	
CC(Cc1ccc(O)cc1)=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549320129	KTZPDLLNAACTNI-HOCLYGCPSA-N	317.389	1.290	50	20	DDGD	
COC1(c2nccn2C)CCN(C(=O)C2CC(Cl)C2)CC1	1548813704	FFCLHQJLFXZLGS-UHFFFAOYSA-N	311.813	1.902	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@H]1C=NNC(=O)c1cc[nH]n1	1552763462	UMDPAXPMYSKZIR-JQWIXIFHSA-N	302.338	1.120	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)Cc2cccc3ccccc23)CCNC1	1573602121	SEXTWBSRDYODGU-GOSISDBHSA-N	311.385	1.529	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H]1C(=O)NNc1nc(C(F)(F)F)cs1	1574769190	KQPHIEPEIDLFHU-RFZPGFLSSA-N	309.269	1.716	50	20	DDGD	
Nc1ncc(CCC(=O)NNC(=O)NC2CCCCC2)s1	1580472676	URWXVLHGUFAFGQ-UHFFFAOYSA-N	311.411	1.321	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2cccn2C)o1	1589775244	GHOSJHMENCDLHS-UHFFFAOYSA-N	316.325	1.074	50	20	DDGD	
COC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](F)Cl	1847315279	SZUWBIQJQUGMPS-LPEHRKFASA-N	306.765	1.148	50	20	DDGD	
Cc1ncc(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)s1	1592408634	UEHVSWNHEINFGV-UHFFFAOYSA-N	313.346	1.396	50	20	DDGD	
O=C(O)c1cc(C(=O)NNc2cc(F)c(F)cc2F)[nH]n1	1594780447	QIMIYASODJVSSC-UHFFFAOYSA-N	300.196	1.282	50	20	DDGD	
CC1(C)C[C@](C)(NC(=O)NNc2cccc(C(=O)O)c2)C(=O)O1	1593849559	USRNPBGYVNEDKQ-HNNXBMFYSA-N	321.333	1.495	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)C(=O)c1ccccc1	1593162584	YTIITIADXOJCNY-UHFFFAOYSA-N	308.301	1.193	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2ccc(C(=O)O)n2C)CC1	1594418873	LBZBULRWJCYGRY-UHFFFAOYSA-N	320.393	1.295	50	20	DDGD	
CCCN1CC[C@@H](NC(=O)NNc2cccc(C(=O)O)c2)C1	1595906785	KMNSECVYCPZYFU-CYBMUJFWSA-N	306.366	1.495	50	20	DDGD	
CC(=NNC(=O)c1cnsn1)c1cc(C(=O)O)ccc1C	1776105030	LYDGIFOBAWGGQY-UHFFFAOYSA-N	304.331	1.699	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NNC(=O)c1ccccc1	17592452	PIOIIOAXRNLWQF-UHFFFAOYSA-N	308.341	1.806	50	20	DDGD	
CC(=O)NNC(=O)C(=O)N1CC(C)(C)c2c(Cl)cccc21	161191189	XJKZPIZCKXYUKP-UHFFFAOYSA-N	309.753	1.132	50	20	DDGD	
CCCNC(=O)NNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12	160717953	RDJXCUIPQNUIED-UHFFFAOYSA-N	319.321	1.359	50	20	DDGD	
CSc1cnn(-c2ccccc2)c1NC(=O)NNC(C)=O	164013468	VYLYKCLJNGCGOX-UHFFFAOYSA-N	305.363	1.767	50	20	DDGD	
O=Cc1cccc(OCC(=O)NNc2cccc([N+](=O)[O-])c2)c1	151719848	KYPJYSONUYYZNQ-UHFFFAOYSA-N	315.285	1.929	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)c1cccc(F)n1	152811961	XMXUMSNMCSMEFF-UHFFFAOYSA-N	312.304	1.637	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)C=C1CCC(C)CC1	156114196	HXZZACWGVBRHIN-UHFFFAOYSA-N	309.410	1.575	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)COCc1ccccc1	154091709	WAGDDKASMGKPJP-UHFFFAOYSA-N	303.362	1.337	50	20	DDGD	
CC1(C)CN(C[C@H](CBr)C2CC2)C[C@H](CO)O1	859330786	JKGMNVQOMRQOMR-NWDGAFQWSA-N	306.244	1.879	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C(=O)NC(C)C)oc2c(F)cccc12	7436532	PDZQKQQYJQTCST-UHFFFAOYSA-N	321.308	1.166	50	20	DDGD	
CCN(CC)[C@@H](C(=O)NNC(=O)NC1CC1)c1ccccc1	67270183	GBHYWWIPTDWIGL-CQSZACIVSA-N	304.394	1.562	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1sccc1OC	105954654	ZKVNEYSUDHURKI-UHFFFAOYSA-N	320.370	1.769	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cccc(F)c1F	102238664	SYGAJZZFTWAXIW-UHFFFAOYSA-N	320.295	1.977	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c1	176710902	IGPSJJJHGSOAOO-GFCCVEGCSA-N	302.378	1.624	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)CCOc1ccccc1)C1CC1	171168951	JKSFYTIOBDUDAW-LLVKDONJSA-N	307.419	1.749	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccc(Cl)cc1O	103425250	INEMYEVIZBVTCK-UHFFFAOYSA-N	305.721	1.444	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2ccccc2F)c(O)c1	66784672	HHZQRLCMQNEOGM-UHFFFAOYSA-N	318.304	1.544	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1Cl	61224648	LJFHQCKQPSAAMT-UHFFFAOYSA-N	322.708	1.662	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1ccc(N(CC)CC)nc1	178957255	WCFMRFBGJATGCA-WYMLVPIESA-N	302.378	1.988	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1F	119129610	OJNJEHJEXIWKNA-UHFFFAOYSA-N	318.264	1.816	50	20	DDGD	
COC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)c2ccccc2)C1	174368152	ICTCLEXCUUIKNY-STQMWFEESA-N	304.346	1.427	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccc(Cl)nn2)c(C)n1	1342244324	FIDUMEDPLDWJPY-UHFFFAOYSA-N	320.740	1.224	50	20	DDGD	
CSc1nc(C(=O)NNC(=O)NCC2CC2)c2ccccn12	65191657	HZBDSDWDQYACBB-UHFFFAOYSA-N	319.390	1.410	50	20	DDGD	
CC(C)c1oncc1C(=O)NNC(=O)c1cccc(N(C)C)c1	1348443015	IPBYPAIZPLKSDV-UHFFFAOYSA-N	316.361	1.939	50	20	DDGD	
C[C@@H](OC[C@H]1CCCCO1)C(=O)NNc1nccnc1Cl	114894944	XDGGWPOUOQXYIO-NXEZZACHSA-N	314.773	1.547	50	20	DDGD	
Cc1ccc2c(c1)S[C@H](C(=O)NNC(=O)[C@H]1CCO[C@H]1C)C2	1349432114	DAHGMAIMJWZENY-JKOKRWQUSA-N	320.414	1.584	50	20	DDGD	
Cc1nnsc1C(=O)NNC(=O)c1ccc2ccccc2n1	171733058	DJXJNNXMQBULNX-UHFFFAOYSA-N	313.342	1.470	50	20	DDGD	
NC(=O)c1ccc(CNC(=O)NNc2ccccc2Cl)o1	176641995	AVYJKVNNADZVLW-UHFFFAOYSA-N	308.725	1.858	50	20	DDGD	
CNC(=O)NNC(=O)C1(c2cccc(Br)c2)CC1	65885698	WWDQJJSDNPRJHA-UHFFFAOYSA-N	312.167	1.441	50	20	DDGD	
C=CCNC(=S)NNC(=O)CSc1ccc(F)c(F)c1	61480108	WJIGTKZQJKUHLP-UHFFFAOYSA-N	317.386	1.738	50	20	DDGD	
CN(C)C(=O)CCCNC(=O)NNc1cc(F)c(F)c(F)c1	175378470	GCDHIDASTXYYTK-UHFFFAOYSA-N	318.299	1.598	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)C(C)(C)C)cc1C(=O)N(C)C	179896096	LZYIDRJXXXYHOW-UHFFFAOYSA-N	320.393	1.896	50	20	DDGD	
CCNC(=O)NNC(=O)CCCOc1ccccc1OCC	65190798	ZVFASTCRKLUVDZ-UHFFFAOYSA-N	309.366	1.595	50	20	DDGD	
O=C(NNC(=O)c1ccc(Br)s1)c1ccon1	128450586	CMPRPHHSQNNWOZ-UHFFFAOYSA-N	316.136	1.573	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)CN1	125448356	RHJTXJGRUHRRIS-ZETCQYMHSA-N	312.713	1.218	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)c2cncc(F)c2)c1	127288115	RBMUTYGBPWTWHL-UHFFFAOYSA-N	314.345	1.833	50	20	DDGD	
CCN(CC)S(=O)(=O)CC(=O)NNc1cccc(Cl)c1	72861878	OULUIUQHOJLEOH-UHFFFAOYSA-N	319.814	1.455	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)N[C@H]1CCCOCC1	181812373	NYLLVIJOIFQWLX-LBPRGKRZSA-N	309.341	1.268	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCc1c[nH]c2c(C)cccc12	74508314	BXBHVJFJUHKRPT-UHFFFAOYSA-N	318.377	1.386	50	20	DDGD	
CC(C)(C)OCC(=O)NNc1cccc(S(C)(=O)=O)c1	182681853	KOLJNQUFWJLUSF-UHFFFAOYSA-N	300.380	1.348	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C1=CCCCO1	72798296	YKYJZMWTYPVCKS-JTQLQIEISA-N	308.309	1.435	50	20	DDGD	
COc1ccc(NNC(=O)CN2CCCCCCC2=O)nc1	187476013	WCBWWOVOMBGZSN-UHFFFAOYSA-N	306.366	1.326	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cnn(-c2ccc(F)cc2)n1	122603526	DTBSGFVDKOOERF-UHFFFAOYSA-N	317.259	1.092	50	20	DDGD	
C[C@H]1CCCN(CCNC(=O)NNc2cncc(Cl)n2)C1	127089998	HFFKUGFOBHZEQG-JTQLQIEISA-N	312.805	1.488	50	20	DDGD	
CC(C)n1cc(Br)cc1C(=O)NN(C)C(N)=O	181058099	KVNXNVSOQSJXMU-UHFFFAOYSA-N	303.160	1.487	50	20	DDGD	
CN(NC(=O)c1ccccc1C(=O)c1cccs1)C(N)=O	181069416	QVUNSAHJDLTZJV-UHFFFAOYSA-N	303.343	1.634	50	20	DDGD	
COc1ccc(COCCC(=O)NNC(=O)c2ccc[nH]2)cc1	134511206	MVPBYXVIWWVZPE-UHFFFAOYSA-N	317.345	1.391	50	20	DDGD	
CC1CCN(CC(=O)NNC(=O)c2ccc(Cl)nc2)CC1	134300908	JHXIFBMJDGHZJC-UHFFFAOYSA-N	310.785	1.228	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cn1)[C@]1(O)CCSC1	132315679	HVYFBCXAPNEUKM-JTQLQIEISA-N	307.297	1.412	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1occc1COc1ccccc1	194924359	JVNGVNAXXLIAEC-UHFFFAOYSA-N	303.318	1.775	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)C1=Cc2ccccc2OC1	86303752	OKHMMQNHRSYZHQ-UHFFFAOYSA-N	323.352	1.722	50	20	DDGD	
O=C(NNc1nc2ccccc2c(=O)[nH]1)c1cccc2cn[nH]c12	137144386	UKDNZAGCAZGCQT-UHFFFAOYSA-N	320.312	1.556	50	20	DDGD	
O=C(NNC(=O)[C@H]1CSCCS1)c1cccc(Cl)c1	193263059	VEPITRVLGMVPMF-SNVBAGLBSA-N	316.835	1.950	50	20	DDGD	
CCCCn1ncc(C(=O)NNc2nccnc2OC)c1C	131966881	BJNFRLPRRXGPOG-UHFFFAOYSA-N	304.354	1.547	50	20	DDGD	
COc1ccnc(NNC(=O)NCCCc2ccccc2)n1	42997798	KKLIOBNGNIOVLS-UHFFFAOYSA-N	301.350	1.744	50	20	DDGD	
CC(C)(C)OC(=O)CCC(=O)NNc1ccc(Cl)nn1	192944286	NQJRIUFEWSNIHM-UHFFFAOYSA-N	300.746	1.695	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H]1CCc2[nH]ncc2C1	194608011	MVFLUKMSFOVVFV-WEKMIXOTSA-N	308.341	1.696	50	20	DDGD	
O=C(NNC(=O)C1CCC(O)CC1)c1c[nH]c2ccccc12	194030037	VGRMBWGZVYJZAH-UHFFFAOYSA-N	301.346	1.480	50	20	DDGD	
O=C(CCc1ccncn1)NNC(=O)c1ccc2ccccc2n1	192304547	ICHSVSAOVINTLK-UHFFFAOYSA-N	321.340	1.419	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCSc1ccc(F)cc1	190068721	ZGEASCKVZAHBIF-UHFFFAOYSA-N	300.355	1.226	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCCOC1CCCC1	193788289	KGPCROHRUBINAG-UHFFFAOYSA-N	323.368	1.658	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cnn2ccncc12	193061233	NUUZVZMYPZLNDC-UHFFFAOYSA-N	314.257	1.865	50	20	DDGD	
CC[C@H](C)[C@@H](C)NC(=O)NNC(=O)COc1ccc(F)cc1	98120778	QSBKHOMMNFJZNE-WDEREUQCSA-N	311.357	1.970	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1CC1(Cl)Cl	98106046	ZKPZYCZQMPRFND-VIFPVBQESA-N	317.172	1.579	50	20	DDGD	
CCC(CC)(CN)C(=O)NNc1nc2ccccc2c(=O)n1C	236692747	OKMGZSBZKLIEJB-UHFFFAOYSA-N	317.393	1.142	50	20	DDGD	
Cn1cc(CC(=O)NN=c2sc3ccccc3n2C)cn1	255377822	ASEXNAUXTXUIQT-UHFFFAOYSA-N	301.375	1.148	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CCCc2cn[nH]c21	268840204	MQFFBCIRPPXXSP-CYBMUJFWSA-N	313.361	1.740	50	20	DDGD	
CC[C@H](CC(=O)NNc1nc(O)c2cnn(C)c2n1)C(C)C	269285886	CLEFNVKFZTUTMB-SECBINFHSA-N	306.370	1.584	50	20	DDGD	
COC(=O)N[C@@H](CC(C)C)C(=O)NNc1ccc([N+](=O)[O-])cc1	269011354	HDHOEMAPAWWFCI-LBPRGKRZSA-N	324.337	1.809	50	20	DDGD	
CSSCCNC(=O)N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1	367082316	ZNTDSZVHOQCPEA-GVXVVHGQSA-N	320.480	1.976	50	20	DDGD	
O=S(=O)(CBr)NCC[C@@H](O)c1ccccc1	272851051	VOSYMPWBCOVJHW-SNVBAGLBSA-N	308.197	1.382	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC[C@@H](n2cncn2)C1	364475887	HYQLNINTKCKYQV-ZJUUUORDSA-N	315.215	1.861	50	20	DDGD	
COc1cccc(OC)c1OC[C@H](O)CN1CC=C(C#N)CC1	270909993	CDLOGXZNYFIJJM-CQSZACIVSA-N	318.373	1.599	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N2CCOCC2)c(F)c1Cl	279057708	RXXCINSRDVURRO-UHFFFAOYSA-N	315.732	1.474	50	20	DDGD	
COC(=O)NNC(=O)CCc1ccc(OC)c(OC)c1OC	274306346	SEJARUHNBPRRKO-UHFFFAOYSA-N	312.322	1.032	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccc(O[C@H]2CCOC2)cc1	274119896	MTHJYLCBUREJEK-ZDUSSCGKSA-N	305.334	1.417	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@]12CCOC2)c1ccc(Cl)cc1F	372523120	PKJRAKVEXGNHIB-QMTHXVAHSA-N	312.728	1.667	50	20	DDGD	
CSSCCNC(=O)NC[C@H]1COC2(CCOCC2)O1	375135494	QCMYEJKLZGTABD-JTQLQIEISA-N	322.452	1.219	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C(=O)N2CCC(C)CC2)cc1	274617755	YRQSCUPANCSOQO-UHFFFAOYSA-N	317.389	1.269	50	20	DDGD	
O=C(C[C@H]1COCCN1)NNc1ccc(Cl)cc1[N+](=O)[O-]	285666259	KDPUGCSOINYZSF-VIFPVBQESA-N	314.729	1.070	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C	286003488	HOLNYJCVDUIPLZ-VIFPVBQESA-N	324.381	1.251	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccnc(Cl)c1F	295559601	MPLCWWYKQXXNHG-QMMMGPOBSA-N	301.705	1.204	50	20	DDGD	
CO[C@H]1COCC[C@@H]1CC(=O)NNC(=O)c1ccc(C)s1	294685014	YBBILKHGFLBCHR-MNOVXSKESA-N	312.391	1.259	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)/C=C/c2ccc(F)c(F)c2)O1	294282791	PWCGZGJUOQJTDF-PSRAIUGVSA-N	310.300	1.693	50	20	DDGD	
COc1ccc(OC)c([C@H]2C[C@H]2C(=O)NNc2ccncn2)c1	295436431	JYRQMSIMVWBUDA-DGCLKSJQSA-N	314.345	1.741	50	20	DDGD	
CCCOc1ccc(CCC(=O)NNC(=O)[C@@H]2CCCO2)cc1	292050528	BMNUJHGOYSXMLT-HNNXBMFYSA-N	320.389	1.734	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2ccc(C#N)cc2)ccn1	806667357	WCIPTZZUSNYJIN-UHFFFAOYSA-N	311.301	1.428	50	20	DDGD	
O=C(CSC1CC1)NNC(=O)Cn1cnc2ccccc21	294466999	UTIBUIILSKCDDR-UHFFFAOYSA-N	304.375	1.079	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)COc2ccc(F)cc2)O1	800315649	ZMYPGAJNJHGJMN-GPCCPHFNSA-N	310.325	1.165	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NNC(=O)N=c1cc[nH]cc1	802035994	PAJLZMRUVWKAKU-NWDGAFQWSA-N	316.386	1.830	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)c([N+](=O)[O-])c1	800334938	UZVAJWXHFLOMEH-VYUIOLGVSA-N	309.322	1.860	50	20	DDGD	
CCOC(=O)C[C@H](C)CNC(=O)NNc1cccc(Cl)n1	292923591	DNMTVMHLIWRCHB-VIFPVBQESA-N	314.773	1.950	50	20	DDGD	
CC[C@@H]1CN(C[C@@H](C)CBr)C[C@@H](C)S1(=O)=O	805772226	HERYDJGAOUQLTJ-HBNTYKKESA-N	312.273	1.915	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C	807403957	UJZDPMVXOXSFNV-IUODEOHRSA-N	322.409	1.045	50	20	DDGD	
Cn1cncc1C(=O)NNC(=O)CCSc1ccc(F)cc1	809553638	BOBCCMSHUIAMHH-UHFFFAOYSA-N	322.365	1.503	50	20	DDGD	
N#CCOc1cccc(CC(=O)NNc2ncccc2F)c1	804214363	VTTUAGWHEUAISW-UHFFFAOYSA-N	300.293	1.809	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)c1cccc(N(C)C)c1	811632539	SNRWCCWBPRXYHN-ZDUSSCGKSA-N	302.378	1.527	50	20	DDGD	
O=C(Cc1cccnc1)NN=C1COc2cc(F)cc(F)c21	814837575	BJSALNMSDCSRPQ-UHFFFAOYSA-N	303.268	1.815	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)c1cnn2c1OCCC2	815856203	APPTVTIFRZINSE-UHFFFAOYSA-N	312.251	1.840	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2c(C)nn(C)c2N)cc1	814712196	MMOLYVKNONUOHU-UHFFFAOYSA-N	300.366	1.181	50	20	DDGD	
CC(C)[C@@H](C(=O)NN(C)C1CC1)n1nnc(-c2ccccc2)n1	819646132	KTMKYKMSFRVSLD-AWEZNQCLSA-N	314.393	1.663	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cc(-c2nn[nH]n2)cs1	819906019	AIYHPANBJKMXDO-UHFFFAOYSA-N	308.367	1.125	50	20	DDGD	
CS(=O)(=O)CCNCc1ccc(OCCCCl)cc1	811475827	LJDGBFGHJNOEPP-UHFFFAOYSA-N	305.827	1.829	50	20	DDGD	
COc1ccc(CCC(=O)NN=Cc2cn(C)nc2O)cc1	814220177	UHGNDBCZAZINNF-UHFFFAOYSA-N	302.334	1.217	50	20	DDGD	
Cc1ccc(C)c(C(=O)CCC(=O)NNc2cnnn2C)c1	816769970	FGDJNMJPTLBIME-UHFFFAOYSA-N	301.350	1.538	50	20	DDGD	
C[C@@H]1C(=NNC(=O)N2CCOCC2)CCN1Cc1ccccc1	811640608	WBEKYMIRZUECJT-CQSZACIVSA-N	316.405	1.679	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCO[C@H](c2ccccc2)O1)c1ccc[nH]1	816824089	OTYGYILOMUPBBZ-CJNGLKHVSA-N	315.329	1.280	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C(C)c2cc(OC)no2)c1	814738022	PJESBZSOUUVKFX-UHFFFAOYSA-N	319.317	1.854	50	20	DDGD	
COc1ncccc1NC(=O)C(=O)NNc1cccc(Cl)n1	815725913	GMHKQRWAXXQADU-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
CCCC(=NNC(=O)Cc1cc(O)nc(O)n1)c1ccccn1	814861087	YZHJLYBTQPMTND-UHFFFAOYSA-N	315.333	1.146	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cc(F)ccc2Cl)n1	814248056	JOBHWFYHZXBKHU-UHFFFAOYSA-N	324.743	1.754	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1nc2c(s1)CCC2	814854053	CBZUKTCCUXZAHA-UHFFFAOYSA-N	308.407	1.387	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCCc2ccccc2)c1	728942408	UAWXQMGJLQUPDW-UHFFFAOYSA-N	308.341	1.745	50	20	DDGD	
O=C(COc1cc(F)cc(F)c1)NNc1ccc(Cl)nn1	810419960	VWKLLFUAHMTHJA-UHFFFAOYSA-N	314.679	1.930	50	20	DDGD	
CN(C)CCCCC(=O)NNc1nc(-c2ccncc2)no1	729530269	BCDNYIKCEYVDQT-UHFFFAOYSA-N	304.354	1.307	50	20	DDGD	
CCNC(=O)CCCC(=O)NNC(=O)c1cc2c(s1)CCC2	729511698	QJLKDGDPMPSHFW-UHFFFAOYSA-N	323.418	1.304	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc(C2CC2)nc1O)C1CC1	824446576	NGFIYDZJCMGQGH-QMMMGPOBSA-N	320.418	1.572	50	20	DDGD	
CC(C)C[C@@H](NC(=O)O)C(=O)NN=c1cc[nH]cc1Cl	824210199	CSJWHILKHQIJHL-SNVBAGLBSA-N	300.746	1.282	50	20	DDGD	
CCOC(=O)NNC(=O)C1(c2cccc(Cl)c2)CC(=O)C1	496538730	ISOQCPPMCGSHLT-UHFFFAOYSA-N	310.737	1.718	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN(c2ccccc2)C1)NC1CCCC1	822834023	NPAOQQPSYDJGTL-ZDUSSCGKSA-N	316.405	1.786	50	20	DDGD	
Cc1noc([C@H](C)NC(=O)NNC(=O)c2ccccc2F)n1	726278709	JSUITSMLHBDITE-ZETCQYMHSA-N	307.285	1.222	50	20	DDGD	
Cc1cn2ccc(NC(=O)NNC(=O)[C@@H]3CCO[C@H]3C)cc2n1	825928088	MJFSWAXJZHAAMN-CMPLNLGQSA-N	317.349	1.220	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2cccc(F)c2C(=O)OC)n1	822732270	VRXGJWRNNNEESV-UHFFFAOYSA-N	321.312	1.289	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cn(C)nc1-c1ccccc1OC	495825046	LMZWKLAFNYDJMY-UHFFFAOYSA-N	318.333	1.439	50	20	DDGD	
O=C(/C=C/c1cccnc1)NNc1cccc(-c2nn[nH]n2)c1	826403662	YPZAYLGGIKZCII-VOTSOKGWSA-N	307.317	1.418	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccccc1C(F)F	824527130	KCHNBSBOXZJHBW-MRVPVSSYSA-N	313.304	1.756	50	20	DDGD	
C/C=C/C[C@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)OCC	491173910	FWCMVHHQQAVKAA-GRQSFRJCSA-N	316.361	1.341	50	20	DDGD	
CCCCS(=O)(=O)CC(=O)NNc1ccc(C)c(F)c1	826541128	LGYXTZYENRKZHO-UHFFFAOYSA-N	302.371	1.792	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cc(-c3ccco3)on2)c1	728871998	IONLRULZOLGZTP-UHFFFAOYSA-N	322.280	1.881	50	20	DDGD	
O=C(c1cc(Cl)nc2ccccc12)N1CC[C@H](B(O)O)C1	585079257	WAZIANWHIFOABR-VIFPVBQESA-N	304.542	1.577	50	20	DDGD	
Cc1ccc(F)c(CC(=O)NNC(=O)Cn2nc(C)cc2C)c1	822208784	IBVCWBVGEWTGPE-UHFFFAOYSA-N	318.352	1.338	50	20	DDGD	
CC(C)CC[C@@H]1CCCC1=NNC(=O)[C@@H](C)NS(C)(=O)=O	728434149	VAUITOBZDKBPJJ-NEPJUHHUSA-N	317.455	1.633	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(-c2ccc(F)cc2)n(C)n1	823377661	WPNRTEUWTQTQJF-UHFFFAOYSA-N	306.341	1.185	50	20	DDGD	
CN(CCCC(=O)NNC(=O)CC1CC1)C(=O)OC(C)(C)C	496314749	USCWFEBFKRRONA-UHFFFAOYSA-N	313.398	1.581	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCCC[C@H]1c1ccco1	584952577	VHYMEHOWZINQEF-AWEZNQCLSA-N	317.125	1.466	50	20	DDGD	
O=C(NNc1ccccn1)C1CCC(N2CCOCC2)CC1	901337952	DGLZIANIUDTZHQ-UHFFFAOYSA-N	304.394	1.416	50	20	DDGD	
COc1cccc(C(C)(C)CNCc2ccccc2B(O)O)c1	585029015	AXUZTPHJKZIPBE-UHFFFAOYSA-N	313.206	1.442	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N(CCC(F)(F)F)CC1CC1	584960095	GYGVHADQQYYICG-UHFFFAOYSA-N	315.100	1.171	50	20	DDGD	
C[C@H]1C[C@H](C)CN(CCCCNCc2ccc(B(O)O)cc2)C1	585015535	DXSYVRGJADDVHO-HOTGVXAUSA-N	318.270	1.214	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc2n[nH]cc2c1	826446961	HFRKSKVCKYVWPR-UHFFFAOYSA-N	320.316	1.500	50	20	DDGD	
CC[C@H](C)Oc1cc(C)ccc1CNCc1ccc(B(O)O)o1	585031068	PUDKJLLYDMXIEF-ZDUSSCGKSA-N	317.194	1.735	50	20	DDGD	
O=C(CCCc1ccccn1)NNc1cccc(-c2nn[nH]n2)c1	826407071	ZSQMCCHZUHVCOK-UHFFFAOYSA-N	323.360	1.728	50	20	DDGD	
CCn1cc(C=NNC(=O)Nc2ccc(N(C)C)cc2)nn1	901196815	SWNGFRILOLBYFF-UHFFFAOYSA-N	301.354	1.520	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc(F)c(Cl)c1	823473238	AZZZDAIKOMUJQT-XPUUQOCRSA-N	301.705	1.060	50	20	DDGD	
C[C@@H](NCc1ccc(B(O)O)cc1)[C@@H]1CCCN(C2CCC2)C1	585033953	DEQAETZQITZNDY-GDBMZVCRSA-N	316.254	1.109	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)CSc1ccc(C)cc1	732527662	DZKCWCBOTGRJHO-UHFFFAOYSA-N	314.432	1.624	50	20	DDGD	
C[C@H](O)CN(CC(F)F)C(=O)[C@]1(C)C[C@@H]1Br	909260794	AVOWMSBQORMCMA-MHYGZLNHSA-N	300.143	1.634	50	20	DDGD	
O=C(N[C@@H]1CCC[C@H]2CCCC[C@H]21)c1ccc(B(O)O)cc1	584992769	NTPDMGWCZUZTAR-DAXOMENPSA-N	301.195	1.455	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNc1cccc(Br)n1	837212900	VYUIAAZOXZTMOF-YUMQZZPRSA-N	300.156	1.712	50	20	DDGD	
CO[C@H]1COCC[C@@H]1CNC(=O)NNc1cc(Cl)ccn1	836575883	SXNLXWIWIHGGPT-KOLCDFICSA-N	314.773	1.413	50	20	DDGD	
CCOC1(C(=O)NNc2cccc([N+](=O)[O-])c2)CCOCC1	830762316	LXFSGZUCXRSZFQ-UHFFFAOYSA-N	309.322	1.624	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNc1cccc(Br)n1	837212614	LUSNXCOKCHYYCS-LLVKDONJSA-N	300.156	1.614	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)c1cc(Cl)cc(C(=O)O)c1	736347320	TZZRQENGSGDUGK-UHFFFAOYSA-N	320.754	1.004	50	20	DDGD	
COC(=O)c1ccc(/C=C(\C#N)S(=O)(=O)NC2CC2)c(F)c1	901496126	RSDNAFATYUYBDI-WUXMJOGZSA-N	324.333	1.559	50	20	DDGD	
CC[C@H](C)[C@H](NNC(=O)COc1ccc(F)cc1)C(=O)OC	905748702	YENNXNMQOQRMPK-HZMBPMFUSA-N	312.341	1.413	50	20	DDGD	
Cc1cccc(OCCNC(=O)NNC(=O)[C@H]2CCCCO2)c1	836197428	POAUZDJZUWZGDM-CQSZACIVSA-N	321.377	1.273	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCCO1)c1ccccc1-n1ccnn1	834986151	MTMREBBDZXFODU-OAHLLOKOSA-N	313.361	1.677	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)N1CC[C@H](B(O)O)C1	585073967	GXCWJCCNLRQABR-WDEREUQCSA-N	303.258	1.776	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)cc1Cl	833243638	VQWPKNHOWBXFKC-GFCCVEGCSA-N	307.737	1.542	50	20	DDGD	
COc1ccc(C(=O)NNc2nc[nH]n2)c(OCC2CC2)c1	839770387	UXSYYLHBHOSTSA-UHFFFAOYSA-N	303.322	1.359	50	20	DDGD	
CCCCNC(=O)NNC(=S)Nc1ccc2c(c1)OCO2	735237807	IIGPWFHJEPMZQQ-UHFFFAOYSA-N	310.379	1.716	50	20	DDGD	
Cn1c(C2CC2)nc2cc(NCc3ccc(B(O)O)cc3)ccc21	585033676	IZQJJPNWXAMUKX-UHFFFAOYSA-N	321.189	1.743	50	20	DDGD	
CCN1C[C@@H](NC(=O)NNc2cc(F)c(F)cc2F)CC1=O	838672606	FNJUUUQJYHIXAF-ZETCQYMHSA-N	316.283	1.351	50	20	DDGD	
C=CC[C@@H](CC(F)(F)F)NC(=O)c1cc(B(O)O)ccc1F	585001596	YCYALYYNGYTAHE-VIFPVBQESA-N	319.063	1.132	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CC2CCC1CC2	830190018	HHPLJLFUGWTHOO-WXRRBKDZSA-N	312.410	1.749	50	20	DDGD	
Cc1cc(NNC(=O)c2c[nH]nc2-c2cccnc2)nc(C)n1	736718484	HVCBAEGXOYULLB-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
O=C(NNC(=O)N[C@@H]1CC=CCC1)Nc1ccc2c(c1)OCO2	838480353	FFWHCAGWLWQZOH-SNVBAGLBSA-N	318.333	1.860	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1NC(=O)NNC(=O)COc1ccccc1O	838761631	UZXOVWDYMJOXON-WDEREUQCSA-N	307.350	1.146	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)COc2ccccc2OC)n1	834923100	XNQYCDCMXHSDTM-UHFFFAOYSA-N	317.349	1.144	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)C[C@@H](c1ccccc1)c1ncc[nH]1	910156810	MMTRAFKAXSTUON-OCCSQVGLSA-N	302.378	1.276	50	20	DDGD	
COC(=O)c1ccc(S(=O)(=O)NCCCSC#N)cc1	916964678	OVUNBSBSQUTAJA-UHFFFAOYSA-N	314.388	1.356	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)[C@@H]2CCCCO2)n(C)c1C	834987501	YIRIXYKYMFDIJA-ZDUSSCGKSA-N	307.350	1.139	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(C)c1	831417537	VIGSFPKCWCLBAK-PWSUYJOCSA-N	307.350	1.581	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cccc3ccccc23)nnn1C	741572549	ADDZWMDHVSPIBU-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
Cc1cc(NNC(=O)CCCOc2cccnc2)nc(C)n1	743462401	WYTQFQDARQXCSM-UHFFFAOYSA-N	301.350	1.791	50	20	DDGD	
C/C(=C\c1ccc(C)cc1)C(=O)NNC(=O)CN1CCCC1=O	913732481	YDCXPRNNWFGHGY-JLHYYAGUSA-N	315.373	1.168	50	20	DDGD	
Cc1cc2ncc(C(=O)NNC(=S)NC(C)(C)C)c(C)n2n1	913901401	XJHBAGJKFHMZMW-UHFFFAOYSA-N	320.422	1.254	50	20	DDGD	
C[C@@H]1Cc2ccccc2N(CC(=O)NNC(=O)C(C)(C)C)C1	744398237	CWGGHDLPNZMWCW-GFCCVEGCSA-N	303.406	1.879	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)[C@@H]1CCCS(=O)(=O)C1	846210686	BKYBLHGLIPKXNI-MRVPVSSYSA-N	303.771	1.003	50	20	DDGD	
O=C(CC[C@@H]1CCNC1)NNc1ncc(Br)cn1	848436305	MNSAPYZRSIFLGS-MRVPVSSYSA-N	314.187	1.072	50	20	DDGD	
CCOC(=O)Cn1ccc(NS(=O)(=O)CCCCCl)n1	848456978	QZCMGIQGCQGYRF-UHFFFAOYSA-N	323.802	1.207	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)CC(C)(C)C	917625350	OYODUFLUEFMLCH-MNOVXSKESA-N	318.439	1.031	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H](Br)C(C)(C)C	843979516	OTEIKYWCBATCTQ-XHNCKOQMSA-N	321.215	1.368	50	20	DDGD	
COCCn1cc(C(=O)NN(C)C[C@@H](C)O)c2ccccc21	910167204	DRKRXJGBECATPZ-GFCCVEGCSA-N	305.378	1.245	50	20	DDGD	
O=C(O)CCCCC(=O)NNc1ncc(Br)cn1	848453792	CWIFXYYCYQWAQV-UHFFFAOYSA-N	317.143	1.327	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)N1CCCCC1	843973153	JZSSWQNCHCZXLT-BFHYXJOUSA-N	311.426	1.069	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1noc2ccc(OC)cc12	841382473	BEBWGOHXCUZXEM-UHFFFAOYSA-N	320.349	1.509	50	20	DDGD	
COC(=O)c1cccc(NC(=O)NNC(=O)CC2CC2)c1OC	844775106	PUVXJXOFWZFHBZ-UHFFFAOYSA-N	321.333	1.435	50	20	DDGD	
CS(=O)(=O)c1ccc(C=NNC(=O)c2ccccc2O)cc1	918153918	UESDDTNZBMONAO-UHFFFAOYSA-N	318.354	1.560	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NNc1cc(Cl)nc(C)n1	841470803	GFXXVFRMWCWHPU-QMMMGPOBSA-N	314.777	1.109	50	20	DDGD	
Cc1oc2ncnc(O)c2c1C(=O)NNC(=O)C1CCCC1	914849376	ZDTYSFHSYDSGJG-UHFFFAOYSA-N	304.306	1.188	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCOc2ccc(F)cc21	748256729	CGODJENHVHBILK-JTQLQIEISA-N	310.325	1.480	50	20	DDGD	
CCCCn1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(C)n1	843970549	HUKBPUZRJXEUKO-VXGBXAGGSA-N	308.382	1.178	50	20	DDGD	
CCCCNC(=O)NNC(=O)CN(C)c1ccccc1[N+](=O)[O-]	742585504	KSRGXJIKLPRACF-UHFFFAOYSA-N	323.353	1.162	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)NCCc2cccs2)[nH]1	747630799	TXRVFEQURFWWEW-UHFFFAOYSA-N	320.374	1.739	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@H](C)NC(=O)NNC(=O)c1ccccc1F	840420355	ZSGSDINRFHYELJ-MGPLVRAMSA-N	323.368	1.973	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2ccc([N+](=O)[O-])c(O)c2)n[nH]1	748133753	PIUZOVOIDMUEOD-UHFFFAOYSA-N	303.278	1.025	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1cn2ccccc2n1	749803906	KFPVFQRLAKEEKX-UHFFFAOYSA-N	308.341	1.728	50	20	DDGD	
COc1ccnc(NNC(=O)Cc2ccc3c(c2)CCCO3)n1	843763841	GVDXWZDRHLPGLT-UHFFFAOYSA-N	314.345	1.496	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)COc2ccccc2O)o1	749381367	IALOIZUZKBHSDT-UHFFFAOYSA-N	304.302	1.442	50	20	DDGD	
CCCNC(=O)NN=Cc1ccccc1N1CCO[C@@H](C)C1	920988897	VUHOEZZTVWVHNA-ZDUSSCGKSA-N	304.394	1.955	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)c2c(c1)C[C@@H](C)O2	842563154	WQCNQCJKXBZMST-UEKVPHQBSA-N	318.373	1.894	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)NCC(C)(C)N	841951279	UVVSWEHXBMFAGM-UHFFFAOYSA-N	314.773	1.030	50	20	DDGD	
CNCCCNC(=O)NNC(=O)Cc1ccc2ccccc2c1	841915016	LVNNJPLSCFVHLI-UHFFFAOYSA-N	314.389	1.322	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(-c2ccccc2)[nH]1	843652298	RVCARXDZELITMP-DGCLKSJQSA-N	313.357	1.868	50	20	DDGD	
C[C@@H](CCN)NC(=O)NNC(=O)c1c(Cl)cccc1Cl	841967651	PJIHJOQGTPZQPV-ZETCQYMHSA-N	319.192	1.675	50	20	DDGD	
Cc1ccc(SCC(=O)NNc2ccc(C(N)=O)nn2)cc1	757390087	AFWNNLPBYVZAFY-UHFFFAOYSA-N	317.374	1.119	50	20	DDGD	
Cn1cc([C@H](CO)NC(=O)/C(C#N)=C\c2ccc(F)cc2)cn1	752673983	NFMZQGQJNHFVNT-GIXCSOPHSA-N	314.320	1.316	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cn(C)c2ccccc12	755739334	KVJACUYAYOONLX-UHFFFAOYSA-N	314.389	1.933	50	20	DDGD	
O=C(NN=C1CCC(C(F)F)CC1)[C@@H]1CN2CCC[C@@H]2CO1	853390307	SQGXXLGFXMELDY-SOYIIFOFSA-N	315.364	1.777	50	20	DDGD	
O=C(NC[C@H]1C[C@H]2CC[C@H]1C2)NNC(=O)c1cccc(F)n1	852036493	YXZDPXQXRBJIOX-GARJFASQSA-N	306.341	1.601	50	20	DDGD	
CCCNC(=O)NN=Cc1cc(C(=O)OC)c2n1CCCC2	857206937	MPCAAEGGMVPKOQ-UHFFFAOYSA-N	306.366	1.654	50	20	DDGD	
C[C@H]1CCC[C@H](OCC(=O)NNC(=O)OCC(F)(F)F)C1	856023608	PSPNLBHJDVJNPJ-IUCAKERBSA-N	312.288	1.901	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)c2ncccn2)cc1C	852386105	ZRKJCYFPNSOAJN-UHFFFAOYSA-N	313.361	1.280	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NNC(=O)NCCc1cccs1	858089518	VQFCHOTUVPWLAD-LBPRGKRZSA-N	324.450	1.494	50	20	DDGD	
CN(C[C@@H]1COCCO1)/C(=C/C#N)c1ccc([N+](=O)[O-])cc1	852496441	QIZKVQTWUOTNGC-SMCAMXITSA-N	303.318	1.806	50	20	DDGD	
CO[C@H]1CN(C(=O)NC[C@@]2(C)C[C@@H]2Br)C[C@H]1OC	856956202	VODXPOJIUYXWJW-MIZYBKAJSA-N	321.215	1.215	50	20	DDGD	
C[C@@H]1C[C@@H]1C=NNC(=O)CCN1CCN(c2ccccc2)CC1	758358908	MODSALDBOOMFQJ-HZPDHXFCSA-N	314.433	1.957	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2cnn(C(C)C)c2N)o1	757925910	YVEPRGRWHMTTIA-UHFFFAOYSA-N	317.353	1.786	50	20	DDGD	
COc1cccc2c1OCC(C(=O)NNC(=O)CC(C)C)=C2	750717084	XTYUIKCCEMVEES-UHFFFAOYSA-N	304.346	1.665	50	20	DDGD	
C[C@@]1(CNc2cc(-n3cccn3)nc(N)n2)C[C@@H]1Br	856787899	SESOGVKHABCXSC-UFBFGSQYSA-N	323.198	1.830	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)CCc1c(F)cccc1F	859111984	YLEBHWWVHTYUIB-UHFFFAOYSA-N	321.349	1.003	50	20	DDGD	
CN(C)c1nccc(NNC(=O)CC2(C#N)CCCCC2)n1	857132650	MRTMLZNHTNLBOE-UHFFFAOYSA-N	302.382	1.850	50	20	DDGD	
CCOC(=O)NC1CCC(=NNC(=O)[C@H]2CCO[C@@H]2C)CC1	853368513	LLEOWECKQIHSGX-XEEJXUNPSA-N	311.382	1.572	50	20	DDGD	
CC[C@](COC)(NC[C@H](CBr)C1CC1)C(=O)OC	859328947	LDGNSZFQZWOGPA-WCQYABFASA-N	322.243	1.965	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=O)CC(F)(F)F)C1	857850948	CSYJDCVIIABNNQ-HTRCEHHLSA-N	304.272	1.175	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=Cc1cccc2[nH]ccc12	755773486	QAUZAEVOOJFALJ-UHFFFAOYSA-N	321.340	1.443	50	20	DDGD	
CCC(=NNC(=O)c1cc[nH]n1)c1ccc2c(c1)OCCO2	853392692	RFMOHBYZGKAHLQ-UHFFFAOYSA-N	300.318	1.725	50	20	DDGD	
CC[C@@H]1C[C@H](C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)CCO1	853389401	HQIJLVBKPUDARM-TUVASFSCSA-N	309.410	1.157	50	20	DDGD	
CC(C)CNC(=O)COC(=O)/C(C#N)=C/c1ccc(O)cc1	750664811	YBNNVVXLUDIJED-NTUHNPAUSA-N	302.330	1.615	50	20	DDGD	
CNS(=O)(=O)[C@@H]1CCCN(/C(=C\C#N)c2ccc(F)cc2)C1	750801305	LSOSJHYVVXKHTP-QVTJDRNWSA-N	323.393	1.704	50	20	DDGD	
CCn1nccc1C=NNC(=O)COc1ccccc1[N+](=O)[O-]	753689127	AYWWGTVQYXVNKS-UHFFFAOYSA-N	317.305	1.340	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccnc2)nc1Cl	766950729	ANVKKXKMWOUCCY-UHFFFAOYSA-N	306.709	1.213	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Cc1cc[nH]n1)C1CCC(C)CC1	764082371	MRGOPPBGRVMGOF-YIZWMMSDSA-N	306.410	1.952	50	20	DDGD	
CC1(C)C(=O)Nc2ccc(C(=O)NNC(=O)c3ccccc3)cc21	768920234	VDNVZULVQXUUDP-UHFFFAOYSA-N	323.352	1.991	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1cnc2nccnc2c1	760297058	QVLBKNMQOOHIMD-UHFFFAOYSA-N	301.697	1.225	50	20	DDGD	
OB(O)c1ccc(OCc2c(F)c(F)c(F)c(F)c2F)cc1	864048163	BVWMPQNFXCWMKP-UHFFFAOYSA-N	318.006	1.641	50	20	DDGD	
C[C@@H](NNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)C(F)(F)F	862317734	LWZRWQNYMKDYBL-BXKDBHETSA-N	310.279	1.812	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1ccccc1N1CCCC1	763820956	OSOXVMIVKWIOPJ-UHFFFAOYSA-N	318.377	1.029	50	20	DDGD	
COC1CC(C(=O)NNc2nnc(-c3ccccn3)s2)C1	861245518	WSNKOZIWCQNZTQ-UHFFFAOYSA-N	305.363	1.468	50	20	DDGD	
COc1nccnc1NNC(=O)c1cccc(Cn2ccnc2)c1	764482020	QSJRXEOEQHGECB-UHFFFAOYSA-N	324.344	1.487	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)/C(F)=C/C2CCCCC2)n[nH]1	869015205	GJTSVTYNZUYRRE-JYRVWZFOSA-N	308.357	1.842	50	20	DDGD	
COC1(C=NNC(=O)Cc2cn3ccccc3n2)CCOCC1	761809997	KYPDKNBTEXDLOH-UHFFFAOYSA-N	316.361	1.174	50	20	DDGD	
CCC[C@H]1C(=O)NCCN1C(=O)[C@@H](Br)C(C)(C)C	768367147	CZFCKRNIKXOFQK-VHSXEESVSA-N	319.243	1.923	50	20	DDGD	
OB(O)c1ccc(CNc2ccc3oc(C4CC4)nc3c2)cc1	864019853	BGUQMLLYDOZUPU-UHFFFAOYSA-N	308.146	1.997	50	20	DDGD	
COC(=O)c1cnn(CC(=O)NNc2cc(C)ccc2C)c1	860317367	ZUDHDJKYYIFQKJ-UHFFFAOYSA-N	302.334	1.430	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)c1cccnc1	764046195	JUZKVTKGZHRSQW-UHFFFAOYSA-N	303.343	1.341	50	20	DDGD	
CCCC(=O)N1CSC[C@@H]1C(=O)NNc1cccc(C)n1	862524335	XKLNUJGTKWHWCX-LLVKDONJSA-N	308.407	1.535	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H]2CCCN2C)c1	873755876	XJBCRHDYJIERRO-CYBMUJFWSA-N	306.435	1.715	50	20	DDGD	
O=C(/C=C/c1ccc[nH]1)NNC(=O)c1cncn1-c1ccccc1	1116706234	NLCJMEDPHYISIX-CMDGGOBGSA-N	321.340	1.675	50	20	DDGD	
CCC1(C(=O)NNC(=S)Nc2cc(C)ccc2F)COC1	874946538	MUFLADJWHPQYGJ-UHFFFAOYSA-N	311.382	1.878	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C#N)cc1)[C@@H]1CCCOC1	779759806	NUUWNMHVWOUVNS-CQSZACIVSA-N	301.346	1.856	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)[C@@H]1CCCN(CC(F)F)C1	870209410	JUJHLMFZDGPQQY-SNVBAGLBSA-N	323.347	1.983	50	20	DDGD	
CC(C)C[C@H]1OCCC[C@H]1NCC(=O)NNC(=O)C(C)(C)C	775871686	IAJLQCGZJYQKGW-CHWSQXEVSA-N	313.442	1.363	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc([N+](=O)[O-])ccc2O)n1	779669590	QEIVDCGQNIDTEF-UHFFFAOYSA-N	319.277	1.164	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)C[C@@H]1CCS(=O)(=O)C1	885124338	SOWWIADEZMZIOQ-JTQLQIEISA-N	316.810	1.916	50	20	DDGD	
O=C(Cc1cccc2nsnc12)NNC(=O)C1CCCC1	1123496479	XQDZTVZSRGOXKQ-UHFFFAOYSA-N	304.375	1.571	50	20	DDGD	
O=C(NNC(=O)C1CCC(C(F)(F)F)CC1)c1cccnn1	882059547	OCDXDLYGQBVCKY-UHFFFAOYSA-N	316.283	1.606	50	20	DDGD	
Cc1csc2ncc(C(=O)NN(C)c3ccccc3)c(=O)n12	776449198	YDGQREXIXVXATH-UHFFFAOYSA-N	314.370	1.846	50	20	DDGD	
C=C(CBr)n1cc(CN2CCC[C@H]2CO)nn1	881317183	ZVASOEKUIUGLJS-NSHDSACASA-N	301.188	1.100	50	20	DDGD	
O=C(NCCSCC(F)(F)F)NNC(=O)c1ccc[nH]1	770288446	LZZOWDQONZVHSO-UHFFFAOYSA-N	310.301	1.254	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccn(CC(F)(F)F)n1	1120659506	DQNXXIQVXWEUNZ-UHFFFAOYSA-N	316.243	1.001	50	20	DDGD	
C[C@@H](c1cccnc1)N(C)CC(=O)NNC(=O)c1cccs1	777712504	BRKCKXMFRMVUMM-NSHDSACASA-N	318.402	1.597	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@@H]1CCc2nnc(O)n2C1	1120672223	DEPXIYPHBJBPTA-SECBINFHSA-N	305.313	1.137	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)[C@H](C)N1C(=O)CCC1=O	885123598	BJQFTYVRSZEEDR-VIFPVBQESA-N	309.753	1.629	50	20	DDGD	
COC(=O)Cc1cn([C@]2(Cl)C[C@H]2CCBr)nn1	881384115	ZSKUYZHKHCSIDN-GMSGAONNSA-N	322.590	1.690	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1CCCN(C(=O)[C@H](C)CC)C1	887142888	DKGSXZNMWKMKJY-KGLIPLIRSA-N	321.421	1.222	50	20	DDGD	
CCOC[C@@H](NC(=O)NNc1ncncc1Cl)C(C)C	789085872	TVPCEDKZEXNPBB-SNVBAGLBSA-N	301.778	1.817	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@H]1CCCN1c1ccccc1	787476343	QNDHIGKYSOYTQU-CYBMUJFWSA-N	301.325	1.728	50	20	DDGD	
C[C@H]1CN(Cc2cn(/C=C\CBr)nn2)C[C@@H](C)O1	887550294	PHUZBLOUPWJDRE-FZTZLREASA-N	315.215	1.753	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)c2ccc(Cl)cc2O)cn1	782113739	AAIYTXQNRGIQNL-UHFFFAOYSA-N	322.752	1.727	50	20	DDGD	
C#CCN1CCC[C@H](NC(=O)NNc2ccc(Cl)nc2)C1	890371189	OMTLSDNPOHWCRG-LBPRGKRZSA-N	307.785	1.459	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccnc(C)c2)c1	789868736	ATUXOURHADHABO-UHFFFAOYSA-N	313.357	1.847	50	20	DDGD	
Cc1cnc2c(cnn2CC(=O)NN(C)C(=O)OC(C)(C)C)c1	899161087	GROSSBWTFHNAPV-UHFFFAOYSA-N	319.365	1.638	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)CO1	784150560	UZRJSNLRMQUBMQ-WDEREUQCSA-N	306.366	1.330	50	20	DDGD	
COC(=O)COc1ccccc1/C=C(/C#N)C(=O)N1CCCC1	899339571	YUZBEANJECFAII-UVTDQMKNSA-N	314.341	1.768	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCc2ccc(O)nc2)c1	787509264	HFNDGEKSLKNYOR-UHFFFAOYSA-N	315.329	1.650	50	20	DDGD	
C[C@H]1CCCCN1[C@@H](C)CNS(=O)(=O)CBr	782413612	BIJBAJRYGXDDCI-UWVGGRQHSA-N	313.261	1.521	50	20	DDGD	
CN(NC(=O)C[C@H]1NC(=O)c2ccccc21)C(=O)OC(C)(C)C	897965659	HOBROZMIHQXOQM-GFCCVEGCSA-N	319.361	1.759	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)C1CCC(NC(=O)C2CC2)CC1	793785314	HXRYZHHIBCVWMH-UHFFFAOYSA-N	302.378	1.032	50	20	DDGD	
CC[C@@H]1CCc2nc(NC(=O)NNC(=O)COC)sc2C1	799431780	CEJMQVKZKCEKKL-MRVPVSSYSA-N	312.395	1.457	50	20	DDGD	
CCOC(=O)C1(CNC(=O)NNc2ncccc2C)CCC1	791025833	FJHXGNCHNOLMPT-UHFFFAOYSA-N	306.366	1.750	50	20	DDGD	
CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NNc1ncccc1C	791217029	LVFAVPZBRNXSMW-MRXNPFEDSA-N	324.384	1.807	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCCN(C)CCOC	799572537	HRKSLRRZJLUHPK-UHFFFAOYSA-N	308.426	1.762	50	20	DDGD	
COC(=O)N(C)N=C1C(=O)Nc2cccc(Br)c21	794963665	BYCZKOGGDSUMQV-UHFFFAOYSA-N	312.123	1.804	50	20	DDGD	
O=C(NNc1nc(Br)cn2ccnc12)c1ccc[nH]1	798112196	NRZHYIIDVBDOBG-UHFFFAOYSA-N	321.138	1.577	50	20	DDGD	
Cc1ccn(-c2ccc(NC(=O)NNC(=O)c3ccc[nH]3)cc2)n1	794398186	KXKWXWXVSFBTNN-UHFFFAOYSA-N	324.344	1.975	50	20	DDGD	
C=C(CBr)COC(=O)c1ccnc(-n2cncn2)c1	795470906	ZRXLWKOZKZTBQD-UHFFFAOYSA-N	323.150	1.770	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc2cncn2c1C	1323706886	YHVKDHQQFPGZHY-UHFFFAOYSA-N	324.340	1.726	50	20	DDGD	
CC(=NNC(=O)[C@H]1COc2ccccc2O1)c1ccnc(C)n1	1320727376	DSKWSWDNRDCMMM-OAHLLOKOSA-N	312.329	1.465	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cccc(N(C)C)c2)ccn1	1248688205	NNKZSXDDZNQPJX-UHFFFAOYSA-N	314.345	1.231	50	20	DDGD	
O=C(NNC(=O)C1[C@H]2CCC[C@H]12)c1cncn1-c1ccccc1	1252589970	NRQNLJHFRJUICW-STQMWFEESA-N	310.357	1.679	50	20	DDGD	
CN1CCCC[C@@H]1C(=O)NNc1cncc(Br)c1	1253718989	PSAIUVXRYYUBCI-LLVKDONJSA-N	313.199	1.772	50	20	DDGD	
O=C(NN=Cc1cnc2ccccn12)c1n[nH]c2c1CCCC2	1320193986	SJEVBIAERGYYKE-UHFFFAOYSA-N	308.345	1.700	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cccc2c1[C@H](C)CC2(C)C	1336678400	FYPBLLVJNINIGS-SNVBAGLBSA-N	317.389	1.967	50	20	DDGD	
CCOc1ccc(NNC(=O)NC2CC3(CC(N)C3)C2)cc1	1337017706	CSNUMNJLTYBGKW-UHFFFAOYSA-N	304.394	1.981	50	20	DDGD	
C[C@H]1CN2CCN1C[C@H]2C(=O)NNc1cc(F)cc(Cl)c1	1347107859	FKUWPRBOLYNXSX-ZANVPECISA-N	312.776	1.311	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc2c(C)cc(C)nc2s1	1349940520	DRIFEXHXBUITRA-UHFFFAOYSA-N	308.432	1.994	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)c1cccnn1)O[C@@H](C)C2	1353080533	OLZJEYSBBILTFR-JTQLQIEISA-N	312.329	1.573	50	20	DDGD	
Cc1nc(N(C)C)sc1C(=O)NNC(=S)NC(C)(C)C	1353875653	IMKHSYDFAWOJGG-UHFFFAOYSA-N	315.468	1.425	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc(Cl)[nH]1	1606857256	AOTNQGAYVWHFIU-UHFFFAOYSA-N	303.713	1.605	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)N=c2cc[nH]cc2F)cc1	1608781372	ZTWDZJANRDGTRN-UHFFFAOYSA-N	304.281	1.418	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCCC[C@H]1C(=O)O	1605576312	LVPXWVCZGPREKZ-TZIYXEQSSA-N	300.314	1.765	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2ccc(C(=O)O)cc2F)CCCNC1	1604577804	REKSXESMNWGFSY-OAHLLOKOSA-N	324.356	1.540	50	20	DDGD	
NC1CCC(NC(=O)NNc2ccc(F)c(C(=O)O)c2)CC1	1601179227	ILNHCQYVXQBZTB-UHFFFAOYSA-N	310.329	1.420	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cnc(C)c(C(=O)O)c2)o1	1600340856	ADIIZDMGRFNFAI-UHFFFAOYSA-N	318.289	1.456	50	20	DDGD	
C=C(CO)C(=O)NNc1cc(C(=O)O)ccc1Br	1602788597	LKYRHXLJSAWPBX-UHFFFAOYSA-N	315.123	1.139	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@H]2COc3ccccc3O2)c1	1602447483	DQJKMIYFWATDDE-CQSZACIVSA-N	314.297	1.668	50	20	DDGD	
O=C(O)Cc1cccc(NC(=O)NNc2ncncc2Cl)c1	1611506510	FVXWJWUIHHPJCX-UHFFFAOYSA-N	321.724	1.906	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@@H]1C(=O)NN=Cc1ccoc1	1549313797	AAPFKLKQTWQJDN-JSGCOSHPSA-N	302.334	1.631	50	20	DDGD	
COc1ccc(NNC(=O)CC2CNC2)c(Br)c1	1579230367	JENVWBYHRJUTOK-UHFFFAOYSA-N	314.183	1.510	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NC[C@]2(C)CNCCO2)c(C)c1	1579577198	LWFQGUABZLWTRC-INIZCTEOSA-N	306.410	1.616	50	20	DDGD	
CCSc1ccccc1CC(=O)NNC(=O)C1CCNCC1	1578221886	VBRHFDDZSDKGEW-UHFFFAOYSA-N	321.446	1.488	50	20	DDGD	
N[C@H]1CCCn2nc(C(=O)NNc3ncccc3Cl)cc21	1580192085	ZBLGEOVWDJKJNW-VIFPVBQESA-N	306.757	1.482	50	20	DDGD	
C=C(CBr)CN1C[C@H](C(=O)OC)CC[C@@H]1C(=O)O	1588605344	HTODWHGLPCWYQT-NXEZZACHSA-N	320.183	1.276	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2ccsn2)o1	1589775360	NQQKNQFMEOLULQ-UHFFFAOYSA-N	320.338	1.192	50	20	DDGD	
CC(C)[C@@H](C(=O)O)C(=O)NNc1cc(O)nc2ncccc12	1588807587	BNYYFEAWAZJHGJ-LLVKDONJSA-N	304.306	1.135	50	20	DDGD	
CO[C@@H](C(=O)NNc1ccc(F)c(C(=O)O)c1)c1cnn(C)c1	1599028467	LTEAPRGGLAPTEQ-GFCCVEGCSA-N	322.296	1.088	50	20	DDGD	
O=Cc1ccc(CC(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1	1593415247	DTLISQCNSXAWRN-UHFFFAOYSA-N	322.328	1.365	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cc(C(=O)O)ccc2F)n1	1599722339	FVYZJJMAIWDWBV-UHFFFAOYSA-N	321.268	1.471	50	20	DDGD	
C[C@H](NC(=O)/C(C#N)=C\c1c(C(=O)O)cnn1C)c1ccccc1	1776117698	FZYJZGFUAIQRFC-LFTLCWSBSA-N	324.340	1.903	50	20	DDGD	
Cc1cc(C)c(C(=O)O)cc1C=NNC(=O)c1ccc(O)nc1	1776094271	KDVPKPXMKNHMBF-UHFFFAOYSA-N	313.313	1.866	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc(/C=C/C(=O)O)o1	1776129800	WWLSWEXYZLNPPJ-BTHQEHEQSA-N	304.302	1.437	50	20	DDGD	
COC[C@H](C)OC(=O)/C(C#N)=C/c1ccccc1OCC(=O)O	13264686	WOVWPJOBKZRRDE-DELQEKLWSA-N	319.313	1.635	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)c1	150883569	AQJMPOQMVOEUAR-UHFFFAOYSA-N	314.301	1.711	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1cccc(OCC(N)=O)c1	160751134	NPDLIKFTOLLUGI-UHFFFAOYSA-N	317.320	1.755	50	20	DDGD	
COc1cccc(OC)c1CC(=O)NNC(=O)c1ccccc1	154546875	GVCDXADIDXCRTD-UHFFFAOYSA-N	314.341	1.708	50	20	DDGD	
CNC(=O)NNC(=O)c1cnc(SC)n1-c1ccccc1	56375183	WWHVUWRMZUTSAM-UHFFFAOYSA-N	305.363	1.168	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1sc2c(c1C#N)CCN(C)C2	55010856	HCXGDIKUHWTSFS-NTMALXAHSA-N	316.386	1.990	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCOC1)c1c(Cl)cccc1Cl	170813118	CBAWUQAQZKUZRK-ZETCQYMHSA-N	303.145	1.791	50	20	DDGD	
O=C(NNC(=O)c1cccc(NC(=O)C2CC2)c1)c1ccncc1	21002169	JGDHFASVHJHZOR-UHFFFAOYSA-N	324.340	1.505	50	20	DDGD	
COc1cc(C)nc(NNC(=O)/C=C/c2cnc(C)s2)n1	174475168	AGTOPCAQOZTDCE-SNAWJCMRSA-N	305.363	1.715	50	20	DDGD	
COc1ccnc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)c1	116164079	WTMPVACUTIOOHM-UHFFFAOYSA-N	319.748	1.747	50	20	DDGD	
CC(C)NC(=O)NNC(=O)Cc1coc(-c2cccs2)n1	106019626	MGMHIVZEXSYATB-UHFFFAOYSA-N	308.363	1.684	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)CNc2ccc(C)cc2)cn1	114536966	KLYSSAXPYDRKQO-UHFFFAOYSA-N	301.350	1.085	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNC(=O)c1cccc2ncccc12	106812073	BJTNJHXQBHXPDF-UHFFFAOYSA-N	324.340	1.843	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)Cc1cccnc1	103424905	STZDMIPQRHAMFI-UHFFFAOYSA-N	303.749	1.668	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)o1	176211025	FSKXOXCECVBFOK-LLVKDONJSA-N	319.361	1.140	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CC[C@H]2CCCCO2)c(O)c1	111572910	YLQYLCYSKGLEHR-GFCCVEGCSA-N	306.362	1.811	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)Cc2cc(C)on2)c1	172042287	BJPUYLPBPZCAHJ-UHFFFAOYSA-N	317.345	1.369	50	20	DDGD	
C[C@H](CNC(=O)NNc1cccnn1)N(C)c1ccccc1	172352076	JBZGEBMJXOLEMN-GFCCVEGCSA-N	300.366	1.628	50	20	DDGD	
COCc1cc(C(=O)NNC(=O)CNc2ccc(C)cc2)no1	175142922	QFQGICCDLXOUIR-UHFFFAOYSA-N	318.333	1.003	50	20	DDGD	
O=C(CCCOc1ccc(F)cc1F)NNC(=O)NC1CC1	67236100	DFDYTBGDJGXPII-UHFFFAOYSA-N	313.304	1.617	50	20	DDGD	
Cc1sc(=O)n(CC(=O)NNc2nccnc2Cl)c1C	114895469	QCNWGQJCKBMLOY-UHFFFAOYSA-N	313.770	1.113	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1nc2c(s1)CCCC2	170696964	GTXKZJOCKORMMD-UHFFFAOYSA-N	317.374	1.883	50	20	DDGD	
CCCC(=O)N1CSC[C@@H]1C(=O)NNC(=O)c1ccccc1	66267020	UONTUEFNMKZIPS-GFCCVEGCSA-N	321.402	1.149	50	20	DDGD	
COCc1cccc(CC(=O)NNc2cc(C)nc(C)n2)c1	188284843	QPBBJOZCEPYBDP-UHFFFAOYSA-N	300.362	1.926	50	20	DDGD	
COCc1nc(C(=O)NNC(=O)c2ccccc2O)cs1	65214911	QELSWDBBCMHCCL-UHFFFAOYSA-N	307.331	1.070	50	20	DDGD	
O=C(NCC1(c2cccc(F)c2)CC1)NNC(=O)[C@@H]1CCCO1	120913572	KXVOFFOWELEQEX-ZDUSSCGKSA-N	321.352	1.367	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccnc(F)c2F)cc1	188870013	PKAISJGBQFYDOF-UHFFFAOYSA-N	305.284	1.997	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](C)Cc2c(C)noc2C)nn1	128341710	NJSPOOCOEGFIMI-SECBINFHSA-N	304.354	1.647	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)CSc2ccc(C)cc2)[nH]n1	32194839	XJHZYIDIVXVWBZ-UHFFFAOYSA-N	318.402	1.834	50	20	DDGD	
O=C(NCCCO[C@@H]1CCOC1)NNc1cc(Cl)ccn1	181485103	ZQDMYFATPKPXGL-LLVKDONJSA-N	314.773	1.557	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)CCNS(C)(=O)=O)cc1	181145846	VNCGTRLORSYYTR-UHFFFAOYSA-N	313.423	1.367	50	20	DDGD	
Cc1cccc(C(=O)NCCNC(=O)NNC(=O)C(C)(C)C)c1	79767561	XANWJISKCSPCLT-UHFFFAOYSA-N	320.393	1.101	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)Cc1ccsc1	125682321	GSPVJTUUOIDLJF-UHFFFAOYSA-N	322.411	1.936	50	20	DDGD	
Cn1c(=O)oc2c(C(=O)NNc3nccnc3Cl)cccc21	124798689	UGRCNUYZBCXOEP-UHFFFAOYSA-N	319.708	1.332	50	20	DDGD	
O=C(Cn1cc(C2CC2)nn1)NNc1ccc(OC(F)F)cc1	121908032	CRZISPPOEVCQIL-UHFFFAOYSA-N	323.303	1.900	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@@H](C)O)c1C	129485948	QKAJYKSEKTZWER-PWDRSIHYSA-N	305.378	1.155	50	20	DDGD	
O=C(NNc1ccncc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1	180504521	YXTQSNICJZRZPV-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
COc1ccnc(NNC(=O)NCCN(C)c2ccccc2)n1	45304238	ANUARCXFPFTHNX-UHFFFAOYSA-N	316.365	1.248	50	20	DDGD	
CN(Cc1ccccc1)C(=O)CNC(=O)NNC(=O)C(C)(C)C	79646898	HIGYIZMPIIVPFQ-UHFFFAOYSA-N	320.393	1.022	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Nc2cccc(OCCF)c2)cn1	186622691	NVGKCMUVHHKXAC-UHFFFAOYSA-N	321.312	1.235	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NNC(=O)c1cc(C)n[nH]1	184922107	IMQIJOYTORLNKR-AAEUAGOBSA-N	308.382	1.465	50	20	DDGD	
CC[C@H]1CCN(CC(=O)NNC(=O)Cc2ccccc2C)C1	138195793	HNNPVPJDYFDSGC-AWEZNQCLSA-N	303.406	1.417	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CN2CCCCCCC2=O)n1	47572363	DORNBUORCYRLIZ-UHFFFAOYSA-N	305.382	1.329	50	20	DDGD	
O=C(NCCC(=O)N1CCCCCC1)NNc1ccccn1	194929338	PJJWBPJOYBFQFB-UHFFFAOYSA-N	305.382	1.500	50	20	DDGD	
O=C1COc2ccc(C(=O)NNc3cccnc3Cl)cc2N1	85681365	VTXPMBNQARCJSV-UHFFFAOYSA-N	318.720	1.823	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@H]1[C@@H]2c3ccccc3CC[C@H]21	130525492	BPYVKEMBEUUKBY-LXTVHRRPSA-N	315.373	1.224	50	20	DDGD	
CN(C[C@H]1CCC[C@H]1O)C(=O)/C(C#N)=C\c1ccc(O)cc1	194807242	LAHPHMMPHBZHPW-AQMNBYCHSA-N	300.358	1.919	50	20	DDGD	
COc1ccc(S[C@H](C)C(=O)NNC(=O)c2ccc[nH]2)cc1	97464509	KYVRVUFYTOKQSM-SNVBAGLBSA-N	319.386	1.965	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)nn1	269161896	UEDARCMFPYBASC-BXUZGUMPSA-N	323.422	1.466	50	20	DDGD	
CC(=O)c1ccc(OCCCC(=O)NNC(=O)NC(C)C)cc1	264157021	INXPIIWNMCGEGK-UHFFFAOYSA-N	321.377	1.787	50	20	DDGD	
CC(C)C[C@H](C)NC(=O)NNC(=O)COc1ccccc1F	269798372	IODOEWRTSCSDKN-NSHDSACASA-N	311.357	1.970	50	20	DDGD	
CCCCCCNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	266686030	KOFATMBUWMVDDB-UHFFFAOYSA-N	324.337	1.825	50	20	DDGD	
O=C(C[C@@H]1CSCCS1)NNC(=O)c1ccccc1F	269718010	TVUAMUHXYSNJQH-SECBINFHSA-N	314.407	1.825	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@H]2CCCSC2)c1	267259167	CMZVDWKSFXFSFH-LBPRGKRZSA-N	323.418	1.600	50	20	DDGD	
C[C@H](CCNC(=O)NNC(=O)c1cnn(C)c1)c1ccccc1	265384170	GICFUSJOMZAHHK-GFCCVEGCSA-N	315.377	1.558	50	20	DDGD	
CCOC(=O)N1[C@@H](C(=O)NNC(C)=O)CC[C@@H]1c1ccc(C)o1	265489595	AWYIYQKEYMNPRR-VXGBXAGGSA-N	323.349	1.417	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C1CCC1)c1nc2ccccc2[nH]1	264700552	BJDSKQGZJBJWNK-VIFPVBQESA-N	301.350	1.754	50	20	DDGD	
CCCCC(=O)N1CSC[C@H]1C(=O)NNc1ncccn1	263922861	DCAMGJDVHOFCMP-JTQLQIEISA-N	309.395	1.011	50	20	DDGD	
O=C(NCc1nnc2n1CCCC2)NNc1c(F)cccc1F	265417402	DWTVIVGJXMIQAI-UHFFFAOYSA-N	322.319	1.719	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc2c(c1)CCC(=O)N2	273685083	HZAQSWAFAPGMAA-UHFFFAOYSA-N	305.334	1.741	50	20	DDGD	
CCn1nc(C)c(NC(=O)NNC(=O)c2ccccn2)c1C	273360305	DCQIJBDFDMOEPJ-UHFFFAOYSA-N	302.338	1.381	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccnn2C(C)C)nc1	270343022	CRVHSXVGSNWWBQ-UHFFFAOYSA-N	303.322	1.403	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@H](C)CCCOC)nc1C	272176552	KRRMBGQNMVXREQ-SNVBAGLBSA-N	324.381	1.468	50	20	DDGD	
C[C@@]1(C(=O)NNc2ccc(C(F)(F)F)nn2)CCCOC1	272700402	FLEFUTBKVFXNBE-LLVKDONJSA-N	304.272	1.755	50	20	DDGD	
NC(=O)[C@@H]1CC[C@@H](C(=O)NNc2c(Cl)cccc2Cl)O1	279918485	NMPFYAUDHOCZCW-IUCAKERBSA-N	318.160	1.469	50	20	DDGD	
C[C@](O)(CC(=O)NNC(=O)CCc1ccccc1O)C1CC1	270413700	JEFHSLCIXCNVPZ-INIZCTEOSA-N	306.362	1.023	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H](C)c2ncnn2C)cc1	276827654	DTXQPDCHCORRHB-JTQLQIEISA-N	316.365	1.083	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@H]1CCCCS1	273136338	VVZOCWUZBIMNOB-CYBMUJFWSA-N	323.418	1.540	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@@H]2CC[C@@H](N)[C@H]2C1	273408481	METQMSCTQMPLJS-RWMBFGLXSA-N	310.829	1.548	50	20	DDGD	
Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N1CC=C(C#N)CC1	273673411	DWWXDRBTPSXXRS-MRXNPFEDSA-N	322.372	1.448	50	20	DDGD	
COCCCCC(=O)NNC(=O)Nc1cc(F)cc(F)c1	283750656	KQMJBNXYKMPRAZ-UHFFFAOYSA-N	301.293	1.934	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NCC1=CCCOC1	288053572	SCNKQCBETCGNRP-UHFFFAOYSA-N	317.389	1.686	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccnc1-c1cnn(C)c1	372795312	ZVYTZGNDCYQWHM-SNVBAGLBSA-N	316.365	1.681	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2nccn2C1)c1cccc(Cl)c1	372714680	KWFABYKDPNIWOB-LLVKDONJSA-N	318.764	1.560	50	20	DDGD	
C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)NNC(=O)c1ccccc1	286810494	VNLYUBCPTJTEBK-HIFRSBDPSA-N	316.405	1.600	50	20	DDGD	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1nccnc1C1CCC1	287215755	OEPGDIYPKOVBSU-WDEREUQCSA-N	304.350	1.386	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(F)cc1)S(=O)(=O)C1CC1	284443363	HINPSSGRJSVLBS-UHFFFAOYSA-N	300.355	1.625	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@@H](CCO)CC(C)C)n1	280265208	LOOQFMFKOBSDMR-ZDUSSCGKSA-N	322.409	1.379	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)C1CCCC1	292041313	ADIOEACGOOLLDS-UHFFFAOYSA-N	311.407	1.570	50	20	DDGD	
CCC(CC)N1C[C@@H](C(=O)NNc2ncncc2F)CC1=O	293825151	AILXJCUYQCXQQI-VIFPVBQESA-N	309.345	1.096	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C(C)(F)F	292743868	QZBINFLXZCZRHH-ZETCQYMHSA-N	301.249	1.647	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2ncc(F)cc2F)[C@H]1OC	298248224	JWAIDPIINPQFCP-GMTAPVOTSA-N	316.308	1.178	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)NC2CCCCC2)s1	298733837	QCDQTAWFHHGYMN-UHFFFAOYSA-N	317.436	1.882	50	20	DDGD	
C[C@H]1CCC[C@@](CNC(=O)NNc2ccncn2)(N(C)C)C1	296410238	LBPRFOIHUQSFBM-SWLSCSKDSA-N	306.414	1.613	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)C(F)(F)F)cc1	801105899	NEFKQHUSPGRLPT-QMMMGPOBSA-N	317.267	1.279	50	20	DDGD	
CSSCCNC(=O)N1CCO[C@H](C(F)(F)F)C1	807232040	TUSVPYCFUMIEED-ZETCQYMHSA-N	304.359	1.970	50	20	DDGD	
Cn1nncc1NC(=O)NNC(=O)c1ccc(Cl)cc1F	809903221	DCEAWTBPVDBHSX-UHFFFAOYSA-N	312.692	1.074	50	20	DDGD	
CO[C@H](C)C(=O)NNc1cc([N+](=O)[O-])ccc1Br	800617641	MYQSIXINLQGSHM-ZCFIWIBFSA-N	318.127	1.835	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C(=O)Nc1ccccc1	805376112	KQROEQRHVKLWIV-UHFFFAOYSA-N	314.301	1.985	50	20	DDGD	
CN1C(=O)Cc2cc(NC(=O)NNc3cccc(F)n3)ccc21	806495560	TZQVATSBEOBLMS-UHFFFAOYSA-N	315.308	1.888	50	20	DDGD	
O=C(NC[C@H]1COc2ccccc21)NNC(=O)c1ccccc1	808197770	KICWUFJTPUDVRR-ZDUSSCGKSA-N	311.341	1.807	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1c[nH]cc1-c1ccc(F)cc1	294693501	QLRRVMSUBUSWFH-AWEZNQCLSA-N	317.320	1.761	50	20	DDGD	
Cc1[nH]c2ccccc2c1C(=O)NNC(=O)N=c1cc[nH]cc1	802029588	QERJCAUQPCYEAC-UHFFFAOYSA-N	309.329	1.760	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@@H]1C[C@@H]1Cc1ccccc1	296279858	BOPMWROHJOWBMJ-ZNMIVQPWSA-N	317.389	1.517	50	20	DDGD	
Cc1cc(Cl)ncc1NC(=O)NNC(=O)[C@H]1CCCCO1	297165029	RUDSKEMJUYZGNC-SNVBAGLBSA-N	312.757	1.765	50	20	DDGD	
O=C(NNc1ncccc1F)[C@@H]1C[C@@H](c2ccccc2)OC1=O	809891645	VLPRWVHUHGQYKP-AAEUAGOBSA-N	315.304	1.968	50	20	DDGD	
CO[C@@H]1CCN(C(=O)NNC(=O)c2cccc(C)n2)CC1(C)C	297026537	UGLOMIIHCMJXNQ-CYBMUJFWSA-N	320.393	1.491	50	20	DDGD	
CC(C)(C)n1cnc(C(=O)NNc2cccc([N+](=O)[O-])c2)n1	291972097	SVEDCOHUSRSTTJ-UHFFFAOYSA-N	304.310	1.698	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1cc(O)cc(C#N)c1	809721843	CSCJALZGGDRSOM-UHFFFAOYSA-N	309.325	1.576	50	20	DDGD	
CCCOc1ccc(CNC(=O)NNC(=O)[C@@H]2CCCO2)cc1	291647666	NJDDGTIYCJMLDY-AWEZNQCLSA-N	321.377	1.485	50	20	DDGD	
CCCOc1ccccc1NC(=O)NNC(=O)[C@@H]1CCCO1	292671931	DJQXSGFMNVSYFP-ZDUSSCGKSA-N	307.350	1.807	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CN2[C@@H](C)CC[C@H]2C)cc1	802061270	TZBIRDNTTFJVIM-TXEJJXNPSA-N	320.393	1.721	50	20	DDGD	
O=C(Cc1cccc([N+](=O)[O-])c1)NNC(=O)Nc1ccccc1	801989201	KCZJCMTZXJCDOL-UHFFFAOYSA-N	314.301	1.990	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)C(=O)NCC2CC2)cc1C	298241904	JDFLKRDRPKNWOJ-UHFFFAOYSA-N	319.361	1.141	50	20	DDGD	
CC[C@H](C)CONC(=O)NNC(=O)COc1ccc(C#N)cc1	291752311	KIFDRNJDMXFYRC-NSHDSACASA-N	320.349	1.245	50	20	DDGD	
COc1ccccc1C(=O)NNS(=O)(=O)CCC(C)(C)C	290571330	UHGPMGAMPBDLQC-UHFFFAOYSA-N	314.407	1.696	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccnc2ccncc12	806828971	RMPKDEDZUDDZOO-UHFFFAOYSA-N	322.324	1.713	50	20	DDGD	
O=C(/C=C/c1ccccc1F)NNC(=O)N=c1cc[nH]cc1	802035721	KEKKFGLQSSCFGV-AATRIKPKSA-N	300.293	1.509	50	20	DDGD	
COCCN(C)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C	293757338	YQRSMNADXVXNJH-UHFFFAOYSA-N	317.393	1.377	50	20	DDGD	
Cc1nnc(COCC(=O)NNc2cc(Cl)ccn2)s1	803054586	MNJYXHQDYROHJR-UHFFFAOYSA-N	313.770	1.555	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C[C@H](CC)C(C)C	807370858	VGXQPJSHDIWTIY-LBPRGKRZSA-N	302.415	1.995	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C[C@@H]1CCCOC1	814722865	RIMKYLXRXFPORT-ZDUSSCGKSA-N	306.362	1.993	50	20	DDGD	
Cc1nn(C)c(C)c1OCC(=O)NNc1cccc(Cl)n1	817009866	CFKBBNNVVAXBKK-UHFFFAOYSA-N	309.757	1.607	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1cccc2c1OCO2	814953485	OLBPKSJFAASYPQ-UHFFFAOYSA-N	314.297	1.650	50	20	DDGD	
CN(NC(=O)CSc1nc(-c2ccccc2)no1)C1CC1	819649712	JDHRKFJXLFMNFF-UHFFFAOYSA-N	304.375	1.954	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H](OC(C)C)c1ccccc1	815506263	RAKNDFZOUNIMFP-CQSZACIVSA-N	316.361	1.645	50	20	DDGD	
CON(C[C@H]1C[C@H]2CC[C@H]1C2)S(=O)(=O)CBr	813756128	KFHMBFDKLMPCRC-LPEHRKFASA-N	312.229	1.968	50	20	DDGD	
Nc1nc2c(s1)C(=NNC(=O)c1ccc(O)c(O)c1)CCC2	814921057	SYYMGFXNIKTDQP-UHFFFAOYSA-N	318.358	1.607	50	20	DDGD	
O=C(NNc1ncncc1F)[C@@H]1CC(=O)N(C2CCCCC2)C1	817080656	XKUKJKDMQHIQQS-SNVBAGLBSA-N	321.356	1.240	50	20	DDGD	
COc1cnc(C(=O)NNC(=O)c2cccc3ccccc23)nc1	815682521	GNTAWDPANMOXJK-UHFFFAOYSA-N	322.324	1.713	50	20	DDGD	
C[C@H]1CN(CC(=O)NNC(=O)c2cccs2)CCC1(F)F	810044692	LHFNHRGRWBLEOH-VIFPVBQESA-N	317.361	1.486	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C(C)c1c[nH]nc1C	814713317	KTMYZVFKUDFIQD-UHFFFAOYSA-N	301.350	1.679	50	20	DDGD	
CN(C)C(=O)NNC(=S)NCCCN(C)c1ccccc1	726484925	FZMBJJITLVSASJ-UHFFFAOYSA-N	309.439	1.163	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccccc1Cl)CC(C)(C)C#N	814670278	PHLPWSDBGBEABJ-UHFFFAOYSA-N	322.796	1.583	50	20	DDGD	
COc1ccccc1-n1ncc(C(=O)NN(C)C2CC2)c1C	819652378	NMKAIZGDWDPNHP-UHFFFAOYSA-N	300.362	1.928	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cn(C)nc2C2CCC2)n1	819839918	UYZYRFAYDFZDET-UHFFFAOYSA-N	300.366	1.851	50	20	DDGD	
C[C@@H](CC(=O)NN(C)[C@@H](C)CO)C(=O)c1ccc(Cl)cc1	823940298	WLIVQRASILPBLD-QWRGUYRKSA-N	312.797	1.893	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2	823988394	RMZFCGPBFGISFB-DTWKUNHWSA-N	309.391	1.077	50	20	DDGD	
C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NNC(=O)CC1CC1	496259432	AMDHVNIIEYDOHD-JTQLQIEISA-N	313.398	1.437	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc(-n2cccn2)cc1	490587967	PYQAGEHPMZRXHE-QINSGFPZSA-N	310.357	1.932	50	20	DDGD	
CC(C)N(CCC(=O)NNc1ccncn1)C(=O)OC(C)(C)C	496760013	QCKUKJIGGKYCQE-UHFFFAOYSA-N	323.397	1.955	50	20	DDGD	
CC(Cc1cccs1)=NNC(=O)[C@H](C)CN1CCOCC1	729636043	DCEVLSDVDVSLBM-GFCCVEGCSA-N	309.435	1.751	50	20	DDGD	
Cc1cnccc1C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	496761263	XXCFQNWBJOVFER-UHFFFAOYSA-N	322.365	1.066	50	20	DDGD	
C[C@H](OC[C@H]1CCCCO1)C(=O)NN(C)C(=O)OC(C)(C)C	496189449	XOAMGPPOHOQTBR-NWDGAFQWSA-N	316.398	1.859	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc(N(C)C)c1	822223172	JSABSJUTWTWCEO-KGLIPLIRSA-N	303.362	1.105	50	20	DDGD	
CCON1CCC(CC(=O)NNC(=O)NCc2ccco2)CC1	823800038	YRTJEJCILXDXDI-UHFFFAOYSA-N	324.381	1.164	50	20	DDGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C)[C@@H](C)O	490974753	OBSLNCAJHFBMFC-XNGVPUGWSA-N	300.362	1.388	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N(C)[C@@H](C)c1ccccn1	827306264	FRFGDBVHHOUJLU-SDDRHHMPSA-N	306.366	1.240	50	20	DDGD	
COc1cc(C(=O)N2CC[C@H](B(O)O)C2)ccc1C(F)(F)F	585064731	SRLDZTKGNRAWDY-VIFPVBQESA-N	317.072	1.403	50	20	DDGD	
Cc1ccccc1-n1ncc(C(=O)N2CC[C@@H](B(O)O)C2)c1C	585074749	CKAWJBAQURTMEQ-CYBMUJFWSA-N	313.166	1.178	50	20	DDGD	
COC(=O)c1cnc([C@@H](C)NC(=O)NNc2cccnn2)s1	823898708	MLLHRCVREBTBCV-SSDOTTSWSA-N	322.350	1.107	50	20	DDGD	
CN(C)CCC(=O)NNC(=S)Nc1ccc(Cl)nc1	727067418	CMHBSASRLDIVLN-UHFFFAOYSA-N	301.803	1.004	50	20	DDGD	
COc1ccnc(NNC(=O)CNc2ccccc2OC)n1	729261562	DNJYPXYEYPGCLJ-UHFFFAOYSA-N	303.322	1.049	50	20	DDGD	
COC[C@H](C)Oc1ccc(C=NNC(=O)c2ncon2)cc1	901287635	VPHJXIGPWQWECL-JTQLQIEISA-N	304.306	1.247	50	20	DDGD	
COc1ccc(-c2n[nH]cc2CN2CC[C@@H](B(O)O)C2)cc1	585077690	XKZMCAASGJWYPL-CYBMUJFWSA-N	301.155	1.134	50	20	DDGD	
C[C@H]1Oc2cc(F)ccc2[C@H]1NCc1ccc(B(O)O)cc1	585041166	VQLIUZWKDBANRT-HWPZZCPQSA-N	301.126	1.117	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(=O)n(C)cn1	823072578	DDPGYVLAYSGJNQ-UHFFFAOYSA-N	300.362	1.969	50	20	DDGD	
Cc1cccc([C@H](C)NCc2ccc(B(O)O)cc2F)c1C	585023069	CFWNOIIVBNVMQT-ZDUSSCGKSA-N	301.170	1.973	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(C#N)ccc1OC(F)F	491099226	YCLFRSTZKLOVPS-UHFFFAOYSA-N	300.221	1.552	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1C[C@H](c2ccccc2)OC1=O	496512066	KSVJFEDBCKKSHU-NWDGAFQWSA-N	320.345	1.847	50	20	DDGD	
C[C@H](Cc1ccsc1)N(C)C(=O)c1cccc(B(O)O)c1	584956805	IDZJIVKNJUJUAR-LLVKDONJSA-N	303.192	1.131	50	20	DDGD	
CN(Cc1ccc(NCc2ccc(B(O)O)cc2)cc1)C1CC1	585047099	GTVUOJFHJQQAPQ-UHFFFAOYSA-N	310.206	1.573	50	20	DDGD	
CC[C@@H](CNC(=O)c1cc(B(O)O)ccc1F)CC(F)(F)F	585002427	UYWALARVASCZKM-MRVPVSSYSA-N	321.079	1.214	50	20	DDGD	
CC[C@H](C)n1ncc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1C	831722410	YMPQMPLTDKNWNP-ZMLRMANQSA-N	323.397	1.740	50	20	DDGD	
CC(C)O[C@H]1C[C@@H](NC(=O)NNc2ncc(F)cc2F)C1	838742411	LJNFWACIQDWSSM-AOOOYVTPSA-N	300.309	1.942	50	20	DDGD	
C[C@@]1(C(=O)Nn2cc(Br)cn2)C[C@@H]1Br	907105642	UZEMPTLNHODLBK-POYBYMJQSA-N	322.988	1.889	50	20	DDGD	
CCOCC(=O)NN=Cc1ccc(N2CCOCC2)c(F)c1	731152167	ATLBBNWNEZKKCA-UHFFFAOYSA-N	309.341	1.149	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCCC1=NNC(=O)[C@@H]1CCCCO1	834989025	ORNVZYMGZSHFAJ-RYUDHWBXSA-N	302.396	1.015	50	20	DDGD	
COC1CCC(NC(=O)NNC(=O)Cc2ccccc2C)CC1	838757202	GHNPSLRVWQKSRV-UHFFFAOYSA-N	319.405	1.826	50	20	DDGD	
CCON1CCC(CC(=O)NN=c2cc[nH]cc2Cl)CC1	832243039	OFOVDOFPLGEECI-UHFFFAOYSA-N	312.801	1.654	50	20	DDGD	
CN(Cc1ccccc1)CC(C)(C)C=NNC(=O)c1ncon1	901290159	QPXLRDJEBQQRAG-UHFFFAOYSA-N	315.377	1.943	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](O)C2CCCCC2)c1F	837061649	PPFSLUANHZFONI-CQSZACIVSA-N	324.352	1.997	50	20	DDGD	
CCc1nc(CCNCc2ccccc2B(O)O)sc1C	585019716	GNNGBOQJLMWGDY-UHFFFAOYSA-N	304.224	1.026	50	20	DDGD	
COCCN(C)NC(=O)Cc1scnc1-c1ccccc1	837625809	ATZUVUPVACEVJD-UHFFFAOYSA-N	305.403	1.962	50	20	DDGD	
C[C@@H](Sc1ccc(Br)cc1)C(=O)NCB(O)O	585061690	DOOSGJHFGVXHAE-SSDOTTSWSA-N	318.001	1.058	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2ccc(C)cc2O)CCCC1	839551165	SEXMHNWVMQIRIO-UHFFFAOYSA-N	306.362	1.668	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)ccc1F	837689756	CTYKETFPJVNOIU-JMJZKYOTSA-N	320.320	1.671	50	20	DDGD	
CCOCCOCCCC(=O)NN=c1cc[nH]cc1Cl	832242342	BUNAXLSIJZPQMP-UHFFFAOYSA-N	301.774	1.433	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCc2cnn(C)c2)c1F	837058652	VTVDCSYJCHKZOY-UHFFFAOYSA-N	320.324	1.422	50	20	DDGD	
CCn1c(NNC(=O)C[C@H]2CCOC2)nc2ccccc2c1=O	739689562	LPCBKNOEGZMLRN-LLVKDONJSA-N	316.361	1.286	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNc1ccc(OC(F)F)cc1	839709295	PBXNRZHVYOWGGJ-LLVKDONJSA-N	315.320	1.879	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2	837367346	OPZIPKRQXLPVHK-MVWJERBFSA-N	321.402	1.236	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@]1(C)CCC[C@@H]1C	837933120	KPEUDMQMOQNCLI-MQIPJXDCSA-N	312.410	1.938	50	20	DDGD	
COc1ccccc1NCC(=O)NN=Cc1c(C)nn(C)c1C	915920825	YGQMHTPOHIMOOO-UHFFFAOYSA-N	315.377	1.608	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccccc2)ccc1-n1cnnn1	914748464	GEJBORXDZVFWLM-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)Cn2ccnc2C)cc1	837313019	BABLUEQPKMHAPU-UHFFFAOYSA-N	318.402	1.440	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(F)c(C(=O)NN(C)C[C@@H](C)O)c1F	910148746	WRYKKYSUAXFCAK-SSDOTTSWSA-N	303.265	1.139	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	910161042	QVRBHJCULJWKCT-FXBDTBDDSA-N	302.296	1.551	50	20	DDGD	
CC1=CC(=NNC(=O)Cc2csc(N3CCOCC3)n2)CC1	917564608	JEGFMFRATYNFSS-UHFFFAOYSA-N	320.418	1.735	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCOc1ccc2ccccc2c1	910146696	GGAMGRISSGVDRK-CYBMUJFWSA-N	302.374	1.953	50	20	DDGD	
C=CCNc1ncc(C(=O)NNC(=O)OCC(F)(F)F)s1	912596328	DHXHKIBRQCSRJU-UHFFFAOYSA-N	324.284	1.674	50	20	DDGD	
CC(C)(C)N1C[C@@H](C(=O)NNc2cccc([N+](=O)[O-])c2)CC1=O	747999849	CNEOQUCZHPNJTE-JTQLQIEISA-N	320.349	1.685	50	20	DDGD	
COC[C@@]1(CNC(=O)NNc2c(C)cccc2F)CCCN1	841994106	LRSVMPYRGRNLDC-HNNXBMFYSA-N	310.373	1.529	50	20	DDGD	
COC[C@H](Cc1ccccc1)NC(=O)NNC(=O)C1CCC1	746782390	KZZXIRCQVLCSPO-AWEZNQCLSA-N	305.378	1.375	50	20	DDGD	
Cc1nn2cccnc2c1C(=O)NNc1ccc(Cl)nc1	743816222	FTKGSRXNGMZXHU-UHFFFAOYSA-N	302.725	1.843	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cccc(N(C)C)c1)[C@@H]1CCOC1	743654486	HKLREACXVZKUIS-DGCLKSJQSA-N	320.393	1.122	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)C1CC2(CCC2)C1	843793782	ZCFHMJMZZORWOY-UHFFFAOYSA-N	304.346	1.499	50	20	DDGD	
CC[C@H]1CN(CC(=O)NNC(=O)c2cccs2)[C@@H](C)CO1	844390862	LAEVIXLGNWZWDZ-QWRGUYRKSA-N	311.407	1.008	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](N2CCCC2)C1	740878219	UWXGFPCUDHNJQK-HUUCEWRRSA-N	324.469	1.129	50	20	DDGD	
CCN1CCC(=NNC(=O)[C@H]2COc3ccccc3O2)[C@H](C)C1	741454248	YGDWMOOLWMEIQR-MLGOLLRUSA-N	317.389	1.660	50	20	DDGD	
O=C(CNc1ccccc1)NN=Cc1ccc(O)c(O)c1O	915917550	DDWULQKCIOVRJO-UHFFFAOYSA-N	301.302	1.366	50	20	DDGD	
CCCCCCOC(=O)c1ccc(NC(=O)C(=O)NN)cc1	841199249	DXMLWJXOGLPHQO-UHFFFAOYSA-N	307.350	1.352	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@H](C)C(F)(F)F	742472822	WDRFPSYECNMZHN-MRVPVSSYSA-N	320.267	1.420	50	20	DDGD	
Cc1ccccc1-n1cc(C=NNC(=O)[C@H]2CCO[C@H]2C)nn1	842560557	MPLOIXLVBKUOIT-JSGCOSHPSA-N	313.361	1.451	50	20	DDGD	
C[C@@H]1Sc2ccc(C(=O)NN(C)C[C@@H](C)O)cc2NC1=O	910180807	OEYIXSDJMZDMNT-BDAKNGLRSA-N	309.391	1.077	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)c1ccc(Cl)cc1F)C(=O)O	848584770	HQZRPPUHLDHMRI-ZCFIWIBFSA-N	317.704	1.144	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=Cc2ccc(C(=O)O)[nH]2)c1	749812674	QWXIEURMHUHIPI-UHFFFAOYSA-N	300.318	1.543	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2nc(-c3ccncc3)no2)s1	749369705	AZYUYVWTGJLNLY-UHFFFAOYSA-N	312.314	1.822	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)c1	749260019	OHHLKCFUHPNKAX-UHFFFAOYSA-N	321.296	1.658	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)C(=O)N1CCCC1)CCC2	741839734	PETWZIZBSGUETB-UHFFFAOYSA-N	315.373	1.474	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2cccc3c2OCC3)n1	927534555	GNKFXWHIEGCDRW-UHFFFAOYSA-N	315.333	1.246	50	20	DDGD	
COc1ccc(C)cc1NC(=O)NNC(=O)c1cnccn1	755389227	JJXWGNDYDXPYKZ-UHFFFAOYSA-N	301.306	1.260	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)CC(F)(F)F)c1nccs1	758725457	UUZRKIDFDDFUAI-LURJTMIESA-N	310.301	1.529	50	20	DDGD	
CO[C@H]1CCC[C@@H](CC(=O)NNC(=O)c2cccc(F)n2)C1	856427481	YMZLJRADQQTSAH-MNOVXSKESA-N	309.341	1.577	50	20	DDGD	
CC(=O)NC[C@@H]1CN(C[C@@H](CBr)C2CC2)CCO1	859146104	ROPCBEZNTFDHEA-CHWSQXEVSA-N	319.243	1.244	50	20	DDGD	
Cc1cccn2cc(CC(=O)NN=c3cc[nH]cc3Cl)nc12	757417392	ASKZIMQHTYEQAP-UHFFFAOYSA-N	315.764	1.799	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)Nc2ccsc2)C[C@@H]1Br	857006332	WCTKRGNJRHWXHF-GZMMTYOYSA-N	317.208	1.976	50	20	DDGD	
Cc1nc(C)c(C=NNC(=O)C(=O)Nc2ccccn2)s1	758389722	MFBPTPCNPXDVEJ-UHFFFAOYSA-N	303.347	1.244	50	20	DDGD	
CCS(=O)(=O)CCCNC(=O)NNc1ccc(Cl)cn1	852383713	IMPPAQYSYIFVMG-UHFFFAOYSA-N	320.802	1.186	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCC2CC(C)C2)c1	856818802	VGELPKJQZHHJQA-UHFFFAOYSA-N	305.378	1.750	50	20	DDGD	
Cn1cc([C@@H]2C[C@H]2C(=O)NC[C@@]2(C)C[C@@H]2Br)cn1	857385923	NUKWIKFZHZSQER-SRRSOLGSSA-N	312.211	1.813	50	20	DDGD	
CON1CCC(NC(=O)NC[C@]2(C)C[C@@H]2Br)CC1	856866276	XGESFGZTRUNUJC-JQWIXIFHSA-N	320.231	1.485	50	20	DDGD	
CCC(=O)N1CC[C@@H](NC(=O)NNc2ccc(C)c(F)c2)C1	853863389	QGDQMYCOBQAKDR-GFCCVEGCSA-N	308.357	1.771	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CC2OCCO2)c1C	854186142	FLTYVDRXVOBYMA-UHFFFAOYSA-N	309.391	1.384	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Cc2cscn2)cc1C	854191921	WSZUGZYFOXMBFR-UHFFFAOYSA-N	319.386	1.529	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cccc2nccn12	855090179	AYELEWQCFBPKCG-UHFFFAOYSA-N	303.391	1.243	50	20	DDGD	
COc1cncnc1NC(=O)NC[C@]1(C)C[C@@H]1Br	856868606	CVYDFBDQNRRDQC-KWQFWETISA-N	315.171	1.780	50	20	DDGD	
C[C@@H]1CCN(C(=O)NC[C@]2(C)C[C@H]2Br)[C@H](CN)C1	857105111	DZUXOMFTLNRZJG-XZUYRWCXSA-N	318.259	1.929	50	20	DDGD	
CCCOc1ccc(Cl)cc1NC(=O)NNC(=O)CO	756020320	YMDGXIUALGPYOV-UHFFFAOYSA-N	301.730	1.274	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)Cc2cnn(C)c2)cc1	750718505	KZGOALNWTCNZOW-UHFFFAOYSA-N	318.402	1.211	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H]2CCN(C3CC3)C2)c1	858282063	RITZFEJOKULDFM-JTQLQIEISA-N	308.407	1.237	50	20	DDGD	
CC[C@H]1CC(=NNC(=O)CNC(=O)c2cccs2)CCO1	756826265	FNCDUDBVOZDCLH-NSHDSACASA-N	309.391	1.539	50	20	DDGD	
C[C@H](CCC(C)(C)C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1	754043846	SRCKUTKRNFAKPY-GHMZBOCLSA-N	318.439	1.031	50	20	DDGD	
CCC[C@@H]1C[C@@H](C(=O)NNC(=O)OCC(F)(F)F)CCO1	856023136	ZVLLEQAGIZNGAE-DTWKUNHWSA-N	312.288	1.901	50	20	DDGD	
Cn1nnc2c(C(=O)NC[C@@]3(C)C[C@H]3Br)ccnc21	857388164	QFBLCTKGOMEEQT-PRHODGIISA-N	324.182	1.267	50	20	DDGD	
Cc1nnc2n1C[C@@H](C(=O)NNc1ccc(Cl)cn1)CC2	856092638	AOPXULMQOPCXAC-VIFPVBQESA-N	306.757	1.341	50	20	DDGD	
COc1ccc(C(=O)NNc2cc(Cl)nc(N)n2)c(C)c1	753452912	XJEQBPDZDLTGJG-UHFFFAOYSA-N	307.741	1.786	50	20	DDGD	
CCC1(CC)[C@@H](NCC(=O)NNC(=O)C(C)(C)C)C[C@H]1OC	759598384	ALDRKXSRBTYEDY-NWDGAFQWSA-N	313.442	1.363	50	20	DDGD	
CCOC1CC(CC(=O)NNC(=O)c2cccc(Cl)n2)C1	857323599	SHJZDIBKBFROPP-UHFFFAOYSA-N	311.769	1.701	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)CN(C)C1CCC1	863851725	MXMPLMGPWVXJFW-UHFFFAOYSA-N	319.405	1.260	50	20	DDGD	
O=C(CC(F)(F)C(F)(F)F)NNC(=O)[C@H]1CCCCO1	868619892	VRJOMWQTXUJJNO-ZCFIWIBFSA-N	304.215	1.291	50	20	DDGD	
CCN(CCO)CCNC(=O)[C@@H](Br)C(C)(C)C	769642427	ULGOFGLBPHVUHZ-SNVBAGLBSA-N	309.248	1.226	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNc2cnc3ccccc3n2)n1	867423007	ZBBRJFAMZOQVQX-NSHDSACASA-N	310.361	1.914	50	20	DDGD	
COCCN(C)CCNC(=O)[C@@H](Br)C(C)(C)C	767951449	YFTFSFKIYBXGPZ-SNVBAGLBSA-N	309.248	1.490	50	20	DDGD	
CC(=O)Nc1ccc(NCc2ccccc2B(O)O)cc1Cl	864019566	JYGJNUJIKNNJGY-UHFFFAOYSA-N	318.569	1.590	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CCc2cn[nH]c2)cc1	863860786	IUPSWUFHGMCBRY-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
C[C@]1(CNC(=O)c2csc(CO)n2)C[C@H]1Br	869356437	HVHSEYOLWGSWMV-GMSGAONNSA-N	305.197	1.539	50	20	DDGD	
CCCn1cc(/C=C(/C#N)C(=O)NCCc2ccccc2)nn1	865214321	QZAUOQSABLFWHW-PTNGSMBKSA-N	309.373	1.954	50	20	DDGD	
Cc1nn(C)c(-n2cccn2)c1C(=O)NN[C@@H](C)C(F)(F)F	862318079	MYFSCFBBSCNMIH-QMMMGPOBSA-N	316.287	1.099	50	20	DDGD	
CC[C@](C)(NC(=O)NNC(=O)c1cccn1C)C(F)(F)F	933521564	IPDYHNHQFPAVGV-NSHDSACASA-N	306.288	1.700	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc3ccccc3n2)c(C)nn1	767163111	DTCLJJFVASVDAK-UHFFFAOYSA-N	321.340	1.716	50	20	DDGD	
COCCOCC(C)=NNC(=O)c1cc(-c2cccs2)[nH]n1	764788425	YRZRTJDRLAZQRX-UHFFFAOYSA-N	322.390	1.907	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@H]1CCCN(CC(F)F)C1	864428266	CXCASWQRFVKLAD-VIFPVBQESA-N	307.341	1.519	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C2CSC2)cc1	864494573	LPVYFBQDMPTLBQ-SNVBAGLBSA-N	324.402	1.363	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)C(=O)Nc1ccc2occc2c1	861805266	ZJCBHGZTNRHWHP-UHFFFAOYSA-N	315.329	1.709	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H](C(C)C)N2C[C@H](C)O[C@H](C)C2)n1	862523798	NYFIRCUJYSEULE-IJEWVQPXSA-N	320.437	1.967	50	20	DDGD	
C[C@@H](NNC(=O)c1cccnc1OCC(F)F)C(F)(F)F	862317117	VGFNLAJNCXHNEA-ZCFIWIBFSA-N	313.226	1.911	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1coc(C2CCC2)n1	767723547	PMQBMPOVOKPKED-UHFFFAOYSA-N	304.306	1.679	50	20	DDGD	
O=C(CCl)NC[C@@H](O)COc1ccccc1Br	1116438487	SGPMKSXSKWPEEP-MRVPVSSYSA-N	322.586	1.544	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C2(CC)COC2)c1	874950241	PCAMRDKUQOAPHX-UHFFFAOYSA-N	303.387	1.412	50	20	DDGD	
CC[C@@H](NC(=O)NN(C)C(=O)OC)c1ccc2c(c1)OCCO2	875131957	LAEIEHKXHYJITH-LLVKDONJSA-N	323.349	1.821	50	20	DDGD	
Cc1csc(NC(=O)C(=O)NNc2ccc(C#N)cc2)n1	773696733	JHVWKKIHBSPEKI-UHFFFAOYSA-N	301.331	1.405	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1nc(-c2ccncc2)cs1	873189031	NFWXTDZNRUQSJO-UHFFFAOYSA-N	319.390	1.692	50	20	DDGD	
Cc1[nH]c(C=O)cc1C(=O)NNC(=O)c1cccc(N(C)C)c1	773717366	WXLVAZGWXFJNED-UHFFFAOYSA-N	314.345	1.276	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccc(-n2ccnc2)nc1	772861341	VNSCYXJPLJNRQV-UHFFFAOYSA-N	323.360	1.938	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cnc([C@@H](C)O)s1	773713734	YDMPJINXHFXWBQ-SECBINFHSA-N	305.359	1.580	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C[C@H]1CCC[C@H]1C	772362835	DBKBCJGIEMOUEL-FRRDWIJNSA-N	312.410	1.938	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@@H]1CCCCO1	772188344	ZHZQOWSGPJSEMA-NEPJUHHUSA-N	314.382	1.071	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)CCc1cnn(C)c1	773623027	XDBQNRUURGCMFQ-UHFFFAOYSA-N	320.324	1.422	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)c1ccncn1	779040517	JXQGAYQVLNUPHJ-UHFFFAOYSA-N	318.358	1.039	50	20	DDGD	
N#CCc1ccccc1CC(=O)NNc1ncnc2[nH]cnc12	777523348	KKQKOIHSTRCJRG-UHFFFAOYSA-N	307.317	1.105	50	20	DDGD	
CCN1CCC[C@H]1Cn1c(C)cc(C=NNC(=O)CO)c1C	776782094	LBTLXJJHESHTSO-HNNXBMFYSA-N	306.410	1.032	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1c[nH]c2ccccc12	771968909	QRCNKUGKKIRJRJ-VIFPVBQESA-N	303.318	1.271	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1CCc2cc(OC)ccc2C1	887153475	XHDSFAFDCBBQFJ-OAHLLOKOSA-N	314.385	1.751	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cn(C)nc1-c1ccncc1	887141752	HOFMWQBNGFEVLF-UHFFFAOYSA-N	311.345	1.047	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCC(=O)[C@H](C)C1(C)C	780627828	IVODSLHXSATMAS-KWQFWETISA-N	306.366	1.121	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1F)[C@H]1CCCS(=O)(=O)C1	885106999	OXFGTTQHVJPXOA-QMMMGPOBSA-N	320.773	1.747	50	20	DDGD	
Cc1cc([C@H](C)NC(=O)NNC(=O)c2cccnn2)c(C)s1	883118957	KVLUOILLFGLOMT-VIFPVBQESA-N	319.390	1.860	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)CSc2ccccc2O)CO1	784460376	YBJQPFQPTVUENG-UWVGGRQHSA-N	310.375	1.057	50	20	DDGD	
CC(C)[C@@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)c1cnn(C)c1	885419462	HOTZCEJXQCCOQT-DTHCKZEYSA-N	312.377	1.574	50	20	DDGD	
COC(=O)[C@]1(NS(=O)(=O)CCCCl)CC[C@H](C)CC1	882395075	OVGFOCANEMYJBB-UMSPYCQHSA-N	311.831	1.657	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)COC(=O)/C(C#N)=C/C1CC1)C(=O)OC	786678263	QEKIVVAQGSABAR-IGQFUDTBSA-N	322.361	1.093	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ncsc1C(F)(F)F	887148394	ZZWRCIHRCKJSHB-UHFFFAOYSA-N	305.281	1.726	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cc(C2CCOCC2)nn1C	880181487	YYAYCYOMEOOEHZ-UHFFFAOYSA-N	311.342	1.049	50	20	DDGD	
CC(=NNC(=O)c1nnc(-c2ccccc2)o1)c1cc(C)nn1C	788994440	JXGVNFZTOARSHV-UHFFFAOYSA-N	324.344	1.933	50	20	DDGD	
O=C(NN=C1CCOc2c1cc(F)cc2[N+](=O)[O-])c1ccc[nH]1	783816309	MKRQXGJSULZBAX-UHFFFAOYSA-N	318.264	1.979	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc(C(=O)OC)c(C)c1	899339710	TZWIBIAOFYSJTI-LCYFTJDESA-N	302.330	1.451	50	20	DDGD	
COc1cccc([C@H](O)C(=O)NNc2ncncc2Cl)c1	781837197	VFIJPFRIJNOVGV-NSHDSACASA-N	308.725	1.315	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cccc(F)c2O)n1	896668121	AVRDSUOXBYPMHL-UHFFFAOYSA-N	319.340	1.924	50	20	DDGD	
COC(=O)C1(CNC(=O)NNc2cccc(OC)n2)CCCC1	780022922	DQGJEFQTFCSGOW-UHFFFAOYSA-N	322.365	1.450	50	20	DDGD	
Cc1ccc(CNC(=O)NNc2ccc(-n3ccnc3)nn2)cc1	796654642	FCJYUJRRRWURBM-UHFFFAOYSA-N	323.360	1.797	50	20	DDGD	
C[C@H]1CC[C@H](CNC(=O)NNC(=O)COc2ccc(F)cc2)C1	793459152	NJWDQANTSBQIBE-RYUDHWBXSA-N	323.368	1.971	50	20	DDGD	
CCOc1c(OC)cc(/C=C(\C#N)S(N)(=O)=O)cc1OC	798230180	NHLUEXIOUVBASR-BJMVGYQFSA-N	312.347	1.255	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Cc1ccc2n[nH]cc2c1	792829056	MYKLEXGWJGDKNZ-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
C=C[C@H](NNC(=O)c1cc2c(s1)CCCCC2)C(=O)OC	799974978	FXYFLABWUOKRIR-NSHDSACASA-N	308.403	1.979	50	20	DDGD	
O=S(=O)(NCC(Cl)Cl)c1ccc(Cl)nc1F	692806725	NWDAHVADMALUBE-UHFFFAOYSA-N	307.561	1.956	50	20	DDGD	
CCOc1ncc(C(=O)NNC(=S)NC(C)C)cc1Cl	1318751474	YTWZLAUADHCSKK-UHFFFAOYSA-N	316.814	1.651	50	20	DDGD	
Cc1nnc(CNC(=O)NNc2ccc(Cl)c(F)c2)n1C	1318878409	YGGRSAINHJBBHW-UHFFFAOYSA-N	312.736	1.742	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ncoc1[C@@H]1CCCO1	1326979880	YQPKANAVSOJJNQ-LURJTMIESA-N	322.243	1.032	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)c1cncn1-c1ccccc1)C1CC1	1321175137	XTJHMZWETFQJQQ-CQSZACIVSA-N	314.345	1.058	50	20	DDGD	
CC(C)(F)CCNC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1329545510	JVQRFZMCLCVYHT-UFBFGSQYSA-N	323.206	1.531	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@]1(F)CCOC1	1327375717	KDNIOJONMPKWPJ-LBPRGKRZSA-N	302.737	1.825	50	20	DDGD	
Cn1cc2c(n1)CCC[C@H]2C(=O)NNc1nncc(N)c1Cl	1321332043	LDPHVHIPSDFTSK-SSDOTTSWSA-N	321.772	1.009	50	20	DDGD	
Cn1nc2ccccc2c1C(=O)NNc1nccnc1Cl	1324162786	TYOCCUTXFXLPKC-UHFFFAOYSA-N	302.725	1.774	50	20	DDGD	
OB(O)c1cccc(Br)c1OCc1ccccc1	1975389587	HHGJDZMESYKSBQ-UHFFFAOYSA-N	306.952	1.708	50	20	DDGD	
C[C@@H]1COCC[C@@H]1CNC(=O)NNc1nncc(N)c1Cl	1258353370	FMSLEAJQWBGUAB-HTQZYQBOSA-N	314.777	1.011	50	20	DDGD	
Cc1cc(C(=O)NNc2nccn(C)c2=O)c(C(F)(F)F)o1	1255096640	VJOIWTJLWYOSIU-UHFFFAOYSA-N	316.239	1.457	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H]2CCCC[C@@H]2C1)c1cccnn1	1330856024	MURBCUCWDCZFIS-VXGBXAGGSA-N	303.366	1.343	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C=NNC(=O)C2CCOCC2)c1C	1333199361	MSWPVNWKEMCOKS-UHFFFAOYSA-N	321.377	1.685	50	20	DDGD	
C[S@](=O)CCCNC(=O)NC[C@]1(C)C[C@@H]1Br	1339770587	BQMKAHANFVUSSB-ACZUWMGVSA-N	311.245	1.228	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cc2n(n1)CCNC2	1341389443	UJXNSEONAKIXEQ-UHFFFAOYSA-N	322.800	1.291	50	20	DDGD	
O=C(NNC(=O)c1cncc(OCC(F)F)c1)c1cccnc1	1340735236	YNANXFBIXLDAPK-UHFFFAOYSA-N	322.271	1.195	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)[C@H]3C[C@H]3F)n[nH]2)cc1	1518937772	WKKGSUTYCWRVTC-WDEREUQCSA-N	302.309	1.504	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CCc1nccn1C	1528382790	FSSQXWZJWSPFEK-UHFFFAOYSA-N	301.350	1.514	50	20	DDGD	
O=C(O)[C@@H]1C[C@H]1c1ccc(NCc2ccccc2B(O)O)cc1	1608814218	DBSOTGMFRPRETF-LSDHHAIUSA-N	311.146	1.167	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C(=O)O)c1ccc(F)c(C)c1	1605618478	KRBQYNONJRZBRQ-YKWSONSWSA-N	306.293	1.820	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cc(C(=O)O)[nH]n1	1605440479	USKPODNSPWQMKI-UHFFFAOYSA-N	311.729	1.412	50	20	DDGD	
Cc1c(NNC(=O)c2cn3c(n2)CCC3)cccc1C(=O)O	1607551939	AXQWJYJXOMBQAQ-UHFFFAOYSA-N	300.318	1.593	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccsc2C(=O)O)cc1	1608200316	HDIPVPYOHMWSKE-UHFFFAOYSA-N	315.310	1.393	50	20	DDGD	
C[C@@H]1CCNC[C@H]1NC(=O)NNc1ccc(C(=O)O)cc1F	1604760666	QVEJBPYWWUXHLO-PRHODGIISA-N	310.329	1.148	50	20	DDGD	
O=C(O)CCCCNC(=O)NNc1c(F)cc(F)cc1F	1601988580	QQBIKUJYHOWHHF-UHFFFAOYSA-N	305.256	1.985	50	20	DDGD	
Cc1oc(CNC(=O)NNc2cccc(C#N)c2)cc1C(=O)O	1600851594	SRVARDHEELSPIN-UHFFFAOYSA-N	314.301	1.984	50	20	DDGD	
Cc1cc(F)ccc1C=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549318545	PROYRLFNOGYIJZ-LSDHHAIUSA-N	305.353	1.447	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(F)cc2N)cc1	1540291044	HSFKNNQHKYOPCD-UHFFFAOYSA-N	303.293	1.491	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@@H]1C=NNC(=O)c1ccccn1	1552760463	QKEZJYKQFKQKJK-TZMCWYRMSA-N	313.361	1.791	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CC[C@H](C3CC3)N2)cc1	1579724026	OZQZMSJXJWVPRI-CABCVRRESA-N	316.405	1.085	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C[C@H](N)C(F)F)c1C	1579767478	DJONCZCYWVGRMX-VIFPVBQESA-N	316.377	1.604	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)[C@@H]2CCN2)CCCC1	1579795306	MRRAIIRDHCBMMT-AWEZNQCLSA-N	301.390	1.316	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)COC2CNC2)C1	1575263289	XUBLVWWVXXIGKQ-GFCCVEGCSA-N	314.502	1.598	50	20	DDGD	
C[C@@H]1C[C@H]2CC[C@@H](C(=O)NNc3ncccc3C(=O)O)CN2C1	1589300387	VIYKPNNETSMIKD-IJLUTSLNSA-N	318.377	1.343	50	20	DDGD	
O=C(CCc1ccc(Cl)cc1Cl)NNC(=O)[C@@H]1CCN1	1580544107	AZLJUOZLFBUSAQ-NSHDSACASA-N	316.188	1.435	50	20	DDGD	
COC[C@@H](C)C(=O)N1CCCC12CN(C(=O)C(Cl)Cl)C2	1841664518	BPFIGTDMPOKXCV-SECBINFHSA-N	323.220	1.276	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)C(C)C)C1	1841422145	FQBSUIOSMBIHPV-NEPJUHHUSA-N	316.829	1.224	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)COC	1847863097	QXBJEJKAGRGBCT-VOAKCMCISA-N	316.829	1.488	50	20	DDGD	
CCc1ccc(NNC(=O)c2cc(-c3nn[nH]n3)ccn2)cc1	1590891110	DTQUBDRULGMGPK-UHFFFAOYSA-N	309.333	1.581	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1ccsc1-c1nn[nH]n1	1593166623	IIUZJPJGGXGMDD-UHFFFAOYSA-N	321.753	1.155	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC(O)(C2(C(=O)O)CCC2)CC1	1596860260	IDHPPAZDILSVDA-VAWYXSNFSA-N	322.361	1.039	50	20	DDGD	
C[C@H]1COCC[C@@H]1NC(=O)NNc1ccc(C(=O)O)c(F)c1	1594602586	FKVRRQGLBYBVFD-UFBFGSQYSA-N	311.313	1.575	50	20	DDGD	
C[C@@H]1CN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C[C@H]1CC(=O)O	1599851567	AMHHJRUYTSBBDN-KQMCEHGWSA-N	314.341	1.868	50	20	DDGD	
CCOc1ccc(C(=O)NNc2ccc(C(=O)O)cn2)cn1	1597062134	JCUVFMFRAFAGJP-UHFFFAOYSA-N	302.290	1.330	50	20	DDGD	
N#Cc1cccc(C=NNC(=O)c2cccc(C(=O)O)c2)c1O	1776096152	NSXMGIUPMIXFPP-UHFFFAOYSA-N	309.281	1.726	50	20	DDGD	
CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](O)CCl)C3)CC1	1795390436	AVXYIGHBCODJAC-USZNOCQGSA-N	314.813	1.024	50	20	DDGD	
O=C(CSc1nc2ccccc2s1)NNC(=O)C1CC1	15891688	OPBGFEYCRZIQDZ-UHFFFAOYSA-N	307.400	1.946	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)COc2ccc(C(N)=O)cc2)c1	158712872	QDEGEDLPTARQJY-UHFFFAOYSA-N	313.357	1.924	50	20	DDGD	
CCOC(=O)C[C@H](C)NC(=O)c1c(C)nn(CCCl)c1C	160831250	UKDUCEQOYDTMQK-VIFPVBQESA-N	315.801	1.810	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNc2ccc(C(F)(F)F)nn2)c1	165533416	OWXKXHPTMAFMHK-UHFFFAOYSA-N	313.239	1.783	50	20	DDGD	
CC(C)Oc1cccc(C(=O)NNC(=O)c2cccc(C#N)c2)n1	165805366	OOAGIVDGBKRJKB-UHFFFAOYSA-N	324.340	1.815	50	20	DDGD	
CCONC(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C	166540717	CJFKFEOMHYUWJA-UHFFFAOYSA-N	316.361	1.990	50	20	DDGD	
CCOCCC1(C(=O)NNC(=O)Cc2ccncc2)CCC1	151136308	PQRJTZHSOJIEBJ-UHFFFAOYSA-N	305.378	1.368	50	20	DDGD	
O=C(NNc1ccccc1F)[C@H]1CCCN1C1CCOCC1	153290107	MABDGSJCMPAJCX-OAHLLOKOSA-N	307.369	1.912	50	20	DDGD	
Cc1cc(N2CCCC2)ccc1NC(=O)NNC(=O)CN(C)C	153848465	CSLKLTSZKAAUPV-UHFFFAOYSA-N	319.409	1.310	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCn2ccnc2C1)c1c[nH]c2ccccc12	155871138	SVDWRPSSHFPXEC-NSHDSACASA-N	323.356	1.388	50	20	DDGD	
O=C1CCc2cc(C(=O)NNC(=O)NCC3CC3)c(F)cc2N1	157340364	QRSFCIXTWXTMNJ-UHFFFAOYSA-N	320.324	1.064	50	20	DDGD	
C[C@H]1CC[C@H](CC(=O)NNc2nccc(N3CCOCC3)n2)C1	155495742	YWCDSHXYKLLJKQ-STQMWFEESA-N	319.409	1.583	50	20	DDGD	
CCCOc1cccc(CC(=O)NNC(=O)c2cc(C)n[nH]2)c1	154376652	XXVLYZONKROJPO-UHFFFAOYSA-N	316.361	1.511	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21	154920200	NHMQLVKORWKNKP-USXIJHARSA-N	322.368	1.293	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)CCl)C[C@@H]2C1	1333535009	LHHCLVHOFPEASU-MNOVXSKESA-N	302.802	1.941	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc(CS(C)(=O)=O)cc1	10160277	WXATXEMWOXMMQN-UHFFFAOYSA-N	312.391	1.038	50	20	DDGD	
O=C(COC(=O)c1ccccc1O)NNC(=O)c1cccs1	10530331	RICCFLNQFGVPKC-UHFFFAOYSA-N	320.326	1.072	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)c2ncoc2C)o1	102339010	HFLSTFYWUVVSCA-UHFFFAOYSA-N	320.349	1.493	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1cccc(CS(C)(=O)=O)c1	58469025	JTSPUEZNLWEHIJ-XFXZXTDPSA-N	308.359	1.614	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)Cc2cccnc2)ccc1F	105592218	OGQLFWNXGQAXGX-UHFFFAOYSA-N	323.349	1.081	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)NCCc2cccs2)no1	103547455	OKIPWIFNTQGGFG-UHFFFAOYSA-N	310.404	1.396	50	20	DDGD	
C=C(C)COCCNC(=O)NNC(=O)c1cccc(Cl)c1	178002803	NYGHACHVPLXKKB-UHFFFAOYSA-N	311.769	1.877	50	20	DDGD	
CN1CCN(CC(=O)NNc2ccccc2C(F)(F)F)CC1	111555938	JCVMTEMWQZOQPR-UHFFFAOYSA-N	316.327	1.396	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cccc(-n2cccn2)c1	116640263	QIXBGBGNWJODOJ-UHFFFAOYSA-N	321.340	1.271	50	20	DDGD	
CO[C@H](C)CC(=O)NNC(=O)c1cccc(Br)c1	174536750	MAEHWAIDCMSLHF-MRVPVSSYSA-N	315.167	1.635	50	20	DDGD	
C[C@H](C(=O)NNc1nc(C(F)(F)F)cs1)n1cncn1	176830505	FELZLGGWLBZMJV-RXMQYKEDSA-N	306.273	1.458	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCC[C@@H]1C[C@H]2CC[C@@H]1C2	177464197	DMGUUKZWQXCXGI-RRFJBIMHSA-N	316.405	1.781	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CC[C@@H]2CCOC2)c(C)c1	175874551	TWWBYDREHGYEER-CQSZACIVSA-N	319.405	1.679	50	20	DDGD	
CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)NNC(=O)c1ccc[nH]1	118588862	LHTTVRWPACZEHX-YPMHNXCESA-N	322.409	1.800	50	20	DDGD	
CSc1nc(C(=O)NNC(=O)NC(C)C)c2ccccn12	63265560	XPVKRRQZCUBDNU-UHFFFAOYSA-N	307.379	1.409	50	20	DDGD	
Cc1nnc(NNC(=O)c2csc3ccccc23)nc1O	23311781	DRTLCLFIRORGOS-UHFFFAOYSA-N	301.331	1.857	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)NCC(F)F)cc1	174384641	NJFPDFPHROYJQT-UHFFFAOYSA-N	301.297	1.353	50	20	DDGD	
Cc1ccccc1C(F)(F)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	1261501121	QCRFOQLFZQIPIM-QWRGUYRKSA-N	312.316	1.659	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CC(C)(C)C)cnn1-c1ccncc1	120372291	ZBCNUMZDNHYZQI-UHFFFAOYSA-N	315.377	1.773	50	20	DDGD	
CCN(C)C(=O)[C@@H](C)NC(=O)NNc1ccc(Cl)c(F)c1	187871284	FHWYGYXGYHJYOQ-MRVPVSSYSA-N	316.764	1.972	50	20	DDGD	
CCc1n[nH]c(=O)c(C(=O)NNC(=O)CC(C)(C)C)c1CC	128628940	CXXNGGCGHXQNGO-UHFFFAOYSA-N	308.382	1.092	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCc2c([nH]c3ccccc23)C1	126861305	HVMIRMWNCGEFMH-LLVKDONJSA-N	314.389	1.472	50	20	DDGD	
C[C@@H]1CCC[C@@H](C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1	129410070	UPZDXRGGPMGOJS-JMSVASOKSA-N	318.373	1.800	50	20	DDGD	
Cc1cc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c(C)o1	73523436	IYHSNCBDGAFVAK-LLVKDONJSA-N	300.380	1.002	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCc2cccnc2)cc1	120154805	OSVWFHKMWBBVDJ-UHFFFAOYSA-N	314.345	1.299	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CCC2	124640634	STCXFIYMINYXSU-JTQLQIEISA-N	303.362	1.307	50	20	DDGD	
CC[C@H]1CCCC[C@H]1OCC(=O)NNC(=O)c1cccnc1	184522268	HCFNBNOPALNSTH-GXTWGEPZSA-N	305.378	1.828	50	20	DDGD	
Cc1ccc(C[C@@H](C)C(=O)NNC(=O)Cc2cccnc2)cc1	181205525	IKNVWEVDSAXRGL-CQSZACIVSA-N	311.385	1.959	50	20	DDGD	
CCc1noc2ncc(C(=O)NNc3cccc(OC)n3)cc12	180687669	XOWAKDJPCNNDKX-UHFFFAOYSA-N	313.317	1.946	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)[C@@H](O)c1ccccc1	73432149	AEMWJMKMKCPMEG-KRWDZBQOSA-N	323.352	1.522	50	20	DDGD	
CSC[C@@H](C)NC(=O)NNC(=O)c1cccc2ncccc12	77801000	IXJZCULHYDJRRZ-SNVBAGLBSA-N	318.402	1.930	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)NCc2ccoc2)c1	47089117	IATZMYDEAAANEP-UHFFFAOYSA-N	317.345	1.806	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@H]1CCN(C(C)C)C1=O	185397348	KQLPKEWWMZMAHI-LBPRGKRZSA-N	308.357	1.770	50	20	DDGD	
CCCC[C@H](NNC(=O)c1cccc(N(C)C)c1)C(=O)OC	135141443	BJALRRDDCIJEDT-AWEZNQCLSA-N	307.394	1.719	50	20	DDGD	
CC[C@@H](C)NC(=O)NNC(=O)c1cc(Br)c[nH]1	42844837	JQYHCRWOWQMGHG-ZCFIWIBFSA-N	303.160	1.520	50	20	DDGD	
Cc1ccc(F)c(S(=O)(=O)NNC(=O)NCC2CC2)c1	49152658	KWNZNSGMJCPUIY-UHFFFAOYSA-N	301.343	1.037	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H]2CSCCS2)cc1	192719459	FUYLEEHHYBMCCN-GFCCVEGCSA-N	310.444	1.859	50	20	DDGD	
CCC(C)(C)CNC(=O)NNc1ccc(-n2cccn2)nn1	190743587	RHYGZAOBDWBHKL-UHFFFAOYSA-N	303.370	1.725	50	20	DDGD	
COc1nccnc1NNC(=O)C(F)(F)c1ncccc1C	192922058	IVSVVNBRUJPHLX-UHFFFAOYSA-N	309.276	1.424	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccnc2)cc1C	193958326	MHRQZTURTXSXPU-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)Nc2ccc(C)c(C)c2)n1	192983057	NLNJERGYSDXKRF-UHFFFAOYSA-N	313.361	1.792	50	20	DDGD	
CCC(=O)Nc1cccc(C(=O)NNC(=O)c2ccc[nH]2)c1	97464482	BEUIZJRINZDNFM-UHFFFAOYSA-N	300.318	1.438	50	20	DDGD	
COc1ccnc(NNC(=O)/C=C\SCc2ccco2)n1	254926494	OJACRZURMSAHDN-YVMONPNESA-N	306.347	1.968	50	20	DDGD	
N#C/C=C(\c1ccccc1)N1CCC[C@@H](CS(N)(=O)=O)C1	267515847	RROANWOMHQTVHJ-MGMWDDNKSA-N	305.403	1.552	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C/c1cccc(OCC(=O)O)c1	264897717	AXAGLZPAYNZEQX-HOVAHTAHSA-N	318.329	1.208	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNC(=O)NCC(F)(F)F)no1	266528848	LYQMLSLOBBTDIY-UHFFFAOYSA-N	308.260	1.478	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1)C1CC1	264769920	KVUHQJMYXVFQGN-GFCCVEGCSA-N	309.272	1.015	50	20	DDGD	
CC(C)(C)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1	263905762	KLJFWRNXGPRQHA-UHFFFAOYSA-N	311.407	1.617	50	20	DDGD	
COc1ccnc(NNC(=O)NCCCc2ccc(O)cc2)n1	265486854	WTDVCUPUVHWXDN-UHFFFAOYSA-N	317.349	1.450	50	20	DDGD	
CNC(=O)NNC(=O)CCCc1cccc(C(F)(F)F)c1	274496855	RALCFLQHMQHTNL-UHFFFAOYSA-N	303.284	1.988	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccc(OCCCOC)c1	272718891	ZLVSEQNTWRSIDV-UHFFFAOYSA-N	309.366	1.408	50	20	DDGD	
CCOC(C)(C)CNC(=O)NNC(=O)Cc1ccccc1OC	275714880	HOMJWBXFVSWXPD-UHFFFAOYSA-N	323.393	1.383	50	20	DDGD	
Cc1ccc(Br)nc1C(=O)NNC(=O)N(C)C	276276794	WSRPSFLWVMISKT-UHFFFAOYSA-N	301.144	1.069	50	20	DDGD	
O=C1CCSc2ccc(C(=O)NNc3ncccn3)cc2N1	361245560	HBXRGLAFODFYTR-UHFFFAOYSA-N	315.358	1.668	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@@H]2C[C@@]23CCOC3)c1	364087177	QDWNTOXYCKGKJS-ZUZCIYMTSA-N	323.393	1.878	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccccc1F)N(C)CC(F)(F)F	279721541	UXLOUUMBCXBMLO-QMMMGPOBSA-N	321.274	1.469	50	20	DDGD	
Cc1ccc(C(=O)N2CC=C(C#N)CC2)cc1S(C)(=O)=O	271121698	ODRJNULZMYTNIW-UHFFFAOYSA-N	304.371	1.694	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)C[C@H]1CCCO1	270653622	AOZAMRLKEVHYBH-SNVBAGLBSA-N	310.375	1.201	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1cccc(F)c1[N+](=O)[O-]	279341425	OFBBBFPARHGOPL-UHFFFAOYSA-N	314.273	1.313	50	20	DDGD	
CC[C@H](CSC)NC(=O)NNC(=O)c1ccccc1OC	271692301	MCEAQBDTWVOSIF-SNVBAGLBSA-N	311.407	1.781	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(F)(F)c1ccc(OC)cc1	272592816	SGLIMMDULVOKIV-UHFFFAOYSA-N	301.293	1.480	50	20	DDGD	
CC(C)c1ccoc1C(=O)NNC(=O)CNC(=O)c1ccco1	283968556	OJHOCKXICCVHSU-UHFFFAOYSA-N	319.317	1.187	50	20	DDGD	
CS[C@@H]1CCCCN(S(=O)(=O)CBr)C1	374678626	LZXGJIJOYGYFDF-MRVPVSSYSA-N	302.259	1.886	50	20	DDGD	
COc1cccc(NNC(=O)[C@](C)(O)CCc2ccccc2)n1	283811925	RRGUISHJBWNQGU-QGZVFWFLSA-N	315.373	1.917	50	20	DDGD	
O=C(NNc1ccccc1F)C(=O)Nc1cc2n(n1)CCCC2	289332669	YNYMCBHHHAVUEC-UHFFFAOYSA-N	317.324	1.440	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNc1ncccc1F	286081048	UBAFYHNGLVQMLN-SECBINFHSA-N	305.357	1.893	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cccc(OC[C@H]2CCCO2)c1	286448585	SDRQLIAIDHYNKW-CYBMUJFWSA-N	308.334	1.587	50	20	DDGD	
CC1=C(C(=O)NNc2cc(Cl)nc(C)n2)SCCO1	288839851	PHQPVLFJSFZDLU-UHFFFAOYSA-N	300.771	1.876	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2nnc(C(C)C)[nH]2)n1	298115714	NDQKPCZTOWPFMZ-UHFFFAOYSA-N	304.358	1.161	50	20	DDGD	
C#CCN(C)CCCNC(=O)c1c(C)nn(CCCl)c1C	294068650	VSAZKHCJKRUXJY-UHFFFAOYSA-N	310.829	1.424	50	20	DDGD	
O=C(NNc1nnc[nH]1)C1(Cc2ccc(F)cc2)CCOCC1	298546770	XEOFVHFOSISGGB-UHFFFAOYSA-N	319.340	1.426	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	294310304	JHILMCJANIXTTQ-CYBMUJFWSA-N	321.377	1.204	50	20	DDGD	
C[C@H]1C[C@H](C)CN(CCCNC(=O)NNc2ncncc2F)C1	293131837	ZAUFIZUIKSXANX-RYUDHWBXSA-N	324.404	1.610	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)Cc1n[nH]c2ccccc12	806354525	CKBUSNZTPYRZLS-UHFFFAOYSA-N	323.356	1.365	50	20	DDGD	
CCOc1ccc(NNC(=O)C2(S(C)(=O)=O)CCC2)cc1	294301748	KGVKGGXRVKRVQC-UHFFFAOYSA-N	312.391	1.496	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCCC(F)(F)C1	800284021	YOCJRCPHBBOADF-DTWKUNHWSA-N	306.309	1.301	50	20	DDGD	
Cc1noc(CCCC(=O)NNC(=O)Nc2ccccc2)n1	801992075	XREZRQUPHJORMU-UHFFFAOYSA-N	303.322	1.554	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)[C@@H]1[C@H]2CCC[C@H]21	294707208	RILPVAZLPUSVPN-YABSGUDNSA-N	323.418	1.426	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	294351740	MATSCHNYXQIUGM-MFKMUULPSA-N	312.341	1.556	50	20	DDGD	
COc1ccc(COCCCC(=O)NNc2nnc[nH]2)cc1	293870211	IWPGMGDSROMIQO-UHFFFAOYSA-N	305.338	1.253	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)N(C)C)cc1Br	292884794	FGCJSKXERYPWSB-UHFFFAOYSA-N	320.212	1.989	50	20	DDGD	
CS(=O)(=O)c1ccc(C(=O)NNc2cccc(F)n2)cc1	804771302	QMKPFGJTFCWEIB-UHFFFAOYSA-N	309.322	1.381	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NC[C@H]1COc2ccccc21	812442882	FTJJXDCDZNSCCK-QMMMGPOBSA-N	317.267	1.445	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)COc2ccccc2F)CC1(F)F	817514029	WOFNHZBQDXBINU-GFCCVEGCSA-N	302.252	1.397	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)c2cccc(C#N)c2)cs1	815399233	OGOOCEOOLHOWHR-UHFFFAOYSA-N	313.338	1.897	50	20	DDGD	
CCOc1cccc(C=NNC(=O)N=c2cc[nH]cc2)c1O	815002804	RPWCYPVIFWGIBO-UHFFFAOYSA-N	300.318	1.763	50	20	DDGD	
COC(=O)c1cc(/C=C(\C#N)C(=O)[C@@H]2CCCOC2)cn1C	811692061	WVOCGQQAZKLSKB-FIKOHSHLSA-N	302.330	1.714	50	20	DDGD	
COCc1ccccc1/C=C(\C)C=NNC(=O)NCC(=O)OC	814226470	BSVMFTBQFIUYDU-PCDLVJHBSA-N	319.361	1.694	50	20	DDGD	
Cc1cc(F)c2nc(O)cc(C(=O)NNC(=O)CC3CC3)c2c1	819131707	MNCONMRLCAGTBL-UHFFFAOYSA-N	317.320	1.949	50	20	DDGD	
Cc1cc(Cl)cc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)c1	814782999	VMCPXJRDZRYGFW-NSHDSACASA-N	314.794	1.533	50	20	DDGD	
CCCNC(=O)NNC(=O)C1(c2ccc(N(C)C)cc2)CC1	815123225	ZYIHFYUFKWINAN-UHFFFAOYSA-N	304.394	1.525	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@H]2CCCSC2)cc1	810007288	GGWZPOYEVDZLFO-NSHDSACASA-N	323.418	1.398	50	20	DDGD	
CCC(=NNC(=O)C1CC1)c1ccccc1OCC(=O)N(C)C	814700598	YPAVJEYPYRSDMG-UHFFFAOYSA-N	317.389	1.794	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC[C@@H](N2CCOCC2)CC1	819658056	HQFUZRUUHCLBBU-SEWDUPMJSA-N	307.394	1.144	50	20	DDGD	
CCc1ccc(N2C[C@H](C(=O)NN(C)C3CC3)CC2=O)cc1	819641468	XATMRJUGVLIYSF-CYBMUJFWSA-N	301.390	1.727	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1ccc2c(c1)OCCO2	813465754	UEMWTCLZZPHFBV-UHFFFAOYSA-N	314.301	1.319	50	20	DDGD	
CC(C)[C@@H]1CC(=NNC(=O)[C@@H](C)CN2CCOCC2)CS1	814762601	DYCHPZQFUUPALW-JSGCOSHPSA-N	313.467	1.588	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)c1cc2c(s1)CCC2)OC	811969132	RTGABOJFPJVCFW-SNVBAGLBSA-N	311.407	1.606	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=CC1CCC2(CC1)OCCO2	815003248	KVWXXWIDMQFSEE-UHFFFAOYSA-N	304.350	1.544	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2ccc(Cl)cc2O)CC1(F)F	817710490	PEYLTWSPIVKCFV-NSHDSACASA-N	304.680	1.852	50	20	DDGD	
Cc1cc(C)n(CCC(=O)NNC(=O)CNc2ccccc2)n1	729514110	MABJGPVIAFZCIF-UHFFFAOYSA-N	315.377	1.150	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)c2ccc3ccccc3n2)cn1	728856373	OGGHBBWBCHCLLU-UHFFFAOYSA-N	316.320	1.686	50	20	DDGD	
CON1CCC(NC(=O)NNc2cccc([N+](=O)[O-])c2C)CC1	817805132	KORUHCUJPNKHQO-UHFFFAOYSA-N	323.353	1.555	50	20	DDGD	
CC(C)N1CCC[C@@H](CNC(=O)NNC(=O)C2CCCC2)C1	729619539	UJVLRPUICHRPGC-ZDUSSCGKSA-N	310.442	1.627	50	20	DDGD	
CC(=NNC(=O)C(C)(C)C)c1cccc(NS(C)(=O)=O)c1	729816782	SLXGZDOEPBWDOK-UHFFFAOYSA-N	311.407	1.944	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)CN1CCc2ccccc21	729513686	INPVKJGJUXDEHC-UHFFFAOYSA-N	324.384	1.309	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc(OCC2CC2)cc1	495408495	RYUYUMGNRRXJBX-UHFFFAOYSA-N	321.333	1.191	50	20	DDGD	
CCCNC(=O)Nc1ccc(CC(=O)NNC(=O)OCC)cc1	490967737	TXQGWNHSZVGXSX-UHFFFAOYSA-N	322.365	1.538	50	20	DDGD	
Cc1noc(C)c1[C@H](C)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	826002269	VNXIROZMGJKQKF-NMLBEHRDSA-N	310.354	1.108	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccn(CCc2ccccc2)n1	822800475	ZPLQOEWIAAJHFM-UHFFFAOYSA-N	315.377	1.480	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@@](C)(CO)C2CCCCC2)cn1	491161120	NSIVZIDIIMUGPX-QHIITQONSA-N	316.405	1.775	50	20	DDGD	
Cn1c(=NNC(=O)CC[C@H]2CCNC2)sc2ccccc21	826619104	WKGMZRFEBYEYLJ-NSHDSACASA-N	304.419	1.561	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccccc1	825595423	QSXVABKSIAOGPY-GZBFAFLISA-N	319.405	1.936	50	20	DDGD	
CCOc1cccc2c1OCC(C(=O)NN(CC)CCO)=C2	823846908	OPDBEGFZTDZCMZ-UHFFFAOYSA-N	306.362	1.207	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2cc(C3CC3)nn2C)c1	827021302	SFPGDHFUNFXERU-UHFFFAOYSA-N	304.375	1.742	50	20	DDGD	
O=C(NNc1cccc(F)c1F)c1sccc1-c1nn[nH]n1	823281350	RAQSVINQFRIPFD-UHFFFAOYSA-N	322.300	1.963	50	20	DDGD	
C[C@@]1(C(=O)NNC(=S)NCCc2cccs2)CC1(F)F	820165059	NWVYDDFVDADTFL-NSHDSACASA-N	319.402	1.831	50	20	DDGD	
C[C@]1(C(=O)NCC2CCS(=O)(=O)CC2)C[C@H]1Br	820102964	LKFAPUYBUWRSMN-KOLCDFICSA-N	324.240	1.101	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Cc1nnc(C)s1)c1ccccc1	827185037	LRJSPTVFOFRQPF-GFCCVEGCSA-N	318.402	1.730	50	20	DDGD	
CCOC(=O)NN=Cc1cc(C)c(OCC(=O)OC)c(C)c1	490576976	YMAXRWZOHOSGCL-UHFFFAOYSA-N	308.334	1.935	50	20	DDGD	
C=CCNC(=S)NNC(=O)C1=Cc2cccc(OC)c2OC1	725907161	BPXQJCWWYHPEQP-UHFFFAOYSA-N	319.386	1.152	50	20	DDGD	
CN(C)C(=O)C1CCC(C(=O)NNC(=O)NC2CCCC2)CC1	824342612	LVRINAGJLOIYKT-UHFFFAOYSA-N	324.425	1.154	50	20	DDGD	
CCOC(=O)NNC(=O)C(C)(C)c1ccc(OC)c(OC)c1	493377589	UJZWWAZPDYUYFA-UHFFFAOYSA-N	310.350	1.759	50	20	DDGD	
CCSCc1ccnc(NCc2cccc(B(O)O)c2)c1	585031791	JWTBJTFRVUGBTE-UHFFFAOYSA-N	302.208	1.627	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@@](C)(O)C2CCCCC2)cn1	491013067	SUYJMBXMLXILTL-XMCSSRMMSA-N	316.405	1.775	50	20	DDGD	
OB(O)c1ccccc1CNCCc1ccccc1C(F)(F)F	585018715	PVULAWAIYGOXCN-UHFFFAOYSA-N	323.123	1.718	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1CC(=NNC(=O)CO)c2ccccc21	495186905	GMXAVQZKMCYGJH-GFCCVEGCSA-N	319.361	1.469	50	20	DDGD	
COC(OC)C(=O)NNc1ccc(Br)c(F)c1	822037387	GLSRWRHOTSCNQK-UHFFFAOYSA-N	307.119	1.650	50	20	DDGD	
O=[N+]([O-])c1c(Br)cccc1N1CC[C@@H](B(O)O)C1	900966328	SQLZRESJIPADTE-SSDOTTSWSA-N	314.932	1.410	50	20	DDGD	
C[C@H](CNC(=O)c1ccc(B(O)O)c(F)c1)Cc1cccs1	584949568	FQDNZEVFAAIECN-JTQLQIEISA-N	321.182	1.176	50	20	DDGD	
CC1(C)CN(CCNC(=O)[C@@]2(C)C[C@@H]2Br)CCO1	906493639	MRIAPOGSYPVODH-GWCFXTLKSA-N	319.243	1.387	50	20	DDGD	
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NNC(=O)CCc1ccccc1	825089841	KXEFRBMOVBHTEG-ZIAGYGMSSA-N	304.390	1.970	50	20	DDGD	
C/C(=C(/F)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)C1CC1	908280712	QQKQLTSASCXRIX-AWPPVZKDSA-N	304.387	1.132	50	20	DDGD	
CCOC(=O)NNC(=O)C1CCC(NC(=O)C(C)(C)C)CC1	497065047	PMURDPNBTADNFK-UHFFFAOYSA-N	313.398	1.485	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCCCNc2ccccn2)cn1	491134550	RVOKJEQBDYBUKT-ZROIWOOFSA-N	310.361	1.340	50	20	DDGD	
O=C(Cc1ccccc1F)NN=C1C(=O)Nc2cc(F)ccc21	731320522	MISYISBTQIGBMN-UHFFFAOYSA-N	315.279	1.980	50	20	DDGD	
C[C@]1(C(=O)Nc2ncc(CCO)s2)C[C@H]1Br	908233070	SGWALUXAPZGUFK-XCBNKYQSSA-N	305.197	1.790	50	20	DDGD	
CCC1(C)CCC(NC(=O)c2cc(B(O)O)ccc2F)CC1	584959855	DWPHYMRPOWAFJG-UHFFFAOYSA-N	307.174	1.594	50	20	DDGD	
N#C/C(=C/c1ccc(OC(F)(F)C(=O)O)cc1)C(=O)NC1CC1	490611699	SNLYENJAWHFPMD-YFHOEESVSA-N	322.267	1.928	50	20	DDGD	
O=C(NC1CC1)c1ccc(C=NNC(=O)[C@@H]2CCCCO2)cc1	834989556	SZEGODJFQVLEBL-HNNXBMFYSA-N	315.373	1.598	50	20	DDGD	
CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)NN(C)C1CC1	496249051	TZXTWLFBTBZESU-NSHDSACASA-N	301.387	1.042	50	20	DDGD	
O=C(NC[C@H](c1ccccc1)C1CC1)c1cccc(B(O)O)c1	584991948	GOITZKZWHCYOMR-QGZVFWFLSA-N	309.174	1.290	50	20	DDGD	
C#C[C@H](CC)NC(=O)NNC(=O)c1ccc(Cl)cc1OC	491818162	KJTBKVQGPDIRCD-SNVBAGLBSA-N	309.753	1.704	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCCOc1ccc(Cl)c(F)c1	836598885	SKOGDHYXXNKQHD-UHFFFAOYSA-N	317.748	1.844	50	20	DDGD	
CC[C@@H]1OCCC[C@H]1c1nc(-c2ccc(B(O)O)cc2)no1	585055056	PQFYKAWGBGMLDO-OLZOCXBDSA-N	302.139	1.089	50	20	DDGD	
COC[C@@]1(CNS(=O)(=O)CCl)OCCc2ccccc21	831576753	JVKCAWWPHGXEMF-CYBMUJFWSA-N	319.810	1.217	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2C[C@H]2c2cccc(O)c2)n1	839695667	JUUDNOQCLNYIFT-QWHCGFSZSA-N	314.345	1.746	50	20	DDGD	
Cn1c(=NNC(=O)CC2(O)CCCC2)sc2ccccc21	735846407	GKGLKQIKPHUTLB-UHFFFAOYSA-N	305.403	1.867	50	20	DDGD	
CSSCCNC(=O)c1cc(C)n(NC(N)=O)c1C	908069449	NGVKKQNGDSAQIZ-UHFFFAOYSA-N	302.425	1.468	50	20	DDGD	
CNC(=O)C1CCC(NC(=O)[C@@]2(C)C[C@@H]2Br)CC1	906442572	JFXYHWUFDOTNSE-GPCLJDEGSA-N	317.227	1.581	50	20	DDGD	
CCCN1CCC[C@@H](C(=O)NNc2ccc(C(=O)OC)cn2)C1	907143943	KWVLPZGJTCYLKU-CYBMUJFWSA-N	320.393	1.433	50	20	DDGD	
CC(C)(C=NNC(=O)[C@H]1CCS(=O)(=O)C1)Oc1ccccc1	834937938	UZXNPDSSVAHHQW-LBPRGKRZSA-N	324.402	1.381	50	20	DDGD	
Cc1nc2c(s1)[C@H](NCc1ccc(B(O)O)cc1F)CCC2	585033442	FOVCPGSPLHTOSY-CYBMUJFWSA-N	320.198	1.438	50	20	DDGD	
C[C@H]1CCC[C@H](N2CCC(=NNC(=O)NCC(=O)O)CC2)C1	833606947	AZOVCIIQDKRSFQ-AAEUAGOBSA-N	310.398	1.401	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NOCCSC)c(F)c1	838575249	UBQWVMGWRUILPI-UHFFFAOYSA-N	317.342	1.533	50	20	DDGD	
CCOCC(=O)NN=Cc1cc(C)c(OCC(=O)O)c(C)c1	737161307	GYPKNEQMXSODMN-UHFFFAOYSA-N	308.334	1.253	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H](O)c1ccccc1C(F)(F)F	900386013	IRGMDWBUJDJDDU-SECBINFHSA-N	305.256	1.089	50	20	DDGD	
CCCN(C)CC(=O)NNC(=O)Cc1cccc2ccccc12	730088316	BPIQVBBZEMHFQG-UHFFFAOYSA-N	313.401	1.872	50	20	DDGD	
Cc1ccc(OC[C@@H](C)NC(=O)NNc2ccncn2)cc1	836261072	WPORHEGFHXPCBX-GFCCVEGCSA-N	301.350	1.879	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)c1cc2c(s1)CCC2	739679176	QYIFLMQEEIZTOS-UHFFFAOYSA-N	305.359	1.862	50	20	DDGD	
C[C@@H](CCCc1ccccc1)C(=O)Nc1cccc(B(O)O)c1	584911914	AQVNOTUCKXEQLY-AWEZNQCLSA-N	311.190	1.964	50	20	DDGD	
Cc1ncccc1C(=O)NNc1ccccc1S(C)(=O)=O	732304734	ZTGDNKAMFCJONL-UHFFFAOYSA-N	305.359	1.550	50	20	DDGD	
C[C@H]1CC(=NNC(=O)Cc2cn3ccccc3n2)c2nccn21	834963526	PNHPRBKCXIALEW-NSHDSACASA-N	308.345	1.559	50	20	DDGD	
C[C@@H](C(=O)O)n1cccc1C=NNC(=O)Cc1ccccn1	833406445	GNIOSNAUOIMQQC-NSHDSACASA-N	300.318	1.222	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCc1nnc(-c2ccsc2)o1	910175938	WBIHWYDJWDUMBB-VIFPVBQESA-N	310.379	1.075	50	20	DDGD	
CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)[C@@H]1CCCC[C@@H]1C	834956393	OBCJIAMCTNACTF-ZMLRMANQSA-N	303.428	1.243	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CC[C@H](CF)C2)cc(C#N)n1C	916123544	QAOOQDKBNQAEDZ-ASUWMBMTSA-N	300.337	1.930	50	20	DDGD	
O=C(NNc1ccc(F)cc1)[C@H]1CCCN1c1ncccn1	747353251	PXOVOCPICVVWEB-CYBMUJFWSA-N	301.325	1.728	50	20	DDGD	
C[C@H](Oc1cccc(C=NNC(=O)c2ccncc2)c1)C(=O)O	746677565	ZCNUCCAXWGNCJX-NSHDSACASA-N	313.313	1.697	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1	743845532	QSBMFKAQEOGQHV-AWEZNQCLSA-N	321.396	1.841	50	20	DDGD	
CCc1cccc(NC(=S)NNC(=O)N2CCOCC2)c1	745731035	XXBDKLOZIAPWBL-UHFFFAOYSA-N	308.407	1.492	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)n1C	749220184	UGWHZSDPYTUZDI-UHFFFAOYSA-N	304.325	1.747	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1ccc(C(=O)O)cc1	916364121	DBHQNGCGZGUSEN-ZDUSSCGKSA-N	317.389	1.957	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccccc1	843653392	NFJKTXVYBKFMCM-SNPRPXQTSA-N	304.390	1.999	50	20	DDGD	
CC[C@H](C(=O)NNc1cccc(Br)n1)[C@H](C)O	842264664	BIBDLXPFQDJYHP-YUMQZZPRSA-N	302.172	1.694	50	20	DDGD	
O=C(O)CC1(C(=O)NNc2ncnc3ccsc23)CCC1	844247392	IXMFKNURBPEPFW-UHFFFAOYSA-N	306.347	1.779	50	20	DDGD	
C[C@@]1(C(=O)N2CCC3(CCNC3=O)CC2)C[C@@H]1Br	913791159	QCBQFLRVDVUREW-JOYOIKCWSA-N	315.211	1.289	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)NC1CCC(C(=O)O)CC1	840992865	ZOHACZVOCPNFSM-UHFFFAOYSA-N	314.292	1.629	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)[C@@H]2CCCCO2)CCc2ccccc21	843600584	FTVYKDNQGDFXRE-WMLDXEAASA-N	302.374	1.607	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccccc1OCC1CC1	841126929	KRXNSRHAXNQFHT-UHFFFAOYSA-N	306.366	1.367	50	20	DDGD	
CC(CCc1ccco1)=NNC(=O)[C@@H](C)CN1CCOCC1	917029171	TXCAYJBOLRWMMC-ZDUSSCGKSA-N	307.394	1.673	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C2(C(=O)NC3CC3)CC2)cc1	749718305	ACPWERKCDDWFOM-UHFFFAOYSA-N	315.373	1.069	50	20	DDGD	
CN(C)c1nccc(NNC(=O)Cc2cn(C)c3ccccc23)n1	740103234	XRVGXLDXRXSZFX-UHFFFAOYSA-N	324.388	1.720	50	20	DDGD	
CC1(O)CCC(NC(=O)NNC(=O)Cc2ccc(F)cc2)CC1	749595392	HLKZVJUWFKXSJK-UHFFFAOYSA-N	323.368	1.392	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)NCc2ccc(Cl)cc2)C1	843862630	FHFRFNLCOBFYDS-SNVBAGLBSA-N	309.753	1.540	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCC[C@@H]1CCCN1	842005601	QSLOMGMADOKNIR-ZDUSSCGKSA-N	304.394	1.471	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C[C@@H](C)C(=O)c1ccccc1	843979928	QRVZXWDEXFEJGT-DYEKYZERSA-N	318.373	1.468	50	20	DDGD	
COc1ccc(C)cc1C=NNC(=O)[C@H](C)CN1CCOCC1	744762599	YKTSBOIFUMSVNH-CQSZACIVSA-N	319.405	1.422	50	20	DDGD	
COCCN(C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O	843882972	YKPNGIGLJYKOJR-UHFFFAOYSA-N	303.702	1.177	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H](C)NC(=O)c2ccoc2)n1	747981663	JUUIAEATYUKFKR-SSDOTTSWSA-N	323.740	1.293	50	20	DDGD	
CCCN(CCC)c1ccc(NC(=O)NNC(=O)CO)cc1	844797041	PMKUEZNGTQUORX-UHFFFAOYSA-N	308.382	1.458	50	20	DDGD	
CSC(C)(C)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	849988167	LTBQJSFKOBJUFI-VIFPVBQESA-N	304.412	1.253	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2nccnc2N)cc1C(F)(F)F	746894687	NUGAFSAIJSIVBD-UHFFFAOYSA-N	322.250	1.706	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1ccc2nnc(S)n2c1	848083256	REMCIENSZQBVNV-UHFFFAOYSA-N	305.190	1.894	50	20	DDGD	
CCC(CC)(CN)C(=O)NNc1nc(-c2ccncc2)no1	844181097	OAOQRQIWWGGDNI-UHFFFAOYSA-N	304.354	1.340	50	20	DDGD	
COCCN(C)NC(=O)c1nc(C)sc1Br	848055738	GRICQFXEWXECKJ-UHFFFAOYSA-N	308.201	1.437	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@H]1COC[C@@H]1C)c1ccccc1	926001378	YLGLCPCDGHKMLC-UBHSHLNASA-N	305.378	1.546	50	20	DDGD	
CCOCC(=O)NN=Cc1c[nH]nc1-c1c(F)cccc1F	755703378	HKASBKBADIDIOG-UHFFFAOYSA-N	308.288	1.842	50	20	DDGD	
CC[C@@H]1COCC1=NNC(=O)NCCNC(=O)OC(C)(C)C	853308449	JDHXAFXZIFCXFI-SNVBAGLBSA-N	314.386	1.223	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cnn(C)c2Cl)n1	857541024	DYRSTRZIPNPIJU-UHFFFAOYSA-N	301.137	1.582	50	20	DDGD	
COCC(=O)NNC(=O)Nc1nc2ccc(OC)cc2s1	755322806	VLPVGYIKVJVGDJ-UHFFFAOYSA-N	310.335	1.104	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NCC1(C)CC1	753017812	BUGFLOPXFDSQSY-SNVBAGLBSA-N	309.341	1.724	50	20	DDGD	
CC(C)CCO[C@@H]1CCN(C(=O)/C(C#N)=C/c2cnn(C)c2)C1	856528663	DLKXXOPPBGARPR-WPBGYSLVSA-N	316.405	1.991	50	20	DDGD	
C[C@@]1(CNC(=O)C2(S(C)(=O)=O)CCC2)C[C@@H]1Br	857389338	ZUTGQGDIYPBJII-WPRPVWTQSA-N	324.240	1.243	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CC(=O)NNC(=O)c1cccc(F)n1	856423296	QQCXJANTOMALBE-MRVPVSSYSA-N	320.324	1.780	50	20	DDGD	
Cc1onc(N)c1S(=O)(=O)NC[C@@]1(C)C[C@@H]1Br	856754060	BWFQHKMDZGOEQK-IMTBSYHQSA-N	324.200	1.017	50	20	DDGD	
C[C@@]1(CN2C(=O)[C@H]3CCCCN3C2=O)C[C@@H]1Br	857226900	BMULFTHUASKPBP-PTRXPTGYSA-N	301.184	1.977	50	20	DDGD	
CC(C)(C)OCCCNC(=O)NNC(=O)Cc1cccnc1	852059184	XCPAUJDKZCIITC-UHFFFAOYSA-N	308.382	1.160	50	20	DDGD	
CN1CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CCC1=O	855914100	GBHCSTGHUSXHIG-RAXLEYEMSA-N	301.321	1.423	50	20	DDGD	
COC(=O)NCCNC(=O)NNc1cc(Cl)ccc1C	922774460	AYYPXCXTJIIRQX-UHFFFAOYSA-N	300.746	1.631	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccn(Cc2ccccn2)n1	756646314	LEMYGHFXNDASOL-UHFFFAOYSA-N	314.349	1.279	50	20	DDGD	
CC[C@H](CN1CCOCC1)NC(=O)NNc1cccc(C#N)c1	925577130	ORTZUOSDKWBBOC-CQSZACIVSA-N	317.393	1.295	50	20	DDGD	
CN1CC[C@H]1CNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	928560455	VVMKFGAQVVDRKG-MEWQQHAOSA-N	301.228	1.760	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC([C@H]2CCCCO2)CC1	852592829	WOAIPPTVJPJDQK-CQSZACIVSA-N	311.426	1.071	50	20	DDGD	
COc1ccccc1C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	853387053	HPKIQBCMQXQPGI-HIFRSBDPSA-N	303.362	1.009	50	20	DDGD	
Cc1ccc(C)n1-c1ccc(C(=O)NNC(=O)c2cn[nH]c2)cc1	920430892	HKKVBJGRXGLEEG-UHFFFAOYSA-N	323.356	1.892	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1cc(C)[nH]c1C	920423970	JCUPPVDVODEVAS-UHFFFAOYSA-N	317.345	1.480	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NNc2ncc(F)cc2F)C1	857868706	AFGQHPFVRDCICP-XCBNKYQSSA-N	307.304	1.892	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](C)CN2CCC(C)CC2)o1	852605796	WNPQZGZLWGRIKX-LBPRGKRZSA-N	322.409	1.652	50	20	DDGD	
COCCCOc1cccc(C(=O)NNC(=O)C(C)C)c1C	929288985	YULLFIRFSOWXNQ-UHFFFAOYSA-N	308.378	1.827	50	20	DDGD	
COC(=O)CCC(C)=NNC(=O)Cn1cnc2ccccc21	756877473	RWHLFMREMPXKJK-UHFFFAOYSA-N	302.334	1.482	50	20	DDGD	
CN(C)[C@@H]1CCC[C@@H](NC(=O)NNc2ncc(Cl)cn2)C1	856877192	ZHRKYDSQTHZXCK-GHMZBOCLSA-N	312.805	1.629	50	20	DDGD	
CN(C[C@@H]1COCCO1)C(=O)/C(C#N)=C\c1ccc(O)cc1	855680774	CBYBSPYTLVPVDH-JEMSNHSXSA-N	302.330	1.173	50	20	DDGD	
CSc1cc(C(=O)NNC(=O)OCC(F)(F)F)ccn1	856024457	WCZFAPJXNRSOKF-UHFFFAOYSA-N	309.269	1.737	50	20	DDGD	
CC[C@@]1(C)CN(C(=O)NNC(=O)c2cccc(F)n2)CCO1	852708747	CBTLPZJOJSEBMJ-AWEZNQCLSA-N	310.329	1.076	50	20	DDGD	
CC(C)NC(=O)[C@H](C)NC(=O)NC[C@]1(C)C[C@H]1Br	856960432	PARXEBUQLQYSDK-SBMIAAHKSA-N	320.231	1.372	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@]2(C)CCOC2)c1	754352293	YMIIWTJKYUMBPC-MRXNPFEDSA-N	306.362	1.256	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1cccc2c1OCO2	757994652	HWMLIMVWKZHDLN-UHFFFAOYSA-N	300.274	1.277	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1sc(OC)nc1Cl	755578427	CECUIHCDARBPDD-UHFFFAOYSA-N	318.830	1.987	50	20	DDGD	
Cc1nnc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)s1	854196389	XVFJIFGJIBKKCG-UHFFFAOYSA-N	320.418	1.824	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cn(-c3ccccc3)nc2C)n[nH]1	755629098	YTKDTWDBYSLHCF-UHFFFAOYSA-N	322.372	1.905	50	20	DDGD	
O=C(NN=Cc1ccc(O[C@@H]2CCOC2)cc1)c1cc[nH]n1	853391642	VCKDBFRBLZWACS-CYBMUJFWSA-N	300.318	1.341	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2cnc3c(cnn3C)c2)c1	759312220	UZGMSVVUQFOXRQ-UHFFFAOYSA-N	315.308	1.873	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NC[C@@H](C)S(C)(=O)=O)c(C)c1	754676711	UJMVAAWAKPSHHN-GFCCVEGCSA-N	313.423	1.671	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)c1ccnc(N2CCCC2)n1	857533154	KMKBLGYCAMYGQR-UHFFFAOYSA-N	320.303	1.507	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cn2ccnc2C)c1C	855624208	FMJFMLOEUKYFJY-UHFFFAOYSA-N	302.334	1.430	50	20	DDGD	
Cc1cccc(NNC(=O)CNC(=O)CC2CCCCC2)n1	862524382	ZFGWXYVEWXWIJF-UHFFFAOYSA-N	304.394	1.920	50	20	DDGD	
Cn1cc(N2C[C@H](C(=O)NNc3ccccc3F)CC2=O)cn1	860314033	YTUVBTYNIMRIBO-SNVBAGLBSA-N	317.324	1.055	50	20	DDGD	
C[C@@H](NNC(=O)C[C@@H]1C(=O)Nc2ccccc21)C(F)(F)F	862308530	FARIQLARXFFLAY-APPZFPTMSA-N	301.268	1.684	50	20	DDGD	
CN(C)CC1(CNC(=O)NNC(=O)C2CCCC2)CCCC1	760176069	YCUIANQGOUUEIV-UHFFFAOYSA-N	310.442	1.629	50	20	DDGD	
COC1(C(=O)NNC(=O)c2cccc(C)n2)CCCCCC1	935752686	AJPWBNFTDQKEHC-UHFFFAOYSA-N	305.378	1.890	50	20	DDGD	
N#C/C=C(\c1ccc(F)cc1)N1CC[C@H](CS(N)(=O)=O)C1	932951564	JVRBYSKORUZKGY-MUKINBEESA-N	309.366	1.301	50	20	DDGD	
Cc1csc(C(=O)NNS(=O)(=O)N2CCC[C@@H]2C)c1	863413360	GSSSDPABOJPJSN-VIFPVBQESA-N	303.409	1.020	50	20	DDGD	
CC[C@@H](C)CC[C@@H](O)Cc1nc(-c2cccc(B(O)O)c2)no1	867055450	HWAOBCUJKMJENT-BXUZGUMPSA-N	318.182	1.146	50	20	DDGD	
Cc1nc(C(=O)NNc2ncc(F)cn2)nn1-c1ccccc1	760907653	BDMJJXMBLABYGR-UHFFFAOYSA-N	313.296	1.262	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1ccc2occc2c1	861804031	BXMPXGIEEDYMMR-UHFFFAOYSA-N	317.345	1.955	50	20	DDGD	
CC(C)(C)c1ccccc1S(=O)(=O)NNC(=O)c1cn[nH]c1	863414125	SAZCEUNNRPFEBV-UHFFFAOYSA-N	322.390	1.331	50	20	DDGD	
CCCC(=NNC(=O)[C@H]1CCC(=O)N1)c1ccc(OC)cc1	863150347	SHKUANLNQYGPPT-CQSZACIVSA-N	303.362	1.594	50	20	DDGD	
Cc1cc(=NNC(=O)c2cc3c(C)nn(C)c3nc2C)cc[nH]1	862509729	SLLGIICQJNMWKX-UHFFFAOYSA-N	310.361	1.467	50	20	DDGD	
Cc1oc(C(=O)NC[C@@]2(C)C[C@@H]2Br)cc1CO	869356059	CNDQLNJZVDMUPY-CMPLNLGQSA-N	302.168	1.984	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1csc([C@@H]2CCCO2)n1	760914154	HABATJVNMJMFDP-VIFPVBQESA-N	309.326	1.681	50	20	DDGD	
CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)NNC(=O)CO	764421563	MTCHSUKBSNNEBA-UHFFFAOYSA-N	321.377	1.012	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)C(=O)Nc1cccc(Cl)c1	764069587	YHOFGGNIRASQSV-UHFFFAOYSA-N	309.753	1.616	50	20	DDGD	
COc1ccsc1C=NNC(=O)CNC(=O)c1ccco1	764683952	ZKGGNHYZYMXFDU-UHFFFAOYSA-N	307.331	1.230	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=C2C[C@@H](C)N(C)C2)n1	761792237	CRAQIFZUUVREIU-LLVKDONJSA-N	307.423	1.382	50	20	DDGD	
COCCOCC(=O)NN=Cc1cn[nH]c1-c1ccc(C)cc1	872403925	YNCSVTIFUMUBDN-UHFFFAOYSA-N	316.361	1.498	50	20	DDGD	
O=C(CCOCC(F)F)NNc1cncc(Br)c1	1116763757	LXRMFLZZIFRTPA-UHFFFAOYSA-N	324.125	1.959	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874953231	YLZKOLHWKYNWNG-OAHLLOKOSA-N	324.450	1.621	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NNC(=S)NCC1CCC1	1118775848	JTJDELSEIUHCNW-TUAOUCFPSA-N	312.483	1.543	50	20	DDGD	
CN(C)c1cnc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cn1	779674583	KTZNHMVFWHXYHF-UHFFFAOYSA-N	302.294	1.208	50	20	DDGD	
COC(=O)Cc1cccc(C(=O)NNc2cccc(OC)n2)c1	779063235	DFLALKJCWCDMML-UHFFFAOYSA-N	315.329	1.563	50	20	DDGD	
Cc1cc(S(=O)(=O)N2CC=C(C#N)CC2)ccc1C(=O)O	871934818	MGYVMANNROYUTD-UHFFFAOYSA-N	306.343	1.538	50	20	DDGD	
C[C@H](CO)CCCNC(=O)NNC(=O)c1ccccc1Cl	1116389749	ADNGHGLFVXIMMO-JTQLQIEISA-N	313.785	1.693	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2ccncc2)nc1C	778428948	FXAJGIOOGWHXKR-UHFFFAOYSA-N	301.306	1.114	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])cc1F	777869305	HDNVYZNIZGYJMP-QQCYMQAYSA-N	307.281	1.792	50	20	DDGD	
O=C(C[C@@H]1CCS(=O)(=O)C1)NNc1cccnc1Cl	1116233742	BVYSGALDDCILNY-QMMMGPOBSA-N	303.771	1.003	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc2c1CCN2C(C)=O	879230964	VEPJFWPZGOTZHZ-UHFFFAOYSA-N	306.366	1.210	50	20	DDGD	
C=CCOc1cccnc1C(=O)NNC(=O)NC1CCCC1	775529998	PNKXUOWTXWIGLQ-UHFFFAOYSA-N	304.350	1.533	50	20	DDGD	
N#CSCCCNC(=O)c1cn(Cc2ccccc2)nn1	773587499	WSAVEHSZHARRES-UHFFFAOYSA-N	301.375	1.661	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1CC(c2cccc(F)c2)=NO1	887142131	XEVQPEGXDFTJSL-CQSZACIVSA-N	317.320	1.270	50	20	DDGD	
CC(C)(O)CCNC(=O)NNC(=O)c1cc2c(s1)CCC2	773688571	FVHCZBOKASCTBM-UHFFFAOYSA-N	311.407	1.342	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H](C[C@H]2CCOC2)C1	773698989	FMAISQDWDCNSPR-BFHYXJOUSA-N	311.426	1.071	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(CC(C)C)cc1	771948954	KNTXXKVCCZGDGS-LBPRGKRZSA-N	320.389	1.988	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CCc1ccccn1	772063807	JYKDXTMXWQRFMR-GFCCVEGCSA-N	321.377	1.139	50	20	DDGD	
O=C(NNc1ccc(F)cc1Cl)[C@@H]1CCCS1(=O)=O	885138671	GUJNFUZFTSVASL-JTQLQIEISA-N	306.746	1.499	50	20	DDGD	
CN(C)c1ccc(F)cc1NC(=O)NNC(=O)[C@@H]1CCCCO1	880936938	CTFYOBXNLUHLHG-ZDUSSCGKSA-N	324.356	1.614	50	20	DDGD	
Cc1noc(C2CCN(S(=O)(=O)CCCCl)CC2)n1	881804401	DPFGNULSJSCIBP-UHFFFAOYSA-N	307.803	1.516	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H]1CCC[C@H]1OC	1120487872	KDFQUEZTABHQMP-ZYHUDNBSSA-N	323.418	1.828	50	20	DDGD	
C=CCCSCCNC(=O)NNC(=O)C1CCOCC1	883718755	SPNCXDPSEDNEQN-UHFFFAOYSA-N	301.412	1.053	50	20	DDGD	
CCC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1)c1cn[nH]c1	788977521	PUZRBRZOJCWDDM-UPJWGTAASA-N	321.425	1.385	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cccc(OC)n2)cn1	783611554	AHZYTHFNJZSUEH-UHFFFAOYSA-N	302.290	1.029	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2c[nH]cc(C)c2=O)c1	781039579	ZMPWABIJZWADJI-UHFFFAOYSA-N	301.302	1.227	50	20	DDGD	
COCCC1(C=NNC(=O)C(=O)N2CCCC2)CCCCC1	780219389	OISOPGQZCVAFJM-UHFFFAOYSA-N	309.410	1.698	50	20	DDGD	
COC(=O)c1cn(CC(=O)NN=c2cc[nH]cc2)c2ccccc12	780757321	YSCVCWQWLLUOCV-UHFFFAOYSA-N	324.340	1.388	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNc2cc(C)ncn2)cc1	783940361	QOCFDUPMVRVIGH-UHFFFAOYSA-N	315.333	1.266	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C2(SC)CCC2)cc1	787866125	MJRQXQJIRPWPOT-UHFFFAOYSA-N	323.418	1.540	50	20	DDGD	
CN(C)Cc1cccc(NC(=O)C(=O)NNc2ccccn2)c1	784797918	KCGIKLCGOKBXKX-UHFFFAOYSA-N	313.361	1.225	50	20	DDGD	
C=C1CCC(C(=O)NNC(=O)COc2ccccc2O)CC1	896258936	PFYCNDYRQDFSAM-UHFFFAOYSA-N	304.346	1.665	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)Nc1ccc(F)cc1	796656427	SZWAINXAGRWJQI-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)c2ccc(O)cc2)on1	792883938	JDGKWVYOTUMJHS-UHFFFAOYSA-N	303.274	1.321	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2csnn2)c2ccccc2n1	799006872	LKDOCHGEHKTKJQ-UHFFFAOYSA-N	313.342	1.470	50	20	DDGD	
CSc1ccc(CCNC(=O)NNC(=O)c2ccc[nH]2)cc1	798116754	OPLPPLRCAGEADW-UHFFFAOYSA-N	318.402	1.923	50	20	DDGD	
CCC[C@@H](CC)S(=O)(=O)NNC(=O)c1ccccc1O	798247112	PBIGCOGCWSCKPG-SNVBAGLBSA-N	300.380	1.535	50	20	DDGD	
COc1ccc(NNC(=O)Cc2ncccc2F)c([N+](=O)[O-])c1	792239486	GILLJTJTJGGXER-UHFFFAOYSA-N	320.280	1.823	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(C(F)(F)F)cc1O	798306433	HHXDICNXBZOMLS-UHFFFAOYSA-N	319.308	1.706	50	20	DDGD	
Cc1cc(C(=O)N2CC[C@@H](B(O)O)C2)c(Br)s1	585064605	ABIGYKQJMNVTLO-SSDOTTSWSA-N	318.001	1.508	50	20	DDGD	
O=S(=O)(CBr)NCc1cccc2c1OCC2	692934223	HYRAGNNTJDTCAL-UHFFFAOYSA-N	306.181	1.393	50	20	DDGD	
CN(NC(=O)CCOc1cc(Cl)ccc1Cl)C(N)=O	1319886993	CNXIIZMFOUTRMS-UHFFFAOYSA-N	306.149	1.804	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cccc(Cl)c1[N+](=O)[O-]	1318946018	RBTRIMJNYFVRTQ-UHFFFAOYSA-N	316.770	1.766	50	20	DDGD	
C[C@H]1CC/C(=C\C(=O)NNC(=O)c2n[nH]c3c2CCCC3)C1	1319019726	BPCDHZUQPGGVAG-SPQRFVMMSA-N	302.378	1.796	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)NCC2CCC2)C[C@@H]1Br	1328935356	PSSXFAOGQXZGRN-CABZTGNLSA-N	303.200	1.192	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(C)n(CC3CC3)c2C)n[nH]1	1324050266	NYKMQRKWWQHFHS-UHFFFAOYSA-N	315.377	1.621	50	20	DDGD	
C[C@@]1(CNC(=O)N2CC(O)(C3CC3)C2)C[C@@H]1Br	1328572675	HDNLKLUXLZCBQW-ONGXEEELSA-N	303.200	1.326	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1ccnn1C[C@H]1CCOC1	1320717619	MHPMTNMYWMWULU-LLVKDONJSA-N	321.381	1.263	50	20	DDGD	
O=C(NNC(=O)C1Cc2ccccc2C1)c1n[nH]c2c1CCCC2	1320893821	HMYWRKDMFBSZPU-UHFFFAOYSA-N	324.384	1.465	50	20	DDGD	
Cc1cc(C=NNC(=O)c2cc(Br)c[nH]2)ncn1	1324883477	PEJJXQCWYMGMKN-UHFFFAOYSA-N	308.139	1.640	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CC2CC(F)(F)C2)c1O	1324677146	SXWGDRANOJYCAJ-UHFFFAOYSA-N	314.288	1.597	50	20	DDGD	
C[C@@H]1CC[C@H](CNC(=O)NNC(=O)c2ccccc2Cl)O1	1324699974	GRIASJOOKWHEJN-NXEZZACHSA-N	311.769	1.852	50	20	DDGD	
Cc1cccc(OC(F)F)c1NC(=O)NNC(=O)CCO	1325503137	AJHHCBXMLPIAJT-UHFFFAOYSA-N	303.265	1.132	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc2c(c1)CN(C(C)=O)C2	1262016138	LDIHPOSXYCJVOY-UHFFFAOYSA-N	306.366	1.163	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccccn2)c(Cl)n1	1262671125	QWZKXWNCXIVQFZ-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc(C(F)(F)F)ccn1	1350573603	MXLPTJSZMPLTSF-UHFFFAOYSA-N	306.313	1.618	50	20	DDGD	
O=C(NNC(=O)c1nc(C2CC2)cs1)OCC(F)(F)F	1520337530	FRKFJCCIVZEVQU-UHFFFAOYSA-N	309.269	1.954	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1cc(C(=O)O)cs1	1608479721	VAPUDIZYHQZVQZ-UHFFFAOYSA-N	305.315	1.913	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)N[C@@H]1CCn2ccnc21	1601557092	QUFUVQLHGFCKLY-LLVKDONJSA-N	319.296	1.492	50	20	DDGD	
C[C@@H](Cn1ccnc1)NC(=O)NNc1cccc(C(=O)O)c1	1604247140	MLIIKABITIHWDE-JTQLQIEISA-N	303.322	1.296	50	20	DDGD	
Cc1cnc(NC(=O)C(=O)NNc2cccc(C(=O)O)c2)s1	1607910678	RYLQWFBWTJNOOI-UHFFFAOYSA-N	320.330	1.232	50	20	DDGD	
CC[C@H](NNC(=O)c1ccc(Br)s1)C(=O)O	1609930231	FHWAQFRXIGZTCU-YFKPBYRVSA-N	307.169	1.608	50	20	DDGD	
Cc1sc(C(=O)NNc2cccc(C(=O)O)c2F)nc1O	1600866855	WOLQGHSLRPZFGM-UHFFFAOYSA-N	311.294	1.751	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cccc1C(=O)O	1600053393	CNBZJBAJLUJUAT-UVHGVLLISA-N	317.345	1.495	50	20	DDGD	
Cc1ccc(NNC(=O)Nc2cc(C(=O)O)nn2C)cc1F	1607810232	VKMHCCSRINMDEO-UHFFFAOYSA-N	307.285	1.714	50	20	DDGD	
O=C(/C=C\c1ccncn1)NNc1cccc(F)c1C(=O)O	1601242698	DZAFCYRIVVZLNG-PLNGDYQASA-N	302.265	1.470	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1cc(C(=O)O)co1	1600575655	LSVQZULGAOOJDR-UHFFFAOYSA-N	302.286	1.290	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNc2ccc(C(=O)O)cn2)n1	1600597921	IZNKIULHTVVIMN-SECBINFHSA-N	303.322	1.064	50	20	DDGD	
O=C(Cc1ccc(C(=O)O)cc1)NNC(=O)CC1CCCC1	1610673995	IEHYGSYYXPHMOB-UHFFFAOYSA-N	304.346	1.655	50	20	DDGD	
C#CC(=O)N1CC[C@H](CNC(=O)[C@@H](F)Cl)[C@@H]1c1cccnc1	1808322130	PTGXAGVNWAYSCR-KWCYVHTRSA-N	323.755	1.255	50	20	DDGD	
C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)Br	1801966001	BONGKZMJMVSBCS-CHWFTXMASA-N	313.195	1.041	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](N)Cc2cc3ccccc3o2)ncn1	1579635642	JIUSDJDAUAADDR-ZDUSSCGKSA-N	311.345	1.544	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)C(C)(C)F)C2	1845164092	KOIUJIGWZFVNBS-JTQLQIEISA-N	304.793	1.955	50	20	DDGD	
N[C@@H]1CCCCC[C@@H]1C(=O)NNC(=O)c1c[nH]c2ccccc12	1580367952	HCSLWPWNBUVDBZ-GXTWGEPZSA-N	314.389	1.837	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NNC(=O)Nc2ccccc2C(=O)O)O1	1594215866	KHRROCNGPYDLHY-LDYMZIIASA-N	307.306	1.105	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc[nH]n1	1847865970	WYDIWBINZNWTRR-WXHSDQCUSA-N	324.812	1.633	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2(C(=O)O)CCCCC2)cc1	1594078518	FHTCLYNUEXYOPG-UHFFFAOYSA-N	320.345	1.491	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)c2cc(C)c(-c3nn[nH]n3)cn2)c1	1592139170	UARJUWKSYGCRBW-UHFFFAOYSA-N	323.360	1.944	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2(C(=O)O)CCC2)c1F	1593899265	WVRAUKNXNMCYFG-UHFFFAOYSA-N	310.281	1.310	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C/c1c(F)ccc(C(=O)O)c1F	1776946046	HDEUZENEBBQIKF-FNORWQNLSA-N	301.270	1.962	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)C3CC3)CCO2)C1	1781224719	ZMHNASDYQQTRDH-WFASDCNBSA-N	314.813	1.244	50	20	DDGD	
C[C@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl	1796810262	RXNMUUJFCHAQLM-GENCIFFESA-N	308.806	1.477	50	20	DDGD	
Cn1cc(/C=C/C(=O)NNC(=O)c2c[nH]c3ccccc23)cn1	15426546	WYFZIIJVDXYDOZ-VOTSOKGWSA-N	309.329	1.376	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2	17820233	XAFKPSZPWXGJCF-VIFPVBQESA-N	321.402	1.926	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1cccc(F)n1	160815513	ICKGMHNSKBIKFV-UHFFFAOYSA-N	317.320	1.623	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)c2cc(C)n[nH]2)c1C	160946219	OAVZFBQTAJRPCC-UHFFFAOYSA-N	304.354	1.098	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=O)c2cc(C)n[nH]2)c1C1CC1	159540983	FJKFOXKYRQYZOS-UHFFFAOYSA-N	316.365	1.277	50	20	DDGD	
CC[C@@H](NS(=O)(=O)c1ccc(CCCl)cc1)[C@H](C)O	387363566	WPJFGPNLEDGEKR-GXFFZTMASA-N	305.827	1.906	50	20	DDGD	
COCCCOCC(=O)N(C)NC(=O)OCc1ccccc1	862290192	QENSKXDLCFSZAR-UHFFFAOYSA-N	310.350	1.339	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)c2ccccn2)c(C)c1	7386065	CFSJEHCHGYDPMB-UHFFFAOYSA-N	305.359	1.322	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccccc1F)c1ccccc1F	7428861	ZDIYVZHOBXJMNL-UHFFFAOYSA-N	312.297	1.588	50	20	DDGD	
Cc1nnc(NNC(=O)CCC(=O)c2cccs2)nc1O	22239382	YGITUERMROCJOS-UHFFFAOYSA-N	307.335	1.053	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2ccnc(-n3cncn3)c2)c1	177368230	KYCQFIDDJOSGDR-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
Cc1cc(C)c2c(c1)N(CC(=O)NNC(=O)C1CC1)CCC2	112979786	NGUWPMAXBHXMGO-UHFFFAOYSA-N	301.390	1.613	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)CCOc1ccccc1	109825183	HFSPUECXNPKONQ-CQSZACIVSA-N	321.421	1.579	50	20	DDGD	
CSCCNC(=S)NNC(=O)/C=C(\C)c1ccccc1	179546361	BWNBTJYRDXRUTG-ZHACJKMWSA-N	309.460	1.948	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccc(N(C)C)cc2)nn1	106253678	KXWHUHCYXVHRCH-UHFFFAOYSA-N	300.366	1.677	50	20	DDGD	
Cc1csc([C@@H](NC(=O)NNC(=O)c2ccc[nH]2)C2CC2)n1	175834995	YBBMQOBDUGERQO-NSHDSACASA-N	319.390	1.875	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)C(=O)c1ccc(Cl)cc1	175791163	SEIZKTSPCSYFRV-UHFFFAOYSA-N	317.732	1.308	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NNC(=O)[C@@H]2C[C@H]2C)[nH]n1	170969146	VSFOZFVPWPLVQY-MWLCHTKSSA-N	314.345	1.502	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc(N(C)C)cc1	67431612	XORZEBCGERHXDT-UHFFFAOYSA-N	313.357	1.836	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@H]1C(=O)NNc1ccc(Cl)nn1	172441637	XKVJWNPLRQKUMP-AMIZOPFISA-N	320.736	1.802	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)c1cccc(Cl)c1)C1CC1	178735928	XHINZLVGCPSICE-GFCCVEGCSA-N	311.769	1.709	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)NNc1ccccn1	176535796	YPRDVAGISXGNMI-UHFFFAOYSA-N	311.301	1.799	50	20	DDGD	
N#CC(C#N)=CNCC1CCN(S(=O)(=O)C(F)(F)F)CC1	66369863	BBIAPTAUSPEKGV-UHFFFAOYSA-N	322.312	1.069	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CC2CCCC2)ccc1[N+](=O)[O-]	171298894	LHFZBWSXZTUEJZ-UHFFFAOYSA-N	321.333	1.945	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cnc(-c3ccco3)s2)cn1	172082145	CXPDWUVAIRHHRF-UHFFFAOYSA-N	317.330	1.211	50	20	DDGD	
C#CCOc1ccc(C(=O)NNC(=O)NC2CCCCC2)cc1	172817502	USRVJUJCCVSDTF-UHFFFAOYSA-N	315.373	1.975	50	20	DDGD	
CC(C)[C@@H](C)C(=O)NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1	171977937	GALOKBTWEGCYHD-SECBINFHSA-N	320.397	1.610	50	20	DDGD	
COc1ccc2nc(NNC(=O)[C@@H]3CCC(=O)N3)c(C)cc2c1	183163646	PIADKKIADHZPTQ-ZDUSSCGKSA-N	314.345	1.274	50	20	DDGD	
N#C/C(C(=O)Cn1cnnc1C#N)=C1/Nc2ccccc2S1	213496447	ZIQQTBLUKCTDDZ-NTEUORMPSA-N	308.326	1.672	50	20	DDGD	
O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc[nH]1	122885291	LTQYZZDUHBBZON-UHFFFAOYSA-N	308.681	1.651	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2c(C)noc2C)cc1	72689507	FSAAMTHQAARNEY-UHFFFAOYSA-N	302.334	1.473	50	20	DDGD	
CN(NC(=O)C1CCN(c2nc3ccccc3o2)CC1)C(N)=O	181069793	LMMJBLDBRWIDPM-UHFFFAOYSA-N	317.349	1.086	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1ccc(N2CCCC2)nn1	128551321	AIBUUEKEYMXKAL-UHFFFAOYSA-N	318.768	1.882	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@H](C(C)C)N(C)C)c1	129429948	PQVRSMVQNNLINW-HNNXBMFYSA-N	307.394	1.107	50	20	DDGD	
Cc1noc(C2CC2)c1NC(=O)NNC(=O)c1cnn(C)c1	129803949	GYXQOBIICFTUNZ-UHFFFAOYSA-N	304.310	1.060	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1cc(C)on1	73070819	SOBWEEWSKDPANQ-UHFFFAOYSA-N	309.709	1.720	50	20	DDGD	
Cc1nc(CNC(=O)NNc2nc3ccccn3n2)sc1C	189387616	GAJCSQUKLIXWQN-UHFFFAOYSA-N	317.378	1.629	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)COc2cc(C)cc(C)c2)[nH]n1	122427210	FOSBTBFFUMYPOV-UHFFFAOYSA-N	316.361	1.429	50	20	DDGD	
CN(NC(=O)c1cn(-c2ccccc2)nc1C(C)(C)C)C(N)=O	181075429	AAGUCJDFNRTRRC-UHFFFAOYSA-N	315.377	1.825	50	20	DDGD	
COCCc1ccccc1NC(=O)NNC(=O)c1cnn(C)c1	189447979	SVZVTYXPIVGALK-UHFFFAOYSA-N	317.349	1.076	50	20	DDGD	
COc1ncccc1NC(=O)C(=O)NNc1ccc(F)cc1	181369269	FBIPGTSQSBXSTC-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
COc1c(C)ccc(NC(=O)NNC(=O)c2cnn(C)c2)c1C	183668676	VNBRUZVZYAAACX-UHFFFAOYSA-N	317.349	1.512	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@H](c2ccn[nH]2)C1)c1ccccc1	180749859	QJAUCVGCGZNEPM-ZDUSSCGKSA-N	313.361	1.644	50	20	DDGD	
CC(C)S(=O)(=O)c1ccccc1C(=O)NNC(=O)C1CC1	78763554	DZFMVZSBTQPJHO-UHFFFAOYSA-N	310.375	1.040	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl	131689881	BAIZXFNHZGFZLP-UHFFFAOYSA-N	316.688	1.688	50	20	DDGD	
CC(C)NC(=O)CN(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	188078488	ZYGWTYOBDCYFIL-JYRVWZFOSA-N	301.346	1.282	50	20	DDGD	
COc1nccnc1NNC(=O)COc1ccc(C)cc1C	131940721	NWFPEQZVAYTXKU-UHFFFAOYSA-N	302.334	1.624	50	20	DDGD	
COc1nccnc1NNC(=O)CCc1ccc(F)cc1F	132073353	KGZRCDYLVCKMBO-UHFFFAOYSA-N	308.288	1.839	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cc(C)n[nH]1)c1ccc(OC)cc1	181726732	KGKACRNVNXFYNV-ZDUSSCGKSA-N	316.361	1.682	50	20	DDGD	
CC(C)CN1CCC[C@H](CNC(=O)NNc2ncccn2)C1	130920219	NFZKLZHARACKTJ-CYBMUJFWSA-N	306.414	1.471	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cscc2C)nc(C)n1	130454275	WFQKXVRZFVXKEK-UHFFFAOYSA-N	305.363	1.545	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(-c3ccco3)on2)o1	84291702	WGRPZKSIFOGITE-UHFFFAOYSA-N	301.258	1.911	50	20	DDGD	
C[C@@H](O)CCCNS(=O)(=O)c1ccc(CCCl)cc1	228069517	OXYSOHLRLQVDQM-LLVKDONJSA-N	305.827	1.907	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)CC(C)(C)C)C(C)(C)CN(C)C	85366500	JZFPXKHMAZWIBK-NSHDSACASA-N	300.447	1.729	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@H]2CCCc3cccnc32)n1	192891731	YGXFNXKHDUSPPA-VIFPVBQESA-N	318.768	1.670	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCCOCC(F)F	191627146	JGBYTNZOZQNYPI-UHFFFAOYSA-N	316.308	1.612	50	20	DDGD	
COc1ccc(OC)c(CCNC(=O)NNc2ccccn2)c1	97216545	OJDOJRUPTUPBHS-UHFFFAOYSA-N	316.361	1.968	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(C(C)(C)C)on1	94121430	OYBKFOLHUFOQMI-UHFFFAOYSA-N	316.452	1.444	50	20	DDGD	
COCCC1(CNC(=O)NNc2nccc(OC)n2)CCC1	268558571	ROATWEZAXULKTI-UHFFFAOYSA-N	309.370	1.318	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccccc1OC)N(CC)CC	265442946	HQMJTTZWCHXDLB-ZDUSSCGKSA-N	307.394	1.577	50	20	DDGD	
COc1cccc(O[C@@H](C)CNC(=O)NNc2ncccn2)c1	266777913	JXBJNTJOKBAVLG-NSHDSACASA-N	317.349	1.579	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H]2CCN3CCCC[C@@H]23)n1	266926473	DMBCYRMSZWZUTH-RYUDHWBXSA-N	320.397	1.047	50	20	DDGD	
Cc1nnc(SCCC(=O)NNC(=O)OC(C)(C)C)[nH]1	266814349	XAPNQBBFNUHLOH-UHFFFAOYSA-N	301.372	1.151	50	20	DDGD	
COc1ccc(NNC(=O)CSC[C@H]2CCCCO2)nc1	275424291	AIFQIIMKPMZFNZ-GFCCVEGCSA-N	311.407	1.836	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@H](C)CN2CCCC2)n1	279827771	GSLGCMHIPCGYBO-LBPRGKRZSA-N	319.409	1.066	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Cc1ccccc1OC	276515997	FQDRJVVYRKXCJE-UHFFFAOYSA-N	324.377	1.174	50	20	DDGD	
CC(F)(F)CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	277481465	CLICCULYJJDHRS-JTQLQIEISA-N	300.261	1.019	50	20	DDGD	
Cc1ccccc1-c1noc(C)c1C(=O)NNC(=O)N(C)C	279751501	YQFDNMALQXOAEN-UHFFFAOYSA-N	302.334	1.874	50	20	DDGD	
CC(C)[C@@H]1C[C@H](CC(=O)NNC(=O)c2cnn(C)c2)CCO1	273204837	OQECXXRZDRHVGW-YPMHNXCESA-N	308.382	1.022	50	20	DDGD	
CC(C)=CCNC(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C	276799876	RZRBZLGJTABCGW-JTQLQIEISA-N	314.386	1.196	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H]2CCO[C@H](C)C2)c1	271835645	AECSFWQZIMOSRC-KGLIPLIRSA-N	320.389	1.645	50	20	DDGD	
CC1(C)CN(CC(=O)NNC(=O)c2ccc(F)cc2)CCCO1	377387991	CVEUFIXMMFGCGU-UHFFFAOYSA-N	323.368	1.088	50	20	DDGD	
C[C@H](Oc1ccc(C=O)cc1)C(=O)NNC(=O)NC1CCCC1	285229564	VIUQUEJENHWJBD-NSHDSACASA-N	319.361	1.539	50	20	DDGD	
C#CCN(CC#N)C(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C	281038808	DBVZABTVYYLSJQ-SFQUDFHCSA-N	324.384	1.644	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)[C@H]2CCCc3sccc32)CC1	377204645	VESNPTOMURSGBI-LBPRGKRZSA-N	322.434	1.156	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CC[C@H](OC)C[C@H]1C	282009545	XYENADVZRKQYQH-NEPJUHHUSA-N	321.377	1.549	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCCC2(O)CCC2)c1	284182948	XUKPBPAKHJHBMA-UHFFFAOYSA-N	321.377	1.009	50	20	DDGD	
CSSCCNC(=O)c1ccc(OCC(N)=O)cc1	284282725	YZENLCVKEHJPPT-UHFFFAOYSA-N	300.405	1.292	50	20	DDGD	
O=C(NNC(=O)c1ccc2oc(=O)[nH]c2c1)NC1CCCCC1	286754462	RMDWJSJQWYLZRG-UHFFFAOYSA-N	318.333	1.398	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)cc1	285224454	SMRVBWPQCUOYNL-NHYWBVRUSA-N	319.405	1.561	50	20	DDGD	
CCOC1(CNC(=O)NNc2nccc(OC)n2)CCCC1	297505117	VNKBJWSPXUSMGT-UHFFFAOYSA-N	309.370	1.461	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1CCC[C@H]1CCCF	800808905	UOYSTPQOTZDGDA-KGLIPLIRSA-N	313.417	1.977	50	20	DDGD	
CCOc1ccc(OCC(=O)NNC(=O)[C@H]2CCCCO2)cc1	295358761	JCIYUVFEQSMCLS-CQSZACIVSA-N	322.361	1.181	50	20	DDGD	
COCCN(C)NC(=O)C1(C)CCN(Cc2ccccc2)CC1	296918809	AICBHTBSIQEQCU-UHFFFAOYSA-N	319.449	1.898	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccc([N+](=O)[O-])s1	299002665	BJSAWYOFKIEOCA-UHFFFAOYSA-N	312.229	1.163	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)CC(N)=O)c1C	298485204	GTAFJIPFOPXWIU-RIYZIHGNSA-N	302.378	1.366	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NC[C@@H]2CCCSC2)c1	807598436	VQSBIWHTBNKMHL-LBPRGKRZSA-N	318.402	1.645	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(N)nc2)cc1C	807958068	IXWLXWJZCVYQTE-UHFFFAOYSA-N	311.345	1.369	50	20	DDGD	
CSSCCNC(=O)N1CCN(CC(C)(C)O)CC1	807226613	RGLRXMYLSAIQTJ-UHFFFAOYSA-N	307.485	1.096	50	20	DDGD	
COCCCn1nccc1C=NNC(=O)Cc1cccnc1	802711824	ZDZCBQBBJNSOEH-UHFFFAOYSA-N	301.350	1.007	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)[C@H]2CCCCO2)ccc1F	296242487	QACXQXJDEDADTE-CYBMUJFWSA-N	309.341	1.534	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1cc(F)cnc1Cl	297068262	DINHZTZBWMLNRS-UHFFFAOYSA-N	302.737	1.751	50	20	DDGD	
O=C(Cc1ncccc1F)NNC(=O)Nc1cc(F)cc(F)c1	802006076	BTGZOVIQQSDXPP-UHFFFAOYSA-N	324.262	1.894	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1cccc(S(C)(=O)=O)c1)C(C)C	298116966	XSIUAMPZPSNPQK-CYBMUJFWSA-N	309.391	1.374	50	20	DDGD	
CCOc1ncccc1NC(=O)NNC(=O)[C@@H]1CCCCO1	296520155	ZFXZYUBJFRRXRE-NSHDSACASA-N	308.338	1.202	50	20	DDGD	
Cn1cc(/C=C\C(=O)NNC(=O)Nc2cc(F)cc(F)c2)cn1	802005976	FBQAVANKTIYLCX-IHWYPQMZSA-N	321.287	1.564	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2cccc(N(C)C)c2)on1	816806842	ORVRTNUIIJTQBS-UHFFFAOYSA-N	302.334	1.053	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1CC[C@@H](C(=O)O)[C@H](C)C1	814794357	DWJIHDZHWDUWGB-HZGVNTEJSA-N	310.379	1.640	50	20	DDGD	
C=CCC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	814253112	SEPRMGRHTACFBW-UHFFFAOYSA-N	317.389	1.992	50	20	DDGD	
CN1CC[C@H](CNC(=O)[C@@H](Br)C(C)(C)C)CC1=O	819619107	BUZVZJGVHNQIHD-GXSJLCMTSA-N	319.243	1.781	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)COc1cc(C)ccc1C	811630383	HDEZGDJRDZHCLC-AWEZNQCLSA-N	317.389	1.843	50	20	DDGD	
CC(=O)C1(C(=O)NNC(=O)c2cccc(OC(F)F)c2)CC1	815384688	KLPLAGCCCDYXBI-UHFFFAOYSA-N	312.272	1.418	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)[C@H](C)CN2CCCCC2)on1	814763907	NQXRSAHTJPUZDQ-LLVKDONJSA-N	322.365	1.033	50	20	DDGD	
CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)NN(C)C1CC1	819643930	VABZNIFSBUXCAP-HNNXBMFYSA-N	318.421	1.636	50	20	DDGD	
C[C@@H](Oc1ccc(C=O)cc1)C(=O)NNc1ncncc1F	817071470	UIUVVTBMEZVFRQ-SECBINFHSA-N	304.281	1.339	50	20	DDGD	
CC(C)C[C@@H](C(=O)NNC(=O)CC1CC1)N1CCCCC1=O	819114474	JGTBWGKAIJASKM-ZDUSSCGKSA-N	309.410	1.361	50	20	DDGD	
CC(=NNC(=O)Cn1cnc2ccccc21)C1CCN(C)CC1	814729215	GOLVSUYXKLUVRM-UHFFFAOYSA-N	313.405	1.870	50	20	DDGD	
O=C(NCCc1cc(F)cc(F)c1)NNc1ncncc1F	814294813	VJYQISRCQQQQPO-UHFFFAOYSA-N	311.267	1.763	50	20	DDGD	
CC(=NNC(=O)C(=O)NC(C)C)c1ccc(CN(C)C)cc1	814777463	WNBZEOSOKVQZOH-UHFFFAOYSA-N	304.394	1.113	50	20	DDGD	
Cc1cc(C)cc(NC(=O)C(=O)NNc2ncncc2F)c1	815765909	IBDYOBOEEWHSQZ-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
COc1cc(OC)c(OC)cc1C=NNC(=O)c1ccc[nH]1	725854696	WHXOTCAGWJOPMO-UHFFFAOYSA-N	303.318	1.804	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNC(=O)NCC3CC3)(CC1)CC2	814627391	ZDPMOXVMNKZIQI-UHFFFAOYSA-N	323.393	1.240	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)[C@H]1CC2CCC1CC2	816659874	FGZPBKIYMVEFNZ-BPCQOVAHSA-N	312.377	1.932	50	20	DDGD	
CC(C)NC(=O)Nc1ccc(C(=O)NNc2nc[nH]n2)cc1	816633356	ZIAMEUOFYKWPNB-UHFFFAOYSA-N	303.326	1.092	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)/C=C\[C@H]2CCOC2)c1F	493685342	KKOMCXULBISLLB-OMMCCPJFSA-N	308.309	1.648	50	20	DDGD	
CCc1ccc(CN(C)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	827314332	ARROCVMKWHKSBG-IUODEOHRSA-N	319.405	1.847	50	20	DDGD	
CC(C)(CN1CCOCC1)C(=O)NNc1ccnc(Cl)c1	824444455	ZFECSJKRYVBTGQ-UHFFFAOYSA-N	312.801	1.537	50	20	DDGD	
O=C(NNc1ccccn1)Nc1ccc(F)c(-c2nn[nH]n2)c1	826449332	MTJYQENAWWWYOZ-UHFFFAOYSA-N	314.284	1.549	50	20	DDGD	
O=C(C[C@@H]1CCC(=O)N1)NNc1ccc(Cl)cc1[N+](=O)[O-]	822386685	CUHSNCIICIZWDD-QMMMGPOBSA-N	312.713	1.360	50	20	DDGD	
CN(NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1	729501349	KGIZVUPENSOOOY-HUUCEWRRSA-N	304.394	1.200	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@@H]1CCC[C@H](C2CC2)C1	824859596	NJWPTXYCPWGXST-MJBXVCDLSA-N	309.410	1.855	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1ccc2nccnc2c1	823327382	IBKOIVMANVORLW-UHFFFAOYSA-N	321.340	1.503	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCN(c3ccccc3)C2)n[nH]1	827018187	DNIAQNGKKICJQZ-GFCCVEGCSA-N	313.361	1.006	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@H](c2cccc(F)c2)C1	827689641	DLDCIUNUJFFJAG-ZDUSSCGKSA-N	307.369	1.418	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)/C=C\c2ccc[nH]2)nc2ccccc21	492797927	JOKVGTHXWNFVBM-HJWRWDBZSA-N	323.356	1.305	50	20	DDGD	
CCc1nc(O)c(C(=O)NNC(=S)N[C@H](C)C2CC2)cc1C	824446839	TVEINGSTDNJGME-SECBINFHSA-N	322.434	1.565	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@H](C)[C@@H]1CCCN(C2CCC2)C1	828808401	NAWAMJNAWOEIBS-ZIAGYGMSSA-N	324.469	1.032	50	20	DDGD	
O=C(/C=C\c1cccnc1)NNc1ccc(-c2nn[nH]n2)cc1	826403261	NSEZXHNFDWWQCY-BAQGIRSFSA-N	307.317	1.418	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2cn(C)nc2C2CC2)ccn1	901184721	JGUPCKBIIDDHGY-UHFFFAOYSA-N	312.377	1.522	50	20	DDGD	
CCC(CC)[C@H]1C[C@@H](NCc2ccccc2B(O)O)CCO1	585033276	CIFZXVWNZYIFBJ-DOTOQJQBSA-N	305.227	1.440	50	20	DDGD	
Cc1cc(Cl)c(C(=O)NNC(=O)N(C)C)cc1[N+](=O)[O-]	824627000	GKLXTQWLPZSLJU-UHFFFAOYSA-N	300.702	1.473	50	20	DDGD	
COc1cc2c(cc1NC(=O)NN(C)C1CC1)NC(=O)CC2	824283875	FNPYLGGVNSRLIJ-UHFFFAOYSA-N	304.350	1.711	50	20	DDGD	
COc1ccc(Cl)cc1CCNCc1ccc(B(O)O)cc1	585023568	JOZBLETWROAZET-UHFFFAOYSA-N	319.597	1.361	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@H]1CCCCN1C1CCCC1	584914152	QNCCGIPFLUOISH-MRXNPFEDSA-N	316.210	1.102	50	20	DDGD	
CCSCc1ccc(NC(=O)C(=O)NNC(=O)OC)cc1	497306102	QGDNPZQZINBWAA-UHFFFAOYSA-N	311.363	1.265	50	20	DDGD	
CSc1ccc(CCNCc2ccc(B(O)O)cc2F)cc1	585039028	MJLGCBQZGAFPBV-UHFFFAOYSA-N	319.210	1.560	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)cc1F)C1CCC(F)(F)CC1	585046016	PJLVPQFJOLVDON-JTQLQIEISA-N	315.144	1.809	50	20	DDGD	
CN(CCN1CCCC1=O)C(=O)/C(C#N)=C\c1ccc(O)cc1	491100516	BENGBEWCHMOTJF-KAMYIIQDSA-N	313.357	1.380	50	20	DDGD	
Cc1ccc(O[C@@H](C)CNCc2ccc(B(O)O)cc2F)cc1	585027031	NLDGZTPEEMZWIW-ZDUSSCGKSA-N	317.169	1.371	50	20	DDGD	
CO[C@@](C)(CNC(=O)NNC(=O)C(C)(C)C)c1ccccc1	836291583	DNLMMCVYNXLNKH-INIZCTEOSA-N	307.394	1.925	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccnc(NC2CCC2)c1	908518701	ZRMFSSNAPIQZAV-CYBMUJFWSA-N	318.377	1.376	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H](C)[C@@H](OC)C2CC2)c1	838699859	BQAWJYVXWYKFLO-IINYFYTJSA-N	321.377	1.913	50	20	DDGD	
C[C@]1(C(=O)NCC2(N3CCOCC3)CC2)C[C@@H]1Br	907758346	GOOJBGGQWHFMNU-JQWIXIFHSA-N	317.227	1.141	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)NC2CC2)cc1-c1nn[nH]n1	737077131	RUMSVUXIMQIIRA-POHAHGRESA-N	310.317	1.061	50	20	DDGD	
O=C(NNS(=O)(=O)c1coc2ccccc12)C1CCCC1	901849051	BKWGOALYRDGTEW-UHFFFAOYSA-N	308.359	1.933	50	20	DDGD	
Cc1csc(CCCCNCc2ccc(B(O)O)cc2)n1	585020456	XSYZNKQWWOQCGD-UHFFFAOYSA-N	304.224	1.244	50	20	DDGD	
O=S(=O)(CBr)NC[C@H]1CCOC2(CCC2)C1	832130005	HSSDUEWRCMOJPI-VIFPVBQESA-N	312.229	1.608	50	20	DDGD	
CN(C(=O)c1ccc(B(O)O)c(F)c1)C1CCC(C)(C)CC1	584958594	SUYBZAHHXINAGP-UHFFFAOYSA-N	307.174	1.546	50	20	DDGD	
O=C(C[C@@H](c1ccccc1)C(F)(F)F)N1CC[C@H](B(O)O)C1	585066802	PUAVWABEWBYFQR-RYUDHWBXSA-N	315.100	1.798	50	20	DDGD	
COCCCn1cc(C)c(NC(=O)NNc2ccccn2)n1	836714036	WIVNYSIHJGGEAI-UHFFFAOYSA-N	304.354	1.772	50	20	DDGD	
CC(C)(C)[C@@H](NC(=O)c1cccc(B(O)O)c1)c1ccco1	584947588	VOLQBHXQYJLTAT-AWEZNQCLSA-N	301.151	1.477	50	20	DDGD	
Cn1ccc(C(=O)NNC(=O)C(C)(C)O)c1-c1ccccc1	832749204	FAWZGCDXFBUFSO-UHFFFAOYSA-N	301.346	1.224	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCCCCC1)c1cnccn1	734744717	CGKHTLUSTGILMB-ZDUSSCGKSA-N	303.410	1.829	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1ccccc1C(=O)O)C1CCCC1	833394624	CAFRABMPXQBJQK-AWEZNQCLSA-N	319.361	1.523	50	20	DDGD	
C[C@@H](NCc1ccc(B(O)O)o1)c1ccc(C(F)(F)F)cc1	585014891	HVFPRWPGXCSHCA-SECBINFHSA-N	313.084	1.829	50	20	DDGD	
N#Cc1cccc(C=NNC(=O)c2nnc(O)c3ccccc23)c1	839396070	RYLLDXZDRGLJFD-UHFFFAOYSA-N	317.308	1.971	50	20	DDGD	
C[C@H]1C[C@@H]1C(=O)NNC(=O)CSc1ccccc1[N+](=O)[O-]	730592349	HGAOGZZDBQYJHX-IUCAKERBSA-N	309.347	1.490	50	20	DDGD	
O=C(CN1CSCC1=O)NNc1cccc(Cl)c1Cl	838341354	AWJIAWFJLMRMER-UHFFFAOYSA-N	320.201	1.969	50	20	DDGD	
CC(C)[C@H](Cc1ccccc1)C(=O)NNC(=O)c1ncon1	832825781	HETYHMVOFCZLRR-LBPRGKRZSA-N	302.334	1.346	50	20	DDGD	
Cc1cc(CC(=O)NN=C2C(=O)Nc3c(F)ccc(C)c32)n[nH]1	732712989	UQEVQTHOVGWNDO-UHFFFAOYSA-N	315.308	1.181	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CCC[C@H]1CC(=O)O	832977132	NBPBUOKYGNESBI-NSHDSACASA-N	305.334	1.289	50	20	DDGD	
Cc1nnc(CC(=O)NNc2ccc(C(F)(F)F)cn2)s1	832395122	GEGBLRGPJSQUHE-UHFFFAOYSA-N	317.296	1.946	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNc1cccc([N+](=O)[O-])c1C	838674158	SKLPUEDDEYTFLP-YPMHNXCESA-N	306.322	1.873	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)C1CCC(OC(F)F)CC1	584911936	AWCVDRXGWLGETF-UHFFFAOYSA-N	313.109	1.103	50	20	DDGD	
C[C@H]1Oc2cc(F)ccc2[C@H]1NCc1cccc(B(O)O)c1	585040794	QDGYEWVEUCAOLW-HWPZZCPQSA-N	301.126	1.117	50	20	DDGD	
C[C@H](NCc1ccccc1B(O)O)[C@@H]1CCCN(C2CCC2)C1	585034586	KEXLBRUJFBTYPO-GOEBONIOSA-N	316.254	1.109	50	20	DDGD	
CO[C@]1(C)C[C@@H](NC(=O)NNC(=O)[C@H]2CCCCO2)C1(C)C	836336025	UQQJCRSBMIOIOO-UEKVPHQBSA-N	313.398	1.090	50	20	DDGD	
O=C(CN1CCC(C2CCCCC2)CC1)NNC(=O)C1CC1	733194270	FVLCTUVPPUPGIP-UHFFFAOYSA-N	307.438	1.836	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2C[C@@]23CCOC3)c1F	837061605	OBWAMDGWAREETM-MEBBXXQBSA-N	308.309	1.482	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)c2cccc(O)c2)cc1	741793084	XXVAWYISIKDOFM-UHFFFAOYSA-N	313.357	1.598	50	20	DDGD	
CC[C@H](C)n1nc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1C	831616590	FNEWCULAFVRJNM-DLOVCJGASA-N	323.397	1.740	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)N[C@@H]1CCSC1	743691582	OEUDYXDIFVDJMP-SECBINFHSA-N	311.432	1.686	50	20	DDGD	
COc1ccc(Cl)cc1C(=O)NNc1ccnc(N(C)C)n1	740104459	LWEMEVFSGUXCQQ-UHFFFAOYSA-N	321.768	1.962	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](Cc2ccccc2)[C@H]1C	746675025	AWRINWKUEGPFMV-IJEWVQPXSA-N	317.433	1.885	50	20	DDGD	
CCOc1ccc(C=NNC(=O)CCN(CC)CC)c(O)c1	916354603	FZUSAYPBFKRBNZ-UHFFFAOYSA-N	307.394	1.973	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CCO[C@@H]2C)ccc1OC(C)=O	842558231	RKIFRTQNENQJKH-MFKMUULPSA-N	320.345	1.496	50	20	DDGD	
CN(C)C(=O)NN=C1CCN(c2ccc(N(C)C)cc2)CC1	741460872	URNYVPCPGOUTRN-UHFFFAOYSA-N	303.410	1.980	50	20	DDGD	
CC(C)Cn1ncc2cc(C(=O)NNC(=O)C3CC3)cnc21	748214127	KNGVMQUSNJZKBX-UHFFFAOYSA-N	301.350	1.258	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)C1=NO[C@@H](c2ccccc2)C1	919816935	JMNVALVLBZRTLT-SNVBAGLBSA-N	315.251	1.604	50	20	DDGD	
C[C@H](Cc1ccc(O)cc1)NC(=O)NNC(=O)CC(F)(F)F	919912417	GVJHPVPOAWEPRX-MRVPVSSYSA-N	319.283	1.606	50	20	DDGD	
CC[C@H](C)c1nc(C)c(CC(=O)NNC(=O)NC2CC2)c(C)n1	847392510	YGKMMGXHHKVMTK-VIFPVBQESA-N	319.409	1.642	50	20	DDGD	
C=C(C)CONC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	845591521	XVASLLCTWDBPPU-SNVBAGLBSA-N	311.313	1.431	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2[C@@H]3CCC[C@@H]23)cc1OC	748838559	OBWCTVBCLIYJAS-GHMZBOCLSA-N	304.346	1.511	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)CCc1ccccc1Cl	849304239	OQWKOVZZHMTOLJ-JTQLQIEISA-N	318.826	1.879	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12	842255794	FIBIOVPGXMHORL-OUAUKWLOSA-N	309.391	1.213	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CSC2CCCC2)cc1	747175291	NTPKQDSSVWIXII-UHFFFAOYSA-N	303.387	1.995	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1c(F)cccc1Br	910164089	SIODBTGQLIRXIX-SSDOTTSWSA-N	305.147	1.546	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)COc2ccc(F)cc2)o1	746095808	CUOAQZSZLKNCNO-UHFFFAOYSA-N	307.281	1.271	50	20	DDGD	
CCc1nc(C)c(C(=O)NNc2nc(C)cc(OC)n2)s1	746623793	QFZUZDDRMUVAEP-UHFFFAOYSA-N	307.379	1.878	50	20	DDGD	
CC(C)[C@@H](N)CNC(=O)NNC(=O)c1cc2ccccc2o1	841943910	QRRAWJUZGAJGJL-NSHDSACASA-N	304.350	1.360	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCCCn2ccnc2)n1	746758930	YIEJRPSAIDMHAL-UHFFFAOYSA-N	319.369	1.097	50	20	DDGD	
CS(=O)(=O)NNC(=O)c1ccc(COc2ccccc2)o1	916106955	UVFKWPMIZWRICT-UHFFFAOYSA-N	310.331	1.053	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H](c1ccccc1)C(C)C	742647310	KPSAKMQRNVCEDQ-AWEZNQCLSA-N	300.362	1.919	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2CCCN3CCCC[C@H]23)nn1	847443803	DWRQXKURTDAXRA-QWHCGFSZSA-N	304.398	1.428	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cnn1C(C)(C)C	843643389	IBYNIYJRYFBKOZ-WDEREUQCSA-N	308.382	1.133	50	20	DDGD	
C[C@@H]1C(=NNC(=O)c2ncccn2)CCN1Cc1ccccc1	841664852	DPJAFIGPPZKRGZ-CYBMUJFWSA-N	309.373	1.857	50	20	DDGD	
CC(C[C@H]1CCCC(=O)N1)=NNC(=O)CNc1ccccc1	841602414	FZGACNUTQQGWRB-CQSZACIVSA-N	302.378	1.649	50	20	DDGD	
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1cnccn1	741770334	FEMRRXAQRBHANA-UHFFFAOYSA-N	301.262	1.244	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C\c1ccc(C(=O)O)c(F)c1	849176036	CSSXBUQDHKDGLZ-BVBCSLMJSA-N	306.293	1.582	50	20	DDGD	
CCCCNC(=O)NNC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2	920764847	MNWQELIFNADUJY-QJRTVWDNSA-N	323.437	1.838	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)Nc1cnc2c(c1)CCCC2	757996375	SZBZHHRADOZKAQ-UHFFFAOYSA-N	314.349	1.079	50	20	DDGD	
C[C@@H]1Cc2ccccc2C1=NNC(=O)N[C@H]1CCS(=O)(=O)C1	751130736	MNTCEIVZUHJZJY-PWSUYJOCSA-N	321.402	1.069	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H]2CCCOC2)c1C	853465469	HPJYIHBQBNFBNP-GFCCVEGCSA-N	321.377	1.834	50	20	DDGD	
CSc1cc(C)c(C(=O)NNC(=O)Cn2nc(C)cc2C)o1	854232806	UTZPTBLGLNRCPF-UHFFFAOYSA-N	322.390	1.584	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NOC[C@H]2CCOC2)c1C	854016855	ULMWTNOMNYKXDP-NSHDSACASA-N	323.349	1.376	50	20	DDGD	
O=C(NNc1cc(F)cc(Cl)c1)[C@@H]1CN2CCCN1CC2	855618893	VGFFIZSRTOMTGN-ZDUSSCGKSA-N	312.776	1.312	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C2(N(C)C)CC2)c1C	854217855	OVRPJECDKKRNPZ-ZDUSSCGKSA-N	319.405	1.312	50	20	DDGD	
O=C1CCc2cc(NC(=O)NNC(=O)C3CCCC3)ccc2N1	755636975	LXOKMFFGICKZGU-UHFFFAOYSA-N	316.361	1.914	50	20	DDGD	
Nc1ccc(C(=O)NN=Cc2cc(O)ccc2[N+](=O)[O-])cc1	751131827	TXPZASLLDWTKMB-UHFFFAOYSA-N	300.274	1.647	50	20	DDGD	
CCN1C[C@@H](CNC(=O)NNc2cc(F)ccc2C)CC1=O	854214008	DIJKDDMWMRXODM-LLVKDONJSA-N	308.357	1.629	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@@H](C)C2CC2)cc1OC	920051084	MNAYWJVSSJMDGH-SNVBAGLBSA-N	321.377	1.694	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1ccc(OC)c(F)c1	920757262	KLBDTAQUTKDRPN-UHFFFAOYSA-N	319.358	1.127	50	20	DDGD	
CCCOc1ccc(S(=O)(=O)NNC(C)=O)cc1C(C)C	853023653	GIQWPMYFDAPWMX-UHFFFAOYSA-N	314.407	1.928	50	20	DDGD	
COCCN(C)NC(=O)c1cccc([C@H]2CCCN(C)C2)c1	857253681	RBDZZINDZJJCGZ-INIZCTEOSA-N	305.422	1.719	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=S)NCC1CCC1)c1ccccc1	855091166	DVRFYAAXSLEMDE-MRXNPFEDSA-N	321.446	1.844	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cn1)C1(CO)CCOCC1	857488759	MDWORKMHCAXOKR-UHFFFAOYSA-N	319.283	1.333	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)C1CC(F)(F)C1	753563465	NQRRIGIHOZSFMB-LLVKDONJSA-N	312.272	1.019	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCCCN(C)C2CC2)c1	858530237	YQXLMRNXZISKKG-UHFFFAOYSA-N	324.450	1.875	50	20	DDGD	
COCn1ccc(C(=O)NC[C@]2(C)C[C@@H]2Br)n1	857386312	SWRNKTVGYMZQBH-ONGXEEELSA-N	302.172	1.390	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNc1ncc(Cl)cn1	857355391	CLTVCBSFZULZHU-JTQLQIEISA-N	311.773	1.364	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1coc(C(N)=O)c1)c1ccccc1	759845301	PSAQVLFTWKKECR-UHFFFAOYSA-N	315.329	1.117	50	20	DDGD	
COc1cccc(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1C	852394542	UNYHHJQIPKDMJP-WCQYABFASA-N	321.377	1.259	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)Nc1ccc(C2CC2)nn1	757699678	JEWGDNCSXIAEMB-UHFFFAOYSA-N	315.308	1.960	50	20	DDGD	
CN(C(=O)NC[C@]1(C)C[C@H]1Br)[C@@H]1CCCOC1	856959691	WZBKPLXVEUQEJO-FOGDFJRCSA-N	305.216	1.980	50	20	DDGD	
CC(C)[C@H](CO)CNC(=O)NC[C@@]1(C)C[C@H]1Br	856959443	UMXWQOHGPZVXPC-HOSYDEDBSA-N	307.232	1.724	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)Cn1ccc2ccccc21)C1CC1	859230307	ZLSLTQVEXMNDDF-INIZCTEOSA-N	315.373	1.604	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CCc3n[nH]cc3C2)C[C@H]1Br	857393260	FPHFXUWJJNGOGM-XTWCZFFVSA-N	312.211	1.804	50	20	DDGD	
CNC(=S)N(C)NC(=O)/C=C(/C)Cc1ccccc1OC	854923817	JUYJYKRFYRGLFX-KHPPLWFESA-N	307.419	1.651	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2cc(C(F)(F)F)ccc2F)N1	863149155	SQVCTUGAIOLOKO-JTQLQIEISA-N	317.242	1.573	50	20	DDGD	
CN1CCC(=NNC(=O)c2cc3c(s2)CCCCC3)C1=O	761777292	IUCFOESKDQGOIT-UHFFFAOYSA-N	305.403	1.965	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2ccn(-c3ccccc3)n2)n[nH]1	766688729	CPCBNNDFNRAFGV-UHFFFAOYSA-N	308.345	1.597	50	20	DDGD	
O=C(NN=C1CCS(=O)CC1)c1ccc2c(c1)OCCO2	761805098	XHVCQCYJFLGPKK-UHFFFAOYSA-N	308.359	1.086	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1coc(C2CCOCC2)n1	767721902	HEGDNMYJGKNQBH-UHFFFAOYSA-N	310.354	1.313	50	20	DDGD	
COc1nccnc1NNC(=O)NCCc1ccc(F)cc1	763484408	HIPVDCKPYVBNFO-UHFFFAOYSA-N	305.313	1.493	50	20	DDGD	
CC1CCN(CC(=O)NNCC(F)(F)C(F)(F)F)CC1	863096750	UPTNMLOGLRYCPT-UHFFFAOYSA-N	303.275	1.537	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@H]1CCN(C2CCCCC2)C1=O	765876687	CCLBAZAKJNTIJQ-ZDUSSCGKSA-N	322.409	1.051	50	20	DDGD	
CC(=O)NNC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1	760812026	DMQYQKBDCUPYGT-UHFFFAOYSA-N	312.251	1.672	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@H]2CCSC2)cc1	762169787	CFOPIWQGYYWPJR-LBPRGKRZSA-N	308.403	1.528	50	20	DDGD	
Cc1ccccc1C[C@H](C)C(=O)NNc1nccn(C)c1=O	863894273	MQSOBHQQORJNCD-LBPRGKRZSA-N	300.362	1.411	50	20	DDGD	
CCOC(=O)[C@H](Cc1ccc(F)cc1)NNC(=O)c1ccc[nH]1	863369012	VGAVFFDLYPAYMM-AWEZNQCLSA-N	319.336	1.563	50	20	DDGD	
COC(=O)C[C@H](NS(=O)(=O)CC(C)(C)CCl)C1CC1	866941634	JQIYSGXIXWXWQT-JTQLQIEISA-N	311.831	1.513	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)C1Cc2ccccc2C1	762992272	XJGIKPRVKBKAOH-UHFFFAOYSA-N	312.398	1.814	50	20	DDGD	
CCCOc1ccc(C(=O)NN=C2CCN(C)C2=O)cc1OC	761766480	GOFARDARXJWKOT-UHFFFAOYSA-N	319.361	1.432	50	20	DDGD	
O=C(C[C@H]1COC(=O)C1)NNc1cccc(C(F)(F)F)n1	768144634	HTBIZEZWPOUYCO-SSDOTTSWSA-N	303.240	1.497	50	20	DDGD	
Cc1nn(CCO)c(C)c1C=NNC(=O)c1cccc(Cl)n1	1118529866	VMZLSFZSDRLOCH-UHFFFAOYSA-N	321.768	1.305	50	20	DDGD	
COc1cccc(C(=O)NNc2ncncc2Cl)c1[N+](=O)[O-]	768241721	RLUIJFXYFKKSNL-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
CC(C)(C(=O)NNS(=O)(=O)c1ccccc1)c1ccccc1	871074653	QOHDRUQUBZWRFW-UHFFFAOYSA-N	318.398	1.974	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2O)cc1	775680021	ZGMHCTTXBGRGAC-UHFFFAOYSA-N	315.716	1.992	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1cc[nH]c1	772964971	AFEBOXPBTVWFOB-SECBINFHSA-N	307.737	1.897	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1nc2ccccc2s1)N(C)C	874913830	UVRKDPNEYFQSQH-JTQLQIEISA-N	306.391	1.398	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1c(Br)cnn1C	870315700	IUTUFMXQEUYKFF-FPLPWBNLSA-N	313.155	1.243	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccn(Cc2ccccc2)n1	772450395	JAIQLCBCLOJPKG-UHFFFAOYSA-N	301.350	1.285	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc(O)ccc1C(F)(F)F	1116878029	RPQIKBHHOWZQPF-UHFFFAOYSA-N	321.324	1.928	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccn2C)nn1[C@H](C)C1CC1	776754117	ZCODCKXQLROSBU-LLVKDONJSA-N	315.377	1.576	50	20	DDGD	
CN(NC(=O)COc1ccc(Oc2ccccc2)cc1)C(N)=O	770532238	GRSBJTHYEFENIR-UHFFFAOYSA-N	315.329	1.899	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNC(=O)c2ccncc2)cc1O	771837542	DTXZJZVZGJIYOQ-HYXAFXHYSA-N	313.313	1.270	50	20	DDGD	
CCc1oc2ccccc2c1C=NNC(=O)NCC(=O)OC	779817600	SSMFREAGAOROFY-UHFFFAOYSA-N	303.318	1.801	50	20	DDGD	
CC(C)(C)c1cn(CC(=O)NNC(=O)c2ccc(F)cc2)nn1	880992005	BNXWQVKYISUJSW-UHFFFAOYSA-N	319.340	1.176	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1csc(C(C)(C)C)n1	887143209	PYLVDQKMKUOSGZ-UHFFFAOYSA-N	307.419	1.934	50	20	DDGD	
CNC(=O)CCCCC(=O)NNC(=O)c1cc2ccccc2o1	779805482	YQBYYFXKTRWUET-UHFFFAOYSA-N	317.345	1.500	50	20	DDGD	
COc1nn(C)cc1C(=O)NNC(=O)CCCc1ccccc1	883960012	FGJJVTAZGBDTTI-UHFFFAOYSA-N	316.361	1.213	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC(=O)c2ccccc21)c1ccccn1	785668570	JEJUZOBOVKCNSX-ZDUSSCGKSA-N	309.325	1.603	50	20	DDGD	
C[C@H](CCNC(=O)NNC(=O)C1CCOCC1)c1ccccc1	883269679	SDONHTSLWOQCBH-CYBMUJFWSA-N	319.405	1.937	50	20	DDGD	
Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)NN=c1cc[nH]cc1	780760890	ILOZQAODGYVSLJ-UHFFFAOYSA-N	324.388	1.396	50	20	DDGD	
Cc1nnc2n1C[C@H](C(=O)NNc1ccc(F)c(F)c1)CC2	885113110	OXGQOUBIUDQEES-SECBINFHSA-N	307.304	1.570	50	20	DDGD	
NC(=O)c1ccccc1C=NNC(=O)CCN1CCCCCC1	788705446	VYXXVKKVWYNMOR-UHFFFAOYSA-N	316.405	1.502	50	20	DDGD	
CCc1cnccc1[C@@H](C)NS(=O)(=O)CBr	782476714	FDLHTYYDFFXSAB-MRVPVSSYSA-N	307.213	1.977	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2cc(C)ccc2C)ncn1	783369115	LFENAPKFKSAYLJ-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2CO[C@@H](C)C2)c1C	784141800	CTWQUHONJMTOQT-YUTCNCBUSA-N	320.389	1.643	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](C)Cc1ccccc1	788163266	IMFRYYFOZVAIPP-ZDUSSCGKSA-N	322.405	1.802	50	20	DDGD	
CCOC(=O)COc1cccc(C(C)=NNC(=O)C(F)F)c1	782234659	FAKRKZZXJPOBFR-UHFFFAOYSA-N	314.288	1.734	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@@H](c2ccncc2)C2CC2)cn1	890903353	FFHAMMMXBLURIS-WPBGYSLVSA-N	307.357	1.990	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H](C)C[C@H]2CCOC2)c1	780841449	HMNFQOWPHNYESA-VXGBXAGGSA-N	321.377	1.914	50	20	DDGD	
NC(=O)[C@H]1CCC[C@@H](C(=O)NNc2ccccc2[N+](=O)[O-])C1	786688052	KPEJOUSOVNNWNW-VHSXEESVSA-N	306.322	1.330	50	20	DDGD	
Nc1ncc(C=NNC(=O)c2cccc(Br)c2)cn1	781592396	DMPHCFRCTKXAHQ-UHFFFAOYSA-N	320.150	1.585	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12	894254948	KYZJCLOVSMPROI-GTNSWQLSSA-N	315.373	1.480	50	20	DDGD	
CO[C@@H]1CCOC[C@H]1NC(=O)NNc1c(F)cccc1F	898098770	SRVUQDQPQRVBDU-GHMZBOCLSA-N	301.293	1.395	50	20	DDGD	
COc1ccnc(NNC(=O)NCC(C)(C)C2CCOCC2)n1	896999593	YFOJTZPULXPEJC-UHFFFAOYSA-N	323.397	1.564	50	20	DDGD	
C[C@H]1CCc2[nH]nc(C(=O)NNC(=O)CC(F)(F)F)c2C1	895807317	QJSZNCYZDBTAHP-LURJTMIESA-N	304.272	1.248	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)Cc1cccc2ccccc12)C1CC1	791492097	FSODNGGDCLIOBP-KRWDZBQOSA-N	312.369	1.955	50	20	DDGD	
COC(=O)[C@H](C)N(C)S(=O)(=O)c1ccc(CCCl)cc1	795424112	AIIMZBBMTFZWMG-JTQLQIEISA-N	319.810	1.650	50	20	DDGD	
CO[C@]1(C(=O)NC[C@@]2(C)C[C@H]2Br)CCSC1	893069565	DIOWXVUGGPYIEU-FBIMIBRVSA-N	308.241	1.798	50	20	DDGD	
CC(=NNC(=O)c1c[nH]nc1C)c1ccccc1-n1ccnn1	794908272	IVMOMWUQELOLGX-UHFFFAOYSA-N	309.333	1.453	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C[C@H]2CCCOC2)cn1	798125003	HENNAXPHTPCZKB-SNVBAGLBSA-N	324.406	1.225	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H](C)c2cccc(C#N)c2)n1	792968677	XKGQGPKVXBYKQY-GFCCVEGCSA-N	323.356	1.967	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1CNC(=O)NNC(=O)c1cccc(C)n1	793038352	ROQBJBGSSREOIM-DGCLKSJQSA-N	306.366	1.149	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc2c(c1)CCC=C2	791032810	MVFDKYHAVQUFAB-UHFFFAOYSA-N	303.362	1.627	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2cccc(OC(F)F)c2)CC1	790176865	VXANZOFBXWYJBH-UHFFFAOYSA-N	312.320	1.579	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC[C@@H]2CC[C@H](C)C2)n1	793460949	WABBQMWOTKGAQD-GXFFZTMASA-N	307.398	1.267	50	20	DDGD	
Cc1ccc(Br)cc1C(=O)N1CC[C@H](B(O)O)C1	585067714	VGJZOCQSPPNHLM-VIFPVBQESA-N	311.972	1.446	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2cc(F)ccc2F)cc1	1318723278	ICDQYVDXNTXSAH-UHFFFAOYSA-N	320.295	1.977	50	20	DDGD	
COC(=O)C(=O)NN=C1CCc2cc(Cl)cc(Cl)c21	1319193270	ZHGRTDXLKSVKDE-UHFFFAOYSA-N	301.129	1.933	50	20	DDGD	
Nc1cnnc(NNC(=O)CSc2ccncc2)c1Cl	1324009068	JSLUKYFVNZPEQO-UHFFFAOYSA-N	310.770	1.343	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1sccc1OC(F)F	1322504133	LXEGUJXKMWGAAP-UHFFFAOYSA-N	309.363	1.867	50	20	DDGD	
COc1cc(O)ccc1C=NNC(=O)c1ccc(O)c(O)c1	1321237080	VSOMCMWECPDJBO-UHFFFAOYSA-N	302.286	1.576	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cccc2c1OCCCO2	1326475075	DZQSHXXYFGNLGO-UHFFFAOYSA-N	309.391	1.365	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cnc3nccnc3c2)cc1	1320454782	GXXKWQBHTKNOED-UHFFFAOYSA-N	323.312	1.108	50	20	DDGD	
COC(=O)C(=O)NN=C1CC[C@@H](c2ccccc2)C[C@@H]1OC	1324474480	WWXWQVUDEYYJDJ-OCCSQVGLSA-N	304.346	1.614	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NNC(=O)C1CCC1	1328784530	FSSSLJFYGWYZAZ-SDDRHHMPSA-N	323.393	1.189	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2cnc3ncccn23)CC1	1322998565	JNMONYHHZYOPFQ-UHFFFAOYSA-N	314.393	1.301	50	20	DDGD	
COC(=O)CC(C)(C)N(C)C(=O)/C(C#N)=C/c1cnn(C)c1	1324485545	DXWNFQCBPIQFCA-WUXMJOGZSA-N	304.350	1.127	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CC23CCOCC3)cc1	1322322461	XJMOJPOATLHDSN-CYBMUJFWSA-N	304.346	1.273	50	20	DDGD	
COC(=O)c1ccccc1C(=O)NNC(=O)NC1CCCCC1	1336750954	QLPMIJDORXUBRO-UHFFFAOYSA-N	319.361	1.750	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@@H]2CCCCCN2)cc1	1335697083	UGUXEBZCWGIMAY-HNNXBMFYSA-N	318.421	1.725	50	20	DDGD	
COc1cc(C(=O)NNC(=O)COc2ccc(C)cc2)ccn1	1337466993	BFTDLDLBVRIMEQ-UHFFFAOYSA-N	315.329	1.239	50	20	DDGD	
Cc1cc2cc(NCc3cccc(B(O)O)c3)ccc2n(C)c1=O	1332962860	VDAYOIQQVZDHJF-UHFFFAOYSA-N	322.173	1.139	50	20	DDGD	
C[C@@H]1CCc2ccccc2N1CCNS(=O)(=O)CCl	1330598003	IKPNHZCWVYRQOM-LLVKDONJSA-N	302.827	1.943	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@@H]2CC[C@H](OC)C2)cc1	1261507660	GOIWFNPOSVFKKP-KGLIPLIRSA-N	321.377	1.596	50	20	DDGD	
COC(=O)CC1(CNC(=O)NNC(=O)CC(C)C)CCCC1	1346394161	CSVDVINSMZUTMX-UHFFFAOYSA-N	313.398	1.486	50	20	DDGD	
O=C(NNc1ncncc1F)c1cnc(-c2ncccn2)s1	1261248865	XXTARGNQNKMHCX-UHFFFAOYSA-N	317.309	1.286	50	20	DDGD	
Cc1nn(C)cc1CC(=O)NNc1cncc(Br)c1	1261260883	BGFPGMWACHNVAA-UHFFFAOYSA-N	324.182	1.572	50	20	DDGD	
COCc1nocc1C(=O)NNC(=O)CCc1ccccc1	1261217801	YEIGUXBEQOSECA-UHFFFAOYSA-N	303.318	1.215	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F	1290176942	DZKDVRLZEIBQBN-WDEREUQCSA-N	313.373	1.972	50	20	DDGD	
COC(=O)c1cc(NC(=O)[C@]2(C)C[C@@H]2Br)n(C)n1	1529109168	ZQQTXIQODSUPQR-WRWORJQWSA-N	316.155	1.319	50	20	DDGD	
CCC(=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1)C(C)C	1609180558	FBAANMMNSSMQRA-UHFFFAOYSA-N	316.365	1.784	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1CC(=O)NNc1ccc(F)c(C(=O)O)c1	1609846841	VMVVKRYQSDNZOO-AOOOYVTPSA-N	309.341	1.840	50	20	DDGD	
O=C(NCC1(C(=O)O)CCCCC1)NNc1ncncc1F	1601472589	XJNQHCVPJSDYHN-UHFFFAOYSA-N	311.317	1.277	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2N)cn1	1600944583	AYLQRCQSRHTQFM-YHYXMXQVSA-N	311.301	1.246	50	20	DDGD	
Cc1ccc(NNC(=O)/C=C2\SCC(=O)N2C)cc1C(=O)O	1607809728	AUMINSRAAUPSFG-MLPAPPSSSA-N	321.358	1.183	50	20	DDGD	
Cc1ccc(NNC(=O)c2nnc3ccccc3n2)cc1C(=O)O	1600463856	WXSSWCFPRULVTL-UHFFFAOYSA-N	323.312	1.788	50	20	DDGD	
O=C(CNc1ccccc1F)NN=C1CCC[C@H](C(=O)O)C1	1608342801	HHVCNMCLAPRURS-JTQLQIEISA-N	307.325	1.985	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccc(Cl)cc2O)nc1	1602383241	ZHEZEDWPQCVXRF-UHFFFAOYSA-N	307.693	1.896	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)c1cccc(-c2nn[nH]n2)c1	1606860975	HJRQPWCCLGGFIK-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2c(O)cc(F)cc2F)nc1	1608904237	NTOSCPKMWNYANO-UHFFFAOYSA-N	309.228	1.521	50	20	DDGD	
Cn1ncc(C(=O)O)c1NC(=O)NNc1ccccc1Cl	1601023723	IVMLMEVHZNIURF-UHFFFAOYSA-N	309.713	1.920	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2cccn2CC(=O)O)c(O)c1	1600341535	LXUJAXJIJNZTMB-UHFFFAOYSA-N	301.302	1.351	50	20	DDGD	
O=C(O)c1ccc(Cl)c(C=NNC(=O)c2cnccn2)c1	1608892465	RECHXRJNOADJCR-UHFFFAOYSA-N	304.693	1.592	50	20	DDGD	
COc1ccccc1C(C)=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549312659	BWJMOQKYWSZQCN-CZUORRHYSA-N	317.389	1.399	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@@H]1C(=O)NN=C1CCCOC1	1549310950	OLGBORAKTPNLOK-STQMWFEESA-N	306.366	1.170	50	20	DDGD	
O=C(NN=Cc1ccc2c(c1)COC2)[C@@H]1CN2CCC[C@H]2CO1	1549319084	SJYUUUODGOPKCQ-HOTGVXAUSA-N	315.373	1.030	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCC(C)(C)CN2)cn1	1579959210	OXWKZPUHNBYFAM-BLXFFLACSA-N	301.394	1.221	50	20	DDGD	
CC1(C)CNCC[C@@H]1NC(=O)NNC(=O)CCc1ccccc1	1576481066	QPMHTHPTCCMGGQ-AWEZNQCLSA-N	318.421	1.338	50	20	DDGD	
CC(C)(N)CNC(=O)[C@@]1(c2ccccc2)C[C@H]1Br	1575354535	XSRFNIBIRHARAW-BXUZGUMPSA-N	311.223	1.945	50	20	DDGD	
C[C@H](CCC1CC1)NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1589806432	UXZUPOXGUGFIKC-SECBINFHSA-N	316.369	1.467	50	20	DDGD	
CC(C)(C(=O)O)C(=O)NNC(=O)c1cccc(C(F)(F)F)c1	1588618374	GUVZVXINHUERBT-UHFFFAOYSA-N	318.251	1.577	50	20	DDGD	
NCCCCCC(=O)NNC(=O)c1cccc2scnc12	1580292792	RLRLLZANHZSVSN-UHFFFAOYSA-N	306.391	1.576	50	20	DDGD	
Cc1cnccc1CNC(=O)NNc1cccc(-c2nn[nH]n2)c1	1592302171	UPNJAMPJRUDUTA-UHFFFAOYSA-N	324.348	1.396	50	20	DDGD	
CCC(=NNC(=O)Cc1cc[nH]n1)c1ccc(-c2nn[nH]n2)cc1	1590359244	VUBJTJQKQUXDAJ-UHFFFAOYSA-N	324.348	1.063	50	20	DDGD	
Cc1c(Cl)c(C(=O)NNc2ncccc2C(=O)O)nn1C	1594262421	FOEXDUKHEUGZTJ-UHFFFAOYSA-N	309.713	1.232	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc(CCC(=O)O)c1	1594867109	WHTPUXYUIVJLSB-SNVBAGLBSA-N	307.350	1.903	50	20	DDGD	
COc1cc(C(=O)O)ccc1/C=C(\C#N)S(=O)(=O)N(C)C	1777269950	NZVNHQPLIFQVLM-IZZDOVSWSA-N	310.331	1.149	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccc(F)c2)cc1OC	5514195	FRCWIQFGCWJIBB-UHFFFAOYSA-N	318.304	1.918	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccncc1	16072277	OCZOXJCZIQTVHC-JTQLQIEISA-N	303.293	1.449	50	20	DDGD	
COc1cccc(C(=O)NNC(=S)Nc2ccccn2)c1	161657726	WVFSOQNLYUUSJI-UHFFFAOYSA-N	302.359	1.722	50	20	DDGD	
CCc1ccc(CC(=O)NNC(=O)NCc2ccco2)cc1	161817709	RMQCWPDEOYXGMT-UHFFFAOYSA-N	301.346	1.915	50	20	DDGD	
COc1c(Cl)cccc1NC(=O)NNC(=O)CN(C)C	158298193	SXHCMKPTAHMDDH-UHFFFAOYSA-N	300.746	1.063	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1ccc(N2CCCC2=O)cc1	158853115	OEAFDCDPDBVRAU-OWBHPGMISA-N	313.357	1.874	50	20	DDGD	
C[C@H](CNC(=O)NNc1cccc(C#N)c1)CN1CCOCC1	163325037	OXTMUJRFVCMUCM-CYBMUJFWSA-N	317.393	1.153	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)Oc2ccc(F)cc2)[nH]n1	151212315	VOPBRPBPNRBMRT-UHFFFAOYSA-N	320.324	1.476	50	20	DDGD	
CC[C@H](CC1CCCC1)C(=O)NNc1ccc(C(N)=O)nn1	154310685	ZNQXHXPNEOGRKC-LLVKDONJSA-N	305.382	1.625	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(-n3ccnn3)cc2)nc1	159415654	HKOBXSNARNKOSM-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
Cn1cnc2cc(CNS(=O)(=O)CCCCl)ccc21	921040701	LSFDVTDIRNHPSO-UHFFFAOYSA-N	301.799	1.622	50	20	DDGD	
O=S(=O)(N[C@H]1CCC[C@@H]1O)c1ccc(CCCl)cc1	323378716	OWZODRQIXWQSRJ-STQMWFEESA-N	303.811	1.660	50	20	DDGD	
CNC(=O)NNC(=O)c1sc(NC(=O)c2ccco2)cc1C	56375712	JQDYJLRZGIHWDI-UHFFFAOYSA-N	322.346	1.476	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CN(C)C(=O)OC(C)(C)C	57894123	VUYLNBKNQIOYKI-UHFFFAOYSA-N	321.377	1.623	50	20	DDGD	
COc1ccnc(NNC(=O)[C@](C)(O)[C@H](C)c2ccccc2)n1	174973683	BAZJZHGGORVMNB-BDJLRTHQSA-N	316.361	1.483	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2C)o1	175840129	GSNXFSPGDFMOMS-UHFFFAOYSA-N	303.274	1.879	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CC2CCOCC2)cc1	117411916	GMPMDSVTIOBGNF-UHFFFAOYSA-N	305.378	1.371	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNc1nccnc1Cl	114893453	BOCFMMGAOZELEO-SECBINFHSA-N	311.773	1.364	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCOc2ccc(Cl)cc2)cn1	117681264	ZBBXAZKQOONBCI-UHFFFAOYSA-N	322.752	1.304	50	20	DDGD	
Cc1cc(NNC(=O)CCNc2ccccc2[N+](=O)[O-])ncn1	172272413	OVBAUFQTLOUIMD-UHFFFAOYSA-N	316.321	1.639	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1[N+](=O)[O-]	23723940	AUGOLJXMDDRWKK-IZZDOVSWSA-N	317.301	1.821	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@@H]2COc3ccccc32)cc1	113159462	BUKOIRLILNMRGI-CQSZACIVSA-N	307.309	1.495	50	20	DDGD	
CCNC(=O)CCC(=O)NNc1nc(-c2ccccc2)no1	110854286	NOLPHXONFLODEP-UHFFFAOYSA-N	303.322	1.096	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc2c(F)cccc2[nH]1	68461353	AFKTYJQVEGVMFN-UHFFFAOYSA-N	308.313	1.288	50	20	DDGD	
Cc1ccc2oc(C(=O)NNC(=O)NCc3ccco3)cc2n1	171469560	XBEQHQNHFWJQND-UHFFFAOYSA-N	314.301	1.873	50	20	DDGD	
C[C@@H]1CN(CCC(=O)NNC(=O)c2cccc(F)c2)C[C@@H](C)O1	68195027	AGIGTQXQGWSUFE-VXGBXAGGSA-N	323.368	1.086	50	20	DDGD	
Cc1cc(NNC(=O)c2cccc(N3CCCC3=O)c2)ncn1	172276584	UZTFZWSOEFUAOR-UHFFFAOYSA-N	311.345	1.669	50	20	DDGD	
O=C(NC[C@@H]1CCN(C2CC2)C1)NNc1cc(Cl)ccn1	181400735	JMSJBGNLQAJDSE-JTQLQIEISA-N	309.801	1.845	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cccc(Br)c1	32262885	BXLAMBXRXKSRDF-JTQLQIEISA-N	313.151	1.389	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNC(=O)c2ccc(CC)cc2)C1	121408153	QIORSAXVPKLZEG-AWEZNQCLSA-N	317.389	1.269	50	20	DDGD	
C[C@H](C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)c1ccccc1	120439545	RZWHPZVEOLIZGT-JSGCOSHPSA-N	310.419	1.282	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc([N+](=O)[O-])c(O)c2)nc(C)n1	129011106	UEHNOGHXGAYNCX-UHFFFAOYSA-N	303.278	1.464	50	20	DDGD	
O=C(CO)NNC(=O)c1cn(Cc2ccccc2)c2ccccc12	182753586	VZQDMLCAJKOXHK-UHFFFAOYSA-N	323.352	1.443	50	20	DDGD	
COCCCNC(=O)CN(C)C(=O)c1cccc(CCl)c1	37834152	ZHXWCBWUOSZCNU-UHFFFAOYSA-N	312.797	1.650	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(Cl)ncc1Cl	129891769	BQWWYBXCSRKQAY-UHFFFAOYSA-N	321.164	1.369	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)C[C@H]2CCCCO2)c1	181158639	WWJRREUXPKZLJC-GFCCVEGCSA-N	312.391	1.492	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C2[C@H]3CCC[C@H]23)nc1C	182724127	PARMPZGGCSSXKT-UWVGGRQHSA-N	304.350	1.451	50	20	DDGD	
O=C(Cn1nc2ccccn2c1=O)NNc1cccc(Cl)c1	44248877	SAOFLJFTGHKZJF-UHFFFAOYSA-N	317.736	1.293	50	20	DDGD	
CCc1ccc(O)c(C(=O)NNc2nc3ccccc3c(=O)[nH]2)c1	137185272	CMZQKMOCGRYXOV-UHFFFAOYSA-N	324.340	1.948	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)NCc2ccco2)s1	49152122	RIJWYEZZGBUYRB-UHFFFAOYSA-N	315.376	1.342	50	20	DDGD	
C[C@@H]1CCC[C@@H](C)C1NC(=O)NNC(=O)Cc1ccncc1	86427416	GWIOZNDROHJJML-VXGBXAGGSA-N	304.394	1.779	50	20	DDGD	
Cc1ncncc1C(=O)NNC(=O)c1cc2ccccc2cc1O	193983755	ZENSTMBSUOQYAS-UHFFFAOYSA-N	322.324	1.719	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2ncc(Cl)cc2Cl)CC1=O	132744827	GJVBYQTXLUSGQE-ZETCQYMHSA-N	317.176	1.700	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H]1CCC[C@@H]1CCO	194882951	MJTOQRXAFAJNBZ-RYIXIWMISA-N	300.358	1.966	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccc[nH]2)c1C	96950794	RZDOTCMIXDUVGH-UHFFFAOYSA-N	318.333	1.211	50	20	DDGD	
CCC1(C(=O)NNC(=O)C(=O)Nc2ccccn2)CCCC1	268264267	LWXSESGUWOJMRE-UHFFFAOYSA-N	304.350	1.138	50	20	DDGD	
O=C(NCCn1cncn1)NNc1ccccc1C(F)(F)F	263849873	RSYOURJAAJNIBE-UHFFFAOYSA-N	314.271	1.623	50	20	DDGD	
C[C@@H]1CC[C@@H](CC(=O)NNC(=O)COc2ccccc2O)C1	268261112	KOYWUKRLHFFYQT-VXGBXAGGSA-N	306.362	1.745	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H](c2ccsc2)N(C)C)nn1	264348601	CHMMZWHJBKOAAZ-LBPRGKRZSA-N	320.422	1.776	50	20	DDGD	
O=C(NNc1cccnn1)[C@H]1CCCN(CC(F)(F)F)C1	265548653	PJEBPHGRLBTETR-VIFPVBQESA-N	303.288	1.194	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccccc1Cl	276531938	HQDYFQWAZUCPNO-UHFFFAOYSA-N	314.769	1.890	50	20	DDGD	
C[C@@]1(C(=O)NNc2nc(-c3cccnc3)no2)CCCOC1	272695758	HQDPZFWKOZTJKF-CQSZACIVSA-N	303.322	1.391	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)c2cccc(C)n2)c1C	279769303	HBAWXKRBIJPOQW-UHFFFAOYSA-N	301.350	1.298	50	20	DDGD	
CCc1cnc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)s1	277003833	IOOGXZPYSFFWAS-UHFFFAOYSA-N	314.367	1.200	50	20	DDGD	
COCCOc1cc(C)ccc1NC(=O)NNc1cnccn1	271414403	OEHRUGAZSDVATC-UHFFFAOYSA-N	317.349	1.959	50	20	DDGD	
COC1(CNC(=O)NNC(=O)C(C)(C)c2ccccc2)CCC1	272548749	LWVGBJRJMPHKGO-UHFFFAOYSA-N	319.405	1.864	50	20	DDGD	
COC(=O)Nc1cc(NC(=O)NNC(=O)C2CC2)ccc1F	274108971	LASHSVPCKUYTGT-UHFFFAOYSA-N	310.285	1.567	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cc(C)nnc2CC)cc1	273463825	IZMNHDMVKCGKIF-UHFFFAOYSA-N	312.373	1.985	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(C(=O)OC(C)(C)C)cc1	271272444	NWPRNLYGYHHIAR-UHFFFAOYSA-N	307.350	1.558	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)NCCOC(C)C)c1	273419591	GRBLDXDOLLCZQJ-UHFFFAOYSA-N	323.393	1.438	50	20	DDGD	
N#CC1=CCN(C(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1	272705734	WBRQAEVLMVUJIX-HNNXBMFYSA-N	316.405	1.596	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)Nc1ccc2ncsc2c1	274098732	OOMJAUMWLCTNQY-UHFFFAOYSA-N	318.358	1.182	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@@H]2C[C@]23CCOC3)cc1	372058861	VVHQERVPWZYIBE-BBRMVZONSA-N	318.377	1.332	50	20	DDGD	
Cc1ccc(NNC(=O)NCC2([C@@H](C)CCO)CCC2)nn1	271841869	BBEYQFNNLVHSLL-NSHDSACASA-N	307.398	1.600	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1nn(-c2ccc(F)cc2)cc1C	283740712	GXEFXGADOVYOHN-UHFFFAOYSA-N	319.340	1.626	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCCn1cc(Br)cn1	285044578	JFKAUTIBPLXLKZ-RMKNXTFCSA-N	313.155	1.206	50	20	DDGD	
C[C@@H]1CC=CC[C@H]1C(=O)NNC(=O)Cn1cnc2ccccc21	284520328	BMRUFHDRIMSVDR-CHWSQXEVSA-N	312.373	1.786	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)CNc1ccccc1OC	280065052	UBNUNHCAVKZZEL-OAHLLOKOSA-N	309.366	1.070	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCC1	284415755	RYOPTVSYSZKIKK-UHFFFAOYSA-N	307.306	1.173	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2Cc3cc(F)ccc3O2)n1	373762205	VPVBTIGNIVKJBE-CQSZACIVSA-N	315.304	1.294	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	283786013	SHIQLUZOANIJBI-ZDUSSCGKSA-N	301.293	1.933	50	20	DDGD	
COCc1cccc(C(=O)NNC(=O)N=c2cc[nH]cc2)c1	802028896	JCMDBEZEKYYRFM-UHFFFAOYSA-N	300.318	1.116	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNc1ncnc2ccsc12	807094063	UEQCDNFZKRAEDD-UHFFFAOYSA-N	301.331	1.356	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc21	807966814	QYTJPXWBPOHVCU-MNOVXSKESA-N	321.402	1.384	50	20	DDGD	
O=C(NCc1cccnc1)NNc1ccc2c(=O)[nH]ccc2c1	806274621	KCPRLUQUZKKEPY-UHFFFAOYSA-N	309.329	1.749	50	20	DDGD	
CC(=NNC(=O)c1cccnc1)c1cnnn1-c1ccccc1	807942993	GLIWWCPMGXSMEF-UHFFFAOYSA-N	306.329	1.816	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@H]1Cc2ccc(F)cc21	802035332	FMIAWBRVKDNARS-ZDUSSCGKSA-N	300.293	1.135	50	20	DDGD	
COCCO[C@H]1CCCN(C(=O)NNC(=O)C2CCCC2)C1	801055816	SYAIKUNQPXSEKV-ZDUSSCGKSA-N	313.398	1.045	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2cccc(Cl)n2)CN1C1CC1	293090590	RZWOMAHNNOIUHQ-VHSXEESVSA-N	309.801	1.986	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1cnn(-c2ccc(F)cc2)n1	804773552	LRKOYVABGLSVID-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)[C@H]2CCCN2C2CC2)c1	294018055	VLAIZJLPQSWXMM-OAHLLOKOSA-N	302.378	1.715	50	20	DDGD	
CCC1(CC)[C@H](NC(=O)NNc2ccncn2)[C@H](C)[C@H]1OC	296784016	WAQWVDKOXSKFTR-CYZMBNFOSA-N	307.398	1.942	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O	808247556	FPINHNNBFIUROF-WDSKDSINSA-N	321.126	1.706	50	20	DDGD	
CCC(CC)(CCO)NCC(=O)NNC(=O)c1cccs1	801588301	KXKRPROBZGCQHL-UHFFFAOYSA-N	313.423	1.040	50	20	DDGD	
Cn1ccc(CCC(=O)NNc2nc(-c3ccccc3)no2)n1	815547212	KCTFAQKBPWASHH-UHFFFAOYSA-N	312.333	1.546	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=C1CCN(Cc2ccccc2)C1=O	815000697	PJPBVIAYIRGHEC-UHFFFAOYSA-N	323.356	1.414	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2cccc(Cl)n2)ccn1	817007321	WESFVBCIFMOAPQ-UHFFFAOYSA-N	306.709	1.674	50	20	DDGD	
COC(=O)Cc1occc1C(=O)NNc1ncccc1[N+](=O)[O-]	810526552	BZBRNRVRCKZNLV-UHFFFAOYSA-N	320.261	1.055	50	20	DDGD	
CC(=O)NNC(=O)c1sc(NC(=O)c2ccco2)cc1C	811885781	RDOJRNUSZZLVSY-UHFFFAOYSA-N	307.331	1.683	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1ccnn1CC(F)F	817008593	YNHOKAJKZQMEGF-UHFFFAOYSA-N	301.684	1.954	50	20	DDGD	
Cn1cc(-c2cncc(C(=O)NNc3ncncc3F)c2)cn1	817078145	UBRORMOYSWRYHZ-UHFFFAOYSA-N	313.296	1.168	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1c[nH]nc1-c1ccc(Cl)cc1	816631765	DOLHCJLGEKRBHM-UHFFFAOYSA-N	303.713	1.605	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCc2ccc(C#N)cc21	811643729	IYRGGHRTIKOWPY-NSHDSACASA-N	301.346	1.376	50	20	DDGD	
O=C(NNc1ncncc1F)c1c[nH]c2cccc([N+](=O)[O-])c12	817082687	XKZWEBNAKBSDED-UHFFFAOYSA-N	316.252	1.762	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@H]2CCCSC2)c1O	810191203	RWNLZUHWNBPAOQ-VIFPVBQESA-N	310.375	1.305	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1ccc(OC(F)F)c(F)c1	814956371	UOKGUAWOGIOWHC-UHFFFAOYSA-N	312.251	1.843	50	20	DDGD	
Cn1nncc1NNC(=O)c1cc(Cl)ccc1OC(F)F	816770055	IGEJENMUZJYEAM-UHFFFAOYSA-N	317.683	1.827	50	20	DDGD	
Cn1cc(Cl)cc1C(=O)NNC(=S)NCC1CCC1	727273765	UBFHOIMTVSJKRC-UHFFFAOYSA-N	300.815	1.588	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@H](C)c1ncc(C(=O)OC)s1	818996528	HJCZEUUUOHDUNR-GTUWVTDSSA-N	309.347	1.551	50	20	DDGD	
COC(=O)c1ccc(Cl)c(C(=O)NNC(=O)CC2CC2)c1	819135941	HTEMWFUAIZUKPE-UHFFFAOYSA-N	310.737	1.688	50	20	DDGD	
Cn1nncc1NNC(=O)c1cc(F)cc(C(F)(F)F)c1	816770650	GMLUVVYSTYLNQU-UHFFFAOYSA-N	303.219	1.730	50	20	DDGD	
CC(C)(C(=O)NNc1ncncc1F)c1ccccc1[N+](=O)[O-]	817069852	AODLDFCSEWDJJQ-UHFFFAOYSA-N	319.296	1.945	50	20	DDGD	
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NN(C)C1CC1	819646072	ZTYFDOOKHHDPEI-UHFFFAOYSA-N	312.377	1.276	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=S)NCC2CCC2)cc1	727270469	MUNJDYSLCGCALH-UHFFFAOYSA-N	323.418	1.369	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNc2nc(C)cc(OC)n2)cc1	492045486	UTYMQQMYKPFKTL-RMKNXTFCSA-N	314.345	1.959	50	20	DDGD	
C#C[C@H](CC)NC(=O)NNC(=O)c1ccc(OCC)c(OC)c1	491812045	DQFKLHPMMNJORR-GFCCVEGCSA-N	319.361	1.450	50	20	DDGD	
N#Cc1ccc(SCC(=O)NNC(=O)NCC2CC2)cc1	728518546	IVYUZJIPESSNFA-UHFFFAOYSA-N	304.375	1.391	50	20	DDGD	
C/C=C\COc1cccc(CC(=O)NNC(=O)NCC2CC2)c1	822786353	OHZFPZNAUBCKMZ-IHWYPQMZSA-N	317.389	1.924	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)c2cscn2)cc1OC	728512455	BFVDSZFCTULLQV-UHFFFAOYSA-N	321.358	1.625	50	20	DDGD	
Cc1cc(C)n(-c2ccc(C(=O)NN(C)[C@H](C)CO)cc2F)n1	823959425	IECLQLHYEBSVTQ-GFCCVEGCSA-N	320.368	1.586	50	20	DDGD	
COc1ccc(-c2nc(C(=O)NN(C)[C@H](C)CO)cs2)cc1	823983131	LNOUCNJIXIEGIA-SNVBAGLBSA-N	321.402	1.776	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2cccc(C(=O)O)c2)nc1	821093013	BSNFOUGONVKXCM-UHFFFAOYSA-N	300.318	1.915	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	823952658	TZISHVYPBXWFQB-ZETCQYMHSA-N	321.255	1.571	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCN2C(=O)OC[C@@H]2C1	490873029	CRKOZTIZUPXUSQ-VDBIKXPHSA-N	315.304	1.396	50	20	DDGD	
Cc1cccc(NC(=O)NCC(=O)NNC(=O)OC(C)(C)C)c1	490634090	PYPHPBZTMQAJNV-UHFFFAOYSA-N	322.365	1.672	50	20	DDGD	
COc1cc(Cl)c(Cl)cc1C(=O)N1CC[C@H](B(O)O)C1	585071269	PIWFPEUKDFOUTL-ZETCQYMHSA-N	317.965	1.691	50	20	DDGD	
C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cc(B(O)O)ccc1F	584989776	JDUQLJPLVURSBI-NWDGAFQWSA-N	321.201	1.792	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1CC[C@@H](C2CCCCC2)C1	585007799	OFXFDPLNYMGJEL-CYBMUJFWSA-N	319.185	1.548	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)NC1CCCCC1)c1cnccn1	823645738	RBUVRFBNPJFIAE-LUAWRHEFSA-N	303.366	1.543	50	20	DDGD	
COC[C@@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)C(=O)OC	490845949	UIKAMEBZHRURTD-LWMSPQMPSA-N	306.293	1.037	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(Br)c(F)cc1F	823929021	UKOQYWPGXCSVAQ-LURJTMIESA-N	323.137	1.685	50	20	DDGD	
O=C(NCC1(c2ccccc2)CCC1)c1ccc(B(O)O)cc1	584928375	KCHGZZYLLMEPSA-UHFFFAOYSA-N	309.174	1.218	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12	825529717	MSADZQDQMBFNRM-MBNYWOFBSA-N	302.374	1.821	50	20	DDGD	
COC(=O)N(C)NC(=O)CSc1nc(C)c(C)c(C)c1C#N	495693618	QPNYUWMZSMVSOT-UHFFFAOYSA-N	322.390	1.700	50	20	DDGD	
Cc1cc(C)c2c(N)c(C(=O)NN=Cc3ncc[nH]3)sc2n1	731151680	PCGAEBABGXILSF-UHFFFAOYSA-N	314.374	1.982	50	20	DDGD	
CN(C(=O)c1ccc(B(O)O)c(F)c1)C1CCC(F)(F)CC1	584990525	YCHWZXVZYUOXHT-UHFFFAOYSA-N	315.100	1.155	50	20	DDGD	
O=C(CN1CCC[C@H]1c1ccc(O)cc1)NNC(=O)C1CC1	733194429	QXRIZJIBRHEDNQ-AWEZNQCLSA-N	303.362	1.087	50	20	DDGD	
COc1ccccc1C(=O)NNC(=S)NCCCSC	731489465	APSSXKBQSLXAPU-UHFFFAOYSA-N	313.448	1.557	50	20	DDGD	
CC[C@H](Cc1ccccc1)C(=O)NNc1nnc(C)c(O)n1	732829007	YFJROAGZNNUPQK-GFCCVEGCSA-N	301.350	1.598	50	20	DDGD	
CCOC(=O)C1CCN(C(=O)[C@]2(C)C[C@@H]2Br)CC1	905044660	WTBYNSPHKUCALD-GXFFZTMASA-N	318.211	1.962	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)[C@H]1CCCCO1)N1CCc2ccccc21	833250346	FKXKRDDPPCJBGY-SWLSCSKDSA-N	317.389	1.154	50	20	DDGD	
O=C(NN=Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1	730577892	LWSXSXKXSVPRNQ-MRVPVSSYSA-N	318.757	1.364	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cccc(S(=O)(=O)C(C)C)c1	496064442	VHCWUSODIAVCRG-UHFFFAOYSA-N	314.363	1.212	50	20	DDGD	
O=C(NCB(O)O)c1cc(-c2ccccc2)cc(Cl)c1O	585072684	DHUAFFIBWZDYKA-UHFFFAOYSA-N	305.526	1.454	50	20	DDGD	
CC(C)(C)CNC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836251539	LRBJNIZMBJSLRQ-UHFFFAOYSA-N	308.338	1.797	50	20	DDGD	
CCC(CC)(C(=O)NNC(=O)c1ncon1)c1ccccc1	832825825	ILJIMACWNDPRCD-UHFFFAOYSA-N	302.334	1.589	50	20	DDGD	
CN([C@@H]1CCN(Cc2ccccc2)C1=O)S(=O)(=O)CCl	831237573	WXORXFOQIVWHAP-GFCCVEGCSA-N	316.810	1.245	50	20	DDGD	
CSc1ccc(O[C@@H](C)C(=O)N2CC[C@H](B(O)O)C2)cc1	585065107	DGCBTDCTVJYUJY-QWRGUYRKSA-N	309.196	1.251	50	20	DDGD	
C[C@H](Oc1cccnc1)C(=O)NNc1cnnc2ccccc12	735519901	FZNCIJLKNCUTQP-NSHDSACASA-N	309.329	1.935	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1c(Cl)cccc1C(F)(F)F	907628196	WPWNGYKKHFRZEX-UHFFFAOYSA-N	324.686	1.891	50	20	DDGD	
OB(O)[C@@H]1CCN(Cc2ccccc2OCc2ccncc2)C1	585077472	VOFHYWATJNKJSQ-MRXNPFEDSA-N	312.178	1.709	50	20	DDGD	
COc1ccc([C@H](NCc2ccc(B(O)O)o2)C(C)C)cc1	585014816	FGPVYUVDMKMDIY-MRXNPFEDSA-N	303.167	1.455	50	20	DDGD	
C[C@@H](CN1CCCCCC1)C(=O)NN=CCCc1cnn(C)c1	834933059	HWPKBNYHWPRZCN-HNNXBMFYSA-N	319.453	1.967	50	20	DDGD	
CC(C)CC[C@@H]1CCCN1C(=O)c1ccc(B(O)O)c(F)c1	584962428	FUKVMIMKVNSCNN-ZDUSSCGKSA-N	307.174	1.546	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C1C[C@H](C)n2ccnc21	834920671	NYZQNPSBVRPETB-NSHDSACASA-N	313.361	1.789	50	20	DDGD	
Cc1ncccc1C(=O)OCC(=O)NNC(=O)c1cccs1	731095090	NQPWHRUKACIRFF-UHFFFAOYSA-N	319.342	1.070	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cccc(-c2ncco2)c1C	836636029	CJENPUFWMOOEES-UHFFFAOYSA-N	318.333	1.839	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC)c(-c2nn[nH]n2)c1	735430244	ZHWYTCCXQLXQRG-YRNVUSSQSA-N	310.317	1.084	50	20	DDGD	
CC[C@H](CC(F)(F)F)NC(=O)NNC(=O)[C@@H]1CCCCO1	836401036	YAAMLQNLXMVRAE-BDAKNGLRSA-N	311.304	1.617	50	20	DDGD	
CN(NC(=O)c1cn(C)nc1C(F)(F)F)C(=O)OC(C)(C)C	838366248	QUAOSELBRIAQQG-UHFFFAOYSA-N	322.287	1.951	50	20	DDGD	
O=C(NCc1cn2ccsc2n1)NNc1ccc(Cl)nn1	916219154	YQXVHSDMYBQEJC-UHFFFAOYSA-N	323.769	1.666	50	20	DDGD	
C/C(=C\C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)C(C)(C)C	744354113	BKSPPLVMVLFCGC-LMMOQWNQSA-N	302.440	1.471	50	20	DDGD	
Cc1nn(C(C)(C)C)c(C)c1C(=O)NNC(=O)[C@@H]1CCCCO1	833255917	JIDABWGCRINRDN-LBPRGKRZSA-N	322.409	1.585	50	20	DDGD	
CN1C(=O)CC[C@H]1CC(=O)NNc1cc(F)c(F)cc1F	830821898	ZVVCFFGTZIFBBJ-ZETCQYMHSA-N	301.268	1.558	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)CCc2ccccc2)CCN1C	745858304	OJPKYMZZGMLYMS-UKRRQHHQSA-N	318.421	1.432	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](CO)C1CCCCC1	916631459	RBORJLNVKXTKRT-HNNXBMFYSA-N	319.405	1.880	50	20	DDGD	
NC(=O)C1(C(=O)NNc2ccc(OC(F)(F)F)cc2)CCC1	748502522	YYPRISLRDUTMLR-UHFFFAOYSA-N	317.267	1.684	50	20	DDGD	
C#C[C@H](NS(=O)(=O)c1ccc(CCl)cc1)[C@H]1CCCO1	914391872	NUASURLSJLQMKP-UONOGXRCSA-N	313.806	1.885	50	20	DDGD	
C[C@H](Oc1cccc(F)c1)C(=O)NNc1ncnc2[nH]cnc12	743469875	WIPYNQCQTSUBEU-QMMMGPOBSA-N	316.296	1.403	50	20	DDGD	
Cc1cc(CC(=O)NN=C(CO)c2ccc(F)cc2F)n[nH]1	749613286	WSGRCVCHKGSZHN-UHFFFAOYSA-N	308.288	1.052	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=Cc1cnn(CC)n1	841606685	KOESMJGWJZYZHN-UHFFFAOYSA-N	301.350	1.390	50	20	DDGD	
CC[C@H](SC)C(=O)NNc1ncc(Br)cn1	848321019	FZRAEHMKACQYBA-ZETCQYMHSA-N	305.201	1.824	50	20	DDGD	
CCc1ncc(C=NNC(=O)[C@H](C)CN2CCCCC2)cn1	841614258	JIKJAAFLVWRVAQ-CYBMUJFWSA-N	303.410	1.611	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H]2COc3ccccc3O2)n(C)n1	841605920	XZYQZBXAHKSNKQ-CQSZACIVSA-N	300.318	1.019	50	20	DDGD	
Cc1cnc2cc(C(=O)NNC(=O)NC3CCCC3)ccn12	847401775	QDQUMECFRMHFAJ-UHFFFAOYSA-N	301.350	1.529	50	20	DDGD	
CC[C@H](N)CNC(=O)NNC(=O)CSc1ccc(C)cc1	842004525	FSJHDLIZLLJATL-NSHDSACASA-N	310.423	1.155	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1nn(-c2ccccc2)c2c1CCC2	910174629	GTUDQGHWUADHPZ-GFCCVEGCSA-N	314.389	1.318	50	20	DDGD	
CCOCC(=O)NN=C(C)c1ccc(S(C)(=O)=O)c(F)c1	741764225	CCQBZYYWEHBTKK-UHFFFAOYSA-N	316.354	1.106	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1(c2ccc(F)cc2)CCC1	843647805	ZVIASZQJDLWSBM-FZMZJTMJSA-N	320.364	1.820	50	20	DDGD	
O=C(NNc1ncncc1F)[C@H]1CCO[C@@H](c2ccccc2)O1	848122494	MXISVTVXJYOBOT-IUODEOHRSA-N	318.308	1.563	50	20	DDGD	
N#Cc1cccc(NNC(=O)C[C@H]2Oc3ccccc3NC2=O)c1	748034452	SHLAPWQCHOUMGT-OAHLLOKOSA-N	322.324	1.791	50	20	DDGD	
CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)NN(C)C[C@H](C)O	910161335	XCHOFPLEEQNPBV-NHYWBVRUSA-N	317.430	1.271	50	20	DDGD	
CC(C)(CC(=O)NNc1cccnn1)NC(=O)OC(C)(C)C	740087116	ISKYYBGPXROWHQ-UHFFFAOYSA-N	309.370	1.613	50	20	DDGD	
CCNCCCNC(=O)NNC(=O)c1c[nH]c2ccccc12	841917409	GZCYGOVTKKKJJY-UHFFFAOYSA-N	303.366	1.112	50	20	DDGD	
O=C(CCc1nc(-c2nc[nH]n2)no1)NNc1cccc(F)c1	748091039	AZZWFPQHMMZOMR-UHFFFAOYSA-N	317.284	1.070	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=Cc1ncnn1CC	848401126	UWFJUQISKYVRMM-UHFFFAOYSA-N	317.349	1.226	50	20	DDGD	
CC(C)(C)C[C@@H](NC(=O)NNC(=O)CCCN)C(F)(F)F	841192257	PZLKRPXZZJNGMA-MRVPVSSYSA-N	312.336	1.423	50	20	DDGD	
CN(C)C(=O)NNC(=O)C1(C(=O)OC(C)(C)C)CCCCC1	845337305	SSYNPCPMFYPOSD-UHFFFAOYSA-N	313.398	1.581	50	20	DDGD	
CCN1CCC(=NNC(=O)c2ccc3c(c2)OCO3)[C@H](C)C1	741453530	SENAKCAOOUUXHJ-LLVKDONJSA-N	303.362	1.863	50	20	DDGD	
COc1cccc(NNC(=O)NCC(C)(C)OCC2CC2)n1	841591191	UTOORPIDPLFNEQ-UHFFFAOYSA-N	308.382	1.922	50	20	DDGD	
C[C@H]1CCCC[C@@H]1CC(=O)NNC(=O)C(=O)Nc1ccccn1	758841175	NZDFLGBTUOAXAW-NWDGAFQWSA-N	318.377	1.384	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@@H](C)CO[C@@H]1CCOC1	853838066	CWJJWEVHEHNEME-WCQYABFASA-N	311.357	1.954	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)C1(C)C	852241259	AMIMGULQTRZHQL-GGZOMVNGSA-N	324.356	1.224	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H]1CCN(C(=O)c2ccccc2)C1	858523207	NQPXSACGBUPODV-ZDUSSCGKSA-N	317.389	1.342	50	20	DDGD	
Cc1ccncc1/C=C\C(=O)NNC(=S)N[C@@H](C)C1CC1	855100216	XFONWWXNIJNUNC-GZTOBOFZSA-N	304.419	1.697	50	20	DDGD	
C=C[C@@](C)(O)C(=O)NNC(=O)COc1cc(C)ccc1C(C)C	854185152	WIDNYOJLPXWTLA-QGZVFWFLSA-N	320.389	1.582	50	20	DDGD	
COC1CC(C(=O)NNC(=O)COc2cc(C)ccc2C)C1	858130776	YBLGLEVEUVIQRE-UHFFFAOYSA-N	306.362	1.255	50	20	DDGD	
CC(=NNC(=O)C(N)=O)c1ccc(Cl)c(C(F)(F)F)c1	754701704	WQBLPPDJAFHRPC-UHFFFAOYSA-N	307.659	1.684	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)C(=O)Nc1ccccn1)CC2	758388078	VTJWYZAVYWWWOX-UHFFFAOYSA-N	324.340	1.495	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C[C@@H](OC)C1CC1	853265792	IHHGGSDKQCOOFQ-OAHLLOKOSA-N	306.362	1.991	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N=c2cc(C)[nH]cc2C)c(O)c1	757810146	IKGFRVPKGCLXSY-UHFFFAOYSA-N	314.345	1.601	50	20	DDGD	
CCc1c(C(=O)NNc2cnnn2C)cnn1C(CC)CC	857272852	IPYWSYHBOOJBQE-UHFFFAOYSA-N	305.386	1.692	50	20	DDGD	
N#CSCCCNC(=O)Cc1nnc(O)c2ccccc12	854363263	SKENHHRDTROZEH-UHFFFAOYSA-N	302.359	1.598	50	20	DDGD	
C=CCCOCCCCC(=O)NNC(=O)c1cccc(F)n1	856422988	JQBUKWMKEFMBTF-UHFFFAOYSA-N	309.341	1.745	50	20	DDGD	
O=C(CN[C@H]1CCC[C@H]1Cc1ccccc1)NNC(=O)C1CC1	755073105	WMHSWOPZQFANOA-HOTGVXAUSA-N	315.417	1.545	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1ccc(Br)nc1	756890559	YXPGJKNZMFWLDT-UHFFFAOYSA-N	319.162	1.932	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(O[C@H]2CCOC2)cc1	853295744	RPBCUDXLPNCONQ-HNNXBMFYSA-N	321.377	1.524	50	20	DDGD	
CN(C)c1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)s1	853388521	LPRUPBWGJAQAME-YPMHNXCESA-N	322.434	1.127	50	20	DDGD	
CO/C(=C/c1ccccc1)C(=O)NNC(=S)N[C@@H](C)C1CC1	855100177	WGMSRMGBWUKTKP-IWQAVIMZSA-N	319.430	1.968	50	20	DDGD	
O=S(=O)(CBr)N1CCc2c(O)cccc2C1	859369670	JAPHCYFDGIHIGS-UHFFFAOYSA-N	306.181	1.433	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C[C@@H](C)SC)cc1OC	756854902	HAUMNNCELANOKF-SECBINFHSA-N	312.391	1.606	50	20	DDGD	
O=C(CCn1cccc1)NNC(=O)c1cc(Cl)ccc1O	751058469	AKDOFQQJPHEMIH-UHFFFAOYSA-N	307.737	1.698	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)CCC(=O)N1CCC(O)CC1	855369709	WSBVVIVHTMYGGQ-UHFFFAOYSA-N	323.368	1.341	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2ccccc2F)ncn1	757759355	XPIYHLAKJMEUCF-UHFFFAOYSA-N	305.269	1.091	50	20	DDGD	
CCc1nc([C@@H](C)NCC(=O)NNC(=O)C(C)(C)C)cs1	754795502	YWJNBHURDHUIOS-SECBINFHSA-N	312.439	1.550	50	20	DDGD	
O=C(COC(=O)[C@@H]1C[C@@H]1C1CC1)NNC(=O)c1ccccc1	751749711	ZXKHUIDEGMSAQB-CHWSQXEVSA-N	302.330	1.037	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)c1cccc2ncccc12)C1CC1	859259769	QFUABRARJBOBPS-OAHLLOKOSA-N	313.357	1.811	50	20	DDGD	
CC[C@H](C)c1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1	755267691	AFGYZPQBZIGHOT-NSHDSACASA-N	300.362	1.927	50	20	DDGD	
O=C(NNC(=O)c1cnn(-c2ccc(Cl)cc2)n1)NC1CC1	751713697	QAAIPFLOXVXSPY-UHFFFAOYSA-N	320.740	1.027	50	20	DDGD	
COCCOCC(=O)NNC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1	869909273	OZAZRUCCJKGJOX-CHWSQXEVSA-N	314.426	1.649	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CCN(C)C2CCCCC2)n[nH]1	869016913	UABUQBILRWOIBL-UHFFFAOYSA-N	321.425	1.063	50	20	DDGD	
CC(C)(C)OC(=O)NCC1(C=NNC(=O)c2cn[nH]c2)CCC1	863153898	GXSZUHURSOWPER-UHFFFAOYSA-N	321.381	1.820	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)c1	862475737	VOGVNHYSPCMBBQ-SNVBAGLBSA-N	323.418	1.465	50	20	DDGD	
COc1cc(C(=O)NNC(=S)N[C@H](C)C2CC2)sn1	862150597	VRTGMLQZYRRAAY-ZCFIWIBFSA-N	300.409	1.059	50	20	DDGD	
CCCCCNC(=O)/C(C#N)=C/c1cn(C[C@@H]2CCCO2)nn1	865216049	CJGUZYYNPNGGNJ-GLNPCMGASA-N	317.393	1.670	50	20	DDGD	
CN(C(=O)COC(=O)[C@@H](Br)C(C)(C)C)C1CC1	766746454	GZVLGAMGXADDET-SNVBAGLBSA-N	306.200	1.960	50	20	DDGD	
Cc1csc(C(=O)NNS(=O)(=O)C[C@@H]2CCCCO2)c1	863413985	PDMDWGNJMPCQPX-JTQLQIEISA-N	318.420	1.190	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cccc(-c2nc(C)co2)c1	763439013	ZHQZBMIKDKSYLP-UHFFFAOYSA-N	316.317	1.146	50	20	DDGD	
COCCN1CCN(C(=O)[C@@H](Br)C(C)(C)C)CC1	768125556	OMKDRYDNOUODHY-LLVKDONJSA-N	321.259	1.587	50	20	DDGD	
O=C(NN=CC1(CN2CCOCC2)CCCCC1)c1cn[nH]c1	863155102	XABVWWYRDLXESX-UHFFFAOYSA-N	319.409	1.408	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1cccnc1Br	865215848	ZNJQRCZNFDXAED-DHZHZOJOSA-N	324.178	1.904	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2CC(C(=O)OC(C)(C)C)=NO2)n1	862520217	LZFXQAVAFYJHII-NSHDSACASA-N	320.349	1.320	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN(CC(F)F)C1)c1ccccc1	864412113	ILRWGONSKOWCQD-GFCCVEGCSA-N	311.332	1.425	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H]1CCN1C1CCCC1	862466937	SJCYFJAGOSFMBA-CQSZACIVSA-N	317.389	1.473	50	20	DDGD	
C=CCc1cc(C(=O)NNC(=O)C(C)C)cc(OC)c1OC	761449770	JZWIQZPPXGKBSQ-UHFFFAOYSA-N	306.362	1.849	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@@H]1CCN1C1CCCC1	862468162	SOLCPQFDEMXNOS-HNNXBMFYSA-N	319.380	1.533	50	20	DDGD	
COCCN(C)NC(=O)c1cc(-c2cccc(OC)c2)no1	861657225	RBTSZBDNRKKGPC-UHFFFAOYSA-N	305.334	1.573	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H](O)[C@@H](C)c2ccccc2F)n1	864822493	AZWIWKJLMZDOJV-TVQRCGJNSA-N	320.324	1.232	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1cc(C)c(Br)s1	1117132643	MAGSSOJRUBYWLU-UHFFFAOYSA-N	319.180	1.832	50	20	DDGD	
Cc1cc(=NNC(=O)Cc2cccc(N3CCCC3=O)c2)cc[nH]1	862511794	BAZHIXGRVMCQEH-UHFFFAOYSA-N	324.384	1.625	50	20	DDGD	
CCOC(=O)c1nn(C)cc1C=NNC(=O)NC1CCCCC1	769762519	DNXPESYRUQSVCA-UHFFFAOYSA-N	321.381	1.563	50	20	DDGD	
C[C@@H](NNC(=O)[C@H]1CCCN(CC(F)(F)F)C1)C(F)(F)F	862309661	SKCMMEOIJCMMQP-SFYZADRCSA-N	321.265	1.832	50	20	DDGD	
O=C(NNc1ccccc1)NC1CCN([C@H]2CCC[C@H]2O)CC1	769157511	WHSFLOWHHWHHNP-JKSUJKDBSA-N	318.421	1.691	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccnn2C2CCCC2)o1	765811082	BATLTEHXNFTMSG-UHFFFAOYSA-N	302.334	1.974	50	20	DDGD	
Cc1ccc([C@H](NC(=O)NNC(=O)c2cn[nH]c2)C2CC2)cc1	875037789	BSYVOAQWSQSNJJ-AWEZNQCLSA-N	313.361	1.813	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1c[nH]c2cccc([N+](=O)[O-])c12	762972567	HMXGXPUDMDHZBB-UHFFFAOYSA-N	302.290	1.637	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1nc2ccccc2[nH]1	768501550	IHUKTCOFRBWEKR-SECBINFHSA-N	319.365	1.919	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NNc1cc(Cl)ccc1F	871271593	RKWHGBZKEJWYIY-SNVBAGLBSA-N	315.776	1.891	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNc1nccnc1Cl)C(C)C	878857928	UKGLXJCOUKQPJL-MRVPVSSYSA-N	300.746	1.408	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1ccc2ccccc2c1	877910426	OISSTCTWPBJJDM-UHFFFAOYSA-N	317.345	1.656	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(CC(F)F)C(C)C)c1	777605972	YGAQDQPVTVOJNJ-UHFFFAOYSA-N	313.348	1.732	50	20	DDGD	
Cc1ocnc1C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	772970483	UFXWUGPUKDZONW-SECBINFHSA-N	323.736	1.865	50	20	DDGD	
COC[C@@H](C)C(C)=NNC(=O)c1nn(C)c(=O)c2ccccc12	777879569	VWTUDPWSSPHFDL-SNVBAGLBSA-N	316.361	1.322	50	20	DDGD	
O=C(NNc1ccccn1)c1cc2c(c([N+](=O)[O-])c1)OCO2	778967844	JSMZUSWFQZHDHJ-UHFFFAOYSA-N	302.246	1.475	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H](C)OC[C@H]1CCCO1	777773146	UGGQJSYQRHIXIP-NWDGAFQWSA-N	322.361	1.500	50	20	DDGD	
Cc1cc2c(cc1C)[C@H](C(=O)NNC(=O)c1ccccn1)CO2	770201787	DBURPQVONAQHLQ-CYBMUJFWSA-N	311.341	1.636	50	20	DDGD	
N#CSCCCNC(=O)CCc1nc(-c2ccoc2)no1	773588537	OQLQPKDQLQHCNH-UHFFFAOYSA-N	306.347	1.983	50	20	DDGD	
Cc1ccc(N)c(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)c1	771988895	NSPBYVHPUWOASZ-LLVKDONJSA-N	321.377	1.316	50	20	DDGD	
CC[C@@H](COCC(F)(F)F)NC(=O)NN(C)C(=O)OC	875630454	OEJGIJCVBZOSJQ-ZETCQYMHSA-N	301.265	1.256	50	20	DDGD	
Cc1ccc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)cn1	771971478	ZXMQNPWIJWDGQR-NSHDSACASA-N	307.350	1.129	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1[nH]c2c(c1C)C(=O)CCC2	887139291	JDBRBZZFMJMOFS-UHFFFAOYSA-N	301.346	1.407	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cccc(CN2CCCC2)c1	887142041	TZNVFLXWOSIGPA-UHFFFAOYSA-N	313.401	1.847	50	20	DDGD	
C[S@@](=O)c1ccc(CNS(=O)(=O)CCCCl)cc1	881976525	XRMPPSKXDPOFMF-QGZVFWFLSA-N	309.840	1.472	50	20	DDGD	
C[C@H](CCNC(=O)NNC(=O)c1cccnn1)c1ccccc1	883269824	XQSCXQZQRNEROS-GFCCVEGCSA-N	313.361	1.614	50	20	DDGD	
COc1cc(NNC(=O)N[C@@H](C)C[S@](C)=O)ccc1Cl	789179596	LTDWPCKGCRXURG-FHZGZLOMSA-N	319.814	1.742	50	20	DDGD	
CN(C(=O)COC(=O)/C(C#N)=C\c1ccccc1)C(C)(C)C#N	785363561	CHQJGTMSFRPLCC-ZROIWOOFSA-N	311.341	1.897	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccccc1O)[C@H]1CCCOC1	780860777	GPEUZKQSXGJFQH-QWRGUYRKSA-N	307.350	1.151	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C	887150452	LFAGGBJSKQRFHA-NSHDSACASA-N	311.382	1.193	50	20	DDGD	
O=C(NNc1ncncc1Cl)Nc1ccnn1CC1CC1	782076628	APZPWQYYGJOFKL-UHFFFAOYSA-N	307.745	1.885	50	20	DDGD	
Cn1nncc1NNC(=O)Cn1nc(C(F)F)cc1C(F)F	1120078741	INZYKICATYNLQA-UHFFFAOYSA-N	321.238	1.030	50	20	DDGD	
CC(C)CCOc1ccc(C(=O)NNC(=O)C2(C)COC2)cc1	782191115	LJWAQTRCIORJPE-UHFFFAOYSA-N	320.389	1.909	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2ccc(OC)nc2)cc1	783034853	KPCOKQACZKGAKY-UHFFFAOYSA-N	316.317	1.181	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1CCc2cc(OC)ccc2C1	899939892	YWMOMQXJYMUGLI-CYBMUJFWSA-N	319.430	1.481	50	20	DDGD	
CCN(C)[C@H](C(=O)NNC(=S)NC(C)(C)C)c1ccccc1	899995000	DDSBQZAQZLBWFT-ZDUSSCGKSA-N	322.478	1.973	50	20	DDGD	
COC(=O)COc1cccc(C(=O)NNc2ccnc(F)c2)c1	781366551	JWAVTMCGGISXEG-UHFFFAOYSA-N	319.292	1.529	50	20	DDGD	
C=C(CBr)CN1CCSC[C@H]1C(=O)OCC	791446588	XKJOAYXOJVWDIX-JTQLQIEISA-N	308.241	1.918	50	20	DDGD	
CC1(C)CC(C(=O)NNC(=O)c2nnc(O)c3ccccc23)C1	794613251	KIUHAEXKUBELJE-UHFFFAOYSA-N	314.345	1.533	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cn(C)nc1-c1ccccc1	798304478	VEFHLIUDSKKQGF-UHFFFAOYSA-N	315.402	1.382	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCCCn2ccnc2)n1	792839802	OZPUIZMHRZWGPX-UHFFFAOYSA-N	316.365	1.011	50	20	DDGD	
CCOCCC1(C(=O)NNC(=S)NC(C)(C)C)CCC1	899995991	CUZVAFBWFGCZKZ-UHFFFAOYSA-N	301.456	1.877	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)C(=O)Nc1cncc(F)c1	799260544	YRQJMNJLULOPJD-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2ccc(Cl)cc2F)C(=O)O1	896380593	IUHPSJRLIVTNDL-QUBYGPBYSA-N	301.705	1.809	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42	798124133	IQXPMRVVYFWBGR-UVDRMBIFSA-N	319.474	1.674	50	20	DDGD	
COc1cc(C)ccc1C(C)=NNC(=O)N1CCN(C)CC1	790179150	SJJNMCSYNRACQK-UHFFFAOYSA-N	304.394	1.685	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN[C@H]2CSC[C@@H]2C)c1	796395633	QPWKZWCDBAOTFC-AAEUAGOBSA-N	307.419	1.097	50	20	DDGD	
Cc1cccnc1NNC(=O)Cn1cc(C(N)=O)c2ccccc21	791224897	JNXPDPCKLRYRIM-UHFFFAOYSA-N	323.356	1.587	50	20	DDGD	
C=C(CBr)COC(=O)c1ccnc(C(=O)OC)c1	795633975	CXIRIGGEXSBMMG-UHFFFAOYSA-N	314.135	1.976	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=C1CCOc2ccc(Cl)cc21	794456551	JCMLDXJGJGXTGX-UHFFFAOYSA-O	316.768	1.931	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc(-c3ccco3)on2)n1	794080605	UUPZRPIHLZWJEC-UHFFFAOYSA-N	312.285	1.713	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)N2CCOCC2)[C@H](n2cncn2)C1	794500301	XKJKQEFYERZBPP-DGCLKSJQSA-N	306.370	1.037	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)C(=O)Nc1cccc(F)n1	793051346	PRHPPUKPQDROBC-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
O=C(O)c1ccccc1C=NNC(=O)c1n[nH]c2c1CCCC2	1318032322	OBIFWMAHCVJOFR-UHFFFAOYSA-N	312.329	1.751	50	20	DDGD	
O=C(CCl)N1CCCN(S(=O)(=O)c2ccccc2)CC1	1319674610	QWKGHEQNMKADBU-UHFFFAOYSA-N	316.810	1.148	50	20	DDGD	
CS[C@H]1CC[C@H](N(C)CC(=O)NNC(=O)C(C)(C)C)C1	1324185093	CYUDEQMOXOZCAB-QWRGUYRKSA-N	301.456	1.396	50	20	DDGD	
CCn1c(NNC(=O)CNCC(C)C)nc2ccccc2c1=O	1326278430	VDKWIMWZSDIYJN-UHFFFAOYSA-N	317.393	1.105	50	20	DDGD	
Nc1cnnc(NNC(=O)NC2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)c1Cl	1324088624	SIUYOTPLCVTBIC-XRRXOLGASA-N	308.773	1.383	50	20	DDGD	
Cc1nn(C(C)C)c(C)c1CC(=O)NNC(=S)NC(C)C	1324433715	ZUOJBDOAOXYNSG-UHFFFAOYSA-N	311.455	1.527	50	20	DDGD	
Cn1ccc(NNC(=O)[C@@]2(C(=O)OC(C)(C)C)CC=CCC2)n1	1328831688	CVBFBIGFQJEZSQ-MRXNPFEDSA-N	320.393	1.931	50	20	DDGD	
CCC[C@@H]1CCCC[C@H]1CNC(=O)NNC(=O)C1CCNCC1	1325367525	YNWADUJCXTVPHY-HIFRSBDPSA-N	324.469	1.923	50	20	DDGD	
CCCCc1ccc(NC(=S)NNC(=O)C(=O)OC)cc1	1323497547	XYVATBYELGWSGA-UHFFFAOYSA-N	309.391	1.520	50	20	DDGD	
C[S@](=O)c1ccc(C=NNC(=O)NCc2ccco2)cc1	1322321890	ANZXMVQMBSJOCH-NRFANRHFSA-N	305.359	1.850	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H](CC1CCC1)c1ccccc1	1337416694	ZKXHQKJLCPNIQC-ZDUSSCGKSA-N	319.361	1.421	50	20	DDGD	
Cc1csc(C(=O)NNc2nc(O)c3ccccc3n2)n1	1252858960	BLNVVLFFIBQEMU-UHFFFAOYSA-N	301.331	1.857	50	20	DDGD	
CN(CC(C)(C)C)C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1334702580	LAJIVJAVQDFEHE-NOZJJQNGSA-N	319.243	1.781	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@H]2CCCSC2)cc1	1261105197	JEXQUGIJXQAORR-LLVKDONJSA-N	323.418	1.782	50	20	DDGD	
CCN(CC)CC[C@@H](C)NC(=O)NNc1ccc(C#N)cn1	1528402200	XJJRTOLAYMRULL-GFCCVEGCSA-N	304.398	1.700	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccccc1S[C@@H](C)C(=O)O	1605495414	YNHUKDQEOSGFGE-QMMMGPOBSA-N	311.363	1.216	50	20	DDGD	
CSSCCNC(=O)NNc1ccc(CC(=O)O)cc1	1607400688	NCHAVWMPEMOBJM-UHFFFAOYSA-N	315.420	1.951	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1c[nH]nc1[C@H]1CCCO1	1606528379	CPFUDBLETCXJEG-SNVBAGLBSA-N	317.305	1.111	50	20	DDGD	
Cc1ccc(NNC(=O)c2cnc(C(=O)O)cn2)cc1Cl	1607809189	JJWCGIHTSCNFTJ-UHFFFAOYSA-N	306.709	1.894	50	20	DDGD	
O=C(O)[C@@H]1CSCCN1CCCI	1601860274	LEBHOUGBHRFIJW-ZETCQYMHSA-N	315.176	1.314	50	20	DDGD	
O=C(C[C@@H]1CCCC[C@H]1O)NNc1cccc(C(=O)O)c1F	1601352118	LBCBNRPLIGDWGA-JOYOIKCWSA-N	310.325	1.908	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(C(=O)O)ccc1OC(C)C	1604859073	OYBJWVYSZRALFN-UHFFFAOYSA-N	309.322	1.735	50	20	DDGD	
O=C(CSCc1ccccn1)NNc1ccc(C(=O)O)cn1	1610671928	ABBLYXAVTQYMEE-UHFFFAOYSA-N	318.358	1.551	50	20	DDGD	
O=C(O)c1occc1C=NNC(=O)c1cncn1-c1ccccc1	1610872706	IWALTPBAOFEGBA-UHFFFAOYSA-N	324.296	1.927	50	20	DDGD	
Cc1ccc(C)c(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)c1	1549317229	WAURUQIEWNGKHT-HOTGVXAUSA-N	301.390	1.617	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@@H]2C=NNC(=O)c2cn[nH]c2)cn1	1552673327	VYTDURYCUHBEKN-ZWNOBZJWSA-N	302.338	1.027	50	20	DDGD	
CSSCCNC(=O)c1c(C)cnn1[C@@H]1CCCNC1	1579385262	XAUGCDKHXNCOSA-LLVKDONJSA-N	314.480	1.857	50	20	DDGD	
C[C@@H]1OC(C)(C)N[C@@H]1C(=O)NC[C@@]1(C)C[C@H]1Br	1576895404	BRFACCOYJAPTIS-KIKITERTSA-N	305.216	1.389	50	20	DDGD	
CNNC(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C	1578741120	DKWKDROYPWNING-NHXNDTTKSA-N	302.378	1.442	50	20	DDGD	
CS(=O)(=O)c1ccc(NNC(=O)C[C@H]2CC[C@@H](N)C2)cc1	1579351342	JSZSALOJOCVDGP-WDEREUQCSA-N	311.407	1.051	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@]2(C)CCCNC2)ccc1F	1578860231	HUHNXGCNSYFKMB-OAHLLOKOSA-N	309.341	1.445	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)CC(=O)NNC(=O)CCCCCN	1579916674	DJOXDISLJSXZMH-JTQLQIEISA-N	310.398	1.452	50	20	DDGD	
CCCCCC[C@H](CC)C(=O)NN(C)C(=O)N1CCNCC1	1577426043	FPLLJBLXJWZHOH-AWEZNQCLSA-N	312.458	1.971	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C(=O)O)c1ccc(Cl)c(Cl)c1	1599894452	WANDNZWBYWCBLB-YFKPBYRVSA-N	320.132	1.469	50	20	DDGD	
O=S(=O)(CCl)N1CCCc2c(-c3nn[nH]n3)cccc21	1593420978	OEKGDOBMPKVROB-UHFFFAOYSA-N	313.770	1.145	50	20	DDGD	
CO[C@@H]1CCC[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)C1	1591353100	GZKXNDNCTYIKOR-WCQYABFASA-N	316.365	1.515	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1CC2(CC2)C1	1593160618	HAGKARXMHQWHIU-UHFFFAOYSA-N	319.756	1.548	50	20	DDGD	
C[C@@H](CC(=O)O)CC(=O)NNc1cc(O)nc2ncccc12	1592391362	IOBJRJVVRWDHBX-MRVPVSSYSA-N	304.306	1.279	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CS1	1590219463	SDLIGAKXUPMKIL-SECBINFHSA-N	316.390	1.868	50	20	DDGD	
Cc1cccc2c1NC(=O)C2=NNC(=O)c1ccc(C(=O)O)cc1	1776099014	LQNMQEYWFFFAKK-UHFFFAOYSA-N	323.308	1.779	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc(/C=C\C(=O)O)o1	1776129799	WWLSWEXYZLNPPJ-AZFXQDNWSA-N	304.302	1.437	50	20	DDGD	
COc1ccccc1C(=O)NNC=C1C(=O)CC(C)(C)CC1=O	5424091	IGECDFFTXVDBHG-UHFFFAOYSA-N	316.357	1.772	50	20	DDGD	
CC1CCN(CC(=O)NNC(=O)c2ccccc2Cl)CC1	15378715	YSPAFBWVMVOIPC-UHFFFAOYSA-N	309.797	1.833	50	20	DDGD	
Cc1ccc(C)c(C(=O)NNC(=O)C(=O)Nc2ccccn2)c1	152047457	ZDLAOIPFGBZBOH-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
COc1ccc(NNC(=O)Cc2ccc(C)nc2)c([N+](=O)[O-])c1	155254231	FQVLBGAXOCZSRI-UHFFFAOYSA-N	316.317	1.993	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CNC(=O)CC(C)(C)C)c1	156800178	GBMWHLDBZLNPIC-UHFFFAOYSA-N	311.357	1.830	50	20	DDGD	
COc1ccnc(NNC(=O)c2sc(N(C)C)nc2C)n1	154895231	ROZMSAKFZRYZQY-UHFFFAOYSA-N	308.367	1.073	50	20	DDGD	
O=C1OCCN1[C@@H]1CCN(C[C@@H](CBr)C2CC2)C1	859351490	WIZHZAJZTINVLK-VXGBXAGGSA-N	317.227	1.934	50	20	DDGD	
CCN1CCC[C@@H](CN(C)C(=O)CCl)[C@H]1c1cnn(C)c1	1887532548	DYLZLMRKRQNDAH-WFASDCNBSA-N	312.845	1.890	50	20	DDGD	
O=S(=O)(CBr)NCC[C@H]1CCCC[C@H]1O	907482075	AJALMIBIQAOTLD-RKDXNWHRSA-N	300.218	1.199	50	20	DDGD	
O=C(CSCc1cccnc1)NNC(=O)Cc1cccnc1	103423829	BJQNLBKVNRKNDJ-UHFFFAOYSA-N	316.386	1.100	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCC(=O)N(CC)Cc1ccccc1	178960496	ATIOWUIFCQQMTP-FYWRMAATSA-N	315.373	1.595	50	20	DDGD	
CC(C)(C)CC(=O)N1CCC(=NNC(=O)c2cccnn2)CC1	1262037876	NYINJMMPOGDOIQ-UHFFFAOYSA-N	317.393	1.621	50	20	DDGD	
O=C(C[C@@H]1OC(=O)c2ccccc21)NNC(=O)NCC1CC1	68456101	UGYGQYKCQUNGQB-LBPRGKRZSA-N	303.318	1.029	50	20	DDGD	
O=C(NNc1ccccc1)N[C@@H]1CCN(CC(F)(F)F)C1=O	114966928	TULQGHJDKFNGAR-SNVBAGLBSA-N	316.283	1.476	50	20	DDGD	
C#CCCCNC(=O)NNC(=O)COc1cc(C)cc(C)c1	173327738	UIRVGCWYDIAEGK-UHFFFAOYSA-N	303.362	1.426	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccccc1N1CCN(C)CC1	65772140	JXZDQLCFUVZYIC-UHFFFAOYSA-N	321.381	1.221	50	20	DDGD	
O=C(NNc1nc(Br)cn2ccnc12)c1ccco1	176192161	YPAGHUOHPWONMV-UHFFFAOYSA-N	322.122	1.842	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(C(=O)NC3CC3)cc2)ncn1	179041528	SJZLNRNLIUNMKP-UHFFFAOYSA-N	311.345	1.434	50	20	DDGD	
CCC1(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)CCC1	176700631	SSJPOWGSWRFWOV-UHFFFAOYSA-N	324.402	1.431	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@H]2C[C@@H]2C2CC2)cn1	175526851	IPRCERHOSMTFOZ-MNOVXSKESA-N	306.391	1.454	50	20	DDGD	
COCCc1ccccc1NC(=O)NNC(=O)c1cccnc1	189418066	RKTDCALJNZGSNS-UHFFFAOYSA-N	314.345	1.737	50	20	DDGD	
Cc1noc(-c2ccc(C(=O)NNc3ncc(F)cn3)cc2)n1	122955945	QVDGQRDSPCTLQA-UHFFFAOYSA-N	314.280	1.731	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)ccc1O)c1cc(C2CC2)[nH]n1	74291135	WKAZDGOAGRYKFP-UHFFFAOYSA-N	320.736	1.721	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1csc([N+](=O)[O-])c1	120183976	PIRJPAZETMFURU-ZCFIWIBFSA-N	307.353	1.012	50	20	DDGD	
CCc1cnc(CNC(=O)NNC(=O)c2ccccc2O)s1	74843196	DVIKRIWKPJHWTJ-UHFFFAOYSA-N	320.374	1.555	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCC(=O)OCC1CC1	182595437	SJZXXJYCKFHMDT-NTUHNPAUSA-N	302.305	1.802	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)c2ccc(C)o2)cc1O	187798022	OCWXYPZSNXPWAV-VMPITWQZSA-N	316.313	1.777	50	20	DDGD	
C=CCCC[C@H](C)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1	181099883	RAWVNWFVGLDGRX-WCQYABFASA-N	303.428	1.112	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(Cl)ccn2)c(O)c1	130080184	QCJDSFUXNXIKPL-UHFFFAOYSA-N	305.721	1.824	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNc1ncccn1)c1cccs1	43144233	QMCKLQGJMDZIQF-JTQLQIEISA-N	306.395	1.467	50	20	DDGD	
CN(CCCNC(=O)NNc1ncccn1)c1ccccc1	43236009	NHHSBRVVPIBNSF-UHFFFAOYSA-N	300.366	1.629	50	20	DDGD	
CC[C@H]1CCC[C@H]1NC(=O)NNC(=O)Cn1nc(C)cc1C	132132397	JDSVKEZJJZXHQW-QWHCGFSZSA-N	307.398	1.409	50	20	DDGD	
CCn1cc(NC(=O)NNC(=O)CCc2ccccc2)cn1	195146865	NCRFPGOZWDNHQO-UHFFFAOYSA-N	301.350	1.689	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1Cl	190549040	USEXOBOIQIAPLH-UHFFFAOYSA-N	323.780	1.503	50	20	DDGD	
O=C(NNc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)o1	137160774	BHHGQNSWBWESFI-UHFFFAOYSA-N	304.693	1.926	50	20	DDGD	
CN(C)C(=O)NNC(=O)CSCc1ccc(Cl)cc1	194936490	OAIGTEVWLBBXLN-UHFFFAOYSA-N	301.799	1.876	50	20	DDGD	
Cn1ncc2c1CCC[C@H]2NC(=O)NNC(=O)c1ccccc1	47003447	CNIUGTGQNIBPAW-CYBMUJFWSA-N	313.361	1.442	50	20	DDGD	
C[C@H]1CCC[C@H](NC(=O)NNc2ccc(-n3cccn3)nn2)C1	47035168	MYKHLYBIPSJEGN-RYUDHWBXSA-N	315.381	1.867	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2nn(-c3ccccc3)cc2O)n1	192995323	WXOQSDPQTZOZER-UHFFFAOYSA-N	324.344	1.742	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2cccc(C(N)=O)c2)n1	193197954	CYDSHOXWFHMZHI-UHFFFAOYSA-N	300.322	1.341	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)c2ccc(C#N)cc2)cn1	144611210	YPKCTAFNNJZXQE-UHFFFAOYSA-N	309.329	1.406	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc(CC#N)cc1	94120718	WHTKPNMXOTYAEU-UHFFFAOYSA-N	308.432	1.225	50	20	DDGD	
COc1ccc(OCC(=O)NN=C2CN3CCC2CC3)cc1	254796122	XXNRNHIDLDXDDJ-UHFFFAOYSA-N	303.362	1.272	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)c2ccccc2OC)C[C@H](C)O1	264870023	RAXCJLVCCTWACK-RYUDHWBXSA-N	321.377	1.549	50	20	DDGD	
O=C(CCCc1ccc2c(c1)CC(=O)N2)NNC(=O)C1CC1	264270951	LOLJGPSZNNSZHJ-UHFFFAOYSA-N	301.346	1.061	50	20	DDGD	
CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NNc1cnccn1	265172519	OUZQMFMSMGNTJR-INJWIWPUSA-N	321.406	1.178	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCN1Cc1ccccc1)C1CCC1	266823364	IZFCWTYLLRWVPF-MRXNPFEDSA-N	315.417	1.989	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCc1c(C)noc1C	264539776	PWHVDAROACFFSV-UHFFFAOYSA-N	316.361	1.787	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)Cc1nccn1C	266875861	ZBDPIXPDZZWIAZ-UHFFFAOYSA-N	309.801	1.744	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc1	368131358	MAEAUQTYRYCQSP-SOUVJXGZSA-N	302.374	1.825	50	20	DDGD	
CCNC(=O)N(C)NC(=O)/C=C/c1ccc(OCC)c(OC)c1	273020671	RHJOLCYZVVLFHU-CSKARUKUSA-N	321.377	1.800	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)Nc1ccc2ncccc2c1	274102225	XBAQXLBHHGUDDE-UHFFFAOYSA-N	312.329	1.121	50	20	DDGD	
N#CC1=CCN(C(=O)CCn2cnc3ccccc3c2=O)CC1	271129505	PTBOJEWGXKECFQ-UHFFFAOYSA-N	308.341	1.469	50	20	DDGD	
C=Cc1ccc(C(=O)NNC(=O)C(C)(OCC)OCC)cc1	278546975	GEYPERISOSFRPQ-UHFFFAOYSA-N	306.362	1.880	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1c(F)cccc1F	276488765	ACJMPIKSTSSRRR-UHFFFAOYSA-N	316.304	1.515	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2c(F)cccc2F)[C@@H]1OC	275190543	FMRPOHUXPGOKAV-WZRBSPASSA-N	315.320	1.783	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C1(OC)CCC1	272895639	JIPJPCMOMPKMTA-UHFFFAOYSA-N	322.361	1.181	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1cccc(C)c1C	272337552	LUMOIKHFDKFZJB-GFCCVEGCSA-N	309.366	1.508	50	20	DDGD	
CCN(CC)CCCNC(=O)NNC(=O)c1cccc(C)n1	279556633	DUVBBRCIDHABGB-UHFFFAOYSA-N	307.398	1.066	50	20	DDGD	
CSCC(C)(C)C(=O)NNC(=O)COc1ccccc1F	282075709	NQBRTNHJHISWHX-UHFFFAOYSA-N	314.382	1.741	50	20	DDGD	
COC(=O)N(C)NC(=O)CCOc1ccc(C=O)cc1OC	286232093	GDBKFTAUZIIELS-UHFFFAOYSA-N	310.306	1.006	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)COCc2ccccc2)CC1	281685377	MPIVUZSGQORLJZ-UHFFFAOYSA-N	306.362	1.167	50	20	DDGD	
CC(C)c1scnc1NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	296835879	ACCAYDFRCKYSMS-IUCAKERBSA-N	312.395	1.987	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H]1CCC[C@H](C(N)=O)C1	805375561	PRKPKHQQCCONAZ-WDEREUQCSA-N	320.349	1.638	50	20	DDGD	
Cc1nsc(NC2CC2)c1C(=O)NNc1ncncc1F	294128836	TZQIKLVWYBYENG-UHFFFAOYSA-N	308.342	1.712	50	20	DDGD	
CN(C)CCC1CCN(S(=O)(=O)CBr)CC1	700845326	MNQVGIYBVOCDCC-UHFFFAOYSA-N	313.261	1.332	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNC(=O)CC(F)(F)F)cn1	806537882	XEDDKMQHKQNCBZ-UHFFFAOYSA-N	304.272	1.488	50	20	DDGD	
O=C(CC1(O)CCCC1)NNC(=O)Nc1cc(F)cc(F)c1	802004017	BSDWYAOPVHVFGV-UHFFFAOYSA-N	313.304	1.813	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccnc3c2ncn3C)cc1	805151520	VTHYOHAXSYIUPE-UHFFFAOYSA-N	323.356	1.606	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CNC(=O)c1cccc(F)c1	808247909	VNPSXKYKQQSGFW-UHFFFAOYSA-N	307.152	1.818	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccccc1N(C)C(=O)C1CC1	804125829	AJHROBRUJNQRFO-UHFFFAOYSA-N	305.334	1.402	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cccc(C#N)n2)c2ccccc21	809984063	ZZHJLSSUTHGGTE-UHFFFAOYSA-N	319.324	1.520	50	20	DDGD	
Cc1nn(C)c(C)c1CCC(=O)NN(C)C(=O)OC(C)(C)C	297710105	QCPDJRZYTLTFBB-UHFFFAOYSA-N	310.398	1.868	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc(C2CC2)nc1C	295063430	ZGBGJFKIYNDPDH-UHFFFAOYSA-N	324.475	1.739	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)[C@@H]2CC=CCC2)cc1	291351499	XKDVHRUXUQVHBN-GFCCVEGCSA-N	323.418	1.736	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)N[C@@H]1CC(=O)N(C2CC2)C1	292971060	IITZBPSVDOMQAN-MRVPVSSYSA-N	309.757	1.124	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2c(C)nn(C(C)C)c2C)o1	292615352	XKDQMJIBHWQXLC-UHFFFAOYSA-N	318.377	1.986	50	20	DDGD	
O=C(COCC1CC1)NNC(=O)Cc1cccc2ccccc12	298806354	MYUIRPDZOFHBFI-UHFFFAOYSA-N	312.369	1.956	50	20	DDGD	
COc1ccc([C@H](C)NC(=O)NNC(=O)[C@H]2CCCCO2)cc1	296332932	LUDZRRVWGBKEOA-SMDDNHRTSA-N	321.377	1.656	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@H]1CCCC12CCOCC2	800740287	LSABSJAPAUYUAB-VIFPVBQESA-N	323.315	1.619	50	20	DDGD	
Cn1ncc(C=NNC(=O)CC23CC4CC(CC(C4)C2)C3)n1	814730943	JBWKVZKIPWTBFT-UHFFFAOYSA-N	301.394	1.872	50	20	DDGD	
CC(=O)N/C(=C/c1cccs1)C(=O)NNC(=O)C1CCC1	817534191	PWPBYVLHMGPGKX-XYOKQWHBSA-N	307.375	1.173	50	20	DDGD	
O=S(=O)(CBr)N1C[C@@H](CO)c2ccccc21	814402717	MTBBYDGIIASSBT-QMMMGPOBSA-N	306.181	1.265	50	20	DDGD	
Cc1[nH]c(C(=O)NNc2cnnn2C)c(C)c1C(=O)OC(C)C	816769837	YUMUKOJERYEQPG-UHFFFAOYSA-N	320.353	1.082	50	20	DDGD	
Cc1c[nH]nc1C=NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	814857157	XARWHLHQOKPMNK-UHFFFAOYSA-N	321.362	1.277	50	20	DDGD	
CC(CCc1ccc(O[C@H](C)C(=O)O)cc1)=NN(C)C(N)=O	814891646	ZSBWIUKFLNUWDL-LLVKDONJSA-N	307.350	1.858	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)CCCC2CC2)cc1	812455520	IRURYIJLKVLNDX-UHFFFAOYSA-N	305.378	1.835	50	20	DDGD	
O=C(NNC(=O)c1cccc2nc(O)[nH]c12)c1ccccc1F	816814253	MIWRJKJYYLCGDU-UHFFFAOYSA-N	314.276	1.482	50	20	DDGD	
COc1cc(F)c(F)cc1NC(=O)NNC(=O)c1ccccn1	810271422	TUYXJTLQOWEBFC-UHFFFAOYSA-N	322.271	1.835	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1F)C1(C(=O)NC2CC2)CC1	728715890	IYQDTFNTAGXOKD-UHFFFAOYSA-N	313.279	1.606	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)N[C@H](C)[C@@H](C)OC)cc1	811958516	CQMGCUJGHXPBCN-VXGBXAGGSA-N	323.393	1.382	50	20	DDGD	
COC(OC)C(=O)NNc1ccc(F)cc1Br	821147974	MYZIAXWGASFFIU-UHFFFAOYSA-N	307.119	1.650	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1ccc2c(c1)COC2	729513848	UILLZQWOTGPPED-UHFFFAOYSA-N	311.341	1.590	50	20	DDGD	
CN1CCc2[nH]c3ccc(C(=O)NNC(=O)N(C)C)cc3c2C1	824627189	JGWBCEZWHHHTFW-UHFFFAOYSA-N	315.377	1.072	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)N[C@H]1C=CCC1	821091992	HZLLEAQZIZYYHJ-LBPRGKRZSA-N	319.361	1.513	50	20	DDGD	
CC[C@H](CNS(=O)(=O)CCl)N1CCc2ccccc2C1	829921509	NSVQPEPOXQNQBO-CQSZACIVSA-N	316.854	1.939	50	20	DDGD	
Cc1nn(-c2ccccc2)c(C)c1C(=O)NN(C)[C@@H](C)CO	823983430	SXYWIGLYNDLATO-NSHDSACASA-N	302.378	1.447	50	20	DDGD	
CC(C)(C)OC(=O)NC1CC(=NNC(=O)[C@@H]2CCCCO2)C1	496576939	FTVSIHMMYHTGCY-KFJBMODSSA-N	311.382	1.715	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C)C1CCN(C(=O)OCC)CC1	490907716	ILMOTTVEWVOYTE-SLQMCABGSA-N	323.393	1.804	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H](O)c1ccccc1	826446226	DQKGKGPSNGKOLA-CYBMUJFWSA-N	310.317	1.043	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)CCN(C)C)c1cccs1	726446180	ZEIWVZDRBZOPLC-SECBINFHSA-N	300.453	1.256	50	20	DDGD	
COC(=O)C1(NC(=O)/C(C#N)=C\c2ccc(O)cc2)CCC1	491014684	YIAQXQHWDREBOU-XFXZXTDPSA-N	300.314	1.511	50	20	DDGD	
Cc1cc([C@@H]2CCCN2C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)no1	827272711	BUKJXGREBAZDOX-MDZLAQPJSA-N	322.365	1.286	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)cc1)[C@H](c1ccccc1)N(C)C	585036077	DFUGMEHLIFARGA-KBXCAEBGSA-N	312.222	1.147	50	20	DDGD	
OB(O)c1ccccc1CN[C@H]1CCc2ccc(F)c(F)c21	585046208	SUVFREQIJCVYIO-AWEZNQCLSA-N	303.117	1.422	50	20	DDGD	
CC[C@H](c1ccncc1)N(C)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	827298393	IJOBIVCUOJKMBX-IACUBPJLSA-N	320.393	1.630	50	20	DDGD	
C[C@H]1CC[C@H](CCC(=O)NNc2ccc(-c3nn[nH]n3)cc2)O1	824906209	BAOPHAACCDBLQL-GXFFZTMASA-N	316.365	1.658	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(C)[C@@H]2COC[C@H]2O)cc1	490942251	NNPQTPDYMDFIOX-NWDJSDSRSA-N	316.357	1.210	50	20	DDGD	
CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NNc2ccncn2)C1	496681694	CWKQNMIYCZWVPW-SNVBAGLBSA-N	319.365	1.177	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NOC/C=C/Cl)cc(C#N)n1C	491011489	OZLCYDQYQYZPOR-HEPHUNMXSA-N	304.737	1.912	50	20	DDGD	
CC1=C(C)C(=O)N(CCC(=O)NNc2ccccc2Cl)C1=O	901165347	SETKWPVDBNHOFI-UHFFFAOYSA-N	321.764	1.878	50	20	DDGD	
CC(C)CCO[C@@H](C)c1nc(-c2cccc(B(O)O)c2)no1	585051947	PTYKOYGZMQWFEU-NSHDSACASA-N	304.155	1.540	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C	495991998	NYDQUHASBFHFCU-UHFFFAOYSA-N	317.323	1.103	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccc(C(=O)O)c(F)c1	833095399	NSHNLZOAYSRCAM-UHFFFAOYSA-N	308.187	1.237	50	20	DDGD	
C=CCCOCC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)OC)c1	732651484	MNQXHASURFTXSU-UHFFFAOYSA-N	309.274	1.880	50	20	DDGD	
CC(C)c1ccc(C[C@@H](C)NCc2ccc(B(O)O)o2)cc1	585030578	VFYHONUGYRQJKR-CYBMUJFWSA-N	301.195	1.804	50	20	DDGD	
O=C(Cn1cc(C2CC2)cn1)NNc1ncnc2ccsc12	830426103	LFIIAJGFALUHLX-UHFFFAOYSA-N	314.374	1.909	50	20	DDGD	
COc1ccc(C=NNC(=O)C(C)(C)C)c(OCC(=O)O)c1	734365180	DBEGIYFUQUOAHR-UHFFFAOYSA-N	308.334	1.655	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc(C(F)(F)F)[nH]1	833236632	UCOJUKBTFWFVNM-QMMMGPOBSA-N	305.256	1.364	50	20	DDGD	
Cc1nn(C)c2ncc(/C=C(/C#N)S(=O)(=O)NC3CC3)cc12	588561713	YKURFIPIZBXTEL-XGICHPGQSA-N	317.374	1.223	50	20	DDGD	
CCC[C@@H](C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	736419139	JUVKGBZYKWESGU-SECBINFHSA-N	302.338	1.064	50	20	DDGD	
CSc1ccccc1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	831063078	SZLFLFHIHSVDDZ-VHSXEESVSA-N	309.391	1.986	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)CCN2CCN(C(C)C)CC2)c1	901167758	MJYZIZBXZIBNHF-UHFFFAOYSA-N	322.428	1.993	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNC(=O)Cc1ccccc1F	836605673	YITCMFMLRPOYNM-OLZOCXBDSA-N	307.325	1.042	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNC(=O)c1cccc(Cl)c1	730270515	DDNIXIJPGWSOBC-ZDUSSCGKSA-N	305.765	1.199	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCC(C)CC1)c1ccncn1	834932051	DZXCNBHRAZNYLG-ZDUSSCGKSA-N	303.410	1.685	50	20	DDGD	
O=S(=O)(CCl)NCCOc1ccc(F)c(Cl)c1	831822407	AXLCYYKWSZLEQX-UHFFFAOYSA-N	302.154	1.974	50	20	DDGD	
CC(C)c1nncn1CCNC(=O)[C@]1(C)C[C@H]1Br	906745122	GOBKCMUNPUYDSQ-BXKDBHETSA-N	315.215	1.691	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCCc2ccc(O)cc2)c1	734217433	WZXCTMJXTOZZTG-UHFFFAOYSA-N	324.340	1.451	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCc1cc(C)[nH]n1)c1ccccc1	738483727	ZSSHYIYLTMGBJC-AWEZNQCLSA-N	315.377	1.742	50	20	DDGD	
CO[C@@H]1CCOc2c(NCc3ccccc3B(O)O)cccc21	585039904	ZMTKIKVJMANRMP-MRXNPFEDSA-N	313.162	1.449	50	20	DDGD	
COc1ccccc1N1CCC(=NNC(=O)NCC(=O)O)CC1	833736468	LECIRQBEWPKJQK-UHFFFAOYSA-N	320.349	1.035	50	20	DDGD	
O=C(CCN1C(=O)CCc2ccccc21)NNC(=O)C1CCC1	737849609	ZEQOWXRGAZIHGY-UHFFFAOYSA-N	315.373	1.303	50	20	DDGD	
CNc1nnc(S[C@@H](C)C(=O)NNC(=O)CC(C)C)s1	734980883	CBJPEELDYIFHSO-ZETCQYMHSA-N	317.440	1.254	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCC[C@@H]2CCCN(C)C2)n1	838768156	AXITYLIZIYBMDC-LBPRGKRZSA-N	322.413	1.152	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)Cc2csc(C)n2)cc1	916320342	PWXUPKYZOCPLCT-UHFFFAOYSA-N	317.370	1.931	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc3c(s2)CCC3)c(O)n1	916745669	DLSIXQIRPCDPRL-UHFFFAOYSA-N	317.370	1.721	50	20	DDGD	
NNC(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1	916665649	VEWVBICULGNGDC-XFXZXTDPSA-N	312.358	1.390	50	20	DDGD	
CO[C@H](C1CC1)[C@H](C)NC(=O)NNc1nc2ccccn2n1	838700987	LIFHCPMCQLVGEI-CABZTGNLSA-N	304.354	1.169	50	20	DDGD	
CC[C@H](Nc1ccccc1)C(=O)NNC(=O)Cc1ccncc1	747429693	PZZUFGPVZKJNKL-HNNXBMFYSA-N	312.373	1.662	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1	836191392	DIKXYHRHTUNDHF-LXTVHRRPSA-N	313.357	1.235	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)[C@@H]1Cc2ccccc21	742033043	FBTNDPLKXLEBDU-CQSZACIVSA-N	320.352	1.524	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)Cc1ccccc1OC1CCCC1	910149697	KXFQRPMBWVYTAJ-CYBMUJFWSA-N	306.406	1.894	50	20	DDGD	
CO[C@@]1(C=NNC(=O)c2cn(C)c3ccccc23)CCOC1	841616167	HIQNWYQPCORPJB-MRXNPFEDSA-N	301.346	1.699	50	20	DDGD	
CCOC1CCN(CC(=O)NNC(=O)c2ccc(C)cc2)CC1	918738735	LXUHRXABYGXAJA-UHFFFAOYSA-N	319.405	1.257	50	20	DDGD	
COc1ccccc1-c1nc(C(=O)NNC(=O)N(C)C)cs1	746847845	LINOSLMZOGVHOS-UHFFFAOYSA-N	320.374	1.735	50	20	DDGD	
CCOCC(=O)NN=Cc1cccc(O)c1Br	841623826	RJODVEBEWFBNLC-UHFFFAOYSA-N	301.140	1.641	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1C[C@H](OCC)C12CCCC2	745919131	AJBXUGLTJKPXMM-NEPJUHHUSA-N	313.398	1.091	50	20	DDGD	
CC[C@@H](Nc1ccccc1)C(=O)NNc1ncnc2[nH]cnc12	743468271	AQMHXEKHOYAQQW-LLVKDONJSA-N	311.349	1.687	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cnn1CC(C)C	843980353	UDZJBTJARMHJHE-NEPJUHHUSA-N	308.382	1.034	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCN1CCOCC1)c1ccccc1	917361504	IDOWMXSKYRMFJG-OAHLLOKOSA-N	319.405	1.050	50	20	DDGD	
CC[C@H](O)[C@H](C)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	913824554	UUGGABNXWZQQAN-GWCFXTLKSA-N	324.450	1.477	50	20	DDGD	
Cc1ccc(-n2ncc(C(=O)NNC(=O)NC(C)C)c2C)cc1	745139420	JICMSUBFPJGKNX-UHFFFAOYSA-N	315.377	1.842	50	20	DDGD	
CCC(CC)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	744768998	JWSYGHIHOPAZDN-UHFFFAOYSA-N	306.362	1.735	50	20	DDGD	
CN(C)c1nccc(NNC(=O)COCCc2ccccc2)n1	740102341	IDDLKCALWVRFJZ-UHFFFAOYSA-N	315.377	1.245	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)CC(F)(F)F)CN1CCCCC1	918104531	QWXOJSPHYXVYPA-JTQLQIEISA-N	324.347	1.391	50	20	DDGD	
O=C(NNC(=O)[C@@H](C[C@@H]1CCCO1)C(F)(F)F)NC1CC1	845297299	TYPYMDHVXAOHTM-DTWKUNHWSA-N	309.288	1.227	50	20	DDGD	
CC(=O)Nc1ccc(C)c(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	843653437	CAVIEYAFVGUYDK-GWCFXTLKSA-N	319.361	1.139	50	20	DDGD	
COc1cc(C=NNC(=O)NCC(F)(F)F)cc2c1OCO2	917552945	AFAULPKMZNQLQW-UHFFFAOYSA-N	319.239	1.619	50	20	DDGD	
CC(C)(CCNC(=O)NNc1cccc(F)n1)S(C)(=O)=O	841589161	DZIQONMBNAPUQB-UHFFFAOYSA-N	318.374	1.060	50	20	DDGD	
CCn1ncc(C=NNC(=O)Nc2ccc(N(C)C)cc2)n1	841626196	OQAJFKWHRIJUFS-UHFFFAOYSA-N	301.354	1.520	50	20	DDGD	
CCCNCCNC(=O)NNC(=O)COc1cc(C)cc(C)c1	841961452	OFGFNUNVPHYZNJ-UHFFFAOYSA-N	322.409	1.012	50	20	DDGD	
CNCCNC(=O)NNC(=O)c1c(Cl)cccc1Cl	841935964	JNNUBHLUJBZZNR-UHFFFAOYSA-N	305.165	1.157	50	20	DDGD	
CCc1nc(CN(C)CC(=O)NNC(=O)C(C)(C)C)cs1	744391315	SHDXAWYKCZDGHS-UHFFFAOYSA-N	312.439	1.331	50	20	DDGD	
CNCc1ccccc1NC(=O)NNc1nc(C)cc(C)n1	841308461	RBRFGMRJLKPWHW-UHFFFAOYSA-N	300.366	1.961	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NNC(=O)C2CCCC2)C1	920343206	HLTHPNQIQUJQRF-CYBMUJFWSA-N	323.437	1.609	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)C(C)(C)c1ccccc1)C(=O)O	848584807	AGNHZXXXOYQUOP-SNVBAGLBSA-N	307.350	1.015	50	20	DDGD	
C[C@@H](OCC1CC1)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	920807213	AEWYUWNCLNZSEG-SECBINFHSA-N	307.306	1.171	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC2SCCS2)o1	852665058	FXZKVRGIIGJFLR-UHFFFAOYSA-N	301.393	1.338	50	20	DDGD	
C[C@@]1(CNC(=O)c2cnc3cccnn23)C[C@H]1Br	857733214	HUNRRZNGLAGENP-SKDRFNHKSA-N	309.167	1.633	50	20	DDGD	
O=C(CCCN1C(=O)CCC1=O)NNc1cccnc1Cl	754485119	JGMATROMOQTQDE-UHFFFAOYSA-N	310.741	1.107	50	20	DDGD	
CCCC(=O)N1CCC[C@H]1C(=O)NNc1ccc(C#N)cn1	924819973	HPFJIHGYCBKBJZ-LBPRGKRZSA-N	301.350	1.187	50	20	DDGD	
CSC[C@H](C)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855831091	FSAXYPIOWDPCOJ-JTQLQIEISA-N	317.455	1.075	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](C)CN2CCOCC2)cc1F	853356525	VYQOOXRUCYVUKK-LBPRGKRZSA-N	310.373	1.481	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNc1ccnc(N(C)C)n1	755822522	RDWDNOOYTGZBOS-UHFFFAOYSA-N	318.381	1.341	50	20	DDGD	
C#Cc1ccc(C(=O)NNc2ccc(C(F)(F)F)nn2)cn1	755182215	FJWWBQLUALWOJZ-UHFFFAOYSA-N	307.235	1.629	50	20	DDGD	
COCCCN(CCO)C(=O)NC[C@]1(C)C[C@@H]1Br	856955762	RAYCDDAEGXTBFC-JQWIXIFHSA-N	323.231	1.200	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)Cc1nc(C2CC2)nn1C	855371251	WSGQJIIXLQJVNG-UHFFFAOYSA-N	303.341	1.826	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)CCc1ccc(O)nc1)C1CC1	855097169	KTRYDPCRFRUKDO-VIFPVBQESA-N	308.407	1.014	50	20	DDGD	
CC(CCCO)=NNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C	853373206	PKJYFRCJNBQYQE-CHWSQXEVSA-N	308.382	1.152	50	20	DDGD	
C[C@@H]1CCC[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)[C@@H]1C	853227608	RFWWTVUFVZVJDZ-GMTAPVOTSA-N	308.357	1.989	50	20	DDGD	
CCc1ccc(C(C)=NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1	920384170	JBTCCZQITSNUAQ-AWEZNQCLSA-N	323.418	1.459	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C1(c2cccnc2)CC1	854388616	QTSCSNJVFIKPLG-UHFFFAOYSA-N	321.377	1.050	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@H]1CCc2ccccc2O1	855092405	DLWUDIVVQPFCQU-CQSZACIVSA-N	319.430	1.676	50	20	DDGD	
CCC(O)(CC)C(C)(C)CNC(=O)NNC(=O)C(C)(C)C	852084115	QDFUOXGLKKYTAX-UHFFFAOYSA-N	301.431	1.940	50	20	DDGD	
O=C(NNc1cccnn1)C(F)(F)c1c(F)cccc1F	757894305	IFPMRSHRNHTGFR-UHFFFAOYSA-N	300.215	1.990	50	20	DDGD	
CC(C)n1ncc(C(=O)NNc2cccc([N+](=O)[O-])c2)c1N	758385355	QBQNTDFXYMAKFF-UHFFFAOYSA-N	304.310	1.711	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cc(Br)cnc1F	858121332	CEXHWHHKILRDLQ-UHFFFAOYSA-N	302.103	1.154	50	20	DDGD	
CN(C)C(=O)CCCNC(=O)NC[C@]1(C)C[C@@H]1Br	856827758	VDOSHMUZQBZKCH-CABZTGNLSA-N	320.231	1.328	50	20	DDGD	
CN1CC[C@H](N(C)C(=O)NC[C@@]2(C)C[C@@H]2Br)C1=O	856956735	UGCVATJYHLYJMJ-HOTUBEGUSA-N	318.215	1.032	50	20	DDGD	
O=C1CSC[C@@H](C(=O)NNc2ncc(Cl)cc2Cl)N1	935453145	DIPSVKQTHRPCLQ-ZETCQYMHSA-N	321.189	1.063	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnc(Br)c(C)c1	930731676	JCGHRCAZBCDRTQ-UHFFFAOYSA-N	301.144	1.116	50	20	DDGD	
C[C@@H](c1ccccc1)[C@H](O)CNC(=O)NNC(=O)C1CCCC1	852279631	WRNOKXFWTXFDNJ-SWLSCSKDSA-N	319.405	1.672	50	20	DDGD	
N#CSCCCNC(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12	935843078	JOMRJGOYNRAXQJ-ABAIWWIYSA-N	301.371	1.617	50	20	DDGD	
O=C(NCC(F)(F)F)NN=Cc1ccc(N2CCCC2)nc1	758373608	YWNREFXHLBNTHR-UHFFFAOYSA-N	315.299	1.877	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1cc(C(=O)O)ccc1O	757460737	ZCHJKMHNGCSOEY-UHFFFAOYSA-N	316.317	1.205	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cnn2cccnc12	863091768	QTOUDDSJDOREDZ-UHFFFAOYSA-N	309.198	1.161	50	20	DDGD	
CN(CC(=O)NNc1ncnc2ccsc12)C(=O)C1CC1	766679238	STZYQVWQUXRWNL-UHFFFAOYSA-N	305.363	1.003	50	20	DDGD	
CC(C)[C@H](NC=O)C(=O)NNc1ccc(Br)nc1	863871847	DFAQLQJMPPAZGO-JTQLQIEISA-N	315.171	1.058	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccccc1OC1CCCC1	763440470	GWDYLDPOYQLMCA-UHFFFAOYSA-N	319.361	1.504	50	20	DDGD	
CO[C@](C)(C(=O)NN=c1cc[nH]c(C)c1)c1ccccc1F	862512219	OMSWIOMMKSQJEZ-INIZCTEOSA-N	303.337	1.956	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)C[C@@H]2COC(=O)C2)cc1	764567238	UZSKCPMXRKDNMF-NSHDSACASA-N	322.386	1.188	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCCNc1ncccn1	767329022	VSDIJHJJTMVXNR-VIFPVBQESA-N	315.215	1.814	50	20	DDGD	
CCN(CC)Cc1cc(C(C)=NNC(=O)COC)ccc1O	761818000	PWEAFAGXKNBIBZ-UHFFFAOYSA-N	307.394	1.721	50	20	DDGD	
O=C(NN=Cc1c(F)cccc1N1CCCC1)c1cn[nH]c1	863156360	XTUZCPCOMNLYKS-UHFFFAOYSA-N	301.325	1.913	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)C2CCS(=O)(=O)CC2)c1	760141269	PUICFDDDHBYXGF-UHFFFAOYSA-N	300.355	1.402	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2ccc(C)c([N+](=O)[O-])c2)n[nH]1	767406985	DOMUNULLALTKMM-UHFFFAOYSA-N	301.306	1.628	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CCOC[C@H]2CCCO2)c1	862477418	JHDJJQIKNZSZHW-LLVKDONJSA-N	312.391	1.403	50	20	DDGD	
COc1ccc(C2(C(=O)NNC(=O)C(C)(C)O)CCC2)cc1	768243253	CFKUQVUUPAHJDA-UHFFFAOYSA-N	306.362	1.035	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CCn2cccc2)n1	762898617	KPWULPXPGSAXMX-UHFFFAOYSA-N	302.382	1.658	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)c2cnn(C)c2)[C@@H](C)C1	761266369	FUNXHYANQYEXEH-QWRGUYRKSA-N	306.366	1.505	50	20	DDGD	
Cc1nc2ccc(NC(=O)C(=O)NNC(=O)C3CCC3)cc2o1	764336128	ZENPBIIFVRBQCO-UHFFFAOYSA-N	316.317	1.022	50	20	DDGD	
COc1cc(C(=O)NNc2ncc(F)cn2)cc2c1O[C@@H](C)C2	760919936	AUAXVSANMYDRJF-QMMMGPOBSA-N	318.308	1.705	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)C1CC(F)(F)C1	764045042	ABMKURULFWDRLX-UHFFFAOYSA-N	316.329	1.677	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNc1ccccc1OC(F)(F)F	867536795	ZGJZTZPWRMLRGA-VIFPVBQESA-N	319.283	1.943	50	20	DDGD	
COc1cccc(NNC(=O)[C@]2(C3CCCC3)CCNC2=O)n1	860676693	CCYVNHXHIIZSLQ-INIZCTEOSA-N	318.377	1.230	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1	862123713	UYJBQBUBKOTGGU-YMEQNVIZSA-N	320.389	1.905	50	20	DDGD	
O=C(CCCC[C@H]1CCSS1)NNC(=O)c1cn[nH]c1	862473495	SMDORFDFLQWCGV-JTQLQIEISA-N	314.436	1.885	50	20	DDGD	
CCC[C@H](C(=O)NNc1ccc(F)c(Cl)c1)S(N)(=O)=O	863082250	HIEUMCKEBVAUGA-SNVBAGLBSA-N	323.777	1.379	50	20	DDGD	
COc1ccc2c(c1)OC[C@H]2CC(=O)NNC(=O)NC1CC1	760382749	RUBRXIGJQWSBQK-SECBINFHSA-N	305.334	1.054	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cn(C)nc1-c1cccs1	769570675	UPASCONSLPDEQW-UHFFFAOYSA-N	319.390	1.123	50	20	DDGD	
O=C(NCCC1(O)CCC1)NNC(=O)c1ccccc1Cl	1117452408	FYNPEDFGPNMBIX-UHFFFAOYSA-N	311.769	1.589	50	20	DDGD	
O=C1Nc2ccc(Cl)cc2C1=NNC(=O)C1CCOCC1	1119305052	ZYGHVGGTXSVWIK-UHFFFAOYSA-N	307.737	1.539	50	20	DDGD	
C[C@@H]1Cc2ccccc2C1=NNC(=O)CNC(=O)c1cccnc1	763195410	OLQFXEAUGBDCNF-GFCCVEGCSA-N	322.368	1.524	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)c2c[nH]c3ccccc23)CCC1=O	763272909	USXVBWFQVUVIBE-QWRGUYRKSA-N	313.357	1.934	50	20	DDGD	
CCN(CC1CC1)C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1118821089	YQYDOJJZZWAGFE-GXFFZTMASA-N	317.227	1.535	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@H]1C=NNC(=O)c1ccnnc1	872382279	NGHKGQUYJPSMGJ-WCQYABFASA-N	314.349	1.186	50	20	DDGD	
COC1(C(=O)NC[C@]2(C)C[C@@H]2Br)CCNCC1	1118755375	YHIVMFYHKCRQIQ-ONGXEEELSA-N	305.216	1.045	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC(C)(C)c1ccc(C)cn1	875816242	POUCTYOBVNBHHJ-UHFFFAOYSA-N	308.382	1.035	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2ccc(C#N)cc2F)ccn1	772840944	BQDWKCBQDICEEQ-UHFFFAOYSA-N	311.320	1.922	50	20	DDGD	
CSC1(CNC(=O)NNc2nncc(N)c2Cl)CC1	1116857407	OSUDMMRAEHQQNL-UHFFFAOYSA-N	302.791	1.234	50	20	DDGD	
CCOC(=O)C1(C)CC(=NNC(=O)Cc2csc(C)n2)C1	872332153	HCQNGVMESVQOAV-UHFFFAOYSA-N	309.391	1.829	50	20	DDGD	
Nc1c(C(=O)NNC(=O)C2CCCC2)sc2ncccc12	873991983	VLUJIIDCRRPRHF-UHFFFAOYSA-N	304.375	1.830	50	20	DDGD	
O=C(CN1CCCC1)NNc1nc(-c2ccc(Cl)cc2)no1	874465856	VHEDHLHNRCACJF-UHFFFAOYSA-N	321.768	1.929	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cc(OCC(F)F)ccn1	778401741	HWHSVUXMWIMOEN-UHFFFAOYSA-N	313.239	1.412	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc2nc(C(F)(F)F)cn2c1	770207985	IVJJWNZFTYNLPY-UHFFFAOYSA-N	314.267	1.770	50	20	DDGD	
CS[C@H](C)CCC(=O)NNC(=O)c1ccc2c(c1)OCCO2	773211762	VUTHTEDEHQMSPC-SNVBAGLBSA-N	324.402	1.751	50	20	DDGD	
C[C@H]1COCC1=NNC(=O)C(=O)NCc1ccc(Cl)cc1	884444679	RRUPGQYKRRIGCV-VIFPVBQESA-N	309.753	1.095	50	20	DDGD	
O=C(CO)NN=Cc1cn(-c2cccc(Cl)c2Cl)nn1	776780058	CGTPEMGQOPHBOO-UHFFFAOYSA-N	314.132	1.017	50	20	DDGD	
CCc1cnccc1CNC(=O)NNc1nc(C)cc(C)n1	779410080	QUVQDTXVCHRKIA-UHFFFAOYSA-N	300.366	1.877	50	20	DDGD	
CCCCc1ccc(CC(=O)NNC(=O)c2cccnn2)cc1	882061337	DLQAQEHJKHICNU-UHFFFAOYSA-N	312.373	1.823	50	20	DDGD	
C[C@H](NC(=O)c1ccoc1)C(=O)OC[C@@H](C)CBr	770349899	IIRVFBLVDAIGKA-IUCAKERBSA-N	318.167	1.972	50	20	DDGD	
CN(C)c1ccc(CNS(=O)(=O)CCCCl)cc1F	881841881	LXIFQXVHHFKIRK-UHFFFAOYSA-N	308.806	1.940	50	20	DDGD	
CC(C)(C)OC(=O)NN=C1C(=O)Nc2c(F)cc([N+](=O)[O-])cc21	774308310	DHCWULKQAKSKQZ-UHFFFAOYSA-N	324.268	1.915	50	20	DDGD	
Cc1ccc2c(c1)CC[C@H]2NC(=O)NNC(=O)c1cccnn1	883191568	DJANCBKKKZGEAV-CYBMUJFWSA-N	311.345	1.417	50	20	DDGD	
CC(C)O[C@H](C(=O)NNC(=O)C1CCOCC1)c1ccccc1	883070183	IKRGKDMQPJODJT-HNNXBMFYSA-N	320.389	1.727	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)C1CCOCC1)CC(F)(F)F	883691656	METLGDPUPYSPMQ-MRVPVSSYSA-N	311.304	1.332	50	20	DDGD	
CCOC(=O)C1(CC(=O)NNC(=O)c2ccccc2F)CCC1	788672066	SBHRTUZNTDPHCU-UHFFFAOYSA-N	322.336	1.710	50	20	DDGD	
CCO[C@@H]1C[C@@H](NS(=O)(=O)CCCCl)[C@]12CCCO2	882066079	AONBWUKUYLTBHC-IJLUTSLNSA-N	311.831	1.261	50	20	DDGD	
FC(F)(F)CNCCc1cn(/C=C\CBr)nn1	881294936	HBVQQPIQUTVHGP-KTAJNNJTSA-N	313.121	1.838	50	20	DDGD	
COc1ccc(NNC(=O)Nc2cc(C)cnc2OC)nc1	782048006	FXWWVUUKUUQIGF-UHFFFAOYSA-N	303.322	1.951	50	20	DDGD	
Cc1ccc(C(=O)NNc2nccn(C)c2=O)c(Cl)c1C	783655448	GHWVHGPTIIYPAU-UHFFFAOYSA-N	306.753	1.807	50	20	DDGD	
COC1CCC(C(=O)NNC(=S)NCCSC)CC1	780986913	HFKAPHRZERYQRB-UHFFFAOYSA-N	305.469	1.050	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cccc3cccnc23)ncn1	783948655	PVKOSBHCBXZLSG-UHFFFAOYSA-N	322.328	1.415	50	20	DDGD	
CCCCCCN(C)CC(=O)NNC(=S)NC(C)(C)C	899994815	ARUMKXAJYQJDMB-UHFFFAOYSA-N	302.488	1.792	50	20	DDGD	
C=C[C@@H](NNC(=O)c1cccc(Br)c1)C(=O)OC	799978939	UALLUVSCEOGJDE-SNVBAGLBSA-N	313.151	1.411	50	20	DDGD	
CO[C@@H](C(=O)NNc1cccc(F)c1[N+](=O)[O-])c1cnn(C)c1	799005820	SHXZVXJNJHPTHM-GFCCVEGCSA-N	323.284	1.298	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc2nc(C)ccc2c1	798305879	KECPJKQYUKJEGR-UHFFFAOYSA-N	300.387	1.838	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](c1cccnc1)C(C)C	797903778	AYJMIYAFRMUQCY-FZMZJTMJSA-N	321.377	1.310	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)Cc2ccccc2F)on1	793000511	VPLSBRVMEZQBJF-UHFFFAOYSA-N	319.292	1.683	50	20	DDGD	
COC(=O)C[C@H]1CCC(=NNC(=O)c2sc(N)nc2C)[C@@H]1C	794489691	ZUICOEWNFIBEQF-VXNVDRBHSA-N	324.406	1.729	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CSc2ccccc2)n1	794083427	INDIHOQRYOHIJY-UHFFFAOYSA-N	301.371	1.943	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Nc2cccnc2OC)cc1	1317922090	CMXBZOHMAUNUCB-UHFFFAOYSA-N	316.317	1.565	50	20	DDGD	
O=S(=O)(CCl)N1CCC(O)(Cc2ccccc2F)CC1	1324502853	NROAPNCJMVYQRL-UHFFFAOYSA-N	321.801	1.721	50	20	DDGD	
CC(=NNC(=O)Cn1c(C)nc2ccccc21)c1ccnc(C)n1	1320738258	PJWGAPNDIGHUOY-UHFFFAOYSA-N	322.372	1.984	50	20	DDGD	
Cc1csc(CCCNC(=O)/C(C#N)=C\c2cnn(C)c2)n1	1327933204	SZRBFZFCDHOSBU-MLPAPPSSSA-N	315.402	1.841	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc(C)n(C(C)C)n2)cc1	1324363709	DGTUNNBTZMBXLG-UHFFFAOYSA-N	316.361	1.856	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C1CCNCC1)c1ccc(Cl)cc1	1326132319	IJQAJYCZADTFIH-JTQLQIEISA-N	324.812	1.731	50	20	DDGD	
COCCCC(=O)NNC(=O)c1cncn1-c1ccccc1	1337475911	LLMYUVCMVLQPMI-UHFFFAOYSA-N	302.334	1.060	50	20	DDGD	
CCCCN(C)C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1331099529	OIWRUWQYVQJQGA-BXKDBHETSA-N	305.216	1.535	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ncc(Cl)cc1Cl	1337239369	HEDCBUKDIBZTMN-SECBINFHSA-N	318.160	1.719	50	20	DDGD	
CC[C@@H](C)n1nccc1C(=O)NNC(=S)N[C@H](C)C1CC1	1347808009	DFCRDLDFUCSVIC-NXEZZACHSA-N	309.439	1.762	50	20	DDGD	
CC(C)[C@H](CNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)ON	1263131019	KKGZWPRXFCLMEX-MEWQQHAOSA-N	319.243	1.971	50	20	DDGD	
C[C@@H](CN1CCN(C)CC1)NC(=O)C1CCC(Cl)CC1	1263727935	CERCYJXFGGCJTA-HSBZDZAISA-N	301.862	1.536	50	20	DDGD	
COc1ccc(NNC(=O)C2CCC(NC(C)=O)CC2)nc1	1349493634	NBSPPFKYKJMRGE-UHFFFAOYSA-N	306.366	1.228	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H]2C[C@@H](C(=O)OC)C2)cc1	1356610011	XDWZANYXCMREMD-BETUJISGSA-N	304.346	1.209	50	20	DDGD	
CS(=O)(=O)c1ccc(CCC(=O)N2CC=C(C#N)CC2)cc1	1433882857	SRSYFVQQOUMYHQ-UHFFFAOYSA-N	318.398	1.705	50	20	DDGD	
COCn1ccc(C(=O)NNc2ccc(C(=O)O)c(F)c2)n1	1606984959	OXHCYRXLKCYIMQ-UHFFFAOYSA-N	308.269	1.081	50	20	DDGD	
Cn1cc(C(=O)O)c(NC(=O)NNc2cc(F)ccc2F)n1	1600936482	RVFBWAYQPXHDSR-UHFFFAOYSA-N	311.248	1.545	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNc2ccc(C(=O)O)cc2OC)O1	1609945922	GPVMYRXDIXECFR-CMPLNLGQSA-N	308.334	1.794	50	20	DDGD	
Cc1cc(Br)cnc1NNC(=O)CCC(=O)O	1605101868	HVLLTRRSWILEPU-UHFFFAOYSA-N	302.128	1.460	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1ncoc1[C@H]1CCCO1	1606529154	ZWUGUIZPPLCSHA-SECBINFHSA-N	318.289	1.376	50	20	DDGD	
CNc1nc(C(=O)NNc2cccc(F)c2C(=O)O)cs1	1606313738	XTDFRTCWZCYXPS-UHFFFAOYSA-N	310.310	1.779	50	20	DDGD	
O=C(C[C@H]1CCCC[C@@H]1O)NNc1cccc(C(=O)O)c1F	1601352670	LBCBNRPLIGDWGA-SKDRFNHKSA-N	310.325	1.908	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NN[C@@H](CC)C(=O)O)cc1	1605697737	MWVZHLHZHKWULG-MFKMUULPSA-N	310.350	1.337	50	20	DDGD	
Cc1cc(NNC(=O)Nc2cc(C(=O)O)ccc2F)nc(N)n1	1607696041	WDFNQGFVDMJGMA-UHFFFAOYSA-N	320.284	1.353	50	20	DDGD	
CCOCc1nc(C)cc(NNC(=O)C23CC(C(=O)O)(C2)C3)n1	1605645976	SQSYHZIQXUSNEX-UHFFFAOYSA-N	320.349	1.020	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNC(=O)c2cccc(Cl)n2)cc1	1602323646	PNHHBSWGGOVTKO-UHFFFAOYSA-N	319.704	1.508	50	20	DDGD	
CCC(CC)(C(=O)O)C(=O)NNc1cccc(C(=O)OC)c1	1603525838	CIWBSMIHVSFZIP-UHFFFAOYSA-N	308.334	1.807	50	20	DDGD	
CCC[C@@H]1C[C@H]1C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1609217247	KSYGCIUHOWRWGY-RKDXNWHRSA-N	319.369	1.857	50	20	DDGD	
Cc1ccoc1C=NNC(=O)[C@@H]1CCCO[C@@H]1c1nccn1C	1549309661	JDFXMHFFHBHOJJ-OCCSQVGLSA-N	316.361	1.940	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)OCC(F)(F)F)[C@H]1CCCNC1	1575924967	BTDSIVXSARXYFB-IUCAKERBSA-N	311.304	1.332	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2coc([C@@H]3CCCN3)n2)n1	1579590563	NRIBQWGIQYWVJV-JTQLQIEISA-N	302.338	1.263	50	20	DDGD	
Cc1cc(F)c2c(c1)N[C@H](C(=O)NNc1cc(C)nc(N)n1)C2	1579611854	WSNIGUXIKWVSOD-LBPRGKRZSA-N	316.340	1.295	50	20	DDGD	
CCCNNC(=O)[C@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1	1577574741	QFIGFJWNPQNVMZ-AWEZNQCLSA-N	303.406	1.996	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc(-c3cnn[nH]3)cc2)n1	1577318407	FKKVYZPWLSTZRN-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
Nc1ccc(CC(=O)NNc2nc3cccnc3s2)nc1	1580443087	POBVQPHBEFNBMF-UHFFFAOYSA-N	300.347	1.354	50	20	DDGD	
CC[C@H](Br)C(=O)N1CCCC12CN(C(C)=O)C2	1846069554	ITEFEAWVLFPZAW-JTQLQIEISA-N	303.200	1.383	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)N[C@@H]1CCCC12CCCCC2	1580735647	AQWSHYHAEWENNQ-CQSZACIVSA-N	322.453	1.819	50	20	DDGD	
CC(CC(F)(F)F)=NNC(=O)c1cccc(-c2nn[nH]n2)c1	1589799025	PQPDCKRHMCTQGJ-UHFFFAOYSA-N	312.255	1.925	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cnccn1)C2	1845163682	LYULNXOBZCYYLF-LLVKDONJSA-N	322.796	1.311	50	20	DDGD	
O=C(NC[C@H]1CCCCCN1)NN=c1cc[nH]c2cccnc12	1580648941	RBIVNEGFHRUVKA-GFCCVEGCSA-N	314.393	1.210	50	20	DDGD	
COc1ccc([C@H](C)C(C)=NNC(=O)NCC(=O)O)cc1OC	1599506645	KCSNDKUYAKUGNE-SECBINFHSA-N	323.349	1.567	50	20	DDGD	
C[C@H](CBr)CN1CC[C@@H](n2cc(C(=O)O)nn2)C1	1592210478	CZBLSVFMKHHNFC-RKDXNWHRSA-N	317.187	1.254	50	20	DDGD	
Cc1cc(=NNC(=O)NCc2cccc(C(=O)O)c2)cc[nH]1	1594325304	OONCHYGONNPWLY-UHFFFAOYSA-N	300.318	1.336	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@@](CC)(C(=O)O)c1ccccc1	1596864502	SYYMAZNCPJSDLH-QAAVPBIRSA-N	316.357	1.979	50	20	DDGD	
O=C(NCc1ccncc1)NNc1cccc(-c2nn[nH]n2)c1	1593147958	NFUADWXJLWHTJF-UHFFFAOYSA-N	310.321	1.088	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ncc(Cl)s1	1593165498	NAFHCIKNSCFRBR-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
COCCN(CC(C)C)NC(=O)Nc1ccnc(C(=O)O)c1	1594000226	IQJXWXXLDRWZCA-UHFFFAOYSA-N	310.354	1.421	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1ccc(OC(F)F)cn1	1594781618	QVBOKRNYLHVIKF-UHFFFAOYSA-N	324.243	1.533	50	20	DDGD	
O=C(NN=C[C@@H]1C[C@]12CCOC2)Nc1ccc(C(=O)O)cc1	1776046991	QUEOOBNAAJUAFJ-NHYWBVRUSA-N	303.318	1.919	50	20	DDGD	
Cc1nnc(NNC(=O)c2ccc(-n3cccc3)cc2)[nH]c1=O	11274238	SNPODYNYCCWHCR-UHFFFAOYSA-N	310.317	1.021	50	20	DDGD	
CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@](C)(Cl)CCl)C2	1795761853	STHOFFJGTYZMDS-NOHGZBONSA-N	307.221	1.881	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)Cn2c(C)cc(O)cc2=O)c1	150791774	KSXXWZGBXRWMNT-UHFFFAOYSA-N	305.309	1.453	50	20	DDGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1n[nH]cc1[N+](=O)[O-]	163097841	MVPROHJQGBODTM-UHFFFAOYSA-N	316.199	1.489	50	20	DDGD	
CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)CCCCCl	163402992	JQALKCJRNWECIU-NSHDSACASA-N	311.831	1.753	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCc2nc(C)c(C)s2)o1	151100185	HJJLKSSKXTTXOU-UHFFFAOYSA-N	322.390	1.848	50	20	DDGD	
COCCCC(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	152320493	IVHKQSQRJCSUJQ-UHFFFAOYSA-N	308.363	1.326	50	20	DDGD	
C[C@@H](O)C[C@H](CNC(=O)NNC(=O)C(C)(C)C)c1ccccc1	155597288	GSNKSVGKNFSABW-TZMCWYRMSA-N	321.421	1.918	50	20	DDGD	
Cc1[nH]c2ccccc2c1CC(=O)NNc1ccc(C(N)=O)nn1	154345662	NSBQCRNJGCPBDO-UHFFFAOYSA-N	324.344	1.051	50	20	DDGD	
CC(C)CN1CC[C@H](CNC(=O)NNC(=O)c2ccccc2)C1	156706104	YITBJOJMOBKNAJ-CQSZACIVSA-N	318.421	1.609	50	20	DDGD	
CC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(CCl)cc2)C1	380065985	GTFKXOAKANHPRM-GFCCVEGCSA-N	316.810	1.325	50	20	DDGD	
COc1cccc(NC(=S)NNC(=O)c2cnccn2)c1	21367816	DUDQRGRARVDLEK-UHFFFAOYSA-N	303.347	1.117	50	20	DDGD	
CCCCCOCC(=O)NNC(=O)Cc1cn2ccccc2n1	173879378	PGQJQEVKCKKLAE-UHFFFAOYSA-N	318.377	1.231	50	20	DDGD	
Cc1nccc(CNC(=O)NNC(=O)Nc2ccccc2C)n1	57075349	LVGUAZGBGQFEPB-UHFFFAOYSA-N	314.349	1.629	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)CCCc1ccccc1)N(C)C	106916847	JDDPNBFHSVENMK-INIZCTEOSA-N	305.422	1.743	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2ccoc2C)cn1	170699038	AWWLNGLOIBWUIF-UHFFFAOYSA-N	306.347	1.623	50	20	DDGD	
O=C(CCCOCCc1ccccc1)NNC(=O)[C@@H]1CCCO1	58248760	FYFOGPDJLPSGHK-HNNXBMFYSA-N	320.389	1.352	50	20	DDGD	
O=C(CCSc1ccccc1)NNC(=O)Cc1cc[nH]n1	106417132	ASSYNFYTVAKAQU-UHFFFAOYSA-N	304.375	1.282	50	20	DDGD	
CCCN(Cc1ccccc1O)[C@@H](C)C(=O)NNC(=O)CC	109836043	JUVRXJGRNYWSGS-LBPRGKRZSA-N	307.394	1.550	50	20	DDGD	
COc1ncccc1C(=O)NNC(=O)NCCc1cccs1	65200273	DXCMRGFMUVRYSQ-UHFFFAOYSA-N	320.374	1.338	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCCOc1cccc(F)c1	119923076	YBSSYYGVUWZOIY-UHFFFAOYSA-N	311.382	1.666	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1cc[nH]c(=O)c1	119112132	MHKLHRYXDYIPPN-UHFFFAOYSA-N	321.720	1.112	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)[C@@H]3CCOC3)cc2C1	66897727	KVHGZVJHMAWLGJ-VHSXEESVSA-N	308.403	1.670	50	20	DDGD	
Cc1ncsc1C(=O)NNc1nc2ccccc2c(=O)n1C	113186528	NCJLWEZVJYEIOW-UHFFFAOYSA-N	315.358	1.455	50	20	DDGD	
COc1ccc2c(ccn2CC(=O)NNC(=O)NCC2CC2)c1	68455301	XTVNUYIMXRBSOR-UHFFFAOYSA-N	316.361	1.390	50	20	DDGD	
NC(=O)[C@@H]1CC(C(=O)NNc2ccccc2)=NN1c1ccccc1	111552188	WDIGYVRQDUCFOI-HNNXBMFYSA-N	323.356	1.250	50	20	DDGD	
CN1CCOc2ccc(NC(=O)NNC(=O)C(C)(C)C)cc21	179889457	OPRKEKWCDUEQOG-UHFFFAOYSA-N	306.366	1.714	50	20	DDGD	
Cc1cncc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)c1	173070317	LEUJATFXMKSTAP-NSHDSACASA-N	317.320	1.758	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1[N+](=O)[O-]	174017123	OLZRXKPXTWPRTE-UHFFFAOYSA-N	302.290	1.560	50	20	DDGD	
O=C(CC1CCCC1)NCC(=O)NNC(=O)c1ccccc1	129435576	XTAIOCXQSKEMRN-UHFFFAOYSA-N	303.362	1.144	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cnc(Cc2ccccc2)s1	129837551	DIJAWLFIZJOOKR-UHFFFAOYSA-N	304.375	1.650	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CC[C@H]2CCCO2)c(C)c1	76950229	PSVMSXHOWBZEBP-CQSZACIVSA-N	319.405	1.822	50	20	DDGD	
O=C(CCN1C(=O)c2ccccc2C1=O)NNc1ccncc1	180482698	HRIPJKWEDWQQSG-UHFFFAOYSA-N	310.313	1.211	50	20	DDGD	
CN(NC(=O)CN(Cc1ccccc1)c1ccccc1)C(N)=O	182642611	RYZIZMBGDSATRA-UHFFFAOYSA-N	312.373	1.735	50	20	DDGD	
O=C(COc1cccc([N+](=O)[O-])c1)NNC(=O)c1ccccc1	78898110	CSTFVYDAFKIFOV-UHFFFAOYSA-N	315.285	1.435	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cnn(C(C)C)c2)nc1	188668033	AIFCYMKDNQNTOC-UHFFFAOYSA-N	303.322	1.403	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H](COC)C2CC2)cc1	126566078	PMAXBDBVNASNRI-AWEZNQCLSA-N	305.378	1.618	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C2CCCCC2)nc1C	182726609	NISFGQJNGJQBFW-UHFFFAOYSA-N	306.366	1.985	50	20	DDGD	
CNC(=O)COC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	33525648	CGNYLILNRJFOSN-CHHVJCJISA-N	317.389	1.957	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccccc2F)o1	129671150	VRWINXOJMYKBHX-UHFFFAOYSA-N	305.265	1.127	50	20	DDGD	
CSCC[C@H](NC(N)=O)C(=O)NNc1cc(C)ccc1C	127616829	YHHJJGKMVDZQCE-NSHDSACASA-N	310.423	1.537	50	20	DDGD	
COc1cccc(NNC(=O)NCCN(C)C2CCCC2)n1	181210926	RYUTWJYSBZDTGX-UHFFFAOYSA-N	307.398	1.591	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)C[C@@H]2CCCCO2)c1	181158625	WWJRREUXPKZLJC-LBPRGKRZSA-N	312.391	1.492	50	20	DDGD	
CC[C@@H]1C[C@H](C(=O)NNC(=O)c2ccc(C)cc2O)CCO1	183580607	GTMSZYNJQLFKJQ-VXGBXAGGSA-N	306.362	1.667	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H](C)n1cccn1	44668928	YJLJCSIGQZVKBZ-MNOVXSKESA-N	320.324	1.198	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)c2ccc3ccccc3n2)cn1	47816458	NGOQFRZIPVPHCN-UHFFFAOYSA-N	320.352	1.942	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)N[C@@H](C)C2CC2)ccc1[N+](=O)[O-]	83678512	KYPZVCJHGCSFON-VIFPVBQESA-N	322.390	1.811	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)Cc2ccc(F)cc2)c1C1CC1	139542295	ISLVEHSFHJTYLE-UHFFFAOYSA-N	316.336	1.440	50	20	DDGD	
Cn1ccc(CC(=O)NNc2ncc(Cl)cc2Cl)n1	132878113	OGXMIRIBTUZZIS-UHFFFAOYSA-N	300.149	1.808	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)c1)C(=O)c1ccccc1	194013220	ISFDELJVGZQCBT-UHFFFAOYSA-N	302.717	1.984	50	20	DDGD	
C[C@H]1C[C@@H](C)C[C@H](NC(=O)NNC(=O)Cc2cccnc2)C1	247002179	SMDMAUJQKCKEQV-IMRBUKKESA-N	304.394	1.779	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21	247310437	VJCZGFKWYQJMRG-MGPQQGTHSA-N	301.390	1.949	50	20	DDGD	
O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1O)NC1CCCC1	266496788	CVZDQDXKELAFLZ-UHFFFAOYSA-N	308.294	1.187	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@@H]1CCCN1C1CCCC1	269717612	SJVPPXBARPUVAK-HNNXBMFYSA-N	316.405	1.179	50	20	DDGD	
COc1ccc(OC)c(CNC(=O)NNC(=O)CC(C)(C)C)c1	264003021	BHNAHWSLNKUMKB-UHFFFAOYSA-N	323.393	1.970	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NOCCC(F)(F)F)c1	275342301	HYACSHDMYIAJAD-UHFFFAOYSA-N	321.255	1.983	50	20	DDGD	
CS[C@@H](C)CNC(=O)NNc1cccc(S(C)(=O)=O)c1	271898682	ITXZNSKMOSKGMP-VIFPVBQESA-N	317.436	1.468	50	20	DDGD	
CC1=C(C(=O)NNc2nc(-c3cccnc3)no2)CCCO1	270099541	ZBAMNOUSQLYRFW-UHFFFAOYSA-N	301.306	1.659	50	20	DDGD	
COc1ccc2c(c1)[C@@H](NC(=O)NNC(=O)C(C)(C)C)CCO2	274307577	FDJLFKMXVIIBNG-LBPRGKRZSA-N	321.377	1.895	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCS1)[C@@H]1COc2ccccc2O1	272797390	BRLSIZLHYTXPEQ-STQMWFEESA-N	322.386	1.260	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)CNc1ccccc1OC	274273836	XKQPUUYNUUWJLJ-UHFFFAOYSA-N	323.393	1.317	50	20	DDGD	
CCOC1CC(CCNC(=O)NNC(=O)c2ccccc2F)C1	276817746	CZFXYGANAWGNLF-UHFFFAOYSA-N	323.368	1.975	50	20	DDGD	
C=C[C@@](C)(CC)C(=O)NNC(=O)Cn1cnc2ccccc21	276188985	UCSWYMSRHBVTIK-INIZCTEOSA-N	300.362	1.786	50	20	DDGD	
COC(=O)NNC(=O)CCCC(=O)Nc1ccccc1C#N	274176148	CBRQCVBCNDFZIT-UHFFFAOYSA-N	304.306	1.054	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)[C@H]1CC12CCOCC2	374034027	RIURUTCLUMWEKD-CYBMUJFWSA-N	318.373	1.289	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)Nc1ccc(Cl)c(F)c1	274043169	FUXLIRXXTXUQBK-UHFFFAOYSA-N	313.716	1.365	50	20	DDGD	
CN1CC[C@@H]2CCN(C(=O)/C(C#N)=C\c3ccc(O)cc3)[C@H]2C1	280279528	PFZVNYLWULTJOF-ZPGCQJFOSA-N	311.385	1.852	50	20	DDGD	
CSSCCNC(=O)NNC(=O)Cc1ccccc1F	284157554	JODHNIVFGFTXRG-UHFFFAOYSA-N	317.411	1.710	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cnc(C)nc2C2CC2)n1	282157568	IFEJOXGKOLAZBS-UHFFFAOYSA-N	311.345	1.441	50	20	DDGD	
COCCOc1cncc(C(=O)NNc2cccc(OC)n2)c1	283869708	WFOXBSRDEGYXHI-UHFFFAOYSA-N	318.333	1.267	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NNC(=O)c1ccccc1C	281175639	BIXGESAMFSMEJO-ZFWWWQNUSA-N	317.389	1.920	50	20	DDGD	
Cc1cnc(COCC(=O)NNc2nccnc2C(C)C)o1	803225981	HDMDOFARSYLQEL-UHFFFAOYSA-N	305.338	1.556	50	20	DDGD	
CSSCCNC(=O)NC1CCN(CCN(C)C)CC1	806370934	CGBUFDXGNNSTIX-UHFFFAOYSA-N	320.528	1.323	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1c(C)nn(-c2ccccn2)c1C	802711026	LLHHNNLLZLXHTF-UHFFFAOYSA-N	323.360	1.680	50	20	DDGD	
N#CSCCCNC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1	808025873	QJPSXRCHJGMWTL-NSHDSACASA-N	321.377	1.899	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)COCc1ccccn1	805181946	RQPLNUHKMISKHO-UHFFFAOYSA-N	315.329	1.068	50	20	DDGD	
CC[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CCCCO1	295287169	DCZPCOIQUWJSPW-OCCSQVGLSA-N	324.352	1.700	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@@H](C)CN1CCCC1	298941459	JRFSXHQPKJRXRJ-CYBMUJFWSA-N	318.421	1.671	50	20	DDGD	
Cc1nn(CCC(=O)NNc2cccc(F)n2)c(C)c1[N+](=O)[O-]	804770417	ZYKFRXDGECNHMJ-UHFFFAOYSA-N	322.300	1.476	50	20	DDGD	
CC(C)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCCO2)cc1	293414419	PHHVBNMJHDWBHM-ZDUSSCGKSA-N	319.361	1.075	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Cc1ccc(C)c(C)c1	807371756	STQBMJAUZPVQFM-UHFFFAOYSA-N	322.405	1.783	50	20	DDGD	
Cn1cc(C(=O)NNc2cccc(F)n2)c(-c2ccncc2)n1	804767272	FXMZJMUGXIMECU-UHFFFAOYSA-N	312.308	1.773	50	20	DDGD	
CCc1c(C(=O)NNC(=O)NCCCOC)oc2ccccc12	294723472	MSNYYNSMVGXUIC-UHFFFAOYSA-N	319.361	1.976	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H]2COc3ccccc3C2)n1	298327669	YMOPUTAGEFCYNA-NSHDSACASA-N	300.318	1.180	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2ccc(C#N)cc2)n(C)c1C	800811311	PHNCLYNRBWAOND-UHFFFAOYSA-N	324.340	1.756	50	20	DDGD	
CN(NC(=O)c1ccnn1CC(F)F)C(=O)OC(C)(C)C	297235896	MQQXQNAPKRLFFB-UHFFFAOYSA-N	304.297	1.660	50	20	DDGD	
O=C(CCCc1nc(C2CC2)no1)NNc1ncccc1F	804212749	ALUFEIXTZHSHAE-UHFFFAOYSA-N	305.313	1.947	50	20	DDGD	
C=C[C@@H](O)C(=O)NNC(=O)c1ccc(COc2ccccc2)o1	816829673	ZZUHRIZWFGDCKN-CYBMUJFWSA-N	316.313	1.167	50	20	DDGD	
COCCOc1cccc(C=NNC(=O)Cc2cc[nH]n2)c1	814957705	SVEUZSBDZCWXSJ-UHFFFAOYSA-N	302.334	1.128	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NN=Cc1cc(CO)ccc1O	814839544	UHNYSHINRICDCI-UHFFFAOYSA-N	323.352	1.990	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCOC1)c1nc2ccccc2s1	818550876	PRQISBNOILXXDY-SECBINFHSA-N	305.359	1.484	50	20	DDGD	
Cn1c(NNC(=O)CCOC2CCOCC2)nc2ccccc21	816580062	QHUOYMWIBZLGSA-UHFFFAOYSA-N	318.377	1.602	50	20	DDGD	
O=C(NCc1ccc(C(=O)O)cc1)NNC(=O)c1ccccc1	819195010	SKLKPCMONRHLEO-UHFFFAOYSA-N	313.313	1.529	50	20	DDGD	
CO[C@@H]1CCC[C@H](C(=O)NNC(=O)COc2ccccc2O)C1	815509329	CYAXBOITBUBULQ-NWDGAFQWSA-N	322.361	1.124	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1(F)F	817422048	QPVOJSIKGVIKJC-ZWNOBZJWSA-N	312.272	1.019	50	20	DDGD	
CC1(C(=O)NNC(=O)Cc2ccc(Cl)cc2)CCOCC1	726768045	IZCGQZQJKLBTHX-UHFFFAOYSA-N	310.781	1.847	50	20	DDGD	
COc1cc(CC(=O)NNc2ncncc2F)cc(OC)c1O	817079888	BMHSQUPEVKKYHF-UHFFFAOYSA-N	322.296	1.024	50	20	DDGD	
COCCC(C)=NNC(=O)C(=O)NCc1ccc(Cl)cc1	814892150	MFZVWTHNAYDVJZ-UHFFFAOYSA-N	311.769	1.485	50	20	DDGD	
CCCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)C1CCCCC1	728435394	ZVEZERATFOWADE-LLVKDONJSA-N	317.455	1.777	50	20	DDGD	
CC1(C)Cc2cc(NC(=O)NNC(=O)c3cc[nH]n3)ccc2O1	821846883	ZWBLOALVQMHPBW-UHFFFAOYSA-N	315.333	1.590	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1nc(-c2ccncc2)no1)[C@@H](C)N	828217745	MBEPMMJMYRFFCN-KOLCDFICSA-N	304.354	1.194	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c2ncccc12	823475086	NVIBUDAVQDCLCB-YPMHNXCESA-N	313.357	1.729	50	20	DDGD	
COc1cc(C(=O)N(C)C)ccc1NC(=O)NN(C)C1CC1	824226371	WFXFWLYYQBRUPW-UHFFFAOYSA-N	306.366	1.528	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccnc(OCCO)c1	825864631	WLUHTWNHCMBPEI-UHFFFAOYSA-N	312.326	1.014	50	20	DDGD	
CSC[C@H]1CCCN(C(=O)/C(C#N)=C/c2cnn(C)c2)C1	491127161	AKUJRNYVNUAUKO-VWBIBIBXSA-N	304.419	1.929	50	20	DDGD	
Cc1ccccc1OCC(=O)NNc1cccc(-c2nn[nH]n2)c1	826307351	DXGJJRVSRPNYKC-UHFFFAOYSA-N	324.344	1.697	50	20	DDGD	
CC(C)Cn1ncc(C(=O)NN(C)[C@H](C)CO)c1C(F)F	823940276	WCEHAPLUWZVQIH-SECBINFHSA-N	304.341	1.434	50	20	DDGD	
CCc1ccnc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1	825728786	ZYEVDROTXRTLDX-UHFFFAOYSA-N	309.333	1.581	50	20	DDGD	
Cc1ccn2cc(CNS(=O)(=O)CCCCl)nc2c1	726868300	TVCNQCWZVDXMOG-UHFFFAOYSA-N	301.799	1.691	50	20	DDGD	
CS(=O)(=O)CCCCNC(=O)/C(C#N)=C/c1ccc(O)cc1	491177921	ZSEABJFKPZJMFG-JLHYYAGUSA-N	322.386	1.240	50	20	DDGD	
CN(NC(=O)c1cnn(-c2cccnc2)c1)C(=O)OC(C)(C)C	496846177	KHFGUIUVNNBLEV-UHFFFAOYSA-N	317.349	1.779	50	20	DDGD	
CO[C@](C)(C=NNC(=O)CCNC(=O)OC(C)(C)C)C1CC1	495884695	JAVDZPIKVCRMHY-OAHLLOKOSA-N	313.398	1.818	50	20	DDGD	
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cccnc1	495534687	ULIGLTAZDCKAIV-LLVKDONJSA-N	322.365	1.146	50	20	DDGD	
N#Cc1ccc(Br)c(NNC(=O)[C@@H]2CCOC2)c1	825156994	FJJAULBJUOVUGQ-SECBINFHSA-N	310.151	1.800	50	20	DDGD	
O=C(/C=C/[C@@H]1CCOC1)NNC(=O)c1cc2ccccc2o1	493129018	UYBZHGRPYQOICN-MVIFTORASA-N	300.314	1.787	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cnc(CC(F)(F)F)s1	901159833	UCILSNKWGNQKGB-UHFFFAOYSA-N	322.312	1.223	50	20	DDGD	
CC(C)Cn1ncc(NCc2ccc(B(O)O)o2)c1C1CC1	585041007	LQOLOCNKASRPFO-UHFFFAOYSA-N	303.171	1.301	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@@H](c2ccccc2)[C@@H](C)C1	827893366	BUVKQWJWSWBHOZ-GOEBONIOSA-N	317.433	1.915	50	20	DDGD	
O=C(c1ccc(C(F)(F)F)nc1Cl)N1CC[C@@H](B(O)O)C1	585079163	TVABCBSMASEONN-ZCFIWIBFSA-N	322.479	1.443	50	20	DDGD	
CCCN([C@H](C)C(=O)OC)S(=O)(=O)CC(C)(C)CCl	907706768	KULHHGSDWXMADM-SNVBAGLBSA-N	313.847	1.855	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)SC(=S)N1CCCC1	731904548	NWSFWOMBONAREP-JTQLQIEISA-N	317.480	1.682	50	20	DDGD	
CCc1cc(CNC(=O)NNC(=O)Nc2ccccc2C)n[nH]1	738482164	SNFRUIDIRLWFAG-UHFFFAOYSA-N	316.365	1.816	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CCN1C(=O)CCc2ccccc21	737787408	KIJLLERHWJKWSG-UHFFFAOYSA-N	317.389	1.549	50	20	DDGD	
CCCN1CCC[C@H](C(=O)NNc2nc(C)cc(OC)n2)C1	906878263	LMWSWQFYHSVWFV-LBPRGKRZSA-N	307.398	1.359	50	20	DDGD	
COc1ccc(NNC(=O)/C=C\CN(C)CC(F)(F)F)nc1	493149618	IPROYSVZULIWSY-ARJAWSKDSA-N	318.299	1.584	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NNC(=O)CC1CC1	496532734	IVDZHIKTKIUKJC-NSHDSACASA-N	311.382	1.333	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)c1cnn2cccnc12	734553650	WEVUJLWBAPIUBH-UHFFFAOYSA-N	307.235	1.904	50	20	DDGD	
CCc1ccc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)s1	731151240	JREBWQYRERZQLI-SECBINFHSA-N	300.405	1.195	50	20	DDGD	
OB(O)c1ccc(CNCCc2ccccc2OC(F)F)cc1	585036310	DWRSWUCGOOMNLD-UHFFFAOYSA-N	321.132	1.300	50	20	DDGD	
CCOCC(=O)NN=C1CC[C@@H](CNC(=O)OC(C)(C)C)C1	901184689	IDLNFHAPRYZPJJ-LLVKDONJSA-N	313.398	1.820	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)Nc1ccc2c(c1)OCO2)C1CC1	836347507	ILGLIUNVTLFTPN-SECBINFHSA-N	320.349	1.797	50	20	DDGD	
CCOc1cc(/C=C\C(=O)NNc2cnccn2)ccc1O	492740094	TXBDOQVVLIFRIB-XQRVVYSFSA-N	300.318	1.737	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccccn1)C(=O)OC(C)(C)C	734419067	YGWVBWPONITOTH-UHFFFAOYSA-N	322.365	1.100	50	20	DDGD	
OB(O)[C@@H]1CCN(c2cc(SCc3ccccc3)ncn2)C1	900967009	WMUNNSUYEVWNOJ-CYBMUJFWSA-N	315.207	1.822	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)C1CCc2ccccc2CC1	584910967	FETVQOKJANJIKA-UHFFFAOYSA-N	309.174	1.500	50	20	DDGD	
CC[C@@H]1c2ccccc2CCN1C(=O)c1cccc(B(O)O)c1	584946958	CEYUNMDLPBZJNP-QGZVFWFLSA-N	309.174	1.516	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCCCCC(=O)O)n1	831973016	XDIWONHBAJUEGX-UHFFFAOYSA-N	311.342	1.065	50	20	DDGD	
C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(B(O)O)cc1	584960172	ICVZDRDRUNOZAH-CXAGYDPISA-N	309.174	1.385	50	20	DDGD	
C[C@@H]1C[C@@H]1c1ccc(-c2nc(-c3ccc(B(O)O)cc3)no2)o1	585050585	DGHSYOFDZAEQEA-SKDRFNHKSA-N	310.118	1.800	50	20	DDGD	
O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)c1ccc(B(O)O)cc1	584951181	VTSVPRGBDKNYSU-FUHWJXTLSA-N	323.201	1.508	50	20	DDGD	
C[C@@H](NCc1ccccc1B(O)O)[C@@H](C)Oc1ccccc1F	585030146	WZXIHPXJXBQVPX-CHWSQXEVSA-N	317.169	1.451	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H]1c2c[nH]nc2CC[C@H]1C)C1CC1	912161180	QLIASRMXXAZXRY-ZDMBXUJBSA-N	321.450	1.369	50	20	DDGD	
CCCn1cccc1C=NNC(=O)[C@@H](C)CN1CCOCC1	918153203	VBKIZNGAKUFAHL-AWEZNQCLSA-N	306.410	1.317	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cncc(C(=O)O)c2)cc1	833670552	ZSXJMYVDEBLJME-UHFFFAOYSA-N	313.313	1.417	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccccc1COC1CCOCC1	910159977	DFWNWVRQIRLMLO-ZDUSSCGKSA-N	322.405	1.340	50	20	DDGD	
COc1cccc(SCC(=O)NNC(=O)CC(F)(F)F)c1	918703634	DSCKSORLJXOXEJ-UHFFFAOYSA-N	322.308	1.887	50	20	DDGD	
C#CCOc1ccc(C(=O)NNC(=O)NC2CCCC2)cc1	741678160	LZBZXGIKOQJNIK-UHFFFAOYSA-N	301.346	1.585	50	20	DDGD	
C[C@@H](CN)CNC(=O)NNC(=O)c1cc2c(s1)CCCCC2	841963900	XBSDBVMNCNUKNY-JTQLQIEISA-N	324.450	1.556	50	20	DDGD	
CC(F)(F)CCC(=O)NNC(=O)c1cc(Br)c[nH]1	915686445	YMPKQXBDKMJRHB-UHFFFAOYSA-N	324.125	1.974	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@H]1CNCCC1(F)F	843378992	MXJOGACZYJFPCO-SSDOTTSWSA-N	313.333	1.379	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(N(C)C)c(F)c1	748253654	QCOGBBCLPLWBQQ-NSHDSACASA-N	311.357	1.393	50	20	DDGD	
COc1cc(C(=O)NN=C2CO[C@@H](C)C2)cc(OC)c1OC	842519063	DRUCDSCHMORQKY-VIFPVBQESA-N	308.334	1.607	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@H](CN)C1CCCC1	841988966	XKRCCKLRCKJFFA-OAHLLOKOSA-N	318.421	1.385	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc(O)c(OC)c1	740763217	CCSBAPQOPUMLSK-UHFFFAOYSA-N	307.350	1.156	50	20	DDGD	
Cc1n[nH]c(C)c1C=NNC(=O)c1ccc2c(c1)OCCO2	915958316	YLHMRTWGNLMJSL-UHFFFAOYSA-N	300.318	1.562	50	20	DDGD	
CCOC1CC(C(=O)NNc2cc(O)nc3ncccc23)C1	913989876	SJKZEENDFJEVNQ-UHFFFAOYSA-N	302.334	1.594	50	20	DDGD	
CCOc1ccc(C=NNC(=O)N2CCOCC2)cc1OCC	745592281	SZEDYLBFXQSYSD-UHFFFAOYSA-N	321.377	1.860	50	20	DDGD	
Cc1nnc(NNC(=O)Cc2coc3cc(F)ccc23)nc1O	748290218	MXUIUARBGJKMCS-UHFFFAOYSA-N	317.280	1.457	50	20	DDGD	
CCOc1ccc([N+](=O)[O-])cc1C=NNC(=O)[C@H]1CCO[C@H]1C	842559875	YDDPNPKXGSHVQB-GWCFXTLKSA-N	321.333	1.869	50	20	DDGD	
N#Cc1ccc(NNC(=O)C[C@H](NC(N)=O)c2ccccc2)cc1	748104961	TZDGPKUMLKSKKX-HNNXBMFYSA-N	323.356	1.801	50	20	DDGD	
CC(C)Cn1nccc1C(=O)NNC(=O)NC1CCCCC1	843752258	NDJKBGBYIJVHTA-UHFFFAOYSA-N	307.398	1.816	50	20	DDGD	
Cc1cc2c(cc1C)O[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)C2	843654813	SOKKEFBVRUEULE-KYOSRNDESA-N	318.373	1.179	50	20	DDGD	
COc1ccc2[nH]cc(CC(=O)NNC(=O)c3ccccn3)c2c1	915286863	VLKJIIKWJDAYIO-UHFFFAOYSA-N	324.340	1.575	50	20	DDGD	
CCOc1ccc(C=NNC(=O)[C@@H]2CCO[C@H]2C)cc1OC	842553582	IDQXSXLFZVBYJS-WCQYABFASA-N	306.362	1.969	50	20	DDGD	
O=C(COc1ccc2c(c1)CCC2)NNC(=O)CC(F)(F)F	918364427	BMTHJYUVKIBITN-UHFFFAOYSA-N	316.279	1.654	50	20	DDGD	
Cc1cccc(C)c1NCC(=O)NNC(=O)[C@H]1CCO[C@H]1C	843979181	MORPPRAUDBGLMM-STQMWFEESA-N	305.378	1.288	50	20	DDGD	
CC1(C)Cc2cccc(C(=O)NNC(=O)NCC3CC3)c2O1	847390815	MWMRZAOISKTAFM-UHFFFAOYSA-N	303.362	1.754	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H]2C(N)=O)cc1	847288167	VZEBAUGCPSVOIS-CHWSQXEVSA-N	317.389	1.257	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CCCN)ccc1OC(C)C	841125511	OOVDYEQWLIXAAB-UHFFFAOYSA-N	308.382	1.674	50	20	DDGD	
O=S(=O)(CBr)N1CCSC[C@@H]1C1CCC1	841573869	FEPPIUKXTYNDDP-SECBINFHSA-N	314.270	1.886	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NNc1nc(-c2cccnc2)no1	746240925	CSVUYUKZGXPMLB-GHMZBOCLSA-N	316.365	1.448	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNc1oc(C(C)C)nc1C#N	845335217	CGKAQBJTXZTBMQ-UHFFFAOYSA-N	307.354	1.275	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	848189740	PSGOUJSNQOTPSD-HTQZYQBOSA-N	312.713	1.203	50	20	DDGD	
CCn1cc(CNC(=O)NNc2ccc(Cl)cc2F)nn1	923259450	GYMPLIQMKNEGJE-UHFFFAOYSA-N	312.736	1.917	50	20	DDGD	
Cc1csc([C@H](NCC(=O)NNC(=O)C(C)(C)C)C2CC2)n1	754201912	HAVSAVXQPDIXKY-GFCCVEGCSA-N	324.450	1.686	50	20	DDGD	
O=C(NCCO[C@@H]1CCOC1)NNc1cc(F)ccc1F	927526193	LGJVKMIFWBQUFD-SNVBAGLBSA-N	301.293	1.396	50	20	DDGD	
O=C(Cc1cncc(O)c1)NNc1ccc(C(F)(F)F)nn1	857476769	SNWIUBUZVWMTNU-UHFFFAOYSA-N	313.239	1.282	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21	929256488	FDUUHTWXSUKVEG-UEXPRFDQSA-N	324.384	1.476	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(F)ccc1Br	757661707	PBTLCWFRJPLDAU-UHFFFAOYSA-N	320.118	1.387	50	20	DDGD	
Cc1cccc(Oc2ccc(NC(=O)NNC(=O)CO)cc2)c1	755431676	NBSNQSYDHYZGMB-UHFFFAOYSA-N	315.329	1.932	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H]2CCCc3nn[nH]c32)cc1	854656112	DCQBGSVHANJIDN-LBPRGKRZSA-N	301.350	1.767	50	20	DDGD	
C[C@H]1CN(C(=O)CN(C)NC(=O)OCc2ccccc2)CCO1	859390350	ZIGKKQDQFIGXPD-ZDUSSCGKSA-N	321.377	1.007	50	20	DDGD	
Cc1nccn1CCCCNC(=O)NNc1ncc(Cl)cn1	856869879	NHWAFOPQNYYIRS-UHFFFAOYSA-N	323.788	1.741	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC[C@H]2CCCS2)cc1	757254410	KIWVJXYUCFQBIL-CYBMUJFWSA-N	323.418	1.600	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NN=C[C@H]2CC2(Cl)Cl)c1	853323552	YTNKMDAPRUCXLV-SECBINFHSA-N	315.160	1.949	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2nc3ccc(Cl)cc3s2)C1=O	856234497	ASEBEQQYIKKIND-QMMMGPOBSA-N	324.793	1.871	50	20	DDGD	
CC[C@]1(O)CCN(C(=O)NC[C@]2(C)C[C@H]2Br)C1	856953689	SXFFNGWJEJPPFD-USWWRNFRSA-N	305.216	1.716	50	20	DDGD	
COc1ccc(CC(=O)NC[C@@]2(C)C[C@@H]2Br)nc1	857387719	MBQQTQGGFUGWCK-WCQYABFASA-N	313.195	1.922	50	20	DDGD	
Cn1nncc1NNC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1	857270436	CAWSWHUCOPRZRP-JTQLQIEISA-N	317.246	1.988	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@H]1CC[C@H](O)CC1)c1ccccc1	753715732	ZTADYQVZUCKDJP-KKUMJFAQSA-N	319.405	1.814	50	20	DDGD	
C[C@@]1(CNC(=O)NCCCCCCN)C[C@H]1Br	857106631	TWNMPNBSDWJLPS-PWSUYJOCSA-N	306.248	1.978	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)c1ccc[nH]1	755320194	FLKDUTAPCDTYQJ-UHFFFAOYSA-N	319.277	1.398	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1ccccc1-n1cnnn1	754479731	DMFHOWQWYIMZDK-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
O=C(CCCn1ccccc1=O)NN=c1cc[nH]cc1Cl	757420128	NSKXPXRXGCFRHQ-UHFFFAOYSA-N	306.753	1.242	50	20	DDGD	
CC1(C)CC(=NNC(=O)C(=O)NC2CC2)c2ccccc2O1	751520982	MUEABDDMPKJAPO-UHFFFAOYSA-N	301.346	1.347	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCOCC2(CCC2)C1	759914875	MEFUOKATXKAQFU-CYBMUJFWSA-N	311.426	1.071	50	20	DDGD	
CCn1ccnc1C=NNC(=O)[C@H](C)Oc1ccccc1F	755554041	XTCVHVCAPWDINR-NSHDSACASA-N	304.325	1.960	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2ncc(Cl)cn2)CN1C1CC1	856877372	QPINKKFHHMHJCG-WCBMZHEXSA-N	310.789	1.381	50	20	DDGD	
Cn1cncc1CNC(=O)NC[C@@]1(C)C[C@H]1Br	856857493	CRLAIBNAOWOXLR-MWLCHTKSSA-N	301.188	1.393	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2c(C)nc(N)nc2C)n1	857541270	OLENBHPWQWNZOF-UHFFFAOYSA-N	307.745	1.184	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)C[C@H]1Br	857391977	WSUFBTYMHPEOQL-VWMGYNLJSA-N	317.227	1.568	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCc2nn[nH]c21)Nc1ccccc1	854376613	FNEZKVWYQNTJBE-SNVBAGLBSA-N	300.322	1.078	50	20	DDGD	
C[C@]1(CNC(=O)NCC2CCOCC2)C[C@@H]1Br	856838730	HVQNQUQPLXOVME-CMPLNLGQSA-N	305.216	1.886	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)c2cc(OC)cc(OC)c2)O1	756900259	WMGDGRUTTSQQFD-BXUZGUMPSA-N	322.361	1.422	50	20	DDGD	
COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)NNc1ccccc1	759405194	UANWZDMBVJBTSI-UHFFFAOYSA-N	316.317	1.192	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1nc2cnccc2s1	854683220	MAQHJQDDXOCCJQ-SECBINFHSA-N	306.347	1.021	50	20	DDGD	
CCc1cccc(C(=O)NNc2cc(Cl)nc(N)n2)c1O	753456729	BNFSQPMPUCKRNW-UHFFFAOYSA-N	307.741	1.737	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NNC(=O)CC1CC1	861840389	HNWGPNMWDCEPPW-JTQLQIEISA-N	313.398	1.579	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)/C=C/CN1CCOCC1	868059109	VIOWAUGZHKBOJP-VMPITWQZSA-N	303.406	1.889	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1cc(F)c(C(=O)O)cc1F	865215509	SAIYLNRSXHZMEP-BJMVGYQFSA-N	324.283	1.723	50	20	DDGD	
CCCCCC[C@@H](CC)C(=O)NNC(=O)CS(C)(=O)=O	863462995	ATJZWMYLUSBWHG-LLVKDONJSA-N	306.428	1.175	50	20	DDGD	
CC(C)(C(N)=O)C(=O)NNc1ccc(F)cc1Br	768093113	CUYJKRXCZQYTJD-UHFFFAOYSA-N	318.146	1.543	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H](C)n2nnnc2C(C)(C)C)n1	862521170	JUIBKEQOWXOGEW-SNVBAGLBSA-N	303.370	1.378	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CCc1cn[nH]c1	863852351	ZYMAIHDNJZQUBJ-SNVBAGLBSA-N	320.324	1.096	50	20	DDGD	
CCC(CC)(CNC(=O)c1cc(B(O)O)ccc1F)SC	863873520	HRXFIPMMURCVSP-UHFFFAOYSA-N	313.203	1.157	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC2CCC(F)(F)CC2)n1	761782424	IHUIBLAVGGAFFY-UHFFFAOYSA-N	315.324	1.998	50	20	DDGD	
CCCCOc1ccc(C=NNC(=O)[C@@H]2CCC(=O)N2)cc1	863146382	QVIRPIIEJNCMIW-AWEZNQCLSA-N	303.362	1.594	50	20	DDGD	
CC[C@@](C)(O)C(=O)NNC(=O)CSc1ccccc1OC	935142188	PYYNNHBXDLDRGW-CQSZACIVSA-N	312.391	1.096	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NN[C@H](C)C(F)(F)F	862306041	BHDFCMVQTRGLTE-VAOFZXAKSA-N	304.268	1.787	50	20	DDGD	
C[C@H](C(=O)NNc1cnccn1)n1ccc(C(F)(F)F)n1	867493342	KRJYKDVOTRPGSL-SSDOTTSWSA-N	300.244	1.396	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@@H]1CC12CCOCC2	863096276	BMVAKJUSQGBZBT-ZETCQYMHSA-N	302.243	1.622	50	20	DDGD	
CCOC(=O)c1cnc(C)c(C(=O)NNc2ncccn2)c1	767170239	FNXGUHUDDZHOFB-UHFFFAOYSA-N	301.306	1.114	50	20	DDGD	
Cc1sc(NC(=O)c2ccc(B(O)O)cc2)nc1C(C)C	863887379	ZPWSANMARBECMC-UHFFFAOYSA-N	304.180	1.507	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(F)cc1Cl	767786575	BUUORGHMMNTLGE-SECBINFHSA-N	302.733	1.981	50	20	DDGD	
CC(C)[C@@H]1CNCCN1C(=O)NC[C@]1(C)C[C@H]1Br	861654760	WANQRFHIRVLAKA-LOWVWBTDSA-N	318.259	1.799	50	20	DDGD	
C[S@@](=O)C1(CNS(=O)(=O)CC(C)(C)CCl)CC1	867228271	OBPZSFRXIIAACH-MRXNPFEDSA-N	301.861	1.082	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cc(C)sn2)cc1	769866320	RIACHYGDVJGAHH-UHFFFAOYSA-N	304.375	1.633	50	20	DDGD	
Cn1cc(C=NNC(N)=O)c(-c2ccc3c(c2)OCCCO3)n1	767811704	VUCNTXGEJLUHQO-UHFFFAOYSA-N	315.333	1.251	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1ncc(Cl)s1	1116857149	SJQNLHGVFWOROV-UHFFFAOYSA-N	300.727	1.534	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H]1CCOC2(CCOCC2)C1	769201279	SBNLBGRXDFFTID-GFCCVEGCSA-N	313.398	1.091	50	20	DDGD	
CC1=NO[C@H](CNC(=O)NC[C@@]2(C)C[C@H]2Br)C1	875956788	NXFPAWAWHIHYNB-IQJOONFLSA-N	304.188	1.624	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC[C@@H](N2CCCCC2=O)C1	870830924	MQVJQMNOTUHTSV-XTZCOPOCSA-N	305.378	1.434	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1cnn(-c2ccccn2)c1	775337876	KIOFZNJYCPDBMP-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cc(F)ccc2OC)n1	775700440	VPCRGDOEWPQRHO-UHFFFAOYSA-N	307.285	1.782	50	20	DDGD	
COc1c([N+](=O)[O-])ccc(C=NNC(=O)c2ccncc2)c1O	772991470	UVWKMUZIEGTEGR-UHFFFAOYSA-N	316.273	1.468	50	20	DDGD	
Cn1c(=O)oc2c(NC(=O)NNc3ncccn3)cccc21	775686801	JSKZZUCLHCFSJG-UHFFFAOYSA-N	300.278	1.070	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1ccccc1Cl	771973516	FQPPHJVUHUYSDG-SECBINFHSA-N	312.753	1.372	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(C(=O)OC)c(C)cc1C	879344411	BFWJGFYBKMCWPH-UHFFFAOYSA-N	309.366	1.705	50	20	DDGD	
CC[C@H]1CO[C@@H](C)CN1CC(=O)NNC(=O)c1cccc(C)c1	777554720	GOXHPFIXOSZMRC-ZFWWWQNUSA-N	319.405	1.255	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cccs1)C(C1CC1)C1CC1	777567218	PVOJDFRCWGTJKJ-UHFFFAOYSA-N	307.419	1.630	50	20	DDGD	
Cc1cc(=NNC(=O)NCCCOCC(F)(F)F)cc[nH]1	875074576	RYMOEQWGYGKARY-UHFFFAOYSA-N	306.288	1.407	50	20	DDGD	
Cc1nnc2n1C[C@H](C(=O)OC[C@H](C)CBr)CC2	770404139	PORVTTSHYKFOTJ-PSASIEDQSA-N	316.199	1.723	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@@H]1C1CCCCC1)c1cccnn1	883849683	IAGXRLSTWKQADR-CQSZACIVSA-N	317.393	1.876	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2cccc3nccn23)cc1	771097480	MCRXTUCYWICYIJ-UHFFFAOYSA-N	321.340	1.732	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(Cl)c(C)c1	772186786	QNCVFSAOZRAWGV-VIFPVBQESA-N	312.753	1.751	50	20	DDGD	
COc1cccc([C@H](CNS(=O)(=O)CCCCl)OC)c1	882436324	RUBAGLSYDHRMEP-ZDUSSCGKSA-N	321.826	1.931	50	20	DDGD	
CCc1noc(COCC(=O)NNc2ccc(F)c(F)c2)n1	885117449	SZMVCFMMOYXRLH-UHFFFAOYSA-N	312.276	1.570	50	20	DDGD	
CCCN1CC[C@@H](CNC(=O)NNc2ccc(C#N)cn2)C1	887260261	NNYDAIYGEQNXCN-ZDUSSCGKSA-N	302.382	1.311	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1cc2nn[nH]c2cc1F	781951660	NMQXRKODYSJMBT-UHFFFAOYSA-N	317.240	1.157	50	20	DDGD	
COC(=O)CCc1cccc(NC(=O)NNC(=O)CC(C)C)c1	881095041	JOBZMAZYKCVJRZ-UHFFFAOYSA-N	321.377	1.991	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NC[C@@H](Oc1ccccc1)C(=O)OC	887272431	NFBLVWWFQKMWHJ-IEZBTEQYSA-N	318.329	1.167	50	20	DDGD	
C[C@@H](NCC(=O)NNC(=O)c1cccc(C#N)c1)c1ccccn1	782986538	CVNMLMRMRVNKSM-GFCCVEGCSA-N	323.356	1.065	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@H](O)CCc1ccccc1	899996687	QFDPFVWQPVULMH-LBPRGKRZSA-N	309.435	1.274	50	20	DDGD	
O=C(Cc1cccnc1)NN=CC1CCC2(CC1)OCCO2	788713563	ADLRASYINGWQGS-UHFFFAOYSA-N	303.362	1.659	50	20	DDGD	
COc1ccc(C(=O)NN=c2cc[nH]cc2)c(OC)c1OC	780757693	XDROOHNSUMWDMD-UHFFFAOYSA-N	303.318	1.286	50	20	DDGD	
COc1ccnc(NNC(=O)NCC2(OC)CCCCCC2)n1	898942791	VZPCGWSFGRINRH-UHFFFAOYSA-N	323.397	1.851	50	20	DDGD	
CCc1onc(C)c1NC(=O)C(=O)NNc1cccnc1Cl	784849884	YYTNIOYAGWYMNM-UHFFFAOYSA-N	323.740	1.676	50	20	DDGD	
CS(=O)(=O)Nc1cccc(C(=O)N2CC=C(C#N)CC2)c1	780684989	KHSGPWAWCCQYPY-UHFFFAOYSA-N	305.359	1.354	50	20	DDGD	
CCc1cncc(C(=O)NNC(=O)NCCc2cccs2)c1	789909859	LUVUXLOEKDOTIO-UHFFFAOYSA-N	318.402	1.892	50	20	DDGD	
CCC1(C(=O)NNC(=O)NCc2ccc(Cl)cc2)COC1	787429700	VCVUMAZOOGVDCE-UHFFFAOYSA-N	311.769	1.597	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc(O)c(Cl)c1	899991851	BYNQAIIMQREIAX-UHFFFAOYSA-N	301.799	1.953	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)C1CCC(O)CC1	792336724	XIRFMNYCHBWBLM-UHFFFAOYSA-N	314.183	1.838	50	20	DDGD	
N#Cc1ccc(C[C@@H](C#N)C(=O)NNC(=O)c2cccnc2)cc1	792012063	LZUMJYOQEPVGLZ-HNNXBMFYSA-N	319.324	1.097	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNC(=O)c2ccc(C)c(O)c2)s1	899218443	BXIBXXOMJRGOKX-UHFFFAOYSA-N	319.386	1.778	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCC[C@@H]1c1ccccn1	794916511	ZWNLINBJCZQULW-QWHCGFSZSA-N	305.378	1.873	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H](C)n2cnc3ccccc32)n1	794075103	LBKKHIJBEKNCBO-LBPRGKRZSA-N	323.356	1.762	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42	793956384	YCDBUBSFTNCMMQ-RJCJOANDSA-N	321.384	1.566	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/C=C\c1ccccc1[N+](=O)[O-]	794957343	AJLHREWSXYMYDD-BAIUDDDUSA-N	307.331	1.907	50	20	DDGD	
Cc1cccc(C(=O)NNC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)n1	795012433	NIUSFQPHTVEXFK-GVXVVHGQSA-N	304.419	1.688	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccnn1-c1ccccc1	792085467	WENKPMLNBRGXRA-UHFFFAOYSA-N	301.350	1.616	50	20	DDGD	
O=C(Cc1ccc2n[nH]cc2c1)NNc1ncncc1Cl	793892779	WWNUMDPEGLUHSC-UHFFFAOYSA-N	302.725	1.692	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1c(O)ccc(Cl)c1F	790167128	LGWZMUCGEXTEGO-QMMMGPOBSA-N	318.732	1.686	50	20	DDGD	
O=C(CO[C@H]1CCOC1)NNc1cccc(C(F)(F)F)c1	1319055179	OGJRIHKIGXECOQ-NSHDSACASA-N	304.268	1.954	50	20	DDGD	
C[C@H](COc1ccccc1F)NC(=O)NNC(=O)C1CCC1	1318412701	ZXXUBOQDOJOYTG-SNVBAGLBSA-N	309.341	1.724	50	20	DDGD	
COc1cc(F)cc(NC(=O)NNC(=O)c2cccnc2)c1	1320424108	FMYSPRQKNGBCDR-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
CC(C)c1cc(NC(=O)C(=O)NNc2ncc(Cl)cn2)no1	1328494406	HYWQNJKXCSZHPH-UHFFFAOYSA-N	324.728	1.323	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H](OC)c1ccc(Cl)cc1	1332709278	MDQFJORYVASKDY-NSHDSACASA-N	315.757	1.940	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	1334548376	GRUYNYLMJUUTDA-KEPMVKOISA-N	317.227	1.581	50	20	DDGD	
CC(C)(CO)N1CCN(C(=O)c2cccc(CCl)c2)CC1	1337151695	NBSKVCKYAHFECP-UHFFFAOYSA-N	310.825	1.954	50	20	DDGD	
Cc1nc(CCCC(=O)NNC(=S)NC(C)C)cs1	1331097970	YLAWSOUKHWSHDR-UHFFFAOYSA-N	300.453	1.678	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)CC(=O)NNC(=O)[C@H]1CCCCO1	1337302295	ZZXDJNBZQIXIGU-JOYOIKCWSA-N	309.366	1.502	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](C)[C@H]2CN(C)CCN2C)cc1F	1263778797	RSGNYAPXJJJRPM-IUODEOHRSA-N	323.416	1.395	50	20	DDGD	
CC(C)[C@H](NC(=O)NNc1cccc(F)n1)c1cnn(C)c1	1263181421	MAZSZVPUDFLBCV-ZDUSSCGKSA-N	306.345	1.978	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCC(F)F)cc1OC	1340497238	DMSXBPZTQLWHJN-UHFFFAOYSA-N	317.292	1.303	50	20	DDGD	
C[C@H]1CNc2c(C(=O)NNc3cnc4ccccc4n3)cnn2C1	1347146907	ASLMVIFZQVWZSH-JTQLQIEISA-N	323.360	1.645	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)c1cc(C(=O)O)on1	1601270696	UEIPJCHTNCDBGJ-UHFFFAOYSA-N	317.301	1.157	50	20	DDGD	
Cc1c(C(=O)O)cc(CNC(=O)NNc2ncccc2F)n1C	1607515657	PNZKLKBTACIWGY-UHFFFAOYSA-N	321.312	1.392	50	20	DDGD	
Cc1oc(C=NNC(=O)[C@@H]2Cc3ccccc3O2)cc1C(=O)O	1600838490	SGXMCYRRJXJNFA-AWEZNQCLSA-N	314.297	1.740	50	20	DDGD	
Cc1cnc(CC(=O)NNc2ccc(C(=O)O)cc2F)s1	1600620372	LLGSPVUDGMPOLF-UHFFFAOYSA-N	309.322	1.975	50	20	DDGD	
O=C(CCn1cc([N+](=O)[O-])cn1)NNc1cccc(C(=O)O)c1	1601300820	SHOOCWCXCYZYTR-UHFFFAOYSA-N	319.277	1.023	50	20	DDGD	
N#Cc1ccc(NNC(=O)N[C@H]2CC[C@@H](CC(=O)O)C2)nc1	1608208849	QIYPDDPJMPCKDH-KOLCDFICSA-N	303.322	1.223	50	20	DDGD	
Cc1ncsc1/C=C\C(=O)NNc1ccc(C(=O)O)cn1	1607993892	GJOJIWMDZTUVBP-HYXAFXHYSA-N	304.331	1.701	50	20	DDGD	
COCC[C@@H](C)CNC(=O)NNc1ccc(CC(=O)O)cc1	1606852360	ITGHQJDHEURIBL-LLVKDONJSA-N	309.366	1.612	50	20	DDGD	
CSSCCNC(=O)c1ccsc1-c1nn[nH]n1	1605381679	YVPCPNJLPBCIKW-UHFFFAOYSA-N	301.422	1.669	50	20	DDGD	
CCOc1cc(C(=O)NNc2ccc(C(=O)O)cc2F)[nH]n1	1605659335	UPUWOJNYGCCHNN-UHFFFAOYSA-N	308.269	1.403	50	20	DDGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)CC(=O)O)cc1	1603951196	MLOKXXSQOAETAC-UHFFFAOYSA-N	311.363	1.266	50	20	DDGD	
Cc1cccc(NNC(=O)C2=NO[C@]3(CCCNC3)C2)c1Cl	1579772316	VZUGBXQEWUEOCE-OAHLLOKOSA-N	322.796	1.990	50	20	DDGD	
COC(C)(C)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1841108153	BZKZPOAGHPYXHK-SECBINFHSA-N	306.765	1.149	50	20	DDGD	
Cn1nc(NC(=O)NNC(=O)CCCCCN)c2ccccc21	1579996453	DNKJEQQGUMZZGO-UHFFFAOYSA-N	318.381	1.245	50	20	DDGD	
N[C@H](CC(=O)NNC(=O)c1ccccc1F)Cc1ccccc1	1580405356	HXSIRPKPZBSDGO-ZDUSSCGKSA-N	315.348	1.547	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc[nH]n1	1847896725	MSGSMHUINMSHAJ-USWWRNFRSA-N	310.785	1.243	50	20	DDGD	
CC[C@H](C)n1nccc1C(=O)NNc1ncccc1C(=O)O	1589463778	JYYLYLBDPHAEKS-VIFPVBQESA-N	303.322	1.704	50	20	DDGD	
CO/C=C(\C)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843364644	UWOHDCAGCDTDQY-OLKPEBQYSA-N	304.749	1.274	50	20	DDGD	
Cc1[nH]c(C#N)cc1C(=O)NNc1ccc(C(=O)O)c(F)c1	1599942386	HVZLWMBFRFZDHX-UHFFFAOYSA-N	302.265	1.789	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1ccnn1C)C2	1845163947	CSGUZWWVZKCVLE-NSHDSACASA-N	324.812	1.255	50	20	DDGD	
CCC[C@H]1C[C@H](C(=O)NNc2ccc(C(=O)O)cn2)CCO1	1595620162	YDJMOYIKNNRCQY-PWSUYJOCSA-N	307.350	1.818	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@@]2(C(=O)O)CC=CCC2)c1	1594626159	UOAZWZLZYVNISD-MRXNPFEDSA-N	313.313	1.130	50	20	DDGD	
O=C(NN=Cc1cc(C(=O)O)c(Cl)s1)c1cnsn1	1776105263	VTFROEFPVDQBMK-UHFFFAOYSA-N	316.751	1.715	50	20	DDGD	
Cc1ncc(C=NNC(=O)Nc2ccc(C(=O)O)cc2)n1C	1776045895	QXHUWWGJOAUSKW-UHFFFAOYSA-N	301.306	1.582	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cccc(-n3ccnn3)c2)n1	161955059	NEWYESOECWQRSK-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(C(C)C)n(-c2ccccc2)n1	151339490	OEZLZQTWLJNWFJ-UHFFFAOYSA-N	315.377	1.960	50	20	DDGD	
CCCCOCC(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	151101672	OCQDUOJUTLICDE-UHFFFAOYSA-N	322.390	1.716	50	20	DDGD	
CC(C)C1CCC(CNC(=O)NNC(=O)C(=O)NC2CC2)CC1	152776763	DBWHUPKBQRYXMJ-UHFFFAOYSA-N	324.425	1.058	50	20	DDGD	
CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)CBr	127115983	SUYFKGRQWOLXBA-QMMMGPOBSA-N	314.201	1.086	50	20	DDGD	
ICCN1CC[C@@H](CN2CCCC2)C1	190907623	OBWQQBVPZFKTGY-NSHDSACASA-N	308.207	1.839	50	20	DDGD	
CNC(=O)NNC(=O)c1ccccc1C(=O)c1cccs1	56375129	MFIJHRGCKLWVEH-UHFFFAOYSA-N	303.343	1.553	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCc1ccccn1	9736868	NOFZWVOPULTTDQ-UHFFFAOYSA-N	302.309	1.294	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cc3ccccc3o2)nc1	177740757	UYEHAGGXWJTDES-UHFFFAOYSA-N	306.281	1.774	50	20	DDGD	
NC(=O)[C@@H](NNC(=O)Cn1ccc2ccccc21)c1ccccc1	105407732	TXXSHARPUMEBGZ-KRWDZBQOSA-N	322.368	1.489	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NNc1ccc(C(N)=O)nn1	119455209	VDLXNZISLILXQE-IUCAKERBSA-N	317.374	1.192	50	20	DDGD	
CCOc1ccc(SCC(=O)NNC(=O)NC2CC2)cc1	64428473	XAAHEIJSNQLIPG-UHFFFAOYSA-N	309.391	1.670	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cc2cn3ccccc3n2)cc1	171208009	KDBMSLFELJBSGE-UHFFFAOYSA-N	319.324	1.210	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	119771403	IBWHOCUKNOHPAR-GUYCJALGSA-N	322.405	1.769	50	20	DDGD	
CC(C)N(C)CC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	67571198	ZDUFRQBWSBVLKZ-NSHDSACASA-N	323.462	1.974	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)c1ccc(Cl)s1	175075748	BYCWMVVFZXVMAX-SSDOTTSWSA-N	317.798	1.177	50	20	DDGD	
C[C@@]1(C(=O)N2CCc3nnc(O)cc3C2)C[C@@H]1Br	1262171839	IQNRQLFWHPIIOT-JOYOIKCWSA-N	312.167	1.240	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H]2CCC[C@H](C)C2)c1O	175619156	ZZPWPMGOGJXQOO-WDEREUQCSA-N	306.362	1.988	50	20	DDGD	
Cc1nscc1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	179493252	PLIQQXCNGDTXAL-VIFPVBQESA-N	323.349	1.819	50	20	DDGD	
O=C(NCCCn1cnc2ccccc21)NNc1cccnn1	77334456	PXISIPVORZEKHR-UHFFFAOYSA-N	311.349	1.543	50	20	DDGD	
COc1cccc(CO[C@H](C)C(=O)NNc2ncccn2)c1	121776144	OLWOEDCJNPPWNZ-LLVKDONJSA-N	302.334	1.534	50	20	DDGD	
O=C(NNC(=O)c1cnns1)c1cc(-c2ccccc2)on1	123146281	VSKFDSMXNNMCTE-UHFFFAOYSA-N	315.314	1.268	50	20	DDGD	
CCN1CCO[C@H](C(=O)NNc2c(F)cccc2Cl)C1	184239825	GJOCEMMVHFZEGS-NSHDSACASA-N	301.749	1.643	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cccc(F)c2C#N)cc1	189064448	KIGUJLGNPIRNLP-UHFFFAOYSA-N	308.272	1.644	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NOC[C@H]1CCOC1	188317525	SVLFGTZJHYXRAN-NSHDSACASA-N	301.774	1.437	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccccc1C	76963333	BDULPOVVHRQLRI-UONOGXRCSA-N	305.378	1.465	50	20	DDGD	
CCCCc1nnc(NC(=O)NNC(=O)c2cc(C)n[nH]2)s1	182878527	YOLPGRGLEOFNNV-UHFFFAOYSA-N	323.382	1.379	50	20	DDGD	
C/C=C/C[C@@H](CO)NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	187180859	XQDIVGXQJBDVEW-XWCDTREBSA-N	312.373	1.555	50	20	DDGD	
CSCc1ccccc1NC(=O)NNC(=O)c1cnn(C)c1	184742351	HQQHWAROOVDHNO-UHFFFAOYSA-N	319.390	1.750	50	20	DDGD	
CC(C)CCn1ccc(NC(=O)NNC(=O)c2cccn2C)n1	183221095	CCSVRJNTKYTEJU-UHFFFAOYSA-N	318.381	1.734	50	20	DDGD	
CN(CC(=O)NNC(=O)CC1CCCC1)Cc1ccccc1	195204465	PCSHAKKTMHKVIM-UHFFFAOYSA-N	303.406	1.846	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H]2OCCC[C@H]2C1)c1ccccc1	132930957	APKPJCHPVSPZGB-UONOGXRCSA-N	303.362	1.542	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)c1)C(=O)Nc1ccccc1	192740336	RXVFDBRJBGMBOK-UHFFFAOYSA-N	317.732	1.740	50	20	DDGD	
CC(=O)Nc1ccc(Cl)c(C(=O)NNc2ncccn2)c1	134883303	VYUULYSKGKADSQ-UHFFFAOYSA-N	305.725	1.845	50	20	DDGD	
C[C@H]1CCCN(CCNC(=O)NNc2cccc([N+](=O)[O-])c2)C1	46377716	NBSXAYGLNWZIMC-LBPRGKRZSA-N	321.381	1.953	50	20	DDGD	
C[C@H](OC[C@H]1CCCO1)C(=O)NNc1cc(C#N)cc(Cl)n1	93546306	FCQDGTNZNWKYJW-GXSJLCMTSA-N	324.768	1.634	50	20	DDGD	
CCn1cc(Br)c(C(=O)NNC(=O)C(C)C)n1	1263701242	WUUMAGLSEYGYOJ-UHFFFAOYSA-N	303.160	1.083	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cc(C(C)C)no2)cc1	265076798	VFJXMUZGDZXGCS-UHFFFAOYSA-N	317.345	1.946	50	20	DDGD	
C/C=C(\C=C\C(=O)NNC(=O)CNC(=O)c1cccs1)CC	268820035	LKQGYGIKLSUPLG-BSFGFYRWSA-N	321.402	1.538	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H]2CCCC[C@H]2OC)n1	266954630	LBBKLEMRAKMCMQ-WDEREUQCSA-N	309.370	1.377	50	20	DDGD	
CC[C@H](COC)NC(=O)NNC(=O)CCc1ccc(OC)cc1	265808567	PAIYJLPBDCIEKO-CYBMUJFWSA-N	323.393	1.383	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CC2)c(Br)s1	268389721	FTUWNUFKLIHVDY-UHFFFAOYSA-N	303.181	1.990	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](C)OC[C@H]2CCCCO2)n1	266929998	NLVGPUFBCWFLBL-VXGBXAGGSA-N	324.381	1.211	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C[C@H]2CCCCO2)cc1	268068096	XZMCHWQDOFLTRJ-CQSZACIVSA-N	321.377	1.214	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)CNc1ccc(OC)cc1	266510663	BGVPNZPFHVWLJR-UHFFFAOYSA-N	321.377	1.237	50	20	DDGD	
C[C@@H](NC(=O)NNc1c(F)cccc1F)c1nnc2n1CCC2	265458950	PGLZMFNLVGPVRZ-MRVPVSSYSA-N	322.319	1.890	50	20	DDGD	
O=S(=O)(CBr)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	272779639	HEECNSLVGBTUMR-GARJFASQSA-N	302.193	1.597	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cc(OCC(F)F)ccn1	272097172	KMAVVQNPQLBSSC-UHFFFAOYSA-N	301.293	1.533	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)NCCCC#N)c1	273289796	SFFFVZGNUPYRHC-UHFFFAOYSA-N	304.350	1.316	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)C[C@@H]2CCCCO2)n1	279750284	YNCOIRHFTWNFME-LBPRGKRZSA-N	306.366	1.245	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)[C@H]1CCCS1	276405445	HJABMOGYSKVQJL-SECBINFHSA-N	307.404	1.939	50	20	DDGD	
N#CC1=CCN(CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CC1	272719023	ZAXZECCADRKZJW-KRWDZBQOSA-N	324.428	1.785	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1cc(C(F)F)ccc1Cl	274845639	PNRHSFMVYGFSQU-UHFFFAOYSA-N	320.727	1.992	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2ncnc3ccsc23)CCO1	271247784	ISJSOZMUAYECID-RKDXNWHRSA-N	307.379	1.885	50	20	DDGD	
Cc1ccc(N2CCOC2=O)cc1NC(=O)NNC(=O)C1CC1	274065689	FASDCOOKKLGXLP-UHFFFAOYSA-N	318.333	1.514	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H]1C[C@H]1c1cccnc1	362015670	XKGPMQJFPVLUOJ-WDEREUQCSA-N	310.448	1.043	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CC(C)(C)O)ccc1OC(C)C	279875680	HUMIGMRHLIPUKA-UHFFFAOYSA-N	324.377	1.404	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H](C)c2nnc(C)s2)n1	273657562	JQAUBOUYASFQEO-MRVPVSSYSA-N	307.383	1.641	50	20	DDGD	
C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CC=C(C#N)CC1	272627711	JZLZOZQDNXHKGQ-GFCCVEGCSA-N	304.394	1.689	50	20	DDGD	
COCCOc1cc(OC)ccc1C(=O)NNC(=O)C1CCC1	276588043	ZOVJXEPFCCPJGD-UHFFFAOYSA-N	322.361	1.282	50	20	DDGD	
COC(=O)c1ccc(C)c(NC(=O)NNC(=O)CC2CC2)c1	273366651	BJAFISVOMUXKIV-UHFFFAOYSA-N	305.334	1.734	50	20	DDGD	
COC(=O)[C@H]1C[C@H]1C(=O)NNC(=O)Nc1cccc(Cl)c1	283764851	NTUFNDPZYQBFMX-ZJUUUORDSA-N	311.725	1.302	50	20	DDGD	
COCCCONC(=O)NNC(=O)c1ccc(Cl)cc1	288007494	LTUGFUKCPDSZSI-UHFFFAOYSA-N	301.730	1.252	50	20	DDGD	
O=C(NC[C@H]1CCCOC1)NNc1ccc2c(O)nccc2c1	287162840	MNNNAHUNWJVUCV-LLVKDONJSA-N	316.361	1.993	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCc1c(C)noc1Cl	281339619	USQZZCHXVQFJGW-UHFFFAOYSA-N	302.787	1.250	50	20	DDGD	
COCC1(CNC(=O)NNC(=O)c2ccccc2O)CCC1	282492721	OEXNHDKBIRGZCP-UHFFFAOYSA-N	307.350	1.153	50	20	DDGD	
CC(C)(C)S(=O)(=O)CCNC(=O)NNc1ncccc1F	286874626	YYKVFMQUMYJTPQ-UHFFFAOYSA-N	318.374	1.060	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H](NC(N)=O)C(C)(C)C	288742218	PRXOSFGFVQDECL-LLVKDONJSA-N	323.353	1.429	50	20	DDGD	
CCc1nn(C)c(OC)c1CNC(=O)NNc1ncccc1F	286935461	PBBSWFQYALLVPG-UHFFFAOYSA-N	322.344	1.352	50	20	DDGD	
O=C(NCc1ccc(F)c(F)c1)NNC(=O)[C@H]1CCCCO1	297368976	VQOMYHOSIMJRRT-GFCCVEGCSA-N	313.304	1.364	50	20	DDGD	
O=C(Cc1cncs1)NNC(=O)Nc1ccc2c(c1)OCO2	802106044	PQVDIJYNGCVTPZ-UHFFFAOYSA-N	320.330	1.267	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H]2C[C@@]23CCc2ccccc23)O1	294209894	LPHKQVPWXILXMO-ZJQCNOOHSA-N	314.385	1.605	50	20	DDGD	
CC(=O)C1(C(=O)NNC(=O)NCc2ccc(Cl)cc2)CC1	294801198	DITYNEBDQYXOPU-UHFFFAOYSA-N	309.753	1.540	50	20	DDGD	
Cc1c(C(=O)NNC(=O)Nc2ccc(Cl)cc2)cnn1C	802021636	UVCOMCDRKJSKFD-UHFFFAOYSA-N	307.741	1.848	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H](C)OCC(C)C)cc1	802054124	KWHBQNQTADGYOM-LLVKDONJSA-N	309.366	1.909	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2c(C)nsc2C)c1	292400265	YEZFQEZQWLGLGE-UHFFFAOYSA-N	319.386	1.908	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2cccc(NC(C)=O)c2)CC1	293988487	SGFXAPNCGBHVMY-UHFFFAOYSA-N	305.334	1.431	50	20	DDGD	
Cc1noc2nc(C(C)C)cc(C(=O)NNC(=O)C3CC3)c12	292099197	JFAYUQQMLGFLSN-UHFFFAOYSA-N	302.334	1.826	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)Nc1ccc2c(c1)OCO2	802096548	UWUMFLFZVLTOJK-GMTAPVOTSA-N	319.317	1.136	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)CC2CC2)CCOCC1	294308160	XLQJXZGFFLLMPT-UHFFFAOYSA-N	316.401	1.991	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(-n2ccnc2)nn1)C1CCC1	805230874	CRZLJLDZHWBITN-SNVBAGLBSA-N	301.354	1.477	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cc2ccsc2[nH]1	802024005	CZXZHAGNHCQZRW-UHFFFAOYSA-N	301.331	1.513	50	20	DDGD	
COCCCOc1ccc(C(=O)NNc2ccncn2)cc1	295533676	RPKKNQLQDSDMEB-UHFFFAOYSA-N	302.334	1.649	50	20	DDGD	
O=C(NNC(=O)c1nc(-c2ccccc2)cs1)NC1CC1	801141110	YFLACVZBFKDMFM-UHFFFAOYSA-N	302.359	1.917	50	20	DDGD	
O=C(NNc1ncccc1F)[C@H](O)Cc1ccccc1Cl	804215776	FJKWVBQEHQTMJE-GFCCVEGCSA-N	309.728	1.921	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)c1cccc(OC(F)F)c1)C1CC1	804345781	CXLRAONWKRWGBT-CQSZACIVSA-N	314.288	1.210	50	20	DDGD	
C[C@@H](OC[C@H]1CCCCO1)C(=O)NNC(=O)c1ccccc1	299313423	NCKIWMJOGMMGBY-TZMCWYRMSA-N	306.362	1.422	50	20	DDGD	
CC[C@H](C)[C@@H](CNC(=O)NNC(=O)Cc1ccncc1)OC	297715020	IGOAYTGAKCNUBC-WCQYABFASA-N	308.382	1.016	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)c1Br)NC1CC1	293009623	UHUUKIFIPVSTFK-UHFFFAOYSA-N	316.130	1.695	50	20	DDGD	
C[C@@](O)(C(=O)NNc1ccnc(Br)c1)C1CC1	804564008	ICXMXVPTVGMUPG-NSHDSACASA-N	300.156	1.448	50	20	DDGD	
O=C(CCCNC(=O)c1ccsc1)NNC(=O)CC1CC1	293996911	AEGDUPBJVWUEMU-UHFFFAOYSA-N	309.391	1.206	50	20	DDGD	
O=C1CC[C@]2(C(=O)NNc3cccc(Cl)c3)SCCN12	811890609	WFQIVNIRNFEQFZ-CYBMUJFWSA-N	311.794	1.849	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(S)n1)c1csc(C)n1	812455102	AGGVUPFKBPJUKR-UHFFFAOYSA-N	323.403	1.319	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1COc2ccc(Cl)cc21	814761297	UBKXTTVUMBMKLO-UHFFFAOYSA-N	307.737	1.175	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNc2cc(C)ncn2)cc1	810407542	INAIHWLHWFLDJH-UHFFFAOYSA-N	300.318	1.719	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc(C=O)c[nH]1	814737090	WOMFZVNFPNTMMQ-VIFPVBQESA-N	319.292	1.195	50	20	DDGD	
Cc1nc(C(C)(C)C)nc(O)c1C(=O)NNc1ncncc1F	817078776	UGYVUAOSMNHYJJ-UHFFFAOYSA-N	320.328	1.474	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(OC(F)F)c(F)c1	815122085	GILOPPCTWDFQJU-UHFFFAOYSA-N	305.256	1.781	50	20	DDGD	
CC(C)N(C)C[C@H](C)NC(=O)NNC(=O)Cc1ccccc1F	811931040	QLVAHAAYDLZMBH-LBPRGKRZSA-N	324.400	1.427	50	20	DDGD	
CC(C)C[C@@H](CNC(=O)NNc1nc2ccccn2n1)C(=O)O	818628493	WPMZDWFGDKTPNS-JTQLQIEISA-N	320.353	1.102	50	20	DDGD	
COC(=O)c1ccc(Cl)c(C(=O)NNC(=O)NC(C)C)c1	810593293	XAXPUFNYRMZPAR-UHFFFAOYSA-N	313.741	1.479	50	20	DDGD	
CC(C)[C@H](O)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	813366599	OCNXFVVCMYGCCX-BGCMAFRMSA-N	308.422	1.757	50	20	DDGD	
C=CCC(C)(C)C(=O)NNC(=O)c1cncc(NC(C)=O)c1	827147909	AYBOQTFAQJVXKV-UHFFFAOYSA-N	304.350	1.403	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCN1Cc2ccccc2C1	728596204	BNGUEBDJGFLNMC-UHFFFAOYSA-N	318.421	1.769	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccccc1C(F)F	824527131	KCHNBSBOXZJHBW-QMMMGPOBSA-N	313.304	1.756	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)COc1ccccc1F)C(C)C	491713169	BZTNPVCFRVXJIZ-GFCCVEGCSA-N	307.325	1.193	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)nc1C	827945678	ZGZCTVHWCMNIKH-WOPDTQHZSA-N	318.377	1.841	50	20	DDGD	
CCCN(NC(=O)[C@H](C)CS(C)(=O)=O)C(=O)OC(C)(C)C	495759846	MURQCXMEIJVHDL-SNVBAGLBSA-N	322.427	1.345	50	20	DDGD	
O=C1CCC(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CC1	826479540	AUHIWOFLOLAXJS-UHFFFAOYSA-N	300.322	1.069	50	20	DDGD	
COc1ccc(F)cc1[C@H](C)NCc1cccc(B(O)O)c1	585017174	OFMLRDXHFBWKBI-NSHDSACASA-N	303.142	1.365	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C	495762346	NVFGEBALUZKITJ-SECBINFHSA-N	317.411	1.054	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc(OC(C)C)cc1	901966115	LWIQBFYGNCYQSX-UHFFFAOYSA-N	324.402	1.587	50	20	DDGD	
CCOc1cccc2c1OCC(C(=O)NN(C)C(=O)OC)=C2	496794429	KFWRWUSKLLOPMO-UHFFFAOYSA-N	306.318	1.591	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C	491075518	IPSCGMBWZGLFKX-JTQLQIEISA-N	301.387	1.339	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)C1(c2ccc(F)cc2)CCOCC1	823964918	GDWVOQSFDMFVRU-GFCCVEGCSA-N	310.369	1.218	50	20	DDGD	
O=C(Cc1csc(-c2ccoc2)n1)N1CC[C@H](B(O)O)C1	585068421	AQXKTEGJOYDTNK-JTQLQIEISA-N	306.152	1.021	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C(C)(C)N1CCCCC1	906632263	ORWKMMBJEYIVED-UHFFFAOYSA-N	319.405	1.721	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNC(=S)NCCc1cccs1	820171725	XVLNJLTYJOXVHS-ZDUSSCGKSA-N	310.448	1.726	50	20	DDGD	
O=C(CN1CCOC1=O)NNc1cc(Cl)cc(Cl)c1	822395962	HIRNVEJFNKKJCB-UHFFFAOYSA-N	304.133	1.889	50	20	DDGD	
CC(=O)c1ccccc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	824029282	IPTCPTIKVPBUJR-UHFFFAOYSA-N	322.328	1.826	50	20	DDGD	
C[C@H](CNCc1ccc(B(O)O)cc1F)c1ccc(F)c(F)c1	585027514	VJHMDKBNUYIELK-SNVBAGLBSA-N	323.123	1.677	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NNC(=O)c1ccccc1	495570119	TVNKJNMRAVZPGX-GFCCVEGCSA-N	319.361	1.457	50	20	DDGD	
C[C@@](O)(CNCc1ccccc1B(O)O)c1ccccc1Cl	585036683	OJXYPYUUXVCGIS-MRXNPFEDSA-N	319.597	1.017	50	20	DDGD	
Cc1cnn(CCC(=O)NNc2ccc(Br)nc2)c1	732836038	AXPSMIJLJNQIFH-UHFFFAOYSA-N	324.182	1.882	50	20	DDGD	
O=C(/C=C\[C@H]1CCOC1)NNc1ncc(Br)cn1	493633278	XBJIBZYADGRNET-JQSQLHRZSA-N	313.155	1.275	50	20	DDGD	
COc1ccc(S(=O)(=O)NN(C)C(=O)OC(C)(C)C)cn1	496733552	KQGBNOJDYZIJAM-UHFFFAOYSA-N	317.367	1.150	50	20	DDGD	
C[C@H]1CC(=O)Nc2ccc(C(=O)NNC(=O)C(C)(C)C)cc2N1	906213271	GUJOLDQPYVPWJX-VIFPVBQESA-N	318.377	1.636	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N(CCC(F)(F)F)C1CCC1	584957770	MVSHGZISKKMIMS-UHFFFAOYSA-N	315.100	1.314	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)C12CC3CC(CC(C3)C1)C2	732527900	NUHCJLKUDWCOKR-UHFFFAOYSA-N	312.435	1.740	50	20	DDGD	
CC1(C)C[C@H](NC(=O)NNC(=O)[C@@H]2CCCCO2)C(C)(C)O1	836392608	JVHLIOJANQYVFS-QWRGUYRKSA-N	313.398	1.232	50	20	DDGD	
CC[C@@H](OCCNCc1ccc(B(O)O)o1)c1ccccc1	585045881	NUPVIKOIZHNMKK-OAHLLOKOSA-N	303.167	1.217	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1ccc(F)cc1	732303660	CWXOEBIHINFGIA-UHFFFAOYSA-N	308.334	1.986	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1cncs1	734744046	XUSTZIQMIBPBSQ-LBPRGKRZSA-N	303.343	1.823	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@]1(Cl)C[C@H]2CC[C@H]1O2	905343241	MYUSNGFBKUZGFV-RWYTXXIDSA-N	305.831	1.209	50	20	DDGD	
CCOC1CC(C(=O)NNc2ccc(C(=O)OC)cc2F)C1	837206300	LRZCCWYHEWDLAM-UHFFFAOYSA-N	310.325	1.871	50	20	DDGD	
CCOC(=O)[C@H]1CCCN(CC(=O)NCCSSC)C1	908072968	UXKLFPSXJMUXGL-NSHDSACASA-N	320.480	1.389	50	20	DDGD	
CCCCn1nc(C)c(C=NNC(=O)c2ncon2)c1Cl	901285931	NVDLXPTVIIVANY-UHFFFAOYSA-N	310.745	1.792	50	20	DDGD	
COC(=O)N1CCC[C@H](NC(=O)[C@@]2(C)C[C@H]2Br)C1	906511273	ULZUPYRXHWHOGX-SBMIAAHKSA-N	319.199	1.507	50	20	DDGD	
CN(CCNC(=O)[C@@]1(C)C[C@H]1Br)CC(F)(F)F	906662728	NHZKIBFIFJWAFQ-APPZFPTMSA-N	317.149	1.770	50	20	DDGD	
CCn1cc(C=NNC(=O)CNc2cccc(OC)c2)c(C)n1	901155073	ZPEVUOFIJXTWIW-UHFFFAOYSA-N	315.377	1.782	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@@H](C)CC(=O)O	830260174	WFUMUUUKQSXXAZ-JTQLQIEISA-N	323.418	1.986	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNc1nc(-c2ccccc2)no1	839642212	FNXVYTSONQKVLD-NSHDSACASA-N	317.349	1.327	50	20	DDGD	
CC[C@H]1CCCN1CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	839478151	CZOURSOKZNGICQ-LBPRGKRZSA-N	320.349	1.230	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)c1ccnc(C(=O)O)c1	833148202	DRBHJUHHGCJTNB-UHFFFAOYSA-N	315.314	1.541	50	20	DDGD	
C#CCOc1ccccc1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	831695266	RVSITYQQJJMXTA-RYUDHWBXSA-N	317.345	1.276	50	20	DDGD	
CCS(=O)(=O)CC(C)=NNC(=O)c1c[nH]c2ccccc12	733745722	SIVJYPKPQFXBHX-UHFFFAOYSA-N	307.375	1.708	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NNc2nccc3sccc23)C1	734248638	YHJOAOOSKGZFBO-NSHDSACASA-N	318.402	1.998	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2ccccc2OC)cnn1C	731491081	DQPZELYVADEWMQ-UHFFFAOYSA-N	302.334	1.066	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(Oc2ccccc2)ccn1	910164317	UINHJUFAWFGJIP-GFCCVEGCSA-N	301.346	1.831	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NN=C2CCS(=O)(=O)C2)cc1	912794841	PJHZWEAZGDMSHD-UHFFFAOYSA-N	308.403	1.888	50	20	DDGD	
COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NN)cc1	915139234	WKQPRBHEOWZINK-UHFFFAOYSA-N	303.274	1.999	50	20	DDGD	
CCC(=O)NNC(=S)NCc1ccc(OC(F)(F)F)cc1	742976185	WDYNWTCDWXUZTD-UHFFFAOYSA-N	321.324	1.991	50	20	DDGD	
COCC(C)(C)CNC(=O)NNC(=O)Nc1ccc(OC)cc1	836471429	VQHPLZZOVDHHOH-UHFFFAOYSA-N	324.381	1.704	50	20	DDGD	
Cc1ncc(C=NNC(=O)[C@@H]2COc3ccccc3O2)s1	917534341	HNZCXWVYWNCQOY-ZDUSSCGKSA-N	303.343	1.742	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=CCCc2cnn(C)c2)cc1	834936453	ZOSBSIIPKNAGBG-UHFFFAOYSA-N	313.361	1.402	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)C(C)C)Oc1ccccc1F	748977205	OLNNVXVUJODPSX-LLVKDONJSA-N	311.357	1.970	50	20	DDGD	
COc1ccc(NNC(=O)c2cc3c(cc2O)OCO3)cc1	746883651	SOKQCZDKHUDIHK-UHFFFAOYSA-N	302.286	1.886	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H]2CCCN2c2ncccn2)cc1	748102246	XERSKDOEGRDPSQ-CQSZACIVSA-N	308.345	1.460	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)NCc1nccs1	918219794	TWFPAGYHFGNPAI-UHFFFAOYSA-N	324.337	1.192	50	20	DDGD	
CN(C)C(=O)[C@H](NNC(=O)[C@H]1CCCCO1)c1ccccc1	842150626	IJGAJNUFOLTBNT-ZIAGYGMSSA-N	305.378	1.006	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=CCCc1ccc2c(c1)OCCO2	842551000	BEMFAGOIDRCHMV-JSGCOSHPSA-N	318.373	1.917	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)c1cc([N+](=O)[O-])ccc1O	743059563	JLYFKHZHPPLSIU-SSDOTTSWSA-N	312.351	1.208	50	20	DDGD	
CCOCCOc1ccc(Br)cc1NC(=O)NN	841174901	CDZMMZHZSJLCDF-UHFFFAOYSA-N	318.171	1.860	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccccc2-n2cccn2)n1	740103580	SMEPMUYNGIEJKF-UHFFFAOYSA-N	323.360	1.485	50	20	DDGD	
COc1cc(C=NNC(=O)NCC(F)(F)F)cc(O)c1O	917551899	NGWWIOZHRUNWHK-UHFFFAOYSA-N	307.228	1.302	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C2CCCC2)cc2c1O[C@H](C)C2	914843622	PRSBEVTYOACDIX-SNVBAGLBSA-N	318.373	1.970	50	20	DDGD	
Cc1c(C(=O)NN(C)C[C@@H](C)O)[nH]c2c1C(=O)CC(C)(C)C2	910178393	BICXGLIYYOLVDK-SECBINFHSA-N	307.394	1.436	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@](C)(O)c1cccc(C(F)(F)F)c1	910165420	INJBCAADWQLZSQ-NOZJJQNGSA-N	320.311	1.257	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(C(F)F)cc1F	847098802	OYXCEHDTILJMHK-APPZFPTMSA-N	316.279	1.949	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1ccccc1OC(F)(F)F	847767656	NVXXNPDKCKVURN-HTQZYQBOSA-N	317.267	1.540	50	20	DDGD	
C[C@@H]1OC(=O)N[C@H]1C(=O)NNc1c(Cl)cccc1Cl	841402311	BRCCUIYYJYQQLY-YLWLKBPMSA-N	304.133	1.933	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1c(Cl)cncc1Cl	843970856	MEIQUHBPUBGIHA-BQBZGAKWSA-N	318.160	1.574	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CN2CC(C)(C#N)C2)cc1C	846883607	TXAPJNNPWBFSID-UHFFFAOYSA-N	320.418	1.225	50	20	DDGD	
C[C@H](CC(N)=O)NS(=O)(=O)c1ccc(CCCCl)cc1	742305657	XTHOSGFWCLBZCM-SNVBAGLBSA-N	318.826	1.400	50	20	DDGD	
NC[C@H]1CC[C@H](NC(=O)NNC(=O)CCc2ccccc2)C1	842010799	ODHNTFOLOFPMHP-KBPBESRZSA-N	304.394	1.077	50	20	DDGD	
C[C@@H](CN)NC(=O)NNC(=O)c1cc2c(s1)CCCCC2	841981941	IASJPHRYTSELOI-VIFPVBQESA-N	310.423	1.308	50	20	DDGD	
CC(C)C[C@H](CN)NC(=O)NNC(=O)c1cccc(N(C)C)c1	841953857	LSDBCXNBFJWSMZ-CYBMUJFWSA-N	321.425	1.070	50	20	DDGD	
COc1ccccc1SCC(=O)NN=Cc1cc(C)nn1C	841632379	NRNPCBBNLZCTCG-UHFFFAOYSA-N	318.402	1.980	50	20	DDGD	
O=C(NNC(=O)c1ncccn1)Nc1nc2c(s1)CCCC2	841597260	MRYTWDBLPZNNOA-UHFFFAOYSA-N	318.362	1.278	50	20	DDGD	
O=C(CN1CCSC1=O)NNc1ccc(F)c([N+](=O)[O-])c1	842246988	UWCWKUQVCHWTNU-UHFFFAOYSA-N	314.298	1.346	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1ccccc1F)C(=O)OC(C)(C)C	840333152	QOFGCLYRFDGFMH-JTQLQIEISA-N	324.352	1.493	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@@H](C)c2ccccc2C)n1	929308437	HTQYPLBPLHNBIA-AWEZNQCLSA-N	314.389	1.759	50	20	DDGD	
O=C(NNc1ccccc1OC(F)(F)F)N[C@@H]1COC(=O)C1	923744850	JOXPJMXDDOASLU-ZETCQYMHSA-N	319.239	1.527	50	20	DDGD	
N#CSCCCNC(=O)c1cccc(N2C(=O)CCC2=O)c1	854364090	ZXJULTIDQFWNFK-UHFFFAOYSA-N	317.370	1.674	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)[C@@H]1C	858158692	OXHHAQGFCNGATC-ZAZJYDDPSA-N	319.405	1.573	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2cccnn2)C[C@H]1Br	856898735	FSDQOZOXIBINAI-XCBNKYQSSA-N	300.160	1.276	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](C(C)C)N(C)C)c1C	855625694	DZPAIBZKLWVPIT-CQSZACIVSA-N	307.394	1.811	50	20	DDGD	
COc1ccc(NCC(=O)NN=C2CCCN(C)CC2)cc1	758090001	GBFLQIIVGKQCEX-UHFFFAOYSA-N	304.394	1.695	50	20	DDGD	
CCNC(=O)NN=Cc1cc(O)cc(Br)c1O	755669213	UTAIOESYGALGLO-UHFFFAOYSA-N	302.128	1.513	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)c1ncccc1F	857443007	DSKRCJDNFAVUKO-UHFFFAOYSA-N	303.293	1.451	50	20	DDGD	
CCc1c(C(=O)NNC(=O)NC2CC2)cnn1CCC(C)C	756810976	ALKJJLSFXWKPER-UHFFFAOYSA-N	307.398	1.598	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2ccc(Br)nc2)cn1	756889541	NIYSTDZTOJUYER-UHFFFAOYSA-N	308.139	1.342	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCC[C@@H](CC#N)C1	852086572	VRMYXQMVTZEYPS-LBPRGKRZSA-N	316.361	1.675	50	20	DDGD	
CC(=O)N[C@H](CCC(C)C)C(=O)NNC(=O)c1ccccc1O	856762119	MRXMQXQEYKGBHL-CYBMUJFWSA-N	321.377	1.094	50	20	DDGD	
C[C@H](CO)[C@@H]1CCCCN1C(=O)/C(C#N)=C/c1cnn(C)c1	855467255	RUKFSYTVEHRHQD-PMOLXROHSA-N	302.378	1.337	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)CC[C@@H]1CCOC1	751388516	JFBZCIRWNFDPBR-LLVKDONJSA-N	312.391	1.350	50	20	DDGD	
CC(C[C@@H]1CCOC1)=NNC(=O)c1ccc(-n2cnnn2)cc1	751523114	WNTGRUHRDKMIFZ-LBPRGKRZSA-N	314.349	1.195	50	20	DDGD	
C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)NNC(=O)c1cccc(F)n1	853820914	VZJMJEJVIXATLC-IWIIMEHWSA-N	308.357	1.989	50	20	DDGD	
CCn1cc(C(=O)NNC(=S)Nc2cc(C)ccc2C)nn1	929240825	WJCICTRWNFOFGF-UHFFFAOYSA-N	318.406	1.546	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C[C@H](C)SC)cc1OC	756855096	HAUMNNCELANOKF-VIFPVBQESA-N	312.391	1.606	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)OCC(F)(F)F)c2c1CCCC2	856026407	XSJHOBDRUWDQFX-UHFFFAOYSA-N	320.271	1.232	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	921149192	OQVJILMJWNNVMV-NSHDSACASA-N	322.361	1.446	50	20	DDGD	
O=C(/C=C\c1cccc(O)c1)NNC(=S)NCC1CCC1	855089614	YPTFTUUCOPUJBR-FPLPWBNLSA-N	305.403	1.701	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cccc(Cl)c1O	753167320	YRXUGJWMMUTANT-VIFPVBQESA-N	300.742	1.547	50	20	DDGD	
CCn1ccnc1C=NNC(=O)[C@H](C)CN1CCC(C)CC1	755584104	JCMGEAGRULPHFX-CQSZACIVSA-N	305.426	1.721	50	20	DDGD	
CCn1cc(CC(=O)NNc2cccc(C(=O)OC)c2C)cn1	855625349	OHGMROIXQVCCNM-UHFFFAOYSA-N	316.361	1.684	50	20	DDGD	
CC(C)C[C@@H](C(=O)NNC(=O)Cc1cc[nH]n1)c1ccccc1	755278720	CBBUXONZEOEELB-OAHLLOKOSA-N	314.389	1.930	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H](C)c2csnn2)c1	858542027	HGCGNUPPCNRYJK-ZETCQYMHSA-N	311.392	1.613	50	20	DDGD	
CO[C@@H]1COC[C@@H]1NS(=O)(=O)c1ccc(CCCl)cc1	841551938	CHDYAOQUNATPPL-QWHCGFSZSA-N	319.810	1.160	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)c1cnn(C2CC2)c1	858170584	HHOGFKWMDPQVPQ-UHFFFAOYSA-N	324.344	1.249	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2C[C@@H](C)Cc3c[nH]nc32)nc1	857867574	ZJFUBIWUSMWIGB-CABZTGNLSA-N	301.350	1.623	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)C(C)(C)C1CCOCC1)C1CC1	855097258	MVCNOBUMMRSYKA-JTQLQIEISA-N	313.467	1.733	50	20	DDGD	
CC(C)N1CC[C@H](NC(=O)NNc2ccc(Cl)cn2)C1=O	852133496	FHVRHNBPFAIYFF-JTQLQIEISA-N	311.773	1.370	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2cnn(C)c2N)c1C	757748500	SIFOOOVFZBQNOB-UHFFFAOYSA-N	318.406	1.251	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@](C)(NC(C)=O)C(C)C	932430311	ZSNHBCIIANYGIK-INIZCTEOSA-N	321.377	1.007	50	20	DDGD	
CN1CC[C@H](C(=O)NNC(=O)c2ccncc2)c2ccccc21	750716129	XYETZZTVOSWEIC-AWEZNQCLSA-N	310.357	1.466	50	20	DDGD	
CCSc1ccccc1C(C)=NNC(=O)[C@H]1CCC(=O)N1	863148327	ZKLYBZIVGRNSOM-GFCCVEGCSA-N	305.403	1.917	50	20	DDGD	
COCCCNC(=O)NN=Cc1cn(C)nc1-c1cccs1	769573842	HMSZJGNNRCPTEA-UHFFFAOYSA-N	321.406	1.818	50	20	DDGD	
CC1(C)Cc2cccc(C=NNC(=O)[C@H]3CCC(=O)N3)c2O1	863149135	SDHTZFKTLWLOFV-GFCCVEGCSA-N	301.346	1.129	50	20	DDGD	
COCCCn1cc(C(=O)NNc2cc(F)cc(OC)c2)cn1	860329851	IXPLDYTVIOTCAB-UHFFFAOYSA-N	322.340	1.824	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cccc(-c2nc[nH]n2)c1	768334187	MYQGYWKWWDZIER-UHFFFAOYSA-N	313.239	1.185	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C(C)C)cc1S(C)(=O)=O	765531144	NFDWHKIKQMZGOT-UHFFFAOYSA-N	312.391	1.070	50	20	DDGD	
C=C(CBr)CN1CCO[C@@H](c2ccnn2C)C1	933542267	UHAWPSUPFYPPNN-GFCCVEGCSA-N	300.200	1.745	50	20	DDGD	
COC(=O)c1coc(/C=C/C(=O)NNC(=O)C2CCCC2)c1	864844808	CSXIPLNKPUPRSW-VOTSOKGWSA-N	306.318	1.417	50	20	DDGD	
Cc1cc(=NNC(=O)Nc2cnn(C[C@H]3CCCO3)c2)cc[nH]1	860684911	DICVHNXKIDZHKP-CQSZACIVSA-N	316.365	1.336	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Cc2ccco2)cc1C	764524284	PTNWNSPRIFLLRN-UHFFFAOYSA-N	302.330	1.665	50	20	DDGD	
N#CC1=CCN(C(=O)[C@H]2CCN(C(=O)c3ccccc3)C2)CC1	860501906	DYSHDTNFFKPTQZ-INIZCTEOSA-N	309.369	1.831	50	20	DDGD	
CC(C)(C)SCCCc1nc(-c2cccc(B(O)O)c2)no1	863893257	SBWUSLUCLSPQNL-UHFFFAOYSA-N	320.223	1.881	50	20	DDGD	
COc1ccccc1C(=O)C(=O)NNC(=O)c1cccc(C#N)c1	760571020	PEKPMDOQCQWCHI-UHFFFAOYSA-N	323.308	1.211	50	20	DDGD	
CCOc1ccc(C(=O)NN=Cc2cccnc2N)cc1OC	764662629	NHLKXKLDLSKWKA-UHFFFAOYSA-N	314.345	1.835	50	20	DDGD	
N#Cc1cc(F)c(C(=O)NNc2nncc(N)c2Cl)c(F)c1	1116304199	FRRPVDLUOQRVOC-UHFFFAOYSA-N	324.678	1.619	50	20	DDGD	
CC(C)(C)c1ncc(NC(=O)C(=O)NNc2ccccn2)cn1	1116544576	TVQCIVJAEBNGLD-UHFFFAOYSA-N	314.349	1.251	50	20	DDGD	
CC[C@](C)(NCC(=O)NNC(=O)C(C)C)c1ccc(F)cc1	879127782	AQMPDOAVADDFBA-INIZCTEOSA-N	309.385	1.844	50	20	DDGD	
CSCc1cccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)c1	761064073	UCQLPSDTTKJRSQ-UHFFFAOYSA-N	323.418	1.682	50	20	DDGD	
O=C(CCCOC1CCOCC1)NNc1nccnc1Cl	878856375	CYFXXLGDSBQFMN-UHFFFAOYSA-N	314.773	1.549	50	20	DDGD	
CCC/C(C)=C/C(=O)NNc1nccc(N2CCOCC2)n1	762862559	VUYKFLUSZWUENX-VAWYXSNFSA-N	305.382	1.503	50	20	DDGD	
C=C[C@@H](COC)NC(=O)NNc1ccc2c(=O)[nH]ccc2c1	1117395803	BTEONDFFVMJPLS-NSHDSACASA-N	302.334	1.355	50	20	DDGD	
COCCOCC(=O)NN=Cc1cc2ccccc2nc1O	872403085	ISENZLDCIDUGOH-UHFFFAOYSA-N	303.318	1.054	50	20	DDGD	
COC(=O)[C@@H]1C[C@H](OC)CCN1C[C@H](C)CBr	770669383	VHNXTIDBKTVQSA-MXWKQRLJSA-N	308.216	1.670	50	20	DDGD	
C[C@@H](C(=O)NNc1nnc(-c2ccccn2)s1)n1ccnc1	1116754032	JMYGCJRJCSZJEF-VIFPVBQESA-N	315.362	1.501	50	20	DDGD	
CCCCn1cc(S(=O)(=O)NNC(=O)C2CCC2)c(C)n1	872352463	SLSOFNITXZDSNH-UHFFFAOYSA-N	314.411	1.101	50	20	DDGD	
Cc1nccc(CCC(=O)NNC(=O)c2ccccc2Cl)n1	1117698352	CJPCHBDNKOGTTQ-UHFFFAOYSA-N	318.764	1.832	50	20	DDGD	
CC(=O)c1cccc(OCCCC(=O)NNc2ccn(C)n2)c1	1116837486	HMUDYRNVLKGAEN-UHFFFAOYSA-N	316.361	1.925	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CCc1cnn(C)c1	777771919	MRZMXWTZIIIWAB-UHFFFAOYSA-N	302.334	1.283	50	20	DDGD	
Cc1cc(=NNC(=O)NCCCOC2CCOCC2)cc[nH]1	1119151618	LJXDAWIXIPSUQJ-UHFFFAOYSA-N	308.382	1.024	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCCc2sccc21	772206598	IFEMBKDOYSFMPO-GXSJLCMTSA-N	324.402	1.657	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H]2CC[C@H](C)C2)c1	776429367	UVFUYNKLDFTRNW-JSGCOSHPSA-N	318.373	1.735	50	20	DDGD	
CC[C@@H](COCC(F)(F)F)NS(=O)(=O)CCCCl	882227030	ZBRYFHFONKNLTD-QMMMGPOBSA-N	311.753	1.892	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCC(=O)N1CCc2ccccc2C1	786682029	ZKJGLXNPUNKZGA-CXUHLZMHSA-N	310.353	1.974	50	20	DDGD	
Cc1c[nH]cc(C(=O)NNC(=O)c2ccc3ccccc3c2)c1=O	781419909	VCPRNZUFDLXUGU-UHFFFAOYSA-N	321.336	1.911	50	20	DDGD	
CCc1ccc([C@@H](C)C(=O)NNC(=O)C2CCOCC2)cc1	883062508	GODSGKDUSVMJSU-GFCCVEGCSA-N	304.390	1.927	50	20	DDGD	
N#Cc1cccc(OCC(=O)NNc2ncncc2Cl)c1	781830362	OWSZUGGSHHCJRG-UHFFFAOYSA-N	303.709	1.524	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)NC[C@@H]1C=CCC1	883779749	CWFWAAONHCUXSN-LLVKDONJSA-N	305.334	1.068	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@H](C)O	789940430	YITQXSMWCHCRNO-XOVPDBADSA-N	308.422	1.757	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNC(=S)NC(C)(C)C)nc1	899997391	RJOWOVKWHQIIKT-UHFFFAOYSA-N	324.406	1.166	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](CC)OC1CCCC1	785933372	SWHQUIOOVRGVKJ-PWSUYJOCSA-N	314.382	1.213	50	20	DDGD	
CC(=O)CC(C)(C)CC(=O)NNC(=O)c1ccc2c(c1)OCO2	788491833	IBMNJXPUTCXXAI-UHFFFAOYSA-N	320.345	1.572	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H]2[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)nc1	899660910	DEGMQMUXSFUJED-IBHVXFMWSA-N	306.369	1.790	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1c[nH]nc1-c1ccc2c(c1)OCO2	785018515	DEJLTFBNFPHTCV-UHFFFAOYSA-N	316.317	1.222	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)c1cc(Cl)ccc1O	794901123	DGEYRUOUQPPQHA-DTWKUNHWSA-N	324.764	1.812	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2cccc(F)c2[N+](=O)[O-])CC1=O	790587910	JRMFPDXTENHJBA-QMMMGPOBSA-N	310.285	1.045	50	20	DDGD	
Cc1c(CNC(=O)NNc2cccnn2)cccc1[N+](=O)[O-]	790560551	QUYPNNZNWAZKGA-UHFFFAOYSA-N	302.294	1.520	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1ncc(Cl)n1C	799474335	YRVFTLHIRZZIRJ-NSHDSACASA-N	311.817	1.646	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(N(C)C(C)C)nc1	790159156	BHCMXAQUOCUAOQ-UHFFFAOYSA-N	307.398	1.596	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	796210983	WRSWGYUJMVWSTB-FPMFFAJLSA-N	304.394	1.706	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=O)NCC(F)(F)F	798315111	OCJGGRNGBUOFLP-HRDYMLBCSA-N	310.320	1.140	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2ccc3c[nH]nc3c2)n1	794090151	OPSFYOBXXNAZPX-UHFFFAOYSA-N	309.329	1.270	50	20	DDGD	
CC(C)c1nnc(C(=O)NNc2cc(Cl)nc(N)n2)s1	799632968	RYBYVGLSGXIBDS-UHFFFAOYSA-N	313.774	1.444	50	20	DDGD	
CSSCCNC(=O)c1cccc(NS(C)(=O)=O)c1	791100916	YSEPKHMXWIGPNA-UHFFFAOYSA-N	320.461	1.799	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)NC1CCCC1)N(C)CC(F)(F)F	793256613	XZLLJYBCBSUYAS-QMMMGPOBSA-N	310.320	1.142	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccc2ncccc2c1	798314503	OCVHGRJYAWJPEC-UHFFFAOYSA-N	312.251	1.741	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)Oc2ccccc2)n[nH]1	1319801192	RSLKKKUWOCUASZ-UHFFFAOYSA-N	302.334	1.337	50	20	DDGD	
COc1ccc(NNC(=O)c2ncc(C(N)=O)cc2Cl)cc1	1319843751	YOHOXNIDODLZFB-UHFFFAOYSA-N	320.736	1.599	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cn1cnc2ccccc21)n1cccc1	1319601198	FWAHVFBZYZJQNU-LBPRGKRZSA-N	311.345	1.246	50	20	DDGD	
NC(=O)c1cnc(C(=O)NNc2ccccc2F)c(Cl)c1	1324608164	VAENHNKYBBPSMT-UHFFFAOYSA-N	308.700	1.730	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccn(C2CCCCC2)n1	1326525131	DWCAHBSXYLILMU-UHFFFAOYSA-N	309.370	1.578	50	20	DDGD	
C=C(CC)CNC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1328947872	FJMANZANKXYKKH-JOYOIKCWSA-N	303.200	1.359	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)NC[C@@H]2CCCCO2)cc1	1323052159	KBPUDOZKHNMZTN-ZDUSSCGKSA-N	323.418	1.373	50	20	DDGD	
O=C(NN=Cc1ccc(CO)o1)c1nnc(O)c2ccccc12	1329073421	OVUSPHPDHRJOHN-UHFFFAOYSA-N	312.285	1.185	50	20	DDGD	
CCOC(=O)c1ncc(C(=O)NNC(=O)c2ccc(C)o2)s1	1323698505	KDVBVDBYXPWWRL-UHFFFAOYSA-N	323.330	1.296	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)NC/C=C/C1CC1	1324739155	IIJJTYPQBXBEJM-OWOJBTEDSA-N	307.325	1.501	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)/C=C\c2cnccc2C)cc1	1320042790	DOCPUXJVOBTPFF-YVMONPNESA-N	311.341	1.873	50	20	DDGD	
C=C[C@](C)(CCOC)C(=O)NNc1ccc(-n2ccnc2)nn1	1322812997	WZCKTOXEXLEVCY-OAHLLOKOSA-N	316.365	1.334	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1ccc(O)cc1O	1320793430	UGBKYNNJQWHMHZ-UHFFFAOYSA-N	320.276	1.077	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2cnc(N(C)C)nc2)CC1	1327801187	GOEGFOCOMKXUMH-UHFFFAOYSA-N	318.425	1.115	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)C1CCNCC1)c1ccccc1	1325298709	PJSMSGXTLKTWAX-CYBMUJFWSA-N	318.421	1.510	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(N2CCCC2=O)c(C)c1	1337058005	SCLHXVFDRARWSP-UHFFFAOYSA-N	320.349	1.904	50	20	DDGD	
CC(C)(C=NNC(=O)Cn1ccc2ccccc21)S(C)(=O)=O	1253647306	XNHCKSBCAZHYRW-UHFFFAOYSA-N	321.402	1.567	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](C(=O)NNc2nncc(N)c2Cl)C1(C)C	1338556240	WNBRDGSFHGCEFP-JGVFFNPUSA-N	311.773	1.407	50	20	DDGD	
C[C@@H](CNC(=O)c1cccc(CCl)c1)N1CCN(C)CC1	1337128109	VDEATFGQOQBZDN-ZDUSSCGKSA-N	309.841	1.791	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NC[C@@H]1C[C@H]2C=C[C@H]1C2	1335151716	XOYIDTXBUWGQAM-IHRRRGAJSA-N	317.364	1.911	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@]2(F)CCOC2)cc1F	1330806022	UJLSSLIQNQPIME-ZDUSSCGKSA-N	300.261	1.184	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1ccc(F)cc1OC(F)F	1330808924	NELRXFHHLHFXJM-UHFFFAOYSA-N	304.224	1.440	50	20	DDGD	
CSCc1cccnc1C(=O)NNc1nncc(N)c1Cl	1343535370	VDLSSTYYPKEVHM-UHFFFAOYSA-N	324.797	1.727	50	20	DDGD	
CN[C@@H](C)CCNC(=O)NNc1cccc(C(=O)OC)c1F	1348560574	GELVXGXRUJMKKR-VIFPVBQESA-N	312.345	1.236	50	20	DDGD	
C[C@H]1CNc2c(C(=O)NNc3ccc(F)cc3F)cnn2C1	1346700430	NHUKPRFNGXYQGT-QMMMGPOBSA-N	307.304	1.980	50	20	DDGD	
CC[C@@H](C)n1nccc1C(=O)NNC(=O)NCC(F)(F)F	1349810976	WYZJBFPMOLLGSG-SSDOTTSWSA-N	307.276	1.360	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C1(c2cccc(C#N)c2)CC1	1340781815	USXQGDUZUMZABV-UHFFFAOYSA-N	309.329	1.083	50	20	DDGD	
CCCNC(=O)[C@H](C)NC(=O)NNc1ncnc2ccsc12	1357682530	RKFBWJOZDMYNPL-QMMMGPOBSA-N	322.394	1.232	50	20	DDGD	
CN1CC[C@H](C(=O)OC[C@@]2(C)C[C@@H]2Br)CC1=O	1526044086	GJYOGDFGWWNWBC-HOTUBEGUSA-N	304.184	1.572	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(CC(=O)O)cc2)cn1	1607206112	GYVMUFNALROECZ-UHFFFAOYSA-N	301.302	1.474	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCc2c(-c3nn[nH]n3)cccc21	1604414701	XDTZVLVDFITROE-MDZDMXLPSA-N	310.317	1.200	50	20	DDGD	
CCN(CC)CCNC(=O)NNc1ccc(C(=O)O)cc1F	1609999521	HNZXPYMBDQNMBI-UHFFFAOYSA-N	312.345	1.492	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)c1ccnc(CO)c1	1601559986	JOUIPDUYZPAQKC-UHFFFAOYSA-N	305.265	1.168	50	20	DDGD	
O=C(NNc1ccccc1F)C(=O)Nc1ccccc1C(=O)O	1605815672	PHGUPTSWBRXFAH-UHFFFAOYSA-N	317.276	1.606	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(Cl)cc(C(=O)O)c1	1605618997	RNSOSUARXANZNR-UHFFFAOYSA-N	315.713	1.227	50	20	DDGD	
Cn1cc(C#N)c(NC(=O)NNc2ccc(CC(=O)O)cc2)n1	1600927287	AIXUDXGBOYOPST-UHFFFAOYSA-N	314.305	1.067	50	20	DDGD	
Cc1c(NNC(=O)[C@@H](NC(N)=O)C(C)(C)C)cccc1C(=O)O	1600051201	QRVBGGNFCKSDAT-LLVKDONJSA-N	322.365	1.219	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ccc2[nH]nc(C(=O)O)c2c1	1608477668	NBAWEWTZQVKWBK-UHFFFAOYSA-N	317.305	1.214	50	20	DDGD	
Cc1nnc(O)c(C(=O)NNc2ccc(CC(=O)O)cc2)c1C	1600667364	CAIVSKDCNJFEEA-UHFFFAOYSA-N	316.317	1.183	50	20	DDGD	
CO[C@](C)(CNC(=O)NNc1ccc(CC(=O)O)cc1)C1CC1	1606658577	QXKXOPSVGHLOCF-MRXNPFEDSA-N	321.377	1.755	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(C)c(C(=O)O)o2)cc1O	1607732265	VGTFNDMOIOGRGE-UHFFFAOYSA-N	318.285	1.375	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2nc3ccncc3s2)o1	1602324139	AZRPLIXFKFKRJG-UHFFFAOYSA-N	304.287	1.739	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1cncc(C)c1	1549319214	GVFIVLQZCWFXLS-LSDHHAIUSA-N	302.378	1.093	50	20	DDGD	
O=C(NN=Cc1ccc(C(F)F)nc1)[C@@H]1CN2CCC[C@H]2CO1	1549905975	WLPCLSZKJURRRR-AAEUAGOBSA-N	324.331	1.333	50	20	DDGD	
CCc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)s1	1549314954	AGKHCPJUVDMZLI-FZMZJTMJSA-N	307.419	1.624	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@H]1C(=O)NN=Cc1ccco1	1549309114	LABZVBWOXTYBLU-OLZOCXBDSA-N	302.334	1.631	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C[C@H]1CCCO[C@@H]1c1nccn1C	1552452073	ASGMBORGWUKVDI-CRWXNKLISA-N	320.393	1.415	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@@H]2C=NNC(=O)c2cccn2C)cn1	1552455166	XBQAVFXOTKLZEH-IUODEOHRSA-N	315.377	1.735	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@H]1CC[C@H]1C(=O)O	1574534590	LAUGFQCYPXSMIS-WDEREUQCSA-N	310.737	1.141	50	20	DDGD	
C[C@H](NNC(=O)C1CC2(C1)C[C@H](N)CCS2)C(F)(F)F	1576252252	OYEGWFYTEJMPAW-PRXWZZOHSA-N	311.373	1.561	50	20	DDGD	
CCOCc1nc(Cl)cc(NNC(=O)CC2CC(N)C2)n1	1578126941	HWQHCMFMKGORPH-UHFFFAOYSA-N	313.789	1.237	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@H]1C[C@@]12CCNC2	1574302164	BGHKZJJAYXSZPA-SWLSCSKDSA-N	307.781	1.030	50	20	DDGD	
C#CCN(CC(=O)O)C(=O)/C(C#N)=C/c1ccc(OCC)cc1	1588397704	RFTKDRJERYIFAU-GXDHUFHOSA-N	312.325	1.539	50	20	DDGD	
NC[C@@H]1C[C@@H]1C(=O)NNC(=O)c1c(Cl)cccc1Cl	1580323811	HUMRDLSVMIFABL-BQBZGAKWSA-N	302.161	1.349	50	20	DDGD	
NCCCCCC(=O)NNC(=O)CCc1cccc([N+](=O)[O-])c1	1580292822	SXIWUWAAKXNDEA-UHFFFAOYSA-N	322.365	1.194	50	20	DDGD	
CC(C)=CCCNC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1589377488	QJHIUPUUQWUSAZ-UHFFFAOYSA-N	302.342	1.244	50	20	DDGD	
O=C(NN=Cc1ccc(F)nc1)c1ccc(-c2nn[nH]n2)cc1	1593155029	VUTQFDNIFSVLIT-UHFFFAOYSA-N	311.280	1.165	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C23CC(C(=O)O)(C2)C3)ccc1F	1598948955	MKNCKKRGLGNSCD-UHFFFAOYSA-N	322.292	1.310	50	20	DDGD	
CC[C@@H](NNC(=O)C(=O)O)c1ccc(Br)cc1	1595305846	NWMMRWPKTKCQTG-SECBINFHSA-N	301.140	1.606	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H](C(=O)O)C(C)(C)C)ccc1C	1593882818	ZTOFMOVBJGPAGH-GFCCVEGCSA-N	322.361	1.972	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2ccoc2CC(=O)O)nn1	1590492958	HMATUZATOOLOBN-UHFFFAOYSA-N	318.333	1.751	50	20	DDGD	
O=C(NCCC1CCCC1)NNc1ccc(-c2nn[nH]n2)cn1	1593065768	ZDVSZMMKSZGCIR-UHFFFAOYSA-N	316.369	1.468	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)c1cnccc1-c1nn[nH]n1	1592173336	LNZCPFXQINCVSI-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
CCC(=O)NN=C1C[C@H](C(=O)O)CN(C(=O)OC(C)(C)C)C1	1594712433	LLUXLNQLSARCOU-VIFPVBQESA-N	313.354	1.210	50	20	DDGD	
O=S(=O)(CCCCl)Oc1cc(F)cc(-c2nn[nH]n2)c1	1593418471	FBHKQFYGNMAKRT-UHFFFAOYSA-N	320.733	1.343	50	20	DDGD	
Cc1cc(CC(=O)NN=C2CCc3cccc(C(=O)O)c32)n[nH]1	1776028628	QTQZBQCDKKYOIZ-UHFFFAOYSA-N	312.329	1.426	50	20	DDGD	
COc1ccccc1C(=O)/C(C#N)=C/c1c(C(=O)O)cnn1C	1777386472	MQVZQCBCXXJTIO-JXMROGBWSA-N	311.297	1.917	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)nn1	1776130517	PWRAMZYDZSLODA-DHZHZOJOSA-N	324.296	1.729	50	20	DDGD	
O=C(NNC(=O)c1cccnc1Cl)c1ccc2c(c1)OCO2	15793630	DIPRLKZTBBOIQT-UHFFFAOYSA-N	319.704	1.539	50	20	DDGD	
CC(C)(NS(C)(=O)=O)C(=O)NNc1ccccc1Cl	158202379	URCIOOGYGQGUHC-UHFFFAOYSA-N	305.787	1.111	50	20	DDGD	
O=C(CCn1cc([N+](=O)[O-])cn1)NNc1ccccc1Cl	158336507	MAQAXNZTPXTEQC-UHFFFAOYSA-N	309.713	1.978	50	20	DDGD	
Cc1nc(CC(=O)NNC(=O)Cc2cccnc2)c(C)s1	163382892	WZHDLTAIOYPONR-UHFFFAOYSA-N	304.375	1.088	50	20	DDGD	
C[C@H]1CCC[C@H](CC(=O)NNC(=O)C(=O)Nc2ccccn2)C1	152098607	DLEOWEMBMYPKCQ-RYUDHWBXSA-N	318.377	1.384	50	20	DDGD	
COc1c(F)ccc(F)c1C(=O)NNC(=O)c1c[nH]nc1C	152823271	AYZQEHXVMWNYEO-UHFFFAOYSA-N	310.260	1.080	50	20	DDGD	
O=C(Cc1csc(-c2ccoc2)n1)NNC(=O)[C@@H]1CCCO1	156154020	QTGRLCUZJAIBJM-NSHDSACASA-N	321.358	1.272	50	20	DDGD	
O=C(CCNC(=O)c1ccco1)NNc1ccncc1Cl	154499649	YOGJCMPTYLUHOK-UHFFFAOYSA-N	308.725	1.591	50	20	DDGD	
CSCC[C@H](O)C(=O)N(C)NC(=O)OCc1ccccc1	862290538	ZEARMSHPAYBANP-LBPRGKRZSA-N	312.391	1.400	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNC(=O)CNc1ccc(C)cc1C	7698207	LUEMHHMSIKDVAT-UKTHLTGXSA-N	316.361	1.307	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CN1CCSC1=O	58865040	SQMVRRMUPSDDHY-UHFFFAOYSA-N	308.363	1.317	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CCc1nc(-c2ccsc2)no1	21972447	JXVGESYERVLQHV-UHFFFAOYSA-N	322.390	1.924	50	20	DDGD	
COc1cc(CC(=O)NNC(=O)c2cccc(C#N)c2)ccc1C	103402698	NQYRPCGSTJICKO-UHFFFAOYSA-N	323.352	1.879	50	20	DDGD	
C[C@@H]1CCC[C@H]1NC(=O)NNc1ccc(-n2cccn2)nn1	105311704	ARJRAJOAIPNOMY-GHMZBOCLSA-N	301.354	1.477	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNC(=O)CNc1ccc(C)cc1	104139354	HBWQKESJYBGPPM-HNNXBMFYSA-N	318.421	1.429	50	20	DDGD	
CCCNC(=O)NNC(=O)C(C)(C)NC(=O)OC(C)(C)C	67238022	HIQJOERWHJVEAV-UHFFFAOYSA-N	302.375	1.030	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccc(NC(=O)CC)c1	119927991	FPCYKFOAZRDXRF-UHFFFAOYSA-N	306.391	1.330	50	20	DDGD	
O=C(NCC1CC1)NNC(=S)NCCSc1ccccc1	64937140	VOGONIJFNYENIU-UHFFFAOYSA-N	324.475	1.867	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cnc(Cl)cc2C)n1	119120326	IMFZMYQXPVWNEF-UHFFFAOYSA-N	308.729	1.991	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1cccc(CS(C)(=O)=O)c1C	172265603	CDGYAPDDLRJGTH-UKTHLTGXSA-N	322.386	1.922	50	20	DDGD	
Cn1ccc(C(=O)NNc2cccc(Br)c2)cc1=O	119270571	CJEIHWATLDXOBP-UHFFFAOYSA-N	322.162	1.905	50	20	DDGD	
CCC(=O)N1CCC(=NNC(=O)CNc2ccc(C)cc2)CC1	64306111	FPSKBYBYCRMOQG-UHFFFAOYSA-N	316.405	1.912	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1csc(-c2cnccn2)n1	171482325	ZXOGVDVYUDMQML-UHFFFAOYSA-N	319.390	1.797	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=O)CSc1ccccc1OC	184921945	VYIKFVAAZKCUTJ-UHFFFAOYSA-N	320.414	1.984	50	20	DDGD	
COCCCOCC(=O)NNC(=O)c1cc2ccccc2o1	181205885	BGOBADMYZKFIJI-UHFFFAOYSA-N	306.318	1.247	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1cc(Cl)c[nH]1	73314773	GCRLBGYDJPRVFQ-UHFFFAOYSA-N	322.752	1.550	50	20	DDGD	
Cc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)CC(C)(C)C	126122357	MAFDRNHYXDRRKA-UHFFFAOYSA-N	316.361	1.389	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c(OC)c1	70854560	JHGXFILXUZEKOG-RTXFEEFZSA-N	320.345	1.032	50	20	DDGD	
CC[C@H]1C[C@@H](C(=O)NNC(=O)CNc2ccccc2)CCO1	182943089	SBPUBUVHLLWYFX-JSGCOSHPSA-N	305.378	1.451	50	20	DDGD	
O=C(COc1cccc([N+](=O)[O-])c1)NNc1ncc(F)cn1	122655725	JECSONGNNSKMGK-UHFFFAOYSA-N	307.241	1.046	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)NC2CCCC2)cc1C	79009759	NNUYOXLVHKTYMA-UHFFFAOYSA-N	318.377	1.515	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C(C)(C)C)c1ccc2c(c1)CC(=O)N2	193370791	BDXIKEUPZSDODW-SECBINFHSA-N	318.377	1.619	50	20	DDGD	
CN(C)C(=O)COc1ccccc1/C=C(\C#N)C(=O)NC1CC1	194334942	AEJXGXJPUCJZQN-UKTHLTGXSA-N	313.357	1.339	50	20	DDGD	
CC(=O)NNC(=O)[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1	193468296	CPNWQJVEUURESU-CQSZACIVSA-N	317.389	1.323	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NNC(=O)NCc1ccc(Cl)cc1	191608667	FCYBOXFNWILGHS-NEPJUHHUSA-N	311.769	1.595	50	20	DDGD	
CN(CC(=O)NNc1nc2ccccc2c(=O)[nH]1)c1ccccc1	137134534	KBQGUNRUJIHLBV-UHFFFAOYSA-N	323.356	1.503	50	20	DDGD	
CCCOCC(=O)NNc1cc(CC)nc(-c2ccccn2)n1	131315859	UKQKDCZOOAVSLI-UHFFFAOYSA-N	315.377	1.971	50	20	DDGD	
COc1ccccc1CC(=O)NNc1nc2ccccc2c(=O)[nH]1	137193907	KBPLXLFKCFHNSC-UHFFFAOYSA-N	324.340	1.618	50	20	DDGD	
C/C(=C\c1cnn(CCCl)c1)c1nc(C)c(C#N)c(=O)[nH]1	193614391	OFXSPJNIDLVMCS-WEVVVXLNSA-N	303.753	1.946	50	20	DDGD	
Cc1cc(O)cc(=O)n1CC(=O)NNc1ccc(F)cc1F	133653272	RRHBXOLQUVTMMI-UHFFFAOYSA-N	309.272	1.284	50	20	DDGD	
CCCCN1C(=O)CC[C@@H](C(=O)NN)[C@H]1c1ccccc1OC	195519554	WBWRJLURKSFOOJ-CZUORRHYSA-N	319.405	1.765	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)N[C@@H]1C=C[C@H](CO)C1	81507380	QQHOXVATJPKDJB-LSDHHAIUSA-N	317.389	1.277	50	20	DDGD	
CCc1cnc(NC(=O)C(=O)NNC(=O)CC2CCCC2)s1	190718557	HSQVTEMDXKMIGX-UHFFFAOYSA-N	324.406	1.372	50	20	DDGD	
CC(C)(C)n1nccc1NC(=O)NNc1cc(Cl)nc(N)n1	190465095	CHMWQHZPSFNEBV-UHFFFAOYSA-N	324.776	1.812	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C(F)(F)C(F)F)c1	267231503	ZMOSTDDFPWYFLN-UHFFFAOYSA-N	322.258	1.730	50	20	DDGD	
CCC[C@@H](O)CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	268621033	PYYJPVJOWPWYIZ-MRHLJLSQSA-N	300.362	1.389	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)C1CCOCC1	264839004	UVBQORSGESZWCB-UHFFFAOYSA-N	311.769	1.597	50	20	DDGD	
CCC(=O)N[C@H](CCSC)C(=O)NNc1ccc(C#N)cc1	269579490	IPWMQJTUCNWPEX-CYBMUJFWSA-N	320.418	1.649	50	20	DDGD	
O=C(NNC(=O)c1nc(Br)cs1)NC1CC1	275426114	UFVRXEYRWMWJFO-UHFFFAOYSA-N	305.157	1.012	50	20	DDGD	
CC(C)(CCCO)CNC(=O)NNC(=O)c1ccccc1O	271868377	ZHLVZCDNWGRLFP-UHFFFAOYSA-N	309.366	1.135	50	20	DDGD	
CC[C@@H](C(=O)NNc1cccc(C(=O)OC)c1)N1CCCC1=O	272777337	FBBLXNRXEPNSIT-ZDUSSCGKSA-N	319.361	1.317	50	20	DDGD	
CC[C@@H]1C[C@@H](CC(=O)NNC(=O)Cn2nc(C)cc2C)CCO1	272988585	SKACAZYKMALQFH-UONOGXRCSA-N	322.409	1.243	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)[C@@H]1CCCCS1(=O)=O	274755386	IOLMFVRJBDYMPJ-NSHDSACASA-N	300.355	1.545	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H]2CCO[C@@H](C(C)C)C2)nc1	275834902	BOZZONIFQTYHPG-WCQYABFASA-N	308.382	1.920	50	20	DDGD	
COC(=O)NNC(=O)[C@H](c1ccccc1)N1CCSCC1	274308263	SQGSZSHYHDKOAE-LBPRGKRZSA-N	309.391	1.164	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@@H]1COCCN1C1CCCC1	376721251	CILWNEGWWAFFAK-ZDUSSCGKSA-N	311.426	1.213	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H]2CCCCN2C(C)=O)c1	285640284	BKJRUTWTAIDOHN-AWEZNQCLSA-N	309.341	1.678	50	20	DDGD	
COC(=O)N(C)NC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C	286171586	BUBJLTFQQJEFIX-UHFFFAOYSA-N	311.338	1.540	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCCC1(O)CCC1)c1ccccc1	284905346	MHNOJIZPQYRSFP-AWEZNQCLSA-N	319.405	1.816	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2cnnn2C)cc1	809138080	JSXKKRMRKWRCOG-JYRVWZFOSA-N	312.329	1.864	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)Nc1ccc2c(c1)OCO2)C1CC1	802092812	DIDSMCXPOFLHHB-TWGQIWQCSA-N	303.318	1.924	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2cccc(F)c2[N+](=O)[O-])n1	294417058	WRVFCSLSXQTCGH-UHFFFAOYSA-N	308.273	1.411	50	20	DDGD	
CN(C)CCCCC(=O)NNC(=O)Nc1cc(F)cc(F)c1	802006873	RREWOQDYNHLOCH-UHFFFAOYSA-N	314.336	1.849	50	20	DDGD	
CNC(=O)CCCC(=O)NNc1cc(C(F)(F)F)ccn1	295779985	XXLNOFCHBOPOHV-UHFFFAOYSA-N	304.272	1.460	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H]1CCCC12OCCO2	807194737	IGSBMLKLXDWYHK-LBPRGKRZSA-N	320.345	1.460	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2cccc(C#N)n2)c1	809934661	ATHIFOCXYPTHBM-UHFFFAOYSA-N	309.329	1.094	50	20	DDGD	
Cc1cccc(C(=O)N[C@H](C)C(=O)NNC(=O)CC(C)C)c1	298455683	WZDKXLJXUCNQQB-GFCCVEGCSA-N	305.378	1.307	50	20	DDGD	
CCO[C@@H](CNC(=O)NNc1ccncn1)c1ccccc1	297109116	YMSFPXSXOHRGEU-ZDUSSCGKSA-N	301.350	1.881	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ocnc1C1CC1	291720216	QXENNKGNWYKVDA-UHFFFAOYSA-N	300.409	1.024	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cc2c(nc1O)CCCCC2	294056312	GBROOLZMZKKNDL-UHFFFAOYSA-N	303.362	1.617	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=O)COc2cccc(C)c2)o1	292314416	LRGVMVHEGDEGAK-UHFFFAOYSA-N	317.345	1.694	50	20	DDGD	
COc1nccc(NC(=O)NNc2cccc(F)c2[N+](=O)[O-])n1	801726490	GEPNPYNFGCLAOO-UHFFFAOYSA-N	322.256	1.681	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)[C@@H]1CCCO1)c1c[nH]c2ccccc12	292240081	WRTTXSBDLNBCLG-ABAIWWIYSA-N	315.373	1.988	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)[C@H]2CSCCS2)c1	293878939	IIEBQHUMACELPL-GFCCVEGCSA-N	311.432	1.937	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)C=C2CCC(C)(C)CC2)CC1	819721134	MPRSEJALBRHZLP-UHFFFAOYSA-N	308.426	1.501	50	20	DDGD	
O=C(NNc1ncccn1)C1CCN([C@@H]2CCSC2)CC1	816849140	RWPDFDYFGSEJRE-GFCCVEGCSA-N	307.423	1.137	50	20	DDGD	
CC(C)(C)OC(=O)N1[C@H](C(=O)NNc2cnccn2)C[C@H]2C[C@H]21	816173533	JAFHCOBGZLMHMH-MXWKQRLJSA-N	319.365	1.318	50	20	DDGD	
O=C(NCC(Cl)Cl)[C@H]1CC(=O)N(CC(F)(F)F)C1	819794091	JTJAIAAVCICKNO-YFKPBYRVSA-N	307.099	1.317	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)Cn2cc(C)cn2)cc1C	812723552	HRGXGJSRIVDJJT-UHFFFAOYSA-N	316.361	1.820	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CCc1ccon1	816817466	CGPFALPHQXBUDJ-JTQLQIEISA-N	321.308	1.361	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc(N2CCOCC2)c(F)c1	819123188	SZUKXPBJVPMVCT-UHFFFAOYSA-N	321.352	1.223	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)c2cc(F)c[nH]2)cc1	816597863	ILBDZJFRRNNGOE-UHFFFAOYSA-N	305.313	1.686	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=O)c2ccccc2F)C1	816814535	UNKDGFAFAOSFDP-BXKDBHETSA-N	316.336	1.676	50	20	DDGD	
CCCC(=NNC(=O)CNC(=O)c1ccco1)c1cccnc1	814826830	JBLABOMPYQLJEF-UHFFFAOYSA-N	314.345	1.725	50	20	DDGD	
CCn1cc(C=NNC(=O)Nc2ccc3c(c2)OCO3)cn1	814992547	HRRONLBFNMHDIQ-UHFFFAOYSA-N	301.306	1.787	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1ccc(S(N)(=O)=O)cc1	819842593	BLRYYGAWCLYIBG-UHFFFAOYSA-N	311.190	1.210	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2ncccc2O)c1	725878462	XMEFETGUQANDED-UHFFFAOYSA-N	315.329	1.244	50	20	DDGD	
O=C1CC(C(=O)NNC(=O)Cc2ccncc2)(c2ccccc2)C1	810467949	HVNOTDOATJRIDU-UHFFFAOYSA-N	323.352	1.072	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@H]1CCc2nncn2C1	815971413	CSGLRZUEMFZDBT-ZDUSSCGKSA-N	322.372	1.840	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cc(N)nc(Cl)c1	726768004	HNURFMIJBNCDJZ-UHFFFAOYSA-N	304.737	1.700	50	20	DDGD	
Cc1noc2nc(C(C)C)cc(C(=O)NN(C)C[C@@H](C)O)c12	821216979	CCMZVKBLAMBPPK-SECBINFHSA-N	306.366	1.612	50	20	DDGD	
CCS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)OC)c1	495366776	IFQSDNDIKDVWJF-UHFFFAOYSA-N	320.754	1.134	50	20	DDGD	
C[C@H](CBr)CN1CCC2(CC1)CNC(=O)N2C	823649416	DJMFIVIWKKYSAK-SNVBAGLBSA-N	304.232	1.507	50	20	DDGD	
CCO[C@@H]1C[C@@H](N(C)CC(=O)NNC(=O)C(C)C)C12CCC2	828058770	FDJOARXJDGPDPC-CHWSQXEVSA-N	311.426	1.069	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@@H]1CCCC(F)(F)C1	826710164	HHGDVZIEGLCJKZ-HBNTYKKESA-N	319.352	1.567	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)nn1C(C)C	822212364	NUDOMYYCLDKYEK-UHFFFAOYSA-N	318.352	1.915	50	20	DDGD	
C[C@H](C#N)Oc1ccc(C=NNC(=O)C(=O)N2CCCC2)cc1	727685014	VPFSVCUPXIRMQO-GFCCVEGCSA-N	314.345	1.050	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C[C@]2(C)CC2(Cl)Cl)cn1	825909704	GMXGAOGZJLXFCZ-SNVBAGLBSA-N	305.165	1.155	50	20	DDGD	
COCC(=O)N1CCc2cc(NC(=O)NN(C)C3CC3)ccc21	824298273	FJVPMAPUVUZZGY-UHFFFAOYSA-N	318.377	1.353	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1nc(C(C)(C)C)cs1	497271551	KBSAXXHPIPFGOO-UHFFFAOYSA-N	314.367	1.156	50	20	DDGD	
C#CCNC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1ccc(OC)cc1	822629298	FBCBXLFKWWGFLP-GVIGZQTCSA-N	312.325	1.283	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCC1	823917259	GLHIMHBXTQLXFE-CMPLNLGQSA-N	315.414	1.024	50	20	DDGD	
CC(Cc1cccs1)=NNC(=O)[C@H]1CCS(=O)(=O)C1	729635471	VXFODMXLMPKDCQ-JTQLQIEISA-N	300.405	1.217	50	20	DDGD	
C[C@@H](CC(=O)Nc1cccc(B(O)O)c1)N1CCc2ccccc21	584912881	WZXREUBTVYQLEV-ZDUSSCGKSA-N	324.189	1.146	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@@H]1CCN(c2ccccc2)C1	825505178	DBUXNZAYAGZAJS-SNVBAGLBSA-N	315.295	1.613	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC(c2ccccc2)CC1	827323684	OJNUANLFPRCXOW-UHFFFAOYSA-N	303.406	1.669	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cccn1Cc1ccncc1	732086906	NXVIHTJIBSBQMA-UHFFFAOYSA-N	324.344	1.038	50	20	DDGD	
CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1cccc(O)c1	735451147	QERNAXUYAZGJET-UHFFFAOYSA-N	322.328	1.726	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCCc1ccc(C)cc1C	731278655	ISAOFOKYMCZXFR-UHFFFAOYSA-N	307.394	1.603	50	20	DDGD	
Cc1cccc(C[C@@H](CO)NC(=O)/C(C#N)=C\c2cnn(C)c2)c1	491177159	UTCUATNGMPBSDX-UGIZUQJLSA-N	324.384	1.355	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CC2CCOCC2)cc1OC	735246424	VPGFPEFYMUZQSJ-UHFFFAOYSA-N	322.361	1.282	50	20	DDGD	
Cn1nncc1/C=C(/C#N)C(=O)NCc1ccc(F)c(F)c1	490701736	XUQFPFGLXGDSMD-YHYXMXQVSA-N	303.272	1.317	50	20	DDGD	
CCc1cccc(OCC(=O)NNC(=O)[C@H]2CCCCO2)c1	833262254	VEBHSHPGLYZPNL-CQSZACIVSA-N	306.362	1.344	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc[nH]1	495898674	WGMZITHOVLQVQB-LBPRGKRZSA-N	304.350	1.381	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNC(=O)Cc2ccccc2OC)C1	838748807	NPXJJGVEKCOQFQ-BETUJISGSA-N	321.377	1.136	50	20	DDGD	
O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1cccc(B(O)O)c1	584926559	SGGQORBTMJOVMB-XJKCOSOUSA-N	301.195	1.455	50	20	DDGD	
O=C(/C=C/c1ccccc1OCc1ccccc1)NCB(O)O	585068279	ZNZCZFSJJMVKEP-ZHACJKMWSA-N	311.146	1.407	50	20	DDGD	
CCSCC[C@@H](C)N(C)C(=O)c1cc(B(O)O)ccc1F	584953857	HEYJRGWEIQOTTF-SNVBAGLBSA-N	313.203	1.109	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H](CC(C)C)C(N)=O	839764530	DFJHGVDYWZWELT-NSHDSACASA-N	308.338	1.494	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ccc(Cl)cc2)CCC1	839708447	JKMSPOJVPQTENK-UHFFFAOYSA-N	302.783	1.750	50	20	DDGD	
CC(C)c1ncsc1NC(=O)NNC(=O)Cc1cc[nH]n1	836743401	RFDXVLBTDSCEDI-UHFFFAOYSA-N	308.367	1.385	50	20	DDGD	
CC(C)(CO)CCCNC(=O)NNc1cccc(C(=O)O)c1	833461511	BHXALQBKSXJSER-UHFFFAOYSA-N	309.366	1.810	50	20	DDGD	
C[C@H]([C@H]1Cc2ccccc21)N(C)C(=O)c1cccc(B(O)O)c1	585008660	LHHDRTRANXXIBV-SJKOYZFVSA-N	309.174	1.167	50	20	DDGD	
COC(=O)c1ccc(CNC(=O)NNC(=O)c2ccccc2)o1	734162840	QZZUEYQLWWZXLL-UHFFFAOYSA-N	317.301	1.210	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2cccnc2OC(C)C)nn1	730023400	QMCNUACMPNRETA-UHFFFAOYSA-N	316.365	1.794	50	20	DDGD	
CC(C)[C@@H]1C[C@H](CC(=O)NNC(=O)[C@H]2CCCCO2)CCO1	833243763	XGMHZFYVRJCVJR-MCIONIFRSA-N	312.410	1.544	50	20	DDGD	
Cc1ccc([C@H]2CCCN2CC(=O)NNC(=O)C2CC2)cc1	733193595	YZJDSQNUZNQQOD-OAHLLOKOSA-N	301.390	1.689	50	20	DDGD	
C[C@@H]1CN(C[C@@H]2CCCN2S(=O)(=O)CCl)C[C@@H](C)O1	830191256	ZJAFZGDBNDWXTR-UTUOFQBUSA-N	310.847	1.086	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@]1(C)C[C@H]1Br	905240102	ZMXKFPLKNAYIJO-MFKMUULPSA-N	311.179	1.930	50	20	DDGD	
OB(O)c1ccccc1CNCCSCc1ccccc1F	585016554	QEGOOYHFSGALLG-UHFFFAOYSA-N	319.210	1.529	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)CCc2ccccc2O)nc1	730032563	VMEGAMGJTJKUGB-UHFFFAOYSA-N	309.325	1.162	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)C(C)C)nn1-c1ccccc1	735461619	KAZHHGPPERSNMU-UHFFFAOYSA-N	301.350	1.247	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](C)c1nc2ccccc2s1	734222574	KNXQGMRLWIUJKQ-SECBINFHSA-N	322.390	1.724	50	20	DDGD	
O=C(/C=C/c1ccc(SC(F)(F)F)cc1)NCB(O)O	585060508	FHLAZRWSJQSEMY-ZZXKWVIFSA-N	305.086	1.440	50	20	DDGD	
C=COc1ccc(NC(=O)NNC(=O)[C@H]2CCCCO2)cc1	839158528	LGVUBQPXPKVIHL-CYBMUJFWSA-N	305.334	1.931	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@H]1CCCCN1C(=O)c1ccccc1	910172955	HOYXLQLIIAAQHR-HIFRSBDPSA-N	319.405	1.025	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)N[C@H](C1CCC1)C1CC1	836688768	LMMGBZKHXQSIFJ-CYBMUJFWSA-N	303.366	1.418	50	20	DDGD	
Cc1ccc2c(c1F)N(CC(=O)NNC(=O)C1CC1)CCC2	839079633	UCUDJQQDPKXCSL-UHFFFAOYSA-N	305.353	1.444	50	20	DDGD	
C[C@@H](CCCCN)NC(=O)NNC(=O)Cc1ccc(F)cc1	841996908	VEIHBRKUDDMOLU-NSHDSACASA-N	310.373	1.216	50	20	DDGD	
Cc1ccncc1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	741889894	YRWALAACFQGEGZ-NSHDSACASA-N	317.320	1.758	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccc(F)cc1	843642087	DSYRITPABVHSQB-GYSYKLTISA-N	308.353	1.892	50	20	DDGD	
COC(=O)c1cnc(C(C)=NNC(=O)[C@@H]2CCO[C@H]2C)s1	842550633	ZLEPVDJDIPKFAH-DTWKUNHWSA-N	311.363	1.195	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1ccccc1F)C(=O)OC(C)(C)C	840333153	QOFGCLYRFDGFMH-SNVBAGLBSA-N	324.352	1.493	50	20	DDGD	
CCCC(=O)N1CCC[C@H]1C(=O)NNc1cccnc1Cl	840479305	IVBSVCFCAMNPPV-NSHDSACASA-N	310.785	1.969	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2csnn2)n1	915936943	HUHHNIMBJPEEFZ-UHFFFAOYSA-N	308.392	1.187	50	20	DDGD	
COc1cccc(C=NNC(=O)N2CCOCC2)c1OC(C)C	745590533	AHOUSLXETWLLRY-UHFFFAOYSA-N	321.377	1.858	50	20	DDGD	
CCCC(=O)N1CSC[C@@H]1C(=O)NNc1ccc(OC)cc1	746883403	RFGXITBHJFDNCD-CYBMUJFWSA-N	323.418	1.840	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCc1cc(F)ccc1F	843649925	YUBQFVQBSUBQLP-JOYOIKCWSA-N	312.316	1.470	50	20	DDGD	
CCOC(=O)c1ccc(C=NNC(=O)Cc2cc(C)[nH]n2)o1	748249769	GMMDPPBDBZSHCC-UHFFFAOYSA-N	304.306	1.181	50	20	DDGD	
N#Cc1csc(C=NNC(=O)Cc2cc(O)nc(S)n2)c1	748076499	RJRSVVCGTFILND-UHFFFAOYSA-N	319.371	1.097	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H]2CCC[C@@H](N)C2)cccc1[N+](=O)[O-]	841981336	ZPQIESBIQKLIHA-GHMZBOCLSA-N	307.354	1.799	50	20	DDGD	
O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	913733200	ZGTAZKCBTVSFPW-MELADBBJSA-N	321.421	1.363	50	20	DDGD	
CC(C)(C)c1[nH]cnc1C(=O)NNC(=O)c1cccc(Cl)n1	912506757	IZODBVOSXTUPQU-UHFFFAOYSA-N	321.768	1.830	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1n[nH]c2cc(C(=O)O)ccc12	842560942	IFSCIUITFFRRFZ-PSASIEDQSA-N	316.317	1.136	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)/C=C(/C)COC)cc1	845076467	OHZNVMXOOGMKCM-LUAWRHEFSA-N	323.418	1.996	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNc1ccc(F)cc1OC	846643897	RPJCSCPXQFXZHQ-UHFFFAOYSA-N	311.357	1.974	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCCc1ccc(OC)cc1OC	745823499	UTAYWMKRONRDIE-ACCUITESSA-N	304.346	1.806	50	20	DDGD	
COc1ncccc1C(=O)NNC(=O)c1ccc(C)cc1O	918340042	ZKZHGKYJZQJXRH-UHFFFAOYSA-N	301.302	1.179	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C2C[C@@H](C)n3ncnc32)c1	841610259	JLMZSFCTWYFRRV-SECBINFHSA-N	315.333	1.394	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1ccc2c(c1)C(=O)CC2	848449290	HICYPYSWLNMFJJ-UHFFFAOYSA-N	310.375	1.171	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCCC(F)(F)C2)cc1	844376127	WXRXXIPNDUWGBW-UHFFFAOYSA-N	311.332	1.487	50	20	DDGD	
NC[C@@H]1CC[C@@H](NC(=O)NNC(=O)c2cccc(Cl)c2)C1	842009582	FMLIEJWONJVEJX-BXKDBHETSA-N	310.785	1.411	50	20	DDGD	
CCSc1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)ccn1	843645991	HLCZRIWPOUBWEW-KOLCDFICSA-N	309.391	1.380	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2ccc(N3CCOCC3)nc2)c1	748036051	ZCYULSWBTYHFSH-UHFFFAOYSA-N	323.356	1.547	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Cc1cc(C)no1)c1ccccc1	845480591	IKYZUBCZVZISIH-CQSZACIVSA-N	301.346	1.867	50	20	DDGD	
C[C@H](N)CNC(=O)NNC(=O)c1ccc(Cl)cc1Cl	841984748	LIDWZGHEWFJUPY-LURJTMIESA-N	305.165	1.285	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc(-n2cccn2)c1	843650579	DTRMYTCRSNLKSQ-RISCZKNCSA-N	314.345	1.058	50	20	DDGD	
CCCNC(=O)NNC(=S)N[C@H]1CCc2ccccc2C1	742990440	OVUGOGMNXDNWMO-ZDUSSCGKSA-N	306.435	1.632	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cccc1[N+](=O)[O-]	843642221	WFIJYYRCCKGCTC-KOLCDFICSA-N	307.306	1.089	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=C1CCC(O)(C(F)(F)F)CC1	842551691	FQFBRYYUTGWYHI-OFXPGDHQSA-N	308.300	1.751	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H](C#N)CCc1ccccc1	843973181	XFMMHTHCIDDYPC-NWANDNLSSA-N	315.373	1.331	50	20	DDGD	
Cc1nccc(C(=O)NNC(=O)NCCc2cccs2)n1	920859835	KJTLNQYQAZJOLN-UHFFFAOYSA-N	305.363	1.033	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccccc2)c(-c2cccnc2)n1	920251835	SQGPRJAVZGHJRT-UHFFFAOYSA-N	321.340	1.557	50	20	DDGD	
Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)NNC(=O)CN(C)C	754208613	WNVZVDLRERXZFH-STQMWFEESA-N	303.406	1.685	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccsc1Br	854927650	MYTHSODDSXCSON-UHFFFAOYSA-N	308.226	1.592	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cc(F)ccc2O)c1O	751062380	FIALCWCIAHSSNH-UHFFFAOYSA-N	320.276	1.320	50	20	DDGD	
CCCC[C@H](COC)NC(=O)NNc1ncc(Cl)cn1	856865765	PZOFBGXBWUVOJZ-SNVBAGLBSA-N	301.778	1.961	50	20	DDGD	
CC[C@@H](C)CCNC(=O)NNC(=O)c1ccc2c(c1)OCCO2	852492392	QAHGVAGJNBELTP-LLVKDONJSA-N	321.377	1.838	50	20	DDGD	
CC(=NNC(=O)c1ccnc(N(C)C)c1)c1ccc(O)cc1O	757465579	RHOVGRTVYFSNNY-UHFFFAOYSA-N	314.345	1.713	50	20	DDGD	
Cc1cccc([N+](=O)[O-])c1C(=O)NNC(=S)N[C@H](C)C1CC1	855099485	HCMFDLUVVIKIDQ-SECBINFHSA-N	322.390	1.811	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cn2ccccc2n1	920006767	SYTDJNJFWONYPC-UHFFFAOYSA-N	324.340	1.347	50	20	DDGD	
COC(=O)[C@H]1CCC[C@H](C(=O)NNc2ncc(Cl)cn2)C1	857355925	BVXNZPKIGCOWIP-IUCAKERBSA-N	312.757	1.553	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	755310497	OYSYEIAGPDZEJF-LBPRGKRZSA-N	316.361	1.306	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(F)c(OC(C)C)c(F)c1	758011151	ZDDFTESNFJQRDR-UHFFFAOYSA-N	317.292	1.551	50	20	DDGD	
CCC1(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)COC1	755049984	UHTMTMKSIVYNSA-SNVBAGLBSA-N	310.325	1.167	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1cccc(OC(F)F)c1	755816658	GRJNYPNWLLGRRH-UHFFFAOYSA-N	323.259	1.545	50	20	DDGD	
C[C@]1(CNC(=O)NCCN2CCCC2=O)C[C@H]1Br	856921111	MNTCTOJJKCZRBE-BXKDBHETSA-N	318.215	1.082	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CC[C@H](O)CC2)cc1	753713914	KWZWPWBBIIVFHR-JOCQHMNTSA-N	321.377	1.008	50	20	DDGD	
COCCC1CCN(CC(=O)NNC(=O)c2ccccc2)CC1	859397973	CJFDZPVBBOPZJM-UHFFFAOYSA-N	319.405	1.196	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1C(C)=NNC(=O)[C@H]1CCO[C@@H]1C	853369578	ZVGHGDQORNLLNI-MFKMUULPSA-N	321.333	1.869	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccc(C(N)=O)cc2)C[C@H]1Br	857688142	DDRWQVACGYVGCX-MFKMUULPSA-N	311.179	1.689	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC([C@@H](O)c2ccnn2C)CC1	857734609	PXMRLJZLHLLPIS-HFBDAHEESA-N	318.377	1.136	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@H](C)N2CCSCC2)o1	750857607	YWCLXCPNHSNAOB-JTQLQIEISA-N	323.422	1.550	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2C[C@@H]3CCCCN3C2=O)cc1F	854125972	BLSIJVKWSYUTAE-JSGCOSHPSA-N	320.368	1.914	50	20	DDGD	
C[C@]1(CNC(=O)NCc2ccc(C#N)cn2)C[C@H]1Br	856857498	CXLIRZUINFBGIA-DGCLKSJQSA-N	323.194	1.926	50	20	DDGD	
CC[C@H](CN1CCCC1)NC(=O)NNC(=O)c1ccccc1F	758848318	VXWNUMBFZCTSBR-GFCCVEGCSA-N	322.384	1.644	50	20	DDGD	
C[C@@H]1CCCN(CC(=O)NNC(=O)c2cccc(C#N)c2)[C@@H]1C	756530207	CCMZNXACZQOHSG-CHWSQXEVSA-N	314.389	1.440	50	20	DDGD	
COc1ccc(OCC(=O)NN=C2CN(C3CC3)C[C@@H]2C)cc1	755879012	GXXOFKVEQDHGNK-LBPRGKRZSA-N	317.389	1.660	50	20	DDGD	
CN(C)c1nc2sc(C(=O)NNc3cnnn3C)cc2s1	857271421	LQXCVPQUDIAGRE-UHFFFAOYSA-N	323.407	1.309	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2C[C@H]2OC(C)(C)C)cc1	854212367	HZJGAKIXMNNEIV-ZIAGYGMSSA-N	320.389	1.725	50	20	DDGD	
CC(=O)N[C@@H](CCC(C)C)C(=O)NNC(=O)Nc1ccccc1	854377226	QUDUWQJAFLZFCW-AWEZNQCLSA-N	320.393	1.780	50	20	DDGD	
NC(=O)C(=O)NN=C1CC2(CCCCC2)Oc2ccccc21	753691714	AGDZABQPZAQORZ-UHFFFAOYSA-N	301.346	1.478	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2ccc(F)cc2C(F)(F)F)N1	863147657	LIOMGZDHTHGDTJ-JTQLQIEISA-N	317.242	1.573	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1ccc(Br)cn1	864352317	ZSWVDNVXMKALKC-TWGQIWQCSA-N	310.151	1.904	50	20	DDGD	
CC(C)[C@H](NC=O)C(=O)NNc1cccc(Br)n1	861939674	DWAMWPIVOAUZHR-JTQLQIEISA-N	315.171	1.058	50	20	DDGD	
CCc1noc2ncc(C(=O)NN[C@H](C)C(F)(F)F)cc12	862310114	YUJJYKWJYJDIIB-ZCFIWIBFSA-N	302.256	1.970	50	20	DDGD	
CC[C@H](Cc1ccccc1C)C(=O)NNC(=O)c1cn[nH]c1	862469325	GWJSUVDMNCIYOO-GFCCVEGCSA-N	300.362	1.748	50	20	DDGD	
O=C1OCC[C@@H]1NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	869094913	VGDVBCNLFZGNNI-PHGLEFOZSA-N	302.168	1.372	50	20	DDGD	
CSC[C@H](CCO)NS(=O)(=O)CC(C)(C)CCl	866858138	AUJXKGMVTIGMLU-VIFPVBQESA-N	303.877	1.285	50	20	DDGD	
CSc1ccc(C)c(NC(=O)C(=O)NNC(=O)C(C)(C)C)c1	761063813	MIEXMLVJNGWPJV-UHFFFAOYSA-N	323.418	1.849	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCSC1)c1cc(Cl)ccc1O	762442696	IOFGTYMJEOHIOR-SSDOTTSWSA-N	300.767	1.560	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@H]1CCOC(=O)N1	862001597	YTMGUKYFRFKDDH-SSDOTTSWSA-N	313.745	1.195	50	20	DDGD	
C[C@@H](CCC1CC1)NC(=O)NNc1ccc(-n2cccn2)nn1	769558610	YZCDYVGWEHVBCG-NSHDSACASA-N	315.381	1.867	50	20	DDGD	
COC[C@@H]1CCCN1NC(=O)[C@H](Br)C(C)(C)C	862594897	NJGHHJOOOOBNPZ-UWVGGRQHSA-N	307.232	1.938	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNC(=O)C2CCCC2)cc1F	764066004	DZNZZRGOFDGXAE-UHFFFAOYSA-N	323.324	1.110	50	20	DDGD	
Cc1nc(CC(=O)NNCC(F)(F)C(F)(F)F)cs1	863092180	ITNVUFHXQGKPBB-UHFFFAOYSA-N	303.256	1.812	50	20	DDGD	
Cn1nc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cc1C1CC1	768249970	IWPQPCPWMJWKRM-UHFFFAOYSA-N	301.306	1.963	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)Nc1nc(C2CCC2)cs1	861063281	AXXMTPCKZXRLGO-UHFFFAOYSA-N	306.351	1.600	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)CCOc2ccccc2)c1C	865053826	OHWLMYAEUJVYQA-UHFFFAOYSA-N	316.361	1.442	50	20	DDGD	
Cc1cc(=NNC(=O)C[C@@H](C)NC(=O)C2CCCCC2)cc[nH]1	862510968	BFENMXTYWKOCJU-CYBMUJFWSA-N	318.421	1.730	50	20	DDGD	
OB(O)c1ccc(CNc2cccc(N3CCCCC3)c2)cc1	864020619	NIUSGETYCNEUOB-UHFFFAOYSA-N	310.206	1.969	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cc[nH]1	862510639	NYHGTCHFSGORQW-CYBMUJFWSA-N	318.421	1.540	50	20	DDGD	
CCNC(=O)COC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	769977978	IMULYLLKLIZFHL-YGOYTEALSA-N	304.184	1.619	50	20	DDGD	
O=C1N[C@@H](C(=O)NNc2cc(Cl)cc(Cl)c2)CCO1	861297715	ZEFWCGNCBRFCIO-SECBINFHSA-N	304.133	1.935	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)c2cccc(Cl)c2)nn1	766288036	DGWJANLUVGTFRE-UHFFFAOYSA-N	307.741	1.416	50	20	DDGD	
Cc1ccc2c(c1)N(C(=O)C(=O)NNC(=O)OC(C)(C)C)CC2	765392605	YBYDIQYKSQLCKY-UHFFFAOYSA-N	319.361	1.440	50	20	DDGD	
COCCOCC(=O)NN=Cc1cc(C)ccc1OC(F)F	872401789	JDSTYSZRANUENQ-UHFFFAOYSA-N	316.304	1.710	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C2[C@@H]3CCC[C@@H]23)cn1	874954172	PGJRQUQVIXJFEB-NXEZZACHSA-N	306.391	1.454	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1ccc(F)c(Cl)c1	872402595	IEKLCGUABDERNJ-UHFFFAOYSA-N	302.733	1.982	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNC(=O)COc1ccc(C)c(C)c1	779717265	RNMAHTSLUZZXDX-UHFFFAOYSA-N	322.361	1.171	50	20	DDGD	
CC[C@H](NNC(=O)[C@H]1CCO[C@H]1C)C(=O)Nc1ccc(C)cc1	871888358	ACQZPACMIYUCIU-QEJZJMRPSA-N	319.405	1.758	50	20	DDGD	
COCc1cccc(CC(=O)NNc2ccnc(N(C)C)n2)c1	779380776	XYLNBEBBGPJYPE-UHFFFAOYSA-N	315.377	1.375	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2ccc3cccnn23)c1	777787883	ZPBYEFWBJOZMHV-UHFFFAOYSA-N	324.340	1.483	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc(OC(F)F)cn1	772422561	HFEUEKQZODZLNH-UHFFFAOYSA-N	300.265	1.037	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)/C=C(/C)c1ccccc1	772038433	VVYDHBFQCRJVGL-WEHUKYGOSA-N	304.346	1.579	50	20	DDGD	
Cc1ncc(NC(=O)C(=O)NNc2cccc(Cl)c2)cn1	773728875	BZIOLJJSUWNGIQ-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1nnc(C(F)F)s1	775559035	TYTLVQIDYDOMLW-UHFFFAOYSA-N	305.245	1.553	50	20	DDGD	
O=C(NNc1ccc(F)cn1)c1ccnc(N2CCCCC2)n1	874650033	OEUKQRRHNRNHGS-UHFFFAOYSA-N	316.340	1.758	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)n1	773860959	KOQVHISJSJJXOL-UHFFFAOYSA-N	324.684	1.083	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1ccc(OCC(C)C)cc1	779824074	ZKXPYPQXBWHFBQ-UHFFFAOYSA-N	321.377	1.918	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc2ncsc2c1	771848401	AMDNNMXJGDFRNS-MRVPVSSYSA-N	321.358	1.399	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H](CCO)c1ccccc1F	882309876	RLYJXHJLNVCBDN-LBPRGKRZSA-N	309.790	1.798	50	20	DDGD	
Cn1cnc(C(=O)NNC(=O)NCc2ccc(Cl)cc2)c1	787425273	UXRPIFVSTOTETP-UHFFFAOYSA-N	307.741	1.218	50	20	DDGD	
Cc1nc(CNS(=O)(=O)CCCCCl)ccc1[C@H](C)O	780832470	QCBVJZQUWPAWKC-NSHDSACASA-N	320.842	1.882	50	20	DDGD	
COC1(CO)CCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)CC1	787587775	UQAGUSVMIWPFFQ-GXDHUFHOSA-N	316.357	1.299	50	20	DDGD	
O=C(NNc1ncncc1Cl)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	781008562	BVQDLQHGSLSGRW-GDPRMGEGSA-N	323.784	1.714	50	20	DDGD	
N#CCCCOc1cccnc1NC(=O)NNc1cnccn1	786150357	OJBYPLHZMSLAFU-UHFFFAOYSA-N	313.321	1.703	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(-c2ccccc2F)on1	780711594	MOJBZUPHLVREPY-UHFFFAOYSA-N	306.297	1.787	50	20	DDGD	
CO[C@]1(C(=O)NNc2ccc([N+](=O)[O-])cc2C)CCSC1	897759874	AZFDYWRIUGAIJU-CYBMUJFWSA-N	311.363	1.868	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNc2ncncc2Cl)ccc1F	781823964	ABGDZUNOXCWHMY-UHFFFAOYSA-N	323.715	1.984	50	20	DDGD	
COCCN(C)NC(=O)CCC(=O)N[C@@H](C)c1ccccc1	897722407	YOBQAOSSNZZZIC-ZDUSSCGKSA-N	307.394	1.253	50	20	DDGD	
O=C(C[C@@H]1OC(=O)c2ccccc21)NNc1ncncc1Cl	781830167	QTARJNTYJSPKJS-NSHDSACASA-N	318.720	1.875	50	20	DDGD	
CCOc1ccc2ccccc2c1C(=O)NNC(=O)CN(C)C	894133133	GORNPHHYXNFAOH-UHFFFAOYSA-N	315.373	1.561	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc(F)c(F)c(O)c1F	899995674	ABYIYYOXZFMXFZ-UHFFFAOYSA-N	321.324	1.717	50	20	DDGD	
C[C@@H](CNS(=O)(=O)c1ccc(CCl)cc1)CN(C)C	389084519	MAKIWUODMADUBV-NSHDSACASA-N	304.843	1.901	50	20	DDGD	
Cc1c[nH]nc1C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	799408105	JWWPUCIKBMPVPA-GFCCVEGCSA-N	316.361	1.563	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cc([C@H]2CCCOC2)nn1C	790553219	GBPZAVXGQLSHHU-JTQLQIEISA-N	309.370	1.123	50	20	DDGD	
C=CCN(CCC#N)CC(=O)NNC(=O)c1ccc(C)cc1	794735153	PUUBFRMJWIJKJY-UHFFFAOYSA-N	300.362	1.158	50	20	DDGD	
COCCN([C@H]1CC[C@@H](C)C1)S(=O)(=O)CBr	790937288	WUIGIBLKJXEAKL-ZJUUUORDSA-N	314.245	1.806	50	20	DDGD	
CCOC[C@@H](NCC(=O)NNC(=O)c1cccs1)C(C)C	794599174	DQCGAKSKEXTUCG-LLVKDONJSA-N	313.423	1.160	50	20	DDGD	
CCc1nn(C)c(Cl)c1C=NNC(=O)c1ccc(O)c(O)c1	794552040	XGACBMOFYCDUGS-UHFFFAOYSA-N	322.752	1.811	50	20	DDGD	
CCc1cccc2c1OCCC2=NNC(=O)NCC(=O)OC	794928101	BBQKAOAEPKHORO-UHFFFAOYSA-N	305.334	1.208	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F	795277023	XYHSAMLJAFHWQK-UHFFFAOYSA-N	316.688	1.688	50	20	DDGD	
C[C@H]1CC[C@H](CNC(=O)NNc2nc(O)c3cnn(C)c3n2)C1	793458112	GGLSWUFTUWDTPX-IUCAKERBSA-N	319.369	1.131	50	20	DDGD	
CC(C)NC(=O)NN=Cc1ccc(N2CCN(C)CC2)c(F)c1	1318036765	YOTKXGZVHGGNIP-UHFFFAOYSA-N	321.400	1.619	50	20	DDGD	
COC(=O)C(=O)NN=Cc1c[nH]nc1-c1ccc(Cl)cc1	1319495394	DNYIOTMCOYAHDU-UHFFFAOYSA-N	306.709	1.353	50	20	DDGD	
O=C(CCO)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1	1318924082	QEJVNHDPMAGVLA-UHFFFAOYSA-N	303.274	1.687	50	20	DDGD	
C[C@H]1CCC[C@H](OCC(=O)NNc2nncc(N)c2Cl)C1	1319777385	QWOQCUZAMQPZQA-IUCAKERBSA-N	313.789	1.751	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cnn(C3CCCCC3)c2)cn1	1318903815	UXZNEVSMUMPMHK-UHFFFAOYSA-N	316.365	1.197	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCc1nc2cccnc2[nH]1	1321954315	JCGQEDWCIRHVQJ-UHFFFAOYSA-N	304.354	1.021	50	20	DDGD	
O=C(C[C@H]1CCOC1)NNc1cncc(Br)c1	1320736937	FHBGDXLRGAWACC-MRVPVSSYSA-N	300.156	1.714	50	20	DDGD	
CC(C)C1CN(C(=O)C(=O)NC[C@]2(C)C[C@@H]2Br)C1	1328549101	ZCLAWNSFDJIJMQ-GWCFXTLKSA-N	317.227	1.391	50	20	DDGD	
CC[C@@H](CSC)NC(=O)NNc1nncc(N)c1Cl	1323424955	CZCLTTFASYYDGR-LURJTMIESA-N	304.807	1.480	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1ccc2nonc2c1	1324289888	ORCQMROHQLUSEL-UHFFFAOYSA-N	314.276	1.366	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)N[C@H]1C=CCCC1	1323792919	BAVVJJSOUFYDOQ-LBPRGKRZSA-N	319.361	1.513	50	20	DDGD	
O=C(CN1CCC(CO)CC1)NNc1cc(F)c(F)cc1F	1336404946	NJNYTZXLWHJKJM-UHFFFAOYSA-N	317.311	1.251	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2occ(C)c2C)cn1	1332382914	AXICSMRPKUVACO-UHFFFAOYSA-N	320.374	1.931	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)C12CCC(CC1)CC2	1335789222	LMRCSWOHLHPEDJ-UHFFFAOYSA-N	318.373	1.889	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](O)CN(C(=O)c2cccc(CCl)c2)C1	1336534922	DHPGRPSGDNMPSM-QWHCGFSZSA-N	311.765	1.421	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)N2CCc3ccc(C#N)cc32)c1	1338666815	UROUKXMMKIKUEB-UHFFFAOYSA-N	321.340	1.294	50	20	DDGD	
COc1cc(F)cc(NC(=O)C(=O)NN(C)c2ccccc2)c1	1339793480	KBXIMGWEKBRIGM-UHFFFAOYSA-N	317.320	1.940	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccnc(OC2CCC2)c1	1337981883	UBSWVADXZZBYFV-UHFFFAOYSA-N	315.333	1.568	50	20	DDGD	
CC(C)c1ncc(C(=O)NNC(=O)CCc2ccccc2)[nH]1	1339432902	YBAQPPZTZJEYMW-UHFFFAOYSA-N	300.362	1.927	50	20	DDGD	
CNc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)c1ccc(C)o1	1331596390	KVECSLRLSJUYKY-UHFFFAOYSA-N	318.289	1.613	50	20	DDGD	
CC(C)c1ncc(C(=O)NNc2ccc(-n3ccnc3)nn2)[nH]1	1346156953	OYVGNDVYXVTVOA-UHFFFAOYSA-N	312.337	1.266	50	20	DDGD	
Cc1csc([C@H](NCC(=O)NNC(=O)C(C)C)C2CC2)n1	1344124745	OFUGXHJHOUYBPQ-GFCCVEGCSA-N	310.423	1.296	50	20	DDGD	
COc1ccc(OC(C)C)c(NC(=O)NNC(=O)CCO)c1	1342575197	ZZDYIUNKWRZFCI-UHFFFAOYSA-N	311.338	1.018	50	20	DDGD	
C[C@H](NC(=O)NNc1ncccc1F)[C@@H]1C[C@H](C(=O)O)C1(C)C	1603232651	QRQJNIWHJOTOGP-LPEHRKFASA-N	324.356	1.982	50	20	DDGD	
O=C(NCCc1ccoc1)NNc1ccc(C(=O)O)c(F)c1	1601513178	IURSQSSACBOKMI-UHFFFAOYSA-N	307.281	1.986	50	20	DDGD	
CC[C@@H](C(=O)O)C(=O)NNC(=O)c1cccc2ncccc12	1609885880	ACOQSQVQSUHTFM-SECBINFHSA-N	301.302	1.107	50	20	DDGD	
CCOc1ccc(NNC(=O)NC[C@H]2CCO[C@H]2C(=O)O)cc1	1605696578	DLYJCINLJRUBTB-ZWNOBZJWSA-N	323.349	1.201	50	20	DDGD	
CCN1CCC(NC(=O)NNc2cccc(C(=O)O)c2C)CC1	1605472673	VJHXGKYEXIXTNN-UHFFFAOYSA-N	320.393	1.804	50	20	DDGD	
O=C(NNC(=O)C(=O)O)N[C@@H]1C[C@H]1c1cccc2ccccc12	1608477971	QRPWIFFOKWYXSI-QWHCGFSZSA-N	313.313	1.111	50	20	DDGD	
COc1cnc(C(=O)NNc2ccc(C(=O)O)cc2F)c(F)c1	1607355004	QATYHYWVKUBRCM-UHFFFAOYSA-N	323.255	1.824	50	20	DDGD	
C[C@@H](CC(=O)O)C(=O)NNc1cncc(Br)c1	1604095223	RDMPUUHTGYEMRT-LURJTMIESA-N	302.128	1.398	50	20	DDGD	
Cc1c(NNC(=O)c2c[nH]nc2[N+](=O)[O-])cccc1C(=O)O	1600056144	VCGMRFDWNGAOHH-UHFFFAOYSA-N	305.250	1.081	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CC(C)(C)CC(=O)O)n1	1607959251	JAOQYUWZFLWNIE-UHFFFAOYSA-N	300.746	1.773	50	20	DDGD	
CNc1snc(C)c1C(=O)NNc1ncccc1C(=O)O	1604253647	LNDWFNSFBNJEIL-UHFFFAOYSA-N	307.335	1.343	50	20	DDGD	
C[C@@H]1CNc2c(C(=O)NNc3ccccc3C(=O)O)cnn2C1	1604814552	AJPLFMCUUOEQQP-SECBINFHSA-N	315.333	1.400	50	20	DDGD	
O=C(CCc1ccsc1)NNc1ccc(-c2nn[nH]n2)cn1	1606535746	DPQUPPRHGKUIEW-UHFFFAOYSA-N	315.362	1.399	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccsc2C(=O)O)cc1	1607808379	MRUINBYRFHOXIE-UHFFFAOYSA-N	319.342	1.837	50	20	DDGD	
O=C(NN=C1CCCC[C@@H]1CCCO)[C@H]1CN2CCC[C@@H]2CO1	1549313721	HRXPYERMLNNHAZ-IIAWOOMASA-N	323.437	1.285	50	20	DDGD	
C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](F)Cl)n[nH]1	1818044223	YLRALKVVCBBPOE-JOYOIKCWSA-N	312.732	1.569	50	20	DDGD	
CC(C)C(=O)NC1CCN(S(=O)(=O)CCCCCl)CC1	228326398	DWKCFNRVDZRKQL-UHFFFAOYSA-N	324.874	1.572	50	20	DDGD	
C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](F)Cl)[nH]n1	1821876459	XUWGSUSRFSUANE-BXKDBHETSA-N	312.732	1.569	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CC)C1	1841278853	KOEVBCCRFZAWAY-VXGBXAGGSA-N	316.829	1.368	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCn1nnc(CCC(=O)O)n1	1590451809	RUCFUUAOWQUDEV-UHFFFAOYSA-N	300.435	1.712	50	20	DDGD	
C[C@@H](CCCCN)NC(=O)NNc1ccc(C(=O)O)c(F)c1	1592485573	RXYCCGMBMQMSMF-VIFPVBQESA-N	312.345	1.668	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(-c2nn[nH]n2)nc1	1591993645	WCNDGWQEEMYHDH-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
Cn1c(=NNC(=O)[C@H](C(=O)O)C(C)(C)C)sc2ccccc21	1594515595	LMKIPDGGROZEMZ-LLVKDONJSA-N	321.402	1.919	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NN[C@H](C(=O)O)C3CC3)cc2C1	1594451301	ZPZVLRSKMHLJBQ-SDBXPKJASA-N	308.403	1.971	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)/C=C/c1cc(C(=O)O)co1)C1CC1	1593190073	LBACSJPDQKSCFK-WTSVBCDHSA-N	323.374	1.285	50	20	DDGD	
CC1=CC[C@@](C)(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)CC1	1590159903	HOBNNUHQVPNUFF-OAHLLOKOSA-N	313.365	1.841	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	1595182238	LRHPUFZKPOPASN-HTQZYQBOSA-N	313.697	1.802	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ncccc2C(=O)O)c2ccccc21	1595285653	OVMVQMCIPMXPJZ-LBPRGKRZSA-N	311.297	1.593	50	20	DDGD	
C[C@@H](Cc1cnc[nH]1)C(=O)NNc1cccc(F)c1C(=O)O	1592906941	KCALPTPECPLXQS-QMMMGPOBSA-N	306.297	1.569	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N(CC(=O)O)C1CCC1	1594602760	ZAZAUVAXGLPOKX-XYOKQWHBSA-N	300.314	1.765	50	20	DDGD	
COCCN(CC(F)(F)F)S(=O)(=O)CCCCCl	153765637	PYWFXLBWJAWQDO-UHFFFAOYSA-N	311.753	1.846	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C[C@H](C)c2ccccc2F)[nH]n1	153191442	SXUKWMCUKORGBZ-VIFPVBQESA-N	304.325	1.812	50	20	DDGD	
COc1ccccc1OCCC(=O)NNc1ncc(F)cn1	157428503	KAHNYXLVVBTXBE-UHFFFAOYSA-N	306.297	1.537	50	20	DDGD	
Cc1oc2ncn(C)c(=O)c2c1C(=O)NNc1cccc(F)c1	154654012	YMUYVDFWAXSBRM-UHFFFAOYSA-N	316.292	1.731	50	20	DDGD	
C#CCSCCNC(=O)NNC(=O)c1ccc(CC)cc1	154854091	YWNYLLXFKPTLQV-UHFFFAOYSA-N	305.403	1.559	50	20	DDGD	
C#Cc1cccc(NC(=O)CN(C)C(=O)/C(C#N)=C\OCC)c1	159055000	SGGYMGXCWDYKMO-OWBHPGMISA-N	311.341	1.509	50	20	DDGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CCO[C@H]2C[C@@H]21	813735195	XWTGVLOLBUSPAL-STQMWFEESA-N	301.795	1.630	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C23CC2C3)cc1	2088600781	NLKXOANKXAJHKV-SGWRBKMISA-N	304.346	1.410	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(F)cc2)c1	3609790	OULZRVZBLLQEDU-UHFFFAOYSA-N	318.304	1.918	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H]2CCN(C3CCCCC3)C2)n1	177656279	INHBNFANCHSEPE-LBPRGKRZSA-N	319.409	1.583	50	20	DDGD	
C#Cc1cccc(N(C)CC(=O)NNC(=O)c2ccc(C)cc2)c1	113931995	SEIDEMYXMLQOLD-UHFFFAOYSA-N	321.380	1.874	50	20	DDGD	
CCC[C@H](CC)NC(=O)NNC(=O)Cc1cn2ccccc2n1	175400122	CGJOWUSKVMJNBY-LBPRGKRZSA-N	317.393	1.786	50	20	DDGD	
O=C(CCn1cccn1)NNC(=O)Cn1ccc2ccccc21	104630887	CVEGTVDPBARYMH-UHFFFAOYSA-N	311.345	1.076	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)nc2)nc1	107558613	BQMTXOYRKGMRFA-UHFFFAOYSA-N	301.693	1.076	50	20	DDGD	
Cc1cncc(CNC(=O)NNc2ccc(-n3cccn3)nn2)c1	119669838	BWPASKHQSAXJJK-UHFFFAOYSA-N	324.348	1.192	50	20	DDGD	
O=C(CC[C@@H]1CCCCO1)NNC(=O)c1ccc(Cl)nc1	110634347	YSUDKRXKQQQXDT-NSHDSACASA-N	311.769	1.845	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1oc(C)nc1C	175660698	GOSLCBBVVVMOES-UHFFFAOYSA-N	303.318	1.304	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc3ccccc3o2)c(=O)[nH]1	177735063	HFPRODZYNXIFNQ-UHFFFAOYSA-N	311.297	1.504	50	20	DDGD	
COc1ccc(OCCCC(=O)NNC(=O)NC2CC2)cc1	64428571	IREVBYMZDCNJCD-UHFFFAOYSA-N	307.350	1.347	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)NCC(F)(F)F)cc1	60415279	ZDXUECGPEWUUBF-QPJJXVBHSA-N	317.267	1.601	50	20	DDGD	
O=C(CCCNc1ccc([N+](=O)[O-])cc1)NNc1cnccn1	175358909	ZZLMFPSWLLQXRK-UHFFFAOYSA-N	316.321	1.720	50	20	DDGD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NNc1cccc([N+](=O)[O-])c1	178841359	QVNNHBKFLXYZKY-GWCFXTLKSA-N	309.322	1.622	50	20	DDGD	
Cc1c(C(=O)NNc2ncnc3nc[nH]c23)cnn1C(C)(C)C	173931617	GHSBLTDTOHGORT-UHFFFAOYSA-N	314.353	1.370	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cc(C2CC2)n(C(C)(C)C)n1	63268923	XBZXIGCNJOPTAY-UHFFFAOYSA-N	307.398	1.868	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NC(C1CC1)C1CC1	66976591	SHECFXMAEMWTPD-UHFFFAOYSA-N	305.353	1.887	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccc3c(c2)OCO3)o1	175831922	FSPDJRUXONMRQI-UHFFFAOYSA-N	302.286	1.320	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)COc2cccc(C=O)c2)n1	113144794	MWRPGTJESJNAKH-UHFFFAOYSA-N	300.318	1.428	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cc(Cl)ccn1	65664927	FGJUJSHCFOOYGU-UHFFFAOYSA-N	319.748	1.747	50	20	DDGD	
CCN1CCCC[C@H]1CNC(=O)NNc1ccc(Cl)nn1	111511330	IKXDCAIUILAGPV-JTQLQIEISA-N	312.805	1.631	50	20	DDGD	
CCOC(=O)NNC(=O)c1cccc(Cn2nc(C)cc2C)c1	63536592	KVWDFGDPGTVTDQ-UHFFFAOYSA-N	316.361	1.939	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1cc(C2CC2)on1	172400983	CPPCWDLRBKGSGQ-UHFFFAOYSA-N	315.329	1.530	50	20	DDGD	
CCc1cccc(CC)c1NC(=O)C(=O)NNC(=O)[C@H](C)CC	124797423	LLKFWLMSUMLTGA-LLVKDONJSA-N	319.405	1.943	50	20	DDGD	
COCCCNC(=O)NNC(=S)Nc1ccccc1OC	64937350	INAXMRUQQCRGSA-UHFFFAOYSA-N	312.395	1.232	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1c[nH]c2cccc(F)c12	185197424	YHNHMXBKEXASEN-UHFFFAOYSA-N	313.354	1.663	50	20	DDGD	
CC(=O)c1ccccc1C(=O)NNc1cc(Cl)nc(N)n1	121683149	IDUCDAGHRWRXSZ-UHFFFAOYSA-N	305.725	1.672	50	20	DDGD	
CC(C)C[C@@H](CO)NC(=O)NNC(=O)CCCc1ccccc1	180961628	VGKNDRQNFKYOEL-HNNXBMFYSA-N	321.421	1.747	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccn2C)nn1C(C)(C)C	120814650	POQRGSWLFUEPSO-UHFFFAOYSA-N	303.366	1.360	50	20	DDGD	
Cc1ccc2c(c1)OCCN2[C@H](C)C(=O)NNC(=O)CC(C)C	126559802	AJZFLQCCKJQREU-CYBMUJFWSA-N	319.405	1.776	50	20	DDGD	
COC(=O)Cc1cccc(C(=O)NNc2nc(C)cc(C)n2)c1	187791202	HUPCZHYKAKGRGO-UHFFFAOYSA-N	314.345	1.566	50	20	DDGD	
CC[C@H]1[C@@H](C)CCN1CC(=O)NNC(=O)Cc1nc(C)cs1	185584361	KNOZDRAERKJMDP-JQWIXIFHSA-N	324.450	1.262	50	20	DDGD	
COCCC1(C(=O)NNC(=O)c2ccc(Cl)nc2)CCC1	125434826	YYRCQALPQMRQBG-UHFFFAOYSA-N	311.769	1.703	50	20	DDGD	
COc1cccc(NNC(=O)c2cc(F)cc3nccnc23)n1	180676690	GLYXLMIKBLZXKJ-UHFFFAOYSA-N	313.292	1.929	50	20	DDGD	
CN1CCC(C(=O)NNC(=O)Cn2ccc3ccccc32)CC1	73432090	RAYUFGCVTXHHHH-UHFFFAOYSA-N	314.389	1.131	50	20	DDGD	
CC(C)[C@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1ccccc1	78969981	ZPVZTHQQZMFBBK-KBPBESRZSA-N	305.378	1.893	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)NC1CCCC1	31025556	FAHBPKPXCYNURY-UHFFFAOYSA-N	321.377	1.737	50	20	DDGD	
Cn1c(NNC(=O)[C@H](O)c2ccccc2)nc2ccccc2c1=O	73647571	ZVIUFMVHUHZYDO-CQSZACIVSA-N	324.340	1.110	50	20	DDGD	
C[C@@H](NC(=O)CC1CCCCC1)C(=O)NNc1ccncc1	180528179	VSOQIHTWYBXLCJ-GFCCVEGCSA-N	304.394	2.000	50	20	DDGD	
CC[C@@H]1C[C@@H](C(=O)NNc2nc(-c3ccncc3)no2)CCO1	183585666	PXINVSSPQWOZEG-NWDGAFQWSA-N	317.349	1.780	50	20	DDGD	
CC[C@H]1CCC[C@@H](NC(=O)NNC(=O)Cc2ccncc2)C1	83233012	LUYQCVYCSWSSAB-GXTWGEPZSA-N	304.394	1.923	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNC(=O)c1cccc2ncccc12	191317465	CZKAJQDZQMIWQY-UHFFFAOYSA-N	323.356	1.578	50	20	DDGD	
Cc1ccn(CC(=O)NNc2cccc([N+](=O)[O-])c2)c(=O)c1	194938537	VTIRPZSWPOQYTA-UHFFFAOYSA-N	302.290	1.208	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cccc(Br)c1	49167035	TVOMNYKYSUJHPB-UHFFFAOYSA-N	312.167	1.803	50	20	DDGD	
CCC(C)(CC)C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1	138238874	UNTKYWXKXYOOEP-BETUJISGSA-N	313.442	1.459	50	20	DDGD	
CCn1cc([N+](=O)[O-])c(C(=O)NNc2ccccc2[N+](=O)[O-])n1	191754996	RPAGFLLSAVDGNS-UHFFFAOYSA-N	320.265	1.476	50	20	DDGD	
COc1cc(C)nc(NNS(=O)(=O)CCCCCl)n1	190790146	AHYPASWCTRBCOH-UHFFFAOYSA-N	308.791	1.059	50	20	DDGD	
CCc1cnc(CNC(=O)NNC(=O)OC(C)(C)C)s1	80533472	IEEIEGQKSGVERC-UHFFFAOYSA-N	300.384	1.944	50	20	DDGD	
CCCCOC(=O)CNC(=O)/C(C#N)=C\c1ccc(O)cc1	194583439	BHAURSGWDNRELF-LCYFTJDESA-N	302.330	1.759	50	20	DDGD	
CC(C)CCCNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	193433671	SRQYHYXLWYLKCM-UHFFFAOYSA-N	308.338	1.975	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)C[C@H](C)C2CC2)cc1	145341802	JIEGDWGPGUDESK-LBPRGKRZSA-N	318.373	1.735	50	20	DDGD	
C[C@H](CO[C@@H]1CCOC1)NC(=O)NNc1cccc([N+](=O)[O-])c1	267885256	PYYAQQAVNIPFSD-ZWNOBZJWSA-N	324.337	1.415	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)CNc1ccc(OC)cc1	269849151	OHZDEGLJDHKFHJ-LLVKDONJSA-N	309.366	1.070	50	20	DDGD	
CC(C)(C)c1nnc(CNC(=O)NNC(=O)C2CCC2)s1	268381335	YXTATXPJGVNMOS-UHFFFAOYSA-N	311.411	1.466	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)[C@H]1COc2ccccc2O1)C(C)(C)C	265206628	DHKXKKPKZPBYRR-GXFFZTMASA-N	306.362	1.656	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)N[C@H]1CCSC1	266715756	IVDYVYPGINIPPN-ZDUSSCGKSA-N	307.419	1.845	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)C1CCSCC1	264818054	MBUQCIXJUUKEPH-UHFFFAOYSA-N	308.403	1.615	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H]1CCO[C@H](C)C1	272079807	MPXNTUCQBWHGOF-OCCSQVGLSA-N	320.389	1.590	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1cc(F)cc(Cl)c1	270145685	TXAUJPSRBOGBMT-UHFFFAOYSA-N	308.762	1.835	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@H]2CCO[C@@H](C)C2)nc1C	272149162	FVPRVHDVXRGQNV-ONGXEEELSA-N	322.365	1.220	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)NCCCCCCO	271789067	IVWZNIHSYGVDKW-UHFFFAOYSA-N	323.393	1.339	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@@H]1C[C@H](F)CN1	368368930	FJUQWFZGUVCKME-QWRGUYRKSA-N	302.781	1.169	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2cccc([N+](=O)[O-])c2)[C@@H]1OC	275330032	UBUGJGAZUIAPOS-XQQFMLRXSA-N	324.337	1.413	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)n1	278739811	QVLFMYZPUALNIV-SNVBAGLBSA-N	321.381	1.116	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@H](NC(=O)NNC(=O)c2ccccc2O)C1(C)C	271962356	ZKTMYGBDHAOZTB-TVYUQYBPSA-N	321.377	1.396	50	20	DDGD	
O=C1CCC[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)N1	270454603	FPHYIADPINENJB-JTQLQIEISA-N	312.713	1.360	50	20	DDGD	
C[C@@H](C(=O)NNc1ccccc1F)n1nnnc1C(C)(C)C	273493656	TWEXBIUSCCOYDG-VIFPVBQESA-N	306.345	1.814	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)/C(C#N)=C\c1ccc(O)cc1	279686047	HTFLHPDAFMKONK-FLIBITNWSA-N	303.318	1.855	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(C#N)cc1	276606754	RXCXCZJGZDJOCJ-UHFFFAOYSA-N	305.334	1.108	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1cccc2c1OCCC2=O	370376019	YWXUCTSYOLICHD-UHFFFAOYSA-N	314.301	1.446	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](CC2CCC2)NC(C)=O)nc1	280360658	VJMRRKLTKYHHCJ-CYBMUJFWSA-N	306.366	1.228	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1C	280582315	MOJQHMRTMBDLFO-UHFFFAOYSA-N	322.365	1.916	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNc1nnc(-c2ccccn2)s1	286439827	HXVNAPWYPZIDJA-CYBMUJFWSA-N	302.363	1.983	50	20	DDGD	
COCCOC1CCC(C(=O)NNc2nccnc2OC)CC1	280281800	PTTUXRSTKCHTLJ-UHFFFAOYSA-N	324.381	1.150	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@]12CCOC2)Nc1ccc(Cl)cc1	374703638	RUGAOEYOPVAOFU-FZMZJTMJSA-N	309.753	1.919	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Nc1cccc(C#N)c1	283925197	KHBNRSHGAWPVEZ-UHFFFAOYSA-N	320.349	1.500	50	20	DDGD	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ncnc2ccsc12	286871233	YZGSJIUWADLWOG-JGVFFNPUSA-N	306.347	1.334	50	20	DDGD	
O=C(NC[C@H]1CCOC1)NNC(=O)c1c[nH]c2ccccc12	298763547	VSPXQQZXNOBAJB-SNVBAGLBSA-N	302.334	1.148	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)CNc1ccc(C)cc1)C1CC1	292715652	TTWOBSPNPLTVAC-INIZCTEOSA-N	305.378	1.369	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1ccc(OC(F)F)nc1	801954035	ZKYBSGPQLIWSCJ-UHFFFAOYSA-N	323.259	1.545	50	20	DDGD	
CNC(=O)Oc1cccc(NC(=O)NNC(=O)CC(C)(C)C)c1	297158749	UQGCXIRLBZUHEA-UHFFFAOYSA-N	322.365	1.994	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(-c3cnco3)cc2)O1	293785584	BUKWEEHFIIZRBA-GWCFXTLKSA-N	315.329	1.670	50	20	DDGD	
C[C@@H]1CCCN(c2cc(C(=O)NNC(=O)NC3CC3)ccn2)C1	291558744	RFXDRBMDWIPLJU-LLVKDONJSA-N	317.393	1.424	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@]2(CCN(C)C2)C1	293621722	DRJQXENIUKALSZ-INIZCTEOSA-N	324.856	1.907	50	20	DDGD	
CC[C@H](C)[C@@H](CNC(=O)NNc1cncc(Cl)n1)OC	298093560	LSQQWUVRVXFOEJ-DTWKUNHWSA-N	301.778	1.817	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)[C@H]2CCCCN2C(C)=O)c1	294031377	WPFKSLZRAXBXIW-OAHLLOKOSA-N	318.377	1.489	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccn(-c2ccccc2Cl)n1	804125697	PCEYZBIDXUZSJQ-UHFFFAOYSA-N	308.725	1.869	50	20	DDGD	
Cc1nc2ccccc2c(=O)n1CC(=O)NCC(Cl)Cl	294846641	ZMUOFQFUYMUQDQ-UHFFFAOYSA-N	314.172	1.625	50	20	DDGD	
C=CCN1C(=O)C(=O)N(CCO[Si](C)(C)C(C)(C)C)C1=O	298337949	NZRFTLGPCRXNKI-UHFFFAOYSA-N	312.442	1.985	50	20	DDGD	
NC(=O)c1ccccc1CCC(=O)NNc1cccc(F)n1	804774429	KXPWXUHIUGGCJZ-UHFFFAOYSA-N	302.309	1.396	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@@H]1CCCC12OCCO2	807080009	MCZIHIJCFVQMAZ-AWEZNQCLSA-N	318.373	1.228	50	20	DDGD	
Cc1ccoc1CNC(=O)NNC(=O)c1cccc(N(C)C)c1	292163311	VIWIAGNNJORKGJ-UHFFFAOYSA-N	316.361	1.798	50	20	DDGD	
CC1(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)CCOCC1	803434430	GZKPBZBJVURKNA-UHFFFAOYSA-N	301.346	1.788	50	20	DDGD	
CCn1cc(CC(=O)NNc2ccc([N+](=O)[O-])cc2C)cn1	805377514	CCWWNFHEBHBEHF-UHFFFAOYSA-N	303.322	1.805	50	20	DDGD	
CC(C)Cn1ncc(NC(=O)NNC(=O)C2CC2)c1C1CC1	806814793	HKOVAEJSSMPTQG-UHFFFAOYSA-N	305.382	1.979	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H](O)c1ccccn1	805383617	JCHSWJAEAISQTR-ZDUSSCGKSA-N	302.290	1.475	50	20	DDGD	
O=C(NNc1cccnn1)C1CCC(OC[C@H]2CCCO2)CC1	816067869	CAHBDNJASFBHBT-JXQTWKCFSA-N	320.393	1.674	50	20	DDGD	
CCS(=O)(=O)CC(C)=NNC(=O)Nc1cc(F)cc(F)c1	815005658	PDWMZWJQMJIXJY-UHFFFAOYSA-N	319.333	1.897	50	20	DDGD	
CCC[C@@H](CCCS(C)(=O)=O)C(=O)NNC(=O)CC1CC1	819125919	FWXFYOGVNFDCNX-LBPRGKRZSA-N	318.439	1.175	50	20	DDGD	
COc1cc(C(=O)NN(C)C2CC2)cnc1Br	819651426	LJOPGRLSAQBHQF-UHFFFAOYSA-N	300.156	1.592	50	20	DDGD	
Cc1nn(C)c2ncc(C=NNC(=O)N=c3cc[nH]cc3)cc12	815003828	LZXPIFYOBDUUFD-UHFFFAOYSA-N	309.333	1.249	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ncsc1C(C)C	811266823	PSAIBHWOTAUTFB-MRVPVSSYSA-N	313.379	1.369	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)COc1ccc(C)c(C)c1	811630102	AJBKCDIYPHLYEI-CQSZACIVSA-N	317.389	1.843	50	20	DDGD	
COc1cnc(C(=O)NNC(=O)c2ccc(Cl)cc2)nc1	814698904	CFWHINCSVNJYPC-UHFFFAOYSA-N	306.709	1.213	50	20	DDGD	
O=C(NNC(=O)C1CCC(OC[C@@H]2CCCO2)CC1)C1CCC1	815551731	GEPFSEWXGBOOTJ-NRXISQOPSA-N	324.421	1.688	50	20	DDGD	
COc1cccc([S@@](=O)CC(=O)NCCSSC)c1	819527623	BUHIQBJMWYDPCR-IBGZPJMESA-N	319.473	1.930	50	20	DDGD	
COc1ccc(NNC(=O)c2ccnc(-c3ncc[nH]3)c2)nc1	816332230	NAFZPXGZTGSAQM-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)c2csc(N3CCOCC3)n2)C1	814750269	ZMKKUWBCXHXYLP-JTQLQIEISA-N	308.407	1.886	50	20	DDGD	
COCCN1[C@H]2CC[C@H]1CC(=NNC(=O)NC1CCCC1)C2	814818905	ONFNKIAJTZFLBJ-GJZGRUSLSA-N	308.426	1.857	50	20	DDGD	
C[C@H](C(=O)O)N(C)S(=O)(=O)c1ccc(CCCl)cc1	817784826	LAKLHMYEAYRSQH-SECBINFHSA-N	305.783	1.562	50	20	DDGD	
CN(C)CCCCC(=O)NNC(=O)Cc1c[nH]c2ccccc12	729284518	XHPZEQMVADJUIP-UHFFFAOYSA-N	316.405	1.590	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(-c3nn[nH]n3)cs2)nc(C)n1	822209597	PIHCKHNOYLBVTE-UHFFFAOYSA-N	316.350	1.092	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H]1C[C@]12CCOC2	822732490	YZCDOZNFYRWALQ-VFZGTOFNSA-N	308.309	1.482	50	20	DDGD	
CCN(CCO)NC(=O)C1CCC(OC[C@H]2CCCO2)CC1	823889310	QSNRMALWADRHIR-YMAMQOFZSA-N	314.426	1.086	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1	827269625	ZGPPKKZGUHLWQA-SNIKSBKOSA-N	307.394	1.130	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(OCC(F)(F)F)cn1	496320790	GDKKJWUEZKULHI-UHFFFAOYSA-N	307.228	1.414	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@H](CO)c1ccc(OC)cc1	491007132	FRCASUSFOOHXDW-YPDDLIOESA-N	304.346	1.331	50	20	DDGD	
Cc1ccc(C(=O)N[C@H](C(=O)NN(C)[C@H](C)CO)C(C)C)cc1	823988713	VWSKVLGIFFTHNU-HIFRSBDPSA-N	321.421	1.093	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@@H](CO)c1ccc(OC)cc1	491007129	FRCASUSFOOHXDW-CMPYXILNSA-N	304.346	1.331	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(CCO)Cc1cccnc1Cl	490662522	BJXFDHZIYZAXGT-ZRDIBKRKSA-N	309.753	1.500	50	20	DDGD	
C[C@H]1NCC[C@H]1C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	829522270	AZXRCFLEXRRPGP-LDYMZIIASA-N	321.768	1.831	50	20	DDGD	
O=C(COc1ccccc1)NNc1ccc(-c2nn[nH]n2)cc1	826418697	SDGGCSGFTQXAJU-UHFFFAOYSA-N	310.317	1.389	50	20	DDGD	
Cn1nncc1/C=C(/C#N)C(=O)NCc1ccc(F)cc1F	490978371	WBWRQXDEVRFFEK-WMZJFQQLSA-N	303.272	1.317	50	20	DDGD	
OCC[C@@H](NCc1ccccc1B(O)O)c1ccc(Cl)cc1	585040512	MAOKJNHMODQDSU-MRXNPFEDSA-N	319.597	1.233	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2	825535033	YHZDZQVPFAELHK-VZKILSJISA-N	309.410	1.567	50	20	DDGD	
CCC(CC)N(CCOC)C(=O)/C(C#N)=C\c1cnn(C)c1	491047069	ICQBRMVWLLFBDO-ZROIWOOFSA-N	304.394	1.991	50	20	DDGD	
Cc1ccc(/C=C(/C#N)C(=O)OC[C@H]2CN(C)C(=O)O2)cc1	495729622	MPZXRCJUMCUUKK-SVSAJMPUSA-N	300.314	1.896	50	20	DDGD	
Cc1ccc([C@@H](C)NCc2ccc(B(O)O)cc2F)c(C)c1	585017398	WOBCNSHANDEHBE-CYBMUJFWSA-N	301.170	1.973	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CC[C@@H]2OCC[C@@H]2C1	825551397	IOSRCBQRUGPNOD-OCCSQVGLSA-N	303.362	1.460	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1ccc(C#N)cn1)c1ccccc1	731174873	NZLSLRDHJFNURM-UHFFFAOYSA-N	308.341	1.692	50	20	DDGD	
COC(=O)CSCCNC(=O)[C@@]1(C)C[C@H]1Br	906582843	QOURBZJLBMKXHV-XCBNKYQSSA-N	310.213	1.182	50	20	DDGD	
CC(C)(C)OC(=O)NCCOCC(=O)NNc1ccccc1	732574812	AUVQLCBYCHJMEC-UHFFFAOYSA-N	309.366	1.671	50	20	DDGD	
OB(O)c1ccccc1CN[C@H]1CCSc2ccc(F)cc21	585014794	DVIXLPIEHMCSCW-HNNXBMFYSA-N	317.194	1.832	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@]1(CC(=O)O)CCOC1	909698558	LRLCDTOYOZOPNU-CABZTGNLSA-N	322.199	1.546	50	20	DDGD	
CC(=NNC(=O)c1c[nH]nc1C)c1ccc(-n2cncn2)cc1	735411718	QZKQZHJFPYYXIE-UHFFFAOYSA-N	309.333	1.453	50	20	DDGD	
CCOCC(=O)NN=Cc1cc(C)n(-c2cc(C)on2)c1C	731153863	IKQCCHDINFVTCY-UHFFFAOYSA-N	304.350	1.877	50	20	DDGD	
CCC(O)(CC)C(C)(C)CNCc1ccc(B(O)O)cc1F	585047111	HGCMWZPSIYKIFA-UHFFFAOYSA-N	311.206	1.172	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21)c1cccc2ccccc12	906790931	QSNDERJTAPTQLE-CWRNSKLLSA-N	308.337	1.826	50	20	DDGD	
CCC(CC)c1cc(C(=O)Nc2cccc(B(O)O)c2)on1	584913557	ZGROJIHLZQHEEY-UHFFFAOYSA-N	302.139	1.510	50	20	DDGD	
Cn1cc(CCCNC(=O)[C@@]2(C)C[C@@H]2Br)cn1	906516514	KJXZRBRYUWGERW-JQWIXIFHSA-N	300.200	1.642	50	20	DDGD	
C[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1cccc(B(O)O)c1	584968424	KWXDMKRIPJIFKF-PXAZEXFGSA-N	309.174	1.420	50	20	DDGD	
C=CCN(CC1CCCCC1)C(=O)c1ccc(B(O)O)cc1	584946414	ZRIRKGCAFKSWTM-UHFFFAOYSA-N	301.195	1.575	50	20	DDGD	
Cc1cc([C@@H](C)NC(=O)c2cccc(B(O)O)c2)c(C)s1	584931048	IQGOYATWIIIJQH-SNVBAGLBSA-N	303.192	1.536	50	20	DDGD	
Cc1ccc(SCCC(=O)NNC(=O)c2ncon2)cc1C	832825962	NBDLXVDVWMJQBO-UHFFFAOYSA-N	320.374	1.630	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)C1(C(F)(F)F)CCC1	831754167	JCPUJGBDSIZOAF-UHFFFAOYSA-N	307.194	1.612	50	20	DDGD	
CC[C@](C)(CNC(=O)NNC(=O)CCc1ccccc1)OC	836579811	PYYPFVRYGHJKAE-MRXNPFEDSA-N	307.394	1.765	50	20	DDGD	
CCC(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)cc1	833246794	RROKKIOEYXLSGI-CQSZACIVSA-N	304.346	1.609	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2CCO[C@@H](C)C2)ccc1F	837035708	GKPPGZBKNKRVMN-VHSXEESVSA-N	310.325	1.871	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1F)NC(CF)CF	836530197	TXOHUCHWDCVOOQ-UHFFFAOYSA-N	309.675	1.731	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@]2(C)C[C@H]2Br)CC[S@](=O)C1	907748316	BHZRGOIVJOZCFW-IFTYCBKQSA-N	308.241	1.387	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21	906539702	JAWHKSHQSMDOOI-UHOFOFEASA-N	300.358	1.382	50	20	DDGD	
O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cc(B(O)O)ccc1F	584926435	OEVMQVFMQCHNSZ-OUCADQQQSA-N	319.185	1.594	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)nc1Cl	833243623	VKOSSKYTYQWCBH-SNVBAGLBSA-N	313.741	1.074	50	20	DDGD	
CO[C@H](CNC(=O)NNc1cccc(C#N)c1)C(F)(F)F	733661665	WKMRFYNYISCDBI-SNVBAGLBSA-N	302.256	1.762	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNC(=O)[C@H](CC)c1ccccc1	839677684	UTBDWBZZBAMKPD-ZIAGYGMSSA-N	320.389	1.917	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)C#CC(C)(C)C)c1	838373166	YHQZVEOXNWECAW-UHFFFAOYSA-N	316.357	1.349	50	20	DDGD	
CCc1ccccc1-n1cc(C(=O)NNC(=O)CC2CC2)nn1	839780183	QPEQIHAGEDAQDE-UHFFFAOYSA-N	313.361	1.391	50	20	DDGD	
CC[C@H](COC)NC(=O)NNc1ccc(F)c(C(=O)OC)c1	838486509	RCMTYPBDTBFMRB-SECBINFHSA-N	313.329	1.663	50	20	DDGD	
CCOC1(C(=O)NNc2ncnc3ccsc23)CCOCC1	830431036	QUXSOWDLRBAURH-UHFFFAOYSA-N	322.390	1.720	50	20	DDGD	
Cc1ccc(-c2nc(C=NNC(=O)NCC(=O)O)cs2)cc1	833746558	KIXNBYXANPEPNQ-UHFFFAOYSA-N	318.358	1.836	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2Cc3ccccc3NC2=O)C[C@@H]1Br	913157776	OXAGYDKJFDVTFR-SUNKGSAMSA-N	323.190	1.840	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)C1CCCC1	914843160	AGNMBCUDTDSSCW-QMTHXVAHSA-N	304.346	1.553	50	20	DDGD	
C[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)C1CCC1	838393903	HIIXCOSZQGWWJA-NSHDSACASA-N	304.346	1.427	50	20	DDGD	
CC(C)C(=O)NNC(=O)NC1CCN(Cc2ccncc2)CC1	918227039	QBNKHHZPPABFGM-UHFFFAOYSA-N	319.409	1.032	50	20	DDGD	
CC[C@@H](C)n1nc(NC(=O)NNC(=O)[C@H]2CCCCO2)cc1C	836495964	VBFXAUGELUEZFU-ZYHUDNBSSA-N	323.397	1.884	50	20	DDGD	
CN1CCC[C@H](NC(=O)NNc2cc(F)c(F)c(F)c2)C1=O	748665245	UDNZJABOTZZMOJ-JTQLQIEISA-N	316.283	1.351	50	20	DDGD	
O=C(NNC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1)NC1CC1	748702354	ISMNFRGZHGVOJD-UHFFFAOYSA-N	312.329	1.352	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1=Cc2ccccc2OC1	843644977	PXAWFECQJIUTQO-MFKMUULPSA-N	302.330	1.035	50	20	DDGD	
COc1cc(OC)c(C=NNC(=O)[C@H]2CCO[C@@H]2C)c(OC)c1	842560036	WNIJLUCLHDEKPH-PWSUYJOCSA-N	322.361	1.588	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc2c1OC(C)(C)C2	847094496	BGYNBAAVJYYOEW-ZYHUDNBSSA-N	318.373	1.586	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1F	841233477	VJWPFEYMXGORDL-UHFFFAOYSA-N	320.271	1.319	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])o1	743426914	GDTNNOIVGNIAHB-UHFFFAOYSA-N	314.257	1.589	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCn2cccn2)c2ccccc21	918209033	OICULNYITNOOJC-UHFFFAOYSA-N	311.345	1.226	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1cccc(C2CC2)c1	843659907	KEXQZFPJTJLFBK-NHYWBVRUSA-N	302.374	1.679	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1C(=O)Nc2c1cccc2C(C)C	841617573	YTJHALHXMLOOGK-UHFFFAOYSA-N	316.361	1.107	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)NC1CCN(CC2CC2)CC1	918083896	OOXMEIGPHYVQFO-UHFFFAOYSA-N	308.426	1.381	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1ccccc1O)C1CCOCC1	746425167	DUISVPNCZSADMH-ZDUSSCGKSA-N	321.377	1.541	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc(C(=O)OC)c(F)c1	849176476	OIKUZTBXGCGAFH-WQLSENKSSA-N	320.320	1.672	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNc1ccnc(N(C)C)n1	740104443	LBHLSPPAIRHDLY-IJLUTSLNSA-N	306.414	1.247	50	20	DDGD	
OC[C@@H]1CN(Cc2ccc(OCCCCl)cc2)CC[C@H]1O	840974535	CISBUUXWHMJYHA-GOEBONIOSA-N	313.825	1.869	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	843276348	AYINBESOMLLKOL-SKDRFNHKSA-N	309.391	1.438	50	20	DDGD	
N[C@@H]1CCC[C@H](NC(=O)NNC(=O)CCc2ccccc2)C1	841981373	ALNRZTPRELGDEZ-KGLIPLIRSA-N	304.394	1.220	50	20	DDGD	
COc1cccc(F)c1C(=O)NNC(=O)c1ccc(C#N)cc1	746186035	VHLJDGZWALDRBL-UHFFFAOYSA-N	313.288	1.781	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1C	842587071	VDPYFUMYBVMUHA-DGCLKSJQSA-N	312.391	1.038	50	20	DDGD	
C[C@H](Cc1ccccc1)NC(=S)NNC(=O)[C@H]1CCCCO1	840776050	SXXSHRXULYKAEZ-TZMCWYRMSA-N	321.446	1.682	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@H](C)C(=O)OC(C)(C)C)n1	847427317	RNNXGUJTMMSBIK-VIFPVBQESA-N	323.397	1.697	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H](N)C(C)C)c1F	841944219	DIGSMLXOKDUPOP-JTQLQIEISA-N	312.345	1.222	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1	846643046	KRYIJLDKSZYGNK-SECBINFHSA-N	307.325	1.288	50	20	DDGD	
Cc1cc(F)c2nc(O)cc(C(=O)NN(C)C[C@@H](C)O)c2c1	910152907	WXJJCWKEOWIEOZ-SECBINFHSA-N	307.325	1.345	50	20	DDGD	
CC(C)(C)c1cccc(C(=O)NNC(=O)N2CCOCC2)c1	847402658	IRTHTQUFBRIRED-UHFFFAOYSA-N	305.378	1.671	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccc2ccccc2n1)c1cnn(C)c1	749855879	XSRMXIJZPKOKKV-LLVKDONJSA-N	323.356	1.533	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NOCc2cccnc2)c1	746722405	QJFZQCKLZRZARM-UHFFFAOYSA-N	311.301	1.029	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1ccc(Cl)s1	843648094	VWAJLJLCFVFQMJ-SCZZXKLOSA-N	316.810	1.907	50	20	DDGD	
COC/C(C)=C/C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	846095012	XCCPKJLZPDDBPQ-PKNBQFBNSA-N	306.366	1.498	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1ccc(Br)o1	842557427	DLRDNJFBAKQGQD-IONNQARKSA-N	301.140	1.917	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)cc2s1	843658251	UCBDMPJJVUEUGW-KCJUWKMLSA-N	319.386	1.791	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)NCC(C)(C)N)c1C	841951183	STCOEUXWJLKTTC-LBPRGKRZSA-N	322.409	1.138	50	20	DDGD	
CCCCCCO[C@H](C)C(=O)NNC(=O)N1CCOCC1	840299646	WXJKXVCORUFOCV-GFCCVEGCSA-N	301.387	1.045	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1ccc2c(c1)CCC(=O)N2	920829389	DVWMCUWSPSFHTK-UHFFFAOYSA-N	318.377	1.631	50	20	DDGD	
C[C@@H]1COC[C@H]1NC(=O)NNc1ccc(OC(F)F)cc1	926001556	SHOKMHDWPLBSFF-LDYMZIIASA-N	301.293	1.949	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=C1CCCn2ccnc21	848400398	GLSZXQCBZTVEFD-UHFFFAOYSA-N	309.329	1.448	50	20	DDGD	
CCOC(=O)C[C@H]1CCCCC1=NNC(=O)N1CCOCC1	754940755	ALXMHDDUAZRAQJ-GFCCVEGCSA-N	311.382	1.528	50	20	DDGD	
O=C(NNc1ccncn1)C1CCC(OC[C@@H]2CCCO2)CC1	857521685	NYZDQAJOGKFQAG-RUXDESIVSA-N	320.393	1.674	50	20	DDGD	
COCCCNC(=O)NN=Cc1c(OC)nc2sccn12	920829995	ONMZPXWALOBRNI-UHFFFAOYSA-N	311.367	1.074	50	20	DDGD	
CC1(C(=O)NNc2nc(O)c3ccccc3n2)CCOCC1	758310517	GBPXWGRCAQGPEM-UHFFFAOYSA-N	302.334	1.595	50	20	DDGD	
CSCC1(CC(=O)NNC(=S)N[C@@H](C)C2CC2)CC1	855094620	CNJGTEWQLQGOOC-VIFPVBQESA-N	301.481	1.814	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)[C@H]1CCc2ncncc2C1	857359111	RILNBSAWAIKPPA-QMMMGPOBSA-N	304.741	1.168	50	20	DDGD	
Cc1nc(-c2ccccc2NC(=O)NNC(=O)CC2CC2)no1	755956210	HAUAWYCNWXYESQ-UHFFFAOYSA-N	315.333	1.998	50	20	DDGD	
C[C@@H]1CCOCCN1C(=O)NC[C@]1(C)C[C@H]1Br	856903282	NJVPGDSFZYVOEC-FOGDFJRCSA-N	305.216	1.980	50	20	DDGD	
N[C@H]1C[C@H](C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)C1	852839466	GAYHKUWDWZIUNB-CZMCAQCFSA-N	307.741	1.570	50	20	DDGD	
Cn1nncc1NNC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C	857271151	CDIDUTVCEUSIMN-JTQLQIEISA-N	324.385	1.048	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(-c2ccccc2)nn1	757663125	IMEPLDYFZHTUFN-UHFFFAOYSA-N	315.333	1.333	50	20	DDGD	
CCC[C@H](O)C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	929341096	KUMAUHORNLVHSW-ONGXEEELSA-N	310.419	1.795	50	20	DDGD	
C[C@]1(CNC(=O)NC2(CO)CCCC2)C[C@H]1Br	856951950	ADWJPVJFORDAGF-MWLCHTKSSA-N	305.216	1.764	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)c1ccc(Cl)nc1Cl	751263950	QIUXRPRRVRHJKP-UHFFFAOYSA-N	312.178	1.354	50	20	DDGD	
C[C@H](NC[C@@]1(C)C[C@H]1Br)C1CCS(=O)(=O)CC1	857062820	FROBXHNKUDJKDZ-MVWJERBFSA-N	324.284	1.963	50	20	DDGD	
C[C@@]1(CCC(=O)NNc2cccc([N+](=O)[O-])c2)CCC(=O)N1	753431124	RYTMWRBYEUIOFI-AWEZNQCLSA-N	306.322	1.487	50	20	DDGD	
C[C@@]1(CNC(=O)NCCCc2nc[nH]n2)C[C@@H]1Br	856960012	LDLFPRCMHQVXCL-KWQFWETISA-N	316.203	1.210	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCCO1	756079833	XTEJUTGKYJYEST-CQSZACIVSA-N	322.321	1.108	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCO2)NN=c1cc[nH]cc1Cl	757419198	OINUYCYYPAHMGT-UHFFFAOYSA-N	303.749	1.778	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc2[nH]c3c(c2c1)CN(C)CC3	854214356	JDWHEEITACODSV-UHFFFAOYSA-N	314.389	1.573	50	20	DDGD	
Cc1nnc([C@H](C)N[C@H](C)C(=O)NNC(=O)CC(C)C)s1	759885599	KXNZHZNKECNCEA-BDAKNGLRSA-N	313.427	1.079	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@](C)(O)Cc1ccccc1)C1CC1	855100765	IQYWDLBUCCNJLE-BDJLRTHQSA-N	321.446	1.274	50	20	DDGD	
CCOCCn1cc(C(=O)NNc2ncncc2Cl)cn1	857186210	RMISUTJULZTULI-UHFFFAOYSA-N	310.745	1.120	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CO[C@H](C)C2)c1C	854204939	GBBKBSCFHARJNY-MWLCHTKSSA-N	307.350	1.585	50	20	DDGD	
C=C(CBr)CN1CCN(S(=O)(=O)C2CC2)CC1	859485076	TVRXCDWWYIJTKK-UHFFFAOYSA-N	323.256	1.047	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCc2ccon2)cc1OC	854180721	PUXCEUYBTZISBR-UHFFFAOYSA-N	319.317	1.086	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)NC1CCN(C2CC2)CC1	856834864	OPQHRJMTXGMQFR-UHFFFAOYSA-N	310.789	1.383	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)C(F)(F)C1(O)CCCC1)C1CC1	855099809	OEOWLGHJNOFPNH-MRVPVSSYSA-N	321.393	1.221	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2ccc(Cl)cn2)[C@@H]1OC	852264895	RMRPSNITUFHHSR-UMNHJUIQSA-N	314.773	1.554	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H](C)C[C@H]2CCOC2)c1	858299447	WENJRYNINJPZHI-WDEREUQCSA-N	311.407	1.816	50	20	DDGD	
NC(=O)c1ccc(CC(=O)NNc2ccc(F)cc2F)cc1	754218463	YSDOXWRFLCIHBG-UHFFFAOYSA-N	305.284	1.750	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)c2c[nH]nc2C)cc1F	756143760	UKEFKMKNXZAACA-UHFFFAOYSA-N	321.312	1.722	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)[C@H]2CCC(=O)N2)c(C)c1	863151645	QCEGAIFWYJYQDK-CQSZACIVSA-N	303.362	1.513	50	20	DDGD	
CCN(C)C(=O)COC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	869462724	XJSGDSWNDKYLCT-OUJBWJOFSA-N	318.211	1.962	50	20	DDGD	
CC(C)Sc1ccccc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1	862452122	JLSYWCIXDPDECU-NSHDSACASA-N	321.402	1.227	50	20	DDGD	
CCOC(=O)CCSCC(=O)NNC(=O)c1cccc(C)c1	865378681	XKKPPGHZEOIDNF-UHFFFAOYSA-N	324.402	1.442	50	20	DDGD	
CCCN(CCC)C(=O)CCC(=O)NN[C@@H](C)C(F)(F)F	862312248	HQBZAMQSSVYZKN-JTQLQIEISA-N	311.348	1.987	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CCSC1	761803802	FVNJAFIXFAXBGX-UWVGGRQHSA-N	312.366	1.494	50	20	DDGD	
Cc1ccc(NCc2ccc(B(O)O)cc2)cc1OC(F)F	864023352	UHAOPQNNJAWGFT-UHFFFAOYSA-N	307.105	1.888	50	20	DDGD	
CN(NC(=O)[C@H]1CCCN(CC(F)F)C1)C(=O)OC(C)(C)C	868857560	UAAZQINUZHOMEQ-JTQLQIEISA-N	321.368	1.862	50	20	DDGD	
CNc1nc(C(=O)NNC(=O)c2cccc(Cl)c2)cs1	762152290	ULQZJTAYLGKUAC-UHFFFAOYSA-N	310.766	1.913	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)[C@@H]1CCSC1	762130024	FZBKFJQDQFVCDT-SECBINFHSA-N	315.489	1.539	50	20	DDGD	
CC(C)n1ccc(C(=O)NNCC(F)(F)C(F)(F)F)n1	863096227	ZVOGQHDGPBEUQE-UHFFFAOYSA-N	300.231	1.896	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CCn2nc(C)cc2C)c1	862475792	XPOFTXDLVSKXQP-UHFFFAOYSA-N	306.391	1.721	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CCC(=O)NN[C@H](C)C(F)(F)F	862308365	DELKEMXCOXRCOA-ZCFIWIBFSA-N	309.248	1.061	50	20	DDGD	
COc1cccc([C@@H](OC)C(=O)NN=c2cc[nH]c(C)c2)c1	862516466	RXPKOKRLUXBREH-OAHLLOKOSA-N	301.346	1.651	50	20	DDGD	
OB(O)c1cccc(-c2noc(-c3ccnn3CC3CCC3)n2)c1	867053503	FTUBHJHJTZPABX-UHFFFAOYSA-N	324.149	1.080	50	20	DDGD	
COC(=O)C12CC(C(=O)NNC(=O)c3cc(C)cs3)(C1)C2	862480440	VVFAHPJJXYUHLM-UHFFFAOYSA-N	308.359	1.161	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ncc2n1CCCC2	865652441	BPPYMMUDUNXYAJ-UHFFFAOYSA-N	314.345	1.303	50	20	DDGD	
CCOCC(=O)NN=Cc1c(O)cccc1Br	863091026	KNTHHMNIKFDWHB-UHFFFAOYSA-N	301.140	1.641	50	20	DDGD	
Cc1ccc2c(c1)C(=NNC(=O)CNC(=O)c1cccnc1)CC2	763200158	WULQHZRFLCAYRX-UHFFFAOYSA-N	322.368	1.587	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccccn1)c1cccc([N+](=O)[O-])c1	761383495	BICFOKVDIJJZFZ-JTQLQIEISA-N	314.301	1.555	50	20	DDGD	
CCCc1ccc(NC(=O)NNC(=O)COCCOC)cc1	878013578	AEQFULAZFXZBBT-UHFFFAOYSA-N	309.366	1.455	50	20	DDGD	
CCn1nncc1C(=O)NNC(=S)Nc1cc(C)ccc1C	873756748	QWJJZGMEKMVWJG-UHFFFAOYSA-N	318.406	1.546	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)CC[C@@H]1CCCO1	873767277	CLOKXQBVNZVQGX-NSHDSACASA-N	323.418	1.972	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NNC(=S)NC(C)C	1116632534	BUHBGGOBELOGIV-RYUDHWBXSA-N	301.456	1.876	50	20	DDGD	
COC(=O)Cn1ccc(NC(=O)NNc2cccc(C#N)c2)n1	770035814	XBSGRYUGJOYDLB-UHFFFAOYSA-N	314.305	1.076	50	20	DDGD	
Cc1ccc(F)cc1C(=O)C(=O)NNc1nncc(N)c1Cl	1116529988	BMYNUEQKAFAVEE-UHFFFAOYSA-N	323.715	1.486	50	20	DDGD	
Cc1nc(O)nc(O)c1NC(=O)[C@@H](Br)C(C)(C)C	778964869	MVJKUVFWXQVXSU-SSDOTTSWSA-N	318.171	1.944	50	20	DDGD	
CC(C)(C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1CCCCO1	872388276	MOYSURDHRQRTJA-ILXRZTDVSA-N	323.437	1.547	50	20	DDGD	
CCn1nccc1C(=O)NNc1ccnc(Br)c1	775897687	AGBXBJWNKNNGPN-UHFFFAOYSA-N	310.155	1.817	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)c1cc[n+]([O-])cc1	771553956	RQRJORNEVOHBSB-UHFFFAOYSA-N	309.123	1.234	50	20	DDGD	
Cc1cn2ccc(C(=O)NNC(=O)NC3CCCC3)cc2n1	874244545	LVRHDCLATKXIBN-UHFFFAOYSA-N	301.350	1.529	50	20	DDGD	
Cc1cc(C(=O)NNc2nncc(N)c2Cl)cc(Cl)n1	1116678471	AENLTGTYHRZXKK-UHFFFAOYSA-N	313.148	1.826	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)N[C@@H]1COCC[C@H]1O	871187832	JITHPEJDGVGZEK-IJLUTSLNSA-N	305.465	1.967	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1sc(Cl)nc1C	772186693	OXHXRRWPUNDDCT-ZCFIWIBFSA-N	319.770	1.208	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)CN(C)C)cc1OCC	775449336	BPLYZBYOOJKXIF-UHFFFAOYSA-N	324.381	1.198	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1cccc(-c2nnco2)c1	775530452	YNMQTTFOJHBAQJ-UHFFFAOYSA-N	323.312	1.818	50	20	DDGD	
C[C@H]1CC[C@H](C(=O)NNC(=O)Cc2cn3ccccc3n2)C1	776334504	SRDNFROOCVVNSX-RYUDHWBXSA-N	300.362	1.460	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H]2COc3cc(F)ccc3C2)cc[nH]1	875741240	ZHQILRLPQBPDSO-AWEZNQCLSA-N	316.336	1.581	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CNC(=O)c1cccs1	772865858	BMNHTSCQGZSEAV-UHFFFAOYSA-N	319.390	1.535	50	20	DDGD	
CCC(CC)[C@@H]1C[C@H](NC(=O)NN(C)C(=O)OC)CCO1	875465808	DHNCEBAYDLMKSZ-NEPJUHHUSA-N	301.387	1.883	50	20	DDGD	
O=C(NNC(=O)C12CCCN1CCC2)c1cccc(Cl)n1	1119655757	NVLMEXMEFMKFCZ-UHFFFAOYSA-N	308.769	1.124	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccccc1OC(C)C	772089122	GFBMQZRHZUXWQE-NSHDSACASA-N	322.361	1.577	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@@H](C)n2ccnc2)cc1O	882052180	YKWJXOONWSUAKK-LLVKDONJSA-N	302.334	1.309	50	20	DDGD	
CN1C(=O)CCc2cc(C=NNC(=O)Cc3cccnc3)ccc21	774384309	CDVBCWNAIYHKFC-UHFFFAOYSA-N	322.368	1.683	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1c[nH]c(C#N)c1	779151943	AOOXPTKWBRJDOG-UHFFFAOYSA-N	312.329	1.289	50	20	DDGD	
CC(C)[C@@H](NC1CCOCC1)C(=O)NNc1ccc(F)cn1	881463214	KWONOTRHTDDUFH-CQSZACIVSA-N	310.373	1.457	50	20	DDGD	
CC(C)(C)C(=O)Nc1nccnc1C(=O)NNc1ccccn1	777469152	YLDZLXRIDQENQY-UHFFFAOYSA-N	314.349	1.613	50	20	DDGD	
CN(C(=O)NC[C@@]1(C)C[C@H]1Br)[C@@H]1CCC[C@H]1O	889410952	IVABQENSQTXTSJ-DNRKLUKYSA-N	305.216	1.715	50	20	DDGD	
O=C1C[C@@H](NS(=O)(=O)CCCCl)CN1C1CCCCC1	881997475	GYPIHSALSJSFHI-LLVKDONJSA-N	322.858	1.468	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)NC[C@@H]1C=CCC1	883781513	MVGTUPZNMRVQJT-LLVKDONJSA-N	321.402	1.781	50	20	DDGD	
COc1cccc(C(C)(C)C(=O)NNC(=O)c2cccnn2)c1	882055764	UNZMZMRLDGWJBD-UHFFFAOYSA-N	314.345	1.224	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NC[C@H]2C=CCC2)cc1	883778576	CWPZEWUPXWISGX-AWEZNQCLSA-N	317.389	1.924	50	20	DDGD	
COC1(C(=O)NNC(=O)c2ccc(Cl)cc2F)CCC1	781703337	GWQXOEBLKQZZMX-UHFFFAOYSA-N	300.717	1.809	50	20	DDGD	
C=C[C@](C)(CC)C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	785761138	HRFRDCDSIVXXNQ-QGZVFWFLSA-N	318.373	1.902	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cccc2c1OCC2(C)C	789935566	KLOIPNNWTKSNMN-UHFFFAOYSA-N	314.345	1.463	50	20	DDGD	
CCNC(=O)N(C)NC(=O)COc1cccc2ccccc12	780706762	RZUFPRPPUOMOLU-UHFFFAOYSA-N	301.346	1.911	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2ncncc2Cl)c1F	782165481	GDEPJGCKIYAICL-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
CCCSc1ccc([N+](=O)[O-])cc1C(=O)NN(C)C(N)=O	781001758	ITPWMHSIQBBWKA-UHFFFAOYSA-N	312.351	1.752	50	20	DDGD	
CC1(C)CCN(CCNC(=O)NNC(=O)OC(C)(C)C)C1	898597130	BQZISHFBDOOIFI-UHFFFAOYSA-N	300.403	1.457	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2cnc(C)n2C)c1	899939810	XAZUGEIUUJFFFC-UHFFFAOYSA-N	316.361	1.185	50	20	DDGD	
COc1ccc(NNC(=O)C[C@H]2OC(=O)c3ccccc32)nc1	781519875	ZLQCOPSWZILHEF-CYBMUJFWSA-N	313.313	1.835	50	20	DDGD	
C#CCCCCCC(=O)NNC(=O)CNc1ccc(OC)cc1	780327820	DUZWDTOEDMZAAB-UHFFFAOYSA-N	317.389	1.838	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccccc1-c1ccno1	782250996	FTNFOYCOGIBOMF-SNVBAGLBSA-N	323.374	1.697	50	20	DDGD	
COc1cccc(NNC(=O)c2cc(OC)c(O)c(OC)c2)n1	780769488	KFVORMRIBDSMIT-UHFFFAOYSA-N	319.317	1.570	50	20	DDGD	
N#C/C(=C/c1ccccc1)C(=O)OC[C@@H]1CCS(=O)(=O)C1	788996959	KAFQVCAUMDLBIQ-IAOKNECISA-N	305.355	1.571	50	20	DDGD	
COc1ccc(NNC(=O)COc2ccccc2[N+](=O)[O-])nc1	781533663	LHYYDWFMZDYZJQ-UHFFFAOYSA-N	318.289	1.521	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCCc2ccc(O)cc21	794485812	LLWADFQAEKWGLE-UHFFFAOYSA-N	301.346	1.171	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@H](OC)C2CC2)cc1OC	792027971	AZUHPRJBOZGZCF-AWEZNQCLSA-N	322.361	1.280	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cc(-c2ccco2)on1	791243670	PVYHFWJJWKPGKE-UHFFFAOYSA-N	310.273	1.734	50	20	DDGD	
COc1cc(C=NNC(=O)C(=O)Nc2ccccn2)ccc1C#N	799483785	NFDFBVPTCTWRAH-UHFFFAOYSA-N	323.312	1.051	50	20	DDGD	
O=C(CCc1cnccn1)NNC(=O)NCCc1cccs1	793208292	WDKZKDOSYVPSEJ-UHFFFAOYSA-N	319.390	1.044	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1ccc([S@](C)=O)cc1	790173025	CGICEBJFXICCRJ-QFIPXVFZSA-N	322.434	1.105	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1cnc2[nH]nnc2c1	791147457	BFQWAABTGUYIBX-UHFFFAOYSA-N	317.240	1.157	50	20	DDGD	
CSSCCNS(=O)(=O)c1cccc2nsnc12	790348318	FDZLMDJIHMCGQF-UHFFFAOYSA-N	321.474	1.981	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc(N(C)CC)nc1	790151568	NICPFJUHHUWTCO-UHFFFAOYSA-N	305.426	1.720	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@H]2CCCCO2)cc1	1318098472	GXXYEAWATIOQQW-CYBMUJFWSA-N	307.350	1.208	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)[C@H]1CCN(C2CC2)C1=O	1261802268	FYJGCWGDHBYQOQ-AWEZNQCLSA-N	303.362	1.523	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCN2CC=CC2)cc(C#N)n1C	1319035123	HHCMYUDQONQMNL-OQLLNIDSSA-N	309.373	1.100	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C(C)c2ccnc(C)n2)c1	1320737858	LOZUBZLKHXZIAK-UHFFFAOYSA-N	314.345	1.956	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)C1CCS(=O)(=O)CC1	1320707827	OPJLQWXSJOZPAY-UHFFFAOYSA-N	303.771	1.003	50	20	DDGD	
COc1ccc(C(=O)NNc2nncc(N)c2Cl)c(C)c1	1322654860	FXESOMIRDFVOQH-UHFFFAOYSA-N	307.741	1.786	50	20	DDGD	
Nc1cnnc(NNC(=O)CCc2ccc(F)cc2)c1Cl	1322655341	LLHWBRUCMHCVDJ-UHFFFAOYSA-N	309.732	1.927	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H](C)c2noc(C)n2)c1	1326950727	XLNGZUFFLLNYJG-QMMMGPOBSA-N	319.321	1.552	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@H]1CC12CCSCC2	1324721746	RZEMWUNULYBDPW-SECBINFHSA-N	319.521	1.378	50	20	DDGD	
CC1=NO[C@@](C)(C(=O)NNC(=O)c2cccc3ncccc23)C1	1337125179	YCFOJKQEDHKLFK-MRXNPFEDSA-N	312.329	1.551	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Nc1nocc1C	1254737040	OSNQKFUTKPJQJP-UHFFFAOYSA-N	304.306	1.387	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)CCCc1ccccc1	1337112580	AHPALQGSZABGGE-HUUCEWRRSA-N	304.390	1.972	50	20	DDGD	
O=C(CC1CC(F)(F)C1)NNC(=O)c1ccc(Cl)nc1	1330532064	BWWNAGJGNHZXJL-UHFFFAOYSA-N	303.696	1.931	50	20	DDGD	
COCCn1c(C)cc(C=NNC(=O)c2cccnn2)c1C	1333657657	VDQPQTFELNMSIA-UHFFFAOYSA-N	301.350	1.305	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2ccc([S@](C)=O)cc2)cs1	1339943374	ZPYXIOAENAZJPK-NRFANRHFSA-N	321.427	1.882	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)n1cccc1	1330946252	SSJJOHZXZDSGSW-GFCCVEGCSA-N	322.409	1.139	50	20	DDGD	
CN(C)C[C@@]1(O)CCN(C(=O)[C@@H](Br)C(C)(C)C)C1	1263878866	GMFXQZSYUVNAMD-MFKMUULPSA-N	321.259	1.321	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)c1ccc[nH]1)C1=CCOCC1	1346893361	SGKDFXAYUYEDIB-UHFFFAOYSA-N	306.366	1.332	50	20	DDGD	
C[C@@H]1C[C@H]2CC[C@@H](C(=O)NNC(=O)NC3CCCCC3)CN2C1	1348423329	AVRZKGRAHVRISA-UMVBOHGHSA-N	322.453	1.770	50	20	DDGD	
COc1cc2c(cc1OC)C(=NNC(=O)C1CCOCC1)CC2	1353089957	RRFGLYGXMOTHOK-UHFFFAOYSA-N	318.373	1.897	50	20	DDGD	
CC1(C)C[C@@H](NC(=O)NNC(=O)c2cn[nH]c2)c2ccccc21	1351354330	WRDKKODAEKGXJG-CYBMUJFWSA-N	313.361	1.776	50	20	DDGD	
CO[C@H]1CCC[C@H]1C(=O)NNC(=O)c1ccc2ccccc2n1	1353253700	DHCGSDGSRVPVFT-DOMZBBRYSA-N	313.357	1.811	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCCC[C@@H]1CN1CCCC1=O	1520379696	CAVUXWJXXTVZED-WUFNSSIPSA-N	305.378	1.434	50	20	DDGD	
Cc1c([C@H](C)NC(=O)NNc2cccc(C(=O)O)c2)cnn1C	1600008251	ASITXOWWAVQXEL-VIFPVBQESA-N	317.349	1.814	50	20	DDGD	
NC(=O)c1cccc(NC(=O)NNc2cccc(C(=O)O)c2)n1	1601168008	DZVFOXXWQRKGDT-UHFFFAOYSA-N	315.289	1.027	50	20	DDGD	
Cc1ccc(CC(=O)NNc2ccc(-c3nn[nH]n3)cn2)cc1	1605838425	KRJBGQDFIDHZKI-UHFFFAOYSA-N	309.333	1.256	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@H]2CC[C@@H]3CCCCN32)ccc1F	1602286743	OCUQRODPNGPHFC-SMDDNHRTSA-N	321.352	1.984	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@@H]1CC12CCOCC2	1602230999	RFQLMSKCRUQLIH-VIFPVBQESA-N	308.309	1.784	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H](C)c1ncc(C(=O)O)s1	1603761197	GZSHNCFTDYMPTB-ZETCQYMHSA-N	314.367	1.279	50	20	DDGD	
CNc1nc(C)cc(C(=O)NNc2ccc(CC(=O)O)cc2)n1	1606314738	ZNNNHMDUZKMUJD-UHFFFAOYSA-N	315.333	1.211	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2O)[nH]1	1608875170	UQBIUPFVHCMJRV-UHFFFAOYSA-N	323.692	1.147	50	20	DDGD	
O=C(O)CCc1ccccc1C(=O)NNC(=O)NCC1CC1	1602045868	YKDKQGNETVYUOW-UHFFFAOYSA-N	305.334	1.058	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(F)c(C(=O)O)c2)nn1C	1605786057	QDKUXBGYNWBKAQ-UHFFFAOYSA-N	306.297	1.577	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H]2CCn3ccnc32)cccc1C(=O)O	1600051585	UFFFGCMRUAHMMO-GFCCVEGCSA-N	315.333	1.661	50	20	DDGD	
Cc1ccc(OCC(=O)NNc2ccc(C(=O)O)cn2)cc1C	1600467765	AFBDLARWSMQJQV-UHFFFAOYSA-N	315.329	1.919	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](C(=O)O)c1ccc(F)c(C)c1	1605618479	KRBQYNONJRZBRQ-ZWXCPPHNSA-N	306.293	1.820	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2(C(=O)O)CCCCC2)c(C)o1	1605120743	QQPSZKAEVSZVCH-UHFFFAOYSA-N	308.334	1.693	50	20	DDGD	
O=C(Cc1cccc([N+](=O)[O-])c1)NNc1ccc(C(=O)O)cn1	1601366769	GQFVUFFGDUOBCD-UHFFFAOYSA-N	316.273	1.374	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@H](O)c1ccccc1	1610806331	MDXOKOYOBQLBJV-CYBMUJFWSA-N	304.277	1.701	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc2c(nc3ccccn32)s1	1548723570	VQZOLIKBDCZHOM-SECBINFHSA-N	304.375	1.506	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@@H]1C=NNC(=O)c1ccnnc1	1552453169	JQWYJDAFPIRKCG-YPMHNXCESA-N	314.349	1.094	50	20	DDGD	
O=C(C1CC1)N1CCC(NS(=O)(=O)CCCCCl)CC1	228331360	RFDGCSPXABSTOD-UHFFFAOYSA-N	322.858	1.326	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@H](I)[C@H](O)C1	158595185	KDSPYCAYQSNGNO-NKWVEPMBSA-N	313.135	1.402	50	20	DDGD	
O=C1NC[C@@H]2CN(C[C@@H](CBr)C3CC3)CCN12	859160648	JLPPZUVBGNGNSM-GHMZBOCLSA-N	302.216	1.117	50	20	DDGD	
CC[C@@H](C)C[C@@H](N)C(=O)NNc1ccc(CC(=O)OC)cc1	1576981360	KBLXSLVUHPVRNZ-BXUZGUMPSA-N	307.394	1.609	50	20	DDGD	
N[C@@H](Cc1ccccc1)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	1574263861	HENLROBHMIJGKB-LBPRGKRZSA-N	318.308	1.747	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)c1cn(C)c2ccccc12)[C@H](C)N	1575413121	JXLACVCAERXGDX-XHDPSFHLSA-N	316.405	1.559	50	20	DDGD	
CC(C)(C(=O)NNc1ncccc1C(=O)O)[C@@H]1CCCCO1	1588610022	IYWMQBKNPLBMKI-NSHDSACASA-N	307.350	1.818	50	20	DDGD	
O=C(NNc1cc(Cl)nc(Cl)c1)[C@@H]1C[C@@]12CCNC2	1580736878	AVDNSULOZXMBKH-QPUJVOFHSA-N	301.177	1.831	50	20	DDGD	
C=CCC(=O)N1CC2(CCCN2C(=O)[C@H](Cl)COC)C1	1846364664	DGJWRCVDSWCBRB-LLVKDONJSA-N	300.786	1.020	50	20	DDGD	
O=C(CCCc1ccccc1Cl)NNC(=O)[C@H]1CCCNC1	1580532684	UJXBWJNIMOYUPR-ZDUSSCGKSA-N	323.824	1.810	50	20	DDGD	
O=S(=O)(NC[C@H]1CCCCN1)c1ccc(CCl)cc1	1580868483	OHOKEMNOYCJUOG-GFCCVEGCSA-N	302.827	1.846	50	20	DDGD	
CC(C)(C#N)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1841137198	MEJIBIKFUBMYQM-SECBINFHSA-N	301.749	1.274	50	20	DDGD	
C[C@H](S)C(=O)N1CCCC12CN(C(=O)C(Cl)Cl)C2	1846371256	JQXZBNBJCHJYRN-ZETCQYMHSA-N	311.234	1.312	50	20	DDGD	
C[C@H](CBr)COC(=O)C1(CC(=O)O)CCOCC1	1588988017	PRIBDFRXGOOAQT-SECBINFHSA-N	323.183	1.832	50	20	DDGD	
CC[C@H](C)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl	1847558449	LLADALVRQWLHEV-ZDEQEGDKSA-N	316.829	1.224	50	20	DDGD	
O=C(Cc1ccc(-c2nn[nH]n2)nc1)NNc1ccc(F)cc1	1592914169	PVMOIGAUUQDNBA-UHFFFAOYSA-N	313.296	1.087	50	20	DDGD	
COCCN(CC(C)C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O	1599234803	DMBBYLJHAZVBAN-OLZOCXBDSA-N	300.399	1.513	50	20	DDGD	
CN(NC(=O)[C@H]1CCC[C@H](C(=O)O)C1)C(=O)OC(C)(C)C	1598542211	ZPKSUPICRURJEX-UWVGGRQHSA-N	300.355	1.776	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@H]1C[C@@H](C)O[C@@H]1C	1599376569	VNHCKUNXXJQTOV-FXPVBKGRSA-N	308.334	1.650	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C1CC[C@@H](C(=O)O)C1	1597179558	AUUCZKMAMAVYRH-LLVKDONJSA-N	320.345	1.821	50	20	DDGD	
Cc1cc(C=NNC(=O)C2CCOCC2)ccc1-c1nn[nH]n1	1591959441	QTILKQAPZFTZLY-UHFFFAOYSA-N	314.349	1.052	50	20	DDGD	
C[C@@H](CCCCN)NC(=O)NNc1ccc(F)c(C(=O)O)c1	1592486025	ZQXZSTPJVJMDAG-VIFPVBQESA-N	312.345	1.668	50	20	DDGD	
CCNC(=O)NN=C(C)c1cnc2ccccc2c1C(=O)O	1776039419	VLZDRGDIUWOHSO-UHFFFAOYSA-N	300.318	1.976	50	20	DDGD	
CN(C)c1ccc(C(=O)O)cc1C=NNC(=O)c1cccnn1	1776103461	KDUHGLFJPRRQIH-UHFFFAOYSA-N	313.317	1.005	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCN1C(C)(C)C)c1cncc(C(=O)O)c1	1776098517	NWHDPQBLYVTIJM-CYBMUJFWSA-N	318.377	1.493	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccoc2C)c(OC)c1	15894094	YFPWROCCBBRAOZ-UHFFFAOYSA-N	304.302	1.680	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1ccc(F)cc1F	161746942	MDJNWLRKXRVETB-UHFFFAOYSA-N	308.313	1.991	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2sc(CC(C)C)nc2C)[nH]n1	151156730	UPWNGNBQNOPDTP-UHFFFAOYSA-N	321.406	1.756	50	20	DDGD	
C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)CCc1ccccc1	154162468	XPXBIGAKJDRRMN-LBPRGKRZSA-N	319.405	1.317	50	20	DDGD	
Cc1cc(F)cc(S(=O)(=O)NNC(=O)OC(C)(C)C)c1	154822467	MKVVBBNEEOPPHA-UHFFFAOYSA-N	304.343	1.852	50	20	DDGD	
CSSCCNS(=O)(=O)c1ccc(C(=O)O)cc1	284105493	SGGGJRCMVRHXGV-UHFFFAOYSA-N	307.418	1.674	50	20	DDGD	
O=C(O)[C@H](NS(=O)(=O)CBr)c1cccs1	380146428	WWDGVYQJKQRVRM-ZCFIWIBFSA-N	314.182	1.146	50	20	DDGD	
COC(=O)NNC(=O)CCCNC(=O)OCc1ccccc1	765853862	VCTGGMQNKMNVLV-UHFFFAOYSA-N	309.322	1.080	50	20	DDGD	
Cc1ccc(CN(C)CC(=O)NNC(=O)c2ccccc2)cc1	7902220	KIXXUNMNYDNRTM-UHFFFAOYSA-N	311.385	1.888	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cn1	8192574	AOZOKXAVHNDIKX-UHFFFAOYSA-N	300.362	1.792	50	20	DDGD	
Cc1noc(C)c1CCNC(=O)NNc1cncc(Cl)n1	107395235	VMFWSSOSBLTRIO-UHFFFAOYSA-N	310.745	1.604	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2c[nH]nc2C)[nH]c(C)c1C(C)=O	109996032	SZQHHUCVHFCHFM-UHFFFAOYSA-N	317.349	1.194	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NNC(=O)Nc1ccccc1F	101603276	UVUKXSAWCUTWIE-UHFFFAOYSA-N	320.280	1.001	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)C[C@H]2CCCOC2)cc1	113932962	VDIJVALXLUSGMQ-CQSZACIVSA-N	319.405	1.114	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Cn2nc(C)cc2C)cc1	22440440	DWIZDYDMOBRORL-UHFFFAOYSA-N	316.361	1.035	50	20	DDGD	
CCNc1ncc(C(=O)NNC(=O)Cc2ccc(F)cc2)s1	176984056	WUEWVHWYCUWOTM-UHFFFAOYSA-N	322.365	1.718	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)c2ccc(C#N)cc2)cn1	61463169	QWPIMCALHNLAIL-UHFFFAOYSA-N	310.313	1.427	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@H](C)C1CC1	178375961	JBGFVOIOTPXCQN-LLVKDONJSA-N	306.362	1.658	50	20	DDGD	
Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)N(C)C)cc2F)n1	112195749	DEVCRRROMFSGFM-UHFFFAOYSA-N	319.340	1.544	50	20	DDGD	
COc1ccc(CCNC(=O)NNC(=O)c2ccc[nH]2)cc1F	170835672	PGGDOZABGIILAW-UHFFFAOYSA-N	320.324	1.349	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCC(C)C)c(OC)c1	65143921	ZELXOHNUVPHINY-UHFFFAOYSA-N	309.366	1.694	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2coc3ccccc23)n1	113141386	QBSYENMHKKKGEL-UHFFFAOYSA-N	312.329	1.707	50	20	DDGD	
COc1cc(C(=O)NNc2ccc(Cl)nn2)ccc1[N+](=O)[O-]	118504054	AINBUQZMSPLGPC-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCn1cccn1)c1ccccc1	110963104	OEEDUPWOURTLKJ-CQSZACIVSA-N	300.362	1.614	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NCc2ccc(Cl)cc2)cnn1C	171858157	BYQWFKKUAYQTOY-UHFFFAOYSA-N	321.768	1.526	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cccc2ncccc12	65206288	JMYMOPPZCRTXIF-UHFFFAOYSA-N	302.334	1.215	50	20	DDGD	
CC(C)[C@H](C)CC(=O)NNC(=O)c1ccc2c(c1)OCCO2	67796240	QTAIGUHOTZJASQ-LLVKDONJSA-N	306.362	1.901	50	20	DDGD	
O=C(CSc1nc2ccccc2o1)NNc1cccnn1	172367764	XMLHWRKBJJMJST-UHFFFAOYSA-N	301.331	1.853	50	20	DDGD	
C[C@H]1CCCC[C@H]1OCC(=O)NNC(=O)NCc1ccco1	112881983	XCNMCYKFIHYWME-WCQYABFASA-N	309.366	1.705	50	20	DDGD	
CN(C)CC(=O)NNC(=O)CSc1ccc(Cl)cc1	171349787	PDIBHBRLQIHAEQ-UHFFFAOYSA-N	301.799	1.141	50	20	DDGD	
O=C(NNC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccccc1	63500265	SLTUIIZJEFHMKL-UHFFFAOYSA-N	303.249	1.809	50	20	DDGD	
O=C(CN1CCC[C@H]1C1CCC1)NNC(=O)c1ccccc1	182216946	PFCUKYBRHWUQAR-HNNXBMFYSA-N	301.390	1.712	50	20	DDGD	
COc1cc(C(=O)NNC(=O)N(C)C)sc1Br	121100139	XIPQRHNWPIXYLV-UHFFFAOYSA-N	322.184	1.435	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)O1	122852377	UHBGJACNUHJZIA-CWSCBRNRSA-N	310.325	1.308	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)C1(Cc2ccccc2F)CC1	188456135	HCEXKDHJFXVDSA-UHFFFAOYSA-N	316.336	1.262	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NN(C)C(N)=O	181072320	JYKVKFSMMYHKPE-LURJTMIESA-N	306.149	1.802	50	20	DDGD	
C[C@@H](C#N)Oc1ccccc1NC(=O)NNC(=O)c1ccc[nH]1	184167133	VXYKUPODFPPVIR-JTQLQIEISA-N	313.317	1.772	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CN(C)C(C)C)cc1	127606159	DYWITTSFZBEHDJ-UHFFFAOYSA-N	307.394	1.115	50	20	DDGD	
CC(C)N(C)CC(=O)NNC(=O)Cc1ccc2ccccc2c1	127526936	FCSOLOVRARHHMS-UHFFFAOYSA-N	313.401	1.870	50	20	DDGD	
CCN1C[C@@H](C(=O)NNc2nc3ccccc3cc2C)CC1=O	181319269	KBPVVDNGDPLEOS-ZDUSSCGKSA-N	312.373	1.855	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@@H](C)SC	75936927	KOIDKGFBZKYVQR-SSDOTTSWSA-N	302.783	1.861	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc(-c2n[nH]c(C)n2)c1	184851568	AFWAUBYEQQTVMR-SECBINFHSA-N	316.365	1.979	50	20	DDGD	
Cn1cc(NC(=O)C(=O)NNc2ccc(Cl)c(F)c2)cn1	131135659	JPYYHKQXTVBJLX-UHFFFAOYSA-N	311.704	1.294	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)CC(C)(C)C)C(C)(C)CN(C)C	85366503	JZFPXKHMAZWIBK-LLVKDONJSA-N	300.447	1.729	50	20	DDGD	
Cc1cc(C)c(CCNC(=O)NNC(=O)[C@@H]2CCCO2)c(C)c1	80046627	WJEPNBWZIWTJAD-HNNXBMFYSA-N	319.405	1.664	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNC(=O)c1ccccc1)c1ccco1	43138162	FXEIETJHXHBDOA-ZDUSSCGKSA-N	316.361	1.527	50	20	DDGD	
O=C(Cc1cccc(F)c1F)NNc1nc2ccccn2n1	191929791	AAJSLMKEFZVEEZ-UHFFFAOYSA-N	303.272	1.693	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNC(=O)c1ccc(C)s1	49094988	TXGCNNVKUBZSDU-SNVBAGLBSA-N	300.380	1.259	50	20	DDGD	
COc1ccc(C)cc1-n1ccc(C(=O)NNC(=O)N(C)C)n1	194940396	YXCMKNPISFYGKP-UHFFFAOYSA-N	317.349	1.105	50	20	DDGD	
COc1cccc(CNC(=O)NNC(=O)c2ccc(C)o2)c1	84069811	MBGZHRIXRZPKNT-UHFFFAOYSA-N	303.318	1.741	50	20	DDGD	
O=C(CCOc1ccc(F)cc1)NNc1nc2ccccn2n1	191883739	LYHSTUCLENKHOT-UHFFFAOYSA-N	315.308	1.781	50	20	DDGD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)c1ccccc1F	146306781	KUZAWIZOBBDQLC-QWRGUYRKSA-N	310.325	1.171	50	20	DDGD	
COc1nc(C(=O)NNC(=O)c2ccncc2)cc2ccccc12	194989047	FENBJJISXORKRY-UHFFFAOYSA-N	322.324	1.713	50	20	DDGD	
COCc1cc(C(=O)NN=c2sc3ccccc3n2C)no1	255867151	SQFPXDMGEYPNTE-UHFFFAOYSA-N	318.358	1.620	50	20	DDGD	
CO[C@]1(C)C[C@@H](NC(=O)NNC(=O)c2ccccc2O)C1(C)C	266712410	HQDBFFXMJAWERE-MLGOLLRUSA-N	321.377	1.540	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2	265207484	IMXDWYQAFYGGSK-MCIONIFRSA-N	319.361	1.106	50	20	DDGD	
COCCC1(C(=O)NNC(=O)COc2ccccc2F)CCC1	268339729	ADVOUELQEADKBF-UHFFFAOYSA-N	324.352	1.559	50	20	DDGD	
CCCn1nc(C)c(C(=O)NNC(=O)c2cccn2C)c1C	268284902	CAYVWTOXKJCVOH-UHFFFAOYSA-N	303.366	1.323	50	20	DDGD	
Cc1cc(NNC(=O)CNC(=O)C2CCCCC2)nc(C)n1	265562122	TYRAOWAXNABBEO-UHFFFAOYSA-N	305.382	1.233	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C[C@H]1CCCCO1	268039428	JVYNVGSHPQQMSH-GFCCVEGCSA-N	321.377	1.214	50	20	DDGD	
CC(C)OC(=O)[C@H](C)CNC(=O)NNc1cncc(Cl)n1	266772562	IWJWYXACECFLQD-MRVPVSSYSA-N	315.761	1.344	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC[C@@H]2CCO[C@H](C)C2)o1	273046857	FRLRFUMLFYLCLF-VXGBXAGGSA-N	309.366	1.737	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)CC)c(C)c1	274033967	DJFZALDATYZSIT-JTQLQIEISA-N	321.377	1.526	50	20	DDGD	
C=C(C)[C@@H](CC(=O)NNC(=O)COc1ccccc1F)OCC	270150590	VTJYOSGXMBBULM-CQSZACIVSA-N	324.352	1.723	50	20	DDGD	
COCC1(O)CCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)CC1	270377158	ONJQOTGJGNBJQJ-GIDUJCDVSA-N	317.345	1.933	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1cnn(-c2ccccc2)n1	273435836	VLKMGPHWAQBHLE-UHFFFAOYSA-N	300.322	1.220	50	20	DDGD	
CC(=O)N1CC(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])C1	276450397	JEOKSQSPEZFWSG-UHFFFAOYSA-N	312.713	1.170	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2Cc3ccccc3O2)nc1	372270039	JZBPGIDFVJCLHP-CYBMUJFWSA-N	313.313	1.315	50	20	DDGD	
O=C(NNC(=O)c1occ2c1CCOC2)c1ccccc1F	375630740	NOUCIODIAJYGFG-UHFFFAOYSA-N	304.277	1.566	50	20	DDGD	
CCc1occc1C(=O)NNC(=O)CNc1cccc(OC)c1	281678571	ZNLWBPGPKWBFDZ-UHFFFAOYSA-N	317.345	1.724	50	20	DDGD	
COC(OC)c1ccc(C(=O)NNC(=O)c2cccc(C)n2)o1	287938382	FMYRSOMDZGFFSD-UHFFFAOYSA-N	319.317	1.349	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H]1CC[C@H]1C(=O)OC)c1ccccc1	286203099	YAHXHIDDNXNKPY-MELADBBJSA-N	318.373	1.527	50	20	DDGD	
CSCC(C)(C)C(=O)NNC(=O)Cn1cnc2ccccc21	282057209	MMNLOYSJTJXEOV-UHFFFAOYSA-N	320.418	1.573	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)C[C@@H]1CCCC[C@H]1O	283872827	CQUYZFUNDZQYNV-SMDDNHRTSA-N	324.352	1.293	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@@]12CCCC[C@H]1CNC2	285644814	GRJWGPGZPPYRPV-ZUZCIYMTSA-N	317.418	1.914	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NNc2ncccc2F)C1	285995624	NXIADNCNWCUNSX-LLVKDONJSA-N	322.384	1.949	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCN2CCC[C@H](C)C2)n1	280145486	FJVHBDRLTYMERQ-LBPRGKRZSA-N	319.409	1.066	50	20	DDGD	
CN(C)C(=O)Nc1cccc(C(=O)NNC(=O)CC2CC2)c1	294027031	CRUOANVFQFMEHM-UHFFFAOYSA-N	304.350	1.341	50	20	DDGD	
Cc1ccc(CCC(=O)NNc2nnc[nH]2)c(Br)c1	298312331	JJRKJWAZTCZCFY-UHFFFAOYSA-N	324.182	1.952	50	20	DDGD	
O=C(NNc1ccncn1)Nc1ccccc1O[C@@H]1CCOC1	296672552	RLISWUFLYWBHFD-LLVKDONJSA-N	315.333	1.793	50	20	DDGD	
CC[C@H](C)N[C@@H](CNC(=O)NNc1cccnn1)c1ccco1	807443234	GBEQJFVAIUOAJI-RYUDHWBXSA-N	318.381	1.825	50	20	DDGD	
NC(=O)c1csc(C(=O)NNC(=O)Nc2ccccc2)c1	801987626	QMDMNECYFDOQQL-UHFFFAOYSA-N	304.331	1.314	50	20	DDGD	
CS[C@H](C)CCC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	801108232	JGNQZSNMJLOOLP-LLVKDONJSA-N	323.418	1.613	50	20	DDGD	
O=C(C[C@@H]1CCCOC1)NNC(=O)Nc1cc(F)cc(F)c1	802000984	DHNHYQGGSLBSSS-VIFPVBQESA-N	313.304	1.934	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cc2c([nH]1)CCCC2	294583867	KYGNTROBODGZAE-UHFFFAOYSA-N	313.357	1.977	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H]1OC[C@H]2COCC[C@H]21	291015992	XGYCGSVUZOFWAD-MPKXVKKWSA-N	321.333	1.398	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC(CC(=O)NNc2nnc[nH]2)CC1	293818556	FRTWHIXGVYSYND-UHFFFAOYSA-N	324.385	1.285	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)Nc1ccc2c(c1)C(=O)OC2	808891294	UFGHVHKEIGNFJR-UHFFFAOYSA-N	324.300	1.548	50	20	DDGD	
CSc1nc(C2CC2)nc(C)c1C(=O)NNC(=O)CC1CC1	294097317	IZXTUTYULDRGNF-UHFFFAOYSA-N	320.418	1.945	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cncc2ccccc12	802029157	NOVQPMCPQOIELY-UHFFFAOYSA-N	307.313	1.518	50	20	DDGD	
Cc1ccc(OCCNC(=O)NNc2ncncc2F)c(C)c1	814271212	JREUOXGWHCYEGR-UHFFFAOYSA-N	319.340	1.938	50	20	DDGD	
COc1cc(C(C)=NNC(=O)[C@@H](C)CN2CCCCC2)on1	814763380	AEBQWYGYHQVKMR-NSHDSACASA-N	308.382	1.645	50	20	DDGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](C(=O)O)C1	819090912	LLHMPGMQJFDVIA-YKAQBRKTSA-N	303.274	1.245	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NN=Cc2cnn(C)c2Cl)c1	814882621	SCBMCGFJMKOUBN-UHFFFAOYSA-N	320.740	1.191	50	20	DDGD	
O=C(CC1CC1)NN=C1CCS(=O)(=O)c2ccc(F)cc21	814986052	DGHWZBCQFYKVAI-UHFFFAOYSA-N	310.350	1.624	50	20	DDGD	
CC(=O)c1cc(C(=O)NNc2nc3ccccn3n2)cs1	816467817	OCGQXAJJVHAWDH-UHFFFAOYSA-N	301.331	1.750	50	20	DDGD	
CS(=O)(=O)CC1CCC(=NNC(=O)Cc2cccnc2)CC1	814837852	ODWNKLGJLXUXMB-UHFFFAOYSA-N	323.418	1.331	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)Cc2c[nH]c3ccccc23)n1C	811633247	KKNNDRVWORBBBY-UHFFFAOYSA-N	324.388	1.660	50	20	DDGD	
C[C@@H]1CCCC[C@H]1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	819003472	WYGMYOLVXISMAV-JMSVASOKSA-N	318.373	1.800	50	20	DDGD	
O=C(NNC(=O)c1nc(Cl)sc1Cl)c1ccc[nH]1	816823861	ISLQZINISLJOTG-UHFFFAOYSA-N	305.146	1.853	50	20	DDGD	
CN(C)c1cccc(C(=O)NNc2nc(-c3cccnc3)no2)c1	728075487	DWBGZFDJRSEYAT-UHFFFAOYSA-N	324.344	1.955	50	20	DDGD	
O=C(CCc1ccncc1)NNC(=O)Cn1cnc2ccccc21	729298642	PTKUEXRKJQXBGA-UHFFFAOYSA-N	323.356	1.212	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(Br)cc(OC)c1	823377893	YZTPGSLCZSFBQR-UHFFFAOYSA-N	317.183	1.417	50	20	DDGD	
CCCCNC(=O)NNC(=O)/C=C\c1ccc(OC)c(OC)c1	491320683	OCRHDLBEUUNTLM-CLFYSBASSA-N	321.377	1.848	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)CC1(O)CCC1	822298848	POMPKTIBAFZVDZ-UHFFFAOYSA-N	312.753	1.415	50	20	DDGD	
CN(C)c1nc(Cl)c(C(=O)NNC(=O)C(C)(C)C)s1	822538272	XCUUJUCFFOMGNL-UHFFFAOYSA-N	304.803	1.670	50	20	DDGD	
C[C@H]1CCCC1=NNC(=O)C1CCN(c2ncccn2)CC1	729145207	KFBCQBWBDSBLQP-LBPRGKRZSA-N	301.394	1.985	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1nncc2ccccc12)C1CC1	824445804	APPMWSYZYIDMEU-SECBINFHSA-N	315.402	1.537	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NN(C)C2CC2)c(N(C)C)c1	824302514	CVABDNQKXIARBD-UHFFFAOYSA-N	306.366	1.670	50	20	DDGD	
CCN(CCO)NC(=O)[C@H](Oc1ccccc1C#N)C(C)C	823852885	QPMOVCWMHAEMHR-OAHLLOKOSA-N	305.378	1.307	50	20	DDGD	
Cc1ccc(CN(CCO)C(=O)/C(C#N)=C/c2cnn(C)c2)cc1	490974975	OHSUGSSUDBPIDM-RQZCQDPDSA-N	324.384	1.657	50	20	DDGD	
CC(C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)=C1CCC1	823609428	VVXVHHBMWPAQGR-AWEZNQCLSA-N	302.330	1.474	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2CCC[C@@H]2C)cc1OC	729507897	LBEILARDKNRQHR-CMPLNLGQSA-N	321.377	1.836	50	20	DDGD	
CC(C)(C)n1cc(NC(=O)NNC(=O)c2cccc(F)n2)cn1	821444726	NNLZWXQAWBWBTP-UHFFFAOYSA-N	320.328	1.639	50	20	DDGD	
CC(C)c1ccc2c(c1)CN(C(=O)c1ccc(B(O)O)cc1)CC2	585005776	GAFVIIVOSVLBLU-UHFFFAOYSA-N	323.201	1.688	50	20	DDGD	
CNc1ccc(C(F)(F)F)cc1C(=O)NN(C)[C@@H](C)CO	823913016	NNZARKBSTNAEMP-QMMMGPOBSA-N	305.300	1.705	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccccc1CSc1nc[nH]n1	495823358	NOLRLPXRXRHYAQ-UHFFFAOYSA-N	321.362	1.440	50	20	DDGD	
COc1cccc(C=NNC(=O)Cc2nc(C)cs2)c1O	725856244	NRZCLJWKMZQUAP-UHFFFAOYSA-N	305.359	1.859	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=S)NCC2CCC2)c(O)n1	824436446	BSDHBGCNWOLPGF-UHFFFAOYSA-N	322.434	1.820	50	20	DDGD	
Cc1ccc2nc(C(=O)NNC(=S)NC(C)(C)C)cn2c1	900001219	JGIGXMOCNSQSLT-UHFFFAOYSA-N	305.407	1.550	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(C2CC2)nc2onc(C)c12	823842380	RPRFVLSSSOIDOY-UHFFFAOYSA-N	304.350	1.368	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1ccnn1-c1ccccc1C	490696134	NYSPHFRTRPPNQO-SDNWHVSQSA-N	310.357	1.850	50	20	DDGD	
CC(C)(C)C[C@@H](NCc1cccc(B(O)O)c1)C(F)(F)F	585033240	BQWPHKTZQRFWGL-GFCCVEGCSA-N	303.133	1.823	50	20	DDGD	
Cc1[nH]c(C(=O)NNc2ccc(Cl)nn2)c(C)c1C(=O)O	738155948	GMGKRSCAUFPQBY-UHFFFAOYSA-N	309.713	1.530	50	20	DDGD	
COc1ncccc1C(=O)NNC(=O)c1cc2c(s1)CCC2	906486429	BVUGFPGXNMXZLC-UHFFFAOYSA-N	317.370	1.715	50	20	DDGD	
CO[C@H](CNC(=O)NNc1nc(C)cc(C)n1)C(F)(F)F	733354555	HUYGSPUFJLBRAG-MRVPVSSYSA-N	307.276	1.297	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCCCCC1)c1cn(C)nn1	834935318	RBCKBSVHEWLTKA-GFCCVEGCSA-N	306.414	1.167	50	20	DDGD	
OB(O)c1ccc(CNC[C@H]2CCCC[C@@H]2C(F)(F)F)cc1	585031942	ZZSLHEGQWIGSHB-OCCSQVGLSA-N	315.144	1.825	50	20	DDGD	
C[C@]1(C(=O)NCCOC[C@@H]2CCCO2)C[C@@H]1Br	906712512	VPSQBYHZRYCKEU-NHCYSSNCSA-N	306.200	1.472	50	20	DDGD	
C[C@@]1(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1Br	906498542	KMGYJQHXQAPKJC-JOYOIKCWSA-N	322.166	1.979	50	20	DDGD	
C[C@H]1CC[C@@H](C)CC1=NNC(=O)Cc1cc(O)nc(S)n1	834936633	BABFQIQQRLPMAT-BDAKNGLRSA-N	308.407	1.942	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@]2(C)C[C@@H]2Br)o1	906932941	GTSPGHWIOAAOMB-KWQFWETISA-N	301.140	1.523	50	20	DDGD	
COCC1(CNC(=O)NNc2ncncc2Cl)CCCC1	836661461	IOAZHXNTCVEFOD-UHFFFAOYSA-N	313.789	1.963	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)ccc1O)c1cncc(O)c1	732262652	FJUGHMHYDWAXEK-UHFFFAOYSA-N	307.693	1.221	50	20	DDGD	
CC(C)Oc1cc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)ccn1	831700272	BVVCMOPEENIBNI-PWSUYJOCSA-N	322.365	1.447	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCc3cc(Cl)ccc32)c(F)c1	585020830	ADCBSGBKPXWMFD-INIZCTEOSA-N	319.572	1.936	50	20	DDGD	
CCOc1ccccc1[C@@H](C)NCc1ccc(B(O)O)cc1F	585020190	ZDKHPOOGABMDNO-GFCCVEGCSA-N	317.169	1.755	50	20	DDGD	
COc1cc(CO)ccc1C(=O)NNC(=O)NC1CCCC1	900413422	ROJSPOAKLXYGTJ-UHFFFAOYSA-N	307.350	1.074	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNc2cc(F)c(F)cc2F)CC1=O	839682793	IKLYYQONBIEKBD-QMMMGPOBSA-N	315.295	1.806	50	20	DDGD	
COC(=O)c1ncccc1S(=O)(=O)NCCSSC	831421368	RUHWHWMGAAOGIJ-UHFFFAOYSA-N	322.433	1.158	50	20	DDGD	
COc1ccc(C)cc1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	831062341	JDBXPJFVJQIKLF-MNOVXSKESA-N	307.350	1.581	50	20	DDGD	
Cc1ccc(CN(C)CC(=O)NNC(=O)C(C)(C)C)cc1C	832634937	YJNIVMQHIWLHJH-UHFFFAOYSA-N	305.422	1.929	50	20	DDGD	
C[C@]1(C(=O)N2CCC[C@@H](CCC(N)=O)C2)C[C@H]1Br	906522440	KFTCZQGUBKSITE-CWSCBRNRSA-N	317.227	1.664	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)C1CCCC1)c1ccccn1	836426951	PZWCLZAFJDKJCZ-UHFFFAOYSA-N	304.394	1.880	50	20	DDGD	
CC(C)CC1(C)CCN(C(=O)c2cc(B(O)O)ccc2F)CC1	584993669	SLRYYLUXUJJZHQ-UHFFFAOYSA-N	321.201	1.794	50	20	DDGD	
Cc1csc([C@@H](C)CNCc2ccc(B(O)O)cc2F)n1	585035505	VHRQDLUAASAVAG-VIFPVBQESA-N	308.187	1.164	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cccc(C(=O)N(C)C)c1	901154995	ZDMVCWZDCRPPNN-UHFFFAOYSA-N	318.421	1.570	50	20	DDGD	
CS[C@@H]1CCC[C@H]1c1nc(-c2ccc(B(O)O)cc2)no1	585053338	DSBWUCOKEKPLQY-VXGBXAGGSA-N	304.180	1.416	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)N(CC)CC	735989015	GOEAGZAKHFITHG-ZDUSSCGKSA-N	322.365	1.476	50	20	DDGD	
CN1C(=O)CC[C@H]1CC(=O)NNc1cccc(F)c1[N+](=O)[O-]	834736145	HJVHTIKUCWCCRF-QMMMGPOBSA-N	310.285	1.188	50	20	DDGD	
C[C@@H]1CC[C@@H](CNC(=O)NNC(=O)c2cccc(C#N)c2)O1	838745300	ODZIXZPIKBBBTP-MFKMUULPSA-N	302.334	1.070	50	20	DDGD	
COC(=O)[C@@H](NS(=O)(=O)c1ccc(CCl)cc1)C1CC1	914210267	OSQJLWCVVKDWSN-LBPRGKRZSA-N	317.794	1.655	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1	830190031	HNELEYPTDPKISH-YNEHKIRRSA-N	314.426	1.995	50	20	DDGD	
O=C(NN=Cc1cncc(Br)c1)[C@H]1CCCCO1	834985204	GPEPSHBAUKDRLQ-LLVKDONJSA-N	312.167	1.863	50	20	DDGD	
COCCN(C)NC(=O)CCOc1ccc(F)cc1Cl	837621854	OKPDIOZBCJYYOU-UHFFFAOYSA-N	304.749	1.857	50	20	DDGD	
Cc1cccnc1[C@H](NCC(=O)NNC(=O)C(C)(C)C)C(C)C	744401624	FZIBJDSPIZSJLT-CQSZACIVSA-N	320.437	1.870	50	20	DDGD	
CCN1CCC(=NNC(=O)[C@@H]2COc3ccccc3O2)[C@@H](C)C1	741454247	YGDWMOOLWMEIQR-LRDDRELGSA-N	317.389	1.660	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@H]2CC2(Cl)Cl)n1	915907649	BCKGOHKHWRYHPF-ZCFIWIBFSA-N	306.153	1.305	50	20	DDGD	
COC(=O)[C@H](NNC(=O)c1ccccn1)c1ccccc1F	743462700	KODJQRAGZAHPMH-CYBMUJFWSA-N	303.293	1.369	50	20	DDGD	
COc1ccc2onc(CC(=O)NNC(=O)C3CCC3)c2c1	841392599	VACJJLPSJYYAGS-UHFFFAOYSA-N	303.318	1.326	50	20	DDGD	
O=C(Cn1cccnc1=O)NNc1cccc(C(F)(F)F)c1	747988647	WDXPHBKMIJQDCW-UHFFFAOYSA-N	312.251	1.405	50	20	DDGD	
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NN(C)C[C@@H](C)O	910176871	FSLRWQBAQAFZFE-WBMJQRKESA-N	317.389	1.294	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=Cc1nccc2ccccc12	743447332	GOZJQEZFXVEDNE-UHFFFAOYSA-N	323.312	1.129	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1C[C@H]2C=C[C@H]1CC2	842524372	BCMUOFDWHGSZDT-XUXIUFHCSA-N	310.419	1.516	50	20	DDGD	
CNC(=S)N(C)NC(=O)C(C)(C)c1ccc(F)cc1F	910003150	ZCGVDLQMOGHJJY-UHFFFAOYSA-N	301.362	1.710	50	20	DDGD	
Cc1cc(C)c(NC(=O)NN(C)C(=O)N2CCNCC2)c(C)c1	841002189	VCVNSQGQMOJLEU-UHFFFAOYSA-N	319.409	1.605	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1cccnc1	843654711	JYJWUKJARRCPEV-YUTCNCBUSA-N	305.378	1.394	50	20	DDGD	
C[C@@H](CCc1cccc(F)c1)C(=O)NNC(=O)c1ncccn1	841351042	ZQOJTTCTWFZWHX-NSHDSACASA-N	316.336	1.646	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	916111190	BDBZLXOJLUGEPV-VNHYZAJKSA-N	320.389	1.643	50	20	DDGD	
Cc1ccc(C2(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)CCC2)cc1	843656182	ABVRJTLMKFVOCA-ZFWWWQNUSA-N	316.401	1.989	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NC[C@@H]1C[C@@H](C)O[C@H]1C	840434692	SDDVOUZFCYPECP-IPYPFGDCSA-N	319.405	1.681	50	20	DDGD	
CCN1CCC[C@@H]1CNC(=S)NNC(=O)NC1CCCC1	743584465	BBTKWOXRSMBHPS-GFCCVEGCSA-N	313.471	1.092	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H]2NCCc3ccccc32)nn1	841993605	AXUBYFGAFMPDOF-AWEZNQCLSA-N	312.377	1.298	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ocnc2C)cc1OC	747348301	HVUVUOKNBXSIJZ-UHFFFAOYSA-N	305.290	1.075	50	20	DDGD	
COC/C(C)=C\C(=O)NNC(=O)Cc1c[nH]c2ccccc12	845087865	LZUQLIMMRVIRMF-XFFZJAGNSA-N	301.346	1.451	50	20	DDGD	
CSSCCN1C(=O)N[C@@H](CN2CCCCC2)C1=O	925343549	MDXXJMAYCJQFGQ-JTQLQIEISA-N	303.453	1.404	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)c1cc([N+](=O)[O-])cnc1O	743819555	VHQNNKJUDSPNFR-UHFFFAOYSA-N	309.669	1.501	50	20	DDGD	
CC[C@H]1CCCN(CC(=O)NNC(=O)c2cccc(C#N)c2)C1	744387168	MDGBAVWMRGOUEL-ZDUSSCGKSA-N	314.389	1.441	50	20	DDGD	
Cc1nnc(NNC(=O)CCCc2c(F)cccc2F)nc1O	848367789	MHQSRFWEOCWWOL-UHFFFAOYSA-N	323.303	1.630	50	20	DDGD	
COCCOc1cccc(C=NNC(=O)[C@H]2CCO[C@@H]2C)c1	842555631	MHNLBJRUYZBNMH-DOMZBBRYSA-N	306.362	1.587	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNc1ncccc1C(F)(F)F	740098408	WNWULHILHUEFNY-UHFFFAOYSA-N	318.299	1.706	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(N(C)C(=O)NC)cc1	921329623	KWNUDKAASOAZHM-ZHACJKMWSA-N	302.334	1.845	50	20	DDGD	
Cc1nc2n(n1)C[C@H](NC(=O)NNc1ccc(C)c(F)c1)CC2	853648990	WGBXUQJBCHXBBW-GFCCVEGCSA-N	318.356	1.675	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1nccc2occc12	854388787	YEINFLREQQUUSN-UHFFFAOYSA-N	321.333	1.378	50	20	DDGD	
O=C(NN=Cc1cccc(F)c1O)[C@@H]1COc2ccccc2O1	755484581	RAWNAZVLOGGMGV-AWEZNQCLSA-N	316.288	1.821	50	20	DDGD	
Cc1nnc(COCC(=O)NNc2ccc(Cl)cn2)s1	856091116	FMGDAFYYBLDCAE-UHFFFAOYSA-N	313.770	1.555	50	20	DDGD	
CC[C@@H](CN1CCCC1)NC(=O)NNc1ccc(Cl)nn1	758843578	BPWDKNUSFLMDJA-JTQLQIEISA-N	312.805	1.631	50	20	DDGD	
CC(C)Oc1cccc(CC(=O)NNC(=O)c2cc[nH]n2)c1	855359240	KXCXPSISPZOYHV-UHFFFAOYSA-N	302.334	1.201	50	20	DDGD	
O=C(NN=C1CCOc2ccccc21)[C@@H]1CN2CCC[C@@H]2CO1	853387186	NSWZMFOZIAEJDZ-WBMJQRKESA-N	315.373	1.153	50	20	DDGD	
CC(C)CN1N=C(C(=O)NNc2ccnc(Cl)c2)CCC1=O	855464993	CCRDWXWSFKKYPV-UHFFFAOYSA-N	323.784	1.813	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)c2cccc(F)n2)CCOCC1	852284802	OJXRBQVVDRVLQA-UHFFFAOYSA-N	324.356	1.372	50	20	DDGD	
CCOCCOCCCC(=O)NNC(=O)c1ccccc1C	854247338	VQBHFANOQOERAX-UHFFFAOYSA-N	308.378	1.589	50	20	DDGD	
C=CCC1(C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)CCC1	855832385	BPQJWTPNVSRAEW-UHFFFAOYSA-N	323.437	1.823	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)c1c(C)nc2ccccn12)C1CC1	858171038	MGVWISZBRPDWGT-AWEZNQCLSA-N	316.361	1.219	50	20	DDGD	
CC1=NO[C@@H](C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)C1	854217196	KMJHFJMCAZHOLL-GXTWGEPZSA-N	319.361	1.383	50	20	DDGD	
O=C(CN1C(=O)CCC1=O)OC[C@H](CBr)C1CC1	859447380	PJJJKXDSDASICX-VIFPVBQESA-N	318.167	1.100	50	20	DDGD	
CC[C@H]1CCCN1CC(=O)NNC(=O)c1cccc(C#N)c1	756513726	IGKWFLMYEQALCS-AWEZNQCLSA-N	300.362	1.194	50	20	DDGD	
CO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cc(C)cs2)C12CCC2	858706863	BZPXOXAUQHVDHK-VXGBXAGGSA-N	323.418	1.958	50	20	DDGD	
COc1cc(C=NNC(=O)NCC2CC2)c([N+](=O)[O-])cc1O	920828364	GDHCPAYXICEEGO-UHFFFAOYSA-N	308.294	1.352	50	20	DDGD	
Cc1cccnc1NNC(=O)NC[C@H]1CCCN1CC(F)F	858746708	BQTTWXNESDWNPY-LLVKDONJSA-N	313.352	1.746	50	20	DDGD	
CC(C)(O)C1CN(C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	856955615	PXGYWEXZBVBKAK-JOYOIKCWSA-N	305.216	1.572	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cc2ccccc2n1C	853313709	GDONOILZKHZONB-LBPRGKRZSA-N	303.362	1.680	50	20	DDGD	
CC1(CNC(=O)NNC(=O)Cc2cn3ccccc3n2)CC1	752019928	MZEMXRVWJZFWHQ-UHFFFAOYSA-N	301.350	1.007	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cc(C3CC3)nn2C)cc1	929290322	QRSIBPKXAPUJAX-UHFFFAOYSA-N	312.373	1.935	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)CCOc2ccccc2)[C@H]1C	858918559	LGOOYGBUGSQTSW-JFILPPLUSA-N	320.389	1.662	50	20	DDGD	
O=C(NCC#CCO)NNc1ccccc1OC(F)(F)F	923773473	HSMFYMWIIVXOCW-UHFFFAOYSA-N	303.240	1.207	50	20	DDGD	
C[C@@H](C=NNC(=O)c1cccc(F)n1)NC(=O)OC(C)(C)C	853445057	VJUACVMRCAAGTB-VIFPVBQESA-N	310.329	1.850	50	20	DDGD	
CCCn1nccc1C(=O)NNC(=O)Cc1ccc(F)cc1	854237829	GIBOMBLLZWOWKB-UHFFFAOYSA-N	304.325	1.436	50	20	DDGD	
Cc1ccnc2nc(C(=O)NC[C@]3(C)C[C@H]3Br)nn12	857689409	KZLZDYULUJMUJK-PELKAZGASA-N	324.182	1.336	50	20	DDGD	
COc1ncnc(OC)c1C(=O)NNc1cc(Cl)nc(C)n1	857541048	FQOQAWICAADGAL-UHFFFAOYSA-N	324.728	1.003	50	20	DDGD	
O=S(=O)(CBr)NCc1ccc2c(c1)CCCN2	850587456	AKLPZEDYPIDJQO-UHFFFAOYSA-N	319.224	1.817	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cn(C)nc2C(F)F)n1	755276756	ZTVAALPKVDIEQK-UHFFFAOYSA-N	316.699	1.866	50	20	DDGD	
CCOC(C)(C)C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	869766745	UQLQVNPUYBNXMM-UHFFFAOYSA-N	322.361	1.114	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)[C@@H]1COc2ccccc2O1	768492545	QTQOYYSSEZLDTK-AWEZNQCLSA-N	310.313	1.846	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNc1ncnc2ccsc12	934896672	ASIJOLNBORAEMQ-HTQZYQBOSA-N	306.347	1.334	50	20	DDGD	
C[C@@H]1CCC[C@H](N2CCC(=NNC(=O)[C@H]3CCC(=O)N3)CC2)C1	863148798	KVTBJGNCXPINGZ-VHDGCEQUSA-N	320.437	1.412	50	20	DDGD	
CC[C@@H](CC(F)(F)F)C(=O)NNC(=O)Cc1cc(C)[nH]n1	869017158	IHHWTQAECSBRJM-QMMMGPOBSA-N	306.288	1.387	50	20	DDGD	
CSc1cc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)co1	868434843	LLNCHERQQCBOAE-SNVBAGLBSA-N	318.420	1.107	50	20	DDGD	
CCC(=O)N1CCc2ccc(NC(=O)NNC(=O)C3CC3)cc21	934187293	ZAEIXDBKPZJUEY-UHFFFAOYSA-N	316.361	1.548	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)C2(F)CCOCC2)c1	867882570	JIJPZTJSYRRTFY-UHFFFAOYSA-N	324.356	1.742	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NC[C@@H](O)CC(C)C)cc(C#N)n1C	762473094	LHIIVEHBDSDJBB-VCXBKZMZSA-N	314.389	1.635	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2ccncc2)nc1Cl	766532181	VAJBOXRSIJTZCO-UHFFFAOYSA-N	320.736	1.142	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)Cc3ccco3)n[nH]2)cc1	765407259	DWBZHEAIYZPJFG-UHFFFAOYSA-N	324.340	1.982	50	20	DDGD	
CC(=NNC(=O)CS(C)(=O)=O)c1ccccc1OC(F)F	863188681	JGXQMZURHUPDCD-UHFFFAOYSA-N	320.317	1.173	50	20	DDGD	
O=C(CCC1CCOCC1)NNC(=O)c1n[nH]c2c1CCCC2	1116140193	ZDEIWQGTMMPXSR-UHFFFAOYSA-N	320.393	1.256	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1cccnc1Cl	768583491	AZBNBAPSHOENAF-UHFFFAOYSA-N	307.766	1.761	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)N(C)C	764388074	VLNPBJJHBFRDEA-ZZTKBFGJSA-N	307.438	1.690	50	20	DDGD	
CC[C@H](C)Oc1cc(C(=O)NNc2ncc(F)cn2)ccn1	777426648	BMNBNMLPQXQVDG-VIFPVBQESA-N	305.313	1.945	50	20	DDGD	
O=C(NNc1ccccn1)C1=NN(c2ccccc2)C(=O)CC1	777471658	VXYWXAFKYDFFON-UHFFFAOYSA-N	309.329	1.708	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C(C)C)cc1O	772035508	HHKBZUPUUSLBTL-JTQLQIEISA-N	322.361	1.618	50	20	DDGD	
COCCC[C@H](C)C(=O)NNc1ccccc1S(C)(=O)=O	778378564	CYWNQFJZLRZABD-NSHDSACASA-N	314.407	1.596	50	20	DDGD	
C[C@@H](CC(N)=O)C(=O)NNC(=S)Nc1cccc(Cl)c1	873787252	YDKGRTPVVKWZDO-ZETCQYMHSA-N	314.798	1.169	50	20	DDGD	
CO[C@]1(C=NNC(=O)c2nc3ccccc3s2)CCOC1	872437609	MRWFXJWAUWJFPD-AWEZNQCLSA-N	305.359	1.817	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1c(C)noc1C(F)F	772166001	OUOOOIFXGDYETH-LURJTMIESA-N	319.264	1.023	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc[nH]1	875707251	ONWLHIVTAXFBPK-GJZGRUSLSA-N	303.410	1.455	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCC(C)(C)C1	772260937	WPCCLKPXNKFWQZ-RYUDHWBXSA-N	312.410	1.938	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])c(OC)c1	770567047	DLGYNKRGDUXTBF-XFFZJAGNSA-N	306.274	1.700	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cc(C)ncn2)c(F)c1	776147930	OACCSSLAUNDMFK-UHFFFAOYSA-N	304.281	1.468	50	20	DDGD	
CN1CCN(c2ccc(CNS(=O)(=O)CCl)cc2)CC1	882662592	JPIBIIBJBURESW-UHFFFAOYSA-N	317.842	1.054	50	20	DDGD	
CC(=NNC(=O)c1ccc(C)cc1O)C1CCS(=O)(=O)CC1	777432963	QVWRCUJIWPVMJO-UHFFFAOYSA-N	324.402	1.631	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)NNc1cccc(S(C)(=O)=O)c1	776526106	LYQHMEZOFDGRBB-YGRLFVJLSA-N	324.402	1.539	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1ccccc1NC(C)=O	887148331	XQJPRLNLORHANQ-UHFFFAOYSA-N	301.346	1.138	50	20	DDGD	
CC(C)(O)CCNC(=O)NNC(=O)Cc1ccc(Cl)cc1	773699817	ZUIXUKQQZDNPDB-UHFFFAOYSA-N	313.785	1.374	50	20	DDGD	
Cc1cc(N2C[C@@H](C(=O)NNC(=O)C3CC3)CC2=O)ccc1F	779866620	JUMJZLWKYGAXNP-NSHDSACASA-N	319.336	1.044	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)c2ccccn2)c(F)c1	777275856	VHLATVYLLODURB-UHFFFAOYSA-N	301.277	1.498	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CSc1nc(C)cc(C)n1	887139690	ZOZIBRSWQISCOK-UHFFFAOYSA-N	306.391	1.136	50	20	DDGD	
Cn1ccnc(NNC(=O)c2ccc(C#N)c(Cl)c2)c1=O	779380863	DPHMWCOLLRUEGW-UHFFFAOYSA-N	303.709	1.062	50	20	DDGD	
CSc1ccc(C)c(NC(=O)C(=O)NNc2ncccn2)c1	773720179	VDWYRXCPSNMRRP-UHFFFAOYSA-N	317.374	1.589	50	20	DDGD	
COc1cc(Cl)ccc1NC(=O)NNC(=O)c1cc(C)[nH]n1	776079796	FFQPRSRVYFXUNQ-UHFFFAOYSA-N	323.740	1.847	50	20	DDGD	
O=C(NNC(=O)c1cc2nn[nH]c2cc1F)c1ccccc1F	781882313	CPQGWEAZZBIUIZ-UHFFFAOYSA-N	317.255	1.311	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(N(C)C)c2ccccc2n1	887148070	MXWNFTYMTCKIIY-UHFFFAOYSA-N	324.384	1.865	50	20	DDGD	
COC1(C(=O)NNc2ccc(F)c(F)c2F)CCOCC1	786426522	IJWIOKWWOFLBNF-UHFFFAOYSA-N	304.268	1.743	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1c(CC)nn(C)c1CC	887148186	RSWHWUIKOYFKIM-UHFFFAOYSA-N	304.394	1.038	50	20	DDGD	
COCCc1ccccc1NC(=O)NNC(=O)c1c[nH]nc1C	786200757	DSTWAAFYNSLANR-UHFFFAOYSA-N	317.349	1.374	50	20	DDGD	
O=C(CN[C@@H](c1ccccc1)C(F)(F)F)NN=c1cc[nH]cc1	781020569	ZWNLCDPYQCLPDS-AWEZNQCLSA-N	324.306	1.840	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)c1cccnn1	882056710	CUYILXGHLBLEQJ-YPMHNXCESA-N	306.366	1.223	50	20	DDGD	
C[C@H]1CC[C@H](C(F)(F)F)CN1CC(=O)NNC(=O)C1CC1	780385406	IIPSNIGFQVAVDU-WPRPVWTQSA-N	307.316	1.207	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ncncc1Cl)N1CCCC1=O	781820010	MJBHBVHNFAVDSI-NSHDSACASA-N	311.773	1.220	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc2nc(C(F)F)[nH]c2c1	780709794	VFDYAEYYFJCEFK-UHFFFAOYSA-N	311.292	1.807	50	20	DDGD	
CCc1ncncc1C(=O)NNc1ccccc1C(=O)OC	780733696	XXCNOMJUYNXKDA-UHFFFAOYSA-N	300.318	1.583	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)COc2ccc(F)cc2)n[nH]1	892484900	BJGVFZZFMNZFFK-UHFFFAOYSA-N	320.324	1.341	50	20	DDGD	
CCOC(=O)[C@@H](CO)NC(=O)CCCC[C@@H]1CCSS1	782758324	HXALQKJUHGWIRJ-GHMZBOCLSA-N	321.464	1.741	50	20	DDGD	
Cc1nn(C)c(NC(=O)C(=O)NNc2ccc(Cl)nc2)c1C	784871690	UVWUGUFDJSZWAL-UHFFFAOYSA-N	322.756	1.167	50	20	DDGD	
C#CCOCCNS(=O)(=O)c1ccc(CCCCl)cc1	784457611	OBVMOKYWCSSEDZ-UHFFFAOYSA-N	315.822	1.786	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H](C(C)C)C2)c(O)c1	892926975	OVKMYFWFURFKFK-WFASDCNBSA-N	320.389	1.913	50	20	DDGD	
Cc1cc(C)cc(OCCC(=O)NNC(=O)C2CCOCC2)c1	894098128	WLBXAERZQQFVSD-UHFFFAOYSA-N	320.389	1.646	50	20	DDGD	
C=CCNC(=O)NC(=O)COC(=O)/C(C#N)=C\c1ccccc1	785349849	DEIXHQXRZIHEDW-LCYFTJDESA-N	313.313	1.149	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCC(=O)NC(=O)c1cccs1	786673899	MTPLXGAXJCMXRR-UXBLZVDNSA-N	304.327	1.408	50	20	DDGD	
O=C(NN=C1CCC[C@@H]1c1ccccn1)[C@@H]1CCS(=O)(=O)C1	794889253	QSOPWDXKAKUERZ-VXGBXAGGSA-N	321.402	1.256	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc2c(cc1O)OCO2	899996450	LROJJYRKPHARFJ-UHFFFAOYSA-N	311.363	1.028	50	20	DDGD	
Cc1cc(C)c(C(=O)NNc2cc(Cl)nc(N)n2)cc1C=O	793801446	VBDDCTFAHDRUEW-UHFFFAOYSA-N	319.752	1.898	50	20	DDGD	
CCOC(=O)[C@H]1CSCN1S(=O)(=O)CCCCCl	798223719	RBYADTVYVMABKK-SECBINFHSA-N	315.844	1.273	50	20	DDGD	
CO[C@H](C(=O)NNc1ncnc2ccsc12)c1cnn(C)c1	798980518	RXOHUWPNIWUIGE-JTQLQIEISA-N	318.362	1.256	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)c1cccc(C)n1)c1cccc(C#N)c1	795469649	UTHSNWYXEKVTIV-HNNXBMFYSA-N	324.340	1.410	50	20	DDGD	
CC[C@@H]1C[C@H]1NC(=O)NNC(=O)c1c(C)nc2ccccn12	798048346	VDSBAKWCBJFYJE-GHMZBOCLSA-N	301.350	1.385	50	20	DDGD	
N#C/C(=C/c1ccc(Br)cc1F)S(N)(=O)=O	798230343	PQSQSMKAYNPJFJ-BAQGIRSFSA-N	305.128	1.741	50	20	DDGD	
CSSCCNC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O	791100576	RTEIACFCCPAUCR-NXEZZACHSA-N	316.448	1.289	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cc2ccccn2c1	798315279	DTFQLJJTMGAAGU-UHFFFAOYSA-N	300.240	1.446	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2cccnn2)c(C)cc1C	797083872	JPIAOLFWXADKKC-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)C[n+]2ccccc2)cc1F	1321405173	RBKZWGQXNZZYPI-UHFFFAOYSA-O	302.329	1.662	50	20	DDGD	
Cc1conc1NC(=O)NNC(=O)COc1ccccc1F	1325361228	ZNTITKUQJQACPA-UHFFFAOYSA-N	308.269	1.354	50	20	DDGD	
O=C(CC1CCSCC1)NNC(=O)c1n[nH]c2c1CCCC2	1322588772	VDTBZMCHGRURSL-UHFFFAOYSA-N	322.434	1.583	50	20	DDGD	
CCN(C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br)C1CCC1	1328961392	FDBYVTTXIOTQTD-ZWNOBZJWSA-N	317.227	1.677	50	20	DDGD	
Cc1cccc([C@H](C)NC(=O)NNC(=O)C2CCNCC2)c1C	1325353976	FBVDAOKHYIJNHO-ZDUSSCGKSA-N	318.421	1.694	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@@H]2CCOC[C@H]2C)cc1	1324990411	UUCLGWQPDVHCBP-YPMHNXCESA-N	321.377	1.312	50	20	DDGD	
NCCCCNC(=O)NNC(=O)NCc1ccc(Cl)cc1	1326133196	OEYYYGUDNHMJIB-UHFFFAOYSA-N	313.789	1.092	50	20	DDGD	
CS[C@H](C)CC(=O)NNC(=O)c1cncn1-c1ccccc1	1323023947	BONMLLONXKMGOA-LLVKDONJSA-N	318.402	1.775	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1ncoc1[C@H]1CCCO1	1320650098	RKUFHMAYAKQPRH-MRVPVSSYSA-N	309.713	1.726	50	20	DDGD	
CCS[C@@H](C(=O)NNC(=O)c1n[nH]c2c1CCCC2)C(C)C	1321458694	UJKHFJVNTQDXQQ-CYBMUJFWSA-N	324.450	1.827	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1CCCc2cnn(C(C)C)c21	1320267569	MPBYMFFCUFBRDK-GFCCVEGCSA-N	323.397	1.208	50	20	DDGD	
CC(C)(C)OC(=O)N1CC2CC1(C(=O)NNC(=O)C1CCC1)C2	1335791375	ULVWVVYLCMYWFN-UHFFFAOYSA-N	323.393	1.333	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@]2(F)CCOC2)c1C	1258436604	IUUINKCAJXUTAC-MLGOLLRUSA-N	324.352	1.347	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=O)c2ccccc2F)c1C	1335350439	HNNKXBMSMIGFQT-UHFFFAOYSA-N	304.325	1.815	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)N[C@H]1CCCc2sccc21	1331537108	OVOIPPIKZNKVKY-JTQLQIEISA-N	305.363	1.493	50	20	DDGD	
CC1=NO[C@@](C)(C(=O)NNc2cccc(Br)n2)C1	1335984760	ZWPAMNXSKRXNCS-LLVKDONJSA-N	313.155	1.842	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)C12CCCN1CCC2	1330100770	UXCBSGCNTAZNNH-UHFFFAOYSA-N	317.389	1.915	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2ccc(Cl)nc2)nc1	1261240019	IEMBYCXHJPMXHD-UHFFFAOYSA-N	316.708	1.083	50	20	DDGD	
C[C@@]1(COC(=O)c2ccn3nnnc3c2)C[C@H]1Br	1263537013	JBWOIYAIVCHVRG-KCJUWKMLSA-N	311.139	1.455	50	20	DDGD	
Cc1ccc2oc(C(=O)NNc3ccc(C(=O)O)cn3)cc2n1	1600505024	RZXJYBUPKQXQGK-UHFFFAOYSA-N	312.285	1.986	50	20	DDGD	
CC(C)(C)[C@@H](C(=O)O)C(=O)NNC(=O)c1ccc(Cl)nc1	1602852878	SLVZPKHWNPWELV-SECBINFHSA-N	313.741	1.243	50	20	DDGD	
O=C(Cc1nc(C2CC2)n[nH]1)NNc1cccc(F)c1C(=O)O	1601375139	CVUSCTWUIWGPCF-UHFFFAOYSA-N	319.296	1.205	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1	1609653806	UTQXWVRVSUJIMO-UHFFFAOYSA-N	309.278	1.100	50	20	DDGD	
Cc1oc(C(=O)O)cc1C(=O)NNC(=O)NC1CCCCC1	1600826177	IWNUZFAUGUYYIY-UHFFFAOYSA-N	309.322	1.563	50	20	DDGD	
Cc1[nH]nc2ncc(C(=O)NNc3ccccc3C(=O)O)cc12	1607499852	FVXQSQHIHJCVOJ-UHFFFAOYSA-N	311.301	1.721	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@@]1(C(=O)O)CC=CCC1	1605687243	IVMASFKCFVFCRT-QGZVFWFLSA-N	316.357	1.578	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2ccc(F)c(C(=O)O)c2)CCCNC1	1604577180	FQFANAMNQOEQES-OAHLLOKOSA-N	324.356	1.540	50	20	DDGD	
Cc1cccnc1NNC(=O)c1ccc(-c2nn[nH]n2)cc1F	1605948281	YNKLOBJUXBMOMV-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
O=C(NNc1cccc(Br)n1)[C@H]1CC[C@H]1C(=O)O	1608480485	LWBJBCJKHULLRO-NKWVEPMBSA-N	314.139	1.398	50	20	DDGD	
O=C(O)Cc1occc1C(=O)NNC(=O)c1ccc(Cl)cc1	1608794368	XKRMMNBOLKHWRY-UHFFFAOYSA-N	322.704	1.635	50	20	DDGD	
O=C(NNC(=O)C(=O)O)N[C@H](c1ccc(Cl)cc1)C1CC1	1601552837	JZUMPDINSXBPAJ-JTQLQIEISA-N	311.725	1.206	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2cccc(C(=O)O)c2)[C@@H]1OC	1610028813	GAMHNCDRWCJGQV-UPJWGTAASA-N	323.349	1.203	50	20	DDGD	
O=C(NN=CC1Cc2ccccc2C1)[C@@H]1CN2CCC[C@H]2CO1	1549320722	NKQOSFIZFVNEGQ-IRXDYDNUSA-N	313.401	1.367	50	20	DDGD	
C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](F)Cl)[nH]n1	1821876460	XUWGSUSRFSUANE-CABZTGNLSA-N	312.732	1.569	50	20	DDGD	
N[C@@H](CCC(=O)NNC(=S)Nc1ccccn1)C(F)(F)F	1574284089	GYQDRHZQINKLHM-ZETCQYMHSA-N	321.328	1.069	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@]23CC[C@H]2CNC3)cc1	1579735163	DJKXYFFMZITMRR-LRDDRELGSA-N	319.430	1.234	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@]1(C)CNCCO1	1579646699	PXUCESPOZPFXBS-INIZCTEOSA-N	300.362	1.365	50	20	DDGD	
Cc1cccc2c1C[C@H](C(=O)NCCSS(C)(=O)=O)N2	1579775206	ABVHXWCSIRGZSN-GFCCVEGCSA-N	314.432	1.141	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@@]12CNC[C@@H]1CCO2	1579646901	ZAHHKUMQXIUJAU-SUMWQHHRSA-N	312.373	1.365	50	20	DDGD	
CC1(C)C[C@]1(C(=O)O)C(=O)NNC(=O)c1ccc(Cl)cc1	1589219221	JMGLDNDCJRMWNI-CQSZACIVSA-N	310.737	1.602	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)c2nccs2)C1	1842523906	LNLVVZKSIDQVJJ-QMMMGPOBSA-N	317.773	1.495	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@H]1CO[C@H](CCC(=O)O)C1	1594364788	FUWXIJURBAFYMJ-ZYHUDNBSSA-N	310.325	1.847	50	20	DDGD	
C[C@H]1CN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C[C@@H](C(=O)O)O1	1599908919	FYZPHZAMYXJBJV-UNWGMERASA-N	317.301	1.633	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1590385388	QAMXYXMHBCUGNH-ZDUSSCGKSA-N	324.772	1.778	50	20	DDGD	
CC/C=C(/F)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1590531762	GKIAGWKMFSNIBM-FNORWQNLSA-N	309.305	1.685	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@H]1CCCS1	1593161113	JOLLOBIDHAAIPQ-SNVBAGLBSA-N	324.797	1.859	50	20	DDGD	
COCC1(C(=O)NNc2cccc(C(=O)O)c2C)CCOCC1	1599187348	XCRNGJHAKXZRHT-UHFFFAOYSA-N	322.361	1.580	50	20	DDGD	
COC[C@@H](NC(=O)NNc1cccc(C(=O)O)c1C)C1CC1	1599173741	LQPZSYDYKDMKMZ-CYBMUJFWSA-N	307.350	1.744	50	20	DDGD	
CCc1nc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c(C)o1	1590910489	CCMJQAHPADFGAS-UHFFFAOYSA-N	313.321	1.482	50	20	DDGD	
CO[C@H](CC(=O)NNc1cccc(C(=O)O)c1)C(F)(F)F	1599043682	OQJKEHWTVPIZIO-SECBINFHSA-N	306.240	1.795	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1ccnn1-c1ccccc1	1595261721	HJPXQJWLWUQLSX-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1ccc(C(=O)O)c(OC)c1	1776116022	PSAHTPCCMVSIPN-YRNVUSSQSA-N	305.286	1.490	50	20	DDGD	
C[C@H](NC(=O)c1ccoc1)C(=O)NNc1cccc([N+](=O)[O-])c1	151804326	ONCUDXBHYMMDGJ-VIFPVBQESA-N	318.289	1.449	50	20	DDGD	
CNC(=O)NNC(=O)Cc1cccc(OCC(F)(F)F)c1	153345585	LRDVGBNLMJUTEG-UHFFFAOYSA-N	305.256	1.130	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(C#N)cn2)c([N+](=O)[O-])c1	155355628	QDXOARHEXKSNRJ-UHFFFAOYSA-N	313.273	1.627	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccc(C(N)=O)nn2)cc1Cl	154400162	GACGGSUVPPNONE-UHFFFAOYSA-N	305.725	1.294	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCN(c2ccccn2)CC1	88925234	WDSVCEBEIINMJF-UHFFFAOYSA-N	317.842	1.552	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)Cc2ccccc2)cc1	6448843	ZDGKDJOQEMHBHD-UHFFFAOYSA-N	309.325	1.327	50	20	DDGD	
Cc1ccsc1CCCC(=O)NNc1nccn(C)c1=O	119231601	YAWRKQFQCUZWGE-UHFFFAOYSA-N	306.391	1.616	50	20	DDGD	
O=C(NNc1ccccc1Cl)N[C@H]1CC(=O)N(C2CC2)C1	177612745	UOVWNGABEJGBEE-VIFPVBQESA-N	308.769	1.729	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1C1CC1)[C@H]1COc2ccccc2O1	176448793	XXQSYEGURAXDBE-JTNHKYCSSA-N	302.330	1.020	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1cccc(OCC#N)c1	113409154	IEHZPIMTBHDLDS-UHFFFAOYSA-N	318.377	1.856	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)cc1F)NNc1cccc(F)c1	119987064	LXCZXFDTVAYJOG-UHFFFAOYSA-N	323.274	1.977	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)NCc1ccoc1	175381495	RHGYRXBKTYZIKX-UHFFFAOYSA-N	313.317	1.000	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H](C)[C@@H]1CCC(=O)N1	1261818907	KLKMMTWBNNMYNK-SKDRFNHKSA-N	306.322	1.261	50	20	DDGD	
CC[C@H](C)NC(=O)[C@H](C)NC(=O)NNc1ccc(Cl)nn1	68635013	MKXNKRSXOYEMED-YUMQZZPRSA-N	314.777	1.059	50	20	DDGD	
Cc1cccc2c1CCN2[C@H](C)C(=O)NNC(=O)CC(C)C	111209036	GDNCSIMQGTZJOD-CYBMUJFWSA-N	303.406	1.940	50	20	DDGD	
CC(=O)CCCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	177960017	RXWJWTAIMCHJJT-UHFFFAOYSA-N	314.345	1.597	50	20	DDGD	
COc1ccc(OC)c(C(=O)NNC(=O)NC2CCCC2)c1	65921042	DLKPHEYTLVAKLI-UHFFFAOYSA-N	307.350	1.590	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncccn1)c1nc(C(C)(C)C)no1	173541961	GFOFPDBJGXBPHD-MRVPVSSYSA-N	305.342	1.544	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCCNC(C)=O)cc1	63653957	PVFKXNNQEXYMQJ-UVTDQMKNSA-N	301.346	1.245	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)N[C@@H]1C[C@H]2CC[C@@H]1O2	120994012	XZAQPCADWYPCEY-QNSHHTMESA-N	305.363	1.637	50	20	DDGD	
COC[C@@H]1CN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CCO1	183329181	SOGWBQGNNWBFHF-ODDCISTRSA-N	304.321	1.606	50	20	DDGD	
Cc1csc(NC(=O)NNC(=O)COCc2ccccc2)n1	120988755	XSDKCFJFYZNZEU-UHFFFAOYSA-N	320.374	1.821	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@H](O)c2ccccc2)c1	73525111	YMPDJBXBXYNMNR-OAHLLOKOSA-N	313.357	1.247	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(Br)c(C)n1	128733706	YGGGJAAIPZQZCM-UHFFFAOYSA-N	317.143	1.935	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)Cc1cc[nH]n1	186290774	ILMLPEUGRZNDMF-YPMHNXCESA-N	308.382	1.085	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(F)cc1Cl	180967538	FJZQLUYWOQVHQG-UHFFFAOYSA-N	315.732	1.611	50	20	DDGD	
CCCCN(CCOC)CC(=O)NNC(=O)c1ccccc1	182261958	IGIMRISUEDQMJQ-UHFFFAOYSA-N	307.394	1.196	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ncccc2C)cc1	186397170	AUEFDXCYUIFOIG-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NCc1ccco1	73117854	DDLCVQIOSXNGCH-UHFFFAOYSA-N	313.317	1.380	50	20	DDGD	
CC[C@@]1(C)CN(C(=O)NNC(=O)c2ccc(C)s2)CCO1	187905172	XXNVBVMGZGXWLA-AWEZNQCLSA-N	311.407	1.912	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)NCC1CCCC1	46887386	YQIURPCJLAGNGQ-UHFFFAOYSA-N	309.341	1.725	50	20	DDGD	
O=C(CC[C@@H]1CCCO1)NNC(=O)c1cccc([N+](=O)[O-])c1	46112834	XEPCDWZPLSXVPA-LBPRGKRZSA-N	307.306	1.315	50	20	DDGD	
C[C@@H](Oc1cccc2ccccc12)C(=O)NNC(=O)CN(C)C	193217946	JQCHJWZSTXSNIC-GFCCVEGCSA-N	315.373	1.316	50	20	DDGD	
CC#CCNC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	135973036	LUBDNTGWPUWRCQ-UHFFFAOYSA-N	312.276	1.647	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)/C=C(\C)C1CC1	193674705	IIBDQCJZTKAUFF-ZRDIBKRKSA-N	318.373	1.968	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1	81106587	WYRIRDVKCZHNOU-ZDUSSCGKSA-N	309.341	1.567	50	20	DDGD	
Cc1conc1NC(=O)C(=O)NNc1cc(F)c(F)cc1F	190487769	PBGYZSSHRSVMHS-UHFFFAOYSA-N	314.223	1.482	50	20	DDGD	
COc1ccnc(NNC(=O)c2n[nH]c3c2CCCCC3)n1	190105583	UQBSJIYHECIQDM-UHFFFAOYSA-N	302.338	1.234	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2sc(C)nc2C)c(O)c1	80387556	OLUBRQYTTNGCRA-UHFFFAOYSA-N	305.359	1.849	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCCc1nccs1	195169160	HYCZCSPUKPLFHG-UHFFFAOYSA-N	318.402	1.649	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NC[C@@H]1CCC[C@@H](O)C1	194684723	YWTXVLQNBNGSMR-HMPIOBDVSA-N	300.358	1.966	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)NC(=O)C2CCCC2)o1	84374224	PVIWDEJELGBYPG-SNVBAGLBSA-N	307.350	1.044	50	20	DDGD	
CCn1cc(C(=O)NN=c2sc3ccccc3n2C)cn1	255068467	OZRLVCKBVUGWQE-UHFFFAOYSA-N	301.375	1.702	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H]2CCOC2)c1C	255003360	HYWMVRAKPQIKOW-TYWAAFNRSA-N	317.389	1.563	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	268342696	PJMSESWWMSQUTE-UHFFFAOYSA-N	320.305	1.048	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)[C@H]1CCN(C)C1=O	265622777	BZTHDWCXECXCKL-NSHDSACASA-N	312.801	1.041	50	20	DDGD	
CSC[C@@H](C)NC(=O)NNC(=O)COc1cccc(C)c1	265477457	NWQYMAHJHKDJLC-LLVKDONJSA-N	311.407	1.456	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N(C)CC[C@@H](C)O)cc(C#N)n1C	268064564	BJOHZQFQJHOZJQ-LLUUXILJSA-N	300.362	1.341	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC2([C@@H](C)CCO)CCC2)o1	272158592	ZIEVJVQDDCLUCE-NSHDSACASA-N	323.393	1.721	50	20	DDGD	
COCCc1ccc(OS(=O)(=O)CBr)cc1	271336316	FLBDNWVFPPAAKW-UHFFFAOYSA-N	309.181	1.937	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccn(-c2ccc(F)cc2F)n1	274300680	FZHCYAJGJONGDQ-UHFFFAOYSA-N	322.315	1.958	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(-n2nccc2C)cc1	272642826	DVCPUVWADTVQEE-UHFFFAOYSA-N	301.350	1.487	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc(OC)c1O	278845649	RZOQQHIAWBVKNE-BXUZGUMPSA-N	320.345	1.143	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC	276630571	VOKBABNSPAKKGF-QMMMGPOBSA-N	315.713	1.891	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc(N(C)C)c2)CCO1	271214076	DVTKNLSPUZVMRC-DGCLKSJQSA-N	320.393	1.264	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H]2CCO[C@@H](C)C2)n1	271985299	KDIOCCCSIFUKCD-NWDGAFQWSA-N	307.398	1.581	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C[C@H]2CCC(=O)[C@H]2C)c1O	279950829	BDODPHQZYXKGHZ-VHSXEESVSA-N	320.345	1.167	50	20	DDGD	
COCCOc1cc(C(=O)NNC(=O)CC(C)(C)C)ccn1	272238372	NCYKXLUIEXUJJD-UHFFFAOYSA-N	309.366	1.304	50	20	DDGD	
COC(=O)c1ccc(OC[C@H](O)CN2CC=C(C#N)CC2)cc1	272353716	AOQRKBDBEFYDRR-OAHLLOKOSA-N	316.357	1.369	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@H]2CCO[C@H](C)C2)nc1C	272149157	FVPRVHDVXRGQNV-KOLCDFICSA-N	322.365	1.220	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@@H]1CCN(c2ccccn2)C1	270058001	KAIRSIOBEIWDMK-LLVKDONJSA-N	321.381	1.399	50	20	DDGD	
CN(C)C(=O)c1cc(NC(=O)NNC(=O)CC2CC2)ccc1F	273433678	LPYWLRZKUAPBTP-UHFFFAOYSA-N	322.340	1.480	50	20	DDGD	
COC(=O)N(C)c1ccc(NC(=O)NNC(=O)CC2CC2)cc1	273521282	WMVNOJVHMVAOTE-UHFFFAOYSA-N	320.349	1.842	50	20	DDGD	
COC[C@@H](NC(=O)NNc1ccc(Cl)nc1)[C@H]1CCCO1	279794237	VYTCEJMPNWGDRN-GHMZBOCLSA-N	314.773	1.555	50	20	DDGD	
CN1CCC2(CCN(CCI)CC2)C1=O	373176797	CYPNUXJXPWMTKT-UHFFFAOYSA-N	322.190	1.366	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2[nH]ccc2C)nc1C	280977294	CNRDFBOQEQONGF-UHFFFAOYSA-N	303.322	1.355	50	20	DDGD	
CCOC(C)(C)CNC(=O)NNc1ccc(-n2ccnc2)nn1	287179439	OOZUQSLILREHCY-UHFFFAOYSA-N	319.369	1.104	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)c2c[nH]c3ccccc23)CC1	282986295	KSVBNPNEHHBPMG-UHFFFAOYSA-N	301.346	1.746	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2CCN(C3CC3)CC2)c1	280341115	TZLNVPYQDGTPHJ-UHFFFAOYSA-N	317.389	1.791	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@H]1CC1(F)F	295418993	CGYBATDOBXHBKR-OIBJUYFYSA-N	318.707	1.910	50	20	DDGD	
Cc1cc(C(F)(F)F)nn1CC(=O)NNC(=O)CC(C)C	809986804	OSKBKCUZAUBOSO-UHFFFAOYSA-N	306.288	1.404	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2cccc(C#N)c2)SCCO1	806791123	ZDFAENXDIISFJY-UHFFFAOYSA-N	303.343	1.314	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c(Cl)n1	293766592	AFHAVRAIEUSYMC-UWVGGRQHSA-N	311.769	1.680	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNC(=O)Nc1cc(F)cc(F)c1	802007120	XLXALNOMUIQBNZ-ZDUSSCGKSA-N	322.315	1.215	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)CN(C)C)c(Cl)c1Cl	295394369	YSWSZSJTEXTKJW-UHFFFAOYSA-N	305.165	1.019	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CSC(F)F)cc1	299232120	FCFYYJHXBCBXGC-UHFFFAOYSA-N	304.318	1.477	50	20	DDGD	
Cc1ccc2c(c1)CC[C@@H](C(=O)NNc1ncncc1F)O2	294176026	WNAZKIPUDDUGBB-ZDUSSCGKSA-N	302.309	1.761	50	20	DDGD	
COc1ccc(CC(=O)NNc2ccc3c(=O)[nH]ccc3c2)nc1	803428591	AQLMPZMURPWBLJ-UHFFFAOYSA-N	324.340	1.618	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NC[C@H]1C[C@@H]1C	298775859	ZFSCFIXZCRAWHR-GARJFASQSA-N	309.341	1.579	50	20	DDGD	
COc1ccc(OC)c(CNC(=O)NNC(=O)C(C)(C)C)c1	298667339	RMSQFQJIUQVYLX-UHFFFAOYSA-N	309.366	1.580	50	20	DDGD	
CC(C)CN1CC[C@@H](CNC(=O)NNc2ncccc2F)C1	805198396	OYZJDIJNLCQSHB-LBPRGKRZSA-N	309.389	1.825	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc(OC2CCCC2)nc1	294118079	KFVSZRNEEDBELA-UHFFFAOYSA-N	303.362	1.964	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@]2(C#N)CC23CCCC3)nc1	295503164	KVNGSXYMPNAPAN-MRXNPFEDSA-N	314.345	1.785	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c(C)c1	292903356	KDLJTTUSYKRJCH-GWCFXTLKSA-N	307.350	1.724	50	20	DDGD	
O=C(CC[C@H]1CCCO1)NNC(=O)Nc1ccc2c(c1)OCO2	802093025	MRCSEZPYJSMBGP-LLVKDONJSA-N	321.333	1.527	50	20	DDGD	
CCC[C@@H](C)C(=O)NCCNC(=O)NNc1nc(C)cc(C)n1	292745314	JKEHRAUYISGAFN-SNVBAGLBSA-N	322.413	1.272	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1CCN(c2ccccc2F)C1	294067099	KMZFXHXLMIWEAP-XZHRJIJLSA-N	303.337	1.965	50	20	DDGD	
O=C(NNc1ncncc1F)NC1CCN(C2CCCC2)CC1	292779765	TZUCXAYNFFXYTE-UHFFFAOYSA-N	322.388	1.649	50	20	DDGD	
O=C(NCCN1CCCOCC1)NNc1cc(Cl)ccn1	297233435	XAMVXERXTMRAOH-UHFFFAOYSA-N	313.789	1.083	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cc(F)cc2nn[nH]c12	800520404	BPJDHTKMHBSWRE-UHFFFAOYSA-N	316.252	1.762	50	20	DDGD	
C=CCC(C)(C)C(=O)NNC(=O)Cc1cn2ccccc2n1	293130061	FSLGJZYTUXOOHU-UHFFFAOYSA-N	300.362	1.627	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)nn1C	802005291	BMGJFWPAEPFQGI-UHFFFAOYSA-N	309.276	1.473	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@H]1C(=O)OCC1(C)C	819779178	UHERPLAGTBXRIK-YUMQZZPRSA-N	306.200	1.864	50	20	DDGD	
O=C(NCCc1ccc(F)c(F)c1)NNc1ncncc1F	814322755	PXVWOMYIVDTKRJ-UHFFFAOYSA-N	311.267	1.763	50	20	DDGD	
CCNC(=O)c1cccc(NC(=O)NNc2ncncc2F)c1	814516291	JXTDKWPYWCCMTM-UHFFFAOYSA-N	318.312	1.514	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2ccn(C)n2)o1	814820661	MOGPEWDOCAABKA-UHFFFAOYSA-N	303.366	1.619	50	20	DDGD	
COC(=O)c1ccc(Cl)c(C(=O)NNC(=O)C(C)(C)C)c1	810147238	HQDPBAXDBRSZOT-UHFFFAOYSA-N	312.753	1.934	50	20	DDGD	
CSSCCNC(=O)N1C[C@@H](C)S(=O)(=O)[C@H](C)C1	811916034	NHDSPBYUYJLCFO-RKDXNWHRSA-N	312.482	1.215	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2ccc[n+]([O-])c2)cc1C	812722724	XSSMICVEGCJDHR-UHFFFAOYSA-N	315.329	1.562	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2cc(CO)ccc2O)cc1	814712421	XDIILPXVIFDQAA-UHFFFAOYSA-N	313.357	1.755	50	20	DDGD	
CC(CCCCCCC(=O)O)=NNC(=O)N1CCN(C)CC1	814913650	SGZMTCUGJDCXRC-UHFFFAOYSA-N	312.414	1.745	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NN=C2CCS(=O)(=O)CC2)c1	814720543	LBSDSOHMBARXAE-UHFFFAOYSA-N	324.402	1.363	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C[C@H](C)n1cccn1	819264066	JXWKAKGRHJGBHA-NSHDSACASA-N	302.334	1.304	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)[C@@H]2CC23CCC3)cc1	812731846	WYQHYQRTCFKLBL-ZDUSSCGKSA-N	323.418	1.570	50	20	DDGD	
CC(C)c1nn(C)cc1C(=O)NNC(=O)c1ccccc1O	819821289	WBXCRQKXIVCQAY-UHFFFAOYSA-N	302.334	1.324	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NNc1ncncc1F	817071127	QCMOWDKZKUBMQK-QPUJVOFHSA-N	304.281	1.287	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(F)c(Br)c1	495691403	AWQIQSXFMFMHMX-UHFFFAOYSA-N	305.103	1.931	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@@H]1CCCCN1Cc1ccccc1	823952638	SQZDYQUESKUHSO-ZBFHGGJFSA-N	305.422	1.385	50	20	DDGD	
Cc1ccc(Br)cc1C(=O)NN(C)[C@@H](C)CO	823952856	UXWAPKWHXBICBH-VIFPVBQESA-N	301.184	1.715	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)s1	826281974	ROVUIMLWATTYOR-UHFFFAOYSA-N	300.347	1.994	50	20	DDGD	
CC(C)(C)c1nsc(NC(=O)NNC(=O)c2cc[nH]n2)n1	820857451	YOEIWHHLWPQFAG-UHFFFAOYSA-N	309.355	1.025	50	20	DDGD	
Cc1cc(O)nc(CNC(=O)[C@H](Br)C(C)(C)C)n1	827610865	BRNCUXQLNXRSDO-JTQLQIEISA-N	316.199	1.916	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)NNc1ccccn1)C2	496754928	FSWHRYCTHOYSBM-SRVKXCTJSA-N	302.334	1.168	50	20	DDGD	
CCOC(=O)N[C@H](C(=O)NNc1ccc(Cl)nc1)C(C)C	492027271	YWQGLQAOEIGSSN-NSHDSACASA-N	314.773	1.949	50	20	DDGD	
Cc1sc(C(=O)NN(C)[C@H](C)CO)cc1Br	823912649	JHPBEDYZQSAMPX-ZCFIWIBFSA-N	307.213	1.776	50	20	DDGD	
N#CCc1cccc(C(=O)NNC(=O)c2cccc(C#N)c2)c1	728826443	HSSOIIOJBIRNIP-UHFFFAOYSA-N	304.309	1.699	50	20	DDGD	
Cc1cnc([C@H](NCc2ccc(B(O)O)cc2F)C2CC2)s1	585025113	MBGROWVGPHAJJC-CQSZACIVSA-N	320.198	1.511	50	20	DDGD	
O=C(C[C@@H]1CCS(=O)(=O)C1)NNc1ccc(F)c(F)c1F	728717337	QKUPSMLVFNCBJI-ZETCQYMHSA-N	322.308	1.372	50	20	DDGD	
O=C(O)[C@@]1(C(=O)N2C[C@H]3[C@H](Br)[C@H]3C2)CC=CCC1	902740858	FASUBOJQIADRBE-WTBMIXGQSA-N	314.179	1.649	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=O)c2cc(OC)cc(OC)c2)CC1	822200298	BBDUYZKIVXBVCW-UHFFFAOYSA-N	320.345	1.224	50	20	DDGD	
CC[C@H](CC(F)(F)F)c1nc(-c2ccc(B(O)O)cc2)no1	585053903	ITIRMRZWSXJNEX-MRVPVSSYSA-N	314.072	1.862	50	20	DDGD	
CCN1CCCN(C(=O)[C@@]2(C)C[C@@H]2Br)CC1=O	907650673	HAEKVACQPANONR-CABZTGNLSA-N	303.200	1.241	50	20	DDGD	
CC(C)[C@]1(CO)CCCN(C(=O)/C(C#N)=C/c2cnn(C)c2)C1	491138449	ZAMLZMWAUUYUQY-SXKJYUOZSA-N	316.405	1.584	50	20	DDGD	
CCC(=NNC(=O)c1ncon1)c1cccc(OC)c1OC	901285113	FGSNPTFUHUMHOO-UHFFFAOYSA-N	304.306	1.631	50	20	DDGD	
C[C@H](COc1ccc(F)cc1)NCc1ccc(B(O)O)cc1	585018029	FPERYIMDGSQEMP-GFCCVEGCSA-N	303.142	1.063	50	20	DDGD	
CCOCC(=O)NN=Cc1sc(N2CCCC2)nc1Cl	735971598	NBTUCSFAQGOVEV-UHFFFAOYSA-N	316.814	1.883	50	20	DDGD	
C[C@@]1(C(=O)N(CCO)Cc2cccnc2)C[C@H]1Br	907070892	HWCFUJGWFXSSRN-DGCLKSJQSA-N	313.195	1.576	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1ccc(C(=O)O)nc1	901154443	BXHLKWNLTIODSY-GFCCVEGCSA-N	318.377	1.352	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cnn([C@@H](C)c2ccccc2)c1	831927630	OQOFCHNRDUEEKX-NSHDSACASA-N	317.349	1.292	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCc2cnccn2)cc1	838537432	ZHVDXRAEESLAFG-UHFFFAOYSA-N	301.350	1.744	50	20	DDGD	
COc1ccc([C@@H](NCc2ccc(B(O)O)cc2)C(C)C)cc1	585015487	ZSPMGXLRNKUGSG-SFHVURJKSA-N	313.206	1.862	50	20	DDGD	
OB(O)c1ccccc1CNC[C@H]1CCO[C@@H]1c1ccccc1	585037042	RERWGXYYNUTKHS-SJLPKXTDSA-N	311.190	1.234	50	20	DDGD	
C[C@@H](NC(=O)C(C)(C)C)C(=O)NNc1cnnc2ccccc12	733808778	IPQLPWGOSQSQEK-SNVBAGLBSA-N	315.377	1.624	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@H]1c1ccccc1)c1ncon1	832826140	RUMFEWGQJWQUAV-NWDGAFQWSA-N	300.318	1.415	50	20	DDGD	
O=C(CO)NN=C1CCCCc2ccc(Br)cc21	834970744	OOLSLLWJXAMIBM-UHFFFAOYSA-N	311.179	1.988	50	20	DDGD	
CC(C)OCc1ccc(C(=O)NNC(=O)c2cnn(C)c2)cc1	735446034	QBARGBARWNFLRD-UHFFFAOYSA-N	316.361	1.420	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H]2CCN(C3CC3)C2)cccc1[N+](=O)[O-]	734279456	NAJMRPUGUVPTOB-LLVKDONJSA-N	319.365	1.766	50	20	DDGD	
CC1(C)OC[C@@H](CNC(=O)NNc2ncc(F)cc2F)O1	838542086	BUMWTQIDFCFZQQ-MRVPVSSYSA-N	302.281	1.137	50	20	DDGD	
COc1ccc(C(C)(C)CNCc2ccccc2B(O)O)cc1	585022088	IZLGCXGNRLXLDX-UHFFFAOYSA-N	313.206	1.442	50	20	DDGD	
CCCN(C)CC(=O)NNC(=O)Cc1c[nH]c2ccccc12	730104023	OLWWJZSCFWKYHH-UHFFFAOYSA-N	302.378	1.200	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H](C)Cc1cnn(C)c1	837514379	SMHKLVNGWMJPSU-NSHDSACASA-N	316.361	1.529	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)C2(COC)CCCC2)n1	839704789	WVZQAINKASDGBW-UHFFFAOYSA-N	321.425	1.973	50	20	DDGD	
CCn1cc(CC(=O)N2CC[C@H](B(O)O)C2)c2ccccc21	585067587	YLCAUSYEJLGKDE-ZDUSSCGKSA-N	300.167	1.279	50	20	DDGD	
N#CC1=CCN(C(=O)[C@H]2CSC(c3ccccc3O)=N2)CC1	831489176	ZRTFLVLRGATUCU-CYBMUJFWSA-N	313.382	1.936	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2cc(C(F)(F)F)ccn2)CC1=O	832963358	XYYJPWCVSBIBQC-MRVPVSSYSA-N	316.283	1.412	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@H](c1ccccc1)N1CCCCC1=O	910163516	DULNNGNKBDSWFK-CJNGLKHVSA-N	319.405	1.084	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H](CC1CC1)NC(=O)OC(C)(C)C	910181514	BZIVIUFGTUZQBZ-CMPLNLGQSA-N	315.414	1.024	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C[C@@H]2C[C@H]3CC[C@H]2O3)cc1	836214886	WEQNLUJJQNCMMK-NWANDNLSSA-N	318.373	1.479	50	20	DDGD	
C[C@@H]1CCCC1=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	736258513	BHLCQOJSBRMHHB-SNVBAGLBSA-N	314.349	1.538	50	20	DDGD	
Cn1cc(CCC=NNC(=O)[C@@H]2COc3ccccc3O2)cn1	834918300	RYADGIOEIUGQPG-HNNXBMFYSA-N	314.345	1.295	50	20	DDGD	
CC(C)c1nn(C)cc1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	831769847	ZVKKSUBPIZVHKG-UWVGGRQHSA-N	309.370	1.121	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H](C)COCCOC)cc1	838491817	MRSPSOWJNFJTSV-LBPRGKRZSA-N	311.382	1.763	50	20	DDGD	
COc1cc(OC)cc([C@H](NNC(=O)c2ccc[nH]2)C(=O)O)c1	832066019	JYBJDQOOAUZHQQ-ZDUSSCGKSA-N	319.317	1.092	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1C(=O)NNC(=O)CC(F)(F)F	918366985	HLSPDFXDURRMIL-UHFFFAOYSA-N	306.288	1.431	50	20	DDGD	
CCCOc1ccc(NC(=O)NNC(=O)CCCN)c(C)c1	841073425	SZFPGDJUORLXRR-UHFFFAOYSA-N	308.382	1.675	50	20	DDGD	
CCc1ccc(NC(=S)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	843276921	KPRLWKHLVNZEOP-MFKMUULPSA-N	307.419	1.992	50	20	DDGD	
COCc1nn(C)cc1C(=O)NNc1ccc(F)cc1OC	846640288	OXUNRRXSKKSDIB-UHFFFAOYSA-N	308.313	1.471	50	20	DDGD	
NC[C@@H]1CCCC[C@@H]1NC(=O)NNc1ncnc2ccsc12	841952575	CFCMFTXRYQBWFS-UWVGGRQHSA-N	320.422	1.835	50	20	DDGD	
Cc1c(NNC(=O)Cn2cc([N+](=O)[O-])cn2)cccc1[N+](=O)[O-]	748683149	RBDJFHVPVVCREV-UHFFFAOYSA-N	320.265	1.151	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1CC(=O)NNc1nc(-c2ccncc2)no1	746201989	SEKDGQBPWKAQDK-PHIMTYICSA-N	316.365	1.448	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C[C@@H](C)c1ccccc1F	843648953	SJZBGVLVPULEOA-NTZNESFSSA-N	308.353	1.892	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)[C@H]2COc3ccccc3O2)[C@H]1OC	841602811	CJFLMBDVCUTLBF-RBSFLKMASA-N	320.345	1.122	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)n1	914754877	HNTKQJVQHYHBLW-NSHDSACASA-N	305.382	1.184	50	20	DDGD	
Cc1ccc2nc(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)ccc2c1	843657173	CFUIBUAQHPADJS-WCQYABFASA-N	313.357	1.729	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1nnc(C(C)(C)C)s1	843970254	CRESBSMAILZRPC-HTQZYQBOSA-N	312.395	1.022	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2nc(C)cc(OC)n2)s1	746628161	VGWOIJQETATNBJ-UHFFFAOYSA-N	322.346	1.399	50	20	DDGD	
Cc1cccc(C)c1OCCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843648188	WJXCIFGMCLZRCO-KGLIPLIRSA-N	320.389	1.645	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)NC2CC2)cc1)c1cccnc1	912775599	XIIFHASRSAADBQ-UHFFFAOYSA-N	308.341	1.738	50	20	DDGD	
O=C(NNc1cccc(F)c1)[C@@H]1CCCN1c1ncccn1	748087138	HNGRDEVGTQIVGV-ZDUSSCGKSA-N	301.325	1.728	50	20	DDGD	
O=C(NNc1ncncc1F)[C@@H]1CCN(Cc2ccccc2)C1	848123236	WFYXXOICVGAGIJ-CYBMUJFWSA-N	315.352	1.581	50	20	DDGD	
CN(NC(=O)c1ccccc1S(=O)(=O)C(F)(F)F)C1CC1	848228867	CMILQKRBJIAJGU-UHFFFAOYSA-N	322.308	1.719	50	20	DDGD	
COCCN(C)NC(=O)C1CCC(OC[C@@H]2CCCO2)CC1	848378245	MXCMIAPNWSQGDU-NRXISQOPSA-N	314.426	1.350	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@@H](N2CCCC2)CC1	744404117	HKDZALZFYQPUDC-CQSZACIVSA-N	324.469	1.130	50	20	DDGD	
CSc1nc(O)nc(C)c1C(=O)NNC(=O)c1ccccc1	747199395	MPYZOACMCCPAEX-UHFFFAOYSA-N	318.358	1.287	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)cn1	745876001	LKAGQWXYGVGFNU-GMXVVIOVSA-N	305.382	1.333	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc2c(c1)CCCC(=O)N2	920821877	PTCKVUZCHCMNPJ-UHFFFAOYSA-N	318.377	1.706	50	20	DDGD	
C[C@@]1(CNC(=O)NOC2CCOCC2)C[C@H]1Br	856850277	WMJIDWMKFHNOPS-KOLCDFICSA-N	307.188	1.570	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C[C@H](C)n2ccnc2)c1O	846631582	ADWWVSJFLFDKNR-JTQLQIEISA-N	318.333	1.010	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCc1nc2c(s1)CCC2	926575188	YGVBEWKMGMLJNI-UHFFFAOYSA-N	310.423	1.551	50	20	DDGD	
C[C@H](O)CN(C(=O)NC[C@@]1(C)C[C@H]1Br)C1CC1	856958073	DUSHPYRFBXHISY-MKPLZMMCSA-N	305.216	1.715	50	20	DDGD	
C[C@H](OC[C@@H]1CCCCO1)C(=O)NNC(=O)CC(F)(F)F	921203419	JJXSJVRQIUUVSN-IUCAKERBSA-N	312.288	1.060	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)NC2CCCC2)c1C(F)(F)F	744053328	WADBELGVRNQDNT-UHFFFAOYSA-N	319.287	1.326	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNc2nc[nH]n2)CC1	844142607	GFDYIYQIBHLOCQ-JTQLQIEISA-N	324.385	1.285	50	20	DDGD	
O=C(NC[C@@H]1CCCNC1)NNC(=O)c1cccc(Cl)c1	841925863	HVKNZUJVGAHTEZ-SNVBAGLBSA-N	310.785	1.284	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cccc(OC[C@H]2CCCO2)c1	921041563	ASBYPLLJCVTIJS-CQSZACIVSA-N	321.377	1.598	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@@H]1CCN1C1CCCC1	858087480	YSMBJMKYPIPFFO-ZDUSSCGKSA-N	306.366	1.127	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)COc2ccccc2C)nc1	759725072	KNRDFMDUTFXYIO-UHFFFAOYSA-N	315.329	1.699	50	20	DDGD	
COc1cc(C(=O)NN=C[C@H](OC)C2CC2)cc(OC)c1OC	853259673	MWANEBPUQAYFPC-AWEZNQCLSA-N	322.361	1.853	50	20	DDGD	
O=C(CCOC[C@H]1CCCO1)NNc1ncc(Cl)cn1	857355642	HRGMINWCQZMXOO-SNVBAGLBSA-N	300.746	1.159	50	20	DDGD	
CC(=O)N[C@H](CCC(C)C)C(=O)NNC(=O)Nc1ccccc1	854377227	QUDUWQJAFLZFCW-CQSZACIVSA-N	320.393	1.780	50	20	DDGD	
C=CCOc1cc(OC)ccc1C(=O)NN(C)C(=S)NC	854922673	PLEMSEVIWJTIIX-UHFFFAOYSA-N	309.391	1.341	50	20	DDGD	
CCC[C@@H]1C[C@H]1C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855834602	WTBLYRJYLBBTOB-VXGBXAGGSA-N	311.426	1.513	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)N[C@H]2C=CCC2)cc1OC	852512984	RJHBYIURWXCFFH-LBPRGKRZSA-N	319.361	1.757	50	20	DDGD	
CC[C@@H](CN1CCCC1)NC(=O)NNC(=O)c1ccc(C)o1	758848362	WYFOJHGNBPIYDA-LBPRGKRZSA-N	308.382	1.406	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2C[C@@H]2C2CC2)cc1OC	751211422	QLYDUVLSCCAKLF-NEPJUHHUSA-N	304.346	1.511	50	20	DDGD	
COc1ccc(OC)c(C(=O)NNc2ncccc2[N+](=O)[O-])c1	759292986	YPNWYIJFIQHOMR-UHFFFAOYSA-N	318.289	1.764	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc2sc(C)nc2c1	757983799	AEYMWYPFWMMSAX-UHFFFAOYSA-N	308.363	1.794	50	20	DDGD	
CCn1cc(Br)cc1C(=O)NNC(=O)C1CC1	750658263	FNNNNGHDFJNMEC-UHFFFAOYSA-N	300.156	1.442	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(OC[C@H]2CCCO2)cc1	854929879	WPZLWPYKEGGZQT-CYBMUJFWSA-N	323.418	1.325	50	20	DDGD	
CN1CCCC(=NNC(=O)c2cc(Br)c[nH]2)CC1	758097705	HDASTOZOAFCZAO-UHFFFAOYSA-N	313.199	1.979	50	20	DDGD	
CCC[C@@H](O)CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	750051524	JQRFTYOLUUNHFD-DLUQRMLASA-N	308.422	1.901	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2cnccn2)c2cccnc12	753939510	DGDUHXAJCAPLJF-UHFFFAOYSA-N	322.328	1.415	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC12CCC2)[C@@H]1COc2ccccc2O1	759691258	VGIRRNVHNVSKHL-MFKMUULPSA-N	302.330	1.164	50	20	DDGD	
CC(=O)N[C@H](CCC(C)C)C(=O)NNC(=O)c1ccccc1C	854245777	GBNAPHREJRFCIL-OAHLLOKOSA-N	319.405	1.697	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)Cc1c[nH]c2ccccc12	755049389	LNWPVNBVZGRLIK-LLVKDONJSA-N	303.362	1.530	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2C[C@@H](C)Cc3c[nH]nc32)nc1	857867575	ZJFUBIWUSMWIGB-JOYOIKCWSA-N	301.350	1.623	50	20	DDGD	
C=C[C@H](C)NC(=O)NNC(=O)c1ccc(OCC)c(OC)c1	756970714	DRMCAHJMGBTGGO-JTQLQIEISA-N	307.350	1.612	50	20	DDGD	
CN1[C@H]2CC[C@H]1CC(NC(=O)NNc1ncc(Cl)cn1)C2	856912668	PMWYEIRTTGOOJE-QWRGUYRKSA-N	310.789	1.381	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)[C@@H](C)C2(C)CC2)cc1	752357089	XWWGOBFZIDTYOA-ZDUSSCGKSA-N	303.406	1.876	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)c1	858296587	QWQFKNFROBGLTN-PWSUYJOCSA-N	322.434	1.483	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)ccn1	855832459	CWAFANLNLRDBAU-UHFFFAOYSA-N	320.393	1.094	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@@H](C)c1ccco1	859812628	TZUKCZNSWKYTRW-VXGBXAGGSA-N	324.377	1.898	50	20	DDGD	
O=C(NN=Cc1cccc(OC2CC2)c1F)C(=O)NC1CC1	853282834	SOTSGVFCTVIQQJ-UHFFFAOYSA-N	305.309	1.096	50	20	DDGD	
COc1ccccc1C(C)(C)C(=O)NNC(=O)Cc1cc[nH]n1	755284201	POKNNBHTNYKYCQ-UHFFFAOYSA-N	316.361	1.086	50	20	DDGD	
CN(C)c1cnc(C(=O)NNc2ccc(C#N)c(Cl)c2)cn1	753313154	JTSLYFNJZNDAFX-UHFFFAOYSA-N	316.752	1.825	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1cccc2[nH]ccc12	868736083	LKXLXJDMYZUMMN-JQWIXIFHSA-N	316.361	1.423	50	20	DDGD	
CN(CC(=O)NNc1nnc(-c2ccccn2)s1)C1CCC1	863909413	VJPXOZARURFGKY-UHFFFAOYSA-N	318.406	1.528	50	20	DDGD	
CCCOc1ccc(NC(=O)NNC(=O)c2cn[nH]c2)c(C)c1	860498601	ZKXBDRHRYUVAQD-UHFFFAOYSA-N	317.349	1.973	50	20	DDGD	
Cn1nnc(COC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)n1	869461001	YVMBAMVDMOIFOK-DKCNOQQISA-N	315.171	1.207	50	20	DDGD	
C[C@H](NNC(=O)c1cn(Cc2cccs2)nn1)C(F)(F)F	862311922	WQHPLNXUBLTYIF-ZETCQYMHSA-N	319.312	1.573	50	20	DDGD	
CSCC[C@H](NC(N)=O)C(=O)NNc1ccc(C)c(F)c1	862226971	RMTQCKJILNGMLS-NSHDSACASA-N	314.386	1.367	50	20	DDGD	
C[C@@H](NNC(=O)CCNC(=O)c1ccc(F)cc1)C(F)(F)F	862309422	PPPFFORUGJNZIG-MRVPVSSYSA-N	321.274	1.517	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H]2C[C@H]2c2cncn2C)c1	862480014	KTNKZZMQRUHJPV-NXEZZACHSA-N	304.375	1.355	50	20	DDGD	
CCc1nnc(-c2ccc(NC(=O)NNC(=O)C3CC3)cc2)o1	764670617	CKSUNBUETAINBC-UHFFFAOYSA-N	315.333	1.862	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)C1(c2ccccn2)CC1	868028199	RERLZLMSESMQPL-UHFFFAOYSA-N	302.256	1.006	50	20	DDGD	
Cc1cc(C)c(C=NNC(=O)Cn2nnc(-c3ccccc3)n2)[nH]1	760224367	PSWFVWUNKMQJJW-UHFFFAOYSA-N	323.360	1.435	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccc(-n2cncn2)nc1	768502938	DLEOWOKWJQZLFF-UHFFFAOYSA-N	320.316	1.296	50	20	DDGD	
Cc1sc(S(=O)(=O)NNC(=O)CC(C)C)cc1[N+](=O)[O-]	767436903	BMPQQAOCQYRKAA-UHFFFAOYSA-N	321.380	1.320	50	20	DDGD	
CCCN(NC(=O)[C@@H](C)[C@H]1CCC(=O)N1)C(=O)OC(C)(C)C	861678323	XXLOMJAOVIUINX-WDEREUQCSA-N	313.398	1.579	50	20	DDGD	
Cc1ccc(NCCNC(=O)/C(C#N)=C/c2cnn(C)c2)nc1	1119904626	GBLXMORVPNPMSF-VGOFMYFVSA-N	310.361	1.259	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)c1cc([N+](=O)[O-])c[nH]1	765313395	FIDPIURUUFGIRQ-UHFFFAOYSA-N	304.291	1.685	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NN=c2sc3ccccc3n2C)CCO1	769734605	DHBJDVPRSMEXIB-GHMZBOCLSA-N	320.418	1.922	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@H](C1CC1)C(F)(F)F	879587852	GOQBMODAUPGTCG-SECBINFHSA-N	309.288	1.084	50	20	DDGD	
COc1ccnc(NNC(=O)C(=O)Nc2cc(C)ccc2C)n1	773725961	CVXSXCQPBSHYHC-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)C1(C(=O)NC2CC2)CC1	777463179	GYGUGDYHUSOEKY-UHFFFAOYSA-N	310.357	1.737	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)CC2(O)CCC2)c1	874946849	YFNSCAUMYUIJPJ-UHFFFAOYSA-N	311.382	1.757	50	20	DDGD	
CCN(CC1CC1)C(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1118821090	YQYDOJJZZWAGFE-MFKMUULPSA-N	317.227	1.535	50	20	DDGD	
Cc1cccc(N)c1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	772134874	DSXDTEZCLACQMS-LLVKDONJSA-N	321.377	1.316	50	20	DDGD	
C[C@@H]1C[C@@H]1CNC(=O)NNC(=O)c1nc2ccccc2s1	872826465	YAIQJOBSQAGTKF-RKDXNWHRSA-N	304.375	1.896	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2cnn(-c3ccccn3)c2)n1	770036239	MBOHMGDWBZDVKR-UHFFFAOYSA-N	324.348	1.823	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C/c1cn(Cc2cccnc2)nn1	1116738334	WOAYZOLPMDWBAA-AWNIVKPZSA-N	303.347	1.021	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2ccc(C(=O)O)cc2)CN1C1CC1	872410992	TWOFIPKJLBSPLG-SNVBAGLBSA-N	301.346	1.727	50	20	DDGD	
Cc1ccncc1[C@@H](C)NC(=O)NNC(=O)Cc1cccnc1	771440508	OCQUXGFOHXUPHA-GFCCVEGCSA-N	313.361	1.419	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1ccc2cc[nH]c2n1	779383656	DDOFGMUWYKKNNX-UHFFFAOYSA-N	312.304	1.706	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)N2CCCC2)cc1)c1cn[nH]c1	872392460	LWXSBPQNHHCAHF-UHFFFAOYSA-N	311.345	1.410	50	20	DDGD	
CCCCn1ncc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC)c1C	772206225	GLTDLBWGKGEPIK-NSHDSACASA-N	324.381	1.094	50	20	DDGD	
CCN(CC)CC(=O)NNC(=O)c1nc2ccccc2s1	874913520	NMNYSYSZIPXANS-UHFFFAOYSA-N	306.391	1.399	50	20	DDGD	
CC(C)CCOc1ccc(C(=O)NNC(=O)[C@H]2C[C@@H](O)C2)cc1	873787533	JIIVAHHKWPSZPD-OKILXGFUSA-N	320.389	1.643	50	20	DDGD	
Cn1cc(C#N)c(NC(=O)NNc2ccccc2[N+](=O)[O-])n1	775664455	YDGWAROLTWVYEP-UHFFFAOYSA-N	301.266	1.349	50	20	DDGD	
COc1ccccc1[C@H](CO)NS(=O)(=O)CCCCl	881922189	DZIIYSUFYBFNJR-NSHDSACASA-N	307.799	1.277	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)C2CCOCC2)s1	883061640	BCNGEFZUXORNLE-UHFFFAOYSA-N	311.407	1.592	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CCOCC2)nn1[C@@H](C)C1CC1	883067721	SJHDTDWGQQNIPI-NSHDSACASA-N	320.393	1.350	50	20	DDGD	
N#C/C(=C\c1ccccc1)C(=O)OCC(=O)NC(=O)NC1CC1	785366405	OYUPYTIQAFLEGL-XYOKQWHBSA-N	313.313	1.125	50	20	DDGD	
CC1(C)OC[C@@H](CNC(=O)NNc2cc(F)c(F)c(F)c2)O1	783266612	YNAPIIMECNRDRK-MRVPVSSYSA-N	319.283	1.882	50	20	DDGD	
CC(C)[C@@H](F)C(=O)NNC(=O)c1nnc(O)c2ccccc12	784145759	QJRIESVQXGHKKS-SNVBAGLBSA-N	306.297	1.091	50	20	DDGD	
NC(=O)[C@H]1CCC[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2)C1	787133672	KTRPEJIKKHFMGC-UWVGGRQHSA-N	306.322	1.330	50	20	DDGD	
CCC(=O)NN[C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O	784061384	QBEQMUTZHCKNDU-JTQLQIEISA-N	303.284	1.133	50	20	DDGD	
COC1CCC(C(=O)NNC(=O)c2ccc(C)cc2O)CC1	781025215	FTPRELHUXQPYDP-UHFFFAOYSA-N	306.362	1.667	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H]1C[C@H]1c1cc(OC)ccc1OC	788088223	JFJMRQJYTFPHKP-JQWIXIFHSA-N	307.350	1.158	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@H]1COc2ccccc2C1	781830737	UYLNERSEQCCPDJ-SNVBAGLBSA-N	304.737	1.824	50	20	DDGD	
CC(C)Oc1ccccc1NC(=O)C(=O)NNc1cccnn1	784858346	IZEICUAGVZWNHO-UHFFFAOYSA-N	315.333	1.346	50	20	DDGD	
CCOc1cccc(NC(=O)C(=O)NNc2ccc(C)nn2)c1	783952209	KRFVTQXXOZNRQB-UHFFFAOYSA-N	315.333	1.266	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@H]1CCCN1C1CCCC1	899996916	YGCXSIVOTLKALF-GFCCVEGCSA-N	312.483	1.687	50	20	DDGD	
Cc1ncc2n1C[C@@H](C(=O)NNC(=S)NC(C)(C)C)CC2	899996965	AGRFYWWIBWBUMX-JTQLQIEISA-N	309.439	1.048	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	792764122	SHQRMCSAAJYIPB-CABZTGNLSA-N	309.322	1.417	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(C)c(Br)n1	794353360	AFTXYHVZXRJZKB-UHFFFAOYSA-N	303.116	1.545	50	20	DDGD	
CC[C@H](C)CC(=O)OCC(=O)NNC(=O)c1cccc(C)c1	791499379	SAZKJXIICKXEFI-NSHDSACASA-N	306.362	1.735	50	20	DDGD	
COC(=O)CCN(C)S(=O)(=O)c1ccc(CCl)cc1	388839401	WWFNWWAATZLKJA-UHFFFAOYSA-N	305.783	1.609	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccc(Cl)nn2)cc1	798152014	QMVJNJDIWHAJBQ-UHFFFAOYSA-N	320.736	1.278	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(OC2CC2)cc1OC	790860859	HMMBLWWQGGJPOI-UHFFFAOYSA-N	307.350	1.543	50	20	DDGD	
Cn1nccc1[C@H]1CCCC(=NNC(=O)C(=O)N2CCCC2)C1	790296777	ZNEYZEACELZABA-LBPRGKRZSA-N	317.393	1.172	50	20	DDGD	
C[S@@](=O)c1ccc(CC(=O)NNc2ccc(Cl)nn2)cc1	798110223	FXBSHZFBJSZBTN-OAQYLSRUSA-N	324.793	1.553	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2ccccc2C(=O)O)CC1	1317712525	MEJGUPNDSSFBGF-UHFFFAOYSA-N	317.389	1.957	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C(C)(C)c2ccccc2)ccn1	1318621592	WVMJENHEELGTEF-UHFFFAOYSA-N	313.357	1.829	50	20	DDGD	
CCOCCC1(C(=O)NNc2nncc(N)c2Cl)CCC1	1324155746	LEFNBOOEUQHRFX-UHFFFAOYSA-N	313.789	1.752	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cccc([C@H]2CCOC2)c1	1320281823	LYJZDRTYULYPRF-ZDUSSCGKSA-N	307.419	1.708	50	20	DDGD	
Nc1cnnc(NNC(=O)C2Cc3ccccc3C2)c1Cl	1320905626	RIGIOLAKBAVDLX-UHFFFAOYSA-N	303.753	1.570	50	20	DDGD	
CSc1ccc(O)c(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	1328342769	OWEMEZAOCHNMES-WPRPVWTQSA-N	310.375	1.300	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCNc2ccccc2)n1	1252429567	DXYSPJMXJHDAPM-UHFFFAOYSA-N	301.350	1.739	50	20	DDGD	
COC(=O)C(=O)NN=Cc1c(Cl)cccc1OC(F)F	1339879368	SYVWWYRTKGJLFJ-UHFFFAOYSA-N	306.652	1.565	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1CCCN1CC(C)C	1335771589	CEFXTIUIOINLOE-AWEZNQCLSA-N	319.405	1.577	50	20	DDGD	
CCS(=O)(=O)NCCCNC(=O)c1cccc(CCl)c1	1337103733	CJQQNGAOURWCRY-UHFFFAOYSA-N	318.826	1.485	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NNC(=O)c1ccccc1Cl	1331965484	UMKXFKMWPBQXOT-GFCCVEGCSA-N	309.797	1.974	50	20	DDGD	
COC(=O)COc1ccc(C=NNC(=O)C2CCOCC2)cc1	1330901793	ABVYLLXWSJHBIC-UHFFFAOYSA-N	320.345	1.115	50	20	DDGD	
O=C(NCC1CCCCCCC1)NNC(=O)C1CCNCC1	1348541648	AUCBJYUXWQAQJP-UHFFFAOYSA-N	310.442	1.677	50	20	DDGD	
CC(C)(O)CCC(=O)NNC(=O)c1cncn1-c1ccccc1	1343981131	GUMXNKKAYHXZKC-UHFFFAOYSA-N	316.361	1.184	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)C1CCNCC1)C1CCCCC1	1261376094	HBNONFXWGIJBNI-UHFFFAOYSA-N	324.469	1.923	50	20	DDGD	
C[C@@]1(COC(=O)c2ccc(C(N)=O)nc2)C[C@@H]1Br	1344036162	LQNAWTDYTHJQQQ-CABZTGNLSA-N	313.151	1.511	50	20	DDGD	
CC[C@H](NC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br)C1CC1	1351191895	RTWUSXYSIUXDCW-OUJBWJOFSA-N	317.227	1.581	50	20	DDGD	
Cc1cccc(C)c1CN(C)C(=O)NNC(=O)c1cn[nH]c1	1353929671	WYIDKMSXCDFWSI-UHFFFAOYSA-N	301.350	1.513	50	20	DDGD	
CCOc1ccc(CCNC(=O)NNc2ncccn2)cc1	1519774432	BNWYXUXESHUXRO-UHFFFAOYSA-N	301.350	1.744	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNC(=O)c2ccccc2)c(F)c1	1602323326	ARCGWMSEUGVECC-UHFFFAOYSA-N	302.261	1.599	50	20	DDGD	
CC(=O)c1cccc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)c1	1602979176	PXFHKDAVSIUTSO-UHFFFAOYSA-N	323.316	1.221	50	20	DDGD	
Cc1c(NNC(=O)c2cn(C)c(C)cc2=O)cccc1C(=O)O	1600054002	DFFDPQGNKYMWFE-UHFFFAOYSA-N	315.329	1.457	50	20	DDGD	
O=C(Cn1ccc(C(F)F)n1)NNc1ccccc1C(=O)O	1601386888	NMUVABDGMJZIJV-UHFFFAOYSA-N	310.260	1.662	50	20	DDGD	
C[C@@H](CN1CCCCC1)NC(=O)NNc1cccc(C(=O)O)c1	1604164525	CSSZURYAKDYSIY-LBPRGKRZSA-N	320.393	1.885	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CC(F)(F)C[C@H]1C(=O)O	1608170006	QDQJNXRBTOZEGE-JSJZCHLLSA-N	322.267	1.620	50	20	DDGD	
CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1nccnc1C	1602906133	FRHHKWFAWOMSSK-UHFFFAOYSA-N	322.332	1.119	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)c1ccns1	1606856226	WSEGSZZNYSVTSF-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2ccc(Cl)nn2)c(F)c1	1610822310	DJRXJMDDCCJTKN-UHFFFAOYSA-N	310.672	1.724	50	20	DDGD	
CCOc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)cc1	1549315842	OLNXSFMAGJELHD-HOCLYGCPSA-N	317.389	1.399	50	20	DDGD	
C[C@H](C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)Cc1ccccc1	1549319739	JGVKPBSEFKHXLG-XIRDDKMYSA-N	315.417	1.830	50	20	DDGD	
N[C@@H](CCC(=O)NNc1cnc2ccccc2n1)C(F)(F)F	1574284399	NGNSUUOGBUUHSN-JTQLQIEISA-N	313.283	1.743	50	20	DDGD	
C[C@@H](NNC(=O)C1CC2(C1)C[C@@H](N)CCS2)C(F)(F)F	1576252243	OYEGWFYTEJMPAW-AZPRYWSXSA-N	311.373	1.561	50	20	DDGD	
CCc1ccc([C@@H](C)NC(=O)NNC(=O)C2CCNCC2)cc1	1578263455	HSIQGUXRLHQKKG-GFCCVEGCSA-N	318.421	1.640	50	20	DDGD	
C=CC(C)(C)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1588478066	SDDLYYJTQZZCDV-UHFFFAOYSA-N	305.342	1.633	50	20	DDGD	
CC[C@@H](Br)C(=O)N1CCCC12CN(C(C)=O)C2	1846069555	ITEFEAWVLFPZAW-SNVBAGLBSA-N	303.200	1.383	50	20	DDGD	
CC(C)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Br)C1	1845216737	HVQOUOATZXEDCP-SECBINFHSA-N	321.190	1.536	50	20	DDGD	
CC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843363062	OHOAJPHKMVESTR-NSHDSACASA-N	304.749	1.093	50	20	DDGD	
COC[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1841661927	FRITXPCJMIWPJA-ZJUUUORDSA-N	306.765	1.007	50	20	DDGD	
O=C(NNC(=O)[C@H](C(=O)O)C1CC1)c1c[nH]c2ccccc12	1594779152	JWJQCWWSXHXULK-GFCCVEGCSA-N	301.302	1.040	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@@H]1CCOC2(CCC2)C1	1595261522	CXJFELVSKVTQOZ-SNVBAGLBSA-N	305.334	1.572	50	20	DDGD	
COCCOc1cc(C(=O)O)ccc1NC(=O)NN(C)C1CC1	1599255256	JWOVMIFMTRORRR-UHFFFAOYSA-N	323.349	1.541	50	20	DDGD	
CC1=NO[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)c(Cl)c2)C1	1590161094	DEUUHAFBRCTDJO-SNVBAGLBSA-N	321.728	1.128	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CC(C)(C)CC(=O)O)cc1	1598872370	WBRVDOTVWOXLNF-UHFFFAOYSA-N	322.361	1.736	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](C(=O)O)C(C)C)c([N+](=O)[O-])c1	1594106010	UCDRFAWYZBGDDU-LLVKDONJSA-N	311.294	1.403	50	20	DDGD	
CO[C@H](C(=O)O)C(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	1593905756	RTTOQPNEZKPLSI-MNOVXSKESA-N	317.458	1.709	50	20	DDGD	
CCc1ccc(CC(=O)NNc2ccc(-c3nn[nH]n3)cc2)nc1	1590886982	ORHCUWGNAXFHBY-UHFFFAOYSA-N	323.360	1.510	50	20	DDGD	
O=C(O)/C=C/c1ccc(C=NNC(=O)NCC(F)(F)F)o1	1776036345	AHUXCSJPFSZWKP-OYWSHKBOSA-N	305.212	1.573	50	20	DDGD	
O=C(O)c1cc(Cl)sc1C=NNC(=O)[C@@H]1CCOC1	1776058048	BLAKXAYSGJUHKJ-ZCFIWIBFSA-N	302.739	1.586	50	20	DDGD	
O=C(CN1CCc2ccccc2C1)NNC(=O)c1ccccc1	16442966	FHUZTMMGXSAYMW-UHFFFAOYSA-N	309.369	1.506	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2c(C)noc2C)cc1	17111259	QHYKNSZVHJOBBB-UHFFFAOYSA-N	303.318	1.440	50	20	DDGD	
C[C@@H]1CC(NC(=O)NNC(=O)CCc2ccccc2)C[C@@H](C)O1	161570485	ICWVIWYUSWZALF-CHWSQXEVSA-N	319.405	1.906	50	20	DDGD	
COC(=O)NNC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1	158843725	JFRAMWXQCZBJGX-UWVGGRQHSA-N	313.151	1.940	50	20	DDGD	
C[C@H](Sc1nnnn1C1CC1)C(=O)NNc1ccccc1	151226478	XOKFOQSGGJVSFV-VIFPVBQESA-N	304.379	1.632	50	20	DDGD	
COc1ccc(CC(=O)NNc2ncccc2[N+](=O)[O-])cc1	152742571	WMCQHCSKHQMKIE-UHFFFAOYSA-N	302.290	1.684	50	20	DDGD	
O=C(Cn1nc2n(c1=O)CCCCC2)NNc1cccc(F)c1	155020157	FPGRJNPUFUUEDY-UHFFFAOYSA-N	319.340	1.054	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@@H](C)CN2CCCC2)nc1	157501718	LLVKWMWHURBBHV-GFCCVEGCSA-N	307.398	1.448	50	20	DDGD	
C[C@@H](OC1CCCCCC1)C(=O)NNC(=O)c1ccncc1	155095104	GTDVMLCEWFZWRJ-GFCCVEGCSA-N	305.378	1.971	50	20	DDGD	
C[C@H]1CCC[C@H](CC(=O)NNC(=O)CNC(=O)c2ccco2)C1	156824312	GYQJFGQIIFGFIG-RYUDHWBXSA-N	321.377	1.373	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)n1	154650965	QNWNRFOYQXEHHA-UHFFFAOYSA-N	312.333	1.030	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H]2CCCN(C(C)=O)C2)c1	156940039	JQVGRPHTUQXZIF-LLVKDONJSA-N	309.341	1.536	50	20	DDGD	
CC(=O)Nc1cccc2c1CCN(S(=O)(=O)CCl)C2	830139116	SGBMLAAUDSOGJG-UHFFFAOYSA-N	302.783	1.529	50	20	DDGD	
CCNC(=O)NN=C1CCN(C(=O)OCc2ccccc2)C1	842525326	PZUBDWNFYGQQRG-UHFFFAOYSA-N	304.350	1.704	50	20	DDGD	
CCN1CCC[C@H](CN(C)C(=O)CCl)[C@@H]1c1cnn(C)c1	1887532546	DYLZLMRKRQNDAH-IUODEOHRSA-N	312.845	1.890	50	20	DDGD	
C=CCOc1ccccc1C(=O)NNC(=O)c1c[nH]nc1C	110761573	LZYWEZNISVKRDE-UHFFFAOYSA-N	300.318	1.358	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)C[C@H]1CCc2ccccc21	115215336	GYFJHVFNUPCHJV-OAHLLOKOSA-N	309.369	1.892	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2cccc(F)c2)n1	175241797	XREKRHMUUCMCGO-UHFFFAOYSA-N	305.313	1.759	50	20	DDGD	
Cc1cccc(OCCCC(=O)NNC(=O)c2cnn(C)c2)c1	117682834	NAMZFATVKUOPJY-UHFFFAOYSA-N	316.361	1.349	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@H]1CCOC1	69316089	MPDWQBLTRMSRQQ-ZZTKBFGJSA-N	306.406	1.777	50	20	DDGD	
CC(=O)NCc1ccc(C(=O)NNc2ccc(Cl)nn2)cc1	118503777	CXPBGTZRIIZMHZ-UHFFFAOYSA-N	319.752	1.523	50	20	DDGD	
CCc1nc([C@@H](C)NC(=O)NNC(=O)c2ccc[nH]2)cs1	111894644	LDMNVHNJTZRYQA-MRVPVSSYSA-N	307.379	1.739	50	20	DDGD	
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NNc1ccc(Cl)nn1	68635007	MKXNKRSXOYEMED-HTQZYQBOSA-N	314.777	1.059	50	20	DDGD	
COCCCNC(=O)NNC(=O)C[C@H](C)c1ccccc1C	116181119	NYOKQJDZLUYKKH-ZDUSSCGKSA-N	307.394	1.856	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)N[C@@H]2CC=CCC2)c1	181675504	DUXKIGJTXZVKFA-LLVKDONJSA-N	309.391	1.825	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CSc1nc2ccccc2o1	63269709	VEVMDUHWXIQCAT-UHFFFAOYSA-N	308.363	1.659	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1	111901106	KMPNCTUTHXEFPP-ZIAGYGMSSA-N	305.378	1.690	50	20	DDGD	
CSc1ccc(Cl)c(C(=O)NNC(=O)c2cnn(C)c2)c1	172082135	SBRGEVCDUXAVKJ-UHFFFAOYSA-N	324.793	1.870	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cn1	117679305	DYUUKTZUASJLFM-WPRPVWTQSA-N	318.299	1.550	50	20	DDGD	
CCCCNC(=O)NNC(=O)C[C@H]1OCCc2ccccc21	115346015	OMADISVYOUSQMT-CQSZACIVSA-N	305.378	1.821	50	20	DDGD	
Cc1ccc(C)c(OCCCCC(=O)NNC(=O)CN(C)C)c1	75654052	TXGXRCNOOYFXBU-UHFFFAOYSA-N	321.421	1.562	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NNC(=O)c1c[nH]nc1C	121663499	MSPRQSIQZGLALH-UWVGGRQHSA-N	304.375	1.653	50	20	DDGD	
Cn1cc(CC(=O)NNC(=O)c2cccc(OC(F)F)c2)cn1	171207437	RFRUIGZUQZYIFU-UHFFFAOYSA-N	324.287	1.025	50	20	DDGD	
CCn1nc(C(=O)NNc2cccc3c2CCCC3)ccc1=O	120401345	QLCYFKRWKDIZTK-UHFFFAOYSA-N	312.373	1.899	50	20	DDGD	
Cc1cc(NNC(=O)Cc2ccc(-n3cccn3)cc2)nc(C)n1	129065925	AFLFNJSHHPFZBQ-UHFFFAOYSA-N	322.372	1.965	50	20	DDGD	
CC(C)S(=O)(=O)CC(=O)NNc1ccc(OC(F)F)cc1	121938875	BQMPOJZYOBJCSH-UHFFFAOYSA-N	322.333	1.554	50	20	DDGD	
O=C(NNc1cccnn1)N[C@H]1CCOc2c(F)cccc21	188336389	DLWMGVZVNGVXJZ-NSHDSACASA-N	303.297	1.766	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CC[C@@]2(C1)OCc1ccccc12	185696541	GVKUVVQQSFFNLI-KRWDZBQOSA-N	317.389	1.905	50	20	DDGD	
Cn1cc(CNC(=O)NNc2cccnn2)c(-c2ccccc2)n1	182761135	OXQZAKKSBZEBBX-UHFFFAOYSA-N	323.360	1.703	50	20	DDGD	
O=C(CCn1cnc2ccccc2c1=O)NNc1ccccc1	73023433	CUHPTKNGJRLMQX-UHFFFAOYSA-N	308.341	1.930	50	20	DDGD	
O=C(CCOCC(F)F)NNC(=O)COCc1ccccc1	187875386	IQKUNBKDVHFREP-UHFFFAOYSA-N	316.304	1.022	50	20	DDGD	
COC1(CNC(=O)NNC(=O)Nc2ccccc2C)CCC1	181510291	CZHVDJSVBNLAAI-UHFFFAOYSA-N	306.366	1.900	50	20	DDGD	
C[C@@H](NC(=O)CC(C)(C)C)C(=O)NNC(=O)c1ccccc1	187291674	GCJVWUYVTXDEGO-LLVKDONJSA-N	305.378	1.389	50	20	DDGD	
CCc1ccccc1S(=O)(=O)NNC(=O)NCc1ccco1	187342466	WTMGJAOTXXTMGZ-UHFFFAOYSA-N	323.374	1.535	50	20	DDGD	
COCCOc1cccc(C(=O)NNc2cc(C)nc(C)n2)c1	128932993	VMJBOFWKAKIMBH-UHFFFAOYSA-N	316.361	1.876	50	20	DDGD	
O=C(NNC(=O)[C@H]1Cc2ccccc2O1)c1cccc(Cl)n1	126198123	OYIPKYOQWMMLJK-GFCCVEGCSA-N	317.732	1.500	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)C1CCN(C(=O)N(C)C)CC1	184332936	FIAPRQVHBJRQDI-UHFFFAOYSA-N	322.384	1.971	50	20	DDGD	
CC(C)[C@H]1CCC[C@@H](NC(=O)NNC(=O)c2cnn(C)c2)CC1	187447090	MALKEDMTSQGZAA-GXTWGEPZSA-N	321.425	1.969	50	20	DDGD	
C=C[C@](C)(CC)C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1	134916752	DSTKYCOGMQBYJU-DVOMOZLQSA-N	311.426	1.235	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNc1nc(C)cc(C)n1	47817049	BKLAPWTXHLVBFK-GFCCVEGCSA-N	305.382	1.328	50	20	DDGD	
OCCCN(CCI)CC(F)(F)F	379367741	VYHOUMPPMLAMBZ-UHFFFAOYSA-N	311.085	1.668	50	20	DDGD	
CN1CCN(CCCNC(=O)c2cccc(CCl)c2)CC1	40798695	SZHRKVPATPYWOO-UHFFFAOYSA-N	309.841	1.793	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)C(=O)N2CCCC2)sc1C	132269931	NSYXKVFPDVENSS-UHFFFAOYSA-N	323.418	1.392	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)c2ccc(C)o2)cc1C	84461354	HUMXILJCBWJTRR-UHFFFAOYSA-N	324.358	1.528	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCn2cnc3ccccc32)o1	84373989	NJMJESWWXBIZEH-UHFFFAOYSA-N	312.329	1.789	50	20	DDGD	
CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NNc1cccc(F)c1	194387403	HKXNTYQDUXUQFM-JTQLQIEISA-N	321.274	1.972	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNc1ccc(C(F)(F)F)cn1	132013081	BUHHCKMJGBVTJO-ZETCQYMHSA-N	305.256	1.743	50	20	DDGD	
NNC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1	194392911	HUECJBBRZPUWON-PPGNKHEKSA-N	307.781	1.724	50	20	DDGD	
CC(=O)NC1(C(=O)NNC(=O)c2ccc(C)o2)CCCCC1	84380381	NDKUOLZPQHASFZ-UHFFFAOYSA-N	307.350	1.188	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)[C@H]1CCCCC(=O)N1	194013708	UKSZGBHKBPSPFO-CQSZACIVSA-N	317.389	1.216	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cn(C)nc1-c1cccs1	92241186	IKWBXFZZWZEWCP-UHFFFAOYSA-N	321.406	1.893	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=O)Cc1ccccc1F	246303121	WVDIFFJSXRJIKY-FRRDWIJNSA-N	321.396	1.777	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H](CNC(=O)OC(C)(C)C)C1CC1	265903679	OVEZNMMBULWATB-SRXBQZRASA-N	323.393	1.850	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNc1nc(C)cc(OC)n1	266898898	GXPFMANMPZFPGX-NSHDSACASA-N	321.381	1.028	50	20	DDGD	
CN1CCN(C)[C@@H](CNC(=O)NNc2ccccc2Cl)C1	264821680	XYYYOPDVTLFLNP-NSHDSACASA-N	311.817	1.212	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)c1ccc(Cl)cc1O	269840336	NXPMLVKGGWPJDI-QMMMGPOBSA-N	300.742	1.622	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)CNc1cccc(OC)c1	266605309	QDSTXIYVLBPNLB-UHFFFAOYSA-N	321.377	1.237	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccc(NC(=O)C2CC2)cc1	273254352	WSBLARUQAZIXBV-UHFFFAOYSA-N	302.334	1.598	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2)CCO1	271553939	RDGRGHALMJMJMN-KBPBESRZSA-N	305.378	1.834	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C1(c2cccc(F)c2)CCOCC1	272999249	OHJCRHYWVKTPHG-UHFFFAOYSA-N	323.368	1.566	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(Cl)c(C(N)=O)c1	273302606	FVFHTPYFEQEFSP-ZETCQYMHSA-N	312.757	1.638	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NCCC(C)(C)O)cc1	274994159	ZIYWKCVSSKVBLU-UHFFFAOYSA-N	323.393	1.119	50	20	DDGD	
CCN1CCO[C@@H](C(=O)Oc2ccc([N+](=O)[O-])cc2OC)C1	363049321	IFZHFWCPWIRIRZ-CYBMUJFWSA-N	310.306	1.230	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCCOc1ccc(F)cc1F	272662617	HYIVVDKDPAXILO-UHFFFAOYSA-N	315.320	1.816	50	20	DDGD	
CCC(O)(CC)CCNC(=O)NNC(=O)c1ccccc1OC	276204247	CBGDOQUSOGVWKA-UHFFFAOYSA-N	323.393	1.580	50	20	DDGD	
C=C(C)[C@H](CC(=O)NNC(=O)c1cccc(OC)c1O)OCC	270423939	LDZIGBVCVPNPBL-ZDUSSCGKSA-N	322.361	1.533	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H]1CCO[C@@H]1c1ccnn1C(C)C	276917878	KSVBIZOVBKQBQD-WFASDCNBSA-N	322.409	1.735	50	20	DDGD	
CC(C)N1C[C@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)CC1=O	273244863	YBHNHOYSPGGTBH-LPYTZGJOSA-N	315.348	1.858	50	20	DDGD	
COCCCn1ccc(NC(=O)NNc2ccc(OC)cn2)n1	275776696	QULYSRLTEBZOHT-UHFFFAOYSA-N	320.353	1.472	50	20	DDGD	
CO[C@@H]1CCC[C@H](CC(=O)NNC(=O)Cc2ccncc2)C1	279995334	RSMQLMAWAUYYQB-UONOGXRCSA-N	305.378	1.367	50	20	DDGD	
CCCCc1nnc(NC(=O)NNc2nccnc2OC)s1	274109363	QNSXCCIFLATLCM-UHFFFAOYSA-N	323.382	1.828	50	20	DDGD	
C[C@](O)(CC(=O)NNC(=O)c1ccc(Cl)cc1O)C1CC1	270467497	RKLGSKJPRTZIOA-AWEZNQCLSA-N	312.753	1.358	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNC(=O)CNc1ccccc1OC	272162065	DOORUDHTXLNTNX-GFCCVEGCSA-N	323.393	1.317	50	20	DDGD	
CCc1onc(-c2ccccc2)c1C(=O)NNC(=O)N(C)C	279754075	ZAZREKORDVVSIX-UHFFFAOYSA-N	302.334	1.820	50	20	DDGD	
CN1CC[C@H]2CCN(C(=O)/C(C#N)=C\c3ccc(O)cc3)[C@H]2C1	280279523	PFZVNYLWULTJOF-SILSCELHSA-N	311.385	1.852	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ncc(Cl)cc2Cl)CC1	280421397	XHCMHXUXFLSDKE-UHFFFAOYSA-N	324.189	1.409	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](CO)CC2CCC2)s1	280224587	JXEWSQAPJVMJSK-NSHDSACASA-N	311.407	1.552	50	20	DDGD	
COc1cccc(NNC(=O)[C@H]2CCc3cnn(C)c3C2)n1	282182729	DKBXSEBOGGBHPL-JTQLQIEISA-N	301.350	1.072	50	20	DDGD	
CSSCCNC(=O)N[C@@H]1CCc2nc(C)nn2C1	284287026	SLAIKQFQEHTPRG-SECBINFHSA-N	301.441	1.212	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(F)c(F)cc1Cl	281706092	FRAQSTVMZMDAGY-NSHDSACASA-N	318.707	1.948	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)C(=O)Nc1nocc1C	281909682	JBYHGTBKCSLJHQ-UHFFFAOYSA-N	302.334	1.936	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)Cc1cnn(C)c1C	294157514	VVDIRQMNKOCMKM-UHFFFAOYSA-N	303.322	1.631	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H]2C[C@H](OCC)[C@@H]2OC)cc1	298160602	BPEZWCCKQIJKLA-QLFBSQMISA-N	323.393	1.904	50	20	DDGD	
C[C@@H](OCc1ccccc1)C(=O)NNC(=O)c1cccn1C	298442620	UNMXZZFBTRCHOF-GFCCVEGCSA-N	301.346	1.391	50	20	DDGD	
O=C(NCCN1CCSCC1)NNc1cccc(Cl)n1	293049109	PDEFTTUQWVXDKI-UHFFFAOYSA-N	315.830	1.410	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](O)c1ccc(Cl)cc1F	291623338	HDVTUNGZFPADRY-SNVBAGLBSA-N	303.721	1.205	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1ccccc1OC1CC1	291449048	GWMODEPOOFOGSU-UHFFFAOYSA-N	315.329	1.965	50	20	DDGD	
Cc1cc(C)nc(C(=O)NNC(=O)Cn2cnc3ccccc32)c1	801103291	CXPZTEBUYJKZLY-UHFFFAOYSA-N	323.356	1.509	50	20	DDGD	
O=C(NNC(=O)c1cnn(-c2cccnc2)c1)Nc1ccccc1	801988115	LMOOPEUCHIQMPN-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
CCCN1CCC[C@H]1CNC(=O)NNc1cncc(Cl)n1	807548908	HLMGKNJPCKPPOT-JTQLQIEISA-N	312.805	1.631	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@H](C)CCc2cccn2C)O1	298051370	UXKVPQDMUQVCPZ-DYEKYZERSA-N	322.409	1.244	50	20	DDGD	
Cc1ccc2c(c1)CC[C@@H]2NC(=O)NNC(=O)[C@@H]1CCCCO1	296369559	OIVFCTXITRKNGD-GJZGRUSLSA-N	317.389	1.882	50	20	DDGD	
CC(=O)NCCCNC(=O)NNc1cc(C(F)(F)F)ccn1	297418584	JKMMLOGBICLJDA-UHFFFAOYSA-N	319.287	1.253	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)cc1	294347900	NCWGZQYZAQQEJZ-TUKIKUTGSA-N	306.362	1.580	50	20	DDGD	
CCc1c(C(=O)NNc2cccc(S(C)(=O)=O)c2)ccn1C	290571361	XVSQLICBDDTZJG-UHFFFAOYSA-N	321.402	1.748	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccccc1S[C@H](C)C(N)=O	801141506	NETVFGWMORAFTF-SECBINFHSA-N	324.406	1.005	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](CO)C1CCCC1	290536219	AFPVLXJLMQAUIQ-AWEZNQCLSA-N	305.378	1.490	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Cc2noc3ccccc23)O1	294432956	ZNYNXFAAIUGVCN-ZANVPECISA-N	303.318	1.085	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2oc(C(C)C)nc2C)n1	292059357	UGZMZLRYCKNFGL-UHFFFAOYSA-N	319.365	1.381	50	20	DDGD	
CS(=O)(=O)C[C@H](C(=O)NNc1ccccc1)c1ccccc1	816840641	WLEQYEOUDSIOSU-HNNXBMFYSA-N	318.398	1.958	50	20	DDGD	
Cc1nnsc1C=NNC(=O)COc1ccc(C#N)cc1	814213197	BSZIVYGJXKTZEP-UHFFFAOYSA-N	301.331	1.247	50	20	DDGD	
CCCOc1ccc(C(=O)NNc2cnnn2C)cc1OCC	816771652	VEFDIQBQABPYAZ-UHFFFAOYSA-N	319.365	1.760	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1cc(Cl)ccc1OC(F)F	816632623	QZTXITUOAZUIPD-UHFFFAOYSA-N	303.656	1.816	50	20	DDGD	
CN(NC(=O)C(=O)Nc1sccc1C#N)c1ccccc1	815590004	JJIBRRAENMYUGX-UHFFFAOYSA-N	300.343	1.726	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc[nH]1	814965581	OWCHXKSIHRYUIX-UHFFFAOYSA-N	321.362	1.208	50	20	DDGD	
Cc1cccc(-n2nnc(C(=O)NNC(=O)CC3CC3)c2C)c1	819104403	KYQGCBSUBCFGIV-UHFFFAOYSA-N	313.361	1.445	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc(OCC(F)(F)F)nc1	819144181	CZJAFLOGUUJNPI-UHFFFAOYSA-N	317.267	1.584	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)Cc2cc[nH]n2)C[C@H]1C	814954744	LJQNREJTLKZLRO-MFKMUULPSA-N	306.366	1.424	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)C(C)(F)F	815488827	JLJNIVJAIFOPKA-RKDXNWHRSA-N	308.325	1.403	50	20	DDGD	
CCc1nnc(CNC(=O)NNc2ncncc2Cl)s1	811967786	VVYSNNZJDVNSQE-UHFFFAOYSA-N	313.774	1.370	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(C(F)(F)F)[nH]2)n1	826585741	PUFADIUJKDJXDW-UHFFFAOYSA-N	315.255	1.897	50	20	DDGD	
COC[C@H](OC)C(=O)NNC(=O)c1ccc2ccccc2c1	822598671	PILMZEHHIYDZBF-AWEZNQCLSA-N	302.330	1.262	50	20	DDGD	
O=C(C[C@@H]1CCCCO1)NNc1ccc(-c2nn[nH]n2)cc1	826404283	UYIIJVLKNWACHL-LBPRGKRZSA-N	302.338	1.269	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNc1nc2ccccn2n1)C(C)C	822392335	ZESKOGXLUGMYRM-LLVKDONJSA-N	305.338	1.008	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CCN2CCCC2=O)c1	727864277	COEKMBFJUYTKIR-UHFFFAOYSA-N	320.418	1.325	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNc1oc(C(C)C)nc1C#N	729528516	DBLONVWURYVSHT-UHFFFAOYSA-N	321.381	1.809	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1ccccc1	825595422	QSXVABKSIAOGPY-GUTXKFCHSA-N	319.405	1.936	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NN=C1COc2ccccc21	495587216	GMZIAXWBWOEKHC-UHFFFAOYSA-N	319.361	1.814	50	20	DDGD	
CCCCC[C@@H](O)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	822121346	FUTBGTMHHNJASC-GFCCVEGCSA-N	309.322	1.297	50	20	DDGD	
CCC1(CC)CN(CC(=O)NNC(=O)C(C)C)CCS1	828897210	UGNKDTOTGHZJJB-UHFFFAOYSA-N	301.456	1.397	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccccc1Oc1cnn(C)c1	823923492	RTQIJEQELJOYQL-NSHDSACASA-N	304.350	1.170	50	20	DDGD	
CN(C)CCCNC(=O)NNC(=O)CCCc1ccccc1	727939488	OQUZMIDWMBGYJC-UHFFFAOYSA-N	306.410	1.291	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cccc2c1OC(F)(F)O2	491137817	YBYVIZNBAOXREU-JXMROGBWSA-N	310.256	1.678	50	20	DDGD	
COC(=O)NNC(=O)c1cnn(-c2ccccc2)c1C(C)C	495366777	IGEWCWLAXBONIW-UHFFFAOYSA-N	302.334	1.997	50	20	DDGD	
CC[C@H](C)[C@@H](NC(=O)NNC(=O)c1cc[nH]n1)C(F)(F)F	822983009	VKZGMTIBTJMBJZ-POYBYMJQSA-N	307.276	1.331	50	20	DDGD	
C[C@@H]1CC[C@@H](CCC(=O)NNc2ccc(-c3nn[nH]n3)cc2)O1	824906210	BAOPHAACCDBLQL-MFKMUULPSA-N	316.365	1.658	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2cccc(C(=O)O)c2)o1	821064119	VFJXYILGQIOFCC-UHFFFAOYSA-N	317.301	1.430	50	20	DDGD	
CCCN(CC)C(=O)c1ccc(C(=O)NNC(=O)OC)cc1	495366763	HZYZTOUCAFECDG-UHFFFAOYSA-N	307.350	1.560	50	20	DDGD	
CC(C)O[C@H]1C[C@H](NCc2ccc(B(O)O)cc2F)C1(C)C	585036806	PRNSOMJWEDJCFC-GJZGRUSLSA-N	309.190	1.187	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc(OC2CC2)cc1	901965669	XZYIBLOWWWRBHG-UHFFFAOYSA-N	322.386	1.341	50	20	DDGD	
CO[C@H](c1ccc(F)cc1)[C@@H](C)NCc1ccccc1B(O)O	585035917	ZUYSECHTJFCEQP-PXAZEXFGSA-N	317.169	1.371	50	20	DDGD	
C[C@@H](C[C@@H]1CCCO1)c1nc(-c2ccc(B(O)O)cc2)no1	585051459	HLWNUCGGZYDXEL-GWCFXTLKSA-N	302.139	1.089	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cn1	491054103	ZSPYYBZWAPTRJX-OIQKGARISA-N	312.373	1.401	50	20	DDGD	
CC(C)n1ncc2c1[C@@H](NCc1ccccc1B(O)O)CCC2	585036669	NVHSOGXALBQIPV-INIZCTEOSA-N	313.210	1.311	50	20	DDGD	
COc1ccc(NNC(=O)c2cnc(NC3CC3)s2)nc1	907590221	MYWXWERQUDFKCI-UHFFFAOYSA-N	305.363	1.878	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@H](CCO)C2CCCCC2)cn1	491176946	SRIYPLHYCGTGDA-QOBZYLRHSA-N	316.405	1.775	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]1C(=O)O)c1c(Cl)cccc1Cl	739453458	IQWJQCALPJHIRF-NTSWFWBYSA-N	317.128	1.475	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C1CCCC1)C(=O)N1CCCC[C@H]1C	737048596	YDOWSAQFMHPPSU-VXGBXAGGSA-N	324.425	1.297	50	20	DDGD	
OB(O)c1ccc(CNC[C@H]2CCO[C@@H]2c2ccccc2)cc1	585036520	HNPGZNGHOPPFLI-SJLPKXTDSA-N	311.190	1.234	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CCc2ccn(C)n2)ccc1F	837039005	LLBWLGICARUOLJ-UHFFFAOYSA-N	320.324	1.422	50	20	DDGD	
CCOCC(=O)NN=C(C)c1cccc(OCCN(C)C)c1	731152435	HFEVHSKXOYCIPL-UHFFFAOYSA-N	307.394	1.504	50	20	DDGD	
CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)NNc1ccncn1	836310951	WFRNIPLBABSEHN-AAEUAGOBSA-N	307.398	1.944	50	20	DDGD	
C[C@]1(C(=O)N2CCN([C@H]3CCOC3)CC2)C[C@@H]1Br	906976524	PQTUDFYEEINARO-GVXVVHGQSA-N	317.227	1.093	50	20	DDGD	
C[C@]1(C(=O)NNc2cc(Cl)nc(N)n2)C[C@@H]1Br	907305838	FUEOTHAYWMYXDC-IGJIYHIXSA-N	320.578	1.329	50	20	DDGD	
N#Cc1ccc(N2CCC[C@@H]2C(=O)NNc2cnccn2)cc1	734245010	FPUPVLIKMBLLRN-CQSZACIVSA-N	308.345	1.460	50	20	DDGD	
CON1CCC(N(C)C(=O)[C@@]2(C)C[C@H]2Br)CC1	909568281	AHNWJFPHJHGZON-PWSUYJOCSA-N	305.216	1.644	50	20	DDGD	
O=C(NN=C1C(=O)Nc2cc(O)c(F)cc21)NC1CCCC1	834947543	CCXVULJJBBZDMA-UHFFFAOYSA-N	306.297	1.429	50	20	DDGD	
CS[C@H]1CCC[C@@H]1c1nc(-c2ccc(B(O)O)cc2)no1	585053337	DSBWUCOKEKPLQY-RYUDHWBXSA-N	304.180	1.416	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)C1)c1cccc2ncccc12	730147599	XULAUOAEYKQTDN-UHFFFAOYSA-N	303.343	1.139	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=C1C[C@@H](C)n2ccnc21	834922548	IAVRBSSEUDZEQL-SNVBAGLBSA-N	308.345	1.938	50	20	DDGD	
CCCN(CC)c1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cc1	585070509	YJCPRAKZXPVLHT-CQSZACIVSA-N	304.199	1.612	50	20	DDGD	
CC(C)(CNC(=O)c1ccc(B(O)O)cc1)c1cccs1	584947108	GQMGJKPYJIKCJA-UHFFFAOYSA-N	303.192	1.136	50	20	DDGD	
O=C(O)NNS(=O)(=O)/C=C\c1cccc(Br)c1	738661451	LLXKIRFNPMRTPL-PLNGDYQASA-N	321.152	1.522	50	20	DDGD	
CC(=O)Nc1c(C)cc(NCc2ccc(B(O)O)o2)cc1C	585012021	JZMLPCSWNBCSMH-UHFFFAOYSA-N	302.139	1.147	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccnc(Cl)c1Cl	900384412	HXZQFDREDSPUNN-UHFFFAOYSA-N	321.164	1.369	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)Cc1cc[nH]n1)c1ccccc1Cl	588445528	UHLFAIDDOFIXKX-NTMALXAHSA-N	318.764	1.857	50	20	DDGD	
CN(C)C(=O)NN=Cc1ccc(C(F)(F)F)nc1N(C)C	901179805	NJYWJSUYFBAQLZ-UHFFFAOYSA-N	303.288	1.772	50	20	DDGD	
O=C(NNC(=O)c1cnn2ccccc12)c1ccc(Cl)nc1	732272478	HMJZCOPLWGNRPQ-UHFFFAOYSA-N	315.720	1.458	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1	731282844	XYGLKADKGCDKEZ-HIFRSBDPSA-N	321.377	1.274	50	20	DDGD	
C[C@H]1CC[C@@H](CNC(=O)NNC(=O)Cc2ccc(F)cc2)O1	838742173	OUTLQQLGOAXQPN-GWCFXTLKSA-N	309.341	1.266	50	20	DDGD	
O=C(CC1CCCCC1)N1CCN(S(=O)(=O)CCl)CC1	830330924	IUIMHIDWUMNVGK-UHFFFAOYSA-N	322.858	1.627	50	20	DDGD	
C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cccc(B(O)O)c1	584947094	GIZRXRIAVPCIOR-CZUORRHYSA-N	309.174	1.385	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCOCCN(C)C)cc1	838567574	RPVYHFSRJWZBKR-UHFFFAOYSA-N	310.398	1.290	50	20	DDGD	
CCOCCCN1CCC(=NNC(=O)c2cccn2C)[C@H](C)C1	735227812	ZYXLIKKMBPIPMP-CQSZACIVSA-N	320.437	1.879	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CCn1cc(Br)cn1	918584404	MQTQDSVMEWUNFQ-UHFFFAOYSA-N	317.187	1.229	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)[C@H]2CCCCO2)[C@H](n2cncn2)C1	834987460	XPKXACCTUQTPJX-MRVWCRGKSA-N	305.382	1.681	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1	839705249	CVIHQUZJMCOFLX-JTQLQIEISA-N	303.322	1.965	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cnc(-c2ccccc2)nc1	731217820	OFQGJCYNWCIRSJ-UHFFFAOYSA-N	315.333	1.333	50	20	DDGD	
CO[C@@]1(C)C[C@H](NC(=O)NNC(=O)N=c2cc[nH]cc2)C1(C)C	836335978	SRSYPBAKSSBSMK-NHYWBVRUSA-N	321.381	1.043	50	20	DDGD	
CCC(C)(C)N(C)CC(=O)NNC(=O)Cc1ccccc1C	839516090	FGWVNPVLUKSMCD-UHFFFAOYSA-N	305.422	1.805	50	20	DDGD	
CO[C@@H]1C[C@@H](NC(=O)NNc2cccc(C(=O)O)c2)C1(C)C	833719689	SPTQNSCFECTPAF-VXGBXAGGSA-N	307.350	1.824	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1c(C(C)C)nn(C)c1Cl	915955858	LWBIUAXMLCWXEA-UHFFFAOYSA-N	313.789	1.172	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cccc[n+]2[O-])cc1C(F)(F)F	746893009	BLYCKTGSWCNUJW-UHFFFAOYSA-N	322.246	1.967	50	20	DDGD	
C[C@H]1CCCC[C@H]1CNC(=O)NNC(=O)N=c1cc[nH]cc1	837866570	TVKNIJRXADYFIQ-RYUDHWBXSA-N	305.382	1.666	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1coc2ccccc12	747751269	JOMIBJAEKSLILT-LLVKDONJSA-N	320.370	1.708	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C(=O)Nc2ccc(C)cc2)n1	746506201	TTXFNKDBJWPNCB-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1ccccc1[N+](=O)[O-]	916362021	HECUXTNLHJJFBF-GFCCVEGCSA-N	320.349	1.013	50	20	DDGD	
CC(C)[C@@H](C(=O)O)C(=O)NNc1ncc(Br)cn1	848454496	PDAMSPNGUURKIN-SSDOTTSWSA-N	317.143	1.039	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cccc(Cl)n1)N(CC)CC	912505871	BXTSBJMEKUWQDI-LLVKDONJSA-N	312.801	1.616	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[C@H]2CNC[C@@H]2C1	842014628	IEGZEHJPQTUTAD-SDDRHHMPSA-N	319.365	1.609	50	20	DDGD	
CN(C)[C@H](C(=O)NNC(=O)C1CC1)c1c(F)cccc1Cl	740749424	YQXXVCDCVZLDCK-LBPRGKRZSA-N	313.760	1.639	50	20	DDGD	
COCCNCCNC(=O)NNc1cc(Cl)cc(Cl)c1	841967701	FXUSSRMUYLMNNQ-UHFFFAOYSA-N	321.208	1.856	50	20	DDGD	
C[C@]1(C(=O)NCCCOc2ncccn2)C[C@H]1Br	911974947	BORVTVVPPOGPPQ-SKDRFNHKSA-N	314.183	1.535	50	20	DDGD	
O=C(NNC(=O)c1cccc2ccccc12)c1cc[n+]([O-])cc1	741582525	OKZVBLGCPVNUGV-UHFFFAOYSA-N	307.309	1.548	50	20	DDGD	
O=S(=O)(CBr)N1C[C@H](O)C[C@@H]1c1ccccc1	841557513	LRSAUJMBRFPMNL-GHMZBOCLSA-N	320.208	1.477	50	20	DDGD	
N#CC1(CNC(=O)NNC(=O)COc2ccccc2F)CCC1	842196626	NDSPNWADRCGUGL-UHFFFAOYSA-N	320.324	1.229	50	20	DDGD	
CC[C@@](O)(CC(=O)NNC(=O)[C@H]1CCCCO1)c1ccccc1	840468517	GIHLKUHIUGYJEO-RHSMWYFYSA-N	320.389	1.391	50	20	DDGD	
Cc1nc(Cc2ccccc2)sc1C(=O)NN(C)C[C@H](C)O	910171508	WTDBUPXNJMNKRA-NSHDSACASA-N	319.430	2.000	50	20	DDGD	
O=C(NN=Cc1coc2ccccc12)[C@H]1CCS(=O)(=O)C1	746567206	XPHXMLYSWFYYFS-JTQLQIEISA-N	306.343	1.318	50	20	DDGD	
N#Cc1c[nH]c(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c1	748287345	LGZQJIVGOZEJQV-UHFFFAOYSA-N	307.313	1.371	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1nc(-c2ccccc2)n[nH]1	741418171	ORKHNRZWXWFSMB-UHFFFAOYSA-N	316.365	1.348	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1C	911502490	IDNDTZNZCZOHII-FZMZJTMJSA-N	304.346	1.384	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1cccc(OC2CCCC2)c1	841029252	NCLHNKWAMOVSPO-UHFFFAOYSA-N	320.393	1.900	50	20	DDGD	
O=C(NN=Cc1cc(Cl)cc(Cl)c1O)C(=O)NC1CC1	744827448	IXULLBWLAFJEEL-UHFFFAOYSA-N	316.144	1.428	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNC(=O)NCCc1cccs1	841384608	AXVMPJJEMCRXMH-LBPRGKRZSA-N	313.423	1.682	50	20	DDGD	
CCCCSCC(=O)NNC(=O)Cn1cnc2ccccc21	914459496	ZSVGTURCIDABLJ-UHFFFAOYSA-N	320.418	1.717	50	20	DDGD	
CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NN	841869139	YOFCXGWPTLONFO-XVKPBYJWSA-N	302.172	1.698	50	20	DDGD	
O=C(O)CCCCNC(=O)NNC(=O)CCc1ccccc1	840992746	KMWNIQILCZVEFA-UHFFFAOYSA-N	307.350	1.205	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)COc1ccc(C#N)cc1)C1CC1	920053331	DPQYOCINUWCITE-NSHDSACASA-N	316.361	1.314	50	20	DDGD	
CNC[C@@H]1CCCN1C(=O)NC[C@@]1(C)C[C@H]1Br	857106092	YNVZCKRAZHTWJI-HOSYDEDBSA-N	304.232	1.553	50	20	DDGD	
C[C@@]1(CN=c2nn[nH]n2-c2ccccc2)C[C@@H]1Br	856787233	WYZWJTUXLBKSHA-JQWIXIFHSA-N	308.183	1.670	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H](C)CN2CCC(C)CC2)n1	852602099	CMLXIGQFFCCNNK-AWEZNQCLSA-N	320.441	1.840	50	20	DDGD	
Cc1cccc(C)c1[C@@H]1CCCN1CC(=O)NNC(=O)C1CC1	852311394	DSVYSQPTISZHGS-HNNXBMFYSA-N	315.417	1.998	50	20	DDGD	
C[C@H]1CN(Cc2ccccc2)CC1=NNC(=O)N1CCOCC1	751526685	OXNRWSUQENHEFK-AWEZNQCLSA-N	316.405	1.536	50	20	DDGD	
COc1cc(C)ccc1NC(=O)NNC(=O)c1cnccn1	756180754	IRIKZQNGSUHNAO-UHFFFAOYSA-N	301.306	1.260	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)OCC(F)(F)F)o1	856019095	PKQSDXIRRMPXDZ-UHFFFAOYSA-N	309.244	1.869	50	20	DDGD	
CCN1CCCC[C@H]1CNC(=O)NNC(=O)c1cc(C)cs1	858212850	WJNIYGLJTYSSIV-LBPRGKRZSA-N	324.450	1.875	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1cc(F)cc(F)c1	853388192	AGIVXLJRLVXQGU-CABCVRRESA-N	323.343	1.668	50	20	DDGD	
C[C@]1(CNC(=O)NCC2(CC(N)=O)CC2)C[C@H]1Br	856864892	NCGXGOPLBYPWEI-LDYMZIIASA-N	318.215	1.115	50	20	DDGD	
C[C@H](NC(=O)NC[C@]1(C)C[C@@H]1Br)c1ncnn1C	856851527	FWCLSEJPCXFDKN-LAEOZQHASA-N	316.203	1.349	50	20	DDGD	
CCCNC(=O)NNC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2	921040832	HTDIPEPKTUMFHT-UHFFFAOYSA-N	320.393	1.832	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H](C)Cc2cnn(C)c2)c1	858520219	QSKWOEYWEPIEDL-JTQLQIEISA-N	321.406	1.365	50	20	DDGD	
O=C(NC[C@@H]1CCCS1(=O)=O)NNc1cc(F)ccc1F	921518355	BEOGVMNBSCHYQN-VIFPVBQESA-N	319.333	1.168	50	20	DDGD	
Nc1cc(C(=O)NNc2cc(Cl)nc(N)n2)cc(Cl)n1	753457669	RSERQTRBYHRBTB-UHFFFAOYSA-N	314.136	1.100	50	20	DDGD	
CNC(=S)N(C)NC(=O)Cc1cccc(OC)c1Cl	854928633	ILESNNDZTGXQBU-UHFFFAOYSA-N	301.799	1.358	50	20	DDGD	
C=CCCn1cc(C(=O)NC[C@@]2(C)C[C@H]2Br)nn1	857386352	UBHMSEPJSBKVTQ-ZYHUDNBSSA-N	313.199	1.758	50	20	DDGD	
CCc1cc(C(=O)NNC(=S)N[C@@H](C)C2CC2)ccc1O	855097565	SYDOZQOOESZJJQ-VIFPVBQESA-N	307.419	1.862	50	20	DDGD	
C[C@H](O)[C@H]1CCCN1C(=O)NC[C@@]1(C)C[C@@H]1Br	856960600	RULFKOQGVPPRTE-MIZYBKAJSA-N	305.216	1.715	50	20	DDGD	
Nc1c(C(=O)NNC(=O)CC2CC2)cnn1Cc1ccccc1	854665859	HAKXMPCFVZNJRJ-UHFFFAOYSA-N	313.361	1.075	50	20	DDGD	
C=CCOc1cccnc1C(=O)NNC(=S)NCC1CCC1	855089607	YFXLYUIZDJFLSA-UHFFFAOYSA-N	320.418	1.555	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)COc1cc(C)cc(C)c1)C1CC1	858127394	ZIZMZJBABVUXLY-INIZCTEOSA-N	320.389	1.645	50	20	DDGD	
C[C@H](C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1	853386798	APGKPATUAPKCJR-BMFZPTHFSA-N	301.390	1.755	50	20	DDGD	
CC[C@H](C(=O)NC[C@]1(C)C[C@H]1Br)N1CCCC1=O	857399263	VSQJVJAUYPBRMA-BREBYQMCSA-N	317.227	1.677	50	20	DDGD	
CC(C)[C@H](CO)CNC(=O)NC[C@]1(C)C[C@H]1Br	856959446	UMXWQOHGPZVXPC-UMNHJUIQSA-N	307.232	1.724	50	20	DDGD	
CC[C@@H](C(=O)NN(C)C(=S)NC)N(C)C(=O)OC(C)(C)C	854928670	JVDSTZXDOZAGKT-VIFPVBQESA-N	318.443	1.099	50	20	DDGD	
C[C@]1(CNC(=O)c2cc3n(n2)CCCO3)C[C@H]1Br	857391926	WBUCPFXJBZELAT-BXKDBHETSA-N	314.183	1.569	50	20	DDGD	
CCC(=O)N1CCc2ccc(NC(=O)NN(C)CCOC)cc21	934178483	AVYQFEGLJBXCLO-UHFFFAOYSA-N	320.393	1.600	50	20	DDGD	
C[C@@H](NNC(=O)c1cnn(C)c1C(F)(F)F)C(F)(F)F	862309975	QMFVSHPKAYFUEM-SCSAIBSYSA-N	304.194	1.624	50	20	DDGD	
COc1cc(NC(=O)NNc2cnccn2)cc(OC)c1OC	769923456	OLROWZRPALKQJP-UHFFFAOYSA-N	319.321	1.651	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2cccc(Cl)c2Cl)N1	863146947	YKCLNFFZXQILNL-SECBINFHSA-N	300.145	1.722	50	20	DDGD	
Cc1ccc(-n2cc(C)cn2)c(NCc2ccccc2B(O)O)c1	864029629	CSAVRJBIRHJFDH-UHFFFAOYSA-N	321.189	1.781	50	20	DDGD	
COC(=O)c1coc(/C=C\C(=O)NN(C)C(=O)OC(C)(C)C)c1	868857388	NSFAAFUDRAIFDN-SREVYHEPSA-N	324.333	1.978	50	20	DDGD	
O=C(NNS(=O)(=O)c1csc([N+](=O)[O-])c1)C1CCCC1	768865093	GUQOMPAWBAVQLY-UHFFFAOYSA-N	319.364	1.156	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cccc2c1OCC2	861379070	CAMBSPCJGBKJRG-KOLCDFICSA-N	305.334	1.199	50	20	DDGD	
Cc1cc(=NNC(=O)c2ccnc(O[C@H]3CCOC3)c2)cc[nH]1	862513091	BSYXIILGDYMRDZ-AWEZNQCLSA-N	314.345	1.132	50	20	DDGD	
COC(=O)c1c(C)[nH]c(C(=O)NN[C@H](C)C(F)(F)F)c1C	862306586	MHMYZEIOXYYVKV-SSDOTTSWSA-N	307.272	1.603	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H](C)c1cccc(O)c1	935868669	DRSZWHVFZDOCKJ-LLVKDONJSA-N	324.377	1.432	50	20	DDGD	
CS/C=C/C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1	763158392	OVTHEOOIOLMWPD-GQCTYLIASA-N	308.388	1.776	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NNC(=O)c1c[nH]c2ccccc12	862993933	QXHYBFJMMRNXGD-AWEZNQCLSA-N	314.389	1.802	50	20	DDGD	
Cc1nc([C@H]2CCOC2)sc1C(=O)NNC(=O)C(C)(C)C	864889060	OBOICCVJTYBHFK-VIFPVBQESA-N	311.407	1.763	50	20	DDGD	
CC(C)C[C@H](C)n1nccc1NC(=O)NNC(=O)c1cn[nH]c1	860922991	KYFJFELNVNPHOP-JTQLQIEISA-N	319.369	1.680	50	20	DDGD	
CCOC(=O)[C@H](C)[C@H](C)NS(=O)(=O)CC(C)(C)CCl	867097247	UWILXSVSTYZHBG-ZJUUUORDSA-N	313.847	1.759	50	20	DDGD	
Cc1cc(CC(=O)NNc2cncc(Br)c2)no1	1116395051	CWBFUSTZNDEQGF-UHFFFAOYSA-N	311.139	1.826	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@H]1C(=O)O)c1cccc(Cl)c1	872831944	RWTUZNUVDOOPAN-GHMZBOCLSA-N	310.737	1.602	50	20	DDGD	
COc1ccnc(C(=O)NNc2ccc(OC)cc2[N+](=O)[O-])c1	768332452	ZWBQQESZIYGPIX-UHFFFAOYSA-N	318.289	1.764	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1cnn(CC2CC2)c1	878017140	GGWUZEJVYKYYAF-UHFFFAOYSA-N	313.361	1.166	50	20	DDGD	
C[C@@H](CC(=O)NNC(=S)Nc1ccccn1)c1cnn(C)c1	874956109	LJJXWYUCPWNVNQ-JTQLQIEISA-N	318.406	1.327	50	20	DDGD	
O=C(NNc1ncc(F)cn1)C(=O)Nc1cccc2cc[nH]c12	1116730222	FKQRFRDIIAXDQP-UHFFFAOYSA-N	314.280	1.179	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H]2CCC=CO2)cn1	874954376	SWEDVYGCNILSJT-JTQLQIEISA-N	308.363	1.101	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccc(-c2ccccc2)cc1OC	1116518922	RKQGBLDHDNGLFQ-UHFFFAOYSA-N	312.325	1.985	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1ccn(C)c1	772970097	AETZWSAJFWLFLO-JTQLQIEISA-N	321.764	1.907	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)C(C)(C)C	772135641	IDENGJNBPWCZKQ-GHMZBOCLSA-N	300.399	1.794	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2ccc[nH]2)c(F)c1	771931000	PQTUFSWAIGTVFU-UHFFFAOYSA-N	305.265	1.015	50	20	DDGD	
COc1ncc(NC(=O)NNc2ccccc2F)cc1C(N)=O	770067936	BSRBLVFDJDKLHM-UHFFFAOYSA-N	319.296	1.477	50	20	DDGD	
CSCCNC(=S)NNC(=O)CO[C@@H]1CCC[C@@H](C)C1	770245874	IJSKXICBUINUKJ-GHMZBOCLSA-N	319.496	1.440	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(F)cn2)n(C2CCOCC2)n1	874646955	JXAXOOLWEVXLKT-UHFFFAOYSA-N	319.340	1.834	50	20	DDGD	
Cn1cc(Br)c(NC(=O)NNC(=O)C2CCC2)n1	879965936	WDAHJSONAYNKBK-UHFFFAOYSA-N	316.159	1.135	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C2(C)CC(F)(F)C2)c1	873773633	UFTSWIGKYNCLBM-UHFFFAOYSA-N	312.316	1.957	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H](C)CSC)c1	874950053	MRTDKWMVABPRFT-JTQLQIEISA-N	307.444	1.985	50	20	DDGD	
CCN(CC)Cc1ccccc1CNC(=O)NN(C)C(=O)OC	875024281	PLLYTGDHXBNIIM-UHFFFAOYSA-N	322.409	1.941	50	20	DDGD	
Cc1nccc(NC(=O)NNc2cccc(S(C)(=O)=O)c2)n1	776496372	WAZMBOCJSSLCSK-UHFFFAOYSA-N	321.362	1.337	50	20	DDGD	
C[C@@H](OCC1CC1)C(=O)NNC(=O)c1nc2ccccc2s1	874913042	AOAXTCXNHKWIAR-SECBINFHSA-N	319.386	1.872	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCCCSC#N)C1	773585166	FMBYSALUEZEDHH-CHWSQXEVSA-N	311.451	1.992	50	20	DDGD	
O=C(NNC(=O)[C@@H](F)Cc1ccccc1)c1ccccc1O	777970417	AMNLVRKIFIWOIV-ZDUSSCGKSA-N	302.305	1.734	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CCO[C@H](C)C2)c([N+](=O)[O-])c1	776346163	FGKADTFAWGJWAS-ZJUUUORDSA-N	309.322	1.862	50	20	DDGD	
CN(C)C(=O)c1ccc(NC(=O)NNC(=O)CC2CC2)c(F)c1	880643449	CIUGJIUPIZLETI-UHFFFAOYSA-N	322.340	1.480	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C)c(C)c1O	772038482	WUEOQDFJJKRXHA-SNVBAGLBSA-N	308.334	1.112	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CC[C@H]2CC[C@@H](C)O2)cc1O	882048540	BOIHDZBHJQUFIF-DGCLKSJQSA-N	306.362	1.809	50	20	DDGD	
O=C(CCc1cccc2c1OCO2)NNc1ncncc1Cl	781824458	RFAZEDZDBFVYMA-UHFFFAOYSA-N	320.736	1.935	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCC1(C(N)=O)CCCC1	781091128	GNNVNCDXUIHWOA-SECBINFHSA-N	319.243	1.958	50	20	DDGD	
CCn1[nH]c(C)nc1=NC(=O)NNc1ccc(F)c(Cl)c1	888546910	AEXSADHMVYJELJ-UHFFFAOYSA-N	312.736	1.969	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cnc2cc[nH]c2c1	880851662	CIEGPYOAGPDURR-UHFFFAOYSA-N	308.210	1.995	50	20	DDGD	
COC(=O)COc1ccc(C(C)=NNC(=O)C(F)F)cc1	782232632	WAOPRTKNLDLKSO-UHFFFAOYSA-N	300.261	1.344	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)ccn1	789869829	YTLZHLXMFLZOQR-UHFFFAOYSA-N	323.356	1.280	50	20	DDGD	
Cc1ccc([C@@H]2C[C@@H](C)N(CC(=O)NNC(=O)C3CC3)C2)cc1	786124194	DETDZJIOQUNJMT-CZUORRHYSA-N	315.417	1.730	50	20	DDGD	
COc1ccc(NNC(=O)c2c(C(F)(F)F)n[nH]c2C)nc1	781526203	QKZPPVIKFQFGCK-UHFFFAOYSA-N	315.255	1.897	50	20	DDGD	
N#CCCCOc1cccnc1NC(=O)NNc1ncccn1	786150069	MITJYLWOZMAHTC-UHFFFAOYSA-N	313.321	1.703	50	20	DDGD	
COc1cccc(NNC(=O)COc2cccc(C(C)=O)c2)n1	780771310	JQJOTBFDCRYMGI-UHFFFAOYSA-N	315.329	1.815	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCCNc1ncccn1	787178334	VBDQOENMLWOFOA-RAXLEYEMSA-N	309.329	1.317	50	20	DDGD	
CC1(C)CC(CNC(=O)NNC(=O)COc2ccccc2F)C1	780869514	PGMKINOCAXNVGY-UHFFFAOYSA-N	323.368	1.971	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=Cc1cnc(N)nc1	781584530	UMPHKSVDTDNEBT-VIFPVBQESA-N	303.297	1.116	50	20	DDGD	
C#CCSCC(=O)NNC(=S)Nc1cccc(C)c1C	895593628	WDXBPXRLZUZOOI-UHFFFAOYSA-N	307.444	1.987	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccc(O)c(O)c2)cc(O)c1O	794558209	YUXIUCAYXPILTB-UHFFFAOYSA-N	318.285	1.282	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53	798124131	IQXPMRVVYFWBGR-DIJRRZNFSA-N	319.474	1.674	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1ccnn1-c1ccccc1	799106273	AJGUIFFCPWPNDI-UHFFFAOYSA-N	306.329	1.816	50	20	DDGD	
CC(=O)Nc1ccc(C(C)=NNC(=O)N2CCN(C)CC2)cc1	790174586	SQOBWLYNHBSCBL-UHFFFAOYSA-N	317.393	1.326	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cccc2cc[nH]c12	798315572	KSRXYEKJAHGEEZ-UHFFFAOYSA-N	300.240	1.674	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCC[C@@H](C)C1	790064104	TUTNULHGTKOOTC-NEPJUHHUSA-N	300.399	1.749	50	20	DDGD	
CC(=O)c1cccc(NC(=O)C(=O)NNc2ncccc2C)c1	792374238	BMJWGTRACXVQRH-UHFFFAOYSA-N	312.329	1.674	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1ccnn1CC(F)F	790874556	RVVDTGTWFWYOCK-UHFFFAOYSA-N	301.684	1.954	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	798309639	JUVRJSLAFBOHDJ-ZDUSSCGKSA-N	321.377	1.204	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2nonc2C)c2ccccc2n1	799006915	MHDSWWXCBKZFTF-UHFFFAOYSA-N	311.301	1.309	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CC[C@H]2OCCC[C@@H]2C1	1319330542	DHOOJTGNQDFYOB-UKRRQHHQSA-N	317.389	1.850	50	20	DDGD	
CCC(C)(C)C1CCC(NC(=O)NNC(=O)C(=O)OC)CC1	1318878073	WHQRLZMCKLXXGZ-UHFFFAOYSA-N	313.398	1.485	50	20	DDGD	
Nc1cnnc(NNC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c1Cl	1319214376	GMRMHRITTGEDHO-JVHMLUBASA-N	323.784	1.551	50	20	DDGD	
CC(C)CN(CC(=O)NNC(=O)C1CC1)C(=O)OC(C)(C)C	1319200093	NIJFCANASNKVEC-UHFFFAOYSA-N	313.398	1.437	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCC1CCC(C)(C)CC1	1326753822	YSSCDHDUQSVVTB-WCQYABFASA-N	311.426	1.958	50	20	DDGD	
CO[C@@]1(C)CCCN(C(=O)NNC(=O)c2cc(C)cs2)C1	1328731134	HQVWFUPLAAHTRL-AWEZNQCLSA-N	311.407	1.912	50	20	DDGD	
CC(C)OCCCCNC(=O)NNc1nncc(N)c1Cl	1320281310	CHKZNYIEDUBKAF-UHFFFAOYSA-N	316.793	1.544	50	20	DDGD	
Cc1noc(C(F)(F)F)c1C(=O)NNc1ncncc1F	1324304662	LOTJHXIHAUBIGH-UHFFFAOYSA-N	305.191	1.688	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(C)n1CC1CC1	1326347559	GDFNSRXSLYCCIO-OCCSQVGLSA-N	319.405	1.701	50	20	DDGD	
Cc1cc(Br)cc2c1C(=NNC(=O)CCO)CC2	1322142543	YZPKRVCKGNLYSG-UHFFFAOYSA-N	311.179	1.906	50	20	DDGD	
N#Cc1ccc(NC(=O)NNC(=O)C2CCNCC2)c(Cl)c1	1325318859	JTMHVYMVTYFEIT-UHFFFAOYSA-N	321.768	1.364	50	20	DDGD	
CCO[C@H](C)c1noc(CN2CCN(C(=O)CCl)CC2)n1	1253969031	YDIUNMCJWHQRBI-SNVBAGLBSA-N	316.789	1.050	50	20	DDGD	
CO[C@H]1CCC[C@@H]1C(=O)NNC(=O)CSc1ccccc1O	1335873229	BBASYDKXROZIHE-JQWIXIFHSA-N	324.402	1.447	50	20	DDGD	
CC(Cc1ccccc1Cl)=NNC(=O)C(=O)N1CCCC1	1339466643	YEVSPBZESZTBFE-UHFFFAOYSA-N	307.781	1.997	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)C2CCOCC2)[C@H](C)C1	1333216588	YHMZYSAVDCWQRX-DGCLKSJQSA-N	310.394	1.885	50	20	DDGD	
C[C@]1(CNC(=O)c2cnn3c2NCCC3)C[C@H]1Br	1352453178	XRHWHKHNYWAVTN-BXKDBHETSA-N	313.199	1.602	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2nc(-c3ccccc3)no2)o1	1602324593	SFHDJJMMBNOMBE-UHFFFAOYSA-N	314.257	1.785	50	20	DDGD	
O=C(O)CC1(CC(=O)NNC(=O)Cc2ccsc2)CCCC1	1601913404	FPYMQLMQMBGQCE-UHFFFAOYSA-N	324.402	1.863	50	20	DDGD	
C=C(C)CNC(=O)/C(C#N)=C\c1cc(-c2nn[nH]n2)n(C)c1C	1609051628	LBUSKDITHHCWKZ-XGICHPGQSA-N	311.349	1.113	50	20	DDGD	
Cc1ccc(NNC(=O)c2ccc3nncn3c2)cc1C(=O)O	1600461378	HMZFOOXNEGROSM-UHFFFAOYSA-N	311.301	1.493	50	20	DDGD	
CCCCCCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1609209235	UAKHYNRHTHYDND-UHFFFAOYSA-N	316.365	1.598	50	20	DDGD	
O=C(O)/C=C\c1ccc(C(=O)NNC(=O)c2ccccc2F)o1	1601878340	YPPAQSMOFKJKGH-VURMDHGXSA-N	318.260	1.591	50	20	DDGD	
Cc1cc(COC(=O)/C(C#N)=C/c2cnn(C)c2)oc1C(=O)O	1600213854	XJQXTXPCQBUEFO-NYYWCZLTSA-N	315.285	1.670	50	20	DDGD	
Cc1nn(C)c(C)c1CCC(=O)NNc1ccccc1C(=O)O	1600770501	DYJJGRRQWYVWJF-UHFFFAOYSA-N	316.361	1.811	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)[C@H]1CCc2nncn2CC1	1602471410	HRZNNMGTCPDQQD-JTQLQIEISA-N	315.333	1.072	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@H](C(=O)O)C(C)(C)C)n1	1603739403	QDONEHILDDEJLK-LLVKDONJSA-N	323.397	1.513	50	20	DDGD	
CCc1nc(CNC(=O)NNc2cccc(C(=O)O)c2F)co1	1610071734	JVNVGTGDMUJESN-UHFFFAOYSA-N	322.296	1.901	50	20	DDGD	
CCSc1ccc([C@@H](C)NC(=O)NNC(=O)C(=O)O)cc1	1610051346	FQQDEJZRXNQECX-MRVPVSSYSA-N	311.363	1.275	50	20	DDGD	
Cn1c(C(=O)O)ccc1C(=O)NNc1cc(C#N)cc(Cl)n1	1610595882	LGCVKFTYXKQXIH-UHFFFAOYSA-N	319.708	1.400	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cccc3c2OCCO3)nc1	1610836098	YGBZAAXXTHSSMO-UHFFFAOYSA-N	315.285	1.308	50	20	DDGD	
COCCN(CC(C)C)NC(=O)[C@@H]1NCC[C@H]2CCCC[C@H]21	1579026321	POBWGIBKEJAOCP-BZUAXINKSA-N	311.470	1.790	50	20	DDGD	
NCCCC(=O)NNC(=O)c1ccc(C#Cc2ccccc2)cc1	1580289217	FMPIQIMURGBWBX-UHFFFAOYSA-N	321.380	1.586	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)C[C@@H]2NCc3ccccc32)cc1	1580063882	BKJUVUBKNZYSPB-INIZCTEOSA-N	320.352	1.554	50	20	DDGD	
Nc1cc(NC(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)ccc1F	1580436652	JQGFFHUJLZQLLU-KBVBSXBZSA-N	308.313	1.128	50	20	DDGD	
CO[C@H](C(=O)NNc1ncccc1C(=O)O)c1ccc(F)cc1	1593898053	CCMLIYXISLWMIP-LBPRGKRZSA-N	319.292	1.750	50	20	DDGD	
CCn1nccc1C(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1597962795	OMCKGYPQWJMIEY-UHFFFAOYSA-N	323.378	1.110	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)Nc2cc(C(=O)O)ccn2)n1	1594453175	JHGYHSZBFHSZDG-UHFFFAOYSA-N	322.712	1.680	50	20	DDGD	
CN(C)[C@@H]1CCC[C@H](NC(=O)NNc2cccc(C(=O)O)c2)C1	1598191383	OZSBTILVXGVMIA-GXTWGEPZSA-N	320.393	1.884	50	20	DDGD	
N#C/C(=C/c1ccc(-c2nn[nH]n2)cc1)C(=O)C1CCOCC1	1592663158	UIBFOSXSUAYTEA-ZROIWOOFSA-N	309.329	1.769	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1ccnc(-c2nn[nH]n2)c1	1593167685	OTKJVBFNKSUWJS-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=Cc1ccc(OCC(=O)O)cc1	1776102258	KYGLHKDZKWZWEC-CHWSQXEVSA-N	306.318	1.025	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NN=Cc1ccc(/C=C/C(=O)O)o1	1776098620	QZHXOEMZFDYYOJ-BKNSDEIPSA-N	319.361	1.700	50	20	DDGD	
CC(=NNC(=O)NCc1ccco1)c1cncc(C(=O)O)c1	1776039056	HZVADZVSHAZMBH-UHFFFAOYSA-N	302.290	1.596	50	20	DDGD	
CC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Cl)C2	1795912319	AGUPZONZHSXWMD-BZNPZCIMSA-N	312.719	1.814	50	20	DDGD	
CCNC(=S)NNC(=O)c1cc(F)ccc1Br	14808324	OQBJIBHISSGNEQ-UHFFFAOYSA-N	320.187	1.717	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=S)Nc1ccccn1	161819366	HMGFMKAEAZADGY-UHFFFAOYSA-N	320.349	1.617	50	20	DDGD	
COC(=O)NNC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1	158775262	OUCIKUBTSGBZOA-VHSXEESVSA-N	313.151	1.940	50	20	DDGD	
Cc1ccc(F)c(OCC(=O)NNC(=O)Cc2cccnc2)c1	163383793	KGCZXWIGRYJZOW-UHFFFAOYSA-N	317.320	1.298	50	20	DDGD	
CCc1n[nH]c(=O)c(C(=O)NNc2ccccc2F)c1CC	153143792	DAKDUSPGLQNIRQ-UHFFFAOYSA-N	304.325	1.791	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc2c(s1)CCC2	154047836	UPEVLUSINJKUHL-UHFFFAOYSA-N	315.489	1.709	50	20	DDGD	
O=C(Cc1ccc(-n2cnnn2)cc1)NNc1cccc(F)c1	154072430	MNWURENWFYAERH-UHFFFAOYSA-N	312.308	1.487	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc(N2CCOCC2)cc1	6475948	RQFZIKHXFCMGEM-QINSGFPZSA-N	315.373	1.193	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)c2ccccn2)cc1OC	8197872	AIBZIVDPJCHBJZ-UHFFFAOYSA-N	315.329	1.103	50	20	DDGD	
C[S@](=O)Cc1cccc(C(=O)NNC(=O)CC(C)(C)C)c1	103198716	UIOGHFZUWRCGDD-OAQYLSRUSA-N	310.419	1.762	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2ccc(C#N)cn2)c1	107429136	ZWHVGMUJWODGEX-UHFFFAOYSA-N	309.329	1.094	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@@H](C)c2ccccc2F)n1	108986201	MKVDGROYRBMYCQ-LBPRGKRZSA-N	318.352	1.590	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)c2ccc(C#N)cc2)c1	173332034	YRXSHSAGUWWCMB-UHFFFAOYSA-N	324.296	1.850	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](C)Cc1ccc(C)cc1C	66716788	VFGQNRWOPSSVES-CYBMUJFWSA-N	307.394	1.601	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2ccc([C@H](C)O)cc2)o1	176472545	JKIVZBGGDHBMOM-NSHDSACASA-N	317.345	1.786	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CCn2c(C)csc2=O)n1	22235715	ZKFHWWKCLPBDKN-UHFFFAOYSA-N	307.379	1.158	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(N(C)C)ccn2)n1	175389132	JRQIBTZAWUYBCQ-UHFFFAOYSA-N	302.338	1.012	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)N1CCOCC1)Cc1cccc(F)c1	174364497	FJFPRJBMDNUWSC-GFCCVEGCSA-N	323.368	1.467	50	20	DDGD	
Cc1occc1CN(C)CC(=O)NNC(=O)c1ccccc1	178724206	JXBKTILQNRSTSG-UHFFFAOYSA-N	301.346	1.481	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)NNc1c(F)cccc1F	118514595	ODFCRACNDUDKFB-UHFFFAOYSA-N	306.334	1.479	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)CNc1ccc(C)cc1	175142268	TVGBWLNJBZWOSE-UHFFFAOYSA-N	305.378	1.537	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1C1CC1)c1cc(Br)c[nH]1	177655503	HLWIOVJRURWRGX-DTWKUNHWSA-N	312.167	1.584	50	20	DDGD	
Cc1nc(CNC(=O)NNC(=O)Cc2cccnc2)sc1C	176394635	MZRBVBHQVMYVBI-UHFFFAOYSA-N	319.390	1.228	50	20	DDGD	
O=C(C[C@@H]1OCCc2ccccc21)NNC(=O)c1ccncc1	115314383	UPYHNBXVLVDYGI-HNNXBMFYSA-N	311.341	1.547	50	20	DDGD	
Cc1nn(C)cc1C(=O)NNC(=O)Cc1ccc(Cl)cc1	113141530	XYQSUYZPVCRONI-UHFFFAOYSA-N	306.753	1.386	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)o1	24122131	CTTQOYBGJNWGEL-UHFFFAOYSA-N	312.123	1.753	50	20	DDGD	
COc1cc(C(=O)NNC(=O)NC2CCCC2)cc(OC)c1C	65918913	XDHLAVZCBCIJEX-UHFFFAOYSA-N	321.377	1.899	50	20	DDGD	
Cc1nn(CC(C)C)c(C)c1CCC(=O)NNC(=O)NC1CC1	64429273	CKRIZRGEBFJVDC-UHFFFAOYSA-N	321.425	1.581	50	20	DDGD	
Cc1noc2nc(C3CC3)cc(C(=O)NNC(=O)NC3CC3)c12	64429211	YSTIHURDYJSZEP-UHFFFAOYSA-N	315.333	1.515	50	20	DDGD	
COC(=O)[C@H](C)NS(=O)(=O)c1ccc(CCCl)cc1	37843342	YOSHRHHSFIQBDV-VIFPVBQESA-N	305.783	1.308	50	20	DDGD	
CCCn1ncc(C(=O)NNc2nccc(OC)n2)c1C1CC1	122773272	CZRNSYKMMDBXQK-UHFFFAOYSA-N	316.365	1.726	50	20	DDGD	
CCc1cccc(NC(=O)C(=O)NNc2cncc(Cl)n2)c1	128223152	NRHCVEURCYJPBU-UHFFFAOYSA-N	319.752	1.774	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cccn2C(C)C)n1	123917403	BWSVBOOTUWDJDD-UHFFFAOYSA-N	303.366	1.344	50	20	DDGD	
O=C(CO)NNC(=O)c1ccc(CSc2ccccc2)cc1	182766297	JGTPXYFFWMJZHA-UHFFFAOYSA-N	316.382	1.732	50	20	DDGD	
CSc1cccc(C(=O)NNc2cnccn2)c1[N+](=O)[O-]	188163575	LCKIPRVHUBULNR-UHFFFAOYSA-N	305.319	1.864	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@@H]1CCN(c2ccccn2)C1	120465795	BBQUQCLKCDCNBQ-LLVKDONJSA-N	305.382	1.037	50	20	DDGD	
O=S(=O)(CCCCCl)N1CC[C@H](CN2CCCC2)C1	154363760	ROWVOVPAMMCDRH-CYBMUJFWSA-N	308.875	1.753	50	20	DDGD	
CC1CCN(CCNC(=O)NNc2ccc(Cl)nn2)CC1	127042974	AIGKDXULJONVQV-UHFFFAOYSA-N	312.805	1.488	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](CC)c1ccccc1	77163985	PQYAMAZMOZBTMJ-AWEZNQCLSA-N	319.405	1.632	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cccnc2)ccc1N(C)C	183685473	MYZMSJWEQZBNTA-UHFFFAOYSA-N	313.361	1.923	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccncc2)c(C)c1	184799722	MDXOXZATFNHXAD-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
N#CC1(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)CCC1	76989347	LHPSCAFHTCPUQN-UHFFFAOYSA-N	309.329	1.532	50	20	DDGD	
CCN(CC(=O)NNC(=O)COc1cc(C)ccc1C)C1CC1	130252274	DRYYGICKUYSCLP-UHFFFAOYSA-N	319.405	1.314	50	20	DDGD	
CN(C)C(=O)CCNC(=O)NNc1ccccc1C(F)(F)F	47029937	NFPSUKRHHSWHDU-UHFFFAOYSA-N	318.299	1.810	50	20	DDGD	
COc1ccc(COCCCC(=O)NNc2ncccn2)cc1	89698066	MUBAMYZMQFBQTG-UHFFFAOYSA-N	316.361	1.925	50	20	DDGD	
O=C(NCC1CCOCC1)NNC(=O)c1c[nH]c2ccccc12	194802685	LMTREJIVJVBRAU-UHFFFAOYSA-N	316.361	1.539	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cccc(C(C)C)c2)ncn1	190142282	DTMHGMHSTYYNSO-UHFFFAOYSA-N	313.361	1.990	50	20	DDGD	
CC/C=C(\C)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1	194568586	IGBHRPFOEOJMSR-UXBLZVDNSA-N	310.375	1.207	50	20	DDGD	
O=C(NNc1nc2ccccc2c(=O)[nH]1)c1[nH]nc2c1CCCC2	137162620	HNMDSGVQDUJWKU-UHFFFAOYSA-N	324.344	1.282	50	20	DDGD	
O=C(NNC(=O)c1ccncc1C(F)(F)F)c1cccnc1	194543855	YGGUAQZCQWJRQM-UHFFFAOYSA-N	310.235	1.570	50	20	DDGD	
O=S(=O)(CCCCCl)NCc1noc2c1CCCC2	288705516	XDKAHLBECDQEBO-UHFFFAOYSA-N	306.815	1.992	50	20	DDGD	
COc1ccc(SCCC(=O)NNC(=O)c2ccc[nH]2)cc1	96991896	OICCCFDPEGWLFT-UHFFFAOYSA-N	319.386	1.967	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@@H]1CCCN(c2ccccc2)C1	265290877	YIFWLJSYNNLMIH-CQSZACIVSA-N	316.405	1.786	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1ccccc1F)N(C)C1CC1	264338297	YYEOSPKPTUYUHC-JTQLQIEISA-N	308.357	1.252	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@](C)(O)[C@@H](C)c2ccccc2)[nH]n1	270602230	DXWRCTKIJPALPJ-MEDUHNTESA-N	316.361	1.034	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)C2CCC2)cc(OC)c1OC	272415862	ZKEKIDQHKWBSDT-UHFFFAOYSA-N	323.349	1.665	50	20	DDGD	
CCCCOc1ccc(NC(=O)NN(C)C(=O)NCC)cn1	276007472	ICAMFACAEHDPJM-UHFFFAOYSA-N	309.370	1.958	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)n1	279754352	DECCTIJRZZIDJA-HIFRSBDPSA-N	319.405	1.992	50	20	DDGD	
Cc1[nH]nc2ncc(C(=O)NNc3nnc(C4CC4)s3)cc12	273648432	XDERAWLNFXXJBJ-UHFFFAOYSA-N	315.362	1.752	50	20	DDGD	
O=C(NNC(=O)c1ccc(C(F)(F)F)c(F)c1)NC1CC1	275920528	YCBGWSHPAPOIKZ-UHFFFAOYSA-N	305.231	1.951	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C2SCCS2)cc1	270533255	VBEMRHAJPLVJHJ-UHFFFAOYSA-N	312.416	1.327	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](C)n2nnnc2C(C)(C)C)nc1	275546768	LQFHQIFBNQFEKH-SECBINFHSA-N	319.369	1.079	50	20	DDGD	
CNC(=O)CCCC(=O)NNC(=O)Nc1cc(F)cc(F)c1	283639641	CGNJCCOJDJIFHC-UHFFFAOYSA-N	314.292	1.034	50	20	DDGD	
CCC(CC)N1C[C@@H](C(=O)NNc2ncccc2F)CC1=O	285888183	GRYXYAOCPLBNMM-JTQLQIEISA-N	308.357	1.701	50	20	DDGD	
Cc1oc(C(C)C)nc1C(=O)NNC(=O)c1ccccc1O	286390991	CVWLFNOOTPYUGQ-UHFFFAOYSA-N	303.318	1.887	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@H]2CCC(=O)[C@H]2C)c1	281172508	LGILVXQQRVPBCO-WDEREUQCSA-N	304.346	1.922	50	20	DDGD	
O=C(NNC(=O)N1CCC1)c1ccc(COc2ccccc2)o1	284130530	ULZWSMFKLSETRY-UHFFFAOYSA-N	315.329	1.919	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C	287178925	DSTFUDIRRAHBAL-DGCLKSJQSA-N	319.409	1.709	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@@](C)(CC)OC	280959959	KLGDJKBXUSAUCT-MRXNPFEDSA-N	324.377	1.427	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)NC[C@H](C)c2nccs2)O1	298399089	RCIXYCGUXAHKQZ-GUBZILKMSA-N	312.395	1.145	50	20	DDGD	
Cc1ccc(CCC(=O)NNC(=O)Cc2cccnc2)s1	290319159	VLVBCJOKQAQRTF-UHFFFAOYSA-N	303.387	1.774	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CSCC#N)cc1	299162913	PPXSRJVMEMJEGR-UHFFFAOYSA-N	307.375	1.032	50	20	DDGD	
COc1cccc(C(=O)NCC(=O)NNc2cccc(F)n2)c1	804766438	HBDVTUULTWDAJD-UHFFFAOYSA-N	318.308	1.102	50	20	DDGD	
COCc1nc(CNC(=O)NNc2ccc(C)nn2)cs1	291231701	PFAHCPARKADWKQ-UHFFFAOYSA-N	308.367	1.214	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)CC1	802117863	FUCPGMZUXSIADG-UHFFFAOYSA-N	320.393	1.722	50	20	DDGD	
O=C(COCCOc1ccccc1)NNc1ncccc1F	804211806	XBVNFMCCQRXASE-UHFFFAOYSA-N	305.309	1.759	50	20	DDGD	
O=C(NNc1ncccc1F)C(=O)Nc1ccc2c(c1)COC2	807301850	JIJAQRPTEBBMSL-UHFFFAOYSA-N	316.292	1.333	50	20	DDGD	
Cc1ccc2c(c1)N(C(=O)C(=O)NNc1ncccc1F)CC2	807300282	HTHSKLHQCUQXDU-UHFFFAOYSA-N	314.320	1.562	50	20	DDGD	
O=C(NCCC(F)(F)F)NNc1ccc(-n2ccnc2)nn1	805162800	NHFVCHAJSJNPOJ-UHFFFAOYSA-N	315.259	1.241	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2ccc(C(C)(C)O)cc2)CC1	807983920	BYIFQXMZUJEASJ-UHFFFAOYSA-N	304.394	1.205	50	20	DDGD	
Cc1cc2c(cc1C)[C@@H](C(=O)NNC(=O)[C@H]1CCCCO1)CO2	295600442	PWLNKYRJXOQKGI-UONOGXRCSA-N	318.373	1.496	50	20	DDGD	
C=C(CBr)CN1CCC[C@H](S(C)(=O)=O)CC1	800458828	WGRBCSOOJIGRQL-NSHDSACASA-N	310.257	1.837	50	20	DDGD	
CC[C@@](O)(C(=O)NNC(=O)c1ccc[nH]1)c1cccc(Cl)c1	800390459	BYPCOTKRGYMUGB-HNNXBMFYSA-N	321.764	1.727	50	20	DDGD	
O=C(NCc1nnc2n1CCC2)NNc1cccc(Cl)n1	291947876	QEWVZBZCMXFBBF-UHFFFAOYSA-N	307.745	1.099	50	20	DDGD	
CCOc1ccccc1C(=O)NCCCC(=O)NN(C)C1CC1	819642651	MLSFFERUXXTXFQ-UHFFFAOYSA-N	319.405	1.721	50	20	DDGD	
CC(C)c1ccccc1OCC(=O)NNC(=O)c1ccnnc1	817692430	OFWLJBUEUSWAPH-UHFFFAOYSA-N	314.345	1.440	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H]2CCCN(C(N)=O)C2)cc1	817896060	NVHFVDKZFPQHLP-NSHDSACASA-N	306.366	1.319	50	20	DDGD	
O=C(NN=C1COc2c(Cl)cccc21)C(=O)N1CCCC1	814825060	WNRPNBZPWSQTFK-UHFFFAOYSA-N	307.737	1.175	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)c1cn(C)c2ccccc12)OC	811851604	KTOGWTVEHAYDTM-LLVKDONJSA-N	318.377	1.547	50	20	DDGD	
Cc1ccnc2nc(C(=O)NNc3cccc(Cl)n3)nn12	817012027	UYMOPEKCLVBJSZ-UHFFFAOYSA-N	303.713	1.238	50	20	DDGD	
COCC(=O)NN=C(C)c1cccc(OCCCC(=O)O)c1	814871471	SRMHHOSRHKSIIM-UHFFFAOYSA-N	308.334	1.417	50	20	DDGD	
COCCCNC(=O)NN=C1CC(C)(C)Oc2cc(O)ccc21	814819918	UMTYRJQYXODLMN-UHFFFAOYSA-N	321.377	1.993	50	20	DDGD	
CN(NC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1)C1CC1	819646665	DPOUNVNKZJEWHB-UHFFFAOYSA-N	318.345	1.351	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)Nc1ccc2c(c1)OCO2)C1CCC1	813574660	DOECVYDPKDKOBY-OAHLLOKOSA-N	321.333	1.119	50	20	DDGD	
COCC(=NNC(=O)COc1ccccc1O)C1CCOCC1	814951244	TWBJYEMGTZCBCL-UHFFFAOYSA-N	322.361	1.316	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)Cc2ccccc2F)n1C	811642428	QTYTUDLHWWWDRY-UHFFFAOYSA-N	303.341	1.318	50	20	DDGD	
C[C@H]1CC(=NNC(=O)CNC(=O)c2ccco2)CC[C@@H]1C(=O)O	814827089	UFXYANLEQRBKFC-ONGXEEELSA-N	321.333	1.002	50	20	DDGD	
COCC1(C(=O)NNc2cnnc3ccccc23)CCOCC1	810404211	JNBYZPWVXUGWTQ-UHFFFAOYSA-N	316.361	1.516	50	20	DDGD	
Nc1ncc2c(n1)CCCC2=NNC(=O)CNc1ccccc1	814712031	GHXLOWBJVBPSFV-UHFFFAOYSA-N	310.361	1.328	50	20	DDGD	
CN(C)c1ccc(NC(=O)NN=Cc2cnn(C)c2N)cc1	814856681	QITBGUIXFJTHNW-UHFFFAOYSA-N	301.354	1.224	50	20	DDGD	
CC(=O)N(C)CC(=O)NNC(=S)Nc1ccccc1C(C)C	727172985	OUROJDIJWSCXAT-UHFFFAOYSA-N	322.434	1.606	50	20	DDGD	
COc1cnc(C(=O)NNC(=O)C(C)(C)c2ccccc2)nc1	815538479	GZVCOQPIPHBWSU-UHFFFAOYSA-N	314.345	1.224	50	20	DDGD	
CC#CCN(C)CC(=O)NNC(=O)c1cc(Cl)ccc1OC	815285056	BMYSVRQSOBRQET-UHFFFAOYSA-N	323.780	1.065	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)C[C@@H]1CC[C@H]2C[C@H]12	825806214	ZWUWGVMHOLSHRU-SRVKXCTJSA-N	308.403	1.969	50	20	DDGD	
COCc1ccccc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	826164827	SFGFPARDDVXGPH-UHFFFAOYSA-N	324.344	1.770	50	20	DDGD	
Cc1cc(NNC(=O)c2nn(C)c3c2CCCC3)nc(C)n1	825945033	IGMWYJLTNSBCMU-UHFFFAOYSA-N	300.366	1.463	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccc2c(c1)OCO2	727270389	KQPVJHYXBASNKU-UHFFFAOYSA-N	307.375	1.324	50	20	DDGD	
CCCC[C@@H]1CCCC1=NNC(=O)N[C@H]1CCS(=O)(=O)C1	727256355	YOOLOAVSHWTWKZ-NEPJUHHUSA-N	315.439	1.819	50	20	DDGD	
CC[C@H](C)n1ncc(NC(=O)C(=O)NNC(=O)OC)c1C1CC1	495327164	VSXALKRKTINPMX-QMMMGPOBSA-N	323.353	1.057	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cc2c(cc1OC)C[C@H](C)O2	490587760	ITHAZSPLRTYYJF-ODYDIQAQSA-N	316.357	1.688	50	20	DDGD	
COc1cc(C(=O)NN(C)[C@H](C)CO)ccc1OC1CCCC1	823970900	MSSDYFDPLLVFCK-GFCCVEGCSA-N	322.405	1.974	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C/c1ccc(-c2nn[nH]n2)cc1F	821065190	GQSWZJGOGHQPSY-KPKJPENVSA-N	314.324	1.829	50	20	DDGD	
CCOc1cn(-c2ccccc2)nc1C(=O)NN(C)C(=O)OC	495693069	LPRBAAQKDWQHOO-UHFFFAOYSA-N	318.333	1.614	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)Nc2c[nH]c(C(N)=O)c2)cc(C#N)n1C	490724848	BPJKRGPYRUKKRX-QDEBKDIKSA-N	322.328	1.178	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NN(C)[C@@H](C)CO)cc1OC	823934537	HIWSSGQYDVLJNF-RYUDHWBXSA-N	310.394	1.226	50	20	DDGD	
CCS(=O)(=O)c1c(Cl)cccc1/C=C(/C#N)C(=O)NC	490872549	BYTXAKAQSIJTEJ-YFHOEESVSA-N	312.778	1.787	50	20	DDGD	
C[C@H](C(=O)NN(C)[C@H](C)CO)c1ccc(Br)cc1	823940559	ZMWNTJCXHGEECR-ZJUUUORDSA-N	315.211	1.896	50	20	DDGD	
CCOC(=O)N1CSC[C@@H]1C(=O)NN[C@@H](C)C(F)(F)F	826943146	VCLMIJNDHWGJTB-NKWVEPMBSA-N	315.317	1.089	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1csc(Cc2ccccc2)n1	823970944	NDZHYQQPCMYTBW-NSHDSACASA-N	305.403	1.691	50	20	DDGD	
CSSCCNC(=O)CCN1C(=O)C(C)=C(C)C1=O	908072353	RGBBOSHZRYYMMT-UHFFFAOYSA-N	302.421	1.209	50	20	DDGD	
COC(=O)N(C)N=C1CCCc2ccc(S(N)(=O)=O)cc21	496001853	KYMNRAQCYBSOQB-UHFFFAOYSA-N	311.363	1.073	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C	495959132	ZAFJEPIWVMLSBG-ZJUUUORDSA-N	316.402	1.275	50	20	DDGD	
CC1(C)C[C@H](NCc2ccc(B(O)O)o2)c2cc(F)ccc2O1	585045585	JGRBARXDSOMIID-ZDUSSCGKSA-N	319.141	1.491	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)Cc1ccccc1O	732305260	FWGFQRZFUJCXQN-UHFFFAOYSA-N	320.370	1.482	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(COc2ccc(F)cc2)o1	823977239	RLQXSAOFUTZJES-LLVKDONJSA-N	322.336	1.955	50	20	DDGD	
C[C@@H]1OC(=O)N[C@@H]1C(=O)NNc1ccc(Cl)cc1Cl	497083154	PVWFNYCXMTWDDR-CDUCUWFYSA-N	304.133	1.933	50	20	DDGD	
C[C@H](Oc1ccccc1C(F)(F)F)C(=O)NN(C)[C@H](C)CO	823959818	QAJHKQMJGVOBSN-ZJUUUORDSA-N	320.311	1.817	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)c1cccc(C(=O)O)c1	738892223	CHRPCFQBZLTFDS-UHFFFAOYSA-N	305.315	1.225	50	20	DDGD	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCB(O)O	585053773	CMCZWYHHJSHSAY-UHFFFAOYSA-N	312.493	1.184	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12	495694099	XGBNBJHNOYKTKR-UHFFFAOYSA-N	304.262	1.486	50	20	DDGD	
O=C(N[C@H]1CC[C@H](Cc2ccccc2)C1)c1cccc(B(O)O)c1	584979070	KDKCXTCGKLONNL-QAPCUYQASA-N	323.201	1.508	50	20	DDGD	
COC(=O)c1coc(/C=C(/C#N)C(=O)Nc2ccn(C)n2)c1	490906588	DLVUCWMPIGNHFL-UITAMQMPSA-N	300.274	1.345	50	20	DDGD	
COC(=O)NNC(=O)Nc1nnc(Cc2ccc(C)cc2)s1	491283493	ZCFHGXGGLPKRDI-UHFFFAOYSA-N	321.362	1.830	50	20	DDGD	
CSSCCNC(=O)N[C@H]1C[C@@H]2CCCCN2C1=O	836448925	ZKJNYAWUDORYNH-UWVGGRQHSA-N	303.453	1.450	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCc2coc(CC)n2)cc1	838697160	LIROLQMJNXYCIO-UHFFFAOYSA-N	316.361	1.944	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNC(=O)[C@H](CC)c1ccccc1	839677682	UTBDWBZZBAMKPD-KGLIPLIRSA-N	320.389	1.917	50	20	DDGD	
CS[C@H]1CCCC(=NNC(=O)CNC(=O)c2ccco2)C1	901182802	ZGHARNUYUGZDHP-NSHDSACASA-N	309.391	1.787	50	20	DDGD	
CSc1cc(C(=O)N2CC[C@@H](B(O)O)C2)ccc1NC(C)=O	585078487	ZSYYUUBOJPPNRB-LLVKDONJSA-N	322.195	1.056	50	20	DDGD	
CCCOc1ccc(C(=O)CNS(=O)(=O)CCl)cc1	831116050	UQDMVDPBKBKPRL-UHFFFAOYSA-N	305.783	1.774	50	20	DDGD	
CN(C(=O)C1CC1)c1ccccc1C(=O)NNC(=O)C1CCC1	732140555	DBYRPFUAHOXSEG-UHFFFAOYSA-N	315.373	1.621	50	20	DDGD	
OB(O)c1ccc(CNCc2ccccc2OC2CCC2)o1	585022969	DUFXEDMVYAXAOW-UHFFFAOYSA-N	301.151	1.181	50	20	DDGD	
C=CCONC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	838702892	YPUPUMUBAPSYDA-SECBINFHSA-N	309.391	1.935	50	20	DDGD	
Cc1cc(C(=O)NN(C)C(N)=O)cc(C(=O)OC(C)(C)C)c1	837508416	KFZQHHHJKWPUOU-UHFFFAOYSA-N	307.350	1.606	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc([N+](=O)[O-])cc1	831677757	IHDVRKZIEPGLCR-KCJUWKMLSA-N	308.294	1.173	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1)c1ncon1	832830113	HZZDYCKNFQOGCD-OLZOCXBDSA-N	314.345	1.490	50	20	DDGD	
CCCOc1ccc(CNCc2ccc(B(O)O)cc2)c(C)c1	585038265	YIONZQXDGJUAQJ-UHFFFAOYSA-N	313.206	1.753	50	20	DDGD	
CC(C)CCn1nccc1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	831700519	IPUSXCNPDJEGKH-NWDGAFQWSA-N	323.397	1.507	50	20	DDGD	
CCc1nc(C(=O)NNc2cc(C)ncn2)nn1-c1ccccc1	735520478	LHTGCNYYPHHSEM-UHFFFAOYSA-N	323.360	1.685	50	20	DDGD	
CC[C@H]1C[C@@H](C)CN1CC(=O)NNC(=O)c1ccc(F)cc1	839506359	YQGATDDIKOOYGX-RISCZKNCSA-N	307.369	1.707	50	20	DDGD	
CC(C)(O)c1ccc(CNCc2ccc(B(O)O)cc2F)cc1	585036696	OSTLQSNWPBIZEM-UHFFFAOYSA-N	317.169	1.023	50	20	DDGD	
C[C@H](NC(=O)NNc1ccncn1)c1nc(C(C)(C)C)no1	836428068	DEYRVDDHVDRYSL-QMMMGPOBSA-N	305.342	1.544	50	20	DDGD	
NC(=O)c1ccc(C=NNC(=O)COCc2ccccc2)cc1	737437487	VIJNFGHKIACEAU-UHFFFAOYSA-N	311.341	1.452	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cnn(C)c1)c1cccs1	735416851	JKGRLYFGSROIHG-QMMMGPOBSA-N	309.420	1.352	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)COc2cccc(C=O)c2)cc1	733257210	URWPIZKEZLESKC-UHFFFAOYSA-N	323.308	1.211	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2ccc(O)c(O)c2O)ccn1	731561927	DEGQBOKWAGNUBQ-UHFFFAOYSA-N	316.317	1.028	50	20	DDGD	
C[C@H]1CCC[C@@H]([C@H](C)NC(=O)c2cc(B(O)O)ccc2F)C1	584999083	IOAWZTKIGUGCRR-SDDRHHMPSA-N	307.174	1.450	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H](F)C(F)(F)F)ccc1F	837037984	XXLLAHUJEGOUJR-QMMMGPOBSA-N	312.194	1.956	50	20	DDGD	
O=C(CCc1nc2ccccc2o1)NNC(=O)[C@H]1CCCCO1	833262915	ZONIBLIGXKSIMT-CYBMUJFWSA-N	317.345	1.477	50	20	DDGD	
CCN1CCC(=NNC(=O)Cn2cnc3ccccc32)[C@@H](C)C1	741455911	NLRFDTQPTKSDIZ-ZDUSSCGKSA-N	313.405	1.870	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)/C=C\c1ccc(Cl)nc1	843658658	FJWDJSXJERBRIY-CNDXBVBGSA-N	309.753	1.321	50	20	DDGD	
CNC(=O)NCCNC(=O)CCCC[C@@H]1CCSS1	910904748	GZUUDZRJQNTWPT-SNVBAGLBSA-N	305.469	1.746	50	20	DDGD	
CNc1ccc(Cl)c(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	844147984	YUIOJLLRVOTUTR-WCBMZHEXSA-N	311.769	1.568	50	20	DDGD	
COc1cc(Br)ccc1C(=O)NNC(=O)C(C)C	748697884	YRCURJBPXMXQQN-UHFFFAOYSA-N	315.167	1.875	50	20	DDGD	
Cc1c(NNC(=O)NCCC2CCNCC2)cccc1[N+](=O)[O-]	846211422	VGHYNJFNUOEULR-UHFFFAOYSA-N	321.381	1.919	50	20	DDGD	
COCCOCCNC(=O)NNc1ccc(Cl)cc1C	914203406	IQTCCJJEVHSEEO-UHFFFAOYSA-N	301.774	1.938	50	20	DDGD	
C[C@H]1CCCc2ncc(C(=O)NNC(=O)c3ccccc3O)n21	846627857	IQBWPKKEZJRBRP-JTQLQIEISA-N	314.345	1.561	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNC(=O)c1cc2c(s1)CCC2	845083281	MOXXNIFIUZVGNO-UHFFFAOYSA-N	323.418	1.160	50	20	DDGD	
NC1(CNC(=O)NNC(=O)c2ccc3ccccc3n2)CCC1	841966931	IVFKLQHTMYKSDU-UHFFFAOYSA-N	313.361	1.060	50	20	DDGD	
O=C(NC[C@@H]1CCCN1)NNc1cccc(Br)n1	841937201	PAHSHVNKJMOTBL-QMMMGPOBSA-N	314.187	1.222	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C1CCN([C@@H]2CCSC2)CC1	847345579	KLCLLKATMVWFPV-GFCCVEGCSA-N	313.467	1.397	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCOC[C@H]1c1ccccc1	744425336	DUILYGPBRFNHQG-AWEZNQCLSA-N	319.405	1.253	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)[C@H](C)Oc2ccccc2F)[C@H]1OC	841612224	FTUXGPARXSGJJJ-COLVAYQJSA-N	324.352	1.889	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C	847427467	VJRHFHZTCLTSHY-VIFPVBQESA-N	317.386	1.703	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC(C)C)ccc1N1CCOCC1	843760175	YTGGJKNRAARWRE-UHFFFAOYSA-N	319.405	1.639	50	20	DDGD	
CC1CCN(C[C@H](C)C(=O)NN=C2C[C@@H](C)n3ncnc32)CC1	841614455	LSWZCULFEKQTDU-QWHCGFSZSA-N	318.425	1.431	50	20	DDGD	
O=C(NNc1ccccc1Cc1ccccc1)[C@@]1(O)CCOC1	846461246	LJJMQJDFJYQLRY-GOSISDBHSA-N	312.369	1.872	50	20	DDGD	
O=C(NNc1cccnn1)[C@@H]1CCO[C@@H](c2ccccc2)O1	847717059	YGVIXDKVPNBJQR-SWLSCSKDSA-N	300.318	1.424	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)o1	746780672	IXDSAIZPASPACW-UHFFFAOYSA-N	321.720	1.036	50	20	DDGD	
CCSCc1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)no1	843660004	VHDFIECMCNKERX-SCZZXKLOSA-N	313.379	1.114	50	20	DDGD	
C[C@H](OCC1CC1)C(=O)NNc1cc(O)nc2ncccc12	913994800	UTOSLIMPOKRQEL-VIFPVBQESA-N	302.334	1.594	50	20	DDGD	
O=C(O)NNC(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1	740002699	ZVGOIKLJHBARIL-SECBINFHSA-N	313.285	1.688	50	20	DDGD	
CSc1ccccc1NC(=O)NN(C)C(=O)N1CCNCC1	841006053	AAFLESUBZZPQRP-UHFFFAOYSA-N	323.422	1.402	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccccc1NC(=O)OC(C)(C)C	747831707	RHTQAIUXZWGKGM-UHFFFAOYSA-N	322.365	1.998	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1cccc(C(F)(F)F)c1	744824381	ZBVQPGRYHGWAAR-UHFFFAOYSA-N	313.279	1.824	50	20	DDGD	
O=C(NCCCc1nc[nH]n1)NNc1ccc(Cl)c(F)c1	923141144	CJTWOVOZSNQYLT-UHFFFAOYSA-N	312.736	1.856	50	20	DDGD	
COc1cc(C=NNC(=O)NCC2CC2)cc([N+](=O)[O-])c1O	920829168	NKGPUSMUXBLJPR-UHFFFAOYSA-N	308.294	1.352	50	20	DDGD	
COC(=O)Nc1ccc(C(=O)NNC(=O)C(C)C)c(Cl)c1	929288089	PEDYWQQYHNAGDL-UHFFFAOYSA-N	313.741	1.935	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCc1ccc(Cl)cc1	843647399	YQOHVSRUYXQIDY-GXFFZTMASA-N	310.781	1.845	50	20	DDGD	
CCc1noc(COCC(=O)OC[C@H](C)CBr)n1	923717518	MRQNDHCJSXJZMH-MRVPVSSYSA-N	321.171	1.723	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=S)N[C@@H](C)C2CC2)n(C)c1	855102676	MBLWKJUXGXCAOC-QMMMGPOBSA-N	308.407	1.135	50	20	DDGD	
CCc1nncn1CCNC(=O)NNc1cc(F)ccc1C	853802568	ZVGQROOEVJTJFE-UHFFFAOYSA-N	306.345	1.614	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2cn(C)nc2C)cc1C	755600023	DRJAEKHQQPKATC-UHFFFAOYSA-N	313.361	1.434	50	20	DDGD	
CCC[C@H](C(=O)NNc1ccc(C(C)C)cc1)S(N)(=O)=O	854884323	FXIYORJRUHKBAO-CYBMUJFWSA-N	313.423	1.710	50	20	DDGD	
CCCC[C@](C)(F)C(=O)NNC(=O)[C@H]1COc2ccccc2O1	854180878	QILCZXUXZCVKGW-CJNGLKHVSA-N	324.352	1.892	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H](O)CN1C[C@@H](CBr)C1CC1	859135066	UOVBZTUWORIXJM-MXWKQRLJSA-N	306.200	1.016	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1c(F)cc(F)cc1F)[C@H]1CCCO1	922047683	ZLPBQARXKCEVNS-VXGBXAGGSA-N	313.279	1.911	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)[C@@H]1C	858158689	OXHHAQGFCNGATC-NWJSVONSSA-N	319.405	1.573	50	20	DDGD	
CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)C2CCC2)C1	750297640	TUGAWPRWBMXUBG-ZSMADZGOSA-N	315.439	1.197	50	20	DDGD	
CC(C)(C)C(=O)NCCC(=O)NC[C@]1(C)C[C@H]1Br	857689803	NJWGXECQFRJHHT-RNCFNFMXSA-N	319.243	1.829	50	20	DDGD	
Cc1ccc(C)n1-c1c(C(=O)NNC(=O)C(C)C)cnn1C	920422027	PRWNPRPEVSGRTM-UHFFFAOYSA-N	303.366	1.245	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)Nc1nc2c(s1)CCC2	920929362	NRKDTQNREWPRJR-UHFFFAOYSA-N	318.358	1.804	50	20	DDGD	
CC[C@@H]1C[C@H](C)CN1CC(=O)NNC(=O)c1cccc(C#N)c1	756545160	QJVNHBICDWNSOZ-SWLSCSKDSA-N	314.389	1.440	50	20	DDGD	
C#CCNC(=S)NNC(=O)c1cc(-c2ccc(C)cc2)[nH]n1	758189391	CLTSBUCQYLYKDE-UHFFFAOYSA-N	313.386	1.127	50	20	DDGD	
Cc1ccc(NNC(=O)[C@]23CCC(=O)N2CCS3)cc1F	856230864	FZWCCFJAILNQDX-CQSZACIVSA-N	309.366	1.643	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1ccc2c(c1)OCO2)n1ccnc1	920397214	YPYHVVXNMBXUPR-SNVBAGLBSA-N	316.317	1.024	50	20	DDGD	
C#CCCCC(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	759176833	ULVRSSYSEVLQON-UHFFFAOYSA-N	302.330	1.103	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCC1CC2(C1)OCCO2	927072717	DRQUZYKDHPFXCQ-UHFFFAOYSA-N	319.361	1.092	50	20	DDGD	
CNc1ncnc2cc(C(=O)NNC(=O)OC(C)(C)C)ccc12	854164068	RBYBAOHATVQEFM-UHFFFAOYSA-N	317.349	1.841	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)NCCC1CCC1	755084713	HLVGYORYXGBNIX-UHFFFAOYSA-N	321.377	1.595	50	20	DDGD	
C/C=C/C(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	854331586	VGMTUGAXCMTGMC-ZRQQLDRUSA-N	311.382	1.357	50	20	DDGD	
Cc1nnc(NNC(=O)c2ccc(OC(C)(C)C)cc2)nc1O	751059714	FEAKFCAQRPVCHF-UHFFFAOYSA-N	317.349	1.820	50	20	DDGD	
CCc1cccc(C(=O)NNC(=O)OCC(F)(F)F)c1O	856021297	CWAXTRUCAMNYOP-UHFFFAOYSA-N	306.240	1.888	50	20	DDGD	
CCC1(CC)C(=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)C[C@H]1OC	853388795	OFCYNOSFYZHJJG-VNHYZAJKSA-N	323.437	1.547	50	20	DDGD	
C/C(=C\C(=O)NNC(=S)N[C@@H](C)C1CC1)c1cnccn1	855094377	ATUXNKMCMYFEDM-PCYYEKQGSA-N	305.407	1.174	50	20	DDGD	
CNS(=O)(=O)[C@H]1CCN(/C(=C\C#N)c2ccc(F)cc2)C1	750201379	IWDOJNUZEXIKOH-LNYFCXHSSA-N	309.366	1.314	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1	755966069	VNXYNLYJDQPSNX-ZDUSSCGKSA-N	307.350	1.807	50	20	DDGD	
C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NNc1ccc(Cl)nc1	757796821	UMZIAMOQKSGGDW-CABZTGNLSA-N	309.801	1.844	50	20	DDGD	
COc1ccccc1[C@@H](C)N(CC(=O)NNC(=O)C(C)C)OC	932541085	JXTDACJDLJTOGI-GFCCVEGCSA-N	323.393	1.423	50	20	DDGD	
CC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)c1ccnn1C	765994994	MXNBDPRUHIZRLJ-UHFFFAOYSA-N	302.294	1.065	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCC(=O)C2CCCC2)cc(C#N)n1C	863061674	WEFAHUFFMFJQKZ-VIZOYTHASA-N	324.384	1.988	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc(Cl)c[nH]1	768740449	XYLLLIDWELZVGU-UHFFFAOYSA-N	304.803	1.156	50	20	DDGD	
COc1ccc2c(c1)C(C)(C)CC2=NNC(=O)[C@@H]1CCC(=O)N1	863153190	OOPDISYVXWWSEW-ZDUSSCGKSA-N	315.373	1.475	50	20	DDGD	
COCC(=O)NN=C(C)c1ccc(NC(=O)NC2CC2)cc1	761826045	ZPXHEQTYGNEUHG-UHFFFAOYSA-N	304.350	1.457	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])CCN1	760377747	IVHVDFAZDJTQTG-SSDOTTSWSA-N	312.713	1.218	50	20	DDGD	
COCCOCC(=O)NNC(=O)Cc1csc2ccccc12	869909062	HOTIIFOQRXLXNU-UHFFFAOYSA-N	322.386	1.254	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)n1	862524805	VNQQHUOPNZIMSE-IUCAKERBSA-N	316.283	1.290	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)OC[C@@]1(C)C[C@H]1Br	1345267512	XJRIJRNQYXLQGO-KBVBSXBZSA-N	304.184	1.714	50	20	DDGD	
Cn1cc(Cl)c(C(=O)NNc2nccnc2C2CCC2)n1	861703133	GNXXBPVQQKQFJG-UHFFFAOYSA-N	306.757	1.888	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)c2cn[nH]c2)[C@H]1Oc1ccccc1	863153959	JIZWHVDYXJIMKQ-LSDHHAIUSA-N	314.345	1.752	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=CC[C@H]1CCOC1	765556942	QZQBZIPXKOKVIE-ZDUSSCGKSA-N	306.362	1.993	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCCc1ccncc1	762663117	IILNJCRMHLJUPJ-UHFFFAOYSA-N	312.373	1.587	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)[C@H]2CCOC2)cc1	762840717	SRYOWKWYAHNNLQ-JGWKKKPCSA-N	315.325	1.751	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=Cc1cnc(C2CC2)o1	863069462	CFRFTPGALLHEMK-UHFFFAOYSA-N	310.313	1.953	50	20	DDGD	
Cc1cc(C)c(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(Cl)c1	860280403	KJZZJYQLZDMJNR-JTQLQIEISA-N	324.768	1.388	50	20	DDGD	
O=C(CN1CCCCS1(=O)=O)NNc1ccc(Cl)cc1	879251472	KPILAMLWMNZGKL-UHFFFAOYSA-N	317.798	1.209	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cnc(Cl)c(OC)c1	767451199	QELIDCONBYDDEC-ZETCQYMHSA-N	321.786	1.099	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCc1nc2c(s1)CCCC2	875437343	NJPWJTMGJJSQGC-UHFFFAOYSA-N	312.395	1.477	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)C#Cc1ccc2c(c1)OCO2	761714128	YUGVRBLAQPMQFH-UHFFFAOYSA-N	322.320	1.536	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccnn1C[C@@H]1CCOC1	1116678542	UPIDNSJKECDYRC-NSHDSACASA-N	309.370	1.118	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNC(=S)Nc1ccc(C)c(C)c1	873765670	WBAQREMJXCXRCZ-LLVKDONJSA-N	322.434	1.536	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNC(=O)C2CCOCC2)cc1C	879050622	PNROZURDVSTBGN-UHFFFAOYSA-N	319.361	1.777	50	20	DDGD	
CCC(=O)N1CCC(=NNC(=O)c2ccc(OC)cc2)CC1	1115920457	JPZUECIIVDCVOZ-UHFFFAOYSA-N	303.362	1.813	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=C2CCCOCC2)c1	770595675	HACQHRYHANOOFI-UHFFFAOYSA-N	310.375	1.376	50	20	DDGD	
CC(=NNC(=O)CO)c1ccc(N2CCOCC2)cc1Cl	776782732	UOFFXFIZJKRMIS-UHFFFAOYSA-N	311.769	1.009	50	20	DDGD	
Cc1cccc(NNC(=O)NCc2ncnn2C(C)(C)C)n1	875561372	OGLMNHIIDDYVKZ-UHFFFAOYSA-N	303.370	1.563	50	20	DDGD	
Cc1ccccc1NC(=O)C(=O)NNc1nccnc1C(C)C	773992563	QZDFTWIUXYIIOS-UHFFFAOYSA-N	313.361	1.990	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1	878308267	YRMNPGGRSBGQLY-HNNXBMFYSA-N	323.393	1.859	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C1(O)CCC1	773000186	YSGAMGFIRBEOFU-SECBINFHSA-N	312.753	1.170	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(C)n([C@@H](C)C2CC2)n1	777372276	QTKVDYRQYSNQRS-NSHDSACASA-N	307.398	1.907	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@]1(O)CCOC1	873853381	UMIRXJXDDINASU-HNNXBMFYSA-N	323.418	1.026	50	20	DDGD	
CCCc1nccn1CC(=O)NNC(=O)c1ccc(Cl)cc1	770455719	FBWHFMGSLLNFNA-UHFFFAOYSA-N	320.780	1.950	50	20	DDGD	
COCCOc1ccc(F)cc1NC(=O)NNc1cnccn1	770000178	QTLSRNRQOCTQLM-UHFFFAOYSA-N	321.312	1.790	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCC1CCN(C2CC2)CC1	775204917	TZUGJZLVUJQRAQ-UHFFFAOYSA-N	322.331	1.144	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)N[C@H]1CCCCC12CCCC2	883659567	LSKJSTITYZMTQY-ZDUSSCGKSA-N	317.393	1.924	50	20	DDGD	
COCc1ccc(NC(=O)C(=O)NNC(=O)C2CCCC2)cc1	773532406	IBPAJAPMHXTZGE-UHFFFAOYSA-N	319.361	1.109	50	20	DDGD	
COc1ccnc(NNC(=O)NCCc2cnc(C)s2)n1	772632329	PPHBRWUJMGCEAZ-UHFFFAOYSA-N	308.367	1.119	50	20	DDGD	
C[C@@H](c1ccccc1)[C@@H](C)NC(=O)NNC(=O)C1CCOCC1	883489956	YXOZJVYMMSZSIG-CHWSQXEVSA-N	319.405	1.936	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1CNC(=O)NNC(=O)C1CCOCC1	883672621	LDRMJDWHICCVSL-GXTWGEPZSA-N	311.426	1.960	50	20	DDGD	
CC(C)c1ncc(CN(C)S(=O)(=O)CCCCl)cn1	882157976	NRCXYLGUVCOHJT-UHFFFAOYSA-N	305.831	1.991	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCC(=O)NC(=O)Nc1ccccc1	786680013	UGVZONXIZNVDHG-XYOKQWHBSA-N	313.313	1.738	50	20	DDGD	
N#C/C(=C\c1ccccc1)C(=O)OCCCN1C(=O)CNC1=O	785363664	LDLCWVFVOMIDRS-UKTHLTGXSA-N	313.313	1.079	50	20	DDGD	
O=C(NNc1ncncc1Cl)N[C@@H]1CCC[C@@H]2OCC[C@H]21	781002655	JKLMWFVAKVNARV-GDPRMGEGSA-N	311.773	1.714	50	20	DDGD	
CC1(C)C[C@@H](C(=O)NNC(=O)c2ccc(Cl)nc2)CCO1	1120676002	QNNBQQPBLDOFKN-VIFPVBQESA-N	311.769	1.701	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H](NC2CCOCC2)C(C)C)n1	780767834	AHUBDTUOQXTBHW-HNNXBMFYSA-N	322.409	1.327	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCCCS2)cc1OC	783032887	AGHSWSASHLWTCA-CYBMUJFWSA-N	324.402	1.751	50	20	DDGD	
CCN(CC)C(=O)N1CCC(C(=O)NN=c2cc[nH]cc2)CC1	780759890	PKFSLIKPZXMUNT-UHFFFAOYSA-N	319.409	1.120	50	20	DDGD	
O=S(=O)(CBr)Oc1ccc2nccnc2c1	782475958	PVPCEWKZVBCSIG-UHFFFAOYSA-N	303.137	1.691	50	20	DDGD	
CCc1cccc2c1N(C(=O)C(=O)NNc1cccnn1)CC2	784862918	ODNHADKMRAEPKF-UHFFFAOYSA-N	311.345	1.071	50	20	DDGD	
O=C(CN1C(=O)COc2ccccc21)NNc1ccnc(F)c1	781365573	WOTWHSNKHWDMLV-UHFFFAOYSA-N	316.292	1.089	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)NC1CCCCC1	794764036	POFKORDARNOEJJ-ZDUSSCGKSA-N	310.398	1.051	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1cnc2[nH]nnc2c1	798311102	FMSVZDNHWGRPFD-UHFFFAOYSA-N	311.305	1.128	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@]1(O)CCc2ccccc2C1	899997205	KXCNJYPEMHJIRE-MRXNPFEDSA-N	321.446	1.200	50	20	DDGD	
CCc1occc1C(=O)NNC(=O)Cc1cn2ccccc2n1	797461282	JNMGGBWISRXNKQ-UHFFFAOYSA-N	312.329	1.493	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cc(F)cc([N+](=O)[O-])c1	791243759	VPSPKLGIMHQWBN-UHFFFAOYSA-N	316.252	1.534	50	20	DDGD	
NC(=O)C(=O)NN=CC(c1ccc(F)cc1)c1ccc(F)cc1	799865818	YJWGGUUFHYYBDF-UHFFFAOYSA-N	317.295	1.684	50	20	DDGD	
CC(C)(C=NNC(=O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	1323000026	XILCRRHWPDWIAD-UHFFFAOYSA-N	313.335	1.134	50	20	DDGD	
COC(=O)C(=O)NN=C1CC[C@H](c2ccccc2)C[C@@H]1OC	1324474479	WWXWQVUDEYYJDJ-JSGCOSHPSA-N	304.346	1.614	50	20	DDGD	
O=C(Cn1cc(C(F)(F)F)ccc1=O)NCC(Cl)Cl	1324276161	LWOOMJBJCCTJNM-UHFFFAOYSA-N	317.094	1.787	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)CCN2CCC(C)CC2)n1	1328090986	KLVUUDHQQAYFDG-UHFFFAOYSA-N	306.414	1.179	50	20	DDGD	
CC(C)OCC(=O)NNC(=O)c1ccc(Br)cc1	1324231072	NCYQJKCFPMXILK-UHFFFAOYSA-N	315.167	1.635	50	20	DDGD	
Cc1cc(C(=O)NNc2ccn(C)n2)ccc1N1CCOCC1	1332506799	IXKQIGOOWWOAOQ-UHFFFAOYSA-N	315.377	1.322	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@H]1CCC[C@H]1OC	1335949451	CYFKYWMEVIBHPE-NWDGAFQWSA-N	322.361	1.037	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2C[C@@H](OC)C2(C)C)cc1	1331680749	NHCZSCJTGHSSPS-CHWSQXEVSA-N	321.377	1.453	50	20	DDGD	
CC[C@H](NNC(=O)c1cncn1-c1ccccc1)C(=O)OC	1339515760	HCKSGHUEQRTLPJ-LBPRGKRZSA-N	302.334	1.058	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2ccc(C)c(O)c2)nn1C	1336922685	MMEPERPUWUXSMR-UHFFFAOYSA-N	302.334	1.071	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)N[C@@H]2CCN(C3CC3)C2)nn1	1339258066	GNBQUUGEODFXRZ-LLVKDONJSA-N	318.425	1.637	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1ccc(F)c(CC)c1	1338669634	ZMRWFFNIPFNKCC-UHFFFAOYSA-N	319.336	1.278	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCc1ccc2c(c1)CCO2	1346094559	ZMLMHIRXLQPPTB-SMDDNHRTSA-N	318.373	1.127	50	20	DDGD	
C[C@]1(Cn2nnnc2N2CC[C@H](F)C2)C[C@H]1Br	1344955467	KXHWNKNCEANRND-QXFUBDJGSA-N	304.167	1.395	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=Cc1cc(O)cc(C(F)(F)F)c1	1261207919	WUVOTFLMGMFMGL-UHFFFAOYSA-O	324.282	1.849	50	20	DDGD	
C[C@H](NNC(=O)c1ccoc1C1(O)CCOCC1)C(F)(F)F	1348478303	GRFDGCJUWAGPAL-QMMMGPOBSA-N	322.283	1.463	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H]2CCCO2)cc(C)c1OCC(=O)O	1600184961	ALPWOCIGDUAWEJ-CYBMUJFWSA-N	320.345	1.396	50	20	DDGD	
Cn1c(C(=O)O)ccc1C(=O)NNc1ccc([N+](=O)[O-])cc1	1600904084	PUKRWPWNCLHXBI-UHFFFAOYSA-N	304.262	1.388	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)Nc2ccnc(C(=O)O)c2)c1	1605381384	NYPSTIISZOKJBZ-UHFFFAOYSA-N	320.330	1.616	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccccc1CC(=O)O	1604911849	HQXGMZURUDHSFD-UHFFFAOYSA-N	317.305	1.261	50	20	DDGD	
COC1CC(C(=O)N(c2nc(CC(=O)O)cs2)N(C)C)C1	1606722481	KFNNSFLCSLDLAF-UHFFFAOYSA-N	313.379	1.005	50	20	DDGD	
Cc1nccnc1[C@@H](C)NC(=O)NNc1cccc(C(=O)O)c1	1600756536	ZXDRDGBIZDWLPQ-SNVBAGLBSA-N	315.333	1.871	50	20	DDGD	
Cc1cc(OS(=O)(=O)CBr)ccc1C(=O)O	1600291507	CNJDNQIWFVOIKF-UHFFFAOYSA-N	309.137	1.754	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C[C@@H](C)CC(=O)O)c1	1600389665	NSEDDNHUNVGAIW-LLVKDONJSA-N	322.361	1.331	50	20	DDGD	
CC(C)(CNC(=O)NNc1ncc(F)cc1F)CC(=O)O	1603632670	XOTNFSVOASJGON-UHFFFAOYSA-N	302.281	1.487	50	20	DDGD	
C[C@H](C=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1ccc(F)cc1	1549321476	SULGZHBCPUSUFC-DAXOMENPSA-N	319.380	1.894	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)c1ccc(C(=O)O)cc1F	1610564971	QZMXUSMPAFNZAH-UHFFFAOYSA-N	323.305	1.364	50	20	DDGD	
O=C(NNC(=O)C12CCC(C(=O)O)(CC1)CC2)c1ccncc1	1610699762	CXELZLJGQSZNJK-UHFFFAOYSA-N	317.345	1.268	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)c1ccc2c(n1)CNCC2	1579708495	WQQVBTMNDFUEAO-UHFFFAOYSA-N	300.337	1.932	50	20	DDGD	
CN[C@@H](C)C(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C	1578751110	JIDAHPBNUOSRLT-LBPRGKRZSA-N	314.389	1.463	50	20	DDGD	
C=C(CBr)CN1C[C@@H](C(=O)OC)CC[C@H]1C(=O)O	1588605346	HTODWHGLPCWYQT-UWVGGRQHSA-N	320.183	1.276	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNc1ccc(C(=O)O)cc1F	1589690770	ATDCEKVRTLHMCJ-UHFFFAOYSA-N	311.313	1.129	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2C[C@H]2N1)c1cc2c(s1)CCCCC2	1580736145	MEZMSKJYKYZKNO-UTUOFQBUSA-N	319.430	1.528	50	20	DDGD	
COCC(=O)N1CCCC12CN(C(=O)[C@@](C)(Cl)CCl)C2	1842690552	BHPUMTOHSNOVKP-LBPRGKRZSA-N	323.220	1.073	50	20	DDGD	
Nc1ccc(C(=O)NNC(=O)c2ccc3ccccc3n2)cn1	1580439371	FAEQMMLJTZRQEZ-UHFFFAOYSA-N	307.313	1.287	50	20	DDGD	
O=C(c1cnco1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843362123	DAYFLHREMAQPOP-VIFPVBQESA-N	301.705	1.026	50	20	DDGD	
C=CCCCCCNC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1588595982	CQPSKNFETRWPHP-UHFFFAOYSA-N	316.369	1.634	50	20	DDGD	
CCO/C=C/C(=O)N1CC2(CCCN2C(=O)[C@@H](Cl)CC)C1	1845168298	XYJWNKBLWFILJO-LZGFCCKTSA-N	314.813	1.757	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@H]1C(=O)NNc1ccc(CC(=O)O)cc1	1594196062	FZAVUWDDWVQIGI-QMTHXVAHSA-N	304.346	1.762	50	20	DDGD	
CC1(CNC(=O)NNc2ccc(-c3nn[nH]n3)cn2)CCC1	1590132627	UDDRGHQCKKEQRS-UHFFFAOYSA-N	302.342	1.078	50	20	DDGD	
O=C(O)CCCCC(=O)NNc1cc(Br)ncn1	1595032786	VTYIENVCPKSPOC-UHFFFAOYSA-N	317.143	1.327	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc(C)c(C(=O)O)c2)n1	1599722228	DKRIUQHHPCMGAR-UHFFFAOYSA-N	317.305	1.640	50	20	DDGD	
Cn1cc(Cl)c(C=NNC(=O)Nc2ccc(C(=O)O)cc2)n1	1776046443	QHSJMLPQFQLTDA-UHFFFAOYSA-N	321.724	1.927	50	20	DDGD	
Cc1nsc(C=NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)c1C(=O)O	1776091010	NCNBODKELIPSPN-IWSPIJDZSA-N	309.347	1.167	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1c[nH]c2c(C(=O)O)cccc12	1776082472	SZUQRQNNRYXXNE-MWLCHTKSSA-N	315.329	1.741	50	20	DDGD	
N#Cc1ccc(C(=O)O)c(C=NNC(=O)[C@@H]2CCCS2)c1	1776082007	QRGFBHPGVGDUGM-LBPRGKRZSA-N	303.343	1.602	50	20	DDGD	
CC(C)C(=O)N1CCO[C@]2(CCN(C(=O)C(Cl)Cl)C2)C1	1783947669	XKKJIDFWDYHLLK-ZDUSSCGKSA-N	323.220	1.276	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC1(F)F)[C@@H](F)Cl	1797733157	ASJXYVKKKHNRJC-JDDHQFAOSA-N	324.730	1.814	50	20	DDGD	
COCCOc1cccc(CC(=O)NNc2cnccn2)c1	158414345	FSEMLKKDKYMMPP-UHFFFAOYSA-N	302.334	1.188	50	20	DDGD	
COC(=O)NNC(=O)[C@@H](C)Oc1ccccc1Br	158908442	BQCAYTKFBZLQNW-SSDOTTSWSA-N	317.139	1.604	50	20	DDGD	
CS[C@H](C)C(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	152284628	FTUKYUBSIJSUKD-SSDOTTSWSA-N	310.404	1.651	50	20	DDGD	
C[C@H](Sc1ccccn1)C(=O)NNC(=O)c1ccncc1	152034091	OHDFNDSNGBHGEQ-JTQLQIEISA-N	302.359	1.418	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)NNc2ncccc2[N+](=O)[O-])c1C	153273736	HTURIKXOAHEXQY-UHFFFAOYSA-N	317.305	1.894	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)Cc1ccc(O)cc1	153992775	JHUSEOUSXIMNPL-UHFFFAOYSA-N	324.340	1.352	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	862289867	ZDXZIWSUEHJXMC-MCIONIFRSA-N	304.346	1.854	50	20	DDGD	
CN(CC(=O)N=S(C)(C)=O)NC(=O)OCc1ccccc1	879028950	UIWKXBHMTZHTFZ-UHFFFAOYSA-N	313.379	1.014	50	20	DDGD	
Cc1ccc(NCCCNC(=O)NNc2ccc(C)nn2)nc1	106332244	GVELEAPWMKYCFK-UHFFFAOYSA-N	315.381	1.617	50	20	DDGD	
Cc1nn(-c2ccccc2)cc1C(=O)NNC(=O)c1cccnc1	102321731	CZALIBORLDSUER-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Cc1c(F)cccc1Cl	109859136	CCZDAJMMHKBPMJ-UHFFFAOYSA-N	310.716	1.514	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1c[nH]c2ccccc2c1=O	103198114	SJZBWKFUGVWPHI-UHFFFAOYSA-N	301.346	1.725	50	20	DDGD	
O=C(NNc1ncccn1)N[C@@H]1C[C@@H]1c1c(F)cccc1F	116562439	OLJMJPQERFZVGV-GZMMTYOYSA-N	305.288	1.937	50	20	DDGD	
CNC(=O)NNC(=O)CCCOc1cccc2ccccc12	56376438	UIRXFAJJBPGPOH-UHFFFAOYSA-N	301.346	1.959	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H](C(=O)NNC(=O)CC(C)(C)C)C2	103197373	XIINLUAREKSSJV-LBPRGKRZSA-N	320.389	1.830	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCN1CCCC1=O)c1ccccc1	110342439	XOLPNIDPZABDSG-CQSZACIVSA-N	317.389	1.340	50	20	DDGD	
Cc1cc2cc(C(=O)NNC(=O)c3cnn(C)c3)oc2cc1C	173560458	SABBJOSYSKBPGV-UHFFFAOYSA-N	312.329	1.858	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCNC(=O)OC(C)(C)C	64426030	WABKELWCKIPELU-UHFFFAOYSA-N	302.375	1.032	50	20	DDGD	
CC[C@H](C(=O)NNc1ccccc1[N+](=O)[O-])N1CCCC1=O	175183847	XLRNSAXWTCFFKM-LLVKDONJSA-N	306.322	1.439	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@H](c1ccccc1)N1CCCCC1=O	110671016	DWKKXXDEUKBFLX-AWEZNQCLSA-N	318.377	1.043	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNC(=O)Cc1ccccc1F	66775708	FHXAVMJSOIPUJO-UHFFFAOYSA-N	304.325	1.180	50	20	DDGD	
CC(C)c1nnc(CCC(=O)NNC(=O)c2ccccc2)o1	176397512	WQFLKGUXWSWKJH-UHFFFAOYSA-N	302.334	1.587	50	20	DDGD	
COc1csc(C(=O)NNC(=O)c2ccccc2OC)c1	176800749	VJHWZRMCKZLLQS-UHFFFAOYSA-N	306.343	1.840	50	20	DDGD	
CC(C)c1cccc(O[C@@H](C)C(=O)NNC(=O)CN(C)C)c1	170796949	ZYCXSKIICXYKCP-LBPRGKRZSA-N	307.394	1.286	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNC(=O)c1cccc(N(C)C)c1	68498977	UTNLRDMRLSQJCB-LBPRGKRZSA-N	307.394	1.719	50	20	DDGD	
O=C(NNc1cnccn1)[C@H]1CCCN1C(=O)c1ccccc1	172264936	YCJGOJRHWJRHRB-CYBMUJFWSA-N	311.345	1.225	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1ccc(N(CC)CC)cc1	171781627	JKQIRKUEQVGDEB-UHFFFAOYSA-N	322.409	1.400	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)CCc2ccoc2)cc1	177557011	PLNVRPLXTPGWHT-UHFFFAOYSA-N	313.313	1.310	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NOCc1ccccc1	171729826	ZDDSQPRVMAMSAJ-UHFFFAOYSA-N	300.318	1.086	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H](CC)OC)cc1	67812059	ZZGRHZVLGUPGBP-BXUZGUMPSA-N	324.377	1.425	50	20	DDGD	
O=C(NNc1cccnn1)c1cccc(OC[C@H]2CCCO2)c1	77034145	PCWXYZLSCWXLOI-CQSZACIVSA-N	314.345	1.791	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N[C@H]2CCCOCC2)cc1	183537632	PWIISMOHADNKRY-ZDUSSCGKSA-N	302.334	1.071	50	20	DDGD	
NC(=O)c1cccc(CNC(=O)NNc2ccc(Cl)nn2)c1	128107231	BXDKULHOKCNNDA-UHFFFAOYSA-N	320.740	1.055	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@H]1CCCc2ccccc21	125139353	ZKLUTBYMMCWNFC-KBPBESRZSA-N	303.362	1.573	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2ccc(C)o2)c1	73315277	QIAREKNJAUMYER-UHFFFAOYSA-N	303.318	1.470	50	20	DDGD	
C/C=C(\CC)C(=O)NNC(=O)COc1ccccc1OCC	189932522	SVERVSRLFTYGIF-UUILKARUSA-N	306.362	1.968	50	20	DDGD	
Cn1ccnc(NNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1=O	132523757	OLNHIWVNASIOFD-JHJVBQTASA-N	304.394	1.830	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)C(=O)N1CCCC1)c1ccccc1	79842190	OGXUOVZNHOZQLL-AWEZNQCLSA-N	317.389	1.196	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	133109866	XAIKIMRLCSWILC-GHMZBOCLSA-N	312.341	1.556	50	20	DDGD	
Cc1nc(-c2ccccc2)oc1C(=O)NNC(=O)C(C)(C)O	190052165	BHGVVZXBIHQMJG-UHFFFAOYSA-N	303.318	1.182	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1ccc2c(c1)CCCC2	45292956	PXCDTJFMEMKOLZ-UHFFFAOYSA-N	303.431	1.789	50	20	DDGD	
CCCC[C@@H](NC(N)=O)C(=O)NNc1ncnc2ccsc12	132869471	NYYNVBBVTPNOFT-SECBINFHSA-N	322.394	1.362	50	20	DDGD	
O=C(COc1ccc(Cl)cc1Cl)NNC(=O)NC1CC1	49129104	UIJYKWBRUDHRHC-UHFFFAOYSA-N	318.160	1.865	50	20	DDGD	
N#Cc1cccc(NNC(=O)NCC2CCS(=O)(=O)CC2)c1	130147967	YZIHSACCUGLIEB-UHFFFAOYSA-N	322.390	1.009	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCCC(F)F)cc1C	1346842218	BTYIZKSDTTUEGN-UHFFFAOYSA-N	315.320	1.668	50	20	DDGD	
Cc1ccc2c(c1)CC[C@@H]2NC(=O)NNC(=O)c1cnn(C)c1	265425865	QSFMLZOCSFMPCO-AWEZNQCLSA-N	313.361	1.360	50	20	DDGD	
O=C(NNC(=O)C1(c2ccccc2Cl)CCOCC1)C1CC1	264492127	XTEYGXLOWZMGJU-UHFFFAOYSA-N	322.792	1.946	50	20	DDGD	
C[C@H]1CCCC[C@H]1NC(=O)NNC(=O)COc1ccccc1O	264544667	BJSAJXHHPQRLBL-NWDGAFQWSA-N	321.377	1.680	50	20	DDGD	
CCCOc1cccc(NC(=O)C(=O)NNC(=O)C2CCC2)c1	274084522	MCFLZGCJJYWIKD-UHFFFAOYSA-N	319.361	1.361	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNC(=O)c1ccc(C)cc1O	270778757	SBPLEEGHZKAXFS-UHFFFAOYSA-N	308.334	1.051	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2cc(C)n[nH]2)cnn1C(C)(C)C	270687458	QRKZSUMNFDQNNN-UHFFFAOYSA-N	318.381	1.307	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CSC[C@@H]2CCCCO2)n1	279795824	LDYIUPLHGBUBIK-LBPRGKRZSA-N	323.418	1.453	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cn(C)nc1-c1ccccc1	271368941	IXZTVFAVGQSXDE-UHFFFAOYSA-N	300.362	1.894	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H](F)C(F)(F)F)cc1	278586018	JZHMVQVVSCTLNZ-SNVBAGLBSA-N	307.247	1.455	50	20	DDGD	
CC(=O)N[C@H](CC1CCC1)C(=O)NNc1ccc(C#N)cc1	279838815	LDCDKDIOVACKIB-OAHLLOKOSA-N	300.362	1.696	50	20	DDGD	
Cc1cnccc1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C(C)(C)C	277425268	NDKACZODRQUHDJ-AAEUAGOBSA-N	320.393	1.994	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](CC(=O)NNC(=O)c2cnn(C)c2)CCO1	273204833	OQECXXRZDRHVGW-AAEUAGOBSA-N	308.382	1.022	50	20	DDGD	
CSSCCNC(=O)CNC(=O)c1ccc(F)c(F)c1	284228528	VQANKKALTFPDHV-UHFFFAOYSA-N	320.386	1.822	50	20	DDGD	
CCC[C@H](C)CC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	282947377	TXULZOLMBOIGCZ-LBPRGKRZSA-N	305.378	1.907	50	20	DDGD	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1cccc(F)c1[N+](=O)[O-]	286947872	FOHYZGVLLSLOLU-JGVFFNPUSA-N	311.269	1.376	50	20	DDGD	
CSSCCNC(=O)NCc1nnc2n1CCCCC2	284139603	VAFAJYWQRWZGNP-UHFFFAOYSA-N	315.468	1.815	50	20	DDGD	
COC1(C(=O)NNc2cnc3ccccc3n2)CCOCC1	286147727	RRRHXURJIWMCHE-UHFFFAOYSA-N	302.334	1.269	50	20	DDGD	
O=C(CC1OCCCO1)NNC(=O)c1c[nH]c2ccccc12	280101856	BLDBOJNUGAYIDG-UHFFFAOYSA-N	303.318	1.082	50	20	DDGD	
CC(C)c1nn(C)cc1NC(=O)C(=O)NNc1cccc(F)n1	807390717	MADDSFSMDWDTKN-UHFFFAOYSA-N	320.328	1.159	50	20	DDGD	
Cc1c(CC(=O)NNc2cccc(C(F)(F)F)n2)cnn1C	294782046	AEEYUVAAIOTLEY-UHFFFAOYSA-N	313.283	1.828	50	20	DDGD	
C[C@@H](CCOc1ccccc1)C(=O)NNC(=O)[C@H]1CCCCO1	295672320	XCWRFYMBCJSZSK-DZGCQCFKSA-N	320.389	1.808	50	20	DDGD	
C[C@H]1C(=O)Nc2cc(C(=O)NCCCSC#N)ccc2N1C	808025250	FVPPKBIAGWSCKK-JTQLQIEISA-N	318.402	1.798	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNC(=O)CC2CCCC2)c1C	295285529	PTLNDPKCRQSMGA-UHFFFAOYSA-N	306.410	1.790	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccc(NCC2CC2)nc1	800693863	MLPPZOVKRQFVBZ-UHFFFAOYSA-N	302.313	1.590	50	20	DDGD	
CN(C)C(=O)c1cccc(C(=O)NNc2cccc(F)n2)c1	804769233	JECZFFYHFMQILL-UHFFFAOYSA-N	302.309	1.679	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)NCc1ccc(Cl)cc1	295300187	UWTFTIFCGIHPIQ-LBPRGKRZSA-N	313.785	1.986	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@H]2CC2(F)F)o1	294597227	QZOXFJUZFOOIQO-SNVBAGLBSA-N	315.320	1.538	50	20	DDGD	
CC(C)Oc1ccccc1C(=O)NNC(=O)N=c1cc[nH]cc1	802024760	VOSSKVQYZGOAGM-UHFFFAOYSA-N	314.345	1.757	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCC(=O)Nc1ccc(OCC)cc1	299212204	JPUQEECSWYSUQR-ZRDIBKRKSA-N	317.345	1.584	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1cc(OC)ccc1Cl	296175425	VCCQFQRXBUOPOU-UHFFFAOYSA-N	308.743	1.240	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@H]1CCC(=O)c2ccccc21	803394461	WAAYIGIDBINPQA-AWEZNQCLSA-N	324.340	1.417	50	20	DDGD	
Cc1ccn2c(=O)c(C(=O)NNc3ncccc3F)cnc2c1	804213881	FELDBGOWOSJCMF-UHFFFAOYSA-N	313.292	1.294	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc(Cl)c(Cl)n2C)O1	293946258	PSIPCLMKXOICJH-RCOVLWMOSA-N	320.176	1.660	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)NC[C@@H]2CCCCO2)c1	297428811	ZMMJSYYHBVOPDF-AWEZNQCLSA-N	306.366	1.840	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H](C)NC(=O)OCc1ccccc1	299324642	ZZDVYSDAJQSVTF-NSHDSACASA-N	322.365	1.040	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNC(=O)CCCc1ccccc1	294611353	OMTCWMBQFAPRSJ-CYBMUJFWSA-N	310.419	1.271	50	20	DDGD	
COc1ccc(NC(=O)NN=C2CC(=O)N3CCCC[C@H]23)cc1	814999562	DLWAKIDPKDYQKX-CQSZACIVSA-N	316.361	1.958	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)c1cccc(CO)c1	813438282	FTCGJBIEXPEXRD-UHFFFAOYSA-N	312.369	1.963	50	20	DDGD	
CN(C)c1cc(C(=O)NNc2cnccn2)nc2ccccc12	810406945	IYZAWAZOHWOCOT-UHFFFAOYSA-N	308.345	1.848	50	20	DDGD	
Cc1nn(CC(F)F)c(C)c1C(=O)NNC(=O)CC1CC1	819140963	SQTXWODGFCECRI-UHFFFAOYSA-N	300.309	1.326	50	20	DDGD	
CC(=NNC(=O)c1cc(Br)c[nH]1)c1csnn1	814780232	JRPBUNOJMFTLMB-UHFFFAOYSA-N	314.168	1.783	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2C[C@H](C)Cc3c[nH]nc32)n1	816837277	PQVBWSIXQPCCEM-PRHODGIISA-N	300.366	1.626	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NN=C1CCN(C(N)=O)CC1	812435179	ZRSPBAPSVJKGHV-SNVBAGLBSA-N	322.340	1.240	50	20	DDGD	
CCn1ccnc1C(=O)NNC(=O)CSc1ccccc1O	813502225	OWHOSHMFACIMDL-UHFFFAOYSA-N	320.374	1.162	50	20	DDGD	
CN(NC(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O)C1CC1	819648603	KLISPNVNUXIYAI-ZDUSSCGKSA-N	307.781	1.818	50	20	DDGD	
CC(C)=C(C)C(=O)NNc1ccccc1S(=O)(=O)N(C)C	817054274	BUWXEIXSHZCGRR-UHFFFAOYSA-N	311.407	1.736	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(C(F)(F)F)nc1Cl	816560103	DPTBXSNMUCPZDE-UHFFFAOYSA-N	311.691	1.977	50	20	DDGD	
CCN1CCC(=NNC(=O)COc2ccccc2O)[C@@H](C)C1	814951957	DYXACACTROCPGK-LBPRGKRZSA-N	305.378	1.605	50	20	DDGD	
C=C(C)C(C)(C)C(=O)NNC(=O)COc1ccc(C#N)cc1	819003241	BYUYGMGRWOMAPW-UHFFFAOYSA-N	301.346	1.687	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NN=Cc1c[nH]c(C(=O)O)c1	814750882	BZIZFMAMSXGMSQ-SECBINFHSA-N	319.292	1.770	50	20	DDGD	
O=C(NNc1ncncc1F)c1csc([C@H]2CCCO2)n1	817079674	ILJGJDILEOARTF-SECBINFHSA-N	309.326	1.681	50	20	DDGD	
C[C@H](C#N)Oc1ccc(C=NNC(=O)CN2CCCC2=O)cc1	727684554	ZZPWCLKBMMTQLU-GFCCVEGCSA-N	314.345	1.050	50	20	DDGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)CCN(C)C)cc1	726445863	SVSQRPGBMLDCHI-UHFFFAOYSA-N	324.450	1.743	50	20	DDGD	
O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccco1	726862334	JPHJSEHDRRRPDZ-UHFFFAOYSA-N	321.358	1.477	50	20	DDGD	
C#CCN(CC)CC(=O)NNC(=O)c1cc(C)c(CC)s1	490851854	IMJQRSDYOLANIW-UHFFFAOYSA-N	307.419	1.335	50	20	DDGD	
O=C(CCCc1ccccn1)NNc1ccc(-c2nn[nH]n2)cc1	826406626	GAJWTZROUVQTQT-UHFFFAOYSA-N	323.360	1.728	50	20	DDGD	
COCCCOc1cccc(C(=O)NN(C)[C@@H](C)CO)c1C	823384978	YVNNXBVKGKKULT-LBPRGKRZSA-N	310.394	1.368	50	20	DDGD	
COC/C(C)=C/C(=O)NNC(=S)NCCc1cccs1	820165226	SBGPAOGGMSIVJD-CSKARUKUSA-N	313.448	1.379	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1ccc(OCCN(C)C)cc1	727647735	FOBWUAPEJZMPAZ-UHFFFAOYSA-N	306.410	1.029	50	20	DDGD	
CCN(CCO)NC(=O)c1cn(CCOC)c2ccccc12	823853106	ZXOBHGAVHVIDQQ-UHFFFAOYSA-N	305.378	1.247	50	20	DDGD	
CN(C)CCN(C(=O)/C(C#N)=C\c1cnn(C)c1)c1ccccc1	491163793	YFGXGUYCQSTOSZ-WJDWOHSUSA-N	323.400	1.922	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cccc(Nc2nccs2)c1	823384757	TZYSTQQESUNAGB-SNVBAGLBSA-N	306.391	1.844	50	20	DDGD	
Cc1n[nH]c(C)c1/C=C(/C#N)C(=O)c1cccc(-c2nn[nH]n2)c1	826321677	MCTFDLCWPMJCEA-QPEQYQDCSA-N	319.328	1.997	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CCCN(C)C(=O)O)n1	829687989	TWZVXHXTEOBKEK-UHFFFAOYSA-N	324.385	1.156	50	20	DDGD	
Cc1ccccc1C1(CNC(=O)c2ccc(B(O)O)cc2)CC1	584939918	NGXDZBYTRJTZLZ-UHFFFAOYSA-N	309.174	1.136	50	20	DDGD	
CC(=NNC(=O)CCNC(=O)OC(C)(C)C)c1cncnc1C	497310665	DEFQYFHXSOMCLH-UHFFFAOYSA-N	321.381	1.540	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCC1CCN(CC(F)F)CC1	491175593	LPVSKLPHKJUGAI-ZRDIBKRKSA-N	301.337	1.524	50	20	DDGD	
Cc1cccc([C@@H]2C[C@@H]2[C@H](C)NC(=O)c2cccc(B(O)O)c2)c1	584933953	LZFJAJPNPLQGPK-VHSSKADRSA-N	323.201	1.597	50	20	DDGD	
CC(C)(C)NC(=O)CCNC(=O)[C@@]1(C)C[C@H]1Br	906542969	AXZPHWWKTFZGNA-PELKAZGASA-N	305.216	1.581	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=S)NCCc1cccs1	820176892	RDXLPLIVKMCHEU-LLVKDONJSA-N	315.464	1.601	50	20	DDGD	
O=C(CCc1nnc(-c2ccsc2)o1)NNc1cnccn1	734244149	QZXYNGHPTSAIAA-UHFFFAOYSA-N	316.346	1.664	50	20	DDGD	
COC(=O)N(C)CC(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	496142984	ULHQLGGXNUJLJU-UHFFFAOYSA-N	316.701	1.390	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCCC(=O)N2C)c1F	909360988	IDSULPIPRKBIKU-LLVKDONJSA-N	323.324	1.066	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC(C)(C)OCC1(C)C	734485740	RFJHQUCNWZCBTG-GFCCVEGCSA-N	313.442	1.458	50	20	DDGD	
Cc1cncc(/C=C/C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1	826318947	HHHLYCZJRFLKHW-AATRIKPKSA-N	321.344	1.727	50	20	DDGD	
C[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cc(Br)ccc1O	730592457	OWXHIRFMYKHONR-SVRRBLITSA-N	313.151	1.572	50	20	DDGD	
COC[C@H](OC)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	822388395	ZJYLLINUIKOOAP-JTQLQIEISA-N	303.702	1.353	50	20	DDGD	
OB(O)c1ccc(CNc2cccc(OC[C@H]3CCCO3)c2)o1	585013185	OISCTUFCHSNYFF-OAHLLOKOSA-N	317.150	1.129	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1[nH]c(-c2ccccc2)nc1C	732084554	OIXPLEOOJJLKKH-UHFFFAOYSA-N	324.344	1.491	50	20	DDGD	
CCN(CC)Cc1cccc(NCc2cccc(B(O)O)c2)c1	585012466	ZFPPNTGDYNVXQC-UHFFFAOYSA-N	312.222	1.820	50	20	DDGD	
C[C@@H](NCc1ccccc1B(O)O)c1ccc(OC(F)F)cc1	585014766	CVRGKQPYAMLJNV-LLVKDONJSA-N	321.132	1.819	50	20	DDGD	
O=S(=O)(CCl)N(CCO)[C@@H]1CCCc2ccccc21	830638494	HBIHNNUHNTUXDP-CYBMUJFWSA-N	303.811	1.884	50	20	DDGD	
COC(=O)N(C)NC(=O)C[C@H](c1nccn1C)C(F)(F)F	496387326	ZDGAEWKVNYKWSE-SSDOTTSWSA-N	308.260	1.186	50	20	DDGD	
CCNC(=O)NN=Cc1ccccc1OCC(=O)NCC1CC1	734748818	WSPIMXLANMEZAZ-UHFFFAOYSA-N	318.377	1.245	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCC[C@@H]1c1cccs1	584925671	ZZBIUWXTJUMULH-CYBMUJFWSA-N	301.176	1.405	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)c(C)c1OC	833235288	AIRPROHBMUALIY-CYBMUJFWSA-N	322.361	1.342	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)CC(F)(F)F)cn1	732473489	UGKPOOUGXBAROQ-UHFFFAOYSA-N	304.272	1.215	50	20	DDGD	
CC(C)c1cnc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)s1	831728881	VZUQSNZTMQWACW-IUCAKERBSA-N	312.395	1.844	50	20	DDGD	
O=C(NN=Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1	730577895	LWSXSXKXSVPRNQ-QMMMGPOBSA-N	318.757	1.364	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNC(=O)C(C)(C)c1ccccc1	836290044	DBICVQFMJXOUKU-KGLIPLIRSA-N	317.389	1.638	50	20	DDGD	
O=C(c1ccc(OCC(F)(F)F)cc1)N1CC[C@@H](B(O)O)C1	585068931	IRXPKTIROBBBLP-SNVBAGLBSA-N	317.072	1.317	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNc1ccc(F)c(F)c1F	839633869	XKEDLJHYXJCPKH-ZETCQYMHSA-N	303.284	1.695	50	20	DDGD	
O=C(CC1COC1)NNC(=O)c1cccc(OC(F)F)c1	900561462	JDKBBJFFYCMUGF-UHFFFAOYSA-N	300.261	1.086	50	20	DDGD	
CNC(=O)CC1CCN(C(=O)[C@@]2(C)C[C@H]2Br)CC1	906877160	BHGUZXBKNNQRMJ-MFKMUULPSA-N	317.227	1.535	50	20	DDGD	
COc1ccc([C@@H](NCC(=O)NNC(=O)C2CC2)C2CC2)cc1	733193592	YVSMRDDAXVJSJQ-INIZCTEOSA-N	317.389	1.293	50	20	DDGD	
C[C@H](O)[C@](C)(CNS(=O)(=O)CCl)Cc1ccccc1	831255145	HQIOYBAJOWHQLU-AAEUAGOBSA-N	305.827	1.732	50	20	DDGD	
CCOCc1ccccc1CNCc1ccc(B(O)O)cc1F	585015410	YWUDINYSPIBURN-UHFFFAOYSA-N	317.169	1.332	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCc2cnn(C)c2)c(F)c1	837208800	ARFZBSLHWDAHJN-UHFFFAOYSA-N	320.324	1.422	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCC[C@H](OC)C1	830191228	YOXRJLICDZUUJI-RYUDHWBXSA-N	316.398	1.128	50	20	DDGD	
CC(C)CSCCc1nc(-c2ccc(B(O)O)cc2)no1	585049534	ROZUZPYLYCXECZ-UHFFFAOYSA-N	306.196	1.348	50	20	DDGD	
Cc1ccc([C@@H](C)N(C)CC(=O)NNC(=O)C2CC2)c(C)c1	733194203	AIEROGCAUUHWRS-CYBMUJFWSA-N	303.406	1.854	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C[S@@](=O)c1ccc(Cl)cc1	908449409	VPEJSXQMSCUTEB-HXUWFJFHSA-N	314.794	1.395	50	20	DDGD	
Cn1cc([C@@H](NCc2ccc(B(O)O)cc2F)C(C)(C)C)cn1	585027302	ZLOKPSOPGNTWSC-OAHLLOKOSA-N	319.189	1.116	50	20	DDGD	
C[C@@]1(CCNC(=O)NNC(=O)c2ccc[nH]2)CC1(Cl)Cl	838682349	PUAGLYZYMCYYOS-LLVKDONJSA-N	319.192	1.933	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(C[C@H](C)NC(=O)NNC(=O)C2CCC2)C1	732453360	CRGILIUVMZNCDZ-XQQFMLRXSA-N	310.442	1.483	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)NCCCn1cncn1	837459016	YQAHUBVNLNZJCK-UHFFFAOYSA-N	308.773	1.956	50	20	DDGD	
C[C@@H]1CCCC[C@H]1CCNC(=O)NNC(=O)C(=O)N1CCCC1	734071505	LZCSUPANEKMPOT-OLZOCXBDSA-N	324.425	1.156	50	20	DDGD	
CC1(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CCCC1	736202695	JINPZVBSXWOLRW-UHFFFAOYSA-N	314.349	1.208	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)ccc(F)c1F	831866245	WLKVEFHBHXDJTR-IUCAKERBSA-N	313.304	1.851	50	20	DDGD	
CCN1CCN(c2ccc(NC(=O)NNC(=O)OC)cc2)CC1	915324595	ZONYZIZASNCESE-UHFFFAOYSA-N	321.381	1.221	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2ccc(C#N)cc2)C[C@@H](C)S1	743567812	AWPCPLPEVMNABD-GHMZBOCLSA-N	318.402	1.738	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1ccc(C(=O)O)c(F)c1	833149099	DTWBUQWRBRLHCG-UHFFFAOYSA-N	318.260	1.304	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cc(OC)cc(OC)c1	740762307	KMYJBKMWVXGAIJ-UHFFFAOYSA-N	321.377	1.459	50	20	DDGD	
Cc1nc2scc(C)n2c1C=NNC(=O)N1CCOCC1	745591360	WTELLKUDHWBTJJ-UHFFFAOYSA-N	307.379	1.388	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(NC(=O)C(C)(C)C)nc1	910144565	KSLOHJSDLSZVCB-SNVBAGLBSA-N	308.382	1.024	50	20	DDGD	
C=C[C@@H](C)ONC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	845636243	UUQSDOGSXIMECH-SNVBAGLBSA-N	307.354	1.594	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)Cc2ccc(Cl)cc2)CCN1	841984667	CRPGOYMGJIHNTJ-GXFFZTMASA-N	324.812	1.353	50	20	DDGD	
COc1ccc(NNC(=O)CNC(=O)c2ccc(O)cc2)cc1	746882659	GBAFNCWJLZCKIR-UHFFFAOYSA-N	315.329	1.274	50	20	DDGD	
CO[C@H](CC(=O)NNC(=O)c1ccc(C#N)cc1)C(F)(F)F	845340919	SFBSACUFJIDUEI-SNVBAGLBSA-N	315.251	1.287	50	20	DDGD	
NC(=O)[C@H]1CC[C@H]1C(=O)NNc1cccc(Br)c1	847599966	XUZJZVAXIUXISD-VHSXEESVSA-N	312.167	1.404	50	20	DDGD	
O=C(COC(=O)[C@H]1CC12CCCC2)NNC(=O)c1cccs1	747727440	MPUSLJTUGFQAMF-SNVBAGLBSA-N	322.386	1.633	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)c2cc([N+](=O)[O-])ccc2O)o1	743441393	IBQNSLQWFYZHAC-UHFFFAOYSA-N	300.230	1.529	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H](C[C@H]1CCCO1)C(F)(F)F	845213832	SKBGJNYDVZTIQJ-BDAKNGLRSA-N	310.316	1.928	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)CNc1cccc(OC)c1	846627692	FKGNLNFFWWPVLZ-UHFFFAOYSA-N	316.361	1.459	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2CCN(CC(F)F)C2)n1	841595203	QNKWEDDQBNVSCU-JTQLQIEISA-N	314.340	1.059	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCc2ccccc2C1	845217156	WQHXMEMYZKMUGT-SMDDNHRTSA-N	318.373	1.281	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H](C[C@@H]1CCCO1)C(F)(F)F	845213834	SKBGJNYDVZTIQJ-IUCAKERBSA-N	310.316	1.928	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C2SCCCS2)n1	841400259	UNVLNEKVPXXDLL-UHFFFAOYSA-N	300.409	1.433	50	20	DDGD	
C[C@H](Cc1ccc(C#N)cc1)C(=O)NNC(=O)CC(F)(F)F	848371504	XEHSJWNJHJZEMH-SECBINFHSA-N	313.279	1.837	50	20	DDGD	
O=C(NCC1=CCNCC1)[C@@]12CC[C@@H](C[C@H]1Br)C2	846678062	QEZFBXPQRMFQAR-OUCADQQQSA-N	313.239	1.976	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H]2CCCC[C@@H]2CN)cc1	841948177	IZFKAFAWWYLQHN-HUUCEWRRSA-N	318.421	1.711	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccccc1O)C(=O)OC(C)(C)C	840844473	BMNXLOKYSSXTHY-VIFPVBQESA-N	308.334	1.131	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)C(=O)NC(C)C)c(OC)c1	744812971	XPFFWMZIINFAJE-UHFFFAOYSA-N	307.350	1.069	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCCC(=O)OC(C)(C)C)n1	745930550	IRLRIXCFZIMVMX-UHFFFAOYSA-N	323.397	1.841	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1CCc2ccc(F)cc21	748781694	ZQCYNVGKJIBWMN-GFCCVEGCSA-N	319.380	1.561	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	843652731	KUFOGIMQDBUFOJ-VDRLWUJMSA-N	324.396	1.867	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc2c1OCCCO2	844619462	FIKHBGSDXQUAEI-QWRGUYRKSA-N	320.345	1.034	50	20	DDGD	
O=C(NNS(=O)(=O)c1cc(F)cc(Cl)c1)c1ccc[nH]1	755406457	MHSIFHCJLTXHNF-UHFFFAOYSA-N	317.729	1.431	50	20	DDGD	
CO[C@H](CC(=O)NNC(=S)N[C@@H](C)C1CC1)C(F)(F)F	855095090	IYHXVNFRCHDPCG-POYBYMJQSA-N	313.345	1.248	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)c1cccc(F)n1)c1cccnc1	856427400	WLLRSNLFWIXOLO-AWEZNQCLSA-N	316.336	1.817	50	20	DDGD	
CCc1nnc(O)c(C(=O)NNc2ncc(Cl)cn2)c1CC	857357118	HNQRPZCGEJRNLI-UHFFFAOYSA-N	322.756	1.507	50	20	DDGD	
CC(C)n1cc(NC(=O)NNC(=O)c2ccc(C#N)cc2)cn1	756826511	HZVKXIHFDHWXRI-UHFFFAOYSA-N	312.333	1.802	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(O[C@H]2CCOC2)cc1	756682704	PAWDPYYQCAAYBP-ZDUSSCGKSA-N	323.349	1.044	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)NC[C@H]1CCCNC1=O	922862781	ZPIIHHOSACCQKY-SNVBAGLBSA-N	310.785	1.801	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2cccnc2C)n1	858824463	DPRALIFGUMZEIA-UHFFFAOYSA-N	302.338	1.323	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2ccccc2F)nc1	752993359	YTJUVQBSCTUTEM-UHFFFAOYSA-N	303.293	1.369	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCc1ccc(OC(F)F)cc1	854926741	JVEZUBQCEKTKPV-UHFFFAOYSA-N	317.361	1.688	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NC[C@@]1(C)C[C@H]1Br	857395351	SAGVNCNYALBUTQ-PRHODGIISA-N	306.200	1.865	50	20	DDGD	
Cc1ccc(F)c2c1NC(=O)C2=NNC(=O)c1ccc(O)cc1	750915860	CPUFDSHXXALPCO-UHFFFAOYSA-N	313.288	1.926	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1cc(N)ccc1F	853390752	KYRVDGPZOGWWNK-DOMZBBRYSA-N	320.368	1.111	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1	755863981	AFXFBAJWDINFQK-QWRGUYRKSA-N	321.381	1.258	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cc(C)c(C(=O)OC)o1	853277504	RAUKUTFQFVEVBT-UHFFFAOYSA-N	309.366	1.557	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cccc(NC(=O)[C@@H](C)OC)c1	756230645	YCCIELJTBGOBQH-SECBINFHSA-N	308.338	1.223	50	20	DDGD	
NC(=O)C(=O)NN=C1CCCc2cc(SC(F)F)ccc21	750917101	YXLPKONBFBAGOZ-UHFFFAOYSA-N	313.329	1.643	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)C(C)(C)C)c1cnoc1C	853408013	HPSCLIIAIJWVTH-UHFFFAOYSA-N	308.382	1.766	50	20	DDGD	
C[C@@]1(CNC(=O)NC2CCC(N)CC2)C[C@@H]1Br	857103186	DLVADPABOWFEMQ-GZJRGEOXSA-N	304.232	1.729	50	20	DDGD	
O=C(NCC1=CCCC1)NNC(=O)[C@H]1COc2ccccc2O1	852633529	GKBVIRQYOQWFBY-CQSZACIVSA-N	317.345	1.267	50	20	DDGD	
O=C(NNc1ccncn1)C(F)(F)c1c(F)cccc1F	857520572	DFKPNYZUFMNHGG-UHFFFAOYSA-N	300.215	1.990	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc2c(c1)NC(=O)CCS2	854927967	KXSBJDHXVZWHGO-UHFFFAOYSA-N	324.431	1.202	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ccc(NC2CC2)nc1	759286040	UPFDCGSYIKINJO-UHFFFAOYSA-N	314.305	1.716	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(-c2nnc(C)o2)cc1	756833806	APVUOHIEKCHIOI-UHFFFAOYSA-N	319.321	1.234	50	20	DDGD	
Cc1nn(CC(F)F)cc1C(=O)NNc1ncncc1Cl	935543292	HRDYNWIQUBMJIB-UHFFFAOYSA-N	316.699	1.657	50	20	DDGD	
CCOc1cccc(C=NNC(=O)Cc2nc(C)cs2)n1	763149561	MGGUBBWDAYJODF-UHFFFAOYSA-N	304.375	1.938	50	20	DDGD	
CCc1ccc(C(=O)NNC(=S)NCc2ccon2)cc1	764437141	DFMJSQMLRUDNGD-UHFFFAOYSA-N	304.375	1.546	50	20	DDGD	
C[C@@H]1CCCN(S(=O)(=O)CC(C)(C)CCl)[C@@H]1C(=O)O	864497295	MEBTXUUDWZLQOV-ZJUUUORDSA-N	311.831	1.766	50	20	DDGD	
COCCCn1cc(C(=O)NNc2cccnc2Cl)cn1	861985826	CVDZOZMSEXUPIF-UHFFFAOYSA-N	309.757	1.725	50	20	DDGD	
O=C(NNc1ncccn1)N[C@@H]1CC[C@H]2SCCS[C@H]12	763058588	GVZRCRLJHYQDRU-OPRDCNLKSA-N	311.436	1.482	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2ccc3c(c2)ncn3C)ccn1	761258302	ISDPAQCPCNYTRW-UHFFFAOYSA-N	322.372	1.798	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Cc1cc[nH]n1)C1CCC(C)CC1	764082369	MRGOPPBGRVMGOF-ORHYLEIMSA-N	306.410	1.952	50	20	DDGD	
O=[N+]([O-])c1cccc(CS(=O)(=O)NCC(Cl)Cl)c1	867470560	QCDCNOKBEILARH-UHFFFAOYSA-N	313.162	1.818	50	20	DDGD	
Cc1nc([C@@H]2CCN(S(=O)(=O)CC(C)(C)CCl)C2)n[nH]1	867407963	RXCDURYORFTMIR-SNVBAGLBSA-N	320.846	1.497	50	20	DDGD	
CCc1[nH]nc(C(=O)NNc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-]	768245976	DLQXQSTXGBQINM-UHFFFAOYSA-N	320.265	1.545	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C2CSC2)cc1	864494572	LPVYFBQDMPTLBQ-JTQLQIEISA-N	324.402	1.363	50	20	DDGD	
CCOC(=O)N1CCC(C(=O)NN=c2cc[nH]c(C)c2)CC1	862508316	NXUFGXMAFYIWLA-UHFFFAOYSA-N	306.366	1.124	50	20	DDGD	
CCOC(=O)c1nn(C)cc1C=NNC(=O)c1ccc(O)cc1	769762197	GKVMOVYEAULRHK-UHFFFAOYSA-N	316.317	1.066	50	20	DDGD	
Cc1cccnc1NNC(=O)C(C)(C)NC(=O)C(F)(F)F	760531342	NYCVDHHCPRFPKE-UHFFFAOYSA-N	304.272	1.290	50	20	DDGD	
COc1nccnc1NNC(=O)C[C@H](C)n1nc(C)cc1C	764482312	SCPJJPWCQHMFSW-NSHDSACASA-N	304.354	1.393	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCCO2)N[C@H]1CC12CCC2	873257375	TZDSRTLTEIVRME-ZDUSSCGKSA-N	317.345	1.344	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCCCC(=O)OC(C)(C)C	773763202	ZNXWGSKTQVOSAW-UHFFFAOYSA-N	315.414	1.875	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1	875501297	YOPHCNMFDHXLMJ-STQMWFEESA-N	307.350	1.819	50	20	DDGD	
Cc1c(NC(=O)NCC(Cl)Cl)cccc1-n1cnnn1	878007449	UOFPQLNHVOZQJX-UHFFFAOYSA-N	315.164	1.896	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2cc(C)n(C)n2)c1	873754731	OUDAEVRMJGSXDL-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
O=C(/C=C/CN1CCOCC1)NNc1cc(Cl)ccc1F	871271390	NWIPMZUUYDIGEM-OWOJBTEDSA-N	313.760	1.811	50	20	DDGD	
CCCc1nnc(S)n1CC(=O)NNc1ccc(F)cn1	874651563	QJNVHZYUXNPYHV-UHFFFAOYSA-N	310.358	1.197	50	20	DDGD	
CN(N=Cc1cn(C[C@H]2CCCO2)nn1)C(=O)OC(C)(C)C	872343700	APAJTZBPNXIYMR-GFCCVEGCSA-N	309.370	1.658	50	20	DDGD	
COC(=O)c1cc(NC(=O)NN(C)C(=O)OC)ccc1Cl	878245668	CMXKQKYKWMRWRM-UHFFFAOYSA-N	315.713	1.861	50	20	DDGD	
Cc1ncc(NC(=O)C(=O)NNc2c(F)cccc2Cl)cn1	770812230	JKSOLCBBUYAEML-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
COC(=O)NNC(=O)CCN(CC1CC1)C(=O)OC(C)(C)C	878000252	FODWSJOWFDYYBP-UHFFFAOYSA-N	315.370	1.411	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C(F)F)cc1	772073799	BYUJVQIZALOYAZ-MRVPVSSYSA-N	314.288	1.727	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@@]2(C)CCO[C@@H]2C2CC2)cc[nH]1	875500592	VPQWIHPGJJYILD-GDBMZVCRSA-N	304.394	1.643	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1nc(CC(F)(F)F)cs1	879687676	MIXWVEMMMOXJCB-UHFFFAOYSA-N	312.273	1.983	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(C)cnc1Cl	885111247	HYINKUOIIJVOPZ-MRVPVSSYSA-N	313.741	1.146	50	20	DDGD	
CN(CCC1CCCCC1)C(=O)NNC(=O)c1cccnn1	883850470	YAYMINUHJLENTH-UHFFFAOYSA-N	305.382	1.733	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@](C)(O)CCc1ccccc1	774469559	ZRWARJGOBNWFJW-INIZCTEOSA-N	316.361	1.312	50	20	DDGD	
CC#CCCNC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	776204981	IHRMYIHRYRWVMT-UHFFFAOYSA-N	303.366	1.502	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCN1C1CCCC1)c1cccnn1	882057044	LUHLSLVSTYKGPF-CQSZACIVSA-N	317.393	1.035	50	20	DDGD	
CC(C)C[C@H]1CN(C)CCN1C(=O)/C(C#N)=C/c1cnn(C)c1	886600649	YZWJSFDEQBTOBT-AHQMPEJBSA-N	315.421	1.516	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cnn3c2NCCC3)n1	1123901093	AAFMITQFIVBFTR-UHFFFAOYSA-N	307.745	1.207	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)C1(Cc2ccccc2F)CC1	785409713	IOJZBKQPLWLVEN-UHFFFAOYSA-N	305.353	1.889	50	20	DDGD	
Cc1c[nH]cc(C(=O)NNC(=O)c2cccc3ccccc23)c1=O	781427305	KOJPHERYRWAZTQ-UHFFFAOYSA-N	321.336	1.911	50	20	DDGD	
CC(C)(CC(=O)NNC(=O)c1cccnn1)c1ccc(F)cc1	882056557	ZGCNRYYOBKDSEW-UHFFFAOYSA-N	316.336	1.745	50	20	DDGD	
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)/C(C#N)=C\C1CC1	786681937	YTFRVKPZNIFHIB-OOABXRKESA-N	303.362	1.833	50	20	DDGD	
COc1cc(OC)c(NC(=O)NNC(=O)C2CCC2)cc1F	782585281	QEVUMITUQIOETO-UHFFFAOYSA-N	311.313	1.796	50	20	DDGD	
C[C@H](CSc1ccccc1)C(=O)NNC(=O)C1CCOCC1	894103236	HJSXXFQDGIVCPF-GFCCVEGCSA-N	322.430	1.989	50	20	DDGD	
COC(=O)COc1ccc(C(=O)NNc2ccnc(F)c2)cc1	781363966	UNDDXYVQSJAROP-UHFFFAOYSA-N	319.292	1.529	50	20	DDGD	
CCOC1CC(CC(=O)NNc2nc(-c3cccnc3)no2)C1	789758645	GXXGACDXXMBLOY-UHFFFAOYSA-N	317.349	1.780	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1cc2ccccc2n(C)c1=O	793672254	HOWJHLSDFBONDA-SDNWHVSQSA-N	311.341	1.599	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)C2CCC(O)CC2)cc1	792023802	WFAZVIKOHAQSSZ-UHFFFAOYSA-N	322.430	1.786	50	20	DDGD	
CC(C)c1occc1C(=O)NNc1nc(O)c2cnn(C)c2n1	795100182	IMGUTKBIOWHDRV-UHFFFAOYSA-N	316.321	1.542	50	20	DDGD	
C[C@H](NC(=O)CCC(=O)NNC(=O)CC1CC1)c1ccccc1	897860998	URGUNQWJMWBKTR-LBPRGKRZSA-N	317.389	1.592	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC(F)(F)C1)c1cccc([N+](=O)[O-])c1	794867091	ZVZRQCMXLLENRW-VIFPVBQESA-N	313.260	1.791	50	20	DDGD	
CSSCCNC(=O)NC[C@@H]1CN(CC(C)C)CCO1	790880456	KBMUZCLFNSGUIQ-GFCCVEGCSA-N	321.512	1.654	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cn3c(n2)CCCC3)cc1	799592030	GZBRCKZGNUGISS-UHFFFAOYSA-N	309.329	1.166	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H](C)Cc2ccco2)n1	792800919	LCHYRNUVGRXNKQ-LLVKDONJSA-N	302.334	1.558	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NNC(=O)c1ccc(Cl)cc1OC	796896264	CQAZFTFKXLEAMS-HJWRWDBZSA-N	323.736	1.554	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ncn(-c3ccccc3)n2)n1	794081621	LPTGLGISOFFKAT-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cn(Cc2ccccn2)nn1	791219082	MALIMGAZGIVBMA-UHFFFAOYSA-N	309.333	1.182	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)COc1ccc(C)c(C)c1)C(=O)OC	790113829	LFQLEZMFRILHEJ-ZDUSSCGKSA-N	322.361	1.029	50	20	DDGD	
COc1ccc(NCC(=O)NN=C(C)c2ccnc(O)c2)cc1	790289455	XWCYWBAKBYGEQT-UHFFFAOYSA-N	314.345	1.748	50	20	DDGD	
Cc1ccc(C(=O)NCC(=O)NNc2ccc(Cl)nc2)s1	1322156703	JARRCJOJMBGPGV-UHFFFAOYSA-N	324.793	1.978	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1C1CC1)c1ccccc1Cl	1320929733	HOBMSKVKRNATTR-CYBMUJFWSA-N	307.781	1.728	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H]1CCC[C@@H](F)C1	1326732052	DOZVMMHMNZAFCO-MNOVXSKESA-N	309.341	1.920	50	20	DDGD	
CC(C)(F)CCNC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1329545509	JVQRFZMCLCVYHT-QPUJVOFHSA-N	323.206	1.531	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C(C)(C)c1ccccc1)n1ccnc1	1321637193	ZIXOBLRPUQPRFS-LBPRGKRZSA-N	300.362	1.569	50	20	DDGD	
C[C@@H]1CCCc2ncc(C(=O)NNc3nncc(N)c3Cl)n21	1326507851	KLZLFLMHQUKFSJ-SSDOTTSWSA-N	321.772	1.563	50	20	DDGD	
CCCOc1ccccc1NC(=O)NNC(=O)C1CCNCC1	1325302358	BFHIYHXFFBIVJC-UHFFFAOYSA-N	320.393	1.628	50	20	DDGD	
Cc1nnc(NNC(=O)C[C@@H](C)c2c(C)noc2C)nc1O	1320153386	VHBXBXLHNJXKLX-ZCFIWIBFSA-N	306.326	1.127	50	20	DDGD	
CC[C@@]1(C)NC(=O)N(NC(=O)c2cccc(CCl)c2)C1=O	1337208640	BTRZSTHUTKEOSA-CQSZACIVSA-N	309.753	1.791	50	20	DDGD	
C[C@@H]1CN(c2nnnn2C[C@]2(C)C[C@@H]2Br)C[C@@H]1C	1334617954	UMVGTNFWPXKGGX-WYFGTUCQSA-N	314.231	1.939	50	20	DDGD	
O=C(NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)c1ccccc1Cl	1334735422	UWUPVNXGWSVNAI-OUJBWJOFSA-N	308.765	1.916	50	20	DDGD	
Cc1ccc2c(c1)[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@H]1C)CO2	1332077358	DYCNALVNZGLXRJ-GMXVVIOVSA-N	319.361	1.184	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H](CO)CC2CCC2)c1	1331325851	OFJIZRWHDCCODC-NSHDSACASA-N	311.407	1.552	50	20	DDGD	
COc1cccc(NNC(=O)c2ccn(CC(F)(F)F)n2)n1	1337167670	SHGCCXRZFSBJIT-UHFFFAOYSA-N	315.255	1.606	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1cccc(OCC#N)c1	1339031413	CUFWNSXADYKPPC-UHFFFAOYSA-N	304.350	1.465	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNc1ccc(C(C)(C)C)nn1	1261362203	SAVBCUBZWQCOGG-SNVBAGLBSA-N	307.398	1.365	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2)c1ccccc1	1343510560	QVXJJIYPNQNZRI-BYNSBNAKSA-N	317.389	1.831	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1nnn(Cc2ccncc2)c1C	1347760882	ZOPHFNDIBVMCQL-JLHYYAGUSA-N	312.333	1.412	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccccc1COC(C)(C)C	1348225943	YMXWNMCZAWUINO-UHFFFAOYSA-N	307.350	1.108	50	20	DDGD	
COc1ccnc(NNC(=O)C2(Oc3ccccc3)CC2)n1	1345237381	ZZPKAKXDJIISDV-UHFFFAOYSA-N	300.318	1.540	50	20	DDGD	
CCOC(=O)c1cc(CNC[C@]2(C)C[C@H]2Br)[nH]n1	1351163018	MBMCFMLTCIPFSF-PWSUYJOCSA-N	316.199	1.850	50	20	DDGD	
CN(CCCC(=O)NNC(=O)C(C)(C)C)C(=O)c1ccncc1	1351934432	HSDUQTVQBUIAJE-UHFFFAOYSA-N	320.393	1.127	50	20	DDGD	
Cc1cc(=NNC(=O)c2cc(-c3nn[nH]n3)ccc2C)cc[nH]1	1605739074	AIQRQMQNTHRXGN-UHFFFAOYSA-N	309.333	1.057	50	20	DDGD	
CO[C@]1(C(=O)NNc2ccc(F)c(C(=O)O)c2)CCSC1	1606690435	PJIMXPDLIOVNFS-CYBMUJFWSA-N	314.338	1.489	50	20	DDGD	
O=C(Cc1ncccc1F)NNc1ccc(F)c(C(=O)O)c1	1601376477	UEDCHDFGJCROOO-UHFFFAOYSA-N	307.256	1.744	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)c1ccoc1	1609559357	ZOFJMFFVRWBOCT-UHFFFAOYSA-N	304.697	1.870	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2ccc3nc(O)oc3c2)c1	1602449912	CKWKGQHJDSJVNU-UHFFFAOYSA-N	313.269	1.989	50	20	DDGD	
Cc1cc(CNS(=O)(=O)CC(C)(C)CCl)oc1C(=O)O	1600210630	UHMYZLVMFMAUMA-UHFFFAOYSA-N	323.798	1.971	50	20	DDGD	
O=C(NNc1ccncn1)Nc1cc(F)c(C(=O)O)c(F)c1	1601561808	BFEJSOGBBRYPEF-UHFFFAOYSA-N	309.232	1.602	50	20	DDGD	
Cc1c(NNC(=O)C[C@H]2CCC(=O)N2C)cccc1C(=O)O	1600052331	HWDUGFUWQNIJPW-SNVBAGLBSA-N	305.334	1.147	50	20	DDGD	
O=C(/C=C\c1cncc(O)c1)NNc1ccc(F)c(C(=O)O)c1	1608288467	LFCZYDMTVILCOZ-RJRFIUFISA-N	317.276	1.781	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)C1CN(C2CCCCC2)C1	1606528452	HTBYVBQAMMSKRG-UHFFFAOYSA-N	318.377	1.487	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cccc3c2COCC3)nc1	1602382910	JCQSLSYHFYRBRF-UHFFFAOYSA-N	313.313	1.609	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cccc(-n3cnnn3)c2)c1	1610848299	CDZDUCTUPUFXBC-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
O=C(O)CCCC=NNC(=O)C1CCN(c2ncccn2)CC1	1611425809	FVSXFFAHLWKETD-UHFFFAOYSA-N	319.365	1.050	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@@H]1CN[C@@H]1CC(=O)N(C2CC2)[C@@H]1c1ccnn1C	1550634798	XJYAOWPAQXNBKZ-RKWGGURWSA-N	322.840	1.687	50	20	DDGD	
CNNC(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F	1578744704	LYHYBWDSRAKXGH-UHFFFAOYSA-N	303.219	1.289	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)[C@H]2CNCCO2)C1	1575263139	RFSRVFQZSCAFCK-CHWSQXEVSA-N	314.502	1.598	50	20	DDGD	
C/C(=C\c1ccccn1)C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1573365175	LKJLJFMAIHQKOC-CSKARUKUSA-N	322.332	1.203	50	20	DDGD	
C[C@@]1(C(=O)NNc2ccc(OC(F)F)cc2)C[C@H](N)CCO1	1576351116	WOMROJCMHQINKJ-OTYXRUKQSA-N	315.320	1.628	50	20	DDGD	
CC(=NNC(=O)C1CCOCC1)c1ccc(OCC(=O)O)cc1	1589011181	SDKXZFUIAHKYBX-UHFFFAOYSA-N	320.345	1.417	50	20	DDGD	
C#CCN(C)CCCNC(=O)NNc1cccc(C(=O)O)c1F	1588461277	KIRGIVALPFHDMB-UHFFFAOYSA-N	322.340	1.105	50	20	DDGD	
Cc1n[nH]cc1C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843364771	CGKCWZYYWMPEOL-SNVBAGLBSA-N	314.748	1.070	50	20	DDGD	
N#CCCCC[C@@H](N)C(=O)NNC(=O)NCCc1cccs1	1580050985	VKVLRTKLLJECDP-GFCCVEGCSA-N	323.422	1.032	50	20	DDGD	
N[C@H]1C[C@@H](NC(=O)NNC(=O)c2c(Cl)cccc2Cl)C1	1580424295	YBODYVJYTPQETK-KNVOCYPGSA-N	317.176	1.427	50	20	DDGD	
C#CCCCCC(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843367089	GLEXRRDVTHZEOS-ZDUSSCGKSA-N	314.788	1.918	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@@H](CC(=O)O)C(C)(C)C	1591111215	GJFHLXYATPVTTF-MNOVXSKESA-N	315.414	1.047	50	20	DDGD	
COCc1cc(NC(=O)NNc2ncccn2)cc(C(=O)O)c1	1599286275	PTUBIGSLLOAPSL-UHFFFAOYSA-N	317.305	1.470	50	20	DDGD	
C[C@]1(C(=O)N2CCC3(CC2)C[C@H]3C(=O)O)C[C@@H]1Br	1593745169	FIRRIYLTGJSBKD-AUTRQRHGSA-N	316.195	1.873	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C2(C(=O)O)CCC2)c2ccccc21	1594530329	MJVIGVNCSPFYJJ-UHFFFAOYSA-N	315.329	1.194	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1c[nH]c2ccc(C(=O)O)cc12	1776115522	BFZJZQFDEOMYDN-IZZDOVSWSA-N	314.297	1.963	50	20	DDGD	
N#C/C(=C\c1cnnn1C1CC1)C(=O)Nc1ccc(C(=O)O)cc1	1776130720	VGPHWWRCVLEFNV-YRNVUSSQSA-N	323.312	1.857	50	20	DDGD	
O=C(Cc1ccccn1)NN=Cc1c(F)cc(C(=O)O)cc1F	1776043579	ZCHKDNOHEUSTJZ-UHFFFAOYSA-N	319.267	1.751	50	20	DDGD	
Cc1nc(-c2ccc(NC(=O)NNC(=O)CCO)cc2)cs1	155620373	SIHGTESJOZHLGW-UHFFFAOYSA-N	320.374	1.654	50	20	DDGD	
N#C/C(=C/c1ccc2c(c1)OCCO2)C(=O)NC[C@@H]1CCCO1	3477268	PXUQZWMBFKAOOE-MQJVFOOVSA-N	314.341	1.660	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NOCCC(F)(F)F)c1	154478784	HWWOTLBIDHLTNW-UHFFFAOYSA-N	316.239	1.386	50	20	DDGD	
C=CCOc1cc(OC)ccc1C(=O)NNc1ncccn1	156964615	GONQHROZTKNJQV-UHFFFAOYSA-N	300.318	1.807	50	20	DDGD	
O=C(NNC(=O)[C@@H](c1ccccc1)N1CCSCC1)C1CC1	58781399	NIKCOAHKECMFMV-CQSZACIVSA-N	319.430	1.334	50	20	DDGD	
CC[C@@H](CC(=O)NNC(=O)C(=O)N1CCCC1)c1ccccc1	103433257	ZWCCYTUCYSMMIW-ZDUSSCGKSA-N	317.389	1.340	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCC2(c3ccccc3)CC2)cn1	117956351	NZMKFABDEMMRMQ-UHFFFAOYSA-N	313.361	1.096	50	20	DDGD	
N#Cc1cccc(C(=O)NNS(=O)(=O)c2cccs2)c1	103425586	QFEDUVFHDRHGEU-UHFFFAOYSA-N	307.356	1.243	50	20	DDGD	
COC[C@@H](C)CNC(=O)NNC(=O)c1ccc2ccccc2n1	170890283	CNZMVPLFFAYBMY-NSHDSACASA-N	316.361	1.461	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cc2c(s1)CCCCC2	25401183	FBYJSDPXJROALO-NSHDSACASA-N	308.403	1.957	50	20	DDGD	
CCOC(=O)NNC(=O)CCc1cnn(-c2ccccc2)c1	21772502	VEZSJHXWYBHGTI-UHFFFAOYSA-N	302.334	1.582	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCCCC2CCCCC2)cn1	117960961	LGNHXRZPRKGWIV-UHFFFAOYSA-N	307.398	1.725	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@@H]2C[C@@H]3CC[C@]2(C)C3(C)C)cn1	172274325	OQAUXVIPQVUFAT-OZVIIMIRSA-N	319.409	1.579	50	20	DDGD	
C[C@@H](OC[C@H]1CCCO1)C(=O)NNC(=O)Cc1ccccc1F	66784974	VQVAJGHBWPJBIA-DGCLKSJQSA-N	324.352	1.100	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cnn(C)c1)[C@@H](C)c1ccccc1	174890696	OFJYSGJMXVQSGW-NEPJUHHUSA-N	315.377	1.556	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C	175651174	XJXPKAFRPKGHMM-ZUZCIYMTSA-N	323.368	1.816	50	20	DDGD	
CN(C(=O)NNC(=O)Cc1cccnc1)C(C1CC1)C1CC1	170887766	ZCNZKVSDWXWCOU-UHFFFAOYSA-N	302.378	1.485	50	20	DDGD	
CCCN1CC[C@@H](NC(=O)NNC(=O)c2ccc(OC)cc2)C1	1347368454	XYKMSQSQDSBAQO-CYBMUJFWSA-N	320.393	1.124	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CCc2cnn(C)c2C)c1	179494743	WGCZLVUULMCBJI-UHFFFAOYSA-N	306.341	1.952	50	20	DDGD	
COc1ccc(CCCC(=O)NNc2nnc(C)c(O)n2)cc1	61620252	FZCUEDMYPHYEBA-UHFFFAOYSA-N	317.349	1.360	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2n[nH]cc2Br)c1	1347739749	ZMVRVRXYMQCNLU-UHFFFAOYSA-N	306.123	1.801	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2cc(C(F)(F)F)ccc2F)CCN1	128572359	SQDMJWDPUGOIDK-ZETCQYMHSA-N	319.258	1.814	50	20	DDGD	
Cc1cc(C(=O)NNc2ncc(F)cn2)c(N)c([N+](=O)[O-])c1	122505034	FFUHYLQNCAPGMD-UHFFFAOYSA-N	306.257	1.171	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2cncc(Cl)n2)c(F)c1	128257747	RFSBMDKKMHVPOV-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
CN1C(=O)c2ccc(C(=O)NNc3ccnc(F)c3)cc2C1=O	182506679	SILCRDYEGGWQQE-UHFFFAOYSA-N	314.276	1.203	50	20	DDGD	
C[C@H](Oc1ccccc1Cl)C(=O)NNC(=O)c1cccn1C	74405410	VMITZDRSHYBYHK-JTQLQIEISA-N	321.764	1.907	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2cc(C)no2)c1	30060116	MGNQJQILJBOCTD-UHFFFAOYSA-N	303.318	1.440	50	20	DDGD	
CC(=O)N1CCC[C@@H](C(=O)NNc2nnc(C3CC3)s2)C1	184537357	RWTIVNHKRNWAEA-SNVBAGLBSA-N	309.395	1.117	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCC(C)(C)OC)c1ccccc1	75311068	LYYPVGSIHJALJN-CYBMUJFWSA-N	307.394	1.936	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2cnn(C(C)C)c2)c1	188506621	BSUOXADOTCKMGH-UHFFFAOYSA-N	316.361	1.612	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(-n2nccn2)cc1	184057495	LXZBEFAVSGHYEP-JTQLQIEISA-N	302.338	1.466	50	20	DDGD	
COc1cccc(C(=O)NCC(=O)NNc2ccc(C#N)cc2)c1	184092503	KCGUDAQRCGKXKL-UHFFFAOYSA-N	324.340	1.440	50	20	DDGD	
Cc1c(C)c(O)c(C=NNC(=O)C2CCOCC2)c(C)c1O	1262038788	ZIDSSSLFVQBBDF-UHFFFAOYSA-N	306.362	1.900	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1CCN(c2ncccc2F)C1	182055284	YSWUTWUZUYNPME-HCRIHEDKSA-N	304.325	1.360	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCCCN1CCCCC1	78947040	UJJDXKCKDKMQPF-UHFFFAOYSA-N	300.403	1.601	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2cccc(C)c2)c1	73315402	ZJPUBYXLEFKYCJ-UHFFFAOYSA-N	313.357	1.877	50	20	DDGD	
Cc1ccc2cccc(C(=O)NNC(=O)c3cccn3C)c2n1	130847981	CVUFXKIYNQZGRN-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
Cc1ccc(C[C@H](C)C(=O)NNC(=O)c2cc(C)n[nH]2)cc1	181339621	MYTMMCFDIFOPSS-NSHDSACASA-N	300.362	1.666	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N(C)C)cc1-c1ccccn1	132464729	OKJYJYFPPBCWQO-UHFFFAOYSA-N	314.345	1.673	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)oc1C	131021776	CAXSSMHWYLTGEH-AWEZNQCLSA-N	316.313	1.497	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cc1cccc(F)c1F)C1CC1	88280865	LYINYJRYKJXZIT-QMMMGPOBSA-N	313.373	1.801	50	20	DDGD	
CN(C)c1ccnc(C(=O)NNC(=O)c2cccc(Cl)c2)c1	195486484	PNQDBBBHLKPWGG-UHFFFAOYSA-N	318.764	1.876	50	20	DDGD	
C[C@@H](CBr)CN1CCN(c2cnn(C)c2)CC1	133846199	XHJFLRKHROHJIB-NSHDSACASA-N	301.232	1.573	50	20	DDGD	
COc1cc(F)ccc1NC(=O)C(=O)NNc1cc(C)ccn1	190051377	ZMFPJEBDLVOQAA-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccc(C)o2)c1[N+](=O)[O-]	192689159	GPJFCINJHVVVNV-UHFFFAOYSA-N	319.273	1.580	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=S)N[C@H](C)C2CC2)c(C)c1	83679296	YYGCSWCPQXRBKY-GFCCVEGCSA-N	321.446	1.976	50	20	DDGD	
O=C(NCc1cccc([N+](=O)[O-])c1)NNc1cncc(Cl)n1	194489286	MFKDASGIYNYJPI-UHFFFAOYSA-N	322.712	1.865	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCCC1CCCCC1	83188687	HNDYDJHVEIZSAX-UHFFFAOYSA-N	304.394	1.925	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H](CC(C)C)C(=O)O	236584244	NTXQJMFHNOGWOC-LLVKDONJSA-N	315.801	1.968	50	20	DDGD	
NC(=O)NN=Cc1cc(Br)c2c(c1)OCCCO2	252667195	GPOJXQHECXTBJG-UHFFFAOYSA-N	314.139	1.613	50	20	DDGD	
COCCOc1ccc(C(=O)NNc2nccc(OC)n2)cc1	264831754	ZMOCCDANSNQANF-UHFFFAOYSA-N	318.333	1.267	50	20	DDGD	
CSc1nc(C2CC2)nc(C)c1C(=O)NNc1ncccn1	266856427	SXNUJYNFDSBLKH-UHFFFAOYSA-N	316.390	1.931	50	20	DDGD	
O=C(NNc1ncccn1)N[C@H]1CCO[C@@]2(CCSC2)C1	269170455	XQKKTVJNNWHZTF-GWCFXTLKSA-N	309.395	1.157	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C(=O)N1CCCC1)c1cccc(Cl)c1	266086179	HTXYXTYKVTVRBL-SNVBAGLBSA-N	323.780	1.213	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=S)Nc2ccc(OC)nc2)O1	268292200	YVQVGPHLMZWTOF-GHMZBOCLSA-N	324.406	1.365	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CN2CCC(C)CC2)c1	268631750	MRRCZUTXLUHRNW-UHFFFAOYSA-N	319.405	1.253	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@]12CCOC2)c1ccc2ccccc2n1	368106299	CZGQQPJTAOZZJR-SJCJKPOMSA-N	311.341	1.422	50	20	DDGD	
CCOc1cc(NC(=O)C(=O)NNC(=O)CC2CC2)ccc1C	274090331	UBYJSWQQKOAJHW-UHFFFAOYSA-N	319.361	1.280	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCc1c[nH]nc1C)c1ccccc1	274552885	DUKWVYPUBJFDBD-AWEZNQCLSA-N	315.377	1.742	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@H](OC)C2CC2)cc1	279206419	BHDFHNKTQSJHGZ-OAHLLOKOSA-N	306.362	1.200	50	20	DDGD	
N#CC1=CCN(C(=O)Cc2cc(F)cc3c2OCOC3)CC1	272719796	ZTWAFQVQXZSYSX-UHFFFAOYSA-N	302.305	1.917	50	20	DDGD	
CC#CCCCC(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C	274571594	XYTRTURWMMYIGN-NSHDSACASA-N	311.382	1.241	50	20	DDGD	
C=C(C)[C@H](CC(=O)NNC(=O)Cc1ccccc1F)OCC	270054337	NDJVRIILBDSCDL-AWEZNQCLSA-N	308.353	1.887	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1cccc2[nH]ccc12	274257390	VZEJKSFRZPUPGG-UHFFFAOYSA-N	318.333	1.662	50	20	DDGD	
COC1(CC(=O)NNC(=O)COc2ccccc2F)CCC1	276673055	JMRITXWNHDOJLV-UHFFFAOYSA-N	310.325	1.311	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(-c2nnco2)ccc1C	276042424	NPOLCNYZGOKTGG-UHFFFAOYSA-N	318.337	1.743	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1cccc(C(=O)NC2CC2)c1	272356614	PMMJHGKLWJJSIF-UHFFFAOYSA-N	316.361	1.532	50	20	DDGD	
Cc1ccn(C[C@](C)(O)C(=O)NNc2ccc(F)cc2)c(=O)c1	279543432	MAGSXGVHMPQNIF-INIZCTEOSA-N	319.336	1.190	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2CCCc3c2cnn3C)n1	272392351	IQEUPCJKUSYBHD-LLVKDONJSA-N	316.365	1.527	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1csc(Cl)c1	281267287	PITKLQUCILTYEN-UHFFFAOYSA-N	301.677	1.908	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)Nc2cc(F)cc(F)c2)O1	283680791	HJUAZEIGEFPWFS-DNSOKLHBSA-N	313.304	1.931	50	20	DDGD	
CO[C@H](CNC(=O)OC(C)(C)C)C(=O)NNc1ccc(C)cc1	289365320	AQKLSFQNOHAMIE-CYBMUJFWSA-N	323.393	1.978	50	20	DDGD	
CCCN(NC(=O)CCN1CCCC1=O)C(=O)OC(C)(C)C	804592821	JBKZNSOAVPHJLQ-UHFFFAOYSA-N	313.398	1.677	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)COc1ccc(OC)cc1)C(C)C	297994480	NPUDBQQCHWJLPQ-CQSZACIVSA-N	319.361	1.062	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H](F)C(F)(F)F)cc1OC	809950732	XRIDRHZIKJMEKJ-SECBINFHSA-N	324.230	1.365	50	20	DDGD	
Cc1cccnc1C(F)(F)C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	293773767	AZPHIHVISPGGDC-UWVGGRQHSA-N	313.304	1.197	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@@H]2CC2(F)F)o1	294597224	QZOXFJUZFOOIQO-JTQLQIEISA-N	315.320	1.538	50	20	DDGD	
Cc1cccc2c(CC(=O)NNC(=O)[C@H]3CCCCO3)c[nH]c12	295673228	XFGBOKBCHVWWQO-CQSZACIVSA-N	315.373	1.735	50	20	DDGD	
O=C(NCc1ccnc(OC(F)F)c1)NNc1ncccn1	807257644	QPRSEYMQDGUXAZ-UHFFFAOYSA-N	310.264	1.299	50	20	DDGD	
CCCCN(C)C[C@H](C)NC(=O)NNc1nc(C)cc(OC)n1	291001114	SXKJEZHLSAHGQY-LBPRGKRZSA-N	324.429	1.540	50	20	DDGD	
O=C(CCc1cccnc1)NNc1ccc(-n2ccnc2)nn1	804950617	AVZHXKFZTSWRDD-UHFFFAOYSA-N	309.333	1.133	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)[C@@H]1CCCCO1)Oc1ccccc1	296435605	NXKALFRTUJRKCC-OCCSQVGLSA-N	321.377	1.353	50	20	DDGD	
CCn1nc(NC(=O)NNC(=O)[C@@H]2CCCO2)cc1C1CC1	292790658	QOWOZLAIEPCNNY-NSHDSACASA-N	307.354	1.112	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)Nc2ccc(OC)cc2)cn1	802054978	CCTAPBODCDAJAM-UHFFFAOYSA-N	310.313	1.538	50	20	DDGD	
CCCN[C@H](C)C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	294768676	MNINHLIYAJIHSG-LLVKDONJSA-N	315.377	1.226	50	20	DDGD	
Cc1cc2ncc(C(=O)NNC(=O)OC(C)(C)C)c(C)n2n1	298578012	JSJQIMWCJANHTO-UHFFFAOYSA-N	305.338	1.516	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H](C)C(CC)CC	807371753	PGPGIZQANQDATL-LLVKDONJSA-N	302.415	1.995	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1c(OC)cnc2ccccc12	801841906	CPBKYKRTJBZMAR-UHFFFAOYSA-N	316.361	1.988	50	20	DDGD	
O=C(COCc1cccnc1)NNc1nccnc1C1CCC1	807778936	HGICNPYVRGRLMP-UHFFFAOYSA-N	313.361	1.799	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1cc(C(F)(F)F)ccn1	295241600	CYKDEVCXUWAZQN-UHFFFAOYSA-N	320.271	1.680	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccnc3ccncc23)n1	806901861	NLJJUOPQPAGNSB-UHFFFAOYSA-N	309.333	1.243	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1cc(O)cc(C(F)(F)F)c1	814956411	VVORPGUIBKDHPP-UHFFFAOYSA-N	312.251	1.827	50	20	DDGD	
CN(C)c1cc(C#N)cc(C(=O)NNc2ncncc2Cl)c1	816339835	MYEKJYQVTXDCRR-UHFFFAOYSA-N	316.752	1.825	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@H](C)c1ncc(C(=O)OC)s1	818996530	HJCZEUUUOHDUNR-WSQKDGNHSA-N	309.347	1.551	50	20	DDGD	
O=C1CCCCC[C@@H](C(=O)NNC(=O)Cc2ccncc2)C1	813470529	LKGMERRMVKGXSG-CYBMUJFWSA-N	303.362	1.311	50	20	DDGD	
CC(C)c1ccc(C(=O)NNc2ccnc(N(C)C)n2)nc1	810427534	LRIBGYUBXPBQRY-UHFFFAOYSA-N	300.366	1.818	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@@H]1CCCSC1	810007500	JYSOINJIYXWIKN-LLVKDONJSA-N	323.418	1.398	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCCc3ccc(N)cc32)CC1	814913712	TWXZLGVHGVNXBN-UHFFFAOYSA-N	301.394	1.266	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@H]2CCCOC2)cc1	727723874	VBVVHDSPGWUFBZ-LBPRGKRZSA-N	308.403	1.661	50	20	DDGD	
CCc1nnsc1C(=O)NNc1nc(-c2cccnc2)no1	728076709	MUWQJVLMUKKKKQ-UHFFFAOYSA-N	317.334	1.302	50	20	DDGD	
COC(=O)N(C)NC(=O)c1nn(-c2c(F)cccc2F)cc1C	495625857	NESHCZCEHKLKKU-UHFFFAOYSA-N	324.287	1.802	50	20	DDGD	
CN(C)c1cccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1	825879363	LNSLBJVQXXSPKS-UHFFFAOYSA-N	323.360	1.690	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N(C)CCc1ccccc1F	827297619	FJNNPIRZFFAXDD-WCQYABFASA-N	323.368	1.466	50	20	DDGD	
CN(CC(=O)NNc1cc(Cl)nc(N)n1)CC(C)(C)C	821833468	TYFJBYFBCCPICO-UHFFFAOYSA-N	300.794	1.133	50	20	DDGD	
COCCN(C(=O)/C(C#N)=C/c1cnn(C)c1)[C@@H]1CC[C@@H](C)C1	491135813	UXIKVSWLLDHZAZ-BIRNAEHNSA-N	316.405	1.991	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1ccccc1	495266865	VARYFJZDIOHCKG-NSHDSACASA-N	321.377	1.462	50	20	DDGD	
COc1ccc(NC(=O)NN(C)C2CC2)c(S(C)(=O)=O)c1	824365812	BAVNYUROJRPRDU-UHFFFAOYSA-N	313.379	1.229	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)C2CC2)CC1)c1cc2ccccc2o1	826689114	HTUCJAXLACUHFM-UHFFFAOYSA-N	312.325	1.953	50	20	DDGD	
CCN(CCO)NC(=O)c1ncoc1-c1ccc(OC)cc1	823884900	ODKSWWSQLLAFMP-UHFFFAOYSA-N	305.334	1.309	50	20	DDGD	
CC(=NNC(=O)c1cccnc1)c1ccc(-c2nn[nH]n2)s1	823953520	DUHHEMVULRLRQY-UHFFFAOYSA-N	313.346	1.477	50	20	DDGD	
Cc1cccc(CC(=O)NN(C)[C@H](C)CO)c1Br	823907033	GAAUMYUWPAIPMG-SNVBAGLBSA-N	315.211	1.644	50	20	DDGD	
CC(C)(C)C1CC(N(C(=O)c2cccc(B(O)O)c2)C2CC2)C1	585001901	HPJWIBYMEJSHJV-UHFFFAOYSA-N	315.222	1.796	50	20	DDGD	
Cc1cnc([C@H](C)NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)s1	826131932	XUMVTIDJEJIQII-GUBZILKMSA-N	312.395	1.268	50	20	DDGD	
O=C(Nc1ccc(C2CCC2)cn1)c1ccc(B(O)O)c(F)c1	584994218	DWGGGBAHKBBYAX-UHFFFAOYSA-N	314.125	1.420	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1)c1ccc(-c2nn[nH]n2)cn1	826447528	JZIXFTGHCYVEIW-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1	823951920	NXFINGJUKNVDDW-WFASDCNBSA-N	309.385	1.134	50	20	DDGD	
C[C@H](c1ccc(-n2cncn2)cc1)N(C)S(=O)(=O)CCl	820780257	QLNYSWCBRAJHOO-SNVBAGLBSA-N	314.798	1.786	50	20	DDGD	
CCO[C@H](C)c1nc(COc2ccc(B(O)O)cc2)cs1	584910237	YDVOXTBOMLLJOP-SNVBAGLBSA-N	307.180	1.499	50	20	DDGD	
CCn1cccc(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)c1=O	491012454	RIZZYEOBTIXXDQ-GDNBJRDFSA-N	323.352	1.797	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2ccc(N3CCCCC3)o2)cn1	735412007	GVUJNQRVXRPQCA-UHFFFAOYSA-N	301.350	1.767	50	20	DDGD	
Cc1cc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c(C)n1C	826260141	YGGDYMUPXZCQFB-UHFFFAOYSA-N	311.349	1.579	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)c(C)c1)c1cnccn1	734745877	QPBFMGQVXGWJHM-UHFFFAOYSA-N	311.345	1.572	50	20	DDGD	
C[C@H](CC(=O)O)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	827304639	YVMVHQXUGBYYBA-SECBINFHSA-N	308.338	1.016	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccc(-c2nnnn2CC)c1	494366506	WHEFDWGBMKLZMU-UHFFFAOYSA-N	319.325	1.143	50	20	DDGD	
CCOC(=O)NNC(=O)c1cccc(-c2nnc(COC)o2)c1	494640711	LUUDNVICTXCYOI-UHFFFAOYSA-N	320.305	1.274	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@]1(Cl)C[C@H]2CC[C@H]1O2	906632781	WATLOPJOZIHXKU-BCQZVRRWSA-N	324.764	1.385	50	20	DDGD	
COCC(COC)NC(=O)NNC(=O)CCCc1ccccc1	836274376	KLBDXCHLKRETIR-UHFFFAOYSA-N	323.393	1.001	50	20	DDGD	
CNC(=O)C[C@@H](C)NC(=O)NNc1cc(F)c(F)c(F)c1	838696612	FXSNCCIXXJFVRB-ZCFIWIBFSA-N	304.272	1.255	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H](C)OCC2CC2)ccc1F	837038458	UHJQBHNDYHFJOQ-VIFPVBQESA-N	310.325	1.871	50	20	DDGD	
CC(C)c1ccc(NNC(=O)Cn2ccc(O)nc2=O)cc1	837058271	MCXGQECYEHXCNE-UHFFFAOYSA-N	302.334	1.216	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNC(=O)[C@H]2CCCCO2)s1	833250530	IMYFUQHJVANNCC-SECBINFHSA-N	311.407	1.771	50	20	DDGD	
COc1ccc(C)cc1CC(=O)NNC(=O)[C@H]1CCCCO1	833260454	DHCBOUNNMOZHBE-CQSZACIVSA-N	306.362	1.263	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNC(=O)c2cc3c(s2)CCC3)C1	838748374	HOEDEXQRMNEBHW-PHIMTYICSA-N	323.418	1.748	50	20	DDGD	
COc1ccc(C(=O)NNc2cnccn2)c(OC)c1OC	734245250	NATBTALYNUWBPP-UHFFFAOYSA-N	304.306	1.259	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=CCCc2cnoc2)cc1C	834936185	UUJPVHNQBCCXMN-UHFFFAOYSA-N	314.345	1.965	50	20	DDGD	
O=C(NN[C@@H](C(=O)O)c1cccnc1)c1cc2c(s1)CCC2	833149690	YXAKJYBWIMNGHC-CYBMUJFWSA-N	317.370	1.692	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNc1cnnc2ccccc12	839683991	LNMMONVIHGLTKB-NSHDSACASA-N	301.350	1.221	50	20	DDGD	
C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)NNc1ccc(F)cn1	731366324	ZASMUIHMFGRCOI-WDEREUQCSA-N	323.372	1.636	50	20	DDGD	
C[C@H]1CC(=NNC(=O)C(=O)NCc2ccc(Cl)cc2)[C@H](C)O1	834969234	UJCSSLNSHPLAOF-UWVGGRQHSA-N	323.780	1.626	50	20	DDGD	
CCOc1ccc(COC(=O)/C(C#N)=C/c2cnn(C)c2)nc1	837970235	ACKRVAOIVRNBBN-AWNIVKPZSA-N	312.329	1.864	50	20	DDGD	
CC1(C)CCC[C@H](CNC(=O)c2cc(B(O)O)ccc2F)C1	585001598	YDMRPELWVVCFEH-NSHDSACASA-N	307.174	1.452	50	20	DDGD	
OB(O)c1ccc(CNC[C@H]2CCC[C@H](C(F)(F)F)C2)cc1	585026673	PXNYJJFGACTXPK-STQMWFEESA-N	315.144	1.825	50	20	DDGD	
CN1[C@H]2CC[C@H]1CN(C(=O)[C@]1(C)C[C@H]1Br)CC2	906867385	NESHUXKGLUMOJY-MEWQQHAOSA-N	301.228	1.855	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1csc(Nc2ccccn2)n1	736066877	WJYOIBIBNYFZJW-UHFFFAOYSA-N	305.363	1.699	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1cccnc1)c1ccc2ccccc2n1	731866671	XZTKDELAFLBNTF-OAHLLOKOSA-N	322.324	1.124	50	20	DDGD	
O=C(c1cc(-c2cccc(F)c2)no1)N1CC[C@H](B(O)O)C1	585076624	NVBCTQOBIBDROC-JTQLQIEISA-N	304.086	1.170	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)C(=O)NNc1ccccc1[N+](=O)[O-]	837307500	ULNJZAHNOAAPHE-JTQLQIEISA-N	303.322	1.650	50	20	DDGD	
CC(C)[C@H](CO)[C@H](NS(=O)(=O)CBr)C(C)C	832237840	XTGSTQXDEIXDRA-VHSXEESVSA-N	316.261	1.547	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H](CC(C)C)NC(=O)O	738115666	NEPGOVKQQFGJPD-LLVKDONJSA-N	323.349	1.139	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCCC(=O)N(CC)CC	732755738	VWQNEDUBEQQEIJ-UHFFFAOYSA-N	300.403	1.156	50	20	DDGD	
Cc1ccc(C)c(C=NNC(=O)Cc2cc(O)nc(S)n2)c1	730587840	RKEUHNBZJFFAQC-UHFFFAOYSA-N	316.386	1.781	50	20	DDGD	
CO[C@@H](CS(=O)(=O)NCCCSC#N)c1ccccc1	916999191	CZXLRLHDKPPCNP-ZDUSSCGKSA-N	314.432	1.898	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)C(=O)NNC(=O)Nc1ccccc1	837606304	YMZSCPQKDPHZQQ-NSHDSACASA-N	301.350	1.452	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CN2CCC(C)CC2)c(F)c1	837207632	QRPCJZJYNJQRJZ-UHFFFAOYSA-N	323.368	1.787	50	20	DDGD	
CCC(=O)N[C@@H](CCSC)C(=O)NCC(Cl)Cl	837649014	KVXUVKNRLRFPNJ-ZETCQYMHSA-N	301.239	1.554	50	20	DDGD	
Cc1nc(C(C)C)nc(O)c1C(=O)NNC(=O)OC(C)(C)C	747348495	MBWWGNSPDBDIJS-UHFFFAOYSA-N	310.354	1.784	50	20	DDGD	
CCC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1cnn(C)c1	741808698	AJEAUGAKMSGPKR-UHFFFAOYSA-N	317.305	1.578	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccc(N(C)C)c1)C(F)(F)F	742487390	PUBWIIXYECMJAN-MRVPVSSYSA-N	303.284	1.712	50	20	DDGD	
O=C(NCC[C@H]1C[C@H]2CC[C@H]1C2)NNC(=O)c1ncccn1	841576630	CLVQESJDAPPKJT-SRVKXCTJSA-N	303.366	1.247	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2cccn2C)n1	915915264	WULYLVWTCRQGHM-UHFFFAOYSA-N	303.391	1.674	50	20	DDGD	
CCN(CC)CCC(=O)NN=C(C)c1cccc2c1OCO2	841611800	ZRUAJSYXKUTRGS-UHFFFAOYSA-N	305.378	1.987	50	20	DDGD	
C[C@H]1CC(=NNC(=O)COc2ccc(C#N)cc2)c2ncnn21	841607186	RNPPRBUQIAOJPK-JTQLQIEISA-N	310.317	1.014	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C2CC3(CCC3)C2)nc1C	843848220	DNJDAJPKYUCOLW-UHFFFAOYSA-N	318.377	1.985	50	20	DDGD	
COc1ccc(NNC(=O)c2cnc3n2[C@@H](C)CCC3)nc1	845989489	JFEQTLKPIGCCPJ-JTQLQIEISA-N	301.350	1.941	50	20	DDGD	
CCCN1CCC[C@@H]1C(=O)NNC(=O)COc1ccc(C)cc1	749560203	IINARPJVQSENSE-OAHLLOKOSA-N	319.405	1.396	50	20	DDGD	
COc1ccc(OCC(=O)NN=C[C@@H](OC)[C@@H]2CCOC2)cc1	841607744	YDWJFZVQNAWSRY-IUODEOHRSA-N	322.361	1.228	50	20	DDGD	
Cn1ccnc1[C@@H](CC(=O)NNc1ccccn1)C(F)(F)F	847668211	MIYHMKCQNFLCCF-SECBINFHSA-N	313.283	1.994	50	20	DDGD	
C[C@H](CC(=O)NNc1ccccc1S(C)(=O)=O)n1ccnc1	845830952	SRPGHFPKQBTWAJ-LLVKDONJSA-N	322.390	1.381	50	20	DDGD	
C=C(Cl)CNC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	743621270	ZWXNKOSBWHYKDH-UHFFFAOYSA-N	311.773	1.841	50	20	DDGD	
CCC(=NNC(=O)CCc1ccccc1O)c1cnn(C)c1	741809685	HYBYYVYHTBLHNP-UHFFFAOYSA-N	300.362	1.989	50	20	DDGD	
C[C@H]1CCCc2ncc(C(=O)NNC(=O)NCc3ccco3)n21	845297029	MRXTURLDOXPYNY-JTQLQIEISA-N	317.349	1.518	50	20	DDGD	
Cc1occc1C=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1	841614718	PDZOMFWDVAMNQA-RWMBFGLXSA-N	307.394	1.783	50	20	DDGD	
CC(C)OCCNC(=O)NNc1ncc(Br)cn1	847350922	IFDGICAYBQDQNK-UHFFFAOYSA-N	318.175	1.290	50	20	DDGD	
C#CCOc1ccc(C(C)=NNC(=O)[C@@H]2CCO[C@H]2C)cc1	842552084	HBZWSPJYEHIRFN-XJKSGUPXSA-N	300.358	1.964	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NC2CCC(N)CC2)ccc1F	841945524	PXAOJDQQSIKVAP-UHFFFAOYSA-N	324.356	1.508	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	841021942	MZJVHPNPOFNSPG-AWEZNQCLSA-N	322.361	1.280	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNc2ccc(CC(=O)OC)cc2)C1	845255403	PRSPWOJAIJMZSO-OKILXGFUSA-N	321.377	1.596	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@@H]2CCCN2C)cc1	748555886	WOWHFDZWLOGUQX-ZDUSSCGKSA-N	307.419	1.329	50	20	DDGD	
CO[C@@]1(C=NNC(=O)[C@@H](C)Oc2ccccc2F)CCOC1	841612606	LXQRTPOQGHRFBZ-IAQYHMDHSA-N	310.325	1.501	50	20	DDGD	
NC[C@@H](NC(=O)NNC(=O)CCc1ccccc1)C1CCCC1	841984515	DTVMSUONRDSAGJ-OAHLLOKOSA-N	318.421	1.467	50	20	DDGD	
CCC(=NNC(=O)Cn1nnc(-c2ccccc2)n1)[C@H]1C[C@H]1C	841602939	IGBFSSQHKTUTOK-YPMHNXCESA-N	312.377	1.878	50	20	DDGD	
Cc1cccnc1NNC(=O)NC[C@H](C)C(=O)OC(C)(C)C	848668930	UHEDKEAAWIZVBZ-NSHDSACASA-N	308.382	1.994	50	20	DDGD	
C[C@@]1(CNc2ncc([N+](=O)[O-])c(N)n2)C[C@H]1Br	856784719	AUUVFTKXPSXDGT-MUWHJKNJSA-N	302.132	1.552	50	20	DDGD	
CC[C@H]1COC(C)(C)CN1C(=O)/C(C#N)=C\c1cnn(C)c1	846376217	SSCGYGIMTOJSQO-XMRSSTEGSA-N	302.378	1.743	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@@H]2CCSC2)cc1	845013046	LYTUKGAORPLSME-GFCCVEGCSA-N	309.391	1.534	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccc(F)c(C(F)(F)F)c1	755612427	WDQDAHWESZCOGA-UHFFFAOYSA-N	319.258	1.819	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2cnc(C)n2C)cc1	853264802	SCKYQNHVARTHTL-UHFFFAOYSA-N	302.334	1.266	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(O)c(F)c2)cc1	755598292	HDOLGFAMVXCOTD-UHFFFAOYSA-N	315.304	1.929	50	20	DDGD	
C[S@@](=O)C1(CNC(=O)NNc2ccc(Cl)cn2)CC1	852309054	VJGIXIXRSSPCRB-LJQANCHMSA-N	302.787	1.272	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)COC(F)(F)F)c1	929247792	ANLJHIZFSNCYBN-UHFFFAOYSA-N	320.267	1.366	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H](c2cncn2C)N(C)C)cc1F	856228319	SNMPVLWVAUGXOU-CQSZACIVSA-N	305.357	1.614	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@H](C(=O)O)C2CCC2)o1	854235721	DKZJCQFXYWZKCO-JTQLQIEISA-N	309.322	1.033	50	20	DDGD	
CC(C)N(C)CCNC(=O)NC[C@]1(C)C[C@H]1Br	856833403	YNQUPFVMBQDIOQ-PWSUYJOCSA-N	306.248	1.799	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1ncc(Cl)cn1	857357113	HKPQLVHVMAVBHB-UHFFFAOYSA-N	301.734	1.099	50	20	DDGD	
O=C(NN=Cc1cc2ccccc2o1)N[C@@H]1CCS(=O)(=O)C1	920384641	NLBAGMLOZXFINE-LLVKDONJSA-N	321.358	1.253	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1	753038501	PEWVNPYJKJPCDL-JTQLQIEISA-N	324.337	1.331	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C[C@@H](C)SC)c1	756864681	XIWYKJVXVURWCD-SECBINFHSA-N	312.391	1.606	50	20	DDGD	
COc1ccc2c(c1)CC(=NNC(=O)CN1CCCC1=O)CC2	752720028	FGQIIYHQWNKECW-UHFFFAOYSA-N	315.373	1.279	50	20	DDGD	
Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CC=C(C#N)CC1	859099711	WDXDMMYTCCHDHU-UHFFFAOYSA-N	320.296	1.283	50	20	DDGD	
CCOCCNC(=S)NNC(=O)c1ccc2ccccc2c1	750993568	BICDZJSBFZEJQU-UHFFFAOYSA-N	317.414	1.985	50	20	DDGD	
CNC(=S)N(C)NC(=O)Cc1cccc(Br)c1	854925792	MRFQOEOIXNCRSQ-UHFFFAOYSA-N	316.224	1.459	50	20	DDGD	
CC(=O)N(C)c1ccc(CNC(=O)NNC(=O)C(C)(C)C)cc1	858206637	RJYHLEWWOHKABO-UHFFFAOYSA-N	320.393	1.546	50	20	DDGD	
O=C(NN=Cc1cncc2ccccc12)[C@@H]1CN2CCC[C@@H]2CO1	853388971	RRJYUPQYNSILBX-WBVHZDCISA-N	324.384	1.548	50	20	DDGD	
CC1(C)OCc2cc(C=NNC(=O)c3cc[nH]n3)ccc2O1	853392140	JEWITYRLTNVRAT-UHFFFAOYSA-N	300.318	1.819	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)/C(C)=C/C(C)(C)C	854388532	OAXGUWRKLYXBNE-ZHACJKMWSA-N	300.399	1.915	50	20	DDGD	
C[C@@H]1CN(C(=O)NC[C@]2(C)C[C@@H]2Br)CC[C@@H]1N	857105743	QYWDVKQTCVMZGV-WDCWCFNPSA-N	304.232	1.539	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)NC2CCCC2)c2ccccc21	858852940	BWXFGFPJZMPWGB-UHFFFAOYSA-N	301.350	1.460	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)N[C@@H]1CCOC1	752251965	JARZTBUJMRTZTM-SECBINFHSA-N	313.741	1.082	50	20	DDGD	
CCn1ccc(CNC(=O)NNC(=O)c2cc(C)cs2)n1	858537947	YXYHEXOKLFQCRO-UHFFFAOYSA-N	307.379	1.417	50	20	DDGD	
CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)NNC(=O)C1CCC1	852691184	FPYCAJKKHMDTLX-IAQYHMDHSA-N	311.382	1.239	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CCCF)cc1	854220444	SLHVVXOYQGYNPT-NSHDSACASA-N	312.341	1.750	50	20	DDGD	
C=C[C@@](C)(O)C(=O)NNc1cc(OC)ccc1Br	854946203	GWHJKJGDKDENQQ-GFCCVEGCSA-N	315.167	1.838	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(CF)cc2)n1	854233032	WPZUHDNXZGGJLZ-UHFFFAOYSA-N	304.325	1.431	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)c2ccc(OC)c(OC)c2)co1	753611022	MCQKYKFAUFGEFK-UHFFFAOYSA-N	319.317	1.329	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)c2cccc(Cl)n2)n(C)n1	857326051	QCEFKJYGYNMABC-UHFFFAOYSA-N	321.768	1.667	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)N=c1cc[nH]cc1)C1CCCC1	852659399	RCDRGHZSVAMLAZ-ZDUSSCGKSA-N	321.381	1.044	50	20	DDGD	
CN(C)c1nccc(NNC(=O)CC[C@H]2CC2(Cl)Cl)n1	857133339	WAMQEXZGRKDDNS-QMMMGPOBSA-N	318.208	1.960	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC([C@@H]2CCCCO2)CC1	852592828	WOAIPPTVJPJDQK-AWEZNQCLSA-N	311.426	1.071	50	20	DDGD	
C[C@@H]1CN(C2CC2)CC1=NNC(=O)c1cccc(N(C)C)c1	755881509	UWDBOCOCDFAMBP-GFCCVEGCSA-N	300.406	1.953	50	20	DDGD	
O=C(NC[C@@H]1CC1(Cl)Cl)NNC(=O)c1cccc(F)n1	851969529	HAQTTWPLQGUJFH-LURJTMIESA-N	321.139	1.359	50	20	DDGD	
CC(C)Nc1ccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)cn1	855096924	FSXTVVYVYSUCFN-JTQLQIEISA-N	321.450	1.809	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1c(F)c(F)cc(F)c1F	753040734	KCDXRUHQHWKDFY-UHFFFAOYSA-N	323.246	1.110	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCc2cc(C)on2)c1	935299302	VAVFXHDMHPVRKJ-UHFFFAOYSA-N	303.318	1.846	50	20	DDGD	
O=C(NN=C(Cc1ccccc1)C(F)F)C(=O)N1CCCC1	769575006	NCUURNJUDOQRCY-UHFFFAOYSA-N	309.316	1.589	50	20	DDGD	
CCC[C@@H]1C(=O)NCCN1C(=O)[C@H](Br)C(C)(C)C	768367148	CZFCKRNIKXOFQK-ZJUUUORDSA-N	319.243	1.923	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNc1ncc(Br)cn1	862145043	LSBMWJZNZWITOT-SECBINFHSA-N	317.187	1.887	50	20	DDGD	
Cc1cc(C)cc(NC(=O)C(=O)NNC(=O)CC(F)(F)F)c1	764116950	QKAGJTHQIHBBQK-UHFFFAOYSA-N	317.267	1.342	50	20	DDGD	
C[C@@H](NNC(=O)CCNC(=O)Cc1ccccc1)C(F)(F)F	862306582	MDBMTBTVOPPRRF-SNVBAGLBSA-N	317.311	1.307	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)Cc1ccccc1OC)C1CC1	861765668	WQCSDBZRAMCSGZ-OAHLLOKOSA-N	306.362	1.200	50	20	DDGD	
O=C1NCCC[C@@H]1C(=O)NNc1ccc(OC(F)(F)F)cc1	866872667	ABFUVEKIUNEOET-JTQLQIEISA-N	317.267	1.555	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)NC/C=C\C1CC1	1118502678	MBRBVEAPBDTQNJ-XQRVVYSFSA-N	324.425	1.226	50	20	DDGD	
C=C(CN(C)C)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	763923673	PXUWHPWZQFPUNA-UHFFFAOYSA-N	305.422	1.468	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2c3c[nH]nc3CC[C@@H]2C)n1	879829493	RKSOWIOZTIFBLJ-XPTSAGLGSA-N	313.361	1.240	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=Cc1ccc(F)c(F)c1	763196055	RQVXCUVHOXFYJT-UHFFFAOYSA-N	318.283	1.240	50	20	DDGD	
COc1ccc(C(=O)NNc2ccccn2)c(OC)c1OC	777473653	HADNNESOUWLIRJ-UHFFFAOYSA-N	303.318	1.864	50	20	DDGD	
C[C@H](C1CC1)n1cc(NC(=O)NNC(=O)CC(F)(F)F)cn1	779508358	WWYUVAYXQDBVLA-SSDOTTSWSA-N	319.287	1.959	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@H]1CCCCN1C	873769905	SMQHIADWNCVJQW-GFCCVEGCSA-N	322.434	1.497	50	20	DDGD	
CNC(=O)CCCCC(=O)NN=c1sc2ccccc2n1C	779590272	SVODHUIVFZEIJK-UHFFFAOYSA-N	320.418	1.478	50	20	DDGD	
C[C@H]1COCC1=NNC(=O)CSc1ccccc1[N+](=O)[O-]	1119357458	URMXIWPTQDMTNU-VIFPVBQESA-N	309.347	1.825	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2ccn(CC(F)F)n2)nn1	1116864053	XOWFYKOWECUTJO-UHFFFAOYSA-N	324.335	1.993	50	20	DDGD	
CC[C@H](NC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)C(=O)O	776632041	ZAEPGWVUQAEVMI-APOZVJGGSA-N	304.184	1.920	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(O)nc(CC(C)C)c1	777372341	RJDPMNJDVDGUFR-UHFFFAOYSA-N	308.382	1.730	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(OC(F)F)cn2)n1	773725990	FFIRGNKRRWMLBC-UHFFFAOYSA-N	310.260	1.844	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ccccc2)c(OC)c1	775529556	MWYZXLWKUNCATR-UHFFFAOYSA-N	315.329	1.786	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1CCN(c2ccccc2F)C1	875615472	OICRFDVJNQCTHB-SNVBAGLBSA-N	310.329	1.317	50	20	DDGD	
CC(C)CC(CC(C)C)NC(=O)NNC(=O)C1CCNCC1	1118027045	PCIKXDUTEKDKHL-UHFFFAOYSA-N	312.458	1.777	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@@]2(C)C[C@@H]2Br)cc[nH]1	875758396	LWASVURVNKYDBB-CMPLNLGQSA-N	313.199	1.612	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)OCc2nc(O)n[nH]2)cc1	774882173	GCPIKURMOAWPJN-UXBLZVDNSA-N	300.274	1.169	50	20	DDGD	
COc1ccc([C@@H](C)CC(=O)NNC(=O)c2cccnn2)cc1	882059442	WYJZWPISFWSOSR-NSHDSACASA-N	314.345	1.440	50	20	DDGD	
CC[C@@]1(CO)CCCN([C@@H](C)C(=O)NNC(=O)CC(C)C)C1	778331139	MAHJDSMLNSTXPN-XJKSGUPXSA-N	313.442	1.053	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)c1cnc(O)c([N+](=O)[O-])c1	770569825	IVASSUFTXKPRJS-UHFFFAOYSA-N	309.669	1.501	50	20	DDGD	
CCOc1nc(C(=O)NNC(=O)COc2ccccc2F)co1	771868117	ONCXPIWGSDQPMX-UHFFFAOYSA-N	323.280	1.052	50	20	DDGD	
CS[C@@H](C)CCC(=O)NNC(=O)COCc1ccccc1	773301693	DRYXVETUVVCQRS-LBPRGKRZSA-N	310.419	1.882	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)C1CCOCC1)c1ccncc1	883576635	NQWLUARNLJKHPY-UHFFFAOYSA-N	320.393	1.116	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@@H]1CCCN1C1CCCC1	781813646	KUQKIYKATLCGTJ-LBPRGKRZSA-N	309.801	1.980	50	20	DDGD	
N[C@H](c1cn(/C(Cl)=C\CBr)nn1)[C@@H]1CCCO1	881311002	WCXNBWJJJGFFMK-RGEMJYGBSA-N	321.606	1.889	50	20	DDGD	
COC(=O)Cc1cccc(OS(=O)(=O)CCCCl)c1	881876354	GRRXUJFJAXYCSQ-UHFFFAOYSA-N	306.767	1.740	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1cccc2ccn(C)c12	788313982	DMAURLKKQJOYEK-UHFFFAOYSA-N	312.333	1.676	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)C1CCC(F)(F)CC1	788709637	SGXFKHRMCQRBLK-NSHDSACASA-N	322.377	1.739	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1ccc(Oc2cnccn2)cc1	785458176	PUPVPSYGXYWIJW-UHFFFAOYSA-N	300.318	1.490	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCC(=O)NCc1ccccc1F	786675744	LVKDCZKMQXCWCC-NTUHNPAUSA-N	302.305	1.845	50	20	DDGD	
CC(C)[C@H]1CCC[C@@H](NC(=O)NNC(=O)C2CCOCC2)C1	883325844	LDWLFOGZJZPEJD-UONOGXRCSA-N	311.426	1.958	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1CCC2(CCCO2)CC1	788015623	LXQBESFNJDQINH-XPCCGILXSA-N	323.437	1.550	50	20	DDGD	
N#CC1=CCN(C(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)CC1	780688010	UPQSVZGXXZPZAB-CQSZACIVSA-N	301.390	1.850	50	20	DDGD	
CCN1CCO[C@@H](C(=O)NNc2c(F)cc(F)cc2F)C1	885151200	YZIYRXFFVJAVPO-LLVKDONJSA-N	303.284	1.268	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)ccn1	789869740	RHHNLYHVOJKTSI-UHFFFAOYSA-N	313.357	1.847	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCCCc1ccsc1	1121865824	YGKQIALCCQTZOD-UHFFFAOYSA-N	318.402	1.649	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H]1CCC[C@@H]1OC	1120487871	KDFQUEZTABHQMP-PWSUYJOCSA-N	323.418	1.828	50	20	DDGD	
Cc1cc(C(=O)NN=c2cc[nH]cc2)nn1-c1cccc(C#N)c1	780753865	SLOTUDOPQIEHJE-UHFFFAOYSA-N	318.340	1.626	50	20	DDGD	
O=C(NCCN1CCNC1=O)NNc1cc(F)cc(Cl)c1	891068329	OPSVAELSKAMYPS-UHFFFAOYSA-N	315.736	1.130	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccnc(Cl)c1F	899996471	MLWDQKJETUSLPY-UHFFFAOYSA-N	304.778	1.782	50	20	DDGD	
CCn1cccc(CNC(=O)NNc2cc(Cl)ccn2)c1=O	789842280	VECUKIHVCQFUJY-UHFFFAOYSA-N	321.768	1.743	50	20	DDGD	
O=C(Cc1ccccc1F)NNc1ccc(-n2ccnc2)nn1	788176969	CZRQQJAPYMDNDZ-UHFFFAOYSA-N	312.308	1.487	50	20	DDGD	
CC(C)Cn1cc(NC(=O)C(=O)NNc2ccccn2)cn1	784791913	ARGVYXILOVOJLG-UHFFFAOYSA-N	302.338	1.016	50	20	DDGD	
CN1CCN(C(=O)NN=C2CC(C)(C)Cc3occc32)CC1	790174491	QSRBFNLWWROBEX-UHFFFAOYSA-N	304.394	1.913	50	20	DDGD	
CC[C@@H](C)CC[C@H](O)CC(=O)NNC(=O)c1cccc(C)n1	794087862	SLBZTGWTJGVQCN-YPMHNXCESA-N	307.394	1.728	50	20	DDGD	
C[C@@H]1CCN(CCNC(=O)NNc2ncnc3ccsc23)C1	897443153	RWAMBLLNWAUXGR-SNVBAGLBSA-N	320.422	1.659	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1csc(C(C)C)n1	790176143	NDHDJUXXGRSWTJ-UHFFFAOYSA-N	309.439	1.948	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)c2cnccn2)cc1	791510875	XREVCPDYQHISND-MDWZMJQESA-N	323.308	1.818	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cnn([C@H](C)CC)c1C	792269860	WVSRZEKDGJUHEZ-VHSXEESVSA-N	323.397	1.295	50	20	DDGD	
Cc1oc(C#N)cc1C(=O)NNC(=O)COc1ccc(C#N)cc1	797789132	BBVCAOVECOPLDG-UHFFFAOYSA-N	324.296	1.171	50	20	DDGD	
O=C(O)c1csc(C=NNC(=O)c2ccc(O)c(O)c2)c1	794551330	OVUUHHDDRIOYCC-UHFFFAOYSA-N	306.299	1.621	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1cnn(C(C)(C)C)c1	792376516	VYOPNDOCGBJRSH-UHFFFAOYSA-N	316.365	1.423	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)Cc1ccccc1)c1c[nH]c2ccccc12	792843190	LMZMQWHHATWQLV-INIZCTEOSA-N	323.352	1.533	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCSCC[C@@H]1C	794570988	UKSDGDLTWVLUGX-RYUDHWBXSA-N	301.456	1.396	50	20	DDGD	
O=C(NN=Cc1c(O)ccc(Cl)c1F)C(=O)N1CCCC1	790165668	QDQKDJPRJRMYDC-UHFFFAOYSA-N	313.716	1.257	50	20	DDGD	
COc1cccc2cc(C=NNC(=O)N3CCN(C)CC3)oc12	790173033	CHTLUNMZEXMZEE-UHFFFAOYSA-N	316.361	1.732	50	20	DDGD	
CC[C@H](C)CC[C@@H](O)CC(=O)NNC(=O)c1cccc(C)n1	794087859	SLBZTGWTJGVQCN-WCQYABFASA-N	307.394	1.728	50	20	DDGD	
O=C(NNc1cccc(F)c1)C(=O)Nc1cccc(Cl)n1	793034707	QNRJLTJNVKJYPX-UHFFFAOYSA-N	308.700	1.956	50	20	DDGD	
N#C/C(=C\c1ccc(Oc2cnccn2)cc1)S(N)(=O)=O	799893447	GYFRPBKDZKDESZ-KPKJPENVSA-N	302.315	1.422	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2cnnc3ccccc23)n1	1319172865	UGDRDEUADXWXSP-UHFFFAOYSA-N	322.328	1.141	50	20	DDGD	
CC(=NNC(=O)CCO)c1ccc(NC(=O)NC2CC2)cc1	1319074162	SRANXPSLNYENAF-UHFFFAOYSA-N	304.350	1.193	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccc2nnc(C(F)F)n2c1	1319805241	SRSLDKGUNYUKDI-UHFFFAOYSA-N	323.238	1.353	50	20	DDGD	
CCOC(=O)c1ncc(C(=O)NNc2ncncc2F)s1	1327964873	BUQOIRQRRVYXNM-UHFFFAOYSA-N	311.298	1.006	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc(C(F)(F)F)cn1	1321501800	IYWYRMALSWYOAF-UHFFFAOYSA-N	306.313	1.618	50	20	DDGD	
Cc1ncccc1CC(=O)NNC(=O)c1c[nH]c2ccccc12	1323462353	KEXPIYVQDORAJQ-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
O=C(CO[C@@H]1CCOC1)NNc1cccc(Br)n1	1325427066	IRNKMLAKRHRRLW-MRVPVSSYSA-N	316.155	1.093	50	20	DDGD	
O=C(Cn1c(=O)oc2ccccc21)NNc1ccc(Cl)nc1	1330088887	HCWQDJFNJJTRIQ-UHFFFAOYSA-N	318.720	1.786	50	20	DDGD	
C=CC[C@H](NC(=O)[C@]1(C)C[C@H]1Br)C(=O)OCC	1333269952	VWJVTKVBOHNADF-YGOYTEALSA-N	304.184	1.784	50	20	DDGD	
COC1(CC(=O)NNC(=O)c2n[nH]c3c2CCCC3)CCC1	1343545195	UKZYSYGOVQDDBT-UHFFFAOYSA-N	306.366	1.009	50	20	DDGD	
CC(=O)NC1CCC(C(=O)NN=c2cc[nH]cc2Cl)CC1	1348245640	XJEVQFHXOIGMLU-UHFFFAOYSA-N	310.785	1.295	50	20	DDGD	
C=C[C@H](COC)NC(=O)NNC(=O)[C@@H](CC)c1ccccc1	1342727023	GXXVERSMALPWPP-KGLIPLIRSA-N	305.378	1.712	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(C(F)(F)F)n(C)n2)o1	1528016523	AZZBLBSSBBNUAP-UHFFFAOYSA-N	316.239	1.415	50	20	DDGD	
CCC(=NNC(=O)C(=O)O)c1cc(F)cc(Br)c1	1604851528	GZEUEJILZYZPFJ-UHFFFAOYSA-N	317.114	1.903	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)NCCC(=O)O	1603099368	ARDSNNRURKQDEO-UHFFFAOYSA-N	301.734	1.354	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)c1cc(C(=O)O)nn1C	1600221530	WCSWMGBMRUJRSS-UHFFFAOYSA-N	308.725	1.837	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1604415814	GGBDPTMPFRVUMV-ONGXEEELSA-N	322.756	1.388	50	20	DDGD	
O=C(O)Cn1ccc(NC(=O)NNc2ncccc2Cl)n1	1602165262	CBHCVYFEEJALJG-UHFFFAOYSA-N	310.701	1.165	50	20	DDGD	
CCCC[C@@H](NC(N)=O)C(=O)NNc1cccc(C(=O)O)c1	1609963645	HHWOQKIJEFGKFA-LLVKDONJSA-N	308.338	1.055	50	20	DDGD	
O=C(O)[C@@H]1CCN1C(=O)[C@]1(c2ccccc2)C[C@@H]1Br	1601833979	OSCRGIDUXDJHLA-MJVIPROJSA-N	324.174	1.777	50	20	DDGD	
COc1ccc(C=O)cc1C(=O)NNc1ccccc1C(=O)O	1607242458	IIWISWCKYWWCEG-UHFFFAOYSA-N	314.297	1.963	50	20	DDGD	
Cc1ccoc1C(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1600605971	FGTZHVLVIWTSQA-UHFFFAOYSA-N	309.347	1.795	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)C23CC(C(=O)O)(C2)C3)o1	1609721096	MNNADJRVKKFXRR-UHFFFAOYSA-N	304.306	1.368	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@H](C(=O)O)C1)OCC(F)(F)F	1601553868	XXOKVMULNPSUES-RQJHMYQMSA-N	312.244	1.197	50	20	DDGD	
Cc1cnccc1CNC(=O)NNc1cccc(C(=O)O)c1	1610540813	PTHKOJPVWPNKTE-UHFFFAOYSA-N	300.318	1.915	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@H]1C(=O)NN=C1CCOC1(C)C	1549312061	ADYKZVUCEDBCLI-RISCZKNCSA-N	320.393	1.559	50	20	DDGD	
O=C(NNC(=O)c1cc(C(=O)O)on1)c1ccc(Cl)cc1	1610700291	OSHJSAVKJZODPH-UHFFFAOYSA-N	309.665	1.101	50	20	DDGD	
Cc1n[nH]c(C)c1CCC(=O)NNc1ncccc1C(=O)O	1574415786	ICGBCJSUBJDTLU-UHFFFAOYSA-N	303.322	1.196	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2CCNCC2(C)C)cc1	1579194490	PDZDZWKJEKQAJI-CYBMUJFWSA-N	320.393	1.027	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@H]2CC[C@@H](N)C2)cc(C#N)n1C	1579529548	KUCKDHIKIIGATA-JMIOORHUSA-N	311.389	1.356	50	20	DDGD	
N#CC1(C(=O)N2CC3(CCCN3C(=O)[C@@H](F)Cl)C2)CCC1	1843367498	HRZFALSEOBXFSL-SNVBAGLBSA-N	313.760	1.418	50	20	DDGD	
O=C([C@H]1CCCS1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843367167	KELGXZGFBCHTNN-ZJUUUORDSA-N	320.817	1.620	50	20	DDGD	
CCCC(=O)N1CCCC12CN(C(=O)[C@@H](C)Br)C2	1842658815	IPZXSOUEGPXCBG-SNVBAGLBSA-N	317.227	1.773	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)CCOC)C2	1841667914	XHXGZLRQRBBMCD-GFCCVEGCSA-N	316.829	1.634	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnc(C)[nH]1	1847911780	XURVXUGFOZBSJR-WXHSDQCUSA-N	324.812	1.551	50	20	DDGD	
C[C@H]1CN(C(=O)[C@]2(C)C[C@@H]2Br)CC[C@H]1C(=O)O	1599915040	NNLHSSWNMIWQGH-KIKITERTSA-N	304.184	1.729	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(F)c(C(=O)O)c1)c1ccnn1C	1593101314	CDFZFLLDJMBETB-QMMMGPOBSA-N	321.312	1.645	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(OCC(=O)O)cc1C	1596509359	IIQGMPHZSONMTH-DHZHZOJOSA-N	304.302	1.841	50	20	DDGD	
O=C(O)C1(C(=O)NNc2ccc(C(F)(F)F)cn2)CC=CC1	1594864463	CRKDCMVIALJVPE-UHFFFAOYSA-N	315.251	1.965	50	20	DDGD	
O=C(C[C@H]1CCCOC1)NNc1cccc(-c2nn[nH]n2)c1	1592824054	XWHQQOUPSRUXCJ-SNVBAGLBSA-N	302.338	1.127	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)N[C@H]2C[C@@H](C(=O)O)C2)nn1	1590493916	ROTIYDQRGORVRP-DTORHVGOSA-N	307.354	1.263	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NN=C1CC(C(=O)O)(c2ccccc2)C1	1776102511	ROUFMPAUSAPMJZ-CBVZESEGSA-N	316.357	1.700	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCCCO2)ccc1C(=O)O	1776077742	WJCLEKMJOUPNRJ-LBPRGKRZSA-N	306.318	1.413	50	20	DDGD	
Cn1cc(Cl)c(C=NNC(=O)c2ccc(C(=O)O)cc2)n1	1776101563	NYTUCUTULWPPPW-UHFFFAOYSA-N	306.709	1.536	50	20	DDGD	
CC(=NNC(=O)c1cn2c(n1)CCCC2)c1ccc(C(=O)O)o1	1776105597	VBHWEFSRZRASPA-UHFFFAOYSA-N	316.317	1.665	50	20	DDGD	
Cc1cc(CC(=O)NNC(=S)Nc2ccccc2Cl)[nH]n1	17514136	NXIIFOCNBSVNFV-UHFFFAOYSA-N	323.809	1.932	50	20	DDGD	
CCCc1nccn1CC(=O)NNC(=O)c1ccccc1Cl	158166472	USJLFQSHMQZHJN-UHFFFAOYSA-N	320.780	1.950	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2cccc(Br)c2)CC1	152209008	FKOXESMVLNEFHX-UHFFFAOYSA-N	312.167	1.418	50	20	DDGD	
Cc1cc(S(N)(=O)=O)cc(C(=O)NNc2ccccc2)c1C	152695271	SUFOHDOOFAQCSJ-UHFFFAOYSA-N	319.386	1.708	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H]2CCC[C@@H](N(C)C)C2)nc1	157639115	MRUDYTFLNDOAEX-NWDGAFQWSA-N	307.398	1.589	50	20	DDGD	
COCC1(CNS(=O)(=O)CBr)CCCC1	832654688	QKATWYAMHRLCKW-UHFFFAOYSA-N	300.218	1.465	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NNC(=O)CC1=CCCCC1	106643733	LNAMWPVOKXUWTD-UHFFFAOYSA-N	305.334	1.047	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc2[nH]c(C)c(C)c2c1	109858990	BSSORYIRPSLXKP-UHFFFAOYSA-N	311.345	1.891	50	20	DDGD	
CS(=O)(=O)CCCC(=O)NNc1ccnc2ccccc12	108897972	XNNNBXJKKLWLDK-UHFFFAOYSA-N	307.375	1.503	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)COC2CCCCC2)c1	103401822	HWIVJHXJNFJEKL-UHFFFAOYSA-N	301.346	1.669	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)c2cnc3n(c2=O)CCS3)c1	102776518	DHASMMUZTZUESW-UHFFFAOYSA-N	316.386	1.723	50	20	DDGD	
CCC(=O)N1CC[C@@H](NC(=O)NNc2ccccc2Cl)C1	177705382	HTAMPETWOLKEJY-SNVBAGLBSA-N	310.785	1.977	50	20	DDGD	
CN1CCc2cc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)ccc21	178887754	SAPJXCVOTHBJMI-AAGJOFLKSA-N	311.385	1.881	50	20	DDGD	
CC[C@H](OC)C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	68176339	KMDCNMWONHVDKY-OLZOCXBDSA-N	308.378	1.643	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCCc2ccc(Cl)cc2)cn1	117955144	HLJKUZVDCXMISA-UHFFFAOYSA-N	321.768	1.260	50	20	DDGD	
Cc1cc(-n2c(C)cc(C(=O)NNC(=O)C(C)C)c2C)no1	22181638	RCJLROPCPZXGKY-UHFFFAOYSA-N	304.350	1.808	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)NCc2ccco2)cc1	65177933	YJBVSOQNIJWQTN-RMKNXTFCSA-N	315.329	1.832	50	20	DDGD	
CSc1ccc(C(=O)NNC(=O)c2ccc(C#N)cc2)o1	112280225	VYFBLDNOQOELPF-UHFFFAOYSA-N	301.327	1.948	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@@H]1C[C@]12CCc1ccccc12	173135341	NFHIJNIUGGZZNZ-LPHOPBHVSA-N	321.380	1.676	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)c1cnn2ccncc12	1346468345	OGVQNIMKPWHZFG-UHFFFAOYSA-N	305.301	1.429	50	20	DDGD	
O=C(CC[C@@H]1CCOC1)NNC(=O)Cn1ccc2ccccc21	177181435	TWVBNVNLFBKJOF-CYBMUJFWSA-N	315.373	1.605	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Nc1ncccc1C	171767307	NJWRXRPSCKMELX-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CCN(C)c2ccccc21	1345368890	UKTXOARMRVGPAH-UHFFFAOYSA-N	316.405	1.652	50	20	DDGD	
Cc1ccc(CCC(=O)NN(C)C(N)=O)c(Br)c1	185888714	MNKMGVLNDFMQKI-UHFFFAOYSA-N	314.183	1.732	50	20	DDGD	
CCOC(=O)[C@H](CC(C)C)NNC(=O)c1cccc(N(C)C)c1	180959617	ARTZJGXHKDEADV-HNNXBMFYSA-N	321.421	1.965	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccccc2-n2ccnn2)n1	181996008	AEDMHTSYPLGQPT-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
C#CCOCCC(=O)NNC(=S)Nc1cccc(C)c1C	129583124	YHBSDFOHYXXYCC-UHFFFAOYSA-N	305.403	1.661	50	20	DDGD	
N#Cc1cc(NC(=O)C(=O)NNc2ccc(F)cc2)ccc1F	181345127	XQFNXOFKXDXVFV-UHFFFAOYSA-N	316.267	1.918	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)/C=C\c1ccccc1	212573031	CQCKSJFCYBCDFD-KTKRTIGZSA-N	307.419	1.574	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cnn(-c2ccccc2F)c1	122381576	MVYQSMLLJYTEBP-UHFFFAOYSA-N	304.325	1.819	50	20	DDGD	
O=C(Cc1cc(F)c(F)cc1F)NNc1ncnc2nc[nH]c12	126945944	RZCLNALUNIZAAT-UHFFFAOYSA-N	322.250	1.456	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2COCCN2CC2CCC2)n1	187032878	XISRFPNHSOWDQW-AWEZNQCLSA-N	319.409	1.037	50	20	DDGD	
COCc1nc(C)c(C(=O)NNC(=O)c2cccn2C)s1	124202237	BSOCBKGTGZIXRJ-UHFFFAOYSA-N	308.363	1.011	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)C2C[C@H](C)C[C@@H](C)C2)n1	183447046	RVUJZPAVUQPTFC-GHMZBOCLSA-N	306.410	1.720	50	20	DDGD	
Cc1cc(C)cc(/C=C/C(=O)NNC(=O)C(=O)N2CCCC2)c1	181814502	DGBPTIUXALYPGR-AATRIKPKSA-N	315.373	1.086	50	20	DDGD	
O=C(NNC(=O)[C@H]1COCCO1)c1ccc(Cl)cc1Cl	73843866	GCQKOHOJUYLLBO-SNVBAGLBSA-N	319.144	1.170	50	20	DDGD	
C[C@H](O)[C@H](C)SCC(=O)NNC(=O)c1ccccc1Cl	79050089	ICMAALSIXNBVIQ-IUCAKERBSA-N	316.810	1.604	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)NC[C@H]2CCCO2)c1	42870212	LQIRZQONUWJXSE-CYBMUJFWSA-N	321.377	1.192	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2ccncc2)cc(C)c1F	134807618	SDSGJEGEDOTGDO-UHFFFAOYSA-N	301.321	1.841	50	20	DDGD	
C[C@H](SCC(=O)NN(C)C(N)=O)c1nc2ccccc2[nH]1	181081306	JNDNVZPSOKUPGM-QMMMGPOBSA-N	307.379	1.399	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](C)Oc1ccc(C)cc1	132198778	TVAZHFGVGQKWRY-LLVKDONJSA-N	302.334	1.704	50	20	DDGD	
O=C(NNc1ncccn1)[C@H]1CCCN(CC(F)(F)F)C1	194124489	LRYZFYHKWOUYKF-VIFPVBQESA-N	303.288	1.194	50	20	DDGD	
ICCN1CCN(c2cnccn2)CC1	190832782	AMIVRDHBUBXWNL-UHFFFAOYSA-N	318.162	1.034	50	20	DDGD	
COc1c(F)ccc(F)c1C(=O)NNC(=O)Cc1cccnc1	132830949	ZOJZSLBTXVGEPM-UHFFFAOYSA-N	321.283	1.372	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C(=O)Nc2ncc(C)s2)c1	134380616	ONNQWOMJCKMTTK-UHFFFAOYSA-N	324.337	1.681	50	20	DDGD	
Cc1ccc(C)n1-c1nc(CC(=O)NNC(=O)C2CC2)cs1	42213400	UURJWIKJNIJOLP-UHFFFAOYSA-N	318.402	1.651	50	20	DDGD	
CCCN(CC)c1ccc(C(=O)NNc2ncccn2)cn1	130318234	ZLHVJQFXADJVGR-UHFFFAOYSA-N	300.366	1.865	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](C)c1cnn(C)c1C	47007417	BKTRLPIUONQXTG-NSHDSACASA-N	315.377	1.742	50	20	DDGD	
CCC1(CC)[C@@H](NC(=O)NNc2cccnn2)[C@H](C)[C@@H]1OC	92542595	YMJYRFRQPSKPHE-DRZSPHRISA-N	307.398	1.942	50	20	DDGD	
Cn1c(NNC(=O)[C@H]2CCCS2)nc2ccccc2c1=O	266447655	NIWFQYRLRAOGST-LLVKDONJSA-N	304.375	1.272	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](C)OC[C@H]2CCCCO2)n1	266929994	NLVGPUFBCWFLBL-NWDGAFQWSA-N	324.381	1.211	50	20	DDGD	
COCCCNC(=O)NNC(=O)C[C@H](C)c1cccc(OC)c1	267795887	NQSCAVZEOCCHKB-LBPRGKRZSA-N	323.393	1.556	50	20	DDGD	
CC1(C(=O)NNC(=O)Cc2cn3ccccc3n2)CCCC1	266905367	FSBDFUOUTVSYCR-UHFFFAOYSA-N	300.362	1.605	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNC(=O)C(C)(C)c1ccccc1	276454225	BEGHXSAQRNGYQH-UHFFFAOYSA-N	314.389	1.694	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccnc(OC2CCCCC2)c1	276311664	VBSADOITCHQXOE-UHFFFAOYSA-N	321.377	1.325	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2ccc(Cl)cc2O)CCCOC1	272657116	HBNYVUYMXCQYFV-AWEZNQCLSA-N	312.753	1.623	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)C[C@H]1C=CCCC1	275212525	CEAJZFBPPRDIEK-LBPRGKRZSA-N	304.346	1.665	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)[C@H](C)C2(C)C)n1	279868382	VWMIYFOBLFEOSW-NWDGAFQWSA-N	317.389	1.792	50	20	DDGD	
CCCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)CC)cc1	274047353	HPYGIDMOOFAQOK-LLVKDONJSA-N	321.377	1.607	50	20	DDGD	
COc1cccc(NNC(=O)Nc2nc3c(s2)COCC3)n1	272609149	YXYNYDVQJLLGIT-UHFFFAOYSA-N	321.362	1.768	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@H]2CCCCN2C2CC2)o1	277316588	CYUAAIBYNKHOOE-ZDUSSCGKSA-N	320.393	1.549	50	20	DDGD	
COc1ccc2nc(NC(=O)NNC(=O)C3CC3)sc2c1	274094589	NVOHYEIPNSWCBH-UHFFFAOYSA-N	306.347	1.868	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)NNc1ncccn1	277107915	MUTGCIDSEBZUMC-UWVGGRQHSA-N	309.370	1.469	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)C2CC2)cc1N1CCOC1=O	274156713	UCCXXGATMWCXDJ-UHFFFAOYSA-N	318.333	1.514	50	20	DDGD	
Cc1ccc(C)c(NC(=O)C(=O)NNC(=O)OC(C)(C)C)c1	274231126	KREKFJSEGYRCAB-UHFFFAOYSA-N	307.350	1.798	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)C1CC1	287428499	VMDNXQJIALLBIL-UHFFFAOYSA-N	324.402	1.287	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNC(=O)c1c[nH]c2ccccc12	289306345	IUUNDGMPIIPRNM-JTQLQIEISA-N	317.345	1.518	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1F	284193440	ZBCSDRNYZLPNHS-UHFFFAOYSA-N	320.271	1.141	50	20	DDGD	
C[C@@H]1OCC[C@]12CN(S(=O)(=O)CCCCCl)CCO2	373677886	BKXZZUCTHQDPKO-RYUDHWBXSA-N	311.831	1.215	50	20	DDGD	
Cc1coc(C)c1C(=O)NNc1nccc(N2CCOCC2)n1	288277973	GPXQMECRZBJSRC-UHFFFAOYSA-N	317.349	1.280	50	20	DDGD	
COCCCOCC(=O)NNc1ccc2c(O)nccc2c1	285640670	IKXXYHSDUOYFJD-UHFFFAOYSA-N	305.334	1.437	50	20	DDGD	
CC[C@H]1CCC[C@@H]1C(=O)NNC(=O)c1cccc(OC)c1O	294866361	OVMMUSBNKFQGGB-QWRGUYRKSA-N	306.362	1.988	50	20	DDGD	
COc1nnccc1NC(=O)NNC(=O)CCc1ccccc1	808902221	RNRLDWJTAMQOCA-UHFFFAOYSA-N	315.333	1.271	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](C)C1CCCC1	807372065	ZLZGHBAOHBDUAI-NSHDSACASA-N	300.399	1.749	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1nc2ccccc2s1	800511769	DRPDZVWEASPJEA-UHFFFAOYSA-N	300.343	1.710	50	20	DDGD	
N#Cc1ccc(Cl)c(C(=O)NNC(=O)[C@H]2CCCCO2)c1	295613402	QXLTYBDWDZSCKL-GFCCVEGCSA-N	307.737	1.542	50	20	DDGD	
C[C@@H](OCC1CC1)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802118999	UITFKKOMELRFSC-LLVKDONJSA-N	320.393	1.720	50	20	DDGD	
Cc1cc(C)cc(OCCNC(=O)NNc2ccncn2)c1	296156781	ACIQCKTVPIMBIW-UHFFFAOYSA-N	301.350	1.799	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@H](C)N1CCc2ccccc21	298666775	HFMCFXMFVCATAG-CYBMUJFWSA-N	318.421	1.814	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H]2CCCCO2)cc1OC	297545334	UWACZYUVCDIGFK-GFCCVEGCSA-N	323.349	1.426	50	20	DDGD	
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NNc1cccc(Cl)n1	292866897	BOUAGVDRRZBHPV-RKDXNWHRSA-N	313.789	1.664	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@@H]1CCN2CCCC[C@@H]12	297496901	WQYWWZHIGFULLB-NEPJUHHUSA-N	311.336	1.613	50	20	DDGD	
O=C(Cc1c(F)cccc1Cl)NNC(=O)[C@H]1CCCCO1	295656156	VNSBEGDDNBOJIY-GFCCVEGCSA-N	314.744	1.738	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2c(C)nn(-c3ccccn3)c2C)n[nH]1	802712572	PSPWEJURICACKV-UHFFFAOYSA-N	323.360	1.680	50	20	DDGD	
C[C@H]1CCCN(c2cc(C(=O)NNc3cccnn3)ccn2)C1	291640896	HFPCVFOBZMZNEY-LBPRGKRZSA-N	312.377	1.865	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1cccc2c1COC2=O	808909672	GZUSNVSQZMSSEO-UHFFFAOYSA-N	312.285	1.219	50	20	DDGD	
COCCc1ccnc(NC(=O)NNC(=O)c2cccnc2)c1	806658503	UNPHNHWYKPHRJO-UHFFFAOYSA-N	315.333	1.132	50	20	DDGD	
O=C(CCOCC(F)(F)C(F)F)NNC(=O)CC1CC1	819136272	QDIMPDGKPWBVEX-UHFFFAOYSA-N	300.252	1.241	50	20	DDGD	
O=C(NNc1ncncc1F)[C@H](O)Cc1ccccc1Cl	817077831	NHELEZHUNHSQOL-LLVKDONJSA-N	310.716	1.316	50	20	DDGD	
Cc1cc(=O)cc(C)n1CCCC(=O)NNC(=O)C1CCCC1	810097242	FIRNIBWMOUSREF-UHFFFAOYSA-N	319.405	1.583	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1CCN(c2ccccc2F)C1	810585450	UYTWZDOYAPJFNG-GFCCVEGCSA-N	322.384	1.783	50	20	DDGD	
C[C@H]1CCN[C@@H](C(=O)NNc2nc(-c3ccccc3)no2)C1	817933671	NQZQMFSOGPGCHZ-CMPLNLGQSA-N	301.350	1.568	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cccc(Br)c1O	819136397	VBFOPCQJSALGLR-UHFFFAOYSA-N	313.151	1.716	50	20	DDGD	
CN(NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)C1CC1	819640988	JXQKRAAGHVNBCD-UHFFFAOYSA-N	314.389	1.529	50	20	DDGD	
CC(=NNC(=O)Nc1cc(F)cc(F)c1)c1cc(CO)on1	815006074	IJRZZJFTFBRSIN-UHFFFAOYSA-N	310.260	1.991	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H](C)Cc1cnc2ccccc2n1	815122007	DYWUJLGMYSILEQ-NSHDSACASA-N	315.377	1.549	50	20	DDGD	
CCc1cnc(C=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)s1	814753133	OMQQXMRDKBHJKL-UHFFFAOYSA-N	319.346	1.960	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc2ccccc2c1	728436382	NTWNRDYLTOBTJP-NSHDSACASA-N	319.386	1.228	50	20	DDGD	
CN(NC(=O)c1cc2cc(Br)sc2[nH]1)C(N)=O	816958288	MAJKPIWTRZZSRB-UHFFFAOYSA-N	317.168	1.647	50	20	DDGD	
O=C(NNc1ncncc1F)N[C@H]1CCc2ccccc2OC1	814331077	XWQZBYPUMPIETG-NSHDSACASA-N	317.324	1.636	50	20	DDGD	
N#Cc1cccc(C(=O)NNc2nc(-c3ccccc3)no2)n1	810339069	FSLDRHPFAPEZQB-UHFFFAOYSA-N	306.285	1.760	50	20	DDGD	
CC(=NNC(=O)CO)c1oc2cc(C)ccc2c1CC(=O)O	814896189	NQKDGTRTDRBRMR-UHFFFAOYSA-N	304.302	1.201	50	20	DDGD	
CCc1nnc(CNC(=O)NNc2cccc(C#N)c2)s1	812599125	PSIBGRMEAIKEFX-UHFFFAOYSA-N	302.363	1.798	50	20	DDGD	
CC[C@@H](C)C=NNC(=O)COc1ccccc1-c1nn[nH]n1	825060355	PKIVJTLPSFJZRQ-SNVBAGLBSA-N	302.338	1.394	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C(C)COCC	497099880	YVEDYXCBPRVJSZ-LBPRGKRZSA-N	311.382	1.432	50	20	DDGD	
C[C@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)n1cccc1	824385646	YGKQWYMCXPLKMJ-LLVKDONJSA-N	311.349	1.763	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)nc(N)n1	828371617	LXNXCJVKZLPSDE-LGZAZAJDSA-N	311.389	1.204	50	20	DDGD	
N#C/C(=C\c1ccc(-c2nn[nH]n2)cc1F)C(=O)N1CCCC1	822796736	XDNAVNRQTJBKSJ-KPKJPENVSA-N	312.308	1.535	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(C)nn1-c1cc(C)ccn1	496509471	ZIOWJMJCGJAWNK-UHFFFAOYSA-N	318.337	1.667	50	20	DDGD	
CCN(Cc1ccc(C(=O)NN(C)[C@H](C)CO)cc1)C(C)C	823966015	XUGSYAWIOGZCRK-CQSZACIVSA-N	307.438	1.874	50	20	DDGD	
CCOC(=O)[C@H]1CCCN(C(=O)/C(C#N)=C\c2cnn(C)c2)C1	491157799	AONSSVUWKZFSDV-GRFABLRMSA-N	316.361	1.129	50	20	DDGD	
CCNC(=O)N(C)N=C[C@H](CCOC)NC(=O)OC(C)(C)C	495895795	PTCFGZRACZFCHX-NSHDSACASA-N	316.402	1.563	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2ccc(N3CCCC3)nc2)cn1	491006472	DIJZHHJIVUKKJW-RIYZIHGNSA-N	322.372	1.961	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)N[C@H]2CO[C@@H](C)C2)cc1	828421882	SHFJRJNWNJOIOL-NWDGAFQWSA-N	323.418	1.595	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21)c1cccc(OC(F)F)c1	906560448	YRRVAULHKXHYDN-ADEWGFFLSA-N	324.283	1.274	50	20	DDGD	
C[C@@H]1OC(=O)N[C@H]1C(=O)NNc1cccc(C(F)(F)F)c1	496391968	KQLARFURNOISOW-IMTBSYHQSA-N	303.240	1.645	50	20	DDGD	
CC[C@](C)(CC(=O)OC)NC(=O)/C(C#N)=C/c1cnn(C)c1	826844004	XESNQINNICTEHD-KXCGHJCSSA-N	304.350	1.175	50	20	DDGD	
CSCC1CCC(NC(=O)c2cccc(B(O)O)c2)CC1	584995573	NTGSBSXDQYVXPD-UHFFFAOYSA-N	307.224	1.018	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)C1CCCC1	491498263	FYYDQFPJAJPGEV-UHFFFAOYSA-N	314.386	1.032	50	20	DDGD	
OB(O)c1ccc(CNc2ccc([C@H]3CCOC3)cc2)c(F)c1	585043718	UGVJRYSIZCOKRN-AWEZNQCLSA-N	315.153	1.622	50	20	DDGD	
C[C@]1(C(=O)Nc2cccc(B(O)O)c2)[C@H]2Cc3ccccc3[C@H]21	584913840	KLZIDTFQRNFVOF-JZXOWHBKSA-N	307.158	1.281	50	20	DDGD	
C[C@@H](Cc1cccs1)N(C)C(=O)c1cc(B(O)O)ccc1F	584958110	VASOWNNTIFLOIY-JTQLQIEISA-N	321.182	1.270	50	20	DDGD	
CCCCNC(=O)NNC(=O)C1CCC(C(=O)N(C)C)CC1	823762821	LUGQNNJEKIHEBD-UHFFFAOYSA-N	312.414	1.012	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCCOc1ccc2c(c1)CCC2	823947249	VGFLMGRDTWQBGV-CYBMUJFWSA-N	306.406	1.678	50	20	DDGD	
CC(=O)NNC(=O)c1cc(NC(=O)O)cc(C(F)(F)F)c1	825879227	MRVALRQELWKMRC-UHFFFAOYSA-N	305.212	1.576	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCCc2ccncc2)cc(C#N)n1C	490726788	VDUWYCCMRBALMS-SXGWCWSVSA-N	319.368	1.866	50	20	DDGD	
CN(CCNC(=O)NNC(=O)c1c[nH]c2ccccc12)C1CC1	732889877	UNARKUXTKVEXNL-UHFFFAOYSA-N	315.377	1.206	50	20	DDGD	
C[C@H](CNC(=O)OC(C)(C)C)NC(=O)NNC(=O)C1CCC1	495417874	FGGUPTOBHCUZID-SECBINFHSA-N	314.386	1.030	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C1(c2ccccc2)CC(=O)C1	496346008	UAFUWKIWHMHRMB-UHFFFAOYSA-N	304.346	1.843	50	20	DDGD	
COCCN(C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1	908115692	SNOWITXKPYFQPM-UHFFFAOYSA-N	305.693	1.610	50	20	DDGD	
CC(=O)NNC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	490937552	DEQYNMPYFMNGHB-CHHVJCJISA-N	302.378	1.835	50	20	DDGD	
CN(C)c1nccc(CNC(=O)[C@]2(C)C[C@H]2Br)n1	907221376	CARXHOOWFGMKIP-BXKDBHETSA-N	313.199	1.332	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)N[C@@H]1CCc2cc(F)ccc21	836252507	NOECMDVPHYZLHK-ZIAGYGMSSA-N	321.352	1.713	50	20	DDGD	
Cc1cccc2c(CCC(=O)N3CC[C@H](B(O)O)C3)c[nH]c12	585067631	YYPRQPRJMSYCLR-ZDUSSCGKSA-N	300.167	1.484	50	20	DDGD	
O=C1CCC(=NNC(=O)C23CC4CC(CC(C4)C2)C3)CCN1	834925063	IOMUJRURGWCKAO-UHFFFAOYSA-N	303.406	1.975	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc(C(=O)OC)cn1	901154916	WQAKCUKGMJKYOZ-UHFFFAOYSA-N	306.366	1.050	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H](C)C#N)cc1	735836179	DNVHGSKYOKGQRF-QWRGUYRKSA-N	305.334	1.160	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CSC(c2ccccc2)=N1)C1CCC1	900657646	BQTALISQGCCQRV-LBPRGKRZSA-N	303.387	1.496	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)C1CCOCC1)c1ccccc1F	905816902	UYMKEEXUPFTYOS-ZDUSSCGKSA-N	310.325	1.087	50	20	DDGD	
C[C@@H]1C[C@@H]1c1ccc(CNC(=O)c2cc(B(O)O)ccc2F)o1	584932012	MPRQDYOAMYIKOY-SKDRFNHKSA-N	317.125	1.152	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)N(C)C)c(-c2ccccc2)n1	900427137	FVEMFGNJVGVAGK-UHFFFAOYSA-N	301.350	1.486	50	20	DDGD	
CO[C@@H](CNCc1ccc(B(O)O)cc1F)C1CCCCC1	585049385	FWVQAYPZKLTDFG-INIZCTEOSA-N	309.190	1.190	50	20	DDGD	
COc1ccccc1C(=O)NNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2	731489877	GXTNIGOLMADRQQ-GMXVVIOVSA-N	319.430	1.993	50	20	DDGD	
C[C@@H]1OCC[C@]12CN(C(=O)[C@]1(C)C[C@H]1Br)CCO2	907877055	YTUYGMUBTUZJIQ-YGNMPJRFSA-N	318.211	1.566	50	20	DDGD	
CN(NC(=O)c1cccnc1-n1cccn1)C(=O)OC(C)(C)C	838363472	DWLSCILIHFXSEO-UHFFFAOYSA-N	317.349	1.779	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNc1ccc(C(=O)OC)cc1F	837209976	UPZXYANMKXEVBL-CQSZACIVSA-N	323.368	1.930	50	20	DDGD	
CCC1(CC)CN(C(=O)c2cccc(B(O)O)c2)CCS1	584974392	GZDFRXILZKGDSQ-UHFFFAOYSA-N	307.224	1.114	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1ccccc1C(=O)O)C1CCCC1	833394625	CAFRABMPXQBJQK-CQSZACIVSA-N	319.361	1.523	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@@H](C)C[C@@H](C)N)c1ccccc1	831212803	WEIRBMHUCPEQAL-DYEKYZERSA-N	306.410	1.636	50	20	DDGD	
CCC(C)(C)OCCNC(=O)NNC(=O)c1ccc(C#N)cc1	836264909	KGNOCLXCHXTAKX-UHFFFAOYSA-N	318.377	1.707	50	20	DDGD	
COC1([C@H](C)NCC(=O)NNC(=O)c2ccc(C)cc2)CCC1	839661691	YRZPTIHKXHKIPW-ZDUSSCGKSA-N	319.405	1.303	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1ccccc1Cl	916363299	TVEVVGCCGHFNRJ-LBPRGKRZSA-N	309.797	1.758	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H](C)[C@@H](OC)C2CC2)c1	838699860	BQAWJYVXWYKFLO-QMTHXVAHSA-N	321.377	1.913	50	20	DDGD	
C[C@@H]1C[C@@H]1c1ccc(CNC(=O)NNC(=O)[C@H]2CCCCO2)o1	836227105	INCBMKKWEVZICO-SCDSUCTJSA-N	321.377	1.803	50	20	DDGD	
C[C@@H]1CC(NC(=O)NNc2ncc(F)cc2F)C[C@@H](C)O1	838535177	QWSSXHBPSHQNPU-HTQZYQBOSA-N	300.309	1.942	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)c1cc(Cl)ccc1O	916738865	IDSBDZODCFKDCF-UHFFFAOYSA-N	311.750	1.885	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	745491351	KHJHRCCQIIUPDX-UHFFFAOYSA-N	315.285	1.684	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1CCOc2ccccc21	916364466	MQZUYOSFBVNRSJ-ZDUSSCGKSA-N	317.389	1.258	50	20	DDGD	
O=C(NNc1ncccc1F)C1CCN([C@@H]2CCSC2)CC1	848061668	BRDPTASXKOOPPH-GFCCVEGCSA-N	324.425	1.881	50	20	DDGD	
Cc1noc(C)c1C(C)(C)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843657922	TZXYBXFUSRANMO-ONGXEEELSA-N	309.366	1.141	50	20	DDGD	
CC(=O)CSCC(=O)Nc1cccc(NC(=O)NN(C)C)c1	843869954	JIZTVUIBQUDVKU-UHFFFAOYSA-N	324.406	1.545	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1ccc(C(=O)O)c(F)c1	849176419	NFUPXUGGNRRTCP-YRNVUSSQSA-N	306.293	1.584	50	20	DDGD	
CC(C[C@H]1CCCC(=O)N1)=NNC(=O)Cc1ccccc1F	841623812	QVYAOTAZNHGWCS-CYBMUJFWSA-N	305.353	1.919	50	20	DDGD	
O=C(NC[C@H]1NCCc2ccccc21)NNC(=O)C1CCC1	841994343	DDRZMNVVPGPGDN-CQSZACIVSA-N	302.378	1.004	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCC(=O)C2)cc1C	843753012	IDAYLHWPTUNWIW-GFCCVEGCSA-N	304.346	1.199	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)sc1C	842590307	NYSMXBSTHBXGIK-PSASIEDQSA-N	318.420	1.099	50	20	DDGD	
CC(C)(C(=O)NNc1cccc2c1CCCC2)S(C)(=O)=O	748586118	WFKOGKDCZNKBDE-UHFFFAOYSA-N	310.419	1.832	50	20	DDGD	
C[C@H](Oc1ccccc1Cl)C(=O)NNC(=O)c1ccccn1	913625879	MYGZRZXTJLFHJB-JTQLQIEISA-N	319.748	1.964	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)OCCn2cccn2)cc(C#N)n1C	744495045	WKBMSSZHVLQYRM-RIYZIHGNSA-N	309.329	1.552	50	20	DDGD	
CCc1cc(NNC(=O)c2ncccn2)nc(-c2ccccn2)n1	743375336	NUZMOBCXLVFMMC-UHFFFAOYSA-N	321.344	1.648	50	20	DDGD	
COC(=O)[C@H](C)c1ccc(NC(=O)NNC(=O)CC2CC2)cc1	841769412	CGEGORIQBRUXDA-SNVBAGLBSA-N	319.361	1.916	50	20	DDGD	
Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NN	917371587	IDNFGNGYEUDSMJ-UHFFFAOYSA-N	323.349	1.538	50	20	DDGD	
CC[C@@H](C)Oc1ccc(NC(=O)NNC(=O)CCCN)cc1	841076191	BSWCPLWXCASJTE-LLVKDONJSA-N	308.382	1.756	50	20	DDGD	
CC(C)(C)n1nnc(CNC(=O)NNc2ccc(Cl)nc2)n1	847419039	OPGWAGVJIVEKIO-UHFFFAOYSA-N	324.776	1.303	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@@H](C)CN2CCCCCC2)nn1	841614780	QXZAYRAWPYXRGE-ZDUSSCGKSA-N	303.410	1.747	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNc2cc(O)nc3ncccc23)[C@H]1C	913996220	MIJBKWJMDRDSQT-LFNDISMMSA-N	316.361	1.838	50	20	DDGD	
CO[C@@]1(C=NNC(=O)[C@H](C)Oc2ccccc2F)CCOC1	841612608	LXQRTPOQGHRFBZ-XHDPSFHLSA-N	310.325	1.501	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2Cc3ccccc3C2)c1	744398651	XECNBQWGFNKQLO-UHFFFAOYSA-N	309.369	1.772	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NNC(=O)NC(C)C)no1	745139638	LPEWSVMKCBVHEG-UHFFFAOYSA-N	318.333	1.703	50	20	DDGD	
COc1ccc2c(c1)CN(CC(=O)NNC(=O)C(C)(C)C)CC2	744389922	AKILFFIAZXPZTE-UHFFFAOYSA-N	319.405	1.247	50	20	DDGD	
O=C(NNC(=O)c1ncccn1)c1ccc(OCC2CC2)cc1	841354835	SMXGIAGFHWRMJZ-UHFFFAOYSA-N	312.329	1.340	50	20	DDGD	
COc1cc(C2(C(=O)NNC(=O)N(C)C)CCC2)ccc1C	749599614	ONWSKXUEIQEWFU-UHFFFAOYSA-N	305.378	1.728	50	20	DDGD	
NC(=O)[C@H]1CC[C@H]1C(=O)NNc1ncc(Cl)cc1Cl	847755308	WZFSQSWOXNNZBM-NKWVEPMBSA-N	303.149	1.343	50	20	DDGD	
Cc1ccc(C)c(SCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	843645070	QHHSWBPIRCGEJZ-OLZOCXBDSA-N	322.430	1.968	50	20	DDGD	
Cc1cncc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)c1	742473881	IXLIKASUZPHIMF-UHFFFAOYSA-N	323.356	1.280	50	20	DDGD	
CC(=NNC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccn(C)n1	841611359	QNOVMGJUWKZDEK-NSHDSACASA-N	304.325	1.867	50	20	DDGD	
Cc1c(NNC(=O)N[C@H](C)[C@H]2CCCNC2)cccc1[N+](=O)[O-]	841929271	VJYBVMBXTNPWSU-NEPJUHHUSA-N	321.381	1.917	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)co1	753610210	LIMYXTKPVUWFPK-UHFFFAOYSA-N	304.262	1.220	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC1	855103363	RITVANOQTBHZMW-SSDOTTSWSA-N	324.362	1.208	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2nc3cc(Cl)ccc3n2C)cn1	755732828	LFIZRGXGZKXMLK-UHFFFAOYSA-N	316.752	1.724	50	20	DDGD	
O=C(Cc1n[nH]c2ccccc12)NNC(=O)c1ccccc1O	920275280	SKOJYCXFVYKEQU-UHFFFAOYSA-N	310.313	1.272	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@H](C)C(F)(F)[C@@H](C)C1	859414049	UTZFPYIRWLBCRS-SRVKXCTJSA-N	319.396	1.792	50	20	DDGD	
CNC(=S)N(C)NC(=O)CSc1ccc([N+](=O)[O-])cc1	854929407	GKZRZTGRSAVEMO-UHFFFAOYSA-N	314.392	1.154	50	20	DDGD	
Cc1cc(NNC(=O)C2(C(=O)OC(C)(C)C)CC=CC2)ncn1	857127493	SNCVYIVHSGGSIA-UHFFFAOYSA-N	318.377	1.906	50	20	DDGD	
Cc1onc(N)c1S(=O)(=O)NC[C@]1(C)C[C@@H]1Br	856754062	BWFQHKMDZGOEQK-RCOVLWMOSA-N	324.200	1.017	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1scnc1C1CCCC1	759844699	HJCPHLVPXFZHOC-UHFFFAOYSA-N	319.390	1.907	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2ccc(C#N)c(Cl)c2)c1[N+](=O)[O-]	753315984	LNQAHJNAEVSZJG-UHFFFAOYSA-N	320.696	1.908	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Nc1cccnn1	757662077	VWVKGQOLSLFUJQ-VIFPVBQESA-N	319.296	1.236	50	20	DDGD	
COCc1ccc(C(=O)NNC(=O)OCC(F)(F)F)cc1	856024994	LSLYZVBSZDTHPD-UHFFFAOYSA-N	306.240	1.766	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNC(=O)c2ccncc2)ccn1	759679083	PQDFHSNIFFGGBR-UHFFFAOYSA-N	300.318	1.339	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1nccc2[nH]ccc12	854285045	FILBFBLSVGFWAT-UHFFFAOYSA-N	321.406	1.051	50	20	DDGD	
CN1CC[C@H](C(=O)OC[C@H](CBr)C2CC2)CC1=O	859489645	MLAXIAAVNLWIHT-QWRGUYRKSA-N	318.211	1.819	50	20	DDGD	
Cc1ccc(CO[C@@H](C)C(=O)NNC(=O)c2cnn(C)c2)cc1	859447850	XIAZSRHDDOJRCS-LBPRGKRZSA-N	316.361	1.095	50	20	DDGD	
COCc1nc(C)c(C(=O)NNC(=O)c2ccccc2C)s1	758120536	MUMOYMQOMSFNOO-UHFFFAOYSA-N	319.386	1.981	50	20	DDGD	
CO[C@@H]1CCCN(C(=O)NC[C@]2(C)C[C@@H]2Br)C1	856904154	XXDAVBGFSYXOPE-SCVCMEIPSA-N	305.216	1.980	50	20	DDGD	
Cc1cc(F)ccc1NC(=O)C(=O)NNC(=O)C1CCCC1	764076846	IAIKOPQPSHPWAS-UHFFFAOYSA-N	307.325	1.410	50	20	DDGD	
Cc1cc(C(=O)NNCC(F)(F)C(F)(F)F)cnc1F	863101777	HKFFLAOMRXOIMN-UHFFFAOYSA-N	301.190	1.961	50	20	DDGD	
CC(C)O[C@@H]1C[C@H](NS(=O)(=O)CBr)C1(C)C	766080628	NZVVGQJTFYGWKV-DTWKUNHWSA-N	314.245	1.850	50	20	DDGD	
C[C@H](NNC(=O)c1cn(C)nc1-c1ccncc1)C(F)(F)F	862308271	BDFOHSKAMALJCP-QMMMGPOBSA-N	313.283	1.667	50	20	DDGD	
CCSCCSCC(=O)NNC(=O)c1cccs1	760512532	IIQBNYPZBXTBEG-UHFFFAOYSA-N	304.462	1.995	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2(F)CCOCC2)c1F	868782468	WNCPPAXAGFPJAV-UHFFFAOYSA-N	314.288	1.574	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCc1ccccc1CO	866834686	BMZKKEULOAGHJA-UHFFFAOYSA-N	305.827	1.863	50	20	DDGD	
C[C@H](CNC(=O)NNc1ccccc1S(C)(=O)=O)C1CC1	765824476	GZPCZLCMCQMFQN-SNVBAGLBSA-N	311.407	1.762	50	20	DDGD	
CCN1CCO[C@@H](C(=O)NNc2ccc(F)c(Cl)c2)C1	863080657	IXFNQSLMQIVGIT-GFCCVEGCSA-N	301.749	1.643	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccccc1Cn1cncn1	760906159	OHIIQQMHLIPWLQ-UHFFFAOYSA-N	313.296	1.012	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)COC[C@H]1CCCO1	862287491	OUEJPKOWNAZKSJ-CQSZACIVSA-N	322.361	1.482	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)c2cncnc2)cc1	760798965	JURBCZBTTDMEKF-UHFFFAOYSA-N	317.374	1.507	50	20	DDGD	
Cc1cccc(C=NNC(=O)CNC(=O)c2cccnc2)c1C	763194326	FUTMOBFHCZKKQP-UHFFFAOYSA-N	310.357	1.579	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(=O)c2ccccc2o1	764469901	SIZFKNQWRWPFEU-UHFFFAOYSA-N	312.285	1.349	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)CCc2ccccc2)CCC1=O	764075127	RJWDGLNCIFRRDE-GXTWGEPZSA-N	302.374	1.772	50	20	DDGD	
CCOc1cc(C=NNC(=O)C2CCOCC2)ccc1OC	1119304920	VNYXZBKQCQSSLO-UHFFFAOYSA-N	306.362	1.971	50	20	DDGD	
COCCOCC(=O)NN=Cc1nc2ccc(F)cc2s1	872400015	FCLLWDYZLUQPQW-UHFFFAOYSA-N	311.338	1.549	50	20	DDGD	
Cn1ccc(NNC(=O)[C@@]2(C(=O)OC(C)(C)C)CC2(C)C)n1	1118827991	SYDHDLOLSTXYBA-OAHLLOKOSA-N	308.382	1.621	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCCc2sccc21	772206599	IFEMBKDOYSFMPO-KOLCDFICSA-N	324.402	1.657	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CCN(C(C)(C)C)CC2)c1	1118811371	VZODLADNVFIDDS-UHFFFAOYSA-N	324.450	1.827	50	20	DDGD	
CN(C)CC1(C(=O)NNC(=O)c2nc3ccccc3s2)CC1	874913529	DXKPHOAJVNVSNH-UHFFFAOYSA-N	318.402	1.399	50	20	DDGD	
CN1CCN(c2ccc(C=NNC(=O)c3ccncc3)cc2)CC1	771554527	WVLGYDNZPXYVIN-UHFFFAOYSA-N	323.400	1.597	50	20	DDGD	
C#CCN1CCC[C@@H](NC(=O)NNc2cccc(Cl)n2)C1	1119309874	QVSFVNJYAKVVPB-LLVKDONJSA-N	307.785	1.459	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc(NC(=O)C2CC2)c1	878145804	WCGBZCGFKDZYDD-UHFFFAOYSA-N	306.366	1.650	50	20	DDGD	
Cc1ccc(O)c(C=NNC(=O)CNC(=O)OC(C)(C)C)c1	777904977	UDSFQFSBWFCWDO-UHFFFAOYSA-N	307.350	1.675	50	20	DDGD	
Cc1cccc(C)c1NCC(=O)NNC(=O)C1CCOCC1	883063885	GVJGHOVOAJSQBI-UHFFFAOYSA-N	305.378	1.289	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCCC23OCCO3)cc1O	882050838	IVIORYMEXPVFGJ-GFCCVEGCSA-N	320.345	1.005	50	20	DDGD	
CCOC(=O)Cc1nnc(NC(=O)NNc2ccccn2)s1	779071945	NQDMYZWUPROMDK-UHFFFAOYSA-N	322.350	1.187	50	20	DDGD	
O=C(NC[C@H]1[C@H]2c3ccccc3C[C@H]21)NNC(=O)c1cccnn1	883522419	OVYFFAFDPIPXGD-GUTXKFCHSA-N	323.356	1.007	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCc1nnc2n1CCCC2	784022310	RIESBAVMHMTQDX-UKTHLTGXSA-N	324.340	1.970	50	20	DDGD	
COc1ccc(NNC(=O)c2cnn(-c3cccnc3)c2)nc1	781534528	MEVUGCWKRNZFCA-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1c(O)cccc1F	884432108	SECUMVDZFWEJOT-UHFFFAOYSA-N	309.341	1.676	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCc1nc(C2CCCC2)no1	887145717	OWRDQOLXMIZKGW-UHFFFAOYSA-N	318.377	1.611	50	20	DDGD	
CC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)c1nccnc1C	783509688	QDMFTWCFGGTCLZ-UHFFFAOYSA-N	314.305	1.429	50	20	DDGD	
O=C1CC[C@@]2(C(=O)NNc3cc(F)ccc3F)SCCN12	885146072	LKCRWCKRIFXTSR-ZDUSSCGKSA-N	313.329	1.473	50	20	DDGD	
CC(C)(N)CCNC(=O)NNc1cccc(Br)n1	892850048	IFRVYLHPZOXJAE-UHFFFAOYSA-N	316.203	1.598	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)Cc2cnc[nH]2)cc1	899941866	ADQATNPOUNASDL-UHFFFAOYSA-N	300.362	1.711	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1ccc(C)c(C(=O)O)c1	899339409	WJEVBTGZLJLYRE-MDWZMJQESA-N	302.330	1.753	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1ccc(N2CCOC2=O)cc1	782881236	RDCGVXHTQZCESV-QBFSEMIESA-N	315.329	1.703	50	20	DDGD	
Cc1ccc(SCC(=O)NN=Cc2cnc(N)nc2)cc1	781585775	IFUSWXXQGNACDP-UHFFFAOYSA-N	301.375	1.610	50	20	DDGD	
C[C@H]1CC[C@@H](NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	780789245	MSFHNBRSSGWFNW-GXSJLCMTSA-N	306.322	1.727	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccc(NC(C)=O)c1C	785634046	VPPJJWOFCXBFLE-UHFFFAOYSA-N	306.391	1.248	50	20	DDGD	
CCOc1cccc2[nH]cc(CC(=O)NNC(=O)C(C)C)c12	782658914	SOEIMJOEKAICRN-UHFFFAOYSA-N	303.362	1.913	50	20	DDGD	
C[C@]1(C=NNC(=O)CNC(=O)c2cccs2)CCCS1	792997191	WNXJKKYLBMPUSF-CYBMUJFWSA-N	311.432	1.866	50	20	DDGD	
Cc1noc([C@@H]2CCCCN2CC(=O)NNC(=O)C(C)(C)C)n1	796667152	FZOSESGDNGLNBH-NSHDSACASA-N	323.397	1.099	50	20	DDGD	
CN1CCC[C@@H]1c1cc(C(=O)NNc2ccnc(F)c2)n[nH]1	897348971	MPNUZGGKJWMJCD-GFCCVEGCSA-N	304.329	1.467	50	20	DDGD	
CC(C)Cc1ccccc1C(=O)NNc1nccn(C)c1=O	792365685	PAKPXWYFPIUZKE-UHFFFAOYSA-N	300.362	1.736	50	20	DDGD	
CNS(=O)(=O)c1ccc(C(=O)NNc2ncccc2C)cc1	791215501	STOSLUCAOLBSMF-UHFFFAOYSA-N	320.374	1.055	50	20	DDGD	
C=C(CO)C(=O)NNC(=O)c1ccc(OCCCCCC)cc1	791312250	SHPBHAVESCPJLN-UHFFFAOYSA-N	320.389	1.955	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc(O)c2O)c(O)c1	790559390	JZQLLYRKMGHGAQ-UHFFFAOYSA-N	302.286	1.187	50	20	DDGD	
CCNC(=O)NNS(=O)(=O)c1c(Cl)ccc(F)c1F	790054859	RJALNDUURJQTAP-UHFFFAOYSA-N	313.713	1.131	50	20	DDGD	
COc1c(F)ccc(F)c1C(=O)NNC(=O)c1cccc(C)n1	794089988	NBOUZAIPVJFZGX-UHFFFAOYSA-N	321.283	1.752	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1CN2CCCN1CC2	799757065	SULRHHITGTYSGF-HNNXBMFYSA-N	302.422	1.390	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(-n2ccnc2)cc1	798305520	SUAYJUQDULYDSJ-UHFFFAOYSA-N	301.375	1.167	50	20	DDGD	
Cc1n[nH]cc1C1CCN(S(=O)(=O)CBr)CC1	790421482	PVCDSECIUWLSHL-UHFFFAOYSA-N	322.228	1.580	50	20	DDGD	
C/C(N)=C(/C#N)c1nc(-c2ccc(O)c(C(N)=O)c2)cs1	798227312	COUXUSPLGOBDDQ-JXMROGBWSA-N	300.343	1.828	50	20	DDGD	
Cc1cccc(CCNC(=O)NNC(=O)c2ccc(C#N)cc2)n1	792238026	PSCZMYCCMUHSCR-UHFFFAOYSA-N	323.356	1.448	50	20	DDGD	
Cc1nc(N)nc(C)c1C(=O)NNc1cccc(F)c1[N+](=O)[O-]	791147522	CXPLPNNVGPZNHH-UHFFFAOYSA-N	320.284	1.480	50	20	DDGD	
Cn1nncc1C(=O)NNc1ccc(OCC(F)(F)F)cc1	798982128	CRLVYMDGYXLBJR-UHFFFAOYSA-N	315.255	1.513	50	20	DDGD	
CCOc1c(Cl)cc(C=NNC(=O)C(=O)OC)cc1OC	1318902969	NECSYLLHSGSSME-UHFFFAOYSA-N	314.725	1.370	50	20	DDGD	
CCSc1cc(C(=O)NNc2nncc(N)c2Cl)ccn1	1319777333	OMBRQILBBZQLOG-UHFFFAOYSA-N	324.797	1.976	50	20	DDGD	
O=C(NCc1cccc(Cl)c1F)NNC(=O)c1ccc[nH]1	1319255715	KWPTWLARKGVAMU-UHFFFAOYSA-N	310.716	1.951	50	20	DDGD	
CCCNC(=O)NNC(=O)CSc1nc2ccccc2[nH]1	1319520112	DCJPBPBWVSDNHX-UHFFFAOYSA-N	307.379	1.395	50	20	DDGD	
CC1CCN(CCC(=O)NNC(=S)NC(C)(C)C)CC1	1317946831	WHZFLFYDVOQRTE-UHFFFAOYSA-N	300.472	1.402	50	20	DDGD	
CCN(CC)Cc1cc(C(C)=NNC(=O)C(=O)OC)ccc1O	1322286791	SSTHJMNTVKPJQX-UHFFFAOYSA-N	321.377	1.247	50	20	DDGD	
O=C(CCc1nc(-c2ccccc2)no1)NNC(=O)CC1CC1	1324387273	LWFRIYLRUQCOQQ-UHFFFAOYSA-N	314.345	1.617	50	20	DDGD	
C[C@](O)(CC(=O)NNc1cncc(Br)c1)C1CC1	1324494604	XDWZXCKLMYWHGK-LBPRGKRZSA-N	314.183	1.838	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccccc1Cl)[C@@H]1CCCNC1	1326132578	KXSKFIVJVJKSKM-GHMZBOCLSA-N	324.812	1.672	50	20	DDGD	
O=C(CCCn1ccnc1)NNC(=O)c1ccccc1Cl	1321575636	IBALPJJNRWBHIF-UHFFFAOYSA-N	306.753	1.778	50	20	DDGD	
C[C@@H](CC(=O)OC(C)(C)C)NC(=O)NNc1cccc(F)n1	1322568665	ZTGMDXMWAPRQRZ-VIFPVBQESA-N	312.345	1.967	50	20	DDGD	
O=C(NCc1cccnn1)NNC(=O)c1ccc2ccccc2n1	1326562619	TWQFJLCLWJIOIM-UHFFFAOYSA-N	322.328	1.169	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H](Br)C(C)(C)C	1320557998	RRGTXLKMMJBUEG-ZETCQYMHSA-N	310.261	1.700	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1cccc(C(F)F)c1	1349088723	HPXLEAZSXVSPPD-UHFFFAOYSA-N	323.299	1.514	50	20	DDGD	
C[C@H](CC(=O)c1ccccc1F)C(=O)NNc1cccnn1	1342263353	PFPOULLDYVAMNW-SNVBAGLBSA-N	302.309	1.968	50	20	DDGD	
C[C@@H]1CCCN(C(=O)CCNC(=O)NNc2ncccc2F)C1	1354020535	LCRYVOJDXXHYBV-LLVKDONJSA-N	323.372	1.495	50	20	DDGD	
C[C@]1(COC(=O)CCN2C(=O)CCC2=O)C[C@@H]1Br	1526045324	UXONLRNWENXDHE-QPUJVOFHSA-N	318.167	1.242	50	20	DDGD	
Cc1cc(CNC(=O)NNc2ccc(C(=O)O)c(F)c2)n(C)n1	1600201930	PZRQJMYDVTVYLZ-UHFFFAOYSA-N	321.312	1.392	50	20	DDGD	
C=C(C)COCCNC(=O)NNc1cccc(C(=O)O)c1F	1602762302	FCRWLUVBSZOMIW-UHFFFAOYSA-N	311.313	1.743	50	20	DDGD	
CCc1nc(CNC(=O)NNc2ccc(C(=O)O)cc2F)n[nH]1	1605850422	MDWKOHUOMXHZOR-UHFFFAOYSA-N	322.300	1.031	50	20	DDGD	
O=C(NNC(=O)c1ccccc1C(=O)O)c1cccc(Cl)n1	1608479500	KDKSLKXSDLQXKE-UHFFFAOYSA-N	319.704	1.508	50	20	DDGD	
O=C(NN=Cc1ccc(-c2nn[nH]n2)s1)[C@H]1CCCS1	1609557599	YHTORWVLAPUZBI-SECBINFHSA-N	308.392	1.274	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2cc(C(=O)O)no2)nn1	1609670458	VAWBEMKLXCPTCY-UHFFFAOYSA-N	305.294	1.217	50	20	DDGD	
Cc1cc(CNC(=O)NNc2cccc(C(=O)O)c2C)n(C)n1	1600202216	YQJDNHGLXZXVGG-UHFFFAOYSA-N	317.349	1.561	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2	1602230059	COTBIQXKFHVSFD-DJLDLDEBSA-N	306.293	1.582	50	20	DDGD	
CCNc1cccnc1C(=O)NNc1ccc(C(=O)O)cn1	1605503009	STRSAWULQOYTAP-UHFFFAOYSA-N	301.306	1.364	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H](C(=O)O)C1)c1cccc2cccnc12	1608479065	JYSRKJBPGJFOII-PHIMTYICSA-N	313.313	1.107	50	20	DDGD	
CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](F)Cl)[C@@H]1c1cccnc1	1806712531	SGSXKUOXKXYALV-YNEHKIRRSA-N	313.760	1.642	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)[C@@]1(F)CCNC1	1574334415	POKQVGILVRZEEN-LLVKDONJSA-N	309.238	1.989	50	20	DDGD	
Cc1cc(CN)cc(NC(=O)NNC(=O)c2cccc(F)n2)c1	1579593877	CFHOSZLOJPVZLA-UHFFFAOYSA-N	317.324	1.454	50	20	DDGD	
C[C@@H](N)c1nc(C(=O)NNC(=S)N[C@H](C)C2CC2)cs1	1576175303	GUWLLOZWRUKGOP-RNFRBKRXSA-N	313.452	1.070	50	20	DDGD	
O=C(C[C@@H]1CCCN1)NNC(=O)c1nc2ccccc2s1	1580505897	NKBBTOFZPAJRGO-VIFPVBQESA-N	304.375	1.199	50	20	DDGD	
N#Cc1cccc(NNC(=O)[C@@H](N)c2ccc(F)cc2F)c1	1580077932	FHTKUUDEDJTMBZ-AWEZNQCLSA-N	302.284	1.980	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@]1(F)c1ccccc1)C1CCNCC1	1580732722	HNKLUUOGGYZHFZ-XJKSGUPXSA-N	305.353	1.018	50	20	DDGD	
C=CCC(=O)N1CC2(CCCN2C(=O)CO[Si](C)(C)C)C1	1844379464	DPFJXXAKCZMUCS-UHFFFAOYSA-N	310.470	1.617	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1ccc(-c2nn[nH]n2)o1	1593166539	DHQBEKCCMCYNKB-UHFFFAOYSA-N	305.685	1.265	50	20	DDGD	
CO/C=C(\C)C(=O)N1CCCC12CN(C(=O)C(Cl)Cl)C2	1844181715	MSYPOYQQZMTYSE-RMKNXTFCSA-N	321.204	1.544	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)C1SCCCS1	1593161774	BEUYTVJQTLYTSJ-UHFFFAOYSA-N	322.419	1.506	50	20	DDGD	
O=C(NNc1ccccc1F)c1ccc(-c2nn[nH]n2)c(O)c1	1593166647	IXFWUDUGDZCGOK-UHFFFAOYSA-N	314.280	1.468	50	20	DDGD	
NC(=O)c1ccc(NC(=O)NNc2ncccc2C(=O)O)cc1	1594650126	OHOXACQSJKJMOL-UHFFFAOYSA-N	315.289	1.027	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@]12C[C@@H]1COC2(C)C	1599375913	IBPGKTXGOCGOQA-QLJPJBMISA-N	320.345	1.652	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(C(C)(C)C(=O)O)cc1	1596860389	CMUPMYWPESJRCG-UHFFFAOYSA-N	323.349	1.238	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1ccc(C(=O)O)cc1C	1776039401	QZHOKPLSODYBFC-UHFFFAOYSA-N	307.350	1.753	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C/c1cccc2[nH]nc(C(=O)O)c12	1776330840	OYBHNZKXCPCDNZ-IZZDOVSWSA-N	312.329	1.940	50	20	DDGD	
C[C@H]1C(=NNC(=O)c2ccc(C(=O)O)cc2)CC[C@@H]1CC(=O)O	1776101026	NJGSFOPQGXBBTJ-BXKDBHETSA-N	318.329	1.991	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccc(Cl)nc2)cc1	17111885	SWULOHBAHOERBB-UHFFFAOYSA-N	319.748	1.883	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnn(-c2cc(C)ccc2C)c1C	151339581	AABKIGIXPAITOL-UHFFFAOYSA-N	315.377	1.761	50	20	DDGD	
CN(C)c1cccc(CNS(=O)(=O)CCCCCl)n1	154841729	WMJPAESCFBJBDN-UHFFFAOYSA-N	305.831	1.586	50	20	DDGD	
COc1ccc(NNC(=O)C[C@@H](O)c2cccc(F)c2)nc1	159268671	DJXVLACFCJTHPF-CYBMUJFWSA-N	305.309	1.796	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCC[S@](=O)Cc1ccccc1	159470181	ZHYSSBKPXSNHTF-YXAHYSCSSA-N	306.387	1.495	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(OCC(F)F)nc2)nc1	159185344	SFVPQUOSDBCHHN-UHFFFAOYSA-N	324.287	1.886	50	20	DDGD	
COCCO[C@H]1CCN(S(=O)(=O)CC(C)(C)CCl)C1	867153042	ZRXQZMVFLZQGOW-NSHDSACASA-N	313.847	1.319	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CC=CCC2)cc1	10849125	APXYGQBTIKLXAD-CQSZACIVSA-N	316.357	1.656	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NC2CCCC2)cc1	56516685	GXEIBWGLLVSHOR-UHFFFAOYSA-N	305.378	1.901	50	20	DDGD	
COCC[C@H](C)NC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	101520486	XNGXYKGJOALGJL-ODYDIQAQSA-N	300.362	1.653	50	20	DDGD	
Cc1ccc(CN(C)CC(=O)NNC(=O)c2cccs2)cc1	24813763	KKAUTQLDLJMXTG-UHFFFAOYSA-N	317.414	1.950	50	20	DDGD	
CSc1nc(C)c(CCC(=O)NNc2ccccc2)c(=O)[nH]1	119579658	OUVURRAIJFUABN-UHFFFAOYSA-N	318.402	1.876	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CCc1nc(-c2cccs2)no1	63269808	JBIKBLKQZAZHIA-UHFFFAOYSA-N	323.378	1.470	50	20	DDGD	
C[C@H](NC(=O)CC1CCCCC1)C(=O)NNc1cnccn1	114882375	MSKFWGZPKXCNJP-NSHDSACASA-N	305.382	1.395	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNC(=O)Cc1ccc(Cl)cc1	104137480	BAOFUPAUMPTPBF-AWEZNQCLSA-N	323.824	1.904	50	20	DDGD	
C#CCOc1ccc(C(=O)NNc2ccc(Cl)nn2)cc1	173702538	XMCGZIGDDGOBMO-UHFFFAOYSA-N	302.721	1.899	50	20	DDGD	
N#CC1CCN(C(=O)NNC(=O)CCOc2ccccc2)CC1	60996146	XNMOHULWMVVFOF-UHFFFAOYSA-N	316.361	1.432	50	20	DDGD	
CCc1ccc([C@@H](C)C(=O)NNC(=O)c2cnn(C)c2)cc1	117683157	IMZRKHHCTWDMDT-LLVKDONJSA-N	300.362	1.547	50	20	DDGD	
Cc1cc(NNC(=O)CCNC(=O)c2cccs2)ncn1	172276485	PTKMXPULPXJTHR-UHFFFAOYSA-N	305.363	1.110	50	20	DDGD	
CSC[C@@H](C)C(=O)NNC(=O)COc1ccc(C#N)cc1	66817267	GGQCORWGYLGROF-SNVBAGLBSA-N	307.375	1.084	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2ccc(C#N)cc2)n1	175265320	KYIFNDIPXDVUCG-UHFFFAOYSA-N	312.333	1.492	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cn(C)nc1C)c1ccccc1	113054526	ZDBTZJAHOLCALG-ZDUSSCGKSA-N	300.362	1.683	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1ccnc(Cl)c1	26529923	PXRYXSVMNWRURD-UHFFFAOYSA-N	323.711	1.714	50	20	DDGD	
CC(=O)N1CCc2cc(NC(=O)NNC(=O)C(C)(C)C)ccc21	179701946	YMRJDTLBMRMOCT-UHFFFAOYSA-N	318.377	1.794	50	20	DDGD	
O=C(CCC(=O)N1CCOCC1)NNc1c(F)cccc1F	118512944	XMCWPWUCCLNCMM-UHFFFAOYSA-N	313.304	1.047	50	20	DDGD	
C[S@@](=O)CCNS(=O)(=O)c1ccc(CCCl)cc1	134730075	NWFHOAWALMBFGV-KRWDZBQOSA-N	309.840	1.125	50	20	DDGD	
O=C(CCCCc1cccc(O)c1)NNC(=O)[C@H]1CCCCO1	1263836004	MVDGPVQLWBSXMK-OAHLLOKOSA-N	320.389	1.822	50	20	DDGD	
O=C(NNc1ccc(Br)cc1)c1cc[nH]c(=O)c1	178471195	AOGQJDZMHZRVIZ-UHFFFAOYSA-N	308.135	1.894	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)n1	175389466	VKCSWKMUBVLCRJ-SRVKXCTJSA-N	307.398	1.498	50	20	DDGD	
CC(=O)NCc1ccc(C(=O)NNC(=O)NC2CCCC2)cc1	68284007	FWUYWAFVALAHRG-UHFFFAOYSA-N	318.377	1.209	50	20	DDGD	
CCCC[C@H]1CCC[C@@H]1NC(=O)NNC(=O)C(=O)N1CCCC1	69882471	ZGJZVZIJYYSFCE-STQMWFEESA-N	324.425	1.298	50	20	DDGD	
O=C(NNC(=S)NCC(F)(F)F)c1ccc2c(c1)OCO2	64080988	RRMHPZWYJDFGCP-UHFFFAOYSA-N	321.280	1.087	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@H](C)N2CCC(C)CC2)n1	67707393	LBTZYFDSJIWWBO-LBPRGKRZSA-N	322.413	1.232	50	20	DDGD	
CC(=O)CC(C)(C)CC(=O)NNC(=O)CCc1ccccc1O	188377641	RZQFRCZLDHNODU-UHFFFAOYSA-N	320.389	1.868	50	20	DDGD	
CCOCCC(=O)NNC(=O)CCSc1ccc(F)cc1	76839880	CHMDSKTZSVAKLP-UHFFFAOYSA-N	314.382	1.882	50	20	DDGD	
CC(C)[C@]1(C)C[C@@H]1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	185203408	LLPLEIBIVOWCND-WHCBVINPSA-N	318.373	1.656	50	20	DDGD	
Cc1cc(NNC(=O)CSCc2ccccn2)nc(C)n1	128856933	ZTNYEHLSJYTADR-UHFFFAOYSA-N	303.391	1.865	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1ccccc1-c1ccccc1	74006037	USOVLDLGBUENAC-UHFFFAOYSA-N	306.343	1.903	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cccc(Cl)c2)nn1	123778997	GZZLGVHWMYVKEJ-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)C(N)=O)c1C	182545955	NRHWHRXMIBVBJI-KYJZABPNSA-N	302.378	1.412	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cccc(Br)n1	182588226	FMHQHFVZFIONIP-UHFFFAOYSA-N	300.156	1.651	50	20	DDGD	
O=C(C[C@@H]1COC(=O)C1)NNc1ccc([N+](=O)[O-])cc1Cl	125841343	JRVXCRIAYLFQMX-ZETCQYMHSA-N	313.697	1.645	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cccc(Cl)c2F)n1	122924141	QPIAYRITEHDLGB-UHFFFAOYSA-N	324.743	1.754	50	20	DDGD	
CC1(C(=O)NNC(=O)COc2ccc(C#N)cc2)CCCC1	72655549	FKIBABVZKHTGON-UHFFFAOYSA-N	301.346	1.665	50	20	DDGD	
COc1ccccc1C(=O)NNc1cccc(S(C)(=O)=O)c1	181154616	WQJFJCMKGFGQJT-UHFFFAOYSA-N	320.370	1.856	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCCc1cccc(C(=O)OC)c1	131263541	VJRVRZXZAFOLQC-SDNWHVSQSA-N	302.330	1.576	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H](C(=O)NNc1ncccn1)C2	133341658	UTONXEXYGAUNEW-NSHDSACASA-N	300.318	1.180	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cc(C)c(OC)c(C)c1	194177159	PCRWQDPXDNGWKZ-VIFPVBQESA-N	314.407	1.668	50	20	DDGD	
CN(C)C(=O)NNC(=O)Cc1ccc(F)c(Br)c1	194939432	ACEVANJVFBOKAI-UHFFFAOYSA-N	318.146	1.433	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1	132303848	APZKYKTWEMDSCX-UHFFFAOYSA-N	303.362	1.193	50	20	DDGD	
CCc1c(C(=O)NNC(C)=O)cnn1-c1cccc(Cl)c1	193146076	NDQFIWRAUQLOTI-UHFFFAOYSA-N	306.753	1.869	50	20	DDGD	
COCCO[C@H]1CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C1	194887197	CAVNSYZAMPMTSS-DNXIFWLFSA-N	316.357	1.563	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccn(-c2cc(C)ccc2OC)n1	146744661	PBILWJTXPGOJBO-UHFFFAOYSA-N	318.333	1.580	50	20	DDGD	
O=C(NNc1cnccn1)Nc1ccn(Cc2ccccc2)n1	92430255	NMSRSPTWVFBEIK-UHFFFAOYSA-N	309.333	1.870	50	20	DDGD	
Cn1ccc(C(=O)NN=c2sc3ccccc3n2C)cc1=O	255007695	FFVGFHWTVWFRQR-UHFFFAOYSA-N	314.370	1.184	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)NC(=O)C2CCCC2)nc(C)n1	265566728	VAOXTNNBKCXGDM-SNVBAGLBSA-N	305.382	1.231	50	20	DDGD	
Cn1ccnc(NNC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c1=O	267249939	UMIJCNHQXPBTMP-BDAKNGLRSA-N	318.299	1.592	50	20	DDGD	
C[C@H]1CCC[C@H]1NC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	266886982	XUCNWPCRENBDPF-GZMMTYOYSA-N	322.321	1.433	50	20	DDGD	
CN(C)C(=O)NNC(=O)C1(OCc2ccccc2)CCOCC1	269385762	ADZOBLONOHNQQT-UHFFFAOYSA-N	321.377	1.055	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N[C@@H]1C[C@H]1C1CCCCC1	266798274	UBGREIZALPSHLU-LSDHHAIUSA-N	316.405	1.923	50	20	DDGD	
Cc1c(NNC(=O)N[C@H](C)C(=O)N(C)C)cccc1[N+](=O)[O-]	263953201	FBWBVLIMLMLNJT-SECBINFHSA-N	309.326	1.006	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C[C@@H]1CCCCO1	267913853	FJZBNOPBRVGYJM-LBPRGKRZSA-N	322.361	1.181	50	20	DDGD	
O=C(Cc1cc(Br)ccc1F)NNC(=O)C1CC1	269312279	GEFDNWHGVNNJCE-UHFFFAOYSA-N	315.142	1.688	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)NNC(=O)c2cccc(Cl)c2)C1	363042373	JNPWZYALFDRMBU-HNNXBMFYSA-N	323.780	1.360	50	20	DDGD	
C[C@@H](O)C[C@@H]1CCCCN1CC(=O)NNC(=O)c1ccccc1	279705925	HMBRTZZRIXTXQK-HIFRSBDPSA-N	319.405	1.073	50	20	DDGD	
CSC[C@@H]1CCCN1C(=O)NNC(=O)c1cccc(C)n1	279676262	OBSGONOTSGKWAP-NSHDSACASA-N	308.407	1.572	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H](C)N2[C@@H](C)CC[C@H]2C)n1	279757386	DSBUZZXRKJZJDX-FRRDWIJNSA-N	304.394	1.412	50	20	DDGD	
N#CC1=CCN(C(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)CC1	272664652	ILCFSIXKMJSTGR-OAHLLOKOSA-N	313.332	1.861	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CC[C@@H]([C@@H](C)O)C2)cc(C#N)n1C	273051933	WWNHSCURTFEABW-LYFKEXLNSA-N	312.373	1.341	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1cc(C)c(OC)cc1C	274375757	RGWNLFGUQMECPJ-UHFFFAOYSA-N	315.395	1.167	50	20	DDGD	
CCOC(=O)C[C@H](C)CNC(=O)NNc1cccc([N+](=O)[O-])c1	270486764	FNJDHVBHADRTMY-JTQLQIEISA-N	324.337	1.810	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12	276705800	JFICLKWAYCVYNL-YGRLFVJLSA-N	306.391	1.287	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNc1ccccc1C(F)(F)F	270527317	SWEIRSMFROBBSZ-ZETCQYMHSA-N	305.256	1.893	50	20	DDGD	
C=CC[C@H](C)NC(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C	273606230	SHLMOFOCTXGMIN-UWVGGRQHSA-N	314.386	1.195	50	20	DDGD	
Cc1cccnc1NNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C	276702401	IWMKNMRMGKJIEB-UHFFFAOYSA-N	318.337	1.645	50	20	DDGD	
O=C(NNc1cccnn1)[C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2	370568494	LVWLFMGQVYWEPB-KHUVANEUSA-N	302.256	1.276	50	20	DDGD	
COC(=O)[C@H]1CCC[C@H](C(=O)NNc2ccc(OC)cn2)C1	275697924	YKTXLAXSBMBFIF-QWRGUYRKSA-N	307.350	1.513	50	20	DDGD	
C=CC[C@H](C(=O)NNC(=O)N1CCN(C)CC1)c1ccccc1	287711696	FHXHRVBUULMVBL-HNNXBMFYSA-N	316.405	1.335	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1	376015701	GLSAPXTWBKXVRM-ZDUSSCGKSA-N	323.368	1.767	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)C[C@H]2CCCC[C@@H]2O)c1	280845207	VWQZYLOABZRQHS-DOMZBBRYSA-N	319.405	1.455	50	20	DDGD	
Cn1/c(=N\NC(=O)NCC2=CCCOC2)sc2ccccc21	288113825	XPLCHXVYWPRFIL-OBGWFSINSA-N	318.402	1.701	50	20	DDGD	
CN(NC(=O)c1cc(OC(F)F)n(C)n1)C(=O)OC(C)(C)C	297237327	MTDOXUOPENNEAO-UHFFFAOYSA-N	320.296	1.533	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCc1nc(C2CC2)n[nH]1	296148964	RLKVSHAJWZKRRV-KPKJPENVSA-N	309.329	1.611	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccc2oc(O)nc2c1	805167273	WSDOLTSEUFAQNC-UHFFFAOYSA-N	303.196	1.247	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H](C)c2ccc3c(c2)OCO3)n1	292770714	SPOGCCVLMPSKDQ-SECBINFHSA-N	316.317	1.461	50	20	DDGD	
CCC(CC)N(CC)CC(=O)NNC(=O)c1cccc(C#N)c1	808782217	KFPIARGJADQGGR-UHFFFAOYSA-N	316.405	1.830	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](OC(C)C)c2ccccc2)[nH]n1	292627094	YKHUVKQBMJYKBB-CQSZACIVSA-N	316.361	1.645	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802118963	SDCLYKILMWVEJJ-CHWSQXEVSA-N	306.366	1.330	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)c1ccc2cncn2c1	807049307	UDDQSYXJWYIJCF-UHFFFAOYSA-N	320.312	1.740	50	20	DDGD	
CCOc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)CC2CC2)c1	294187554	OOCCTRYUAYTCJX-UHFFFAOYSA-N	307.306	1.555	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)CCCc2ccccc2)n1	292951911	FFFCWTBQXXCHND-UHFFFAOYSA-N	315.377	1.390	50	20	DDGD	
C[C@H](CBr)COC(=O)c1cnc2[nH]c(O)nc2c1	808636994	NEDHOYYQVSLPKO-ZCFIWIBFSA-N	314.139	1.851	50	20	DDGD	
CN(NC(=O)[C@H]1CCCN1C(=O)C(F)(F)F)c1ccccc1	806459050	AOZBKZOJIUKVJI-LLVKDONJSA-N	315.295	1.707	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(O)cc(C#N)c2)nc1	809737611	JSCGNZQVDLICOW-UHFFFAOYSA-N	312.285	1.202	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1occ2c1CCC2	803879551	OBLRKVFHTQVGDT-JTQLQIEISA-N	322.361	1.507	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNc1ncc(C(=O)OCC)c(C)n1	294839942	BKDDNGXOMSZIDE-LLVKDONJSA-N	310.354	1.220	50	20	DDGD	
CSc1cccc(NC(=O)NNc2nc3ccccn3n2)n1	806785623	XCGVSRKDYPQZMC-UHFFFAOYSA-N	315.362	1.995	50	20	DDGD	
O=C(NNC(=O)C1(F)CCCCC1)[C@@H]1COc2ccccc2O1	809949787	AVFPMCNUZDBKFZ-ZDUSSCGKSA-N	322.336	1.646	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@@H]1CCC[C@H]2OCC[C@@H]12	298110174	YOAXWLFTLVHNLF-MVWJERBFSA-N	312.320	1.944	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCc2ccccc21)[C@@H]1CCCCO1	295622143	RRUCYIGWXWXOPC-GJZGRUSLSA-N	302.374	1.823	50	20	DDGD	
Cc1cc(C)nc(C(=O)NNC(=O)c2c(C)nc3ccccn23)c1	801112365	QVPYNTZQGZJIMY-UHFFFAOYSA-N	323.356	1.729	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C#N)cc1)c1cn(C)c(C)n1	800805861	FPZITHCMTREOOK-UHFFFAOYSA-N	311.345	1.519	50	20	DDGD	
C[C@@H](Oc1cccnc1)C(=O)NNc1ccc2c(=O)[nH]ccc2c1	803439022	PDJZSNWETDSUNO-LLVKDONJSA-N	324.340	1.834	50	20	DDGD	
COC(=O)CCCCC(=O)NNc1cccc(NC(C)=O)c1	293831991	DPPLSGPIQMKWAK-UHFFFAOYSA-N	307.350	1.822	50	20	DDGD	
O=C(COC1CCCC1)NNc1ccc(-n2ccnc2)nn1	804955875	YWKRJXTXMUDPRI-UHFFFAOYSA-N	302.338	1.065	50	20	DDGD	
CCNC(=O)NNC(=O)c1cccc(F)c1Br	814626206	KPADPMRWYAAXHU-UHFFFAOYSA-N	304.119	1.552	50	20	DDGD	
O=C(CCCNC(=O)c1ccsc1)NNc1ncncc1F	817079829	MOEJTOSKUTYNOY-UHFFFAOYSA-N	323.353	1.331	50	20	DDGD	
CC(=O)N/C(=C\c1cccs1)C(=O)NNC(=O)C1CCCC1	817517284	PTCHZVQCLVZNOZ-LCYFTJDESA-N	321.402	1.563	50	20	DDGD	
Cc1nn(C)c2cc(NC(=O)NNc3ncc(F)cn3)ccc12	812991536	QSJJSRZGXHXGGD-UHFFFAOYSA-N	315.312	1.959	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)/C=C/c1cncc(C)c1	819728199	UFIFMYYVVWSQKR-BQYQJAHWSA-N	321.377	1.340	50	20	DDGD	
CC1(C(=O)NNC(=O)Cn2ccc3ccccc32)CCOCC1	729452024	PHAHEKYKROUFFE-UHFFFAOYSA-N	315.373	1.605	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C1(C(F)(F)F)CCCCC1	826753296	CDMSGZGSOLOBAB-UHFFFAOYSA-N	318.299	1.992	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NN=c2sc3ccccc3n2C)CO1	827607945	UKKOGFYWFLTTLQ-UWVGGRQHSA-N	306.391	1.532	50	20	DDGD	
C#C[C@H](CC)NC(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	491766342	GYZVZOVSOVOMEI-ZYHUDNBSSA-N	323.780	1.850	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)Cc2ccc(Cl)cc2)CO1	827607150	PTOJVKYEZHGLFP-CABZTGNLSA-N	311.769	1.390	50	20	DDGD	
C[C@H](CNS(=O)(=O)CCl)N1CCc2sccc2C1	829921713	VOPGOWFXFBZSOX-SECBINFHSA-N	308.856	1.610	50	20	DDGD	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NN(C)[C@@H](C)CO	823987658	KPJWEFPAPSUXIY-UWVGGRQHSA-N	313.379	1.419	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@H](O)C2CCCCC2)cn1	491008425	HZFXNQQDPXZMSP-LULHVWEPSA-N	302.378	1.384	50	20	DDGD	
CCN(CCO)NC(=O)c1sc(-c2c(C)noc2C)nc1C	823889213	MODAZUSLVIPSSF-UHFFFAOYSA-N	324.406	1.682	50	20	DDGD	
C[C@H]1[C@@H](C)N(C(=O)/C(C#N)=C/c2ccc(O)cc2)CC[S@@]1=O	490663561	KEZLJLSMQPLBAX-ILNFPIKPSA-N	318.398	1.667	50	20	DDGD	
O=C(CCCc1cccnc1)NNC(=O)NCc1ccco1	823793088	KVVXNDSYRPOQGW-UHFFFAOYSA-N	302.334	1.528	50	20	DDGD	
CCOC(=O)NN=Cc1cnc2cnc(Br)cn12	493139695	SXSCVBSGTQWRLJ-UHFFFAOYSA-N	312.127	1.572	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N(C)[C@H](C)c1ccc(F)cc1	827315284	PCPRSAQOWMFNIY-UHIISALHSA-N	323.368	1.984	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@@H](O)CCc2ccccc2)cn1	491160972	MUPVIKCUMZBCBS-NDCSFFLDSA-N	324.384	1.437	50	20	DDGD	
CN(NC(=O)CN1Cc2ccccc2C1=O)C(=O)OC(C)(C)C	496665588	XJXJCFWMNQTEEQ-UHFFFAOYSA-N	319.361	1.541	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@@]1(C(=O)O)CCSC1	909349075	WRTYQVQBDCHOFQ-HQJQHLMTSA-N	324.240	1.873	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCNC(=O)[C@@H]1CC1CCCCC1	491012977	SNXHQUGFYXWFEK-ZQHYZAEZSA-N	319.405	1.728	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)COCc1nc2ccccc2s1	823988700	VRJCIESNUOWUOZ-JTQLQIEISA-N	309.391	1.157	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc(NC(=O)O)cc1)C1CC1	825465122	HONUOCHFYUWMRJ-MRVPVSSYSA-N	322.390	1.684	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C	823913243	QPCAAJROAWNOGA-MNOVXSKESA-N	302.415	1.334	50	20	DDGD	
C[C@@]1(c2ccccc2)CCCN(C(=O)c2cccc(B(O)O)c2)C1	584946724	ZFVWOCHYZOSCNP-LJQANCHMSA-N	323.201	1.560	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1cnn(-c2ccccc2)c1	588616168	VITWCQVWIZBDTB-ZSOIEALJSA-N	302.359	1.628	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NC[C@@]2(C)CCOC2)c1	733336064	IVJPMOVQWMEZQK-MRXNPFEDSA-N	321.377	1.131	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)Nc1ccc2c(c1)OCO2)C(C)C	491553776	CLXJFCXZOWXWRI-NSHDSACASA-N	318.333	1.409	50	20	DDGD	
OB(O)[C@H]1CCN(c2nc(-c3ccccn3)nc3c2CCC3)C1	585072524	BYNSWCUMGAKJRU-NSHDSACASA-N	310.166	1.080	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)/C=C/[C@H]2CCOC2)c(OC)c1	493254406	CIJYDOQYXWGYSQ-GQOHGMTASA-N	320.345	1.058	50	20	DDGD	
CCN(CCCN1CCCC1)C(=O)/C(C#N)=C/c1cnn(C)c1	491175691	MEYJARROINIVQZ-LFIBNONCSA-N	315.421	1.661	50	20	DDGD	
CSC[C@@H](NCc1ccccc1B(O)O)c1ccccc1	585028618	MBNYSBSMLHGEGX-MRXNPFEDSA-N	301.220	1.560	50	20	DDGD	
CCc1noc(C(=O)NNc2nc(C(F)(F)F)cs2)n1	902648803	QRYUYKWUVFXJDL-UHFFFAOYSA-N	307.257	1.864	50	20	DDGD	
Cc1cc(C=NNC(=O)CNC(=O)OC(C)(C)C)c(C)n1C	496044801	QNPJCKMGPROASC-UHFFFAOYSA-N	308.382	1.617	50	20	DDGD	
CC(=NNC(=O)c1nnn(C)c1C)c1cc(C(=O)O)cs1	835018950	JVMPBYFSQSZRIQ-UHFFFAOYSA-N	307.335	1.037	50	20	DDGD	
C[C@]1(C(=O)NC[C@@H]2CCN(C3CC3)C2)C[C@H]1Br	906361709	LJIJKXGDLLJALS-NDMJEZRESA-N	301.228	1.760	50	20	DDGD	
CC(C)OCc1ccccc1CNCc1ccc(B(O)O)o1	585019360	KSWDEJNXHGDLOO-UHFFFAOYSA-N	303.167	1.174	50	20	DDGD	
COc1ccc2cc(C(=O)NNC(=O)NC3CC3)cnc2c1	906416035	IPQXAVWPDWAKPO-UHFFFAOYSA-N	300.318	1.350	50	20	DDGD	
CN(C)[C@H](C(=O)N1CC[C@@H](B(O)O)C1)c1cccc(Cl)c1	585068495	BPQZOFBZDTXQJR-YPMHNXCESA-N	310.590	1.018	50	20	DDGD	
COC(=O)[C@]1(F)CCN(C(=O)[C@]2(C)C[C@H]2Br)C1	906878849	MWXSCOIPQCLAKF-ONOSFVFSSA-N	308.147	1.274	50	20	DDGD	
OB(O)c1ccccc1CNc1ccccc1N1CCCCC1	585011702	BRWKCOZBKZJUJI-UHFFFAOYSA-N	310.206	1.969	50	20	DDGD	
COCc1ccc(C(=O)NNC(=S)NC(C)(C)C)cc1F	900002063	YHMIVPRWCKQGTL-UHFFFAOYSA-N	313.398	1.880	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@]2(Cl)C[C@H]3CC[C@H]2O3)n1	907890904	BEJOYSKWHCXWKS-UDZFHETQSA-N	309.753	1.080	50	20	DDGD	
CCN(CC)CCC(=O)NNC(=S)NC(C1CC1)C1CC1	734754807	DZDHNXJMRBCJSD-UHFFFAOYSA-N	312.483	1.402	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21	908032075	HERAYLFUPRRDJB-NZXMKCKXSA-N	306.293	1.281	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NNC(=O)C2CCC2)cc1C	732048260	WWOYDRVCDSIVFH-UHFFFAOYSA-N	312.391	1.503	50	20	DDGD	
CC(C)CCn1cc(C(=O)NNc2ncc(F)cc2F)nn1	837206355	LCGDOFLOQUPDFE-UHFFFAOYSA-N	310.308	1.754	50	20	DDGD	
CC(C)c1ccccc1OCC(=O)NNC(=O)[C@@H]1CCCCO1	833261169	MHHYICBEOJOVMK-HNNXBMFYSA-N	320.389	1.905	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(Br)nc1)n1cncn1	732838369	NMVPJCMQEBSWTG-SSDOTTSWSA-N	311.143	1.140	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCOC[C@H]1CCCO1	734516788	KGLHHEHJOFJLNW-CYBMUJFWSA-N	321.377	1.135	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1	910177611	MQOZTPLVQNLDQA-NSHDSACASA-N	322.365	1.152	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(N=c2cc[nH]cc2)cc1	910166623	CIRZDLKZIJNCAH-GFCCVEGCSA-N	300.362	1.205	50	20	DDGD	
COCCc1ccc(OCCCC(=O)NNc2nc[nH]n2)cc1	839768715	DJMKIBYYRHIXNV-UHFFFAOYSA-N	319.365	1.296	50	20	DDGD	
Cc1ccc(-n2nnc(C(=O)NNC(=O)C3CCC3)c2C)cc1	732141740	PETJAYTWYWASLV-UHFFFAOYSA-N	313.361	1.445	50	20	DDGD	
O=C(CCCn1ccccc1=O)NNC(=O)CC1CCCC1	735116073	YXPNNLJYMYGNFD-UHFFFAOYSA-N	305.378	1.356	50	20	DDGD	
C[C@H]1NC(=O)N(CCOC(=O)/C(C#N)=C\c2ccccc2)C1=O	837680008	WOUWQHNRKCCXPC-NASPGAHYSA-N	313.313	1.077	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2COCCO2)c(C)c1	745172987	BAGJLTOWOFPHJE-GFCCVEGCSA-N	309.391	1.036	50	20	DDGD	
C[C@@H]1OC(=O)N[C@H]1C(=O)NNc1cccc(Cl)c1Cl	841443777	XOTPKIWUEPUJLS-SSDLBLMSSA-N	304.133	1.933	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cnc3ccsc3c2)cn1	741935727	CLZSHBKDBRXRDL-UHFFFAOYSA-N	301.331	1.105	50	20	DDGD	
Cc1cnn(CCC(=O)NN=c2sc3ccccc3n2C)c1	918280352	IWXBTSIYUCXKCZ-UHFFFAOYSA-N	315.402	1.767	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1	748137337	AMAZLFLKDXQBEX-UHFFFAOYSA-N	304.306	1.057	50	20	DDGD	
CC(C)SCC(=O)NNc1ncc(Br)cn1	848320030	JJXKTNBUUWKNDW-UHFFFAOYSA-N	305.201	1.824	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CCCN)c2cccnc12	841085243	XJXRTBRWHSGAPU-UHFFFAOYSA-N	317.349	1.135	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1ccnn1-c1ccc(F)cc1	842561452	QWUXDSPXDZJACJ-XHDPSFHLSA-N	316.336	1.887	50	20	DDGD	
COC/C(C)=C/C(=O)NNC(=O)CSc1ccc(C)cc1	845088930	GXYOSWHGRHPCCN-XYOKQWHBSA-N	308.403	1.827	50	20	DDGD	
CC(=NNC(=O)CC(F)(F)F)c1cccc(S(N)(=O)=O)c1	917550722	DURZMSUNNQRSOD-UHFFFAOYSA-N	323.296	1.127	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CC[C@H](CF)C2)cc(C#N)n1C	916123566	QAOOQDKBNQAEDZ-HYOZCIEMSA-N	300.337	1.930	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CCC1	843654891	HHIXSCPQJMMWKH-ZIAGYGMSSA-N	316.401	1.989	50	20	DDGD	
CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)NNC(=O)C2CC2)c1	742472787	RBRXCWZKEJWONQ-UHFFFAOYSA-N	321.352	1.981	50	20	DDGD	
O=C(NNC(=O)C1SCCCS1)c1ccccc1F	841003861	GECJZJGOUUZXSX-UHFFFAOYSA-N	300.380	1.783	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1ccc2c(c1)OCC(=O)N2	842556379	AVUXKCNHISTWMB-PWSUYJOCSA-N	317.345	1.283	50	20	DDGD	
O=C(NCCc1ccccc1[N+](=O)[O-])NNc1cccnn1	743671980	DSLXHFJVZHRIOE-UHFFFAOYSA-N	302.294	1.254	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNc1cncc(Cl)n1)C(=O)O	848592860	PWQLIKWTEWZQAJ-SSDOTTSWSA-N	301.734	1.113	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCN(c2ccccc2)C1	843662399	SJSYZLCLKCPSTP-GUTXKFCHSA-N	317.389	1.085	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cc(Cl)nc(C)n2)cc1	747983302	NDBFHZIHCFNMHJ-UHFFFAOYSA-N	320.736	1.982	50	20	DDGD	
O=C(NNC(=S)Nc1ccc2c(c1)OCO2)[C@@H]1CCCCO1	840775021	OWKWHDNUJMNKAP-NSHDSACASA-N	323.374	1.302	50	20	DDGD	
COCCn1cc(C(=O)N(C)CC(Cl)Cl)c(=O)cc1C	848082944	DVJLGJIOXICTMV-UHFFFAOYSA-N	321.204	1.679	50	20	DDGD	
C[C@H]1CCCc2ncc(C(=O)NNc3cc(Cl)nc(N)n3)n21	845934632	RLVNRWFTLZIBRT-ZETCQYMHSA-N	321.772	1.563	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)CNC(=O)c2cccs2)o1	743439054	TZBUZKYPHKFUKR-UHFFFAOYSA-N	302.315	1.093	50	20	DDGD	
CC[C@H](N)CNS(=O)(=O)c1ccc(CCCCl)cc1	842887847	NEIDRAWHIAEFOS-LBPRGKRZSA-N	304.843	1.874	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)c1ncccn1)O[C@H](C)C2	841663476	UOPQKZBKHCESAZ-SNVBAGLBSA-N	312.329	1.573	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)CCc1ccccc1)n1ccnc1	844361168	KDUBDMAQVSPGAP-ZDUSSCGKSA-N	300.362	1.614	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)[C@H](C#N)CC)cc1OC	845086949	INIPRCPUWWFTDT-NSHDSACASA-N	319.361	1.795	50	20	DDGD	
CN1CC[C@H]1CNC(=O)NNc1ccc(OC(F)F)cc1	925408200	PKHLFVUZJFIKKW-JTQLQIEISA-N	300.309	1.618	50	20	DDGD	
CC(C)n1ccc(CC(=O)NNC(=O)c2cccc(Cl)n2)n1	857326250	UILLHZGZINECRP-UHFFFAOYSA-N	321.768	1.516	50	20	DDGD	
CCn1nc(C(=O)NNc2ccc(C#N)c(Cl)c2)ccc1=O	753306155	GTRFOGZRVRPMCE-UHFFFAOYSA-N	317.736	1.545	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)C(C)(C)C)CC1(C)OCCO1	758855242	BWOYPZRVEBNSMD-JTQLQIEISA-N	301.387	1.152	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCOCC2(CCC2)C1	759914877	MEFUOKATXKAQFU-ZDUSSCGKSA-N	311.426	1.071	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc2cnccc2n1)C1CC1	855095085	ISHLISXZSQUWJN-SECBINFHSA-N	315.402	1.537	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)N[C@@H]1CCn2ccnc2C1	852266917	WYAVFRUKRWYRSX-SNVBAGLBSA-N	306.757	1.573	50	20	DDGD	
CC1=C(C(=O)NC[C@]2(C)C[C@H]2Br)C(=O)OC1(C)C	857400953	JXTVPSKDXDXAFM-OQPBUACISA-N	316.195	1.928	50	20	DDGD	
Cc1ccoc1C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855829638	PYHZFABLSMKYGV-UHFFFAOYSA-N	309.366	1.292	50	20	DDGD	
CCN1CC[C@@H](NC(=O)NNc2ccc(F)cc2Cl)C1=O	922383570	MVYDCAMUYFYFQK-LLVKDONJSA-N	314.748	1.726	50	20	DDGD	
CO[C@@H]1CCCCC1=NNC(=O)CCCNC(=O)C(C)(C)C	853409291	SVSYNSIXRUDQOC-CYBMUJFWSA-N	311.426	1.990	50	20	DDGD	
C[C@@]1(NS(=O)(=O)c2ccc(CCCCl)cc2)CCNC1	853083639	YRANIPLLGJAKRB-CQSZACIVSA-N	316.854	1.888	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C[C@@H]1C[C@H]1c1ccccc1	755774009	OFMICOLCJVJWAA-HOTGVXAUSA-N	322.368	1.717	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]21	854162544	MJJVMHBFCZLEPV-MXWKQRLJSA-N	311.382	1.237	50	20	DDGD	
CC[C@@H](C)n1ncc(NC(=O)NNC(=O)COC)c1C1CC1	757798890	FNVWCTSDEKBWJO-SECBINFHSA-N	309.370	1.531	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O)C1CCC1	756732294	DFLRJMXWOCTRAZ-MRVPVSSYSA-N	322.321	1.433	50	20	DDGD	
Cc1onc(CO)c1C(=O)NC[C@]1(C)C[C@@H]1Br	857732526	ASKLICCATNOCDE-KWQFWETISA-N	303.156	1.379	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)c1[nH]nnc1-c1ccccc1	857533382	WOVGUWXFBNNZSJ-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
CCc1ccc([C@@H](C)C(=O)NNC(=O)COCCOC)cc1	869909226	NNPLVWCVJNQMQP-GFCCVEGCSA-N	308.378	1.163	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H](C(=O)O)c1ccccc1	864498398	IZZVCGGIONPPHC-LLVKDONJSA-N	319.810	1.997	50	20	DDGD	
N#Cc1cnc(C(=O)NNC(=O)c2ccncc2)c(Cl)c1	769536158	UGAKGRRECRSONJ-UHFFFAOYSA-N	301.693	1.076	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@@H]1CCO[C@]2(CCSC2)C1	769234098	GACVGIGUODWONK-BXUZGUMPSA-N	313.423	1.172	50	20	DDGD	
C[C@H](NNC(=O)[C@@H](C)NC(=O)c1ccccc1)C(F)(F)F	862305128	WQSVREOLNQJMEN-BDAKNGLRSA-N	303.284	1.377	50	20	DDGD	
CCNc1ncc(C(=O)NNC(=O)OCC(F)(F)F)s1	862215512	KSCOYXKBKNTGNZ-UHFFFAOYSA-N	312.273	1.508	50	20	DDGD	
Cc1oc2ncnc(O)c2c1C(=O)NNC(=S)NC(C)(C)C	769230153	HGAIGYFGYPABKV-UHFFFAOYSA-N	323.378	1.144	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1c([N+](=O)[O-])cnn1C	766630462	OOGRUPNVFGDYLQ-UHFFFAOYSA-N	322.233	1.464	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2c(C)cc(F)cc2C)n[nH]1	869018168	GVDIZCMJCOLCKP-UHFFFAOYSA-N	304.325	1.478	50	20	DDGD	
COC(=O)CCc1cccc(NCc2cccc(B(O)O)c2)c1	864011010	LCZIHLJOTSIQHP-UHFFFAOYSA-N	313.162	1.084	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CCC(=O)N1)c1ccc(Cl)c(N)c1	863149954	JRYNGPOCGJKOHL-GFCCVEGCSA-N	308.769	1.431	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Nc1cc(OC)n[nH]1)c1ccccc1	861382026	UHWZACKFPDNIHW-NSHDSACASA-N	317.349	1.765	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc2oc(=O)ccc2c1	767195039	WQHHBNXFWSFDIT-UHFFFAOYSA-N	304.306	1.491	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1C[C@@H](N)Cc2ccccc21	866772338	SHYFZKJJWFCBEQ-LBPRGKRZSA-N	316.854	1.971	50	20	DDGD	
Cc1cc(Cl)cc2c1OCC2=NNC(=O)[C@H]1CCC(=O)N1	863150464	UZNNRCRDULTWRE-SNVBAGLBSA-N	307.737	1.140	50	20	DDGD	
O=C(Cc1ccc(O)cc1)NNC(=O)c1ccc(Cl)cc1O	760122559	HIFSERWFUSHVEF-UHFFFAOYSA-N	320.732	1.755	50	20	DDGD	
CC1CC(C#N)(C(=O)NNC(=O)c2cc(Cl)ccc2O)C1	767840599	QNJJHUJPWKFUGF-UHFFFAOYSA-N	307.737	1.746	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2coc(C3CC3)n2)cc1	1116662920	SDMJTPFLYUSGIH-UHFFFAOYSA-N	301.302	1.635	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)c(O)c1	763945291	NGNZTENLRQWSJQ-WDEREUQCSA-N	304.346	1.467	50	20	DDGD	
O=C(C[C@@]1(C(=O)O)CCCc2ccccc21)NNC(=O)C1CC1	872831429	OBZCTYJRTQVZDS-KRWDZBQOSA-N	316.357	1.293	50	20	DDGD	
COCc1ccc(NC(=O)NNC(=O)c2cnccn2)cc1	772597661	PNKDXPXULJMBDN-UHFFFAOYSA-N	301.306	1.090	50	20	DDGD	
C[C@H](CBr)COC(=O)CC(=O)NCC(F)(F)F	770414786	JILKJYDLSKNQPT-ZCFIWIBFSA-N	320.105	1.629	50	20	DDGD	
COCCOCC(=O)NN=Cc1cnn(Cc2ccccc2)c1	872403837	UNVQVKXXUKDQMY-UHFFFAOYSA-N	316.361	1.045	50	20	DDGD	
O=C(NNc1ccc(F)cn1)c1cc(N2CCOCC2)ccn1	874652162	WBWBBJYHGOSBGY-UHFFFAOYSA-N	317.324	1.209	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1oc2ccccc2c1OC	875524974	NHQACRWYBFSJSD-UHFFFAOYSA-N	307.306	1.854	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(C[C@@H](C)C(=O)OC)cc1	879195544	OWXPTKNGESNYHY-GFCCVEGCSA-N	323.393	1.653	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)CC2(O)CCCC2)nc1C	778424066	LGUBBAAYSQBLID-UHFFFAOYSA-N	322.365	1.100	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1ccc(NC(C)=O)cc1	872401430	UOMIFASHFVZYOC-UHFFFAOYSA-N	307.350	1.148	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2CCO[C@H](C)C2)c1	776293036	UZRKMDKNWGYPDF-GHMZBOCLSA-N	322.361	1.280	50	20	DDGD	
COc1cccc(NC(=O)NNC(C)=O)c1Br	1116632960	ZBYZQEAXUJSWBH-UHFFFAOYSA-N	302.128	1.630	50	20	DDGD	
CC(=O)N(C)CC(=O)NNC(=S)Nc1ccc(C)cc1C	873758530	SDOYHNNYMBNZEK-UHFFFAOYSA-N	308.407	1.099	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)C(=O)c1c[nH]c2cc(F)ccc12	878207410	SCCIIDVIXSDJOV-UHFFFAOYSA-N	317.320	1.827	50	20	DDGD	
C[C@@H]1CN(C[C@@H](C)C(=O)NN=Cc2cnsc2)C[C@@H](C)O1	872336841	NKFUPBWDOCAHDC-IJLUTSLNSA-N	310.423	1.339	50	20	DDGD	
COc1ccc(OCCNC(=O)NN=c2cc[nH]c(C)c2)cc1	875023664	IKXQRCDEYBAKOW-UHFFFAOYSA-N	316.361	1.526	50	20	DDGD	
CCC[C@H]1C[C@H](C(=O)NNC(=S)NCC2CCC2)CCO1	779902681	TYDWNWCYTHLWRN-OLZOCXBDSA-N	313.467	1.877	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1c[nH]nc1-c1ccc(C)cc1	779821541	ZTCMYACXLCJJDH-UHFFFAOYSA-N	315.333	1.191	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@@H]1CCCc2ccccc21	883042374	VDANWMIREBOZAQ-OAHLLOKOSA-N	317.389	1.821	50	20	DDGD	
CN(C)c1cc(NC(=O)NNC(=O)CC(F)(F)F)ccn1	880609705	RKOYFHKDHZUOFK-UHFFFAOYSA-N	305.260	1.253	50	20	DDGD	
CC1(C)C[C@]1(C(=O)NNC(=O)c1cccnn1)c1ccccc1	882055830	GUPDREDGKZWZDL-QGZVFWFLSA-N	310.357	1.606	50	20	DDGD	
CC(C)COc1ccccc1C(=O)NNC(=O)c1cccnn1	882060822	WMKLURUPYDDUFM-UHFFFAOYSA-N	314.345	1.586	50	20	DDGD	
CCOC1CC(CC(=O)NNc2ccc(C(=O)OC)cn2)C1	789831810	JQLCTMURBRUCDV-UHFFFAOYSA-N	307.350	1.517	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)COC2CCOCC2)c1	780795442	KVUCAHXOYKDUPX-UHFFFAOYSA-N	308.334	1.112	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCC(=O)[C@H](C)C2)c1	780800372	IXCUAXFLTJWGNI-MNOVXSKESA-N	304.346	1.922	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccccc1OC1CC1	883069909	AHOALIHXOKICRX-UHFFFAOYSA-N	304.346	1.415	50	20	DDGD	
Cc1ccc(C(F)(F)C(=O)NNC(=O)c2cccnc2)cc1	780322515	NSGVNKSKHLFQSO-UHFFFAOYSA-N	305.284	1.943	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2ccc(C)c(O)c2)ccn1C	882050793	HYAIRKXWZYDHAZ-UHFFFAOYSA-N	301.346	1.676	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1	786866168	SOCJWAMFZWGBBG-NXEZZACHSA-N	322.317	1.801	50	20	DDGD	
CC1(C)CN(S(=O)(=O)CCCCl)C[C@@]2(CCOC2)O1	882147098	JKBSNOMUHKNSRF-GFCCVEGCSA-N	311.831	1.215	50	20	DDGD	
CCc1cc(C(=O)NNc2nccc(N(CC)CC)n2)no1	896995694	OKVLTOKCRJOFES-UHFFFAOYSA-N	304.354	1.630	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccc(CO)c(F)c1	788301295	PUYZKFNGGFSMPA-UHFFFAOYSA-N	305.265	1.983	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCc2cccnc2C)n1	898934597	VSBNSPPDTDOKQE-UHFFFAOYSA-N	300.366	1.666	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1ccc(N2CCOC2=O)cc1	782881232	RDCGVXHTQZCESV-ACCUITESSA-N	315.329	1.703	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1ccc(F)cn1)c1ccccc1	783966366	OCSSKVDSYWKDRY-UHFFFAOYSA-N	301.321	1.960	50	20	DDGD	
C[C@H](OC(=O)/C(C#N)=C/c1ccccc1)C(=O)Nc1ncccn1	785351756	WEAFIIVISQWCJO-LQELWAHVSA-N	322.324	1.954	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccnc(C)c2)cc1OC	789867591	SVJRQDMYCBOHLA-UHFFFAOYSA-N	315.329	1.482	50	20	DDGD	
COc1cccc(C=NNC(=O)COc2ccc(F)cc2)n1	790150234	JYNKFZPTUWTOJU-UHFFFAOYSA-N	303.293	1.758	50	20	DDGD	
Cc1ccc(/C=C(\C#N)S(N)(=O)=O)c(Br)c1	799893052	DJFYBDRUPYCTFI-WEVVVXLNSA-N	301.165	1.911	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H]1CCNC(=O)C1	798142436	QUCJRCMHSXSCBW-MRVPVSSYSA-N	311.773	1.223	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)COCc2ncc(C)o2)cc1	794775224	NQUULPAAMNOSRY-UHFFFAOYSA-N	317.345	1.523	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2ccc(Cl)nn2)n2cccc21	790744879	DLEGPIBURGXLAR-SECBINFHSA-N	305.725	1.592	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1Br)S(N)(=O)=O	799894240	PWYVOOWXYLIJTK-BAQGIRSFSA-N	305.128	1.741	50	20	DDGD	
CCOC1(C(=O)NNC(=O)c2ccc3c(c2)OCO3)CCCC1	793462165	PYQXSSKNFIVLTQ-UHFFFAOYSA-N	320.345	1.526	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCc2cccc(O)c2)n1	792892824	HSVGWCOIEJUDHG-UHFFFAOYSA-N	300.318	1.240	50	20	DDGD	
COc1cc(C(=O)NN=Cc2cn(C)cn2)ccc1OC(C)C	794484700	XEMAMOSAEPLSFT-UHFFFAOYSA-N	316.361	1.980	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@]2(C)CCCS2)cc1	1319268627	SWIHEFHRPFQYGL-HNNXBMFYSA-N	323.418	1.925	50	20	DDGD	
CCc1oc2ccccc2c1C(=O)NNc1nnc(C)c(O)n1	1319721306	SRVXTBPKJVRJGM-UHFFFAOYSA-N	313.317	1.951	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@H](C)c1ccccc1OC(C)C	1323431662	HGQUPFNVBGZJFC-SNVBAGLBSA-N	323.349	1.038	50	20	DDGD	
CCCc1n[nH]cc1C(=O)NNCC(F)(F)C(F)(F)F	1329190260	DTWZQYXLJNFHRY-UHFFFAOYSA-N	300.231	1.794	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1cnc(C(C)C)[nH]1	1320374761	QEBACEGVKSEQIN-SNVBAGLBSA-N	324.381	1.272	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cn(C)nc2C(C)C)cc1	1251137156	OAZOJFLQFKNWAX-UHFFFAOYSA-N	316.361	1.627	50	20	DDGD	
C[C@]1(Cn2nnnc2N2CC[C@@H]3C[C@H]3C2)C[C@H]1Br	1334616672	POSIRVVCEKMHEM-DTHBNOIPSA-N	312.215	1.693	50	20	DDGD	
CCCN1CCCC[C@@H]1C(=O)NNC(=S)Nc1ccccn1	1330313483	VLDUTUNRBJITEW-GFCCVEGCSA-N	321.450	1.664	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cc(C(C)C)on2)nc(C)n1	1338631554	NYLJZGMPNDKZCQ-UHFFFAOYSA-N	318.337	1.287	50	20	DDGD	
Cc1nn(CC(F)(F)F)cc1C(=O)NNc1cccnn1	1337676596	BFSBKWSLYOZBQW-UHFFFAOYSA-N	300.244	1.301	50	20	DDGD	
Cc1cc(C(F)(F)F)cc(C)c1NC(=O)NNC(=O)CCO	1330769286	SEIWNJVYUAVBKY-UHFFFAOYSA-N	319.283	1.857	50	20	DDGD	
C[C@]1(COC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C[C@@H]1Br	1348962714	WCUQKMHKPNMRBP-HKLXJQGRSA-N	319.195	1.755	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1F)[C@@H]1OC[C@@H]2COCC[C@@H]21	1347354110	QFAWUHYIXLXHBQ-DXVIDONBSA-N	316.279	1.599	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)NC[C@H]2CCOC2)cc1	1341263424	SCTJURUVVFMMPY-LLVKDONJSA-N	321.381	1.125	50	20	DDGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)C12CC(CN1)C2	1353327244	WFJYWXHJTCSFFO-UHFFFAOYSA-N	319.752	1.585	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccc(-n3cccn3)cc2)nc1	1602383357	GQYOMCAYHSEAAH-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNc2ccc(C(=O)O)cc2OC)O1	1609945927	GPVMYRXDIXECFR-ZYHUDNBSSA-N	308.334	1.794	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccc(CO)cc2)c(F)c1	1602383216	XYBNEJRAWGEUDU-UHFFFAOYSA-N	304.277	1.773	50	20	DDGD	
O=C(NNc1c(F)cccc1Cl)c1c[nH]c(-c2nn[nH]n2)c1	1606853671	YDSNKKSFCXQJOT-UHFFFAOYSA-N	321.703	1.744	50	20	DDGD	
O=C(NCc1ncccc1F)NNc1ccc(F)c(C(=O)O)c1	1608477072	KLENUBWNFCIPSM-UHFFFAOYSA-N	322.271	1.884	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1cc(C(=O)O)n(C)c1	1604165819	VQBTTYFNSOIQGZ-GFCCVEGCSA-N	320.393	1.295	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNc1ccc(F)c(C(=O)O)c1	1603297841	BXTZBZSRZRWGFG-UHFFFAOYSA-N	311.313	1.129	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cccn2[C@H](C)C(=O)O)n1	1607629767	HGRRUGVVSNFFME-GFCCVEGCSA-N	317.349	1.097	50	20	DDGD	
O=C(NNc1ncncc1F)Nc1ccc(C(=O)O)c(F)c1	1601562920	BMUBCTQJYXGALA-UHFFFAOYSA-N	309.232	1.602	50	20	DDGD	
CCCCC(C)=NNC(=O)COc1ccccc1-c1nn[nH]n1	1609207453	HVQZUYWARLOPSZ-UHFFFAOYSA-N	316.365	1.928	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2cccc(-c3nn[nH]n3)c2)n1	1609430494	YCYSHANHHNMNQO-UHFFFAOYSA-N	307.317	1.334	50	20	DDGD	
CC(C)CC(=O)NCCC(=O)NNc1ccc(CC(=O)O)cc1	1603760978	CSMXQPLKVYYNFN-UHFFFAOYSA-N	321.377	1.309	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@](C)(CC(=O)O)C2CC2)cn1	1600944662	BIHAOZAAFGOVLX-IWOOQVRJSA-N	302.334	1.087	50	20	DDGD	
CN(CCCC=NNC(=O)NCC(=O)O)C(=O)OC(C)(C)C	1606117643	WRCXTNZHLTYYJQ-UHFFFAOYSA-N	316.358	1.003	50	20	DDGD	
Cc1ccc(NNC(=O)c2cccc(C(N)=O)c2)cc1C(=O)O	1607809559	UUPNHGVZIOAHSK-UHFFFAOYSA-N	313.313	1.549	50	20	DDGD	
C[C@@H](CBr)CN1CCC2(CC1)CC(C(=O)O)=NO2	1609725379	AMVDNMMTMFIGEN-VIFPVBQESA-N	319.199	1.713	50	20	DDGD	
CCc1cnccc1C(C)=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549318787	DROIQCOZUHEXDR-GOEBONIOSA-N	316.405	1.347	50	20	DDGD	
C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](F)Cl)CC2	1825015885	OOTNDQQHCARPMY-WKEGUHRASA-N	315.757	1.223	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H]2CSCN2)c1	1579673016	UIXSPTGXWZOUQS-LLVKDONJSA-N	310.448	1.284	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@]2(C)CCCN2)cc1	1578427396	GUYMAOJNSFODGZ-HNNXBMFYSA-N	305.382	1.047	50	20	DDGD	
CC(C)c1oncc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	1574451148	DSWYVVNKMMSFIN-UHFFFAOYSA-N	313.321	1.735	50	20	DDGD	
CC1(C)[C@@H](N)C[C@@H]1C(=O)NNC(=O)c1ccc(Cl)cc1O	1576372156	OYWBDHRTFPSLOO-KOLCDFICSA-N	311.769	1.180	50	20	DDGD	
O=C(CCC1CNC1)NNC(=O)c1cc(-c2ccccc2)on1	1580526812	VSMDAFWHXNPBAB-UHFFFAOYSA-N	314.345	1.102	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)C[C@H]1CCNc2ccccc21	1580573055	AUEQRJKWJOXTIS-CQSZACIVSA-N	324.384	1.761	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2ccncc2)o1	1589775474	WFFMKBSFFUXHQS-UHFFFAOYSA-N	314.309	1.130	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1ccnn1C)C2	1845163946	CSGUZWWVZKCVLE-LLVKDONJSA-N	324.812	1.255	50	20	DDGD	
O=C(NNc1nccnc1Cl)[C@@H]1NCC[C@@H]2CCCC[C@H]21	1580743272	XDSFJWYJIJONQJ-HBNTYKKESA-N	309.801	1.741	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)CCc1ccccc1)C(=O)O	1589538477	LBKVRCVKSLQDCK-GFCCVEGCSA-N	307.350	1.060	50	20	DDGD	
CC(=NNC(=O)c1ccoc1)c1ccc(OCC(=O)O)cc1	1589017112	YURRNDGPRGWHKQ-UHFFFAOYSA-N	302.286	1.897	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@]12C[C@H]1CCCN2	1580570205	QKBDYKVFJDOJSC-ABAIWWIYSA-N	307.781	1.172	50	20	DDGD	
COC(C)(C)C(=O)N1CCCC12CN(C(=O)C(Cl)Cl)C2	1841110066	KQYVRAWNWLKJID-UHFFFAOYSA-N	323.220	1.419	50	20	DDGD	
COC(=O)c1cccc([C@H](NNC(=O)CC2CC2)C(=O)O)c1	1598994050	DFVZNQBSMNUXLP-ZDUSSCGKSA-N	306.318	1.020	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@](C)(C#N)CC(=O)O)c(F)c1	1593882859	CRGDVUFWDHCEKL-AWEZNQCLSA-N	323.280	1.060	50	20	DDGD	
O=C(CCc1c[nH]c2ccccc12)NNC(=O)c1ccncc1	15273313	WBGMYANMZOZUDV-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1	161231272	RZLGRTZSLHWFTD-UHFFFAOYSA-N	321.336	1.192	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NCc1ccccn1	160963837	UREJTQYXEOBNHA-UHFFFAOYSA-N	314.345	1.129	50	20	DDGD	
CC1(C)C[C@@H](NC(=O)NNC(=O)c2cccc(C#N)c2)CCO1	163250625	INPINLPNZFZUDJ-ZDUSSCGKSA-N	316.361	1.460	50	20	DDGD	
O=C(NC[C@H]1CCCO1)NNC(=O)c1nc2ccccc2s1	164074496	XZXSPLMQPLLTJS-SECBINFHSA-N	320.374	1.419	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cc2c(s1)CCC2	156128049	MNCBKUFNQBJNGG-UHFFFAOYSA-N	323.418	1.303	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)COc1ccc(C)c(C)c1	154952713	BHYHLXSSMXIXQV-UHFFFAOYSA-N	317.389	1.816	50	20	DDGD	
CCN1CCO[C@@H](C(=O)NNc2ccc(C(F)(F)F)cc2)C1	159858264	LQVVLBLGNDFPQM-GFCCVEGCSA-N	317.311	1.869	50	20	DDGD	
O=S(=O)(NC[C@H](O)C1CCC1)c1ccc(CCl)cc1	315832587	MJGXNUYHSQSVBL-ZDUSSCGKSA-N	303.811	1.865	50	20	DDGD	
CCNC(=O)NNC(=O)c1nnn(-c2ccccc2Cl)c1C	103432320	MIURFOWTTWMORO-UHFFFAOYSA-N	322.756	1.193	50	20	DDGD	
CC(C)N1CCC[C@H](CNC(=O)NNC(=O)OC(C)(C)C)C1	105274500	FXDFHTXOSLIIJS-GFCCVEGCSA-N	314.430	1.846	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C1(c2cccc(F)c2)CCC1	109995750	CVXXVYRSIWGGHP-UHFFFAOYSA-N	316.336	1.740	50	20	DDGD	
CN(C)C(=O)NNC(=O)Cc1ccc(Br)c(F)c1	119333222	XDXYEGWOVLYHIC-UHFFFAOYSA-N	318.146	1.433	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccc(C#N)cn2)cc1	107535794	KWCVKKHKWAKKAI-UHFFFAOYSA-N	310.313	1.102	50	20	DDGD	
CCN1CCN(CCCCNC(=O)NNc2ccccc2)CC1	114929848	LDUQJWFSZPDAHG-UHFFFAOYSA-N	319.453	1.730	50	20	DDGD	
O=C(C[C@H](O)c1cccc(F)c1)NNC(=O)NC1CCCCC1	179604093	BPSYUXBBABZOSP-AWEZNQCLSA-N	323.368	1.912	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@@H]1CCC[C@@H]1c1ccccc1	111900920	FQQZVKKNVUZXIX-KFWWJZLASA-N	317.389	1.832	50	20	DDGD	
O=C(NNC(=O)c1cnc(-c2ccco2)s1)c1ccc[nH]1	171522831	GVCZZRQMAOLVEG-UHFFFAOYSA-N	302.315	1.806	50	20	DDGD	
O=C(CNC(=O)c1cc(F)cc(F)c1)NNc1ccccc1F	119957352	DIKJDEKUZYHNDQ-UHFFFAOYSA-N	323.274	1.977	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)c1ccccc1O	113414009	BHUWQFVVDNZXCY-RISCZKNCSA-N	306.362	1.749	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)n1	67732088	HADBIJVKOWRHTI-NWDGAFQWSA-N	317.324	1.807	50	20	DDGD	
COCCCNC(=O)NNC(=O)/C=C/c1cccc(OC)c1	65212083	IKILLXAICHXECB-BQYQJAHWSA-N	307.350	1.075	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)COC2CCCCC2)cc1	61463325	CUKIDJHMGYDWPA-UHFFFAOYSA-N	301.346	1.669	50	20	DDGD	
CCOC(=O)NNC(=O)COc1ccc(CCC(C)=O)cc1	62931281	FWKHESJLVPXJBP-UHFFFAOYSA-N	308.334	1.364	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccc(F)cc2O)cc1	123207924	DHDXFORRGBNZBI-UHFFFAOYSA-N	318.304	1.680	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)no1	68193500	IDQKOJDENCTTPP-VIFPVBQESA-N	307.281	1.351	50	20	DDGD	
Cc1ccc(Cl)cc1NC(=O)NNC(=O)C(=O)NC1CC1	122060490	SBEAWYYNBZHFDR-UHFFFAOYSA-N	310.741	1.080	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)COCc1ccccc1	67431615	QESXUOHKSRLMIQ-UHFFFAOYSA-N	314.341	1.673	50	20	DDGD	
Cc1cc(F)c2nc(O)cc(C(=O)NNc3ncccn3)c2c1	180250083	UHFFRAFZAFHVAE-UHFFFAOYSA-N	313.292	1.935	50	20	DDGD	
Cc1noc(C)c1C[C@@H](C)NC(=O)NNC(=O)c1ccccc1	122282280	UQVQMTAMZDUZTO-SNVBAGLBSA-N	316.361	1.867	50	20	DDGD	
CO[C@H](C)CCC(=O)NNC(=O)COc1cc(C)ccc1C	182965061	GZEQJPRJHONDBL-CYBMUJFWSA-N	308.378	1.645	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCCCNc1ccccn1	76973949	IRAIXJYYRZBJJX-UHFFFAOYSA-N	307.398	1.650	50	20	DDGD	
O=C(CN1CCCCC1=O)NNc1ccc(OC(F)F)cc1	122009713	FAVPANQFGAAGBF-UHFFFAOYSA-N	313.304	1.744	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)Nc2ccon2)o1	183514779	RCWAULFPUMOTNV-UHFFFAOYSA-N	321.337	1.576	50	20	DDGD	
O=C1CSc2ccc(C(=O)NNc3ccccn3)cc2N1	181181064	WQNGYLMLDCCHTD-UHFFFAOYSA-N	300.343	1.883	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)COC/C=C/c1ccccc1	124275086	FCPKHLNNCKSTFP-RMKNXTFCSA-N	313.357	1.516	50	20	DDGD	
O=C(CN1CCc2ccsc2C1)NNC(=O)c1ccccc1	132480215	IRBWMNLHGHYDCS-UHFFFAOYSA-N	315.398	1.567	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(=O)[nH]c3ccccc23)o1	84373552	YBORBFLRSLOKLK-UHFFFAOYSA-N	311.297	1.504	50	20	DDGD	
O=C(Cc1cccs1)NNC(=O)NCCc1cccs1	49197929	DSUITKVAYAGOIX-UHFFFAOYSA-N	309.416	1.925	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Nc2cccc3ccn(C)c23)cn1	190033771	ARWDMVIHNFPMGW-UHFFFAOYSA-N	312.333	1.378	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)[C@H](c2ccccc2)C2CC2)nn1	130378068	RWMHWKOKGZRADD-CQSZACIVSA-N	311.345	1.212	50	20	DDGD	
CC(C)Oc1cncc(C(=O)NNC(=O)c2cccnc2)c1	133663029	NLIUXQJJCSAOEY-UHFFFAOYSA-N	300.318	1.339	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NCc2sccc2C)n1	46988110	IHIKDXMUOOKJPI-UHFFFAOYSA-N	321.406	1.400	50	20	DDGD	
Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1cccn1C	97635772	WJASYVRAZDJCPI-UHFFFAOYSA-N	321.764	1.827	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)n1	249516967	GIAZFRGHQFNPPR-VXGBXAGGSA-N	322.413	1.232	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)NNC(=O)Cc2ccncc2)C[C@H]1C	248566811	BWPZMRQVHQKBIF-BZPMIXESSA-N	304.394	1.779	50	20	DDGD	
Cc1c(NNC(=O)CNC(=O)C(C)(C)C)cccc1[N+](=O)[O-]	269599338	JSIFTTCYGYCQKW-UHFFFAOYSA-N	308.338	1.509	50	20	DDGD	
COC[C@@H](C)CNC(=O)NNC(=O)C(C)(C)c1ccccc1	264647730	DUMSLLWUEDARFU-LBPRGKRZSA-N	307.394	1.577	50	20	DDGD	
C[C@@H](C(=O)NNc1ncnc2nc[nH]c12)N1CCCCCC1	266479847	QADQBIZBJJJTBV-JTQLQIEISA-N	303.370	1.061	50	20	DDGD	
O=C(NNc1cccnn1)N[C@H]1COc2cc(F)cc(F)c21	368272652	NWLVUDNCIYTZIH-VIFPVBQESA-N	307.260	1.515	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1nnc(C2CC2)s1)C(C)C	273631860	QXTCFOIMNDSZHP-QMMMGPOBSA-N	313.383	1.239	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CC(=O)N(c2ccc(F)c(C)c2)C1	367497524	LXXOORKQBQXOAA-JTQLQIEISA-N	323.324	1.216	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1	274502283	LYLXRJSVSZVFPY-UHFFFAOYSA-N	300.702	1.554	50	20	DDGD	
COc1cc(NNC(=O)c2cc3n(n2)CCO3)ccc1Cl	365609324	NBLCJJOTZNEZEA-UHFFFAOYSA-N	308.725	1.694	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cccc2c1oc(=O)n2C	273493814	XIJGXGPLAXNLAR-UHFFFAOYSA-N	306.322	1.330	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc2c1OCCC2=O	376501750	RLAYMKUPIRNEFP-VIFPVBQESA-N	305.334	1.851	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H]1CCC(=O)[C@H](C)C1(C)C	275492223	FZJNJRZYZSDFAB-VHSXEESVSA-N	306.366	1.570	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C[C@@H]2CCC(=O)[C@H]2C)cc1	279725503	VJFCQMWNCSNHGN-STQMWFEESA-N	318.373	1.527	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1C(=O)NNC(=O)CNC(=O)c1ccco1	280406328	YFRJKJJPOJPZGS-VXGBXAGGSA-N	321.377	1.373	50	20	DDGD	
CSSCCNC(=O)CNC(=O)c1cc(F)cc(F)c1	284089253	MWTHDWJJEMPRPW-UHFFFAOYSA-N	320.386	1.822	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCC1=CCCOC1	287959296	LXHBMFXUYHHICX-UHFFFAOYSA-N	307.325	1.045	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@H]1CCCCS1(=O)=O	286921791	IMGLPYQYJKUOOL-LLVKDONJSA-N	324.406	1.155	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2conc2C2CC2)cc1	280793808	PEHDSDLOHNQQKD-UHFFFAOYSA-N	314.345	1.734	50	20	DDGD	
COC(=O)[C@H]1CC[C@H]1C(=O)NNc1nc(C(F)(F)F)cs1	288122698	YJZYCDZXNRKTSX-RITPCOANSA-N	323.296	1.804	50	20	DDGD	
CCOc1cccc(S(=O)(=O)NNC(=O)[C@H](C)CC)c1	281720904	AFFHTSKQNOCVQZ-SNVBAGLBSA-N	300.380	1.441	50	20	DDGD	
CC(C)[C@@]1(C)C[C@@H]1C(=O)NNc1ccc(-n2ccnc2)nn1	286709332	RNOGIHOAEHOSOL-IAQYHMDHSA-N	300.366	1.788	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCCC1(O)CCC1)c1ccccc1	284905359	MHNOJIZPQYRSFP-CQSZACIVSA-N	319.405	1.816	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CCc1cncn1C	288776764	RSRBPYQEKDHIBY-UHFFFAOYSA-N	303.322	1.713	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)C(C)(C)C2CC2)cc1	805701993	XHEOFKMEFNQRFJ-UHFFFAOYSA-N	318.373	1.735	50	20	DDGD	
CCn1cc([C@H](C)NC(=O)NNC(=O)c2ccccc2F)cn1	296875949	LZSBRILOJPZQFY-JTQLQIEISA-N	319.340	1.747	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccnn2C(C)C)cc1	802057100	ATCBPQHGZKOQRP-UHFFFAOYSA-N	317.349	1.939	50	20	DDGD	
CC(=O)N(C)c1cccc(NC(=O)NNC(=O)[C@@H]2CCCO2)c1	292874481	XLDCVCMSLHNXAK-ZDUSSCGKSA-N	320.349	1.001	50	20	DDGD	
CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)NNc1ncc(F)cc1F	297142660	HQHSAGKLSPUBQT-GDPRMGEGSA-N	312.320	1.799	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)Cc1cccnc1)OC	293659223	LVMPKUQTTNKLAF-UHFFFAOYSA-N	308.382	1.160	50	20	DDGD	
Cc1cn2c(=O)c(C(=O)NNc3ncccc3F)cnc2s1	804213200	MKIBVXKXRHCCBG-UHFFFAOYSA-N	319.321	1.355	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)CCOC(C)C)cc1	298356711	XHGSJOXMBKLNPN-UHFFFAOYSA-N	309.366	1.070	50	20	DDGD	
CO[C@H]1COC[C@@H]1NC(=O)NNc1cc(C(F)(F)F)ccn1	297269369	ZRKRQSREBQNREM-IUCAKERBSA-N	320.271	1.140	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc2c(c1)C(C)(C)CO2	809971853	MKWWETCBLGBHLD-UHFFFAOYSA-N	313.357	1.770	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1c[nH]nc1-c1ccccc1	295562289	MWMKHEXVVSNJEV-ZDUSSCGKSA-N	314.345	1.407	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H](c2ccccc2)OC1=O)c1ccccc1	809545592	FVBZZQLECJOBEF-LSDHHAIUSA-N	324.336	1.752	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)c(O)c1C	802028328	SHNXZCWOAWDXMF-UHFFFAOYSA-N	300.318	1.292	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)nc1O	806365134	OMNIPRQGLIXCCB-IJLUTSLNSA-N	305.382	1.935	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)CCc2cccc([N+](=O)[O-])c2)O1	294344705	UFJWNETYYIKHAQ-GWCFXTLKSA-N	321.333	1.242	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)NCCN(C)C2CC2)c1	297380579	VRBYFEAATCCASJ-UHFFFAOYSA-N	305.382	1.365	50	20	DDGD	
CC[C@](C)(C#N)C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	803787384	WNUZSOWQIPYFPD-MRXNPFEDSA-N	317.345	1.239	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc2c(c1)CCCC2=O	295295479	DQFWMEPQKUPXAG-HNNXBMFYSA-N	316.357	1.536	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1ccccc1OCCF	297421995	OEQRTQXTMGGTMF-LBPRGKRZSA-N	311.313	1.367	50	20	DDGD	
Cc1nccc(CCC(=O)NNc2ccc3c(=O)[nH]ccc3c2)n1	816602239	OEJGQEQEZJDRQX-UHFFFAOYSA-N	323.356	1.702	50	20	DDGD	
CC(=NNC(=O)Nc1ccc2c(c1)OCO2)c1nccn1C	814992556	LSQFJKVFALNAFQ-UHFFFAOYSA-N	301.306	1.695	50	20	DDGD	
CC1(C)COc2ccc(C(=O)NNC(=O)Cc3cc[nH]n3)cc21	810355576	AQPZPGHLPJPTIT-UHFFFAOYSA-N	314.345	1.083	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(C(=O)OCC)cn1	815114309	OWIRJFDWQWJARP-UHFFFAOYSA-N	308.338	1.002	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H](CN)C1CCCC1	818001306	IGODKYYPSBQDSO-CYBMUJFWSA-N	312.845	1.986	50	20	DDGD	
CNC(=O)NNC(=O)c1c(C)ccc(Br)c1C	814620584	XBCOLQNAFDPPLZ-UHFFFAOYSA-N	300.156	1.640	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)c1cccc(N(C)C)c1	811632538	SNRWCCWBPRXYHN-CYBMUJFWSA-N	302.378	1.527	50	20	DDGD	
Cn1c(N)nc(Cl)c1C=NNC(=O)Cc1ccc(F)cc1	814757287	UWUUDHPSGNPFHY-UHFFFAOYSA-N	309.732	1.488	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Cc1cc2ccccc2o1	728850626	XDXRSBPHYHYIPX-UHFFFAOYSA-N	309.325	1.760	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1cnn(-c2ccccc2)c1	728784489	KEQMNWDOTFLESA-UHFFFAOYSA-N	305.341	1.960	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1ccc(F)cc1O	727778749	QMWMBERXNWYVAG-UHFFFAOYSA-N	319.292	1.395	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C)[C@H]1CCCc2ccccc21	827294938	XOPRRBYQPSSCAK-HNNXBMFYSA-N	303.406	1.799	50	20	DDGD	
COC(=O)N(C)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-]	496831310	VYCIYDUQLDBBBY-UHFFFAOYSA-N	319.676	1.659	50	20	DDGD	
CCOC(=O)NN=C(C)c1cccc(OCC(=O)N(C)C)c1	490786213	AGTCCDFTPGLPSI-UHFFFAOYSA-N	307.350	1.624	50	20	DDGD	
O=C(NN=Cc1c[nH]c2ccc(-c3nn[nH]n3)cc12)c1ccc[nH]1	823269757	OJGPGDNUFXBKCX-UHFFFAOYSA-N	320.316	1.440	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=O)c1cccc(C#N)c1	728977420	LXUMBEWNGTYZHT-FRRDWIJNSA-N	314.389	1.581	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CSc1ccccc1O	827548131	OBUKLLZFNMCWQV-PWSUYJOCSA-N	322.386	1.223	50	20	DDGD	
CO[C@@H](C)CNC(=O)NNC(=O)Cc1cccc2ccccc12	821470943	ZPHWKKMVXNLRBN-LBPRGKRZSA-N	315.373	1.748	50	20	DDGD	
N#Cc1ccc(N2CCC[C@H]2C(=O)NNC(=O)NC2CC2)cc1	728191264	WRLGVZKVNZHOSY-AWEZNQCLSA-N	313.361	1.020	50	20	DDGD	
O=C(/C=C/C1CCOCC1)NNc1ccc(-c2nn[nH]n2)cc1	826399830	HGNIQWPMKBLVJF-LZCJLJQNSA-N	314.349	1.293	50	20	DDGD	
COC(=O)N(C)NC(=O)CCCOc1ccc2c(c1)OCO2	495626914	RVQGJCLPKMWPDB-UHFFFAOYSA-N	310.306	1.304	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)NC2CCCCC2)C[C@@H]1Br	905103237	GBOCPJKNYGYSKU-CABZTGNLSA-N	318.215	1.823	50	20	DDGD	
Cc1nc(C)c([C@@H](C)NC(=O)c2ccc(B(O)O)c(F)c2)s1	584933504	IIUCNWYECVYTFB-MRVPVSSYSA-N	322.170	1.070	50	20	DDGD	
C[C@@H](Sc1ccccc1C(=O)NNC(=O)C1CCC1)C(=O)O	736719057	XLCJZLGWXHPFPL-SECBINFHSA-N	322.386	1.813	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@]1(C)CC=CCC1	496873931	IZWZESZEBATTOF-OAHLLOKOSA-N	311.382	1.405	50	20	DDGD	
C#C[C@@H](C)NC(=O)NNC(=O)CSc1ccccc1OC	820422026	CFJBGNMCMXNXPE-SNVBAGLBSA-N	307.375	1.139	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NO[C@@H](CO)C(C)C)cc(C#N)n1C	491044992	DKINZQFUEVAPJT-XNISGLLXSA-N	316.361	1.177	50	20	DDGD	
CC(C)(Oc1cccc(Cl)c1)C(=O)N1CC[C@@H](B(O)O)C1	585065749	JWZIXYCXTURUCH-SNVBAGLBSA-N	311.574	1.573	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H](COC)[C@H]2CCCO2)cc1	838573848	PNYIKHZPPHRJPO-HUUCEWRRSA-N	323.393	1.905	50	20	DDGD	
CC[C@@H](NC(=O)c1cc(B(O)O)ccc1F)c1csc(C)c1	585003099	HABUAGLPFZBSTP-CQSZACIVSA-N	321.182	1.757	50	20	DDGD	
O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@@H](B(O)O)C2)c1O	585077693	XMPDWVYWKDRCRJ-MRVPVSSYSA-N	300.507	1.003	50	20	DDGD	
O=C(CCCc1ccc(O)c(F)c1)NNC(=O)[C@@H]1CCCCO1	833241528	BLPNPBJEZIPNPO-AWEZNQCLSA-N	324.352	1.571	50	20	DDGD	
C[C@@H]1CCC[C@@]1(C)C(=O)NNc1ccc(-n2ccnc2)nn1	832489103	WFZVEAOTWINUNR-IAQYHMDHSA-N	300.366	1.932	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCCO2)c1ccc(F)nc1	733886429	CEVSLUVPPPIQHQ-UHFFFAOYSA-N	317.276	1.067	50	20	DDGD	
Cc1cccc2c1CCC[C@H]2NCc1ccc(B(O)O)cc1F	585050267	VQLUWEJUYGHYIV-GOSISDBHSA-N	313.181	1.981	50	20	DDGD	
CC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)N=c1cc[nH]cc1	836242829	PYIWEAZSOFVPFE-WCQYABFASA-N	305.382	1.808	50	20	DDGD	
O=C(NC[C@@H]1CCOC2(CCC2)C1)NNC(=O)c1ccccc1	836205959	XSVPHJWBINAVGE-CYBMUJFWSA-N	317.389	1.980	50	20	DDGD	
CCOCCN1CCN(C(=O)[C@]2(C)C[C@H]2Br)CC1	906641922	YTKQXISIOGAJFI-DGCLKSJQSA-N	319.243	1.341	50	20	DDGD	
O=C(CCCC(=O)c1ccccc1)NNC(=O)N1CCOCC1	900426793	LNHASWDRIVSCHE-UHFFFAOYSA-N	319.361	1.113	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@H](C(=O)O)C1)c1cccc(Cl)c1	833149302	MAZFVOSFGMYRTH-ONGXEEELSA-N	324.764	1.992	50	20	DDGD	
CCOCCNC(=S)NNC(=O)[C@H](CC)c1ccccc1	731941218	PXUDDXRSFDTXDS-CYBMUJFWSA-N	309.435	1.712	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCCCO2)c([N+](=O)[O-])cc1O	834988360	IZCJWEJNJACYNG-LBPRGKRZSA-N	323.305	1.328	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2cnn(C)c2C)c1	915269476	KDABIBAIRZZWDG-UHFFFAOYSA-N	303.391	1.668	50	20	DDGD	
Cc1c(C#N)cccc1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	831570713	JTEBVPWMOWYLES-JQWIXIFHSA-N	302.334	1.444	50	20	DDGD	
O=C(CN1CCC[C@H]1C1CC1)NNC(=O)c1ccc(F)cc1	839481069	NIUSRCMTPVUKGY-AWEZNQCLSA-N	305.353	1.461	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC[C@@H](C)SC)cc1F	838524799	ABTVCXAIBBNEMR-MRVPVSSYSA-N	315.370	1.990	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccc2c(c1)OCCO2)C1CCC1	837321600	KIMMLETVLNTUAL-JTQLQIEISA-N	304.346	1.655	50	20	DDGD	
N#Cc1ccc(C(=O)NN[C@@H](C(=O)O)c2ccccc2F)cc1	833072293	RDHHDFVNPCQMSG-CQSZACIVSA-N	313.288	1.758	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc(OC)c1	831057955	UICXZEPLUIXLIC-RNCFNFMXSA-N	323.349	1.282	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1sccc1Br	746733174	OWTVGZDQGHATIO-UHFFFAOYSA-N	320.212	1.997	50	20	DDGD	
CC(=NNC(=O)C(=O)NC(C)C)c1cccc(OC(F)F)c1	744818472	XNXHUVMMGSLYPP-UHFFFAOYSA-N	313.304	1.653	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c1O	919755749	ZHDHSHRDCNCMJD-NHCYSSNCSA-N	304.346	1.598	50	20	DDGD	
N#Cc1cccc(NNC(=O)CNC(=O)c2ccc(F)cc2)c1	749259730	FBJXRQKSBBVVEJ-UHFFFAOYSA-N	312.304	1.570	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1scnc1C(F)(F)F	843654449	IDTSYTOYMCHOFU-RITPCOANSA-N	323.296	1.348	50	20	DDGD	
CNC(=O)c1ccc(C=NNC(=O)CNc2ccccc2)cc1	912783465	CRDCVSRUKZBGGZ-UHFFFAOYSA-N	310.357	1.608	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1ccc(Br)nc1	746581708	GUEIPYOEMJYRBO-UHFFFAOYSA-N	309.123	1.247	50	20	DDGD	
CC1(C(=O)NNc2ccccc2S(N)(=O)=O)CCCCC1	842262426	UVMRPFBVVLRVJS-UHFFFAOYSA-N	311.407	1.748	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1	914831459	XZTXERWWPNCGLZ-LBPRGKRZSA-N	309.410	1.361	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=C1CCN(CCC(F)(F)F)CC1	842560161	FGEWFELYPHZNHI-PWSUYJOCSA-N	321.343	1.932	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C	910164396	YHXWHVRFYWFQIV-LLVKDONJSA-N	317.430	1.414	50	20	DDGD	
Cc1ccc(C=NNC(=O)CSc2nc(C)cc(C)n2)nn1	841602565	GTORYKKJTLUHAP-UHFFFAOYSA-N	316.390	1.434	50	20	DDGD	
CC(C)c1ncncc1C(=O)NNC(=O)c1ccc(Cl)nc1	918597075	GLAUZTUSIYBLBL-UHFFFAOYSA-N	319.752	1.723	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(OC(=O)N2CC=C(C#N)CC2)C1	914342915	FGLBXINXMQWWRQ-UHFFFAOYSA-N	307.350	1.898	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2SCCCS2)c(O)c1	842227947	ZQPCOEZCGGLHKW-UHFFFAOYSA-N	312.416	1.658	50	20	DDGD	
COc1ccc(NNC(=O)Nc2ccc3c(c2)CNCC3)nc1	841304167	NKJVTSSTBGGPJF-UHFFFAOYSA-N	313.361	1.885	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cnc2c(c1)C[C@@H](N)CC2	841321356	HGRVHTYVPQHWBS-NSHDSACASA-N	305.382	1.096	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)Cn2cncn2)C1	912579839	ISQMFLLOIAZZJA-LBPRGKRZSA-N	310.474	1.901	50	20	DDGD	
COC(=O)c1cc(NNC(=O)N[C@@H]2CCCNCC2)ccc1F	841979536	UOXGKOUGLNRXNR-SNVBAGLBSA-N	324.356	1.381	50	20	DDGD	
Cc1ccc(NC(=O)NN(C)C(=O)N2CCNCC2)cc1F	841006054	AAJVSWIDFUUIHL-UHFFFAOYSA-N	309.345	1.128	50	20	DDGD	
Cc1cccc(NNC(=O)c2nn(C)c(=O)c3ccccc23)c1	912634713	ZUWVTWPTTYLOMA-UHFFFAOYSA-N	308.341	1.999	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1(Cc2ccccc2F)CC1	843655383	JHTJGZWPGNBCTD-AAEUAGOBSA-N	320.364	1.721	50	20	DDGD	
Cc1ccc(C(=O)/C=C/C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	911503266	RCUXOFRYFWLJNX-IRORGTOCSA-N	316.357	1.306	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H]2CCCN(C)C2=O)cccc1[N+](=O)[O-]	748663537	BDAHBFGZKABUMG-LLVKDONJSA-N	321.337	1.150	50	20	DDGD	
Cc1ccccc1[C@@H]1C[C@H]1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	845379956	NEHODNYZRVFAML-CYUUQNCZSA-N	317.389	1.606	50	20	DDGD	
COCCCCC(=O)NNC(=O)COc1ccccc1OC	746854517	VTBFRODGOUXEHJ-UHFFFAOYSA-N	310.350	1.038	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cncc2ccccc12	747324717	JTHXIAHFPLWCEQ-UHFFFAOYSA-N	306.325	1.634	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1ccc(Cl)nc1	748779865	FLQXSUDAYZNJLI-NSHDSACASA-N	310.785	1.153	50	20	DDGD	
CC(=NNC(=O)Cc1ccncc1)c1ccc2c(c1)NC(=O)CO2	747642238	QBQHDFAGYWFVFN-UHFFFAOYSA-N	324.340	1.495	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)C1(Cc2ccccc2)CCOCC1	910149695	KWKIXPHHIYAQTF-AWEZNQCLSA-N	306.406	1.370	50	20	DDGD	
CC(=NNC(N)=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1	916247820	HASZFAVLBOHQLD-UHFFFAOYSA-N	324.406	1.254	50	20	DDGD	
O=C(Cc1nnc(O)c2ccccc12)NCC(Cl)Cl	848384642	UPOXAVGDCJPLOP-UHFFFAOYSA-N	300.145	1.798	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)CSc1ccccc1[N+](=O)[O-]	844128478	GOBKNFSVKJWHHS-VIFPVBQESA-N	311.363	1.880	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1c(F)cccc1Cl	843638488	CSDXSACOBBHNGB-BDAKNGLRSA-N	314.744	1.594	50	20	DDGD	
NC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ccc(Cl)cc1	841953689	RLBHRBSMSOZUII-YPMHNXCESA-N	324.812	1.802	50	20	DDGD	
NC[C@H]1CC[C@H](CNC(=O)NNC(=O)c2ccccc2)CC1	841996077	MAGHLICNNGELHC-JOCQHMNTSA-N	304.394	1.396	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC2(N)CCC2)c1F	841967121	MKBYMDIPMRSMKY-UHFFFAOYSA-N	310.329	1.120	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843980973	YYPMVSXSFNWJSU-GGZOMVNGSA-N	308.382	1.093	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1ccc2nc(O)[nH]c2c1	842553672	FXAKZBJAHQEXOP-GXSJLCMTSA-N	302.334	1.534	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@H]2CC2(C)C)c2ccccc21	840410732	PDEKEDXSUUNAJM-ZDUSSCGKSA-N	300.362	1.921	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)C1C(C)(C)C1(C)C	746576139	MVRHWQQDPKFKRL-SECBINFHSA-N	303.428	1.098	50	20	DDGD	
CC(C)[C@H]1C[C@H](C(=O)NNC(=S)NC(C)(C)C)CCO1	929430141	WNTSDYJDVRFXJK-GHMZBOCLSA-N	301.456	1.731	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@H]2CSC[C@@H]2C)cc1	845192516	GSLNXWVTOKPANP-GWCFXTLKSA-N	323.418	1.780	50	20	DDGD	
C[C@](CC(=O)NNC(=O)C1CC1)(C(=O)O)c1ccc(Cl)cc1	840721436	CIJNAAGHNWMICB-OAHLLOKOSA-N	324.764	1.630	50	20	DDGD	
O=C(NNc1cccc(Cl)c1Cl)[C@@H]1CCS(=O)(=O)N1	846254817	MIQDKKJBSFEXLS-QMMMGPOBSA-N	324.189	1.128	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CCc1ccccc1)C(=O)OC(C)(C)C	840303180	CDGQZYPKMTUDNP-LBPRGKRZSA-N	320.389	1.744	50	20	DDGD	
CC(C)N1C(=O)C(=NNC(=O)[C@@H]2CCO[C@@H]2C)c2ccccc21	842557384	VBZRBHLVGBIZRW-VXGBXAGGSA-N	315.373	1.687	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H](C=NNC(=O)c1cc[nH]n1)CC1CC1	853391498	OQZJBPGIIDFJSU-NSHDSACASA-N	321.381	1.819	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)CSc1ccncc1)C1CC1	855104672	SUMYJFRFJKSQIQ-VIFPVBQESA-N	310.448	1.468	50	20	DDGD	
CC(C)CO[C@@H](C)C(=O)NNc1nc(O)c2ccccc2n1	758310253	ABLZCFOHZREKMS-JTQLQIEISA-N	304.350	1.840	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCSC2(CCCCC2)C1	750840896	XXUACFMFLQJLEO-GFCCVEGCSA-N	313.467	1.684	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(C)cc1Br	854923506	YDMNOFCUUVNABJ-UHFFFAOYSA-N	316.224	1.838	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCc2cccnc21)c1cccc(F)n1	856426783	IJOFETNEENVXCZ-LLVKDONJSA-N	314.320	1.497	50	20	DDGD	
CCOC(=O)c1cc(NC(=O)NNC(=O)C2CCCC2)cn1C	757595488	VBLDBZGHCMSABD-UHFFFAOYSA-N	322.365	1.545	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)c1cccnc1	750945144	GTRPDFTXXNDQJU-UHFFFAOYSA-N	302.359	1.413	50	20	DDGD	
CC(C)n1nccc1C=NNC(=O)CCCNC(=O)C(C)(C)C	853408621	VZEFFRNPNJDJOD-UHFFFAOYSA-N	321.425	1.857	50	20	DDGD	
C=CCCn1cc(C=NNC(=O)CCN2CCCCCC2)nn1	853276357	BYLRKKHIERJSDU-UHFFFAOYSA-N	318.425	1.570	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1sccc1Br	854925246	BIMFKZXCNBKSLM-UHFFFAOYSA-N	308.226	1.592	50	20	DDGD	
Cc1c(Cl)c(C(=O)NNC(=S)NCC2CCC2)nn1C	855092845	RGLFODWDUVYTTO-UHFFFAOYSA-N	315.830	1.291	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)c2ccccn2)c(F)c1	751525789	WYWGLYIMJIZTFF-UHFFFAOYSA-N	302.309	1.362	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@H]1CCN1Cc1ccccc1	852701451	CCIOICHLMKXLKX-HNNXBMFYSA-N	318.421	1.637	50	20	DDGD	
Cc1cc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)c(C)n1C	754913967	MKJREOVBQXCNPF-UHFFFAOYSA-N	323.360	1.382	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@H]2COC[C@H]2C)cc1	926021661	ATHXHNUTXRKPIV-MFKMUULPSA-N	307.350	1.063	50	20	DDGD	
O=C(CCc1nc[nH]n1)NNC(=O)C12CC3CC(CC(C3)C1)C2	750016004	YHDNWKNLTKLIRO-UHFFFAOYSA-N	317.393	1.101	50	20	DDGD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NC[C@@]1(C)C[C@@H]1Br	857400693	JFHOWQFXYUGJQF-MRBYEJRBSA-N	320.227	1.860	50	20	DDGD	
CC(C)(C)c1nnc(CNC(=O)NNC(=O)c2ccc[nH]2)s1	758894754	PBZBPOVOSSWWHS-UHFFFAOYSA-N	322.394	1.308	50	20	DDGD	
Cc1nccn1CCCN(C)C(=O)NNC(=O)C1CCCC1	753355727	RWBRTOHYKNESST-UHFFFAOYSA-N	307.398	1.444	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCN2C(C)(C)C)c(O)c1	862992050	BCNNHVAICIEPQM-GFCCVEGCSA-N	305.378	1.334	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCc2cn[nH]c2)c1C	863931458	OESXVGOWMYZLEY-UHFFFAOYSA-N	302.334	1.581	50	20	DDGD	
CC(C)(C)S(=O)(=O)CC(=O)NNc1cnnc2ccccc12	768408286	VQROSIBKNBCEMJ-UHFFFAOYSA-N	322.390	1.286	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCOC(C)(C)[C@@H]1C	763610095	OVOZZSJHIKWHTB-NSHDSACASA-N	321.377	1.549	50	20	DDGD	
CC(=O)N1CCC[C@@H](C(=O)NNc2nc3ccccc3[nH]2)C1	768502463	ZNCIEMMTKIPRGB-LLVKDONJSA-N	301.350	1.265	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@H]1CCC(F)(F)C1	763709316	USJFCTFEUIDYML-QMMMGPOBSA-N	301.268	1.958	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNC(=O)[C@H](CC)c1ccccc1	932501104	UKWYBOVEIMMYMF-MGPQQGTHSA-N	318.373	1.527	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNC(=O)C2CCCC2)cc1	764066322	JRHOMFJCLPHXGK-UHFFFAOYSA-N	303.362	1.525	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc(-n2cncn2)cc1	863967468	JRCDRSRCIYXUES-UHFFFAOYSA-N	314.393	1.449	50	20	DDGD	
CCC(=O)N1CC[C@H](NS(=O)(=O)CC(C)(C)CCl)C1	866966208	YYADLIUWMKXBIR-JTQLQIEISA-N	310.847	1.182	50	20	DDGD	
Cc1nnc2n1C[C@@H](C(=O)NNc1nc3ccccc3[nH]1)CC2	768501804	KWOUUWZIQMYOGG-JTQLQIEISA-N	311.349	1.169	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2cnn(CCN(C)C)c2)c1	866880339	OIZRHRROXTXFLG-UHFFFAOYSA-N	321.356	1.349	50	20	DDGD	
CC(C)c1ccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1	860239525	NWQYQSFYJKNWLT-LBPRGKRZSA-N	304.350	1.241	50	20	DDGD	
O=C(CC(F)(F)C(F)(F)F)NNC(=O)NCc1ccco1	865016038	UADKDFILYYZRAB-UHFFFAOYSA-N	315.198	1.698	50	20	DDGD	
Cc1ccc([C@H](C)NCc2cccc(B(O)O)c2)cc1[N+](=O)[O-]	863888752	VSNYEVZIOVFKRA-LBPRGKRZSA-N	314.150	1.434	50	20	DDGD	
CCC[C@@H](CC1CCCC1)C(=O)NNC(=O)CS(C)(=O)=O	863463859	WXPAATOMERPZAY-LBPRGKRZSA-N	318.439	1.175	50	20	DDGD	
COCCCn1cc(C(=O)NNc2ccc(OC)cn2)cn1	861176328	GQSRTFIMVWWPBQ-UHFFFAOYSA-N	305.338	1.080	50	20	DDGD	
Cc1cc(C#N)cnc1C(=O)NNCC(F)(F)C(F)(F)F	863099015	HWVMBPAILNHRNC-UHFFFAOYSA-N	308.210	1.694	50	20	DDGD	
Cn1nc2c(c1C(=O)NNc1ncccc1[N+](=O)[O-])CCCC2	768229922	FUTPSFJCQFVOGI-UHFFFAOYSA-N	316.321	1.359	50	20	DDGD	
Cc1nc(-c2ccccc2)[nH]c1C(=O)NNC(=S)NC(C)C	1115900330	ZYBGCLSXWNYIES-UHFFFAOYSA-N	317.418	1.902	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCCNc1cnccn1	767323139	MCHLCXLLAPGYQO-JTQLQIEISA-N	315.215	1.814	50	20	DDGD	
O=C(Cc1csc2nccn12)NNc1nccnc1Cl	768066443	WIQABQLMLLDEFA-UHFFFAOYSA-N	308.754	1.525	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)CCCOC1CCOCC1	878716087	DHLXFBHOVSRCMY-UHFFFAOYSA-N	300.399	1.546	50	20	DDGD	
CC(C)N(C)CC(=O)NNC(=S)Nc1cccc(Cl)c1	873784449	DHPMDBMYDTZGRW-UHFFFAOYSA-N	314.842	1.998	50	20	DDGD	
COC(=O)c1ccccc1-c1ccc(C=NNC(=O)CO)o1	776781828	KIDDCFWVJHNCAG-UHFFFAOYSA-N	302.286	1.176	50	20	DDGD	
CN(NC(=O)c1c[nH]cc1-c1ccc2c(c1)OCCO2)C(N)=O	778418241	LNUSUIUCVIVRKC-UHFFFAOYSA-N	316.317	1.108	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1c[nH]cc1C1CC1	878390223	IJOYJWQWZDHACX-UHFFFAOYSA-N	313.357	1.904	50	20	DDGD	
CC[C@@H]1CC[C@H](C)N1CC(=O)NNC(=O)c1cccc(C#N)c1	772357994	VFBALXMBIUOGMU-SWLSCSKDSA-N	314.389	1.582	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)c1ccc(CC)cc1	772086109	AQXPFUVZJIROPS-NEPJUHHUSA-N	320.389	1.842	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(Br)ccn1	879376386	GWIQIDPSODDBJR-UHFFFAOYSA-N	303.160	1.459	50	20	DDGD	
Cc1cc(=NNC(=O)NCCCCCN2CCCC2)cc[nH]1	875621154	IYOKYVHXUCXRBD-UHFFFAOYSA-N	305.426	1.704	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1c[nH]c2cccc(C#N)c12	872355327	STNZDQJAGVUKQF-NSHDSACASA-N	314.345	1.541	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H](C)OCCC(C)C	770238980	FDMDPTDRDFMHTO-SNVBAGLBSA-N	307.485	1.296	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc(OC(F)F)cc1F	872363809	RQIGBRDOEMLGKG-UHFFFAOYSA-N	319.239	1.233	50	20	DDGD	
C[C@H](COc1ccccc1F)NC(=O)NNC(=O)c1ccc[nH]1	1115887830	UEZYGDTVVUQVKH-SNVBAGLBSA-N	320.324	1.565	50	20	DDGD	
O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNc1ccccn1	777472867	FUNGQWBUQINFIU-RYUDHWBXSA-N	316.361	1.090	50	20	DDGD	
COCCOCC(=O)NN=Cc1c(C)nc2scc(C)n12	872403038	GSEZCKWUDGWUOG-UHFFFAOYSA-N	310.379	1.126	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)c1cc(-c2ccccc2)on1)C(C)C	771093744	GZEKKNZVDZZUNV-AWEZNQCLSA-N	317.345	1.774	50	20	DDGD	
CC(C)c1nccn1CC(=O)NNC(=O)CCc1ccccc1	874264235	GTTFFBOIYPQQFW-UHFFFAOYSA-N	314.389	1.787	50	20	DDGD	
COCCOC[C@@H](C)NC(=O)NNc1cc(Cl)ccn1	778697165	MREZITODCVNFSK-SECBINFHSA-N	302.762	1.413	50	20	DDGD	
CC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)o1	773686479	JGCRYXYVNWFWFN-JTQLQIEISA-N	324.333	1.221	50	20	DDGD	
O=C(NC[C@H]1Cc2ccccc21)NNC(=O)C1CCOCC1	883181285	XLNBXGAFYROYEG-CYBMUJFWSA-N	303.362	1.083	50	20	DDGD	
C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)NNc1ccccn1	777472566	NTLSZNYAMWPPHM-SNVBAGLBSA-N	324.344	1.220	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1ccc(F)c(F)c1F	779820796	XSUAWLBUNXGXDB-UHFFFAOYSA-N	303.284	1.853	50	20	DDGD	
O=C(CO)NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1	776780059	CHHFKYNOEVUDRD-UHFFFAOYSA-N	320.352	1.982	50	20	DDGD	
Cc1ccncc1[C@H](C)NC(=O)NNC(=O)Cc1cccnc1	771440512	OCQUXGFOHXUPHA-LBPRGKRZSA-N	313.361	1.419	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1cnn(-c2ccccc2)c1C	785460024	HAZGQGFFLFJWAY-UHFFFAOYSA-N	300.362	1.792	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@@H]1CSc2ccccc21	883426002	GVKFQJNKGQDZBI-GFCCVEGCSA-N	321.402	1.590	50	20	DDGD	
C=C(CBr)n1cc(CCCN2CCOCC2)nn1	881317131	OYUJZWGAIGSYCM-UHFFFAOYSA-N	315.215	1.409	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccccc1OCCOC	785846962	ZXTKWKWWTVDYCY-UHFFFAOYSA-N	310.354	1.410	50	20	DDGD	
CCOC(=O)CC1CCN(S(=O)(=O)CCCCl)CC1	881779258	HAPALDRNPCVMNK-UHFFFAOYSA-N	311.831	1.610	50	20	DDGD	
O=C(NCCC[C@H]1CCCCO1)NNC(=O)C1CCOCC1	883570616	IWSNDHNVMDWCSW-CYBMUJFWSA-N	313.398	1.093	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cnc2c(cnn2C(C)C)c1	785836945	IVPAPMOZYFQFMI-UHFFFAOYSA-N	319.369	1.710	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](O)Cc2ccccc2Cl)nc1	781526290	FCVDGXPOZVENHU-ZDUSSCGKSA-N	321.764	1.790	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H]1CCCCS1	783033590	LOSNQSUOBKDYEO-LLVKDONJSA-N	318.402	1.689	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1ccc(N2CCCC2=O)cc1	785458330	WLALOOPQFCQTCI-UHFFFAOYSA-N	303.362	1.425	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H](C)O	789940431	YITQXSMWCHCRNO-ZJWDHLRQSA-N	308.422	1.757	50	20	DDGD	
CCn1nc(C2CC2)cc1C(=O)NNc1ccc(Cl)nn1	895108236	RCBOAGHOHFMSLY-UHFFFAOYSA-N	306.757	1.981	50	20	DDGD	
CC(CCCCN(C)C)=NNC(=O)CNC(=O)c1cccnc1	781124677	BQGADLQFLSHNRF-UHFFFAOYSA-N	319.409	1.035	50	20	DDGD	
CC(C)(C)N1C[C@H](C(=O)NNc2ncncc2Cl)CC1=O	781820620	VVUXUWCJVKHHKY-MRVPVSSYSA-N	311.773	1.220	50	20	DDGD	
Cc1cc(C(=O)NN=C2CC[C@H](C)C[C@@H]2n2cncn2)n[nH]1	794523402	BKZQTWIFQLSURV-ZANVPECISA-N	301.354	1.457	50	20	DDGD	
COCC(=O)NN=C[C@H](CNC(=O)OC(C)(C)C)C(C)C	794521371	XOMTYPMQTQLJOT-NSHDSACASA-N	301.387	1.532	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2ncccc2C)[C@]12CCCO2	791038603	MOTJGMPUWLPPPM-WOSRLPQWSA-N	320.393	1.743	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C[C@@H]2CCCOC2)c1	792812716	JEJNWMVONSDMCU-NSHDSACASA-N	322.361	1.282	50	20	DDGD	
C[C@H](CS(C)(=O)=O)N(C)C[C@@H](CBr)C1CC1	701846745	WTPFLZFQHOKDTQ-MWLCHTKSSA-N	312.273	1.772	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@H]1CCC[C@H](OC)C1	796057418	UAJNYFOIVOCZIN-SRVKXCTJSA-N	314.382	1.071	50	20	DDGD	
C=C[C@@H](NNC(=O)c1c(Cl)cccc1Cl)C(=O)OC	799977646	IFCFBTJYLSOAKV-SECBINFHSA-N	303.145	1.955	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)NCC(F)(F)F)[C@@H](n2cncn2)C1	794493763	FTHDWLGWZQXFDV-SCZZXKLOSA-N	318.303	1.857	50	20	DDGD	
O=C(Cc1cccnc1Br)NNC(=O)C1CCC1	791360451	RTZFEKBXRFAPMD-UHFFFAOYSA-N	312.167	1.334	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=C2CC(=O)N3CCCC[C@@H]23)c1	799470984	XTXOEIJVPNXCHD-HNNXBMFYSA-N	314.389	1.623	50	20	DDGD	
CC(C)=CCCNC(=O)NNC(=O)[C@H]1COc2ccccc2O1	790521397	VCJAWLKNXVEJTQ-CQSZACIVSA-N	319.361	1.513	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CCCNC(=O)C1CC1	798309638	AOAPEAXKNDYHDD-UHFFFAOYSA-N	318.377	1.454	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=S)NCC2CCC2)cc1	1318212720	GCVCZQNBKZSYPO-UHFFFAOYSA-N	322.434	1.403	50	20	DDGD	
COC(=O)C(=O)NNC(=O)NCC[C@@H]1C[C@H](C)CC(C)(C)C1	1324758972	NZDHTEHQPZVYIX-WDEREUQCSA-N	313.398	1.342	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1sc(N(C)C)nc1Cl	1324401749	WSDLKYKDROQIDZ-UHFFFAOYSA-N	321.859	1.380	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2CCS[C@H]2C)cc1	1326312848	IBMYHZORNDMPRD-CABZTGNLSA-N	309.391	1.533	50	20	DDGD	
C[C@@H]1CCC[C@@H]1NC(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1328519651	VMNZTLFIJRRFEG-COMAGPEQSA-N	317.227	1.581	50	20	DDGD	
CCc1nc(NC(=O)NNC(=O)C2CCNCC2)sc1C	1325272858	OAQFHDCHEMQCAW-UHFFFAOYSA-N	311.411	1.166	50	20	DDGD	
C[C@H](OC1CCCCC1)C(=O)NNc1ccnc(N(C)C)n1	1322014171	XTBSQGFVVYHZPQ-NSHDSACASA-N	307.398	1.724	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccn(-c2ccncc2)n1	1326467129	VSWGGBFKBPAYGX-UHFFFAOYSA-N	319.328	1.901	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1c[nH]cc(Cl)c1=O	1255633676	UHHXWFWPAYBKDQ-UHFFFAOYSA-N	305.721	1.412	50	20	DDGD	
O=C(NN=Cc1nncn1Cc1ccccc1)C1CCOCC1	1330902099	DWKXNANUCWOWND-UHFFFAOYSA-N	313.361	1.203	50	20	DDGD	
Cn1cc(Cl)c(C(=O)NNC(=O)CCCc2ccccc2)n1	1331573409	UOPAZAUMWPQSIQ-UHFFFAOYSA-N	320.780	1.857	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)sc1C	1255949898	DDTYMTLTUCBKPZ-UHFFFAOYSA-N	319.390	1.437	50	20	DDGD	
CS[C@@H]1CC[C@H](N(C)[C@@H](C)C(=O)NNC(=O)CC(C)C)C1	1334389085	QOBUDRNCMLZENJ-RWMBFGLXSA-N	315.483	1.784	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cccc(Br)c1OC	1263822198	LPAZVDLZPULPDE-UHFFFAOYSA-N	317.139	1.801	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1cc2cc[nH]c2cn1	1346445459	UPERTPXPCNGOLW-NSHDSACASA-N	303.322	1.285	50	20	DDGD	
Cc1cccc(NC(=O)CN2CCN(C(=O)CCl)CC2)c1C	1341509294	ASRDMURHVCTHPH-UHFFFAOYSA-N	323.824	1.625	50	20	DDGD	
Cn1nc(CNC(=O)NNc2ncccc2F)cc1C1CC1	1344575671	FIZVGIOCAZFUAL-UHFFFAOYSA-N	304.329	1.658	50	20	DDGD	
CC1(C)C[C@](C)(NC(=O)NNC(=O)c2ccccc2F)C(=O)O1	1352149811	OYKZWGHIUWAAFF-HNNXBMFYSA-N	323.324	1.254	50	20	DDGD	
Cc1ccc(NNC(=O)NCC(C)(C)C2=CCOCC2)nn1	1514947482	VZIAGAVIGPZJRR-UHFFFAOYSA-N	305.382	1.784	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@@H](C)[C@@H]1CN(C)CCN1C	1528131520	YDKKEWUAGSSDOX-JSGCOSHPSA-N	323.416	1.395	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1sccc1-c1nn[nH]n1	1609079349	OFZDSONLVAERTC-UHFFFAOYSA-N	310.339	1.098	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CC[C@H](C(=O)O)CC2)c1	1606617941	IXBCVHJQEJPHDY-XYPYZODXSA-N	320.345	1.807	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)[C@H]1CCC[C@@H](C(=O)O)C1	1608621911	DKZDBPAKPLUHIK-VHSXEESVSA-N	302.334	1.897	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC[C@H](C(=O)O)CC1)c1ccccc1O	1601555684	FNGHROPFYBLMJL-MGCOHNPYSA-N	306.318	1.044	50	20	DDGD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NNc1ccc(F)c(C(=O)O)c1	1604620111	JVYRREIQBIUFBZ-BDAKNGLRSA-N	308.309	1.972	50	20	DDGD	
O=C(C[C@@H](O)Cc1ccccc1)NNc1ccccc1C(=O)O	1601242226	GJNHYEVIEPFDFO-ZDUSSCGKSA-N	314.341	1.822	50	20	DDGD	
O=C(O)c1cc(Cl)cc(Cl)c1N1CC[C@H](B(O)O)C1	1602265860	XVPKYZAQYWZXJS-LURJTMIESA-N	303.938	1.745	50	20	DDGD	
CO[C@](C)(C(=O)O)C(=O)NNc1ccnc(C(F)(F)F)c1	1604464164	LFSNTUFPTMUMOQ-JTQLQIEISA-N	307.228	1.033	50	20	DDGD	
Cc1cc(NNC(=O)Nc2ccccc2C(=O)O)nc(N)n1	1605213568	VAASNSSTDYVMDC-UHFFFAOYSA-N	302.294	1.214	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)NCCC2(O)CCC2)cc1	1602127931	GDXNSWKYTLDSPB-UHFFFAOYSA-N	307.350	1.245	50	20	DDGD	
O=C(O)[C@@H]1CCN(S(=O)(=O)c2ccc(CCl)cc2)C1	1606023172	XIXQTSQNOYAODF-SNVBAGLBSA-N	303.767	1.521	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCC2(C(=O)O)CCCC2)cn1	1610601323	KOYKHRGRFHDOTP-SDQBBNPISA-N	302.334	1.088	50	20	DDGD	
O=C(NNc1ncccn1)Nc1ccc2[nH]nc(C(=O)O)c2c1	1610699656	GUQQDVOZHTZMKB-UHFFFAOYSA-N	313.277	1.200	50	20	DDGD	
COCc1nc(Cl)cc(NNC(=O)CCCCC(=O)O)n1	1610272994	UUFFRCLHMDUEJK-UHFFFAOYSA-N	316.745	1.365	50	20	DDGD	
O=C(O)c1cncc(C(=O)NNc2ncnc3ccsc23)c1	1610862492	YUZXTBBGWMUOKC-UHFFFAOYSA-N	315.314	1.541	50	20	DDGD	
CC1=C(C)C[C@@](C)(C(=O)NNC(=O)NC2CCNCC2)CC1	1576557543	ZHKLGORFWXKQLU-INIZCTEOSA-N	308.426	1.595	50	20	DDGD	
C[C@]1(CNC(=O)/C(C#N)=C\c2ccc(F)cc2)CNCCO1	1576507746	FLBNSHXLXGNPAY-LPDYGMJQSA-N	303.337	1.227	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@]2(C)CCCNC2)cc1	1578820831	KRAKGWVGZUEDGC-MRXNPFEDSA-N	305.378	1.235	50	20	DDGD	
CC(C)(Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@H]1CCN1	1575390489	WHTDTRYTLGKMGJ-LLVKDONJSA-N	311.769	1.007	50	20	DDGD	
Nc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(B(O)O)c1	1580443106	RCARNAOQVVEADZ-UHFFFAOYSA-N	324.067	1.220	50	20	DDGD	
CC(=NNC(=O)c1cc(C)[nH]n1)c1ccc(C(=O)O)cc1C	1589012510	PMZOGGFCXLVNEV-UHFFFAOYSA-N	300.318	1.879	50	20	DDGD	
N[C@H]1CC[C@H](C(=O)NNC(=O)NCc2ccc(Cl)cc2)CC1	1580415489	PDQPSIKTLPGVSX-AULYBMBSSA-N	324.812	1.688	50	20	DDGD	
COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)CC1CC1)C2	1846361466	VYQXGKQXTAHASH-GFCCVEGCSA-N	314.813	1.244	50	20	DDGD	
CC[C@H](OC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C)C(=O)O	1595332272	SUPWVQREMCLFIQ-KKNAONHISA-N	301.302	1.519	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)CCc1nccs1	1599377431	YUXUSCUVWQJALC-UHFFFAOYSA-N	321.358	1.926	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNc1ccc(C(=O)O)cc1F	1596683270	HCHBFYNJEUGYGP-RKDXNWHRSA-N	310.281	1.166	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)c1cc(-c2nn[nH]n2)ccn1	1592173597	VNNHCCYYBQPVBA-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
COc1cc(NNC(=O)c2cc(C(=O)O)on2)ccc1Cl	1599444805	ANRIRSHEFSMRLP-UHFFFAOYSA-N	311.681	1.792	50	20	DDGD	
O=C(O)c1cc(C(=O)NNc2cc(C(F)(F)F)ccn2)[nH]n1	1594779656	AURQDGOEFWULIH-UHFFFAOYSA-N	315.211	1.279	50	20	DDGD	
C[C@@]1(C(=O)NCc2ccnc(C(=O)O)c2)C[C@H]1Br	1593756382	ORQKQLKSNSTFBD-BXKDBHETSA-N	313.151	1.570	50	20	DDGD	
CCc1cc(C(=O)O)c(C=NNC(=O)c2ccc(O)nc2)s1	1776094384	QDHKZMLMDUFUPY-UHFFFAOYSA-N	319.342	1.873	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C/c1ccc(C(=O)O)cc1[N+](=O)[O-]	1776117671	FFKWMSYLUPTSTE-XCVCLJGOSA-N	309.241	1.460	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=Cc1cccc(O[C@H](C)C(=O)O)c1	1776102809	ZIDAIRJLLYMXSP-DDTOSNHZSA-N	320.345	1.414	50	20	DDGD	
CCc1cc(C(=O)O)c(C=NNC(=O)c2cccnn2)s1	1776103544	ONNLPYYZTQQXBN-UHFFFAOYSA-N	304.331	1.563	50	20	DDGD	
CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cl)CC)C2	1795149660	NNVLDXZVSDXKDV-GFQSEFKGSA-N	316.829	1.394	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc([N+](=O)[O-])c(O)c2)n1	14514370	WXPMMJTVBRXDJE-UHFFFAOYSA-N	303.278	1.464	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	15590532	OTWSGZHMKVNVHP-UHFFFAOYSA-N	308.294	1.560	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@H]2CCCCO2)cc1	161318465	FLCOQRVJNGZEFW-CYBMUJFWSA-N	308.403	1.804	50	20	DDGD	
CC(C)NC(=O)/C(C#N)=C\c1ccc(OCCC(=O)O)cc1	206736463	BDZKJSMNZUUFJU-LCYFTJDESA-N	302.330	1.972	50	20	DDGD	
Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NNc1ccccc1	151268890	OIHPMEKIZANKAJ-INIZCTEOSA-N	322.372	1.909	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2nc(C(C)C)ncc2Cl)[nH]n1	151224633	KXWFGBOQLUUVCC-UHFFFAOYSA-N	322.756	1.360	50	20	DDGD	
C[C@H](Sc1ccccn1)C(=O)NNC(=O)c1cccnc1	152035784	WYMYXXFSJHQGNH-JTQLQIEISA-N	302.359	1.418	50	20	DDGD	
N#Cc1ccc(NNC(=O)CN2C(=O)c3ccccc3C2=O)cc1	155106303	BDOCTCFYOLKMSJ-UHFFFAOYSA-N	320.308	1.298	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@@H]1CCn2cncc2C1	154143267	MIOCFUHLDHSGDT-SNVBAGLBSA-N	301.306	1.497	50	20	DDGD	
O=C(CNC(=O)OCC(F)(F)F)NNc1cccc(F)c1	154991726	HCDWTNJVOJOUPD-UHFFFAOYSA-N	309.219	1.557	50	20	DDGD	
COc1ccc(NNC(=O)CSCc2ccccn2)nc1	159080196	PIEOWUWKUNHAPE-UHFFFAOYSA-N	304.375	1.862	50	20	DDGD	
O=C(CNS(=O)(=O)c1ccc(CCCl)cc1)NC1CC1	36900394	KYPUEUOFPCWDNF-UHFFFAOYSA-N	316.810	1.025	50	20	DDGD	
Cc1cccc(C(=O)NNC(=S)NCCc2ccccn2)n1	102503101	KMIIHJPNLPNOAL-UHFFFAOYSA-N	315.402	1.137	50	20	DDGD	
Cc1nc(S)sc1CC(=O)NNC(=O)c1ccccc1O	53599291	XIAVYZWIUHWVKT-UHFFFAOYSA-N	323.399	1.450	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCN(C2CCCC2)CC1	109829003	NROFIZXQMVMQNT-AWEZNQCLSA-N	324.469	1.129	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc2c(c1)CCC(=O)N2	179716493	UCMLUEFDOBZPGG-UHFFFAOYSA-N	304.350	1.770	50	20	DDGD	
COC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)CC2CCCC2)C1	175212360	BQMTWDSXNMWFES-STQMWFEESA-N	310.394	1.694	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccc[nH]2)c(=O)oc2ccccc12	177108443	HRUGDJRZFBYLKY-UHFFFAOYSA-N	311.297	1.504	50	20	DDGD	
O=C(NNC(=O)c1cnc(-c2ccco2)s1)c1cccnc1	171520300	ZLURBFIPWAXEDP-UHFFFAOYSA-N	314.326	1.873	50	20	DDGD	
O=C(NNc1cccnn1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2	179265614	OBBSINJKBOSZNE-UHTWSYAYSA-N	303.366	1.450	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cc(N)nc(Cl)c2)cc1	171208003	CABZPFGCPPYXCZ-UHFFFAOYSA-N	315.720	1.264	50	20	DDGD	
COc1cc(C)ccc1NC(=O)C(=O)NNc1cccc(C#N)c1	119431631	KTJVVNKYEDUUOP-UHFFFAOYSA-N	324.340	1.957	50	20	DDGD	
Cc1csc(=O)n1CCC(=O)NNc1ccc(Cl)nn1	118502595	JCHZKMUVRWVANW-UHFFFAOYSA-N	313.770	1.195	50	20	DDGD	
Cc1cc2ccccc2n1CC(=O)NNC(=O)NCC1CC1	65193093	KITHSPWZRMZGKZ-UHFFFAOYSA-N	300.362	1.690	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1cn(C)c2ccccc12	65897781	ZHWMYALRAYAKGS-UHFFFAOYSA-N	302.378	1.851	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1c(C)cc(C)cc1C	120004801	IODFAVBDVDUERL-UHFFFAOYSA-N	319.405	1.678	50	20	DDGD	
CS(=O)(=O)c1ccc(NC(=O)NNc2ccc(F)cc2)cn1	65772504	JBRXUPWXERGXAR-UHFFFAOYSA-N	324.337	1.773	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccn2C)cc([N+](=O)[O-])c1	122404530	LDVSEXGPOFUQGR-UHFFFAOYSA-N	302.290	1.317	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1cccc(C#N)c1	126072221	BLBZNIDNPKXBGC-UHFFFAOYSA-N	302.334	1.080	50	20	DDGD	
O=C(Cn1cnnn1)NNc1c(Cl)cc(F)cc1Cl	124250320	MUEYQRGBDVLLTM-UHFFFAOYSA-N	305.100	1.262	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@H](O)c1ccccc1	122491946	PTMMJTACUBFIMG-LLVKDONJSA-N	300.343	1.868	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)Nc2cccc(C)c2F)n1	185511872	XAEPJHVYGMKKPK-UHFFFAOYSA-N	317.324	1.623	50	20	DDGD	
COCCCN(CCO)C(=O)/C(C#N)=C\c1ccc(F)cc1	189042895	DDBVIIRQGHFATH-KAMYIIQDSA-N	306.337	1.590	50	20	DDGD	
Cn1cc(CC(=O)NNc2nnc(-c3ccccn3)s2)cn1	188196687	DSHGJUNUVYKNLX-UHFFFAOYSA-N	315.362	1.019	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2cc(C)oc2C)c1	73315421	XLMXBHUIRIBXMU-UHFFFAOYSA-N	317.345	1.778	50	20	DDGD	
Cn1ccc(NC(=O)NNC(=O)Cn2ccc3ccccc32)n1	184700063	BOBYJANJHPHDBA-UHFFFAOYSA-N	312.333	1.228	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1ccoc1C	71822129	MUTUALOUVCJZLD-UHFFFAOYSA-N	303.318	1.470	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCCC[C@H]1CCCCO1	186589820	COCLDWHCODAMPU-CQSZACIVSA-N	320.393	1.304	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccc(F)cc1C(F)(F)F	123420597	JHAUNHTWNZUMGO-UHFFFAOYSA-N	309.219	1.380	50	20	DDGD	
CN1C(=O)CCc2cc(C(=O)NNC(=O)c3ccncc3)ccc21	121371711	QQGSCCIQTSZJOS-UHFFFAOYSA-N	324.340	1.065	50	20	DDGD	
C[C@@H]1Cc2ccccc2CN1CC(=O)NNC(=O)c1ccccc1	182351002	VOLRKKPGEVTJBW-CQSZACIVSA-N	323.396	1.894	50	20	DDGD	
O=C(NCCc1cccc(Cl)c1)NNC(=O)[C@@H]1CCCO1	127141524	AGWXHQYEBMHDHC-LBPRGKRZSA-N	311.769	1.392	50	20	DDGD	
CS[C@@H](CO)[C@H](C)NC(=O)/C(C#N)=C\c1ccc(F)cc1	183614437	FSHPXXLHXMSTLJ-PEHPHXHYSA-N	308.378	1.961	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NNC(=O)c1cc(C)n[nH]1	184922120	IMQIJOYTORLNKR-DGCLKSJQSA-N	308.382	1.465	50	20	DDGD	
CCCC(=O)N1CCC[C@@H]1C(=O)NNc1cccc(OC)n1	183031556	GBVBXKJAVACCRA-LLVKDONJSA-N	306.366	1.324	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NCCC2=CCCCC2)n1	42837652	UZGIJRYUTIVKFK-UHFFFAOYSA-N	319.409	1.721	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1oc2c(F)cccc2c1C	139646072	BGOREJUMZRDYJX-UHFFFAOYSA-N	323.324	1.861	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)N2CCc3cccc(C)c32)ncn1	190128901	AUYCJTCVLSROQS-UHFFFAOYSA-N	311.345	1.126	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)C[C@@H]2CCCCO2)c1	87003972	NKEGTRPTZZAGQP-AWEZNQCLSA-N	305.378	1.473	50	20	DDGD	
CCCCCC[C@@H](C)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	43000528	KFPKDWIUEBBRJK-OCCSQVGLSA-N	319.471	1.726	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2cccc3c2CCC3)n1	134042913	UAPQLZJJOSPCPC-UHFFFAOYSA-N	303.753	1.958	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cccc2c1CCC2	193854583	QASZVDDQRNSQRH-UHFFFAOYSA-N	301.268	1.682	50	20	DDGD	
O=C1CCc2cc(C(=O)NNc3nc4ccccn4n3)ccc2N1	191926285	QWXZXKSYDRBJNW-UHFFFAOYSA-N	322.328	1.371	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1ccc(C)s1	148966414	IQHPGSMJWQGDHX-NSHDSACASA-N	323.418	1.609	50	20	DDGD	
O=C(NNC(=O)c1cccc2ncccc12)Nc1cnns1	192324942	CJTWWZFDPGBMNU-UHFFFAOYSA-N	314.330	1.553	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CNc2ccccc2)cnn1C(C)C	92716203	YYGNLORLRHMSHQ-UHFFFAOYSA-N	315.377	1.646	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)COc1ccccc1O	264544665	BJSAJXHHPQRLBL-NEPJUHHUSA-N	321.377	1.680	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cccc(Cl)c1)[C@H]1CCOC1	266546060	KWSMIKUVSGRXDX-ONGXEEELSA-N	311.769	1.709	50	20	DDGD	
Cc1nc2c(cc1C(=O)NNC(=O)CC(C)(C)C)c(C)nn2C	264019233	IPIKRLXLZGVDSB-UHFFFAOYSA-N	317.393	1.782	50	20	DDGD	
O=C1CSc2ccc(C(=O)NNC(=O)C3CCC3)cc2N1	264811074	VTSWFQKZWGMPHW-UHFFFAOYSA-N	305.359	1.292	50	20	DDGD	
COc1ccccc1C(C)(C)C(=O)NNc1nccn(C)c1=O	269325323	MVYCPCBINAYADN-UHFFFAOYSA-N	316.361	1.210	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccccc1SCCC(N)=O	264600848	JESFNWZZIQDDJB-UHFFFAOYSA-N	312.351	1.047	50	20	DDGD	
CCO[C@H]1C[C@H](NC(=O)NNc2nccc(OC)n2)C12CCC2	369842163	KLYPLEQQMNSFAZ-QWRGUYRKSA-N	321.381	1.459	50	20	DDGD	
O=S(=O)(CBr)NCCc1cn2c(n1)CCCC2	363708354	DEVLJBOKLCJAOI-UHFFFAOYSA-N	322.228	1.034	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C[C@H]2CSCCS2)n1	269764259	LCGCGMFAFDLFPB-VIFPVBQESA-N	314.436	1.475	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cccc(Cl)c1	276631050	WBEUVSMXQZAJTC-UHFFFAOYSA-N	314.769	1.890	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C[C@@](C)(O)C2CC2)cc1	270443336	OIZMVDSNPUZIGD-MRXNPFEDSA-N	305.378	1.105	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc2c1oc(=O)n2C	273448036	ODJJPKVRWAGURM-MRVPVSSYSA-N	306.322	1.330	50	20	DDGD	
O=C(NNC(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1)C1CC1	275151822	YARWQPJWRXRRMW-LLVKDONJSA-N	316.279	1.166	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@@H]2COC3(CCCC3)O2)nc1	276036193	WXGOUMCNDGENPT-GFCCVEGCSA-N	322.365	1.402	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(F)c(C)c1	272544778	HKDIRNKFWFOZRI-JTQLQIEISA-N	313.329	1.338	50	20	DDGD	
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NNc1cc(Cl)ccn1	272325317	MJFZPVVFSHIPFC-SKDRFNHKSA-N	309.801	1.844	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cccc2ncccc12)C(=O)OC	277294162	RDWUPNJALIRGOS-SNVBAGLBSA-N	315.329	1.195	50	20	DDGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CC[C@H](CC(N)=O)C1	377580663	CRLFNZYXUCRMQI-LHDJSAJTSA-N	300.318	1.657	50	20	DDGD	
O=S(=O)(CBr)N[C@@H]1CCOC2(CCCC2)C1	373308679	BIVRYNVBKBOSQG-SECBINFHSA-N	312.229	1.750	50	20	DDGD	
CCOc1ccc(C(=O)CCC(=O)NN(C)CCOC)cc1	288550295	YRAPXLSTNNSYCC-UHFFFAOYSA-N	308.378	1.658	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(OC(F)F)c(OC)c1	288641401	XLTACOMXTZNMAH-UHFFFAOYSA-N	304.293	1.520	50	20	DDGD	
CC(C)C(=O)N1CCCC[C@@H]1C(=O)NNc1ncccc1F	285816281	BJVQXRPNAQNBOB-GFCCVEGCSA-N	308.357	1.701	50	20	DDGD	
CCC(=O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)OC)c1	280013494	UEJVZJPDTPCWDG-UHFFFAOYSA-N	320.754	1.482	50	20	DDGD	
C[C@@H](C[S@](C)=O)N(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	280072969	CBRVYXUCXAMGCY-AWBGSQKFSA-N	306.387	1.525	50	20	DDGD	
COc1cc(CC(=O)NNc2ncccc2C)cc(OC)c1O	280027144	DZJWPGDEDXWGFE-UHFFFAOYSA-N	317.345	1.799	50	20	DDGD	
CCCC[C@@H](NC(N)=O)C(=O)NNc1cccc(NC(C)=O)c1	294006043	ULRSFFUOHQNVJY-CYBMUJFWSA-N	321.381	1.315	50	20	DDGD	
CO[C@@H](C)c1nsc(NC(=O)NNc2cccc(F)n2)n1	809924255	JULGMRAJVWDBEN-LURJTMIESA-N	312.330	1.928	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1scnc1C1CCCC1	294072156	QKAQQIKSRBHSEX-JTQLQIEISA-N	309.391	1.741	50	20	DDGD	
COCCc1ccccc1NC(=O)NNC(=O)[C@@H]1CCCO1	297702133	HMMBBRXNSMZJJY-ZDUSSCGKSA-N	307.350	1.207	50	20	DDGD	
Cn1cnc2c(C(=O)NNC(=O)c3ccccc3F)ccnc21	805152930	RUONVCAPCBIHFL-UHFFFAOYSA-N	313.292	1.182	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc(C3CCCCC3)n[nH]2)O1	294299630	QTKHUPOWXKNUFQ-HZMBPMFUSA-N	320.393	1.786	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)[C@H]1CCCc2ccccc21	295622150	RRUCYIGWXWXOPC-LSDHHAIUSA-N	302.374	1.823	50	20	DDGD	
COCCCn1nccc1C=NNC(=O)NCc1ccco1	802709250	AJCOOZBRMJOPGT-UHFFFAOYSA-N	305.338	1.346	50	20	DDGD	
C[C@H](NC(=O)NNc1ccncn1)[C@@H]1OCCc2sccc21	296889554	BGIHYQRDXPPRTI-ZANVPECISA-N	319.390	1.867	50	20	DDGD	
NC(=O)c1ccccc1NCC(=O)NNc1ccccc1F	809730583	UAGFNWPNPYBYBX-UHFFFAOYSA-N	302.309	1.480	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc2c(C)nn(C)c2c1	291628093	CCAFOASFESHGAO-UHFFFAOYSA-N	304.354	1.580	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@@H]1CCCN1C	299508273	JDTYUBTVFIYUBS-NSHDSACASA-N	311.769	1.204	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1ccc2nnc(S)n2c1	804767074	WEFLLGVVZDLGIL-UHFFFAOYSA-N	304.310	1.309	50	20	DDGD	
O=C(NNC(=O)C1CCN(CC(F)F)CC1)C1CCCC1	806443033	LDWZDWKGVREGSM-UHFFFAOYSA-N	303.353	1.301	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)C(F)(F)C1(O)CCCC1	803226512	XWTHUKFCDXOCCK-UHFFFAOYSA-N	314.336	1.984	50	20	DDGD	
CC(C)(C)n1ncnc1CNS(=O)(=O)CCCCCl	800181120	FXWGUKHXTUOGCL-UHFFFAOYSA-N	308.835	1.472	50	20	DDGD	
O=C(Cc1ccccc1O)NNc1ccc2c(=O)[nH]ccc2c1	803435662	ISHQZRDPYPICBV-UHFFFAOYSA-N	309.325	1.920	50	20	DDGD	
C[C@H]1CSC[C@@H]1NC(=O)NNC(=O)c1ccc(C#N)cc1	805027661	QBGRFGNHXGXDMF-CABZTGNLSA-N	304.375	1.254	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNc1ccc(C(F)(F)F)nn1	812540457	WPBQAWQPXSVCOU-SFYZADRCSA-N	306.288	1.857	50	20	DDGD	
CC(C)(C#N)[C@H]1CCCC1=NNC(=O)Cc1cc(O)nc(O)n1	814859843	CHQXDZBNJMMZGQ-JTQLQIEISA-N	317.349	1.252	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1cccc2c1OCC2	817351930	PRDQQDGAZMOBDA-UHFFFAOYSA-N	312.391	1.367	50	20	DDGD	
NC(=O)c1ccccc1CCC(=O)NNc1cccc(Cl)n1	817009147	WWMHJSBTTOKIBT-UHFFFAOYSA-N	318.764	1.910	50	20	DDGD	
Cn1nncc1NNC(=O)CC(C)(C)CC(=O)c1ccccc1	816769854	ZLDDRVAJQRNCOV-UHFFFAOYSA-N	315.377	1.948	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1nn(-c2ccccc2F)cc1O	819114492	JQTAXDAXELFIPF-UHFFFAOYSA-N	318.308	1.278	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cccc2nc(O)[nH]c12	816918323	XIKYTWXOQTXLBA-UHFFFAOYSA-N	313.273	1.934	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)c1cc(Cl)ccc1O)C1CC1	812454277	DSHUUOUFRIXGAK-AWEZNQCLSA-N	312.753	1.622	50	20	DDGD	
Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NN(C)C3CC3)C2)cc1	819646076	ZUEQRBHSKJEJOQ-OAHLLOKOSA-N	315.417	1.973	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@@]2(C)CC2(F)F)cc1	817598780	AEAGVRYTWMPRES-CYBMUJFWSA-N	312.320	1.951	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=Cc1cccc2cc[nH]c12	814861044	YHRTVSNJXWCCSA-UHFFFAOYSA-N	311.301	1.062	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H]2CCCSC2)nc1C	810932115	LSGPWYOQFQVGDY-SNVBAGLBSA-N	324.406	1.548	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2cscn2)c1	728458085	XUONPAUPZNYAIZ-UHFFFAOYSA-N	307.331	1.235	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(C)c(C)c1O	728156087	ATLWEZFQRICOFR-GFCCVEGCSA-N	324.402	1.284	50	20	DDGD	
CCCNC(=O)NNC(=O)CCCOc1ccc(C(C)=O)cc1	729345518	NZUAGHPFYGLTFT-UHFFFAOYSA-N	321.377	1.789	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@@H](C)[C@H]1CCCN(C2CCC2)C1	828808398	NAWAMJNAWOEIBS-KBPBESRZSA-N	324.469	1.032	50	20	DDGD	
CCCN1CC[C@@H](NC(=O)NNc2cccc([N+](=O)[O-])c2)C1	823054973	YIDZEKLVZUCLAX-GFCCVEGCSA-N	307.354	1.705	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)[C@@H]2CCCCO2)CCOc2ccccc21	820941682	AJQMFCIGNUOXQQ-WMLDXEAASA-N	318.373	1.443	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccccc1Oc1ccncc1	823921736	BCGOUIAIUVGWTO-LBPRGKRZSA-N	301.346	1.831	50	20	DDGD	
CC(C)C(C)(C)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	492412682	OCEXIZCTEKDHCF-UHFFFAOYSA-N	315.414	1.731	50	20	DDGD	
CCN(CCO)NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1	823874341	RMVSCJKXXZXYCJ-GFCCVEGCSA-N	321.204	1.762	50	20	DDGD	
O=C1NC(=O)[C@H]2CN(Cc3ccc(OCCCCl)cc3)C[C@@H]12	824893575	WFAIPIOFVFJENO-OKILXGFUSA-N	322.792	1.399	50	20	DDGD	
COc1cccc(OCCC(=O)NNC(=O)NCC2CC2)c1	822785751	ASGJMGBOXCASID-UHFFFAOYSA-N	307.350	1.205	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cnc(Cl)c(Br)c1	823922211	JGUHWUJATMCPLJ-LURJTMIESA-N	322.590	1.455	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(C)nn1-c1cc(C)ccn1	495850293	RHMSXVJYCLMYMR-UHFFFAOYSA-N	304.310	1.277	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=O)Cn2ccc3ccccc32)CC1	823130125	UHCHWJWKDBOKAR-UHFFFAOYSA-N	313.357	1.548	50	20	DDGD	
Cc1cccc2c1O[C@H](C(=O)NNC(=O)NC1CCCC1)C2	825477155	NHRADXNIIPXNGI-ZDUSSCGKSA-N	303.362	1.572	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)OC(C)(C)C)C1CCCC1	823300309	NZPBYBBJYGWXCS-NSHDSACASA-N	301.387	1.931	50	20	DDGD	
COc1cc(C(=O)NN(C)[C@@H](C)CO)ccc1C(F)(F)F	823912504	HOCFWKWJAJEPIS-QMMMGPOBSA-N	306.284	1.671	50	20	DDGD	
CC(C)(C)N1CC[C@@H](NC(=O)NNc2cccc(C#N)c2)C1=O	827366028	XRUZOSXNMXYYIR-CYBMUJFWSA-N	315.377	1.584	50	20	DDGD	
CN1CC[C@@]2(CCN(C(=O)/C(C#N)=C\c3ccc(O)cc3)C2)C1	490944728	XQLQDHQISKXANT-QWSHFYNQSA-N	311.385	1.853	50	20	DDGD	
CSc1nc(C2CC2)nc(C)c1C(=O)NN(C)[C@@H](C)CO	823977082	NWBJHMBJRLWAAB-QMMMGPOBSA-N	310.423	1.342	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)C(=O)Nc1ccc(C)c(C)c1	491547167	ZDDGJTDXLNDCGX-UHFFFAOYSA-N	323.356	1.222	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)COc1ccc(C)cc1	822202853	STBAACQVSXQTRG-KGLIPLIRSA-N	304.346	1.112	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)C(C)(C)Oc1ccc(Cl)cc1	823977114	ONXLBJAMQUNWMJ-SNVBAGLBSA-N	300.786	1.841	50	20	DDGD	
CNc1nccc(C(=O)NNC(=O)OC(C)(C)C)c1[N+](=O)[O-]	496525469	IXHBMMREAXKLSZ-UHFFFAOYSA-N	311.298	1.201	50	20	DDGD	
COC(=O)N(C)CCNC(=O)NNc1cc(F)cc(Cl)c1	822767740	PSRFTTXLMHENSA-UHFFFAOYSA-N	318.736	1.803	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNC(=O)Cn1ccc2ccccc21	491622175	HGDLZKFSQDRXFS-AWEZNQCLSA-N	312.373	1.774	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)/C=C\C2CCOCC2)cc1	492815791	YEIYCIAQICOWSM-UQCOIBPSSA-N	319.361	1.831	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2ccc(Br)cc2)cn1	735410992	GTWJJWJJFOYGKK-UHFFFAOYSA-N	307.151	1.947	50	20	DDGD	
COC(=O)[C@@H](C)Oc1ccccc1C=NNC(=O)C1CCC1	901189379	QRWVJVVMLPHAJN-LLVKDONJSA-N	304.346	1.877	50	20	DDGD	
C[C@@H]1CCCc2ncc(-c3nc(-c4ccc(B(O)O)cc4)no3)n21	585051717	LQCOSPWEQFYFJH-SNVBAGLBSA-N	324.149	1.177	50	20	DDGD	
C[C@@H](C=NNC(=O)Cc1ccncc1)CNC(=O)OC(C)(C)C	495957865	RWRRQRMTGOASRP-GFCCVEGCSA-N	320.393	1.887	50	20	DDGD	
CN(C)CCn1cc(NC(=O)NNc2ccnc(Cl)c2)cn1	821501364	VFFLIOUNKBJTCF-UHFFFAOYSA-N	323.788	1.642	50	20	DDGD	
C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)NCB(O)O	585061831	IXALLWFQUAICSR-ZDUSSCGKSA-N	313.162	1.173	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1cnc(C(C)(C)C)nc1	490943306	RCNSAKQHRBXJGC-JYRVWZFOSA-N	302.378	1.834	50	20	DDGD	
Cc1ccc2c(c1)[C@H](NC(=O)NNC(=O)[C@H]1CCCCO1)CC2	836286393	GDLRORUSZCJYNF-HUUCEWRRSA-N	317.389	1.882	50	20	DDGD	
O=C(CN1CCCCC1=O)NNc1cc(C(F)(F)F)ccn1	832963286	VKDANYCEFBGFIB-UHFFFAOYSA-N	316.283	1.556	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2CCC[C@H](C(=O)O)C2)cc1	737255291	AGPRWNSMKIKSMY-KGLIPLIRSA-N	318.373	1.901	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)Nc2ccc3c(c2)OCO3)n1	834983258	MGZMEJAYSPWVBE-UHFFFAOYSA-N	316.321	1.491	50	20	DDGD	
C#CCCCC(=O)NN[C@H](C(=O)OC)c1cccc(OC)c1	901643984	MTUNMDPXQRZUDK-HNNXBMFYSA-N	304.346	1.334	50	20	DDGD	
CC[C@@H](NCc1ccc(B(O)O)cc1F)c1ccccc1F	585045924	OJTNHYAXOWOUJW-MRXNPFEDSA-N	305.133	1.886	50	20	DDGD	
CC[C@@](C)(NC(=O)c1cccc(B(O)O)c1)c1nc(C)cs1	584952842	XCKUDSWHOOEYMK-OAHLLOKOSA-N	318.207	1.187	50	20	DDGD	
COCCCC(=NNC(=O)c1ncon1)c1ccc(F)cc1	901289658	KJDZFSRSOLLLFE-UHFFFAOYSA-N	306.297	1.769	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCN2CCCC2=O)c(F)c1	837209789	QIKUOTPCYGBGGG-UHFFFAOYSA-N	323.324	1.068	50	20	DDGD	
COc1ccc(CN(CCO)S(=O)(=O)CCl)c(OC)c1	830632574	BFTAZFXNGPCHAZ-UHFFFAOYSA-N	323.798	1.024	50	20	DDGD	
Cc1ccc2c(CC(=O)NNC(=O)[C@H]3CCCCO3)c[nH]c2c1	833250663	JPVGGOZJBPEESB-OAHLLOKOSA-N	315.373	1.735	50	20	DDGD	
C[C@H]1C[C@@H]1c1ccc(-c2nc(-c3cccc(B(O)O)c3)no2)o1	585054337	SWGIIYCLBMOZFP-CABZTGNLSA-N	310.118	1.800	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CC2CCOCC2)c1F	837060094	HVHBIZFFRVNICS-UHFFFAOYSA-N	310.325	1.872	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)c1	837506373	GKGQGWQEQBSADJ-FXBDTBDDSA-N	304.737	1.665	50	20	DDGD	
Cc1cc2c(cc1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)OCO2	831620607	FDQFFAQBEGKRHA-ZJUUUORDSA-N	321.333	1.301	50	20	DDGD	
COCCN(C)NC(=O)CSc1nc(C)c(C)c(C)c1C#N	837622491	SHUKCQSGIZLHFI-UHFFFAOYSA-N	322.434	1.580	50	20	DDGD	
CC[C@@H]1C[C@H]1CNC(=O)NNC(=O)CCOc1ccccc1	836263002	NPSPXLDCDYIUEE-OLZOCXBDSA-N	305.378	1.832	50	20	DDGD	
O=C(NCCSC(F)(F)F)NNC(=O)[C@H]1CCCCO1	836239098	LJXPRHAZQHMRSN-SSDOTTSWSA-N	315.317	1.139	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2cccc(S(C)(=O)=O)c2)[C@@H](C)O1	834941965	USJFPGQKIOZMFH-VHSXEESVSA-N	310.375	1.373	50	20	DDGD	
Cc1c(Cl)cncc1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	831840703	RBPVPGULIMFVPX-RKDXNWHRSA-N	312.757	1.621	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1ccc(C#N)cc1)C1CCOCC1	834949839	NTGVYQPORYPMOH-HNNXBMFYSA-N	301.346	1.715	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@]2(C)CCCCO2)c1	837318269	YFDMFPKUEXNMCE-INIZCTEOSA-N	305.378	1.473	50	20	DDGD	
CCCCSCC(=O)NNC(=O)Cc1ccccc1OC	919822984	YLNMIXZCTOACFI-UHFFFAOYSA-N	310.419	1.918	50	20	DDGD	
C[C@H](NC(N)=O)C(=O)NNc1ccc(OCC(F)(F)F)cc1	748695564	NAOONAAHOBWZPM-ZETCQYMHSA-N	320.271	1.128	50	20	DDGD	
Cc1ncc2c(n1)CC[C@@H](NC(=O)NNC(=O)C1CCCC1)C2	916314302	UUWQYNNILFMQEM-CYBMUJFWSA-N	317.393	1.163	50	20	DDGD	
Cc1ccc(C(C)(C)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	843646115	IIOAJRMVIJHNCP-OCCSQVGLSA-N	304.390	1.845	50	20	DDGD	
Cc1cccc(C)c1NC(=S)NNC(=O)c1ncccn1	746093598	TZJPIXNDOCDTHQ-UHFFFAOYSA-N	301.375	1.725	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)NCc1ccon1	747511709	JLXXCWANJGRWCO-UHFFFAOYSA-N	308.725	1.401	50	20	DDGD	
CC(=O)N1CC(C(=O)NNc2ncnc(Cl)c2C(C)C)C1	840546012	XOARARKLXLRKSA-UHFFFAOYSA-N	311.773	1.175	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)[C@@H](C)[C@H](C)S(C)(=O)=O)c1	841408966	OWPXVOJNRHWBSF-UWVGGRQHSA-N	302.371	1.646	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cn(C)nc1-c1ccncc1	842553218	FVBCNTUXBGYKGP-SMDDNHRTSA-N	313.361	1.357	50	20	DDGD	
COCCN(C)NC(=O)C[C@H](c1ccccc1)c1ncc[nH]1	848377806	CGLFSRJEDFQBNO-CQSZACIVSA-N	302.378	1.541	50	20	DDGD	
CN(C)CCCCC(=O)NNc1ncc(Br)cn1	848321337	PXIFSPPOISCFGG-UHFFFAOYSA-N	316.203	1.414	50	20	DDGD	
CCCC[C@@H](CN)NC(=O)NNc1cccc(C(=O)OC)c1	841959673	ZLKDXOODENXZRU-ZDUSSCGKSA-N	308.382	1.617	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccn(C)c(=O)c2)o1	746298812	JUGIJORBFWLUGZ-UHFFFAOYSA-N	301.306	1.125	50	20	DDGD	
CCC1(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)COC1	843870548	JEEHPKXMJZEWKX-UHFFFAOYSA-N	306.366	1.650	50	20	DDGD	
CCC[C@H](O)[C@@H](CO)NC(=O)[C@H](Br)C(C)(C)C	840551957	QCGPECQUIOCWEY-UTLUCORTSA-N	310.232	1.434	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)C[C@@H](C)n1ccnc1	845917091	GYOSKCFBBKLGRO-LLVKDONJSA-N	302.334	1.764	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)N[C@@H]1CC[C@@H]2CNC[C@H]2C1	842012748	AXTUJAOQOWIWMU-GMTAPVOTSA-N	309.801	1.749	50	20	DDGD	
COc1cccc(CNC(=O)NNC(=O)c2ccc[nH]2)c1OC	918233383	DFBLMIWZOMQMHR-UHFFFAOYSA-N	318.333	1.176	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccc(O)c([N+](=O)[O-])c1	842561926	OGIWEAYSLACREO-MWLCHTKSSA-N	307.306	1.566	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C(C)(C)c1ccccc1)c1cnn(C)c1	749986323	PCPCYLOUIUTZAC-GFCCVEGCSA-N	314.389	1.649	50	20	DDGD	
N#Cc1ccc(NCCNC(=O)NNC(=O)c2ccccc2)nc1	916521246	WPGWUHSCMZKGEA-UHFFFAOYSA-N	324.344	1.009	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CC(N2CC[C@@H](O)C2)C1	843996277	AVVMBCZPWBDYBQ-ROCHPLJESA-N	315.348	1.010	50	20	DDGD	
N[C@H]1CCC[C@@H](NC(=O)NNC(=O)c2cc3ccccc3o2)C1	841982746	IJXRJHKEGQSFJD-NWDGAFQWSA-N	316.361	1.647	50	20	DDGD	
CC[C@H](C)Oc1cccc(S(=O)(=O)NNC(=O)OC)c1	849303967	BIFCINCWIMLHPZ-VIFPVBQESA-N	302.352	1.413	50	20	DDGD	
CC[C@H](C)CC[C@H](O)CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843970706	JXGXBBPJQPFDOC-RNJOBUHISA-N	300.399	1.136	50	20	DDGD	
CC(C)C[C@@H](C)CC(=O)NNc1ccccc1S(N)(=O)=O	842262396	UDMKTAWCEKLFIE-LLVKDONJSA-N	313.423	1.849	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(CC)c([N+](=O)[O-])c1	746591001	CUSRPOXZLKVBMA-UHFFFAOYSA-N	308.338	1.901	50	20	DDGD	
CCn1ccc(CC(=O)NNC(=O)CCCc2ccccc2)n1	844371133	LCKFBMAFEBKJRF-UHFFFAOYSA-N	314.389	1.616	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cc(C)c(C)cc1O	741764026	PHZFEODBBVXDCI-UHFFFAOYSA-N	305.378	1.764	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(F)(F)c1ccc(F)cc1	843646959	LEKMOTQONSBQLT-GZMMTYOYSA-N	316.279	1.490	50	20	DDGD	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NNC(=O)NC1CC1	920823230	GZYBUQKXHXPTPG-KWCYVHTRSA-N	311.426	1.957	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)C(C)(C)c1ccccn1)C1CC1	855096838	FBCCVWRLEWPJRU-JTQLQIEISA-N	306.435	1.653	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1ccc2c(c1)CC(=O)N2	920829462	GDDMXGRFELBUSE-UHFFFAOYSA-N	304.350	1.241	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H](C)n1ccc2ccccc2c1=O	854919713	BZVGQBQZRQDARG-SNVBAGLBSA-N	318.402	1.030	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)c2ccc3ccccc3n2)O1	756902660	VQFZGOOGNVQBKB-SWLSCSKDSA-N	313.357	1.953	50	20	DDGD	
CC(Cc1ccc2c(c1)CCCC2)=NNC(=O)C(=O)NC1CC1	853283014	ZIIANBIRNIHGRY-UHFFFAOYSA-N	313.401	1.879	50	20	DDGD	
Cc1c(CNC(=O)NNc2ncnc3ccsc23)cnn1C	758921542	SOBLJAGVQRVTIR-UHFFFAOYSA-N	317.378	1.560	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1oc(CC)nc1C	854388271	DPXMBLAEMVCVQR-UHFFFAOYSA-N	313.354	1.096	50	20	DDGD	
CCc1ccccc1CC(=O)NN(C)C(=S)NCCCOC	854284566	OZPOYYJZOLMYFI-UHFFFAOYSA-N	323.462	1.666	50	20	DDGD	
COc1cc(C#N)ccc1C(=O)NNC(=S)NC(C)(C)C	929427010	DPUPLIUQUAPRQL-UHFFFAOYSA-N	306.391	1.474	50	20	DDGD	
CC(C)CCO[C@H](C)C(=O)NNC(=O)c1cccc(Cl)n1	857326416	WVNHPJQNOYHDRF-SNVBAGLBSA-N	313.785	1.947	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C2CC2)[C@@H](C)C#N)cc1	852480370	QBEVFLQIMAOQLO-LBPRGKRZSA-N	300.362	1.133	50	20	DDGD	
CCOc1cccc(CCC(=O)NNC(=O)c2cccn2C)c1	858165869	PNPJRCWFTPFXDM-UHFFFAOYSA-N	315.373	1.818	50	20	DDGD	
CN1CCC[C@@H](CCNC(=O)NNc2ncc(Cl)cn2)C1	856915067	HEMOBLFNADSKTH-JTQLQIEISA-N	312.805	1.488	50	20	DDGD	
C[C@@H]1CCCC[C@H]1OCC(=O)NNC(=O)c1cccc(F)n1	856424509	NNFLTWMIDRRAQE-ZYHUDNBSSA-N	309.341	1.577	50	20	DDGD	
COC(=O)c1cc(OC(=O)c2cc(OC)no2)ccc1[N+](=O)[O-]	753705459	OLMUOTATOUUCQF-UHFFFAOYSA-N	322.229	1.597	50	20	DDGD	
COC1(C(=O)NNC(=O)COc2ccc(C#N)cc2)CCCC1	754654286	XUNVPPLOAMESNY-UHFFFAOYSA-N	317.345	1.044	50	20	DDGD	
COC(=O)COCC(=O)OC[C@H](CBr)C1CC1	859689473	QNBHBDWKKGIRMQ-VIFPVBQESA-N	309.156	1.140	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@H](C)c1ccsc1	854281715	JIHLQHOEHHJQNZ-SNVBAGLBSA-N	315.464	1.726	50	20	DDGD	
O=C(NNc1cccc2c1CCCC2)c1cnc2[nH]nnc2c1	755571286	VBBVRSGUGYVPRC-UHFFFAOYSA-N	308.345	1.989	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(NC(=O)C2CC2)ccc1C	755899209	RQTAEVQUGLQOJA-UHFFFAOYSA-N	320.349	1.143	50	20	DDGD	
C[C@H](CCN(C)C)NC(=O)NC[C@@]1(C)C[C@@H]1Br	856838897	FJSWDIGCPXMFJZ-JFGNBEQYSA-N	306.248	1.799	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(C)n(-c2ccccn2)c1C	854927175	XMFWOEYXKNZAKR-UHFFFAOYSA-N	317.418	1.570	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)COCc2ccccc2)[C@@H]1C	859489518	NAKRNCIFGREZIW-OQMKEHIESA-N	320.389	1.410	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCc1nc(C2CCCC2)no1	854923361	SNZYMHVRDKMJRH-UHFFFAOYSA-N	311.411	1.127	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)c1cccc(F)n1)C1CCC1	852368468	KAVZGMDNMBXLMA-UHFFFAOYSA-N	308.357	1.991	50	20	DDGD	
CSC(C)(C)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	854378342	NMPJDUNEQPUPRA-UHFFFAOYSA-N	311.363	1.710	50	20	DDGD	
COc1cc(F)c(NC(=O)NNC(=O)CC2CC2)cc1OC	756467681	WVHPRZBIFLDMKH-UHFFFAOYSA-N	311.313	1.796	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@H](C)c1cccc(O)c1	759692613	HNLPTCWCZHZJLG-VXGBXAGGSA-N	307.394	1.625	50	20	DDGD	
Cn1c(C(=O)NC[C@@]2(C)C[C@@H]2Br)ccc1[N+](=O)[O-]	857400504	BXENVQRHLFEJKB-GZMMTYOYSA-N	316.155	1.837	50	20	DDGD	
C[C@@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)c1cccc(C#N)c1	759748206	VGUJITAAQPENPD-AAEUAGOBSA-N	316.361	1.317	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cc1	853387418	XQOLFNUXMHSZQU-HIFRSBDPSA-N	303.362	1.009	50	20	DDGD	
Cc1cc([C@@H](C)NC(=O)NNC(=O)[C@H]2CCC(=O)N2)c(C)s1	858133551	SLBVCQDRYNNJDP-LDYMZIIASA-N	324.406	1.035	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@@H]1CCN(C2CCCCC2)C1	852084084	PVLFHZGBDLSDTJ-GFCCVEGCSA-N	310.442	1.770	50	20	DDGD	
Cc1cc(N(C)C)ccc1NC(=O)NNC(=O)c1cccnc1	755809841	PQJMSTSCMSDFAI-UHFFFAOYSA-N	313.361	1.923	50	20	DDGD	
COC(=O)c1cc(CN(C)NC(=O)OCc2ccccc2)on1	931153085	AUBOKSUHXRCCFD-UHFFFAOYSA-N	319.317	1.734	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)CCc1ccc(O)nc1)C1CC1	855097168	KTRYDPCRFRUKDO-SECBINFHSA-N	308.407	1.014	50	20	DDGD	
COCCCn1cc(C(=O)NNc2ccc(Cl)nc2)cn1	863893040	OWGZTBGFGAFMJX-UHFFFAOYSA-N	309.757	1.725	50	20	DDGD	
COc1ccc2c(c1)[C@@H](C(=O)NNC(=O)NCC1CC1)CC2	761623974	JNWWGHCYYJXSGD-ZDUSSCGKSA-N	303.362	1.465	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(Br)c(OC)c1	861657339	VGLXOHRWEJGMIO-UHFFFAOYSA-N	317.183	1.681	50	20	DDGD	
Cc1ccc(C=NNC(=O)CNC(=O)c2cccs2)cn1	764911587	LMBJYWWDBXLVNP-UHFFFAOYSA-N	302.359	1.332	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CCC(=O)N1)c1cc(C(=O)O)ccc1F	863148075	SMDLYXYRPXRNLF-GFCCVEGCSA-N	321.308	1.033	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2ccc(CC(C)C)cc2)n[nH]1	869012894	GIHDTEFBFVERPF-UHFFFAOYSA-N	314.389	1.920	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2CCO[C@H](C(C)C)C2)n1	933985510	IQMNUNKGCHHVCI-RYUDHWBXSA-N	308.382	1.688	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cn(CC)c2ccccc12	768264812	NXSFOULGXAOPDS-UHFFFAOYSA-N	302.403	1.956	50	20	DDGD	
CC(=O)OCCCc1cccc(NC(=O)NNC(=O)C(C)C)c1	765367858	MGSMJDWLJOMXDR-UHFFFAOYSA-N	321.377	1.991	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H]1CC[C@H](C(N)=O)O1	861792480	PURIKCMWESKMGD-OLZOCXBDSA-N	305.378	1.594	50	20	DDGD	
COC(=O)c1cccc(NC(=O)NNc2ncc(F)cn2)c1	760309931	MXNKSMYUEFKGJC-UHFFFAOYSA-N	305.269	1.551	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)c1cncnc1	760482288	BNZCRSIGVZJHMP-UHFFFAOYSA-N	306.325	1.634	50	20	DDGD	
O=C(NN=Cc1c[nH]c2cccc(F)c12)[C@@H]1CCS(=O)(=O)C1	763359727	SKUYQPKEEMOWRJ-SECBINFHSA-N	323.349	1.192	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(OC(F)F)c(OC)c1	1118576044	SQPZPIKPFFWJID-UHFFFAOYSA-N	303.265	1.859	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H](CCO)C(F)(F)F	1119434884	IRRNHWLJKYAJQL-ZETCQYMHSA-N	311.753	1.484	50	20	DDGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)C(C)(C)O)cc1	874949418	OKHONNCHYOPSJU-UHFFFAOYSA-N	311.407	1.562	50	20	DDGD	
CC(C)C(NC(=O)NN[C@]1(C)CCS(=O)(=O)C1)C(C)C	770414708	FKHRTNWFBZSAHE-CYBMUJFWSA-N	305.444	1.048	50	20	DDGD	
CCOc1ccc([C@@H]2C[C@H]2NC(=O)NN(C)C(=O)OC)cc1	875553178	FJVDEICYLKDIEZ-QWHCGFSZSA-N	307.350	1.854	50	20	DDGD	
Cc1cccc([C@H]2CCN(C(=O)NNC(=O)c3cn[nH]c3)C2)c1	1118863780	BTJMHKXEBUDXJJ-ZDUSSCGKSA-N	313.361	1.562	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc([C@@H](C)C(=O)OC)cc1	879892474	XTBCOFDLHQDZGP-LLVKDONJSA-N	309.366	1.578	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1	875301842	FWBUKQDWIQGPAR-GFCCVEGCSA-N	324.356	1.707	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)[C@H]1COc2ccccc2O1	774783580	ZSZWBRJFLPFFKY-OAHLLOKOSA-N	322.324	1.913	50	20	DDGD	
COc1ccc(SC)c(OC)c1C(=O)NNc1cnccn1	775280965	JOMIFVXSUWTOHI-UHFFFAOYSA-N	320.374	1.973	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Cc2cn3ccccc3n2)C1	776334503	SRDNFROOCVVNSX-NWDGAFQWSA-N	300.362	1.460	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H](C)N(C)Cc1ccccc1	875268383	YSYYHPZOHZISHE-GFCCVEGCSA-N	308.382	1.419	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H]2CCOC3(CCOCC3)C2)cc[nH]1	875397390	XGEMDHROIHSZQV-CQSZACIVSA-N	320.393	1.166	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cccn1Cc1cccs1	779816502	JQHHCAWYLDMQFQ-UHFFFAOYSA-N	320.374	1.404	50	20	DDGD	
COc1cccc(C)c1NC(=O)C(=O)NNC(=O)CC(C)(C)C	773544053	XQXHARNAWBDPJY-UHFFFAOYSA-N	321.377	1.526	50	20	DDGD	
O=C(NNc1ccc(F)cc1Cl)[C@H]1CCCCS1(=O)=O	885137223	QDQGKHKJFKBEPX-LLVKDONJSA-N	320.773	1.890	50	20	DDGD	
CCCCn1cc(C(=O)NNc2ccnc(N(C)C)n2)c(C)n1	771735796	DCSGIPJKJAEYLF-UHFFFAOYSA-N	317.397	1.605	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C(C)(C)c1ccc(F)cc1	772090023	GLQMTBMPPTYSHY-SNVBAGLBSA-N	324.352	1.592	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@@H](OCC)c1ccccc1	775200098	JDIMZGXNTOAPDP-CYBMUJFWSA-N	309.366	1.131	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1cnc2ccccc2n1	779839359	BETLGLVVOMXODD-UHFFFAOYSA-N	301.350	1.379	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1c[nH]c2ccc(OC)cc12	887141984	RKHVCZAPAKNBQU-UHFFFAOYSA-N	313.357	1.670	50	20	DDGD	
O=C(NC[C@@H]1COC2(CCOCC2)O1)NNc1ccccc1	777761757	VTRGZHYAHJKSEF-CYBMUJFWSA-N	307.350	1.235	50	20	DDGD	
COc1ccc(NNC(=O)Nc2cccc(C(N)=O)c2)nc1	780666646	NVPXOMNPHWJEIK-UHFFFAOYSA-N	301.306	1.338	50	20	DDGD	
COC(=O)[C@@H]1CC12CCN(S(=O)(=O)CCCCl)CC2	881895004	BUWBQOPGUUYDNK-JTQLQIEISA-N	309.815	1.220	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccc(F)cc1	1122050312	RBCCOPJOPIKUNJ-GIPNMCIBSA-N	309.341	1.642	50	20	DDGD	
C[S@](=O)CCCNC(=O)NNc1cc(C(F)(F)F)ccn1	1122014997	PWFAEVKFKHAXEH-NRFANRHFSA-N	324.328	1.495	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)O[C@H](Cc1ccc(F)cc1)C(N)=O	786677590	IKWXXBBUMOKWAR-WEKMIXOTSA-N	302.305	1.625	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=S)NCC2CCC2)n2cccc21	788741746	NYIRSYXKZVRDGF-GFCCVEGCSA-N	320.418	1.301	50	20	DDGD	
CN1CCCN(CCCNC(=O)C2CCC(Cl)CC2)CC1	1123567170	MFGSJGBEGGYKRR-UHFFFAOYSA-N	315.889	1.928	50	20	DDGD	
O=C(NNc1cccnc1Cl)C(=O)Nc1ccc(F)nc1	784849026	RKGDERGDZJIUJK-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC[C@H](C(F)(F)F)C1(C)C	787330370	YVYYFLLXYXCSHA-VIFPVBQESA-N	323.359	1.843	50	20	DDGD	
CCN1CCN(S(=O)(=O)CCCCCl)C(C)(C)C1=O	780855253	MKYVJBZJGUXDBT-UHFFFAOYSA-N	310.847	1.278	50	20	DDGD	
C[C@H](NC(=O)NNc1ncncc1Cl)C(C)(C)CN(C)C	780998387	UBBLJDVHGVVHCQ-VIFPVBQESA-N	314.821	1.732	50	20	DDGD	
Cc1c[nH]cc(C(=O)NNc2ccc(Br)nc2)c1=O	781426435	OHISLTOWNVXPRU-UHFFFAOYSA-N	323.150	1.598	50	20	DDGD	
CCOC(=O)[C@H](C)N(C1CC1)S(=O)(=O)CCCCCl	786921801	AKJXMLVTNKGABP-JTQLQIEISA-N	311.831	1.751	50	20	DDGD	
C#CCN1CCC[C@@H](NC(=O)NNc2cccc([N+](=O)[O-])c2)C1	890376909	CANKBDRJYNHLSX-CYBMUJFWSA-N	317.349	1.319	50	20	DDGD	
CC(C)C[C@@H]1C[C@@H](NS(=O)(=O)CBr)CCO1	782476487	AFFIXHKLQRETFT-VHSXEESVSA-N	314.245	1.852	50	20	DDGD	
CCNC(=O)CC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	780853542	BLWGPLWIOMMPAE-SECBINFHSA-N	323.418	1.160	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)C12CCC(CC1)C2	785002595	PPIRCJFCVBMSMC-UHFFFAOYSA-N	312.373	1.764	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(F)cc2[N+](=O)[O-])nc1	781525995	LADIIFSYJANXAM-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
COC(=O)c1ccc(/C=C(/C#N)C(=O)C2CCOCC2)n1C	899370983	CLLXLDVOIUBEQY-XFXZXTDPSA-N	302.330	1.714	50	20	DDGD	
CN(NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1	783434277	GXNBUNVNIXKQQH-UHFFFAOYSA-N	312.304	1.803	50	20	DDGD	
CS(=O)(=O)c1ccc(NC(=O)NNc2ccnc(F)c2)cc1	781160085	BJGQVISVVREEON-UHFFFAOYSA-N	324.337	1.773	50	20	DDGD	
C[C@H]1CCCN1CCNC(=O)NNC(=O)c1ccccc1F	897474517	USTYHYUREXIFFV-NSHDSACASA-N	308.357	1.254	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NCCN2CCNC2=O)cc1	891072730	KLCMSACFZBEFJJ-UHFFFAOYSA-N	319.409	1.635	50	20	DDGD	
O=C(NNC(=O)c1cnc(NC2CC2)s1)NC1CCCCC1	899940536	POPYJXJHJUDWTE-UHFFFAOYSA-N	323.422	1.994	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cnc(CC(C)C)nc2)n[nH]1	791953320	QJTRIXJAZBIDBG-UHFFFAOYSA-N	317.353	1.173	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cn(Cc2cccs2)nn1	791217400	QTQXDTJEVKKMMA-UHFFFAOYSA-N	314.374	1.848	50	20	DDGD	
C=C(CBr)CN1CCN(CC(C)(C)O)C[C@@H]1C	791533551	SLMZNSKMZPLCFA-LBPRGKRZSA-N	305.260	1.715	50	20	DDGD	
C[C@@H](C(=O)NNC(=S)NC(C)(C)C)N1CCc2ccccc21	899991901	DUBUJAZGSBESBC-NSHDSACASA-N	320.462	1.731	50	20	DDGD	
COc1cccc(C=NNC(=O)c2ccc(O)c(O)c2)c1OC	794557827	QTESTGDWRUCREE-UHFFFAOYSA-N	316.313	1.879	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])c1[N+](=O)[O-]	791069982	VNTBIELVHACANE-UHFFFAOYSA-N	324.228	1.431	50	20	DDGD	
CO[C@@H]1CCN(CC(=O)NNC(=O)c2cccs2)[C@@H](C)C1	799343869	OYNNNHGCKZSNFM-WDEREUQCSA-N	311.407	1.008	50	20	DDGD	
O=C(NNC(=O)c1cccnc1F)c1ccc2ccccc2n1	791195578	BLROEFKTSWATIE-UHFFFAOYSA-N	310.288	1.844	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)c2ccc(C#N)o2)cc1	794352836	DFIAUWBIYBKAML-UHFFFAOYSA-N	313.317	1.684	50	20	DDGD	
Cn1c(=NNC(=O)c2ccc3nn[nH]c3c2)sc2ccccc21	798304049	CQWMNUIKEFZFHM-UHFFFAOYSA-N	324.369	1.757	50	20	DDGD	
CSSCCNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C	791151785	CQLJVSFOJMQREF-QMMMGPOBSA-N	314.498	1.078	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CCN(CC(F)(F)F)C2)nc1	792452271	YVDJVNQRWFPFGI-VIFPVBQESA-N	318.299	1.418	50	20	DDGD	
CSSCCNC(=O)N(C)Cc1cccc(C(N)=O)c1	790880893	ZNFJLYFWEUTMIV-UHFFFAOYSA-N	313.448	1.938	50	20	DDGD	
CC[C@H]1CCC[C@@H]1NCC(=O)NNC(=O)Cc1ccccc1C	794575991	QHMAJISRXSIXQA-HOCLYGCPSA-N	317.433	1.853	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc2c(c1)CN(C(C)=O)C2	1319962946	PZCXBXZNLSHNMP-UHFFFAOYSA-N	306.322	1.331	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc(Cl)nn2)c(C(F)(F)F)n1	1318939202	SITIZILGOAVUMT-UHFFFAOYSA-N	320.662	1.639	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NC/C=C\C1CC1	1325007504	IWMDUHLBLKVBRH-WYGGZMRJSA-N	321.352	1.890	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(C)n1CC1CC1	1326347560	GDFNSRXSLYCCIO-TZMCWYRMSA-N	319.405	1.701	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@H]2CCOC[C@@H]2C)cc1	1324990409	UUCLGWQPDVHCBP-WCQYABFASA-N	321.377	1.312	50	20	DDGD	
COc1nccc(C=NNC(=O)CCN2CCC(C)CC2)n1	1324849207	PFNGBSPYKPYDQS-UHFFFAOYSA-N	305.382	1.057	50	20	DDGD	
CCOc1ccc(C(=O)NNc2ccn(C)n2)cc1OCC	1256185138	SYPXFNHLBZLNSH-UHFFFAOYSA-N	304.350	1.974	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1cnc(Cl)cc1Cl	1330600937	HMFMJEAYIJKNIW-UHFFFAOYSA-N	314.150	1.280	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)CCOc1ccccc1	1336316914	YPZZXXYHMVSNSG-UONOGXRCSA-N	306.362	1.418	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CCO)cc1OC(C)C	1254981024	MJPOHGCTNIFPMM-UHFFFAOYSA-N	311.338	1.018	50	20	DDGD	
CC(C)(C)OCc1cccc(NC(=O)NNC(=O)CCO)c1	1334567864	ZBLURDMXEAQTJV-UHFFFAOYSA-N	309.366	1.537	50	20	DDGD	
CCN(CC)CC[C@H](C)NC(=O)NNC(=O)c1ccc(C)o1	1343493963	CBCCQOKGMTXELL-NSHDSACASA-N	310.398	1.652	50	20	DDGD	
CN1CCCC[C@H]1CNC(=O)NNC(=O)c1ccc(Cl)cc1	1346695259	LLQWKWZFJLUJSQ-ZDUSSCGKSA-N	324.812	1.768	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@@H](C)[C@H]1CCC(=O)N1	1351511889	WZRPHQPPJIKBBM-WCQYABFASA-N	312.373	1.901	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)[C@@H]3C[C@H]3F)n[nH]2)cc1	1518937767	WKKGSUTYCWRVTC-GHMZBOCLSA-N	302.309	1.504	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NNC(=O)[C@@H]2C[C@@H]2F)n[nH]1	1519840896	JBKXNIFBZDZGQF-ZJUUUORDSA-N	318.308	1.204	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1	1601046445	USJOVWOBQLDBPA-DHRYDCNGSA-N	312.325	1.669	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)O)C[C@@H]12	1600592265	CDGQKLUFNRNTEJ-KXNHARMFSA-N	304.350	1.515	50	20	DDGD	
Cc1nnc(NC(=O)NNc2ccc(C(=O)O)c(F)c2)s1	1600798238	FBGHSOQTDNIFCR-UHFFFAOYSA-N	311.298	1.832	50	20	DDGD	
CO[C@]1(C(=O)O)CCN(C[C@H](CBr)C2CC2)C1	1606702953	HSXWGTXTPFSINJ-CMPLNLGQSA-N	306.200	1.583	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@H](CC(C)(C)C)C(=O)O)cn1	1600944989	CXILVVMRMUAFMQ-JXDHDYMSSA-N	304.350	1.333	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)Nc1ccc(C(=O)O)nn1	1608480996	ZSHSIYZNPAIPND-UHFFFAOYSA-N	309.232	1.602	50	20	DDGD	
O=C(O)Cc1ccccc1NC(=O)NNC(=O)[C@H]1CCCS1	1606320645	NBWNZCUNAGKCBI-LLVKDONJSA-N	323.374	1.362	50	20	DDGD	
O=C(O)CC[C@@H]1CC[C@H](C(=O)NNc2cccc([N+](=O)[O-])c2)O1	1608736786	ZZFKCUGHYKKPDE-NWDGAFQWSA-N	323.305	1.450	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1cc(C(=O)O)co1	1601345216	RZVMPMZLACHZCC-UHFFFAOYSA-N	304.258	1.213	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCc3cc(C(=O)O)ccc32)cn1	1600944997	DBFXLCIUAXWSRN-MKMNVTDBSA-N	322.324	1.615	50	20	DDGD	
CC1(C)CNC[C@H]1NC(=O)NNc1ccc(C(=O)O)cc1F	1604545989	AWLNODSBVUAVBL-LLVKDONJSA-N	310.329	1.148	50	20	DDGD	
O=C(NCc1ccc(C(=O)O)cc1)NNc1ncncc1Cl	1611338581	YNVFYDLKGQJHDY-UHFFFAOYSA-N	321.724	1.655	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1C[C@H]2C[C@@H](C(=O)O)[C@H]1C2	1610557322	XEKXEYBKWMTWRI-BWZBUEFSSA-N	308.363	1.250	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@H]1C(=O)NN=Cc1ccc[nH]1	1549317724	VZSGUJZEISWUOA-OCCSQVGLSA-N	301.350	1.366	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@@H]1C=NNC(=O)c1ccccn1	1552447219	FHDOFXBGNKKWTN-DOMZBBRYSA-N	313.361	1.699	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@H](N)CC2CC2)c(Cl)c1	1579720483	XRXXTELFZBTKMC-LLVKDONJSA-N	310.785	1.929	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1cc(N)nn1C	1575847512	KQWVGDNGBVEFQF-UHFFFAOYSA-N	309.761	1.326	50	20	DDGD	
CC1(C)[C@H](N)C[C@H]1C(=O)NNC(=O)Cc1ccc(Cl)cc1	1576371160	JTUDNRFVOJNXJV-NWDGAFQWSA-N	309.797	1.403	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2ccnc(N)c2)ccc1C	1578860227	HOTPMRKNGVKODM-UHFFFAOYSA-N	300.318	1.516	50	20	DDGD	
C/C=C(/C)C(=O)N1CCCC12CN(C(=O)C(Cl)Cl)C2	1845970407	ANHNAQOXERNVTC-OQFOIZHKSA-N	305.205	1.960	50	20	DDGD	
CCO/C=C/C(=O)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846389155	JEWMTWDLXFLTQF-QPJJXVBHSA-N	321.204	1.544	50	20	DDGD	
O=C(N[C@@H]1CCNC1)[C@@]1(c2ccccc2)C[C@H]1Br	1580742352	SHXGCCIYOJNWKJ-YRGRVCCFSA-N	309.207	1.570	50	20	DDGD	
CC(C)/C=C/C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1846756853	ZHIRSCREERKQTQ-ITKZLYELSA-N	302.777	1.936	50	20	DDGD	
CSSCCNC(=O)N1CC(c2cc(C(=O)O)n[nH]2)C1	1599804110	HOLUHAZDIXGWKX-UHFFFAOYSA-N	316.408	1.228	50	20	DDGD	
O=C(NCc1ccccc1C(=O)O)NNc1ncc(F)cc1F	1594772146	VLJBRYDZMHFIAE-UHFFFAOYSA-N	322.271	1.884	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)c(F)c1	1592127944	CUFVHVDTFJLLRL-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
Cc1c(C(=O)O)cc(C=NNC(=O)Cc2ccncc2)n1C	1599984651	WWLBQYGRNRAXDP-UHFFFAOYSA-N	300.318	1.120	50	20	DDGD	
CCC[C@@H](CCc1ccccc1)NC(=O)NNC(=O)C(=O)O	1595590880	DSXRULIDQMEOEV-LBPRGKRZSA-N	307.350	1.203	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1ccoc1Cl	1593163211	OFLMABNELLULKV-UHFFFAOYSA-N	305.685	1.265	50	20	DDGD	
COc1c(C(=O)NNc2ccc(CC(=O)O)cc2)c(C)nn1C	1599328339	NTEMBOLXHRWUBJ-UHFFFAOYSA-N	318.333	1.121	50	20	DDGD	
C[C@@H]1CN(C(=O)/C(C#N)=C/c2ccc(F)cc2)C[C@H]1C(=O)O	1599851969	ZISMDAQOVJFVDA-LIPUJVHBSA-N	302.305	1.912	50	20	DDGD	
Cc1cc(NC(=O)NNc2ccncn2)cc(-c2nn[nH]n2)c1	1592028272	YQPIJDNICBJLCU-UHFFFAOYSA-N	311.309	1.114	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(OCCC(=O)O)cc1	1599232458	RAGIETDMSUHUME-UHFFFAOYSA-N	311.338	1.155	50	20	DDGD	
N#C/C(=C\c1ccc(CC(=O)O)cc1)C(=O)N=c1cc[nH]cc1	1777566021	ARZWFJSKOLTFQS-NTEUORMPSA-N	307.309	1.676	50	20	DDGD	
O=C(NN=C1CCO[C@@]12CCOC2)Nc1ccc(C(=O)O)cc1	1776046151	CQOLBJRBYKQDFT-OAHLLOKOSA-N	319.317	1.442	50	20	DDGD	
O=C(CNc1ccccc1)NN=Cc1ccc(C(=O)O)c(O)c1	1776016380	SWUTYJIVRKITIF-UHFFFAOYSA-N	313.313	1.653	50	20	DDGD	
CC(C)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl	1793109663	GBOJRODJKFFVGA-RNJOBUHISA-N	316.829	1.270	50	20	DDGD	
O=C(CSc1nnc(C2CC2)[nH]1)NNC(=O)c1ccccc1	11471556	IOIQJVKTGWRLJS-UHFFFAOYSA-N	317.374	1.235	50	20	DDGD	
CCNC(=O)NNS(=O)(=O)c1ccc(C(C)(C)C)s1	161274881	NAPVDJIEBVYXMU-UHFFFAOYSA-N	305.425	1.558	50	20	DDGD	
CC(C)c1nn(C)c(Cl)c1C(=O)NNC(=O)c1ccc[nH]1	158856665	HLQXELPKEJOZFS-UHFFFAOYSA-N	309.757	1.600	50	20	DDGD	
COc1cccc2c1OCC(C(=O)NNC(=O)C(C)(C)C)=C2	160301599	BTDHMXDGQHXQHA-UHFFFAOYSA-N	304.346	1.665	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)NNc1cccc([N+](=O)[O-])c1	151841672	DVYLYGGQDZZINV-UHFFFAOYSA-N	315.351	1.109	50	20	DDGD	
Cn1cc(CCC(=O)NNC(=O)c2ccc[nH]2)c2ccccc21	151549020	LNYXHWBMPDAQQH-UHFFFAOYSA-N	310.357	1.900	50	20	DDGD	
O=C(CN1CCCC1=O)NNc1ccc(C(F)(F)F)cc1	153723314	YCQRAONHBLXDJK-UHFFFAOYSA-N	301.268	1.771	50	20	DDGD	
COCCCN(CCOC)S(=O)(=O)CC(C)(C)CCl	866565130	IIXBMUANZBDINL-UHFFFAOYSA-N	315.863	1.566	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc2ccccc2c1O	6819896	NBKCNMGZXGYJNF-UHFFFAOYSA-N	301.371	1.840	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)c(F)c1	109859564	PLYZBSBMMMIKEL-MRVPVSSYSA-N	324.287	1.225	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)no1	58164981	QIYLLZGWRZLBBL-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
Cc1cc(C(=O)NNc2ncnc3nc[nH]c23)c(F)cc1F	178260241	KQSGRGAHCRCJBC-UHFFFAOYSA-N	304.260	1.696	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CCc1ccccc1O	106288922	RLMHEFAVIJLTID-UHFFFAOYSA-N	314.341	1.795	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(C3CC3)[nH]n2)c([N+](=O)[O-])c1	178094883	DVPJLWPDNMZSKF-UHFFFAOYSA-N	317.305	1.961	50	20	DDGD	
COc1ccc(Cn2cc(C(=O)NNc3ncccn3)cn2)cc1	109253132	FRVWQMDDQNAPIN-UHFFFAOYSA-N	324.344	1.487	50	20	DDGD	
C[C@@H]1CCCC[C@H]1OCC(=O)NNC(=O)c1ccccc1O	113414015	BHUWQFVVDNZXCY-BXUZGUMPSA-N	306.362	1.749	50	20	DDGD	
Cn1ccc2c(C(=O)NNC(=O)Cc3cccnc3)cccc21	103456683	VYHKCRSHNNBPLK-UHFFFAOYSA-N	308.341	1.577	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCOc1ccc(F)c(F)c1	106566589	ZVJYZQRFTFPHBU-UHFFFAOYSA-N	315.320	1.720	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCN(CC2CCCCC2)CC1	109834455	KGCPDWGRGXGNLP-AWEZNQCLSA-N	324.469	1.130	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1cscc1C	175718877	BHFKEXMAPAXAAM-UHFFFAOYSA-N	320.370	1.905	50	20	DDGD	
C[C@H](Oc1cccc(F)c1)C(=O)NNC(=O)c1cccnc1	29055505	PTOIRVOSRSFRII-JTQLQIEISA-N	303.293	1.449	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@H]1Cc2ccccc2O1	68449710	URPJCNRNCGCFCU-CYBMUJFWSA-N	301.302	1.114	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCc1cccc(C(N)=O)c1	171470767	ZNBNKPKVQRHVKP-UHFFFAOYSA-N	320.393	1.095	50	20	DDGD	
COc1ccccc1C(=O)NN[C@H](C(N)=O)c1ccc(C#N)cc1	115599897	ZZIYXZTVJIDVNU-HNNXBMFYSA-N	324.340	1.028	50	20	DDGD	
Cc1cn(CC(=O)NNC(=O)c2cccn2C)c2ccccc12	65086650	YEBYVUJWJLIDPD-UHFFFAOYSA-N	310.357	1.749	50	20	DDGD	
NC(=O)N1CCC(=NNC(=O)c2cccc3cccnc23)CC1	64366514	OFCCKBPDIAZQTM-UHFFFAOYSA-N	311.345	1.495	50	20	DDGD	
CCN(C[C@H]1COc2ccccc2O1)S(=O)(=O)CCl	111000947	TWWVYLPXCLEZPP-JTQLQIEISA-N	305.783	1.674	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)c1cnn(-c2ccccc2)c1)C1CC1	112824826	JUDCKTIYXVXOGL-XFXZXTDPSA-N	310.357	1.990	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccccc1C(C)=O	174734935	HLNIIJVQPAHMRI-UHFFFAOYSA-N	312.325	1.973	50	20	DDGD	
CCn1ncc(Br)c1C(=O)NN=c1cc[nH]c(C)c1	1347342707	MLLFOQFJLRKZMR-UHFFFAOYSA-N	324.182	1.548	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)c1	68195058	GEZDCVSBWYGLGI-OKILXGFUSA-N	319.405	1.255	50	20	DDGD	
O=C(NNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccncc1	123096022	RSOXLMNIZVDXNH-UHFFFAOYSA-N	320.692	1.718	50	20	DDGD	
CCOc1cccc(NC(=O)NNC(=O)c2ccncc2)c1	184464367	XKVGHRZESPPNHX-UHFFFAOYSA-N	300.318	1.947	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1cccnc1S	124324717	UGZDLQBYXXEAGE-UHFFFAOYSA-N	315.280	1.936	50	20	DDGD	
Cc1noc(CCCC(=O)NNC(=O)c2ccc(Cl)nc2)n1	77249249	BLCYZVQZBIZPCN-UHFFFAOYSA-N	323.740	1.210	50	20	DDGD	
O=C(NC1CC1)c1cc(F)c(NNC(=O)c2ccc[nH]2)c(F)c1	129253154	DEDOFQQSPXCABR-UHFFFAOYSA-N	320.299	1.942	50	20	DDGD	
COc1ccc(C)nc1NC(=O)NNc1ccc(Cl)nn1	127618325	VJUXBQMOOLKNOI-UHFFFAOYSA-N	308.729	1.991	50	20	DDGD	
C[C@H]1C[C@H]1CNC(=O)NNC(=O)Cc1nc2ccccc2n1C	47099260	UBAMMYFZVUYIBT-QWRGUYRKSA-N	315.377	1.102	50	20	DDGD	
CC(C)(C)c1ccc(-c2ccc(C(=O)NNC(=O)CO)o2)cc1	182745492	XFJFOMBCJSNLMT-UHFFFAOYSA-N	316.357	1.997	50	20	DDGD	
COCCC1(C(=O)NNC(=O)CCc2ccccc2O)CCC1	131260276	WOTGCBYHZKCMQM-UHFFFAOYSA-N	320.389	1.679	50	20	DDGD	
C[C@H](Cc1cccc(F)c1)C(=O)NNC(=O)c1ccncc1	195069473	NQOADQZGAKRXGV-LLVKDONJSA-N	301.321	1.861	50	20	DDGD	
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NNC(=O)C(C)(C)O	190064548	FCCFNHUTZMRQEJ-UHFFFAOYSA-N	309.322	1.052	50	20	DDGD	
O=C(NCc1cccc2cccnc12)NNC(=O)c1ccc[nH]1	194638698	CKZCJHXERDEKHR-UHFFFAOYSA-N	309.329	1.707	50	20	DDGD	
CCn1cc(NC(=O)NNC(=O)COc2cccc(C)c2)cn1	194294982	IDWYWFUMFRBTFF-UHFFFAOYSA-N	317.349	1.443	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cn1	198867540	BUYZWVSOGGEFIZ-NSHDSACASA-N	317.320	1.758	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCOCC(F)F)cc1	190532702	JPMOHQBGVFKMLM-UHFFFAOYSA-N	300.305	1.682	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])c(O)c1	255435760	PAKQUZLLJPTYIQ-WUFUFFIZSA-N	305.290	1.358	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2ccn(C)c2)cc1	268750426	NZMGADPUOFUKCP-UHFFFAOYSA-N	301.346	1.428	50	20	DDGD	
CN(CCN1CCOCC1)/C(=C/C#N)c1cccc([N+](=O)[O-])c1	267354022	GNOLEWKZEPVPHF-FZSIALSZSA-N	316.361	1.723	50	20	DDGD	
O=C(CSC[C@@H]1CCCCO1)NNC(=O)Cc1cccnc1	264038757	QLQMBEXMWNRAFR-ZDUSSCGKSA-N	323.418	1.074	50	20	DDGD	
COc1nccnc1NNC(=O)c1cccc([C@H]2CCOC2)c1	274149984	YVKHLUWSYSMKSQ-ZDUSSCGKSA-N	314.345	1.746	50	20	DDGD	
CCNC(=O)N(C)NC(=O)/C=C/c1ccc(OC)cc1OC	273065205	YYMYPVBRFBYVTK-VQHVLOKHSA-N	307.350	1.410	50	20	DDGD	
COCCC[C@H](C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	272098267	KXXFNTWUTWBMBV-FZMZJTMJSA-N	322.361	1.037	50	20	DDGD	
CCCc1ccccc1NC(=O)C(=O)NNC(=O)CC(C)C	274157458	LUIHJGLLNAZDST-UHFFFAOYSA-N	305.378	1.771	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCO[C@@H](C(C)C)C2)o1	271599250	YEIXVDFLMQVMHK-WCQYABFASA-N	309.366	1.736	50	20	DDGD	
C[C@H]1C[C@@H](CCNC(=O)NNC(=O)c2ccccc2F)CCO1	273141451	VRRBKRKJWKXLIA-RYUDHWBXSA-N	323.368	1.975	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)Cc1nc2ccccc2n1C	280956864	KEACQAXLUGXHGM-INIZCTEOSA-N	318.377	1.078	50	20	DDGD	
CSSCCNC(=O)c1c(C)nc(O)nc1SC	285671821	KTAMVQRZMQPDLD-UHFFFAOYSA-N	305.450	1.954	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NNc1cccc(OC)n1	281752027	HXTSJDLVQYOPIA-FZMZJTMJSA-N	306.366	1.698	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)Nc1cc(F)cc(F)c1	282636659	ABONCWRWQBVCBZ-MRVPVSSYSA-N	301.293	1.933	50	20	DDGD	
CO[C@@H]1CCN(C(=O)NNC(=O)c2cccc(C)n2)[C@@H](C)C1	282672086	KQQHOJFXXQNGNM-NWDGAFQWSA-N	306.366	1.244	50	20	DDGD	
COCCN(C)NC(=O)[C@@]12CCC(=O)N1c1ccccc1S2	288588207	SDENEQNYQTUOBE-HNNXBMFYSA-N	321.402	1.225	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1cc(N2CCOCC2)ccn1	286400155	HKSUOBSUMXFICR-UHFFFAOYSA-N	317.324	1.209	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)nc1C	282718685	LJNBIPJERDXFFL-VDDIYKPWSA-N	322.365	1.218	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCn2cc(Cl)cn2)cc1	298789059	RNXNPIWXLOZVDT-UHFFFAOYSA-N	320.780	1.950	50	20	DDGD	
CCCNC(=O)NNC(=O)C(C)(C)COCc1ccccc1	800462693	IJLLZKDWYJISKZ-UHFFFAOYSA-N	307.394	1.970	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1ccccc1-n1cccn1	299497375	KWQGCSJFFYPEGK-UHFFFAOYSA-N	315.377	1.749	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	294200932	KYCJQYVHESVWFU-XUJVJEKNSA-N	320.389	1.589	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C12CCCN1CCC2)c1ccccc1	290706482	GJSRTIATMXTDRK-HNNXBMFYSA-N	315.417	1.956	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1nc2cccnc2s1	806892589	JPMBWIPCWAVWRC-UHFFFAOYSA-N	312.318	1.115	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCn2ccnc2C)cc1	299653903	QBQFVVRPPGMDNB-UHFFFAOYSA-N	315.377	1.398	50	20	DDGD	
CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)NNc1ccncn1	296784025	WAQWVDKOXSKFTR-RTXFEEFZSA-N	307.398	1.942	50	20	DDGD	
CO[C@@](C)(CNC(=O)NNC(=O)c1ccc(C#N)cc1)C1CC1	291629109	DCGLRODGAKLNRW-INIZCTEOSA-N	316.361	1.317	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)N=c1cc[nH]cc1)c1ccccc1	802033177	NKVGNEAZXIJBGA-CQSZACIVSA-N	314.345	1.434	50	20	DDGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCO[C@H](C(=O)O)C1	819090883	JRGOGCPFUAASOF-YFTXEMMHSA-N	303.274	1.245	50	20	DDGD	
Cc1nnc(CC(=O)NNC(=O)c2ccc3ccccc3c2)o1	813413727	AONZLUXRDIQYHO-UHFFFAOYSA-N	310.313	1.535	50	20	DDGD	
Cc1nc(C(=O)NNc2nc(-c3cccnc3)no2)c(C)o1	815546435	KREPBYLJFNKSRY-UHFFFAOYSA-N	300.278	1.493	50	20	DDGD	
CC(=NNC(=O)CSc1nc(C)cc(C)n1)c1c[nH]nc1C	814708517	IMKIIMHGIUIBBG-UHFFFAOYSA-N	318.406	1.757	50	20	DDGD	
COC(=O)C1CCC(=NNC(=O)COc2ccccc2O)CC1	814953184	LHLMJRYIMQVHIV-UHFFFAOYSA-N	320.345	1.606	50	20	DDGD	
CC(C)(C)[C@@H]1CC(=NNC(=O)[C@@H]2CCS(=O)(=O)C2)CS1	814781332	FSYOTROAOCVBDC-KOLCDFICSA-N	318.464	1.445	50	20	DDGD	
OCCN1CCN(Cc2ccc(OCCCCl)cc2)CC1	811453191	QDHVZFRLZVBVMN-UHFFFAOYSA-N	312.841	1.804	50	20	DDGD	
CN(C)CCOc1ccc(C=NNC(=O)Cc2cc[nH]n2)cc1	814957753	OITGEJRKLNKWOO-UHFFFAOYSA-N	315.377	1.043	50	20	DDGD	
CCc1ccc(C#CC(=O)NNC(=O)c2cccc(C)n2)cc1	816545512	SZNHXQHPWBHACZ-UHFFFAOYSA-N	307.353	1.765	50	20	DDGD	
Cn1ncc(C=NNC(=O)COc2ccc(C#N)cc2)c1Cl	814722296	TWAQTJULCXWRGS-UHFFFAOYSA-N	317.736	1.474	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	812446127	OHBBLCFKRIIWAB-UWVGGRQHSA-N	309.322	1.274	50	20	DDGD	
Cc1csc(CC(=O)NN=C2CC[C@H](CC(=O)O)[C@H]2C)n1	814779830	SHANUIRTHRKRJZ-NXEZZACHSA-N	309.391	1.987	50	20	DDGD	
O=C(NN=C1CCCc2n[nH]cc21)Nc1ccc(C(=O)O)cc1	814859747	YJORMWDWLMYUCW-UHFFFAOYSA-N	313.317	1.970	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)Cn2cnc3ccccc32)C1	819806352	ODBDCNJSIPKOPP-UHFFFAOYSA-N	314.345	1.482	50	20	DDGD	
CC(Cn1cccn1)=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1	814766423	JHCCIONQAYWMIC-AEGPPILISA-N	321.425	1.121	50	20	DDGD	
COc1cc(NNC(=O)NCc2cncn2C)ccc1Cl	812486118	DWONVDUNKUHFBX-UHFFFAOYSA-N	309.757	1.908	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@H]1CCC[C@@H]1Cc1ccccc1	829100025	HHXIMBYXOWAXJU-CVEARBPZSA-N	317.433	1.791	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1	826384065	FJIXOMOXRADQDT-UHFFFAOYSA-N	305.301	1.495	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCC[C@@H](O)c1ccccc1	826753505	GNXXSVVPFGWPHC-CQSZACIVSA-N	316.361	1.383	50	20	DDGD	
CO[C@@H](C)CNC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	821469828	QSHPRBUDLXYYGY-AAEUAGOBSA-N	323.393	1.436	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1nn(-c2ccccc2)c2c1CCC2	823983673	ZEAGBZFFRCAYOQ-GFCCVEGCSA-N	314.389	1.318	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)c1	496619397	YQSXFTOAVILDOX-MNOVXSKESA-N	306.366	1.746	50	20	DDGD	
CCS[C@H]1CCCC[C@H]1NCC(=O)NNC(=O)C(C)C	828970283	UQQJHKLRFSEYAN-NEPJUHHUSA-N	301.456	1.444	50	20	DDGD	
COc1cccc(OC)c1C(=O)NNC(=O)Cc1cccnc1	728982279	VQWMUZQMCWSLAT-UHFFFAOYSA-N	315.329	1.103	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)Cc1nc(-c2ccccc2)cs1	823916877	AHEIRRCGAXGOGO-LLVKDONJSA-N	305.403	1.696	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNc1nc(C)cc(C)n1	496140407	LDNNCXXZFMQEEE-KWQFWETISA-N	309.370	1.307	50	20	DDGD	
CCN(Cc1ccc(C)cc1)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	827308155	YSSUEROQSCELAV-HIFRSBDPSA-N	319.405	1.983	50	20	DDGD	
COc1cc(Br)cc(C(=O)NN(C)C[C@@H](C)O)c1	822557602	MTKHAGQSDDQARM-MRVPVSSYSA-N	317.183	1.415	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCc2cccc(Cl)c2)nn1	490695436	NEFCJOPRDVAMAE-IZZDOVSWSA-N	301.737	1.692	50	20	DDGD	
C=C(CBr)CN1CCC2(CC1)CNC(=O)N2C	823650195	SJLYHWNLYDTCGU-UHFFFAOYSA-N	302.216	1.427	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)N[C@@H]1CO[C@H](C)C1	828421247	OPRQPRVQDLGKRE-YPMHNXCESA-N	321.377	1.136	50	20	DDGD	
COC(=O)[C@@H]1CCCCCN1C(=O)/C(C#N)=C\c1cnn(C)c1	828890682	ANRHWSDGSDJEIF-MQJVFOOVSA-N	316.361	1.271	50	20	DDGD	
C[C@H](CNCc1ccc(B(O)O)cc1F)N(C)c1ccccc1	585016159	SRKZGJARXIFNKX-CYBMUJFWSA-N	316.185	1.120	50	20	DDGD	
CNc1nc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cs1	826091149	WUMHOTOAKVRRPN-UHFFFAOYSA-N	316.350	1.122	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCOC1CCCCC1	825872379	CPGXLMQPLHPDGW-YPMHNXCESA-N	313.398	1.091	50	20	DDGD	
COC[C@@H](NC(=O)NNc1cccnn1)c1cccc(OC)c1	821223321	XSNPNDOQASOFPP-CYBMUJFWSA-N	317.349	1.499	50	20	DDGD	
CCc1nnsc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	825771610	NCSKCJQVIPBESF-UHFFFAOYSA-N	316.350	1.038	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCSC[C@@H]2C2CC2)cn1	491006498	DLZVSAINPQFMMW-CNTYAEFGSA-N	302.403	1.681	50	20	DDGD	
OB(O)c1ccccc1CN[C@H]1CCO[C@H](c2ccccc2)C1	585037359	ZVJSBHAVTAKUOH-WMZOPIPTSA-N	311.190	1.376	50	20	DDGD	
CCc1ccc([C@H](O)CNC(=O)/C(C#N)=C/c2cnn(C)c2)cc1	491087268	WQDVAFFCTPKZMZ-QLGNDSFESA-N	324.384	1.739	50	20	DDGD	
COc1ccc(Cl)cc1/C=C/C(=O)N1CC[C@@H](B(O)O)C1	585068816	IDVWPQGUKBJEJX-XGQHYKRYSA-N	309.558	1.437	50	20	DDGD	
C=CC[C@@H](CO)CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	490812471	KYKISBGNDYLMMK-WXYNBALXSA-N	312.373	1.413	50	20	DDGD	
COC(=O)CCSCCNC(=O)[C@@]1(C)C[C@@H]1Br	906695171	MSTYOUGWVWKLJH-KWQFWETISA-N	324.240	1.572	50	20	DDGD	
Cc1ccc(-n2nc(C(=O)NN(C)[C@@H](C)CO)cc2C)cc1	823939086	FNBWBCXTQGTZID-ZDUSSCGKSA-N	302.378	1.447	50	20	DDGD	
CC(=O)N[C@H](CC(=O)NNC(=O)CC(C)C)c1cccs1	822235735	SVNQESJRQDFMDF-LLVKDONJSA-N	311.407	1.509	50	20	DDGD	
C[C@H]1[C@@H](C)N(C(=O)/C(C#N)=C/c2ccc(O)cc2)CC[S@]1=O	490663560	KEZLJLSMQPLBAX-NESWYMGGSA-N	318.398	1.667	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNc1ccc2c(=O)[nH]ccc2c1	908068275	APFYUNSPWVYNFI-GJZGRUSLSA-N	313.357	1.952	50	20	DDGD	
Cc1cc(C=NNC(=O)NCCNC(=O)OC(C)(C)C)no1	495992892	PMAFDNHYDFGBKX-UHFFFAOYSA-N	311.342	1.141	50	20	DDGD	
CCn1cc(C=NNC(=O)[C@H](C)Oc2ccccc2F)cn1	732527826	KRWIEWZEQUSQEP-NSHDSACASA-N	304.325	1.960	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NN=C1CCCOCC1	494469229	KJGYZKSZGNZHJS-UHFFFAOYSA-N	314.386	1.367	50	20	DDGD	
COCCOC1CN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C1	491011152	NZIQLTANXLTRHU-JYRVWZFOSA-N	302.330	1.173	50	20	DDGD	
Cn1nnc2cc(C=NNC(=O)c3cccc(C#N)c3)ccc21	737431116	CQBFYNPBDWZMFH-UHFFFAOYSA-N	304.313	1.604	50	20	DDGD	
COc1ccc2c(N3CC[C@@H](B(O)O)C3)c([N+](=O)[O-])cnc2c1	585078362	CPWOOXAYGVOQOC-SECBINFHSA-N	317.110	1.205	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cc(F)ccc1N1CCOCC1	730771828	UEAPPWNCKUSDNH-UHFFFAOYSA-N	323.368	1.469	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H]1c1ccsc1	584930368	WHHIPWKMNDMGLX-CQSZACIVSA-N	301.176	1.405	50	20	DDGD	
CC(=NNC(=O)Cc1ccc(F)cc1)c1c(C)nc(O)nc1O	839399939	BEJHVAKWNDZTHH-UHFFFAOYSA-N	318.308	1.418	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)COc1ccccc1O)C(C)(C)C	734533712	SLGFITVDNIPXSA-NSHDSACASA-N	323.393	1.784	50	20	DDGD	
COc1ccc(OCCNC(=O)NNC(=O)C2CCC2)cc1	732235048	DATMEQFIKHQBSW-UHFFFAOYSA-N	307.350	1.205	50	20	DDGD	
CCn1ccnc1[C@@H](C)NC(=O)NNc1nccc(OC)n1	838687920	NNEOAFMGUFVURT-SECBINFHSA-N	305.342	1.089	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1ccc(NC2CC2)nc1	734260748	KTGJAIWBRQJNIE-UHFFFAOYSA-N	304.741	1.856	50	20	DDGD	
Cn1cc([C@H](NCc2ccc(B(O)O)cc2F)C(C)(C)C)cn1	585027300	ZLOKPSOPGNTWSC-HNNXBMFYSA-N	319.189	1.116	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C2=COCCC2)o1	735938713	DLOWYGQZDIXKJR-UHFFFAOYSA-N	319.325	1.116	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)Cc1ncc(C)c(OC)c1C	831048227	JTZNGXRMRQQVNK-GFCCVEGCSA-N	322.409	1.085	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NN[C@H](C(=O)O)c1cccnc1	833118067	HOFNCGDYWIXZJM-AWEZNQCLSA-N	303.293	1.210	50	20	DDGD	
CSSCCNC(=O)N1C[C@H](C)N(CCO)[C@H](C)C1	838587851	NHFFPMDTXPKEFJ-PHIMTYICSA-N	307.485	1.094	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1nn(C)cc1C)c1ccccc1	839676319	KYAPHWBJIYSLIW-ZDUSSCGKSA-N	300.362	1.683	50	20	DDGD	
CSCC[C@@H](C)NC(=O)NNc1cccc(-c2nn[nH]n2)c1	737180160	CJPGUKQHTLRGTQ-SECBINFHSA-N	321.410	1.634	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(SC(F)(F)F)nc1	839182015	LABDHNWKAKYFNQ-UHFFFAOYSA-N	324.284	1.493	50	20	DDGD	
CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccc(B(O)O)cc2)C1	584955192	SFXOXXYWSWXMKJ-KGLIPLIRSA-N	307.224	1.113	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCCC12CCC2	839584454	SYTARPYNDJRTRE-UHFFFAOYSA-N	315.417	1.703	50	20	DDGD	
CC(C)OCc1cccc(CNCc2ccccc2B(O)O)c1	585016814	AFLSIWYEHXUKBW-UHFFFAOYSA-N	313.206	1.581	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc(N)cc1	916542171	UYNDKIBOHLOGNK-INIZCTEOSA-N	311.341	1.949	50	20	DDGD	
C[C@H]1CCCCN1C(=O)COC(=O)/C(C#N)=C/c1cnn(C)c1	837969917	VBLKEJBEQWBXAX-FUEWVNAISA-N	316.361	1.271	50	20	DDGD	
COc1cc(F)cc(C[C@@H](C)NC(=O)NNC(=O)C(C)C)c1	836671118	ICLVEHJKRKUXPU-SNVBAGLBSA-N	311.357	1.752	50	20	DDGD	
CO[C@@H]1CCN(C(=O)NNC(=O)c2ccc(C#N)cc2)C[C@H]1C	836266625	ZTUWLHGERGTJKQ-BXUZGUMPSA-N	316.361	1.269	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1csc(-c2ccoc2)n1	833250105	CEMMAEVWJTXJBP-NSHDSACASA-N	321.358	1.733	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CCN2CCC[C@@H]2C1	916573902	SGPHYYQUNFUOSV-ZIAGYGMSSA-N	316.405	1.566	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2CCN(CC(F)F)C2)C[C@@H]1Br	910942021	RFSJRVBICFBMNG-FYBVGQRMSA-N	311.170	1.616	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cccc3c2OCCO3)n1	747979900	KFHPHCLWIYWTKZ-UHFFFAOYSA-N	320.736	1.967	50	20	DDGD	
Cc1ccc(N2CCC(C(=O)NNC(=O)CC(C)C)CC2)nc1	919809450	WLSYUTULPDAWJI-UHFFFAOYSA-N	318.421	1.800	50	20	DDGD	
CCCNc1nnc(SCC(=O)NNC(=O)C2CC2)s1	742450554	BMEBAPHQQLCTJP-UHFFFAOYSA-N	315.424	1.010	50	20	DDGD	
Cc1ccc(S(N)(=O)=O)cc1C(=O)NNc1ccccc1F	748056340	VDWBYJHOKNXKFV-UHFFFAOYSA-N	323.349	1.538	50	20	DDGD	
COCCn1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C)c2)nn1	841016073	DDKDRLVQJDJPER-UHFFFAOYSA-N	306.278	1.360	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)CCC[C@]2(C)NC(=O)NC2=O)c1	748787202	UADCMEDMDRMMGI-HNNXBMFYSA-N	322.340	1.346	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1CCCN1C(=O)C1CC1	843750130	IDPRMRWFMOTQGA-ZDUSSCGKSA-N	318.333	1.439	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CCC[C@H](N)C2)c1F	841980874	IXBRWVKYAYEOHF-VHSXEESVSA-N	324.356	1.508	50	20	DDGD	
CC(C)COc1cccc(NC(=O)NNC(=O)CCCN)c1	841058847	VIMQKPBLTRLABT-UHFFFAOYSA-N	308.382	1.613	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1ccc(OC)cc1OC	748252097	AZXFHZVQGJGJOT-GFCCVEGCSA-N	324.377	1.596	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](C)c1ccccc1	746371106	USNDUEACMQZRJA-ZYHUDNBSSA-N	311.407	1.220	50	20	DDGD	
N#CSCCCNS(=O)(=O)Cc1ccc(Cl)nc1	916972638	QMMNYHGDUQCHHR-UHFFFAOYSA-N	305.812	1.759	50	20	DDGD	
NS(=O)(=O)CCCCCC(=O)NNc1cccc(F)c1	845854890	NDXJVSWBAABRBI-UHFFFAOYSA-N	303.359	1.118	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1cn(-c2ccccc2)nn1	842549249	IPDPEQDWTCQFSF-TZMCWYRMSA-N	313.361	1.533	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C\c1cc(F)c(OC)cc1OC	844275434	WYOQOQZMMPEOOE-IUIMMGEKSA-N	322.336	1.901	50	20	DDGD	
COc1ccc(S(=O)(=O)NCCCSC#N)cc1F	916971402	DXSSJULPHUGDHH-UHFFFAOYSA-N	304.368	1.717	50	20	DDGD	
CC[C@H](Cc1ccccc1)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843652818	VBMPBYJLJSJXHF-CFVMTHIKSA-N	304.390	1.828	50	20	DDGD	
Cc1ccc([C@H](C)[C@H](O)C(=O)NNC(=O)c2ccccc2)cc1	748011456	HVIIFLWZJHAMDW-BBRMVZONSA-N	312.369	1.921	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@H]2CC[C@H](CN)CC2)n1	841994579	HCQYNFVHZMGFFQ-HAQNSBGRSA-N	322.413	1.185	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NN=Cc2ncnn2C)c1C	842520565	MAAJPVAGNNWDQF-GFCCVEGCSA-N	301.350	1.350	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)C(C)(C)CO2	843653066	DDXLOGRVYVVOOD-JQWIXIFHSA-N	318.373	1.543	50	20	DDGD	
CN[C@@H]1CCN(C(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)C1	846662484	SNFODODJZVBWTO-SBFPOUOMSA-N	301.228	1.760	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2[C@H]3CCC[C@H]32)cc1C	748524750	XCAZOTHEPOUELB-FOLVSLTJSA-N	302.374	1.876	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)c1nnc(O)c2ccccc12	746822435	ZOZHONQOGKLPDR-JTQLQIEISA-N	320.374	1.238	50	20	DDGD	
O=C(NC[C@H]1CCCCN1)NNC(=O)c1cc2c(s1)CCC2	841921428	JBXPNANLUVXJJA-LLVKDONJSA-N	322.434	1.323	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CCc1ccccc1)c1cnn(C)c1	749939221	VZTCLJMROGKMNS-LBPRGKRZSA-N	300.362	1.304	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	843639368	HVPGJUWUUGMDQP-YJNCBDGFSA-N	319.317	1.180	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCC(C)CC1)c1ccn(C)n1	841614589	MYHOXUXNVBNMBN-CYBMUJFWSA-N	305.426	1.628	50	20	DDGD	
O=C(NNC(=O)c1cc2cnccc2[nH]1)NC1CCCCC1	929246557	QYLPDAUPABRMRA-UHFFFAOYSA-N	301.350	1.840	50	20	DDGD	
O=C(CSc1ccccc1[N+](=O)[O-])NNC1=N[C@H]2C=C[C@H]1C2	842566874	NRNXKAPEXVJMKZ-UWVGGRQHSA-N	318.358	1.665	50	20	DDGD	
CCC(N)(CC)CNC(=O)NNC(=O)Nc1ccc(OC)cc1	841955343	ZRUJRSITUSKWCV-UHFFFAOYSA-N	323.397	1.548	50	20	DDGD	
COc1ccc(OC)c(NC(=S)NNC(=O)CC2CC2)c1	840763922	LRONSZZJCRZRFS-UHFFFAOYSA-N	309.391	1.822	50	20	DDGD	
C[C@H](CSCc1ccccc1)C(=O)NNC(=O)c1cc[nH]n1	855357605	MTQXBCUJNYDIJA-LLVKDONJSA-N	318.402	1.740	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)COc2ccccc2F)cn1	757734846	XDIBEVKKXBJBDR-UHFFFAOYSA-N	318.308	1.761	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCCN1CCCC1=O	754547709	VQPLSFVDRLPTDZ-JLHYYAGUSA-N	300.314	1.465	50	20	DDGD	
CNC(=S)N(C)NC(=O)Cc1nc(-c2ccco2)oc1C	854926301	VJQPJECRPVVNIR-UHFFFAOYSA-N	308.363	1.253	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccn(CC(F)F)n1)C1CC1	855097633	VFTZIMHNDFCBBY-ZETCQYMHSA-N	317.365	1.056	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NN=c2cc[nH]cc2Cl)C1	857861819	VHYVTWMQMTUZAO-PSASIEDQSA-N	305.769	1.689	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCC[C@@H](C)CO	759888913	HSBPSXRDSMXDKS-SNVBAGLBSA-N	301.818	1.877	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1Cl	858778385	GZPGKHYCVULADE-UHFFFAOYSA-N	314.729	1.992	50	20	DDGD	
CCCNC(=O)CCC(=O)NC[C@@]1(C)C[C@@H]1Br	857396393	BRYPPWSYFVDUDG-JOYOIKCWSA-N	305.216	1.583	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cccnc2)c(C)n1	757683066	OEVBIMDAFMGUQS-UHFFFAOYSA-N	301.306	1.260	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccc(=O)n(-c2cccc(F)c2)c1	751297819	OXCNWEKSSNVVDR-UHFFFAOYSA-N	315.304	1.148	50	20	DDGD	
CC(C)CN1CCN(C(=O)NNC(=O)C2CCCC2)[C@@H](C)C1=O	753337775	YPMUYILLIFEHEK-LBPRGKRZSA-N	324.425	1.106	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1ccccc1C)[C@@H]1CCCO1	756049659	FJRPHDOBDRVRHU-KBPBESRZSA-N	305.378	1.897	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN[C@H](c1ccncc1)C1CC1	934695481	OEQHQUYMUXBFAO-AWEZNQCLSA-N	304.394	1.316	50	20	DDGD	
C[C@@]1(CNC(=O)N2CCC[C@@H]3COC[C@@H]32)C[C@@H]1Br	856892298	DPJLXXUCRXCLSP-BLFANLJRSA-N	317.227	1.980	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)COc2ccc(F)cc2)cn1	757733838	PDFMZKIEBJNWBS-UHFFFAOYSA-N	318.308	1.761	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CC[C@@]2(C)CCC(=O)N2)c1	753424436	CJIHQQGIDGKAHT-OAHLLOKOSA-N	309.341	1.726	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@H]2CCn3cncc3C2)o1	750856263	GWOLNWNOKUNVAO-JTQLQIEISA-N	314.349	1.572	50	20	DDGD	
COc1ccc(OCC(=O)NN=C2C[C@@H](C)N(C3CC3)C2)cc1	753954476	CJSXLHPIHCRIKF-GFCCVEGCSA-N	317.389	1.803	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C1CCC1)n1ccc(C(F)(F)F)n1	865702528	ZXKFAFSZXCNFBM-ZETCQYMHSA-N	304.272	1.410	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCC(=O)N1)C12CC3CC(CC(C3)C1)C2	863146390	QZKLHXIDZZWXLM-ZZTKBFGJSA-N	303.406	1.974	50	20	DDGD	
CN(NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)C1CC1	862038599	XNEORFKMAMPEPM-UHFFFAOYSA-N	319.296	1.659	50	20	DDGD	
C[C@H](OCc1ccncc1)C(=O)NNC(=O)CC(F)(F)F	869020646	MIQAFHFAKQZGSA-QMMMGPOBSA-N	305.256	1.087	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)Cc1cc(C)[nH]n1)c1ccccc1	869012383	OUMYMYHQDGABQE-HNNXBMFYSA-N	316.361	1.186	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(NC(C)=O)c(F)c1	765907815	ZPOBHFDLAVXTRX-UHFFFAOYSA-N	319.296	1.340	50	20	DDGD	
C[C@H](NNC(=O)c1cc(Br)cn1C)C(F)(F)F	862306013	ASRLTYPZOCZUTO-YFKPBYRVSA-N	314.105	1.973	50	20	DDGD	
O=C(C[C@H]1CCOC1)NNC(=O)c1cc(-c2cccs2)[nH]n1	765569428	IUYZTSHOECJEFL-SECBINFHSA-N	320.374	1.326	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCc1ccccc1C(F)(F)F	867672094	BBFBKHZLVDEWSH-UHFFFAOYSA-N	318.295	1.556	50	20	DDGD	
C=CCSc1ccccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1	862460758	JABGUKLEYDKTSK-LLVKDONJSA-N	319.386	1.004	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Nc2cccc(C)n2)c1O	765272467	YXXMMJGXSFWYCN-UHFFFAOYSA-N	316.317	1.571	50	20	DDGD	
CCCn1c(C=NNC(=O)[C@@H]2CCC(=O)N2)nc2ccccc21	863145839	QHPBBQZAHHTFSY-LBPRGKRZSA-N	313.361	1.175	50	20	DDGD	
CN(C)CCn1nccc1NC(=O)NNc1cc(F)ccc1F	931568549	YGDBLDKIGDOIAL-UHFFFAOYSA-N	324.335	1.872	50	20	DDGD	
CCC(=O)c1ccc(NC(=O)C(=O)NNC(=O)C(C)C)cc1	861804894	VBGULQGQGHMVSP-UHFFFAOYSA-N	305.334	1.021	50	20	DDGD	
CC[C@](C)(O)C(=O)NNC(=S)Nc1ccc(OC)c(F)c1	935795292	KEXKLCJNGDKDFE-ZDUSSCGKSA-N	315.370	1.313	50	20	DDGD	
Cc1ccnc(NNC(=O)c2cnc(C3(C)OCCO3)s2)c1	863895575	YFUXIYFJRBHCRG-UHFFFAOYSA-N	320.374	1.823	50	20	DDGD	
CCCOc1cccnc1C(=O)NNc1cc(Cl)nc(N)n1	760492199	NGAWQCBWUZZPHE-UHFFFAOYSA-N	322.756	1.653	50	20	DDGD	
N#Cc1ccc(NCC(=O)NNCC(F)(F)C(F)(F)F)nc1	863096956	AOIMUPAOFFBDLW-UHFFFAOYSA-N	323.225	1.184	50	20	DDGD	
O=C(Cc1cccnc1Cl)NNC(=O)NC1CCCCC1	864460851	HYKFTVBUQVIXFT-UHFFFAOYSA-N	310.785	1.941	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1ccc(-n2ccnc2)cc1	767395940	HLJSFVYYOAWOOO-UHFFFAOYSA-N	322.372	1.987	50	20	DDGD	
C=C(C)COCCNC(=O)NNC(=O)Cc1ccccc1OC	762068522	SSJPJAPGZWZYIU-UHFFFAOYSA-N	321.377	1.161	50	20	DDGD	
CCOC(=O)C1(S(=O)(=O)NCC(Cl)Cl)CCC1	867468431	GHJQOULSWLOOHK-UHFFFAOYSA-N	304.195	1.195	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cccc(N2CCOCC2)c1	878385151	MTTZFXBNUCROSF-UHFFFAOYSA-N	308.338	1.258	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(C(=O)OC)c(OC)c1	879452127	XEAVVGADNWXWEU-UHFFFAOYSA-N	311.338	1.097	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2nc3ccccc3[nH]2)CCC1	870212467	NTRBNLYAQHHELG-UHFFFAOYSA-N	302.334	1.739	50	20	DDGD	
O=C(NCC(Cl)Cl)Nc1cnn(C[C@@H]2CCCO2)c1	878798027	IPEKBMTYHGSURK-VIFPVBQESA-N	307.181	1.987	50	20	DDGD	
COCC(=NNC(=O)c1ccc(C(=O)O)cc1)C1CCOCC1	872410708	NQHQHRUSRDBXGL-UHFFFAOYSA-N	320.345	1.544	50	20	DDGD	
COC(=O)c1ccccc1CC(=O)NNC(=O)c1ccc(C)o1	775770685	JXLYPCYCRSNWLS-UHFFFAOYSA-N	316.313	1.378	50	20	DDGD	
COCCC[C@H](C)C(=O)OCC(=O)NNC(=O)c1ccccc1	778195870	NYNMDZHOSGNSAK-LBPRGKRZSA-N	322.361	1.054	50	20	DDGD	
CN(C)C1(C)CCC(=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)CC1	872388818	YUUQGEBYBXTZCX-CKDQBVIESA-N	322.453	1.216	50	20	DDGD	
C#CCOCCC(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	772968360	RSKCGJBXILNXQF-LLVKDONJSA-N	324.764	1.295	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)C1	776300273	GWWYAAWDOTWPSV-CMPLNLGQSA-N	324.402	1.287	50	20	DDGD	
N#CSCCCNC(=O)C[C@@H](NC(N)=O)c1cccs1	773587518	XZPHPFATMLMJFL-SECBINFHSA-N	312.420	1.568	50	20	DDGD	
COc1ccc2[nH]c(C)c(C(=O)NNC(=O)c3ccc[nH]3)c2c1	1116338567	YVAWVOSZTPEHDB-UHFFFAOYSA-N	312.329	1.888	50	20	DDGD	
COCCOc1ccc(CNC(=O)NN(C)C(=O)OC)cc1	875081216	CWJSIZZEUJMGCL-UHFFFAOYSA-N	311.338	1.124	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1ccco1	778435956	CCXRYCHMVNJIFV-SECBINFHSA-N	311.338	1.055	50	20	DDGD	
CCCC(=NNC(=O)NCC(=O)OC)c1cccc([N+](=O)[O-])c1	779821514	YTNZKGSZQHOBIX-UHFFFAOYSA-N	322.321	1.571	50	20	DDGD	
Cc1ccc(C[C@H](C)C(=O)NNc2nnc(C)c(O)n2)cc1	779159697	AAJVIJNAMMWMPH-JTQLQIEISA-N	301.350	1.516	50	20	DDGD	
C[C@@H]1CCCCN1[C@H](C)CNC(=O)NNc1ccc(C#N)cn1	887704960	BAFJBBSSMSLLNV-CHWSQXEVSA-N	316.409	1.842	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)[C@H](CO)NC(=O)C(C)C	885127236	OOXZSGKHVWZQQO-LBPRGKRZSA-N	313.785	1.225	50	20	DDGD	
C[C@H]1CN2CCN1C[C@H]2C(=O)NNc1cccc(F)c1Cl	1123839739	NOQDVGYBFLAAAU-CABZTGNLSA-N	312.776	1.311	50	20	DDGD	
O=C(CCC(=O)c1ccccc1)NNC(=O)C1CCOCC1	883059302	SFDVRHZWPCEEFE-UHFFFAOYSA-N	304.346	1.224	50	20	DDGD	
CC(C)CN1CC[C@@H](CNC(=O)NNc2ccc(C#N)cn2)C1	888557293	JLIPEFJULZQYLC-AWEZNQCLSA-N	316.409	1.557	50	20	DDGD	
O=C(NN=Cc1ccc2cnccc2c1)[C@H]1CCS(=O)(=O)C1	782185411	QAEIFGNHXOJUHP-AWEZNQCLSA-N	317.370	1.120	50	20	DDGD	
COc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)c2cccnn2)cc1	882056184	MBJTYLRNNLKBOW-QWHCGFSZSA-N	312.329	1.050	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NNc1ccc(F)cc1Cl	885135431	CSCRYNMNOXCECF-UHFFFAOYSA-N	308.762	1.747	50	20	DDGD	
O=S(=O)(CCCCCl)NC[C@@H](O)COc1ccccc1	780785835	CSWPHNZTVVMQRL-GFCCVEGCSA-N	321.826	1.365	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(-n2ccnc2)nn1)c1ccccc1	788175556	UXKLRWWMAZNWCL-LBPRGKRZSA-N	308.345	1.909	50	20	DDGD	
CC(C)NC(=O)CN(C)C(=O)[C@H](Br)C(C)(C)C	781070444	LNPHZPVDBRQTHS-JTQLQIEISA-N	307.232	1.779	50	20	DDGD	
COC1(CNC(=O)NNC(=O)c2ccc[nH]2)CCCCCC1	898941953	LOPRLAILHCUOMU-UHFFFAOYSA-N	308.382	1.698	50	20	DDGD	
Cc1sc(CC(=O)NNC(=O)c2cccn2C)nc1C(C)C	789880152	JRUCLILRQYDTRE-UHFFFAOYSA-N	320.418	1.917	50	20	DDGD	
CCc1ncc(C(=O)NNc2ccc(-n3ccnc3)nn2)s1	788177209	CVISQCIEPCPWCU-UHFFFAOYSA-N	315.362	1.438	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@H](C(=O)NNc2ncncc2Cl)C1	781837281	YAKPWQSZUIGJDQ-DTWKUNHWSA-N	312.757	1.553	50	20	DDGD	
COc1ccc(F)c(C(=O)NNC(=O)CC(F)(F)F)c1OC	788583575	STGKITXGPGMEMN-UHFFFAOYSA-N	324.230	1.556	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)CNc1ccc(OC)cc1	794907108	OUZKXNMPDCTXBT-XHDPSFHLSA-N	323.393	1.316	50	20	DDGD	
Cc1nn(-c2ccccn2)c(Cl)c1C=NNC(=O)N(C)C	794903823	PUKFYSTUIVKHPC-UHFFFAOYSA-N	306.757	1.834	50	20	DDGD	
Cc1cnc2c(cnn2CC(=O)NNc2cc(C)nc(C)n2)c1	895153646	JAHRXXMDSWCYKO-UHFFFAOYSA-N	311.349	1.290	50	20	DDGD	
COc1cccc(CNS(=O)(=O)CBr)c1OC	272812935	NKZYLDZJDYKSNE-UHFFFAOYSA-N	324.196	1.476	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)C(C)(C)C)NC(=O)OC(C)(C)C	792239173	AGPYCXSOTFFHCB-VIFPVBQESA-N	316.402	1.276	50	20	DDGD	
CC(C)(C#N)c1ccc(C(=O)NNC(=O)c2ccccn2)cc1	792761799	HMNOTOFMVZYHPR-UHFFFAOYSA-N	308.341	1.958	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42	792854346	WTYWWQGIUWAIMK-XNIWICEBSA-N	311.385	1.180	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2ccc(O[C@@H](C)C(=O)O)cc2)n[nH]1	794920457	LSSCRINTDDZIRA-JTQLQIEISA-N	316.317	1.334	50	20	DDGD	
CC(C)[C@@H]1CCCC(=NNC(=O)Cc2cc(O)nc(O)n2)C1	794514591	DLQGPWHMSFJZHE-SNVBAGLBSA-N	306.366	1.749	50	20	DDGD	
C[Si](C)(C)c1ccc(CC(=O)NNC(=O)c2ccc[nH]2)cc1	798152753	AXEQSVZTUZZRBA-UHFFFAOYSA-N	315.449	1.564	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2cnn(CC(F)F)c2)n1	797629234	AASADWKWNXNQFO-UHFFFAOYSA-N	324.291	1.318	50	20	DDGD	
O=C(c1cc(F)ccc1Br)N1CC[C@@H](B(O)O)C1	585070317	YSRKTEQBPORRHM-SSDOTTSWSA-N	315.935	1.277	50	20	DDGD	
CCC(=NNC(=O)CCN1CCC(C)CC1)c1cnn(C)c1	1319065477	OQWYIXOYRNCYSQ-UHFFFAOYSA-N	305.426	1.772	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1cc(C)ccc1OC(F)F	1318907820	AGETYCILEGBEPD-UHFFFAOYSA-N	300.261	1.610	50	20	DDGD	
CC(C)(C=NNC(=O)c1cc(Cl)ccc1O)S(C)(=O)=O	1319492190	XMKCRVCUYVWHLM-UHFFFAOYSA-N	318.782	1.584	50	20	DDGD	
O=C(O)CCCCNC(=O)NNC(=O)c1ccccc1Cl	1329774759	NGMRWOYATICVDE-UHFFFAOYSA-N	313.741	1.539	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cc(N2CCOC2=O)ccc1F	1323672166	MAQZKXQMKYAZON-UHFFFAOYSA-N	324.312	1.591	50	20	DDGD	
O=C(NNC(=O)c1ncoc1[C@H]1CCCO1)c1ccccc1	1328407394	WYUDTSAVVKOZMY-LLVKDONJSA-N	301.302	1.601	50	20	DDGD	
CC(CCCCNC(=O)OC(C)(C)C)=NNC(=O)CCO	1323947743	AJIKLONWWORSSH-UHFFFAOYSA-N	301.387	1.556	50	20	DDGD	
O=C(CC1CC(F)(F)C1)NNC(=O)c1n[nH]c2c1CCCC2	1324368231	HIKQBPILJZGOQE-UHFFFAOYSA-N	312.320	1.485	50	20	DDGD	
Cc1nc(Cl)ccc1NC(=O)C(=O)NNc1ncncc1F	1324529264	RMOPSTYHBCUKAL-UHFFFAOYSA-N	324.703	1.054	50	20	DDGD	
CCCc1n[nH]cc1C(=O)NNC(=O)c1ccccc1OC	1320504547	BVCAJLRGKAJHMZ-UHFFFAOYSA-N	302.334	1.446	50	20	DDGD	
Cc1ccc(C(=O)C(=O)NNc2nncc(N)c2Cl)cc1	1324009880	ZVGSSUIPHZIDDR-UHFFFAOYSA-N	305.725	1.347	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@@H]2CCCCCN2)C[C@@H]1Br	1335611097	UPFIESCGGJQMMG-GMXVVIOVSA-N	318.259	1.991	50	20	DDGD	
CC(C)[C@@H](F)C(=O)NNC(=O)c1cncn1-c1ccccc1	1338680324	SKLLPQAHQDXQNS-CYBMUJFWSA-N	304.325	1.627	50	20	DDGD	
C[C@]1(Cn2nnnc2N2CCC=C(F)C2)C[C@@H]1Br	1335162737	YCNQMUDYEJILKN-GXSJLCMTSA-N	316.178	1.910	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NNC(=O)CC(C)(C)C)c(C)c1	1254706212	XYGZCKFGQWWWDE-UHFFFAOYSA-N	320.393	1.944	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1csc(Nc2ccccn2)n1	1348955886	RKVRMCITTPQVKH-VIFPVBQESA-N	307.379	1.239	50	20	DDGD	
CO[C@@](C)(C(=O)NNc1nncc(N)c1Cl)c1ccccc1	1340556793	YICLEDSTUWOYKO-CQSZACIVSA-N	321.768	1.717	50	20	DDGD	
C#CCOCCN(C)C(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	1348891121	JRDZAJFJSLWBQB-DHDCSXOGSA-N	310.357	1.220	50	20	DDGD	
CN1C[C@@H](NC(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)CC1=O	1353203959	RRDWPSWHJHFCDK-QISWUMQESA-N	315.211	1.287	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)C1(Oc2ccccc2)CC1)C1CC1	1351044208	KOQUMNZQDPPGRF-NSHDSACASA-N	319.430	1.892	50	20	DDGD	
O=C(C[C@H](O)Cc1ccccc1)NNc1ccccc1C(=O)O	1601242225	GJNHYEVIEPFDFO-CYBMUJFWSA-N	314.341	1.822	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CCO[C@H]2C2CC2)cc1F	1608904052	FKJJJNAAYJTGBY-YPMHNXCESA-N	308.309	1.782	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNc2cccc(C(=O)O)c2)C1	1604852488	FZJGOEMMLBJGAR-NSHDSACASA-N	305.334	1.086	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cccn1[C@@H](C)C(=O)O	1607960611	MSJYYXHVHIFREW-QMMMGPOBSA-N	321.362	1.245	50	20	DDGD	
CC(C)c1ocnc1C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1603424788	LJIYJGJVRCIQCB-UHFFFAOYSA-N	314.309	1.130	50	20	DDGD	
CCCCNC(=O)NN=Cc1ccc(-c2nn[nH]n2)c(C)c1	1609210656	HYCIQQSRBIETRL-UHFFFAOYSA-N	301.354	1.608	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1cnn(C2CC2)c1	1607141739	OQPSSWVRZGCMLU-UHFFFAOYSA-N	316.317	1.682	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1coc(C2CC2)n1	1606861525	IZBSYYNGRBHDCH-UHFFFAOYSA-N	311.305	1.489	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@@H]1C(=O)NN=CCC(F)(F)F	1549313243	DYRCQQAQVJTIKY-ONGXEEELSA-N	318.299	1.942	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NC[C@@H]1CCC2(CNC2)O1	1578265694	GSFVWYSWGFMNAU-AWEZNQCLSA-N	318.421	1.705	50	20	DDGD	
C=CC[C@@]1(C(=O)NNc2cc(O)nc3ncccc23)CCCN1	1574897161	GUNPMNDIRXHVBQ-INIZCTEOSA-N	313.361	1.477	50	20	DDGD	
C[C@H]1OC(C)(C)N[C@H]1C(=O)NNc1nc2ccncc2s1	1576895644	DJEQJHWQVWUAAX-GMSGAONNSA-N	307.379	1.247	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1C(=O)NNc1cccc(F)c1C(=O)O	1588599523	UQFANEFPSBOZSS-NOZJJQNGSA-N	308.309	1.948	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)n1	1589728563	FFPBSOHYTIBODP-MNOVXSKESA-N	321.381	1.267	50	20	DDGD	
CC(C)O[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1844327692	DNXRISAIBJLKST-QWRGUYRKSA-N	320.792	1.538	50	20	DDGD	
CO[C@@H](C(=O)O)C(=O)NNc1ccc(F)cc1Br	1593911013	FTIKKWBZMNVKEU-MRVPVSSYSA-N	321.102	1.131	50	20	DDGD	
COC/C(C)=C\C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1591371198	MQJIJXSBJKKZKG-YVMONPNESA-N	322.756	1.556	50	20	DDGD	
O=C(Cc1ccc(-c2nn[nH]n2)cc1)NCC(Cl)Cl	1592912791	YFVBJXASKJYZEF-UHFFFAOYSA-N	300.149	1.329	50	20	DDGD	
CC(C)/C=C/C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1	1841354228	OWGXEJPNHGNAIL-ITKZLYELSA-N	314.813	1.002	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](C(=O)O)[C@@H]1CCC[C@@H](OC)C1	1596864289	UTONJVUHZWSXIM-QSZZMARXSA-N	310.350	1.205	50	20	DDGD	
CO[C@]1(C(=O)NNc2ccc(C(=O)O)c(F)c2)CCSC1	1599063642	SNBDSLFIZQSVIZ-CYBMUJFWSA-N	314.338	1.489	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@]1(C(=O)O)CC=CCC1	1594418369	YGZMTHCBZPIWJT-INIZCTEOSA-N	317.345	1.959	50	20	DDGD	
CN(C)N(C(=O)[C@@H]1C[C@@H]2C[C@@H]2C1)c1nc(CC(=O)O)cs1	1598257099	GIPBPYLUGPKFOY-MYJAWHEDSA-N	309.391	1.626	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1cc(C(=O)O)cn1C	1776039137	PQFPMQKRKRXWNG-UHFFFAOYSA-N	315.329	1.425	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCC(=O)Nc1cccc2cccnc12	158511983	FVWSVMNYDFGAPD-RAXLEYEMSA-N	324.340	1.733	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNc1cccc(C#N)c1	152386237	YNJWZXOLSKOFDP-UHFFFAOYSA-N	302.378	1.944	50	20	DDGD	
CC(C)NC(=O)c1ccc(NC(=O)NNc2ncccn2)cc1	157275128	PVROAJJTKDIEPH-UHFFFAOYSA-N	314.349	1.763	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)Cn2cc([N+](=O)[O-])nc2C)c1	159235631	DDZOKDIRYXHGAK-UHFFFAOYSA-N	303.322	1.860	50	20	DDGD	
COc1ccc(NNC(=O)c2cccc(-c3ncn[nH]3)c2)nc1	159345696	YHBKMBBVJJXTJV-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
O=S(=O)(c1ccc(CCl)cc1)N1CCn2ncnc2C1	914388649	ZMKLQFBJEJKWIB-UHFFFAOYSA-N	312.782	1.221	50	20	DDGD	
O=S(=O)(CCCCl)N1CCN(Cc2cccnc2)CC1	37842774	UPVGATHTJMLMHT-UHFFFAOYSA-N	317.842	1.158	50	20	DDGD	
C[C@H](C(=O)N(C)NC(=O)OCc1ccccc1)n1cncn1	862287001	LWSSNSUYURJDGO-LLVKDONJSA-N	303.322	1.139	50	20	DDGD	
Cc1cc(C(=O)NCCSSCCC(=O)O)n(C)n1	2088599298	CBUSXOMQMJDKDB-UHFFFAOYSA-N	303.409	1.314	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1cccc([N+](=O)[O-])c1	485092	ZODKJCCVSCVLDK-UHFFFAOYSA-N	313.313	1.989	50	20	DDGD	
Cc1cccc(C)c1OCC(=O)NNC(=S)NC(C)(C)C	8302139	FLGXCYRSKCKUEC-UHFFFAOYSA-N	309.435	1.976	50	20	DDGD	
CCCN1CC[C@H](CNC(=O)NNC(=O)c2ccccc2C)C1	54806137	JRRQXPYSDXCEQJ-CQSZACIVSA-N	318.421	1.671	50	20	DDGD	
CC(C)N1CCC[C@H](CNC(=O)NNC(=O)CC(C)(C)C)C1	105276500	UQVPQRRFJBAGLU-CYBMUJFWSA-N	312.458	1.873	50	20	DDGD	
O=C(NNc1cnccn1)c1cccc(CN2CCOCC2)c1	114882412	NDOFWMSHFKLUJT-UHFFFAOYSA-N	313.361	1.066	50	20	DDGD	
Cc1noc2ncc(C(=O)NNC(=O)NC3CCCC3)cc12	65919878	FQMQCSZDVVYGFM-UHFFFAOYSA-N	303.322	1.418	50	20	DDGD	
CCN(CC)CC(=O)NNC(=O)Cc1cccc2ccccc12	69984863	PMGYBDNXSKZNAA-UHFFFAOYSA-N	313.401	1.872	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1nc(Br)cs1	119959480	PFOWYESZPPFDTE-UHFFFAOYSA-N	321.200	1.650	50	20	DDGD	
O=C(Cc1ccccc1OC(F)F)NNC(=O)c1ccncc1	118302962	PNUJOHUYPLCFLX-UHFFFAOYSA-N	321.283	1.687	50	20	DDGD	
C=CC[C@H](C)NC(=O)NNC(=O)c1c(C)nc2ccccn12	116934553	ARAWDQGLUWRVDE-JTQLQIEISA-N	301.350	1.551	50	20	DDGD	
CCCCc1ccc(C(=O)NNc2nnc(C)c(O)n2)cc1	23311318	FTNYGWZVHPRTHS-UHFFFAOYSA-N	301.350	1.985	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)c1cccnc1	27764322	LENZBDLJZMRHGU-UHFFFAOYSA-N	316.273	1.073	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnn2c(C)cc(C)nc12	68385275	SCJKABOKPVWTBX-UHFFFAOYSA-N	304.354	1.090	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2ccc(C)nn2)C12CCC2	175662301	ACVANJLUHNRQMQ-VXGBXAGGSA-N	305.382	1.759	50	20	DDGD	
NC(=O)c1cccc(NC(=O)NNc2c(F)cccc2F)n1	119636846	GSIIQMPCCLEQAV-UHFFFAOYSA-N	307.260	1.607	50	20	DDGD	
COC[C@@H](C)CNC(=O)NNC(=O)c1ccc(Cl)cc1F	177482309	KYENYIYEFUASKO-QMMMGPOBSA-N	317.748	1.706	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C	67237995	PWYJBKOJTWEJNJ-JTQLQIEISA-N	314.386	1.126	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2CCC[C@H](F)C2)cc1	1261451280	URUDRMYOHPYNJX-RYUDHWBXSA-N	309.341	1.920	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cccc(Cl)c1[N+](=O)[O-]	175068076	QJNRMVAIPFUFIL-UHFFFAOYSA-N	322.708	1.662	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)Cc2cnn(C)c2)cc1C	171324797	FYWPVMOUIKADDB-UHFFFAOYSA-N	317.418	1.597	50	20	DDGD	
CC(C)(C)OC(=O)NC1(C(=O)NNc2ccccn2)CCC1	309753437	WMNWPZXOEDYZKK-UHFFFAOYSA-N	306.366	1.972	50	20	DDGD	
O=C(NCc1cccc([N+](=O)[O-])c1)NNc1ccc(Cl)nn1	63069652	UQUJDHREQMAUKG-UHFFFAOYSA-N	322.712	1.865	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)COc1ccccc1C#N)C1CCC1	127897927	VZBOQQIFAPTSPN-LLVKDONJSA-N	316.361	1.456	50	20	DDGD	
COc1c(F)cc(NC(=O)NNC(=O)c2cccnc2)cc1F	184512513	VUUJGFAUGBJMQW-UHFFFAOYSA-N	322.271	1.835	50	20	DDGD	
Cn1ncc2c1CCC[C@H]2NS(=O)(=O)CBr	127297341	LQGGXCVYNCSNET-MRVPVSSYSA-N	308.201	1.069	50	20	DDGD	
CC(C)CCO[C@@H](C)C(=O)NNC(=O)c1ccc(C#N)cc1	129077492	QQBAZPKBOKTIEC-LBPRGKRZSA-N	303.362	1.770	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1cc(Cl)ncc1Cl	121646297	BONVKGIWBOPCFS-UHFFFAOYSA-N	324.131	1.812	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCc1cccc(C(N)=O)c1	188156212	QZWTUZYXRHAJAB-NVNXTCNLSA-N	321.336	1.714	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccc3ccccc3n2)cnn1C	120780491	QLQYEHPRACIBBP-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
CNC[C@@H](C)CNS(=O)(=O)c1ccc(CCCCl)cc1	124082003	HKBLWXVYLXQOPE-GFCCVEGCSA-N	318.870	1.992	50	20	DDGD	
Cc1ccc(S(C)(=O)=O)cc1C(=O)NNC(=O)C(C)(C)C	77219047	HMJBEZVXNXYFJQ-UHFFFAOYSA-N	312.391	1.206	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccn2C)c2ccccc2n1	72622688	AMHBTAYEVFOJDJ-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
CN(C)CCCCCCCNC(=O)NNC(=O)C(C)(C)C	125123838	PIFTXTNHOOPDIA-UHFFFAOYSA-N	300.447	1.875	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C)ccc1Cl	124810837	IXLFPRJZGSAAGZ-SECBINFHSA-N	311.769	1.780	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(C)c(-c2ncco2)c1	183224597	IPTLWVZXFODZLA-UHFFFAOYSA-N	318.333	1.839	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)NC2CCCCC2)cc1	42084284	IJWHTTNCXMMFMQ-UHFFFAOYSA-N	316.361	1.600	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCOc1ccccc1OC	41961491	GWTIDWFGCCMUPG-UHFFFAOYSA-N	309.391	1.145	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Cc1ccc(O)cc1	133395787	XMYMWGSNOPSOMQ-UHFFFAOYSA-N	314.341	1.333	50	20	DDGD	
C=C(Br)CNC(=O)NNc1cncc(Cl)n1	195244964	IHUFGHAKXJHXBS-UHFFFAOYSA-N	306.551	1.665	50	20	DDGD	
NC(=O)[C@H]1CC[C@H](C(=O)NNc2ccc(Cl)cc2Cl)O1	193631929	WLYZJQQDWCZAML-NXEZZACHSA-N	318.160	1.469	50	20	DDGD	
COC(=O)C1(C(=O)NNC(=O)CCCc2ccccc2)CC1	131080615	JGRFOBBYGANNTB-UHFFFAOYSA-N	304.346	1.110	50	20	DDGD	
C[C@H](C(=O)NNc1cccc([N+](=O)[O-])c1)N(C)CC(F)(F)F	193631450	FLDGJHMTAAZJOG-MRVPVSSYSA-N	320.271	1.921	50	20	DDGD	
COc1nccnc1NNC(=O)c1cccc(-n2cccn2)c1	132161737	PGISAGFXZOGXHA-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ccnc(F)c2)ccc1F	190308150	YJWQSHIXDGQAKZ-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCN(C(C)C)C(C)C)n1	43065215	OPXUGPDNLKZPEM-UHFFFAOYSA-N	308.430	1.838	50	20	DDGD	
Cc1nnsc1C(=O)NNc1nc(-c2ccccc2)no1	190508463	PAIISTDPWMDTGS-UHFFFAOYSA-N	302.319	1.653	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1cnn2ccncc12	193048498	TYHRSHZZZPQIMG-UHFFFAOYSA-N	309.329	1.123	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C	269504710	YEUAELHNUSIYLQ-HUYFXPKMSA-N	311.407	1.247	50	20	DDGD	
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1cnccn1	269147120	ITZVVGKIRRFUOS-NSHDSACASA-N	323.397	1.859	50	20	DDGD	
C[C@@H](NC(=O)C1CCCC1)C(=O)NNc1cccc([N+](=O)[O-])c1	269593510	DZSSVCHSDOGTEJ-SNVBAGLBSA-N	320.349	1.733	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNc1nc(-c2cccnc2)no1	263967816	SXQRAMKYRYABPM-SNVBAGLBSA-N	303.322	1.556	50	20	DDGD	
COC[C@@H](C)OC(=O)/C(C#N)=C\c1cc(C(=O)OC)c(C)o1	278642153	QRKNASIBKWZTRU-QQCYMQAYSA-N	307.302	1.860	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccccc1S(C)(=O)=O	273294789	DGAIIEKFKWORDM-UHFFFAOYSA-N	313.379	1.289	50	20	DDGD	
CC(C)C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc[nH]2)CCO1	272161587	XKEYSMILIGNDNV-NWDGAFQWSA-N	308.382	1.552	50	20	DDGD	
C[C@@H](C(=O)N1CC=C(C#N)CC1)n1nnc(-c2ccccc2)n1	271093020	ILUNWKOUTXXTTF-LBPRGKRZSA-N	308.345	1.583	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(C)(C)Oc1ccc(C#N)cc1	272708269	WVYFLFICIUNEHF-UHFFFAOYSA-N	304.350	1.408	50	20	DDGD	
Cc1cc2c(cc1C)[C@H](C(=O)NNc1nccn(C)c1=O)CO2	274587017	IWNWUPFWHWCXMU-GFCCVEGCSA-N	314.345	1.016	50	20	DDGD	
C=C(C)[C@H](CC(=O)NNC(=S)NCCSC)OCC	271385571	IDMIRQJZAHZKPD-JTQLQIEISA-N	305.469	1.216	50	20	DDGD	
COc1nccnc1NNC(=O)C[C@@H]1CCO[C@H](C(C)C)C1	274134563	WDQWNMBXOSLLNC-NEPJUHHUSA-N	308.382	1.770	50	20	DDGD	
CCOC(=O)C[C@@H](C)CNC(=O)NNc1cncc(Cl)n1	270486768	FNKQNQRXWTXGNV-MRVPVSSYSA-N	315.761	1.345	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)C(C)(C)S(C)(=O)=O	271952422	CEEAOBBSAAQORT-UHFFFAOYSA-N	321.402	1.810	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C1CCC1)n1ccc2ccccc2c1=O	279536030	WKSADUFGXZFHLK-LLVKDONJSA-N	313.357	1.510	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccc(CN2CCCC2=O)cc1	274110807	QTIGWLUOUSZMCF-UHFFFAOYSA-N	316.361	1.372	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(OC(F)F)cc1	274408033	LVQHGOZMKCZHRS-UHFFFAOYSA-N	302.281	1.986	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccnc(O[C@H]2CCOC2)c1	273384219	NHDDNBIMNWOSMH-NSHDSACASA-N	307.350	1.056	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@@H](NC(=O)NNC(=O)Cc2ccncc2)C1(C)C	271766423	BZNAMQVWUBBWBU-LERXQTSPSA-N	320.393	1.014	50	20	DDGD	
C[C@H](NC(=O)NNc1ncccn1)[C@H](c1ccccc1)N(C)C	287966991	JCQJZBGVWVBDCA-GXTWGEPZSA-N	314.393	1.794	50	20	DDGD	
Cc1cc(NNC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)ncn1	370286386	VIUMZFRYJHNTKK-CPWXYTRJSA-N	302.378	1.559	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C(C)(C)C2CC2)nc1C	288724982	VOTJSYSMQZGSHV-UHFFFAOYSA-N	306.366	1.841	50	20	DDGD	
Cc1ccnc(NNC(=O)c2ccnc(NC(=O)C3CC3)c2)c1	287693282	JWJQALULSUTXKO-UHFFFAOYSA-N	311.345	1.890	50	20	DDGD	
CC1(C)CC[C@@H]1NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	287944026	GDXBJYJHLVAWTF-NSHDSACASA-N	306.322	1.727	50	20	DDGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NNc1nnc(C2CC2)s1	285968630	DQEHAJOTFOAFTR-XVKPBYJWSA-N	311.411	1.409	50	20	DDGD	
CCn1c(SCC(=O)NN(C)CCOC)nc2ccccc21	288548594	YMPLJKFCAVKZIL-UHFFFAOYSA-N	322.434	1.758	50	20	DDGD	
CSSCCNC(=O)N1CCOC[C@H]1[C@@H]1CCCO1	376418967	DEUBFIJUIAQLJW-QWRGUYRKSA-N	306.453	1.587	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H]1CCN(c2ccccc2F)C1	289506192	LFELCXYOSNYYRV-LBPRGKRZSA-N	307.369	1.846	50	20	DDGD	
Cc1noc(C)c1C[C@H](C)NC(=O)NNc1ncncc1F	292845027	YVIRMWDZOLPRNQ-ZETCQYMHSA-N	308.317	1.478	50	20	DDGD	
CC[C@H](C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)c1ccccc1	298064551	AXHSUOGKSQBWDG-CABCVRRESA-N	324.446	1.673	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)[C@@H]1CCCCC1(F)F	296539563	BIVHXBJDNKQCOY-JTQLQIEISA-N	322.319	1.931	50	20	DDGD	
Cc1[nH]c(C(=O)NNc2ccncn2)c(C)c1C(=O)OC(C)C	295386427	FRCHETYJUPPTAE-UHFFFAOYSA-N	317.349	1.744	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cc(OC)c(OC)c(OC)c1	298568844	BDSSOJFMEYFZIB-GHXNOFRVSA-N	320.345	1.382	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1CCN(c2ccccc2Cl)C1	297226239	XYJQAHXWVMTJIY-LBPRGKRZSA-N	311.813	1.776	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1ccccc1-n1cccn1	802031494	GCQFIDZDFBRBBM-UHFFFAOYSA-N	322.328	1.156	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@@H](C)c1nccn1-c1ccccc1	806067415	UAXCXGZPCKEUDX-LBPRGKRZSA-N	315.377	1.920	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2cc(C(F)(F)F)ccn2)CC1	295484081	FAZGBLRPUXIKJL-UHFFFAOYSA-N	317.267	1.887	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)c1ccc(Cl)cc1OC	294267531	DQYUWCNUOAANRG-LLVKDONJSA-N	314.769	1.925	50	20	DDGD	
CO[C@H](Cc1ccccc1)C(=O)NNC(=O)CC1CCCC1	295293323	QJSWKPGDRLQVMF-OAHLLOKOSA-N	304.390	1.972	50	20	DDGD	
Cn1nccc1COCC(=O)NNc1cnnc2ccccc12	806857967	YSEMBBPBJUOWRY-UHFFFAOYSA-N	312.333	1.023	50	20	DDGD	
Cc1ccc2c(c1)CC[C@@H](C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)O2	293915217	AQDFULWORAMSJJ-CQDKDKBSSA-N	318.373	1.404	50	20	DDGD	
CC(C)(C)CNC(=O)NNC(=O)[C@H]1COc2ccccc2O1	298702835	KAXFIUUMUSVATH-GFCCVEGCSA-N	307.350	1.203	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CC2CC2)cc([N+](=O)[O-])c1C	294232405	ROENWNXSKXJRLE-UHFFFAOYSA-N	307.306	1.473	50	20	DDGD	
COc1ncccc1CNC(=O)NNc1cccc(Cl)n1	814275995	PDTHKPSMTXDYHG-UHFFFAOYSA-N	307.741	1.965	50	20	DDGD	
CC1(C)OCc2cc(C=NNC(=O)Cc3cc[nH]n3)ccc2O1	814956484	ZTRNQVPOKKEYQU-UHFFFAOYSA-N	314.345	1.748	50	20	DDGD	
O=C(NN=C1CC[C@H]2CNc3cccc1c32)C(=O)N1CCCC1	814824562	AQPPOPBBPGICGV-NSHDSACASA-N	312.373	1.432	50	20	DDGD	
Cc1nc(Br)sc1C(=O)NNc1ncccn1	816849363	XLJLWNAMSBCSGC-UHFFFAOYSA-N	314.168	1.761	50	20	DDGD	
NC(=O)N1CCC[C@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	819743312	NJTPXFGPNBVMAZ-ZETCQYMHSA-N	318.164	1.375	50	20	DDGD	
Cn1cc(C=NNC(=O)COc2ccc3ccccc3c2)c(O)n1	814218851	ZZHARXUAKBJEIF-UHFFFAOYSA-N	324.340	1.808	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H]1CCN(c2ccccc2Cl)C1	810584740	UUYHBQIWNVWOTQ-JTQLQIEISA-N	310.785	1.517	50	20	DDGD	
O=C(NNc1ncncc1F)c1cc(OCC(F)F)ccn1	817080138	GEFOBFIDFRXTHV-UHFFFAOYSA-N	313.239	1.412	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2cccc[n+]2[O-])cc1C	812724060	SPXUPTZAFDNXRE-UHFFFAOYSA-N	315.329	1.562	50	20	DDGD	
C[C@H](OC[C@H]1CCCO1)C(=O)NNc1nc2ccccc2n1C	816580178	WINAIIFOTOWHPH-NWDGAFQWSA-N	318.377	1.601	50	20	DDGD	
COC(=O)c1cc(C(=O)OC[C@H](C)CBr)c[nH]1	814532048	MAGNJVVBWSCYTD-SSDOTTSWSA-N	304.140	1.989	50	20	DDGD	
CCCC(=NNC(=O)[C@H](C)CN1CCOCC1)c1ccccn1	814763044	RFNYZSKCWCVWKY-CQSZACIVSA-N	318.421	1.670	50	20	DDGD	
O=C(NNc1ncncc1F)c1c(F)c(F)cc(F)c1F	817081038	NULXNHSXMDSBNM-UHFFFAOYSA-N	304.178	1.929	50	20	DDGD	
CC(C)C(=O)Nc1cc(C(=O)NNc2cccnn2)ccn1	816068575	YHUVWMLDVLMYAT-UHFFFAOYSA-N	300.322	1.223	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNC(=S)Nc1cccc(C)c1C	810021235	AILUSDYEZGUZSU-HNNXBMFYSA-N	307.419	1.948	50	20	DDGD	
N#C[C@@H]1CCCC(=NNC(=O)CNC(=O)c2cccs2)C1	814827506	MPLSMIKWZQSSSZ-SNVBAGLBSA-N	304.375	1.664	50	20	DDGD	
COc1ccc(N2C[C@@H](C(=O)NN(C)C3CC3)CC2=O)cc1	819645567	NRFQXBMYPBCJQI-NSHDSACASA-N	303.362	1.174	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@H](CC(F)(F)F)C1	817281989	VASWGWCDCRVQQB-SNVBAGLBSA-N	323.359	1.844	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1	728188218	MAPZUNJTESXTAF-AWEZNQCLSA-N	314.389	1.721	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)COc1ccc(C#N)cc1)C1CC1	822572066	INMBCAZJAMOYMP-AWEZNQCLSA-N	316.361	1.456	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)/C(C#N)=C/c2cnn(C)c2)C12CCC2	491046902	HTRQDUOLYUBSPF-PHIGAYBXSA-N	314.389	1.791	50	20	DDGD	
CCCCO[C@@H]1C[C@H](N[C@@H](C)C(=O)NNC(=O)CC)C1(C)C	829677602	DXQONCHKIWBKIC-RWMBFGLXSA-N	313.442	1.506	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCC[C@@H](C)c1ccccc1	825836383	ZKOSYTSXJQYFBW-VNHYZAJKSA-N	319.405	1.936	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccn2cc(C(F)(F)F)nc2c1	823906874	DYPTXHRNTAQQQZ-QMMMGPOBSA-N	316.283	1.311	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C	491245713	WUUHJSQBHKCIHK-VIFPVBQESA-N	317.411	1.101	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)C1(C(=O)C2CC2)CC1	823231916	FFJCURPLIHSFMN-UHFFFAOYSA-N	312.329	1.939	50	20	DDGD	
CN(NC(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1)C1CC1	496124010	AWYQHAVPMRDGRD-UHFFFAOYSA-N	320.393	1.845	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCC(=O)NC(C)(C)C	728596900	PHUMRKMNFPGHTH-UHFFFAOYSA-N	300.403	1.058	50	20	DDGD	
Cc1cc(/C=C/C(=O)NCB(O)O)ccc1OC(F)(F)F	585062894	PBHRVFZFOGDERU-HWKANZROSA-N	303.045	1.035	50	20	DDGD	
CCC(F)(F)C(C)(C)CNCc1ccc(B(O)O)cc1F	585049089	KHEOQRZIMPRCCI-UHFFFAOYSA-N	303.133	1.667	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc2c(c1)nc(O)n2C1CC1	823799703	SNSIMFHKLGMAOX-UHFFFAOYSA-N	303.322	1.041	50	20	DDGD	
C[C@H]1C[C@H](c2nc(-c3ccc(B(O)O)cc3)no2)C[C@@H](C)O1	585050895	OZYYPIVYZVRBKW-PEGIJTEDSA-N	302.139	1.087	50	20	DDGD	
O=C(Cc1ccc(O)cc1)NNc1ccc(-c2nn[nH]n2)cc1	826423065	XHYWSRGQVBLIRA-UHFFFAOYSA-N	310.317	1.258	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C	823865418	PXTBVNRLQQVDJG-LLVKDONJSA-N	317.430	1.271	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccnc(Oc2ccccc2)c1	823965445	MOEGXBHESUUXHJ-LBPRGKRZSA-N	301.346	1.831	50	20	DDGD	
C[C@H]1C[C@@H](c2ccsc2)CN1C(=O)c1ccc(B(O)O)cc1	584949445	GKZGILCRHOESQV-SMDDNHRTSA-N	315.203	1.446	50	20	DDGD	
CC(C)(C)n1nnc(CC(=O)NNc2cccc(Cl)c2)n1	820685018	FBFZQUWUZPZLRG-UHFFFAOYSA-N	308.773	1.767	50	20	DDGD	
CC1(C)CC(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)C1	496625601	UALUEHOGWGDALR-UHFFFAOYSA-N	313.398	1.485	50	20	DDGD	
CCN(CCO)NC(=O)COc1c(Cl)cccc1Cl	823833479	CONKZHZFMHIWFR-UHFFFAOYSA-N	307.177	1.718	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)C[C@@H]1CC[C@@H]2C[C@H]12	497250121	HAMCKFMVEYBUJD-VWYCJHECSA-N	311.382	1.095	50	20	DDGD	
CN(CCCC(=O)NNC(=O)CCCc1ccccc1)C(=O)O	737426936	LGMDSSBLYQBIHQ-UHFFFAOYSA-N	321.377	1.547	50	20	DDGD	
C[C@@H](NCc1ccc(B(O)O)cc1)[C@H]1CCCN(C2CCC2)C1	585033959	DEQAETZQITZNDY-ZBFHGGJFSA-N	316.254	1.109	50	20	DDGD	
Cc1ccccc1C1=NO[C@H](C(=O)NNC(=O)C2CCC2)C1	906645118	SPZVTNHICBCDQR-AWEZNQCLSA-N	301.346	1.436	50	20	DDGD	
O=C1C[C@@H](C(F)(F)F)[C@@H](C(=O)NCC(Cl)Cl)CN1	822913182	GARIQBRCMZXYMO-CRCLSJGQSA-N	307.099	1.221	50	20	DDGD	
CC(C)OC[C@@H]1CN(C(=O)[C@@]2(C)C[C@H]2Br)CCO1	907455678	JWWHFGBJFCOCGU-LOWVWBTDSA-N	320.227	1.812	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H]1CC(=O)N(c2ccccc2F)C1	491044783	DAWCRUQXVHAWSX-IIANPFDCSA-N	317.320	1.491	50	20	DDGD	
CCC1(CNC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)COC1	491159673	JDNNABDSQFRVNI-LHHJGKSTSA-N	312.373	1.655	50	20	DDGD	
C[C@]1(C(=O)N2CC[C@@H](CS(C)(=O)=O)C2)C[C@H]1Br	908354924	OWXNDTDSKOAAQV-KKZNHRDASA-N	324.240	1.053	50	20	DDGD	
CC(C)(Cc1ccc(Cl)cc1)C(=O)NNC(=O)c1ncon1	832825796	HWBVJUHKOLTKBI-UHFFFAOYSA-N	322.752	1.753	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1cc(F)cc([N+](=O)[O-])c1	735686618	XAXGWBRNSSNXDM-UHFFFAOYSA-N	311.660	1.934	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(C)nn2)c1	839456984	QFHLMGSEWVAYBQ-UHFFFAOYSA-N	314.345	1.242	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCC(=O)N(CC)c1ccccc1	905009095	MRJWGTWLKFFWEX-ACCUITESSA-N	301.346	1.600	50	20	DDGD	
CN1C(=O)CC[C@@H]1CC(=O)NNc1ccc(OC(F)F)cc1	830810208	JBSYEHDINONYCC-SNVBAGLBSA-N	313.304	1.742	50	20	DDGD	
CCC(CC)n1nccc1C(=O)NNC(=O)[C@H]1CCCCO1	833245731	ABXYNYHRGGQUDL-CYBMUJFWSA-N	308.382	1.574	50	20	DDGD	
O=C1CC[C@@H]2[C@@H]1[C@@H]2C(=O)NNc1ccc(C(F)(F)F)nn1	907123942	NVDKRQHXMVRNAP-ZVCUKBJDSA-N	300.240	1.164	50	20	DDGD	
Cc1cccc2c1CC(C)(C)N(CC(=O)NNC(=O)C1CC1)C2	830750057	CTFNEXSATPQDAR-UHFFFAOYSA-N	315.417	1.689	50	20	DDGD	
CCC(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)ccc1F	833246153	DWQGGORHJKYEQH-AWEZNQCLSA-N	322.336	1.749	50	20	DDGD	
CCn1cccc1C=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1	834932206	CJLIOYYRYLBQPD-RBSFLKMASA-N	320.437	1.703	50	20	DDGD	
CSSCCNC(=O)N[C@H]1C[C@H]2CCCCN2C1=O	836448929	ZKJNYAWUDORYNH-ZJUUUORDSA-N	303.453	1.450	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(C3CC3)[nH]n2)c(F)c1	837210800	GHACJBRUHHUMPO-UHFFFAOYSA-N	318.308	1.970	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCc3c(Cl)cccc32)c(F)c1	585020107	NSEXWWHSHBUCEW-INIZCTEOSA-N	319.572	1.936	50	20	DDGD	
O=C(c1cnn(-c2ccccc2Cl)c1)N1CC[C@H](B(O)O)C1	585076297	MNCUELIMDZTWNI-NSHDSACASA-N	319.557	1.215	50	20	DDGD	
Cc1cccc(C2(C(=O)NNC(=O)c3ncon3)CCCC2)c1	832826175	SONYMHQOTIRFLD-UHFFFAOYSA-N	314.345	1.651	50	20	DDGD	
CCn1ccnc1[C@H](C)NC(=O)NNc1nc(C)cc(C)n1	836628640	UBJNBCULWPNOFQ-NSHDSACASA-N	303.370	1.697	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)O)c1C	738067235	DKOAFUJRZVJTDE-ACLQVGRQSA-N	320.345	1.675	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)N[C@H]1C[C@H]1C1CCCCC1	836324503	NORBKELDDHILMG-KBPBESRZSA-N	317.393	1.808	50	20	DDGD	
OB(O)c1ccc(CNCc2ccc(OC3CCCC3)cc2)o1	585042453	QUNLWHAKWBLLRB-UHFFFAOYSA-N	315.178	1.571	50	20	DDGD	
O=C(NC1CCc2ccccc2CC1)c1ccc(B(O)O)cc1	584997238	ZCBRXNAUGYLLEX-UHFFFAOYSA-N	309.174	1.044	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@@H](C)c1ccn(C)n1	838771915	AOZOVRUAWZWQTH-LBPRGKRZSA-N	315.377	1.363	50	20	DDGD	
CC(C)[C@]1(C)C[C@H]1NC(=O)NNC(=O)COc1ccc(F)cc1	838764965	FRIPLNDAPMWWIL-CJNGLKHVSA-N	323.368	1.970	50	20	DDGD	
Cc1cc(Br)c(C(=O)NNC(=O)C(C)(C)O)s1	837566669	CBPWGBSPXXYLIE-UHFFFAOYSA-N	321.196	1.351	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(Cl)cc1F)C(=O)N(C)C	914169097	NTUFMQMSGQDOAV-ZETCQYMHSA-N	302.737	1.582	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cn2ccnc12	831834173	BJVBYMAYMMJAIT-JQWIXIFHSA-N	317.349	1.220	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C1=CC[C@@H](C)CC1	836207941	LGEPWAWLHZNSRE-GFCCVEGCSA-N	318.373	1.968	50	20	DDGD	
CCn1nc(C2CC2)cc1C(=O)NNC(=O)OCC(F)(F)F	912596570	HBHAIRWFQWABLG-UHFFFAOYSA-N	320.271	1.714	50	20	DDGD	
N#Cc1c[nH]c(C(=O)NNC(=O)c2cc3c(s2)CCC3)c1	748285035	FSEBUKMRZQUTPJ-UHFFFAOYSA-N	300.343	1.511	50	20	DDGD	
COCCOC[C@H](C)NS(=O)(=O)c1ccc(CCl)cc1	914190095	ITLVZELMFBGMIK-NSHDSACASA-N	321.826	1.755	50	20	DDGD	
COC(=O)c1cc(OC(=O)c2ncccn2)ccc1[N+](=O)[O-]	748801920	ZYXFGBKEKWALAK-UHFFFAOYSA-N	303.230	1.391	50	20	DDGD	
CCCCCC(=O)OCC(=O)NNC(=O)c1cccc(C)c1	744474191	OEEVHCPENQEKAP-UHFFFAOYSA-N	306.362	1.880	50	20	DDGD	
Cc1c(C)c(O)c(C=NNC(=O)[C@H]2CCO[C@H]2C)c(C)c1O	842560646	NBVQPTMIFZHEOS-RYUDHWBXSA-N	306.362	1.898	50	20	DDGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)[C@]1(O)CCOC1	840401397	JKIOIXPHUVIEQW-NSHDSACASA-N	306.240	1.180	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(F)cc(Cl)c1	843654591	SBXAGWUFSOTSPR-RDDDGLTNSA-N	300.717	1.665	50	20	DDGD	
Cc1ccc(C)c(OCCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	843641884	UVJAUXKNZQOITN-ZIAGYGMSSA-N	320.389	1.645	50	20	DDGD	
Cc1cccc(C)c1NCC(=O)NNC(=O)c1c[nH]nc1C	742070710	XTFOIUZXSRZEAK-UHFFFAOYSA-N	301.350	1.208	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CC[C@@H]([C@H]2CCOC2)C1	749770542	WYTDDKDLNCXVDX-KGLIPLIRSA-N	317.389	1.708	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cnc(F)c(Br)c1	847482467	WPVOVWSQLZXYJB-UHFFFAOYSA-N	316.130	1.544	50	20	DDGD	
C[C@@H](N)CNC(=O)NNC(=O)c1c(Cl)cccc1Cl	841988481	RQZLZWMPDUEXKD-ZCFIWIBFSA-N	305.165	1.285	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCC[C@@H](OC(C)C)C2)n1	846717674	OBPWNJOFOYYMHK-CYBMUJFWSA-N	320.393	1.634	50	20	DDGD	
Cn1nc(C(=O)NN=Cc2cccc(O)c2)c2ccccc2c1=O	916316507	WPNDVVQDYMQTFF-UHFFFAOYSA-N	322.324	1.403	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cnn(C(C)(C)C)c2)n1	915950917	GRYHIZVJAQMMLK-UHFFFAOYSA-N	302.382	1.602	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@@H](c1c(F)cccc1Cl)N(C)C	746184010	DGGPMFPEEJJMEV-LLVKDONJSA-N	316.764	1.384	50	20	DDGD	
CNc1ccc(Cl)c(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	844147983	YUIOJLLRVOTUTR-SCZZXKLOSA-N	311.769	1.568	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C1C[C@H](C)n2ncnc21	841606304	CHHHYKYPEJEDBD-JTQLQIEISA-N	315.333	1.151	50	20	DDGD	
Cc1ccsc1S(=O)(=O)NNC(=O)c1cccc(C#N)c1	741656036	HFQNTXBHOIMIIX-UHFFFAOYSA-N	321.383	1.552	50	20	DDGD	
COc1cc(C=NNC(=O)NCC(F)(F)F)cc(OC)c1	917553710	SDAWWDXJLMVYHQ-UHFFFAOYSA-N	305.256	1.899	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1ccc(N2CCOCC2)cc1	842553479	HNJQKRXAQLTBSS-CZUORRHYSA-N	317.389	1.398	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H]1CC[C@@H]1C(N)=O	848227211	UXVSLXMCYBZGGC-JGVFFNPUSA-N	311.773	1.208	50	20	DDGD	
O=C(NNc1ncccc1F)N[C@H]1CCCN2CCCC[C@@H]12	848675286	WFEZDVQNIHJCGE-STQMWFEESA-N	307.373	1.864	50	20	DDGD	
C=C(C)CONC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	845589401	DIYCXORCPNXMAR-ZDUSSCGKSA-N	321.377	1.909	50	20	DDGD	
Cc1noc(C(F)F)c1C(=O)NNC(=O)c1ccc(C#N)cc1	746184427	BIOJFYHKUOFJFX-UHFFFAOYSA-N	320.255	1.867	50	20	DDGD	
CCc1[nH]nc(C(=O)NNc2cccc(C#N)c2)c1[N+](=O)[O-]	749259726	FADWBMOGVLNRLE-UHFFFAOYSA-N	300.278	1.509	50	20	DDGD	
C=CCNC(=S)NNC(=O)C[C@@H](c1ccccc1)N(C)C	841375908	MYTBNQSVCDWCAW-ZDUSSCGKSA-N	306.435	1.361	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc(C2CC2)c1	848839130	YFVFTFCIARQMBH-JTQLQIEISA-N	304.346	1.667	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCc1cccc([N+](=O)[O-])c1	743346536	CPWDURAGDGGXPG-UHFFFAOYSA-N	320.227	1.378	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(C(F)(F)F)[nH]1	843971053	OJPDJDWSTKPQAT-BQBZGAKWSA-N	305.256	1.220	50	20	DDGD	
O=C(NNc1ccc(Cl)c(F)c1)[C@H]1CCc2nnnn2CC1	845858167	HTHYMMKKRNGKMZ-QMMMGPOBSA-N	324.747	1.561	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)[C@@H]1CC12CCCC2	855832274	ZOWIDPZBRHPNOK-LBPRGKRZSA-N	323.437	1.657	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)c1ccc(N2CCCC2)nn1	856094002	UUNMQXUMQHBUGO-UHFFFAOYSA-N	318.768	1.882	50	20	DDGD	
CS(=O)(=O)Nc1cccc(/C=C(\C#N)C(=O)NC2CC2)c1	853004664	WCTXKJVZFMDIJZ-YRNVUSSQSA-N	305.359	1.244	50	20	DDGD	
CCCOc1ccccc1NC(=O)NNC(=O)c1c[nH]nc1C	755443228	WWSQZJGYRBNIBW-UHFFFAOYSA-N	317.349	1.973	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cccc(OCCCOC)c1	854923934	AAEMWOSQHUHADY-UHFFFAOYSA-N	311.407	1.183	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)/C=C/c1ccc(C)nc1	854283978	RUEPPXYYOIPIRK-BQYQJAHWSA-N	322.434	1.277	50	20	DDGD	
C[C@@H]1C(=NNC(=O)c2cccc(C(=O)O)c2)CC[C@H]1CC(=O)O	853426329	LXFFAKSIZJNVAN-UWVGGRQHSA-N	318.329	1.991	50	20	DDGD	
CC[C@@H]1CC(=NNC(=O)c2cccc(S(C)(=O)=O)c2)CCO1	756825344	FCJSZVHGCZBAGS-CYBMUJFWSA-N	324.402	1.765	50	20	DDGD	
COC[C@@]1(C)NC(=O)N(CCO[Si](C)(C)C(C)(C)C)C1=O	853661887	DALRSTGAFAOIKP-CQSZACIVSA-N	316.474	1.965	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)[C@@H]1CCCN1c1ncccn1	856095247	JBHOWUFJHKTTTM-NSHDSACASA-N	318.768	1.637	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cc2ccccc2n1C	853313707	GDONOILZKHZONB-GFCCVEGCSA-N	303.362	1.680	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)c1ccnc(F)c1	753078855	QZPZANWLSRRVJE-UHFFFAOYSA-N	324.406	1.634	50	20	DDGD	
CCCOc1ccc2c(c1)C(=NNC(=O)C[N+](C)(C)C)CCO2	920361785	YCUWAKUUHWLYKS-UHFFFAOYSA-O	320.413	1.784	50	20	DDGD	
CNC(=S)N(C)NC(=O)COc1cc(C)ccc1C(C)C	854929447	ICWKLUHARMNKAQ-UHFFFAOYSA-N	309.435	1.965	50	20	DDGD	
C[C@H]1[C@H](C)CCN1CC(=O)NNC(=O)c1cccc(Cl)c1	752317627	FGRLPQRTEBNDSE-MNOVXSKESA-N	309.797	1.831	50	20	DDGD	
O=C1CCC(C(=O)OC[C@@H](CBr)C2CC2)=NN1	859441833	DSDSJWPDTQEXJU-MRVPVSSYSA-N	303.156	1.217	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@]1(C)CCC[C@H]1C	854285556	MWDPAZBVZYZHNG-RISCZKNCSA-N	301.456	1.687	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cc2nonc2C)c1C	855624199	FBKCWMNQDOGACW-UHFFFAOYSA-N	304.306	1.159	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2COCCN2CC(F)F)cc1F	856230704	ZGNNCPMDBGQQJD-LBPRGKRZSA-N	317.311	1.543	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C[C@H](C)COC)c1	755662742	SRBVTTJEVZDEPQ-NSHDSACASA-N	305.403	1.658	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cccnc2N(C)C)nc1	759729212	PWTNGKPEXSYGBI-UHFFFAOYSA-N	315.333	1.086	50	20	DDGD	
COc1cccc(NCC(=O)NN=C2C[C@H](C)N(C3CC3)C2)c1	753954925	JMJLEWHTOLDTAN-LBPRGKRZSA-N	316.405	1.836	50	20	DDGD	
O=C(CCNC(=O)C1CCCCC1)NNC(=O)NC1CCCC1	751382957	BYUZQQXNXMHZKK-UHFFFAOYSA-N	324.425	1.346	50	20	DDGD	
O=C(CNC1(C2CC2)CC1)NNC(=O)c1cccc(Cl)c1	754360201	ACICFBIEJATLLB-UHFFFAOYSA-N	307.781	1.633	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cccc2c1OCCO2)C1CC1	751619953	YOAXYXBYYFOGJX-SECBINFHSA-N	321.402	1.365	50	20	DDGD	
COc1cc(S(=O)(=O)NCC(Cl)Cl)cnc1Cl	867470942	UHKCCYCSSMRPJZ-UHFFFAOYSA-N	319.597	1.826	50	20	DDGD	
COc1cc(C(=O)NNCC(F)(F)C(F)(F)F)sn1	863101627	ALSRFYJVBIPKNQ-UHFFFAOYSA-N	305.228	1.584	50	20	DDGD	
Cc1nn(C)c(C)c1NC(=O)NNCC(F)(F)C(F)(F)F	860861948	GKXWHFDDVIBYRT-UHFFFAOYSA-N	315.246	1.861	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1cncc(N2CCCC2)n1	867434435	RSENXBOVFQWJRN-UHFFFAOYSA-N	318.768	1.304	50	20	DDGD	
CC(=O)NNC(=O)[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@H]21	864427739	VEQPWEKXKFNCHQ-QJPTWQEYSA-N	309.163	1.502	50	20	DDGD	
CC(C)C[C@@H](C)n1nccc1NC(=O)C(=O)NNC(=O)C(C)C	763816969	UEVBGVVAYBMSAW-LLVKDONJSA-N	323.397	1.232	50	20	DDGD	
COc1ccc(COCCC(=O)NN=c2cc[nH]c(C)c2)cc1	862511612	VOOKNLSHURVHQQ-UHFFFAOYSA-N	315.373	1.871	50	20	DDGD	
O=C(NNc1cnccn1)Nc1cccc(Cn2cncn2)c1	769976566	PRVJEIVPZYUMKO-UHFFFAOYSA-N	310.321	1.265	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1csc(NC2CC2)n1	769204639	XTXPLQUYXMUZCQ-UHFFFAOYSA-N	320.334	1.778	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@]12CCOC2)c1ccc(Cl)cc1O	763748044	VCXTUKBNPZAPJO-HZMBPMFUSA-N	310.737	1.233	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2)on1)c1cncnc1	760622147	XDRPAAZCCPPACB-UHFFFAOYSA-N	309.285	1.206	50	20	DDGD	
COc1ccc2c(c1)[C@H](C(=O)NNC(=O)c1cn[nH]c1)CCC2	862469628	RBDWVLVCACPORB-CYBMUJFWSA-N	314.345	1.299	50	20	DDGD	
C[C@H](C=NNC(=O)CS(C)(=O)=O)c1cccc(Cl)c1	863187523	NYNOAWHOXIWDKL-SECBINFHSA-N	302.783	1.590	50	20	DDGD	
O=C(COC[C@H]1CCCO1)NNCC(F)(F)C(F)(F)F	863095825	XGZQQSBVTPQBFL-SSDOTTSWSA-N	306.231	1.000	50	20	DDGD	
Cc1nn(CC(=O)OC(C)C)c(C)c1C=NNC(=O)C1CC1	768357006	FSWYKMUBFDROLO-UHFFFAOYSA-N	306.366	1.312	50	20	DDGD	
CNc1ncc(C(=O)NNCC(F)(F)C(F)(F)F)s1	863942384	QYWAMPCDPFRDQQ-UHFFFAOYSA-N	304.244	1.617	50	20	DDGD	
N#CC1=CCN(C(=O)c2cnc3c(c2)NC(=O)CS3)CC1	760003665	NSLKDXMBSNJWEH-UHFFFAOYSA-N	300.343	1.422	50	20	DDGD	
CC#CCNC(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1	762601268	AFAYTBBHCFVNJV-UHFFFAOYSA-N	319.361	1.450	50	20	DDGD	
CC(C)(C)c1cnc(C=NNC(=O)C[n+]2ccccc2)s1	1117741368	UWHGVUDKMDCODA-UHFFFAOYSA-O	303.411	1.878	50	20	DDGD	
O=C(CCc1nnc(C2CCCC2)o1)NNc1ncc(F)cn1	760906098	LYDLOBJAHAEOES-UHFFFAOYSA-N	320.328	1.732	50	20	DDGD	
COC(=O)Nc1ccc(NCc2ccc(B(O)O)cc2)cc1	864020263	NRAUSZOBBVJPIS-UHFFFAOYSA-N	300.123	1.157	50	20	DDGD	
CCCCOCC(=O)NNC(=S)Nc1ccc(OC)nc1	874954367	SNLCKPRVQNMODD-UHFFFAOYSA-N	312.395	1.225	50	20	DDGD	
Cc1cccc(NNC(=O)NCC(=O)N(C)C2CCCCC2)n1	875343705	ZJAMGKDRQJEHGK-UHFFFAOYSA-N	319.409	1.807	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)COc1ccccc1OC	770591245	MPHWYVBBGOTGBA-UHFFFAOYSA-N	316.361	1.520	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@H]2C[C@H]3CCCCN3C2=O)n1	875658586	ZCIADFMSQRVLNX-NEPJUHHUSA-N	303.366	1.170	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)C2(N(C)C)CC2)cc1	874953816	KTFYWILJURQOLC-UHFFFAOYSA-N	321.450	1.164	50	20	DDGD	
CC(=NNC(=O)c1ccc(C#N)cc1)C1CCS(=O)(=O)CC1	777434282	SZGXCFNQQFQASB-UHFFFAOYSA-N	319.386	1.489	50	20	DDGD	
CCN(CC)C(=O)CCCNC(=O)NNc1cccc(C)n1	875098446	UMNPZVSDUQQTBP-UHFFFAOYSA-N	307.398	1.665	50	20	DDGD	
Cc1ccn(CC(=O)NNc2nccnc2C(C)C)c(=O)c1	772860942	WDTYUJYOXGRARV-UHFFFAOYSA-N	301.350	1.213	50	20	DDGD	
Cc1ccsc1CCNC(=O)NNC(=O)Cc1cccnc1	773540475	KLJSIUKUJGFDTG-UHFFFAOYSA-N	318.402	1.567	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@](C)(O)C(C)C	771116051	TWLOMIDFCQSNLZ-CQSZACIVSA-N	314.769	1.517	50	20	DDGD	
C[C@@]1(CNC(=O)C2(O)Cc3ccccc3C2)C[C@@H]1Br	1118845324	WJVOGRMDPNKGAR-JSGCOSHPSA-N	324.218	1.806	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2cc(Cl)ccc2[N+](=O)[O-])CN1	1117847750	NWGYAMZOEWXNLR-ZETCQYMHSA-N	312.713	1.218	50	20	DDGD	
CC[C@H](C(=O)NNC(=S)Nc1cccc(Cl)c1)N(C)C	873785235	OWDOWHDIXSCASW-LLVKDONJSA-N	314.842	1.998	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)c1ccc2c3c(cccc13)CC2	872334401	WJELMOCWYFTJOT-UHFFFAOYSA-N	318.398	1.904	50	20	DDGD	
C[S@](=O)c1cccc(NC(=O)NNc2ncc(F)cn2)c1	775615168	AULNEDUWUFOIEZ-NRFANRHFSA-N	309.326	1.502	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1	773672806	KTHDZZIDCHCRJQ-SOUVJXGZSA-N	322.453	1.581	50	20	DDGD	
CN(NC(=O)Nc1ccc(Br)c(C#N)n1)C1CC1	883114410	URGLTLQVWPNRDU-UHFFFAOYSA-N	310.155	1.846	50	20	DDGD	
O=C(NC[C@H]1COCCO1)NNc1c(F)cccc1Cl	771301286	RHEDBPJRXCLHJE-QMMMGPOBSA-N	303.721	1.521	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)n1cc(-c2c(F)cccc2F)nn1	881292570	DJLRYZWMHTYDTJ-MRVPVSSYSA-N	323.303	1.342	50	20	DDGD	
COc1cccc([C@H](O)C(=O)NNc2cc(Cl)ccn2)c1	778451822	WFQZWSMWTHZHMS-ZDUSSCGKSA-N	307.737	1.920	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2	1123735233	VKDGDPCUFHUKEY-YNEHKIRRSA-N	323.780	1.533	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)c1cccc(F)c1	772161487	YCENYKWRAKVDRL-VHSXEESVSA-N	310.325	1.418	50	20	DDGD	
COc1ccnc(NNC(=O)C(=O)Nc2cc(C)cc(C)c2)n1	773727014	UJLOQJQXXLMTTP-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C1(C(=O)OC(C)(C)C)CCC1	887151811	KZLBHNIUFWGXIV-UHFFFAOYSA-N	308.378	1.449	50	20	DDGD	
C[C@@H](NC(=O)NNc1c(F)cccc1F)[C@H]1CN(C)CCO1	770436033	TWIFVDWSRCSHME-BXKDBHETSA-N	314.336	1.310	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@@H](C)c1ccc(F)cc1	772109124	ICYOVGONQZDUQH-GHMZBOCLSA-N	324.352	1.808	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cnn(CC(C)C)c1C1CC1	887146934	QICHGPUKPVFOIQ-UHFFFAOYSA-N	316.405	1.981	50	20	DDGD	
NOCCCNC(=O)NNc1ccc(Br)c(F)c1	1120577553	DAWXJQQFXQIBAP-UHFFFAOYSA-N	321.150	1.495	50	20	DDGD	
CCn1[nH]nnc1=NC(=O)NNc1ccc(C(F)(F)F)cc1	888329805	MDXHUMVCYZBKHA-UHFFFAOYSA-N	315.259	1.282	50	20	DDGD	
CC(C)c1cc(NC(=O)C(=O)NNc2ccc(Cl)nc2)no1	784870312	MRBBSKIPBJUILA-UHFFFAOYSA-N	323.740	1.928	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2CCc3nccn3C2)cccc1[N+](=O)[O-]	787133809	KUMDYCAZHVLNFY-LLVKDONJSA-N	315.333	1.805	50	20	DDGD	
CC[C@@H](C)c1nc([C@@H](C)NS(=O)(=O)CCCCl)n[nH]1	882125861	OLIFELJFRUQGBF-RKDXNWHRSA-N	308.835	1.928	50	20	DDGD	
CCc1csc(NC(=O)C(=O)NNc2ccc(OC)cn2)n1	789747773	UKXKZJKLFVXDKB-UHFFFAOYSA-N	321.362	1.191	50	20	DDGD	
COCCOc1ccc(NC(=O)NN=c2cc[nH]cc2)cn1	781162346	SSYRQHXOVAXUHY-UHFFFAOYSA-N	303.322	1.072	50	20	DDGD	
O=S(=O)(CCCCl)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1	882005928	IJJFUGGUTFWQFF-JSGCOSHPSA-N	320.886	1.894	50	20	DDGD	
O=C1[C@H](NS(=O)(=O)CCCCl)CCN1C1CCCCC1	881996800	IXRDFVRWOYJYCA-GFCCVEGCSA-N	322.858	1.468	50	20	DDGD	
COc1ccnc(NNC(=O)C(=O)c2cc(F)ccc2C)n1	781938800	KXVKRUCHQHMTKL-UHFFFAOYSA-N	304.281	1.259	50	20	DDGD	
CO[C@@H]1CCOC[C@H]1NC(=O)NNc1cc(F)c(F)cc1F	898098241	LWWSKLRUVVCCKC-VXGBXAGGSA-N	319.283	1.534	50	20	DDGD	
COCCn1cc(C(=O)NNC(=O)NC2CCCCC2)c(C)n1	782540459	PLIRCMJJXAOGTA-UHFFFAOYSA-N	323.397	1.115	50	20	DDGD	
COc1ccc([C@H](NC(C)C)C(=O)NNc2ncccn2)cc1	895631213	UFDUDZTYCROSHC-AWEZNQCLSA-N	315.377	1.668	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](Oc2cccc(F)c2)C1	784483015	AKKIRNZDLRKOOP-SMDDNHRTSA-N	323.368	1.225	50	20	DDGD	
N#Cc1ccc(C[C@@H](C#N)C(=O)NNc2ccnc(F)c2)cc1	792305471	AYURQEWWBJRNGS-ZDUSSCGKSA-N	309.304	1.918	50	20	DDGD	
Cc1nc2ccc(C(=O)NNc3ncnc4[nH]cnc34)cc2n1C	795115032	JOOHHNBWEOWCFO-UHFFFAOYSA-N	322.332	1.305	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNC(=O)c1ccccc1Cl	1325599414	HHKHSEDPSNLJFO-VIFPVBQESA-N	312.753	1.690	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2(C)COC(C)(C)OC2)cc1	1320623872	RZDVSLZVFPWFIC-UHFFFAOYSA-N	322.361	1.245	50	20	DDGD	
NCCCCNC(=O)NNC(=O)c1cc2c(s1)CCCCC2	1326134379	XBPDUYADTWXLSL-UHFFFAOYSA-N	324.450	1.700	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)C(F)=C1CCCC1	1323943738	OBHBOUVMMONRMC-UHFFFAOYSA-N	306.341	1.847	50	20	DDGD	
C[C@H]1CCN(CCNC(=O)NNC(=O)c2cccc(Cl)c2)C1	1334335629	KHHJQWNXYHSXLG-NSHDSACASA-N	324.812	1.626	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2ncc(C(C)C)s2)ncn1	1255785926	DVYGQRINTUTFRA-UHFFFAOYSA-N	320.378	1.447	50	20	DDGD	
CCOc1ccc(CCNC(=O)NNC(=O)c2ccc[nH]2)cc1	1263764688	PSLWHVFGKBDDJO-UHFFFAOYSA-N	316.361	1.600	50	20	DDGD	
COC(=O)[C@@H](O)CCNC(=O)CCCC[C@H]1CCSS1	1264014952	HNMQCROENDKMTF-QWRGUYRKSA-N	321.464	1.741	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@@H]2CCNC[C@@H]2C1	1263216188	CXVPHUMPVQOQKJ-QWHCGFSZSA-N	310.829	1.420	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NC[C@H]1CCCCCN1	1357741205	XJRHJAZDJQELJC-CYBMUJFWSA-N	322.384	1.231	50	20	DDGD	
O=C(Cn1cc(C2CC2)nn1)NNc1ccc([N+](=O)[O-])cc1F	1351075269	QTCRWUCBUFLCCS-UHFFFAOYSA-N	320.284	1.346	50	20	DDGD	
COC12CCC(C(=O)NNC(=O)c3ccc(C)o3)(CC1)C(=O)C2	1521244354	NZAKWINPBLZVEN-UHFFFAOYSA-N	320.345	1.267	50	20	DDGD	
Cn1cncc1CCC(=O)NNc1ccc(C(=O)O)cc1F	1600993825	ZMXXWCSFZGEWTF-UHFFFAOYSA-N	306.297	1.333	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NC[C@@H](CC(=O)O)C1CC1	1603470544	RTSJLILVSYTRKU-SECBINFHSA-N	301.343	1.226	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cccc(CC(=O)O)c2)n1	1600183237	VKXFUSSIZXUETG-UHFFFAOYSA-N	300.318	1.477	50	20	DDGD	
O=C(O)CC1CC(NC(=O)NNc2c(F)cc(F)cc2F)C1	1601943761	VRTDDHWANQZGAS-UHFFFAOYSA-N	317.267	1.983	50	20	DDGD	
N#Cc1ccc(CNC(=O)NNc2cccc(C(=O)O)c2)nc1	1608205201	XONRNMFGNWMKED-UHFFFAOYSA-N	311.301	1.478	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)c(O)c1	1600341378	ZKIDBMFIKQDLKZ-WDEREUQCSA-N	320.345	1.353	50	20	DDGD	
CC[C@H](C(=O)O)C(=O)NNC(=O)Cc1cccc2ccccc12	1604878607	SQGKPUVENIKPQX-ZDUSSCGKSA-N	314.341	1.641	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)N[C@@H]1CCNC12CCC2	1601558905	IFOHXGIBAQDCNS-GFCCVEGCSA-N	304.350	1.296	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2cc(F)ccc2C(=O)O)CC1	1610620852	WMUKNOYMOGGBNB-UHFFFAOYSA-N	310.306	1.368	50	20	DDGD	
C=CC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)C1CCNCC1	1574900058	NZSSIDPQVVSBNB-OCCSQVGLSA-N	308.426	1.451	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)C1=NO[C@@]2(CCCNC2)C1	1579614362	ZPSFKYZETBEUSN-HNNXBMFYSA-N	306.341	1.476	50	20	DDGD	
COc1cc(NNC(=O)NC[C@@H]2[C@H]3CNC[C@H]32)ccc1Cl	1579166998	UXJHRSCPCULHDM-URLYPYJESA-N	310.785	1.440	50	20	DDGD	
COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)C2(C)CC2)C1	1842587272	UQODDBYXDJUBNP-LLVKDONJSA-N	314.813	1.244	50	20	DDGD	
CC(=NNC(=O)c1ccccc1O)c1cccc(-c2nn[nH]n2)c1	1588776297	IJYQHXGDSLOYRQ-UHFFFAOYSA-N	322.328	1.726	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H](C)S)C2	1845167799	VEAAUFAXZVEOCC-VHSXEESVSA-N	304.843	1.526	50	20	DDGD	
C[C@@H](CBr)CN1CC[C@@H](n2cc(C(=O)O)nn2)C1	1592210476	CZBLSVFMKHHNFC-DTWKUNHWSA-N	317.187	1.254	50	20	DDGD	
O=C(NCc1ccccc1C(=O)O)NNc1cncc(Cl)n1	1594771836	BMLLYPSBIZUZEH-UHFFFAOYSA-N	321.724	1.655	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(C(=O)O)cc1F)[C@@H]1CCCNC1	1593101565	HIXOXRUPZDRDSU-GXSJLCMTSA-N	324.356	1.538	50	20	DDGD	
Cc1cccc(Br)c1NNC(=O)NCCC(=O)O	1594386149	CGLINPUQLSXOKC-UHFFFAOYSA-N	316.155	1.858	50	20	DDGD	
O=C(O)CC[C@H]1C[C@@H](C(=O)NNc2ccc(F)c(F)c2)CO1	1595002808	ADUDMNHVGVFCIH-SCZZXKLOSA-N	314.288	1.678	50	20	DDGD	
Cc1c(C(=O)O)cc(CNS(=O)(=O)CCCCl)n1C	1599994545	ZVQHRSTWJOMZLJ-UHFFFAOYSA-N	308.787	1.080	50	20	DDGD	
O=C(O)CCc1cccc(NC(=O)NNc2ccncn2)c1	1595064553	ZYDUFFBDWPYIGZ-UHFFFAOYSA-N	301.306	1.642	50	20	DDGD	
O=C(NNc1ccc(-c2ccccc2)nn1)[C@H]1CC[C@H]1C(=O)O	1594780559	XGSJXSGEAPGLKO-NWDGAFQWSA-N	312.329	1.698	50	20	DDGD	
CC(=NNC(=O)CNc1ccccc1)c1cncc(C(=O)O)c1	1776016150	ACKAXFBFZOLCOO-UHFFFAOYSA-N	312.329	1.732	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)c3cnn(C)c3)cc2C1	14936666	SKHVFQRLCLSIHJ-SECBINFHSA-N	318.402	1.681	50	20	DDGD	
COC(=O)NNC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1	158901920	FXAFKHOPDSRFGV-CYBMUJFWSA-N	309.341	1.567	50	20	DDGD	
CNC(=O)NNC(=O)Cc1ccc(OCc2ccccn2)cc1	160920310	APSUYTNJMYRJCD-UHFFFAOYSA-N	314.345	1.163	50	20	DDGD	
CN(C)CC(=O)NNC(=O)[C@@H](OC(C)(C)C)c1ccccc1	151519764	NFXVCYHAPFNXOE-AWEZNQCLSA-N	307.394	1.252	50	20	DDGD	
COc1cc(C#N)ccc1OCC(=O)NNc1cccc(C#N)c1	152253260	OSSXVNDSUKHMTE-UHFFFAOYSA-N	322.324	1.961	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)Cc2cc[nH]n2)ccc1[N+](=O)[O-]	153870044	JGJOCGFGKOOHOZ-UHFFFAOYSA-N	318.293	1.022	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCC(=O)NC2CCCC2)o1	155622685	YZCZQPPYEORXQB-UHFFFAOYSA-N	307.350	1.188	50	20	DDGD	
COc1ccc(NNC(=O)Cc2cnn(C)c2)c([N+](=O)[O-])c1	155326997	HYACMXWEYOWZNY-UHFFFAOYSA-N	305.294	1.023	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCCc1nc2cc(F)ccc2[nH]1	159762097	LGBGAWASRCRDDT-KTKRTIGZSA-N	302.309	1.805	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cnc(C2OCCO2)s1	495772879	AXGIGCNCWGDWQG-UHFFFAOYSA-N	315.351	1.358	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)CCl)CCN1C(=O)OC(C)(C)C	830691502	XBDAWXPYMUIQPT-VIFPVBQESA-N	312.819	1.454	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)Cn2nc(C)cc2C)s1	7961736	FZPOYUOVZHWIPC-UHFFFAOYSA-N	320.374	1.225	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)CCCc1ccccc1)N(C)C	106916848	JDDPNBFHSVENMK-MRXNPFEDSA-N	305.422	1.743	50	20	DDGD	
O=C(CC[C@H]1CCCO1)NNc1nc(-c2ccncc2)no1	102185894	MXRGHCXHYXMQDZ-LLVKDONJSA-N	303.322	1.534	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CCc1nccs1	55352205	DETXNEGIJGQPLM-UHFFFAOYSA-N	319.386	1.474	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCc2cccc(O)c2)n1	171125042	ZYHISNJJXLVNHL-UHFFFAOYSA-N	301.350	1.668	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1cccc(N2CCOCC2)c1	55010835	CRFZMNYCEYHYJE-OUKQBFOZSA-N	301.346	1.906	50	20	DDGD	
C[C@H](OCC1CC1)C(=O)NNC(=O)Cn1ccc2ccccc21	104632930	FKMZJMCRZQPECN-LBPRGKRZSA-N	315.373	1.604	50	20	DDGD	
C[C@@H](c1cc2ccccc2o1)N(C)CC(=O)NNC(=O)C1CC1	112976474	JKWCSYYJMBVNAV-NSHDSACASA-N	315.373	1.983	50	20	DDGD	
CCOCCNC(=O)NNC(=O)c1cccc2ncccc12	106526087	NIMDVIBOHBRQLG-UHFFFAOYSA-N	302.334	1.215	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1c[nH]c2cc(F)ccc12	101699207	UEJKUZGIKLKBLL-UHFFFAOYSA-N	306.366	1.531	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H](C2CCCCC2)N(C)C)nn1	106331542	XUFNLXSLXGSTMI-CQSZACIVSA-N	320.441	1.922	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(-n2ccnn2)cc1	119927861	LWJNUMOSAHYRMN-UHFFFAOYSA-N	302.338	1.011	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cc(F)c(F)cc2Cl)cn1	117683642	JUFRVMIEICDCND-UHFFFAOYSA-N	314.679	1.427	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)c2cnn(C)c2)cc1F	117952064	GDZJFGKVVHJNEV-UHFFFAOYSA-N	305.313	1.012	50	20	DDGD	
O=C(CCCCN1CCOCC1)NNc1cccc([N+](=O)[O-])c1	178863548	LYDPJQQCQGNVPP-UHFFFAOYSA-N	322.365	1.540	50	20	DDGD	
O=C(CC1CCC1)NNC(=O)c1nn(-c2ccccc2)cc1O	175075498	OSFPLIPWEYDXND-UHFFFAOYSA-N	314.345	1.529	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cccc3cccnc23)no1	64623547	DSVMFUKBFSNOGP-UHFFFAOYSA-N	311.301	1.998	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc(F)cc2Cl)nn1	123845310	NQDPDXLUCQHGDH-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCC(=O)OC(C)C	114163495	WJKIBKLXVFAPPI-UHFFFAOYSA-N	315.801	1.810	50	20	DDGD	
CCOCCCC(=O)NNc1nc2ccccc2c(=O)n1C	113187318	PKOCEEMXPPPDDC-UHFFFAOYSA-N	304.350	1.193	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)cc1	119934133	PHPJXPSQKDBCJT-AWEZNQCLSA-N	324.384	1.882	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)s1	119475982	IHWAWPWVLAWZRZ-NEPJUHHUSA-N	323.418	1.958	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cn1cnc(-c2ccccc2)n1	127721927	WZTBKSCCYPGBBQ-UHFFFAOYSA-N	316.365	1.076	50	20	DDGD	
CSCCCCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	129548680	KIBUYWVGVRTMEM-UHFFFAOYSA-N	311.363	1.889	50	20	DDGD	
CCn1nc(C(C)C)cc1C(=O)NNC(=O)c1ccccc1O	31818447	ZMMJFBILYBTQQW-UHFFFAOYSA-N	316.361	1.807	50	20	DDGD	
CS(=O)(=O)CCC(=O)NNc1ccc(-c2ccccc2)nn1	128182601	XSXUUBYIEDZRIT-UHFFFAOYSA-N	320.374	1.021	50	20	DDGD	
Cc1cc(F)ccc1NC(=O)C(=O)NNC(=O)CC1CCCC1	125903556	PCRGWUVMUDRBHD-UHFFFAOYSA-N	321.352	1.800	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H](C)CN2CCCCC2)n1	79297297	QSLSTHJQMROYQG-CYBMUJFWSA-N	306.414	1.594	50	20	DDGD	
Cc1csc(NC(=O)NNc2ccc(-n3cccn3)nn2)n1	126309751	RBRWPURACRYAMJ-UHFFFAOYSA-N	316.350	1.576	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2nnc(CC(C)C)s2)[nH]n1	182866223	GFFPGRDMNRZBTP-UHFFFAOYSA-N	323.382	1.235	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1)N(C)C	126323201	XNMLGHAGIXIXHL-MFKMUULPSA-N	311.357	1.081	50	20	DDGD	
O=C(NCCc1c(F)cccc1F)NNC(=O)c1ccc[nH]1	123281406	WXQRDPNFTLHNDK-UHFFFAOYSA-N	308.288	1.480	50	20	DDGD	
COc1ccc(C(C)=O)cc1CC(=O)NNc1ncc(F)cn1	122796790	FNQOTRYJRYDJGV-UHFFFAOYSA-N	318.308	1.513	50	20	DDGD	
COc1ccc(C)cc1CCNC(=O)NNC(=O)C(C)(C)C	121173428	WTZKQZWWJLHDOB-UHFFFAOYSA-N	307.394	1.923	50	20	DDGD	
O=C(NCCCN1CCCCC1)NNC(=O)c1ccccc1	78947020	AHKQAFBITFXCEC-UHFFFAOYSA-N	304.394	1.507	50	20	DDGD	
O=C(NCCCCC1CCCC1)NNC(=O)C(=O)N1CCCC1	74877543	VZWUAFWSBASNER-UHFFFAOYSA-N	324.425	1.300	50	20	DDGD	
C[C@@H]1CCCC[C@H]1OCC(=O)NNc1cc(Cl)nc(N)n1	133989064	JPMBMAWMOZEZQW-RKDXNWHRSA-N	313.789	1.751	50	20	DDGD	
Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NNC(=O)CN(C)C	75653911	ABIPYHPABXYHEN-CYBMUJFWSA-N	321.421	1.595	50	20	DDGD	
COCCO[C@@H]1CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1	187979915	VIHJLTHUJXHVNH-SCOADAFUSA-N	318.348	1.997	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1cn(-c2ccccc2)nn1	87101225	UXBFTGHTBAKZML-UHFFFAOYSA-N	316.365	1.144	50	20	DDGD	
C[C@H]1C[C@H](C)CN(CCCNC(=O)NNc2ncccn2)C1	46426868	CGDUTQSEBXRCLT-STQMWFEESA-N	306.414	1.471	50	20	DDGD	
CC(C)CN1N=C(C(=O)NNc2cccc(F)c2)CCC1=O	135000265	DPQRBDONJMFBIC-UHFFFAOYSA-N	306.341	1.903	50	20	DDGD	
CN(C)c1ccc(NC(=O)C(=O)NNc2ccnc(F)c2)cc1	190299615	MKTKKXIBZWTXHV-UHFFFAOYSA-N	317.324	1.369	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C/c2ccc(O)c([N+](=O)[O-])c2)n1	134499168	RRTFJSULNQXEIU-UXBLZVDNSA-N	313.273	1.580	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CC1OCCCO1)c1ccccc1	193221206	GDMBOPAKXCWAQR-ZDUSSCGKSA-N	306.362	1.481	50	20	DDGD	
O=C(NNc1ncccn1)Nc1ccc(-n2cccn2)c(F)c1	149177594	NFXVNAHVVUVPLM-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H]1CN(Cc2ccccc2)CCO1	265912751	RKJLKOMIRZFVHY-OAHLLOKOSA-N	319.405	1.081	50	20	DDGD	
C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NNc1cncc(Cl)n1	268116790	DXEUCXLFKBTGNQ-WPRPVWTQSA-N	310.789	1.239	50	20	DDGD	
Cc1c(NNC(=O)CCCC(=O)N(C)C)cccc1[N+](=O)[O-]	269636405	YTIMXCMHTBDZMQ-UHFFFAOYSA-N	308.338	1.605	50	20	DDGD	
CN(NC(=O)c1cccnc1N1CCOCC1)c1ccccc1	267683040	FJOXLBCQDVWESQ-UHFFFAOYSA-N	312.373	1.699	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C(C)(C)c2ccccc2)no1	265126465	JRNNCFWDPDOGIA-UHFFFAOYSA-N	301.346	1.651	50	20	DDGD	
CCN(CC)C(=O)CCCC(=O)NNC(=O)c1ccccc1C	263724388	YRXHYGMUIKNOHV-UHFFFAOYSA-N	319.405	1.795	50	20	DDGD	
CCOC[C@H](NC(=O)NNc1nc(C)cc(OC)n1)C(C)C	276866647	JBAWLPJTYFYAFR-NSHDSACASA-N	311.386	1.481	50	20	DDGD	
CCc1noc(CC)c1CNS(=O)(=O)CBr	272844648	UJFXEFJSJCYNAP-UHFFFAOYSA-N	311.201	1.571	50	20	DDGD	
C[C@H](NC(=O)[C@H](Br)C(C)(C)C)c1ncnn1C	276864547	KNVQPXBRIWUCEZ-YUMQZZPRSA-N	303.204	1.802	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](C)NC(=O)CC(C)(C)C)n1	275168364	RVDKKXCQEQQORF-JTQLQIEISA-N	323.397	1.178	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(OCC(F)F)ccn1	272665439	IUHYJJJFNMOTLI-UHFFFAOYSA-N	302.281	1.032	50	20	DDGD	
CC(C)(C)[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2)CCO1	279645247	BEWGLYHVQRUFLQ-AWEZNQCLSA-N	319.405	1.195	50	20	DDGD	
CC1(C)COc2c(C(=O)NNC(=O)N3CCOCC3)cccc21	279138315	ZMRFIDYUUXTBIV-UHFFFAOYSA-N	319.361	1.043	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCCOC1	272604234	FUCKBKYKGOMWKD-AWEZNQCLSA-N	307.306	1.173	50	20	DDGD	
CCCCOc1cc(OC)ccc1C(=O)NNC(=O)C(C)(C)O	277955814	LXXWSZBZSWBNAO-UHFFFAOYSA-N	324.377	1.406	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc(OC2CCCC2)cc1	274019094	DRXPCHPQGJEKMX-UHFFFAOYSA-N	305.334	1.114	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H](c2nncn2C)C(C)C)n1	287003992	RBTVKNNLGCMTOP-LLVKDONJSA-N	318.385	1.245	50	20	DDGD	
C[C@H]1CCC[C@@H](NC(=O)NNc2ccc(-n3ccnc3)nn2)C1	286468428	BKRMZGVNEMWCCY-NWDGAFQWSA-N	315.381	1.867	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)cc1	282100808	HMQWNYHMLGECOP-TYNCELHUSA-N	305.378	1.368	50	20	DDGD	
COC(=O)c1c(C)[nH]c(C(=O)NNc2ncccc2F)c1C	804216159	BDYVPCJMDYCGQJ-UHFFFAOYSA-N	306.297	1.709	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)CSC(F)F)c1	299229540	CSPTXOHWPHIBFF-UHFFFAOYSA-N	318.345	1.785	50	20	DDGD	
C=C(CNC(=O)NNC(=O)Cc1ccncc1)c1ccccc1	807579416	SMXLVAFYHRUDOL-UHFFFAOYSA-N	310.357	1.668	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1cc2c(C)nn(C)c2s1	807965794	KJYOZKPJBDZVSQ-UHFFFAOYSA-N	321.406	1.709	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2ncc(F)cc2F)CN1C1CC1	298133438	ZZDWURUUTVUVAA-PSASIEDQSA-N	311.336	1.611	50	20	DDGD	
C[C@H](C(=O)NNC(=O)N(C)C)c1cccc(Br)c1	291904947	LPSHAHYSTCOPON-QMMMGPOBSA-N	314.183	1.855	50	20	DDGD	
COc1cccc(NCC(=O)NN=Cc2cc(F)ncc2F)c1	807957828	ZUARVCCMHFHQCI-UHFFFAOYSA-N	320.299	1.931	50	20	DDGD	
CCn1nc(C)c(NC(=O)C(=O)NNc2ncccc2F)c1C	807301848	RZPJICZWRXVOIF-UHFFFAOYSA-N	320.328	1.136	50	20	DDGD	
C[C@H]1CC(=O)CC[C@@H]1C(=O)NNc1ccc2c(=O)[nH]ccc2c1	803436243	XIEMIDRTQUYXAJ-HZMBPMFUSA-N	313.357	1.977	50	20	DDGD	
COCC(C)(C)CNC(=O)NNC(=O)Cc1ccc(F)cc1	291926571	SGORJVUFYXRRKG-UHFFFAOYSA-N	311.357	1.371	50	20	DDGD	
CC[C@H](CC1CCCC1)C(=O)NNC(=O)N1CCN(C)CC1	807383023	YVWCLEULVWSURW-CQSZACIVSA-N	310.442	1.581	50	20	DDGD	
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ncncc1F	293935625	HYXPILQKZWBXET-VIFPVBQESA-N	313.333	1.362	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC=CO1)Nc1ccc2c(c1)OCO2	802095652	AAUSUCQDPRKOBV-LLVKDONJSA-N	305.290	1.261	50	20	DDGD	
CCCN1CC[C@@H](CNC(=O)NNc2ncc(F)cc2F)C1	296481244	NEOCBSAUBWLEIL-JTQLQIEISA-N	313.352	1.718	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc2cc(OC)ccc2nc1C	804125641	ZTJNGVUFZGPREP-UHFFFAOYSA-N	303.318	1.895	50	20	DDGD	
CC(=O)c1ccc(CC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	295392260	LNWLWGWTSXJHFT-AWEZNQCLSA-N	304.346	1.148	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccnc(C(F)(F)F)c1	808384771	LCZACUCTEUXIHI-UHFFFAOYSA-N	304.272	1.845	50	20	DDGD	
Cn1cc(C(=O)CCC(=O)NNC(=O)Nc2ccccc2)cn1	801986524	OTLCQHJKUGDJRU-UHFFFAOYSA-N	315.333	1.236	50	20	DDGD	
O=C(NNc1cccc(F)c1F)c1cnc2[nH]c(O)nc2c1	809697375	FWPXLJCNZXCXBK-UHFFFAOYSA-N	305.244	1.699	50	20	DDGD	
Cc1c(NNC(=O)NCCC2(O)CCC2)cccc1[N+](=O)[O-]	807266357	UYJWFAGPGGEENK-UHFFFAOYSA-N	308.338	1.834	50	20	DDGD	
Cc1nn(C(C)(C)C)cc1C(=O)NNC(=O)N=c1cc[nH]cc1	802029894	VXZDNIOZDRSCFU-UHFFFAOYSA-N	316.365	1.230	50	20	DDGD	
O=C(Cc1n[nH]c2ccccc12)NNc1ncccc1[N+](=O)[O-]	807061366	KUDFIPZDGNVFJB-UHFFFAOYSA-N	312.289	1.552	50	20	DDGD	
CSC[C@@H](C)NC(=O)NNc1ccc(-n2ccnc2)nn1	805135170	OWJHUXBHGLTWOS-SECBINFHSA-N	307.383	1.040	50	20	DDGD	
O=C(NN=C1CCOC[C@@H]1CN1CCCCC1)c1ccnnc1	817340965	WPQMTWWIZSJARU-AWEZNQCLSA-N	317.393	1.085	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2ncn(C(C)(C)C)n2)c1	812535022	VJLREOVEGIQKHI-UHFFFAOYSA-N	307.329	1.938	50	20	DDGD	
CN(NC(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)C1CC1	819650034	DRZSWMRQJQQTDA-SECBINFHSA-N	309.316	1.443	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)O)CCC1=NNC(=O)CNC(=O)c1ccco1	814826965	OQEKGZLDKZDACB-UWVGGRQHSA-N	321.333	1.002	50	20	DDGD	
CCOc1ccc(NNC(=O)c2cccc(C(N)=O)n2)cc1	817890225	VTEUDYUZGIISEB-UHFFFAOYSA-N	300.318	1.336	50	20	DDGD	
CNS(=O)(=O)c1cccc(C(=O)NCC(Cl)Cl)c1	816604204	BAEADLCGKMKJCP-UHFFFAOYSA-N	311.190	1.128	50	20	DDGD	
Cc1ccc(Cl)c2c1NC(=O)C2=NNC(=O)Cc1cc[nH]n1	814957402	QGGXTCBQOHDCBL-UHFFFAOYSA-N	317.736	1.387	50	20	DDGD	
CN(C)C(=O)COc1ccccc1C(=O)NCCCSC#N	816538728	CXHVVPGMUNIHET-UHFFFAOYSA-N	321.402	1.488	50	20	DDGD	
O=S(=O)(CCCCCl)N1C[C@@]2(CCCO2)[C@@H]1C1CC1	815104536	MYDXPTMHLUCUEO-STQMWFEESA-N	307.843	1.979	50	20	DDGD	
CN1CCN(C(=O)NN=C2Cc3[nH]c4ccccc4c3C2)CC1	814912635	ZQNYGTUPQYTXNW-UHFFFAOYSA-N	311.389	1.580	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=c1c(=O)c2cccc3cccc1c32	815000174	HJRGJNGSTRHCNO-UHFFFAOYSA-N	316.320	1.683	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](C)c1ccc2c(c1)OCO2	815505980	GANGLRAJMRWQDS-QMMMGPOBSA-N	316.317	1.012	50	20	DDGD	
O=C(NNc1ncncc1F)C1=Cc2cc(F)ccc2OC1	817083311	GNVHMCPNOQUHBI-UHFFFAOYSA-N	304.256	1.674	50	20	DDGD	
CC(C)Cc1nc(C(=O)NNC(=O)c2ccnnc2)cs1	817693632	NUTQDIWSKZHSEB-UHFFFAOYSA-N	305.363	1.206	50	20	DDGD	
O=C(NNc1nc(Br)cn2ccnc12)C(F)F	810484841	NGRHPSKUZSIUGP-UHFFFAOYSA-N	306.070	1.200	50	20	DDGD	
CSCc1cnc(C=NNC(=O)CN2CCCC2=O)s1	814760762	FNLCVMIVHZKNOA-UHFFFAOYSA-N	312.420	1.079	50	20	DDGD	
O=C(NNc1ncncc1F)Nc1cnn(-c2ccccc2)c1	814646877	VZYHSAIFNTZTDA-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2cn(CC)nn2)cc1C	819989305	RLLMLCBFFDKJIQ-UHFFFAOYSA-N	317.349	1.540	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cc(C(=O)OC)ccc1O	726736238	FXTZVUICFBNKQH-UHFFFAOYSA-N	321.377	1.361	50	20	DDGD	
N#Cc1cccc(C(=O)NN=C2C(=O)Nc3cc(F)ccc32)c1	728781762	XVWAZBNHOZEIIA-UHFFFAOYSA-N	308.272	1.784	50	20	DDGD	
CC(C)Cn1cccc(C(=O)NN[C@H](C)C(F)(F)F)c1=O	826941938	LGZYVAFOQJSLPF-SECBINFHSA-N	305.300	1.690	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CCN2C2CCCC2)nc1	821354812	OILLAAGOZZYEDQ-ZDUSSCGKSA-N	318.377	1.328	50	20	DDGD	
CCC[C@H](O)CC(=O)NNC(=S)NCCc1cccs1	820168514	BXWSJEKGDCNYHI-JTQLQIEISA-N	315.464	1.337	50	20	DDGD	
Cc1nn(C)cc1CC(=O)NNC(=O)c1cc2c(s1)CCC2	822201409	FKWPAPDFGJYZIL-UHFFFAOYSA-N	318.402	1.282	50	20	DDGD	
CCOC(=O)N[C@H](C(=O)NNc1cccc(OC)n1)C(C)C	495205709	GXHAZYAFALLRRO-LBPRGKRZSA-N	310.354	1.304	50	20	DDGD	
COc1ccc([C@H](C)NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	825808392	VKGVZFPTXYNPTD-WDMOLILDSA-N	321.377	1.512	50	20	DDGD	
O=C(NNC(=O)c1cc[nH]n1)Nc1ccc(OCC2CC2)cc1	821085856	KAGUWPCOULCTAW-UHFFFAOYSA-N	315.333	1.665	50	20	DDGD	
CCOC(=O)C1(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)CC1	491173662	DPNXFOPXAUESKA-LCYFTJDESA-N	314.341	1.759	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1CCc2cccc(F)c2C1	827276021	XYUQLJWZHQKRMU-ZYHUDNBSSA-N	321.352	1.350	50	20	DDGD	
CCOC(=O)N[C@H](C(=O)NNc1ccc(Cl)nn1)C(C)C	491453668	XKJHDDCGIJKCFA-JTQLQIEISA-N	315.761	1.344	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)Cn1ccc2ccccc21)C(C)C	490995342	IXGYBQFJFDZIGZ-AWEZNQCLSA-N	312.373	1.630	50	20	DDGD	
O=C(CCCCN1CCCC1)NNC(=O)NCc1ccco1	729343077	GRWPKWZBTMSJIY-UHFFFAOYSA-N	308.382	1.376	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC[C@@]1(C)Cc1ccccc1	828912409	YNQBXLGXAUXHAD-SFHVURJKSA-N	317.433	1.887	50	20	DDGD	
CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)NN(C)[C@@H](C)CO	823959807	PVOQNNRRMPYSTE-NHYWBVRUSA-N	317.430	1.414	50	20	DDGD	
CN(CC(=O)NNc1cnccn1)C(=O)OCc1ccccc1	496123781	PAWUNVZRFFDBRI-UHFFFAOYSA-N	315.333	1.188	50	20	DDGD	
COc1ccc(CN(C)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	827315966	XCWWRDCCAXPPOM-RISCZKNCSA-N	321.377	1.293	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)/C=C/Sc1cc(F)ccc1F	823927848	HMZZLVYCBIPPLV-CYNONHLPSA-N	302.346	1.914	50	20	DDGD	
OB(O)c1ccccc1CNC[C@H]1CCCN1Cc1ccccc1	585030155	XENIUYNEBBIFRV-GOSISDBHSA-N	324.233	1.121	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1c[nH]nc1-c1cc2ccccc2o1	823935374	QOKBPOIZROPDFD-SNVBAGLBSA-N	314.345	1.780	50	20	DDGD	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)C(C)C	497189408	GPDTZFMJWUNYFJ-ZDUSSCGKSA-N	321.377	1.147	50	20	DDGD	
C[C@@H]1N(C(=O)c2cccc(B(O)O)c2)c2ccccc2C1(C)C	585006437	VXQRDPVUVDOKIH-LBPRGKRZSA-N	309.174	1.693	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@@H]1CCCC[C@@H]1c1cccnc1	584910773	DIPRBRWOMZRAAK-IAGOWNOFSA-N	324.189	1.674	50	20	DDGD	
CC(C)[C@@H](NC(=O)O)C(=O)NNc1ncnc2ccsc12	824135248	DIGUDYIIHILRBK-MRVPVSSYSA-N	309.351	1.427	50	20	DDGD	
CC(C)Oc1ccc(CCNCc2cccc(B(O)O)c2)cc1	585014347	ONVXMSSCBWZPEG-UHFFFAOYSA-N	313.206	1.486	50	20	DDGD	
CC(C)C[C@H](C)CC(=O)NNC(=O)CNC(=O)OC(C)(C)C	494452103	JGYLMOKYABUEOH-NSHDSACASA-N	315.414	1.731	50	20	DDGD	
C[C@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)[C@@H](O)Cc1ccccc1	491088254	YZROJDQQRDOVFW-BCCLAGOXSA-N	324.384	1.435	50	20	DDGD	
C[C@@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)c2ccccc21	584973908	DTBMEZJGXVOUMQ-CYBMUJFWSA-N	309.174	1.911	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@H]2CSCCS2)cn1	491103752	LUFHDCCBFDGNLA-QNCMIEPLSA-N	308.432	1.292	50	20	DDGD	
CCOC(=O)N[C@@H](C(=O)NNC(=O)c1ccccc1)C(C)C	490576099	JWQKUZSMYQTWIO-GFCCVEGCSA-N	307.350	1.218	50	20	DDGD	
CCCOc1cc(C)ccc1CNCc1ccc(B(O)O)o1	585027938	BDBJKQYGARQSJG-UHFFFAOYSA-N	303.167	1.346	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cnc(-c2ccccc2F)s1	823964847	FDGUJKXVJVXHRF-VIFPVBQESA-N	309.366	1.907	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1	494658927	JZKFQONZDKERMW-GFCCVEGCSA-N	309.322	1.637	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)/C=C\c2ccc[nH]2)c1	492004288	BQMBAOYCSXOJOX-FPLPWBNLSA-N	313.357	1.871	50	20	DDGD	
CCOc1c(Cl)cccc1CC(=O)N1CC[C@H](B(O)O)C1	585064416	PUFZGGJMERGHEH-NSHDSACASA-N	311.574	1.357	50	20	DDGD	
O=C(NCC1CCSCC1)NNC(=O)c1ccccc1O	733653336	GFJYSFHNIMEDHI-UHFFFAOYSA-N	309.391	1.479	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)Oc1ccccc1F)c1cnccn1	734747305	WSGHLENVZIJMPR-LLVKDONJSA-N	302.309	1.923	50	20	DDGD	
NC(=O)NNc1nc(-c2ccc(N3CCOC3=O)cc2)cs1	495775529	CFVVDCSUKYEGJW-UHFFFAOYSA-N	319.346	1.762	50	20	DDGD	
Cc1ccc(C=NNC(=O)NCCNC(=O)OC(C)(C)C)cn1	495404760	VUUDGZSQPATRGK-UHFFFAOYSA-N	321.381	1.548	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H](C)N(C(=O)OC(C)(C)C)C1CC1	496840683	QNKQBNBVWJGAKG-SECBINFHSA-N	315.370	1.504	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@H](O)C(C)(C)C)cc1OC	735836101	DERRZQMXPROQPA-CYBMUJFWSA-N	324.377	1.262	50	20	DDGD	
COc1ccc(C=NNC(=O)c2cc(C)[nH]n2)c(OC)c1OC	585657356	JLTCTAAUJDYHNW-UHFFFAOYSA-N	318.333	1.508	50	20	DDGD	
CCCn1ncc(NCc2ccc(B(O)O)cc2F)c1C1CC1	585043627	PNWAGYUADZELFL-UHFFFAOYSA-N	317.173	1.602	50	20	DDGD	
O=C(CCc1ccccc1Cl)NNC(=O)[C@H]1CCCCO1	833256430	NKLQQVVOEKBOAQ-CYBMUJFWSA-N	310.781	1.989	50	20	DDGD	
COc1cc(C=NNC(=O)c2c[nH]nc2C)cc(Cl)c1O	735410399	CUTVPIJEKGAQOE-UHFFFAOYSA-N	308.725	1.850	50	20	DDGD	
C[C@]1(C(=O)NCC(=O)Nc2cccnc2)C[C@H]1Br	906498898	CFPDIIINUPVISS-SKDRFNHKSA-N	312.167	1.310	50	20	DDGD	
CCCC[C@H](OC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)OC	837971109	LUHFQKYODZSHHS-WHGQRRHOSA-N	305.334	1.602	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@H]2CCCC[C@@H]2O)c(F)c1	837206626	OYXWFFJUERUAHQ-YGRLFVJLSA-N	324.352	1.997	50	20	DDGD	
Cc1ccc(CN(C(=O)c2ccc(B(O)O)cc2)C(C)C)o1	584933197	YANXGUCXDBRECT-UHFFFAOYSA-N	301.151	1.319	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC(C)(C)OC)c1F	838499127	ZLBMLDBWDSVJAG-UHFFFAOYSA-N	313.329	1.663	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1nc(CC(F)(F)F)cs1	836708406	LYNQDPUEHLWTAW-UHFFFAOYSA-N	308.285	1.811	50	20	DDGD	
O=C([C@@H]1CCCCN1Cc1ccccc1)N1CC[C@@H](B(O)O)C1	585070532	ZFYSFCVMQCQPFZ-CVEARBPZSA-N	316.210	1.116	50	20	DDGD	
C=CCN1CCC(NC(=O)NNc2cccc(C(=O)O)c2)CC1	833377472	YWINLCCEDZUXFK-UHFFFAOYSA-N	318.377	1.661	50	20	DDGD	
CC(=O)Nc1ccsc1C=NNC(=O)Cn1nc(C)cc1C	735409172	SOLXBGATFVYPAY-UHFFFAOYSA-N	319.390	1.670	50	20	DDGD	
CO[C@](C)(CNC(=O)NNC(=O)C1CCC1)c1ccccc1	836589420	HHXWLVLLUNDQFZ-MRXNPFEDSA-N	305.378	1.679	50	20	DDGD	
CN1CCCC[C@@H]1C(=O)NNC(=O)c1cc(Cl)ccc1O	732262529	BUOHGSCXGGXDJU-LLVKDONJSA-N	311.769	1.291	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1	833010846	XKTURWDUKNVBNS-RKDXNWHRSA-N	311.363	1.104	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](O)C2CCCCC2)c(F)c1	837208344	XVAIFJXDRMJIHS-CQSZACIVSA-N	324.352	1.997	50	20	DDGD	
O=C(c1ccc(Oc2cccnc2)cc1)N1CC[C@@H](B(O)O)C1	585069046	HTHHYXMEHWLBBO-CYBMUJFWSA-N	312.134	1.563	50	20	DDGD	
C[C@H](C[C@@H](O)c1ccccc1)NCc1ccc(B(O)O)cc1F	585033786	GEFFYLPCIZFXLD-SJKOYZFVSA-N	317.169	1.107	50	20	DDGD	
C[C@H]1c2ccc(F)cc2CCN1CC(=O)NNC(=O)C1CC1	738340471	NCPRWGULKIKKTA-JTQLQIEISA-N	305.353	1.302	50	20	DDGD	
CC[C@H](COC)NC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836316823	AXMJFLPHZLZYEL-SECBINFHSA-N	324.337	1.176	50	20	DDGD	
CC(C)Oc1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)ccn1	831700270	BVVCMOPEENIBNI-CMPLNLGQSA-N	322.365	1.447	50	20	DDGD	
CSCCNC(=O)NNc1cccc(Br)n1	838178438	KMINMWKUMAAIMJ-UHFFFAOYSA-N	305.201	1.833	50	20	DDGD	
CCN1CCC(N(C)S(=O)(=O)CC(C)(C)CCl)CC1	866452828	CFXZMFNWDNLHDC-UHFFFAOYSA-N	310.891	1.997	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CN2CCC(C)CC2)cc1F	837050289	HHCAEGHOUOJXHP-UHFFFAOYSA-N	323.368	1.787	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C2=C(C)CCC2)c1	746781069	KXQGTGUFRJNKAG-UHFFFAOYSA-N	304.346	1.965	50	20	DDGD	
Cc1cc(/C=C(\C#N)C(=O)OCCO)c(C)n1C[C@H]1CCCO1	912618329	PQUWZZKDGTZTNJ-HTRKUNOGSA-N	318.373	1.726	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)Nc2cccc(NC(=O)NN(C)C)c2)CO1	843870062	MPOCCISZHROJHF-MNOVXSKESA-N	306.366	1.648	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccn2)no1)NC1CCCC1	746174865	VLIVNESUMRIOEB-UHFFFAOYSA-N	315.333	1.623	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cnc3c(cnn3C)c2)cc1	747294820	HAPXLLJFTITDGN-UHFFFAOYSA-N	323.356	1.606	50	20	DDGD	
Cc1c(C(=O)NNc2cccc(Br)c2)nnn1C	748022090	OYTYSZOYMCIJHX-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
CC(C[C@H]1CCCC(=O)N1)=NNC(=O)[C@@H](C)CN1CCCCC1	841615206	XXTGTMXKWZYZJJ-DZGCQCFKSA-N	322.453	1.659	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1csc2c1CCCC2	843971449	BETNIWJYUFFRDR-ZJUUUORDSA-N	308.403	1.813	50	20	DDGD	
O=C(CN1CC[C@H]1c1ccccc1)NNC(=O)c1cccs1	747620372	ZVDDPXKKFWTQMI-ZDUSSCGKSA-N	315.398	1.956	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NNC(=O)CCCN	841213145	VLAHODLOAGJZMR-UHFFFAOYSA-N	309.326	1.103	50	20	DDGD	
CCNC(=O)NN=Cc1cc2c(cc1OC(F)F)OCO2	741762307	MICPISHOTFQCBN-UHFFFAOYSA-N	301.249	1.670	50	20	DDGD	
CC[C@@H](Cc1ccccc1)C(=O)NNc1nccn(C)c1=O	747946117	TWWHEEFXNVESKN-ZDUSSCGKSA-N	300.362	1.492	50	20	DDGD	
CC(C)N1C[C@@H](NC(=O)NNc2cc(F)ccc2F)CC1=O	919710776	XRLNOHMELSLPLZ-JTQLQIEISA-N	312.320	1.600	50	20	DDGD	
O=C(NNc1c(F)cccc1F)[C@@H]1CCc2nnnn2CC1	845854330	CHOUQUKNQVRZDO-MRVPVSSYSA-N	308.292	1.047	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@H]1c1ccccc1)c1ncccn1	841593704	KAZALULGKWCORI-ZDUSSCGKSA-N	311.345	1.668	50	20	DDGD	
CC(C)N(C[C@@H](O)CO)S(=O)(=O)c1ccc(CCl)cc1	916452990	IAVPVQJLVVVRJG-GFCCVEGCSA-N	321.826	1.178	50	20	DDGD	
N[C@@H](CNC(=O)NNc1ccccc1OC(F)(F)F)C1CC1	841966336	UNJMDOSGMLPHGB-VIFPVBQESA-N	318.299	1.949	50	20	DDGD	
N#CC1(CNC(=O)NNC(=O)Nc2cc(F)cc(F)c2)CCC1	842198262	HPPIBRCXEMASOS-UHFFFAOYSA-N	323.303	1.994	50	20	DDGD	
COCCCNC(=O)NN=Cc1cccc2c1OC(F)(F)O2	841622112	SRUCHTUPRKCNBV-UHFFFAOYSA-N	315.276	1.678	50	20	DDGD	
CCCCSCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	914466212	HUBXSCZRCLDPPC-LLVKDONJSA-N	308.469	1.012	50	20	DDGD	
Cc1oc2ncn(C)c(=O)c2c1C(=O)NNc1cccc(C#N)c1	748044645	UUXWUHKFJQICBZ-UHFFFAOYSA-N	323.312	1.464	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@H](C)c1ccco1	741660465	POSHANAHUGZRGS-NSHDSACASA-N	318.329	1.618	50	20	DDGD	
C#CCNC(=O)[C@H](C)OC(=O)/C(C#N)=C/c1cccc(OC)c1	744568059	OGDUQSGKHSCELN-IGVUGNCQSA-N	312.325	1.283	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)OC	928321460	FAYQHBFGEMBDPU-HCYCVZQXSA-N	320.320	1.470	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(F)c(F)cc1F)[C@@H](C)S(C)(=O)=O	841409279	RRXXZALQUVPTEW-RNFRBKRXSA-N	324.324	1.616	50	20	DDGD	
CC(C)Cc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc(O)n1	843657065	OAYIIZJKSNTSAG-ZWNOBZJWSA-N	321.377	1.172	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=S)Nc1ccc2c(c1)OCO2	843277350	OYNLTBRYMVGRLO-SCZZXKLOSA-N	323.374	1.158	50	20	DDGD	
O=C(Cc1cccc2cccnc12)NNC(=O)C1CCOCC1	923066570	KZSRQECXISELSD-UHFFFAOYSA-N	313.357	1.351	50	20	DDGD	
O=C(CCc1nc2ccccc2o1)NNC(=O)NCC1CC1	920860180	KTJNUAZCHZEIPE-UHFFFAOYSA-N	302.334	1.501	50	20	DDGD	
CO[C@@H](C=NNC(=O)CNC(=O)c1cccs1)CC(C)C	841623311	GGVFSAKVRNVZRX-LLVKDONJSA-N	311.407	1.641	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H]2C(=O)N(CCSSC)C(=O)N2C1	925339003	OMTNVLKFTGKVDT-BDAKNGLRSA-N	318.420	1.213	50	20	DDGD	
Cc1csc(CC(=O)NN=C2C(=O)Nc3c(F)cccc32)n1	753955925	RPEOZDLKWFASPI-UHFFFAOYSA-N	318.333	1.606	50	20	DDGD	
CC(=O)NNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21	929181762	HAMAUJQMVIQSTA-GFCCVEGCSA-N	319.361	1.693	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1csc2cncn12	759289989	IHVGZQCHZNZURA-UHFFFAOYSA-N	304.291	1.456	50	20	DDGD	
O=C(CCCc1ccc2c(c1)OCCCO2)NNC(=O)C1CC1	858122271	RGCMSECEAUUBBB-UHFFFAOYSA-N	318.373	1.728	50	20	DDGD	
O=C(CN1CCCCCC1=O)NNc1ccc([N+](=O)[O-])cc1F	855621720	NCMDXIXVDNWKTI-UHFFFAOYSA-N	324.312	1.580	50	20	DDGD	
O=C(NNc1ccncn1)N[C@@H]1CCN(C2CCCCC2)C1	852587174	TYBUADSFACVLOH-GFCCVEGCSA-N	304.398	1.510	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2ccncc2)c2[nH]ncc12	756523376	DFYCXYCKXWSIKY-UHFFFAOYSA-N	310.317	1.733	50	20	DDGD	
C[C@]1(CN2C(=O)[C@H]3CSCN3C2=O)C[C@@H]1Br	925006338	WDJUVXRBMVIDMF-MATHAZKKSA-N	305.197	1.497	50	20	DDGD	
O=C1CCCN1C[C@@H]1CCN(S(=O)(=O)CCCCCl)C1	851836043	MGKNYAOFAPTWIK-LBPRGKRZSA-N	322.858	1.280	50	20	DDGD	
CN(NC(=O)Nc1ccc2c(c1)C(=O)NC2=O)c1ccccc1	920939285	DJAVCCNBKIPUHD-UHFFFAOYSA-N	310.313	1.743	50	20	DDGD	
C#CCOc1cccc(NC(=O)NNC(=O)c2cccn2C)c1	756478110	CZVKQGKWOIWRDM-UHFFFAOYSA-N	312.329	1.504	50	20	DDGD	
C[C@@H](Cn1cccn1)NC(=O)NNC(=O)CCc1ccccc1	750324607	KJMFMEIROWPFEE-ZDUSSCGKSA-N	315.377	1.235	50	20	DDGD	
CCOC(=O)NN=C(C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	853257734	KQAORJBXMHMCPM-LLVKDONJSA-N	315.370	1.744	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)c2cnco2)cc1OC	758098834	DKLBXSACCJCZFH-UHFFFAOYSA-N	305.290	1.157	50	20	DDGD	
CC(=O)CCCCCCC(=O)NNC(=O)c1cccc(F)n1	856423016	KFXUBARWIKKYMO-UHFFFAOYSA-N	309.341	1.911	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccsc1Cl	854286346	YLEGPZIYSOIAPR-UHFFFAOYSA-N	321.855	1.889	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cn1cc(C2CC2)cn1)C1CC1	855095414	NLQORAMJLPSVIO-VIFPVBQESA-N	307.423	1.054	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cc2cccc(F)c2F)nc1	759740731	WRRWSQLMXGPFDP-UHFFFAOYSA-N	321.283	1.832	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccc(Cl)c1)[C@@H]1CCC(=O)N1	858132758	KAIBJICGQOLCQI-KWQFWETISA-N	309.753	1.016	50	20	DDGD	
Cc1cc(=NC(=O)NNC(=O)c2cc3c(s2)CCC3)cc[nH]1	757808283	UIGLEUOAWJLSNK-UHFFFAOYSA-N	316.386	1.829	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)CN2CCCC2=O)C[C@@H]1C	758099895	OKVRLJQMLOOEIR-WCQYABFASA-N	323.393	1.080	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@@H]2C[C@H](C)O[C@H]2C)c1	858540624	KEWQSLOZWZIWRE-DCAQKATOSA-N	311.407	1.814	50	20	DDGD	
Cc1nc(C(=O)NNC(=S)N[C@H](C)C2CC2)c2ccccn12	855100554	FBRWEQIPAVYZJS-SECBINFHSA-N	317.418	1.550	50	20	DDGD	
CN(C)C(=O)CCCNC(=O)NC[C@@]1(C)C[C@@H]1Br	856827759	VDOSHMUZQBZKCH-JOYOIKCWSA-N	320.231	1.328	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2nc(Cl)ccc2F)c(O)c1	759770714	JDGYVZPFNDBMGN-UHFFFAOYSA-N	323.711	1.963	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N(C)CCn2cccn2)c1	858705923	OFHVXONZPAWVPR-UHFFFAOYSA-N	307.379	1.239	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)NCC1=CCCC1	851914872	DBAIBKYUWJAMLH-UHFFFAOYSA-N	319.361	1.515	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc2c(c1)CCN2C	752733711	IGODAACJRCSIGL-UHFFFAOYSA-N	316.405	1.434	50	20	DDGD	
C[C@]1(CNC(=O)N[C@H]2CC23CCNCC3)C[C@@H]1Br	857106414	MMOIVHDFYBJEFN-JBLDHEPKSA-N	316.243	1.601	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	765970364	KKYFLDNTVYHMDH-UXBLZVDNSA-N	321.245	1.600	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CCC(C)(C)C2)n1	769010589	CMHGKOYURCKZMG-GFCCVEGCSA-N	307.398	1.409	50	20	DDGD	
C[C@H](NNC(=O)c1cc(-c2ccncc2)on1)C(F)(F)F	862308629	CFFBFLNCFFKVBQ-ZETCQYMHSA-N	300.240	1.922	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)c2cc(C)[nH]n2)c(Cl)c1	765588464	PKJBRHRQMZTLGE-UHFFFAOYSA-N	306.753	1.684	50	20	DDGD	
CCOC(=O)N1CSC[C@@H]1C(=O)NCCSSC	935872801	OLNMNHWHXKDRPS-MRVPVSSYSA-N	310.466	1.645	50	20	DDGD	
COc1cccc(C[C@H](O)C(=O)NNc2cccc(C)n2)c1	862521145	RVUUUPPOUUGQEC-AWEZNQCLSA-N	301.346	1.445	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cnn(C3CC3)c2)n1	863897079	SDBKMWODBKKMOV-UHFFFAOYSA-N	315.381	1.611	50	20	DDGD	
CC[C@@](C)(O)C(=O)NNC(=S)Nc1ccc(OC)c(F)c1	935795291	KEXKLCJNGDKDFE-CYBMUJFWSA-N	315.370	1.313	50	20	DDGD	
Cc1cccc(NNC(=O)C(=O)Nc2cc3n(n2)CCCC3)n1	861959284	BELSFUBANPUVLN-UHFFFAOYSA-N	314.349	1.005	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NNC(=O)c1c[nH]c2ccccc12	862993934	QXHYBFJMMRNXGD-CQSZACIVSA-N	314.389	1.802	50	20	DDGD	
CCCNC(=O)NNC(=O)C[C@@H]1COc2cc(OC)ccc21	760383242	XNADHGZJAXNFGP-SNVBAGLBSA-N	307.350	1.302	50	20	DDGD	
CC(=O)NNC(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1	765181364	OBLNCRPSMXMVDQ-LLVKDONJSA-N	311.313	1.556	50	20	DDGD	
CCCN(NC(=O)[C@@H](NC=O)C(C)C)C(=O)OC(C)(C)C	861676813	ALBORJARONBHBH-NSHDSACASA-N	301.387	1.435	50	20	DDGD	
CCC(=O)c1ccc(C(=O)NNC(=O)c2c[nH]nc2C)cc1	760551643	NLTXPNZVSTZBSQ-UHFFFAOYSA-N	300.318	1.386	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cn(C)nc1-c1cccs1	768945099	OIFHJZIRIOYGIZ-UHFFFAOYSA-N	307.379	1.503	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccc(-c2cccc(F)c2F)o1	1116760616	NKYFMAUEKBPYIS-UHFFFAOYSA-N	308.240	1.848	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)C1SCCS1	761137001	GXXAPSLPXDCJOD-UHFFFAOYSA-N	322.415	1.210	50	20	DDGD	
O=C(NNc1cnccn1)Nc1ccccc1Cn1cncn1	769974951	CPKPFSRWGLTJNV-UHFFFAOYSA-N	310.321	1.265	50	20	DDGD	
C[C@@]1(CNC(=O)N2CCCC[C@@H]2CN)C[C@@H]1Br	1119419132	MUOKMZLTTJKZLF-SCVCMEIPSA-N	304.232	1.683	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NC[C@@H]1CCCCN1C1CC1	765659923	AIEODGGFRWBPDA-JTQLQIEISA-N	322.331	1.286	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)c(C)n1C1CC1	1117821242	QIPMQFJHSGPTAZ-AWEZNQCLSA-N	305.378	1.770	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1CCCc2cn(C(C)C)nc21	875499277	LIADDHCONOGKEK-LLVKDONJSA-N	309.370	1.754	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NOC1CCCCC1	777513557	FSUAYFQPFWUEAV-UHFFFAOYSA-N	307.350	1.904	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)C1(O)CCCC1	873769711	QQCARQBXIUAYHW-UHFFFAOYSA-N	309.391	1.318	50	20	DDGD	
O=C(NNc1cccnn1)c1nc(Br)cs1	779840181	ONVWQKKWMCJXKZ-UHFFFAOYSA-N	300.141	1.453	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1	878128141	ZMIIPQRIXBLHSC-UHFFFAOYSA-N	322.365	1.950	50	20	DDGD	
O=C(NCCOC[C@@H]1CCCO1)NNc1cc(Cl)ccn1	778671508	YRHBFHPTFYCUOE-NSHDSACASA-N	314.773	1.557	50	20	DDGD	
O=C(C[C@@H](O)c1ccc(Cl)cc1)NNC(=O)NCC1CC1	772625724	RSAQEJZIFRGRRB-GFCCVEGCSA-N	311.769	1.504	50	20	DDGD	
Cn1c(NNC(=O)C2(F)CCCC2)nc2ccccc2c1=O	772990703	GFJKWMRAQGSFBV-UHFFFAOYSA-N	304.325	1.659	50	20	DDGD	
O=C(NNc1ccc(F)cc1)c1ccc2nnc(S)n2c1	773749864	CRQONTUQSCEGSS-UHFFFAOYSA-N	303.322	1.914	50	20	DDGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CC[C@H](n2cncn2)C1	776876165	ANLUWHKLWAJUEY-YZWGYMLPSA-N	310.317	1.998	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1ccnnc1	772996441	RGEDQKYAJYEGQE-SECBINFHSA-N	320.736	1.359	50	20	DDGD	
CN(C)CC[C@H](NC(=O)NNc1ccc(C#N)cn1)C(C)(C)C	888297272	XHFDINJRBXPWLQ-ZDUSSCGKSA-N	318.425	1.946	50	20	DDGD	
CC(C)(C)OC(=O)N1CC2CC1(C(=O)NNc1ccccn1)C2	1120630260	YEJVWOVVWQAFGW-UHFFFAOYSA-N	318.377	1.924	50	20	DDGD	
C=CCNc1ncc(C(=O)NNC(=O)c2ccccn2)s1	770946516	CKHVCXZEHAEAMI-UHFFFAOYSA-N	303.347	1.211	50	20	DDGD	
O=C(NCCCNS(=O)(=O)CCCCl)c1cccs1	881846352	OKAKOEUJXJIVPN-UHFFFAOYSA-N	324.855	1.416	50	20	DDGD	
O=C(NN=C1CCOC[C@@H]1CN1CCCCC1)c1ccccn1	787144354	IXIIISLIZGXSLP-AWEZNQCLSA-N	316.405	1.690	50	20	DDGD	
Cc1ccc2nc(C=NNC(=O)c3ccc(O)c(O)c3)cn2c1	789053679	BGFIDPMZXANCKC-UHFFFAOYSA-N	310.313	1.818	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2cn(C)nc2C(F)F)n1	1123362117	KDKNYIKGRZXQMV-UHFFFAOYSA-N	311.296	1.913	50	20	DDGD	
C[C@H]1CCc2[nH]nc(C(=O)NNc3ncc(F)cc3F)c2C1	897942487	HTSBCEGTVFTBBV-ZETCQYMHSA-N	307.304	1.965	50	20	DDGD	
C[C@@H]1CC[C@@H](NC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1	780782331	KLPRAXYJSKSKRJ-JTNHKYCSSA-N	319.361	1.345	50	20	DDGD	
CC(C)=C[C@@H]1[C@H](C(=O)NNC(=O)N2CCN(C)CC2)C1(C)C	788168924	HFXXQIKUVIWQDN-CHWSQXEVSA-N	308.426	1.213	50	20	DDGD	
COCCn1cc(C(=O)NNc2cc(C)nc(C)n2)c(C)n1	782854250	QTMKNROSNHDNFC-UHFFFAOYSA-N	304.354	1.002	50	20	DDGD	
O=C(NN=C1CCC(C(F)F)CC1)N[C@@H]1CCS(=O)(=O)C1	799478063	QTBWRNIAVBSSFR-LHIURRSHSA-N	323.365	1.284	50	20	DDGD	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNc1nc2ccccn2n1	791252153	IZQMLKVGJSDASE-LLVKDONJSA-N	322.328	1.512	50	20	DDGD	
Cc1cncc(CCC(=O)NNC(=O)Cc2ccc(F)cc2)c1	794197088	ZUXDWLAQWAMURI-UHFFFAOYSA-N	315.348	1.852	50	20	DDGD	
COC(=O)[C@@H]1C[C@H](F)CN1C(=O)/C(C#N)=C\c1ccc(O)cc1	794215510	XTHPKCDQMIDFPT-HPJOQNQSSA-N	318.304	1.411	50	20	DDGD	
CC(=NNC(=O)[C@H]1COc2ccccc2O1)c1cnoc1C	799466440	CBRNDMHMCMKJQE-CQSZACIVSA-N	301.302	1.663	50	20	DDGD	
COCCOC1CCC(C(=O)NNC(=O)CC(C)(C)C)CC1	795078891	WEMRLICSMPXQAA-UHFFFAOYSA-N	314.426	1.792	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2Cc3ccc(F)cc32)c(O)c1	794984614	RIEIREHNLKVNAP-AWEZNQCLSA-N	314.316	1.941	50	20	DDGD	
Cc1cccnc1NNC(=O)CCNC(=O)Cc1ccccc1	791223547	FQKUTFPUDQZHGF-UHFFFAOYSA-N	312.373	1.582	50	20	DDGD	
CC[C@@H](C)n1ncc(NC(=O)NNC(=O)c2c[nH]nc2C)c1C	792481340	IUESWNFLADXANA-MRVPVSSYSA-N	319.369	1.661	50	20	DDGD	
CCC1(CC)NC(=O)N(CC(=O)NCCSSC)C1=O	791117000	SZTOIORLQHBMCV-UHFFFAOYSA-N	319.452	1.224	50	20	DDGD	
C=C(CBr)COC(=O)CCCN1C(=O)CCC1=O	795443731	LLOWGAJOKXKSTL-UHFFFAOYSA-N	318.167	1.410	50	20	DDGD	
COC(=O)C[C@@H]1CCC(=NNC(=O)Cc2cc(C)[nH]n2)[C@H]1C	794490438	SHNHMSJAWMVWNN-QWRGUYRKSA-N	306.366	1.342	50	20	DDGD	
CC(CN1Cc2ccccc2C1)=NNC(=O)Cc1cc(C)[nH]n1	792631270	QJTVQJIAWJVQHJ-UHFFFAOYSA-N	311.389	1.769	50	20	DDGD	
O=C(N=c1cc[nH]cc1F)NNc1ccc2c(=O)[nH]ccc2c1	794255932	QMZXPPDOCIHITF-UHFFFAOYSA-N	313.292	1.633	50	20	DDGD	
CCC1CC(=O)C(=CNNC(=O)c2ccc(OC)cc2)C(=O)C1	1317745172	UUQBTHVNVYJENA-UHFFFAOYSA-N	316.357	1.772	50	20	DDGD	
C[C@@H]1CCC[C@H](OCC(=O)NNc2nncc(N)c2Cl)C1	1319777383	QWOQCUZAMQPZQA-BDAKNGLRSA-N	313.789	1.751	50	20	DDGD	
C[C@H](OC1CCCCC1)C(=O)NNC(=O)NCc1ccco1	1318608558	VNQXPHVIXMIGPC-NSHDSACASA-N	309.366	1.848	50	20	DDGD	
Cc1ccn(-c2ccc(C(=O)NNC(=S)NC(C)C)cc2)n1	1317906625	RTCWLTRXPVPWDV-UHFFFAOYSA-N	317.418	1.698	50	20	DDGD	
Cc1ccc([C@H](C)C(=O)NNC(=O)c2n[nH]c3c2CCCC3)o1	1318849986	IRUPHZVJXATGOK-JTQLQIEISA-N	316.361	1.755	50	20	DDGD	
Cn1cncc1CC(=O)NNc1cncc(Br)c1	1322989966	FPGZFOHJMARSKT-UHFFFAOYSA-N	310.155	1.263	50	20	DDGD	
COCCOCC(=O)NNC(=O)C1(Sc2ccccc2)CC1	1329551180	LMTCGOWJOJLITH-UHFFFAOYSA-N	324.402	1.122	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCCC(=O)C2CC2)cc1	1324415493	PIRYBSIJILMLRC-UHFFFAOYSA-N	304.346	1.606	50	20	DDGD	
Cc1nn(C)cc1CCC(=O)NC[C@@]1(C)C[C@@H]1Br	1328645002	GURSFUYRRBEYHZ-WCQYABFASA-N	314.227	1.951	50	20	DDGD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCl)cc2)C1	1320466982	YNXALZATFOFNGN-GFCCVEGCSA-N	309.797	1.243	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53	1339599242	IRKJXZUASVGNPA-DIJRRZNFSA-N	305.447	1.284	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	1336485367	RGGQKPCKJPLRND-WDEREUQCSA-N	321.333	1.383	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](c1ccccc1)c1cnn(C)c1	1330822346	CNEJEVCKURGFND-ZDUSSCGKSA-N	317.349	1.422	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1ccc(CC)cc1	1337216488	YHBZUZOBLYVXHZ-UHFFFAOYSA-N	301.346	1.138	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12	1337056612	JSGQJBCCSNRVHQ-UHFFFAOYSA-N	321.362	1.593	50	20	DDGD	
Cc1nc(N)nc(C)c1C(=O)NNc1ccc2c(=O)[nH]ccc2c1	1341065325	OFPLQTNMAZZIGP-UHFFFAOYSA-N	324.344	1.274	50	20	DDGD	
Nc1cnnc(NNC(=O)c2n[nH]c3ccccc23)c1Cl	1340602800	VNLPDLUQQGEQIM-UHFFFAOYSA-N	303.713	1.345	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)[C@@H]1CN2CCN1C[C@@H]2C	1347387515	AREHZEJFZFDKIN-FZMZJTMJSA-N	308.813	1.480	50	20	DDGD	
CC(C)=CCCNC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1351178990	USIZBVGFEOKYRK-GWCFXTLKSA-N	317.227	1.749	50	20	DDGD	
O=C(c1cccc(CCl)c1)N1CC[C@H](N2CC[C@@H](O)C2)C1	1353690510	VADCRLGHIIPOMV-LSDHHAIUSA-N	308.809	1.707	50	20	DDGD	
CC(C)c1noc(CCNS(=O)(=O)CC(C)(C)CCl)n1	1351799287	HLZJMBGVDDYHFZ-UHFFFAOYSA-N	323.846	1.920	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)NC1(C(F)(F)F)CC1	1351689781	OIXARIBWSRDBSO-UHFFFAOYSA-N	303.240	1.431	50	20	DDGD	
CCOCCCN1CCC(=NNC(=O)c2cccnn2)[C@@H](C)C1	1353080779	QZZXYOMSFRAEBL-ZDUSSCGKSA-N	319.409	1.331	50	20	DDGD	
C[C@@](O)(CC(=O)NNc1ncccc1C(=O)O)c1ccccc1	1603256066	DAJRZHQIUKTFKA-MRXNPFEDSA-N	315.329	1.521	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2ccc(F)cc2O)cc1	1602129259	WBAIQEKGLLGLPJ-UHFFFAOYSA-N	304.277	1.915	50	20	DDGD	
O=C(O)CC1(CC(=O)NNc2ncncc2Cl)CCCC1	1601913746	YAIVWVXRHIYLRF-UHFFFAOYSA-N	312.757	1.998	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccc3nc(O)[nH]c3c2)nc1	1602383053	QLQUPWBZNOLEDD-UHFFFAOYSA-N	313.273	1.119	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)c(F)c1	1602383345	GADQOPXCOWAAEX-OUJBWJOFSA-N	308.309	1.782	50	20	DDGD	
C[C@@]1(CNC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)C[C@H]1Br	1604576918	BNZGRDDNNPADSZ-SREGZZRCSA-N	319.199	1.712	50	20	DDGD	
O=C(NCCCn1cccn1)NNc1ccc(C(=O)O)c(F)c1	1601500466	FYULAXARYQMMFZ-UHFFFAOYSA-N	321.312	1.437	50	20	DDGD	
O=C(O)CC(=O)NNc1ccccc1I	1608665127	VEKUHKPANVLERM-UHFFFAOYSA-N	320.086	1.209	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)NNc1ccc(F)c(C(=O)O)c1	1604646771	FSIKWVNAIZIMSN-KCJUWKMLSA-N	308.309	1.972	50	20	DDGD	
CC(CCC(=O)O)=NNC(=O)CSc1nc(C)cc(C)n1	1609737739	HTFSEDLFBGMCPZ-UHFFFAOYSA-N	310.379	1.542	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1oc(C(=O)O)cc1C	1607336389	IVSJTWQKMWMMNS-UHFFFAOYSA-N	318.285	1.370	50	20	DDGD	
CN(C)c1ccc(-c2nn[nH]n2)cc1/C=C(/C#N)C(=O)NC1CC1	1604697683	RFSULBYWXZTHTB-WQLSENKSSA-N	323.360	1.118	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc(C(=O)O)ccc1Cl	1600978610	HYUXCIOEYVTXQA-UHFFFAOYSA-N	321.720	1.452	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cc(-c2nn[nH]n2)ccc1NC	1609239438	KHIPOPGNIDHAAE-CSKARUKUSA-N	313.321	1.291	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(CC(=O)O)cc2)c(C)nn1	1607580035	OYJNOOGITOITLE-UHFFFAOYSA-N	300.318	1.477	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cccn2nccc12	1606857937	XUOAHWZPISIBGX-UHFFFAOYSA-N	320.316	1.271	50	20	DDGD	
O=C(O)[C@@H](CC1CC1)NS(=O)(=O)c1ccc(CCl)cc1	1608534783	PJMZYYXXRMMEJV-GFCCVEGCSA-N	317.794	1.957	50	20	DDGD	
CCCCn1cc(C(=O)NNc2ccc(C(=O)O)cn2)c(C)n1	1609973998	XUXOLECLNKGJBP-UHFFFAOYSA-N	317.349	1.842	50	20	DDGD	
Cc1nn(C)c(C)c1CC(=O)NNc1cccc(C(=O)O)c1	1610569160	RJSNUTOOHCKTLA-UHFFFAOYSA-N	302.334	1.421	50	20	DDGD	
O=C(NN=C1CC(CF)(CF)C1)[C@H]1CN2CCC[C@@H]2CO1	1549311756	BWLLYIAGOPLGJW-VXGBXAGGSA-N	301.337	1.041	50	20	DDGD	
CCn1nccc1[C@@H]1OCCC[C@@H]1C=NNC(=O)C(C)(C)O	1552452294	JQLBDURSQCQGJO-DGCLKSJQSA-N	308.382	1.244	50	20	DDGD	
CNC[C@@H](C)C(=O)NNc1ncccc1C(=O)OC(C)(C)C	1578623337	QVXPEDYRZDMAJT-SNVBAGLBSA-N	308.382	1.336	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H](C(=O)O)C(C)C)c(C)c1	1574374777	BFZRSRIPPBMGOQ-LBPRGKRZSA-N	323.418	1.978	50	20	DDGD	
CO[C@@H]1CN[C@](C)(C(=O)NNc2ccc([N+](=O)[O-])cc2C)C1	1573960612	LERZWQBSDNGOSG-FZMZJTMJSA-N	308.338	1.113	50	20	DDGD	
CC1(C(=O)NNc2cc(F)ccc2Br)CNC1	1576349466	DIUIXTDTIBUFQL-UHFFFAOYSA-N	302.147	1.641	50	20	DDGD	
N[C@@H]1CCCn2nc(C(=O)NNc3nc4ccccc4[nH]3)cc21	1580191611	SKJAAPQJQAKYMG-SECBINFHSA-N	311.349	1.310	50	20	DDGD	
COCCC(=O)N1CC2(CCCN2C(=O)C(C)(C)CCl)C1	1841225879	UHPNZMRYJPJMTO-UHFFFAOYSA-N	316.829	1.491	50	20	DDGD	
N[C@@H](CC(=O)NNc1cccc([N+](=O)[O-])c1)Cc1ccccc1	1580365249	RMACWGZJTIJDDO-CYBMUJFWSA-N	314.345	1.998	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cn(C)cn1)C2	1845164028	GTPNERSCAQKFSD-LLVKDONJSA-N	324.812	1.255	50	20	DDGD	
CC(C)(CCl)C(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1	1842806564	IVOWNLKAEKLWMO-UHFFFAOYSA-N	323.824	1.759	50	20	DDGD	
CC1(C=NNC(=O)COc2ccccc2-c2nn[nH]n2)CCC1	1590120013	IRUDCMPKQRADAQ-UHFFFAOYSA-N	314.349	1.538	50	20	DDGD	
Cc1oncc1C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1842487461	MNZIAZCUHIFURK-SNVBAGLBSA-N	315.732	1.334	50	20	DDGD	
COc1ccc(NNC(=O)Cc2ccc(C(=O)O)nc2)cc1	1599597280	OQRVDCMBPQAZCM-UHFFFAOYSA-N	301.302	1.474	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)c2ccc[nH]2)[nH]c(C)c1C(=O)O	1596042220	PPEBSGKWRXYOOM-UHFFFAOYSA-N	318.333	1.377	50	20	DDGD	
O=C(CCc1ccc(O)cc1)NNc1ccc(-c2nn[nH]n2)cc1	1592852115	XWCLSSMPMXGLLG-UHFFFAOYSA-N	324.344	1.648	50	20	DDGD	
CCc1[nH]c(C=NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)cc1C(=O)O	1597380386	ILGWWPKUJRXBEI-SUZMYJTESA-N	305.334	1.293	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1ccccc1C(=O)O	1594421224	NZBXUBHEQMNYMC-UHFFFAOYSA-N	314.301	1.170	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)O)c(O)c1)c1cccc(F)n1	1776093755	JANOAYVOPJEXII-UHFFFAOYSA-N	303.249	1.388	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1ccc(/C=C/C(=O)O)cc1	1776116012	PHRFYAQNEFRWEN-GOLNNHHQSA-N	301.298	1.881	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2cccc(F)c2O)cc1	1776099853	DIBXMMONQDSNNC-UHFFFAOYSA-N	302.261	1.993	50	20	DDGD	
COc1ccc(C)nc1C=NNC(=O)c1ccc(C(=O)O)cc1	1776101807	ZKASTCIGFUPMOU-UHFFFAOYSA-N	313.313	1.861	50	20	DDGD	
CC(=NNC(=O)c1ccc(CO)o1)c1cc(C(=O)O)ccc1O	1776097021	CYWQYDPQNVNRML-UHFFFAOYSA-N	318.285	1.330	50	20	DDGD	
CC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncc[nH]1	1794838569	WXZAQTIDZUFPDO-WRWGMCAJSA-N	324.812	1.679	50	20	DDGD	
CCC(=CC(=O)NNC(=O)COc1ccccc1OC)CC	164242195	VNXPZSDGVBUBMC-UHFFFAOYSA-N	306.362	1.968	50	20	DDGD	
Cc1[nH]nc2ncc(C(=O)NNc3cccc([N+](=O)[O-])c3)cc12	151547565	ZUOGWMRMPXKXGG-UHFFFAOYSA-N	312.289	1.931	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNC(=O)c1cc2ccccc2o1	151426744	GMLWPLMLTKGYSN-SECBINFHSA-N	304.302	1.393	50	20	DDGD	
CC(C)CS(=O)(=O)CCC(=O)NNc1cccc(C#N)c1	152329767	CSHQVARLEQZTQN-UHFFFAOYSA-N	309.391	1.462	50	20	DDGD	
CN(C)S(=O)(=O)CP(=O)(c1ccccc1)c1ccccc1	100170994	KXXXGIAAPGKJPI-UHFFFAOYSA-N	323.354	1.849	50	20	DDGD	
O=[N+]([O-])c1cccc(N2CCN(S(=O)(=O)CCl)CC2)c1	111000378	CBOQHVJCIRVCGJ-UHFFFAOYSA-N	319.770	1.243	50	20	DDGD	
CSSCCNS(=O)(=O)c1cc(C(=O)O)oc1C	284080197	RAYJPZORPAYRPM-UHFFFAOYSA-N	311.406	1.576	50	20	DDGD	
CCOC(=O)NN=CC(C)(C)N1C(=O)c2ccccc2C1=O	496562032	KVEHLWNGCTXIGR-UHFFFAOYSA-N	303.318	1.793	50	20	DDGD	
O=C(NNC(=O)C1[C@H]2CCC[C@H]12)c1cc(-c2ccccc2)n[nH]1	178089073	OCSZXVRQKCXQLT-RYUDHWBXSA-N	310.357	1.884	50	20	DDGD	
CCCc1cc(NC(=O)NNc2nc(C)cc(C)n2)n(C)n1	179684786	MHYOZXJYBBLILC-UHFFFAOYSA-N	303.370	1.928	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2ccn(CCC#N)n2)n1	179868496	YUVGIBMJFIUIDA-UHFFFAOYSA-N	300.326	1.352	50	20	DDGD	
CCN(CC(=O)NNC(=O)C1CC1)Cc1ccc(OC)cc1	112977207	NTSKFXRAAMRKPB-UHFFFAOYSA-N	305.378	1.075	50	20	DDGD	
CCOc1ccc(C(=O)NNc2cc(C)ncn2)cc1OC	172272163	NXGNIVBAAUYJBO-UHFFFAOYSA-N	302.334	1.949	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H]1CCCN1Cc1ccccc1	69008849	LINBQFKMLUVWOP-AWEZNQCLSA-N	304.394	1.390	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCCn1ccnc1)c1ccccc1	111786265	GRSRHPDBAWTIRS-CQSZACIVSA-N	315.377	1.407	50	20	DDGD	
CO[C@]1(C)C[C@H](NC(=O)NNC(=O)Cc2ccncc2)C1(C)C	177563779	DCBLFOBREGMFKY-BLLLJJGKSA-N	320.393	1.158	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2oc(C)cc2C)c1O	175242661	OEUAHZVRSMJQJD-UHFFFAOYSA-N	304.302	1.685	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CC[C@H]2CCOC2)cc1	176882660	HPYFVFWVIMDIEN-AWEZNQCLSA-N	320.389	1.592	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H](C)CN2CCCCC2)n1	175281301	GKJDNIRKEDZCDI-LBPRGKRZSA-N	322.413	1.294	50	20	DDGD	
O=C(CN1CCCCCCC1=O)NNc1ccc([N+](=O)[O-])cc1	177996001	LBGMZBGIWTYNSL-UHFFFAOYSA-N	320.349	1.831	50	20	DDGD	
COc1ccc(C)cc1-n1ccc(C(=O)NNc2ncccn2)n1	65583418	LDXCOQHHEVZXQC-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H]1CCCN1C(C)=O)c1ccccc1	110963304	IYMBPBHRYZEFIV-CABCVRRESA-N	317.389	1.339	50	20	DDGD	
Cc1nc(-c2cnn(C)c2)sc1C(=O)NNC(=O)C(C)(C)C	115334902	OZILZGOCKCWCNL-UHFFFAOYSA-N	321.406	1.659	50	20	DDGD	
COc1ccc(F)cc1C(=O)NNC(=O)Cc1ccncc1	175790012	UKFAOHDULQJXKP-UHFFFAOYSA-N	303.293	1.233	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)NCc2ccco2)c1OC	65177851	NFESVCGZTYOXLA-UHFFFAOYSA-N	319.317	1.441	50	20	DDGD	
CC[C@H](C)N(C)CCNC(=O)NNC(=O)c1ccccc1OC	67480019	UNBCUAWTQNHPQZ-LBPRGKRZSA-N	322.409	1.370	50	20	DDGD	
COC1CCC(CC(=O)NNC(=O)c2ccccc2O)CC1	120056837	IWWAKUBPDKEZGB-UHFFFAOYSA-N	306.362	1.749	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C	68931211	PWYJBKOJTWEJNJ-SNVBAGLBSA-N	314.386	1.126	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CC[C@@H](C)[C@H](C)C2)cc1	122591673	WQHAEKAEVIBFJW-ZIAGYGMSSA-N	303.406	1.734	50	20	DDGD	
Cc1cc(S(C)(=O)=O)cc(C(=O)NNc2ccccn2)c1C	181252244	ALAAFOTWKAWCTB-UHFFFAOYSA-N	319.386	1.859	50	20	DDGD	
Cc1cc(NNC(=O)Cc2cc3ccccc3[nH]c2=O)nc(C)n1	128647914	HWQWBBYUOVJYTO-UHFFFAOYSA-N	323.356	1.621	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)COCc1ccccc1)C1CCC1	125985501	SEEBFDCJUHTEEM-GFCCVEGCSA-N	305.378	1.722	50	20	DDGD	
O=C(NNC(=O)c1cccc2nn[nH]c12)c1c[nH]c2ccccc12	182685691	XTMPZXHMLVOCHE-UHFFFAOYSA-N	320.312	1.514	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc2ccccn2c1	180300221	YCWWMVHTVHUMRP-UHFFFAOYSA-N	308.432	1.411	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)[C@@H](CC)c2ccccc2)CC1	73552777	MJRPZSMCUQPDJV-ZDUSSCGKSA-N	318.373	1.671	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1c(F)cccc1F	78192756	VVIMMHBPYNFASS-UHFFFAOYSA-N	320.295	1.943	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](C)n1cnc2ccccc21	131739246	MZDZFEPWRKBIGU-JTQLQIEISA-N	312.333	1.539	50	20	DDGD	
CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)CCl	383126377	JDLQRBAVLFGQIN-CQSZACIVSA-N	316.854	1.966	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2ccc(C)c(F)c2)c1	190042647	IMMPZTKGTZULDV-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
CCn1cc(NC(=O)NNC(=O)c2cccc(N(C)C)c2)cn1	194295144	DQOWVLGYYDGEPN-UHFFFAOYSA-N	316.365	1.436	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(F)ccc2[N+](=O)[O-])o1	84380151	KTYALSMEKVSWEK-UHFFFAOYSA-N	307.237	1.710	50	20	DDGD	
CC(=O)NCCNC(=O)NNc1ccccc1C(F)(F)F	43140415	XDAKPTWLFUZUCI-UHFFFAOYSA-N	304.272	1.468	50	20	DDGD	
Nc1nccnc1C(=O)NNc1ccc(Br)cc1	48425882	DEJRBWBQGVOQBI-UHFFFAOYSA-N	308.139	1.578	50	20	DDGD	
Cc1ccc(F)c(OCC(=O)NNc2ncccc2[N+](=O)[O-])c1	132686461	CMPCCLOKTHLQTG-UHFFFAOYSA-N	320.280	1.959	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)[C@H]1CCCO1	132151761	DMPNHEAAWMNZOU-UONOGXRCSA-N	323.368	1.656	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNc2cc(C)nc(C)n2)cc1	130458488	ZZDYPFQEEANLKB-UHFFFAOYSA-N	313.361	1.738	50	20	DDGD	
CC(C)C(CNC(=O)NNC(=O)Cc1ccncc1)C(C)C	194919903	VIKTVSMPXIGNQK-UHFFFAOYSA-N	306.410	1.883	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Cc1cc(F)ccc1F	81025030	TTYHVCPNBKISIX-UHFFFAOYSA-N	305.284	1.292	50	20	DDGD	
Cc1ccc(NS(=O)(=O)CCCCCl)cc1C(N)=O	190765054	YZZKKNQZYCEFAS-UHFFFAOYSA-N	304.799	1.855	50	20	DDGD	
CN(C)C(=O)c1cccc(NC(=O)NNc2cnccn2)c1	149096094	OHEUTCRTIXVYCY-UHFFFAOYSA-N	300.322	1.327	50	20	DDGD	
C[C@H](CNC(=O)NNc1ncccn1)COCc1ccccc1	97258434	JNNRXFVEZIQONH-CYBMUJFWSA-N	315.377	1.956	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cccc(OCC(F)F)n1	90039628	WTSYOIMNAMMYDL-UHFFFAOYSA-N	302.281	1.078	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)CC[C@@H]2CCOC2)c1	267633951	XIFSKEKDUMAJNC-GFCCVEGCSA-N	321.377	1.071	50	20	DDGD	
O=C(CN1CCSC1=O)NNc1cc(F)c(F)cc1F	265206918	SRTZFAWFVKEGMN-UHFFFAOYSA-N	305.281	1.716	50	20	DDGD	
COC[C@H](C)CNC(=O)NNC(=O)C(C)(C)c1ccccc1	264647726	DUMSLLWUEDARFU-GFCCVEGCSA-N	307.394	1.577	50	20	DDGD	
C[C@@H](O)c1cn(CC(=O)NNc2cccc3c2CCCC3)nn1	269607234	MYXLVGMSQRUBER-LLVKDONJSA-N	315.377	1.354	50	20	DDGD	
CC[C@H](COC)NC(=O)NNC(=O)COc1cccc(C)c1	265776118	IFWAFBLPWXWGSZ-GFCCVEGCSA-N	309.366	1.129	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CC23CCOCC3)c(O)c1	365789685	ZHGZJOSLCBCHJQ-GFCCVEGCSA-N	304.346	1.278	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)CBr	272872302	ZVFTURQTFHQYHA-UHFFFAOYSA-N	310.125	1.964	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)n1	279754350	DECCTIJRZZIDJA-DZGCQCFKSA-N	319.405	1.992	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)CCCC(=O)OC	274095922	OCAXHPASYZVTJP-UHFFFAOYSA-N	322.361	1.119	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H](C)NC(=O)OC)c1ccccc1	270483464	QVOHJGFKVDPXAO-JQWIXIFHSA-N	307.350	1.072	50	20	DDGD	
O=C(NNc1nnc(C2CC2)s1)c1cc(O)cc([N+](=O)[O-])c1	273631559	QMBAIAYRIXJNIA-UHFFFAOYSA-N	321.318	1.786	50	20	DDGD	
COCCCOCC(=O)NNC(=O)c1cccc2ncccc12	271898916	YVOWSUZMMHGTJP-UHFFFAOYSA-N	317.345	1.049	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cnc3n2CCCC3)c1	371580667	DRGOBONCUWHAFV-UHFFFAOYSA-N	314.345	1.763	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN(c2ccccc2Cl)C1)C1CC1	289759885	JPUBHIFTHYQWSP-NSHDSACASA-N	307.781	1.724	50	20	DDGD	
O=C(NNC(=O)C1(O)Cc2ccccc2C1)Nc1ccccc1	374826317	QZGOFOUKAHWLBR-UHFFFAOYSA-N	311.341	1.369	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1nn(-c2cccc(F)c2)cc1O	284117721	VIKKYRSBJASWLZ-UHFFFAOYSA-N	318.308	1.278	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)[C@@H]1C[C@]12CCOC2	375184736	RQDNZHJJNQWDMX-GUYCJALGSA-N	313.357	1.215	50	20	DDGD	
CC1(C)CCC[C@H]1NC(=O)NNc1ccc(-n2ccnc2)nn1	286833695	YUVZHNMDENZBTH-LLVKDONJSA-N	315.381	1.867	50	20	DDGD	
NC(=O)[C@@H]1CC[C@@H](C(=O)NNc2cc(Cl)cc(Cl)c2)O1	281445514	CFHZCXMDFAWIGA-UWVGGRQHSA-N	318.160	1.469	50	20	DDGD	
COC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)c1c[nH]c2ccccc12	285003045	IEAPBPZFDXGUTL-MNOVXSKESA-N	315.329	1.128	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Cn1cc(Cl)cn1)c1ccccc1	287573375	VUKMJLHXRYJXBT-CYBMUJFWSA-N	320.780	1.878	50	20	DDGD	
O=C(CCNC(=O)C1CCCCC1)NNc1cccc(F)n1	804767469	NPXCNJRCMYQRJG-UHFFFAOYSA-N	308.357	1.750	50	20	DDGD	
CCOCC(C)(C)CNC(=O)NNc1cncc(Cl)n1	291736292	FWWMWPILPPPBGX-UHFFFAOYSA-N	301.778	1.819	50	20	DDGD	
CC(C)OCCCNC(=O)/C(C#N)=C/c1ncc(Cl)n1C	296100456	ZVJXOYMVTKHRHG-YRNVUSSQSA-N	310.785	1.912	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1cccc2cccnc12	296487684	XFTLNHUQHGERTH-CYBMUJFWSA-N	314.345	1.957	50	20	DDGD	
Cc1cc(S(C)(=O)=O)cc(C(=O)NNC(=O)CC2CC2)c1C	294280766	VNDBTZQCUVZRHG-UHFFFAOYSA-N	324.402	1.268	50	20	DDGD	
COc1ccccc1NC(=O)C(=O)NNc1cccc(F)n1	807392668	VIHPPSYEMGAAAB-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
CCOc1ccc(C(=O)CCC(=O)NNc2nnc[nH]2)cc1	293972494	QTBZCZKRNFEAFC-UHFFFAOYSA-N	303.322	1.310	50	20	DDGD	
Cc1nccn1CCCNC(=O)NNc1cccc([N+](=O)[O-])c1	298951452	LHURKBLESPFBFK-UHFFFAOYSA-N	318.337	1.816	50	20	DDGD	
Cn1nnc2c1C[C@@H](C(=O)NNc1ccc(Cl)cc1)CC2	291187010	DZDAHUMJOBQBAG-VIFPVBQESA-N	305.769	1.717	50	20	DDGD	
CCOc1c(Cl)cc(C(=O)NNC(=O)OC)cc1OC	298289228	CCXCTQYEPXQPMK-UHFFFAOYSA-N	302.714	1.748	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)COc1ccc(C)cc1)C1CC1	297604224	WCZHUABBXDYBNB-CQSZACIVSA-N	321.377	1.129	50	20	DDGD	
CNC(=O)NNC(=O)C1(Cc2cccc(F)c2)CCOCC1	292602733	LKBUIEBPZWBBPV-UHFFFAOYSA-N	309.341	1.125	50	20	DDGD	
Cc1cccc(C)c1OCCNC(=O)NNc1ccncn1	296473542	WGQHGBQPLMQNBP-UHFFFAOYSA-N	301.350	1.799	50	20	DDGD	
CN(NC(=O)c1cccc2c1OCCO2)C(=O)OC(C)(C)C	297690534	OWUSBLUMNUPGKC-UHFFFAOYSA-N	308.334	1.970	50	20	DDGD	
COc1ccc(OC)c(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	292835389	PZQQQGMVWWQFNO-ZANVPECISA-N	323.349	1.424	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CCc2ccncn2)cc1	802052288	NDTLDFXNHKPFOU-UHFFFAOYSA-N	315.333	1.271	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNc1ccc(C(F)(F)F)nn1	812540455	WPBQAWQPXSVCOU-HTQZYQBOSA-N	306.288	1.857	50	20	DDGD	
O=C(NN=Cc1cnn(Cc2ccccc2)c1)c1cnccn1	818287799	RVJZASXUVKIWKE-UHFFFAOYSA-N	306.329	1.485	50	20	DDGD	
CNc1ccccc1C(=O)NNC(=O)COc1ccc(C)cc1	816819318	AHMBMKZBCJDHHM-UHFFFAOYSA-N	313.357	1.877	50	20	DDGD	
Cc1nnsc1CNC(=O)NNC(=O)Cc1ccccc1F	813849676	PQNYTDHKMFJBSM-UHFFFAOYSA-N	323.353	1.059	50	20	DDGD	
O=S(=O)(CBr)N1C[C@@H](CO)Cc2ccccc21	813708910	AMSTUVKVQAVSTP-VIFPVBQESA-N	320.208	1.340	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)O)CCC1=NNC(=O)C(=O)Nc1ccccn1	814869113	CLXRWKVMGWTOOY-NXEZZACHSA-N	318.333	1.013	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1cc2c(cc1O)OCO2	817011531	YFKLYAKSJZLVLC-UHFFFAOYSA-N	307.693	1.926	50	20	DDGD	
C[C@H](CNC(=O)NNc1cccc(Cl)n1)Cn1cccn1	814284055	MXTORBSAHCOLBN-SNVBAGLBSA-N	308.773	1.894	50	20	DDGD	
COCCCNC(=O)NN=Cc1c(Cl)nc(Cl)n1C	814819418	JWFDMOKARXACIQ-UHFFFAOYSA-N	308.169	1.397	50	20	DDGD	
COc1cc(C(=O)NN=C[C@H]2CCCOC2)cc(OC)c1OC	814698934	VYGKODPOOIIGGJ-LLVKDONJSA-N	322.361	1.855	50	20	DDGD	
CCC(=NNC(=O)COC)c1ccccc1OCC(=O)N(C)C	814870918	DJQRGQUIEHSZLV-UHFFFAOYSA-N	321.377	1.030	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)N=c2cc[nH]cc2)cc1O	815001541	OBTZLPNTIIKYKZ-UHFFFAOYSA-N	300.318	1.763	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1nnn(-c2ccc(F)cc2)c1C	814832459	ORXRQACGTKBKOM-UHFFFAOYSA-N	318.356	1.117	50	20	DDGD	
CN(NC(=O)CCNS(=O)(=O)/C=C\c1ccccc1)C1CC1	819640633	CLWCSDKJGMLABE-BENRWUELSA-N	323.418	1.092	50	20	DDGD	
CCN(Cc1cccs1)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	827316035	YASLLJMAOBKCPI-CMPLNLGQSA-N	311.407	1.736	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCCc2cn[nH]c2)cc(C#N)n1C	820022088	AUDBPHUOQWQJML-RZNTYIFUSA-N	308.345	1.194	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccnc(-c2ccco2)c1	823475014	NEPQXXDDXMWLCP-JQWIXIFHSA-N	315.329	1.528	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCOC[C@H]1c1noc(C(C)C)n1	490847426	XSBBGBMHIGYPKO-KGTBHZDVSA-N	320.349	1.537	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](Cc1ccccc1)C(=O)OC	491043685	AGXXIVXAJBNRIZ-YPDDLIOESA-N	302.330	1.331	50	20	DDGD	
CC(=O)CCc1ccc(O[C@H](C)C(=O)NN(C)[C@H](C)CO)cc1	823965701	SPFXUKCKEHXALF-TZMCWYRMSA-N	322.405	1.319	50	20	DDGD	
C[C@H](CC(=O)O)C(=O)NNC(=O)c1cccc(OC(F)F)c1	827303932	LTRGODMRLXILPM-SSDOTTSWSA-N	316.260	1.160	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)c2cc(-c3nn[nH]n3)cn2C)c1	826285274	UJOFMHDQTDIKTG-UHFFFAOYSA-N	311.349	1.579	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cccc(Oc2nccs2)c1	823953031	XCFUWDYPNDHJCL-JTQLQIEISA-N	307.375	1.893	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H]2CO[C@@H](C)C2)c(F)c1	828440576	ROGGGGYCMCFJAS-WPRPVWTQSA-N	311.313	1.416	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1c[nH]nc1-c1ccccc1Cl	823947542	ZCNWHXAYGUMZKH-VIFPVBQESA-N	308.769	1.688	50	20	DDGD	
C#CCN1CCC(C(=O)OCC(=C)CBr)CC1	491497155	VYYIPRPMWVQXOY-UHFFFAOYSA-N	300.196	1.826	50	20	DDGD	
C[C@H](NC(=O)NNc1ccccn1)c1cccc(-c2nn[nH]n2)c1	820372822	BRWRYMGGEIRKJP-JTQLQIEISA-N	324.348	1.649	50	20	DDGD	
C[C@@]1(C(=O)NNc2cccc(Cl)c2Cl)CCNC1=O	823547483	YCZSBRRXWFHWHM-GFCCVEGCSA-N	302.161	1.963	50	20	DDGD	
Cc1csc(S(=O)(=O)NNC(=O)NC2CCCCC2)c1	829621903	CGZMDNWTUMQYET-UHFFFAOYSA-N	317.436	1.882	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)c(F)c1	905485340	WDEWATCPZAHLFD-BXKDBHETSA-N	308.309	1.487	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccccc1Cl	901966852	UAYXMGCNZVHONC-UHFFFAOYSA-N	300.767	1.453	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCc1cccc(C(N)=O)c1	490910476	QZWTUZYXRHAJAB-OVCLIPMQSA-N	321.336	1.714	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N(C)[C@H](C)c1ccccn1	827306263	FRFGDBVHHOUJLU-GRYCIOLGSA-N	306.366	1.240	50	20	DDGD	
C=CCc1ccc(OCC(=O)NN(C)C(=O)OC)c(OC)c1	495762033	MKVSWGRYMPDRPN-UHFFFAOYSA-N	308.334	1.532	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCCCN1C	731865280	NGYUYDJJSSUMLR-RISCZKNCSA-N	323.368	1.225	50	20	DDGD	
Cc1cc2c(cc1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)OCO2	831620604	FDQFFAQBEGKRHA-NXEZZACHSA-N	321.333	1.301	50	20	DDGD	
CCOC(=O)[C@@H](CCc1ccccc1)NNC(=O)CC1CC1	901546828	GCERYCKKMHPMEM-OAHLLOKOSA-N	304.390	1.972	50	20	DDGD	
O=C1[C@H](NS(=O)(=O)CCl)CCCN1Cc1ccccc1	830976430	GIRNNQXLYDOUHQ-GFCCVEGCSA-N	316.810	1.293	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2C[C@]23CCOC3)ccc1F	837036183	LBALYHUENXLHTQ-NHYWBVRUSA-N	308.309	1.482	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(C)CCCN(C)Cc1ccncc1	491087306	WUFDJTVWAKPJKW-JQIJEIRASA-N	316.405	1.806	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1csc(-c2ccoc2)n1	833250104	CEMMAEVWJTXJBP-LLVKDONJSA-N	321.358	1.733	50	20	DDGD	
Cc1cccc(C=NNC(=O)[C@H]2CCC(=O)N2)c1Br	901266754	AEUFHWRVSBIOCM-SNVBAGLBSA-N	324.178	1.486	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NCc1cocn1	730913923	YMPSZGYFLIIXQU-SECBINFHSA-N	322.296	1.112	50	20	DDGD	
C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1cccc(B(O)O)c1	584990868	MXFPETHTGYOTTE-HBUWYVDXSA-N	323.201	1.773	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](C)OCC2CC2)cc1F	837052157	ZNYYZHCZCHLNBU-VIFPVBQESA-N	310.325	1.871	50	20	DDGD	
CO[C@H](C(=O)NNc1cccc(Br)n1)C(C)C	837211922	MIFNFYJXEPOVIW-JTQLQIEISA-N	302.172	1.958	50	20	DDGD	
CCO[C@@H]1CCCC(=NNC(=O)[C@@H](C)CN2CCOCC2)C1	905428673	AEBJIUKQIIXKFL-DZGCQCFKSA-N	311.426	1.406	50	20	DDGD	
C=CCc1cc(C(=O)NNC(=O)C2CCC2)cc(OC)c1OC	732143068	QEXOCRSGJKZXCZ-UHFFFAOYSA-N	318.373	1.993	50	20	DDGD	
O=C(C[C@H](c1ccccc1)C(F)(F)F)N1CC[C@H](B(O)O)C1	585066799	PUAVWABEWBYFQR-NWDGAFQWSA-N	315.100	1.798	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2ccc(F)c(C(=O)OC)c2)CC1	837038302	PRNWALXEAQYMPG-UHFFFAOYSA-N	324.308	1.399	50	20	DDGD	
C[C@H]1C[C@H](C)CN(CCCNC(=O)NNC(=O)C2CCC2)C1	732240854	NJDNCKRGCPOGAF-STQMWFEESA-N	310.442	1.485	50	20	DDGD	
C=C[C@H]1CCCCN1CC(=O)NNC(=O)c1ccc(F)cc1	839585305	HHRQEUZPSCECFE-AWEZNQCLSA-N	305.353	1.627	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CN2[C@H](C)CC[C@H]2C)ccc1F	837038239	OLRQPXCTLBUBKJ-GHMZBOCLSA-N	323.368	1.928	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)CC(F)(F)F)cc1	918703838	LRVYFUVKNQDWJY-QPJJXVBHSA-N	302.252	1.808	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C[C@@H]1CCOC1	740076134	UWRGUCNIWIOPGU-LBPRGKRZSA-N	306.362	1.202	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)CC1(O)CCCC1	746094798	SPZITUSKHMSHON-UHFFFAOYSA-N	310.325	1.047	50	20	DDGD	
O=C(NNc1cc(O)nc2ncccc12)C1SCCS1	913991819	FUKPMZQDSSPTQW-UHFFFAOYSA-N	308.388	1.585	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)NC(CF)CF	848660583	QDNIDHNMDSTWNC-UHFFFAOYSA-N	310.102	1.173	50	20	DDGD	
O=C(NNS(=O)(=O)C[C@@H]1CCCCO1)NC1CCCCC1	740810390	WNQQKZBIAGJXLF-LBPRGKRZSA-N	319.427	1.022	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H](C)Cc1ccc(C#N)cc1	847100967	XLKXTPOKZHLCBX-TYNCELHUSA-N	315.373	1.309	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(C2CCCCC2)[nH]n1	843979415	NXSRKAZZBUKDJO-CMPLNLGQSA-N	320.393	1.643	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)CCc1nccs1	749801474	YPEWQAAIICWWHH-UHFFFAOYSA-N	303.387	1.856	50	20	DDGD	
CS(=O)(=O)c1ccc(C(=O)NNc2ccc(Cl)nc2)o1	743819558	VIBHSNKKGBZFAW-UHFFFAOYSA-N	315.738	1.488	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cc(O)nc2ccccc12	918365840	MXKKEILVUFYETN-UHFFFAOYSA-N	313.235	1.654	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@H]2CC[C@H]2C(N)=O)cc1C	848107388	CJHLUYOEQAXRJB-OLZOCXBDSA-N	319.361	1.126	50	20	DDGD	
CCCC[C@@H](CN)NC(=O)NNC(=O)COCc1ccccc1	841958551	JHPVRLWEQAANIS-AWEZNQCLSA-N	322.409	1.051	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=C1CC[C@H](C(=O)O)c2ccccc21	842561580	RTEQLKMHBJYLHL-WDMOLILDSA-N	316.357	1.894	50	20	DDGD	
O=C(NN=Cc1cccc2c1CCC2)[C@H]1CCS(=O)(=O)C1	844572151	CGVKXGKDPUGDGV-ZDUSSCGKSA-N	306.387	1.060	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CCCCN(C)C)cc1	846375042	ZNPUJUMIISULSL-UHFFFAOYSA-N	307.394	1.577	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2CCN3CCC[C@@H]3C2)n1	916573324	KVQSYLDDOJYZFD-CHWSQXEVSA-N	304.398	1.346	50	20	DDGD	
NS(=O)(=O)C1(C(=O)NNc2cc(Cl)ccc2Cl)CC1	845856375	JEKBYNXTVPOGJZ-UHFFFAOYSA-N	324.189	1.258	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1ccc(O[C@@H]2CCOC2)cc1	849177445	MCUTWKWQCFFPPT-HFQYIWAZSA-N	316.357	1.524	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCc1cccc(C(F)(F)F)c1	910158936	GBPWSNGXJKFMCQ-JTQLQIEISA-N	304.312	1.982	50	20	DDGD	
CCc1c(C(=O)NNC(=O)C2CC2)cnn1-c1ccc(C)cc1	913632810	YICUETXJTAOXCC-UHFFFAOYSA-N	312.373	1.914	50	20	DDGD	
COc1c([N+](=O)[O-])ccc(C=NNC(=O)[C@@H]2CCO[C@H]2C)c1O	842562028	UUCAGHDKZHQMBD-WCBMZHEXSA-N	323.305	1.184	50	20	DDGD	
CC[C@@H](CO)C(=O)NNc1cc(OC)ccc1Br	840551808	ZHANUVUBARVSKQ-QMMMGPOBSA-N	317.183	1.919	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCOc2ccc(F)cc21	748256731	CGODJENHVHBILK-SNVBAGLBSA-N	310.325	1.480	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cnc2c(cnn2C)c1	747350696	UVBLYLFEJUDWOG-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
Cc1c(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)nnn1C	746890082	RVRNVGYTYGEODG-UHFFFAOYSA-N	324.266	1.771	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1ccccc1[N+](=O)[O-]	748259195	GUNUYQMPCASLHZ-LLVKDONJSA-N	309.322	1.487	50	20	DDGD	
COC(=O)Nc1cccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	843645127	FDANAUBLQDILAD-JOYOIKCWSA-N	321.333	1.051	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CC[C@@H](C3CCC3)C2)n1	841585385	CPIRELWFLTVFPI-CYBMUJFWSA-N	302.378	1.866	50	20	DDGD	
O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)NNc1ccc(F)c(F)c1	921869994	IWWMSKRGCBPRJY-VIFPVBQESA-N	324.331	1.602	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=Cc1nccn1CC	755542442	LHFHSIUWMGGMEZ-UHFFFAOYSA-N	324.388	1.965	50	20	DDGD	
CN(C)C1(CNC(=O)NC[C@@]2(C)C[C@@H]2Br)CCC1	856848015	BLCHFXKAOFBABD-CMPLNLGQSA-N	318.259	1.943	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccnc(OCC(F)(F)F)c1	854923978	BJCQNJJAMTVLHF-UHFFFAOYSA-N	322.312	1.104	50	20	DDGD	
Cn1c2c(ccc1=O)C(=NNC(=O)OCC(F)(F)F)CCC2	853428638	OTOCOMQFIUWVRU-UHFFFAOYSA-N	317.267	1.714	50	20	DDGD	
NC1(CNC(=O)NNC(=O)c2cccc(Cl)c2)CCCC1	851671231	JDIQHNQANNULGT-UHFFFAOYSA-N	310.785	1.556	50	20	DDGD	
O=C(NNC(=O)c1cnc2n1CCC2)c1cc2c(s1)CCC2	854202228	CCCLQNCHKCIJNK-UHFFFAOYSA-N	316.386	1.454	50	20	DDGD	
CN(CC(=O)NNC(=O)C(C)(C)C)Cc1cc(Cl)cn1C	757843749	ULPJODSSTNOSAC-UHFFFAOYSA-N	314.817	1.304	50	20	DDGD	
C[C@H](N)CCNC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	857114505	QIFLSJTWFOIAID-GVMDUPDNSA-N	322.453	1.661	50	20	DDGD	
C[C@H](CCO)CCNC(=O)NC[C@]1(C)C[C@@H]1Br	856957747	HGMWHHXFXZHVAW-NHCYSSNCSA-N	307.232	1.868	50	20	DDGD	
CCOC(=O)[C@H](CC(=O)NNc1cccc(Cl)n1)C(C)=O	854603512	JKLYIMZAYVERTH-SECBINFHSA-N	313.741	1.337	50	20	DDGD	
CCOC(=O)Nc1ccc(C(=O)NN(C)C(=S)NC)cc1	854927844	JHVOXQVWSRSDIQ-UHFFFAOYSA-N	310.379	1.336	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)CCc2ccon2)c1	854201923	XHGUUUMROXCMIT-UHFFFAOYSA-N	319.317	1.086	50	20	DDGD	
CCC[C@@H](C(=O)NNC(=O)c1cccc(F)n1)c1ccccn1	856426596	BHMRCHPWFZHJJG-LLVKDONJSA-N	316.336	1.961	50	20	DDGD	
CO[C@@H](C)CNC(=O)NNC(=O)c1cn(C)c2ccccc12	851918026	UKFNVGZSSZAPFI-JTQLQIEISA-N	304.350	1.157	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)OCC(F)(F)F)c1ccccc1	856023473	KVUZZZMLNSRKOS-LBPRGKRZSA-N	320.267	1.868	50	20	DDGD	
CC(C)CCC(=O)NCC(=O)NC[C@]1(C)C[C@H]1Br	857403864	VHPQRMWJGOUIDT-MFKMUULPSA-N	319.243	1.829	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)C(=O)NNC(=O)OCC(F)(F)F	856023505	LTYGPIHOOCZUFU-RXMQYKEDSA-N	308.260	1.450	50	20	DDGD	
CC[C@@H](CO)NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	852398592	HYYAYLZHCKACPF-ZDUSSCGKSA-N	307.394	1.699	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)COC)cc1Cl	755974621	VTZYLDYPCDPUNN-UHFFFAOYSA-N	301.730	1.538	50	20	DDGD	
Cc1ccc(C(=O)NNc2ncccn2)c(Br)n1	755451569	LTVFAHLAUWLMQZ-UHFFFAOYSA-N	308.139	1.699	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)CC1CC(F)(F)C1	854286566	UEAKDNGJRVISGM-UHFFFAOYSA-N	309.382	1.296	50	20	DDGD	
CSCC[C@H](C)NC(=O)NNC(=O)c1cccc(F)n1	852123175	GBMGKNHMKWZBJO-QMMMGPOBSA-N	300.359	1.306	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)C(=O)Nc1ccccn1	758826291	BXBOPPVTUZRGLF-UHFFFAOYSA-N	324.296	1.228	50	20	DDGD	
COc1cccc(C(=O)NNc2nc(-c3cccnc3)no2)n1	752625454	CTRMOIUOSVLALX-UHFFFAOYSA-N	312.289	1.292	50	20	DDGD	
COCCC(=NNC(=O)c1ccc(-n2cnnn2)cc1)C(C)C	756824584	WDURIQFKFUEUAG-UHFFFAOYSA-N	316.365	1.441	50	20	DDGD	
COCCOCCN(C)C(=O)NC[C@@]1(C)C[C@@H]1Br	856958875	PBJZNSCOFBTSEN-CMPLNLGQSA-N	323.231	1.464	50	20	DDGD	
CN(C)c1cnc(C(=O)NC[C@@]2(C)C[C@@H]2Br)cn1	857393364	FUKFQRUFNBVDGX-JOYOIKCWSA-N	313.199	1.446	50	20	DDGD	
CC(C)(C=NNC(=O)CNC(=O)c1cccs1)CCC#N	755678779	LWJYUALUIUJLSH-UHFFFAOYSA-N	306.391	1.910	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNC(=O)CCc1ccc(OC)cc1	861765306	QSLCEYCKTZBYQM-HNNXBMFYSA-N	322.405	1.980	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1ccc(F)c(Cl)c1	866037752	FBNFGBHVMMYNDU-UHFFFAOYSA-N	319.720	1.295	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](C)OCc2ccncc2)n1	866294611	KPZAEJJYZOMACA-NSHDSACASA-N	317.349	1.237	50	20	DDGD	
CC(C)[C@H](C=NNC(=O)c1cn[nH]c1)CNC(=O)OC(C)(C)C	863153896	GWJNZCPSHBJQGW-NSHDSACASA-N	323.397	1.922	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@@H](C)c2ccc[nH]2)c1	760288130	RTOIUMWABDQXLR-LBPRGKRZSA-N	316.361	1.794	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cc(C(C)(C)C)ccc1OC	763440838	MYZHMXGUCSEYKX-UHFFFAOYSA-N	321.377	1.489	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)c2cc(Cl)cc(Cl)c2)N1	862449033	KMZJUBHEYOGFMP-SECBINFHSA-N	316.144	1.033	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NNC(=O)CCc2ccccc2)C1	767802747	ZLMHSCDDCAGKJY-CYBMUJFWSA-N	317.389	1.025	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)C1(c2ccccn2)CC1	865085758	KZGNFEZLQCGBRE-UHFFFAOYSA-N	309.369	1.893	50	20	DDGD	
CCc1cnccc1C(C)=NNC(=O)CNC(=O)c1ccco1	765570683	ACEFBMJBFAJYJM-UHFFFAOYSA-N	314.345	1.507	50	20	DDGD	
CC(=NNC(=O)C1CC1)c1ccc(Cl)c(S(N)(=O)=O)c1	764655620	XGFRQCZEPJSQFK-UHFFFAOYSA-N	315.782	1.238	50	20	DDGD	
CN(CCN1CCOCC1)C(=O)[C@@H](Br)C(C)(C)C	767951718	YPOIJJSYOHPYTC-LLVKDONJSA-N	321.259	1.587	50	20	DDGD	
COc1cc(CNS(=O)(=O)CC(C)(C)CCl)ccn1	866450323	FQEJRLPUDPABSN-UHFFFAOYSA-N	306.815	1.775	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H]1CCCc2c[nH]nc21	866973547	ABTFYNCIECCREI-SNVBAGLBSA-N	305.831	1.972	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)Oc1cccc(F)c1C(N)=O	867105808	ULBPGFHQEAEOHN-UHFFFAOYSA-N	323.773	1.898	50	20	DDGD	
CNC(=O)NNC(=O)[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]21	864993572	YPIMPFYJOCPGNQ-GARJFASQSA-N	324.178	1.295	50	20	DDGD	
CC(C)CN1C[C@@H](C(=O)NNc2nc3ccccc3[nH]2)CC1=O	768508206	ZJZDVPUQQSJVMU-NSHDSACASA-N	315.377	1.511	50	20	DDGD	
CCN(CC)CCC(=O)NN=C(CCOC)C1CCOCC1	764899751	ITVNOZRDUWFGLZ-UHFFFAOYSA-N	313.442	1.654	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)[C@@H]1CCCN(CC(F)F)C1	869355263	XFKMQIQGVMYISU-MRVPVSSYSA-N	319.743	1.550	50	20	DDGD	
CC(=NNC(=O)c1cn[nH]c1)[C@@H]1CCCN1C(=O)OC(C)(C)C	863154286	UYZIFFINYBOUPC-LBPRGKRZSA-N	321.381	1.915	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1cccc2c(C)c(C)[nH]c12	869910117	DGTNMMZURHJRAV-UHFFFAOYSA-N	319.361	1.209	50	20	DDGD	
O=C(CO[C@@H]1CCOC1)NNc1ccc(Cl)cc1[N+](=O)[O-]	1116199278	NUBKGZJDCDPGJG-SECBINFHSA-N	315.713	1.497	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1ccnn1-c1ccccc1	872400450	LDVYUBQYIKNAPQ-UHFFFAOYSA-N	316.361	1.376	50	20	DDGD	
CC[C@@H]1CCc2nc(NC(=O)NNC(=O)CCO)sc2C1	1116908175	AQCBVYHROGKWNV-MRVPVSSYSA-N	312.395	1.193	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc(OC(C)C)c(OC)c1	779816042	GOEQPQWTRMQIGZ-UHFFFAOYSA-N	323.349	1.289	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(CC(C)C)cc1	771948953	KNTXXKVCCZGDGS-GFCCVEGCSA-N	320.389	1.988	50	20	DDGD	
O=C(COC(=O)[C@@H]1[C@H]2CCC[C@H]21)NNC(=O)c1cccs1	776696549	VEQLTBHTINYLOD-GDGBQDQQSA-N	308.359	1.098	50	20	DDGD	
COCCOCC(=O)NN=C1CC(C)(C)c2cc(OC)ccc21	872401205	KUMLKMXQSOZHNV-UHFFFAOYSA-N	320.389	1.860	50	20	DDGD	
O=C(NN=C1CCCc2c(F)cccc21)C(=O)N1CCCC1	872347797	XVSFBWWCZPHCFJ-UHFFFAOYSA-N	303.337	1.605	50	20	DDGD	
CC1(C)C[C@H](NC(=O)NNC(=O)CC(F)(F)F)C(C)(C)O1	779383628	BUSFCBKPUOMTKI-ZETCQYMHSA-N	311.304	1.615	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2nccs2)c1C	770102233	JXGUDGBNJJHBID-NSHDSACASA-N	319.386	1.988	50	20	DDGD	
CC(=NNC(=O)CSc1nc(C)cc(C)n1)c1cn(C)cn1	872327256	KWHQXRZAFMLBBA-UHFFFAOYSA-N	318.406	1.459	50	20	DDGD	
Cc1ccc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)cn1	771971477	ZXMQNPWIJWDGQR-LLVKDONJSA-N	307.350	1.129	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NN=Cc1ccc(O)cc1O	779806184	GOKBIBNJPFWNBI-UHFFFAOYSA-N	323.349	1.463	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1CCCC12OCCO2	889508827	OZHJODVNNNXTIA-ZDUSSCGKSA-N	319.361	1.235	50	20	DDGD	
CC(=O)N1CCC[C@@H](C(=O)NNc2nccnc2C(C)C)C1	772815426	LVDLTBRKHDCZIQ-GFCCVEGCSA-N	305.382	1.302	50	20	DDGD	
COc1cccc(C)c1NC(=O)C(=O)NNc1ncccc1C	773730098	KCBSCCRGFHWRJL-UHFFFAOYSA-N	314.345	1.789	50	20	DDGD	
CC[C@H](C)Oc1cc(C(=O)NNC(=O)CC(F)(F)F)ccn1	777522881	ZRBMIJWYZCYUPX-QMMMGPOBSA-N	319.283	1.972	50	20	DDGD	
Cl/C(=C/CBr)n1cc(CN2CCNCC2)nn1	881310456	IYZFUZQCNHYBEW-LAFDYMOFSA-N	320.622	1.115	50	20	DDGD	
CC1(C)CCN(CCNC(=O)NNc2ncncc2Cl)C1	1122247400	FLNLFQRXCBLARM-UHFFFAOYSA-N	312.805	1.488	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	788266137	UQNPTCQICMPRID-MRXNPFEDSA-N	314.345	1.165	50	20	DDGD	
C[C@H]1CC[C@@H](NC(=O)NNC(=O)COc2ccccc2O)C1	780784196	LMFDTIPBUBQMTA-WDEREUQCSA-N	307.350	1.290	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1cn(C)nc1-c1ccccc1	782528309	XVZHLQAFGPTEDI-UHFFFAOYSA-N	315.377	1.574	50	20	DDGD	
CCOCCOCCNC(=O)/C(C#N)=C/c1ccc(O)cc1	885756812	UJKHCHWDFHCKDQ-SDNWHVSQSA-N	304.346	1.468	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1c(F)cc(F)cc1F	885150682	GOQUMZOFURIQSM-UHFFFAOYSA-N	305.256	1.683	50	20	DDGD	
CC(C)(C)S(=O)(=O)CC(=O)NNc1c(F)cc(F)cc1F	885151436	CQFVLPXLJWAYEX-UHFFFAOYSA-N	324.324	1.760	50	20	DDGD	
C[C@H](CN(C)C)[C@@H]1CCCCN1S(=O)(=O)CCCCl	882432106	NDFZPTOVGAWYGL-OLZOCXBDSA-N	310.891	1.997	50	20	DDGD	
CS(=O)(=O)c1ccc(OS(=O)(=O)CCCCl)cc1	881750435	XKKDXQHPFVXJES-UHFFFAOYSA-N	312.796	1.428	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2ncncc2Cl)c1	782159847	WQXIKVOPRRMUCB-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
COCCc1ccccc1NC(=O)NNC(=O)c1cnccn1	786199295	UGTKMCMEYOVXEM-UHFFFAOYSA-N	315.333	1.132	50	20	DDGD	
CN(C)CCOCCNC(=O)NNc1c(F)cccc1Cl	788015042	WYLZZYRHDXHGHM-UHFFFAOYSA-N	318.780	1.683	50	20	DDGD	
CCn1cccc(CNC(=O)NNc2ccc(OC)cn2)c1=O	789841301	GNGOWKXWHZVIRW-UHFFFAOYSA-N	317.349	1.098	50	20	DDGD	
O=C1COc2cccc(OS(=O)(=O)CBr)c2N1	782476692	DKEWRLVTKUVNHR-UHFFFAOYSA-N	322.136	1.079	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNc2ccnc(N(C)C)n2)cc1C	895277237	WWZALYMEUWGNMW-UHFFFAOYSA-N	313.361	1.811	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCc2csc(C)n2)n1	794086198	RIGZLZVULQLRBY-UHFFFAOYSA-N	304.375	1.549	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2ccc(CC#N)cc2)n1	797610452	ARLPTLAMCCHRAZ-UHFFFAOYSA-N	309.329	1.923	50	20	DDGD	
CC(=O)c1csc(C(=O)NNC(=O)c2cccc(C)n2)c1	794082102	YJDHGQMGLVCITH-UHFFFAOYSA-N	303.343	1.729	50	20	DDGD	
Cc1cncc(CCC(=O)NNC(=O)c2cccc(C#N)c2)c1	794292212	DUGMHLQLOMZHFL-UHFFFAOYSA-N	308.341	1.656	50	20	DDGD	
CCn1cc(NC(=S)NNC(=O)c2cccc(C)n2)cn1	795010961	BBBDOUCWSNDVIO-UHFFFAOYSA-N	304.379	1.238	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1cnoc1C1CC1	1319340679	GRNAOWCZODTMBK-UHFFFAOYSA-N	315.333	1.229	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(C)ccc1NC(=O)N(C)C	1319273509	XYGNKAJNRJGOAD-UHFFFAOYSA-N	307.354	1.052	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)c1n[nH]c2c1CCCC2	1325939999	ADTUFHAVYWKDCF-SNVBAGLBSA-N	303.366	1.063	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccccc1Cl)[C@H]1CCC(=O)N1	1328756211	FSKDIWRFHYYOHX-GZMMTYOYSA-N	309.753	1.016	50	20	DDGD	
CC(=NNC(=O)C[n+]1ccccc1)c1ccc(C(=O)O)c(F)c1	1325010655	CQKGEEVGBMCKQK-UHFFFAOYSA-O	316.312	1.352	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@]2(C#N)CC23CCCC3)cc1	1324629114	CODTZUMFZDHNOR-QGZVFWFLSA-N	313.357	1.930	50	20	DDGD	
O=C(NCC(=O)N1CCCC1)NNc1ccc(F)cc1Cl	1335120692	DJUJBACKOWFOHV-UHFFFAOYSA-N	314.748	1.728	50	20	DDGD	
O=S(=O)(CBr)N1CCC[C@@H](n2ccnc2)C1	782434755	KTUVZRCJNYDELT-SECBINFHSA-N	308.201	1.202	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ccc3c(c2)OCCO3)c1Cl	1253163366	QAMRCCNLSKVGBT-UHFFFAOYSA-N	321.724	1.240	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)[C@@H]2CCc3nnc(O)n3C2)c1	1337196469	GQJBMFUNRXHGBM-LLVKDONJSA-N	301.350	1.306	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)C1CC1	1330878311	CCGKPYYDPLZERS-WYUUTHIRSA-N	312.483	1.542	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H]2CC[C@H]3C[C@H](C)CN3C2)n1	1350882662	YDNDNLFZQNXYSV-TUAOUCFPSA-N	305.382	1.049	50	20	DDGD	
N#C/C(=C\c1csc(-c2nn[nH]n2)c1)C(=O)NC1CCCC1	1606336742	JYDHSKYKDIMOKQ-BJMVGYQFSA-N	314.374	1.894	50	20	DDGD	
Cc1c(NNC(=O)C2(C)COC(C)(C)OC2)cccc1C(=O)O	1600051222	RCKYAWUPHWVLCN-UHFFFAOYSA-N	322.361	1.926	50	20	DDGD	
Cc1c(NNC(=O)c2ccc(C(N)=O)cc2)cccc1C(=O)O	1607553194	ZGBDFLHCGACUQP-UHFFFAOYSA-N	313.313	1.549	50	20	DDGD	
N#C/C(=C\c1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CCCOC1	1609492902	CWXWRFDTZCFDOW-JGWKKKPCSA-N	309.329	1.769	50	20	DDGD	
CC(=O)NNC(=O)N[C@@H](c1ccc(C(=O)O)cc1)C(F)(F)F	1603052136	GDLQTNWDLLLRJB-VIFPVBQESA-N	319.239	1.339	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@@H]1CNCCNc1ccc(-c2nn[nH]n2)cn1	1603834441	KESWQJXXDMRTAS-XRNSZHNASA-N	307.789	1.137	50	20	DDGD	
O=C(O)C1(C(=O)NNc2cc(O)nc3ncccc23)CC=CC1	1605935755	SENPIVNWEXXODX-UHFFFAOYSA-N	314.301	1.200	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ccc(C(=O)O)c(Cl)c1	1601553583	MYFLEIBMCJBDKV-UHFFFAOYSA-N	311.725	1.991	50	20	DDGD	
O=C(O)[C@H]1CCC[C@@H](C(=O)NNc2nc3ccccc3[nH]2)C1	1608621912	DKZDBPAKPLUHIK-ZJUUUORDSA-N	302.334	1.897	50	20	DDGD	
O=C(CCC(=O)NC1CCCC1)NNc1ccc(C(=O)O)cn1	1601260273	OYJWDFCBFNBTOT-UHFFFAOYSA-N	320.349	1.062	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1cc(F)ccc1Br	1610782802	BBZOZQHGSIYPND-UHFFFAOYSA-N	318.102	1.306	50	20	DDGD	
O=C(O)c1cncc(C(=O)NNC(=O)c2ccc(Cl)cc2)c1	1610862489	YPONXNGAIHGHSB-UHFFFAOYSA-N	319.704	1.508	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@H]1C=NNC(=O)c1ccon1	1553287884	ORVKRQMPTKPVJO-JQWIXIFHSA-N	303.322	1.292	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C[C@H]1CCNc2ccccc21	1579839410	KQJUFPXYWJPLBX-LLVKDONJSA-N	313.361	1.469	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)CC2(N)COC2)C1	1575263209	VBOKGTVXENGFQK-GFCCVEGCSA-N	314.502	1.727	50	20	DDGD	
COc1ccc(Br)c(NNC(=O)[C@@H](C)[C@@H](C)N)c1	1579186050	UVMJWNUJDOXHJG-JGVFFNPUSA-N	316.199	1.884	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@](C)(CN)CC(C)C)c1	1579773019	SJSMOSNMYYMLIL-KRWDZBQOSA-N	321.421	1.532	50	20	DDGD	
CCC1(C(=O)N2CC3(CCCN3C(=O)[C@@H](F)Cl)C2)COC1	1843365979	UZDZDHHPJIRDQV-SNVBAGLBSA-N	318.776	1.151	50	20	DDGD	
CC(C)[C@@H](C(=O)O)C(=O)Nc1cccc(NC(=O)NN(C)C)c1	1588809309	KONVXEMBXXLJQW-GFCCVEGCSA-N	322.365	1.580	50	20	DDGD	
COCCN(CC(C)C)NC(=O)[C@H]1CC[C@@H](CCC(=O)O)O1	1599234909	MFNOADUJNRAZJE-QWHCGFSZSA-N	316.398	1.034	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)COCC)C2	1841667392	IUHAPKILCFLAHB-GFCCVEGCSA-N	316.829	1.634	50	20	DDGD	
CC(C)c1ccc(NNC(=O)NC[C@H]2CCO[C@H]2C(=O)O)cc1	1591974375	TXCUIEYGEOXWOD-TZMCWYRMSA-N	321.377	1.926	50	20	DDGD	
O=C(O)C1=NO[C@H](C(=O)NNc2ccc(Cl)cc2F)C1	1594889812	MLKJIWJOYIYTNO-VIFPVBQESA-N	301.661	1.152	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)Nc1ccn(CC(=O)O)n1	1593640129	PJQMAEYDOLIDJH-UHFFFAOYSA-N	317.349	1.987	50	20	DDGD	
CNc1ccc(C(=O)NNc2ccc(C)c(C(=O)O)c2)cn1	1598678183	JJVJDRYJYCYQFX-UHFFFAOYSA-N	300.318	1.887	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NN=C(C)c1cc(C(=O)O)c(C)nc1C	1776102398	OTPRFYHETVDCSN-KGLIPLIRSA-N	319.361	1.662	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2sccc2C(=O)O)cc1	1776101469	JQTBRBGEVYPNRG-UHFFFAOYSA-N	318.310	1.908	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2ccc(O)c(O)c2O)cc1	1776099116	QFBBEJHHNULZHB-UHFFFAOYSA-N	316.269	1.266	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C/c1cnc2ccc(C(=O)O)cn12	1776825493	LHFIJJPAYXOKCO-WUXMJOGZSA-N	319.342	1.722	50	20	DDGD	
O=C(O)COc1cccc(C=NNC(=O)c2nccs2)c1	1776109388	GSLQPLBJRCUPFV-UHFFFAOYSA-N	305.315	1.370	50	20	DDGD	
C/C=C/C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](Cl)CC)C2)C1	1781219482	NXUJMFOMIVQVSI-BYSCNOHMSA-N	314.813	1.410	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@@H]1CCO[C@H](C2CC2)C1	160534419	HVLHUKDOBHELRN-ZJUUUORDSA-N	311.773	1.714	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cccnc1-n1cccn1	151139804	OATICEQARMCXEV-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
Cc1cc(C)c2cc(C(=O)NNC(=O)c3cc(C)n[nH]3)[nH]c2c1	153024783	GDQXVXIGVPQYKM-UHFFFAOYSA-N	311.345	1.891	50	20	DDGD	
Cc1sc(=O)n(CCC(=O)NNc2ccc(C#N)cc2)c1C	155238975	PSJRICYITJKEAM-UHFFFAOYSA-N	316.386	1.932	50	20	DDGD	
CCc1ccccc1CNC(=O)NNc1nccc(OC)n1	155761001	JUJXFOSCNHCYOO-UHFFFAOYSA-N	301.350	1.874	50	20	DDGD	
CSCC[C@@H](N)C(=O)NNC(=O)CCCc1ccccc1	157283689	DZUIXTZOLWCCEK-CYBMUJFWSA-N	309.435	1.237	50	20	DDGD	
COc1ccccc1C(=O)NCC(=O)NNc1cccc(F)c1	155428579	KIGKNUQGAQYRMC-UHFFFAOYSA-N	317.320	1.707	50	20	DDGD	
CCc1nn(C)c(Cl)c1C(=O)NNC(=O)OC(C)(C)C	156584530	RIVMDRYHMGIBTP-UHFFFAOYSA-N	302.762	1.805	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccc2[nH]cnc2c1	55351951	FXPMOKAIYYVBDS-UHFFFAOYSA-N	324.340	1.575	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC2CCCC2)c(N)c([N+](=O)[O-])c1	104877695	ONCHUIQFXJWQEH-UHFFFAOYSA-N	320.349	1.827	50	20	DDGD	
CNC(=O)NNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1	110660662	SRPYVSZEBPAFND-ZDUSSCGKSA-N	318.421	1.290	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC[C@H]1CCCOC1)c1ccccc1	171838677	PXNNOPYAPMOGSG-UKRRQHHQSA-N	319.405	1.937	50	20	DDGD	
C[C@H](CCCc1ccccc1)C(=O)NNC(=O)C(=O)NC1CC1	179596629	QZTPZDXAWYFFDR-GFCCVEGCSA-N	317.389	1.071	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCCCCOC)c1ccccc1	111456946	JQNVZDSDQWDKTM-CQSZACIVSA-N	307.394	1.937	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCCN(C)C(C)C)c1ccccc1	111494145	RWSXZWDTLRMKEJ-HNNXBMFYSA-N	320.437	1.851	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCNC(=O)C(C)(C)C)cc1	66962772	UBKXQUMWMJKCQR-UHFFFAOYSA-N	319.405	1.562	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC(c2ccc(O)cc2)CC1	111197609	XYDOAOMRVAVSAT-LBPRGKRZSA-N	319.405	1.518	50	20	DDGD	
CC[C@@H]1CN(CC(=O)NNC(=O)c2ccc(F)cc2)C[C@H](C)O1	111273656	UOQUQYSEWRIDTF-SMDDNHRTSA-N	323.368	1.086	50	20	DDGD	
CCNC(=O)c1ccc(NC(=O)NNC(=O)C(C)(C)C)c(C)c1	179780083	ZLQIOVXLBFCIPT-UHFFFAOYSA-N	320.393	1.944	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)c2cnn(-c3ccccc3)c2)c1	176728570	VIYMUQIFZLAIOH-UHFFFAOYSA-N	321.340	1.902	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2occc2C)cc1OC	26961744	WYNPRMVRQLXONM-UHFFFAOYSA-N	304.302	1.680	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2CCOC2)cc1	69318301	JENSOCIVKFCKAL-VXGBXAGGSA-N	322.361	1.037	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Cc1ccc(Cl)c(Cl)c1	113425102	SLQULKRWVFMWHI-UHFFFAOYSA-N	304.177	1.245	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C(F)(F)C(F)F	175767216	AWMAKUXCJDHYDF-UHFFFAOYSA-N	308.231	1.286	50	20	DDGD	
CCNC(=O)NNC(=O)c1cccnc1Nc1ccccc1F	65190248	CKSYLBQMFLGCAR-UHFFFAOYSA-N	317.324	1.928	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1F	124730584	GWBPJIKFUJDIGV-ZETCQYMHSA-N	315.732	1.611	50	20	DDGD	
NC(=O)NCCCCC(=O)NNc1cc(F)c(F)c(F)c1	175516399	IRRMDUSCXZWIQT-UHFFFAOYSA-N	304.272	1.386	50	20	DDGD	
Cc1c(Cl)cccc1NC(=O)C(=O)NNc1ncccn1	120073638	NOKHDMYAPDBPDB-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)C1=Cc2ccccc2OCC1	186949361	LNYGJNSQQIOUAU-LLVKDONJSA-N	324.402	1.807	50	20	DDGD	
C#Cc1cccc(NC(=O)C(=O)NNc2cccc([N+](=O)[O-])c2)c1	181488410	KCIIYGCAUGJAMD-UHFFFAOYSA-N	324.296	1.658	50	20	DDGD	
C[C@@H](OCC1CC1)C(=O)NNc1nc(-c2ccccc2)no1	76461414	PCMCUFLGEDSPGK-SNVBAGLBSA-N	302.334	1.995	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)C[C@H](C)c2ccncc2)n1	129737109	HPBIFQURNTXGGL-NSHDSACASA-N	315.377	1.236	50	20	DDGD	
Cn1cc(NC(=O)NNC(=O)c2cccc3ncccc23)cn1	183224208	KDYQWGNPJVNLDG-UHFFFAOYSA-N	310.317	1.435	50	20	DDGD	
O=C(/C=C\c1ccc2c(c1)OCO2)NNC(=O)c1ccncc1	214923818	CWIGGUQBRXOUBQ-RQOWECAXSA-N	311.297	1.285	50	20	DDGD	
COCC(=O)N[C@H](C(=O)NNc1ccc(Cl)cc1)C(C)C	120265243	XMWOFKVSHDEPQL-ZDUSSCGKSA-N	313.785	1.570	50	20	DDGD	
C[C@@H]1CCC[C@H]1CC(=O)NNc1nccc(N2CCOCC2)n1	184038373	ZHIVOJFYLAHKMV-OLZOCXBDSA-N	319.409	1.583	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cccnc2S)cc1	73314653	GIQSOGYCLLWTGC-UHFFFAOYSA-N	316.386	1.552	50	20	DDGD	
O=C(CC(=O)NNc1ccc(F)cc1F)NCC(F)(F)F	182144846	KPTQDPISYVMDEZ-UHFFFAOYSA-N	311.210	1.477	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)Cc1cccc(F)c1	77230250	VGGHYNKXDSWOJL-UHFFFAOYSA-N	316.332	1.732	50	20	DDGD	
O=C(CNC(=O)c1ccccc1)NNc1ccc(F)cc1F	78532646	QTACAXDZJHGURC-UHFFFAOYSA-N	305.284	1.838	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C2CC=CC2)cc1OC	76940220	UTIVXQOFPVYTGW-UHFFFAOYSA-N	304.346	1.821	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Cc2ccc(-n3cccn3)cc2)n1	192632252	NSVYAFRSJPCENG-UHFFFAOYSA-N	322.372	1.965	50	20	DDGD	
COc1cccc([C@H](C)C(=O)NNC(=O)NCC(F)(F)F)c1	193854518	BXYKWTUKPNCDGD-QMMMGPOBSA-N	319.283	1.691	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cc3occc3[nH]2)cc1	132856978	LDVXKUXDVAYOPO-UHFFFAOYSA-N	313.313	1.909	50	20	DDGD	
CC(C)N1CCC(NC(=O)NNC(=O)OC(C)(C)C)CC1	43179412	PEXYZRKIHAACDN-UHFFFAOYSA-N	300.403	1.598	50	20	DDGD	
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCC(Cl)Cl	380697433	WEZJDPKYPSQYKH-UHFFFAOYSA-N	317.125	1.816	50	20	DDGD	
Cc1c([C@H](C)NC(=O)NNC(=O)c2ccccc2O)cnn1C	47007176	MDXWOMGBBOOTNI-VIFPVBQESA-N	317.349	1.139	50	20	DDGD	
C[C@@H]1C[C@@H]1CNC(=O)NNC(=O)Cc1nc2ccccc2n1C	47099257	UBAMMYFZVUYIBT-GHMZBOCLSA-N	315.377	1.102	50	20	DDGD	
O=C(Cc1cnn(-c2ccccc2)c1)NNC(=O)c1ccccc1	198943985	RTCGPDSFQWFTSN-UHFFFAOYSA-N	320.352	1.876	50	20	DDGD	
CCNc1nc(C(=O)NNC(=O)c2cccc(C#N)c2)cs1	132670415	UIESRYCZLJJOED-UHFFFAOYSA-N	315.358	1.521	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCC(=O)N(C)Cc1ccccc1	193713998	IAWCWOBFCRMQII-GXDHUFHOSA-N	301.346	1.205	50	20	DDGD	
COC(=O)NNC(=O)c1nc(-n2nc(C)cc2C)ccc1Cl	192592210	DPIVYZMZIGCJDJ-UHFFFAOYSA-N	323.740	1.538	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)C(C)(C)C)N1C[C@@H](C)O[C@H](C)C1	249801897	CXLKISDGAOZTJT-JHJVBQTASA-N	313.442	1.314	50	20	DDGD	
C[C@H]1CCCN([C@H](C)CNC(=O)NNC(=O)OC(C)(C)C)C1	249531830	ZTTBEERYHBWTLV-NWDGAFQWSA-N	314.430	1.846	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1nccnc1Cl	265135537	GWOUBGMEJPQKNE-ZETCQYMHSA-N	315.761	1.486	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)cc1OC	269325068	AHQOKJFMNVYKLL-ZDUSSCGKSA-N	322.361	1.424	50	20	DDGD	
COc1ccccc1O[C@H](C)CNC(=O)NNc1ncccn1	266742916	CFJDRAHIRRDBOJ-LLVKDONJSA-N	317.349	1.579	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@@H]1C[C@H]2CC[C@H]1O2	265076915	VLQIDIQWDZGJMV-IJLUTSLNSA-N	300.318	1.747	50	20	DDGD	
CN1C(=O)c2ccc(NC(=O)CN3CC=C(C#N)CC3)cc2C1=O	272722476	ZTNUWKQEEBUAAJ-UHFFFAOYSA-N	324.340	1.007	50	20	DDGD	
O=C(NNC(=O)c1ccc(-n2ccnn2)cc1)NC1CCCC1	270449313	MVTGVRBDGUVUKB-UHFFFAOYSA-N	314.349	1.154	50	20	DDGD	
COc1cc(C(C)=O)ccc1OS(=O)(=O)CBr	271446638	WHQLJPUHIDONQD-UHFFFAOYSA-N	323.164	1.959	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)NCC1CCC1	270481743	FXEXPHDDLBPYLL-UHFFFAOYSA-N	323.418	1.918	50	20	DDGD	
O=C(Cc1cccc(N2CCCC2=O)c1)NNc1ncccn1	279689592	HYXZZHHLHQLYTH-UHFFFAOYSA-N	311.345	1.289	50	20	DDGD	
CC#CC(=O)NNC(=O)c1ccc(OCCC(C)C)c(OC)c1	278571308	IUXGPLPMPPTBST-UHFFFAOYSA-N	318.373	1.904	50	20	DDGD	
N#CC1=CCN(C(=O)CNC(=O)N2CCc3ccccc3C2)CC1	270943728	NCZDGMDFNDKHMP-UHFFFAOYSA-N	324.384	1.437	50	20	DDGD	
C[C@H]1C[C@@H](CCNC(=O)NNC(=O)Cc2ccncc2)CCO1	273065918	INGMQJFDHPOJRV-JSGCOSHPSA-N	320.393	1.160	50	20	DDGD	
CO[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1cccc(C)n1	279874471	JUTSXWRZVVXKHM-DGCLKSJQSA-N	306.366	1.292	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCNC(=O)CC(C)C)c1	272805080	KBCZYSJFFYOZQL-UHFFFAOYSA-N	321.377	1.469	50	20	DDGD	
Cc1ncc2c(n1)CC[C@@H](NC(=O)NNC(=O)OC(C)(C)C)C2	373933301	LDHDMSPKKBFHTD-LLVKDONJSA-N	321.381	1.381	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@H]1CCCSC1	288064715	STQFRPJAHYOTNZ-LLVKDONJSA-N	323.418	1.782	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)n1	377926870	OPBJMAXUGDHPEB-SGMGOOAPSA-N	319.409	1.581	50	20	DDGD	
O=C1CSc2cc(C(=O)NNC(=O)c3ccc[nH]3)ccc2N1	377882870	HBHXLSYDXSJAQC-UHFFFAOYSA-N	316.342	1.134	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C1CC1	287137383	NMWYFEMCFHHSMP-ZDUSSCGKSA-N	304.346	1.410	50	20	DDGD	
O=C(C[C@H]1COC(=O)C1)NNC(=O)Nc1ccc(Cl)cc1	283769899	OXTUFRRHGDIQQF-MRVPVSSYSA-N	311.725	1.446	50	20	DDGD	
CCCN(NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)OC(C)(C)C	286566260	REJIZKCRGWUNLP-UHFFFAOYSA-N	313.314	1.610	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1	286234490	GEKMAQUIFRHARX-CYBMUJFWSA-N	319.361	1.268	50	20	DDGD	
CC[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CCCCO1	295287162	DCZPCOIQUWJSPW-GXTWGEPZSA-N	324.352	1.700	50	20	DDGD	
CCC(=O)N1CC[C@@H](NC(=O)NNc2cccc(Cl)n2)C1	293144656	WKGJCMMAELJGBH-SECBINFHSA-N	311.773	1.372	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NNc1ncncc1F	293978192	KVIQTKBPGSMAOX-UHFFFAOYSA-N	313.333	1.364	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@H]2CCCCO2)c2[nH]ncc12	296765085	VDNBRTYMKPYHNG-GFCCVEGCSA-N	317.349	1.593	50	20	DDGD	
COC(=O)c1nn(C)c(C)c1/C=C(\C#N)C(=O)NC1CCCC1	291998190	XGGCSDPFBXQFDQ-DHZHZOJOSA-N	316.361	1.481	50	20	DDGD	
Cc1cccc(CC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1Cl	294347276	UJQOPHLYBVSOOB-JQWIXIFHSA-N	310.781	1.906	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1cn2ccccc2n1)C(C)(F)F	293115125	DHUGZAUBEKYSTB-VIFPVBQESA-N	310.304	1.316	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@@H]1C[C@@H]1c1cccc(F)c1	296402416	QSEWESJLSJUKCD-MCIONIFRSA-N	321.352	1.581	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCCOc1ccc(F)cc1	299419225	UIPRLFUMCICTKZ-UHFFFAOYSA-N	311.357	1.971	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc2c(c1)COC2	807372134	ZDHWRHLBFSMGMB-UHFFFAOYSA-N	322.361	1.267	50	20	DDGD	
Cc1ccc(CCC(=O)NNC(=O)NCC(F)(F)F)s1	290417958	GADJLBNPFGQEPW-UHFFFAOYSA-N	309.313	1.882	50	20	DDGD	
O=C(C[C@@H]1C=CCC1)NNC(=O)Nc1ccc2c(c1)OCO2	802095368	AXWBJYCZXQCXOD-SNVBAGLBSA-N	303.318	1.924	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)CCc1ccc(OC)cc1)OC	291072409	XGNDLWQRZRPMCC-ZDUSSCGKSA-N	323.393	1.383	50	20	DDGD	
CCSc1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)cn1	802032174	BVHRARIZWDWATD-UHFFFAOYSA-N	317.374	1.477	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CC[C@@H](C)C2)cc1	801109072	ZXXJNMZOXLEMNJ-NEPJUHHUSA-N	303.362	1.517	50	20	DDGD	
CC(C)OC(=O)[C@@H](C)CNC(=O)NNc1ncc(F)cc1F	298025182	RUODSGREKAPKGD-QMMMGPOBSA-N	316.308	1.574	50	20	DDGD	
O=C(NNc1ncccn1)C(=O)Nc1cccc(C2CCC2)c1	291771695	ODJCKKKLLVJIIE-UHFFFAOYSA-N	311.345	1.826	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@](C)(O)C2CCC2)cc1C	813365814	GKXCYIRNLSTAKW-KRWDZBQOSA-N	320.389	1.381	50	20	DDGD	
COc1ccc2cc(C(=O)NNc3cnnn3C)c(C)nc2c1	816771361	JLQBUOMZCBWFQL-UHFFFAOYSA-N	312.333	1.437	50	20	DDGD	
C[C@H](CC(=O)NNc1ccccc1S(C)(=O)=O)n1cccn1	819393311	DHTGDHGBKXLEHQ-LLVKDONJSA-N	322.390	1.381	50	20	DDGD	
Cc1c(C(=O)NN(C)C2CC2)nnn1-c1cccc2cccnc12	819648022	VTVGEVMUZMIMLZ-UHFFFAOYSA-N	322.372	1.863	50	20	DDGD	
CS(=O)(=O)C[C@@H](C(=O)NNc1ccccc1)c1ccccc1	816840642	WLEQYEOUDSIOSU-OAHLLOKOSA-N	318.398	1.958	50	20	DDGD	
CN(NC(=O)c1cnc(Cl)c(Br)c1)C(N)=O	816958143	FTGFSWZHEDBNNY-UHFFFAOYSA-N	307.535	1.153	50	20	DDGD	
CN(C)c1cc(C#N)cc(C(=O)NNC(=O)c2ccccc2O)c1	814405358	HDBALDJAFYESOU-UHFFFAOYSA-N	324.340	1.405	50	20	DDGD	
CC1(C)CN(/C(=C\C#N)c2cccc([N+](=O)[O-])c2)C[C@H](CO)O1	817277578	KIFLOPFWAIUWQS-IJENKCAZSA-N	317.345	1.931	50	20	DDGD	
NC(=O)c1ccc(F)c(NC(=O)NNc2ncncc2F)c1	814615814	JEKQGNBXPBHDJM-UHFFFAOYSA-N	308.248	1.002	50	20	DDGD	
CCOc1ccc(NNC(=O)c2cnn3c(=O)cc[nH]c23)cc1	817921339	SHALRNVNYSVVPB-UHFFFAOYSA-N	313.317	1.178	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)NCc1cccc(C(=O)O)c1	819976747	AGLBOXZALBTZIF-UHFFFAOYSA-N	307.350	1.651	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NNC(=O)c1ccnnc1	817693325	MVSJMRJXRHIOSE-DGCLKSJQSA-N	306.366	1.223	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2cnc(OC)s2)cc1	812223654	GXBKYCLQKFKXGU-UHFFFAOYSA-N	321.358	1.689	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@H]1C[C@]12CCOC2	822732465	YZCDOZNFYRWALQ-PSLIRLAXSA-N	308.309	1.482	50	20	DDGD	
COCCN(C)NC(=O)CCN(C)C(=O)OCc1ccccc1	496685960	QIZBESNRSONCIL-UHFFFAOYSA-N	323.393	1.255	50	20	DDGD	
CC(C)CO[C@H]1CCN(C(=O)/C(C#N)=C/c2cnn(C)c2)C1	491109193	ZMFAJKPJBHSJDS-HVJNQHDOSA-N	302.378	1.601	50	20	DDGD	
CC1(OCC(=O)NNc2cccc(-c3nn[nH]n3)c2)CCC1	824844557	XZVVFUSVCGAUQH-UHFFFAOYSA-N	302.338	1.269	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H](C)NC(=O)OC(C)(C)C	495855086	ADKXXQBLVFJPMB-JTQLQIEISA-N	323.397	1.956	50	20	DDGD	
COc1cccc2c1OC[C@@H](NC(=O)NNC(=O)CC(C)C)C2	728397992	AGLFPLDVVCINQJ-LBPRGKRZSA-N	321.377	1.375	50	20	DDGD	
COC(=O)NCCC(=O)NNc1ccc([N+](=O)[O-])cc1Cl	493942989	XTJVPFGSZBMEGA-UHFFFAOYSA-N	316.701	1.437	50	20	DDGD	
N#C/C(=C/c1c[nH]nc1-c1ccc2c(c1)OCO2)C(=O)NC1CC1	490609737	AZESFRDBGKTEMG-WZUFQYTHSA-N	322.324	1.991	50	20	DDGD	
C[C@@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(C)(C)CN(C)C	491050784	QTFQFLLMLNEXQX-AISSWFOISA-N	303.410	1.420	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H](Oc1ccccc1)C(C)(C)O	822245127	SJPDBMYPZSHYIT-LBPRGKRZSA-N	308.378	1.398	50	20	DDGD	
COCC[C@H](C)CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	491129050	FYNSGEGSQXBXSD-QNKXHIPISA-N	314.389	1.901	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(Oc2ccccc2)cn1	823928211	LGSNHZAOCOEAGQ-LBPRGKRZSA-N	301.346	1.831	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F	823855779	GATIGCGKRPHSSJ-SNVBAGLBSA-N	320.311	1.818	50	20	DDGD	
Cn1nc(C(F)(F)F)cc1C(=O)NNC(=O)C1CCCC1	822474515	OVESUIXAZOYLIV-UHFFFAOYSA-N	304.272	1.390	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CSc1nccc2ccccc12	823947080	SIORJLUBRKTTRR-LLVKDONJSA-N	305.403	1.671	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccccn2)n(C(C)(C)C)n1	726872745	SDGHDGGNBIEAPD-UHFFFAOYSA-N	316.365	1.808	50	20	DDGD	
Cc1ncsc1C(=O)NN=Cc1cc(-c2nn[nH]n2)cs1	822482315	PIZWQHJCSXALIL-UHFFFAOYSA-N	319.375	1.457	50	20	DDGD	
CC(Cc1ccncc1)=NNC(=O)CNC(=O)OC(C)(C)C	494433115	DDJBGHUSNBWCLJ-UHFFFAOYSA-N	306.366	1.641	50	20	DDGD	
CC(C)N1CCC[C@@H](NC(=O)/C(C#N)=C/c2cnn(C)c2)C1	491009305	JSAOSFAENXPSOU-KEQVLUGWSA-N	301.394	1.316	50	20	DDGD	
C[C@H](CSc1ccc(F)cc1)C(=O)N1CC[C@H](B(O)O)C1	585065621	HXVKPHLVFGDORA-MNOVXSKESA-N	311.187	1.629	50	20	DDGD	
Cc1ccoc1CC(=O)NNC(=O)c1ccc2c(c1)OCCO2	820113859	DDRLOPXPJFLYNB-UHFFFAOYSA-N	316.313	1.363	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@@H](C)c2ncn(C)n2)cc(C#N)n1C	490905727	AJGJQXGQFWMKLL-JHXMEDKLSA-N	323.360	1.118	50	20	DDGD	
COCCN(CCN(C)C)C(=O)[C@@]1(C)C[C@@H]1Br	906578620	HBWIXYCEVYTKLI-JQWIXIFHSA-N	307.232	1.197	50	20	DDGD	
O=C(CSC1COC1)NNC(=O)c1ccccc1Cl	901642216	JNGQIGDLJYJWDK-UHFFFAOYSA-N	300.767	1.233	50	20	DDGD	
C[C@]1(c2cccs2)C[C@H]1CNC(=O)c1ccc(B(O)O)cc1	584944780	NAVUGONIMNVEES-LRDDRELGSA-N	315.203	1.136	50	20	DDGD	
CCO[C@H](CCN(C)C)CNC(=O)[C@@]1(C)C[C@@H]1Br	906941159	LZEDNCIXZWESAN-MDZLAQPJSA-N	321.259	1.633	50	20	DDGD	
COCCCNC(=O)NN=Cc1cc(Cl)ccc1[N+](=O)[O-]	739409949	LEMOFQVYMRMUSO-UHFFFAOYSA-N	314.729	1.918	50	20	DDGD	
CN(NC(=O)c1sccc1-c1nn[nH]n1)c1ccccc1	736841230	AUYANQRZDDCQEG-UHFFFAOYSA-N	300.347	1.709	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCCC2CC(O)C2)cc(C#N)n1C	491177365	WEFWCHWAIXKKKL-AUWJEWJLSA-N	312.373	1.389	50	20	DDGD	
CCOC(=O)NNC(=O)c1nc(Br)sc1C	495853786	BFMMPQVFKULDJI-UHFFFAOYSA-N	308.157	1.605	50	20	DDGD	
O=C(NC1CCC2(CCCC2)CC1)c1cc(B(O)O)ccc1F	585007082	UZPGWLXLNVZLIN-UHFFFAOYSA-N	319.185	1.738	50	20	DDGD	
O=C(O)CSCCC(=O)NNC(=O)CCC1CCCCC1	739846307	NLPYXZNQFOFBFI-UHFFFAOYSA-N	316.423	1.702	50	20	DDGD	
CN(NC(=O)[C@H]1C[C@@]12CCN(C(=O)OC(C)(C)C)C2)C1CC1	496165397	DAOCPFBJTFOXRW-MLGOLLRUSA-N	309.410	1.759	50	20	DDGD	
CC(C)(C)c1ccc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1	730575861	JEFAOYQYARXEQF-CYBMUJFWSA-N	322.430	1.869	50	20	DDGD	
Cc1cnn(C)c1C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	839470744	QGPJFNGQPJPWPB-SNVBAGLBSA-N	320.324	1.096	50	20	DDGD	
C=CCONC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	838702894	YPUPUMUBAPSYDA-VIFPVBQESA-N	309.391	1.935	50	20	DDGD	
C[C@@H]1CCC[C@@H](C)C1NC(=O)NNC(=O)N=c1cc[nH]cc1	838504209	VWAKIDVZZINTLK-GHMZBOCLSA-N	305.382	1.664	50	20	DDGD	
O=C(NNC(=O)c1cccc2ncccc12)NOC1CCC1	836569942	OMEAWQZDSUMCET-UHFFFAOYSA-N	300.318	1.663	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)[C@@H]1CCCc2nn[nH]c21	831749904	KXZZEGGDAXTZKJ-LLVKDONJSA-N	308.345	1.916	50	20	DDGD	
CO[C@H]1COCC[C@@H]1CNC(=O)NNc1ccc(Cl)nc1	838657201	CUGGRRGOAPMBCU-KOLCDFICSA-N	314.773	1.413	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@H](C)CC(=O)O)c(Cl)c1	832948619	UGVWJJGKPAWMDH-MRVPVSSYSA-N	313.741	1.912	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc(C(=O)O)c(F)c1	832977759	XSEHCRDSOCZALE-UHFFFAOYSA-N	316.288	1.907	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)ccc1F	909278303	WWSJMIHZYUQELQ-OXHMUOHRSA-N	306.293	1.281	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1	732751899	VDOZQVCZKOPVGO-STQMWFEESA-N	309.410	1.219	50	20	DDGD	
Cc1cc(N2CCC(NS(=O)(=O)CCl)CC2)nc(C)n1	830799788	UBGXFNIKKJXPEL-UHFFFAOYSA-N	318.830	1.178	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNC(=O)c1cccc(Cl)c1	836603920	ASJZOEZLMSVGPP-NEPJUHHUSA-N	309.753	1.628	50	20	DDGD	
O=C(c1cc(Cl)nc2ccccc12)N1CC[C@@H](B(O)O)C1	585079256	WAZIANWHIFOABR-SECBINFHSA-N	304.542	1.577	50	20	DDGD	
O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccc(B(O)O)cc1	584926406	NEGCJDFPBTVHPP-XNRPHZJLSA-N	301.195	1.455	50	20	DDGD	
C[C@@H]1CN(CCC(=O)NNC(=O)C[C@@H](C)C2CC2)C[C@@H](C)O1	732258751	HAIAJLNSPYIWOH-JHJVBQTASA-N	311.426	1.069	50	20	DDGD	
O=C(CNc1ccccc1F)NN=Cc1ccc([N+](=O)[O-])o1	915920081	NBZZMSFNHBFCHD-UHFFFAOYSA-N	306.253	1.889	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@@H]1C[C@H]1c1ccccc1F	838754474	BRZLBAAJWMCLDN-YUTCNCBUSA-N	321.352	1.581	50	20	DDGD	
CCOCCCN1CC[C@H](NS(=O)(=O)CCl)[C@H](C)C1	830534899	IPJAXEHASFVFAV-NEPJUHHUSA-N	312.863	1.239	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1ccc2c(c1)OCCCCO2	834438284	MPQQPYZQIZDMKE-UKTHLTGXSA-N	322.386	1.994	50	20	DDGD	
CCSc1ccccc1CC(=O)NNC(=O)[C@H]1CCO[C@H]1C	911503475	VGNFRVCDCDJOCJ-AAEUAGOBSA-N	322.430	1.914	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1nc(C2CCC2)cs1	831781514	QWBLEMPXGXEXAD-WCBMZHEXSA-N	324.406	1.988	50	20	DDGD	
C=C(C)CCNC(=O)NNC(=O)COc1ccccc1CC	838661341	UOWLURZPBFUSRB-UHFFFAOYSA-N	305.378	1.924	50	20	DDGD	
CO[C@@H]1CN(S(=O)(=O)c2ccc(CCl)cc2)CCO1	914415984	DNJQSDTXNVTNAB-LBPRGKRZSA-N	305.783	1.419	50	20	DDGD	
CC(C)CNC(=S)NNC(=O)Cc1c[nH]c2ccccc12	916123656	AWVOUQJXMGDQQL-UHFFFAOYSA-N	304.419	1.862	50	20	DDGD	
CCN(CC)CCC(=O)NNC(=S)N[C@@H](C)c1ccccc1	915996982	PFAGOTWRBFVJCX-ZDUSSCGKSA-N	322.478	1.975	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)c1	913823741	PVXZCNBOABZHDP-MRVWCRGKSA-N	313.382	1.211	50	20	DDGD	
COC(=O)c1coc(CNC(=O)[C@@]2(C)C[C@H]2Br)n1	911896135	BKBILZVUCXHYAT-HQJQHLMTSA-N	317.139	1.251	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC[C@H](C)CN)c2ccccc2n1	841963862	WMPRODMIGLCXEX-SNVBAGLBSA-N	315.377	1.082	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cc1cc2ccccc2o1	843648253	PNXRDTQQMPODHP-ZWNOBZJWSA-N	302.330	1.548	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H]1CCCCO1)c1cccs1	840775595	RAQDJEGUTQLGDZ-UWVGGRQHSA-N	313.448	1.874	50	20	DDGD	
COC/C(C)=C/C(=O)NNC(=O)c1ccc(OC)cc1OC	844377881	KBHZGCZCVZMVFZ-JXMROGBWSA-N	308.334	1.058	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2ccc(C(=O)O)[nH]2)cc1	749813058	WFYRKQXTMVVWED-UHFFFAOYSA-N	317.301	1.251	50	20	DDGD	
COCCOc1ccccc1C=NNC(=O)[C@H]1CCO[C@@H]1C	842554126	MZDBCBDICLOBGK-OCCSQVGLSA-N	306.362	1.587	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccc(Cl)n2)cc1	749470852	RMJHRIRQZNGIKX-UHFFFAOYSA-N	305.721	1.818	50	20	DDGD	
CCn1ncnc1C=NNC(=O)[C@@H](C)Oc1ccc(F)cc1	848403531	WWZZYVWPCOWPSZ-SNVBAGLBSA-N	305.313	1.355	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C	910168740	VIRWSOBQKHWCTL-NEPJUHHUSA-N	315.414	1.120	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)COc1ccccc1C#N	749758959	VJALRPFRPZVJNO-JTQLQIEISA-N	306.391	1.231	50	20	DDGD	
O=C(Cc1ccn(-c2ccc(F)cc2)n1)NNc1ncccn1	742043967	QNRASPJNQGXTFM-UHFFFAOYSA-N	312.308	1.487	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1ccc2n[nH]cc2c1	746591232	ADBGDTCYWINSKV-UHFFFAOYSA-N	321.300	1.765	50	20	DDGD	
Cc1noc2ncc(C(=O)NNC(=O)Nc3ccccc3)cc12	742711063	MTSYVKXZOTZSSF-UHFFFAOYSA-N	311.301	1.998	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C(C)[C@H]1CCOC1	741756134	ATCIYSBXDAVVKD-ZDUSSCGKSA-N	306.362	1.993	50	20	DDGD	
CC[C@H](C)CONC(=O)NNc1ncc(Br)cn1	847376340	UVIWVXOPSCIMAK-ZETCQYMHSA-N	318.175	1.843	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CS1	840419740	XMDMZKDEDIHVBA-WPRPVWTQSA-N	324.362	1.433	50	20	DDGD	
O=C(NN=C1CN2CCC1CC2)Nc1ccc(C(=O)O)cc1	743444352	JMABBNNHRBFJMX-UHFFFAOYSA-N	302.334	1.588	50	20	DDGD	
Cc1cc(C)c2cc(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)[nH]c2c1	843977578	UEVTXNMCUPLBFE-VXGBXAGGSA-N	315.373	1.971	50	20	DDGD	
CC1CCN(C[C@@H](C)C(=O)NN=C2C[C@@H](C)n3ncnc32)CC1	841614453	LSWZCULFEKQTDU-CHWSQXEVSA-N	318.425	1.431	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@H](C)OCC2CC2)cc1	846371402	CZBORJQQBXJFIZ-NSHDSACASA-N	306.362	1.660	50	20	DDGD	
C=C[C@H](C)ONC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	845638083	CFJLXWLYBASZPW-VHSXEESVSA-N	311.313	1.430	50	20	DDGD	
O=C(NNS(=O)(=O)c1cnc[nH]1)c1cccc2ccccc12	741656149	RBEDNKQSMLDXHG-UHFFFAOYSA-N	316.342	1.186	50	20	DDGD	
CO[C@H](CS(=O)(=O)NNC(=O)c1ccccc1F)C(C)C	842573569	MSNAMHGKBKDDOF-GFCCVEGCSA-N	318.370	1.061	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNc1nccc(N(CC)CC)n1	846639940	WGDGHFDGLLDCQN-UHFFFAOYSA-N	302.382	1.970	50	20	DDGD	
CCn1cc(C(=O)NNC(=S)NCCc2cccs2)cn1	753080713	ZSXSWSNVGHTBAS-UHFFFAOYSA-N	323.447	1.316	50	20	DDGD	
CN(C[C@H]1CC1(C)C)C(=O)NNC(=O)c1ccc(C#N)cc1	852028982	ALNCIJJQUIUDTM-CYBMUJFWSA-N	300.362	1.891	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](CN1CCCC1)c1ccccc1	854410020	PIIJIYKBAIWJOB-CQSZACIVSA-N	305.378	1.595	50	20	DDGD	
O=C(NC[C@@H]1CCCCN1C1CC1)NNc1ncc(Cl)cn1	856888146	IJXOOJGVQZZBPI-LBPRGKRZSA-N	324.816	1.773	50	20	DDGD	
C[C@H](Oc1ccccn1)C(=O)NNC(=O)OCC(F)(F)F	856026444	YYUCPLLDCDTASM-ZETCQYMHSA-N	307.228	1.169	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ccc3nc(O)oc3c2)n1	753463652	GGXIIJPOJSYLRL-UHFFFAOYSA-N	320.696	1.316	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2C[C@H]2c2cncn2C)cc1	854214268	HXOFJTGSXAJITK-ZIAGYGMSSA-N	312.373	1.547	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)c2c(C)nc3ccccn23)O1	756906431	FOBJFNBQCWHEGA-RYUDHWBXSA-N	316.361	1.361	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccc2nnnn2c1)c1ccccc1	758224747	KDYBTPCWJJDWGW-CYBMUJFWSA-N	324.344	1.079	50	20	DDGD	
CCCn1nccc1C=NNC(=O)CNc1ccccc1OC	853263098	XXYSTVSSLSAPMC-UHFFFAOYSA-N	315.377	1.864	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)c1cc(C)cs1)[C@@H]1CCCO1	858371424	ZYQDGNGIUFBXQG-MNOVXSKESA-N	307.375	1.181	50	20	DDGD	
COC(=O)c1coc(C=NNC(=O)c2ccc(C)cc2O)c1	758113712	SXTVKDQZPSNJJU-UHFFFAOYSA-N	302.286	1.844	50	20	DDGD	
COC(=O)C[C@@H]1CN(C[C@@H](CBr)C2CC2)CCO1	859157986	VVRXHLIRSXSNKB-VXGBXAGGSA-N	320.227	1.671	50	20	DDGD	
CC[C@H](C)n1nc(NC(=O)NNC(=O)Cc2cc[nH]n2)cc1C	757910822	QPDCWQYUIDFQCW-VIFPVBQESA-N	319.369	1.281	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NC[C@H](C)C1CC1	920054559	NQBKZDUHBMXNIR-NSHDSACASA-N	305.378	1.614	50	20	DDGD	
Cn1ncc2c1C[C@@H](C(=O)NNc1ccnc(Cl)c1)CC2	855465944	DMCBPEYNRIHCFL-VIFPVBQESA-N	305.769	1.717	50	20	DDGD	
O=C(NC[C@@H]1CCCNC1=O)NNc1ccc(Cl)cc1F	922861946	YAZQQCCROBAZCD-QMMMGPOBSA-N	314.748	1.631	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)CCc1ccoc1	855831885	LCMMZLIACMQMTB-UHFFFAOYSA-N	323.393	1.302	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NNc1cccc(C(=O)OC)c1C	855625311	CZZIBXCVKJJHDV-LUAWRHEFSA-N	303.318	1.669	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)C(=O)Nc2ccccn2)c1C	755769476	NXXOHMMZGGZCPY-UHFFFAOYSA-N	314.349	1.004	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2F)CN1C1CC1	753925770	FPNWDNROECKRDE-QWRGUYRKSA-N	320.368	1.395	50	20	DDGD	
O=C(NN=CC1CCOCC1)c1nnc(-c2ccccc2)o1	755664703	PALDPMBZQBGWSV-UHFFFAOYSA-N	300.318	1.879	50	20	DDGD	
CC(C)(C)CC(=O)NN=C1CS(=O)(=O)Cc2ccccc21	853303163	RKJPNGOHZOXNCJ-UHFFFAOYSA-N	308.403	1.872	50	20	DDGD	
CCOCCCN1CCC(=NNC(=O)c2cc[nH]n2)[C@@H](C)C1	853392485	MYUITCGCJZWKCD-LBPRGKRZSA-N	307.398	1.264	50	20	DDGD	
O=C(NCCCCCN1CCCCC1)NNC(=O)c1cn[nH]c1	858210033	FHTIPWJRDIGPDP-UHFFFAOYSA-N	322.413	1.010	50	20	DDGD	
C#CC[C@H](CCOC)NC(=O)NNC(=O)c1ccccc1C	858097269	GVVZMARPIAVABI-CYBMUJFWSA-N	303.362	1.367	50	20	DDGD	
Cc1cccc2c1CN([C@H](C)C(=O)NNC(=O)CC(C)C)CC2	759880554	GAMYIWRLLYEWNN-CQSZACIVSA-N	317.433	1.935	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1cccc(-n2cncn2)n1	854479927	XKKDDKKYWFZCPY-UHFFFAOYSA-N	300.149	1.538	50	20	DDGD	
COCC(COC)NC(=O)NC[C@@]1(C)C[C@@H]1Br	856861744	JGMOWPWAMOLDFJ-GXSJLCMTSA-N	309.204	1.121	50	20	DDGD	
O=C(NCc1nnc2n1CCC2)NNc1ccc(Cl)cn1	851931626	YSDKDKZPZFNTSS-UHFFFAOYSA-N	307.745	1.099	50	20	DDGD	
O=C(NC[C@@H]1CCCCN1C1CC1)NNc1ncncc1Cl	764839308	GQNCNIZTOGUVHV-NSHDSACASA-N	324.816	1.773	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)N2CC[C@@H](B(O)O)C2)no1	864234777	VTICAQJAMYSHHT-SNVBAGLBSA-N	316.122	1.039	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccccc1Cl)c1ccccc1F	764589156	PRFMAUFSAYOOTO-CYBMUJFWSA-N	322.723	1.974	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(N(C)C)cc1C(N)=O	769176914	BVEWLQWLLNQEML-MDZDMXLPSA-N	302.334	1.234	50	20	DDGD	
CN1CCC(=NNC(=O)c2ccc(Br)s2)C1=O	761767875	VXEPGTDNXHHASY-UHFFFAOYSA-N	316.180	1.459	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)NC)cnn1-c1cccc(C)c1	767685416	UPYRPFKICWBHJB-UHFFFAOYSA-N	315.377	1.707	50	20	DDGD	
CCCOc1cccc(NC(=O)C(=O)NNc2cnccn2)c1	766260763	WHCNBBVYRFYJJX-UHFFFAOYSA-N	315.333	1.347	50	20	DDGD	
Cc1c(NNC(=O)CN(C)[C@H]2CCSC2)cccc1[N+](=O)[O-]	765012630	ZIUZZXNQPOQXOK-NSHDSACASA-N	324.406	1.784	50	20	DDGD	
CC[C@](C)(O)C(=O)NNC(=O)CSc1ccccc1OC	935142186	PYYNNHBXDLDRGW-AWEZNQCLSA-N	312.391	1.096	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)C1=CCCC1	760284606	MNRUCRANLZYETO-UHFFFAOYSA-N	312.373	1.856	50	20	DDGD	
Nc1ncc(Cl)cc1S(=O)(=O)NCC(Cl)Cl	867470724	VPMDHZUMSMJHEQ-UHFFFAOYSA-N	304.586	1.399	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cn[nH]c1)[C@@H]1OCCc2sccc21	862470086	ZNUNASCCOILQOL-PELKAZGASA-N	320.374	1.182	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)Cn1ccnc1C1CC1	863385299	CBQAHSYCSHSCEU-UHFFFAOYSA-N	312.373	1.459	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=Cc1ccccc1OC1CCCC1	863187981	KUJISKFJDYNQBK-UHFFFAOYSA-N	324.402	1.503	50	20	DDGD	
CCc1nn(C)c(Cl)c1C(=O)NNC(=O)CC(F)(F)F	768334160	MRFXJFBWMNSUIS-UHFFFAOYSA-N	312.679	1.349	50	20	DDGD	
CC(C)(C(N)=O)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	767442472	SVNOAQHMTJUZSG-UHFFFAOYSA-N	323.418	1.290	50	20	DDGD	
CCN(C[C@@H]1CCCO1)C(=O)NNC(=O)c1cc(C)cs1	1118864147	LMFOEEMRQHYJBC-NSHDSACASA-N	311.407	1.912	50	20	DDGD	
CN1CCC(C=NNC(=O)Nc2ccc(C(=O)O)cc2)CC1	872353925	RBRCHTPOSGXZRN-UHFFFAOYSA-N	304.350	1.834	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](CC(=O)N(C)C)c1ccccc1	875146597	DMCZSXSMBSJEFZ-LBPRGKRZSA-N	322.365	1.118	50	20	DDGD	
O=C1COc2ncc(C(=O)NNc3cccnc3Cl)cc2N1	771389906	NSNJNPCYMNXDLC-UHFFFAOYSA-N	319.708	1.218	50	20	DDGD	
COc1ccc(NC(=O)NNc2nncc(N)c2Cl)cn1	1116293713	XAPUHKFHTNODGM-UHFFFAOYSA-N	309.717	1.264	50	20	DDGD	
COCCOCC(=O)NN=Cc1csc(Br)c1	872403892	XCOXLWAYRUJJOQ-UHFFFAOYSA-N	321.196	1.624	50	20	DDGD	
C[C@H](C(=O)NNc1ccnc(Br)c1)c1cnn(C)c1	771533938	WVKBOINZTWTLSE-QMMMGPOBSA-N	324.182	1.824	50	20	DDGD	
Cc1nc(C(C)C)ncc1C(=O)NNC(=O)Cc1cccnc1	878733403	UPSMROGQRJRBCU-UHFFFAOYSA-N	313.361	1.307	50	20	DDGD	
N#CSCCCNC(=O)c1ccc2c(O)nc(S)nc2c1	774298315	OYKOFHARUMGGNR-UHFFFAOYSA-N	320.399	1.958	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NNC(=O)CC)cc1C(C)C	872332326	KNDNSJZDVGWKME-UHFFFAOYSA-N	314.407	1.928	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@H]2CCCC23CCOCC3)cc[nH]1	875561020	KEFXEBSOWFEIOX-AWEZNQCLSA-N	304.394	1.787	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1ccccc1F)c1cccnc1	778218536	UTOKFTYCBCEGAX-UHFFFAOYSA-N	301.321	1.960	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H]1CCO[C@H]1c1ccc(O)nc1	882455276	DPGFKRLGPMXBQY-PWSUYJOCSA-N	320.798	1.166	50	20	DDGD	
Cc1ccccc1[C@@H](NCC(=O)NNC(=O)C1CC1)C(C)C	775407604	OVWGNPKAAAWJAS-INIZCTEOSA-N	303.406	1.839	50	20	DDGD	
O=C(Cc1ccc(F)c(Cl)c1)NNC(=O)C1CCOCC1	883072682	VUCRXYQGMQOMEE-UHFFFAOYSA-N	314.744	1.596	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cccc(N2CCCC2=O)c1	887139336	KTQFOTBLLWRMRQ-UHFFFAOYSA-N	313.357	1.378	50	20	DDGD	
C[C@@H]1CCN(S(=O)(=O)CCCCl)C[C@H]1n1ccnc1	881986580	NOQGLCDGJLEPFN-VXGBXAGGSA-N	305.831	1.725	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)[C@H]2Cc3ccccc32)c1	776527706	YIPGBNLKQNFQKH-HNNXBMFYSA-N	316.382	1.873	50	20	DDGD	
CC[C@H](F)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	1120622928	VOLABCBAIZSESJ-VIFPVBQESA-N	310.297	1.874	50	20	DDGD	
O=C(NNC(=O)c1ccoc1Br)c1ccccn1	770074393	UNPWCOWQUSZTOY-UHFFFAOYSA-N	310.107	1.512	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@H](C)c1ccccc1	771844374	BKAVFHSIPRERKU-NWDGAFQWSA-N	306.362	1.669	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCc2c(O)cccc21)C1CCOCC1	883068632	BTFTVJAWOZMAES-CQSZACIVSA-N	318.373	1.386	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)NOC1CCCC1	774808409	GXHYOPHDJHYXQE-UHFFFAOYSA-N	313.379	1.590	50	20	DDGD	
CCCOc1cccc(CCNC(=O)NNC(=O)COCC)c1	771554816	DMQLYPPEFGIAJZ-UHFFFAOYSA-N	323.393	1.385	50	20	DDGD	
COc1ccc(COCCNC(=O)NNC(=O)C(C)C)cc1	772051429	MJYJKWZSRUIGEY-UHFFFAOYSA-N	309.366	1.198	50	20	DDGD	
COc1ccccc1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	771885826	WEHGLHHQRBTQBN-LLVKDONJSA-N	322.361	1.434	50	20	DDGD	
Cc1cc(C)cc([C@H](O)CNS(=O)(=O)CCCCl)c1	882166720	UWXANAXVIARERA-CYBMUJFWSA-N	305.827	1.885	50	20	DDGD	
C[C@H](c1ccccc1)N1CCN(S(=O)(=O)CCl)CC1	882615572	VJHNRKXPPCIPPS-GFCCVEGCSA-N	302.827	1.891	50	20	DDGD	
C[C@H](C(=O)OC[C@@]1(C)C[C@@H]1Br)n1cnc(C#N)n1	1123140268	AWLCHYTWOALSMS-VHSKPIJISA-N	313.155	1.427	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc2c(NC)ncnc2c1	887150244	CLJVIZMAUOMUTF-UHFFFAOYSA-N	311.345	1.236	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)c1ccc(Cl)o1	788227698	GAOZAJUCCWTSID-UHFFFAOYSA-N	315.738	1.337	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NC[C@H]1C=CCC1	883832830	MFVRCEZBKCBLAV-ZDUSSCGKSA-N	317.389	1.924	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)c3cccn32)c1	788745587	IMUKNOMJRWUALY-CQSZACIVSA-N	322.324	1.339	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)c1ncccn1	787434025	PMSSTAIKGQPHDP-UHFFFAOYSA-N	305.725	1.274	50	20	DDGD	
COc1cccc(NNC(=O)Nc2cc(C)cnc2OC)n1	780584984	UCDMDMUSNVRRLY-UHFFFAOYSA-N	303.322	1.951	50	20	DDGD	
Cc1c(C(=O)NNC(=S)NC(C)(C)C)cnn1C(C)(C)C	899992196	QSCLLYNMOQLHBE-UHFFFAOYSA-N	311.455	1.854	50	20	DDGD	
COCC(=NNC(=O)Cn1nc(C)cc1C)C1CCOCC1	780196691	HNLXDNLAVUZWMD-UHFFFAOYSA-N	308.382	1.045	50	20	DDGD	
COC[C@H](C)NC(=O)NNC(=O)CSc1ccc(C)cc1	890158987	NNKCUSKEGSUUCG-NSHDSACASA-N	311.407	1.452	50	20	DDGD	
COc1cccc2c(C(=O)NNC(=S)NC(C)(C)C)n[nH]c12	899997178	KCXXGRRWVIGVEU-UHFFFAOYSA-N	321.406	1.479	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)COc2cc(C)cc(C)c2)no1	899939325	MBIBHOMZODPVQB-UHFFFAOYSA-N	317.345	1.694	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2	783473173	BXLMVYRFRRQRJP-AVGNSLFASA-N	318.373	1.658	50	20	DDGD	
CCc1[nH]nc(C(=O)NNc2cnccn2)c1Br	790029187	NTEDCVIOUDMTOR-UHFFFAOYSA-N	311.143	1.282	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])[C@H]1Cc2ccc(F)cc21	795176138	SWJCYDNBSUHYBM-NSHDSACASA-N	302.265	1.912	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCc2cccc(C#N)c2)n1	792824660	PLLGXODKSGSEPA-UHFFFAOYSA-N	309.329	1.406	50	20	DDGD	
COCCCNC(=O)NNC(=O)C[C@H](CC#N)c1ccccc1	793200578	ATDBUIJLNLSODS-AWEZNQCLSA-N	318.377	1.441	50	20	DDGD	
Cc1cccc(C(=O)NNS(=O)(=O)c2cc(F)ccc2C)n1	794599189	DLJCRLAVPHRDKL-UHFFFAOYSA-N	323.349	1.461	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2ncc(Cl)n2C)cc1OC	799466201	SJJFKOYBNMMXTG-UHFFFAOYSA-N	322.752	1.855	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc2c1OCC[C@@H]2OC	790579546	JZCXXUKRYHAIAL-LBPRGKRZSA-N	322.365	1.854	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cn2cc3ccccc3n2)n1	794090771	ZFDPNRUBGIXYHR-UHFFFAOYSA-N	309.329	1.201	50	20	DDGD	
CC(=NNC(=O)c1cccc(OC(F)F)c1)c1ccc(O)nn1	790162208	NREMXELTJCKWPX-UHFFFAOYSA-N	322.271	1.938	50	20	DDGD	
CC(C)Oc1ccc(C=NNC(=O)N2CCN(C)CC2)cc1	790178558	BQNQCDBKTPFEFP-UHFFFAOYSA-N	304.394	1.765	50	20	DDGD	
CC(C)C[C@H]1CCCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)C1	794509016	XGLIUPVAJFGKBL-VXGBXAGGSA-N	317.455	1.633	50	20	DDGD	
O=C(NNC(=O)c1cccc2[nH]ccc12)c1n[nH]c2c1CCCC2	1318946144	BRPFBLKRXHXYNT-UHFFFAOYSA-N	323.356	1.845	50	20	DDGD	
CS[C@@H](C)C(=O)NNC(=O)c1cncn1-c1ccccc1	1321816211	AHBOYZCTUWGSCA-JTQLQIEISA-N	304.375	1.385	50	20	DDGD	
COc1c(C(=O)NNC(=S)NC(C)C)cccc1[N+](=O)[O-]	1322403573	GPNNVNJKYJADRA-UHFFFAOYSA-N	312.351	1.121	50	20	DDGD	
C[C@@H](O)c1ncc(C(=O)NNC(=O)OCC(F)(F)F)s1	1329417349	RNSBTKUUTWFZDW-SCSAIBSYSA-N	313.257	1.130	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Nc2ccc(F)cn2)cc1	1320705121	LFMYFASYKXQNBF-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
COC[C@@H](CNC(=O)NNc1ccc(C(C)(C)C)nn1)OC	1325095464	HOIVEOKSWGPQRQ-SNVBAGLBSA-N	311.386	1.062	50	20	DDGD	
CCOc1cc(C(=O)NNc2oc(C(C)C)nc2C#N)[nH]n1	1328746380	OCTALGVZXSZENB-UHFFFAOYSA-N	304.310	1.548	50	20	DDGD	
CCOc1cccc(C=NNC(=O)CCO)c1OC(F)F	1252566824	DOXKMNRVPUAMGQ-UHFFFAOYSA-N	302.277	1.519	50	20	DDGD	
CCS(=O)(=O)c1cccc(NC(=O)NNC(=O)C2CC2)c1	1337987851	LVXGARXITBPNDO-UHFFFAOYSA-N	311.363	1.043	50	20	DDGD	
CS(=O)(=O)NC1CC(NC(=O)c2cccc(CCl)c2)C1	1335946720	VRHCSYNHBILAHD-UHFFFAOYSA-N	316.810	1.235	50	20	DDGD	
O=C(CCn1cnnn1)NNc1cccc(C(F)(F)F)c1	1333264985	CKYBDYHZNDHMLL-UHFFFAOYSA-N	300.244	1.225	50	20	DDGD	
CCCCN(C)C(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1331099540	OIWRUWQYVQJQGA-SKDRFNHKSA-N	305.216	1.535	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Nc1cc(F)cc(F)c1)n1ccnc1	1256689998	ADEZLKPFJHFOAF-QMMMGPOBSA-N	309.276	1.575	50	20	DDGD	
CC(C)(C=NNC(=O)CCN1CCCCCC1)S(C)(=O)=O	1335767480	CLPNYJGQEWJLHS-UHFFFAOYSA-N	317.455	1.178	50	20	DDGD	
Nc1cnnc(NNC(=O)NC[C@H]2CCCC2(F)F)c1Cl	1330774127	IRMYBLPCDPDQSW-ZCFIWIBFSA-N	320.731	1.774	50	20	DDGD	
COC(=O)C(=O)NN=C1CCc2ccc(Br)cc21	1339968060	UHUXLTGNBHGLQY-UHFFFAOYSA-N	311.135	1.389	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(Cl)nc(Cl)c1)[C@H]1CCC(=O)N1	1335297363	UBZRQWUANRKRTA-HTRCEHHLSA-N	317.176	1.746	50	20	DDGD	
Cc1ccccc1C(=O)NN=Cc1c(C)nn(CCO)c1C	1337811964	QPCVQFKDYLSLQZ-UHFFFAOYSA-N	300.362	1.565	50	20	DDGD	
C[C@H]1C[C@@H](c2cccnc2)N(C(=O)NNC(=O)c2cn[nH]c2)C1	1348123225	TXBDDQUSPJUXKP-GWCFXTLKSA-N	314.349	1.242	50	20	DDGD	
Cn1nc(C2CC2)cc1CNC(=O)NNc1cccc(F)n1	1344576045	QVQLROJPJZCXHF-UHFFFAOYSA-N	304.329	1.658	50	20	DDGD	
CCN(CC)CC[C@@H](C)NC(=O)NNC(=O)CC(F)(F)F	1348612990	ZHAIYLFXRGCNQZ-SECBINFHSA-N	312.336	1.390	50	20	DDGD	
COc1cc(C)c(C=NNC(=O)C2CCOCC2)cc1OC	1353090238	ZLMAFIZWXABXIT-UHFFFAOYSA-N	306.362	1.889	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)[C@@H]1C	1351340023	AIHDMCIZPFBVTN-BSTOTGJRSA-N	320.393	1.109	50	20	DDGD	
Cc1nc([C@@H](C)NC(=O)NNc2ccc(CC(=O)O)cc2)no1	1600686679	BTVGSNQWPXFSQO-MRVPVSSYSA-N	319.321	1.392	50	20	DDGD	
O=C(O)Cn1cccc1C=NNC(=O)CCOc1ccccc1	1602166261	IBOOMDJZEXCPNR-UHFFFAOYSA-N	315.329	1.492	50	20	DDGD	
C[C@@H]1COCC[C@@H]1NC(=O)NNc1cccc(C(=O)O)c1F	1609878519	PCXLXSIJILSZNS-SCZZXKLOSA-N	311.313	1.575	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C[C@H](C)CC(=O)O)cc1	1607812160	SPRSADCGGJQXGR-NSHDSACASA-N	308.334	1.022	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNc2ccc(C(=O)O)cc2F)n1	1607892309	VNVBXHPREIDZJR-VIFPVBQESA-N	320.324	1.808	50	20	DDGD	
CC1(C)CC(=NNC(=O)NCC(=O)O)c2cc(F)ccc2O1	1604512348	JDLNHGMWORMXTL-UHFFFAOYSA-N	309.297	1.475	50	20	DDGD	
O=C(Cc1noc2ccccc12)NNc1ncccc1C(=O)O	1605725091	AAOZHPYYXFXUGZ-UHFFFAOYSA-N	312.285	1.607	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2ccc(/C=C/C(=O)O)o2)c1	1600648589	UXSBOHGPVOHTKB-HWKANZROSA-N	320.326	1.822	50	20	DDGD	
Cc1cc(C#N)cnc1C(=O)NNc1ccc(F)c(C(=O)O)c1	1600076270	QSUSFBSJTMZJNL-UHFFFAOYSA-N	314.276	1.856	50	20	DDGD	
Cc1ccoc1C=NNC(=O)[C@H]1CCCO[C@@H]1c1ccnn1C	1549319140	INFBDRWKULESAY-WFASDCNBSA-N	316.361	1.940	50	20	DDGD	
O=C(O)c1occc1C=NNC(=O)[C@@H]1COc2ccccc2O1	1610873432	XBOBPUTYEYMMPH-LBPRGKRZSA-N	316.269	1.268	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@@H]1C=NNC(=O)[C@@H]1CCO[C@@H]1C	1552762418	FUUMZWZICQXOQP-AAVRWANBSA-N	320.393	1.508	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CC[C@H](CN)CC2)c1	1578877743	JRCTWWFQBGYLKT-AULYBMBSSA-N	320.393	1.617	50	20	DDGD	
C[C@@H]1CNC[C@H]1CC(=O)NNC(=O)c1cc(Cl)ccc1O	1579450962	SCDJRCRAJJFPDK-RKDXNWHRSA-N	311.769	1.052	50	20	DDGD	
CC[C@H](C)C[C@H](N)C(=O)NNC(=O)Cc1ccc(Cl)cc1	1576982898	MSIGMIJQTOCREF-GWCFXTLKSA-N	311.813	1.793	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1588503931	IBCHYTAHYMCLAQ-ZDUSSCGKSA-N	322.756	1.290	50	20	DDGD	
O=C(C[C@]1(O)CCNC1)NNc1cccc(Br)c1	1580501180	RKVQLFUAVNJZTJ-GFCCVEGCSA-N	314.183	1.007	50	20	DDGD	
COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)C(C)(F)F)C1	1842844392	MAEXXSHRQHTPIE-VIFPVBQESA-N	324.755	1.099	50	20	DDGD	
CC(C)(C)[C@@H](C(=O)O)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	1588633242	GCRKBUVEPQLZDD-SNVBAGLBSA-N	323.305	1.103	50	20	DDGD	
NCc1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2F)ccn1	1580335262	JZHFFOBAEFXNSX-UHFFFAOYSA-N	305.269	1.345	50	20	DDGD	
C[C@](CNC(=O)NNc1ccccn1)(C(=O)O)c1ccccc1	1589056229	JVGGSOHAMJNFKO-MRXNPFEDSA-N	314.345	1.750	50	20	DDGD	
CC(C)SCCNC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1589761376	MFVUWFAKRXDUPL-UHFFFAOYSA-N	322.398	1.029	50	20	DDGD	
CCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl	1847563350	NQAMUGKCBLVXBN-SDDRHHMPSA-N	316.829	1.224	50	20	DDGD	
C[C@@H](CN(Cc1ccccc1)S(=O)(=O)CCl)C(=O)O	1592610087	STOJLPAYNXBCQO-JTQLQIEISA-N	305.783	1.735	50	20	DDGD	
O=C(O)Cc1cccc(NC(=O)NNc2ncncc2F)c1	1595133038	LRPXSSPPENZLCB-UHFFFAOYSA-N	305.269	1.391	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)CC(C)(C)CCl)C[C@]1(C)C(=O)O	1599930383	KMJBLVPUUVMGMZ-CABZTGNLSA-N	311.831	1.624	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1592820780	HNHHVQSRKRHFSZ-UHFFFAOYSA-N	314.349	1.208	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cc(C)c(C(=O)O)o2)c1	1599000029	XYVURMKGPPIQOQ-UHFFFAOYSA-N	318.285	1.830	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1cccn2c(C(=O)O)cnc12	1776078055	ZVDHDMQKCSXDFZ-UHFFFAOYSA-N	324.300	1.005	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2cccc(O)c2F)cc1	1776100917	HHWPPUGAIWJTEC-UHFFFAOYSA-N	302.261	1.993	50	20	DDGD	
O=C(O)c1cc(F)c(C=NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)c(F)c1	1776090976	MAYQFECJQKVYGR-JRKPZEMJSA-N	324.283	1.681	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=Cc1sc(Cl)cc1C(=O)O	1776058033	ABJXWNICCNPVAZ-UHFFFAOYSA-O	324.769	1.538	50	20	DDGD	
CCc1ccc(C(=O)NNS(=O)(=O)c2cccs2)cc1	16097691	NCZQZECYITTWDK-UHFFFAOYSA-N	310.400	1.934	50	20	DDGD	
O=C(CNCC1CC1)NNc1nc(-c2ccc(Cl)cc2)no1	158057795	PVZJHVNSUQHTPE-UHFFFAOYSA-N	321.768	1.833	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1cc(F)cc(Cl)c1O	152715381	LXFNZJSWHKMPTK-UHFFFAOYSA-N	322.687	1.608	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cncc(-c3ccccc3)c2)[nH]n1	153250425	JUDPNAGBOXPGBR-UHFFFAOYSA-N	321.340	1.855	50	20	DDGD	
CSSCCNC[C@@](C)(O)CNC(=O)OC(C)(C)C	496407639	VLXFCUQGDFLZKA-GFCCVEGCSA-N	310.485	1.863	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)c1ccc(C#N)cc1)c1ccccc1	106758190	NUNSHVGGYSUKEQ-GOSISDBHSA-N	323.352	1.881	50	20	DDGD	
O=C(CCCn1cncn1)NNC(=O)c1cccc2ncccc12	106921733	PEAOMFTZZUJVMV-UHFFFAOYSA-N	324.344	1.068	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNC(=O)c1ccc(C)cc1O	104856023	VXPHXEMKKQWVAF-CYBMUJFWSA-N	305.378	1.336	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cccc(C)n2)cc1	55707339	OWHADDSVSUZMCM-UHFFFAOYSA-N	313.357	1.792	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cccn1Cc1cccs1	58248970	BSEWXQKQEGVILF-ZDUSSCGKSA-N	319.386	1.538	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Nn2cnc3ccccc32)c1	103506455	BSHPZCOWPMOBBQ-UHFFFAOYSA-N	320.312	1.506	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(C)c1ccc(F)c(F)c1	109833417	ORTDXDUNZZVUOI-JTQLQIEISA-N	313.348	1.983	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2ccc([S@@](C)=O)cc2)n1	179880437	INELXNKROMJUQQ-JOCHJYFZSA-N	319.390	1.979	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc(-c2cnco2)cc1	65191777	STICTWMNOCCUFU-UHFFFAOYSA-N	300.318	1.696	50	20	DDGD	
O=C(CN1CCC[C@H]1c1cccc(F)c1)NNC(=O)C1CC1	112977367	NZSUTLFSRYBUCO-AWEZNQCLSA-N	305.353	1.520	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1csc(-c2ccccc2F)n1	113425825	ZMGNHZJTNQEMJJ-UHFFFAOYSA-N	322.365	1.272	50	20	DDGD	
CN(CC(=O)NNC(=O)C1CC1)Cc1ccc(Cl)s1	112975877	SPSRMASBFYOJMC-UHFFFAOYSA-N	301.799	1.391	50	20	DDGD	
O=C(NC[C@@H]1CCCO1)NNC(=O)c1ccc(Cl)cc1F	65147002	NYPWCKYTJMUHDM-VIFPVBQESA-N	315.732	1.602	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1c(F)cc(F)cc1F	171265499	GPGDFAUDJYYQCW-UHFFFAOYSA-N	324.324	1.850	50	20	DDGD	
O=C(CC1CCOCC1)NNc1nc(-c2ccncc2)no1	117248675	WKVQHFXGZWHRNS-UHFFFAOYSA-N	303.322	1.391	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)c1	68195061	GEZDCVSBWYGLGI-KBPBESRZSA-N	319.405	1.255	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cc(Cl)sc1Cl	32259665	SXCAWTOKJOEYEY-LURJTMIESA-N	309.174	1.995	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)c1coc(C)c1	187081977	SAQZAJGNQCBYPD-UHFFFAOYSA-N	318.329	1.827	50	20	DDGD	
CCc1n[nH]c(=O)c(C(=O)NNC(=O)CC2CCCC2)c1CC	128429033	WYTFPADTSGKECD-UHFFFAOYSA-N	320.393	1.236	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)C(C)(C)C	186069079	FQLSOLZQUDCOLT-UHFFFAOYSA-N	300.380	1.588	50	20	DDGD	
CCN(CCNC(=O)NNc1cccnn1)c1cccc(C)c1	77336756	LJGKZBWLAUSSFQ-UHFFFAOYSA-N	314.393	1.938	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cc3ccccc3cc2O)[nH]1	125547778	GZGADNZUYIOEIF-UHFFFAOYSA-N	320.308	1.820	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C2(C#N)CCCC2)cc1C	70809150	UQEMSIFEYJVQGE-UHFFFAOYSA-N	315.373	1.914	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCO[C@H](c2ccccc2C)C1	126149094	HIPPLELFGVHXFA-HIFRSBDPSA-N	319.405	1.314	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)c1cc(C)on1	70718090	IEOFEJMKVJBTFU-UHFFFAOYSA-N	319.317	1.222	50	20	DDGD	
Cc1nn(C)c(=O)c(C(=O)NNc2ccc(Cl)c(F)c2)c1C	124445695	SXYZUECYEIEZIW-UHFFFAOYSA-N	324.743	1.947	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1cc(F)cc(F)c1	73140230	CRVNEDQSLSPFHZ-UHFFFAOYSA-N	305.284	1.838	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)NCc2ccco2)c1	78263348	OCUIERNPHOHFDJ-UHFFFAOYSA-N	317.345	1.806	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1cnn(CC2CC2)c1	186297527	UZRWAZXJXWYFOL-UHFFFAOYSA-N	300.322	1.155	50	20	DDGD	
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)C1CC1	72967677	GPIQQDUJWQZXQJ-QMMMGPOBSA-N	309.753	1.016	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)[C@H]1CCn2ccnc2C1	183680757	IJTACJRHPCXRHE-NSHDSACASA-N	308.345	1.532	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Cc2ccc(F)c(F)c2)c1	87241474	QOLWOOTWCNAMPJ-UHFFFAOYSA-N	315.279	1.840	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc(F)cc1[N+](=O)[O-]	132178271	KFWWVOLHRIQXRA-UHFFFAOYSA-N	314.342	1.641	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1ccc2[nH]nnc2c1	193538864	PWAGXWRWSZBIJT-UHFFFAOYSA-N	305.301	1.658	50	20	DDGD	
C#CCNC(=O)NNC(=O)c1ccc(OCCCC)c(OC)c1	43481045	SOUAFRVBYNTCBE-UHFFFAOYSA-N	319.361	1.451	50	20	DDGD	
O=C(NN[C@H]1CCS(=O)(=O)C1)Nc1ccccc1Cl	48908718	ILMNILCQVRCPFR-QMMMGPOBSA-N	303.771	1.153	50	20	DDGD	
COc1ccc(CNC(=O)NNc2cncc(Cl)n2)cc1	192759490	NUXIRCBHESCBBW-UHFFFAOYSA-N	307.741	1.965	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)Cc2ccc(F)c(F)c2)n1	133910727	VMAUFKCHAYUMGV-UHFFFAOYSA-N	313.695	1.676	50	20	DDGD	
O=C(NCC1CCC1)NNC(=O)c1cc(Br)c[nH]1	47053653	MCADYJJGCHTAQV-UHFFFAOYSA-N	315.171	1.521	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C(=O)Nc1ccc2c(c1)CCC2	190295302	VEHLPIIPUBUSBV-UHFFFAOYSA-N	314.320	1.791	50	20	DDGD	
C[C@@H](Cc1ccccc1F)C(=O)NNC(=O)Cc1ccncc1	81027297	OLGWELXDZFKNNK-LBPRGKRZSA-N	315.348	1.789	50	20	DDGD	
C[C@](CC(=O)O)(C(=O)NNC(=O)c1ccc[nH]1)C1CCCCC1	237613274	RNAWODBNPJWSHE-MRXNPFEDSA-N	321.377	1.837	50	20	DDGD	
N#CCc1cccc(C(=O)NNC(=O)CCOc2ccccc2)c1	142578855	AYYHUEAFZZUBQC-UHFFFAOYSA-N	323.352	1.983	50	20	DDGD	
CCc1nc(CC(=O)NNC(=S)NCCSC)cs1	94121651	PCESHOVMKGOPFM-UHFFFAOYSA-N	318.493	1.106	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1C[C@H]1C1CC1	246582165	UHFGEZFZYDIYAL-HERUPUMHSA-N	306.337	1.787	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NC[C@H](C)c1ccccc1	267247024	ZABBUWKMHNCEER-QWHCGFSZSA-N	323.393	1.172	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)C(C)(C)c1ccccc1	265748273	GQKUSRUENMKFMF-UHFFFAOYSA-N	301.346	1.976	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1ncnc2ccsc12	269005264	RMFOKRQUBHSPEK-UHFFFAOYSA-N	309.351	1.271	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1ncoc1CC	265772231	CRKADBCPJZEKRS-UHFFFAOYSA-N	317.345	1.639	50	20	DDGD	
COc1cccc(-c2cc(C(=O)NNC(=O)CC(C)C)[nH]n2)c1	268712648	FIMPIQPCCMINKN-UHFFFAOYSA-N	316.361	1.892	50	20	DDGD	
O=C(CCC(F)(F)F)NNc1nc(-c2cccnc2)no1	266403603	ZDZMQIOTRVLVFE-UHFFFAOYSA-N	301.228	1.917	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNC(=O)c1ccc(C)cc1O	268023691	UTXCWXYDQHNMJJ-UHFFFAOYSA-N	321.377	1.110	50	20	DDGD	
C[C@]1(C(=O)NNc2ccc(C(F)(F)F)nn2)CCCOC1	272700403	FLEFUTBKVFXNBE-NSHDSACASA-N	304.272	1.755	50	20	DDGD	
COCCCn1ccc(NC(=O)NNc2ncccc2C)n1	276717328	DSQDWPGMLOQDRA-UHFFFAOYSA-N	304.354	1.772	50	20	DDGD	
CC1(C)OCC(C)(C(=O)NNc2cnc3ccccc3n2)CO1	278183790	HBVAHCWZKHDNNC-UHFFFAOYSA-N	316.361	1.862	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H](C(=O)NNC(=O)Cc2cccnc2)C1(C)C	275770691	GXBWUUJABRYNKL-AAEUAGOBSA-N	317.389	1.413	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)C(=O)OC(C)(C)C)n1	274035297	BYGZGDSZSKSMDF-UHFFFAOYSA-N	309.370	1.108	50	20	DDGD	
COc1ccc(NC(=O)CN2CC=C(C#N)CC2)cc1OC	272684129	SKBFSGHIDDHRCT-UHFFFAOYSA-N	301.346	1.798	50	20	DDGD	
C=C(CBr)CN1CC[C@H](NC(=O)NC2CC2)C1	279841554	ZXPOOUFBGCKTSH-NSHDSACASA-N	302.216	1.473	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2nccn2C1)NC1CCCCC1	364958948	YHRDFZDTGJCEPI-NSHDSACASA-N	305.382	1.109	50	20	DDGD	
CCOC[C@@H]1CCCN(C(=O)NNC(=O)c2cccc(C)n2)C1	279610036	FONBBVTUNODPPC-CYBMUJFWSA-N	320.393	1.493	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C2=C(C)OCCC2)cc1	270435481	NBOHSDWZLWXXEQ-UHFFFAOYSA-N	318.373	1.860	50	20	DDGD	
C=CCC1(C(=O)NNC(=O)COc2ccccc2O)CCC1	277346296	WYVDLESFSQYRMF-UHFFFAOYSA-N	304.346	1.665	50	20	DDGD	
COC(=O)c1sccc1NC(=O)CN1CC=C(C#N)CC1	272706296	XDDBAZBIDUYIMB-UHFFFAOYSA-N	305.359	1.629	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H]1CCc2c[nH]nc2C1	373333384	PZHHIMCGBPQNPN-GUNGLEHYSA-N	308.341	1.696	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccnc(O[C@@H]2CCOC2)c1	273384217	NHDDNBIMNWOSMH-LLVKDONJSA-N	307.350	1.056	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(C(=O)OCC)cc1	274234931	FZQKFBRETOABJQ-UHFFFAOYSA-N	308.338	1.561	50	20	DDGD	
CC(C)(O)CC(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	281717142	WODGETZYOHCQJB-UHFFFAOYSA-N	322.333	1.287	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)cn1	372645429	SMDCSOZWNADECM-CHWSQXEVSA-N	305.382	1.333	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](C)C(F)(F)F)c(O)c1	288902273	SHTCGGRLSROUBV-SSDOTTSWSA-N	305.256	1.595	50	20	DDGD	
Cc1ccc2c(c1)CC[C@H](C(=O)NNC(=O)c1cc(C)n[nH]1)O2	281400968	ZMDSPUYDKKFQAO-CQSZACIVSA-N	314.345	1.181	50	20	DDGD	
C[C@@H]1CCCN([C@H](C)CNC(=O)NNc2cccc(F)n2)C1	286690391	LTFKXVXIOCPMGY-VXGBXAGGSA-N	309.389	1.967	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C[C@@H]2CC[C@H](C)C2)cc1	282655026	HOUMUZBUWQFJSX-QWHCGFSZSA-N	317.389	1.907	50	20	DDGD	
C=CC[C@@H](CC)NC(=O)NNC(=O)Cc1cn2ccccc2n1	281381338	OKMRRRTYZYJRBY-GFCCVEGCSA-N	315.377	1.562	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cc2n(n1)CCC2	294688595	XETMMBSXBZRNLT-UHFFFAOYSA-N	303.274	1.965	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@H]2CCCCO2)c1	295360560	JFODBHRBUDMSMI-GXTWGEPZSA-N	306.362	1.479	50	20	DDGD	
CC[C@H](OC)C(=O)NNC(=O)c1ccc(CN(CC)CC)o1	299353015	CXGAHJQDEPIPRD-LBPRGKRZSA-N	311.382	1.307	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cn(C)nc2C2CC2)cc1	290602177	CBWUPGYJOCAAFZ-UHFFFAOYSA-N	312.373	1.935	50	20	DDGD	
C[C@@H]1Sc2ccc(C(=O)NNC(=O)N(C)C)cc2NC1=O	299357432	ICUJJUZSJRMKDN-ZETCQYMHSA-N	308.363	1.035	50	20	DDGD	
CC(=O)NC1(C(=O)NNC(=O)c2ccccc2)CCCCC1	298947107	KQYOBBZUGFTCKN-UHFFFAOYSA-N	303.362	1.287	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NNc1ncccc1F	804211158	GXKLIENGDQZHTD-UHFFFAOYSA-N	306.253	1.651	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1	294056211	GATOFTQBWWANGA-ZDUSSCGKSA-N	305.309	1.266	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)Cc2c(C)noc2C)cc1	802057073	LJNQLFRVNOUXBB-UHFFFAOYSA-N	318.333	1.695	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(S[C@H]2CCOC2=O)cc1	296928086	AWXSNJXRGXLGSU-ZDUSSCGKSA-N	324.402	1.317	50	20	DDGD	
CN(C)CCCCC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802125014	ZEWMUKRSMLDWFO-UHFFFAOYSA-N	321.425	1.637	50	20	DDGD	
O=C(NNc1ncccc1F)[C@@H]1CCCN1C(=O)C(F)(F)F	804215746	DLNDSVRBCBRYDW-QMMMGPOBSA-N	320.246	1.217	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@@H]1CC1(F)F	295418994	CGYBATDOBXHBKR-XCBNKYQSSA-N	318.707	1.910	50	20	DDGD	
CC(C)(O)CCNC(=O)NNc1cc(C(F)(F)F)ccn1	296755316	HVFYHBRCRQTZEC-UHFFFAOYSA-N	306.288	1.888	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCc2ccncn2)cc(C#N)n1C	808148921	AIXIKCNHMWRIDW-ACAGNQJTSA-N	306.329	1.219	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2nccnc2C2CCC2)s1	805460380	MWYPTGUHFMNSES-UHFFFAOYSA-N	317.374	1.661	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(Cl)cc2c1OCC(=O)N2	806756867	PIQGTTCAAAEDAN-UHFFFAOYSA-N	312.713	1.234	50	20	DDGD	
Cc1ncccc1C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802105734	CZALZIIKIIUKHU-UHFFFAOYSA-N	314.301	1.585	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)c1cnc2[nH]c(O)nc2c1	809666707	JHJWUIOBXSJAEH-UHFFFAOYSA-N	305.244	1.699	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@H]1COCCN1C1CCCC1	816629324	HXSUIQJTXLGVOH-LLVKDONJSA-N	309.237	1.892	50	20	DDGD	
CC[C@H](C)Oc1cc(C(=O)NNC(=O)c2ccnnc2)ccn1	817693655	TZUJXIDHFKAKHR-JTQLQIEISA-N	315.333	1.124	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1nnc2ccccc2n1	811462694	WDCCFAMBWRPCJG-UHFFFAOYSA-N	309.333	1.695	50	20	DDGD	
CC(=NNC(=O)c1sc(N)nc1C)c1cc(C(=O)O)cs1	814795492	XROUAHMFRACCEG-UHFFFAOYSA-N	324.387	1.947	50	20	DDGD	
CO[C@@](C)(C(=O)NNc1ccccc1S(C)(=O)=O)C1CC1	812507054	JFZUADPCQNXCGJ-CQSZACIVSA-N	312.391	1.348	50	20	DDGD	
Cn1c(NNC(=O)[C@]2(C)CC2(F)F)nc2ccccc2c1=O	817534465	XUQLCAJVDZXLHC-ZDUSSCGKSA-N	308.288	1.422	50	20	DDGD	
COc1cc(C(=O)NNc2cnnn2C)ccc1OCC(C)C	816770407	WLNNBOVZPNSTJQ-UHFFFAOYSA-N	319.365	1.615	50	20	DDGD	
COc1cc(C=NNC(=O)CC2CC2)c([N+](=O)[O-])cc1OC	814987287	VABOBZVRVQTYPI-UHFFFAOYSA-N	307.306	1.862	50	20	DDGD	
O=S(=O)(CCCCCl)N1C[C@@]2(CCCO2)[C@H]1C1CC1	815104534	MYDXPTMHLUCUEO-OLZOCXBDSA-N	307.843	1.979	50	20	DDGD	
Cc1c(CC(=O)NNc2ncnc3ccsc23)cnn1C	815827524	DDVYOZSSEUIIBV-UHFFFAOYSA-N	302.363	1.419	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C2(c3ccccc3)CC(=O)C2)n1	810006068	GWIVALJJBDQXDY-UHFFFAOYSA-N	310.357	1.837	50	20	DDGD	
CN1CC[C@H](C(=O)NNC(=O)Cc2cccc3ccccc23)C1	729662621	XVGOLFBOIUJNFN-HNNXBMFYSA-N	311.385	1.481	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCc1ccccc1F	826677388	MLVVKGVLMNNVAB-YPMHNXCESA-N	323.368	1.514	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1ccncc1	824385615	XSLWGYQEWZJJCX-NSHDSACASA-N	323.360	1.899	50	20	DDGD	
C[C@@H](Cc1ccc(F)cc1)C(=O)NNC(=O)Cc1cccnc1	728851505	GUCCUTQHOLXNBA-LBPRGKRZSA-N	315.348	1.789	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@@H](C(=O)OC(C)(C)C)C1CCCC1	824632457	KWQPXDKBWYZFTK-NSHDSACASA-N	313.398	1.437	50	20	DDGD	
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NN(C)C(=O)OC(C)(C)C)C1	496254742	LJIMVDOMYMSSAR-GHMZBOCLSA-N	321.443	1.581	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1	823939153	GNLCOYIJIACCSN-RDDDGLTNSA-N	307.177	1.371	50	20	DDGD	
COC(=O)NNC(=O)Cc1c(C(C)=O)oc2cc(C)ccc12	496308935	MBSWKIFPHQRNLD-UHFFFAOYSA-N	304.302	1.874	50	20	DDGD	
C#C[C@H](CC)NC(=O)NNC(=O)CSc1ccccc1O	491664346	OLECTBZMBWFGNO-SNVBAGLBSA-N	307.375	1.227	50	20	DDGD	
O=C(NNC(=O)c1sccc1OC(F)F)c1ccccn1	729295947	JPYIYBQFRHWUCB-UHFFFAOYSA-N	313.285	1.819	50	20	DDGD	
Cn1c(S)nnc1CCNC(=O)NNc1ccc(F)cc1	820239263	BPGISOKFDQTZIN-UHFFFAOYSA-N	310.358	1.112	50	20	DDGD	
CN(CCC(C)(C)C)C(=O)NNC(=O)CNC(=O)c1ccco1	825848040	UYEXENIUFYJWPG-UHFFFAOYSA-N	324.381	1.118	50	20	DDGD	
O=C(NN[C@@H](C(=O)NC1CC1)c1ccc(F)cc1)C1CCCC1	727839149	WUULTBGEZAMBBX-OAHLLOKOSA-N	319.380	1.956	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)C1CN(C(=O)OC(C)(C)C)C1	492149178	FWRDBYAPJPBUAG-UHFFFAOYSA-N	321.381	1.393	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H]1CCCC(F)(F)[C@@H]1O	491108710	YGXGFYKTFRUTSL-OQXBOSRRSA-N	322.311	1.964	50	20	DDGD	
C#C[C@H](C)NC(=O)NNC(=O)[C@@H](C)Oc1ccc(OCC)cc1	820441860	YMOYWPWPODXZDB-NWDGAFQWSA-N	319.361	1.205	50	20	DDGD	
O=C(O)c1cc(C=NNC(=O)C2CCOCC2)sc1Cl	901276015	HGXKWZIRJVBAKE-UHFFFAOYSA-N	316.766	1.976	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCc2c(F)cccc2C1	827280922	FIXTYENFAGNSDB-PWSUYJOCSA-N	321.352	1.350	50	20	DDGD	
CC[C@H](c1cccc(OC)c1)N(C)CC(=O)NNC(=O)C(C)C	829910921	OGYXWMUOWOBURT-OAHLLOKOSA-N	321.421	1.882	50	20	DDGD	
O=C(c1cccc(OC2CCCC2)c1)N1CC[C@H](B(O)O)C1	585065216	DSKSJKZAYDMSKM-ZDUSSCGKSA-N	303.167	1.697	50	20	DDGD	
CC1(C(=O)NNC(=O)CCc2ccccc2O)CCOCC1	730032525	AILYACJXRJBFEK-UHFFFAOYSA-N	306.362	1.289	50	20	DDGD	
CCOC(=O)[C@H](Cc1ccccc1)N(C)S(=O)(=O)CCl	830422391	AXASFTUUNQAMLJ-LBPRGKRZSA-N	319.810	1.619	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNC(=O)Cc1cn2ccccc2n1	491566427	GFFQDMIYMMCRLR-GFCCVEGCSA-N	313.361	1.009	50	20	DDGD	
CCCC[C@H](C)N(C)CC(=O)NNC(=O)c1ccc(C#N)cc1	839605786	LWQUCOHBKYIGIU-ZDUSSCGKSA-N	316.405	1.830	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CN(C)C(=O)C1CC1	733146182	ZRRWMBFWSATUBA-UHFFFAOYSA-N	308.290	1.377	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)[C@@H]1CCCc2nn[nH]c21	830806858	WYDYFNNVPQPGSR-SNVBAGLBSA-N	323.303	1.969	50	20	DDGD	
Cc1cc(C(=O)O)cc(S(=O)(=O)N2CC=C(C#N)CC2)c1C	906926293	VCKHTWLREYCDDK-UHFFFAOYSA-N	320.370	1.846	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCCn2ccnc2)c1F	837057336	IOPBXYUBWLAROF-UHFFFAOYSA-N	320.324	1.732	50	20	DDGD	
C[C@H]1CCc2ccccc2N1CCC(=O)N1CC[C@H](B(O)O)C1	585068675	DGODEWFFDZGEDP-ZFWWWQNUSA-N	316.210	1.293	50	20	DDGD	
CCC[C@H](C(=O)NNc1c(C)cccc1F)S(N)(=O)=O	832358027	VONRSHARXUYGHD-SNVBAGLBSA-N	303.359	1.034	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)C(=O)NNc1cnc2ccccc2n1	837532289	LXVYXMSDEJEHPP-LLVKDONJSA-N	310.361	1.685	50	20	DDGD	
O=C(NCCCC1CC1)NNc1cccc(-c2nn[nH]n2)c1	738056893	WSKWDNCQQIKVBV-UHFFFAOYSA-N	301.354	1.683	50	20	DDGD	
CC(C)CCC(=O)NCC(=O)NNc1ccccc1C(=O)O	833484606	XNIJOSZKMBJGBC-UHFFFAOYSA-N	307.350	1.380	50	20	DDGD	
CCO[C@H](CC)C(=O)NNC(=O)c1ccc(Cl)cc1O	839556511	YZQZRQNLGMPDRH-LLVKDONJSA-N	300.742	1.622	50	20	DDGD	
CC(C)C(=NNC(=O)[C@@H](C)NS(C)(=O)=O)C1CCCCC1	733901444	OOWCTECXUVCBDX-LLVKDONJSA-N	317.455	1.633	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(C#N)c2)C1	838748262	DQQFBQMJAHPCDT-BETUJISGSA-N	302.334	1.070	50	20	DDGD	
C[C@H](NCc1cccc(B(O)O)c1)[C@@H](O)c1ccc(Cl)cc1	585025058	KSNSUYLODKSXRW-MEDUHNTESA-N	319.597	1.232	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cnn1CC(C)C	831593264	JUGMEPDZPIVOTA-NWDGAFQWSA-N	323.397	1.425	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)N=c2cc[nH]cc2)CCCS1	836360095	WQSGOXIDSPKEEY-ZDUSSCGKSA-N	309.395	1.125	50	20	DDGD	
C[C@H]1CCCC[C@@H]1CCNC(=O)NNC(=O)C(=O)N1CCCC1	734071506	LZCSUPANEKMPOT-QWHCGFSZSA-N	324.425	1.156	50	20	DDGD	
CCC[C@@]1(C)CCCN(C(=O)c2cc(B(O)O)ccc2F)C1	584955504	UDRJTDLBMFPJJU-INIZCTEOSA-N	307.174	1.548	50	20	DDGD	
CC(=NNC(=O)c1ccccn1)c1ccc(S(C)(=O)=O)cc1	916540187	PBUKKZAZUIDOSK-UHFFFAOYSA-N	317.370	1.639	50	20	DDGD	
Cc1ccc(-c2nc(C(=O)NN(C)C[C@@H](C)O)cs2)n1C	910156255	RUVWMDNWRUEZDJ-SNVBAGLBSA-N	308.407	1.414	50	20	DDGD	
CN(C)CCCNC(=S)NNC(=O)C(C)(C)c1ccccc1	731160690	ACJIJKHBEAYKNE-UHFFFAOYSA-N	322.478	1.411	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CN(C)C2CCC2)c1	913823735	PRWJKRDOYAPTEY-UHFFFAOYSA-N	316.430	1.470	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccc(C(F)(F)F)[nH]1	831754451	OMPJRWBXVYOIFE-UHFFFAOYSA-N	318.177	1.540	50	20	DDGD	
CCc1c(C(=O)NN)cnn1-c1ccc(Br)cc1	915828528	OPWHNXUBUUDZRU-UHFFFAOYSA-N	309.167	1.801	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)Cc1csc(Cc2ccccc2)n1	910171576	YHQNBDZAUKMBOD-LBPRGKRZSA-N	319.430	1.620	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1ccc([N+](=O)[O-])c(O)c1	748133451	LXJAGEMYSFTZNE-UHFFFAOYSA-N	321.318	1.411	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)N[C@@H]3CCNC3)cc2C1	841938574	FYIVNGGTSQSGKU-MWLCHTKSSA-N	322.434	1.179	50	20	DDGD	
Cc1nc(-c2ccccc2)[nH]c1C(=O)NNC(=O)c1cccnc1	916095027	OQQWMMZUUDCMEC-UHFFFAOYSA-N	321.340	1.855	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC[C@@H]2CCNC2)c1	841938626	NXBYYRCIAPYXRK-NSHDSACASA-N	306.366	1.099	50	20	DDGD	
C[C@@H]1CCC[C@@H](C(=O)OCC(=O)NNC(=O)c2cccs2)C1	745153335	KNFAOGJJKRJCDG-GHMZBOCLSA-N	324.402	1.879	50	20	DDGD	
COCCCCC(=O)NNc1ncc(Br)cn1	848320438	SFTVIJKLTACDFX-UHFFFAOYSA-N	303.160	1.499	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1ccnn1CC(C)C	842525195	KSKAASANVANUPX-UHFFFAOYSA-N	306.395	1.650	50	20	DDGD	
O=C(NC[C@H]1CC1(Cl)Cl)NNc1cncc(Cl)n1	915907808	GQVRSFDNOZQKTM-RXMQYKEDSA-N	310.572	1.950	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CC[C@H]2C(N)=O)c(Cl)c1	848044284	GYIJBLBTHVJLKU-RKDXNWHRSA-N	324.768	1.313	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)COc2ccccc2O)s1	749380525	AWFCJRUQJJLCHX-UHFFFAOYSA-N	317.326	1.165	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)NCC2(N)CCC2)cc1	841966983	KOVPQTSXKPCBOF-UHFFFAOYSA-N	322.434	1.299	50	20	DDGD	
CC(=NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)c1ccc(CC(=O)O)cc1	844615007	RGVPVRZGVODDNG-QLFBSQMISA-N	316.357	1.721	50	20	DDGD	
COc1cccc(C=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)c1	916345446	ZAVXYXVXMKIFLV-UHFFFAOYSA-N	314.301	1.950	50	20	DDGD	
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NNC(=O)C2CC2)C1	741207327	RXQDNBDNGJDYKR-LBPRGKRZSA-N	324.425	1.012	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)NC1CC2(CCC2)C1	845723116	AJZVYWPSZZFSLG-UHFFFAOYSA-N	319.361	1.434	50	20	DDGD	
Cc1ccccc1NC(=O)NN=C1CCN(S(C)(=O)=O)CC1	747633002	KCPRSOQOSLDNBD-UHFFFAOYSA-N	324.406	1.528	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1[N+](=O)[O-])c1ccccn1	916322143	NURNPQXNJLWEMK-UHFFFAOYSA-N	314.301	1.909	50	20	DDGD	
CN(CC(=O)NNC(=O)C(C)(C)C)Cc1ccc(F)cc1F	744385787	OSFUNWBXWJWKFL-UHFFFAOYSA-N	313.348	1.590	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(-c2n[nH]c(C)n2)cc1	746171256	PVBMETSICBGNHI-UHFFFAOYSA-N	302.338	1.134	50	20	DDGD	
CC[C@]1(C(=O)NNc2ccccc2S(C)(=O)=O)CCCN1	843437209	QWKBCQALYLEKEH-CQSZACIVSA-N	311.407	1.065	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2C[C@]2(C)c2ccccc2)n1	745858758	SYUCATHWMANFIJ-MLGOLLRUSA-N	313.361	1.842	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccccc1SCC#N	843971961	CWZHGEWXPFGLPQ-GHMZBOCLSA-N	319.386	1.488	50	20	DDGD	
N#CC1(CNC(=O)NNC(=O)COCc2ccccc2)CCC1	842199893	WPAIZVXJCBETQZ-UHFFFAOYSA-N	316.361	1.227	50	20	DDGD	
O=C(NNS(=O)(=O)[C@@H]1C[C@H]1c1ccccc1)C1CCCC1	840911662	LZLDNJXTVUNXBL-UONOGXRCSA-N	308.403	1.683	50	20	DDGD	
CC(C)(O)[C@H](Oc1ccccc1)C(=O)NNc1ncncc1F	854608954	ILAOORWPLUKQDZ-GFCCVEGCSA-N	320.324	1.277	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCSC[C@H](C)C1	753837257	JPRLGMLUMZIVHD-VXGBXAGGSA-N	301.456	1.253	50	20	DDGD	
C[C@@]1(CNC(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1Br	857393783	MZAGOAHZQLYKSL-KCJUWKMLSA-N	300.156	1.017	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H]2CCCC[C@@H]2CN)C[C@H]1Br	857103459	JPSXFPJJOBXYAQ-PRULPYPASA-N	318.259	1.977	50	20	DDGD	
C=CCNC(=S)NNC(=O)C(C)(C)Oc1ccc(OC)cc1	854185828	LSCBMWUEAGJMOL-UHFFFAOYSA-N	323.418	1.534	50	20	DDGD	
CC[C@H](COC)NC(=O)NNc1cccc(C(=O)OC)c1C	853770996	RVSFFDDHTOXVJD-LLVKDONJSA-N	309.366	1.833	50	20	DDGD	
CCOC1(C(=O)NNc2ncc(F)cc2F)CCOCC1	854898862	GAYGAYYSUDYWAC-UHFFFAOYSA-N	301.293	1.389	50	20	DDGD	
COCCC(C)(C)C(=O)OCC(=O)NNC(=O)c1ccccc1	759672841	UBJRYEVLTDLPSP-UHFFFAOYSA-N	322.361	1.054	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)COc1ccccc1O)C1CCC1	756095960	FYHYMIHMFZTRTO-SNVBAGLBSA-N	307.350	1.290	50	20	DDGD	
C[C@H]1CN(C(=O)NC[C@]2(C)C[C@@H]2Br)C[C@@H](C)O1	856899792	GQQFGFRFKHXJHS-WYFGTUCQSA-N	305.216	1.979	50	20	DDGD	
C[C@]1(CNC(=O)C2CCS(=O)(=O)CC2)C[C@@H]1Br	857399562	XDGOGLYMRORDHU-GXSJLCMTSA-N	324.240	1.101	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cc(F)cc2nn[nH]c12	855089618	YZPVGBWHPLMOEU-UHFFFAOYSA-N	322.369	1.006	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc(OCCN(C)C)c1	755927076	QJIBWLUBGYJQFY-GFCCVEGCSA-N	322.409	1.826	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)COCc2ccccc2)o1	754040973	BNKRMWBHYYLEBZ-UHFFFAOYSA-N	302.330	1.495	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(C)c1ccc2c(c1)OCO2	756653479	KFOURNGMUKXKCL-NSHDSACASA-N	321.377	1.434	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)Cn1cc([C@@H](C)O)nn1	928340270	PLNQKVFTUCXWRO-SECBINFHSA-N	309.757	1.437	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NC[C@]1(C)C[C@H]1Br	857395349	SAGVNCNYALBUTQ-PELKAZGASA-N	306.200	1.865	50	20	DDGD	
CC(Cn1cncn1)=NNC(=O)CNc1ccc(C)cc1C	853276934	JLPSEIOQIGVLLI-UHFFFAOYSA-N	300.366	1.499	50	20	DDGD	
C#CCN1CCC[C@H](NC(=O)c2c(C)nn(CCCl)c2C)C1	923574527	HJWVEBKBTCTYMJ-AWEZNQCLSA-N	322.840	1.566	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCC(=O)c1ccc(Cl)cc1	854929189	ASVDECAHZLABIP-UHFFFAOYSA-N	313.810	1.770	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1csc(C2CC2)n1	920371483	SEZZLZABVQOXQL-LLVKDONJSA-N	322.434	1.439	50	20	DDGD	
CCN(C)C(=O)[C@@H](C)NC(=O)NNc1ccc(F)c(F)c1	922156321	MKPLVZWNOZCLJJ-MRVPVSSYSA-N	300.309	1.458	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2nccnc2Cl)[C@@H]2CCCC[C@H]2N1	857127501	RIACGLDCUDCGDA-LPEHRKFASA-N	323.784	1.268	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C2CCCC2)ccc1C(N)=O	756401033	NOGDUJJTQPHNMC-UHFFFAOYSA-N	304.350	1.437	50	20	DDGD	
O=C(NNc1nc2ccc(Cl)cc2s1)[C@H]1COCCO1	856234199	PHWLYLZFOVPPQF-SECBINFHSA-N	313.766	1.808	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)Cc1cn2ccccc2n1)C1CC1	852593083	CCUOUTHTFIBUNP-ZDUSSCGKSA-N	315.377	1.396	50	20	DDGD	
CN(NS(=O)(=O)c1ccc(N)cc1F)C(=O)OC(C)(C)C	851796231	YJYAZOVSUSNSJS-UHFFFAOYSA-N	319.358	1.468	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1ccc(F)cc1N(C)C	759196026	GLESIKFMBXFAOF-UHFFFAOYSA-N	306.341	1.011	50	20	DDGD	
Cc1ccc(NNC(=O)NCCN2CCOC[C@@H]2C)cc1F	853679504	ZVYPWFKZPLNQMZ-LBPRGKRZSA-N	310.373	1.481	50	20	DDGD	
CCOC(=O)C[C@@H](C)CNC(=O)NNc1ccc(Cl)cn1	852234315	YPAPHJGTMHBYJE-SECBINFHSA-N	314.773	1.950	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(Cl)n2)nn1C(C)C	857325241	TYPOVHQINWPJMM-UHFFFAOYSA-N	321.768	1.896	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(F)ccc1N1CCCCC1	756314904	JQJQGXOHWDUCQZ-UHFFFAOYSA-N	324.356	1.615	50	20	DDGD	
N#Cc1ccccc1Oc1ccccc1C(=O)NNC(=O)CO	753442785	PHILIXISUMXGBP-UHFFFAOYSA-N	311.297	1.104	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCCn2cccn2)c1	858151143	VJIVDKHHWSAGCK-UHFFFAOYSA-N	307.379	1.287	50	20	DDGD	
O=C(CCCOC1CCOCC1)NNC(=O)c1ccccc1	864412964	VJOHDDZSXGNDGE-UHFFFAOYSA-N	306.362	1.423	50	20	DDGD	
N#C/C(=C\c1ccc(CC(=O)O)cc1)S(=O)(=O)NC1CC1	863188691	JWHCEJWNZCDIBC-NTUHNPAUSA-N	306.343	1.260	50	20	DDGD	
CC[C@@H]1Cc2ccccc2CN1CC(=O)NNC(=O)C1CC1	767885274	YHBVPTIHKSVOEC-OAHLLOKOSA-N	301.390	1.381	50	20	DDGD	
O=C(Cc1ccc2c(c1)OCO2)NNc1nc2ccccc2[nH]1	768496361	PZEBGSGMMBJFHS-UHFFFAOYSA-N	310.313	1.977	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cc(Br)nn1C	760531270	MZBNSLRESOKTGT-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
CC(=O)Nc1ccc(F)c(C(=O)NN[C@H](C)C(F)(F)F)c1	862309005	KQTFIAMUWDNFAZ-ZCFIWIBFSA-N	307.247	1.969	50	20	DDGD	
Cc1cccc(C2(C(=O)NNC(=O)c3cc(C)[nH]n3)CCC2)c1	768276862	IOCFOSVPYWXYSN-UHFFFAOYSA-N	312.373	1.909	50	20	DDGD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NNCC(F)(F)C(F)(F)F	863098329	DIIHKHRYXNKLKJ-RQJHMYQMSA-N	302.243	1.810	50	20	DDGD	
COCC(=O)NN=Cc1cc(Br)ccc1OC	761821411	GQQLWCKPBWIPRD-UHFFFAOYSA-N	301.140	1.554	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNc1nc2ccccc2[nH]1	768502176	PWNQQYHSXMUICY-UHFFFAOYSA-N	319.365	1.921	50	20	DDGD	
CNC(=O)c1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cn1	768243442	PIGKZCGLPLWEKU-UHFFFAOYSA-N	315.289	1.106	50	20	DDGD	
O=C(NCCc1ccc(Cl)nc1)NNC(=O)C1CCCC1	761774865	RQVRFLWKRXQPSK-UHFFFAOYSA-N	310.785	1.798	50	20	DDGD	
Cc1c(C(=O)NNC(=S)NC(C)C)nnn1CC1CCCC1	1116857953	ZQCRRKIOXPDFFP-UHFFFAOYSA-N	324.454	1.294	50	20	DDGD	
O=C(NNc1cccnn1)C(F)(F)c1ccc([N+](=O)[O-])cc1	778506769	RVJKGNRBZHGEFM-UHFFFAOYSA-N	309.232	1.620	50	20	DDGD	
O=C(NNc1ccc(F)cn1)[C@H]1CCCN(CC(F)(F)F)C1	874649371	MTAFTAHDTFICJW-VIFPVBQESA-N	320.290	1.938	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1cc(C)nc(N2CCCC2)c1	875593217	DSONCNPUKPNKKO-UHFFFAOYSA-N	321.381	1.403	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)c1nc2ccccc2s1	874913564	OLXNOLIFYLRHAS-SECBINFHSA-N	307.375	1.730	50	20	DDGD	
COCCCOc1ccccc1NC(=O)NN(C)C(=O)OC	878410819	BZTFIIUZYGPZKR-UHFFFAOYSA-N	311.338	1.837	50	20	DDGD	
Cc1nscc1C(=O)NNC(=O)[C@H]1COc2ccccc2O1	771500412	RSDFVNNYGDSCCT-GFCCVEGCSA-N	319.342	1.053	50	20	DDGD	
COc1ccccc1C(C)(C)C(=O)NNC(=O)c1cccnn1	882058837	RAWDEPYZNXFOMI-UHFFFAOYSA-N	314.345	1.224	50	20	DDGD	
CN1CCN(C(=O)NC[C@@]2(C)C[C@@H]2Br)CC1(C)C	883733706	CYPRDHVDKTUBKN-GXFFZTMASA-N	318.259	1.896	50	20	DDGD	
C[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(CCCl)cc1	385143668	OFOKOJHMBFHUAH-PWSUYJOCSA-N	303.811	1.612	50	20	DDGD	
O=C(CN1CC[C@@H](CF)C1)NNC(=O)c1cccc(Cl)c1	880296699	DCLILVSUSFZHCQ-JTQLQIEISA-N	313.760	1.392	50	20	DDGD	
O=C(NC[C@H]1CCCCS1)NNC(=O)C1CCOCC1	883605225	PNKHWVDKFHZHRH-LLVKDONJSA-N	301.412	1.029	50	20	DDGD	
CCNC(=O)NNS(=O)(=O)c1cc(Cl)c(OC)cc1C	788480395	PHLAUHGDHQCSRR-UHFFFAOYSA-N	321.786	1.169	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)CCCSC(C)(C)C)CC1	788169888	VBXZMIIHPABOQU-UHFFFAOYSA-N	316.471	1.287	50	20	DDGD	
C[C@@H](COCC(F)(F)F)NS(=O)(=O)CCCCCl	780733095	BQABURLHSXMKQR-QMMMGPOBSA-N	311.753	1.892	50	20	DDGD	
CC(C)(C)[C@H](N)CC(=O)NNc1ncc(Br)cn1	1122053281	ARDNKHHXIJJFNZ-MRVPVSSYSA-N	316.203	1.446	50	20	DDGD	
CCCOc1cc(OC)ccc1C(=O)NNC(=O)NC(C)C	789748248	OPTIHPRPCLMLSU-UHFFFAOYSA-N	309.366	1.836	50	20	DDGD	
C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NNC(=O)CC(F)(F)F)CN2C1	1123903622	SSSGXFGUMBZFDQ-BBBLOLIVSA-N	307.316	1.207	50	20	DDGD	
Cc1noc(C2(C)CCN(S(=O)(=O)CCCCl)CC2)n1	882053999	HSIBXHGPCBBJPG-UHFFFAOYSA-N	321.830	1.690	50	20	DDGD	
CC(=O)Nc1ccc(C)c(C(=O)NNC(=O)C2CCCC2)c1	780347581	SZSZOZCQFNGGNS-UHFFFAOYSA-N	303.362	1.905	50	20	DDGD	
CC(=O)Nc1ccc(CC(=O)NNc2ncncc2Cl)cc1	781820247	SHAPJKRDLGRVIT-UHFFFAOYSA-N	319.752	1.774	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)Cc2cncs2)c1	782217162	TZHSEDIMJRARPK-UHFFFAOYSA-N	321.358	1.164	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@]2(OC)CCSC2)c1C	898715077	WCJYDJBWWDCHEN-HNNXBMFYSA-N	324.402	1.747	50	20	DDGD	
NC(=O)[C@H]1CCC[C@@H](C(=O)NNc2ccc3ccccc3n2)C1	787232719	GKSCNCIYCMAAJP-QWHCGFSZSA-N	312.373	1.970	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(F)c(NC(C)=O)c2)nc1	781528268	YPVJIWJFIPZMJT-UHFFFAOYSA-N	318.308	1.945	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H]2CCCN2C(C)C)c1O	893024050	WVFDDSXUXVDZKU-LBPRGKRZSA-N	321.377	1.035	50	20	DDGD	
CC(C)[C@H]1C[C@H](CC(=O)NNc2ccnc(N(C)C)n2)CCO1	782118790	WFNQLDJPMLWZBK-CHWSQXEVSA-N	321.425	1.827	50	20	DDGD	
CC/C(C)=C(/C)C(=O)OCC(=O)NNC(=O)c1cccs1	780216506	DBUAGRNNFJPQLO-KTKRTIGZSA-N	310.375	1.799	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2ncccc2C)ccc1F	792374195	ARJDZTAOKRZWJZ-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
CC[C@H](C)CC[C@@H](O)CC(=O)NNC(=O)NCc1ccco1	793207766	QSDBEBGSBJFJJJ-NWDGAFQWSA-N	311.382	1.687	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)CCc1nc[nH]n1	798141648	CUFNHDFKRPLNLQ-UHFFFAOYSA-N	309.761	1.447	50	20	DDGD	
Cc1cnn(C)c1C=NNC(=O)Nc1ccc(C(=O)O)cc1	794915787	VBAZUXCQKWOYLR-UHFFFAOYSA-N	301.306	1.582	50	20	DDGD	
CCOc1cccc(C=NNC(=O)c2ccc(O)c(O)c2)c1O	794558906	LIXPPYYRAUJHCU-UHFFFAOYSA-N	316.313	1.966	50	20	DDGD	
CC(C)O[C@H](C(=O)NNC(=O)NCC1CC1)c1ccccc1	794245995	AFZOFKMFVKTFMA-AWEZNQCLSA-N	305.378	1.893	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1CCC(C(F)F)CC1	799473691	MQEAMLRXONHKAY-PXYINDEMSA-N	317.380	1.882	50	20	DDGD	
N#CC1(CNC(=O)NNC(=O)Cc2ccc(Cl)cc2)CC1	797581423	TWVRBEJRZFKQOL-UHFFFAOYSA-N	306.753	1.517	50	20	DDGD	
C=C(CBr)COC(=O)[C@H](C)NC(=O)c1ccoc1	795452960	WERWNKOVOVSLAH-VIFPVBQESA-N	316.151	1.892	50	20	DDGD	
CC(C)n1cnc(C(=O)NNc2nc(O)c3ccccc3n2)c1	799101417	KGDCRRPKENWPSD-UHFFFAOYSA-N	312.333	1.870	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)C2CCC(O)CC2)c1	792301547	RHRVAXQSUREPEE-UHFFFAOYSA-N	312.391	1.084	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)NNc2nncc(N)c2Cl)c1C	1319241236	XZWOIPWXXAEXPI-UHFFFAOYSA-N	322.756	1.617	50	20	DDGD	
Cn1ncc([N+](=O)[O-])c1C(=O)NNC(=O)c1ccccc1Cl	1324966202	CSVDKRCKYNQEFN-UHFFFAOYSA-N	323.696	1.057	50	20	DDGD	
C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)NNC(=O)C1CCNCC1	1325366287	KTQSKYVLXYDZEW-AAEUAGOBSA-N	310.442	1.531	50	20	DDGD	
O=C(Cn1cc(C2CC2)nn1)NNc1ccc2c(=O)[nH]ccc2c1	1321961536	IJJGPCYMKRWAOL-UHFFFAOYSA-N	324.344	1.140	50	20	DDGD	
Cc1ccnc(O)c1C(=O)NNC(=O)Cc1ccc(Cl)cc1	1320754673	XZBUQYGOQFPQQA-UHFFFAOYSA-N	319.748	1.753	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CCO)n([C@H]2C[C@H]3CC[C@H]2C3)n1	1320400626	KIWFLMSNJAPBPF-SRVKXCTJSA-N	321.381	1.088	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NN=c1cc[nH]cc1	1331696830	RDHYPQXFQWMTPQ-WCFLWFBJSA-N	318.377	1.202	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNc1ncc(C(=O)OCC)c(C)n1	1331697102	UBYFSYFBUPHTFS-LBPRGKRZSA-N	324.381	1.610	50	20	DDGD	
COC(=O)[C@H](NNC(=O)c1ccccn1)c1ccccc1Cl	1339215112	ULHSGYBAQRPGEO-CYBMUJFWSA-N	319.748	1.884	50	20	DDGD	
CC(=NNC(=O)C1CCOCC1)c1ccc([S@](C)=O)cc1	1262038238	CHDJEHPATAJACC-NRFANRHFSA-N	308.403	1.691	50	20	DDGD	
O=C(NN=Cc1ccccc1N1CCOCC1)C1CCOCC1	1262038722	WZIFYOADQXNEHR-UHFFFAOYSA-N	317.389	1.400	50	20	DDGD	
Cn1ccc(NNC(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C)n1	1261771737	GSPJPGAQJGFDKM-LLVKDONJSA-N	310.398	1.867	50	20	DDGD	
Cn1nc2ccccc2c1C(=O)NNC(=O)NC1CCCCC1	1342858069	AQBMXBFIUPELEM-UHFFFAOYSA-N	315.377	1.850	50	20	DDGD	
CC(C)n1nccc1NC(=O)C(=O)NNc1ncccc1F	1346591109	LIUTWGMPLBLRPR-UHFFFAOYSA-N	306.301	1.080	50	20	DDGD	
CN[C@H](C)CCNC(=O)NNC(=O)Nc1cc(F)cc(F)c1	1261376317	MQHCJEJEANSDNE-MRVPVSSYSA-N	315.324	1.299	50	20	DDGD	
COc1c(Br)cccc1C(=O)NNC(=O)N(C)C	1347525506	ARJDWRFJVHQWBH-UHFFFAOYSA-N	316.155	1.374	50	20	DDGD	
C[C@@]1(COC(=O)c2coc(C(N)=O)c2)C[C@H]1Br	1526044078	GINUOUHJEIBSTL-KCJUWKMLSA-N	302.124	1.709	50	20	DDGD	
NCCCCCCNC(=O)NNc1ccc(F)c(C(=O)O)c1	1601187644	XKSVUIMODUZEGC-UHFFFAOYSA-N	312.345	1.669	50	20	DDGD	
Cc1cc(=NNC(=O)Nc2nc(CCC(=O)O)cs2)cc[nH]1	1600281494	BNQDZXVGFZVCOK-UHFFFAOYSA-N	321.362	1.434	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)CCCCC(=O)O)c1	1604091325	XPFKBVWKVQJXQQ-UHFFFAOYSA-N	307.350	1.159	50	20	DDGD	
O=C(NNc1ccccc1F)c1ccc(-c2nn[nH]n2)cc1F	1606861770	CXCPIXUODVWRAJ-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
CO[C@H](C(=O)O)C(=O)NNc1cc(Br)ccc1F	1604435504	VZAAROUCLYRWJI-QMMMGPOBSA-N	321.102	1.131	50	20	DDGD	
CO[C@H](C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1)C(C)C	1604993652	LWNBLCDFKZEIHN-VIFPVBQESA-N	323.357	1.092	50	20	DDGD	
C=CCOCCCNC(=O)NNc1ccc(C(=O)O)c(F)c1	1602915123	DBOMOMOMMMGAHN-UHFFFAOYSA-N	311.313	1.743	50	20	DDGD	
Cc1cccc(NNC(=O)Cc2ccc(-c3nn[nH]n3)cc2)n1	1605919527	DNBXGONNMYGFLQ-UHFFFAOYSA-N	309.333	1.256	50	20	DDGD	
Cc1cc(C=NNC(=O)COc2ccccc2F)[nH]c1C(=O)O	1600185673	UCGDLQCCGHUSQY-UHFFFAOYSA-N	319.292	1.690	50	20	DDGD	
CC(C)OCCCNC(=O)NNc1ccc(F)c(C(=O)O)c1	1603923404	LHRKSTVFLYPDSW-UHFFFAOYSA-N	313.329	1.965	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)C(=O)O)c1	1607317385	NFNZJDJIOHKZNZ-NJQKBMNKSA-N	303.270	1.188	50	20	DDGD	
C=C[C@H](NNC(=O)c1ccc(-n2c(C)ccc2C)cc1)C(=O)O	1609272212	KRVPBPRLEJSXQV-HNNXBMFYSA-N	313.357	1.968	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1c[nH]c(C(=O)O)c1	1610674137	UHMZRTJZBIQDMM-UHFFFAOYSA-N	321.720	1.370	50	20	DDGD	
COc1ccsc1C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549320351	ZKNQFEFJLOOSOQ-JQWIXIFHSA-N	309.391	1.070	50	20	DDGD	
COCC(C)(C)C=NNC(=O)[C@H]1CCCO[C@@H]1c1nccn1C	1549312592	WUBXAKMBDRZJKR-STQMWFEESA-N	322.409	1.662	50	20	DDGD	
Cc1cc(F)ccc1C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549318453	PROYRLFNOGYIJZ-GJZGRUSLSA-N	305.353	1.447	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1ccccc1C(=O)O	1610020320	YAOUHXJPPWERIA-UHFFFAOYSA-N	309.322	1.354	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@@H]1C=NNC(=O)CC(F)(F)F	1552447816	YDCSXXVAQHJRHG-KOLCDFICSA-N	318.299	1.942	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)Nc1cc2n(n1)CCCC2	1574578724	MVMSXAIKSIUGKJ-UHFFFAOYSA-N	316.321	1.461	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@@H]1CSCN1	1578265720	HPDKQHBRMZREPU-NSHDSACASA-N	324.475	1.538	50	20	DDGD	
CNNC(=O)[C@@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1	1578744716	MHSVRRGWAINTNN-ZDUSSCGKSA-N	321.446	1.750	50	20	DDGD	
C[C@]1(CNC(=O)C2(C(=O)O)CCOCC2)C[C@H]1Br	1589240879	ARSUUALKBKVASR-LDYMZIIASA-N	320.183	1.158	50	20	DDGD	
Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNc1ccc(Cl)cn1	1580465112	MOEZHDCMOMDTTG-UHFFFAOYSA-N	318.728	1.309	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)CCC12CC(CN1)C2	1580544593	GZLUGDLMTMVFLQ-UHFFFAOYSA-N	317.389	1.004	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@]1(C(=O)O)CC1(C)C)c1ccccc1	1588609789	DWOUASLAIXMCLU-KRWDZBQOSA-N	318.373	1.613	50	20	DDGD	
CC(C)(C)N1CC[C@@](F)(C(=O)NNc2ccc(C(=O)O)cn2)C1	1589806611	RKZQTTKIMNTXLF-HNNXBMFYSA-N	324.356	1.435	50	20	DDGD	
CC[C@@H](C)[C@H](C=NNC(=O)c1cccc(-c2nn[nH]n2)c1)OC	1590401650	WNUWWDYPQOZIKD-MFKMUULPSA-N	316.365	1.643	50	20	DDGD	
CCOc1cc(C=NNC(=O)NCC(=O)O)cc(Cl)c1O	1597032452	FUCDFVGRCFLJGT-UHFFFAOYSA-N	315.713	1.162	50	20	DDGD	
CC[C@@](C)(CNC(=O)NNc1ccc(C(=O)O)cc1F)OC	1594834195	ANJAAXGSXRWOQI-AWEZNQCLSA-N	313.329	1.965	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H]1CC[C@H]1C(=O)O	1594145915	DJZKIDURHTZCNY-RKDXNWHRSA-N	323.374	1.124	50	20	DDGD	
Cc1ccc(C=NNC(=O)c2sc(N)nc2C)cc1C(=O)O	1776029337	ILFVPFKRZJLINN-UHFFFAOYSA-N	318.358	1.804	50	20	DDGD	
COC(=O)NNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1	15590367	OOZFJUWAZRMECB-UHFFFAOYSA-N	322.321	1.198	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CC(C)(C)CC(=O)O)cc1	16481747	HKYGQVMPHWNWIR-UHFFFAOYSA-N	322.361	1.412	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)CNc2ccccc2OC)co1	161622423	RHMUOUKEEUQDNV-UHFFFAOYSA-N	318.333	1.119	50	20	DDGD	
CC[C@H](C)Oc1ccc(C(=O)NNC(=O)c2cc(C)n[nH]2)cc1	153156973	CCJXUPCREVWDOY-NSHDSACASA-N	316.361	1.970	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)Cc2ccncc2)CCCS1	153353162	OGEWYMOFXPFTHS-CQSZACIVSA-N	308.407	1.240	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNc1ncccc1[N+](=O)[O-]	154394369	KSCHVQDECOAOBW-MRVPVSSYSA-N	318.337	1.967	50	20	DDGD	
COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)CCCCl	36881728	JYBFIVALHYFAEY-LBPRGKRZSA-N	319.810	1.319	50	20	DDGD	
C[C@@H](C[C@H](C)NS(=O)(=O)CCl)NC(=O)OC(C)(C)C	827792692	NLVLPGNHTNKRJA-IUCAKERBSA-N	314.835	1.794	50	20	DDGD	
N#C[C@H]1CN(S(=O)(=O)CCl)CCN1Cc1ccccc1	830524007	CFDOANNSFYCGSG-ZDUSSCGKSA-N	313.810	1.222	50	20	DDGD	
O=C(CCCOc1cccc(F)c1)NNC(=O)[C@@H]1CCCO1	58248981	MPZZJPJWRIPFPY-ZDUSSCGKSA-N	310.325	1.311	50	20	DDGD	
CCn1nc(C(=O)NNc2ccnc3ccccc23)ccc1=O	111615792	OGJPMBUQJLKRMN-UHFFFAOYSA-N	309.329	1.568	50	20	DDGD	
O=C(NC[C@@H]1CCCOC1)NNC(=O)c1ccc(Cl)cc1	57162892	YXIOJOGMXLSHHM-JTQLQIEISA-N	311.769	1.711	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)Cc1cn2ccccc2n1	177692595	VABOXLLLFRWKLY-UHFFFAOYSA-N	309.329	1.041	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cn1	117683014	WSRPLYKGLNCLHJ-UHFFFAOYSA-N	323.696	1.057	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@@H]1CCOC1	69316086	MPDWQBLTRMSRQQ-DLUQRMLASA-N	306.406	1.777	50	20	DDGD	
CC(=O)CCCC(=O)NNC(=O)c1cc(Br)c[nH]1	178337286	TVMIQGPBFKCYAW-UHFFFAOYSA-N	316.155	1.298	50	20	DDGD	
C[C@@H]1CCc2nc(C=NNC(=O)Cc3cc[nH]n3)sc2C1	1347634625	UYTRKVXATNQFON-SECBINFHSA-N	303.391	1.684	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2ccc([N+](=O)[O-])cc2)n1	174496978	IAHKXJSNDWXBBA-UHFFFAOYSA-N	317.305	1.388	50	20	DDGD	
Cn1ccc(NNC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C)n1	1261771738	GSPJPGAQJGFDKM-NSHDSACASA-N	310.398	1.867	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCC[S@@](=O)C(C)(C)C	116966096	PJGJDGFDIPMYGH-FQEVSTJZSA-N	305.444	1.300	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1c(C)nn(C(F)F)c1C	65621592	IIWUNFCLYAVBMW-UHFFFAOYSA-N	317.365	1.119	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1cc(F)cc2[nH]cnc12	65175725	HGYHBCSEEARTMX-UHFFFAOYSA-N	317.280	1.439	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)C(=O)Nc1cccc(Cl)c1	123117592	MDIUVZBUNBRXGE-UHFFFAOYSA-N	306.709	1.068	50	20	DDGD	
CCCc1ccc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1	67477712	JUNMYZCQSLFCQV-OAHLLOKOSA-N	324.446	1.745	50	20	DDGD	
COCCOc1cccc(C(=O)NNc2ncc(F)cn2)c1	123061682	MIHHCZLMXCXVBZ-UHFFFAOYSA-N	306.297	1.398	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)c1C#N	126166952	ZCGHBXLZOPJJEC-UHFFFAOYSA-N	316.361	1.389	50	20	DDGD	
Cc1c([N+](=O)[O-])cc(C(=O)NNc2ccccn2)cc1[N+](=O)[O-]	181911387	WCFMTYSIIOTTFT-UHFFFAOYSA-N	317.261	1.963	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2[C@H]3CCO[C@@H]3C23CCC3)nn1	123362081	BJBJXGIBSXXKIH-WXHSDQCUSA-N	303.366	1.369	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)[C@@H]1COc2ccc(F)cc2C1	121113003	CYKKQVTTYMVRCZ-VIFPVBQESA-N	322.727	1.964	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cnn(CC(C)C)c2C)n1	125539079	JTNUYYAIFRMBKA-UHFFFAOYSA-N	318.381	1.711	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1ccc(-n2cnnc2)cc1	122029003	GTTCDRSFNGSYIH-UHFFFAOYSA-N	323.312	1.048	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)ccc1O)c1cccc(F)n1	127865953	FEUYSAAULRBAOK-UHFFFAOYSA-N	309.684	1.655	50	20	DDGD	
Cc1cccc2c(CC(=O)NNC(=O)Cc3cccnc3)c[nH]c12	126561536	GZHVYSWIBJYJGX-UHFFFAOYSA-N	322.368	1.804	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1cccc(C)n1	78809994	YETBXRRPTJNLOW-UHFFFAOYSA-N	314.345	1.272	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NNC(=O)c1ccccc1O	122028341	AQGPWVLVGGFJSX-TUAOUCFPSA-N	305.378	1.415	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2cccc(N(C)C)c2)[nH]n1	122565736	OVJFDVUUHJFROJ-UHFFFAOYSA-N	301.350	1.113	50	20	DDGD	
C[C@@H](Cc1ccccc1F)C(=O)NNC(=O)c1cnn(C)c1	78134685	FNMGGUCQBACCCR-JTQLQIEISA-N	304.325	1.199	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)Cc2cccnc2)cc1F	184069569	KZDOSTKGANHXHQ-UHFFFAOYSA-N	318.308	1.625	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cccn2C)c(C)n1	186624251	XXRSEVWBKBFTGL-UHFFFAOYSA-N	303.322	1.204	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCc2nccs2)c1	80043442	MKXNPNQMTGPNNV-UHFFFAOYSA-N	320.374	1.361	50	20	DDGD	
COc1ccc(C(=O)NNc2nc3ccccn3n2)c(OC)c1	191913016	VNXRGYKTSINTGI-UHFFFAOYSA-N	313.317	1.503	50	20	DDGD	
CC[C@@H]1CCC[C@H](NC(=O)NNC(=O)Cc2ccncc2)C1	83233009	LUYQCVYCSWSSAB-OCCSQVGLSA-N	304.394	1.923	50	20	DDGD	
C[C@H](C(=O)NNc1nc2ccccn2n1)N1CCCCCC1	191892431	GKMKIIDDRISPHJ-GFCCVEGCSA-N	302.382	1.437	50	20	DDGD	
Cc1cncc(NC(=O)C(=O)NNc2cc(C)ccc2F)c1	190473799	ZVVMTALJOCXOIP-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@H]1CCc2cn[nH]c2C1	80183676	VEEQZMVPHJEHSH-NSHDSACASA-N	324.344	1.708	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccc(F)cc1Cl	81027959	QTKIJFNGXKYSJZ-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)CCOc2ccccc2)CCO1	144693994	XGKFKGSXGXOJDI-ZDUSSCGKSA-N	321.377	1.307	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)CCOC[C@@H]2CCCO2)c1	93542797	GFZVKVQETMLSOK-NSHDSACASA-N	324.768	1.635	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1ccc(NC(=O)C2CC2)cc1	96951227	DBTZPMWYWWXTND-UHFFFAOYSA-N	312.329	1.438	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNc2cc(C)ncn2)cc1OC	255836780	OTMXAXFZWAXIPW-ALCCZGGFSA-N	314.345	1.959	50	20	DDGD	
CCCNC(=O)CCC(=O)NNC(=O)C(C)(C)c1ccccc1	264760586	MQXXDVUSHBMOLO-UHFFFAOYSA-N	319.405	1.418	50	20	DDGD	
C[C@@H]1CCC[C@H](NC(=O)NNC(=O)COc2ccccc2O)C1	264551528	CWAOSPRHWBWSMI-NEPJUHHUSA-N	321.377	1.680	50	20	DDGD	
COc1cccc(C2(C(=O)NNC(=O)NC3CC3)CCCC2)c1	264570962	RPQCSYDKRUSSSU-UHFFFAOYSA-N	317.389	2.000	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)CCNC(=O)c1ccc(F)cc1	264007771	DTXBHBAXZVTLAK-UHFFFAOYSA-N	323.368	1.529	50	20	DDGD	
Cc1cc(C)n(-c2ccc(NC(=O)NNC(=O)C3CC3)cn2)n1	263929073	RGNXEDVWAHKTPF-UHFFFAOYSA-N	314.349	1.447	50	20	DDGD	
CN(C)C(=O)c1cc(NC(=O)NNC(=O)OC(C)(C)C)ccn1	272634884	XOGSBKVYRIMGBH-UHFFFAOYSA-N	323.353	1.345	50	20	DDGD	
CC[C@@H](C)CC(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	276722709	SRRGTUXNEQDJLA-SNVBAGLBSA-N	324.377	1.910	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)[C@@H](C)C2(C)C)n1	279868388	VWMIYFOBLFEOSW-VXGBXAGGSA-N	317.389	1.792	50	20	DDGD	
COC(=O)NNC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1	277771890	LFLYXPDTNHICFY-GFCCVEGCSA-N	321.333	1.032	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cc3ccccc3o2)CCO1	271218077	FNJCXIPHUZBNJQ-JQWIXIFHSA-N	317.345	1.944	50	20	DDGD	
C[C@@H]1CC[C@@H](CCC(=O)NNc2ccc(-n3ccnc3)nn2)O1	278528324	CXEPGTMTJCQKNZ-NEPJUHHUSA-N	316.365	1.453	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)COC(C)(C)C	272470082	FNOXZZZRYWFVHJ-UHFFFAOYSA-N	310.350	1.037	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)N(C)C)c1-c1ccccc1	276979362	BCCYOLYBVPFILD-UHFFFAOYSA-N	301.350	1.486	50	20	DDGD	
COCCn1ccc(NC(=O)NNc2ccc(OC)cn2)n1	275542890	ARAGUSUYEUCWBI-UHFFFAOYSA-N	306.326	1.082	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CC[C@H]1Cc2ccccc2NC1=O	271465223	XSTYEXISLZSNJI-LBPRGKRZSA-N	318.377	1.270	50	20	DDGD	
O=C(NNC(=O)[C@]1(O)CCSC1)c1cccc2ccccc12	271041897	ZYOHGFZEJKMQAF-INIZCTEOSA-N	316.382	1.469	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CCn2cnnc2[C@@H]1C	276742950	YLPXZGHGNXJHHX-NSHDSACASA-N	314.349	1.018	50	20	DDGD	
CC(=O)NNC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1	287017576	HDYCXQZBKCTMTC-UHFFFAOYSA-N	318.782	1.060	50	20	DDGD	
C[C@H](C(=O)NNc1nccnc1Cl)N(C)CC(F)(F)F	287340834	FIMDXJGQXDFCLV-ZCFIWIBFSA-N	311.695	1.456	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cc(=O)c2ccc(F)cc2o1	285396371	JRQQEDUDFPCKRX-UHFFFAOYSA-N	306.293	1.739	50	20	DDGD	
C=CC[C@H](CC)NC(=O)NNC(=O)COc1ccccc1F	281250209	GCYBBYYMFKFSCV-NSHDSACASA-N	309.341	1.890	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNC(=O)Nc1ccc(Cl)cc1	283812520	XPTLMRHTZXBSQX-UHFFFAOYSA-N	313.741	1.834	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](c1ccccc1)N1CCCCC1=O	286520309	XMWXMMACVXXHHY-AWEZNQCLSA-N	319.361	1.470	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCCC[C@H]1C	297816089	IWAWKSOKELOFFM-CQSZACIVSA-N	303.406	1.559	50	20	DDGD	
CO[C@@](C)(CNC(=O)NNc1nc2ccccn2n1)C1CC1	292458113	WNQRXDTUNYPYPY-AWEZNQCLSA-N	304.354	1.171	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc(-c2cncnc2)cc1F	294079422	HTRSBZXCRDLQPW-UHFFFAOYSA-N	314.320	1.844	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NC[C@H]1C[C@@H]1C	298734902	MQEFAEOCHRSVTF-GARJFASQSA-N	309.341	1.579	50	20	DDGD	
CC[C@H]1CCC1=NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1	807949717	LEGVCJZFRBWDQM-NSHDSACASA-N	323.418	1.843	50	20	DDGD	
Cc1cc(N(C)C)cc(C)c1NC(=O)NNC(=O)[C@@H]1CCCO1	292695818	NITVBZZEMHKJPB-ZDUSSCGKSA-N	320.393	1.701	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(C)c(F)cc1Cl	806582697	UVFPCSALJRAYJB-UHFFFAOYSA-N	303.721	1.977	50	20	DDGD	
Cn1cc(C(=O)NNc2ncccc2F)c2ccccc2c1=O	804214086	QBLAHLOJPZDDGK-UHFFFAOYSA-N	312.304	1.830	50	20	DDGD	
COCCOc1cccc(CC(=O)NNc2ncccc2F)c1	804213543	PVYZZPGVWFIXBM-UHFFFAOYSA-N	319.336	1.932	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cccc1[N+](=O)[O-]	294440844	ZZWCQLRYKUSKGA-ZANVPECISA-N	321.333	1.161	50	20	DDGD	
O=C(C#Cc1ccccc1)NNc1ccc(-n2ccnc2)nn1	804952931	YVZVQDSKVOYEGH-UHFFFAOYSA-N	304.313	1.157	50	20	DDGD	
O=C(C[C@@H]1CCCC(=O)N1)NNc1ccc(C(F)(F)F)cn1	290459688	MXRFRZLEOQAAID-VIFPVBQESA-N	316.283	1.602	50	20	DDGD	
COc1cccc([C@H](C)CC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	293915261	ARCKVZXGSXJOAJ-XUJVJEKNSA-N	320.389	1.904	50	20	DDGD	
O=C(NC[C@@H]1CCOC1)NNC(=O)c1c[nH]c2ccccc12	298763542	VSPXQQZXNOBAJB-JTQLQIEISA-N	302.334	1.148	50	20	DDGD	
CC(C)(C#N)c1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)cc1	802022750	GXFZWFBRZUPFKH-UHFFFAOYSA-N	323.356	1.771	50	20	DDGD	
CC(=O)N/C(=C/c1ccccc1)C(=O)NNc1cccc(F)n1	804773653	YZIIPGVGGQCSSL-JLHYYAGUSA-N	314.320	1.841	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1ncn(-c2ccccc2)n1	296769966	JKYBYSYWANKDPY-UHFFFAOYSA-N	316.365	1.144	50	20	DDGD	
CN(NC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C	297552633	FTLOSPHWJBLODG-UHFFFAOYSA-N	310.310	1.689	50	20	DDGD	
O=C(NN=C1CC(c2ccccc2)C1)N[C@@H]1CCS(=O)(=O)C1	814815623	FBDRVUBHZZVAAM-ZGTCLIOFSA-N	321.402	1.406	50	20	DDGD	
C[C@@H](NC(=O)c1ccoc1)C(=O)NNc1cccc(Cl)n1	817004853	SSFOBGKGNRDDJZ-MRVPVSSYSA-N	308.725	1.590	50	20	DDGD	
C=CCOc1ccc(C(=O)NNc2cnnn2C)cc1OC	816770931	RCTAAWKOMDLEHJ-UHFFFAOYSA-N	303.322	1.145	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1nnc2ccccc2n1	810891093	CYZMUGDCQQHKHT-UHFFFAOYSA-N	323.312	1.568	50	20	DDGD	
CN(NC(=O)Cc1ccccc1S(=O)(=O)C(F)F)C1CC1	819653038	FUMPHPUUHGHXKR-UHFFFAOYSA-N	318.345	1.351	50	20	DDGD	
CC(C)N1CC(=NNC(=O)COc2ccccc2O)[C@@H](C)C1	814951462	FJHMWMFPYCXLHC-LBPRGKRZSA-N	305.378	1.603	50	20	DDGD	
Cc1ccc(-c2nc(CC(=O)NNc3nc[nH]n3)cs2)cc1	816634261	COPMLLSDQCPLLH-UHFFFAOYSA-N	314.374	1.922	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1cscc1Br	814956544	CXEOEDXEPAALMM-UHFFFAOYSA-N	313.180	1.927	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1cn2cccc(C)c2n1	726770325	QRNCIWBNSJMANG-UHFFFAOYSA-N	303.366	1.316	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)Nc1nnc2ccccn12	814635115	ZCLDWNFDXVVGCR-UHFFFAOYSA-N	303.713	1.926	50	20	DDGD	
Cc1c(CC(=O)NNc2ccc([N+](=O)[O-])cc2Cl)cnn1C	815855842	JYTGOCVSBYSBFG-UHFFFAOYSA-N	323.740	1.976	50	20	DDGD	
C[C@H]1CCCC[C@H]1C(=O)NNC(=O)CNC(=O)c1cccs1	819213025	HEWVKLBFBXPKHT-WDEREUQCSA-N	323.418	1.452	50	20	DDGD	
Cc1nn(C)c(N)c1C=NNC(=O)[C@@H](C)Oc1ccc(F)cc1	814750611	SNOGAPZIISCVGX-SNVBAGLBSA-N	319.340	1.367	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNc1ccc2c(=O)[nH]ccc2c1	812563504	HEJUXEFNIOVCOE-WDEREUQCSA-N	303.362	1.890	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)C1(C(=O)C2CC2)CC1	822935307	PCHWCLMMJPVQMZ-UHFFFAOYSA-N	300.358	1.526	50	20	DDGD	
C[C@H](CSc1ccc(F)cc1)C(=O)NN(C)[C@H](C)CO	823945991	BXCZCXQGMPHWHQ-GHMZBOCLSA-N	300.399	1.898	50	20	DDGD	
CCN(CCO)NC(=O)c1cnn(Cc2ccccc2Cl)c1	823841968	NUDAFLQJIMGMHZ-UHFFFAOYSA-N	322.796	1.544	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H](C)Oc1ccccc1C(F)(F)F	727103738	TVMWQQCFFRYWIR-QMMMGPOBSA-N	319.283	1.823	50	20	DDGD	
C[C@@H]1CCCCN1[C@H](C)CNC(=O)/C(C#N)=C\c1cnn(C)c1	491013756	VDOCWUQWVQUQAI-HCWKHTBGSA-N	315.421	1.706	50	20	DDGD	
Cc1cccc(-n2ncc(C(=O)NN(C)[C@H](C)CO)c2C)c1	823977525	YZOGFSVGHDKVIB-GFCCVEGCSA-N	302.378	1.447	50	20	DDGD	
Cc1cc(O)ncc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	826256745	YPHNIWUDGXXOPC-UHFFFAOYSA-N	311.305	1.033	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H](CO)Cc1ccncc1	490695314	MTLBUIPQYFKORI-QOBZYLRHSA-N	323.352	1.414	50	20	DDGD	
CCn1c(NNC(=O)C(F)(F)CC)nc2ccccc2c1=O	820692941	VPIHNJRXKSLARA-UHFFFAOYSA-N	310.304	1.905	50	20	DDGD	
COCC(=NNC(=O)NCCNC(=O)OC(C)(C)C)C(C)C	491677552	LXIFTQMPYRDZTN-UHFFFAOYSA-N	316.402	1.469	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1SC	496369130	NTRNMFQYMRKJNJ-UHFFFAOYSA-N	311.363	1.433	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCc2ccc(F)c(F)c2)nn1	490662928	FQDUITDKOOIOIK-BJMVGYQFSA-N	303.272	1.317	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)c2cccc(N(C)C)c2)cn1	728801000	PHGMTAQLMCOCFS-UHFFFAOYSA-N	308.341	1.204	50	20	DDGD	
C[C@@H]1CCCC[C@H]1NC(=S)NNC(=O)N=c1cc[nH]cc1	726872108	UZJFACIWWUUWMJ-ZYHUDNBSSA-N	307.423	1.583	50	20	DDGD	
O=C(CC1(O)CCCC1)NNc1ccc(-c2nn[nH]n2)cc1	826404340	WULDKLRZUPDFKL-UHFFFAOYSA-N	302.338	1.005	50	20	DDGD	
Cc1cc(C#N)ccc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	826257040	LAUQLKFCMGWBQW-UHFFFAOYSA-N	319.328	1.804	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@@H]2OCCc3ccccc32)cn1	823315791	UCWDWWDAOAYJSO-KCPLEYNQSA-N	322.368	1.757	50	20	DDGD	
CN(C(=O)c1ccc(B(O)O)c(F)c1)[C@@H]1CCC[C@H]1C(C)(C)C	585001464	XRIHXLAQCHXRBS-IUODEOHRSA-N	321.201	1.792	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@H]2CCCCC23OCCO3)cn1	491050241	PIYVCDZTOGNCBJ-CZAWJFPGSA-N	316.361	1.129	50	20	DDGD	
OB(O)c1ccc(-c2noc([C@@H]3CC[C@@H]4[C@H](C3)C4(F)F)n2)cc1	585051898	OGTJUKYEBWMGQR-JLLWLGSASA-N	320.104	1.565	50	20	DDGD	
CC1=NO[C@](C)(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)C1	901373529	KCJURYCENWHMNF-BMIGLBTASA-N	323.324	1.295	50	20	DDGD	
COc1ccc(NNC(=O)CN2CSCCSC2)nc1	824749955	GFUKUUSGJNOMHY-UHFFFAOYSA-N	314.436	1.230	50	20	DDGD	
CCOc1ccc(C=NNC(=O)c2cnn(C)c2)cc1OC	735412270	UMCLSJOFLQMNOF-UHFFFAOYSA-N	302.334	1.591	50	20	DDGD	
O=C(Cc1ccsc1)NNC(=O)c1ccc(C(=O)O)cc1	739348680	CCHJGJRVVHHDNA-UHFFFAOYSA-N	304.327	1.450	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc2c(nc1O)CCCCC2	737819294	TVYIYHGJKOFGGZ-UHFFFAOYSA-N	306.366	1.410	50	20	DDGD	
CC(C)[C@H]1CC[C@H](C)CCN1C(=O)c1ccc(B(O)O)c(F)c1	584947862	DEAFIWSBNRWEFF-BLLLJJGKSA-N	321.201	1.792	50	20	DDGD	
OB(O)c1ccc(CNCC2(c3ccc(F)cc3F)CC2)o1	585031451	FXOMHNVODFEVMB-UHFFFAOYSA-N	307.105	1.059	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1ncc(Cl)s1	495795713	QBIGSMIIQAWQGV-UHFFFAOYSA-N	318.786	1.771	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)OC[C@H]2CN(C)C(=O)O2)c1	495729990	NFURTXYNTWVIQK-NFEOESJKSA-N	316.313	1.596	50	20	DDGD	
Cc1ccc(F)c(C=NNC(=O)CNC(=O)c2ccco2)c1	734981097	YUYHRFXIMRMYAR-UHFFFAOYSA-N	303.293	1.607	50	20	DDGD	
O=C(NC[C@H]1CCC[C@H]1C1CC1)c1cc(B(O)O)ccc1F	585001875	GKVIWKULEUZGCS-YPMHNXCESA-N	305.158	1.062	50	20	DDGD	
O=C(NCC(F)(F)F)NN=Cc1cnn(CC2CCC2)c1	901170803	RIJLWTAKXGLQQM-UHFFFAOYSA-N	303.288	1.879	50	20	DDGD	
Cc1nc2ccc(NC(=O)NNC(=O)[C@@H]3CCO[C@H]3C)cc2o1	831184332	NTXPISSKTLVYFA-GZMMTYOYSA-N	318.333	1.714	50	20	DDGD	
COC(=O)c1cc(/C=C(/C#N)S(=O)(=O)N(C)C)cs1	901500118	BFDSETNXLOOGKA-WTKPLQERSA-N	300.361	1.291	50	20	DDGD	
Cn1cc(-c2ccc(C(=O)NNC(=O)[C@@H]3CCCCO3)o2)cn1	833236651	UJMNRMLOVMPGKA-LBPRGKRZSA-N	318.333	1.010	50	20	DDGD	
CC(=O)N[C@@H](CCC(C)C)C(=O)NNc1cccc([N+](=O)[O-])c1	830762702	VPCYVIUOEIPGTG-AWEZNQCLSA-N	322.365	1.979	50	20	DDGD	
C[C@@H](C[C@H]1CCCO1)c1nc(-c2ccc(B(O)O)cc2)no1	585051460	HLWNUCGGZYDXEL-GXFFZTMASA-N	302.139	1.089	50	20	DDGD	
COc1cc(C)cc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1C	831742170	VPLJSRQNASVFLZ-NWDGAFQWSA-N	321.377	1.890	50	20	DDGD	
Cc1cc(C(=O)NNc2cccnn2)cc(C)c1OCC(=O)O	832864446	GEUXWEHRMHPPBK-UHFFFAOYSA-N	316.317	1.314	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NN=C2CCNC(=O)CC2)c1	834922580	ITQMCTGBWWTNBA-UHFFFAOYSA-N	303.362	1.455	50	20	DDGD	
C[C@H]1CC(=NNC(=O)Cc2cc(O)nc(S)n2)C[C@@H](C)O1	834937455	OCBRFIITSOXQOS-OCAPTIKFSA-N	310.379	1.073	50	20	DDGD	
CC(C)N(CC(=O)N1CCCCCC1)S(=O)(=O)CCl	831521767	MVBFKQHCFPLRNH-UHFFFAOYSA-N	310.847	1.626	50	20	DDGD	
OB(O)c1ccc(CN[C@@H](c2ccccc2)[C@H]2CCCO2)cc1	585019356	KSKVJTSHMKRAAD-MSOLQXFVSA-N	311.190	1.376	50	20	DDGD	
CN(C)[C@@H](CNS(=O)(=O)CCl)c1c(F)cccc1F	830529454	JGUJYNANZLCUSH-JTQLQIEISA-N	312.769	1.683	50	20	DDGD	
C[C@H]1CC[C@@H](C)CC1=NNC(=O)CNC(=O)c1cccnc1	834962823	WRBLSHDBWHKUKZ-NEPJUHHUSA-N	302.378	1.740	50	20	DDGD	
O=C(NNc1ncncc1F)C1CN(C(=O)C2CCCCC2)C1	836790590	QVLYOGZNWAKOCZ-UHFFFAOYSA-N	321.356	1.098	50	20	DDGD	
CC[C@H](CC(C)C)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	839225803	PSAZKWQSTGWWTL-CHWSQXEVSA-N	304.456	1.551	50	20	DDGD	
C[C@@H]1[C@@H](NCc2ccc(B(O)O)cc2F)C[C@H]1c1ccccc1	585028893	SHVYCXPURPKYBU-XZOAIXRZSA-N	313.181	1.787	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@](C)(O)c1cccc(C(F)(F)F)c1	910165423	INJBCAADWQLZSQ-ZANVPECISA-N	320.311	1.257	50	20	DDGD	
CC[C@H](COCC(F)(F)F)NC(=O)NNC(=O)CC(C)C	836531159	JXXRCEOAHIJURO-SECBINFHSA-N	313.320	1.720	50	20	DDGD	
C[C@@H](CSCc1ccccc1)C(=O)NNC(=O)c1ncon1	832826430	ZTEZZQDZNIXUEJ-JTQLQIEISA-N	320.374	1.400	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@](C)(O)C2CCC2)c1F	837060356	BGGWXDGCPIOIEC-OAHLLOKOSA-N	310.325	1.607	50	20	DDGD	
CO[C@](C)(C(=O)NNc1ccnc(F)c1)C(=O)OC(C)(C)C	831917727	KGJQCXXJIKQKDI-CQSZACIVSA-N	313.329	1.411	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc(F)cc2nccnc12	918690443	USLUOSGBWSJLSY-UHFFFAOYSA-N	321.381	1.676	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NN(C)C[C@H](C)O	910145129	QDEMOPYIXIRZAG-NWDGAFQWSA-N	317.430	1.366	50	20	DDGD	
CC(=O)Nc1ccsc1C=NNC(=O)Cc1ccncc1	747642573	WBOYOHLJMKEYGA-UHFFFAOYSA-N	302.359	1.794	50	20	DDGD	
COc1cc(Cl)c(Cl)cc1C(=O)NN(C)C[C@@H](C)O	910162640	HTJOAAMIIAIWOO-SSDOTTSWSA-N	307.177	1.959	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)NCCc1cccs1	749923839	OJSYFTIBTMYCEL-UHFFFAOYSA-N	304.375	1.638	50	20	DDGD	
CO[C@H](C=NNC(=O)c1c[nH]c2ccccc12)[C@@H]1CCOC1	841603748	FAAIYAKFNMKJEL-IAQYHMDHSA-N	301.346	1.935	50	20	DDGD	
Cc1c(NNC(=O)c2ccc3nnnn3c2)cccc1[N+](=O)[O-]	748682478	DEFSATGJXLOLQZ-UHFFFAOYSA-N	313.277	1.098	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNc1ncc(Br)cn1	848322378	YZFPSNDVWHRELW-JTQLQIEISA-N	301.144	1.009	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C(C)(C)c1ccc(F)cc1	843650083	ZNBCALRUFNZMAX-GWCFXTLKSA-N	308.353	1.676	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC	843981463	FAEBLHUGYUIERS-SZGZABIGSA-N	313.357	1.130	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1cccc(C(=O)OC)c1OC	844267489	DDXJGPXASZAIPN-MDZDMXLPSA-N	304.302	1.864	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCCO2)NNC(=O)CC(F)(F)F	844131306	MVKALGMEPQHXBP-UHFFFAOYSA-N	316.279	1.654	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cccc(Nc2ncccn2)c1	910172281	ALBVKRJAVQBVMN-LLVKDONJSA-N	301.350	1.178	50	20	DDGD	
CCC(CC)(CO)C(=O)NNC(=O)NCCc1cccs1	847390048	AYYPZTZXBTYULR-UHFFFAOYSA-N	313.423	1.420	50	20	DDGD	
C[C@@H](CCCN)NC(=O)NNC(=O)Nc1ccc(Cl)cc1	841999998	RTYRPTBJZCWNAN-VIFPVBQESA-N	313.789	1.803	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=C1CCOC[C@H]1CN1CCCCC1	842562522	QQWAGDWQIUAOHY-RRFJBIMHSA-N	323.437	1.406	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NC[C@H]1CCCNC1=O	840331695	MSDMCDJQNAXHML-FMNNIJNLSA-N	301.321	1.375	50	20	DDGD	
O=C(O)CSCC(=O)NNc1ccc(Br)nc1	740485491	RWFLVVJGXVPWFO-UHFFFAOYSA-N	320.168	1.105	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@H](CN)CC(C)C	841954001	MOTBQOLKCOGUQZ-AWEZNQCLSA-N	306.410	1.241	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)Cc1cccc(Br)c1	910165679	MMZGDDQRZPNGGV-SECBINFHSA-N	301.184	1.335	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc2c1CCCC2	843661929	QZZVZKCNEXBWCI-YPMHNXCESA-N	302.374	1.751	50	20	DDGD	
O=C(COC(=O)[C@@H]1C[C@H]1C1CCC1)NNC(=O)c1ccccc1	845224871	QIQJJBBHSLYHQL-UONOGXRCSA-N	316.357	1.427	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cc3cc(F)ccc3[nH]2)n1	740108372	XRPYOUFVUJLQBT-UHFFFAOYSA-N	314.324	1.920	50	20	DDGD	
O=C(NNC(=S)NCC1CC1)c1cc(Br)c[nH]1	849253637	SLLHYLNEPYYANE-UHFFFAOYSA-N	317.212	1.296	50	20	DDGD	
CCOc1cccc(NC(=S)NNC(=O)NCC2CC2)c1	742992133	IWAPZWIZUOQPCO-UHFFFAOYSA-N	308.407	1.996	50	20	DDGD	
CC(C)C(=O)NNC(=O)Cn1ccnc1[C@@H](O)C1CCCCC1	849952446	YPDZAOOWCJSZBZ-AWEZNQCLSA-N	322.409	1.300	50	20	DDGD	
C=CCNC(=S)NNC(=O)C[C@@H]1CC(=O)Nc2ccccc21	929243600	VYOGSDISRXNZDH-JTQLQIEISA-N	318.402	1.184	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C2CN(C3CC3)C[C@H]2C)c1	755886835	DMZIGQLBZSSFJD-LLVKDONJSA-N	317.389	1.904	50	20	DDGD	
CC(C)C[C@H](CN)CC(=O)NNc1nc(-c2cccnc2)no1	852821832	ZOZGJDLKMCFVOI-NSHDSACASA-N	318.381	1.586	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)c2cccc(F)n2)n(C)n1	856423780	CLBLKXLQBCFAHR-UHFFFAOYSA-N	305.313	1.152	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)C[C@@H]2CCC(=O)N2)c(Cl)c1	854379936	RTJJJNCZQWAZHE-VIFPVBQESA-N	324.768	1.470	50	20	DDGD	
CCC[C@H](O)C(=O)NNC(=O)CSc1ccc(Cl)cc1	929257221	KRFHKGZKCLGDML-NSHDSACASA-N	316.810	1.741	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@H](C(=O)O)C2)C[C@H]1Br	857100553	JDWYDPJRMDEQQS-YGOYTEALSA-N	319.199	1.666	50	20	DDGD	
CSSCCNC(=O)N1CC[C@H](N2CCOC2=O)C1	852314786	LREWBMLKHJCXRB-VIFPVBQESA-N	305.425	1.234	50	20	DDGD	
C[C@H](N)CCNC(=O)NNc1ccc(C#N)cc1C(F)(F)F	857108029	LUECUIXELAUXSJ-QMMMGPOBSA-N	315.299	1.940	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cnn2cccc(Cl)c12	854682438	AXZLUERUZNPTMT-LLVKDONJSA-N	322.752	1.318	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(N(C)C(C)C)c(F)c1	755942058	VDTHIUWBLRGGIP-UHFFFAOYSA-N	312.345	1.469	50	20	DDGD	
Cc1ccccc1COCC(=O)NNC(=S)N[C@@H](C)C1CC1	857723984	APOCNSOUFVBEHI-LBPRGKRZSA-N	321.446	1.805	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)CNc1ccc(C#N)cc1)C1CC1	855103596	WMNZCVFFDHMQLV-SNVBAGLBSA-N	317.418	1.264	50	20	DDGD	
C[C@H](C(=O)NNC(=O)COc1ccccc1O)c1ccccc1	751603070	JSXGMYMOXUQMER-LBPRGKRZSA-N	314.341	1.722	50	20	DDGD	
CCC/C=C\C(=O)NNC(=O)c1cc(Br)c[nH]1	920431434	BEYXJWNCAZYVCD-PLNGDYQASA-N	300.156	1.895	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)Cc2ccncc2)ccc1Cl	754326970	SOJOQGODKXCVJU-UHFFFAOYSA-N	314.732	1.610	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNC(=S)NCC2CCC2)cn1	855091789	FIZIEPXGRMDZES-UHFFFAOYSA-N	309.439	1.547	50	20	DDGD	
O=C(NN=C1CCCc2cc(O)ccc21)C(=O)N1CCCC1	750937732	WMOCJGZAHYXGOI-UHFFFAOYSA-N	301.346	1.171	50	20	DDGD	
Cc1ncc(C=NNC(=O)[C@@H](C)CN2CCC(C)CC2)n1C	853278817	IGXYAMQXYJHPES-ZDUSSCGKSA-N	305.426	1.547	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1F	856227982	OYDQVEBFBQLDLU-NXEZZACHSA-N	302.371	1.646	50	20	DDGD	
O=C(CCCc1nc(C2CC2)no1)NNc1ncc(Cl)cn1	857356503	NJSZKONWLRTYFY-UHFFFAOYSA-N	322.756	1.856	50	20	DDGD	
COC[C@H](C)Oc1ccc(C=NNC(=O)c2cc(C)[nH]n2)cc1	853322524	UJSXLMWRHUWDTR-LBPRGKRZSA-N	316.361	1.896	50	20	DDGD	
COc1ccc(F)c(CNC(=O)NNC(=O)C2CCCC2)c1	856850802	ATEPLDVIYKMNCZ-UHFFFAOYSA-N	309.341	1.855	50	20	DDGD	
CCOC(=O)[C@@H](CC(=O)NNc1cc(F)ccc1C)C(C)=O	855370217	RGDBQWBSDKHIGH-LBPRGKRZSA-N	310.325	1.736	50	20	DDGD	
CC(C)c1cccc(CNC(=O)NNC(=O)c2cn[nH]c2)c1	858369109	DZWGFYALRLKASB-UHFFFAOYSA-N	301.350	1.677	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1nc2cccnc2s1)C1CC1	855097028	IABXQTPXQWKVLN-SSDOTTSWSA-N	321.431	1.599	50	20	DDGD	
N#CSCCCNC(=O)CC1(N2CCOCC2)CCCC1	854362757	ZMDNNBUJLHPWDL-UHFFFAOYSA-N	311.451	1.742	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNC(=O)c2ccccn2)ccn1	759677972	FTSSJPACMOFXJN-UHFFFAOYSA-N	300.318	1.339	50	20	DDGD	
C[C@@H](Cc1ccc(F)cc1)C(=O)NNC(=O)Cc1cc[nH]n1	755269499	QOFIAYMVLSZYBH-JTQLQIEISA-N	304.325	1.118	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccncc2F)cc1	769225066	IIHYMFRLUDAUBO-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1nc(C)cs1	863105397	OYSFEHAGFJLEJM-UHFFFAOYSA-N	312.395	1.816	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)ns1	767428962	QUYJLLTYCOLFEW-UHFFFAOYSA-N	314.370	1.937	50	20	DDGD	
O=C(CCCCCc1cccs1)NNC(=O)[C@@H]1CCC(=O)N1	862456283	WVNSEKVQSDMSFQ-LBPRGKRZSA-N	323.418	1.277	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)CN2CCCC2=O)[C@H](C)C1	761254227	NKOQSPUVIBKYTB-VXGBXAGGSA-N	323.393	1.080	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)ns1	768225606	SBDNCEOEZQSUDR-UHFFFAOYSA-N	319.390	1.984	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2nc(-c3cccnc3)no2)no1	765036729	ZCYSLWWQMRNERQ-UHFFFAOYSA-N	314.305	2.000	50	20	DDGD	
C[C@H]1CCC[C@@H](C=NNC(=O)CNC(=O)c2cccnc2)C1	768366388	FRHWOCYKLDWDGG-QWHCGFSZSA-N	302.378	1.740	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(OC(C)C)c(C)c1	763442350	VKCFFFMQCMUZTI-UHFFFAOYSA-N	307.350	1.278	50	20	DDGD	
Cc1cc(OCC(=O)NNC(=O)c2cn[nH]c2)ccc1C(C)C	862474044	LRMLTFASBNGNBW-UHFFFAOYSA-N	316.361	1.682	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1OC	764080998	BNCNYNYVFIFVOL-SNVBAGLBSA-N	307.350	1.136	50	20	DDGD	
CCCOc1cccc(NC(=O)C(=O)NNC(=O)C(C)C)c1	763832372	ONGQHZLJGIPNOU-UHFFFAOYSA-N	307.350	1.217	50	20	DDGD	
COC(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)ccc1C	868618798	AMGOZPMDGQYTSR-ZDUSSCGKSA-N	320.345	1.112	50	20	DDGD	
O=C(CS(=O)(=O)C1CC1)NNc1ccc(F)c(Cl)c1	863082669	QECDYLIJFAWYEY-UHFFFAOYSA-N	306.746	1.499	50	20	DDGD	
CC[C@@H](Nc1ccccc1)C(=O)NNC(=O)c1cc(C)[nH]n1	768275959	GFBZRHYXDREJML-GFCCVEGCSA-N	301.350	1.370	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1(c2cccc(C#N)c2)CC1	1118274337	DXEXYTFKOHIIJP-FZMZJTMJSA-N	313.357	1.162	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)[C@H](F)c3ccccc3)nc21	769575275	CTJLBJMFVGJONA-SNVBAGLBSA-N	316.296	1.223	50	20	DDGD	
COCCN(C)NC(=O)Nc1cnc(Br)c(C)c1	879149188	IVHYKOSSWOVVBS-UHFFFAOYSA-N	317.187	1.767	50	20	DDGD	
O=C(Cn1nnc(-c2ccccc2)n1)NN=C1CCC[C@H]1F	872326854	AWLPRCQJGVCRJP-LLVKDONJSA-N	302.313	1.334	50	20	DDGD	
CN1C(=O)C[C@H](C(=O)NCCCSC#N)c2ccccc21	1118700793	SJTYDEOFBYTKSH-LBPRGKRZSA-N	303.387	1.857	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)C1(Br)CC1	874452212	JHFRNUBZMNKVCT-UHFFFAOYSA-N	324.138	1.502	50	20	DDGD	
C#CCCCCCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	779746773	GNOIWTFVOSKZCK-CYBMUJFWSA-N	300.424	1.062	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1cccc(NC(C)=O)c1	872402157	DNZXTIICLDBYRV-UHFFFAOYSA-N	307.350	1.148	50	20	DDGD	
CN1CCc2cc(C(=O)NNc3ncnc4[nH]cnc34)ccc21	779380339	QYAUCUWDHBSQRV-UHFFFAOYSA-N	309.333	1.102	50	20	DDGD	
CC[C@@](C)(NCC(=O)NNC(=O)C1CC1)c1ccc(F)cc1	879128129	JSCPOHWRTRFHMT-MRXNPFEDSA-N	307.369	1.598	50	20	DDGD	
C[C@H]1CN(C2CC2)CC1=NNC(=O)c1ccc(C(=O)O)cc1	872410877	QEPSEWNSOCKMJH-JTQLQIEISA-N	301.346	1.585	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccccc1C(F)(F)F	872403276	UYARUVLABVVSCO-UHFFFAOYSA-N	304.268	1.819	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1ccccc1O	777904989	UYWCPDKSBHTLRN-UHFFFAOYSA-N	307.350	1.757	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)C2CC(=O)C2)cc1	874952880	KSJJDJQBSWQCKS-UHFFFAOYSA-N	306.391	1.049	50	20	DDGD	
CC(C)Oc1cccc([C@@H](C)NCC(=O)NNC(=O)C2CC2)c1	774992215	PTYSEOQUAJDXNB-GFCCVEGCSA-N	319.405	1.682	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1CC(=O)NNC(=S)Nc1ccccn1	874956546	HJMGBDBYUXZHQT-PHIMTYICSA-N	307.423	1.272	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)COCCCC)c1	874949973	KOQUMGJNVCNVCM-UHFFFAOYSA-N	305.403	1.802	50	20	DDGD	
Cc1nnc([C@H](C)NC(=O)NC[C@]2(C)C[C@@H]2Br)o1	1123661209	DFMNXKFXFRTQPM-RASWFIQWSA-N	317.187	1.912	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CN2CCC[C@@H](CF)C2)c1	880234258	DUJWPGYEPMNFDH-ZDUSSCGKSA-N	318.352	1.001	50	20	DDGD	
Cc1cccc([N+](=O)[O-])c1C(=O)NNc1nc2ccccn2n1	772649281	NIQILFDBBQMRAE-UHFFFAOYSA-N	312.289	1.703	50	20	DDGD	
CCc1ccc([C@H](C)C(=O)NNC(=O)C2CCOCC2)cc1	883062509	GODSGKDUSVMJSU-LBPRGKRZSA-N	304.390	1.927	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CCc1ccccc1F	771904989	QYHWDWHXPRBMCX-JTQLQIEISA-N	310.325	1.247	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(F)c2cccnc12	1120750862	QWDUFTWMZKHHRB-UWVGGRQHSA-N	317.320	1.560	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCCCl)[C@H](O)c1cccc(F)c1	881965179	ULHWKIKGEGLFKP-SKDRFNHKSA-N	309.790	1.796	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CO1	784114377	WLLOGSYEXPYXRX-NWDGAFQWSA-N	314.345	1.058	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CO[C@H](C)C2)c2ccccc2n1	784147580	YJPGIUCKFFJIOC-NEPJUHHUSA-N	313.357	1.729	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)NC[C@H](C)C#N)cc1OC	781945918	XNLWJHHTUIUKRU-SNVBAGLBSA-N	320.349	1.198	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)c3cccn32)o1	788757823	IZFSBIMYDBKRDM-NSHDSACASA-N	301.302	1.368	50	20	DDGD	
C[C@H]1C[C@H](C)CCC1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	783833248	VCISUEIKGQYYFD-OUAUKWLOSA-N	301.412	1.285	50	20	DDGD	
COCC(=O)N1CCN(CCO[Si](C)(C)C(C)(C)C)CC1	788011019	CHZARGZFCOWGII-UHFFFAOYSA-N	316.518	1.799	50	20	DDGD	
O=S(=O)(CCCCl)N(CCO)[C@H]1CCc2ccccc21	881922110	JCPOCRVMTZVYFC-AWEZNQCLSA-N	317.838	1.927	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cnn(C)c2C(F)F)c1	780791902	QXDCJNLVLYFVRJ-UHFFFAOYSA-N	324.287	1.901	50	20	DDGD	
NC(=O)c1ccc(NC(=O)NNc2ncncc2Cl)c(F)c1	782049114	OGXAGJRTROZAIY-UHFFFAOYSA-N	324.703	1.517	50	20	DDGD	
C[C@@](O)(CC(=O)NNC(=O)c1cccc(C#N)c1)c1ccccc1	780931398	YQLMNIDNIBGETN-GOSISDBHSA-N	323.352	1.617	50	20	DDGD	
O=C(/C=C\c1ccc(Cl)nc1)NNC(=O)C1CCOCC1	894103486	JWJZVHZUMIULGZ-RQOWECAXSA-N	309.753	1.322	50	20	DDGD	
C[C@@H]1CCc2[nH]nc(C(=O)NNc3nccnc3Cl)c2C1	896385825	LPMMNZHRULMPGQ-SSDOTTSWSA-N	306.757	1.735	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)/C=C\c2ccccc2C#N)n1	794077936	SUBJLQRKEZNGMZ-KTKRTIGZSA-N	306.325	1.736	50	20	DDGD	
C[S@](=O)C1(CNS(=O)(=O)CCCCCl)CCC1	393746162	PWKBTZLCXKJDQB-INIZCTEOSA-N	301.861	1.226	50	20	DDGD	
CO[C@]1(C)CCCN(CC(=O)NNC(=O)c2cccc(C)c2)C1	791554780	DJIWNXVYTQWTHJ-QGZVFWFLSA-N	319.405	1.257	50	20	DDGD	
CC(=O)c1cc(C(=O)NNc2nc3ccccn3n2)c(C)nc1C	791249800	WRUPDWBXPFGZEL-UHFFFAOYSA-N	324.344	1.701	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)COc1ccccc1OC	792797444	MWLGQYUTPQCZKP-ABAIWWIYSA-N	324.377	1.283	50	20	DDGD	
COc1cc(C)cc(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	1325975343	JLRRBYCDDDIENB-SMDDNHRTSA-N	321.377	1.259	50	20	DDGD	
COCc1cccc(CC(=O)NNc2nncc(N)c2Cl)c1	1320470995	ALTPLBWQTZFWOI-UHFFFAOYSA-N	321.768	1.544	50	20	DDGD	
CCc1onc(C)c1NC(=O)C(=O)NNc1ccc(Cl)nn1	1337662200	QQOVACPOSBHKAH-UHFFFAOYSA-N	324.728	1.071	50	20	DDGD	
Nc1cnnc(NNC(=O)Cc2noc3ccccc23)c1Cl	1333507350	IMVLZDLBKLDCQQ-UHFFFAOYSA-N	318.724	1.539	50	20	DDGD	
N#C/C(=C/c1cnc(Cl)c(C#N)c1)S(=O)(=O)NC1CC1	1346126360	KCJFYGWDGGTGDB-WCIBSUBMSA-N	308.750	1.553	50	20	DDGD	
CCN(CC)CC[C@H](C)NC(=O)NNC(=O)Cc1ccncc1	1342708469	SMMLCRVKDXKNRP-ZDUSSCGKSA-N	321.425	1.075	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ccc3oc(O)nc3c2)c1Cl	1347483636	GILMBPGWJWOFRG-UHFFFAOYSA-N	320.696	1.316	50	20	DDGD	
CNc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccnc(F)c1	1342048936	HQGZLCQOJQJNHZ-UHFFFAOYSA-N	305.269	1.928	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]1F)c1ccc(F)cc1Br	1345642605	LVJSHQFAYMVVPX-IONNQARKSA-N	319.105	1.707	50	20	DDGD	
Cn1c(S)nnc1CCNC(=O)C1CCC(Cl)CC1	1351153028	OFNCXGKABXZILI-UHFFFAOYSA-N	302.831	1.560	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@@H]2CC[C@H]3CCCCN23)ccc1F	1602286742	OCUQRODPNGPHFC-RISCZKNCSA-N	321.352	1.984	50	20	DDGD	
C[C@H]1CC[C@@](NS(=O)(=O)CBr)(C(=O)O)CC1	1607464783	HGCJABRSXDIJRH-XWEPSHTISA-N	314.201	1.292	50	20	DDGD	
Cc1c(NNC(=O)N[C@H]2CCN(C3CC3)C2)cccc1C(=O)O	1607553332	QKWZIZXLAALMFB-NSHDSACASA-N	318.377	1.556	50	20	DDGD	
C[C@@H](CC(=O)O)CC(=O)NNc1ccc(S(C)(=O)=O)cc1	1609733206	FQNBWWUQYQVOLG-SECBINFHSA-N	314.363	1.034	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN[C@@H](C(=O)O)c1ccccc1Cl	1604833273	BUWQJPJYZYQLFG-HOTUBEGUSA-N	312.753	1.512	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NC[C@@H](CC1CC1)C(=O)O	1601045770	JEXXDETZBZXRKW-SVSAJMPUSA-N	314.341	1.916	50	20	DDGD	
Cc1ccnc(NNC(=O)c2ccc(-c3nn[nH]n3)c(O)c2)c1	1605959378	WJPOITYDYOTXQY-UHFFFAOYSA-N	311.305	1.033	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)ccc1C(=O)O	1600185636	SRDUVDJWWMMDCW-MRVWCRGKSA-N	302.330	1.711	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCc1cc(-c2nn[nH]n2)ccc1F	1609492491	HUVIYXLTZIESKW-VZUCSPMQSA-N	313.292	1.909	50	20	DDGD	
C[C@H](CC(=O)NNc1ccc(CC(=O)O)cc1)[C@H]1CCCO1	1604068388	PPKJTZBFNBZICM-BXUZGUMPSA-N	306.362	1.962	50	20	DDGD	
O=C1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](F)Cl)C3)C1	1804157680	YFRBCMOUKLSFIL-DTHBNOIPSA-N	316.760	1.138	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cc3c([nH]2)CCOC3)c(F)c1	1610836036	UENICQICOIERPJ-UHFFFAOYSA-N	319.292	1.682	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)NN=Cc1ccns1	1549313868	GAYILNBMKLZFOE-WCQYABFASA-N	319.390	1.495	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2c[nH]nc2-c2ccoc2)nc1	1610835816	WZJASROZMQVVKA-UHFFFAOYSA-N	313.273	1.520	50	20	DDGD	
C[C@H](NC(=O)NNc1nc2cccnc2s1)[C@@H]1CCCNC1	1576211983	BCLOAEAFNUQAKL-VHSXEESVSA-N	320.422	1.706	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H]2C[C@H](C)CCN2)c1	1574767052	ZBAOQLSWORVQJN-BXUZGUMPSA-N	316.430	1.374	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NC[C@H]2C[C@H]2C(=O)O)nn1	1590494189	WKJXHLPIXFLHFL-RKDXNWHRSA-N	307.354	1.121	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cc(F)c(C(=O)O)c(F)c1	1591111242	HGHBNJRFVRBXTE-UHFFFAOYSA-N	315.276	1.862	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cc(C(=O)O)co2)cc1	1597501193	YMWIDPLFVFZDSQ-UHFFFAOYSA-N	302.286	1.615	50	20	DDGD	
C[C@@H](NNC(=O)C12CCC(C(=O)O)(CC1)CC2)C(F)(F)F	1593320272	WTRXJWWZLYCOTF-HUUUCTMMSA-N	308.300	1.983	50	20	DDGD	
C[C@@H]1CCC[C@H]1CNC(=O)NNc1cccc(-c2nn[nH]n2)c1	1590249467	QNAAHOWSFYFPPA-PWSUYJOCSA-N	315.381	1.929	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1ccc(/C=C/C(=O)O)o1	1776903982	YTLBGYBCYWBNCE-AOQSKOSGSA-N	318.329	1.827	50	20	DDGD	
C#CCCCC(=O)NN=Cc1c(C(=O)O)ccc2c1OCO2	1776104891	FEMCWGDGUPNZQG-UHFFFAOYSA-N	302.286	1.367	50	20	DDGD	
COCCCS(=O)(=O)/C(C#N)=C\c1cccc(C(=O)O)c1	1777206965	GZTPUFFNRXIOIY-LCYFTJDESA-N	309.343	1.701	50	20	DDGD	
Cc1nnc(NNC(=O)c2ccc(C(F)(F)F)cc2)[nH]c1=O	11335114	LTSPBNNLARFMAL-UHFFFAOYSA-N	313.239	1.249	50	20	DDGD	
O=C(CN1CCCCCC1)NNC(=O)c1ccc([N+](=O)[O-])cc1	16442700	CMWDMORMEAPUGH-UHFFFAOYSA-N	320.349	1.232	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCCCO1	161280806	CYIHYFXVXPVQAK-GWCFXTLKSA-N	310.325	1.310	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1ncccc1Cl	162259625	FVYYEKCRQZIEFU-UHFFFAOYSA-N	300.746	1.704	50	20	DDGD	
CN(C)CCN1C[C@H](C(=O)NNc2ccccc2Cl)CC1=O	158269588	UMGSXOUMZFLXRO-LLVKDONJSA-N	324.812	1.193	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	158881980	CBNJVDFECRZUTM-CYBMUJFWSA-N	322.405	1.891	50	20	DDGD	
CCn1c(NNC(=O)CCCCCN)nc2ccccc2c1=O	154282738	MSUZFZCGZVHNRC-UHFFFAOYSA-N	317.393	1.379	50	20	DDGD	
O=C(CCn1cc([N+](=O)[O-])cn1)NNc1ccncc1Cl	154758148	DLQHEZVJJJWFER-UHFFFAOYSA-N	310.701	1.373	50	20	DDGD	
O=C(CCc1nnc(C2CCCC2)o1)NNC(=O)c1ccc[nH]1	159201373	OMGQAGBQCJNTCH-UHFFFAOYSA-N	317.349	1.449	50	20	DDGD	
O=S(=O)(CBr)N1CCc2ccccc2CC1	127481600	AIYGVKWCMIMZBB-UHFFFAOYSA-N	304.209	1.769	50	20	DDGD	
Cc1nnsc1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	7960559	KHYOLAXEWPEUCP-MRVPVSSYSA-N	324.337	1.214	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNC(=O)c2c[nH]nc2C)s1	109858518	LGSQJLOOMGHYPP-UHFFFAOYSA-N	320.374	1.512	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H](C(C)C)N(C)C)cc1C	106453456	ANJPZOHGVBOMTQ-INIZCTEOSA-N	321.421	1.416	50	20	DDGD	
NC(=O)[C@@H](NNC(=O)COc1ccc(F)cc1)c1ccccc1	26222766	CXYROKNHLLFXIC-HNNXBMFYSA-N	317.320	1.052	50	20	DDGD	
O=C(C[C@@H]1CCCO1)NNC(=O)Cn1ccc2ccccc21	170899583	JWGNVCZYOPHYQE-ZDUSSCGKSA-N	301.346	1.358	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cccc([N+](=O)[O-])c2N)n1	175871638	VCWUWVZSMQCVOP-UHFFFAOYSA-N	302.294	1.341	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc[nH]2)C12CCC2	175657798	IQJTVVBVHUJERZ-VXGBXAGGSA-N	306.366	1.306	50	20	DDGD	
CC[C@H](C(=O)NNc1cc(F)c(F)cc1F)N1CCCC1=O	173620223	XXVKIDSMYXOXPZ-GFCCVEGCSA-N	315.295	1.948	50	20	DDGD	
CCn1c(NNC(=O)CN(C)C(C)C)nc2ccccc2c1=O	63465686	IPADZOLDXMUZOH-UHFFFAOYSA-N	317.393	1.200	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCc2ccc3ccccc3c2)cn1	117679953	KHZSZVFVQTUXCQ-UHFFFAOYSA-N	322.368	1.967	50	20	DDGD	
CCn1cc(C(=O)C(=O)NNc2cc(F)c(F)c(F)c2)cn1	179493596	DVKWWCRTILRGFO-UHFFFAOYSA-N	312.251	1.646	50	20	DDGD	
Cc1ccc2cccc(C(=O)NNC(=O)Cc3ccncc3)c2n1	175788337	PVPJPDPKRZAXHV-UHFFFAOYSA-N	320.352	1.942	50	20	DDGD	
COCCCNC(=O)NNC(=O)C1C2CC3CC(C2)CC1C3	65206101	DXMKSMVCEQNUJU-UHFFFAOYSA-N	309.410	1.426	50	20	DDGD	
O=C(CCCn1ccnc1)NNc1nc(-c2ccncc2)no1	110682367	SKFMQASOVHBTOT-UHFFFAOYSA-N	313.321	1.252	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1nc2c(s1)CN(CC)CC2	28804545	ZAICTESGVQXOHO-CSKARUKUSA-N	306.391	1.904	50	20	DDGD	
C[C@H]1CCN(CC(=O)NNC(=O)c2ccccc2Cl)[C@@H]1C	177870114	HOPQMOZHUSJUAB-WDEREUQCSA-N	309.797	1.831	50	20	DDGD	
O=C(COc1cccc(Cl)c1)NNC(=O)NC1CCCC1	65918740	QNTRUQMFFCMINR-UHFFFAOYSA-N	311.769	1.992	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1cccc2cccnc12	64427376	UPMFZFOPTYMRDD-UHFFFAOYSA-N	300.362	1.908	50	20	DDGD	
COCCn1cc(C(=O)NNC(=O)NC2CC2)c2ccccc21	64900223	DHDPKEBVLRYRNQ-UHFFFAOYSA-N	316.361	1.394	50	20	DDGD	
CCC[C@@H](CC)NC(=O)NNC(=O)Cc1cn2ccccc2n1	175400103	CGJOWUSKVMJNBY-GFCCVEGCSA-N	317.393	1.786	50	20	DDGD	
CC[C@@H](CC(=O)NNC(=O)c1cnn(C)c1)c1ccccc1	117682957	ZGTIZCMANNHIRT-LBPRGKRZSA-N	300.362	1.765	50	20	DDGD	
CN(C)[C@@H](C(=O)NNc1ncnc2nc[nH]c12)c1ccccc1	173944420	YLCZYGZGXZVEMW-GFCCVEGCSA-N	311.349	1.099	50	20	DDGD	
O=C(CNc1ccccc1[N+](=O)[O-])NNC(=O)NC1CCCC1	65919066	XDNSOSICXGSUJD-UHFFFAOYSA-N	321.337	1.280	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)[C@H]1CCCCO1	127215374	PGCQRGXLWBYNPE-CQSZACIVSA-N	301.346	1.358	50	20	DDGD	
CNC(=O)NNS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1	125573132	GGULUXIPJKHEON-UHFFFAOYSA-N	311.285	1.136	50	20	DDGD	
CCOCc1ccccc1CNS(=O)(=O)CBr	126691337	UIUWSHRQXIHKRU-UHFFFAOYSA-N	322.224	1.995	50	20	DDGD	
C[C@H](O)[C@H](C)SCC(=O)NNC(=O)c1ccc(Cl)cc1	79060147	OJAHSJCWLJRKPD-IUCAKERBSA-N	316.810	1.604	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O	184543551	JBGXUKXOVOENIK-ZCFIWIBFSA-N	320.271	1.593	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H](C)NC(=O)CC(C)(C)C)n1	187790787	CUEMUJCHQQJZJM-LLVKDONJSA-N	307.398	1.477	50	20	DDGD	
CSCC[C@@H](C)NC(=O)NNC(=O)Cc1ccccc1F	133693967	SXNFQDXQPRGIBH-SNVBAGLBSA-N	313.398	1.840	50	20	DDGD	
COC(=O)[C@@H](O)C1CCN(C[C@@H](C)CBr)CC1	134037692	FROLZHJTOTUCQA-ONGXEEELSA-N	308.216	1.263	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C[C@H]2CCCO2)c2ccccc21	47063498	DVKLQVNLBXEISK-LLVKDONJSA-N	301.346	1.508	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)c1cccc(O)c1O	193014697	QSZYPCFFIUPSSC-UHFFFAOYSA-N	314.341	1.882	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2Cc3cc(F)ccc3O2)o1	84373581	KEBVKXQJJNEUHG-CYBMUJFWSA-N	304.277	1.492	50	20	DDGD	
Cn1nc(C(=O)NNc2ncc(Cl)cc2Cl)ccc1=O	132426646	IPEYKTAAPPOFHC-UHFFFAOYSA-N	314.132	1.239	50	20	DDGD	
CO[C@@H](C)CC(=O)NNC(=O)c1cc(-c2ccccc2)on1	195430586	UQZFBYVJAFGITB-JTQLQIEISA-N	303.318	1.528	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C	131940408	MWCOGAPCKJPQOA-LLVKDONJSA-N	312.414	1.152	50	20	DDGD	
O=C(NNC(=O)C1CCN(C2CC2)CC1)NC1CCCCC1	193907845	MYGBMDMPRZMGKS-UHFFFAOYSA-N	308.426	1.524	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C\c1ccc(N(C)CCOC)nc1	190233093	NKFTXPRGCZOSOL-PTNGSMBKSA-N	316.405	1.987	50	20	DDGD	
Cc1c(C(=O)NNc2ncccn2)cc([N+](=O)[O-])cc1[N+](=O)[O-]	45075436	JJMXETPNWLSKQK-UHFFFAOYSA-N	318.249	1.358	50	20	DDGD	
CCCNC(=O)NNC(=O)CSc1ccc(F)c(F)c1	49279643	NZCVZMJLXHDXQQ-UHFFFAOYSA-N	303.334	1.797	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccn(CC(F)F)n1	193670562	VFKOHTHNVBWJOU-UHFFFAOYSA-N	311.248	1.813	50	20	DDGD	
CSc1ncc(Cl)c(C(=O)NNC(=O)C(C)(C)C)n1	193653817	OWOCFPOMCIUNGP-UHFFFAOYSA-N	302.787	1.659	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cc(C#N)cs2)cc1	84383025	UOEWHUQVORQDOT-UHFFFAOYSA-N	314.370	1.801	50	20	DDGD	
CC(C)c1cccc(O[C@@H](C)C(=O)NNC(=O)C(C)(C)O)c1	190050733	YLSPBJTWMAQMIE-NSHDSACASA-N	308.378	1.496	50	20	DDGD	
CC[C@H](C)[C@H](C)NC(=O)NNC(=O)COc1ccc(F)cc1	98120781	QSBKHOMMNFJZNE-QWRGUYRKSA-N	311.357	1.970	50	20	DDGD	
C#CCN1CCC(C(=O)NNC(=O)c2ccc(C)s2)CC1	143750290	QULPFYPPDPPUJW-UHFFFAOYSA-N	305.403	1.163	50	20	DDGD	
C[C@H]1CCCN(C(C)(C)CNC(=O)NNC(=O)c2ccc[nH]2)C1	97257246	FNWHPCWOOJNQPW-LBPRGKRZSA-N	321.425	1.469	50	20	DDGD	
CC(C)Oc1ccc(S(=O)(=O)NNC(=O)c2ccc[nH]2)cc1	91012574	NTMACMJZAFFSEG-UHFFFAOYSA-N	323.374	1.425	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2	246131327	OZMRINLIFQCZIE-RAIGVLPGSA-N	309.410	1.711	50	20	DDGD	
O=C(CSC[C@H]1CCCCO1)NNC(=O)Cc1cccnc1	264038756	QLQMBEXMWNRAFR-CYBMUJFWSA-N	323.418	1.074	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccnc(N3CCCC3)n2)cc1	269587481	OAEYKJCVDCYTOY-UHFFFAOYSA-N	308.345	1.705	50	20	DDGD	
CC[C@H](C(=O)NNc1nc(-c2cccnc2)no1)N(CC)CC	266855111	RZILECHTQRKKHY-GFCCVEGCSA-N	318.381	1.695	50	20	DDGD	
Cc1ccc(O[C@H](C)CNC(=O)NNC(=O)C2CCC2)cc1	266650631	ZQBNNMIBVCDYKQ-GFCCVEGCSA-N	305.378	1.893	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@H](CCO)CC(C)C)n1	267996359	LRUAICIHKOIOBR-NSHDSACASA-N	311.386	1.156	50	20	DDGD	
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1cccnn1	265544169	OJSUYDJIVKNKLL-LLVKDONJSA-N	309.370	1.469	50	20	DDGD	
COc1ccnc(NNC(=O)C[C@@H](C)NC(=O)C2CCCC2)n1	263913383	NJNSTASUQVDXEP-SNVBAGLBSA-N	321.381	1.013	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCC[C@@H](C)CO	270548005	QZZBDDXNIAEWFR-LLVKDONJSA-N	309.366	1.048	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)CC[C@@H]2CCCO2)c1	272044143	RQVMVBKQJQAKRN-LBPRGKRZSA-N	312.391	1.492	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2CCN(C3CC3)CC2)nc1	279870810	NBFKYQPZWMVWSM-UHFFFAOYSA-N	318.377	1.186	50	20	DDGD	
CO[C@H]1CCC[C@H](CC(=O)NNC(=O)c2ccc(C#N)cc2)C1	279814573	OYNSBMDTAGENBA-ZFWWWQNUSA-N	315.373	1.915	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](C)[C@@H]2CCCCO2)s1	272012346	WELZIVLNKCPXLO-QWRGUYRKSA-N	311.407	1.958	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)[C@@H]1CCCN1C1CC1	278716192	QGJXLUXINWAYIP-INIZCTEOSA-N	315.417	1.784	50	20	DDGD	
CCCc1nc(C(=O)NNC(=O)c2ccccc2OC)co1	273606438	MPPXONCZLXSGKO-UHFFFAOYSA-N	303.318	1.711	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cc(C)n(CCC#N)n2)o1	273495119	XQOBSYSVZLOVEA-UHFFFAOYSA-N	316.321	1.473	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc2cn[nH]c2cc1C	276883002	BBIAVCKXWBTGMV-MRVPVSSYSA-N	317.349	1.003	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)nc1	275607090	QGHPRKTYINFPSL-BMIGLBTASA-N	315.329	1.762	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H](C)OC[C@H]2CCCCO2)n1	279818310	PCFVOHCMNIOGOJ-QWHCGFSZSA-N	321.377	1.125	50	20	DDGD	
CC(C)(CCCO)CNC(=O)NNC(=O)c1ccccc1F	271855135	WMRQJFPYHQVHDC-UHFFFAOYSA-N	311.357	1.568	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@H](C)NC(=O)OC)c1ccccc1	270483462	QVOHJGFKVDPXAO-CMPLNLGQSA-N	307.350	1.072	50	20	DDGD	
COc1c(C)ccc(NC(=O)C(=O)NNC(=O)C2CCC2)c1C	274050910	GZYOXHZVJUIMID-UHFFFAOYSA-N	319.361	1.198	50	20	DDGD	
Cc1ccncc1/C=C/C(=O)NNC(=O)NCC(F)(F)F	281364040	WJJCZPYJSZFJRB-NSCUHMNNSA-N	302.256	1.296	50	20	DDGD	
COCCN(C)NC(=O)c1c(C)nn(-c2ccc(F)cc2)c1C	288463653	QHAFIFFDEDKADY-UHFFFAOYSA-N	320.368	1.851	50	20	DDGD	
Cc1cc(=O)cc(C)n1CCCC(=O)NNC(=O)CC(C)C	289307926	CJDDNNOEYCMUDY-UHFFFAOYSA-N	307.394	1.439	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1Cc2ccccc2C(=O)O1	280417068	YTENRVIREBUJIH-NSHDSACASA-N	306.318	1.324	50	20	DDGD	
N#Cc1ccccc1/C=C/C(=O)NNC(=O)N=c1cc[nH]cc1	802033505	ALVOKPVZQFWFPW-AATRIKPKSA-N	307.313	1.241	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)Nc2cnnn2C)cc1	809904140	USFDIACYIQRBGH-UHFFFAOYSA-N	320.378	1.069	50	20	DDGD	
CSC1(C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)CCC1	801105218	BNQQDFKOZJFFCZ-UHFFFAOYSA-N	321.402	1.367	50	20	DDGD	
CCCC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1ccccc1C	298874241	LTEGPONUTZKPDO-AWEZNQCLSA-N	317.389	1.547	50	20	DDGD	
O=C(NNc1nnc[nH]1)[C@@H]1CCCCN1Cc1ccccc1	294035604	VZOUBFVNNUSIJY-ZDUSSCGKSA-N	300.366	1.303	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(c2ccc(C#N)nc2)CC1	801292555	ZEFVZOATJDYEKB-SEYXRHQNSA-N	311.345	1.046	50	20	DDGD	
CC(C)CN1C[C@H](C(=O)NNC(=O)Nc2ccccc2)CC1=O	801992997	LDYDTTLFQMNEBQ-GFCCVEGCSA-N	318.377	1.344	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)N=c1cc[nH]cc1)c1ccccc1F	802025743	FRCGATLMPWOKGU-NSHDSACASA-N	316.336	1.989	50	20	DDGD	
CCCOc1cccc(NC(=O)NNC(=O)[C@@H]2CCCO2)c1	292784870	XLWZAAJCFUISCF-ZDUSSCGKSA-N	307.350	1.807	50	20	DDGD	
Cc1nc(O)c(Br)cc1C(=O)NN=c1cc[nH]cc1	803079280	XRZMHJDKUDUSPJ-UHFFFAOYSA-N	323.150	1.432	50	20	DDGD	
Cc1ccncc1C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802103777	ILXTVCIPRUFWIO-UHFFFAOYSA-N	314.301	1.585	50	20	DDGD	
CCN(CC)CCSCC(=O)NNc1ncc(F)cc1F	297008599	RMKPOQZTAWUXMD-UHFFFAOYSA-N	318.393	1.878	50	20	DDGD	
Cc1c(NNC(=O)COCc2cccnc2)cccc1[N+](=O)[O-]	807121680	YEALSRKHTANKFG-UHFFFAOYSA-N	316.317	1.958	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)CC(C)(C)C)c(OC)n1	290882102	GFYDNOAZVKBJJP-UHFFFAOYSA-N	324.381	1.365	50	20	DDGD	
COCc1cnc(NC(=O)C(=O)NNc2cccc(F)c2)s1	806996482	XQQNNVVIKFJMPP-UHFFFAOYSA-N	324.337	1.510	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1ccc2c(O)nccc2c1)C1CC1	297460171	KREMSKWBRBKPJT-AWEZNQCLSA-N	316.361	1.992	50	20	DDGD	
Cn1cncc1CC(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	806991517	YBRJGBKJKJCKRH-UHFFFAOYSA-N	323.278	1.996	50	20	DDGD	
CCCc1[nH]ccc1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	817271181	SYAXABGSRPAYQL-LLVKDONJSA-N	323.393	1.706	50	20	DDGD	
O=C(NN=C[C@H]1CCOC1)c1nn(-c2ccccc2)cc1O	812439755	YUVZMAAEVPEISD-LLVKDONJSA-N	300.318	1.330	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21	816829419	OYHBMFSVGZIPAU-HZMBPMFUSA-N	312.373	1.845	50	20	DDGD	
Cn1c(NNC(=O)CNC(=O)CC(C)(C)C)nc2ccccc21	816577552	QAGGJRPKNRLYNK-UHFFFAOYSA-N	317.393	1.569	50	20	DDGD	
O=C(CNC(=O)NNc1cccc(Cl)n1)NC1CCCC1	814291496	NQQOYXNXUIDWPF-UHFFFAOYSA-N	311.773	1.420	50	20	DDGD	
CC[C@@H](Cc1ccccc1C)C(=O)NNc1nccn(C)c1=O	819886365	USPBFPYRLXUPJH-ZDUSSCGKSA-N	314.389	1.801	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)c2cn(C)c3ccccc23)n1C	811636928	QCJLNRBKMGABMK-UHFFFAOYSA-N	324.388	1.742	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)[C@@H]1CCCSC1	810339925	SVYVYKXMLYLXHZ-SNVBAGLBSA-N	305.363	1.718	50	20	DDGD	
COc1ccc(OCCNC(=O)NNc2ncncc2F)cc1	814269754	FJPLVURSMYLVGL-UHFFFAOYSA-N	321.312	1.329	50	20	DDGD	
CCc1c(C(=O)NNc2nc[nH]n2)cnn1-c1ccc(F)cc1	816634967	YRHTUXRXFRJIFA-UHFFFAOYSA-N	315.312	1.449	50	20	DDGD	
C[C@@](C#N)(CC(=O)O)C(=O)NNC(=O)c1ccc(Cl)cc1	819846555	DGGIGILVFJFWDO-ZDUSSCGKSA-N	309.709	1.106	50	20	DDGD	
CCC1(CC)C(=O)NCCC1=NNC(=O)Cc1csc(C)n1	819806424	PDPGNLJBRPJWKM-UHFFFAOYSA-N	322.434	1.793	50	20	DDGD	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NN(C)[C@@H](C)CO	823976169	AFWPYRJIXHDBPH-LXTVHRRPSA-N	300.443	1.808	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1cc(C(F)(F)F)ccc1O	829622766	WUUMUFHGCPCSTL-UHFFFAOYSA-N	312.269	1.131	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccn(CCc2ccccc2)n1	822203610	CKDLJYVLBNXIJF-UHFFFAOYSA-N	300.362	1.543	50	20	DDGD	
COc1ccc2nc(NNC(=O)[C@@H](C)N(C)C)c(C)cc2c1	821760581	GLWRYTJZUANXOM-LLVKDONJSA-N	302.378	1.945	50	20	DDGD	
CCc1[nH]nc(C(=O)NNC(=O)c2ccccc2C)c1[N+](=O)[O-]	726382587	WRICKTQHQRGGQJ-UHFFFAOYSA-N	317.305	1.264	50	20	DDGD	
CCC(=O)N1CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1	491101591	FMFIIJPDIPICNT-LCYFTJDESA-N	301.321	1.771	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1cnc(C(C)(C)C)nc1	490943307	RCNSAKQHRBXJGC-MDWZMJQESA-N	302.378	1.834	50	20	DDGD	
CCOc1cc(C(=O)NNC(=O)OC)c([N+](=O)[O-])cc1OC	490579446	UGSWBONCZIDUIU-UHFFFAOYSA-N	313.266	1.003	50	20	DDGD	
CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)C1CC1	820230039	FXDJKKMIDFXMDX-LLVKDONJSA-N	313.398	1.483	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CCc2ccc(O)cc21	822672783	VQNJKCKBJVEDMJ-DUFXMDAXSA-N	319.361	1.135	50	20	DDGD	
COc1ccc(Br)cc1C=NNC(=O)CN(C)C	727650000	SYEQZEHWRZEJED-UHFFFAOYSA-N	314.183	1.469	50	20	DDGD	
CCc1c(C(=O)NNC(=O)CCCc2ccccc2)cnn1C	727716430	JRYHUJRPAJDKPR-UHFFFAOYSA-N	314.389	1.766	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@@H](c2nc[nH]n2)C1	491082328	IOTWSTFZVBPWIA-GKWYLQRDSA-N	311.320	1.867	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1cc(-c2nn[nH]n2)cs1	822941485	WZOZZBWUFJZLIE-UHFFFAOYSA-N	320.378	1.270	50	20	DDGD	
COC(=O)c1cc(/C=C(\C#N)C(=O)Nc2ccn(C)n2)cn1C	491176737	RMJFEFQPHAOZAU-IZZDOVSWSA-N	313.317	1.091	50	20	DDGD	
O=C1CCCN1Cc1ccc(NCc2ccccc2B(O)O)cc1	585011734	DGNDGWPAVZBNGH-UHFFFAOYSA-N	324.189	1.101	50	20	DDGD	
CN1Cc2ccccc2[C@H](NC(=O)/C(C#N)=C/c2cnn(C)c2)C1	827783555	MYLIWWGISGMZAK-SXKJYUOZSA-N	321.384	1.630	50	20	DDGD	
C=Cn1cc(C=NNC(=O)NCCNC(=O)OC(C)(C)C)cn1	496694214	XPTNLZBIKGWIMH-UHFFFAOYSA-N	322.369	1.141	50	20	DDGD	
C[C@H](NC(=O)[C@]1(C)C[C@H]1Br)C(=O)N1CCCC1	907962924	QCCYKRGRCJPHTJ-YGOYTEALSA-N	303.200	1.287	50	20	DDGD	
OB(O)c1ccc(CNCc2cccc(CN3CCCC3)c2)cc1	585032520	HZLZOLWKJCAOOW-UHFFFAOYSA-N	324.233	1.252	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(Br)nc2)nn1	738540938	PXHXOLLSOIWUJV-UHFFFAOYSA-N	324.138	1.400	50	20	DDGD	
CC(C)[C@@H](NC(=O)O)C(=O)NNC(=O)C(C)(C)c1ccccc1	736375918	RGWHKDMQHTZCQN-GFCCVEGCSA-N	321.377	1.404	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1CNC(=O)NNC(=O)[C@@H](C)OCCOC	838647930	ANXSGDLARAOJAI-JHJVBQTASA-N	315.414	1.195	50	20	DDGD	
Cn1cc(NC(=O)[C@@]2(C)C[C@H]2Br)cc1C(N)=O	906959100	SKYDLUDMVJWIMC-KCJUWKMLSA-N	300.156	1.236	50	20	DDGD	
C[S@](=O)C1(CNC(=O)[C@@]2(C)C[C@@H]2Br)CCC1	907955951	YBYCNOSWDPXSRP-ACZUWMGVSA-N	308.241	1.577	50	20	DDGD	
COc1cc(NNC(=O)[C@H]2CCCC(=O)N2C)ccc1Cl	907840455	ICAITMFWKWPPEK-LLVKDONJSA-N	311.769	1.803	50	20	DDGD	
CC(C)(C)[C@H]1CCCN(C(=O)c2cccc(B(O)O)c2)CC1	584949877	GQBUFXQINMBNMK-AWEZNQCLSA-N	303.211	1.655	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)cc1	905160954	FLVRFKKOUSTGIG-NILFDRSVSA-N	318.398	1.460	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2c[nH]nc2C2CC2)c(F)c1	837208368	YCSSDKZLPBBCJT-UHFFFAOYSA-N	318.308	1.970	50	20	DDGD	
CC(C)n1nc(C(=O)NN=Cc2ncc[nH]2)c2ccccc2c1=O	731150286	AOUFJBJAEFYCFX-UHFFFAOYSA-N	324.344	1.464	50	20	DDGD	
O=S(=O)(CCl)NCc1ccc(O)c(Br)c1	830896843	IDWXASZOGCMRSB-UHFFFAOYSA-N	314.588	1.770	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N2C[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2)cc1	836264682	JQGFOPZLEMQERA-VGWMRTNUSA-N	324.384	1.891	50	20	DDGD	
CC1(C)C[C@H](CNC(=O)NNC(=O)c2ccccc2F)CCO1	836429839	UIASDZIAVMNKFU-LLVKDONJSA-N	323.368	1.975	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccnc(NC2CCC2)c1	908372526	RFUQYUMHQPBIFB-UHFFFAOYSA-N	302.313	1.732	50	20	DDGD	
COCCN(C)NC(=O)CSc1nccn1C(C)(C)C	837624376	ZQZZSDBZPJRXNF-UHFFFAOYSA-N	300.428	1.340	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	832894037	JBRWPPUDXISXGN-UPJWGTAASA-N	302.440	1.305	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)C1(C(F)(F)F)CCCC1	584912192	QBOSFIQXAPPAFZ-UHFFFAOYSA-N	301.073	1.428	50	20	DDGD	
CC1(C)C[C@@H](CNC(=O)NNC(=O)c2ccccc2O)CCO1	838735612	PBPRQBHTWFYEQD-NSHDSACASA-N	321.377	1.541	50	20	DDGD	
CC(C)(CC(=O)O)CC(=O)NNC(=O)c1ccc(C#N)cc1	833454713	TZLGLEGOLCTTIB-UHFFFAOYSA-N	303.318	1.210	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NN=Cc1ccc([N+](=O)[O-])o1	916274362	PLUYHDHMXXXIFB-UHFFFAOYSA-N	313.273	1.688	50	20	DDGD	
Cc1oc(-c2ccccc2)nc1CC(=O)NN(C)C[C@@H](C)O	910175375	NNEMOUDGPNIPER-LLVKDONJSA-N	303.362	1.536	50	20	DDGD	
CCCC[C@H](COC)NC(=O)NNC(=O)[C@H]1CCCCO1	836314880	VXZRABLGYBXPSW-VXGBXAGGSA-N	301.387	1.091	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)c2ccc3c(c2)OCO3)cn1	732710107	FCGIFKMQJHKQSM-UHFFFAOYSA-N	300.318	1.957	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CCc2cccc(O)c21	834962181	LGVNDTBRPIHVLQ-UHFFFAOYSA-N	303.362	1.464	50	20	DDGD	
CCN(CC)C(=O)CCCNC(=O)NNC(=O)C1CCCC1	916577494	FCQAMVMKUQKCIU-UHFFFAOYSA-N	312.414	1.156	50	20	DDGD	
O=C(CCc1ccc(C(=O)O)cc1)NN=c1cc[nH]cc1Cl	833101982	ITBGEJPEUIOPGA-UHFFFAOYSA-N	319.748	1.931	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H](C)C2CCC2)cc1	838394917	NYZLTXZMZBSAPV-LBPRGKRZSA-N	318.373	1.735	50	20	DDGD	
CC(C)c1c(C(=O)NN(C)C[C@H](C)O)cnn1-c1ccccc1	910172793	FUXBJEYCWLEZSK-ZDUSSCGKSA-N	316.405	1.953	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](CC)CC(F)(F)F	838115669	CDJOKFYYHNMXHT-JGVFFNPUSA-N	312.288	1.454	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNC(=O)c1ccc(Cl)cc1	839467218	QEALFHYVPFDWTN-NSHDSACASA-N	311.769	1.249	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(Cl)nc(Cl)c1	833257339	VLAYCRXQDRAREH-QMMMGPOBSA-N	318.160	1.719	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)/C=C\Sc1cc(F)ccc1F	910150170	OQYNDTTWHJICNC-UDIARPCQSA-N	302.346	1.914	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=C1CN2CCC1CC2	915049553	PRBYPVBMEMLOIV-NSHDSACASA-N	305.353	1.791	50	20	DDGD	
Cc1nc(CCC(=O)NN(C)C[C@@H](C)O)oc1-c1ccccc1	910165519	LYZPXZPBNRCGIV-GFCCVEGCSA-N	317.389	1.926	50	20	DDGD	
CC(C)c1nn(C)c(Cl)c1C(=O)NNC(=O)NCC1CC1	741675664	LRJNAINYYIUAGN-UHFFFAOYSA-N	313.789	1.551	50	20	DDGD	
Cc1c(NNC(=O)c2cccc(C(N)=O)c2)cccc1[N+](=O)[O-]	748671010	VMGKZKSCTPZFND-UHFFFAOYSA-N	314.301	1.759	50	20	DDGD	
C[C@@H](Cc1ccc(F)cc1)C(=O)NNC(=O)Cc1ccncc1	747324901	QDXVDIMIJCTZAM-LBPRGKRZSA-N	315.348	1.789	50	20	DDGD	
O=C(N[C@H]1C[C@@H](C(=O)O)C1)[C@@]12CC[C@@H](C[C@@H]1Br)C2	840943728	AAZKMULAPZXNMJ-CDHFTJPESA-N	316.195	1.920	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@H]1CCCN2CCCC[C@H]12	847441792	CSDJPDAZBLTUDY-UONOGXRCSA-N	308.426	1.524	50	20	DDGD	
Cn1c(NNC(=O)c2cncnc2C2CC2)nc2ccccc21	848380320	CHXXLZWOEDBFKK-UHFFFAOYSA-N	308.345	1.998	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NN(C)C[C@@H](C)O)cc1OC	910152268	NBZKKIMHPLLZLR-VXGBXAGGSA-N	310.394	1.226	50	20	DDGD	
COc1cccc(C(C)=NNC(=O)NCC(F)(F)F)c1O	844577949	KVQQQPMAMCBMDN-UHFFFAOYSA-N	305.256	1.986	50	20	DDGD	
C[C@H](c1ccccc1)[C@H](CO)NC(=O)/C(C#N)=C/c1cnn(C)c1	841415442	HDIHSNFUBVAOHT-LGWJHXDISA-N	324.384	1.608	50	20	DDGD	
COc1ccc(NCC(=O)NN=C2C[C@H](C)n3ncnc32)cc1	841603755	NFDYWWLFUCJPLY-JTQLQIEISA-N	314.349	1.184	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)[C@H](C)NC(=O)OC(C)(C)C	842556492	BGMDZQNKUXRWEU-ZMLRMANQSA-N	313.398	1.817	50	20	DDGD	
COc1ccccc1CCC(=O)NNC(=O)CC(F)(F)F	918363659	BOHBAKSINNKCEV-UHFFFAOYSA-N	304.268	1.728	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1cc(C)nn1C	841607511	VATGWPJJFDQTRN-UHFFFAOYSA-N	302.334	1.266	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NNc1ncc(Br)cn1	848319933	GLYDMKBWHPDEDJ-YUMQZZPRSA-N	301.144	1.107	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccccc2)c1	744490471	ACVVFVUQQFJAKN-UHFFFAOYSA-N	323.308	1.176	50	20	DDGD	
O=C(NNc1cccc2c1CCCC2)[C@@H]1CCCS(=O)(=O)C1	845855908	BZECNSPSBPQIGF-CYBMUJFWSA-N	322.430	1.833	50	20	DDGD	
CC(=NNC(=O)C(N)=O)c1cc(Cl)ccc1OC(F)F	748074417	IQVIGPLUGLJAFD-UHFFFAOYSA-N	305.668	1.267	50	20	DDGD	
N#CC1(CNC(=O)NNC(=O)c2ccc3ccccc3n2)CCC1	842195797	BFINFVZYEQAYLB-UHFFFAOYSA-N	323.356	1.873	50	20	DDGD	
C[C@]1(C(=O)Nc2ccnc(OCCO)c2)C[C@@H]1Br	912718336	FCCLFQAROKNEPT-CABZTGNLSA-N	315.167	1.565	50	20	DDGD	
CN(C)N(C(=O)[C@@H]1C[C@H]1CC(C)(C)C)[C@@H]1CCS(=O)(=O)C1	843519590	HCQBYZBADWFFHM-YNEHKIRRSA-N	316.467	1.551	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc(Br)nc1	746581623	BATYWHBKIMZBHY-UHFFFAOYSA-N	323.150	1.257	50	20	DDGD	
Cc1cc(C)n(CCCC(=O)NNC(=O)c2ccccn2)n1	929110879	SAEHUZNWUKLMQZ-UHFFFAOYSA-N	301.350	1.136	50	20	DDGD	
CCn1c(NNC(=O)[C@](C)(O)CC)nc2ccccc2c1=O	929774470	ADBWRXHGOOCVID-OAHLLOKOSA-N	304.350	1.021	50	20	DDGD	
CCOCCC1(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CCCC1	843654329	QXYZMZCNKGPJJL-CHWSQXEVSA-N	312.410	1.546	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1csc(C)n1	750936283	HTWMRWFIBGOUEQ-UHFFFAOYSA-N	306.347	1.315	50	20	DDGD	
O=C(NNC(=O)C(F)(F)c1c(F)cccc1F)c1ccc[nH]1	756871689	BBLRORJXJZSJEP-UHFFFAOYSA-N	315.226	1.846	50	20	DDGD	
COCCN(C)NC(=O)c1ccc2nc(O)n(C(C)C)c2c1	854409839	NDTAJAXYXMLOIK-UHFFFAOYSA-N	306.366	1.546	50	20	DDGD	
CC1=NO[C@@H](CNC(=O)NNc2c(F)cc(F)cc2F)C1	923527755	PZEMVQPIMYKULF-MRVPVSSYSA-N	302.256	1.895	50	20	DDGD	
Cc1cc(NC(=O)CN(C)NC(=O)OCc2ccccc2)on1	859388432	RYUQUVXEMOYCFD-UHFFFAOYSA-N	318.333	1.695	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NC[C@@H]2CCCCO2)c1	920344112	LRQNLQVYNJWUHP-AWEZNQCLSA-N	320.393	1.266	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C1(C)CCC(=O)CC1	854388202	BBRDSTJIKIYQTK-UHFFFAOYSA-N	314.382	1.072	50	20	DDGD	
Cc1ncoc1CNC(=O)NC[C@]1(C)C[C@@H]1Br	923371646	CQSHYHPBKSAONR-ONGXEEELSA-N	302.172	1.956	50	20	DDGD	
CC(C)(C)NC(=O)[C@@H]1CCCN1S(=O)(=O)CCCCl	921455567	OILHVQAMAQHOIL-JTQLQIEISA-N	310.847	1.324	50	20	DDGD	
Cc1cc(C)n([C@H](C)CC(=O)NNC(=O)c2cccc(F)n2)n1	856422086	NVPCBTWYSDSNRD-LLVKDONJSA-N	319.340	1.446	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)OCC(F)(F)F)N1CCCCCC1	856023349	GHEUOVHFAHQSMI-VIFPVBQESA-N	311.304	1.571	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1ccc2c(c1)CCCO2	853313730	GPMWSKXCSFNYCD-CYBMUJFWSA-N	320.389	1.903	50	20	DDGD	
O=C(NN=C1CS(=O)(=O)Cc2ccccc21)C1CCCC1	853290291	WAKFESRDBNTXQG-UHFFFAOYSA-N	306.387	1.626	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1CCCC1=NNC(=O)c1cc[nH]n1	853392787	VEZXCZQMJDZESG-SECBINFHSA-N	307.354	1.573	50	20	DDGD	
O=C(NNC(=O)c1cn2c(n1)CCCC2)c1cccc(Cl)n1	857324313	DHGJKZUWJCNDQR-UHFFFAOYSA-N	319.752	1.343	50	20	DDGD	
CC[C@H]1CC(=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)CCO1	756823698	LZNXITPERDZSIH-ZDUSSCGKSA-N	306.322	1.852	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccccc1C(C)=O	854387058	ZLONPHWDZKWUJF-UHFFFAOYSA-N	322.361	1.439	50	20	DDGD	
O=C(CCCc1nccs1)NNC(=O)OCC(F)(F)F	856020367	DRGTZPFGJLJXEU-UHFFFAOYSA-N	311.285	1.786	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc2cncn2c1)C1CC1	855096504	BWSUYUHADXSGBG-SECBINFHSA-N	303.391	1.242	50	20	DDGD	
Cc1ccccc1C[C@@H](CO)NC(=O)NNC(=O)C1CCCC1	753356253	WHCBVEXLRMELAX-HNNXBMFYSA-N	319.405	1.419	50	20	DDGD	
O=C(Cc1ccccc1O[C@H]1CCOC1)NNc1cnccn1	857488385	FIUMBSDRTJCOFY-ZDUSSCGKSA-N	314.345	1.330	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCN(C)C2CC2)c1C	853723508	VTZLFKHZNWGTCL-UHFFFAOYSA-N	320.393	1.502	50	20	DDGD	
CC[C@H](C)[C@H](O)CNC(=O)NC[C@]1(C)C[C@@H]1Br	856955154	KFATXFOCLRTALM-WYFGTUCQSA-N	307.232	1.866	50	20	DDGD	
Cc1ncc2n1CC[C@@H](C(=O)NNc1ccc(Cl)cn1)C2	856090841	AFQBTQIDFGSAPW-SNVBAGLBSA-N	305.769	1.946	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CCCCS2(=O)=O)cc1F	856230255	KEKXGBZYRRTFFF-LBPRGKRZSA-N	300.355	1.545	50	20	DDGD	
O=C(NN=Cc1c(-n2ccnc2)nc2ccccn12)C1CCC1	755727085	RGGRCTRKGVKJMS-UHFFFAOYSA-N	308.345	1.770	50	20	DDGD	
O=C(NNC(=O)C1CC(OCc2ccccc2)C1)c1cc[nH]n1	855357196	DAXMKFQKPMUKGW-UHFFFAOYSA-N	314.345	1.166	50	20	DDGD	
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NNC(=O)COc1ccc(F)cc1	854218315	SVXRFMZUVDQMGO-CHWSQXEVSA-N	324.352	1.556	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C[C@H](n1cccn1)C(F)(F)F	857115650	OCIVRBRXHFGZCW-VIFPVBQESA-N	320.315	1.960	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1	755640556	JFCRNRLTGYYOOZ-LBPRGKRZSA-N	320.349	1.367	50	20	DDGD	
Cc1nn(C)cc1C1=NO[C@H](C(=O)NNc2ccccc2F)C1	935016022	AUWDCWGOZHXESI-AWEZNQCLSA-N	317.324	1.504	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1CCCN(CC(F)F)C1	865014583	IUYPAIHOAZBEOF-SNVBAGLBSA-N	306.357	1.094	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCCN1C[C@@H]2CC[C@H](C1)O2	867355173	SMHQARAKLYAOAV-TXEJJXNPSA-N	324.874	1.034	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NNc1ccncn1	861874389	ZBNVKMACLZNNAV-JTQLQIEISA-N	309.370	1.565	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@@H](OC)c1cccc(OC)c1	862370929	VZOCARZVZZFRGR-HFBDAHEESA-N	304.346	1.943	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1nccn2ccnc12	863095272	LYMARHINEQVXLQ-UHFFFAOYSA-N	309.198	1.161	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)COc1ccccc1F)c1ccc[nH]1	760287610	LVAFQWIHRBBQEJ-SNVBAGLBSA-N	320.324	1.624	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H]2CCN2C(C)(C)C)c1	862992210	CEFSXXUTPWBYKY-AWEZNQCLSA-N	319.405	1.394	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@H]1c2ccccc2C[C@@H]1O	866985794	OEZFEXNWSFLWFU-STQMWFEESA-N	317.838	1.829	50	20	DDGD	
COc1nccnc1NNC(=O)C(=O)Nc1ccc(F)cc1C	766260263	BZQUVVCHOQSGSF-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)c2cccc(Cl)c2Cl)N1	862449058	KXQVDQZSXSOECN-MRVPVSSYSA-N	316.144	1.033	50	20	DDGD	
COc1cccc(NNC(=O)c2cc(O)nc3c2CCCC3)n1	935295514	LCHBZGYXPWCLBT-UHFFFAOYSA-N	314.345	1.827	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H]1CCCN1C(C)C	935845903	QLDYZYIRINDSLK-ZDUSSCGKSA-N	323.368	1.928	50	20	DDGD	
Cc1cccc(NNC(=O)[C@]2(C3CCCC3)CCNC2=O)n1	862517387	NPNWDSQZPKXIBW-INIZCTEOSA-N	302.378	1.530	50	20	DDGD	
CCC(CC)[C@H](C(=O)NN=c1cc[nH]c(C)c1)N1CCOCC1	862513959	WPNKEUYYFMMXPO-MRXNPFEDSA-N	320.437	1.392	50	20	DDGD	
Cc1csc(C(=O)NNS(=O)(=O)N2C[C@H]3CC[C@H]2C3)c1	863413934	NMWDVTSWSLIGDY-UWVGGRQHSA-N	315.420	1.020	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)cc[nH]1	862514924	BJRMRTSHWGCTCF-NSHDSACASA-N	308.382	1.510	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@@H]1CC(=O)N(C2CCCCC2)C1	760911297	DZZUQHVJWYHCFA-SNVBAGLBSA-N	321.356	1.240	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@H]1CC(=O)N(C2CCCCC2)C1	760911294	DZZUQHVJWYHCFA-JTQLQIEISA-N	321.356	1.240	50	20	DDGD	
Cc1cc(=NNC(=O)NCc2ccc3c(n2)CCCC3)cc[nH]1	875538347	PNZGOZJBUGLVSV-UHFFFAOYSA-N	311.389	1.912	50	20	DDGD	
O=C(NN=C1CCOC[C@H]1CN1CCCCC1)C1CCOCC1	1119303429	VZPPDPPXDQLXOH-OAHLLOKOSA-N	323.437	1.408	50	20	DDGD	
C[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)C1	1116120198	CMOGZVKCEZSULQ-GHMZBOCLSA-N	304.394	1.876	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNC(=S)Nc1cccc(C)c1	873775297	ASXKZLIBMGRCRE-LLVKDONJSA-N	313.448	1.427	50	20	DDGD	
C[C@@H](CBr)COC(=O)[C@@H]1CCCCS1(=O)=O	772410550	VVBNGMUXYAMKAM-IUCAKERBSA-N	313.213	1.528	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1c(C)c(C(F)(F)F)nn1C	879201563	MQCWOENBOAEOFB-UHFFFAOYSA-N	309.248	1.482	50	20	DDGD	
N#CC1=CCN(CC(=O)Nc2cccc(N3CCCC3=O)c2)CC1	779589461	ISMOJABSYXZONZ-UHFFFAOYSA-N	324.384	1.908	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCCOc2cc(C)ccc21	779816033	GKFFYIYXCSBNIE-UHFFFAOYSA-N	305.334	1.344	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)C(=O)Nc1cccnc1C	770822064	QAEUKKLPXXTEQA-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)[C@@H]1C[C@H]2CC[C@H]1O2	771533858	DLMOPVCDGZIUOO-OPRDCNLKSA-N	312.167	1.855	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](C)CCc1ccc(OC)cc1	875169526	AQPUHTJZMOPWIR-LLVKDONJSA-N	309.366	1.929	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1nc2ccccc2s1)C(=O)OC	874914387	VAPRZMBVOBPOLE-MRVPVSSYSA-N	321.358	1.257	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C(C)(Cl)Cl)c1	776743124	SAOMRSHVELOYGU-UHFFFAOYSA-N	321.160	1.659	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc2c(cc1Cl)OCCO2	878104728	XNQKKUDXCRWNCD-UHFFFAOYSA-N	315.757	1.726	50	20	DDGD	
O=C(CCl)NCc1ccc(N2CCC(O)CC2)c(F)c1	1116437679	NAMTZGHAZDPJJY-UHFFFAOYSA-N	300.761	1.642	50	20	DDGD	
COC(=O)Cc1occc1C(=O)NNc1nccnc1Cl	774420292	RPFAAATUSZLSOH-UHFFFAOYSA-N	310.697	1.195	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NN=Cc1ccc(F)nc1	777442059	DTHSWGTWWNNSDI-UHFFFAOYSA-N	310.329	1.586	50	20	DDGD	
COC(=O)Cn1cccc1C=NNC(=O)NCc1ccco1	776179724	DESHSQCWCUOCGZ-UHFFFAOYSA-N	304.306	1.087	50	20	DDGD	
O=C(CC1CCCC1)NN=Cc1cn(C[C@H]2CCCO2)nn1	872347534	QHLIOBFIZLRBPX-CQSZACIVSA-N	305.382	1.488	50	20	DDGD	
CO[C@H](C)C(C)=NNC(=O)C(=O)NCc1ccc(Cl)cc1	771566928	AOIKYHQMMKCDLX-SNVBAGLBSA-N	311.769	1.483	50	20	DDGD	
CN(C)[C@H](C(=O)NNc1ccc(F)c(F)c1)c1cncn1C	885114256	WQVXWAUKSBBTMZ-ZDUSSCGKSA-N	309.320	1.444	50	20	DDGD	
O[C@]1(c2cn(/C(Cl)=C/CBr)nn2)CCOC1	881311065	XIRSIXTYMJXSHF-QYVLKFIISA-N	308.563	1.318	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CNc2ccccc2)c(C)n1C	779159199	BMYZIAPNUOOVNE-UHFFFAOYSA-N	300.362	1.515	50	20	DDGD	
CCC(=O)N1CCC[C@H](C(=O)NNc2nccnc2C(C)C)C1	772861771	YDTDXRVVDBLKAE-LBPRGKRZSA-N	319.409	1.692	50	20	DDGD	
Cc1nc[nH]c1C=NNC(=O)C(=O)NCc1ccc(Cl)cc1	771568735	URSAAJLDFUEYMN-UHFFFAOYSA-N	319.752	1.138	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@H]1CC(c2cnn(C)c2)=NO1	1120648228	IYTZDQNSEHFOAD-SECBINFHSA-N	305.165	1.175	50	20	DDGD	
CN(C)Cc1cccc(C(=O)NNc2ncncc2Cl)c1	781833374	JEMSKSQBGIWCRJ-UHFFFAOYSA-N	305.769	1.949	50	20	DDGD	
CSCCNC(=S)NNC(=O)CCCc1ccsc1	783060981	KBBWOXXBQXMOON-UHFFFAOYSA-N	317.505	1.929	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@@H]1CCCCN1C1CCCC1	788266039	MDJPKHACSBNQQU-HNNXBMFYSA-N	318.421	1.583	50	20	DDGD	
COC[C@H](C)OC(=O)/C(C#N)=C\c1ccc(C(=O)OC)cn1	899339637	SDSPQXSAWHQRDA-OGGBREFQSA-N	304.302	1.353	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1nc2c(s1)CCC2	789780818	ZACLSIAYFYIWQI-UHFFFAOYSA-N	317.374	1.417	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cnc3ccccn23)c1	780800973	SIATYTZTZMWDRU-UHFFFAOYSA-N	310.313	1.878	50	20	DDGD	
Cc1ccccc1-n1nccc1NC(=O)NNC(=O)C(C)C	782607713	LVJZFINULQMHGB-UHFFFAOYSA-N	301.350	1.989	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2ccc(C(=O)O)cc2Cl)n[nH]1	783822051	SATUJIGUTPELJN-UHFFFAOYSA-N	320.736	1.763	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc(Br)co1	899998490	QHPYFOFSURACEF-UHFFFAOYSA-N	320.212	1.950	50	20	DDGD	
O=C(CNc1ccccc1)NN=Cc1ccc2c(c1)NC(=O)CO2	788698730	JOFPMGSQPVGTQK-UHFFFAOYSA-N	324.340	1.580	50	20	DDGD	
Cc1ncoc1C(=O)NNC(=O)NCc1ccc(Cl)cc1	787436346	XRNDIOGBQIJEFI-UHFFFAOYSA-N	308.725	1.781	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1ccc(CN2CCCC2=O)cc1	781021318	PXLSTIFVTHTKNB-UHFFFAOYSA-N	310.357	1.383	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2cnn(C(C)(C)C)c2)n1	797630537	ZUHSXKFACQZPBC-UHFFFAOYSA-N	316.365	1.808	50	20	DDGD	
CCc1csc(NC(=O)C(=O)NCCSSC)n1	793078650	OVFVJBGVNPLLFJ-UHFFFAOYSA-N	305.450	1.771	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cn3c(n2)CCCC3)c1	799718444	BBJHDVUGYJWUFC-UHFFFAOYSA-N	314.345	1.763	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2nccn2CC(F)(F)F)n1	794568907	XSXNJVOCGASMDO-UHFFFAOYSA-N	311.267	1.913	50	20	DDGD	
C=C(CBr)COC(=O)c1cccc(C(=O)OC)n1	795448789	NKXHBTCWZPACFZ-UHFFFAOYSA-N	314.135	1.976	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)C[n+]2ccccc2)C12CCCC2	794457820	RNLUMWYEKULUIU-HNNXBMFYSA-O	302.398	1.816	50	20	DDGD	
NC(=O)C(=O)NN=Cc1ccc2c(c1)CCN2Cc1ccccc1	794858546	NDAXWMHQUFRKOV-UHFFFAOYSA-N	322.368	1.185	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H](C)N1CCc2ccccc2C1	798306028	QEEBEYNTOCHXNA-LBPRGKRZSA-N	318.446	1.115	50	20	DDGD	
C=C(CBr)CN1CCC(NC(=O)COC)CC1	791451180	LNORCMZOFZJCPB-UHFFFAOYSA-N	305.216	1.165	50	20	DDGD	
Cc1nn(CCO)c(C)c1C=NNC(=O)CCc1ccccc1	1084040270	PAMZKBDCDKMTGY-UHFFFAOYSA-N	314.389	1.575	50	20	DDGD	
COCc1ccccc1C(=O)NNc1nncc(N)c1Cl	1319780239	VGFNAHRFZRPRJC-UHFFFAOYSA-N	307.741	1.616	50	20	DDGD	
O=C(NNC(=O)C(C1CC1)C1CC1)c1n[nH]c2c1CCCC2	1324381597	LAZYBZUWOSBGHA-UHFFFAOYSA-N	302.378	1.486	50	20	DDGD	
Cn1ccc(NNC(=O)C(C)(C)c2ccc3c(c2)OCCO3)n1	1325744660	ASINLOPRPNXTOP-UHFFFAOYSA-N	316.361	1.612	50	20	DDGD	
C[C@]1(CO)CCCN(C(=O)NC[C@@]2(C)C[C@H]2Br)C1	1328495600	XQMULVJCZJFXKL-KGYLQXTDSA-N	319.243	1.964	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cncn1-c1ccccc1)n1ccnc1	1320179418	MJLXBASSGRCGEF-GFCCVEGCSA-N	324.344	1.091	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNc1cncc(Br)c1	1324859352	MPQJHFUZYBFXRA-UHFFFAOYSA-N	324.182	1.870	50	20	DDGD	
C[C@@H](OC1CCCCC1)C(=O)NNC(=O)N=c1cc[nH]cc1	1340043698	ZVKFEDFJFOCUKU-LLVKDONJSA-N	306.366	1.394	50	20	DDGD	
O=C(NNc1ccncn1)[C@H]1CC(=O)N(C2CCCCC2)C1	1344380333	AKBKPGDPBXWTCS-NSHDSACASA-N	303.366	1.101	50	20	DDGD	
CC(C)CN1CCC[C@H]1C(=O)NNC(=S)N[C@@H](C)C1CC1	1358367696	IAMHGSBQECMIAO-AAEUAGOBSA-N	312.483	1.401	50	20	DDGD	
C[C@H]1CN2CCN1C[C@@H]2C(=O)NNc1ccc(C(C)(C)C)cc1	1528093905	BJBZBFGDBRPDSG-XJKSGUPXSA-N	316.449	1.816	50	20	DDGD	
Cc1noc(C)c1NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1606131845	PEMPZUZYFKSILN-UHFFFAOYSA-N	315.297	1.015	50	20	DDGD	
CCCC[C@H](CN)NC(=O)NNc1ccc(C(=O)O)c(F)c1	1609966807	IQKANGUXDUQJMF-SNVBAGLBSA-N	312.345	1.668	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2cc(C(=O)O)ccc2Cl)cn1	1600931746	DVNJFSLAEKZFQO-UHFFFAOYSA-N	306.709	1.536	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)c1ccc(C(=O)O)c(F)c1	1601561847	DOEXYNTULANYBC-UHFFFAOYSA-N	311.219	1.954	50	20	DDGD	
Cc1nccc(CCC(=O)NNc2cccc(C(=O)O)c2F)n1	1600749117	RJTOHHRGDBZAKS-UHFFFAOYSA-N	318.308	1.698	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@@H]2CCn3ccnc3C2)ccc1F	1608856864	UVGSBVHOVXSNHN-SECBINFHSA-N	318.308	1.426	50	20	DDGD	
CC1CCN(CC(=O)NNc2ccc(C(=O)O)c(F)c2)CC1	1609860143	LQRPGUHVBZVXIR-UHFFFAOYSA-N	309.341	1.699	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCC2(CC(=O)O)CCCC2)cn1	1600945386	GBDYICCPRQBGPR-MLPAPPSSSA-N	316.361	1.478	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CC[C@@H](CC(=O)O)C2)o1	1607733183	CRSDZEHPIGLINR-ZJUUUORDSA-N	309.322	1.175	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2nccc(Cl)c2F)nc1	1610836092	XVQXRWQOTCGBST-UHFFFAOYSA-N	310.672	1.724	50	20	DDGD	
O=C(NN=C1CCCc2ncccc21)[C@H]1CN2CCC[C@@H]2CO1	1549903895	DFFIGKYLRHUZNT-MLGOLLRUSA-N	314.389	1.101	50	20	DDGD	
C[C@@H](CCN)NC(=O)NNc1cccc(F)c1Br	1575955945	UMLDSNVMLXDIJV-ZETCQYMHSA-N	319.178	1.952	50	20	DDGD	
CC[C@@H](C)C[C@@H](N)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	1576984663	ZMQKTGRPHPBYFR-BXUZGUMPSA-N	316.405	1.621	50	20	DDGD	
CO[C@H]1CN[C@](C)(C(=O)NNc2ncccc2C(F)(F)F)C1	1578947380	CMKVBBGRKBBVLU-PELKAZGASA-N	318.299	1.311	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cnoc1)C2	1845165102	VJIPBJLCNIHDED-LLVKDONJSA-N	311.769	1.509	50	20	DDGD	
O=C(C1CCC1)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846387086	FJMRXJWILPUBIA-UHFFFAOYSA-N	305.205	1.794	50	20	DDGD	
C[C@@H]1CN(C(=O)/C(C#N)=C\c2ccc(O)cc2)CC[C@H]1C(=O)O	1589365891	ANFCTPIJPCIJQI-UHZMKECTSA-N	314.341	1.868	50	20	DDGD	
Cc1[nH]ccc1C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1843546904	OSEYNCUFSSGINL-LLVKDONJSA-N	313.760	1.675	50	20	DDGD	
Cc1occc1C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1842434536	LXUAZOOPKCXODS-NSHDSACASA-N	314.744	1.939	50	20	DDGD	
CC[C@](C)(CNC(=O)NNc1ccc(CC(=O)O)cc1)OC	1594835855	XUWJQLCAPVCILM-OAHLLOKOSA-N	309.366	1.755	50	20	DDGD	
Cc1cnc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)cc1C	1592290417	QXFKXFXUDJDXFT-UHFFFAOYSA-N	310.321	1.030	50	20	DDGD	
C[C@@H]1O[C@H](C)C[C@@H]1NC(=O)NNc1ccc(CC(=O)O)cc1	1594257486	GWTXUSSYUOJITN-NRUUGDAUSA-N	307.350	1.506	50	20	DDGD	
C[C@@]1(C(=O)Nc2cccc(CC(=O)O)n2)C[C@H]1Br	1593761379	IMPXDWLUGHKFLF-PRHODGIISA-N	313.151	1.821	50	20	DDGD	
CO[C@]1(C(=O)O)CCN(/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)C1	1599069300	TVWFIICWHWJJEG-IIEJUSTOSA-N	317.301	1.635	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1ccc(C(=O)O)c(F)c1	1596658879	GBQRLOIERBYFMV-UHFFFAOYSA-N	313.285	1.103	50	20	DDGD	
N#CC1(CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)CCC1	1592668803	PUZWADOJUPPYTR-UHFFFAOYSA-N	312.337	1.187	50	20	DDGD	
CO[C@@H]1C(=NNC(=O)c2cccc(C(=O)O)c2)[C@@H]2CCC[C@@H]12	1776096732	PHPGYEMCJKBURO-BZPMIXESSA-N	302.330	1.916	50	20	DDGD	
NC(=O)N1CCC[C@H]1C(=O)NNc1cccc(C(F)(F)F)c1	151489523	VVYXNWFVZXWHQI-JTQLQIEISA-N	316.283	1.692	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN(C)c1ccccc1	153784355	MJNCWQCIQZGSAU-UHFFFAOYSA-N	311.385	1.821	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(C#N)cc1)n1cc([N+](=O)[O-])cn1	155729087	RKTZRQMKOOTELV-UHFFFAOYSA-N	314.305	1.541	50	20	DDGD	
CCCCCS(=O)(=O)CC(=O)NNc1cccc(F)c1	154556932	VUNGCQJOFGJBQI-UHFFFAOYSA-N	302.371	1.874	50	20	DDGD	
C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1cccc(B(O)O)c1	584942727	WNVWBDROSHMTSQ-AWEZNQCLSA-N	323.201	1.807	50	20	DDGD	
CCC(C)(C)C(=O)NNC(=O)c1cc(Br)c[nH]1	102634042	MVDOTKQIQHNCBI-UHFFFAOYSA-N	302.172	1.974	50	20	DDGD	
C[C@H](NC=C(C#N)C#N)c1ccc(OCC(=O)NC2CC2)cc1	55007965	VQGMUTUZNXBZAD-LBPRGKRZSA-N	310.357	1.926	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cc(F)ccc1F	55352630	JCGRZNVFVLHPTN-UHFFFAOYSA-N	320.295	1.977	50	20	DDGD	
CN(C)[C@@H]1CCC[C@H](NC(=O)NNC(=O)OC(C)(C)C)C1	176611593	NFRGGPDNDXSMCA-WDEREUQCSA-N	300.403	1.598	50	20	DDGD	
CNC(=O)NNC(=O)CCCCc1nc2ccccc2s1	56376681	NLIHNDZEHHOKFM-UHFFFAOYSA-N	306.391	1.969	50	20	DDGD	
N#C/C(=C\c1csc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCO1	53102944	DRNNQCSUUZYEOP-LLMHMKPQSA-N	307.331	1.858	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@H]2CCOc3ccccc32)c1	103400755	CKWQZPWGJVIAKM-HNNXBMFYSA-N	321.336	1.886	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(/C=C(\C#N)C(N)=C(C#N)C#N)c1C	112113606	VQBRNGVALJAROP-VZUCSPMQSA-N	309.329	1.975	50	20	DDGD	
CC(C)[C@H](C)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1	171940635	WGLFRPFEYCGBEK-LBPRGKRZSA-N	319.409	1.133	50	20	DDGD	
Cc1cc(C[C@H](C)NC(=O)NNC(=O)c2ccc(C)s2)n[nH]1	118972731	QFLIOUDENMMGMC-QMMMGPOBSA-N	321.406	1.663	50	20	DDGD	
CN1CCCC[C@H]1CNC(=O)NNC(=O)Cc1ccccc1F	1341353461	UDRVWVLUZZWXIY-ZDUSSCGKSA-N	322.384	1.183	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)cc1	68194838	SBNNKYWVQHAREX-ZIAGYGMSSA-N	319.405	1.255	50	20	DDGD	
COCCN(CCO)S(=O)(=O)c1ccc(CCl)cc1	302493120	JJICUKAQHAFYCQ-UHFFFAOYSA-N	307.799	1.055	50	20	DDGD	
O=C(Cc1noc2ccccc12)NNC(=O)NCc1ccco1	65177060	PJNLQVNQAFEMHJ-UHFFFAOYSA-N	314.301	1.494	50	20	DDGD	
COc1cc(C)nc(NNC(=O)COc2ccccc2Cl)n1	174481908	PLVPKVQHUOIKMJ-UHFFFAOYSA-N	322.752	1.969	50	20	DDGD	
C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)NC1CCCC1	68282630	RIBPIPWVBKCAGE-NSHDSACASA-N	316.361	1.599	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1cc(-c2ccco2)[nH]n1	65176292	KZLUNVWJVBPLDK-UHFFFAOYSA-N	315.289	1.407	50	20	DDGD	
Cn1cnc(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)c1	179389419	MATNVVZESRFTQD-UHFFFAOYSA-N	311.301	1.150	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1ccoc1	61485278	NXDISGFPLGQPHX-UHFFFAOYSA-N	314.276	1.884	50	20	DDGD	
CCNC(=O)NNC(=O)c1c[nH]nc1-c1cccc(Cl)c1	127723268	CFDGFMHAEOEAIC-UHFFFAOYSA-N	307.741	1.694	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccnc(Cl)c2F)cc1	126290984	GHDGBCNXTTUFNB-UHFFFAOYSA-N	318.695	1.821	50	20	DDGD	
CNC(=O)/C(C#N)=C\c1cc2c(cc1Br)OCO2	212086896	UJJPOHZUWLQKBZ-WAPJZHGLSA-N	309.119	1.831	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H](CC)Cc1ccc([N+](=O)[O-])cc1	184642670	YHKAHGRTBOPAEF-LLVKDONJSA-N	309.322	1.941	50	20	DDGD	
CC(C)C[C@@H](CO)NC(=O)NNC(=O)c1cc2ccccc2o1	181366223	SHGOXJOBSUUDFF-LBPRGKRZSA-N	319.361	1.784	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1nnc(C(F)F)s1	181765091	CXFJEZSHBKIIEK-UHFFFAOYSA-N	313.289	1.942	50	20	DDGD	
Cc1ccnc(NC(=O)NNC(=O)c2ccc(C)cc2O)c1	184260481	FLSHQHWXANLXII-UHFFFAOYSA-N	300.318	1.871	50	20	DDGD	
COCCOCCNC(=O)NNc1c(F)cccc1Cl	185176611	HMDQLOPSQMHOKW-UHFFFAOYSA-N	305.737	1.768	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1n[nH]c2c1CCCCC2	188147029	KQZSSRCWYBTURJ-UHFFFAOYSA-N	306.757	1.879	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1cc(OCC(F)F)ccn1	182638353	BAYPFIJBASQQJZ-UHFFFAOYSA-N	310.260	1.128	50	20	DDGD	
Cc1cc2c(cc1C)[C@@H](C(=O)NNc1ncnc3nc[nH]c13)CO2	184476654	BIISSTDJHWNNBJ-NSHDSACASA-N	324.344	1.589	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cn2c(C)nc3ccccc32)o1	78345073	JVOYJRVNDREHHW-UHFFFAOYSA-N	312.329	1.707	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNc1nc(-c2ccncc2)no1	76452296	OKADAOXNNPRWNJ-JTQLQIEISA-N	305.338	1.780	50	20	DDGD	
CCS(=O)(=O)NCC(=O)NNc1ccc(C(C)(C)C)cc1	181128880	UVFPRZPJYOPSQE-UHFFFAOYSA-N	313.423	1.367	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2ccc(F)nc2)cc1	183239428	AASDUFPEKSXBJF-UHFFFAOYSA-N	318.308	1.761	50	20	DDGD	
O=C(CCc1ccccc1Br)NNC(=O)C1CC1	48185183	OKWPZTQFYRKYAK-UHFFFAOYSA-N	311.179	1.939	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cc1cc(F)ccc1F)C1CC1	83676807	TVYYILRGEFHGCB-QMMMGPOBSA-N	313.373	1.801	50	20	DDGD	
O=C(Cc1c[nH]c2cc(F)ccc12)NNC(=O)c1ccncc1	195452805	UJRYXGRXAKYKEB-UHFFFAOYSA-N	312.304	1.706	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc2sc(N(C)C)nc2s1	194939695	XUEUGKNVDKLHLS-UHFFFAOYSA-N	313.408	1.340	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)OC(C)(C)C)N1CCC[C@@H](C)C1	46367466	ZTTBEERYHBWTLV-NEPJUHHUSA-N	314.430	1.846	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc3ccccc3[nH]c2=O)n1	192469528	ZVIAVYLBRMOCGZ-UHFFFAOYSA-N	311.301	1.084	50	20	DDGD	
O=C(CSCc1ccncc1)NNc1nc2ccccn2n1	191915490	DWWFLMUUBLJIDU-UHFFFAOYSA-N	314.374	1.501	50	20	DDGD	
Cc1nc(NC(=O)NNC(=O)Cc2ccncc2)sc1C	83064605	HXUYTUMFTPBMLU-UHFFFAOYSA-N	305.363	1.550	50	20	DDGD	
CC(C)CN1N=C(C(=O)NNc2ccccc2F)CCC1=O	134999631	IYNXFJLKCGUUPC-UHFFFAOYSA-N	306.341	1.903	50	20	DDGD	
Cc1c(C(=O)NNc2nc3ccccn3n2)cnn1CC(C)C	191924374	ZESUUPVBYGTXHZ-UHFFFAOYSA-N	313.365	1.647	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)Cn2nc(C)cc2C)cc1	193201080	FOEQJLJINBKLHV-UHFFFAOYSA-N	315.377	1.068	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=O)c1ccccc1O	249731643	AQGPWVLVGGFJSX-IJLUTSLNSA-N	305.378	1.415	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1cccnc1)[C@H]1C[C@H]2CC[C@H]1C2	245822081	MJMZZLYGSJZJFQ-NZBPQXDJSA-N	316.405	1.779	50	20	DDGD	
O=C(CS[C@H]1CCS(=O)(=O)C1)NNc1ccccc1F	269601966	YYJAHUSDKUBCIK-VIFPVBQESA-N	318.395	1.189	50	20	DDGD	
CC(=O)N1CCC[C@@H]1C(=O)NNC(=O)C(C)(C)c1ccccc1	264522678	AXRZBRVQCKPSKO-CQSZACIVSA-N	317.389	1.123	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)COc2ccccc2F)O1	268367360	VMUDLOLVZFLPPM-GWCFXTLKSA-N	310.325	1.310	50	20	DDGD	
CSCCCCC(=O)NNC(=O)COc1ccccc1O	265802943	NRXDYCCCBWMSMP-UHFFFAOYSA-N	312.391	1.452	50	20	DDGD	
COc1ccc(O[C@@H](C)CNC(=O)NNC(=O)C2CCC2)cc1	266572006	OIYUQUHMSRZUME-NSHDSACASA-N	321.377	1.593	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)C[C@@H]1CCc2ccccc2C1	264875331	SYEVMPRZQSDYBY-CQSZACIVSA-N	323.396	1.967	50	20	DDGD	
CC(C)CC[C@H](C)NC(=O)NNC(=O)C(=O)Nc1ccccn1	268319002	QSXYOJNMFVQNSU-NSHDSACASA-N	321.381	1.175	50	20	DDGD	
CCN(CC)[C@H](CNC(=O)NNC(=O)C1CCC1)c1ccco1	264795474	SLEZPPYJIYJRIP-CYBMUJFWSA-N	322.409	1.793	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCOC1)Nc1ccc(OC(F)F)cc1	266569651	XHUKBKGQGMPCRN-MRVPVSSYSA-N	315.276	1.477	50	20	DDGD	
C[C@H]1C(=O)CC[C@H](C(=O)NNc2nc3ccccn3n2)C1(C)C	276836631	LQSIWKIKMZNNPN-WDEREUQCSA-N	315.377	1.814	50	20	DDGD	
COC1(CC(=O)NNC(=O)COCc2ccccc2)CCC1	276595180	FDYGXASUVDQATG-UHFFFAOYSA-N	306.362	1.310	50	20	DDGD	
CC(Cl)(Cl)C(=O)NNC(=O)COc1ccccc1F	271981703	HJVDSUQSKXRERV-UHFFFAOYSA-N	309.124	1.546	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1cccc(S(C)(=O)=O)c1)N(C)C	271906930	CIOXASPPROPFQV-CYBMUJFWSA-N	313.423	1.119	50	20	DDGD	
O=S(=O)(CBr)N1CCc2ccc(F)cc2C1	272752277	AOFJOHVTMIHRPC-UHFFFAOYSA-N	308.172	1.866	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@H]1CCOC1	276918869	RNWVTVOWKFMUMF-ZJUUUORDSA-N	312.753	1.291	50	20	DDGD	
Cn1nc([C@@H]2CCCO2)cc1NC(=O)NNC(=O)C(C)(C)C	278622121	BCOPBZVPISQLFZ-JTQLQIEISA-N	309.370	1.470	50	20	DDGD	
COC(=O)CCc1ccc(NC(=O)NNC(=O)CC2CC2)cc1	273368728	FODOTZYXEVLQIH-UHFFFAOYSA-N	319.361	1.745	50	20	DDGD	
CCN(CC)C(=O)CCCNC(=O)NNc1ncccc1C	276679324	HBQLIZIFEGXAQC-UHFFFAOYSA-N	307.398	1.665	50	20	DDGD	
CCCOc1ccc(/C=C/C(=O)NN(C)C(N)=O)cc1OCC	272166940	IQCDIDGNOOXSAT-VQHVLOKHSA-N	321.377	1.929	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H]1CCn2ccnc2C1	373942951	LWXXBGFPOGCVCS-GFCCVEGCSA-N	313.361	1.607	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@]2(C)CCCOC2)n1	272646826	DRNAIRZBGPSYDX-OAHLLOKOSA-N	307.398	1.583	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)[C@@H]1CCN(CC(F)(F)F)C1	280526795	JIZQPZHPGIEJLL-SSDOTTSWSA-N	323.706	1.457	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CCc3nnn(C)c3C2)cc1	289818370	AQWUKHXOWOJAEE-JTQLQIEISA-N	301.350	1.072	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@@H](c1nncn1C)C(C)C	286828987	LCYFPRXPASUJRF-LLVKDONJSA-N	303.370	1.542	50	20	DDGD	
CN(NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)OC(C)(C)C	297739207	RVHZFPCBBFEFNM-UHFFFAOYSA-N	311.294	1.812	50	20	DDGD	
CC1=C(C(=O)NNc2ccc([N+](=O)[O-])cc2C)C(=O)OC1(C)C	805386138	IPKGKURQKORZHL-UHFFFAOYSA-N	319.317	1.998	50	20	DDGD	
CCc1nc(NC(=O)C(=O)NNc2ncccc2F)sc1C	807301076	UCDSTRKTLAJDJJ-UHFFFAOYSA-N	323.353	1.630	50	20	DDGD	
O=C(CNCC(F)(F)F)NNc1ccc2c(=O)[nH]ccc2c1	803437473	QQDZAJPPNCFPEL-UHFFFAOYSA-N	314.267	1.123	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc2nc(S)oc2c1	295551973	LZQAJVKLHUMILZ-SNVBAGLBSA-N	321.358	1.447	50	20	DDGD	
CCC[C@H](OC)C(=O)NNc1cccc(S(C)(=O)=O)c1	295137362	YZRVCLCPJLQHNH-LBPRGKRZSA-N	300.380	1.348	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N=c2cc[nH]cc2)c(C(C)(C)C)n1	802030025	UEIDMXSZOPVYQH-UHFFFAOYSA-N	316.365	1.001	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)NNc1ccc(F)c(F)c1F	802826964	RISSQSILDRSZRE-NSHDSACASA-N	315.295	1.948	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)ccc1F	806977953	GFPAXRJCTWDKCK-UHFFFAOYSA-N	323.368	1.910	50	20	DDGD	
O=C(NNc1ncncc1F)[C@H]1CCCN(CC(F)(F)F)C1	294216998	YOFLPRVPWQENSM-QMMMGPOBSA-N	321.278	1.333	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@H](C)CCc2ccccc2)O1	297447985	VTRNXZDBGVHUPZ-IPYPFGDCSA-N	319.405	1.906	50	20	DDGD	
Cc1nn(C)c(C)c1OCC(=O)NNc1ncc(F)cc1F	296784189	ALBGMXFOPHBBSV-UHFFFAOYSA-N	311.292	1.232	50	20	DDGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NNC(C)=O)c1C	298196168	NCILYRTTWYUHPL-OQLLNIDSSA-N	302.378	1.979	50	20	DDGD	
O=C(CN1CCOCC1)NNc1cc(Cl)ccc1[N+](=O)[O-]	296272544	XUFQPKSLRHNATN-UHFFFAOYSA-N	314.729	1.024	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(Cl)c([N+](=O)[O-])c1	295354322	OKPOFHCIHJKMPA-JTQLQIEISA-N	313.697	1.188	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1nn(-c2ccccc2)cc1O	298359174	YGPQTPRZKGEACR-UHFFFAOYSA-N	300.318	1.139	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)C1(C(F)(F)F)CCC1	295819584	LSRGCLTXWXSVFY-UHFFFAOYSA-N	300.244	1.529	50	20	DDGD	
Cc1c[nH]cc1C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802099528	KQFAQEGXGANBQJ-UHFFFAOYSA-N	302.290	1.518	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN[C@@H]1CCc2ccccc2OC1	801576302	XYJYJFHDOWKMLQ-CYBMUJFWSA-N	319.405	1.163	50	20	DDGD	
CC(CCc1ccc(O[C@@H](C)C(=O)O)cc1)=NN(C)C(N)=O	814891647	ZSBWIUKFLNUWDL-NSHDSACASA-N	307.350	1.858	50	20	DDGD	
Cn1ncc2ccc(CNC(=O)NNC(=O)CC(C)(C)C)cc21	812917256	RHGKBIVWPYRXLS-UHFFFAOYSA-N	317.393	1.840	50	20	DDGD	
N#Cc1ccsc1NC(=O)C(=O)NNc1cccc(F)c1F	815606180	PVFVTIIUYIYHNU-UHFFFAOYSA-N	322.296	1.980	50	20	DDGD	
O=C(COc1ccc(F)cc1Cl)NNc1ncncc1F	817080183	HFTXJMHOWIFUDM-UHFFFAOYSA-N	314.679	1.930	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)Cn2cnc3ccccc32)CC1(F)F	817512872	JIIMVOOCRCZOBP-CYBMUJFWSA-N	308.288	1.229	50	20	DDGD	
COc1cc(C(C)=NNC(=O)CC2CC2)ccc1S(C)(=O)=O	814986732	LSWVPPMIPUCLMP-UHFFFAOYSA-N	324.402	1.739	50	20	DDGD	
CC(C)C(=O)Nc1cc(C(=O)NNc2ccnc(F)c2)ccn1	816027742	KRWKIZLALGPWDG-UHFFFAOYSA-N	317.324	1.967	50	20	DDGD	
COc1ccc(CN2C[C@@H](C(=O)NN(C)C3CC3)CC2=O)cc1	819648034	UGRCXLBOLVZAIM-ZDUSSCGKSA-N	317.389	1.169	50	20	DDGD	
N#CSCCCNC(=O)c1cn(Cc2ccccn2)nn1	819698639	JJOMPWXWZYSQAN-UHFFFAOYSA-N	302.363	1.056	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNc1nc(-c2ccncc2)no1	812493265	CLEYKZRFLBWQGM-VHSXEESVSA-N	305.338	1.493	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C1CC(C(=O)O)(c2ccccc2)C1	814852169	MMJBJJHIVZFDGL-UHFFFAOYSA-N	312.329	1.620	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)Cc1c[nH]c2ccccc12)C1CC1	812451281	FSCVHQSYRXVENZ-KRWDZBQOSA-N	315.373	1.673	50	20	DDGD	
CSCCCNC(=S)NNC(=O)c1cccc(C#N)c1	728792400	AGPHYXTXTCRHHD-UHFFFAOYSA-N	308.432	1.420	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)CCc2ccccc2C)n1	728856916	MZNQBZQOCUIEBG-UHFFFAOYSA-N	314.389	1.589	50	20	DDGD	
O=C(NCC1(N2CCCC2)CCOCC1)NNc1ccccn1	729622821	BLSMDECDADHPSY-UHFFFAOYSA-N	319.409	1.353	50	20	DDGD	
CCc1ccc(CN(C)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	827314331	ARROCVMKWHKSBG-DOMZBBRYSA-N	319.405	1.847	50	20	DDGD	
CCN(CCO)NC(=O)c1cnn(-c2ccc(F)cc2)c1C	823846071	AOGXBVWXCLDLOD-UHFFFAOYSA-N	306.341	1.279	50	20	DDGD	
CCOC(=O)[C@H](C)[C@H](C)NC(=O)/C(C#N)=C/c1cnn(C)c1	491163221	VRBKDTDDJQLWAP-DCNGPWTISA-N	304.350	1.031	50	20	DDGD	
CCN(CCO)NC(=O)C1(c2cccc(OC)c2)CCCC1	823855726	DBFSHCKCMPYKLW-UHFFFAOYSA-N	306.406	1.852	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)CCCNC(=O)OC(C)(C)C)[C@@H](C)O1	496651580	RTMGROQKNWQGLD-GHMZBOCLSA-N	313.398	1.961	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1ncncc1Cl	495523146	GHMFJOVEOPUIHA-UHFFFAOYSA-N	301.734	1.052	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(Oc2cccnc2)cc1	823965857	UWAOYDRLVGAAIM-LBPRGKRZSA-N	301.346	1.831	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cn1	491085614	RFCBNOIRHUOQKS-HHBAYHCQSA-N	314.389	1.647	50	20	DDGD	
O=C(O)C[C@H]1CCCN(CCCI)C1	821515577	JLYYAHMYRZZZEO-SECBINFHSA-N	311.163	1.998	50	20	DDGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2cn(C)nn2)cc1	490692988	IASRCUULNGXKSO-ZWSXMNCCSA-N	311.345	1.608	50	20	DDGD	
O=C(CCc1nc2ccccc2s1)N1CC[C@@H](B(O)O)C1	585070965	JRYIDPLYHNDFGD-SNVBAGLBSA-N	304.180	1.304	50	20	DDGD	
CCCCNC(=O)NNC(=O)/C(C#N)=C\c1ccc(O)cc1	491087256	WOJQPEXQSWVFLF-XFXZXTDPSA-N	302.334	1.430	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C=NNC(=O)C(F)F)C1	496785470	NBHXGZBUPGDKCH-SDBXPKJASA-N	303.309	1.611	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NC[C@@H](O)COCC1CC1	491086048	SWEOGODYLZLQGX-ACQAZONXSA-N	318.348	1.636	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NN(C)C(=O)OC(C)(C)C	496792123	IABYUQVHOBPVJX-MNOVXSKESA-N	302.371	1.469	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CC[C@H](C2CCCCC2)C1	585007190	LCPSDXASLRBCNV-HNNXBMFYSA-N	301.195	1.409	50	20	DDGD	
COCCC1(CNCc2ccc(B(O)O)cc2)CCCCC1	585036850	QLLSCNSNZHOKBM-UHFFFAOYSA-N	305.227	1.443	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CC=CCC1	822293428	YARCSMWKGIZLRA-QGZVFWFLSA-N	316.357	1.965	50	20	DDGD	
Cn1cc(C=NNC(=O)c2ccc(O)c(O)c2)c(C2CC2)n1	901236514	VDPBBASXPMMQNM-UHFFFAOYSA-N	300.318	1.473	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)Cc1cccc(F)c1	827314615	HISFXMKEYVTMMF-GWCFXTLKSA-N	309.341	1.423	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=O)c2ccc(Cl)cc2OC)CC1	822299004	URBRLMSBSDXPAR-UHFFFAOYSA-N	324.764	1.869	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc3nc(S)oc3c2)n1	735845347	NCVZLEPUPHDUAE-UHFFFAOYSA-N	317.330	1.672	50	20	DDGD	
Cc1nnc([C@@H](C)NC(=O)NNC(=O)OC(C)(C)C)s1	495352541	MVCMQIKZLUEDLW-ZCFIWIBFSA-N	301.372	1.646	50	20	DDGD	
Cc1cn(C)nc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	839470811	QSDRFKXPRGLQML-SNVBAGLBSA-N	320.324	1.096	50	20	DDGD	
COCCOc1ncccc1CNC(=O)NNc1ccccc1	734268637	WJVWJBAKETXVGL-UHFFFAOYSA-N	316.361	1.933	50	20	DDGD	
CC1(C)CN(CCNC(=O)[C@]2(C)C[C@@H]2Br)CCO1	906493640	MRIAPOGSYPVODH-GXFFZTMASA-N	319.243	1.387	50	20	DDGD	
O=C(C[C@H]1C[C@H]2CC[C@H]1O2)NNC(=O)c1ccc(Cl)cc1O	839556368	XSNSDZRVOWBOTG-ZDSQKVDBSA-N	324.764	1.764	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC(c2cn[nH]c2)CC1	732199409	NYVYDCUIAASOMO-LBPRGKRZSA-N	321.425	1.171	50	20	DDGD	
O=C(NNc1ccc(Br)nc1)[C@H]1C[C@H]1C(=O)O	739546431	IJENTPFFVYPOCG-NKWVEPMBSA-N	300.112	1.008	50	20	DDGD	
CCn1ccnc1C(C)=NNC(=O)COc1ccc(OC)cc1	834921999	AFBSPKROIGSFHD-UHFFFAOYSA-N	316.361	1.831	50	20	DDGD	
CCn1cc(C=NNC(=O)Cc2cn3ccccc3n2)c(C)n1	901194899	QRRODXNDGDZDGS-UHFFFAOYSA-N	310.361	1.552	50	20	DDGD	
CC1(C)C[C@@]1(C(=O)Nc1cccc(B(O)O)c1)c1ccccc1	584910684	CXMUPTPJFHOZQG-SFHVURJKSA-N	309.174	1.673	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc(-n2cccc2)nc1	833246734	QOYRMKFRSPCSML-CYBMUJFWSA-N	314.345	1.202	50	20	DDGD	
Cc1noc([C@H](C)NC(=O)c2c(C)nn(CCCl)c2C)n1	733875543	AOLYRFBKWVXHHS-QMMMGPOBSA-N	311.773	1.921	50	20	DDGD	
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NS(=O)(=O)CCl	831425690	LJEHHHFLOQACNG-CMPLNLGQSA-N	319.810	1.523	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1cc(Cl)c(N)c(Cl)c1	833384102	BTBBVXFOUJGTHR-UHFFFAOYSA-N	319.148	1.683	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)c1c(F)cccc1F	730782349	LLYSCLWVWAXKBA-UHFFFAOYSA-N	322.267	1.510	50	20	DDGD	
C[C@@H]1CCc2ccccc2[C@H]1NCc1ccc(B(O)O)cc1F	585035532	UTWWAQOHWYDSPK-XIKOKIGWSA-N	313.181	1.919	50	20	DDGD	
CCc1cc(CNC(=O)NNC(=O)CCc2ccccc2)n[nH]1	738480187	OATZYUZJZHBCPH-UHFFFAOYSA-N	315.377	1.435	50	20	DDGD	
CN(C)c1nc(CNC(=O)[C@@]2(C)C[C@@H]2Br)cs1	906887083	XZQJFHNVNQABCM-KWQFWETISA-N	318.240	1.999	50	20	DDGD	
CC(C)C[C@@H](CN1CCCC1)NC(=O)NNc1ncncc1F	836535612	BUWHXLCTVMXWEU-LBPRGKRZSA-N	324.404	1.752	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNC(=O)COc1cccc(C)c1	836194598	PUNGOCBRPKJICQ-KGLIPLIRSA-N	319.361	1.048	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CCCN(C(N)=O)C2)c(Cl)c1	836938283	JTCANNMBFVMIQA-SNVBAGLBSA-N	310.785	1.882	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2c(C)cnn2C)c1C	839489202	ZLNHDQYWUAENDX-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
CC[C@@H](NCc1ccc(B(O)O)cc1)[C@@H](O)c1ccccc1F	585026416	GSRUHPGBZJYYST-SJORKVTESA-N	317.169	1.107	50	20	DDGD	
CC(=O)N[C@@H](CC(=O)NNC(=O)C1CCC1)c1cccs1	732141003	HIJQTHUAKYGROY-NSHDSACASA-N	309.391	1.263	50	20	DDGD	
CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCB(O)O	585062871	OXTJFDMTDVZDLN-JTQLQIEISA-N	303.089	1.402	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1nc(C(C)(C)C)n[nH]1	838755780	FRVQGZKFNYQFNI-UHFFFAOYSA-N	310.402	1.369	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2CCCc3nn[nH]c32)cccc1[N+](=O)[O-]	830810087	GXSIPUUJHSBNFA-SECBINFHSA-N	316.321	1.585	50	20	DDGD	
Cc1nonc1C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	736683181	QPRFPOVORUJXMU-UHFFFAOYSA-N	320.696	1.838	50	20	DDGD	
COc1cc(C)ccc1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	831347215	RDEYIYVYYUCKAO-GHMZBOCLSA-N	307.350	1.581	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCOc2ccc(OC)cc2C1	836852725	KQSOEBAOUSXJFX-ACCUITESSA-N	302.330	1.860	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)Cc2ccc(F)cc2)o1	915260023	WILVCJQYOQZKQG-UHFFFAOYSA-N	319.336	1.843	50	20	DDGD	
CCOC(=O)C(C)(C)ONC(=O)[C@@]1(C)C[C@@H]1Br	912268207	KGOMBLPNEVOIFH-CPCISQLKSA-N	308.172	1.549	50	20	DDGD	
CC(C)CO[C@H](C)C(=O)NNC(=O)COCc1ccccc1	737629447	QXYLRZUSQGDGSD-CYBMUJFWSA-N	308.378	1.412	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1ccc2ccccc2c1O	833384682	LRDYXMXQLOBLRZ-UHFFFAOYSA-N	301.302	1.653	50	20	DDGD	
COc1cc(O)c(C=NNC(=O)[C@H]2CCCCO2)cc1OC	834984768	DCZMVURICSBLFR-GFCCVEGCSA-N	308.334	1.429	50	20	DDGD	
C=C[C@@H]1OCCC[C@H]1NC(=O)NNc1cccc(C(=O)OC)c1	838679663	BQCWHEGJQXJCTA-KGLIPLIRSA-N	319.361	1.833	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2nc(C)nn2C)cc1C	836212467	SWIABWJEIHLZSF-UHFFFAOYSA-N	317.349	1.366	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)COC[C@@H]2CCCO2)o1	749941534	HNWIGLKNPOLYCK-JTQLQIEISA-N	308.338	1.308	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@H](C)c2cnccn2)cc1	911878588	ZCQWFGKHZZVWSY-LLVKDONJSA-N	314.345	1.439	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=C1CCN(CC(F)(F)F)CC1	842555287	LJRCBJFNOGPFMH-GXSJLCMTSA-N	307.316	1.542	50	20	DDGD	
Cn1ccnc(NNC(=O)c2occc2-c2ccccc2)c1=O	747946176	WBKCZTLZHPTIJQ-UHFFFAOYSA-N	310.313	1.797	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc(OCC#N)cc1	744747396	LRYYZBCLUPFMNW-UHFFFAOYSA-N	302.378	1.771	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCn1cccc1	746098641	WTRUPAXZKCPNFR-GFCCVEGCSA-N	319.336	1.632	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H]2CCN[C@@H](C)C2)cccc1[N+](=O)[O-]	841986265	MFMAQOAOZBYUFB-GXSJLCMTSA-N	307.354	1.670	50	20	DDGD	
COc1cc(C=NNC(=O)C(=O)NC(C)C)cc(Cl)c1O	744817196	GDHZHEJQQYMMDZ-UHFFFAOYSA-N	313.741	1.029	50	20	DDGD	
Cc1nc(NC2CC2)sc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	844145828	FXBDJPQGUCXGSG-WCBMZHEXSA-N	324.406	1.212	50	20	DDGD	
CC[C@@H](CC(=O)NNc1ccccc1S(N)(=O)=O)C(C)C	842262373	TXMROGNDYJXVPY-NSHDSACASA-N	313.423	1.849	50	20	DDGD	
CC(=NNC(=O)C(=O)NC(C)C)c1ccc2ccccc2c1O	744812373	MJPNSMIPJZLVKK-UHFFFAOYSA-N	313.357	1.910	50	20	DDGD	
CCC(=NNC(=O)Cc1cc(O)nc(O)n1)c1ccc(F)cc1	743447591	KAHNJMVSDFIZMS-UHFFFAOYSA-N	318.308	1.500	50	20	DDGD	
C[C@H](C(=O)NNc1c(F)cccc1F)[C@@H](C)S(C)(=O)=O	841409576	SSZGEXFUKLZCSC-JGVFFNPUSA-N	306.334	1.477	50	20	DDGD	
O=C(O)Nc1ccccc1C(=O)NNC(=O)Cc1cccnc1	740045841	NKXRBALDNNQENE-UHFFFAOYSA-N	314.301	1.175	50	20	DDGD	
CC(C)CCC1CCN(C(=O)NNC(=O)c2ncccn2)CC1	841592912	ZVWUXKQEUIMLHE-UHFFFAOYSA-N	319.409	1.979	50	20	DDGD	
Cc1ccc2c(c1)O[C@H](C)CN2CC(=O)NNC(=O)C(C)(C)C	748835164	VZHDXLJBGWKUNN-GFCCVEGCSA-N	319.405	1.776	50	20	DDGD	
CN(C)C(=O)CCCNC(=O)NNc1ccc(F)c(F)c1	914362375	UNZYMOHZGBUUAZ-UHFFFAOYSA-N	300.309	1.459	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)C[C@@H]1CCOC1	740177818	UPJYXONYALEJOB-JTQLQIEISA-N	309.391	1.439	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccccc2)cc1	744491339	KWMSWWSTFPACFP-UHFFFAOYSA-N	323.308	1.176	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1	749172560	FANAKRIQVIXHSN-CQSZACIVSA-N	319.409	1.034	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	843663659	ZEPHTAIWBLVWII-OADPDTJPSA-N	313.357	1.234	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)c2ccccc2F)CCCNC1	841970097	JGJUPFAFAWFWMN-OAHLLOKOSA-N	308.357	1.159	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H](C)c1ccco1	741663128	WWGMDJKKWRDNHG-SNVBAGLBSA-N	312.329	1.800	50	20	DDGD	
CCN[C@H](C)CNC(=O)NNC(=O)Nc1cc(F)cc(F)c1	841984373	AZBIRSFSNMLCCD-MRVPVSSYSA-N	315.324	1.299	50	20	DDGD	
CCN[C@H](C)CNC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	841984615	DTNQDTSDGMRWRH-LLVKDONJSA-N	322.413	1.086	50	20	DDGD	
C[C@H]1CC(=NNC(=O)Nc2ccc(N(C)C)cc2)c2ncnn21	841626578	SXOJPZTVBHZIDD-JTQLQIEISA-N	313.365	1.835	50	20	DDGD	
CC(C)Oc1ccccc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843650351	BJZWWAHUIISDKH-RYUDHWBXSA-N	306.362	1.660	50	20	DDGD	
C[C@@H](N)CNC(=O)NNc1ccc(C#N)cc1C(F)(F)F	841983975	GVGCAXVEATWRGF-SSDOTTSWSA-N	301.272	1.550	50	20	DDGD	
CC[C@H](C)c1nc(C)c(CC(=O)NN(C)CCOC)c(C)n1	848055733	GNJXYJKETCLPMV-NSHDSACASA-N	308.426	1.759	50	20	DDGD	
O=C(NNc1ncccn1)C1CC(O)(c2cccc(Cl)c2)C1	858318865	UTYVTVAWPMZKKV-UHFFFAOYSA-N	318.764	1.871	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ncoc2-c2ccon2)n1	857486084	GKCBQDKVKITQAO-UHFFFAOYSA-N	321.684	1.112	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(F)cc1F	853388927	WRHITVLIRZDAMZ-DOMZBBRYSA-N	323.343	1.668	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53	857357703	APUFKFAYXOJNGM-DIJRRZNFSA-N	316.792	1.967	50	20	DDGD	
Cn1cncc1CCC(=O)NC[C@@]1(C)C[C@H]1Br	857390427	DVUFLRVWBILUAU-ZYHUDNBSSA-N	300.200	1.642	50	20	DDGD	
O=C(Cc1ccc2c(c1)OCO2)NNc1ncccc1[N+](=O)[O-]	759289362	CEEUTLVKTOHESP-UHFFFAOYSA-N	316.273	1.404	50	20	DDGD	
O=C(CO)NNC(=O)CSc1ccc2c3c(cccc13)CC2	753445645	RRPJIGYXVXZJTR-UHFFFAOYSA-N	316.382	1.170	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2nnc3n2CCCC3)cc1F	853450761	LVGALKSMNPETOF-UHFFFAOYSA-N	318.356	1.888	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(C(F)(F)F)ccc1NC	854928984	UVKTZFKAXNQAQW-UHFFFAOYSA-N	320.340	1.828	50	20	DDGD	
O=C(NNC(=O)[C@@]12CCC[C@@H]1C2)c1ccc2c(c1)OCCO2	929586486	PBBYTSJLBYAVIJ-BDJLRTHQSA-N	302.330	1.409	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2C[C@@H]2C2CC2)c1	751213229	UUWHMAQMOIVVRJ-KGLIPLIRSA-N	304.346	1.511	50	20	DDGD	
O=C(CCCNC(=O)NNc1ccc(Cl)cn1)NC1CC1	851985555	YFXKHAKCBJKTRC-UHFFFAOYSA-N	311.773	1.420	50	20	DDGD	
CNC(=O)CC1(CNC(=O)NNc2cccnn2)CCCCC1	852650879	UDUAQWTXMDKZAE-UHFFFAOYSA-N	320.397	1.189	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NNc2nc3ccccn3n2)C1	857863856	DNSSZVZKOFGLAA-MWLCHTKSSA-N	311.349	1.262	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCC1(N(C)C)CC1)c1ccccc1	923008443	ZONFYMDAQFVMRV-AWEZNQCLSA-N	318.421	1.605	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NNC(=O)NC1CC1	858778611	PDJFHQUWZOUASR-SECBINFHSA-N	314.386	1.125	50	20	DDGD	
CC(C)C=NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	755542110	JOHXCZPMJBKSBK-UHFFFAOYSA-N	323.418	1.843	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(F)ccc2OC)nc1	759726474	YEZQVBNRRZKIQD-UHFFFAOYSA-N	319.292	1.773	50	20	DDGD	
CCNC(=O)NN=Cc1c(C)nn2c(=O)c3ccccc3[nH]c12	920825112	LXXJLMJEUGZKSR-UHFFFAOYSA-N	312.333	1.137	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1nc(C)sc1C	750937655	ZPABGTLCNYHYEU-UHFFFAOYSA-N	320.374	1.623	50	20	DDGD	
COCCCOCCC(=O)NNc1ncccc1C(F)(F)F	857132339	BINWLLADCRRTCE-UHFFFAOYSA-N	321.299	1.987	50	20	DDGD	
NC(=O)NCc1ccc(C(=O)NN=c2cc[nH]cc2Cl)cc1	757417410	ASURCKUXOJMWBQ-UHFFFAOYSA-N	319.752	1.082	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)c2cccn2C)cc1	755826833	BNZDUTPCTYYKTM-UHFFFAOYSA-N	316.317	1.278	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)CC[C@@H]1NC(=O)NC1=O	854843579	SGEXNBIUTRBPCF-VIFPVBQESA-N	310.741	1.080	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cscc1Br	854921700	XAVUKHCCXNLNLS-UHFFFAOYSA-N	308.226	1.592	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1	929241913	GYXWSQHOIDZGRO-NEPJUHHUSA-N	320.374	1.380	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1cccc(Cl)n1)C1CCOCC1	853410192	FAKJKWGAJGHHMA-LBPRGKRZSA-N	311.769	1.892	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cccc(OC(F)(F)F)c1	755613248	AMHDEXGTCNXOPO-UHFFFAOYSA-N	307.228	1.384	50	20	DDGD	
COc1ccc(C(=O)NCCCSC#N)cc1OCCO	854358994	AEVRLAYZUYXEMQ-UHFFFAOYSA-N	310.375	1.400	50	20	DDGD	
Cc1ccc2[nH]cc(C=NNC(=O)C(=O)Nc3ccccn3)c2c1	758390670	TWDRRZQCMOSTIH-UHFFFAOYSA-N	321.340	1.960	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCC1(N2CCOCC2)CC1	854024946	KRJRWOYXXUCEOC-UHFFFAOYSA-N	322.384	1.625	50	20	DDGD	
CCC[C@H](C(=O)NNC(=O)CN(C)C)c1ccc(Cl)cc1	857108246	DCEJKPASLKNGKT-ZDUSSCGKSA-N	311.813	1.933	50	20	DDGD	
NC(=O)NCCC(=O)NNc1cc(C(F)(F)F)ccc1F	754495036	IBGPGBPRFCQYDB-UHFFFAOYSA-N	308.235	1.346	50	20	DDGD	
CCCCN(C)S(=O)(=O)NC[C@]1(C)C[C@H]1Br	856755154	ANSFWNSYPUZIJO-ZJUUUORDSA-N	313.261	1.726	50	20	DDGD	
COc1cccc([C@@H](CNC(=O)NNC(=O)C(C)C)OC)c1	858653310	TYZZTFFFMVRJSI-CYBMUJFWSA-N	309.366	1.369	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccc2nc[nH]c2n1)c1ccccc1	755309942	LHKUWAZACQYEKX-LBPRGKRZSA-N	323.356	1.913	50	20	DDGD	
COC(=O)CCC(C)=NNC(=O)[C@@H](C)CN1CCCCCC1	756875059	BAJZTGPSUGZFNR-ZDUSSCGKSA-N	311.426	1.944	50	20	DDGD	
COC(=O)NNC(=O)[C@H](C(C)C)N1Cc2ccccc2C1=O	856756817	FFPIYDFBZLOEQA-LBPRGKRZSA-N	305.334	1.054	50	20	DDGD	
C[C@H]1CC(=NNC(=O)CCCNC(=O)C(C)(C)C)CN1C1CC1	853407186	JEFLVVOQKWYSRR-LBPRGKRZSA-N	322.453	1.658	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)NC1(C(F)(F)F)CCOCC1	932296875	ULODBHNMHMNZJF-QMMMGPOBSA-N	311.304	1.474	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1ccccc1F	750939071	YWLRDHMJUXHHQA-UHFFFAOYSA-N	303.293	1.689	50	20	DDGD	
CCN(CC(C)(C)O)C(=O)NC[C@@]1(C)C[C@@H]1Br	856954845	UWNQJNADGKACRE-JOYOIKCWSA-N	307.232	1.962	50	20	DDGD	
Cn1ncc(C2CC2)c1CNC(=O)NNC(=O)CC(C)(C)C	852577294	CLCMHZZEGUVTBQ-UHFFFAOYSA-N	307.398	1.564	50	20	DDGD	
O=C(NCC(Cl)Cl)c1ccc2c(c1)C(=O)NCCO2	935967869	LMZRECQOOGDXAN-UHFFFAOYSA-N	303.145	1.342	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C[C@H]1CC(=O)Nc2ccccc21	935291780	YOIGJAYOZGUJMJ-SNVBAGLBSA-N	304.350	1.195	50	20	DDGD	
O=C(Cc1csc2nccn12)NNc1ncccc1[N+](=O)[O-]	768232998	VFWZSQSAQFMXQU-UHFFFAOYSA-N	318.318	1.385	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1CC(c2ccccc2)=NO1	764464111	LOWRDIDVKUZIDS-LBPRGKRZSA-N	313.317	1.122	50	20	DDGD	
C/C=C/C=C/C(=O)OCC(=O)NNC(=O)Cc1ccccc1C	767255823	FMIIFXUIRPSRSV-COBAKMAKSA-N	316.357	1.360	50	20	DDGD	
C[C@H](C=NNC(=O)CNC(=O)c1cccnc1)c1ccccc1	763199165	NHNPXMZXVUICHZ-CYBMUJFWSA-N	310.357	1.717	50	20	DDGD	
C[C@@H](C(=O)N(C)NC(=O)OCc1ccccc1)c1cnn(C)c1	862287403	NNPQVYNKVGAVHA-GFCCVEGCSA-N	316.361	1.823	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNC(=O)Cc2ccc(F)cc2)n1	864516025	IUFYRRYICZWLHJ-NSHDSACASA-N	318.352	1.357	50	20	DDGD	
Cc1cc(C(=O)NNc2ncc(F)cn2)c2c(C)n[nH]c2n1	760911215	ADTWYNXFSTZLSL-UHFFFAOYSA-N	301.285	1.261	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCc2cn[nH]c2)cc1C	863851918	UTLNWRJAMNOXBX-UHFFFAOYSA-N	316.361	1.186	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCCO2)c1ccnn1C	766009101	BZISBEXTOJTTJI-UHFFFAOYSA-N	300.318	1.345	50	20	DDGD	
O=C(NNc1cccc(F)n1)NC1(C(F)(F)F)CCOCC1	932301156	YNEAOCPRASGKSR-UHFFFAOYSA-N	322.262	1.958	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1csc2cncn12	863095430	PRIJZNYUNXDXOQ-UHFFFAOYSA-N	314.239	1.828	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C	765314511	KYAAVAXYAKUMNZ-UKRRQHHQSA-N	318.421	1.493	50	20	DDGD	
C[C@H](NNC(=O)Cn1cnc(-c2ccccc2)n1)C(F)(F)F	862316587	REPXGKXKBRMJKR-VIFPVBQESA-N	313.283	1.517	50	20	DDGD	
CCO[C@H]1COCC[C@@H]1NC(=O)NNc1ccc(Cl)nc1	760133547	JSQNHQPPNYSBTF-QWRGUYRKSA-N	314.773	1.555	50	20	DDGD	
COCC(=NNC(=O)[C@H]1CCC(=O)N1)c1ccc(Cl)cc1	863150372	SQWUGBWHJCEIKV-LLVKDONJSA-N	309.753	1.085	50	20	DDGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCN2C(=O)CC[C@@H]2C1	766267833	AJHNLRMXHUXJHU-UMJDEASPSA-N	312.329	1.766	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2CSC[C@H]2C)cc1	1117420191	TWOCYMUNFZIODO-BXKDBHETSA-N	309.391	1.391	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2CCN(C)C2=O)c(C)c1	873759509	VQVYRPRHZMSWED-NSHDSACASA-N	320.418	1.099	50	20	DDGD	
CC(CCc1ccsc1)=NNC(=O)Cc1cc(O)nc(O)n1	764910925	VHEDSTFAYMKLGB-UHFFFAOYSA-N	320.374	1.617	50	20	DDGD	
N#CCCCNC(=O)NNC(=O)c1cncn1-c1ccccc1	1116550739	HRLQQXOMXNSFHC-UHFFFAOYSA-N	312.333	1.120	50	20	DDGD	
CNC[C@H](C)CNC(=O)NNc1ccc(C(=O)OC)c(F)c1	1117967145	SGOIDXXQQPJVOW-VIFPVBQESA-N	312.345	1.094	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2csc(N3CCOCC3)n2)CCO1	773194224	WQEANZHFXFFVBA-SNVBAGLBSA-N	324.406	1.264	50	20	DDGD	
Cc1ccc(S(C)(=O)=O)cc1NC(=O)NNc1ccccn1	779009352	AJAXOCKIIYNQSF-UHFFFAOYSA-N	320.374	1.942	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@H]1CCS(=O)(=O)C1	777478259	STJFPAJGEDISGV-LBPRGKRZSA-N	319.386	1.421	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)N[C@@H]2CC23CCC3)c1	876426442	RQGYFAIXHSFVQM-GFCCVEGCSA-N	309.391	1.659	50	20	DDGD	
Cc1cc(-n2c(C)cc(C(=O)NNc3cccnn3)c2C)no1	779206438	LYJMHSSERDXBQT-UHFFFAOYSA-N	312.333	1.937	50	20	DDGD	
CN(C)c1cnc(C(=O)NNc2cccc([N+](=O)[O-])c2)cn1	779675165	UQYYCTCLDNRCPF-UHFFFAOYSA-N	302.294	1.208	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C1CCCCc2ccccc2C1	872393698	DXJIUXZTJKCWRA-UHFFFAOYSA-N	308.403	1.472	50	20	DDGD	
CCCC(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	773411887	BIOUNDMWDGDBKH-NSHDSACASA-N	313.398	1.581	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1cccc2ncccc12	876387085	QLSYXUKTLVYGHX-UHFFFAOYSA-N	302.334	1.102	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCc2ccncc2C)c1	875424898	QZKQYTFEIORBCG-UHFFFAOYSA-N	318.402	1.947	50	20	DDGD	
CC(=NNC(=O)c1ccc(-n2cnnn2)cc1)c1cnccc1C	771550285	MLWULJWCKJCAMS-UHFFFAOYSA-N	321.344	1.520	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)c1cc(Cl)ccc1O)C(C)C	771716503	GDGIXYVCXGDCTM-LLVKDONJSA-N	300.742	1.478	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1ccc(OC(F)F)cn1	776152612	JTMAYVSMCOIPEJ-UHFFFAOYSA-N	315.667	1.883	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNc2ncnc3[nH]cnc23)c(F)c1	777523094	GZWHPLDXUYKXGI-UHFFFAOYSA-N	314.280	1.452	50	20	DDGD	
CN(C)c1cnc(C(=O)NNC(=O)c2c[nH]c3ccccc23)cn1	770550625	XHSBJTISFCUXQR-UHFFFAOYSA-N	324.344	1.099	50	20	DDGD	
Cc1ccc2[nH]c3c(c2c1)CC(=NNC(=O)C(=O)NC1CC1)CC3	778540071	JVCORGFMCGCYOB-UHFFFAOYSA-N	324.384	1.716	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCc1nnnn1CC1CCOCC1	786675640	LFWSQCDRQPUHKG-NTUHNPAUSA-N	317.349	1.003	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccn(C2CCCC2)n1	883066488	YWHKFWWMQCNLLT-UHFFFAOYSA-N	306.366	1.186	50	20	DDGD	
Cn1nc(C(F)(F)F)c(C=NNC(=O)C(F)F)c1Cl	782237855	OYDOEXANVHYKMM-UHFFFAOYSA-N	304.606	1.808	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1CCO[C@H]1c1ccncc1	887150467	LSFVJUMSUYKCDG-HIFRSBDPSA-N	301.346	1.110	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccco1)c1ccc(Cl)cc1F	783529975	QJXAZKUBTZMSMC-UHFFFAOYSA-N	318.713	1.695	50	20	DDGD	
C[C@@H](Cc1ccccc1)NC(=S)NNC(=O)c1ccc[nH]1	786063699	WUKNRTHMWKFAQE-NSHDSACASA-N	302.403	1.755	50	20	DDGD	
COC(=O)COc1ccccc1/C=C(\C#N)C(=O)NCC(C)C	899343425	WYMQLFNUZGXWBQ-RIYZIHGNSA-N	316.357	1.918	50	20	DDGD	
C=C(C)COc1cc(C=NNC(=O)C(C)(C)O)ccc1OC	785463935	XPEQFHGFSCBCOB-UHFFFAOYSA-N	306.362	1.871	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccn(Cc2ccccn2)n1	785848636	HSBLYNOZWVWQPY-UHFFFAOYSA-N	317.353	1.024	50	20	DDGD	
Cc1nc2ccccn2c1CNC(=O)NNC(=O)C(C)(C)C	898971640	DANRRPHAUJYKHB-UHFFFAOYSA-N	303.366	1.519	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cc([N+](=O)[O-])ccc1O	781831540	JEXUBYARILZZNR-UHFFFAOYSA-N	309.669	1.501	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cnc(Cl)c(Cl)c1	894097175	DLYPBHWOMNPTGY-UHFFFAOYSA-N	318.160	1.576	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)CSc2ccccc2O)CO1	784460380	YBJQPFQPTVUENG-ZJUUUORDSA-N	310.375	1.057	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cnc(C)n2C)cc1C	899940571	QWNFIWTWOKHXPD-UHFFFAOYSA-N	316.361	1.185	50	20	DDGD	
CN1CCCC[C@H]1CNC(=O)NNc1ncnc2ccsc12	1263241080	BCFGQLZXOXUHRC-JTQLQIEISA-N	320.422	1.802	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NN=Cc3cn(C)cn3)n[nH]2)cc1	794493733	KSFFJBQOEWXWOX-UHFFFAOYSA-N	308.345	1.883	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)c1ccc2c(c1)OCO2	792788670	DCKXAGHLPSLLJN-RNCFNFMXSA-N	308.334	1.237	50	20	DDGD	
CC(C)(C(=O)NNC(=O)COc1ccccc1O)C(F)F	792147172	INWZLSWKNZVESF-UHFFFAOYSA-N	302.277	1.210	50	20	DDGD	
COc1c(C(=O)NNC(=O)c2cccnc2)cccc1[N+](=O)[O-]	792772132	DPTPYSQYKNOGRY-UHFFFAOYSA-N	316.273	1.073	50	20	DDGD	
C[C@@H]1CCC[C@H]1CNC(=O)NNC(=O)COc1ccccc1F	798509765	XAGNJHYHMCENAD-NEPJUHHUSA-N	323.368	1.971	50	20	DDGD	
N#Cc1ccc(S(=O)(=O)NNC(=O)C2CCCC2)cc1F	793357140	JMOMXBMIUQFMBY-UHFFFAOYSA-N	311.338	1.197	50	20	DDGD	
CN(CC(=O)NNc1cccc(F)c1[N+](=O)[O-])C(=O)C1CC1	791075546	FZSQHHQNKKEFEM-UHFFFAOYSA-N	310.285	1.045	50	20	DDGD	
CC(C)C1CCC(C=NNC(=O)Cc2cc(O)nc(O)n2)CC1	794914672	KXPCEXPTLSWLKF-UHFFFAOYSA-N	320.393	1.995	50	20	DDGD	
CC(C)[C@H](C)C(=O)NNC(=O)c1cncn1-c1ccccc1	1318450519	GQZUKLZSTDIKAJ-LBPRGKRZSA-N	300.362	1.925	50	20	DDGD	
CC(C)c1oc(-c2ccccc2)nc1C(=O)NNC(=O)CO	1323782280	FMUDRZRWVTWXNF-UHFFFAOYSA-N	303.318	1.218	50	20	DDGD	
CCC[C@H](CC)S(=O)(=O)NNC(=O)c1ccc(OC)cc1	1326715859	OACLLSZDUNEVPY-ZDUSSCGKSA-N	314.407	1.838	50	20	DDGD	
CCN(Cc1ccccc1F)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	1326299872	UFFAPUNMEGTSSN-WCQYABFASA-N	323.368	1.813	50	20	DDGD	
C[C@@H]1CC[C@@H](CNC(=O)NNC(=O)c2ccccc2Cl)O1	1324699977	GRIASJOOKWHEJN-ZJUUUORDSA-N	311.769	1.852	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2nccc(Cl)c2F)cc1	1325929539	KJFCGPZSCIQKEQ-UHFFFAOYSA-N	318.695	1.821	50	20	DDGD	
COC(=O)C(=O)NN=C(C)CCCCNC(=O)OC(C)(C)C	1323949010	RPDHMGWYTIVOTD-UHFFFAOYSA-N	315.370	1.347	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cccc([N+](=O)[O-])c1Cl	1328688502	BVYOYVOESHIEFO-UHFFFAOYSA-N	316.770	1.766	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(CC#N)cc2)o1	1252734025	ZKCBEHWDOPRJFP-UHFFFAOYSA-N	319.342	1.277	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2CCCN2CC(C)C)n1	1337212594	XOSRXBNFGVHTAI-AWEZNQCLSA-N	304.394	1.271	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1cnc(C2CC2)[nH]1	1332398889	FKIKFLYNKTXKJV-UHFFFAOYSA-N	302.309	1.430	50	20	DDGD	
Cc1cc(=NNC(=O)Nc2c(C)cnn2CC2CC2)cc[nH]1	1335168727	GAOHTBQZBIPHPD-UHFFFAOYSA-N	300.366	1.875	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)cc1	1334548521	JHLHYXPUJNKAPW-OPTZYUCBSA-N	300.358	1.748	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2ccnc3ccnn23)nn1	1348469271	ZKWQUTDKKYTCPV-UHFFFAOYSA-N	311.349	1.574	50	20	DDGD	
C[C@H](CCN1CCN(C)CC1)NC(=O)C1CCC(Cl)CC1	1348243465	MGNOFKWWZSEXCO-WLYUNCDWSA-N	315.889	1.926	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)cn1)Nc1ccc([N+](=O)[O-])cc1	1601557939	BFBDXXUCPPMQHE-UHFFFAOYSA-N	317.261	1.837	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cc(C(=O)O)co2)n1	1609999246	OXNIGEOTXHHQOO-UHFFFAOYSA-N	319.321	1.371	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])Nc1ccc(C(=O)O)cn1	1601561764	YUYJNDCVLKCNIW-UHFFFAOYSA-N	317.261	1.837	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cnn3ccncc23)cc1F	1602384548	PWCLMFBBUUFVMC-UHFFFAOYSA-N	315.264	1.324	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)N[C@H]2CCCOCC2)cc1	1608781293	WOFIQKOFMYNBGF-LBPRGKRZSA-N	307.350	1.509	50	20	DDGD	
COc1c(NC(=O)NNC(=O)CCC(C)C)cccc1C(=O)O	1607034630	NDYZORARZADZHO-UHFFFAOYSA-N	323.349	1.982	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CCC(=O)O)ccc1OC(C)C	1611029241	RPYGWWKGURPVQC-UHFFFAOYSA-N	324.333	1.108	50	20	DDGD	
C[C@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Cl)C2	1802288596	AINRVUNFJYJVJV-GENCIFFESA-N	308.806	1.477	50	20	DDGD	
CCn1cc([C@H]2OCC[C@@H]2C=NNC(=O)N2CCOCC2)cn1	1552447755	WVCPDNZJSRHGAW-OCCSQVGLSA-N	321.381	1.008	50	20	DDGD	
C[C@@H]1Cn2nc(C(=O)NNc3ccc([N+](=O)[O-])cc3)cc2CN1	1576872174	STOYLUFHPBTKTJ-SECBINFHSA-N	316.321	1.040	50	20	DDGD	
CN(N)C(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F	1573877364	NYPLSAXEMZXTFQ-LLVKDONJSA-N	319.308	1.768	50	20	DDGD	
CC(C)(C(=O)NNC(=O)C[C@H]1CC[C@@H](N)C1)c1ccccc1	1575092589	PLNUOWRLUIUIDL-GXTWGEPZSA-N	303.406	1.629	50	20	DDGD	
CC(C)OC(=O)NN=C1CCCc2cc(-c3nn[nH]n3)cnc21	1589736178	QQBYNFXKJRMMGV-UHFFFAOYSA-N	315.337	1.437	50	20	DDGD	
CC(C)[C@@H](C(=O)O)C(=O)NNc1ccc(-c2ccccc2)nn1	1588808118	JNPJXXKEGMMTEX-CQSZACIVSA-N	314.345	1.944	50	20	DDGD	
O=C(NNC(=O)[C@@H]1NCC[C@@H]2CCCC[C@@H]21)c1cccc(F)n1	1580736610	ZIUQDCQMJGWIMU-COPLHBTASA-N	320.368	1.150	50	20	DDGD	
Cn1cccc1C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843363279	XICDDRPLZJYAOZ-LLVKDONJSA-N	313.760	1.377	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCc2ccc(CN)cc2)c1	1580073601	BFVJLKXCCSLHQF-UHFFFAOYSA-N	323.356	1.161	50	20	DDGD	
N[C@@H]1CCCCCC[C@H]1C(=O)NNC(=O)c1cccc(F)n1	1580183108	LUVGDSAQAXKIFA-GHMZBOCLSA-N	308.357	1.279	50	20	DDGD	
CSCC[C@H](O)C(=O)NNc1cccc(C(=O)O)c1F	1599796624	ROVQVSNZGWEGFT-VIFPVBQESA-N	302.327	1.081	50	20	DDGD	
COc1ccc2cc(C=NNC(=O)NCC(=O)O)ccc2c1	1599635955	YRVJUVBSDAFJLA-UHFFFAOYSA-N	301.302	1.566	50	20	DDGD	
CCOC1CC2(C1)C[C@H]2C(=O)NNc1ncccc1C(=O)O	1591762153	LIOKGPNLXZUGHH-UQACVICXSA-N	305.334	1.428	50	20	DDGD	
O=S(=O)(CCl)Oc1ccc(-c2nn[nH]n2)cc1Cl	1593420947	NGVJLSLNYKQZMC-UHFFFAOYSA-N	309.134	1.425	50	20	DDGD	
COc1ccc(NNC(=O)Nc2cccc(C(=O)O)c2)nc1	1594105170	GESMDMONSSXBGG-UHFFFAOYSA-N	302.290	1.937	50	20	DDGD	
CC[C@@H]1CCC[C@]1(C)C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1590506085	CMOSRXZMQOIKOO-ABAIWWIYSA-N	315.381	1.921	50	20	DDGD	
N#Cc1sccc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	1592711568	IWBIYPJQUQMION-UHFFFAOYSA-N	311.330	1.557	50	20	DDGD	
COC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl	1796804713	OYSJIKJJAKIVLR-HHHUOAJASA-N	320.792	1.442	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	158831979	CMJZQRNZXUDKEZ-RNCFNFMXSA-N	319.317	1.361	50	20	DDGD	
CN(CC(=O)NC1CC1)/C(=C/C#N)c1ccc([N+](=O)[O-])cc1	152892270	CIDCNUFRXKVALC-RIYZIHGNSA-N	300.318	1.670	50	20	DDGD	
COc1cccc([C@@H](O)C(=O)NNc2ccccc2[N+](=O)[O-])c1	154220155	QYMPTSLAPSKPMD-CQSZACIVSA-N	317.301	1.780	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1	154869649	HTMAWSCPQLCPKC-SNVBAGLBSA-N	317.305	1.273	50	20	DDGD	
CCO[C@@H](C(=O)NCCSSCCC(=O)O)C1CC1	2088604146	WLUKLPOGPIYTCK-LLVKDONJSA-N	307.437	1.774	50	20	DDGD	
Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccs2)o1	28629788	YNWFEXQRDSATRI-UHFFFAOYSA-N	308.315	1.268	50	20	DDGD	
O=C(CN1CCCc2ccccc2C1)NNC(=O)c1ccccc1	106887774	ZVXXBSBBWVWPBU-UHFFFAOYSA-N	323.396	1.896	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCOc2cccnc2)n1	114533222	VUUXYFJVXYVQDU-UHFFFAOYSA-N	302.338	1.194	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1ccc(F)cc1F	113430786	ORGUWWDVMBJLJV-UHFFFAOYSA-N	301.293	1.886	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)c1cc(Cl)ccc1O	176124125	SOUZREVDRHDSNE-UHFFFAOYSA-N	305.721	1.824	50	20	DDGD	
C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)NNC(=O)c2cn[nH]c2)C1	1348123227	TXBDDQUSPJUXKP-MFKMUULPSA-N	314.349	1.242	50	20	DDGD	
O=C(CCc1nc2ccccc2[nH]1)NNC(=O)NCC1CC1	65192897	LIBGZGLIDIBYFX-UHFFFAOYSA-N	301.350	1.236	50	20	DDGD	
CC(C)[C@H](NC(=O)NNc1cccnn1)c1nc(C2CC2)no1	172461436	PUHWNYMNWYWITB-NSHDSACASA-N	317.353	1.760	50	20	DDGD	
COCCCNC(=O)NNC(=S)Nc1ccc(C)c(C)c1	64937359	JGGHDYRSPDOUAC-UHFFFAOYSA-N	310.423	1.841	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1ccc2c(c1)OCCO2	302902313	VWNFHNSECJHFIB-GVXVVHGQSA-N	316.357	1.655	50	20	DDGD	
O=C(COCC(F)(F)F)NNC(=O)Cc1ccccc1F	66774904	JBIASPDPWQOZOX-UHFFFAOYSA-N	308.231	1.095	50	20	DDGD	
O=C(CNc1ccccc1[N+](=O)[O-])NNc1ccnc(F)c1	182413951	QEVLYEODIJPYCF-UHFFFAOYSA-N	305.269	1.684	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)Cc2ccsc2)nc1C	182723507	JFICKTRDEQFOSL-UHFFFAOYSA-N	320.374	1.709	50	20	DDGD	
COC1(C(=O)NNC(=O)c2cccc(N(C)C)c2)CCCCC1	185015124	OGZWAVPLZODOAY-UHFFFAOYSA-N	319.405	1.863	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCC(CC(N)=O)CC1	182253703	ZPHAONSJPLULQI-ZROIWOOFSA-N	315.348	1.847	50	20	DDGD	
Cc1c(C(=O)NNc2ccccn2)cc([N+](=O)[O-])cc1[N+](=O)[O-]	181168640	RWOLDHQNNDBXLC-UHFFFAOYSA-N	317.261	1.963	50	20	DDGD	
Cn1cc(CNC(=O)NNc2ncccn2)c(-c2ccccc2)n1	184113999	ZQJGVCYKCCIRPR-UHFFFAOYSA-N	323.360	1.703	50	20	DDGD	
COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NNc2cccnn2)c1	187876920	PDGGXDMEXULHHM-WCQYABFASA-N	314.345	1.741	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1c(C)ccn1C	188896600	XFRBLDFSYOYWDA-UHFFFAOYSA-N	317.345	1.182	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)COC2CCCCC2)cc1	76949633	AICDYIOLQRLMCF-UHFFFAOYSA-N	319.405	1.904	50	20	DDGD	
CN(CCS(C)(=O)=O)C(=O)/C(C#N)=C\c1ccc(F)cc1	182622812	HKAPQORNWBVGIG-XFXZXTDPSA-N	310.350	1.236	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)C[C@@H]1CCCO1	76269648	XWYNVVJBHRZKLE-JTQLQIEISA-N	312.753	1.679	50	20	DDGD	
CN(CCN1CCOCC1)C(=O)/C(C#N)=C\c1ccc(F)cc1	182603569	ZERPRUJOZLZVEZ-QINSGFPZSA-N	317.364	1.523	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccn(-c2ccc(F)cc2F)n1	184003883	GFUCXYKCAXKXOB-UHFFFAOYSA-N	309.276	1.067	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)o1	131950347	PLMIILNWOLRZTJ-UHFFFAOYSA-N	305.246	1.731	50	20	DDGD	
CC(=O)NNC(=O)c1nc(C)n(-c2ccccc2C(C)C)n1	195487474	PGGGBUSCEVMZKI-UHFFFAOYSA-N	301.350	1.480	50	20	DDGD	
O=C(O)CCCCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	196041964	RCEGXCKFCQHJBO-UHFFFAOYSA-N	309.278	1.001	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nn1	134060495	VPKQBQRTFXIHQV-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)CC1CCCC1	195217644	XKMUUMRTRWUGFJ-UHFFFAOYSA-N	321.333	1.945	50	20	DDGD	
COC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1Br	192329131	PUFCQGCGVWHCEV-UHFFFAOYSA-N	318.083	1.358	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12	89421191	QVAOLLVTDHUPIQ-FPLPWBNLSA-N	301.262	1.854	50	20	DDGD	
CCCOc1cccc(C(=O)NNC(=O)Cc2ccncc2)c1	81027083	VCPLHVKYTDYRBH-UHFFFAOYSA-N	313.357	1.874	50	20	DDGD	
CCc1ccccc1OCC(=O)NNc1nc2ccccn2n1	191888182	HPGJKWFEZSKGQE-UHFFFAOYSA-N	311.345	1.814	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)CC2CCCC2)cc1	195217103	YEHNMGKJHYNHMA-UHFFFAOYSA-N	304.346	1.815	50	20	DDGD	
CCCC(=O)N1CCC[C@@H](C(=O)NNC(=O)CC2CCCC2)C1	195206369	OCRDVPKMJQLRPD-CQSZACIVSA-N	323.437	1.753	50	20	DDGD	
C[C@H](CN1CCCC1=O)NC(=O)/C(C#N)=C\c1ccc(O)cc1	194338378	SDICKUYGWKUYEQ-OJLMPMFISA-N	313.357	1.426	50	20	DDGD	
CC(=O)c1cccc(OCC(=O)NNC(=O)c2ccc(C)o2)c1	84373708	ZWMVQPLAWMLULB-UHFFFAOYSA-N	316.313	1.631	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2cc(C)ccn2)ccc1F	190050975	QRZINFYWJPAIPC-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
Cc1nc(Cc2ccccc2)sc1C(=O)NNC(=O)N(C)C	194918442	VIBMBOGZHUFVEM-UHFFFAOYSA-N	318.402	1.958	50	20	DDGD	
COCCn1ccc(NC(=O)NNc2cccc([N+](=O)[O-])c2)n1	92602648	VYRCWCPULWIMKS-UHFFFAOYSA-N	320.309	1.586	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1cccc(NC(=O)C2CC2)c1	96951171	RALRXFCAUBCNHL-UHFFFAOYSA-N	312.329	1.438	50	20	DDGD	
COc1cccc(CCCNC(=O)NNC(=O)C2CCC2)c1	264707845	IGHKWTMLFOAKRT-UHFFFAOYSA-N	305.378	1.758	50	20	DDGD	
COC(=O)c1cc(C(=O)NNC(=O)NC2CCCCC2)ccn1	267584174	RYPGDEMRIPUEKE-UHFFFAOYSA-N	320.349	1.145	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)C[C@H]1CCc2ccccc2C1	264875328	SYEVMPRZQSDYBY-AWEZNQCLSA-N	323.396	1.967	50	20	DDGD	
O=C(CCC(F)(F)F)NNC(=O)COc1ccccc1O	266308641	FONXKQWUKQYBLT-UHFFFAOYSA-N	306.240	1.261	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1ccc(-n2ccnc2C)nc1	269661528	FSYOQSPXKNSTJC-SDNWHVSQSA-N	311.345	1.636	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)NOCC(C)C	269755105	XCRBCGMFDDWSNP-UHFFFAOYSA-N	315.757	1.880	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)[C@@H]1CC1(Cl)Cl	264555411	PPWLHRUVOJTPSM-ZETCQYMHSA-N	319.144	1.112	50	20	DDGD	
CC[C@@H](C)[C@@H](C)NC(=O)NNc1nc(O)c2cnn(C)c2n1	269414808	OACNYVSHNOBQSM-HTQZYQBOSA-N	307.358	1.130	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCCO[C@@H]1CCOC1	268327261	MMTNGJBKYDJRST-CYBMUJFWSA-N	321.377	1.135	50	20	DDGD	
Cc1[nH]ncc1S(=O)(=O)NNC(=O)C(C)(C)c1ccccc1	264803831	VBIYRZJSZUWZOA-UHFFFAOYSA-N	322.390	1.005	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CN1CCSC1=O)c1ccccc1	264628941	BXQOWSXGWXLFPM-LBPRGKRZSA-N	321.402	1.496	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@]2(C)CCCOC2)c1	272612117	HULVGIHYCHFYJH-KRWDZBQOSA-N	320.389	1.646	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1nc(Br)ccc1C	276399397	UDDNSLCRBFRLOL-UHFFFAOYSA-N	315.171	1.459	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(Cl)c(F)c1)c1ncnn1C	276891461	LKPPCWHEENINGE-SSDOTTSWSA-N	312.736	1.995	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)n1	378589960	PHWIVXHRRKZOJO-HONMWMINSA-N	320.393	1.920	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)CC(C)(C)c2ccccc2)CC1	278515613	BIYVNGWFZXIXEF-UHFFFAOYSA-N	318.421	1.343	50	20	DDGD	
CC(C)(O)CCNC(=O)NNC(=O)C(C)(C)c1ccccc1	274843337	SKPZMXCJJKGJCK-UHFFFAOYSA-N	307.394	1.456	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)[C@H]1CCc2cn[nH]c2C1	278472666	NYMLKKWYVSFMMI-JTQLQIEISA-N	308.345	1.601	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNc1nnc(-c2ccccn2)s1	286439829	HXVNAPWYPZIDJA-ZDUSSCGKSA-N	302.363	1.983	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2CCO[C@@H]2c2cccnc2)nc1	287068146	UHWJGOCORFPADM-DZGCQCFKSA-N	313.361	1.941	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Cn1cc(Cl)cn1)c1ccccc1	287573379	VUKMJLHXRYJXBT-ZDUSSCGKSA-N	320.780	1.878	50	20	DDGD	
CSCCCCC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	282998159	XBBLBSJEAYHTNB-UHFFFAOYSA-N	323.418	1.614	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)C2CC2)CC(c2ccccc2Cl)=NO1	282882866	FMQLCUYXXNZTFI-OAHLLOKOSA-N	321.764	1.781	50	20	DDGD	
CCOCCCNC(=O)NNc1ccc2c(O)nccc2c1	286887609	DJPSGLFTHRHZBA-UHFFFAOYSA-N	304.350	1.993	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)CCc1ccc(OC)cc1	294976665	XWAQORIUGIYLNP-CQSZACIVSA-N	308.378	1.590	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccc(C)cn2)cc1	802057817	ORRCSFASVMLPHI-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	296533596	AOHUTHZISPJILF-CABZTGNLSA-N	322.321	1.623	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O	802036547	ZSBWCNABBFLDIF-FOSCPWQOSA-N	316.361	1.052	50	20	DDGD	
O=C(NNC(=O)N[C@H]1C[C@H]2CC[C@H]1O2)Nc1cccc(Cl)c1	297963688	NGSWQHBVLRNAGZ-GRYCIOLGSA-N	324.768	1.996	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H](F)C(F)(F)F)c1	292610882	GYDJGUQRKBNKLW-LLVKDONJSA-N	322.258	1.730	50	20	DDGD	
CN(NC(=O)CN1CCc2ccccc21)C(=O)OC(C)(C)C	297622837	KPJYIAHOLZDSBN-UHFFFAOYSA-N	305.378	1.947	50	20	DDGD	
CC(=O)N1CCC[C@@H](C(=O)NNC(=O)Nc2ccccc2C)C1	299251171	ZDKFUNCZGDRJKR-CYBMUJFWSA-N	318.377	1.406	50	20	DDGD	
Cc1cc(N(C)C)ccc1NC(=O)NNC(=O)[C@@H]1CCCO1	292541407	FBFKIYYNAUWFLO-ZDUSSCGKSA-N	306.366	1.393	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(-c2ccco2)on1	295728568	LYZCQUIYPFGFQD-LLVKDONJSA-N	305.290	1.265	50	20	DDGD	
CC(C)NC(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(F)c1	291606391	XTQKXSIHARGMIO-UHFFFAOYSA-N	316.720	1.156	50	20	DDGD	
CC[C@H](C)[C@@H](C)NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	299167068	NFTGKAAKOMRVAX-WDMOLILDSA-N	321.377	1.591	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1occ2c1CCOC2	807061639	WAYGXEKECJEJAJ-UHFFFAOYSA-N	304.262	1.412	50	20	DDGD	
CC[C@H](NC(=O)NCCSSC)[C@@H](O)C(F)(F)F	807229455	XZVQGCIQHKCWOT-NKWVEPMBSA-N	306.375	1.999	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1cccnc1F	806838570	ZMQQFWVVEFCMPB-UHFFFAOYSA-N	309.322	1.381	50	20	DDGD	
CC(C)(C)OC(=O)NC(C)(C)C(=O)NNC(=O)c1ccccc1	299280975	CBZAMNPOMUKAAL-UHFFFAOYSA-N	321.377	1.751	50	20	DDGD	
Cc1cccnc1NNC(=O)c1ccc(C(N)=O)c(Cl)n1	807388755	LVROOTHDNHLGKW-UHFFFAOYSA-N	305.725	1.294	50	20	DDGD	
O=C(/C=C/c1ccc(Cl)nc1)NNC(=O)[C@H]1CCCCO1	295574389	BNJDYJLHWPHJTN-OKPNEXGHSA-N	309.753	1.465	50	20	DDGD	
COCCOCCCNC(=O)NNc1ncc(F)cc1F	297577098	HOJGUUOEQYBXOY-UHFFFAOYSA-N	304.297	1.039	50	20	DDGD	
O=C(NNc1cccc(F)n1)C(=O)Nc1nc(C2CC2)cs1	807392176	IDRKUQSAVVIANC-UHFFFAOYSA-N	321.337	1.636	50	20	DDGD	
CC(=O)c1cccc(O[C@@H](C)C(=O)NNC(=O)CC(C)C)c1	299321833	DZSHDIWSDPWECM-LBPRGKRZSA-N	306.362	1.850	50	20	DDGD	
CCn1ncnc1COC(=O)/C(C#N)=C/c1ccc(OC)cc1	801199249	KDBKWLYTLWLOCD-MDWZMJQESA-N	312.329	1.957	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)CCOc1ccccc1)C1CCC1	813430542	REPYNEIOIBTEMM-INIZCTEOSA-N	306.362	1.154	50	20	DDGD	
CCC(CC)[C@H](C(=O)NNC(=O)CC1CC1)N1CCOCC1	819123457	YLCAGPIYSLADGI-OAHLLOKOSA-N	311.426	1.071	50	20	DDGD	
Cc1nn(C)c(=O)c(C(=O)NNc2cccc(Cl)n2)c1C	817009626	SLOROCKKOCTFHB-UHFFFAOYSA-N	307.741	1.202	50	20	DDGD	
O=C(NCCOC[C@H]1CCOC1)NNc1cccc(Cl)n1	814300651	PXKVQLSTAIASNK-JTQLQIEISA-N	314.773	1.414	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Nc1ccc2c(c1)OCO2)C(C)(F)F	816597297	MJPZUGKVDTYVQP-ZETCQYMHSA-N	315.276	1.859	50	20	DDGD	
CCc1ccc(C#CC(=O)NNC(=O)Cc2cccnc2)cc1	815410672	MYXMRNSEXQLQSG-UHFFFAOYSA-N	307.353	1.386	50	20	DDGD	
CN(NC(=O)[C@@H]1CCCN1c1ncnc2ccccc12)C1CC1	819646078	ZUICQIXGPARJEZ-HNNXBMFYSA-N	311.389	1.724	50	20	DDGD	
C[C@H](Oc1cccc(C=NNC(=O)[C@H]2CCCS2)c1)C(=O)O	819826722	MPNQBTFJDQHDCZ-GXFFZTMASA-N	322.386	1.884	50	20	DDGD	
COCCCOCC(=O)Nc1cccc(NC(=O)NN(C)C)c1	816406596	WERBMBATMSWAFS-UHFFFAOYSA-N	324.381	1.276	50	20	DDGD	
CO[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)C1	814362058	OBOQHZPBODXZML-ZYHUDNBSSA-N	320.345	1.382	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1CCC[C@@H](OC)C1	814409714	SZOPUNTXBXQANV-VXGBXAGGSA-N	306.362	1.661	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)c1csnn1	814859558	SWHXDPNCFPKDDA-UHFFFAOYSA-N	305.319	1.782	50	20	DDGD	
CCOc1ccc(NNC(=O)c2ccc3nc(O)[nH]c3n2)cc1	817911191	MJKHJCNWFZIWCK-UHFFFAOYSA-N	313.317	1.819	50	20	DDGD	
C=Cc1ccc(CCNC(=O)NNC(=O)Cc2cccnc2)cc1	812882303	GVDYYYNYJLUDQL-UHFFFAOYSA-N	324.384	1.840	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)COCc2ccccc2)C1	819808738	SFCMEWUYUYJNHR-UHFFFAOYSA-N	304.346	1.649	50	20	DDGD	
C[Si](C)(CNC(=O)NNC(=O)c1ccc[nH]1)c1ccccc1	812212250	BUUZWJAKRRLNOG-UHFFFAOYSA-N	316.437	1.114	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@@H]1CCc2cccnc21	819902568	QJOFGUCJYVFZOA-OAHLLOKOSA-N	309.369	1.810	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccccc1C(=O)c1cccs1	823983139	LSEVFMCKXMAABZ-NSHDSACASA-N	318.398	1.937	50	20	DDGD	
CCCN1C(=O)C(=NNC(=O)Cc2cccnc2)c2ccccc21	728784442	IYUSZBRZXXYXOB-UHFFFAOYSA-N	322.368	1.901	50	20	DDGD	
Cc1ccoc1CC(=O)NNC(=O)CCOc1ccccc1	824702994	WIFOOYAQYURWSP-UHFFFAOYSA-N	302.330	1.747	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1CCCC1=NNC(=O)c1cnccn1	494399743	OHCFBDQKQQKRSR-SNVBAGLBSA-N	319.365	1.640	50	20	DDGD	
O=C(CCn1cc(Cl)cn1)NNC(=S)NCC1CCC1	727865703	WXQPCKPEVLIWCX-UHFFFAOYSA-N	315.830	1.222	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CC[C@@H](n2cccn2)C1	491053218	XVGNHSMBYKPHFQ-BAAYTWLHSA-N	308.341	1.969	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)OCc1ccc(F)cc1	823176119	OMEVMJYQDYMMHK-JTQLQIEISA-N	320.324	1.224	50	20	DDGD	
COC[C@H](OC)C(=O)NNC(=O)Cc1cccc2ccccc12	820191191	QZQUHQVKHBEQGC-HNNXBMFYSA-N	316.357	1.191	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCC(C)(C)c1ccccn1	826891984	BXVBHFVVBGOBAX-RYUDHWBXSA-N	320.393	1.115	50	20	DDGD	
O=C(Cc1scnc1-c1ccccc1)NNC(=O)C1CC1	822192439	MVAKAXYGYVHQNY-UHFFFAOYSA-N	301.371	1.910	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)C12CCC(CC1)C2	495156397	QJWCKMMBBAOMIQ-UHFFFAOYSA-N	311.382	1.239	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc2c(c1)nc(O)n2C1CC1	820710124	NQYBXXLIKWXDEM-UHFFFAOYSA-N	316.361	1.884	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2cnccn2)cc1F	726454204	VKDNTOYJZNTIQR-UHFFFAOYSA-N	321.337	1.256	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1cc(Cl)nc(Cl)c1	496560392	YGJMZJORNOXACF-UHFFFAOYSA-N	321.164	1.968	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3nn[nH]n3)cc2)n1	826363393	KMQUFNOKTRNMGN-WQLSENKSSA-N	320.316	1.146	50	20	DDGD	
O=C(CCc1nccs1)NNc1nc(-c2ccncc2)no1	728071576	BIEUUYKXHKYCFJ-UHFFFAOYSA-N	316.346	1.664	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@H]1CCOc2ccccc21	728207113	FEZJMWCWXOGQKE-VIFPVBQESA-N	302.252	1.653	50	20	DDGD	
CCCOCc1ccccc1CNCc1ccc(B(O)O)o1	585017516	YYNGURQWWMUASA-UHFFFAOYSA-N	303.167	1.176	50	20	DDGD	
CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NNC(=O)C2CCC2)C1	492725014	PRMVSPCDCNQYEW-NSHDSACASA-N	323.393	1.191	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(CSc2nc[nH]n2)cc1	495367536	QOKGBYHUCVYQOY-UHFFFAOYSA-N	307.335	1.098	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCCOc1ccc(F)cc1F	823965869	VASVRXJWQBZKAQ-JTQLQIEISA-N	302.321	1.468	50	20	DDGD	
CC(C)N(Cc1cccs1)C(=O)c1ccc(B(O)O)cc1	584932970	DAAAJJVEJSVKEJ-UHFFFAOYSA-N	303.192	1.479	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NO[C@@H](CO)C(C)C)cc(C#N)n1C	491044990	DKINZQFUEVAPJT-WQPBDQAGSA-N	316.361	1.177	50	20	DDGD	
Cc1ccncc1/C=C/C(=O)NNc1nc(-c2ccncc2)no1	493843453	JWACCQDMWRYIIH-NSCUHMNNSA-N	322.328	1.992	50	20	DDGD	
Cc1cc(C)c2c(c1)N(CC(=O)NNC(=O)C(C)C)CCC2	828281357	RYVPKMAJRRKUGS-UHFFFAOYSA-N	303.406	1.859	50	20	DDGD	
O=C(Nc1cccc2c1CN(C1CC1)C2)c1ccc(B(O)O)cc1	584970414	BHDNDGDLSGQNAP-UHFFFAOYSA-N	322.173	1.097	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CN2CCCCCC2=O)c1	822215709	MOWSPGWUAOTTHB-UHFFFAOYSA-N	309.391	1.220	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)/C(C#N)=C/c2ccc(O)cc2)o1	491086578	UOPVMYHBTHOMGR-XYOKQWHBSA-N	311.297	1.662	50	20	DDGD	
CC1(C)COCCN1CCNC(=O)[C@]1(C)C[C@@H]1Br	906555474	MYTXAPURDYSDBF-GXFFZTMASA-N	319.243	1.387	50	20	DDGD	
COc1cc(C=NNC(=O)c2cnn(C)c2)cc(OC)c1OC	735410909	CGGGKPHKJPPKGZ-UHFFFAOYSA-N	318.333	1.210	50	20	DDGD	
Cn1cc(C=NNC(=O)CCCNC(=O)OC(C)(C)C)cn1	494300483	UFJLSPWVDLEKFL-UHFFFAOYSA-N	309.370	1.175	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccc(OCCN(C)C)c1	494658996	KUVVBMJGWXKCME-UHFFFAOYSA-N	310.354	1.410	50	20	DDGD	
C[C@@H]1OC(=O)N[C@@H]1C(=O)NNc1ccc(C(F)(F)F)cn1	496204170	DWTVTEYPLLWKPC-XNCJUZBTSA-N	304.228	1.040	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1cnnc2ccccc12	491431178	XQZFLIJHFHOQQY-UHFFFAOYSA-N	317.349	1.551	50	20	DDGD	
O=C(CCN1CCOC1=O)NNc1cccc2c1CCCC2	493981612	MFYNNDSIHCSXBN-UHFFFAOYSA-N	303.362	1.851	50	20	DDGD	
CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1cncs1	735449432	YAIOJMSDVZTQAP-UHFFFAOYSA-N	313.346	1.477	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1coc(-c2cccs2)n1	730036674	ANHVZNXKJZDLIV-UHFFFAOYSA-N	322.415	1.627	50	20	DDGD	
CCOCCCNC(=O)NNc1ccc(F)c(C(=O)OC)c1	837325828	DTCZYPNXZCZXQC-UHFFFAOYSA-N	313.329	1.665	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)OCCCOCC(F)(F)F)cn1	837970979	KOKKHRWQVXJMKE-WZUFQYTHSA-N	317.267	1.839	50	20	DDGD	
COc1cc(Cl)c(Cl)cc1C(=O)N1CC[C@@H](B(O)O)C1	585071268	PIWFPEUKDFOUTL-SSDOTTSWSA-N	317.965	1.691	50	20	DDGD	
C[C@@H](C[C@@H](O)c1ccc(F)cc1)NCc1ccccc1B(O)O	585033610	FQZBNVPNDANOFP-YVEFUNNKSA-N	317.169	1.107	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC[C@@H](C(=O)O)C2)cc1	833072730	YEPYCPGGDXEXSV-CHWSQXEVSA-N	315.329	1.210	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1csc(N2CCCCC2)n1	900418653	ZNTALXKRMIJNNI-UHFFFAOYSA-N	311.411	1.486	50	20	DDGD	
COCCO[C@@H]1CCN(C(=O)[C@@]2(C)C[C@H]2Br)C1	907600415	RRJMMZRFNDUWHX-FOGDFJRCSA-N	306.200	1.424	50	20	DDGD	
C[C@@]1(CNCc2cccc(B(O)O)c2)OCCc2sccc21	585041070	MQKMLPLSCJCWJL-INIZCTEOSA-N	317.219	1.006	50	20	DDGD	
CC[C@@H](CNC(=O)NNc1ccc(C(=O)OC)cc1F)OC	838597343	LNVNABQKLUCPQZ-JTQLQIEISA-N	313.329	1.663	50	20	DDGD	
N#Cc1ccc(CCC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	833255596	GRQOOCPDOGEUKJ-AWEZNQCLSA-N	301.346	1.207	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CC[C@H](C2CCCCC2)C1	585007880	QCBLXBNDJTYPMD-HNNXBMFYSA-N	301.195	1.409	50	20	DDGD	
COc1ccc(C(=O)N2CC[C@H](B(O)O)C2)c(OC(C)C)c1	585064701	IRMHLEXYSCKWSS-NSHDSACASA-N	307.155	1.171	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@H](C)[C@H](C)OC)cc1	836464120	OZCFCKXBLZWPQG-ZJUUUORDSA-N	310.354	1.454	50	20	DDGD	
CN(C)c1nc(Cl)c(C=NNC(=O)[C@H]2CCCCO2)s1	834989809	VTMGXYLUTTWTLQ-MRVPVSSYSA-N	316.814	1.882	50	20	DDGD	
CC(C)NC(=O)Nc1ccc(C(=O)NNc2cccnn2)cc1	736698184	DDXGOZRUQMXFKA-UHFFFAOYSA-N	314.349	1.763	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@@H]2C(=O)O)c2ccccc2n1	738331857	AFMGQVWVZBBRMS-NEPJUHHUSA-N	313.313	1.025	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=C1CCn2ccnc21	834926379	ZCMVZQRDATUQHZ-UHFFFAOYSA-N	308.345	1.465	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCCN(C)OC)cc1	912160939	ITDKLUMZPLJGMO-KAMYIIQDSA-N	303.362	1.602	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(C)(C)c1ccc2c(c1)OCCO2	746817871	KNWLNHUTHAEXBO-UHFFFAOYSA-N	306.362	1.539	50	20	DDGD	
COc1cccc(SCC(=O)NNC(=O)c2ccncc2)c1	916031627	HEJCANFYNXIDFK-UHFFFAOYSA-N	317.370	1.644	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccc[nH]1)c1c(F)cccc1F	918102613	ZCSCHFOPQNRJGR-QMMMGPOBSA-N	308.288	1.998	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H]1CCO[C@H](c2ccccc2)O1	848144499	VYTMWDQTNCUARI-CJNGLKHVSA-N	304.346	1.438	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)c2c(C)cnn2C)cc1	846377470	VQLJHILKEIHZAX-UHFFFAOYSA-N	302.334	1.201	50	20	DDGD	
Cc1cc(C)c(/C=C\C(=O)NNC(=O)N2CCOCC2)cc1C	745986014	INSDCILQXUIXKW-PLNGDYQASA-N	317.389	1.698	50	20	DDGD	
COC[C@H](NC(=O)NNc1ccc(CC(=O)OC)cc1)C1CC1	845067842	AKHFJAPBCFBLBU-AWEZNQCLSA-N	321.377	1.453	50	20	DDGD	
CCNC(=S)NNC(=O)c1cc(-c2ccccc2OC)[nH]n1	916105324	SHQGVQYCMMRFGS-UHFFFAOYSA-N	319.390	1.214	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1csc(C(C)(C)C)n1	843648583	REXBMPRPCJJXDS-IUCAKERBSA-N	311.407	1.627	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2cc(F)c(F)c(F)c2)CCN1	841989231	ZDDLPSDHIWYCHR-YUMQZZPRSA-N	302.300	1.871	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNC(=O)c1cccc2ccccc12	741695313	BEMJCEHSZACTOT-LLVKDONJSA-N	313.357	1.516	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNC(=O)c2ccc3ccccc3n2)o1	747373379	LPKDZDSDEUKRMR-UHFFFAOYSA-N	324.296	1.002	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC[C@@H]2CCCNC2)cc1F	841923451	HBZIXDLZXYGAEE-SNVBAGLBSA-N	324.356	1.238	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N[C@H]1CC[C@H](CN)C1)c1ccccc1	842011772	UYRRQMBOKUTMFP-JSGCOSHPSA-N	318.421	1.422	50	20	DDGD	
CCCCCOc1ccc(C=NNC(=O)C(=O)NC2CC2)cc1	744824293	VOMIAJXVCCAOFM-UHFFFAOYSA-N	317.389	1.984	50	20	DDGD	
O=C(NNC(=S)NC[C@H]1CCOC1)NC1CCCCC1	749645953	JCDGWVCRTRGJMH-SNVBAGLBSA-N	300.428	1.034	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H](C)NC(=O)C2CCCCC2)n1	918512618	VEGOVLOFMRGQON-GFCCVEGCSA-N	319.409	1.622	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@@H](C)Oc1cccc(C)c1	745875959	KMNRDXGYWAOORL-GFCCVEGCSA-N	309.366	1.129	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)[C@H]1CCCCO1)CC(F)(F)F	840439217	FCRXMYPDQNAOPQ-DTWKUNHWSA-N	311.304	1.474	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNc1ncc(Br)cn1	848322239	UXEASAHMCYQDBV-SNVBAGLBSA-N	303.160	1.497	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@H](C)C(F)(F)F)c1O	743316629	DHBAMTCBBHQIOG-LURJTMIESA-N	306.240	1.360	50	20	DDGD	
COc1ccc(NNC(=O)Cn2c(=O)cnc3ccccc32)cc1	746886146	ICTXYRHJWUUTMT-UHFFFAOYSA-N	324.340	1.548	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1noc(-c2cccc(F)c2)n1	746129519	KZJZUYMZWQIHHG-UHFFFAOYSA-N	306.297	1.683	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NC[C@]2(C)CCCO2)cc1	845029624	JVHYYAKCWJHUBZ-INIZCTEOSA-N	321.377	1.597	50	20	DDGD	
CCn1ccc(CC(=O)NNC(=O)C(C)(C)c2ccccc2)n1	844380081	WVLQJJJAGFOUSK-UHFFFAOYSA-N	314.389	1.571	50	20	DDGD	
Nc1c(NS(=O)(=O)CCCCCl)cc(F)cc1C(=O)O	840914862	HMIFVASHQLUFIG-UHFFFAOYSA-N	324.761	1.867	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)CCNC(C)(C)C)c1	929246577	RRJVITBCOSEONS-UHFFFAOYSA-N	321.421	1.608	50	20	DDGD	
O=C(CCN1CCCC1=O)NNc1ccc(F)c([N+](=O)[O-])c1	842243419	CJTLDNDAIRFDFY-UHFFFAOYSA-N	310.285	1.190	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1ccc([S@](C)=O)cc1	746370884	RHAIOVHNGLAJJR-NRFANRHFSA-N	309.391	1.190	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H](C)COCC1CC1	845580633	OULRYKHCPJCBQD-LLVKDONJSA-N	321.377	1.454	50	20	DDGD	
COCCOCC(=O)NNc1ncnc(Cl)c1C(C)C	840548097	AISALEPQLNLKRF-UHFFFAOYSA-N	302.762	1.360	50	20	DDGD	
CN1CC[C@H]1CNC(=O)NNC(=O)c1ccc(Cl)cc1F	925412177	DOIGPSDLTNVVJW-VIFPVBQESA-N	314.748	1.127	50	20	DDGD	
NC[C@@H](NC(=O)NNc1ccccc1OC(F)(F)F)C1CC1	841949033	YMBIEYMPSQGVJF-SNVBAGLBSA-N	318.299	1.949	50	20	DDGD	
CC(C)C[C@H](CN)NC(=O)NNC(=O)Cc1ccccc1F	841954487	SFIQRPSBUVELLZ-GFCCVEGCSA-N	310.373	1.072	50	20	DDGD	
CO[C@@H](C(=O)Nc1cccc(NC(=O)NN(C)C)c1)C1CC1	843869940	IVZREJFYKDJNFS-CYBMUJFWSA-N	306.366	1.648	50	20	DDGD	
C[C@@H](c1ccccc1)[C@](C)(O)C(=O)NNC(=O)C1CCOCC1	923055693	FOAXXSBYKHCLEU-SJCJKPOMSA-N	320.389	1.115	50	20	DDGD	
Cc1ccnc2nc(C(=O)NC[C@]3(C)C[C@@H]3Br)nn12	857689415	KZLZDYULUJMUJK-UFBFGSQYSA-N	324.182	1.336	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@H](C)[C@@H]1CCCN(C2CCC2)C1	754462867	GMKMBQAVUHVOBB-HZSPNIEDSA-N	324.469	1.175	50	20	DDGD	
C[C@]1(CCC(=O)NNc2ccc([N+](=O)[O-])cc2F)CCC(=O)N1	855622417	FEDXSBKPBUYNAX-CQSZACIVSA-N	324.312	1.626	50	20	DDGD	
CC(C)(C)n1cc(C=NNC(=O)c2cccc(C(=O)O)c2)nn1	853425538	GTGZFNNEULYXJU-UHFFFAOYSA-N	315.333	1.495	50	20	DDGD	
CN1CCC(CNC(=O)NC[C@]2(C)C[C@@H]2Br)CC1	856858208	SBSQOUPQPMDFRG-AAEUAGOBSA-N	318.259	1.801	50	20	DDGD	
CC(C[C@H]1CCOC1)=NNC(=O)c1nnc(O)c2ccccc12	751520509	GJAPATFBRYIXEJ-LLVKDONJSA-N	314.345	1.868	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2ccc(OC(F)F)c(F)c2)cn1	754705289	PGINZKUNBOOMNM-UHFFFAOYSA-N	312.251	1.925	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@@H]2CCCCN2)C[C@@H]1Br	857104040	LNMODYAVOCHZKO-JBLDHEPKSA-N	304.232	1.601	50	20	DDGD	
CN(C)CCCNC(=O)NNC(=O)c1ccc2ccccc2c1	858101419	OQYIMOUNQGBDMK-UHFFFAOYSA-N	314.389	1.736	50	20	DDGD	
CO[C@H](CNC(=O)NC[C@]1(C)C[C@H]1Br)C1CC1	856859920	VDUFBJYTULLBCB-FOGDFJRCSA-N	305.216	1.884	50	20	DDGD	
CC(C)C(=O)NNC(=O)C1(N(C)C(=O)OC(C)(C)C)CCC1	858143134	GFARLMKOFQWXNU-UHFFFAOYSA-N	313.398	1.579	50	20	DDGD	
CCC(=NNC(=O)COCc1ccccc1)c1ccn(C)n1	758124547	NJEQDQABBVNVHT-UHFFFAOYSA-N	300.362	1.867	50	20	DDGD	
C[C@]1(CNC(=O)NCCCc2nc[nH]n2)C[C@@H]1Br	856960010	LDLFPRCMHQVXCL-GZMMTYOYSA-N	316.203	1.210	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2C[C@]23CCCNC3)C[C@H]1Br	857007058	DFWBKNBGUOXORH-YGNMPJRFSA-N	301.228	1.666	50	20	DDGD	
CN(C)CC(=O)NNC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1	857108464	GLCWTFAJZFCCDR-CABCVRRESA-N	303.406	1.354	50	20	DDGD	
C[C@H]1CC(=NNC(=O)Cn2cnc3ccccc32)CN1C1CC1	753954467	CBVSVHHEWDNRNK-LBPRGKRZSA-N	311.389	1.765	50	20	DDGD	
CCc1cc(CNC(=O)NC[C@@]2(C)C[C@@H]2Br)n[nH]1	856835700	VNZRRRLOQRKNTB-CMPLNLGQSA-N	315.215	1.945	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)/C(C)=C/c1ccco1	854388136	XYEZZVCIOSYBPI-ZHACJKMWSA-N	310.350	1.620	50	20	DDGD	
CCn1nccc1CNC(=O)NNC(=O)Cc1ccccc1C	852716345	KCYGWRPZXKMCDV-UHFFFAOYSA-N	315.377	1.285	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@](C)(O)c1cccc(C(F)(F)F)c1	754844053	ZCWKVHXVFAPNJH-ZDUSSCGKSA-N	318.295	1.716	50	20	DDGD	
CN(C)Cc1cccc(C(=O)NNC(=O)OCC(F)(F)F)c1	856021821	SWJKMEQMPPJVNX-UHFFFAOYSA-N	319.283	1.682	50	20	DDGD	
CC(C)(C)N1C[C@H](CNS(=O)(=O)CCCCCl)CC1=O	851828036	MNDUAFUKGRAEQN-NSHDSACASA-N	324.874	1.572	50	20	DDGD	
CCNC(=O)C1(CNC(=O)NNc2ccc(F)cc2)CCC1	753748222	MEPQLAAXZNWACS-UHFFFAOYSA-N	308.357	1.758	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cnn(C2CC2)c1)c1ccccc1	859297669	BHZYOXVZPFHZFL-UHFFFAOYSA-N	312.373	1.957	50	20	DDGD	
Cc1nc(SCCC(=O)NNc2ncc(Cl)cn2)n[nH]1	857729350	SSWMAXMCPMLMCR-UHFFFAOYSA-N	313.774	1.182	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NNC(=O)c2ccc[nH]2)C1	854279166	PXMFZFPNUAPKQJ-MGCOHNPYSA-N	322.365	1.079	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H]2CN(C)CCN2C)cc1F	853719579	PTVSSOBPJJXHEF-ZDUSSCGKSA-N	309.389	1.006	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)Cc2ccccc2F)sn1	756858809	WLEYYFANUWGMLD-UHFFFAOYSA-N	308.338	1.986	50	20	DDGD	
COc1ccc(O)c(C(=O)NNC(=S)N[C@@H](C)C2CC2)c1	855102777	NETUHMVQPRUVSJ-QMMMGPOBSA-N	309.391	1.308	50	20	DDGD	
CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)NCCCSC#N	854362590	UBOBELWLIBOLPK-NSHDSACASA-N	314.455	1.829	50	20	DDGD	
O=C(Nc1ccc(NCc2ccc(B(O)O)cc2)cc1)C1CC1	864019549	JDAVBLLIVLBYTR-UHFFFAOYSA-N	310.162	1.327	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@@]1(C2CCCC2)CCNC1=O	861735426	QOOJTLAXSZQTTL-CYBMUJFWSA-N	307.221	1.945	50	20	DDGD	
CCOCn1nc(C)c(CC(=O)NNc2ncncc2F)c1C	868539736	AYQHMUHRWYAXIY-UHFFFAOYSA-N	322.344	1.109	50	20	DDGD	
CC[C@@](C)(NC(=O)NNC(=O)c1cccnn1)C(F)(F)F	933507503	VLPFCPHURNPORV-SNVBAGLBSA-N	305.260	1.152	50	20	DDGD	
COCc1ccc(C=NNC(=O)CNc2ccc(OC)cc2)o1	764657672	CACFOHDIEITDHR-UHFFFAOYSA-N	317.345	1.997	50	20	DDGD	
COC/C=C/C(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1	864514457	UUDRSLUNNMKGGA-AATRIKPKSA-N	322.361	1.446	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cn1	768250157	RKPOSGUMVDTPQJ-UHFFFAOYSA-N	303.234	1.655	50	20	DDGD	
CC(C)n1nccc1C(=O)NNc1ccccc1S(C)(=O)=O	766663960	XEMPCGJWCRPYJK-UHFFFAOYSA-N	322.390	1.624	50	20	DDGD	
CC1(C)OCc2cc(C=NNC(=O)c3cn[nH]c3)ccc2O1	863154779	MBFWUKXCFSHEHY-UHFFFAOYSA-N	300.318	1.819	50	20	DDGD	
COC(=O)NNC(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1	863854124	JBNYTTLLBWOLQH-LBPRGKRZSA-N	311.769	1.692	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CN2CC[C@H](C3CC3)C2)cc1	764484018	IDCAAAOJLKYZSR-HNNXBMFYSA-N	312.373	1.051	50	20	DDGD	
CSc1ccc2c(c1)C(=NNC(=O)[C@@H]1CCC(=O)N1)CCC2	863151946	YKZFYIGTRMKJKD-AWEZNQCLSA-N	317.414	1.844	50	20	DDGD	
CC1CCN(c2ccc(F)cc2NC(=O)NNC(=O)CO)CC1	933259066	LSHVPRORSMFHNO-UHFFFAOYSA-N	324.356	1.207	50	20	DDGD	
O=C(CSc1ccncc1)NNCC(F)(F)C(F)(F)F	863090177	BJRMTCZMERGPEN-UHFFFAOYSA-N	315.267	1.992	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1CCN1C(C)(C)C	862992767	IEWAFCSJKJJIHL-ZDUSSCGKSA-N	319.405	1.258	50	20	DDGD	
COC(=O)CC1CCC(=NNC(=O)Cn2nc(C)cc2C)CC1	863071360	NBLYXDYGLPUTSS-UHFFFAOYSA-N	320.393	1.725	50	20	DDGD	
CN(C)CCOCCNC(=O)[C@H](Br)C(C)(C)C	768389514	ZKZWHNPKNKHJOF-JTQLQIEISA-N	309.248	1.490	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1CCCN1c1ncccn1)C(F)(F)F	862307841	REFWBZSCOMGVJN-IUCAKERBSA-N	303.288	1.017	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)/C=C\CN1CCOCC1	868026047	DFRAIMSOTFCIQJ-DAXSKMNVSA-N	318.377	1.036	50	20	DDGD	
COC/C=C\C(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1	864514459	UUDRSLUNNMKGGA-WAYWQWQTSA-N	322.361	1.446	50	20	DDGD	
Cc1cccc(NNC(=O)CSCC(=O)N2CCCCC2)n1	862524070	FHJBKQMEPWFNNU-UHFFFAOYSA-N	322.434	1.579	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cnc(F)cc1C	864591254	YRPWZVMPXUKTEO-UHFFFAOYSA-N	314.386	1.017	50	20	DDGD	
CCc1ccc(C=NNC(=O)c2nn(C)c(=O)c3ccccc23)o1	760235341	MTAVUTRKYPQGNS-UHFFFAOYSA-N	324.340	1.853	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccc(N2CCCCC2)nc1	764619921	UVVWWHRTXIRGAO-UHFFFAOYSA-N	303.366	1.635	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccsc1C(F)(F)F	863076050	FXDVKJBCRFRXQU-UHFFFAOYSA-N	307.297	1.742	50	20	DDGD	
CC(C)c1cccc(OCC(=O)NNC(=O)c2cn[nH]c2)c1	862474933	TXGBGGPDLSAKMM-UHFFFAOYSA-N	302.334	1.373	50	20	DDGD	
N#CSCCCNC(=O)c1cccc(Cn2cncn2)c1	861551504	OWZHBTUHBYHKQG-UHFFFAOYSA-N	301.375	1.661	50	20	DDGD	
COc1nccnc1NNC(=O)Cc1ccccc1SC	764460793	OCWMQCUSUYGETB-UHFFFAOYSA-N	304.375	1.893	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)Oc1cccc(C(N)=O)c1	866480969	KEQIJVMPNRWTCF-UHFFFAOYSA-N	305.783	1.759	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCC2(CO)CC2)cc1	762685536	KSTBICSGLSSYSL-NTEUORMPSA-N	300.358	1.881	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(CC)ccc1O	772067124	UTGBHGCVVPHOOG-SECBINFHSA-N	308.334	1.057	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccccc1N(C)C(=O)C1CC1	770548697	INEGNIFRXJZBAP-UHFFFAOYSA-N	318.377	1.366	50	20	DDGD	
CC(C)Cc1cc(C(=O)NNC(=O)NCC2CC2)cc(O)n1	777371730	BLJRKDOXURLVOI-UHFFFAOYSA-N	306.366	1.340	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)C(=O)Nc1ccc(F)cc1	773999274	XPHBOQXPZPIDGC-UHFFFAOYSA-N	317.324	1.821	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NN=Cc1cncn1C	773089870	CFEBKKKSSUPWIQ-SNVBAGLBSA-N	306.753	1.991	50	20	DDGD	
Cn1ccc(CNC(=O)NNC(=O)c2ccccc2Cl)c1	1116192870	ATBKAPYDIWZHQP-UHFFFAOYSA-N	306.753	1.823	50	20	DDGD	
C=CC[C@@H](C(=O)O[C@H](C)C(=O)NNC(=O)CC)c1ccccc1	778428289	QIUNFYKSBNPDNK-TZMCWYRMSA-N	318.373	1.835	50	20	DDGD	
COCCOCC(=O)NN=C1CCc2ccc(OC)cc2C1	872402280	YOXYEUMIDYNQJR-UHFFFAOYSA-N	306.362	1.319	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCCCN1CCC[C@H](C)C1	875078881	UXDQJTMVNNKCFO-LBPRGKRZSA-N	300.403	1.411	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=S)Nc2ccccn2)o1	874955553	AQPYCNJCXRQFHR-UHFFFAOYSA-N	319.390	1.962	50	20	DDGD	
CC(C)c1nn(C)cc1NC(=O)NNC(=O)C1CCOCC1	879457803	NFOMVTPLYQAZDV-UHFFFAOYSA-N	309.370	1.123	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=C2CCCOCC2)C[C@@H](C)O1	770595608	GFVQOAIOBYJBSZ-MELADBBJSA-N	311.426	1.404	50	20	DDGD	
CCCn1cc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)cn1	772259252	QTJOUONNQFOXRD-LLVKDONJSA-N	324.381	1.032	50	20	DDGD	
O=C(Cc1csc(-c2nc[nH]n2)n1)NNc1ccccn1	777473932	URRBEVCUUQQZEJ-UHFFFAOYSA-N	301.335	1.009	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H](C)OC[C@H]1CCCO1	777773150	UGGQJSYQRHIXIP-VXGBXAGGSA-N	322.361	1.500	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1coc(C2CC2)n1	776840138	VJGOAJFZGLTUQS-UHFFFAOYSA-N	303.293	1.695	50	20	DDGD	
CN(CC(=O)NNC(=O)c1nc2ccccc2s1)C1CCC1	881466779	AGENNULGFGJJMZ-UHFFFAOYSA-N	318.402	1.542	50	20	DDGD	
O=C(CCOC[C@@H]1CCCO1)NNc1ccc(F)c(F)c1	885110545	HPGCHKPIZTVTLK-NSHDSACASA-N	300.305	1.994	50	20	DDGD	
COC(=O)Cn1cccc1C=NNC(=O)Cc1ccc(F)cc1	776186083	SPIYVCAVQZSPPT-UHFFFAOYSA-N	317.320	1.493	50	20	DDGD	
CSc1cc(NC(=O)NNC(=O)CC2CCCC2)ncn1	888956719	XNICKVKHXNETAM-UHFFFAOYSA-N	309.395	1.932	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1[C@@H](C)C1(F)F	1123574484	IVYVXKNNCRTNHA-FYBVGQRMSA-N	316.279	1.642	50	20	DDGD	
CN(CCS(C)(=O)=O)C(=O)[C@@H](Br)C(C)(C)C	781086986	CAWRYQRNEGBIPO-MRVPVSSYSA-N	314.245	1.299	50	20	DDGD	
N#Cc1ccc(NNC(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)nc1	888576777	JEJQQZXMUGWMAO-UPJWGTAASA-N	301.350	1.537	50	20	DDGD	
O=C(N[C@H](CO)CN1CCCCC1)C1CCC(Cl)CC1	1123880526	PMEGTUOCFSYJBP-RUXDESIVSA-N	302.846	1.747	50	20	DDGD	
CC1(C)C[C@H](NS(=O)(=O)CBr)C(C)(C)O1	782477576	YHHSKCVVUNUOAS-ZETCQYMHSA-N	300.218	1.604	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C\c1cn(Cc2cccnc2)nn1	786042823	LLBPOPSYOLWJGN-AUWJEWJLSA-N	317.374	1.411	50	20	DDGD	
CCn1cc(CC(=O)NNc2cccc(C(=O)OC)c2)cn1	780998673	YACZIECHFSUIJP-UHFFFAOYSA-N	302.334	1.375	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1c[nH]c2ccccc2c1=O	899992472	YUQUSVZTKYJNPM-UHFFFAOYSA-N	318.402	1.436	50	20	DDGD	
C[C@H](SCC(=O)NNC(=O)C(C)(C)C)C(=O)OC(C)(C)C	794862657	BSEACWZUWMIGFF-VIFPVBQESA-N	318.439	1.643	50	20	DDGD	
Cc1cccnc1NNC(=O)CSc1nnc2ccccn12	791224770	FIHYGRRYWJJFEQ-UHFFFAOYSA-N	314.374	1.668	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2ccc(Cl)nn2)c1	798150332	LYZCNTLKTNSWGK-UHFFFAOYSA-N	319.752	1.271	50	20	DDGD	
N#C/C(=C/c1cccc(NC(=O)C(F)(F)F)c1)S(N)(=O)=O	798232425	UUWWFGXHADFLJZ-UITAMQMPSA-N	319.264	1.340	50	20	DDGD	
Cc1cccnc1NNC(=O)CNC(=O)c1ccc(F)cc1	791223857	LDCGKOJULATABV-UHFFFAOYSA-N	302.309	1.402	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCc2ccc(F)cc2)n1	792764388	SJFKFPCJFWRECT-UHFFFAOYSA-N	316.336	1.716	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1conc1C1CC1	798168118	WONBIAVZRQIWJP-UHFFFAOYSA-N	312.289	1.754	50	20	DDGD	
Cn1nc(-c2ccccc2)c(C=NNC(=O)CCO)c1Cl	1318993241	QRNGYTDOHUSXEC-UHFFFAOYSA-N	306.753	1.573	50	20	DDGD	
COc1cc(C(=O)NNc2nc(-c3ccncc3)no2)ccn1	1318283118	GTYBWGHSGGZXOZ-UHFFFAOYSA-N	312.289	1.292	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCN1Cc1cccnc1)C1CCC1	1318506251	DDHZHYOCHVNRNW-OAHLLOKOSA-N	316.405	1.384	50	20	DDGD	
CCn1nc(C(C)C)cc1C(=O)NNC(=O)c1cccc(C)n1	1322462606	YKLIDWLOUPCITB-UHFFFAOYSA-N	315.377	1.805	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1occ(C)c1C	1328897803	LMMZDBUGYWEJFZ-UHFFFAOYSA-N	302.330	1.909	50	20	DDGD	
CCn1cc(C(=O)NNc2ncc(F)cn2)c(C(F)(F)F)n1	1321157497	BLWWZDRRDLKWIQ-UHFFFAOYSA-N	318.234	1.608	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)o1	1322054888	LIVNBLQSMBWSRI-UHFFFAOYSA-N	316.317	1.159	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C[C@H](O)c1ccc(Cl)cc1	1320574881	ZFJXBDITOLTOJS-NSHDSACASA-N	315.826	1.667	50	20	DDGD	
Cc1cc(Cl)ncc1NC(=O)NNC(=O)C1CCNCC1	1325272842	NVFAVIMYOBJDKS-UHFFFAOYSA-N	311.773	1.196	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCC2CCOCC2)n1	1339818842	PDVBOURVSDOGHX-UHFFFAOYSA-N	309.370	1.236	50	20	DDGD	
Cc1cc(F)c(C(F)(F)F)cc1NC(=O)NNC(=O)CCO	1333444047	PUWZWWRDCHGYPT-UHFFFAOYSA-N	323.246	1.688	50	20	DDGD	
C[C@]1(C(=O)N[C@H](CO)CC(F)(F)F)C[C@H]1Br	1332067059	BBFPCDHKJTVDIS-BBVRLYRLSA-N	304.106	1.589	50	20	DDGD	
C[C@]1(CNC(=O)N2C[C@@H]3CC[C@H](C2)N3)C[C@H]1Br	1332552250	XFPHVRNBEWJBMH-DTHBNOIPSA-N	302.216	1.306	50	20	DDGD	
Cc1cc(COCC(=O)NNC(=O)c2ccccc2C)no1	1336033998	KDINRYJYJZBTRE-UHFFFAOYSA-N	303.318	1.269	50	20	DDGD	
C[C@]1(CCNC(=O)NNC(=O)C2CCNCC2)C[C@@]1(F)Cl	1349580697	FFVLWQRETHHFGC-STQMWFEESA-N	320.796	1.021	50	20	DDGD	
CO[C@@H](C=NNC(=O)CCN1CCC(C)CC1)[C@@H]1CCOC1	1261373440	FOPRNPSQOBUBKO-CABCVRRESA-N	311.426	1.262	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H](C)Cn2ccc(C)n2)cc1	1348503804	YARXUJRKCSLHSJ-LLVKDONJSA-N	316.361	1.297	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)CN3C2)o1	1528017325	MFRXMIKVBXZBON-RAIGVLPGSA-N	305.378	1.469	50	20	DDGD	
O=C(O)CC[C@H](NCc1cccc(B(O)O)c1)c1ccccc1	1601973082	VOINBLHCMZLWKE-INIZCTEOSA-N	313.162	1.062	50	20	DDGD	
CO[C@@H](C(=O)NNc1ccc(CC(=O)O)cc1)C1CCCC1	1606652068	XTWDYMIACZGXDH-OAHLLOKOSA-N	306.362	1.962	50	20	DDGD	
O=C(CCc1ncc[nH]1)NNc1ccc(C(=O)O)c(Cl)c1	1601295211	SVRVDQYENHAPOD-UHFFFAOYSA-N	308.725	1.837	50	20	DDGD	
CC[C@H]1CCC[C@H]1NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1604102050	XTLQEMYYKDSRQS-GXSJLCMTSA-N	316.369	1.467	50	20	DDGD	
C[C@@]1(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)C[C@H]2CC[C@H]1C2	1603748899	ZUTNTGLKQNVVSG-CCUNJIBTSA-N	313.365	1.531	50	20	DDGD	
O=C(NN[C@@H](C(=O)O)c1c(F)cccc1Cl)c1ccccn1	1601557851	XEHJGGXENAGKIQ-GFCCVEGCSA-N	323.711	1.934	50	20	DDGD	
Cc1ncc(CNC(=O)NNc2ccc(CC(=O)O)cc2)s1	1600737692	WQECDCUZYVJOQS-UHFFFAOYSA-N	320.374	1.905	50	20	DDGD	
O=C(Cc1ccc(C(=O)O)cc1)NNc1ccc(Cl)nn1	1608359269	GRGWEGFVRZMYSW-UHFFFAOYSA-N	306.709	1.514	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)[C@H]1CCCC[C@H]1C(=O)O	1608484625	XNQQPOPCVMAPMN-WDEREUQCSA-N	314.345	1.964	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2(CC(=O)O)CCC2)cc1	1604763989	WINSUAZJHRWGRC-UHFFFAOYSA-N	306.318	1.101	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(-c3nn[nH]n3)s2)nc1	1605301167	NAVHWTOOARKPPR-UHFFFAOYSA-N	317.334	1.089	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@H]1CCCO1	1609558985	YIDODLJCKRLCAR-SNVBAGLBSA-N	308.729	1.142	50	20	DDGD	
Cc1nc(C2CCNCC2)sc1C(=O)NNC(=O)C(C)(C)C	1579853027	MZOBRTCLTWMXDW-UHFFFAOYSA-N	324.450	1.726	50	20	DDGD	
O=C(NNc1ccccc1Cc1ccccc1)[C@@H]1COCCN1	1574334303	NXMGADYVOTWRFF-KRWDZBQOSA-N	311.385	1.709	50	20	DDGD	
N[C@H](CC(=O)NNc1ccccc1[N+](=O)[O-])Cc1ccccc1	1580405608	YNDKANZCVXJNPG-ZDUSSCGKSA-N	314.345	1.998	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCC12CCNCC2)c1ccc[nH]1	1580733233	QCLNMWRXEKQVPX-GFCCVEGCSA-N	304.394	1.336	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@H]1CC[C@H]1C(=O)O	1588963900	XTWUFWASEDSZBA-JGVFFNPUSA-N	312.757	1.807	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(Br)c(C(=O)O)c1	1589150379	OIIJWHKTTIIDGW-UHFFFAOYSA-N	316.111	1.320	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@@H]2CNCCC23CCC3)c1	1580060195	TZGTXPOUZFDRDB-NSHDSACASA-N	319.796	1.830	50	20	DDGD	
CC[C@H](C)[C@H](O)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843362200	HERGPMRJRQIZMD-GARJFASQSA-N	320.792	1.131	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)CCC#N)C2	1841667378	IIDHUACBZQKJBE-GFCCVEGCSA-N	311.813	1.901	50	20	DDGD	
CCc1[nH]c(C=NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)cc1C(=O)O	1597380385	ILGWWPKUJRXBEI-IRUJWGPZSA-N	305.334	1.293	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccnc(C(=O)O)c2)C[C@H]1Br	1594027134	MEUYBRPZHWIMCZ-SKDRFNHKSA-N	313.151	1.683	50	20	DDGD	
CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)NNC(=O)C(=O)O	1595204263	DSDBCYLJHPMKQF-JTQLQIEISA-N	313.741	1.076	50	20	DDGD	
C[C@]1(CNC(=O)NNc2ccc(CC(=O)O)cc2)CCCO1	1594019564	IZDUAVVLJUGZSA-OAHLLOKOSA-N	307.350	1.509	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@]1(C)CCCOC1	1599376628	XVUNCZIGEYGIKQ-HNNXBMFYSA-N	308.334	1.653	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNc1ccc(C(=O)O)cc1OC	1596423451	ACLVPHODSXZARX-CYBMUJFWSA-N	321.377	1.711	50	20	DDGD	
CCC/C=C\[C@H](O)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1590569060	MJKIMCLLWQBZLR-RXNFCKPNSA-N	302.338	1.027	50	20	DDGD	
Cn1nc(C(=O)O)cc1C=NNC(=O)c1ccc(Cl)cc1F	1594572193	YIJVVMIOYDYBNY-UHFFFAOYSA-N	324.699	1.675	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NNc2ccccc2C(=O)O)C1	1594624326	OZPULOIUWBBOGP-CABZTGNLSA-N	314.345	1.917	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)Cc1nnc(C)s1	1599377135	LNAVDYSXRWLCKX-UHFFFAOYSA-N	322.346	1.239	50	20	DDGD	
O=C(O)CCCC(=O)NNC(=O)c1cc(-c2ccccc2)on1	1595027775	LRHUUSJKFAQCRX-UHFFFAOYSA-N	317.301	1.358	50	20	DDGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(C(=O)O)cnn2C)cc1	1776120002	SDSUGQJORJZMNC-YRNVUSSQSA-N	310.313	1.972	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1cncc(C(=O)O)c1	1776120591	NOGDNSZPTGWFTM-WUXMJOGZSA-N	303.318	1.230	50	20	DDGD	
N#CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl	1796805894	DAWHMECPPPBOIU-WYFGTUCQSA-N	301.749	1.463	50	20	DDGD	
CCc1cccc(NC(=S)NNC(=O)Cc2cc(C)n[nH]2)c1	17514326	FALVNSXHCMIGFM-UHFFFAOYSA-N	317.418	1.841	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@H](C(=O)O)C1	165365034	PCMKKFSWUDYPOS-NSHDSACASA-N	313.785	1.676	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)c1cc[nH]n1	151247552	HQDUXGLIUUWQOL-UHFFFAOYSA-N	314.280	1.014	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccccc1OC(F)F	155546509	WNPNTMFWOFIORZ-UHFFFAOYSA-N	302.281	1.002	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)nc1	157533317	GQGGLKLCAOAARZ-WDEREUQCSA-N	305.382	1.342	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@@H]2c2sccc2C)[nH]n1	154057031	WBPWGIMFJQFGCM-VHSXEESVSA-N	304.375	1.653	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2ccc(C)cn2)n1	157295411	XQOYQFHBQFNCIN-UHFFFAOYSA-N	300.366	1.783	50	20	DDGD	
COC(=O)N(C)N=CC(C)(C)N1C(=O)c2ccccc2C1=O	495810492	OTKKGPLYXJGCHE-UHFFFAOYSA-N	303.318	1.745	50	20	DDGD	
O=C(NNC(=S)Nc1ccc2c(c1)OCO2)c1ccncc1	6633507	BQQAOKHKWSZRAJ-UHFFFAOYSA-N	316.342	1.442	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cccc(O)c2)cc1	6970497	DDJUHWOTIXNYCC-UHFFFAOYSA-N	300.314	1.541	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNC(=O)c2cccc(Cl)c2)c1	7959738	NPYOHFZICCJFIG-UHFFFAOYSA-N	305.721	1.946	50	20	DDGD	
C[C@H]1CCN(CCI)CC[S@]1=O	307708760	KDJICPGJLQNHNS-QPUJVOFHSA-N	301.193	1.264	50	20	DDGD	
CCCN(CC)CCNC(=O)NNC(=O)c1ccccc1O	175772613	LELOAUQTPHMORE-UHFFFAOYSA-N	308.382	1.068	50	20	DDGD	
Cc1nn(C)cc1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	113013127	HGYWBWNPGVNDJN-JTQLQIEISA-N	320.324	1.096	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCc2cccs2)c1	103505048	ZFVLASDYYCGULE-UHFFFAOYSA-N	300.343	1.764	50	20	DDGD	
Cc1nnc(NNC(=O)c2csc3c2CCCC3)nc1O	23309732	LEJVYRWOOPYRMI-UHFFFAOYSA-N	305.363	1.583	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](C(C)C)N2CCCCC2)n1	174480302	PRPQVMYEGOSGLX-AWEZNQCLSA-N	321.425	1.747	50	20	DDGD	
O=C(NNC(=O)c1cc(F)ccc1O)c1ccc(Cl)nc1	175198532	FHZCXNCMGNVHSF-UHFFFAOYSA-N	309.684	1.655	50	20	DDGD	
Cn1c(SCC(=O)NNC(=O)C(C)(C)C)nc2ccccc21	20829604	ZMOSOOCWXSPRDX-UHFFFAOYSA-N	320.418	1.859	50	20	DDGD	
O=C(NCC(=O)N1CCCC1)NNc1cc(F)c(F)cc1F	115791845	GUNHKPJPDLWANY-UHFFFAOYSA-N	316.283	1.352	50	20	DDGD	
Cc1cc(C)c(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)o1	175387460	ZXMBPAZPUNPPPJ-LLVKDONJSA-N	300.380	1.002	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)CC(C)(C)C)cnc1Cl	117229605	HKMZGHFUBZZCCF-UHFFFAOYSA-N	319.814	1.789	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCn2ccc3ccccc32)cn1	117820446	RXVHIHQNGPVHTF-UHFFFAOYSA-N	311.345	1.226	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)c2ccc(OC)cc2)on1	1261223160	LMXGUVDWWOOOAO-UHFFFAOYSA-N	317.301	1.624	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1nc2ccccc2s1	66687659	AETSWLGOORILGQ-UHFFFAOYSA-N	308.363	1.163	50	20	DDGD	
CCC[C@H](Cc1ccccc1)NC(=O)NNC(=O)COCC	66703461	SYGKTTUWDOTUMD-CQSZACIVSA-N	307.394	1.765	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc2cc(F)ccc2o1	117768435	QVYJIZQCUYXYAP-UHFFFAOYSA-N	309.297	1.552	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1cccc2ccccc12	66701951	IDSCSIRKIFZMPX-UHFFFAOYSA-N	301.346	1.707	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2)C1	127250750	YAASTXNNOVSCDR-JTQLQIEISA-N	306.322	1.296	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1nc2ccccc2s1	125776825	MJIWCTSQYRDZTI-UHFFFAOYSA-N	312.354	1.695	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Cc2nnc(NC)s2)cc1	186315647	YBPHYWYNRYDGCW-UHFFFAOYSA-N	319.390	1.146	50	20	DDGD	
Cc1nscc1C(=O)NNC(=O)COCc1ccccc1	182042153	WNHMAEYVXFSEKD-UHFFFAOYSA-N	305.359	1.429	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2C[C@H]2c2ccco2)n1	123127748	UDKJIXUFBWNQJB-VXGBXAGGSA-N	302.334	1.044	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1cc(F)c(C)cc1F	121562078	IKIZXEBCNOCINY-UHFFFAOYSA-N	307.322	1.176	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc3nc(C)ccc3c2)[nH]n1	127253724	NQWVHNNIDVVAFO-UHFFFAOYSA-N	309.329	1.650	50	20	DDGD	
O=C(COc1ccccc1Cl)NNC(=O)NC1CCCC1	31025295	GIDSEKFZHPLIEW-UHFFFAOYSA-N	311.769	1.992	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccc3nncn3c2)cc1	129869454	HTRLUURGAKGZHM-UHFFFAOYSA-N	309.329	1.367	50	20	DDGD	
CC(C)c1noc2nc(C3CC3)cc(C(=O)NN(C)C(N)=O)c12	181083028	JJBGXGAAKMPXIM-UHFFFAOYSA-N	317.349	1.879	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc(-n2ccnn2)c1	183265560	OIRGYFFIZXJYPT-JTQLQIEISA-N	302.338	1.466	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1	134692383	AZYQSEYPQUWBHS-UHFFFAOYSA-N	300.702	1.602	50	20	DDGD	
COCCOCCC(=O)NNc1ccc(-c2ccccc2)nn1	85654212	SGPJKYXSIAPJJA-UHFFFAOYSA-N	316.361	1.640	50	20	DDGD	
COCCOc1cccc(/C=C(\C#N)S(=O)(=O)N(C)C)c1	195319892	ABOBTHOPBGBXNQ-GXDHUFHOSA-N	310.375	1.468	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)c2cccc3ncccc23)o1	81358407	VUUGJRRKYXXLDO-UHFFFAOYSA-N	310.313	1.914	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NC[C@@H]2CCCOC2)c1	193975561	KDGOIUUWIBZJMO-LBPRGKRZSA-N	320.393	1.123	50	20	DDGD	
NC(=O)CSCC(=O)NNc1ccc(OC(F)(F)F)cc1	269031192	MMFPNGQHXDJGLM-UHFFFAOYSA-N	323.296	1.247	50	20	DDGD	
CCN1CCCC[C@H]1CNC(=O)NNC(=O)c1ccccc1C	264772380	WKAZJRHOWLCCLZ-AWEZNQCLSA-N	318.421	1.813	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCOC2CCOCC2)c(O)c1	267818246	QAHOXFUKHUSNNV-UHFFFAOYSA-N	322.361	1.047	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc(O[C@@H]2CCOC2)cc1	279013156	OUTRNXKTKLZJMW-CQSZACIVSA-N	306.362	1.661	50	20	DDGD	
CCN1CCO[C@H](C(=O)Oc2ccc([N+](=O)[O-])cc2OC)C1	363049322	IFZHFWCPWIRIRZ-ZDUSSCGKSA-N	310.306	1.230	50	20	DDGD	
N#CC1=CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)CC1	270993155	XHSLVWFKWUZEIN-UHFFFAOYSA-N	314.320	1.651	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1	272671769	KZWLBNXRTAIYBH-UHFFFAOYSA-N	308.338	1.565	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccccc1F)N(C)CC(F)(F)F	279721539	UXLOUUMBCXBMLO-MRVPVSSYSA-N	321.274	1.469	50	20	DDGD	
O=C(NCC1CCSCC1)NNc1nc2ccccn2n1	276997465	YBNRXOQJCUYLIP-UHFFFAOYSA-N	306.395	1.499	50	20	DDGD	
O=C([C@H]1CCN(S(=O)(=O)CCCCCl)C1)N1CCCC1	376356159	XOLWVGFJIZVYBY-LBPRGKRZSA-N	322.858	1.280	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)Nc1ccccn1	272999695	ZZUADCODMJAYCA-SECBINFHSA-N	323.353	1.148	50	20	DDGD	
NC(=O)CCCC(=O)NNc1ccc(Br)c(F)c1	280349101	UOVYEKYSPXCECO-UHFFFAOYSA-N	318.146	1.687	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CC(CC(N)=O)C2)cc1	280656783	VAYPDYUSBKGPHU-VGOFMYFVSA-N	313.357	1.326	50	20	DDGD	
CSSCCNC(=O)CCOc1cccc(C(N)=O)c1	284105450	NVLMJOXNYSNRME-UHFFFAOYSA-N	314.432	1.682	50	20	DDGD	
CCn1nc(C)c(NC(=O)C(=O)NCCSSC)c1C	284968666	AVOQXECBBOQXRL-UHFFFAOYSA-N	316.452	1.586	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1ccc(OC)c(Cl)c1	288873480	HAERLFIHHZMYAW-UHFFFAOYSA-N	308.743	1.240	50	20	DDGD	
CN(NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)c1ccccc1	280918585	JDDNGSQARIQPOU-GFCCVEGCSA-N	313.423	1.118	50	20	DDGD	
O=C(CSc1ccc(O)cc1)NNC(=O)NCC(F)(F)F	281315108	SHMYGIMSRQDWJX-UHFFFAOYSA-N	323.296	1.377	50	20	DDGD	
COCCN(C)NC(=O)[C@H](C)Oc1ccc(F)cc1Cl	288549999	PJCYLYOVEDABQP-VIFPVBQESA-N	304.749	1.856	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)C(=O)NC(CC)CC)ccc1O	291835073	DZLQWACNQQRQNZ-UHFFFAOYSA-N	321.377	1.020	50	20	DDGD	
CC(=O)NNC(=O)[C@H](NC(=O)c1ccc(Cl)s1)C(C)C	801102408	POQGQWNKYHZKLM-SNVBAGLBSA-N	317.798	1.323	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNc1cccc(NC(C)=O)c1	293990077	SHPQOXCPHYWZEX-UHFFFAOYSA-N	320.393	1.737	50	20	DDGD	
O=C(NNC(=O)c1cccc2ncccc12)c1cccc(O)n1	801618048	SHEMNCPCZIRMQK-UHFFFAOYSA-N	308.297	1.410	50	20	DDGD	
CC(C)C(=O)NN=Cc1ccc(S(N)(=O)=O)c(Cl)c1	807954589	WMPFOBKYHLTQPJ-UHFFFAOYSA-N	303.771	1.094	50	20	DDGD	
O=C(NN=Cc1cnccn1)c1nn(-c2ccccc2)cc1O	807956617	VDXBYYLERVBOIF-UHFFFAOYSA-N	308.301	1.132	50	20	DDGD	
C[C@H](CNC(=O)NNc1ccncn1)N(C)Cc1ccccc1	296782413	XMHQWYKUWMPOHY-CYBMUJFWSA-N	314.393	1.623	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNC(=O)Cc2ccncc2)cn1	806996306	SFYYPZUIAHBJTN-UHFFFAOYSA-N	313.361	1.173	50	20	DDGD	
Cc1cn2c(=O)c(C(=O)N(C)CC(Cl)Cl)cnc2s1	808246119	RJNSMLWYZUVPMV-UHFFFAOYSA-N	320.201	1.940	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)c1cc(OC)cc(OC)c1	807951101	HMPDLCKQVBPQSB-UHFFFAOYSA-N	312.329	1.297	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])C1CCN(C2CC2)CC1	802557801	DSIHTYXCQDXSJM-UHFFFAOYSA-N	305.338	1.307	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CC1(CS(C)(=O)=O)CC1	808246891	NAQDJYCEGRGJHU-UHFFFAOYSA-N	302.223	1.463	50	20	DDGD	
CCCNC(=O)CCC(=O)NNc1cc(C(F)(F)F)ccn1	295427721	UNYGUPWXSQBQLL-UHFFFAOYSA-N	318.299	1.850	50	20	DDGD	
COc1cccc2c(C(=O)NNC(=O)CC(F)(F)F)n[nH]c12	809616873	BBDMIWJSYQGDSH-UHFFFAOYSA-N	316.239	1.285	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1cccc(OCC(N)=O)c1	298710374	FTIVCTQTVLVLSU-UHFFFAOYSA-N	324.337	1.112	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802107443	UXUPIGISSAZBMG-CQSZACIVSA-N	309.322	1.383	50	20	DDGD	
CCCc1noc2nc(CC)cc(C(=O)NNC(=O)NCC)c12	800329015	YNVNFHNHQCPMFM-UHFFFAOYSA-N	319.365	1.702	50	20	DDGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCC#CCO)c1C	298895810	KCXKTETWOCOBKH-SFQUDFHCSA-N	313.401	1.924	50	20	DDGD	
CCc1nc(C(=O)NN(C)CCOC)nn1-c1ccccc1F	297139983	QRDBCLJDMFFQOZ-UHFFFAOYSA-N	321.356	1.192	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CCc2cncnc2)cc1	816596978	ZANVSXCNGXZXAP-UHFFFAOYSA-N	315.333	1.271	50	20	DDGD	
Cc1ccc(F)c(NC(=O)C(=O)NNc2ncncc2F)c1	815764793	VDIWUHMYDMAPPZ-UHFFFAOYSA-N	307.260	1.145	50	20	DDGD	
Cc1nc(C(C)(C)C)sc1C(=O)NNC(=O)c1ccnnc1	817693235	ISEDKBUFHHUDHE-UHFFFAOYSA-N	319.390	1.614	50	20	DDGD	
O=C(CSc1ccc2c(c1)OCCO2)NNC(=O)CC1CC1	819123241	VCCUNPTYKJLHKU-UHFFFAOYSA-N	322.386	1.497	50	20	DDGD	
Cc1ccc(NCC(=O)NN=C2CCN(C(N)=O)CC2)cc1	812382634	MGFHNMIIGSSTAO-UHFFFAOYSA-N	303.366	1.054	50	20	DDGD	
Cn1cncc1CNC(=O)NNC(=O)c1cccc2cccnc12	811871000	OEGDMSDJEUQAEV-UHFFFAOYSA-N	324.344	1.113	50	20	DDGD	
CCCN1C[C@H](CNC(=O)NNc2ncccc2C)CC1=O	817174163	ZUYVOYJCYCOLHZ-LBPRGKRZSA-N	305.382	1.275	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)c1ccc(OC)cc1OC	812502388	KCBDQXACGXXZMR-MNOVXSKESA-N	324.377	1.383	50	20	DDGD	
C=CCNC(=O)[C@H](C)OC(=O)/C(C#N)=C/c1cccc(OC)c1	729272672	VDLLQLSTDLPIRL-IGVUGNCQSA-N	314.341	1.836	50	20	DDGD	
Cn1c(=O)oc2cc(NC(=O)NNc3ncncc3F)ccc21	814632609	SDSLBLQMBUFPOV-UHFFFAOYSA-N	318.268	1.209	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)CCCc2ccccc2)cn1	728825596	FETADFLNDRACAK-UHFFFAOYSA-N	307.353	1.847	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1cc(F)ccc1F	825937788	CAODQYBUVDLYBJ-KWQFWETISA-N	313.304	1.220	50	20	DDGD	
CC(C)n1cc([C@H](C)NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cn1	825989351	BONJNCLMJHZHEI-LOWVWBTDSA-N	323.397	1.280	50	20	DDGD	
CCCN(CC)C(=O)c1ccc(C(=O)NNC(=O)OCC)cc1	491224541	FNFKOUICTVJGCU-UHFFFAOYSA-N	321.377	1.950	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H]2COC[C@H]2OC)cc1	491009816	KVXCQIYMIRHZHS-NWDJSDSRSA-N	316.357	1.522	50	20	DDGD	
O=C(/C=C\c1ccccc1)NNC(=O)c1ccc2c(c1)OCCO2	490762932	KOGRIKJYGMBXFL-TWGQIWQCSA-N	324.336	1.932	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCCO[C@@H](c2ccccc2)C1	827696395	JVFVFUKNHSRLOV-OAHLLOKOSA-N	319.405	1.253	50	20	DDGD	
CC(=NNC(=O)CCNC(=O)OC(C)(C)C)c1cnn(C)c1	495086103	KKCIMONGETUTCH-UHFFFAOYSA-N	309.370	1.175	50	20	DDGD	
COC1CCC(=NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1	826144452	JZVWKWIOBGPGKZ-UHFFFAOYSA-N	314.349	1.542	50	20	DDGD	
Cc1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c(O)c1C	826281773	JNDQMJSRLUKVRA-UHFFFAOYSA-N	324.344	1.946	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cnn(-c2ccccc2F)c1C	495629055	NSLSLPIXRJFWCB-UHFFFAOYSA-N	306.297	1.663	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-]	823889411	VPZZBIQANSOCEE-UHFFFAOYSA-N	321.255	1.573	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1coc(-c2c(F)cccc2F)n1	823916910	AYNLFSQSDSQCGJ-QMMMGPOBSA-N	311.288	1.577	50	20	DDGD	
Cc1oc(-c2cccs2)nc1CC(=O)N1CC[C@@H](B(O)O)C1	585070523	YZNOMJRCFDEBJU-SNVBAGLBSA-N	320.179	1.329	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCCc2cc(F)c(F)cc21	828121789	BKEALJMVJBOWER-UHFFFAOYSA-N	311.332	1.521	50	20	DDGD	
CCOc1ccc(OCC)c(NCc2ccc(B(O)O)cc2)c1	585012261	RMYYMMGXKLXHNN-UHFFFAOYSA-N	315.178	1.776	50	20	DDGD	
COc1cc(C)ccc1CNCc1ccc(B(O)O)cc1F	585028648	OANVOXLIEDBXCV-UHFFFAOYSA-N	303.142	1.112	50	20	DDGD	
CCCc1nc(C)c(-c2nc(-c3ccc(B(O)O)cc3)no2)o1	585053347	DXYOLSXHRFHXKU-UHFFFAOYSA-N	313.122	1.332	50	20	DDGD	
CCN(CCO)NC(=O)Cc1csc(-c2ccc(C)o2)n1	823846203	FHTNYONMJGKQIM-UHFFFAOYSA-N	309.391	1.599	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCc1ccc(Br)cc1	823951036	HHOKTCFFHLQNAA-SNVBAGLBSA-N	315.211	1.726	50	20	DDGD	
O=C(Cn1ccc2ccc(Cl)cc21)N1CC[C@H](B(O)O)C1	585067522	XMFLLUHQVHDPRX-NSHDSACASA-N	306.558	1.370	50	20	DDGD	
C[C@H]1C[C@H]1c1ccc(-c2nc(-c3cccc(B(O)O)c3)no2)o1	585054339	SWGIIYCLBMOZFP-JOYOIKCWSA-N	310.118	1.800	50	20	DDGD	
C[C@H]1CCN(Cc2ccccc2)CC1=NNC(=O)c1ncon1	901289054	AEBFMHXDBUZESZ-LBPRGKRZSA-N	313.361	1.697	50	20	DDGD	
CCC[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C(=O)OC	490913108	YLBDPUMKHOOHMW-UQTJOTSZSA-N	302.330	1.757	50	20	DDGD	
COc1ccc(CC(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1	826190724	LDLDJKNVVHYSHQ-UHFFFAOYSA-N	324.344	1.561	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cc(C(=O)O)c(C)cc1C	490701022	WBTNLJGEWRLFEY-QPEQYQDCSA-N	302.330	1.671	50	20	DDGD	
Cc1ccc(OCCCCNCc2cccc(B(O)O)c2)cc1	585017502	YJTYXOIFUHLHHC-UHFFFAOYSA-N	313.206	1.624	50	20	DDGD	
CON=Cc1ccc(C(=O)NN=c2cnc3ccccc3[nH]2)cc1	588470750	WLHUTXLNXUJYQV-UHFFFAOYSA-N	321.340	1.789	50	20	DDGD	
CC(C[C@H]1CCOC1)=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	820235981	WCCOOUSOYNQFJT-LLVKDONJSA-N	314.349	1.399	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1cccc(Cl)c1	825517947	CBGKNKDEOIQISN-SKDRFNHKSA-N	311.769	1.595	50	20	DDGD	
CC(C)CCC(=O)NCC(=O)NNc1cnnc2ccccc12	733810852	CFKOMDNMBYGZJK-UHFFFAOYSA-N	315.377	1.625	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)[C@@H]1C[C@H]2CC[C@H]1O2	733775962	WYWGYAWYQZZZIW-GMTAPVOTSA-N	301.306	1.142	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=S)NCCc2cccs2)C1	820165078	ORYYPPHUDCPEML-SECBINFHSA-N	311.432	1.155	50	20	DDGD	
COc1ccc(-c2nnc(N3CC[C@@H](B(O)O)C3)s2)cc1	585079305	XONPRBXQRLUCRE-SNVBAGLBSA-N	305.168	1.267	50	20	DDGD	
CCOC(=O)N1CCC[C@@H](C(=O)NNc2cc(C)ncn2)C1	491440808	PJUPAJPWJVGMQB-LLVKDONJSA-N	307.354	1.097	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNc1cccc([N+](=O)[O-])c1C	839709954	VPPNOICBWOIGIM-SNVBAGLBSA-N	309.322	1.936	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NN=C1CCC(O)CC1	496006354	MCGIVDDLJBXWMC-UHFFFAOYSA-N	314.386	1.101	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1N1CCC(=NNC(=O)C(=O)NC2CC2)CC1	733906763	GIKBIEWXICQWHF-DOMZBBRYSA-N	320.437	1.412	50	20	DDGD	
CC(C)c1c(C(=O)NCB(O)O)cnn1-c1cccc(Cl)c1	585055834	JRWHUDVNUIDMNM-UHFFFAOYSA-N	321.573	1.391	50	20	DDGD	
C[C@H]1Sc2ccc(C(=O)NNc3cccnn3)cc2NC1=O	736704010	DKOFKMKGYLSHQK-MRVPVSSYSA-N	315.358	1.666	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC1CCC(OC)CC1	838758024	JNGBAHCNORGJQP-UHFFFAOYSA-N	321.377	1.597	50	20	DDGD	
C[C@H]1CCc2[nH]nc(C(=O)NNC(=O)NC3CCCC3)c2C1	900413518	VHWAMTCGVUAXLL-VIFPVBQESA-N	305.382	1.421	50	20	DDGD	
COc1ccc2cc(C(=O)NNC(=O)c3c[nH]nc3C)[nH]c2c1	731851818	SFXJTWCSAAYXIZ-UHFFFAOYSA-N	313.317	1.283	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCC(C2CCCCC2)CC1	585002639	BKYNCZRZDXZJIZ-UHFFFAOYSA-N	315.222	1.799	50	20	DDGD	
C[C@H](N)C[C@H](C)NC(=O)NNC(=O)Nc1cc(F)cc(F)c1	831224047	VOYISYZGVZDXCD-YUMQZZPRSA-N	315.324	1.426	50	20	DDGD	
CCCN1C[C@H](C(=O)NNc2ccccc2[N+](=O)[O-])CC1=O	839484109	CKJXBHBAYCCLML-SNVBAGLBSA-N	306.322	1.296	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)[C@@H](C)NS(C)(=O)=O	836935276	WEXDDFUVXYVADC-MRVPVSSYSA-N	305.787	1.029	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)c1cnn(C)c1)O[C@H](C)C2	735412404	ZNSCMVZTHFVHPV-SNVBAGLBSA-N	314.345	1.516	50	20	DDGD	
Cn1c(=NNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)sc2ccccc21	905842693	DAYHXUHTAOBITQ-BZHVJNSISA-N	301.371	1.397	50	20	DDGD	
CC(C)[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)[C@@H]1C(C)C	584996372	GIZGRHNBPWCJOA-UKRRQHHQSA-N	307.174	1.258	50	20	DDGD	
CC(C)CN(C(=O)c1cc(B(O)O)ccc1F)C1CCCCC1	584934294	QEXIVWFIFDIWNW-UHFFFAOYSA-N	321.201	1.936	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccsc1NC(=O)c1ccco1	731472756	JVFUOMDRSMSVMQ-UHFFFAOYSA-N	322.346	1.557	50	20	DDGD	
O=C(COC(=O)CCC1CC1)NNC(=O)c1cccc(Cl)c1	734612138	UXBOYTVLLRLFOL-UHFFFAOYSA-N	324.764	1.834	50	20	DDGD	
C[C@]1(C(=O)NC[C@@H](CO)Cc2ccco2)C[C@H]1Br	906051031	OIRBOYNPZKZWPF-NDMJEZRESA-N	316.195	1.720	50	20	DDGD	
CC/C=C\CNC(=O)NNC(=O)c1cc(Br)c[nH]1	836193029	IXRHVSUTHMVLHX-ARJAWSKDSA-N	315.171	1.687	50	20	DDGD	
CO[C@H](C1CC1)[C@@H](C)NC(=O)NNC(=O)Cc1ccccc1F	836642036	PRTLULAPKDUNGR-BMIGLBTASA-N	323.368	1.512	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NNC(=O)CCCF)n[nH]1	831429618	QLOKHHOGYXVCOI-UHFFFAOYSA-N	320.324	1.596	50	20	DDGD	
COc1cccc([C@H]2C[C@H](NCc3ccccc3B(O)O)C2)c1	585044581	NDQYHEDLISIORK-WKILWMFISA-N	311.190	1.411	50	20	DDGD	
O=C(C[C@@H]1C[C@H]2CC[C@H]1O2)NNC(=O)c1cc(Cl)ccc1O	839478332	MIIDBHGXGATVHF-IYYTYJHQSA-N	324.764	1.764	50	20	DDGD	
Cc1nc2ccccc2n1CCCNCc1cccc(B(O)O)c1	585014435	REQABPZSRAVTQM-UHFFFAOYSA-N	323.205	1.204	50	20	DDGD	
CCC(CC)NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1cnn(C)c1	837968889	HIXNGYDECAGNST-NUBYWOLOSA-N	318.377	1.564	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@@H](C)c2cnn(C)c2)c(O)c1	839551994	XQQSBHOLNAEHGA-LLVKDONJSA-N	316.361	1.389	50	20	DDGD	
O=C(O)CCCN1CCC(=NNC(=O)c2ccccn2)CC1	739672430	HMHAYNCGSNZNLJ-UHFFFAOYSA-N	304.350	1.128	50	20	DDGD	
CCOc1ccccc1CCNC(=O)NNc1ccncn1	836273421	ZQBIPRVRQKWQBO-UHFFFAOYSA-N	301.350	1.744	50	20	DDGD	
O=C(CCc1nc(-c2ccoc2)no1)NNC(=O)C1CCCC1	739510412	QLQNQCWWFJTIKG-UHFFFAOYSA-N	318.333	1.600	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cc2c(cn1)CCC2	831840407	NWYHGAFEELTOSL-BXKDBHETSA-N	304.350	1.148	50	20	DDGD	
CO[C@@]1(C)C[C@@H](NCC(=O)NNC(=O)c2ccccc2)C1(C)C	831343707	LQZMHKOUPMSBDI-DYVFJYSZSA-N	319.405	1.241	50	20	DDGD	
CCc1ncncc1C(=O)NNC(=O)c1cc(Cl)ccc1O	743293458	PBKLUBDSXWTKOS-UHFFFAOYSA-N	320.736	1.473	50	20	DDGD	
C[C@@]1(C(=O)NCc2nc(C(F)F)no2)C[C@H]1Br	911271476	UUOQDSKQMIFWDD-ALFREKQPSA-N	310.098	1.797	50	20	DDGD	
Cc1nnc(-c2cccc(C(=O)NNC(=O)c3ccc[nH]3)c2)o1	746103657	RQNMLAQNUFPZLX-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
CC[C@@H](NC(=S)NNC(=O)c1cc[nH]n1)c1cccs1	849277143	WCCLWOMYBULBOK-MRVPVSSYSA-N	309.420	1.731	50	20	DDGD	
C[C@H](Cc1cnc[nH]1)C(=O)NNC(=O)Cc1ccc(Cl)cc1	847291218	KZEKXEWTAANAPF-SNVBAGLBSA-N	320.780	1.632	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=C1CCOc2c(F)cc(F)cc21	842554530	JLFNQIDLVLQWFE-SCZZXKLOSA-N	310.300	1.993	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc(-n2ccnc2O)cc1	845149476	INBVLHVALJTEHN-UHFFFAOYSA-N	302.334	1.385	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cc(N)nc(Cl)c2)n1	748334799	KLWTYPVCMWSECS-UHFFFAOYSA-N	313.148	1.826	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=Cc2cccc([N+](=O)[O-])c2)cc1	916300236	UUMQYMBMIXVMNH-UHFFFAOYSA-N	324.296	1.996	50	20	DDGD	
O=C(NNc1ccc(Br)cc1Cl)NC1CNC1	841951754	QNZPMWHWLYLTRV-UHFFFAOYSA-N	319.590	1.700	50	20	DDGD	
CCS(=O)(=O)C[C@@H](C)NC(=O)NNc1ccc(F)c(F)c1	918621753	RFJFSHMBAOPJCA-MRVPVSSYSA-N	321.349	1.414	50	20	DDGD	
Cc1ccc(C(=O)NN=C2CCCC[C@H]2S(C)(=O)=O)c(O)c1	741460871	DHEJFEOEAMIYEX-CQSZACIVSA-N	324.402	1.774	50	20	DDGD	
CC(C)C[C@@H](CN)NC(=O)NNC(=O)CCOc1ccccc1	841953465	IQSQTTQESZMPAO-ZDUSSCGKSA-N	322.409	1.159	50	20	DDGD	
NC[C@H]1CCCC[C@H]1NC(=O)NNc1ncnc2ccsc12	841952574	CFCMFTXRYQBWFS-NXEZZACHSA-N	320.422	1.835	50	20	DDGD	
NC(=O)C1(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)CCC1	748733004	TXECJZCPGYCYOK-UHFFFAOYSA-N	312.713	1.347	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC12CCCC2)[C@@H]1COc2ccccc2O1	747296002	VERSMOYNAHCZDG-RISCZKNCSA-N	316.357	1.554	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1cccc2ccsc12	845299784	NTVSLBQFQGZTID-UHFFFAOYSA-N	307.375	1.768	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cncc(C)c2)cc1OC	742473265	ZIZVTSGGWFSLBF-UHFFFAOYSA-N	315.329	1.482	50	20	DDGD	
Cc1c(C(=O)NNc2nccn(C)c2=O)cnn1-c1ccccc1	747942417	GGPNORLYKKXOOP-UHFFFAOYSA-N	324.344	1.031	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)c1cccc2ccccc12	741462954	TVPRXFFWGNVVKW-UHFFFAOYSA-N	304.371	1.990	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=S)Nc1ccc2c(c1)CCC2	843277696	SPVHYIDMJPVUQZ-QMTHXVAHSA-N	319.430	1.918	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)CNC(=O)c2cccnc2)C[C@H](C)C1	747765678	HTTOVSDGISDZTL-TXEJJXNPSA-N	302.378	1.740	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1ccc2nc(O)[nH]c2c1	748260874	ZFJZRASOVFDPMQ-SNVBAGLBSA-N	320.349	1.160	50	20	DDGD	
NS(=O)(=O)c1ccc(CC(=O)NNc2cccc(F)c2)cc1	748090387	NMAWMKFOUIXAJZ-UHFFFAOYSA-N	323.349	1.159	50	20	DDGD	
CC[C@H](C)Oc1cccc(S(=O)(=O)NN(C)C(=O)OC)c1	849391952	KJSTYMVVQFWDSE-JTQLQIEISA-N	316.379	1.755	50	20	DDGD	
CC[C@@H](N)CNC(=O)NNC(=O)Nc1cc(F)cc(F)c1	842005706	JRTCUPGXQLOLQD-SECBINFHSA-N	301.297	1.038	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCC2(CCOCC2)CC1	751529285	OLILWKILRNYBND-CYBMUJFWSA-N	312.410	1.881	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NN=Cc2cn(C)nc2C)c1	755505814	ULEAQUXTBVNSRF-UHFFFAOYSA-N	300.362	1.874	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(C(F)(F)F)nc1O	920764764	BBUXDTNUIHRWSK-UHFFFAOYSA-N	320.271	1.550	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]23)c1	858301490	ZCDANUNPUPONQJ-QJPTWQEYSA-N	323.418	1.958	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@H]1CCN2CCCC[C@@H]12	856841158	CHRUBCIICUMFFN-QWRGUYRKSA-N	310.789	1.383	50	20	DDGD	
C#CCN1CCC[C@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)C1	923584206	PHYVLQAQVUKTFQ-HKBKRHGFSA-N	311.360	1.946	50	20	DDGD	
Cc1nn(C)c(C)c1OCC(=O)NNc1ccnc(Cl)c1	855467523	AZSZACIEFNEDJI-UHFFFAOYSA-N	309.757	1.607	50	20	DDGD	
Cc1ccc([C@@H](C)[C@@H](O)C(=O)NNC(=O)CC(F)(F)F)cc1	855000727	NTEMVELRCGQORU-BXKDBHETSA-N	318.295	1.559	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2c(C3CC3)cnn2C)n1	854957535	XFEBDOUOQBYMMM-UHFFFAOYSA-N	306.757	1.806	50	20	DDGD	
O=C(NNC(=O)c1cc(F)cc(F)c1O)NC1CCCCC1	929247214	ZCEZLGQMBCVZJE-UHFFFAOYSA-N	313.304	1.947	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2ccc(-c3ccccc3)nn2)CC1	754471683	IOGMQCGFQJZRJD-UHFFFAOYSA-N	311.345	1.113	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1ccc([N+](=O)[O-])cc1OC	853295151	CMGTZPRRBFIYBA-UHFFFAOYSA-N	324.337	1.663	50	20	DDGD	
O=S(=O)(CCl)NC[C@H](O)c1cc(F)c(F)c(F)c1	851881684	NYDPDAOZEPNKOY-QMMMGPOBSA-N	303.689	1.253	50	20	DDGD	
CCN1CC[C@H](NC(=O)NNc2ccc(Cl)c(C)c2)C1=O	922384437	SPZYQISPUSWJFN-LBPRGKRZSA-N	310.785	1.895	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NN=Cc1cscn1	853376599	PTNFWPJPEGMFCZ-DGCLKSJQSA-N	319.390	1.495	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C1(C#N)CCCCC1	854280083	KNLYATRHXXDRFK-UHFFFAOYSA-N	312.439	1.334	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2ccnnc2C)cc1	753116577	SGESVLGHTXPFLE-UHFFFAOYSA-N	314.345	1.187	50	20	DDGD	
O=C(NCc1nc2c(s1)CCC2)NNC(=O)c1ccccc1	924583412	ZJFYQIGLUHFTPN-UHFFFAOYSA-N	316.386	1.776	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)C(F)(F)C1(O)CCCC1	857357930	IURPZHHCEQULDC-UHFFFAOYSA-N	306.700	1.514	50	20	DDGD	
Cn1c(=NNC(=O)CCn2ccnc2)sc2ccccc21	751315534	OFNSGPASUZGQME-UHFFFAOYSA-N	301.375	1.459	50	20	DDGD	
Cc1cc(C(N)=O)ccc1NC(=O)NNC(=O)CC1CCCC1	755806962	QTLLDGWBWMNQQA-UHFFFAOYSA-N	318.377	1.827	50	20	DDGD	
CSCCNC(=S)NNC(=O)CCOc1ccccc1	752752306	XDJDRNBNJWMQEV-UHFFFAOYSA-N	313.448	1.314	50	20	DDGD	
Cc1nn(C)c(Cl)c1C(=O)NNC(=S)N[C@@H](C)C1CC1	855102751	NAYLVKRHIDAOJK-LURJTMIESA-N	315.830	1.289	50	20	DDGD	
CC(C)COc1cccc(NC(=O)NNC(=O)c2cc[nH]n2)c1	853822976	WJLGKMWFHITUEV-UHFFFAOYSA-N	317.349	1.911	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)CC1=CCCCC1	855831550	WLXSXFGGNHGBQD-UHFFFAOYSA-N	323.437	1.967	50	20	DDGD	
Cc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	855005957	KVHBBUDPZBDMIC-UQOMUDLDSA-N	302.374	1.671	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc21)OCC(F)(F)F	856023423	IRFBTKMKDJPZRA-QMMMGPOBSA-N	304.224	1.482	50	20	DDGD	
COc1ccc(NNC(=O)NCC2SCCS2)nc1	852669534	VIMYIJXHCGPUFA-UHFFFAOYSA-N	300.409	1.522	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)CCc2ccon2)c1	854191979	YKVZHTYPBOLNPI-UHFFFAOYSA-N	317.345	1.450	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ccc(NC3CC3)nc2)n1	753449512	GUOGVEPLRMFCKU-UHFFFAOYSA-N	319.756	1.438	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N[C@](C)(C2CC2)C(F)(F)F)n[nH]1	933579592	NWBSWTYPNSSEJP-LLVKDONJSA-N	319.287	1.393	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)NCC2(C)CC2)c1	752019104	GWIKOFYDYWZNCK-UHFFFAOYSA-N	307.350	1.448	50	20	DDGD	
COc1ccc(C(=O)NNc2ncccc2[N+](=O)[O-])c(O)c1	759304077	ZEAJPZIYFVZULL-UHFFFAOYSA-N	304.262	1.461	50	20	DDGD	
Cc1nc(C(=O)NN[C@@H](C)C(F)(F)F)nn1-c1ccccc1	862313701	MVTOGJWOIDXFOK-QMMMGPOBSA-N	313.283	1.761	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCn3cccc3C2)c1	932528317	BLRDNTDXWKCYBB-UHFFFAOYSA-N	312.373	1.073	50	20	DDGD	
N#CSCCCNC(=O)c1ncc(Br)cn1	935843089	JYIDMLINKXTMOO-UHFFFAOYSA-N	301.169	1.573	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccccc2O)nc1Cl	768687230	MOSFFPAULZHGDC-UHFFFAOYSA-N	321.720	1.524	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H]2CCO[C@H](C)C2)cc1	769736192	RXSYBDRJZKUNEL-BXUZGUMPSA-N	305.378	1.761	50	20	DDGD	
CCCn1cc(C(=O)NNc2ncnc3ccsc23)nn1	767090381	ZSSFEWYPMSGVHT-UHFFFAOYSA-N	303.351	1.450	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C2CCCC[C@H]2N2CCCCC2)N1	863149433	ZQPRHJCFRGRGPE-ZIAGYGMSSA-N	306.410	1.166	50	20	DDGD	
CC[C@H](C)c1ccc(S(=O)(=O)NNC(=O)c2cn[nH]c2)cc1	863413296	DYPBLFQVURRCID-JTQLQIEISA-N	322.390	1.547	50	20	DDGD	
Cc1coc(-c2cccc(NCc3cccc(B(O)O)c3)c2)n1	864031250	YMUOFLBZQXXNLO-UHFFFAOYSA-N	308.146	1.942	50	20	DDGD	
Cc1ccc(C(=O)NN=C2C(=O)Nc3cc(N(C)C)ccc32)o1	761810277	NXCLCZJAABJQTR-UHFFFAOYSA-N	312.329	1.740	50	20	DDGD	
Cc1ccc2occ(CC(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)c2c1	862095792	OYGQDUZMNSOHCJ-DGCLKSJQSA-N	316.357	1.856	50	20	DDGD	
CCn1cc(C(=O)NNc2ncncc2Cl)c(C2CC2)n1	867653466	XXBURZCTXNTRKB-UHFFFAOYSA-N	306.757	1.981	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)c2cnccn2)[C@H](C)C1	761252149	FNBGFVDNVZVULP-MNOVXSKESA-N	304.350	1.562	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)c1cc(Br)c[nH]1	864604531	XZOPOZZYPAOKJF-UHFFFAOYSA-N	318.171	1.353	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)C(C)(C)C)c(F)cc1C#N	861264549	IBJDRWJOAVTDFI-UHFFFAOYSA-N	308.313	1.905	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCCO2)c1ccnc(C)n1	1116776976	ACENMLYPABWBIT-UHFFFAOYSA-N	312.329	1.710	50	20	DDGD	
Nc1cnnc(NNC(=O)C2(C(F)(F)F)CCC2)c1Cl	1117757457	ZSGRUAHKUYNHAA-UHFFFAOYSA-N	309.679	1.888	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCN([C@H]2CCCC[C@H]2C)CC1	779817666	UIAKGUKCLFDORD-OCCSQVGLSA-N	324.425	1.489	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1C[C@H](OC(C)(C)C)C1(C)C	875673816	SRIKVOFEPFTGGD-ZJUUUORDSA-N	301.387	1.881	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)CC1CCOCC1	773620778	TUIKLZVPJUPBLY-UHFFFAOYSA-N	310.325	1.872	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCc1nn(C)c2ccccc12	773475093	WQCPCAIHXYZBLI-UHFFFAOYSA-N	317.393	1.492	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)CCC(=O)N(C)OC)cc1	1117782731	QNWRESLMTFZJQU-UHFFFAOYSA-N	307.350	1.601	50	20	DDGD	
CC(C)(C)c1nn(-c2ccccc2)cc1C=NNC(=O)CO	776780446	JHRYXCNABJQNHD-UHFFFAOYSA-N	300.362	1.612	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNC(=S)Nc1cccc(C)c1	770862185	QCLHCDKGNATHHE-UHFFFAOYSA-N	317.418	1.922	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccnc(Br)c1C	879660007	LXQQEXVDOUZTGG-UHFFFAOYSA-N	317.143	1.887	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=C2CCO[C@H](C)C2)n1	773185823	GOWQUJDFNZZKGD-LLVKDONJSA-N	308.407	1.857	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CCOc1cccc(C)c1	771870308	JBYOXGSMNSCIRV-LBPRGKRZSA-N	322.361	1.253	50	20	DDGD	
CCOCCC1(C(=O)NNC(=S)Nc2ccccn2)CCC1	874956305	SJQOTKOZAOILDM-UHFFFAOYSA-N	322.434	1.996	50	20	DDGD	
COC(=O)NNC(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C	878000887	MZXCWHBVBRWRNK-JTQLQIEISA-N	317.386	1.655	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCc1ccccc1OC(F)F	875527053	UOLGFMNTUSBWEB-UHFFFAOYSA-N	317.292	1.743	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccnc(OC(C)C)c2)n1	779928889	LYRUCFMIBKWNFG-UHFFFAOYSA-N	318.337	1.816	50	20	DDGD	
CCO[C@@H](C)C(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	772965735	FNWYLPAOMUDGEM-UWVGGRQHSA-N	314.769	1.680	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cnc([C@H](C)O)s2)n1	773017280	GUEYZKHYWDNOBW-JTQLQIEISA-N	307.379	1.160	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2C[C@H]2c2ccco2)cc1O	882051926	RPNRUIGDCOHKMY-VXGBXAGGSA-N	300.314	1.858	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1c[nH]nc1C1CC1	789735322	MIQNWWLGDACROJ-UHFFFAOYSA-N	323.356	1.772	50	20	DDGD	
O=S(=O)(CCCCCl)Nc1ccn(CC(F)F)n1	788059957	VJPOCEZVHYZGKH-UHFFFAOYSA-N	301.746	1.909	50	20	DDGD	
COCCONC(=O)NNC(=O)Cc1ccc2ccccc2c1	789337386	PLIHAGPFNSNXEF-UHFFFAOYSA-N	317.345	1.291	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CN(C)[C@H]1CCSC1	780732728	WICCXKNAXJVGSR-NSHDSACASA-N	323.418	1.354	50	20	DDGD	
CCC[C@@H](NC(=O)NNC(=O)c1cccnn1)c1ccccc1	883071738	LMCNNMDQONMWRE-CYBMUJFWSA-N	313.361	1.962	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1cc(Cl)cs1	782171501	ZPSHIEASSXCYQM-SNVBAGLBSA-N	315.826	1.820	50	20	DDGD	
COc1cccc(NNC(=O)Nc2ccc(C(N)=O)cc2F)n1	780584756	GPWWXVPYNDHGHI-UHFFFAOYSA-N	319.296	1.477	50	20	DDGD	
O=C(NN=C1CCCOc2cc(F)ccc21)C(=O)NC1CC1	781587383	FPYCLIUANZGYOI-UHFFFAOYSA-N	305.309	1.097	50	20	DDGD	
CC(C)(O)CCC(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1	787479615	HAGRPJRAVLXZBL-UHFFFAOYSA-N	322.390	1.450	50	20	DDGD	
CCCOc1ccccc1NC(=O)C(=O)NNc1cccnn1	784862597	MLHVCKRRUBKXLU-UHFFFAOYSA-N	315.333	1.347	50	20	DDGD	
CC[C@@H](OC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C)C(=O)OC	782628518	NQVBODPWFGYISK-NFEOESJKSA-N	315.329	1.607	50	20	DDGD	
COC[C@H](CNC(=O)NNc1ccc(Cl)c(OC)c1)OC	789166689	HHUHWWZOYVCLSA-JTQLQIEISA-N	317.773	1.636	50	20	DDGD	
COC(=O)N(C)N=C1C(=O)Nc2cc(Br)ccc21	794959427	CODHBDWKEXUEIW-UHFFFAOYSA-N	312.123	1.804	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC(=O)N(C2CC2)C1	791191358	LUKBCQOSVFUQIF-JTQLQIEISA-N	303.200	1.587	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNC(=O)c1ccncc1	790097707	YASYOQKMDZFABJ-UHFFFAOYSA-N	300.318	1.259	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)Cc2ccncc2)[C@H](n2cncn2)C1	794515218	YZPVYQVWZMCCOM-IUODEOHRSA-N	312.377	1.749	50	20	DDGD	
COc1cc(NNC(=O)CN2CSCC2=O)ccc1Cl	790186853	LOXLLIAHOLYIQM-UHFFFAOYSA-N	315.782	1.325	50	20	DDGD	
COC(=O)C[C@@H]1CCC(=NNC(=O)Cc2cccnc2)[C@H]1C	794508739	RPXKSAORECSMSO-AAEUAGOBSA-N	303.362	1.706	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=C1CCC12CCOCC2	799880546	AIXQKUGFRCKSFF-UHFFFAOYSA-N	312.373	1.940	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NNC(=O)CC(F)(F)F	798117966	QUHLJYKIJYGWMF-SCZZXKLOSA-N	309.288	1.250	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCN(C)C2CCCCC2)n[nH]1	791142444	ZHPYTGJYPFXDHU-UHFFFAOYSA-N	307.398	1.134	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)COC[C@@H]1CCCO1	798310837	WXNCZZCSAPXPRP-LBPRGKRZSA-N	307.350	1.343	50	20	DDGD	
O=C(NC[C@@H]1CCCN1C1CCCCC1)NNC(=O)C1CCC1	798105224	VQYSGTNSQGCDKL-HNNXBMFYSA-N	322.453	1.914	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)n1	794564315	IYFYODOTYIKJDA-UHFFFAOYSA-N	300.274	1.768	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2=CCOCC2)c2ccccc2n1	799010538	HSOPJUCTJAZGPX-UHFFFAOYSA-N	311.341	1.651	50	20	DDGD	
NS(=O)(=O)c1ccc(C(=O)NNc2ccccc2F)cc1	798334588	IMVFSCCNPVYESE-UHFFFAOYSA-N	309.322	1.230	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1coc(C(C)C)n1	799478646	ARTNNVYLFUYGKL-UHFFFAOYSA-N	318.333	1.661	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cccnc2)c(C(F)(F)F)c1	1319991810	GVNHCTBWNKGWIP-UHFFFAOYSA-N	312.251	1.514	50	20	DDGD	
CCCN1CCCC[C@@H]1C(=O)NNC(=O)c1ccc(OC)cc1	1318045405	YVLODLHKWDLTLJ-OAHLLOKOSA-N	319.405	1.721	50	20	DDGD	
O=C(NNC(=O)c1cncn1-c1ccccc1)Nc1cccnc1	1318032225	JRBFRCOOXNZOGQ-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1cc(OCC(F)F)ccn1	1319894662	OULJJMLOJRBRID-NTMALXAHSA-N	311.288	1.786	50	20	DDGD	
CCCCC[C@@H](O)C(=O)NNC(=O)COCc1ccccc1	1324470678	FSBJEXNIWLORNU-CQSZACIVSA-N	308.378	1.292	50	20	DDGD	
COc1ccc(NC(=O)CCl)cc1S(=O)(=O)NC1CC1	1323268598	DCJBIFCWRJWTLN-UHFFFAOYSA-N	318.782	1.313	50	20	DDGD	
COc1ccc(O)c(C=NNC(=O)CCN2CCC(C)CC2)c1	1248410373	AXFHKHIILGAJRK-UHFFFAOYSA-N	319.405	1.973	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cc(-c2ccco2)nn1C	1320867079	SKYLQIBWDRPTBH-UHFFFAOYSA-N	305.338	1.879	50	20	DDGD	
Cc1c(C#N)cccc1C(=O)NNc1ccc(-n2ccnc2)nn1	1328671037	ZYSRPZKJKWTMTA-UHFFFAOYSA-N	319.328	1.599	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H](C)[C@H](OC)C2CC2)cc1	1325485555	QAGAWSANBJDGIB-HZMBPMFUSA-N	321.377	1.453	50	20	DDGD	
CC1=CCN(C(=O)C(=O)NC[C@]2(C)C[C@H]2Br)CC1	1328546872	FTHNXCQZZVVKIX-MFKMUULPSA-N	315.211	1.455	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccnn2CC(C)C)cc1	1328538812	UQUZBNUGHVWNSL-UHFFFAOYSA-N	316.361	1.623	50	20	DDGD	
Cn1ccnc(NNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1=O	1322296273	IDCZGRKZKBAUPV-UHFFFAOYSA-N	323.696	1.099	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)[C@@H]1CCCCCN1	1328593897	PUIPLQFDVPSQIU-NSHDSACASA-N	302.338	1.107	50	20	DDGD	
CCn1cc(C(=O)C(=O)NNc2cnnc3ccccc23)cn1	1323069484	ZEMALDUURLAHPG-UHFFFAOYSA-N	310.317	1.172	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC12CCCC2)c1n[nH]c2c1CCCC2	1330678164	OSYAHRPUGFNQHO-NSHDSACASA-N	302.378	1.630	50	20	DDGD	
Cc1c(C(=O)NNc2ncncc2F)cnn1C1CCCC1	1330460108	VXMUNRACMPBHDX-UHFFFAOYSA-N	304.329	1.993	50	20	DDGD	
O=C(NC[C@H]1CNCCC1(F)F)NNc1ccc(Cl)nc1	1338029853	BVSZJGIPKRTFPI-MRVPVSSYSA-N	319.743	1.606	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=C1COC[C@H]1C	1330876856	OKZAWPXVEHTAAA-GHMZBOCLSA-N	309.366	1.042	50	20	DDGD	
O=C(NCc1cnn(CC2CCC2)c1)NNc1ccncn1	1341651639	DYLDTBAFVZZGBP-UHFFFAOYSA-N	301.354	1.300	50	20	DDGD	
Cc1nnc(CC(=O)NNc2cccc(C(=O)O)c2C)s1	1608014764	VAGKYFQNWDHBEX-UHFFFAOYSA-N	306.347	1.539	50	20	DDGD	
CO[C@@H](C)CCC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1609308528	OKBZZXPKQGUBKQ-QMMMGPOBSA-N	323.357	1.236	50	20	DDGD	
Cc1cc(NNC(=O)Nc2cc(C(=O)O)sc2C)nc(N)n1	1607695745	OWQHMLILPFGZOQ-UHFFFAOYSA-N	322.350	1.584	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCc2ccccc2CC(=O)O)cn1	1600945511	HDBQAPTYUMITAW-GIDUJCDVSA-N	324.340	1.271	50	20	DDGD	
Cn1ncc2c1C[C@@H](C(=O)NNc1cccc(C(=O)O)c1)CC2	1601031168	QWKHKZOCSHMBKA-JTQLQIEISA-N	314.345	1.367	50	20	DDGD	
Cc1c(NNC(=O)c2cc(CN(C)C)on2)cccc1C(=O)O	1600054295	RTYRXCAAORPWMF-UHFFFAOYSA-N	318.333	1.500	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNc2ncccc2C(=O)O)c(F)c1	1602772478	AAVKKFVCWWHPCR-UHFFFAOYSA-N	317.276	1.878	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccccn2)c(C(=O)O)c1	1600441690	MGMVCRGWTKZNGJ-UHFFFAOYSA-N	314.301	1.170	50	20	DDGD	
O=C(CCCn1ccccc1=O)NNc1ccccc1C(=O)O	1601274011	ICRBWHPMBRCLFV-UHFFFAOYSA-N	315.329	1.470	50	20	DDGD	
C[C@H](Cc1cnc[nH]1)C(=O)NNc1ccc(C(=O)O)c(F)c1	1604242614	ZBPCCDPKTLVWRJ-MRVPVSSYSA-N	306.297	1.569	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)O)CC1)c1ccc(Cl)cc1F	1605814897	ZWIBYKCLYGBLLN-UHFFFAOYSA-N	300.673	1.105	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H]1CCC[C@H]1C(=O)O	1608170100	RJZVJVVEKSFQED-RDNHTORASA-N	300.314	1.669	50	20	DDGD	
O=C(NN=Cc1coc2ccccc12)[C@@H]1CN2CCC[C@H]2CO1	1549315922	DAEGHQSSZQJSSO-BBRMVZONSA-N	313.357	1.746	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C[C@H]1CCCO[C@@H]1c1ccnn1C	1552448607	CZYCFBIWNMWJFU-RISCZKNCSA-N	316.365	1.335	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H](N)CCC(C)C)c(C)c1	1579723823	MVWVGHLKSXTXBO-CQSZACIVSA-N	320.437	1.626	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@@]2(C)CCNC2)c1C	1574165386	GOULSCNUJKIVPX-GUYCJALGSA-N	319.405	1.218	50	20	DDGD	
COc1ccc(Br)c(NNC(=O)[C@H](N)C(C)C)c1	1579185974	SOFHCNXCJUOUBU-LLVKDONJSA-N	316.199	1.884	50	20	DDGD	
CC(C)(C)[C@@H](C(=O)O)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	1588633681	JQRFYIRFKBNXIP-SECBINFHSA-N	313.285	1.924	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCNCC1)c1cc2c(s1)CCC2	1580733568	YEHROHRXVPUKKT-JTQLQIEISA-N	307.419	1.388	50	20	DDGD	
O=C(NNc1ncccc1C(F)(F)F)[C@H](F)[C@@H]1CCNC1	1580742829	GRXCIJLOSYYGHG-VXNVDRBHSA-N	306.263	1.491	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)c1cccc2c1OCCNC2	1580739669	KUNZBRFGKATLLI-UHFFFAOYSA-N	318.764	1.974	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)CCCOC)C1	1841265581	VACLCYZHHGOXEM-GFCCVEGCSA-N	316.829	1.634	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H](C)COC)C2	1845163151	IMSVTSUFUQXNFL-VXGBXAGGSA-N	316.829	1.490	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H]1CCCC[C@H]1C(=O)O)C1CC1	1593190615	SHIHNTUDRWLWJZ-INTQDDNPSA-N	313.423	1.171	50	20	DDGD	
CCOc1ccc(NNC(=O)Nc2c(C(=O)O)cnn2C)cc1	1597125934	LAAFSHFEKCPHHE-UHFFFAOYSA-N	319.321	1.666	50	20	DDGD	
COCCN(CC(C)C)NC(=O)c1ccsc1-c1nn[nH]n1	1591421886	ZTYZJMNGNDIYAC-UHFFFAOYSA-N	324.410	1.177	50	20	DDGD	
C[C@H]1SCC[C@H]1NC(=O)NNc1cccc(-c2nn[nH]n2)c1	1590334862	CACNHNWOQHSHPG-LDYMZIIASA-N	319.394	1.387	50	20	DDGD	
C[C@@]1(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)CCNC(=O)C1	1593816269	KHJBLCHPWAHUHQ-CQSZACIVSA-N	322.273	1.115	50	20	DDGD	
CCc1cc(Br)ccc1NNC(=O)CC(=O)O	1597424906	ZOBVBBOQUBSDHS-UHFFFAOYSA-N	301.140	1.929	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccn1)[C@H]1CC[C@H]1C(=O)O	1594780121	JFRBRCAYUQIVBD-JGVFFNPUSA-N	303.240	1.654	50	20	DDGD	
C[C@@H](CC(=O)O)CC(=O)NNC(=O)c1cc2ccccc2o1	1592392058	WQBSHAFQJQFGDF-SECBINFHSA-N	304.302	1.695	50	20	DDGD	
C[C@]1(CNc2cccnc2-c2nn[nH]n2)C[C@H]1Br	1590136394	UXGIXRVBEGFSNK-LDYMZIIASA-N	309.171	1.847	50	20	DDGD	
CO[C@@H]1CCC[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)C1	1591353099	GZKXNDNCTYIKOR-DGCLKSJQSA-N	316.365	1.515	50	20	DDGD	
CN1CCCC[C@H](CNC(=O)NNc2cccc(C(=O)O)c2)C1	1598598132	LIWXSVYEJLWZSW-GFCCVEGCSA-N	320.393	1.743	50	20	DDGD	
COc1cc(C(C)=NNC(=O)c2ccc(C(=O)O)cc2)ccn1	1776100589	PRBLCQPQRYPGHW-UHFFFAOYSA-N	313.313	1.942	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=Cc1ccc(C(=O)O)cc1Cl	1776102496	REBHCYQWIRBLKE-CMPLNLGQSA-N	310.737	1.913	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1	161172602	YEUMSHJPFYWFNL-UHFFFAOYSA-N	318.333	1.231	50	20	DDGD	
Cc1ccc(C(=O)NNC(=S)NCCc2cccs2)nc1	160041830	SYNDVHQSACHGLH-UHFFFAOYSA-N	320.443	1.803	50	20	DDGD	
COC1CCC(CC(=O)NNC(=O)NCc2ccco2)CC1	160387096	CELUAUSEKXRLRQ-UHFFFAOYSA-N	309.366	1.705	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1[nH]nc2c1CCCC2	153145457	CEOPGRLLHMVPMD-UHFFFAOYSA-N	302.294	1.349	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CC(C)(C)C)cnn1C1CCOCC1	153520306	LDKUPSGUTDESGF-UHFFFAOYSA-N	322.409	1.740	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CCC(=O)NNc1ccncc1Cl	154645024	AKBFGNOPNFQTCO-UHFFFAOYSA-N	324.728	1.682	50	20	DDGD	
CC(C)(C)CCC(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12	154783482	GXAZYVNYUUCZTQ-UHFFFAOYSA-N	316.361	1.510	50	20	DDGD	
CCN(CC)CC1CCN(S(=O)(=O)CCCCl)CC1	37842910	SNWYEVUZLAKTCY-UHFFFAOYSA-N	310.891	1.999	50	20	DDGD	
O=C(Cc1coc(-c2cccs2)n1)NNc1ncccn1	106012853	BMPLFZMFDBAVDJ-UHFFFAOYSA-N	301.331	1.879	50	20	DDGD	
Cc1ccc(-n2nnc(C(=O)NNc3cnccn3)c2C)cc1	114881613	XLKJSEZLHRICBO-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
COC(=O)NCCC(=O)NNc1cccc(C(F)(F)F)c1	107761558	BFCBGTAWJOBCAU-UHFFFAOYSA-N	305.256	1.895	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)NC2(C#N)CC2)c1C	179101840	GWSOBJHFRSDGTK-OQLLNIDSSA-N	312.373	1.831	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(C(=O)c2ccco2)CC1	178955633	SCTMPTJCMJDFMR-VAWYXSNFSA-N	303.318	1.008	50	20	DDGD	
CSc1cc(C(=O)NNC(=O)c2ccc(C#N)cc2)ccn1	129086877	MGKBGLKVUVTAJY-UHFFFAOYSA-N	312.354	1.750	50	20	DDGD	
Cc1cccc(S(=O)(=O)NNC(=O)c2ccccc2)c1F	180465349	QMJRQKLXRBAMCF-UHFFFAOYSA-N	308.334	1.757	50	20	DDGD	
Cc1[nH]c2c(C(=O)NNC(=O)c3cnn(C)c3)cccc2c1C	117820802	PFDCOSAODPDVLF-UHFFFAOYSA-N	311.345	1.593	50	20	DDGD	
CCN(CCNC(=O)NNC(=O)Cc1ccccc1F)C1CC1	66926495	IFMHMYFUSZSTLA-UHFFFAOYSA-N	322.384	1.183	50	20	DDGD	
CCCNC(=O)NNC(=S)Nc1ccc(C(=O)OCC)cc1	66012316	DIDQGRUUIXITTQ-UHFFFAOYSA-N	324.406	1.774	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(C)nc2onc(C)c12	64426751	KRCIMKCPYDOZND-UHFFFAOYSA-N	305.338	1.584	50	20	DDGD	
CC(=O)NNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1	23198592	YOUOUSJOSXXQAJ-BQYQJAHWSA-N	315.373	1.106	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NC[C@H](c1ccco1)N1CCCC1	28805274	KKJFUBWDISVTFC-YPDDLIOESA-N	303.362	1.977	50	20	DDGD	
O=C(NNc1cccc(F)c1)C(=O)Nc1cnc(C2CC2)nc1	120889565	NUQHLNPAQIRJQI-UHFFFAOYSA-N	315.308	1.575	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)NC2CC2)cc1OC	64428450	HTPKAVCQNFFEJN-XBXARRHUSA-N	305.334	1.210	50	20	DDGD	
Cc1c(C(=O)NNC(=S)N[C@@H](C)C2CC2)cccc1[N+](=O)[O-]	175553794	ZFEFBVAWULTCRC-VIFPVBQESA-N	322.390	1.811	50	20	DDGD	
CSC[C@H](C)NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	172389246	LVKHQOCKEKUCOL-QWGQVVDNSA-N	302.403	1.980	50	20	DDGD	
CCC[C@@H](C)N1C[C@H](C(=O)NNC(=O)c2ccccc2)CC1=O	125988988	NNSZCIQORWIEGL-TZMCWYRMSA-N	317.389	1.485	50	20	DDGD	
Cc1ccc(CN2C[C@H](C(=O)NNc3ccncc3)CC2=O)cc1	180534865	DRGSSSZIWIZSKE-OAHLLOKOSA-N	324.384	1.882	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1ccc2nccnc2c1	185210637	AUQNCCGVPHQZGM-UHFFFAOYSA-N	307.313	1.712	50	20	DDGD	
O=C(NNC(=O)C1(c2ccccc2F)CCCC1)[C@@H]1CCCO1	75920924	RPFIKJUFOLIWDK-AWEZNQCLSA-N	320.364	1.964	50	20	DDGD	
O=C(NNC(=O)c1cnc(S)[nH]1)c1ccc2ccccc2n1	186805556	UJXMMCMXXDRZBM-UHFFFAOYSA-N	313.342	1.321	50	20	DDGD	
C[C@H](Oc1ccc(C(=O)NNC(=O)CO)cc1)c1ccccc1	188433676	ZWPJUYXFFPGQRM-LBPRGKRZSA-N	314.341	1.580	50	20	DDGD	
O=C(NCCCc1ccccc1)C(=O)NNc1ccnc(F)c1	182467120	PSMCIZDMTQYSAJ-UHFFFAOYSA-N	316.336	1.413	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccn(CCC(C)C)n1	124687032	CNNGSIXEAXOQOL-NSHDSACASA-N	323.397	1.061	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccncc2Cl)cc1	73057312	MSBPGWUSPKKWTR-UHFFFAOYSA-N	300.705	1.681	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1cc(OC)c(O)c([N+](=O)[O-])c1	35582294	FYTMFRWYGCYYFP-BJMVGYQFSA-N	322.273	1.406	50	20	DDGD	
CCc1nc(NC(=O)NNC(=O)c2ccncc2)sc1C	186270459	YFZPCAUAAPJQBH-UHFFFAOYSA-N	305.363	1.875	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1c[nH]c(=O)c2ccccc12	188461265	KDSGYVGUXAZBOR-UHFFFAOYSA-N	303.318	1.698	50	20	DDGD	
O=C(NNC(=O)c1ccc2[nH]cnc2c1)c1ccc(Cl)nc1	77248604	RANAOKGCNUXAHB-UHFFFAOYSA-N	315.720	1.686	50	20	DDGD	
CC1(Cn2cc(C(=O)NNc3ccc(F)cc3F)nn2)COC1	184017538	BEQIEILRWXVRSQ-UHFFFAOYSA-N	323.303	1.350	50	20	DDGD	
CC[C@@H](CCO)NS(=O)(=O)c1ccc(CCCl)cc1	158871970	JQBOJTWWPNTSSS-LBPRGKRZSA-N	305.827	1.907	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@H]1CCN(CC2CC2)C1	76943294	NXUHIAQOZTXYNB-AWEZNQCLSA-N	302.378	1.115	50	20	DDGD	
Cn1ccc(C(=O)NNc2nc(-c3ccccc3)no2)cc1=O	76462943	UDHZMRQSTWMJOD-UHFFFAOYSA-N	311.301	1.192	50	20	DDGD	
CC(=O)NNC(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1	181974116	UADJAMNEILPYHY-NRFANRHFSA-N	311.407	1.906	50	20	DDGD	
CCOCCCNC(=O)NNC(=O)COc1cc(C)ccc1C	43024239	QPNFIDOCJBHQDC-UHFFFAOYSA-N	323.393	1.439	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccccc1)CC1CCCCC1	44714879	NTLYJPYCDZZFPF-UHFFFAOYSA-N	303.406	1.960	50	20	DDGD	
COC(=O)CCCC(=O)NNC(=O)Cc1ccc(Cl)cc1	130881259	OWBBZJGCSVZNRQ-UHFFFAOYSA-N	312.753	1.373	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cccc(Cl)c2C)n1	192822483	HVMVNDJXWSIAJE-UHFFFAOYSA-N	320.780	1.923	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cc[nH]n2)c1C	48017124	UHLCKEREBZTPNO-NSHDSACASA-N	302.334	1.255	50	20	DDGD	
CC[C@@](NC(=O)/C(C#N)=C\c1ccc(O)cc1)(C(N)=O)C(C)C	194850355	NNVIBGDZPBPFAW-GQPJMJRUSA-N	315.373	1.705	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C/c2csc([N+](=O)[O-])c2)n1	134510919	SXFMPEHLXAPQCG-RUDMXATFSA-N	303.303	1.935	50	20	DDGD	
COc1ccc(F)cc1C(=O)NNC(=S)N[C@H](C)C1CC1	83677248	YFZHFXGEYVNAPL-MRVPVSSYSA-N	311.382	1.742	50	20	DDGD	
Cc1cccc(-n2cc(C(=O)NNC(=O)c3ccccc3)nn2)c1	132832325	UMIYFVFMEVWSQD-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
C[C@@H](Oc1cccc(F)c1)C(=O)NNC(=O)c1ccncc1	193128254	LMIPVYUCZBSGKQ-SNVBAGLBSA-N	303.293	1.449	50	20	DDGD	
CCOCCNC(=O)NNC(=O)Cc1ccc2ccccc2c1	45641779	LARJYBQSIAGSLA-UHFFFAOYSA-N	315.373	1.749	50	20	DDGD	
O=C(NNc1ncc(Cl)cc1Cl)C1(O)CCOCC1	132663786	FPXNUMIJJWRACG-UHFFFAOYSA-N	306.149	1.373	50	20	DDGD	
O=C(Cc1ccc(F)c(F)c1)NNc1ncnc2[nH]cnc12	88381870	VSBPXIRPKAZGSU-UHFFFAOYSA-N	304.260	1.317	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](CCN(C)C)C(C)(C)C)o1	84159308	CWJWBPAIKJOVPK-ZDUSSCGKSA-N	324.425	1.898	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cccc(-c2ccoc2)c1	89743699	RCPIJRQERMKFFE-AWEZNQCLSA-N	300.314	1.887	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1ccc(C)s1	148966206	IQHPGSMJWQGDHX-LLVKDONJSA-N	323.418	1.609	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(C(C)C)nn1C	91821638	QJPPVUIHDYLFSY-UHFFFAOYSA-N	315.468	1.015	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1ccccc1CN1CCOCC1	255296981	LRRRMDRCUNUHCW-QINSGFPZSA-N	315.373	1.901	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1c(C)nc2sc(C)cn12	255161077	RTFGPWFFNFKNJK-WDZFZDKYSA-N	304.375	1.682	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)C1CCC1	264829638	YVMDQNVJEJMOGS-MRXNPFEDSA-N	315.417	1.846	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)C2(C#N)CCC2)c1C	265445288	MDGASGLOSHUBCN-CYBMUJFWSA-N	315.373	1.912	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(Cl)nn1	265477244	KJMKZGLMZXKGPK-ZETCQYMHSA-N	315.761	1.486	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NN2CCCCC2=O)cc(C#N)n1C	263838219	UWUXSWMTBLVYKS-NTUHNPAUSA-N	311.345	1.156	50	20	DDGD	
CC(C)N(C)S(=O)(=O)NNC(=O)c1ccc(Cl)cc1F	267097839	WCAFOEPEIDFNOZ-UHFFFAOYSA-N	323.777	1.299	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H](C)OC[C@H]2CCCO2)n1	267160304	KDUFKBGJDCAHCI-WCBMZHEXSA-N	314.773	1.466	50	20	DDGD	
COC(=O)[C@H]1CCCCCN1S(=O)(=O)CBr	363717047	ZTPGXDFTJYBIOG-MRVPVSSYSA-N	314.201	1.086	50	20	DDGD	
O=C(NCCCc1nc2ccccc2[nH]1)NNC(=O)C1CCC1	264699974	GQUQMKXCDUJMMM-UHFFFAOYSA-N	315.377	1.626	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)[C@H]1CCOC1	266593179	RBAVLICBWAQPGE-JQWIXIFHSA-N	309.341	1.124	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CC23CCOCC3)cc1	363314425	MFRITYPHMYQJPY-CQSZACIVSA-N	318.373	1.338	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccn(CCc2ccncc2)n1	274113827	LYXUJAQIILFJJH-UHFFFAOYSA-N	314.349	1.084	50	20	DDGD	
CCC(C)(C)N[C@H](C)C(=O)NNC(=O)c1ccccc1OC	274726977	FZRZQRKAQQMCEW-LLVKDONJSA-N	307.394	1.623	50	20	DDGD	
O=C(NNS(=O)(=O)c1c(Cl)ccnc1Cl)C1CCC1	272103292	MJVGIQWMRIUSEP-UHFFFAOYSA-N	324.189	1.498	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)[C@@H]1CCCCS1	272962634	LXMNVQAPRMCUHY-LBPRGKRZSA-N	312.366	1.638	50	20	DDGD	
COc1cccc2c1CCN(S(=O)(=O)CBr)C2	273051148	YNHXCGWTHDINNG-UHFFFAOYSA-N	320.208	1.736	50	20	DDGD	
CCC(C)(C)N[C@H](C)C(=O)NNC(=O)c1cccc(N(C)C)c1	273305604	VMSXZYPEMLZMAR-GFCCVEGCSA-N	320.437	1.680	50	20	DDGD	
NC(=O)c1cc(NC(=O)NNC(=O)CC2CC2)ccc1Cl	273344985	ROMZCEPABFXASK-UHFFFAOYSA-N	310.741	1.392	50	20	DDGD	
CCCOc1ccccc1NC(=O)C(=O)NNC(=O)C(C)(C)C	273689938	KEGMEIFRAKVDNU-UHFFFAOYSA-N	321.377	1.607	50	20	DDGD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC=C(C#N)CC1	272563443	CFUCCZDEXWBOHU-UHFFFAOYSA-N	312.417	1.867	50	20	DDGD	
C[C@H](C(=O)NNc1cc(Cl)ccn1)n1nnnc1C(C)(C)C	272480125	NAOVUMNAEKVNIC-MRVPVSSYSA-N	323.788	1.723	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1nc(C(C)(C)C)ns1	276069482	SCMPGGYZQYHHSO-UHFFFAOYSA-N	300.388	1.533	50	20	DDGD	
C[C@@H](O)c1cn(CC(=O)NNc2ccc(C(C)(C)C)cc2)nn1	273014449	QPARGOUZXCOPQU-LLVKDONJSA-N	317.393	1.772	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H]1CCCN(C(=O)N2CCCC2)C1	285138891	OBBIMPYROYVQIR-YPDDLIOESA-N	320.393	1.227	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)c(C)c1	282213402	RUUNGSVDPWKINJ-DVOMOZLQSA-N	319.405	1.676	50	20	DDGD	
C[C@@H]1COCC[C@@H]1CNC(=O)NNc1ncnc2ccsc12	287050527	UHTGTHUNXDGNGJ-NXEZZACHSA-N	321.406	1.990	50	20	DDGD	
C=CCN(CC=C)CC(=O)NNC(=O)Cc1ccccc1C	297753536	DWNAVGZWHHSOTC-UHFFFAOYSA-N	301.390	1.359	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2[nH]ccc2C)cc1	801109303	YTSYVVRHVQBKLZ-UHFFFAOYSA-N	300.318	1.031	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@H](CC)N(C)C)cc1C	291097152	DJXPBVLQTYCNMU-AWEZNQCLSA-N	307.394	1.955	50	20	DDGD	
C=CCCCCCCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	807572702	PWIVUPBUVAOGEQ-AWEZNQCLSA-N	317.455	1.504	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CC1CCCC1)N(C)CC(F)(F)F	806723977	IOAGJJBIFTXLOW-VIFPVBQESA-N	309.332	1.597	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](F)c1ccccc1	807371365	HJDJDDOXWMCWHD-LBPRGKRZSA-N	312.341	1.634	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)[C@@H]1CCN(CC(F)(F)F)C1	297079169	XKVVCXFRHMTKTL-SSDOTTSWSA-N	324.253	1.687	50	20	DDGD	
CC1(C)[C@H](NC(=O)NNc2ncc(F)cc2F)[C@H]2CCO[C@H]21	297142659	HQHSAGKLSPUBQT-FBIMIBRVSA-N	312.320	1.799	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802121478	FBDNWGWBJHAHIB-UHFFFAOYSA-N	315.377	1.866	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNC(=O)CCc1ccccc1	805171539	FCKHZJXGJRTZTH-UHFFFAOYSA-N	320.389	1.746	50	20	DDGD	
NC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)Nc2ccccc2)C1	801989557	CTPANZRBQSYVAB-QWRGUYRKSA-N	304.350	1.131	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)C(C)(C)S(=O)(=O)C1CC1	819850088	RDSLCQMYLRBYAB-UHFFFAOYSA-N	302.223	1.604	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CNC(=O)Cc1ccccc1	816628151	JOQMBHAXCMVITM-UHFFFAOYSA-N	303.189	1.607	50	20	DDGD	
Cc1cc(Cl)cnc1NC(=O)C(=O)NNc1cccc(F)n1	812994187	DSOGSXHXFGBSSO-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
Cn1c(NNC(=O)c2cccc(CO)c2)nc2ccccc2c1=O	813452724	QGESVSPOXDLGQK-UHFFFAOYSA-N	324.340	1.183	50	20	DDGD	
COc1ncc(C=NNC(=O)Cc2ccccc2OC)s1	812226225	AKLYXWODXWSSFX-UHFFFAOYSA-N	305.359	1.853	50	20	DDGD	
CON(CC(=O)NNC(=O)C(C)(C)C)C[C@H]1CCC[C@H](C)C1	810137867	YCWLBIIILAKHBI-STQMWFEESA-N	313.442	1.870	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=C2CCS(=O)(=O)CC2)c1	814733810	XOLRTXLTJJXUNI-UHFFFAOYSA-N	309.391	1.047	50	20	DDGD	
COc1cnc(C(=O)NNc2ccc(C(F)(F)F)nn2)nc1	815871973	AJILOSXYXMFBFT-UHFFFAOYSA-N	314.227	1.051	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](CO)CN(C)C)cc1	819825776	XDSZGXNDVFXDGH-AAWPKVBNSA-N	317.389	1.031	50	20	DDGD	
COC(=O)c1cc(C(=O)OC[C@@H](C)CBr)c[nH]1	814532049	MAGNJVVBWSCYTD-ZETCQYMHSA-N	304.140	1.989	50	20	DDGD	
CN1CC[C@H](C(=O)NNC(=O)c2cc(-c3ccccc3)on2)C1	729654758	VWTDERBGCSVUIY-LBPRGKRZSA-N	314.345	1.054	50	20	DDGD	
C[C@H](Oc1cccc(Br)c1)C(=O)NN=C1COC1	814751403	LGPIXMJRYGOPSI-QMMMGPOBSA-N	313.151	1.719	50	20	DDGD	
CC(C)(O)CN1CCC(=NNC(=O)c2ccccc2F)CC1	814212889	NUHOPVRQCXSAPA-UHFFFAOYSA-N	307.369	1.778	50	20	DDGD	
CC1(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCOCC1	726750303	QTRKVRFYFSAEDU-UHFFFAOYSA-N	307.306	1.173	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNc1nnc(-c2ccccn2)s1	812556607	RBQHEDJUYHNIEG-NXEZZACHSA-N	321.406	1.962	50	20	DDGD	
CCOC(=O)C(C)(C)n1cc(NC(=O)NN(C)C2CC2)cn1	824240969	QOUMRDKIKBGQHL-UHFFFAOYSA-N	309.370	1.312	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2cc(-c3nn[nH]n3)cs2)c(C)o1	822177295	XDDYTCIRQZRWLC-UHFFFAOYSA-N	316.346	1.902	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@@H]1CCC[C@@H]1C1CC1	826963201	MLKJASBAXGJETF-DOERSZECSA-N	309.410	1.568	50	20	DDGD	
C[C@@H](CC(=O)O)C(=O)NNC(=O)c1ccc(Cl)cc1F	827304337	RWPWSBSGPMQPAN-LURJTMIESA-N	302.689	1.351	50	20	DDGD	
CCCNC(=O)NN=C[C@@H](CCOC)NC(=O)OC(C)(C)C	495987091	FFMCFRCSSIOXNL-LLVKDONJSA-N	316.402	1.611	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1ccc(Cl)c(-c2nn[nH]n2)c1	826450157	ZFRISOGLTRMYJG-UHFFFAOYSA-N	315.724	1.094	50	20	DDGD	
C=CCNC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1ccc(OC)cc1	728881796	QAHRRWMTQFGCFX-XTCQQWIJSA-N	314.341	1.836	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)/C=C\c1ccccc1	492396953	JILBJKJTHCKUJI-KTKRTIGZSA-N	319.361	1.372	50	20	DDGD	
Cc1cccc2c1CCN(C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)C2	827301427	WQFYNVXQCWDFPX-DOMZBBRYSA-N	317.389	1.519	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(-c2nnc(S)o2)cc1	496099459	COGKOTAIJOTYTR-UHFFFAOYSA-N	308.319	1.368	50	20	DDGD	
Cc1ccc(CCCNC(=O)c2ccc(B(O)O)cc2)c(C)c1	584926034	XJRMNZPBRRQELV-UHFFFAOYSA-N	311.190	1.346	50	20	DDGD	
COCc1ccc(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	825632780	FWIDMLROROMCKX-RISCZKNCSA-N	321.377	1.088	50	20	DDGD	
O=S(=O)(CCl)NC[C@H]1CCN(c2ccc(F)cc2)C1	820787811	KWVWRJBRFNTSNJ-SNVBAGLBSA-N	306.790	1.768	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)Cc2cccc(F)c2)nc(N)n1	828367839	XHDIRVYXERLWDM-VIFPVBQESA-N	303.341	1.828	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@](C)(O)C2CCCCC2)cn1	491013065	SUYJMBXMLXILTL-QHIITQONSA-N	316.405	1.775	50	20	DDGD	
C[C@@H]1SCC[C@@H]1NC(=O)NNc1ccc(-n2ccnc2)nn1	827650112	NNKQZNDLDYZHHG-UWVGGRQHSA-N	319.394	1.182	50	20	DDGD	
C[C@H](CC(=O)O)C(=O)NNC(=O)c1cc(-c2ccccc2)on1	827304089	ORMWYKVUDDSCLN-SECBINFHSA-N	317.301	1.213	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1cccc(O)c1	827004776	OAZHRZPRXURMID-OPQQBVKSSA-N	307.350	1.209	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCC(C)(C)c1ccccc1	825627959	SIEITWFBEIKFIX-OCCSQVGLSA-N	319.405	1.720	50	20	DDGD	
COC(=O)NNC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2	490555399	APPVBOPDOVTZOH-UHFFFAOYSA-N	323.393	1.096	50	20	DDGD	
CC1(C)CC(=NNC(=O)[C@@H]2CCS(=O)(=O)C2)c2ccoc2C1	731486664	SNVKACHZUDTVFB-SNVBAGLBSA-N	324.402	1.507	50	20	DDGD	
C#CCSCC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	908053221	MVKADLNLPFDHKB-UHFFFAOYSA-N	306.391	1.272	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)cc1	905160952	FLVRFKKOUSTGIG-BYCMXARLSA-N	318.398	1.460	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCc3c(Cl)cccc32)cc1	585019640	DEYAOICQKSTTKU-MRXNPFEDSA-N	301.582	1.797	50	20	DDGD	
O=C(NNc1cccc(Br)n1)[C@H]1CCCCO1	837211744	JMKJQPJLZSZLNC-MRVPVSSYSA-N	300.156	1.856	50	20	DDGD	
CC1(C)[C@@H](c2ccccc2)CCN1C(=O)c1cccc(B(O)O)c1	585001660	XMXNSJAGJXLUBE-QGZVFWFLSA-N	323.201	1.775	50	20	DDGD	
CC[C@H](C)N(C(=O)COc1ccc(B(O)O)cc1)[C@@H](C)CC	584910273	YJCVWNDDUHZHAX-STQMWFEESA-N	307.199	1.171	50	20	DDGD	
O=C(COc1ccc(C(F)(F)F)cc1)N1CC[C@@H](B(O)O)C1	585068951	JHPAIJLKGDTGDE-SNVBAGLBSA-N	317.072	1.160	50	20	DDGD	
C[C@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)CC12CCC2	584969034	AEFJGCYYTOXYGH-NSHDSACASA-N	305.158	1.158	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2C[C@H](c3ccc(F)c(Cl)c3)C2)o1	585040896	REPUXVFEBFKRGD-XYPYZODXSA-N	323.560	1.788	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2(N(C)C)CCC2)c1F	837060113	IQKZEPBYFFCOQW-UHFFFAOYSA-N	309.341	1.540	50	20	DDGD	
CC(C)c1ccc2c(c1)CN(C(=O)c1cccc(B(O)O)c1)CC2	585006372	LFNBQLPUNLJTCQ-UHFFFAOYSA-N	323.201	1.688	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)cc1F	909359069	FXSHKJMNZRDFLE-JIMOISOXSA-N	306.293	1.281	50	20	DDGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCO[C@H](CC(=O)O)C1	833061677	FIMBSVZRPJDCBO-NYZLRFNGSA-N	317.301	1.635	50	20	DDGD	
O=C(c1cccc(OC(F)(F)F)c1)N1CC[C@@H](B(O)O)C1	585067003	UAXBSVUEDJEOGB-SECBINFHSA-N	303.045	1.274	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1CC(=O)N(c2ccc(C)c(F)c2)C1	837622532	UPCUJIWJVFMWQN-LBPRGKRZSA-N	323.368	1.096	50	20	DDGD	
Cc1cc(NNC(=O)CCCn2ccccc2=O)nc(C)n1	736716285	APHOINUSEULNEZ-UHFFFAOYSA-N	301.350	1.179	50	20	DDGD	
Cn1cc(C(=O)NN=C2CCN(Cc3ccccn3)CC2)cn1	735413215	IAUHVNFNJCULNN-UHFFFAOYSA-N	312.377	1.197	50	20	DDGD	
Cc1ncsc1C(=O)NN[C@H](C(=O)O)c1ccc(F)cc1	738892664	MRTOWRXSAHSEQQ-JTQLQIEISA-N	309.322	1.651	50	20	DDGD	
C[C@H](Sc1ccccn1)C(=O)NNc1ccc(C(=O)O)cn1	833545229	OUAHMYFZQJDAMZ-VIFPVBQESA-N	318.358	1.799	50	20	DDGD	
CO[C@H](C1CC1)[C@H](C)NC(=O)NNC(=O)Cc1ccccc1F	836642037	PRTLULAPKDUNGR-BONVTDFDSA-N	323.368	1.512	50	20	DDGD	
Cc1ccc(CNCc2ccccc2B(O)O)c(OC(C)C)c1	585028248	IAWLUZCCUVCONK-UHFFFAOYSA-N	313.206	1.752	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N(C)CCC(=O)O)cc(C#N)n1C	738192557	YNMVSQFBHCFNPA-WUXMJOGZSA-N	300.318	1.045	50	20	DDGD	
C=COc1ccc(NC(=O)NNC(=O)[C@@H](C)OCCOC)cc1	839151768	BIDXGVHQZCDSNB-LLVKDONJSA-N	323.349	1.413	50	20	DDGD	
C[C@@H]1CC=C(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)CC1	836789147	HPNLSKNLFGJUBA-YPMHNXCESA-N	300.424	1.225	50	20	DDGD	
CC(=NNC(=O)c1c[nH]nc1C)c1ccc(S(C)(=O)=O)cc1	735411578	JVVGNCUUZFFXQT-UHFFFAOYSA-N	320.374	1.276	50	20	DDGD	
Cn1cc(CCC=NNC(=O)COc2ccc(F)cc2)cn1	834930245	QTEBZDIHEQIGTH-UHFFFAOYSA-N	304.325	1.673	50	20	DDGD	
C[C@H]1CCCN(C[C@H](C)NC(=O)NNC(=O)C2CCCC2)C1	919915407	UFUPTAKKPJNLCN-STQMWFEESA-N	310.442	1.627	50	20	DDGD	
COc1ccnc(NNC(=O)NCC[C@H]2C[C@H]3CC[C@H]2C3)n1	916647753	DHGSJRPAACWQDR-SRVKXCTJSA-N	305.382	1.938	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@H](C)c1cccc(Br)c1	910148814	YCTIPPRYARXSEL-NXEZZACHSA-N	315.211	1.896	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNC(=O)Nc1ccccn1	916737589	KCQXSGPOVIYRKJ-UHFFFAOYSA-N	311.301	1.185	50	20	DDGD	
NC[C@H](O)CC(=O)NNc1c(Cl)cc(Cl)cc1Cl	911916930	LICIYRIAHRXLKF-ZCFIWIBFSA-N	312.584	1.800	50	20	DDGD	
Cn1cc(C(=O)NN=C2CCCC[C@@H]2N2CCCCC2)cn1	748789094	YCVGCAKGHNLLGO-HNNXBMFYSA-N	303.410	1.934	50	20	DDGD	
COc1c(C(=O)NNc2cccc([N+](=O)[O-])c2)c(C)nn1C	748002201	PBWXQMDLSOTUHP-UHFFFAOYSA-N	305.294	1.402	50	20	DDGD	
CN(C)C(=O)CCCC(=O)NNC(=O)C(C)(C)c1ccccc1	746240026	RSVGRMSXBSNYTB-UHFFFAOYSA-N	319.405	1.370	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)Cc1ccncc1)CC(C)C	841593144	YGEZIQXYZWQWCC-ZDUSSCGKSA-N	308.382	1.016	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H](C)Cc2ccc(C#N)cc2)nc1O	848367630	KKTIODHVZWYVCC-SECBINFHSA-N	312.333	1.079	50	20	DDGD	
O=C(Cc1cnn2ccccc12)NNC(=O)NC1CCCC1	843778336	VOTUMCAOAQOXPU-UHFFFAOYSA-N	301.350	1.150	50	20	DDGD	
COc1cccc(NCC(=O)NN=Cc2ccc(O)c(O)c2)c1	916363928	XKABUJCFKKBTAO-UHFFFAOYSA-N	315.329	1.669	50	20	DDGD	
O=C(CNC(=O)c1ccc(O)cc1)NNc1ccc(F)cc1	749189552	WYGGPLJYONPVCU-UHFFFAOYSA-N	303.293	1.404	50	20	DDGD	
Cc1nc(-c2ccccc2)[nH]c1C(=O)NNC(=O)c1ccccn1	916093301	NGADMGLARKTTSQ-UHFFFAOYSA-N	321.340	1.855	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCCC[C@H]1CCCN1	842001592	ASWFDYCJKLMTRS-OAHLLOKOSA-N	318.421	1.482	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ncsc1Nc1cccnc1	910145154	QNWGOJYEGGNZNJ-SECBINFHSA-N	307.379	1.239	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1ccc(N2CCOCC2)s1	842556882	OIOQMRDVTKEUCQ-WCQYABFASA-N	323.418	1.460	50	20	DDGD	
CC(C)C[C@H](C(=O)NNC(=O)N1CCOCC1)c1ccccc1	740820004	NGIFQGFQRMUMPA-HNNXBMFYSA-N	319.405	1.889	50	20	DDGD	
O=C1CCN(CC(=O)NNC(=O)c2cccs2)C2(CCC2)C1	846995964	HYHPLOBQLKLKPR-UHFFFAOYSA-N	321.402	1.097	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2ccc(C#N)cc2)[C@@H](C)[C@@H]1C	841583230	UWOGMYPOPJAEBO-UTUOFQBUSA-N	300.362	1.889	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)c1ccccc1F)c1ccco1	746770182	KKVOQVCYUODVEG-LBPRGKRZSA-N	321.308	1.750	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)C1(Cc2cccc(F)c2)CCOCC1	910143815	CPHUYWCIWFLUID-ZDUSSCGKSA-N	324.396	1.509	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NNc1nnc(C)c(O)n1	749186463	NGZRPEMGMOIASD-IUCAKERBSA-N	305.363	1.502	50	20	DDGD	
CCN1CCC(=NNC(=O)c2ccnc(N(C)C)c2)[C@H](C)C1	741465010	XLRDESZSHYKKBF-GFCCVEGCSA-N	303.410	1.595	50	20	DDGD	
C[C@H](Oc1cccc(C=NNC(=O)[C@H]2CCO[C@@H]2C)c1)C(=O)O	842553189	FKVZFNFNEDPLRH-SUNKGSAMSA-N	320.345	1.414	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=C1CCS(=O)(=O)c2ccccc21	842560373	XFSTXHQSXSJZLB-WDEREUQCSA-N	322.386	1.109	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1cccc(O)c1O	916296608	YEDBOLPQIFKLNW-UHFFFAOYSA-N	316.313	1.636	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cccc(Cn2ccnc2)c1	918210882	XWLZXBXJMWJCJV-UHFFFAOYSA-N	323.356	1.345	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H](CN)C1CCCC1	841989470	YDUCRKKFWCLLJH-ZDUSSCGKSA-N	320.393	1.157	50	20	DDGD	
NCCC[C@H](NC(=O)NNc1cccnn1)c1ccccc1	841995395	HMVYEXSDOZMTAK-ZDUSSCGKSA-N	300.366	1.583	50	20	DDGD	
NCC[C@H](NC(=O)NNc1cccc(Cl)n1)C(F)(F)F	841335820	VKOXBDFTNAKKMU-LURJTMIESA-N	311.695	1.641	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)nn1	847443804	DWRQXKURTDAXRA-STQMWFEESA-N	304.398	1.428	50	20	DDGD	
CCSCC[C@H](C)NC(=O)NNC(=O)CC(F)(F)F	745923489	SMIXBVKUFMAUGL-ZETCQYMHSA-N	301.334	1.801	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C(CO)c2ccc(F)cc2F)n1	749604967	DZDBNJOJEKTPJY-UHFFFAOYSA-N	322.315	1.291	50	20	DDGD	
CC[C@H](C)C(=O)NN=Cc1cc2c(cc1[N+](=O)[O-])OCCO2	920374570	GUAAACUYUNZSMQ-VIFPVBQESA-N	307.306	1.862	50	20	DDGD	
C[C@@]1(CNC(=O)CN2CCSC2=O)C[C@@H]1Br	857403030	HTCXKRFVNMFFNU-XVKPBYJWSA-N	307.213	1.445	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1	854926034	QCELELICTFFUAT-CQSZACIVSA-N	320.462	1.366	50	20	DDGD	
CC[C@H](Cc1ccc(F)cc1)NC(=O)NNC(=O)c1cn[nH]c1	858600714	TUFFRXJDTXFXER-CYBMUJFWSA-N	319.340	1.514	50	20	DDGD	
COC(=O)[C@@H]1[C@H]2CN(C[C@H](CBr)C3CC3)C[C@H]21	859313509	XIYNDYYUXGCTDV-NNYUYHANSA-N	302.212	1.758	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccn(COC)n2)cc1	854213767	BSFRBFOYYOCLAH-UHFFFAOYSA-N	302.334	1.124	50	20	DDGD	
CC(C)(C)[C@H]1CCN(C(=O)NNC(=O)c2cccc(F)n2)C1	852709285	QRINGHYFPWDUEM-JTQLQIEISA-N	308.357	1.943	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1F)c1cnn(C)c1	750082507	ZPWQVCQGCBREIY-QMMMGPOBSA-N	324.743	1.777	50	20	DDGD	
COc1ccc(OC)c(NC(=O)NNC(=O)c2cc(C)[nH]n2)c1	755389751	QCMDUEXYCXEIIZ-UHFFFAOYSA-N	319.321	1.202	50	20	DDGD	
CC(C)(C(=O)NNc1cc(Cl)nc(N)n1)c1cccnc1	753449410	GEMQRTHHNYMFMO-UHFFFAOYSA-N	306.757	1.528	50	20	DDGD	
CC[C@H](C)N(CC)CC(=O)NNC(=O)c1cccc(C#N)c1	852291610	XTLTWYUQHWWDRP-LBPRGKRZSA-N	302.378	1.440	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)C[C@H]1CCCCO1	755798069	IMSMDIBDOZYVDJ-LLVKDONJSA-N	312.391	1.492	50	20	DDGD	
COC1(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)CCCC1	753514414	PNRCRYQNUZJRRE-NSHDSACASA-N	314.382	1.071	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1	856506538	OVLPZABMUCNCMS-TYZQSYOASA-N	323.393	1.946	50	20	DDGD	
O=C(NNS(=O)(=O)c1cc2ccccc2o1)c1ccccn1	753978953	ZCJRTTVRZMDSIV-UHFFFAOYSA-N	317.326	1.451	50	20	DDGD	
O=C(Cc1ccc2c(c1)COC2)NNC(=O)c1ccccc1O	757716303	QWZMGQUMCCHKTG-UHFFFAOYSA-N	312.325	1.426	50	20	DDGD	
O=C(CCC[C@@H](O)c1ccccc1)NNC(=O)c1ncccn1	854953591	WEDPYAWRZKWLIT-CYBMUJFWSA-N	314.345	1.142	50	20	DDGD	
C=CCC(C)(C)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855834363	RYTWPICZTJLEHI-UHFFFAOYSA-N	311.426	1.679	50	20	DDGD	
C[C@H](C(=O)NNc1ncc(Cl)cn1)N1CCSCC1	857357187	JXEXCCZJFQAWQY-MRVPVSSYSA-N	301.803	1.010	50	20	DDGD	
CNC(=S)N(C)NC(=O)Cc1cccc(C(F)(F)F)c1	854929468	IYGQHFJTZGIQJK-UHFFFAOYSA-N	305.325	1.715	50	20	DDGD	
CC(C)[C@H]1CCCN(C(=O)NNC(=O)c2cccc(F)n2)C1	852709923	HNBVTTXSKXKUPA-NSHDSACASA-N	308.357	1.943	50	20	DDGD	
Cn1ncc(C(=O)NNC(=S)NCC2CCC2)c1C1CC1	855091343	MPKARFFHIUBGNO-UHFFFAOYSA-N	307.423	1.207	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNc2ncc(Cl)cn2)cn1	857358146	PZZWHWDRLLFEJJ-UHFFFAOYSA-N	306.757	1.974	50	20	DDGD	
Cc1cccc2[nH]c(C=NNC(=O)[C@H]3CCS(=O)(=O)C3)cc12	853284859	LHSZIJCZNCWQKY-NSHDSACASA-N	319.386	1.361	50	20	DDGD	
COC[C@@H](C)Oc1ccc(C=NNC(=O)c2ccnnc2)cc1	853360188	XNLQVOMPSJSWIT-GFCCVEGCSA-N	314.345	1.654	50	20	DDGD	
CC1(CNC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CC1	752013599	PXHZNELTTFQBJB-UHFFFAOYSA-N	313.361	1.616	50	20	DDGD	
CC(C)N1CCC[C@H]1C(=O)NNc1ccc(C(F)(F)F)nn1	935081164	XQSBIAVPJMJTIP-VIFPVBQESA-N	317.315	1.811	50	20	DDGD	
CC[C@@H]1CN(C)CCN1C(=O)NC[C@]1(C)C[C@H]1Br	856957986	IVCPYJAPQCPCIH-WZRBSPASSA-N	318.259	1.896	50	20	DDGD	
CCOC1(C(=O)NC[C@]2(C)C[C@H]2Br)CCOCC1	857688997	SEMFDPONMHJCRI-PWSUYJOCSA-N	320.227	1.862	50	20	DDGD	
COCCCNC(=O)NNC(=O)C1(OC)CCCCCC1	930733254	LNCZLSRAQGICKG-UHFFFAOYSA-N	301.387	1.093	50	20	DDGD	
Cn1ncc(C2CC2)c1C(=O)NNCC(F)(F)C(F)(F)F	863102779	WCMGQWRUMLJJCN-UHFFFAOYSA-N	312.242	1.730	50	20	DDGD	
O=C(CNC(=O)c1cccc(O)c1)NNc1cccc(Cl)c1	769680766	UREBSEPGICNXND-UHFFFAOYSA-N	319.748	1.919	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)NNc2nc3ccccc3[nH]2)C1	768494601	FLSOBGFWLNCADC-HNNXBMFYSA-N	301.350	1.265	50	20	DDGD	
COc1c(C)cc(C(C)=NNC(=O)[C@H]2CCC(=O)N2)cc1Cl	863150457	UWVASSOSQIJAJZ-GFCCVEGCSA-N	323.780	1.776	50	20	DDGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)CC[C@H]2C1	766272169	PYYPOJDWTJZZLE-ULIPXBITSA-N	312.329	1.766	50	20	DDGD	
CC(C)(C)c1[nH]cnc1C(=O)NNC(=O)OCC(F)(F)F	869282012	UIWFPIWTECZPOR-UHFFFAOYSA-N	308.260	1.641	50	20	DDGD	
C=CC(=O)N(C)CC(=O)NNc1ccc(C(=O)OCC)c(C)c1	861789524	IDEACIDASJOSMJ-UHFFFAOYSA-N	319.361	1.259	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCOc1ccc(F)cc1Cl	768412993	MWNNXRYOAFEHQC-UHFFFAOYSA-N	317.748	1.941	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C1CCC[C@H](C(F)(F)F)C1	863186538	ASNQGBIELKESEJ-ZETCQYMHSA-N	300.302	1.256	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NN=C1CCN2CCC[C@@H]12	765562407	HAYURXXMJRJFHW-ABAIWWIYSA-N	305.353	1.933	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN[C@H](CCO)C1CCCCC1	760864696	WYCXUJVXJOZVRI-CYBMUJFWSA-N	313.442	1.101	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCN2C(=O)CC[C@@H]2C1	768370088	SJZNVNZHXBVNAA-KOLCDFICSA-N	317.227	1.629	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccc(-c2cc[nH]n2)s1	762187776	DLMNYHPJDRBNFU-UHFFFAOYSA-N	304.310	1.824	50	20	DDGD	
CCN(CCC1CC1)CC(=O)NNC(=O)c1cccc(C)c1	760879107	AJXTUBXDZURTFC-UHFFFAOYSA-N	303.406	1.878	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(c2cccc(F)c2)CC1	870053519	ZOBHEUSSXFTVED-OUKQBFOZSA-N	303.337	1.918	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1CCOc2ccccc21	874106115	ZUMKSUFRQBEDCC-UHFFFAOYSA-N	302.359	1.950	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H](NC(=O)[C@@]2(C)C[C@@H]2Br)C1	1119637192	YYPYDFBYAVDUHP-ARHDFHRDSA-N	304.184	1.618	50	20	DDGD	
CCC(=NNC(=O)NCC(=O)OC)c1cc(C)ccc1OC	779823242	NFKJXDJBNBKHNT-UHFFFAOYSA-N	307.350	1.590	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2ccc(-c3cnn(C)c3)cc2)n[nH]1	1116887236	YGLMGKMYSAHZDG-UHFFFAOYSA-N	308.345	1.883	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCCc1ccc2nc(O)[nH]c2c1	770549377	PHBKNFXZXHCYOM-UHFFFAOYSA-N	319.365	1.284	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C2CCOCC2)cc1OC	877931457	QROXQUULQGVHQO-UHFFFAOYSA-N	323.349	1.283	50	20	DDGD	
COc1nc(Cl)c(C=NNC(=O)c2cccc(C)n2)n1C	1117703853	HESBOXQZJJYGMD-UHFFFAOYSA-N	307.741	1.549	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@H]2C2CC2)c1	777579196	SYTWAGZFJZJGKA-HNNXBMFYSA-N	301.390	1.630	50	20	DDGD	
COc1ccc(C(=O)NNc2ccnc(Br)c2)nn1	771540273	IATQCYXOROKINW-UHFFFAOYSA-N	324.138	1.400	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc(O)c(C(=O)O)c1	777427239	VIOPHJPEXSDVLD-UHFFFAOYSA-N	307.350	1.272	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc(F)c(F)c1N(C)C	872400108	NTDWZJXJAGCGGU-UHFFFAOYSA-N	315.320	1.144	50	20	DDGD	
CN(C)c1nccc(CNC(=O)NNc2cc(Cl)ccn2)n1	778721985	OILKBRDHHDOTJU-UHFFFAOYSA-N	321.772	1.417	50	20	DDGD	
C[S@](=O)c1cccc(C(=O)NNc2ccc(Cl)nn2)c1	771735602	QUUWEUOZHNMCDM-FQEVSTJZSA-N	310.766	1.624	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc(C#N)cc1F	772845243	PGPFPHATXSGIKL-UHFFFAOYSA-N	304.325	1.452	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CCC(=O)c1ccccn1	770220974	UNJJXXWKSWJWKE-UHFFFAOYSA-N	311.341	1.814	50	20	DDGD	
Cc1cccnc1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	772184752	JDYVGFINKYLOCW-LLVKDONJSA-N	307.350	1.129	50	20	DDGD	
Cc1occc1CN(C)CC(=O)NNC(=O)c1cccs1	771795763	JKINBEOWKZPOPA-UHFFFAOYSA-N	307.375	1.543	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCc1cc(C(N)=O)no1	771343279	JMKPCSOLSOSYQL-UHFFFAOYSA-N	307.285	1.047	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1c(F)ccc(OC)c1OC	887148079	NDOLFXJDLDWXCM-UHFFFAOYSA-N	308.309	1.407	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NCC(Cl)Cl)c(OC)c1	880166173	ODEAHSHZQWACMD-UHFFFAOYSA-N	320.176	1.980	50	20	DDGD	
COC1CCN(Cc2cn(/C=C/CBr)nn2)CC1	881294907	GLUGPYQIQXBAEC-QHHAFSJGSA-N	315.215	1.755	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccccc1OCC1CC1	883062916	WKERAZNUZZSCJB-UHFFFAOYSA-N	318.373	1.663	50	20	DDGD	
N#CC1=CCN(C(=O)Cn2cc(C(N)=O)c3ccccc32)CC1	780688549	JUQXCNVZODATLV-UHFFFAOYSA-N	308.341	1.422	50	20	DDGD	
Cc1nc(NC(=O)NNC(=S)N[C@@H]2CCCC[C@H]2C)no1	781111518	MSVCIYVJUPXUJW-VXNVDRBHSA-N	312.399	1.457	50	20	DDGD	
O=C(NCc1cc2ccccc2o1)NNC(=O)C1CCOCC1	883150741	SFLFMTLAVSOGMT-UHFFFAOYSA-N	317.345	1.690	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2nccnc2Cl)c2ccccc21	789907384	TXEMOPAAZFGQED-SNVBAGLBSA-N	302.721	1.943	50	20	DDGD	
C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)NNC(=O)c1cccnn1	883458705	UQFDOMAIQXCBIL-BBRMVZONSA-N	311.345	1.151	50	20	DDGD	
C[C@@H](OC(=O)CCCC[C@@H]1CCSS1)C(=O)NC(N)=O	786590009	JXUAOMDZUWZRDD-RKDXNWHRSA-N	320.436	1.827	50	20	DDGD	
CC(C)(C)C(=O)NC1CCC(C(=O)NNC(=O)C2CCC2)CC1	789942697	RLTSXESPEHAKIZ-UHFFFAOYSA-N	323.437	1.655	50	20	DDGD	
CN(N=Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)C(N)=O	783862041	BYFJQNPJPCDYJH-UHFFFAOYSA-N	313.148	1.919	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NN=C[C@@H]1CCSC1	782152059	NGSWITHPDNEWBF-JTQLQIEISA-N	309.347	1.829	50	20	DDGD	
CCCC(=O)N1CCCC[C@@H]1C(=O)NNc1ccc(C#N)cn1	899661608	CTFCULBCDXTXKA-CYBMUJFWSA-N	315.377	1.578	50	20	DDGD	
COc1cc(NNC(=O)NCCn2cccn2)ccc1Cl	789021582	MGQIMTJWLXNYMD-UHFFFAOYSA-N	309.757	1.871	50	20	DDGD	
NC(=O)c1ccc(NC(=O)NNc2ncncc2Cl)cc1F	782035020	XCRNMIMOVXGYFZ-UHFFFAOYSA-N	324.703	1.517	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2nc(C)n3ccccc23)n1	794077306	MXGLFUKTWONMBK-UHFFFAOYSA-N	309.329	1.421	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=S)NC(C)(C)C)s1	899995309	LYNJYUAIJJARGZ-UHFFFAOYSA-N	300.453	1.921	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNc1cccc(S(C)(=O)=O)c1	793778393	BUDKIDCCXZEUEA-MFKMUULPSA-N	314.407	1.594	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccnn1C1CCCC1	791242829	LAQZSMBOBVCPCA-UHFFFAOYSA-N	311.349	1.798	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1c(F)ccc(O)c1F	794502296	QDEBAZIUIKIUBS-UHFFFAOYSA-N	323.255	1.144	50	20	DDGD	
N#CCOc1cccc(/C=C(\C#N)S(=O)(=O)NC2CC2)c1	794945325	ZSUJTRLISFTZRW-NTEUORMPSA-N	303.343	1.535	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCN(C)C2CCCCC2)n1	791130781	BXVOPAZWWXGMLU-UHFFFAOYSA-N	321.425	1.891	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@H]2CCC(F)(F)C2)c1O	795011683	FFKJNDWORCWPFE-QMMMGPOBSA-N	314.288	1.597	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)N2CCN(C)CC2)C[C@@H]1C	790179040	QPDCWZWVBKRPDW-GXTWGEPZSA-N	324.425	1.299	50	20	DDGD	
CC[C@@H]1CCC[C@H]1NCC(=O)NNC(=O)Cc1nc(C)cs1	794576814	ZFQILRWCCUZYOA-VXGBXAGGSA-N	324.450	1.310	50	20	DDGD	
Cc1c[nH]nc1C(=O)NNC(=S)Nc1cccc(C)c1C	799407766	ZLIWIBDKNQJWOW-UHFFFAOYSA-N	303.391	1.966	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C	792809804	QTJDREPVJMYNQZ-SNVBAGLBSA-N	313.398	1.435	50	20	DDGD	
COc1ccccc1CONC(=O)NNC(=O)c1ccccc1	798509941	FYWFRXNXWXSXCH-UHFFFAOYSA-N	315.329	1.771	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2	712925667	NYCKOVJWICKSJK-UTUOFQBUSA-N	307.843	1.882	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(S)n1)c1cc(C)c(C)o1	799873884	NMICAVVNDCUYIS-UHFFFAOYSA-N	320.374	1.764	50	20	DDGD	
COC(=O)c1cc(CNC(=O)NNC(=O)CC(C)C)oc1C	1319047996	RMRTVNFBIXMRLF-UHFFFAOYSA-N	311.338	1.251	50	20	DDGD	
O=C(CSCc1cccs1)NNC(=O)N=c1cc[nH]cc1	1327173319	WOFKGYPKRXDTDA-UHFFFAOYSA-N	322.415	1.651	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccnc(Cc2ccccc2)n1	1320874849	QQCWSLORXQOUQF-UHFFFAOYSA-N	315.333	1.850	50	20	DDGD	
CN(C)[C@@H](C(=O)NNC(=O)NCC1CC1)c1cccc(Cl)c1	1329339596	QFKSEBGZGGIKHI-CYBMUJFWSA-N	324.812	1.683	50	20	DDGD	
COc1cc(F)cc(NC(=O)C(=O)NNc2ncccc2C)c1	1320726422	HVBQGZQMLYKPCU-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
Cc1ccc(CNC(=O)NNc2nncc(N)c2Cl)cc1	1322632920	KKPNCPYKURWYAO-UHFFFAOYSA-N	306.757	1.847	50	20	DDGD	
Cc1c(C(=O)NN[C@@H](C)C(F)(F)F)cnn1-c1ccncc1	1335315224	XEGIQUZSSLVHJP-VIFPVBQESA-N	313.283	1.761	50	20	DDGD	
C[C@@H]1CCc2ccccc2[C@H]1NC(=O)NNC(=O)c1cn[nH]c1	1332649050	AKONMGWTLGQKRS-YGRLFVJLSA-N	313.361	1.677	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ncc(F)cc2F)cc1	1255801218	UTEZLYBURALMFE-UHFFFAOYSA-N	307.256	1.443	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc(C(F)(F)F)cnc1O	1332407436	HIUVLOMPRWUUCL-UHFFFAOYSA-N	322.312	1.323	50	20	DDGD	
Cn1cnc2cc(C(=O)NNc3nncc(N)c3Cl)ccc21	1253571278	XKOBJTPCAFICLG-UHFFFAOYSA-N	317.740	1.356	50	20	DDGD	
CC(C)N(C)c1ccc(C=NNC(=O)C2CCOCC2)cn1	1331349778	CEPMUQSIIAXOEN-UHFFFAOYSA-N	304.394	1.803	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Nc2ccc(C)cn2)cc1	1337815435	KUJSORBVRCBMPZ-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
Cc1cc(=NNC(=O)NCCC(=O)N2CCC[C@@H](C)C2)cc[nH]1	1346642724	VBEKTNOSSBMENN-GFCCVEGCSA-N	319.409	1.087	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc2c(cn1)OCCC2	1262152678	BTSPUZDPKHWKCP-UHFFFAOYSA-N	308.407	1.314	50	20	DDGD	
CN(C)CC1(O)CCN(C(=O)c2cccc(CCl)c2)CC1	1262636417	RVMHLPOXKOFQLC-UHFFFAOYSA-N	310.825	1.954	50	20	DDGD	
CN(C)C[C@@]1(O)CCN(C(=O)[C@H](Br)C(C)(C)C)C1	1263878863	GMFXQZSYUVNAMD-GWCFXTLKSA-N	321.259	1.321	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccc(C(=O)O)c(F)c2)c1Cl	1608156214	XIYUKEYBEKFEQB-UHFFFAOYSA-N	312.688	1.668	50	20	DDGD	
Cc1c(NNC(=O)c2ccn(CC(F)F)n2)cccc1C(=O)O	1600054278	RHFKQSPSQLPHAE-UHFFFAOYSA-N	324.287	1.912	50	20	DDGD	
O=C(C[C@H](O)Cc1ccccc1)NNc1cccc(C(=O)O)c1	1601242256	HBWPDSINYARDAW-OAHLLOKOSA-N	314.341	1.822	50	20	DDGD	
C#CCN1CCC(C(=O)NNc2cccc(C(=O)O)c2F)CC1	1609158719	DMLCLGIFCULRJQ-UHFFFAOYSA-N	319.336	1.312	50	20	DDGD	
Cc1cccc(Br)c1NNC(=O)COCC(=O)O	1600510176	PQJGOMSCHMHPCU-UHFFFAOYSA-N	317.139	1.302	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccc(/C=C/C(=O)O)o2)n1	1600178800	LAXZAYROUXCIEV-ZVSKBXCXSA-N	316.317	1.341	50	20	DDGD	
N#Cc1ccc(NNC(=O)Nc2cc(C(=O)O)ccc2F)nc1	1601107924	RSDUTSAZSTYVMN-UHFFFAOYSA-N	315.264	1.939	50	20	DDGD	
Cc1nnc(O)c(C(=O)NNc2ccccc2C(=O)O)c1C	1600668844	UVZLZQOPSJWKDJ-UHFFFAOYSA-N	302.290	1.254	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)c1cnc2[nH]cnc2c1	1608483766	ZFWZTOKXAUXUTM-UHFFFAOYSA-N	315.264	1.552	50	20	DDGD	
O=C(O)C1(N(C2CC2)S(=O)(=O)CBr)CCC1	1601717761	BNPLKVVUOSNFBG-UHFFFAOYSA-N	312.185	1.140	50	20	DDGD	
C[C@@]1(COC(=O)c2cc(C(=O)O)no2)C[C@H]1Br	1604583322	VGKHGRVAUDDSGF-XCBNKYQSSA-N	304.096	1.703	50	20	DDGD	
Cc1c(NNC(=O)N[C@H]2CCOC2(C)C)cccc1C(=O)O	1607553419	SGQNGUUBXFSOHO-LBPRGKRZSA-N	307.350	1.887	50	20	DDGD	
CC(C)CN1CCC[C@@H]1C(=O)NNc1ncccc1C(=O)O	1603025713	LKQLOGHOPZTJCL-GFCCVEGCSA-N	306.366	1.343	50	20	DDGD	
O=C(NNc1ncccc1F)c1sccc1-c1nn[nH]n1	1606861751	BKTVICXNGDLOMX-UHFFFAOYSA-N	305.298	1.219	50	20	DDGD	
Cc1cc(C)n(CCC(=O)NNc2cccc(C(=O)O)c2)n1	1600179564	MGSASLRYYQUOSW-UHFFFAOYSA-N	302.334	1.732	50	20	DDGD	
C[C@H](Cc1ccc(NCc2cccc(B(O)O)c2)cc1)C(=O)O	1604227541	CCBJFYXVJGFLFR-GFCCVEGCSA-N	313.162	1.242	50	20	DDGD	
O=C(O)C1(C(=O)NNc2ccc(F)cc2Br)CC1	1605935507	LSDWFAHARDWPEI-UHFFFAOYSA-N	317.114	1.896	50	20	DDGD	
N[C@@H]1CCC[C@@H](NC(=O)NNc2ccc(F)c(C(=O)O)c2)C1	1601179044	FAMDEWSHOGTADE-RKDXNWHRSA-N	310.329	1.420	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2ncc(Cl)cn2)cc1	1602128781	WMCDPSBTHNHSCP-UHFFFAOYSA-N	306.709	1.514	50	20	DDGD	
O=C(O)/C=C/c1ccc(C(=O)NNC(=O)NCc2ccco2)o1	1601878171	VIZUMAWGAYEVQZ-GQCTYLIASA-N	319.273	1.115	50	20	DDGD	
CSC[C@@H](C)NC(=O)NNc1ccc(C(=O)O)cc1F	1610382462	GNFLOEUTZUVKLH-SSDOTTSWSA-N	301.343	1.902	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)C1(O)CCCCC1	1610286081	RLCMUEFLJJRYQO-UHFFFAOYSA-N	308.334	1.532	50	20	DDGD	
Cn1c(=NNC(=O)[C@H]2C[C@@H]3[C@@H](N)C[C@H]3C2)sc2ccccc21	1553398165	RSXOKTYQKWOHHW-WYUUTHIRSA-N	316.430	1.545	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1cccc2nccnc12	1574820541	RVUSJTCZRIMLQP-UHFFFAOYSA-N	309.285	1.480	50	20	DDGD	
C[C@H](N)[C@H](C)NC(=O)NNc1cc(Br)ccc1F	1576105312	PGXCDUOKWOTQHG-BQBZGAKWSA-N	319.178	1.950	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccc(CN)cc2)c1F	1578878117	PEYOYYUSKYCKIC-UHFFFAOYSA-N	317.320	1.828	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2CSCN2)cc1C	1579724380	WZICHAAZDCXTCV-NSHDSACASA-N	310.448	1.284	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H](CN)c1ccccc1)C1CC1	1576233887	LXXVTYLWVZVBEQ-GXFFZTMASA-N	306.435	1.023	50	20	DDGD	
N[C@H](C(=O)NNC(=S)NCC1CCC1)C1CCCCCC1	1580115152	NFPNJIFMFYSXON-ZDUSSCGKSA-N	312.483	1.580	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@@H]1CNc2ccccc21	1580724008	XSVKLYGDLSHCIJ-GFCCVEGCSA-N	300.318	1.319	50	20	DDGD	
C[C@@H](CC(=O)O)NC(=O)NNc1ccc(Br)cn1	1589001243	IJKOQCNZFVOYJN-LURJTMIESA-N	317.143	1.333	50	20	DDGD	
CC(C)(C)C[C@@H](O)CC(=O)NNc1ccc(CC(=O)O)cc1	1589757346	UUMKSXHSDDNWMG-ZDUSSCGKSA-N	308.378	1.944	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cccn1C)C2	1845163676	LSFNIKCKAVGHRR-GFCCVEGCSA-N	323.824	1.860	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H](C)OC)C1	1846401661	PAGCGXWMVZHTTD-NWDGAFQWSA-N	316.829	1.632	50	20	DDGD	
CCCCOCCNC(=O)NNc1cccc(C(=O)O)c1F	1595771635	AQUJNTVHFJVTFP-UHFFFAOYSA-N	313.329	1.967	50	20	DDGD	
C[C@@H](CBr)CN1CC[C@@]2(CC(C(=O)O)=NO2)C1	1592212088	PGJKKLRJLPUFMX-GZMMTYOYSA-N	305.172	1.323	50	20	DDGD	
COC[C@@H](CNC(=O)NNc1cccc(C(=O)O)c1)C(C)C	1599167468	VQWAJGZWPAJXOD-GFCCVEGCSA-N	309.366	1.930	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@H](C(=O)O)c1ccc(C)cc1	1596864153	QCYNQHVMKDMDHZ-ZVHGMHCTSA-N	302.330	1.723	50	20	DDGD	
COC(C)(C)[C@@H](C)NC(=O)NNc1cccc(C(=O)O)c1F	1599031613	NSTJEIYOYADTIT-MRVPVSSYSA-N	313.329	1.964	50	20	DDGD	
CO[C@H]1CCC[C@H](CC(=O)NNc2ccc(C(=O)O)cn2)C1	1599111182	BLLPBMNVLJTFGI-JQWIXIFHSA-N	307.350	1.818	50	20	DDGD	
CCc1noc(C)c1C(=O)NNc1ccc(CC(=O)O)cc1	1597742149	JDZSZQVNONDVTM-UHFFFAOYSA-N	303.318	1.929	50	20	DDGD	
Cn1nc(C(=O)O)cc1C=NNC(=O)c1cccc(Cl)c1	1594571633	AEXHJLRSOIVJAX-UHFFFAOYSA-N	306.709	1.536	50	20	DDGD	
COCC1(CC(=O)NNc2ccc(C(=O)O)cc2OC)CC1	1599197486	WYBYPMJLSUFXRR-UHFFFAOYSA-N	308.334	1.653	50	20	DDGD	
O=C(O)[C@]1(C(=O)NNc2ccc([N+](=O)[O-])cc2)CC=CCC1	1594868067	XYBCZVSAKKXCET-CQSZACIVSA-N	305.290	1.849	50	20	DDGD	
O=C(O)c1ccc2c(c1C=NNC(=O)[C@H]1CCCCO1)OCO2	1776077588	GYSKCADBUMZHAX-GFCCVEGCSA-N	320.301	1.133	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=C1CCc2cccc(C(=O)O)c21	1776058035	AGEQEJXKZFFDPB-UHFFFAOYSA-O	310.333	1.139	50	20	DDGD	
CC(C)(C)CC(=O)NN=Cc1c(C(=O)O)ccc2c1OCO2	1776041933	VHHWBHYOZKFIIL-UHFFFAOYSA-N	306.318	2.000	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C/c1cccn2c(C(=O)O)cnc12	1776825521	XXXOCUQZXCOANY-YRNVUSSQSA-N	319.342	1.722	50	20	DDGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2c(C(=O)O)cnn2C)c1	1776119479	CBAWXANVKCCAQO-YRNVUSSQSA-N	310.313	1.972	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)C(C)C)CCO2)C1	1781214085	PNMZBEDRCXGNRU-DOMZBBRYSA-N	316.829	1.490	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNc1ccccc1[N+](=O)[O-]	15502131	VXSLFPWXDFVIKA-UHFFFAOYSA-N	312.285	1.989	50	20	DDGD	
O=C(Cc1cc(F)ccc1F)NNC(=S)Nc1ccccn1	161743108	LKQWVIRWXJYGPK-UHFFFAOYSA-N	322.340	1.920	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)CCC(=O)N2CCOCC2)c1	158944227	MQQUOZMKXMRAFV-UHFFFAOYSA-N	305.378	1.386	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccnc(OCC(F)F)c1	160318457	RFWSRHCFFCWJIB-UHFFFAOYSA-N	316.308	1.470	50	20	DDGD	
Cc1noc(C)c1[C@H](C)C(=O)NNC(=O)NCc1ccco1	154000007	PXVQNBWVZVYVQT-QMMMGPOBSA-N	306.322	1.519	50	20	DDGD	
CCc1cc(C(=O)NNc2nccc(N(CC)CC)n2)[nH]n1	155786282	ROHJLPMASNHUJG-UHFFFAOYSA-N	303.370	1.365	50	20	DDGD	
CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)S(=O)(=O)CCl	907444038	UTMHPHOZUPNOFQ-VIFPVBQESA-N	312.819	1.454	50	20	DDGD	
CCn1c(C(=O)NNC(=O)Cc2cc[nH]n2)cc2ccccc21	106416550	ABAMUHPTIQKKDY-UHFFFAOYSA-N	311.345	1.388	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Cc2ccccc2[N+](=O)[O-])c1	103403077	HGTMOCCTMIUZMR-UHFFFAOYSA-N	324.296	1.470	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NC[C@@H](C)C(=O)OC)cc1	101887393	JHFZTXQYFQVCRF-OJLMPMFISA-N	316.357	1.918	50	20	DDGD	
CC(C)=CC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C	68193332	XVGLDWWNEDCSRS-UHFFFAOYSA-N	324.406	1.015	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@H]1CCCN1C(C)=O)c1ccccc1	110963309	IYMBPBHRYZEFIV-HUUCEWRRSA-N	317.389	1.339	50	20	DDGD	
Nc1cnnc(NNC(=O)Cc2c[nH]c3cnccc23)c1Cl	1347689310	YIQYPWIEGXCBNV-UHFFFAOYSA-N	317.740	1.274	50	20	DDGD	
Cc1ccn2cc(C(=O)NNC(=O)NCc3ccco3)nc2c1	65176869	WMEOXZMGNJYBFK-UHFFFAOYSA-N	313.317	1.380	50	20	DDGD	
COc1cc(F)cc(NNC(=O)COCc2cc(C)on2)c1	1346932195	DFYFATXYCZTJKV-UHFFFAOYSA-N	309.297	1.791	50	20	DDGD	
Cc1cnn(CCC(=O)NNC(=O)CCOc2ccccc2)c1	61475190	HFZNTEUOOTUDFU-UHFFFAOYSA-N	316.361	1.198	50	20	DDGD	
CCNc1ncc(C(=O)NNC(=O)c2ccccc2O)s1	125132779	ZTPOXIXINIAPFW-UHFFFAOYSA-N	306.347	1.355	50	20	DDGD	
COCc1ccc(C=NNC(=O)c2n[nH]c3c2CCCC3)o1	1340494410	DJIKCBALCPSOIU-UHFFFAOYSA-N	302.334	1.792	50	20	DDGD	
C/C=C/C[C@@H](CO)NC(=O)NNC(=O)CCCc1ccccc1	185668192	KVIAYAVXQVEJGQ-FAAWYNLUSA-N	319.405	1.667	50	20	DDGD	
CCC1(C(=O)NNC(=O)CNC(=O)c2ccco2)CCCCC1	185817042	LTQAIRIBTBBLDV-UHFFFAOYSA-N	321.377	1.517	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CO)c1ccc(OC(F)(F)F)cc1	188166378	ULBLVBVMOMHAKZ-UHFFFAOYSA-N	320.267	1.003	50	20	DDGD	
COc1ccc2c(c1)C[C@H](C(=O)NNc1ccnc(F)c1)CO2	182451398	AEIUXGUDRZCWKE-NSHDSACASA-N	317.320	1.924	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cccc(F)c1C#N)C1CC1	189206649	XTKYUYLXGBGERW-QMMMGPOBSA-N	306.366	1.605	50	20	DDGD	
Cc1ccn2c(=O)c(C(=O)NNc3ccc(F)cc3)cnc2c1	76341232	XULDOTWIWRINOQ-UHFFFAOYSA-N	312.304	1.899	50	20	DDGD	
CCOC[C@H]1CCCN(CC(=O)NNC(=O)c2ccccc2)C1	72977260	APKYZWFVQNEIKN-AWEZNQCLSA-N	319.405	1.196	50	20	DDGD	
CCCOc1cc(OC)ccc1C(=O)NNC(=O)c1ccc[nH]1	189731349	IBKPIELQNSLWPZ-UHFFFAOYSA-N	317.345	1.887	50	20	DDGD	
CCOCCC1(C(=O)NNc2ncnc3nc[nH]c23)CCC1	129116803	ZWIFHYZICYDFLD-UHFFFAOYSA-N	304.354	1.393	50	20	DDGD	
O=C(NNc1ccccn1)Nc1ccn(CC(F)(F)F)n1	180638558	ZKPPIMWEJUMTJL-UHFFFAOYSA-N	300.244	1.989	50	20	DDGD	
CN1CCO[C@@H](C(=O)NNc2ccc(OC(F)F)cc2)C1	122053888	VNYYITIESSQHDB-LLVKDONJSA-N	301.293	1.062	50	20	DDGD	
CC[C@H]1C[C@@H](C(=O)NNc2nc(-c3ccncc3)no2)CCO1	183585686	PXINVSSPQWOZEG-RYUDHWBXSA-N	317.349	1.780	50	20	DDGD	
C[C@H](Oc1ccc(C#N)cc1)C(=O)NNc1ncc(F)cn1	122656952	BLFAGUITNULWAE-VIFPVBQESA-N	301.281	1.398	50	20	DDGD	
CC(=O)Nc1cccc(NC(=O)NNC(=O)c2cccn2C)c1	183236729	GRHPYQMZJNXTBN-UHFFFAOYSA-N	315.333	1.450	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)CCCc2ccccc2)CC1	73331092	BMCGDWWGPLTIER-UHFFFAOYSA-N	318.373	1.500	50	20	DDGD	
O=C(CN1CCCCCCC1=O)NNC(=O)c1ccccc1	47972090	DDUIMPICOSZUFF-UHFFFAOYSA-N	303.362	1.240	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1ccc(Cl)c(F)c1	130304381	BPSVDDPHSXWPSS-UHFFFAOYSA-N	306.688	1.902	50	20	DDGD	
CCc1cccc(C)c1NC(=O)C(=O)NNc1cc(C)ncn1	190137386	PVLZQOMAZFGOAH-UHFFFAOYSA-N	313.361	1.738	50	20	DDGD	
CC(C)Nc1ncccc1C(=O)NNC(=O)Cc1ccncc1	82977779	MRKKQGCNLSJVRD-UHFFFAOYSA-N	313.361	1.301	50	20	DDGD	
CCc1ccc(S(=O)(=O)NNC(=O)c2cccn2C)cc1	137471553	XFLXXFOVWCPRGA-UHFFFAOYSA-N	307.375	1.211	50	20	DDGD	
Cc1noc([C@H]2CCCN(CCI)C2)n1	190830624	GZYMQVZCLWJSEA-VIFPVBQESA-N	321.162	1.992	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)c1cccn1C	90508386	NZXVYLZXAJQRFS-UHFFFAOYSA-N	319.386	1.587	50	20	DDGD	
O=C(CSCC(=O)c1ccccc1)NNC(=O)C1CCC1	264828010	YNPBGVCTSQLHRK-UHFFFAOYSA-N	306.387	1.550	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NC[C@@H](C)c1ccccc1	267247020	ZABBUWKMHNCEER-CHWSQXEVSA-N	323.393	1.172	50	20	DDGD	
COc1cccc(O[C@@H](C)CNC(=O)NNC(=O)C2CCC2)c1	266500413	FKHGRKNFOIPHSN-NSHDSACASA-N	321.377	1.593	50	20	DDGD	
CC(=O)N(CCC(=O)NNC(=O)C1CCC1)Cc1ccccc1	264763572	NABSVROGBAJNHN-UHFFFAOYSA-N	317.389	1.373	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)COc2ccc(C)cc2)O1	268253918	CNIIMPANEGTKQC-TZMCWYRMSA-N	306.362	1.479	50	20	DDGD	
COC(C)(C)CC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	278730916	HZGBVEUKUXXDOW-UHFFFAOYSA-N	316.361	1.653	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)cn1	278262392	DDFPGIDLXFQBTQ-RKDXNWHRSA-N	324.793	1.700	50	20	DDGD	
CC(=O)c1ccc(NC(=O)C(=O)NNC(=O)C2CCC2)cc1C	274115996	ROXSPGWKEYUMLJ-UHFFFAOYSA-N	317.345	1.084	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NOCCC(F)(F)F)n1	275074798	WBYIXFKHPIWWEK-UHFFFAOYSA-N	309.248	1.304	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C[C@@H](C)C(=O)c1cccc(F)c1	272688412	PUTYDRAZYKNMNT-SNVBAGLBSA-N	309.341	1.727	50	20	DDGD	
Cn1ccc2ccc(NC(=O)C(=O)NNC(=O)C3CCC3)cc21	274129849	VFXRGOFISPLBFG-UHFFFAOYSA-N	314.345	1.064	50	20	DDGD	
COCCC1(C(=O)NNc2ccc(C(=O)OC)cn2)CCC1	270340182	BTKBOCSEQMGAAD-UHFFFAOYSA-N	307.350	1.518	50	20	DDGD	
CC[C@H]1C[C@@H](CC(=O)NNc2ccc(C(=O)OC)cn2)CCO1	272776048	HZTFKMBGPFHMSX-AAEUAGOBSA-N	321.377	1.907	50	20	DDGD	
CC(C)[C@]1(C)C[C@@H]1C(=O)NNC(=O)Cn1cnc2ccccc21	274918197	KOTDMIVGIJYYND-PXAZEXFGSA-N	314.389	1.866	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NNc1nccn(C)c1=O	274360541	KUESYDCNJSRQNX-RYUDHWBXSA-N	308.382	1.209	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(Cl)cn1	287694594	DHCNOYPMACEYBM-UHFFFAOYSA-N	315.757	1.285	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@H]2CNC[C@@H]2C1	289814984	ANFOZLGQXDCEPF-QWHCGFSZSA-N	310.829	1.420	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cnn(CCF)c1)c1ccccc1	287438005	CRWMQTQZBUEWJB-UHFFFAOYSA-N	318.352	1.591	50	20	DDGD	
CCOc1ccc(C(=O)NCC(=O)NCC(Cl)Cl)cc1	288241587	OEVGZNRLRSKVSI-UHFFFAOYSA-N	319.188	1.735	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1conc1C1CC1	289390037	MIURERNOXJWGFH-UHFFFAOYSA-N	300.318	1.425	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H](NC(N)=O)C(C)(C)C	288742234	PRXOSFGFVQDECL-NSHDSACASA-N	323.353	1.429	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cnc(C2OCCO2)s1	288788253	DUDSFOBXPPHVCD-UHFFFAOYSA-N	313.379	1.386	50	20	DDGD	
Nc1nc(C2CCCC2)ncc1C(=O)NNC(=O)c1ccc[nH]1	287096366	LMIOKHOALOZLGL-UHFFFAOYSA-N	314.349	1.119	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1c(C(C)C)nn(C)c1Cl	281224048	MKXZFAAUZISXQO-UHFFFAOYSA-N	315.830	1.492	50	20	DDGD	
CCCN(NC(=O)Cn1ccc(C)cc1=O)C(=O)OC(C)(C)C	286578002	SEWQHIATUDSEQJ-UHFFFAOYSA-N	323.393	1.835	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)N[C@@H](C1CC1)C(F)(F)F	288654753	ADXFJKYGPLDESX-VIFPVBQESA-N	302.256	1.367	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CCCCN1Cc1ccccc1	286512916	XBLIIOGKQBVLBD-CQSZACIVSA-N	305.378	1.771	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cc[nH]c1C(C)C	285720468	PHXVSQSUNVVPQU-UHFFFAOYSA-N	308.382	1.204	50	20	DDGD	
COCCCONC(=O)NNC(=O)c1cccc2ccccc12	288099905	UKYGLDYPSWXDBH-UHFFFAOYSA-N	317.345	1.752	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](C)OCCc1ccccc1	295021729	UPAZCPCEYOGLRW-LBPRGKRZSA-N	316.361	1.576	50	20	DDGD	
C[C@H](C(=O)NNC(=O)NC1CC1)[C@@H]1OCCc2sccc21	293017592	UZWHFZAAPPJTMM-UFBFGSQYSA-N	309.391	1.491	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1cnc2[nH]nnc2c1	805473450	NIVWYWUDIGTADN-UHFFFAOYSA-N	310.321	1.167	50	20	DDGD	
CC(C)CN1C[C@@H](C(=O)NNC(=O)Nc2ccccc2)CC1=O	801992999	LDYDTTLFQMNEBQ-LBPRGKRZSA-N	318.377	1.344	50	20	DDGD	
C[C@H](NC(=O)NNc1ncc(F)cc1F)C1CCOCC1	297946087	MGEHFNLIQRGOLV-QMMMGPOBSA-N	300.309	1.801	50	20	DDGD	
CC(F)(F)CCNC(=O)NNC(=O)COc1ccccc1F	296050591	BEFUUUZYCMCALU-UHFFFAOYSA-N	319.283	1.580	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1ccnc(C2CC2)c1	804954802	IZASMOUCEXIWRA-UHFFFAOYSA-N	321.344	1.692	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1ccnc(C(F)(F)F)c1	809687676	NIVYZBJBMBNSFV-UHFFFAOYSA-N	323.238	1.524	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1Cc2ccccc21	807370444	IUWYVGVTBXJGSZ-ZDUSSCGKSA-N	306.362	1.263	50	20	DDGD	
COc1cc(Cl)cc(C(=O)NNC(=O)N2CCOCC2)c1	292653209	KJPZMVXSLFFHQQ-UHFFFAOYSA-N	313.741	1.035	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1cnnn1-c1ccccc1	807965558	CEWZWRVZMLJPFC-UHFFFAOYSA-N	314.349	1.033	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCS1)Nc1ccc2c(c1)OCO2	802101110	GHPNYPWGAQEZJF-NSHDSACASA-N	309.347	1.464	50	20	DDGD	
O=Cc1cc(C(=O)NNc2ccc(-n3ccnc3)nn2)cs1	804952516	PVCOOHJJVCCFSP-UHFFFAOYSA-N	314.330	1.293	50	20	DDGD	
C[C@@H]1Oc2ccccc2[C@H]1NC(=O)NNC(=O)[C@@H]1CCCCO1	297029843	JUIZOMSDUFASPI-BPNCWPANSA-N	319.361	1.408	50	20	DDGD	
C[C@H](NC(=O)C1CCCC1)C(=O)NNc1ccccc1[N+](=O)[O-]	298655435	ANUCVJFEGSWCJU-JTQLQIEISA-N	320.349	1.733	50	20	DDGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2cn(C)cn2)cc1	800792398	DIYIVQUEOKQFEL-KPKJPENVSA-N	309.329	1.924	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@H]1CC(=O)N(C2CCCCC2)C1	804773265	SNSQXCVAGQYRHW-NSHDSACASA-N	320.368	1.845	50	20	DDGD	
CCC[C@@H](C)N(C)CC(=O)NNC(=O)Cc1ccccc1C	297941120	RYDBYLXSABEJBG-CQSZACIVSA-N	305.422	1.805	50	20	DDGD	
C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NNc1cccc(Cl)n1	293181516	YKYPLADPSHLHGE-GXSJLCMTSA-N	309.801	1.844	50	20	DDGD	
COc1cc(C#N)ccc1OCC(=O)NNC(=O)C(C)(C)C	298787256	BUTNBRMDSWKINM-UHFFFAOYSA-N	305.334	1.139	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@H]2c3ccccc3O[C@@H]2C)O1	297865694	FWORGOHXAWZOMQ-GIFSMMMISA-N	319.361	1.407	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cccnc1OCC(F)(F)F	298397915	VPRNZMRXDQCTHC-UHFFFAOYSA-N	303.240	1.194	50	20	DDGD	
CN(CCNC(=O)NNc1ccncn1)Cc1ccccc1	296431385	SRGWOQJNCBVBFG-UHFFFAOYSA-N	300.366	1.235	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H]1CCCN1C(=O)c1cccs1	294009086	BFJGXZALFGDXCI-NSHDSACASA-N	321.402	1.300	50	20	DDGD	
O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1O)Nc1ccccc1	801990404	IMFHKEVOXFSBPZ-UHFFFAOYSA-N	316.273	1.767	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCCO2)cc1C	297633521	COLFSUNRBJLNEU-ZDUSSCGKSA-N	305.334	1.529	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCCC[C@@H]1C	297816085	IWAWKSOKELOFFM-AWEZNQCLSA-N	303.406	1.559	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)[C@H]3CCCCO3)[nH]n2)o1	295311338	FSWMOMVQHBSYNN-CYBMUJFWSA-N	318.333	1.308	50	20	DDGD	
CC(=O)C1(C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)CC1	292779658	YJKPVBKBIDVOES-GFCCVEGCSA-N	318.373	1.587	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)CCOc1ccccc1	811639683	DSRXSVBAKNYOTO-ZDUSSCGKSA-N	303.362	1.616	50	20	DDGD	
Cc1cccc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)c1O	814756799	YZTNCTRNAPZNFW-UHFFFAOYSA-N	322.328	1.440	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)COc1ccccc1F)n1cccn1	819004034	KABDIZRYFTUMFX-LLVKDONJSA-N	320.324	1.200	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1nnc2ccccc2n1	810679505	PIIDRKHDMUNPHE-UHFFFAOYSA-N	310.273	1.690	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)CCc1cncn1C	819710926	OCWLUPAHXACHIL-UHFFFAOYSA-N	320.324	1.422	50	20	DDGD	
NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1cccc(C(F)(F)F)c1	816916598	LIHOOIUQVKYRNG-ZJUUUORDSA-N	301.268	1.660	50	20	DDGD	
COC(=O)c1c(F)ccc(NC(=O)NNc2cnccn2)c1F	810339274	RXIIOCAPUOGTAV-UHFFFAOYSA-N	323.259	1.690	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=C1CCn2cccc21	818259687	JDAXBBSLQDTOAN-BFHYXJOUSA-N	318.421	1.457	50	20	DDGD	
Cc1csc(CC(=O)NN=C2CCCc3nc(N)ncc32)n1	814779693	RGQWJOZQYLCSSL-UHFFFAOYSA-N	316.390	1.223	50	20	DDGD	
O=C(NNc1ncncc1F)Nc1nnc(C(F)F)s1	814623156	ZAGNPTCWOUJBHE-UHFFFAOYSA-N	305.245	1.553	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2CCc3cnc(C)n3C2)n1	816836932	FFDAPWYTATUXDN-GFCCVEGCSA-N	300.366	1.304	50	20	DDGD	
O=C(NNc1ncncc1F)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	817080823	GDGMLQGTOKALEA-BGZDPUMWSA-N	320.246	1.415	50	20	DDGD	
ICCN1CCC2(CC1)OCCCO2	815153950	JYYMXUMMVHSHMM-UHFFFAOYSA-N	311.163	1.650	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ncoc1-c1ccc(OC)cc1	813426319	VDHMMGBFIBJYCY-UHFFFAOYSA-N	318.333	1.704	50	20	DDGD	
Cn1c(N)nc(Cl)c1C=NNC(=O)c1cccc(C#N)c1	814836879	YHIUQOXBKRRZFT-UHFFFAOYSA-N	302.725	1.291	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1C[C@]12C(=O)Nc1ccccc12)C(F)(F)F	826943578	YGTAKHJPUGHANX-DXVIDONBSA-N	313.279	1.468	50	20	DDGD	
C[C@@H](Oc1cccc2ccccc12)C(=O)NN(C)[C@H](C)CO	823929138	VJJFXVKDTYJMDG-CHWSQXEVSA-N	302.374	1.951	50	20	DDGD	
CCCc1c(C(=O)NN(C)[C@H](C)CO)cnn1-c1ccccc1	823934601	IHOPMUYJBJOTLI-CYBMUJFWSA-N	316.405	1.782	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)N1CCc2c(Cl)cccc21	495447441	GQIGORZLWVVALY-UHFFFAOYSA-N	311.725	1.006	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	490916610	QCDLGUKOTGVVEM-UHFFFAOYSA-N	323.714	1.188	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1cccc2cc[nH]c12	826974790	UKQZTGOODHSYOE-MFKMUULPSA-N	316.361	1.423	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)CCC1Cc2ccccc2C1	496908125	DKCBUXQQTMTQSZ-UHFFFAOYSA-N	312.391	1.324	50	20	DDGD	
CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccncc1	491045045	DPAKWQXLRPWOTA-LCYFTJDESA-N	306.329	1.512	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CC(F)(F)C(F)(F)C2)cn1	491106667	SYTXKALSNQZEHL-MBXJOHMKSA-N	302.231	1.440	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)Cc1ccc(C#N)cc1	827314621	HMOVCYKYYZLKRF-RISCZKNCSA-N	316.361	1.156	50	20	DDGD	
C[C@@H]1CCCN(C[C@@H](C)NC(=O)/C(C#N)=C/c2cnn(C)c2)C1	491088311	ZGUUFPRYNHFIGX-KSEVXRAHSA-N	315.421	1.564	50	20	DDGD	
COc1cc(C(=O)NNC(=O)NC2CC2)ccc1C(F)(F)F	823768150	PDDSQFONLMRXEO-UHFFFAOYSA-N	317.267	1.820	50	20	DDGD	
O=C(NNC(=O)c1cc[nH]n1)Nc1ccccc1OCC1CC1	821273991	XMJRNYPBIXGLHZ-UHFFFAOYSA-N	315.333	1.665	50	20	DDGD	
CN(Cc1nnc2n1CCC2)C(=O)/C(C#N)=C/c1ccc(O)cc1	491047839	JPZFNWGTOWBQBZ-UKTHLTGXSA-N	323.356	1.495	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C/c1cccc(OCCC(=O)O)c1	490610803	MIRKXQUDISTAIQ-UKTHLTGXSA-N	300.314	1.749	50	20	DDGD	
COC(=O)NNC(=O)[C@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C	496318165	BBTXUCCMVOJSEF-NXEZZACHSA-N	317.386	1.559	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc(OCC)cc1C	901966595	ORAKRJUYBGBCOB-UHFFFAOYSA-N	324.402	1.507	50	20	DDGD	
CC(C)[C@@H]1CC[C@H](C)CCN1C(=O)c1cc(B(O)O)ccc1F	584948263	JJKJFVXWSDKZRQ-LRDDRELGSA-N	321.201	1.792	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc2[nH]c(C)cc2c1	495406820	GCHNESYEHCJRFG-UHFFFAOYSA-N	304.306	1.192	50	20	DDGD	
CN(C)c1cc(C(=O)NN=C2CCc3c(O)cccc32)ccn1	731560793	BFPITUFPGYKOFF-UHFFFAOYSA-N	310.357	1.934	50	20	DDGD	
CCN(CCO)NC(=O)CCc1c(C)nc(SC)nc1C	823838906	XYQRCBCLDBJTKZ-UHFFFAOYSA-N	312.439	1.093	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)C2CCCC2)cnc1Cl	735267191	JQAJLXDEKWWKQA-UHFFFAOYSA-N	317.798	1.543	50	20	DDGD	
COC(=O)N(C)NC(=O)c1csc(-c2ncccc2F)n1	495764109	VENJIFMUSBZFMX-UHFFFAOYSA-N	310.310	1.687	50	20	DDGD	
Cc1cc([C@H](C)NC(=O)c2cccc(B(O)O)c2)c(C)s1	584931044	IQGOYATWIIIJQH-JTQLQIEISA-N	303.192	1.536	50	20	DDGD	
CO[C@H](CNC(=O)NNc1ccc(Cl)nn1)C(F)(F)F	733354905	GZDBOZAHBCRTBB-RXMQYKEDSA-N	313.667	1.333	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NCC1CCCCCC1	838667456	DKCRXGBKSXPEHD-GFCCVEGCSA-N	315.414	1.339	50	20	DDGD	
C#CC1CCN(CC(=O)NNC(=O)Cc2ccccc2C)CC1	830343014	JKKUQXZVPCGUJU-UHFFFAOYSA-N	313.401	1.030	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)OCC(=O)NCCC(C)(C)C)cn1	837970072	XPMYUGPSFMGHCN-QPEQYQDCSA-N	318.377	1.423	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@H](C)C#N)ccc1OC(C)C	735840616	KOZYIBHOQNLFLA-SNVBAGLBSA-N	305.334	1.403	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1CC(c2cc(C)ccc2C)=NO1	907253557	VORDAPPSATVNLO-AWEZNQCLSA-N	318.377	1.489	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)[C@@H]1CCCN1C1CCCC1	833246704	PVRQWKMBWPDZCS-UONOGXRCSA-N	309.410	1.110	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)COc1cc(C)cc(C)c1	834922967	RSYBSUCYVHUNPG-UHFFFAOYSA-N	315.377	1.752	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNc1ccccc1S(C)(=O)=O	732304778	UCLHHRQMRUNEQN-LBPRGKRZSA-N	311.407	1.018	50	20	DDGD	
CCN1C[C@H](NC(=O)[C@H](Br)C(C)(C)C)CC1=O	836849533	JFOZKICPVHPWAK-SCZZXKLOSA-N	305.216	1.533	50	20	DDGD	
CC(C)c1ccccc1CNCc1ccc(B(O)O)cc1F	585036564	IXVZCYMSEWUIJB-UHFFFAOYSA-N	301.170	1.919	50	20	DDGD	
O=C(Cc1nc(-c2ccccc2)cs1)NNC(=O)C(F)F	908371317	YSQGBQFJJKTYAN-UHFFFAOYSA-N	311.313	1.765	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1ccccc1OCC(=O)O	833384638	LBQYJGWCARKGOF-UHFFFAOYSA-N	314.301	1.094	50	20	DDGD	
CN(CC(=O)NNc1ccccc1Br)C(=O)O	833692636	SQGFQJYTMPKBSN-UHFFFAOYSA-N	302.128	1.502	50	20	DDGD	
CC[C@](C)(CNC(=O)NNC(=O)c1ccc(C#N)cc1)OC	836266456	XIRGRNLFNAFWBL-OAHLLOKOSA-N	304.350	1.317	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H](C)Cc2cnn(C)c2)n1	836630572	XNXSOQVMNBFTRK-NSHDSACASA-N	303.370	1.084	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)O	830559183	IDVSYKMJOUPUFZ-ZDUSSCGKSA-N	321.377	1.367	50	20	DDGD	
COC(=O)[C@@H](C)CNS(=O)(=O)c1ccc(CCl)cc1	914255253	ZFRCXFPMKYDIEN-VIFPVBQESA-N	305.783	1.513	50	20	DDGD	
COC(=O)N1CCC(C(=O)NNc2cccc(F)c2F)CC1	830831734	SRKQCOZSUKFXRV-UHFFFAOYSA-N	313.304	1.886	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccncc2)c(C2CC2)n1	836737452	RLWXJMSSVIJDCO-UHFFFAOYSA-N	310.357	1.666	50	20	DDGD	
O=C(CN1CCCNC1=O)NNc1cccc(Cl)c1Cl	838341652	JEWQURQMEXFJSK-UHFFFAOYSA-N	317.176	1.852	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc(C#N)cc1Cl	831566474	RCIMZAOAMJEQHB-PSASIEDQSA-N	322.752	1.789	50	20	DDGD	
O=C(Cc1noc2ccccc12)NNC(=O)CC(F)(F)F	918703542	BMOSVHHWGQETGV-UHFFFAOYSA-N	301.224	1.470	50	20	DDGD	
Cc1cc(-n2cncn2)ccc1C(=O)NNC(=O)c1ccccn1	742031884	RPYDZFWVKBXRDH-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@]1(Cl)C[C@H]2CC[C@H]1O2	912100268	BKBDVHSXQCURGQ-BREBYQMCSA-N	317.842	1.211	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1	843644244	KIRSOEFNMZOVSP-NAKRPEOUSA-N	322.327	1.928	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1ccc2c(c1)CNCCO2	841332809	UGBRQTXBYYGYJT-UHFFFAOYSA-N	320.393	1.758	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)CC(F)(F)F)N1CCCC[C@H]1C	918064198	BTKFOVZYQWSDGV-ZJUUUORDSA-N	324.347	1.532	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1csnn1	917918731	BOLYWTBLMNHIQE-UHFFFAOYSA-N	301.331	1.023	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCOC[C@@H]2CCCO2)cc1	915619429	FBPALPLLRJGPAE-HNNXBMFYSA-N	320.389	1.596	50	20	DDGD	
Cn1cc(C=NNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)nn1	844628430	NMKZSPFMRKCBBN-CABCVRRESA-N	313.361	1.433	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1scnc1C(F)(F)F	847392508	YGARTGACPKBNQC-UHFFFAOYSA-N	310.301	1.906	50	20	DDGD	
O=C(NCCCn1cncn1)NNc1ccc(Cl)c(F)c1	746745435	WCRVFSIAJZTWEI-UHFFFAOYSA-N	312.736	1.787	50	20	DDGD	
CO[C@@H](C=NNC(=O)COc1ccc(F)cc1)[C@@H]1CCOC1	841613141	SVSXGKGKVZKOBP-RISCZKNCSA-N	310.325	1.358	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CC[C@@H](CN)C2)c1F	842012087	XBBPCIQDHNTAQF-NXEZZACHSA-N	324.356	1.366	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1C	843639835	KCJKWSVMZQRYED-MNOVXSKESA-N	307.350	1.020	50	20	DDGD	
COCC(=O)NN=Cc1cc(Br)c(OC)s1	746578845	RSPWYPASJGSQHE-UHFFFAOYSA-N	307.169	1.616	50	20	DDGD	
O=C(NNc1ccc(Br)cc1F)[C@H]1COCCO1	748203062	IXICQUYVUVWQHH-SNVBAGLBSA-N	319.130	1.447	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H](C)c2cnn(C)c2)cc1	749866035	CRAONFLJQWQBNZ-GFCCVEGCSA-N	316.361	1.058	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NNc1cc(Cl)nc(C)n1	841471331	LMUWZZIQUIGVAX-SNVBAGLBSA-N	311.773	1.283	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccnc(C3CC3)n2)n1	746623671	NZRDFAKYHMFQGH-UHFFFAOYSA-N	300.322	1.218	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H]2CCCSC2)cc1	846375751	JGJDQBAAIDXVQC-GFCCVEGCSA-N	308.403	1.988	50	20	DDGD	
O=C(NN=Cc1ccc([N+](=O)[O-])c(O)c1)c1ccc(O)cc1	748132601	WNBJCRYPNXYMKN-UHFFFAOYSA-N	301.258	1.770	50	20	DDGD	
Cn1nc(C2CC2)cc1CNC(=O)NNc1ccc(Cl)nn1	927612729	HPGDNASMEIVWIW-UHFFFAOYSA-N	321.772	1.567	50	20	DDGD	
CCCC[C@@H](CN)NC(=O)NNC(=O)CCOc1ccccc1	841958760	SHKKYCVLVVUNHR-ZDUSSCGKSA-N	322.409	1.303	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)NC3CC4(CCC4)C3)nc21	845725608	WONOSVYRUWFDSH-UHFFFAOYSA-N	317.353	1.028	50	20	DDGD	
CC(=NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1ccc(C(=O)O)cc1	844613611	BGVRBQJIVNXZAX-MGPQQGTHSA-N	302.330	1.793	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@](C)(O)c1ccccc1)C1CC1	855095857	QDTBJEKIHIHPBK-BONVTDFDSA-N	307.419	1.188	50	20	DDGD	
CC(C)(C)CCS(=O)(=O)NNC(=O)c1cccc(F)n1	853051322	KPICAVCIPPSCNS-UHFFFAOYSA-N	303.359	1.221	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cn[nH]c1)c1ccc(N(C)C)cc1	858368742	NSMDTOUVNJMFFV-JTQLQIEISA-N	316.365	1.181	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(C)CC(=O)Nc1cc(C)ccn1	855375912	SRZMDHRSFLNDFI-ZRDIBKRKSA-N	302.334	1.231	50	20	DDGD	
CC(C)Cc1ncc(C(=O)NNC(=O)c2cccn2C)s1	929433736	CDDMHDKURYFZQI-UHFFFAOYSA-N	306.391	1.755	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C)c1ncc[nH]1	853377265	KYJRRSHEIJRUGH-DGCLKSJQSA-N	316.365	1.151	50	20	DDGD	
C#CCN1CCC[C@H](NC(=O)NNc2ccc(F)c(F)c2)C1	924034178	BDSOQWDCICHHRJ-LBPRGKRZSA-N	308.332	1.689	50	20	DDGD	
O=C(NCCCCn1ccnc1)NNc1ncc(Cl)cn1	856845831	UQYMCJOBQKVRKZ-UHFFFAOYSA-N	309.761	1.433	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccc(Cl)cc1	854148047	DSURBUKGIBQJEP-VXGBXAGGSA-N	318.764	1.638	50	20	DDGD	
O=C(NCC(=O)OCc1ccccc1)NNC(=O)C1CCCC1	753334415	GZGGBYINASEWFY-UHFFFAOYSA-N	319.361	1.250	50	20	DDGD	
CC1CC(C#N)(C(=O)NNC(=O)c2cc3c(s2)CCC3)C1	758152206	PHBPJZZHHNIPFG-UHFFFAOYSA-N	303.387	1.938	50	20	DDGD	
CCC(C#N)(CC)C(=O)NNC(=O)NCCc1cccs1	858781818	MGXZAVCMAQXESE-UHFFFAOYSA-N	308.407	1.951	50	20	DDGD	
C[C@H](NC(=O)NC[C@]1(C)C[C@@H]1Br)[C@H]1CCCNC1	857103823	FOEBPFBTBDYLGA-ZPFDUUQYSA-N	318.259	1.847	50	20	DDGD	
CNC(=S)N(C)NC(=O)COc1ccc(Cl)c(Cl)c1	854925650	JFRYDUITPDTHNE-UHFFFAOYSA-N	322.217	1.840	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H](C)Cc2cc(C)[nH]n2)c1	858304480	BULSGEJTOWIROV-SECBINFHSA-N	321.406	1.663	50	20	DDGD	
CC1=NO[C@@H](C(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)C1	854240573	MOJMRAAMECNQIK-GZMMTYOYSA-N	321.402	1.799	50	20	DDGD	
CCOc1ccc(NNC(=O)C(=O)Nc2ccn(CC)n2)cc1	850458924	WZRIMNBBLNNQQN-UHFFFAOYSA-N	317.349	1.384	50	20	DDGD	
Cn1c(C(=O)NNc2cc(C(F)(F)F)ccn2)cccc1=O	857514048	PXAPSIKHZYRPLI-UHFFFAOYSA-N	312.251	1.556	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)NCCc2cccs2)n1	752515015	MVLHJEAHHPKGHD-UHFFFAOYSA-N	320.374	1.338	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)c2cnco2)o1	758679568	QATMDIDWNJJFPV-UHFFFAOYSA-N	306.322	1.184	50	20	DDGD	
CN1CCC[C@H](NC(=O)NC[C@]2(C)C[C@@H]2Br)C1=O	856840259	OTBRCLIJGAFJMK-AUTRQRHGSA-N	318.215	1.080	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)[C@H]2CCCc3ccccc32)nn1	757401051	BOOVMJDGBFDMTK-LBPRGKRZSA-N	311.345	1.139	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Cc1ccn(-c2ccccc2)n1	757381695	HFZUIUIUDAGFDQ-UHFFFAOYSA-N	314.389	1.998	50	20	DDGD	
C[C@H]1CC[C@H](CC(=O)OCC(=O)NNC(=O)c2cccs2)C1	759415422	AZKIJAZLKIANDN-QWRGUYRKSA-N	324.402	1.879	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNC(=O)c1cc(C)cs1	862477194	INJATDGCRMHFRX-SNVBAGLBSA-N	300.380	1.259	50	20	DDGD	
CC(C)C[C@@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1	862454467	GRCABTZTQSKPFK-KGLIPLIRSA-N	317.389	1.242	50	20	DDGD	
CC(C)(C)OC(=O)Nc1ccc(C(=O)NNc2nc[nH]n2)cn1	863916264	CGLCKOCDTIBOIO-UHFFFAOYSA-N	319.325	1.304	50	20	DDGD	
CSCc1noc(CCC(=O)NN=c2cc[nH]c(C)c2)n1	862514706	ULOBGOKALVQDNW-UHFFFAOYSA-N	307.379	1.134	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H](C)CNC(=O)OC(C)(C)C)cc[nH]1	862513089	ACNGFVVRCUEDQK-JTQLQIEISA-N	308.382	1.416	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)CCCc2ccccc2)CCO1	769715332	PVVPTWRGLDIAJD-UKRRQHHQSA-N	319.405	1.907	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NNCC(F)(F)C(F)(F)F	863098328	DIIHKHRYXNKLKJ-RNFRBKRXSA-N	302.243	1.810	50	20	DDGD	
Cc1cc(C(=O)NNc2nc3ccccc3c(=O)n2C)c(C)nn1	767478792	VSRXPNFQNLQAPZ-UHFFFAOYSA-N	324.344	1.097	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C[C@H]1CCC[C@@H](C(F)(F)F)C1	863184331	WYJULKMOBBURNY-DTWKUNHWSA-N	314.329	1.502	50	20	DDGD	
COCc1ccccc1/C=C(/C)C=NNC(=O)[C@@H]1CCC(=O)N1	863150666	YQIHXIGJNSGDKP-FHBCVSGVSA-N	315.373	1.617	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(-n2nccc2C)cc1	764471407	UDWMLSURBPSOSW-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
C[C@@H](NNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C(F)(F)F	862322993	OAOAWYSODGVOEL-HZGVNTEJSA-N	307.228	1.200	50	20	DDGD	
CCc1cnccc1C(C)=NNC(=O)C(=O)Nc1ccccn1	765584315	OYJVOJOQBCERLH-UHFFFAOYSA-N	311.345	1.518	50	20	DDGD	
O=C(NNc1ccncn1)c1c(C(F)F)nc2n1CCCC2	868646131	LDEZZQMSGYLUQS-UHFFFAOYSA-N	308.292	1.704	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1cc(F)c(N(C)C)cc1F	863122807	NIPOKNNTOJBKIR-MWLCHTKSSA-N	311.332	1.906	50	20	DDGD	
CCC/C(C)=C\C(=O)NNc1nccc(N2CCOCC2)n1	762862557	VUYKFLUSZWUENX-QXMHVHEDSA-N	305.382	1.503	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc(C(=O)NC2CC2)cc1)C(F)(F)F	862315304	UCHFLVLRGVFOKA-MRVPVSSYSA-N	315.295	1.764	50	20	DDGD	
COc1cc(C=NNC(=O)Cc2cc(C)[nH]n2)cc(Cl)c1O	767403116	GJFCBBSPRWMKOC-UHFFFAOYSA-N	322.752	1.779	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(NC(C)=O)c(F)c2)nc1	765538864	XQQSSNHAJABBAR-UHFFFAOYSA-N	318.308	1.945	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H]2CCc3ncncc3C2)c1	862480570	YBISVHYJPZNAIX-SNVBAGLBSA-N	316.386	1.413	50	20	DDGD	
C[C@]1(CNC(=O)N2C[C@H]3CC[C@H]2[C@@H](O)C3)C[C@@H]1Br	1119299561	TUMZBNHQKKOTMB-CCJOIDDDSA-N	317.227	1.715	50	20	DDGD	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)NNC(=O)C(C)(C)O	768245790	YHBZGZNZGLLEJE-MRVPVSSYSA-N	316.810	1.739	50	20	DDGD	
C[C@]1(CNC(=O)CC2(C(=O)O)CCC2)C[C@H]1Br	872883379	NVHPNJRYEHXHDH-LDYMZIIASA-N	304.184	1.921	50	20	DDGD	
CCn1c(SC/C=C/C#N)nc2cc(S(N)(=O)=O)ccc21	763296927	BDNVSXHAFAYNKI-ONEGZZNKSA-N	322.415	1.875	50	20	DDGD	
CC(=O)OCCc1cccc(NC(=O)NNC(=O)CC2CC2)c1	764709101	SMYJYRVVVHGNPJ-UHFFFAOYSA-N	319.361	1.745	50	20	DDGD	
Cc1c(Cl)cccc1C=NNC(=O)[C@H](C)NS(C)(=O)=O	872351165	QVRFCTNUMWFCLF-VIFPVBQESA-N	317.798	1.036	50	20	DDGD	
Cn1cc(C=NNC(=O)c2cnccn2)c(-c2cccs2)n1	769569323	HGTORGLFDIRIRY-UHFFFAOYSA-N	312.358	1.703	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H](C)S[C@H](C)C(=O)O)cc1	872832277	YYMRVBKHQFDLLS-NXEZZACHSA-N	324.402	1.605	50	20	DDGD	
COCCOc1cc(C(=O)NNC(=O)C2CCCC2)ccn1	776809128	DHKZWSPZEGLQAK-UHFFFAOYSA-N	307.350	1.058	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2ccc(C#N)cn2)c1	776527999	NATWPYPFTBBIBO-UHFFFAOYSA-N	316.342	1.114	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NN=c2cc[nH]c(C)c2)[C@]12CCCO2	875489944	PVSDRPMDWNGELF-SQWLQELKSA-N	320.393	1.165	50	20	DDGD	
COc1ccc(CCC=NNC(=O)CN2CCCC2=O)c(C)c1	777430292	QMEVOPJGUYPMMX-UHFFFAOYSA-N	317.389	1.661	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNc1ccc(Br)nc1	771383987	LNMRFTJPOJITPE-CBAPKCEASA-N	300.156	1.712	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1cscc1Cl	873805090	UXUGDCCWRRAIKF-UHFFFAOYSA-N	317.798	1.924	50	20	DDGD	
CCOCCC1(CNC(=O)NN(C)C(=O)OC)CCCC1	875378711	AVJYZCUFWNWYBI-UHFFFAOYSA-N	301.387	1.886	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C2=CCOCC2)c(C)c1	873759222	LJMNGRQJYSSMGV-UHFFFAOYSA-N	305.403	1.968	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(OC)c2ncccc12	878471170	HIRBYDBHXIVFGM-UHFFFAOYSA-N	304.350	1.858	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=Cc2cccc3nccn23)cc1	771090172	TUTZQWFQQJUCAN-UHFFFAOYSA-N	319.324	1.735	50	20	DDGD	
CCOC(=O)N1CC[C@@H](NC(=O)NNc2cccc(C#N)c2)C1	771378995	HRFBWGDACSUGRD-CYBMUJFWSA-N	317.349	1.415	50	20	DDGD	
O=C(NNc1ccc(F)cc1)N[C@@H]1CCO[C@]2(CCOC2)C1	771442976	NVTGMXUVXBHKCO-UKRRQHHQSA-N	309.341	1.790	50	20	DDGD	
O=C(NNc1ccccn1)[C@@H]1CCCN(Cc2cccnc2)C1	777471660	VYFJAISJGKZMBA-OAHLLOKOSA-N	311.389	1.832	50	20	DDGD	
COC(=O)CNC(=O)NN=C1C[C@H]2CCCc3cccc1c32	779820489	BNVIDAYRDURTPK-LLVKDONJSA-N	301.346	1.687	50	20	DDGD	
Cc1ccc(O[C@@H](C)C(=O)NNC(=O)C2CCOCC2)cc1	883058828	CPTLMIMRZYPRDL-LBPRGKRZSA-N	306.362	1.336	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CC[C@H](C)SC)c1O	773294019	WWYOKSQMPDSKTH-VIFPVBQESA-N	312.391	1.694	50	20	DDGD	
C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NNC(=O)c1cccnn1	883852995	ZYTLBAHSIIJWCD-RYUDHWBXSA-N	319.409	1.978	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCc1cccc(OCC)c1	887151665	GIAWEMLPQCQROP-UHFFFAOYSA-N	302.374	1.969	50	20	DDGD	
O=C(NC[C@]12COCCN1C(=O)OC2)C1CCC(Cl)CC1	1123846508	FPKXFFRYMOJDRJ-QIMFLAQGSA-N	316.785	1.121	50	20	DDGD	
COc1cccc(C2(C(=O)NNc3nc[nH]n3)CCCC2)c1	880017870	HPZBVQVIOURSHL-UHFFFAOYSA-N	301.350	1.768	50	20	DDGD	
O=S(=O)(CCCCl)NCc1ccc(-n2cncn2)cc1	881791072	BIJCWUVGYMISBB-UHFFFAOYSA-N	314.798	1.316	50	20	DDGD	
COC[C@H]1COCCN1C(=O)[C@@H](Br)C(C)(C)C	886866081	BJVRTDRIDJRNOK-VHSXEESVSA-N	308.216	1.670	50	20	DDGD	
N#CC1=CCN(C(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)CC1	780689285	WVLIQVITHBEZRO-INIZCTEOSA-N	324.384	1.616	50	20	DDGD	
C[C@H]1C[C@H](C)CCC1=NNC(=O)Cc1cc(O)nc(S)n1	783822820	XQRNGOHVRXITPM-BDAKNGLRSA-N	308.407	1.942	50	20	DDGD	
CC(=O)NNC(=O)Nc1cc(-c2ccc(F)cc2F)nn1C	788712293	DVWDKLQKTQFMNW-UHFFFAOYSA-N	309.276	1.538	50	20	DDGD	
COCC1(C)CCN(S(=O)(=O)CBr)CC1	782477586	ZBFHLLBDECGPQT-UHFFFAOYSA-N	300.218	1.417	50	20	DDGD	
Nc1cccc([N+](=O)[O-])c1C(=O)NNc1ncncc1Cl	781834015	SZBFLKROLLHAEX-UHFFFAOYSA-N	308.685	1.377	50	20	DDGD	
Cn1nccc1COCC(=O)OC[C@]1(C)C[C@@H]1Br	1123040553	UBJJULIEEZLAEN-JQWIXIFHSA-N	317.183	1.653	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ccccn2)c(OC)c1	784796790	OYHYCJADAFWKAS-UHFFFAOYSA-N	316.317	1.181	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@H]1CCCN(C(=O)C2CC2)C1	781818723	HTJFOSXMTTWILU-JTQLQIEISA-N	323.784	1.222	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1cnn(Cc2ccc(F)cc2)c1	785462728	QOYXKLHKCZQUCX-UHFFFAOYSA-N	304.325	1.292	50	20	DDGD	
NC(=O)[C@H]1CCC[C@@H](C(=O)NNc2cnc3ccccc3n2)C1	787272271	YQFOKCBLGPASPV-WDEREUQCSA-N	313.361	1.365	50	20	DDGD	
C=CCC(CC=C)C(=O)NNc1ccccc1S(N)(=O)=O	788229534	YKSHRKFCBOTORF-UHFFFAOYSA-N	309.391	1.546	50	20	DDGD	
Cc1cc(C(=O)OCC(=O)NNC(=O)c2ccccc2)co1	781377212	ALUDRVIUCHKEMB-UHFFFAOYSA-N	302.286	1.206	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@H]2CCN(C(C)C)C2)n1	780028064	YXCANNFXCMALSY-GFCCVEGCSA-N	307.398	1.447	50	20	DDGD	
Cc1cc(NNC(=O)Cc2ccn(CC(F)(F)F)n2)ncn1	894966408	RVFFNYGQPSOVIJ-UHFFFAOYSA-N	314.271	1.230	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCc1c(C)nn(CCC#N)c1C	780711561	MHRJADIHWFXTFS-UHFFFAOYSA-N	320.397	1.039	50	20	DDGD	
CCS[C@@H]1CCCC[C@H]1NCC(=O)NNC(=O)C(C)(C)C	787304737	GTFDQSZDGLZWAT-VXGBXAGGSA-N	315.483	1.834	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2CCC(=O)c3cccn32)n1	789973630	KPMZRCSMPWBHQP-NSHDSACASA-N	315.333	1.256	50	20	DDGD	
C/C(=C(\F)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C1CC1	899936780	HCPAXZREOIMSDX-FYQHACEVSA-N	320.320	1.627	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COCC2CC2)c2ccccc2n1	799010586	JQFCBEBYNCSZJL-UHFFFAOYSA-N	313.357	1.731	50	20	DDGD	
C=C[C@@H](NNC(=O)[C@@H](C)Oc1cccc(Cl)c1)C(=O)OC	799980860	QJFFUKZWIPMYJR-BXKDBHETSA-N	312.753	1.456	50	20	DDGD	
CN(C)c1nccc(NNC(=O)CCCC2CCOCC2)n1	799100541	VACYHPSTSNLSQQ-UHFFFAOYSA-N	307.398	1.583	50	20	DDGD	
O=C1CC[C@@H]2[C@H]1[C@@H]2C(=O)NNc1ccc(-c2ccccc2)nn1	896283715	SFTDGURRQUTDLS-HFBAOOFYSA-N	308.341	1.812	50	20	DDGD	
C=CCCOCCCCC(=O)NNc1nc2ccccn2n1	791259276	NDBNLNQJWPGJDS-UHFFFAOYSA-N	303.366	1.935	50	20	DDGD	
C[S@](=O)C1(CNC(=O)NNC(=O)CC(C)(C)C)CCC1	798104639	AKZHRSCQUZFNCE-FQEVSTJZSA-N	303.428	1.054	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cc(=O)c(OC)co1	798990604	YJEJSIXJOUXCTA-UHFFFAOYSA-N	318.285	1.192	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC(F)(F)F)cc1C#N	799411220	AZCSNPNJLPNCNM-UHFFFAOYSA-N	300.240	1.373	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C(C)(C)C(F)F)nc1C	792302292	XCZMJTMJKMJQNY-UHFFFAOYSA-N	316.308	1.696	50	20	DDGD	
O=C(CC1OCCO1)NNc1ccc(Cl)cc1[N+](=O)[O-]	793084574	JBAUQMOASUYYJT-UHFFFAOYSA-N	301.686	1.454	50	20	DDGD	
Cn1nccc1COCC(=O)NNc1c(F)cccc1Cl	790962602	JTRBUUZTAKXOBT-UHFFFAOYSA-N	312.732	1.873	50	20	DDGD	
COC(=O)[C@@H]1[C@H]2CN(/C(=C/C#N)c3cccc([N+](=O)[O-])c3)C[C@H]21	794971018	PEUNMZSDIMVWEJ-SZBQSEAOSA-N	313.313	1.810	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNC(=O)c1cc(Br)c[nH]1	794620348	HTNDTFASYCCUMP-LLVKDONJSA-N	313.155	1.478	50	20	DDGD	
COc1cc(C)cnc1C(=O)NNC(=O)Cc1ccccc1F	792593275	HFKZUFCAGVXMTF-UHFFFAOYSA-N	317.320	1.541	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C[C@H](CC#N)c1ccccc1	793455418	GKVPKVOCMVYJRS-ZDUSSCGKSA-N	311.345	1.567	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@@H]1CCCCC12OCCO2	715706590	NBIUOZLUYBDTCD-LLVKDONJSA-N	311.831	1.611	50	20	DDGD	
COc1ccnc(NNC(=O)c2cccc(-n3ccc(C)n3)c2)n1	1318091403	BXEVUZWVAZHLAK-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
Cc1nnc(CN(C)C(=O)/C(C#N)=C/c2cnn(C)c2)s1	1328444024	IBGWDYFGRIYLLJ-NYYWCZLTSA-N	302.363	1.146	50	20	DDGD	
O=C(NNC(=S)Nc1ccsc1)c1n[nH]c2c1CCCC2	1321828941	NZOOVRMHERILHF-UHFFFAOYSA-N	321.431	1.981	50	20	DDGD	
CCOC1(C(=O)NNC(=O)c2ccc(OC)cc2)CCOCC1	1327642982	NDCYBHSFXXESKS-UHFFFAOYSA-N	322.361	1.042	50	20	DDGD	
O=C(C[C@@H]1CCC(=O)N1)NNc1nc2ccccc2[nH]c1=S	1329062732	QAVXHAHGSCFKBA-QMMMGPOBSA-N	317.374	1.404	50	20	DDGD	
CC(C)C1CCC(NC(=O)NNC(=O)C2CCNCC2)CC1	1325366320	LBANIHIEFGMMDF-UHFFFAOYSA-N	310.442	1.531	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(C(C)(C)C)nn1)[C@H]1CCOC1	1321312691	KGHKTSVOKJETOS-MNOVXSKESA-N	307.398	1.825	50	20	DDGD	
COCC[C@@H](C)CNC(=O)NNC(=O)c1ccccc1Cl	1325231413	NSUHVSLKQYCWSV-SNVBAGLBSA-N	313.785	1.957	50	20	DDGD	
C[C@H](C(=O)NNc1ccn(C)n1)[C@@H]1OCCc2sccc21	1331512754	IEPJUXNTYAZIQD-ZANVPECISA-N	306.391	1.875	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42	1339599244	IRKJXZUASVGNPA-UVDRMBIFSA-N	305.447	1.284	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)NC1(C(F)(F)F)CCC1	1330700009	JEPTVFYIUAKBDA-UHFFFAOYSA-N	309.288	1.228	50	20	DDGD	
C[C@@]1(CNC(=O)CCSCCCN)C[C@H]1Br	1263164296	QMPGNBORZURFJP-KOLCDFICSA-N	309.273	1.748	50	20	DDGD	
COC(=O)c1ccccc1C(=O)NNC(=O)CC(F)(F)F	1358322222	YQIUINUUKXBUBL-UHFFFAOYSA-N	304.224	1.187	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1ccc(C(=O)O)c(F)c1)C(C)C	1603035436	WVJYNOBUJICJDL-LBPRGKRZSA-N	311.313	1.128	50	20	DDGD	
N#Cc1ccc(NNC(=O)Nc2cccc(-c3nn[nH]n3)n2)cc1	1606377900	XIGANSAVRSAKTE-UHFFFAOYSA-N	321.304	1.282	50	20	DDGD	
O=C(O)c1ccc(Cl)c(C(=O)NNc2ncncc2F)c1	1602356123	NHIHNLSHKYETIZ-UHFFFAOYSA-N	310.672	1.724	50	20	DDGD	
Cc1oc(C(=O)O)cc1C(=O)NNc1ncccc1[N+](=O)[O-]	1608034406	ZGAVQVUHRKXHLM-UHFFFAOYSA-N	306.234	1.346	50	20	DDGD	
O=C(NC[C@H]1CCCCO1)NNc1ccc(F)c(C(=O)O)c1	1601482673	OZOVFFVRJOVPKL-SNVBAGLBSA-N	311.313	1.719	50	20	DDGD	
O=C(NNC(=O)c1ccsc1C(=O)O)c1cccc(F)n1	1601555797	OXTCDIONDHSWBP-UHFFFAOYSA-N	309.278	1.055	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccc3nonc3c2)c(F)c1	1608904977	SGAGLCMIWZMYLM-UHFFFAOYSA-N	316.248	1.817	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H](C(=O)NNc2cc(F)c(F)cc2F)O1	1602177177	VCGFMMDNMMDAOW-ZJUUUORDSA-N	304.224	1.179	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNc1ccc(C(=O)O)cc1F	1605868831	YWMCGBCETZQGMA-UHFFFAOYSA-N	318.308	1.942	50	20	DDGD	
COC[C@@H](NC(=O)NNc1cccc(C(=O)O)c1)[C@@H]1CCCO1	1606806889	BWYQIXQLOYXLTB-OLZOCXBDSA-N	323.349	1.205	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Cc1cccc(C(=O)O)c1	1600565927	PGTJCGNFZZFEQJ-UHFFFAOYSA-N	312.325	1.697	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccc(C(=O)O)o1)c1ccccc1	1604870035	VCTPKGHWORROFR-NSHDSACASA-N	316.313	1.933	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2cccc(C(=O)O)c2)cc1	1600441682	LYVPLAXQKNNTCL-UHFFFAOYSA-N	313.313	1.775	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1cc(Br)cs1	1609553110	GGIUMRDIWJQFGE-UHFFFAOYSA-N	320.168	1.618	50	20	DDGD	
C[C@]1(C(=O)NNc2ccc(-c3nn[nH]n3)c(Cl)c2)CCCO1	1603748029	FANPGGXGWBPONB-CYBMUJFWSA-N	322.756	1.532	50	20	DDGD	
CN(NC(=O)[C@@H](C(=O)O)C1CCCC1)C(=O)OC(C)(C)C	1604195602	RWWMBEKSCHTITP-JTQLQIEISA-N	300.355	1.776	50	20	DDGD	
CN(C)N(C(=O)c1ccsn1)c1nc(CC(=O)O)cs1	1606037223	NXHKLVQRNQBGJN-UHFFFAOYSA-N	312.376	1.350	50	20	DDGD	
COc1ccc(NCC(=O)NN=C2CC[C@H](C(=O)O)C2)cc1	1607276454	XPASPVODYAGCNB-JTQLQIEISA-N	305.334	1.464	50	20	DDGD	
O=C(NNC(=O)C12CCC(C(=O)O)(CC1)C2)c1ccccc1	1610699761	CSQKCINAQIULBL-UHFFFAOYSA-N	302.330	1.483	50	20	DDGD	
CO[C@H]1CCCC[C@@H]1NC(=O)NNc1cccc(C(=O)O)c1	1610276742	XOMGFEVTYYELJD-STQMWFEESA-N	307.350	1.969	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc2c(nc3ccccn32)s1	1548721129	UQBTVSHDQCFGLM-SECBINFHSA-N	304.375	1.506	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2C[C@H]3CC[C@H]2NC3)c1F	1578878526	ZXWQJPCPJLUHQT-ADEWGFFLSA-N	321.352	1.444	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C[C@@H]1CNC[C@H]1C	1575847276	HVEWKIVALPSULF-NXEZZACHSA-N	311.817	1.942	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2cccc(N)c2)c1	1578877840	LUVVYOXPECDHDV-UHFFFAOYSA-N	314.345	1.882	50	20	DDGD	
CC(C)[C@H](N)C(=O)NNC(=S)Nc1cccc(Cl)c1	1575835436	UJGAXQLBJRHJCC-JTQLQIEISA-N	300.815	1.641	50	20	DDGD	
C[Si](C)(C)OCC(=O)N1CCCC12CN(C(=O)C1CCC1)C2	1844377768	PKYZTDQXNWLMHM-UHFFFAOYSA-N	324.497	1.841	50	20	DDGD	
O=C(/C=C\[C@@H]1CCCO1)NNc1cccc(-c2nn[nH]n2)c1	1592795250	POIVBGCCZVJKOK-DGMVEKRQSA-N	300.322	1.045	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCCCC(=O)O)c1ccccc1	1594736801	OLUMPRPIQJOLLL-ZDUSSCGKSA-N	306.362	1.973	50	20	DDGD	
O=C(NNC(=O)c1cscc1-c1nn[nH]n1)c1ccccc1	1593159647	TZVXCHNMUBABKZ-UHFFFAOYSA-N	314.330	1.003	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cc(C(=O)O)co2)c1	1598999469	HWFWJOQCQKMUOL-UHFFFAOYSA-N	304.258	1.521	50	20	DDGD	
O=C(O)/C=C\c1ccc(C=NNC(=O)c2ccccc2O)o1	1776017517	GSVBYHXNUICNGL-SQFLZHMZSA-N	300.270	1.847	50	20	DDGD	
Cc1ccc(C=NNC(=O)c2ccc(=O)n(C)c2)cc1C(=O)O	1776103457	KAWDSBJGKFCHKU-UHFFFAOYSA-N	313.313	1.156	50	20	DDGD	
O=C(NN=Cc1cccc(C(=O)O)c1Cl)c1ncccn1	1776081675	ZUVMKDPHNAQWKX-UHFFFAOYSA-N	304.693	1.592	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl)[C@H](F)Cl	1796808777	LBOCFGXWHIQHDH-QKAWAISNSA-N	315.147	1.693	50	20	DDGD	
CC(C)n1nc(C(=O)NNC(=O)C2CC2)c2ccccc2c1=O	17196741	HUQBEUZWDNCJMM-UHFFFAOYSA-N	314.345	1.148	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2cc(F)cc(F)c2)n1	151068315	JNKWXQJBUBUZHN-UHFFFAOYSA-N	323.303	1.631	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2(c3cccc(F)c3)CCC2)[nH]n1	151163207	XQMZLYZJIQNMSP-UHFFFAOYSA-N	316.336	1.740	50	20	DDGD	
N#Cc1cccc(NNC(=O)CN2C(=O)c3ccccc3C2=O)c1	152239243	RWLCPTJZRFNBCE-UHFFFAOYSA-N	320.308	1.298	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)c1cc2ccccc2o1)N(C)C	152877187	WWWQKPDOEZKFOA-CQSZACIVSA-N	303.362	1.780	50	20	DDGD	
COCCOc1ncccc1C(=O)NNc1ccc(C#N)cc1	155169280	VLYCHMFEDPKHBI-UHFFFAOYSA-N	312.329	1.735	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccccc1)Cc1ccsc1	7927021	WPKMRFOPZQBTHQ-UHFFFAOYSA-N	303.387	1.641	50	20	DDGD	
COc1ccc(CCNC(=O)NNc2ccc(C)nn2)cc1	106254634	KXSUOLRJPNIADO-UHFFFAOYSA-N	301.350	1.662	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1n[nH]c2ccccc12	8294810	WESBWIFHCOHICU-UHFFFAOYSA-N	312.304	1.706	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cc2cc(F)ccc2[nH]1	103456967	QPDUBXYVGDORCB-UHFFFAOYSA-N	312.304	1.706	50	20	DDGD	
CCCN(CC(=O)NNC(=O)C1CC1)Cc1ccc(C#N)cc1	112977025	MPNXSKFZOJLIOV-UHFFFAOYSA-N	314.389	1.328	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CC2(O)CCCC2)cc1C	118753446	XZBIHLUIMPTMHI-UHFFFAOYSA-N	320.389	1.525	50	20	DDGD	
O=C(Cc1ccc2c(c1)OCO2)NNc1nccnc1Cl	114894909	LVNVJBUWFWLTKO-UHFFFAOYSA-N	306.709	1.545	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)no1	112824034	TWYMJTAEGVSFKH-UHFFFAOYSA-N	311.301	1.244	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNC(=O)c2ccc(C)o2)c1	175831101	WTSKQQKRMYLKHO-UHFFFAOYSA-N	301.302	1.022	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccn(-c2ccc(F)cc2)n1	129648100	VMNHADFGVMPDPS-UHFFFAOYSA-N	319.340	1.756	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccnc(OCC(F)F)c1	120060241	QMNFLYDUFATDPL-UHFFFAOYSA-N	302.281	1.078	50	20	DDGD	
Cc1c(/C=C/C(=O)NNC(=S)N[C@@H](C)C2CC2)cnn1C	120640902	LZNBAMMUGBTMAM-UCUJLANTSA-N	307.423	1.036	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2CCCC3(CC3)C2)n1	186962177	AIUGXPYIWLLOBT-UHFFFAOYSA-N	322.434	1.017	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc(-c3ncn[nH]3)cc2)n1	184155205	ORXPLHJBMHZWJC-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
CCOCCC1(CNC(=O)NNc2cccc(OC)n2)CC1	181482618	MOOSAUYIBFDQHL-UHFFFAOYSA-N	308.382	1.923	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNc1ccc(C(F)(F)F)nn1	123760778	ACELNGFYYYBDEM-ZCFIWIBFSA-N	306.244	1.138	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccccc2-n2ccnn2)cc1	183708702	BDXGMVGELIXSTJ-UHFFFAOYSA-N	304.313	1.896	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)Nc1cccc(-n2cccc2)c1	184820088	KSWBOMGJGQSOLT-UHFFFAOYSA-N	324.344	1.596	50	20	DDGD	
O=C(CC[C@H]1CCCO1)NNC(=O)COCc1ccccc1	78193591	HYUJKKZSINMRLQ-CQSZACIVSA-N	306.362	1.310	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cnn(CC(C)C)c1	181093704	VSKFWGXQVZAXNZ-UHFFFAOYSA-N	316.361	1.623	50	20	DDGD	
O=C(NNc1ccccn1)Nc1cccnc1N1CCOCC1	180303361	LNRQRVZSBXHUEG-UHFFFAOYSA-N	314.349	1.462	50	20	DDGD	
CNC(=O)c1cccc(CCNC(=O)NNc2ccccc2)c1	77848727	YMXWYGZCUTZOHB-UHFFFAOYSA-N	312.373	1.915	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2ccc(C)s2)C1	73074944	UAXGCEKXAIMSFC-GHMZBOCLSA-N	324.402	1.797	50	20	DDGD	
CC(Cl)(Cl)C(=O)NNC(=O)CSc1ccccc1O	180568536	PIQVPHAHXPXKBQ-UHFFFAOYSA-N	323.201	1.826	50	20	DDGD	
COC(=O)NNC(=O)C1CCN(c2nc3ccccc3o2)CC1	193161691	WAMOHMMFTDQJCD-UHFFFAOYSA-N	318.333	1.431	50	20	DDGD	
C[C@@H](NC(=O)C(C)(C)C)C(=O)NNc1ncnc2ccsc12	132625100	CUOUFYVQBIXVOR-MRVPVSSYSA-N	321.406	1.685	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@H](c2ccco2)N(C)C)o1	84412443	JDILIXIHRHAMPI-LLVKDONJSA-N	320.349	1.428	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNC(=O)CCc2ccccc2)nn1	190870271	CSQHSCNUGDJVOC-UHFFFAOYSA-N	315.377	1.427	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)NC(=O)C2CCCC2)o1	84374225	PVIWDEJELGBYPG-JTQLQIEISA-N	307.350	1.044	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1csc(-c2ccccn2)n1	194510637	KFNLXZLUSIMMCN-UHFFFAOYSA-N	313.342	1.608	50	20	DDGD	
COc1ncccc1C(=O)NNC(=O)c1cccc(Cl)c1	192696560	IBJHIIQDWCBRSE-UHFFFAOYSA-N	305.721	1.818	50	20	DDGD	
CC1(CO)CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)CC1	194861501	OGSWTTFOUJBRBS-UVTDQMKNSA-N	300.358	1.920	50	20	DDGD	
O=C(CC(C1CC1)C1CC1)NNC(=O)c1n[nH]c2c1CCCC2	149979795	KZIVUAOZWLFXJD-UHFFFAOYSA-N	316.405	1.876	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc(OCC(F)F)nc1	90090957	NKJHISJAAXXTAO-UHFFFAOYSA-N	324.287	1.139	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(Br)nc1C	91189391	VWHOYQVFPNPUQG-UHFFFAOYSA-N	317.143	1.935	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccc(N)cc2)cc(OC)c1O	254311346	YUHBHXHESOJHKM-UHFFFAOYSA-N	315.329	1.756	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCCc1nnc2n1CCCCC2	269505823	YWLYMOGBKHRZGQ-OUKQBFOZSA-N	317.393	1.497	50	20	DDGD	
CC(C)(C)OC(=O)CCNC(=O)NNc1ccc(Cl)nn1	266465633	FESFMENMHXNOME-UHFFFAOYSA-N	315.761	1.488	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](NC(=O)c1ccco1)C(C)C	267646692	WXAZTESJDDDFTL-ZDUSSCGKSA-N	309.366	1.228	50	20	DDGD	
CS[C@@H](C)CNC(=O)NNC(=O)COc1ccc(F)cc1	269841125	BUYGBRYCAICWLA-VIFPVBQESA-N	315.370	1.286	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2CCC2)cc1OC(F)F	264659910	DDWNKIBHOZDCIE-UHFFFAOYSA-N	314.288	1.858	50	20	DDGD	
CC(C)Cn1ncc(C(=O)NNC(=O)N(C)C)c1C(F)F	270380453	YIODYQQGTUITQL-UHFFFAOYSA-N	303.313	1.393	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@H]2CCCCN2C2CC2)o1	277316585	CYUAAIBYNKHOOE-CYBMUJFWSA-N	320.393	1.549	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc(-n2ccnn2)cc1	273296517	AEQJENOFMZVBLS-UHFFFAOYSA-N	302.338	1.466	50	20	DDGD	
CN(C)C(=O)c1cccc(NC(=O)NNC(=O)CC2CC2)c1	273307851	HCAUKBYKMMNRKQ-UHFFFAOYSA-N	304.350	1.341	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1c(C)cc(C)cc1OC	277560604	ROTZQMPEFSQGDT-JTQLQIEISA-N	314.407	1.668	50	20	DDGD	
CCCNC(=O)c1ccc(NC(=O)NN(C)C(=O)NCC)cc1	277172533	UNXQRIZRZNXUQH-UHFFFAOYSA-N	321.381	1.524	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCc2sc(C)nc2C)n1	280950283	RMDWZPGBEFWJPD-UHFFFAOYSA-N	319.390	1.608	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCN3CCC[C@H]3C2)o1	375960078	HZYKKXGHCMLZTQ-NEPJUHHUSA-N	306.366	1.159	50	20	DDGD	
COCCN(C)NC(=O)c1cccc(-c2nnc(COC)o2)c1	288321203	DGDWOWSULDVVIZ-UHFFFAOYSA-N	320.349	1.106	50	20	DDGD	
Cc1onc(-c2cccnc2)c1C(=O)NNC(=O)C(C)(C)C	284991204	BMTFZGGSVBIRHJ-UHFFFAOYSA-N	302.334	1.852	50	20	DDGD	
COCC1(C(=O)NNc2ccc([N+](=O)[O-])cc2)CCOCC1	290454958	IWCIXSIJGKDORW-UHFFFAOYSA-N	309.322	1.481	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)C(F)(F)C1(O)CCCC1	807173736	NGQUEHWRAMLLNH-UHFFFAOYSA-N	310.304	1.946	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)CC(C)(C)C#N	292453706	YDCHWNNUSHMDSK-UHFFFAOYSA-N	324.406	1.320	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@@H]2CCc3ccccc3C2)O1	297649588	MHXDEOCKNNRMRP-GLQYFDAESA-N	317.389	1.442	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@](C)(OC)C2CC2)cc1	292360050	ORVZSNWHCOZCMN-QGZVFWFLSA-N	320.389	1.590	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CC2CC2)cc([N+](=O)[O-])c1OC	294191984	OYBWDLWEVSNXMH-UHFFFAOYSA-N	323.305	1.173	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)OC[C@@H]2CCCO2)s1	299376348	NVZBNWPCRPUWJR-MNOVXSKESA-N	312.391	1.402	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)c2c(C)nc3ccccn23)C1	805156740	HWXVZFQFPVYMRA-UHFFFAOYSA-N	316.361	1.219	50	20	DDGD	
O=C(NNc1cccnn1)[C@H]1CCCN(c2ccccc2)C1=O	293570858	VPPBBZIAUQQAJV-CYBMUJFWSA-N	311.345	1.363	50	20	DDGD	
CC(C)[C@@H](NC1CCOCC1)C(=O)NNc1cccc(F)n1	807748384	ISVADQUVHHEIML-CQSZACIVSA-N	310.373	1.457	50	20	DDGD	
N#CCSCC(=O)NNC(=O)Nc1cc(F)cc(F)c1	802001340	RYBYOIWUUAQHST-UHFFFAOYSA-N	300.290	1.374	50	20	DDGD	
CCc1c(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cnn1C(C)(C)C	294050288	YZUHJVAFQJYYAJ-GWCFXTLKSA-N	322.409	1.529	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1ccccc1	298438058	SSWPGMSOUBLYPF-AWEZNQCLSA-N	315.373	1.096	50	20	DDGD	
CN(C)c1ccc(CNC(=O)NNC(=O)[C@H]2CCCCO2)cc1	296380695	OWKUXYIPDFZOKF-CQSZACIVSA-N	320.393	1.152	50	20	DDGD	
CCC[C@@H](C)CC(=O)NNC(=O)[C@H]1COc2ccccc2O1	299508781	MDBBMYWHZTYMHO-BXUZGUMPSA-N	306.362	1.800	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)Cc2cc(O)nc(O)n2)c2ccccc21	807974582	LSRXDOPAXVKJMB-SECBINFHSA-N	312.329	1.458	50	20	DDGD	
C[C@@H](C(=O)NNc1ncc(F)cc1F)N1CCSCC1	296860527	GMLMWPKEJRMGNA-QMMMGPOBSA-N	302.350	1.240	50	20	DDGD	
COc1nnccc1NC(=O)NNc1ccccc1[N+](=O)[O-]	808902678	VIWGNYMOTBTDES-UHFFFAOYSA-N	304.266	1.542	50	20	DDGD	
CC[C@@H](C)CONC(=O)NNc1ccc(-n2cccn2)nn1	291684424	CQTFKDCDKQGRPK-SNVBAGLBSA-N	305.342	1.266	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccc2c(c1)OCCO2)C(C)(F)F	292960452	CSWBYXZXXFDVOU-QMMMGPOBSA-N	314.288	1.510	50	20	DDGD	
O=C(NNc1cccc(F)n1)C(=O)Nc1cccnc1Cl	807391300	LWRYVYQCURSPLU-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)cn1	802002182	IAXJVWIYDXZELG-UHFFFAOYSA-N	316.267	1.808	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1	806744220	UJCYVVAQCXNGNM-UHFFFAOYSA-N	322.296	1.042	50	20	DDGD	
CCOc1ccc(NNC(=O)C2(COC)CCOCC2)cc1	294362421	OBQFRVLFSLCSNI-UHFFFAOYSA-N	308.378	1.972	50	20	DDGD	
CN(NC(=O)c1ccc(-n2ccnn2)cc1)C(=O)OC(C)(C)C	297645383	MBRDJPXYZSDVOJ-UHFFFAOYSA-N	317.349	1.779	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)Cn1cnc2ccccc21	811632105	ZWSPPRPTJJLPID-LBPRGKRZSA-N	313.361	1.197	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)CNc1ccc(C)cc1	812456038	MTXIZRLHFJCJIW-CHWSQXEVSA-N	307.394	1.473	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCO[C@H](c2ccccc2)O1)c1ccc[nH]1	816824088	OTYGYILOMUPBBZ-BBRMVZONSA-N	315.329	1.280	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1cc(N)ccc1F	814762485	BNWDHACIFWHFKJ-NSHDSACASA-N	322.384	1.216	50	20	DDGD	
CC1(C)CN(/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1	817279472	PARYPXKZJGDHSP-FQNPWXFGSA-N	317.345	1.931	50	20	DDGD	
CN(NC(=O)[C@H]1CC(=O)N(c2c(F)cccc2F)C1)C1CC1	819650036	DRZSWMRQJQQTDA-VIFPVBQESA-N	309.316	1.443	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@H]1CCO[C@H](C)C1	819710274	DPHGOBAMWNUBKH-ZJUUUORDSA-N	310.325	1.871	50	20	DDGD	
Cc1oc(C(=O)N(C)CC(Cl)Cl)cc1S(N)(=O)=O	819850249	SZGBBKCWTSOKMT-UHFFFAOYSA-N	315.178	1.111	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)CC1(C(=O)O)CCC1	814854265	GNBZVACMYBJNAC-UHFFFAOYSA-N	311.382	1.428	50	20	DDGD	
C[C@]1(C(=O)NNc2ccc(S(C)(=O)=O)cc2)CC1(F)F	817551149	FUTYUQJZEKYDOQ-LLVKDONJSA-N	304.318	1.579	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1ccc(C2CC2)cc1	829763416	KXELXUFYDPJGMT-UHFFFAOYSA-N	311.407	1.857	50	20	DDGD	
O=C(NN=Cc1ccc(-c2nn[nH]n2)cc1F)c1cccnc1	823273172	GYCVLYREYXDUHL-UHFFFAOYSA-N	311.280	1.165	50	20	DDGD	
N#Cc1ccc(C(=O)NN=Cc2ccc(-c3nn[nH]n3)o2)cc1	822823659	XABVCGKTDAPFDG-UHFFFAOYSA-N	307.273	1.095	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(OC2CC2)cc1)C1CCCC1	829704248	GGJAOGAPICDNGP-UHFFFAOYSA-N	324.402	1.728	50	20	DDGD	
CN(CC(=O)NNc1ccc(OC(F)(F)F)cc1)C(=O)O	828115025	OMYXPSJUBXBDFN-UHFFFAOYSA-N	307.228	1.638	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F	823971405	SYCNOXYMKLZYAS-MRVPVSSYSA-N	322.331	1.614	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N[C@H]1CCCS(=O)(=O)C1	490874532	GPEDELYJTQLELG-UNJUUPHPSA-N	322.361	1.426	50	20	DDGD	
CC[C@H](Cc1cccc(C)c1)C(=O)NNC(=O)COCCOC	825135865	AMZUCONOTRNHMK-OAHLLOKOSA-N	322.405	1.374	50	20	DDGD	
O=C(C#Cc1ccccc1)NNc1ccc(-c2nn[nH]n2)cc1	826396544	CIGOHRUDEZFVEX-UHFFFAOYSA-N	304.313	1.362	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)cc1	822202770	OPXNDRBEOUUTJM-VNHYZAJKSA-N	302.374	1.957	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)N[C@H]1CCC1(C)C	495641995	RLQGOANJLCOVEG-VIFPVBQESA-N	314.386	1.030	50	20	DDGD	
CN1CCCC[C@H](C(=O)NNc2ccc3ccccc3n2)C1=O	821739553	YTUDLUZEWUWPMF-CYBMUJFWSA-N	312.373	1.936	50	20	DDGD	
CCn1cncc1C=NNC(=O)NCCNC(=O)OC(C)(C)C	496757377	LDZJPSWLZRBJAA-UHFFFAOYSA-N	324.385	1.061	50	20	DDGD	
C[C@@H](CC(=O)O)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	827304522	WSRHQKGAEUREJG-ZETCQYMHSA-N	324.724	1.944	50	20	DDGD	
CCCN(NC(=O)c1cc2n(n1)CCCO2)C(=O)OC(C)(C)C	495695875	OQCCNVCXOKXMDD-UHFFFAOYSA-N	324.381	1.958	50	20	DDGD	
CC(C)CN1CC[C@@H](CNC(=O)/C(C#N)=C\c2cnn(C)c2)C1	491101814	GEFBTIASRDCDDI-CWSGUEHPSA-N	315.421	1.421	50	20	DDGD	
Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc(B(O)O)cc3)C2)cc1	584982318	GOWMTOZXXFNVFH-WMLDXEAASA-N	323.201	1.693	50	20	DDGD	
COCCN1CCC(NC(=O)[C@]2(C)C[C@H]2Br)CC1	906416688	RRKITTKHORCHNF-DGCLKSJQSA-N	319.243	1.387	50	20	DDGD	
CCS(=O)(=O)CC(=O)NNc1nc2c(C)cccc2s1	828362326	HLBMAWOZMLTTNM-UHFFFAOYSA-N	313.404	1.483	50	20	DDGD	
C[C@@H](CC(=O)NN(C)[C@H](C)CO)C(=O)c1ccc(Cl)cc1	823940299	WLIVQRASILPBLD-WDEREUQCSA-N	312.797	1.893	50	20	DDGD	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)NC2CC2)cc1	490846947	WJGWTBSRKYMDAG-WQLSENKSSA-N	300.314	1.424	50	20	DDGD	
CC(C)(C)c1ncsc1NC(=O)c1cc(B(O)O)ccc1F	584958157	WMGKZKUZIZVIHS-UHFFFAOYSA-N	322.170	1.512	50	20	DDGD	
O=C(/C=C/[C@H]1CCOC1)NNC(=O)c1cc2ccccc2o1	493129020	UYBZHGRPYQOICN-QRGHLMKCSA-N	300.314	1.787	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=Cc2ccc(CO)o2)c1	739401716	WWANLMZNEOAOLW-UHFFFAOYSA-N	304.302	1.553	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C[C@@H]1CCOC1	739679768	AULXXNPRATXZLH-MNOVXSKESA-N	310.325	1.167	50	20	DDGD	
COCC[C@H](C=NNC(=O)C(C)C)NC(=O)OC(C)(C)C	496040891	KZPJYWNBGNTCCC-LLVKDONJSA-N	301.387	1.674	50	20	DDGD	
C[C@@H](O)[C@@](C)(CNS(=O)(=O)CCl)Cc1ccccc1	831255146	HQIOYBAJOWHQLU-DGCLKSJQSA-N	305.827	1.732	50	20	DDGD	
Cc1nn2cccnc2c1C(=O)NNc1nccnc1Cl	734261897	QNXOFJZEAGPJAO-UHFFFAOYSA-N	303.713	1.238	50	20	DDGD	
O=C(NN=C1CCc2ccccc21)c1cccc(-c2nn[nH]n2)c1	738129998	ZPGJOTSVNVPZLN-UHFFFAOYSA-N	318.340	1.947	50	20	DDGD	
COCCOC1CCN(C(=O)[C@]2(C)C[C@@H]2Br)CC1	906722602	IXOUMVBTCISTRL-WCQYABFASA-N	320.227	1.814	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNC(=O)c1c[nH]c2ccccc12	839472712	HDQZEWZBNARGTE-JTQLQIEISA-N	317.345	1.518	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)C(C)C)c(Br)s1	839474502	STCSNNNXFHOTLJ-UHFFFAOYSA-N	306.185	1.631	50	20	DDGD	
CSSCCNS(=O)(=O)c1cnc2n1CCCC2	907177202	HZHBYHLQDPUJSN-UHFFFAOYSA-N	307.466	1.509	50	20	DDGD	
CCOCCCN1CCC(=NNC(=O)c2cnccn2)[C@@H](C)C1	735227806	ZSWXMOZGSAKQHO-ZDUSSCGKSA-N	319.409	1.331	50	20	DDGD	
O=C(NCCOCC1CCC1)NNc1ncc(F)cc1F	838555988	UJQXHHVOVDZMSC-UHFFFAOYSA-N	300.309	1.803	50	20	DDGD	
C[C@H](C=NNC(=O)CN1CCCC1=O)c1cc(F)cc(F)c1	834931214	CBPMELUGCAIHQZ-SNVBAGLBSA-N	309.316	1.793	50	20	DDGD	
C=CCN(CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)C(C)C	839466500	AWTGHJPLASWMTB-UHFFFAOYSA-N	320.349	1.252	50	20	DDGD	
O=C(CC[C@@H]1CCNC1)NNc1nc(-c2ccccc2)no1	831898527	JCWXJBWNLLRFAB-LLVKDONJSA-N	301.350	1.569	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)COc1ccccc1O	730778051	AQQZDZPZBQRYBO-UHFFFAOYSA-N	316.313	1.241	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(C)cc(C)c1	730433273	KCWKLRPPYASKHR-CYBMUJFWSA-N	308.403	1.578	50	20	DDGD	
CO[C@@H](C=NNC(=O)Cc1cc(C)[nH]n1)Cc1ccccc1	834937675	VBZGJKRSOHJSIH-OAHLLOKOSA-N	300.362	1.620	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1CNC(=O)NNC(=O)N=c1cc[nH]cc1	836557283	JSOTYYOPIXATIE-VXGBXAGGSA-N	305.382	1.666	50	20	DDGD	
Cc1noc(C)c1C=NNC(=O)c1nnc(O)c2ccccc12	916320503	YQQNOCUJHXWSRL-UHFFFAOYSA-N	311.301	1.704	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1	910163977	OVXYMRSSMRBOIX-SNVBAGLBSA-N	315.377	1.307	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1ccc2c(c1)OCCCCO2	834438283	MPQQPYZQIZDMKE-LCYFTJDESA-N	322.386	1.994	50	20	DDGD	
CCOCCC1(CNC(=O)NNC(=O)[C@H]2CCCCO2)CC1	836372064	RAVXDOVFQSANPI-GFCCVEGCSA-N	313.398	1.093	50	20	DDGD	
N#Cc1cccc(C(=O)NN[C@H](C(=O)O)c2ccccc2F)c1	833074022	MIIUTANUKJFDKN-AWEZNQCLSA-N	313.288	1.758	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NN=C1C(=O)Nc2cc(O)ccc21	915950991	FUYCLNKUTIVVHO-UHFFFAOYSA-N	313.288	1.546	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)C1CC2(CCC2)C1	844136714	JKWBNZSGHJPNJT-UHFFFAOYSA-N	309.391	1.357	50	20	DDGD	
CNC(=O)c1ccc(C=NNC(=O)NCC(F)(F)F)cc1	917550962	FPUNMIBSNBKSRN-UHFFFAOYSA-N	302.256	1.242	50	20	DDGD	
Cc1cnc2cc(C(=O)NNC(=O)NCC(F)(F)F)ccn12	848032079	BVCYBGHOXGHGIQ-UHFFFAOYSA-N	315.255	1.149	50	20	DDGD	
CCc1ncsc1C(=O)NNC(=O)c1ccc2c(c1)OCO2	749883943	FJZOWJHMTLZPHV-UHFFFAOYSA-N	319.342	1.509	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(CN2CCCCC2=O)cc1	746001806	WWFKJARHNUBWDP-UHFFFAOYSA-N	318.377	1.115	50	20	DDGD	
C[C@H]1C[C@H]1c1ccc(CCC(=O)NNC(=O)c2ncccn2)o1	841354308	MAHTXLHXEKBPJR-CMPLNLGQSA-N	314.345	1.587	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1ccc(C2CC2)cc1	842589272	IZXMCEFYJMBPCK-HZMBPMFUSA-N	324.402	1.299	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1cc([N+](=O)[O-])ccc1N	842549284	JBCLIYSKFGRFKN-GXSJLCMTSA-N	306.322	1.442	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1coc(-c2ccccc2)n1	843651840	PEGCWILMKSBEIX-ZYHUDNBSSA-N	315.329	1.528	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)NC[C@@H]1CNCCCO1	842010947	NAVUHDSTAJRLIC-NSHDSACASA-N	312.801	1.653	50	20	DDGD	
Cc1cnn(CCC(=O)NNc2cccc([N+](=O)[O-])c2C)c1	748673241	DFHXJKZGPZCOIL-UHFFFAOYSA-N	303.322	1.942	50	20	DDGD	
CC[C@@H](C(=O)NNc1nnc(-c2ccccn2)s1)[C@H](C)O	842258194	OZEMLMLBEUABGX-DTWKUNHWSA-N	307.379	1.450	50	20	DDGD	
CC[C@@H](C#N)C(=O)NNC(=O)CSc1ccccc1[N+](=O)[O-]	846280521	FKMUAHUTVMKISQ-VIFPVBQESA-N	322.346	1.384	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC1CC2(CCC2)C1	845723573	HBLZGPSBTZQNGE-UHFFFAOYSA-N	303.362	1.972	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1C[C@@H](C)S[C@H](C)C1	743598928	OZRIBZIFMNLSKA-GHMZBOCLSA-N	323.418	1.875	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)/C=C/c1ccc(Cl)s1	843641037	FEAQURCKVFUPKJ-TZGNRLRUSA-N	314.794	1.987	50	20	DDGD	
COc1ccccc1OCCC(=O)NNC(=O)CC(F)(F)F	918365847	NHXZZCQWEDLGCU-UHFFFAOYSA-N	320.267	1.564	50	20	DDGD	
O=C(O)Nc1cccc(C(=O)NNC(=O)c2cccnc2)c1	740034542	WFFYMVVDLQMFHQ-UHFFFAOYSA-N	300.274	1.246	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=C1CCN(Cc2ccccc2)C1	842558015	QXFOVMQRDCGIEB-CZUORRHYSA-N	301.390	1.790	50	20	DDGD	
Cc1cc(C)cc(CCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	843660674	KTSNNIOBNYLTIE-ZFWWWQNUSA-N	304.390	1.808	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(C(F)(F)F)[nH]1	843971054	OJPDJDWSTKPQAT-NKWVEPMBSA-N	305.256	1.220	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@@H]2CCC[C@H]2OC)cc1	845234767	CDXIRVCVOMBXSZ-ZIAGYGMSSA-N	321.377	1.596	50	20	DDGD	
Cc1sc(=O)n(CC(=O)NNc2ccc(Cl)nc2)c1C	743816335	QGWIUCJMUTWHHN-UHFFFAOYSA-N	312.782	1.718	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)Cn1nnc2c1CCCC2	847957108	JZMLMGOXPRZMLG-UHFFFAOYSA-N	315.381	1.214	50	20	DDGD	
Cn1c(NNC(=O)CCC(C)(C)[N+](=O)[O-])nc2ccccc21	848380223	AKFZCPBLSVHRAF-UHFFFAOYSA-N	305.338	1.852	50	20	DDGD	
CC(=NNC(=O)COc1cc(C)cc(C)c1)c1ccn(C)n1	841607436	SZDUWUQDLCTEBQ-UHFFFAOYSA-N	300.362	1.956	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@H]2CCSC2)cc1	845013047	LYTUKGAORPLSME-LBPRGKRZSA-N	309.391	1.534	50	20	DDGD	
CCCNCCNC(=O)NNC(=O)Nc1ccc(OC)cc1	841961069	JOKZENYVPHAMPC-UHFFFAOYSA-N	309.370	1.031	50	20	DDGD	
CC[C@H](C#N)C(=O)NNC(=O)CSc1ccccc1[N+](=O)[O-]	846280518	FKMUAHUTVMKISQ-SECBINFHSA-N	322.346	1.384	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@]1(C)CCOC1	754017158	BCVMIXQLVXQPHF-BMIGLBTASA-N	310.325	1.167	50	20	DDGD	
O=C(NCCN1CCc2ccccc21)NNC(=O)C1CCC1	926796768	MLIWBYKLVPVABN-UHFFFAOYSA-N	302.378	1.180	50	20	DDGD	
O=C(NCc1nnnn1C1CC1)NNc1ccc(F)c(F)c1	920822106	OPCOIFKPWQPAIB-UHFFFAOYSA-N	309.280	1.113	50	20	DDGD	
COCCN1CC(=O)N(C[C@]2(C)C[C@@H]2Br)C1=O	857227056	FMRNPBNEXLUBKM-KWQFWETISA-N	305.172	1.071	50	20	DDGD	
CC(C)(C)OC(=O)[C@@]1(C(=O)NNC(=O)C2CC2)C[C@H]2CC[C@H]1C2	854179374	AHDRTNSDMZWAQK-ZMNCSTGQSA-N	322.405	1.692	50	20	DDGD	
O=C(NCc1ccc(F)c(F)c1)NNC(=O)c1ccccc1O	920343870	IAFOSJYMOPUGEG-UHFFFAOYSA-N	321.283	1.815	50	20	DDGD	
O=C(NNC(=O)c1ccc(-n2cccc2)nc1)c1ccncc1	753274200	NVNGYTLPTQJHMQ-UHFFFAOYSA-N	307.313	1.342	50	20	DDGD	
CC(CCC(F)(F)F)=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	853389725	VUIVQYBAPQGQCI-MNOVXSKESA-N	307.316	1.684	50	20	DDGD	
COc1cccc([S@@](=O)CC(=O)NCCCSC#N)c1	854367540	UGLIOKMCLUGGGY-FQEVSTJZSA-N	312.416	1.523	50	20	DDGD	
CCC(=NNC(=O)CNc1ccccc1OC)c1ccn(C)n1	758075192	ZMOFMLKBCOPCPG-UHFFFAOYSA-N	315.377	1.771	50	20	DDGD	
O=S(=O)(CBr)N[C@@H]1CCCc2cccnc21	921837711	QDAULLUIHZPZKL-SECBINFHSA-N	305.197	1.731	50	20	DDGD	
COCCN1CC(=O)N(C[C@]2(C)C[C@H]2Br)C1=O	857227055	FMRNPBNEXLUBKM-KCJUWKMLSA-N	305.172	1.071	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@@H](CO)C2)C[C@H]1Br	856951559	XOXZNDRBBYKMOR-CKYFFXLPSA-N	305.216	1.574	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cc1cnn2ccccc12)C1CC1	855094587	CCABGHOBMIIXOT-JTQLQIEISA-N	317.418	1.171	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCCC2CSC2)cc(C#N)n1C	854979028	HPBLPEDNFZDHCX-RZNTYIFUSA-N	314.414	1.981	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1ccc(-n2nccn2)cc1	755917367	YAFYUPNNPYPMIR-UHFFFAOYSA-N	323.316	1.129	50	20	DDGD	
C[C@H](C(=O)NNc1cccnn1)c1ccc(S(C)(=O)=O)cc1	753338051	BSJTYWKQDXWKJN-JTQLQIEISA-N	320.374	1.127	50	20	DDGD	
CC(C)c1nn(C)cc1C(=O)NNC(=O)OCC(F)(F)F	856024133	JOWLYZFJPFZBTD-UHFFFAOYSA-N	308.260	1.477	50	20	DDGD	
CNc1nnc(CC(=O)NC[C@]2(C)C[C@H]2Br)s1	857732719	CKOQEWOOCCBVLG-LDWIPMOCSA-N	319.228	1.412	50	20	DDGD	
CON=Cc1ccc(C(=O)NNC(=O)c2ccccc2F)cc1	859378426	PBZZGHWAORAASK-UHFFFAOYSA-N	315.304	1.881	50	20	DDGD	
CN(C)CC(=O)NN=C1C(=O)Nc2ccc(C(F)(F)F)cc21	754261177	VMGDNLAFPVLCBY-UHFFFAOYSA-N	314.267	1.039	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1	933706392	LKCGISYZQVBXLB-ZHRONYKTSA-N	307.438	1.548	50	20	DDGD	
COc1ccc(NNC(=O)C[C@@](C)(O)C2CC2)c([N+](=O)[O-])c1	756005488	LNIVIPDSAGVFQP-CQSZACIVSA-N	309.322	1.598	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCCO2)c1nccn1C	755628214	QARXLVCNBJZQRJ-UHFFFAOYSA-N	300.318	1.345	50	20	DDGD	
O=S(=O)(NCC(Cl)Cl)c1[nH]cnc1Br	867470979	VCHNNNPFCMLBAY-UHFFFAOYSA-N	322.999	1.254	50	20	DDGD	
OB(O)[C@H]1CCN(c2nc(-c3ccncc3)nc3ccccc23)C1	864234267	SZXMRAZZANTJQR-ZDUSSCGKSA-N	320.161	1.745	50	20	DDGD	
COc1ccc(S(=O)(=O)NCC(Cl)Cl)cc1F	867471301	GIQIWOVWYHKNPY-UHFFFAOYSA-N	302.154	1.916	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)C(=O)N1CCc2c(F)cccc21	764067136	ZEZZECQXZUSYSD-UHFFFAOYSA-N	319.336	1.052	50	20	DDGD	
CN1[C@H]2CC[C@H]1CC(NS(=O)(=O)CC(C)(C)CCl)C2	867358171	VJEVVUMFSZYTMW-RYUDHWBXSA-N	308.875	1.796	50	20	DDGD	
CCn1ncc(C(=O)NNc2ccccc2S(C)(=O)=O)c1C	866728030	OMKBUDGBDHUAGR-UHFFFAOYSA-N	322.390	1.372	50	20	DDGD	
Cc1ncccc1C(=O)NNC(=O)CSc1ccccc1O	764047402	RKUNJSZJPKEIHJ-UHFFFAOYSA-N	317.370	1.649	50	20	DDGD	
O=C(NN=Cc1cc(F)cc2cccnc12)C(=O)NC1CC1	760239077	ILOUWQNNPLZVBO-UHFFFAOYSA-N	300.293	1.103	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@@H]1CCc2n[nH]cc2C1	765846822	ZEMLXOQXGOJGML-SNVBAGLBSA-N	317.324	1.050	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Cc1c(C)oc2ccccc12	767992289	DGTQBLCNRWHRJN-UHFFFAOYSA-N	312.329	1.776	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC(F)(F)C(F)(F)F)n[nH]1	867069738	YWSHZONDRQFNTD-UHFFFAOYSA-N	300.187	1.067	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C[C@H](C)c2ccccc2F)n[nH]1	869012358	ODELIMNXMUZWEK-JTQLQIEISA-N	318.352	1.741	50	20	DDGD	
Cc1cccc([C@@H]2C[C@H]2C(=O)NNC(=O)Cc2cc(C)[nH]n2)c1	869018851	OJRYXLFLTAMFQJ-LSDHHAIUSA-N	312.373	1.520	50	20	DDGD	
O=C(NNC(=O)c1ncccn1)c1cc(-c2cccs2)[nH]n1	768268753	UZPBINOVAGHESW-UHFFFAOYSA-N	314.330	1.003	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2nccc3sccc23)co1	760281945	FTPXMLCRZKINJP-UHFFFAOYSA-N	302.315	1.745	50	20	DDGD	
Cc1cc2cc(C=NNC(=O)CS(C)(=O)=O)oc2cc1C	863189161	BMBXHRCUUOYBHX-UHFFFAOYSA-N	308.359	1.544	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NNc1cccc(C#N)c1	766277541	UOGIRZDHGNPYCE-CHWSQXEVSA-N	301.350	1.099	50	20	DDGD	
COC/C=C\C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	864517885	NYIWHUJCZNQETO-XOULXFPDSA-N	308.403	1.837	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2[C@H](C)O[C@H](C)[C@@H]2C)cc1	861566795	RSPZHGKMCLFESW-MIJXAVMKSA-N	321.377	1.907	50	20	DDGD	
O=C(/C=C\CN1CCOCC1)NNc1ccc(F)c(Cl)c1	869453842	LHDHPEGHLHIWAC-UPHRSURJSA-N	313.760	1.811	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccc(-n2cccn2)nc1	768514607	HVBZTQSPZJNPCG-UHFFFAOYSA-N	319.328	1.901	50	20	DDGD	
CC/C=C(/C)C(=O)OCC(=O)NNC(=O)Cc1ccccc1C	767267245	BZGZGGZQHSLEPH-QPEQYQDCSA-N	318.373	1.584	50	20	DDGD	
Cc1csc(CCC(=O)NNC(=O)Cc2ccccc2F)n1	766635199	VQHGUIRSPLKPOL-UHFFFAOYSA-N	321.377	1.913	50	20	DDGD	
COC(=O)c1ccc(F)c(NC(=O)NNc2ncccn2)c1	775498101	HDUQKRKYMREOKX-UHFFFAOYSA-N	305.269	1.551	50	20	DDGD	
COc1cc(Cl)c(Cl)cc1NC(=O)NNC(=O)CCO	1116754878	MELIEXXJJIWKKV-UHFFFAOYSA-N	322.148	1.537	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H](O)c1ccc(C(F)(F)F)cc1	874194187	DJYYJEVGOFKDFO-SECBINFHSA-N	305.256	1.089	50	20	DDGD	
CC(C)=CCNC(=O)NNC(=O)c1cncn1-c1ccccc1	1116745679	WUYSNKWOTQYVTI-UHFFFAOYSA-N	313.361	1.783	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cccc(OCC#N)c2)n1	775512957	ULPLCAWHZBXSCD-UHFFFAOYSA-N	314.305	1.536	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@@H](C)c1cc(C)ccc1OC	774823666	LDKRRWNZDRVLAD-RYUDHWBXSA-N	307.394	1.600	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@H](C)N2CCC[C@H](C)C2)cc[nH]1	875071971	OOJDWHFMLCKQRS-JSGCOSHPSA-N	305.426	1.558	50	20	DDGD	
COc1cc(NC(=O)NNc2cccnn2)cc(OC)c1OC	778237719	YAPKDTSOTHUAQS-UHFFFAOYSA-N	319.321	1.651	50	20	DDGD	
C[C@@H](O)c1ncc(C=NNC(=O)c2ccc(C#N)cc2)s1	773055897	SRDNTTPQSBVGSI-SECBINFHSA-N	300.343	1.832	50	20	DDGD	
CC1(C(=O)NNC(=O)Cc2ccccc2F)CC(F)(F)C1	874447980	LMMIESHUYLLEEJ-UHFFFAOYSA-N	300.280	1.951	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2cccc3nccn23)c1	770394629	DDEVMYNBHSULOW-UHFFFAOYSA-N	323.356	1.475	50	20	DDGD	
CSc1ccccc1CC(=O)NNc1ncnc2[nH]cnc12	777524433	XVMIGKWJSFVXSW-UHFFFAOYSA-N	314.374	1.761	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=CC1CCN(C)CC1	872330695	MBMUUSULZVFNQM-UHFFFAOYSA-N	313.405	1.789	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CS(=O)(=O)C(C)(C)C	772866270	IEGOTILCCJQIEP-UHFFFAOYSA-N	314.411	1.256	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@]2(C)CCNC2=O)cc1C	873762546	ZSMPDWIIBHRTHV-OAHLLOKOSA-N	320.418	1.147	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2	778650309	MDKXJRFHPMJVGQ-UHFFFAOYSA-N	324.293	1.068	50	20	DDGD	
CC(C)[C@H]1C[C@H](CC(=O)NNC(=O)C2CCOCC2)CCO1	883068231	MKSLRBKZYGOMKY-TZMCWYRMSA-N	312.410	1.402	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cnn(C)c1Cc1ccccc1	770110911	PFDZIAMGBFRQED-UHFFFAOYSA-N	300.362	1.428	50	20	DDGD	
O=C(NNS(=O)(=O)CCC1CC1)c1cc2c(s1)CCC2	770635497	QJQFHHXIKLLAAL-UHFFFAOYSA-N	314.432	1.601	50	20	DDGD	
NC(=O)CCCC(=O)NNc1cc(Br)ccc1F	885146384	WFXVDFIEVAECDB-UHFFFAOYSA-N	318.146	1.687	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H]2CCC[C@@H]2OC)c1	780841013	JPORZCWYRIPZAZ-OCCSQVGLSA-N	321.377	1.914	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)cccc1[N+](=O)[O-]	787133843	LEEVITURSDFYFR-WDEREUQCSA-N	320.349	1.638	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cccc2nccn12	780737427	ABUQDUMDUOMPMH-UHFFFAOYSA-N	310.313	1.878	50	20	DDGD	
Cc1ccc(N2CCOC2=O)cc1NC(=O)NNC(=O)C(C)C	782581144	FUGGRBWTCWAPOH-UHFFFAOYSA-N	320.349	1.760	50	20	DDGD	
Cn1c(O)nc2cc(C(=O)NNc3ccnc(F)c3)ccc21	781361004	PANJJPBTPQNSOB-UHFFFAOYSA-N	301.281	1.570	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)c2cc(-c3ccccc3)on2)CO1	784144239	ILQMERVZGICTOQ-CMPLNLGQSA-N	315.329	1.528	50	20	DDGD	
O=S(=O)(CCCCl)NCCc1cn2c(n1)CCCC2	881779458	KVKAGXCFTLBAHZ-UHFFFAOYSA-N	305.831	1.310	50	20	DDGD	
CCOC1CC(CC(=O)NNC(=O)c2ccc3c(c2)OCO3)C1	788672084	SKLXDBPMVSYTGA-UHFFFAOYSA-N	320.345	1.382	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1ccc(-n2ccnc2)nc1	781831933	SIRWHHIFCZMXEV-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
COc1ncc(C(C)=NNC(=O)c2cnccn2)cc1Cl	788976505	ZUVFAXGYHCLNAG-UHFFFAOYSA-N	305.725	1.688	50	20	DDGD	
CCc1cncc(C(=O)NNC(=O)COc2ccc(C#N)cc2)c1	789869342	MOWIABBGXFUDCQ-UHFFFAOYSA-N	324.340	1.356	50	20	DDGD	
Cc1[nH]c2ccc(F)cc2c1C=NNC(=O)CN1CCCC1=O	782223356	OYOSVHRUGUNLSI-UHFFFAOYSA-N	316.336	1.688	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCCN1c1ccccc1	787335975	XCMXLAHRDLVXRX-CQSZACIVSA-N	313.361	1.148	50	20	DDGD	
Cc1cc(OC(=O)COCc2ccnn2C)ccc1[N+](=O)[O-]	790151728	SIZKZDBUPFXMFG-UHFFFAOYSA-N	305.290	1.759	50	20	DDGD	
Cc1ccc(NCC(=O)NN=C2CC(=O)N3CCCC[C@@H]23)cc1	799467497	QLKAGOFQIDNZQK-HNNXBMFYSA-N	314.389	1.664	50	20	DDGD	
CSSCCNS(=O)(=O)c1cnc(Cl)n1C	790349091	DUTDHZNLJWLXLV-UHFFFAOYSA-N	301.846	1.363	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCc2ccc(F)cc2)n1	794074247	ACEBSFIANZBULK-UHFFFAOYSA-N	301.321	1.923	50	20	DDGD	
CC[C@@H](C)n1ncc(NC(=O)C(=O)NNc2ccccn2)c1C	792261007	RZXAUOFUKQCRJD-SNVBAGLBSA-N	316.365	1.639	50	20	DDGD	
C[C@H]1CCC[C@H]1CNC(=O)NNC(=O)COc1ccccc1O	798511450	OGQSBZSQPGAFRT-RYUDHWBXSA-N	321.377	1.538	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)Nc1cccc2c1CCO2	797671663	MGSNTFUPMNTFQP-UHFFFAOYSA-N	313.313	1.794	50	20	DDGD	
C=C[C@H](NNC(=O)c1ccc(OCCC)c(OC)c1)C(=O)OC	799976719	VHABTLKUBUFEDN-LBPRGKRZSA-N	322.361	1.446	50	20	DDGD	
CC(C)N(CC(=O)NNC(=O)c1cccs1)CC(F)F	777605644	RMXCTVYEBPJYRG-UHFFFAOYSA-N	305.350	1.485	50	20	DDGD	
Nc1cnnc(NNC(=O)c2nc(Cl)ccc2F)c1Cl	1319531636	GVCJTRBBWXFALL-UHFFFAOYSA-N	317.111	1.657	50	20	DDGD	
CC(=O)Nc1ccc(NC(=O)C(=O)NNc2ccccn2)cc1	1320173217	HVZCNFAQVUMCGQ-UHFFFAOYSA-N	313.317	1.122	50	20	DDGD	
CCCNC(=O)NNC(=O)CSCc1csc(C)n1	1322040307	VVFYASDDHDUMIQ-UHFFFAOYSA-N	302.425	1.425	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)OC1CCCCC1	1321051070	DEKGLEQUXLTEMF-GHMZBOCLSA-N	314.382	1.213	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H]1CCCCN1Cc1cccc(C)c1	1321887059	QPOAAMPIHKXSJJ-HNNXBMFYSA-N	318.421	1.700	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H]2CCCC[C@@H]2N(C)C)n1	1256324381	LERDKEBZXZQZCD-JSGCOSHPSA-N	319.409	1.207	50	20	DDGD	
CC(C)CCN(C)C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1331095371	BGHFXDMAHZSIPP-ZWNOBZJWSA-N	319.243	1.781	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNC(=O)c1ccccc1Cl	1348443987	ZLWCDRMSYJMFNC-SNVBAGLBSA-N	311.769	1.249	50	20	DDGD	
COc1nc(C)ccc1C(=O)NNc1nncc(N)c1Cl	1341867348	BXULNFYQDHENDB-UHFFFAOYSA-N	308.729	1.181	50	20	DDGD	
Cc1cc(C(F)F)n2ncc(C(=O)NNC(=O)C(C)C)c2n1	1345506040	HVAJHELOUZJXQV-UHFFFAOYSA-N	311.292	1.392	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ncc(Cl)cc1Cl	1353726295	KEYRLOUXDGDUGP-HTRCEHHLSA-N	318.160	1.574	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2C[C@@H](C(=O)OC)C2)c1F	1358289121	ZWXOGNDRYXEVQN-DTORHVGOSA-N	324.308	1.255	50	20	DDGD	
CSCC[C@H](N)CC(=O)NC[C@@]1(C)C[C@H]1Br	1357908889	ABENDFGAJZJZGA-IQJOONFLSA-N	309.273	1.747	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@@H]2CCC[C@H](C(=O)O)C2)c1Cl	1608274031	MCGSDSKCYKHTCL-RQJHMYQMSA-N	313.745	1.046	50	20	DDGD	
CC[C@H](C)Oc1cc(C)ccc1CNC(=O)NNC(=O)C(=O)O	1604966031	PKAVVWUZVMYGFG-JTQLQIEISA-N	323.349	1.087	50	20	DDGD	
Cc1cc(C=NNC(=O)NC(C)C)cc(C)c1OCC(=O)O	1600185102	GTABALCZVALPPM-UHFFFAOYSA-N	307.350	1.808	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cccc(-c3nn[nH]n3)c2C)n1	1605651203	MUSPCPUSADUXFO-UHFFFAOYSA-N	324.348	1.339	50	20	DDGD	
Cc1c(NNC(=O)c2csc(CO)n2)cccc1C(=O)O	1607552426	IXOKZRVFBRSGHQ-UHFFFAOYSA-N	307.331	1.399	50	20	DDGD	
O=C(NNc1ccc(F)cc1Cl)NC1CC(C(=O)O)C1	1608480365	IQZUVXKGNXDCCZ-UHFFFAOYSA-N	301.705	1.968	50	20	DDGD	
Cc1ccc(NNC(=O)c2nn(C)cc2Cl)cc1C(=O)O	1607809578	VVPZACMUDGLZAW-UHFFFAOYSA-N	308.725	1.837	50	20	DDGD	
Cc1nn(C)cc1CCC(=O)NNc1ccc(C(=O)O)cc1F	1608003026	BEALRTAZRIEBHM-UHFFFAOYSA-N	320.324	1.642	50	20	DDGD	
Cc1ccc(NNC(=O)[C@]2(C#N)CCCOC2)cc1C(=O)O	1607809766	CGVPKSXSZGWSLU-HNNXBMFYSA-N	303.318	1.457	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1cc(C(=O)O)ccn1	1608317625	GDSHCWBGMKYFIC-UHFFFAOYSA-N	313.313	1.174	50	20	DDGD	
Cc1ccc(NC(=O)NNc2ccc(-c3nn[nH]n3)cc2)cn1	1605870489	LCVUSXJHCSDPLT-UHFFFAOYSA-N	310.321	1.719	50	20	DDGD	
CSCCONC(=O)NNc1ccc(F)c(C(=O)O)c1	1610381938	GIXMLTKOMXAEGX-UHFFFAOYSA-N	303.315	1.445	50	20	DDGD	
O=C(NC[C@H]1CCCCO1)NNc1cccc(C(=O)O)c1F	1610690913	LQIMGTGWGLOYHM-SECBINFHSA-N	311.313	1.719	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCO[C@@H]1c1ccnn1C)c1ccc[nH]1	1549316263	OENKPGJHELOPPY-WFASDCNBSA-N	315.377	1.756	50	20	DDGD	
O=C(NN=C1CCCc2sccc21)[C@H]1CN2CCC[C@@H]2CO1	1549322386	YRRINZWDTDARCD-BXUZGUMPSA-N	319.430	1.768	50	20	DDGD	
Cc1cc(C(=O)NN=C[C@H]2CCCO[C@H]2c2ccnn2C)n[nH]1	1552450369	WABKFUXHFDJKGC-BXUZGUMPSA-N	316.365	1.335	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1nc(CN)sc1C	1579642333	ABTNCSDFRCDKTR-UHFFFAOYSA-N	321.362	1.884	50	20	DDGD	
CNNC(=O)c1ccc2c(c1)OCCN(C(=O)OC(C)(C)C)C2	1578744360	FSSZWNVROWJBSS-UHFFFAOYSA-N	321.377	1.680	50	20	DDGD	
CCc1cnc(CC(=O)NNc2ccc(C(=O)O)c(F)c2)[nH]1	1597627069	ATFFDZIXKDEZKG-UHFFFAOYSA-N	306.297	1.495	50	20	DDGD	
CO[C@H](CC(=O)NNc1ccc(F)c(C(=O)O)c1)C(F)(F)F	1599042163	AASPCPMKDYVILQ-SECBINFHSA-N	324.230	1.934	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C2(C(=O)O)CCOCC2)c1	1594059249	AVHSAGBRGARFNA-UHFFFAOYSA-N	312.297	1.159	50	20	DDGD	
Cc1cc(C(=O)NNc2ncccc2C(=O)O)c(N)cc1F	1594281170	WBRZLGOUPRUTFL-UHFFFAOYSA-N	304.281	1.566	50	20	DDGD	
CO[C@@H](C(=O)NNc1ccccc1C(=O)O)C(=O)OC(C)(C)C	1599029325	XXSPXYWRHNIGKC-NSHDSACASA-N	324.333	1.185	50	20	DDGD	
CCOCc1nc(C)cc(NNC(=O)C2(CC(=O)O)CCC2)n1	1591987686	RBXKOIZXBRGQOU-UHFFFAOYSA-N	322.365	1.410	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=Cc1ccc(C(=O)O)cc1OC	1776102579	SWBLJKXRLSZDSD-DGCLKSJQSA-N	306.318	1.269	50	20	DDGD	
Cn1ncc(C(=O)O)c1/C=C(/C#N)C(=O)NCc1ccccc1	1776118146	UNYAPJMHCGTCKR-GHXNOFRVSA-N	310.313	1.342	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(F)F)C(Cl)Cl	1795561427	JTKKZRWNUFPTFQ-KVSKUHBBSA-N	315.147	1.693	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC1)[C@@H](F)Cl	1795396545	IZTFUTZIIYBICD-WRWGMCAJSA-N	302.777	1.959	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(C(=O)NC(C)C)cc1	162781467	AJXGRALEATUGSD-UHFFFAOYSA-N	320.393	1.569	50	20	DDGD	
COCCC1(CNC(=O)NNC(=O)Cc2ccc(F)cc2)CC1	151528083	JEZFODOLJCWVOR-UHFFFAOYSA-N	323.368	1.515	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2cccc([N+](=O)[O-])c2)s1	151673683	WASBVIISELLYMF-UHFFFAOYSA-N	306.303	1.512	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C[C@H](C)c2ccccc2C)[nH]n1	153097643	HYFKNFJNZJATMG-NSHDSACASA-N	300.362	1.981	50	20	DDGD	
CCCC1(CNC(=O)NNC(=O)Cn2nc(C)cc2C)CC1	154210552	SPIXCBBFPOIMPQ-UHFFFAOYSA-N	307.398	1.411	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(F)cc3[nH]cnc23)nc1	159357457	ZMIOUOGPJLBLKP-UHFFFAOYSA-N	301.281	1.863	50	20	DDGD	
CCc1ccc(S(=O)(=O)NNC(=O)c2ccc[nH]2)cc1CC	159997340	RURIRISNGNGXMM-UHFFFAOYSA-N	321.402	1.763	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Cc2ccccc2C)n1	7520234	COSHFAVAMSMDHA-UHFFFAOYSA-N	300.362	1.198	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1	7957564	PDYUZRVGGUMCMF-UHFFFAOYSA-N	315.285	1.021	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1ccc(Cl)cc1Cl	53919476	ZYGUJIQAQMMYTQ-UHFFFAOYSA-N	318.160	1.680	50	20	DDGD	
Cc1[nH]c(-c2ccccn2)n/c(=N\NC(=O)c2cn(C)cn2)c1C	179087678	CGGBNLMHDZGYCJ-UHFFFAOYSA-N	323.360	1.068	50	20	DDGD	
Cc1ccc(NNC(=O)NCCOc2ccc(F)c(F)c2)nn1	106566935	CVNCOKFYXFOQBG-UHFFFAOYSA-N	323.303	1.768	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)c2ccc(C#N)cc2)cc1	57979900	WLMKFHJCEAIQDS-UHFFFAOYSA-N	324.340	1.711	50	20	DDGD	
CC[C@H](CC(=O)NNC(=O)N1CCOCC1)c1ccc(C)cc1	172343514	LEQPRWRGQBRPTR-CQSZACIVSA-N	319.405	1.952	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1nc(C2CC2)cs1	170701843	JOZLFTPMKYEZLC-UHFFFAOYSA-N	305.363	1.826	50	20	DDGD	
O=C(NNc1ncccn1)c1cc(Br)ccc1O	119383984	HMYYLOMDFKHGSJ-UHFFFAOYSA-N	309.123	1.702	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1cc(F)c(F)c(F)c1	180967172	BLDGNTLLJMNLOC-UHFFFAOYSA-N	317.267	1.236	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2ccc(C)c(C)c2)n1	181515550	KKKQGLPCSYFYGV-UHFFFAOYSA-N	314.345	1.789	50	20	DDGD	
CC(C)c1noc(CCC(=O)NNc2ccc(Cl)nn2)n1	118504306	XVEWDJJYSRDTEP-UHFFFAOYSA-N	310.745	1.712	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@H](C)C(=O)NNC(=O)CC1CCCC1	175843221	UHTIJJDLZHDFHH-NSHDSACASA-N	320.437	1.943	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(CCC#N)CC(C)(C)C	111250655	OVTGYHVGXFDQQF-ZDUSSCGKSA-N	310.442	1.830	50	20	DDGD	
Cn1cc(CCNC(=O)NNc2cc(F)c(F)cc2F)cn1	115802067	MOGUQKJIDHGBFK-UHFFFAOYSA-N	313.283	1.706	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)[C@H]1C[C@H]1C1CC1	125613536	FHFBDTYCVWESIK-QWRGUYRKSA-N	306.387	1.678	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2ccc(F)cc2O)c1	123168358	QZXXYAKWDQINJU-UHFFFAOYSA-N	318.304	1.680	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@H]1CCCc2sccc21	123866000	PGAIQQFEDSLPTJ-ZDUSSCGKSA-N	315.398	1.953	50	20	DDGD	
CC(C)C(=O)N1CCC(C(=O)NNc2ccnc(F)c2)CC1	182471955	SVEAQBUZTRSQCT-UHFFFAOYSA-N	308.357	1.558	50	20	DDGD	
C=C[C@@](C)(CCOC)C(=O)NNC(=O)Cc1ccccc1F	188638959	QHZYRPOEKZHBAU-INIZCTEOSA-N	308.353	1.744	50	20	DDGD	
CCC1(CNC(=O)NNc2cccc(S(C)(=O)=O)c2)CC1	181691900	LQCOXPBZXGUVMQ-UHFFFAOYSA-N	311.407	1.906	50	20	DDGD	
Cc1cccc(C)c1OCCNC(=O)NNc1cccnn1	77345185	MXTUOHWIBHWSQP-UHFFFAOYSA-N	301.350	1.799	50	20	DDGD	
CN(C)C(=O)c1cccc(C(=O)NNc2ccnc(F)c2)c1	182429018	JMGSNJXDEATKNR-UHFFFAOYSA-N	302.309	1.679	50	20	DDGD	
COc1cccc(NNC(=O)c2cn(-c3cccc(C)c3)nn2)n1	180731231	FTUBTMYWMFGZPK-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
CCSCc1cc(C(=O)NNC(=O)c2cccn2C)no1	184866029	WTXDMOJZKCBBGS-UHFFFAOYSA-N	308.363	1.341	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cccn2C)cnn1CCC(C)C	128401255	XPXOKESZTJRXJD-UHFFFAOYSA-N	317.393	1.651	50	20	DDGD	
O=C(CCN1C(=O)COc2ccccc21)NNc1ccccn1	181201472	FVKNQRRGXQEVHM-UHFFFAOYSA-N	312.329	1.340	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccccc1O	43935989	NJAJQGVJMZYKBS-VIFPVBQESA-N	323.349	1.066	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cnc(Cc2ccccc2)s1	131026538	CQIILBBBBIMYGR-UHFFFAOYSA-N	318.402	1.057	50	20	DDGD	
COC[C@@H]1CN(C(=O)c2c(C)nn(CCCl)c2C)CCO1	81453316	AMSWSMHKYLSKLX-LBPRGKRZSA-N	315.801	1.226	50	20	DDGD	
CC(C)c1noc(CCC(=O)NNC(=O)CC2CCCC2)n1	195210101	QFKMZMYUXKFCJW-UHFFFAOYSA-N	308.382	1.853	50	20	DDGD	
C#CCN1CCN(C(=O)c2c(C)nn(CCCl)c2C)CC1	81396314	GAUASOMLJNSOHR-UHFFFAOYSA-N	308.813	1.130	50	20	DDGD	
Cc1cc(Br)oc1C(=O)NNC(=O)[C@@H]1CCCO1	48779260	GRWUBBYSOYDMJU-ZETCQYMHSA-N	317.139	1.291	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@H](C)N2CCC(C)CC2)o1	84434602	QYFHOBIDXUUMHO-LBPRGKRZSA-N	322.409	1.652	50	20	DDGD	
CCN(C)c1ccc(/C=C(\C#N)C(=O)NCCCOC)cn1	190231738	SJWSNOBRDJZETK-GXDHUFHOSA-N	302.378	1.597	50	20	DDGD	
COC[C@@H]1CN(C(=O)/C(C#N)=C\c2ccc(O)cc2)CCO1	194687498	NACOQKRRQBMQAR-ODDCISTRSA-N	302.330	1.173	50	20	DDGD	
CCNCCNS(=O)(=O)c1ccc(CCCCl)cc1	237021311	MQIXHJPRKVDVFT-UHFFFAOYSA-N	304.843	1.746	50	20	DDGD	
CSCCNC(=S)NNC(=O)/C=C/c1cnc(C)s1	94120952	MYQPZMYFHNVRKS-ONEGZZNKSA-N	316.477	1.323	50	20	DDGD	
CC[C@@H](C)[C@H](C)NC(=O)NNc1ccc(-n2cccn2)nn1	98122260	SWXXUCGJDAUJRB-MNOVXSKESA-N	303.370	1.723	50	20	DDGD	
O=C(/C=C\c1ccco1)NNC(=O)NCCc1cccs1	254986103	JDVRQMHOQICBOP-WAYWQWQTSA-N	305.359	1.927	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@H](O)CC(C)(C)C	265294412	DLPKWEURYQOIQF-GFCCVEGCSA-N	307.394	1.736	50	20	DDGD	
COC(=O)[C@H]1CCC[C@H](C(=O)NNc2nc(C)cc(OC)n2)C1	266982014	ZKQNSPLJOIGNHI-QWRGUYRKSA-N	322.365	1.216	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2CCOC3(CCC3)C2)n1	269247126	IRPSZDQOBUVPLV-LBPRGKRZSA-N	305.382	1.821	50	20	DDGD	
CCc1n[nH]c(=O)c(C(=O)NN(C)c2ccccc2)c1CC	269336278	ZOFRXUHWVIYVHD-UHFFFAOYSA-N	300.362	1.676	50	20	DDGD	
CCc1cccc(CC)c1NC(=O)C(=O)NNC(=O)CC(C)C	274037095	DWZRNQKNDOOXRF-UHFFFAOYSA-N	319.405	1.943	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1ccc(O[C@@H](C)C(=O)OC)cc1	276293652	KIHBAYRHNXCFED-HOXUKUGESA-N	323.370	1.926	50	20	DDGD	
CC(C)NC(=O)NNS(=O)(=O)c1c[nH]c2cccc(F)c12	274490031	ZLXLWLMIQZZRGQ-UHFFFAOYSA-N	314.342	1.208	50	20	DDGD	
C[C@@H](O)c1ccc(CNS(=O)(=O)CBr)cc1	272862539	XUVHKMQZLKMSOK-MRVPVSSYSA-N	308.197	1.512	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CCC(=O)OC(C)(C)C	277445904	MYSPLHLICMULLS-UHFFFAOYSA-N	322.361	1.578	50	20	DDGD	
C=CCCOCCNC(=O)NNC(=O)COc1ccc(C)cc1	270534135	WBWQEPLMRKLDGF-UHFFFAOYSA-N	321.377	1.297	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](CC(=O)NNC(=O)c2ccncc2)CCO1	272920744	AXVBAGBUQNKHGU-JSGCOSHPSA-N	305.378	1.684	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)[C@H]1CCCCS1(=O)=O	275117621	ZBMBHPCLJBJZQV-LLVKDONJSA-N	304.318	1.375	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cc(C#N)ccc1OCCOC	273117638	BYQRWWMEBRETEC-ACCUITESSA-N	315.329	1.966	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)c1ocnc1C1CC1	289364349	KTOZXHMPKBUPRR-UHFFFAOYSA-N	317.301	1.098	50	20	DDGD	
C=C(C)CN1CCC(NC(=O)NNc2ncccc2F)CC1	287495170	UHCYABAEAVKIPY-UHFFFAOYSA-N	307.373	1.887	50	20	DDGD	
Cc1cnn([C@H]2CCN(CCI)C2)c1	289931720	PBETWIBUMIFFQK-JTQLQIEISA-N	305.163	1.873	50	20	DDGD	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1cc(F)c(F)c(F)c1	285856945	UTZGRKLRBFBWMT-JGVFFNPUSA-N	302.252	1.746	50	20	DDGD	
CC(C)[C@@H](O)C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	289027834	KSAOSYRPGALFRT-SNVBAGLBSA-N	317.292	1.458	50	20	DDGD	
CS(=O)(=O)CCCC(=O)NNc1cccc(F)c1[N+](=O)[O-]	280352877	BGIDCHFKAJKWBU-UHFFFAOYSA-N	319.314	1.002	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCc2cccc(C)n2)n1	281674105	UCBFEQWWNVEPEI-UHFFFAOYSA-N	316.365	1.366	50	20	DDGD	
CO[C@@]1(C)CCCN(C(=O)NNC(=O)c2ccc(C)s2)C1	280160192	GFZCFJZEDSREBA-AWEZNQCLSA-N	311.407	1.912	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)C1CCN(CC(F)F)CC1	297042908	UTAKYTKNPPOIHJ-UHFFFAOYSA-N	320.290	1.780	50	20	DDGD	
CN(NC(=O)COc1ccc(C(N)=O)cc1)C(=O)OC(C)(C)C	297662794	NEGRKWXCKHPJIV-UHFFFAOYSA-N	323.349	1.062	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)[C@@H]3CCCCO3)[nH]n2)o1	295311343	FSWMOMVQHBSYNN-ZDUSSCGKSA-N	318.333	1.308	50	20	DDGD	
Cn1cncc1CCC(=O)NNC(=O)Nc1ccc(Cl)cc1	802022244	JPRVQPGJOZGSOZ-UHFFFAOYSA-N	321.768	1.859	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1ccccc1-n1ccnc1	299155518	BMPIKKNMTMFGMC-UHFFFAOYSA-N	315.377	1.749	50	20	DDGD	
CC(=O)c1ccc(CC(=O)NNC(=O)[C@H]2CCCCO2)cc1	295392262	LNWLWGWTSXJHFT-CQSZACIVSA-N	304.346	1.148	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCNC(=O)C2CC2)cc1	297951594	WANWRKRDDPFVEP-UHFFFAOYSA-N	306.366	1.238	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)c1ccccc1	293821411	FLEPGQHBMUNZOJ-DETPVDSQSA-N	306.362	1.263	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cncs1	807310955	BTHONOHMULXJGN-UHFFFAOYSA-N	300.343	1.628	50	20	DDGD	
Cc1nc(C2CC2)nc(S)c1C(=O)NNC(=O)NC(C)C	294769014	QVQYFNZUMRZHLI-UHFFFAOYSA-N	309.395	1.304	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cccc2c1OCCCO2	298744739	DAWIGNYDCRFHBF-JLHYYAGUSA-N	302.330	1.517	50	20	DDGD	
Cc1ccc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1F	298114043	XTPZHDUBSMOWDP-GFCCVEGCSA-N	314.382	1.240	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N=c2cc[nH]cc2)c(F)cc1F	802029442	NGBJGOHXYYCRSG-UHFFFAOYSA-N	306.272	1.557	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(C2CC2)cnc1Cl	295662735	WDTGVPLNGRIIAA-GFCCVEGCSA-N	323.780	1.943	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCCC2)NNC(=O)N=c1cc[nH]cc1	802033670	IZCVEAFMRSGJJR-UHFFFAOYSA-N	324.384	1.778	50	20	DDGD	
CCC[C@H](C)C(=O)NCCNC(=O)NNc1cccc(OC)n1	292474344	BGDBKAADNPPVRJ-NSHDSACASA-N	323.397	1.269	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NNc2nc(O)c3cnn(C)c3n2)C[C@H]1C	294964783	PRTDBYVYTCUASF-BBBLOLIVSA-N	318.381	1.584	50	20	DDGD	
CN(C)C(=O)c1cccc(C(=O)NNc2ncncc2F)c1	817082846	NUOZKJJEGOMTNH-UHFFFAOYSA-N	303.297	1.074	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccccc1NCc1ccco1	816770200	NJKNXXDDXARJFY-UHFFFAOYSA-N	312.333	1.777	50	20	DDGD	
CCC[C@@H]1C[C@H]1C(=O)NNC(=O)[C@H]1COc2ccccc2O1	812448299	XOQUETPWWRGLME-JTNHKYCSSA-N	304.346	1.410	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)CCc2ncccn2)o1	812489498	SZBJMNTUDJAIRW-UHFFFAOYSA-N	300.322	1.536	50	20	DDGD	
CC[C@]1(CNC(=O)NNC(=O)C(C)C)OCCc2ccccc21	811926029	KADTVQRYZHAZGV-QGZVFWFLSA-N	319.405	1.851	50	20	DDGD	
O=C(CCCC1CC1)NNC(=O)Cn1cnc2ccccc21	812452223	QMJQEVSWXGFMEU-UHFFFAOYSA-N	300.362	1.764	50	20	DDGD	
CC1(C)CC(=NNC(=O)N2CCOCC2)c2cc(O)ccc2O1	814820875	DZMOUDAMWUTCOW-UHFFFAOYSA-N	319.361	1.699	50	20	DDGD	
O=C(CCC(=O)c1ccc(Cl)cn1)NNc1ncncc1F	817079382	CWUZWOTZDSEYNJ-UHFFFAOYSA-N	323.715	1.770	50	20	DDGD	
CC(C)[C@H](NC(=O)NNc1cccc(Cl)n1)c1nncn1C	814331900	RNTKEFGIWTVCNJ-NSHDSACASA-N	323.788	1.887	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccc(Cn2cncn2)cc1	817082270	RVYKGHKQWMQGPY-UHFFFAOYSA-N	313.296	1.012	50	20	DDGD	
C=CCC(C)(C)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	814102140	KZJWVYOCEMCZKE-UHFFFAOYSA-N	304.346	1.821	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@H]2C[C@H]3C=C[C@H]2CC3)n1	817167431	PCZSWZGFGKKGQQ-MELADBBJSA-N	314.389	1.936	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNC(=O)COCc1ccccc1	810424434	QTYMYUSXSYIPSS-UHFFFAOYSA-N	322.364	1.575	50	20	DDGD	
CC(C)NC(=O)NN=Cc1ccc(N2CCOCC2)c(F)c1	727257638	VQQDNRSGVAIUJK-UHFFFAOYSA-N	308.357	1.704	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CC3CCC2CC3)n1	814247899	BHGLBXJZGJAWNZ-JXQTWKCFSA-N	304.394	1.474	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)c2ccncc2)cc1	729690519	AMVFNROOZQJGCV-UHFFFAOYSA-N	315.402	1.779	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CNC(=O)COc1ccccc1	816628624	DIESIAVULULXTO-UHFFFAOYSA-N	319.188	1.444	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)COc1ccc(F)cc1)C1CC1	822571483	BLZHBKOFUXVBSR-ZDUSSCGKSA-N	309.341	1.724	50	20	DDGD	
Cc1cc(C)n(CCCC(=O)NNC(=S)N[C@@H](C)C2CC2)n1	824446504	LYRHJMKNRYRENH-LBPRGKRZSA-N	323.466	1.574	50	20	DDGD	
O=C(CNc1ccccc1)NN=Cc1ccc(-c2nn[nH]n2)o1	823014443	MUFSQNJPPTWADH-UHFFFAOYSA-N	311.305	1.022	50	20	DDGD	
COc1ccc2nc(NNC(=O)[C@H]3C[C@@H](O)C3)c(C)cc2c1	821760323	COTQKUCMYWAEMT-TXEJJXNPSA-N	301.346	1.766	50	20	DDGD	
O=C(C[C@H]1CSc2ccccc2O1)NNC(=O)NCC1CC1	825421435	XFDWQMKDSFZBDG-NSHDSACASA-N	321.402	1.670	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	491053436	YLDAGCBTIJQJSS-UXBLZVDNSA-N	302.246	1.712	50	20	DDGD	
COCCC1(CNC(=O)/C(C#N)=C\c2cnn(C)c2)CCC1	491127462	BGBHRFGBFKPGRN-ZSOIEALJSA-N	302.378	1.650	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	820631266	WPVRTTVIZNXBAR-AAEUAGOBSA-N	321.352	1.725	50	20	DDGD	
COc1ncc(/C=C/C(=O)NNc2nc(C)cc(C)n2)cn1	492740717	RRAHYWJLJOWNQW-SNAWJCMRSA-N	300.322	1.049	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	825075505	OQWJEWNDHPJANZ-MRVPVSSYSA-N	323.357	1.236	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N[C@@H]1CCN(C(N)=O)C1	490877967	NERPZSMUTXTLKT-LWMSPQMPSA-N	302.309	1.002	50	20	DDGD	
COC(=O)N(C)NC(=O)CCOc1ccc(F)c(Cl)c1	497153043	SDPBKHPBYWDTTB-UHFFFAOYSA-N	304.705	1.977	50	20	DDGD	
Cc1ccc(Br)cc1CC(=O)NN(C)C(N)=O	827612362	HOAUAFGUMLTGII-UHFFFAOYSA-N	300.156	1.342	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccncn1)CNC(=O)OC(C)(C)C	495919096	BEBMWFLSMDLBDA-JTQLQIEISA-N	324.385	1.264	50	20	DDGD	
CC(C)[C@H]1N(C(=O)c2cc(B(O)O)ccc2F)CC12CCC2	584993104	VZBAECZRHHTYDL-CQSZACIVSA-N	305.158	1.156	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)[C@H]2CCCCO2)cc(Cl)n1	820937166	SFQJWJJTUNNVBK-LLVKDONJSA-N	311.769	1.628	50	20	DDGD	
COC(=O)N(C)NC(=O)CSc1nccn1C(C)(C)C	495824532	XAYQUPGDKRGRKO-UHFFFAOYSA-N	300.384	1.460	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	822197147	MMUIVPWOUUONGF-NJVMCNKBSA-N	318.417	1.941	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNc2nc(-c3cccnc3)no2)c1	728078599	MAJKJVUILXFRII-UHFFFAOYSA-N	312.289	1.419	50	20	DDGD	
CC(C)C[C@H]1CCCCN1C(=O)c1cc(B(O)O)ccc1F	584957639	HGHPTNNOKJKGDZ-CYBMUJFWSA-N	307.174	1.546	50	20	DDGD	
Cc1ncccc1C=NNC(=O)c1nn(C)c(=O)c2ccccc12	728778926	IUOSYNOQFSLDMI-UHFFFAOYSA-N	321.340	1.401	50	20	DDGD	
Cc1cc(Br)ccc1C(=O)NN(C)[C@H](C)CO	823970388	GKNRDURSQGHIAW-SECBINFHSA-N	301.184	1.715	50	20	DDGD	
CNS(=O)(=O)c1cccc(NC(=O)NN(C)C2CC2)c1C	824246330	AWUTVIQUPLUBET-UHFFFAOYSA-N	312.395	1.034	50	20	DDGD	
CC(C)c1csc(CNCc2ccc(B(O)O)cc2F)n1	585028709	OXHKNBAUBHPXKB-UHFFFAOYSA-N	308.187	1.375	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H]1CCN(c2ccccc2)C1	828519561	SQTAIBNXNXRYTG-LBPRGKRZSA-N	313.361	1.455	50	20	DDGD	
COC(=O)CCCC(=O)NNC(=O)Nc1ccc(Cl)cc1	822761001	YLHAFIXXCUUTRU-UHFFFAOYSA-N	313.741	1.836	50	20	DDGD	
C[C@@H](CNC(=O)/C(C#N)=C\c1cnn(C)c1)N(C)c1ccccc1	491045347	DWQWERWGGVUVRG-CIKBWMHTSA-N	323.400	1.968	50	20	DDGD	
COc1ccc(CN(C)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	827315967	XCWWRDCCAXPPOM-SMDDNHRTSA-N	321.377	1.293	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1cc2ccccc2n(C)c1=O	490940971	JWVVAXPSXKEZGM-KAMYIIQDSA-N	311.341	1.599	50	20	DDGD	
Cc1nc2ccccc2n1CCCNCc1ccccc1B(O)O	585014218	KZVJIWBODLGETM-UHFFFAOYSA-N	323.205	1.204	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCCOc3cc(F)ccc32)cc1	585032117	BLIVCCIKHQDQBG-MRXNPFEDSA-N	315.153	1.509	50	20	DDGD	
Cc1cccc2c1N([C@@H](C)C(=O)NNC(=O)CC(C)C)CC2	732198186	WWFDLBUEJPMNHI-ZDUSSCGKSA-N	303.406	1.940	50	20	DDGD	
CCCNC(=O)NN=Cc1c[nH]c2ccc(C(=O)OC)cc12	731925667	PYMGJICASJOGJH-UHFFFAOYSA-N	302.334	1.998	50	20	DDGD	
CCOC(=O)c1nn(C)cc1C=NN(C)C(=O)OC(C)(C)C	495343192	SEQHMSPPHZHQQS-UHFFFAOYSA-N	310.354	1.798	50	20	DDGD	
O=C(CCC(=O)NC1CCCC1)NNc1ncc(F)cc1F	837208585	OGOUMNNPRRQSST-UHFFFAOYSA-N	312.320	1.642	50	20	DDGD	
CC1(NC(=O)c2cc(B(O)O)ccc2F)CCC(F)(F)CC1	584973116	LXYQXQVADQGPLM-UHFFFAOYSA-N	315.100	1.203	50	20	DDGD	
CC(C)(O)[C@H](Oc1ccccc1)C(=O)N1CC=C(C#N)CC1	831488574	TXHKLIFWYNWCSM-OAHLLOKOSA-N	300.358	1.887	50	20	DDGD	
CCN1CCC(=NNC(=O)CNC(=O)OC(C)(C)C)[C@H](C)C1	494538478	HPYPTVFHEDNHMD-LLVKDONJSA-N	312.414	1.345	50	20	DDGD	
C[C@@]1(C(=O)Nc2nc(CC(N)=O)cs2)C[C@H]1Br	906362533	IIPVLGDTHBNPAK-LHLIQPBNSA-N	318.196	1.283	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNc1ccc(C(=O)O)cc1OC	833373883	HUFMVCDHAXFXJD-JTQLQIEISA-N	308.334	1.818	50	20	DDGD	
O=C1CC[C@H](CC(=O)NNC(=O)CCCc2ccccc2)CN1	836600414	UJPXVRUFEQZNNK-CQSZACIVSA-N	317.389	1.073	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2nn[nH]n2)c1C	731887381	JXBDQEKLKLNOMA-QPEQYQDCSA-N	313.365	1.251	50	20	DDGD	
CCCN(C)CC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	730103729	HQMRLEKWPSYVMH-NSHDSACASA-N	323.462	1.976	50	20	DDGD	
O=C(NC[C@H]1Cc2ccccc21)NNC(=O)[C@@H]1CCCCO1	837798926	DVLZNUGSBARZBI-OCCSQVGLSA-N	303.362	1.226	50	20	DDGD	
CC[C@H](O)[C@H](C)C(=O)NNc1ccnc(Br)c1	907449914	SZPXSQQQROPHFY-CBAPKCEASA-N	302.172	1.694	50	20	DDGD	
C=C(C)CCNC(=O)NNC(=O)[C@H]1COc2ccccc2O1	836578999	LMMRKKUKRLOCQH-CYBMUJFWSA-N	305.334	1.123	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1cc(C(F)(F)F)ccn1)C(C)C	832957820	RVCQQOFMKLQPBW-NSHDSACASA-N	318.299	1.704	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNc1ccc(C(F)(F)F)nn1	907123296	JIQCDNDGLGBUGM-KWQFWETISA-N	316.283	1.920	50	20	DDGD	
COC[C@@H](NCc1ccc(B(O)O)o1)c1cccc(Cl)c1	585041653	RVQFNEGRAZLUFZ-CYBMUJFWSA-N	309.558	1.090	50	20	DDGD	
CN(NC(=O)N[C@@H]1C[C@H]2CCCCN2C1=O)c1ccccc1	836691506	QYYJWAOAKBGQGW-ZIAGYGMSSA-N	302.378	1.490	50	20	DDGD	
CC[C@@H]1C[C@H]1CNC(=O)NNC(=O)c1ccc2c(c1)OCCO2	836593723	NZCZHVNKEMFCRX-PWSUYJOCSA-N	319.361	1.448	50	20	DDGD	
C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2ccc(B(O)O)cc2)o1	584926900	GBSUGRZFYOTQQY-NHYWBVRUSA-N	313.162	1.355	50	20	DDGD	
N#Cc1cccc([C@H]2CN(S(=O)(=O)CCl)CCO2)c1	830977698	XVTJKEULUFSUHQ-GFCCVEGCSA-N	300.767	1.458	50	20	DDGD	
CC(C)(C)OC(=O)NNS(=O)(=O)c1cccc2ccncc12	901820720	CWZFPOOEZQKKQC-UHFFFAOYSA-N	323.374	1.953	50	20	DDGD	
COC(=O)[C@H](C)n1cccc1C=NNC(=O)[C@H]1CCCCO1	834985310	HSYBQJGKLMDHER-WCQYABFASA-N	307.350	1.241	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC2CCOCC2)c1F	837739045	RJNLOSQDZJUHIP-UHFFFAOYSA-N	311.313	1.417	50	20	DDGD	
Cc1cn2c(/C=C(/C#N)S(=O)(=O)N(C)C)c(C)nc2s1	588615777	DFLZMSQOACUIMR-YHYXMXQVSA-N	310.404	1.769	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cc(-c2ccco2)[nH]n1	918707167	BCZSKGUPAQUROR-UHFFFAOYSA-N	317.227	1.176	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1C[C@@]12CCNC2	831834154	BBXGZLHFACPIPY-TVQRCGJNSA-N	310.741	1.691	50	20	DDGD	
CCC(C)(C)OCCNC(=O)NNC(=O)Cc1ccncc1	836690712	VSQXDUNQPZFFAU-UHFFFAOYSA-N	308.382	1.160	50	20	DDGD	
Cc1nn(C(C)C)c(C)c1S(=O)(=O)NNC(=O)C(C)C	734419189	NCWZDLGCLUBAAI-UHFFFAOYSA-N	302.400	1.046	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@@H]1CCN1C(=O)OC(C)(C)C	832139226	SCQHHYAUZKVGIS-WEHUKYGOSA-N	309.366	1.556	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)C1=NO[C@@H](c2ccccc2)C1	919685999	XTIHZGLPGBOTDJ-CQSZACIVSA-N	310.313	1.360	50	20	DDGD	
O=C(NNC(=O)c1ccc2n[nH]cc2c1)NC1CCCCC1	746579156	CIVTVASWHSQOGK-UHFFFAOYSA-N	301.350	1.840	50	20	DDGD	
COCC(=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1)C(C)C	741457785	ZRRBONDETJJYDR-MGPQQGTHSA-N	313.442	1.506	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	831048004	ZMFDWDIANVWQFB-GXSJLCMTSA-N	322.321	1.481	50	20	DDGD	
O=C(NN=Cc1cccc(F)c1)c1ccc(-n2cnnn2)cc1	916349836	KPBSUPPYFORIHQ-UHFFFAOYSA-N	310.292	1.565	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cnc(-c2ncccn2)s1	749487179	NKCIXGAJRIWXCT-UHFFFAOYSA-N	317.374	1.551	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1csc(Nc2ccccn2)n1	910161910	ABORSZCBGFAUHB-VIFPVBQESA-N	307.379	1.239	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccc(-n2cccn2)nc1	748004374	CYPPLCUZUJLQEJ-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
Cn1ncc2c1CCCC2=NNC(=O)COc1ccccc1C#N	915948496	NPKFNSZPZSDSML-UHFFFAOYSA-N	323.356	1.527	50	20	DDGD	
CC(=NNC(=O)CCc1ccccc1)c1c(C)nc(O)nc1O	749745610	SESUEKNHFSNVLG-UHFFFAOYSA-N	314.345	1.669	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NN=C2CO[C@@H](C)C2)n[nH]1	842528574	KGOZNVFXROJAKO-JTQLQIEISA-N	314.345	1.980	50	20	DDGD	
O=C(CCCOc1cccnc1)NNC(=S)NCC1CCC1	743822657	BIOGOTOQXVHWLP-UHFFFAOYSA-N	322.434	1.536	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C2CCCn3ccnc32)c1	848401020	RFYNMCHGCCTBKV-UHFFFAOYSA-N	314.345	1.828	50	20	DDGD	
COCC1(CC(=O)NNC(=O)CSc2ccccc2O)CC1	843840882	HFAQWVIZBPCIQO-UHFFFAOYSA-N	324.402	1.448	50	20	DDGD	
CC(C)(C)OC(=O)Cn1cccc1C=NNC(=O)C(F)F	841633475	WVZNGTNNGAWTPM-UHFFFAOYSA-N	301.293	1.545	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1occc1Br	843653684	OBQUOIJTAOMECV-RQJHMYQMSA-N	317.139	1.228	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H](C)CN2CCC(C)CC2)n(C)n1	841614065	GAEFUXMIBYZZGI-CYBMUJFWSA-N	305.426	1.547	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCCC(=O)N2C)c1C	912451313	IRUJSEJDBCTRGC-CYBMUJFWSA-N	319.361	1.236	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C[C@H]2CCOC2)c(C)c1	740086266	XZMTZRYIYRFSBM-CYBMUJFWSA-N	305.378	1.289	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNC(=O)c1cccc2ccccc12	741695315	BEMJCEHSZACTOT-NSHDSACASA-N	313.357	1.516	50	20	DDGD	
CCn1ccc(CC(=O)Oc2ccc([N+](=O)[O-])cc2OC)n1	844363126	NMEFKVZQWCAXCL-UHFFFAOYSA-N	305.290	1.968	50	20	DDGD	
CCn1ncnc1C=NNC(=O)[C@@H](C)Oc1ccccc1F	848403191	QLJDZHSXBQCYNC-SNVBAGLBSA-N	305.313	1.355	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(C)nc1C	843660245	WBQADODLGHTUSG-RYUDHWBXSA-N	319.361	1.087	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2ccc(C(=O)O)[nH]2)c(OC)c1	749816225	ZGAOVOGAHSIMCJ-UHFFFAOYSA-N	317.301	1.494	50	20	DDGD	
CCC(C)(C)N1CCN(S(=O)(=O)CBr)CC1	848482727	RGCWSNJUQFVJSR-UHFFFAOYSA-N	313.261	1.475	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	746782668	WVOQRUHEFJXDQG-GFCCVEGCSA-N	312.391	1.606	50	20	DDGD	
CCN1C[C@H](NC(=O)NNc2ccc(Cl)cc2C)CC1=O	922724482	SSLAZNDXASDYPD-LLVKDONJSA-N	310.785	1.895	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H]2CCN(CC(F)F)C2)n1	841594124	HUMAXGHPDIPVQC-VIFPVBQESA-N	315.324	1.056	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1cc2ccccc2nc1O	743468379	DUGIYBQKTNCZGP-UHFFFAOYSA-N	321.300	1.364	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1C[C@H](C)[C@@H](C)[C@H]1C	842165867	GVQDWGGKRZOWHB-RRFJBIMHSA-N	317.433	1.661	50	20	DDGD	
COCCN(CC#N)S(=O)(=O)c1ccc(CCCl)cc1	840949071	NEXMMSKWCAMJGK-UHFFFAOYSA-N	316.810	1.629	50	20	DDGD	
Cc1cc(=O)c(C(=O)NC[C@]2(C)C[C@H]2Br)cn1C	857388814	WFUPJTDXRPZMML-YPMHNXCESA-N	313.195	1.597	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cnn(C2CC2)c1	859303457	PKWDAYXOQNPIAL-UHFFFAOYSA-N	300.318	1.301	50	20	DDGD	
CCCc1csc(NC(=O)NNC(=O)c2cnccn2)n1	757923573	QXZCZVFJTCCNHF-UHFFFAOYSA-N	306.351	1.352	50	20	DDGD	
CCOc1cc(C(=O)N(C)C)ccc1NC(=O)NNC(=O)CC	756867673	AKUHMMLLEYVNOV-UHFFFAOYSA-N	322.365	1.350	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)NCC[C@H](C)N)c1C	857114515	QTKZONIAZSXVMC-AAEUAGOBSA-N	322.409	1.138	50	20	DDGD	
Cn1cc(N2C[C@@H](C(=O)NNc3ccc(F)cc3)CC2=O)cn1	858279530	HNECHHZNFYMVRO-JTQLQIEISA-N	317.324	1.055	50	20	DDGD	
CC1(C)OCC(NC(=O)NNc2c(F)cc(F)cc2F)CO1	921950331	ZJTMOSLFGKNOOO-UHFFFAOYSA-N	319.283	1.882	50	20	DDGD	
CNC(=O)c1cccc(NC(=O)NNC(=O)CC(F)(F)F)c1	755515236	QQWCUFRMBDNCDN-UHFFFAOYSA-N	318.255	1.151	50	20	DDGD	
C#CCOc1ccc(C=NNC(=O)C(=O)Nc2ccccn2)cc1	758387667	QEWXQYUOWTVNRT-UHFFFAOYSA-N	322.324	1.182	50	20	DDGD	
C[C@]1(CNC(=O)N=c2cc[nH]cc2F)C[C@@H]1Br	856851765	ULXVDYIUQZKVLN-GXSJLCMTSA-N	302.147	1.938	50	20	DDGD	
CNC(=S)N(C)NC(=O)C[C@H](C)C(=O)c1cccc(F)c1	854924699	OASZFVBAQCJAFA-VIFPVBQESA-N	311.382	1.502	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)C(F)F)C1	753669458	NAECSEDDRRWXKP-QMMMGPOBSA-N	321.324	1.046	50	20	DDGD	
C[C@@H](C(=O)NNc1ncc(Cl)cn1)C(=O)OC(C)(C)C	857358706	GJRTWOXMUGHTBG-ZETCQYMHSA-N	300.746	1.551	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@]2(C)CCOC2)cc1C	754351900	SWIOVKJBBAJIHX-INIZCTEOSA-N	306.362	1.256	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCC1(N)CCCC1)c1ccccc1	851671827	UYFLHZYGDNDZBM-CQSZACIVSA-N	318.421	1.782	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@@H](C)C(F)(F)[C@H](C)C1	859414053	UTZFPYIRWLBCRS-UTUOFQBUSA-N	319.396	1.792	50	20	DDGD	
CCCn1nc(C)c(C(=O)NNC(=S)N[C@H](C)C2CC2)c1C	855098932	OLCYVEIYGCARNL-SECBINFHSA-N	323.466	1.817	50	20	DDGD	
COC/C=C\C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	866874880	QCHAIRYTKDCKSO-IHWYPQMZSA-N	320.317	1.329	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2c3c(nn2C)CCCC3)c1	862478851	SWLKQRCZARZMHB-UHFFFAOYSA-N	318.402	1.744	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CN(C)C2CCC2)c1F	863924369	BNROVSAHUJXXTE-UHFFFAOYSA-N	309.341	1.540	50	20	DDGD	
CC(=NNC(=O)N(C)C)c1cc(Br)ncc1F	762426324	PBEVMQBJZODIDW-UHFFFAOYSA-N	303.135	1.978	50	20	DDGD	
COC[C@H]1CCCCN([C@H](C)C(=O)NNC(=O)CC(C)C)C1	767940770	MFDFRQBRWJAQEO-KGLIPLIRSA-N	313.442	1.317	50	20	DDGD	
COc1ccc(NC(=O)NNc2nccnc2OC)cc1F	764620550	NYSAGBMUMAAUMP-UHFFFAOYSA-N	307.285	1.782	50	20	DDGD	
CC(C)(C)C(=O)NCCC(=O)NNCC(F)(F)C(F)(F)F	863091331	GBIOWXLPKFOACR-UHFFFAOYSA-N	319.274	1.357	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccn(-c2ccc(F)cc2F)n1	768408695	AFHFFDNTBUWKDS-UHFFFAOYSA-N	323.303	1.457	50	20	DDGD	
CC(F)(F)CCC(=O)NNc1nccc(N2CCOCC2)n1	762865706	LZAIHYFYWHVERF-UHFFFAOYSA-N	315.324	1.192	50	20	DDGD	
CCC[C@@H](C(=O)NNc1cccc(F)c1Cl)S(N)(=O)=O	862508691	WZJGKXZCZSYTSC-VIFPVBQESA-N	323.777	1.379	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)c2cncnc2)cc1	760812357	CLKPZLQLFMPJMK-UHFFFAOYSA-N	316.390	1.174	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)c1ccnnc1	762372653	BWNAVSFHNJFYSW-UHFFFAOYSA-N	318.358	1.039	50	20	DDGD	
CC#CCCCC(=O)OCC(=O)NNC(=O)c1cccc(C)c1	767672098	JZQOYXJENDPRAC-UHFFFAOYSA-N	316.357	1.493	50	20	DDGD	
COC[C@@H](C)Oc1ccc(C=NNC(=O)c2cn[nH]c2)cc1	863152276	NTMVWDICZPKHEA-LLVKDONJSA-N	302.334	1.587	50	20	DDGD	
CCOc1cccc(C=NNC(=O)C(=O)NC(CC)CC)n1	763171034	APWWSXGFEYIZCW-UHFFFAOYSA-N	306.366	1.235	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cnc3[nH]cnc3c2)n1	764371848	LJBWSZPNVPKUAI-UHFFFAOYSA-N	303.713	1.467	50	20	DDGD	
C[C@@H]1CCC[C@H](C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1	768360087	JZFIWJAURMZBDQ-WOPDTQHZSA-N	301.412	1.285	50	20	DDGD	
COCC(=O)NN=Cc1cc(Br)cc(OC)c1O	761822049	ULJKCTYYNAJWII-UHFFFAOYSA-N	317.139	1.260	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)c1ccoc1Cl	764980831	DRHGNRWUVFFPFW-UHFFFAOYSA-N	310.693	1.479	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])c(O)c1	768505483	SSQNGGSRSIQYOP-UHFFFAOYSA-N	313.273	1.934	50	20	DDGD	
CC(C)COC[C@@H](O)CNC(=O)[C@H](Br)C(C)(C)C	768264972	PDRUNHGVLOIYHE-QWRGUYRKSA-N	324.259	1.946	50	20	DDGD	
C[C@@H]1C(=NNC(=O)c2cccnn2)CCN1Cc1ccccc1	1119358488	YJXCHZLBQZJWNR-CYBMUJFWSA-N	309.373	1.857	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2NC(=O)O[C@@H]2C)c(C)c1	873759511	VQYOJWSERPRVQT-KOLCDFICSA-N	322.390	1.118	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C2(O)CCCC2)c1	874950953	ZJPYHQFGJMXILA-UHFFFAOYSA-N	303.387	1.291	50	20	DDGD	
COc1ccccc1C(=O)NN=Cc1c(C)nn(CCO)c1C	1116016588	XRLSWLRKANLGDO-UHFFFAOYSA-N	316.361	1.265	50	20	DDGD	
NC(=O)C(=O)NN=Cc1ccc(Cl)c(Br)c1	776182633	BXYAKCSIVNEQCI-UHFFFAOYSA-N	304.531	1.038	50	20	DDGD	
Cc1nc(NC2CC2)sc1C(=O)NNC(=O)c1ccc[nH]1	770951189	PGMKBGBIJVDGQF-UHFFFAOYSA-N	305.363	1.429	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@](C)(O)C1CC1	873769198	MJTLBJFXGURPAZ-AWEZNQCLSA-N	309.391	1.174	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc2c(c1)CCC(=O)N2C	878630646	HFLKWZUIBHDSMZ-UHFFFAOYSA-N	306.366	1.210	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccc(C#N)cc2)c(O)n1	773702222	QQHSPPVCLRSJHN-UHFFFAOYSA-N	311.301	1.049	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C[C@H]1CC[C@@H](C)C1	772186833	RJYLWEIBSZGTPY-AGIUHOORSA-N	312.410	1.938	50	20	DDGD	
COCCCOCCC(=O)NNc1c(F)cc(F)cc1F	885153813	QQZSWHVADDAMJH-UHFFFAOYSA-N	306.284	1.990	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2ccc(C)nc2Cl)ncn1	1120780125	USCAGYAXYRGOEB-UHFFFAOYSA-N	320.740	1.224	50	20	DDGD	
C[C@H]1C[C@@H](CCNC(=O)NNc2ccc(C#N)cn2)CCO1	888791358	KYDJXLMDLIHOQN-RYUDHWBXSA-N	303.366	1.785	50	20	DDGD	
O=C(CN1CCCCCC1=O)NNc1c(F)cc(F)cc1F	885149503	SDQLCKJFCDJLQA-UHFFFAOYSA-N	315.295	1.950	50	20	DDGD	
CO[C@]1(C(=O)NNC(=O)C(C)(C)c2ccccc2)CCSC1	888867491	PFZBICXMUYAIQT-MRXNPFEDSA-N	322.430	1.634	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCCn2cccn2)c1	780791786	OSUOVLJEZWJUIF-UHFFFAOYSA-N	302.334	1.593	50	20	DDGD	
NC(=O)[C@H]1CCC[C@@H](C(=O)NNc2cc(F)c(F)cc2F)C1	787134740	ZRHGFVVONAJZQE-JGVFFNPUSA-N	315.295	1.839	50	20	DDGD	
Cc1cccc(NNC(=O)c2cc([C@@H]3CCCN3C)[nH]n2)n1	899127125	CNVZYYQZRNCULH-ZDUSSCGKSA-N	300.366	1.637	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@H]1C[C@@H](C(C)=O)C1(C)C	780986702	BVTMGZZJKQWACK-VHSXEESVSA-N	317.480	1.096	50	20	DDGD	
CC(=O)Nc1ccc(CC(=O)NNc2ccnc(F)c2)cc1	781363043	IMTGHYQFCLSZQN-UHFFFAOYSA-N	302.309	1.865	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(C)cc1O	892926174	INWLLXUZRJFCDM-JSGCOSHPSA-N	304.346	1.443	50	20	DDGD	
Cc1cc(=NNC(=O)Cc2ccn(CC(F)(F)F)n2)cc[nH]1	899538085	GXNOBSYGQKBTQL-UHFFFAOYSA-N	313.283	1.257	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2cnn(CC3CCC3)c2)nn1	896961775	KBBAMGDNCGYULK-UHFFFAOYSA-N	315.381	1.608	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNc2cccc3c2CCCC3)n1	782017198	RWGGGTSDQIRERZ-UHFFFAOYSA-N	310.357	1.816	50	20	DDGD	
CCCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccsc1	785453390	IEEIBBQZEVSRLC-SECBINFHSA-N	317.436	1.306	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ncc(F)cn2)cc1F	784949301	KITZAUOQKYAEOA-UHFFFAOYSA-N	307.260	1.145	50	20	DDGD	
COC(=O)c1cccc(/C=C(/C#N)C(=O)[C@H]2CCCOC2)n1	899370808	BGCMZIOQTLMMAW-LCFDYFRESA-N	300.314	1.771	50	20	DDGD	
Cc1cnc(COCC(=O)NNC(=O)c2ccc(Cl)nc2)o1	795301433	YOQLEWBBBLBVEI-UHFFFAOYSA-N	324.724	1.009	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1noc(-c2cccc(F)c2)n1	798306574	MFWHIWMPXRCCQJ-UHFFFAOYSA-N	321.337	1.171	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1ccc(S(C)(=O)=O)nc1	790596787	LXPRFEOOGVLTCZ-UHFFFAOYSA-N	321.362	1.337	50	20	DDGD	
O=S(=O)(CBr)NC[C@@H](CO)CC1CCCC1	798473696	OUZPQLJGZOSVGA-JTQLQIEISA-N	314.245	1.447	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1	798116495	QCOAQFZDDKRFKW-AULYBMBSSA-N	309.341	1.439	50	20	DDGD	
O=C(CN1CCC[C@H]1[C@@H]1CCCO1)NNC(=O)c1cccs1	792923321	FEEOCCREWUULQM-RYUDHWBXSA-N	323.418	1.153	50	20	DDGD	
O=C(CCO)NN=Cc1cc(Cl)ccc1Br	1319072936	JDAVUZOVLGGXNV-UHFFFAOYSA-N	305.559	1.935	50	20	DDGD	
Cn1ncc2c1CCCC2=NNC(=O)c1n[nH]c2c1CCCC2	1318981073	GWEFCPPFTKEREG-UHFFFAOYSA-N	312.377	1.492	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NC/C=C/C1CC1	1328211569	CACNJLUJXMYIRY-SNAWJCMRSA-N	303.362	1.534	50	20	DDGD	
Cn1ccc(NNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)n1	1326192004	FLSRGWXCLBXBOC-JTQLQIEISA-N	317.324	1.055	50	20	DDGD	
CC(=NNC(=O)C[n+]1ccccc1)c1cccc(-n2ccnn2)c1	1324049001	DUBKVCPSXYBIFD-UHFFFAOYSA-O	321.364	1.095	50	20	DDGD	
CC(=NNC(=O)c1ccc(O)cc1)C1CCS(=O)(=O)CC1	1255262682	WUJMUSCZELONDR-UHFFFAOYSA-N	310.375	1.323	50	20	DDGD	
CC(C)(C)c1ccc(NC(=O)NNC(=O)c2ccncc2)nn1	1321038167	SDBGGAJXQNMMBD-UHFFFAOYSA-N	314.349	1.636	50	20	DDGD	
Cc1cnn(CC2CC2)c1NC(=O)NNC(=O)C1CCCC1	1337784753	FCHRFMIBZVNJKO-UHFFFAOYSA-N	305.382	1.944	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1nc(C(F)(F)F)cs1	1332701414	OHSSTPUQLCHBBM-UHFFFAOYSA-N	312.273	1.574	50	20	DDGD	
Cn1c(C(=O)NNc2nncc(N)c2Cl)cc2ccccc21	1340554704	JPTOEPRGDWGASD-UHFFFAOYSA-N	316.752	1.961	50	20	DDGD	
O=C(CCc1cccc(O)c1)NNC(=O)NC1CCCCC1	1345508467	UBAYDXSUTFJKCN-UHFFFAOYSA-N	305.378	1.988	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@](C)(CC(=O)O)C2CC2)cn1	1600944666	BIHAOZAAFGOVLX-NVWZYQMFSA-N	302.334	1.087	50	20	DDGD	
Cn1cc2c(n1)CCC[C@@H]2C(=O)NNc1ccccc1C(=O)O	1608123064	LQFVJCVTGCIIQT-JTQLQIEISA-N	314.345	1.682	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1cccc(C(=O)O)c1	1601555897	RINLYQUCNLBUKD-UHFFFAOYSA-N	300.274	1.246	50	20	DDGD	
C/C=C\COC(=O)/C(C#N)=C/c1cc(-c2nn[nH]n2)n(C)c1C	1603965177	URSLIHNIQJSXLJ-HCRNJAACSA-N	312.333	1.540	50	20	DDGD	
Cc1cccc(NNC(=O)CCCn2ccc(C(=O)O)n2)c1	1600542441	OSSJYQPAZKSOAC-UHFFFAOYSA-N	302.334	1.813	50	20	DDGD	
O=C(COc1ccc(F)cc1)NN=C1CCC[C@H](C(=O)O)C1	1601343447	XMNRBAQXDVDRAM-JTQLQIEISA-N	308.309	1.952	50	20	DDGD	
NC1(CNC(=O)NNc2ccc(F)c(C(=O)O)c2)CCCC1	1608248560	LYRTVKMMUIPETJ-UHFFFAOYSA-N	310.329	1.422	50	20	DDGD	
Cc1cc(CCC(=O)NNc2ccc(C(=O)O)c(F)c2)n[nH]1	1600188272	JWGBPYANXKRCDN-UHFFFAOYSA-N	306.297	1.631	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H](C(=O)NNc2c(F)cccc2Cl)O1	1602177134	PBHFKNDJHGPKSL-BDAKNGLRSA-N	302.689	1.554	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)[C@@H]2C[C@H]2c2ccncc2)cc1	1602129308	YGYQPZAGQPPABY-LSDHHAIUSA-N	311.341	1.956	50	20	DDGD	
Cc1ccc(NNC(=O)c2cnn3c2CCCC3)cc1C(=O)O	1607809568	VLILGGUYLOAIJZ-UHFFFAOYSA-N	314.345	1.983	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1cnc(O)cc1C	1607140187	NVDLBPHNQGMQOS-UHFFFAOYSA-N	317.301	1.559	50	20	DDGD	
CCCCCCN(C)CC(=O)NNc1ccc(C(=O)O)cn1	1605267653	SFLOMANDGYIQKK-UHFFFAOYSA-N	308.382	1.735	50	20	DDGD	
CCC/C=C/[C@H](O)C(=O)NNc1cccc(-c2nn[nH]n2)c1	1604157200	XOPVGUXGZBMYEM-GXWOQWCDSA-N	302.338	1.027	50	20	DDGD	
O=C(NN=C[C@@H]1CCC(F)(F)C1)[C@H]1CN2CCC[C@H]2CO1	1549904611	KPWPOMWTQGQAQC-GRYCIOLGSA-N	301.337	1.387	50	20	DDGD	
COCC[C@H](C)CNC(=O)NNc1ccc(C(=O)O)cc1F	1610253278	UZRISTOXPJENKC-VIFPVBQESA-N	313.329	1.823	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)cc1	1549317902	XQOLFNUXMHSZQU-ZFWWWQNUSA-N	303.362	1.009	50	20	DDGD	
O=C(NN=C1CCC(C(=O)O)CC1)c1n[nH]c2c1CCCC2	1610699156	JVCWFRWXQQAHLY-UHFFFAOYSA-N	304.350	1.649	50	20	DDGD	
C#CC[C@H](CCOC)NC(=O)NNc1cccc(C(=O)O)c1F	1588393177	CNUNTZXNHYQEGV-SNVBAGLBSA-N	323.324	1.578	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@H]1CC[C@H](C2CC2)N1	1580743281	XNJUGHYNCXDBLW-CHWSQXEVSA-N	301.394	1.718	50	20	DDGD	
O=C(C[C@@H]1CNc2ccccc21)NNC(=O)[C@H]1CCCCO1	1580517287	KKOZXASGDZDAAJ-BXUZGUMPSA-N	303.362	1.302	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1ccc[nH]1)C2	1845166072	ZCNNGUXCCIDVMY-NSHDSACASA-N	309.797	1.849	50	20	DDGD	
C[C@@](O)(C(=O)NNc1ncccc1C(=O)O)c1ccccc1	1594231814	YYNTXBKETYGRBN-HNNXBMFYSA-N	301.302	1.131	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc(Cl)[nH]1	1593164643	FVZTYTGSEZBJJP-UHFFFAOYSA-N	303.713	1.605	50	20	DDGD	
C=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](F)Cl)C1	1847225454	XYOFIWNDUKZPDL-SRVKXCTJSA-N	300.761	1.689	50	20	DDGD	
CN(C)[C@H](C(=O)NNc1ncccc1C(=O)O)c1ccccc1	1593691803	ZXEZFZNSATYSKB-ZDUSSCGKSA-N	314.345	1.526	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc(C(=O)O)ccc1Cl	1591660914	PAWREKHUHUULDU-UHFFFAOYSA-N	315.782	1.556	50	20	DDGD	
O=C(O)[C@@H](C(=O)NNc1cccc(Br)n1)C1CC1	1594835090	COBAADQLIOBFIF-SECBINFHSA-N	314.139	1.398	50	20	DDGD	
CO[C@H](C(=O)O)C(=O)NNc1cc(C(F)(F)F)ccc1F	1593911945	VASRNOGMEFLBFO-QMMMGPOBSA-N	310.203	1.387	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=Cc1ccccc1OCC(=O)O	1776102630	UPPQLUUUNLWBDC-DGCLKSJQSA-N	306.318	1.025	50	20	DDGD	
CC(=O)N1CCO[C@]2(CCN(C(=O)[C@](C)(Cl)CCl)C2)C1	1781228684	ZAFUZTCRHPMDES-CHWSQXEVSA-N	323.220	1.073	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc(Cl)cc1F)C1CC1	153291077	NOPXGLRMUUOXCH-UHFFFAOYSA-N	313.760	1.724	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1C(=O)NNc1ncccc1[N+](=O)[O-]	153608555	ZKYNCIFCUZOZMJ-UHFFFAOYSA-N	317.261	1.963	50	20	DDGD	
CCCCS(=O)(=O)NCC(=O)NNc1ccc(F)cc1F	155267239	GXFQGDKMXOLOFI-UHFFFAOYSA-N	321.349	1.127	50	20	DDGD	
CCc1nn(C)c(CC)c1CNS(=O)(=O)CCCCCl	154839077	WFGGUSZMKGDSOR-UHFFFAOYSA-N	321.874	1.983	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccn(C3CCCC3)n2)n1	159009127	CMKGRCQWZWTCTI-UHFFFAOYSA-N	316.365	1.862	50	20	DDGD	
CN(C[C@H]1COCCO1)S(=O)(=O)c1ccc(CCl)cc1	917360043	YDORWVOPHOCUSX-LBPRGKRZSA-N	319.810	1.461	50	20	DDGD	
CO[C@@]1(C)CCCN(S(=O)(=O)CBr)CC1	366491602	KSERNUDFGRZPRZ-VIFPVBQESA-N	300.218	1.560	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccccc1)Cc1cccc(F)c1	7791357	ZTLDEMIXSMVVMW-UHFFFAOYSA-N	315.348	1.719	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1cccc(C(=O)NCCOC)c1	104327115	VUWLLYPJGZITPS-ACCUITESSA-N	317.345	1.445	50	20	DDGD	
O=C(CSCc1ccccn1)NNC(=O)Cc1cccnc1	103423539	CGYXVWQUFBGNGW-UHFFFAOYSA-N	316.386	1.100	50	20	DDGD	
COCCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)COC)cc1	170957496	QQPOPSRTTFLGMN-LERPTODRSA-N	318.373	1.770	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1cn(-c2ccccc2)nn1	114895374	BGKHZYBEOYJNIT-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)COc1ccccc1	55351900	BBDNTSSYKMSQHU-UHFFFAOYSA-N	314.341	1.464	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccc(F)c(F)c1	57360704	PVYHUERYXKDONP-UHFFFAOYSA-N	320.295	1.977	50	20	DDGD	
CNc1cc(C(=O)NNc2nc(C)cc(C)n2)cc(Cl)n1	109984586	CYSBEAAXROFVEX-UHFFFAOYSA-N	306.757	1.940	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1	21770660	NDHYXMOBSPASPP-LBPRGKRZSA-N	319.361	1.434	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1cccnc1Cl	103504391	WLRUVGQPOZCYQA-UHFFFAOYSA-N	305.725	1.525	50	20	DDGD	
CC(C)CNC(=O)NNC(=O)c1cccc(OC(F)F)c1	65189147	WXCSRWBFRLXLBC-UHFFFAOYSA-N	301.293	1.888	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CNC(=O)C(C)(C)C)c1ccccc1	110964535	QSMNRPOEYVYEPT-CYBMUJFWSA-N	319.405	1.490	50	20	DDGD	
CCNC(=O)CCC(=O)NNC(=O)c1ccc2ccccc2c1	110636619	ZLXBIRNJQJSJFJ-UHFFFAOYSA-N	313.357	1.517	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc(Cl)ccc1[N+](=O)[O-]	110758893	PATROASSUQINDJ-UHFFFAOYSA-N	323.696	1.355	50	20	DDGD	
Cc1ccc(NNC(=O)NCCC(=O)Nc2ccccc2)nn1	113629385	JCZZOCDDARVLPI-UHFFFAOYSA-N	314.349	1.440	50	20	DDGD	
COCCCNC(=O)NNC(=O)C1(c2cccc(C)c2)CC1	65204641	ZOJVSGLWIBVFCQ-UHFFFAOYSA-N	305.378	1.394	50	20	DDGD	
O=C(NNC(=O)c1ccc2nccn2c1)NC1CCCCC1	171911242	CTJMMCUTELYAOT-UHFFFAOYSA-N	301.350	1.611	50	20	DDGD	
Cc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cccn2C)cc1	61527827	GBNVHRGHDVAUMF-LBPRGKRZSA-N	301.346	1.562	50	20	DDGD	
CCN1CCO[C@@H](C(=O)NNc2ccc(OC(F)F)cc2)C1	122718978	CQWLARKKNSWIIH-GFCCVEGCSA-N	315.320	1.452	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)c2cc(C)no2)c1	67220121	OHSXJYQQQJDFBU-UHFFFAOYSA-N	300.343	1.596	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)Cc1cccnc1)C(C)(C)C	73148532	MYUXXYMGJHHVIE-LBPRGKRZSA-N	308.382	1.016	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1cc(C2CC2)[nH]n1	30518466	LONVRZJCFIAMGV-UHFFFAOYSA-N	302.309	1.430	50	20	DDGD	
C=CCCOCCNC(=O)NNC(=O)c1ccc(C#N)cc1	123227447	CBPNQEMGSKMDHE-UHFFFAOYSA-N	302.334	1.095	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)Nc2ccccn2)c1	183092602	HVBUTARAXJOBJJ-UHFFFAOYSA-N	306.347	1.634	50	20	DDGD	
COc1ccc(CNC(=O)NNc2cncc(Cl)n2)cn1	121830422	XLTLLFJGULWGMP-UHFFFAOYSA-N	308.729	1.360	50	20	DDGD	
COCCC1(CNC(=O)NNc2nc3ccccn3n2)CCC1	189573715	RXWXPXAVFXRHPW-UHFFFAOYSA-N	318.381	1.562	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N2CCOC3(CCC3)C2)cc1	126712377	DTBIZCKHFVRVMN-UHFFFAOYSA-N	314.345	1.168	50	20	DDGD	
O=S(=O)(CBr)N1CCCC2(CCOCC2)C1	371695155	FANGIKLQSINPKP-UHFFFAOYSA-N	312.229	1.561	50	20	DDGD	
COc1ccc2c(c1)C[C@@H](C(=O)NNC(=O)c1ccc[nH]1)CO2	124417725	UHAVXUCCUKNUSR-LLVKDONJSA-N	315.329	1.036	50	20	DDGD	
Cc1cccc(C)c1NC(=O)CNC(=O)NNC(=O)C(C)(C)C	79201889	KZBJPHVNNYQGKT-UHFFFAOYSA-N	320.393	1.618	50	20	DDGD	
C[C@@H](Sc1ccccc1Cl)C(=O)NNC(=O)CN(C)C	75653974	NAQFRASYMRJARI-SECBINFHSA-N	315.826	1.530	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)c1)N[C@H]1CCCOCC1	181759926	JLIRYOKGTVGILL-LBPRGKRZSA-N	311.769	1.853	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccc(F)cc1Br	190050881	KSCHTGBUTXEALR-UHFFFAOYSA-N	319.130	1.120	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)c2ccc(C)o2)cn1	84158466	MEDYWKJCNFJQRS-UHFFFAOYSA-N	302.334	1.478	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H](C)C(C)(C)CN(C)C)n1	85425160	ITIZHFNSIKSCDQ-SNVBAGLBSA-N	310.402	1.088	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)NC[C@H]2C[C@H]2C)cc1OC	47099074	NOEGPMDFEOFENF-ZYHUDNBSSA-N	321.377	1.694	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2cncc(Cl)n2)CN1C1CC1	130341352	XXVADOHRVPEVPM-IUCAKERBSA-N	310.789	1.381	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1cccc2ccn(C)c12	190056589	FFNPFTOIVFTUDJ-UHFFFAOYSA-N	311.345	1.983	50	20	DDGD	
O=C(COc1cccc([N+](=O)[O-])c1)NNC(=O)CC1CCCC1	195211237	DHRITQYEEMXRNB-UHFFFAOYSA-N	321.333	1.701	50	20	DDGD	
N#Cc1ccccc1/C=C\C(=O)NNC(=O)Cc1cccnc1	255165133	DINHZMRLWWQGPM-FPLPWBNLSA-N	306.325	1.357	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N=c2sccn2C)cc(C#N)n1C	255912026	GDIKUJWUHCISQA-DFRCNRDPSA-N	311.370	1.640	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ncccn1)N1C[C@@H](C)O[C@H](C)C1	254961709	HSQJUIPLMQJUHG-JHJVBQTASA-N	307.398	1.054	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]23)n1	268563409	SUYYMIRMDKQDEC-HBNTYKKESA-N	307.354	1.069	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=S)N[C@H](C)C2CC2)cc1	267566997	CERPRMVMPHXURK-SECBINFHSA-N	321.402	1.381	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(OCC(=O)N(C)C)cc1	269479229	NWOJZZWJMVUDBP-ZRDIBKRKSA-N	317.345	1.536	50	20	DDGD	
COCCCOc1cccc(C(=O)NNC(=O)NC2CC2)c1	266085600	OLUXKNYUTPDCQH-UHFFFAOYSA-N	307.350	1.208	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)cc1OC	263860627	ARXLULUHSBZJEQ-VIFPVBQESA-N	323.418	1.611	50	20	DDGD	
O=C(NCc1ccc2c(c1)OCCO2)NNC(=O)C1CCC1	264787954	ZVXXZBKJSBKVGH-UHFFFAOYSA-N	305.334	1.088	50	20	DDGD	
Cc1nn(C(F)F)c(C)c1CC(=O)NNC(=O)C1CCC1	264781792	QDXGLEXHHOWNKN-UHFFFAOYSA-N	300.309	1.385	50	20	DDGD	
C[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	264310796	LUENOXKWWDZPTM-SUNKGSAMSA-N	319.361	1.345	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CN(C)C(=O)OC)c1ccccc1	264684935	LVUVEGNGRBIREP-GFCCVEGCSA-N	307.350	1.026	50	20	DDGD	
O=C(NNc1cccc2c1CCCC2)[C@H]1CCCCS1(=O)=O	275051359	LQHSPRCHDSGIGU-OAHLLOKOSA-N	322.430	1.976	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNc2nc3ccccn3n2)no1	276845443	NKLCRKYMIVAUNX-UHFFFAOYSA-N	300.322	1.772	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNC(=O)[C@H]1COc2ccccc2O1	272098263	KXXFNTWUTWBMBV-BXUZGUMPSA-N	322.361	1.037	50	20	DDGD	
CN1C[C@H]2CN(C(=O)[C@H](Br)C(C)(C)C)C[C@H]2C1	365926871	GGRZCDWTDIYZFJ-AXFHLTTASA-N	303.244	1.816	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(C)c(C)c1	272400398	XMERPXMIUPWAHC-LBPRGKRZSA-N	309.366	1.508	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNC(=O)c1cccn1C	276574050	DGBJJGLZFJMQCF-UHFFFAOYSA-N	302.334	1.202	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccc(N2CCCCC2)cc1	274230908	QJJQYJLIEPOWOR-UHFFFAOYSA-N	320.349	1.003	50	20	DDGD	
Cc1ccc(NC(=O)CS[C@@H](C)C(=O)NN(C)C(N)=O)cc1	272216139	SJYYETUVZIHYPN-JTQLQIEISA-N	324.406	1.097	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(C(C)C)cc1	276334721	YCWSIXWPYXNYJU-UHFFFAOYSA-N	306.366	1.441	50	20	DDGD	
O=C(NNC(=O)C(=O)NCC1CC1)Nc1cccc(Cl)c1	283802800	WALSKBZLAZMHJK-UHFFFAOYSA-N	310.741	1.019	50	20	DDGD	
COCCN(C)NC(=O)Cc1cccc(Br)c1	288388587	JMTKTIVDJVONEA-UHFFFAOYSA-N	301.184	1.601	50	20	DDGD	
CC(C)n1cnc(C(=O)NNc2cccc(S(C)(=O)=O)c2)c1	282301851	LGLRRCMWUDZBCU-UHFFFAOYSA-N	322.390	1.624	50	20	DDGD	
COCC1(C(=O)NNc2nc(-c3cccnc3)no2)CCC1	283269048	APQKBPIIAHBUIM-UHFFFAOYSA-N	303.322	1.391	50	20	DDGD	
CCCN(NC(=O)C1=NN(C)C(=O)CC1)C(=O)OC(C)(C)C	286489689	MAOYSYJAARQUFG-UHFFFAOYSA-N	312.370	1.273	50	20	DDGD	
C[C@H]1C[C@@H](O)CCN1C(=O)NNC(=O)C(C)(C)c1ccccc1	292698091	NWMSHCSSJMBRGF-JSGCOSHPSA-N	319.405	1.550	50	20	DDGD	
Cc1cnc([C@@H](C)CNC(=O)NNC(=O)[C@@H]2CCCO2)s1	292300926	MXIXMRUTGPJQCC-WPRPVWTQSA-N	312.395	1.064	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@H]1CCCN(C(=O)C2CC2)C1	808246882	MRJNZTBMDFVWRP-JTQLQIEISA-N	307.221	1.897	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)Cn2cccn2)cc1C	291204982	MJAJJKZHOAPLSO-UHFFFAOYSA-N	302.334	1.512	50	20	DDGD	
O=C(CCCOCc1ccccc1)NNC(=O)[C@H]1CCCCO1	295587756	OWSZIRKOYNRFKV-OAHLLOKOSA-N	320.389	1.700	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1ccc2[nH]ccc2c1	296485943	PHQWJHMTWWJBPY-CYBMUJFWSA-N	302.334	1.890	50	20	DDGD	
O=C(NC[C@H]1CCOC1)NNC(=O)Nc1cccc(Cl)c1	296324653	LEZBAIPLROJADO-SECBINFHSA-N	312.757	1.712	50	20	DDGD	
CCc1nc(C(C)C)ccc1C(=O)NNC(=O)[C@@H]1CCCO1	293986700	LGDAXODWMNGAMQ-AWEZNQCLSA-N	305.378	1.707	50	20	DDGD	
CC(C)Oc1cccc(C(=O)NNC(=O)N=c2cc[nH]cc2)n1	802026498	SXLGFLSGKBJQKZ-UHFFFAOYSA-N	315.333	1.152	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)C(C)(F)F)cc1OC	292690733	PUMXLDHQXQBNBD-UHFFFAOYSA-N	316.304	1.900	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1cccc2c1COC2=O	808904915	NBOFNXITAFRNNL-UHFFFAOYSA-N	303.318	1.700	50	20	DDGD	
COCCN(C)NC(=O)[C@H](O)c1ccc(Cl)c(Cl)c1	297233241	YQGAPAGKSXEMLY-LLVKDONJSA-N	307.177	1.636	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=C1CCC[C@@H]1CCCF	800814147	PQXKVBSHPFXNSV-SECBINFHSA-N	310.329	1.452	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)N=c2cc[nH]cc2)CCc2ccccc2C1	802026496	FCDHKEQXHLQASU-SFHVURJKSA-N	324.384	1.851	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cncc(-n2ccnn2)c1	801967147	ZPJPBPPOZQKOOZ-UHFFFAOYSA-N	324.348	1.333	50	20	DDGD	
Cc1cnc(COC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)nc1	808499777	MQBBURBGCPGULS-CPSFFCFKSA-N	321.340	1.954	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Cc1ccsc1C	807372038	ZBXYKTDHQJMWKU-UHFFFAOYSA-N	314.407	1.536	50	20	DDGD	
CC(C)(C(=O)NNc1ncccc1F)n1cc([N+](=O)[O-])cn1	804218268	SOVIFCFYSCKMOQ-UHFFFAOYSA-N	308.273	1.204	50	20	DDGD	
CCc1cccnc1C(=O)NNc1ccc(-n2ccnc2)nn1	804954902	JKDOQMDFKCMADE-UHFFFAOYSA-N	309.333	1.377	50	20	DDGD	
CCN1CCCC[C@H]1CNC(=O)NNc1ncc(F)cc1F	297124395	GNTIZLTZADTJMQ-NSHDSACASA-N	313.352	1.860	50	20	DDGD	
O=C(NNc1nnc[nH]1)C1CCN(Cc2ccccc2)CC1	294017070	UOXDWJLTXJLOAV-UHFFFAOYSA-N	300.366	1.160	50	20	DDGD	
C[C@@H](Sc1ccccc1C(=O)NN=c1cc[nH]cc1)C(N)=O	801186633	NSTFJAJRVMOEJM-SNVBAGLBSA-N	316.386	1.226	50	20	DDGD	
Cc1c(NNC(=O)C(=O)c2ccc(O)cc2)cccc1[N+](=O)[O-]	807121152	RMQYZFUIBMNXPL-UHFFFAOYSA-N	315.285	1.935	50	20	DDGD	
COC[C@@H](C)OC(=O)/C(C#N)=C\c1ccc(O)c([N+](=O)[O-])c1	298794484	JSTPLIDNEHPEAK-QQCYMQAYSA-N	306.274	1.785	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1cnc(C2OCCO2)s1	807216345	USANGIQFJZEXGT-UHFFFAOYSA-N	310.310	1.480	50	20	DDGD	
CN(C)c1cccnc1CNS(=O)(=O)CCCCCl	290142376	MUWUEZRVUJKSIG-UHFFFAOYSA-N	305.831	1.586	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2cnn(C)c2N)cc1C	814720638	MIGXKHZSRPKMRT-UHFFFAOYSA-N	301.350	1.148	50	20	DDGD	
CC(C)(CCNC(=O)NNC(=O)c1ccc(C#N)cc1)C(=O)O	818622516	APSHUOVNPNPJAM-UHFFFAOYSA-N	318.333	1.003	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C[C@@](C)(OC)C1CC1	814719282	IAPSEISZZIEOKH-MRXNPFEDSA-N	306.362	1.991	50	20	DDGD	
Cc1cc(CC(=O)NN=C2CC[C@H](C(=O)O)C(C)(C)[C@H]2C)n[nH]1	814787989	XERMUSNSGSVPIV-CMPLNLGQSA-N	320.393	1.890	50	20	DDGD	
O=C(NNC(=O)c1cccc2ncccc12)NOC/C=C/Cl	811982346	SPWNUGZKFWKHIH-XVNBXDOJSA-N	320.736	1.863	50	20	DDGD	
COc1cccc(NCC(=O)NN=C(C)C[C@H]2CCC(=O)N2)c1	811634998	IRSKSWJMKKCBNS-CYBMUJFWSA-N	318.377	1.268	50	20	DDGD	
COc1cc(C(C)=NNC(=O)COc2ccccc2C#N)on1	814743491	IASFEBPWBUVZGO-UHFFFAOYSA-N	314.301	1.474	50	20	DDGD	
C=CCCn1cc(C(=O)NNc2cc(Cl)nc(C)n2)nn1	819575672	HMKVSFGLEIQLEX-UHFFFAOYSA-N	307.745	1.363	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=Cc1cccnc1Cl	814783625	PFZVBTDRNZMISE-UHFFFAOYSA-N	323.765	1.212	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H]2CCN(C)C2=O)cc1C	812721619	ZKTINSIHIJDLIF-ZDUSSCGKSA-N	319.361	1.093	50	20	DDGD	
NC(=O)c1ccc(CC(=O)NNc2cccc(Cl)n2)cc1	817008541	WLWFAKUXSSTANC-UHFFFAOYSA-N	304.737	1.520	50	20	DDGD	
CN(C)CC(=O)NN=Cc1ccc(O)c(Br)c1	727649101	CSZHRCGUZDVDOP-UHFFFAOYSA-N	300.156	1.166	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12	826447639	PIYJXISUFSWCSB-RBJBARPLSA-N	310.361	1.602	50	20	DDGD	
C[C@H](Cc1cccs1)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	825632603	BXQRZLDHHDGXNF-CKYFFXLPSA-N	311.407	1.435	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)[C@@H]1C[C@H]2CC[C@H]1C2	825535031	YHZDZQVPFAELHK-JAYDOHCTSA-N	309.410	1.567	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC(OC2CCCC2)CC1	827602461	VJBXRRRXMRSUPJ-UHFFFAOYSA-N	311.426	1.213	50	20	DDGD	
C[C@@H]1OC(=O)N[C@@H]1C(=O)NNc1cccc(C(F)(F)F)c1	496391970	KQLARFURNOISOW-RCOVLWMOSA-N	303.240	1.645	50	20	DDGD	
CC(C)C(=O)NNC(=O)CNC1(c2ccc(Cl)cc2)CC1	828688088	RITAVCKYVDAHPI-UHFFFAOYSA-N	309.797	1.722	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNc1ccccc1C(=O)OC)C(C)C	821719791	GYAMEZJKHZNPTK-CYBMUJFWSA-N	322.361	1.752	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(C)(C(=O)NN=c2cc[nH]cc2)C1	496662931	NCUUXOKVAYCAIB-UHFFFAOYSA-N	306.366	1.204	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Cc2cn(C)nc2C)cc1	822203933	WGHALAPZOZMEKC-UHFFFAOYSA-N	300.362	1.295	50	20	DDGD	
CCOC(=O)C[C@@H](NC(=O)NN=c1cc[nH]cc1)C(F)(F)F	824769073	PNDAGGNHOCDFIP-SECBINFHSA-N	320.271	1.014	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C	491528824	VZMWYLJLPFNLNG-QWRGUYRKSA-N	313.398	1.483	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNC(=O)COc1cc(C)ccc1C	820630151	KMQNPUQSRLDLCZ-AWEZNQCLSA-N	317.389	1.815	50	20	DDGD	
CC(C[C@@H](C)NC(=O)OC(C)(C)C)=NNC(=O)c1ccnnc1	497019155	IIERIRQWZMHBEB-SNVBAGLBSA-N	321.381	1.886	50	20	DDGD	
CN(C(=O)c1ccc(B(O)O)cc1)[C@H]1CCC[C@@H]1c1ccccc1	584997487	CZSZHWINKJGJLH-MSOLQXFVSA-N	323.201	1.775	50	20	DDGD	
OB(O)c1ccccc1CN[C@H]1CCC[C@@H]1Cc1ccccn1	585047181	JTSVIUGFKPWWPI-KDOFPFPSSA-N	310.206	1.262	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)c1cc2n(n1)CCCC2	825836216	WCUQNBXZEMYQOA-UHFFFAOYSA-N	308.345	1.920	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NC[C@@H]2C[C@H]2C2CCC2)cc1	822891215	IROVXKGQZXMVEB-GJZGRUSLSA-N	312.373	1.938	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)COc1ccccc1F	905104835	WFYQXZZRRORRMZ-NHYWBVRUSA-N	322.336	1.333	50	20	DDGD	
CCc1ccsc1C(=O)NNC(=O)COc1ccccc1O	730781486	OPIFKUCLOFHTDW-UHFFFAOYSA-N	320.370	1.856	50	20	DDGD	
COc1cccc(S(=O)(=O)NCCCSC#N)c1OC	907268180	KRCUFUVVWXGKDJ-UHFFFAOYSA-N	316.404	1.586	50	20	DDGD	
CCN(CCO)NC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F	823893380	HLINWYFOFJEAMZ-QQFIATSDSA-N	308.344	1.947	50	20	DDGD	
CCc1cccc2c1OCC[C@@H]2NCc1cccc(B(O)O)c1	585022248	LGCLLRCFTYRQLG-KRWDZBQOSA-N	311.190	1.542	50	20	DDGD	
COC[C@]1(CO)CCN(C(=O)[C@@]2(C)C[C@H]2Br)C1	909367848	INXDDPXZAGIVBH-ADEWGFFLSA-N	306.200	1.017	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)C1CCOCC1)c1ccc(F)cc1	905813989	BPCLVFMPNCIKIN-ZDUSSCGKSA-N	310.325	1.087	50	20	DDGD	
CCOc1ccc(NNC(=O)NC2CCN(C(C)=O)CC2)cc1	905152177	CZFHGHDAXWNFRU-UHFFFAOYSA-N	320.393	1.722	50	20	DDGD	
CCNC(=O)NNC(=O)c1cccc(Oc2cnccn2)c1	736549196	FMBYSCMVGQUANV-UHFFFAOYSA-N	301.306	1.233	50	20	DDGD	
C[C@H](c1nc(-c2ccc(B(O)O)cc2)no1)N1CCCCCC1	585053344	DUCVAUBRLXYKFF-GFCCVEGCSA-N	315.182	1.353	50	20	DDGD	
Cc1ccccc1C(C)(C)CNC(=O)c1cccc(B(O)O)c1	584937797	HEUWYGQEQUURRG-UHFFFAOYSA-N	311.190	1.382	50	20	DDGD	
O=C(NNc1ccc(F)cc1Br)[C@H](O)C1CC1	830772140	ZPQIMYKBYYUIHB-SNVBAGLBSA-N	303.131	1.802	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cnn(C3CCC3)c2)n1	901149664	NMMZJLPDYNKOGF-UHFFFAOYSA-N	300.366	1.572	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C1CCCC1)N1Cc2ccccc2C1=O	906085210	ISWZRITUSHGPBV-LLVKDONJSA-N	315.373	1.369	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(Cn3cccn3)o2)nc(C)n1	736716492	GNWXSYOJLYGUAA-UHFFFAOYSA-N	312.333	1.688	50	20	DDGD	
CSSCCNC(=O)c1nnn(-c2cnn(C)c2)c1C	831501736	SVDICBATDOTVAB-UHFFFAOYSA-N	312.424	1.050	50	20	DDGD	
CC1=NO[C@](C)(C(=O)NNC(=O)c2nc3ccccc3s2)C1	906125863	UJWAMGREQUAKKI-AWEZNQCLSA-N	318.358	1.612	50	20	DDGD	
O=C(CN[C@H](c1ccccc1)C(F)(F)F)NNC(=O)C1CC1	733194887	UNNGHEMOFWOGOT-GFCCVEGCSA-N	315.295	1.437	50	20	DDGD	
Cc1c(CC(=O)NNc2cccc(Br)n2)cnn1C	837213106	RYBQFJDAAPLKDR-UHFFFAOYSA-N	324.182	1.572	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	730278413	QUOXBXWOEGDOQW-LBPRGKRZSA-N	322.752	1.789	50	20	DDGD	
O=C(CNc1ccccc1F)NN=Cc1ccc(O)c(O)c1	915919021	HBUNUWQGEBATNC-UHFFFAOYSA-N	303.293	1.799	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)C1(C(=O)NC2CC2)CCC1	837205957	GYUGWRSYBKVZCR-UHFFFAOYSA-N	310.304	1.252	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)c1cccc(Cl)c1	837309411	MKOFNYHUWLRXGE-XXILOJSOSA-N	306.749	1.716	50	20	DDGD	
Cc1ccncc1C(=O)NNC(=O)c1cc(Cl)ccc1O	743295043	FDDXMOWIJBJQMQ-UHFFFAOYSA-N	305.721	1.824	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNc1ccccc1C(=O)O	833421821	GDMYXWLTVUUEPH-UHFFFAOYSA-N	321.377	1.770	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)NCc1ccon1	747511553	HZUDRLHMKXGPPC-UHFFFAOYSA-N	324.724	1.481	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1CCCc2ccccc21	916362683	MKACXELDNSGVDW-AWEZNQCLSA-N	315.417	1.812	50	20	DDGD	
O=C(/C=C\c1ccccc1)NCCCNS(=O)(=O)CCl	747178331	GCESAXFUGPHGRA-FPLPWBNLSA-N	316.810	1.322	50	20	DDGD	
CN(NC(=O)c1cscc1C(=O)NN(C)C1CC1)C1CC1	911291921	KOFGANOYZBLGKK-UHFFFAOYSA-N	308.407	1.226	50	20	DDGD	
CCN1C[C@@H](CNC(=O)NNc2cccc(C#N)c2)CC1=O	845495212	URXWUZBBWUWIOO-GFCCVEGCSA-N	301.350	1.053	50	20	DDGD	
COCC1(CC(=O)NNc2ccc(C(F)(F)F)nn2)CC1	843839770	UIJJOASJAKKLQP-UHFFFAOYSA-N	304.272	1.755	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1)c1ccccn1	916371693	LHXGWZAUCYDZNW-MELADBBJSA-N	318.421	1.667	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNC(=O)CC(F)(F)F)ccc1F	919751367	QJEPKZGGDZEPCL-UHFFFAOYSA-N	321.230	1.498	50	20	DDGD	
Cc1nn(C)c2ncc(C=NNC(=O)Cc3ccncc3)cc12	747642269	QVRQLMPKDHOFQS-UHFFFAOYSA-N	308.345	1.365	50	20	DDGD	
CNC(=O)NN=C1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1	842525764	ZYSYASJHQIOSMD-WDEREUQCSA-N	310.398	1.938	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)COc1ccc2c(c1)CCC2	843646344	KNVSFXIRRDMQNJ-IAQYHMDHSA-N	318.373	1.127	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCC(F)(F)F)cc1OC	742472729	QCHQDIAOGIZDHN-UHFFFAOYSA-N	320.267	1.807	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@H]2CCCSC2)cc1	846375752	JGJDQBAAIDXVQC-LBPRGKRZSA-N	308.403	1.988	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)OCc2ccnn2C)cc(C#N)n1C	747260852	ZODDKEFDYMYKEV-MLPAPPSSSA-N	309.329	1.589	50	20	DDGD	
C[C@H](CSc1ccc(F)cc1)C(=O)NN(C)C[C@@H](C)O	910168027	YZSPVGKRYXQLCW-GHMZBOCLSA-N	300.399	1.898	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc(-c2ccco2)s1	843653297	WTOAOJVONGOKBV-BDAKNGLRSA-N	321.358	1.589	50	20	DDGD	
CO[C@@H](C=NNC(=O)CCOc1ccccc1)[C@H]1CCOC1	841622155	MJFWKRCUFNQYBS-ZFWWWQNUSA-N	306.362	1.609	50	20	DDGD	
Cc1ccncc1C(=O)NNc1ccccc1S(C)(=O)=O	743369128	ZNQAFLSJJPZAJU-UHFFFAOYSA-N	305.359	1.550	50	20	DDGD	
CCOc1ccc(OCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	843644786	FYWKGSKGZHPWLW-BXUZGUMPSA-N	322.361	1.037	50	20	DDGD	
CC[C@@H](C)[C@H](C)NC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	745771414	AGTGSLPYQFXUTF-BDAKNGLRSA-N	324.337	1.679	50	20	DDGD	
CCn1ccc(CC(=O)NNC(=O)Nc2ccccc2C)n1	846062549	GZWXOJWFIXZSNK-UHFFFAOYSA-N	301.350	1.607	50	20	DDGD	
Cc1cnn(CC(=O)NNC(=O)c2cccc3ccccc23)c1	741573145	XDNVTLQJAWOIKI-UHFFFAOYSA-N	308.341	1.806	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccccc1OC(F)(F)F	841022618	LEIOENIYVZFAGQ-UHFFFAOYSA-N	320.271	1.477	50	20	DDGD	
Cc1nc(O)[nH]c1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	847286120	FRBFKDIGODKREC-UHFFFAOYSA-N	318.377	1.401	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)C1C(C)(C)C1(C)C	746564881	MIMZPFXBPQPKCA-JTQLQIEISA-N	300.424	1.595	50	20	DDGD	
CO[C@@H](CC(=O)NNC(=O)c1cccc(C)n1)C(F)(F)F	844507854	XDPKSJUHWLLXIW-VIFPVBQESA-N	305.256	1.118	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)n1	848675218	UGXBILUDMHRPQU-OLZOCXBDSA-N	319.409	1.733	50	20	DDGD	
O=C(NN=C1CCCC[C@@H]1N1CCCCC1)N1CCOCC1	748784757	BMMWWQINLSGQPM-HNNXBMFYSA-N	308.426	1.813	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cc2ccsc2[nH]1	740849867	ODFIFDWGCAGRNZ-UHFFFAOYSA-N	322.390	1.295	50	20	DDGD	
CCC(CC)(CO)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	848044219	GENQLXLUXSULBT-UHFFFAOYSA-N	315.320	1.916	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1	843663440	YQCYBEIVYGAFAE-DPYKFYPSSA-N	302.374	1.753	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2C[C@@H](C)Cc3c[nH]nc32)n1	857859132	CDFJCCZKNJYHHU-KWQFWETISA-N	316.365	1.326	50	20	DDGD	
O=C(NNC(=O)C1CC(F)(F)C1)c1ccc(Cl)cc1O	754014579	PNUNUXPAXLTJSB-UHFFFAOYSA-N	304.680	1.852	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCc2nccn2C1	855621325	OTHPJZRICSMUBP-SECBINFHSA-N	319.296	1.636	50	20	DDGD	
O=C(NN=CCCc1ccccc1)N[C@@H]1CCS(=O)(=O)C1	755665179	TVXASEAJDJHGNM-CYBMUJFWSA-N	309.391	1.091	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cccc2c[nH]nc12)C1CC1	855101383	AXCCTALQBYDHCO-MRVPVSSYSA-N	303.391	1.470	50	20	DDGD	
COCCOCCNC(=O)NNc1ccc([N+](=O)[O-])cc1F	853438947	VLHXOQLHZPWWET-UHFFFAOYSA-N	316.289	1.023	50	20	DDGD	
CC(C)(C)C(=O)NCCC(=O)NC[C@@]1(C)C[C@H]1Br	857689801	NJWGXECQFRJHHT-NOZJJQNGSA-N	319.243	1.829	50	20	DDGD	
C[C@H](CNC(=O)NNc1ccc(Cl)cc1F)S(C)(=O)=O	921641792	WRHKNDXPBQFXAZ-SSDOTTSWSA-N	323.777	1.538	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)/C=C/c1ccc(O)cc1)C1CC1	855098305	DQCPRZUUVGLJPD-WXLQGSQKSA-N	305.403	1.699	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)COc2ccc(OC)cc2)cn1	920984384	FCTPMLXNXKSORX-UHFFFAOYSA-N	316.361	1.831	50	20	DDGD	
CCC1(CNC(=O)NC[C@@]2(C)C[C@@H]2Br)COC1	856862358	XSJVWFUWMJKSTD-GXSJLCMTSA-N	305.216	1.886	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)NCC1CC=CC1	858719787	ATHNXYGOJZKJKL-UHFFFAOYSA-N	309.391	1.682	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C	858092520	XIVFLEHHGRMAED-XHSYRHOGSA-N	321.333	1.415	50	20	DDGD	
CCc1nc(C=NNC(=O)[C@@H](C)CN2CCOCC2)cs1	755584635	MWULPVPMWDGHDI-NSHDSACASA-N	310.423	1.124	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)C(=O)NC(C)C)c(C)c1	853283534	UFJZNKNCGPAOTG-UHFFFAOYSA-N	305.378	1.759	50	20	DDGD	
CCO[C@@H]1COC[C@H]1NC(=O)NNc1cc(F)cc(Cl)c1	854120836	WRHDUVTXPGKAPO-VXGBXAGGSA-N	317.748	1.909	50	20	DDGD	
COC(=O)[C@@H]1CCCC(=NNC(=O)c2cccc(C(=O)O)c2)C1	853425728	ICDKIJXLJRKGSG-GFCCVEGCSA-N	318.329	1.834	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@@H]1c1ccsc1)c1cn[nH]c1	858703815	GIEKOZFSHBUBRY-LLVKDONJSA-N	305.363	1.663	50	20	DDGD	
CCOc1nc(C(=O)NNC(=O)CNc2ccc(C)cc2)co1	753986237	SQTNQVYEZYNBMM-UHFFFAOYSA-N	318.333	1.255	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)CCOC2)OCC(F)(F)F	856025801	AEBYZFVLQZJPQH-UHFFFAOYSA-N	318.251	1.693	50	20	DDGD	
O=C(CN[C@H](Cc1ccccc1)C1CC1)NNC(=O)C1CC1	754199779	DXGRZQPIIOPJDI-OAHLLOKOSA-N	301.390	1.155	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@@H]1CC12CCSCC2)C1CC1	855096824	ZEDHZKQFJNXCCT-KOLCDFICSA-N	313.492	1.814	50	20	DDGD	
Cc1c(C=NNC(=O)CN2CCCC2=O)c2ccccc2n1C	853278699	HRHINUOQBPWYOF-UHFFFAOYSA-N	312.373	1.559	50	20	DDGD	
C[C@]1(CNC(=O)c2cc(C(N)=O)c[nH]2)C[C@@H]1Br	857393782	MZAGOAHZQLYKSL-GZMMTYOYSA-N	300.156	1.017	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCc2ocnc2C)cc1	923810451	MEKHZWNABVFBQO-UHFFFAOYSA-N	302.334	1.690	50	20	DDGD	
C[C@@]1(CNC(=S)NCc2ccon2)C[C@H]1Br	857203803	CQUOAEXFEJWFIU-SCZZXKLOSA-N	304.213	1.812	50	20	DDGD	
COCCOCCC(=O)NNc1cccc(C(=O)OC)c1C	855627689	YJXKSSRGUAKFQJ-UHFFFAOYSA-N	310.350	1.278	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)[C@@H]1CSCCS1	751067955	GRHJIARJBJSICC-LBPRGKRZSA-N	306.416	1.922	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CCO[C@@H](C)C2)c1C	853946837	OFIPQCRGFUCGSQ-JQWIXIFHSA-N	321.377	1.975	50	20	DDGD	
C[C@@H]1CN(C(=O)CN(C)NC(=O)OCc2ccccc2)CCO1	859390349	ZIGKKQDQFIGXPD-CYBMUJFWSA-N	321.377	1.007	50	20	DDGD	
CC1(C)OCC(NC(=O)NNc2ccc(Cl)nc2)CO1	758736371	OLYSYDRECYKRJZ-UHFFFAOYSA-N	300.746	1.513	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12	855825340	BIRCMISBZKJLGU-FRRDWIJNSA-N	323.437	1.513	50	20	DDGD	
CO[C@H](C=NNC(=O)C1CCN(c2ncccn2)CC1)C1CC1	853302352	BFUNPHKGACMTSJ-CQSZACIVSA-N	317.393	1.220	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cc1n[nH]c2ccccc12)C1CC1	855101835	CIKDQBSXNXEDMR-SECBINFHSA-N	317.418	1.399	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NC[C@@]1(C)C[C@H]1Br	857401705	MJPXKJAJQJONNW-PSASIEDQSA-N	312.229	1.101	50	20	DDGD	
CN1CC[C@@H]2CN(C(=O)NC[C@]3(C)C[C@@H]3Br)C[C@@H]21	856896470	CNEDIXZDGHYEEP-BLFANLJRSA-N	316.243	1.505	50	20	DDGD	
O=C(NN=C1CCCc2ccccc21)[C@@H]1CN2CCC[C@@H]2CO1	853387134	LFDXCWGWKJLXQJ-PBHICJAKSA-N	313.401	1.706	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H]1CC12CCC2	759793102	MBCIOAZDOPUSNA-CYBMUJFWSA-N	302.374	1.965	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cccn1Cc1ccncc1	751372568	TYXAMRXCFDUAQW-UHFFFAOYSA-N	313.361	1.285	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H](C(=O)OC(C)(C)C)C(C)C)cc[nH]1	862514957	CJPFPJFELCFCEK-CYBMUJFWSA-N	307.394	1.869	50	20	DDGD	
COc1ccc(C=NNC(=O)CO)c(OCc2cccnc2)c1	766454205	IHFKPJMJIIGAHT-UHFFFAOYSA-N	315.329	1.112	50	20	DDGD	
Cc1cc(C(=O)NN=C2CCC(O)(C(F)(F)F)CC2)n[nH]1	764794763	HLNAGEANBWKPHX-UHFFFAOYSA-N	304.272	1.671	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CCc1cn[nH]c1	863852350	ZYMAIHDNJZQUBJ-JTQLQIEISA-N	320.324	1.096	50	20	DDGD	
Cc1ccc(CC(=NNC(=O)CS(C)(=O)=O)C2CC2)cc1	863189867	VYFYLVGSQVIDIG-UHFFFAOYSA-N	308.403	1.464	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)Cc1ccco1	764550878	ABTCJVWRCKZDQN-SNVBAGLBSA-N	306.293	1.576	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cccc(C(C)C)n2)n1	761808608	CBQUJZUCNKICNE-UHFFFAOYSA-N	315.377	1.480	50	20	DDGD	
Cc1cccc(NNC(=O)C2CCN(c3cnccn3)CC2)n1	862523921	CGPJQHXJBPUIBF-UHFFFAOYSA-N	312.377	1.540	50	20	DDGD	
CCOC1CC(O)(CNS(=O)(=O)CC(C)(C)CCl)C1	867197287	QQAVITRPUQRCLV-UHFFFAOYSA-N	313.847	1.101	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C1CCc2ccccc21	763196340	UDXWNIIOPKWMRO-UHFFFAOYSA-N	308.341	1.278	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H](C)OCc2ccncc2)c1	869384673	DQSHCFQGWNUNHX-LLVKDONJSA-N	319.386	1.818	50	20	DDGD	
CCOc1cccc(NC(=S)NNC(=O)c2cc(C)[nH]n2)c1	764498571	VPSJZQHGZVDLBZ-UHFFFAOYSA-N	319.390	1.748	50	20	DDGD	
Cc1cc(=O)cc(C)n1CCCC(=O)NN[C@@H](C)C(F)(F)F	862320436	RQHBQXQKZDRTGL-NSHDSACASA-N	319.327	1.817	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@H]2CCCNC2=O)cc1C	868485526	AJGNCZNDXUGCPZ-ZDUSSCGKSA-N	319.361	1.141	50	20	DDGD	
C[C@@H]1COCCN1CCNC(=O)[C@H](Br)C(C)(C)C	767955892	IBUVBDHFRHALQA-MNOVXSKESA-N	321.259	1.633	50	20	DDGD	
CCCOc1ccc(NC(=O)NNC(=O)COCC)cc1C	861625366	IEOIVHGRZKVKSS-UHFFFAOYSA-N	309.366	1.973	50	20	DDGD	
O=C(NNc1ccccc1F)Nc1ccc(-n2cnnn2)cc1	769931563	FSTIRLXGLUDEAX-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1C	763437465	CVEIIYNWTATKPY-UHFFFAOYSA-N	317.267	1.510	50	20	DDGD	
C[C@H]1CC(=NNC(=O)[C@@H]2CCC(=O)N2)c2ccsc2S1	863148993	OFHGSNGZJGHCCA-CBAPKCEASA-N	309.416	1.731	50	20	DDGD	
CC(C)(NC(=O)C(F)(F)F)C(=O)NNc1ccnc(F)c1	760492760	RYJWYCCJZNPZJN-UHFFFAOYSA-N	308.235	1.121	50	20	DDGD	
COc1cccc(NNC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)n1	860676903	GUCWNNRTWKWZFB-JKSUJKDBSA-N	319.361	1.655	50	20	DDGD	
Cn1ccnc1-c1cccc(NCc2cccc(B(O)O)c2)c1	864025689	OLQULQYHNCSPDQ-UHFFFAOYSA-N	307.162	1.379	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)c1ccc(C(=O)O)cc1Cl	768498135	VJSJHGQESGUWRO-UHFFFAOYSA-N	320.754	1.004	50	20	DDGD	
COc1ccc(NNC(=O)c2cccc(OC)c2[N+](=O)[O-])nc1	768238377	DVWOUYAPNBGJFI-UHFFFAOYSA-N	318.289	1.764	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1ccc2c(c1)CCO2	768585720	SHTMGVFVVIVZTC-UHFFFAOYSA-N	314.370	1.648	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)Cc2nnc(C)o2)c1	873756138	FENMEQZJRAXJSZ-UHFFFAOYSA-N	319.390	1.555	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C1CCC[C@H]1F	872381429	OZBMNVMSCZXHJI-PWSUYJOCSA-N	311.357	1.897	50	20	DDGD	
O=C(NCc1ccco1)NN=Cc1ncc(C2OCCO2)s1	773053882	IMQQFVHLOPFMIF-UHFFFAOYSA-N	322.346	1.615	50	20	DDGD	
CC(C)CSCCCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	1118125641	XADAYOCXYGCORI-VXGBXAGGSA-N	317.455	1.521	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccc(O)c(C(=O)O)c2)n1	777427461	YBFBEHCASZSBMU-UHFFFAOYSA-N	316.317	1.054	50	20	DDGD	
Cn1ccc(NC(=O)C(=O)NNc2ccc3ccccc3n2)n1	773661398	IDMUDXUCZHWPND-UHFFFAOYSA-N	310.317	1.050	50	20	DDGD	
CC(C)(CCCO)CNC(=O)NNC(=O)CCc1ccccc1	772631557	XNMLYHZKVKJSDO-UHFFFAOYSA-N	321.421	1.748	50	20	DDGD	
CON(C)C(=O)[C@@H](C)NC(=O)NNc1ccc(C)cc1Cl	875907883	PPNMYVZGAUKCQS-SECBINFHSA-N	314.773	1.683	50	20	DDGD	
Cc1noc(C2CC2)c1C(=O)NNC(=S)Nc1ccccn1	874956191	OXYJPTPHNZVRBP-UHFFFAOYSA-N	317.374	1.887	50	20	DDGD	
O=C(CO)NN=Cc1ccc(Br)c2cccnc12	777890937	XFOFADTXHORVKM-UHFFFAOYSA-N	308.135	1.440	50	20	DDGD	
CNC(=O)Cc1ccccc1NC(=O)NNC(=O)CC(C)(C)C	1116561518	AIIVKQDZPUJXJI-UHFFFAOYSA-N	320.393	1.564	50	20	DDGD	
Cc1cc(=NNC(=O)NCCCN2CCC(C)CC2)cc[nH]1	875020815	VBCJKOGJUCYCQU-UHFFFAOYSA-N	305.426	1.560	50	20	DDGD	
O=S(=O)(CCCCl)N[C@H](CCO)c1ccccc1F	882309875	RLYJXHJLNVCBDN-GFCCVEGCSA-N	309.790	1.798	50	20	DDGD	
Cn1cc(CCC(=O)NNc2ccnc(Br)c2)cn1	771551825	GQGDGWOZRRLUDT-UHFFFAOYSA-N	324.182	1.654	50	20	DDGD	
COc1ccc(SC)c(OC)c1C(=O)NNc1ncccn1	775653913	OFWZUZPVESVALD-UHFFFAOYSA-N	320.374	1.973	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)C2(F)CCCC2)cc1	771857109	GPPVHYCZRXGITE-UHFFFAOYSA-N	305.309	1.367	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@]12CCc1ccccc12)c1cccnn1	882059404	WISXFOXTEKAMJK-DYVFJYSZSA-N	308.341	1.142	50	20	DDGD	
O=C(CC(C1CCC1)C1CCC1)NNC(=O)c1cccnn1	882056080	JMHLBYWSDUMYKR-UHFFFAOYSA-N	302.378	1.844	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc(CCOC(C)=O)c1	785864860	STCOVTMSYFQDMS-UHFFFAOYSA-N	322.365	1.490	50	20	DDGD	
COc1cc(NNC(=O)C(=O)Nc2ccn(C)n2)ccc1Cl	789804900	QGVATTHEWHPSDW-UHFFFAOYSA-N	323.740	1.164	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCc2ccccn2)c1	780815229	IJGGRTXNCWEKGC-UHFFFAOYSA-N	314.345	1.737	50	20	DDGD	
N#Cc1ccc(NCC(=O)NNc2ncncc2Cl)cc1	781833260	HXTVICVCXRXJPD-UHFFFAOYSA-N	302.725	1.557	50	20	DDGD	
C[Si](C)(CNS(=O)(=O)CBr)c1ccccc1	784027514	JBJDPNPFNWNTPI-UHFFFAOYSA-N	322.300	1.413	50	20	DDGD	
CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1csc(Cl)c1	787154939	MOGWDYQCQJEGCB-ZETCQYMHSA-N	323.827	1.179	50	20	DDGD	
Cc1cc(C(=O)NNc2nc3ccccc3c(=O)n2C)ccn1	789948770	AMVCXXNANCQZPA-UHFFFAOYSA-N	309.329	1.394	50	20	DDGD	
C=C(Cl)CNC(=O)NNC(=O)c1cc(Br)c[nH]1	787735990	PELSFMITZXFRBG-UHFFFAOYSA-N	321.562	1.474	50	20	DDGD	
CC1(C)[C@H](NC(=O)NNc2ncncc2Cl)[C@@H]2CCO[C@H]21	780999280	LEALOFXEQRWAEB-FXBDTBDDSA-N	311.773	1.570	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)NNc1ccc(C#N)cn1	899664197	UQUJATDAIGAPRE-GFCCVEGCSA-N	315.377	1.433	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cncn1-c1ccc(F)cc1	890121207	IHHSDEHRNQAXRV-UHFFFAOYSA-N	317.324	1.365	50	20	DDGD	
CC(C)[C@@H]1C[C@H](NC(=O)NNc2ncncc2Cl)CCO1	781013359	JRYITINJAPCDKL-KOLCDFICSA-N	313.789	1.960	50	20	DDGD	
O=C(CN1CCCC1=O)NN=CC[C@H]1CCCCC12OCCO2	788705333	UVXSEWLFEOZCOJ-CYBMUJFWSA-N	323.393	1.034	50	20	DDGD	
CCCn1cc(NC(=O)NNC(=O)c2cccc(C)n2)cn1	797630241	QCYKGYUUIGGAMU-UHFFFAOYSA-N	302.338	1.463	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cccnc2F)cc1	791197827	SNWZBJCNRAKJJD-UHFFFAOYSA-N	302.309	1.402	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@H]2N(C)CCCC2(C)C)n1	790886906	UWHCCSQBRJTZHY-NSHDSACASA-N	322.413	1.232	50	20	DDGD	
Cn1cc2c(n1)CCC[C@@H]2C(=O)NNC(=O)c1ccccc1F	798349324	WVQGPWPVNNSAOE-JTQLQIEISA-N	316.336	1.440	50	20	DDGD	
CC(C)[C@H](NS(=O)(=O)CCCCCl)c1nncn1C	796033672	LKPCWVZTTMJSEK-JTQLQIEISA-N	308.835	1.451	50	20	DDGD	
O=S(=O)(c1cc(Cl)ccc1Cl)N1CC[C@H](B(O)O)C1	585061444	XLFNYGMSQCLOLB-ZETCQYMHSA-N	323.994	1.231	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNc1nc(-c2cccnc2)no1	793478702	NOYHQTXPHABDDF-KOLCDFICSA-N	305.338	1.636	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2c(C)cc(C)nc2O)n1	794089524	HTHDSNHZIFHWQC-UHFFFAOYSA-N	300.318	1.182	50	20	DDGD	
O=C(CCO)NN=C1CCOc2c(Cl)ccc(Cl)c21	1318993154	PCRNBEBGBLADGF-UHFFFAOYSA-N	303.145	1.979	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccc(N)c(Cl)c2)n1	1319446747	QGJCHJFTWIMMHO-UHFFFAOYSA-N	305.769	1.886	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1ccc(C(C)(C)C)nn1)C(C)C	1318693441	HZHUVIKUJZHFOT-LBPRGKRZSA-N	323.397	1.598	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc(OC)cs2)cc1	1319305061	UTEOIXWUHSHIJT-UHFFFAOYSA-N	306.343	1.840	50	20	DDGD	
Nc1cnnc(NNC(=O)NCCc2ccccc2)c1Cl	1319221980	ZGIDVJYODHAPSD-UHFFFAOYSA-N	306.757	1.581	50	20	DDGD	
O=C(NNC(=O)N[C@H]1C=CCCC1)Nc1ccc2c(c1)OCO2	1328122137	OZFXXSQXNCCBEN-JTQLQIEISA-N	318.333	1.860	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H](C)c2ccc(F)cc2F)n[nH]1	1329526686	NYNJYVYHWBJZGL-VIFPVBQESA-N	322.315	1.490	50	20	DDGD	
CCCC[C@@H](CN)NC(=O)NNC(=O)c1ccc(OC)cc1	1325680207	BATHVYVQBPBYJX-LBPRGKRZSA-N	308.382	1.157	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2ccccc2C(N)=O)CC1	1326204384	RNBNDYKMPCJVOQ-UHFFFAOYSA-N	316.405	1.358	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccnc(OC2CCC2)c1	1253749050	CFKGVVYDGNEILR-UHFFFAOYSA-N	304.350	1.367	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21)c1cc(Cl)ccc1O	1334127989	YVLFJTGVMLVBRO-VSYUYLJXSA-N	308.721	1.032	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2CCO[C@@H](C)C2)cc1	1337058246	VUMFTLKLUZVRAO-JQWIXIFHSA-N	307.350	1.207	50	20	DDGD	
O=C(NN=C1CCC(O)(C(F)(F)F)CC1)c1cccnn1	1336995281	OQCODLVMKZEJBW-UHFFFAOYSA-N	302.256	1.430	50	20	DDGD	
Cc1nn(C)c(Cl)c1C(=O)NNc1ccc(CC(=O)O)cc1	1600772180	LGZVFJXKKZYEGP-UHFFFAOYSA-N	322.752	1.766	50	20	DDGD	
CCOc1cnc(C(=O)NNc2ccc(F)c(C(=O)O)c2)cn1	1605714411	IJUOPJMWWIXYPW-UHFFFAOYSA-N	320.280	1.470	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc(CC(=O)O)c(F)c1	1603301304	XHYPMEYSVTUDIT-UHFFFAOYSA-N	311.313	1.652	50	20	DDGD	
O=C(NCCCn1ccnc1)NNc1ccc(F)c(C(=O)O)c1	1601501101	WKZASVLEBMSUGD-UHFFFAOYSA-N	321.312	1.437	50	20	DDGD	
O=C(NCc1cccnc1)NNc1cccc(C(=O)O)c1F	1608472064	BSQSYKGDWVIONT-UHFFFAOYSA-N	304.281	1.745	50	20	DDGD	
O=C(O)c1cc(C=NNC(=O)c2cccc3ncccc23)on1	1602254733	MSSMATSIZZQZGS-UHFFFAOYSA-N	310.269	1.685	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCC(=O)O)cc1Cl	1604391266	JQEMKZVHWMIDAQ-UHFFFAOYSA-N	300.698	1.435	50	20	DDGD	
Cn1nc(C(=O)O)cc1C=NNC(=O)c1cc2ccccc2o1	1605539845	BNRRKEWCIQSCBP-UHFFFAOYSA-N	312.285	1.628	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(C(=O)O)c(Cl)c2)nn1C	1607580179	SMXJTKNQBIOQGX-UHFFFAOYSA-N	308.725	1.837	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(CC(=O)O)cc1)c1cn[nH]c1	1604289752	BFZLSGPPDWWVJG-VIFPVBQESA-N	303.322	1.424	50	20	DDGD	
Cc1cc(Cl)ccc1C=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549322408	YWVSRASNBBAZED-LSDHHAIUSA-N	321.808	1.962	50	20	DDGD	
CN(NS(=O)(=O)c1cc(C(=O)O)co1)C(=O)OC(C)(C)C	1610126839	WIGOKHTYQOXGBT-UHFFFAOYSA-N	320.323	1.038	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H](N)C(C)(C)C	1573589892	KLCHTQXUOQLQLQ-BXKDBHETSA-N	311.357	1.114	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@H]1C[C@@]12CCNC2	1578851819	XWFIJZVVGINXTK-RFAUZJTJSA-N	307.325	1.055	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@@]12CCCC[C@@H]1NCC2	1580723272	ITSWDHXFEMNSRY-SWLSCSKDSA-N	306.366	1.032	50	20	DDGD	
C[C@@H](NNC(=O)c1cccc(OCC(=O)O)c1)C(F)(F)F	1589132161	NJPLLFCOJOORND-SSDOTTSWSA-N	306.240	1.335	50	20	DDGD	
C=C(CBr)CN1C[C@@H](C(=O)O)CC[C@H]1C(=O)OC	1588605163	AURAGIITKOXBDO-UWVGGRQHSA-N	320.183	1.276	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)C1(C(=O)O)CCCCC1	1593888891	VLSNYZWYZISSGQ-UHFFFAOYSA-N	320.345	1.951	50	20	DDGD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NNc1cccc(-c2nn[nH]n2)c1	1590163275	HRYLPAPHDHRSBG-ZJUUUORDSA-N	314.349	1.315	50	20	DDGD	
CC[C@@H](O)CC(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1590476686	XYPCHCCSVJQPJK-MRVPVSSYSA-N	310.745	1.124	50	20	DDGD	
COC[C@@H](O)CCNS(=O)(=O)c1ccc(CCCl)cc1	231601554	NYGVPDHICNBFOW-LBPRGKRZSA-N	321.826	1.144	50	20	DDGD	
O=C(NN=Cc1cc(Cl)ncc1C(=O)O)c1cnsn1	1776104887	DUQRTDNLNAANQC-UHFFFAOYSA-N	311.710	1.049	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1c(C(=O)O)cnn1C	1776119710	JLAQCFBEJILDIH-FXHRJKFWSA-N	316.361	1.720	50	20	DDGD	
O=C(O)c1cc(F)c(C=NNC(=O)c2ccc(O)nc2)c(F)c1	1776094934	USHQZCITBFVBKM-UHFFFAOYSA-N	321.239	1.528	50	20	DDGD	
CC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc[nH]1	1795069446	WVUSJEZINMDKBC-USZNOCQGSA-N	324.812	1.679	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)COc1ccccc1C#N	5824605	RTZNXXGGTUEYKL-UHFFFAOYSA-N	309.325	1.707	50	20	DDGD	
Cc1ccc(C)c(S(=O)(=O)NNC(=O)c2ccccc2)c1	16123718	SAXYNAMBJOZKDJ-UHFFFAOYSA-N	304.371	1.927	50	20	DDGD	
O=C(NNc1ncccn1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2	162868892	NJBJEAVQSAOTQF-TUAOUCFPSA-N	303.366	1.450	50	20	DDGD	
N[C@@H]1CCC[C@H](C(=O)NNc2nc(-c3ccncc3)no2)C1	167219586	HREDGYXHFICJSH-WDEREUQCSA-N	302.338	1.092	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(F)cc3cccnc23)n1	159930277	PDRRRNZOIBXGSV-UHFFFAOYSA-N	313.292	1.929	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)nc1	159362708	NDYWMYLYLFEWQW-LLVKDONJSA-N	318.377	1.324	50	20	DDGD	
CC(C)NC(=O)CNS(=O)(=O)c1ccc(CCl)cc1	311542435	IXYVJQDXVQTQOY-UHFFFAOYSA-N	304.799	1.228	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1nn(-c2ccccc2)cc1O	7699154	KVZBDMHNIXZAKJ-UHFFFAOYSA-N	319.390	1.095	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1ccc([N+](=O)[O-])cc1	103179390	GOYHJMAUEPJGER-UHFFFAOYSA-N	308.338	1.861	50	20	DDGD	
O=C(CSc1ccc(O)cc1)NNC(=O)c1ccccc1	37995654	RRRFDUXFNXAXMD-UHFFFAOYSA-N	302.355	1.946	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Cc2cccnc2)c(C)c1	103425180	BOGULLDSSQZIIA-UHFFFAOYSA-N	313.357	1.467	50	20	DDGD	
Cc1cccc([C@H](C)NC(=O)NNC(=O)[C@@H]2CCCO2)c1C	115861279	KYYGCMUXPXSYDP-JSGCOSHPSA-N	305.378	1.874	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cc(Cl)ccc1[N+](=O)[O-]	119551293	PNRYDTOSCYQNQD-UHFFFAOYSA-N	300.702	1.601	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NC1CCOCC1	69340279	HEOHIPQLLGIQNO-UHFFFAOYSA-N	305.378	1.519	50	20	DDGD	
Cn1cnc(C(=O)NNC(=O)c2cccc(OC(F)F)c2)c1	179326143	GPLKTUOMKJHVLI-UHFFFAOYSA-N	310.260	1.096	50	20	DDGD	
CC(C)NC(=O)/C(C#N)=C\c1cc2c(cc1[N+](=O)[O-])OCCO2	63428015	HUCPDMBBSWWEQI-WZUFQYTHSA-N	317.301	1.798	50	20	DDGD	
Cc1nnc(NNC(=O)Cn2c(C)cc3ccccc32)nc1O	23311203	VPAQVGLSNGCMFJ-UHFFFAOYSA-N	312.333	1.292	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)n1	22234718	KRKOMTGPJGUAIC-LBPRGKRZSA-N	317.393	1.328	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12	179966934	QVAOLLVTDHUPIQ-BQYQJAHWSA-N	301.262	1.854	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNC(=O)Cc1ccc(F)cc1	119111414	HQMKJFUQDHQOCS-UHFFFAOYSA-N	310.325	1.105	50	20	DDGD	
CCN(CC)CCSCC(=O)NNc1nc(C)cc(C)n1	173799611	WYGNZTGBBAPVKB-UHFFFAOYSA-N	311.455	1.612	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cccc(N2CCCC2=O)c1	61475756	RLSNQQSDGRFQSB-UHFFFAOYSA-N	319.361	1.983	50	20	DDGD	
C[C@@H]1CC[C@@H](CCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)O1	174929673	DQEUQIQOOXLBKX-MFKMUULPSA-N	321.333	1.704	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)Nc1ccc(Cl)cn1	175819539	UZRRJCUZVZUMPR-UHFFFAOYSA-N	306.709	1.907	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2cccc3ncccc23)n[nH]1	122786341	SZZOKAYQUQMALK-UHFFFAOYSA-N	309.329	1.270	50	20	DDGD	
C[C@@H](C(=O)NN(C)C(N)=O)N1CCC(Cc2ccccc2)CC1	182644821	OROBQVIELBRWTP-ZDUSSCGKSA-N	318.421	1.371	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(CC(N)=O)C(C)C)cc1	124967581	SPDAYWQAYXPGPH-ZROIWOOFSA-N	315.373	1.715	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cc(Cl)cn2C)cc1	185334723	IAERTYHNVKZENT-UHFFFAOYSA-N	320.780	1.860	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](C)c1ccc(F)cc1Cl	77621807	ZNWVMFTYTJGELL-QMMMGPOBSA-N	317.748	1.907	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@@H](C)CN2CCCC2)n1	181425074	NFDUCTGWDISXAM-GFCCVEGCSA-N	307.398	1.448	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@@H](O)c2ccccc2)c1	73525112	YMPDJBXBXYNMNR-HNNXBMFYSA-N	313.357	1.247	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H](C)Cn2ccnc2)cc1	79512102	KQJCQJYNANAAHK-GFCCVEGCSA-N	315.377	1.478	50	20	DDGD	
CCCCC(=O)N1CSC[C@@H]1C(=O)NNc1ccncc1	180527364	GIKVTZRKIMSZOW-GFCCVEGCSA-N	308.407	1.616	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNC(=O)C(C)(C)C)c1cccc(F)c1	79222381	MCMJPTQEBBDJNS-ZDUSSCGKSA-N	324.400	1.805	50	20	DDGD	
N#C/C=C(\c1ccccc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1	78668588	LTHFAFOWHPRLON-BDBSJLECSA-N	311.385	1.874	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1c(F)cc(F)cc1F	81025012	WOZZBIMPOBYUJH-UHFFFAOYSA-N	309.247	1.503	50	20	DDGD	
CC(C)=CCNC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	190621848	IODNSCBTLLROTA-LLVKDONJSA-N	309.341	1.890	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1csc(C2CC2)n1	194892529	JEOLUTPJWHXIQK-UHFFFAOYSA-N	306.347	1.758	50	20	DDGD	
CSC[C@H]1CCCN1[C@@H](C)C(=O)NNC(=O)CC(C)C	135484888	KKYCBJRUFZDNRX-NWDGAFQWSA-N	301.456	1.396	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H](C)c1c(F)cccc1F	134448099	KAWRVFOMJUAHSL-SECBINFHSA-N	315.320	1.435	50	20	DDGD	
Cc1nnsc1C(=O)NNC(=O)c1cccc2ncccc12	190515679	CUBMYNQUVBWRNT-UHFFFAOYSA-N	313.342	1.470	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1	195172787	BHXJBELITSEOHE-NSHDSACASA-N	318.377	1.168	50	20	DDGD	
C[C@H]1CS(=O)(=O)CCN1C(=O)c1cccc(CCl)c1	228735679	MCEIIEZDLQOMNZ-JTQLQIEISA-N	301.795	1.685	50	20	DDGD	
COc1ccc(NC(=O)NNc2nc3ccccn3n2)c(C)n1	192324251	OZNZZNQCCKDKKF-UHFFFAOYSA-N	313.321	1.590	50	20	DDGD	
CN(C)C(=O)NNC(=O)CCc1ncc(-c2ccccc2)o1	194924667	DWNZCBSBWZHCJO-UHFFFAOYSA-N	302.334	1.577	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H]2COc3ccc(F)cc3C2)n1	90167267	ZBKOZAAGIAEWOK-SNVBAGLBSA-N	318.308	1.319	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)n1	247631210	STVSSUWHEOYIGH-XZPDDHLCSA-N	303.366	1.464	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1	269483953	PTUGRBLGNLJHBV-NGPGYTDTSA-N	305.300	1.431	50	20	DDGD	
COCCN1CC[C@@H](NC(=O)NNc2ccccc2Cl)C1	265799735	YKVMPRQJEHRDDD-LLVKDONJSA-N	312.801	1.687	50	20	DDGD	
COCCC(=O)NNC(=S)Nc1ccc(OC)c(F)c1	263658388	PERFQXXUSVATCZ-UHFFFAOYSA-N	301.343	1.188	50	20	DDGD	
COC(=O)Nc1ccccc1C(=O)NNC(=O)NC1CCCC1	265039950	QBOMWIOOJPNQME-UHFFFAOYSA-N	320.349	1.752	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)c2cccn2C)c1Cl	266020556	JSWKJSHXKVREBI-UHFFFAOYSA-N	309.757	1.278	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CC[C@H]3OCCC[C@H]3C2)n1	366288452	UXJIEXCESIGSMI-GXTWGEPZSA-N	318.377	1.245	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)[C@@H]1CCCCS1(=O)=O	275108660	XPEBUZZAPXUVQV-NSHDSACASA-N	322.308	1.514	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NNc1ccc(Cl)c(F)c1	273071516	KVOZGEWKASAPHX-SNVBAGLBSA-N	315.776	1.891	50	20	DDGD	
O=C(NNc1cnccn1)C1(c2ccc(F)cc2)CCOCC1	274787161	ZXWXZXMZDAODNF-UHFFFAOYSA-N	316.336	1.807	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H]2CCO[C@H](C)C2)c(C)c1	271815030	BQJXTDRBYGEQBA-KGLIPLIRSA-N	319.405	1.678	50	20	DDGD	
CS(=O)(=O)CCCNC(=O)/C(C#N)=C\c1ccc(F)cc1	273082217	BJVBDXRHHFKWJZ-XFXZXTDPSA-N	310.350	1.284	50	20	DDGD	
CCc1nn(C)c(CC)c1CC(=O)NNC(=O)NC1CCCC1	276818476	MHSBNNNSZBNYHA-UHFFFAOYSA-N	321.425	1.360	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNC(=O)Cc1nc2ccccc2n1C	285116822	VFEYTSVBHNWLRR-INIZCTEOSA-N	313.361	1.203	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cscc1Br	286889997	XGDWQPBHRCRJEO-UHFFFAOYSA-N	307.169	1.043	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCN(CC(F)(F)F)C2)o1	280291586	GREPOHYCPPKIHM-SECBINFHSA-N	319.283	1.233	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H](C)c1cn(C)c2ccccc12	281415724	ZQPNQHZKABWKFZ-LLVKDONJSA-N	316.430	1.963	50	20	DDGD	
CCNC(=O)C1(CNC(=O)NNc2ncccc2F)CCC1	288764480	QZNJOHVVAVOYTH-UHFFFAOYSA-N	309.345	1.153	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)/C=C2\CC[C@@H](C)C2)cc1	282809352	NHVIJYUIFPMZCN-GMCKNXKJSA-N	315.373	1.827	50	20	DDGD	
COCCOCCC(=O)NNC(=O)Nc1cc(F)cc(F)c1	283637953	CGKDJONARYDADS-UHFFFAOYSA-N	317.292	1.171	50	20	DDGD	
COC(=O)N(C)CC(=O)NNC(=O)Nc1cccc(Cl)c1	283778031	QRZFWCNHVMQTQO-UHFFFAOYSA-N	314.729	1.191	50	20	DDGD	
O=C(/C=C/c1c(F)cccc1F)NNC(=O)[C@@H]1CCCCO1	295780934	SPAGCAIPPRXEDE-GWJCSSMESA-N	310.300	1.695	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(C)c(Br)c1	296969214	DKRQHEFHHYNKLD-UHFFFAOYSA-N	301.184	1.981	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H]1CCCCN1C(C)=O	803032519	UWGWKBVGTICOGU-AWEZNQCLSA-N	319.361	1.317	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802104805	KTGSMBDCFXUHTG-SECBINFHSA-N	309.322	1.383	50	20	DDGD	
Cc1cc2ncc(C(=O)NNC(=O)CC3CCCC3)c(C)n2n1	299528300	CZQMWIFSSGPGQZ-UHFFFAOYSA-N	315.377	1.687	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C(F)(F)C1(O)CCC1	805382344	OPVGULZIRWNAGO-UHFFFAOYSA-N	315.276	1.897	50	20	DDGD	
Cn1nnc(Br)c1C(=O)NNc1cccc(F)c1	810680861	ALLXDXLKYSHSAO-UHFFFAOYSA-N	314.118	1.474	50	20	DDGD	
C=CCc1ccc(OCC(=O)NNC(=O)CC2CC2)c(OC)c1	819136169	OIHOBHLBTHWLOY-UHFFFAOYSA-N	318.373	1.750	50	20	DDGD	
Cc1ccc(OCCCC(=O)NNc2cnnn2C)cc1C	816772205	QUGPPHKYCRVQCN-UHFFFAOYSA-N	303.366	1.734	50	20	DDGD	
Cc1cc(C)c(C(=O)O)cc1C=NNC(=O)CN1CCCC1=O	814760684	AJXMFBJAJKMABT-UHFFFAOYSA-N	317.345	1.074	50	20	DDGD	
Cc1oc2ncn(C)c(=O)c2c1C(=O)NCC(Cl)Cl	816605978	SQKHVVBTHKJKAM-UHFFFAOYSA-N	304.133	1.368	50	20	DDGD	
N#Cc1ccc(C(=O)NN=C2CCCc3nc(N)ncc32)cc1	814823657	PWNIBRQXNQIDKJ-UHFFFAOYSA-N	306.329	1.401	50	20	DDGD	
C=CCOc1cc(OC)ccc1C(=O)NNC(=O)CC1CC1	819123055	ONFNELSWTNAVOE-UHFFFAOYSA-N	304.346	1.821	50	20	DDGD	
CCn1ccnc1C(=O)NNC(=O)c1cccc2ncccc12	813443655	GTTVZGHLFBCPLS-UHFFFAOYSA-N	309.329	1.526	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@@H](CO)c1ccc(Cl)cc1	813720726	WIMZCXSXYIYEEC-XSNHNAGMSA-N	308.765	1.976	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1conc1Cc1ccccc1	814955240	XLLNUSSTLYQLQH-UHFFFAOYSA-N	309.329	1.681	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1ccc2c(c1)CCC(=O)N2	814955555	MGDQFVABULWLAM-UHFFFAOYSA-N	311.345	1.377	50	20	DDGD	
CN(C)c1ccc(NC(=O)NN=Cc2cn(C)nc2O)cc1	814223565	XJIOTDJASMXYSH-UHFFFAOYSA-N	302.338	1.347	50	20	DDGD	
COCCCNC(=O)NN=C1CC(C)(C)Oc2ccc(O)cc21	814819585	MLEDWBJNRMYLQN-UHFFFAOYSA-N	321.377	1.993	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)C(C)(F)F	815488825	JLJNIVJAIFOPKA-DTWKUNHWSA-N	308.325	1.403	50	20	DDGD	
O=C1C[C@H](C(=O)NNC(=O)C2CCCC2)[C@H]2CCCC[C@H]2N1	821754367	AJBZKDKWUSJXQG-FRRDWIJNSA-N	307.394	1.019	50	20	DDGD	
COC(=O)NNC(=O)Cc1cccc(OCc2cccnc2)c1	495367308	ODWCKUOERLGPAX-UHFFFAOYSA-N	315.329	1.590	50	20	DDGD	
COc1ccnc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1	826221193	TUAXNPXBUBKYEQ-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
COC(=O)Nc1cccc(CNC(=O)NNC(=O)C(C)(C)C)c1	495838576	WNECQJJTIUNQRD-UHFFFAOYSA-N	322.365	1.741	50	20	DDGD	
CS[C@@H](C)CCC(=O)NNc1cccc(-c2nn[nH]n2)c1	826225374	AHQRLQITFROCMJ-VIFPVBQESA-N	306.395	1.842	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNC(=O)Cc1ccccc1F)C(C)(C)C	823208799	MWYSXIBOCZQMQP-CQSZACIVSA-N	323.368	1.066	50	20	DDGD	
Cc1ncoc1CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	820224029	FAHFLSLPPOOWHM-YIXHJXPBSA-N	309.329	1.725	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCC1=O	824866837	NSBMRYSHPNLMRA-ONGXEEELSA-N	314.349	1.315	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(C(=O)N(C)C)CC1(C)C	490812752	MODZLAVNNQFHNW-ZRDIBKRKSA-N	308.382	1.035	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NN=Cc2ncc[nH]2)C1	495719165	HQUWCFLJWIQDRO-NSHDSACASA-N	321.381	1.507	50	20	DDGD	
CN(C[C@]1(O)CCc2ccccc21)C(=O)NNC(=O)C(C)(C)C	825965304	WBTIFKMXSVPUBC-QGZVFWFLSA-N	319.405	1.539	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Nc2ccc(C(N)=O)cc2)c1	728941932	JXGGJASGCZHOGP-UHFFFAOYSA-N	323.312	1.124	50	20	DDGD	
C/C=C\C[C@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)OCC	491173912	FWCMVHHQQAVKAA-NSEKOSGJSA-N	316.361	1.341	50	20	DDGD	
COc1ccc([C@@H](NCc2ccccc2B(O)O)C(C)C)cc1	585014712	BMFITZICRNPCOV-SFHVURJKSA-N	313.206	1.862	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1	492990283	IWRJUNKQOCVCAG-VIFPVBQESA-N	314.386	1.125	50	20	DDGD	
O=C(/C=C\[C@@H]1CCOC1)NNC(=O)NCc1ccc(Cl)cc1	493435755	RVDVLKOHFPGZRP-GCLPIYDQSA-N	323.780	1.763	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNC(=S)NCCc1cccs1	820171558	SONCBNDXFVQXRH-CYBMUJFWSA-N	313.448	1.113	50	20	DDGD	
OB(O)c1ccccc1CNc1cccc(COCC2CC2)c1	585012195	OUUHAEIZFVJMNQ-UHFFFAOYSA-N	311.190	1.905	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@H]1CC(=O)N(C(C)(C)C)C1	823151333	OAVAUZOZJYAKGW-LLVKDONJSA-N	312.414	1.010	50	20	DDGD	
Cc1onc(-c2ccccc2)c1C(=O)N1CC[C@@H](B(O)O)C1	585073293	WNTRQLXAVUKANN-GFCCVEGCSA-N	300.123	1.339	50	20	DDGD	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)NN(C)C(=O)OC	496828639	PJYUCIPWMKETFZ-GFCCVEGCSA-N	323.349	1.073	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(C(N)=O)cc1OC(C)C	496370789	UKQMXBHKCBAZPT-UHFFFAOYSA-N	324.337	1.355	50	20	DDGD	
C[C@H](O)[C@@H]1CCCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C1	490876590	KITHKRXDIRZAOO-NHSKIZIUSA-N	300.358	1.919	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H](NC(=O)O)C(C)C)cc1	737257124	ZRPIISBADCBMGI-GFCCVEGCSA-N	307.350	1.302	50	20	DDGD	
CCc1onc(C)c1C=NNC(=O)Cc1cn2ccccc2n1	901194517	LEBCCXQWNYZVAL-UHFFFAOYSA-N	311.345	1.886	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C	495278087	ZTVLXXXWMOMYQG-JTQLQIEISA-N	316.402	1.182	50	20	DDGD	
CCCN1CCC[C@H](C(=O)NNc2nc3ccccn3n2)C1	907696913	CGMNTBPQVXWLCI-LBPRGKRZSA-N	302.382	1.294	50	20	DDGD	
OB(O)c1ccc(CN[C@@H](CC(F)F)c2ccccc2)c(F)c1	585048020	IWVOSNASZVXBJW-HNNXBMFYSA-N	323.123	1.992	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)NNc1nc[nH]n1	496593531	CEAYEBCCKDZACZ-SECBINFHSA-N	310.358	1.037	50	20	DDGD	
O=C(NC[C@H]1CCCC[C@H]1C1CC1)c1cc(B(O)O)ccc1F	584997922	LPFYROOGYQRDSM-OCCSQVGLSA-N	319.185	1.452	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)[C@H]2CCCCO2)n(C)c1C	834987500	YIRIXYKYMFDIJA-CYBMUJFWSA-N	307.350	1.139	50	20	DDGD	
COc1ccc(C(=O)NN=C2CCNC(=O)CC2)c(OC)c1	834955120	IPDQQWSBNDJRLZ-UHFFFAOYSA-N	305.334	1.090	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1sccc1Br	833384259	FZHMHADBNHTBGI-UHFFFAOYSA-N	320.168	1.618	50	20	DDGD	
CCCOc1cccnc1C(=O)NNC(=O)[C@H]1CCCCO1	833243342	QQLUPNCQSNVHBX-GFCCVEGCSA-N	307.350	1.201	50	20	DDGD	
CC(C)CN1C[C@@H](C(=O)NNc2ccccc2C(=O)O)CC1=O	833489837	VCPBFJCOXOZTGE-NSHDSACASA-N	319.361	1.332	50	20	DDGD	
CC(C)N1CCN(CCCC(=O)NNC(=O)C2CCCC2)CC1	900173849	CJTWXFBPYVJEGR-UHFFFAOYSA-N	324.469	1.130	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNC(=O)COc1ccc(C)cc1	839465326	LZSDHROVKAFTNM-CYBMUJFWSA-N	322.361	1.111	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](CC)CC(C)C	830190791	PTSBNLMODWGPKY-LBPRGKRZSA-N	302.415	1.995	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](F)C(F)(F)F)c(F)c1	837205798	DPPYVVBIHPMVFY-QMMMGPOBSA-N	312.194	1.956	50	20	DDGD	
COc1ccc(Br)c(NNC(=O)CNC(C)=O)c1	839907697	YPLKNXJHECJLDR-UHFFFAOYSA-N	316.155	1.037	50	20	DDGD	
C=C(CC)CNC(=O)NNC(=O)c1cc(OC)cc(OC)c1	836652826	BGIAVQCHDFDUFN-UHFFFAOYSA-N	307.350	1.614	50	20	DDGD	
CC[C@@H](C(=O)NNc1cccc(Br)n1)N(C)C	837212994	YPFQKZJRBNMEBD-QMMMGPOBSA-N	301.188	1.627	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNC(=O)COc2cccc(C)c2)C1	838748365	GWSDSWWYRCUZRS-XBXGTLAGSA-N	321.377	1.272	50	20	DDGD	
CO[C@@](C)(CNC(=O)NNc1ncncc1F)c1ccccc1	836592302	GVLGAOOAGQFKSG-HNNXBMFYSA-N	319.340	1.804	50	20	DDGD	
COc1ccc(C=NNC(=O)c2cnn(C)c2)c(OC(F)F)c1	735410939	DIIOWKZAWYKZGO-UHFFFAOYSA-N	324.287	1.794	50	20	DDGD	
O=C(O)[C@H]1C[C@@H]1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	739548707	QRVPZLROOUVAAT-XDNKLBHWSA-N	306.362	1.071	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	837623783	OLMSKBWTDFSYIU-UHFFFAOYSA-N	321.255	1.837	50	20	DDGD	
C[C@@]1(C(=O)NNc2ncncc2Cl)C[C@H]1Br	907603853	MXJAEBCZEPODAZ-HZGVNTEJSA-N	305.563	1.747	50	20	DDGD	
CC[C@@H](CC(=O)NNC(=O)c1ncon1)c1ccc(C)cc1	832825675	DCKIXPZWYPPZHR-NSHDSACASA-N	302.334	1.723	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2(C(=O)C3CC3)CC2)c(F)c1	837206195	KSIKURFVUGPTSQ-UHFFFAOYSA-N	320.320	1.815	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)NCc1cocn1	730913445	WYUHXYMTEMXEJY-UHFFFAOYSA-N	313.317	1.229	50	20	DDGD	
CON(C)C(=O)CCC(C)=NNC(=O)CCc1ccccc1O	834955263	KFMLDSQAINODPP-UHFFFAOYSA-N	321.377	1.617	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CSCC(=O)O)cc1C	737292698	VVDHAHIAIXLYRX-UHFFFAOYSA-N	316.404	1.198	50	20	DDGD	
Cc1nc2scc(C)n2c1C=NNC(=O)c1cnn(C)c1	735411120	MGYJFVKRAQNKAP-UHFFFAOYSA-N	302.363	1.510	50	20	DDGD	
CCSc1cc(C(=O)NNC(=O)CC(F)(F)F)ccn1	919751028	MWWGQULRQWMCML-UHFFFAOYSA-N	307.297	1.907	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1Cl	730577155	DHVJHSFHRFBQLD-SNVBAGLBSA-N	314.794	1.615	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@H](CC1CC1)NC(=O)OC(C)(C)C	911445582	YRZAETJYGXWGOJ-CMPLNLGQSA-N	315.414	1.024	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Nc1ccc2c(c1)OCO2)C1CCC1	836373429	HTNMQDYPUASSMW-VIFPVBQESA-N	320.349	1.940	50	20	DDGD	
N#CC1CCC(CNC(=O)NNC(=O)[C@@H]2CCCCO2)CC1	836446856	ZRSOOUBFOLSGQU-BPCQOVAHSA-N	308.382	1.216	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccnc(C(=O)O)c1	832097805	NQPOBAMMXCUIIC-UHFFFAOYSA-N	318.241	1.916	50	20	DDGD	
CN1CCN(CC(=O)NNC(=O)C(C)(C)C)c2ccccc21	744400017	BMBGYCZBLPJVMH-UHFFFAOYSA-N	304.394	1.136	50	20	DDGD	
CC1(C)CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C1	744421899	UIZOIAMPEMVAEA-UHFFFAOYSA-N	300.362	1.051	50	20	DDGD	
CCCC(=NNC(=O)C(=O)NC(C)C)c1cccc([N+](=O)[O-])c1	744817779	OFUHOTOLEPNSRM-UHFFFAOYSA-N	320.349	1.740	50	20	DDGD	
CC(C)Nc1ncccc1C(=O)NNc1ccnc(N(C)C)n1	743485339	ZLXKRMNQCGKVJA-UHFFFAOYSA-N	315.381	1.515	50	20	DDGD	
C[C@@H](C(=O)NN=c1sc2ccccc2n1C)n1cccn1	912977625	XWEOPZBNBSGXQB-JTQLQIEISA-N	301.375	1.629	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C[C@@H]2CCC(=O)[C@H]2C)cc1	846375754	JKLPZJVHTAFSEM-AAEUAGOBSA-N	318.373	1.851	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Cc1ccn(CC)n1)c1ccccc1	844386934	QDPLWJOHJAWLFD-HNNXBMFYSA-N	314.389	1.787	50	20	DDGD	
CC[C@H](C)[C@H](N)C(=O)NNc1ncc(Br)cn1	848436566	WPWVMJQFWIZPGX-XPUUQOCRSA-N	302.176	1.056	50	20	DDGD	
COc1ccnc(NNC(=O)NCC[C@@H]2C[C@H]3CC[C@H]2C3)n1	916647752	DHGSJRPAACWQDR-SDDRHHMPSA-N	305.382	1.938	50	20	DDGD	
CC(C)[C@@H](N)CNC(=O)NNC(=O)Nc1ccc(Cl)cc1	841945041	UMTORFFDLHYXFP-NSHDSACASA-N	313.789	1.659	50	20	DDGD	
COc1ccc(CNC(=O)NNc2ccc(Cl)nc2)cn1	745409217	PYBFANQFUDZRIQ-UHFFFAOYSA-N	307.741	1.965	50	20	DDGD	
Cc1nn(C)c(C(=O)NNc2ccccc2[N+](=O)[O-])c1[N+](=O)[O-]	919970257	WQIZWVJOFTWSEA-UHFFFAOYSA-N	320.265	1.302	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NOCc1cccnc1	746817439	YUANQXLTKNUVBR-UHFFFAOYSA-N	315.333	1.858	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2cccc([N+](=O)[O-])c2)CCN1C	745859165	YGEJTZYEQRXEIY-QWRGUYRKSA-N	307.354	1.704	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCC[S@@](=O)C(C)(C)C	741413082	OTRVEANDRBRPGZ-HXUWFJFHSA-N	307.416	1.273	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1c[nH]c2ccccc12)n1ccnc1	917359379	UYOFOCKITIYXOD-LLVKDONJSA-N	311.345	1.777	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCO[C@H](c2ccccc2)O1)C1CCCC1	847336907	NENLIVOFCLVSSJ-PBHICJAKSA-N	318.373	1.828	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H](C)OCC(C)C)cc1C	915263360	IPZDGIWLFRJIIB-AWEZNQCLSA-N	322.405	1.891	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)CCc1ccco1	748266576	RDNLYOMXQJOOEO-UHFFFAOYSA-N	323.393	1.302	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)Cc1ccc(Cl)cc1	845909450	CJIMBDPAOPCMTF-UHFFFAOYSA-N	305.787	1.336	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1cccc2c1CCCC2	748641395	XBBVGKGXDBHSCK-UHFFFAOYSA-N	310.419	1.921	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1COc2cc(OC)ccc21	749165331	UBVYXTXCRJIVFT-UHFFFAOYSA-N	319.361	1.213	50	20	DDGD	
NCC(F)(F)CNC(=O)NNc1ccccc1C(F)(F)F	841971426	QNTUCTINUGAVFP-UHFFFAOYSA-N	312.242	1.926	50	20	DDGD	
CCC[C@H](C)NC(=O)NNC(=O)c1nnc(O)c2ccccc12	915887080	OJCXLLODAJJTOY-VIFPVBQESA-N	317.349	1.468	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1	910176652	AYLVGCOHRSQNNL-LLVKDONJSA-N	323.393	1.991	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1cc2c(s1)CCC2)n1ccnc1	917361830	YQTJNXUZJGGDSB-SNVBAGLBSA-N	318.402	1.846	50	20	DDGD	
O=C(CN1CCc2ccccc21)NNC(=O)c1ccccc1O	916734670	KJSOLDGOWVZIPZ-UHFFFAOYSA-N	311.341	1.216	50	20	DDGD	
C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H]2C[C@H]2C2CCC2)C[C@@H](C)O1	846630230	QZWLQMYCVRUENF-RJZRQDKASA-N	323.437	1.069	50	20	DDGD	
COc1cc(C=NNC(=O)NC2CCCC2)cc2c1OCO2	743531945	HJRMYOKSEXEGNJ-UHFFFAOYSA-N	305.334	2.000	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)c2ccc3c(c2)OCO3)[C@H]1OC	841605617	RGBXYYGVKNLYBC-ZIAGYGMSSA-N	306.318	1.325	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ncccc1C(F)(F)F	843663094	VJMDRBWXCPHCMP-YUMQZZPRSA-N	317.267	1.286	50	20	DDGD	
Cc1c(C(=O)O)oc2c1C(=NNC(=O)[C@@H]1CCO[C@@H]1C)CCC2	842552094	AWVZRRNVXCZWIW-NXEZZACHSA-N	320.345	1.868	50	20	DDGD	
COc1ccnc(C=NNC(=O)[C@H](C)CN2CCCCC2)n1	842522100	SOCZXWFZMAGTIY-GFCCVEGCSA-N	305.382	1.057	50	20	DDGD	
C=CCOc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	843643500	MSESZDVYDUBJOK-BXUZGUMPSA-N	304.346	1.437	50	20	DDGD	
COc1ncnc(N)c1C=NNC(=O)c1c[nH]c2ccccc12	747625074	CMBBUIZJCXNLCK-UHFFFAOYSA-N	310.317	1.313	50	20	DDGD	
Cn1ncc2cc(C(=O)NN=c3cc[nH]c4ccccc34)cnc21	747518079	IDTQYTZAZDPPJB-UHFFFAOYSA-N	318.340	1.695	50	20	DDGD	
Cc1cc(NNC(=O)c2nc(-c3cnn(C)c3)oc2C)ncn1	752806441	QMTJMFOSAHHAIR-UHFFFAOYSA-N	313.321	1.239	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCS[C@H](C)CC2)cc1	755197911	ASYNGZWPGCWNGU-CYBMUJFWSA-N	321.446	1.583	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(C(=O)NC)cc1	929389902	VZOYRUWLZKRTQW-UHFFFAOYSA-N	302.334	1.002	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1	755863979	AFXFBAJWDINFQK-GHMZBOCLSA-N	321.381	1.258	50	20	DDGD	
CN1C[C@H](C(=O)OC[C@@H](CBr)C2CC2)CC1=O	859492792	RROKZGXIXVCZPY-NXEZZACHSA-N	304.184	1.429	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)C2CCCC2)CC(c2ccccc2)=NO1	856932570	XJBJEBIPTUKWLO-QGZVFWFLSA-N	315.373	1.907	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@H]2C1	852132479	WJECFZVFQBIQRJ-KBPBESRZSA-N	303.362	1.286	50	20	DDGD	
C[C@@]1(CNC(=O)c2cnc3nccnc3c2)C[C@H]1Br	857392648	BFKHPJCLQXJOJF-MFKMUULPSA-N	321.178	1.928	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)o1	753890287	ARYZPIXPOGRVDQ-LLVKDONJSA-N	320.320	1.885	50	20	DDGD	
CC[C@](C)(C=NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C)OC	853378142	SIJACHPYUZWCIT-XNRPHZJLSA-N	322.409	1.805	50	20	DDGD	
C[C@@H]1CN(C)C(=O)CN1C(=O)NC[C@]1(C)C[C@H]1Br	856902155	DPDKWQQFIJNPOI-LNLATYFQSA-N	318.215	1.032	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)C2CCC2)C[C@H]1Br	856900942	ZVKNWHGQAFLZRG-KCJUWKMLSA-N	304.188	1.290	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)Cc2ccncc2)c2[nH]ncc12	756526165	STOXZSKQVCWQIZ-UHFFFAOYSA-N	324.344	1.662	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H](c2cnn(C)c2)C(C)C)n1	927409172	SUUWKTAMXKYMEH-ZDUSSCGKSA-N	317.397	1.850	50	20	DDGD	
COCC(C)(C)C=NNC(=O)C1CCN(c2ncccn2)CC1	754945097	VDZRUXWIASGOJT-UHFFFAOYSA-N	319.409	1.468	50	20	DDGD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NC[C@]1(C)C[C@@H]1Br	857400694	JFHOWQFXYUGJQF-ZPFDUUQYSA-N	320.227	1.860	50	20	DDGD	
Cc1noc(CNC(=O)NC[C@@]2(C)C[C@@H]2Br)n1	856838410	GVDGFVSBTMALGW-OIBJUYFYSA-N	303.160	1.351	50	20	DDGD	
Cc1ccc(OCCCC(=O)NNC(=O)c2cc[nH]n2)cc1	855362819	VXOIYXWWEMQHGY-UHFFFAOYSA-N	302.334	1.338	50	20	DDGD	
CCNC(=O)CN1CCN(/C(=C\C#N)c2ccc(F)cc2)CC1	750792387	ZDWMUYUXPHYNMR-APSNUPSMSA-N	316.380	1.444	50	20	DDGD	
C[C@H]1CC/C(=C/C(=O)OCC(=O)NNC(=O)c2cccs2)C1	754184120	CZLXDOHNCSDNOC-DFYQSJSGSA-N	322.386	1.799	50	20	DDGD	
CC(CC(C)(C)C#N)=NNC(=O)CNC(=O)c1cccs1	853299519	RQJXYKYKIRULBA-UHFFFAOYSA-N	306.391	1.910	50	20	DDGD	
CCCn1nccc1C=NNC(=O)[C@H](C)CN1CCCCC1	853278980	LRHKFEMRZADKOD-CQSZACIVSA-N	305.426	1.865	50	20	DDGD	
CO[C@H]1CCC[C@H](CC(=O)NNC(=O)OCC(F)(F)F)C1	856020507	JZAUEJTXQGHBIB-IUCAKERBSA-N	312.288	1.901	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CC1(C)C	854410042	QGFDYLCWEAOFRG-CQSZACIVSA-N	300.355	1.474	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H](C)[C@@H]2CCCOC2)c1	858353283	KDIOZEHLIWVGRI-GHMZBOCLSA-N	311.407	1.816	50	20	DDGD	
CC1(C)CCC[C@@H]1NCC(=O)NNC(=O)c1ccc(C#N)cc1	755053445	ACIQMYRHTANNHX-AWEZNQCLSA-N	314.389	1.488	50	20	DDGD	
O=C(CCCn1ccccc1=O)NNc1cccnc1Cl	754483461	DUGSWUSGGQCXTP-UHFFFAOYSA-N	306.753	1.820	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)C[C@@H](C)C1(F)F	859414383	VWVPLYVTTMVEAJ-NXEZZACHSA-N	305.369	1.403	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H]1CCOc2ccccc21)C1CC1	855101089	PAIWFGICMLFKAM-GWCFXTLKSA-N	319.430	1.847	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=O)c1cccc(F)n1	856424870	UROUMHJHTRWZMU-OUAUKWLOSA-N	308.357	1.243	50	20	DDGD	
O=C(NNC(=O)c1occc1Br)c1ccccn1	751297350	HTRZADGFOYIOLE-UHFFFAOYSA-N	310.107	1.512	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)N2CCCC2)cc1C(=O)O	865213794	HZBWWUIAKIGAKF-XYOKQWHBSA-N	300.314	1.923	50	20	DDGD	
C[C@H](CBr)CN1CCO[C@@H](c2ccnn2C)C1	933538906	MYRYAQOXHCKQMN-ZYHUDNBSSA-N	302.216	1.824	50	20	DDGD	
COCCn1cc(C(=O)NNc2cccc(C)n2)c(=O)cc1C	862520334	TZYBZRDFBKSCOE-UHFFFAOYSA-N	316.361	1.263	50	20	DDGD	
COCc1ccccc1/C=C(\C)C=NNC(=O)[C@H]1CCC(=O)N1	863150670	YQIHXIGJNSGDKP-LGIKFKGPSA-N	315.373	1.617	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCN(c2ccccc2)C(=O)C1	765266192	NQVDIESYHIPQFU-UHFFFAOYSA-N	318.377	1.122	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NN=C1CCN2CCC[C@H]12	765562409	HAYURXXMJRJFHW-IAQYHMDHSA-N	305.353	1.933	50	20	DDGD	
CCc1nn(C)cc1NC(=O)NNCC(F)(F)C(F)(F)F	860872841	BWCIORGEVOUPPH-UHFFFAOYSA-N	315.246	1.806	50	20	DDGD	
CCOC(=O)c1cnc2ccccc2c1N1CC[C@H](B(O)O)C1	864234676	ZPOFZXSINONEHB-NSHDSACASA-N	314.150	1.465	50	20	DDGD	
C[C@H]1CN(C)CC1=NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	764815558	RCCSTPCNLMTWCJ-JTQLQIEISA-N	315.352	1.883	50	20	DDGD	
COCCOC1CCC(C(=O)NN[C@@H](C)C(F)(F)F)CC1	862318962	ZZCQCJURIIKXTN-WHXUTIOJSA-N	312.332	1.780	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)CCNC(C)(C)C	935845067	JWRDCXQZYFAMHT-UHFFFAOYSA-N	311.357	1.834	50	20	DDGD	
CC[C@@]1(C(=O)NNc2ncnc3ccsc23)CCNC1=O	866728738	CKYBUUZFJSDMOA-CYBMUJFWSA-N	305.363	1.051	50	20	DDGD	
C[C@@H](NNC(=O)c1cc2c(nc1O)CCCC2=O)C(F)(F)F	862307189	USZNJSAYJVFYFY-ZCFIWIBFSA-N	317.267	1.491	50	20	DDGD	
CC[C@H](C)[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)C(F)(F)F	861021549	FJMZWOAOZAHVRO-POYBYMJQSA-N	307.276	1.331	50	20	DDGD	
C[C@@H](NNC(=O)[C@@]1(c2ccccc2)CNC(=O)C1)C(F)(F)F	862319864	LWYPYVQADGBSLI-NOZJJQNGSA-N	315.295	1.016	50	20	DDGD	
CC(=O)Nc1ccc(NCc2ccc(B(O)O)cc2)cc1Cl	864019578	LSKMTWZSXKFNPJ-UHFFFAOYSA-N	318.569	1.590	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccco1)c1ccccc1Cl	1116723162	CWBHHZQMHJVXPG-UHFFFAOYSA-N	300.723	1.556	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(-c2ccc(OC)cc2)on1	879366187	SPLRADDDUHFLQH-UHFFFAOYSA-N	318.333	1.656	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(CN2CCOC2=O)cc1	878367015	HUCXVCGFLIPZGW-UHFFFAOYSA-N	322.365	1.254	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(C)n(CC)c1C	771909673	QXSMHFBXRPSLPA-NSHDSACASA-N	309.366	1.228	50	20	DDGD	
CCC[C@H](CNC(=O)NNc1nc2ccccn2n1)OCC	875782286	MULREPMCMZFPEG-LLVKDONJSA-N	306.370	1.561	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc(OCC#N)cc2)n1	1116673437	SYLXTDJSXHOBGQ-UHFFFAOYSA-N	314.305	1.536	50	20	DDGD	
CN1CCc2ccc(NC(=O)NNc3ccccn3)cc2C1=O	779071457	LTJRTTIHOIKERL-UHFFFAOYSA-N	311.345	1.858	50	20	DDGD	
C[C@@](NC(=O)NNC(=O)CCO)(c1ccccc1)C(F)(F)F	1119937410	AKYPROQCNDJFNV-GFCCVEGCSA-N	319.283	1.177	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)c2nc3ccccc3s2)CC1	874914426	WSOLTMYVHTXJAQ-UHFFFAOYSA-N	319.386	1.874	50	20	DDGD	
O=C(CN1CCCC1)NNC(=S)Nc1cccc(Cl)c1	873787131	VCZIGSGZZDYRGS-UHFFFAOYSA-N	312.826	1.753	50	20	DDGD	
CC[C@@H](C#N)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874954047	PZDRWCQRURFUIW-JTQLQIEISA-N	305.407	1.620	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNC(=O)NC1CCCCC1)C(C)C	873771691	IALMSLXFHVFZRN-GFCCVEGCSA-N	313.398	1.485	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](C)c2cnccc2C)o1	771436820	AYZCFDBAHGVIBA-LLVKDONJSA-N	302.334	1.997	50	20	DDGD	
O=C(NNc1ccccn1)c1cc(F)ccc1N1CCOCC1	777471604	QJWYIDZPFUQVQJ-UHFFFAOYSA-N	316.336	1.814	50	20	DDGD	
COCC1(C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)CC1	778531517	HGLSKBVTFCUUQK-CYBMUJFWSA-N	320.389	1.645	50	20	DDGD	
COCCN(C)NC(=O)Nc1nc(CC(F)(F)F)cs1	879687863	PLXLCHHRINTWNM-UHFFFAOYSA-N	312.317	1.863	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C(C)(C)Cc1ccccc1	772137930	SMTUQPRIGAGBAE-GFCCVEGCSA-N	320.389	1.744	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)n1	1116179112	CUFVDIXTYPXAHV-QMMMGPOBSA-N	302.382	1.755	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)COc2ccc(F)cc2)co1	771886475	YXMFIZZOBFNUSW-UHFFFAOYSA-N	307.281	1.216	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccoc1Br	770443049	WTIJYRDEMUWOEE-UHFFFAOYSA-N	313.111	1.148	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)/C=C\CN1CCOCC1	885126996	JZECCYVPEYNGMK-IHWYPQMZSA-N	309.797	1.980	50	20	DDGD	
C[C@@H]1COCCCN1C(=O)NNC(=O)c1cccc(C#N)c1	773004103	FOPOBHRTNCNZQP-LLVKDONJSA-N	302.334	1.023	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)[C@H]3CCCC3(C)C)nc21	772991590	AIDRZNHLDFMKEC-SECBINFHSA-N	304.354	1.338	50	20	DDGD	
CC(C)(NCC(=O)NNC(=O)c1cccs1)c1nccs1	777616719	DPELHDNEBFQGAA-UHFFFAOYSA-N	324.431	1.491	50	20	DDGD	
CCSCc1cc(C(=O)NNC(=O)C2CCOCC2)no1	883068437	VBKGSLPCNRXVBB-UHFFFAOYSA-N	313.379	1.115	50	20	DDGD	
COC(=O)CCC1CCN(S(=O)(=O)CCCCl)CC1	881982421	ZKPICDLIHQBXFF-UHFFFAOYSA-N	311.831	1.610	50	20	DDGD	
Cc1csc2ncc(C(=O)NNc3ccccn3)c(=O)n12	777474905	DIQYRZJLLZVIPE-UHFFFAOYSA-N	301.331	1.216	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)COCc1nncn1C	885126681	DDEIZHCRXLYOJG-UHFFFAOYSA-N	309.757	1.437	50	20	DDGD	
CC1(C)CN(S(=O)(=O)CCCCl)C[C@H](C(F)(F)F)O1	882218371	XRWYLVWYFFKAFQ-MRVPVSSYSA-N	323.764	1.987	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C/c1cn(-c2ccccc2)nn1	786041022	UFXUFOYMJAHSCR-NTEUORMPSA-N	302.359	1.957	50	20	DDGD	
CC1(C)Cc2cc(C(=O)NNC(=O)C3CCOCC3)ccc2O1	883071904	QRUHDPCVPCXMLH-UHFFFAOYSA-N	318.373	1.588	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(F)c(F)cc1F	785590797	IDVSNCOWTXNAKT-LURJTMIESA-N	318.251	1.207	50	20	DDGD	
C[C@H]1CCCCN1[C@H](C)CNS(=O)(=O)CBr	782413613	BIJBAJRYGXDDCI-VHSXEESVSA-N	313.261	1.521	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1ccc(C#N)cc1Cl	788438670	BYHXJJAWSHKPSV-UHFFFAOYSA-N	319.796	1.893	50	20	DDGD	
COC(=O)c1ccc(F)c(S(=O)(=O)N2CC=C(C#N)CC2)c1	780927775	KGCWIVXSXRLSDU-UHFFFAOYSA-N	324.333	1.457	50	20	DDGD	
C#CCCCCCC(=O)OCC(=O)NNC(=O)c1cccs1	780254732	DSXUOTHISWDNAJ-UHFFFAOYSA-N	322.386	1.636	50	20	DDGD	
CCOCCOCCNC(=O)/C(C#N)=C\c1ccc(F)cc1	885763142	XXWJINZJLWEKHI-KAMYIIQDSA-N	306.337	1.902	50	20	DDGD	
COCCN(C)NC(=O)Nc1nnc([C@@H]2CCCO2)s1	880883766	PUIVJKYSYNPOHS-QMMMGPOBSA-N	301.372	1.004	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNc1ncncc1Cl	781804301	GIEDVGZANGLJEL-JTQLQIEISA-N	311.773	1.364	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C\c2cnn(CC3CCC3)c2)n1	899365151	QDUXNKMYRORTBF-AUWJEWJLSA-N	310.361	1.962	50	20	DDGD	
O=C(NNc1cccnn1)C(=O)Nc1ccc(F)cc1Cl	784858475	NPSFKRCIZKBCKE-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
C[C@H]1CC[C@@H](C(F)(F)F)CN1CC(=O)NNC(=O)C1CC1	780385405	IIPSNIGFQVAVDU-WCBMZHEXSA-N	307.316	1.207	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)NC2CCCCC2)nc1	789869382	NUSCFHMEWLTJNF-UHFFFAOYSA-N	306.366	1.296	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(C)c(N2CCNC2=O)c1	786356875	DKONYNFZHRAZRP-UHFFFAOYSA-N	305.338	1.087	50	20	DDGD	
CN(C)[C@@H]1CCCC(=NNC(=O)[C@H]2COc3ccccc3O2)C1	788408660	VMMAWWBBCIIDGS-CZUORRHYSA-N	317.389	1.803	50	20	DDGD	
C[C@@H](C(=O)NNC(=S)NC(C)(C)C)N1CCCCCC1	899994864	CDCCTIPMRAITBL-NSHDSACASA-N	300.472	1.545	50	20	DDGD	
N[C@H]1C[C@H](CNC(=O)NNc2ccc(OC(F)F)cc2)C1	892578155	RRIHYHGFWRRYSD-KYZUINATSA-N	300.309	1.651	50	20	DDGD	
CO[C@@]1(C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)CCSC1	897420405	SWQSFDRZVBILLQ-LBPRGKRZSA-N	315.326	1.699	50	20	DDGD	
C[C@H]1Cc2cc(C(=O)NNC(=S)NC(C)(C)C)ccc2O1	899999848	YLPFODXFDFZWCC-VIFPVBQESA-N	307.419	1.917	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NNc1ccc(C(F)(F)F)nn1	897198989	OETOAKLKJNPUOC-QMMMGPOBSA-N	317.315	1.811	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC=C(c2ccco2)C1	796121774	XQMXIDNCEKCJJE-UHFFFAOYSA-N	305.378	1.562	50	20	DDGD	
CCc1cccc(CC)c1NC(=S)NNC(=O)c1ncon1	899574718	AXNSUKSVLDWRDI-UHFFFAOYSA-N	319.390	1.826	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccoc1)c1cccc2ncccc12	795318988	PXOHEFJTVKICDS-UHFFFAOYSA-N	317.326	1.451	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1cccc(C)c1C#N	792375016	CGJPIACZFDITMI-UHFFFAOYSA-N	309.329	1.652	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCC#Cc2ccccc2)n1	792791247	HMOYWETVMMDSFR-UHFFFAOYSA-N	308.341	1.386	50	20	DDGD	
CS(=O)(=O)c1ccc(/C=C(\C#N)C(=O)[C@H]2CCCOC2)cc1	794885560	YPGDWNDEHGRCDQ-FYQHACEVSA-N	319.382	1.993	50	20	DDGD	
CSSCCNC(=O)c1ccc(F)c(S(C)(=O)=O)c1	791099298	CAFUINVGINSGTP-UHFFFAOYSA-N	323.436	1.970	50	20	DDGD	
CSSCCNC(=O)NCCN1CCN(C)C(C)(C)C1	790855033	WIBXKFQVAMVQOR-UHFFFAOYSA-N	320.528	1.323	50	20	DDGD	
CSC[C@@H]1CCCN([C@H](C)C(=O)NNC(=O)CC(C)C)C1	795597817	FLQGEROULOUPIY-CHWSQXEVSA-N	315.483	1.643	50	20	DDGD	
CCc1ccc2occ(C(=O)NNC(=O)c3cnn(C)c3)c2c1	796530603	WCOCXLYWPKBZJU-UHFFFAOYSA-N	312.329	1.804	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)C(=O)Nc1ccccc1	793066891	ZDYQOLOXMHHVCF-UHFFFAOYSA-N	322.324	1.610	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccccc1OCc1cccnc1	1318900811	SGDQIFNQFNBTGP-UHFFFAOYSA-N	313.313	1.284	50	20	DDGD	
CC(C)NC(=S)NNC(=O)Cc1ccc(-n2cccn2)cc1	1317861612	XOUIDLLQPVZYLF-UHFFFAOYSA-N	317.418	1.319	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cnn(C2CCCCC2)c1	1328013353	LOHVBBGVSYIDDE-CQSZACIVSA-N	320.393	1.718	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)C2CCNCC2)cccc1N(C)C	1327431331	PSFPKKKPPRFRBF-UHFFFAOYSA-N	319.409	1.213	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cn3c(C)cccc3n2)n1	1321252375	YQFHMSHJKQTJSY-UHFFFAOYSA-N	309.329	1.421	50	20	DDGD	
O=C(CN1CCC(CO)CC1)NNc1ccc(Cl)cc1F	1336095037	OEKXGJQGHUTPAV-UHFFFAOYSA-N	315.776	1.627	50	20	DDGD	
CN(C)c1ccc(CCNC(=O)NNC(=O)C2CCCC2)cc1	1338972089	CGMUOQGQFRZIQN-UHFFFAOYSA-N	318.421	1.816	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1cccc2c1[C@@H](C)CC2(C)C	1337909637	YYHMPCRCMFCGPB-VIFPVBQESA-N	303.362	1.577	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCSC[C@@H]1CO	1262617485	SOVLBLLUDAADQD-IUCAKERBSA-N	310.257	1.732	50	20	DDGD	
C[C@@H]1CN(c2nnnn2C[C@@]2(C)C[C@@H]2Br)CCO1	1262471710	TWINUYZVSZLNBF-WCABBAIRSA-N	316.203	1.072	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)N2CCCCCC2)C[C@@H]1Br	1347965607	PESRFLWPFIWURP-GWCFXTLKSA-N	317.227	1.679	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCSSC)cc1	1342480505	RDKQEBZHNZPOMI-UHFFFAOYSA-N	315.420	1.650	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2CCCC[C@H]2CN)cc1	1261377040	GNSKTPCULDBASQ-GXTWGEPZSA-N	320.393	1.157	50	20	DDGD	
COc1nc(Cl)c(C=NNC(=O)c2ccccc2F)n1C	1347622135	JHZXCIFTKBXZOO-UHFFFAOYSA-N	310.716	1.985	50	20	DDGD	
CNS(=O)(=O)[C@@H]1CCCN(C(=O)C2CCC(Cl)CC2)C1	1520995962	XSWRRDIFUXSTLZ-HTAVTVPLSA-N	322.858	1.324	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)c(F)c1)c1cn2c(n1)COCC2	1608480860	DBDYUSNRRAZVFC-UHFFFAOYSA-N	320.280	1.008	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)/C=C\c1ccc(C(=O)O)o1	1603350248	RKBXIZQQPXANAC-ALCCZGGFSA-N	311.363	1.285	50	20	DDGD	
CO[C@@H]1CCCC[C@H]1C(=O)NNc1ccc(CC(=O)O)cc1	1606748966	XECWLELHMLCMSV-ZIAGYGMSSA-N	306.362	1.962	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2cc(C(=O)O)no2)c(C)c1	1600460013	YDNVKAKDMXQMEC-UHFFFAOYSA-N	316.317	1.552	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(C)c(C(=O)O)o2)c(C)o1	1600095857	VBENKTOCFOTNHE-UHFFFAOYSA-N	306.274	1.571	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@H]2CC[C@H]3CCCCN23)c1	1602448444	NVGHKIOPLKQTEW-KGLIPLIRSA-N	303.362	1.845	50	20	DDGD	
COc1cccc(F)c1C=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549312165	CMJIYCBYNKUORV-XHDPSFHLSA-N	321.352	1.148	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1C[C@H](O)C[C@@H](C(=O)O)C1	1610619220	SGZFJEZIRJRJHF-PZKZJRIJSA-N	318.304	1.027	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H](N)c2c(F)cccc2F)n1	1579282874	OQUYJJYMPMZBIP-ZDUSSCGKSA-N	308.288	1.512	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@]23CCC[C@@H]2NCC3)ccc1F	1578860462	RYGBIWIILXWFMQ-XJKSGUPXSA-N	321.352	1.588	50	20	DDGD	
C[C@@H](CCN)NC(=O)NNc1cc(Cl)nc2ncccc12	1575955759	QPYQMNZIGQTCJQ-QMMMGPOBSA-N	308.773	1.647	50	20	DDGD	
C=C(CBr)CN[C@H](Cc1cncs1)C(=O)O	1588605331	HNPLYRWAMAPFFZ-SECBINFHSA-N	305.197	1.680	50	20	DDGD	
C[C@](C#N)(CC(=O)O)C(=O)NNc1nccnc1C1CCC1	1588541947	OPCJHVWHVGYQLG-CQSZACIVSA-N	303.322	1.192	50	20	DDGD	
O=C(COc1ccsc1)NNc1ccc(-c2nn[nH]n2)cc1	1592899099	OIYPMPJAAGSNOZ-UHFFFAOYSA-N	316.346	1.450	50	20	DDGD	
Cc1ccnc(NNC(=O)c2c(C)cc(-c3nn[nH]n3)cc2C)c1	1592275486	NUQOCOIJYXDADO-UHFFFAOYSA-N	323.360	1.944	50	20	DDGD	
CC(=NNC(=O)c1cccc(C#N)c1)c1cncc(C(=O)O)c1	1776042573	BTASXICPERNQAT-UHFFFAOYSA-N	308.297	1.805	50	20	DDGD	
N#Cc1cccc(C(=O)NN=Cc2ccc(CCC(=O)O)o2)c1	1776042598	DXTBZUXCHQXKLR-UHFFFAOYSA-N	311.297	1.932	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C	15243511	UPUBSSXDGMTHTQ-UHFFFAOYSA-N	317.323	1.151	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc[nH]2)c(Br)n1	160200803	YPNHSCXIDPNUEB-UHFFFAOYSA-N	323.150	1.555	50	20	DDGD	
CC[C@H]1CCCCN1CC(=O)NNC(=O)c1cccc(C#N)c1	164708154	JVWNBVKTPAZLCT-HNNXBMFYSA-N	314.389	1.584	50	20	DDGD	
CCC(=CC(=O)NNC(=O)c1ccc2c(c1)OCCO2)CC	164832550	ZGXCFWOBWACRSI-UHFFFAOYSA-N	304.346	1.965	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CCn2ccccc2=O)c1	157465747	DWGXXCFHHCEGBY-UHFFFAOYSA-N	305.309	1.529	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cc2c[nH]c3ncccc23)cc1	157965308	SSYNWXFDQMDBSC-UHFFFAOYSA-N	319.324	1.438	50	20	DDGD	
Cn1cnc(CNS(=O)(=O)c2ccc(CCCl)cc2)c1	908089291	AMYMQQAFTCGMLD-UHFFFAOYSA-N	313.810	1.680	50	20	DDGD	
O=C(O)c1csc(S(=O)(=O)NCC(Cl)Cl)c1	309266222	FHDUXJBHMXEXBN-UHFFFAOYSA-N	304.176	1.528	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cccc(C)c1O	290236	YMZTVYPDUZJCFF-UHFFFAOYSA-N	300.314	1.784	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2ccccn2)cc1	6428704	MSXMLCNSSFARNW-UHFFFAOYSA-N	301.371	1.943	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNC(=O)[C@H](C)Oc1ccccc1F	7698038	CJRQOUFELIMLPZ-SPQRFVMMSA-N	321.308	1.184	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNC(=O)[C@H](C)Oc1ccc(F)cc1	7698578	SVGPOXOLJCKLCC-SPQRFVMMSA-N	321.308	1.184	50	20	DDGD	
O=C(Nc1cccc(C(=O)NNc2ncccn2)c1)NC1CC1	56099292	XEZKCTFWVBWHFP-UHFFFAOYSA-N	312.333	1.517	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)CC[C@H]1CCOC1	177119756	BEFJOORVMJRWOW-HNNXBMFYSA-N	304.390	1.973	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cccc3ncccc23)nc1	107597820	LGEDPKNHTPYGNV-UHFFFAOYSA-N	317.308	1.576	50	20	DDGD	
O=C(NNC(=O)c1cccc2ncccc12)c1ccc(O)nc1	106812984	NBLCDZLRTZTLGX-UHFFFAOYSA-N	308.297	1.410	50	20	DDGD	
CC(=O)N[C@H](CC(=O)NNC(=O)C1CC1)c1ccc(Cl)cc1	22882140	XSWYAHXVBUEWEG-CYBMUJFWSA-N	323.780	1.465	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cc(Br)c[nH]1)C1CC1	175211614	UEHYJNYIHGJJLL-ZCFIWIBFSA-N	300.156	1.584	50	20	DDGD	
O=C(Cn1cc([N+](=O)[O-])cn1)NNc1cc(F)c(F)cc1F	172090708	XTGSTJCBBWDGCE-UHFFFAOYSA-N	315.211	1.352	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1COc2ccccc2O1	302857826	QTPMVUHLXQLDDO-OHTBPHCPSA-N	316.357	1.410	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1cccc2cccnc12	172200409	WJMDACSIXJNPRW-UHFFFAOYSA-N	321.402	1.981	50	20	DDGD	
COc1csc(C(=O)NNC(=O)c2ccc(C#N)cc2)c1	176684980	IWFXNJIXEUCALC-UHFFFAOYSA-N	301.327	1.703	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)no1	68731621	BUVQUDVGKUFLFZ-LBPRGKRZSA-N	317.345	1.828	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Cc1cccc2cccnc12	110761017	QVUULKUJNIKFGQ-UHFFFAOYSA-N	309.329	1.270	50	20	DDGD	
CO[C@H](C)CC(=O)NNC(=O)c1cccc(OC(F)F)c1	171207466	ZZJIYLOKDVTHRZ-MRVPVSSYSA-N	302.277	1.474	50	20	DDGD	
C[C@H]1CCc2nc(C=NNC(=O)c3ncccn3)sc2C1	1261374753	SNWWBYIYXFKRMC-VIFPVBQESA-N	301.375	1.822	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCc2c(C)noc2C)o1	177290526	KTYFMNPNPUYEPT-UHFFFAOYSA-N	306.322	1.380	50	20	DDGD	
C[C@@H]1C[C@@H]1CNC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1261765893	TXFARXDFHYSZBC-MFYTUXHUSA-N	303.200	1.048	50	20	DDGD	
CNC[C@H](C)CNC(=O)NNc1cccc(Br)n1	1261375976	DYDBSWBIYVLGLA-QMMMGPOBSA-N	316.203	1.326	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(F)cc(F)c2)nc1	179787176	IRUUCQAPCAVHHO-UHFFFAOYSA-N	307.256	1.903	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)OC[C@H]2CCCCO2)nc(C)n1	128924456	HWSRYPWZQQBMTE-WCQYABFASA-N	308.382	1.511	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1	123286766	DVFBXAUZWIRINC-UHFFFAOYSA-N	320.736	1.078	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)c2ccccc12	186107674	UNBXQTIZVUURPE-UHFFFAOYSA-N	324.340	1.575	50	20	DDGD	
O=S(=O)(CBr)NCCc1c[nH]c2ccccc12	126622449	XGFCBILGEYPZPS-UHFFFAOYSA-N	317.208	1.982	50	20	DDGD	
CCC1(CC)NC(=O)N(CC(=O)NNc2ccccc2)C1=O	72205872	KCSIZVLLPYEGMQ-UHFFFAOYSA-N	304.350	1.240	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(=O)n(-c2ccccc2)n1	77220331	KDDIOCPCYRNDCN-UHFFFAOYSA-N	314.345	1.040	50	20	DDGD	
Cc1ccc(CC(=O)NNc2cccc(S(C)(=O)=O)c2)cn1	181135818	WBYPSKLIWBGJFL-UHFFFAOYSA-N	319.386	1.479	50	20	DDGD	
CCS(=O)(=O)Nc1ccc(NC=C(C#N)C#N)cc1OC	127552445	VZQQGFIXUMXSFK-UHFFFAOYSA-N	306.347	1.800	50	20	DDGD	
CC[C@@H]1C[C@@H](C(=O)NNC(=O)CCc2ccccc2O)CCO1	180091762	ZLRFRDJCTKLPSF-UONOGXRCSA-N	320.389	1.677	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)Cc2cncs2)c1	187444979	AUTZPLZELQVTAE-UHFFFAOYSA-N	316.411	1.685	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@H]1CCN(Cc2ccccc2)C1	79225090	RYWPISHZORUHHC-AWEZNQCLSA-N	318.421	1.637	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2ccc(F)cc2C)n1	182907042	MKYIENNLEPITAB-UHFFFAOYSA-N	319.340	1.800	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNc2cc(C)nc(C)n2)c1	128787908	IGRCEUXLXPXYRV-UHFFFAOYSA-N	300.318	1.637	50	20	DDGD	
O=C(NCCCOCCc1ccccc1)NNc1cccnn1	77346463	OUZPSZUXCZCWIG-UHFFFAOYSA-N	315.377	1.752	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)COc1cc(C)cc(C)c1	132034761	UVAGLEBCCTWMRZ-CYBMUJFWSA-N	308.378	1.645	50	20	DDGD	
N#CCc1ccc(NC(=O)NNC(=O)Cc2cccnc2)cc1	183363213	HWYAEPZLSZLFHZ-UHFFFAOYSA-N	309.329	1.543	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCOc2ccccc2)o1	84140223	DXPYUOSQEJKIMY-UHFFFAOYSA-N	303.318	1.611	50	20	DDGD	
COCCc1noc(CN(C)C[C@H](C)CBr)n1	133898316	WXCOHMAFKAFJJZ-SECBINFHSA-N	306.204	1.721	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)c2cccc(N(C)C)c2)cn1	80003082	VKBQKGFGDPVVDP-UHFFFAOYSA-N	312.373	1.460	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1csc(C2CC2)n1	191884949	ULJSUFHITLYHLU-UHFFFAOYSA-N	300.347	1.820	50	20	DDGD	
CNC(=O)NNC(=O)Cc1cc(Cl)ccc1Br	137384339	JHMAQXFHZYACFV-UHFFFAOYSA-N	320.574	1.605	50	20	DDGD	
COc1cccc(NNC(=O)c2n[nH]c3c2CCCCC3)n1	191003342	RJQUIPBGQYLGRC-UHFFFAOYSA-N	301.350	1.839	50	20	DDGD	
C[C@H](NC(=O)c1ccco1)C(=O)NNc1ccccc1[N+](=O)[O-]	47871031	GKDYROVOAVYXCQ-VIFPVBQESA-N	318.289	1.449	50	20	DDGD	
CNC(=O)CCCN(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	194803386	QZZISFGEJFGROG-RAXLEYEMSA-N	301.346	1.284	50	20	DDGD	
CCc1noc(CCCC(=O)NNC(=O)NCc2ccco2)n1	138875350	ARUPLVFEUUUIED-UHFFFAOYSA-N	321.337	1.078	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCN(CC(F)(F)F)CC1	88927447	ACVZTVQQYIIYAO-UHFFFAOYSA-N	322.780	1.515	50	20	DDGD	
C[C@@H](NC(=O)c1ccoc1)C(=O)NNC(=O)CC1CCCC1	195208310	IKBHREGPIXDJGC-SNVBAGLBSA-N	307.350	1.126	50	20	DDGD	
O=C1O[C@H](C(=O)NNc2cccnc2Cl)Cc2ccccc21	85683550	RPKHEXODOYJHBU-LBPRGKRZSA-N	317.732	1.960	50	20	DDGD	
CC(C)(C)NS(=O)(=O)c1ccccc1NNC(=O)C(F)F	194793782	SMAMDYLYLMQITB-UHFFFAOYSA-N	321.349	1.472	50	20	DDGD	
COc1ccnc(C(=O)NNc2cc(C#N)cc(Cl)n2)c1	93546414	QWSYACSNNIGAEH-UHFFFAOYSA-N	303.709	1.767	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2ccc(Cl)nc2)n1	147157735	BNCQKXIPAAXYNK-UHFFFAOYSA-N	322.756	1.401	50	20	DDGD	
Cc1nnc(CC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)o1	263949053	DDNPNDDABWORPY-UHFFFAOYSA-N	318.377	1.284	50	20	DDGD	
CCS(=O)(=O)c1ccc(C(=O)NNC(=O)C2CCC2)cc1	264758485	MLEIRSFQOBMNSY-UHFFFAOYSA-N	310.375	1.041	50	20	DDGD	
CSC[C@H](C)NC(=O)NNC(=O)COc1cccc(C)c1	265477459	NWQYMAHJHKDJLC-NSHDSACASA-N	311.407	1.456	50	20	DDGD	
CSc1cccc(NC(=O)C(=O)NNC(=O)CC(C)C)c1C	274252512	ZWOLLMCSKCSIAF-UHFFFAOYSA-N	323.418	1.849	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NNc2cccc(F)c2[N+](=O)[O-])C1	279589994	FMQJTVRLFKDVPK-SECBINFHSA-N	324.312	1.436	50	20	DDGD	
O=C(NC[C@H]1CCSC1)NNC(=O)c1c[nH]c2ccccc12	279817653	BYTSPCQSFVOAQN-SNVBAGLBSA-N	318.402	1.865	50	20	DDGD	
CN(NC(=O)C(=O)Nc1ccnn1C(C)(C)C)c1ccccc1	275706733	PIAXEOKLCVGRJQ-UHFFFAOYSA-N	315.377	1.744	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)C2CCC2)cc1F	272891378	YSMGYCBPRPBVCR-UHFFFAOYSA-N	309.297	1.565	50	20	DDGD	
CSCC[C@@H](O)C(=O)N/N=c1/sc2ccccc2n1C	270771051	QCPIGEHVQOZYQD-NIZNLAEJSA-N	311.432	1.286	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCC[C@H]1CCCCO1	272587349	QLGCPZMLKZOJQB-GFCCVEGCSA-N	321.377	1.598	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ncccc2F)c2ccc(F)cc2N1	375925202	RXKKIHUTDKUFPG-JTQLQIEISA-N	318.283	1.929	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1	282227435	DFLCZXAEKOJVRP-QWHCGFSZSA-N	320.393	1.216	50	20	DDGD	
COC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)c1cccc(Cl)c1	285153006	OWEVYCVIEURCEH-MNOVXSKESA-N	310.737	1.300	50	20	DDGD	
CN(CCC(=O)NNc1cccc(F)n1)C(=O)OC(C)(C)C	286700120	YJGYKUUIJADTLY-UHFFFAOYSA-N	312.345	1.921	50	20	DDGD	
Cc1cccc(C2(C(=O)NNC(=O)NCC(F)(F)F)CC2)c1	281153752	HOYMUVYBRNZTFL-UHFFFAOYSA-N	315.295	1.919	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc2cnn(CC)c2nc1C	281717583	HLANKAJTTKCEFU-UHFFFAOYSA-N	318.406	1.055	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)C(C)(C)Cc1nc2ccccc2[nH]1	282519513	XYORLVQMNDJRDT-UHFFFAOYSA-N	318.377	1.050	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(C2CC2)cnc1Cl	280697250	FFGGSLNIPYIRGD-UHFFFAOYSA-N	310.810	1.907	50	20	DDGD	
COCCN(C)NC(=O)c1cc(C)n(-c2cc(C)on2)c1C	288545816	PDJINKGCKHDXTK-UHFFFAOYSA-N	306.366	1.614	50	20	DDGD	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1cnc2ccccc2n1	285992669	GNSVTFCLVFKPIJ-VHSXEESVSA-N	300.318	1.272	50	20	DDGD	
O=C(NNc1ccc2c(O)nccc2c1)[C@]1(O)CCSC1	285781792	SRGCBJCMXPSGBP-AWEZNQCLSA-N	305.359	1.252	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc2c(C)cc(O)nc2c1	289375230	BSFUXCSLJJWDEN-UHFFFAOYSA-N	302.334	1.555	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CCCCN2C(C)=O)c1	285494867	AFMNQRUTSFGWCF-AWEZNQCLSA-N	319.361	1.317	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNC(=O)Nc1ccc(Cl)cc1	283788562	SSVWJASBEFTPPO-QMMMGPOBSA-N	313.741	1.692	50	20	DDGD	
COCCOc1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)cc1	295250806	AFQWBTKKBJLLOD-AWEZNQCLSA-N	322.361	1.042	50	20	DDGD	
C[C@H](OCCc1ccccc1)C(=O)NNc1ncncc1F	295337573	NIKPBMIQZFJFQQ-NSHDSACASA-N	304.325	1.707	50	20	DDGD	
CN(C)c1cc(C#N)cc(C(=O)NNC(=O)CC2CCCC2)c1	294755258	ASOXOOBNGCLNJP-UHFFFAOYSA-N	314.389	1.966	50	20	DDGD	
CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NNc1ccncn1	295473597	MSIBBSJXWGYFCB-GFCCVEGCSA-N	319.390	1.436	50	20	DDGD	
O=C(NNC(=O)C1(c2cccc(F)c2)CCC1)[C@H]1CCCCO1	295280896	CQSAAJIGSZKZRR-CQSZACIVSA-N	320.364	1.964	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@@H](O)c1ccccc1	803430950	OOFGFKPTGUVVJD-HNNXBMFYSA-N	309.325	1.705	50	20	DDGD	
COc1cccc(OCCC(=O)NNC(=O)NC2CCCC2)c1	294575198	BFTYQGSYNLBIGF-UHFFFAOYSA-N	321.377	1.737	50	20	DDGD	
C#Cc1cncc(C(=O)NNC(=O)c2cccc3ncccc23)c1	806809627	IRZGCVNSEVVIRW-UHFFFAOYSA-N	316.320	1.686	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ccc([N+](=O)[O-])cc2C)no1	805386449	QHNBSACJMGLWSQ-UHFFFAOYSA-N	319.277	1.281	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H](C)n1ccc2ccccc2c1=O	806340205	OTSWFMQAAKEUAG-LLVKDONJSA-N	301.346	1.366	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccc(-n3ccnc3)nn2)c(F)c1	804956361	KWWVWIJTIRTDFN-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)CCNC(=O)C(C)(C)C)c1	293921266	LVSXYUGIFZVESJ-UHFFFAOYSA-N	320.393	1.641	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2C)on1	805375459	MYGBBABINXBTRA-UHFFFAOYSA-N	320.261	1.435	50	20	DDGD	
N#CCCCCCC(=O)NNC(=O)CNC(=O)c1cccs1	805174913	RECXSDGDHFOOAF-UHFFFAOYSA-N	322.390	1.099	50	20	DDGD	
Cc1cccc2c(O)c(C(=O)NNC(=O)[C@@H]3CCCO3)cnc12	295251242	FTUIDAWDXCAFSA-LBPRGKRZSA-N	315.329	1.189	50	20	DDGD	
COCCOc1cncc(C(=O)NNC(=O)c2ccccc2)c1	800793319	JPHFDFFFQACEOP-UHFFFAOYSA-N	315.329	1.182	50	20	DDGD	
C[C@@H](OC[C@H]1CCCCO1)C(=O)NNC(=O)c1ccccc1F	299355685	XAJJTZCYOMCJOO-VXGBXAGGSA-N	324.352	1.561	50	20	DDGD	
Cn1nnc2c1C[C@@H](C(=O)NNc1cnc3ccccc3n1)CC2	290381010	INXOOLNZIIYTNI-JTQLQIEISA-N	323.360	1.007	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)COc1ccccc1CC)C(C)C	297170329	ADTOAQLEHNAWES-AWEZNQCLSA-N	317.389	1.616	50	20	DDGD	
COC(=O)N(C)NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1	804124372	STOZUMSYOLNQHJ-SNVBAGLBSA-N	315.370	1.409	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNc2ncccc2F)c1	807301617	DXKFJJSVORDOQT-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
COc1cccc(OC)c1C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	293946322	PTMBKSRYHJAECS-CABZTGNLSA-N	308.334	1.032	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)N=c2cc[nH]cc2)c1	802031910	MQSYPFKVRVJMFA-GFCCVEGCSA-N	314.345	1.432	50	20	DDGD	
Cc1ccc(C)n1-c1ccc(C(=O)NNc2cnnn2C)cc1	816771021	VOEFTISWEOHRON-UHFFFAOYSA-N	310.361	1.980	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1ccc2c(c1)OCO2	813464748	GMVMLQZVJLYHHR-UHFFFAOYSA-N	300.274	1.277	50	20	DDGD	
COc1nccnc1NNC(=O)c1ncoc1C(F)(F)F	816971287	YPXFREAZCXRPAB-UHFFFAOYSA-N	303.200	1.249	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1cc(C(=O)O)c(C)nc1C	814957420	QUMASIBDEAFMJV-UHFFFAOYSA-N	315.333	1.203	50	20	DDGD	
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1csnn1	814857923	CCYVLMPAFNFWCU-UHFFFAOYSA-N	307.291	1.306	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2CC(=O)N(C)C2)cc1C	819037418	QTGXNMDZPXQKOL-NSHDSACASA-N	320.418	1.099	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1CCCc2occc21	814763182	VJODQZCFCPXLEP-LBPRGKRZSA-N	305.378	1.405	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1ccccc1[N+](=O)[O-]	814951976	FQDIRZLWMHORDY-UHFFFAOYSA-N	315.285	1.830	50	20	DDGD	
C=CCC(F)(F)C(=O)NNC(=O)COc1ccccc1O	815509625	QEWBZELVNABDHH-UHFFFAOYSA-N	300.261	1.130	50	20	DDGD	
Cn1nncc1NNC(=O)Cc1ccccc1Br	816772231	ROBBYOYNNFWWFY-UHFFFAOYSA-N	310.155	1.263	50	20	DDGD	
C[C@@H]1CCCC[C@H]1C(=O)NNC(=O)COc1ccc(C#N)cc1	819004225	LGDOTMHJUQLLKK-IUODEOHRSA-N	315.373	1.911	50	20	DDGD	
C[C@H]1C(=NNC(=O)CN2CCCC2=O)CC[C@@H](C(=O)O)C1(C)C	814761278	SQGWJAJSBLJQDQ-QWRGUYRKSA-N	323.393	1.238	50	20	DDGD	
O=C(NNc1ncncc1F)c1noc(-c2cccc(F)c2)n1	817083161	ZKNTYEMPHCNDEQ-UHFFFAOYSA-N	318.243	1.562	50	20	DDGD	
COCC(=O)NN=C1COc2cc(Br)c(F)cc21	814871015	GSHICHXKEDWHOM-UHFFFAOYSA-N	317.114	1.447	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)c1cc(-c2nn[nH]n2)c[nH]1	826447679	REXVNSNAGRSCLK-UHFFFAOYSA-N	320.316	1.500	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)C(C)(C)Cc1nc2ccccc2[nH]1	823928481	NPOIMDALFYXGGP-LLVKDONJSA-N	304.394	1.475	50	20	DDGD	
CCc1c(C(=O)NNc2nc(-c3ccncc3)no2)cnn1C	728071300	ZWJOOBYKESZPIQ-UHFFFAOYSA-N	313.321	1.184	50	20	DDGD	
Cc1cc(NNC(=O)CC[C@@H]2CC2(Cl)Cl)nc(N)n1	828377047	ZTFYPUCAOQNLQP-SSDOTTSWSA-N	304.181	1.784	50	20	DDGD	
COc1nc(C)cc(C)c1CNC(=O)NNC(=O)C(C)(C)C	727482890	ZFKJEJACFGLLSS-UHFFFAOYSA-N	308.382	1.584	50	20	DDGD	
CCC(=O)N1CCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)C1	491101592	FMFIIJPDIPICNT-UKTHLTGXSA-N	301.321	1.771	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)n1	725857363	JCEGWEVWYHMVNU-UHFFFAOYSA-N	320.330	1.758	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CCCCN1C(=O)c1ccccc1	729299470	HPZSVBZAKRZFLG-AWEZNQCLSA-N	317.389	1.485	50	20	DDGD	
CO[C@@H](C)CNC(=O)NNc1cccc(Br)n1	821450654	WMFYQGOBWHWYFC-ZETCQYMHSA-N	303.160	1.505	50	20	DDGD	
CC(C)CCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	824243531	IQVYTIUWBVEBLC-UHFFFAOYSA-N	309.761	1.794	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2cccc(C(F)(F)F)n2)n1	825997584	HTOYPKCOJOTCPG-UHFFFAOYSA-N	314.271	1.777	50	20	DDGD	
COC(=O)NCCC(=O)NNc1ccnc(Br)c1	495468247	QUHYQOLGGJHDOP-UHFFFAOYSA-N	317.143	1.033	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C[C@@H](C)OC)cc1F	822645105	PMFACUXHIKTTBS-MRVPVSSYSA-N	315.370	1.577	50	20	DDGD	
C=CCN1C(=O)C(=NNC(=O)c2cccn2C)c2ccccc21	725845781	MCGMPAXHKPTFLO-UHFFFAOYSA-N	308.341	1.692	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@H]1CC12CCCC2	494640894	MPMGUQZVZZHAJY-JTQLQIEISA-N	311.382	1.239	50	20	DDGD	
CCCNC(=O)/C(C#N)=C\c1cccc(OCCC(=O)O)c1	490610007	FJTVWOMPCIOOSL-LCYFTJDESA-N	302.330	1.973	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)C(C)(C)CN1CCOCC1	822037191	DMEMPJXKRXKOFH-UHFFFAOYSA-N	309.385	1.936	50	20	DDGD	
CCC[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)c1cccs1	584934988	VVURIAWGZQTGNM-ZDUSSCGKSA-N	321.182	1.838	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC1(Cl)Cl	826446218	DJTGCXKYBICFJZ-QMMMGPOBSA-N	313.148	1.504	50	20	DDGD	
CCn1cnnc1-c1ccccc1NC(=O)NNC(=O)OC	492881717	FTTFQHSLGJYAIL-UHFFFAOYSA-N	304.310	1.358	50	20	DDGD	
CC[C@H](C)[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)C(F)(F)F	584981587	FBOASGYLCCBASS-WRWORJQWSA-N	321.079	1.212	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@H](N(C)C)[C@H]1C	820503573	KKPKNUKUODIXIH-YPMHNXCESA-N	312.845	1.903	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)cc1C	905103826	KALGUXOJUBWWCC-DAXOMENPSA-N	316.357	1.055	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CC2C[C@H]3CC1C[C@@H](C2)C3	584938932	JQSNCHRKWQYLFS-KCXRBIIJSA-N	317.169	1.156	50	20	DDGD	
Cc1nnc(CCNC(=O)/C(C#N)=C/c2ccc(O)cc2)s1	491015227	ZXPGRSCFRABELL-XYOKQWHBSA-N	314.370	1.818	50	20	DDGD	
CC(C)OCCCNC(=O)/C(C#N)=C\c1c[nH]c(C(=O)O)c1	827027500	MWQAZAVAMSGQBF-SDQBBNPISA-N	305.334	1.551	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])[nH]1	731494216	UHMSGSNLHPCAMH-UHFFFAOYSA-N	304.262	1.006	50	20	DDGD	
CCn1nncc1C=NNC(=O)CCCNC(=O)OC(C)(C)C	496402588	XVFKZPATNVUVPD-UHFFFAOYSA-N	324.385	1.053	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cccc(N2CCOC2=O)c1C	495063331	CFGNYZMEGQXEIY-UHFFFAOYSA-N	306.322	1.514	50	20	DDGD	
CC(C)COc1ccc([C@@H](C)NCc2ccc(B(O)O)o2)cc1	585031638	WOSNZKZTVIHKNY-CYBMUJFWSA-N	317.194	1.845	50	20	DDGD	
C[C@@]1(C(=O)NCCCNC(=O)C2CCC2)C[C@@H]1Br	906907848	SBEIQGLEFYOTAI-GXFFZTMASA-N	317.227	1.583	50	20	DDGD	
CC[C@@H](C)n1ncc(C(=O)Nc2cccc(B(O)O)c2)c1C	584914126	PWFBFCQMAHECEM-SNVBAGLBSA-N	301.155	1.095	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC2(CC1)CC(=NNC(=O)CO)C2	901211069	VVMZYWAOYIVHGS-UHFFFAOYSA-N	311.382	1.262	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=C(C)c1cc[nH]n1	496568002	UDPRBFPVDDJRJX-GFCCVEGCSA-N	319.365	1.167	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@H]1CCOC2(CCC2)C1	907967350	MEISWBBTUYUDHR-QMMMGPOBSA-N	309.288	1.228	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cnn(C)c1)[C@@H]1CCC[C@@H](C)C1	836671591	YGYWMIGMFNUBEE-GRYCIOLGSA-N	307.398	1.579	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)NCc1cccs1	730822596	XODRXZSYPXAJSY-UHFFFAOYSA-N	321.358	1.363	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cccc(C(=O)N(C)C)c2)n[nH]1	901163994	NHIPJIYMFVQSNE-UHFFFAOYSA-N	313.361	1.113	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCCOC(C)(C)C2)cc1	735311370	HDWAMTYIIISIEX-UHFFFAOYSA-N	319.405	1.257	50	20	DDGD	
CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)c1cccc2ncccc12	900613109	IHJVRHBEDUNHSG-QMTHXVAHSA-N	301.346	1.403	50	20	DDGD	
CC[C@H](O)[C@H](C)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	908054068	TXUMOKCQGLVGFP-GWCFXTLKSA-N	308.382	1.312	50	20	DDGD	
CCOc1ccc(C(=O)NN=C2CCn3ccnc32)cc1OC	834929851	XEVZWWZYLKZXPP-UHFFFAOYSA-N	314.345	1.828	50	20	DDGD	
Cc1noc(C2CN(C(=O)[C@]3(C)C[C@@H]3Br)C2)n1	907760772	WUNKJYJUCYSNNB-GZMMTYOYSA-N	300.156	1.477	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)[C@@H](C)Oc1ccccc1F	834930031	LCKJOLDPSQJADF-LLVKDONJSA-N	319.340	1.663	50	20	DDGD	
Cc1nc(C)c(C=NNC(=O)CNC(=O)c2cccs2)s1	736431131	VMNFQUOBNXMAFC-UHFFFAOYSA-N	322.415	1.702	50	20	DDGD	
OB(O)c1cccc(CNC[C@@H](c2ccccc2)C(F)(F)F)c1	585036236	GAHQUAOPGMDNEB-HNNXBMFYSA-N	323.123	1.802	50	20	DDGD	
CO[C@@H]1CC(=NNC(=O)Cc2cc(O)nc(S)n2)C12CCC2	834937297	LUYFBPBYPAVHAR-SNVBAGLBSA-N	322.390	1.075	50	20	DDGD	
COc1ccc(C[C@@H](C)NS(=O)(=O)CCl)cc1OC	830414868	MCXKCXBVZWBPBT-SECBINFHSA-N	307.799	1.751	50	20	DDGD	
Cc1occc1CNC(=O)NNc1ccc(-n2cccn2)nn1	919782129	IPQRCLLNRXLDGF-UHFFFAOYSA-N	313.321	1.390	50	20	DDGD	
CC[C@@H]1C[C@H]1CNC(=O)NNc1cccc(S(C)(=O)=O)c1	838664959	FPAMQXFLSBVESD-MNOVXSKESA-N	311.407	1.762	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@]1(Cl)C[C@H]2CC[C@H]1O2	913163221	GWEWZZYXCHYJOX-JKMUOGBPSA-N	322.661	1.734	50	20	DDGD	
CCn1ccnc1C(C)=NNC(=O)COc1ccc(F)cc1	834930435	SGLLNKWSKOUZDL-UHFFFAOYSA-N	304.325	1.961	50	20	DDGD	
NC(=O)c1cc(NC(=O)NNc2ccccn2)ccc1Cl	916384040	KAYRFEFEHYLDTA-UHFFFAOYSA-N	305.725	1.983	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H]2CCN(C3CC3)C2)cc1	838479328	YNSFHHQCVUZLHA-CYBMUJFWSA-N	304.394	1.948	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCOc1ccc(F)c(Cl)c1	910169950	IHEXIXPICJXUKA-VIFPVBQESA-N	304.749	1.592	50	20	DDGD	
CC1(C)C(=NNC(=O)CNC(=O)c2ccco2)[C@@H]2CCCO[C@@H]21	743438690	OSONIUJCGODBSF-HZMBPMFUSA-N	319.361	1.317	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)c2cccc(C#N)c2)cc1C1CC1	741921901	XMLSGUVCSJENJX-UHFFFAOYSA-N	309.329	1.244	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNC(=O)C(C)(C)c2ccccc2)c[nH]1	746239192	GOZJSLMHWIBQMV-UHFFFAOYSA-N	313.357	1.422	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccn(CCN(C)C)n1	847956930	HJUTYXBXKKCRRZ-UHFFFAOYSA-N	317.397	1.115	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc(-n2ccnc2S)cc1	745139879	XAQWMEHQFNOHOF-UHFFFAOYSA-N	319.390	1.513	50	20	DDGD	
COc1ccc(OC(C)C)c(NC(=O)NNC(=O)CCCN)c1	841111258	XOVKBAWIAZVCKC-UHFFFAOYSA-N	324.381	1.374	50	20	DDGD	
O=C(NNC(=O)[C@H]1Cc2cc(F)ccc2O1)c1ccccc1F	740634960	PTUICHOOBZWFIG-CQSZACIVSA-N	318.279	1.730	50	20	DDGD	
Cc1ccccc1C=NNC(=O)Cn1nnc(-c2ccccc2)n1	915907474	QGUAHMGDTASVOX-UHFFFAOYSA-N	320.356	1.799	50	20	DDGD	
CCOC1CC(C(=O)NNc2ncc(Br)cn2)C1	848322817	OZFLOZWMPOUPFI-UHFFFAOYSA-N	315.171	1.497	50	20	DDGD	
CC[C@@H](C#N)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	846019814	XVBJIDJGDVKDLX-ZJUUUORDSA-N	309.753	1.804	50	20	DDGD	
C[C@@H](C(=O)NNc1c(F)cccc1F)[C@@H](C)S(C)(=O)=O	841409575	SSZGEXFUKLZCSC-HTQZYQBOSA-N	306.334	1.477	50	20	DDGD	
Cn1nc(C2CC2)nc1CC(=O)NNc1cccnc1Cl	843906817	NCIXMLPIBUABPE-UHFFFAOYSA-N	306.757	1.427	50	20	DDGD	
COCC1(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)CC1	843869978	JVSJVNNXLWHUPD-UHFFFAOYSA-N	306.366	1.650	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCC1Cc2ccccc2C1	747501173	XRGARKXBQTYKNS-UHFFFAOYSA-N	324.384	1.370	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1cc(C(=O)O)c(C)nc1C	842561630	LNRGXCWTDCCEIZ-NWDGAFQWSA-N	319.361	1.662	50	20	DDGD	
O=C(CCOCc1ccccc1)NNC(=O)CC(F)(F)F	918703503	ALRZJWPTVNLAAH-UHFFFAOYSA-N	304.268	1.693	50	20	DDGD	
Cc1ccncc1C(=O)NNC(=O)Cc1nc2ccccc2n1C	742034590	QHANHABIYJMVQO-UHFFFAOYSA-N	323.356	1.280	50	20	DDGD	
C[C@H](CCCCN)NC(=O)NNC(=O)CCc1ccccc1	841994814	KNZDMFBZXPJQRD-CYBMUJFWSA-N	306.410	1.467	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)[C@@H]2CCO[C@H]2C)C[C@H]1C	842562428	PVOYBZBCIHLQDF-ZMJPVWNMSA-N	310.394	1.883	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1c(F)ccc(F)c1F	843653435	CAJULGFHVSSKQV-RNFRBKRXSA-N	302.252	1.290	50	20	DDGD	
CN(C)c1nccc(NNC(=O)Cc2c[nH]c3ccccc23)n1	740112783	PNOHNQGYCKOBPC-UHFFFAOYSA-N	310.361	1.710	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCc1nc(-c2ccsc2)no1	910178475	XGTDSMXGWAHMBB-VIFPVBQESA-N	310.379	1.075	50	20	DDGD	
O=C(NNC(=O)c1ncccn1)c1cccc([C@H]2CCOC2)c1	841350893	UUAKUOLBJIWROG-ZDUSSCGKSA-N	312.329	1.055	50	20	DDGD	
CCCOc1cccc(C=NNC(=O)[C@@H](C)OCCOC)c1	748256745	CIVSMMJLSZRPPL-CYBMUJFWSA-N	308.378	1.977	50	20	DDGD	
Cn1ncc2cc(C(=O)NNc3ncccc3Cl)cnc21	747518496	MZOZZRQCWZHJPO-UHFFFAOYSA-N	302.725	1.774	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CCc2cncs2)cc1	846375668	HQWZOFXSRJXFNE-UHFFFAOYSA-N	319.386	1.935	50	20	DDGD	
CNCCNC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	841937610	ZXJQVWTWWBVLAI-UHFFFAOYSA-N	308.426	1.143	50	20	DDGD	
O=C(NCC[C@H](O)c1ccccc1)NNC(=O)c1ccccc1	743522339	ZXNLYJPKDFTFDS-HNNXBMFYSA-N	313.357	1.754	50	20	DDGD	
CC(C)c1ccc(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1	920381247	PIFIHMDAQCFUQD-AWEZNQCLSA-N	323.418	1.630	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1ccc([N+](=O)[O-])cc1F	758337057	VMDFHIBMGLWRDA-UHFFFAOYSA-N	307.241	1.529	50	20	DDGD	
O=C(N1[C@H]2CC[C@H]1CNC2)[C@@]12CC[C@@H](C[C@H]1Br)C2	852928571	ZUZJQPUALZWQCP-ZXPJVPCYSA-N	313.239	1.903	50	20	DDGD	
Cn1nncc1C=NNC(=O)CC12CC3CC(CC(C3)C1)C2	751129957	QJFQIHGNGOFFBD-UHFFFAOYSA-N	301.394	1.872	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(OC)cc2)nc1	759740626	ZAMUPBOQAYRBEA-UHFFFAOYSA-N	301.302	1.634	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@H](CO)c1ccc(F)cc1F	852085579	DTSVYKCZETXVRS-LLVKDONJSA-N	315.320	1.375	50	20	DDGD	
Cc1nc(COc2cccc(C(=O)NNC(=O)C(C)C)c2)no1	758087978	BLAXCNAQYVBTBV-UHFFFAOYSA-N	318.333	1.374	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1CCCC(=NNC(=O)c2cc[nH]n2)C1	853391874	YTIPTLJTZHXFEL-JTQLQIEISA-N	321.381	1.963	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cccn1Cc1ccncc1	751367835	FYWVTYBQVGUUMB-UHFFFAOYSA-N	301.350	1.285	50	20	DDGD	
Cc1ccc(C=NNC(=O)C(=O)Nc2ccccn2)cc1F	758382736	ZCOAATXMFAKHSW-UHFFFAOYSA-N	300.293	1.618	50	20	DDGD	
COCC(=NNC(=O)c1nn(-c2ccccc2)cc1O)C1CC1	754256476	CQJUCHBFAAWNKG-UHFFFAOYSA-N	314.345	1.720	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CCc2ccon2)cc1	855016860	DTJAKWTVDJEZNN-UHFFFAOYSA-N	303.318	1.466	50	20	DDGD	
CC(=O)N[C@@H]1CCN(C(=O)NC[C@@]2(C)C[C@H]2Br)C1	856893484	NVGWGYAHEMHKPM-CKYFFXLPSA-N	318.215	1.080	50	20	DDGD	
C[C@]1(CNC(=O)CCCNC(=O)C2CC2)C[C@@H]1Br	857399238	QTORWCOFMRAEQQ-GXFFZTMASA-N	317.227	1.583	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCCN1CCOC1=O	754548146	CIIJMMYOEXDPKH-FMIVXFBMSA-N	302.286	1.295	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N(C)CC2CCN(C)CC2)c1	858705185	BFQRYWPPHMFTRN-UHFFFAOYSA-N	324.450	1.685	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H]2CC[C@@H](C)O2)c1C	854127010	KVVXNYDRQYDSGB-ZYHUDNBSSA-N	321.377	1.975	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNc1cccc(C(=O)OC)c1C	855627237	IHJSZTGPHWEXLN-UHFFFAOYSA-N	323.349	1.359	50	20	DDGD	
CC(C)COc1ccc(C=NNC(=O)CS(C)(=O)=O)cc1	863189277	GVNPMFZKUQHYCK-UHFFFAOYSA-N	312.391	1.216	50	20	DDGD	
CON(C)C(=O)[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(F)cc1	863703558	KNGFBEXFWSWINP-ZDIKFAODSA-N	305.309	1.257	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)Cc1cc(=O)n(CC(C)C)[nH]1	935023744	YSMQEDLOCXPBMV-UHFFFAOYSA-N	320.368	1.966	50	20	DDGD	
CS[C@@H](CO)[C@H](C)NS(=O)(=O)CC(C)(C)CCl	867018588	UHGVFKYSMDKLDL-IUCAKERBSA-N	303.877	1.283	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2[nH]c3ccccc3c2Cl)n[nH]1	768277495	TYKBFHFZLLHJRO-UHFFFAOYSA-N	317.736	1.928	50	20	DDGD	
CCCOc1ccc(OCC(=O)NNC(=O)c2cn[nH]c2)cc1	862474358	PQNPGLGOUJYPJA-UHFFFAOYSA-N	318.333	1.039	50	20	DDGD	
O=C(NNc1cccc(F)c1Cl)[C@H]1CCCCS1(=O)=O	862507040	SGBJCAKZPGJECY-SNVBAGLBSA-N	320.773	1.890	50	20	DDGD	
COC(=O)CCCCCCNS(=O)(=O)CBr	769933442	AUPDCRAZHIVWRU-UHFFFAOYSA-N	316.217	1.382	50	20	DDGD	
O=C(NNC(=O)C1CC1)C(=O)Nc1cccc2ccsc12	763562934	VBZVMCWATDUYKO-UHFFFAOYSA-N	303.343	1.397	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C=NNC(=O)c2cn[nH]c2)c1C	863155934	FDPDWAZZRZISLF-UHFFFAOYSA-N	303.322	1.295	50	20	DDGD	
Cc1c(C(=O)NN[C@@H](C)C(F)(F)F)cnn1C1CCOCC1	862315952	HVUKBZABENIMKV-VIFPVBQESA-N	320.315	1.728	50	20	DDGD	
COc1cccc(CC(=NNC(=O)[C@H]2CCC(=O)N2)C2CC2)c1	863148130	UHDJUMHUTNWMAD-CQSZACIVSA-N	315.373	1.399	50	20	DDGD	
COc1cc(C(=O)NN[C@@H](C)C(F)(F)F)cc(OC)c1O	862314771	JBFGJHQAVUPTTH-LURJTMIESA-N	308.256	1.595	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N	763517352	HVEBTSKZOSDEKP-SECBINFHSA-N	320.374	1.044	50	20	DDGD	
C[C@H](CNS(=O)(=O)CC(C)(C)CCl)Cn1cccn1	866511422	CSIDSZILXDLHMH-LLVKDONJSA-N	307.847	1.704	50	20	DDGD	
CCc1[nH]c(C(=O)NNc2ccn(C)n2)c(C)c1C(=O)OC	1116837439	SCLMUZZDALTFJL-UHFFFAOYSA-N	305.338	1.163	50	20	DDGD	
C[C@H](C(=O)NNc1ccn(C)n1)n1ccc(C(F)(F)F)n1	1119263497	LDHNWYWBPUXBLJ-SSDOTTSWSA-N	302.260	1.340	50	20	DDGD	
CCN1CCC(=NNC(=O)CCN2CCC(C)CC2)[C@@H](C)C1	1116124018	HMVFVTJFGBMPLT-HNNXBMFYSA-N	308.470	1.942	50	20	DDGD	
CCOc1cccc(F)c1C=NNC(=O)C(=O)NC(CC)CC	872354439	SXQWCGLYUNTHKF-UHFFFAOYSA-N	323.368	1.979	50	20	DDGD	
CC[C@H](Cc1cccc(C)c1)C(=O)NNC(=O)N1CCOCC1	874248453	UYBHSVRHSMUEDY-OAHLLOKOSA-N	319.405	1.637	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)N[C@H]2CC23CCC3)c1	873257907	YTZZCKCXCLFDTK-ZDUSSCGKSA-N	319.361	1.590	50	20	DDGD	
CSCCNC(=S)NNC(=O)CCCC(F)(F)F	770923127	UDXBJQXPJFXOLS-UHFFFAOYSA-N	303.375	1.577	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C(C)(C)C(N)=O)cc1C	873762786	CBMURXTYMMFRSZ-UHFFFAOYSA-N	308.407	1.133	50	20	DDGD	
CCC(CC)n1nccc1C(=O)NNC(=O)c1ccccn1	770746242	KMGJSOIEAONGJL-UHFFFAOYSA-N	301.350	1.714	50	20	DDGD	
CCOC(=O)[C@@H](NC[C@@H](C)CBr)C1CCOCC1	770669370	VANQIZAUEPSHRW-JQWIXIFHSA-N	322.243	1.965	50	20	DDGD	
COc1ccc(CC(=O)NNc2nncc(N)c2Cl)cc1	1116292472	JDXULHSPSZCKHX-UHFFFAOYSA-N	307.741	1.407	50	20	DDGD	
Cn1ccc(C=NNC(=O)C(=O)NCc2ccc(Cl)cc2)c1	771569155	XEBIFPHJNUWBPX-UHFFFAOYSA-N	318.764	1.445	50	20	DDGD	
CCn1c(CCNC(=O)NN(C)C(=O)OC)nc2ccccc21	875176891	SROHMEPCUSWMBW-UHFFFAOYSA-N	319.365	1.511	50	20	DDGD	
C=CCSc1ccccc1C(=O)NNC(=O)Cc1cc[nH]n1	777137408	KJBOKVLUGKHQQV-UHFFFAOYSA-N	316.386	1.692	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](C)OCc1ccc(F)cc1	887149450	WYQDPNZNXCEUSA-LBPRGKRZSA-N	306.337	1.682	50	20	DDGD	
Cn1ccnc1[C@@H]1CCCN(S(=O)(=O)CCCCl)C1	882132392	CERTUDRDPXORBD-LLVKDONJSA-N	305.831	1.558	50	20	DDGD	
C#CCOc1cccc(Cl)c1C=NNC(=O)NCC(=O)OC	777446374	KLQQHGCIJNCBSL-UHFFFAOYSA-N	323.736	1.158	50	20	DDGD	
Cc1ccc([C@H](C)CNC(=O)NNC(=O)c2cccnn2)cc1	883438636	XVJBDHBAFKENSV-GFCCVEGCSA-N	313.361	1.533	50	20	DDGD	
COCC[C@@H](N)Cc1cn(/C(Cl)=C\CBr)nn1	881311025	WPIHVTHFXJCBDS-MZYLPBTOSA-N	323.622	1.617	50	20	DDGD	
CN(CC(=O)NNc1c(F)cc(F)cc1F)C(=O)C1CC1	885151108	VOONHPGUNCBADY-UHFFFAOYSA-N	301.268	1.415	50	20	DDGD	
CC[C@@H]1C[C@@H](CC(=O)NNC(=S)NC(C)(C)C)CCO1	781674318	JZWOXEIVIDTVFK-WDEREUQCSA-N	301.456	1.876	50	20	DDGD	
CN(C[C@]1(O)CCc2ccccc21)S(=O)(=O)CCCCl	882302632	IRLWJGGHUKCEGK-CQSZACIVSA-N	317.838	1.711	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C1(SC)CCC1	782792615	JYYZKQQVTDGSLC-UHFFFAOYSA-N	308.403	1.671	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNC(=O)C2CCOCC2)cc1	883066595	CJMMDLLSZKVKNF-GFCCVEGCSA-N	320.389	1.448	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)NNc1ccc(Cl)cc1F	885110133	QBVAEOQXMGTQQL-UHFFFAOYSA-N	322.789	1.993	50	20	DDGD	
COC[C@@H](OC)C(=O)NNc1cc(Br)ccc1F	885148564	CEUNUNOPKXSXHD-SNVBAGLBSA-N	321.146	1.693	50	20	DDGD	
CC(=NNC(=O)C(=O)NC(C)C)c1ccc(C#N)cc1Cl	788423398	ZQGAMCVQASPEEG-UHFFFAOYSA-N	306.753	1.576	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2cc(F)c(F)c(F)c2)on1	781429890	UZEGXOOEHXXAQQ-UHFFFAOYSA-N	315.207	1.635	50	20	DDGD	
Cc1cc2c(SCC(=O)NNC(=O)C3CC3)ncnc2s1	783417700	DRIIJTKJBIGJHL-UHFFFAOYSA-N	322.415	1.649	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCN2CC[C@H](C)C2)c1	897445450	HYIZRBRVOHAHAV-LBPRGKRZSA-N	320.393	1.441	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1ccc(-n2cccn2)nc1	781804526	JMDCVWSGITVZLW-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
NC(=O)c1cc(NC(=O)NNc2ncncc2Cl)ccc1F	782012265	JZAHKNUXGFYWSJ-UHFFFAOYSA-N	324.703	1.517	50	20	DDGD	
CCc1cncc(C(=O)NNc2nc(-c3ccncc3)no2)c1	789925080	IAGUOSAQPHNLIH-UHFFFAOYSA-N	310.317	1.846	50	20	DDGD	
Nc1nc(Cl)c(C=NNC(=O)C(F)F)c(N2CCCC2)n1	782234350	DHCKSECAVWWOPX-UHFFFAOYSA-N	318.715	1.028	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1cnn(CC2CC2)c1	792378753	WJFSJMIRRTYDBJ-UHFFFAOYSA-N	314.349	1.078	50	20	DDGD	
CO[C@]1(C(=O)NNC(=O)COc2cccc(C)c2)CCSC1	895411192	LVOBOCOTSOFKEN-OAHLLOKOSA-N	324.402	1.043	50	20	DDGD	
COc1cccc(C=NNC(=O)c2cc(Br)c[nH]2)n1	790155416	JKQMDNLUFJJYQJ-UHFFFAOYSA-N	323.150	1.945	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)Cc2cccnc2)[C@H](n2cncn2)C1	794508776	RWTBJHOEASBHIQ-SWLSCSKDSA-N	312.377	1.749	50	20	DDGD	
COc1ccc(NCC(=O)NN=C(C)c2ccc(O)nn2)cc1	790144449	QWWXLLZHAZWEEB-UHFFFAOYSA-N	315.333	1.143	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNc2ncccc2C)cn1C	792330523	OBZLJUJJWGMGAZ-UHFFFAOYSA-N	303.322	1.664	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)CCc2cncn2C)o1	793273159	DEGUUNRTTNVEQQ-UHFFFAOYSA-N	302.338	1.479	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc2oc(C)nc12	795692397	HVWIWSMEIMHJPN-MRVPVSSYSA-N	319.317	1.239	50	20	DDGD	
CC(=NNC(=O)c1cccc(C)n1)c1cccc(-n2cnnn2)c1	794572093	QMDDHJVIWJUBDY-UHFFFAOYSA-N	321.344	1.520	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)[C@H]1C[C@H]1C1CC1	795177194	JXFAOMNMJOXMSS-RYUDHWBXSA-N	323.418	1.426	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1c[nH]c2cccnc12	792799221	XWHVSMLHESPVSW-UHFFFAOYSA-N	324.340	1.575	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1ccc(-c2cnn(C)c2)cc1	1328379177	OXDQCXBAGRBOSA-WBMJQRKESA-N	312.373	1.962	50	20	DDGD	
Cc1n[nH]c(C)c1C[C@H](C)C(=O)NNc1ncc(Cl)cn1	1328711626	FSPAMSMDQOUXEM-ZETCQYMHSA-N	308.773	1.792	50	20	DDGD	
CSc1c(F)cc(NC(=O)NNC(=O)CCO)cc1F	1323987081	YIKBXPCEPRWPRW-UHFFFAOYSA-N	305.306	1.222	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H](C)n1ccnc1)c1ccccc1	1322711200	MVXCVWXFZXFJOF-TZMCWYRMSA-N	300.362	1.785	50	20	DDGD	
CO[C@]1(C)C[C@H](N[C@H](C)C(=O)NNC(=O)CC(C)C)C1(C)C	1327999374	FWAXPPOTGQAOBY-BFQNTYOBSA-N	313.442	1.362	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cnn(C)c2)c(C)n1CC1CC1	1328653311	KGOUZQAPJFCBAS-UHFFFAOYSA-N	315.377	1.323	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@@]2(C)CCOC2)cc1	1322806063	KEBYJRMONISNKA-OAHLLOKOSA-N	307.350	1.066	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H](C)N2[C@@H](C)CC[C@H]2C)cc1	1325467191	IYWFVGYCMXDGTI-XQQFMLRXSA-N	319.405	1.718	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccnc(OC2CCC2)c1	1324744813	BITRYPCMGPTVEY-CYBMUJFWSA-N	319.361	1.343	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CCc1cccc2c1OCO2	1325676634	RHRJROVDFRXUHK-UHFFFAOYSA-N	309.391	1.252	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)c2cccnn2)C[C@H]1C	1331344543	GZGCTXXPVCFOBD-PWSUYJOCSA-N	304.350	1.562	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@]1(C)CC(C)=NO1	1338995720	JNSUEIHIQMNAJF-CQSZACIVSA-N	309.297	1.610	50	20	DDGD	
O=C(CCO)NN=C1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]12	1330721759	QWVBUPGLXBGNCB-RDJZCZTQSA-N	315.417	1.916	50	20	DDGD	
COc1ccc([C@H](NC(C)C)C(=O)NNc2ccn(C)n2)cc1	1333775208	QCGAMDINOHQASV-HNNXBMFYSA-N	317.393	1.611	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccc(C#N)c(C)n2)c1	1342029219	OJOSXPTZMLSIMZ-UHFFFAOYSA-N	310.313	1.805	50	20	DDGD	
COC1(OC)CC(CNC(=O)NNc2cccc(Cl)n2)C1	1343234972	YMIGHUPGRNTGHG-UHFFFAOYSA-N	314.773	1.760	50	20	DDGD	
O=C(NNc1ncccn1)N[C@H]1COc2c(F)cc(F)cc2C1	1348034766	NBIDPAYWPLTDTC-SNVBAGLBSA-N	321.287	1.385	50	20	DDGD	
C[C@@H](NC(=O)C1CCC(Cl)CC1)[C@H]1CN(C)CCN1C	1519587348	OWSVNQHKHZKVBF-BLYZHGLHSA-N	301.862	1.535	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2ccc(-n3ccnc3)nn2)c1	1602450389	VMWZCNISCWUYMT-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
COc1cc(CNC(=O)NNc2ncccn2)ccc1C(=O)O	1607161739	MLASXRFTERGSMC-UHFFFAOYSA-N	317.305	1.010	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)[C@@H]1CCn2ccnc2C1	1602472278	XLSKKIAJJSJORT-SNVBAGLBSA-N	300.318	1.287	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)[C@H]1CCCc2n[nH]cc21	1608948419	ZBJZAFSCKWXQTB-VIFPVBQESA-N	300.318	1.671	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@]1(C(=O)O)C[C@H]1C	1603099419	HJDRGSGTAFUBLW-UHLUBPPHSA-N	312.757	1.807	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)Cn1cc(C(=O)O)cn1	1605827542	YBPONUOTRDDEKB-UHFFFAOYSA-N	302.334	1.595	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)C(=O)O)c(Br)c1	1610319791	ZYEFEGWFCSUUHB-UHFFFAOYSA-N	315.123	1.383	50	20	DDGD	
CO[C@H](C)C(C)=NNC(=O)[C@H]1CCCO[C@H]1c1nccn1C	1549309778	KBDKPKXXCNLNNF-FRRDWIJNSA-N	308.382	1.415	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1cc(C)ccc1F	1549320179	KVYCQCNGLSRGHI-BBRMVZONSA-N	319.380	1.838	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1ccc(Sc2ccccn2)o1	1610784255	YNDVEUHRLHAPEP-UHFFFAOYSA-N	320.330	1.544	50	20	DDGD	
O=C(CCc1ccccc1C(=O)O)NNC(=O)CC(F)(F)F	1610659705	OTARGVHQRAOMNL-UHFFFAOYSA-N	318.251	1.417	50	20	DDGD	
CN(N)C(=O)c1c(F)c(F)c(Br)c(F)c1F	1573882902	STSIFUJYIXUNKZ-UHFFFAOYSA-N	301.037	1.951	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1C[C@H](N)C1(C)C)c1ccccc1	1576939923	ZYPLPJGIMJTMFH-IHRRRGAJSA-N	303.406	1.701	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)CCCCCN)nc1C	1578183442	RFQYRHRWTIGZRA-UHFFFAOYSA-N	323.397	1.461	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NNc1cccc(C(=O)O)c1F	1589814354	GFIRVMASCMEYMP-LLVKDONJSA-N	309.341	1.840	50	20	DDGD	
O=C(NNc1ccc(Br)nc1)[C@H]1[C@H]2CCNC[C@H]21	1580737012	GVKOAQWSEJMILA-NGZCFLSTSA-N	311.183	1.143	50	20	DDGD	
CC#CCCCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	1588744172	SYMFSQFQFVCICF-UHFFFAOYSA-N	319.756	1.552	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)/C(C)=C/OC)C1	1844181116	ZZYLAPQFNGZTRE-OBIHZWKSSA-N	314.813	1.757	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1CC1	1847747943	XSZAGBLAZAMBHK-RDBSUJKOSA-N	308.809	1.619	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C1CCC1)c1ncc(C(=O)O)s1	1593102892	ZDKOSVDSETWAOB-LURJTMIESA-N	312.351	1.033	50	20	DDGD	
Cc1cc(NNC(=O)c2cccc(-c3nn[nH]n3)c2C)nc(C)n1	1592054136	QYZCJKVUFWCXOA-UHFFFAOYSA-N	324.348	1.339	50	20	DDGD	
CCn1ccc(NC(=O)NNc2ccc(-c3nn[nH]n3)cc2)n1	1590959979	YFEJKTPLPOGQSW-UHFFFAOYSA-N	313.325	1.232	50	20	DDGD	
N#Cc1ccc(C(=O)O)c(C=NNC(=O)Cc2cccnc2)c1	1776043184	SYNMCVOQTQCZAI-UHFFFAOYSA-N	308.297	1.344	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1ccccc1OCCC(=O)O	1776115669	HZERDPHMFRPZNO-JLHYYAGUSA-N	319.313	1.637	50	20	DDGD	
O=C(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Cl)C2)C1CC1	1793021634	SZZPMXRIFMXBIJ-DTHBNOIPSA-N	316.760	1.138	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12	15941397	NXBSGWXZRFDRIK-UHFFFAOYSA-N	302.334	1.120	50	20	DDGD	
Cn1nc(C(=O)NNc2ccccc2Br)ccc1=O	153492616	LTARMZQRLBCZRQ-UHFFFAOYSA-N	323.150	1.300	50	20	DDGD	
Cc1ccc(F)cc1S(=O)(=O)NNC(=O)OC(C)(C)C	154822947	LGTKFCAMWZHIHV-UHFFFAOYSA-N	304.343	1.852	50	20	DDGD	
C=C(C)CNC(=S)NNC(=O)COc1ccccc1OC	7556100	YWMSPNFIXWGYLM-UHFFFAOYSA-N	309.391	1.145	50	20	DDGD	
Cc1cc(C)cc(OCCC(=O)NNC(=O)c2cnn(C)c2)c1	117682579	PBFIYKVOGASGMJ-UHFFFAOYSA-N	316.361	1.267	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)C(=O)Nc1ccccn1)c1ccccc1	177137728	GPRUSRAUJLREOM-VAWYXSNFSA-N	324.340	1.271	50	20	DDGD	
O=C(CSc1nccn1C1CC1)NNC(=O)c1cccs1	21830906	FRTXNWKNMIILSU-UHFFFAOYSA-N	322.415	1.833	50	20	DDGD	
O=C(Cc1cccc2cccnc12)NNC(=O)NCc1ccco1	65176467	DXAUSRGVHWMIKT-UHFFFAOYSA-N	324.340	1.901	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)Cc1ccccc1O	111235759	ITJYFDSQVJUSQZ-GFCCVEGCSA-N	307.394	1.406	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N2CCc3ccccc3C2)cc1	60995943	YGJWGOOTTIFWNZ-UHFFFAOYSA-N	320.352	1.971	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(Br)cc1O	179485878	SORAJEKQBFZJST-UHFFFAOYSA-N	302.128	1.071	50	20	DDGD	
Cc1cc(C)cc(NC(=O)C(=O)NNC(=O)c2ccc(C)o2)c1	129649608	YLTDDYFMFMUONY-UHFFFAOYSA-N	315.329	1.605	50	20	DDGD	
CC1(C)C[C@@](C)(NC(=O)NNc2ccc(Cl)nc2)C(=O)O1	1349790411	XIQOYHNJSMQOOP-CYBMUJFWSA-N	312.757	1.845	50	20	DDGD	
COc1ccccc1CCC(=O)NNC(=O)NCc1ccco1	65177530	KKKMVODDZCKCRG-UHFFFAOYSA-N	317.345	1.751	50	20	DDGD	
Cc1nc(NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)oc1C	65772780	KUVQKPKWXOMOBT-UHFFFAOYSA-N	319.277	1.666	50	20	DDGD	
Cc1nc(CC(=O)NNC(=S)N[C@@H](C)C2CC2)c(C)s1	125036664	OXTOISSTYPNOQB-ZETCQYMHSA-N	312.464	1.596	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1cccnn1)N1C[C@H](C)O[C@@H](C)C1	77035659	RFYPVTINNSZQBH-OBJOEFQTSA-N	307.398	1.054	50	20	DDGD	
COc1cc(F)ccc1NC(=O)NNC(=O)c1cccn1C	183604016	RNARCJPVZLLJDK-UHFFFAOYSA-N	306.297	1.639	50	20	DDGD	
CCOC(=O)C[C@@H](C)CNC(=O)NNc1cc(Cl)ccn1	181639273	LQCVSHWKIUHDOR-SECBINFHSA-N	314.773	1.950	50	20	DDGD	
Cc1cc(F)c(S(=O)(=O)NNC(=O)C(C)(C)C)cc1F	121510531	KPPFKNALKBOCDB-UHFFFAOYSA-N	306.334	1.629	50	20	DDGD	
COc1cc(CNC(=O)NNc2cncc(Cl)n2)ccn1	122417728	QDWHEXCRQQJUIA-UHFFFAOYSA-N	308.729	1.360	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1ncn(-c2ccccc2)n1	133286640	YUQVUECPGCVIHZ-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2cncc(C)c2)n1	134510969	AFNZZYHPNYLXGM-UHFFFAOYSA-N	302.338	1.323	50	20	DDGD	
CS[C@H]1CCCCN(CC(=O)NNC(=O)c2ccccc2)C1	134575801	QQWRVDGHYIWOMM-AWEZNQCLSA-N	321.446	1.665	50	20	DDGD	
Cc1cccc(CCNC(=O)NNC(=O)Cc2ccncc2)c1	83202927	WOTAGUMGJRQOMX-UHFFFAOYSA-N	312.373	1.506	50	20	DDGD	
O=C(CCc1ccncn1)NNc1nc(-c2ccccc2)no1	191809772	SIROBDMLRFHWBU-UHFFFAOYSA-N	310.317	1.603	50	20	DDGD	
Cc1nc(Cl)ccc1C(=O)NNC(=O)c1ccccc1O	133394660	QEDKIFDNMVHGOB-UHFFFAOYSA-N	305.721	1.824	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1ccc(C)s1	49984109	UUUNUZBTZIQMTB-UHFFFAOYSA-N	320.370	1.905	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cccc(Cl)c1)c1nncn1C	194109605	WGPVIJOKSXWCOL-MRVPVSSYSA-N	322.756	1.174	50	20	DDGD	
O=C(NNc1ncccn1)[C@@H]1CCCN(CC(F)(F)F)C1	194124476	LRYZFYHKWOUYKF-SECBINFHSA-N	303.288	1.194	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNc2cnc3ccccc3n2)c1	193557651	KQUHHQHTEJTWDY-UHFFFAOYSA-N	307.313	1.486	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](C)[C@H](N)c2ccccc2)n1	237305471	SYFCFCFJPIKRAB-RISCZKNCSA-N	315.377	1.573	50	20	DDGD	
CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)C(C)(C)C)C1	246480134	AFNFVIGGIXGINO-BJFPOWJFSA-N	317.455	1.443	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)NNC(=O)Cc2cccnc2)C[C@H]1C	248566331	KVWLLULQXKZQLQ-BZPMIXESSA-N	304.394	1.779	50	20	DDGD	
CC(=O)Nc1cccc(CNC(=O)NNC(=O)C2CCC2)c1	264746967	QHPYRUCMSMMRDC-UHFFFAOYSA-N	304.350	1.276	50	20	DDGD	
NC(=O)Nc1cccc(C(=O)NNC(=O)NC2CCCCC2)c1	263665910	GAOCJUWGOZLSRE-UHFFFAOYSA-N	319.365	1.454	50	20	DDGD	
C=CCNC(=S)NNC(=O)COc1ccc(OC)c(C)c1	269060153	VJYXHYVYZNEFIL-UHFFFAOYSA-N	309.391	1.064	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2	269548710	DHUZCSFSROEUCZ-WKMLFNHBSA-N	301.302	1.788	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1C[C@]12CCOC2	363836284	OUXUKGOQUAZFTC-USBNGQNGSA-N	322.336	1.167	50	20	DDGD	
O=C(NNc1ccc(F)cc1)c1cc(Cn2cccn2)on1	366334994	TXIUYKYGHLDXGL-UHFFFAOYSA-N	301.281	1.815	50	20	DDGD	
CCOc1ccc(OC[C@H](O)CN2CC=C(C#N)CC2)cc1	272711072	XXKOADIBRBJEKA-OAHLLOKOSA-N	302.374	1.981	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1cc(F)cc(Cl)c1	270023397	BKMKKEIRGRXFDO-UHFFFAOYSA-N	308.762	1.835	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1nnc(-c2ccco2)s1	277199757	XREQYCHXMJFAOQ-UHFFFAOYSA-N	310.339	1.496	50	20	DDGD	
C=C(C)[C@H](CC(=O)NNC(=O)c1ccc(C#N)cc1)OCC	270029369	HFXUJMRFUNIIED-AWEZNQCLSA-N	301.346	1.691	50	20	DDGD	
COc1ccc(S(=O)(=O)N2CC=C(C#N)CC2)c([N+](=O)[O-])c1	272738896	IBIIUWRCLUYACR-UHFFFAOYSA-N	323.330	1.448	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1cccc(C)c1Cl	276127059	ICWJZGNOVVIZOO-UHFFFAOYSA-N	312.757	1.279	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NNC(=O)c1ccc[nH]1	274290189	GKVGQUINRVFANI-QMMMGPOBSA-N	302.172	1.585	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cc(-n2cnnn2)ccc1F	273427634	USTIUYOTXJJUHW-UHFFFAOYSA-N	321.316	1.000	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1C(=O)NNC(=O)Cn1nc(C)cc1C	280308123	QBXPUNNTMZCKNP-KBPBESRZSA-N	306.410	1.864	50	20	DDGD	
Cn1nncc1C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	281086382	UYKVJMRWHYJNMF-UHFFFAOYSA-N	317.393	1.183	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H]1CCN(c2ccccc2F)C1	289498503	LUQRPVMQEIBTJI-NSHDSACASA-N	307.369	1.846	50	20	DDGD	
CCCC[C@H](COC)NC(=O)NNC(=O)c1cccc(C)n1	280982487	UNQUHMVNAOANIO-GFCCVEGCSA-N	308.382	1.539	50	20	DDGD	
O=C(NCC1=CCCOC1)NNc1ccc2c(O)nccc2c1	288118480	YAJUJVARHNJBJI-UHFFFAOYSA-N	314.345	1.913	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)CCc1ccccc1C(N)=O	280586666	NJYVIVUOUFTVPY-UHFFFAOYSA-N	305.378	1.302	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@H]1CCO[C@@H]1c1nccn1C	287148571	YKQPBHMMGXSENZ-RYUDHWBXSA-N	316.365	1.280	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)O1	294185179	JXMWIQSFFDUFKK-YVNDNENWSA-N	324.327	1.783	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)Nc1ccc(OC(F)F)cc1	802043576	HLYKJPUADMLERT-UHFFFAOYSA-N	311.248	1.478	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2cnc(C3OCCO3)s2)c1	807118654	MODDRRMZXMHJOL-UHFFFAOYSA-N	316.342	1.817	50	20	DDGD	
COCCOc1cncc(C(=O)NNc2ccc(OC)cn2)c1	801215316	FLXDXAGDRAFUIF-UHFFFAOYSA-N	318.333	1.267	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Nc2cc3ccccn3n2)c1	806649075	USSOYHXNNQOVPQ-UHFFFAOYSA-N	320.312	1.672	50	20	DDGD	
COc1cc(CC(=O)NNC(=O)CC2CC2)cc(OC)c1OC	294298945	WVPCVMXQHJEBEB-UHFFFAOYSA-N	322.361	1.202	50	20	DDGD	
CCc1noc2ncc(C(=O)NNC(=O)[C@H]3CCCCO3)cc12	295568036	NIDJDSBEUCFZJN-GFCCVEGCSA-N	318.333	1.115	50	20	DDGD	
Cc1c[nH]cc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)c1=O	803430142	WWKQDAKDUQVXIY-UHFFFAOYSA-N	310.313	1.282	50	20	DDGD	
CC(C)C[C@@H](CN1CCCC1)NC(=O)NNc1cccnn1	297047317	XOUFTIDHZISSBD-ZDUSSCGKSA-N	306.414	1.613	50	20	DDGD	
CCO[C@H]1C[C@H](NC(=O)NNc2ncncc2F)C12CCCC2	292700735	OBTHTNJWNOTHLH-RYUDHWBXSA-N	323.372	1.980	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)C[S@@](=O)CC)cc1C	295280116	BHJOOTUAVIUBJE-NRFANRHFSA-N	312.391	1.383	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)CNC(=O)C(C)(C)C)c1	293950357	OSWVRVQZXXNWMN-UHFFFAOYSA-N	306.366	1.250	50	20	DDGD	
CCN(CC(=O)NNc1cccc(F)n1)C(=O)OC(C)(C)C	804772178	ADWHXCADMXQDTR-UHFFFAOYSA-N	312.345	1.921	50	20	DDGD	
CN1CCc2ccc(NC(=O)NNC(=O)[C@@H]3CCCO3)cc21	296643594	SDKDWZFYYBSJSV-ZDUSSCGKSA-N	304.350	1.011	50	20	DDGD	
CN1CCOc2ccc(C(=O)NN=c3cc[nH]cc3Cl)cc21	807045721	BQWQZNBBLFKWRK-UHFFFAOYSA-N	318.764	1.742	50	20	DDGD	
O=C(CN1CCC[C@H]2CCC[C@@H]21)NNC(=O)c1ccc(F)cc1	299357747	RCWPTSMXHVDCCL-DOMZBBRYSA-N	319.380	1.851	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)C[C@@H](C)OC)c1	802111986	VXCQYYFTYPBYAL-MRVPVSSYSA-N	315.757	1.926	50	20	DDGD	
Cc1cc(C)n2nc(C(=O)N(C)CC(Cl)Cl)nc2n1	808247945	XHLJYSYZTWSRJU-UHFFFAOYSA-N	302.165	1.617	50	20	DDGD	
N#Cc1cc(F)ccc1NC(=O)C(=O)NNc1ncccc1F	807300332	ABKBJHNZHIFBSP-UHFFFAOYSA-N	317.255	1.313	50	20	DDGD	
CN(NC(=O)[C@@H]1CCCCN1C(=O)c1ccccc1)C1CC1	819645326	GYKRQNDHQZYSOJ-HNNXBMFYSA-N	301.390	1.807	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NNC(=O)CC2CC2)C1	819122888	KVSMHTWTEJDUIB-DGCLKSJQSA-N	309.410	1.219	50	20	DDGD	
Cc1cc(F)c(S(=O)(=O)NNC(=O)CC(C)C)c(F)c1	818048260	IEEFBJRPHAAUOQ-UHFFFAOYSA-N	306.334	1.629	50	20	DDGD	
C=C(C)C(C)(C)C(=O)NNc1nccc(N2CCOCC2)n1	819904569	SWMFQPNPVLXYSN-UHFFFAOYSA-N	305.382	1.359	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2cn(C)nc2C(F)F)ccn1	812226104	WQPKMNQCFYGUIW-UHFFFAOYSA-N	322.319	1.583	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCc2ccnc(C)n2)nc1	815878733	RNPIEXBSAIFXCI-UHFFFAOYSA-N	315.333	1.043	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)c1ccnnc1	817693328	MVSJMRJXRHIOSE-YPMHNXCESA-N	306.366	1.223	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CCNC(=O)C1(CC)CC	819808687	QVOGYVOKROBCKX-UHFFFAOYSA-N	324.425	1.090	50	20	DDGD	
COc1cc(C(C)=NNC(=O)CNc2ccc(C)cc2)on1	814712426	XMQJFGYIIDHUKN-UHFFFAOYSA-N	302.334	1.944	50	20	DDGD	
CCN1C(=O)C(=NNC(=O)c2cnccn2)c2cc(C)ccc21	818287605	OXCIJHOBIPULQB-UHFFFAOYSA-N	309.329	1.286	50	20	DDGD	
CC(C)NC(=O)Nc1cccc(C(=O)NNc2cnnn2C)c1	816770934	REZRVXSWBVIAOL-UHFFFAOYSA-N	317.353	1.102	50	20	DDGD	
COCCOc1ccc(C(=O)NNc2ncncc2F)cc1	817078353	ANMATBGQZABLHK-UHFFFAOYSA-N	306.297	1.398	50	20	DDGD	
CN(NC(=O)Cc1csc(NC(=O)c2ccco2)n1)C1CC1	819642333	FGEZQIHDFKLUKF-UHFFFAOYSA-N	320.374	1.656	50	20	DDGD	
CC(C)c1cc(C(=O)NN(C)[C@@H](C)CO)nn1-c1ccccc1	823947310	WDTLOJJYRGHEMY-ZDUSSCGKSA-N	316.405	1.953	50	20	DDGD	
Cc1cccnc1C=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	826308292	SEGFWABILPRTMK-UHFFFAOYSA-N	307.317	1.334	50	20	DDGD	
C[C@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)[C@H](O)Cc1ccccc1	491088256	YZROJDQQRDOVFW-WPEHCOSPSA-N	324.384	1.435	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H]1c1ccccc1	728957212	NHMMZWNMESXEJU-HNNXBMFYSA-N	310.357	1.812	50	20	DDGD	
CC(=NNC(=O)c1c[nH]nc1C)[C@@H](C)NC(=O)OC(C)(C)C	496387746	UORSPTHVYYTNOS-MRVPVSSYSA-N	309.370	1.737	50	20	DDGD	
COC(=O)c1cc(/C=C(\C#N)C(=O)NC2CCCC2)cn1C	490978457	WJAHNUSSVYIQAE-KPKJPENVSA-N	301.346	1.777	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1	493974354	JUWVXZFATUAOMN-UHFFFAOYSA-N	322.365	1.916	50	20	DDGD	
CCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)C1CCCCC1	728433739	FLGXYNFVDROOQS-SNVBAGLBSA-N	303.428	1.387	50	20	DDGD	
C[C@@H]1CC=C(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)CC1	497192227	GECZYJDYJQBHAH-SNVBAGLBSA-N	311.382	1.405	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C	823950033	AVUURDBNPSZCFT-SNVBAGLBSA-N	315.414	1.731	50	20	DDGD	
C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CC=C(C#N)CC1	824745701	SRSTYYFTIRXZEZ-NSHDSACASA-N	324.344	1.316	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C1COC(C)(C)C1	496038242	CCSXAFLCGJSPAI-LBPRGKRZSA-N	323.393	1.574	50	20	DDGD	
CCCCC[C@@H](O)C(=O)NNC(=O)c1cccc2cccnc12	822879799	WSUZPYUIOFHXKD-CQSZACIVSA-N	315.373	1.937	50	20	DDGD	
Cc1ccn2cc(C(=O)NNC(=O)CNc3ccccc3)nc2c1	823328211	REWHNOMFPBODED-UHFFFAOYSA-N	323.356	1.516	50	20	DDGD	
O=C(/C=C\c1ccc[nH]1)NNC(=O)COc1ccc(F)cc1	492010132	NKESGOJNBNNSQM-YVMONPNESA-N	303.293	1.393	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCCOCC(F)(F)F	490691412	NREASPFYXJCHLV-UHFFFAOYSA-N	301.265	1.304	50	20	DDGD	
CCON1CCC(CC(=O)NNc2nc(C)cc(C)n2)CC1	820523249	IBBOINRRFXGHTB-UHFFFAOYSA-N	307.398	1.590	50	20	DDGD	
CCN(CCO)NC(=O)c1cnn(-c2ccc(Cl)cc2)c1	823853037	XSANSYTYARIRIW-UHFFFAOYSA-N	308.769	1.485	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	826447641	PIYJXISUFSWCSB-XXINRUCKSA-N	310.361	1.602	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(-c2ccc(OC)cc2)[nH]n1	823865328	NOWCSGLTRUIZIM-UHFFFAOYSA-N	304.350	1.044	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2COC(=O)C2)cc1	820078904	VPTFAWQEKCAFBR-WHGQRRHOSA-N	300.314	1.424	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CC[C@H](N2CCCC2)C1	490880098	ULKHTNILIJTZQH-QZFKAFNDSA-N	311.385	1.996	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NN(C)C(=O)OC(C)(C)C)C(C)C	823552976	SYXWVETTWWSBHZ-JTQLQIEISA-N	302.371	1.720	50	20	DDGD	
Cc1c(NC(=O)c2ccc(B(O)O)c(F)c2)cnn1C(C)(C)C	585011366	JKLJYABXKQMRPM-UHFFFAOYSA-N	319.145	1.018	50	20	DDGD	
CCCN(NC(=O)[C@@H]1CCCC(=O)N1C)C(=O)OC(C)(C)C	908160040	OPDSRTAKTVOFKW-NSHDSACASA-N	313.398	1.676	50	20	DDGD	
O=C1CC[C@@H]2[C@H]1[C@H]2C(=O)NNC(=S)Nc1cccc(Cl)c1	905111875	VRDDHQBLKMYMRB-JLLWLGSASA-N	323.805	1.883	50	20	DDGD	
COc1ccccc1C1(CNCc2ccc(B(O)O)cc2)CC1	585020592	CIGUNLVXZMCKGD-UHFFFAOYSA-N	311.190	1.196	50	20	DDGD	
CC(C)(NC(=O)O)C(=O)NNc1c(F)c(F)nc(F)c1F	736337922	XYOPONFGJIOWJE-UHFFFAOYSA-N	310.207	1.127	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCC[C@@H]2CN2CCCC2)cn1	491174179	GMVVWAQVZWVWPW-QOBZYLRHSA-N	313.405	1.414	50	20	DDGD	
CNC(=O)c1ccc(C(=O)NNc2c(F)cccc2F)cn1	735694299	KWKSBURQJIRVCM-UHFFFAOYSA-N	306.272	1.476	50	20	DDGD	
Cc1ccc(CC(=O)NNc2ccccc2S(C)(=O)=O)cn1	732301470	AKIZKJPBJHRVFW-UHFFFAOYSA-N	319.386	1.479	50	20	DDGD	
OB(O)c1ccc(CNCc2cc3c(s2)CCCCC3)o1	585021018	NYAFOIVTOKUTIY-UHFFFAOYSA-N	305.208	1.580	50	20	DDGD	
O=S(=O)(CCl)N1CCO[C@H](c2ccc(F)cc2F)C1	831164565	FCFYDWHINFBNIG-NSHDSACASA-N	311.737	1.864	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCc1ccccn1)c1ccccc1	731217928	DTGWMXRLTCZEQT-UHFFFAOYSA-N	312.373	1.890	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)NNc1cc(C)ccn1)C2	496054059	UPHZTLDWBOLSJJ-AVGNSLFASA-N	316.361	1.476	50	20	DDGD	
COc1ncccc1C(=O)NNC(=O)COc1ccc(F)cc1	906487440	YOXJAQQHZLCKGR-UHFFFAOYSA-N	319.292	1.069	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](C)COc2ccccc2)nn1	730064332	AYHMMHVHTXHRQO-LBPRGKRZSA-N	301.350	1.879	50	20	DDGD	
CN1CCC[C@@H](CCNC(=O)NNc2ccc(Cl)nn2)C1	838767738	LXFQUHQPBWAIRH-JTQLQIEISA-N	312.805	1.488	50	20	DDGD	
Cc1nc(-c2cccs2)ccc1C(=O)N1CC[C@@H](B(O)O)C1	585064021	BKQAZCUKJDDKRU-LLVKDONJSA-N	316.191	1.807	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2c(Cl)c(C)nn2C)n1	905433001	OJTQJZQVOIEVDE-UHFFFAOYSA-N	311.798	1.840	50	20	DDGD	
COc1cc(C#N)ccc1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	831672698	PMARMMKWUPBLMM-GXSJLCMTSA-N	318.333	1.145	50	20	DDGD	
O=C(NN=C1C[C@]2(CCOC2)Oc2ccccc21)c1cccnn1	901276401	OVDDSNHISOQOPM-KRWDZBQOSA-N	324.340	1.552	50	20	DDGD	
CCCCn1ncc(NCc2ccc(B(O)O)o2)c1C(C)C	585037834	LIVLTJOCSDUCNH-UHFFFAOYSA-N	305.187	1.692	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@]1(C)CCC[C@@H]1C	837933118	KPEUDMQMOQNCLI-MKBNYLNASA-N	312.410	1.938	50	20	DDGD	
N#CSCCCNC(=O)C1CCC(N2CCOCC2)CC1	908031550	BIIVIOJIGHILSL-UHFFFAOYSA-N	311.451	1.598	50	20	DDGD	
CCn1ccnc1C(C)=NNC(=O)COc1ccccc1C#N	834927170	IMAPVMUBFRVZFM-UHFFFAOYSA-N	311.345	1.694	50	20	DDGD	
C[C@@H]1C[C@@H](CCNC(=O)NNC(=O)[C@@H]2CCCCO2)CCO1	836395636	WGZMVZQOXIQXHJ-AGIUHOORSA-N	313.398	1.091	50	20	DDGD	
CCCN(CCC)C(=O)COC(=O)/C(C#N)=C\c1cnn(C)c1	837969431	NREXZUXZZHEKRT-ZSOIEALJSA-N	318.377	1.519	50	20	DDGD	
CC[C@H](C)[C@H](NNC(=O)c1cccc(N(C)C)c1)C(=O)OC	905746848	FNLREJCFODEWBL-FZMZJTMJSA-N	307.394	1.575	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cccc([N+](=O)[O-])c1	831047424	QFGWXMBXGFWBFC-GZMMTYOYSA-N	308.294	1.173	50	20	DDGD	
COC[C@@H](NCc1ccccc1B(O)O)c1ccc(Cl)cc1	585038732	KYVBVVMTAPCJJB-MRXNPFEDSA-N	319.597	1.497	50	20	DDGD	
C[C@H](C[C@H](O)c1cccs1)NCc1cccc(B(O)O)c1	585035556	VARRRORJPSDWHF-RISCZKNCSA-N	305.208	1.030	50	20	DDGD	
C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc(B(O)O)ccc1F	584950551	KMHALGFPDQPYKF-UEKVPHQBSA-N	305.158	1.299	50	20	DDGD	
C[C@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1)n1cncn1	736225570	YMQVEYIULWZAFW-SSDOTTSWSA-N	306.234	1.051	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@H]1OCCc2ccccc21	733652499	ZWFLLIZESLSRDF-AWEZNQCLSA-N	305.378	1.677	50	20	DDGD	
Cc1cn2c(C=NNC(=O)c3cnn(C)c3)c(C)nc2s1	735410899	BUAKXEQMGLFDQG-UHFFFAOYSA-N	302.363	1.510	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc2ncccc2c1	748252861	IRPHYVOTUGXWAR-LBPRGKRZSA-N	301.346	1.736	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(-n2ccc(C)n2)cc1	918687604	WNZJOFKTFFESOR-UHFFFAOYSA-N	315.402	1.476	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2cnccc2C)cc1	743298499	WYKMRFKCYUYVNL-UHFFFAOYSA-N	314.345	1.272	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)c2cnn(C)c2C)c1	745195372	CJJXQDYSBFBUHE-UHFFFAOYSA-N	321.381	1.807	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCCCC(=O)O)c1	840992938	YMDZQTCWVOVCOV-UHFFFAOYSA-N	309.322	1.354	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1c2ccccc2OC[C@H]1C	744421516	IMAXZANEYBGKDP-CHWSQXEVSA-N	319.405	1.856	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)N[C@@H]2CCCNC2)cc1	841943591	RLZQVUJXCNQMED-GFCCVEGCSA-N	322.434	1.170	50	20	DDGD	
C[C@]1(C(=O)N2CCC[C@@H](n3ccnn3)C2)C[C@@H]1Br	911290568	BDBFCXTXMONBPJ-SCVCMEIPSA-N	313.199	1.615	50	20	DDGD	
O=C1C[C@H](Cc2ccc(C(=O)NNc3ccccc3)cc2)C(=O)N1	743298280	VNIMRRPGQZLBPT-AWEZNQCLSA-N	323.352	1.649	50	20	DDGD	
CN(C)C(=O)[C@H]1CCN(C(=O)[C@@H](Br)C(C)(C)C)C1	840509815	QSGNDCGKJQOGGA-VHSXEESVSA-N	319.243	1.733	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1n[nH]c2ccccc12	918707053	KWTVAXCFNXLAOY-UHFFFAOYSA-N	301.228	1.069	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=C1CC(NC(=O)OC(C)(C)C)C1	842548846	CTXRFFWTJPSSFS-VXFCFVAISA-N	311.382	1.571	50	20	DDGD	
C[C@@H]1CN(C[C@@H](C)C(=O)NN=Cc2cccnc2)C[C@@H](C)O1	916370725	FABPYYGFMSLBMP-MGPQQGTHSA-N	304.394	1.277	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)C[C@@H](C)C2CC2)c1	744868558	ZDKODXNTCAHNHM-GFCCVEGCSA-N	318.373	1.735	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(F)c(Cl)c1F	843659051	HFHGCOQNWRBAMV-BQBZGAKWSA-N	318.707	1.804	50	20	DDGD	
CCc1ccccc1OCCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843652294	AOCMZIMTHGBUFF-TZMCWYRMSA-N	320.389	1.590	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)c2ccc(Cl)cc2O)n[nH]1	918362419	PRNMXAUQSYULII-UHFFFAOYSA-N	322.752	1.967	50	20	DDGD	
C=C[C@@H](C)ONC(=O)NNC(=O)COc1ccc(C)c(C)c1	845638613	ITCSWTSUYIZODA-GFCCVEGCSA-N	307.350	1.519	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccnn2CC(C)C)n1	842520384	IUDKLEJEQUZFSP-UHFFFAOYSA-N	302.382	1.503	50	20	DDGD	
COc1c(O)ccc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)c1[N+](=O)[O-]	842548831	CSDVVJUNYKHGPD-PSASIEDQSA-N	323.305	1.184	50	20	DDGD	
Cc1ccn(CC(=O)NNc2ncnc(Cl)c2C(C)C)n1	840545505	WJENMJSOSUVHSQ-UHFFFAOYSA-N	308.773	1.902	50	20	DDGD	
COCCCOc1cccc(C=NNC(=O)C(=O)NC(C)C)c1	746489641	ZRKGGRDDERBCRU-UHFFFAOYSA-N	321.377	1.077	50	20	DDGD	
CCN(CC)c1ncc(C=NNC(=O)[C@@H]2CCO[C@H]2C)s1	842552607	BMQOHINUWZPDBG-CMPLNLGQSA-N	310.423	1.864	50	20	DDGD	
COC(=O)c1occc1C=NNC(=O)c1ccc(C)cc1O	917549448	ZLJYIQGIMFZOBK-UHFFFAOYSA-N	302.286	1.844	50	20	DDGD	
CCn1nccc1C(=O)Nc1cccc(NC(=O)NN(C)C)c1	843870067	MUICQMQPGMWHNJ-UHFFFAOYSA-N	316.365	1.753	50	20	DDGD	
C[C@H]1CC[C@H](C(=O)NNc2nccc(N3CCOCC3)n2)CC1	846640384	YDBZRTHWFWCQCA-JOCQHMNTSA-N	319.409	1.583	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1cccc(CO)c1	745485504	PZOANYJWHQBBRD-UHFFFAOYSA-N	318.760	1.836	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@@]2(C)CCOC2)c1	843869932	IKZCVKOPDPLSCQ-HNNXBMFYSA-N	306.366	1.650	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CCOCC(F)F)cc1	846375828	LOLUBWUFDKRFHT-UHFFFAOYSA-N	316.304	1.517	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)NC[C@@H]1COCO1	923843477	LEVBYZDQQXEENM-MRVPVSSYSA-N	315.761	1.252	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H]2CC=CCC2)c1	744533204	WFFGACIDVQVZBI-CYBMUJFWSA-N	316.357	1.656	50	20	DDGD	
CC(=NNC(=O)Cn1c(C)nc2ccccc21)[C@@H]1CCOC1	741759862	ZFSLPVFVMJMIOB-CYBMUJFWSA-N	300.362	1.873	50	20	DDGD	
CC(C[C@H]1CCCC(=O)N1)=NNC(=O)c1ccc(Cl)nc1	841619087	KMYMPJQTEMQMGU-LLVKDONJSA-N	308.769	1.900	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNC(=O)CCc1ccccc1O	842232733	VLXSELNDQAHPNS-CQSZACIVSA-N	308.378	1.533	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc2c(c1)OCCO2	929091140	GDPKPZBXZZMFIB-UHFFFAOYSA-N	303.318	1.414	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)COc1ccc(C)c(C)c1	921165789	XEZGDOWTEJJFCR-CQSZACIVSA-N	320.389	1.811	50	20	DDGD	
CCOc1nc2sccn2c1C=NNC(=O)c1cnccn1	753922795	DRICGDOLORGQBI-UHFFFAOYSA-N	316.346	1.348	50	20	DDGD	
CCc1ncncc1C(=O)NNc1ccc(C)c(C(=O)OC)c1	857267881	SROLVMVZOJXKAY-UHFFFAOYSA-N	314.345	1.891	50	20	DDGD	
COc1cccc2c1CN(S(=O)(=O)CBr)C2	859366740	OMPLIGRRTRPQKS-UHFFFAOYSA-N	306.181	1.693	50	20	DDGD	
Cc1nccn1CCCC(=O)NNC(=O)c1cccc(Cl)n1	857326017	PILAHDHKTLMYBH-UHFFFAOYSA-N	321.768	1.481	50	20	DDGD	
CCCC[C@H](CN)NC(=O)NC[C@@]1(C)C[C@H]1Br	857103442	JEVWPEFKUUPOHJ-CKYFFXLPSA-N	306.248	1.977	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CCC(=O)NNc1ccc(Cl)cn1	856095662	RJRJQVMRCOLASF-UHFFFAOYSA-N	324.728	1.682	50	20	DDGD	
COC(=O)C[C@H]1COCCN1C[C@H](CBr)C1CC1	859304517	DYLQZZKNMXAYRP-RYUDHWBXSA-N	320.227	1.671	50	20	DDGD	
CN(Cc1nncn1C)C(=O)NC[C@]1(C)C[C@@H]1Br	856959470	VBOBDISVRPMMEM-KWQFWETISA-N	316.203	1.130	50	20	DDGD	
CCCc1nnc(NC(=O)NNC(=O)c2cccc(F)n2)s1	854227362	NGBHTKKJYHBZGA-UHFFFAOYSA-N	324.341	1.491	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCC2(CCOCC2)CC1	751529286	OLILWKILRNYBND-ZDUSSCGKSA-N	312.410	1.881	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1ccc(O[C@@H]2CCOC2)cc1	853368625	NXTKRUFFNHKWPS-APHBMKBZSA-N	318.373	1.729	50	20	DDGD	
CC[C@@H]1CC(=NNC(=O)CCCNC(=O)C(C)(C)C)CCO1	853407217	KQKHYEWLDRPWSX-CYBMUJFWSA-N	311.426	1.990	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CN2CC[C@@H]3C[C@H]3C2)cc1C	852633694	CSJITRSPDKMQHJ-NEPJUHHUSA-N	321.446	1.722	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc2c(c1)nc(O)n2CC1CC1	929287971	MUHFKQMZQVNYMT-UHFFFAOYSA-N	316.361	1.569	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H](Oc1ccccc1C#N)C(C)C	921038586	UNUNFAKKBKQZLZ-CQSZACIVSA-N	318.377	1.702	50	20	DDGD	
Cc1onc(CO)c1C(=O)NC[C@@]1(C)C[C@H]1Br	857732527	ASKLICCATNOCDE-LDYMZIIASA-N	303.156	1.379	50	20	DDGD	
CCN1C[C@H](NC(=O)NC[C@]2(C)C[C@@H]2Br)CC1=O	856862052	QTYAYQKTPURQGL-PTRXPTGYSA-N	318.215	1.080	50	20	DDGD	
CNC[C@@H]1CCCN1C(=O)NC[C@]1(C)C[C@@H]1Br	857106094	YNVZCKRAZHTWJI-NHCYSSNCSA-N	304.232	1.553	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ncccc1O	750662535	FZPJNWNNOUJQKC-UHFFFAOYSA-N	305.721	1.444	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C1(F)CCCCC1	854285147	GZUHOJHCLLFBRK-UHFFFAOYSA-N	305.419	1.533	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@H]1CC12CCSCC2)C1CC1	855096826	ZEDHZKQFJNXCCT-MWLCHTKSSA-N	313.492	1.814	50	20	DDGD	
C[C@]1(CNC(=O)CN2CCSC2=O)C[C@H]1Br	857403027	HTCXKRFVNMFFNU-GMSGAONNSA-N	307.213	1.445	50	20	DDGD	
CSSCCNC(=O)NCCN1C[C@H](C)OC[C@@H]1C	854051312	QYHAZRLRCNYMAH-QWRGUYRKSA-N	307.485	1.406	50	20	DDGD	
O=C(CCn1ccnc1)NNC(=O)c1cccc2cccnc12	751397763	VSZQFZDMIJNILZ-UHFFFAOYSA-N	309.329	1.283	50	20	DDGD	
COc1ccnc(CNS(=O)(=O)CC(C)(C)CCl)c1	867523885	LMIWEIVIQYXETO-UHFFFAOYSA-N	306.815	1.775	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cnn(-c2ccccc2Cl)c1	768242095	YDXUVDCQSNBJAQ-UHFFFAOYSA-N	322.752	1.058	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H]2CCO[C@H](c3ccccc3)O2)cc[nH]1	862513162	AZGSOGUAGCQRBV-RDJZCZTQSA-N	313.357	1.759	50	20	DDGD	
CCNC(=O)c1cccc(NC(=O)NNC(=O)C(C)(C)C)c1	769937281	ALBLVNMVDHPCLC-UHFFFAOYSA-N	306.366	1.635	50	20	DDGD	
COC[C@H]1CN(S(=O)(=O)CC(C)(C)CCl)C[C@H](C)O1	867159492	YNLRWPAUAGAJBE-WDEREUQCSA-N	313.847	1.317	50	20	DDGD	
O=C(NN=C1CCN2CCC[C@H]12)c1nnc(O)c2ccccc12	765560721	UPRRLCYIMVFGMW-CYBMUJFWSA-N	311.345	1.289	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)[C@H]2CCC(=O)N2)C12CCCCC2	863148984	OANWBZLRETXBEM-YPMHNXCESA-N	307.394	1.497	50	20	DDGD	
C[C@H]1CN(C(=O)OC(C)(C)C)CC1=NNC(=O)c1cn[nH]c1	863152180	JERGCVCELDRMNX-VIFPVBQESA-N	307.354	1.382	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)C2CCCC2)c1C	764068120	GHRKAMWSESVZTD-UHFFFAOYSA-N	303.362	1.580	50	20	DDGD	
CC[C@@H](CC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccc(C)cc1	862454587	HYUPJDXZBOWKMM-GXTWGEPZSA-N	317.389	1.305	50	20	DDGD	
OB(O)c1cccc(CNc2ccc(-c3csnn3)cc2)c1	864024737	HBMZZXPOXWILEX-UHFFFAOYSA-N	311.175	1.497	50	20	DDGD	
CC[C@H]1C[C@@H](C)CCC1=NNC(=O)Cc1cc(O)nc(O)n1	769583583	DJEHMMHVAWTIJV-UWVGGRQHSA-N	306.366	1.749	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2ccc(C(=O)NC3CC3)cc2)n[nH]1	764795616	WDYGHXHZDUGPLT-UHFFFAOYSA-N	311.345	1.374	50	20	DDGD	
CCOCn1nc(C)c(CC(=O)NNC(=O)C(C)(C)C)c1C	864888984	LIBROVKBOZVHLB-UHFFFAOYSA-N	310.398	1.230	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NN=c2cc[nH]cc2Cl)cc1	768444474	QMCHYBGBVFZRSR-UHFFFAOYSA-N	320.736	1.247	50	20	DDGD	
COC(=O)C1(C(=O)NNc2nc3ccccc3[nH]c2=S)CC1	862292536	HQQAMKWZPCSSNL-UHFFFAOYSA-N	318.358	1.689	50	20	DDGD	
C[C@H]1Oc2c(cccc2C(=O)NN[C@H](C)C(F)(F)F)NC1=O	862312125	FJWXQNPCNFBDCN-RNFRBKRXSA-N	317.267	1.591	50	20	DDGD	
C[C@H]1CCCN([C@H](C)CNS(=O)(=O)CBr)C1	769934441	UKBLTKXQENELSS-VHSXEESVSA-N	313.261	1.379	50	20	DDGD	
CCCC[C@@H](NNC(=O)COc1ccccc1F)C(=O)OC	762552674	LRLIRISUQAEFMY-GFCCVEGCSA-N	312.341	1.557	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2ccco2)cc1OC	764516767	UMYFVWTYIWJRPD-UHFFFAOYSA-N	304.302	1.301	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)[C@H]2C[C@@H](O)C2)cc1OC	873806667	NDVVRIJHFZNUEY-TXEJJXNPSA-N	322.361	1.016	50	20	DDGD	
C[C@]1(CNC(=O)N2CCCN(C=O)CC2)C[C@@H]1Br	875758717	PLAYNSUZLAJHPP-CMPLNLGQSA-N	318.215	1.034	50	20	DDGD	
COc1ccc2c(c1)CC[C@@H](C(=O)NNc1ncc(F)cn1)C2	879318707	YRTLGPGJZMGUOT-GFCCVEGCSA-N	316.336	1.873	50	20	DDGD	
Cc1cnccc1C(=O)NNC(=O)c1cc(Br)c[nH]1	771093464	BGNDFUSSTKBIQR-UHFFFAOYSA-N	323.150	1.555	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cccc(N2CCCCC2=O)c1	878185041	FBWRPEWDKSXJDT-UHFFFAOYSA-N	320.349	1.938	50	20	DDGD	
C[C@@H](NCC(=O)NNC(=O)c1cccs1)c1ccccn1	776249068	SBPBKXZUAWSBED-SNVBAGLBSA-N	304.375	1.255	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CN2CCCC3(CC3)C2)cc1	770697501	AYDFDBLYLUUOMX-UHFFFAOYSA-N	312.373	1.195	50	20	DDGD	
COCCOCC(=O)NN=Cc1sccc1Br	872401350	QUOQFCOQGYWFJF-UHFFFAOYSA-N	321.196	1.624	50	20	DDGD	
CC(=O)CCc1ccc2oc(C(=O)NN(C)C(N)=O)c(C)c2c1	778415724	OBTKXVAQGGGXSE-UHFFFAOYSA-N	317.345	1.918	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCCCc1cccs1	770285220	FMTGZKUGCCWDSI-UHFFFAOYSA-N	309.313	1.964	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@H]2CC2(F)F)cn1	874955175	KDESZAPFCYAWDJ-SSDOTTSWSA-N	302.306	1.063	50	20	DDGD	
C[C@@]1(CNCc2ccc(S(N)(=O)=O)o2)C[C@H]1Br	877648179	XBSLBXXIKPMLTB-SCZZXKLOSA-N	323.212	1.190	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(Br)nc2)n(C)n1	878828385	PBGQNTCUSKMKKM-UHFFFAOYSA-N	324.182	1.897	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@](C)(OC)c1ccccc1	772095578	KNAUCIASGBRIGV-BDJLRTHQSA-N	322.361	1.037	50	20	DDGD	
Cc1cc(C)c2c(c1)C(=NNC(=O)C[n+]1ccccc1)C(=O)N2	1115813263	YQKMMAIVVVZFTF-UHFFFAOYSA-O	309.349	1.064	50	20	DDGD	
COCC(=O)NN=CC(C)(C)[C@@H](C[N+](=O)[O-])c1ccccc1	771095499	AXKFVOWAWWPLBW-ZDUSSCGKSA-N	307.350	1.822	50	20	DDGD	
O=C(NNc1ccccn1)[C@@H]1CC(=O)N(c2ccccc2F)C1	777474414	BFEYMWBHWYVXAE-LLVKDONJSA-N	314.320	1.717	50	20	DDGD	
COC[C@@](C)(O)C(=O)NNc1ccccc1OC(F)(F)F	779207355	STCAKNPKMYDGGM-LLVKDONJSA-N	308.256	1.426	50	20	DDGD	
CC(C)c1nnnn1CC(=O)OC[C@@H](C)CBr	770390600	JMBZMTIKDYPBSI-QMMMGPOBSA-N	305.176	1.371	50	20	DDGD	
C[C@H](CBr)COC(=O)CCCS(C)(=O)=O	770372858	RUULCQGSMLSSQL-MRVPVSSYSA-N	301.202	1.385	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)N1CCC[C@H](CF)C1	883460740	FLVGJPACAKTCMM-CYBMUJFWSA-N	323.368	1.878	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2ccc(C#N)cn2)C[C@@H]1Br	889411079	MAMMIFJYCNZHOO-CABZTGNLSA-N	324.182	1.753	50	20	DDGD	
C[C@H](CNS(=O)(=O)c1ccc(CCCCl)cc1)C(=O)O	776450072	GZUGTFSKWUKVGB-SNVBAGLBSA-N	319.810	1.857	50	20	DDGD	
COC(=O)[C@H](C)n1cccc1C=NNC(=O)c1ccccc1O	774574704	IOJNKTUWEJUQKN-NSHDSACASA-N	315.329	1.692	50	20	DDGD	
CC1=CCC[C@@H](C)[C@@H]1C=NNC(=O)CNC(=O)c1cccnc1	773203865	XTABMVQNDFNTLM-UKRRQHHQSA-N	314.389	1.906	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2nccnc2C(C)C)c1	773999550	LHMBIQLXMJCTQR-UHFFFAOYSA-N	313.361	1.990	50	20	DDGD	
O=C(CCSCc1ccccc1)NNC(=O)C1CCOCC1	883069249	AIWUIYPSJTXPLZ-UHFFFAOYSA-N	322.430	1.884	50	20	DDGD	
Cc1c(NNC(=O)c2cnc(N(C)C)cn2)cccc1[N+](=O)[O-]	779675076	RPFRGHASWIOANJ-UHFFFAOYSA-N	316.321	1.516	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)C1CCOCC1)c1cccc(F)c1	883064069	OHAOXMVVHDVYCF-NSHDSACASA-N	308.353	1.893	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1SCCc2ccccc21	887144585	SFUXNKTZAUSEEO-HNNXBMFYSA-N	302.399	1.968	50	20	DDGD	
COCC(=O)NN=Cc1c(C)nn(-c2ccccc2C)c1C	884435968	PMRIBFVECAYXMK-UHFFFAOYSA-N	300.362	1.894	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cc2c(nc1O)CCC2	781819144	ZNWDFIIZVUMKGL-UHFFFAOYSA-N	305.725	1.476	50	20	DDGD	
O=C(NN=C1COCc2ccccc21)C(=O)Nc1ccccn1	782249626	OJNXRCFOZXBFFD-UHFFFAOYSA-N	310.313	1.071	50	20	DDGD	
C[C@H](CBr)CN1CCN(CC(C)(C)O)C[C@@H]1C	781941884	VVILSPJQXBSNEY-NEPJUHHUSA-N	307.276	1.794	50	20	DDGD	
COc1ccc(NNC(=O)c2[nH]nc(C(F)(F)F)c2C)nc1	1120722322	RFKLDCPFKWTCJU-UHFFFAOYSA-N	315.255	1.897	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)NNC(=O)Cc2cn3ccccc3n2)C1	780794040	FBVVLMMQUXJNCO-NEPJUHHUSA-N	315.377	1.396	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cc(N(C)C)nc2ccccc12	781070979	NPKCQNSCISDZBQ-UHFFFAOYSA-N	300.362	1.718	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)NC[C@H]2C[C@@H](N)C2)cc1	892565153	QBNXFCPVNLNGAH-VDISTLRHSA-N	318.421	1.665	50	20	DDGD	
CC(C)n1ccc(CNC(=O)NNc2ncncc2Cl)n1	780991664	QRSWCKIIBSEUJE-UHFFFAOYSA-N	309.761	1.734	50	20	DDGD	
Cc1cc(C)n(CCCC(=O)NNc2nccnc2Cl)n1	894972526	CEWVEVXAWNPKTH-UHFFFAOYSA-N	308.773	1.867	50	20	DDGD	
Cc1ccncc1NC(=O)C(=O)NNc1ncccc1Cl	784815481	WUJRRDUCRCFHKE-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
Cn1ncc(Cl)c1C=NNC(=O)c1cc([N+](=O)[O-])ccc1O	780228322	UNSKTSTWXFZZMP-UHFFFAOYSA-N	323.696	1.451	50	20	DDGD	
CCn1nccc1NC(=O)C(=O)NNc1ccc(F)cc1F	783340488	XUPRNJFGJCOLKN-UHFFFAOYSA-N	309.276	1.263	50	20	DDGD	
C[C@@H]1CCc2[nH]nc(C(=O)NNc3ncncc3Cl)c2C1	897499637	OVNNFUKYWGOTLP-SSDOTTSWSA-N	306.757	1.735	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccccc1O)[C@H]1CCCOC1	780860774	GPEUZKQSXGJFQH-MNOVXSKESA-N	307.350	1.151	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCc1cn(C)cn1)c1ccccc1	898629384	IGLVLOJNQULYHQ-CQSZACIVSA-N	315.377	1.444	50	20	DDGD	
COc1cccc(C2=NO[C@@H](C(=O)NNc3cnccn3)C2)c1	792333610	VGHATQZXHNOYSZ-CYBMUJFWSA-N	313.317	1.122	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)c2ccc(O)c(O)c2)on1	793051161	HZFRWKMKXCRILD-UHFFFAOYSA-N	319.273	1.026	50	20	DDGD	
N#Cc1cccc(NNC(=O)C(=O)Nc2cccc(Cl)n2)c1	793028108	GHGYVBLQPUAHJV-UHFFFAOYSA-N	315.720	1.688	50	20	DDGD	
C=C(CBr)CN1CCN(C[C@@H]2CCCO2)CC1	791441376	ADVNBMRTCXPWQP-ZDUSSCGKSA-N	303.244	1.734	50	20	DDGD	
COc1ccc2nc(NNC(=O)c3cnnn3C)c(C)cc2c1	798989861	VBKWBESEDLVXOM-UHFFFAOYSA-N	312.333	1.437	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@H](O)c1cccc(C(F)(F)F)c1	795822283	HETQKROSRSCVNX-SECBINFHSA-N	305.256	1.041	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccnn1-c1ccccc1	791617459	BTVVSNYEMFAZPV-UHFFFAOYSA-N	321.340	1.271	50	20	DDGD	
CC[C@H](NC(=O)NNc1nc2ccccn2n1)C1CCOCC1	790408976	IUZUAZCKLBZTIP-LBPRGKRZSA-N	318.381	1.561	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNC(=O)C(C)C)c(C)cc1C	796989916	LRCLGJOXNRVZKB-UHFFFAOYSA-N	307.350	1.054	50	20	DDGD	
CC(=NNC(=O)C(N)=O)c1cc(C)c(Br)s1	794858606	PBTWSFBSJHTGDK-UHFFFAOYSA-N	304.169	1.145	50	20	DDGD	
CSSCCNS(=O)(=O)c1cccc2c1COC2=O	790350456	UYQMXMVNXNZNCW-UHFFFAOYSA-N	319.429	1.647	50	20	DDGD	
CCCNC(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N	794904036	WGELUYBYILYDGY-UHFFFAOYSA-N	300.366	1.806	50	20	DDGD	
CC(C)CCO[C@@H](C)C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1318099513	RCVOJWGVKDZRIN-NSHDSACASA-N	322.409	1.501	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)c2ccccc2F)c(=O)n(C)c1=O	1317757384	UZDHILVGIHQMOF-YFHOEESVSA-N	313.288	1.013	50	20	DDGD	
CCc1ccc2c(c1)C(=NNC(=O)C[n+]1ccccc1)C(=O)N2	1317710661	ZGJFGXZKXNCNSI-UHFFFAOYSA-O	309.349	1.009	50	20	DDGD	
CC(C)(F)CCNC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1329545508	JVQRFZMCLCVYHT-PRHODGIISA-N	323.206	1.531	50	20	DDGD	
Cc1c(C=NNC(=O)C[n+]2ccccc2)n(C)c2ccccc12	1324914279	RITSJVUDNJWQOI-UHFFFAOYSA-O	307.377	1.925	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(=O)n(C)c3ccccc23)nc(C)n1	1328926104	LMLNSUUGNICAIZ-UHFFFAOYSA-N	323.356	1.702	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cc2cc[nH]c2cn1	1329889078	WSCMIPCCRMKEJL-SCZZXKLOSA-N	303.322	1.141	50	20	DDGD	
Cc1ccc2c(c1)CC[C@@H](C(=O)NNC(=S)NC(C)C)O2	1339599537	LAFDOLWTLMEKSV-ZDUSSCGKSA-N	307.419	1.592	50	20	DDGD	
O=C(NN=C1CC[C@H](C(=O)O)c2ccccc21)C1CCOCC1	1331350255	JHCCGJQZFUOWDH-AWEZNQCLSA-N	316.357	1.896	50	20	DDGD	
CO[C@H]1CCC[C@@H]1C(=O)NNc1nnc(-c2ccccn2)s1	1337188827	IJLKCAKSVXSUJN-ONGXEEELSA-N	319.390	1.858	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C1CCNCC1)c1ccc(F)cc1	1337005218	WGQUHLQOOUTOEE-SNVBAGLBSA-N	308.357	1.217	50	20	DDGD	
C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)NNC(=O)c2cn[nH]c2)C1	1331537218	QMTABNPWBDJQIL-RISCZKNCSA-N	313.361	1.847	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@]2(F)CCOC2)c1C	1258436602	IUUINKCAJXUTAC-LRDDRELGSA-N	324.352	1.347	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@@H]([C@@H]2CCCCO2)C1)c1cn[nH]c1	1331536901	MIHUWANUDGLDIJ-YPMHNXCESA-N	321.381	1.045	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc(C(F)(F)F)cn1	1262107091	BQXYIDKWOILGKG-UHFFFAOYSA-N	317.267	1.288	50	20	DDGD	
C[C@]1(NC(=O)NNc2cc(F)c(F)cc2F)CCOC1=O	1348578481	ZEGPINNKWOFTCD-LBPRGKRZSA-N	303.240	1.436	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)CNc2ccccc2F)on1	1261235311	OQKUYLCTGQJCJU-UHFFFAOYSA-N	320.280	1.163	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	1349067880	HOAOPIUYAGWEJN-UBHAPETDSA-N	324.381	1.150	50	20	DDGD	
CC1(C)C[C@@H](NC(=O)NNc2ccc(C(=O)O)c(F)c2)CO1	1604515655	OBFKQGZZNUIRHU-SECBINFHSA-N	311.313	1.718	50	20	DDGD	
O=C(NN=C1C[C@H]2C[C@H](C(=O)O)[C@H]1C2)c1cccc(Cl)n1	1601551881	CQJYTIIMAKYVTI-HLTSFMKQSA-N	307.737	1.952	50	20	DDGD	
Cc1sc(C(=O)NNc2ccc(C(=O)O)cc2F)nc1O	1600866313	KLDQDFYRAFJWKV-UHFFFAOYSA-N	311.294	1.751	50	20	DDGD	
O=C(O)Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCCS2)cc1	1602124983	KSNPKIMBPAGAMS-NSHDSACASA-N	323.374	1.362	50	20	DDGD	
O=C(CCN1CC[C@H](F)C1)NNc1cccc(C(=O)O)c1F	1601276115	XMDSKHQTSNAFON-VIFPVBQESA-N	313.304	1.401	50	20	DDGD	
O=C(O)[C@]1(C(=O)NNc2nc3ccccc3[nH]2)CC=CCC1	1605935884	VCXSWOYUZCINRU-OAHLLOKOSA-N	300.318	1.817	50	20	DDGD	
Cc1cnn(C)c1NC(=O)NNc1cccc(C(=O)O)c1F	1600635283	FVJADURBDHMPAT-UHFFFAOYSA-N	307.285	1.714	50	20	DDGD	
Cc1cc(C(=O)O)oc1C(=O)NNC(=O)NCc1ccccc1	1607602767	DXYJCPOOTQUSOP-UHFFFAOYSA-N	317.301	1.430	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H](C(=O)O)C(C)C)c1ccccc1	1603489264	WKDTWSMPYIDHMG-STQMWFEESA-N	306.362	1.684	50	20	DDGD	
CS[C@H]1CCC1=NNC(=O)c1cccc(-c2nn[nH]n2)c1	1605371100	IIIXKOPQQAUNRK-NSHDSACASA-N	302.363	1.478	50	20	DDGD	
Cc1cc(C2(C(=O)NNc3ccc(C(=O)O)cn3)CC2)on1	1600182884	QEJOWUZROTXMJL-UHFFFAOYSA-N	302.290	1.251	50	20	DDGD	
Cc1c(NNC(=O)c2cc(C(=O)O)co2)cccc1[N+](=O)[O-]	1600055555	FPWGHMGWIOWKNG-UHFFFAOYSA-N	305.246	1.951	50	20	DDGD	
CSSCCNC(=O)Nc1cccc(-c2nn[nH]n2)n1	1605380332	KERZHJQTRFEFNR-UHFFFAOYSA-N	311.396	1.394	50	20	DDGD	
C[C@@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Cl)C2	1802288598	AINRVUNFJYJVJV-SPFKKGSWSA-N	308.806	1.477	50	20	DDGD	
COc1cccc(NNC(=O)C23CCC(C(=O)O)(CC2)C3)n1	1610356934	QHNSCUPDQQTCLQ-UHFFFAOYSA-N	305.334	1.568	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@H]2CCc3c[nH]nc3C2)c1	1610848267	AMXFCXSEYAVTOM-VIFPVBQESA-N	300.318	1.356	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@]23[C@@H]4[C@H]5C(=O)[C@H]2[C@@H]2[C@@H]5C[C@@H]4[C@@H]23)c1	1610848509	JEVDKCUZNPBAFW-WCXTXKRZSA-N	324.336	1.155	50	20	DDGD	
CCn1cc([C@H]2OCC[C@H]2C=NNC(=O)c2cc(C)[nH]n2)cn1	1552449474	MGBHLHHUANZNIB-FZMZJTMJSA-N	316.365	1.428	50	20	DDGD	
CNNC(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1	1578745533	YMKPSUIPDYQABE-UHFFFAOYSA-N	300.362	1.407	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)CCCCCN)cc(Cl)n1	1578247137	XFKNFJQKTCBSJS-UHFFFAOYSA-N	312.801	1.578	50	20	DDGD	
C=C(C)[C@@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cn1)OCC	1588402706	KOMWLPZQOCJXMF-LLVKDONJSA-N	317.353	1.076	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCCO1)c1cccc(-c2nn[nH]n2)c1	1588773120	SZZFCUWYGWREQV-ZDUSSCGKSA-N	314.349	1.276	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)CCCOC)C1	1841265582	VACLCYZHHGOXEM-LBPRGKRZSA-N	316.829	1.634	50	20	DDGD	
CC(C)N1CCC[C@H](C(=O)NNc2ccccc2C(=O)O)C1	1591622191	ALEQCLCADAIFSI-LBPRGKRZSA-N	305.378	1.948	50	20	DDGD	
O=C(NN=Cc1ccc(-c2nn[nH]n2)cc1F)[C@H]1CCCS1	1593155560	QDPXUDVSECTPGQ-LLVKDONJSA-N	320.353	1.352	50	20	DDGD	
CCC(=O)NN=Cc1cccn1Cc1ccccc1-c1nn[nH]n1	1590366070	VITBQHXNOBLFMB-UHFFFAOYSA-N	323.360	1.577	50	20	DDGD	
CN(NC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)O)C[C@@H]12)c1ccccc1	1598540950	HPCDJILVENSTAE-OXHZDVMGSA-N	303.362	1.836	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccoc1Cl	1593167868	UQTUUBUYFSXNOK-UHFFFAOYSA-N	304.697	1.870	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2cc(C(=O)O)cn2C)c1	1776016569	RWSXVIBRKRQORZ-UHFFFAOYSA-N	315.329	1.561	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C\c1ccc(C(=O)O)cc1[N+](=O)[O-]	1776117670	FFKWMSYLUPTSTE-KMKOMSMNSA-N	309.241	1.460	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl)[C@H]1C[C@H]1F	1796809136	VPGWELWMPHDWJK-WYVINJBVSA-N	306.740	1.517	50	20	DDGD	
COC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl	1796804013	IETVFMALJRLJTH-VLEAKVRGSA-N	320.792	1.584	50	20	DDGD	
Cc1ccc(NNC(=O)CCn2cc([N+](=O)[O-])nc2C)cc1	158676382	MUKJMHSHDMCLHP-UHFFFAOYSA-N	303.322	1.942	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(F)c(F)c(F)c1)N1CCSCC1	154175868	UDFKPNMHSRAKRE-QMMMGPOBSA-N	319.352	1.984	50	20	DDGD	
N#Cc1cccc(C(=O)NN[C@@H](C(N)=O)c2ccc(F)cc2)c1	103499372	BRQGNUANEMINSN-CQSZACIVSA-N	312.304	1.158	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCN(Cc2cccs2)CC1	109150452	UKCIXKKVCAGUHI-UHFFFAOYSA-N	324.450	1.653	50	20	DDGD	
O=C(CCOc1ccc(Cl)cc1)NNC(=O)Cc1cc[nH]n1	106417224	FBUFVPCXCNSPER-UHFFFAOYSA-N	322.752	1.222	50	20	DDGD	
Cc1ccc(NNC(=O)NCCN(C)c2ccccc2)nn1	106329691	ZULZMNVHRAMTMA-UHFFFAOYSA-N	300.366	1.548	50	20	DDGD	
COc1c(C)cc(C(=O)NNC(=O)c2cc(C)n[nH]2)cc1C	179982047	DEYSIIGHGRBNNP-UHFFFAOYSA-N	302.334	1.418	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1	25597616	SCGRNZJTEBEHHK-OAHLLOKOSA-N	321.402	1.062	50	20	DDGD	
Cc1ccnc(NNC(=O)c2cc(S(N)(=O)=O)ccc2C)c1	176721230	YEVVXPAOXCIWNG-UHFFFAOYSA-N	320.374	1.103	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)COc1cccc(C)c1	173059075	LPVYBWMAWSJRDD-UHFFFAOYSA-N	306.362	1.504	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C(F)(F)C(F)F)c1	175718747	ZEPVDMRYCSNSSJ-UHFFFAOYSA-N	322.258	1.730	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNc1ccc(F)cc1F	113433174	LJTCEOUJGZVRCM-UHFFFAOYSA-N	301.293	1.933	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCN(CC2CC2)CC1	114173202	DAPAZNIIQYCJQX-UHFFFAOYSA-N	324.856	1.907	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1C[C@@H]2[C@@H](C1)C2(C)C	176590889	IDHGMYVEVVRNFD-VXGBXAGGSA-N	303.362	1.637	50	20	DDGD	
COc1cc(C(=O)OC[C@]2(C)C[C@H]2Br)ncn1	1348960411	BFOQBVXMDMQGEE-KCJUWKMLSA-N	301.140	1.816	50	20	DDGD	
O=C(COCCc1ccccc1)NNc1nccnc1Cl	114897273	QVQYRQPUJQJYNW-UHFFFAOYSA-N	306.753	1.832	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)COc1ccccc1CC	66894601	CJGVAZUQPLQBSW-CYBMUJFWSA-N	320.389	1.756	50	20	DDGD	
CCCC[C@@H](CCC)NC(=O)NNC(=O)C(=O)N1CCCC1	175993034	SOWMOXJTZXLPDI-GFCCVEGCSA-N	312.414	1.298	50	20	DDGD	
C[C@H](C(=O)NNC(=O)N(C)C)c1ccc(Br)s1	172907594	PLXRCNQJDXFFSD-LURJTMIESA-N	320.212	1.917	50	20	DDGD	
O=[N+]([O-])c1ccccc1CNS(=O)(=O)CBr	127415141	CEMYKYDOFWPPKU-UHFFFAOYSA-N	309.141	1.367	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1ccc(-c2ncn[nH]2)cc1	184434514	HYIAOJHVMQSTLZ-UHFFFAOYSA-N	323.312	1.252	50	20	DDGD	
CCc1ccc(C(=O)CCC(=O)NNC(=O)[C@@H]2CCCO2)cc1	32257609	PAPNDBJDTZFSNM-HNNXBMFYSA-N	318.373	1.538	50	20	DDGD	
Cc1cc(C(=O)NNc2cccnn2)nn1-c1ccc(F)cc1	181891675	GSROLAFUMRWYMZ-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
CCCC(=O)N1CCC[C@H]1C(=O)NNc1cccc(OC)n1	183031575	GBVBXKJAVACCRA-NSHDSACASA-N	306.366	1.324	50	20	DDGD	
Cc1nn(C)c(C)c1OCC(=O)NNc1nnc(C2CC2)s1	184456486	JNTMONRWYQFJKB-UHFFFAOYSA-N	322.394	1.288	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)Cn1nc(C)cc1C	79541653	IGVFQOMDOPITEH-KBPBESRZSA-N	321.425	1.799	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Nc2nc3ccccn3n2)cc1	184407548	XXJQCIGCSVUYSN-UHFFFAOYSA-N	324.344	1.758	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)[C@@H]1OCCc2ccccc21	123873617	LTWFHPMUZKSDFR-GFCCVEGCSA-N	310.317	1.110	50	20	DDGD	
CC(C)S(=O)(=O)CC(=O)NNc1nc(-c2ccccc2)no1	76461778	LMPMAQZBYFUDPU-UHFFFAOYSA-N	324.362	1.003	50	20	DDGD	
Cc1cc(C(=O)NNc2ncc(F)cn2)ccc1-n1cncn1	122486550	SGAHIMOLGSIZRK-UHFFFAOYSA-N	313.296	1.262	50	20	DDGD	
Cc1cccc(NC(=O)NNC(=O)Cc2ccncc2)c1F	183907068	AOOUCBKPIMTQML-UHFFFAOYSA-N	302.309	1.925	50	20	DDGD	
CN(C)C1(CNC(=O)NNC(=O)c2ccccc2)CCCCC1	43109584	VXRGQQYTKFACHI-UHFFFAOYSA-N	318.421	1.895	50	20	DDGD	
O=C(NNC(=O)c1cccnc1OCC(F)F)c1ccc[nH]1	89605259	GTEQUODZBJUCQG-UHFFFAOYSA-N	310.260	1.128	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2CC=CC2)cc1C	132017606	FWLYUDABJXTAJX-UHFFFAOYSA-N	301.346	1.356	50	20	DDGD	
COc1ccccc1NCC(=O)NNc1nc2ccccn2n1	191922424	UYVARROQTQFSOX-UHFFFAOYSA-N	312.333	1.293	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)c1ccc[nH]1)c1ccccc1F	191881718	OUJQGIBCJSLZOC-OAHLLOKOSA-N	305.309	1.477	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)Cc2cc[nH]n2)ccc1Cl	194433126	WRWJRBQVLJGMJQ-UHFFFAOYSA-N	323.740	1.467	50	20	DDGD	
CC1CCN(CCNC(=O)NNC(=O)c2ccccc2)CC1	46369929	SNFREDKIOAFSOB-UHFFFAOYSA-N	304.394	1.363	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc(CN(C)C)c2)o1	84374014	SSDBQFOJMPKRQY-UHFFFAOYSA-N	301.346	1.724	50	20	DDGD	
Cn1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O	193101409	RNUSORRILINNHP-YRNVUSSQSA-N	312.285	1.056	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)NC1CCN(C2CC2)CC1	45409789	UAHVMVBYOZCVOS-UHFFFAOYSA-N	319.365	1.848	50	20	DDGD	
O=C(NCCc1cccnc1)NNc1cccc([N+](=O)[O-])c1	193155636	ULKIQPIQCJIKQK-UHFFFAOYSA-N	301.306	1.859	50	20	DDGD	
N[C@H]1CCN(S(=O)(=O)c2ccc(CCCCl)cc2)C1	237928742	IJIUOWGHPAKHBP-LBPRGKRZSA-N	302.827	1.580	50	20	DDGD	
CCONC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	266590178	MZIKEAWTCGIEHG-UHFFFAOYSA-N	304.253	1.575	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1nc(CC)c(C(=O)OC)s1	269734370	ZBGYIIFEPWVHBG-BQYQJAHWSA-N	309.347	1.875	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1ccc2sccc2c1	268523516	VPPQPXBSFSTGBX-UHFFFAOYSA-N	305.359	1.588	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cocn2)c1C	264327373	ZDSXROIVBVZQDG-LLVKDONJSA-N	303.318	1.520	50	20	DDGD	
COc1ccc(OC)c(CC(=O)NNC(=O)OC(C)(C)C)c1	269054370	WUZIEWDFIWXVLF-UHFFFAOYSA-N	310.350	1.802	50	20	DDGD	
O=C(Cc1ccccc1Br)NNC(=O)NC1CC1	264155181	IHXNPOBFEZPKHT-UHFFFAOYSA-N	312.167	1.484	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@H](C(N)=O)C1	265043806	NEJLJRRDLDJNAJ-NSHDSACASA-N	312.801	1.076	50	20	DDGD	
C[C@H](C(=O)NNC(=O)COc1ccc(C#N)cc1)C(C)(C)C	265279921	OJJCOBCEAIHHGV-LLVKDONJSA-N	303.362	1.767	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)COCc2ccccc2)CCO1	271322568	YLTQBVZMWMOXFT-GXTWGEPZSA-N	321.377	1.101	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)CCCn2cccc2)c1	272039978	QXOJMXYEUYZBJM-UHFFFAOYSA-N	321.402	1.815	50	20	DDGD	
COCCCNC(=O)NNC(=O)C1(c2ccccc2C)CCC1	276432586	FXZCANIPSPZQFR-UHFFFAOYSA-N	319.405	1.784	50	20	DDGD	
COc1ccc(NNC(=O)C(C)(C)NC(=O)C(F)(F)F)cc1	277407748	YZHQKSGIIPCBFB-UHFFFAOYSA-N	319.283	1.595	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNc2nnc(-c3ccccn3)s2)CCO1	276515239	WZCUKCDMMPQDSY-ZJUUUORDSA-N	319.390	1.858	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H]2CCCN2C2CC2)n1	278495416	HZDRRPBBQKGJBO-ZDUSSCGKSA-N	318.425	1.393	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2ccccn2)[C@@]12CCCO2	368173854	NPANFSLECMRLDC-JMSVASOKSA-N	306.366	1.434	50	20	DDGD	
COC(=O)NNC(=O)c1nn(-c2cccc(C(C)C)c2)cc1O	274292098	MWKUEMBAOZUGMD-UHFFFAOYSA-N	318.333	1.702	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](C)[C@@H]2CCCCO2)s1	272012342	WELZIVLNKCPXLO-MNOVXSKESA-N	311.407	1.958	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H](C)c2nnc(C)s2)n1	273653218	JARKHAOYDFVYRB-SSDOTTSWSA-N	323.382	1.341	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cnn(CC(F)F)c1	285408576	XAIUJPIOHZZKBG-UHFFFAOYSA-N	324.378	1.214	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H](CC)Oc1cccc(C)c1	281259444	OVNQDBMDLVJHBC-ZDUSSCGKSA-N	307.419	1.834	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H](C)OC[C@H]1CCCO1	288613814	IWCZFVVVQBBIJJ-WCQYABFASA-N	323.349	1.930	50	20	DDGD	
Cc1ccc2c(c1)CC[C@H](C(=O)NNc1nc3ccccn3n1)O2	373591411	FJBMAUHBDQALRO-CQSZACIVSA-N	323.356	1.875	50	20	DDGD	
Cc1noc(C)c1C(C)(C)C(=O)NNC(=O)NC1CCCC1	280918478	XFWYOFXCXFXIJY-UHFFFAOYSA-N	308.382	1.842	50	20	DDGD	
COCCC1(CNC(=O)NNC(=O)c2cccc(C)n2)CC1	280382660	UJZUHFRAMZBWDR-UHFFFAOYSA-N	306.366	1.151	50	20	DDGD	
COc1ncccc1NC(=O)C(=O)NCCSSC	285289512	PPDSDTLRFKZQNT-UHFFFAOYSA-N	301.393	1.156	50	20	DDGD	
O=C(NNC(=O)c1cc(F)cc2nn[nH]c12)c1ccccc1F	800379426	RSEVBRXCXHHDCU-UHFFFAOYSA-N	317.255	1.311	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)[C@@H](F)c1ccccc1	804956085	ZEUJZHATNPVERJ-AWEZNQCLSA-N	312.308	1.816	50	20	DDGD	
C[C@@H]1CN(CCOC(=O)/C(C#N)=C/c2ccc(O)cc2)CCO1	800180235	ZDWSEWISDXDCFT-QQFZQELXSA-N	316.357	1.563	50	20	DDGD	
Cc1ccc2c(c1)C(=O)N(CC(=O)NCCCSC#N)C2=O	808025662	NZRACQKXPFCOFN-UHFFFAOYSA-N	317.370	1.312	50	20	DDGD	
O=C(NNc1cccnn1)N[C@@H]1CCN(c2ccccc2F)C1	293503926	SRACHTYEHVBKKK-LLVKDONJSA-N	316.340	1.521	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C[C@H](C)CC(C)C	807370673	QZHGZCOLELEEMM-GFCCVEGCSA-N	302.415	1.995	50	20	DDGD	
C#Cc1cncc(C(=O)NNC(=O)C(C)(C)c2ccccc2)c1	806825095	YPCHGZDBIAAVEF-UHFFFAOYSA-N	307.353	1.802	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(CCCNC(=O)NNc2ccncn2)C1	296314964	LENJUXHZWRHIAJ-BETUJISGSA-N	306.414	1.471	50	20	DDGD	
Cc1nc(Cl)c(Cl)cc1C(=O)NNC(=O)[C@@H]1CCCO1	292110193	IZXZCDWLGARYBE-VIFPVBQESA-N	318.160	1.637	50	20	DDGD	
COCc1ccccc1NC(=O)NNC(=O)[C@@H]1CCCCO1	296399168	QOJVRCNQPJEXFB-ZDUSSCGKSA-N	307.350	1.555	50	20	DDGD	
Cn1nc(NC(=O)NNc2nc3ccccn3n2)cc1C1CC1	290398582	LUJSPTLTJPHQIQ-UHFFFAOYSA-N	312.337	1.489	50	20	DDGD	
N#CCCCCCC(=O)NNC(=O)COc1ccccc1O	806818067	NUDYFWCGLJKISI-UHFFFAOYSA-N	305.334	1.392	50	20	DDGD	
C[C@H](CBr)CN1CCC[C@@H](S(C)(=O)=O)CC1	800459826	DUYHDNUWNKQSCN-GHMZBOCLSA-N	312.273	1.917	50	20	DDGD	
CC(=O)c1cccc(O[C@H](C)C(=O)NNC(=O)CC2CC2)c1	294090184	IKZBUBXXXBIDNR-LLVKDONJSA-N	304.346	1.604	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CC2CC2)c(Br)n1	294314784	XVQMYTTULDXUFS-UHFFFAOYSA-N	312.167	1.714	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@@H]21	809147182	LGYULJGVKZVLPB-IMBONUEFSA-N	305.378	1.194	50	20	DDGD	
COC(C)(C)CNC(=O)NNc1ccc2c(=O)[nH]ccc2c1	806874283	TXAGZXFQGMFEQL-UHFFFAOYSA-N	304.350	1.579	50	20	DDGD	
O=C1CCC[C@@H](C(=O)NNc2cc(C(F)(F)F)ccn2)N1	295389873	QJPAYRGMMQRNMV-QMMMGPOBSA-N	302.256	1.212	50	20	DDGD	
CN1C(=O)CC[C@@H]1C(=O)NNc1ncc(Cl)cc1Cl	807267813	CZVIEPJIJDDBLH-MRVPVSSYSA-N	303.149	1.452	50	20	DDGD	
O=C(NCCc1cccc(F)c1)NNC(=O)[C@@H]1CCCCO1	297377436	GCTNUECLKDFUHP-ZDUSSCGKSA-N	309.341	1.268	50	20	DDGD	
Cc1ncc2n1CC[C@H](C(=O)NNc1ncccc1Cl)C2	291438328	ZDSICHWTJLCXGI-JTQLQIEISA-N	305.769	1.946	50	20	DDGD	
Cc1nnc2ccc(C(=O)NNc3nccnc3C3CCC3)cn12	805464583	ASNCLDURZOZMNM-UHFFFAOYSA-N	323.360	1.852	50	20	DDGD	
COCC(=NNC(=O)C(=O)NC(C)C)c1ccc(Cl)cc1	814777326	SQPAHIYZSUEVNK-UHFFFAOYSA-N	311.769	1.331	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNc2ncncc2F)ccc1C	817081233	XFJVPDMWIYEKJX-UHFFFAOYSA-N	303.297	1.639	50	20	DDGD	
COCCC(=NNC(=O)Cc1cc[nH]n1)c1ccc(F)cc1	814955089	UFWSSJLPLYXPPP-UHFFFAOYSA-N	304.325	1.648	50	20	DDGD	
CC[C@@H](C)CONC(=O)NNC(=O)COc1ccccc1O	813824607	PNVXTCXNEITION-SNVBAGLBSA-N	311.338	1.079	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)Cc1c[nH]c2ccccc12)C1CC1	812451282	FSCVHQSYRXVENZ-QGZVFWFLSA-N	315.373	1.673	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)c2ccc(N)nc2)cc1OC	814699543	HNIVWJALVFCBTR-UHFFFAOYSA-N	314.345	1.835	50	20	DDGD	
CCCC(=NNC(=O)C(=O)Nc1ccccn1)c1ccccn1	814869775	VBSGJFUCQFTTCN-UHFFFAOYSA-N	311.345	1.736	50	20	DDGD	
COC(=O)[C@H]1C[C@H]2CC(=NNC(=O)Cc3ccncc3)[C@H]1C2	817325255	CLXCCHGTZAQTKZ-AVGNSLFASA-N	301.346	1.315	50	20	DDGD	
Cc1ccc(N2C[C@@H](C(=O)NN(C)C3CC3)CC2=O)cc1F	819643697	KWEWVVJVUAWNJQ-NSHDSACASA-N	305.353	1.612	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H](C)OCc1ccc(F)cc1	822777362	CWPHWNSPMNTWEF-NSHDSACASA-N	311.357	1.861	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccc2c(c1)CCO2	727866151	RKADBZRZONMBTB-UHFFFAOYSA-N	305.403	1.531	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)CCCc2ccccc2)CO1	825886059	SXJVPUWEVCRULI-OCCSQVGLSA-N	305.378	1.517	50	20	DDGD	
CCO[C@@H]1C[C@@H](NCC(=O)NNC(=O)C(C)C)C12CCCC2	829634101	AYOUWMYSNKTQPK-CHWSQXEVSA-N	311.426	1.117	50	20	DDGD	
CC1CCN(c2ccc(C(=O)NNC(=O)C(C)C)cn2)CC1	727099200	OCXDSTKTYMAWFR-UHFFFAOYSA-N	304.394	1.735	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CN(C(=O)OC(C)(C)C)C(C)C	820711147	ZRKMLFXXPNXDNC-UHFFFAOYSA-N	315.414	1.825	50	20	DDGD	
CC(C)[C@H](NC(=O)O)C(=O)NNc1ncnc2ccsc12	824135249	DIGUDYIIHILRBK-QMMMGPOBSA-N	309.351	1.427	50	20	DDGD	
CCn1nc(C)c(CNC(=O)NNc2cccc(F)c2F)n1	824708608	SJPVRKKINPOZFX-UHFFFAOYSA-N	310.308	1.711	50	20	DDGD	
CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)NNC(=O)OC	495408363	RAUJMSJSCOKEDZ-ZDUSSCGKSA-N	303.359	1.315	50	20	DDGD	
CC(C)Cc1cc(NC(=O)/C(C#N)=C/c2cnn(C)c2)n(C)n1	822883704	MRORZSRPQRBLFR-AWNIVKPZSA-N	312.377	1.898	50	20	DDGD	
Cc1cc(C(=O)NN(C)[C@@H](C)CO)nn1-c1ccccc1Cl	823938858	BFZLQGPCKOMSMV-NSHDSACASA-N	322.796	1.792	50	20	DDGD	
CCC[C@H](CNC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)OCC	491176608	QQBFFDUJQLBPCU-CRMJKIRDSA-N	318.377	1.423	50	20	DDGD	
CCc1cc(C(=O)NNc2cccc(Br)n2)n(C)n1	823479532	KWOCKBHJIGRULL-UHFFFAOYSA-N	324.182	1.897	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CC1(NC(=O)OC(C)(C)C)CCC1	823951957	OAJPSZBLVVWFCS-NSHDSACASA-N	315.414	1.168	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC[C@H](CO)CC1	491005899	CLHKYECCLLOXCV-GWQWUEFDSA-N	300.358	1.920	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)C[C@@H]1Br	907067699	JBBPDXWMLKXNQB-CZXHOFHRSA-N	310.191	1.934	50	20	DDGD	
Cc1ccc([C@H](C)NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)s1	825890418	DAMJLRTWGZQWPQ-DCAQKATOSA-N	311.407	1.873	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)NNC(=O)C(C)(C)C	496448662	DWPJXKXAZMPHFC-UWVGGRQHSA-N	315.414	1.729	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)NNC(=O)C1CC1	494093417	AQLDLKDYDLNSBD-QMMMGPOBSA-N	321.324	1.092	50	20	DDGD	
CCOC(=O)C[C@H](C)CNC(=O)/C(C#N)=C\c1cnn(C)c1	491174722	IQXXBNMDPHRMEN-RYPVXOHGSA-N	304.350	1.033	50	20	DDGD	
O=C(/C=C\c1ccc2[nH]ccc2c1)NNC(=O)Cc1cc[nH]n1	492439475	KYMPJNJENSYLFB-RQOWECAXSA-N	309.329	1.294	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCc1ccccc1Br	823971560	WIRMINVFJIFTRQ-SNVBAGLBSA-N	315.211	1.726	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCc2c(F)cccc2C1	827280920	FIXTYENFAGNSDB-CMPLNLGQSA-N	321.352	1.350	50	20	DDGD	
CCCNC(=O)NNC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F	823952218	YDVSXGDVKYBOHL-UHFFFAOYSA-N	316.264	1.535	50	20	DDGD	
COC[C@@H](C)OC(=O)/C(C#N)=C\c1ccc(-c2nn[nH]n2)s1	821682668	LHQZKNJYMSSOJD-CPJBWDMUSA-N	319.346	1.413	50	20	DDGD	
COCCOCCCCNC(=O)/C(C#N)=C\c1ccc(O)cc1	491133261	OVPRUQKRQXQHMD-QINSGFPZSA-N	318.373	1.859	50	20	DDGD	
COCC1(c2nc(-c3ccc(B(O)O)cc3)no2)CCCCC1	585051598	JVQORFYPHLBEMM-UHFFFAOYSA-N	316.166	1.265	50	20	DDGD	
CC(C)OC(=O)[C@H](C)CNC(=O)/C(C#N)=C/c1cnn(C)c1	491174683	IMQMODZAPSHCBC-MYMMUUHESA-N	304.350	1.031	50	20	DDGD	
CC1CCN(CCNC(=O)/C(C#N)=C/c2cnn(C)c2)CC1	491087261	WPNSPWHTJJIPLG-OQLLNIDSSA-N	301.394	1.175	50	20	DDGD	
C[C@@H](c1ccccc1)N1CC[C@H](NCc2ccc(B(O)O)cc2)C1	585022755	YJLSWVDBWYNQSO-KXBFYZLASA-N	324.233	1.292	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)c1	837316100	HDJBRDMRRIGYGU-GDLCADMTSA-N	315.373	1.129	50	20	DDGD	
COC(=O)c1cc(C(=O)NNC(=S)NC(C)(C)C)ccc1C	900001528	QVTYQJPXNANBKS-UHFFFAOYSA-N	323.418	1.689	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1	836191390	DIKXYHRHTUNDHF-BYNSBNAKSA-N	313.357	1.235	50	20	DDGD	
CCn1nc(C2CC2)cc1C(=O)NNC(=O)Cc1cccnc1	906569707	KOPDQFKNHRLAFR-UHFFFAOYSA-N	313.361	1.179	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc(F)c(F)c1F	831057296	FSVSDDDSQBUKFX-BQBZGAKWSA-N	317.267	1.682	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)[C@H]2CCCCO2)[nH]c1C	834986757	QOPCNBXRWDHOPD-CYBMUJFWSA-N	307.350	1.519	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)nn1[C@H](C)C1CC1	833243773	XHWUAMGHOPZFNT-RISCZKNCSA-N	320.393	1.493	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc2c(c1)CCC2	901965288	AIRDBCUFDRJBJY-UHFFFAOYSA-N	306.387	1.288	50	20	DDGD	
O=C(CN1CC[C@@H](c2ccccc2F)C1)NNC(=O)C1CC1	733198508	IIUDZWQOOUECCC-GFCCVEGCSA-N	305.353	1.172	50	20	DDGD	
COc1ccc([C@H](C)[C@@H](C)NCc2cccc(B(O)O)c2)cc1	585025720	AWXFDKAJXRQQNE-ZIAGYGMSSA-N	313.206	1.657	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)Nc2ccc3c(c2)OCO3)CC1	836341432	UYTUTIPRQMNQEA-UHFFFAOYSA-N	320.349	1.941	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCc2cccc(Cl)c2C1	839172392	OCNPCFMGMHDJLT-JTQLQIEISA-N	309.797	1.644	50	20	DDGD	
COC1([C@H](C)NCC(=O)NNC(=O)c2ccc(F)cc2)CCC1	839661478	WISKEOXJXBZJFD-NSHDSACASA-N	323.368	1.134	50	20	DDGD	
CCc1cccc2c1NC(=O)C2=NNC(=O)[C@@H]1CCCCO1	834990538	XXBGFJRUTLQSDB-LBPRGKRZSA-N	301.346	1.591	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)CC1CCOCC1	735331730	PIOICEZYLFJJRI-UHFFFAOYSA-N	312.391	1.350	50	20	DDGD	
O=C(NN=C1CCC[C@@H]1c1ccccc1)[C@H]1CCS(=O)(=O)C1	732527908	ACLFMBIZOPQNQP-UONOGXRCSA-N	320.414	1.861	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C)c2c1CCC2	838100912	MGZFJIMOIYJBEB-NSHDSACASA-N	318.373	1.586	50	20	DDGD	
CN(C)C[C@](C)(C=NNC(=O)c1cnccn1)c1ccccc1	834939282	XHQPXSLMGOTCDF-KRWDZBQOSA-N	311.389	1.712	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cnn3c2CCC3)c(F)c1	837207576	XYQATBWHRSXPDE-UHFFFAOYSA-N	318.308	1.512	50	20	DDGD	
CC(C)[C@@]1(C)C[C@H]1NC(=O)NNC(=O)COCc1ccccc1	838763845	LTRBSHRIMLNASH-RHSMWYFYSA-N	319.405	1.968	50	20	DDGD	
CCNc1nc(C(=O)NNC(=S)NCCSC)cs1	831575653	SBXKSZBBVVLSBF-UHFFFAOYSA-N	319.481	1.047	50	20	DDGD	
Cc1ccc(C(=O)NN(C)C[C@@H](C)O)c(Br)c1	910160604	LTHSKKDINBTBDU-SECBINFHSA-N	301.184	1.715	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@H]2CCCN2C)cc1	748556474	WXZODYNNGAHGMO-CYBMUJFWSA-N	322.434	1.497	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H]1Cc2cc(F)ccc2O1	740813952	BRYZUSFXAMEHGQ-OAHLLOKOSA-N	314.316	1.899	50	20	DDGD	
CC(=NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)c1cc(C(=O)O)cs1	844610132	ZOMHPFHEPCWFHU-OUAUKWLOSA-N	308.359	1.854	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2cc(C(N)=O)cs2)o1	746525723	OZTSKSGOGSXTDC-UHFFFAOYSA-N	319.346	1.587	50	20	DDGD	
O=C(NNc1ccc(Cl)c(F)c1)[C@H]1CCCS(=O)(=O)C1	845858233	OYAFSGHESMUZAK-QMMMGPOBSA-N	320.773	1.747	50	20	DDGD	
COc1cc(C(=O)NNc2ncnc(Cl)c2C(C)C)nn1C	840545327	DSZYPDNSWZUUJF-UHFFFAOYSA-N	324.772	1.752	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1	910165477	LCGLTDXJRFHRIJ-SNVBAGLBSA-N	323.780	1.881	50	20	DDGD	
Cc1cc(NNC(=O)c2scc3c2OCCO3)nc(C)n1	848370836	BEDMVVNYVSMQLX-UHFFFAOYSA-N	306.347	1.683	50	20	DDGD	
CCc1cccc2c(C=NNC(=O)C(=O)NC(C)C)c[nH]c12	744812104	GLIGJAOVDQZYCT-UHFFFAOYSA-N	300.362	1.705	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1ccc(C(C)=O)cc1OC	749855189	CEIJEBSGFARMKE-JTQLQIEISA-N	324.402	1.936	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(Cl)nc(N)n1)C(=O)OC(C)(C)C	840415478	ILKROUHCCGCMDG-LURJTMIESA-N	315.761	1.133	50	20	DDGD	
CC(C)=CCC[C@@H](C)CC(=O)NNC(=O)N1CCN(C)CC1	844136747	JCMAUKXFDORIAX-CQSZACIVSA-N	310.442	1.747	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2ccc(-n3cncn3)nc2)c1	748030880	XOYOCNINLDEDSU-UHFFFAOYSA-N	305.301	1.291	50	20	DDGD	
CCn1ccc(CC(=O)NNC(=O)CCc2ccccc2)n1	844360010	DNDKOQFFJHKNKQ-UHFFFAOYSA-N	300.362	1.226	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1snc(Cl)c1Cl	845300211	SHQINGJLXQKMMN-UHFFFAOYSA-N	309.178	1.804	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)[C@H]2Cc3ccccc3O2)cc1	748149146	UHEIMDITSCWISN-OAHLLOKOSA-N	310.309	1.839	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNc1cncc(Cl)n1)C(=O)O	848592861	PWQLIKWTEWZQAJ-ZETCQYMHSA-N	301.734	1.113	50	20	DDGD	
Cc1cc(C=NNC(=O)C(N)=O)c(C)n1-c1ccc2c(c1)CCC2	744575192	IFQFHICCXZEXQG-UHFFFAOYSA-N	324.384	1.518	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)CCc1ccccc1)[C@@H]1CCOC1	743654906	ROJVSKDKGSHOCW-TZMCWYRMSA-N	305.378	1.375	50	20	DDGD	
C[C@H](OCc1ccccc1)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843648830	ZMPFMQCEWUXMOU-SGMGOOAPSA-N	306.362	1.164	50	20	DDGD	
C[C@H](OC[C@H]1CCCO1)C(=O)NNC(=O)NC1CCCCC1	921020577	VXJICCTYAUQCSC-WCQYABFASA-N	313.398	1.234	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H]1CCCS1(=O)=O	846846577	BLNBLCIKTGNSKD-LLVKDONJSA-N	315.303	1.086	50	20	DDGD	
CCOc1cc2c(cc1NC(=O)NNC(=O)COC)O[C@@H](C)C2	755574875	UXIDIWOCTAHZTG-VIFPVBQESA-N	323.349	1.208	50	20	DDGD	
COc1ncc(C(=O)NNc2cc(C(F)(F)F)ccn2)cn1	857514041	PLOHKCOAKQEQSY-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)c1cn[nH]c1	757727609	IJHUUBJDAFKBFK-QMMMGPOBSA-N	318.293	1.023	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCc2cnc(C)cn2)c1	858528953	HPLURLKUZFWJQF-UHFFFAOYSA-N	319.390	1.342	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C(C)(C)SC)cc1	856791291	LEIYUBXRKAYYNM-UHFFFAOYSA-N	311.407	1.396	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@]1(C)CC(c2ccccc2)=NO1	856985568	GYQFZPUUIGVOEV-MRXNPFEDSA-N	303.362	1.763	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(F)c(C(=O)OC)c1	756057280	UHUKZJVSTUGZNM-QMMMGPOBSA-N	311.313	1.811	50	20	DDGD	
C[C@H](OCC1CC1)C(=O)NN=c1sc2ccccc2n1C	920807228	APSDWDKQTPFAKS-JTQLQIEISA-N	305.403	1.987	50	20	DDGD	
CCCn1nccc1C=NNC(=O)c1ccnc(N(C)C)c1	853305525	FADDPTPXVRFLCH-UHFFFAOYSA-N	300.366	1.518	50	20	DDGD	
CO[C@@H]1CCN(C(=O)NNC(=O)c2cccc(F)n2)[C@@H](C)C1	852709836	FWBHSPIODUOJBL-VHSXEESVSA-N	310.329	1.074	50	20	DDGD	
COC(=O)c1csc(NC(=O)NNC(=O)c2cccn2C)c1	757680308	OECDSQPXBVIFHF-UHFFFAOYSA-N	322.346	1.340	50	20	DDGD	
C[C@@]1(CNC(=O)c2cccc(C(N)=O)c2)C[C@H]1Br	857397616	HUKQFJASAXGDSY-MFKMUULPSA-N	311.179	1.689	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)CO)c(C(F)(F)F)c1	756228246	QHLVDRJLNYCXCI-UHFFFAOYSA-N	321.255	1.249	50	20	DDGD	
CO[C@@H]1COC[C@H]1NC(=O)NNc1ccc(Cl)cc1F	923033608	JLZVXUXNDWKWFI-GHMZBOCLSA-N	303.721	1.519	50	20	DDGD	
C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@@]1(C)C[C@H]1Br	857404316	TZUALDIRKMMGDJ-IGJMFERPSA-N	319.243	1.827	50	20	DDGD	
Cc1ccc(C(=O)NN=C2CCS(=O)(=O)c3ccccc32)o1	752173890	BIZUKCVDSVTKCX-UHFFFAOYSA-N	318.354	1.900	50	20	DDGD	
COc1cccc(OC)c1C(=O)NNC(=O)c1ccccc1F	859405310	PEYMINIGNRIYDC-UHFFFAOYSA-N	318.304	1.918	50	20	DDGD	
CCCNC(=O)NNC(=O)C(F)(F)c1c(F)cccc1F	756946915	GWUTTYQUHSIFDR-UHFFFAOYSA-N	307.247	1.797	50	20	DDGD	
CC[C@H]1COCC1=NNC(=O)CCCNC(=O)OC(C)(C)C	853326388	YHJGBFIVFOABSF-NSHDSACASA-N	313.398	1.820	50	20	DDGD	
COC(=O)c1ccccc1CC(=O)NNC(=O)CC(F)(F)F	855001027	SRLNLBODKHRUGV-UHFFFAOYSA-N	318.251	1.116	50	20	DDGD	
N#CSCCCNC(=O)c1ccc(S(=O)(=O)C2CC2)cc1	854358813	FOYDCHFYOAWHDZ-UHFFFAOYSA-N	324.427	1.957	50	20	DDGD	
C#C[C@H](CC)NC(=O)NNC(=O)c1cc(OC)cc(OC)c1	753272049	GWSJIBDVWRENFC-LLVKDONJSA-N	305.334	1.060	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NC[C@@]1(C)C[C@@H]1Br	857398467	RJDMONYUBOAHTR-JOYOIKCWSA-N	321.215	1.755	50	20	DDGD	
C[C@H]1CN(C)CC1=NNC(=O)c1nn(-c2ccccc2)cc1O	752162930	JPBZDBCHGLWSML-NSHDSACASA-N	313.361	1.245	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cc(F)c(F)c(O)c1F	755014950	SEHWEAFVMMVSNI-UHFFFAOYSA-N	302.252	1.761	50	20	DDGD	
COC[C@@]1(CO)CCN(C[C@H](CBr)C2CC2)C1	859326362	MGRARPBASJUWJM-STQMWFEESA-N	306.244	1.738	50	20	DDGD	
CCCN(CC(=O)NNC(=O)c1cccc(C#N)c1)CC(C)C	756502547	CRTYCIALOMKJHC-UHFFFAOYSA-N	316.405	1.687	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccn(-c2ccc(Cl)cc2)n1	756952763	AZAWLFGLTYNDHV-UHFFFAOYSA-N	307.741	1.442	50	20	DDGD	
C[C@]1(CNC(=O)NCCCn2ccnc2)C[C@H]1Br	856717919	HHSQVDNVJPXLSD-ZYHUDNBSSA-N	315.215	1.746	50	20	DDGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCC2(C1)OCCO2	750043717	XBKATUKKODILKU-LNKIKWGQSA-N	301.302	1.908	50	20	DDGD	
Cc1cnc2nc(C(=O)NC[C@@]3(C)C[C@H]3Br)nn2c1	857408395	VVNIUXKOSLYPAC-PRHODGIISA-N	324.182	1.336	50	20	DDGD	
Cc1ccnc(NNC(=O)COc2ccc(C(N)=O)cc2)c1	755847235	ONGVPWGGVFBGHI-UHFFFAOYSA-N	300.318	1.011	50	20	DDGD	
CC(C)CN(C)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	852590358	LAAZEHICUPTOAQ-UHFFFAOYSA-N	314.430	1.258	50	20	DDGD	
CCO[C@@H]1COCC[C@@H]1NC(=O)NNc1ccc(C)c(F)c1	853989502	ZZJUJNPFLIZVFT-UONOGXRCSA-N	311.357	1.954	50	20	DDGD	
C[C@@H]1Cc2cc(NC(=O)NNC(=O)[C@H]3CCCCO3)ccc2O1	933145979	MGNUISNGBSESER-QMTHXVAHSA-N	319.361	1.732	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H](c2cccnc2)C(C)C)n[nH]1	869016389	KJIJVQZCJWBMGV-HNNXBMFYSA-N	315.377	1.243	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc(N2CCNC2=O)cc1)C(F)(F)F	862306849	PWMPSDQTNSAZAK-MRVPVSSYSA-N	316.283	1.401	50	20	DDGD	
COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NCC(Cl)Cl	867470599	RAKCAYGWNAPNGE-HTQZYQBOSA-N	318.222	1.441	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCOC[C@@]12CCOC2	867231569	YBZCNZCLFZJHGT-LBPRGKRZSA-N	311.831	1.073	50	20	DDGD	
C[C@H](NNC(=O)CCNC(=O)c1ccc(F)cc1)C(F)(F)F	862309423	PPPFFORUGJNZIG-QMMMGPOBSA-N	321.274	1.517	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccc(F)cc2)c(C)nn1	767191454	FAYJYVOCEYWBIR-UHFFFAOYSA-N	318.308	1.073	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)Cc2cc(C)[nH]n2)[C@H](C)C1	761251387	CMZAVYXNUYUEDS-ZYHUDNBSSA-N	320.393	1.732	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1cnn2cccnc12	765992222	BYHYFQCNUNSXTN-UHFFFAOYSA-N	305.301	1.429	50	20	DDGD	
Cc1nc(C(C)(C)C)nc(O)c1C(=O)NN[C@@H](C)C(F)(F)F	862311570	OVDPXPUNQLZQBU-ZETCQYMHSA-N	320.315	1.973	50	20	DDGD	
C[C@H](C(=O)NNc1ncc(F)cn1)n1cnc2ccccc21	760914400	BNJMKIXSVMLUBG-SECBINFHSA-N	300.297	1.670	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=S)Nc2ccccn2)s1	768581653	UIVGOAKHHQXVMQ-UHFFFAOYSA-N	307.404	1.786	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1cnc(C2CC2)o1	863105686	XNLBDAPGABCEIP-UHFFFAOYSA-N	308.338	1.527	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CCC(C)CC1	862460420	GILIQOBEKRHHMS-FIYWTHMPSA-N	309.410	1.265	50	20	DDGD	
Cc1cc(C)c(/C=C\C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1C	862450913	DHZORRCATQBRLS-SDQPKGBYSA-N	315.373	1.051	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12	762966616	SZXKKCMCIWXLQP-UHFFFAOYSA-N	305.294	1.429	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=S)NCc2ccon2)cc1	764437027	BXFHHKRMKNUUPJ-UHFFFAOYSA-N	320.374	1.057	50	20	DDGD	
Cc1cc(C)cc(NC(=O)C(=O)NNC(=O)C2CCCC2)c1	764066347	KSIFJHLHJYHJEZ-UHFFFAOYSA-N	303.362	1.580	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1c[nH]c2ccc(C#N)cc12	760261164	ZRBCXIIKYMXVFG-NSHDSACASA-N	314.345	1.541	50	20	DDGD	
CC[C@H](C(=O)NNc1nncc(N)c1Cl)N(CC)CC	1116298322	VZMLNJNLWWJDTJ-SECBINFHSA-N	300.794	1.276	50	20	DDGD	
COCCC1(C(=O)NNC(=O)c2nc3ccccc3s2)CC1	874914547	ZDQOEAGHICZHOV-UHFFFAOYSA-N	319.386	1.874	50	20	DDGD	
COCC1(C(=O)NNC(=O)CSc2ccccc2OC)CC1	778946071	BNBKBJJQFDNJNZ-UHFFFAOYSA-N	324.402	1.361	50	20	DDGD	
COc1ccccc1C1(C(=O)NNC(=S)NC(C)C)CC1	1115930387	WVTYRGMFGBCQBH-UHFFFAOYSA-N	307.419	1.631	50	20	DDGD	
CS[C@@H](C)CCC(=O)NNC(=O)COc1ccc(C#N)cc1	773182600	PYKVEXBRVMWOMB-NSHDSACASA-N	321.402	1.616	50	20	DDGD	
C[C@@H]1CN(C2CC2)CC1=NNC(=O)c1ccc(C(=O)O)cc1	872410878	QEPSEWNSOCKMJH-SNVBAGLBSA-N	301.346	1.585	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccnc1N1CCCC1	779364554	QSSZDLFKJMCUBY-UHFFFAOYSA-N	306.370	1.380	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)C2(CN(C)C)CC2)c1	873756921	SZSICVXNSSJOFP-UHFFFAOYSA-N	320.462	1.963	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCCOCC(C)C)cc1	1115853283	UJEHVDUZSUGWIT-UHFFFAOYSA-N	323.393	1.702	50	20	DDGD	
Cn1cc(-c2nc(C(=O)NNc3ccccn3)cs2)cn1	777472878	GMBQJMQHSGSPPX-UHFFFAOYSA-N	300.347	1.696	50	20	DDGD	
Cc1nnc2n1C[C@H](C(=O)NNc1nccnc1C(C)C)CC2	772848878	RBFMEPWRVMYWRM-LLVKDONJSA-N	315.381	1.206	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1c(C)cc(C)cc1C	877903713	CCHZROBMPOJOGE-UHFFFAOYSA-N	309.366	1.428	50	20	DDGD	
C[C@H]1C(=O)N(C)CCN1C(=O)[C@H](Br)C(C)(C)C	779275743	HCDLHTSVEIAIDU-IUCAKERBSA-N	305.216	1.485	50	20	DDGD	
CCCN(CC)C(=O)c1ccc(C(=O)NN(C)C(N)=O)cc1	778415119	QCPUHNWPJWDRFH-UHFFFAOYSA-N	306.366	1.214	50	20	DDGD	
CCc1nnsc1C(=O)NNc1cccc(F)c1C(=O)OC	773637217	CAURVYGPIAEOPG-UHFFFAOYSA-N	324.337	1.783	50	20	DDGD	
COC(=O)c1ccc2c(c1)CN(S(=O)(=O)CCCCl)C2	881866775	XCWQVLDMKRRQSL-UHFFFAOYSA-N	317.794	1.748	50	20	DDGD	
N#Cc1ccc(NNC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)nc1	888665920	IUWSEJHSWRWRQK-MRVWCRGKSA-N	313.361	1.537	50	20	DDGD	
CNC(=O)c1ccc(C(=O)NNc2nccnc2C(C)C)cn1	772890443	GUZBLBBXJVALOQ-UHFFFAOYSA-N	314.349	1.112	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)n1cc(-c2sccc2C)nn1	881294020	WMDXAQSQHDVYCK-VIFPVBQESA-N	307.379	1.433	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2cc(Cl)ccc2O)CCCOC1	781417007	ULPYFYCKCKTKKA-CQSZACIVSA-N	312.753	1.623	50	20	DDGD	
Cc1ccn2c(=O)cc(COC(=O)/C(C#N)=C\C3CC3)nc2c1	786678571	QZQDSTRGZWLJHF-QPEQYQDCSA-N	309.325	1.906	50	20	DDGD	
O=C(NCc1cccc2[nH]ccc12)NNC(=O)C1CCOCC1	883761554	YWNJWHNZDDMKNY-UHFFFAOYSA-N	316.361	1.425	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12	883139789	ADDQDKAZTGEROL-CAEXGNQWSA-N	321.421	1.568	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NC[C@H]2CCC=CO2)c1	780759139	ZFZZDDRVUNVDSX-CYBMUJFWSA-N	300.318	1.195	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1c1ccccc1)c1ccccn1	786588747	WIXXGDJFIGWXBM-HNNXBMFYSA-N	310.357	1.512	50	20	DDGD	
COCC(=NNC(=O)c1ccc(C#N)cc1)C1CCOCC1	780213473	HHGMITCUXKLYHO-UHFFFAOYSA-N	301.346	1.717	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccn(Cc2ccncc2)n1	782571602	DZQGPYUHQOJGOK-UHFFFAOYSA-N	302.338	1.135	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnn(-c2ccccc2F)c1	780709286	OZBFLAMIVLUXPO-UHFFFAOYSA-N	305.313	1.318	50	20	DDGD	
CC[C@H](C(=O)NNc1nc2ccccc2c(=O)n1CC)[C@H](C)O	789952549	CIVJQPRNZWXVCX-QWRGUYRKSA-N	318.377	1.267	50	20	DDGD	
COC(=O)[C@H](CC(C)C)NC(=O)COC(=O)/C(C#N)=C/C1CC1	786665829	JAOOCFOBVHADMS-WHGQRRHOSA-N	322.361	1.093	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(OC)c(O)c(OC)c2)nc1	781536027	NVBYOYPXQSXCLL-UHFFFAOYSA-N	319.317	1.570	50	20	DDGD	
O=C(CCOC[C@H]1CCCO1)NNc1ncncc1Cl	781836604	PRIQXINAGXXXPV-SECBINFHSA-N	300.746	1.159	50	20	DDGD	
C[C@H](CNC(=O)NNc1ncncc1Cl)Cn1cccn1	780973070	BLUURFMIUOPRGT-SECBINFHSA-N	309.761	1.289	50	20	DDGD	
Cc1nscc1C(=O)NNC(=O)COc1ccc(F)cc1	781237309	SLDDCMORBQTKPS-UHFFFAOYSA-N	309.322	1.431	50	20	DDGD	
CCC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1cccc(C)c1	794905781	ZIXGDJGCCKRGMY-NSHDSACASA-N	311.407	1.163	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2cccnc2F)c1	791195129	JCBBFOQHOMOKAI-UHFFFAOYSA-N	302.309	1.362	50	20	DDGD	
Cc1nc(O)c(Br)cc1C(=O)NNC(=O)C(C)C	794612451	GGHGLZAHTOXLGL-UHFFFAOYSA-N	316.155	1.275	50	20	DDGD	
Cc1cc(CC(=O)Nc2cccc(NC(=O)NN(C)C)c2)n[nH]1	791276605	AJXCGACVXWQGIQ-UHFFFAOYSA-N	316.365	1.497	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	794897945	BSHJQYLFNWLWCU-INIZCTEOSA-N	303.362	1.673	50	20	DDGD	
CC(C)CCOc1ccc(C(=O)NNC(=O)[C@H](O)C(C)C)cc1	794768810	XQZNGHZOZMRYBO-OAHLLOKOSA-N	322.405	1.889	50	20	DDGD	
N#C/C(=C/c1cc(Cl)c2c(c1)OCCO2)S(N)(=O)=O	798232579	XRXISMGFZVZXSD-BAQGIRSFSA-N	300.723	1.264	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1ccnn1CC1CC1	792378001	HNAOZYNGBKNWEM-UHFFFAOYSA-N	314.349	1.078	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)CCSc1nnnn1C	799755376	CYRYMTULMZVNDA-UHFFFAOYSA-N	320.422	1.706	50	20	DDGD	
COC(=O)c1coc(C=NNC(=O)c2ccc(O)c(O)c2)c1	794558913	LLOZHWNJQRCCAV-UHFFFAOYSA-N	304.258	1.241	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H](c2cccnc2)C(C)C)n1	797826291	ODWGVNQYJGNMBV-CYBMUJFWSA-N	301.350	1.763	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1OC)[C@H](C)O	790070306	NTFCLZXKVMSQMP-WCBMZHEXSA-N	314.769	1.517	50	20	DDGD	
Cc1cccnc1NNC(=O)NC[C@H](C)NC(=O)OC(C)(C)C	793132802	UGFWYELNTHPQMT-NSHDSACASA-N	323.397	1.929	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1cccc(OCCC(=O)O)c1	794957787	GZWACIMNZSMLKX-UKTHLTGXSA-N	324.358	1.296	50	20	DDGD	
O=C(NN=Cc1ccc2occc2c1)[C@@H]1CCS(=O)(=O)C1	794889114	PBAQBDULWOMEPI-GFCCVEGCSA-N	306.343	1.318	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCOC[C@@H]2CC(C)C)n1	793219848	HBICWJHSKPWVPS-ZDUSSCGKSA-N	320.393	1.491	50	20	DDGD	
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NNC(=O)CC(F)(F)F	798117962	QUHLJYKIJYGWMF-PSASIEDQSA-N	309.288	1.250	50	20	DDGD	
COc1c(C(=O)NNC(=O)c2ccccc2Cl)c(C)nn1C	1318439180	NDGKSWZRFYVHNZ-UHFFFAOYSA-N	322.752	1.465	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCC2CCOCC2)cc1	1318604527	NTFYECKDQZXARR-UHFFFAOYSA-N	321.377	1.456	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H](C)[C@@H](OC)C2CC2)cc1	1325485556	QAGAWSANBJDGIB-IINYFYTJSA-N	321.377	1.453	50	20	DDGD	
CC[C@H](C)CN(C)C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1328548082	QZCVLHYMGYDLSU-OUJBWJOFSA-N	319.243	1.781	50	20	DDGD	
Cn1ccc(NNC(=O)c2ccc3c(c2)NC(=O)CS3)n1	1322273737	QLMMQHIYENGAGD-UHFFFAOYSA-N	303.347	1.221	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1nccc(Cl)c1F	1321533947	IXHZFJURTIKINP-UHFFFAOYSA-N	308.700	1.273	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)C[C@@H]2C)cc1	1323477135	RRSXNBBBFRCAHU-IINYFYTJSA-N	304.346	1.462	50	20	DDGD	
COCc1nocc1C(=O)NNc1cc(F)c(F)cc1F	1324048107	XXXCBJYATFMPJI-UHFFFAOYSA-N	301.224	1.995	50	20	DDGD	
O=C(NCCc1ccc(Cl)cc1)NNC(=O)C1CCNCC1	1325350912	WPQXKNZFBWANCB-UHFFFAOYSA-N	324.812	1.213	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCc2ccc(C#N)cc21	1320212833	SUJUMCAPLXKYTD-GFCCVEGCSA-N	314.389	1.503	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1	1339879054	JXHHTFXAHKDWNJ-UHFFFAOYSA-N	317.257	1.478	50	20	DDGD	
CN(C)C1(CNC(=O)NNc2ccc(C(C)(C)C)nn2)CC1	1333521110	XOHWKEPQQORVMA-UHFFFAOYSA-N	306.414	1.494	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@H]1CCOC(C)(C)C1	1336848143	JDNJCLUBOKNYFM-NSHDSACASA-N	317.455	1.066	50	20	DDGD	
Nc1cnnc(NNC(=O)N[C@@H]2CCC[C@@H](F)C2)c1Cl	1345742962	VTVAAVPTICZNGZ-RNFRBKRXSA-N	302.741	1.619	50	20	DDGD	
O=C(CCl)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1	1341509637	KRLZNLMOJAHSRQ-UHFFFAOYSA-N	301.173	1.750	50	20	DDGD	
CC(F)(F)C1(C(=O)NNc2ccccc2S(C)(=O)=O)CC1	1350923139	GHSSWOXMNBHEJC-UHFFFAOYSA-N	318.345	1.969	50	20	DDGD	
N#Cc1ccc(CC(=O)NNc2ccc(CC(=O)O)cc2)cn1	1601098873	ZJDHMNCBQCDRGM-UHFFFAOYSA-N	310.313	1.266	50	20	DDGD	
Cc1cc(C(=O)O)ccc1NC(=O)NNC(=O)c1ccncc1	1607597316	VNUBJIJEWLWNQM-UHFFFAOYSA-N	314.301	1.555	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H](C(=O)NNc2c(F)cc(F)cc2F)O1	1608804385	SUXZLAFLILGQCT-BDAKNGLRSA-N	304.224	1.179	50	20	DDGD	
O=C(O)COCC(=O)Oc1ccc([N+](=O)[O-])c2ncccc12	1608757128	ZKSJXQADKIKQJN-UHFFFAOYSA-N	306.230	1.150	50	20	DDGD	
Cn1ncc(Cl)c1C(=O)NNc1ccc(CC(=O)O)cc1	1601028073	UQEYBAUEHKLPEJ-UHFFFAOYSA-N	308.725	1.458	50	20	DDGD	
CSSCCNC(=O)COCc1ocnc1C(=O)O	1607400887	SQRUXUVCWVVQTR-UHFFFAOYSA-N	306.365	1.017	50	20	DDGD	
Cc1nnc(NNC(=O)Nc2cc(C(=O)O)ccc2F)n1C	1600798729	XBOOQLDSRAVLKC-UHFFFAOYSA-N	308.273	1.109	50	20	DDGD	
O=C(NN=C[C@@H]1CCc2ccccc21)[C@H]1CN2CCC[C@H]2CO1	1549314981	AKCOIXVCRGXHSF-YQQAZPJKSA-N	313.401	1.682	50	20	DDGD	
CCOc1ccccc1C=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549315385	MXQNKGFHMDLIFM-GDBMZVCRSA-N	317.389	1.399	50	20	DDGD	
CN1CCC(=NNC(=O)[C@H]2CCCO[C@@H]2c2ccccc2)C1=O	1549084327	RJUJWXDVFOIZDT-DZGCQCFKSA-N	315.373	1.489	50	20	DDGD	
CC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COC)C2	1800069674	JQYPYQJOHHDAPG-USZNOCQGSA-N	302.802	1.288	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2C1)c1ccccc1O	17575930	RUHZRBKNMLCBRO-GFCCVEGCSA-N	312.325	1.405	50	20	DDGD	
CNC[C@H](O)[C@@H](C)C(=O)NNc1cccc(Cl)c1Cl	1578644145	GFKLVJACBVRKML-XCBNKYQSSA-N	306.193	1.653	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@H](CN)c1ccccc1)C1CC1	1576233889	LXXVTYLWVZVBEQ-ZWNOBZJWSA-N	306.435	1.023	50	20	DDGD	
C=C(C)COCCNC(=O)NNc1ccc(C(=O)O)c(F)c1	1588570032	STHRONONDBWAAJ-UHFFFAOYSA-N	311.313	1.743	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2ccn(C)c2)C1	1842345900	HXDBDMALNBISQO-CYBMUJFWSA-N	323.824	1.860	50	20	DDGD	
O=C(O)COc1ccc(C(=O)NNc2ccc(F)cn2)cc1	1595119207	PCJWICNMLCUGTF-UHFFFAOYSA-N	305.265	1.441	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(C)c(C(=O)O)o2)n1	1599394745	YPPDJHSWJOILIF-UHFFFAOYSA-N	306.278	1.150	50	20	DDGD	
CCCC[C@H](NNC(=O)C(=O)Nc1ccc(C)c(C)c1)C(=O)O	1595641078	PUKBCDHBGFSTHB-ZDUSSCGKSA-N	321.377	1.506	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CC=C(C(=O)O)C2)c1	1598999527	KLYVAPFTVKUUAD-NSHDSACASA-N	319.317	1.273	50	20	DDGD	
Cc1cccc(C)c1OCC(=O)NNc1nnc(C)c(O)n1	11547843	NRBOJOZDOBCCCK-UHFFFAOYSA-N	303.322	1.025	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)OC(C)(C)C)cc1[N+](=O)[O-]	17398382	MLKQNWLLTRRXQY-UHFFFAOYSA-N	310.310	1.806	50	20	DDGD	
C[C@H]1CC[C@@H](CC(=O)NNC(=O)COc2ccc(C#N)cc2)C1	164246268	OLWHOOYIKUIUPG-GXTWGEPZSA-N	315.373	1.911	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)CCc1ccccc1	156113059	FNRPCHPSGMRLDB-UHFFFAOYSA-N	305.378	1.071	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cn(C)c2ccccc12	154054309	ZYPBQJCOQICSAA-UHFFFAOYSA-N	322.459	1.650	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H]2C[C@@H]3CC[C@@H]2O3)n1	155812900	AZBZZFCZHQAFSF-TUAOUCFPSA-N	305.382	1.333	50	20	DDGD	
CC(C)C[C@@H](C)CC(=O)NNc1nccc(N2CCOCC2)n1	155498134	IAIZAQQUOXYHEI-CYBMUJFWSA-N	321.425	1.829	50	20	DDGD	
CC(C)(C)S(=O)(=O)CC(=O)NNc1ccccc1[N+](=O)[O-]	156539744	YZBBSBIYOLTOQA-UHFFFAOYSA-N	315.351	1.251	50	20	DDGD	
CN1C[C@H](N(C)C[C@H](CBr)C2CC2)CCC1=O	859313907	KYEWSSGDHFUNQR-NWDGAFQWSA-N	303.244	1.960	50	20	DDGD	
O=C(O)CCC1CCN(S(=O)(=O)CBr)CC1	309789781	UFELILHNUUMWHG-UHFFFAOYSA-N	314.201	1.245	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@H](NS(=O)(=O)CCl)C1	830523919	BUTFMJOENXAYJN-VIFPVBQESA-N	312.819	1.502	50	20	DDGD	
C[C@H](Cl)C(=O)NCc1cccnc1N1CCC[C@@H](C(N)=O)C1	1887504133	KESUSXHZULJFGN-CMPLNLGQSA-N	324.812	1.027	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1OCC	496910	GNEXJVNNTRYJAY-ZDUSSCGKSA-N	322.361	1.424	50	20	DDGD	
COCC(=O)N(C)CC(=O)NNc1ccc(C(F)(F)F)cc1	179488706	PHRCWNRBCGFASL-UHFFFAOYSA-N	319.283	1.253	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccc(C#N)cn2)c(C)c1	107761006	WTMXLYASCUEAIO-UHFFFAOYSA-N	323.356	1.443	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CCOc2ccccc2)n(C)n1	60971547	WLTZUCMMKYCDNG-UHFFFAOYSA-N	317.349	1.350	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)CN(CC)CC)cc1	63697408	JYCQPCKCZLQNIN-UHFFFAOYSA-N	324.450	1.745	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1c(C)cc(C)cc1C	179862245	WCZWGIUANLBPCN-UHFFFAOYSA-N	307.394	1.521	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	119772070	WMCYPMKEBXVVGM-MEBBXXQBSA-N	312.341	1.292	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc([N+](=O)[O-])ccc2C)n1	174490776	FIYROFGWOYCAEI-UHFFFAOYSA-N	317.305	1.767	50	20	DDGD	
CCCN(CCC)C(=O)CCC(=O)NNc1cc(C)ncn1	172284059	XJACTESGRCPYOU-UHFFFAOYSA-N	307.398	1.657	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCc2ccoc2)cc1	177558068	BBYUBHQCWHOVDY-UHFFFAOYSA-N	302.330	1.747	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCc2cccc(CO)c2)cc1	171710983	QDQRYLBWHRCNOD-UHFFFAOYSA-N	324.340	1.195	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CC[C@H]3C[C@H](C)CN3C2)nc1	1346650846	YVIBIJITIAMDHH-XQQFMLRXSA-N	304.394	1.654	50	20	DDGD	
CS(=O)(=O)c1ccccc1NC(=O)NNc1ccncc1	121810274	DXBCIUJDWNRXRF-UHFFFAOYSA-N	306.347	1.634	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc(C(=O)NC2CC2)cc1	179710741	LOYWRRJMDVSAFM-UHFFFAOYSA-N	318.377	1.778	50	20	DDGD	
Cc1cncc(NC(=O)C(=O)NNc2cc(F)c(F)c(F)c2)c1	126402439	ATKLHWBWDMSIKC-UHFFFAOYSA-N	324.262	1.889	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(OCC(F)(F)F)nc1	39547655	PVHIIBMKRMXZOE-UHFFFAOYSA-N	307.228	1.414	50	20	DDGD	
COCCC1(C(=O)NNc2ccc(C(F)(F)F)nn2)CC1	124514439	IJYBYXYGLAHALG-UHFFFAOYSA-N	304.272	1.755	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C[C@@H]1COC(=O)C1)c1ccccc1	120471588	FLCOXKRKFRHXAH-AAEUAGOBSA-N	304.346	1.281	50	20	DDGD	
CCCc1ccccc1NC(=O)C(=O)NNC(=O)c1ccc[nH]1	123169764	KMZZDAHKGGLLNG-UHFFFAOYSA-N	314.345	1.367	50	20	DDGD	
CCc1cccc(NC(=O)NNC(=O)Cn2nc(C)cc2C)c1	182833245	RAPCDOVMYVVRFY-UHFFFAOYSA-N	315.377	1.915	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc2c1CCCC2)N1CCN(C)CC1	120037000	SEVTUDBPABPGOG-AWEZNQCLSA-N	316.449	1.644	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1ccc(F)cc1O	123713385	DBEHPGOVVOAZAK-UHFFFAOYSA-N	318.304	1.631	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccccc2N(C)C)[nH]n1	183547805	RCGGKSMYNAUJHO-UHFFFAOYSA-N	302.338	1.251	50	20	DDGD	
COCCc1ccccc1NC(=O)NNC(=O)c1cccn1C	189532349	RAWNSXVKVHDXMQ-UHFFFAOYSA-N	316.361	1.681	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H](C)c2cn(C)nc2C)n1	181178004	LWHCCEDLLCUIAQ-SECBINFHSA-N	304.354	1.519	50	20	DDGD	
COCCOc1cccc(/C=C/C(=O)NNC(=O)C(C)(C)C)c1	187372939	OALWTQXNGMVFDB-CMDGGOBGSA-N	320.389	1.919	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(N3CCCC3)nc2)n1	180713762	YHHWXGGQYAPTHP-UHFFFAOYSA-N	313.361	1.842	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccn(-c2ccc(F)cc2)n1	139322645	ZEHPEQFFNXIZDA-UHFFFAOYSA-N	317.324	1.365	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC2(C1)OCCO2	81348173	NMAZJHRTQSDBIO-UHFFFAOYSA-N	313.785	1.328	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)Cc1ccccc1F)[C@@H]1CCCO1	133148447	CKSIFRXJOQXOSZ-KGLIPLIRSA-N	323.368	1.656	50	20	DDGD	
Cc1cc(C)nc(NC(=O)C(=O)NNc2ncccc2Cl)c1	193780121	QSFFOELOVVBBPF-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
CCC(CC)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O	81711257	NEFHVLQDIDZCEB-UHFFFAOYSA-N	316.361	1.775	50	20	DDGD	
CNC(=O)/C(C#N)=C\c1ccc(OC(=O)C2CC2)c(OC)c1	192596599	WAIHVRMAOSEOCP-GHXNOFRVSA-N	300.314	1.664	50	20	DDGD	
O=C(CSCC(F)(F)F)NNC(=S)Nc1ccccn1	90442733	XQHMOCFHEDVJSN-UHFFFAOYSA-N	324.353	1.695	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNC(=O)CCc1ccc(OC)cc1	98109137	OZTSZLUYVWOHBC-AWEZNQCLSA-N	308.378	1.590	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)Nc1cnn(CC(F)F)c1	92765111	XGACWXOOLOIMPI-UHFFFAOYSA-N	317.687	1.740	50	20	DDGD	
CC(C)CN1CCC[C@H]1C(=O)NNC(=O)Nc1ccccc1	1347070470	XSLRLQQVSOGVOV-AWEZNQCLSA-N	304.394	1.960	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@@H](C)c1ccccc1	267189818	OHYFNLOSLDMENX-NWDGAFQWSA-N	309.366	1.130	50	20	DDGD	
CC1CC(NC(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)C1	267950506	BZIZUVTVQJBYRI-UHFFFAOYSA-N	308.294	1.043	50	20	DDGD	
CCCCC(=O)N1CSC[C@H]1C(=O)NNc1cnccn1	265221075	WXJQFTLKQGKHDR-JTQLQIEISA-N	309.395	1.011	50	20	DDGD	
COCCn1nc(C)c(NC(=O)NNC(=O)CC(C)C)c1C	273394881	KSIGQHMHGPWQKA-UHFFFAOYSA-N	311.386	1.345	50	20	DDGD	
CSSCCNC(=O)N[C@H]1CCN(c2ccccn2)C1	367415173	KVVMJCQUJZJFSU-NSHDSACASA-N	312.464	1.971	50	20	DDGD	
COc1cccc(OC)c1C(=O)NNC(=O)NC1CCCCC1	270487056	KDNIKBVSLAJQGK-UHFFFAOYSA-N	321.377	1.981	50	20	DDGD	
CC[C@@H](C)[C@@H](NC(=O)NNC(=O)c1ccc[nH]1)C(F)(F)F	278655352	NVOMMFVZGDRINE-VXNVDRBHSA-N	306.288	1.936	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H]1C[C@@]12CCOC2	373400061	VCVRRBGPWIDXFF-SUMWQHHRSA-N	318.373	1.202	50	20	DDGD	
C=C[C@](C)(CC)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	281182112	JPDBZVZKBMPFOD-QGZVFWFLSA-N	317.389	1.992	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)[C@@H]1COc2ccccc21	376287022	FOHPKXBJDYTNMD-GFCCVEGCSA-N	322.328	1.282	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1C(=O)NNC(=O)NCC(F)(F)F	281221416	MELNLGGHAUNIIN-UHFFFAOYSA-N	321.303	1.224	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCN(CC(F)(F)F)C2)o1	280291592	GREPOHYCPPKIHM-VIFPVBQESA-N	319.283	1.233	50	20	DDGD	
O=C(NNC(=O)c1ccc(C(F)(F)F)nc1)NC1CCCC1	299373617	WMNWWEQXVHFMLO-UHFFFAOYSA-N	316.283	1.987	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1[nH]cnc1C(=O)c1ccccc1	806340963	WQVVEQGCQQVVLD-UHFFFAOYSA-N	300.318	1.058	50	20	DDGD	
O=C(CSCCCO)NNC(=O)c1ccccc1Cl	298224489	KGRWGZHHGZJMAP-UHFFFAOYSA-N	302.783	1.217	50	20	DDGD	
C[C@H]1CCCN(c2cc(C(=O)NNC(=O)NC3CC3)ccn2)C1	291558748	RFXDRBMDWIPLJU-NSHDSACASA-N	317.393	1.424	50	20	DDGD	
Cc1cc(C)c(S(=O)(=O)NNC(=O)NC2CCCC2)s1	292393570	WBPOYMUPIRRYBV-UHFFFAOYSA-N	317.436	1.800	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)N=c2cc[nH]cc2)c1	802031730	IBISAOOIKWLYEI-UHFFFAOYSA-N	315.289	1.187	50	20	DDGD	
CCCOc1cccc(CC(=O)NNC(=O)[C@@H]2CCCCO2)c1	295330215	HECKCTVNHPXWQT-HNNXBMFYSA-N	320.389	1.734	50	20	DDGD	
COc1ccnc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)c1	803430300	YYDLZDNPWGTDSW-UHFFFAOYSA-N	310.313	1.689	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	295079852	WSUHUGBJZQSAST-NSHDSACASA-N	322.390	1.714	50	20	DDGD	
C[C@H](Oc1cccnc1)C(=O)NNC(=O)Nc1ccccc1	801986758	GPDRUDVTPMUDDZ-NSHDSACASA-N	300.318	1.702	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	295393085	QQOWSUBMXQEUFN-RKDXNWHRSA-N	317.267	1.743	50	20	DDGD	
C[C@@](O)(CCc1ccccc1)C(=O)NNc1ncc(F)cn1	801180745	ODSUREZIDWABNK-OAHLLOKOSA-N	304.325	1.443	50	20	DDGD	
CCC(=O)Nc1cccc(C(=O)NNC(=O)[C@@H]2CCCCO2)c1	295628733	SHXHXSOLWYKAPJ-ZDUSSCGKSA-N	319.361	1.365	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)c[nH]1	802004526	HMWBIALGAIUGLC-UHFFFAOYSA-N	322.271	1.428	50	20	DDGD	
CC[C@@H]1NCC[C@@H]1C(=O)NNc1nc(-c2ccccc2)no1	290082421	WEVKJCDVENLMKX-RYUDHWBXSA-N	301.350	1.568	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1	801885930	VLAHCVNBPFTMCB-UHFFFAOYSA-N	318.255	1.750	50	20	DDGD	
CCc1nocc1C=NNC(=O)c1ccc2c(c1)OCCO2	814788738	IFFWLTVBCZOICO-UHFFFAOYSA-N	301.302	1.772	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)COc2ccccc2F)on1	814722621	HYUJVPUQNFMFEV-UHFFFAOYSA-N	321.264	1.129	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1nc2c(s1)CCC2	814951869	ZTZGLRQPVRTUJS-UHFFFAOYSA-N	317.370	1.867	50	20	DDGD	
C[C@@]1(C(=O)NNc2ccccc2S(C)(=O)=O)CC1(F)F	817549299	JCBAXLKZEHWBTH-NSHDSACASA-N	304.318	1.579	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cncnc1-c1ccccc1	810776891	MMHHVGVFTVQLLG-UHFFFAOYSA-N	310.292	1.830	50	20	DDGD	
CC[C@H](C)NC(=O)CCNC(=O)NNc1cccc(Cl)n1	814285843	PWUIKNXWIIVEEA-VIFPVBQESA-N	313.789	1.666	50	20	DDGD	
COc1ccc(NNC(=O)CCc2ncccn2)c([N+](=O)[O-])c1	812534791	PJKQPOWNEOPWSA-UHFFFAOYSA-N	317.305	1.469	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)COc2ccccc2F)cn1	814722499	CDFFPQFJLZWEJZ-UHFFFAOYSA-N	317.324	1.211	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)CCCC2CC2)cc1	812532148	JTXLYUGRSIMJGK-UHFFFAOYSA-N	301.346	1.665	50	20	DDGD	
Cn1nnc(Br)c1C(=O)NNc1cccc(C#N)c1	810678943	GPGZNYZGOBBTGK-UHFFFAOYSA-N	321.138	1.206	50	20	DDGD	
COc1cc(NNC(=O)[C@H]2CCc3nncn3C2)ccc1Cl	816524390	DFKVSSJQWFMDEV-VIFPVBQESA-N	321.768	1.646	50	20	DDGD	
Cc1nnc(CC(=O)NNC(=O)Nc2ccc(Cl)cc2)o1	813574142	OFYABNSESUSHKQ-UHFFFAOYSA-N	309.713	1.427	50	20	DDGD	
Cn1nncc1NNC(=O)C(C)(C)Oc1cccc(Cl)c1	816770829	NOVITYYOQSIYQQ-UHFFFAOYSA-N	309.757	1.769	50	20	DDGD	
Cc1cc(C(N)=O)ccc1NC(=O)NNc1ncncc1F	814584385	KATHGXIPXDELFO-UHFFFAOYSA-N	304.285	1.172	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNC(=S)Nc1ccc(OCC)cc1	810022396	LDEXMZPHJQASHE-HNNXBMFYSA-N	323.418	1.730	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)c2cccnc2)ccnc1Cl	810294032	NFZAKOUGFLLOTJ-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
O=S(=O)(CCCCl)NCc1ccc(N2CCCC2)nc1	726868060	IFJCMIHQPVZTCI-UHFFFAOYSA-N	317.842	1.730	50	20	DDGD	
C[C@]1(C(=O)NNc2c(Cl)cccc2Cl)CCNC1=O	820969290	ONADZISVPZKZKB-LBPRGKRZSA-N	302.161	1.963	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1C[C@H]1OC(C)(C)C	827012511	ZJPIBTQPTRNJKA-DGCLKSJQSA-N	306.362	1.660	50	20	DDGD	
CC(C)N1CCC[C@@H]1C(=O)NNC(=O)c1cccc(Cl)n1	825348242	ZKRLEPQNSOOTOV-LLVKDONJSA-N	310.785	1.369	50	20	DDGD	
CCCCNC(=O)NNC(=O)C[C@@H]1COc2ccccc2O1	822777768	RDSFKLHLLTTZGX-LLVKDONJSA-N	307.350	1.347	50	20	DDGD	
O=C(NNC(=O)c1cc[nH]n1)Nc1ccc([C@@H]2CCOC2)cc1	823582890	CKKWKLPJPRSHAZ-LLVKDONJSA-N	315.333	1.380	50	20	DDGD	
COCCN(C)NC(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C	497132410	NRBPPOGWGGPFFT-MNOVXSKESA-N	303.403	1.145	50	20	DDGD	
Cc1cccc2sc(NNC(=O)C[C@@H]3CCC(=O)NC3)nc12	828358695	OCMVSPJJXCOJBP-JTQLQIEISA-N	318.402	1.964	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NC1CCC(F)(F)CC1	826802827	MYAXRPJWGMICEZ-SCZZXKLOSA-N	305.325	1.320	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1coc2ccccc12	826010869	YYCJJWZXDPKYTO-ZYHUDNBSSA-N	317.345	1.688	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CCc2cscn2)c1	728825950	XSJTWVZTHJCEDW-UHFFFAOYSA-N	300.343	1.409	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCc2cccc(O)n2)cc(C#N)n1C	490810538	AKZQUCNAHABQDD-MLPAPPSSSA-N	321.340	1.529	50	20	DDGD	
COC(=O)N(C)NC(=O)CC1CCN(CC(F)(F)F)CC1	822838092	OPAHJQPVKAGJMV-UHFFFAOYSA-N	311.304	1.380	50	20	DDGD	
CCc1c(C(=O)NNc2cccc(F)c2C(=O)OC)cnn1C	822728191	OVJDQWTTXBBTIK-UHFFFAOYSA-N	320.324	1.665	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(Cl)cc1OC	822298920	RUZYBNJVIQPACU-NEPJUHHUSA-N	324.764	1.701	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccsc1	826446005	VBBWJDNTJSSVRP-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
CCC[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)N(C)C	825224959	IBJOVMIZXJRHES-LBPRGKRZSA-N	303.370	1.040	50	20	DDGD	
CCN(CCO)NC(=O)CSc1nccc2ccccc12	823865638	WBPHBMFREQFJCB-UHFFFAOYSA-N	305.403	1.672	50	20	DDGD	
CC(C)CC(=O)N[C@@H](C(=O)NN(C)[C@@H](C)CO)c1ccccc1	823960006	UBPWEGKBKAOOLM-XJKSGUPXSA-N	321.421	1.234	50	20	DDGD	
C[C@@H]1OC(=O)N[C@@H]1C(=O)NNc1ccccc1C(F)(F)F	496712789	NXFBTNWMYQOUJE-RCOVLWMOSA-N	303.240	1.645	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1cc(C(=O)O)c(Cl)s1	901259376	RHFIZVYHQROOEK-SVRRBLITSA-N	316.766	1.975	50	20	DDGD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](B(O)O)C2)cc1	585065606	ZUUNOUKOFYKTOR-HNNXBMFYSA-N	312.178	1.783	50	20	DDGD	
C[C@@H](Cc1cccc(F)c1)NCc1ccc(B(O)O)cc1F	585027818	DKJFIMXFODHANO-NSHDSACASA-N	305.133	1.365	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(Br)ncc1Cl	495623893	CCIIEJZEYVOEIH-UHFFFAOYSA-N	322.546	1.841	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=S)NC(C2CC2)C2CC2)n1	734753868	BFGUWYDQXGXBKM-UHFFFAOYSA-N	321.450	1.184	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCOC1)c1cnn(CC2CCC2)c1	901256095	YQYXTRASTKIGKF-AWEZNQCLSA-N	304.394	1.950	50	20	DDGD	
OB(O)c1ccc(CNc2ccc(O[C@@H]3CCOC3)cc2)cc1	585011937	HNAOXXYGLRSTFQ-QGZVFWFLSA-N	313.162	1.146	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(C(=O)OC)c(C)c1	901195083	QYALQMQDCDFULP-GFCCVEGCSA-N	322.361	1.283	50	20	DDGD	
CCOC(=O)NNC(=O)Cc1cccc(N2CCCC2=O)c1	495954349	QZFMNOKOVSEZCM-UHFFFAOYSA-N	305.334	1.133	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)C2(C#N)CCOCC2)o1	731485472	MPVUXYNVEOKIJH-UHFFFAOYSA-N	303.322	1.433	50	20	DDGD	
O=C(CN1CC[C@H](c2ccco2)C1)NNC(=O)c1ccccc1	732205834	NHOUGJAOFBLXRC-AWEZNQCLSA-N	313.357	1.530	50	20	DDGD	
CCC(CC)[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1	584949662	NXVOJFWAJLIJEZ-GFCCVEGCSA-N	307.174	1.404	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc(F)cc1[N+](=O)[O-]	833247174	YZDLTGGKQNQGPO-LLVKDONJSA-N	311.269	1.064	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)[C@@H]2CCCCO2)CCc2ccccc2C1	833246701	PVLHJKMMRQWMHC-YJBOKZPZSA-N	316.401	1.898	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	491014122	WEHGCYNUMWJVMM-UXBLZVDNSA-N	320.261	1.173	50	20	DDGD	
CC[C@@H](NC(=O)c1ccc(B(O)O)cc1)c1csc(C)c1	585003819	QZAQGRJEVSADGJ-CQSZACIVSA-N	303.192	1.617	50	20	DDGD	
C[C@H](NC(=O)O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	833739444	DKTJGNSAUPUOIC-ITOAGHBLSA-N	309.366	1.006	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2cccc(Cl)c2Cl)CCN1	838350359	VHFKAUCCFJJURF-SSDOTTSWSA-N	302.161	1.963	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H](C)c2cnccn2)cc1	905122927	BRUBBYDEARZZCZ-GFCCVEGCSA-N	314.345	1.115	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@]1(C)COc2ccccc2O1	900001751	UVMPDWKTIPLALT-HNNXBMFYSA-N	323.418	1.510	50	20	DDGD	
Cc1nc2c(s1)C(=NNC(=O)CN1CCCC1=O)CCC2	730947495	UMXUVDPQGOZWCU-UHFFFAOYSA-N	306.391	1.231	50	20	DDGD	
Cc1[nH]c(C(=O)NNc2cccc([N+](=O)[O-])c2)c(C)c1C(=O)O	833739640	GADUFSXLVNDFKQ-UHFFFAOYSA-N	318.289	1.995	50	20	DDGD	
C[C@H](C(=O)O)n1cccc1C=NNC(=O)Cc1cccnc1	833408924	ZUYMJRDJMXUONV-LLVKDONJSA-N	300.318	1.222	50	20	DDGD	
Cc1ccc(SCCNCc2ccc(B(O)O)o2)cc1C	585014756	ZVFJKKBGLUUYSP-UHFFFAOYSA-N	305.208	1.458	50	20	DDGD	
C[C@H]1CCC[C@H](C)C1N(C)C(=O)c1ccc(B(O)O)c(F)c1	584942538	SMOSIIBUNXSORW-QWRGUYRKSA-N	307.174	1.402	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@@H]1CC[C@H]2CCC[C@H]2C1	838495501	MPHOUIUFZQUNMK-RQJABVFESA-N	309.410	1.855	50	20	DDGD	
O=C(NCC1(c2ccccc2)CCCC1)c1cccc(B(O)O)c1	584926482	PLDUYWWBXWGIPD-UHFFFAOYSA-N	323.201	1.608	50	20	DDGD	
CO[C@H](C=NNC(=O)c1ccc(O)c(O)c1)C1CCOCC1	834975665	QAMPKMKLVYAHGJ-CQSZACIVSA-N	308.334	1.255	50	20	DDGD	
CC1CCC(CN(C)C(=O)c2cc(B(O)O)ccc2F)CC1	584950228	ICWDEYHFDGMRPX-UHFFFAOYSA-N	307.174	1.404	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCCN(C)C1CC1)c1ccccc1	732891613	OXDGCQIVZNRUMK-OAHLLOKOSA-N	318.421	1.605	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)[C@@H](C)CN2CCOCC2)C1(C)C	736426950	IYNYZTOWJAXJTI-GXTWGEPZSA-N	311.426	1.262	50	20	DDGD	
CO[C@H]1CCCC[C@H]1c1nc(-c2ccc(B(O)O)cc2)no1	585055120	RILWNAVMRQKLSW-OLZOCXBDSA-N	302.139	1.089	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)N[C@H]1C[C@@H]1C1CCCCC1	836324504	NORBKELDDHILMG-KGLIPLIRSA-N	317.393	1.808	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNC(=O)c2ccncc2)ccc1F	919676650	LTFKKRKJVAVSRX-UHFFFAOYSA-N	316.292	1.254	50	20	DDGD	
CC(C)Cn1ccc(C(=O)NNC(=S)NCC2CCC2)n1	912107257	NXGABBNNGIQBSG-UHFFFAOYSA-N	309.439	1.448	50	20	DDGD	
CC(=O)N(c1ccccc1)c1nc(C=NNC(N)=O)cs1	916248419	DPUIYQIFZJJYHE-UHFFFAOYSA-N	303.347	1.830	50	20	DDGD	
COc1cc(C=NNC(=O)Cc2cc[nH]n2)cc(OC)c1OC	916655902	KIAKWJXOLKAZOQ-UHFFFAOYSA-N	318.333	1.128	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCC(O[C@H]2CCOC2)CC1	749111058	BXVGELOVCJFSTF-LBPRGKRZSA-N	313.398	1.043	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N[C@H](C)CCN)c2ccccc2n1	841967905	RKSZAQSQMOAMCP-SNVBAGLBSA-N	315.377	1.225	50	20	DDGD	
C[C@@H]1[C@H](CO)CCCN1C(=O)NNC(=O)c1ccc(C#N)cc1	841580026	FGLRYSJONUYXGQ-RISCZKNCSA-N	316.361	1.005	50	20	DDGD	
O=C(Cc1ccn(-c2ccc(F)cc2)n1)NNc1cnccn1	743412564	LCHZDLWGCUFNMI-UHFFFAOYSA-N	312.308	1.487	50	20	DDGD	
O=C(CC[C@@H]1CCCO1)NNc1ncc(Br)cn1	848319954	HJPSJPQJRIGCDF-VIFPVBQESA-N	315.171	1.641	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1cccc(O[C@H](C)CC)c1	849303739	JKWGSZXTIXEDLA-SNVBAGLBSA-N	300.380	1.583	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2ccc(-n3ccnc3)nn2)CS1	841590664	PHTVVBHSLSGQNV-UWVGGRQHSA-N	319.394	1.182	50	20	DDGD	
CCc1ccc([C@@H](C)CC(=O)NNC(=O)c2ncccn2)cc1	841349853	AGNMEEYRAPASJP-LBPRGKRZSA-N	312.373	1.994	50	20	DDGD	
CCOc1ccc(OCCCC(=O)NN(C)C[C@H](C)O)cc1	910182544	JJYASJIABJZSKK-ZDUSSCGKSA-N	310.394	1.588	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccnc(Cl)c1F	843979248	NCDNOYLAMOPURR-NKWVEPMBSA-N	301.705	1.060	50	20	DDGD	
O=C(CN1CCC2(CCCC2)C1)NNC(=O)c1cccs1	744421807	GHOQKPLYQDVHMD-UHFFFAOYSA-N	307.419	1.775	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)[C@@H]1CCO[C@H]1C)O[C@H](C)C2	842552579	BCYBMWUHYUNRBH-UHIISALHSA-N	318.373	1.894	50	20	DDGD	
CN1CCC[C@@H](CCNC(=O)NNc2ncncc2Cl)C1	841589674	LEAZXKKNFOEEGF-JTQLQIEISA-N	312.805	1.488	50	20	DDGD	
Cc1ccoc1C=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1	743429538	RTKHDVPHHSIWDO-MCIONIFRSA-N	307.394	1.783	50	20	DDGD	
CCn1ccnc1SCC(=O)NNC(=O)c1cccc(C)c1	742452486	ULMZVPBODREPHP-UHFFFAOYSA-N	318.402	1.765	50	20	DDGD	
COc1ccc(NNC(=O)c2cnc3sccn3c2=O)cc1	746882665	GBZGHWVFAWXXRH-UHFFFAOYSA-N	316.342	1.522	50	20	DDGD	
C[C@H](OCc1ccccc1)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843648828	ZMPFMQCEWUXMOU-OBJOEFQTSA-N	306.362	1.164	50	20	DDGD	
O=C(NN=Cc1cnc2cnccn12)Nc1ccc(C(=O)O)cc1	746372509	PWVLTSARGOYKJP-UHFFFAOYSA-N	324.300	1.583	50	20	DDGD	
CCC(CC)[C@H](CCNC(=O)NNC(=O)c1ncccn1)OC	841591697	FFENNYNIKTVXAP-LBPRGKRZSA-N	323.397	1.262	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)C[C@H](OC)C1CCCCC1	849304678	UYGHEGIJHSQPAX-YPMHNXCESA-N	320.455	1.578	50	20	DDGD	
O=C(NCC1CC2(C1)OCCO2)NNc1ccc(F)c(F)c1	927099344	CJDIBGNWJDMZBC-UHFFFAOYSA-N	313.304	1.744	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	843978626	XCCDJPILFOKSPQ-RISCZKNCSA-N	306.362	1.200	50	20	DDGD	
CCC/C(C)=C\C(=O)NNC(=O)COc1ccc(C#N)cc1	920285833	VWZVERUQZOASDI-XFXZXTDPSA-N	301.346	1.831	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1n[nH]c2c1CCCC2	920855914	GACZWYKUGQYHHC-UHFFFAOYSA-N	303.322	1.026	50	20	DDGD	
O=C(NCC[C@H]1CCNC1)NNc1ccc(OC(F)F)cc1	841938302	METGMRYTIYEVJL-SNVBAGLBSA-N	314.336	1.914	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC[C@H](N)C1CC1)c1ccccc1	841965525	HSKSUYSGSGQNTB-KBPBESRZSA-N	304.394	1.248	50	20	DDGD	
CCOc1cccc(CC(=O)NNC(=S)NCC2CCC2)n1	855089767	FVGMRTQLEIAARD-UHFFFAOYSA-N	322.434	1.318	50	20	DDGD	
CCN(CC(=O)N(C)C)C(=O)/C(C#N)=C\c1ccc(F)cc1	752011822	CSZFZPSIIFDTOS-LCYFTJDESA-N	303.337	1.669	50	20	DDGD	
CCCNC(=O)NNC(=O)CCCOc1ccc(OCC)cc1	921042568	AMQARLIJUXABIR-UHFFFAOYSA-N	323.393	1.985	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)CS(C)(=O)=O)ccc1Cl	928341312	WLPFLHDDDJAZKE-VIFPVBQESA-N	304.799	1.772	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc(O)nc3c2CCCC3)n1	929714554	CKBYGTYTHKMWLI-UHFFFAOYSA-N	313.361	1.830	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=Cc1ccc(O)c(F)c1	755678446	GZLVNKCIYXFDMB-UHFFFAOYSA-N	321.333	1.473	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)OCC(F)(F)F	856025530	SKJFQZBVNJXCNX-UHFFFAOYSA-N	306.244	1.222	50	20	DDGD	
COCC(C)(C)C=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1	754918252	RVWNTERYPJIOFU-MCIONIFRSA-N	313.442	1.506	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NCc1ocnc1C	923800024	QBBPUXPFWOYCAC-UHFFFAOYSA-N	302.334	1.365	50	20	DDGD	
COc1ccc(Cl)cc1C(F)(F)C(=O)NNC(=O)C1CC1	929229802	HEDSZPLSWSIJND-UHFFFAOYSA-N	318.707	1.998	50	20	DDGD	
CC1(C)OC[C@H](CNC(=O)NNc2cc(F)ccc2F)O1	921895693	LVTSEPSMJONRSW-VIFPVBQESA-N	301.293	1.742	50	20	DDGD	
CCN1CCO[C@H](C(=O)OC[C@@H](CBr)C2CC2)C1	859571314	PVFJXWRYJFCKFO-NEPJUHHUSA-N	320.227	1.671	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccnc(OCC(F)F)c1	758392733	FRCXDWFZQBCPRK-UHFFFAOYSA-N	313.304	1.677	50	20	DDGD	
CCC[C@@H](C(=O)NNc1cc(F)cc(Cl)c1)S(N)(=O)=O	855620246	QAISNEDCMNIOAG-JTQLQIEISA-N	323.777	1.379	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)C[C@H]2CCC(=O)N2)cc1C	854573292	FEGAHVDKTMZOLT-LLVKDONJSA-N	319.361	1.284	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2F)C1	855623247	XDSJDOKLYWTAQY-SECBINFHSA-N	324.312	1.436	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)nc(C)n1	857130533	JNXJBXHACQCTQU-YNEHKIRRSA-N	317.393	1.231	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NN=Cc1ccncc1	853372382	LOTCYZDWONGERZ-ZIAGYGMSSA-N	313.361	1.433	50	20	DDGD	
CCC1(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)CC1	750481781	KNTLBELFIAMCFE-UHFFFAOYSA-N	315.329	1.053	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H]1CCN(C(=O)c2ccccc2)C1	858283948	AJYCMVFZPCNNIO-AWEZNQCLSA-N	317.389	1.342	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=Cc1cccc(F)c1O	755753268	NNYODDNEWONNCN-UHFFFAOYSA-N	312.304	1.872	50	20	DDGD	
Cc1ccoc1CC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	854223341	DFZITQWYVMRPEN-LLVKDONJSA-N	320.320	1.885	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccnc(Cl)c2)[C@@H]2CCCC[C@H]2N1	855465996	FVEFLJVIKBITLQ-SDDRHHMPSA-N	322.796	1.873	50	20	DDGD	
Cn1nc(C(=O)OC[C@H](CBr)C2CC2)ccc1=O	859506645	VPDCYKDYXDSJMD-VIFPVBQESA-N	315.167	1.358	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cnc2c(c1)CCCC2	930768539	PWKAOHFJJICDHA-UHFFFAOYSA-N	300.362	1.917	50	20	DDGD	
CC(C)[C@H]1C[C@@H](C(=O)NNC(=O)N=c2cc[nH]cc2)CCO1	935858395	WXNUPLPSKAAWON-WCQYABFASA-N	306.366	1.107	50	20	DDGD	
COC(=O)[C@H]1CCC[C@H](C(=O)NNc2nc3ccccc3[nH]2)C1	768513189	RMMJWOQWOYANPZ-QWRGUYRKSA-N	316.361	1.985	50	20	DDGD	
COc1ccc(C(=O)NNc2nccnc2OC)nc1Cl	768734544	NHLYKUNRTGZHNL-UHFFFAOYSA-N	309.713	1.299	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@H](C)C1CC1	767374728	NSLYGRIOPGCCHL-GFCCVEGCSA-N	318.373	1.274	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CNC(=O)CCC(C)C)c1	862476056	GXXHOJLIIOFZTO-UHFFFAOYSA-N	311.407	1.370	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C2(C(F)(F)F)CCC2)n[nH]1	869015981	DTAAOTLYMPHILF-UHFFFAOYSA-N	304.272	1.141	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]21)C(F)(F)F	862321694	CGWACWOCOITXLK-JLIMGVALSA-N	307.316	1.253	50	20	DDGD	
CCCNC(=O)NNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12	762966087	JWMKLYNYDFQWKJ-UHFFFAOYSA-N	305.294	1.430	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)CNc1ccc(C)cc1)C1CC1	863853474	IBFQISUKKCNBPZ-HNNXBMFYSA-N	305.378	1.369	50	20	DDGD	
CC[C@@H]1CCCC(=NNC(=O)CNC(=O)c2cccnc2)C1	763197975	DBCNLVXKIQUHGO-GFCCVEGCSA-N	302.378	1.884	50	20	DDGD	
CN(C)CC(=O)NN=Cc1cc(F)ccc1Br	761258264	IGGXPTFAHUYILK-UHFFFAOYSA-N	302.147	1.600	50	20	DDGD	
C[C@H](NNC(=O)c1cc(Br)nn1C)C(F)(F)F	862316699	GDNLCYZEMWBCEY-BYPYZUCNSA-N	315.093	1.368	50	20	DDGD	
C[C@H]1CCC[C@H]1NC(=O)NNc1ccccc1S(C)(=O)=O	765755014	BEZOLRNNBRYCBX-WDEREUQCSA-N	311.407	1.905	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NNC(=O)Cc1cc(C)[nH]n1	869014858	BXJLDOKHBUBIBZ-TZMCWYRMSA-N	322.409	1.393	50	20	DDGD	
Cc1ccc2nc(C(=O)NNC(=O)CC3CCCC3)cn2c1	863864092	SVWJXUCJXSKGEP-UHFFFAOYSA-N	300.362	1.984	50	20	DDGD	
COc1cccc(NNC(=O)c2n[nH]c3c2C[C@@H](C)CC3)n1	1119526053	SUUSOBYOBLGZKK-VIFPVBQESA-N	301.350	1.695	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1ccc([N+](=O)[O-])[nH]1	766669442	KCLNLWGXOOJCTO-UHFFFAOYSA-N	324.318	1.083	50	20	DDGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)c1cncnc1	760800196	QKZYZHKFBCTGOD-UHFFFAOYSA-N	307.766	1.761	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@H]1NC(=O)[C@H](Br)C(C)(C)C	768367583	GMDPUVDXWBIQRE-BBBLOLIVSA-N	319.243	1.827	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)c1O	763984585	XCNRDWSRHDZWBB-VHSXEESVSA-N	320.345	1.167	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)NC2CC2)CC(c2ccccc2)=NO1	874194348	ZIUYLSQBSVJHNX-HNNXBMFYSA-N	302.334	1.063	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCOCc1ccc(Cl)cc1	875420221	SQXFDPCUZKZNKB-UHFFFAOYSA-N	315.757	1.769	50	20	DDGD	
COc1cc(C=NNC(=O)c2cc(C)[nH]n2)ccc1[N+](=O)[O-]	770616270	URIPTVVZLXBHDM-UHFFFAOYSA-N	303.278	1.399	50	20	DDGD	
CS(=O)(=O)CCCC(=O)NNc1cc(Cl)ccc1F	871271901	DFXFDWZCIOWYHQ-UHFFFAOYSA-N	308.762	1.747	50	20	DDGD	
COc1cc(F)c(NC(=O)NNc2cnccn2)cc1OC	770025546	RRIJEDRIOHAGPX-UHFFFAOYSA-N	307.285	1.782	50	20	DDGD	
O=C(NNc1ncccn1)C(F)(F)c1ccc([N+](=O)[O-])cc1	778238867	QQDATJYLHHVUIB-UHFFFAOYSA-N	309.232	1.620	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)NC1(C(F)(F)F)CCC1	879378388	FOMNTLSJJMMESF-UHFFFAOYSA-N	305.260	1.147	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCCS1	772165597	NSNQRYHVIBOFAQ-VHSXEESVSA-N	302.396	1.007	50	20	DDGD	
Cc1ncccc1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	772106248	OPDQOOHLXBYLFE-NSHDSACASA-N	307.350	1.129	50	20	DDGD	
CO[C@H]1CCC[C@H]1CNC(=O)NNC(=O)c1ccccc1F	774786015	IBTDWIQHNJHKEO-GWCFXTLKSA-N	309.341	1.585	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CC[C@H](C)C2)cc1OC	776285220	JRDCPEIFQZBTGH-QWRGUYRKSA-N	306.362	1.901	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCCCCC(=O)OC(C)(C)C	773763204	ZOOKNYAYIXUVNK-UHFFFAOYSA-N	301.387	1.485	50	20	DDGD	
COc1cc(CNC(=O)NNC(=O)C2CCOCC2)ccc1C	883185894	GMBFGHFQDCWZMH-UHFFFAOYSA-N	321.377	1.261	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)co1	771857101	GOUMRGBJTZDBNT-UHFFFAOYSA-N	303.274	1.041	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc2ccc(C)cc2[nH]1	771838127	GLUMCYJPNRXISY-SNVBAGLBSA-N	317.345	1.579	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)C1(C(=O)NC2CC2)CC1	774778791	FRLOAKHDOYSGSM-UHFFFAOYSA-N	311.345	1.132	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)N[C@H](C)c1nnnn1C	1123647233	BJPHCKJSZGCAGW-MRVPVSSYSA-N	309.761	1.559	50	20	DDGD	
CCN(CC(=O)NNc1ccnc(Br)c1)C1CC1	771554082	VQVZDHOWZZSZPN-UHFFFAOYSA-N	313.199	1.772	50	20	DDGD	
C#CCCCCCC(=O)NNC(=O)Cc1ccccc1OC	779861178	PGEQUPHMGBVZKC-UHFFFAOYSA-N	302.374	1.969	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCc2cnn(C)c2C)cc1O	882049303	PNGQVUQJXZEALI-UHFFFAOYSA-N	316.361	1.136	50	20	DDGD	
CC[C@@H]1C(=O)NCCCN1C(=O)/C(C#N)=C/c1ccc(O)cc1	886505634	JTJBNSXQHOMRHF-NRMKIYEFSA-N	313.357	1.426	50	20	DDGD	
Cc1nn(CC(=O)OC(C)C)c(C)c1C=NNC(=O)C(F)F	782230870	INUUCKAZTKIHET-UHFFFAOYSA-N	316.308	1.167	50	20	DDGD	
Cc1csc2nc(COC(=O)/C(C#N)=C\C3CC3)cc(=O)n12	786681482	WXYLSTPOIBCIBB-WCIBSUBMSA-N	315.354	1.968	50	20	DDGD	
CN1CCC[C@H]1c1cc(C(=O)NNc2ccnc(Cl)c2)n[nH]1	898674662	IHLWDIKFEZIBCX-LBPRGKRZSA-N	320.784	1.982	50	20	DDGD	
Cc1ccc(C)c(C2=NO[C@H](C(=O)NNC(=O)C(C)C)C2)c1	899947027	NGJVVCWIJYFPIT-AWEZNQCLSA-N	303.362	1.600	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCCOC1CCSCC1	899073946	NIZMZQJDQJGWMH-UHFFFAOYSA-N	319.427	1.638	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc2cc(OC)ccc2nc1C	780709710	SWLRKWJBYPXFKR-UHFFFAOYSA-N	316.361	1.858	50	20	DDGD	
COc1cccc(NNC(=O)Cc2ccc([S@@](C)=O)cc2)n1	797974742	CKIOGLGZOBEPBW-JOCHJYFZSA-N	319.386	1.513	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@H]1CCN(c2ccccc2F)C1	793673846	OZNVLLQXJDHFLR-UKVQZPPCSA-N	303.337	1.965	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2ccc(N(C)CCO)cc2)n1	794572742	ZYRXINXLHWPFKA-UHFFFAOYSA-N	312.373	1.582	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Cc2ccc([S@@](C)=O)cc2)n1	797807869	PFCVYWOQRVVBEX-JOCHJYFZSA-N	318.402	1.517	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1c(F)cc(F)cc1F	792375711	LXMKKTYNLKJTGN-UHFFFAOYSA-N	324.262	1.889	50	20	DDGD	
Nc1cnnc(NNC(=O)C2(c3ccccc3)CC2)c1Cl	1319210103	XEPCCXFKHYFRLQ-UHFFFAOYSA-N	303.753	1.887	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CCCc2ccccc2)ccn1	1318418695	UINVMEGXLSJVQB-UHFFFAOYSA-N	313.357	1.874	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ccnn2C2CCCC2)c1Cl	1319406017	KNKUUJIYDHNXCK-UHFFFAOYSA-N	321.772	1.781	50	20	DDGD	
O=C(NN=C1CCN2CCC[C@H]12)c1cncn1-c1ccccc1	1319628903	BMXQFDOELIEIBO-OAHLLOKOSA-N	309.373	1.826	50	20	DDGD	
Cc1ncncc1C(=O)NNC(=O)Cc1c[nH]c2ccccc12	1317858258	MBPZMHAQOSYTRJ-UHFFFAOYSA-N	309.329	1.270	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccccn1)c1ccc(F)cc1F	1318710445	PGOUPQBHOVAQGQ-SECBINFHSA-N	305.284	1.925	50	20	DDGD	
O=C(NNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccccc1Cl	1326697478	MFSSHALQRKXNPT-UHFFFAOYSA-N	309.669	1.046	50	20	DDGD	
O=C(CCO)NN=C1CCCc2c(Br)cccc21	1320861200	UQGBXHUMUOMCBT-UHFFFAOYSA-N	311.179	1.988	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@@H]1CCCCN1C	1343036448	DALDWMWAJRJLMW-ZDUSSCGKSA-N	304.394	1.423	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C(=O)NNc2ccn(C)n2)c1C	1344049313	ONVLCCZBCJZRDD-UHFFFAOYSA-N	305.338	1.299	50	20	DDGD	
CO[C@H]1CCC[C@H]1C(=O)NNc1ncc(Br)cn1	1262630932	OTTQZDVUYXXANX-BDAKNGLRSA-N	315.171	1.497	50	20	DDGD	
O=C(NNc1cccc(F)c1C(=O)O)c1csc(CO)n1	1601560972	IMRVWDSLLXGVKU-UHFFFAOYSA-N	311.294	1.230	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C(=O)O)c1cccc(C(F)(F)F)c1	1609770044	ZAIPHUYLWFXBNX-LURJTMIESA-N	319.239	1.181	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNc2ccc(C(=O)O)c(Cl)c2)n1	1600179346	XSGNXROXWJFVTE-UHFFFAOYSA-N	322.752	1.995	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2c(F)cncc2F)cc1F	1602383686	XLZQUUFCFNAYLT-UHFFFAOYSA-N	311.219	1.954	50	20	DDGD	
Cc1c(CNC(=O)NNc2ccc(CC(=O)O)cc2)cnn1C	1600011197	ACJJQMSUJRWPLZ-UHFFFAOYSA-N	317.349	1.182	50	20	DDGD	
O=C(NNC(=O)C(=O)O)N[C@H]1CCc2cccc3cccc1c23	1608477387	IDMVSVGFIQILNF-LBPRGKRZSA-N	313.313	1.242	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(F)c(C(=O)O)c1)[C@H]1CCOC1	1609767559	HNMMCXFGKYENOB-BDAKNGLRSA-N	311.313	1.575	50	20	DDGD	
Cc1cc(C(=O)O)oc1C(=O)NNc1ccc([N+](=O)[O-])cc1	1600133737	RRQVHKYJWICXSH-UHFFFAOYSA-N	305.246	1.951	50	20	DDGD	
CCCNC(=O)CCC(=O)NNc1ccc(CC(=O)O)cc1	1605327036	QMPVWMWJEZNNBC-UHFFFAOYSA-N	307.350	1.063	50	20	DDGD	
O=C(O)Cc1ccccc1NC(=O)NNC(=O)[C@@H]1CCCS1	1606320646	NBWNZCUNAGKCBI-NSHDSACASA-N	323.374	1.362	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)O)cn1	1610601680	RSIXPDBPIPFQLX-FEPLPGBKSA-N	316.361	1.477	50	20	DDGD	
CO[C@H](C)C(C)=NNC(=O)[C@H]1CCCO[C@H]1c1ccnn1C	1549321704	VKEJAZBBYGSXIW-MBNYWOFBSA-N	308.382	1.415	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)Nc1ccc2c(c1)OCO2)[C@@H](C)N	1575414711	RVHWBZVQMDHSKU-RNCFNFMXSA-N	322.365	1.187	50	20	DDGD	
Cc1ccc(C)c(OCCCCC(=O)NNC(=O)CCN)c1	1579673019	UMMVBLSJUKYCEB-UHFFFAOYSA-N	307.394	1.349	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2[nH]cnc2C)C1	1843522724	LNYLNGGKICFLDW-NSHDSACASA-N	324.812	1.553	50	20	DDGD	
CC1CCN(C(=O)C(=O)NNc2cccc(C(=O)O)c2)CC1	1594393744	RAKXZICLTWZZRO-UHFFFAOYSA-N	305.334	1.086	50	20	DDGD	
O=C(O)Cn1cccc1C=NNC(=O)c1cccc(C(=O)O)c1	1595158649	SUVHKWWERZEHHV-UHFFFAOYSA-N	315.285	1.035	50	20	DDGD	
COc1ccccc1NNC(=O)c1ccsc1-c1nn[nH]n1	1591652038	ZWKBCZJKIIKJPF-UHFFFAOYSA-N	316.346	1.694	50	20	DDGD	
CO[C@H]1CC[C@@H](NC(=O)NNc2ccc(F)c(C(=O)O)c2)C1	1599102447	MOIZYJCRFTWMLF-SCZZXKLOSA-N	311.313	1.718	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1C[C@H]1c1ccncc1	1593164726	KVKIIEQNOSTUDL-UONOGXRCSA-N	321.344	1.509	50	20	DDGD	
CC(=NNC(=O)c1ccc(C(=O)O)cc1)c1cc(C)nn1C	1776100729	XBQOBOGCHOSFPG-UHFFFAOYSA-N	300.318	1.581	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)c2ccc(C(=O)O)cc2)[nH]1	1776100125	RVYMSSBGRMWYGU-UHFFFAOYSA-N	315.285	1.263	50	20	DDGD	
COc1ccc(C(=O)O)cc1C=NNC(=O)Cc1ccccn1	1776043395	MGQOLUGJFKKIKZ-UHFFFAOYSA-N	313.313	1.481	50	20	DDGD	
O=C(Cc1ccc(F)c(F)c1)NNC(=S)Nc1ccccn1	161639089	GDVWAQZEKUCZGC-UHFFFAOYSA-N	322.340	1.920	50	20	DDGD	
COC(=O)NNC(=O)c1cc(Br)cc(Cl)c1O	158678770	MKLTWBZZCRTUSK-UHFFFAOYSA-N	323.530	1.809	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2cncc(F)c2)c1	164239512	XPLRRAWZBWDPMI-UHFFFAOYSA-N	303.293	1.369	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)C(=O)Nc1ccccn1)c1ccccc1	152071464	GPRUSRAUJLREOM-QXMHVHEDSA-N	324.340	1.271	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(C)[nH]c2=O)c([N+](=O)[O-])c1	155349718	ZESFRRDQGOGRSS-UHFFFAOYSA-N	318.289	1.357	50	20	DDGD	
O=C(CN1C(=O)NC2(CCCC2)C1=O)NNc1cccc(F)c1	154297747	XQUBYKVPKHXDGY-UHFFFAOYSA-N	320.324	1.133	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCCO2)c1cccc(O)c1	6970346	MESCSTJMKYVXSU-UHFFFAOYSA-N	314.297	1.238	50	20	DDGD	
COc1ccc(C(=O)NNS(=O)(=O)c2cccc(F)c2)cc1	7518184	HVROACJKFLULSS-UHFFFAOYSA-N	324.333	1.458	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@H]1CSc2ccccc21	118305575	GHDLZQTWSYNINB-NSHDSACASA-N	301.371	1.676	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)c1ccccc1)c1ccco1	175749764	NFKNPEDBJFOLQL-LBPRGKRZSA-N	303.318	1.611	50	20	DDGD	
CS(=O)(=O)c1ccc(NC(=O)NNc2ccccn2)cc1	175769282	FPLFPJFOXQNLQX-UHFFFAOYSA-N	306.347	1.634	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NCCC1CC1	174591787	DPQZXWUIWQVUMI-UHFFFAOYSA-N	301.350	1.387	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc(OC(F)(F)F)cc1	63271034	SCGJKQMMPTXKAC-UHFFFAOYSA-N	305.256	1.938	50	20	DDGD	
COCCCNC(=O)NNC(=O)C(C)(C)c1ccc(F)cc1	171288343	HAGYKEOVEBDOQZ-UHFFFAOYSA-N	311.357	1.470	50	20	DDGD	
CC(C)NC(=O)NNC(=O)COc1ccccc1C(F)(F)F	63269113	JKUSXZCCLKLYGR-UHFFFAOYSA-N	319.283	1.823	50	20	DDGD	
O=C(NNC(=O)N1CCO[C@@H](c2ccco2)C1)c1ccccc1	119099840	GHUYMGQLHOQHEX-CQSZACIVSA-N	315.329	1.708	50	20	DDGD	
CCS[C@@H](C(=O)NNC(=O)Cn1nc(C)cc1C)C(C)C	66592213	GZWRRXGZZGAIFA-CYBMUJFWSA-N	312.439	1.425	50	20	DDGD	
COc1cccc(NC(=O)COc2ccc(C(=O)NN)cc2)c1	66056597	VZJSMUZMWAYJLJ-UHFFFAOYSA-N	315.329	1.316	50	20	DDGD	
COc1cc(/C=C/C(=O)NNC(=O)NC2CC2)cc(OC)c1	64429261	UKVIVGDGULYSTC-ZZXKWVIFSA-N	305.334	1.210	50	20	DDGD	
Cc1cccc(NC(=O)NNC(=O)c2c(C)nc3ccccn23)n1	125221322	IUFBQLCYBIDJMB-UHFFFAOYSA-N	324.344	1.813	50	20	DDGD	
Cn1ccc(CC(=O)NNC(=O)c2cc3ccccc3cc2O)n1	180776553	OXIONNKBDJGMOI-UHFFFAOYSA-N	324.340	1.283	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc(CCOC)cc1	77710375	SUIYCXRXCYADOJ-NSHDSACASA-N	314.407	1.231	50	20	DDGD	
CC(C)(CCC(=O)NNC(=O)C(=O)NC1CC1)c1ccccc1	125381212	TYGPSCNQXQDSCL-UHFFFAOYSA-N	317.389	1.170	50	20	DDGD	
Cc1c(C#N)cccc1NC(=O)C(=O)NNc1ccc(C#N)cc1	186287650	NKFYTUCTFZWOHC-UHFFFAOYSA-N	319.324	1.820	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](C)c1ccccc1F	77163592	QCIVSXAASVXXLA-SNVBAGLBSA-N	323.368	1.381	50	20	DDGD	
C[C@@H]1OCCN(C(=O)NNC(=O)CCCc2ccccc2)[C@@H]1C	120188968	MXTKGAOGZGKXFQ-KGLIPLIRSA-N	319.405	1.859	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cc(C(C)C)no1	70805225	CIKBVSARIJAFAK-UHFFFAOYSA-N	317.345	1.810	50	20	DDGD	
CN(CCC1CC1)C(=O)NNC(=O)COCc1ccccc1	121443435	RGEUMXBQMHCVOE-UHFFFAOYSA-N	305.378	1.676	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2cccc(F)c2F)c(O)c1	121860788	LXRFIRADCXPWMI-UHFFFAOYSA-N	320.295	1.983	50	20	DDGD	
CC[C@H]1C[C@H](C(=O)NNC(=O)c2ccc(Cl)nc2)CCO1	183563404	DHJUGJSTODQILT-KOLCDFICSA-N	311.769	1.701	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)Cc1ccccc1OC	184277045	NSKAYVFXVSDRFI-UHFFFAOYSA-N	308.378	1.448	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1	72793067	SNMLFOYZNRDCLD-CYBMUJFWSA-N	315.285	1.089	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=S)NCCc1cccs1	127903991	LAIUJLTZHXRTFH-SNVBAGLBSA-N	317.505	1.928	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)c(F)c1)NNc1ccc(F)cc1	129191404	LMMMGYBQGKRSAM-UHFFFAOYSA-N	323.274	1.977	50	20	DDGD	
O=C(CCCNC(=O)c1cccnc1)NNc1ccnc(F)c1	182461471	LRQSKIBGUDPZTM-UHFFFAOYSA-N	317.324	1.269	50	20	DDGD	
COc1ccc(NNC(=O)c2cccc(=O)n2C)c([N+](=O)[O-])c1	133613945	RWRGMYSYJCPTOH-UHFFFAOYSA-N	318.289	1.059	50	20	DDGD	
O=C(NNC(=O)c1cncn1-c1ccc(F)cc1)c1ccc[nH]1	195138874	PZTQPBOVEDSSCX-UHFFFAOYSA-N	313.292	1.414	50	20	DDGD	
Cc1[nH]nc2ncc(C(=O)NNC(=O)NC3CCCCC3)cc12	194371730	UMBMBFQEAKXEPF-UHFFFAOYSA-N	316.365	1.543	50	20	DDGD	
C[C@H]1CSCCN(C(=O)NNC(=O)c2ccc(C#N)cc2)C1	192319359	XOZHKKOKEAAAIK-LLVKDONJSA-N	318.402	1.598	50	20	DDGD	
O=C(NCCc1ccccc1OC(F)F)NNc1cccnn1	191567447	JNWBOFNKECQVPM-UHFFFAOYSA-N	323.303	1.947	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCN3CCCC[C@H]23)o1	84157333	DMECPLGFQRSEGD-NWDGAFQWSA-N	306.366	1.159	50	20	DDGD	
CCCN1CC[C@@H](CNC(=O)NNc2nc3ccccn3n2)C1	191539254	LVPJBWFVENKTQW-LBPRGKRZSA-N	317.397	1.087	50	20	DDGD	
COCCCCNC(=O)NNC(=O)COc1cc(C)cc(C)c1	46735377	LRBNTYXEHGOGDK-UHFFFAOYSA-N	323.393	1.439	50	20	DDGD	
Cc1cccc(OCCC(=O)NNc2nc3ccccn3n2)c1	191907100	XUNLHWNZOJCRIR-UHFFFAOYSA-N	311.345	1.950	50	20	DDGD	
O=C(CCc1ccncn1)NNc1ccc(C(F)(F)F)cn1	191895283	PTSSNTJQTXOQDU-UHFFFAOYSA-N	311.267	1.966	50	20	DDGD	
C[C@H]1CCCC[C@H]1OCCNC(=O)NNC(=O)c1ccc[nH]1	193815892	UOTMATDNTULTIT-WCQYABFASA-N	308.382	1.554	50	20	DDGD	
O=C(CCCOCCc1ccccc1)NNC(=O)c1ccc[nH]1	97464490	IJJBYEBLAVEWAP-UHFFFAOYSA-N	315.373	1.815	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H]1CC1(Cl)Cl	91821899	XWKAQWNCIHZVCV-YFKPBYRVSA-N	302.252	1.039	50	20	DDGD	
CC1(CNC(=O)NNC(=O)Cc2cccnc2)CCCCC1	268147434	VNAFMWPNTBNZMO-UHFFFAOYSA-N	304.394	1.925	50	20	DDGD	
COCCC1(CNC(=O)NNC(=O)c2ccccc2O)CCC1	268458010	CDNREJBXJAGAKU-UHFFFAOYSA-N	321.377	1.543	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)CC1CCOCC1	265301603	PBCWPTNQJJNSDS-UHFFFAOYSA-N	310.325	1.169	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@H]1COc2ccccc2O1)C(C)(C)C	265206630	DHKXKKPKZPBYRR-ZWNOBZJWSA-N	306.362	1.656	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H]1C[C@H]1c1cc(OC)ccc1OC	276548479	PVWZRLQGMUGLFO-AAEUAGOBSA-N	321.377	1.500	50	20	DDGD	
O=C(NNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)NC1CC1	272447639	BUOXDHOIBRGBTP-UHFFFAOYSA-N	314.248	1.179	50	20	DDGD	
COc1ccc(NNC(=O)NCC[C@H]2CCO[C@H](C)C2)nc1	276004621	SGPCZPHTTOVKHA-NEPJUHHUSA-N	308.382	1.922	50	20	DDGD	
C=C(C)[C@@H](CC(=O)NNC(=O)CNc1ccc(C)cc1)OCC	270434203	NAHAROZOPVHKLP-OAHLLOKOSA-N	319.405	1.926	50	20	DDGD	
CCCOc1ccccc1NC(=O)C(=O)NNC(=O)[C@@H](C)CC	274050820	ITOHKYFHLGFLPA-NSHDSACASA-N	321.377	1.607	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)NOC1CCCC1	271696670	GLLFUSRULFRXEB-UHFFFAOYSA-N	308.294	1.413	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccc2c(c1)CCC(=O)N2	273361217	VYWRFAQJXZTCLM-UHFFFAOYSA-N	302.334	1.524	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC[C@H]2CCO[C@H](C)C2)o1	273046849	FRLRFUMLFYLCLF-NEPJUHHUSA-N	309.366	1.737	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2nccn2C1)c1cccc(Cl)c1	372714681	KWFABYKDPNIWOB-NSHDSACASA-N	318.764	1.560	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	374006465	SZKVDDLGZFWUHS-HXFLIBJXSA-N	323.340	1.024	50	20	DDGD	
N#Cc1cccc(-n2ccc(C(=O)NNC(=O)C3CCC3)n2)c1	281239646	LQBYEQXYEFFGKJ-UHFFFAOYSA-N	309.329	1.305	50	20	DDGD	
O=C(NNc1ncccn1)N[C@@H]1COc2c(Cl)cccc21	371962325	KTFWOAQMWIXEKV-SNVBAGLBSA-N	305.725	1.890	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H]1CCc2cn[nH]c2C1	281168348	IRTSJQQEHOLBBJ-LLVKDONJSA-N	313.361	1.676	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21	296340458	CGFKKJMRNCBTEM-CBBWQLFWSA-N	315.373	1.224	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2ccc(C#N)c(F)c2)O1	297542618	YHUHQKSDHYEONN-UFBFGSQYSA-N	306.297	1.418	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)CCO1	802097803	UGYARHQNRHKRIU-UWVGGRQHSA-N	321.333	1.383	50	20	DDGD	
CSSCCNC(=O)NCC1(O)CCN(C(C)C)CC1	807229866	LFIVEFOUDDMAOK-UHFFFAOYSA-N	321.512	1.532	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1ccc2c(c1)OCCO2	296300111	VSRPYJGFGSCNEC-LBPRGKRZSA-N	321.333	1.180	50	20	DDGD	
CC[S@@](=O)c1ccccc1C(=O)NNC(=O)NC1CCCC1	299339349	LYPDUKTVJPJFBX-JOCHJYFZSA-N	323.418	1.701	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cc3c(s2)CCC3)no1	804030252	OXSZPLHEYFSVMN-UHFFFAOYSA-N	306.347	2.000	50	20	DDGD	
CC(C)Oc1ccccc1NC(=O)NNC(=O)[C@@H]1CCCO1	292563354	GWDHBTZUANKBSI-ZDUSSCGKSA-N	307.350	1.806	50	20	DDGD	
Cc1nc(NC(=O)C(=O)NNc2cccc(F)n2)sc1C	807390783	OYHARNGGVUFLTD-UHFFFAOYSA-N	309.326	1.376	50	20	DDGD	
Cc1ccc2snc(C(=O)NNC(=O)N3CCOCC3)c2c1	292938806	JQEYRUCITJAXQU-UHFFFAOYSA-N	320.374	1.291	50	20	DDGD	
Cn1c(C(=O)NNC(=O)[C@@H]2CCCCO2)cc(Cl)c1Cl	295300400	FBSWFQXBCWQQPC-VIFPVBQESA-N	320.176	1.662	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2cn(C(C)C)nn2)cc1	807946123	MYHUPEZKTTWLBY-UHFFFAOYSA-N	300.366	1.730	50	20	DDGD	
CC(C)Oc1cccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)c1	297596553	ZZBUBCZSWYJFAJ-UHFFFAOYSA-N	321.377	1.606	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H](O)c1cccnc1	805372619	BKWGQITWYOGEDR-CYBMUJFWSA-N	302.290	1.475	50	20	DDGD	
COCCN(C)NC(=O)c1cc2c(OC(F)F)cccc2[nH]1	297097718	NELSUPYEIQQPLA-UHFFFAOYSA-N	313.304	1.992	50	20	DDGD	
O=C(COc1cc(F)cc(F)c1)NNC(=O)c1ccncc1	809937526	VXISWGMZGZBHIU-UHFFFAOYSA-N	307.256	1.200	50	20	DDGD	
COc1cc(/C=C/C(=O)NNC(=O)N(C)C)ccc1OC(C)C	299394915	SXKNZZZCKSQEEM-VQHVLOKHSA-N	321.377	1.798	50	20	DDGD	
Cc1cc(Cl)nc(CNC(=O)NNC(=O)CC(F)(F)F)c1	800732633	XVZQZVOMBMUXRW-UHFFFAOYSA-N	324.690	1.826	50	20	DDGD	
CC[C@H](C)CONC(=O)NNc1cccc(S(C)(=O)=O)c1	291711684	GLSSVTFVGAWYAK-JTQLQIEISA-N	315.395	1.694	50	20	DDGD	
COCC1(CNC(=O)NNc2cccc(OC)n2)CCOCC1	292460117	JRWLKKYKYHUXOR-UHFFFAOYSA-N	324.381	1.160	50	20	DDGD	
COC(=O)C1(CNC(=O)NNc2cccc(F)n2)CCCC1	805166609	LLORCLPNYCPNPM-UHFFFAOYSA-N	310.329	1.580	50	20	DDGD	
Cc1cc(F)c(S(=O)(=O)NNC(=O)C2CCCC2)c(F)c1	818048798	NETFSRQXAGHNOC-UHFFFAOYSA-N	318.345	1.773	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)[C@H](C)Oc1ccccc1F	811633632	QTDCZLXUCPRWMW-RYUDHWBXSA-N	321.352	1.754	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNc1cc(Cl)nc(Cl)c1	819746713	FZMMHDZYGLGACA-MRVPVSSYSA-N	319.192	1.979	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)CCc2c(C)nc(O)nc2O)c1	818032037	IFMJXFZCISKFBM-UHFFFAOYSA-N	316.361	1.889	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc3nc(C)nn3c2)cc1	810393087	MCEGBYZPBGEUFY-UHFFFAOYSA-N	324.344	1.428	50	20	DDGD	
CO[C@H]1CCC[C@H](C(=O)NNC(=O)c2ccc(Cl)nc2)C1	814405578	ADXKVYQHJYSMDP-ONGXEEELSA-N	311.769	1.701	50	20	DDGD	
CC(=O)N[C@@H](CC(=O)NNc1ncncc1F)c1cccs1	817082003	NERJAWWNZBDETJ-JTQLQIEISA-N	323.353	1.388	50	20	DDGD	
O=C(NNC(=O)c1conc1C(F)(F)F)c1ccccn1	816808599	SVYXJGALCGQRSI-UHFFFAOYSA-N	300.196	1.163	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CC[C@H](CC(=O)O)[C@@H]1C	814854107	CPNOHURIIJMOOS-VHSXEESVSA-N	311.382	1.284	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H](O)c2ccc(Cl)cc2)n1	813397710	IGLWEFUHOPNECS-GFCCVEGCSA-N	306.753	1.924	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCCC[C@@H]1CCCO	814864721	HXJKPSXYFHOSKG-CHWSQXEVSA-N	300.399	1.473	50	20	DDGD	
O=C(NN=Cc1cc(Cl)c(F)cc1O)N1CCOCC1	814820867	DOTVTLUUUXZSBW-UHFFFAOYSA-N	301.705	1.560	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cnc2c(F)cccc2c1	815506048	IXNRWWKYKOPXSL-UHFFFAOYSA-N	313.292	1.480	50	20	DDGD	
CNC(=O)NCCC(=O)NNc1ccc(OC(F)(F)F)cc1	815853715	WTWRIWVGYLRKBV-UHFFFAOYSA-N	320.271	1.347	50	20	DDGD	
Cn1cccc1C(=O)NN=Cc1ccc(OCC(=O)O)cc1	725846783	NBUHIVLMMQHMDA-UHFFFAOYSA-N	301.302	1.252	50	20	DDGD	
CCC/C=C\C(=O)NNC(=O)C1CCN(c2ncccn2)CC1	729372963	HCJSXHNVJKFPSG-XQRVVYSFSA-N	317.393	1.197	50	20	DDGD	
CC(=NNC(=O)c1ccoc1)c1ccc(-c2nn[nH]n2)cc1F	823953702	MNLFWICBHMLMOJ-UHFFFAOYSA-N	314.280	1.753	50	20	DDGD	
CN(C)CC(=O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1	727649364	IVTGSYXTJYGJJJ-UHFFFAOYSA-N	316.317	1.867	50	20	DDGD	
Cc1cc(OC(C)C)ccc1NC(=O)NNC(=O)c1cc[nH]n1	820176667	NBYLEGLZBTVWRV-UHFFFAOYSA-N	317.349	1.972	50	20	DDGD	
CC1(C(=O)NNc2ccc(-n3ccnc3)nn2)CC(F)(F)C1	822914021	POTRYBVMAZZTSH-UHFFFAOYSA-N	308.292	1.541	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1nc2ccc(OC)cc2s1	490695508	NGQRXJHJGDLKHP-JXMROGBWSA-N	317.370	1.974	50	20	DDGD	
COCC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CC1	821679622	FODLPHVXQGEQLO-UHFFFAOYSA-N	300.322	1.009	50	20	DDGD	
CCc1c(C(=O)NN(C)[C@@H](C)CO)cnn1-c1ccccc1C	823934417	GDDZYSWLRJYJCW-ZDUSSCGKSA-N	316.405	1.701	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC[C@H]1Cc1ccc(F)cc1	827472906	LSRQIFPRGQYUQA-HNNXBMFYSA-N	321.396	1.636	50	20	DDGD	
CN(C(=O)/C(C#N)=C/c1ccc(O)cc1)[C@@H]1CC(C)(C)OC1=O	490942357	NVSPYDCIKXSVLA-CEFACKQISA-N	314.341	1.852	50	20	DDGD	
Cc1nn(C)cc1CC(=O)NNc1cccc(C(F)(F)F)n1	825997507	FAVLZKQPCOQOQH-UHFFFAOYSA-N	313.283	1.828	50	20	DDGD	
C[C@@H]1CC[C@@H](CCC(=O)NNc2cccc(-c3nn[nH]n3)c2)O1	824910980	ZSSZXPLZTIBELC-MFKMUULPSA-N	316.365	1.658	50	20	DDGD	
CCc1oc(/C=C(\C#N)C(=O)NCCOC)cc1C(=O)OC	490912445	XKGJLDGUFFDIPZ-JXMROGBWSA-N	306.318	1.298	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)/C=C\c1ccc2[nH]ccc2c1	492297917	JGMWJKVLTYUBMI-HYXAFXHYSA-N	309.329	1.674	50	20	DDGD	
OB(O)c1ccccc1CNC[C@@H]1CCO[C@H]1c1ccccc1	585038067	RERWGXYYNUTKHS-WMZOPIPTSA-N	311.190	1.234	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)C2CC2)CC1)c1cc2c(s1)CCC2	822201430	GMLVUYGKGCBIPI-UHFFFAOYSA-N	318.398	1.757	50	20	DDGD	
CCO[C@@H]1C[C@H](N(C)C(=O)/C(C#N)=C\c2cnn(C)c2)C1(C)C	491164171	ZNCVXWPRTYWERR-VBUBNCOFSA-N	316.405	1.989	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)c(C)c1	905096154	SBGDXGHNJVJPRD-ZLKJLUDKSA-N	317.414	1.846	50	20	DDGD	
CNC(=O)NNC(=O)[C@H]1CCCCCN1C(=O)OC(C)(C)C	495546451	SGEZGYWWHSKBRD-SNVBAGLBSA-N	314.386	1.126	50	20	DDGD	
C[C@@]1(C(=O)NCC2CCS(=O)(=O)CC2)C[C@H]1Br	820102966	LKFAPUYBUWRSMN-MWLCHTKSSA-N	324.240	1.101	50	20	DDGD	
COc1ccc(C(=O)CCCC(=O)NN(C)[C@H](C)CO)cc1	823971606	WYWHJHCZTWQWMZ-GFCCVEGCSA-N	308.378	1.392	50	20	DDGD	
C=CCC(CC=C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C	494539371	NNPUTFOURZITDY-UHFFFAOYSA-N	311.382	1.427	50	20	DDGD	
CC(C)(O)COc1ccc(NCc2ccc(B(O)O)cc2)cc1	585016680	VVKXUWPHPKDRFZ-UHFFFAOYSA-N	315.178	1.128	50	20	DDGD	
Cc1nn(C)c(C)c1CNC(=O)[C@]1(C)C[C@H]1Br	906843827	HAOMJCCQQQNBJU-ZYHUDNBSSA-N	300.200	1.827	50	20	DDGD	
Cc1cccc(Oc2ccc(S(=O)(=O)NCB(O)O)cc2)c1	585056300	SJHQWRXIDMQBDA-UHFFFAOYSA-N	321.163	1.078	50	20	DDGD	
CC(C)c1nc(CN(C)C(=O)c2ccc(B(O)O)cc2)cs1	585006238	BRZHFLCDONEYOO-UHFFFAOYSA-N	318.207	1.219	50	20	DDGD	
C[C@@H]1C[C@@H](C)CN(CCCCNC(=O)NNc2cccnn2)C1	736379915	ZONRURYGYFUUGW-ZIAGYGMSSA-N	320.441	1.861	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@H](c1ccccc1)N1CCSCC1	823964734	DVTMJGAWORJSGR-ZFWWWQNUSA-N	323.462	1.120	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)CNC(=O)OC(C)(C)C)C1(C)C	494538713	JMNLSVMEHMMRIO-LLVKDONJSA-N	313.398	1.818	50	20	DDGD	
Cc1cnn(C)c1/C=C(\C#N)C(=O)Nc1ccc(C(=O)O)cc1	491052886	XGALUXQDCFBYGN-KPKJPENVSA-N	310.313	1.972	50	20	DDGD	
CC(C)(C)OC(=O)NC1CC(=NNC(=O)NCC(F)(F)F)C1	495588704	NARCSVTWLDQFPT-UHFFFAOYSA-N	324.303	1.891	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(Cl)ccc1O	823974349	KRQDJGRRJMBMFS-SKDRFNHKSA-N	310.737	1.398	50	20	DDGD	
CCCc1nc(C)c(NC(=O)c2cccc(B(O)O)c2)s1	584978458	ZFBDULCACCZVDQ-UHFFFAOYSA-N	304.180	1.336	50	20	DDGD	
CC1(CC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)CC1	497267543	DGLJWOLCUXPQPI-UHFFFAOYSA-N	314.386	1.032	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(O)cc1	730576712	UXOAQIQVVFYXOH-LLVKDONJSA-N	310.375	1.057	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)CNC(=O)OC(C)(C)C)CC1	494555253	PMESELWQSZOQDW-UHFFFAOYSA-N	314.386	1.032	50	20	DDGD	
C[C@@H](C(=O)NNc1ccnc(F)c1)N(C)C(=O)OC(C)(C)C	497203893	PLYZEBSTFHRUET-VIFPVBQESA-N	312.345	1.919	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)N(C)C	494002152	NGSAUSSWWHBUDI-UWVGGRQHSA-N	316.402	1.228	50	20	DDGD	
O=C(/C=C\[C@H]1CCOC1)NNC(=O)CCCc1ccccc1	493763388	XWOKPNQTAVOWRX-KVPUOBJLSA-N	302.374	1.749	50	20	DDGD	
C[C@@H](C#N)Oc1ccc(/C=C(/C#N)S(=O)(=O)NC2CC2)cc1	588590393	QIPZHCJOTBPWRN-LWHXSLQUSA-N	317.370	1.924	50	20	DDGD	
Cc1cc(NNC(=O)Nc2ccc3c(c2)OCCO3)ncn1	732235214	OKHTUTQVUXGZEV-UHFFFAOYSA-N	301.306	1.705	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NNc2ccccn2)C1	831755544	JOLYGUCUKAAAHD-XYPYZODXSA-N	306.366	1.828	50	20	DDGD	
Cc1ccc(N2CCC[C@@H](NCc3ccc(B(O)O)o3)C2)cc1	585026503	HPKRCYZBIPPIAK-CQSZACIVSA-N	314.194	1.026	50	20	DDGD	
COc1cc2c(cc1F)C(=NNC(=O)[C@@H]1CCCCO1)C(=O)N2	834986320	UFZNHJYGMDVCSB-NSHDSACASA-N	321.308	1.176	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc2cnccc2c1	838103110	ZCLONJFLFMBWES-JTQLQIEISA-N	315.329	1.338	50	20	DDGD	
CC[C@H](Nc1ccccc1)C(=O)NNC(=O)[C@@H]1CCCCO1	833250698	KELTXJPZRJMBQH-KBPBESRZSA-N	305.378	1.594	50	20	DDGD	
CC(=O)N1C[C@H]2CN(C(=O)[C@@]3(C)C[C@@H]3Br)C[C@H]2C1	908370228	IMKSNEUGWJSLBM-NOHGZBONSA-N	315.211	1.097	50	20	DDGD	
O=C(COc1c(Cl)cccc1Cl)N1CC[C@H](B(O)O)C1	585073500	CENBXPOQWQJPAV-QMMMGPOBSA-N	317.965	1.448	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CC[C@H](B(O)O)C1	585066278	MSANIBYEXPWOAZ-BDAKNGLRSA-N	315.537	1.322	50	20	DDGD	
OB(O)c1ccc(CNc2ccc(F)cc2OCC2CC2)cc1	585012398	XETJDVUPMSEKIF-UHFFFAOYSA-N	315.153	1.906	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1	831005810	OXTDTCODFIRHIZ-ZHRONYKTSA-N	305.422	1.324	50	20	DDGD	
CC(C)(C)OC(=O)[C@@]1(C(=O)NNc2cnccn2)CC1(C)C	832395512	LXBWNMNDYZVNDH-HNNXBMFYSA-N	306.366	1.678	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCCO1)C(=O)NNc1ccccc1C(=O)O	833536677	UETVCGADRWEGGD-NEPJUHHUSA-N	322.361	1.802	50	20	DDGD	
CCC[C@@H](C)NC(=O)NNC(=O)c1nnc(O)c2ccccc12	915887079	OJCXLLODAJJTOY-SECBINFHSA-N	317.349	1.468	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C2CCCC2)cc2c1O[C@@H](C)C2	914843621	PRSBEVTYOACDIX-JTQLQIEISA-N	318.373	1.970	50	20	DDGD	
C[C@@H](CC(=O)NN(C)C[C@@H](C)O)C(=O)c1ccc(Cl)cc1	910152144	LYBMHBYEDBIVPG-WDEREUQCSA-N	312.797	1.893	50	20	DDGD	
O=C(NC[C@@H]1CCCC(F)(F)C1)NNC(=O)[C@@H]1CCCCO1	836443599	IBFVXIUWDDCTMD-MNOVXSKESA-N	319.352	1.711	50	20	DDGD	
C=CCOc1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)cc1	833256163	LGNFUKVFOPGZRD-CQSZACIVSA-N	304.346	1.582	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCCc3ccnc(O)c32)cn1	912621855	ISMBZSUUYUVGMN-NTUHNPAUSA-N	309.329	1.407	50	20	DDGD	
O=C(Cc1ccc(F)cc1[N+](=O)[O-])NNC(=O)C1CCCC1	844330324	XGQFWLSHOAOTPS-UHFFFAOYSA-N	309.297	1.614	50	20	DDGD	
C[C@@]1(C(=O)NNC(=S)NCC2CCC2)C[C@H]1Br	912110609	QCQKYIGXHNQYRY-LDYMZIIASA-N	320.256	1.455	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CN2CCCC2=O)c(C)cc1Cl	913733194	YWEJKLVGUYDWSS-UHFFFAOYSA-N	323.780	1.340	50	20	DDGD	
CN1C(=O)C[C@H](NC(=O)CCCC[C@@H]2CCSS2)C1=O	848047401	MILCGOQSZXFSNO-ZJUUUORDSA-N	316.448	1.574	50	20	DDGD	
C[C@H](N)[C@@H]1CN(C(=O)[C@H](Br)C(C)(C)C)CCO1	843357675	URIWKUPRFXFART-GUBZILKMSA-N	307.232	1.371	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccc(C#N)c1)C(=O)OC(C)(C)C	840322470	XWFOJJSTNVLZJB-JTQLQIEISA-N	317.345	1.297	50	20	DDGD	
CCCN1CCN(c2ccc(NC(=O)NN)cc2Cl)CC1	841081798	FZDQLMPROCFSAY-UHFFFAOYSA-N	311.817	1.867	50	20	DDGD	
COCc1cccc(CNC(=O)NNC(=O)CC(F)(F)F)c1	918067587	IEGVYAUMEJNGDY-UHFFFAOYSA-N	319.283	1.616	50	20	DDGD	
Cc1cccnc1C(F)(F)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843655893	ODCGJHHNGJLJFN-ZJUUUORDSA-N	313.304	1.054	50	20	DDGD	
COc1cc(OC)c(OC)cc1C=NNC(=O)[C@@H]1CCO[C@@H]1C	842556172	QWXGVOZTMSUPSL-ZYHUDNBSSA-N	322.361	1.588	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1cc(Cl)c2c(c1)OCO2	842553320	FCXBKXGFUKLOGN-SCZZXKLOSA-N	310.737	1.944	50	20	DDGD	
Cc1ccc(O)c(C=NNC(=O)Nc2ccc(C(=O)O)cc2)n1	743444840	XUFHXGVHIUOBMR-UHFFFAOYSA-N	314.301	1.949	50	20	DDGD	
CC(=NNC(=O)c1ccc(C)cc1O)c1cc(C(N)=O)n(C)c1	917548979	QAFYILBQNHBUFU-UHFFFAOYSA-N	314.345	1.292	50	20	DDGD	
O=C(NC[C@@H]1CNCCCO1)NNc1cc(F)c(F)cc1F	842010006	GZNNHAZBCRINQC-QMMMGPOBSA-N	318.299	1.109	50	20	DDGD	
CSSCCNC(=O)NC(C)(C)CN1CCOCC1	840368912	UCNVVHNOJCKLQB-UHFFFAOYSA-N	307.485	1.408	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C	910141441	SZXBSOWBDLSMEO-MNOVXSKESA-N	302.415	1.334	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc2c(F)cccc2[nH]1	843971762	DMEJKFIGTWMSBW-BDAKNGLRSA-N	305.309	1.493	50	20	DDGD	
Cc1c(NNC(=O)NC[C@@]2(C)CCCNC2)cccc1[N+](=O)[O-]	841969918	GGTQAUHQRJFJGW-HNNXBMFYSA-N	321.381	1.919	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1ccc(F)cc1)C(=O)OC(C)(C)C	840241236	SCTBOTSEQBLNTG-JTQLQIEISA-N	324.352	1.493	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)O	848588510	URAJTZGXXBAXSD-LDWCXNJISA-N	323.393	1.254	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)n[nH]2)o1	843974971	PUUPUBAPCBXTDI-NXEZZACHSA-N	318.333	1.164	50	20	DDGD	
O=C(NCCCO[C@@H]1CCOC1)NNc1cc(F)ccc1F	921418197	BLWFMVPSXOLDPM-LLVKDONJSA-N	315.320	1.787	50	20	DDGD	
CC(C)(C)[S@](=O)CCNC(=O)NNC(=O)C1CCCC1	741411236	IUHRIRCXOXLOPW-HXUWFJFHSA-N	303.428	1.054	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2cccc([N+](=O)[O-])c2C)no1	748669887	KDZOHYFRHBVOGV-UHFFFAOYSA-N	319.277	1.281	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CCCC(=O)C2CC2)cc1	846376590	BYYYTHKZMHUGQT-UHFFFAOYSA-N	318.373	1.995	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cn1	848353151	YGTWBXQWJQKNNN-KUKCEQTMSA-N	313.405	1.460	50	20	DDGD	
CC(C)[C@H]1CCCN1CC(=O)NNC(=O)c1cccc(C#N)c1	756486767	PVTFBDGXFAQKLO-OAHLLOKOSA-N	314.389	1.440	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccc(Br)nc1)N(C)C	754465644	LQXHBBCLXIRKRX-VIFPVBQESA-N	301.188	1.627	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)c2cc[nH]n2)[nH]c(C)c1C(C)=O	855359584	XMSDFSJLMURELZ-UHFFFAOYSA-N	317.349	1.276	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1c(F)cccc1F	854280183	QPTWZSSLSRHGFF-UHFFFAOYSA-N	317.361	1.452	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1cc(F)cc(F)c1O	757465809	XYVFVNHNMHFGRY-SECBINFHSA-N	316.304	1.562	50	20	DDGD	
C[C@]1(CNC(=O)C2CCS(=O)(=O)CC2)C[C@H]1Br	857399568	XDGOGLYMRORDHU-MWLCHTKSSA-N	324.240	1.101	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)[C@@]3(C)CC=CCC3)nc21	857124769	IBNSEQGFLJDNSH-AWEZNQCLSA-N	302.338	1.258	50	20	DDGD	
C[C@H](NC(=O)NC[C@@]1(C)C[C@H]1Br)C1(CO)CC1	923368906	GWYUZDXUDAJTRI-IQJOONFLSA-N	305.216	1.620	50	20	DDGD	
C[C@H](O[C@H](C)C(=O)NC[C@@]1(C)C[C@H]1Br)C(=O)O	856717250	DVKYXYJRWZZKNT-FBSDJGSXSA-N	308.172	1.154	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	855623429	DUMLPZZMBYJKNU-SFGNSQDASA-N	307.281	1.792	50	20	DDGD	
Cn1c(NNC(=O)c2cc(O)nc(C3CC3)n2)nc2ccccc21	857255820	WYCSHMGTPINFGD-UHFFFAOYSA-N	324.344	1.703	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@](F)(C#N)C2)C[C@@H]1Br	856903403	PIQPOALGFOHTGI-GDPRMGEGSA-N	304.163	1.807	50	20	DDGD	
COCCC(C)=NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C	853377353	OBFIRIFPTZPUGL-TZMCWYRMSA-N	308.382	1.416	50	20	DDGD	
CN(CCCCCO)C(=O)NC[C@@]1(C)C[C@@H]1Br	856953825	CXCNOLLKJNHBFC-CMPLNLGQSA-N	307.232	1.964	50	20	DDGD	
Cc1cccnc1C(=O)OCC(=O)NNC(=O)c1cccs1	750513331	MHUDFRITSQJVNV-UHFFFAOYSA-N	319.342	1.070	50	20	DDGD	
Cc1ncc(NC(=O)NNC(=O)Cc2ccc(Cl)cc2)cn1	756371897	PIJCIVSIIDQNCE-UHFFFAOYSA-N	319.752	1.834	50	20	DDGD	
O=C(Cc1n[nH]c2c1CCCC2)NNc1ncc(Cl)cn1	857358052	MTUAPQPVOSDSQT-UHFFFAOYSA-N	306.757	1.418	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc(CC#N)cc1	759037074	UYFZTRPRMOPKAE-UHFFFAOYSA-N	309.325	1.836	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cc2ccn(C(C)C)n2)nc1	759728285	AIACKTOKXSVEGL-UHFFFAOYSA-N	317.349	1.331	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCc2scnc2C)c1	858193799	LDFVRVJHPVATLD-UHFFFAOYSA-N	310.404	1.966	50	20	DDGD	
NC(=O)[C@@H]1CSCCN1C[C@H](CBr)C1CC1	859221703	XYYFNYCJCMHPDL-UWVGGRQHSA-N	307.257	1.310	50	20	DDGD	
O=C(COc1ccc(CO)cc1)NNC(=O)NC1CCCCC1	854192548	OYOSZZPFXISGEE-UHFFFAOYSA-N	321.377	1.221	50	20	DDGD	
Cc1nn(C)cc1[C@H]1CCCN1C(=O)NNC(=O)C1CCCC1	753345888	SWYAPUMMWNKGJL-CQSZACIVSA-N	319.409	1.796	50	20	DDGD	
NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1nc(C(F)(F)F)cs1	857148670	HJAMFWQNNDZZIB-WHFBIAKZSA-N	308.285	1.117	50	20	DDGD	
CNC(=S)N(C)NC(=O)COc1ccc(F)cc1Cl	854927577	BZSLNIYNURSVJK-UHFFFAOYSA-N	305.762	1.325	50	20	DDGD	
CCC(O)(CC)C(C)(C)CNC(=O)NNC(=O)CC(C)C	852475992	KAZTZIAWPGGACE-UHFFFAOYSA-N	301.431	1.940	50	20	DDGD	
Cc1onc(CC(=O)NC[C@@]2(C)C[C@@H]2Br)c1C#N	857735153	XTKIRCSNBHLSHK-CMPLNLGQSA-N	312.167	1.687	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2cccc(C(N)=O)c2)c1	755498273	GKAYNQAWBYVTRW-UHFFFAOYSA-N	311.341	1.623	50	20	DDGD	
COC(=O)c1cc(C(=O)NC[C@]2(C)C[C@H]2Br)c[nH]1	857389151	YVYRGUJWXOBNNB-SKDRFNHKSA-N	315.167	1.705	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)CC[C@]2(C)CCC(=O)N2)o1	753415894	ROTBCIGFJGWPBM-HNNXBMFYSA-N	319.365	1.562	50	20	DDGD	
CC[C@@H]1CC(=NNC(=O)Cc2cn3ccccc3n2)CCO1	756829488	QUQCUGMZMAXMAX-CQSZACIVSA-N	300.362	1.938	50	20	DDGD	
C[C@H](Cc1ccccc1)n1cccc1C(=O)NNC(=O)CO	753452275	NMAHRVNCUKDPTB-GFCCVEGCSA-N	301.346	1.045	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2cc(F)ccc2C)nn1C	850586388	QYNYYRLNZOQVCX-UHFFFAOYSA-N	319.340	1.512	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@H](C)Cc1ccc(OC)cc1	759673968	JCECFOKIOWVECR-GFCCVEGCSA-N	323.393	1.241	50	20	DDGD	
Cc1nn2cccnc2c1C(=O)NC[C@@]1(C)C[C@H]1Br	857399832	GLWASZOIBJBXNV-NOZJJQNGSA-N	323.194	1.941	50	20	DDGD	
CC[C@H](C)n1nc(NC(=O)NNC(=O)c2c[nH]nc2C)cc1C	757909801	FQIMOWYQKKMLDW-QMMMGPOBSA-N	319.369	1.661	50	20	DDGD	
CCOC(=O)N1CCC(C)(C=NNC(=O)c2cn[nH]c2)CC1	863152012	DJYUGQIPXRVDSE-UHFFFAOYSA-N	307.354	1.384	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2cccc(C3CCC3)c2)n[nH]1	869017005	WITAROSMUDQCGL-UHFFFAOYSA-N	312.373	1.989	50	20	DDGD	
CC[C@H](C)n1nc(NC(=O)NNC(=O)c2cn[nH]c2)cc1C	860879402	ARCWPVJUBLZXAI-QMMMGPOBSA-N	305.342	1.352	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)c2ccc(C#N)cc2)c(C2CC2)n1	865054546	VCCUUGHNANNRIX-UHFFFAOYSA-N	323.356	1.727	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CCCc2nc(O)ccc21	764690766	WCDIYWJSMHOIGD-UHFFFAOYSA-N	318.377	1.249	50	20	DDGD	
CCc1ncc(S(=O)(=O)NNC(=O)C2CCCC2)s1	763374655	UWQVOGUAFKYRGZ-UHFFFAOYSA-N	303.409	1.205	50	20	DDGD	
CC(C)[C@H](NC=O)C(=O)OC[C@H](CBr)C1CC1	860381970	LMGPVCZGAMAGAE-QWRGUYRKSA-N	306.200	1.721	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@H]2CCSC2)cc1	762184156	FOGIIUOBUHFZJF-JTQLQIEISA-N	308.407	1.658	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)CCc2ccccc2O)[C@@H]1C	863865858	CMLQUUFRYZQVAH-AZKPJATDSA-N	320.389	1.532	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2ccc(SC(F)F)cc2)N1	863148000	QRCLJNONLSDCKK-JTQLQIEISA-N	313.329	1.730	50	20	DDGD	
Cn1ncc2cc(C(=O)NNc3nc4ccccc4[nH]3)cnc21	768499472	GJOLVDUQTZNLKY-UHFFFAOYSA-N	307.317	1.602	50	20	DDGD	
Cc1cnc(OC(C)C)c(NC(=O)NNC(=O)c2cn[nH]c2)c1	861155677	NPMPEFGUIRRWGD-UHFFFAOYSA-N	318.337	1.367	50	20	DDGD	
Cc1ccc(C(=O)NNc2cccnn2)cc1N1CCOCC1	867355347	BJXPWWNMVHNPDZ-UHFFFAOYSA-N	313.361	1.379	50	20	DDGD	
COc1ncncc1NC(=O)NNCC(F)(F)C(F)(F)F	860775503	BXKXJRPRTBTSBH-UHFFFAOYSA-N	315.202	1.309	50	20	DDGD	
O=C1NC[C@H](COC(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)O1	869459600	GWDNAEOKDMXZOY-FNOROQBZSA-N	318.167	1.592	50	20	DDGD	
CCCn1cc(C(=O)N(C)NC(=O)OCc2ccccc2)nn1	862289435	FWTJWLOGOPUVPB-UHFFFAOYSA-N	317.349	1.602	50	20	DDGD	
O=C1NCCC[C@H]1C(=O)NNc1ccccc1OC(F)(F)F	867537325	HKBJINYJKXQYLG-MRVPVSSYSA-N	317.267	1.555	50	20	DDGD	
CCCN(NC(=O)[C@@H]1CCOC(=O)N1)C(=O)OC(C)(C)C	861678077	PHZMAWVHTDYKLG-VIFPVBQESA-N	301.343	1.163	50	20	DDGD	
O=C(CN1Cc2ccccc2C1=O)NNc1nc2ccccc2[nH]1	768512853	QCARITFJDAWIKA-UHFFFAOYSA-N	321.340	1.662	50	20	DDGD	
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=c1cc[nH]c(C)c1	862511492	REYLCLKLJFGTQE-LBPRGKRZSA-N	308.382	1.558	50	20	DDGD	
CC(=O)NNC(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C	877961514	RSCNFUVHEYHJIT-NSHDSACASA-N	301.387	1.435	50	20	DDGD	
CCCn1cc(C=NNC(=O)c2ccc(OC)cc2OC)nn1	872349078	DZOFBGQRJVFXRW-UHFFFAOYSA-N	317.349	1.469	50	20	DDGD	
Cc1ccc(Cn2nc(C)c(C=NNC(=O)CO)c2C)cc1	776779395	KFIRAUGJKNLQCO-UHFFFAOYSA-N	300.362	1.299	50	20	DDGD	
Cc1cc(C)c(/C=C\C=NNC(=O)CS(C)(=O)=O)cc1C	872393779	GLMVNGVDIONLII-LFEODQJXSA-N	308.403	1.772	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CS[C@@H]2CCCOC2)c1	779834381	RWPMLEOZVSVBNF-CYBMUJFWSA-N	319.386	1.231	50	20	DDGD	
CC[C@H](CSC)N(C)[C@H](C)C(=O)NNC(=O)CC(C)C	773705502	QDKHEQNIRVESRU-VXGBXAGGSA-N	303.472	1.642	50	20	DDGD	
Cc1ccc(C)c2c1OCCC2=NNC(=O)N1CCOCC1	1115910296	BFUFKLLHDXMPCQ-UHFFFAOYSA-N	303.362	1.832	50	20	DDGD	
O=C(CN1CCOC1=O)NNc1ccccc1C(F)(F)F	873925738	WAHPKEUFIFSWCL-UHFFFAOYSA-N	303.240	1.601	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CCc2cnc[nH]2)c1	873757339	WRLUGZZCGJZMSB-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
C=CCOCC(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874950764	GXLAXCMADFAAKY-UHFFFAOYSA-N	308.407	1.273	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)Cc1c(C)cc(C)cc1C	772238213	JCVVILVPLHXFKM-ZDUSSCGKSA-N	320.389	1.643	50	20	DDGD	
O=C(CN1CCC(F)(F)C1)NNC(=O)c1ccccc1Cl	776607668	HIMHJLCMKAFHDA-UHFFFAOYSA-N	317.723	1.442	50	20	DDGD	
CCOCC(=O)COC(=O)/C(C#N)=C\c1cccc(OC)c1	777039993	KTIBFSWKKZUMTP-QPEQYQDCSA-N	303.314	1.751	50	20	DDGD	
CCOc1ncccc1CNC(=O)NNc1cccc(OC)n1	779970369	GBICLTHLCYCXDZ-UHFFFAOYSA-N	317.349	1.710	50	20	DDGD	
CNC(=O)NNC(=O)c1cccn1[C@H](C)Cc1ccccc1	773280738	GKBWHMPJNOXLNX-GFCCVEGCSA-N	300.362	1.866	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(Cl)cc1F)[C@@H](C)S(C)(=O)=O	885106665	FDDHOFGPKDMHBY-HTQZYQBOSA-N	322.789	1.991	50	20	DDGD	
O=C(NNc1cccc(C(F)(F)F)c1)C1(O)CCOCC1	773456656	XKBRKZJWYDUGIR-UHFFFAOYSA-N	304.268	1.690	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cn1cc(-c2ccccc2)c(C)n1	887147798	BWIYCAYHFNWFSS-UHFFFAOYSA-N	324.384	1.809	50	20	DDGD	
CCCC[C@@H](NC(N)=O)C(=O)NNc1ccc(F)c(F)c1	885111032	QZHPPRQEDLRMJU-LLVKDONJSA-N	300.309	1.635	50	20	DDGD	
C[C@@H](OC1CCCCCC1)C(=O)NNC(=O)c1cccnn1	882058010	LLIRASAOBQOHIX-LLVKDONJSA-N	306.366	1.366	50	20	DDGD	
O=C(NN=Cc1cc(O)cc(Br)c1O)C(F)F	782236975	FVLDWLNGZABIID-UHFFFAOYSA-N	309.066	1.576	50	20	DDGD	
C#CCn1ccc(CN(CC)S(=O)(=O)CCCCl)n1	882137257	CPTQLFADSPAQBY-UHFFFAOYSA-N	303.815	1.297	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)[C@@H]1CCCN1C1CC1	787288473	MLDSZCCMMRPTSO-LBPRGKRZSA-N	314.349	1.202	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cnn(C(C)(C)C)c1CC	887142112	WPQAJNLHHFYZRP-UHFFFAOYSA-N	304.394	1.765	50	20	DDGD	
Cn1nnc2c1C[C@@H](C(=O)NNc1cc(F)ccc1F)CC2	885141933	QKZRWTATGDUMJB-QMMMGPOBSA-N	307.304	1.342	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCCNC(=O)c1ccsc1	887139574	VNJRIGGIHQRXBM-UHFFFAOYSA-N	321.402	1.209	50	20	DDGD	
CCn1cnc2c1CCN(C(=O)[C@@]1(C)C[C@@H]1Br)C2	886611573	IGRQCLHDHKPOHU-AAEUAGOBSA-N	312.211	1.961	50	20	DDGD	
COC1CCC(=NNC(=O)[C@H]2COc3ccccc3O2)CC1	783787743	DESSPWWIMKQSBT-WPZCJLIBSA-N	304.346	1.888	50	20	DDGD	
CO[C@H]1CCCN(CC(=O)NNC(=O)c2cccs2)CC1	783018796	QXTBVSVIVCMCSX-NSHDSACASA-N	311.407	1.010	50	20	DDGD	
CN(C)c1cc(C(=O)NN=C2CCc3cc(O)ccc32)ccn1	780225929	ZXTTVUVWQCFTCM-UHFFFAOYSA-N	310.357	1.934	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)[C@H](C)C2(C)C)n[nH]1	780976237	MWKQPDFVRAZUMW-UWVGGRQHSA-N	306.366	1.121	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccc2cc[nH]c2n1	782854867	VSMXRXWEBCQEKA-UHFFFAOYSA-N	324.340	1.575	50	20	DDGD	
COCC(=O)NNC(=O)Nc1noc(-c2ccccc2F)c1C	788843578	VVMJJWFZIBJJQS-UHFFFAOYSA-N	322.296	1.588	50	20	DDGD	
CCn1cccc(CNC(=O)NNc2ncccc2C)c1=O	789841752	NZLPTXJAFRXVFQ-UHFFFAOYSA-N	301.350	1.398	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCc2ccco2)cc1O	785409486	DAUYSHQBDHYRKI-UHFFFAOYSA-N	300.274	1.001	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1	780709931	UQBBNTNCAVTCQW-UHFFFAOYSA-N	305.294	1.382	50	20	DDGD	
O=C(O)[C@@H]1CCC(=NNC(=O)N2CCOCC2)c2ccccc21	789001427	YIKCDXKTGHJHGQ-CYBMUJFWSA-N	317.345	1.395	50	20	DDGD	
CC(C)N1CC[C@H](CNC(=O)NNc2ncncc2Cl)C1	780999191	AJYLHNHXCPWZEX-SNVBAGLBSA-N	312.805	1.486	50	20	DDGD	
COc1cccc(NNC(=O)Nc2cccc([S@@](C)=O)c2)n1	780578356	WNZIHRSDHHYDJJ-JOCHJYFZSA-N	320.374	1.976	50	20	DDGD	
CCSc1ccc(CNCc2ccc(B(O)O)cc2)cc1	895526249	KABVCFLAUWSTDQ-UHFFFAOYSA-N	301.220	1.768	50	20	DDGD	
Cc1ccc(F)cc1C(=O)C(=O)NNC(=S)NC(C)(C)C	899996518	WRPHEXUCLXWNNZ-UHFFFAOYSA-N	311.382	1.611	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNc1ncncc1Cl	790949933	LELQQNGARNCSGB-UHFFFAOYSA-N	307.741	1.989	50	20	DDGD	
O=C(COC/C=C/c1ccccc1)NNc1nc2ccccn2n1	791243626	SXNWBDLGZQNAII-RMKNXTFCSA-N	323.356	1.902	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)n1	792302511	HXBSWZMWNSFZGL-CQSZACIVSA-N	321.340	1.787	50	20	DDGD	
CC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccnc(O)c1	790282601	WSBRRTQMXGXHHU-UHFFFAOYSA-N	300.274	1.849	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ncoc2[C@@H]2CCCO2)n1	1318577137	KZMCWWZATSVDNM-JTQLQIEISA-N	303.322	1.690	50	20	DDGD	
O=C(CNC(=O)c1cc(Cl)ccn1)NNc1ccccc1	1318404710	WOPDCORNZPEKQT-UHFFFAOYSA-N	304.737	1.608	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](C)c1ccc(Cl)c(F)c1	1319890710	QGNCZFFSBBMARU-MRVPVSSYSA-N	317.748	1.907	50	20	DDGD	
CC(C)OCCCC(=O)NNC(=O)c1n[nH]c2c1CCCC2	1320171911	NBQKPUWXRUJHDM-UHFFFAOYSA-N	308.382	1.255	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)NOC[C@@H]1CCOC1	1320649836	QOUZJZLEMKCBEQ-SECBINFHSA-N	313.741	1.252	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1cnn(-c2ccccc2)c1C	1323495568	GFYSBKZOUUGWHR-UHFFFAOYSA-N	300.318	1.194	50	20	DDGD	
CC(=NNC(=O)CCN1CCC(C)CC1)c1ccc(N)nc1	1327802915	UZXNHLUHJFZKOB-UHFFFAOYSA-N	303.410	1.626	50	20	DDGD	
COC(=O)C(=O)NN=C1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-]	1320139548	GJJGBCZJKFMXJW-SNVBAGLBSA-N	319.317	1.583	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cncc(OCC(F)F)c1	1322739804	VTWREOQCJOXPLP-UHFFFAOYSA-N	315.320	1.923	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccn(-c2ccncc2)n1	1343810395	BHLKSTXJINTHQI-UHFFFAOYSA-N	320.316	1.067	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C(C)(C)Oc2ccccc2)n[nH]1	1348727007	CWURCHANIWSCOP-UHFFFAOYSA-N	316.361	1.266	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2CCC[C@H]2OC)c1	1262674547	CXXHBOUIGNJTCS-UONOGXRCSA-N	322.361	1.280	50	20	DDGD	
Cc1cccc(NNC(=O)NCCC(=O)N2CCC[C@H](C)C2)n1	1351577591	FHDRKWAYZPIDKX-LBPRGKRZSA-N	319.409	1.665	50	20	DDGD	
CC(F)(F)C1(C(=O)NNC(=O)Cc2cn3ccccc3n2)CC1	1350842161	AVNUSKHEOZAHHJ-UHFFFAOYSA-N	322.315	1.460	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1coc(-c2nn[nH]n2)c1	1606862188	XGUFUOBJUFYZEH-UHFFFAOYSA-N	322.288	1.160	50	20	DDGD	
Cc1cncc(C(=O)N(c2nc(CC(=O)O)cs2)N(C)C)c1	1600627696	YNNFMWVBTPYKJK-UHFFFAOYSA-N	320.374	1.597	50	20	DDGD	
O=C(NNC(=O)C(=O)O)N[C@@H](c1ccc(F)cc1)C1CCC1	1608476897	BGALESSRRBROBO-LLVKDONJSA-N	309.297	1.082	50	20	DDGD	
Cn1nc2c(c1C(=O)NNc1ccccc1C(=O)O)CCCC2	1608151933	ZOSIGHYZFITIJS-UHFFFAOYSA-N	314.345	1.754	50	20	DDGD	
CC(=NNC(=O)OC(C)C)c1ccc(-c2nn[nH]n2)cc1F	1602906295	JXUIBUBUPJJXDB-UHFFFAOYSA-N	306.301	1.864	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NN=C1CCC[C@H](C(=O)O)C1	1610678466	CSRLQLBSYXMTNB-NSHDSACASA-N	314.345	1.783	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2ccc(C(=O)O)o2)c1	1610104418	ULUUYDPPUWUCAG-UHFFFAOYSA-N	317.301	1.119	50	20	DDGD	
O=C(NN=CC(F)(F)C(F)(F)F)[C@H]1CN2CCC[C@H]2CO1	1549903608	AQCLQSWGVKULLL-JGVFFNPUSA-N	315.242	1.149	50	20	DDGD	
CC#CC[C@H](N)C(=O)NNC(=O)Nc1cc(OC)ccc1Cl	1574972102	KMGFECKQFFDGQS-NSHDSACASA-N	324.768	1.242	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNc1ncccc1C(=O)O	1589168573	HZADBSIDYVWZKR-VIFPVBQESA-N	319.292	1.830	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CC)C2	1841666918	XYEFPRNVZIZCLL-RYUDHWBXSA-N	316.829	1.368	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cn[nH]c1)C2	1841667907	JZSXUGBAYGAKOP-LBPRGKRZSA-N	324.812	1.634	50	20	DDGD	
COC(=O)N[C@@H](CC(C)C)C(=O)NNc1ccccc1C(=O)O	1598885305	YBMYKHODOOELNT-LBPRGKRZSA-N	323.349	1.599	50	20	DDGD	
C[C@@H]1[C@H](C(=O)O)CCN1C(=O)NC[C@@]1(C)C[C@H]1Br	1594151822	ZKYKLFRTQQCYFW-MFYTUXHUSA-N	319.199	1.665	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)[C@@H]1CC2CCC1CC2	1593164518	KEOICZIPOMSLIT-RTYFJBAXSA-N	313.365	1.531	50	20	DDGD	
CC(=NNC(=O)c1cnsn1)c1ccc(C(=O)O)c(F)c1	1776104886	DREFZVFOJJICMN-UHFFFAOYSA-N	308.294	1.529	50	20	DDGD	
CCC(CC)CC(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12	164270362	PEIZDYSWCCINJL-UHFFFAOYSA-N	316.361	1.510	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])s1	153210375	NLNAAFVPADDABL-UHFFFAOYSA-N	309.263	1.716	50	20	DDGD	
O=C(C[C@@H]1COC(=O)C1)NNc1ccccc1Br	153636916	JYVVCIUUQOZEHC-QMMMGPOBSA-N	313.151	1.845	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNc1ccc(C#N)cc1	155593066	OPHXTCFBKAGNOW-CQSZACIVSA-N	300.362	1.792	50	20	DDGD	
O=S(=O)(NCC[C@H](O)C1CC1)c1ccc(CCCl)cc1	908309515	ZJFNAHQHECGXHF-AWEZNQCLSA-N	317.838	1.907	50	20	DDGD	
O=S(=O)(c1ccc(CCl)cc1)N1C[C@H]2CC[C@H]1[C@H](O)C2	919956456	PCIKWZAWFAWOQS-FPMFFAJLSA-N	315.822	1.959	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)c1ccc(F)cc1	7593715	PSEHHTMUAXSAFM-UHFFFAOYSA-N	306.268	1.805	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)C(=O)N1CCCC1)C1CCCCC1	101515848	DJUWMEDKPZIFLP-GFCCVEGCSA-N	309.410	1.363	50	20	DDGD	
O=C(CCCNC(=O)c1ccc(F)cc1)NNc1ncccn1	55214780	DZDPZKUXWCDLNO-UHFFFAOYSA-N	317.324	1.269	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc(C#N)c2)cc1[N+](=O)[O-]	103403395	HZQUIEXTJIRCDO-UHFFFAOYSA-N	324.296	1.850	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(CC)Cc1c(F)cccc1F	109836089	DBNPMGPIQMXCLW-JTQLQIEISA-N	313.348	1.733	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)CC1CCCC1)NC(=O)C1CCCC1	170731315	ZNBDRECPGSICRD-LBPRGKRZSA-N	323.437	1.799	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cnn(C(C)(C)C)c2C)n1	174499362	YAMUNUPTHWYPGN-UHFFFAOYSA-N	318.381	1.810	50	20	DDGD	
O=C(NNc1cccc(Cl)c1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1	178100806	FDIXPGGUWOBVJX-SECBINFHSA-N	319.752	1.559	50	20	DDGD	
CCCCO[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccc[nH]2)C1(C)C	175915398	UMAFEHGJBUITKD-OLZOCXBDSA-N	322.409	1.943	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cnn(C)c1)c1ccccc1Cl	117955557	GMTGBHLJKXPCQA-VIFPVBQESA-N	321.768	1.779	50	20	DDGD	
Cc1ccc2nc(CSCC(=O)NNC(=O)N(C)C)cn2c1	114683309	UMXDQLQNQSOMAI-UHFFFAOYSA-N	321.406	1.178	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@H]2OCCc3ccccc32)c1	119566513	VVKWZWVTOYRVGZ-INIZCTEOSA-N	321.336	1.633	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C1[C@H]2CCC[C@H]12	177594184	OPUCLSRXMVDYGS-RYUDHWBXSA-N	318.373	1.658	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCc1nc(C)no1)c1ccccc1	110340801	HUKSWLQJDWSGOX-CYBMUJFWSA-N	316.361	1.652	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(F)cc2)CCS1	171698939	BJKMNGQQZWVXAT-SNVBAGLBSA-N	311.382	1.024	50	20	DDGD	
NC(=O)COc1ccc(C(=O)NNc2ncccc2Cl)cc1	114886479	CASLAOVMSMJMEI-UHFFFAOYSA-N	320.736	1.356	50	20	DDGD	
Cc1ccc(C#N)cc1NC(=O)C(=O)NNc1ccc(C#N)cc1	119672472	FFBINHGBDIXAOP-UHFFFAOYSA-N	319.324	1.820	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](CCO)c1ccc(OC)cc1	179105688	VOBSQJLMCDDGHE-FQNOHDAGSA-N	304.346	1.679	50	20	DDGD	
CCCN1CCC[C@H]1C(=O)NNC(=O)NCCc1cccs1	124971141	OUTZLTAUMOEPRB-ZDUSSCGKSA-N	324.450	1.495	50	20	DDGD	
CCc1n[nH]c(=O)c(C(=O)NNc2ncccc2Cl)c1CC	128974101	JVARCBLCQJFSSP-UHFFFAOYSA-N	321.768	1.700	50	20	DDGD	
Cc1cc(NNC(=O)c2c[nH]c3ccccc3c2=O)nc(C)n1	128653773	OAJDPULEBWNOGA-UHFFFAOYSA-N	309.329	1.692	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C(C1CC1)C1CC1	126716674	KXGDHKDPAPZCFP-UHFFFAOYSA-N	302.374	1.821	50	20	DDGD	
O=C(CC1CCOCC1)NNc1nnc(-c2ccccn2)s1	188207222	OIEAXWCGXYMGQN-UHFFFAOYSA-N	319.390	1.860	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cnn(C(C)C)c1	189498964	HJMVEAPIPSWGAD-UHFFFAOYSA-N	316.361	1.476	50	20	DDGD	
COc1ccc(C(=O)NNc2ncc(F)cn2)cc1[N+](=O)[O-]	123064139	LQPDAYOPMCEEOH-UHFFFAOYSA-N	307.241	1.289	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)COc1ccc(C#N)cc1)C1CCC1	127778841	LDTVVVFFQLMGRB-LLVKDONJSA-N	316.361	1.456	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNc2cc(F)c(F)cc2F)C1	127080242	ICHXYVDDTFFFOZ-QMMMGPOBSA-N	315.295	1.806	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)NC1CCN(C2CC2)CC1	180381697	FYGVQXONBXRZJB-UHFFFAOYSA-N	309.801	1.988	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ccc(F)cc2C)n(C)n1	189179158	ZRKYOLPVUFXVRF-UHFFFAOYSA-N	305.313	1.258	50	20	DDGD	
O=C(C[C@H]1C=CCCC1)NNC(=O)[C@H]1COc2ccccc2O1	186039289	CLELTFJDRHSLML-SWLSCSKDSA-N	316.357	1.720	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H](C)c2nncn2C)cc1	79465197	BKBPLQPJYTZDNZ-SNVBAGLBSA-N	316.365	1.083	50	20	DDGD	
CCc1noc(CC)c1CNC(=O)NNC(=O)c1ccc[nH]1	133030841	PZZJJXFYRKJZFE-UHFFFAOYSA-N	305.338	1.272	50	20	DDGD	
CCOC(=O)NNC(=O)CSc1ccc2c(c1)OCCO2	48089676	GQKFKCMAJROGNE-UHFFFAOYSA-N	312.347	1.327	50	20	DDGD	
CCN(C)[C@@H](C(=O)NNc1nccnc1OC)c1ccccc1	132099933	LTAVULKLDWFHHQ-CYBMUJFWSA-N	315.377	1.621	50	20	DDGD	
O=C(COc1ccc(C(F)(F)F)cc1)NNC(=O)C1CC1	44278803	MJGOCVLDYWUJCL-UHFFFAOYSA-N	302.252	1.642	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CC[C@@H](OCc2ccncc2)C1	194325270	URZOOGYSRHEXGQ-OKFGHLOFSA-N	301.346	1.643	50	20	DDGD	
CC(=O)NNC(=O)c1cc(-c2ccco2)nn1-c1ccccc1	192562800	CAJOYCCBYMFESN-UHFFFAOYSA-N	310.313	1.913	50	20	DDGD	
C[C@@H](N)[C@@H](C)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	192052008	GGHDOECCHQISMR-HTQZYQBOSA-N	309.757	1.816	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@H]1CCOc2ccccc21	191898593	JHXNACASNITIIX-LBPRGKRZSA-N	309.329	1.739	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Cc1cn2ccccc2n1	192776847	KYLHOXJHSZLXMQ-UHFFFAOYSA-N	308.341	1.646	50	20	DDGD	
CC[C@H](C)n1ncc(C(=O)NNC(=O)CN(C)C)c1C1CC1	89814626	QYAZCACMFREEQV-JTQLQIEISA-N	307.398	1.054	50	20	DDGD	
CCn1cc(NC(=O)NNc2nc(C)cc(C)n2)ccc1=O	146145457	LQIFYUBCWJYZRS-UHFFFAOYSA-N	302.338	1.424	50	20	DDGD	
Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NN)cc2)ccc1F	194120393	YBLOTUUZGZYDPW-UHFFFAOYSA-N	323.349	1.538	50	20	DDGD	
O=C(COc1ccc(F)cc1F)NNC(=O)Cc1ccncc1	81024667	HDABZUPNPNDGCS-UHFFFAOYSA-N	321.283	1.129	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)c2cccn2C)cc1C	97132660	HHOBYQNMSLBDNR-UHFFFAOYSA-N	315.373	1.872	50	20	DDGD	
CC(=O)NNC(=O)c1nc(C(C)C)n(-c2cccc(F)c2)n1	265454195	XJXSQOPNTAHRTM-UHFFFAOYSA-N	305.313	1.311	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C(=O)C(C)(C)C)c1	266789092	OZRBLIKNFUZFGL-UHFFFAOYSA-N	306.362	1.445	50	20	DDGD	
COC(=O)CSCCC(=O)NNc1ccc([N+](=O)[O-])cc1	269629540	TZUWWSCLGWFJPN-UHFFFAOYSA-N	313.335	1.334	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN(Cc2ccccc2)C1)C1CCC1	264829635	YVMDQNVJEJMOGS-INIZCTEOSA-N	315.417	1.846	50	20	DDGD	
CC(C)(C)c1nc(CC(=O)NNC(=O)c2ccccn2)cs1	263778292	NLDYYFZKWCIBCE-UHFFFAOYSA-N	318.402	1.839	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCCOCCOC)c1ccccc1	264699890	GOJIHIZJAZYPSD-CQSZACIVSA-N	323.393	1.174	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=S)Nc1ccc(OC)nc1	269802228	BSTJWSHNRRFFRO-SECBINFHSA-N	312.395	1.223	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)N[C@@H]1CCCSC1	267297427	JSZYENKADRANKU-GFCCVEGCSA-N	311.382	1.594	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2(C)COC(C)(C)OC2)s1	270955681	PSFFIKNTCRBMFQ-UHFFFAOYSA-N	312.391	1.607	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2nc3ccccc3c(=O)n2C)CCO1	271864985	MILSVRBKABOOGY-QWRGUYRKSA-N	316.361	1.192	50	20	DDGD	
COC(=O)CCc1ccc(NC(=O)NNC(=O)C(C)(C)C)cc1	271344268	GRDJHXNMXAEHMD-UHFFFAOYSA-N	321.377	1.991	50	20	DDGD	
CNC(=O)c1cccc(NC(=O)[C@@H](C)N2CC=C(C#N)CC2)c1	272618667	IMHYMZNQDXHJON-GFCCVEGCSA-N	312.373	1.529	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CC(C)C)cc1NC(C)=O	273308970	HJJCGBTXCGGCLI-UHFFFAOYSA-N	322.365	1.852	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNc1cccc(C(=O)OC)c1	272852061	SEJXZRZJYJWJOL-UHFFFAOYSA-N	321.377	1.565	50	20	DDGD	
Cc1nn(C)c2c1N(S(=O)(=O)CCCCCl)CCO2	275689610	DGSIVWWGXMQUMW-UHFFFAOYSA-N	307.803	1.276	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccc(-c2ncn(C)n2)c1	368366567	FSHITIPGODZCDG-UHFFFAOYSA-N	304.310	1.265	50	20	DDGD	
Cc1c(NNC(=O)C(=O)N2CCC[C@H](C)C2)cccc1[N+](=O)[O-]	278344101	FWLSGKZCBLPHCV-JTQLQIEISA-N	320.349	1.605	50	20	DDGD	
Nc1nc(C2CCCC2)ncc1C(=O)NNC(=O)C1CCC1	287385962	IWUDSPWIXJUUMO-UHFFFAOYSA-N	303.366	1.278	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C[C@@H]1CCCC(=O)N1)c1ccccc1	289537954	CIFVMFZRWHKPMG-KBPBESRZSA-N	317.389	1.386	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H](NC(N)=O)C(C)(C)C)cc1	282711111	POHPBFKJBQFCCX-GFCCVEGCSA-N	320.393	1.093	50	20	DDGD	
CSSCCNC(=O)NCc1ncnn1C(C)(C)C	284320568	VUHKNVSJDRXKCC-UHFFFAOYSA-N	303.457	1.844	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)Nc1cccc(Cl)c1	283764849	NTUFNDPZYQBFMX-VHSXEESVSA-N	311.725	1.302	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(C(C)(C)C#N)cc2)[nH]n1	281059812	CILGYTYYHLLQKK-UHFFFAOYSA-N	311.345	1.594	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNC(=O)Nc1ccccc1C	281355902	VVEGOGKXCWYENB-LBPRGKRZSA-N	309.366	1.589	50	20	DDGD	
COCCN(C)NC(=O)CCCC(=O)Nc1ccccc1C#N	288552079	YURLQYSHIZMRJE-UHFFFAOYSA-N	318.377	1.276	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccncn1	295554894	UHNUEOLPNIENEQ-JQWIXIFHSA-N	323.397	1.859	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1ccc2c(n1)CCC2	296798486	MKESTAAHMWLUHD-UHFFFAOYSA-N	311.345	1.361	50	20	DDGD	
COc1ccc(CCCC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	294078126	CGGTYDTZPDLNLP-WFASDCNBSA-N	320.389	1.733	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cccnc1F	806341269	DFETWNDXPNSZFM-UHFFFAOYSA-N	312.304	1.706	50	20	DDGD	
CCOc1ncccc1NC(=O)C(=O)NNc1cccc(F)n1	807391872	NQFMBBQDRHBRPJ-UHFFFAOYSA-N	319.296	1.096	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CNC(=O)NNc1ncncc1F	292959990	HLIRSZSFSNFFIR-SSDOTTSWSA-N	308.317	1.650	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H](F)C(F)(F)F)c1	290023733	POKQLPOTGYGEAL-NSHDSACASA-N	322.258	1.730	50	20	DDGD	
CN(C)c1cccc(CCC(=O)NNC(=O)[C@H]2CCCCO2)c1	295396426	LYUGNCPBVQTSJH-OAHLLOKOSA-N	319.405	1.402	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)c2ccc(O)c(O)c2)[C@H]1SC	807986528	LDBNVFHADXRBRF-CHWSQXEVSA-N	310.375	1.724	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)[C@@H]1CCCCO1)c1ccc2c(c1)OCO2	295665133	WJVBZUVFSUAERW-MFKMUULPSA-N	320.345	1.235	50	20	DDGD	
Cc1ccc(-n2cc(C(=O)NNc3ncccc3F)nn2)cc1	804215967	AUMDOKGTLPSNTP-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)c1cccc(O)n1	801638982	CCEUDAJMXVMZFD-UHFFFAOYSA-N	319.342	1.046	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802118965	SDCLYKILMWVEJJ-QWHCGFSZSA-N	306.366	1.330	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H](O)c1ccc(Cl)cc1	813574455	ZBLIBWJRRLLGQJ-LBPRGKRZSA-N	320.736	1.043	50	20	DDGD	
CCCC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccn1	814782461	WJNMYPCKJLBECU-LLVKDONJSA-N	309.391	1.137	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@@H](O)c1ccc(Cl)cc1	813530131	HUVBGEDNGAAOKM-JTQLQIEISA-N	313.144	1.960	50	20	DDGD	
CC(C)OC1CC(=NNC(=O)COc2ccc(C#N)cc2)C1	814722367	WRJFGSOFLBXOON-UHFFFAOYSA-N	301.346	1.997	50	20	DDGD	
O=C(O)CCCNC(=O)NNC(=O)c1cc2c(s1)CCC2	819443213	PUKSAGPVNZPVAJ-UHFFFAOYSA-N	311.363	1.046	50	20	DDGD	
COc1cccc(O)c1C=NNC(=O)Cc1csc(C)n1	812488353	WNSJSIYAPIHFMO-UHFFFAOYSA-N	305.359	1.859	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NN=Cc2c(C)nn(C)c2N)c1	814720468	KBAHXRFEVXTGGF-UHFFFAOYSA-N	315.377	1.457	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cccc(C#N)n1)c1ccccc1	810378826	IEUAVWJLPQZOHW-AWEZNQCLSA-N	308.341	1.908	50	20	DDGD	
O=C(CCc1cccnc1)NNc1nc(-c2cccnc2)no1	728075458	CJUVSVMLVWYESM-UHFFFAOYSA-N	310.317	1.603	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccc(C#N)c2)c(O)c1	728827835	ZXPROHZEIUQQRY-UHFFFAOYSA-N	311.297	1.347	50	20	DDGD	
CCCn1nccc1C(=O)NNC(=O)c1ccccc1OC	827006021	KELJMWQTGSMOKQ-UHFFFAOYSA-N	302.334	1.377	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)c1ccc(-c2nn[nH]n2)[nH]1	826446490	NNDVXFUVJGPFQB-UHFFFAOYSA-N	304.701	1.000	50	20	DDGD	
CC1(C(=O)NNc2nc(-c3cccnc3)no2)CCOCC1	728075392	ZUPCMYKZKDKAIW-UHFFFAOYSA-N	303.322	1.391	50	20	DDGD	
CCOC(=O)N[C@@H](C(=O)NNc1cccc([N+](=O)[O-])c1)C(C)C	496405477	YZKCHMDUVJXKHB-GFCCVEGCSA-N	324.337	1.809	50	20	DDGD	
COc1ccc([C@H](C)NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	825808389	VKGVZFPTXYNPTD-COPLHBTASA-N	321.377	1.512	50	20	DDGD	
CCCN(NC(=O)[C@@H](C)CS(C)(=O)=O)C(=O)OC(C)(C)C	495759845	MURQCXMEIJVHDL-JTQLQIEISA-N	322.427	1.345	50	20	DDGD	
O=C(/C=C/C1CCCC1)NNC(=O)Cc1cn2ccccc2n1	493480097	KCCZPNYCVJBIFT-CMDGGOBGSA-N	312.373	1.771	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1cccc(-c2ccccc2)c1	495797090	AMTAHFCXUKRJGN-UHFFFAOYSA-N	313.313	1.679	50	20	DDGD	
COC(=O)NNC(=O)c1c[nH]cc1-c1ccc2c(c1)OCCO2	495448430	ODGUHWFNRYKFSB-UHFFFAOYSA-N	317.301	1.454	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccc(N2CCOC2=O)cc1	490561043	SZRWZQPBBZYEDT-UHFFFAOYSA-N	317.345	1.594	50	20	DDGD	
C[C@H]1CCc2c(F)cccc2[C@H]1NCc1ccc(B(O)O)cc1	585027327	ZXAJDXRNQXRLGF-SGTLLEGYSA-N	313.181	1.919	50	20	DDGD	
OB(O)c1ccc(CNCc2ccn(C3CCCC3)n2)c(F)c1	585027949	BHUMUGRSAOAJKY-UHFFFAOYSA-N	317.173	1.107	50	20	DDGD	
CCN(CCO)NC(=O)c1cc2cnn(C(C)C)c2nc1C	823842384	RSAMQVVPNRSTIL-UHFFFAOYSA-N	305.382	1.280	50	20	DDGD	
CCCCC[C@H](O)C(=O)NNc1ccc(S(C)(=O)=O)cc1	827506469	SKPFODNKUYLMBX-ZDUSSCGKSA-N	314.407	1.474	50	20	DDGD	
COC[C@@H](SCC(=O)NNC(=O)C(C)C)c1ccccc1	901665369	UWHCUSSVKPMADX-CYBMUJFWSA-N	310.419	1.911	50	20	DDGD	
Cc1nnnn1-c1cc(NC(=O)NN(C)C2CC2)ccc1F	824160624	NCNBVPOGGLQFAR-UHFFFAOYSA-N	305.317	1.241	50	20	DDGD	
CC[C@H](C)N1CCN(C(=O)/C(C#N)=C\c2cnn(C)c2)CC1	491163249	VTQQEOJDXSYMCB-GRRFOWRYSA-N	301.394	1.270	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](c2ccccc2C)C1	732198785	FDTVKVYPNWIIFA-KBPBESRZSA-N	303.406	1.730	50	20	DDGD	
C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ccc(B(O)O)cc1	584989500	FHFMMBBCIGGCFI-TZMCWYRMSA-N	303.211	1.653	50	20	DDGD	
Cc1ccc(Cl)c2c1NC(=O)C2=NNC(=O)c1cnn(C)c1	735411942	CNOIJXFXDKCIHZ-UHFFFAOYSA-N	317.736	1.468	50	20	DDGD	
O=C(CCC1CCCCC1)NNC(=O)c1cccc(C(=O)O)n1	739235557	NQCHCZGLXGIKCK-UHFFFAOYSA-N	319.361	1.901	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1CNC(=O)NNC(=O)Cc1cccnc1	836278599	JGUSWRGKORGRIT-ZIAGYGMSSA-N	304.394	1.781	50	20	DDGD	
O=C(COC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12)NNC(=O)c1ccccc1	838140354	ZPKINMXADVTQND-HZSPNIEDSA-N	316.357	1.427	50	20	DDGD	
O=C(NNc1cccc(Br)n1)[C@H]1C[C@@]12CCOC2	837211916	MGBRAKXLFGKBGM-PRHODGIISA-N	312.167	1.714	50	20	DDGD	
COC(=O)NNC(=O)Nc1nnn(Cc2ccccc2F)c1C	495591277	WDQCKCJMSMSPNV-UHFFFAOYSA-N	322.300	1.166	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccnc(Br)c1	836695410	PIWPMNKLVIGGKS-UHFFFAOYSA-N	317.143	1.033	50	20	DDGD	
CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	908050372	WBVQRBYWPSPHEB-RDDDGLTNSA-N	301.293	1.525	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@@H]1CCCC(F)(F)C1	838522418	GEHSHXJSDBUZCG-ZJUUUORDSA-N	305.325	1.464	50	20	DDGD	
CC(C)NC(=O)OC[C@H]1CCCCN1S(=O)(=O)CCl	831528072	KWNDNXXCQISRCF-SNVBAGLBSA-N	312.819	1.502	50	20	DDGD	
CC[C@H](COC)NC(=O)NNc1cccc(C(=O)OC)c1F	838487427	YNHTWVOZSVDRNW-SECBINFHSA-N	313.329	1.663	50	20	DDGD	
Cc1nc(C(=O)NNc2cnccn2)nn1-c1ccc(F)cc1	734242575	LFLIVNKMCIJJTI-UHFFFAOYSA-N	313.296	1.262	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCCOc3ccc(F)cc32)cc1	585019048	ZZRNZIQVCWMGQC-MRXNPFEDSA-N	315.153	1.509	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)Cc1ccccc1F	731849230	VKVRSQPOFMNIOB-GFCCVEGCSA-N	309.385	1.840	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)CSc2ccc(Cl)cc2)[nH]1	732257423	NZLUYBAQMRWIKU-UHFFFAOYSA-N	324.793	1.925	50	20	DDGD	
COc1cc(C=NNC(=O)C2CCC2)c([N+](=O)[O-])cc1OC	731934330	WBFDILODBJXXOA-UHFFFAOYSA-N	307.306	1.862	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2c(C)nn(C(C)C)c2C)n[nH]1	901165470	ZSLXKJLXWCFDJR-UHFFFAOYSA-N	302.382	1.805	50	20	DDGD	
CC(=O)NNC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1	730271533	AFXXXTXCYZTMBP-UHFFFAOYSA-N	313.144	1.960	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)c1ccccc1	837411823	YRQMTMOZRJEDDP-ZGKBOVNRSA-N	314.385	1.943	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cccc(-n2cccn2)c1	833250786	LWARXCMWIZOLHE-AWEZNQCLSA-N	314.345	1.202	50	20	DDGD	
C[C@@H]1CC[C@@H](NC(=O)NNC(=O)Nc2ccc3c(c2)OCO3)C1	836414869	BXAYTDPTQNHQIO-NXEZZACHSA-N	320.349	1.940	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CCCn2ccccc2=O)n1	735032510	RAKLQVNXJVHNRL-UHFFFAOYSA-N	301.350	1.179	50	20	DDGD	
CC[C@@H]1C[C@H]1CNC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836590250	KWCUPZLMBRZELD-ZJUUUORDSA-N	320.349	1.797	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ncoc1-c1ccccc1	833251417	XGYFMUVRLATWBL-LBPRGKRZSA-N	315.329	1.672	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNC(=O)Nc1ccc(OC)cc1	836605663	XPWLIOUMWFDPGT-OLZOCXBDSA-N	320.349	1.374	50	20	DDGD	
CC(C)(C#N)CS(=O)(=O)NC[C@]1(C)C[C@H]1Br	917864374	BANTZMDSBIMRAZ-SCZZXKLOSA-N	309.229	1.629	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2C[C@H](C)n3ccnc32)n1	836626346	AMEZIZFURIHDOD-QWRGUYRKSA-N	301.354	1.622	50	20	DDGD	
COc1ccc(CCCC(=O)NN(C)C[C@@H](C)O)cc1OC	910183164	LMDBATODYGZIJW-GFCCVEGCSA-N	310.394	1.370	50	20	DDGD	
COCCn1cc(C=NNC(=O)c2ccc(Cl)nc2)cn1	743437483	FKPOBNMTZUFCCI-UHFFFAOYSA-N	307.741	1.342	50	20	DDGD	
COc1ccc(NNC(=O)c2cccc(OCC(N)=O)c2)cc1	746886980	NZXIPAQHIVMGBX-UHFFFAOYSA-N	315.329	1.316	50	20	DDGD	
CC(C)(C)C[C@@H]1C[C@H]1NC(=O)NNC(=O)Cc1cccnc1	845388309	SWFNALBPPAFKCI-QWHCGFSZSA-N	304.394	1.779	50	20	DDGD	
CC[C@@H](C#N)C(=O)NNC(=O)c1ccc(Br)s1	845092256	KPLQNQZHWVBATF-LURJTMIESA-N	316.180	1.821	50	20	DDGD	
CCn1nc(C2CC2)cc1C(=O)NNc1ncc(Cl)cn1	912826750	YYRFHRKKUIEXBL-UHFFFAOYSA-N	306.757	1.981	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NC[C@H]1CCC[C@@H]1C1CC1	840395584	LIPSWPLFRAQIBS-HUUCEWRRSA-N	316.405	1.781	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1ncccn1)C1CCCCC1	841576692	FKYXPBVVAJHLEU-GFCCVEGCSA-N	305.382	1.780	50	20	DDGD	
NC[C@@H](NC(=O)NNc1cncc(Cl)n1)C1CCCCC1	841939518	IZDSTIWJCQTURB-SNVBAGLBSA-N	312.805	1.664	50	20	DDGD	
O=C(NCc1cccc2c1CCCN2)NNC(=O)C1CCC1	841994636	HMYNNXJIQGVAJO-UHFFFAOYSA-N	302.378	1.675	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cc([N+](=O)[O-])ccc1O)C1CC1	743059593	KGABPAMOUBASSP-ZETCQYMHSA-N	324.362	1.208	50	20	DDGD	
CCc1cccc2c1NC(=O)C2=NNC(=O)[C@H]1CCO[C@H]1C	842555499	LSXRDXDHLRGQGI-ONGXEEELSA-N	301.346	1.446	50	20	DDGD	
O=C(NCCCOc1ccccc1F)NNC(=O)c1ccc[nH]1	916222596	GRSORBNRYBLPAW-UHFFFAOYSA-N	320.324	1.567	50	20	DDGD	
Cc1nc(C(C)C)ccc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843656964	BPQVELWWPBCBNB-WCQYABFASA-N	305.378	1.699	50	20	DDGD	
COc1cc(Cl)ccc1S(=O)(=O)NNC(=O)CC(C)C	844254772	MPKNEDKUOYMMBW-UHFFFAOYSA-N	320.798	1.704	50	20	DDGD	
Cn1ncc2c1CCC[C@H]2NC(=O)NNC(=O)CC(F)(F)F	918071070	LZIDFAVHVSLORN-MRVPVSSYSA-N	319.287	1.080	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C/c1cc(F)c(OC)cc1OC	844275436	WYOQOQZMMPEOOE-YIVIPITNSA-N	322.336	1.901	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)[C@H]1CCCS1(=O)=O	847668237	NFOVKRCSUVKUIM-GFCCVEGCSA-N	305.359	1.255	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)N[C@@H]1CCCNCC1	841977244	HTHBZWFZTNRARS-MRVPVSSYSA-N	302.300	1.872	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1C1CC1	843656064	LVOYOMYDUYRIRZ-MFKMUULPSA-N	318.373	1.759	50	20	DDGD	
CC(=NNC(=O)c1nnc(-c2ccccc2)o1)[C@@H]1CCOC1	741762861	VJMRCPVJZRWUTG-GFCCVEGCSA-N	300.318	1.879	50	20	DDGD	
COCC[C@H](C)CNC(=O)NNc1ncnc2ccsc12	840395667	MDXRWIGVRXBEJR-VIFPVBQESA-N	309.395	1.990	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNc1ccc(OC(F)F)cc1	748643747	NQNNOOJFJXZSRZ-QMMMGPOBSA-N	301.293	1.646	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cc2c(cc1O)OCO2	749259658	AESIGTNDRDORNR-UHFFFAOYSA-N	317.257	1.786	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(c2ccncc2)C[C@H]1C	925488354	SGFASTFQHFOQCU-NXXVSJRMSA-N	300.362	1.563	50	20	DDGD	
C[C@@H]1CN(C2CC2)CC1=NNC(=O)COc1ccc(C#N)cc1	755878965	CIYUVEHBXGLJJU-GFCCVEGCSA-N	312.373	1.523	50	20	DDGD	
O=C(CCCC(=O)c1ccccc1)NNC(=O)C1CCOCC1	923050984	VDUZUSPXYHTSKO-UHFFFAOYSA-N	318.373	1.614	50	20	DDGD	
C[C@@H]1OCC[C@H]1SCC(=O)NNC(=O)c1ccc(C#N)cc1	754719070	JBGJMVJCQSREHR-GXFFZTMASA-N	319.386	1.230	50	20	DDGD	
Cc1nnc2n1C[C@@H](C(=O)NNc1cccnc1Cl)CC2	750793546	CCCJIOCTDFXXRU-VIFPVBQESA-N	306.757	1.341	50	20	DDGD	
CN(CC1(C)COC1)C(=O)NC[C@]1(C)C[C@@H]1Br	858629186	NTCNTKUHTAALEM-CABZTGNLSA-N	305.216	1.838	50	20	DDGD	
Cn1cc(NC(=O)NNC(=O)c2ccc[nH]2)c(-c2ccccc2)n1	757891523	JBYYNZHMGITULL-UHFFFAOYSA-N	324.344	1.882	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cc2c(nc1O)CCC2)C1CC1	855101939	DIZIWGIFBVZCDR-QMMMGPOBSA-N	320.418	1.183	50	20	DDGD	
COc1nnccc1NC(=O)NC[C@]1(C)C[C@@H]1Br	856870238	REYBANOWJPWTQK-KWQFWETISA-N	315.171	1.780	50	20	DDGD	
Cn1cc([C@@H]2C[C@H]2C(=O)NNc2ccc([N+](=O)[O-])cc2F)cn1	855623962	VTRCHTNJPJWVPS-WDEREUQCSA-N	319.296	1.714	50	20	DDGD	
CCc1noc(NC(=O)NC[C@]2(C)C[C@@H]2Br)n1	856868747	QLJLOJJQXYLLCY-WKEGUHRASA-N	303.160	1.927	50	20	DDGD	
CCOc1ccc(C=NNC(=O)CN2CCCC2=O)c(C)c1	853279393	QDVLZVCFTALKBH-UHFFFAOYSA-N	303.362	1.466	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccccn2)cc1F	755925318	ZMCAGQWFPXZDPQ-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
O=C(CC[C@@H]1CC1(Cl)Cl)NNC(=O)[C@@H]1CCCCO1	854683028	JXXSWVCBTLOSRY-BDAKNGLRSA-N	309.193	1.677	50	20	DDGD	
Cn1ncc2c1C[C@H](C(=O)NNc1ccc(Cl)cn1)CC2	856091321	KNQQAPCXBVHRIP-SECBINFHSA-N	305.769	1.717	50	20	DDGD	
C[C@@H](NC(=O)CC(C)(C)C)C(=O)NNc1ncc(Cl)cn1	857357839	FTOITROABGQHNA-MRVPVSSYSA-N	313.789	1.514	50	20	DDGD	
CCC(C)(C)OCCNC(=O)NNC(=O)c1cccc(F)n1	852378477	BWYKDVPODMGEPH-UHFFFAOYSA-N	312.345	1.370	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCc1cn(C)c2ccccc12	854924355	IFHNCUURIOUZFG-UHFFFAOYSA-N	304.419	1.578	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1csc([C@H]2CCCO2)n1	854923271	PBOVZWUAGKIMLI-MRVPVSSYSA-N	300.409	1.076	50	20	DDGD	
Cc1nn(C)c2ncc(C=NNC(=O)OCC(F)(F)F)cc12	853430330	DUFUKNDAXVUKIF-UHFFFAOYSA-N	315.255	1.899	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(OC(C)C)c(C#N)c1	757743367	OFRLHLWDOQICPE-UHFFFAOYSA-N	306.322	1.145	50	20	DDGD	
C[C@H](C(=O)N(C)CCC#N)N(C)NC(=O)OCc1ccccc1	859389593	KADVWTZVOOUDJO-CYBMUJFWSA-N	318.377	1.520	50	20	DDGD	
CSC(C)(C)C(=O)NNc1ncc(Br)cn1	855053522	JMQOOXCFHJVCOS-UHFFFAOYSA-N	305.201	1.824	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2cc(F)ccc2C)[C@@H]1OC	854006779	NYZHLULXNNDHOS-MCIONIFRSA-N	311.357	1.953	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1ccc(O[C@@H]2CCOC2)cc1	853309755	WAXOFSBHRNVTFC-CQSZACIVSA-N	314.345	1.650	50	20	DDGD	
COC(=O)NCCCC(=O)NC[C@]1(C)C[C@H]1Br	857396456	CGDVOBVBWLECQV-KCJUWKMLSA-N	307.188	1.412	50	20	DDGD	
C[C@](O)(CNC(=O)NC[C@@]1(C)C[C@H]1Br)C1CC1	856956558	RDWWXDMZCCFMMJ-JLLWLGSASA-N	305.216	1.620	50	20	DDGD	
Cc1nc(C=NNC(=O)[C@H]2COc3ccccc3O2)[nH]c1C	853261764	TVLRKFFDMPFPBO-CYBMUJFWSA-N	300.318	1.317	50	20	DDGD	
Cc1noc(C)c1C[C@@H](C)NC(=O)NNc1ncc(Cl)cn1	856867275	OYMUXPNGWCSPQI-SSDOTTSWSA-N	324.772	1.992	50	20	DDGD	
C[C@@H](OC1CCCCCC1)C(=O)NNC(=O)N1CCOCC1	760474833	STAYZFITBXUSAU-GFCCVEGCSA-N	313.398	1.187	50	20	DDGD	
O=C(/C=C\CN1CCOCC1)NNc1ncnc2ccsc12	866729175	JNOOWSCSLIBLQZ-UPHRSURJSA-N	319.390	1.023	50	20	DDGD	
CC(C)n1cnnc1SCC(=O)NN[C@@H](C)C(F)(F)F	862308071	XDPIVVZQIWOEHJ-ZETCQYMHSA-N	311.333	1.523	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1nc(-c2ccc(F)cc2)ns1	764722908	BTKVBVHCFKLFAQ-UHFFFAOYSA-N	321.337	1.907	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2cc3n(n2)CCCC3)c1	862479883	FITQNUOAYJFWRO-UHFFFAOYSA-N	304.375	1.664	50	20	DDGD	
CN(C)c1c(C=NNC(=O)N2CCOCC2)ccc(F)c1F	863085029	SDDMMILYNAHJLW-UHFFFAOYSA-N	312.320	1.407	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H](C)CCC2CC2)n1	769556885	LYVUMLWKFRYCCJ-JTQLQIEISA-N	307.398	1.409	50	20	DDGD	
CS/C=C\C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	765310973	OSIKBBPWYVLIJI-CLFYSBASSA-N	317.411	1.315	50	20	DDGD	
CCn1cc(C(=O)NNc2ccc(OC)cc2[N+](=O)[O-])c(C)n1	860218558	WOIKKGNWWUCTND-UHFFFAOYSA-N	319.321	1.885	50	20	DDGD	
CC(C)Oc1ccccc1NC(=O)C(=O)NNC(=O)C(C)C	763832765	REWBPQYBSYEATF-UHFFFAOYSA-N	307.350	1.216	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2cnc(-c3ccccc3)nc2)n[nH]1	764793076	KKOGYZGNMBYZRR-UHFFFAOYSA-N	306.329	1.939	50	20	DDGD	
O=C(CSc1cccc[n+]1[O-])NN=c1cc[nH]cc1Cl	768444902	YCJQAAXODUQDAL-UHFFFAOYSA-N	310.766	1.026	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1ccc(C2CC2)cc1	763886399	XHPXSDSNFKLQQW-UHFFFAOYSA-N	303.362	1.696	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)c1cncs1	762361404	NMOVZORCSOETAV-UHFFFAOYSA-N	323.399	1.705	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC[C@@H](CCC(N)=O)C1	866716130	IMHXQCADSXJYJW-NSHDSACASA-N	324.874	1.559	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	864552961	FJWQWDGHBQONEW-UHFFFAOYSA-N	321.377	1.204	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)[C@@H]2CCSC2)cc1	762179655	VXZVUHJDTAPATJ-SNVBAGLBSA-N	324.475	1.823	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cc2ccccc2O)nc1	760791346	WUEAXZKSDKMCEP-UHFFFAOYSA-N	301.302	1.260	50	20	DDGD	
COCCOCC(=O)NN=C(Cc1ccccc1)C(F)F	872401390	SLQMPPVZVZJYGL-UHFFFAOYSA-N	300.305	1.629	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1	878310347	KNSHYDPCAQCGGD-UHFFFAOYSA-N	322.365	1.950	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)OCC(=O)OC(C)C)cc(C#N)n1C	1115829298	BGJLREXVOCUZMP-ACAGNQJTSA-N	315.329	1.607	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@@H](C)N2CCCC[C@@H]2C)cc[nH]1	875072342	VGMJASUZLIWQHB-UONOGXRCSA-N	305.426	1.701	50	20	DDGD	
Cc1cc(CNC(=O)NNc2ccc(C(C)(C)C)nn2)no1	1116096596	YRAJGTZTHKGXNJ-UHFFFAOYSA-N	304.354	1.897	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)c1cccc(OC)c1	772040683	DBRZRBQYICGCDL-MNOVXSKESA-N	322.361	1.288	50	20	DDGD	
COc1cc(C)c(NC(=O)C(=O)NNc2ncccn2)cc1F	773724739	WFRJINAIIMQVMP-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1	874060320	FSYHJQPBRSEXBQ-JTQLQIEISA-N	318.295	1.932	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)cc[nH]1	875398410	LJHBYALLQGZAMA-UKRRQHHQSA-N	322.434	1.493	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNc2ccc(C#N)cc2)cn1C	775667572	AZQTYOARFLKSSZ-UHFFFAOYSA-N	313.317	1.832	50	20	DDGD	
CCOCC(=O)NN=Cc1cc(Br)cc(F)c1O	884429158	ZUPYTCSWUIMVFE-UHFFFAOYSA-N	319.130	1.780	50	20	DDGD	
COC(=O)[C@@H](C)n1cccc1C=NNC(=O)NCC(F)(F)F	774587556	QKIJHIQCYBVNFN-MRVPVSSYSA-N	320.271	1.418	50	20	DDGD	
CCn1nc(C(=O)NN=C2COC[C@@H]2C)c2ccccc2c1=O	884391110	QMOYJEIXLJLIIO-JTQLQIEISA-N	314.345	1.169	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc(Br)s1	779820649	HWNCICNISNDHPE-UHFFFAOYSA-N	320.168	1.317	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@]1(C)CCOc2ccccc21	887154648	SWMPPRDGODFFRE-QGZVFWFLSA-N	300.358	1.678	50	20	DDGD	
CC(C)CCOc1ccc(C(=O)NNC(=O)C2(O)CCC2)cc1	771871174	SWDIKPKEAPWMLE-UHFFFAOYSA-N	320.389	1.788	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNC(=O)NC1CCCC1	772512604	TXDKQKDWHRDLCI-VIFPVBQESA-N	307.398	1.793	50	20	DDGD	
COc1cc(CCNC(=O)NNC(=O)C(C)(C)C)cc(OC)c1	1123789674	NVUJZLBKFDEACW-UHFFFAOYSA-N	323.393	1.623	50	20	DDGD	
O=S(=O)(CCCCl)N[C@H]1CCCC[C@H]1N1CCOCC1	881991484	GVXWHFFGRVJOEJ-QWHCGFSZSA-N	324.874	1.178	50	20	DDGD	
CCOc1ncccc1CNC(=O)NNc1ccc(OC)cn1	780961585	PTEHPNSHSCQQDH-UHFFFAOYSA-N	317.349	1.710	50	20	DDGD	
O=S(=O)(CCCCl)N[C@H]1CCN(CC(F)(F)F)C1	881844444	XBNICGDXICKRJC-QMMMGPOBSA-N	308.753	1.171	50	20	DDGD	
COC[C@@H]1COCCN1C(=O)/C(C#N)=C/c1ccc(O)cc1	886864802	SYZOYHUQUXYODH-MAUPQMMJSA-N	302.330	1.173	50	20	DDGD	
C[C@H]1CC[C@H](NC(=O)NNC(=O)COc2ccccc2C#N)C1	780783637	WJYYASJLHNRVIM-AAEUAGOBSA-N	316.361	1.456	50	20	DDGD	
CC(C)(O)C(=O)NN=C1CC(C)(C)c2ccc([N+](=O)[O-])cc21	788441393	RPNOLIAHZVHLCK-UHFFFAOYSA-N	305.334	1.867	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNc1ccc(C(=O)OC)cn1	780675641	SECFISPPPLVZSA-UHFFFAOYSA-N	323.349	1.291	50	20	DDGD	
C[C@H](CN1CCOCC1)OC(=O)/C(C#N)=C\c1ccc(O)cc1	782280051	HZVPVHKPOSWMOT-NWFCWYBLSA-N	316.357	1.563	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCC[C@H]2CCCCO2)c1	780006461	JFYKIFKWZKFIBT-CQSZACIVSA-N	316.361	1.461	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H]2CO[C@H](C)C2)c1	784154456	SMXNRUVCXRZPNK-ZYHUDNBSSA-N	303.387	1.411	50	20	DDGD	
N#CCC1CCN(C(=O)NNC(=O)c2ccc(C#N)cc2)CC1	781800414	NBRXMLJDIDMFPA-UHFFFAOYSA-N	311.345	1.538	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)C2(c3cccnc3)CC2)c1	789944764	ZEAYSUBEZHECQH-UHFFFAOYSA-N	324.384	1.640	50	20	DDGD	
COc1ccc(NNC(=O)c2nc(C)n(-c3ccccc3)n2)nc1	781527742	MRQOPPVFNKXWBM-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)n1C	899942434	NMUNXZLZDLFYLT-UHFFFAOYSA-N	316.405	1.706	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21)c1ccc(Cl)cc1O	892948523	UJDVQHOCJUMTDW-GGZOMVNGSA-N	308.721	1.032	50	20	DDGD	
COCCN(C)c1ccc(C=NNC(=O)c2ccncc2)cn1	790136572	LYOGONRMRPEWHL-UHFFFAOYSA-N	313.361	1.323	50	20	DDGD	
C=C(CBr)COC(=O)c1ccc2nnc(O)n2c1	795574596	VLWPZGJTXSBIDO-UHFFFAOYSA-N	312.123	1.543	50	20	DDGD	
CC(=NNC(=O)Cc1ccncc1)c1ccccc1-n1ccnn1	794915609	SCQRYCIFFFUCSE-UHFFFAOYSA-N	320.356	1.745	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)C(=O)Nc1cccc(F)n1	793047762	BKZWGCLKQYZOEQ-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
CC[C@H](C)n1nc(C(=O)NNC(=O)NCC(F)(F)F)cc1C	798315329	FOOTUODTCKPWRB-ZETCQYMHSA-N	321.303	1.669	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2CCC(F)(F)C2)c1	794863158	DYZBGIDHLSNDML-LLVKDONJSA-N	311.332	1.949	50	20	DDGD	
CC(C)n1nccc1C=NNC(=O)c1ccc2c(c1)OCCO2	794490412	RVSUXVSZPQIHHI-UHFFFAOYSA-N	314.345	1.999	50	20	DDGD	
O=C(NNc1ncccc1Cl)C(=O)Nc1cncc(F)c1	799258216	VMNDKIGJHRJPGL-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)N=c1cc[nH]cc1)c1ccccc1	795002412	MFWMNAKKXPVUBP-LLVKDONJSA-N	315.402	1.765	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc3nc(C)ccc3o2)n1	794077760	RHNULXOIEPAFEZ-UHFFFAOYSA-N	310.313	1.914	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2ncccn2)c(C)cc1C	797021421	UKFDSNGVYVDEKI-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
N#C/C(=C\c1cn(Cc2cccnc2)nn1)C(=O)[C@@H]1CCCOC1	794954960	XFKNDXIJSHLGMR-LSRDKYIXSA-N	323.356	1.624	50	20	DDGD	
COC(=O)c1cccc(/C=C(\C#N)C(=O)N=c2cc[nH]cc2)c1	1319798767	LPVNAUUXEAKIIM-GXDHUFHOSA-N	307.309	1.836	50	20	DDGD	
Cc1c(C(=O)NNc2nccn(C)c2=O)cnn1C1CCCC1	1319616912	ULXADWMWXRRHIH-UHFFFAOYSA-N	316.365	1.157	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CC[C@H]2CC[C@@H](C)O2)cc1	1318907878	SIYOQACXRRHZBI-BXUZGUMPSA-N	306.362	1.804	50	20	DDGD	
CC[C@@]1(C)Oc2ccc(NC(=O)NNC(=O)CCO)cc2O1	1324398990	WEUTXRPVGABTHX-AWEZNQCLSA-N	309.322	1.119	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H]1CC(=O)N(C)c2ccccc21	1324518097	ZYYTYQBAKSDKNY-CYBMUJFWSA-N	310.357	1.983	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2cc(CN(C)C)on2)o1	1320100120	XZEWSPGOGRXNRQ-UHFFFAOYSA-N	318.337	1.476	50	20	DDGD	
O=C(NC[C@H]1CCC=CO1)NNC(=O)c1ccccc1Cl	1325946220	GEJVVEZGBWDOBW-SNVBAGLBSA-N	309.753	1.977	50	20	DDGD	
COc1ccnc(C(C)=NNC(=O)c2n[nH]c3c2CCCC3)c1	1329556184	FWHSRTADTRDFNR-UHFFFAOYSA-N	313.361	1.846	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc(C#N)cc1F	1335879021	LGFLINNPWVAGGS-UHFFFAOYSA-N	312.395	1.169	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(OC)cc1	1334086531	GRGCRKICPXCQES-ZIAGYGMSSA-N	304.346	1.437	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(C(=O)O)c(F)c2)c(O)c1	1607206279	RCHAUUQFGRQPOO-UHFFFAOYSA-N	320.276	1.995	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(C(=O)O)cn1)N(C)CC(F)(F)F	1609635822	JBLPGXYMIBJEFM-ZETCQYMHSA-N	320.271	1.106	50	20	DDGD	
Cc1c(NNC(=O)[C@H](C)c2cncnc2)cccc1C(=O)O	1607550691	NXUNVMRXYWCEHY-SECBINFHSA-N	300.318	1.730	50	20	DDGD	
CC(C)(C)C1CC(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)C1	1603062204	BWCKTSHBVKOQIS-UHFFFAOYSA-N	315.381	1.777	50	20	DDGD	
CC1CCN(C(=O)C(=O)NNc2cccc(C(=O)O)c2F)CC1	1604742310	UULAARRTVZKDTA-UHFFFAOYSA-N	323.324	1.226	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C(=O)O)C2CCCC2)c(O)c1	1605252934	YHYHAKAXBBWAQA-CYBMUJFWSA-N	320.345	1.353	50	20	DDGD	
CC(C)(C)[C@H](C(=O)O)C(=O)NNc1cnnc2ccccc12	1602853262	PLEWKUJDUGKOID-LBPRGKRZSA-N	302.334	1.820	50	20	DDGD	
O=C(O)C[C@@H]1CC[C@H](NC(=O)NNc2ccc(Cl)nn2)C1	1602112156	PJJQQJWGGCDDDE-SFYZADRCSA-N	313.745	1.400	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)Nc1cccc(C(=O)O)c1	1605815309	CSEJJGMXOJFIPX-UHFFFAOYSA-N	315.285	1.557	50	20	DDGD	
O=C(Cn1cc(Cl)cn1)NNc1ccc(C(=O)O)cc1F	1608376843	BTHQDXPVGNRIRN-UHFFFAOYSA-N	312.688	1.517	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2c(O)cccc2O)cc1	1602129007	KAXCYXPCHIHCNY-UHFFFAOYSA-N	302.286	1.482	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@H]2CCCO[C@H]2c2nccn2C)CN1C	1549309414	IHMXNIDMBFWNMO-KWCYVHTRSA-N	319.409	1.084	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)N[C@@H]1CC[C@@H]2CNC[C@@H]2C1	1610700673	VDCNPWIYGXXUCR-FRRDWIJNSA-N	318.377	1.399	50	20	DDGD	
O=C(CCc1ccccc1O)NNc1ccc(C(=O)O)cn1	1610661251	YFHJBPITXCYQRR-UHFFFAOYSA-N	301.302	1.561	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2coc(CN)c2)ccc1C	1578860550	WHSSJRWHPAKSJT-UHFFFAOYSA-N	303.318	1.590	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)c1cn([C@@H]2CCCNC2)nn1	1580740111	WNZUPCWONREBIO-SNVBAGLBSA-N	321.772	1.008	50	20	DDGD	
COc1cnc(C(=O)NNc2ccccc2C(=O)O)c(F)c1	1599722974	BQLLXSXUTNHQHL-UHFFFAOYSA-N	305.265	1.684	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc2cncn2c1	1593165512	OGINABXNQRSXFW-UHFFFAOYSA-N	320.316	1.271	50	20	DDGD	
O=C(C1CC(F)(F)C1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843361629	NUHLLPMXSSCZFJ-VIFPVBQESA-N	324.730	1.770	50	20	DDGD	
N#C/C(=C/c1csc(-c2nn[nH]n2)c1)C(=O)N1CCCC1	1592662245	JLCBBBJYPKIQHN-YHYXMXQVSA-N	300.347	1.458	50	20	DDGD	
CSCCONC(=O)NNc1ccc(C(=O)O)cc1F	1599801283	XAOVRNOFISASGO-UHFFFAOYSA-N	303.315	1.445	50	20	DDGD	
CN(C)Cc1ccsc1C(=O)NNc1ncccc1C(=O)O	1593703839	IOKKFIFOBNFYOM-UHFFFAOYSA-N	320.374	1.660	50	20	DDGD	
COC(=O)c1cc(OC(=O)[C@H]2CC[C@H]2C(=O)O)ccc1[N+](=O)[O-]	1593882737	UOBQPINMZATHKH-BDAKNGLRSA-N	323.257	1.398	50	20	DDGD	
CN(C)c1ccncc1C(=O)NNc1cccc(F)c1C(=O)O	1598348287	KXZOZVDHYWGZBJ-UHFFFAOYSA-N	318.308	1.742	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@]3(C(=O)O)CCCO3)nc12	1594413499	FCWJVLLMLIVXTE-AWEZNQCLSA-N	321.358	1.682	50	20	DDGD	
CCc1cnc(O)c(C(=O)NNc2ccc(C(=O)O)cn2)c1	1597419829	LQPXANBGOLFENS-UHFFFAOYSA-N	302.290	1.200	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=C(C)c1ccc(CC(=O)O)cc1	1776102792	YSGOVLQAJVFXFC-ZIAGYGMSSA-N	304.346	1.579	50	20	DDGD	
CCc1cc(C(=O)O)c(C=NNC(=O)c2cnsn2)s1	1776105243	UTXKEROXGRDRAR-UHFFFAOYSA-N	310.360	1.624	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=C(C)c1cc(C(=O)O)ccc1O	1776102517	RPQSQQOGSKRRKN-DGCLKSJQSA-N	306.318	1.356	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cccnc2)cnn1-c1ccccc1	12606003	NJDBFUUJEKCVCF-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
COc1ccnc(NNC(=O)C(=O)c2ccc3c(c2)CCC3)n1	150279477	SBDVNDCEPNRHMU-UHFFFAOYSA-N	312.329	1.300	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cccc(-n2ccnn2)c1	157883238	MHWKWOGKPNSSER-UHFFFAOYSA-N	303.322	1.437	50	20	DDGD	
Cc1c(C(=O)NNc2ccc(C(N)=O)nn2)oc2ccccc12	154334434	WKQSPQDYYWFILV-UHFFFAOYSA-N	311.301	1.387	50	20	DDGD	
COCCN1C[C@H](C(=O)NNc2cc(C)ccc2C)CC1=O	159008658	OTHBUJMVGMKXIG-CYBMUJFWSA-N	305.378	1.241	50	20	DDGD	
CC(C)(C)S(=O)(=O)CC(=O)NNc1ccc([N+](=O)[O-])cc1	159409033	VENLVMYISMQVAJ-UHFFFAOYSA-N	315.351	1.251	50	20	DDGD	
COc1ccc(NNC(=O)CN(C)C(=O)c2cccs2)nc1	159148813	JLXQOHSVWQEXKL-UHFFFAOYSA-N	320.374	1.367	50	20	DDGD	
CS(=O)(=O)CCN(C[C@H](CBr)C1CC1)C1CC1	859205503	IBRRQNCSJPALGG-NSHDSACASA-N	324.284	1.917	50	20	DDGD	
CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cccc(CCl)c1	1349080075	YNMQVDRAQARRRN-ZDUSSCGKSA-N	320.780	1.236	50	20	DDGD	
CN(Cc1cccc(F)c1)C(=O)NNC(=O)Cc1cccnc1	103519166	GCDYRKQCCPZXII-UHFFFAOYSA-N	316.336	1.636	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2cc[nH]n2)c(C)n1C(C)C	106417782	BETPKOWYARQFEO-UHFFFAOYSA-N	303.366	1.413	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)Cc1ccc([N+](=O)[O-])cc1	8301778	NICGJXAQRJVNIK-UHFFFAOYSA-N	310.379	1.431	50	20	DDGD	
COc1ccc(CNS(=O)(=O)CCCCl)c(OC)c1	109555477	XRCLLNNZCPNEDU-UHFFFAOYSA-N	307.799	1.752	50	20	DDGD	
COc1ccc(OCCC(=O)NNC(=O)c2ccc[nH]2)cc1	102491430	SOCIRAHDBPPXNM-UHFFFAOYSA-N	303.318	1.253	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@@H]1C[C@H]1c1ccc(Cl)cc1	107850294	JCIKHRYAGWKXIJ-XQQFMLRXSA-N	323.780	1.705	50	20	DDGD	
CN(C)C(=O)CCNC(=O)NNc1ccc(Cl)c(F)c1	175321185	MBUZCSLICLOFEQ-UHFFFAOYSA-N	302.737	1.584	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1	50081731	NBDSDSGYKQSLLV-GHMZBOCLSA-N	322.365	1.693	50	20	DDGD	
Cc1occc1CN(C)CC(=O)NNC(=O)c1ccc(F)cc1	178724229	HVSJBXOHVQQMGR-UHFFFAOYSA-N	319.336	1.620	50	20	DDGD	
O=C(NNC(=O)c1c[nH]nc1-c1cccnc1)c1ccccc1O	107045548	SQKRMZFWJYSJOC-UHFFFAOYSA-N	323.312	1.252	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCOCC(F)(F)F)n1	174480834	RECRYRMMOQPCAQ-UHFFFAOYSA-N	308.260	1.206	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)NCc1ccc(Cl)cc1	171858255	JODDYJBSVNCHDY-UHFFFAOYSA-N	306.753	1.823	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)Cc2c(C)nn(C)c2C)o1	175837044	VRPLBRMKIIKEIN-SECBINFHSA-N	318.377	1.578	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC(OC2CCCC2)CC1	111210939	FSINHPDXGMSOFU-LBPRGKRZSA-N	311.426	1.356	50	20	DDGD	
O=C(NCc1nc(C(F)(F)F)cs1)NNc1cccnn1	172703469	XRVNRHFPWDXSLD-UHFFFAOYSA-N	318.284	1.778	50	20	DDGD	
COc1cc(C)nc(NNC(=O)COc2cc(C)ccc2C)n1	174492985	RHBHWWNWEFIWSQ-UHFFFAOYSA-N	316.361	1.933	50	20	DDGD	
C[C@H]1CC(C)(C)CC[C@H]1NC(=O)NNC(=O)C(=O)N1CCCC1	175863229	PLKMORQIDFYCHP-NWDGAFQWSA-N	324.425	1.154	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCN(C)C2=O)cc1	172466262	WCAQFYYNNWKSLO-VOMSXAGXSA-N	313.357	1.339	50	20	DDGD	
NC(=O)NCCCCC(=O)NNc1ccc(Cl)c(F)c1	175451466	LWEPERFOXITPBP-UHFFFAOYSA-N	302.737	1.761	50	20	DDGD	
O=C(CCC1CCC1)NNC(=O)c1n[nH]c(=O)c2ccccc12	175724108	ZDZMNUJPSJRUGK-UHFFFAOYSA-N	314.345	1.264	50	20	DDGD	
COc1cc(C(=O)NNC(=S)N[C@H](C)C2CC2)ccc1C	175534279	OCBGWNBDZTZQMB-SNVBAGLBSA-N	307.419	1.911	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)CCN2CCCS2(=O)=O)c1	178988996	JOXRTBHCIPPBDD-UHFFFAOYSA-N	311.407	1.172	50	20	DDGD	
CCn1c(C(=O)NNC(=O)NCCCOC)cc2ccccc21	65204673	FPHWYEAYKFSSKT-UHFFFAOYSA-N	318.377	1.642	50	20	DDGD	
O=C(CCCCN1CCOCC1)NNc1ccccc1[N+](=O)[O-]	171942876	KMKJOYKQRUHKNW-UHFFFAOYSA-N	322.365	1.540	50	20	DDGD	
CC[C@@H]1CN(CCI)C[C@@H](C)[S@@]1=O	306299238	YENXDEHIWQCFOC-KKFJDGPESA-N	315.220	1.653	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Cc1cccc(Cl)c1	175784119	XVWQGYCOTNPMRU-UHFFFAOYSA-N	303.749	1.668	50	20	DDGD	
O=C(NNc1nc2ccccc2c(=O)[nH]1)c1ccc2nccn2c1	176778433	ARPIEVKPNCNQJA-UHFFFAOYSA-N	320.312	1.328	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc(C#N)c(Cl)c2)n1	122931897	CSXNOYJQUYGXPD-UHFFFAOYSA-N	303.709	1.767	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)Cn2ccc3ccccc32)c(C)n1	180426367	UFPBEPHHUKPRKT-UHFFFAOYSA-N	323.356	1.509	50	20	DDGD	
C=CCOC(=O)/C(C#N)=C\c1ccccc1OCC(=O)N(C)C	120963568	ZAERQYJFRMLWBK-UVTDQMKNSA-N	314.341	1.790	50	20	DDGD	
O=S(=O)(CCCCCl)Oc1cccc(-n2cncn2)c1	184429350	UMCUECYNRBMFMH-UHFFFAOYSA-N	315.782	1.995	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)C1CC1	127061579	GRPGTNWENYWLCZ-ZDUSSCGKSA-N	309.341	1.124	50	20	DDGD	
Cc1cc(NC(=O)NNc2cccc(S(C)(=O)=O)c2)no1	183092336	LKTTYVITFXQSHU-UHFFFAOYSA-N	310.335	1.535	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NC[C@@](C)(O)COC)cc1	75247127	MMIPBKVLVTWMFS-CRPZLVSXSA-N	318.373	1.506	50	20	DDGD	
CC(C)[C@@]1(C)C[C@H]1C(=O)NNc1nccc(N2CCOCC2)n1	185761121	BSDIWCOMCMCEKU-BLLLJJGKSA-N	319.409	1.439	50	20	DDGD	
Cc1ccccc1C[C@@H](CO)NC(=O)NNC(=O)C(C)(C)C	188086393	XDINBDAGFUODOJ-ZDUSSCGKSA-N	307.394	1.275	50	20	DDGD	
CCN1CCC[C@H]1CNC(=O)NNC(=O)Cc1ccccc1F	74492990	JCYJHXOSUIPTAG-ZDUSSCGKSA-N	322.384	1.183	50	20	DDGD	
O=C(CCc1cc(Cl)cs1)NNC(=O)N1CCOCC1	76586519	FNPBLZGXMICOMO-UHFFFAOYSA-N	317.798	1.407	50	20	DDGD	
O=C(C#Cc1ccc(C(F)(F)F)cc1)NNc1ncccn1	188009308	JFIBNPVFCYJXSF-UHFFFAOYSA-N	306.247	1.990	50	20	DDGD	
O=C(NNc1ncccn1)[C@H]1COc2ccc(Cl)cc2C1	44716511	DFKJAWFTRKOEBR-SNVBAGLBSA-N	304.737	1.824	50	20	DDGD	
COc1ccccc1[C@@H]1C[C@H]1C(=O)NNc1nccnc1OC	132105088	ZOUSOXGEMHHIGK-NWDGAFQWSA-N	314.345	1.741	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(Cl)cc1F	81028939	QJVBBHQIPYEBOU-UISBYWKRSA-N	312.728	1.808	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNC(=O)N2CCOCC2)s1	194905372	QCRUKWCAPYFLSF-UHFFFAOYSA-N	312.395	1.127	50	20	DDGD	
CCNC(=O)C(C)(C)CNC(=O)/C(C#N)=C\c1ccc(O)cc1	194787838	NHPFRDCMCQHCGE-LCYFTJDESA-N	315.373	1.578	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(Cl)cc1)NC1CCCC1	49419591	PLDRTCYJNFQBAW-UHFFFAOYSA-N	317.798	1.775	50	20	DDGD	
C=C[C@@H](CC(=O)NNc1ccc(C(N)=O)nn1)c1ccccc1	89506065	IIHJYJGDXQPNTJ-NSHDSACASA-N	311.345	1.379	50	20	DDGD	
CCOc1cccc(NC(=O)NNC(=O)c2ccc(C)o2)n1	130649075	DLWZTRONRLOCKX-UHFFFAOYSA-N	304.306	1.848	50	20	DDGD	
O=C(C=C1CCC1)NNc1ccc(S(=O)(=O)NC2CC2)cc1	87251396	PKWSBKPVFLLGIY-UHFFFAOYSA-N	321.402	1.681	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNc1nc2ccccn2n1	191907521	KBTVLTDTWRUUNV-UHFFFAOYSA-N	301.281	1.391	50	20	DDGD	
CC(=O)Nc1cccc(-n2nnnc2SC/C=C\C#N)c1	98059419	CXHZAZTUVMOWCY-IHWYPQMZSA-N	300.347	1.793	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCCNC(=O)OC)c1ccccc1	264696611	OYYRVCCDDWITRB-ZDUSSCGKSA-N	321.377	1.464	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)COc1ccc(C#N)cc1	266270902	ZOYWPKSLIZBNEI-UHFFFAOYSA-N	317.345	1.067	50	20	DDGD	
NC(=O)c1nccnc1C(=O)NNc1cccc2c1CCCC2	269590383	FVDVGYYYYKTSIQ-UHFFFAOYSA-N	311.345	1.211	50	20	DDGD	
C[C@H]1CC/C(=C\C(=O)NNC(=O)CNC(=O)c2cccs2)C1	267834301	FFZJKSMEQQPDBS-NGPGYTDTSA-N	321.402	1.372	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@@H]1CC12CCOCC2	365827267	IIMNZPYQEKBVJK-LBPRGKRZSA-N	306.337	1.332	50	20	DDGD	
CC[C@H](C(=O)NNc1cccc(C(=O)OC)c1)N1CCCC1=O	272777333	FBBLXNRXEPNSIT-CYBMUJFWSA-N	319.361	1.317	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1c(CC)cccc1CC	276215557	OOOAVRXYSPJVKH-UHFFFAOYSA-N	320.393	1.442	50	20	DDGD	
O=C(NC[C@@H]1CSCCS1)NNc1nc2ccccn2n1	276916035	PMONGLJAQWXEIF-SECBINFHSA-N	324.435	1.204	50	20	DDGD	
C[C@H]1C[C@H](CCNC(=O)NNC(=O)c2ccccc2F)CCO1	273141450	VRRBKRKJWKXLIA-NWDGAFQWSA-N	323.368	1.975	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H](C)OC[C@@H]2CCCCO2)n1	279818306	PCFVOHCMNIOGOJ-OLZOCXBDSA-N	321.377	1.125	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@@H]1C[C@]12CCOC2	368481558	HRJIZCYVOCXPEK-NHYWBVRUSA-N	324.764	1.536	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(C(C)C)nc2onc(C)c12	271444441	SKLOZVYEMVDEJL-UHFFFAOYSA-N	319.365	1.961	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1C(=O)NNC(=O)CC(C)(C)C	277134565	UDGJJCNAQYZJIS-UHFFFAOYSA-N	309.322	1.801	50	20	DDGD	
O=C(NNc1cccnn1)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	370568496	LVWLFMGQVYWEPB-ZXZZCXTASA-N	302.256	1.276	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@@H](NC(=O)NNc2ccc(Cl)nn2)C1(C)C	271754943	AHFIWUIWLQMAIL-AVPPRXQKSA-N	313.789	1.816	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccnc(NC(=O)C2CC2)c1	285072878	HERFUAJMOLBLPX-UHFFFAOYSA-N	304.350	1.237	50	20	DDGD	
COC(=O)[C@H]1CC[C@H]1C(=O)NNc1cccc([N+](=O)[O-])c1C	285716918	JBAKGSCEXYNGEB-ZJUUUORDSA-N	307.306	1.546	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C1	282078689	HLXBAGJNTUPCNX-IAEDUXEVSA-N	321.358	1.578	50	20	DDGD	
CCOC1(C(=O)NNC(=O)COc2ccc(F)cc2)CCCC1	284388987	VQFHTQHOFLDFDW-UHFFFAOYSA-N	324.352	1.701	50	20	DDGD	
CC[C@@H](C)CONC(=O)NNC(=O)COc1cc(C)cc(C)c1	291707987	GBYYTKNQOAYSCL-LLVKDONJSA-N	323.393	1.990	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1cccc(NC(C)=O)c1)C(C)C	293885607	IZJYCSFQXQPEQO-ZDUSSCGKSA-N	322.365	1.469	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCC(C)(C)CCC#N)n1	807592846	ITTZHMISOMOTTN-UHFFFAOYSA-N	303.366	1.664	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cnc2[nH]nnc2c1	805385906	ZUJMMCCXIYTDMB-UHFFFAOYSA-N	313.277	1.326	50	20	DDGD	
O=C(CS[C@H]1CCS(=O)(=O)C1)NNc1ccccc1	299452306	SFSCBWLIIGCYNB-NSHDSACASA-N	300.405	1.050	50	20	DDGD	
CC(C)(C)c1nnc2ccc(C(=O)NNC(=O)CC3CC3)cn12	294210646	QAPWHLJITXCRME-UHFFFAOYSA-N	315.377	1.588	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@H]2CC2(F)F)nc1C	294905138	HKNQZZUEFYHZLL-MRVPVSSYSA-N	300.265	1.060	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)CCCCCC#N)C[C@H](C)O1	806339405	FHIUVCPIHFKHQE-KBPBESRZSA-N	324.425	1.107	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)NC2CCCC2)c1-n1cccc1	299371392	VRZYLIWVKKTUCZ-UHFFFAOYSA-N	316.365	1.097	50	20	DDGD	
COc1ccc(Cl)cc1/C=C/C(=O)NNC(=O)[C@H]1CCCO1	293292285	HSIOHMPWEGTMCV-WXJAXGNASA-N	324.764	1.688	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCCCc1cnn(C)n1	297517141	WSUGJLLBFUXQQR-UHFFFAOYSA-N	316.409	1.945	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNC(=O)NCC(F)(F)F)cn1	808386018	UOGCBPOVMDXYTF-UHFFFAOYSA-N	319.287	1.280	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccccc1Oc1cnn(C)c1	801140619	QMTDYKBWHMTSDZ-UHFFFAOYSA-N	303.322	1.176	50	20	DDGD	
CSSCCNC(=O)NC[C@@H]1CC(=O)N(C2CC2)C1	807091395	JHCNNOSOCVSUCH-VIFPVBQESA-N	303.453	1.308	50	20	DDGD	
COCCN(C)NC(=O)COc1c(Cl)cccc1Cl	297029041	IRSWKVKTRDDZBQ-UHFFFAOYSA-N	307.177	1.982	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)c1ccccc1)N1CCCC1=O	299513972	KELGUWGUWCCKMG-CQSZACIVSA-N	303.362	1.095	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CCc2ccc(C(N)=O)cc2)n1	294248871	CBTWSCFRNVCCRW-UHFFFAOYSA-N	313.361	1.268	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H]1C(=O)NNc1cccc(NC(C)=O)c1	293847346	FZAFPIVRMIFTOL-CHWSQXEVSA-N	305.334	1.287	50	20	DDGD	
Cc1cccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c1C	298086310	LBEWFNUFSLJLPG-ZDUSSCGKSA-N	310.419	1.409	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)c2ccnc(N(C)C)c2)[C@H]1SC	807972585	NKUQQPJMZCXWIS-GXTWGEPZSA-N	322.434	1.774	50	20	DDGD	
CC(C)C[C@@H](CN1CCCC1)NC(=O)NNc1ncccn1	297757881	VOFVCWNJCIGHHR-ZDUSSCGKSA-N	306.414	1.613	50	20	DDGD	
O=C(C[C@@H]1COC(=O)C1)NNC(=O)Nc1cc(F)cc(F)c1	802004593	RMAALPKKCVOZAZ-ZETCQYMHSA-N	313.260	1.071	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@H]1CCCCO1)c1ccc2c(c1)OCO2	295665130	WJVBZUVFSUAERW-GXFFZTMASA-N	320.345	1.235	50	20	DDGD	
Cn1cnc2c(C(=O)NNc3cccc([N+](=O)[O-])c3)ccnc21	807118568	IJIRQAZJDDJKME-UHFFFAOYSA-N	312.289	1.633	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1c[nH]nc1-c1ccccn1	813423653	JZBXLFQBDRDSES-UHFFFAOYSA-N	302.338	1.216	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NOC/C=C/Cl)c2ccccc21	811850725	CVNGCSQOAGDOGZ-QPJJXVBHSA-N	322.752	1.806	50	20	DDGD	
CC1(CCNC(=O)NNc2cccc(Cl)n2)OCCO1	814320540	VCTUKUWBPXPSOA-UHFFFAOYSA-N	300.746	1.514	50	20	DDGD	
Cc1csc(CC(=O)NN=C2CC[C@@H](C(=O)O)[C@@H](C)C2)n1	814778982	BBWOQCISWAFMME-GZMMTYOYSA-N	309.391	1.987	50	20	DDGD	
CN(C)c1nc(Cl)c(C=NNC(=O)N=c2cc[nH]cc2)s1	815001004	SHDPCGUZGVJTDX-UHFFFAOYSA-N	324.797	1.835	50	20	DDGD	
CN(NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1)C1CC1	819650022	DKQKQCMMWDBDTK-HIFRSBDPSA-N	305.353	1.471	50	20	DDGD	
C[C@H]1SCCC1=NNC(=O)Cn1nnc(-c2ccccc2)n1	814704560	NQJMHSCFTXUZKB-SNVBAGLBSA-N	316.390	1.338	50	20	DDGD	
CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NC(=O)NNc1ncncc1F	814306015	MFHZLEUCLOINLH-IEBDPFPHSA-N	309.345	1.445	50	20	DDGD	
CCC(=NNC(=O)Cc1cc[nH]n1)c1cccc([N+](=O)[O-])c1	814958099	ZALUVHWICRJDAE-UHFFFAOYSA-N	301.306	1.791	50	20	DDGD	
CCn1ccnc1C(=O)NNC(=O)COc1ccc(C)c(C)c1	813367007	SJWGTPLXPJDDHU-UHFFFAOYSA-N	316.361	1.360	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1nnn(-c2ccc(F)cc2)c1C	814908421	BEHGBIWNTJLMNL-UHFFFAOYSA-N	319.340	1.326	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(COC)Cc1ccccc1	814865341	QIIFJTCXFISVJK-CYBMUJFWSA-N	308.378	1.399	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NNC(=O)c1ccnnc1	817693402	OHKQFOWKFAVRKK-MRVPVSSYSA-N	315.171	1.047	50	20	DDGD	
COCC(=O)NN=C(C)c1nnn(-c2cccc(Cl)c2)c1C	814872367	MJMFIMFDQTVDIC-UHFFFAOYSA-N	321.768	1.716	50	20	DDGD	
Cc1cccc(CC(=O)NNC(=O)Cn2cnc3ccccc32)c1	726767328	PIJMIHJPDLOSOB-UHFFFAOYSA-N	322.368	1.735	50	20	DDGD	
CC(=O)NC1CCC(NC(=O)NNc2ccc(F)cc2)CC1	726276321	QKSGYCJUOOHIEW-UHFFFAOYSA-N	308.357	1.899	50	20	DDGD	
CC(C)[C@@H](O)C1(CNC(=O)/C(C#N)=C\c2cnn(C)c2)CC1	491088302	ZGMVNPXHXCJHDO-CNTYAEFGSA-N	302.378	1.240	50	20	DDGD	
C/C(=C/c1ccccc1)CN(C)CC(=O)NNC(=O)C(C)C	829213442	VVTJDBVXLPZDHX-UVTDQMKNSA-N	303.406	1.825	50	20	DDGD	
CC(C)C[C@@H](CCO)CNC(=O)/C(C#N)=C\c1cnn(C)c1	491080781	FDZCKYROFPQBPM-QVYJARAXSA-N	304.394	1.488	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNC(=O)COc1ccc(OC)cc1	820630227	LDGFSPNPERZCQW-GFCCVEGCSA-N	319.361	1.206	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cnn2ccccc12	826447662	QFHVIIWKHCRRMZ-UHFFFAOYSA-N	320.316	1.271	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1	495762309	NJZWKAYVDVKKFD-JTQLQIEISA-N	313.260	1.187	50	20	DDGD	
CS/C=C/C(=O)NNC(=S)NCCc1cccs1	820168648	GDQIDKKOCUYLGZ-VMPITWQZSA-N	301.462	1.663	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	823940461	YEJZKUHYPDNNSK-DTHBNOIPSA-N	305.216	1.284	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)o1	822825653	KJMXLDAXVBOQJQ-UHFFFAOYSA-N	307.273	1.095	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cc3n(n2)CCCC3)n1	826091650	OJVJAHULBQHZJF-UHFFFAOYSA-N	306.757	1.728	50	20	DDGD	
CCCN(CC)C(=O)c1ccc(C(=O)NNC(=O)N(C)C)cc1	729348530	PLIQUKVVKLGQRQ-UHFFFAOYSA-N	320.393	1.475	50	20	DDGD	
Cc1cc2c(SCC(=O)NNC(=O)C(C)C)ncnc2s1	829501467	GYGYGSDVGRRZKA-UHFFFAOYSA-N	324.431	1.895	50	20	DDGD	
CS[C@@H](CNC(=O)c1ccc(B(O)O)c(F)c1)C(C)(C)C	584972857	ILONFYAVKKUNIA-LBPRGKRZSA-N	313.203	1.013	50	20	DDGD	
CC(=O)c1cn(CC(=O)NNc2ccc(C(C)(C)C)cc2)nn1	828101033	FOHOAAOKDQRTEE-UHFFFAOYSA-N	315.377	1.922	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C1(C)CCOCC1	726752965	ZHIHRKFBACXQDQ-NSHDSACASA-N	324.352	1.557	50	20	DDGD	
CNC(=O)/C(C#N)=C\c1cn2ccc(Br)cc2n1	491105355	QBDIGERDZMHSNA-YWEYNIOJSA-N	305.135	1.750	50	20	DDGD	
C[C@]1(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)C[C@H]1Br	906498543	KMGYJQHXQAPKJC-SKDRFNHKSA-N	322.166	1.979	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)/C=C/C2CCCC2)cc1	493511131	DREJVQNRDHRNLS-DHZHZOJOSA-N	315.373	1.827	50	20	DDGD	
O=C(CCc1ccco1)NNC(=O)c1cccc(C(=O)O)c1	821377790	XZPTXRGXLSKTAN-UHFFFAOYSA-N	302.286	1.372	50	20	DDGD	
C=CC(=O)N(CC)CC(=O)NNC(=O)CCCc1ccccc1	900544306	SLXUVZMKBLNRGL-UHFFFAOYSA-N	317.389	1.191	50	20	DDGD	
Cc1nn(C)c(C(=O)NN(C)C(=O)OC(C)(C)C)c1[N+](=O)[O-]	496028108	JXSSQCCIAAXREX-UHFFFAOYSA-N	313.314	1.148	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)/C=C\SCc1ccco1	492084797	KBFZHRHMWBUXGA-XQRVVYSFSA-N	306.347	1.519	50	20	DDGD	
O=C(C=C1CCCC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	737792037	MBBCSURRBGZPPT-UHFFFAOYSA-N	312.333	1.128	50	20	DDGD	
C#C[C@H](CC)NC(=O)NNC(=O)c1cccc(OC(F)F)c1	491362363	RRATWKKFCDYKSD-SNVBAGLBSA-N	311.288	1.644	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1ccnn1-c1ccccn1	836696843	NXZONPKQVHLDAQ-UHFFFAOYSA-N	316.365	1.856	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccn(Cc2ccncc2)n1	496853282	CXADDRGCAUOJGF-UHFFFAOYSA-N	304.310	1.109	50	20	DDGD	
Cc1cnn(CCC(=O)NNc2cccc(Br)n2)c1	837210174	FXOOMERLCBGQEG-UHFFFAOYSA-N	324.182	1.882	50	20	DDGD	
COc1cccc(CN(C)[C@@H](C)C(=O)NNC(=O)CC(C)C)c1	731849058	SCLLBJIMULTGPN-ZDUSSCGKSA-N	321.421	1.709	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C[S@](=O)c1ccc(Cl)cc1	907253331	SOLCFLDIAIIGDA-FQEVSTJZSA-N	317.798	1.140	50	20	DDGD	
Cc1c(NC(=O)C(=O)NNC(=O)CC(C)C)ccc(F)c1F	839512116	IQLHOKAXDSPUSV-UHFFFAOYSA-N	313.304	1.405	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)N[C@@H]1C[C@H]1c1ccccc1F	838754472	BRZLBAAJWMCLDN-IACUBPJLSA-N	321.352	1.581	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H]2CCOC[C@@H]2OCC)cc1	838553078	RKDFUKXEBPYVCV-GJZGRUSLSA-N	323.393	1.905	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1Cc2ccccc2O[C@H](C)C1	830008837	JNVMFVSIYYSASJ-GFCCVEGCSA-N	305.378	1.073	50	20	DDGD	
C=C(C)CCNC(=O)NNC(=O)c1cc(OC)cc(OC)c1	836579979	UMSJKRHMCLEGCD-UHFFFAOYSA-N	307.350	1.614	50	20	DDGD	
CN(C)CCCCC(=O)NNC(=O)C(C)(C)c1ccccc1	731231526	RYPTXSZGTMSRNI-UHFFFAOYSA-N	305.422	1.844	50	20	DDGD	
C[C@]1(C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)C[C@@H]1Br	906959443	BEHPYLYRLMKSRE-BLFANLJRSA-N	318.211	1.566	50	20	DDGD	
O=C(Cc1coc2cc(F)ccc12)NNC(=O)[C@H]1CCCCO1	833246592	NMXYOSPSRPAGHE-CYBMUJFWSA-N	320.320	1.831	50	20	DDGD	
COc1cccc(N2CC[C@H](NS(=O)(=O)CCl)C2)c1	830374242	DAOWCCWBHUCJGN-JTQLQIEISA-N	304.799	1.390	50	20	DDGD	
Cc1cnc([C@@H](C)CNCc2ccc(B(O)O)cc2F)s1	585034347	ICTCVCUDGORDMZ-VIFPVBQESA-N	308.187	1.164	50	20	DDGD	
CC1(CNC(=O)NNc2cccc(C(=O)O)c2)CCOCC1	833564224	VDWNEVZOXJKHSO-UHFFFAOYSA-N	307.350	1.828	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@@H]2CCc3ccccc3OC2)cn1	831871968	FPSMVLCXDOWPQN-WPBGYSLVSA-N	322.368	1.837	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cnn(-c2ccc(F)cc2)n1	737788334	QHFUCFRAPQXLEQ-UHFFFAOYSA-N	305.313	1.214	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CCO[C@H](C)C2)c(F)c1	837207929	SJBPSJLPNFAUQS-ZJUUUORDSA-N	310.325	1.871	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCC2(Br)CC2)cn1	910222236	PYGWXZPHZUTTEC-WMZJFQQLSA-N	309.167	1.371	50	20	DDGD	
C[C@@H](OC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)OC(C)(C)C	837970686	GLCAEFBFOYNVIP-HAAVITCDSA-N	305.334	1.600	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1nc2ccccc2s1	831051995	JRGHQEHRBPPNIN-IUCAKERBSA-N	320.374	1.874	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1Cl	731543669	AJBGFNSJYSNKJF-UHFFFAOYSA-N	314.754	1.543	50	20	DDGD	
CC(=O)N1C[C@H](C(=O)NNc2ccccc2)Oc2ccccc21	919182360	NQUMBRYKUQGJKG-MRXNPFEDSA-N	311.341	1.944	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@]1(C(=O)OC(C)(C)C)CC1(C)C	910138215	DGXQVZUNPJSGNK-BONVTDFDSA-N	300.399	1.088	50	20	DDGD	
O=C1C[C@H](C(=O)NN=c2cc[nH]cc2Cl)[C@H]2CCCC[C@@H]2N1	832243649	UWXPSKZICXCLSC-SCVCMEIPSA-N	322.796	1.295	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@H]2CCCN2C2CCCC2)n1	749242375	RPNLJHDQZFTURJ-CYBMUJFWSA-N	318.425	1.393	50	20	DDGD	
O=C(NN=C1CCN(c2cnccn2)CC1)c1ccccc1O	915935018	QMFPCKJSQWTVAC-UHFFFAOYSA-N	311.345	1.568	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2ccc(C(N)=O)cc2)cs1	915947132	FWMBEVQZKVMLDU-UHFFFAOYSA-N	302.359	1.243	50	20	DDGD	
Cc1[nH]nc(C(=O)NNC(=O)c2cccc(Cl)c2)c1[N+](=O)[O-]	749715600	UNXSOUGISWUREH-UHFFFAOYSA-N	323.696	1.355	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1c[nH]nc1-c1ccccc1	742582959	GHYUBGGAIAWUJF-UHFFFAOYSA-N	317.349	1.057	50	20	DDGD	
Cc1cc(O[C@H](C)C(=O)NN(C)C[C@@H](C)O)ccc1Cl	910171474	YIGXXSWQQHSIFL-GHMZBOCLSA-N	300.786	1.760	50	20	DDGD	
CCOC(=O)NNC(=O)[C@]1(C(=O)OC(C)(C)C)CC=CCC1	845074706	YJKBAUQVTXEQFU-HNNXBMFYSA-N	312.366	1.832	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@@H]2CCC[C@@H]2C(C)(C)C)cn1	841592127	ZULQLQXDSANYSH-NWDGAFQWSA-N	307.398	1.579	50	20	DDGD	
NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ncc(Cl)cc1Cl	847755310	WZFSQSWOXNNZBM-RQJHMYQMSA-N	303.149	1.343	50	20	DDGD	
Cn1c(NNC(=O)[C@H]2CCc3nccn3C2)nc2ccccc21	848380130	ZGFGXKHBZPNDLO-NSHDSACASA-N	310.361	1.476	50	20	DDGD	
NC[C@@H](NC(=O)NNC(=O)c1cccc(Cl)c1)C1CCCC1	841988228	SUWWUPIZXCNNSC-CYBMUJFWSA-N	324.812	1.802	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)c2cccc(C#N)c2)[C@@H](C)[C@@H]1C	842166166	INVOCFSKHVQHSL-UPJWGTAASA-N	314.389	1.296	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)COc2ccccc2F)c2ncnn21	841606742	KZJLOJIWZKDLRL-SECBINFHSA-N	303.297	1.281	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)CCc1ccccc1)n1ccnc1	844361165	KDUBDMAQVSPGAP-CYBMUJFWSA-N	300.362	1.614	50	20	DDGD	
NC[C@H]1CC[C@@H](NC(=O)NNc2cc(F)c(F)c(F)c2)C1	842009333	AVUGULQLCPFTGV-JGVFFNPUSA-N	302.300	1.857	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1ccc(N2CCCC2)nc1	916388953	KAYBTWRZUXPSMZ-UHFFFAOYSA-N	319.409	1.558	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)cc2c1OCO2	842560444	XQKVBKLTGSWJSQ-MWLCHTKSSA-N	306.318	1.299	50	20	DDGD	
CS(=O)(=O)c1ccc(NC(=O)NNc2ccc(F)cn2)cc1	743807973	MGCDXMIXNAAJLN-UHFFFAOYSA-N	324.337	1.773	50	20	DDGD	
Cc1cc(C)c(CNC(=O)NNC(=O)c2ncccn2)c(C)c1	841583187	SXOOTXBUNVIFDN-UHFFFAOYSA-N	313.361	1.546	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NNC(=O)COc1ccc(C)c(C)c1	916107670	HPYURUXKGXHYKL-KGLIPLIRSA-N	306.362	1.255	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1ccccc1OCC1CC1	740485364	GAIZSCLZWFUFKB-UHFFFAOYSA-N	321.377	1.342	50	20	DDGD	
Cc1ccc2oc(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)cc2n1	843647017	LMLRJFWNXQZBNH-ZJUUUORDSA-N	303.318	1.322	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc2cccc(F)c2o1	742068395	DSSUYLJVEHPDON-UHFFFAOYSA-N	302.265	1.678	50	20	DDGD	
COC(=O)c1cnc(C(C)=NNC(=O)NC2CCCC2)s1	841621352	BWSIFFHZDIAXEX-UHFFFAOYSA-N	310.379	1.896	50	20	DDGD	
Cn1ccnc(NNC(=O)c2cc(Cl)ccc2Cl)c1=O	747941563	HNELINOLVUHXFC-UHFFFAOYSA-N	313.144	1.844	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)N[C@@H]1CCCNCC1	841979978	ZQZKPQFCMHPHBR-CYBMUJFWSA-N	324.812	1.355	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccc3cccnc23)cn1	747428780	LCYXGFSQOJVGBC-UHFFFAOYSA-N	322.324	1.713	50	20	DDGD	
CCCC[C@@H](CN)NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	841959570	ROSNMAGLNWKGBU-NSHDSACASA-N	323.353	1.056	50	20	DDGD	
C[C@@H](C(=O)NC(N)=O)N(C)CCO[Si](C)(C)C(C)(C)C	844347160	RLCFOHXFUPGODI-JTQLQIEISA-N	303.479	1.523	50	20	DDGD	
Cn1nc(C2CC2)nc1CC(=O)NNc1cccc(F)c1F	843834076	BLFXURJSSREUKD-UHFFFAOYSA-N	307.304	1.657	50	20	DDGD	
NC1CCC(NC(=O)NNC(=O)c2cc3c(s2)CCC3)CC1	841945536	QDLYRXDNOSZMIM-UHFFFAOYSA-N	322.434	1.451	50	20	DDGD	
CC1(C)C[C@@H]1CNC(=O)NNC(=O)Cc1cn2ccccc2n1	746764556	BVACFXZMLHWVKV-LLVKDONJSA-N	315.377	1.253	50	20	DDGD	
C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)/C(C#N)=C\c1ccc(F)cc1	924158572	FRPCMMGLZIFFAA-UJBGEDJVSA-N	322.361	1.282	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccc(F)cc1C#N	757592054	MNUMGFGNIWMDSW-UHFFFAOYSA-N	302.269	1.195	50	20	DDGD	
C[C@H](CO)[C@H]1CCCCN1C(=O)/C(C#N)=C\c1cnn(C)c1	855467252	RUKFSYTVEHRHQD-GZWCCODISA-N	302.378	1.337	50	20	DDGD	
Cc1ccc(C(C)(C)CNC(=O)NNc2ncncc2F)nc1	858761431	XWNUGNNZBPKMGF-UHFFFAOYSA-N	318.356	1.923	50	20	DDGD	
N#CSCCCNC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O	854363790	NEHUUPFMTNUIKO-OLZOCXBDSA-N	309.435	1.888	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H]2CCn3ccnc3C2)c1	858374359	ZKZFMOVKYGRKCH-JTQLQIEISA-N	319.390	1.212	50	20	DDGD	
COc1ccc(C[C@@H](C)C=NNC(=O)C(=O)NC2CC2)cc1F	758100606	SWKQCOQKVBQNRL-SNVBAGLBSA-N	321.352	1.394	50	20	DDGD	
C[C@H](C[C@H]1CCOC1)NC(=O)NNC(=O)CCc1ccccc1	759765645	BTJXHSCOXZTYAW-UKRRQHHQSA-N	319.405	1.765	50	20	DDGD	
O=C(CNC(=O)Nc1cccc(Cl)c1)NNc1cccnn1	857486095	GTYGTYHTCWJFLX-UHFFFAOYSA-N	320.740	1.395	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1ccc(CO)cc1	853278837	IWFWCZKWZGHWAO-AWEZNQCLSA-N	303.406	1.751	50	20	DDGD	
C[C@@H]1COC[C@H]1NC(=O)NNC(=O)c1cc2ccccc2o1	926009732	KUYHAYNATIQYTO-MWLCHTKSSA-N	303.318	1.412	50	20	DDGD	
C#CCN(CC(=O)NNc1ncccc1F)C(=O)OC(C)(C)C	854416091	QHJPCQUOERYIDF-UHFFFAOYSA-N	322.340	1.534	50	20	DDGD	
COc1coc(C(=O)NC[C@]2(C)C[C@@H]2Br)cc1=O	857387530	JLOKYMBUVKYLJY-JQWIXIFHSA-N	316.151	1.552	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@H](c1nc(C)cs1)C1CC1	754201270	XDZZFWRTPUCIFY-SKDRFNHKSA-N	310.423	1.438	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2c(C)nn(C(C)(C)C)c2C)n[nH]1	755629083	YPPVFNVYKQFXPV-UHFFFAOYSA-N	316.409	1.979	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H]2CC(C)=NO2)cc1C	854573273	DUKROQRCLSJKQH-ZDUSSCGKSA-N	305.334	1.780	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2cc(F)ccc2O)ccn1	755708562	FEGGFDXGBSHCSL-UHFFFAOYSA-N	302.309	1.756	50	20	DDGD	
CCC1CC(=O)C(=CNNC(=O)c2cccc(F)n2)C(=O)C1	852999991	YGPVLQSTJDOYOZ-UHFFFAOYSA-N	305.309	1.297	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@@H](O)C2CC2)c1	854183554	HVFFRTIAPUOGHN-INIZCTEOSA-N	320.389	1.416	50	20	DDGD	
O=C(NN=Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc[nH]1	920372873	GCFWJSPPESPNQV-UHFFFAOYSA-N	316.273	1.458	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccc(F)n1)N1CCCCCC1	856423967	DQYKKHYXVFJBRH-NSHDSACASA-N	308.357	1.246	50	20	DDGD	
Cc1ccc(NNC(=O)CC2(CS(C)(=O)=O)CC2)cc1F	856229353	HFVYJDATNUYUEE-UHFFFAOYSA-N	314.382	1.792	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@](C)(O)Cc1ccccc1)C1CC1	855100767	IQYWDLBUCCNJLE-MEDUHNTESA-N	321.446	1.274	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)N[C@@H]1CCN(CC2CC2)C1	852127062	LXSYNKSYLFWEDI-GFCCVEGCSA-N	309.801	1.845	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)c2cc[nH]n2)[C@@H]1Oc1ccccc1	853392743	SYUCUVKKTWBQLA-CABCVRRESA-N	314.345	1.752	50	20	DDGD	
COC(=O)N(C)CCNC(=O)/C(C#N)=C/c1ccc(O)cc1	855943386	XIEHCNFZBFYSRN-FMIVXFBMSA-N	303.318	1.114	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Cc1occc1C	854509984	GZFCFNWCHUUOBE-UHFFFAOYSA-N	302.330	1.529	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCC(=O)N2C)c1C	753410979	NLAFQZCMNZATDB-LBPRGKRZSA-N	320.418	1.242	50	20	DDGD	
C=C[C@](C)(O)C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	854218930	XRLGAUMESGXNDH-LRDDRELGSA-N	306.362	1.155	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CO)ccc1OCC(F)(F)F	756673164	WDDKJCJPSUIVRS-UHFFFAOYSA-N	321.255	1.081	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)CNc1ccc(C)cc1C	755681491	KBIHJPVODVHGDJ-LBPRGKRZSA-N	307.394	1.535	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(C)cn2)c1	753011036	WZRMXIVDDRCHKD-UHFFFAOYSA-N	315.329	1.482	50	20	DDGD	
O=C(NN=C[C@H]1CCOc2ccccc21)[C@@H]1CCS(=O)(=O)C1	752159371	CNEFMKBPDADCCP-VXGBXAGGSA-N	322.386	1.089	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H](C)c2cnn(C)c2)c1	858245485	JUBPTQOEWGYGRS-VIFPVBQESA-N	307.379	1.495	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)NCC2CCC2)nn1C(C)(C)C	855091835	FVXASQUZDMJEOQ-UHFFFAOYSA-N	323.466	1.856	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)c2cc3c(s2)CCC3)C1	858985439	DKIRGFVHCHKOBM-MGCOHNPYSA-N	309.391	1.358	50	20	DDGD	
COC(=O)c1cccc(COc2ccc(B(O)O)cc2)c1Cl	864048333	RLYQMWQPGYAJKP-UHFFFAOYSA-N	320.537	1.385	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc2scnc2c1	930733456	UDJCCWVUTXHHJA-UHFFFAOYSA-N	308.363	1.277	50	20	DDGD	
C[C@@H](NNC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1)C(F)(F)F	862309501	RFHGXQOJJTUOBY-ZJUUUORDSA-N	323.359	1.843	50	20	DDGD	
CC[C@H](C)c1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1	862456643	QIPZSJXMYDKRPL-GWCFXTLKSA-N	303.362	1.240	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)c2cn(C3CC3)nn2)cc1	862122200	BFTOYJAUJGKMRD-UHFFFAOYSA-N	315.333	1.085	50	20	DDGD	
CCC[C@@H](C(=O)NNc1ccc(F)c(Cl)c1)S(N)(=O)=O	863082249	HIEUMCKEBVAUGA-JTQLQIEISA-N	323.777	1.379	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@H]1CCN1C1CCCC1)C1CC1	863205034	OVTKBEVPDFJQOI-ZWNOBZJWSA-N	310.467	1.297	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1c[nH]c2cccc([N+](=O)[O-])c12	763119037	NGTTWCJUTWNRMS-UHFFFAOYSA-N	316.252	1.762	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)c1cnc2[nH]cnc2c1	764125429	KBDOOQSQKMPHPY-UHFFFAOYSA-N	321.300	1.765	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@@H]2COCO2)c1C	861966431	WBQRGBBKQYQJJS-UBYXTUIOSA-N	317.389	1.911	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H](C)OC[C@@H]2CCCO2)c1	862477709	MUQAHVKIPVJFHG-MNOVXSKESA-N	312.391	1.402	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C=NNC(=O)c2ccncc2)c1C	863064749	PZYWMAGSTXTPGU-UHFFFAOYSA-N	314.345	1.967	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@H](C1CC1)[C@@H](CO)C1CC1	867353377	STWZVYWIGZVJPQ-QWHCGFSZSA-N	323.886	1.968	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C[C@@H](C)N1CCc2ccccc21	1118308203	JFKNYIWIKPBZCL-GFCCVEGCSA-N	320.462	1.731	50	20	DDGD	
CCN(CC)CCC(=O)NN=C(C)c1cccc(C(=O)O)c1	764661747	FVGUVNDYTRFZMC-UHFFFAOYSA-N	305.378	1.957	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)C(=O)N1CCC(C)CC1	768178876	ACKGFONEFQNKIM-UHFFFAOYSA-N	319.361	1.175	50	20	DDGD	
N[C@H]1CC[C@@H](C(=O)NNc2ncc(Br)cn2)CC1	870950225	AYDGPIKOURJNKL-OTSSQURYSA-N	314.187	1.200	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1cc2n(n1)CCCC2	874956334	UFBGGLSOLIICDV-UHFFFAOYSA-N	316.390	1.246	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H](C)C(C)(F)F)cn1	874955351	PSPZXPYPGMZHOP-SSDOTTSWSA-N	318.349	1.699	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)C(C)(C)C(N)=O)c1	873757170	TWLONIQNZBHGPJ-UHFFFAOYSA-N	308.407	1.133	50	20	DDGD	
COc1cc(F)cc(OC)c1C=NNC(=O)[C@H]1CCO[C@H]1C	872383832	JBNUUWAONKLJTR-ONGXEEELSA-N	310.325	1.718	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H]2CCCC(=O)N2)c1	873757172	TXQMEKKIYPWNHS-LLVKDONJSA-N	320.418	1.290	50	20	DDGD	
CCCNC(=O)NN=Cc1ccc(N2CCN(C)CC2)cc1	771562982	IOVXZIJLEIPCCW-UHFFFAOYSA-N	303.410	1.482	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccnn1-c1ccccc1C	879106052	PAZSMGKEFSIICJ-UHFFFAOYSA-N	303.366	1.795	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CC3(CCC3)Oc3ccccc32)cc1	877094657	LXIIJKVCGLBGHI-KRWDZBQOSA-N	323.201	1.903	50	20	DDGD	
CON=CC(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C	773707680	FAJADZRLAKAIDC-UHFFFAOYSA-N	314.345	1.487	50	20	DDGD	
Cc1cc(N2CCOCC2)ccc1NC(=O)NNC(=O)C(C)C	770333758	VWEDYUPBOJZMDE-UHFFFAOYSA-N	320.393	1.640	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H]1CCCCN1Cc1ccncc1	1116032265	UVZSBGADGDSABM-CQSZACIVSA-N	319.409	1.175	50	20	DDGD	
COc1cccc(F)c1C(C)=NNC(=O)C[n+]1ccccc1	1116871678	RRXCTUKZVRHOCL-UHFFFAOYSA-O	302.329	1.662	50	20	DDGD	
CNC(=O)c1ccc(OC)c(NC(=O)NCC(Cl)Cl)c1	878272894	FBNIVBHMNQBSML-UHFFFAOYSA-N	320.176	1.980	50	20	DDGD	
CO[C@H]1CCC[C@@H]1CNC(=O)NNC(=O)c1ccccc1F	774786020	IBTDWIQHNJHKEO-MFKMUULPSA-N	309.341	1.585	50	20	DDGD	
CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)NNC(=O)C(C)C	775776587	DGOKEHDZMNTFOZ-MFKMUULPSA-N	311.357	1.888	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)OC[C@@H]2CCCO2)cc1O	882048998	WBYDPRAPCYXVTL-AAEUAGOBSA-N	322.361	1.046	50	20	DDGD	
COC[C@@H](C)n1ccc(NC(=O)NNC(=O)CC(F)(F)F)n1	779935655	MKPUMTXNVNGDQT-SSDOTTSWSA-N	323.275	1.196	50	20	DDGD	
COc1cc(NC(=O)NNc2ccccc2[N+](=O)[O-])ncn1	775693652	OOGKMSUQFFTEEI-UHFFFAOYSA-N	304.266	1.542	50	20	DDGD	
N#Cc1ccc(NNC(=O)N[C@H]2CCN(CC3CC3)C2)nc1	888316212	OBJQSYWNUGOIBI-ZDUSSCGKSA-N	300.366	1.064	50	20	DDGD	
CC[C@H](Cc1ccccc1)NC(=O)NNC(=O)C1CCOCC1	883315972	GCWJIELMGIDBTG-OAHLLOKOSA-N	319.405	1.765	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)c1nccs1	770433198	BWUSMWZNXOKOEI-UHFFFAOYSA-N	300.343	1.559	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(OC)cc1OCC=C	887146654	GCZJYQFGNWGHLV-UHFFFAOYSA-N	316.357	1.825	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCCC(=O)C2CC2)cc1O	882050550	CPBPOMUXIKADFQ-UHFFFAOYSA-N	304.346	1.611	50	20	DDGD	
CCc1csc(NC(=O)C(=O)NN(C)c2ccccc2)n1	789750454	INRBTFQIRSXQEI-UHFFFAOYSA-N	304.375	1.812	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H](CO)C[C@H](O)c1ccccc1	882014100	CXVHEDWZNIGBHM-OLZOCXBDSA-N	321.826	1.019	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC[C@@H]1C1OCCO1	888439441	OSMXVKBPBBVEKO-NRMKIYEFSA-N	314.341	1.663	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNc1cncc(Br)c1	1330671841	NPJPLLKWNUNCQE-JTQLQIEISA-N	315.171	1.202	50	20	DDGD	
CNC(=O)c1cccc(NC(=O)NNc2ccc(OC)cn2)c1	782014266	GDWGJRLHNGEAIW-UHFFFAOYSA-N	315.333	1.598	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@H]1Cc2cc(F)ccc2O1	899995334	MTPRGFGDKRUTIY-NSHDSACASA-N	311.382	1.423	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCC(C)CC1)c1cc(C)nn1C	788976597	GEVLZNWBMOJXJH-ZDUSSCGKSA-N	319.453	1.937	50	20	DDGD	
COCCN(C)NC(=O)[C@H](NC(C)C)c1ccc(OC)cc1	897721923	ONLGWTYBINCXSZ-OAHLLOKOSA-N	309.410	1.344	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1csc(N2CCCCC2)n1	897860626	MXGRZDVZHSKBKS-UHFFFAOYSA-N	308.407	1.695	50	20	DDGD	
Cc1cnc(Cl)c(NC(=O)NNC(=O)c2cnn(C)c2)c1	787448008	YYSDABFAXIFUCU-UHFFFAOYSA-N	308.729	1.243	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NNC(=S)NC(C)(C)C	899992835	MMDGDFVTGUSDFU-KWQFWETISA-N	309.439	1.369	50	20	DDGD	
CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NN=c1cc[nH]cc1	781019346	GGHBLMKQYHCSQQ-OCCSQVGLSA-N	319.409	1.167	50	20	DDGD	
COCc1ncsc1C(=O)NNC(=O)Cc1ccc(F)cc1	785701620	MBTMXYPFIWAPPZ-UHFFFAOYSA-N	323.349	1.432	50	20	DDGD	
CCc1ncsc1NC(=O)C(=O)NNc1ccc(OC)cc1	783036017	LAMSCKIRUDRQRA-UHFFFAOYSA-N	320.374	1.796	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CCc2cn[nH]c2)cc1C	899937983	XPNCMPJUZBELLX-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
CCOC(=O)N(C)CCCC(=O)NNC(=O)c1ccccc1C	895513248	WQWAOMHHZUXWPW-UHFFFAOYSA-N	321.377	1.625	50	20	DDGD	
COC(=O)C[C@H]1CCC(=NNC(=O)Cc2cccnc2)[C@H]1C	794508743	RPXKSAORECSMSO-WCQYABFASA-N	303.362	1.706	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@H]1CCN(CC(F)(F)F)C1	792450893	KSDAAZKWBREBGE-ZETCQYMHSA-N	323.706	1.457	50	20	DDGD	
CC[C@H](C)CC[C@H](O)CC(=O)NNC(=O)NCC(F)(F)F	798314698	XEZFVNAQTYILQX-IUCAKERBSA-N	313.320	1.456	50	20	DDGD	
Cc1ccn(-c2ccc(NC(=O)NNC(=O)C(C)C)cc2)n1	794399480	ZNGPILAAKIHXMW-UHFFFAOYSA-N	301.350	1.989	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C1CCCC1)c1ccc2c(c1)OCO2	794221625	LYMQJSXKVYZKNA-SNVBAGLBSA-N	304.346	1.856	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)COC(F)F)c1	794608314	JIJDYXMFZJYVRT-UHFFFAOYSA-N	302.277	1.069	50	20	DDGD	
C[C@H](CC(=O)OC(C)(C)C)NC(=O)NNC(=O)C(C)(C)C	1318372133	FUSPGRLUJRUSJR-SECBINFHSA-N	301.387	1.483	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2(C#N)CCCCC2)cc1	1318057350	MEZCAEYVUOIMIO-UHFFFAOYSA-N	301.346	1.930	50	20	DDGD	
CCOc1ccc(C(=O)NNc2ccnc(N(C)C)n2)cn1	1318705477	JUHVRMOSGNPMPX-UHFFFAOYSA-N	302.338	1.093	50	20	DDGD	
C=C[C@H](COC)NC(=O)NNC(=O)c1ccc2ccccc2c1	1321378055	ZVFOLCJYTWYFPT-OAHLLOKOSA-N	313.357	1.985	50	20	DDGD	
COc1cccc(C[C@H](O)C(=O)NNc2ncccc2F)c1	1328262782	ZABPPOMZNCSEAW-ZDUSSCGKSA-N	305.309	1.276	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)ccn1	1248688073	DUDYEGUZUQHLPA-UHFFFAOYSA-N	316.273	1.073	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)c3ccoc3Cl)nc21	1320782623	NXHWBTABWQNMCP-UHFFFAOYSA-N	308.685	1.072	50	20	DDGD	
CC[C@H](C)n1nccc1C(=O)NNC(=O)c1cccc(C)n1	1337422761	CHYQCOIJEXDNES-NSHDSACASA-N	301.350	1.632	50	20	DDGD	
CC(=O)c1ccc(OCCCC(=O)NNc2ccn(C)n2)cc1	1256184269	MDIJMMCSALEGFG-UHFFFAOYSA-N	316.361	1.925	50	20	DDGD	
CC(=NNC(=O)C1CCOCC1)c1c(C)nc2sccn12	1330902601	HYNXGDTWURXFKJ-UHFFFAOYSA-N	306.391	1.971	50	20	DDGD	
CC(C)n1nccc1NC(=O)C(=O)NNc1cccc(F)n1	1346617071	IBHXIROXCREJMI-UHFFFAOYSA-N	306.301	1.080	50	20	DDGD	
Cc1ccccc1OCCC(=O)NNC(=O)[C@H]1CCCCO1	1261272860	XNXURXZWGBWWJI-CQSZACIVSA-N	306.362	1.480	50	20	DDGD	
O=C(NNc1cncc(Br)c1)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	1345041595	AONZQOYMIXLVER-XROYCOCOSA-N	324.178	1.902	50	20	DDGD	
CCOC(=O)NN=Cc1ccc(OCC(=O)O)c(Cl)c1	1776028581	MKPAIRQRUBJFBZ-UHFFFAOYSA-N	300.698	1.883	50	20	DDGD	
CC(C)CN(C)C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1347966487	HFRLLVLKZVNFBH-CABZTGNLSA-N	305.216	1.391	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=O)c2cccc(C)n2)c1C	1353677675	GKPCLYUMRIEIEY-UHFFFAOYSA-N	301.350	1.380	50	20	DDGD	
CCNc1ncc(C(=O)NNC(=O)CC(F)(F)F)cc1Cl	1528502518	UAKMKEDTPAHJJL-UHFFFAOYSA-N	324.690	1.880	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNc1ccc(-c2nn[nH]n2)cc1	1602742659	IKHLTCDRMCTQEY-UHFFFAOYSA-N	318.340	1.534	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNc1ccc(-c2nn[nH]n2)cn1)C1CC1	1603229826	YJWADZYUYGWWGD-GFCCVEGCSA-N	316.369	1.322	50	20	DDGD	
CCOCC(=O)NN[C@H](C(=O)O)c1ccccc1C(F)(F)F	1605618886	PTRCMTYVTXDAPY-NSHDSACASA-N	320.267	1.488	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)CC1(CC(=O)O)CCCC1	1607887385	GMDMBDYEHDTFFE-UHFFFAOYSA-N	319.361	1.576	50	20	DDGD	
Cc1cc(S(=O)(=O)NCCCSC#N)oc1C(=O)O	1600298993	PQEYYRNHXJCIFZ-UHFFFAOYSA-N	304.349	1.169	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@H]2C[C@@H](C(=O)O)C2)c2ccccc21	1600931741	DMNJPRBZQBSISW-AOOOYVTPSA-N	315.329	1.050	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)C(=O)NNc1cccc(C(=O)O)c1	1609750271	OIOQECMBNBYSIL-JTQLQIEISA-N	302.334	1.440	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccn(C(F)F)n2)c(F)c1	1602382897	ILABSBYSXNWEQL-UHFFFAOYSA-N	314.223	1.872	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC[C@H]1C(=O)O)Nc1cc(F)cc(F)c1	1608479312	YISAQSNGGYQKQF-VHSXEESVSA-N	313.260	1.228	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)s1)[C@H]1CN2CCC[C@H]2CO1	1549316277	FMAMQHUUUGXKKV-GXSJLCMTSA-N	313.810	1.715	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)c1cccc([N+](=O)[O-])c1O	1610852619	ZTDVJIIOWDMYFW-UHFFFAOYSA-N	317.257	1.756	50	20	DDGD	
O=C(NN=Cc1ccc2occc2c1)[C@H]1CN2CCC[C@H]2CO1	1549319087	GHTQQZKTSWLYRD-GOEBONIOSA-N	313.357	1.746	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H](C(C)C)[C@@H](C)N)c1	1579672615	JXXWDZZFYSHDDX-CZUORRHYSA-N	321.421	1.449	50	20	DDGD	
CC[C@@H]1NCC[C@H]1C(=O)NNC(=O)COc1cc(C)ccc1C	1577308607	OAXRJYHDOYOPMN-KGLIPLIRSA-N	319.405	1.218	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)C[C@H](C)N)cc1OC	1577471168	OHVBUPFIUSVOCP-NSHDSACASA-N	323.393	1.372	50	20	DDGD	
COC[C@]1(C(=O)NNc2ccnc(C(F)(F)F)c2)CCNC1	1578977031	PVFVJKNTWWRZJE-LBPRGKRZSA-N	318.299	1.170	50	20	DDGD	
C[C@@]1(CNC(=O)/C(C#N)=C\c2ccc(F)cc2)CNCCO1	1576507748	FLBNSHXLXGNPAY-RQPMMQJISA-N	303.337	1.227	50	20	DDGD	
COc1cccc(C[C@H](N)C(=O)NNc2c(F)cccc2F)c1	1579275495	WZNIZDDIOPLOSC-AWEZNQCLSA-N	321.327	1.987	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cccn2C)C1	1842363490	FEWJJELIJSMAOG-GFCCVEGCSA-N	323.824	1.860	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(=O)C1CC1	1847520678	BYYFAVLVZPXPSL-SRVKXCTJSA-N	312.797	1.185	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](C)OC)C2	1841670602	INULDSHLVBAOCE-NEPJUHHUSA-N	316.829	1.632	50	20	DDGD	
O=C(c1cnco1)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846387030	ZNEVMYXCRSQWFJ-UHFFFAOYSA-N	318.160	1.295	50	20	DDGD	
O=C(O)c1cnc(C(=O)NNc2ccc(F)c(Cl)c2)cn1	1595266322	HZFUFMHXEYBODQ-UHFFFAOYSA-N	310.672	1.724	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@@H]1CN(CCC(=O)O)CC(=O)OC(C)(C)C	1594187752	KXRJPEDYEAYMIB-CWSCBRNRSA-N	305.802	1.978	50	20	DDGD	
N#Cc1cc(NC(=O)NNc2ccc(-c3nn[nH]n3)cc2)ccn1	1592689161	GVKSJCMLOXYVTD-UHFFFAOYSA-N	321.304	1.282	50	20	DDGD	
Cc1cc[nH]c1C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1592073036	IZZCBFNMWIEXFP-UHFFFAOYSA-N	316.325	1.372	50	20	DDGD	
Cc1cc(Br)cnc1NNC(=O)C(C)(C)C(=O)O	1594273427	JWZOFZGENZRPOK-UHFFFAOYSA-N	316.155	1.706	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cccc(O)c1O	1593167383	IETPENCRIWPFGM-UHFFFAOYSA-N	312.289	1.035	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccc(C(=O)O)s2)n1	1594298191	GFFDSAUNDIMYJA-UHFFFAOYSA-N	306.347	1.410	50	20	DDGD	
O=C(Cc1ccccc1C(=O)O)NN=c1cc[nH]c2cccnc12	1594709729	JUQGHRPYCFDGOZ-UHFFFAOYSA-N	322.324	1.436	50	20	DDGD	
Cc1cccc(NNC(=O)c2cc(C)c(-c3nn[nH]n3)cn2)n1	1592235820	WYYDVZCPVXKWQD-UHFFFAOYSA-N	310.321	1.030	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=Cc1cccc(OCC(=O)O)c1	1776102568	SOWKFIXQGILPAB-QWHCGFSZSA-N	306.318	1.025	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)c1ccc2nccnc2c1	15794596	TYQHXQMWRVFPFQ-UHFFFAOYSA-N	310.288	1.844	50	20	DDGD	
CNS(=O)(=O)c1cc(C(=O)NNc2cccc(F)c2)co1	161083241	ZIPIEODGXMDYLK-UHFFFAOYSA-N	313.310	1.084	50	20	DDGD	
NC(=O)NC1(C(=O)NN=C(c2ccccc2)c2ccccc2)CC1	158815434	PYDCAEQERYWMEY-UHFFFAOYSA-N	322.368	1.756	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ncn(-c2ccccc2)n1	160581526	WEQKMZUPYDUEAG-UHFFFAOYSA-N	318.406	1.175	50	20	DDGD	
CCc1nn(C)c(Cl)c1C(=O)NNC(=O)c1ccccc1	156510670	QOANZWGDWDKUGB-UHFFFAOYSA-N	306.753	1.711	50	20	DDGD	
CN(C[C@@H](O)C1CC1)S(=O)(=O)c1ccc(CCCl)cc1	690249595	NYGALTAKRNFNMY-CQSZACIVSA-N	317.838	1.859	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)c2cc3c(s2)CCC3)cn1	21782011	DBFJSRFMPJGHOC-UHFFFAOYSA-N	302.359	1.410	50	20	DDGD	
Cc1nnc(NNC(=O)c2cc(-c3cccs3)on2)nc1O	23311983	ILLBAZPDYBUQFS-UHFFFAOYSA-N	318.318	1.359	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1c(F)cccc1F	118515235	CCGOBSKTAARNKL-UHFFFAOYSA-N	301.293	1.886	50	20	DDGD	
CC(=O)Nc1ccc(F)c(C(=O)NNc2nc(C)cc(C)n2)c1	53273794	IYUSFCCBBRZGGU-UHFFFAOYSA-N	317.324	1.948	50	20	DDGD	
COC[C@H]1CN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)CCO1	177293727	PKNKFNQEDAZLCV-SMCAMXITSA-N	303.318	1.806	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(C(C)C)nn2C)c(O)c1	175313632	DNJSRRHAXLMEAO-UHFFFAOYSA-N	316.361	1.632	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@@H](c1ccc(OC)cc1)C1CC1	111196800	TUUUAFYOJIDDDD-MEDUHNTESA-N	319.405	1.682	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)C(=O)Nc1ccc(Cl)cc1	176589106	FHVOJZCPHZOOGS-UHFFFAOYSA-N	318.720	1.135	50	20	DDGD	
NCCCCNC(=O)NNC(=O)c1ccc(Cl)cc1Cl	1261377414	RJAKMKDGEBTMPI-UHFFFAOYSA-N	319.192	1.676	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1ccnc(-n2ccnc2)c1	114894297	SDOKZQXHVUKMJM-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	65772887	BAFNEYLLYJDQLU-UWVGGRQHSA-N	324.356	1.612	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccc(Cl)cc2C1)NC1CC1	68270271	IDQRSTZVVVXBJI-SECBINFHSA-N	309.753	1.384	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1csc(C(C)C)n1	179545979	NCIAIOYZTMIBOO-UHFFFAOYSA-N	318.493	1.738	50	20	DDGD	
CCN(C)[C@@H](C(=O)NNc1ncc(F)cn1)c1ccccc1	123129776	OYLNUDFPTJIYGU-CYBMUJFWSA-N	303.341	1.752	50	20	DDGD	
CC(C)S(=O)(=O)CCNC(=O)c1cccc(CCl)c1	311506239	MROHAIRVUKUEOI-UHFFFAOYSA-N	303.811	1.978	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)Nc2ccnn2C)cc1	125364966	SKSSBTZETPGTFT-UHFFFAOYSA-N	319.390	1.674	50	20	DDGD	
O=C(NCc1ccnc(-n2cccn2)c1)NNc1ccccn1	124583421	VYJOXDIHXKTUGU-UHFFFAOYSA-N	309.333	1.489	50	20	DDGD	
O=C(NNC(=O)c1noc2c1CCCCC2)c1ccncc1	121910726	ZMGXDEBHBPMFLQ-UHFFFAOYSA-N	300.318	1.413	50	20	DDGD	
Cn1cc(-c2nc(C(=O)NNC(=O)OC(C)(C)C)cs2)cn1	120101406	BEBAJKYNHBSULK-UHFFFAOYSA-N	323.378	1.713	50	20	DDGD	
Cc1cc(C)c2cc(C(=O)NNC(=O)Cc3cc[nH]n3)[nH]c2c1	186124450	RWUBGKPDVZCAHR-UHFFFAOYSA-N	311.345	1.512	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCc2cccc3c2OCO3)o1	184957728	MZRYECXSIRQJCD-UHFFFAOYSA-N	316.313	1.711	50	20	DDGD	
O=C(Cc1ccccc1O)NNc1nc(-c2ccncc2)no1	76452635	FBGDMXWEDNXDIF-UHFFFAOYSA-N	311.301	1.523	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1ccc(F)cc1F	123164602	PBBSCQGQGMZVPV-UFBFGSQYSA-N	313.304	1.535	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc2scnc2c1	184156548	HTXCZHSWXZGOBI-QMMMGPOBSA-N	320.374	1.428	50	20	DDGD	
C[C@H](Oc1ccc(F)c(F)c1)C(=O)NNC(=O)C(C)(C)C	123773799	WURNUMSWRQFBEI-QMMMGPOBSA-N	300.305	1.926	50	20	DDGD	
C[C@H]1C[C@H](C)CN(CCCNC(=O)NNC(=O)c2ccc[nH]2)C1	127292139	FFSMCTHZRICEPJ-STQMWFEESA-N	321.425	1.327	50	20	DDGD	
CC(C)C(=O)Nc1ccc(C(=O)NNc2ncc(F)cn2)cc1	123345874	BVEWWANPYRWJJZ-UHFFFAOYSA-N	317.324	1.967	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccnc(Cl)c2F)n1	126914757	YXBUPFDOWKRGOI-UHFFFAOYSA-N	311.704	1.738	50	20	DDGD	
CO[C@H](C)CCC(=O)NNC(=O)c1cccc(OC(F)F)c1	181343166	FSTPFFVAPCKHRM-SECBINFHSA-N	316.304	1.864	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc3ccn(C)c3c2)[nH]n1	186106756	XUMHYLOIFKZEGY-UHFFFAOYSA-N	312.333	1.676	50	20	DDGD	
CN(C)c1ccc(NC(=O)C(=O)NNc2ccc(F)cc2)cc1	181355831	HMDSNIOXVQIBFM-UHFFFAOYSA-N	316.336	1.974	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1ccncc1Cl	72935103	VWSOWNCQDZQTNR-UHFFFAOYSA-N	323.711	1.714	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NNc1nc2ccccc2cc1C	181325429	XMPIOUYSBZZNQS-CYBMUJFWSA-N	315.377	1.823	50	20	DDGD	
CO[C@@H](C)CCC(=O)NNC(=O)COc1cc(C)cc(C)c1	182964959	ZOHDCZKXLCPAGF-ZDUSSCGKSA-N	308.378	1.645	50	20	DDGD	
O=C(CO)NNC(=O)CCCc1ccc2c(c1)-c1ccccc1C2	180951527	GJWOQMZTYVQLIN-UHFFFAOYSA-N	324.380	1.720	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H](C)OCC2CC2)c(C)c1	76960367	LKHYMAKLTRXSFF-ZDUSSCGKSA-N	319.405	1.678	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2)on1)c1csnn1	79391460	QYWDKKGMNICQSQ-UHFFFAOYSA-N	315.314	1.268	50	20	DDGD	
COCCOCCC(=O)NNC(=O)c1ccc(Cl)cc1	49065741	RVEPPCAMILYPOY-UHFFFAOYSA-N	300.742	1.154	50	20	DDGD	
CC(=O)NNC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1	130167934	UJTTZTIHFLJBKO-UHFFFAOYSA-N	312.251	1.672	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)C(=O)NNC(=O)c1ccc(Cl)nc1	131224080	JYTNASQRBWZBLH-ZETCQYMHSA-N	321.768	1.640	50	20	DDGD	
Cc1nn2cccnc2c1C(=O)NNc1ccc([N+](=O)[O-])cc1	134065573	UXZXEXOTOHCUMA-UHFFFAOYSA-N	312.289	1.703	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1	195172774	BHXJBELITSEOHE-LLVKDONJSA-N	318.377	1.168	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CC(C)(C)CC(C)=O	191840447	CXSWIJXILMAHOE-UHFFFAOYSA-N	306.362	1.852	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2cc(C)ccn2)cc1	190048752	YLTFLWYIJUVUAK-UHFFFAOYSA-N	300.318	1.480	50	20	DDGD	
Cc1ccn(CC(=O)NNC(=O)c2cccc(Cl)c2)c(=O)c1	194363277	SMJJAANECHOOCZ-UHFFFAOYSA-N	319.748	1.271	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(-n2cccn2)cc1C	190815831	BRJSNYYBBFIGLA-UHFFFAOYSA-N	317.349	1.370	50	20	DDGD	
O=C(NCC1CCCC1)NNC(=O)[C@H]1COc2ccccc2O1	47014974	LRUPAUCMJNYMJA-CQSZACIVSA-N	319.361	1.347	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1csc(-c2ccc(F)cc2)n1	194928176	SMQVKOVSWXIJLX-UHFFFAOYSA-N	308.338	1.865	50	20	DDGD	
O=C(NNc1ccncc1Cl)c1sccc1-n1cnnn1	135893320	AMLMXCJGFOAZGJ-UHFFFAOYSA-N	321.753	1.529	50	20	DDGD	
CCO[C@@H](CNC(=O)NNC(=O)c1ccc[nH]1)c1ccccc1	195176666	UOFCQTLPWJCSLZ-AWEZNQCLSA-N	316.361	1.737	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCCOCCO)c1C	192687397	LIFFDCPDMAYKGV-LFIBNONCSA-N	319.405	1.547	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NN=Cc1ccc(O)cc1	252639178	YIMZYVCRCWJFJD-UHFFFAOYSA-N	315.285	1.830	50	20	DDGD	
O=C(NNC(=O)C1(OCc2ccccc2)CCOCC1)C1CC1	269438379	IRVQBRHWVMBKEZ-UHFFFAOYSA-N	318.373	1.310	50	20	DDGD	
O=C(NNc1cccnn1)c1ccc(OC2CCOCC2)cc1	266424902	BJMGAWFQALSZBO-UHFFFAOYSA-N	314.345	1.791	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(CC)c(S(N)(=O)=O)c1	269506982	ZHWHAQNYXYBRQE-PKNBQFBNSA-N	323.374	1.279	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNC(=O)c1cccc(OC)c1O	264264295	UTSVJTSZBVJBMI-GFCCVEGCSA-N	321.377	1.036	50	20	DDGD	
O=C(CC[C@H]1CCCCO1)NNC(=O)COc1ccccc1O	264801724	UJRBBMXKGNZDSS-GFCCVEGCSA-N	322.361	1.268	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1cc(F)c(F)c(F)c1	266053126	GTGIFPDTFJZOIX-UHFFFAOYSA-N	310.297	1.460	50	20	DDGD	
CN(CCCNC(=O)NNC(=O)C1CCC1)Cc1ccccc1	264685934	CHEBPYUJDSMWPM-UHFFFAOYSA-N	318.421	1.639	50	20	DDGD	
CC(C)(C)C(=O)NC1CCC(C(=O)NNc2ncccn2)CC1	279041703	QJPMUIWIXCLYOG-UHFFFAOYSA-N	319.409	1.641	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H](C)Cn2ccnc2)c1	272647423	JJVAIBMIAJPYPI-NSHDSACASA-N	317.349	1.385	50	20	DDGD	
CNC(=O)c1ccc(Cl)c(NC(=O)NNC(=O)C2CCC2)c1	272838112	OCUKPWSPPNWAIL-UHFFFAOYSA-N	324.768	1.652	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1	273682624	KRHWNYMIMFMTBV-UHFFFAOYSA-N	307.331	1.580	50	20	DDGD	
CC1CCN(C(=O)C(=O)NNc2cccc(F)c2[N+](=O)[O-])CC1	279149773	CVMCYXPJEFXUNY-UHFFFAOYSA-N	324.312	1.436	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1C1CC1)c1ccc2ccccc2n1	279694294	IMUQGQIMHFDJRO-INIZCTEOSA-N	324.384	1.623	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@H]1CCCN1C1CC1)c1ccccc1	279051707	PIYPINJQZWTEEG-OAHLLOKOSA-N	315.417	1.738	50	20	DDGD	
Cc1cccnc1NNC(=O)NCc1nnc2n1CCCC2	276688622	JSQMQKVBIUUEBU-UHFFFAOYSA-N	301.354	1.144	50	20	DDGD	
CCOC(=O)Cc1cccc(NC(=O)NNC(=O)C2CC2)c1	274170522	WJXZCMYQONWESK-UHFFFAOYSA-N	305.334	1.355	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNC(=O)C2CC2)c(C)cc1C	276440632	KPFSOIKDIBFIFZ-UHFFFAOYSA-N	305.334	1.653	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)cc1	275717075	YTPUXHKJUMWSRE-LSDHHAIUSA-N	316.361	1.650	50	20	DDGD	
CCc1cnc(CNC(=O)NNC(=O)c2cccc(C)n2)s1	280980614	UJDCJOTVRILCBP-UHFFFAOYSA-N	319.390	1.553	50	20	DDGD	
CCC(CC)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	281174778	JCLXMLFHKFZZSN-UHFFFAOYSA-N	305.378	1.826	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1cccc(=O)n1C	808029115	HZVVDTGVVNVHNE-UHFFFAOYSA-N	319.292	1.068	50	20	DDGD	
CC(=O)NNC(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1	299534837	HPWJDMKBXFDBQJ-UHFFFAOYSA-N	321.768	1.825	50	20	DDGD	
O=C(C[C@@H]1CCCC(=O)N1)NNc1cccc(F)c1[N+](=O)[O-]	290187273	OFFCZRSEZMNBQK-QMMMGPOBSA-N	310.285	1.236	50	20	DDGD	
Cc1cc(CNC(=O)NNc2ccc3c(=O)[nH]ccc3c2)n[nH]1	806836195	QIUQETDMRXUPCP-UHFFFAOYSA-N	312.333	1.386	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2ccc(F)c(F)c2F)O1	292738429	IZNYHFRPGBSYKX-RCOVLWMOSA-N	317.267	1.824	50	20	DDGD	
CCCN(CC)C[C@@H](C)NC(=O)NNc1nc(C)cc(C)n1	291078487	XWZVLNXOCALLRG-CYBMUJFWSA-N	308.430	1.840	50	20	DDGD	
O=C(C[C@H]1CCCC(=O)N1)NNC(=O)Nc1ccc(Cl)cc1	291575295	FKZSLGJIZZWBSX-LLVKDONJSA-N	324.768	1.552	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2c(F)cccc2F)ccn1	806983802	HMZMWNFVKQDOJE-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1nccc(C(F)F)n1	807610210	OASNNWSMKRCISB-UHFFFAOYSA-N	301.297	1.291	50	20	DDGD	
CC(C)(C)OC(=O)NNS(=O)(=O)c1ccc(C(=O)O)cc1	298668548	SKMLKWUGCOKQFC-UHFFFAOYSA-N	316.335	1.103	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CCCN1C(=O)NC(C)(C)C1=O	808247548	FELOIBONGRIQNG-UHFFFAOYSA-N	324.208	1.359	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)C[C@H]1CCCC(=O)N1	809143452	UECQSQIWHVJHLN-GFCCVEGCSA-N	323.780	1.089	50	20	DDGD	
C[C@@H](Cc1cnc2ccccc2n1)C(=O)NNC(=O)C1CCC1	293952397	ZJGGZDCXLWJDDW-NSHDSACASA-N	312.373	1.756	50	20	DDGD	
O=C(Cc1ccncc1)NN=C1CCO[C@@H](C(F)(F)F)C1	814862618	NYELAFBYIBGXLT-LLVKDONJSA-N	301.268	1.838	50	20	DDGD	
Cc1nn(C)c(Cl)c1C=NNC(=O)CNc1ccccc1	812487013	QHJIOJGFYHQARY-UHFFFAOYSA-N	305.769	1.944	50	20	DDGD	
CC(C)[C@@H](NS(=O)(=O)c1ccc(CCCl)cc1)C(=O)O	817951526	SIUYPHODPDPRID-GFCCVEGCSA-N	319.810	1.855	50	20	DDGD	
CC(C)S(=O)(=O)c1ccc(CC(=O)NN(C)C2CC2)cc1	819649695	IQKYUKSGBZLFOW-UHFFFAOYSA-N	310.419	1.537	50	20	DDGD	
O=C(CNC(=O)c1ccc2c(c1)OCO2)NCC(Cl)Cl	816605742	JZSSSLPRZJOEBO-UHFFFAOYSA-N	319.144	1.065	50	20	DDGD	
CC(CCc1ccc(OCC(=O)O)cc1)=NNC(=O)CN(C)C	814832289	LCRNTIBAVQVHGJ-UHFFFAOYSA-N	321.377	1.136	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC(F)(F)[C@H](C)C1	810045645	SCCYOYAGZQHMRB-MNOVXSKESA-N	305.369	1.546	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H]2CCCOC2)c1	819036773	HBAGTYJCEPHIQF-LBPRGKRZSA-N	303.387	1.412	50	20	DDGD	
Cc1cc(C#N)cnc1C(=O)NNC(=O)COCc1ccccc1	815665176	RZXOFWHJVGXJPM-UHFFFAOYSA-N	324.340	1.240	50	20	DDGD	
COc1cnc(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])nc1	815037964	AWPAAKFEPIZYGO-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1cccc(O[C@@H](C)C(=O)O)c1	814910131	RKDVTBGUMXQDLD-JTQLQIEISA-N	308.334	1.150	50	20	DDGD	
CC[C@@H](c1cccc(OC)c1)N(C)CC(=O)NNC(=O)C(C)C	829910920	OGYXWMUOWOBURT-HNNXBMFYSA-N	321.421	1.882	50	20	DDGD	
COc1ccccc1C(=O)NN=Cc1ccccc1-c1nn[nH]n1	826217992	KOXOTWAMFVTRTK-UHFFFAOYSA-N	322.328	1.639	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)Cc1ccccc1C	726076749	BBIKNEMOWJWQBN-UHFFFAOYSA-N	309.435	1.412	50	20	DDGD	
O=C(Cn1nc(C(F)F)cc1C1CC1)NNc1ccncn1	823279039	FWOGSNKKZAGMSJ-UHFFFAOYSA-N	308.292	1.631	50	20	DDGD	
O=C(CSC[C@H]1CCCCO1)NNC(=O)c1ccncc1	727363148	RXTDRYWWLPJQCL-GFCCVEGCSA-N	309.391	1.145	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N(C)Cc2ncc[nH]2)cc(C#N)n1C	490944065	VEIFYFMUTZXCSF-MLPAPPSSSA-N	308.345	1.494	50	20	DDGD	
Cc1cc(C(=O)NN(C)[C@@H](C)CO)nn1-c1cccc(C#N)c1	823939973	SCZWVBMUXAFMAY-LBPRGKRZSA-N	313.361	1.010	50	20	DDGD	
Cc1cccc2sc(NNC(=O)C3(CO)CCOCC3)nc12	828359229	XGRWMKJYDXKIFA-UHFFFAOYSA-N	321.402	1.837	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(C)n(-c2ccc(OC)cc2)n1	823869985	UNZPKAGEAMUSRR-UHFFFAOYSA-N	318.377	1.148	50	20	DDGD	
CCN(CCO)NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1	823842692	VHEOPBNPFQAPBA-UHFFFAOYSA-N	308.769	1.689	50	20	DDGD	
CC(C[C@@H]1CCOC1)=NNC(=O)c1cccc(-c2nn[nH]n2)c1	820235980	WAMGRWVIUVQHJC-NSHDSACASA-N	314.349	1.399	50	20	DDGD	
CCN(CCO)NC(=O)c1cnc(Oc2ccccc2)cn1	823874216	OEBUPSKLLDVAHL-UHFFFAOYSA-N	302.334	1.228	50	20	DDGD	
N#Cc1ccc(CC(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1	826384848	LTIUDTIHYPXRJZ-UHFFFAOYSA-N	319.328	1.424	50	20	DDGD	
C[C@]1(C(=O)NCCc2nnc3ccccn23)C[C@@H]1Br	905397486	XEFBNZMELIGISQ-ZANVPECISA-N	323.194	1.562	50	20	DDGD	
COC(=O)C[C@@H]1CCCN1C(=O)[C@@]1(C)C[C@@H]1Br	907081624	GTKPRJIEPAEQNY-AUTRQRHGSA-N	304.184	1.714	50	20	DDGD	
Cc1nn(-c2ccccc2)c(C)c1C(=O)NN(C)C[C@@H](C)O	821216957	BJVFWUMRBVMFKO-LLVKDONJSA-N	302.378	1.447	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](C)C1CCN(C(=O)OC)CC1	490662379	BDNFKTHTYXBOEU-COVOJHCQSA-N	309.366	1.413	50	20	DDGD	
CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1ccc(B(O)O)c(F)c1	584963530	UTLXBMVYRJTEJP-ABAIWWIYSA-N	307.174	1.546	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNC(=O)c2ccccc2F)cc1	821544208	JWBUDBDLHQNFDR-UHFFFAOYSA-N	302.261	1.599	50	20	DDGD	
O=C(C[C@H]1CCOC1)NNC(=O)c1cnn(-c2ccccc2)c1	739568345	URUKDOKANPPXCW-GFCCVEGCSA-N	314.345	1.060	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@H](C2CC2)[C@H](CO)C2CC2)cn1	491100452	AVNKTULKKODNGF-KOBNLHKSSA-N	314.389	1.240	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(Br)cc(OC)c1	494045084	WPCJLDJSOZKJTQ-UHFFFAOYSA-N	318.127	1.850	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@H](CO)C(C)C)cc(C#N)n1C	490944655	XEBBWXYMDFYDTD-ZXZGFYSFSA-N	314.389	1.493	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)N=c1cc[nH]cc1)[C@@H]1C[C@H]2CC[C@H]1C2	837321646	YJSTUPPHIFTQRR-MNXVOIDGSA-N	317.393	1.664	50	20	DDGD	
Cc1cc(NNC(=O)C2CCN(C(=O)C(C)C)CC2)ncn1	734253982	DUGBCBGVCLULJF-UHFFFAOYSA-N	305.382	1.123	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C[C@](C)(CN(C)C)c1ccccc1	834932708	JGBXWGDVCUEBHX-QGZVFWFLSA-N	318.421	1.133	50	20	DDGD	
CC(C)CCn1cc(C(=O)NNc2ccccc2C(=O)O)nn1	833484022	JJMSWTVINOTXPD-UHFFFAOYSA-N	317.349	1.779	50	20	DDGD	
C[C@]1(C(=O)N2CCOC3(CCOCC3)C2)C[C@@H]1Br	907058167	VNKOSEAPDJEJCP-JQWIXIFHSA-N	318.211	1.568	50	20	DDGD	
C[C@@H]1CCC[C@H](OCC(=O)NNc2ccc(C(=O)O)cn2)C1	833609793	SMABRKOAXTZVMQ-PWSUYJOCSA-N	307.350	1.818	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)c2cccc(OC(F)F)c2)n1	834953603	KJOGAYCRIOLEQE-UHFFFAOYSA-N	323.303	1.972	50	20	DDGD	
C[C@H](c1ccc(C(=O)NNC(=O)CN(C)C)cc1)C(F)(F)F	839640085	PKAKOUVGNJQNOF-SECBINFHSA-N	317.311	1.675	50	20	DDGD	
CC[C@@H](c1ccncc1)N(CC)C(=O)c1cccc(B(O)O)c1	584951489	QZTBRRJEVORIDC-INIZCTEOSA-N	312.178	1.375	50	20	DDGD	
O=C(CN1CCC[C@H]1C[C@@H]1C[C@H]2CC[C@H]1C2)NNC(=O)C1CC1	733194702	JFLRLYVNIPWIDF-TUUVXOQKSA-N	319.449	1.835	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CN2CC[C@@H](C)C2)cc1C	736309929	ISVZGOVCPBPKEK-SNVBAGLBSA-N	309.435	1.722	50	20	DDGD	
CC(C)N(CC(=O)NNC(=O)c1ccc(C#N)cc1)C1CC1	839463209	AVVBICPSCTVCKP-UHFFFAOYSA-N	300.362	1.192	50	20	DDGD	
Cc1ccsc1CN(C(=O)c1ccc(B(O)O)cc1)C(C)C	584933806	LEZAZIVPAYLNBD-UHFFFAOYSA-N	317.219	1.787	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@H](O)c1cccnc1	731865841	TYRGHWZSCZJSRQ-CQSZACIVSA-N	319.748	1.159	50	20	DDGD	
O=C(CCOC[C@H]1CCCO1)NNc1cnnc2ccccc12	733808904	NAPVBSVEUWXZAT-GFCCVEGCSA-N	316.361	1.659	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)N[C@H]1CCC[C@@H]2C[C@H]12	838776445	NDIXXXPGRGRLLJ-WOPDTQHZSA-N	323.418	1.905	50	20	DDGD	
CN1C[C@H](NC(=O)NNc2cccc(Cl)c2Cl)CC1=O	838505682	GITGGOHTYZADMP-SSDOTTSWSA-N	317.176	1.850	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=Cc1ccc(C(=O)O)o1	833120430	ZNTZQHYTUPJDPH-UHFFFAOYSA-N	312.285	1.318	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2CCCN(C)C2=O)c(Cl)c1	838503862	GJRVKGFGGRLAEF-LBPRGKRZSA-N	310.785	1.895	50	20	DDGD	
CCOc1nc(C(F)(F)F)ccc1C(=O)NN(C)CCOC	837625664	UCFHTVPZYALTOP-UHFFFAOYSA-N	321.299	1.722	50	20	DDGD	
O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NNC(=O)C1CCC1	732292301	LNPJBQWWNPWETL-VDQHWBOFSA-N	306.406	1.655	50	20	DDGD	
CSc1cccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	831047582	STVQGSRZPLFJKR-JOYOIKCWSA-N	309.391	1.986	50	20	DDGD	
COCCN(C)NC(=O)/C=C\c1ccc(OCCN(C)C)cc1	837625573	QEFJYFLDBMFAIG-YFHOEESVSA-N	321.421	1.250	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)C1CCC(NC(=O)C(C)(C)C)CC1	910150314	PNFMKZXVDUURDH-HIFPTAJRSA-N	313.442	1.051	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)N[C@@H]1CC(=O)N(CC)C1	838675035	JYJGLVSTFGZPMP-CYBMUJFWSA-N	304.394	1.804	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@H]1CCCCO1)[C@@H]1C[C@H]2CC[C@H]1C2	837320427	HSQXDGAVNJDOTH-HTVCTNPSSA-N	309.410	1.711	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cnc(Cc2ccccc2F)s1	910159036	HDROUKLNWZTMHM-JTQLQIEISA-N	323.393	1.830	50	20	DDGD	
O=C(NNc1cc(O)nc2ncccc12)[C@@H]1CCCN1C1CC1	913990142	ASWRXYNHSFKXGS-ZDUSSCGKSA-N	313.361	1.405	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@H](C)Oc1cccc(C)c1	745875960	KMNRDXGYWAOORL-LBPRGKRZSA-N	309.366	1.129	50	20	DDGD	
N#CSCCCNS(=O)(=O)CCc1ccc(F)cc1	917007425	NTNDBRVCBQDWNQ-UHFFFAOYSA-N	302.396	1.892	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)NC1CCN(C2CCCC2)CC1	748982530	ISFOTTHKPCIOSS-UHFFFAOYSA-N	322.453	1.914	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1nn(-c2cccc(Cl)c2)cc1O	910145499	SSTDFNILEDDMJQ-VIFPVBQESA-N	324.768	1.189	50	20	DDGD	
CN(NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2)C1CC1	911295878	KFTRPKBCVWWSQL-UHFFFAOYSA-N	307.306	1.495	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CC1(O)CCCC1)c1ccccc1	746240276	ZGQOSVJGQQIKFV-UHFFFAOYSA-N	304.390	1.807	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(C(N)=O)o1	747228213	BJIXLXKBVDNNIY-UHFFFAOYSA-N	306.230	1.515	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1cc(=O)c2ccccc2o1	743471432	HHQFGMQDEFSIHG-UHFFFAOYSA-N	322.284	1.216	50	20	DDGD	
COc1ccc(OC(F)(F)F)c(C(=O)NN(C)C[C@@H](C)O)c1	910150771	VYXSFGFGYGEPPU-MRVPVSSYSA-N	322.283	1.551	50	20	DDGD	
Cc1ccc(-c2nc(CC(=O)NN(C)C[C@H](C)O)cs2)o1	910171550	XQOYWORLUQDORS-VIFPVBQESA-N	309.391	1.598	50	20	DDGD	
CNc1cc(Cl)ccc1C(=O)NNC(=O)NCC(F)(F)F	848032432	HYPKJAQNILTXTI-UHFFFAOYSA-N	324.690	1.888	50	20	DDGD	
CO[C@@H](C)[C@H](C)NC(=O)NNc1ncc(Br)cn1	847356705	HLUQXRHCJPXUKL-BQBZGAKWSA-N	318.175	1.289	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@@H](C)NC(=O)C1CCCC1	846643008	JGWPSIBGCGBDOB-SNVBAGLBSA-N	323.368	1.972	50	20	DDGD	
Cc1ccc(C=NNC(=O)Cc2cc(O)nc(S)n2)cc1C	915957229	HKFLXOMRKRTJNO-UHFFFAOYSA-N	316.386	1.781	50	20	DDGD	
COc1ccc2c(c1)[C@H](C(=O)NNC(=O)NC1CC1)CCC2	847391620	CNOQVKVUZHUUHI-CYBMUJFWSA-N	303.362	1.608	50	20	DDGD	
O=C(NN=Cc1cnn(Cc2ccccc2)c1)N1CCOCC1	745590809	GPXDQKAAWNZMPW-UHFFFAOYSA-N	313.361	1.307	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCc2ccccc2C1	844619567	HOFGRLBGUJOHLS-TUKIKUTGSA-N	302.374	1.364	50	20	DDGD	
CC(=NNC(=O)c1ccc(C#N)cc1)c1cc(C(N)=O)n(C)c1	747052327	FDPSYYFPSOWTQO-UHFFFAOYSA-N	309.329	1.150	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C1CC1	743842287	SMZXOYDKSBKRKD-AWEZNQCLSA-N	319.380	1.595	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)[C@H]1CCCS(=O)(=O)C1	845856092	QTQNVQRRSWUZRJ-JTQLQIEISA-N	300.355	1.402	50	20	DDGD	
CC(=O)c1ccccc1C(=O)NNC(=O)NCc1ccco1	746167418	QIAIYCJJXLHEPO-UHFFFAOYSA-N	301.302	1.626	50	20	DDGD	
CCN(C)S(=O)(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	746054281	PZBCYAHRCQMAEL-UHFFFAOYSA-N	315.439	1.020	50	20	DDGD	
Cc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	843648435	QNLBCVIQKAATFA-BZPMIXESSA-N	306.362	1.335	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(Cl)c2)CCN1	841984765	DIULERVTUIAPCR-SKDRFNHKSA-N	310.785	1.425	50	20	DDGD	
Cc1ccc2oc(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)cc2c1	843645722	NZSZJJDGLZOAHD-PWSUYJOCSA-N	302.330	1.927	50	20	DDGD	
C[C@H](OCC1CC1)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	920807214	AEWYUWNCLNZSEG-VIFPVBQESA-N	307.306	1.171	50	20	DDGD	
Cc1nc(CC(C)C)c(C(=O)NNC(=O)c2cc[nH]n2)s1	855357678	OTXZLVDJZXFPDF-UHFFFAOYSA-N	307.379	1.448	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCCO[C@H]1CCOC1	927523248	WACBONAJQVEZOT-AWEZNQCLSA-N	307.394	1.989	50	20	DDGD	
CCCOC(=O)CCNC(=O)NC[C@@]1(C)C[C@H]1Br	856900231	VAGDXQRKQMGBKZ-BXKDBHETSA-N	321.215	1.802	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H]2C[C@@H]2C2CC2)c1	751739980	CWLQUBMBZXUDKK-ZIAGYGMSSA-N	316.357	1.345	50	20	DDGD	
CC[C@H](C)[C@H](OC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)OC	922773671	ZDHBLZVGHWSGSV-VLMALBHFSA-N	305.334	1.458	50	20	DDGD	
C[C@@]1(CNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1Br	856892141	CETWZQMKNKWYPS-GPTQDWHKSA-N	303.200	1.779	50	20	DDGD	
COC(=O)N1CC(NC(=O)NNc2ccc(Cl)c(C)c2)C1	921547261	BYJXCTFLMSGNBV-UHFFFAOYSA-N	312.757	1.725	50	20	DDGD	
CC(CCc1ccco1)=NNC(=O)CNC(=O)c1ccco1	750937087	QKDDVUOGRAYGDI-UHFFFAOYSA-N	303.318	1.727	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)c2cccc(F)n2)[C@H](n2cncn2)C1	853445401	ZVFGYWIUJQNYAR-GXFFZTMASA-N	316.340	1.959	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=C1CCCn2ccnc21	853406806	UEGXOHLLDZORRG-UHFFFAOYSA-N	319.409	1.440	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NNC(=O)[C@]2(C)CC=CCC2)c1	857157782	HXGIOSFKTAZFNM-MRXNPFEDSA-N	316.361	1.547	50	20	DDGD	
CCOC(=O)NC1CCC(=NNC(=O)Cc2cc(C)[nH]n2)CC1	853285951	CYLGBRFPUWKHML-UHFFFAOYSA-N	321.381	1.422	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cccc(C(=O)NC)c1C	929540109	OJSLTVSCNBJETC-UHFFFAOYSA-N	316.361	1.311	50	20	DDGD	
COc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)CC(F)(F)F)cc1	854998040	YITBZBXDSJEKMF-WDEREUQCSA-N	316.279	1.899	50	20	DDGD	
C[C@H]1CC(=O)CC[C@H]1C(=O)NNC(=O)c1cccc(Cl)n1	857323594	SCLGAGQIPXCQEI-WCBMZHEXSA-N	309.753	1.501	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc3ccccc3n2)C1	858985857	SDYOLBZJRKZSIF-HAQNSBGRSA-N	314.345	1.356	50	20	DDGD	
COc1ccc(C#N)cc1NC(=O)NNC(=O)c1cccn1C	756273586	ICGVDTOHYLGOJD-UHFFFAOYSA-N	313.317	1.372	50	20	DDGD	
O=C(NCC1CCN(C2CC2)CC1)NNc1ncc(Cl)cn1	856890905	LDMYOVZHYVBIBT-UHFFFAOYSA-N	324.816	1.631	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNC(=O)c2ccccc2)c1	753936236	WETSTGBCNBMDSX-UHFFFAOYSA-N	313.313	1.095	50	20	DDGD	
C[C@@]1(CNC(=O)COCc2ccccn2)C[C@H]1Br	857389294	ZIWFKZRPUFPDSO-YPMHNXCESA-N	313.195	1.888	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CCc3nncn3C2)C[C@@H]1Br	857386971	BIXHPJAZBJAKTP-VDDIYKPWSA-N	313.199	1.130	50	20	DDGD	
CCOCc1ccc(CNC(=O)NNC(=O)c2cn[nH]c2)cc1	858133796	YJQGTPOKUQIQCP-UHFFFAOYSA-N	317.349	1.090	50	20	DDGD	
NC(=O)NCCCCC(=O)OC[C@@H](CBr)C1CC1	859663531	PNXOUEPYABRACZ-SNVBAGLBSA-N	321.215	1.789	50	20	DDGD	
COC1(C(=O)NNC(=O)COc2ccc(C)cc2)CCCC1	754160617	AXJFPFDSROFRPD-UHFFFAOYSA-N	306.362	1.480	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)/C=C\[C@H]2CCOC2)c1C	855624959	XOBLRJGKXHQADH-DGMVEKRQSA-N	304.346	1.817	50	20	DDGD	
CCC[C@@H](CNC(=O)NNC(=O)c1ccccc1F)OCC	858405524	HSSWLMOLLPJKSC-NSHDSACASA-N	311.357	1.975	50	20	DDGD	
N#CSCCCNC(=O)c1cccc(CN2CCOCC2)c1	854362625	UZPPOTIOJKOXBY-UHFFFAOYSA-N	319.430	1.853	50	20	DDGD	
C[C@@H](CCC1CCCCC1)NC(=O)NNC(=O)[C@H]1CCC(=O)N1	858225474	GJXFMGYZEDZKMJ-WCQYABFASA-N	324.425	1.344	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccccc1SC(F)F	755468158	VDRMPPWFRXPXGO-UHFFFAOYSA-N	305.306	1.800	50	20	DDGD	
CCc1nc(C(=O)NNc2nc(-c3ccncc3)no2)co1	753815150	CGJVTCILOWSYQD-UHFFFAOYSA-N	300.278	1.439	50	20	DDGD	
CC[C@@H](C)[C@H](NC(=O)NNC(=O)c1cn[nH]c1)C(F)(F)F	861021550	FJMZWOAOZAHVRO-SVRRBLITSA-N	307.276	1.331	50	20	DDGD	
Cc1oc2ncn(C)c(=O)c2c1C(=O)NN[C@H](C)C(F)(F)F	862304451	BLGZKGVDTYYPSO-ZCFIWIBFSA-N	318.255	1.020	50	20	DDGD	
Cc1c(Cl)cccc1NC(=O)C(=O)NNC(=O)C1CCCC1	764066613	PSRDMXNOMWENIR-UHFFFAOYSA-N	323.780	1.925	50	20	DDGD	
CCC(CC)[C@@H](C(=O)NNc1cccc(C)n1)N1CCOCC1	862522693	CXAVQPOZPOKSLT-INIZCTEOSA-N	320.437	1.970	50	20	DDGD	
COc1cc(C)sc1C(=O)NNC(=O)Cc1cc(C)[nH]n1	869012042	DJSBXVFRIWFQAD-UHFFFAOYSA-N	308.363	1.100	50	20	DDGD	
CCCNC(=O)NNC(=O)C[C@H]1CC(=O)Nc2ccccc21	930791440	NOERHDCLTPVTNK-SNVBAGLBSA-N	304.350	1.243	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2C[C@H]3CCC[C@H]2C3)n1	934378422	WHWSHDUOJCOTGR-RYUDHWBXSA-N	322.434	1.016	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)C(=O)N2CCCC2)[C@@H](C)C1	761260935	HXWOQSRVNQWFFB-RYUDHWBXSA-N	323.393	1.080	50	20	DDGD	
O=C(C[C@H]1C(=O)Nc2c(F)cccc21)NNC(=O)C1CCC1	932516687	MDRUSJNAFSIIML-SNVBAGLBSA-N	305.309	1.199	50	20	DDGD	
CCCCOC(=O)/C(C#N)=C\c1cn(C[C@@H]2CCCO2)nn1	865215874	ZTVLSOULWJZPPE-UNJUUPHPSA-N	304.350	1.707	50	20	DDGD	
Cn1c(NNC(=O)[C@@H]2CCSC2)nc2ccccc2c1=O	762216302	UCRZVCNXIQEYEO-SECBINFHSA-N	304.375	1.130	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCC1CN(C(=O)OC(C)(C)C)C1	763179006	NLPZLMRXBZMCAE-BENRWUELSA-N	309.366	1.413	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccc(C(N)=O)cc1C	764619381	CRYQFCVZMPIDIA-UHFFFAOYSA-N	316.321	1.041	50	20	DDGD	
O=C(NNC(=O)C1(c2ccc(F)cc2)CCCC1)c1cn[nH]c1	862473404	PNIJHIMWDCHZGM-UHFFFAOYSA-N	316.336	1.822	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1[N+](=O)[O-])c1cscn1	767896990	OOWZXLUNZSXJGP-UHFFFAOYSA-N	320.330	1.971	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CSc2ccccc2O)no1	765249623	WJRRRAIHMLBPGT-UHFFFAOYSA-N	321.358	1.171	50	20	DDGD	
O=C(NNc1cccc(F)c1Cl)C1(C(=O)NC2CC2)CC1	862509630	NIFWTCFRSBVLCG-UHFFFAOYSA-N	311.744	1.981	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](C)CCc1ccc(F)cc1	865568692	YJZLRKQGZGUBRE-JTQLQIEISA-N	318.352	1.887	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1cc(Cl)ccc1Cl	763816090	DPGQLVMJWVEWPV-UHFFFAOYSA-N	318.160	1.735	50	20	DDGD	
C[C@@H]1CN(Cc2ccccn2)CCC1=NNC(=O)c1cn[nH]c1	863154841	NTIUESQIALRZFW-GFCCVEGCSA-N	312.377	1.433	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)C1(F)CCOCC1	864491928	HQZDETLIQNUPOO-UHFFFAOYSA-N	319.336	1.377	50	20	DDGD	
CCNC(=O)N(C)N=Cc1c(C)nn(CC(=O)OC(C)C)c1C	769592469	PQRCCXGDHLBACX-UHFFFAOYSA-N	323.397	1.447	50	20	DDGD	
Cn1ccc(NNC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)n1	1117985047	FDWDVNOHEYXQMD-NSHDSACASA-N	305.382	1.044	50	20	DDGD	
CCOc1cc(C(=O)NNc2nccnc2C2CCC2)[nH]n1	1118762368	GKEDBHBUKJJNNB-UHFFFAOYSA-N	302.338	1.623	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	776250318	UHBRBQQLFJUHHS-NSHDSACASA-N	308.382	1.181	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@H](C)N2CCCC[C@H]2C)cc[nH]1	875072341	VGMJASUZLIWQHB-KGLIPLIRSA-N	305.426	1.701	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNC(=S)Nc1ccccc1OC	873768915	GNLGRSGUHFGERH-CQSZACIVSA-N	309.391	1.340	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc3cc[nH]c3n2)cc1	1116501356	AGZCSHJIXFCSSH-UHFFFAOYSA-N	310.313	1.646	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C2CCOCC2)cc1F	878276657	IGIMALLQAFUILZ-UHFFFAOYSA-N	311.313	1.414	50	20	DDGD	
O=C(C[C@H]1CCS(=O)(=O)C1)NNc1nccnc1C1CCC1	1117518489	VNEPROQRDUNJJU-SNVBAGLBSA-N	324.406	1.012	50	20	DDGD	
O=C(NCC(F)(F)F)NN=Cc1ccc(O)c(C(=O)O)c1	777432651	GTMCOFPGHOGZLL-UHFFFAOYSA-N	305.212	1.286	50	20	DDGD	
COC(=O)[C@@H](C)n1cccc1C=NNC(=O)c1cccnc1	774575457	MTYXYUNRTJCRSL-LLVKDONJSA-N	300.318	1.381	50	20	DDGD	
Cc1oc2ncn(C)c(=O)c2c1C(=O)NCCCSC#N	774296329	FNGMGAUTVRMEIE-UHFFFAOYSA-N	306.347	1.169	50	20	DDGD	
Cc1nn(C)c(C)c1OCC(=O)NNc1nccnc1C(C)C	772844794	NOFQWRDOJAOLOY-UHFFFAOYSA-N	318.381	1.472	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)C[C@H]1CCCO1	873768180	XKVOAERUVGXULQ-SNVBAGLBSA-N	309.391	1.582	50	20	DDGD	
C[S@](=O)c1cccc(C(=O)NN=c2cc[nH]cc2Cl)c1	771478346	NBDBUAKKKBKJMS-FQEVSTJZSA-N	309.778	1.651	50	20	DDGD	
CCn1c(NNC(=O)[C@H](OC)C(C)C)nc2ccccc2c1=O	771123052	JHAYTMZTVGNYND-CYBMUJFWSA-N	318.377	1.531	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cccnc1OCC(F)F	879067856	NEVDACITUXLRON-UHFFFAOYSA-N	304.253	1.460	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H](C(=O)NCCCSC#N)C2	773584281	DFGDATKUBIDIMQ-LBPRGKRZSA-N	306.387	1.967	50	20	DDGD	
COC(=O)[C@H](CNS(=O)(=O)CCCCl)c1ccccc1	881942093	UHDCXRBIHUXNIA-GFCCVEGCSA-N	319.810	1.492	50	20	DDGD	
COC[C@H]1COCCN1C(=O)/C(C#N)=C/c1ccc(O)cc1	886864801	SYZOYHUQUXYODH-CZAWJFPGSA-N	302.330	1.173	50	20	DDGD	
C=C(C)CCC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1	1120578274	AYJZIFQUVAJKKC-UHFFFAOYSA-N	310.375	1.207	50	20	DDGD	
COc1cccc(NNC(=O)c2cnn(C)c2C(F)(F)F)n1	780771812	BKFCSJACGNHHOD-UHFFFAOYSA-N	315.255	1.599	50	20	DDGD	
C[C@H](C(=O)NNc1ccccc1[N+](=O)[O-])[C@@H](C)S(C)(=O)=O	788302267	XZGNOOSQKZSSHA-DTWKUNHWSA-N	315.351	1.107	50	20	DDGD	
CCS[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1cccnn1	883499394	NGEUUTQFFIUDLR-CMPLNLGQSA-N	323.422	1.485	50	20	DDGD	
O=C1CCc2cc(F)c(NC(=O)NNC(=O)C3CCC3)cc2N1	782553260	NILVHWYGCHIZQF-UHFFFAOYSA-N	320.324	1.663	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc(Cl)c(F)c1	883067679	QFIJLQYIHAPJNO-UHFFFAOYSA-N	300.717	1.667	50	20	DDGD	
COc1ccccc1[C@@H](CO)NS(=O)(=O)CCCCl	881922188	DZIIYSUFYBFNJR-LLVKDONJSA-N	307.799	1.277	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2)CC(C)(C)C1	784347817	GFFDWZWZGAGZCE-ZDUSSCGKSA-N	303.406	1.816	50	20	DDGD	
COCCONC(=O)NNC(=O)c1c(Cl)cccc1Cl	789337564	KZNXANZSKXSPEL-UHFFFAOYSA-N	322.148	1.515	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)cc1)c1nccnc1C	783513689	FMKTWETXWRTRSV-UHFFFAOYSA-N	311.345	1.572	50	20	DDGD	
Cc1cccc([C@H](CC(=O)NN=c2cc[nH]cc2)NC(N)=O)c1	780756079	BDPFJYOKHOYHAL-AWEZNQCLSA-N	313.361	1.055	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1ccccc1SC	780383528	JRFJHJIRNDXMFV-UHFFFAOYSA-N	303.409	1.311	50	20	DDGD	
CCOc1ncccc1CNC(=O)NNc1ncncc1Cl	780961473	OHZPHSXTXIMNAC-UHFFFAOYSA-N	322.756	1.750	50	20	DDGD	
COC(=O)CN(C1CCCC1)S(=O)(=O)CBr	782471928	IQTBZKSEGPGTBE-UHFFFAOYSA-N	314.201	1.086	50	20	DDGD	
CC(C)(C#N)CNC(=O)NNC(=O)c1ccc2ccccc2n1	781953919	PFOANBHMQSNLIP-UHFFFAOYSA-N	311.345	1.729	50	20	DDGD	
Cc1cc(F)ccc1NC(=O)C(=O)NNc1ncncc1Cl	782165375	FJCMBGFPJSKIBG-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
Cc1nnsc1C(=O)NNC(=O)c1ccc(Cl)cc1O	787995925	KLJGYZIVOORFGI-UHFFFAOYSA-N	312.738	1.280	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)Cc1cncs1	783675804	DWTQZZPROSYPRM-UHFFFAOYSA-N	311.388	1.232	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1cc(O)cc([N+](=O)[O-])c1	780531309	ZEIMHOUDMSGJNN-UHFFFAOYSA-N	309.669	1.501	50	20	DDGD	
NC(=O)[C@H]1CCC[C@@H](C(=O)NNc2cc(F)c(F)c(F)c2)C1	787133613	HTIQHPVQSNNYDQ-JGVFFNPUSA-N	315.295	1.839	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@@H]2CCC(=O)c3cccn32)n1	790022302	ZOXNMIKSZFCLEU-QMMMGPOBSA-N	320.740	1.175	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCC1(C#N)CC1)c1ccccc1	797580938	JTEPMDJHWJVQMX-UHFFFAOYSA-N	300.362	1.598	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NC/C=C\Cl	899057126	KBSKYHHQSKQGSN-YVMONPNESA-N	311.769	1.711	50	20	DDGD	
CNC(=O)CC[C@H]1CCCCN1S(=O)(=O)CCCCCl	796192568	BKCKUWFYZNGONN-GFCCVEGCSA-N	324.874	1.716	50	20	DDGD	
CCc1ccccc1OCCC(=O)NNC(=O)c1ccncc1	794716793	VJLBNLWZZOIRJV-UHFFFAOYSA-N	313.357	1.874	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)Cc2ncccc2F)c1	792291813	PQVIVFPLHMVBNZ-UHFFFAOYSA-N	305.700	1.827	50	20	DDGD	
CCNc1ccc(Cl)cc1C(=O)NNc1nccn(C)c1=O	792365703	PHKPOCMXCHEFRG-UHFFFAOYSA-N	321.768	1.622	50	20	DDGD	
O=C(NN=C1CC(=O)N2CCCC[C@H]12)c1ccc(O)c(Cl)c1	799479938	BPNDAILHQFAPNS-GFCCVEGCSA-N	321.764	1.916	50	20	DDGD	
Cc1cnc(COCC(=O)NNC(=O)c2ccccc2C)o1	794797902	YNSLUPSLSSZGHZ-UHFFFAOYSA-N	303.318	1.269	50	20	DDGD	
CCc1cc(CNC(=O)NNC(=O)c2ccc(OC)cc2)on1	1319052785	DRXYVYMSCBPXGI-UHFFFAOYSA-N	318.333	1.390	50	20	DDGD	
C[C@H](C(=O)NN=c1sc2ccccc2n1C)n1ccnc1	1318007857	OJQDUXUEISIVGO-SNVBAGLBSA-N	301.375	1.629	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H](C)c2ccc(F)cc2F)nc1O	1318764312	IAJQSHXJXHJMFW-LURJTMIESA-N	309.276	1.411	50	20	DDGD	
O=C(Nc1ccccc1F)[C@H]1CSCN1C(=O)CCl	1324707212	UXXCIIZOFQVASU-SNVBAGLBSA-N	302.758	1.905	50	20	DDGD	
CO[C@H](CNC(=O)NNc1ccc(C(C)(C)C)nn1)C1CC1	1325361945	AVWLSTMGBSNYFN-LLVKDONJSA-N	307.398	1.825	50	20	DDGD	
CC(C)(C)NCC(=O)NNc1ncc(Br)cn1	1329925279	PJUFFCDMTXVQDL-UHFFFAOYSA-N	302.176	1.070	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2occ(C)c2C)c1	1326637714	ZHFPDSLPBHDXOD-UHFFFAOYSA-N	318.329	1.988	50	20	DDGD	
Cc1cn(CC(=O)NNC(=O)[C@H]2CCCCO2)c2ccccc12	1328467241	BJCJXAYUVRERCR-OAHLLOKOSA-N	315.373	1.666	50	20	DDGD	
CN(C)C[C@@](C)(C=NNC(=O)c1cccnn1)c1ccccc1	1336994403	FICRODKLSWVRNN-QGZVFWFLSA-N	311.389	1.712	50	20	DDGD	
C[C@H](CC(=O)OC(C)(C)C)NC(=O)NNc1ncccc1F	1258234626	CXWPBHMERBQCPF-SECBINFHSA-N	312.345	1.967	50	20	DDGD	
CC(C)c1nnc(C(=O)NNC(=S)Nc2ccccn2)s1	1332400233	AAKOJBRWCYASIV-UHFFFAOYSA-N	322.419	1.688	50	20	DDGD	
CCOc1ccccc1[C@@H](CC)NC(=O)NNC(=O)C(=O)OC	1330487927	FVQZEQIGPGKVMZ-LLVKDONJSA-N	323.349	1.040	50	20	DDGD	
CC(C)CC(=O)N1CCCC[C@H]1C(=O)NN[C@@H](C)C(F)(F)F	1347852577	TZAUEZBTZWCELI-QWRGUYRKSA-N	323.359	1.985	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H]2[C@@H](C)C2(F)F)nc1C	1347116118	PFOVLWRVVAUTPN-MUWHJKNJSA-N	314.292	1.306	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C1CCOCC1)c1ccc(F)cc1	1346668486	NFVPXTCGDOFDKH-SNVBAGLBSA-N	309.341	1.644	50	20	DDGD	
COCCn1ccc(C(=O)OC[C@]2(C)C[C@H]2Br)n1	1348961505	NIWRTDRKFSUCJF-PWSUYJOCSA-N	317.183	1.860	50	20	DDGD	
O=C(NCCSSCCNC(=O)[C@H]1C[C@H]1F)[C@@H]1C[C@@H]1F	1350100798	OQHUREVJQBZBHO-FIRGSJFUSA-N	324.418	1.316	50	20	DDGD	
O=C(NCCOC1CCSCC1)NNc1cccc(F)n1	1358212191	BHAWANMMBJYRNK-UHFFFAOYSA-N	314.386	1.759	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1ccoc1CC(=O)O	1607877748	DSNDBKKLRMQOTA-UHFFFAOYSA-N	316.313	1.219	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2ccc(F)c(C(=O)O)c2)CCN1	1604678031	ZDTJJRQVGZWQLP-IUCAKERBSA-N	310.329	1.291	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)c1cnc2c[nH]nc2c1	1601560672	SNIVJKVMLQHDGJ-UHFFFAOYSA-N	315.264	1.552	50	20	DDGD	
O=C(CCCc1cccs1)NNC(=O)c1ccc(C(=O)O)[nH]1	1608305849	NBSYREYYUARACZ-UHFFFAOYSA-N	321.358	1.558	50	20	DDGD	
O=C(NCCn1ccnc1)NNc1cccc(C(=O)O)c1F	1601517689	HILULNAUDAJBEW-UHFFFAOYSA-N	307.285	1.047	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)c(F)c1)c1ccc(CO)cc1	1601556670	LTAPQDIQLCFQJE-UHFFFAOYSA-N	304.277	1.773	50	20	DDGD	
Cc1cccc(-c2n[nH]cc2C=NNC(=O)NCC(=O)O)c1	1600506338	ULPXGXUIXGXJOD-UHFFFAOYSA-N	301.306	1.103	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1	1602127206	JOEXSBUGTRABDC-CYZMBNFOSA-N	302.330	1.372	50	20	DDGD	
N#Cc1ccc(NCC(=O)NNc2ccc(CC(=O)O)cc2)cc1	1608208749	NPCWYBXQTINISA-UHFFFAOYSA-N	324.340	1.741	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@]2(C)CCCO2)ccc1C(=O)O	1605202420	UQMCRFVLJNNYGE-HNNXBMFYSA-N	321.333	1.415	50	20	DDGD	
Cc1cc(C(=O)NNc2cnnc3ccccc23)oc1C(=O)O	1600096527	QNYKIBCDJATITH-UHFFFAOYSA-N	312.285	1.986	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H](C)OC[C@@H]2CCCO2)cc1C(=O)O	1610509923	SXCATSFJYJRJDD-AAEUAGOBSA-N	322.361	1.720	50	20	DDGD	
O=C(NNC(=O)[C@@H]1Cc2ccc(O)cc2N1)OCC(F)(F)F	1580736510	VRAKJKVAIFYKBS-VIFPVBQESA-N	319.239	1.049	50	20	DDGD	
CN(C)CC(=O)N1CC2(CCCN2C(=O)C(C)(C)CCl)C1	1841225749	GEYPYDVYXJLKJP-UHFFFAOYSA-N	315.845	1.016	50	20	DDGD	
O=C([C@H](F)Cl)N1CC[C@H]2[C@@H]1CCN2C(=O)C12CC(F)(C1)C2	1847851301	PGNJETRYRIZANT-ATFFOQFKSA-N	318.751	1.615	50	20	DDGD	
O=C([C@H](F)Cl)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@@H]1C1CC1	1847487887	MMEYWHZLLWALPP-BNDIWNMDSA-N	314.788	1.769	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1cccc(C(=O)O)c1F)C(C)C	1599049275	HSBRRGRPHPGSQQ-NSHDSACASA-N	313.329	1.821	50	20	DDGD	
C[C@H](CO)CCCNC(=O)NNc1cccc(C(=O)O)c1F	1592756774	DFDPFHFAQCBIDG-VIFPVBQESA-N	313.329	1.559	50	20	DDGD	
C[C@@]1(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)O)C2)C[C@H]1Br	1593758833	UXBJIDUPBHVKSM-DGMBBCJWSA-N	302.168	1.529	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1ccc(C(=O)O)c(OC)c1	1596862124	GIUJPYZUZCGAOD-LUAWRHEFSA-N	304.302	1.454	50	20	DDGD	
O=C(/C=C\c1cccs1)NNc1ccc(-c2nn[nH]n2)cn1	1592802161	OZSHVGSDZLFAMF-XQRVVYSFSA-N	313.346	1.480	50	20	DDGD	
C[C@@]1(CNC(=O)c2cc(C(=O)O)ccn2)C[C@H]1Br	1594026869	JCXXIYNVULTXBZ-SKDRFNHKSA-N	313.151	1.683	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](CC(=O)O)c1ccc(F)cc1	1596863723	RZYGOAOJEFYPEZ-YGNAEDSMSA-N	306.293	1.902	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(-c3nn[nH]n3)o2)cc1	1591617668	SNSKXQKFHWCKRD-UHFFFAOYSA-N	300.278	1.225	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNc2ccc(C(=O)O)cn2)c1C	1597933957	HUVYNVPWDNBEPF-UHFFFAOYSA-N	317.349	1.299	50	20	DDGD	
COc1ncc(/C=C/C(=O)NNc2cccc(C(=O)O)c2)cn1	1599736450	VBKFOQQYOBAYTF-AATRIKPKSA-N	314.301	1.340	50	20	DDGD	
CCOc1cnc(C(=O)NNc2ccc(CC(=O)O)cc2)cn1	1597186687	ZELGPLVGYRHFIH-UHFFFAOYSA-N	316.317	1.259	50	20	DDGD	
CC[C@@H](C)C(=O)NN=Cc1c[nH]c2cccc(-c3nn[nH]n3)c12	1590394082	VZPWCWYOLHGWCG-SECBINFHSA-N	311.349	1.844	50	20	DDGD	
CCCc1cc(C(=O)NNc2ccc(C(=O)O)c(F)c2)n[nH]1	1596054861	CTZZYCYCISSWFQ-UHFFFAOYSA-N	306.297	1.956	50	20	DDGD	
CC(C)N(CCS(C)(=O)=O)C[C@@H](C)CBr	134054360	LAJBIYRBTBPXMI-JTQLQIEISA-N	300.262	1.772	50	20	DDGD	
CN(N=Cc1cc(C(=O)O)nn1C)C(=O)OCc1ccccc1	1776108440	QSFPCPGNPLORTF-UHFFFAOYSA-N	316.317	1.721	50	20	DDGD	
COc1cc(C)c(C=NNC(=O)c2cccc(C(=O)O)c2)cn1	1776096304	UJIKZNNFOHCYPS-UHFFFAOYSA-N	313.313	1.861	50	20	DDGD	
O=C(Cc1cccnc1)NN=C1CCCc2ncc(C(=O)O)cc21	1776043172	RZPAHNCELMTPII-UHFFFAOYSA-N	324.340	1.574	50	20	DDGD	
Cn1cc([N+](=O)[O-])cc1C(=O)NNC(=O)CCc1ccccc1	16305836	ITIXTOFJFGXWQO-UHFFFAOYSA-N	316.317	1.327	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(Cc2cc(C)no2)CC1	158715344	MURHOYGJNSCFPN-QBFSEMIESA-N	304.350	1.071	50	20	DDGD	
COCC(=O)N[C@H](C(=O)NNc1cc(C)ccc1C)C(C)C	158981198	BFFBCQKFIZAPGS-HNNXBMFYSA-N	307.394	1.534	50	20	DDGD	
CCC[C@H]1CN(C(=O)NNC(=O)c2ccc(C)s2)CCO1	160576989	DWRXASBCOXZBPA-NSHDSACASA-N	311.407	1.912	50	20	DDGD	
CCC(C)(C)N[C@H](C)C(=O)NNc1ccc(C(=O)OC)cn1	274744978	DNRIIKDAGARJOP-SNVBAGLBSA-N	308.382	1.478	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	155059895	ZYALMCXUMBLELL-FZMZJTMJSA-N	306.362	1.343	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)/C=C(/C)c1ccccc1	156124376	MWNNOGLGRWSDNS-QXMHVHEDSA-N	317.389	1.542	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccc2ccccc12)S(C)(=O)=O	157648447	KSYIRZDGMNBSIF-SNVBAGLBSA-N	320.370	1.034	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C[C@@H](C)c2c(C)noc2C)[nH]n1	155950128	MPFLATQYKIFVAY-SSDOTTSWSA-N	305.338	1.278	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(-n3cnnc3)cc2)nc1	159469163	UDYQFASKVREEKY-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
O=C(COc1ccccc1Br)NNc1cnccn1	159129494	ATAZLHSLAWICPL-UHFFFAOYSA-N	323.150	1.761	50	20	DDGD	
COc1ccc(NNC(=O)COCCc2ccccc2)nc1	159315524	VWYXXKGJOOOWDY-UHFFFAOYSA-N	301.346	1.793	50	20	DDGD	
O=C(CCl)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	2599513	ACYMOEKONBPVNI-UHFFFAOYSA-N	311.725	1.118	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1cncc(O)c1	109935630	AIWQJZPYSTZEKU-UHFFFAOYSA-N	305.721	1.444	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cncc(O)c1	109935741	WNFOANVTXARTCD-UHFFFAOYSA-N	310.313	1.272	50	20	DDGD	
CS(=O)(=O)CCC(=O)NNc1ccc(Cl)cc1Cl	119902526	CTQFHLLVWGYUBV-UHFFFAOYSA-N	311.190	1.871	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NNC(=O)c1cccnc1	118757594	UMQDQVKNLONMBB-UHFFFAOYSA-N	321.768	1.209	50	20	DDGD	
C[C@H]1CCC[C@H]1NC(=O)NNC(=O)c1cccc(N(C)C)c1	104814416	KQSGWFAIGJXXPX-SMDDNHRTSA-N	304.394	1.885	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](C)Oc2ccccc2)n1	174496942	SJLIEUYPAWGTDU-NSHDSACASA-N	302.334	1.704	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccc2c(c1)CCCC2	103424486	AGZQUWSGLIWSKW-UHFFFAOYSA-N	309.369	1.964	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(C(C)=O)cc2)n1	174483916	ODULVQXZKXPMEI-UHFFFAOYSA-N	300.318	1.753	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Cc1c[nH]c2cccc(C)c12	110759234	PZEBCHYPXYQVIX-UHFFFAOYSA-N	311.345	1.512	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)OCC(=O)NCC(C)C)c1	21692109	ILOBLZZUJDYHFM-VGOFMYFVSA-N	316.357	1.918	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCN(C(C)C)C(C)C)n1	175162400	QIMAYLNVFLAADK-UHFFFAOYSA-N	324.429	1.539	50	20	DDGD	
COc1cccc([C@H]2CCCN2CC(=O)NNC(=O)C2CC2)c1	112976293	OZIDUNKYUULGEM-OAHLLOKOSA-N	317.389	1.390	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(F)ccc2OC)n1	174499900	YWNKEIFQSPPAPS-UHFFFAOYSA-N	306.297	1.698	50	20	DDGD	
COc1ccc(CCC(=O)NNc2cc(C)ncn2)cc1OC	172279187	QTCBXKCITKTYPF-UHFFFAOYSA-N	316.361	1.878	50	20	DDGD	
C[C@H](C(=O)NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1)C1CC1	175327213	UBCCFRSJDVSJSU-QMMMGPOBSA-N	318.381	1.364	50	20	DDGD	
CCOC(=O)CCNS(=O)(=O)c1ccc(CCl)cc1	302523632	PQNIZSJQIOWGMQ-UHFFFAOYSA-N	305.783	1.657	50	20	DDGD	
Cc1nn(CC(=O)NNc2ccc(Cl)nn2)c(C)c1Cl	118503392	ZKRRSOJWURWADH-UHFFFAOYSA-N	315.164	1.740	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)OCCCNC(C)=O)cc1	63903767	BOJZVQMPRPQZKI-UVTDQMKNSA-N	302.330	1.672	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(C#N)cc2)cc1	129176825	XGGASRWBXZSKSE-UHFFFAOYSA-N	322.324	1.591	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1ccc(-n2cccn2)nc1	181709655	TXAQINAKZIESFA-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1Cl	78439205	HHZQYNSVTXKJDR-UHFFFAOYSA-N	322.708	1.662	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccsc1Cl	187557095	BWOOOQKIJKPLOF-LURJTMIESA-N	303.771	1.534	50	20	DDGD	
COCc1cccc(C(=O)NNC(=O)CNc2ccccc2)c1	73302347	GQSGOEYJCQEKLR-UHFFFAOYSA-N	313.357	1.706	50	20	DDGD	
CC[C@@H](Cc1ccccc1)N(CC)CC(=O)NNC(=O)C1CC1	120451591	VTEVTGIMCYQRII-INIZCTEOSA-N	317.433	1.887	50	20	DDGD	
Cc1cc2cc(C(=O)NNC(=O)N3CCOCC3)oc2cc1C	79806011	BIOQZWYUIRRYKW-UHFFFAOYSA-N	317.345	1.736	50	20	DDGD	
C[C@](O)(CNC(=O)/C(C#N)=C\c1ccc(O)cc1)c1ccco1	185770897	JHPFPHFPEOSTIH-GQPJMJRUSA-N	312.325	1.916	50	20	DDGD	
COC[C@@H](C)n1ccc(NC(=O)NNC(=O)c2ccc(C)o2)n1	189809473	HZVBISMSSKVGQS-SECBINFHSA-N	321.337	1.458	50	20	DDGD	
COc1cccc([C@H](C)CC(=O)NNC(=O)Cc2cc[nH]n2)c1	186156346	DHCWWDHNUKYGIN-LLVKDONJSA-N	316.361	1.302	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1	181973363	RPKLVVBGROOJKR-NSHDSACASA-N	306.366	1.252	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(Br)o1	49167585	YSQWABANJDILIU-UHFFFAOYSA-N	320.143	1.023	50	20	DDGD	
CC(=O)NCC(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	192725771	XSUHXWTVQXOXNV-UHFFFAOYSA-N	320.227	1.193	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H]1CSc2ccccc21	131978487	FZEDCANNSDINLX-JTQLQIEISA-N	302.359	1.818	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NCc2ccc(C)s2)n1	45679172	LCDNHJMGFXFEFY-UHFFFAOYSA-N	321.406	1.400	50	20	DDGD	
Cc1ccc(C(N)=O)cc1NS(=O)(=O)CCCCCl	190758497	PQLOXTIFMSZQKM-UHFFFAOYSA-N	304.799	1.855	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(-n3ccnc3)nc2)o1	84373976	STIIVXKKMLPYSR-UHFFFAOYSA-N	311.301	1.244	50	20	DDGD	
N[C@H]1CCC[C@@H](C(=O)NNc2nc(-c3ccccc3)no2)C1	238019057	GNTSQDMHAMXAFC-NEPJUHHUSA-N	301.350	1.697	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)C1=Cc2cc(F)ccc2OC1	90067997	XUWOKHBGCLAVLZ-UHFFFAOYSA-N	313.288	1.458	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C(=O)N1CCCC1	245732051	RZISVXJDTRRJLU-MGPQQGTHSA-N	321.421	1.363	50	20	DDGD	
CCOCCNC(=O)/C(C#N)=C\c1cc(C)n(CCOC)c1C	255558255	RNIJNRHMFXPHDD-WJDWOHSUSA-N	319.405	1.811	50	20	DDGD	
CC1(C(=O)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)CCC1	269310220	NRHHDCUQPQTZCV-UHFFFAOYSA-N	318.381	1.920	50	20	DDGD	
CC(C)(C)c1nc(CC(=O)NNC(=O)c2cccnc2)cs1	263772689	MGRMHAHVJUHAAH-UHFFFAOYSA-N	318.402	1.839	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)COc1ccccc1F	266252725	SUGSHELRZNJSQR-UHFFFAOYSA-N	310.325	1.335	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NC[C@H](C)SC	269837599	ZPJMVQUAVJFUKA-JTQLQIEISA-N	311.407	1.320	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N[C@@H]1C[C@H]1Cc1ccccc1	266783184	RPJPFRNUAZQORL-HZPDHXFCSA-N	324.384	1.586	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC[C@@H](CNC(=O)C(C)C)C1	269446728	BBSVHOZEJGZXBT-UQRISPGASA-N	307.394	1.441	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C[C@H]1CCc2ccccc2C1	264950106	VFYINLUTGHAKOI-ZDUSSCGKSA-N	311.385	1.981	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)[C@@H]1CCCCO1	271999087	NOUCKNGXUGUNNK-RISCZKNCSA-N	323.368	1.656	50	20	DDGD	
Nc1cccc([N+](=O)[O-])c1C(=O)NNc1nnc(C2CC2)s1	273655544	ZNEMOZVNOFMXQX-UHFFFAOYSA-N	320.334	1.663	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H]1CCCc2c(O)cccc21	276444057	KVJACQVNODMUNX-CYBMUJFWSA-N	321.377	1.179	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N1CCN(C)CC1)c1ccc(F)cc1	278684647	QSXDNDRHVCSQHL-AWEZNQCLSA-N	322.384	1.308	50	20	DDGD	
COC(=O)NNC(=O)CCC(=O)CCC(=O)c1cccs1	274168308	ANVZKOXOYNOJFS-UHFFFAOYSA-N	312.347	1.448	50	20	DDGD	
CC(=O)NC1CCC(NC(=O)NNc2ncccc2C)CC1	276689873	KGACINWDVXXHBD-UHFFFAOYSA-N	305.382	1.463	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCCCCNC(C)=O)nc1	270373710	MRFPOCHGQDQPGX-UHFFFAOYSA-N	322.365	1.008	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ccccc2[N+](=O)[O-])CCC1	279768357	ZSVXQAXDLFRULF-UHFFFAOYSA-N	313.335	1.005	50	20	DDGD	
O=C(NC[C@H]1COC2(CCCCC2)O1)NNc1ncccn1	271952369	XYWNSACBJUXIAZ-NSHDSACASA-N	307.354	1.179	50	20	DDGD	
O=C(NNc1ncccn1)N[C@H]1CC(=O)N(C2CCCCC2)C1	271409115	RMGISKNOPHZAAR-NSHDSACASA-N	318.381	1.036	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2	272329893	VLPXCEMXEZXWRV-UHFFFAOYSA-N	309.278	1.131	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2Cc3ccccc3O2)nc1	372270040	JZBPGIDFVJCLHP-ZDUSSCGKSA-N	313.313	1.315	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Nc1ccc(F)cc1	284202001	YUXLKCYINLJZPK-UHFFFAOYSA-N	313.329	1.768	50	20	DDGD	
COCCN(C)NC(=O)c1nn(-c2c(F)cccc2F)cc1C	293738233	WZDMZDIIRKGSQF-UHFFFAOYSA-N	324.331	1.682	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H](C)Cn2ccnc2)cc1	297224281	XVMKUZDDMLOAEG-LBPRGKRZSA-N	303.366	1.997	50	20	DDGD	
CN(C)[C@H]1CCC[C@@H](NC(=O)NNc2ncc(F)cc2F)C1	297773205	CYZPYKAHPZZHPV-MNOVXSKESA-N	313.352	1.859	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=S)NCCSC)o1	293789776	AESCWPFUBWHXIK-UHFFFAOYSA-N	316.452	1.407	50	20	DDGD	
CS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccccc2)o1	801988245	RMWWJXNIJCUOOL-UHFFFAOYSA-N	323.330	1.150	50	20	DDGD	
Cc1ncc(COC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)cn1	803269779	QKUGUVXCFVJVHP-SYZQJQIISA-N	321.340	1.954	50	20	DDGD	
COCc1nc(CNC(=O)NNc2nc(C)cc(C)n2)cs1	291349062	XSWGKNKMAPFGSV-UHFFFAOYSA-N	322.394	1.523	50	20	DDGD	
Cn1cncc1CCC(=O)NNc1ccc(-c2ccccc2)nn1	802750650	CLVCXZPDZJPGDW-UHFFFAOYSA-N	322.372	1.953	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2n[nH]c(C)c2O)c(Cl)c1	802051175	STKDNENJGVPDIA-UHFFFAOYSA-N	323.740	1.852	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=O)CCc2ccccc2O)o1	295274348	OSQIYUATCQMPMC-UHFFFAOYSA-N	317.345	1.645	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Nc1ccc2c(c1)OCO2)n1cccn1	802100129	UZKVDFMJWAIABV-VIFPVBQESA-N	317.305	1.026	50	20	DDGD	
Cc1c(C(=O)NN(C)C2CC2)nnn1-c1ccc2ncccc2c1	819647442	OXJXDUKDGOQJGG-UHFFFAOYSA-N	322.372	1.863	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2cccc(Cl)n2)CCCC1	817009077	STHNZYDODXVZME-UHFFFAOYSA-N	317.798	1.536	50	20	DDGD	
C[C@@H](CC(=O)NNc1ncncc1F)C(=O)c1ccccc1	817082088	JPTPSCIFMRLWQH-JTQLQIEISA-N	302.309	1.968	50	20	DDGD	
COc1cccc(O)c1C=NNC(=O)Cc1nc(C)cs1	812490683	ISXKEVBDEMGSEW-UHFFFAOYSA-N	305.359	1.859	50	20	DDGD	
CC1(C)CC(=NNC(=O)CN2CCCC2=O)c2sccc2O1	814761521	ZGRXLFRYDASBHR-UHFFFAOYSA-N	321.402	1.752	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2ccnc(O)c2)ccc1C	816689103	SRZXRTSPJQNQNI-UHFFFAOYSA-N	301.302	1.639	50	20	DDGD	
Cc1nc(CC(=O)NN=C2CCN(CC(C)(C)O)CC2)cs1	814214976	KAZALHQKPFNKKO-UHFFFAOYSA-N	324.450	1.333	50	20	DDGD	
C[C@@H](C=NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CCCCC1	814782410	USUVQCYTSHEWME-WCQYABFASA-N	300.424	1.740	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1cnc([C@H]2CCCO2)s1	814957903	TYUJAUMUXGYYDC-LLVKDONJSA-N	305.363	1.411	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NNC(=O)CCCC2CC2)c1	812536874	QZHWJRBJCYYMKQ-UHFFFAOYSA-N	304.350	1.381	50	20	DDGD	
COc1cc2cc(C(=O)NN(C)C3CC3)[nH]c2c(OC)c1OC	819645258	DQEQFUSBFAOITP-UHFFFAOYSA-N	319.361	1.933	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)c2ccc(C)o2)cc(C)n1	817171379	VMECASCCDPQDRA-UHFFFAOYSA-N	302.334	1.744	50	20	DDGD	
CS(=O)(=O)c1ccc(NC(=O)NN=Cc2nccs2)cc1	814856686	QMNGUFQORCBXTM-UHFFFAOYSA-N	324.387	1.702	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)[C@@H](C)CN1CCC(C)CC1	811635406	WRGNLXULCUMMOG-ZFWWWQNUSA-N	322.453	1.515	50	20	DDGD	
O=C(O)c1cccc(C=NNC(=O)c2ccc(O)c(O)c2)c1	814921214	WEGRGSCZZSYFDT-UHFFFAOYSA-N	300.270	1.560	50	20	DDGD	
COC(=O)c1coc(C(C)=NNC(=O)N=c2cc[nH]cc2)c1	815002560	GYSKHIJRWORBDA-UHFFFAOYSA-N	302.290	1.429	50	20	DDGD	
Cc1ncc2n1CC[C@@H](C(=O)NNc1ncccc1[N+](=O)[O-])C2	810527849	LAIYGJHHHZPJLW-SNVBAGLBSA-N	316.321	1.200	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)CCc2cncs2)c1	814375132	CVUOHYXEAKVMOY-UHFFFAOYSA-N	318.402	1.603	50	20	DDGD	
CCn1cc(NC(=S)NNC(=O)Cc2ccc(F)cc2)cn1	726121479	FKLLAXAEAIVKKM-UHFFFAOYSA-N	321.381	1.602	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCO[C@@H](c2ccc(F)cc2)C1	827400329	GZDRGQSLDQUYNN-CQSZACIVSA-N	323.368	1.002	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@H]1CCCC1(F)F	826913363	RRJBWRZDTMPTGY-AEJSXWLSSA-N	305.325	1.177	50	20	DDGD	
CCOCc1nc(C)c(C(=O)NNC(=O)c2cccn2C)s1	822231446	RQUTUCXIJITUQH-UHFFFAOYSA-N	322.390	1.401	50	20	DDGD	
CCN(Cc1occc1C)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	827259568	KQKIKTILEQCNPL-VXGBXAGGSA-N	309.366	1.576	50	20	DDGD	
CN(NC(=O)Nc1cc(F)cc(N2CCOCC2)c1)C1CC1	824149567	TXAOEGORTYMWBK-UHFFFAOYSA-N	308.357	1.793	50	20	DDGD	
Cc1occc1C(=O)NCC(=O)NN(C)C(=O)OC(C)(C)C	496940393	GASWXDGNAILWKH-UHFFFAOYSA-N	311.338	1.216	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNc2ccnc(N(C)C)n2)c1C	825984858	ORXPZHPECFKKNH-UHFFFAOYSA-N	317.397	1.062	50	20	DDGD	
CN(NS(=O)(=O)CC[C@H]1CCOC1)C(=O)OC(C)(C)C	496409585	GHNYYDDFSIOIFU-SNVBAGLBSA-N	308.400	1.114	50	20	DDGD	
CC[C@@H](CC(C)C)C(=O)NNC(=O)CNC(=O)c1ccco1	825581612	MJNSIJXMSJWTNR-NSHDSACASA-N	309.366	1.229	50	20	DDGD	
CN(C)[C@@H]1CCC[C@H](NC(=O)/C(C#N)=C\c2cnn(C)c2)C1	491176631	QSMAMBHRWINQJL-VBUBNCOFSA-N	301.394	1.316	50	20	DDGD	
CO[C@@H]1CCC[C@@H](C(=O)NNc2nc(O)c3ccccc3n2)C1	826860843	OOZJMOYZBBAZPO-GHMZBOCLSA-N	316.361	1.984	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCc2cccc(F)c2C1	827276018	XYUQLJWZHQKRMU-CMPLNLGQSA-N	321.352	1.350	50	20	DDGD	
Cc1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1O	826281988	SHXIBASLJVBNPT-UHFFFAOYSA-N	310.317	1.638	50	20	DDGD	
COC[C@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)[C@@H]1CCCO1	491007814	GZMIYELYAXKOOG-KYDQQWHWSA-N	316.357	1.609	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCCNc2ccccn2)c1	729043698	XIIYAORFBNHNHQ-UHFFFAOYSA-N	324.344	1.009	50	20	DDGD	
CCN(CCO)NC(=O)Cc1coc2cc3c(cc12)CCC3	823834131	STQYRJIYPJORKP-UHFFFAOYSA-N	302.374	1.809	50	20	DDGD	
CC(C)(C)NC(=O)CCNC(=O)NNc1cncc(Cl)n1	728131881	XLLQOARMJPQULF-UHFFFAOYSA-N	314.777	1.061	50	20	DDGD	
C[C@@H]1Cc2cc(C(=O)NNC(=O)NC3CCCC3)ccc2O1	824343381	XCPIVTYVXFTOKQ-SNVBAGLBSA-N	303.362	1.897	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CC1CN(C(=O)OC(C)(C)C)C1	493096296	BGRKQWUKPUDDQR-UHFFFAOYSA-N	313.398	1.437	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1C[C@H]2c3ccccc3CC[C@H]12	585050048	POUGHHVZEKYWSJ-JENIJYKNSA-N	307.202	1.575	50	20	DDGD	
Cc1noc(C2CN(C(=O)[C@]3(C)C[C@H]3Br)C2)n1	907760775	WUNKJYJUCYSNNB-LDYMZIIASA-N	300.156	1.477	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCNC(=O)[C@H]1CC1CCCCC1	491012975	SNXHQUGFYXWFEK-IKESIWSLSA-N	319.405	1.728	50	20	DDGD	
CC(C)(C)CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	824080459	XSCCRAGWRUBFMH-UHFFFAOYSA-N	309.761	1.794	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1ccc(C(=O)O)cc1	821388892	XOBKEIDGEDRVAY-UHFFFAOYSA-N	313.313	1.258	50	20	DDGD	
COC(=O)c1ccc2c(c1)CN(C(=O)NNC(=O)C(C)(C)C)C2	731499376	RFNNMXDCVAJGME-UHFFFAOYSA-N	319.361	1.576	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)c1ccc2c(c1)OCCO2	491634152	QLVSJOUSUQQSBZ-UHFFFAOYSA-N	310.313	1.051	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNC(=O)Cc2cccnc2)cc1	491493031	PYUHRROYJRPUPL-TWGQIWQCSA-N	311.341	1.494	50	20	DDGD	
Cc1cc(C(=O)NCB(O)O)c(C)n1-c1cccc(Cl)c1	585062596	UVGCIOPFHYZGIE-UHFFFAOYSA-N	306.558	1.489	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccccc1)C(=O)OC(C)(C)C	734313093	YTQKQOHIOPHWJN-UHFFFAOYSA-N	321.377	1.705	50	20	DDGD	
O=C(NCC1(Cc2ccccc2)CC1)c1ccc(B(O)O)cc1	584964037	CJZDNJCMYPAOCT-UHFFFAOYSA-N	309.174	1.119	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2C[C@]23CCOC3)cc1F	837057816	JERJJFRWXZHHKV-NHYWBVRUSA-N	308.309	1.482	50	20	DDGD	
Cc1cccc2c1OC[C@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C2	491105126	PLBQCPMCKDAQGF-KNDGBBJPSA-N	322.368	1.755	50	20	DDGD	
CN1C(=O)CCC[C@H]1C(=O)NNC(=O)C(C)(C)c1ccccc1	906624049	BOLCBOSUBPJQEY-ZDUSSCGKSA-N	317.389	1.123	50	20	DDGD	
CCCCNC(=O)NNC(=O)/C=C/c1ccc(OC)c(O)c1	492741243	VOWGDYVFMOFYLJ-SOFGYWHQSA-N	307.350	1.545	50	20	DDGD	
Cc1cc(C(=O)NN(C)C(=O)OC(C)(C)C)n2nc(C)cc2n1	838366787	PHOOQZJCEAXWGN-UHFFFAOYSA-N	319.365	1.858	50	20	DDGD	
O=S(=O)(/C=C/c1ccccc1Cl)N1CC[C@@H](B(O)O)C1	585058276	WKROZRBLGKNJNR-LXSSAFMLSA-N	315.587	1.189	50	20	DDGD	
CCc1oc2ccccc2c1CC(=O)N1CC[C@H](B(O)O)C1	585067691	UFDGLOFPAKDIIV-NSHDSACASA-N	301.151	1.613	50	20	DDGD	
Cc1cc(C)c(C)c(S(=O)(=O)N2CC[C@H](B(O)O)C2)c1C	585060889	LKJCGHWUMWAEKC-ZDUSSCGKSA-N	311.212	1.158	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncc(F)cc1F)C(C)(C)CN(C)C	838510785	NMWIBBZVCQMQFL-SECBINFHSA-N	315.368	1.962	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCCCCCCN)c1	831249233	WZJIRAMBKKWFQV-UHFFFAOYSA-N	321.425	1.216	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)NCCc2cccs2)[nH]1	900385661	WZBJHMXQWKWHAS-UHFFFAOYSA-N	307.379	1.275	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21	906583218	VJGWZYCRTOSKSU-KNXALSJPSA-N	311.341	1.014	50	20	DDGD	
CC(C)N1CCC(NC(=O)NNc2cccc(C(=O)O)c2)CC1	833499874	MVFKFEZIWLHAFQ-UHFFFAOYSA-N	320.393	1.884	50	20	DDGD	
CC(C)(C)[C@H]1OCCC[C@@H]1CNCc1ccc(B(O)O)cc1	585023602	NSKVIYQQPKJWOI-ZBFHGGJFSA-N	305.227	1.297	50	20	DDGD	
O=S(=O)(CCl)NC[C@@H]1CCN(CCc2ccccc2)C1	830388170	OFXCRKPBLKPJSU-AWEZNQCLSA-N	316.854	1.667	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)NCc1cocn1	730828982	YZAUHYNEHDWYEB-UHFFFAOYSA-N	313.317	1.160	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1ccc([N+](=O)[O-])cc1Cl	833384453	JJJOJCIHLUAOFL-UHFFFAOYSA-N	314.685	1.356	50	20	DDGD	
CCN(CC(=O)NNC(=O)C1CC1)Cc1ccc(Cl)cc1	731866630	QBEMZQNZGNKPHJ-UHFFFAOYSA-N	309.797	1.719	50	20	DDGD	
CCO[C@@H]1CCCC(=NNC(=O)CNC(=O)c2cccs2)C1	905444437	HAHVGISSBPGSJD-GFCCVEGCSA-N	323.418	1.929	50	20	DDGD	
CC/C=C\CNC(=O)NNC(=O)c1c(C)nc2ccccn12	836190848	DCNMAMMKVRNXKM-XQRVVYSFSA-N	301.350	1.553	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C(C)(C)c1ccccc1)c1cnccn1	906624255	FASPEVQNAPCCQT-GFCCVEGCSA-N	312.373	1.705	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc(C)n(C(C)C)n2)n1	830961536	BSSFBMJRCPQULZ-UHFFFAOYSA-N	301.350	1.551	50	20	DDGD	
CCc1[nH]c(C(=O)NN=c2cc[nH]cc2Cl)c(C)c1C(=O)O	830197086	QYRNUMOEXDEYJL-UHFFFAOYSA-N	322.752	1.811	50	20	DDGD	
CO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)COc1cccc(C)c1	836195455	ZOGOXLULMNYVNK-ZIAGYGMSSA-N	321.377	1.272	50	20	DDGD	
CN1C(=O)CC[C@@H]1CC(=O)NNc1ccc(C#N)c(Cl)c1	832115748	YLJVLWOFHOQNCH-LLVKDONJSA-N	306.753	1.666	50	20	DDGD	
COc1ccccc1C(=O)NN=Cc1ccc(O)c(O)c1O	731488560	KJKOCIOCIORIEG-UHFFFAOYSA-N	302.286	1.576	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)C[C@H]1CCCCC1(F)F	831125562	DVDNHZTYVBRIQD-SECBINFHSA-N	313.370	1.308	50	20	DDGD	
COc1nccc(C=NNC(=O)[C@H](C)CN2CCC(C)CC2)n1	834935059	XYBDLPCBPULWCP-CYBMUJFWSA-N	319.409	1.303	50	20	DDGD	
CC1(C(=O)NNC(=O)COCc2ccccc2)CCOCC1	737637325	WAMVJPGTWXZPDM-UHFFFAOYSA-N	306.362	1.167	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CCNC(=O)O)c1	738574997	TTXHGOBGIRNHNY-UHFFFAOYSA-N	310.379	1.279	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C1C[C@H](C)n2ccnc21	834923076	WXOCDLCVOPXYMH-NSHDSACASA-N	314.345	1.756	50	20	DDGD	
O=C(COC(=O)CC1CC1)NNC(=O)c1cccc(Cl)c1	914948162	CGYMPTWIGIJROV-UHFFFAOYSA-N	310.737	1.444	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2nc(C(C)(C)C)n[nH]2)nn1	838755301	CCKZCHDXNBCPSW-UHFFFAOYSA-N	304.358	1.027	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)C1CCCC1)N1CCCCC1	915899901	ZUZISXIEOMDTHI-UHFFFAOYSA-N	310.442	1.772	50	20	DDGD	
CC/C(C)=C\C(=O)OCC(=O)NNC(=O)Cc1ccccc1C	838043258	WFBVJGDRCGLLGK-XFXZXTDPSA-N	318.373	1.584	50	20	DDGD	
C[C@@]1(CNC(=O)c2cccc(C#CCO)c2)C[C@@H]1Br	912826953	DZOXIXFTOHAGGT-ZFWWWQNUSA-N	322.202	1.934	50	20	DDGD	
CCOCCCC(=O)OCC(=O)NNC(=O)c1cccc(C)c1	744749347	WDQYSHJMTZJZTN-UHFFFAOYSA-N	322.361	1.116	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1ccc(F)cc1)C(=O)OC(C)(C)C	840241239	SCTBOTSEQBLNTG-SNVBAGLBSA-N	324.352	1.493	50	20	DDGD	
O=C(NNc1ccc(F)cn1)N[C@H]1CCCN2CCCC[C@@H]12	848675044	PFDQONAQSGISJW-STQMWFEESA-N	307.373	1.864	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc(OC)cc1O	740762961	QTFRFFBVAYFWPB-UHFFFAOYSA-N	307.350	1.156	50	20	DDGD	
O=C(Cc1ccncc1)NN=Cc1ccc(-n2cncn2)c(F)c1	747642625	WRNQEWCWSVZCCZ-UHFFFAOYSA-N	324.319	1.494	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(Cl)ncc1Cl	843655729	KXDOJVNXBIJCGY-RQJHMYQMSA-N	318.160	1.574	50	20	DDGD	
O=C(NN=C/C=C/c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1	747752247	XCJSEFITFSUMTI-GNXRGHPXSA-N	310.350	1.376	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1ccc2c(c1)OCO2)[C@H]1CCOC1	841604485	LNGSQSAWGLFKKZ-FZMZJTMJSA-N	306.318	1.182	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H](CO)c1cccnc1	917485504	VBMPAZSSHOOTFH-NSHDSACASA-N	306.815	1.299	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)C1SCCCS1	841095029	GIKJITZMGPDXCW-UHFFFAOYSA-N	310.444	1.963	50	20	DDGD	
CCN(CC)[C@H](CNC(=O)NNC(=O)C(C)C)CC(C)C	916259066	VAWKPSZJCGDHOK-ZDUSSCGKSA-N	300.447	1.729	50	20	DDGD	
C=CCc1ccc(OCC(=O)NN(C)C[C@@H](C)O)c(OC)c1	910178772	QBLLIFJYUSRGEG-GFCCVEGCSA-N	308.378	1.146	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2cc(C)nn2C)o1	841621655	CXERZQBETVXGCP-UHFFFAOYSA-N	317.393	1.927	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1	912579906	KAOSIOFKQRXHGC-LLVKDONJSA-N	312.486	1.875	50	20	DDGD	
CC(C)(C)OC(=O)[C@]1(C(=O)NNc2nc[nH]n2)CC=CCC1	846652656	GJLPGDPXXAOSMM-CQSZACIVSA-N	307.354	1.316	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1cnc(C2OCCO2)s1	842561592	LKIDTXLQWHJPEG-SCZZXKLOSA-N	311.363	1.064	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCOC[C@@H]1c1ccccc1	744425337	DUILYGPBRFNHQG-CQSZACIVSA-N	319.405	1.253	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2ccc3c(c2)CNCC3)n1	841305425	BYYXFRNJOKZWIX-UHFFFAOYSA-N	312.377	1.888	50	20	DDGD	
CCCN1CCC[C@@H]1C(=O)NNc1oc(C(C)C)nc1C#N	749600803	ZJZMHRFNVNLBOM-GFCCVEGCSA-N	305.382	1.987	50	20	DDGD	
Cc1nc([C@@H]2CCN(C(=O)[C@@]3(C)C[C@H]3Br)C2)n[nH]1	910465525	VTBRWZKTLUONNZ-LNLATYFQSA-N	313.199	1.603	50	20	DDGD	
CC[C@@H](C#N)C(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	846019809	XVBJIDJGDVKDLX-UWVGGRQHSA-N	309.753	1.804	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2oc(C)nc2C)c1	746094866	GXLAZVYDGQYSDL-UHFFFAOYSA-N	319.317	1.383	50	20	DDGD	
CCNCCCNC(=O)NNC(=O)COc1cc(C)cc(C)c1	841917949	QEVBEDSLFZOYDI-UHFFFAOYSA-N	322.409	1.012	50	20	DDGD	
CC(C[C@H]1CCCC(=O)N1)=NNC(=O)Cc1ccc(F)cc1	841612844	QNZJDWHDAQYDRM-CQSZACIVSA-N	305.353	1.919	50	20	DDGD	
COC[C@H]1C[C@@H](O)CN1C(=O)[C@H](Br)C(C)(C)C	846451842	OWYDFBOGEXNNDM-BBBLOLIVSA-N	308.216	1.404	50	20	DDGD	
CN(C)c1nccc(NNC(=O)COc2ccc(Cl)cc2)n1	740102638	DHXKCRQJKQWSED-UHFFFAOYSA-N	321.768	1.718	50	20	DDGD	
N[C@@H]1CCC[C@H]1CC(=O)NNc1ncc(Br)cn1	848436621	YHQZAZZIJCMGSH-IONNQARKSA-N	314.187	1.200	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1cc2ccccc2o1	842592141	JFBVCFABRAHMQK-KOLCDFICSA-N	324.358	1.167	50	20	DDGD	
C[C@H](CCOc1ccccc1)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843654898	SXOAPAARVZADIV-NFAWXSAZSA-N	320.389	1.664	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2ccc(C#N)cc2)[C@H](C)[C@@H]1C	841583229	UWOGMYPOPJAEBO-IJLUTSLNSA-N	300.362	1.889	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1ccc(OCCN(C)C)cc1	842554746	KJSNLDZOJNZBDN-XJKSGUPXSA-N	319.405	1.502	50	20	DDGD	
COCCn1c(C)cc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)c1C	842558732	SNCOTJJGIILLMB-UKRRQHHQSA-N	307.394	1.626	50	20	DDGD	
C[C@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)Cc1ccccc1F	759767102	LLEXDMAYRDIAKI-NEPJUHHUSA-N	323.368	1.514	50	20	DDGD	
Cc1nnc(NNC(=O)C[C@@H](C)c2ccc(F)cc2F)nc1O	752612283	YFCCSMMKTGILCY-SSDOTTSWSA-N	323.303	1.801	50	20	DDGD	
Cc1cccnc1[C@H](NC(=O)NNC(=O)c1cn[nH]c1)C(C)C	858224976	ZCNANCXDEPROIB-GFCCVEGCSA-N	316.365	1.454	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	859829108	LEIZEZYHMHAQEV-BHYGNILZSA-N	307.353	1.357	50	20	DDGD	
CNC(=S)N(C)NC(=O)Cc1nc(C(C)C)c(C)s1	854920067	IVOCPBNDXXZIJX-UHFFFAOYSA-N	300.453	1.585	50	20	DDGD	
CC(=O)Nc1cccc(NC(=O)NNC(=O)C2CCCC2)c1	755495761	VDAKVYDLKRAAAK-UHFFFAOYSA-N	304.350	1.988	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NN=Cc1cnc2ncccn12	755696868	TZPXKDIBFFBDLZ-UHFFFAOYSA-N	318.340	1.834	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2C[C@H]2C2CC2)cc1OC	751211423	QLYDUVLSCCAKLF-NWDGAFQWSA-N	304.346	1.511	50	20	DDGD	
O=C(NN=C1CCOC[C@@H]1CN1CCCCC1)c1cc[nH]n1	853393018	YYMKGOXFNDACSO-LBPRGKRZSA-N	305.382	1.018	50	20	DDGD	
CSc1cc(C(=O)NNC(=S)NCC2CCC2)ccn1	855091948	KKYUAOQBNNHHHS-UHFFFAOYSA-N	310.448	1.713	50	20	DDGD	
COCC(=O)N(C)CC(=O)OC[C@H](CBr)C1CC1	859613474	HUVFTZSPANRRAY-JTQLQIEISA-N	322.199	1.056	50	20	DDGD	
Cc1occc(=O)c1OCC(=O)OC[C@@H](C)CBr	923951277	SXTKXIUEVYSVTI-QMMMGPOBSA-N	319.151	1.901	50	20	DDGD	
COCC(=NNC(=O)c1cc(Br)c[nH]1)C1CC1	754259732	RMCNPZNPIGKMEN-UHFFFAOYSA-N	300.156	1.919	50	20	DDGD	
C[C@@H](C(=O)NN=c1cc[nH]cc1Cl)n1nnnc1C(C)(C)C	758326135	QTHNVUUEFPWTED-QMMMGPOBSA-N	323.788	1.145	50	20	DDGD	
COCC(=O)N[C@H](C(=O)NNc1cc(F)ccc1C)C(C)C	855367658	YFVOVYRLIRHCCF-AWEZNQCLSA-N	311.357	1.364	50	20	DDGD	
Cc1nc(C)c(C(=O)NNc2ccc(C(F)(F)F)nn2)o1	755187125	CTFDDBRZXFUTMK-UHFFFAOYSA-N	301.228	1.857	50	20	DDGD	
C[C@]1(CNC(=O)c2cccc(C(N)=O)c2)C[C@H]1Br	857397618	HUKQFJASAXGDSY-ZWNOBZJWSA-N	311.179	1.689	50	20	DDGD	
COc1cccc(CNS(=O)(=O)CBr)c1C	851870108	ZVQHPUWSZQCKBJ-UHFFFAOYSA-N	308.197	1.775	50	20	DDGD	
COCCCS(=O)(=O)NC[C@]1(C)C[C@@H]1Br	856755314	UKNNAJYRHDCVQK-IUCAKERBSA-N	300.218	1.116	50	20	DDGD	
CCNC(=O)NNC(=O)C1(c2ccc(OC)c(OC)c2)CCC1	755163979	UMFSLWUNRVDWKX-UHFFFAOYSA-N	321.377	1.476	50	20	DDGD	
CN(C)C[C@@H]1CCN(C(=O)NC[C@@]2(C)C[C@H]2Br)C1	856952983	NOINQJLJJYLDIV-DMDPSCGWSA-N	318.259	1.753	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cccc(Cl)c2)nn1C	757755105	GCZDONTUPOKAQC-UHFFFAOYSA-N	307.741	1.848	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cnc(C3CC3)s2)nc1	759734626	MGZRSOANMHGIES-UHFFFAOYSA-N	318.358	1.959	50	20	DDGD	
CCc1nocc1C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	854378661	XZVNISDSUALBMT-UHFFFAOYSA-N	317.349	1.770	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC2(N)CCCC2)c1	851671221	IJQFVPIUJZIZMP-UHFFFAOYSA-N	306.366	1.371	50	20	DDGD	
C[C@H](O)[C@H]1CCCN1C(=O)NC[C@]1(C)C[C@@H]1Br	856960601	RULFKOQGVPPRTE-WYFGTUCQSA-N	305.216	1.715	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)Cc1cc(C)cc(C)c1	853953133	GSSVJDMEIGQSID-LBPRGKRZSA-N	306.362	1.335	50	20	DDGD	
CS(=O)(=O)c1cc(C(=O)NCCCSC#N)ccc1F	854359558	ORQOLYVHYQAAQK-UHFFFAOYSA-N	316.379	1.563	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)CC[C@@H]1NC(=O)NC1=O	854578589	JNZGWDNCDBVSTC-LBPRGKRZSA-N	318.377	1.550	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccnn1CC1CC1	853311458	VGZCUGHNPZYIKY-UHFFFAOYSA-N	305.382	1.048	50	20	DDGD	
CCCOc1ccc(NC(=O)NNC(=O)c2c[nH]nc2C)cc1	757846462	UEIWGUYLRCQGQV-UHFFFAOYSA-N	317.349	1.973	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNC(=O)c2cnccn2)cc1C	757780386	HSRDJFNRTRRAFV-UHFFFAOYSA-N	313.317	1.454	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)COc1ccccc1OC)C1CC1	851915997	WXSURWFVOFJUJU-LBPRGKRZSA-N	321.377	1.593	50	20	DDGD	
CNC(=O)/C(C#N)=C/c1ccc(OCCN2CCOCC2)cc1	864365279	RXNCVLXDNSAHCZ-NTCAYCPXSA-N	315.373	1.051	50	20	DDGD	
O=C(NN=Cc1cn(-c2ccc(F)cc2)nn1)NC1CCCC1	863084294	DUZUSPQAVXTIJM-UHFFFAOYSA-N	316.340	1.982	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)CCc2ccccc2)nn1	766425382	OWOPNACAKYVTGY-UHFFFAOYSA-N	301.350	1.082	50	20	DDGD	
COCC(=O)NN=C(C)c1ccc(OC(F)F)c(OC)c1	761824694	OMRFWOKGOUZCNC-UHFFFAOYSA-N	302.277	1.783	50	20	DDGD	
Cc1cc(=NNC(=O)CNC(=O)CCC2CCCC2)cc[nH]1	862510949	AKCHDVOEWBPKLQ-UHFFFAOYSA-N	304.394	1.342	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)c2cccc(Cl)n2)[C@@H]1C	863931808	WBXKPRVCHNIKAQ-SREGZZRCSA-N	311.769	1.556	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(Cn3ccnc3)c2)n[nH]1	768276611	ASYLHYVHJJZDQK-UHFFFAOYSA-N	324.344	1.038	50	20	DDGD	
O=C(NN=CCCc1ccc2c(c1)OCCO2)c1cn[nH]c1	863155009	TXAXBOVHYIGQRN-UHFFFAOYSA-N	300.318	1.529	50	20	DDGD	
CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NNc1ccccc1Cl	766278622	ZFYUTPKMKIWXIW-ONGXEEELSA-N	310.785	1.881	50	20	DDGD	
O=C(NNC(=O)c1ncc2ccccn12)NC1CCCCC1	864460915	IMYJCGWHQJYCLI-UHFFFAOYSA-N	301.350	1.611	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)[C@@H](O)c1ccccc1	765177451	RTFYIGQHIPTJKZ-AWEZNQCLSA-N	320.370	1.267	50	20	DDGD	
CCNc1ncc(C(=O)NNC(=O)NCC(F)(F)F)s1	861515373	XPTSKVIHZLLIGA-UHFFFAOYSA-N	311.289	1.081	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@H](O)CC(C)C)cc(C#N)n1C	762473090	LHIIVEHBDSDJBB-QHDPKREISA-N	314.389	1.635	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cnc(Cl)cn1	863942356	QFGSFYJZYLLMRS-UHFFFAOYSA-N	304.606	1.562	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1ccc(C(=O)OC)cc1	767788507	MOQKMHIWKTVEDA-LBPRGKRZSA-N	322.361	1.365	50	20	DDGD	
COc1ccc(CC(=O)NN[C@H](C)C(F)(F)F)cc1OC	862302948	GMIQDOICWHRQQI-MRVPVSSYSA-N	306.284	1.818	50	20	DDGD	
O=C(NNC(=O)c1cc(F)cc2cccnc12)c1ccccn1	767187129	YJKQRVKOIZIXLD-UHFFFAOYSA-N	310.288	1.844	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)C(=O)Nc1ccc(C2CC2)cc1	763465148	UBGUZMPPFRSTAE-UHFFFAOYSA-N	324.340	1.359	50	20	DDGD	
CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@]1(C)C[C@@H]1Br	862259149	ZCPMWJGQFFHGGW-NTZNESFSSA-N	319.243	1.827	50	20	DDGD	
COc1cccc(S(=O)(=O)NCC(Cl)Cl)c1F	867468439	GRLFGPFXWPPTPO-UHFFFAOYSA-N	302.154	1.916	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSc1ncc(C(C)(C)C)[nH]1	865382487	UQGHYACMEDXVNN-UHFFFAOYSA-N	312.439	1.993	50	20	DDGD	
CC(=O)N[C@H](CC(C)C)C(=O)NNC(=O)Nc1ccccc1C	861514362	BWNJGFKPNKZPCN-CQSZACIVSA-N	320.393	1.699	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1N(C)C	769569894	LSOHLZABKWRTHV-LBPRGKRZSA-N	323.418	1.028	50	20	DDGD	
O=C(NNc1ccc(F)c(Cl)c1)[C@@H]1CCCS1(=O)=O	863082727	RFGJEOMVKDDWOE-JTQLQIEISA-N	306.746	1.499	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(O)c(F)c2)nc1	768324235	YMQRTSWOXMGXQK-UHFFFAOYSA-N	305.265	1.470	50	20	DDGD	
C[C@H](NC(=O)C1CCCCC1)C(=O)NN[C@@H](C)C(F)(F)F	862308226	AFXRCONUPDOQEH-IUCAKERBSA-N	309.332	1.643	50	20	DDGD	
Cc1sc(Cl)nc1C(=O)NNc1cc(Cl)nc(N)n1	762900142	PBPNHCHJUXWOCQ-UHFFFAOYSA-N	319.177	1.887	50	20	DDGD	
NC(=O)c1csc(C(=O)NNc2cnc3ccccc3n2)c1	765989389	BIQXCNPBDAQPNW-UHFFFAOYSA-N	313.342	1.547	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)C(=O)Nc1cncnc1	1116670169	ZAVPCKYBZOJABM-UHFFFAOYSA-N	308.301	1.107	50	20	DDGD	
COc1cccc([C@@H](O)C(=O)NNC(=O)c2ccccc2F)c1	764587960	AOLFZYDGXYDUDL-CQSZACIVSA-N	318.304	1.329	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@H]1CCCN1Cc1ccccn1	762090084	HYBMCCIITNSJHL-CYBMUJFWSA-N	316.340	1.118	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)NC/C=C/C1CC1	1117835713	HVMLCKCAWQVVTG-SNAWJCMRSA-N	303.362	1.752	50	20	DDGD	
CN1CCC[C@@H]1C(=O)NNC(=S)Nc1cccc(Cl)c1	873786207	WPHDSEVEIZUKTD-LLVKDONJSA-N	312.826	1.752	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)NNc1ccc(F)cn1)C2	874647570	XHIBHGVFPPJPPO-WCQGTBRESA-N	320.324	1.307	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=CC(C)(C)S(C)(=O)=O	1116378707	XABMLIYWYKCYMA-UHFFFAOYSA-N	322.390	1.182	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)N[C@@H]1CC12CCC2	873263125	GJMQDHFJHURZJV-GFCCVEGCSA-N	309.391	1.659	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)CNc1ccc(OC)cc1	878037947	UTYLUFSELHIFNL-UHFFFAOYSA-N	309.366	1.070	50	20	DDGD	
Cc1ncc([C@@H](C)NCC(=O)NNC(=O)c2ccccc2)s1	879252368	NXNQHFJLCUYGAQ-SNVBAGLBSA-N	318.402	1.563	50	20	DDGD	
O=C(Cc1ccccc1CO)NNc1nc(-c2ccccc2)no1	779779588	ZYVBRWBUIKIDJW-UHFFFAOYSA-N	324.340	1.915	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnn(-c2ccccc2C)c1CC	771274411	VXMJGKFQWPXUKM-UHFFFAOYSA-N	315.377	1.707	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)CN1CCCCS1(=O)=O	879524320	UJVUCESIJOCEBJ-UHFFFAOYSA-N	315.370	1.003	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccccc1OC(F)(F)F	775529236	QWWVZIOSGLQVMG-UHFFFAOYSA-N	317.267	1.939	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNc2ccc3c(=O)[nH]ccc3c2)C1	875906820	VNJSCJCBXMXNNT-HAQNSBGRSA-N	302.334	1.332	50	20	DDGD	
CSc1cccc(NC(=O)NNC(=O)C2CCOCC2)n1	879575578	MDHWWWSUPMIRRX-UHFFFAOYSA-N	310.379	1.383	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2c(F)ccc(F)c2F)n1	776154996	BUEWRGHLKROWJY-UHFFFAOYSA-N	311.267	1.717	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C1(C#N)CCCCC1	772041203	BGPYLKWYFMYAED-LBPRGKRZSA-N	323.393	1.586	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccccc2)c(=O)n(C)c1	775344536	MXOOWSNKYURGAY-UHFFFAOYSA-N	300.318	1.160	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)Nc1nsc2ccccc12	880018794	FIBBHFBKDMEWFT-UHFFFAOYSA-N	320.374	1.876	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cc2cccnc2s1	883071055	NKTSKWGYAUEOLV-UHFFFAOYSA-N	305.359	1.484	50	20	DDGD	
CC(C)C[C@@H]1CCCN1CC(=O)NNC(=O)c1ccccc1	777567225	QCMHFOOFXTWUMF-HNNXBMFYSA-N	303.406	1.958	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1oc2ccccc2c1C	771845593	ITFHLLAFNMHKLG-JTQLQIEISA-N	318.329	1.844	50	20	DDGD	
CC(C)CC(=O)N1CCCC[C@@H]1C(=O)NNc1ncc(F)cn1	1123774778	MVGXLEAVKWYJEL-GFCCVEGCSA-N	323.372	1.486	50	20	DDGD	
CC[C@@H](C)CCCCC(=O)NNC(=O)C(=O)Nc1ccccn1	784686804	OGEHCRFAYRUXLH-GFCCVEGCSA-N	320.393	1.774	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@H](C(=O)NNc2cccc([N+](=O)[O-])c2)C1	787134466	ZJMDWVKQNREBKC-ZJUUUORDSA-N	306.322	1.330	50	20	DDGD	
CS(=O)(=O)CCCC(=O)NNc1c(F)cc(F)cc1F	885150949	PQYRRAGWEKVKCT-UHFFFAOYSA-N	310.297	1.372	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CC[C@@H]2CC[C@H](C)O2)cc1O	882048539	BOIHDZBHJQUFIF-AAEUAGOBSA-N	306.362	1.809	50	20	DDGD	
CCCN(CC(=O)OC(C)(C)C)S(=O)(=O)CCCCl	882065581	IYOFIJNCCFHEGF-UHFFFAOYSA-N	313.847	1.999	50	20	DDGD	
CC(C)N1CCC[C@@H](CNC(=O)NNc2ccc(C#N)cn2)C1	888169162	AQLRCXORXBIACV-AWEZNQCLSA-N	316.409	1.700	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21	891495918	UDAACTMHPSFIIU-HFBAOOFYSA-N	316.357	1.000	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1c(C)cc(OC)cc1C	782477824	AFPMNLLLKGEPRQ-UHFFFAOYSA-N	315.395	1.167	50	20	DDGD	
CCc1nn(C)cc1NC(=O)C(=O)NNc1ccc(Cl)nc1	784870100	BQTAZLRVNNHYLL-UHFFFAOYSA-N	322.756	1.113	50	20	DDGD	
CCN(C)[C@@H](C(=O)NNC(=S)NC(C)(C)C)c1ccccc1	899994999	DDSBQZAQZLBWFT-CYBMUJFWSA-N	322.478	1.973	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)nc1	781533683	LXJJZPGYNAXCCS-LLVKDONJSA-N	306.366	1.038	50	20	DDGD	
CO[C@@H](C(=O)NNc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1	798982470	CLSMZAGBRMWDKI-GFCCVEGCSA-N	305.294	1.159	50	20	DDGD	
C[C@H](NC(=O)NN(C)c1ccccc1)c1nnnn1C1CC1	791080753	GALQQFOKCZNVNZ-JTQLQIEISA-N	301.354	1.420	50	20	DDGD	
CC(C)Cc1ncc(NC(=O)C(=O)NNc2ccccc2)cn1	792353195	SJINDDXDFAEKEZ-UHFFFAOYSA-N	313.361	1.757	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1)c1cc(C)on1	790287319	LMCDYPLMAXRMHY-RTXFEEFZSA-N	322.409	1.569	50	20	DDGD	
CC(C)(CC(=O)NNC(=O)C(=O)N1CCCC1)C1CCCCC1	793303025	BEYKNDIEQNZPJL-UHFFFAOYSA-N	323.437	1.753	50	20	DDGD	
C=C[C@H](NNC(=O)CNc1c(C)cc(C)cc1C)C(=O)OC	799977114	SOBUOVDRMVLDQZ-ZDUSSCGKSA-N	305.378	1.372	50	20	DDGD	
C=C(CBr)CN1C[C@H](CO)C[C@@H](OCCOC)C1	791539848	IINUQNGOAXMOIK-CHWSQXEVSA-N	322.243	1.283	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccc2ccccc2n1)[C@H](C)O	790069870	FMHGVPZAWREBMY-JQWIXIFHSA-N	301.346	1.403	50	20	DDGD	
C[C@H](CBr)CN1C[C@@H](N2CCOCC2)C[C@@H]1C	796373499	BABAXPMNDSEHCS-AGIUHOORSA-N	305.260	1.812	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(F)ccc1-n1cccn1	793201184	NRUULWCFRURPSH-UHFFFAOYSA-N	319.340	1.756	50	20	DDGD	
CC(=O)N1CCC[C@@H](CNC(=O)NNc2cccc(C#N)c2)C1	793307646	DLVXWKSKJZNXGH-AWEZNQCLSA-N	315.377	1.443	50	20	DDGD	
O=S(=O)(CBr)NCCc1ccc2c[nH]nc2c1	790383769	AGKUIXYQQKCNGD-UHFFFAOYSA-N	318.196	1.377	50	20	DDGD	
COC(=O)c1ccc(Cl)c(C=NNC(=O)c2cc(C)[nH]n2)c1	794858177	YKOKNIZFQKYRMR-UHFFFAOYSA-N	320.736	1.922	50	20	DDGD	
CCc1ccnc(CNC(=O)NNC(=O)CC(F)(F)F)c1	798119267	ZDPUFQOFMKABAF-UHFFFAOYSA-N	304.272	1.427	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1cccc(N2CCC2=O)c1	790570319	BGBOQMHIWAWBIT-UHFFFAOYSA-N	313.317	1.218	50	20	DDGD	
C[N+](C)(C)CC(=O)NN=C1CCCC[C@@H]1N1CCCCCC1	794456124	IFIACEGHZJNTLS-INIZCTEOSA-O	309.478	1.983	50	20	DDGD	
COC1(C=NNC(=O)[C@@H]2COc3ccccc3O2)CCCC1	790142713	CYSMUINBFIALIK-AWEZNQCLSA-N	304.346	1.888	50	20	DDGD	
C=C(CBr)CN(CCC)[C@H]1CCS(=O)(=O)C1	791449510	BZYFRXPBAHGALX-NSHDSACASA-N	310.257	1.837	50	20	DDGD	
Cc1cccnc1NNC(=O)c1ccccc1NS(C)(=O)=O	791214506	ICSVUKDMNRVOCW-UHFFFAOYSA-N	320.374	1.518	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CCCCN1Cc1cccnc1	1318396341	HSSLVUASMXGPAH-AWEZNQCLSA-N	304.394	1.240	50	20	DDGD	
Cc1c(C(=O)NNc2nncc(N)c2Cl)cnn1C(C)C	1319733166	PMVJONQSFWMQMH-UHFFFAOYSA-N	309.761	1.555	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1cnn(C2CCCCC2)c1	1318411589	BZBACGOYPDEWND-UHFFFAOYSA-N	301.350	1.791	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=S)NC(C)C)c1ccccc1F	1321929853	LMAWEPZXWHQQSW-CQSZACIVSA-N	313.398	1.591	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C[C@H](C)NC(=O)OC(C)(C)C	1329710866	PXXBPCYJEVSDSW-VIFPVBQESA-N	318.443	1.193	50	20	DDGD	
Cc1cc(C)n2ncc(C(=O)NNc3ncncc3Cl)c2n1	1320834964	ZJPZEHXHYQZAFZ-UHFFFAOYSA-N	317.740	1.546	50	20	DDGD	
C[C@H]1CCCN(c2cc(C(=O)NNc3ccn(C)n3)ccn2)C1	1326191648	BSLXNHOGUVSHKB-LBPRGKRZSA-N	314.393	1.808	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H](C)n1ccnc1)c1ccccc1	1322711197	MVXCVWXFZXFJOF-JSGCOSHPSA-N	300.362	1.785	50	20	DDGD	
CNC[C@H](C)CNC(=O)NNC(=O)Nc1ccc(Cl)cc1	1326134059	TVPFJNFMQCJTFR-VIFPVBQESA-N	313.789	1.531	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ncoc2[C@H]2CCCO2)n1	1320967647	MANOTZZWAXVMFG-ZCFIWIBFSA-N	324.728	1.309	50	20	DDGD	
O=C(NN=Cc1cn(-c2ccc(F)cc2)nn1)C1CCOCC1	1333654631	OUMXPSSACFVLDC-UHFFFAOYSA-N	317.324	1.283	50	20	DDGD	
Cc1ccc(C(=O)NN=C2CCCC[C@H]2S(C)(=O)=O)cc1O	1330890873	BOCFUUMDOBSHAC-CQSZACIVSA-N	324.402	1.774	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(CC(=O)OC)c(F)c1	1333466587	FMBJMKBMNKITQG-UHFFFAOYSA-N	313.329	1.156	50	20	DDGD	
O=C(CC1=CCCCC1)NNC(=O)c1n[nH]c2c1CCCC2	1251690509	MHNCJXCQZAMSSD-UHFFFAOYSA-N	302.378	1.940	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNc1cc(O)nc2ncccc12	1336051788	AIJHICGPBLEBAL-CMPLNLGQSA-N	302.334	1.594	50	20	DDGD	
O=C(NN=Cc1nc(-c2ccccc2)no1)C1CCOCC1	1331995513	YSLSNWHXXQFOGJ-UHFFFAOYSA-N	300.318	1.613	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)NC1(C(F)(F)F)CC1	1262323521	NEDWUTLDKAFVTH-UHFFFAOYSA-N	306.219	1.260	50	20	DDGD	
COCCOCc1ccc(C=NNC(=O)C2CCOCC2)cc1	1262038207	AZDUACVCASIDGX-UHFFFAOYSA-N	320.389	1.726	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CSCc1cccs1	1346069844	VPGJDJXKCJYQBH-KOLCDFICSA-N	314.432	1.554	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NCCC(F)F)ccc1F	1348382288	LBBRIBSBIUWTNR-UHFFFAOYSA-N	305.256	1.894	50	20	DDGD	
CC1(O)CCC(NC(=O)NNc2nncc(N)c2Cl)CC1	1350838029	MEUQEFPUHQOWRI-UHFFFAOYSA-N	314.777	1.032	50	20	DDGD	
CS(=O)(=O)N[C@@H]1CCCN(C(=O)C2CCC(Cl)CC2)C1	1521715498	NHZBNOSZVFLKOA-HTAVTVPLSA-N	322.858	1.324	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)[C@@H]1C[C@H]1C1CCOCC1	1602471700	NCNDMGMYPMAGIY-QWHCGFSZSA-N	304.346	1.891	50	20	DDGD	
Cc1ccc(OS(=O)(=O)CBr)cc1C(=O)O	1607816255	NBOBAAFVHFEPFC-UHFFFAOYSA-N	309.137	1.754	50	20	DDGD	
N#C/C(=C\c1ccc(/C=C\C(=O)O)o1)S(=O)(=O)NC1CC1	1601044949	FLIWRIBOWBKOFY-UNKATYBDSA-N	308.315	1.324	50	20	DDGD	
Cc1cc(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)c(C)n1C	1605652831	SFSUZMNNTCYHFN-UHFFFAOYSA-N	323.360	1.586	50	20	DDGD	
Cc1c(CC(=O)NNc2cccc(F)c2C(=O)O)cnn1C	1600010829	FINKSNDSAYLCOL-UHFFFAOYSA-N	306.297	1.252	50	20	DDGD	
CSC1(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CCC1	1605370743	ZPRMOAZHEDXWBG-UHFFFAOYSA-N	316.390	1.868	50	20	DDGD	
O=C(Cc1cncc(O)c1)NNc1ccc(C(=O)O)cc1F	1601372751	VFOUBYPXBCKIAP-UHFFFAOYSA-N	305.265	1.310	50	20	DDGD	
C[C@H]1CNCC[C@@H]1NC(=O)NNc1ccc(C(=O)O)c(F)c1	1604815611	TTXHCIZSWOERGK-UFBFGSQYSA-N	310.329	1.148	50	20	DDGD	
O=C(/C=C/c1cc(C(=O)O)co1)NNC(=O)Nc1ccccc1	1608284259	INOMQWMVXVGRQL-VOTSOKGWSA-N	315.285	1.844	50	20	DDGD	
O=C(NNC(=O)[C@]1(C(=O)O)CC=CCC1)c1ccccc1F	1605814441	AQORCLBBEFLPEY-HNNXBMFYSA-N	306.293	1.398	50	20	DDGD	
Cc1ccc(C(=O)O)cc1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	1600359718	YNFBPNVJNWGLNS-KOLCDFICSA-N	321.333	1.271	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNc1cccc(C(=O)O)c1F	1610013470	PZDKZINLFXUZRM-MRVPVSSYSA-N	312.297	1.556	50	20	DDGD	
O=C(NN=Cc1cc(Cl)cs1)[C@H]1CN2CCC[C@H]2CO1	1549321940	WKSYBSNAMIYIAF-CMPLNLGQSA-N	313.810	1.715	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@@H]1C=NNC(=O)[C@@H]1CCCO1	1552762863	MZHMFGZCSPMCQK-FRRDWIJNSA-N	306.366	1.262	50	20	DDGD	
COC[C@@]1(C(=O)NNc2ccnc(C(F)(F)F)c2)CCNC1	1578977029	PVFVJKNTWWRZJE-GFCCVEGCSA-N	318.299	1.170	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@H]2C[C@H]3CN[C@@H](C3)C2)cc(C#N)n1C	1579529358	DYNWLRZXPSVGEZ-HMOWQBJISA-N	323.400	1.369	50	20	DDGD	
C[C@@H](CBr)COC(=O)c1ccc(C(=O)O)nc1	1588988300	ZQMQVXZGBMTIBW-ZETCQYMHSA-N	302.124	1.968	50	20	DDGD	
N[C@H](C(=O)NNc1ncccn1)c1ccc(Br)cc1	1580114989	IJNHKASMGYLYOY-JTQLQIEISA-N	322.166	1.382	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N[C@H](C)CC(=O)O)c1ccccc1	1589429025	CXKSOTOVOHJMBV-ZYHUDNBSSA-N	307.350	1.374	50	20	DDGD	
O=C(C[C@]12CCCC[C@H]1C2(F)F)NNC(=O)C1CCNCC1	1580515405	NWAFIVZTMRCALR-BXUZGUMPSA-N	315.364	1.349	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)C#CC2CC2)C1	1841542297	DKPRHRGPVQBYLR-ZDUSSCGKSA-N	308.809	1.621	50	20	DDGD	
Cc1ccc(O)cc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1592185978	CVIGJSSFBGINNC-UHFFFAOYSA-N	310.317	1.638	50	20	DDGD	
N#Cc1ccc(F)c(C(=O)NNc2ncccc2C(=O)O)c1	1594619512	DRDWMKNWLQBOLE-UHFFFAOYSA-N	300.249	1.547	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)c1cnc(C(=O)O)cn1	1593640214	USWUGOYSXQDHTK-UHFFFAOYSA-N	300.318	1.803	50	20	DDGD	
Cc1cc(NC(=O)NNc2ccc(-c3nn[nH]n3)cn2)sn1	1592026683	BNOZMOCVWVZWCT-UHFFFAOYSA-N	317.338	1.175	50	20	DDGD	
CCC[C@H](OC)C(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1595607745	NLPGBONOOSWUCB-JTQLQIEISA-N	315.395	1.395	50	20	DDGD	
CC1(C)COC[C@H]1NC(=O)NNc1ccc(F)c(C(=O)O)c1	1593959040	KCIFNMCICZIOFG-LLVKDONJSA-N	311.313	1.575	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C/c1ccc(OCCC(=O)O)cc1	1776946145	GSGRNUPJOHDXLS-UKTHLTGXSA-N	309.343	1.839	50	20	DDGD	
CN(C)c1ccc(C(=O)O)cc1C=NNC(=O)c1ccon1	1776105907	IVDBZXCYDFIAJL-UHFFFAOYSA-N	302.290	1.203	50	20	DDGD	
O=C(CSc1nccn1C1CC1)NNC(=O)c1ccccc1	11892593	ACYUWUACMJGAKW-UHFFFAOYSA-N	316.386	1.771	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2cc(Cl)cn2C)c1	12394203	MRNBWWMXAYQLAC-UHFFFAOYSA-N	320.780	1.819	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@H]1Cc2ccccc2S1	12748079	UIAJDFVCQYRYDF-NSHDSACASA-N	309.460	1.997	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cc2ccccc2oc1=O	17398585	YKWQCVVYWDRZHL-UHFFFAOYSA-N	304.302	1.963	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CNC(=O)c1ccco1)C1CCCC1	162238676	YPCZYKAWXBSCTI-UHFFFAOYSA-N	321.377	1.373	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)CCc1ccc(OC)cc1	162523299	AOKRZCSHCUCDKB-UHFFFAOYSA-N	316.361	1.305	50	20	DDGD	
CC[C@@H]1CCN(C(=O)NNC(=O)c2c(C)nc3ccccn23)C1	151972709	RLTDFIBBVWLFRK-GFCCVEGCSA-N	315.377	1.729	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)[nH]n1	153067630	OHYSYZTVZXKIPR-NWDGAFQWSA-N	302.309	1.422	50	20	DDGD	
C#CCOc1ccc(C(=O)NNc2ncccc2[N+](=O)[O-])cc1	153403868	CYZOUEWTXYBGPD-UHFFFAOYSA-N	312.285	1.759	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cccc2[nH]c(=O)oc12)C1CC1	154118581	GKKUKGUSNLXDBG-ZETCQYMHSA-N	320.374	1.029	50	20	DDGD	
O=C(CCCNC(=O)c1cccnc1)NNc1cccc(F)c1	154278964	ROOHRNHZIYYJPO-UHFFFAOYSA-N	316.336	1.874	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCOc1ccc(Cl)cn1	159950375	MDDJSENHOXKOFK-UHFFFAOYSA-N	314.773	1.490	50	20	DDGD	
O=S(=O)(CCCCl)NCc1ccc2c(c1)OCCCO2	881856501	OHQMSPRVQDDYHB-UHFFFAOYSA-N	319.810	1.896	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CC=C(C#N)CC1	273948357	XXTIMYNKADWPCL-QWHCGFSZSA-N	321.377	1.039	50	20	DDGD	
CSSCCNS(=O)(=O)Cc1ccc(C#N)cc1	289130208	JINTXVXBSHPUAV-UHFFFAOYSA-N	302.446	1.989	50	20	DDGD	
CC(C)CN(Cc1ccccc1)C(=O)c1cccc(B(O)O)c1	584935926	BYYRBZYFRJVCTE-UHFFFAOYSA-N	311.190	1.665	50	20	DDGD	
COC[C@@](C)(O)CNS(=O)(=O)c1ccc(CCCl)cc1	382566110	OFPIOOVFRCZGLX-ZDUSSCGKSA-N	321.826	1.144	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)c1ccc(C#N)cc1)c1ccccc1	106758193	NUNSHVGGYSUKEQ-SFHVURJKSA-N	323.352	1.881	50	20	DDGD	
CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)CCCCCl	154197423	WNJCSVSWFBWJPS-JTQLQIEISA-N	319.876	1.090	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)sc1Cl)C(=O)NC1CC1	10213836	IURKAKBHORNCKX-UHFFFAOYSA-N	322.173	1.095	50	20	DDGD	
O=C(NNC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1	8350285	XSQVVVBGQYTOHL-UHFFFAOYSA-N	323.352	1.888	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCn2cccn2)cc1	114971269	SOPYQAUIRDDNMB-UHFFFAOYSA-N	301.350	1.090	50	20	DDGD	
C=CCNC(=S)NNC(=O)C[C@@H]1OCCc2ccccc21	115728794	OXUPNGICDCGEBI-ZDUSSCGKSA-N	305.403	1.372	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1noc2c1CCCC2	108975107	UWQWSSIGUSDVEJ-UHFFFAOYSA-N	317.320	1.696	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cnn(C)c2)oc2c(C)cccc12	117680475	ZMTAHJOFFVDAOE-UHFFFAOYSA-N	312.329	1.858	50	20	DDGD	
O=C1CCSc2ccc(C(=O)NNC(=O)C3CC3)cc2N1	26967732	ZODGJGCDSWJBSD-UHFFFAOYSA-N	305.359	1.292	50	20	DDGD	
CSC[C@@H](C)C(=O)NNc1nc2ccccc2c(=O)n1C	113186821	DNTHPDBLJIYCTM-SECBINFHSA-N	306.391	1.376	50	20	DDGD	
COCC1CCN(CC(=O)NNC(=O)c2ccc(C)cc2)CC1	112354058	BSQFJKQTZKINMW-UHFFFAOYSA-N	319.405	1.114	50	20	DDGD	
CC[C@@H](OC)C(=O)NNC(=O)Cc1ccc2ccccc2c1	68428086	HJDXSJIGZWVXIR-OAHLLOKOSA-N	300.358	1.955	50	20	DDGD	
CNC(=O)NNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1	110660665	SRPYVSZEBPAFND-CYBMUJFWSA-N	318.421	1.290	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)cc1	171230334	CPCBEIAVSPHTQW-CFVMTHIKSA-N	312.373	1.938	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NOCc2cccnc2)cc(C#N)n1C	179006861	ZJHCJDCUTUWLBE-GIDUJCDVSA-N	321.340	1.755	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccc(C#N)cn1)c1ccccc1	110338879	OBUPEMVCNAUBKM-AWEZNQCLSA-N	308.341	1.908	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCc2cccs2)n1	173222096	SLOBYGKVYGYZSF-UHFFFAOYSA-N	307.379	1.724	50	20	DDGD	
CCNc1ncc(C(=O)NNC(=O)c2ccc(C#N)cc2)s1	128348157	UFEXIVUAOPMQCW-UHFFFAOYSA-N	315.358	1.521	50	20	DDGD	
O=C(NNC(=O)c1c(F)c(F)cc(F)c1F)c1cccnc1	177458544	NXJWPEHUDBZBOV-UHFFFAOYSA-N	313.210	1.713	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2CCC3(CCC3)C2)n1	122834283	KWKMMKQFSUMPOQ-UHFFFAOYSA-N	322.434	1.017	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)C=C1CCC1	186070006	ABGFLAWKOKJTHZ-UHFFFAOYSA-N	310.375	1.652	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2c(F)cccc2F)n1	128237630	XYXMJVLVLUSGPT-UHFFFAOYSA-N	308.288	1.239	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCC(F)(F)F)c1	79442243	NJQYCDFTEVEXNF-UHFFFAOYSA-N	304.272	1.259	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ncc(F)cn2)c2ccc(F)cc2N1	122813103	FLYOJCIQMXAQPY-JTQLQIEISA-N	319.271	1.324	50	20	DDGD	
C[C@H](CO)SCC(=O)NNC(=O)c1ccc(Cl)cc1	79096516	LSMBZKKIVPPGPL-MRVPVSSYSA-N	302.783	1.215	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@H](C)c2ncc(C)s2)n1	183189187	WEJZKWXVJOUMEP-QMMMGPOBSA-N	322.394	1.680	50	20	DDGD	
CC1CCN(CCCCNC(=O)NNC(=O)c2ccc[nH]2)CC1	128659676	AGPYFJIXNLZGPX-UHFFFAOYSA-N	321.425	1.471	50	20	DDGD	
CCCc1ccccc1NC(=O)C(=O)NNC(=O)[C@H](C)CC	124734760	NHQXSTQQLCPXAN-LLVKDONJSA-N	305.378	1.771	50	20	DDGD	
CC[C@H](CSC)NC(=O)NNC(=O)Cc1ccc(F)cc1	181485655	NRTALZWWYNDOJU-GFCCVEGCSA-N	313.398	1.840	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNc1ncnc2nc[nH]c12	133512339	ZWGZAIIJDQUYIK-UHFFFAOYSA-N	315.337	1.152	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NN(C)C(N)=O	181072338	JYKVKFSMMYHKPE-ZCFIWIBFSA-N	306.149	1.802	50	20	DDGD	
Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)NNC(=O)CO	186582645	IWBVJDRZJAJEDU-LBPRGKRZSA-N	320.393	1.519	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1c[nH]nc1-c1ccccc1	181405416	ZTWOUSQREIINQK-UHFFFAOYSA-N	322.328	1.554	50	20	DDGD	
O=C(COC[C@@H]1CCCO1)NNc1ncnc2ccsc12	132613845	PJJRBEVHDWGXNX-VIFPVBQESA-N	308.363	1.330	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1ccncc1)c1cccc(F)c1	81025025	STDKHRVJNYEABX-LLVKDONJSA-N	301.321	1.714	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)CCn2cccn2)c1	47668337	ZBTOGUOENPEZOZ-UHFFFAOYSA-N	316.361	1.116	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N2CCOCC2)nc2ccccc12	194896155	UEULYGGHUQFZTD-UHFFFAOYSA-N	314.345	1.230	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cn2ccc3ccccc32)nc1	131525418	BFJLBWCAYKKBND-UHFFFAOYSA-N	308.341	1.806	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(C)CC(=O)N(C)C)cc1	194505010	QLVIOMFLDMUOBK-GXDHUFHOSA-N	315.373	1.539	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1	89374072	PBMDDUAXJSQASZ-VIFPVBQESA-N	311.769	1.150	50	20	DDGD	
O=C(NCCc1ccc(Cl)s1)NNC(=O)c1ccc[nH]1	193353493	NXZXQNFAQOIBEU-UHFFFAOYSA-N	312.782	1.916	50	20	DDGD	
CSCCNC(=S)NNC(=O)C1(c2ccccc2)CC1	91822183	SOOFTSLVAJNXIX-UHFFFAOYSA-N	309.460	1.577	50	20	DDGD	
COc1cccc(OCC(=O)NNC(=S)N[C@@H](C)C2CC2)c1	267660960	YBAHHNHVSQPJBB-JTQLQIEISA-N	323.418	1.368	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)N2CCCCCC2)s1	264863243	OQLPQTDXOSZJIP-UHFFFAOYSA-N	317.436	1.412	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)CC(C)(C)CN	269193819	OBOIVKSVIHWOPI-UHFFFAOYSA-N	300.834	1.796	50	20	DDGD	
CCS(=O)(=O)CC(=O)NNc1ccc(OC(F)F)cc1	269630118	WRFDCYKTBWWVLV-UHFFFAOYSA-N	308.306	1.166	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@H](C)C(=O)OC(C)C)o1	268028555	LYEGMUWLFMKTCN-VIFPVBQESA-N	311.338	1.120	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C1(C)CCC1	267482523	UJMOFECEHSNXFJ-UHFFFAOYSA-N	306.362	1.802	50	20	DDGD	
O=C(NNc1cccnn1)N[C@@H]1COc2c(Cl)cccc21	363960578	HYRPQUHQRVCLPB-SNVBAGLBSA-N	305.725	1.890	50	20	DDGD	
Cn1ccnc(NNC(=O)C[C@H]2CCc3ccccc3C2)c1=O	267240062	ROGIJXUDRYBIAZ-LBPRGKRZSA-N	312.373	1.419	50	20	DDGD	
C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)/C(C#N)=C\c1ccc(O)cc1	278851226	AUHAXASSWOQWIZ-JKZUUCAMSA-N	311.385	1.898	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CC[C@@H](n2cncn2)C1	364475884	HYQLNINTKCKYQV-NXEZZACHSA-N	315.215	1.861	50	20	DDGD	
Cn1cc([C@H]2OCC[C@@H]2C(=O)NNc2ccnc(F)c2)cn1	276162300	GDBSAHVPFQRHIP-WCQYABFASA-N	305.313	1.175	50	20	DDGD	
COc1cccc([C@H](O)CNS(=O)(=O)CBr)c1	272779758	HISTYZICAUCICW-SNVBAGLBSA-N	324.196	1.000	50	20	DDGD	
O=C(NNC(=O)N1CCOC[C@@H]1c1ccco1)c1ccccc1	360985846	RZTKHGPHSVPNSE-CYBMUJFWSA-N	315.329	1.708	50	20	DDGD	
CC1CCN(c2ccc(NC(=O)CCC(=O)NN)cc2)CC1	272584075	HASTYFDIUBJPEN-UHFFFAOYSA-N	304.394	1.632	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNc1nc(C)cc(C)n1	276593665	QCLVFEOHGLZCMC-UHFFFAOYSA-N	301.350	1.952	50	20	DDGD	
CCCOc1cc(C)ccc1NC(=O)C(=O)NNC(=O)C1CC1	274053502	LRFRZQFHVCHLIZ-UHFFFAOYSA-N	319.361	1.280	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCC[C@H]2CCO[C@@H](C)C2)n1	273043157	FFRTZWHBNBKDLD-RYUDHWBXSA-N	323.397	1.625	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CC(C)(F)F	277451869	XLQKYZSGMOJHHT-ZETCQYMHSA-N	309.313	1.092	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H](C)[C@@H]2CCCCO2)n1	272013659	QPDRQHRFUZEPPI-QWRGUYRKSA-N	309.370	1.377	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1cccnc1OCC(F)F	272854477	QUZIWXMURMCHPO-UHFFFAOYSA-N	314.292	1.678	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNC(=O)Cc1nc2ccccc2n1C	285116825	VFEYTSVBHNWLRR-MRXNPFEDSA-N	313.361	1.203	50	20	DDGD	
CC1(CCNC(=O)NNC(=O)COc2ccc(C#N)cc2)CC1	280181276	CXYVHEDPWRNELR-UHFFFAOYSA-N	316.361	1.458	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNC(=O)CCc1ccc(OC)cc1	289848869	CCTFNMAKYDWDRH-INIZCTEOSA-N	306.362	1.102	50	20	DDGD	
CSCC(C)(C)C(=O)NNC(=O)c1c(C)nc2ccccn12	800390003	GFUYMEDIFBIOLB-UHFFFAOYSA-N	320.418	1.793	50	20	DDGD	
Cc1c(NNC(=O)c2cnn3c2CCC3)cccc1[N+](=O)[O-]	295582578	WYVMMLSMJJQRRK-UHFFFAOYSA-N	301.306	1.803	50	20	DDGD	
C[C@@H](CO[C@H]1CCOC1)NC(=O)NNc1cccc(Cl)n1	292969103	ICCURUJDRIASLA-UWVGGRQHSA-N	314.773	1.555	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NNc2ncncc2F)C1	293916885	GSGJFLYBWSVSID-GHMZBOCLSA-N	323.372	1.344	50	20	DDGD	
COCCC1(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)CC1	802096695	AQEPNVOYYKTBDH-UHFFFAOYSA-N	321.333	1.385	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)Nc2ccc(OC)cc2)n[nH]1	802064828	CJJBAPSIMJMXIR-UHFFFAOYSA-N	317.349	1.837	50	20	DDGD	
O=C(NC[C@H]1CCCS1)NNc1ccc(-n2ccnc2)nn1	805196984	UEDKMPGCGZYLMP-SNVBAGLBSA-N	319.394	1.184	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc(Br)cc1O	294219633	QQQZKLUQWCUABI-UHFFFAOYSA-N	313.151	1.716	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(=O)c2ccc(F)cc2o1	803074759	HVJRJFVNJAMWCL-UHFFFAOYSA-N	307.281	1.238	50	20	DDGD	
C[C@@H](C(=O)NNc1ccccc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	298133781	GFSKLHPSBBGFIM-FPMFFAJLSA-N	315.373	1.693	50	20	DDGD	
Cc1c(C(=O)NNc2ccccc2)nnn1Cc1ccncc1	802823598	WMOQTUZNPRVZSQ-UHFFFAOYSA-N	308.345	1.787	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cc(C)ncn2)cc1	802054474	PDZVBGITNHIPTG-UHFFFAOYSA-N	301.306	1.260	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc(C2CC2)nn1-c1ccccc1	299384381	PDNFNZLOYYCLOT-UHFFFAOYSA-N	313.361	1.666	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNC(=O)CC(C)C)nc1C	298457519	XYMQGJXHEVEDPU-UHFFFAOYSA-N	307.350	1.374	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NNc2cccc(F)n2)cc1	805028268	ZZMPPISOOIDOES-UHFFFAOYSA-N	314.280	1.063	50	20	DDGD	
CC[C@@H](C)CC[C@H](O)CC(=O)NNC(=O)N=c1cc[nH]cc1	802025723	DRRGQMKOUZERJE-YPMHNXCESA-N	308.382	1.234	50	20	DDGD	
Cc1cnn(CCC(=O)NNC(=O)Nc2cc(F)cc(F)c2)c1	801999896	DVEPUXTZWTYNLA-UHFFFAOYSA-N	323.303	1.713	50	20	DDGD	
O=C(NNc1ncncc1F)c1cccnc1Br	817081428	FAZGMYBZFAZGHS-UHFFFAOYSA-N	312.102	1.530	50	20	DDGD	
Cn1c(NNC(=O)COc2ccccc2C#N)nc2ccccc21	816577307	GDXKTKKMGHABKQ-UHFFFAOYSA-N	321.340	1.967	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@H](C)n2cccn2)c1F	819559505	NYVRRSBISDGHGB-JTQLQIEISA-N	320.324	1.903	50	20	DDGD	
COC(=O)c1ccc(Cl)c(C(=O)NN=c2cc[nH]cc2)c1	810971423	YLSJDVIDEIGNFU-UHFFFAOYSA-N	305.721	1.700	50	20	DDGD	
CCOc1ccc(C(=O)NN=C(C)c2cnnn2C)cc1OC	814754462	IYDMJFZKSIPBNH-UHFFFAOYSA-N	317.349	1.376	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)c1ccc(Cl)cc1F)OC	811968566	JZDYRJANBXPHQD-VIFPVBQESA-N	317.748	1.848	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@](C)(O)c1ccc(Cl)cc1	814718003	FKXJHZUPIPFXJD-CYBMUJFWSA-N	313.810	1.229	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)COCc1ccccc1)n1cccn1	819303052	TTXWHWXMSVDSAH-ZDUSSCGKSA-N	316.361	1.198	50	20	DDGD	
COc1cc(C=NNC(=O)CC2CC2)ccc1OCCC(=O)O	814986497	HYTUUHDPRKRPJB-UHFFFAOYSA-N	320.345	1.799	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1CCN(CC(C)(C)O)CC1	814214867	HSBUGKMLFWHPSL-UHFFFAOYSA-N	312.458	1.057	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@@H]1CCN(C)C1=O	813079487	MMPHACBMDLYRNP-CYBMUJFWSA-N	304.394	1.975	50	20	DDGD	
Cc1cc(F)c(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)c(F)c1	819803531	QWDWDVLZGZAPDV-VIFPVBQESA-N	316.329	1.158	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NOC/C=C\Cl	811883974	YEXSIBLZRJLAGH-DAXSKMNVSA-N	313.741	1.218	50	20	DDGD	
O=C(NNc1ncncc1F)c1cc(Cl)ccc1[N+](=O)[O-]	817077991	QGNLTMFJPKBLCU-UHFFFAOYSA-N	311.660	1.934	50	20	DDGD	
CO[C@@H]1CCC[C@H](C(=O)NNC(=O)c2ccc(C)cc2O)C1	814406570	CDWFCMGMDPAGIQ-NWDGAFQWSA-N	306.362	1.667	50	20	DDGD	
O=C(NCC1Cc2ccccc2C1)NNc1ncncc1F	814304473	MAXVPBDWIYKBQJ-UHFFFAOYSA-N	301.325	1.657	50	20	DDGD	
O=C(Cc1ccccc1F)NN=Cc1cnn(CC(F)F)c1	814221582	FVAULGQYXFXGEI-UHFFFAOYSA-N	310.279	1.980	50	20	DDGD	
CCn1nc(C(=O)NN=C[C@H]2CCOC2)c2ccccc2c1=O	812423915	ZPVVGONTSCNEMQ-LLVKDONJSA-N	314.345	1.169	50	20	DDGD	
CCC(Cc1ccccc1)=NNC(=O)[C@@H](C)NS(C)(=O)=O	728436976	KYHJZQPJWJEEDL-LLVKDONJSA-N	311.407	1.049	50	20	DDGD	
COC(=O)c1cc(NNC(=O)N[C@@H]2CO[C@H](C)C2)ccc1F	828441132	YLNXKEREOAUFFM-SCZZXKLOSA-N	311.313	1.416	50	20	DDGD	
CCOC(=O)NNC(=O)c1c(CC)nc2ccc(Cl)cn12	496245774	LIIQDVQKMAFGLO-UHFFFAOYSA-N	310.741	1.941	50	20	DDGD	
COCc1nc(C(=O)NNC(=S)NCC2CCC2)cs1	727865412	OMCIRYSQLUZXLA-UHFFFAOYSA-N	314.436	1.199	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)NCCCO)c1C	490562723	DBIFZQMBWKVKMH-XNTDXEJSSA-N	305.378	1.157	50	20	DDGD	
CCO[C@@H](CCNC(=O)/C(C#N)=C\c1cnn(C)c1)C(C)C	491105377	QBTMMULYFGHQJX-OWTLUSIOSA-N	304.394	1.894	50	20	DDGD	
Cc1cccn2cc(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)cc12	823473224	AZIHREMXVSTASC-DGCLKSJQSA-N	301.346	1.434	50	20	DDGD	
CC(C)CCOc1ccc(NC(=O)NNc2cnccn2)nn1	825519977	PRTXPXPVTJBJFA-UHFFFAOYSA-N	317.353	1.840	50	20	DDGD	
Cc1ccc(Cl)c(O[C@@H](C)C(=O)NN(C)[C@H](C)CO)c1	823971216	QSFJASFNBMMRRT-MNOVXSKESA-N	300.786	1.760	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2cccnc2N2CCCC2)cn1	822522652	FTCBLNINKHCCER-NTEUORMPSA-N	322.372	1.961	50	20	DDGD	
CCC1CCC(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CC1	825963459	CSOXIVPTIMDMHI-RYSNWHEDSA-N	311.426	1.958	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)NCCSSC)C2	496221641	ATUWVXDGUYSNCD-AXFHLTTASA-N	316.448	1.757	50	20	DDGD	
O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)c1ccc(B(O)O)cc1	584981545	YSLIQHFZVXJRFB-FUHWJXTLSA-N	323.201	1.823	50	20	DDGD	
Cc1n[nH]c(C)c1CCNC(=O)[C@@]1(C)C[C@H]1Br	909287951	LDXBAHMFWGZOHE-PWSUYJOCSA-N	300.200	1.859	50	20	DDGD	
O=C(O)Nc1ccc(C(=O)NNc2nccnc2Cl)cc1	738661433	UGMIIQHZEVYEQA-UHFFFAOYSA-N	307.697	1.977	50	20	DDGD	
Cc1ccc(CCCNC(=O)c2cccc(B(O)O)c2)c(C)c1	584925223	FHPBUOKGRRGLFE-UHFFFAOYSA-N	311.190	1.346	50	20	DDGD	
OB(O)c1ccc(CNC[C@H]2CCCO[C@H]2c2ccccc2)o1	585018612	NFUWZMCJYDTNOV-PBHICJAKSA-N	315.178	1.217	50	20	DDGD	
C=CCc1cc(C=NNC(=O)c2cnn(C)c2)cc(OC)c1O	735413893	UMIJXELYBNKAPO-UHFFFAOYSA-N	314.345	1.627	50	20	DDGD	
Cc1sc(CNCc2ccccc2B(O)O)nc1C(C)C	585019691	FYFHRZVZZQLXHT-UHFFFAOYSA-N	304.224	1.545	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@]2(C)CCCCO2)cc1	837315466	ZXQGBECSWPHPLO-INIZCTEOSA-N	319.361	1.040	50	20	DDGD	
CCOC(=O)N1CCN(C(=O)[C@]2(C)C[C@H]2Br)CC1	905062501	VLHOTKNOHRVYPG-BXKDBHETSA-N	319.199	1.461	50	20	DDGD	
OB(O)c1cccc(CN[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)c1	585039257	PUCQYAJOAHPGEX-WJYNOGRTSA-N	317.144	1.680	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@H]2CCSC2)cc1	836331801	OYDMZEJGUMMRMJ-JTQLQIEISA-N	310.379	1.536	50	20	DDGD	
COCCCCc1cccnc1NCc1cccc(B(O)O)c1	585042355	BCOZNDKGWGYOKA-UHFFFAOYSA-N	314.194	1.343	50	20	DDGD	
COC(=O)N1CCC[C@H](NC(=O)[C@@]2(C)C[C@@H]2Br)C1	906511271	ULZUPYRXHWHOGX-AUTRQRHGSA-N	319.199	1.507	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1ccc(C(=O)OC)cc1F	901416222	AMWVXLXGQIEPPI-KPKJPENVSA-N	307.277	1.709	50	20	DDGD	
COc1ccccc1C/C(C)=C/C(=O)NNC(=O)NC(C)C	730215392	ZASUSUJZRYYUFK-ZRDIBKRKSA-N	305.378	1.923	50	20	DDGD	
CCOC(=O)CC(C)(C)CC(=O)NNC(=O)[C@H]1CCCCO1	833235330	BDWONJJSIDLFQS-LLVKDONJSA-N	314.382	1.072	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc(C(=O)O)s1	738115036	HDECQVYWUJYQAW-UHFFFAOYSA-N	320.326	1.530	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)C[C@@H]1OCCc2ccccc21	732198891	HWUKELHYNAILOC-DOMZBBRYSA-N	319.405	1.178	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)CCc1ccc(C(=O)O)cc1	736251125	PXJXJBRCZIQRIM-UHFFFAOYSA-N	306.362	1.901	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@H]1CCCC(=O)N1C)c1ccccc1	906643956	YMNHAQRZDSEBHX-ZIAGYGMSSA-N	317.389	1.339	50	20	DDGD	
CCn1cc(C=NNC(=O)Cc2ccccc2OC)c(C)n1	901170159	JMQFSEJEMQXAJJ-UHFFFAOYSA-N	300.362	1.913	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H]2C[C@H](C)n3ccnc32)n1	836630228	ZFEAJARAGLKVDG-UWVGGRQHSA-N	302.338	1.619	50	20	DDGD	
O=S(=O)(CCl)NCCCc1ccc2c(c1)OCCO2	830856312	WHGUJCFBBNLBRQ-UHFFFAOYSA-N	305.783	1.506	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(COc2ccccc2F)on1	910160257	MNUZJAHHPVNQDT-JTQLQIEISA-N	323.324	1.350	50	20	DDGD	
CC(C)(O)C(C)(C)CNC(=O)NNC(=O)c1ccccc1O	838718776	DSXZGSCXUVUYIR-UHFFFAOYSA-N	309.366	1.133	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)C[C@@H]1CCCCC1(F)F	831125563	DVDNHZTYVBRIQD-VIFPVBQESA-N	313.370	1.308	50	20	DDGD	
Cc1cnc(Cl)c(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	831711531	RUFWNWYOTDPKGG-RKDXNWHRSA-N	312.757	1.621	50	20	DDGD	
CCCc1c(C(=O)NN(C)C[C@@H](C)O)cnn1C1CCCC1	910152741	UJPWUHQFYOWEBE-GFCCVEGCSA-N	308.426	1.908	50	20	DDGD	
CCc1c(C(=O)NN(C)C[C@@H](C)O)cnn1-c1ccc(C)cc1	910173613	NYGJUJVGUZCKMV-CYBMUJFWSA-N	316.405	1.701	50	20	DDGD	
CC(C)(C)OC(=O)[C@@]1(C(=O)NNc2cccnn2)CC1(C)C	832043403	FWEYTTZEHZQHQY-HNNXBMFYSA-N	306.366	1.678	50	20	DDGD	
COc1cc(C(N)=O)ccc1NS(=O)(=O)CCCCCl	830195393	XMFDDILBICBGKJ-UHFFFAOYSA-N	320.798	1.555	50	20	DDGD	
CCCCO[C@@H]1C[C@H](NC(=O)NNC(=O)COCC)C1(C)C	748970809	OIRUMXQHHZKGMB-NWDGAFQWSA-N	315.414	1.337	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCc1ccccc1Br	910170048	IWGYAEOBNLZNJA-JTQLQIEISA-N	315.211	1.726	50	20	DDGD	
COC[C@H](C)OC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])c(O)c1	748147636	IJVYQLVFLWUXGY-BVBCSLMJSA-N	306.274	1.785	50	20	DDGD	
CC(CCN(C)C)=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1	915954798	MAGDCINAKSKWSV-YUELXQCFSA-N	312.458	1.176	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)Cn1cnc2ccccc21	749756454	IYBKCSLKNPAEDW-SNVBAGLBSA-N	305.407	1.330	50	20	DDGD	
Cc1cncc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1	742502373	GUTJJQQXKJYHQW-UHFFFAOYSA-N	313.313	1.236	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1ccc2c(c1)CNCCO2	841332096	OHSOFMZRGQKDQI-UHFFFAOYSA-N	318.377	1.512	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@@H]2C[C@@H](C)O[C@@H]2C)n1	840431667	CNDKEUGMYRDUGB-MXWKQRLJSA-N	309.370	1.233	50	20	DDGD	
CC(=O)NN=C(C)c1ccc(OCC(=O)N2CCCC2)cc1	916267168	HWSQLSALUUCBSQ-UHFFFAOYSA-N	303.362	1.548	50	20	DDGD	
CCC(N)(CC)CNC(=O)NNc1cccc(C(=O)OC)c1	841951242	GJNGDCQDPYJTJO-UHFFFAOYSA-N	308.382	1.617	50	20	DDGD	
COC(=O)CCc1ccccc1C(=O)NN[C@H](C)C(F)(F)F	912898831	RPMOBLHXYDFGHR-SECBINFHSA-N	318.295	1.977	50	20	DDGD	
Cc1nn(C)c2ncc(C=NNC(=O)[C@@H]3CCO[C@@H]3C)cc12	842559662	WVMJRHXIRYSNNM-ZYHUDNBSSA-N	301.350	1.152	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cccc(-c2cnn(C)c2)c1	741690918	XOXHTJYCXUGRNB-UHFFFAOYSA-N	324.344	1.193	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)C(=O)N2CCCC2)cc1OC	748137521	KPWPKQAITAHNPO-UHFFFAOYSA-N	319.361	1.166	50	20	DDGD	
NC[C@H](NC(=O)NNc1nc2ccccn2n1)C1CCCCC1	841940177	PDFJSXJJTQQEEY-LBPRGKRZSA-N	317.397	1.263	50	20	DDGD	
N#CC1=CCN(Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC1	844313344	MLBAHVIJOBYWIZ-UHFFFAOYSA-N	311.794	1.643	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2c(C)cnn2C)c1	840237622	NYFDAXXZRQVGOY-UHFFFAOYSA-N	316.361	1.185	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@H]1CCC[C@@H](N)C1	841983821	XMZUZWJIUJBLFH-KGLIPLIRSA-N	304.394	1.138	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)Nc2ccc(C(=O)O)cc2)[C@H]1OC	841625904	MHNGIRUZRHXWNR-CHWSQXEVSA-N	321.333	1.686	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2CCCN3CCCC[C@H]23)n1	848402755	KEVNJOGBXIXRAL-OAHLLOKOSA-N	303.410	1.620	50	20	DDGD	
COCC1(CC(=O)NNC(=O)COc2ccccc2OC)CC1	843751824	DGBZKNAPPMJWRI-UHFFFAOYSA-N	322.361	1.038	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1ccc(F)cc1OC(F)F	748074926	CPRJUFNCCUGZHM-UHFFFAOYSA-N	303.284	1.829	50	20	DDGD	
C[C@H]1CCCc2ncc(C(=O)NNC(=O)N=c3cc[nH]cc3)n21	846093869	HXINOBSQSFTFAM-JTQLQIEISA-N	314.349	1.064	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1cnc2ncccn12	755662103	WMWXBOMBRZFOLX-UHFFFAOYSA-N	309.329	1.431	50	20	DDGD	
Cc1ccc(/C=C\C(=O)NNC(=S)N[C@@H](C)C2CC2)cn1	855098021	ABTKIJOGGRNYGJ-OFSNVTPPSA-N	304.419	1.697	50	20	DDGD	
C=CCCSCCNC(=O)NNC(=O)c1cccc(C#N)c1	852056332	FRGLUIMMWROOEX-UHFFFAOYSA-N	318.402	1.812	50	20	DDGD	
C#CC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl	753887317	YOCKTVSNQYOIHC-UHFFFAOYSA-N	315.156	1.933	50	20	DDGD	
O=C(O)[C@H](C(=O)NNc1ccccc1[N+](=O)[O-])C1CCCC1	852946008	LPDDCYLLKUHWKZ-LBPRGKRZSA-N	307.306	1.929	50	20	DDGD	
CC(C)CSCCNC(=O)NNC(=O)c1cccc(F)n1	852227748	HQQSHXKNSQPQKO-UHFFFAOYSA-N	314.386	1.554	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1cc[nH]n1)c1cccc(Cl)c1	755279483	MZDQDEVYNFFXAY-VIFPVBQESA-N	306.753	1.557	50	20	DDGD	
COC[C@@H](C)Oc1ccc(C=NNC(=O)c2cnccn2)cc1	853287432	XFTALQAEHWQVGD-GFCCVEGCSA-N	314.345	1.654	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cnc2n1[C@H](C)CCC2)C1CC1	855095781	OSEHGTSXRJWGCL-NXEZZACHSA-N	321.450	1.688	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)CCCCC#N)C[C@H]1Br	856757693	ZCFKIVLUCUXSAY-ZJUUUORDSA-N	309.229	1.773	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCCN1CCCC1=O	754547712	VQPLSFVDRLPTDZ-RAXLEYEMSA-N	300.314	1.465	50	20	DDGD	
Cn1cncc1C=NNC(=O)c1nn(-c2ccccc2)cc1O	755575206	DUQKJEBJSJHJDI-UHFFFAOYSA-N	310.317	1.075	50	20	DDGD	
N#CSCCCNC(=O)Cc1csc(-c2nc[nH]n2)n1	854362198	FPWQXEWYKGYMCR-UHFFFAOYSA-N	308.392	1.191	50	20	DDGD	
Cn1c(O)nc2cc(C(=O)NNC(=O)C3CCCC3)ccc21	920286412	KGYIUXNEUOJPKO-UHFFFAOYSA-N	302.334	1.230	50	20	DDGD	
NC(=O)c1c[nH]c(C(=O)OC[C@@H](CBr)C2CC2)c1	859580341	MWQRXYIHEKUYAG-SECBINFHSA-N	315.167	1.692	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2CCc3nncn3C2)C[C@@H]1Br	857386969	BIXHPJAZBJAKTP-HOTUBEGUSA-N	313.199	1.130	50	20	DDGD	
CO[C@H](C=NNC(=O)COc1ccccc1[N+](=O)[O-])C1CC1	853272375	QVHWSTZSWNNSSX-CYBMUJFWSA-N	307.306	1.501	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H](C)CCN(C)C)c1C	853543349	VPOLTYSLMDGCNB-NSHDSACASA-N	322.409	1.748	50	20	DDGD	
CN1CC[C@]2(CCCN(C(=O)/C(C#N)=C/c3cnn(C)c3)C2)C1	854734818	DMVDWUCCRMUDLW-YBYKNVHQSA-N	313.405	1.271	50	20	DDGD	
O=S(=O)(CBr)N1CCCC[C@H]1[C@H]1CCCN1	850588369	COBWSORMLJZYKD-ZJUUUORDSA-N	311.245	1.275	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H](C(=O)NNC(=O)c2cccc(F)n2)C1(C)C	856426645	CUSFGHIARZLNNJ-UWVGGRQHSA-N	321.352	1.623	50	20	DDGD	
COc1ccc(Cl)cc1NC(=O)NNC(=O)c1c[nH]nc1C	755347691	GSDNVYZYOWSVFX-UHFFFAOYSA-N	323.740	1.847	50	20	DDGD	
Cc1csc(CCCCNC(=O)NNC(=O)c2cn[nH]c2)n1	858182952	NTBQNRWMEXEULD-UHFFFAOYSA-N	322.394	1.142	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1noc2c1CCCCC2)C1CC1	855100227	XLQAIRVEKMIOET-VIFPVBQESA-N	322.434	1.851	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]32)c1	857149174	PWGAJWHALCVLJY-XQQFMLRXSA-N	302.378	1.528	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cnn(C(C)C)c1N	757715649	PELGNLOODCXHIL-UHFFFAOYSA-N	301.350	1.429	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H](C)Cc2cccc(F)c2)n[nH]1	869012092	FXMYALYCZCARAQ-JTQLQIEISA-N	318.352	1.426	50	20	DDGD	
CCc1nc2cc(NC(=O)C(=O)NNC(=O)C(C)C)ccc2o1	763817707	UMFQAEMGYPYCKF-UHFFFAOYSA-N	318.333	1.132	50	20	DDGD	
COC(=O)C1(C(=O)NNC(=O)c2ccc3ccccc3c2)CC1	767033192	PIBLADOYNSDOMA-UHFFFAOYSA-N	312.325	1.554	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)NNC(=O)c1cn[nH]c1)C(F)(F)F	861021551	FJMZWOAOZAHVRO-XPUUQOCRSA-N	307.276	1.331	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNc1ccccc1C(=O)OC	935243879	ZDAVNFQWZUHIJG-GHMZBOCLSA-N	306.318	1.116	50	20	DDGD	
CCN(C)C(=O)c1cccc(NCc2ccc(B(O)O)cc2)c1	864038364	PBVJPIQSLQQNFI-UHFFFAOYSA-N	312.178	1.070	50	20	DDGD	
Cc1nn(C)cc1[C@H](C)NS(=O)(=O)CC(C)(C)CCl	866721506	NKXIGPNTUNWPGA-JTQLQIEISA-N	307.847	1.974	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C=NNC(=O)c1cn[nH]c1	863152032	DUBVHELPRLTWLU-CMPLNLGQSA-N	302.338	1.027	50	20	DDGD	
CCS(=O)(=O)c1cccc(C(=O)NN[C@@H](C)C(F)(F)F)c1	862315522	DBKUWJMUPOEZEB-QMMMGPOBSA-N	324.324	1.665	50	20	DDGD	
C[C@@]1(CCNC(=O)c2ccc(B(O)O)cc2)CC1(Cl)Cl	863885687	NSMOTMDCJXNYLN-GFCCVEGCSA-N	315.993	1.070	50	20	DDGD	
O=Cc1cc(C(=O)NNCC(F)(F)C(F)(F)F)cs1	863096538	LRIOJEBZOMYVEW-UHFFFAOYSA-N	302.224	1.993	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCOCC2)s1)c1cn[nH]c1	863156273	UCLDEYIQORXMFI-UHFFFAOYSA-N	305.363	1.072	50	20	DDGD	
CC(C)[C@H](NC=O)C(=O)NNc1ccccc1Br	860314529	SMVSWTFRZYLHPO-NSHDSACASA-N	314.183	1.663	50	20	DDGD	
Cc1cc(=NNC(=O)c2cnc(C3(C)OCCO3)s2)cc[nH]1	862515484	TVCVHBACSJCNMY-UHFFFAOYSA-N	320.374	1.245	50	20	DDGD	
C[C@H](O)CN(CC(F)F)S(=O)(=O)CC(C)(C)CCl	867361167	NJAVOHSLEQVQJJ-QMMMGPOBSA-N	307.790	1.529	50	20	DDGD	
COc1ccc([C@H](C)CC(=O)NNC(=O)c2cn[nH]c2)cc1	862472717	RVQQFXFAPDTBJZ-SNVBAGLBSA-N	302.334	1.373	50	20	DDGD	
Cc1oc(-c2cnn(C)c2)nc1C(=O)NN[C@H](C)C(F)(F)F	862312060	ZOHATOVWBRLMFQ-SSDOTTSWSA-N	317.271	1.569	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cn(C3CC3)nn2)cc1F	861926437	PYGBTAXHIGDVAG-UHFFFAOYSA-N	319.296	1.296	50	20	DDGD	
CC[C@@H]1CO[C@@H](C)CN1CC(=O)NNC(=O)c1ccc(C)cc1	762274462	ZPZUQUUHTYKEHN-DZGCQCFKSA-N	319.405	1.255	50	20	DDGD	
Cc1csc(CC(=O)NN=C2CCCc3nc(O)ccc32)n1	764669589	WYVKIRWDGCHRGR-UHFFFAOYSA-N	316.386	1.951	50	20	DDGD	
O=C(COCc1ccncc1)NNc1cnc2ccccc2n1	1117670186	YXHRJDSSJIQGAN-UHFFFAOYSA-N	309.329	1.685	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1cccc(F)c1F	776260029	VHNFZJIVYJJIBH-UHFFFAOYSA-N	322.271	1.249	50	20	DDGD	
O=C(NNc1cncc(Br)c1)c1cn(C2CC2)nn1	1118908302	VGKICJVTIQTOQX-UHFFFAOYSA-N	323.154	1.527	50	20	DDGD	
C[C@H](NC(=O)NNc1cccnn1)c1ccc(N(C)C)cc1	773609556	DIIUKVNUHBTEPB-NSHDSACASA-N	300.366	1.930	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=S)Nc2cccc(C)c2)CC1	873775634	NHBLADUPRJVDNA-UHFFFAOYSA-N	321.402	1.656	50	20	DDGD	
COc1cc(C=NNC(=O)CO)ccc1OCC(F)(F)F	776780735	NSDHMVFUFFYWNT-UHFFFAOYSA-N	306.240	1.079	50	20	DDGD	
Cc1cc(C=NNC(=O)CCNC(=O)OC(C)(C)C)ncn1	1117697660	KKWYQNCSOXNOQE-UHFFFAOYSA-N	307.354	1.150	50	20	DDGD	
Cn1ccc(NNC(=O)[C@H]2CCN(C(=O)c3ccccc3)C2)n1	1118972191	XVVHWCZJAIVZHN-ZDUSSCGKSA-N	313.361	1.026	50	20	DDGD	
Nc1cc(C(=O)NN=Cc2ccc(F)nc2)cc([N+](=O)[O-])c1	777426505	BBDWNOMWUVTWNF-UHFFFAOYSA-N	303.253	1.475	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1CCOc2ccc(OC)cc21	875500287	RXJHGCXVKAMMPS-NSHDSACASA-N	309.322	1.431	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NNC(=S)Nc1ccccn1	874956284	RXHUQSMENLKMGR-UWVGGRQHSA-N	306.391	1.405	50	20	DDGD	
COc1ccccc1C(=O)NN=Cc1ccc(O)c(C(=O)O)c1	777437529	QSJIJPIHTPOCAS-UHFFFAOYSA-N	314.297	1.863	50	20	DDGD	
CO[C@@H]1C[C@@H](NC(=O)NNc2ccc(C#N)cn2)C12CCC2	889228514	RZIQQPVHHUZKAA-VXGBXAGGSA-N	301.350	1.537	50	20	DDGD	
O=C(NNc1ccccn1)c1cccc(N2C(=O)CCC2=O)c1	777470457	UGASCQDRLVKGBG-UHFFFAOYSA-N	310.313	1.492	50	20	DDGD	
C[C@@H](NC(=O)CC(C)(C)C)C(=O)NNC(=O)CC(F)(F)F	779377713	BAFGFKZJVMIHLP-SSDOTTSWSA-N	311.304	1.027	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(CC2CC2)CC2CC2)c1	777615864	OGDQYZOJYMGTHQ-UHFFFAOYSA-N	315.417	1.878	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@H](OC)C(C)C)nc1C	771449793	WTHJTLTZEHHGPZ-LLVKDONJSA-N	310.354	1.076	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NOC2CCCCC2)c1	777509595	XTPFLLDZSXCQOE-UHFFFAOYSA-N	302.334	1.767	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2CCN(C3CC3)CC2)cc1O	882049967	KQYGIFSMZSROJW-UHFFFAOYSA-N	317.389	1.336	50	20	DDGD	
Cc1ccc(C)c(SCC(=O)NNC(=O)C2CCOCC2)c1	883060782	XDORCHZIKJYXNH-UHFFFAOYSA-N	322.430	1.970	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@H](c1ccccc1)c1ncc[nH]1	887149319	REGPNGAPQSFHOG-OAHLLOKOSA-N	324.384	1.883	50	20	DDGD	
CC(C)[C@@H](F)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	784111091	GJCGMAHCQSZJOQ-CYBMUJFWSA-N	304.325	1.627	50	20	DDGD	
CCNC(=O)NNC(=O)CCCSc1ccc(OC)cc1	780469727	GSFPWWLFWYCMIP-UHFFFAOYSA-N	311.407	1.918	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCC(=O)c2ccccc21	786115548	VAFBIQCEWGCZME-GFCCVEGCSA-N	312.329	1.239	50	20	DDGD	
CCC[C@@H](CCCS(C)(=O)=O)C(=O)NNC(=O)C1CCC1	789942344	OZOHHJQWXQNYBX-NSHDSACASA-N	318.439	1.175	50	20	DDGD	
CC(=O)NNC(=O)c1ccc(CCNC(=O)OC(C)(C)C)cc1	1123573180	LSSZRWPIXQUBIW-UHFFFAOYSA-N	321.377	1.535	50	20	DDGD	
CCn1cccc(CNC(=O)NNc2nc(C)cc(C)n2)c1=O	789298557	UFJKEIJCSGXLMH-UHFFFAOYSA-N	316.365	1.101	50	20	DDGD	
COc1cccc(CC(C)=NNC(=O)NCC(F)(F)F)n1	782902103	WCHBMPMBPOBKFL-UHFFFAOYSA-N	304.272	1.870	50	20	DDGD	
N#C/C(=C/c1ccccc1)C(=O)OCC(=O)NCC(F)(F)F	785345721	RQLNCXTWJQXOSH-WDZFZDKYSA-N	312.247	1.815	50	20	DDGD	
O=C(NN=C1CCOc2ccc(Cl)cc21)N1CCOCC1	783837938	RJWQRNUJCWHOQG-UHFFFAOYSA-N	309.753	1.868	50	20	DDGD	
CCN(C[C@@H](O)C(F)(F)F)S(=O)(=O)CCCCCl	780853616	FADOMORRVCLBQC-MRVPVSSYSA-N	311.753	1.580	50	20	DDGD	
C[C@H]1CC[C@@H](NC(=O)NNC(=O)COc2ccc(C#N)cc2)C1	780799609	ISPZORRMRZPKBU-WCQYABFASA-N	316.361	1.456	50	20	DDGD	
C[C@@H]1CCCN1CCNC(=O)NC[C@@]1(C)C[C@H]1Br	895921119	BBEZSXCEAAAFOA-NQBHXWOUSA-N	318.259	1.943	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccnn1CC(F)F	789993964	LXFXEPMAJLAJJW-UHFFFAOYSA-N	311.248	1.813	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CSCc1cccnc1	899992043	KYGXCGBSNXMGLJ-UHFFFAOYSA-N	312.464	1.609	50	20	DDGD	
Cn1cnc(CNC(=O)NC[C@@]2(C)C[C@H]2Br)c1	895922275	IZALBAXXGYUATM-MWLCHTKSSA-N	301.188	1.393	50	20	DDGD	
O=C(NNC(=O)[C@@H]1Cc2ccc(F)cc21)c1ccc(Cl)nc1	793087937	KMSSTHXWZBMGMZ-GFCCVEGCSA-N	319.723	1.975	50	20	DDGD	
COc1cccc(C=NNC(=O)[C@H](C)CN2CCC(C)CC2)n1	790148609	BMRMGIFNIXCTQW-CQSZACIVSA-N	318.421	1.908	50	20	DDGD	
COC(=O)C[C@@H]1CCC(=NNC(=O)Cc2cccnc2)[C@@H]1C	794508745	RPXKSAORECSMSO-YPMHNXCESA-N	303.362	1.706	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc2ccn(C)c(=O)c2c1	794385490	AGVFGTZLGFRAME-UHFFFAOYSA-N	317.349	1.236	50	20	DDGD	
COC(=O)Cc1cccc(NC(=O)NNc2ccccc2)n1	792406380	JIKFORDLFLRSLJ-UHFFFAOYSA-N	300.318	1.946	50	20	DDGD	
COc1cc(/C=C(/C#N)S(=O)(=O)N(C)C)ccc1OCC#N	794957974	JSMCNBWKQVMYQH-WQLSENKSSA-N	321.358	1.353	50	20	DDGD	
Cc1cc[nH]c1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	797792579	ZAGVNNMDVIAXRZ-JTQLQIEISA-N	305.309	1.691	50	20	DDGD	
O=C(NN=C1CCSc2ccccc21)[C@@H]1CCS(=O)(=O)C1	18911453	RVKRLBKXGUTTLJ-SNVBAGLBSA-N	324.427	1.437	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(CO)cc2)cc1	1317705046	SJHOIRATIITWTL-UHFFFAOYSA-N	300.314	1.262	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H](C)[C@H](OC)C2CC2)cc1	1325485558	QAGAWSANBJDGIB-YGRLFVJLSA-N	321.377	1.453	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CNCCC2(F)F)C[C@H]1Br	1331343465	IADOXDASWIEVME-QXFUBDJGSA-N	311.170	1.521	50	20	DDGD	
Cc1conc1NC(=O)NNC(=O)c1ccc2c(c1)OCO2	1337814087	DLEKQITXJAEASM-UHFFFAOYSA-N	304.262	1.178	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccc(C(F)(F)F)c(F)c1	1335172448	XMSBKMLJXUDJDL-UHFFFAOYSA-N	309.219	1.380	50	20	DDGD	
Nc1cnnc(NNC(=O)C2SCCCS2)c1Cl	1331434574	NXCJPRZLDKAZPH-UHFFFAOYSA-N	305.816	1.352	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1CCOc2cc(OC)ccc21	1332976568	QZDOVORCCNVIMF-NSHDSACASA-N	309.322	1.431	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc(C(C)C)nc2)nc1	1262703290	CGORBYUWJUGQFG-UHFFFAOYSA-N	313.361	1.990	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2noc3c2COCC3)n1	1348052594	RRDPUQRPEQVSRM-UHFFFAOYSA-N	309.713	1.256	50	20	DDGD	
O=C(NNc1ccccn1)NC1CCN(c2ccncc2)CC1	1341822685	CRINIEACYXUHOK-UHFFFAOYSA-N	312.377	1.772	50	20	DDGD	
COC[C@H](C)OC(=O)/C(C#N)=C\c1ccc(-c2nn[nH]n2)cc1	1605052313	KDIRHOKURNDPNE-BNDQCTAISA-N	313.317	1.352	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1ccc(C(=O)O)cc1F)C(C)C	1603052146	GMQRVWOHSCASFL-GFCCVEGCSA-N	311.313	1.128	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)C2([C@@H]3CCCCO3)CCC2)nc1	1602382673	VPULWSUPSXNSAN-LBPRGKRZSA-N	319.361	1.962	50	20	DDGD	
O=C(NN[C@H](C(=O)O)c1c(F)cccc1Cl)c1ccccn1	1601557852	XEHJGGXENAGKIQ-LBPRGKRZSA-N	323.711	1.934	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2ccccc2CC(=O)O)cn1	1600945099	FJRVOXTUJNDJEF-MLPAPPSSSA-N	310.313	1.593	50	20	DDGD	
O=C(Cc1nc(C2CC2)n[nH]1)NNc1ccc(C(=O)O)c(F)c1	1608371946	BEKMJHSIMZLIJK-UHFFFAOYSA-N	319.296	1.205	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(C(=O)O)c(F)c1)c1cnc[nH]1	1603237817	FOWVATJPUNGKRQ-UHFFFAOYSA-N	306.297	1.668	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2c[nH]nc2-c2ccccn2)nc1	1608904258	OHEGEWKSKUZQIM-UHFFFAOYSA-N	324.300	1.322	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)O)CC1)c1cc2c(s1)CCCCC2	1608476923	CCOXEWPJLZQAEP-UHFFFAOYSA-N	322.386	1.643	50	20	DDGD	
O=C(COc1ccc(F)cc1)NN=Cc1ccoc1C(=O)O	1610670995	APMJDMPCEYGXCX-UHFFFAOYSA-N	306.249	1.646	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)cc1F	1549315752	CLRVTJHHSWUQFP-WFASDCNBSA-N	321.352	1.148	50	20	DDGD	
C[C@@H]1OC(C)(C)N[C@@H]1C(=O)NNc1nc2ccncc2s1	1576895647	DJEQJHWQVWUAAX-XVKPBYJWSA-N	307.379	1.247	50	20	DDGD	
CC1(C)CNC[C@H]1NS(=O)(=O)c1ccc(CCCl)cc1	1576477097	QAJKKYHWZBBJIQ-CYBMUJFWSA-N	316.854	1.744	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNc1ccc(F)c(C(=O)O)c1	1588599222	IZYCRRWBUAHSNJ-GWCFXTLKSA-N	308.309	1.948	50	20	DDGD	
O=C(C#CC1CCNCC1)NNC(=O)c1cc2ccccc2o1	1580473724	NWTQDKCKVUGFPT-UHFFFAOYSA-N	311.341	1.197	50	20	DDGD	
CC(=O)c1ncc(C(=O)NNc2ccc(C(=O)O)cn2)s1	1589323247	WNUHUBUOLDKVDT-UHFFFAOYSA-N	306.303	1.196	50	20	DDGD	
CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)CBr	1847499956	RKQIIDYXWWSYFO-DCAQKATOSA-N	317.227	1.629	50	20	DDGD	
C=CC[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843365792	JSWMYIWIUGUPEU-QWRGUYRKSA-N	302.777	1.936	50	20	DDGD	
COc1cc(CNC[C@@H]2[C@H](C)[C@H]2Cl)ccc1-c1nn[nH]n1	1591535895	GXIKUYPMPRGEEI-RLCGTCKNSA-N	307.785	1.838	50	20	DDGD	
COc1ccc(NNC(=O)/C=C/c2cc(C(=O)O)co2)nc1	1599597125	IXRNHCRBNWRIMD-HWKANZROSA-N	303.274	1.538	50	20	DDGD	
O=C(O)CCOc1ccc(C=NNC(=O)c2cnsn2)cc1	1776105067	NHPVKENREYGJQP-UHFFFAOYSA-N	320.330	1.156	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1cc(C(=O)O)ccc1OC	1776115718	JGMBHKSYJIXTJA-WQLSENKSSA-N	305.286	1.490	50	20	DDGD	
CCN(CC(=O)NNc1nc(-c2ccccc2)no1)C1CC1	152427703	HHXKHFVHORZPMY-UHFFFAOYSA-N	301.350	1.664	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2ccc(CC(C)C)cc2)[nH]n1	153078951	XBOUQXZYPNAFOU-UHFFFAOYSA-N	314.389	1.920	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc3ccccc3c2)nn1	156503259	GXXRYZCCGDXIJF-UHFFFAOYSA-N	322.324	1.713	50	20	DDGD	
CC(C)NC(=O)C(=O)N/N=C1\C(O)=Nc2ccc(C(C)C)cc21	8217883	STPOQWDTQIXOLB-UHFFFAOYSA-N	316.361	1.757	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)CCl)CCN1C(=O)OC(C)(C)C	830691499	XBDAWXPYMUIQPT-SECBINFHSA-N	312.819	1.454	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C2CC2)c(OC)c1OC	54871101	HPPZUHUTVULHNS-UHFFFAOYSA-N	322.361	1.202	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cnc(-c2ncccn2)s1	103197042	CCVOVODSJGYTDH-UHFFFAOYSA-N	319.390	1.797	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)Cc1ccncc1)c1ccncc1	176399369	GYQGBPQTQQTZCD-CQSZACIVSA-N	313.361	1.501	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CCCOC1	170786658	FROMKDFCJVRIJG-GHMZBOCLSA-N	310.325	1.167	50	20	DDGD	
CC(=O)NNC(=O)CCc1nc(-c2ccc(C)c(F)c2)no1	58832142	ZGDKOJDRCBKDDT-UHFFFAOYSA-N	306.297	1.284	50	20	DDGD	
CC(=O)c1csc(C(=O)NNC(=O)c2ccc(C#N)cc2)c1	106758196	XBCNJDWGVRVXJV-UHFFFAOYSA-N	313.338	1.897	50	20	DDGD	
Cc1ccccc1CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	68525959	ZMMUBGZLIMBTDB-CQSZACIVSA-N	310.419	1.030	50	20	DDGD	
Cc1[nH]ncc1S(=O)(=O)NNC(=O)CCCc1ccccc1	110590019	DBKZZPGKZGQNMI-UHFFFAOYSA-N	322.390	1.051	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cc2cc(F)ccc2F)nc1	179778570	QGXKQPLETGQQHY-UHFFFAOYSA-N	321.283	1.832	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)/C=C/c1ccccc1Cl	66577098	ZSQNEPSUFKGTOR-BQYQJAHWSA-N	304.755	1.891	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCC(=O)c1ccc(OC)cc1	61431235	YHRZZPWCDVYGOR-UHFFFAOYSA-N	321.377	1.789	50	20	DDGD	
CCNC(=O)NNC(=O)c1cccc(OCc2cscn2)c1	68454637	KTBXIIIEYMKJRK-UHFFFAOYSA-N	320.374	1.686	50	20	DDGD	
CCCN(C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br)C1CC1	1347967024	JOSRJBCYTSZZLH-GWCFXTLKSA-N	317.227	1.677	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNc2nnc(C)c(O)n2)c1	23309593	NWGNLEPSKXZHPM-SNVBAGLBSA-N	303.322	1.105	50	20	DDGD	
CCOc1ccc(CC(=O)NNC(=O)NC2CCCC2)cc1	65920948	CTWFOVFRGKMCFG-UHFFFAOYSA-N	305.378	1.901	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1ccc2nccn2c1	171825224	VKEHWJUOCPRQCA-UHFFFAOYSA-N	324.340	1.434	50	20	DDGD	
NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(CCl)cc1	311520464	DZBVHZXAHFZTOR-LLVKDONJSA-N	302.783	1.064	50	20	DDGD	
Cc1[nH]c(C(=O)NNc2ncccn2)c(C)c1C(=O)OC(C)C	124017989	DNCHFWXURHIWHM-UHFFFAOYSA-N	317.349	1.744	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=O)COc1ccccc1OC	184278231	YWZTXNBXLGPMSF-UHFFFAOYSA-N	304.346	1.271	50	20	DDGD	
COc1ccc(C)cc1NC(=O)NNC(=O)c1cccn1C	182782096	FGUBOWMCGAPVRC-UHFFFAOYSA-N	302.334	1.809	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H](C)c2cnn(C)c2C)n1	181041534	AATPZUFEKUMXOO-SECBINFHSA-N	304.354	1.519	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)N(C)C)cnn1-c1ccccc1	182480830	XJQMTCTWIODVJD-UHFFFAOYSA-N	315.377	1.741	50	20	DDGD	
CC(C)c1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2CCCO2)c1	130343938	BJTFUNSXFDUVHV-DOMZBBRYSA-N	320.389	1.904	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C#Cc2ccccc2)nc1C	182725276	FHHZMEPBURHGLL-UHFFFAOYSA-N	324.340	1.457	50	20	DDGD	
CCCCC[C@@H](CC)C(=O)NNC(=O)C(=O)Nc1ccccn1	181272900	AATJNMYDLSIIBR-GFCCVEGCSA-N	320.393	1.774	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ccncc1)N1C[C@H](C)O[C@@H](C)C1	180465449	YOPLHJYMGPWTDX-YDHLFZDLSA-N	306.410	1.659	50	20	DDGD	
COCCC1(C(=O)NNc2nc3ccccc3c(=O)[nH]2)CCC1	134238906	ORWWKERLXVDCLS-UHFFFAOYSA-N	316.361	1.573	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCCOCC(F)(F)F)o1	84153050	AFVIXGSXKZYERU-UHFFFAOYSA-N	323.271	1.501	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)C(=O)Nc1ccccc1	192808970	GBFZCVCUWANHPV-UHFFFAOYSA-N	315.304	1.154	50	20	DDGD	
O=C(C[C@@H]1CCCCO1)NNC(=O)Cn1ccc2ccccc21	87252287	YACWKGWDZOYJCK-AWEZNQCLSA-N	315.373	1.748	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(C#N)cs2)c(O)c1	84386011	VSTHZYFYUKGFGC-UHFFFAOYSA-N	301.327	1.709	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1c[nH]nc1-c1ccccc1	82977481	BPYUBJDIONNSQH-UHFFFAOYSA-N	321.340	1.475	50	20	DDGD	
CCc1cccc(S(=O)(=O)NNC(=O)c2cccn2C)c1	80937894	FNDYOUUVQHOGQC-UHFFFAOYSA-N	307.375	1.211	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2cc3occc3[nH]2)c1	132804876	ASINLHXMLRICEF-UHFFFAOYSA-N	313.313	1.909	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)C(=O)Nc2ccc(F)cn2)c1	194042626	NWGRJEDKCXNQEC-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=O)Cc1ccccc1F	246303148	WVDIFFJSXRJIKY-JHJVBQTASA-N	321.396	1.777	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@@H]2CCSC2)c1	266596329	NQBKRMUVHMGACM-LLVKDONJSA-N	309.391	1.210	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)C2CCC2)CCOCC1	264796928	SUORCUSUNATXCX-UHFFFAOYSA-N	316.401	1.991	50	20	DDGD	
Cc1cc(C)n2nc(C)c(C(=O)NNC(=O)C3CCC3)c2n1	264826080	YFDWABPITHUSFF-UHFFFAOYSA-N	301.350	1.216	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)CC(C)C)c1cc(OC)cc(OC)c1	268744227	UCNMJOKQIRWIOK-HNNXBMFYSA-N	324.377	1.585	50	20	DDGD	
COC(=O)N1CC(NC(=O)NNc2c(F)cccc2F)C1	269279762	KYUCZGCBVWJMJI-UHFFFAOYSA-N	300.265	1.042	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CSC[C@@H]1C(=O)NC(C)(C)C	269504711	YEUAELHNUSIYLQ-PFEDMVJOSA-N	311.407	1.247	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cn1)[C@H]1C[C@]12CCOC2	363710938	XOTFIDLFIWGRKA-SKDRFNHKSA-N	301.268	1.970	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](C)Oc1cccc(C(C)=O)c1	271452478	UYBVQUOHEMPLGQ-NSHDSACASA-N	307.350	1.349	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCCn2cccc2)nc1	270334933	AEIBIEVIXRSRIK-UHFFFAOYSA-N	302.334	1.593	50	20	DDGD	
N#Cc1ccc(Cl)c(NC(=O)C(=O)NNC(=O)C2CCC2)c1	274103883	PMRMRTGZBABFPD-UHFFFAOYSA-N	320.736	1.098	50	20	DDGD	
C[C@@H]1Cc2cc(S(=O)(=O)N3CC=C(C#N)CC3)ccc2O1	273535165	CWCUWBBNSVHGKT-LLVKDONJSA-N	304.371	1.854	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1)C1CC1	279883404	IHQDOESNAKPLSY-NOZJJQNGSA-N	310.325	1.165	50	20	DDGD	
COC1(C)CCN(C(=O)NNC(=O)c2ccc(C)s2)CC1	271580119	BSISMORXLFFAQB-UHFFFAOYSA-N	311.407	1.912	50	20	DDGD	
CC[C@H]1CCCC[C@H]1OCC(=O)NNC(=O)c1ccccn1	274314986	NKMDIXFQRDXCGM-GXTWGEPZSA-N	305.378	1.828	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F)c1ccc[nH]1	372280948	IWMYKRMPDFLZNU-IMSYWVGJSA-N	317.267	1.132	50	20	DDGD	
COCc1cc(C(=O)NNc2nccnc2C2CCC2)no1	287341732	YUIGWEKRACLLTO-UHFFFAOYSA-N	303.322	1.635	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H]2CCCN2c2ccccc2)n1	373277421	GXSSGQGXVYXKIT-ZDUSSCGKSA-N	313.361	1.597	50	20	DDGD	
COCCN(C)NC(=O)CC[C@H]1Cc2ccccc2NC1=O	288490040	SRMRQZFMLKRSPA-ZDUSSCGKSA-N	305.378	1.187	50	20	DDGD	
CN(NC(=O)C(=O)Nc1cc2n(n1)CCCC2)c1ccccc1	289308896	WKLJPKNTYKOXEM-UHFFFAOYSA-N	313.361	1.326	50	20	DDGD	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1nc(C(F)(F)F)cs1	288122691	YJZYCDZXNRKTSX-NTSWFWBYSA-N	323.296	1.804	50	20	DDGD	
CN(C)[C@H](C(=O)NNc1cccc(Cl)c1)c1cncn1C	280829316	SRGYFGLCGDHRDZ-ZDUSSCGKSA-N	307.785	1.820	50	20	DDGD	
C=CCC(C)(C)C(=O)NNC(=O)CNc1ccccc1OC	295422562	NYNYVPUQPUUSKH-UHFFFAOYSA-N	305.378	1.857	50	20	DDGD	
C[C@@H](Cc1cnc2ccccc2n1)C(=O)NNC(=O)CC1CC1	294044583	FFYSHKAEAOKKFV-NSHDSACASA-N	312.373	1.756	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)O1	293915176	APORXNQWFWNGAB-MBGOOHRESA-N	324.327	1.783	50	20	DDGD	
Cc1[nH]c(C=NNC(=O)[C@@H](C)CN2CCCCC2)cc1C(=O)O	800808072	FFFKXLREVHFXCN-NSHDSACASA-N	320.393	1.593	50	20	DDGD	
C[C@@H]1CC(=O)N[C@H](C(=O)NNc2cc(F)c(F)c(F)c2)C1	293278876	GBULGSGEVIFLAP-WKEGUHRASA-N	301.268	1.462	50	20	DDGD	
COc1nnccc1NC(=O)NNC(=O)c1ccccc1F	808903113	WQXJOZUPVDQIRR-UHFFFAOYSA-N	305.269	1.091	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)Cc2ccc(F)cn2)c1	807198504	SLGRZEKLRKBESP-UHFFFAOYSA-N	323.349	1.310	50	20	DDGD	
CCC[C@@H](C)C(=O)NCCNC(=O)NNc1cccc(OC)n1	292474342	BGDBKAADNPPVRJ-LLVKDONJSA-N	323.397	1.269	50	20	DDGD	
COCc1nn(C)cc1C(=O)NNC(=O)Nc1ccccc1C	296341753	VMRPEZAQAZGRSS-UHFFFAOYSA-N	317.349	1.341	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2c(F)ccc(O)c2F)n1	809688761	DTSCDWUJPRZWOC-UHFFFAOYSA-N	309.276	1.283	50	20	DDGD	
COc1cc(C=NN(C)C(N)=O)cc(OC)c1OCC(F)F	807980637	XKEUBYAWVYENAD-UHFFFAOYSA-N	317.292	1.692	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NNc1ncc(F)cc1F	296814893	CKWYWKPEIYBQEJ-VIFPVBQESA-N	301.297	1.030	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)CC(F)(F)F)n(C)c1C	800810347	LXGUXGNVXSAMIB-UHFFFAOYSA-N	305.256	1.523	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1ncccc1C(F)(F)F	801623352	IUORHGYKJRUJKF-UHFFFAOYSA-N	318.299	1.850	50	20	DDGD	
CC(C)C(=O)Nc1cc(C(=O)NNC(=O)C2CCC2)ccn1	293735023	NCJQMFMOWAMAIH-UHFFFAOYSA-N	304.350	1.237	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NC[C@H]1C[C@H]1C	298732867	MIQBQQIOHIGSGW-DGCLKSJQSA-N	305.378	1.614	50	20	DDGD	
CCC(CC)n1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)n1	295691862	ZDQJWVZMUNHFGQ-ZDUSSCGKSA-N	308.382	1.574	50	20	DDGD	
COc1cccc([C@H](C)NC(=O)NNc2nccc(OC)n2)c1	298917043	CYJKKYAVIWCMHI-JTQLQIEISA-N	317.349	1.881	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H]1OC[C@H]2COCC[C@@H]21	290460605	JELGFPZUPFWMEU-JIMOISOXSA-N	307.306	1.089	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)CSC2CC2)c1	295050196	OMXFBUUHLJYGIU-UHFFFAOYSA-N	300.405	1.429	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H]2C[C@@H](OCC)[C@H]2OC)cc1	298160595	BPEZWCCKQIJKLA-KFWWJZLASA-N	323.393	1.904	50	20	DDGD	
C[C@H](CC(=O)NNc1cccc(F)n1)NC(=O)c1ccccc1	804764313	UGWJOGQEJGSDSD-LLVKDONJSA-N	316.336	1.872	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCOCC2)cc1)c1cnccn1	818281003	JEGSEWHNHHQCHL-UHFFFAOYSA-N	311.345	1.077	50	20	DDGD	
CC(C)(C)n1ccnc1SCC(=O)NNc1ncncc1F	817082799	MAQVUXGMEUKBTP-UHFFFAOYSA-N	324.385	1.803	50	20	DDGD	
Cn1nncc1NNC(=O)CCC(=O)c1ccc2c(c1)CCC2	816769639	QAJQUJYQQGIOOM-UHFFFAOYSA-N	313.361	1.410	50	20	DDGD	
CN(NC(=O)[C@H](c1ccccc1F)N1CCOCC1)C1CC1	819648952	YTQVLDZWUHEZFR-HNNXBMFYSA-N	307.369	1.324	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2c(Cl)nc(Cl)n2C)cn1	814852387	VXZAUSGOCNPJKU-UHFFFAOYSA-N	301.137	1.224	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)c1cc(Cl)ccc1O	812454880	SDCOCZAOFKXSLK-RKDXNWHRSA-N	314.769	1.725	50	20	DDGD	
O=C(NNC(=S)NC1CCC1)c1ccc2ccccc2n1	814189191	KJPGSQNEIPUQGR-UHFFFAOYSA-N	300.387	1.896	50	20	DDGD	
COCCC(COC)=NNC(=O)Nc1ccc(C(=O)O)cc1	812225972	FLFJOMCHHHXBQU-UHFFFAOYSA-N	309.322	1.545	50	20	DDGD	
C=CCC(F)(F)C(=O)OCC(=O)NNC(=O)c1cccs1	815314880	JUVSPGDMQBMRCN-UHFFFAOYSA-N	318.301	1.264	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1CCNC(=O)C1(CC)CC	819805153	OQPBAHZMNRCBHT-UHFFFAOYSA-N	310.442	1.517	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCN(Cc2ccccc2)[C@H]1C	811647656	VOTGDHHZLJIBEM-LBPRGKRZSA-N	318.377	1.109	50	20	DDGD	
Cn1nc(Br)cc1C(=O)NCCCSC#N	816539894	XIEKXJBRFYYHAU-UHFFFAOYSA-N	303.185	1.517	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cc(F)ccc1N1CCOCC1	819126665	SWEJXXKBHUKRPO-UHFFFAOYSA-N	321.352	1.223	50	20	DDGD	
COCCOc1ccccc1C=NNC(=O)N=c1cc[nH]cc1	815002334	VUBZKPDHGCNYQH-UHFFFAOYSA-N	314.345	1.684	50	20	DDGD	
O=C(NC[C@H]1COc2ccccc21)NNc1ncncc1F	814336572	WXDWQQDMRQCKAL-VIFPVBQESA-N	303.297	1.418	50	20	DDGD	
CCc1cc(NC(=O)NNC(=O)c2ccc(C)cc2O)nn1C	817334881	TUIBMFXHUYHAGI-UHFFFAOYSA-N	317.349	1.463	50	20	DDGD	
Cc1cc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cc(O)n1	826259764	FANQARNSQSWNJA-UHFFFAOYSA-N	311.305	1.033	50	20	DDGD	
C[C@@]1(C(=O)NNc2cc(Cl)ccc2Cl)CCNC1=O	821158822	SNZASSCWZNNHJT-GFCCVEGCSA-N	302.161	1.963	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(Br)c(F)c1	823965168	JSXUAKNQUTZEAS-SSDOTTSWSA-N	305.147	1.546	50	20	DDGD	
CCCN(CCN(CC)CC)C(=O)/C(C#N)=C/c1cnn(C)c1	491007734	GVMWJAYBAUDCLE-LFIBNONCSA-N	317.437	1.907	50	20	DDGD	
CC(C)CC[C@@H]1CCCC1=NNC(=O)[C@H](C)NS(C)(=O)=O	728434154	VAUITOBZDKBPJJ-RYUDHWBXSA-N	317.455	1.633	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1ccc(C(=O)OC)n1C	821027986	OAAJPNAJNKUABI-ZRDIBKRKSA-N	319.361	1.261	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(C)cc1Br	823870098	YMUMORUSUMQLGK-UHFFFAOYSA-N	301.184	1.717	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C	496690511	JRINNBDIAVKORR-NXEZZACHSA-N	316.402	1.276	50	20	DDGD	
C=CCC1(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CCCC1	826923548	RNCPUXGQRCVKMX-CHWSQXEVSA-N	309.410	1.878	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cnc(C3CC3)s2)n1	729298745	CCMPTDUTYJEGFP-UHFFFAOYSA-N	319.390	1.295	50	20	DDGD	
Cc1ncc(CN(C)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)s1	827315944	WPDAEQYTWHGCNC-KWQFWETISA-N	312.395	1.049	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(-c3nn[nH]n3)cc2C)nc(C)n1	826271268	KJMFUVDLFFAWSO-UHFFFAOYSA-N	324.348	1.339	50	20	DDGD	
CC(C(=O)NNC(=O)c1ccc2c(c1)OCCO2)=C1CCC1	824176045	HZTZTMUBWUJCPI-UHFFFAOYSA-N	302.330	1.719	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1csc(Cc2ccc(F)cc2)n1	823964714	DQCVVSWNIGMMOY-JTQLQIEISA-N	323.393	1.830	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCc2ccc(F)cc2C1	827287695	GOBNKCPARJUNIP-HZMBPMFUSA-N	321.352	1.350	50	20	DDGD	
CN(NC(=O)CC1(CS(C)(=O)=O)CC1)C(=O)OC(C)(C)C	496368175	LYOJMTGCUDAXQO-UHFFFAOYSA-N	320.411	1.099	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)N[C@H]1C=CCC1	821074610	MVYRARVKUKASDM-NSHDSACASA-N	321.402	1.836	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cccc(OCc2cccnc2)c1	823971156	PUTIWVVANFWAJX-ZDUSSCGKSA-N	315.373	1.618	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)C2CC2)CC1)c1ccc(Cl)cc1F	826615208	DOEAQZRXKAMTKA-UHFFFAOYSA-N	324.739	1.999	50	20	DDGD	
CCCN(C(=O)c1cccc(B(O)O)c1)[C@@H]1CCc2ccccc21	584938402	DYXAWODLFPNRHY-GOSISDBHSA-N	323.201	1.906	50	20	DDGD	
COc1ccnc(NNC(=O)CC[C@@H]2CC2(Cl)Cl)n1	821481712	RRHARYPEOGTYHW-SSDOTTSWSA-N	305.165	1.902	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccccc1C(=O)c1cccs1	823983138	LSEVFMCKXMAABZ-LLVKDONJSA-N	318.398	1.937	50	20	DDGD	
CCCCC[C@H](O)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	822205118	LXQCURHIAHYSTJ-HNNXBMFYSA-N	317.389	1.799	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1ccc(OC2CC2)cc1	829719287	ARXPNUKZMUSHRJ-UHFFFAOYSA-N	312.391	1.583	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1	491163799	YFWOKEIBTZQMLM-OUOSUHLLSA-N	318.348	1.852	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)OC(C)(C)C)c1cnccn1	494122360	ALAQKCKRAOVYHL-UHFFFAOYSA-N	321.381	1.622	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21)c1cccc2cccnc12	906463406	XCTUNKZPFVEGCY-LEWSCRJBSA-N	309.325	1.221	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1cnc(-c2ccccc2)nc1	495570063	SKBMKTJEJZGPED-UHFFFAOYSA-N	322.346	1.083	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C1CC1	496352517	ZTQPOZOLJOOXCW-VIFPVBQESA-N	314.386	1.125	50	20	DDGD	
CCCN(CCC)CCCC(=O)NNC(=O)[C@@H]1CCCCO1	833250813	MNTGNMZMBWRPTM-AWEZNQCLSA-N	313.442	1.605	50	20	DDGD	
COCCN(C)NC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F	837623128	YBOPOQCLADJBHQ-UHFFFAOYSA-N	322.331	1.880	50	20	DDGD	
CCOC(=O)N[C@@H](C(=O)NNc1nccnc1Cl)C(C)C	491378802	PWTBBCKONWQNFV-MRVPVSSYSA-N	315.761	1.344	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H](F)C(F)(F)F)c(F)c1	837205797	DPPYVVBIHPMVFY-MRVPVSSYSA-N	312.194	1.956	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)N[C@H]1CCCN(C(=O)O)C1	739454806	VGZBDLLNUFSBJT-JTQLQIEISA-N	323.309	1.363	50	20	DDGD	
C[C@]1(C(=O)N(CCO)Cc2cccnc2)C[C@H]1Br	907070895	HWCFUJGWFXSSRN-YPMHNXCESA-N	313.195	1.576	50	20	DDGD	
CC[C@]1(C)CCCN(C(=O)c2cc(B(O)O)ccc2F)CC1	584959575	CFEHQSYZUWKAIJ-MRXNPFEDSA-N	307.174	1.548	50	20	DDGD	
C=CC(C)(C)CNC(=O)NNc1ccc(-n2ccnc2)nn1	836593474	SCPQGTXKXVWNKJ-UHFFFAOYSA-N	301.354	1.501	50	20	DDGD	
C[C@@]1(C(=O)NC2CCN(C3CC3)CC2)C[C@H]1Br	905633611	MTGHZQFSMDKMHY-DGCLKSJQSA-N	301.228	1.903	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)N[C@@H]1CCS(=O)(=O)C1	905153346	NRQIQEURSNNREN-SNVBAGLBSA-N	317.798	1.462	50	20	DDGD	
O=C(CN1CCCO[C@H](c2ccccc2)C1)NNC(=O)C1CC1	733197739	BDWHBFBPDHBSPC-HNNXBMFYSA-N	317.389	1.007	50	20	DDGD	
O=S(=O)(CCl)NC[C@@](O)(c1ccccc1)C(F)(F)F	830618730	JGKYVMZNEUZXOD-SECBINFHSA-N	317.716	1.552	50	20	DDGD	
CC(=O)N(C)Cc1cn(/C(Cl)=C\CBr)nn1	900546428	MYAHZHYROKLYLE-OQFOIZHKSA-N	307.579	1.689	50	20	DDGD	
Cc1cccnc1CNC(=O)NNc1cccc(-c2nn[nH]n2)c1	737432651	BOMIGZKLYWKBPN-UHFFFAOYSA-N	324.348	1.396	50	20	DDGD	
COc1ccnc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1	734767675	AYESOKAGWVXWJO-UHFFFAOYSA-N	316.273	1.073	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNc2cccc(Br)n2)CCN1C	839791269	GOHSHWJXGXCIMX-RKDXNWHRSA-N	313.199	1.627	50	20	DDGD	
C[C@H](N)C[C@@H](C)NC(=O)NNC(=O)Nc1cc(F)cc(F)c1	831224045	VOYISYZGVZDXCD-JGVFFNPUSA-N	315.324	1.426	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC1(c2ccc(C)cc2C)CC1	838636309	HFTCTSSFWBGVNP-UHFFFAOYSA-N	319.405	1.702	50	20	DDGD	
C[C@@]1(C(=O)N2CCC3(CCNC3=O)CC2)C[C@H]1Br	913791157	QCBQFLRVDVUREW-BXKDBHETSA-N	315.211	1.289	50	20	DDGD	
CC(C)CN1CCC(NC(=O)NNC(=O)C2CCCC2)CC1	916250549	LGOFYVAKAOBLAI-UHFFFAOYSA-N	310.442	1.627	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)c2c(C)nc3ccccn23)n1	834923028	UWZTVFATNZQUNH-UHFFFAOYSA-N	311.349	1.326	50	20	DDGD	
CSc1cc(C)ccc1NC(=O)C(=O)NNC(=O)CC(C)C	839513397	XRXURNOOQKOEFH-UHFFFAOYSA-N	323.418	1.849	50	20	DDGD	
CCCOc1ccc(C(=O)NN[C@@H](C(=O)O)C2CC2)cc1OC	833652731	YMAVGAQHXOLTHQ-CQSZACIVSA-N	322.361	1.582	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C1CCCC1	914844358	YBCLLXVVQUEKHI-ZDUSSCGKSA-N	315.373	1.377	50	20	DDGD	
CCC[C@H](C(=O)NNc1ccc2ccccc2n1)S(N)(=O)=O	831750435	ZJKFINNBLCAXJU-GFCCVEGCSA-N	322.390	1.135	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cnn(-c2ccc(Cl)cc2)c1	910169786	FHOUGVQTDASFED-SNVBAGLBSA-N	308.769	1.483	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cc(C)n(C2CC2)c1C	748257382	IDNHADKONAQDKC-ZDUSSCGKSA-N	307.394	1.941	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H](Cc2ccccc2)C(C)C)nc1O	740085725	OXFRKGZGQLDZOD-CYBMUJFWSA-N	315.377	1.844	50	20	DDGD	
N#Cc1ccc(C(=O)NN=Cc2ccc(OCC(=O)O)cc2)cc1	747052116	WROOELDAPIRDNF-UHFFFAOYSA-N	323.308	1.786	50	20	DDGD	
NC(=O)NCCCCC(=O)NNc1ncccc1C(F)(F)F	740093939	XMOGQFBQKBYMJY-UHFFFAOYSA-N	319.287	1.382	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H](C)C2CC2)cc1	748135695	XXPNKTFPBYMXRR-LLVKDONJSA-N	304.346	1.345	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ncccn2)c(C)n1C(C)C	841446959	ZRWRQDNGVGLPKS-UHFFFAOYSA-N	301.350	1.551	50	20	DDGD	
CC1=C(C(=O)NNc2cccc([N+](=O)[O-])c2)C(=O)OC1(C)C	748004014	QOFDTNBIFKOEMF-UHFFFAOYSA-N	305.290	1.690	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccccc1OC1CC1	843659244	XDMMNZHZVPXJOK-CMPLNLGQSA-N	304.346	1.414	50	20	DDGD	
C[C@H](N)[C@@H]1CN(C(=O)[C@@H](Br)C(C)(C)C)CCO1	843357677	URIWKUPRFXFART-LPEHRKFASA-N	307.232	1.371	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)c1cc(Cl)ccc1O	740075122	FEPKLIYOIRGGLT-UHFFFAOYSA-N	309.709	1.671	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2ccnn2C)o1	746494859	VFAYCUGOTOJPJK-UHFFFAOYSA-N	303.366	1.619	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	843658737	GEVLEFJGFBKEAU-SLEUVZQESA-N	320.389	1.446	50	20	DDGD	
CCNc1nc(C)c(C(=O)NNc2nccc(OC)n2)s1	748025054	RPAQYWPEEPXRDS-UHFFFAOYSA-N	308.367	1.439	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)[C@@H]2CCO[C@@H]2C)[C@H](n2cncn2)C1	842562111	VDGIKZUWBLVOIR-HKUMRIAESA-N	305.382	1.536	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H]2CCC[C@@H](N)C2)cc1	841981497	DEECJJCPOIQGFP-KGLIPLIRSA-N	304.394	1.463	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1F	844274617	DWMRZEJLCVAHDX-IZZDOVSWSA-N	309.293	1.939	50	20	DDGD	
CC1(C(=O)NNC(=O)c2cccc(Cl)n2)CCC(=O)CC1	912509056	ZXNMQHMDNIGGJE-UHFFFAOYSA-N	309.753	1.645	50	20	DDGD	
C[C@H]1C(=O)N(NC(=O)[C@H](Br)C(C)(C)C)C(=O)N1C	912822817	BMNVJQIKXIEBDI-BQBZGAKWSA-N	320.187	1.110	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCC2)c1cc2c(s1)CCC2	915695978	GHTLCADCYQGRBU-UHFFFAOYSA-N	316.386	1.523	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1nc2ccccc2s1	744827268	GMOMZJZAOTWLOB-UHFFFAOYSA-N	302.359	1.415	50	20	DDGD	
Cc1nc(C=NNC(=O)COc2ccc(C#N)cc2)cs1	916299902	ALEUIBCTEPVTMN-UHFFFAOYSA-N	300.343	1.852	50	20	DDGD	
Cn1ccc(CNC(=O)NNC(=O)c2ccc(Cl)cc2F)c1	747954765	LWXISIGZXCNCIQ-UHFFFAOYSA-N	324.743	1.962	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1ccc(C(=O)O)[nH]1	749814883	GZOGHHNHTLDWHQ-UHFFFAOYSA-N	301.302	1.414	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Nc2ccccc2C)cn1	918690988	RBDUMPAAQARPKO-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
CC(=NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)c1csc(C(=O)O)c1	844609901	XHHJTRJOFIWORJ-OUAUKWLOSA-N	308.359	1.854	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H]1CCCC[C@H]1CN	841951080	WCZQGQYMWYCOEG-AAEUAGOBSA-N	320.393	1.157	50	20	DDGD	
CC1=CC(=NNC(=O)Cc2cc(O)nc(O)n2)CC(C)(C)C1	743445965	LGDIRPRCEFVLSA-UHFFFAOYSA-N	304.350	1.669	50	20	DDGD	
NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1c(Cl)cccc1Cl	847582811	RALXNHOVTWDFOD-BQBZGAKWSA-N	302.161	1.948	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)CCc2ccccc2)no1	749933067	LRTGLRKMRJHMJO-UHFFFAOYSA-N	302.334	1.446	50	20	DDGD	
Cn1cc(-c2cccc(C(=O)NNC(=O)NCC3CC3)c2)cn1	741676796	TVLNHLRWLSZQKN-UHFFFAOYSA-N	313.361	1.441	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=C1CO[C@H](C)C1	842536409	RQHPPCUMJGPGDS-ZYHUDNBSSA-N	309.366	1.184	50	20	DDGD	
CCOc1ccc(NNC(=O)Cc2nc(C3CC3)nn2C)cc1	843895865	VQGSUCCRVDCIIW-UHFFFAOYSA-N	315.377	1.777	50	20	DDGD	
CC(CN1Cc2ccccc2C1=O)=NNC(=O)[C@@H]1CCO[C@@H]1C	842561004	OEXAPABWEDMAIS-TZMCWYRMSA-N	315.373	1.560	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCc2c1cccc2[N+](=O)[O-]	848406650	ORWNIZNMOQCHSO-SNVBAGLBSA-N	321.333	1.413	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@](C)(O)c1cccc(C(F)(F)F)c1	754852498	ZKPUUFFRXJNRID-GFCCVEGCSA-N	319.283	1.215	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cnc(C2CC2)s1	855091357	MYQCAAQKZOQPCU-UHFFFAOYSA-N	310.448	1.930	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1c(Cl)cccc1[N+](=O)[O-]	758101198	WDCVBOGCALRHFC-UHFFFAOYSA-N	324.724	1.367	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@]12CCC(=O)N1CCS2	855365637	OUADJVPRJDBJEW-CQSZACIVSA-N	309.366	1.643	50	20	DDGD	
O=C(NNC(=O)N1CCC(OC2CCCC2)CC1)c1cn[nH]c1	858704464	RVBCIKYUQAMHKZ-UHFFFAOYSA-N	321.381	1.188	50	20	DDGD	
CC(C)c1cccc(O[C@@H](C)C(=O)NNC(=O)c2cc[nH]n2)c1	855359213	JVSKTJCYQYNHFJ-NSHDSACASA-N	316.361	1.762	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)C)cnc1Br	929288029	OHBAFMVCMUGRTO-UHFFFAOYSA-N	300.156	1.570	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C[C@H]1CSCCS1	752269037	VIFLVGNQRKJKPJ-QMMMGPOBSA-N	307.510	1.519	50	20	DDGD	
CC(C)(C)C(=O)NN=Cc1cc2c(cc1[N+](=O)[O-])OCCO2	920373944	OBQOBRPMCCHGES-UHFFFAOYSA-N	307.306	1.862	50	20	DDGD	
Cc1nn(C)cc1C(=O)NNc1ccc(C(F)(F)F)nn1	755183470	MMKOARVLYVIELB-UHFFFAOYSA-N	300.244	1.294	50	20	DDGD	
NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1ccc(-c2ccccc2)nn1	857149585	XOAOXWXWAAOKDB-RYUDHWBXSA-N	311.345	1.098	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2cc(C(=O)O)cs2)cs1	755541836	KTBAUFGZHNRHPV-UHFFFAOYSA-N	309.372	1.904	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)cn1	920985343	OGCIJSDDAZSJRE-UHFFFAOYSA-N	316.321	1.547	50	20	DDGD	
Cc1ccc(N2CCCC2)c(C(=O)NNC(=O)c2cc[nH]n2)c1	855358888	YTNOLDZOVNKIBJ-UHFFFAOYSA-N	313.361	1.393	50	20	DDGD	
CC(C)(CNC(=O)NNc1ccc(F)c(F)c1)S(C)(=O)=O	921318625	AGHWONNOPSUKPL-UHFFFAOYSA-N	321.349	1.414	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C1CC(F)(F)C1	754013401	DJVOKBKXCGENQK-UHFFFAOYSA-N	312.316	1.821	50	20	DDGD	
CC(C)=C(C)C(=O)NNC(=O)c1csc(N2CCOCC2)n1	751188181	JQHVWYKOZJLJRJ-UHFFFAOYSA-N	324.406	1.097	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2[nH]c(C)nc2C)cc1	856755910	HZOKSZQSOKNIPA-UHFFFAOYSA-N	318.402	1.888	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC12CCSCC2)OCC(F)(F)F	856027220	DPALJMZHIJEQTK-SSDOTTSWSA-N	312.313	1.839	50	20	DDGD	
CC(C)[C@H]1C[C@@H](CC(=O)NNC(=O)c2cccc(F)n2)CCO1	856422710	BWRCXPYSSUKZMU-WCQYABFASA-N	323.368	1.823	50	20	DDGD	
Cc1noc(C2CCN(C(=O)NNC(=O)C3CCCC3)CC2)n1	753343378	ICJAWXUSFRBDOO-UHFFFAOYSA-N	321.381	1.488	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H](C)c2ccn(C)n2)c1	858536632	IYSPTYOLVUDTTK-SECBINFHSA-N	307.379	1.495	50	20	DDGD	
CO[C@@H]1C[C@H](NC(=O)NNC(=O)CCc2ccccc2)C1(C)C	753428067	BPUPOLKHGWLEMH-UONOGXRCSA-N	319.405	1.763	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@@H]1CCCN1C1CCCC1)C1CC1	855098476	IBLMDEWJDJXIAP-RISCZKNCSA-N	324.494	1.687	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)COc1cccc(C)c1)C1CC1	851915551	LQELNJUPHRZXTB-AWEZNQCLSA-N	305.378	1.893	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1cccc(OC[C@@H]2CCCO2)c1	753936262	ZJCLRDQUELGMRM-AWEZNQCLSA-N	319.361	1.807	50	20	DDGD	
Cn1nnc2cc(C(=O)NNc3c(F)cccc3F)cnc21	755561011	JFIWTGAUIVQKBS-UHFFFAOYSA-N	304.260	1.398	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@H]1[C@H]1CCCO1)c1cccc(F)n1	852708607	ABNHYPJODMZSQM-NWDGAFQWSA-N	322.340	1.219	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C[C@@H]1CCCO[C@H]1c1cnn(C)c1	853309726	UVPOMFACOKXSBM-SMDDNHRTSA-N	316.365	1.335	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)c1ccccc1	858105700	MGYHBRKPHMVONS-CYBMUJFWSA-N	301.350	1.751	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	757987215	UUWQJYSXQANASI-UHFFFAOYSA-N	316.296	1.446	50	20	DDGD	
CC(C)(C)n1nnc(C=NNC(=O)NCCc2cccs2)n1	853295507	LUFFONBZFFFVMN-UHFFFAOYSA-N	321.410	1.365	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc2n[nH]cc2c1)C1CC1	855104104	ZKWYTRDLSAOSNF-MRVPVSSYSA-N	303.391	1.470	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCOC2CCCC2)c1	858191613	BECWBCBTZJWHRD-UHFFFAOYSA-N	311.407	1.960	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNC(=O)CCc1ccccc1	759026944	KEYNVQXFHLHRBB-UHFFFAOYSA-N	312.373	1.741	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1sccc1C	853387921	UMLMAXIAZADKOV-OLZOCXBDSA-N	307.419	1.760	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N[C@H]2CCOC2)c2ccccc2n1	752704886	OXNGVLLTPFNPMM-NSHDSACASA-N	314.345	1.276	50	20	DDGD	
O=C(CSc1ccccc1Cl)NNC(=O)[C@@H]1CCOC1	769776803	GUPOODHOSGMFEY-SECBINFHSA-N	314.794	1.616	50	20	DDGD	
O=C(C[C@H]1COC(=O)C1)NNC(=O)C12CC3CC(CC(C3)C1)C2	764534513	RNGGMGHSNXSKKF-CQCMJFKXSA-N	320.389	1.303	50	20	DDGD	
CCn1cnnc1-c1cccc(NCc2cccc(B(O)O)c2)c1	864026181	XIWDMXVZWFELHY-UHFFFAOYSA-N	322.177	1.257	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1c[nH]c2cc([N+](=O)[O-])ccc12	762088545	ZOBNNGOSWDWWSF-UHFFFAOYSA-N	316.252	1.762	50	20	DDGD	
Cc1ccccc1C[C@@H](C)C(=O)NNc1ccc(C(N)=O)nn1	863895117	HMYKFQSCYDAXHG-LLVKDONJSA-N	313.361	1.206	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H](C=NNC(=O)c1cn[nH]c1)CC1CC1	863154230	SEGSVRHMFOCUAL-GFCCVEGCSA-N	321.381	1.819	50	20	DDGD	
COc1ccc(Cl)cc1C(F)(F)C(=O)NNC(=O)N(C)C	931120188	XWLGMTXALVJKLU-UHFFFAOYSA-N	321.711	1.743	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(C(F)F)n(C)n2)n1	933984323	AKKSOMSAAUAVRL-UHFFFAOYSA-N	312.280	1.222	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)C(=O)NNc1ccc(F)c(Cl)c1	863080834	PECMNZPMKVHHPT-ZETCQYMHSA-N	308.762	1.603	50	20	DDGD	
O=C1NCC[C@]1(C(=O)NNc1cccc(F)n1)C1CCCC1	861686697	ROVMCPYUQOGYDN-HNNXBMFYSA-N	306.341	1.360	50	20	DDGD	
COc1ccc(CNC(=O)NNc2ccc(C)nn2)c(C)c1	765861864	SRRJMJCDIWPKGK-UHFFFAOYSA-N	301.350	1.928	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cn1	761786585	QUMZMZKIEHXHLJ-UHFFFAOYSA-N	303.234	1.655	50	20	DDGD	
Cc1cc(C)n(CCC(=O)NNc2cc(C#N)cc(Cl)n2)n1	768695793	OCITXMBIYRJEQC-UHFFFAOYSA-N	318.768	1.953	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)CNc1ccc(C)cc1C)C1CC1	863855046	LHRIBZJHTNHBIF-INIZCTEOSA-N	319.405	1.678	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccccc1[S@](=O)CC	768265978	YQBVZVNKJKYCRT-HXUWFJFHSA-N	311.432	1.109	50	20	DDGD	
CC(F)(F)C(C)(C)C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	863126533	KOEZLGFRSNKIQS-MNOVXSKESA-N	303.353	1.633	50	20	DDGD	
CC(=O)c1cccc(C(=O)NNC(=O)NCc2ccco2)c1	765118436	DZUBYKMBGMSARI-UHFFFAOYSA-N	301.302	1.626	50	20	DDGD	
CN(C)c1c(C=NNC(=O)CN2CCCC2=O)ccc(F)c1F	863073450	UMLJUVBVGPYWHR-UHFFFAOYSA-N	324.331	1.103	50	20	DDGD	
COc1cc2c(cc1OC)C(=NNC(=O)c1cn[nH]c1)CC2	863154240	SOMZPUUBHJHUKA-UHFFFAOYSA-N	300.318	1.507	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H](C)c2c(F)cccc2F)nc1O	763525413	OUQRYZDUCSDEKN-LURJTMIESA-N	309.276	1.411	50	20	DDGD	
CCC[C@H](CC)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	873821327	IVSYXRBVSSDEIG-LBPRGKRZSA-N	305.378	1.907	50	20	DDGD	
O=C(CCCC[C@H]1CCSS1)N[C@@H]1COCC[C@H]1O	871187834	JITHPEJDGVGZEK-QJPTWQEYSA-N	305.465	1.967	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1ncc(C(N)=O)cc1Cl	1118380312	ZFDGTSNJKPPGDD-UHFFFAOYSA-N	310.568	1.710	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1CCCC1	778443435	RHYPNIIJHHKGGJ-JTQLQIEISA-N	313.398	1.485	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CN(C)C(C)C)c(C)c1	873758003	GAVSRMAVOFVOTQ-UHFFFAOYSA-N	308.451	1.961	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)c1ccc(F)cn1	770602275	NLKVALUKHPJEBP-UHFFFAOYSA-N	320.349	1.552	50	20	DDGD	
COCCc1ncc(C=NNC(=O)c2cccc(C)n2)s1	872370340	YBAJWTKPHNEGTP-UHFFFAOYSA-N	304.375	1.799	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H](N2)[C@@H]1C	877182529	NCAHPMNCXNBAFK-KQURDKLPSA-N	324.856	1.998	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1cscc1Cl	873803722	RFTNMIFBDBGPDT-UHFFFAOYSA-N	303.771	1.534	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H](OC)C(C)C)c1	874950586	UBEVINJFYSUAQI-CYBMUJFWSA-N	305.403	1.657	50	20	DDGD	
CCc1cnccc1[C@H](C)NC(=O)NNC(=O)CC(F)(F)F	774332937	ZIVBHSZRTRQYRU-QMMMGPOBSA-N	318.299	1.988	50	20	DDGD	
O=C(NNc1ncccn1)Nc1nnc(-c2ccco2)s1	775524135	CZVRIPYOHFDVEL-UHFFFAOYSA-N	303.307	1.737	50	20	DDGD	
CCOc1ccc(C=NNC(=O)NCC(=O)OC)cc1OCC	779824020	YFWHVFHOLQYVMG-UHFFFAOYSA-N	323.349	1.290	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C2=CCCCO2)nc1C	778427984	HAAMYCCADVSECY-UHFFFAOYSA-N	306.322	1.099	50	20	DDGD	
COCCn1cc(C(=O)NNc2nc3ccccc3n2C)cn1	879949150	RGAULNDCTWKYSF-UHFFFAOYSA-N	314.349	1.173	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNc1ncc(Cl)cc1Cl	775275993	VEGVKEYVRJFMOO-ZCFIWIBFSA-N	305.165	1.746	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@H]1CC12CCC2	873258720	VORYGHDSSLMRIQ-ZDUSSCGKSA-N	303.362	1.511	50	20	DDGD	
Cc1cccc(NNC(=O)NC[C@@H]2CN(CC(C)C)CCO2)n1	875014504	KJEUDMXNGSBDEE-CQSZACIVSA-N	321.425	1.373	50	20	DDGD	
CCO[C@@H](C(=O)O[C@@H](C)C(=O)NNC(=O)CC)c1ccccc1	772041270	BZTJRTFBAXXMTN-SMDDNHRTSA-N	322.361	1.253	50	20	DDGD	
Cc1cccc(-n2cc(C(=O)NCCCSC#N)nn2)c1	773586022	CFGBFWSTSHOFHH-UHFFFAOYSA-N	301.375	1.910	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cc(O)c2ccccc2c1	883069438	IVSHREYXPZSXNZ-UHFFFAOYSA-N	314.341	1.733	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc(CCC(=O)OC)c1	881092635	NCQPPCYLODVYEM-UHFFFAOYSA-N	309.366	1.407	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCS[C@H](C)[C@H]2C)c1	777588610	NFKBZGZLDOVRHX-CHWSQXEVSA-N	321.446	1.582	50	20	DDGD	
C[C@H](Sc1nncn1C)C(=O)NNc1cc(F)ccc1F	885144362	BCDKLZSQCBNZBS-ZETCQYMHSA-N	313.333	1.717	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H]1[C@@H](C)C1(F)F	1123872432	IPTZJVVVFZGZCS-LDWIPMOCSA-N	302.252	1.957	50	20	DDGD	
Cn1cc([C@@H](NS(=O)(=O)CCCCl)C(F)(F)F)cn1	882134619	KLMSORSIEFTPFZ-MRVPVSSYSA-N	319.736	1.572	50	20	DDGD	
CN(C)c1cc(C(=O)NNC(=O)c2ccc[nH]2)nc2ccccc12	774328083	UKZRXUARTRLHPV-UHFFFAOYSA-N	323.356	1.704	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1c(F)ccc(F)c1Cl	883072773	YMXHSVDLVOBBBO-UHFFFAOYSA-N	318.707	1.806	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cnc(C(F)(F)F)nc1	887146538	BHQWSJRJXRITLE-UHFFFAOYSA-N	300.240	1.060	50	20	DDGD	
O=C(N[C@@H](CO)CN1CCCCC1)C1CCC(Cl)CC1	1123880524	PMEGTUOCFSYJBP-JXQTWKCFSA-N	302.846	1.747	50	20	DDGD	
COCCCNC(=O)NN=CC[C@@H]1CCCCC12OCCO2	788714886	QDZMTIHQZPMDRW-ZDUSSCGKSA-N	313.398	1.631	50	20	DDGD	
Cc1nn2c(C=NNC(=O)C(F)F)c(C(C)C)nc2s1	782234153	CMUYMQKHVWCNCK-UHFFFAOYSA-N	301.322	1.938	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CCCN2C2CC2)c([N+](=O)[O-])c1	787441143	COLJZUAWYLSOGE-ZDUSSCGKSA-N	320.349	1.673	50	20	DDGD	
CCOc1c(C=NNC(=O)C(C)(C)O)c(C)nn1CC(C)C	785462688	KMDLQMMTOZIFOE-UHFFFAOYSA-N	310.398	1.467	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)c2cccc(N(C)C)c2)cn1	788263018	UDRPTMWQFJJYEO-UHFFFAOYSA-N	313.361	1.264	50	20	DDGD	
O=C1CC[C@@H]2[C@H]1[C@H]2C(=O)NNc1nc(C(F)(F)F)cs1	896315040	OHZMYDCMWOYGFP-VXFFBNABSA-N	305.281	1.830	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1cc(Cl)c(OC)cc1C	788476975	ISIWZQJKPKDFNP-UHFFFAOYSA-N	306.771	1.377	50	20	DDGD	
CC(C)[C@@H]1OCCC[C@@H]1CNS(=O)(=O)CBr	782468973	RDNPBLUCDRPICM-ZJUUUORDSA-N	314.245	1.709	50	20	DDGD	
COc1cncc(C(=O)Oc2ccc([N+](=O)[O-])cc2OC)n1	790560796	GWGZPQBBFUKRCL-UHFFFAOYSA-N	305.246	1.621	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cccc(Cl)c1O	899995721	BWYGQLVDRJBWQC-UHFFFAOYSA-N	301.799	1.953	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42	795115958	PCMOPXGQGGPGCM-YXOMFIOFSA-N	322.372	1.190	50	20	DDGD	
Cc1ccccc1-n1nccc1C=NNC(=O)c1cnn(C)c1	794515833	VORFRLBSQUOQRM-UHFFFAOYSA-N	308.345	1.678	50	20	DDGD	
Cc1ccc([C@@H]2COCCN2S(=O)(=O)CBr)o1	272840045	SPSAJIXKLYWVFD-VIFPVBQESA-N	324.196	1.644	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1ccc(OCC(N)=O)cc1	792238239	ZBRVDSNBTWRWKM-UHFFFAOYSA-N	315.333	1.403	50	20	DDGD	
O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1n[nH]c2c1CCCC2	1317756675	RTUPQKHBQMFFIS-UHFFFAOYSA-N	303.278	1.554	50	20	DDGD	
C#CCOc1ccc(C(=O)NNc2nncc(N)c2Cl)cc1	1319406522	WRYOEXOVIMTCEN-UHFFFAOYSA-N	317.736	1.481	50	20	DDGD	
Cc1oc(C(C)C)nc1C(=O)NNc1nncc(N)c1Cl	1323017682	MOFXPNZLUJCUJN-UHFFFAOYSA-N	310.745	1.889	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1ccc(-c2cnn(C)c2)cc1	1328379174	OXDQCXBAGRBOSA-BLLLJJGKSA-N	312.373	1.962	50	20	DDGD	
Cc1nn(C)c(N)c1C=NNC(=O)c1cncn1-c1ccccc1	1324202426	QQPLXIFOLMPUPV-UHFFFAOYSA-N	323.360	1.260	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)N=c1cc[nH]cc1)c1ccc(F)c(F)c1	1321307050	OZNGQCKCBQICFL-SECBINFHSA-N	320.299	1.738	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1ccc(C(C)(C)C)nn1)C1CC1	1325361946	AVWLSTMGBSNYFN-NSHDSACASA-N	307.398	1.825	50	20	DDGD	
Cc1ncccc1CC(=O)NNC(=O)Cc1ccc(Cl)cc1	1321816413	YLWRJTZOYBFYMG-UHFFFAOYSA-N	317.776	1.976	50	20	DDGD	
CC(C)c1nn(C)c(Cl)c1C=NNC(=O)c1cccnn1	1333657177	OFZGHQKCPXJPPV-UHFFFAOYSA-N	306.757	1.751	50	20	DDGD	
CN(C)[C@@H]1CCCC(=NNC(=O)c2n[nH]c3c2CCCC3)C1	1339452873	HCXHENOBJCXROK-GFCCVEGCSA-N	303.410	1.879	50	20	DDGD	
CCOC(=O)c1ncc(C(=O)NN[C@@H](C)C(F)(F)F)s1	1331879175	QMUVWNXKCBMMON-YFKPBYRVSA-N	311.285	1.505	50	20	DDGD	
CC[C@@H](F)C(=O)NNc1c(OC)cccc1S(C)(=O)=O	1335861572	JZRHKHNWOSGOBS-MRVPVSSYSA-N	304.343	1.290	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=S)NCCSC)c1C	1337155297	DTOKLJNCOUDJOQ-UHFFFAOYSA-N	315.468	1.073	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1c(C)[nH]c2ccc(OC)cc12	1347798158	ZNRICRSMVAUPHA-UHFFFAOYSA-N	306.391	1.566	50	20	DDGD	
O=C(NCCC(F)F)NNC(=O)c1cc2c(s1)CCC2	1343241235	DKVIIDMMWITQAQ-UHFFFAOYSA-N	303.334	1.836	50	20	DDGD	
C[C@H]1CN2CCN1C[C@H]2C(=O)NNc1cc(Cl)ccc1F	1350145114	XEFXQVZHKJHWAN-ZANVPECISA-N	312.776	1.311	50	20	DDGD	
Cc1c(NC(=O)NNc2cnccn2)ccc(F)c1C(=O)O	1607547217	YPSUHWKLXZKNAR-UHFFFAOYSA-N	305.269	1.771	50	20	DDGD	
COc1cc(C(=O)NN=C(C)CCC(=O)O)cc(OC)c1OC	1607079611	IOFZJUOCHKNSPJ-UHFFFAOYSA-N	324.333	1.683	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cccc(CO)c2)c(F)c1	1602382858	GPXOUZCCIZEYKZ-UHFFFAOYSA-N	304.277	1.773	50	20	DDGD	
CC[C@@H](NC(=O)NNc1cccc(-c2nn[nH]n2)c1)C(F)F	1604047406	IXOGRZUAVOURJY-SECBINFHSA-N	311.296	1.537	50	20	DDGD	
O=C(Cc1ccc(C(=O)O)nc1)NNc1cccc(Cl)n1	1608362019	OPXNYFUWHRLEKH-UHFFFAOYSA-N	306.709	1.514	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1occ2c1CCOC2	1606528460	IKEVFUVLLRUIEV-UHFFFAOYSA-N	303.274	1.202	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2ccc3c(n2)OCCO3)c1	1602450108	JPYIOZHBJVZGPL-UHFFFAOYSA-N	315.285	1.308	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc2cncn2c1	1606861615	PHMNJNIPFZNJGW-UHFFFAOYSA-N	320.316	1.271	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)Nc1cc(F)c(C(=O)O)c(F)c1	1601561737	XOUPJZQRWONDNH-UHFFFAOYSA-N	308.244	1.629	50	20	DDGD	
C[C@@H]1COCCC1=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1609176775	FUDGBZKKZSAXJQ-SECBINFHSA-N	300.322	1.009	50	20	DDGD	
Cc1cc(NC(=O)NNc2ncccc2C)ncc1C(=O)O	1600271988	VQSHNOKVBVLWCZ-UHFFFAOYSA-N	301.306	1.940	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@@]23CCC[C@@H]2NCC3)c1	1578427666	YNFBCVMREDFDOJ-WMLDXEAASA-N	316.405	1.046	50	20	DDGD	
CCCCc1ccc(NC(=S)NNC(=O)CCNC)cc1	1573743298	VBJDOECMTWGEGI-UHFFFAOYSA-N	308.451	1.956	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@](C)(CN)CC(C)C)cc1	1579189573	DKKNSQQPENZERQ-INIZCTEOSA-N	307.394	1.467	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCCCC1)c1cc(C(=O)O)co1	1589010537	AWWVEAGYXOQDQH-LLVKDONJSA-N	321.377	1.940	50	20	DDGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)[C@H](F)C1CNC1	1580737341	OXIZYJPOGVWXKY-SNVBAGLBSA-N	316.789	1.215	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)Cc2ccccc2)C1	1842695971	MJPPJIXDWKSCME-CQSZACIVSA-N	324.783	1.967	50	20	DDGD	
O=C(O)CC1(C(=O)NNC(=O)c2cccc(Cl)c2)CCC1	1594976342	NDGAQSSNQQKCHH-UHFFFAOYSA-N	310.737	1.746	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNC(=O)c2ccc(C)o2)c1	1594288524	UPBJHWGISGCWGL-UHFFFAOYSA-N	302.286	1.669	50	20	DDGD	
CC(C[C@@H]1CCCN1C(=O)OC(C)(C)C)=NNC(=O)C(=O)O	1592464098	LMBSLNNQLGMGBT-JTQLQIEISA-N	313.354	1.353	50	20	DDGD	
O=C(/C=C\c1ccc(C(=O)O)o1)NNc1ncncc1Cl	1594672739	RRZZILBAJKCYLD-RQOWECAXSA-N	308.681	1.578	50	20	DDGD	
C[C@@]1(C(=O)Nc2cccc(CC(=O)O)n2)C[C@@H]1Br	1593761380	IMPXDWLUGHKFLF-QPUJVOFHSA-N	313.151	1.821	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CC[C@H]2C(=O)O)c(F)c1	1598982951	PWOGYGUELBGBDI-DTWKUNHWSA-N	310.281	1.166	50	20	DDGD	
O=C(Cc1ccccn1)NN=C1CCCc2ncc(C(=O)O)cc21	1776043389	LSDGTOFOCLVOFR-UHFFFAOYSA-N	324.340	1.574	50	20	DDGD	
C/C=C/C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](Cl)CC)CCO2	1783061995	BWCMWPWZLFHRGL-NSAARLCDSA-N	314.813	1.410	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(N)=O)c1C	5870095	QTQALXFXEFNHGK-ACLQVGRQSA-N	303.362	1.839	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(-c2ccccc2)n[nH]1	153189066	UBIVRYMVGZWULA-AWEZNQCLSA-N	314.345	1.407	50	20	DDGD	
CC(=O)NCc1ccc(C(=O)NNc2ccc(C#N)cc2)cc1	155112115	FEVBHRVQUCFAES-UHFFFAOYSA-N	308.341	1.951	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)C2(Cc3ccccc3)CC2)nn1	154333953	LUFHUOBQQLVRAW-UHFFFAOYSA-N	311.345	1.042	50	20	DDGD	
O=C(NNC(=O)c1cc(O)cc([N+](=O)[O-])c1)NC1CCCC1	274661500	VONWOYSSVLWXEQ-UHFFFAOYSA-N	308.294	1.187	50	20	DDGD	
COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Cl)cc1	160174573	AVXLEODCLORNSN-VXGBXAGGSA-N	461.905	4.912	50	20	DDGD	
CC(C)CN(CC(N)=O)S(=O)(=O)c1ccc(CCl)cc1	312938833	ZJJIBNUYCILIAQ-UHFFFAOYSA-N	318.826	1.557	50	20	DDGD	
COCC[C@H](C)NC(=O)NNC(=O)c1c(C)nc2ccccn12	101613241	RAVYEARJYHTIFQ-JTQLQIEISA-N	319.365	1.012	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccc(C)o2)c1OC	103400517	MHLBIHRPMAXICY-UHFFFAOYSA-N	304.302	1.680	50	20	DDGD	
COc1ccccc1[C@H](C)CC(=O)NNC(=O)[C@@H]1CCCO1	103069807	XIZMFBSFCHXEFZ-RISCZKNCSA-N	306.362	1.515	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cnc(-c2ccccc2F)s1	113423403	JCGIGWUKQZLWCP-UHFFFAOYSA-N	322.365	1.272	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1ccc[nH]1)c1nc(C)cs1	105307402	IEWBRZVPWNEESW-SECBINFHSA-N	307.379	1.875	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1cccc2c1OCCO2	118499088	JJUOMINGITXYOY-UHFFFAOYSA-N	306.709	1.658	50	20	DDGD	
CC[C@@H](OC1CCCC1)C(=O)NNC(=O)CNc1ccccc1	113414394	DUWCKXGEWFKHRC-OAHLLOKOSA-N	319.405	1.984	50	20	DDGD	
COc1cccc(CCCNC(=O)NNC(=O)[C@H]2CCCO2)c1	67423372	KGPGHVZSLKHVBB-CQSZACIVSA-N	321.377	1.137	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)NC(C1CC1)C1CC1	60996886	JJWKGCGVHJBIRA-UHFFFAOYSA-N	317.389	1.975	50	20	DDGD	
Cc1nc2c(cnn2C(C)C)cc1C(=O)NNc1cnccn1	114881441	XLPPDSBOHFDTSZ-UHFFFAOYSA-N	311.349	1.868	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])c(C)c2)o1	175829945	REGPUXPIYXVYIB-UHFFFAOYSA-N	303.274	1.879	50	20	DDGD	
COc1ccc(C)cc1-n1ccc(C(=O)NNC(=O)C2CC2)n1	65529850	RBCIJVDPROBLFR-UHFFFAOYSA-N	314.345	1.360	50	20	DDGD	
COC[C@H](NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C)C1CC1	122552469	RVANMCDWYJNFSG-CQMBDMNQSA-N	312.373	1.653	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc(OC(C)C)n2)o1	123148149	XRWAYIGTIVFFDS-UHFFFAOYSA-N	303.318	1.845	50	20	DDGD	
COc1ccc(NNC(=O)NCCCc2cn[nH]c2C)nc1	122358676	CLANCNHUBQZDMU-UHFFFAOYSA-N	304.354	1.381	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(C)cc(C)c1Br	123065100	YDEDAVQGJMGDJU-UHFFFAOYSA-N	300.156	1.640	50	20	DDGD	
COc1cc(C(=O)NNc2ncccn2)cc([N+](=O)[O-])c1C	188009192	OYGGOGKCAWPVHD-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccccc1-n1ccnn1	183703074	UAQYWAPFJDVABL-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
COC[C@H](C)n1ccc(NC(=O)NNc2nc(C)cc(C)n2)n1	189811134	GXYABKDRNTVTRP-NSHDSACASA-N	319.369	1.646	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cccc(-n2cccn2)n1	76558514	QUHLQCKHVNZQNA-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
CC1(C)C[S@@](=O)CCN1S(=O)(=O)CCCCCl	189196683	HXXPLVBTUPXOKE-INIZCTEOSA-N	301.861	1.178	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)n1	180666482	XGHWUGONEPGWRV-GFCCVEGCSA-N	318.377	1.182	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)C(C)(C)C)cc(C)c1F	78237367	DZQPALUVZYGKBP-UHFFFAOYSA-N	302.371	1.798	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)Cc1c[nH]c2ccccc12	73302059	LVQKIEVUJBPPGT-UHFFFAOYSA-N	322.368	1.970	50	20	DDGD	
CCO[C@@H](C)C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	79032260	WGZDNNGIGWECQD-JTQLQIEISA-N	302.334	1.263	50	20	DDGD	
COc1cccc(CC(=O)NNC(=O)NC2CCCCC2)c1	192750471	UFXPDJSQHRRETD-UHFFFAOYSA-N	305.378	1.901	50	20	DDGD	
O=C(C[C@@H]1CCCCO1)NNc1nc2ccccc2c(=O)[nH]1	137195197	WCBHNXDJRIWHTH-JTQLQIEISA-N	302.334	1.325	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2N)c(C)o1	195125748	VCLQROGOUDSJMH-UHFFFAOYSA-N	318.289	1.462	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cccc(-n2cccn2)c1	81025573	RAINZNGYAXBBEY-UHFFFAOYSA-N	321.340	1.271	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)Cc1ccoc1	130974725	YXYIILZNEGTSIY-UHFFFAOYSA-N	306.343	1.467	50	20	DDGD	
CC(C)C[C@@H](CCO)CNC(=O)NNc1cncc(Cl)n1	85416138	DCRHMDWZTKPNBJ-SNVBAGLBSA-N	315.805	1.801	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCn2cccc2)cc1	84457055	PHAQVUZWCSNWPJ-UHFFFAOYSA-N	300.362	1.695	50	20	DDGD	
CC(=O)NNC(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1	193005653	AWQQJFXVJKPQRJ-VXGBXAGGSA-N	305.378	1.077	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(CN(CC)CC)o1	191962446	RXXDCUGBABFFFE-UHFFFAOYSA-N	305.378	1.686	50	20	DDGD	
O=C(NN=Cc1ccc(O)c(O)c1)c1ccc2c(c1)OCO2	254761688	WLIQREROCALVTC-UHFFFAOYSA-N	300.270	1.590	50	20	DDGD	
Cn1cc(CCCNC(=O)NNc2ccc(Cl)nc2)cn1	266855968	RHDFPPIHHVFWCN-UHFFFAOYSA-N	308.773	1.727	50	20	DDGD	
O=C(Cc1coc(-c2cccs2)n1)NNC(=O)NC1CC1	264330519	VBCBYNIDDIFWIN-UHFFFAOYSA-N	306.347	1.438	50	20	DDGD	
COc1ccnc(NNC(=O)CSC[C@H]2CCCCO2)n1	263863655	UKOSBRHAVFFXDR-SNVBAGLBSA-N	312.395	1.231	50	20	DDGD	
C[C@H]1CCC[C@@H](NC(=O)NNC(=O)COc2ccccc2O)C1	264551531	CWAOSPRHWBWSMI-NWDGAFQWSA-N	321.377	1.680	50	20	DDGD	
CC(C)(NC(=O)Nc1ccccc1)C(=O)NNC(=O)C1CCC1	266869563	XCBIRFRPVIKRLX-UHFFFAOYSA-N	318.377	1.534	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NC2CC2)c(O)nc2ccccc12	267216535	UNWMYLRBXOTZRK-UHFFFAOYSA-N	300.318	1.355	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1cccc([N+](=O)[O-])c1	269628332	STSJALJROJEMKY-UHFFFAOYSA-N	310.310	1.516	50	20	DDGD	
C[C@H](CCC(C)(C)C)C(=O)NNc1nc(O)c2cnn(C)c2n1	273420795	JUBGFUHDFIHRSL-SECBINFHSA-N	320.397	1.974	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1cccc(NC(=O)C2CC2)c1	273364008	WRDNZODEHGGENO-UHFFFAOYSA-N	316.361	1.988	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccccc1OC(F)(F)F	272670770	KOWNYLIJLJPTKB-UHFFFAOYSA-N	305.256	1.891	50	20	DDGD	
C=C(C)[C@@H](CC(=O)NNc1ccc(C(=O)OC)cn1)OCC	270403461	WDSFUMXQPFYYTH-GFCCVEGCSA-N	307.350	1.683	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1cc(C)cc(C)c1	272333421	KXNYISOCXKQTPM-LBPRGKRZSA-N	309.366	1.508	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)NO[C@@H]1CCCCO1	275078056	DDQSYNFTDAPKSK-SECBINFHSA-N	309.351	1.776	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](C)CC(=O)c1ccccc1F	272666164	JBIWIGCJTNMKLX-SNVBAGLBSA-N	309.341	1.727	50	20	DDGD	
Cc1ccnc2c1NC(=O)CN2S(=O)(=O)CCCCCl	375246875	ZTJYXFANQMONIZ-UHFFFAOYSA-N	317.798	1.497	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)cc1	274036443	DYIKAEPUTYRHES-UHFFFAOYSA-N	321.377	1.607	50	20	DDGD	
Cn1ncc2c1C[C@H](C(=O)NNC(=O)NC1CCCCC1)CC2	281460893	FSDIHLPMMHAPQS-LLVKDONJSA-N	319.409	1.188	50	20	DDGD	
CSSCCNC(=O)N[C@H](C)c1nnc2n1CCC2	285313495	HQJVISRYFFYGQY-MRVPVSSYSA-N	301.441	1.596	50	20	DDGD	
C=CC[C@@H](CC)NC(=O)NNC(=O)COc1ccccc1O	281425446	RCULTCZFVYVANM-LLVKDONJSA-N	307.350	1.456	50	20	DDGD	
CC(C)SCCNC(=O)NNc1ccc(-n2ccnc2)nn1	287354492	NEUCYXRGFWIELQ-UHFFFAOYSA-N	321.410	1.430	50	20	DDGD	
CSSCCNC(=O)c1c(C)oc2ncn(C)c(=O)c12	284286722	ZDWFPKBRTCBSDF-UHFFFAOYSA-N	313.404	1.576	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)N(C)C)c1cccc(Br)c1	291904940	LPSHAHYSTCOPON-MRVPVSSYSA-N	314.183	1.855	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)[C@H]1CC1(F)F	295512516	LQWRLBHZSBGSQC-SSDOTTSWSA-N	302.302	1.287	50	20	DDGD	
O=C(Cc1cccc(F)c1F)NNC(=O)N=c1cc[nH]cc1	802028802	CEKVDRBLUDQQDF-UHFFFAOYSA-N	306.272	1.177	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H]1CCCN1C(=O)c1ccccc1	294342938	HVJOYSQAIMFRKE-CQSZACIVSA-N	317.389	1.485	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccc1	295392302	LOIUURHTMIYQLB-UONOGXRCSA-N	306.362	1.481	50	20	DDGD	
N#Cc1cc(O)cc(C(=O)NNc2nc(O)c3ccccc3n2)c1	809715378	AQTLQYJVPLIYES-UHFFFAOYSA-N	321.296	1.670	50	20	DDGD	
CC[C@@H](C)[C@@H](CNC(=O)NNC(=O)Cc1ccncc1)OC	297715018	IGOAYTGAKCNUBC-DGCLKSJQSA-N	308.382	1.016	50	20	DDGD	
CC[C@@H](C)[C@H](CNC(=O)NNC(=O)Cc1ccncc1)OC	297715021	IGOAYTGAKCNUBC-YPMHNXCESA-N	308.382	1.016	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNc1cccc(S(C)(=O)=O)c1	803038609	VPQHMHBTLMNVSJ-UHFFFAOYSA-N	307.375	1.738	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)NC[C@H]2CCOC[C@@H]2C)c1	297981886	MRSQMKAPAINNFJ-WCQYABFASA-N	320.393	1.944	50	20	DDGD	
C[C@@H](C[S@](C)=O)NC(=O)NNc1cc(C(F)(F)F)ccn1	296667104	OKBXGENBQAHBBQ-SGWXMTNESA-N	324.328	1.494	50	20	DDGD	
COc1ccccc1[C@@H](C)CC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	294403413	XQKXUFUXCMBFAT-HUBLWGQQSA-N	320.389	1.904	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1ccccc1OC(F)F	802025467	HTKXKDDVIVEQAB-UHFFFAOYSA-N	322.271	1.571	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNC(=O)C(C)C)c(Cl)cc1F	806974325	FDQPNWADWLKROU-UHFFFAOYSA-N	315.732	1.529	50	20	DDGD	
O=C(NNc1ccncn1)Nc1ccc(O[C@@H]2CCOC2)cc1	296695149	DMQPVZWDYVCDKK-CYBMUJFWSA-N	315.333	1.793	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccccc1Oc1cnn(C)c1	801104352	KIOWGVLIRVTJGW-UHFFFAOYSA-N	302.334	1.629	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNc2ccncn2)CCOCC1	296172960	LNXSGOVXXQWGTM-UHFFFAOYSA-N	312.373	1.977	50	20	DDGD	
Cc1cc(F)c(C(=O)NNC(=O)N=c2cc[nH]cc2)cc1F	802026916	XYOUSEYTVWLVIG-UHFFFAOYSA-N	306.272	1.557	50	20	DDGD	
Cc1c(C(=O)NNc2cccc(F)n2)cnn1-c1ccccn1	804773171	FYFTWOVTVYJOTO-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
Nc1c(Cl)c(Cl)nc(C(=O)NN=C2COC2)c1Cl	814736849	VSXGVLUDLQDVHT-UHFFFAOYSA-N	309.540	1.740	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1cnn2c(-c3ccccc3)ccnc12	816632832	AUBKRHSNUUJVOH-UHFFFAOYSA-N	320.316	1.271	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc2c(c1)C(=O)CCCC2	817348034	FLWGLYIEQOMGHJ-UHFFFAOYSA-N	305.334	1.395	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@@H]2CCCSC2)cc1	810007287	GGWZPOYEVDZLFO-LLVKDONJSA-N	323.418	1.398	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NN=C2COCCOC2)cc1	814747784	VDZFUKCVRJRTDK-GFCCVEGCSA-N	322.361	1.372	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)c2cc3c(s2)CCC3)c(C)o1	814215311	OFNAWGCTEHKJFZ-UHFFFAOYSA-N	305.359	1.916	50	20	DDGD	
O=C(CCc1cncs1)NNC(=S)Nc1ccccn1	814413930	OVBUALVAKHFHSQ-UHFFFAOYSA-N	307.404	1.489	50	20	DDGD	
N#Cc1ccc(NNC(=O)C[C@H]2CCCS(=O)(=O)C2)cc1	815851733	RVZGLXQJZVHEGN-GFCCVEGCSA-N	307.375	1.216	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1CCCSC1	810385399	RKEKXBJCLMQYMG-SNVBAGLBSA-N	314.432	1.676	50	20	DDGD	
O=C(CNc1ccccc1F)NN=C1CCC(C(=O)O)CC1	814713196	FDOJXDCVAJUQLX-UHFFFAOYSA-N	307.325	1.985	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@H](C)c1ccc(Br)s1	823951737	MODOQIAIRSZILA-YUMQZZPRSA-N	321.240	1.958	50	20	DDGD	
Cc1cc(C)cc(-n2nc(C(=O)NN(C)[C@H](C)CO)cc2C)c1	823939331	JCPLHTSROIWIPI-CQSZACIVSA-N	316.405	1.755	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccc(Cl)cc1	728436600	RJQFEVMHBOXKEL-SECBINFHSA-N	317.798	1.118	50	20	DDGD	
Cc1ccc(C=NNC(=O)C2CCN(c3ncccn3)CC2)o1	728783148	APCOVVJKIQPUCO-UHFFFAOYSA-N	313.361	1.745	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)NNc1cnccn1	495471860	CLLUJNHYDGYZDB-QWRGUYRKSA-N	321.381	1.613	50	20	DDGD	
CSC[C@@H]1CCCN(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)C1	827269436	XRJPPDLFPFJMKG-UTUOFQBUSA-N	315.439	1.227	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2C[C@H]2c2sccc2C)nc(N)n1	828371837	OLONEEMWKVKJDG-NXEZZACHSA-N	303.391	1.984	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)c1c(C)nc2ccccn12	822234159	GTWICPSPUMYAGK-NSHDSACASA-N	304.350	1.219	50	20	DDGD	
CCN1CCC(CNC(=O)NNC(=O)c2ccccc2O)CC1	726280905	ZKCAJSYKBDZNPC-UHFFFAOYSA-N	320.393	1.068	50	20	DDGD	
CCc1ncc(S(=O)(=O)NN(C)C(=O)OC(C)(C)C)s1	496607952	RXDHHEWBKIMIOD-UHFFFAOYSA-N	321.424	1.766	50	20	DDGD	
CCN(CCO)NC(=O)c1cn2cc(Cl)cc(Cl)c2n1	823884884	NSMCMYSDKVUHQE-UHFFFAOYSA-N	317.176	1.600	50	20	DDGD	
CO[C@@H](C)CCNC(=O)NNC(=O)COc1ccc(C)c(C)c1	726713180	BRIICYUZJUYUHJ-ZDUSSCGKSA-N	323.393	1.438	50	20	DDGD	
CCCNC(=O)NNC(=O)/C=C\c1ccc(OC)c(OC)c1	491322868	WYLSSBTYPIIXPV-VURMDHGXSA-N	307.350	1.457	50	20	DDGD	
C[C@H](NC(=O)c1cc(B(O)O)ccc1F)[C@H]1C[C@H]2CC[C@H]1C2	584927480	SEQXJANLOGWKLN-MRBYEJRBSA-N	305.158	1.060	50	20	DDGD	
CCOCC(=O)NN[C@H](C(=O)O)c1ccc(Cl)cc1Cl	829938719	GNXYLXFLTXELJX-NSHDSACASA-N	321.160	1.776	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccn(-c2ccc(F)cc2F)n1	496761162	VKPHKHMOAIWBOW-UHFFFAOYSA-N	310.260	1.494	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cnn2c1CCC2	827840579	UJSUVXCSLDZDOO-UHFFFAOYSA-N	300.318	1.373	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCCC[C@H]2c2ccnn2C)cn1	491046531	HFZFMHAOFNNUAF-MBSJSRAVSA-N	324.388	1.814	50	20	DDGD	
CCNC(=O)C(C)(C)CNC(=O)[C@]1(C)C[C@@H]1Br	907083798	DLLJEBUFKOCLJG-QPUJVOFHSA-N	305.216	1.438	50	20	DDGD	
COC(=O)NNC(=O)c1cn(C)nc1-c1ccc(Cl)s1	492818487	JOHLUTXVISDXJH-UHFFFAOYSA-N	314.754	1.803	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)/C=C/c3ccccc3)nc21	492202877	MGCGTDHZPCEHOQ-BQYQJAHWSA-N	310.317	1.225	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc2c(O)nc(S)nc2c1	732292320	MAHGQLXMGUGLST-UHFFFAOYSA-N	318.358	1.185	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NNc1ccncn1	496961450	IPNXQWPBLFQIML-LLVKDONJSA-N	323.397	1.955	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)NCCN1CCOCC1	905153484	OSNYINGPKMMDNG-UHFFFAOYSA-N	312.801	1.607	50	20	DDGD	
CC(C)C1(C(=O)NNc2cccc(Br)n2)COC1	822242995	GCJISRAJQPYJKS-UHFFFAOYSA-N	314.183	1.960	50	20	DDGD	
COCCN(C)NC(=O)c1cc(-c2c[nH]c3ccccc23)[nH]n1	908116046	WDRUTPZLJNMGJO-UHFFFAOYSA-N	313.361	1.781	50	20	DDGD	
CN1C(=O)CC[C@H]1CC(=O)NNC(=O)c1cc2ccccc2o1	829719447	LMOJSIJNTWSUCJ-NSHDSACASA-N	315.329	1.205	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NN(C)C(=O)OC)c(C)c1	496818802	UZSXXYAEIWJHCG-UHFFFAOYSA-N	302.352	1.285	50	20	DDGD	
CCO[C@H](CC(=O)Nc1cccc(B(O)O)c1)C1=CCCC1	584910544	CEVPUZFYFIIEII-OAHLLOKOSA-N	303.167	1.210	50	20	DDGD	
CCC[C@H](CNC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)OCC	491176610	QQBFFDUJQLBPCU-PFLCFFIHSA-N	318.377	1.423	50	20	DDGD	
O=C(NCc1ccn(-c2ccccc2)n1)NNc1cccnn1	737036062	AHEIFUVIOXIEJO-UHFFFAOYSA-N	309.333	1.489	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2	837659557	YIBQBCWIIBVNIC-CYZMBNFOSA-N	316.357	1.000	50	20	DDGD	
C[C@@H](Sc1ccccc1Cl)C(=O)N1CC[C@@H](B(O)O)C1	585068972	JWZDROLVBVHRQV-NXEZZACHSA-N	313.615	1.896	50	20	DDGD	
CCCCOC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1cnn(C)c1	837971617	PUKCFWZPOCWJLR-ZTFCMROMSA-N	305.334	1.602	50	20	DDGD	
O=C(NNS(=O)(=O)c1cccc(Cl)c1)[C@@H]1CCCCO1	830028294	IICWWHKQWXJYKZ-NSHDSACASA-N	318.782	1.219	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1ccccc1OC1CCC1	735655602	GVKUQNISGIFRMW-UHFFFAOYSA-N	319.361	1.305	50	20	DDGD	
NCCCCCCNC(=O)NNC(=O)c1cccc(Cl)c1	831248561	IRYQJANBZARAAU-UHFFFAOYSA-N	312.801	1.803	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NNC(=O)C2CCC2)C1	732142344	XDXVCWILBLUKOT-YPMHNXCESA-N	309.410	1.219	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)CSc1ccccc1	732052364	KWJXHUGIMGZVSK-LLVKDONJSA-N	323.418	1.087	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2n[nH]c3c2CCC3)cc1F	837052072	WKGLYAHPIWZTPB-UHFFFAOYSA-N	318.308	1.581	50	20	DDGD	
CCCSCC(C)=NNC(=O)CNC(=O)c1cccnc1	901198844	MNSSXJPLLBPXNI-UHFFFAOYSA-N	308.407	1.447	50	20	DDGD	
O=C(NNc1ccc(F)cc1Br)[C@@H]1C[C@H]1[N+](=O)[O-]	839708863	MKTPLIDPTOPZNT-HZGVNTEJSA-N	318.102	1.697	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)N[C@H]1CC12CCOCC2	836613253	QBRNHTFMNBTSQQ-ZDUSSCGKSA-N	321.352	1.268	50	20	DDGD	
NC(=O)N1CC[C@@H](NC(=O)CCCC[C@@H]2CCSS2)C1	733971758	MRDXJWAKZMVPEM-GHMZBOCLSA-N	317.480	1.970	50	20	DDGD	
CCn1ccnc1C(C)=NNC(=O)c1ccc2c(c1)OCCO2	834937182	LZLIBWDRQKJYDD-UHFFFAOYSA-N	314.345	1.828	50	20	DDGD	
C[C@@H](C(=O)O)n1cccc1C=NNC(=O)Cc1ccc(F)cc1	833407139	LDCKQXWGUDDOIE-NSHDSACASA-N	317.320	1.966	50	20	DDGD	
CCN(CC(=O)NNc1cccc(Br)n1)C1CC1	837212625	SUHDOHBCJPQWNZ-UHFFFAOYSA-N	313.199	1.772	50	20	DDGD	
Cc1cc(C)c(NC(=O)NNC(=O)c2c[nH]nc2C)c(C)n1	836633191	TVDDQUNOHZIPAW-UHFFFAOYSA-N	302.338	1.505	50	20	DDGD	
O=CN1CCC[C@H]1C(=O)NNc1ccc(C(F)(F)F)cc1	830797421	NYKVYVUDIGFUBN-NSHDSACASA-N	301.268	1.769	50	20	DDGD	
O=C(NCCOCC1CCCC1)NNC(=O)[C@H]1CCCCO1	836671501	DKMRZZUDTIAENY-CYBMUJFWSA-N	313.398	1.093	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@]1(C)CCCCO1	838437260	QRGXLSCFXHEYKW-NHYWBVRUSA-N	314.382	1.071	50	20	DDGD	
O=C1CC[C@@H](CC(=O)NNc2nccc3sccc23)CN1	839683004	KOLAVIOUYWQOPV-VIFPVBQESA-N	304.375	1.656	50	20	DDGD	
COc1cccc(OCCCNC(=O)NNC(=O)C2CCC2)c1	738501497	WWSJCMJASMYYDU-UHFFFAOYSA-N	321.377	1.595	50	20	DDGD	
CC(=O)OCC(C)(C)CC(=O)NNc1cccc(C(=O)O)c1	833399923	HFRGGBDPVCZURG-UHFFFAOYSA-N	308.334	1.807	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2C[C@@H]3CCCCN3C2=O)nc1	836692421	WGNJUBYWBACPKI-NWDGAFQWSA-N	303.366	1.170	50	20	DDGD	
COCC1(C(=O)NNc2ccc(C(=O)OC)c(F)c2)CCC1	837059524	VWZQGPUADXVGSD-UHFFFAOYSA-N	310.325	1.872	50	20	DDGD	
C[C@H](Cc1ccsc1)NC(=O)NNC(=O)[C@@H]1CCCCO1	836248352	FIJMHTUQXRKYDZ-PWSUYJOCSA-N	311.407	1.579	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](OC)c2cccc(OC)c2)nc1	832650324	XRQOHMWARDVFBF-HNNXBMFYSA-N	317.345	1.930	50	20	DDGD	
O=C(NNc1nc[nH]n1)C1(CCOCc2ccccc2)CC1	839769409	LIGCDIQYGAXUSC-UHFFFAOYSA-N	301.350	1.635	50	20	DDGD	
NC(=S)c1ccc(C(=O)NNC(=O)CC(F)(F)F)cc1	918703782	KJUNRWRHPMCTSQ-UHFFFAOYSA-N	305.281	1.034	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2CCCN3CCCC[C@@H]23)n1	848402751	KEVNJOGBXIXRAL-HNNXBMFYSA-N	303.410	1.620	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@H](C)n2ccnc2)c(F)c1	846251337	HFDOURCEEGGPQB-JTQLQIEISA-N	320.324	1.903	50	20	DDGD	
COCC1(CC(=O)NNc2nc3ccccc3c(=O)n2C)CC1	843799598	YTFLXARMFGQYCB-UHFFFAOYSA-N	316.361	1.193	50	20	DDGD	
Cc1ccncc1C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	741930315	ZPZNAAKCUZRDRH-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
Cc1nc(O)c(C(=O)NNC(=O)C2CC2)cc1-c1ccccc1	749865163	YDHDHQFWSWWVOG-UHFFFAOYSA-N	311.341	1.934	50	20	DDGD	
COc1cccc(F)c1C(=O)NNC(=O)c1cccc(C#N)c1	746217316	BQBIKTXKDGJWEX-UHFFFAOYSA-N	313.288	1.781	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cccc(OC)c1F	848449654	UUKZXBLQVOQSPO-MRVPVSSYSA-N	304.343	1.190	50	20	DDGD	
COc1cccc(OCC(=O)NNc2cc(Cl)nc(C)n2)c1	748338467	FKMCATRGOPUSOR-UHFFFAOYSA-N	322.752	1.969	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)CCCN)cnn1-c1ccccc1	841154731	GKNBADWYXTXBAG-UHFFFAOYSA-N	316.365	1.072	50	20	DDGD	
Cc1ccsc1CCCC(=O)NNC(=O)CN1CCCC1=O	913731735	UISLUIXWSSCPPC-UHFFFAOYSA-N	323.418	1.149	50	20	DDGD	
CC(=NNC(=O)C(=O)NC(C)C)c1ccccc1OC(F)F	744812652	PUEZGAHIVZRTRP-UHFFFAOYSA-N	313.304	1.653	50	20	DDGD	
COC(=O)[C@H](NS(=O)(=O)c1ccc(CCl)cc1)C1CC1	914210266	OSQJLWCVVKDWSN-GFCCVEGCSA-N	317.794	1.655	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1c(C)nn(C(C)C)c1C	748260452	TZFRQGKQUGLULL-AWEZNQCLSA-N	324.425	1.973	50	20	DDGD	
CC(C)(C)OC(=O)[C@]1(C(=O)NNc2ccncn2)CC=CCC1	846235834	IXUDMLWIUCBCRP-MRXNPFEDSA-N	318.377	1.988	50	20	DDGD	
O=C(NNc1ccncn1)[C@H](C[C@@H]1CCCO1)C(F)(F)F	846237010	YNDSQSDSMXUFAP-IUCAKERBSA-N	304.272	1.667	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1cc(Br)nn1C	842559314	IXXPVPSYADHEKR-APPZFPTMSA-N	315.171	1.058	50	20	DDGD	
CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)NN)c1	841023563	MWXQOTDXSWWIDW-UHFFFAOYSA-N	314.411	1.329	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCCCCC#N)cc1	844959275	XBFXIWUBEDCDBH-UHFFFAOYSA-N	304.350	1.722	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)Cn2nc(C)cc2C)cc1	846370280	IHNQWXMKGYWOQF-UHFFFAOYSA-N	316.361	1.359	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)Cc1c[nH]c2ccccc12	742478937	XPJGKNXCKQLHAM-UHFFFAOYSA-N	315.373	1.841	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNC(=O)[C@H]1CCCCO1)c1cnn(C)c1	927418923	GHMDPWUYNKLJMV-CHWSQXEVSA-N	323.397	1.017	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)[C@@H](C)NC(=O)OC(C)(C)C	842556490	BGMDZQNKUXRWEU-YUSALJHKSA-N	313.398	1.817	50	20	DDGD	
CCC[C@H](O)C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	929290920	HITJOLUYWJQJMH-OLZOCXBDSA-N	308.378	1.379	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)CCOC1	754345730	IUVMZTVQRFVWMQ-MRXNPFEDSA-N	315.329	1.529	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1	753038502	PEWVNPYJKJPCDL-SNVBAGLBSA-N	324.337	1.331	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CC(=O)NNC(=O)CC(F)(F)F	754230193	UBANSUSAMWSPHV-ZCFIWIBFSA-N	307.272	1.885	50	20	DDGD	
N#Cc1csc(C(=O)NNC(=O)COc2ccc(F)cc2)c1	752398970	NTRSZESUVRHNKS-UHFFFAOYSA-N	319.317	1.599	50	20	DDGD	
O=C(NCCO[C@H]1CCOC1)NNc1cccc(F)c1Cl	927523650	FMRRQJYVUYWSHX-VIFPVBQESA-N	317.748	1.911	50	20	DDGD	
Cc1nn(C)c(-n2ccnc2C)c1C(=O)NCCCSC#N	854359480	MIFDZJJZCQEQHP-UHFFFAOYSA-N	318.406	1.557	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)c2ccc(C#N)o2)C[C@H]1Br	856752006	FXSZQEWQMUAZIY-SCZZXKLOSA-N	319.180	1.603	50	20	DDGD	
CC(C)(C)N1C[C@@H](C(=O)NN=c2cc[nH]cc2Cl)CC1=O	757421557	GCDOLOWGHJCOAP-VIFPVBQESA-N	310.785	1.247	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cccc(Cl)c1O)C1CC1	855099096	RFHLUVWIXIUQTH-SSDOTTSWSA-N	313.810	1.953	50	20	DDGD	
CCSC1(CNC(=O)NNC(=O)c2cccc(F)n2)CC1	852625458	SCVAJISCWXEJEC-UHFFFAOYSA-N	312.370	1.450	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)c2cccc(N)c2)C[C@@H]1Br	856752405	IVXNHUZWYDCEOZ-QWRGUYRKSA-N	319.224	1.721	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)C[C@@H]1Br	857385925	NUQJQRBBDLJIGZ-DVLJTBHHSA-N	300.196	1.891	50	20	DDGD	
COC(=O)CCCNC(=O)NNc1cccc(C(=O)OC)c1C	853233148	AAGPTWAUBBCZNZ-UHFFFAOYSA-N	323.349	1.361	50	20	DDGD	
CCC[C@H](CNC(=O)NNC(=O)[C@H]1CCCCO1)OCC	858683925	YHUNNCYIJABYHS-VXGBXAGGSA-N	301.387	1.091	50	20	DDGD	
COCCCOCCC(=O)NNc1cccc(C(F)(F)F)n1	857134289	OQXBXTPHLSLSHP-UHFFFAOYSA-N	321.299	1.987	50	20	DDGD	
COC[C@@H]1COCCN1S(=O)(=O)c1ccc(CCl)cc1	922056208	KAXOXZMNTJVJTC-GFCCVEGCSA-N	319.810	1.461	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1ccn(CC(F)F)n1	756867968	NZALSWNSILRPKS-UHFFFAOYSA-N	303.313	1.737	50	20	DDGD	
CC1(CNC(=O)NNC(=O)COc2ccccc2C#N)CC1	753017913	CFAXSTVKECXDQW-UHFFFAOYSA-N	302.334	1.068	50	20	DDGD	
CCC(=O)N1CCC[C@@H](C(=O)NNc2ncc(Cl)cn2)C1	857355662	IDAOLAOKLSGMEU-SECBINFHSA-N	311.773	1.222	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc(Cl)cc2F)C1	858984352	PIKSAOITFDAVSX-KYZUINATSA-N	315.732	1.601	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)c1cc(C)cs1)[C@H]1CCCO1	858371428	ZYQDGNGIUFBXQG-WDEREUQCSA-N	307.375	1.181	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccc3c(c2)OCO3)sn1	756857082	NXCVZYSYWANZSO-UHFFFAOYSA-N	320.330	1.647	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNc1cccc(C(=O)OC)c1C	855625323	DFIDIKJBKPFLLM-UHFFFAOYSA-N	316.361	1.834	50	20	DDGD	
Cc1ccnc(NNC(=O)C2CCC(C(=O)N(C)C)CC2)c1	857149556	WSFMJLKXHGGKBG-UHFFFAOYSA-N	304.394	1.728	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cnc3n2CCC3)cc1	854380046	WPUZBPWGGYISCA-UHFFFAOYSA-N	315.333	1.304	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C	854930007	ZPJVRSGZUVWOBB-SECBINFHSA-N	315.826	1.883	50	20	DDGD	
C#CCN1CCC[C@H](NC(=O)/C(C#N)=C/c2ccc(O)cc2)C1	923567377	YLKDRLFMKZPPFM-SFKKXYGYSA-N	309.369	1.513	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2cncn2C1)NC1CCCCC1	854192010	DHTQICWEZFNUTL-NSHDSACASA-N	305.382	1.109	50	20	DDGD	
COc1ccc(C)cc1CC(=O)NNC(=O)c1ccc(C)o1	752523480	YHCGBMFTLYWGOA-UHFFFAOYSA-N	302.330	1.909	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(=O)Nc2ccccn2)c(C)s1	758828357	RVTWQUNPJBRRSP-UHFFFAOYSA-N	318.358	1.160	50	20	DDGD	
Cc1ccccc1COCC(=O)NNC(=S)N[C@H](C)C1CC1	857723983	APOCNSOUFVBEHI-GFCCVEGCSA-N	321.446	1.805	50	20	DDGD	
N#CSCCCNC(=O)[C@@H]1CSC(c2ccccc2O)=N1	854360451	OPCZUXOBECVHPJ-NSHDSACASA-N	321.427	1.975	50	20	DDGD	
COc1nccc(NC(=O)NC[C@]2(C)C[C@@H]2Br)n1	856860112	QZBKYBILGHEMLL-CPCISQLKSA-N	315.171	1.780	50	20	DDGD	
Cc1nc(C=NNC(=O)[C@@H](C)CN2CCC(C)CC2)[nH]c1C	853278579	DBRWBNCUFKPKKI-LBPRGKRZSA-N	305.426	1.845	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)Cc1occc1C	856792123	HINNCRBTVYMSGS-UHFFFAOYSA-N	317.345	1.399	50	20	DDGD	
Cn1ncc(C2CC2)c1C(=O)NNc1ccccc1[N+](=O)[O-]	854144813	HUDKAARFEIGFEL-UHFFFAOYSA-N	301.306	1.963	50	20	DDGD	
C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)NNc1ccccn1	852706426	MXWOGUKEQVUNNW-LLVKDONJSA-N	323.397	1.963	50	20	DDGD	
COCCOCc1ccc(C=NNC(=O)c2cc[nH]n2)cc1	853391759	BBMUOYOSALGGKI-UHFFFAOYSA-N	302.334	1.337	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)/C=C\c1ccc(O)cc1	854386204	LTAXAUACIGKSJP-FLIBITNWSA-N	322.361	1.342	50	20	DDGD	
Cc1cc(F)cc(C(=O)NNC(=O)C2CCCC2)c1[N+](=O)[O-]	758413290	WDHQJXWOQLHKFD-UHFFFAOYSA-N	309.297	1.994	50	20	DDGD	
CN(C)C(=O)CCCC(=O)NNc1ccc([N+](=O)[O-])cc1F	855621372	QAYOGEWBGWFHTC-UHFFFAOYSA-N	312.301	1.436	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1cnc2c(c1)CCCC2	757996600	UXHHCHMYHONXDN-UHFFFAOYSA-N	311.345	1.822	50	20	DDGD	
Cc1cc(=NC(=O)NNC(=O)C(C)(C)c2ccccc2)cc[nH]1	757807076	DIQHAKYRRCBZBV-UHFFFAOYSA-N	312.373	1.942	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cc(C(F)(F)F)nn1C	931976215	RTRSPQODJFEQBF-UHFFFAOYSA-N	317.271	1.395	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2c(F)cccc2N2CCCC2)N1	863144774	ADSKEJJXSIJOPB-ZDUSSCGKSA-N	318.352	1.155	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(N(C)C(=O)C2CC2)cc1	932603194	SFQVDLJBWQACRC-UHFFFAOYSA-N	320.393	1.674	50	20	DDGD	
C[C@H](NS(=O)(=O)CC(C)(C)CCl)C(=O)OC(C)(C)C	866753442	SIDAEULCUTYSNO-VIFPVBQESA-N	313.847	1.901	50	20	DDGD	
OB(O)c1cccc(CNc2ccc(N3CCCC3)c(F)c2)c1	863889682	DTQVZQRWJPGWFW-UHFFFAOYSA-N	314.169	1.718	50	20	DDGD	
Cc1cc(C(=O)NNc2ccccn2)n(C2CCOCC2)n1	860627816	QCVPHSVDJQPMCK-UHFFFAOYSA-N	301.350	1.695	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNc2nc(C)cc(C)n2)c1	763268992	YRWKMEOFXRKABM-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cccc([C@H]2CCOC2)c1	761383810	HWDZHWUOQBGKPC-NSHDSACASA-N	316.279	1.904	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12	762961694	QLQJJGDTECZUDH-UHFFFAOYSA-N	317.305	1.430	50	20	DDGD	
COCCOCc1ccc(NC(=O)NNC(=O)C(C)C)cc1	861568488	UEERSWOQPDLDGO-UHFFFAOYSA-N	309.366	1.658	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2CCO[C@H](C(C)(C)C)C2)n1	764517495	XQGOOLNRRYRSQR-QWRGUYRKSA-N	323.397	1.705	50	20	DDGD	
COc1ccc(C(=O)NNc2cc(C#N)cc(Cl)n2)nn1	768696334	XMCZCMGIYFSMHY-UHFFFAOYSA-N	304.697	1.162	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H](C)CC(F)(F)F)n1	766656138	FQRIAIVCIXNEIZ-SSDOTTSWSA-N	307.276	1.761	50	20	DDGD	
C[C@H](NNC(=O)c1coc(C2CCOCC2)n1)C(F)(F)F	862318095	MZVIFRJZUYGGJL-ZETCQYMHSA-N	307.272	1.754	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCC[C@@]1(O)CCCOC1	867466605	XOQCWGDCCDHOTH-LBPRGKRZSA-N	313.847	1.102	50	20	DDGD	
CC(C)(C)[C@H](O)C(=O)NNC(=O)Cn1ccc2ccccc21	764998203	SVAMCHRLTAHDJX-CQSZACIVSA-N	303.362	1.196	50	20	DDGD	
Cc1cc(C(=O)NN=C2CCN(Cc3ccccc3)C2=O)n[nH]1	764794896	JWDCCJKFLNOHLA-UHFFFAOYSA-N	311.345	1.236	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCN(C2CCCCC2)CC1	767038454	OBYCCAWGIPYBNW-UHFFFAOYSA-N	324.469	1.130	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)cc[nH]1	862511987	FUKNEWFKVGTKRW-RYUDHWBXSA-N	322.409	1.804	50	20	DDGD	
O=C(Cc1ccc(O)c(Cl)c1)NNC(=O)[C@@H]1CCCCO1	868619528	OIKRKYSAWRZSQI-LBPRGKRZSA-N	312.753	1.305	50	20	DDGD	
CCOCn1nc(C)c(CC(=O)NCC(Cl)Cl)c1C	868328260	XNLNEOPPAZFICY-UHFFFAOYSA-N	308.209	1.956	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)COc2ccc(C)cc2)c1C	864489504	PORLOHAYCZZGSH-UHFFFAOYSA-N	316.361	1.360	50	20	DDGD	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NNC(=O)C(C)(C)O	768245779	VIBMZUWQTVFXQU-TUAOUCFPSA-N	300.399	1.279	50	20	DDGD	
O=C(Cc1ccncc1)NN=Cc1n[nH]c2cc(C(=O)O)ccc12	765582281	WASCJYZNFOEYSB-UHFFFAOYSA-N	323.312	1.349	50	20	DDGD	
CCS(=O)(=O)c1ccccc1C(=O)NNc1ncc(F)cn1	762093264	WNFDGXIBBIESFF-UHFFFAOYSA-N	324.337	1.166	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@@H]2CCC(=O)N2)c(Br)c1	863147441	FXAYSLIWTCIBAS-NSHDSACASA-N	324.178	1.486	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F	763437561	FJEMDGPPTFBBQL-UHFFFAOYSA-N	321.230	1.340	50	20	DDGD	
CS/C=C\C(=O)OCC(=O)NNC(=O)Cc1ccccc1C	767647048	CHIDMWXCMNOHLX-FPLPWBNLSA-N	322.386	1.105	50	20	DDGD	
CC(C)(C)c1ccccc1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1	860254674	UYZHNNWONNIXHA-LBPRGKRZSA-N	318.377	1.415	50	20	DDGD	
O=C(CCCCO)NNC(=O)CC12CC3CC(CC(C3)C1)C2	864474969	UJEHYMJFIDQPLT-UHFFFAOYSA-N	308.422	1.903	50	20	DDGD	
COC(=O)C(=O)NNC(=O)NCC1CCC(C(C)(C)C)CC1	1116298041	WWRAPJYPHIBEJA-UHFFFAOYSA-N	313.398	1.342	50	20	DDGD	
CCCCCCCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	875765097	FEUHWMRQTCKCEV-ZDUSSCGKSA-N	305.444	1.338	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNC(=O)c1ccc(OC)cc1)C(C)C	1119093327	QWNHZRAJQIZNKH-CYBMUJFWSA-N	322.361	1.292	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CCSCC1	777429132	DMAQCQHVNCJKHR-LLVKDONJSA-N	304.437	1.056	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccn(-c3ccncc3)n2)cc1	1116806900	KDUAIHVUUUFBDA-UHFFFAOYSA-N	304.313	1.896	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)c1nc2ccccc2s1	874913319	BVDOBNNPBNKBBQ-AWEZNQCLSA-N	307.375	1.872	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C(C)(C)c1cccc(F)c1	772141377	YPQQQXHTXOULGF-JTQLQIEISA-N	324.352	1.592	50	20	DDGD	
CCn1ncc(C(=O)NNc2nc3ccccn3n2)c1C1CC1	879736564	UREONVZTZXUPOI-UHFFFAOYSA-N	311.349	1.580	50	20	DDGD	
COc1ccccc1[C@H](CO)NC(=O)NNC(=O)C(C)(C)C	778659457	FVCQTLILKRKLIS-NSHDSACASA-N	309.366	1.105	50	20	DDGD	
CS[C@H](C)CCC(=O)NNC(=O)c1ccc2c(c1)OCO2	773183545	WKQCIBMIFHQSMY-SECBINFHSA-N	310.375	1.708	50	20	DDGD	
O=C(Cc1ccccc1CO)NNC(=O)c1cc2ccccc2o1	779804629	VUQUEOCTVASVPV-UHFFFAOYSA-N	324.336	1.929	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2cccc3cnccc23)n1	1116741258	PWSWRYNQXQXVCS-UHFFFAOYSA-N	321.340	1.746	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H]1SCCc2sccc21	1116139450	ITZMPWWCMJXUKM-SNVBAGLBSA-N	315.489	1.982	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C1=CCOCC1	771601937	PBDFIRFKEYMXKV-SNVBAGLBSA-N	308.309	1.087	50	20	DDGD	
CC#CCCNC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	776205314	NBZHNXYWDVSCPB-LLVKDONJSA-N	307.325	1.337	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc2[nH]ccc12	772010962	ZJTMEHYQMSTIDZ-SECBINFHSA-N	303.318	1.271	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(c2ccccc2C)CC1	772074875	ITFLBFPGGUGCHJ-LBPRGKRZSA-N	318.373	1.516	50	20	DDGD	
CN(CCO)Cc1cn(/C(Cl)=C\CBr)nn1	881310560	MCSVFMWGQJFPQW-MBXJOHMKSA-N	309.595	1.134	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)NNc1cc(F)ccc1F	885144896	NADJYKYBONNYNQ-UHFFFAOYSA-N	306.334	1.479	50	20	DDGD	
CC(C)/C=C/c1cn([C@@H](C)C(=O)NNC(=O)CC(C)C)nn1	881291430	PPCPNXZRDGTBJK-SYTKJHMZSA-N	307.398	1.702	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1cccc2cccnc12	784795679	DIPAXHIEOJINSU-UHFFFAOYSA-N	307.313	1.712	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1cccc(C(F)F)c1	780379110	DGBFGUDDSNJDJL-UHFFFAOYSA-N	321.349	1.917	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1ccsc1C	880399982	CREPIGKBFYKZJF-MRVPVSSYSA-N	301.368	1.261	50	20	DDGD	
CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)c1cccnn1	883693451	CAKCZRYIOCFMKL-MNOVXSKESA-N	305.382	1.635	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CN(C)C)cnn1C1CCCCC1	781422882	QCJXDOLNIKPEIZ-UHFFFAOYSA-N	307.398	1.019	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2cccc(OC)n2)ccn1	781025471	RNPZCLHYZBQEAD-UHFFFAOYSA-N	302.290	1.029	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ccc(F)c(F)c2)CCC1	885114089	SWRAWTQVPRLFIA-UHFFFAOYSA-N	304.318	1.375	50	20	DDGD	
CC(=O)N1CCc2cc(NC(=O)NNC(=O)C(C)C)ccc21	782549761	JUEFLDKFFVWTQA-UHFFFAOYSA-N	304.350	1.404	50	20	DDGD	
CCN(CC(=O)NNc1ccnc(F)c1)C(=O)OC(C)(C)C	781362466	VYDFXOQLCMGQLT-UHFFFAOYSA-N	312.345	1.921	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1cnc(-c2ccco2)s1	782169938	XMHUNYRDDCRSCY-UHFFFAOYSA-N	318.358	1.476	50	20	DDGD	
COc1cc(NNC(=O)N[C@H](C)C[S@](C)=O)ccc1Cl	789179597	LTDWPCKGCRXURG-SQFXPLBJSA-N	319.814	1.742	50	20	DDGD	
O=C(CCn1cnccc1=O)NNc1c(F)cccc1Cl	794430110	INCWNGHIWNPOQE-UHFFFAOYSA-N	310.716	1.569	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2cccc(C)n2)oc1C	794571461	BYUZBZLMZNWXIZ-UHFFFAOYSA-N	301.302	1.842	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1cc(N(C)C)ccn1	798309931	QQOGHBLNXQTBPT-UHFFFAOYSA-N	313.361	1.923	50	20	DDGD	
O=C(CC1OCCO1)NNc1ccnc(Br)c1	793833986	JDUMJXRMXVWPGV-UHFFFAOYSA-N	302.128	1.050	50	20	DDGD	
CO[C@@H](C(=O)NNc1nc2ccccc2[nH]1)c1cnn(C)c1	799101617	PFPANFPIPWCWCP-GFCCVEGCSA-N	300.322	1.127	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H]1CCCN1Cc1ccccn1	791220754	MLQLQHXVGPHKTG-OAHLLOKOSA-N	311.389	1.893	50	20	DDGD	
CN1CC[C@@H]1CNS(=O)(=O)c1ccc(CCCl)cc1	710287375	JAQSITMLXPNRTQ-GFCCVEGCSA-N	302.827	1.450	50	20	DDGD	
N#CC1(CNC(=O)NNC(=O)c2ccc(Cl)cc2F)CC1	797581041	MCQDIQGKXYJSDD-UHFFFAOYSA-N	310.716	1.727	50	20	DDGD	
CCOC(=O)CCCS(=O)(=O)NCCSSC	790349981	ZXTBZBVYNUIZQD-UHFFFAOYSA-N	301.455	1.260	50	20	DDGD	
COc1cc(C(=O)NNc2nc(O)c3ccccc3n2)ccn1	1319087279	APSVUXPXLPMBKU-UHFFFAOYSA-N	311.301	1.496	50	20	DDGD	
CNC(=O)NNC(=O)c1c(C)n(C2CC2)c2ccc(OC)cc12	1317963267	PAYYINHXNSAVKE-UHFFFAOYSA-N	316.361	1.867	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cc(Br)c(C=O)n1C	1318650204	ASQVJSCLUGWMOG-UHFFFAOYSA-N	316.155	1.017	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2ccn(-c3ccncc3)n2)c1	1328577960	WTUPCCIHWRULKJ-UHFFFAOYSA-N	304.313	1.896	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1csc(C#N)c1	1327734414	NSUNIKIZQNLJTK-UHFFFAOYSA-N	312.420	1.107	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccc(Br)cc1)N(C)C	1329752929	TUXIFMKLEHQXEE-MRVPVSSYSA-N	314.183	1.160	50	20	DDGD	
Cc1c(C(=O)NCCCSC#N)cnn1-c1ccc(O)nn1	1322790967	FTIWSAPZPKAXCD-UHFFFAOYSA-N	318.362	1.011	50	20	DDGD	
C[C@@H](NNC(=O)c1cc(=O)n(C)c2ccccc12)C(F)(F)F	1329522412	QTQDDOCHTZXHHL-MRVPVSSYSA-N	313.279	1.724	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cc3c(cn2)OCCC3)c1Cl	1337582580	RMNHLKUKUAVTNF-UHFFFAOYSA-N	320.740	1.189	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H](CC(C)C)NC(C)=O)cc1	1349007434	GITXAQNOPKXEFD-CQSZACIVSA-N	321.377	1.007	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(C)n1C1CC1	1261499544	NUBHWENNEFXBHT-DGCLKSJQSA-N	305.378	1.626	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)/C=C/c2cncc(F)c2)cc1	1262410822	QZKSROKGEJFHPP-FARCUNLSSA-N	315.304	1.704	50	20	DDGD	
C[C@@H]1CCN(c2nnnn2C[C@@]2(C)C[C@@H]2Br)C1	1352687997	SAOAUVXTVGECRQ-WCABBAIRSA-N	300.204	1.693	50	20	DDGD	
CC[C@@H](C)n1nccc1C(=O)NNC(=O)c1cccc(C#N)c1	1527577612	SVYXQAAPZVGWAW-LLVKDONJSA-N	311.345	1.801	50	20	DDGD	
NC(=O)Nc1cccc(C(=O)NNc2cccc(C(=O)O)c2)c1	1601156460	XJNAZGBXTDZSOT-UHFFFAOYSA-N	314.301	1.632	50	20	DDGD	
Cc1ccc(NNC(=O)c2cnn(C3CC3)c2)cc1C(=O)O	1600463898	ZXGXKVPXKAAOQS-UHFFFAOYSA-N	300.318	1.982	50	20	DDGD	
COc1ccc(NNC(=O)Nc2cccc(CC(=O)O)c2)nc1	1604821065	IOWHLJMMUBGMKS-UHFFFAOYSA-N	316.317	1.866	50	20	DDGD	
Cc1cc(C)n(CCC(=O)NNc2ccc(C(=O)O)cc2F)n1	1600179165	FPIOVBYNKLCNTA-UHFFFAOYSA-N	320.324	1.871	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccc3c(n2)CCCC3)nc1	1602383125	TTXFWYUEUBZSIQ-UHFFFAOYSA-N	312.329	1.811	50	20	DDGD	
CCn1ccc(NC(=O)NNc2ccc(C(=O)O)cc2F)n1	1605927399	KLAQBDLGCYLWIU-UHFFFAOYSA-N	307.285	1.889	50	20	DDGD	
COc1ccc(OC)c(C(=O)NNc2ncccc2C(=O)O)c1	1604822053	IFWBXTPUQFHBAC-UHFFFAOYSA-N	317.301	1.554	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1C2CCC1(C(=O)O)CC2	1601045273	JTXCVGJGERJVIH-FMIVXFBMSA-N	312.325	1.907	50	20	DDGD	
O=C(NCCCO[C@H]1CCOC1)NNc1cccc(C(=O)O)c1	1610692040	CPNPHPZMHSXLNI-ZDUSSCGKSA-N	323.349	1.207	50	20	DDGD	
Nc1nccnc1C(=O)NNc1ccc(C(=O)O)c(Cl)c1	1610648966	RORZAQYGDWQBMW-UHFFFAOYSA-N	307.697	1.167	50	20	DDGD	
CC(C)C[C@@H]1COCC1=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	1550193566	QBZQDUSFAPSLFM-NFAWXSAZSA-N	309.410	1.014	50	20	DDGD	
CCn1cc([C@H]2OCC[C@@H]2C=NNC(=O)c2ccnnc2)cn1	1552452806	GRULXOWNVROUGF-RISCZKNCSA-N	314.349	1.186	50	20	DDGD	
COc1ccc(CCCCCC(=O)NNC(=O)NCCN)cc1	1579208252	CMCXSNJFTYMCHC-UHFFFAOYSA-N	322.409	1.087	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@@H]2CCc3cc(N)ccc32)cn1	1579958896	LLHJKSOONFATBO-MSXUNZPYSA-N	307.357	1.713	50	20	DDGD	
CC(C)(C)OC1CC(CC(=O)NNC(=O)CCCCCN)C1	1575245578	FJJFMIWWCFYDIE-UHFFFAOYSA-N	313.442	1.637	50	20	DDGD	
O=C(CNC[C@@H]1CCCO1)NNc1cc(F)cc(F)c1F	1580556655	PDPWODYABKZOSD-VIFPVBQESA-N	303.284	1.316	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1[C@H]2CCNC[C@H]21	1580737741	XMPURJPDXQWVQI-SBMIAAHKSA-N	310.741	1.547	50	20	DDGD	
Cn1ncc(C(=O)O)c1C=NNC(=O)c1cccc(Cl)c1	1594578957	JEWUDQLPSOIGNB-UHFFFAOYSA-N	306.709	1.536	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCC#N	1847867217	RMZKPETZWYJNAN-AGIUHOORSA-N	311.813	1.899	50	20	DDGD	
O=C(O)[C@H]1CN(S(=O)(=O)CCCCl)Cc2ccccc21	1594954869	CLNXXGSOYFACPS-LBPRGKRZSA-N	317.794	1.629	50	20	DDGD	
CO[C@H]1CC[C@H](NC(=O)NNc2ccc(CC(=O)O)cc2)C1	1599102374	KXQNGDFSOMIGIO-STQMWFEESA-N	307.350	1.507	50	20	DDGD	
CCc1nocc1C=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1590935631	MBHSYSKUBKQDSI-UHFFFAOYSA-N	311.305	1.181	50	20	DDGD	
Cn1ncc(C(=O)O)c1CNC[C@@]1(C)C[C@@H]1Br	1594579972	BAOFQHOMDOOEBX-GXSJLCMTSA-N	302.172	1.381	50	20	DDGD	
CSSCCNS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)O	1599804898	VWRIPQOARZJSLE-IUCAKERBSA-N	313.466	1.560	50	20	DDGD	
CC1(C)CCC[C@@](NS(=O)(=O)CCCCl)(C(=O)O)C1	1593899437	KCTNVNLJPRWYHD-LBPRGKRZSA-N	311.831	1.958	50	20	DDGD	
Cn1cnc(C#N)c1C=NNC(=O)Nc1ccc(C(=O)O)cc1	1776046694	CDBQUWAKUXDOMJ-UHFFFAOYSA-N	312.289	1.146	50	20	DDGD	
O=C(NN=C1CC[C@@H](C(=O)O)c2ccccc21)c1ncccn1	1776081136	ABMPYHYXVBZXKV-GFCCVEGCSA-N	310.313	1.573	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1[N+](=O)[O-]	1776825502	NLRXTCYZIFNPRL-IZZDOVSWSA-N	324.314	1.982	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NN=Cc1ccc(C(=O)O)nc1	1776042890	FMFRFVKGPGRVSU-UHFFFAOYSA-N	322.324	1.885	50	20	DDGD	
CC(=O)NC1(c2ccc(NC(=O)[C@H](O)CCl)cc2)CCC1	1786133793	WNSCWZUSWKSTSN-CYBMUJFWSA-N	310.781	1.740	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C2CC2)ccc1OCC(C)C	15794312	QGDMCLWRBGCVFA-UHFFFAOYSA-N	306.362	1.901	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1ccc(Br)s1	16129840	WYDKCRFTOLOEAK-UHFFFAOYSA-N	315.170	1.060	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)CCc1cccnc1	17582134	LXDHRWRJWVKWBK-UHFFFAOYSA-N	323.356	1.432	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc(CCC(F)(F)F)cc1	161175099	VFDWYYMKTLYUGY-UHFFFAOYSA-N	317.267	1.287	50	20	DDGD	
CCn1c(NNC(=O)c2cc(C)ncn2)nc2ccccc2c1=O	161427389	SBWFYWPIFFKNEF-UHFFFAOYSA-N	324.344	1.272	50	20	DDGD	
CS(=O)(=O)N1CCCC[C@@H]1C(=O)NNc1ccccc1F	152955588	CTYHTWQOVLNTRK-GFCCVEGCSA-N	315.370	1.083	50	20	DDGD	
CCc1ccc(NC(=O)NNc2ccc(C(N)=O)nn2)cc1	152961625	KSTMFCOQTIXNFY-UHFFFAOYSA-N	300.322	1.287	50	20	DDGD	
CC1(C)CCCC[C@H]1NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	156725384	LCILLWALKLTWHA-RISCZKNCSA-N	317.455	1.336	50	20	DDGD	
CS(=O)(=O)[C@H]1CCN(C[C@H](CBr)C2CC2)C1	859295405	UEGCIRGHNJJLLW-QWRGUYRKSA-N	310.257	1.526	50	20	DDGD	
C[C@@H]1[C@H](NS(=O)(=O)CCl)CCN1Cc1ccccc1	309836810	URSKOQXGXUAXIQ-DGCLKSJQSA-N	302.827	1.765	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C)C(=O)OCc1ccccc1	495958978	YHFIHHKXLIJVTR-UHFFFAOYSA-N	307.350	1.058	50	20	DDGD	
CC(C)OCC[C@@H](O)CN(C)NC(=O)OCc1ccccc1	859386594	VNPMSUMJOXDRKL-OAHLLOKOSA-N	310.394	1.936	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccc[nH]1	7727375	KEIOPDGUNYPMIA-UHFFFAOYSA-N	319.386	1.517	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCCCC1CCCC1	103507911	UHOWSEOEPZBDAA-UHFFFAOYSA-N	304.394	1.925	50	20	DDGD	
NC(=O)NCc1ccc(C(=O)NNc2c(F)cccc2F)cc1	118517158	AAZQNWCHTBFIJK-UHFFFAOYSA-N	320.299	1.890	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)c2cnn(C)c2)c(C)c1	117680035	IXJJBNSKCJJFLP-UHFFFAOYSA-N	316.361	1.267	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc2ccccc2n1C	65204699	HGKVBMRGBJRJIG-UHFFFAOYSA-N	304.350	1.159	50	20	DDGD	
CCCN(CC)CCNC(=O)NNc1cccc([N+](=O)[O-])c1	175763769	QDTRVTWCIQFVHG-UHFFFAOYSA-N	309.370	1.953	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CCNC(=O)c1ccsc1	60781196	QVIZPIWHKCFGLL-UHFFFAOYSA-N	313.379	1.424	50	20	DDGD	
CCSc1ccc(C(=O)NNC(=O)c2cnn(C)c2)cn1	117682363	UZQYGYWTABOSDF-UHFFFAOYSA-N	305.363	1.002	50	20	DDGD	
CO[C@@H](C)C(=O)NNC(=O)NCc1cccc(C(F)(F)F)c1	67337093	CILAQYJLZIEBRR-QMMMGPOBSA-N	319.283	1.571	50	20	DDGD	
CCC[C@H](C)CC(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1	111543660	JMBAANPZCYOESF-BFHYXJOUSA-N	313.442	1.459	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1cnn(C)c1	117678834	DAAORANZZPEBPQ-VIFPVBQESA-N	322.752	1.302	50	20	DDGD	
Cc1[nH]ccc1C(=O)NNC(=O)c1ccc2c(c1)OCCO2	175186397	YWLLNAJDPCEOML-UHFFFAOYSA-N	301.302	1.169	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)N1CCCc2ccc(F)cc21	124673366	IUGZLSXUIBICCV-SNVBAGLBSA-N	321.352	1.298	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)CCc2ccc(OC)cc2)cn1	74512473	PKYZZTGXTXUDHX-UHFFFAOYSA-N	316.361	1.305	50	20	DDGD	
Cc1c(C(=O)NNc2cc(Cl)nc(N)n2)cnn1C(C)(C)C	182633707	MJTCLIFULOXJTQ-UHFFFAOYSA-N	323.788	1.729	50	20	DDGD	
Cn1c(NNC(=O)c2cncc(F)c2)nc2ccccc2c1=O	129951260	NOMFYOUCNJMZFG-UHFFFAOYSA-N	313.292	1.225	50	20	DDGD	
COCCOC[C@@H]1CCN(S(=O)(=O)CCCCCl)C1	154469572	FXZRKPDOBYTGPV-GFCCVEGCSA-N	313.847	1.320	50	20	DDGD	
CC[C@@H](C)[C@H](C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	182348956	LBELQVOADZGLTH-SUNKGSAMSA-N	306.362	1.656	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)N[C@@H]2CC=CCC2)c1	77641500	YYKYRMSOPFAVFY-CYBMUJFWSA-N	302.378	1.805	50	20	DDGD	
CN(C)c1ccccc1NC(=O)C(=O)NNc1ccc(F)cc1	181344828	OETADLJHNLHGNW-UHFFFAOYSA-N	316.336	1.974	50	20	DDGD	
COc1ccc(OC)c(CCC(=O)NNC(=O)CC(C)C)c1	46652165	FCMCBEYCYRHQGI-UHFFFAOYSA-N	308.378	1.830	50	20	DDGD	
CCc1ccc(CC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1	131483635	SXUCPVFMXRKQLG-HNNXBMFYSA-N	324.446	1.284	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)c2c(C)nc3ccccn23)s1	195334627	JMAZJCMYTSSSRO-UHFFFAOYSA-N	315.358	1.482	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C[C@@H]2CC[C@H](C)C2)c1O	132049207	VRCDOUQSWHSQKB-WDEREUQCSA-N	306.362	1.988	50	20	DDGD	
CN(C)C(=O)NNS(=O)(=O)c1ccccc1-c1ccccc1	194856143	XECYFUYYTSHFGA-UHFFFAOYSA-N	319.386	1.818	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1ccc(-n2ccnn2)cc1	89828545	KIMHWIGNFVWWNV-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2SCCc3ccccc32)cn1	80356248	GRNAIGUMIOVGKI-CYBMUJFWSA-N	316.386	1.212	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccc2c(c1)CCC2	46917537	HCQYRQMARLOMQI-UHFFFAOYSA-N	301.268	1.682	50	20	DDGD	
CC(=O)CC(C)(C)CC(=O)NNc1nc(-c2ccncc2)no1	191810211	SIMRMJFBSZLTCN-UHFFFAOYSA-N	317.349	1.970	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)c1ccccc1OC)C1CC1	269678770	QIWIFVZGPURKAH-GFCCVEGCSA-N	307.350	1.064	50	20	DDGD	
COCCCN(C)CCNC(=O)NNc1ccc(Cl)nc1	266845147	WFXKHQMYYQZSKQ-UHFFFAOYSA-N	315.805	1.329	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)CNc1ccc(C)cc1C	265807077	IWCKQQFYZSVXJV-UHFFFAOYSA-N	316.361	1.727	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)NC[C@H](C)c1ccccc1	267247025	ZABBUWKMHNCEER-STQMWFEESA-N	323.393	1.172	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1cn2ccccc2n1	264045318	LBUFLLMRHMWJDQ-UHFFFAOYSA-N	303.366	1.601	50	20	DDGD	
CO[C@H](C)CCNC(=O)NNC(=O)COc1ccc(C)cc1	263820408	XYAPWUVYBWRAQW-GFCCVEGCSA-N	309.366	1.129	50	20	DDGD	
CCOc1cc(CNC(=O)NNc2cccnn2)ccc1OC	265465530	HTCHSEAXEZTBTR-UHFFFAOYSA-N	317.349	1.710	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NNc2ncccn2)C1	264760434	LSAWOHDCMBZWOQ-JTQLQIEISA-N	322.369	1.112	50	20	DDGD	
CN(C)C(=O)c1cc(NC(=O)NNC(=O)C2CC2)ccc1F	274054288	CNSRZAJYUCRRKA-UHFFFAOYSA-N	308.313	1.090	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1ccsc1Cl	275902960	UHFYYUAQRYFTRR-UHFFFAOYSA-N	319.770	1.896	50	20	DDGD	
Cn1cc(NC(=O)[C@@H](Br)C(C)(C)C)cc1C(N)=O	274329605	APXUVOOYIUEMSH-SECBINFHSA-N	316.199	1.872	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2ccc3ccccc3n2)CCCOC1	272938937	RVCRJFODMJODLC-KRWDZBQOSA-N	313.357	1.813	50	20	DDGD	
CSSCCNC(=O)N[C@@H]1COc2ccccc2[C@H]1O	368250145	BLYDOIGLSPALJO-ZYHUDNBSSA-N	314.432	1.791	50	20	DDGD	
CCCOc1cc(C)ccc1NC(=O)C(=O)NNC(=O)OC	274168423	GFQNAMMSOFNQJB-UHFFFAOYSA-N	309.322	1.110	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](C)[C@H]2CCCCO2)s1	272012350	WELZIVLNKCPXLO-WDEREUQCSA-N	311.407	1.958	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)[C@@H]1C[C@]12CCOC2	372017052	VJPYFJREUPEFDX-WFASDCNBSA-N	323.780	1.597	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1ccc(Cl)cc1	283822026	ZLYJKBSWJRFIGE-UHFFFAOYSA-N	301.730	1.156	50	20	DDGD	
O=C(NNc1cccc(F)c1)C(=O)Nc1cc2n(n1)CCCC2	289248028	PWGWBMIXNZCHPB-UHFFFAOYSA-N	317.324	1.440	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1ccc(-c2cnn(C)c2)s1	282725891	WSRMWYPNJDLOBW-YRNVUSSQSA-N	316.386	1.818	50	20	DDGD	
CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NN(C)c1ccccc1	282545361	SWJCZQABIYUMHP-NSHDSACASA-N	317.311	1.857	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@H]2CCC[C@@H](OC)C2)nc1	281380957	YJRMMXCHZOAOGP-WCQYABFASA-N	321.377	1.907	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CCCC2CCOCC2)cc1	281648379	PMCTWBXPSXSXJD-UHFFFAOYSA-N	315.373	1.916	50	20	DDGD	
CN1[C@H]2CC[C@H]1CC(NC(=O)NNc1cncc(Cl)n1)C2	297298543	AEPTZUNBDHWITJ-UWVGGRQHSA-N	310.789	1.381	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1ncc(F)cc1F)C1CCCC1	296865629	GRKBOUSRIPIRSA-GFCCVEGCSA-N	312.320	1.498	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)C(C)(C)C)cc1[N+](=O)[O-]	298919163	HVMHVPACGRMJRV-UHFFFAOYSA-N	324.337	1.480	50	20	DDGD	
Cc1cccc(C)c1NCC(=O)NNC(=O)N=c1cc[nH]cc1	802029923	RWHUBODYJVBLKY-UHFFFAOYSA-N	313.361	1.385	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN(C(C)C)C1CC1	297785887	GZTVNHIATKHYHN-UHFFFAOYSA-N	303.406	1.558	50	20	DDGD	
CCCCN(CC(=O)NNC(=O)C1CC1)Cc1ccccc1O	801595517	DVVQXJJISOAKHT-UHFFFAOYSA-N	319.405	1.552	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@H]2CC2(F)F)cc1OC	294361876	MQKPBPDBOHNFRS-SECBINFHSA-N	314.288	1.510	50	20	DDGD	
COC[C@H](C)CNC(=O)NNC(=O)Nc1cc(F)cc(F)c1	296468939	WMYHZYKJBABDOF-MRVPVSSYSA-N	316.308	1.583	50	20	DDGD	
CCCN(NC(=O)CCC(=O)NCC)C(=O)OC(C)(C)C	804591387	MAGBONWXNQKCRU-UHFFFAOYSA-N	301.387	1.581	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)N2CCN(C)CC2)CC1	807383210	PDLFBWCVDLWDGP-UHFFFAOYSA-N	316.405	1.015	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)CCCc1ccccc1)OC	290678228	IPQVOXNZHRZRRE-CQSZACIVSA-N	307.394	1.765	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cc2c(s1)CCOC2	802032673	UBNJOYZSWJFBNX-UHFFFAOYSA-N	318.358	1.104	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@H]1CCn2cncc2C1	803428748	FPCLRGCLQPYVJK-LBPRGKRZSA-N	323.356	1.430	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=O)COCc2ccccc2)o1	293100369	GWWCLINAEJFAOC-UHFFFAOYSA-N	317.345	1.523	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CNC(=O)C(C)(C)C)cc1	802055490	RQCKCMRMPSQNRW-UHFFFAOYSA-N	322.365	1.010	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccccc1OC1CC1	805724297	DTKXQIHJUFVNHL-SNVBAGLBSA-N	320.345	1.331	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)NNc1cc(C#N)cc(Cl)n1	802971358	MVMWYSJMFSKOAE-NSHDSACASA-N	321.768	1.451	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)C(C)(C)C)cc1OC	298850490	LCZYPSSDTATHPW-UHFFFAOYSA-N	316.379	1.059	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ncccc2N(C)C)nn1	290860174	BODHEJHSXUFQRF-UHFFFAOYSA-N	301.354	1.072	50	20	DDGD	
COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NNC(=O)CC2CC2)c1	294042855	FDXPWGSXSQEGRC-OCCSQVGLSA-N	318.373	1.755	50	20	DDGD	
Cc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	293910382	MFOGCPCWMPJWPZ-ONGXEEELSA-N	307.306	1.232	50	20	DDGD	
Cc1cccc(F)c1NC(=O)C(=O)NNc1cccc(F)n1	807391759	JDGGMISJQVUWTR-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
CCOC(=O)COc1ccc(NC(=O)NNC(=O)C(C)C)cc1	800559845	JGGVKILHCLNLPA-UHFFFAOYSA-N	323.349	1.437	50	20	DDGD	
O=C(O)[C@H]1CCCN1S(=O)(=O)c1ccc(CCCl)cc1	819244331	DQDYYXUCVMDEQF-GFCCVEGCSA-N	317.794	1.706	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1csc(C(=O)O)c1	814911825	DUKSABUXVZHFOZ-UHFFFAOYSA-N	310.379	1.127	50	20	DDGD	
CSCc1cccnc1C(=O)NNC(=O)c1cccc(C)n1	810712636	AKTNWVLKGNRMKS-UHFFFAOYSA-N	316.386	1.723	50	20	DDGD	
COc1ccc(F)cc1C=NNC(=O)[C@H](C)CN1CCOCC1	812225402	YIMVXBHRJZZMQB-GFCCVEGCSA-N	323.368	1.253	50	20	DDGD	
Cc1nnsc1C=NNC(=O)[C@@H](C)Oc1ccccc1F	814214453	COQGJHFCRGGJMZ-SECBINFHSA-N	308.338	1.903	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)CNC(=O)c1ccoc1C	816338117	WIXCLPABKHGIGI-UHFFFAOYSA-N	321.308	1.609	50	20	DDGD	
O=C(NN=C1COCCOC1)Nc1ccc(OC(F)F)cc1	814857495	YGKNBZBVDOABRD-UHFFFAOYSA-N	315.276	1.812	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccncc2)c2c(C)nn(C)c2n1	818779544	CSZKRFQNSYKYDR-UHFFFAOYSA-N	324.344	1.055	50	20	DDGD	
C[C@H](C(=O)NN(C)[C@@H](C)CO)c1cccc(Br)c1	823921714	ANTMEIYXRINVRW-UWVGGRQHSA-N	315.211	1.896	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(N(C)C)c2ccccc2n1	822800274	TWWRRLKNLHOKMX-UHFFFAOYSA-N	315.377	1.655	50	20	DDGD	
CSCCNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	726278411	FGIJHIKNKDGLDK-UHFFFAOYSA-N	311.451	1.896	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CO[C@H](C)C2)c1F	828440883	WXHAHWMDHFQMSF-BDAKNGLRSA-N	311.313	1.416	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C	493603744	CGYQHHVCEAGEEF-SECBINFHSA-N	316.402	1.276	50	20	DDGD	
CC(=O)Nc1c(C)cccc1C(=O)NNC(=O)C1CCCC1	729316466	VMWVPXQEZBDWRJ-UHFFFAOYSA-N	303.362	1.905	50	20	DDGD	
O=C(CCc1ccccc1O)NNc1cccc(-c2nn[nH]n2)c1	826409113	JFKYYZBXARQVEW-UHFFFAOYSA-N	324.344	1.648	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCC=C(c2cccnc2)C1	829897239	CQJDOPUXZQANAR-GFCCVEGCSA-N	302.378	1.117	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)C2(C(=O)C3CC3)CC2)c1	827649688	NBQOACYMRWJHAQ-UHFFFAOYSA-N	304.737	1.809	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2cc[nH]n2)cc1OC(C)C	823012785	QJELGDPTCHFVAB-UHFFFAOYSA-N	317.349	1.972	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1CSCCS1	826448535	ZBRJKMXRVKLNBK-JTQLQIEISA-N	322.419	1.158	50	20	DDGD	
C[C@H]1SCC[C@@H]1NC(=O)NNC(=O)Cc1ccc(F)cc1	827645175	WCLCSCGSLHXTBT-SKDRFNHKSA-N	311.382	1.593	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C1CCOC[C@H]1C	495993474	QIQQGARECUBNQQ-YPMHNXCESA-N	323.393	1.432	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)C1(C(=O)C2CC2)CC1	822731865	PTQJHWRMQRMKNJ-UHFFFAOYSA-N	320.320	1.815	50	20	DDGD	
O=C(NNc1ncccc1Cl)c1cc(-c2nn[nH]n2)cs1	823285527	VNQPNPQPYUKDCD-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cnc(F)c(Cl)c1	820937175	SOQXXSSOFLDMII-SECBINFHSA-N	301.705	1.204	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CCCCN(C)C2=O)c1	821797826	SKHYWTDLMRCRKO-ZDUSSCGKSA-N	319.361	1.175	50	20	DDGD	
COc1ccc(C)cc1C=NNC(=O)CNC(=O)OC(C)(C)C	494537677	CNSLVCAFRFZOII-UHFFFAOYSA-N	321.377	1.978	50	20	DDGD	
NC(=O)c1ccc(NC(=S)NNC(=O)CC2CCCC2)cc1	726487986	UXEMKNFGYBGZHN-UHFFFAOYSA-N	320.418	1.683	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C2=CCCCO2)o1	820203615	WIXDVHVAWYTDQD-UHFFFAOYSA-N	319.325	1.116	50	20	DDGD	
CCOC(=O)NNC(=O)c1cnc(Oc2ccccc2)cn1	494589983	LRUHDLIBVJQZCN-UHFFFAOYSA-N	302.290	1.660	50	20	DDGD	
COc1cccc(S(=O)(=O)NCC(Cl)Cl)c1OC	907266804	HGWVXJVXADNRJT-UHFFFAOYSA-N	314.190	1.786	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)/C=C\c2cncc(F)c2)n1	492539605	QSPFHQWAQZQMCQ-UPHRSURJSA-N	308.704	1.403	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@H]1CCCCN1Cc1ccccc1	823952637	SQZDYQUESKUHSO-HOCLYGCPSA-N	305.422	1.385	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C)C1CCN(C(=O)OC)CC1	490662376	BDNFKTHTYXBOEU-BVRAVYJCSA-N	309.366	1.413	50	20	DDGD	
CCCNC(=O)NNC(=O)C1(Cc2ccccc2)CCOCC1	822799496	DRGJPXQRGCQLBL-UHFFFAOYSA-N	319.405	1.766	50	20	DDGD	
OB(O)[C@H]1CCN(Cc2cnc(CCc3ccccc3)s2)C1	585076399	NHZSTALDIHBZSL-AWEZNQCLSA-N	316.235	1.977	50	20	DDGD	
Cn1nc(C(=O)O)cc1C=NNC(=O)c1cc2c(s1)CCC2	901143519	JUCWJEIZYVXUFL-UHFFFAOYSA-N	318.358	1.432	50	20	DDGD	
CCN(CC(=O)N1CC[C@@H](B(O)O)C1)Cc1ccccc1Cl	585064009	LOLKTLBKMFGYRH-CYBMUJFWSA-N	324.617	1.237	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CCO[C@H](CF)C2)cc(C#N)n1C	491161361	ODFDMNCIUAZZTB-DTHCKZEYSA-N	316.336	1.309	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)c1ccc(-n2ccnc2)nn1	733362312	XIFAQYPADLFTAJ-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
Cc1nn(CCC(=O)O)c(C)c1C=NNC(=O)c1ccoc1	738923201	RINCWQOTBZPZSK-UHFFFAOYSA-N	304.306	1.332	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NN=Cc1ccc(O)cc1	734302652	IZGGXCQLRXNYGB-UHFFFAOYSA-N	322.365	1.550	50	20	DDGD	
O=C(/C=C/c1cccnc1)NN=c1nc(-c2cccnc2)[nH]o1	491753333	VVGKFTGZBNTUKX-AATRIKPKSA-N	308.301	1.105	50	20	DDGD	
Nc1c(Cl)cc(C(=O)N2CC[C@@H](B(O)O)C2)cc1Cl	585078345	CIDYWIYXRYAZJZ-SSDOTTSWSA-N	302.954	1.265	50	20	DDGD	
C[C@@H](OC[C@H]1CCCO1)C(=O)NNc1cnnc2ccccc12	733810892	DKPSBHXFNIIFKO-VXGBXAGGSA-N	316.361	1.657	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CCNC(=O)O)c1C	738735930	FJNNPVPUQOSXSD-UHFFFAOYSA-N	310.379	1.279	50	20	DDGD	
C[C@@H]1[C@@H](CNC(=O)NNC(=O)[C@H]2CCCCO2)CCC[C@H]1C	836439523	XBJDKMMCGITKHH-XJFOESAGSA-N	311.426	1.958	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)COc1cccc(C=O)c1	733250867	HLFAFKAXQGRPMS-UHFFFAOYSA-N	312.325	1.648	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCCOc3cc(F)ccc32)o1	585032629	KIGCOULUCOZGES-CYBMUJFWSA-N	305.114	1.102	50	20	DDGD	
CC(C)CC[C@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1	584963434	YIXBXKSYSQTXAC-CQSZACIVSA-N	303.211	1.655	50	20	DDGD	
C[C@@H](CN1CCCCC1)NC(=O)NNc1ncc(F)cc1F	837530463	JFNUNXBTHSICCH-JTQLQIEISA-N	313.352	1.860	50	20	DDGD	
COC(=O)COc1ccc(CN(C)S(=O)(=O)CCl)cc1	831135913	SDZLVGCZJFSJTQ-UHFFFAOYSA-N	321.782	1.196	50	20	DDGD	
O=C(NCCNC(=O)c1cccs1)NNc1ccc(F)cn1	731359592	MOXSPNNYSNDGEL-UHFFFAOYSA-N	323.353	1.338	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)NNc1ncnc2ccsc12	907045758	TXRPRKGFGMGYOQ-SECBINFHSA-N	305.363	1.145	50	20	DDGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CC[C@@H](B(O)O)C1	585076759	OBXOEAOZIZGYQT-CYBMUJFWSA-N	317.173	1.677	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)Cc2ccc(Cl)cc2)n[nH]1	738477806	SZPTZGZYNZQLTF-UHFFFAOYSA-N	321.768	1.445	50	20	DDGD	
CCCN(C)CC(=O)NNC(=O)CSc1ccc(C)cc1	730095848	JPJNVNYQOWIJFK-UHFFFAOYSA-N	309.435	1.576	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1cnc(-c2ccccc2)nc1	735411682	PXKHFDQSOICIJH-UHFFFAOYSA-N	306.329	1.939	50	20	DDGD	
COCCN(C)NC(=O)[C@H](c1c(F)cccc1Cl)N(C)C	837622964	FTEAEZLLIKAZHU-ZDUSSCGKSA-N	317.792	1.691	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC[C@@H]2CCCO2)cc1F	837313253	KFOMBBATALBPSF-JTQLQIEISA-N	311.313	1.417	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CC=C(C#N)CC2)C1	831488300	ORDDTQQISYLCKR-JOCQHMNTSA-N	305.378	1.972	50	20	DDGD	
CCc1n[nH]cc1C(=O)NNC(=O)c1c(C)nc2ccccn12	917938031	AJQSIUIJIYHSQB-UHFFFAOYSA-N	312.333	1.003	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2	846637068	BBTOUFNRAFKART-FRRDWIJNSA-N	310.394	1.525	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CCSc2ccc(F)cc21	744818478	YELPQYBLKPYNDX-UHFFFAOYSA-N	309.366	1.666	50	20	DDGD	
COCCOc1ccc(C(C)=NNC(=O)c2ncccn2)cc1	841659538	HQUMMANOAOVTTM-UHFFFAOYSA-N	314.345	1.656	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)[C@H]2CCCCO2)CCc2ccccc21	843600580	FTVYKDNQGDFXRE-PBHICJAKSA-N	302.374	1.607	50	20	DDGD	
N#Cc1ccc(NNC(=O)N[C@@H](CCN)C(F)(F)F)cc1	841332344	FBLXFNDWGMTUFL-JTQLQIEISA-N	301.272	1.464	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCCCC1)c1cn(C)nc1C	917542948	ADNDPQGZANCEGT-GFCCVEGCSA-N	305.426	1.691	50	20	DDGD	
CCNCCCNC(=O)NNC(=O)Nc1cc(F)cc(F)c1	841917294	KGIITVJCNCQXCO-UHFFFAOYSA-N	315.324	1.300	50	20	DDGD	
O=C(NN=Cc1coc2ccccc12)C(=O)Nc1ccccn1	746578495	OAZSBRZJNVFMBG-UHFFFAOYSA-N	308.297	1.917	50	20	DDGD	
Cc1cc(C=NNC(=O)c2ccccn2)ccc1-n1cncn1	743419308	SMQNIWWAEQMJQR-UHFFFAOYSA-N	306.329	1.735	50	20	DDGD	
COc1cc(Cl)cc(C=NNC(=O)[C@@H]2CCO[C@H]2C)c1O	842560564	GSXKDRJCXNRQLA-GZMMTYOYSA-N	312.753	1.929	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H](C)c1ccco1	741547688	CRTBIHTWWPXGMN-NSHDSACASA-N	302.330	1.782	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Cc1ccc(NC(=O)C2CC2)cc1	742518432	BWEWRIAYAGOGIB-UHFFFAOYSA-N	317.389	1.771	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc(COC)cc1	741763551	ABEWVJMFWYVMJC-UHFFFAOYSA-N	305.378	1.588	50	20	DDGD	
CC1=CC(=NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1	916305487	KPJBWJOYXUGOHK-UHFFFAOYSA-N	321.402	1.763	50	20	DDGD	
COc1nc(Cl)c(C=NNC(=O)[C@H]2CCO[C@@H]2C)s1	842550865	ALZFTXLFXPTNOP-RQJHMYQMSA-N	303.771	1.680	50	20	DDGD	
CCC(C)(C)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1	744928032	DNTXQBBRRZAACE-UHFFFAOYSA-N	317.345	1.299	50	20	DDGD	
CCS(=O)(=O)c1ccc(C(=O)NNc2ncccn2)cc1	745843733	ONASFAVBQVBDLF-UHFFFAOYSA-N	306.347	1.027	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)COC/C=C\c1ccccc1	843652090	HSLZYCQUSJTPTD-DFIIWKEWSA-N	318.373	1.289	50	20	DDGD	
COc1cccc2cc(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)oc12	843646101	OVRHFRCXDXYMGR-ONGXEEELSA-N	318.329	1.627	50	20	DDGD	
CCC(=O)c1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)ccc1F	843660980	LYWBOABKGNMXIR-KOLCDFICSA-N	322.336	1.604	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCCOc1cccc(F)c1	843648074	VVAOZKWYKHQCQC-RISCZKNCSA-N	324.352	1.557	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@@H](CN)C1CC1)c1ccccc1	841945574	SARYVDUSNCUNOT-KBPBESRZSA-N	304.394	1.248	50	20	DDGD	
Cc1cc(NNC(=O)CCCN2C(=O)CNC2=O)ccc1Cl	928342581	ZCSKXLOZGSHEDY-UHFFFAOYSA-N	324.768	1.424	50	20	DDGD	
CC(C)Oc1ccccc1CC(=O)NNC(=O)c1ccc[nH]1	748698664	FRYFTIYRVWOHPP-UHFFFAOYSA-N	301.346	1.806	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)CCCCCS(N)(=O)=O	845953869	PIPBRBGWQVEHIJ-UHFFFAOYSA-N	317.386	1.426	50	20	DDGD	
O=C(CN1C2CCC1CC2)NNC(=O)c1ccccc1Cl	744386029	WTWHJIZIEJSBAX-UHFFFAOYSA-N	307.781	1.728	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(C)(C)CO	847959840	VRIKGHRHUZPFGS-SECBINFHSA-N	314.769	1.273	50	20	DDGD	
COCC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1)C1CC1	754259720	RFEYUNOMHOJAAI-UPJWGTAASA-N	311.426	1.260	50	20	DDGD	
CC[C@@H](C(=O)NN=C(C)CN1C(=O)CCC1=O)c1ccccc1	754943817	IYLQGMSDCZTFTP-CQSZACIVSA-N	315.373	1.821	50	20	DDGD	
Cn1c(=NNC(=O)c2cn(C3CC3)nn2)sc2ccccc21	858280002	YHYBUWVUBCVMNF-UHFFFAOYSA-N	314.374	1.412	50	20	DDGD	
Cn1ncc(NC(=O)NNc2ncc(Cl)cn2)c1C1CC1	856856523	HRJXPDAHXBPKFE-UHFFFAOYSA-N	307.745	1.890	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)c1ccc2ccccc2n1	755030467	ASRQNTDSURFXAE-NSHDSACASA-N	301.346	1.668	50	20	DDGD	
O=C(CN1CCCNC1=O)NNc1cc(Cl)ccc1Cl	752813109	QBXRMPMQTSENMO-UHFFFAOYSA-N	317.176	1.852	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2cccc(Cl)n2)[C@@H]2CCCC[C@H]2N1	854602359	CHKSUVBJQFQFFG-GARJFASQSA-N	322.796	1.873	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2csc([N+](=O)[O-])c2)nc1	759729506	WDONHHVSNNLWOY-UHFFFAOYSA-N	322.302	1.595	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cc(F)c(O)c(F)c1)C1CC1	855099975	RKEMKNNMVBZMHJ-ZCFIWIBFSA-N	315.345	1.578	50	20	DDGD	
C[C@]1(CNC[C@H](O)COC2CCOCC2)C[C@H]1Br	857241318	UPPTXGAOPMTOMA-CYZMBNFOSA-N	322.243	1.306	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)CCn1ncn(C)c1=O	928337905	XEKHKIIFQFSQLG-UHFFFAOYSA-N	309.757	1.077	50	20	DDGD	
CN(CC(=O)NNc1ncc(Cl)cn1)[C@H]1CCSC1	857357550	VUWAXNUVVMQWDK-VIFPVBQESA-N	301.803	1.010	50	20	DDGD	
C[C@@H]1COC[C@@H]1NC(=O)NNc1cccc(Br)n1	926020848	XFJGFQNGKUUWDN-SFYZADRCSA-N	315.171	1.505	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccc(C)c2cn[nH]c12	756526123	SKDCGYYQBDLQDR-UHFFFAOYSA-N	313.321	1.369	50	20	DDGD	
CCC[C@@H](CNC(=O)NNC(=O)N=c1cc[nH]cc1)OCC	858682508	NBXTUVBGRHHHJG-LBPRGKRZSA-N	309.370	1.044	50	20	DDGD	
CCOC1CC(=NNC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1	853372920	DMNMTMVLSRYBRM-ILMHWDKJSA-N	320.393	1.559	50	20	DDGD	
C=C[C@](C)(O)C(=O)NNC(=S)Nc1ccc(OCC)cc1	854189888	YUICYULPUGWUCT-AWEZNQCLSA-N	309.391	1.340	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CCCCNC(N)=O)ccc1C	857266812	CKPFOMDDOTYUAQ-UHFFFAOYSA-N	322.365	1.063	50	20	DDGD	
CCOCCC1(C(=O)NNC(=S)N[C@H](C)C2CC2)CCC1	855098848	MYIDNTRZPDNYJE-LLVKDONJSA-N	313.467	1.877	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CCCN2C2CC2)C[C@@H]1Br	857390129	BSCGPXZCAYHGLN-GMXVVIOVSA-N	301.228	1.903	50	20	DDGD	
COCCCN(CCO)C(=O)NC[C@@]1(C)C[C@@H]1Br	856955760	RAYCDDAEGXTBFC-CMPLNLGQSA-N	323.231	1.200	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=CC2CCOCC2)cc1C	755600013	DOXMPSKZJXRTQX-UHFFFAOYSA-N	303.362	1.771	50	20	DDGD	
Cn1c(=O)oc2cc(C=NNC(=O)CC(F)(F)F)ccc21	754942093	MLDHMYSEMYGAOB-UHFFFAOYSA-N	301.224	1.534	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)C1CC(F)(F)C1	753594950	XCELDCMRCCHATG-UHFFFAOYSA-N	303.334	1.666	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@H](CC)Oc1cccc(C)c1	753035584	RQNGVRKGLLNNGW-ZDUSSCGKSA-N	323.393	1.519	50	20	DDGD	
CC[C@]1(C(=O)NNC(=O)Nc2ccccc2C)CCNC1=O	868027669	YQKNPFOREOFBSL-HNNXBMFYSA-N	304.350	1.064	50	20	DDGD	
Cn1ccnc1-c1cccc(NCc2ccc(B(O)O)cc2)c1	864025230	GJARVHHQOSJPKJ-UHFFFAOYSA-N	307.162	1.379	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)n1	862521652	VLEGPMJHEPSJRP-VIFPVBQESA-N	316.283	1.386	50	20	DDGD	
COc1ccc(OCC(=O)NN=c2cc[nH]cc2Cl)cc1C	768230320	JLFPZEHVQOVNPL-UHFFFAOYSA-N	321.764	1.996	50	20	DDGD	
Cc1ccn2ncc(C(=O)NNc3ccnc(N(C)C)n3)c2c1	766848458	AJEJHUDUHQMZAG-UHFFFAOYSA-N	311.349	1.256	50	20	DDGD	
CC(=NNC(=O)c1cc(C)[nH]n1)c1ccc2c(c1)NC(=O)CO2	764795796	ZMWDQCGMXKTYKG-UHFFFAOYSA-N	313.317	1.203	50	20	DDGD	
CC[S@@](=O)c1ccccc1C(=O)NN[C@H](C)C(F)(F)F	862304647	DLDUXTKNEUEDJY-ZPWHCFADSA-N	308.325	1.999	50	20	DDGD	
C[C@H](NNC(=O)c1ccc(N2CCCC2)nn1)C(F)(F)F	862312603	PQKACNARXPAYHY-QMMMGPOBSA-N	303.288	1.262	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CCC(=O)c1ccc(Cl)cn1	768979510	GBNMXGDVADMQKQ-UHFFFAOYSA-N	311.769	1.891	50	20	DDGD	
O=C(NNC(=O)[C@@]1(O)CCSC1)C12CC3CC(CC(C3)C1)C2	765528444	HVVWLPVAVCNXJQ-MZUCJFPPSA-N	324.446	1.218	50	20	DDGD	
C[C@H](NNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)C(F)(F)F	862317743	LWZRWQNYMKDYBL-JOYOIKCWSA-N	310.279	1.812	50	20	DDGD	
Cc1oc(C(=O)NC[C@]2(C)C[C@H]2Br)cc1CO	869356064	CNDQLNJZVDMUPY-PWSUYJOCSA-N	302.168	1.984	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)c2ccc(Cl)c(Cl)c2)N1	862448699	GCHXIMRIEYJFHK-VIFPVBQESA-N	316.144	1.033	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2cc(C)cs2)CCOCC1	862479532	RLCNETFMCGJONC-UHFFFAOYSA-N	312.391	1.261	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCc1ccc(F)cn1	764375373	AZJYYWMHNPWWKO-UHFFFAOYSA-N	316.336	1.684	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NN=C3CCN(C)C3=O)n[nH]2)cc1	761783007	SXNLXDFSDLPJKL-UHFFFAOYSA-N	311.345	1.333	50	20	DDGD	
O=C(CO[C@H]1CCOC1)NNc1ccccc1Br	1116345060	BUSXSYFPVNGEBJ-VIFPVBQESA-N	315.167	1.698	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H]1c2c[nH]nc2CC[C@H]1C	878001244	USKYPNHNBVPTEG-IAQYHMDHSA-N	312.373	1.845	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)NCc1ccccn1	764496625	WRGMEUHLXTWVGH-UHFFFAOYSA-N	320.374	1.311	50	20	DDGD	
O=C(NNc1ccc(F)cn1)c1ccc(N2CCCC2)nn1	874651097	IHHXNKBURJGQOY-UHFFFAOYSA-N	302.313	1.368	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNC(=O)c1ccc(CC)cc1)C(C)C	873799354	ZKGWWEGVCRIALR-AWEZNQCLSA-N	320.389	1.845	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCCCC(N)=O	772854031	ZICPDTDDRXJPJY-UHFFFAOYSA-N	300.790	1.124	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNc1ccnc(Br)c1	771551802	MAKZCBTWUFPMBL-UHFFFAOYSA-N	324.182	1.951	50	20	DDGD	
C[C@@H](CBr)COC(=O)CCn1cc([N+](=O)[O-])cn1	770360823	IGSOXPVCYNBCIT-QMMMGPOBSA-N	320.143	1.756	50	20	DDGD	
CC[C@H](NNC(=O)c1cn[nH]c1)C(=O)Nc1ccc(C)cc1	871896954	OUBHJHMLFIQRHN-ZDUSSCGKSA-N	301.350	1.370	50	20	DDGD	
O=C(NNC(=S)NCCc1ccccc1)[C@@H]1CCCCO1	772221873	WTRURGGXKXOHQR-ZDUSSCGKSA-N	307.419	1.294	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)C(=O)Nc1c(C)noc1C	770822094	STEWBUPPTYDSNA-UHFFFAOYSA-N	306.297	1.821	50	20	DDGD	
O=C(NC[C@H]1COCCN1)[C@@]12CC[C@@H](C[C@H]1Br)C2	877039701	OBCIKKGJZZEPHI-MEWQQHAOSA-N	317.227	1.045	50	20	DDGD	
CCC[C@@H](C)C(=O)NCCNC(=O)NNc1cccc(C)n1	875616365	BPCGDXSIVITPJF-LLVKDONJSA-N	307.398	1.569	50	20	DDGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)[C@H](C)N(C)C)cc1	874949079	BCEQGLNKSIPVOD-NSHDSACASA-N	324.450	1.742	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)COC2(C)CCC2)c1	773250042	BPCJNYZINJOBOY-UHFFFAOYSA-N	320.389	1.789	50	20	DDGD	
CCCC(=O)N1CCC[C@@H]1C(=O)NNc1nccnc1C(C)C	772860537	OCVSCBROKSCRGK-GFCCVEGCSA-N	319.409	1.834	50	20	DDGD	
CC#CCCNC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	776205962	RJZQXUYQHFVWTK-UHFFFAOYSA-N	311.345	1.230	50	20	DDGD	
COc1cc(OC)c(OC)cc1C=NNC(=O)C1CCOCC1	1119303956	DTRQSWRJTLONLB-UHFFFAOYSA-N	322.361	1.589	50	20	DDGD	
C[C@H](CBr)CN1CCN(c2nc(N)ns2)CC1	770667745	UDECDUVTBSMMFL-MRVPVSSYSA-N	320.260	1.273	50	20	DDGD	
COC[C@@H](C)n1ccc(NC(=O)NNc2nccc(OC)n2)n1	779933751	AZIKRDUUUAIQMJ-SECBINFHSA-N	321.341	1.038	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1cnn(C[C@H]2CCCO2)c1	770038693	HTVWDCHFAGKPBJ-LLVKDONJSA-N	309.370	1.261	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C(C)[C@H]1CCCOC1	779759415	KEQWSUAWHGWCQG-ZDUSSCGKSA-N	306.362	1.993	50	20	DDGD	
Cc1cc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)ccc1F	772089125	PSQDVHIEPPYQAF-NSHDSACASA-N	324.352	1.873	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1F)[C@H]1CCS(=O)(=O)C1	885109701	AFTABBIKYDVEMK-ZETCQYMHSA-N	306.746	1.357	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cccc2nsnc12	880158081	XENMALIYTCDPKG-JTQLQIEISA-N	306.347	1.021	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)C#Cc1ccc2c(c1)OCO2	772850242	ZVZANQABRPPVMF-UHFFFAOYSA-N	324.340	1.824	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(CC(F)F)C1CCC1	887100926	XPRSBGSSGXWMJU-JTQLQIEISA-N	305.369	1.688	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N1CC[C@@](F)(C#N)C1)c1ccccc1	786118480	WEWZHRDUOPIWKC-MRXNPFEDSA-N	318.352	1.643	50	20	DDGD	
C[C@H](NS(=O)(=O)CBr)[C@@H](O)Cc1ccccc1	782471679	BOBPWRVLZCEXMZ-ONGXEEELSA-N	322.224	1.250	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H]1CCO[C@@H](c2ccncc2)C1	882238825	XEXJLPAKXFGWRK-CHWSQXEVSA-N	318.826	1.850	50	20	DDGD	
CC(C)[C@@H](F)C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	784146527	SUUUQJFPKOCBBJ-CYBMUJFWSA-N	304.325	1.832	50	20	DDGD	
O=C(C[C@@H]1C(=O)Nc2ccccc21)NNc1ncncc1Cl	781829149	ICUDSCCVHWXYCD-VIFPVBQESA-N	317.736	1.699	50	20	DDGD	
Cc1cc(C=NNC(=O)COc2ccccc2C#N)sn1	785451196	PPAJONASXKUFEN-UHFFFAOYSA-N	300.343	1.852	50	20	DDGD	
O=C(NN=C1CCOC[C@@H]1CN1CCCCC1)c1cccnc1	787146135	VSGRIFNDICFXRL-HNNXBMFYSA-N	316.405	1.690	50	20	DDGD	
Cc1ccc2c(CC(=O)NNC(=O)C3CCOCC3)coc2c1	894097587	OJGDAKFYYMCJFG-UHFFFAOYSA-N	316.357	1.858	50	20	DDGD	
O=C(Cc1ccc(Cl)cn1)NNC(=O)NC1CCCCC1	785684659	RQWVBJLOYINZBT-UHFFFAOYSA-N	310.785	1.941	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NC/C=C\Cl)cc1	899055174	JVOVIIZGPTVWRY-MBXJOHMKSA-N	311.769	1.711	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12	894254947	KYZJCLOVSMPROI-DIFFPNOSSA-N	315.373	1.480	50	20	DDGD	
C=C(CBr)COC(=O)c1cc(C(N)=O)cs1	795468596	YVAVXMKFPAAPGG-UHFFFAOYSA-N	304.165	1.955	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1cccc(Cl)n1	793053097	BZIVWCWJEONJSY-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCC(=O)NCC(F)F	797763852	WZBFPAZGNHGQLY-QMMMGPOBSA-N	315.158	1.294	50	20	DDGD	
O=C(NNC(=O)c1cc(C2CC2)no1)c1cccc([N+](=O)[O-])c1	799292739	NIPLSISMTLMCBN-UHFFFAOYSA-N	316.273	1.535	50	20	DDGD	
COc1ccc(/C=C(/C#N)S(N)(=O)=O)cc1OC(F)F	798232517	WYQNOJILACEQLU-YWEYNIOJSA-N	304.274	1.450	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCOc1ncccc1F	791033264	OQXVJVZTISEHLR-UHFFFAOYSA-N	305.313	1.629	50	20	DDGD	
CCc1occc1C(=O)NNC(=O)c1cc(OC)cc(OC)c1	797410405	DUMHHSDLASOJOV-UHFFFAOYSA-N	318.329	1.934	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NN=Cc2cn(C)cn2)c1C	794480886	HSDRONBHLYTTEN-CYBMUJFWSA-N	300.362	1.955	50	20	DDGD	
C=C(CBr)CN(C)CCN(C)C1CCN(C)CC1	791484458	TUYBNMXUVKSJDK-UHFFFAOYSA-N	318.303	1.895	50	20	DDGD	
COCc1cc(C=NNC(=O)c2ccc(O)c(Cl)c2)no1	794912564	HYOPYUHRSJPKKZ-UHFFFAOYSA-N	309.709	1.944	50	20	DDGD	
CCNC(=O)N1CCN(C[C@H](CBr)C2CC2)CC1	721660048	BINFEFYVEUBUGR-LBPRGKRZSA-N	318.259	1.755	50	20	DDGD	
Cn1nccc1[C@@H]1CCCC(=NNC(=O)CN2CCCC2=O)C1	790287939	PZVVRNWLKFSMKD-GFCCVEGCSA-N	317.393	1.172	50	20	DDGD	
CC(=NNC(=O)COCc1ccccc1)c1ccc(O)nn1	790167426	GDGYDZVQJSRTTN-UHFFFAOYSA-N	300.318	1.239	50	20	DDGD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)NCCc1cccs1	793208195	UGTNUOUXDCGWPQ-MNOVXSKESA-N	323.418	1.626	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CCC1=O	1319602078	XZDLNGIIHQDQBB-UWVGGRQHSA-N	318.377	1.055	50	20	DDGD	
Cc1cn(CC(=O)NNc2ccnc(N(C)C)n2)c2ccccc12	1318657995	IXSSVOJDNXZEOV-UHFFFAOYSA-N	324.388	1.949	50	20	DDGD	
COc1ccccc1C1(C(=O)NNC(=O)NC2CC2)CCC1	1318100412	YROWNQYZBKKKLH-UHFFFAOYSA-N	303.362	1.610	50	20	DDGD	
COCCC1(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CCC1	1319307247	ALDKEQZXILOFOD-UHFFFAOYSA-N	320.393	1.256	50	20	DDGD	
Cn1ccc(NNC(=O)c2cc(Cl)nc(N3CCCC3)c2)n1	1320949672	VOIDGEBMRNPJKA-UHFFFAOYSA-N	320.784	1.826	50	20	DDGD	
O=C(NNc1cccnn1)c1csc(Nc2ccccn2)n1	1325254377	HTVQLLVBRNINTJ-UHFFFAOYSA-N	313.346	1.829	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2n[nH]c3c2CCCC3)CC[C@@H]1C(=O)O	1324253914	NOIQNMYDKPHUNX-KOLCDFICSA-N	318.377	1.895	50	20	DDGD	
CC(C)(C)CCNC(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1328932138	ZDISFTYANVAGOF-RNCFNFMXSA-N	319.243	1.829	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNC(=S)NC(C)C)cc1	1324462992	JJZOKBVCRXXYBS-NSHDSACASA-N	309.435	1.778	50	20	DDGD	
Cn1ccc(NNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)n1	1325746814	UEIBWNZQURMJJX-UHFFFAOYSA-N	303.322	1.749	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccc(F)cc1F	1332471440	VVKBHJZUTVBGLP-HOTUBEGUSA-N	312.316	1.641	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@H]1CNCC1(C)C)c1ccccc1	1335704075	PAAXBSQNMFKICJ-KBPBESRZSA-N	318.421	1.509	50	20	DDGD	
C[C@H]1CN(c2nnnn2C[C@@]2(C)C[C@@H]2Br)CCO1	1335978089	TWINUYZVSZLNBF-ATZCPNFKSA-N	316.203	1.072	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ccc(C#N)c(C)n1	1342030705	ZZVDRSPPYNAVFJ-UHFFFAOYSA-N	310.313	1.805	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21	1341279927	IGSUKSPIWOQMHD-SAFZEOACSA-N	315.373	1.080	50	20	DDGD	
Cc1ccc(C(=O)O)cc1S(=O)(=O)NCCCSC#N	1607746136	DBKVWGVRWKKDKQ-UHFFFAOYSA-N	314.388	1.576	50	20	DDGD	
O=C(CCn1ccccc1=O)NNc1cccc(F)c1C(=O)O	1608324327	YHPUYYKQWQOUIF-UHFFFAOYSA-N	319.292	1.219	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cn(C3CCC3)nn2)c(F)c1	1608904964	RWRRRDCIAHTXNZ-UHFFFAOYSA-N	319.296	1.597	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1c[nH]c(C(=O)O)c1	1601558423	UBSGNKAUVLYODI-UHFFFAOYSA-N	315.211	1.279	50	20	DDGD	
O=C(NCC1CC2(C1)OCCO2)NNc1cccc(C(=O)O)c1	1608431779	GRAFNLWCUYHTHB-UHFFFAOYSA-N	321.333	1.164	50	20	DDGD	
O=C(NNc1cc(Br)ccc1F)[C@H]1C[C@H]1C(=O)O	1601554195	PSWFUPOAKIUKFH-NKWVEPMBSA-N	317.114	1.752	50	20	DDGD	
CC(C)[C@@H](F)C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1609087611	CPYVCPHFCJRUGL-SNVBAGLBSA-N	312.736	1.957	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@]2(C)CCCO2)ccc1-c1nn[nH]n1	1609399781	NYBCYUVSTLVIGE-OAHLLOKOSA-N	314.349	1.194	50	20	DDGD	
O=C(Cc1ccc(O)c(O)c1)NNc1cccc(C(=O)O)c1	1608363443	HXRZSOMRXCYADA-UHFFFAOYSA-N	302.286	1.482	50	20	DDGD	
O=C(NN=Cc1cccc2cnccc12)[C@H]1CN2CCC[C@@H]2CO1	1549322552	ZYMDOWREACBUSW-NVXWUHKLSA-N	324.384	1.548	50	20	DDGD	
CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Br	1800156368	RBVSXIVCTLYFGT-JXUBOQSCSA-N	307.163	1.335	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@H]2C=NNC(=O)c2cnsn2)cn1	1552918945	GTOOKIYHDNEBQM-JOYOIKCWSA-N	320.378	1.248	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H](C)NC2CC2)cc1C	1578060878	FBPLHMPIGMNTBS-LLVKDONJSA-N	305.378	1.755	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)C(C)(C)C#N)C1	1841138002	GDHZMWCDACWUBE-LLVKDONJSA-N	311.813	1.757	50	20	DDGD	
C#CCCCC(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843366949	YYYBFFPIDQIKEC-LBPRGKRZSA-N	300.761	1.528	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]c1=S)[C@]12CNC[C@@H]1C2	1580742882	IMGLYGFRFMVPGT-RMLUDKJBSA-N	301.375	1.345	50	20	DDGD	
CC1(C)OCC[C@@H]1NC(=O)NNc1cccc(-c2nn[nH]n2)c1	1590118078	KMBXIWCXKGRFQE-NSHDSACASA-N	317.353	1.060	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@@H]1F)C2	1845163337	QJSMVKCWNHPFKS-VWYCJHECSA-N	302.777	1.565	50	20	DDGD	
CSCCCC(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1599797497	LOFUDEURVJEKQF-UHFFFAOYSA-N	317.436	1.723	50	20	DDGD	
C[C@H](Oc1ccccn1)C(=O)NNc1ccc(C(=O)O)cc1F	1593656381	ZRCLULYTNSJFHW-VIFPVBQESA-N	319.292	1.830	50	20	DDGD	
CCOc1ccc(NNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)cc1	1590838807	DZPUZXVBENVAPQ-UHFFFAOYSA-N	313.321	1.350	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1CC2	1595760427	ZHRFATWGNZWOLS-YFKTTZPYSA-N	309.366	1.030	50	20	DDGD	
CCOC(CC(=O)NNc1ccc(C(=O)O)c(F)c1)OCC	1596783073	YFDOWSGNUZFRBY-UHFFFAOYSA-N	314.313	1.756	50	20	DDGD	
C[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)CCl	1792886112	HVMAKIKWGYHAQU-WISYIIOYSA-N	316.829	1.270	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CCCCO1	161281161	CYIHYFXVXPVQAK-ZWNOBZJWSA-N	310.325	1.310	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cn(-c2ccccc2)nn1	151501462	TXKVKPKSYQDMGD-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)NCC1(C2CC2)CC1	152302658	FOBSKQDLBGTHFI-UHFFFAOYSA-N	321.352	1.725	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@H]2CCCCO2)cc1	153550068	LUWBIPMMRSAQAL-CYBMUJFWSA-N	306.366	1.474	50	20	DDGD	
O=C(CC1CCCCC1)NNc1nccc(N2CCOCC2)n1	155583766	APLKIHDOEXMJHF-UHFFFAOYSA-N	319.409	1.727	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)C[C@@H]1COC(=O)C1	862287825	WLBLJGFHDIVYOG-LBPRGKRZSA-N	306.318	1.239	50	20	DDGD	
CC(=O)N/C(=C\c1ccccc1)C(=O)NNC(=O)c1ccccn1	7909545	NJKYQAJHDDZBQP-PTNGSMBKSA-N	324.340	1.020	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNc1ncccn1)c1ccc(F)cc1	56936900	HCQXNKOAVCYYCE-CYBMUJFWSA-N	318.356	1.545	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)COc1cc(C)cc(C)c1	173059251	PSPFISNOSNGZGJ-UHFFFAOYSA-N	320.389	1.812	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1ccc(F)c(F)c1F	103274581	ZAYSTCVTZQVQMP-MRVPVSSYSA-N	306.284	1.989	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NNC(=O)Cc1ccc2ccccc2c1	55007454	PYXRSTCWXXJDSJ-VBKFSLOCSA-N	323.352	1.974	50	20	DDGD	
Cc1ocnc1C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	112824312	SKCOCYDRXQAMAY-UHFFFAOYSA-N	311.301	1.244	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@@H]2Cc3ccccc32)n1	175362454	YLBDULHNIDWZOY-LBPRGKRZSA-N	313.361	1.760	50	20	DDGD	
CS[C@@H](C)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	103523352	DBAZSWUXRAURLJ-ZETCQYMHSA-N	324.374	1.878	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CC[C@H]1CCCO1	55355335	MVVMTMIUQRXPAN-CYBMUJFWSA-N	306.362	1.344	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)cn1	22415266	BFZNDJVMSWMKQZ-UHFFFAOYSA-N	321.340	1.855	50	20	DDGD	
CC(=O)N1CCc2cc(C(=O)NNC(=O)c3ccccc3)ccc21	27576360	PTXGKGRFFHPMFB-UHFFFAOYSA-N	323.352	1.670	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@H]2C[C@H]2C2CC2)cc1	175874033	HWPVULAAWTURSS-KBPBESRZSA-N	303.362	1.301	50	20	DDGD	
CCc1nn(C)cc1/C=C(\C#N)C(=O)NCCCOC(C)C	179726081	RLTXERRIVLWJBM-UKTHLTGXSA-N	304.394	1.821	50	20	DDGD	
CC(C)CCC(=O)NCC(=O)NNc1ccc(C(C)(C)C)nn1	118525084	DEIMXMDVGDDNCL-UHFFFAOYSA-N	321.425	1.770	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)Nc2ccccc2C)on1	64230405	OSFPPYKBQDURKG-UHFFFAOYSA-N	303.322	1.827	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cccc2c1CCC2	179544384	WFDUMYOJLQGPJU-UHFFFAOYSA-N	309.460	1.647	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)CCc1ccccc1O	173159659	DUNINZUOQXDWLG-UHFFFAOYSA-N	306.362	1.455	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@@H](C)C(C)C	171881863	ZWCILVVRAIXISB-LBPRGKRZSA-N	308.378	1.904	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cnn2ccncc12	1346200951	TUKXFJGYKXXZRV-UHFFFAOYSA-N	312.289	1.703	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNC(=O)NCCc1cccs1	65203217	PGUHVJUPWUQBAP-UHFFFAOYSA-N	322.390	1.469	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	172158576	LBNWUTLNFJYAFF-JXJLXUTGSA-N	322.336	1.308	50	20	DDGD	
O=C(CCCNc1ccc([N+](=O)[O-])cc1)NNC(=O)NC1CC1	64900898	JQCUMDLOXJYATR-UHFFFAOYSA-N	321.337	1.280	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc(Cl)cc2C)nn1	123690182	VOOSOWHWHCTACM-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)CNc2ccccc2)c1	121187985	KTXYHJSXFJYTPY-UHFFFAOYSA-N	312.373	1.626	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CNc2ccccc2)cc1O	188250839	DVQCVJFJWIECEF-UHFFFAOYSA-N	310.313	1.137	50	20	DDGD	
CO[C@H](C)CCC(=O)NNC(=O)Cn1ccc2ccccc21	181365886	KGSVBWYMPZDRAR-GFCCVEGCSA-N	303.362	1.604	50	20	DDGD	
CCCC[C@@H](NC(N)=O)C(=O)NNc1ccc(C#N)c(Cl)c1	182407432	SWMDSKCIZXANHI-GFCCVEGCSA-N	323.784	1.882	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(OC(F)(F)F)cc1	32262741	QEYSTZDMCHZXKP-JTQLQIEISA-N	318.251	1.525	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cccc(-n2cccn2)n1	76558575	RGJGFYGFVUQQGQ-UHFFFAOYSA-N	303.322	1.437	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1ccc2nncn2c1	129906835	RHLFYHLZWOUTSF-UHFFFAOYSA-N	320.312	1.285	50	20	DDGD	
O=C(CCNC(=O)C1CCCCC1)NNc1ncc(F)cn1	122590508	QHADHIVYZNJAPI-UHFFFAOYSA-N	309.345	1.145	50	20	DDGD	
Cc1cc(F)cc(NC(=O)NNC(=O)Cc2cccnc2)c1	183281478	LQEFDCWEXOCURK-UHFFFAOYSA-N	302.309	1.925	50	20	DDGD	
COc1cccc(NNC(=O)c2cc3ccccc3c(=O)[nH]2)n1	183036211	MWWITYPFDPYKRJ-UHFFFAOYSA-N	310.313	1.689	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)/C=C/c2ccc[nH]2)c1	189538998	LOVNSVKWUBXQKA-AATRIKPKSA-N	313.357	1.871	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ccc(C(F)(F)F)cn1	132273928	FOUYPUVANDNBKP-JGVFFNPUSA-N	303.240	1.353	50	20	DDGD	
CCC[C@@H]1C[C@@H](C(=O)NNc2cc(Cl)nc(N)n2)CCO1	134099909	JJTNAWGCVQGSHN-DTWKUNHWSA-N	313.789	1.751	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccnc(F)c1)NC(=O)C1CCCC1	182430120	RRLLZEKOATURBK-JTQLQIEISA-N	308.357	1.749	50	20	DDGD	
CC(C)N(CCNC(=O)NNC(=O)c1ccccc1F)C(C)C	43064440	FVWFJGYGRPCIFY-UHFFFAOYSA-N	324.400	1.889	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2coc(C3CCC3)n2)cc1	192466187	WLHDVDAHMJAQCZ-UHFFFAOYSA-N	310.313	1.889	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)NC1CCN(C2CC2)CC1	45410413	YYBQQHQKANCDEL-UHFFFAOYSA-N	302.378	1.257	50	20	DDGD	
C[C@H]1CCC[C@](CNC(=O)NNC(=O)c2ccc[nH]2)(N(C)C)C1	131803084	ASWFNLRCAOSQJL-LRDDRELGSA-N	321.425	1.469	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)CCOCC(F)F)c1	190693130	FDDCRIUYZLUCSF-UHFFFAOYSA-N	315.320	1.185	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)Nc1cnc(C2CC2)nc1	192207702	KNLXECUJTWEHQI-UHFFFAOYSA-N	310.321	1.545	50	20	DDGD	
Cn1nc(C(=O)NNc2ccccc2C(F)(F)F)ccc1=O	45480695	PMWAPHDDZOCIBB-UHFFFAOYSA-N	312.251	1.556	50	20	DDGD	
CO[C@]1(C)C[C@H](NC(=O)NNC(=O)c2ccccc2)C1(C)C	80604615	XZEZIEGZOBWJTL-BLLLJJGKSA-N	305.378	1.834	50	20	DDGD	
CC[C@@H](C)[C@H](C)NC(=O)NNC(=O)COc1ccc(C#N)cc1	194448346	KLPRVTPWCDZSPU-NEPJUHHUSA-N	318.377	1.702	50	20	DDGD	
CNC(=O)/C(C#N)=C\c1cc(OC)c(O)cc1Br	49391220	KHGZRITZKVLCQK-BAQGIRSFSA-N	311.135	1.816	50	20	DDGD	
Cc1nc(-c2ccco2)ccc1C(=O)NNC(=O)C(C)(C)O	190075414	OSPKIKNTNVCALZ-UHFFFAOYSA-N	303.318	1.182	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2ccc[nH]2)cnn1-c1ccccn1	97255740	OYTLKXAJUGEJKT-UHFFFAOYSA-N	324.344	1.233	50	20	DDGD	
Cc1cc(/C=C(/C#N)C(N)=C(C#N)C#N)ccc1-n1cncn1	255912612	XSXHVPURXKHQBF-ACAGNQJTSA-N	301.313	1.743	50	20	DDGD	
COc1cccc(C=NNC(=O)c2sc(N)nc2C)c1OC	252643116	ZSLHYHXQTPUMHR-UHFFFAOYSA-N	320.374	1.815	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1csc(-c2cnccn2)n1	264090938	WJTOVHYFBDTTPO-UHFFFAOYSA-N	321.362	1.770	50	20	DDGD	
Cc1[nH]cnc1CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	267898780	XNFRJDFWWFVIPL-YIXHJXPBSA-N	308.345	1.460	50	20	DDGD	
C[C@@]1(CCCC(=O)NNc2ccc(Cl)cc2)NC(=O)NC1=O	269671897	XKDFCFCXMAXOEJ-AWEZNQCLSA-N	324.768	1.552	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCCOC1CCCCC1	264177936	XUDMPPXSDCXHJK-UHFFFAOYSA-N	320.393	1.304	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)NNc1ccc(Cl)nc1	266566933	WRHJGYHCCUVCJK-UHFFFAOYSA-N	305.787	1.249	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](C)NC(=O)C(C)(C)C)c1	272803540	JSSUZKGKDLNOIZ-JTQLQIEISA-N	321.377	1.467	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCCc1ccc2c(c1)CC(=O)N2	272714854	YPPWTQMQRPMTMB-UHFFFAOYSA-N	318.377	1.196	50	20	DDGD	
COc1ccc(NNC(=O)NCCN(C)CC(F)(F)F)nc1	275924722	HBIHHOHSIFLKJU-UHFFFAOYSA-N	321.303	1.210	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNc1cccc(C(=O)OC)c1	272775780	DSYVNXOUCWHHAU-UHFFFAOYSA-N	308.334	1.506	50	20	DDGD	
O=C(NCC[C@@H]1CCCCO1)NNC(=O)c1ccccc1F	272620104	WYVXEIYZJCQTTN-NSHDSACASA-N	309.341	1.729	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@H]2CCO[C@@H](C)C2)n1	271685580	RBLHOXQEWSBDGT-QWRGUYRKSA-N	309.370	1.235	50	20	DDGD	
CCNC(=O)N(C)NC(=O)COc1ccc(F)cc1Cl	272714828	YOZMVINTJYXDBF-UHFFFAOYSA-N	303.721	1.550	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(Cl)nn1)n1nnnc1C(C)(C)C	273397146	JRUMJQZMEMWWHH-SSDOTTSWSA-N	324.776	1.118	50	20	DDGD	
COCCOC1CCC(C(=O)NNC(=O)c2ccc(C)o2)CC1	279974346	QIZYSTKHGRNKHI-UHFFFAOYSA-N	324.377	1.571	50	20	DDGD	
C[C@@H]1c2nncn2CCN1C(=O)[C@@H](Br)C(C)(C)C	276897434	NIZIYIQJCFCMKF-RKDXNWHRSA-N	315.215	1.991	50	20	DDGD	
C=C(CBr)CN1CCc2c(ncn(CC)c2=O)C1	286382981	ZDQQPBZTTMXTKI-UHFFFAOYSA-N	312.211	1.572	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	282792795	WQFXYFZPYIVFMD-ICUOPCATSA-N	324.352	1.554	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(OC)c(Br)s1	286275361	IIQTZEPDAORRBS-UHFFFAOYSA-N	323.168	1.862	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)Cc1cccc(Cl)c1	289104253	HLPDYXUKUCFOHV-UHFFFAOYSA-N	305.787	1.336	50	20	DDGD	
COC[C@@]1(C)CCN(C(=O)NNC(=O)c2ccc(C)s2)C1	296503851	YJFUJGFRAKVCDB-AWEZNQCLSA-N	311.407	1.769	50	20	DDGD	
Cc1cc(C)nc(C(=O)NNC(=O)c2ccc(Cl)nc2)c1	801134743	OCGALLLRKZSWLG-UHFFFAOYSA-N	304.737	1.822	50	20	DDGD	
O=C(Cc1cccc(C(F)F)c1)NNC(=O)N=c1cc[nH]cc1	802035676	HDFCXLZGRGIFCX-UHFFFAOYSA-N	320.299	1.837	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc2nnc(C(C)C)n2c1	801740655	JBZQDZIQJYUATM-UHFFFAOYSA-N	304.354	1.661	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C1(C(=O)NC2CC2)CC1	805380190	GOEDNPIOFJJTGX-UHFFFAOYSA-N	318.333	1.405	50	20	DDGD	
O=C(NNC(=O)c1ccc(-n2cccn2)nc1)Nc1ccccc1	801987312	BFJMLBJKTPUXRG-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](C)OCc1ccc(F)cc1	295013191	STZWOHMDUDFVCZ-SNVBAGLBSA-N	320.324	1.673	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccncn1)[C@@H]1OCCc2sccc21	296889541	BGIHYQRDXPPRTI-RNCFNFMXSA-N	319.390	1.867	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2CCCO2)c(C2CCCCC2)n1	293895408	FKZBSCDDKNLUOF-ZDUSSCGKSA-N	320.393	1.408	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1csc2c1CCCC2	802035352	BNCQDTIORVYDIP-UHFFFAOYSA-N	316.386	1.910	50	20	DDGD	
COc1ccccc1[C@H](C)CC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	294403432	XQKXUFUXCMBFAT-XUJVJEKNSA-N	320.389	1.904	50	20	DDGD	
N#CCC1(CNC(=O)NNc2ccc3c(=O)[nH]ccc3c2)CC1	807197120	XOWRYZPTDXTIOK-UHFFFAOYSA-N	311.345	1.848	50	20	DDGD	
Cc1cccnc1CNC(=O)NNc1ccc(-n2ccnc2)nn1	805401752	ZSEYBBLTEZQIAW-UHFFFAOYSA-N	324.348	1.192	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2ccc(F)cc2)ccn1	806967668	RJHABLSLSVVNPD-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
CCc1c(C(=O)NNC(=O)[C@@H]2CCCO2)cnn1C(C)(C)C	294772410	YJNFZTUBLFXLDJ-LBPRGKRZSA-N	308.382	1.141	50	20	DDGD	
C[C@@H]1CCCCN1CCCCNC(=O)NNc1ccncn1	296210565	FBRXJQMMLHOFKC-CYBMUJFWSA-N	306.414	1.757	50	20	DDGD	
CCC[C@@H](C)C(=O)NCCNC(=O)NN(C)c1ccccc1	292820678	OVYRGRPUFOUBKS-CYBMUJFWSA-N	306.410	1.889	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc2nnc(C(C)C)n2c1	801744250	YXXPKBYMBQLOFV-UHFFFAOYSA-N	320.353	1.042	50	20	DDGD	
COC1CCC(CC(=O)NNC(=O)N=c2cc[nH]cc2)CC1	802028703	DCQQOMDDRRPADJ-UHFFFAOYSA-N	306.366	1.252	50	20	DDGD	
CC(C)O[C@H]1C[C@H](NC(=O)NNc2ncncc2F)C1(C)C	293209054	ZXOCCZMRAVVMNY-QWRGUYRKSA-N	311.361	1.834	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc2cc(F)ccc2[nH]1	295349507	IOTAWJVQSXZCPV-CYBMUJFWSA-N	305.309	1.637	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NNc1ncccc1F	805097174	LTNBDVOIBMIHQI-UHFFFAOYSA-N	319.296	1.200	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H]2CCc3nnn(C)c3C2)c1	290503249	MNKAJZOGQSBNCU-VIFPVBQESA-N	319.340	1.211	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@H](O)c1ccc(Cl)c(Cl)c1	294679983	JSDKMEBIBIIKLM-SECBINFHSA-N	306.149	1.329	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)CSc2ccccc2O)o1	813817096	YUIDEYWAXOTXKJ-UHFFFAOYSA-N	307.331	1.242	50	20	DDGD	
CSCc1cccnc1C(=O)NNC(=S)NCC1CCC1	810601623	CVKOHNNWGFQAIA-UHFFFAOYSA-N	324.475	1.854	50	20	DDGD	
C[C@H]1C(=NNC(=O)c2ccc(O)c(O)c2)CC[C@H]1CC(=O)O	814921217	WMQCOXGOHMZLSM-BDAKNGLRSA-N	306.318	1.704	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)Nc1cc(F)cc(F)c1	815006078	IUONRYQHWPQKMX-UHFFFAOYSA-N	305.306	1.507	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2c(C)nsc2C)nc1	815878752	SBOAXSZPSOUCFF-UHFFFAOYSA-N	306.347	1.698	50	20	DDGD	
CO[C@@](C)(C(=O)NNc1ncncc1F)c1ccccc1F	817077981	VGBBPECYTCDIDU-CQSZACIVSA-N	308.288	1.760	50	20	DDGD	
CCOc1ccc(NNC(=O)c2ccc(-n3cnnn3)cc2)cc1	817921378	UQAIFUHKATUEOZ-UHFFFAOYSA-N	324.344	1.818	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NN=Cc1cnn(CC(F)F)c1	814215883	WLEVJHWZCCRHNX-UHFFFAOYSA-N	310.279	1.980	50	20	DDGD	
Cn1cc(C(=O)NNc2cc(C#N)cc(Cl)n2)c(C2CC2)n1	813506817	QBXUTUIVAWOQNC-UHFFFAOYSA-N	316.752	1.974	50	20	DDGD	
CCOc1ccc(NNC(=O)CNc2ccc(C#N)cn2)cc1	817925514	HKGIZKOGHULNNN-UHFFFAOYSA-N	311.345	1.907	50	20	DDGD	
CN(C)CC(C)(C)CNC(=S)NNC(=O)CC1CCCC1	727084538	NZTRMEAEXMPBHC-UHFFFAOYSA-N	314.499	1.650	50	20	DDGD	
C[C@@H](CNC(=O)NNc1cccc(Cl)n1)Cn1cccn1	814284052	MXTORBSAHCOLBN-JTQLQIEISA-N	308.773	1.894	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CC[C@@H](C(=O)O)C[C@@H]1C	814865188	OJOYBVYGHACWBC-HBNTYKKESA-N	300.355	1.031	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)CCCC2CC2)cn1	812538430	PUJLHPHYZXAHCA-UHFFFAOYSA-N	308.407	1.988	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cccc3nc(O)[nH]c23)cc1	816820989	IGHDTWWLMTWWPC-UHFFFAOYSA-N	324.340	1.906	50	20	DDGD	
Cc1cc(O)cc(=O)n1CCC(=O)NNc1cccc(Cl)n1	817005117	FWDFFPXWSHWAEE-UHFFFAOYSA-N	322.752	1.444	50	20	DDGD	
CC(C)n1cnnc1[C@@H]1CCCN(S(=O)(=O)CCl)C1	820795045	RXZURSBVBJYFEX-SNVBAGLBSA-N	306.819	1.565	50	20	DDGD	
CCOC(=O)Nc1ccc(F)c(C(=O)NN(C)[C@H](C)CO)c1	823384601	PPEIKKUTQMKQSO-SECBINFHSA-N	313.329	1.352	50	20	DDGD	
CN1C[C@H](N(C)C(=O)/C(C#N)=C\c2ccc(O)cc2)CCC1=O	491009079	JKBYIPZZRJQBQL-RNQWEJQRSA-N	313.357	1.378	50	20	DDGD	
COc1ccccc1[C@H]1CCN(CC(=O)NNC(=O)C(C)C)C1	827873617	YJXBHFBVIFTZCG-ZDUSSCGKSA-N	319.405	1.288	50	20	DDGD	
CCc1nc(O)c(C(=O)NNC(=S)NCC2CCC2)cc1C	824437698	YPQOFYVBQGAPHJ-UHFFFAOYSA-N	322.434	1.567	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)NNc1ccnc(F)c1)C2	496559230	OUAYRSLYJNFQPC-DLOVCJGASA-N	320.324	1.307	50	20	DDGD	
COCCC(=NNC(=O)CNC(=O)OC(C)(C)C)C(C)C	494623919	HUGKJPGHMGVRIR-UHFFFAOYSA-N	301.387	1.676	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC[C@H](CC(N)=O)C1	491108277	XQXWKWMDALZHAO-SJWLEHQBSA-N	313.357	1.413	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)N(C)C	821158912	VWYMLBWIUYTIAK-MRVPVSSYSA-N	300.284	1.970	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)n1	823873969	JQLZSVCUXOAMBR-UHFFFAOYSA-N	322.796	1.793	50	20	DDGD	
CCC1CC(=O)C(=CNNC(=O)c2cccc(C#N)c2)C(=O)C1	728982315	XZJQFIQBJVZTEG-UHFFFAOYSA-N	311.341	1.635	50	20	DDGD	
C/C(=C\c1ccc(Br)o1)C(=O)NN(C)[C@H](C)CO	823907570	NFJLJYYGIUZIJR-BNICOGTQSA-N	317.183	1.789	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(OCc2ccccc2)cn1	823907524	MNBUHQSDAJUYJY-CYBMUJFWSA-N	315.373	1.618	50	20	DDGD	
CN(C)c1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)c2cn[nH]c2)cc1	827015286	GWARYQBNGJWANB-UONOGXRCSA-N	313.361	1.040	50	20	DDGD	
CC(C)(C)C=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	824077762	FJYRGIRMOARZKM-UHFFFAOYSA-N	302.338	1.394	50	20	DDGD	
CCc1nc(CCNC(=O)/C(C#N)=C\c2cnn(C)c2)cs1	491005752	BTQTZYIOJMVNRT-SDQBBNPISA-N	315.402	1.705	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@H]3CCC(=O)N3C)nc12	828358069	HEAPVZYPQNJYFO-SECBINFHSA-N	304.375	1.669	50	20	DDGD	
O=C(NNc1cccc2cnccc12)c1cc(-c2nn[nH]n2)c[nH]1	826449500	VYZWJZQQGIHQOZ-UHFFFAOYSA-N	320.316	1.500	50	20	DDGD	
CCN(CCO)NC(=O)COCc1nc2ccccc2s1	823837553	DWMNYVYQQPWIBQ-UHFFFAOYSA-N	309.391	1.158	50	20	DDGD	
C[C@H](NCc1cccc(B(O)O)c1)[C@H](O)c1ccc(Cl)cc1	585025059	KSNSUYLODKSXRW-ZBEGNZNMSA-N	319.597	1.232	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC[C@H](c2cccnc2)C1	827260107	OGHBHOWCLAYZOO-FPMFFAJLSA-N	318.377	1.037	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(N(C)c2ccccc2)nc1	823971637	XMTYKSUBXKYMHU-CYBMUJFWSA-N	314.389	1.807	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C\c1ccc(OCC(=O)OC)cc1	490839021	BYRICQYKJRJRCT-LCYFTJDESA-N	300.314	1.448	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)C2CC2)CC1)c1c[nH]c2ccccc12	822223317	PZDNSWMRFHYZBQ-UHFFFAOYSA-N	311.341	1.688	50	20	DDGD	
CC/C(C)=C(\C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	825053048	ZONTYMZBKMYORU-MDZDMXLPSA-N	314.349	1.374	50	20	DDGD	
CC(C)(C)/C=C\C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	735593549	JQJJDMOTOICBBK-FPLPWBNLSA-N	314.349	1.230	50	20	DDGD	
CCc1nnc(O)c(C(=O)NN(C)C(=O)OC(C)(C)C)c1CC	496795234	LWSNORXVMGVEGX-UHFFFAOYSA-N	324.381	1.819	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1cc(-c2nc(O)n[nH]2)ccc1C	491011636	PLSQPWVABDILKB-FLIBITNWSA-N	313.317	1.868	50	20	DDGD	
CN1C[C@@H](N(C)C(=O)/C(C#N)=C\c2ccc(O)cc2)CCC1=O	491009082	JKBYIPZZRJQBQL-XXYUJHKVSA-N	313.357	1.378	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)Cc1c[nH]c2ccccc12	491536233	IQAWZRHZJPGIBI-UHFFFAOYSA-N	305.341	1.690	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNC(=O)Nc1ccc(OC)cc1	836319372	UBFZRHKZHCBWPL-JTQLQIEISA-N	310.354	1.456	50	20	DDGD	
O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CC[C@H](B(O)O)C1	585063971	APTKMHNWAJKCRS-LBPRGKRZSA-N	312.178	1.736	50	20	DDGD	
O=C(NC[C@@H]1CCC[C@@H]1C1CC1)c1ccc(B(O)O)c(F)c1	585001803	DOYHWVWTDBKYKC-QWHCGFSZSA-N	305.158	1.062	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	737756919	QCGFOOBEQINXRU-UHFFFAOYSA-N	321.280	1.297	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)/C(C#N)=C\c2cnn(C)c2)C12CCC2	491046903	HTRQDUOLYUBSPF-VBUBNCOFSA-N	314.389	1.791	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NN=c1cc[nH]c2ccccc12	839665100	ZBNDJJJSLWFMPT-LBPRGKRZSA-N	300.362	1.247	50	20	DDGD	
C[C@H](C1CC1)N(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	839460442	JYFVMEYISZZBDN-SNVBAGLBSA-N	320.349	1.086	50	20	DDGD	
C[C@@H]1CCC[C@H](N2CCC(=NNC(=O)NCC(=O)O)CC2)C1	833606950	AZOVCIIQDKRSFQ-YPMHNXCESA-N	310.398	1.401	50	20	DDGD	
COC(=O)Cc1cccc(C(=O)NN(C)C(=O)OC(C)(C)C)c1	838371430	OPOAOAQFVKLRPW-UHFFFAOYSA-N	322.361	1.914	50	20	DDGD	
CC[C@H]1CN(C(=O)c2c(C)nn(CCCl)c2C)CC[C@H]1N	834646931	KLRPTMHSSWEFMF-QWHCGFSZSA-N	312.845	1.938	50	20	DDGD	
CN(C)C(=O)[C@H](NNC(=O)c1cccc(C#N)c1)c1ccccc1	734849643	JVHCTUNLVWVOAV-MRXNPFEDSA-N	322.368	1.622	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1cc2c(cc1O)OCO2	734260655	BQCTUBPKHXHOIF-UHFFFAOYSA-N	308.681	1.321	50	20	DDGD	
O=C(NNC(=O)[C@H]1SCCc2ccccc21)[C@@H]1CCCCO1	833247143	YTBSYVCFYJGMGX-KBPBESRZSA-N	320.414	1.734	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)COc1ccc(CO)cc1	834580865	QREPGPHEJUAJIU-UHFFFAOYSA-N	316.361	1.614	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2nn(C)c3c2CCCC3)n1	830961762	HDNDWSBUHHJLPQ-UHFFFAOYSA-N	313.361	1.077	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)[C@H]1[C@@H]2CCC(=O)[C@@H]12	907123934	NVDKRQHXMVRNAP-BDGWPESGSA-N	300.240	1.164	50	20	DDGD	
C[C@H]1CC[C@H](CNC(=O)NNC(=O)c2c[nH]c3ccccc23)O1	838741661	NXANOZKBUVIDGF-WDEREUQCSA-N	316.361	1.679	50	20	DDGD	
C=CC(C)(C)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1	837863712	HEQUIWSDEUAZDG-UHFFFAOYSA-N	315.329	1.075	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2)c1cccc(Cl)c1	837309410	MKOFNYHUWLRXGE-AXTRIDKLSA-N	306.749	1.716	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCC[C@H](O)C2CCCC2)cn1	831400908	FUIYDOCEIRXQKJ-OWTLUSIOSA-N	302.378	1.384	50	20	DDGD	
CC(C)(C#N)C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1	919350507	VYOVISCEOONORG-UHFFFAOYSA-N	323.736	1.194	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1	910177166	JBTYAYDHUOQJCZ-MRVPVSSYSA-N	309.347	1.767	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)Nc1cc(F)cc(F)c1	837604316	JWWQKLRUXJKMEY-UPZJHPNMSA-N	323.299	1.733	50	20	DDGD	
O=C(O)c1cc(OC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)ccc1[N+](=O)[O-]	740087428	MHCNCEOENDHBQR-NYRNMGCKSA-N	307.258	1.766	50	20	DDGD	
COCCn1cc(C=NNC(=O)[C@H](C)CN2CCCCC2)cn1	743429381	MLIUENCZELIZEU-CQSZACIVSA-N	321.425	1.102	50	20	DDGD	
CCN1CCCN(C(=O)/C(C#N)=C\c2cnn(C)c2)[C@@H](C)C1	910269362	FEPLCWMYMJSNOO-PBTLCFMXSA-N	301.394	1.270	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(CO)cc1	912770456	HXSNXEQODZDUGT-UHFFFAOYSA-N	315.285	1.162	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H](O)c1ccccc1C(F)(F)F	911439999	QCCIHWFISSDOQD-NSHDSACASA-N	306.284	1.084	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H]2C[C@@]23CCc2ccccc23)nc1O	743295810	RNOHFCXIIAKAHO-MLGOLLRUSA-N	311.345	1.233	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2C[C@@H]3[C@@H](C2)C3(C)C)cc1	741809932	ZDUNXQSKGSCOHN-ZIAGYGMSSA-N	301.390	1.344	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(-c2cccc(Cl)c2)on1	910170697	MXWFKCCHJHWOQP-SECBINFHSA-N	309.753	1.952	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=Cc2cscn2)c1	918711894	AZNDJVOBBZBQEE-UHFFFAOYSA-N	309.372	1.311	50	20	DDGD	
O=C(NN=Cc1cccs1)c1csc(N2CCOCC2)n1	916337805	LXQVRLHKKPQADH-UHFFFAOYSA-N	322.415	1.805	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)N[C@H]1[C@@H]2CNC[C@@H]21	841999438	BXCUERZYCPVXLL-VROVMSAKSA-N	318.274	1.688	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C	840238624	FOPHGYCFUZZWCB-ZJUUUORDSA-N	315.370	1.457	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N1C[C@H](C)C[C@H]1C	740902720	FWARTWFHQRQCQS-GHMZBOCLSA-N	315.377	1.727	50	20	DDGD	
CN1CCN(Cc2ccc(OCCCCl)cc2)[C@H](CN)C1	843122304	QJHRLMAEIYNVML-OAHLLOKOSA-N	311.857	1.769	50	20	DDGD	
C[C@H](CC(=O)NNc1nc2ccccc2n1C)c1cnn(C)c1	848380218	BZUOAHJTHFIBJV-LLVKDONJSA-N	312.377	1.944	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1	744818282	WHEPIZIHHUALRT-UHFFFAOYSA-N	324.724	1.367	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)CCN1C	741457850	VYECAATWZQBZPA-VIFPVBQESA-N	305.338	1.377	50	20	DDGD	
O=C(NNc1ncncc1Cl)N[C@H]1CCN(CC(F)F)C1	841593570	BKZAAODDJYMMIG-ZETCQYMHSA-N	320.731	1.096	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1c[nH]nc1-c1ccccc1	918364052	IHRBBBIVGDWLEL-UHFFFAOYSA-N	312.251	1.790	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1cccc(OC)c1O	844584107	MPNSEYIRCNYNKD-NSHDSACASA-N	310.350	1.293	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NC[C@@H]1CCCCN1	841920912	JNPPDQKTPBLBNP-AWEZNQCLSA-N	304.394	1.010	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cc(OC)cc(OC)c1	748253187	LVBLYDARVJIAMI-NSHDSACASA-N	310.350	1.205	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(Cl)c1	843652752	KZTVCNDOTKNCCQ-CMPLNLGQSA-N	310.781	1.763	50	20	DDGD	
Cc1cc2c(cc1C)O[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)C2	843654814	SOKKEFBVRUEULE-LNSITVRQSA-N	318.373	1.179	50	20	DDGD	
CCC[C@@H](CNC(=O)NNc1ccc(CC(=O)OC)cc1)OC	845226761	FLYQLQSITNVOGS-AWEZNQCLSA-N	323.393	1.843	50	20	DDGD	
COC/C(C)=C\C(=O)NNC(=O)c1cccc(OC(F)F)c1	844377950	ZVNQKODZYYFKPU-TWGQIWQCSA-N	314.288	1.642	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)N[C@H]2CCNC2)c(Cl)c1	841939615	QPVZCSQXLZOXCH-VIFPVBQESA-N	311.773	1.346	50	20	DDGD	
CC[C@@](C)(O)C(=O)NNC(=O)c1ccc(Cl)cc1OC	929585445	IOZAOKIOWOYZTE-CYBMUJFWSA-N	300.742	1.271	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)COc2ccccc2C#N)c2ncnn21	841609052	QPTCCPJSZDYONV-SNVBAGLBSA-N	310.317	1.014	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN[C@H](C)[C@H]2CCCOC2)c1	754569011	XCIBBVDPQYPKDZ-HIFRSBDPSA-N	319.405	1.161	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccccc1OCCOC	756212108	ITGFYWHCJUWECO-LLVKDONJSA-N	309.366	1.911	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(C)c(OC(F)F)c1	756571759	KCHAQPAFPLGFQO-UHFFFAOYSA-N	303.265	1.396	50	20	DDGD	
CN(CC1(O)CCC1)C(=O)NC[C@@]1(C)C[C@@H]1Br	856953724	TUUHSEYEAUTLID-GXSJLCMTSA-N	305.216	1.716	50	20	DDGD	
C[C@]1(CNC(=O)c2cccc3ncnn23)C[C@H]1Br	857392626	BCKJNPXHTKTZTI-BXKDBHETSA-N	309.167	1.633	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2csc(C=O)c2)nc1	759739216	QETGTGWTFHUZOI-UHFFFAOYSA-N	305.315	1.499	50	20	DDGD	
CCn1nncc1CNC(=O)NNc1c(F)cc(F)cc1F	923388637	QFMKUQBLZLMUSE-UHFFFAOYSA-N	314.271	1.542	50	20	DDGD	
CC(C[C@@H]1CCOC1)=NNC(=O)[C@@H]1COc2ccccc2O1	751517427	WNNOAPJXJMBGFY-WFASDCNBSA-N	304.346	1.745	50	20	DDGD	
CNC(=O)NNC(=O)CCCCC(=O)c1ccc(OC)cc1	759370968	ZSZHOLNVKWCXNF-UHFFFAOYSA-N	307.350	1.399	50	20	DDGD	
CCCC[C@H](C(=O)NNC(=O)C(=O)NC(CC)CC)C(C)C	857712572	QLSLHEHNTIMSLZ-ZDUSSCGKSA-N	313.442	1.901	50	20	DDGD	
CCN1CCC[C@H](NC(=O)[C@@H](Br)C(C)(C)C)C1=O	928870479	SBCLRCZCJBZRPH-VHSXEESVSA-N	319.243	1.923	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NNC(=O)C1CCOCC1	923061336	HDOQOEIKGVXXCS-VIFPVBQESA-N	321.215	1.370	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CC2(O)CCCC2)c1C	855627638	VOURGGWYFZESEE-UHFFFAOYSA-N	306.362	1.920	50	20	DDGD	
CCC1(Cn2cc(C(=O)NCCCSC#N)nn2)COC1	854366877	IVBDJGYPAOHOMA-UHFFFAOYSA-N	309.395	1.039	50	20	DDGD	
C[C@]1(CNC(=O)N[C@H]2CC[C@H](O)CC2)C[C@H]1Br	856881123	OPHKCFMJDFVAHR-DNRKLUKYSA-N	305.216	1.763	50	20	DDGD	
CCOc1ccc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)c(C)c1	853284442	CTGKOEJMFPTEPM-ZDUSSCGKSA-N	324.402	1.279	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncc(Cl)cn1)c1nnc2n1CCC2	856859128	KFNTUMDSOZVJEH-SSDOTTSWSA-N	322.760	1.055	50	20	DDGD	
COC(=O)[C@@H]1CCN(CCI)C[C@@H]1C	852651832	JYPZMWZEGYOSRY-DTWKUNHWSA-N	311.163	1.552	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@H](C)[C@@H](C)N1CCOCC1	853687263	NOVGQJHVALDOBJ-CHWSQXEVSA-N	324.400	1.869	50	20	DDGD	
C[C@@H]1OC(=O)N[C@H]1C(=O)OC[C@H](CBr)C1CC1	859666483	NSSIOKUDRRXSQV-CNUIFLNQSA-N	306.156	1.448	50	20	DDGD	
CCn1nc(C)c(CNC(=O)NNc2ncc(Cl)cn2)c1C	856856668	XDAFTEYBSOJNRK-UHFFFAOYSA-N	323.788	1.790	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1c2c(nn1C)CCCC2)C1CC1	855099256	VKOSCMQWBPBKNG-SECBINFHSA-N	321.450	1.206	50	20	DDGD	
CC1(C)CCC(C)(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1	858539533	GNXFQGOMFGYAAN-LLVKDONJSA-N	324.425	1.202	50	20	DDGD	
O=C(NN=Cc1cnc2n1CCC2)c1ccc2c(c1)OCCO2	853286946	YHEWJRVDCDWGEG-UHFFFAOYSA-N	312.329	1.364	50	20	DDGD	
CN(C)C(=O)CCCC(=O)NC[C@]1(C)C[C@@H]1Br	857733223	IBJJVJUTVMKUFR-CABZTGNLSA-N	305.216	1.535	50	20	DDGD	
CCOCC(=O)NN=CC1(CN2CCOCC2)CCCCC1	751133103	LVAFOYXZYIJYEO-UHFFFAOYSA-N	311.426	1.408	50	20	DDGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3cn(CC(=O)O)nn3)nc12	759081975	AWZFHKPZUHOZMS-RUDMXATFSA-N	309.289	1.007	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ccc3nccnc3c2)n1	753464675	SGEAEPXTNPYIAZ-UHFFFAOYSA-N	315.724	1.412	50	20	DDGD	
C[C@H]1CCCC[C@@H]1OCC(=O)NNC(=O)OCC(F)(F)F	856023410	IGVIVOLTPLRZRC-IUCAKERBSA-N	312.288	1.901	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cc(F)cc(Cl)c2)n1	756904009	SYUWBNYQWNTFQE-UHFFFAOYSA-N	324.743	1.754	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cccc(-c2nccs2)c1	756159874	MOIKOCOCZHGNHP-UHFFFAOYSA-N	320.374	1.999	50	20	DDGD	
CCC(=O)NNC(=O)Nc1nnc(Cc2ccccc2)s1	755407749	DUNMMSOUZXPWOP-UHFFFAOYSA-N	305.363	1.692	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)CC2CCCC2)COc2ccccc2O1	863863645	JHKCGINAQIXZFI-QGZVFWFLSA-N	318.373	1.944	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC[C@H](n2cccn2)C1	867289441	CLTVOWXMNJALJI-NSHDSACASA-N	305.831	1.725	50	20	DDGD	
C[C@@H](NNC(=O)[C@@]1(C2CCCC2)CCNC1=O)C(F)(F)F	862323268	TVSZUZZJUGJKJY-PRHODGIISA-N	307.316	1.255	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)CCC1(O)CCC1	866729486	MCNVIZWAHSYGOI-UHFFFAOYSA-N	312.391	1.228	50	20	DDGD	
Cn1ccc(C(=O)NNc2cc(C#N)cc(Cl)n2)cc1=O	768701250	BYDYJUDQMNCKEE-UHFFFAOYSA-N	303.709	1.062	50	20	DDGD	
COCCOCC(=O)NNC(=O)C[C@@H](c1ccccc1)C(C)C	869909296	PVARLVYEXJCLJL-OAHLLOKOSA-N	322.405	1.627	50	20	DDGD	
Cc1c(C(=O)NNc2ncc(F)cn2)cnn1-c1ccccn1	760912290	QIEGDDHEXLMBKB-UHFFFAOYSA-N	313.296	1.262	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@]1(CC)CCNC1=O)c1ccccc1	865695873	RMWSCYVNPDPMDK-GUYCJALGSA-N	317.389	1.244	50	20	DDGD	
O=C(NNC(=O)c1cncc(N2CCCC2)n1)c1ccccc1	864412686	QNWGWFSEIXASBT-UHFFFAOYSA-N	311.345	1.152	50	20	DDGD	
CC(=NNC(=O)c1cc(-c2ccccc2)[nH]n1)c1ccnn1C	765994875	ZNCDCDOGFIBKCI-UHFFFAOYSA-N	308.345	1.964	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H](C)n2ccc(C(F)(F)F)n2)cc[nH]1	869389446	XWDFDRHTEUIYFO-VIFPVBQESA-N	313.283	1.732	50	20	DDGD	
Cc1cc(=NNC(=O)[C@]2(c3ccccc3)CCC(=O)NC2)cc[nH]1	862513359	DMWGDKYBQHOCDB-GOSISDBHSA-N	324.384	1.103	50	20	DDGD	
COc1ccc([C@@H](NC(C)C)C(=O)NNC(=O)C(C)(C)C)cc1	1119517268	QLURUWZOTHCEJK-CQSZACIVSA-N	321.421	1.928	50	20	DDGD	
CCCNC(=O)NNC(=O)CCc1cncc2ccccc12	765321289	INSDKCWYJHDWRT-UHFFFAOYSA-N	300.362	1.908	50	20	DDGD	
COCCN(C)NC(=O)Nc1ncc(C2CCOCC2)s1	879748703	MWIPYBMXDLFURY-UHFFFAOYSA-N	314.411	1.652	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc(OCCN(C)C)c1	878280189	AGJMVWFDEOJFPB-UHFFFAOYSA-N	310.398	1.242	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(SC)cc1	771948781	RRNJBRYQFPINPE-VIFPVBQESA-N	310.375	1.511	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCc2ccccc21	771974527	ONRGLLKNMPWLRH-BXUZGUMPSA-N	318.373	1.596	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCC[C@@H](C[C@H]2CCOC2)C1	773544391	GCAKXFUDNADDSH-QWHCGFSZSA-N	311.426	1.912	50	20	DDGD	
Cc1cc(=NNC(=O)NCCCNc2ccccn2)cc[nH]1	875093874	ISGQZJJKFREEND-UHFFFAOYSA-N	300.366	1.335	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CCC3(CCO3)CC2)c1	1118864590	QQZZHWKWUJTUPC-UHFFFAOYSA-N	309.391	1.666	50	20	DDGD	
COc1ccc(CCNC(=O)NNc2cccc(C)n2)cc1O	876391660	PSBAKDXZDGCUOW-UHFFFAOYSA-N	316.361	1.973	50	20	DDGD	
O=S(=O)(CCCCl)N1CCN(Cc2ccccc2)CC1	36881377	VGZHJJCYYRUPBM-UHFFFAOYSA-N	316.854	1.763	50	20	DDGD	
Cc1cc(=NNC(=O)NCCCCN2CCC[C@@H](C)C2)cc[nH]1	875079134	XAMAZZCQVWNGLG-CQSZACIVSA-N	319.453	1.950	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCOc1ccccc1Cl	875415866	VVKBDEZPOHMMKX-UHFFFAOYSA-N	301.730	1.631	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(OC)c2cccnc12	879239078	OODSXVPFUSZVBZ-UHFFFAOYSA-N	304.350	1.858	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)N[C@H]1CC12CCC2	872883694	SROPZMIRUFERIB-AWEZNQCLSA-N	312.373	1.914	50	20	DDGD	
Cn1nc(NC(=O)NC[C@@]2(C)C[C@H]2Br)ccc1=O	879905716	QIGKRVRAANLCJR-RDDDGLTNSA-N	315.171	1.075	50	20	DDGD	
COc1cc(C)ccc1CNC(=O)NN=c1cc[nH]c(C)c1	875370197	ZPBYSFFNCWQSSH-UHFFFAOYSA-N	300.362	1.955	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@H](C)n2cccc2)c1	1116414277	OZZJKXJZSIWAKX-NSHDSACASA-N	317.345	1.528	50	20	DDGD	
COC(=O)[C@H](C)n1cccc1C=NNC(=O)NCc1ccco1	774585332	AOJNREKGVOMGLL-NSHDSACASA-N	318.333	1.648	50	20	DDGD	
Cc1cn2c(=O)c(C(=O)NNC(=O)C3CCCC3)cnc2s1	772596627	XLUMYSSRSVTOSH-UHFFFAOYSA-N	320.374	1.016	50	20	DDGD	
CC(C)[C@@](C)(O)C(=O)NNC(=O)c1ccc(Cl)cc1F	771397681	ADRAWVLGZRCBRZ-CYBMUJFWSA-N	302.733	1.647	50	20	DDGD	
CO[C@H]1CCC[C@H]1CNC(=O)NNC(=O)CCc1ccccc1	774785818	CNBYHRUSUAWCLL-GJZGRUSLSA-N	319.405	1.765	50	20	DDGD	
COC[C@@H](C)NC(=O)NNC(=O)c1cc(C)nc2ccccc12	770326945	KIBMWHKKKSQRHQ-LLVKDONJSA-N	316.361	1.522	50	20	DDGD	
COCC1(S(=O)(=O)NNC(=O)c2cc3ccccc3o2)CC1	882708973	RPYLQZSPAQCBLG-UHFFFAOYSA-N	324.358	1.176	50	20	DDGD	
O=C(NNC(=O)C1CC1)N[C@@H](CCc1ccccc1)C(F)F	881016640	BEGYBRHCVIJGJZ-LBPRGKRZSA-N	311.332	1.993	50	20	DDGD	
Cc1cc(NC(=O)NNc2ccc(Cl)nn2)c(=O)n(C)c1	770073401	KDORWYBNBCRKAO-UHFFFAOYSA-N	308.729	1.286	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](CC(C)C)N1CCCCC1=O	887145351	AIEXTQNNCZEXQD-AWEZNQCLSA-N	321.421	1.365	50	20	DDGD	
COCC(=O)N[C@H](C(=O)NNc1cc(F)ccc1F)C(C)C	885145430	ZMGCYXCNXCMUHN-ZDUSSCGKSA-N	315.320	1.195	50	20	DDGD	
C[C@H]1C[C@@H]1c1ccc(CNC(=O)NNC(=O)C2CCOCC2)o1	883155650	OFHMGMIQQBPAEX-GWCFXTLKSA-N	321.377	1.660	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCC(=NNC(=O)Cc2ccncc2)C1	788433295	MCPKDQOJOZJYDS-ZDUSSCGKSA-N	309.391	1.084	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cccc(Cl)c1)c1ncnn1C	788888204	ZAABJVCUFKPTMC-QMMMGPOBSA-N	322.756	1.174	50	20	DDGD	
COC(=O)COc1ccc(/C=C(\C#N)C(=O)O)cc1[N+](=O)[O-]	788688819	LRPWOPSFFALORN-RUDMXATFSA-N	306.230	1.138	50	20	DDGD	
Cc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)c2cccnn2)cc1C	882056481	WKSXISJAVQOHKR-UONOGXRCSA-N	310.357	1.658	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCOC(F)(F)F	788845321	VCSRISLOSZBYDC-UHFFFAOYSA-N	321.255	1.176	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNC(=O)c2ccc3ccccc3n2)CCN1C	788266976	JLXRRQUCJTWYLN-DGCLKSJQSA-N	312.373	1.336	50	20	DDGD	
Cn1c(NNC(=O)c2c[nH]nc2C2CC2)nc2ccccc2c1=O	789764736	PRFCYXGYQFXHIY-UHFFFAOYSA-N	324.344	1.291	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)c1cccn2c(O)nnc12	781019075	BFSNACTYGVOVOK-UHFFFAOYSA-N	304.697	1.240	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)/C(F)=C(/C)C1CC1	899940555	QJXOVDPBEVETGU-XNTDXEJSSA-N	322.336	1.875	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2noc3c2CCCCC3)n1	781939545	BUBYFLLXYQXALE-UHFFFAOYSA-N	316.365	1.556	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1ccc(OCCN2CCCC2)cc1	785466921	YWSCPGCJIWJSRO-UHFFFAOYSA-N	319.405	1.382	50	20	DDGD	
CCCCS(=O)(=O)/C(C#N)=C/c1cccc(C(=O)OC)n1	899369434	XTBGDNZWIZLNOR-FMIVXFBMSA-N	308.359	1.948	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)/C=C(/C)Cl	899939750	AMKKVCJUCJPUGU-NTMALXAHSA-N	312.753	1.754	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CCOC1CCOCC1	780738076	RULHNMFNJBFBTQ-UHFFFAOYSA-N	322.361	1.502	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc2ccc(O)cc2c1O	897860196	GQMLNQOIOPCDOW-UHFFFAOYSA-N	300.314	1.812	50	20	DDGD	
O=C(NN=C1CCc2cc(O)ccc21)C(=O)Nc1ccccn1	780229126	DUEUCVZZXSTJJN-UHFFFAOYSA-N	310.313	1.192	50	20	DDGD	
C[C@H](Cc1ccccc1)NC(=S)NNC(=O)N1CCOCC1	786073298	MJAAVOQELBSUOV-GFCCVEGCSA-N	322.434	1.039	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ncc(Br)cn1	894256223	YZCGFNWXDVNLRW-UHFFFAOYSA-N	315.171	1.436	50	20	DDGD	
CC(C)(C)n1cc(C=NNC(=O)COc2ccccc2F)nn1	790143561	MFBKWJZDBWVLRM-UHFFFAOYSA-N	319.340	1.701	50	20	DDGD	
C[C@@H]1CC[C@@H](CNC(=O)NNC(=O)c2ccc(C#N)cc2)C1	792875413	ZACYIZKXRCPYPV-DGCLKSJQSA-N	300.362	1.938	50	20	DDGD	
Cc1ccc(C(=O)NNc2nccn(C)c2=O)c(F)c1Cl	790857740	XSQUJLDBWPAQLB-UHFFFAOYSA-N	310.716	1.638	50	20	DDGD	
C=C(CBr)CN1CCC(N(C)CCCO)CC1	791459602	CLWUZFNPCKAZJR-UHFFFAOYSA-N	305.260	1.716	50	20	DDGD	
Cc1cc([C@H]2CCCN2S(=O)(=O)CBr)no1	782412985	HGEIWIRFDBUQJW-SECBINFHSA-N	309.185	1.802	50	20	DDGD	
CCCOCC(=O)NNC(=O)c1cncn1-c1ccccc1	1318030722	MQNDBVCVCUJJCO-UHFFFAOYSA-N	302.334	1.060	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)N[C@@H]1CCC[C@H](F)C1	1326299355	PCOJYXXFXBNBSJ-WDEREUQCSA-N	319.344	1.569	50	20	DDGD	
CC[C@@H](C)C(=O)NN=Cc1sc(N2CCOCC2)nc1C	1321692280	ZQTNDMDICUMQAD-SNVBAGLBSA-N	310.423	1.784	50	20	DDGD	
O=C(NNC(=S)Nc1cccc(F)c1F)c1cnccn1	1320114920	IRAFYPFSJIQMSI-UHFFFAOYSA-N	309.301	1.386	50	20	DDGD	
Cn1nc2ccccc2c1C(=O)NNC(=O)CNc1ccccc1	1320543296	IKLXOGBEZWVVLS-UHFFFAOYSA-N	323.356	1.446	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H](C)CC(C)(C)OC)cc1	1252356611	UNEWKFNLRNYEJV-LLVKDONJSA-N	323.393	1.843	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(Br)cc1C#N	1332628824	BFJRLIVHLIPRQU-MRVPVSSYSA-N	312.167	1.278	50	20	DDGD	
CCOc1cc(C(=O)NNc2ccc(C(C)(C)C)nn2)on1	1330565390	UTRUJYHDGWDSND-UHFFFAOYSA-N	305.338	1.918	50	20	DDGD	
COC(=O)c1ccccc1C(=O)NNC(=S)N[C@H](C)C1CC1	1335977627	JMVGWCDMPDIEPR-SECBINFHSA-N	321.402	1.381	50	20	DDGD	
C[C@@]1(COC(=O)CCn2cnccc2=O)C[C@H]1Br	1345220621	RXVGTYNSEGEJAN-SKDRFNHKSA-N	315.167	1.350	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@H]1CCC[C@@H]1OC	1353690089	SYHOZMQLTOZMHV-JSGCOSHPSA-N	306.362	1.200	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccc(C(=O)O)c(F)c1	1600675347	VFYSNLFHCCVNHW-UHFFFAOYSA-N	321.268	1.022	50	20	DDGD	
CC1(O)CCC(=NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1	1603820851	XICQBGFWDDACNF-UHFFFAOYSA-N	314.349	1.278	50	20	DDGD	
O=C(COc1ccccc1-c1nn[nH]n1)NN=C1CCC[C@@H]1F	1606577283	LDWGCMDAKOAFHS-JTQLQIEISA-N	318.312	1.240	50	20	DDGD	
O=C(O)[C@@H]1C[C@@H](O)CN1Cc1ccc(OCCCCl)cc1	1602192661	BISZRCHSUGDHCM-OCCSQVGLSA-N	313.781	1.714	50	20	DDGD	
CN(NC(=O)C1(CC(=O)O)CCOCC1)C(=O)OC(C)(C)C	1604194732	DNWRFUBBCPIHDQ-UHFFFAOYSA-N	316.354	1.156	50	20	DDGD	
O=C(O)COc1ccc(C(=O)NNc2ccc(Cl)cn2)cc1	1606285206	PGFURMJNACHRMF-UHFFFAOYSA-N	321.720	1.955	50	20	DDGD	
Cc1cc([C@@H](NC(=O)NNC(=O)C(=O)O)C2CC2)ccc1F	1607614303	GEIPMSHWCUEEQF-NSHDSACASA-N	309.297	1.000	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CCn3cncc3C2)cc1C(=O)O	1600461905	BXKURXRKZWTZAY-LLVKDONJSA-N	314.345	1.595	50	20	DDGD	
O=C(O)c1cc2n(n1)CCCC2=NNC(=O)[C@@H]1CCCS1	1608866563	KKPVLOIDJXEFLA-NSHDSACASA-N	308.363	1.091	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@H]1CCCC[C@H]1C(=O)O	1601369835	VKNTVWSLAMALRH-NWDGAFQWSA-N	322.336	1.407	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)C2SCCS2)c1F	1610848706	RMHDJDHZBKUWBH-UHFFFAOYSA-N	302.352	1.773	50	20	DDGD	
COc1cc(NC(=O)NNc2cnccn2)ccc1C(=O)O	1610302662	ZANDYMDTLXTNFN-UHFFFAOYSA-N	303.278	1.332	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C=NNC(=O)c1cc[nH]n1	1552454868	RHCJJOSMOLLGNB-ZYHUDNBSSA-N	302.338	1.027	50	20	DDGD	
NCC1(CC(=O)NNC(=S)NCC2CCC2)CCCCC1	1574270656	KJCNDHAVJLQEPZ-UHFFFAOYSA-N	312.483	1.581	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C[C@H](N)C(C)(C)C)c1	1579169007	IKMCULBROOPFHF-ZDUSSCGKSA-N	323.393	1.228	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1csc(C2CCNCC2)n1	1575522154	IJTZKUQNMFBHQC-UHFFFAOYSA-N	310.423	1.417	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@H](Cc1ccccc1)C(=O)O	1589693388	KLHITONRIWVLQH-LBPRGKRZSA-N	321.377	1.306	50	20	DDGD	
Nc1cnnc(NNC(=O)C[C@H]2NCc3ccccc32)c1Cl	1580466627	RKKFCWJOLDQQBJ-LLVKDONJSA-N	318.768	1.390	50	20	DDGD	
CC(=NNC(=O)OCC(F)(F)F)c1cncc(C(=O)O)c1	1589012494	OUZJVWVVVLHWMR-UHFFFAOYSA-N	305.212	1.792	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2CC23CC3)o1	1589773736	KUCXOFXVKHHSBL-ZETCQYMHSA-N	303.326	1.221	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]2CC[C@@H]1N2)Nc1cc(F)cc(F)c1	1580735663	BTLCVSZFQGVVJW-USWWRNFRSA-N	310.304	1.258	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)C1=COCC1)C2	1845168051	IQYOLXBHXDVLHR-GFCCVEGCSA-N	312.797	1.511	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(F)cc1-c1nn[nH]n1	1590393444	FPDCHGUUWCYVLE-SSDOTTSWSA-N	321.316	1.205	50	20	DDGD	
C[C@H](CC(=O)NNc1ccc(C(=O)O)c(F)c1)n1cccn1	1592251775	HJAOHMFRSJPMCK-SECBINFHSA-N	306.297	1.815	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC(C(=O)O)CC1	1594600874	GTQIYDJPTAQOKB-LCYFTJDESA-N	300.314	1.622	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1cccnc1C(=O)O	1594779649	AIYSRJPTGBXYPT-UHFFFAOYSA-N	300.274	1.246	50	20	DDGD	
CC[C@@H](OC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C)C(=O)O	1595332213	SUPWVQREMCLFIQ-HQIZRNBFSA-N	301.302	1.519	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](Cc1cccc(OC)c1)C(=O)O	1596864281	UTBFBBXJLNSBBE-IEZBTEQYSA-N	318.329	1.251	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(C(=O)O)c2ccccc12	1598884183	MWMSOBOTHFGRBY-UHFFFAOYSA-N	303.274	1.931	50	20	DDGD	
COc1ccccc1C(=O)NN=Cc1snc(C)c1C(=O)O	1776042921	KTPSHQDDEOIEEC-UHFFFAOYSA-N	319.342	1.922	50	20	DDGD	
CC(C)COc1ccc(C(=O)NNC(=O)c2cnn(C)c2)cc1	17273078	LWZXHHFWNBYYKB-UHFFFAOYSA-N	316.361	1.530	50	20	DDGD	
N[C@H]1CC[C@@H](C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)C1	158052690	ZCEVRAMRFZJFQW-KOLCDFICSA-N	321.768	1.961	50	20	DDGD	
C=CCOc1ccc(C(=O)NNC(=O)c2cc(C)n[nH]2)cc1	152972936	GVOKOXULKLAKJM-UHFFFAOYSA-N	300.318	1.358	50	20	DDGD	
CCNC(=O)NC1(C(=O)NNc2ccc(C#N)cc2)CCCC1	155720531	IUYUUGUXWVDXFQ-UHFFFAOYSA-N	315.377	1.633	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C[C@@H](C)c2c(C)n[nH]c2C)[nH]n1	157905691	LIBAQITZWDLJEX-SSDOTTSWSA-N	304.354	1.013	50	20	DDGD	
CCc1nn(C)c(Cl)c1C(=O)NNc1nccnc1Cl	156928438	DWZCJNSYVNHTLB-UHFFFAOYSA-N	315.164	1.836	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Cc1ccccc1C	55352799	NNKGVZZJHJWAIP-UHFFFAOYSA-N	312.369	1.936	50	20	DDGD	
O=C(CC1CCCC1)NNC(=S)NCCc1ccccn1	101805636	ZVPNAPDAGQBXAP-UHFFFAOYSA-N	306.435	1.700	50	20	DDGD	
CCCCC[C@@H](C)CC(=O)NNC(=O)CNC(=O)c1ccco1	172977076	SEDGELBRUVCZRY-GFCCVEGCSA-N	323.393	1.763	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CCC(F)(F)F)cc1	175140956	LQQJJVXOBWJDTJ-UHFFFAOYSA-N	303.284	1.897	50	20	DDGD	
O=C(NC[C@H]1C[C@@H]2CC[C@@H]1C2)NNC(=O)c1ccccc1O	171232390	BNYONLFMOGCQEU-IJLUTSLNSA-N	303.362	1.772	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Br)c1ccc[nH]1	61191231	OXMPALQDKWXANF-UHFFFAOYSA-N	308.135	1.852	50	20	DDGD	
CCCOc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)CC)cc1	55617264	GNNNWNZECNOOJA-NSHDSACASA-N	314.407	1.831	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1[nH]nc2c1CCCC2	104831433	BSJFXGHAKWXVPM-UHFFFAOYSA-N	313.361	1.162	50	20	DDGD	
CCCCCCC(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1	111545388	ZQDYTZZSDFYEMJ-ZIAGYGMSSA-N	313.442	1.604	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2nnn(C(C)(C)C)n2)cc1	1261650823	VSGFXDDNGIULEA-UHFFFAOYSA-N	302.338	1.201	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc(OC[C@H]2CCCO2)cc1	63270526	IOQHXYAVLUGJOM-CQSZACIVSA-N	321.377	1.597	50	20	DDGD	
COCCN(C)CCNC(=O)NNc1ccc(Cl)c(F)c1	175444402	OHASRNJIAKWPKF-UHFFFAOYSA-N	318.780	1.683	50	20	DDGD	
Cc1cc(NNC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)nc(C)n1	128869978	BVYANKMIKLHIFZ-FUNVUKJBSA-N	302.378	1.932	50	20	DDGD	
Nc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)NC1CCCCC1	180882583	XMPUWNXCYFQWEE-UHFFFAOYSA-N	321.337	1.454	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2ccc(C)c(F)c2)n1	31731166	MLROBIYQFIFFKO-UHFFFAOYSA-N	305.313	1.759	50	20	DDGD	
CCOCCC1(CNC(=O)NNc2nc3ccccn3n2)CC1	189646569	IRCBZDDLOURCRZ-UHFFFAOYSA-N	318.381	1.562	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)NCc1ccccn1	73117552	CVDOFOFICWNEPA-UHFFFAOYSA-N	318.308	1.130	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)CC[C@H](C)c1ccccc1	129688515	APBMDOIDVFUKSO-LBPRGKRZSA-N	305.378	1.242	50	20	DDGD	
CC[C@@H]1C[C@@H](C(=O)NNc2nc3ccccc3c(=O)[nH]2)CCO1	184182012	HCEAYDJGJLTVRH-WDEREUQCSA-N	316.361	1.571	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)Cc1ccncc1)c1nccs1	184288547	CFNQPGNCPQOHCW-SNVBAGLBSA-N	319.390	1.215	50	20	DDGD	
CCc1ncsc1NC(=O)C(=O)NNC(=O)CC1CCCC1	125914193	HWFQMVVRIZLCSE-UHFFFAOYSA-N	324.406	1.372	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1cccc(N2CCOCC2)c1	127558790	CRFZMNYCEYHYJE-SEYXRHQNSA-N	301.346	1.906	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cn(C(C)(C)C)nc2C)[nH]n1	184413736	AWXIBEKEXQNXEN-UHFFFAOYSA-N	304.354	1.053	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNc1ccc(C(F)(F)F)nn1	124298998	BWFQIQAZKMLIBZ-UHFFFAOYSA-N	319.287	1.101	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)NCC(F)(F)F)n1	122031957	CHJUORDLGIKQTE-UHFFFAOYSA-N	306.292	1.511	50	20	DDGD	
CC1CCN([C@@H](C)CNC(=O)NNC(=O)c2ccc[nH]2)CC1	129034771	ORRFQUWZAOOKJV-LBPRGKRZSA-N	307.398	1.079	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1	75570793	GQVDTOJNESJJEW-MCIONIFRSA-N	318.377	1.473	50	20	DDGD	
CC(C)Oc1ccc(CNC(=O)NNC(=O)c2ccc[nH]2)cc1	123378451	XXUIEGFWCWQHTR-UHFFFAOYSA-N	316.361	1.946	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Nc2c(F)cc(F)cc2F)cn1	186252439	ADOONMKZXWLEOA-UHFFFAOYSA-N	313.239	1.304	50	20	DDGD	
Cc1cnc([C@@H](C)CNC(=O)NNC(=O)c2ccc[nH]2)s1	183204486	PBCDZXVNVNVCEK-QMMMGPOBSA-N	307.379	1.527	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1ccn(Cc2ccccc2)n1	184435355	NZIFJJSGHHRKSW-UHFFFAOYSA-N	324.344	1.726	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCc1cncc(C)c1	134222154	HDMUHEZNFYAELZ-UHFFFAOYSA-N	314.345	1.543	50	20	DDGD	
O=C(Cc1cncs1)NNC(=O)c1c[nH]c2ccccc12	187338195	LGERQRWJVUQQPD-UHFFFAOYSA-N	300.343	1.628	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1cccc([N+](=O)[O-])c1	194627708	BKIFZVDDSKKXBE-UHFFFAOYSA-N	315.351	1.341	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)c1cc(C2CC2)[nH]n1	44858244	ZHCOLHMDRCBOJA-UHFFFAOYSA-N	324.344	1.318	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)NC[C@@H]2C[C@H]2C)cc1OC	47099073	NOEGPMDFEOFENF-PWSUYJOCSA-N	321.377	1.694	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)CSCC#N)c1C	46024779	JMAKTZWSCPJDGF-GFCCVEGCSA-N	321.402	1.475	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@@]1(O)CCSC1	82968281	KCFWYCOUUDQCJM-ZDUSSCGKSA-N	317.842	1.337	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2cccc(C#N)c2)o1	84461414	VMIAFZWXJIDVOV-UHFFFAOYSA-N	305.315	1.083	50	20	DDGD	
O=C(NNC(=O)C1(c2ccc(Cl)cc2)CC1)N1CCOCC1	194898815	IRFSQRNOCMUETM-UHFFFAOYSA-N	323.780	1.445	50	20	DDGD	
CCc1ccc(CC(=O)NNC(=S)NCCSC)cc1	94121597	LFDZEBUAARTUAK-UHFFFAOYSA-N	311.476	1.650	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C\c2cnn(CCCl)c2)n1	255365468	RRROJKCELBUFLR-WDZFZDKYSA-N	304.741	1.401	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1	267945792	JEWOYYXTGJRQPY-CHWSQXEVSA-N	316.405	1.564	50	20	DDGD	
CC(C)n1ncc2cc(C(=O)NNC(=O)C3CCC3)cnc21	264698331	JBRPAPFJCWGYPM-UHFFFAOYSA-N	301.350	1.573	50	20	DDGD	
O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)NNC(=O)C1CC1	267047708	JAXGOJSXUWZMGI-LLVKDONJSA-N	317.172	1.974	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)Nc1ccc(F)c(Cl)c1	274109319	QMKYONCFSDYLSX-UHFFFAOYSA-N	313.716	1.365	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C)C1CC1	279464398	CWKLGIYWKUVKDF-DOMZBBRYSA-N	320.389	1.643	50	20	DDGD	
CC[C@H]1C[C@@H](C(=O)NNC(=O)COc2ccccc2O)CCO1	272553206	PRPCXXOBQMKUBN-RYUDHWBXSA-N	322.361	1.124	50	20	DDGD	
CC[C@@H](C)n1ncc(C(=O)NNC(=O)NC2CC2)c1C1CC1	270472106	HJQVZIRZHUUNEE-SECBINFHSA-N	305.382	1.838	50	20	DDGD	
CC(=O)NNC(=O)Nc1cccc(C(=O)N2CCSCC2)c1	274167728	HPKQFEGOZFUZHM-UHFFFAOYSA-N	322.390	1.048	50	20	DDGD	
CCOc1ccc(OCCCC(=O)NNC(=O)C(C)(C)O)cc1	278003867	RATJBOYTFIXYDI-UHFFFAOYSA-N	324.377	1.163	50	20	DDGD	
O=C(CN1CCC[C@@H]1[C@H]1CCCO1)NNC(=O)c1ccccc1	284680427	HKGSDWCHLGTPEQ-HUUCEWRRSA-N	317.389	1.091	50	20	DDGD	
CO[C@@]1(C)C[C@@H](NC(=O)NNC(=O)c2cccc(C)n2)C1(C)C	280766032	DVMKLTBSJLIIDP-WBMJQRKESA-N	320.393	1.538	50	20	DDGD	
C[C@@H](C(=O)NNc1cnccn1)C1CN(C(=O)OC(C)(C)C)C1	287336055	FBFGTLGVMGDVRT-SNVBAGLBSA-N	321.381	1.423	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H]1C(=O)NNc1ncnc2ccsc12	286871236	YZGSJIUWADLWOG-YUMQZZPRSA-N	306.347	1.334	50	20	DDGD	
COCc1cnc(NC(=O)NNC(=O)CC(C)(C)C)s1	287234037	ODMOBOTXJLGUCY-UHFFFAOYSA-N	300.384	1.878	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNC(=O)CNc1ccc(OC)cc1	287242517	WGSFOZHMGQRVQX-OAHLLOKOSA-N	304.350	1.194	50	20	DDGD	
COCCN(C)NC(=O)C(C)(C)c1ccc(OC)c(OC)c1	293546521	GPKLCJQEEVVAES-UHFFFAOYSA-N	310.394	1.591	50	20	DDGD	
Cn1cnc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)n1	290113264	XXQVGTRIIFUHBD-UHFFFAOYSA-N	317.393	1.183	50	20	DDGD	
Cc1cccc(OCCCC(=O)NNC(=O)[C@H]2CCCCO2)c1	295300376	FBMYUAVIEWOTEY-OAHLLOKOSA-N	320.389	1.871	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	807371726	OTEALUWFOXDSDX-ITGUQSILSA-N	314.426	1.995	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)CNc2ccc(C)cc2)no1	295488042	SLWALXCXJLXPGW-UHFFFAOYSA-N	316.361	1.809	50	20	DDGD	
COC(=O)Cc1occc1C(=O)NNc1nnc(C2CC2)s1	290805538	UVWUARSYCQFUCT-UHFFFAOYSA-N	322.346	1.481	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])n1	293101396	NXIWEVUBDKWVME-UHFFFAOYSA-N	324.728	1.925	50	20	DDGD	
CN1C(=O)CC[C@@H]1C(=O)NNC(=O)c1ccc2ccccc2c1	806509687	DMFBDBMUVFPTCD-CQSZACIVSA-N	311.341	1.222	50	20	DDGD	
CSCC[C@H](O)C(=O)NNC(=O)CCCc1ccccc1	294611356	OMTCWMBQFAPRSJ-ZDUSSCGKSA-N	310.419	1.271	50	20	DDGD	
Cc1c(C#N)cccc1NC(=O)C(=O)NNc1cccc(F)n1	807391703	GJUVOFMXRNAYBW-UHFFFAOYSA-N	313.292	1.483	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2cscc2C)cc1	801110404	YZJUPDKZFOJZAY-UHFFFAOYSA-N	317.370	1.765	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)NC2)c(Cl)c1	802050520	GLHNMLTXIZMEQO-SECBINFHSA-N	324.768	1.327	50	20	DDGD	
Cc1sc(=O)n(CC(=O)NN(C)C(=O)OC(C)(C)C)c1C	297791754	VNNQEQALWCXTEK-UHFFFAOYSA-N	315.395	1.425	50	20	DDGD	
COc1nnccc1NC(=O)NNc1ccc([N+](=O)[O-])cc1	808901758	LPANGNLQAXTWRC-UHFFFAOYSA-N	304.266	1.542	50	20	DDGD	
C[C@@H](CN(C)C)NC(=O)NNC(=O)Nc1ccc(Cl)cc1	298002342	OCLSHLHPWQVKGW-VIFPVBQESA-N	313.789	1.626	50	20	DDGD	
COc1ccccc1C(C)(C)C(=O)NNC(=O)c1cccn1C	299372301	IWHIPQPADDOXKC-UHFFFAOYSA-N	315.373	1.773	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)cc1Cl	802032016	AGZKNUVNBYSSAV-UHFFFAOYSA-N	315.720	1.495	50	20	DDGD	
CCC[C@@H](C(=O)NNC(=O)Cc1ccncc1)c1ccccn1	806996345	UHLQHEXZMVKKNG-CQSZACIVSA-N	312.373	1.750	50	20	DDGD	
O=C(NNc1nccc2sccc12)c1c[nH]nc1[N+](=O)[O-]	801622026	WZDSWSGXMIGKSB-UHFFFAOYSA-N	304.291	1.685	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1	807380069	AWSIXMCJWBRUQX-QLFBSQMISA-N	322.453	1.581	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)c1cn(C)c2ccccc12)OC	811851605	KTOGWTVEHAYDTM-NSHDSACASA-N	318.377	1.547	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CCO[C@H](C(F)(F)F)C1	814854654	QYCICKNQLHOJQD-JTQLQIEISA-N	323.315	1.505	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NN=Cc1c(C)nn(C)c1N	814789308	BVOZPRKHDUPQRJ-UHFFFAOYSA-N	321.768	1.737	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CN2CCC(C)CC2)ccc1C	816688700	CIVKNCBCMJDVIW-UHFFFAOYSA-N	319.405	1.957	50	20	DDGD	
CC(C)Cc1ccc(CC(=O)NNC(=O)c2ccnnc2)cc1	817692661	XAULWARDADWWIS-UHFFFAOYSA-N	312.373	1.679	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1O)c1cnn(C)c1C	814953244	NHMSVRVNABRCBF-UHFFFAOYSA-N	302.334	1.353	50	20	DDGD	
COc1ccc(C=NNC(=O)c2cnccn2)cc1OC(F)F	818285094	CDIRMYZKUOFCLG-UHFFFAOYSA-N	322.271	1.851	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1(F)F	817422046	QPVOJSIKGVIKJC-MFKMUULPSA-N	312.272	1.019	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1ccc(C(N)=O)c(Cl)n1	816629530	QCCUYTVONHEKPR-UHFFFAOYSA-N	310.568	1.710	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)/C=C/c1cccc(O)c1	819727953	NVLFUPSOOCUQBC-MDZDMXLPSA-N	322.361	1.342	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@@H]2COc3ccccc3C2)cn1	822239360	QNXFMAKSVNAXRL-PXWILEGGSA-N	322.368	1.695	50	20	DDGD	
C/C(=C\c1ccccc1)CN(C)CC(=O)NNC(=O)C(C)C	829213441	VVTJDBVXLPZDHX-GXDHUFHOSA-N	303.406	1.825	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C[C@@H]1CC[C@@H]2C[C@H]12	825529716	MSADZQDQMBFNRM-DYEKYZERSA-N	302.374	1.821	50	20	DDGD	
O=C(NCc1cccc(CO)c1)NNC(=O)c1ccccc1O	729621283	HNNVVCVHPFJODE-UHFFFAOYSA-N	315.329	1.029	50	20	DDGD	
O=C(NCc1ccc2c(c1)CCO2)NNc1ccc(Cl)nn1	725875598	UNVHDYOHRGUGHC-UHFFFAOYSA-N	319.752	1.891	50	20	DDGD	
COC(=O)c1cnc([C@H](C)NC(=O)NNc2ncccn2)s1	824782737	YBBCKMFWNIFRJF-ZETCQYMHSA-N	322.350	1.107	50	20	DDGD	
CC(=O)N[C@@H](CC(C)C)C(=O)NN(C)C(=O)OC(C)(C)C	497079865	JJHVGKMXJUYHQQ-NSHDSACASA-N	301.387	1.435	50	20	DDGD	
O=C(NNC(=O)c1cnn(C2CCC2)c1)OCC(F)(F)F	825519325	JXJGSVHZLORWNX-UHFFFAOYSA-N	306.244	1.541	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2cncnc2N)cc1	490782915	MHVVUBMVTGWASU-NTUHNPAUSA-N	323.356	1.681	50	20	DDGD	
CC(C)(C)NCCC(=O)NNc1ncc(Br)cn1	824336087	ZZQACGGKTXCYHX-UHFFFAOYSA-N	316.203	1.460	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)C2(CN(C)C)CC2)cc1C	823068390	SEUYXNAAVUPGMF-UHFFFAOYSA-N	319.405	1.957	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CCOc1ccc(Cl)c(F)c1	824403997	JBRDSCGUYSGORN-UHFFFAOYSA-N	317.748	1.987	50	20	DDGD	
COC(=O)[C@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)C(C)C	491053273	XZRDKODNGHCMLD-CEFACKQISA-N	302.330	1.613	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2COc3cc(F)ccc3C2)nn1	822513682	RPQOIVCYBBAECS-LBPRGKRZSA-N	317.324	1.554	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1ccc(F)c(-c2nn[nH]n2)c1	826160401	QIXGEYOUSQOPPT-UXBLZVDNSA-N	317.280	1.102	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)CN2CCCC2)cc1	822764464	HTAYTGAPLIXMPU-UHFFFAOYSA-N	305.382	1.001	50	20	DDGD	
Cc1ccccc1C1(C(=O)NN(C)C[C@@H](C)O)CCOCC1	821218297	XKZKUCCFTRZRIO-CQSZACIVSA-N	306.406	1.387	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@@H]2CCO[C@H]2C)c(O)c1OC	901259905	UGHLUDZIOCRCKX-GXSJLCMTSA-N	308.334	1.285	50	20	DDGD	
CCCN1CCC[C@H](C(=O)NNc2ccc(C(=O)OC)cn2)C1	907143944	KWVLPZGJTCYLKU-ZDUSSCGKSA-N	320.393	1.433	50	20	DDGD	
N#CCCN1CCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)CC1	827485554	VRVCEYNTGMQBKW-NTCAYCPXSA-N	312.348	1.791	50	20	DDGD	
CC(C)c1cc(CNC(=O)NNC(=O)CC(F)(F)F)on1	734071959	MZTWDDIRQWEKBG-UHFFFAOYSA-N	308.260	1.581	50	20	DDGD	
CN(CCN1CCCC1=O)C(=O)/C(C#N)=C/c1ccc(O)cc1	491100517	BENGBEWCHMOTJF-SDNWHVSQSA-N	313.357	1.380	50	20	DDGD	
COc1ccc(CCNC(=S)NNC(=O)C2CCC2)cc1	731944859	QWKSWIYUPMFXFG-UHFFFAOYSA-N	307.419	1.533	50	20	DDGD	
C[C@H](CNC(=O)[C@@]1(C)C[C@H]1Br)CN1CCOCC1	906763382	MAYFTMHSMQTAPP-WZRBSPASSA-N	319.243	1.244	50	20	DDGD	
CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)NN(C)C(=O)OC	496337393	DDLOYCXROPCPTH-AWEZNQCLSA-N	317.386	1.657	50	20	DDGD	
CC(C)c1n[nH]c(CNC(=O)[C@]2(C)C[C@@H]2Br)n1	908550417	DSVQQCPUDBOPAR-WRWORJQWSA-N	301.188	1.718	50	20	DDGD	
C[C@]1(C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]1Br	905086140	RJVHMCNUOPNTGZ-FZMZJTMJSA-N	324.222	1.904	50	20	DDGD	
CC[C@H](C)n1nc(C(=O)Nc2cccc(B(O)O)c2)cc1C	584914340	VFLUXXKQYGIONV-JTQLQIEISA-N	301.155	1.095	50	20	DDGD	
CC[C@@H]1C[C@H]1CNC(=O)NNC(=O)COc1ccc(F)cc1	838666131	VWORWZFYCYJJFS-MNOVXSKESA-N	309.341	1.581	50	20	DDGD	
C=C[C@H](CC)CC(=O)OCC(=O)NNC(=O)c1ccccc1	909534312	YDSXYGVZARSVTP-GFCCVEGCSA-N	304.346	1.593	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCc1ccncc1)c1ccccc1	731222880	XQRBQLFPVNIZLU-UHFFFAOYSA-N	312.373	1.890	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)c2ccccc2C)cn1	732236530	YMWOEYYQOAFBBT-UHFFFAOYSA-N	312.373	1.885	50	20	DDGD	
CC(C)c1ccc(NNC(=O)NCCCS(C)(=O)=O)cc1	838465132	HBOGIYOGWNEIBZ-UHFFFAOYSA-N	313.423	1.871	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CCc3nncn3C2)c(Cl)c1	836935216	PGCIORUDKPUVRM-JTQLQIEISA-N	305.769	1.946	50	20	DDGD	
O=S(=O)(CCl)NC[C@@H](O)c1cc(F)cc(Cl)c1	831308886	RFXZCRAWCVSLPV-SECBINFHSA-N	302.154	1.628	50	20	DDGD	
CN(C)CC(=O)NNC(=O)[C@@H]1CC(C)(C)Oc2ccccc21	839642345	ZRXSMPINIQKQJS-GFCCVEGCSA-N	305.378	1.040	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H]2CC[C@H](C)O2)c1	838745913	QZFARFWPPONBBM-GWCFXTLKSA-N	307.350	1.667	50	20	DDGD	
Cc1ccc(NC(=O)CNS(=O)(=O)CCl)c(Cl)c1	830292052	APTUALOUXTZETQ-UHFFFAOYSA-N	311.190	1.703	50	20	DDGD	
CO[C@H](C=NNC(=O)c1ccc(C)cc1O)C1CCOCC1	834940647	BNJFMZYXNMIEQQ-OAHLLOKOSA-N	306.362	1.858	50	20	DDGD	
O[C@@H](CNCc1ccc(OCCCCl)cc1)Cn1ccnn1	839179356	MGTTVZZAIUYHHX-AWEZNQCLSA-N	324.812	1.437	50	20	DDGD	
COC(=O)c1cccc2c1CCCN2S(=O)(=O)CCl	830138954	LOHCTQNAFGRKMN-UHFFFAOYSA-N	303.767	1.752	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNC(=O)c1c[nH]c2ccccc12	730272336	DQMSPQWHEXAVCE-HNNXBMFYSA-N	310.357	1.027	50	20	DDGD	
O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CC[C@H](B(O)O)C1	585068837	IKRWKQPUZJTFBZ-JTQLQIEISA-N	319.557	1.419	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)OCCNC(=O)C2CCCC2)cn1	837970395	CPSDZGNXDRVTJS-RIYZIHGNSA-N	316.361	1.177	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)c1cc[nH]c1	731597866	VEIVKWLNYMARBZ-UHFFFAOYSA-N	311.345	1.388	50	20	DDGD	
COc1cc(CC(C)=NNC(=O)c2sc(N)nc2C)ccn1	834938474	GXHBHOWDUKLPOV-UHFFFAOYSA-N	319.390	1.786	50	20	DDGD	
CNC(=O)NN=C(CNC(=O)c1ccc([N+](=O)[O-])cc1)C(C)C	734746955	ZMJNLDFMHFXAPA-UHFFFAOYSA-N	321.337	1.266	50	20	DDGD	
COCCOc1ccc(/C=C(/C#N)S(=O)(=O)N(C)C)cc1	588615894	HILJIADJMKQWFH-UVTDQMKNSA-N	310.375	1.468	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@]1(C)CCCCO1	837659623	ZLNWNFDYFYYZMX-MRXNPFEDSA-N	306.362	1.344	50	20	DDGD	
CC(=NNC(=O)c1ccccn1)c1ccc(-n2cnnn2)cc1	918708926	RABVNIJMTPEJPC-UHFFFAOYSA-N	307.317	1.211	50	20	DDGD	
O=C1Nc2ccc(Cl)cc2C1=NNC(=O)[C@@H]1CCCCO1	834989939	LNBMXELPGFFMJT-NSHDSACASA-N	307.737	1.682	50	20	DDGD	
O=C(NN=Cc1cc2cc(F)ccc2o1)C(=O)N1CCCC1	741762280	VAMUSRBTRHJLEI-UHFFFAOYSA-N	303.293	1.644	50	20	DDGD	
O=C(O)Nc1cccc(C(=O)NNC(=O)CCc2ccco2)c1	740033207	HBYXEDKQUBPPLR-UHFFFAOYSA-N	317.301	1.763	50	20	DDGD	
CCOC(=O)c1ccc(C=NNC(=O)CCN(CC)CC)o1	748244735	RAZKPZABOBYUFY-UHFFFAOYSA-N	309.366	1.638	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H](c1ccccc1)C1CC1	843663772	YGDNWLXHQNTNJQ-GLQYFDAESA-N	302.374	1.753	50	20	DDGD	
CC[C@H]1CN(CC(=O)NNC(=O)c2cccs2)[C@H](C)CO1	844390861	LAEVIXLGNWZWDZ-MNOVXSKESA-N	311.407	1.008	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21)c1nc2ccccc2s1	913818276	VVTSAXXVRPPUDW-CQFDHEJISA-N	315.354	1.282	50	20	DDGD	
COCC[C@@H](C)CNC(=O)NNc1ccc(CC(=O)OC)cc1	845257609	MCFRBLKUCPBEOW-GFCCVEGCSA-N	323.393	1.701	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(C(F)(F)F)nc1	843646262	VSWSTGIQYUXEJW-IONNQARKSA-N	317.267	1.286	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@@]1(Cl)C[C@H]2CC[C@H]1O2	912100269	BKBDVHSXQCURGQ-GIPNMCIBSA-N	317.842	1.211	50	20	DDGD	
COCCn1cc(C=NNC(=O)[C@@H](C)CN2CCCCC2)cn1	743429380	MLIUENCZELIZEU-AWEZNQCLSA-N	321.425	1.102	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)NC[C@H](C)N)c1	841990308	ZGFZTOYWSDVFID-ZETCQYMHSA-N	315.761	1.032	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccccc1OCC#N	919810720	ZTXMSSDTQKCSJN-UHFFFAOYSA-N	309.325	1.972	50	20	DDGD	
Cc1[nH]c2c(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)cccc2c1C	843971005	AHMHIIGGNZGTFB-AAEUAGOBSA-N	315.373	1.971	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1cccc([N+](=O)[O-])c1	748257622	IUROGLAYTHTEDM-LLVKDONJSA-N	309.322	1.487	50	20	DDGD	
CC(C)n1ccc(CC(=O)NNC(=O)Cc2ccccc2F)n1	742654748	ZQPJTGAYZSOWSG-UHFFFAOYSA-N	318.352	1.536	50	20	DDGD	
CC[C@H]1CCCC[C@H]1OCC(=O)NNC(=O)c1ncccn1	841350317	JNJGJLUUXZFGDA-NWDGAFQWSA-N	306.366	1.223	50	20	DDGD	
Cc1nc(C(=O)NNc2nccnc2Cl)c2ccccn12	741287870	ZZZHRIHDOTWOND-UHFFFAOYSA-N	302.725	1.843	50	20	DDGD	
Cc1ccc(C)c2c1NC(=O)C2=NNC(=O)Cc1ccncc1	747645838	KGVFISMNAULSJN-UHFFFAOYSA-N	308.341	1.714	50	20	DDGD	
CC(=NNC(=O)c1ccc[nH]1)c1ccc(NS(C)(=O)=O)cc1	747042538	RGQGQVCXAPVYCH-UHFFFAOYSA-N	320.374	1.540	50	20	DDGD	
CC(=O)CCc1ccc(O[C@H](C)C(=O)NN(C)C[C@H](C)O)cc1	910170374	ZUEYZJOSGTUGCQ-UONOGXRCSA-N	322.405	1.319	50	20	DDGD	
O=S(=O)(CBr)N1C[C@H](O)C[C@H]1c1ccccc1	841557514	LRSAUJMBRFPMNL-MNOVXSKESA-N	320.208	1.477	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@@H]2COc3ccccc3O2)CCN1C	741452861	IMWVSABWASMOEP-ABAIWWIYSA-N	303.362	1.413	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)[C@@H]1CC12CCOCC2	748838540	NIWNJRHMVBYADP-NSHDSACASA-N	322.336	1.169	50	20	DDGD	
C[C@@H](CCOc1ccccc1)C(=O)NNC(=O)c1ncccn1	841350782	SNSVWEACZIIGQW-LBPRGKRZSA-N	314.345	1.343	50	20	DDGD	
O=C(NC[C@H]1CCCNC1)NNc1ccc(OC(F)F)cc1	841923292	AVKPFSPREBUHNW-JTQLQIEISA-N	314.336	1.914	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCCCl)c1noc(C(F)(F)F)n1	916398659	DEDKKIRPBKSSNA-RXMQYKEDSA-N	321.708	1.698	50	20	DDGD	
CC(C)(C)OC(=O)CSCC(=O)NNC(=O)C(C)(C)C	741211625	DQJZELBKACYKIS-UHFFFAOYSA-N	304.412	1.255	50	20	DDGD	
Cc1ccsc1S(=O)(=O)NNC(=O)Cc1cccnc1	741656428	LSIAIOXOSWUAHL-UHFFFAOYSA-N	311.388	1.004	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)c1c(C)nc2ccccn12	749757744	QHQRCDHIRMTWIK-SECBINFHSA-N	305.407	1.550	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)O)[nH]1)c1cccc([N+](=O)[O-])c1	749807173	LPPYNBITUIBENR-UHFFFAOYSA-N	302.246	1.385	50	20	DDGD	
CC(C[C@@H]1CCCC(=O)N1)=NNC(=O)Cc1ccccc1F	841623813	QVYAOTAZNHGWCS-ZDUSSCGKSA-N	305.353	1.919	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCCOCc1ccccc1	747589923	WXILQIQNLQCGCY-UHFFFAOYSA-N	319.283	1.486	50	20	DDGD	
O=C(/C=C/CCc1ccccc1)NNC(=O)C1CCOCC1	923049642	OHIDNMPNBUJHIE-WEVVVXLNSA-N	302.374	1.749	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@](C)(O)[C@@H](C)c1ccccc1	843977762	HUBFPSZAVUTKAG-GWIFVGGISA-N	320.389	1.114	50	20	DDGD	
Cc1cccc(CSCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	843648753	RIUSLEPXVZPLHG-TZMCWYRMSA-N	322.430	1.801	50	20	DDGD	
CN(C)[C@H](C(=O)NNC(=O)NC1CC1)c1ccc(Cl)cc1	847391754	HBONKOZBFGBSOS-LBPRGKRZSA-N	310.785	1.436	50	20	DDGD	
CC1(N)CCN(C(=O)NC[C@]2(C)C[C@@H]2Br)CC1	857105807	SBWVWGIQBAZCMZ-ONGXEEELSA-N	304.232	1.683	50	20	DDGD	
C[C@@H]1COC[C@@H]1NC(=O)NNC(=O)CCCc1ccccc1	926005720	XCSWEKYJBDBZOR-OCCSQVGLSA-N	305.378	1.375	50	20	DDGD	
Cc1ccc(NNC(=O)C2CCN(C(=O)N(C)C)CC2)cc1F	856231161	QXARJJKXCIVIFT-UHFFFAOYSA-N	322.384	1.971	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)c2cc3c(s2)CCC3)no1	920235041	DEBSIBPRCOFMGA-UHFFFAOYSA-N	320.374	1.677	50	20	DDGD	
CC(=NNC(=O)c1cc[nH]n1)[C@H]1CCCN1C(=O)OC(C)(C)C	853391267	FZMRNAVQVYITCZ-GFCCVEGCSA-N	321.381	1.915	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)c1cc[nH]n1)O[C@H](C)C2	853392261	IBLJSWUCVUHHEV-SECBINFHSA-N	300.318	1.506	50	20	DDGD	
CC1CC(C#N)(C(=O)NNC(=O)NCCc2cccs2)C1	758186297	DOBWDHUYXZTYKQ-UHFFFAOYSA-N	306.391	1.561	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2CCC(O)CC2)c1C	855625513	UJWJCEUGWIYAIH-UHFFFAOYSA-N	306.362	1.776	50	20	DDGD	
CCOc1cc(C(=O)NN(C)C(=S)NC)cc(Cl)c1O	854929863	VXTLNIQJQQLHFW-UHFFFAOYSA-N	317.798	1.525	50	20	DDGD	
C[C@@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)c1ccccc1	752371045	IGOBOTUFHHUDLY-SECBINFHSA-N	312.333	1.316	50	20	DDGD	
CCOC(=O)NCCC(=O)NC[C@]1(C)C[C@H]1Br	857397882	JKRPHAOOQAXDEW-KCJUWKMLSA-N	307.188	1.412	50	20	DDGD	
C#CCOc1ccc(NC(=O)NNC(=O)Cc2cccnc2)cc1	756480653	YJFCLVUUJXXOMM-UHFFFAOYSA-N	324.340	1.489	50	20	DDGD	
O=C(NNc1ccncn1)c1cccc(Oc2cnccn2)c1	857520878	RLIKCRIYFFSSPD-UHFFFAOYSA-N	308.301	1.816	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc3c(s2)CCNC3)n1	852814312	LRGGKTUUSOWKNA-UHFFFAOYSA-N	319.390	1.258	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1coc(-c2ccccc2)n1	755761293	KDYCOFRGRHATRM-GFCCVEGCSA-N	317.345	1.843	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)/C=C(\C)c1ccco1	854285667	PKNFQBBRQYPHEO-ZHACJKMWSA-N	311.407	1.557	50	20	DDGD	
CC(C)c1noc(-c2ccc(NC(=O)NNC(=O)CO)cc2)n1	756310787	JDFUUKDIQQUXQX-UHFFFAOYSA-N	319.321	1.005	50	20	DDGD	
CN(Cc1cnc[nH]1)C(=O)NC[C@]1(C)C[C@@H]1Br	856892805	JOLSPQHDPPWQKZ-ONGXEEELSA-N	301.188	1.725	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)[C@H]1CC12CCOCC2	855622829	MRUATUGNVLPDAN-SNVBAGLBSA-N	309.297	1.994	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)NCC1=CCCC1	852589116	OHELKYKXIRQXCA-UHFFFAOYSA-N	324.425	1.370	50	20	DDGD	
CO[C@@H](C(=O)NNc1ccnc(N(C)C)n1)c1ccc(F)cc1	863883170	WZPAIJVUBWGGJZ-CYBMUJFWSA-N	319.340	1.513	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@@](C)(O)CC)o1	930650873	SEKTYZDNLMDHJU-HNNXBMFYSA-N	311.382	1.043	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@@H]1CCc2n[nH]cc2C1	863097994	XLDHCWZMGIOYTH-ZCFIWIBFSA-N	312.242	1.333	50	20	DDGD	
CC1(c2ncc(C(=O)NCC(Cl)Cl)s2)OCCO1	861696256	DEQNALUMASYAMD-UHFFFAOYSA-N	311.190	1.896	50	20	DDGD	
C[C@H]1CCN(S(=O)(=O)CC(C)(C)CCl)C[C@H]1C(=O)O	864497998	YJHCCBAKWBERBK-VHSXEESVSA-N	311.831	1.624	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccc(-n2cnnc2)cc1	768504992	NDWHYEUNIZUEDL-UHFFFAOYSA-N	319.328	1.901	50	20	DDGD	
COC(=O)[C@H]1CCCN1C(=O)[C@H](Br)C(C)(C)C	767029848	MLRZAGYXPKIJQG-BDAKNGLRSA-N	306.200	1.960	50	20	DDGD	
Cc1ccc([C@H](C)[C@H](O)C(=O)NNC(=O)C2CCCC2)cc1	764822495	QVRMMXOGXLPQME-WFASDCNBSA-N	304.390	1.797	50	20	DDGD	
COc1nccnc1NNC(=O)C(=O)Nc1ccc(F)c(C)c1	766260670	JHPAIAJXLUXJDD-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1cccc(-c2cc[nH]n2)c1	767921493	YRQSBDISFMVUMI-UHFFFAOYSA-N	323.316	1.333	50	20	DDGD	
Cc1nc([C@@H]2CCOC2)sc1C(=O)NN=c1cc[nH]cc1	867284772	QFIARUNBFTZIIK-SNVBAGLBSA-N	304.375	1.529	50	20	DDGD	
CCOC(=O)c1ncc(/C=C(\C#N)C(=O)OCCOC)s1	865214621	URFBJSMSKLSGJC-RMKNXTFCSA-N	310.331	1.416	50	20	DDGD	
CCN1CCOC[C@@H]1C(=O)NNc1ccc(F)c(Cl)c1	863081701	URWAHLYWFXGGKX-GFCCVEGCSA-N	301.749	1.643	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN[C@@H](Cc2ccccc2)c2ccccc2)N1	863378385	BYUPWONTAJFWHG-IRXDYDNUSA-N	323.396	1.870	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@H]1C[C@]12CCOC2	763724022	VEDFYBGOCINIBW-DYVFJYSZSA-N	313.357	1.284	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cccc(OCCF)c1	764676794	DDKIZMXJSIILJD-UHFFFAOYSA-N	321.312	1.982	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)CC(C)(C)CCl	867333751	GOZKBXZAMZEUPI-ZJUUUORDSA-N	311.831	1.513	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)Cn2nccc2C)c(C)c1	873759930	IAWGYPQXAZAFNQ-UHFFFAOYSA-N	317.418	1.826	50	20	DDGD	
C[C@@H]1C(=NNC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)CCN1C	872387148	FINQKKKQURGMAO-LALPHHSUSA-N	319.409	1.084	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc(Cl)nc2C)nn1	1116845848	WSGNEZSLDZVRGD-UHFFFAOYSA-N	320.740	1.224	50	20	DDGD	
COc1cc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)ccn1	1115842907	VDKWSHCLMFTYNP-UHFFFAOYSA-N	324.340	1.575	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C	875171304	QLGYRRGKVKWTCT-ZDUSSCGKSA-N	308.382	1.510	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H](C)Cc2cccc(O)c2)cc[nH]1	875138511	JXXCHXUXUDQOGA-LBPRGKRZSA-N	300.362	1.775	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1	875210268	UIIXEUOLXSNNMF-QWHCGFSZSA-N	307.350	1.819	50	20	DDGD	
C[C@@H]1Oc2ccccc2N(CC(=O)NCCCSC#N)C1=O	773594255	RGRUIDVKHBFMGL-NSHDSACASA-N	319.386	1.521	50	20	DDGD	
O=C(NNc1ccccn1)c1cc([N+](=O)[O-])cc2c1OCCO2	777469381	KHFLLVVJNNLQHQ-UHFFFAOYSA-N	316.273	1.518	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccccc1Cl)[C@H]1CCOC1	1116911392	QPSYJPMLANAIPV-UWVGGRQHSA-N	311.769	1.709	50	20	DDGD	
C#C[C@H](NC(=O)NNc1ncnc2ccsc12)[C@@H]1CCCO1	773557266	IGPJREQPNQZLRQ-ONGXEEELSA-N	317.374	1.498	50	20	DDGD	
CCCCOc1ccc(NC(=O)NNC(=O)COCC)cn1	776065220	IXGYZTAAJSOYST-UHFFFAOYSA-N	310.354	1.450	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CSc1ccccc1O	770903661	SJPDYZAPQWOLBQ-NXEZZACHSA-N	310.375	1.057	50	20	DDGD	
CCc1noc(C2CCC(=NNC(=O)C(=O)NC3CC3)CC2)n1	778540797	UDTKVUUGXLQIOE-UHFFFAOYSA-N	319.365	1.040	50	20	DDGD	
COc1ccc(OCC(=O)NN=C(C)CCn2cccn2)cc1	776759033	GGBIXXIGJZVZKT-UHFFFAOYSA-N	316.361	1.853	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)C(C)(C)S(C)(=O)=O	885125289	NXKIWQWYZPTDBI-UHFFFAOYSA-N	304.799	1.915	50	20	DDGD	
COc1ccc(O)c(S(=O)(=O)NNC(=O)CC(C)(C)C)c1	775672361	RDSHOUILNORFFX-UHFFFAOYSA-N	316.379	1.147	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(Cl)ccc1F	771912265	GKLILYPBNYCZJL-ZETCQYMHSA-N	316.716	1.582	50	20	DDGD	
N#CCc1ccccc1CC(=O)NNC(=O)CNc1ccccc1	777520752	HLWZWKWIAVRQRB-UHFFFAOYSA-N	322.368	1.555	50	20	DDGD	
O=S(=O)(CCCCl)NCCN1CCc2ccccc2C1	881779041	JQGKXQOUOLAGFB-UHFFFAOYSA-N	316.854	1.593	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1ccc(Br)cc1	887139539	SZHUSWOQKCCFMU-UHFFFAOYSA-N	323.190	1.943	50	20	DDGD	
CC(C)CNC(=O)C1CCN(S(=O)(=O)CCCCl)CC1	881774319	LZBKQHNVNHBKMX-UHFFFAOYSA-N	324.874	1.429	50	20	DDGD	
COCC(=O)NNC(=O)N[C@H](CCc1ccccc1)C(F)F	881017760	KPSTWGXDNNJNMH-LLVKDONJSA-N	315.320	1.230	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NNC(=O)c1cccnn1	882056708	CUYILXGHLBLEQJ-DGCLKSJQSA-N	306.366	1.223	50	20	DDGD	
CCC(=O)N(C)c1ccc(NC(=O)NNC(=O)C(C)C)cc1	881047815	XOJQLODWWRLGKA-UHFFFAOYSA-N	306.366	1.868	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CC(N2CCCC2=O)C1	888762487	VCDQABBJRSYXRK-JYRVWZFOSA-N	313.332	1.566	50	20	DDGD	
CC(C)[C@@H](NS(=O)(=O)CCCCl)C(=O)OC(C)(C)C	881993726	ZJEYKVCEGJQYBW-SNVBAGLBSA-N	313.847	1.901	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cc(F)ccc1N(C)C	880939311	QMNDYVKMKOUCSF-KOLCDFICSA-N	324.356	1.469	50	20	DDGD	
Cc1cnc(Cl)c(NC(=O)NNC(=O)Cc2cc[nH]n2)c1	787459973	SZLAGFVFBJVYEP-UHFFFAOYSA-N	308.729	1.162	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C(C)C)c(OC(F)F)c1	788700313	LCXQFKGHPLIBEA-UHFFFAOYSA-N	302.277	1.714	50	20	DDGD	
C[C@@H]1C[C@@H](C)CN(CCCNS(=O)(=O)CCCCl)C1	881791916	QMTKBWSWVDJYIT-CHWSQXEVSA-N	310.891	1.903	50	20	DDGD	
CC(=NNC(=O)c1nn(-c2ccccc2)cc1O)[C@H]1CCCO1	783811941	ZXSOVFXDZIMSGE-CQSZACIVSA-N	314.345	1.863	50	20	DDGD	
COc1ccccc1CNC(=O)COC(=O)/C(C#N)=C/C1CC1	786682089	ZMEZMSAMQLKWOO-RIYZIHGNSA-N	314.341	1.715	50	20	DDGD	
CCOc1cccc(NC(=O)C(=O)NNc2ncc(F)cn2)c1	784958507	ZWMOMGZDDPUYLB-UHFFFAOYSA-N	319.296	1.096	50	20	DDGD	
COCCN(C)NC(=O)c1ccn(-c2cc(F)cc(F)c2)n1	897721132	ALZIVIHEXKNQJX-UHFFFAOYSA-N	310.304	1.374	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNc2ccnc(F)c2)c1F	784849245	SXLMKEZYSIXXID-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
Cc1nc2c(C(=O)NNC(=S)NC(C)(C)C)ccnc2[nH]1	899997185	KHYHSYBVMFJHAF-UHFFFAOYSA-N	306.395	1.174	50	20	DDGD	
Cc1cc(NNC(=O)c2cccn(CC(C)C)c2=O)nc(C)n1	895153156	AGOXDTVDEDBYEJ-UHFFFAOYSA-N	315.377	1.668	50	20	DDGD	
COc1ccc(NNC(=O)Cc2ccc3c(c2)OCO3)nc1	781516349	RIFIAEPEMCXLQP-UHFFFAOYSA-N	301.302	1.505	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNc1ccccc1C(=O)OC	780730059	AOFKDMZLHWKDPT-CQSZACIVSA-N	305.378	1.791	50	20	DDGD	
COC(=O)c1cc(C)cc(C(=O)NNC(=S)NC(C)(C)C)c1	899998375	LRWRBJKSLZTPRN-UHFFFAOYSA-N	323.418	1.689	50	20	DDGD	
CCOC(=O)N(C)CCCC(=O)NNC(=O)OC(C)(C)C	895510858	VNIYLLYTVDXHDT-UHFFFAOYSA-N	303.359	1.411	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2n[nH]cc2C)cc1	799407103	LQFRSKNXUQFWQZ-UHFFFAOYSA-N	304.375	1.580	50	20	DDGD	
O=C(CCc1cncnc1)NNC(=O)c1ccc(Cl)cc1F	794366466	PFWUUFYJEHFGNK-UHFFFAOYSA-N	322.727	1.663	50	20	DDGD	
O=C(Cc1ccc2c[nH]nc2c1)NNc1ncncc1Cl	793888875	CLVSUVHNSLOUOZ-UHFFFAOYSA-N	302.725	1.692	50	20	DDGD	
O=C(NN=C/C=C\c1ccc(F)c(F)c1)C(=O)N1CCCC1	794899522	NHBMVMYOEFEJJG-UUAAWDQKSA-N	307.300	1.702	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1cn2c(n1)CCCC2	799351382	NNCJUFYKGHVLDU-UHFFFAOYSA-N	312.373	1.532	50	20	DDGD	
COc1ncc(C)cc1NC(=O)NNC(=O)c1cccc(C)n1	797633161	UYBDPKQKAHQNIL-UHFFFAOYSA-N	315.333	1.569	50	20	DDGD	
CCCNC(=O)NNC(=O)CCOCC(F)(F)C(F)F	790512223	DLLXWDVHGXUPCY-UHFFFAOYSA-N	303.256	1.034	50	20	DDGD	
O=C(NNc1ncncc1F)N[C@@H](c1ccncc1)C1CC1	1342578799	SMRRUABJTJEBBH-GFCCVEGCSA-N	302.313	1.788	50	20	DDGD	
Cc1nc(CSCC(=O)NNC(=O)c2ccncc2)cs1	1317862130	BXYYMRBLTRUZIR-UHFFFAOYSA-N	322.415	1.541	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccnc(SC)c2)cc1	1317961521	VAJWRDDIMMIFLU-UHFFFAOYSA-N	317.370	1.887	50	20	DDGD	
CC(C)CCSCC(=O)NNc1nncc(N)c1Cl	1319327788	DIKXQLVXOWLEOY-UHFFFAOYSA-N	303.819	1.935	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)CC(F)(F)F)c(C2CC2)n1	1328417136	MZDRLOTTZSILQJ-UHFFFAOYSA-N	302.256	1.376	50	20	DDGD	
CSc1cc(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)ccn1	1328133230	AEUSXOLRVBHBHX-ONGXEEELSA-N	324.406	1.059	50	20	DDGD	
Nc1cnnc(NNC(=O)C(F)(F)C2(O)CCCC2)c1Cl	1321643674	UGADSZCZQHGRDK-UHFFFAOYSA-N	321.715	1.096	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NC/C=C/C2CC2)c1	1326768361	LELYMBFGOXJUBD-HWKANZROSA-N	303.362	1.670	50	20	DDGD	
O=C(NNc1ncccn1)C(=O)Nc1cccc(-c2ncco2)c1	1255139079	AUHURQPWWADMCM-UHFFFAOYSA-N	324.300	1.213	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H](C)Oc1cccc(OC)c1	1330726937	WYTBJWDQKWEKIT-JTQLQIEISA-N	311.338	1.375	50	20	DDGD	
Cc1cc(C)n2ncc(C(=O)NNC(=O)CC(F)(F)F)c2n1	1337637684	JEZPNDVOSOVOCE-UHFFFAOYSA-N	315.255	1.060	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N2CC[C@@H]3C[C@H]3C2)C[C@@H]1Br	1331373477	GSRUWSMLOHLAJH-KEPMVKOISA-N	315.211	1.145	50	20	DDGD	
CCCNC(=O)[C@@H](C)NC(=O)[C@H](Br)C(C)(C)C	1336706857	YNAGZANRZQUKNM-BDAKNGLRSA-N	307.232	1.827	50	20	DDGD	
CC(C)(C(=O)NC[C@@]1(C)C[C@H]1Br)n1ccc(N)n1	1334670450	UPOJJNVAVAQCKE-PRHODGIISA-N	315.215	1.490	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)OCCOC(=O)N(C)C)cc1	1338250426	HUMMVIPNXYMRSR-RAXLEYEMSA-N	318.329	1.844	50	20	DDGD	
Cc1cc(CNC(=O)NNc2ccc(C(C)(C)C)nn2)n(C)n1	1345227273	RKLBXJJBOMSKDV-UHFFFAOYSA-N	317.397	1.642	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)c1ccc(OC)cc1)OC	1343770265	RGWNDSVJDMIQTC-UHFFFAOYSA-N	323.393	1.844	50	20	DDGD	
CC(C)(C(=O)O)C(=O)NNC(=S)Nc1cccc(Cl)c1	1602836687	FJYMTPOXFCHYAY-UHFFFAOYSA-N	315.782	1.768	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2ccc(O)cc2F)cc1	1602129336	ZSMRMDPLIIPOAT-UHFFFAOYSA-N	304.277	1.915	50	20	DDGD	
Cc1coc(CC(=O)O)c1C(=O)NN=c1cc[nH]cc1Cl	1600641579	LMVQSXPJAGGSKI-UHFFFAOYSA-N	309.709	1.442	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)Nc1ccc(C(=O)O)nc1	1601561475	KAUCHBVGPMBMPW-UHFFFAOYSA-N	307.697	1.977	50	20	DDGD	
Cc1c(CCC(=O)NNc2cccc(C(=O)O)c2F)cnn1C	1600011349	JGCRGTVKUODWKB-UHFFFAOYSA-N	320.324	1.642	50	20	DDGD	
O=C(NN[C@@H](C(=O)O)c1ccccc1Cl)c1ccccn1	1608479695	UCOGRGOIPZHVEY-GFCCVEGCSA-N	305.721	1.795	50	20	DDGD	
COc1cc(C(=O)O)ccc1NC(=O)NNc1ncc(F)cn1	1607135350	YGIVYFVFNNVZKB-UHFFFAOYSA-N	321.268	1.471	50	20	DDGD	
Cc1cc(=NNC(=O)Nc2ccc(C(=O)O)cc2F)cc[nH]1	1600282963	HJJILAWGAOCYEN-UHFFFAOYSA-N	304.281	1.798	50	20	DDGD	
CCO[C@H]1CCCC1=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1604412579	VKVJHRFCLQTUGD-ZDUSSCGKSA-N	314.349	1.542	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccnn1C)c1cc[nH]n1	1549314709	JXULDNMFYICDIV-RISCZKNCSA-N	316.365	1.151	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1cc(F)cc(F)c1	1549314945	AGIVXLJRLVXQGU-HUUCEWRRSA-N	323.343	1.668	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@H](C)NC2CC2)cc1C	1578060879	FBPLHMPIGMNTBS-NSHDSACASA-N	305.378	1.755	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C23CC(C2)C3)o1	1589773491	DQRMHFAYGYPJHG-UHFFFAOYSA-N	303.326	1.221	50	20	DDGD	
CC(C)C[C@H](C)CC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1589550254	UBPKAKWYSMRAOO-JTQLQIEISA-N	303.370	1.777	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1nc(C)oc1C	1599377761	NHIKCIFZRHWRGV-UHFFFAOYSA-N	305.290	1.755	50	20	DDGD	
CCCC(=O)N1CCCC12CN(C(=O)CCBr)C2	1842656838	SQVFIPCMQUONAO-UHFFFAOYSA-N	317.227	1.775	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@](C)(CC(=O)O)c1ccncc1	1596862116	MZIJUDWKGGSKNX-NKSUMMKUSA-N	303.318	1.332	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)[C@H]1CCC(F)(F)C1	1593164784	OVGFMMMLVHPQOK-ZETCQYMHSA-N	309.280	1.140	50	20	DDGD	
Cn1ncc(C2CC2)c1C(=O)NNc1ncccc1C(=O)O	1594582317	LMVWWGOVJJVRTG-UHFFFAOYSA-N	301.306	1.148	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21	1599376574	VQQXHYZXRZCQOM-OASPWFOLSA-N	306.318	1.262	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)C#Cc1ccccc1	1599375688	AMSWAXAKHUAISA-UHFFFAOYSA-N	310.309	1.888	50	20	DDGD	
COc1cc(C(=O)O)ccc1C=NNC(=O)[C@@H]1CCCS1	1776081735	DXTIHZZVZMEGOI-LBPRGKRZSA-N	308.359	1.739	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cc(Cl)cn1C	12393830	GZSHOVDFBJJKET-UHFFFAOYSA-N	321.764	1.691	50	20	DDGD	
O=C(CNC(=O)C1CCCCC1)NNC(=O)c1ccccc1F	15794727	NWSGATUDNFBVOA-UHFFFAOYSA-N	321.352	1.283	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1ccc2c(c1)C(=O)NC2=O	160696942	XOUXUBOUENLBHS-UHFFFAOYSA-N	313.288	1.775	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1nc2ccccc2s1	164080114	DAUWQTOMORKECP-UHFFFAOYSA-N	308.363	1.277	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)COc2ccc(F)cc2)o1	175727730	KMDGCEGOKGNKCG-UHFFFAOYSA-N	306.293	1.876	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNC(=O)c1ccccc1	152980479	UTMKQIDQHALTBI-SNVBAGLBSA-N	300.362	1.981	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)NC(C)(C)C)cc1C	153754668	UEFVAKFCNSLRTK-UHFFFAOYSA-N	306.366	1.371	50	20	DDGD	
O=C(NCc1nnc2n1CCC2)NNc1c(F)cccc1Cl	274532639	RFUKSMUOONVYQV-UHFFFAOYSA-N	324.747	1.843	50	20	DDGD	
C[C@H](CBr)CN(C)[C@H](C)[C@@H](C)S(C)(=O)=O	248740578	ROENRFNBVCJRDM-OPRDCNLKSA-N	300.262	1.771	50	20	DDGD	
O=S(=O)(CBr)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2	374713053	UWXIDHZDJSTOFO-IWSPIJDZSA-N	310.213	1.216	50	20	DDGD	
O=C(Cn1ccccc1=O)NNC(=O)c1ccc(Cl)cc1F	7951367	YMOVPFZGSSGBJA-UHFFFAOYSA-N	323.711	1.102	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2cccc(F)c2)cn1	105512161	RVZDYPLGYCWKCP-UHFFFAOYSA-N	320.349	1.861	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCCOc1ccccc1	103505117	PLLXKOHRMZMYDQ-UHFFFAOYSA-N	314.345	1.034	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1cccc2c1OCCCO2	53103306	BNRFESRYWDZXAR-SDNWHVSQSA-N	316.357	1.908	50	20	DDGD	
O=C(CCNC(=O)OCC(F)(F)F)NNc1ccc(F)cc1	57200512	NJQMQGJKIJHTCB-UHFFFAOYSA-N	323.246	1.947	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1Cc1ccccc1)c1ccccn1	50024871	KBQXCMWMWZRWPS-MRXNPFEDSA-N	324.384	1.507	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccccc2O)c(O)c1	57156341	CTNQOQIDNRGYJV-UHFFFAOYSA-N	302.286	1.181	50	20	DDGD	
C=CC1CCN(CC(=O)NNC(=O)Cc2nc(C)cs2)CC1	111257713	NKTOLAKJUVLUJN-UHFFFAOYSA-N	322.434	1.039	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)C12CC3CC(CC(C3)C1)C2	103424925	NLGZIVAMCXGBHR-UHFFFAOYSA-N	313.401	1.988	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCc1ccc(C(C)(C)C)cc1	108928251	YOONQEWRVPNRPS-UHFFFAOYSA-N	321.421	1.894	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc(=O)c2ccccc2o1	102360761	PYXLULCAFWFVGU-UHFFFAOYSA-N	311.297	1.206	50	20	DDGD	
Cc1ccc(NNC(=O)NCCCn2nc(C)cc2C)nn1	106327966	GGZYCDRLTWHWBF-UHFFFAOYSA-N	303.370	1.315	50	20	DDGD	
COc1ncnc(OC)c1C(=O)NNc1cc(C)ccc1C	178986877	MBXGHUMZCBWMKG-UHFFFAOYSA-N	302.334	1.868	50	20	DDGD	
O=C1CN(NC(=O)CCCC[C@@H]2CCSS2)C(=O)N1	29020017	PGUXWMIKJHZAPC-MRVPVSSYSA-N	303.409	1.284	50	20	DDGD	
CC(C)OCCS(=O)(=O)NNC(=O)c1cccc(Cl)c1	177539490	ZYSATRUKXNBPPF-UHFFFAOYSA-N	320.798	1.329	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)[C@H]1COc2ccccc21	113164108	UKZMMGZUZLDEGR-LBPRGKRZSA-N	323.312	1.751	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@H](C)C2CCCCC2)n1	175417406	UKIXWBJIBXAXGP-CYBMUJFWSA-N	321.425	1.799	50	20	DDGD	
C[C@@H]1CCc2c(C(=O)NNC(=O)c3cnn(C)c3)csc2C1	117678951	ZACFVXVEMVDLFF-SECBINFHSA-N	318.402	1.681	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)C1CCCCCC1	173898690	QURKBEDDLSHRBJ-UHFFFAOYSA-N	314.389	1.995	50	20	DDGD	
CC(=O)CCCC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	178297458	APMOWFHITXPELN-NSHDSACASA-N	310.325	1.500	50	20	DDGD	
C[C@H]1CCCC[C@H]1OCC(=O)NNC(=O)CNc1ccccc1	113414403	QMFYYHLVMHITTG-DZGCQCFKSA-N	319.405	1.841	50	20	DDGD	
O=C(CN1CCCCCCC1=O)NNc1nccnc1Cl	172287403	XENXZLGSSWNXOD-UHFFFAOYSA-N	311.773	1.366	50	20	DDGD	
CCOC(=O)C1(NC(=O)/C(C#N)=C/c2cnn(C)c2)CCCC1	1347770049	CNVMIGSKRZSZGH-MDWZMJQESA-N	316.361	1.319	50	20	DDGD	
Cc1n[nH]c(=O)c(C(=O)NNc2ccc(Cl)c(F)c2)c1C	175423098	WGLAFFAPFCSJSC-UHFFFAOYSA-N	310.716	1.936	50	20	DDGD	
CC(C)CC(=O)NCCC(=O)NNC(=O)NC1CCCCC1	172817641	YHHOVZUYBWATOE-UHFFFAOYSA-N	312.414	1.202	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cc(Cl)ccc2O)n(C)n1	170701611	IGZTVVDODYNBHW-UHFFFAOYSA-N	323.740	1.554	50	20	DDGD	
COc1ccc(SCC(=O)NNc2ncc(F)cn2)cc1	122677039	PSUHUFVTXKWEOP-UHFFFAOYSA-N	308.338	1.860	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1ccc(OCC(N)=O)cc1	184374142	FQLSPSVWMPOJKS-UHFFFAOYSA-N	317.320	1.755	50	20	DDGD	
Cc1cc(F)ccc1NC(=O)C(=O)NNc1cncc(Cl)n1	128241403	OXCONJDTTHTXTI-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNC(=O)c2cccnc2)cc1	121854193	GKEDSLLKQWONSE-LBPRGKRZSA-N	313.357	1.730	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1cc(C(F)(F)F)ccc1F	123414431	NBKFGXALYVUBGT-UHFFFAOYSA-N	309.219	1.380	50	20	DDGD	
C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NNc1ncc(F)cn1	122999180	KNLPQDYHKZNBOU-SSDOTTSWSA-N	312.251	1.805	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)CC2CCOCC2)c1	181133922	BQIWXWAWKMNBGX-UHFFFAOYSA-N	312.391	1.350	50	20	DDGD	
O=C(NNC(=O)c1ncccc1O)c1cc(-c2ccccc2)on1	122634621	RVHFTZYATFTHOX-UHFFFAOYSA-N	324.296	1.517	50	20	DDGD	
O=C1C[C@@H](C(=O)NNC(=O)c2ccc3ccccc3c2)CCN1	126664560	CMYRAJISZDXCCK-AWEZNQCLSA-N	311.341	1.127	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)C1(Cc2ccccc2)CCC1	186135676	UXIQGXZHBXUEHS-UHFFFAOYSA-N	312.373	1.513	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc2nc(C3CC3)oc2c1	186424802	XFXNHASPQDVFBR-UHFFFAOYSA-N	318.333	1.894	50	20	DDGD	
C[C@H](CN1CCCCC1)NC(=O)NNC(=O)OC(C)(C)C	79293958	OBQODCPZLAZJLX-LLVKDONJSA-N	300.403	1.600	50	20	DDGD	
O=C(NNC(=O)c1cccc2ncccc12)c1ccc(F)nc1	73455548	YPEQBWNCXKDUCY-UHFFFAOYSA-N	310.288	1.844	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@@H]1Cc2ccccc2O1	132762530	CJDACCKMPNLRGX-INIZCTEOSA-N	310.353	1.770	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@H](C)CO[C@@H]1CCOC1	185527441	KRAMWFQNBOKXPH-VXGBXAGGSA-N	311.357	1.954	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCCc1ccccn1	42993005	QYHLMDGNHPDRMY-UHFFFAOYSA-N	316.336	1.336	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCC[C@@H]1CN1CCCC1	187074437	DCWSLRBTQVDCDF-CYBMUJFWSA-N	308.875	1.895	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cccnc1Br	133687631	HGECEVWSCOPLEB-UHFFFAOYSA-N	323.150	1.257	50	20	DDGD	
O=C(CN1CCc2c(Cl)cccc2C1)NNC(=O)C1CC1	133901009	LQFXWJKJUVCKQB-UHFFFAOYSA-N	307.781	1.256	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccccc1O)c1ccccn1	43181498	SFVBNSHHBRIRMB-JTQLQIEISA-N	300.318	1.492	50	20	DDGD	
CN1CCc2cc(/C=C(/C#N)C(=O)Nc3ccn(C)n3)ccc21	134491042	PDZNZMCADTVQLU-UVTDQMKNSA-N	307.357	1.958	50	20	DDGD	
CCOCCCC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	47062742	VBTFONQYQXTNMT-LLVKDONJSA-N	312.341	1.557	50	20	DDGD	
CCN1CCC[C@@H]1CNC(=S)NN(C)C(=O)OC(C)(C)C	138677285	FSPDNRPOAKXTGV-LLVKDONJSA-N	316.471	1.717	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2c[nH]c3ccccc3c2=O)o1	84373963	YFIFRPLWCCZMMQ-UHFFFAOYSA-N	311.297	1.504	50	20	DDGD	
CCOC(=O)NNC(=O)c1cnn(Cc2ccccc2)c1C	192624427	DYTPMSDZEPLJDD-UHFFFAOYSA-N	302.334	1.631	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNc1nccnc1OC	131792288	DVXBSVPQQIXYLE-UHFFFAOYSA-N	308.725	1.904	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](C)N(C)CC(F)(F)F)nc1	194062844	VTIHMLSIMBHLSI-QMMMGPOBSA-N	306.288	1.416	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCC(F)(F)F)cc1	46916884	GDPOESBTMVWXDN-UHFFFAOYSA-N	305.256	1.267	50	20	DDGD	
C[C@@H](C(=O)NNc1nc2ccccn2n1)N1CCCCCC1	191892422	GKMKIIDDRISPHJ-LBPRGKRZSA-N	302.382	1.437	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Cc1c(F)cccc1Cl	81024511	SOSVNNOLLIDZBF-UHFFFAOYSA-N	321.739	1.807	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)CCc2ccc(OC)cc2)[nH]n1	97676908	UHQYYXCQFVVVOZ-UHFFFAOYSA-N	316.361	1.375	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccccn2)cc([N+](=O)[O-])c1	149693825	JEDWCWPVOQZGPV-UHFFFAOYSA-N	300.274	1.373	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNC(=O)COc1ccc(C)cc1	92211294	YHUFCAFGSHHWNT-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
O=C(CCc1cnn(-c2ccccc2)c1)NNC(=O)c1ccc[nH]1	96967421	FOMWVZCYIPXYDC-UHFFFAOYSA-N	323.356	1.594	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccnc(-n2ccnc2)c1	142537587	NSJMJSSMZADTAX-UHFFFAOYSA-N	302.338	1.011	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cccc(O)c2O)cc1OC	254753387	ZWPUVOMYHUKOKH-UHFFFAOYSA-N	316.313	1.879	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)CN(C)C)cc1OC	263850226	NEUVCJOLBDOQNU-UHFFFAOYSA-N	323.393	1.197	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)c[nH]1	264744733	RVABGIWTWMMROQ-MRVPVSSYSA-N	318.402	1.979	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C1(C#N)CCCCC1	264549095	WSPBAPUWONTSCT-UHFFFAOYSA-N	301.346	1.930	50	20	DDGD	
O=C1CCCC[C@H]1[C@H]1CCCN1S(=O)(=O)CBr	364904866	JTSGJTKNZJNZMB-VHSXEESVSA-N	324.240	1.892	50	20	DDGD	
CN1C(=O)Cc2cc(NC(=O)NNC(=O)OC(C)(C)C)ccc21	278769449	OVBUKLSSHPZKFL-UHFFFAOYSA-N	320.349	1.767	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cc(NC(C)=O)ccc1OC	273335520	OUUNGUFEBGRSEI-VIFPVBQESA-N	322.365	1.852	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccnn1-c1ccccc1C	275992902	FOZLWKSBBKQFPD-UHFFFAOYSA-N	316.365	1.879	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCO[C@@H](C)C2)cc1	272138300	WSFNCQANWFPLLY-QWHCGFSZSA-N	306.362	1.336	50	20	DDGD	
C[C@]1(C(=O)NNc2nnc(-c3ccccn3)s2)CCCOC1	276540399	ZYIMCYGBOLXUMR-AWEZNQCLSA-N	319.390	1.860	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1cccc2cnccc12	274233895	WWZDNLWHXCFDOW-UHFFFAOYSA-N	314.345	1.367	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2(OC)CCCCC2)nc1	274770340	IDRNJOWOJKUFOZ-UHFFFAOYSA-N	307.350	1.661	50	20	DDGD	
COC(=O)COCC(=O)NNc1ccccc1Br	288218890	PGMBGMPSTHMBBM-UHFFFAOYSA-N	317.139	1.082	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1ccc([N+](=O)[O-])cc1C	288794017	SQCHTXTVZKHGIX-UHFFFAOYSA-N	310.310	1.483	50	20	DDGD	
COCCN(C)NC(=O)c1cc(OC)c(Br)s1	288149699	BZVUIZYNQHOKFJ-UHFFFAOYSA-N	323.212	1.742	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@H]2CCC2(C)C)c1	286354462	BPRJVURVLBKRKI-ZDUSSCGKSA-N	305.378	1.893	50	20	DDGD	
CSC1(CNC(=O)NNC(=O)COc2ccc(C)cc2)CC1	280144938	WUBILYBJNRVZOJ-UHFFFAOYSA-N	323.418	1.600	50	20	DDGD	
COCC(C)(C)CCCNC(=O)NNC(=O)c1cccc(C)n1	288560345	FLJKCIIHOBTUDQ-UHFFFAOYSA-N	322.409	1.787	50	20	DDGD	
CC[C@@H]1C[C@H]1NC(=O)NNC(=O)COc1cc(C)cc(C)c1	280860406	XLWDUAVPNKEPFE-TZMCWYRMSA-N	305.378	1.811	50	20	DDGD	
CC[C@](O)(C(=O)NNC(=O)C1CCC1)c1cccc(Cl)c1	282763492	OKRZFAZUWIIJDS-OAHLLOKOSA-N	310.781	1.885	50	20	DDGD	
O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCC(Cl)Cl	294288198	HAHDSNNDVCGYJV-YUMQZZPRSA-N	307.177	1.082	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CC1CC1)c1ccc([N+](=O)[O-])cc1F	294312063	XQWVLPNPNJHQHB-UHFFFAOYSA-N	323.324	1.959	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1nc(-c2ccccc2)no1	298103506	NQDJWCIBIGNHJF-UHFFFAOYSA-N	301.306	1.689	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCC[C@@H](C)[C@@H]1C	299221300	INGLVFDWOMMJGN-HIFRSBDPSA-N	317.433	1.805	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cnc(C(C)(C)C)nc1)C1CC1	808402861	GLTPESUJBUBLAM-VIFPVBQESA-N	321.450	1.682	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccccc1Oc1cnn(C)c1	801140691	SOJVCGNHZJOUQT-UHFFFAOYSA-N	317.349	1.566	50	20	DDGD	
Cc1n[nH]c(C)c1CCC(=O)NNC(=O)c1ccccc1F	298651733	YRXVFBCPHZXTET-UHFFFAOYSA-N	304.325	1.559	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1c[nH]c(-c2ccccc2)n1	295371104	JZHFECIOZNGLAY-CYBMUJFWSA-N	314.345	1.407	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)Nc1cccnc1	804030299	FEXXXNBXKPMZKL-UHFFFAOYSA-N	304.281	1.452	50	20	DDGD	
CCCN(NC(=O)[C@@]1(O)CCSC1)C(=O)OC(C)(C)C	804594068	LZXVKBXRKIKESK-CYBMUJFWSA-N	304.412	1.533	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@@H]1CCCO1)[C@H](C)c1ccccc1	293306126	IOORNEOWILGDJL-OBJOEFQTSA-N	305.378	1.688	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cncc(-n2ccnn2)c1	801799040	OTQWNKXUGJMKSG-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NNc1ccnc(F)c1	801950354	HGFZYPNICYNFJA-UHFFFAOYSA-N	309.232	1.607	50	20	DDGD	
O=C(NNc1nnc[nH]1)[C@@H]1CCN(c2ccccc2Cl)C1	298326494	KFPSZJFQXROXAN-SECBINFHSA-N	306.757	1.428	50	20	DDGD	
COc1ccc(OC)c(CC(=O)NNc2nccc(OC)n2)c1	298325612	XRYPHIBTVXSQQE-UHFFFAOYSA-N	318.333	1.188	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1c(F)cc(Cl)cc1F	296968142	RHTOIDGTLIUWCE-VIFPVBQESA-N	319.695	1.950	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNc2ccc(OC)cn2)c1C	294756354	ZEXXQXOABWWBRO-UHFFFAOYSA-N	303.366	1.609	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1cccc(CN(C)C)c1	814864638	GXIBGGSERONHES-CQSZACIVSA-N	321.421	1.640	50	20	DDGD	
COC(=O)C1(C(=O)NNc2cc(Cl)nc(Cl)c2)CC1	819746561	BBZLGDJQFDPXRR-UHFFFAOYSA-N	304.133	1.785	50	20	DDGD	
CCc1oc(C=NNC(=O)N=c2cc[nH]cc2)cc1C(=O)OC	815003232	KJTMILTVVBKZHX-UHFFFAOYSA-N	316.317	1.601	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NC[C@@H]1COc2ccccc21	812442881	FTJJXDCDZNSCCK-MRVPVSSYSA-N	317.267	1.445	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2cnns2)cc1C	812313888	SDFJUWBFJFGJQL-UHFFFAOYSA-N	306.347	1.780	50	20	DDGD	
CCc1nocc1C=NNC(=O)CSc1nc(C)cc(C)n1	814708495	IAGRDYNDJCFVGK-UHFFFAOYSA-N	319.390	1.886	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NN=Cc2n[nH]cc2C)n[nH]1	814877873	FAPCTCCQVJONPU-UHFFFAOYSA-N	324.344	1.881	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=C1CCCC12CCCC2	814859887	FOSZHGWJQMZNFH-UHFFFAOYSA-N	304.350	1.647	50	20	DDGD	
Cn1nncc1NNC(=O)c1csc(-c2ccccn2)n1	816771140	ZSLHCSMYCFROFI-UHFFFAOYSA-N	301.335	1.091	50	20	DDGD	
O=C(NNc1ncccn1)Nc1nc2cc(Cl)ccn2n1	810249569	DLSYTOICQMRQEL-UHFFFAOYSA-N	304.701	1.321	50	20	DDGD	
O=C(NNc1cnccn1)C1CCC(OC[C@@H]2CCCO2)CC1	816173788	UIPJZPGJNYJDCK-RUXDESIVSA-N	320.393	1.674	50	20	DDGD	
CCN(CC(=O)NNC(=O)C(C)(C)C)[C@H]1CCOC(C)(C)C1	810043067	FHOQCDPOKGPASO-LBPRGKRZSA-N	313.442	1.459	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)CNc1ccc(C)cc1C	811634958	HRKREWHZGOTVSE-AWEZNQCLSA-N	316.405	1.876	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1cnc([C@H]2CCCO2)s1	815001997	HQLHYVFOYAREFQ-GFCCVEGCSA-N	317.374	1.967	50	20	DDGD	
CC(C)C[C@H](CNC(=O)NNC(=O)CC(C)(C)C)C(=O)O	818624732	UHQHUTQSCRZTLI-SNVBAGLBSA-N	301.387	1.500	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cn(C)nc1C1CC1	813508550	JLJRWCBWBDLRNZ-UHFFFAOYSA-N	314.345	1.841	50	20	DDGD	
COc1ccncc1CNC(=O)NNC(=O)c1ccccc1C	814271098	DSYWDDHQPAYBHR-UHFFFAOYSA-N	314.345	1.543	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)O)CCC1=NNC(=O)c1ccc(O)c(O)c1	814920973	PEZJYOHZRTYGPW-PSASIEDQSA-N	306.318	1.704	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)c1cc(Cn2cccn2)on1	815983685	MROVJBJGXTUXQO-UHFFFAOYSA-N	318.724	1.725	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccc(NC3CC3)nc2)c1	728870741	AUQXZBCJTOELPO-UHFFFAOYSA-N	321.340	1.602	50	20	DDGD	
C[C@@H]1CCC[C@@]1(C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	822192384	LASAZWWOQUKWDH-HYSWKAIVSA-N	318.373	1.800	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C	491528822	VZMWYLJLPFNLNG-GHMZBOCLSA-N	313.398	1.483	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=S)NCCc1cccnc1	727697214	FDDGVLGQZIKRGW-UHFFFAOYSA-N	306.313	1.072	50	20	DDGD	
C[C@H](Cc1ccc(F)cc1)C(=O)NNC(=O)Cc1cccnc1	728851504	GUCCUTQHOLXNBA-GFCCVEGCSA-N	315.348	1.789	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](C)CNC(=O)OC(C)(C)C)nn1	495377856	UQABFLVJTUKMGI-SNVBAGLBSA-N	324.385	1.324	50	20	DDGD	
Cc1ccc(CN(C)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)s1	827307591	SWODDQDPCOEIAT-CMPLNLGQSA-N	311.407	1.654	50	20	DDGD	
CCOC(=O)N[C@H]1CCCN(C(=O)NCCSSC)C1	497115990	MCANOXDWKZIRID-JTQLQIEISA-N	321.468	1.918	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C	494142601	QIAHBTXAIQGEHH-QMMMGPOBSA-N	323.340	1.338	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(C)Cc1cccc(-c2nn[nH]n2)c1	825582975	PSEKICQXWCKXEZ-JLHYYAGUSA-N	312.333	1.269	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cc3c(nc2O)CCC3)c1	728826521	MDFMBIYVJRGVEY-UHFFFAOYSA-N	322.324	1.222	50	20	DDGD	
Cn1cc(Cl)cc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	826362435	RZJLUAHYOKLEOH-UHFFFAOYSA-N	317.740	1.616	50	20	DDGD	
CO[C@H](CNC(=O)NNc1nc2ccccn2n1)C1CCCC1	823305947	NXLMJTFMDOYLRH-GFCCVEGCSA-N	318.381	1.561	50	20	DDGD	
CC[C@H](Oc1ccccc1Cl)C(=O)NN(C)[C@H](C)CO	823946073	DRQLGFNNAZCXRM-PWSUYJOCSA-N	300.786	1.841	50	20	DDGD	
Cc1nnc([C@@H](C)NC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)o1	490725794	KWBSWTHTSZANOU-SRCKSBHPSA-N	324.344	1.681	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1	585031941	ZZSLHEGQWIGSHB-JSGCOSHPSA-N	315.144	1.825	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(-c2cc(O)nc(C)n2)cc1	490833543	XJYAEHSHRUNIJE-UHFFFAOYSA-N	317.305	1.550	50	20	DDGD	
Cc1cnc([C@@H](NCc2cccc(B(O)O)c2)C2CC2)s1	585025641	ZHIMAAVKQWPTLN-AWEZNQCLSA-N	302.208	1.372	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(Br)c(F)c1C	823800063	ZPVVUJOAMJRULH-UHFFFAOYSA-N	318.146	1.861	50	20	DDGD	
CCOc1cc(C(=O)N2CC[C@@H](B(O)O)C2)cc(Cl)c1O	585067074	UUCGFKBJKLPTLM-SECBINFHSA-N	313.546	1.133	50	20	DDGD	
CCN(CCO)NC(=O)/C(C)=C\c1ccc(Br)o1	823902956	WZJPLNQKSYRVJR-HJWRWDBZSA-N	317.183	1.791	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc(-n2cncn2)nc1	829224942	JIUXMEZUGJTTKH-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CC2CC(F)(F)C2)cc1	824044592	UHLKFQGGQNSCCP-UHFFFAOYSA-N	311.332	1.990	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCC[C@H]1c1cccs1	584925672	ZZBIUWXTJUMULH-ZDUSSCGKSA-N	301.176	1.405	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CC[C@H](c3ccccc3F)C2)cc1	585039106	NRCZZERQBUAYNU-GOEBONIOSA-N	313.181	1.931	50	20	DDGD	
C[C@H]1[C@@H](C)N(C(=O)[C@]2(C)C[C@@H]2Br)CCS1(=O)=O	906744440	IOGJIAHQVNJOAF-UYAYMFIHSA-N	324.240	1.194	50	20	DDGD	
CCCC[C@@H](NCc1ccc(B(O)O)o1)c1ccc(OC)cc1	585019838	IFEVJAHNOWJXMT-MRXNPFEDSA-N	317.194	1.989	50	20	DDGD	
CC[C@@H](NC(=S)NNC(=O)c1cnccn1)c1cccs1	734373587	IKUYFCUUDWGELB-SECBINFHSA-N	321.431	1.798	50	20	DDGD	
CC[C@@H]1C[C@H](c2nc(-c3ccc(B(O)O)cc3)no2)CCO1	585050748	JLDVLXDCKMYWGN-DGCLKSJQSA-N	302.139	1.089	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cnc2c(cnn2C(C)C)c1	494364707	ONLJFRLDFOQSPJ-UHFFFAOYSA-N	306.326	1.795	50	20	DDGD	
OB(O)c1cccc(CN[C@H]2CC[C@H](c3ccccc3F)C2)c1	585040046	YWOALSJQSKHARR-HOCLYGCPSA-N	313.181	1.931	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)[C@@H]2CCO[C@H]2C)cc1C	901257860	DFKDCRNYMKTJFG-SMDDNHRTSA-N	304.346	1.657	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@@H]1C[C@@H]1c1c(F)cccc1F	734867630	RURMGXWFZKLOPQ-JOYOIKCWSA-N	309.316	1.951	50	20	DDGD	
C[C@H]1CC(C)(C)CN1CC(=O)NNC(=O)c1ccc(C#N)cc1	839658998	SZPOJXYPYIFFRB-LBPRGKRZSA-N	314.389	1.440	50	20	DDGD	
CCc1ccccc1NC(=S)NNC(=O)C1CCOCC1	732278667	RLESZMINYZHESO-UHFFFAOYSA-N	307.419	1.993	50	20	DDGD	
COc1ccc([C@H](NCc2ccc(B(O)O)cc2)C(C)C)cc1	585015485	ZSPMGXLRNKUGSG-GOSISDBHSA-N	313.206	1.862	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2	837405522	QIZUMNASRAETFP-MVWJERBFSA-N	304.321	1.131	50	20	DDGD	
CCCCN(C)C(=O)C1CCN(S(=O)(=O)CCl)CC1	830087177	ADHOPZGTFUEAGC-UHFFFAOYSA-N	310.847	1.483	50	20	DDGD	
C#CCCCC(=O)NN[C@H](CCCC)C(=O)Nc1cc(C)on1	901644441	QYQMVKQVHKBSTC-CYBMUJFWSA-N	320.393	1.905	50	20	DDGD	
COCCOC1CCN(C(=O)[C@@]2(C)C[C@H]2Br)CC1	906722603	IXOUMVBTCISTRL-YPMHNXCESA-N	320.227	1.814	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNc1ccc2c(=O)[nH]ccc2c1	839759463	AMRULRLINWEAGO-GFCCVEGCSA-N	317.345	1.561	50	20	DDGD	
CCOC(=O)C[C@@H](C)S[C@H](C)C(=O)NNC(=O)CC(C)C	734980900	CPOGPXMSWXLQMC-GHMZBOCLSA-N	318.439	1.643	50	20	DDGD	
Cc1ccc(NNC(=O)NNC(=O)c2ccccc2C)nn1	730021244	CCTUQXFHZFCIMX-UHFFFAOYSA-N	300.322	1.065	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cc3c(cn2)CCC3)n[nH]1	836701766	GMDWQKQLWZCWMO-UHFFFAOYSA-N	300.322	1.068	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)nn1C(C)(C)C	833255645	HBWOUCVSTLMHSL-LBPRGKRZSA-N	308.382	1.277	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC(C)C)cc(C)c1OCC(=O)O	832864971	YQQHJYOWQGHNDN-UHFFFAOYSA-N	323.349	1.119	50	20	DDGD	
Cc1ccc2c(c1C)C(=NNC(=O)CN1CCCC1=O)CCO2	737423160	RDAPTFLLPLUHPT-UHFFFAOYSA-N	315.373	1.529	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)c1ccc(C(=O)O)c(F)c1	833149463	QWTWYNJTJVKQAC-UHFFFAOYSA-N	320.251	1.738	50	20	DDGD	
COCC1(CNC(=O)NNc2cccc(OC)n2)CCCC1	836657631	AEJOKFQYXVSUDG-UHFFFAOYSA-N	308.382	1.923	50	20	DDGD	
O=C(CN1CCCC[C@H]1Cc1ccccc1)NNC(=O)C1CC1	733194568	AALNVHTWPIMAPQ-INIZCTEOSA-N	315.417	1.641	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(S)n1)c1ccccc1F	730587353	KJYZMFAZCALJSB-UHFFFAOYSA-N	320.349	1.693	50	20	DDGD	
O=C(NN=C1CCCS(=O)(=O)C1)C12CC3CC(CC(C3)C1)C2	731924614	KYWLEBPFNMQYNG-UHFFFAOYSA-N	324.446	1.884	50	20	DDGD	
COc1cc(F)cc(C[C@@H](C)NC(=O)NNc2ncccn2)c1	838728358	FMRHYXQGVHZOJT-SNVBAGLBSA-N	319.340	1.882	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccccc1OCC(C)C	731342835	BPIXCZCGRCZGSF-UHFFFAOYSA-N	323.393	1.702	50	20	DDGD	
CC(C)Oc1cccc([C@@H](O)CNS(=O)(=O)CCl)c1	830638688	OONZVKZEZMQMGJ-LBPRGKRZSA-N	307.799	1.623	50	20	DDGD	
COCC(=O)NN=C(C)c1cnc2sc(C(=O)O)c(C)c2c1	831541481	XDSPRDFTBPNUPS-UHFFFAOYSA-N	321.358	1.790	50	20	DDGD	
C[C@H]1CC[C@@H](C)C(=NNC(=O)Cc2cc(O)nc(S)n2)C1	834936634	BABFQIQQRLPMAT-DTWKUNHWSA-N	308.407	1.942	50	20	DDGD	
Cc1cc(C=NNC(N)=O)c(C)n1-c1ccc2c(c1)OCO2	917022194	DUSOUTBONZLVNR-UHFFFAOYSA-N	300.318	1.825	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1	837622753	JADILIQBSKJWFS-OAHLLOKOSA-N	302.378	1.136	50	20	DDGD	
C[C@@H](Cc1cnc2ccccc2n1)C(=O)NN(C)C[C@@H](C)O	910144389	HPQLWTAJDIUMBA-NWDGAFQWSA-N	302.378	1.152	50	20	DDGD	
C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)NNC(=O)c1ccncc1	747348235	GHTTYFVCSVOBGN-YVEFUNNKSA-N	313.357	1.397	50	20	DDGD	
COCC(C)(C)CCCNC(=O)NNC(=O)[C@H]1CCCCO1	836457203	KWURGWOTEBNIMW-GFCCVEGCSA-N	315.414	1.339	50	20	DDGD	
CC(C)C[C@@H](C)OCCC(=O)NNC(=O)[C@@H]1CCCCO1	833246840	SMLFKLJTKHMOLU-OLZOCXBDSA-N	300.399	1.544	50	20	DDGD	
COC(=O)c1ccc(O)c(C=NNC(=O)[C@H]2CCCCO2)c1	834988560	KAGFHJRZSRANEY-CYBMUJFWSA-N	306.318	1.198	50	20	DDGD	
CC(C)(C)n1nnc(CC(=O)NNc2ccc(F)cc2F)n1	830786477	SMMWASBCCCRFFK-UHFFFAOYSA-N	310.308	1.392	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1ccncc1F)c1ccccc1	741188995	SUSWQPAFMBFBJZ-UHFFFAOYSA-N	301.321	1.960	50	20	DDGD	
CN(C)CCCNC(=S)NNC(=O)CCc1ccccc1	749767823	LNXQLPBPGBBJEW-UHFFFAOYSA-N	308.451	1.066	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2cccc(Br)c2)CN1	916981246	HMIXVHBMDYFATK-MRVPVSSYSA-N	312.167	1.418	50	20	DDGD	
Cc1noc(C(F)F)c1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843655453	VFXYEFVPFSCZIO-RNFRBKRXSA-N	303.265	1.107	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1	745855798	ZYATTYJJVGXCJB-QWHCGFSZSA-N	319.409	1.813	50	20	DDGD	
C[C@H](CO)CSCC(=O)NNC(=O)c1cccc(Cl)c1	746390201	ZJPOSGGCKLOTEQ-SECBINFHSA-N	316.810	1.463	50	20	DDGD	
CCO[C@H](CC)C(=O)NNC(=O)c1ccc2ccccc2n1	919972858	GIZBCHPUQHZIIY-CQSZACIVSA-N	301.346	1.811	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	843652729	KUFOGIMQDBUFOJ-OQYTZFCBSA-N	324.396	1.867	50	20	DDGD	
CC[C@@H](N)CNC(=O)NNC(=O)CSc1ccc(C)cc1	842004523	FSJHDLIZLLJATL-LLVKDONJSA-N	310.423	1.155	50	20	DDGD	
C[C@H](Cc1ccc(C#N)cc1)C(=O)NNC(=O)[C@H]1CCCCO1	847061923	MNOSKVHWBDZLGJ-IUODEOHRSA-N	315.373	1.453	50	20	DDGD	
COc1nc(N)nc(N2CCCC2)c1C=NNC(=O)C(C)(C)C	915966616	KYRPCDICFBQHJZ-UHFFFAOYSA-N	320.397	1.164	50	20	DDGD	
COc1cccc([C@@H](C)C(=O)NNc2nccn(C)c2=O)c1	747941609	JXWODUIMNNDNBS-SNVBAGLBSA-N	302.334	1.036	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1noc2c1CCCCC2	843656363	MQSVNDLKIRDGCC-UWVGGRQHSA-N	307.350	1.130	50	20	DDGD	
O=S(=O)(CCl)N1CC[C@H](c2ccccc2)[C@H](CO)C1	849458053	YCSIGOFXHBCDCF-QWHCGFSZSA-N	303.811	1.611	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)o1	847444613	IVBWVTJOWQSDED-CHWSQXEVSA-N	320.393	1.549	50	20	DDGD	
COCCOCC(C)=NNC(=O)c1cnn(-c2ccccc2)c1	741164514	OKFUIXTZYRKKOG-UHFFFAOYSA-N	316.361	1.641	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@H](C)CCC(C)C	748611870	DZRGPIAMXIAKRJ-VXGBXAGGSA-N	303.403	1.193	50	20	DDGD	
COc1cc(C)nc(NNC(=O)COc2ccccc2C=O)n1	746623841	RSDPQBOYIJXQRD-UHFFFAOYSA-N	316.317	1.128	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)N[C@@H]1CCN(CC2CC2)C1	745832889	OKJDJVSQIRKAHY-GFCCVEGCSA-N	309.801	1.845	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H](C)C2CC2)c1	748143760	QPJQJHBQOCYVPW-LLVKDONJSA-N	304.346	1.345	50	20	DDGD	
CO[C@@]1(C=NNC(=O)[C@H](C)Oc2ccc(F)cc2)CCOC1	841610373	HNCJFEAYPHYNRO-XHDPSFHLSA-N	310.325	1.501	50	20	DDGD	
COc1cc(C)c(S(=O)(=O)NNC(=O)CC(C)C)cc1C	917725835	VZUBEUHYHQJPFS-UHFFFAOYSA-N	314.407	1.668	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@H]2C[C@]23CCOC3)cc1	846378399	XHUPDHHBYATEOQ-CJNGLKHVSA-N	304.346	1.272	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@@H]1COCC[C@@H]1c1ccccc1	841384922	JUZVFLJDJJGXLB-HUUCEWRRSA-N	317.389	1.547	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C2C[C@H](C)n3ncnc32)c1	841610260	JLMZSFCTWYFRRV-VIFPVBQESA-N	315.333	1.394	50	20	DDGD	
O=C(NC[C@H]1CNCCO1)NNc1cc(Cl)ccc1Cl	842011538	PTPUPMIZTKGQCB-SECBINFHSA-N	319.192	1.608	50	20	DDGD	
C=C(C)CONC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	845589400	DIYCXORCPNXMAR-CYBMUJFWSA-N	321.377	1.909	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@@H](CO)[C@H]1C	840564761	TWDLTTYMJMIKTB-YPMHNXCESA-N	313.829	1.972	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CC=CCC1	910139556	BBAJVLWTGJSKPG-BLLLJJGKSA-N	312.410	1.398	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@H]1COc2ccccc2O1)C1CCCC1	749332192	SNHGSJUITGUXKF-XHDPSFHLSA-N	318.373	1.800	50	20	DDGD	
Cc1c(CC(=O)NNc2ncnc(Cl)c2C(C)C)cnn1C	840544597	FKNUBDLMGNWVON-UHFFFAOYSA-N	322.800	1.981	50	20	DDGD	
COc1ccc2c(c1F)NC(=O)C2=NNC(=O)[C@@H]1CCO[C@H]1C	842549098	GYJSAOXBDLSVQJ-JGVFFNPUSA-N	321.308	1.032	50	20	DDGD	
CCCC[C@@H](CC)CNC(=S)NNC(=O)c1ncccn1	841482501	WJPGBICIYKRJLT-LLVKDONJSA-N	309.439	1.802	50	20	DDGD	
CCc1cccc(NC(=S)NNC(=O)C(=O)N2CCCC2)c1	748150564	AHOZKTFEMCASJN-UHFFFAOYSA-N	320.418	1.189	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)CCOc1ccccc1)C1CC1	858918538	KRYXPIBDWCIJAH-OAHLLOKOSA-N	306.362	1.418	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCc1c[nH]c2c(C)cccc12	854924218	GFWFMOQRWVIOCY-UHFFFAOYSA-N	304.419	1.876	50	20	DDGD	
CC(C)(F)CCNC(=O)NNC(=O)Cc1cn2ccccc2n1	852552132	JTQWNSZMEJPXDN-UHFFFAOYSA-N	321.356	1.345	50	20	DDGD	
CCC(=NNC(=O)c1c(C)nc2ccccn12)c1nccn1C	755506701	LSIZOSKUVPPWIR-UHFFFAOYSA-N	310.361	1.920	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1ccc2c(c1)CCCO2	853313731	GPMWSKXCSFNYCD-ZDUSSCGKSA-N	320.389	1.903	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1CCc2cc(F)ccc21	854952477	KGRCJNHSVDAAJV-GFCCVEGCSA-N	302.309	1.797	50	20	DDGD	
CC[C@H](C)Oc1cc(C(=O)NNC(=O)c2cc[nH]n2)ccn1	855357665	OMZLSFRHNGGUKD-VIFPVBQESA-N	303.322	1.057	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2C[C@@H](C)Cc3c[nH]nc32)n1	857865432	OXUUELYEQPYJJD-CABZTGNLSA-N	313.361	1.240	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(O[C@H](C)COC)cc1	853295747	RRMTUJCYEDFQEI-CYBMUJFWSA-N	323.393	1.770	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C1CCCN(C)CC1	758089958	FJTPKKGSANHGMA-UHFFFAOYSA-N	304.394	1.695	50	20	DDGD	
O=C(NCC12CCC(CC1)C2)NNC(=O)c1cccc(F)n1	852228568	XNMSCHRCZDGYIW-UHFFFAOYSA-N	306.341	1.745	50	20	DDGD	
Cc1cc(CNC(=O)c2c(C)nn(CCCl)c2C)ncn1	757228787	JOECKVHSAJLTBD-UHFFFAOYSA-N	307.785	1.767	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cn(C)nc1C(C)(C)C)C1CC1	855099037	QEJWUTXHKJNWIQ-VIFPVBQESA-N	323.466	1.625	50	20	DDGD	
Cn1cc(C(=O)NN=C2CSCCc3ccccc32)cn1	759197010	QDHASFNHEWVXGR-UHFFFAOYSA-N	300.387	1.844	50	20	DDGD	
Cn1cc(C=NNC(=O)c2cccnc2)c(-c2ccncc2)n1	920356637	ODXXQNSDTVVFOV-UHFFFAOYSA-N	306.329	1.641	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2cc(O)ccc2[N+](=O)[O-])cs1	751129095	CPYVUWWKEYMBLK-UHFFFAOYSA-N	320.330	1.758	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2C[C@@]23CCOC3)c1C	855625547	VSZLKMVLQUSQML-MLGOLLRUSA-N	304.346	1.651	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccccc2OC)nc1	759723938	UWQCYAQKBQIVAB-UHFFFAOYSA-N	301.302	1.634	50	20	DDGD	
CC[C@](C)(O)C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	929291955	XWTAGBUKAPRHSZ-LRDDRELGSA-N	308.378	1.379	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CCSC2)c1C	853800680	WVCRWCCPQHGREX-SNVBAGLBSA-N	309.391	1.913	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1Cc2ccc(O)cc2C1	859477016	DONMQIZNDKPNKS-NSHDSACASA-N	305.378	1.290	50	20	DDGD	
COC(=O)[C@@H]1CCN(C(=O)NCCSSC)C[C@@H]1C	854050456	DDZALCSRIZCZRT-VHSXEESVSA-N	306.453	1.838	50	20	DDGD	
CC1(CCNC(=O)NC[C@]2(C)C[C@H]2Br)OCCO1	856848843	LJSJRLAAFGAXNA-KOLCDFICSA-N	321.215	1.612	50	20	DDGD	
CCn1ccnc1C(C)=NNC(=O)CCCNC(=O)C(C)(C)C	853408272	OVVKTHSVQUZUAR-UHFFFAOYSA-N	321.425	1.686	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1O)c1cncc(F)c1	759223556	HXRZSVSSIKEVDO-UHFFFAOYSA-N	309.684	1.655	50	20	DDGD	
C[C@@H]1CCCN(S(=O)(=O)CBr)[C@@H]1CCCN	850591668	BUCREIXJAVIBBP-NXEZZACHSA-N	313.261	1.508	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CC(F)(F)F)c(C)n1	757682662	LNNBSSLXWRYRNH-UHFFFAOYSA-N	306.244	1.504	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C1CCN2CCC[C@H]12	765557525	SZDQVJNOWHTZRI-CQSZACIVSA-N	317.389	1.804	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)Cc2cc(C)[nH]n2)cc1	767396103	MEYATEFTJDTCGY-UHFFFAOYSA-N	300.318	1.198	50	20	DDGD	
Cc1nn2c(C=NNC(=O)NC3CCCC3)c(C)nc2s1	765573115	WYEPLPORUQXHMV-UHFFFAOYSA-N	306.395	1.983	50	20	DDGD	
O=C(NN=CC[C@H]1CCOC1)c1csc(N2CCOCC2)n1	765564339	RQNCAYWVHPORPR-NSHDSACASA-N	324.406	1.122	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CSc2ccccc2O)ns1	767971283	MXBKOANJGLUVJN-UHFFFAOYSA-N	323.399	1.710	50	20	DDGD	
OB(O)c1cccc(CNc2cc3c(cc2Cl)OCCO3)c1	864030382	JRNKZMCGWLYTFV-UHFFFAOYSA-N	319.553	1.403	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)c1cncc(N2CCCC2)n1	869354601	JBMNLBWBCCPDLK-UHFFFAOYSA-N	319.756	1.277	50	20	DDGD	
C[C@@H](NNC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)C(F)(F)F	862306614	MWCLCJOPOWNIRG-MUWHJKNJSA-N	319.258	1.823	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1cccc(C(C)(C)C)c1	869902959	CUBRYWDWPRQMKL-UHFFFAOYSA-N	308.378	1.408	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CCCc2csc(C)n2)n[nH]1	869013919	KGSAJSUDHDFFQV-UHFFFAOYSA-N	321.406	1.196	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C(=O)N1CCCC1)C1CCC(C)CC1	763758346	RSMTYKGEMKEUBV-JXQTWKCFSA-N	323.437	1.609	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cccc(SC(F)F)c1	763438066	NVNNBFFKUZWDMV-UHFFFAOYSA-N	317.317	1.497	50	20	DDGD	
COCCN(C)CCNC(=O)[C@H](Br)C(C)(C)C	767951224	YFTFSFKIYBXGPZ-JTQLQIEISA-N	309.248	1.490	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1CCCC1=NNC(=O)c1cn[nH]c1	863154657	HSGVVUDRPCEVDK-SNVBAGLBSA-N	307.354	1.573	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N	763517353	HVEBTSKZOSDEKP-VIFPVBQESA-N	320.374	1.044	50	20	DDGD	
CCc1nocc1C(=O)NNC(=O)CCc1ccccc1O	863867216	WNVVGGFRBMKPAO-UHFFFAOYSA-N	303.318	1.336	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccc(C)nc1N(C)C	764678914	VODDLLALTGIQBA-UHFFFAOYSA-N	317.353	1.403	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNC(=O)c1cc(C)cs1)C(C)C	862476081	HNXXPZMJBMEYJM-JTQLQIEISA-N	313.379	1.198	50	20	DDGD	
CC1(C)C(=NNC(=O)CS(C)(=O)=O)C[C@H]1c1ccccc1	863187708	QRTLZHSMIYORFS-LBPRGKRZSA-N	308.403	1.717	50	20	DDGD	
Cc1nn(C)c2ncc(S(=O)(=O)NCC(Cl)Cl)cc12	867471382	HTUJCWOBFQNNMY-UHFFFAOYSA-N	323.205	1.359	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccc(C(F)(F)F)cc1Cl	768259171	FTDXNGWQJSZPHE-UHFFFAOYSA-N	324.686	1.891	50	20	DDGD	
Cc1cc(=NNC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cc[nH]1	860684910	DICVHNXKIDZHKP-AWEZNQCLSA-N	316.365	1.336	50	20	DDGD	
Cc1cc(=NNC(=O)CCN2C(=O)CCc3ccccc32)cc[nH]1	862511105	GPOZUUHZAZUVSZ-UHFFFAOYSA-N	324.384	1.625	50	20	DDGD	
COCCCn1ccc(NC(=O)NNc2cccc(C)n2)n1	860657875	GUZGEGFWBCZMLX-UHFFFAOYSA-N	304.354	1.772	50	20	DDGD	
C[C@H](NNC(=O)[C@]1(C)Cc2ccccc2C(=O)O1)C(F)(F)F	862307478	YASYTUNNDPYCPM-SDBXPKJASA-N	316.279	1.730	50	20	DDGD	
C[C@@H](NNC(=O)Cn1ccc(C(F)(F)F)n1)C(F)(F)F	862304665	QXGIDARJIQKZMH-RXMQYKEDSA-N	304.194	1.474	50	20	DDGD	
CC[C@H](OC1CCCCC1)C(=O)NNC(=O)N1CCOCC1	760474634	OFERUYQGXZSUED-ZDUSSCGKSA-N	313.398	1.187	50	20	DDGD	
C[C@@H](C=NNC(=O)CNC(=O)c1cccnc1)c1ccccc1	763199168	NHNPXMZXVUICHZ-ZDUSSCGKSA-N	310.357	1.717	50	20	DDGD	
Cc1cc(Cl)ccc1C=NNC(=O)[C@@H](C)NS(C)(=O)=O	767378674	UITYEEXSGOAESQ-SECBINFHSA-N	317.798	1.036	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2ccc(OC)cc2)c(C)nn1	1116594961	NEIJUZIEMARYKL-UHFFFAOYSA-N	314.345	1.431	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccc2c(c1)NC(=O)CO2	765111523	FVHGXONSDSPYKC-UHFFFAOYSA-N	322.321	1.579	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2ccc(OCCN(C)C)cc2)n[nH]1	764792672	ANROURVXXRSPKF-UHFFFAOYSA-N	315.377	1.422	50	20	DDGD	
Nc1cnnc(NNC(=O)c2scnc2Cl)c1Cl	1116302026	PDIPVAVYJMTTLS-UHFFFAOYSA-N	305.150	1.579	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1n[nH]c2c1CCC2	777773214	VVIFMNJOVZELTJ-UHFFFAOYSA-N	300.318	1.442	50	20	DDGD	
Cc1ncnc(O)c1CCC(=O)NNc1ncc(Cl)cn1	1118776679	INVCBJNBUQMAMI-UHFFFAOYSA-N	308.729	1.010	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)[C@H]1CCCOC1	771533374	BDTIUWYDQXTDLJ-QMMMGPOBSA-N	300.156	1.714	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)[C@@H]2CCCN2C)cc1	874950613	FNDWTYGPZFGISD-ZDUSSCGKSA-N	321.450	1.164	50	20	DDGD	
O=C(NNc1cnccn1)Nc1ccn(Cc2ccncc2)n1	770035819	XLNCQWDWYYKFJE-UHFFFAOYSA-N	310.321	1.265	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(CC#N)cc2)cc1	1116392004	OIRHLOYBALEPSK-UHFFFAOYSA-N	309.325	1.836	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCCSc1nccs1	875374760	PLFCOJQEWPCRNS-UHFFFAOYSA-N	304.397	1.538	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCc2ccc(OC)cc2C1	779821234	QGWCEFDDTQZUSX-UHFFFAOYSA-N	305.334	1.012	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc2c(c1)CCCC(=O)N2	878607536	YHKAANMPDLJQOK-UHFFFAOYSA-N	306.366	1.576	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)Cc1ccccc1F	772139905	ODWSJNWBWWQKGY-WDEREUQCSA-N	324.352	1.493	50	20	DDGD	
CC[C@@H](NNC(=O)c1ncccn1)C(=O)Nc1ccc(C)cc1	871890552	YSGNEASKFHLECM-CYBMUJFWSA-N	313.361	1.437	50	20	DDGD	
Cc1cc2c(cc1C)C(=NNC(=O)C(=O)NC1CC1)CCS2	777431414	XXJUIVYVXBIZMH-UHFFFAOYSA-N	317.414	1.898	50	20	DDGD	
CC[C@H](C)n1nc(C(=O)NNC(=O)c2cccn2C)cc1C	777907600	YPILSEHHOFOMPN-JTQLQIEISA-N	303.366	1.576	50	20	DDGD	
CCn1c(NNC(=O)[C@H]2CCC=CO2)nc2ccccc2c1=O	777843177	AMAGLWVRPKTYDB-CYBMUJFWSA-N	314.345	1.552	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)N[C@H]1CCn2ccnc2C1	779664899	FAHROIKNODTXKL-VIFPVBQESA-N	306.757	1.573	50	20	DDGD	
CNC(=O)c1ccc(C(=O)NNc2c(F)cccc2Cl)cn1	770197213	RCTXXRWNAXIZCO-UHFFFAOYSA-N	322.727	1.991	50	20	DDGD	
CCC(CC)CC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	772186989	GORUZXIBGWDMQK-LLVKDONJSA-N	300.399	1.938	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)C1(F)CCCC1	773393138	OBQMPDCPUOLKAP-UHFFFAOYSA-N	300.355	1.816	50	20	DDGD	
C[C@H](COCC(F)(F)F)NC(=O)NNc1ccc(C#N)cn1	887986306	UNVLIMSQZXVTSR-MRVPVSSYSA-N	317.271	1.547	50	20	DDGD	
C[C@H](CN(C)C(=O)NNC(=O)c1cccnn1)c1ccccc1	883850378	WQZYTIKLENDWRO-GFCCVEGCSA-N	313.361	1.567	50	20	DDGD	
COC(=O)[C@@H](C)n1cccc1C=NNC(=O)c1ccncc1	774574491	HVMNEUZTXFPKNF-LLVKDONJSA-N	300.318	1.381	50	20	DDGD	
BrC/C=C\n1cc(CCN2CCOCC2)nn1	881295588	QYFZASGSBZQOPW-RJRFIUFISA-N	301.188	1.018	50	20	DDGD	
CCn1cccc(CNC(=O)NN(C)c2ccccc2)c1=O	789842046	UGFRSOQAWOGDAP-UHFFFAOYSA-N	300.362	1.719	50	20	DDGD	
Cn1c(O)nc2cc(C(=O)NNc3ncncc3Cl)ccc21	781815228	RXCYQXPVGBEHKH-UHFFFAOYSA-N	318.724	1.479	50	20	DDGD	
Cc1ccc(CNC(=O)NNc2ccc(F)cn2)c(=O)n1C	787873692	NZOODOSTEJYKBZ-UHFFFAOYSA-N	305.313	1.054	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cn3ccccc3n2)c1	781034572	KBRHSLUZEDCFMH-UHFFFAOYSA-N	310.313	1.878	50	20	DDGD	
CC[C@H](C)[C@@H](C)C(=O)OCC(=O)NNC(=O)c1cccs1	780241451	QCCDFBTYSMZBHR-VHSXEESVSA-N	312.391	1.735	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H]2CO[C@H](C)C2)c1	784146991	WPAYWFSEMZUNPA-CHWSQXEVSA-N	306.362	1.255	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)NCCC#N)cc1	787351231	AQVWFJWFJQCVBD-LLVKDONJSA-N	320.349	1.097	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccc(OC)cn2)nc1	781519516	VQQPESPJUUNQLD-UHFFFAOYSA-N	302.290	1.029	50	20	DDGD	
C/C=C(\CC)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	789229320	USAAHDSKRATXPW-UUILKARUSA-N	304.346	1.656	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)CCC2(C)CC2)C[C@H](C)O1	891767787	LNHLAJRAOJVVCV-STQMWFEESA-N	311.426	1.213	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)c2c[nH]nc2C)ccc1C	789935346	HWJKTNBVJYVUQO-UHFFFAOYSA-N	300.318	1.304	50	20	DDGD	
CSCCCCCCNC(=S)NNC(=O)NCC1CC1	782197868	NCGHRJLFEWEPCD-UHFFFAOYSA-N	318.512	1.998	50	20	DDGD	
Cc1csc(CCNC(=O)NNc2ncncc2Cl)n1	780962688	YUCDFLQUXQFAAZ-UHFFFAOYSA-N	312.786	1.764	50	20	DDGD	
CCOC(=O)NNC(=O)c1cn(CC)nc1-c1ccccc1	895512229	JNKGMYIRUCJHMI-UHFFFAOYSA-N	302.334	1.961	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NC[C@H]1CCC(F)(F)C1	797551347	OHXKTAMCGLCDIH-LURJTMIESA-N	303.231	1.705	50	20	DDGD	
COC(=O)c1ccc(/C=C(\C#N)S(=O)(=O)N(C)C)cc1C	899370438	GNSYMGFYTLVYLH-XYOKQWHBSA-N	308.359	1.538	50	20	DDGD	
O=C(NNC(=O)c1c(F)ccc(O)c1F)c1ccccc1O	798155031	ZJYNKKBIGBIMNM-UHFFFAOYSA-N	308.240	1.451	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C(C)(C)c1c(C)noc1C	797721983	FZSFDTJYOLNNAC-UHFFFAOYSA-N	305.338	1.062	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccnc(Cl)c1F	791259344	PRQKEZOMTHHMBO-UHFFFAOYSA-N	306.688	1.674	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1csc2ccccc12	795300953	BCEJGCQTJVZQCD-UHFFFAOYSA-N	313.404	1.804	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2ccc3ccccc3n2)nn1C	1319979363	OQVLZJIQUGPBLV-UHFFFAOYSA-N	323.356	1.606	50	20	DDGD	
CN(CC(=O)NNC(=O)CC(F)(F)F)Cc1ccccc1	1318041441	YSMYPRUNOJXAEE-UHFFFAOYSA-N	303.284	1.218	50	20	DDGD	
Cc1ccccc1NC(=O)NN=Cc1c(C)nn(CCO)c1C	1319987973	UIYHVOVEQWSETH-UHFFFAOYSA-N	315.377	1.956	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)c1cc2n(n1)CCCO2	1320896054	VEXDZUDYDXYVGA-UHFFFAOYSA-N	320.736	1.394	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCc2cccc(C(F)F)c2)cn1	1320517391	YWUQPYAYEMIIEB-UHFFFAOYSA-N	323.303	1.502	50	20	DDGD	
CCCn1nccc1C=NNC(=O)CCN1CCC(C)CC1	1328522944	RARMOAWBQAQHTB-UHFFFAOYSA-N	305.426	1.865	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccc2nc(C3CC3)sc2c1	1325582434	KCCWOCSJJYZXSR-UHFFFAOYSA-N	320.374	1.709	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCC[C@@H]2OC)cc1OC	1339481450	CJDZTKPOBAVCQI-RYUDHWBXSA-N	322.361	1.280	50	20	DDGD	
C[N+](C)(C)CC(=O)NN=C(C[C@@H]1CCOC1)c1ccc(F)cc1	1330193817	XMDXIJQFLCZJPK-ZDUSSCGKSA-O	322.404	1.779	50	20	DDGD	
CC(=O)NC1CCC(C(=O)NNC(=O)c2ccccc2)CC1	1336444873	KWENUCPRVWZNCI-UHFFFAOYSA-N	303.362	1.143	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1noc(-c2ccc(F)cc2)n1	1334734277	DQFUGTOWIUMJMO-UHFFFAOYSA-N	306.297	1.683	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)CC(=O)NNC(=O)C1CCOCC1	1331960004	MXQHCWGHNIBARE-VIFPVBQESA-N	309.366	1.359	50	20	DDGD	
CC(C)CN1CCC[C@@H]1C(=O)NNc1cc(Cl)nc(N)n1	1335858880	QKVJJEXIVCACCM-SECBINFHSA-N	312.805	1.276	50	20	DDGD	
COCCCOc1cccc(C=NNC(=O)C2CCOCC2)c1	1330904109	OSQKGLNBZPZWPK-UHFFFAOYSA-N	320.389	1.979	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)c1n[nH]c2c1CCCC2	1256323735	CPADWYGJVJVUJX-NXEZZACHSA-N	318.377	1.055	50	20	DDGD	
C=CCCN(C)c1nnnn1C[C@]1(C)C[C@H]1Br	1336186816	NHZAXYBAQXWDNK-KOLCDFICSA-N	300.204	1.859	50	20	DDGD	
Cn1ccc(NNC(=O)CC(C)(C)NC(=O)OC(C)(C)C)n1	1345199389	XXUXNZZNDINKGN-UHFFFAOYSA-N	311.386	1.557	50	20	DDGD	
CSSCCNS(=O)(=O)c1cnc2c(cnn2C)c1	1340720049	GJTOHFVBFFATDV-UHFFFAOYSA-N	318.449	1.258	50	20	DDGD	
C[C@@H]1CN2CCN1C[C@H]2C(=O)NNc1ccc(C#N)c(Cl)c1	1348233544	NHFQGDADYWCYNJ-YGRLFVJLSA-N	319.796	1.043	50	20	DDGD	
C[C@H]1C[C@@H](C)CN1C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1347966842	JHFXFNQVXWKUPN-QYTUQVAYSA-N	317.227	1.533	50	20	DDGD	
O=C(NC[C@@H]1CCOC1)NNC(=O)Nc1cc(F)cc(F)c1	1357190817	BUOKQUCGBPOLER-QMMMGPOBSA-N	314.292	1.337	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc2c(o1)CCCC2	1519847855	KFNPWSIHOOFUKC-UHFFFAOYSA-N	313.448	1.630	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1cc(C(=O)O)ccc1F	1601556054	XWHQVHDFWUVJSL-UHFFFAOYSA-N	318.264	1.385	50	20	DDGD	
CCOCCCC(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1609240420	DHXBSNZTWJXYLU-UHFFFAOYSA-N	324.772	1.780	50	20	DDGD	
O=C(NNC(=O)c1cc[nH]n1)Nc1ccc(C(=O)O)c(Cl)c1	1601555936	SIHRWMKMWYOQIF-UHFFFAOYSA-N	323.696	1.228	50	20	DDGD	
CC(C)[C@@H](F)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	1603225052	JSCVTPKDRDGVSY-SECBINFHSA-N	313.724	1.352	50	20	DDGD	
C#CCCCC(=O)NN[C@H](C(=O)OC)c1cccc(C(=O)O)c1	1602701654	RQWXHYFGGPVJJW-AWEZNQCLSA-N	318.329	1.023	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)cc1C(=O)O	1600463091	WCCKAZIBCQVISE-MNOVXSKESA-N	319.361	1.428	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2C[C@@H](C(=O)O)c3ccccc32)cn1	1600946671	OAIRDUFZDNECTB-TZWLIRKLSA-N	322.324	1.542	50	20	DDGD	
O=C(O)c1cc(C2CCN(S(=O)(=O)CCl)CC2)no1	1608839895	ZMTCJFGOUOZHJH-UHFFFAOYSA-N	308.743	1.078	50	20	DDGD	
C[C@H]1COCC[C@@H]1NC(=O)NNc1cccc(C(=O)O)c1F	1609878522	PCXLXSIJILSZNS-WPRPVWTQSA-N	311.313	1.575	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@@H](N)COC(C)C)nc12	1579784847	SPOXSKOLCQKGMZ-JTQLQIEISA-N	308.407	1.800	50	20	DDGD	
CC(C)[C@H](C(=O)NN=c1sc2ccccc2n1C)[C@H](C)N	1575413942	NUCKFEJSFCIPMU-GWCFXTLKSA-N	306.435	1.791	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C/c1ccc(-c2nn[nH]n2)c(F)c1	1589633096	JVHYPLNHAGXZHT-VZUCSPMQSA-N	314.324	1.685	50	20	DDGD	
C[C@](Cl)(CCl)C(=O)N1CC2(CCCN2C(=O)C2CC2)C1	1846761631	QSIQPNOMSKDJEF-ZDUSSCGKSA-N	319.232	1.836	50	20	DDGD	
O=C(N[C@@H]1CNOC1)[C@]1(c2ccccc2)C[C@@H]1Br	1580749190	LVSBAAUWYXHFSF-MDZLAQPJSA-N	311.179	1.111	50	20	DDGD	
CCC(=O)N1CC2(CCCN2C(=O)[C@](C)(Cl)CCl)C1	1845169775	DYBVAMQZNIWWMR-GFCCVEGCSA-N	307.221	1.836	50	20	DDGD	
C[C@@H](S)C(=O)N1CCCC12CN(C(=O)C(Cl)Cl)C2	1846371255	JQXZBNBJCHJYRN-SSDOTTSWSA-N	311.234	1.312	50	20	DDGD	
O=C(O)CCCC(=O)NNc1cccc(Br)n1	1595027828	QASCOAPFZWAVOI-UHFFFAOYSA-N	302.128	1.542	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)CCOC)C1	1842771941	NLGNQSFAJHQCAT-GFCCVEGCSA-N	316.829	1.634	50	20	DDGD	
CC[C@H](C)CCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1590405306	HZSIZGDGMZGDRQ-JTQLQIEISA-N	316.365	1.454	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)c(C)c1	1592128072	HXXLFGVQQQGLCT-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCCCC(=O)O)cc1F	1593883015	MTPKYVFBQWIGDO-UHFFFAOYSA-N	312.297	1.700	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ccc(C(=O)O)cc2)c1Cl	1594666101	CGESOGOVFRFACH-UHFFFAOYSA-N	307.697	1.167	50	20	DDGD	
CCOc1ccc(OCCCC(=O)NNC(=O)C2CC2)cc1	15794227	TXTWXUWARCBLQK-UHFFFAOYSA-N	306.362	1.802	50	20	DDGD	
COC(=O)NNC(=O)COc1ccccc1Br	158785599	LDADBGDCJJYRKA-UHFFFAOYSA-N	303.112	1.215	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)[C@@H](C)Sc1nncn1C	160768105	IIEGYTIMKVGHNV-SECBINFHSA-N	309.370	1.887	50	20	DDGD	
CS[C@@H](C)CNC(=O)NNC(=O)c1c[nH]c2ccccc12	163790892	WBPSZZBATOOMDU-VIFPVBQESA-N	306.391	1.863	50	20	DDGD	
CCn1c(NNC(=O)[C@@H]2CCCCN2)nc2ccccc2c1=O	151541041	CXLIEMIRQBAQKE-ZDUSSCGKSA-N	315.377	1.002	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNc2cccc([N+](=O)[O-])c2)c1	151538212	FEFXXRDHTGDTAS-UHFFFAOYSA-N	300.274	1.451	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CS(=O)(=O)CC(C)C)c1	157660069	XYRWRKJVHKIIFY-UHFFFAOYSA-N	318.370	1.348	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cnn(-c2ccc(F)cc2)n1	156271400	WXSPHNKGOABFGK-UHFFFAOYSA-N	305.313	1.214	50	20	DDGD	
COc1ccc(NNC(=O)NC2CCN(C(C)C)CC2)nc1	156563859	HABZYDBONFOZNW-UHFFFAOYSA-N	307.398	1.589	50	20	DDGD	
CCC(=O)c1cccc(S(=O)(=O)NNC(=O)[C@H](C)CC)c1	159911004	QELRQFSVMTZZFY-SNVBAGLBSA-N	312.391	1.635	50	20	DDGD	
O=C(NNc1ncccn1)Nc1cncc(Br)c1	120278997	OSHJSXHBECFORY-UHFFFAOYSA-N	309.127	1.783	50	20	DDGD	
O=C1CCCN1CCNS(=O)(=O)c1ccc(CCl)cc1	405397622	KEWUUXXENWJJQJ-UHFFFAOYSA-N	316.810	1.326	50	20	DDGD	
CCc1ccc(C(=O)NNC(=S)NCCCN(C)C)cc1	7380163	LLBOEDFLFZMIFG-UHFFFAOYSA-N	308.451	1.310	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)N1CCOCC1	56325217	VZLYRCYUOXAYJI-UHFFFAOYSA-N	313.357	1.455	50	20	DDGD	
CCCCNC(=S)NNC(=O)C(=O)Nc1ccc(C)cc1	8081320	FSELBFKFOCXBIX-UHFFFAOYSA-N	308.407	1.229	50	20	DDGD	
CNC(=O)NNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	50610583	SVGOFWSGVQZZCV-UHFFFAOYSA-N	321.318	1.292	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2cc(C)n[nH]2)cc1	54146665	NJHBGXWLGOMQSO-UHFFFAOYSA-N	304.375	1.580	50	20	DDGD	
Cc1ccc(C(=O)C(=O)NNC(=O)Cc2ccccc2F)cc1	108974265	WZHWLKBHMIQYBO-UHFFFAOYSA-N	314.316	1.707	50	20	DDGD	
CCOc1cccc2c1OCC(C(=O)NNc1ncccn1)=C2	56654582	OKLMXYYPHWXBGK-UHFFFAOYSA-N	312.329	1.794	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ccnc3ccccc23)cn1	106923649	OZPUYLANJXXPOJ-UHFFFAOYSA-N	307.313	1.486	50	20	DDGD	
Cc1nnc(NNC(=O)c2occc2-c2ccccc2)nc1O	21128018	SUNYWPKKZCOGTK-UHFFFAOYSA-N	311.301	1.903	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Cc2csc(C(C)(C)C)n2)cn1	117679826	CYEMZMIUMQVCCV-UHFFFAOYSA-N	321.406	1.178	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)NCc2ccco2)cc1	20177713	AHIAQTFVQCBBIO-UHFFFAOYSA-N	303.318	1.361	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Cc2ccc(OCC#N)cc2)n1	110616781	FTWXCHUWJBPBJF-UHFFFAOYSA-N	311.345	1.682	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC1(c2ccc(F)cc2)CC1	66700171	VPQBUKHHDWDTIV-UHFFFAOYSA-N	309.341	1.224	50	20	DDGD	
COc1ccc2[nH]cc(CC(=O)NNC(=O)NC3CC3)c2c1	68266665	TWGHLNJFLJHQOR-UHFFFAOYSA-N	302.334	1.212	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CCCO[C@H](C)C2)cc(C#N)n1C	171011163	YRTCNAQMPYHRKK-FKZYXTMDSA-N	312.373	1.750	50	20	DDGD	
CCN(CC)[C@@H]1CCN(C(=O)NNC(=O)c2ccc(C)s2)C1	175914747	QEPCPUPMFSEBBS-GFCCVEGCSA-N	324.450	1.827	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)NCc1ccccc1	25110693	CVNLKTGBHHTDFR-UHFFFAOYSA-N	317.320	1.735	50	20	DDGD	
C#CCCCNC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	173320828	NDMYFDFPKJGYNK-NSHDSACASA-N	307.325	1.337	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1ccc(OC)c(Cl)c1	32586168	ZKCREHQILRVBIL-UHFFFAOYSA-N	308.743	1.288	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc(-c3ccccc3)on2)O1	125322083	RUOAPMWTOGVQOH-GWCFXTLKSA-N	315.329	1.670	50	20	DDGD	
O=C1CCc2ccc(NC(=O)NNC(=O)c3ccc[nH]3)cc2N1	186099282	MPXYDTVQEQEMGQ-UHFFFAOYSA-N	313.317	1.366	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)N[C@H]1CCC[C@@H]1CCO	188419857	PPNAUGNNPKAATQ-OCCSQVGLSA-N	323.368	1.250	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCCCCCO)cc(C#N)n1C	182270196	GUOOEPOPDXCKPN-OQLLNIDSSA-N	314.389	1.781	50	20	DDGD	
Cn1ccc(CC(=O)NNC(=O)Cc2ccc3ccccc3c2)n1	180785516	CIYJHSSURHFYEO-UHFFFAOYSA-N	322.368	1.506	50	20	DDGD	
Cc1ccc(Cl)c(NC(=O)C(=O)NNC(=O)c2ccc[nH]2)c1	123225611	XFKWDKIKYOQZQN-UHFFFAOYSA-N	320.736	1.376	50	20	DDGD	
CCN(CC)C[C@H]1CCN(S(=O)(=O)CCCCCl)C1	154474414	SQRBSIVDXMRHEI-CYBMUJFWSA-N	310.891	1.999	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1nn(-c2ccccc2)cc1O	122412539	UTUWRICKTHMBFA-UHFFFAOYSA-N	314.280	1.264	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)OCC(=O)NCCC#N)cc1	213359154	LHLGFFVIUAAEAB-LCYFTJDESA-N	313.313	1.175	50	20	DDGD	
CC(C)(O)c1ccc(CNC(=O)NNC(=O)c2ccc[nH]2)cc1	185956907	ZYQCGFVXIMGFPE-UHFFFAOYSA-N	316.361	1.386	50	20	DDGD	
CC(C)Cc1nc(C(=O)NNC(=O)Cc2cc[nH]n2)cs1	186106189	NTIIURNLQACKJM-UHFFFAOYSA-N	307.379	1.068	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccc(C#N)[nH]2)c(C)c1	130328764	DGYWWIDVEXASRT-UHFFFAOYSA-N	311.345	1.376	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C[C@@H]2C=CCC2)c1	73315458	GSUFAVKPZYQKKI-GFCCVEGCSA-N	303.362	1.611	50	20	DDGD	
CCOC1CC(CC(=O)NNC(=O)CCc2ccccc2)C1	189833898	JEGVLYAKSGLDOR-UHFFFAOYSA-N	304.390	1.972	50	20	DDGD	
COC(=O)CCC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	43077842	SQVMWHFCYBNNIL-UHFFFAOYSA-N	322.405	1.694	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CC(=O)NNc1ccc([N+](=O)[O-])cc1	133742255	VWQMGQKJWAVDLZ-UHFFFAOYSA-N	320.265	1.151	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccn(CC(F)F)n1	194386344	LOUKYIKDLWGNGI-UHFFFAOYSA-N	311.248	1.813	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(N(C)C(C)C)nc1	190235945	LMVQCOMOYYCLDJ-ATDKOCKZSA-N	316.405	1.984	50	20	DDGD	
COc1ccnc(NNC(=O)NC2CCN(CC(C)C)CC2)n1	45463366	IQSKMLLDQBRCEL-UHFFFAOYSA-N	322.413	1.232	50	20	DDGD	
Cn1/c(=N\NC(=O)[C@@H]2CCCCC(=O)N2)sc2ccccc21	193758596	JJNABINUINWRLF-UJMUHZSASA-N	318.402	1.231	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccccc1	43933195	CNCQQHJVACAXNZ-SNVBAGLBSA-N	307.350	1.361	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	132362110	VDEMEMNIYLQJCA-BHYGNILZSA-N	322.368	1.293	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)Nc2nccs2)c1	42755644	IEJIHCVAJNLZLX-UHFFFAOYSA-N	320.374	1.992	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNC(=O)NC2CCCCC2)c1	193137917	KIEURWVAYWDAAT-UHFFFAOYSA-N	304.350	1.062	50	20	DDGD	
Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NNC(=O)C(C)(C)O	190072766	UXCBJDZBXJCKNV-GFCCVEGCSA-N	321.421	1.983	50	20	DDGD	
CCN(CC)CC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	143128383	POQCLFRCTSZZRE-LLVKDONJSA-N	311.357	1.082	50	20	DDGD	
CCNC(=O)NNS(=O)(=O)c1ccc(OCC(C)C)cc1	145072746	GPGOATZXNUELCK-UHFFFAOYSA-N	315.395	1.234	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)CCOC2CCOCC2)c1	93544516	HJGKXMDGZSATOX-UHFFFAOYSA-N	324.768	1.635	50	20	DDGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@H]1C[C@H](O)CN1	269196920	SSCKUMQCHNCCLK-IMTBSYHQSA-N	324.595	1.813	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)C2CCSCC2)n1	268582480	JYNXAVHLQUXGQB-UHFFFAOYSA-N	309.439	1.909	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CCSC2)cc(C#N)n1C	266301187	CYHFZVKRYYZALQ-YQJFHSMKSA-N	300.387	1.734	50	20	DDGD	
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccc[nH]1	263994050	DRSHCUXPXNZEMO-VIFPVBQESA-N	310.354	1.079	50	20	DDGD	
COc1ccnc(NNC(=O)NCC[C@H]2CCO[C@H](C)C2)n1	273344693	BBMKBPRGVUKTBA-MNOVXSKESA-N	309.370	1.317	50	20	DDGD	
CO[C@@H](C)C(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	278492850	GVKIOMMCWPWNQA-IUCAKERBSA-N	300.742	1.290	50	20	DDGD	
CCOC(=O)N1CC[C@H](NC(=O)NNc2c(C)cccc2F)C1	274670057	PEYHCACVTNFSDR-NSHDSACASA-N	324.356	1.991	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1cccc(C(=O)NC2CC2)c1	273256162	XCCOXNAKSWEZHK-UHFFFAOYSA-N	302.334	1.142	50	20	DDGD	
CC(=O)NNC(=O)Nc1cccc([C@H](C)N2CCOCC2)c1	274208720	PRJKEBZLSFOKPM-NSHDSACASA-N	306.366	1.252	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1occ2c1CCOC2	368509255	YZWFJQUXKMNEBA-UHFFFAOYSA-N	314.341	1.746	50	20	DDGD	
C[C@@](O)(CC(=O)NNc1nc(-c2ccccc2)no1)C1CC1	270049784	LWDHMGAVRXYMRN-OAHLLOKOSA-N	302.334	1.731	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@H]1CCSC1	279677630	ZPLDBMHDHIPPBA-SNVBAGLBSA-N	309.391	1.392	50	20	DDGD	
CCOCCOc1ccc(Cl)cc1NC(=O)NNC(C)=O	274200528	NZYOVAZQICGIGY-UHFFFAOYSA-N	315.757	1.928	50	20	DDGD	
COc1ccc2c(c1)CN(S(=O)(=O)CBr)CC2	272764386	DAFGHFCBVTXKNW-UHFFFAOYSA-N	320.208	1.736	50	20	DDGD	
CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NN	270206398	ICEVSANLQVBDMN-SECBINFHSA-N	302.421	1.341	50	20	DDGD	
CC[C@@H]1CN(C(=O)NNC(=O)c2cccc(C)n2)CCS1	279690662	PTDWHOLQLURYLL-LLVKDONJSA-N	308.407	1.572	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1CCC(=O)[C@@H](C)C1(C)C	275492226	FZJNJRZYZSDFAB-ZJUUUORDSA-N	306.366	1.570	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccccc1CCOC	276413039	LSVBFJIBLAOFFO-LLVKDONJSA-N	321.377	1.008	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCCCCCCO)c1ccccc1	271802354	LAMZYTXVRLDXLU-UHFFFAOYSA-N	321.421	1.847	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1CCCN1C1CC1	278493982	HTNZAEUKHPCEMK-AWEZNQCLSA-N	317.389	1.012	50	20	DDGD	
CC(C)[C@H]1C[C@@H](NC(=O)NNc2ccc(Cl)nn2)CCO1	271490126	JFUFCKDWUJAPSC-VHSXEESVSA-N	313.789	1.960	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNC(=O)CC2CCCC2)cn1C	273372963	AVILBJSQQULIRV-UHFFFAOYSA-N	322.365	1.545	50	20	DDGD	
CCOC(=O)Cc1nnc(NC(=O)NNc2ccncc2)s1	275551992	BTOTYTFRZJZUNE-UHFFFAOYSA-N	322.350	1.187	50	20	DDGD	
COc1ccccc1-n1ncc(C(=O)NNC(=O)C2CC2)c1C	281567755	QYLUYRLRRPPGOS-UHFFFAOYSA-N	314.345	1.360	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@@H]2CCOC[C@@H]2C)cc1	287044641	TWJGMQQFNVSIKH-WFASDCNBSA-N	319.405	1.866	50	20	DDGD	
COCCN(C)NC(=O)CCCOCc1ccc(OC)cc1	293613217	LZJOGMBLYPMELV-UHFFFAOYSA-N	310.394	1.601	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2CCC[C@H]2C(C)C)n1	299210891	CQVDCXAZRVNMJO-LBPRGKRZSA-N	324.450	1.262	50	20	DDGD	
C[C@H]1CSC[C@@H]1NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	807475613	IEVYVVHHZVCJDN-KWQFWETISA-N	324.362	1.290	50	20	DDGD	
C[C@H](c1ccco1)N(C)CC(=O)NNC(=O)c1ccc(F)cc1	298108127	LVODOXJQQKQFTG-LLVKDONJSA-N	319.336	1.873	50	20	DDGD	
Cc1nccc(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)n1	802001393	UHQMEWWBUBLVCW-UHFFFAOYSA-N	307.260	1.530	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cc(F)cc([N+](=O)[O-])c1	802027980	FKLXPXYPKBNHPY-UHFFFAOYSA-N	319.252	1.017	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N[C@H](C2CC2)C(F)(F)F)n[nH]1	808866357	VTCABRLEBWTUND-MRVPVSSYSA-N	305.260	1.003	50	20	DDGD	
O=C(CC[C@@H]1Cc2ccccc2NC1=O)NNc1ccncn1	295372215	DQSFSRABNNRGHP-GFCCVEGCSA-N	311.345	1.511	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)c2[nH]ncc12	296765090	VDNBRTYMKPYHNG-LBPRGKRZSA-N	317.349	1.593	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)Nc1ccccc1	801986395	KRPTWMSADMJGJK-ZDUSSCGKSA-N	318.377	1.630	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)/C=C/c2ccc3[nH]ccc3c2)O1	294177231	JGVNPHVNQHIDEP-BZEHQHNPSA-N	313.357	1.896	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(C(C)C)oc1C	803718166	MCTVMZQGFJUTKL-JTQLQIEISA-N	310.350	1.814	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H](C)c1nnc2ccccn12	298786240	WJDQZCGFXQGXGB-SNVBAGLBSA-N	304.354	1.167	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)NC2CC2)CCC1)Nc1ccccc1	801988117	LOCULDMTNXIBLD-UHFFFAOYSA-N	316.361	1.288	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@@H]1CCCCO1)c1ccc(C#N)cc1	296515908	ZQOXMIMZWUXJBE-FZMZJTMJSA-N	316.361	1.519	50	20	DDGD	
O=C(NCc1ccccc1[N+](=O)[O-])NNc1cccc(F)n1	804922417	QLWRIDRGKDPHCC-UHFFFAOYSA-N	305.269	1.955	50	20	DDGD	
CC(C)S(=O)(=O)CCNC(=O)/C(C#N)=C\c1ccc(F)cc1	292021891	ZWVAVLDQIUSLAF-LCYFTJDESA-N	324.377	1.672	50	20	DDGD	
Cc1cc2c(cc1C)[C@H](C(=O)NNC(=O)[C@H]1CCCCO1)CO2	295600445	PWLNKYRJXOQKGI-ZIAGYGMSSA-N	318.373	1.496	50	20	DDGD	
Cn1cc(CNC(=O)NNc2ccc3c(=O)[nH]ccc3c2)cn1	806511964	NVRQJKJJBVUVTA-UHFFFAOYSA-N	312.333	1.088	50	20	DDGD	
O=C(NNc1ncncc1F)[C@H](O)c1ccc(Cl)cc1F	817083923	YALFXDATXMEAFQ-SNVBAGLBSA-N	314.679	1.585	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)Cc2ccccc2C)[nH]1	815820794	YKCGPIXUZCLVTK-UHFFFAOYSA-N	315.329	1.113	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H]2CC(=O)N(C3CC3)C2)cc1	817896130	PWDOHNLAAGNZSC-NSHDSACASA-N	303.362	1.539	50	20	DDGD	
CCOc1cccc(C=NNC(=O)COc2ccccc2O)n1	814951852	YWLTWMUUDDRHEV-UHFFFAOYSA-N	315.329	1.715	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2cccc(C#N)n2)c1	810550367	WYOGFQJHUGCHTM-UHFFFAOYSA-N	324.340	1.410	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)[C@H](C)Oc1ccc(F)cc1	811634351	MBHOXMXTHHJEAF-AAEUAGOBSA-N	321.352	1.754	50	20	DDGD	
COc1ccc(C)cc1N1C[C@@H](C(=O)NN(C)C2CC2)CC1=O	819642834	RIRAHOIEDSQQHM-LBPRGKRZSA-N	317.389	1.482	50	20	DDGD	
NC(=O)C(=O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1	818205398	NGPDBIZLPYUICH-UHFFFAOYSA-N	318.314	1.259	50	20	DDGD	
CO[C@@H]1CCC[C@@H](C(=O)NNC(=O)COc2cccc(C)c2)C1	814363736	VQNNIHUFZPAROZ-ZIAGYGMSSA-N	320.389	1.726	50	20	DDGD	
CO[C@@H]1CCC[C@H](C(=O)NNC(=O)COc2ccccc2F)C1	814364215	WIVHGAYMIJRVEC-NWDGAFQWSA-N	324.352	1.557	50	20	DDGD	
Cn1c(NNC(=O)C[C@@H]2CC[C@H]3C[C@H]23)nc2ccccc2c1=O	823320610	VTDAOGXLOGUGHY-GVXVVHGQSA-N	312.373	1.813	50	20	DDGD	
CCNC(=O)C1(CNC(=O)NNC(=O)OC(C)(C)C)CCC1	495850784	UIBOAHVFWCMRAQ-UHFFFAOYSA-N	314.386	1.032	50	20	DDGD	
O=C(CCc1ccc(-c2nn[nH]n2)cc1)NNc1ccccn1	826408791	VCVSQJZAIWDMAR-UHFFFAOYSA-N	309.333	1.338	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(F)c2occc12	823476466	YTJLYNUBXTYDPO-BDAKNGLRSA-N	306.293	1.758	50	20	DDGD	
CCN(CCO)NC(=O)C1(NC(=O)OC(C)(C)C)CCCC1	823856712	YCERCUFNNAPPEZ-UHFFFAOYSA-N	315.414	1.169	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc(F)cc1-c1nn[nH]n1	824072389	VCVNYCTXSQIIGW-UHFFFAOYSA-N	321.316	1.205	50	20	DDGD	
Cc1cccc2c1CCC2=NNC(=O)[C@@H](C)CN1CCOCC1	729143792	RROBPJUDKVZBEM-AWEZNQCLSA-N	315.417	1.730	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1cc(C#N)cc(Cl)n1	494149024	VDPNEZOMRQSZNW-UHFFFAOYSA-N	311.729	1.186	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cc[nH]1	827030754	JRPYSILEFOAHQU-LSDHHAIUSA-N	312.329	1.967	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1nn(-c2ccc(Cl)cc2)cc1O	823952894	VGKBUDGSKJZQIZ-VIFPVBQESA-N	324.768	1.189	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1COc2ccccc21	826446350	IMUVTEHKSSFPNR-CYBMUJFWSA-N	322.328	1.486	50	20	DDGD	
OB(O)c1ccc(CNCCCCOc2ccccc2)c(F)c1	585021244	HVRBJYJEVZNLCV-UHFFFAOYSA-N	317.169	1.454	50	20	DDGD	
COCC[C@](C)(O)CNC(=O)/C(C#N)=C\c1ccc(F)cc1	491084253	NMWYSSGEMLVUBF-OVHOFWQVSA-N	306.337	1.636	50	20	DDGD	
Cc1noc([C@H](C)NC(=O)NNC(=O)Cc2ccc(F)cc2)n1	726278959	KMNULCYCKFBOQP-QMMMGPOBSA-N	321.312	1.151	50	20	DDGD	
CC(C)=CCOc1cccc(CC(=O)NN(C)[C@H](C)CO)c1	823918693	ZTGPFXVYLLRCBM-CQSZACIVSA-N	306.406	1.918	50	20	DDGD	
CCN(CCO)NC(=O)c1ccn(-c2cc(C)ccc2OC)n1	823852951	URQWXHAZYCMBSU-UHFFFAOYSA-N	318.377	1.148	50	20	DDGD	
COc1ncc(/C=C\C(=O)NNc2ccccc2[N+](=O)[O-])cn1	492649193	PBOZNXKTRQXEES-SREVYHEPSA-N	315.289	1.550	50	20	DDGD	
CN1CCC(CCNC(=O)/C(C#N)=C\c2cnn(C)c2)CC1	491100438	ATYBORAYKOTBOF-DHDCSXOGSA-N	301.394	1.175	50	20	DDGD	
CCc1cc(NNC(=O)c2cnn(C)c2)nc(-c2ccccn2)n1	734357149	TWYKVDILGYBLIT-UHFFFAOYSA-N	323.360	1.591	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(C)c1	825775842	GVDBTWOLNFMRLC-HIFRSBDPSA-N	319.405	1.601	50	20	DDGD	
CCOc1cccc2c1OCC(C(=O)NNC(=O)C1CCC1)=C2	732141606	KGRGGVMXCMYONZ-UHFFFAOYSA-N	316.357	1.809	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)Cc1c(F)cccc1Cl	731848202	BPTVEZIMIQYBMM-VIFPVBQESA-N	315.776	1.857	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)c1cccc(F)c1	730778738	UKQDDCGEMFLLHS-UHFFFAOYSA-N	304.277	1.371	50	20	DDGD	
CCc1cnc([C@H](C)NC(=O)c2cc(B(O)O)ccc2F)s1	584961304	PZBTZYMGYWTMAI-QMMMGPOBSA-N	322.170	1.015	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@H]2C[C@@H]2C(=O)O)cc1	737204444	YCEIWERJAOCJEZ-QWRGUYRKSA-N	323.374	1.124	50	20	DDGD	
CC(C)[C@H]1CCCCCN1C(=O)c1cc(B(O)O)ccc1F	584972111	NIFSZUIWSKMITN-OAHLLOKOSA-N	307.174	1.546	50	20	DDGD	
CCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)OC	495366428	BYDJTNNYIOILTA-UHFFFAOYSA-N	304.306	1.272	50	20	DDGD	
O=C(CCOc1ccccc1)NN[C@@H](C(=O)O)c1cccnc1	833103380	YBWQIRYEJDXECO-OAHLLOKOSA-N	315.329	1.297	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1ccc2ccccc2c1)N(C)C	836224257	INCCEFJQPMUGJM-LBPRGKRZSA-N	314.389	1.734	50	20	DDGD	
CC[C@H](OC1CCCC1)c1nc(-c2ccc(B(O)O)cc2)no1	585053989	JERKMAGOZPFBRF-AWEZNQCLSA-N	316.166	1.827	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NNc2ccccc2C(=O)O)C1	833393756	LXOPYQRHPGRJJY-NSHDSACASA-N	305.334	1.086	50	20	DDGD	
O=C1C[C@H](NS(=O)(=O)CCl)CN1c1ccccc1F	831601531	DLAWYXKOUHHNGY-QMMMGPOBSA-N	306.746	1.047	50	20	DDGD	
CCn1ccnc1[C@H](C)NC(=O)NNc1ccc(OC)cn1	836627760	OZWVQTCXMCFTIN-JTQLQIEISA-N	304.354	1.694	50	20	DDGD	
CSSCCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1	831982339	YLNACAUEOSMASW-JTQLQIEISA-N	302.377	1.756	50	20	DDGD	
CCOCc1nc(C)c([C@@H](C)NCc2ccc(B(O)O)o2)s1	585044510	LQBRRGIWHYOWIW-SECBINFHSA-N	324.211	1.112	50	20	DDGD	
COCCN(C)NC(=O)Cc1ccc(-n2nc(C)cc2C)cc1	837621623	LIJIMFNZHHYTNS-UHFFFAOYSA-N	316.405	1.641	50	20	DDGD	
N=C(O)OCc1cn([C@@]2(Cl)C[C@H]2CCBr)nn1	900570168	WAFUYOADQRAOEV-MUWHJKNJSA-N	323.578	1.984	50	20	DDGD	
C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NNc1cccnn1	736698070	SVCSXUISPAZGKJ-NSHDSACASA-N	309.329	1.435	50	20	DDGD	
COc1ccc(-c2n[nH]cc2C=NNC(=O)c2cnn(C)c2)cc1	735411980	FRMUMGMAZPBIDJ-UHFFFAOYSA-N	324.344	1.583	50	20	DDGD	
COc1ccc(C(=O)NN=C2CCN(OC)CC2)c(OC)c1	834956461	XJEJUPDEKBGJFC-UHFFFAOYSA-N	307.350	1.447	50	20	DDGD	
O=C(C[C@@H]1CCS(=O)(=O)C1)NNc1cc(F)c(F)cc1F	734551842	BNQVZQMYEIJQGL-ZETCQYMHSA-N	322.308	1.372	50	20	DDGD	
Cc1nn(-c2cccc(F)c2)cc1C(=O)NN(C)C[C@H](C)O	910146842	MEIBDLPNALIHCF-JTQLQIEISA-N	306.341	1.277	50	20	DDGD	
CCn1cnnc1CNC(=O)NNc1ccc(Cl)cc1F	914165911	ROULYFJIAJBWGS-UHFFFAOYSA-N	312.736	1.917	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C2CN(C3CCCCC3)C2)n1	837589902	HNSVZLDNHMOWPD-UHFFFAOYSA-N	316.405	1.416	50	20	DDGD	
COc1ccc(C=NNC(=O)c2ccnc(N(C)C)c2)cc1C#N	741763654	VJBNHZDJCBVIJQ-UHFFFAOYSA-N	323.356	1.792	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2n[nH]c(C)c2O)c1C	749188063	HRJWBPUZDPAEMC-UHFFFAOYSA-N	319.390	1.672	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)[C@H](O)c1cccnc1	749289120	IEXPBMNDXRAVMX-GFCCVEGCSA-N	322.708	1.820	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)NC[C@H](C)CN)cc1	841963634	URTOQOHCEXSYOM-LLVKDONJSA-N	310.423	1.012	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=O)c2ccccc2O)s1	748547676	XNBVPLLNUIRCHW-UHFFFAOYSA-N	305.359	1.794	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1ccc2c(c1)CCCN2	842000454	FLEITOQPAQSABH-UHFFFAOYSA-N	304.394	1.921	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)[C@@H]2COc3ccccc3O2)cc1	916293395	NBNUJLHBZFZECB-INIZCTEOSA-N	307.309	1.848	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cccc(N(C)C)c1)[C@H]1CCOC1	743654491	HKLREACXVZKUIS-YPMHNXCESA-N	320.393	1.122	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CCCN)cc1OC(F)F	841119397	XTOPKNZPTPZCRT-UHFFFAOYSA-N	316.308	1.488	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)c1c(C)nc2ccccn12	915931445	KXKBWGYIBSFCPB-UHFFFAOYSA-N	310.361	1.757	50	20	DDGD	
CCc1cccc(NC(=S)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	843276614	DSUVODBBBOCXDH-ZWNOBZJWSA-N	307.419	1.992	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@H](O)C(C)C)cc1	841375710	KEZWZIMTAAHZHV-GFCCVEGCSA-N	311.407	1.420	50	20	DDGD	
O=C(NCCNC1CC1)[C@@]12CC[C@@H](C[C@H]1Br)C2	846665485	KXFCGFIPKLHEKR-UFGOTCBOSA-N	301.228	1.808	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(Oc2cccnc2)cc1	910167500	GTCBVWBCWZDBGR-LBPRGKRZSA-N	301.346	1.831	50	20	DDGD	
Cc1nc(O)c2c(n1)CN(C(=O)[C@]1(C)C[C@@H]1Br)C2	913296267	YBHLDJNLKWOTKJ-JOYOIKCWSA-N	312.167	1.506	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)s1	745476648	QTEPSYQANSZILY-UHFFFAOYSA-N	306.303	1.435	50	20	DDGD	
COCCn1ccc(C(=O)NNc2nc3ccccc3n2C)n1	848380791	RZQGQSSDHUOXNG-UHFFFAOYSA-N	314.349	1.173	50	20	DDGD	
CCC(CC)(CO)C(=O)NNC(=O)C(C)(C)c1ccccc1	847475747	NBYUOLMGXONBTN-UHFFFAOYSA-N	306.406	1.910	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H]1CC(=O)N(C)C1	840548306	OMZSKAKLXPAWTE-MRVPVSSYSA-N	311.773	1.175	50	20	DDGD	
CCCC(C)(C)C(=O)NNC(=O)c1nnc(O)c2ccccc12	845084819	ZMIPTXVKDVFTPL-UHFFFAOYSA-N	316.361	1.923	50	20	DDGD	
Cc1noc(C)c1CCC(=O)NNC(=O)NCC(F)(F)F	918707217	HQJMUBAJKGJCPA-UHFFFAOYSA-N	308.260	1.117	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@@H](C)NC(=O)NNC(=O)c1ccccc1O	840416904	ODLZYVDUHAIADJ-QLJPJBMISA-N	321.377	1.540	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@@H]2CSC[C@H]2C)cc1	845192525	GSLNXWVTOKPANP-ZWNOBZJWSA-N	323.418	1.780	50	20	DDGD	
CSSCCNC(=O)N1C[C@H](CN)C2(CCOCC2)C1	841900045	GGCWRBHNVKNWOM-NSHDSACASA-N	319.496	1.395	50	20	DDGD	
CC(=O)NNC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1	920430023	FDISSLKDGVMYHD-LLVKDONJSA-N	318.402	1.680	50	20	DDGD	
Cc1cc(CC(=O)NN=C2CCOc3c(F)cc(F)cc32)n[nH]1	920372226	XKRQAYZKSMIODJ-UHFFFAOYSA-N	320.299	1.842	50	20	DDGD	
CO[C@H](CS(=O)(=O)NNC(=O)C(C)(C)C)C1CCCC1	849305253	ZZWWOWBAVYNAHE-LLVKDONJSA-N	306.428	1.188	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1ccc2nccnc2c1	920856577	RACOWZKXTZBQGO-UHFFFAOYSA-N	311.301	1.367	50	20	DDGD	
COc1cc(CC(=O)NNc2cc(Cl)nc(C)n2)ccc1O	857541126	JGABSRILIBHOOV-UHFFFAOYSA-N	322.752	1.838	50	20	DDGD	
CC(C)(C)S(=O)(=O)CC(=O)NNc1ccc(Cl)cn1	856093087	PZCJVAQBLWUAPY-UHFFFAOYSA-N	305.787	1.391	50	20	DDGD	
CCOC(=O)NCCCC(=O)NC[C@]1(C)C[C@H]1Br	857393781	MYSQKOCWNGAJJN-SKDRFNHKSA-N	321.215	1.802	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](C)C[C@H]1CCOC1	759718710	OJUJRZQGWAKUAI-QWHCGFSZSA-N	305.378	1.754	50	20	DDGD	
CCOC[C@H]1CCCN(C(=O)NNC(=O)c2cccc(F)n2)C1	852711651	RPFJYVYNVRRUSF-NSHDSACASA-N	324.356	1.324	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1noc2c1CCCC2)C1CC1	855101919	DCBRCODZVBEACJ-QMMMGPOBSA-N	308.407	1.461	50	20	DDGD	
CSc1cc(C)c(C(=O)NNc2ccnc(N(C)C)n2)o1	857133623	YOYYUHZXSNRUBR-UHFFFAOYSA-N	307.379	1.923	50	20	DDGD	
COC(=O)[C@H]1C[C@H](NC(=O)[C@@H](Br)C(C)(C)C)C1	856367621	LBWJZYMZHXOKBK-IWSPIJDZSA-N	306.200	1.864	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@@H]2CCO[C@H](C)C2)c1	858343343	YQCAGDHEPCGRLH-GHMZBOCLSA-N	311.407	1.816	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCC2(N)CCCC2)cc1	851671223	IVNUXWQECFTTNV-UHFFFAOYSA-N	304.394	1.465	50	20	DDGD	
O=C(NC[C@@H]1CCCNC1=O)NNc1ccc(F)cc1Cl	922860612	JMAIPZJJPMZODR-QMMMGPOBSA-N	314.748	1.631	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cnn(C(C)C)c1N	758129335	LLXJXGKYLJWAQN-UHFFFAOYSA-N	317.349	1.130	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)COCc2ccccc2)[C@H]1C	859489517	NAKRNCIFGREZIW-JFILPPLUSA-N	320.389	1.410	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1ccc(-n2nccn2)nc1	755947382	JOWFYOACVORMLQ-UHFFFAOYSA-N	315.337	1.005	50	20	DDGD	
Cn1cc(CNC(=O)NC[C@@]2(C)C[C@H]2Br)cn1	856826151	GZIBYHOOTBNJEJ-MWLCHTKSSA-N	301.188	1.393	50	20	DDGD	
Cn1cc([C@@H](O)C(=O)NNc2cc(C(F)(F)F)ccn2)cn1	857513852	LPSMIXSPMBLKPG-SNVBAGLBSA-N	315.255	1.011	50	20	DDGD	
CNC(=O)C(C)(C)CNC(=O)NC[C@]1(C)C[C@@H]1Br	856841917	BMVKZMLCMLWAGC-UFBFGSQYSA-N	320.231	1.231	50	20	DDGD	
C[C@H]1C[C@H](C)N(CC(=O)NNC(=O)c2cccc(C#N)c2)C1	756523063	BLTAWUPFLJXGTI-RYUDHWBXSA-N	300.362	1.050	50	20	DDGD	
NC(=O)c1csc(C=NNC(=O)CCc2ccccc2)c1	755890094	PITJHODRCMFKHY-UHFFFAOYSA-N	301.371	1.930	50	20	DDGD	
Cc1nnc2n1C[C@@H](C(=O)NNc1ccc([N+](=O)[O-])cc1)CC2	750786105	AVIFUVYJJASMKX-JTQLQIEISA-N	316.321	1.200	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC(c2ncco2)CC1	931444443	JICJWKYAMVNEAQ-GFCCVEGCSA-N	322.409	1.436	50	20	DDGD	
C[C@@H](NNC(=O)c1cc(C#N)cc(N(C)C)c1)C(F)(F)F	862321466	XUJNTUWQESAAMG-MRVPVSSYSA-N	300.284	1.809	50	20	DDGD	
Cc1cc(C(=O)NN=C2CN(C(=O)OC(C)(C)C)C[C@@H]2C)n[nH]1	863103055	IVICFVSVLIQTKK-VIFPVBQESA-N	321.381	1.691	50	20	DDGD	
CC[C@@](C)(O)C(=O)NNC(=O)Nc1cc(OC)ccc1Cl	935859985	HUBZFXYWTFGEQI-CYBMUJFWSA-N	315.757	1.662	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NC[C@H](O)c1ccccc1	866828491	MSLJNYHMFIOIOX-LBPRGKRZSA-N	305.827	1.904	50	20	DDGD	
CC[C@](C)(O)C(=O)NNC(=O)Nc1cc(OC)ccc1Cl	935859986	HUBZFXYWTFGEQI-ZDUSSCGKSA-N	315.757	1.662	50	20	DDGD	
Cc1cc(OCC(=O)NN[C@@H](C)C(F)(F)F)ccc1[N+](=O)[O-]	862316764	GQFMNEWTNKLTDQ-QMMMGPOBSA-N	321.255	1.854	50	20	DDGD	
C[C@@H](C=NNC(=O)C1CCN(c2ncccn2)CC1)CCC#N	766021558	VDSFPZIUTWXDQW-CYBMUJFWSA-N	314.393	1.735	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cccc(F)c1O	935198820	NXAKNMPGGNLQGA-UHFFFAOYSA-N	303.384	1.003	50	20	DDGD	
O=C1N[C@@H](C(=O)NNc2cccc(C(F)(F)F)c2)CCO1	860312779	VBIWGSDWCMUJIZ-SECBINFHSA-N	303.240	1.647	50	20	DDGD	
Cc1occc1CNC(=O)NNc1ccccc1S(C)(=O)=O	765687625	AEBPLQGRASTDGQ-UHFFFAOYSA-N	323.374	1.818	50	20	DDGD	
C[C@H](NNC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)C(F)(F)F	862310202	RPQZZRJHTIGSFO-QMMMGPOBSA-N	318.299	1.436	50	20	DDGD	
CC[C@H](C(=O)NN(C)C(N)=O)c1ccc(Br)cc1	860516679	JVZYIIYENNPIMP-JTQLQIEISA-N	314.183	1.984	50	20	DDGD	
C[C@@H](C=NNC(=O)c1nn(C)c(=O)c2ccccc12)CCC#N	765995883	ZZQDZTGSMPTZJG-LLVKDONJSA-N	311.345	1.589	50	20	DDGD	
CC(C)(CC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CCCCC1	862459197	OVJMCRLSILEEMA-LBPRGKRZSA-N	309.410	1.409	50	20	DDGD	
C#CCCN(CC(F)(F)F)S(=O)(=O)CBr	767246731	KMVBERXGLPMEQV-UHFFFAOYSA-N	308.119	1.556	50	20	DDGD	
CCO[C@H](CC(=O)NNC(=S)NCCSC)C(C)C	769767941	BJVHFXLSWVBHPS-SNVBAGLBSA-N	307.485	1.296	50	20	DDGD	
CC(C)NC(=O)NNS(=O)(=O)/C=C\c1cccc(Cl)c1	768883510	LYAHCTWRMAZWSK-SREVYHEPSA-N	317.798	1.853	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(C2CC2)cc1	761072590	VOIWQLDPKSGXQU-UHFFFAOYSA-N	303.362	1.696	50	20	DDGD	
COCCn1nc(C)c(NC(=O)NNc2cccc(C)n2)c1C	860870375	PUOGXPFJVBWQTN-UHFFFAOYSA-N	318.381	1.998	50	20	DDGD	
CN(C)c1ccc2c(c1)NC(=O)C2=NNC(=O)c1cccn1C	761785432	HHAFMKRJROJURW-UHFFFAOYSA-N	311.345	1.177	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNC(=O)c1ccc(OC)cc1	1117931561	GFMJWQHZTPPKJF-LBPRGKRZSA-N	308.334	1.046	50	20	DDGD	
Cc1cccc2c1[C@@H](C)CC2=NNC(=O)[C@@H](C)NS(C)(=O)=O	766706271	QWPZTKOKCFKWPQ-WDEREUQCSA-N	323.418	1.260	50	20	DDGD	
CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NNC(=O)C(C)(C)O	768245775	VIBMZUWQTVFXQU-SRVKXCTJSA-N	300.399	1.279	50	20	DDGD	
C[C@@H]1CCC[C@@H](OCC(=O)NNC(=S)Nc2ccccn2)C1	874956619	JOLKRYWPLXDOJO-VXGBXAGGSA-N	322.434	1.995	50	20	DDGD	
O=C(NNc1cccnn1)N[C@@H]1COc2ccc(Cl)cc21	762062654	YIJDUFDHMLWOLG-SNVBAGLBSA-N	305.725	1.890	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2c3c[nH]nc3CC[C@@H]2C)n1	879422692	TWEAMAIFYRNGOY-XPTSAGLGSA-N	301.350	1.623	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNc2cnnc3ccccc23)n1	878849097	HPDOPYBDEGEAEM-LLVKDONJSA-N	310.361	1.914	50	20	DDGD	
COCc1ccc(NC(=O)NNc2nccc(OC)n2)cc1	772611843	HKCWRZZHWZTGQL-UHFFFAOYSA-N	303.322	1.780	50	20	DDGD	
COc1cccc(C(=O)NCC(=O)NCCCSC#N)c1	773588075	LSMHBUGZOAUETB-UHFFFAOYSA-N	307.375	1.146	50	20	DDGD	
Cc1cccc(NNC(=O)NC[C@H]2CN(CC(C)C)CCO2)n1	875014503	KJEUDMXNGSBDEE-AWEZNQCLSA-N	321.425	1.373	50	20	DDGD	
CN(C)N(C(=O)[C@@H]1CCCC1(C)C)[C@H]1CCS(=O)(=O)C1	776305765	HLYLNQUYPGATPX-RYUDHWBXSA-N	302.440	1.305	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccnc(N2CCCC2)c1	875043989	SSZMSQOYULAANY-UHFFFAOYSA-N	307.354	1.094	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNC(=O)C2CCOCC2)cc1	877895178	NJMPLNSSLDPWLQ-UHFFFAOYSA-N	305.334	1.469	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cnn(-c2cccnc2)c1	772822114	AJNYAQJHXAWLNY-UHFFFAOYSA-N	323.360	1.938	50	20	DDGD	
CCn1nncc1CNC(=O)NNc1cccc(F)c1Cl	875765815	ZXTLDLIRKQJSBQ-UHFFFAOYSA-N	312.736	1.917	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)N[C@H]2CC23CCC3)c1	876426444	RQGYFAIXHSFVQM-LBPRGKRZSA-N	309.391	1.659	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)[C@@H](F)Cc1ccccc1	778501462	CGQPFSOZAZBVHU-HNNXBMFYSA-N	315.348	1.827	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1	875146732	GGHRSANDUHOITC-NSHDSACASA-N	324.356	1.564	50	20	DDGD	
CCC(=O)c1cccc(S(=O)(=O)NNC(=O)C2CCCC2)c1	772856999	JTRPQIMIVQMMFP-UHFFFAOYSA-N	324.402	1.779	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(C(C)(C)C(=O)OC)cc1	878802834	RFJUXNWKLRDZTO-UHFFFAOYSA-N	323.393	1.752	50	20	DDGD	
O=C(COC[C@H]1CCCO1)NNc1ccc(F)c([N+](=O)[O-])c1	771596319	WEUWCSOSXJKGDS-SNVBAGLBSA-N	313.285	1.373	50	20	DDGD	
COc1ccnc(NNC(=O)NCCCc2cccs2)n1	770285218	FEQNBCOSQFPXBL-UHFFFAOYSA-N	307.379	1.806	50	20	DDGD	
C[C@]1(CNC(=O)NC2CC3(CC(N)C3)C2)C[C@@H]1Br	1120665063	OCRJKWGGCBMGKN-DRSRQNCHSA-N	316.243	1.729	50	20	DDGD	
COc1ccc2c(c1)[C@@H](C(=O)NNC(=O)C1CCOCC1)CC2	883068866	KTZSVIGUWPYCNW-AWEZNQCLSA-N	318.373	1.299	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCSc1ccccc1	771869204	UZEXSMJOAMGDRP-LLVKDONJSA-N	324.402	1.658	50	20	DDGD	
Cc1[nH]c2ccc(C(=O)NNC(=O)C3CCOCC3)cc2c1C	883058940	GXZPRBOBUQJVRJ-UHFFFAOYSA-N	315.373	1.972	50	20	DDGD	
COc1ccc([C@@H](C)N[C@@H](C)C(=O)NNC(=O)CC(C)C)cc1	774850350	PIYUNWQWKAUZOE-OLZOCXBDSA-N	321.421	1.928	50	20	DDGD	
CCc1cnccc1[C@H](C)NC(=O)NNC(=O)c1cnn(C)c1	773756178	GVNPQLAQMUDSRO-JTQLQIEISA-N	316.365	1.083	50	20	DDGD	
Cc1cc(C(=O)NNc2ncc(F)cn2)nn1[C@@H](C)C1CC1	777427747	XCIUXOCLFRLFSX-VIFPVBQESA-N	304.329	1.849	50	20	DDGD	
O=C(NCCc1cnccn1)NNc1cccc([N+](=O)[O-])c1	775454776	LMSGTGBLZTWFGJ-UHFFFAOYSA-N	302.294	1.254	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)/C=C\c1ccc(OC)cc1	771892721	ZCIGTAOUDUSUCP-BRNRAETOSA-N	320.345	1.198	50	20	DDGD	
C[C@@H](C(=O)NNc1ccnc(Br)c1)c1cnn(C)c1	771533937	WVKBOINZTWTLSE-MRVPVSSYSA-N	324.182	1.824	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	779814016	ANNZPJBHSYUGSW-UHFFFAOYSA-N	324.337	1.353	50	20	DDGD	
N[C@H](c1cn(/C(Cl)=C\CBr)nn1)[C@H]1CCCO1	881311000	WCXNBWJJJGFFMK-GZAIIUCFSA-N	321.606	1.889	50	20	DDGD	
C[C@@]1(C(=O)N2CCO[C@@H]3COCC[C@@H]32)C[C@@H]1Br	888783017	HOIYMZCURRHQTO-MIZYBKAJSA-N	304.184	1.176	50	20	DDGD	
CC1CCN(C[C@H](C)C(=O)NNC(=S)NC2(C)CC2)CC1	789176288	ZEYYRKSJZZRIES-LBPRGKRZSA-N	312.483	1.402	50	20	DDGD	
C[C@@H](c1ccccc1)[C@H](O)CNS(=O)(=O)CCCCl	882418235	DBMJMHWTCBASTP-WCQYABFASA-N	305.827	1.699	50	20	DDGD	
COc1cc(C=NNC(=O)C(F)F)cc(Br)c1O	782238264	QJBYSAVIGLWZMO-UHFFFAOYSA-N	323.093	1.879	50	20	DDGD	
CN(NC(=O)Nc1cccc([C@]2(C)COC(=O)N2)c1)C1CC1	881101978	ZPRLTCKMSCUPSU-HNNXBMFYSA-N	304.350	1.772	50	20	DDGD	
Cn1cc([C@H]2CN(S(=O)(=O)CCCCl)CC2(C)C)cn1	882331795	NCAHEUWCNUYASJ-GFCCVEGCSA-N	319.858	1.804	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccc(F)c(F)c2F)cn1	784815138	PHBRLTSEZAJFJD-UHFFFAOYSA-N	324.262	1.889	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1cccc([N+](=O)[O-])c1	784796698	NDNZHDCFSVNGSP-UHFFFAOYSA-N	301.262	1.072	50	20	DDGD	
CC(C)(C)C(=O)N=c1cc[nH]cc1C=NNC(=O)NCC1CC1	783834465	WSNLYZYAMIMDKJ-UHFFFAOYSA-N	317.393	1.531	50	20	DDGD	
Cc1nn(C)c(C)c1C(=NNC(=O)C(C)(C)O)C(F)(F)F	785463130	LWCJARVHJQPHFZ-UHFFFAOYSA-N	306.288	1.190	50	20	DDGD	
COCC[C@H](Cc1ccco1)NC(=O)NNc1ccccn1	784466945	NAVNVQPWINCVPF-GFCCVEGCSA-N	304.350	1.949	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CC[C@H]1CC[C@@H](C)O1	788165247	YDFJUTYAKIBXNA-VXGBXAGGSA-N	316.398	1.271	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CCc2cn[nH]c2)c(C)c1	899937739	RTYLMRXEAOSONT-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
CCN1C[C@@H](C)N(C(=O)NNC(=O)c2cccc(C)n2)C[C@H]1C	793229368	YKPFKLIYFRRXHV-CHWSQXEVSA-N	319.409	1.159	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1c[nH]nc1-c1ccsc1	798304570	BDNPCRPAWJGKMD-UHFFFAOYSA-N	307.404	1.433	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc(C#N)c2)cc1C#N	799332547	HXYOULAHDMXMSE-UHFFFAOYSA-N	304.309	1.813	50	20	DDGD	
CCOC(=O)c1nn(C)cc1/C=C(\C#N)C(=O)C1CCOCC1	792904372	FUKWGGPLLUEDOY-XYOKQWHBSA-N	317.345	1.499	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1cc(C)c(C)o1	799881893	ZWUTYVLTSDFECW-UHFFFAOYSA-N	300.318	1.770	50	20	DDGD	
COc1cccnc1CC(=O)NNC(=O)c1cccc(Cl)c1	798150530	RVIIHJNGQBXFSC-UHFFFAOYSA-N	319.748	1.747	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)OC	790115157	ZECFKFGSCNKUOU-RQYMUSGFSA-N	322.405	1.549	50	20	DDGD	
CCN1CCC(CNC(=O)NNc2nc3ccccn3n2)CC1	790281686	JMFOLMWBFPWCIQ-UHFFFAOYSA-N	317.397	1.087	50	20	DDGD	
COCc1cc(C=NNC(=O)COCc2ccccc2)no1	794907795	AVLVZHRNVBKJLH-UHFFFAOYSA-N	303.318	1.488	50	20	DDGD	
Cc1noc([C@H]2CCCN2CCI)n1	796697457	XDLIJWTUOWHAEX-MRVPVSSYSA-N	307.135	1.950	50	20	DDGD	
O=C(NN=Cc1ccsc1Cl)N[C@@H]1CCS(=O)(=O)C1	790159848	MXQGDNZPGRGYPV-MRVPVSSYSA-N	321.811	1.222	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccn(C2CCCC2)n1	798315895	FRJYFHSTOLOUKO-UHFFFAOYSA-N	319.287	1.505	50	20	DDGD	
COCCOc1ccc(C(=O)NNC(=S)NC(C)C)cc1	1318480034	GVKFIDMTPBFXKS-UHFFFAOYSA-N	311.407	1.229	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)c2ccccc2Cl)CCOC1	1318526071	LVAIFPZMRLVMLE-AWEZNQCLSA-N	311.769	1.711	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)c2cc(C(N)=O)n(C)c2)cc1	1321876103	SENBCLSYKZSWOS-UHFFFAOYSA-N	314.345	1.287	50	20	DDGD	
O=C(NCc1cccnn1)NNc1ccc2c(=O)[nH]ccc2c1	1323057229	KWDPRYFGVWSSEQ-UHFFFAOYSA-N	310.317	1.144	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)c2cncn2-c2ccccc2)nn1	1323391526	PIHNBPFOLPWYEP-UHFFFAOYSA-N	323.360	1.809	50	20	DDGD	
CC[C@](C)(CNC(=O)NNc1nncc(N)c1Cl)OC	1324650711	JLCXCRUTJKZEPS-LLVKDONJSA-N	302.766	1.153	50	20	DDGD	
CC(=NNC(=O)c1c[nH]nc1C)c1c(C)nc2sccn12	1328601532	KZZOCCKTUBZYPR-UHFFFAOYSA-N	302.363	1.890	50	20	DDGD	
Cn1cc(-c2ccc(NC(=O)NCC(Cl)Cl)nn2)cn1	1331802055	IVRKJTPGZQQTQG-UHFFFAOYSA-N	315.164	1.802	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)CO[C@H]1CCOC1	1261378109	OTQNBALAFKGCSF-VIFPVBQESA-N	314.773	1.502	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@@H](c1ccncc1)C1CC1	1340492879	XBCRLHWGPGSECY-CQSZACIVSA-N	318.377	1.290	50	20	DDGD	
O=C(NC[C@H]1CCCS(=O)(=O)C1)C1CCC(Cl)CC1	1263825370	VIFTYUQLKSECNG-VOMCLLRMSA-N	307.843	1.725	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1nn(C)c2ccccc12	1354301303	UNDTZOIRZPPACN-UHFFFAOYSA-N	324.431	1.639	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1F)c1cc(F)ccc1Br	1519346093	APQAIFSRHGQMHK-APPZFPTMSA-N	319.105	1.707	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)N[C@@H]1CC[C@H]2C[C@H]2C1	1606858327	QNLUQGBJYMGAMB-INTQDDNPSA-N	314.353	1.076	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@@H]1CN1C[C@@H](C(=O)O)C[C@H](c2cnn(C)c2)C1	1603354215	GNEZQTCCBYLWAV-JZKMBYMZSA-N	311.813	1.784	50	20	DDGD	
C[C@H](C(=O)O)C(=O)NNC(=O)c1cc2ccccc2cc1O	1602805023	MRRVPGLAHGHVGT-QMMMGPOBSA-N	302.286	1.027	50	20	DDGD	
O=C(COCC1CCCC1)NNc1ccc(-c2nn[nH]n2)cc1	1606566264	GRFCAVSZFJOOIO-UHFFFAOYSA-N	316.365	1.517	50	20	DDGD	
Cc1c(NNC(=O)c2ccn(C)c(=O)c2)cccc1C(=O)O	1600054212	NZUFRYDMGWTVIZ-UHFFFAOYSA-N	301.302	1.149	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CCN2C2CCCC2)c(F)c1	1602385580	YAEDYCFBZIZNLS-AWEZNQCLSA-N	321.352	1.984	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1	1605355816	RTTQGQBGWLSAIK-OLZOCXBDSA-N	319.361	1.121	50	20	DDGD	
CO[C@](C)(C(=O)NNc1cccc(-c2nn[nH]n2)c1)C1CC1	1604995782	PZAZVOGQUGAFBV-AWEZNQCLSA-N	302.338	1.125	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NN=Cc2ccccc2O[C@@H](C)C(=O)O)O1	1604444040	WJSAYGUJPMJDLB-MJVIPROJSA-N	320.345	1.556	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1cc(O)cc(C(F)(F)F)c1	1608754499	JICGVSWFGLTPKO-UHFFFAOYSA-N	305.212	1.129	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NC[C@@H](CC1CC1)C(=O)O	1601045772	JEXXDETZBZXRKW-WTWVRAIASA-N	314.341	1.916	50	20	DDGD	
C/C=C(/C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2	1801615464	HONYVDUUXDGNEI-YWWONAAHSA-N	314.813	1.191	50	20	DDGD	
Cc1ccc(NNC(=O)c2n[nH]c3c2CCC3)cc1C(=O)O	1610510171	YPKQZBVPGAVJCS-UHFFFAOYSA-N	300.318	1.662	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C(=O)NN=Cc1nccs1	1549308890	GFNBVHSPBDRYSM-CMPLNLGQSA-N	319.390	1.495	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C[C@@H]1CNc2ccccc21	1576904855	YKNNXIWTZXHEJM-QJPTWQEYSA-N	303.362	1.158	50	20	DDGD	
COC[C@@]1(C(=O)NNc2nc3ccccc3n2C)CCCCN1	1578976565	BMYWKRNBKYKARX-MRXNPFEDSA-N	317.393	1.175	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H](N)c1ccc(F)cc1F	1577462125	VBMZQFLCZWSSRT-LLVKDONJSA-N	300.309	1.095	50	20	DDGD	
O=C(C[C@@H]1CCNc2ccccc21)NNC(=O)c1ccncc1	1580511652	WHUROMGYUUSQIN-ZDUSSCGKSA-N	310.357	1.832	50	20	DDGD	
CC(C)[C@H](C(=O)O)C(=O)NNC(=O)C(C)(C)c1ccccc1	1588807392	CPPRDFUHWVMLHB-LBPRGKRZSA-N	306.362	1.468	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2ccc(CC(=O)O)cc2)CCO1	1594256980	BKTNKAOEXBRMTH-GXFFZTMASA-N	307.350	1.507	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1c(F)cncc1F	1593164656	HAROBVOHJBZAOZ-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(C(=O)O)c2ccccc2c1	1599143168	OBISHGMLAARIAQ-UHFFFAOYSA-N	317.301	1.337	50	20	DDGD	
CC[C@](C)(NS(=O)(=O)c1ccc(CCCl)cc1)C(=O)O	1594853693	GSNATCHRVZNMCV-ZDUSSCGKSA-N	319.810	2.000	50	20	DDGD	
COC1([C@H](C)NC(=O)NNc2ccc(CC(=O)O)cc2)CCC1	1599083939	RGWWNKJHMXNYQE-NSHDSACASA-N	321.377	1.897	50	20	DDGD	
CCc1n[nH]c(=O)c(C(=O)NNc2cccc(C#N)c2)c1CC	152554115	CPVXQYDDGAQUCG-UHFFFAOYSA-N	311.345	1.523	50	20	DDGD	
C[C@@H](CBr)CN(C)CCCc1n[nH]c(N)c1C#N	152741302	UGFJSZOZEBWYFX-VIFPVBQESA-N	314.231	1.759	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)c3ccnnc3)cc2C1	153759497	WMNXROQYHDNTBU-SECBINFHSA-N	316.386	1.738	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNc1nccc(N(CC)CC)n1	155754211	WTPYQJMORFLKMO-GFCCVEGCSA-N	307.398	1.747	50	20	DDGD	
CSCCNC(=S)NNC(=O)Cc1cccc(F)c1	154070115	GIVRMVNNKHVHPS-UHFFFAOYSA-N	301.412	1.227	50	20	DDGD	
CNC(=O)NNC(=O)c1cccc(CSc2nccn2C)c1	156616107	OHEKKZAKHGHOEH-UHFFFAOYSA-N	319.390	1.286	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NNc2ncccn2)C1	159622141	MUOCXLLMANYIBQ-VXGBXAGGSA-N	305.382	1.204	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NNc2cnccn2)C1	114882391	QRJOKPYJYKRHSO-NWDGAFQWSA-N	305.382	1.204	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC2CCCCC2)c(OC)c1	58175946	VADAZMXPUMPGCC-UHFFFAOYSA-N	321.377	1.981	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(C)c(F)c2)o1	176687726	ZBOKKTWOTXIXNQ-UHFFFAOYSA-N	312.322	1.659	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1Cc1ccccc1)NC1CC1	69008413	XVHMJJVCIHUARH-AWEZNQCLSA-N	302.378	1.144	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N[C@H](C)CCOC)c1ccccc1	111485145	BVBOCNOUEZYDTN-TZMCWYRMSA-N	307.394	1.936	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H](C)c2cnn(C)c2C)n1	175317827	GLENMYZAISHOSX-SECBINFHSA-N	319.369	1.223	50	20	DDGD	
CCn1cnnc1CNC(=O)NNc1cc(F)c(F)cc1F	115801324	MSAWYAJULHHTPE-UHFFFAOYSA-N	314.271	1.542	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cccn1C)c1ccccc1	65858207	OOPGHMGUPPLCNW-UHFFFAOYSA-N	300.362	1.313	50	20	DDGD	
CCn1c(NNC(=O)[C@H](C)CSC)nc2ccccc2c1=O	66821009	LWQCNMUMBUVAOC-SNVBAGLBSA-N	320.418	1.859	50	20	DDGD	
Cc1nn(C)c2sc(C(=O)NNC(=O)NCC3CC3)cc12	68455698	KOVCDOXIFOKMMR-UHFFFAOYSA-N	307.379	1.297	50	20	DDGD	
COc1ccnc(NNC(=O)NCCc2ccc(C)nc2)n1	111887185	DMBSHHQOOGZRET-UHFFFAOYSA-N	302.338	1.057	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNc1cccnn1)c1cccnc1	175468167	ZDJBLGTUTOTJQZ-ZDUSSCGKSA-N	300.366	1.938	50	20	DDGD	
CCC[C@H](C)N1C[C@@H](C(=O)NNC(=O)c2ccc(C)o2)CC1=O	176213586	RTOZTYZLXAXSNG-JQWIXIFHSA-N	321.377	1.386	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1coc2cc3c(cc12)CCC3	65191160	LIGJILMIENOLNZ-UHFFFAOYSA-N	301.346	1.814	50	20	DDGD	
COCCCNC(=O)NNC(=S)Nc1ccc(C)cc1C	64937368	WRRZCOOZFBDNOR-UHFFFAOYSA-N	310.423	1.841	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)c1ccc(C)s1)c1ccco1	175759656	JSRKASHOLJRYCQ-SNVBAGLBSA-N	323.374	1.981	50	20	DDGD	
Cc1cc(C)n2nc(C(=O)NNc3ccc(F)cc3F)nc2n1	122425316	NQZGYXGVUWSYBK-UHFFFAOYSA-N	318.287	1.776	50	20	DDGD	
CCC(=O)N1CCC(=NNC(=O)c2ccc3c(c2)OCO3)CC1	64306036	NHAARGVWCOROJO-UHFFFAOYSA-N	317.345	1.534	50	20	DDGD	
COc1ccc(F)cc1CC(=O)NNC(=O)c1ccc(C)o1	186675723	NUFJBGUHNSWBIV-UHFFFAOYSA-N	306.293	1.739	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc(OC(F)F)n(C)n2)n1	184317473	OOBDVKYSBYHBAC-UHFFFAOYSA-N	312.280	1.185	50	20	DDGD	
COCCCOCC(=O)NNc1ccccc1Br	181479241	LSWUELTWQIUIRL-UHFFFAOYSA-N	317.183	1.945	50	20	DDGD	
CCc1c(C(=O)NNC(=O)OC)cnn1-c1ccccc1C	184419034	FWFKCLSIKBJNNU-UHFFFAOYSA-N	302.334	1.744	50	20	DDGD	
CC(=O)N[C@@H](C)C(=O)NNc1ccc(OCC(F)(F)F)cc1	124641775	MOIKQUCNRMEVEI-QMMMGPOBSA-N	319.283	1.595	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cccc(F)c1C#N	189230865	XHSOQVFEPRYDID-UHFFFAOYSA-N	312.395	1.169	50	20	DDGD	
C[C@H](C#N)CNC(=O)NNC(=O)c1cccc(OC(F)F)c1	182867908	UIBYIVOUSQXKTM-MRVPVSSYSA-N	312.276	1.392	50	20	DDGD	
CC(C)C[C@@H](C)CC(=O)NNC(=O)CNC(=O)c1cccnc1	122293125	MLWJJJKGLGXZEG-GFCCVEGCSA-N	320.393	1.031	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@H](C)CN1CCCC1=O	185204617	AAZQILAQIKKMLT-LLVKDONJSA-N	308.357	1.771	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2c[nH]nc2C2CC2)c(O)c1	187298089	BSYCDCKUXLERPG-UHFFFAOYSA-N	300.318	1.376	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccccc1-c1ccccc1C#N	75653750	QLBYUNUPUXLAFI-UHFFFAOYSA-N	322.368	1.548	50	20	DDGD	
CN(C)C(=O)NNC(=O)Cc1cc(Br)ccc1F	137431560	OUHDEERNQHXIQI-UHFFFAOYSA-N	318.146	1.433	50	20	DDGD	
Cc1cn(-c2ccccc2)nc1C(=O)NNC(=O)C(C)(C)C	184550390	ZUSNGVXRPCHXGI-UHFFFAOYSA-N	300.362	1.988	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(F)cc1Br	48646928	QFHIDYYEAFPKPL-UHFFFAOYSA-N	304.119	1.552	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(-c2ccccc2)[nH]n1	131757638	MEZCATNEDJZNFF-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1ccc(F)c(F)c1F	182737081	XGSJKOXPJDFXMC-UHFFFAOYSA-N	312.251	1.909	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1ccc2c(c1)CCCC2	77708824	CPLXXAWCOMWZGN-UHFFFAOYSA-N	310.419	1.921	50	20	DDGD	
COCCOc1cccc(C(=O)NNC(=O)c2ccc(C)o2)c1	84291581	IXUSBLULJHAHHT-UHFFFAOYSA-N	318.329	1.688	50	20	DDGD	
O=C(CCOc1ccccc1)NNS(=O)(=O)c1ccccc1	48090596	RVDFXZFASYXLQR-UHFFFAOYSA-N	320.370	1.465	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccccc1F)NC1CCCCC1	192734598	HQHVODRIEUAHJM-UHFFFAOYSA-N	315.370	1.651	50	20	DDGD	
Cc1nc(CNC(=O)NNC(=O)c2ccccc2O)sc1C	80589555	IUEZOOPZOXQOSM-UHFFFAOYSA-N	320.374	1.610	50	20	DDGD	
COCCN(C)c1ccc(/C=C(\C#N)C(N)=C(C#N)C#N)cn1	190246356	JBRQTHGRJWCTGZ-NTUHNPAUSA-N	308.345	1.331	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CSCC(F)(F)F)cc1	90371907	XAGVLQSHXXQWQR-UHFFFAOYSA-N	317.292	1.615	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cc(-c2ccncc2)on1	193473487	NORRZBMRGBIUTH-UHFFFAOYSA-N	304.306	1.906	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@H](C)c1cnn(C)c1	266598600	ZTTKRSAFCDBTOH-LLVKDONJSA-N	316.365	1.825	50	20	DDGD	
NC1(C(=O)NNc2nc(-c3cccnc3)no2)CCCCC1	269247738	MUSNISCFRYANMT-UHFFFAOYSA-N	302.338	1.236	50	20	DDGD	
COCCC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	266489014	AXPLDYQQKOSKJY-UHFFFAOYSA-N	303.265	1.477	50	20	DDGD	
C[C@H](O)CC(C)(C)CNC(=O)NNC(=O)c1ccccc1O	266884744	SSRGJBHOLSMVLZ-JTQLQIEISA-N	309.366	1.133	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1cc(C(F)(F)F)cnc1O	272797475	HAMXBLDRCNAWGS-UHFFFAOYSA-N	318.255	1.759	50	20	DDGD	
CCC1(C(=O)NNC(=O)c2ccc(Cl)nc2)CCOCC1	272194069	NCTCOKPRDXTQPV-UHFFFAOYSA-N	311.769	1.703	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C2(Cc3ccc(F)cc3)CC2)cn1	275497024	QHOKKVUYMAHKKS-UHFFFAOYSA-N	316.336	1.343	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C	276062274	RBYZWWXCHWGMKY-UHFFFAOYSA-N	309.326	1.909	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CC[C@@H]2CCCCO2)nc1	270368122	LAEVMZUORQZEHU-LBPRGKRZSA-N	307.350	1.661	50	20	DDGD	
Cc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)NC1CCCC1	278129191	MIYVNDKJXHUXIB-UHFFFAOYSA-N	306.322	1.790	50	20	DDGD	
COCCCn1ccc(NC(=O)NNC(=O)c2ccc(C)o2)n1	273605123	TUYWTOJUTMIRSQ-UHFFFAOYSA-N	321.337	1.288	50	20	DDGD	
Cc1cc(N2CCOCC2)ccc1NC(=O)NNC(=O)C1CC1	273252703	WPAXQPMTGFBGSC-UHFFFAOYSA-N	318.377	1.394	50	20	DDGD	
Cc1ccc(C(F)(F)C(=O)NNC(=O)N2CCOCC2)cc1	272859400	UPUJVFALODIAJM-UHFFFAOYSA-N	313.304	1.160	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@H]2CCCCS2)cc1	273040646	GCNOHOFLQOQPOV-CYBMUJFWSA-N	323.418	1.540	50	20	DDGD	
CCn1cnnc1-c1ccccc1NC(=O)NNC(=O)C1CC1	274069446	FLLYBRALIMAUGS-UHFFFAOYSA-N	314.349	1.528	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)c2cccc(C)n2)C[C@H](C)O1	279580390	BMCLERXPLGPFGZ-RYUDHWBXSA-N	306.366	1.244	50	20	DDGD	
CCC[C@@](C)(CC)C(=O)NNC(=O)CNC(=O)c1cccnc1	281531894	REBODCGUDGPJSB-MRXNPFEDSA-N	320.393	1.175	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)cc1	282638093	KEWLINQBDWYLPG-SLEUVZQESA-N	306.362	1.335	50	20	DDGD	
CC(C)(C)[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccnc1F	288276440	VOJVTQYKKQULJT-ONGXEEELSA-N	309.341	1.433	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CCC2(C)C)cc1	288069971	QTZPQIUWODDCBP-ZDUSSCGKSA-N	305.378	1.893	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H](OC)C1CC1	280887586	ZUBQJDVWJASOSE-LBPRGKRZSA-N	309.391	1.438	50	20	DDGD	
COc1ccc(CCC(=O)NNc2ccncn2)cc1OC	295412798	IBMVGOWSGLWKJH-UHFFFAOYSA-N	302.334	1.570	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2nccnc2C2CCC2)CC1=O	805462322	GHFHEFPAUJJGBB-LLVKDONJSA-N	303.366	1.056	50	20	DDGD	
O=C(CCn1cc(Cl)cn1)NNC(=O)NC1CCCCC1	298867323	TZYOPVJBPJQPDL-UHFFFAOYSA-N	313.789	1.590	50	20	DDGD	
Cn1cc(-c2n[nH]cc2C(=O)NNc2ncccc2F)cn1	804215995	MTPLQSTXLPELJI-UHFFFAOYSA-N	301.285	1.101	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNc1ncc(F)cc1F	296900101	JGMDOYMADWSDGC-UHFFFAOYSA-N	300.309	1.452	50	20	DDGD	
CCc1ccc(C#CC(=O)NNC(=O)NCC(F)(F)F)cc1	293632675	NIHGGKMQVKTVNP-UHFFFAOYSA-N	313.279	1.493	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2ccnc(F)c2)cn1C1CC1	807216158	NLPREKPEZOJFTN-UHFFFAOYSA-N	302.309	1.783	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2oc(C(C)C)nc2C)n1	293205350	LYRKAPWEJUNYET-UHFFFAOYSA-N	305.338	1.970	50	20	DDGD	
CC[C@H](OC1CCCC1)C(=O)NNC(=O)N=c1cc[nH]cc1	802027400	FVSMHARLIMXRAC-ZDUSSCGKSA-N	306.366	1.394	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NN=c1cc[nH]c2ccccc12	809670139	JEHDKXXGDVFGLF-LLVKDONJSA-N	301.346	1.689	50	20	DDGD	
COC(=O)NNC(=O)[C@H](NC(=O)c1ccc(C)cc1)C(C)C	298296698	IKFWRQUCHOOSKF-GFCCVEGCSA-N	307.350	1.137	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(Br)cc1O	293748702	XYCMIRDJMIBHGP-UHFFFAOYSA-N	303.156	1.378	50	20	DDGD	
C[C@H](Sc1ccccn1)C(=O)NNC(=O)[C@H]1CCCCO1	295591015	PECMYVIWRNKICQ-WDEREUQCSA-N	309.391	1.279	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccccc1CN1CCOCC1	294173259	NWAKVNATVRNTPO-UHFFFAOYSA-N	317.389	1.080	50	20	DDGD	
CCc1nc(C)c(CNC(=O)NNC(=O)c2ccccc2O)o1	293851595	XHOILVSMTAMYBK-UHFFFAOYSA-N	318.333	1.395	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1cn(Cc2cccs2)nn1	804771327	RLACABZWIXALCN-UHFFFAOYSA-N	318.337	1.679	50	20	DDGD	
COC(=O)C(=O)CCCOC(=O)[C@@H](Br)C(C)(C)C	803438047	ARJBHOZKHLGXIX-SECBINFHSA-N	323.183	1.862	50	20	DDGD	
COC(=O)c1cccc(CC(=O)NNc2cccc(F)n2)c1	804773466	KXCIGBLREPQPNO-UHFFFAOYSA-N	303.293	1.693	50	20	DDGD	
CSSCCNC(=O)NC[C@@H]1CCCS(=O)(=O)C1	805472162	ANBRLRTUXNLNDN-VIFPVBQESA-N	312.482	1.122	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2ccnn2C)c(Cl)c1	802049576	DLQKNANRSNMBDM-UHFFFAOYSA-N	307.741	1.848	50	20	DDGD	
CC[C@H]1CN(CC(=O)NNC(=O)c2ccccc2)C[C@H](CC)O1	817280505	IEROMKUNWMNPMU-GJZGRUSLSA-N	319.405	1.337	50	20	DDGD	
Cc1c(C(=O)NNc2ccc(F)cc2)nnn1-c1ccn(C)n1	814426147	NAMBDRLMNHIDGU-UHFFFAOYSA-N	315.312	1.205	50	20	DDGD	
COc1cc(C=NNC(=O)Cc2cc[nH]n2)ccc1OC(F)F	814956103	KELIINNLNNXKQZ-UHFFFAOYSA-N	324.287	1.713	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1cccc(-n2cnnn2)c1	817011078	FETJEAXQOIZQGA-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
CNC(=O)c1cccc(NC(=O)NNc2ncncc2F)c1	814516427	MEQHNXIQBWQCSQ-UHFFFAOYSA-N	304.285	1.124	50	20	DDGD	
COc1ccc(Cn2cc(C(=O)NN(C)C3CC3)cn2)cc1	819646805	FVFMKTNIYQBAIF-UHFFFAOYSA-N	300.362	1.679	50	20	DDGD	
COC(=O)c1ccccc1CCC(=O)NNC(=O)CC1CC1	819103900	COGBHKPBJKAHTE-UHFFFAOYSA-N	304.346	1.353	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cccc(F)c1C	817557568	IXZKHJVMRAADQU-UHFFFAOYSA-N	301.412	1.606	50	20	DDGD	
CO[C@H]1CCC[C@H](C(=O)NNC(=O)COc2ccc(F)cc2)C1	814365171	AQCYWAFVDPYSSD-FZMZJTMJSA-N	324.352	1.557	50	20	DDGD	
CC(=NNC(=O)Cc1ccncc1)c1cn(-c2ccccc2)nn1	814862685	PTSHWPQOGGDMQC-UHFFFAOYSA-N	320.356	1.745	50	20	DDGD	
COc1cnc(C(=O)NNC(=O)c2ccc3ccccc3n2)nc1	814681818	AYMDROFKRIJJDD-UHFFFAOYSA-N	323.312	1.108	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CCc2cncs2)c1	814363433	LIFUAHSBFGWEKL-UHFFFAOYSA-N	319.386	1.611	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC(=NNC(=O)c2cnccn2)CC1	490966797	NIHYRAQCGQUMIG-UHFFFAOYSA-N	319.365	1.593	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)NNc1cc(C)ccn1)C2	496054060	UPHZTLDWBOLSJJ-XQQFMLRXSA-N	316.361	1.476	50	20	DDGD	
CC(C)[C@@](C)(O)C(=O)NNC(=S)NCCc1cccs1	820171287	LARUUBJGTGZNPZ-CYBMUJFWSA-N	315.464	1.193	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)C1CN(C(=O)OC(C)(C)C)C1	492290422	PTISNPWEALQJFC-UHFFFAOYSA-N	319.365	1.449	50	20	DDGD	
CCN(CCO)NC(=O)CCOc1ccc(F)c(Cl)c1	823847572	XZNQWSSMVLKSJC-UHFFFAOYSA-N	304.749	1.593	50	20	DDGD	
CCN(CCO)NC(=O)CCc1ccc(Br)cc1	823864929	FELUCMMHYJZSHS-UHFFFAOYSA-N	315.211	1.727	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)C2CCOCC2)CCOc2ccccc21	829558003	VBYDWWQPVIKKKK-QGZVFWFLSA-N	318.373	1.301	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccccc1	827259208	HQZWGDKBLSFOFP-BNOWGMLFSA-N	301.346	1.116	50	20	DDGD	
NC(=O)c1ccc(NC(=S)NNC(=O)NC2CCCC2)cc1	726483964	YCTVDFMRPXLYPG-UHFFFAOYSA-N	321.406	1.229	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@@H]1CCC[C@@H]1Cc1ccccc1	829100027	HHXIMBYXOWAXJU-HZPDHXFCSA-N	317.433	1.791	50	20	DDGD	
CCn1c(C)cc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)c1C	728226619	VEUCWEAQEQAWFB-LBPRGKRZSA-N	311.407	1.010	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)NCc2ccco2)c1C(F)F	727374298	ZRZXLPHKOMTJLJ-UHFFFAOYSA-N	313.264	1.095	50	20	DDGD	
CCS(=O)(=O)Nc1ccc(C(C)=NN(C)C(=O)OC)cc1	495677272	NCVUZONABLYFGH-UHFFFAOYSA-N	313.379	1.870	50	20	DDGD	
C[C@]1(C(=O)NNc2cc(C(F)(F)F)ccc2F)CCNC1=O	821292132	ZZCWFBOSKSOWSU-LBPRGKRZSA-N	319.258	1.814	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(C#N)c(Br)c1	496235904	HZAGVHQSRAANAW-UHFFFAOYSA-N	313.111	1.713	50	20	DDGD	
Cc1cn2ccc(C(=O)NNC(=S)NCC3CCC3)cc2n1	824327957	NCAZZCJTICEUCF-UHFFFAOYSA-N	317.418	1.552	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@@H](Cc2ccccc2)C1	827883672	MLUZYOCTULTHBK-HNNXBMFYSA-N	303.406	1.354	50	20	DDGD	
CNC(=O)/C(C#N)=C/c1c(C)nn(-c2ccccn2)c1Cl	490942159	NDAOYCWFTUIWKE-JXMROGBWSA-N	301.737	1.882	50	20	DDGD	
COCCCCN(C)C(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	491160129	KHEIGYUBTAEWHT-OQLLNIDSSA-N	314.389	1.997	50	20	DDGD	
C[C@H](CNCc1ccccc1B(O)O)Oc1ccccc1Cl	585025041	KMRHSYURRNCVDY-GFCCVEGCSA-N	319.597	1.577	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(c2cccc(F)n2)CC1	491007042	FGKHSPFCDNSEHM-QXMHVHEDSA-N	304.325	1.313	50	20	DDGD	
O=C(N[C@@H]1CCC[C@@H]2CCCC[C@H]21)c1cccc(B(O)O)c1	584993351	QKRUAMCHBPIXMW-APHBMKBZSA-N	301.195	1.455	50	20	DDGD	
CC[C@@H](CNCc1ccc(B(O)O)o1)Oc1ccccc1F	585030598	HFCUKBVJZIAAHZ-NSHDSACASA-N	307.130	1.046	50	20	DDGD	
C[C@]1(C(=O)N2CCC3(CC2)COC(=O)N3)C[C@@H]1Br	907337599	SCDXFAOGDIYUBO-KWQFWETISA-N	317.183	1.261	50	20	DDGD	
CCCc1nc(C)c(NC(=O)c2ccc(B(O)O)cc2)s1	584978504	ZXVCCOKRQKBOOE-UHFFFAOYSA-N	304.180	1.336	50	20	DDGD	
CNC(=O)C1CCN(C(=O)[C@]2(C)C[C@@H]2Br)CC1	905575313	XEXXGBJIJJFSBR-JOYOIKCWSA-N	303.200	1.145	50	20	DDGD	
COc1cc(C#N)ccc1C(=O)NNC(=S)N[C@H](C)C1CC1	824446295	IVZFPMHPSBORIY-SECBINFHSA-N	318.402	1.474	50	20	DDGD	
OB(O)c1ccc(CNCCCSc2ccccc2)c(F)c1	585015017	LZLGYLVDKKMFMX-UHFFFAOYSA-N	319.210	1.778	50	20	DDGD	
CN(NC(=O)Nc1ccc(CCS(C)(=O)=O)cc1)C1CC1	824247632	UGZHGJOLIWNZMX-UHFFFAOYSA-N	311.407	1.404	50	20	DDGD	
O=C(/C=C\SCc1ccco1)NNC(=O)N=c1cc[nH]cc1	492860575	IGCKSYGGORNCAR-UITAMQMPSA-N	318.358	1.696	50	20	DDGD	
COC(=O)N(C)NC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C	496887948	YTSVMVODXPDTPZ-JTQLQIEISA-N	315.370	1.505	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)[C@@H]1CC(=O)N(C2CC2)C1	734551613	IDWVLJPXAXRWIS-SSDOTTSWSA-N	313.279	1.558	50	20	DDGD	
CCOC(=O)NNC(=S)NCCCN(C)c1ccccc1	490947153	KUJLIIKQYJMFFT-UHFFFAOYSA-N	310.423	1.638	50	20	DDGD	
CCOC(=O)NNC(=O)c1nc(C)sc1Br	497079833	JAVJBOIIOQSBOS-UHFFFAOYSA-N	308.157	1.605	50	20	DDGD	
O=C(NNC(=O)c1cc(O)nc2ccc(F)cc12)c1ccc[nH]1	737779035	WRFMBXDMLNNDFQ-UHFFFAOYSA-N	314.276	1.482	50	20	DDGD	
COc1ccc(C)cc1[C@@H](C)NCc1ccc(B(O)O)cc1F	585013945	CSYCGZOKYVSROP-GFCCVEGCSA-N	317.169	1.673	50	20	DDGD	
Cn1ncc(C2CC2)c1C(=O)NNc1cnc2ccccc2n1	832213824	WCQOHJVUHRFYDH-UHFFFAOYSA-N	308.345	1.998	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)OCc2nc(C(C)(C)C)no2)cn1	837969668	QDGVCAHOYCWABI-VZUCSPMQSA-N	315.333	1.751	50	20	DDGD	
O=C(CN1CCCCCC1=O)NN=c1cc[nH]c2ccccc12	730289449	WWGNYTSTNCDMOV-UHFFFAOYSA-N	312.373	1.502	50	20	DDGD	
C[C@H](OCc1ccccc1)C(=O)NNC(=O)[C@@H]1CCCCO1	833242870	PKAKVPNRKBZHOX-JSGCOSHPSA-N	306.362	1.308	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@@H]2CCCc3nn[nH]c32)c1	831543184	FARVQVLRHZRMGU-MRVPVSSYSA-N	317.740	1.288	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@@H]1CC[C@H](C(=O)O)C1	831077550	RTTQGQBGWLSAIK-QWHCGFSZSA-N	319.361	1.121	50	20	DDGD	
C[C@@]1(C(=O)N2CCC(CCC(N)=O)CC2)C[C@H]1Br	907191747	WSDNOZMMXGFROB-ZWNOBZJWSA-N	317.227	1.664	50	20	DDGD	
CC(C)[C@H](NCc1cccc(B(O)O)c1)c1nc2ccccc2[nH]1	585032363	FZZBKOGMQRVTDM-KRWDZBQOSA-N	323.205	1.730	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNC(=O)c1cc2c(s1)CCC2	738502794	LJJYQUJNCYZREM-JTQLQIEISA-N	311.407	1.606	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CN(C)C)cc1SC	839161972	TZIKBTUVJLXFFQ-UHFFFAOYSA-N	312.395	1.131	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1cccnc1)C(=O)c1ccccc1	732750632	XNPRTXJZCIYTGM-LBPRGKRZSA-N	311.341	1.752	50	20	DDGD	
C[C@@H]1CCc2c(F)cccc2[C@@H]1NCc1cccc(B(O)O)c1	585026650	PTZPNOHRHDSLRA-KZULUSFZSA-N	313.181	1.919	50	20	DDGD	
O=C(Cc1cccc(C2CC2)c1)NNC(=O)[C@@H]1CCCCO1	839781330	MANHNWDWEDSDFU-HNNXBMFYSA-N	302.374	1.823	50	20	DDGD	
CC[C@H](COC)NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	738503626	SCVCSBJHSQYMKS-DLUQRMLASA-N	323.437	1.958	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ncncc2Cl)[C@H]2CCCC[C@H]2N1	832672964	YIRAZSCOIIYDFC-WCABBAIRSA-N	323.784	1.268	50	20	DDGD	
O=C(NC[C@@H]1CCC[C@@H]1c1ccccc1)c1ccc(B(O)O)cc1	584994621	BXTKCGOCPMLFKR-FUHWJXTLSA-N	323.201	1.680	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)Cc2nc3ccccc3n2C)c2nccn21	834926190	JPGHNSUZOIQTIN-LLVKDONJSA-N	322.372	1.798	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836359368	YFWJPGSOHFTIKV-UHFFFAOYSA-N	318.333	1.555	50	20	DDGD	
COc1cc(OC)cc(OCCCNS(=O)(=O)CCl)c1	830822771	JWIGBFSQNJXJFM-UHFFFAOYSA-N	323.798	1.588	50	20	DDGD	
O=S(=O)(CCl)N1CCO[C@H](c2ccc(F)c(F)c2)C1	830361347	JMLGGVAKVBORCU-NSHDSACASA-N	311.737	1.864	50	20	DDGD	
Cc1ccccc1C[C@H]1CCCN1CC(=O)NNC(=O)C1CC1	734149866	KNMUNOQIZZSDKW-MRXNPFEDSA-N	315.417	1.559	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)[C@H]1CCCCO1	833235518	FYXJYJJGYKJQPK-SDQBCYEZSA-N	316.401	1.097	50	20	DDGD	
CCn1ncc(C(=O)NN(C)C[C@@H](C)O)c1-c1ccccc1	910152389	KTSGWUNMKFAXRB-GFCCVEGCSA-N	302.378	1.527	50	20	DDGD	
CC[C@@H](C)[C@H](C=NNC(=O)CNC(=O)c1cccs1)OC	834952052	KHLDGSGDPSRPTA-MNOVXSKESA-N	311.407	1.641	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNc1cc(O)nc2ncccc12	913988508	YUSAEYWREDXYGL-LBPRGKRZSA-N	304.350	1.840	50	20	DDGD	
O=C(NN=Cc1c[nH]nc1-c1cccnc1)c1ccccc1O	839384717	RNOOWMNHTZDFCU-UHFFFAOYSA-N	307.313	1.941	50	20	DDGD	
CCC(=O)Nc1cccc(C(=O)NNC(=S)NC(C)(C)C)c1	918690174	LXSGHMNHTYTJKD-UHFFFAOYSA-N	322.434	1.943	50	20	DDGD	
COCC1(C(=O)NNc2cc(O)nc3ncccc23)CCC1	913990017	XFSFGOJPBKUDRT-UHFFFAOYSA-N	302.334	1.595	50	20	DDGD	
Cc1cc(C(=O)NN(C)C[C@@H](C)O)nn1-c1ccc(Cl)cc1	910152189	MHUIXBAWVLTFLS-LLVKDONJSA-N	322.796	1.792	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)N(C)C	748624263	VWYMLBWIUYTIAK-QMMMGPOBSA-N	300.284	1.970	50	20	DDGD	
CCCNCCNC(=O)NNC(=O)COc1ccc(C)c(C)c1	841961946	VBVCTPVNBDMYBU-UHFFFAOYSA-N	322.409	1.012	50	20	DDGD	
O=C(CCCn1cccn1)NNC(=O)c1cc(Cl)ccc1O	748831023	NFFZYDYQRQQREC-UHFFFAOYSA-N	322.752	1.484	50	20	DDGD	
CCc1ccc(C=NNC(=O)Cc2cc(O)nc(O)n2)s1	743446191	QOXPHOYGGFQMHP-UHFFFAOYSA-N	306.347	1.205	50	20	DDGD	
O=C(NNC(=O)c1cccc2ccccc12)N[C@H]1CCCNC1	841941290	KZXQCAIXEVOOQF-ZDUSSCGKSA-N	312.373	1.536	50	20	DDGD	
COc1cc(/C=C(\C#N)C(N)=C(C#N)C#N)ccc1OCC#N	916138011	BSOOWJIYKQJVDZ-WUXMJOGZSA-N	305.297	1.765	50	20	DDGD	
O=C(CNC(=O)C1CC1)NNC(=O)c1cccc2ccccc12	741696467	WHRKNZMVTBYBTH-UHFFFAOYSA-N	311.341	1.127	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCc2cccc(Cl)c2C1	841633872	NZUNSOULRFWUCH-UHFFFAOYSA-N	309.753	1.657	50	20	DDGD	
CC(C)[C@@H](N)CNC(=O)NNC(=O)c1c[nH]c2ccccc12	841943039	GFAJVKWWNUEOTF-LBPRGKRZSA-N	303.366	1.095	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@H](C)C1	747753657	LDHPECXDUMKFGS-OUAUKWLOSA-N	301.412	1.285	50	20	DDGD	
Cc1ccc(C2(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)CCC2)cc1	843656179	ABVRJTLMKFVOCA-DZGCQCFKSA-N	316.401	1.989	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@H]1CCc2n[nH]cc2C1	846641294	APTHXZQLRINGFP-VIFPVBQESA-N	304.325	1.806	50	20	DDGD	
CCN1CCC(=NNC(=O)Cn2cnc3ccccc32)[C@H](C)C1	741455907	NLRFDTQPTKSDIZ-CYBMUJFWSA-N	313.405	1.870	50	20	DDGD	
C[C@H]1CN(C[C@@H](C)C(=O)NN=Cc2ccc(C#N)o2)C[C@@H](C)O1	743429284	IVAFOCNGTCAYQV-UPJWGTAASA-N	318.377	1.347	50	20	DDGD	
CO[C@H](C=NNC(=O)c1cc(Cl)ccc1O)[C@@H]1CCOC1	841615827	AIZSEGGOWSIQHQ-NOZJJQNGSA-N	312.753	1.813	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNc1ccc(F)c([N+](=O)[O-])c1	842247064	DFJLTLMLAZJTCL-QMMMGPOBSA-N	313.285	1.766	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)c1nccn2ccnc12	743415407	ZMEIVDULWIKJKQ-UHFFFAOYSA-N	307.235	1.904	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)CSc1ccccc1[N+](=O)[O-]	844128477	GOBKNFSVKJWHHS-SECBINFHSA-N	311.363	1.880	50	20	DDGD	
Cc1ncc2n1C[C@@H](C(=O)NNC(=O)c1ccc(C#N)cc1)CC2	845342684	XPWBATMJUBXQJZ-AWEZNQCLSA-N	323.356	1.087	50	20	DDGD	
CCN(C)C(=O)CNC(=O)NNc1ccc(Cl)cc1F	922057236	GVWCPIBRGNCGGT-UHFFFAOYSA-N	302.737	1.584	50	20	DDGD	
O=C(NN=Cc1c[nH]nc1-c1ccccc1F)N1CCOCC1	755671345	DDMKXSAWDMIGCB-UHFFFAOYSA-N	317.324	1.592	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)CC(F)(F)F)C(C)(C)CN(C)C	754372975	KEKDWTQYILDPMC-MRVPVSSYSA-N	312.336	1.246	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccccc1-c1nncn1CC	756517745	ZMSPSCSVWAQGGB-UHFFFAOYSA-N	302.338	1.528	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCc2nc3c(s2)CCC3)cn1	927651275	HIMVEAAXAAYCAV-WZUFQYTHSA-N	313.386	1.589	50	20	DDGD	
Cc1nnc(NNC(=O)[C@]2(c3ccccc3)CC2(C)C)nc1O	856794984	ZBRCLGMLOJRVTG-MRXNPFEDSA-N	313.361	1.697	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2ccnc(N(C)C)c2)CN1C1CC1	753961609	YULMBHHNAXPXEZ-NSHDSACASA-N	301.394	1.490	50	20	DDGD	
CNC(=S)N(C)NC(=O)C(C)(C)Cc1ccccc1OC	854923716	GOULVCDGZJVCDY-UHFFFAOYSA-N	309.435	1.731	50	20	DDGD	
CSc1cccc(C(=O)NNC(=O)OCC(F)(F)F)n1	856026059	KTLIKPLEEZFNQJ-UHFFFAOYSA-N	309.269	1.737	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1	854284840	AHJRFVFZLRTBMO-RWMBFGLXSA-N	315.483	1.933	50	20	DDGD	
CCc1nn(C)c(CC)c1C=NNC(=O)Cn1nc(C)cc1C	755565920	PVXSQUZDJHACPO-UHFFFAOYSA-N	316.409	1.509	50	20	DDGD	
O=C(CCCc1nccs1)NNC(=S)NCC1CCC1	855089905	LPFRQUHPAMJBHM-UHFFFAOYSA-N	312.464	1.761	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc(-n3nnnc3C)cc2)n1	857435878	MJFOGLYXRVCWAC-UHFFFAOYSA-N	324.348	1.134	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc(C)cc1F	854282238	GUVJYRJWCBOHDB-UHFFFAOYSA-N	313.398	1.622	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(N(CC)C(C)=O)nc1	855350309	SNNUATVLFLJLNP-BENRWUELSA-N	302.334	1.837	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)n1	752265739	MBQSQLHBAHXXKB-UHFFFAOYSA-N	316.273	1.073	50	20	DDGD	
COC(=O)[C@H]1C[C@H](C)CCN1CCI	759436227	KTAIEQGFBNDOCV-RKDXNWHRSA-N	311.163	1.695	50	20	DDGD	
C[C@]1(CNc2cncc(-n3cncn3)n2)C[C@@H]1Br	856787652	ZGKVMUPMIMLODP-GZMMTYOYSA-N	309.171	1.643	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CN(C)[C@H]1CCSC1	757987817	GJTJPPJCNJFHBA-LBPRGKRZSA-N	307.419	1.193	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NCC2(N(C)C)CC2)ccc1F	922987361	FNADGDGBCZZIIC-UHFFFAOYSA-N	324.356	1.333	50	20	DDGD	
CC(C)C[C@H]1C(=O)NCCN1CCI	759509846	JGCJAYYFERTAEV-VIFPVBQESA-N	310.179	1.268	50	20	DDGD	
O=C(NN=Cc1cc(F)ccc1F)[C@@H]1CN2CCC[C@@H]2CO1	853388847	UJJKSSOITJHVOE-OCCSQVGLSA-N	309.316	1.278	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)[C@H](C)N1CCN(C)CC1	928340652	YEEFTTAWEBDADP-LBPRGKRZSA-N	310.829	1.727	50	20	DDGD	
C[C@]1(CNC(=O)N2CCO[C@@H](CF)C2)C[C@@H]1Br	856893809	QDKKWCJGKJYCDA-ATZCPNFKSA-N	309.179	1.540	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)CO1	853377991	NCRZRLTWSPNUDK-MPKXVKKWSA-N	306.366	1.169	50	20	DDGD	
CC1(N)CCN(C(=O)NC[C@]2(C)C[C@H]2Br)CC1	857105805	SBWVWGIQBAZCMZ-KOLCDFICSA-N	304.232	1.683	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1csc([C@@H]2CCCO2)n1	756128152	XHULDLYSJZRJMG-VIFPVBQESA-N	312.420	1.290	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCC2(N(C)C)CCCC2)c1	858272033	BGXHXNMXLZDFIB-UHFFFAOYSA-N	324.450	1.875	50	20	DDGD	
CCN(CC)C(=O)CNC(=O)NC[C@]1(C)C[C@H]1Br	856825656	ANESQILOCMFDJG-SKDRFNHKSA-N	320.231	1.328	50	20	DDGD	
CCO[C@H](CCNC(=O)NNC(=O)c1cn[nH]c1)C1CCCC1	858266301	CSNAUVSMDSMTMK-CYBMUJFWSA-N	323.397	1.339	50	20	DDGD	
CC(C)CCO[C@H](C)C(=O)NNC(=O)OCC(F)(F)F	856024474	WUOSJDVZJSNDJR-MRVPVSSYSA-N	300.277	1.757	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)c2cccc(C(=O)O)c2)c1C	853425537	GRYNXZLDEXEFHN-UHFFFAOYSA-N	314.345	1.982	50	20	DDGD	
CCN1C[C@H](NC(=O)NC[C@]2(C)C[C@H]2Br)CC1=O	856862051	QTYAYQKTPURQGL-LNLATYFQSA-N	318.215	1.080	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CN(C(C)C)C[C@H]2C)cc1	754258716	NEPLHANDJDMAKC-CYBMUJFWSA-N	316.405	1.766	50	20	DDGD	
CCCC[C@@H](CCC)CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1	858288501	IXOBRMDIGVIFDF-NEPJUHHUSA-N	312.414	1.202	50	20	DDGD	
Cc1n[nH]c(C)c1CCC(=O)NNC(=O)c1cccc(Cl)n1	857322472	BDEBBQQZSIDROU-UHFFFAOYSA-N	321.768	1.469	50	20	DDGD	
COC(=O)C1CCC(=NNC(=O)Cc2nc(C)cs2)CC1	754923832	QTVPAXMLAGXPPH-UHFFFAOYSA-N	309.391	1.829	50	20	DDGD	
CCOC(=O)c1ccc(CNC(=O)NNC(=O)C2CCCC2)o1	753339117	HJNRIDDFPNYEIX-UHFFFAOYSA-N	323.349	1.477	50	20	DDGD	
COc1ccc(OCC(=O)NN=C2CN(C(C)C)C[C@H]2C)cc1	754253131	AMKDUHBLYOWOOE-CYBMUJFWSA-N	319.405	1.906	50	20	DDGD	
CC(C)[C@H]1C[C@H](C(=O)NNc2nc3ccccn3n2)CCO1	935620313	GJPJJHUFIZULLH-VXGBXAGGSA-N	303.366	1.624	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H](O)[C@H]2CCCC[C@H]21)C1CCCC1	868539615	ZIPAXHDETCJLFX-MJBXVCDLSA-N	309.410	1.543	50	20	DDGD	
Cc1cc(C)c2c(c1)C(=NNC(=O)CS(C)(=O)=O)CCCO2	863187672	PHFHNDKRQBCHOS-UHFFFAOYSA-N	324.402	1.341	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)c1cnc2[nH]cnc2c1	764515131	YTNNFFLAZMRXNI-UHFFFAOYSA-N	321.296	1.779	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1sccc1Br	764899849	KDENTQFOWJRUIQ-UHFFFAOYSA-N	318.196	1.485	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@@H]2C)cc1	862123715	UYJBQBUBKOTGGU-YWDSYVAPSA-N	320.389	1.905	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cc(F)c(N(C)C)cc1F	863076209	KYJLBLACXYCNTR-UHFFFAOYSA-N	312.320	1.006	50	20	DDGD	
CCC/C=C/C(=O)NNc1c(OC)cccc1S(C)(=O)=O	768645089	MMTKZUNICZGITH-UXBLZVDNSA-N	312.391	1.898	50	20	DDGD	
COCCOCC(=O)NNC(=O)[C@H](C)c1ccc(Cl)s1	869909969	NFAJUILVXCSVJL-MRVPVSSYSA-N	320.798	1.315	50	20	DDGD	
COC(=O)[C@H]1CN(C(=O)[C@H](Br)C(C)(C)C)CCO1	767955862	PDKSTEVGBUURTO-BDAKNGLRSA-N	322.199	1.196	50	20	DDGD	
COCCCOc1ccc(C(=O)NNc2cccc(C)n2)cn1	862523508	HBSNDKFAFFRLAL-UHFFFAOYSA-N	316.361	1.957	50	20	DDGD	
COc1ccc(O)c(C(C)=NNC(=O)Cc2cc(C)[nH]n2)c1	767408109	VCNNKYZCQROXPU-UHFFFAOYSA-N	302.334	1.515	50	20	DDGD	
CCn1c(NNC(=O)Cc2ccco2)nc2ccccc2c1=O	764717491	QCUPMIOHJFTMFL-UHFFFAOYSA-N	312.329	1.695	50	20	DDGD	
COCCOc1ccc(C(C)=NNC(=O)COC)cc1OC	761825768	WUVJDQDZUSJLBY-UHFFFAOYSA-N	310.350	1.207	50	20	DDGD	
Cc1nocc1CNC(=O)NC[C@@]1(C)C[C@H]1Br	875757200	CYVZQIUUGTYACH-MWLCHTKSSA-N	302.172	1.956	50	20	DDGD	
O=C(CN1CCNCC1)NN(Cc1ccccc1)c1ccccc1	876547515	DAJDQRVASOIJGB-UHFFFAOYSA-N	324.428	1.630	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)Nc1cc2c(cn1)CCC2	879676678	IWHKGCHKKWGODJ-UHFFFAOYSA-N	304.350	1.150	50	20	DDGD	
O=C(NN=Cc1c[nH]c2cccc(F)c12)C(=O)N1CCCC1	763363264	PQOMRRFLHHJVCR-UHFFFAOYSA-N	302.309	1.380	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(OCCCN(C)C)cc1	878659356	BEJYRICJHXIZOX-UHFFFAOYSA-N	324.425	1.632	50	20	DDGD	
Cn1cc(C(=O)C(=O)NNc2ncccc2C(F)(F)F)cn1	1116116190	VLGYATLXEQIVBO-UHFFFAOYSA-N	313.239	1.160	50	20	DDGD	
OB(O)c1ccccc1CNCCCOc1ccccc1F	876902645	PELGATLBPXMFKY-UHFFFAOYSA-N	303.142	1.064	50	20	DDGD	
COCCOCC(=O)NN=C1CC(C)(C)Oc2ccsc21	872400260	QGSRXLGCDLFWBM-UHFFFAOYSA-N	312.391	1.793	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@]2(C)CCNC2=O)cc1	873793805	HDMAJQCIBAJLSJ-KRWDZBQOSA-N	317.389	1.271	50	20	DDGD	
COC(=O)Cc1occc1C(=O)NNC(=O)c1ccccc1	773690718	SGPUNRZGANLTSS-UHFFFAOYSA-N	302.286	1.070	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C)c(C)c1)c1cn(C)cn1	872329014	FQJFVAJLJBFFEP-UHFFFAOYSA-N	300.362	1.956	50	20	DDGD	
CC[C@@H](C)[C@H](NC(=O)NNC(=O)c1cnn(C)c1)C(F)(F)F	772525763	PIXNZKCADHQZOB-APPZFPTMSA-N	321.303	1.341	50	20	DDGD	
C#C[C@H](NC(=O)NNc1cc(F)c(F)c(F)c1)[C@H]1CCCO1	776225733	QNGRASNZYQVLOQ-NWDGAFQWSA-N	313.279	1.911	50	20	DDGD	
COc1ncccc1C(=O)NNc1cccc(S(C)(=O)=O)c1	776527472	MNUVPAYFXRMWKN-UHFFFAOYSA-N	321.358	1.251	50	20	DDGD	
CCOc1cccc([C@H](C)N[C@@H](C)C(=O)NNC(=O)CC)c1	775209575	CNFXNADWVIROOE-RYUDHWBXSA-N	307.394	1.682	50	20	DDGD	
Cc1ncc2c(n1)CCC[C@H]2NC(=O)NN=c1cc[nH]c(C)c1	875301988	IDSPUYHOKWNANL-OAHLLOKOSA-N	312.377	1.614	50	20	DDGD	
Cc1cccc(F)c1S(=O)(=O)NNC(=O)NCC1CC1	775276146	QOISIVRBGLCZPQ-UHFFFAOYSA-N	301.343	1.037	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NN=c2cc[nH]c(C)c2)[C@]12CCCO2	875489942	PVSDRPMDWNGELF-IIAWOOMASA-N	320.393	1.165	50	20	DDGD	
Cc1onc(CC(=O)NNC(=O)CCc2ccccc2)c1C#N	779509670	MHKMHRJMBNYPBL-UHFFFAOYSA-N	312.329	1.177	50	20	DDGD	
CCn1c(NNC(=O)C2(COC)CC2)nc2ccccc2c1=O	778564822	HJTWBKZZILVQGQ-UHFFFAOYSA-N	316.361	1.286	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccc(F)cc2)ccc1O	779490186	YJEKTAWSBVHSML-UHFFFAOYSA-N	318.304	1.680	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cccnc1OC	777773008	RGIZSRVQGRQIBA-UHFFFAOYSA-N	301.302	1.634	50	20	DDGD	
O=C(C1CCC(Cl)CC1)N1CCO[C@@H](Cn2ccnn2)C1	1123833981	VBKMZOBMQJVTPJ-WXRRBKDZSA-N	312.801	1.303	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCOCC2(CCCC2)C1	775848834	MRYXBHZPJBYLLW-UHFFFAOYSA-N	311.426	1.073	50	20	DDGD	
O=C(CNC(=O)c1cccc(O)c1)NNc1cccc(F)c1	779008667	XKDIRWDMADIZSU-UHFFFAOYSA-N	303.293	1.404	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N=S1(=O)CCOCC1	1120006055	UWPQLRZGDPRMPD-FMIVXFBMSA-N	308.334	1.757	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N1CC[C@H](CF)C1)c1ccccc1	883481910	GHOCRIDDFBWBDC-GFCCVEGCSA-N	307.369	1.996	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CN(C)[C@@H]1CCSC1	772868628	JJXQJVJWVYYISX-LLVKDONJSA-N	309.439	1.480	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C[C@H]1CCO[C@H](C(C)C)C1	781972051	OVWBGEDUOQXIEE-AAEUAGOBSA-N	308.382	1.320	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@H](CO)C[C@H]1CCCO1	885526007	XPSMVOGKMHOLIC-WDEREUQCSA-N	313.847	1.101	50	20	DDGD	
Cn1ccc2cccc(NC(=O)C(=O)NNc3ncccn3)c21	788333432	MKZOYEHNWCKYQI-UHFFFAOYSA-N	310.317	1.050	50	20	DDGD	
CCCCn1cc(C(=O)NNC(=O)C2CCOCC2)c(C)n1	883068014	FGDDUZJHJHJDJN-UHFFFAOYSA-N	308.382	1.179	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)c2ccc(C)c(O)c2)c1C	882052080	WMCFRICWLRPDIU-UHFFFAOYSA-N	302.334	1.300	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc2c(c1)OCCCO2	785834277	AECPINHKJYBBEE-UHFFFAOYSA-N	308.338	1.546	50	20	DDGD	
N#CC1=CCN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)CC1	780686636	DIONNBPDQBKSHF-ZJUUUORDSA-N	301.268	1.126	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cc(C2CC2)[nH]n1	780729813	QBKNJHHMCWOIQF-UHFFFAOYSA-N	300.318	1.831	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@@H]1CCCN1c1ncccn1	781819873	JPEDZTKHAPOKES-JTQLQIEISA-N	319.756	1.032	50	20	DDGD	
CCOC(=O)c1cc(NC(=O)NN=c2cc[nH]cc2)cn1C	782048761	BZLMECRZGAEJRM-UHFFFAOYSA-N	303.322	1.167	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1ccc(F)cc1[N+](=O)[O-]	783837461	LSZHONJLXGHRHG-UHFFFAOYSA-N	310.285	1.500	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2	785409505	DPNBFJJINOGQTF-ZYUZMQFOSA-N	321.299	1.083	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNc2ccccc2C(=O)OC)C1	780732658	WAQUQJQGDBROBZ-LLVKDONJSA-N	319.361	1.175	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCCn2ccnc2C)c1	780792207	FIVUGQYDSGCHEM-UHFFFAOYSA-N	316.361	1.902	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1c[nH]nc1-c1ccoc1	899995854	IIWPXIXOQDXRAC-UHFFFAOYSA-N	307.379	1.577	50	20	DDGD	
COc1ccc([C@H](NC(C)C)C(=O)NNC(=O)C(C)C)cc1	895509834	BBULESGKQZADRA-AWEZNQCLSA-N	307.394	1.538	50	20	DDGD	
C#Cc1ccc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])cn1	791075937	JWZKZQJUXROKGD-UHFFFAOYSA-N	300.249	1.867	50	20	DDGD	
C[C@H](NC(=O)[C@H](Br)C(C)(C)C)C(=O)N1CCCC1	799036627	LNQCCHNKYQODDM-UWVGGRQHSA-N	319.243	1.923	50	20	DDGD	
COc1cc(NNC(=O)[C@H](NC(C)=O)C(C)C)ccc1Cl	790177934	RGIKSLWBZOPLKW-CYBMUJFWSA-N	313.785	1.952	50	20	DDGD	
CC[C@H](OC1CCCC1)C(=O)NNC(=O)c1cccc(C)n1	794083464	IZOSETZSELMOAV-AWEZNQCLSA-N	305.378	1.889	50	20	DDGD	
CN(C)N(C(=O)[C@@H]1CCCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1	799863036	MVRFYZSSRSOVPA-GHMZBOCLSA-N	324.393	1.304	50	20	DDGD	
COC(=O)[C@H](C)N(C1CCC1)S(=O)(=O)CCCCCl	790907278	FCFRONSUAJZDDM-JTQLQIEISA-N	311.831	1.751	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=C1Cc2ccc(Cl)cc2C1	794460404	RSQUPUGAWIESGD-UHFFFAOYSA-O	300.769	1.899	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H]1CCN(CC(F)(F)F)C1	792083530	NUOLCOXNXOBGDB-VIFPVBQESA-N	310.320	1.001	50	20	DDGD	
CCCCN(C)CCNC(=O)NNc1nc2ccccn2n1	790352467	NNYKCZZERUCBLV-UHFFFAOYSA-N	305.386	1.087	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)c2cccc(C)n2)cc1	792761605	FLFVRMGEJKRSKH-UHFFFAOYSA-N	314.345	1.543	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ccnn1CC(F)F	790009088	AYKPOMDAJUBCOQ-UHFFFAOYSA-N	324.287	1.692	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)CCO)cc1Br	1319071679	DRJCWXUNQTZOMM-UHFFFAOYSA-N	315.167	1.680	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cnn(C)c1)c1ccc(F)cc1F	1319083947	AJIWIPDTBIFZPL-QMMMGPOBSA-N	308.288	1.263	50	20	DDGD	
N#Cc1ccc2c(c1)N(C(=O)C(=O)NNc1ccc(F)cc1)CC2	1320173242	IJLBLWHUACHKPG-UHFFFAOYSA-N	324.315	1.730	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Nc2nocc2C)c1	1320139344	GXMSTWUKEABLSV-UHFFFAOYSA-N	304.306	1.523	50	20	DDGD	
Cc1conc1NC(=O)C(=O)NNc1cnc2ccccc2n1	1320387834	WVOXBYHKSHGVSF-UHFFFAOYSA-N	312.289	1.008	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)NCc2ccoc2)C[C@H]1Br	1331358455	JFARQBBQIHPYLE-BXKDBHETSA-N	315.167	1.186	50	20	DDGD	
O=C(N1CC[C@H](B(O)O)C1)C(F)(F)c1ccc(Cl)cc1	1331827176	OOXUNCMVMRBLIH-VIFPVBQESA-N	303.501	1.507	50	20	DDGD	
Cc1cc(C)cc(CNC(=O)NNC(=O)C2CCNCC2)c1	1330518705	DIFRHLYBRXVGBT-UHFFFAOYSA-N	304.394	1.133	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cc(C(C)(C)C)nn1C	1349121049	ZONFWDAOFSWTBY-VHSXEESVSA-N	323.397	1.295	50	20	DDGD	
Cc1cc(C)n2ncc(C(=O)NN(C)C(=O)OC(C)(C)C)c2n1	1348059180	ZJDICSAXPZUZNH-UHFFFAOYSA-N	319.365	1.858	50	20	DDGD	
NC(=O)NNc1nc(-c2c[nH]c3ccc(C(=O)O)cc23)cs1	1608238842	CTUBBUIDWJOPLN-UHFFFAOYSA-N	317.330	1.985	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cncc(Cl)n1	1609559173	KQHVISGVECFFBU-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)OC(C)C)ccc1C(=O)O	1607178169	HSBNADYKFWVWLW-UHFFFAOYSA-N	311.294	1.565	50	20	DDGD	
Cc1noc([C@@H](C)NC(=O)NNc2ccc(C(=O)O)c(F)c2)n1	1600803813	BJKBYXJSTDUUHP-ZCFIWIBFSA-N	323.284	1.603	50	20	DDGD	
Cc1cc(=NNC(=O)Nc2ccc(F)c(C(=O)O)c2)cc[nH]1	1600283038	LNRGKBIZXGQKKV-UHFFFAOYSA-N	304.281	1.798	50	20	DDGD	
O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1cccc(C(=O)O)c1	1601362595	YSLPDVGVIWYWML-UHFFFAOYSA-N	315.285	1.979	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H](C(=O)NNc2cc(F)cc(Cl)c2)O1	1602177183	WEZXRWRZLRUSNC-ZJUUUORDSA-N	302.689	1.554	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@@H](C(=O)O)c2cccs2)cn1	1600947841	VZUSELQSFMBUEX-SBKJXLNCSA-N	316.342	1.331	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1ccc(-c2nn[nH]n2)cc1F	1606862194	XMWOXJSIZXBTEW-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
CO[C@H](C)CCC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1609308527	OKBZZXPKQGUBKQ-MRVPVSSYSA-N	323.357	1.236	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCc2ccccc2)c(C(=O)O)nn1C	1600009805	RUVIWFMOUIOOBW-MDWZMJQESA-N	324.340	1.650	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2cccc(C(=O)O)c2)o1	1610484925	OQYFWRLCDMDLAB-UHFFFAOYSA-N	302.286	1.290	50	20	DDGD	
O=C(NCCCCc1ccc(Cl)s1)NNC(=O)C(=O)O	1610691625	RZIKWJYPKNEKCS-UHFFFAOYSA-N	319.770	1.139	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccc(C(=O)O)nc1	1610700753	WAWJYGJNYWUOPW-UHFFFAOYSA-N	302.246	1.445	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H]3C[C@@H](C)CN3C2)cc1	1548616088	UHLZIVHOPVKPRT-BMFZPTHFSA-N	315.417	1.876	50	20	DDGD	
CCc1oc(C=NNC(=O)NCc2ccco2)cc1C(=O)O	1610079599	KUTUPRIHLPKXKP-UHFFFAOYSA-N	305.290	1.967	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1sccc1C(=O)O	1610386688	WACHISPLHCFDMO-UHFFFAOYSA-N	320.417	1.512	50	20	DDGD	
O=C(NN=Cc1cccc(Cl)c1)[C@@H]1CN2CCC[C@H]2CO1	1549317550	WTFUMDLFMDKMCM-KBPBESRZSA-N	307.781	1.653	50	20	DDGD	
O=C(NN=Cc1ccc2ccccc2n1)[C@@H]1CN2CCC[C@H]2CO1	1549318712	QUIFDZWJSUXENA-RDJZCZTQSA-N	324.384	1.548	50	20	DDGD	
O=C(NN=C1CCC[C@H](C(F)F)C1)[C@H]1CN2CCC[C@@H]2CO1	1549321344	RSJDLBIBKNVNER-CYZMBNFOSA-N	315.364	1.777	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@@H]1C=NNC(=O)CC(F)(F)F	1552445944	AQKACMYQJQJCKX-SKDRFNHKSA-N	318.299	1.942	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C[C@H]1CCCO[C@@H]1c1cnn(C)c1	1552455261	UDMDKDIPZZBWQM-NEBZKDRISA-N	320.393	1.415	50	20	DDGD	
N#CCCC[C@@H](N)C(=O)NNc1cc(C(F)(F)F)ccn1	1580049143	IWLHSMVVTZOOKB-SECBINFHSA-N	301.272	1.565	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)C2=COCC2)C1	1846709763	YNXHZZCORJGQFL-GFCCVEGCSA-N	312.797	1.511	50	20	DDGD	
C[C@@H]1CN(C(=O)/C(C#N)=C/c2ccc(O)cc2)CC[C@H]1C(=O)O	1589365893	ANFCTPIJPCIJQI-YFVDUCKESA-N	314.341	1.868	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)[C@@H]1CCCNC1	1580735937	IMSOXOOMBXCVNN-KWCYVHTRSA-N	321.808	1.591	50	20	DDGD	
C[C@@]1(C(=O)N[C@H]2CC[C@@H](CC(=O)O)C2)C[C@H]1Br	1593758549	QLTCTGWCGWJJSD-JXVAYASWSA-N	304.184	1.920	50	20	DDGD	
CSSCCN1C(=O)[C@@H]2CC[C@H](C(=O)O)CN2C1=O	1599804390	LTSBREMPEPGSGX-YUMQZZPRSA-N	304.393	1.125	50	20	DDGD	
N#Cc1ccc(Br)c(NNC(=O)C2(C(=O)O)CC2)c1	1594617839	ZPHHOBRWIYZBKI-UHFFFAOYSA-N	324.134	1.629	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1cccc(C2CC2)c1	1593162838	BMPLOOCXSSKMNB-UHFFFAOYSA-N	321.344	1.896	50	20	DDGD	
O=C(O)C1(C(=O)NNCC(F)(F)C(F)(F)F)CCCCC1	1594865074	TZUBJQPPJUNYAR-UHFFFAOYSA-N	318.242	1.840	50	20	DDGD	
C[C@@H]1C[C@@H](C)CN(CC(=O)NNC(=O)c2ccc(F)cc2)C1	18708756	JKJPJMBMVFWBFB-VXGBXAGGSA-N	307.369	1.565	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H]2CCCCO2)c1	161340330	CWDAOBPMIRDUSF-CQSZACIVSA-N	306.362	1.399	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNc1cnc2ccccc2n1	163465312	HXRJQTQIBXFHHB-UHFFFAOYSA-N	318.340	1.963	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCCC2CCC2)c1	151971106	HDWDPKHDVFPKFN-UHFFFAOYSA-N	305.378	1.894	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C[C@@H](C)Cc2cccc(F)c2)[nH]n1	153201991	MXNOEQQCAYSSHN-JTQLQIEISA-N	318.352	1.887	50	20	DDGD	
CCCC1(CNC(=O)NNC(=O)Cc2cccnc2)CCC1	153554966	PMKSYJDAHRISOV-UHFFFAOYSA-N	304.394	1.925	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2cc[nH]c(=O)c2)cc1	157676476	MZGOOLAJRRQPDT-UHFFFAOYSA-N	317.370	1.237	50	20	DDGD	
C[C@H](C(=O)NNc1cc(F)c(F)c(F)c1)N1CCSCC1	154175960	UDFKPNMHSRAKRE-MRVPVSSYSA-N	319.352	1.984	50	20	DDGD	
CCC(=O)N1CCC[C@H](C(=O)NNc2ccncc2Cl)C1	154702216	UNDBGUKPHIKKOV-JTQLQIEISA-N	310.785	1.827	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)N[C@@H]1C[C@H]2CC[C@@H]1O2	154846339	NTYMJSJZPYHTFD-FZQKWOKYSA-N	314.345	1.432	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21	154920309	NHMQLVKORWKNKP-HYVNUMGLSA-N	322.368	1.293	50	20	DDGD	
CC(C)[C@@H]1C(=O)NCCN1C[C@H](CBr)C1CC1	859136142	ZMQFVOURDLTOMK-NWDGAFQWSA-N	303.244	1.864	50	20	DDGD	
CCO[C@H](C(=O)NCCSSCCC(=O)O)C1CC1	2088604147	WLUKLPOGPIYTCK-NSHDSACASA-N	307.437	1.774	50	20	DDGD	
CCCC(=O)N1CCC[C@H](C(=O)NNc2cc(C)ncn2)C1	172280397	IMUUXYQHEQSKIR-LBPRGKRZSA-N	305.382	1.267	50	20	DDGD	
CC[C@@H](CSC)NC(=O)NNc1ccc(-n2cccn2)nn1	179977501	SFNSYAWLZUFYBH-JTQLQIEISA-N	321.410	1.430	50	20	DDGD	
COC[C@H](C)CNC(=O)NNC(=O)c1cc2ccccc2o1	176268389	QITPRUVRNRSCIK-SNVBAGLBSA-N	305.334	1.659	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@H]1CC1(Cl)Cl	108974903	JPCZFIMMJWWNCS-MRVPVSSYSA-N	305.136	1.709	50	20	DDGD	
CCCC(=O)N1CCC[C@H](C(=O)NNC(=O)c2ccccc2)C1	54814087	TYXWGXORLBKUNG-AWEZNQCLSA-N	317.389	1.486	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NNC(=O)C[C@H]2C=CCC2)c1	27146522	DSHJARRMTYMPCP-NSHDSACASA-N	322.386	1.207	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(-c2ccccc2)on1	65206774	GCUNWZJUKXDBJD-UHFFFAOYSA-N	318.333	1.322	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Cc1cccc(OC(C)C)c1	110761539	JJYSTOXPUVLRNF-UHFFFAOYSA-N	316.361	1.509	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1ccc(F)c(F)c1	118964151	BRHREKUKIQPUDP-UHFFFAOYSA-N	306.272	1.755	50	20	DDGD	
C[C@H](NC(=O)c1[nH]nc2ccccc12)C(=O)NNc1ccccc1	111550251	DMCHQHGCNIPUIP-NSHDSACASA-N	323.356	1.825	50	20	DDGD	
CCS(=O)(=O)c1ccc(C(=O)NNc2ncc(F)cn2)cc1	123307224	DFKSYYWABJWXNB-UHFFFAOYSA-N	324.337	1.166	50	20	DDGD	
CCN(CCNC(=O)NNc1ncccn1)c1cccc(C)c1	127001333	OEVDNTZFUMNXKD-UHFFFAOYSA-N	314.393	1.938	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1c(C)nn(C)c1Cl	67436115	VRWRJLZUSZGIJE-UHFFFAOYSA-N	322.752	1.465	50	20	DDGD	
CN(NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)C(N)=O	181062199	RGIDJIQPPNFXGM-UHFFFAOYSA-N	324.287	1.594	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cc(-n2cccn2)ccn1	126615277	DHXCTGJRMQJQAK-UHFFFAOYSA-N	301.350	1.465	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(-n3cnnc3)cc2)n1	180687168	SILFGIPLDULACG-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N[C@@H](CO)c2ccccc2)cc1	180861152	FPQFVIMRFSWWIL-HNNXBMFYSA-N	324.340	1.236	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Cc1ccc(Cl)cc1Cl	75653100	WRBUJCBIXWDCHJ-UHFFFAOYSA-N	304.177	1.245	50	20	DDGD	
COc1cccc(NNC(=O)[C@H]2Cc3cc(F)ccc3O2)n1	180684464	AZYYOYHXNZLXMI-GFCCVEGCSA-N	303.293	1.676	50	20	DDGD	
CN(NC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1)C(N)=O	181093181	DJRSZMQOFAKDKJ-UWVGGRQHSA-N	312.167	1.594	50	20	DDGD	
CC(C)[C@H](NC(=O)c1cccs1)C(=O)NNc1cccnn1	77035238	VDHFRYXJHCLQHZ-LBPRGKRZSA-N	319.390	1.436	50	20	DDGD	
Cc1cc(F)ccc1NC(=O)C(=O)NNC(=O)CC(C)(C)C	126161406	QKCVVFCZEZTSCY-UHFFFAOYSA-N	309.341	1.656	50	20	DDGD	
CCC(CC)[C@H](C(=O)NNc1ccnc(F)c1)N1CCOCC1	182482791	HXGGFVTVIUYFCO-OAHLLOKOSA-N	324.400	1.801	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2cc(C(F)(F)F)ccc2F)CCN1	128572134	SQDMJWDPUGOIDK-SSDOTTSWSA-N	319.258	1.814	50	20	DDGD	
CC(C)(C)c1ncsc1C(=O)NNC(=O)Cc1cc[nH]n1	186102393	VTRHTHNNOGXWEG-UHFFFAOYSA-N	307.379	1.167	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)C[C@H]2CCCCO2)s1	76936587	SCYUCTTXACCSIG-SNVBAGLBSA-N	318.420	1.190	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2nc(-c3ccccc3)no2)CC1=O	76462958	VLVXROJRYLJMHF-LLVKDONJSA-N	315.333	1.048	50	20	DDGD	
O=C(NCc1ccco1)NNS(=O)(=O)c1cccs1	49152129	NGMCLQUFJIPSOA-UHFFFAOYSA-N	301.349	1.034	50	20	DDGD	
COC(=O)CCCCCCNC(=O)NNC(=O)c1ccccc1	47069448	NIISJBIQFVKXRV-UHFFFAOYSA-N	321.377	1.754	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNc1ccccc1[N+](=O)[O-]	86964534	MMDDMTQDPLAKDA-UHFFFAOYSA-N	308.338	1.687	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc(F)cc1Cl	48654669	BFLFCKZSRWFMBB-SSDOTTSWSA-N	308.762	1.835	50	20	DDGD	
C[C@H]1CCCC[C@H]1NC(=O)NNc1ccc(-n2cccn2)nn1	43043092	YRBXZENXYQEQEE-NWDGAFQWSA-N	315.381	1.867	50	20	DDGD	
CN(C)CCN1C[C@H](C(=O)NNc2cccc(Cl)c2)CC1=O	81244803	NVXLRAMXDAKYNW-LLVKDONJSA-N	324.812	1.193	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C[C@@H]2CCCOC2)c1	194997820	ULKGBGJRBZXQER-AWEZNQCLSA-N	320.389	1.646	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCCN2C(=O)C(C)C)o1	267828977	JOZNFAUDSOLYDU-LBPRGKRZSA-N	321.377	1.386	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)Cc2c(C)nn(C)c2C)n1	267219925	UCOSTQYFBBPSMH-UHFFFAOYSA-N	308.773	1.475	50	20	DDGD	
O=C(Cc1cc(F)cc2c1OCOC2)NNC(=O)C1CCC1	264800628	UDEAHGLPAOZDGT-UHFFFAOYSA-N	308.309	1.182	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)c1ccccc1C)c1ccco1	266971020	QWRQYHDZLFQIBH-CYBMUJFWSA-N	317.345	1.920	50	20	DDGD	
COc1ccc(C(=O)NNc2nc(C)cc(OC)n2)c(C)c1	266928581	NBHCXUQJOUIRRT-UHFFFAOYSA-N	302.334	1.868	50	20	DDGD	
CC(C)C[C@H](C)NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	269768236	ATTBBWHRBSYQBI-FZMZJTMJSA-N	321.377	1.591	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(OC(C)C)nc1	274086408	SGWCGUXNQOGBQP-SNVBAGLBSA-N	322.365	1.001	50	20	DDGD	
O=C(NNc1nnc(C2CC2)s1)[C@H]1CCc2cn[nH]c2C1	273651196	YESWALVMNYUAEW-QMMMGPOBSA-N	304.379	1.387	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H](O)CN1CCO[Si](C)(C)C(C)(C)C	368576586	KEHQIQSQVVKUDG-NEPJUHHUSA-N	303.475	1.616	50	20	DDGD	
CCCc1cc(NC(=O)NNC(=O)c2ccccc2F)n(C)n1	273377569	GZTBUMPQLPQYOB-UHFFFAOYSA-N	319.340	1.978	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1cnn(Cc2ccccc2)c1	272581310	MLAOLEOVOSFSBS-UHFFFAOYSA-N	313.361	1.884	50	20	DDGD	
O=C(NCC1CCCC1)NNc1ccc(-n2ccnc2)nn1	285811394	VUFPLHZJDIDADX-UHFFFAOYSA-N	301.354	1.479	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cccc(OCc2noc(C)n2)c1	286362552	NBLUJWWWOSFSMI-UHFFFAOYSA-N	320.305	1.300	50	20	DDGD	
CC(C)SCCNC(=O)NNC(=O)c1ccc(C#N)cc1	288354550	YFOFECQLXMQYOL-UHFFFAOYSA-N	306.391	1.644	50	20	DDGD	
COCC1(CNC(=O)NNC(=O)c2ccccc2OC)CCC1	282259227	UMMAVXUEYNQCQY-UHFFFAOYSA-N	321.377	1.456	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@H]1CCCCO1)c1ccc(C#N)cc1	296515914	ZQOXMIMZWUXJBE-SMDDNHRTSA-N	316.361	1.519	50	20	DDGD	
Cc1ccc2ncc(C(=O)NCC(Cl)Cl)c(=O)n2c1	294630418	JPPATPRLFMVOJR-UHFFFAOYSA-N	300.145	1.536	50	20	DDGD	
C[C@@H](NC(=O)NN[C@]1(C)CCS(=O)(=O)C1)c1ccsc1	802391691	ZRGJVXWUHSPHLO-BXKDBHETSA-N	317.436	1.190	50	20	DDGD	
COC1(CCNC(=O)NNC(=O)c2ccccc2O)CCC1	297304597	KUGUWAPWDZSGFK-UHFFFAOYSA-N	307.350	1.295	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)c1cnn(CCF)c1	806774837	JCCVDCNFXJHNNU-UHFFFAOYSA-N	316.296	1.660	50	20	DDGD	
COc1ccc(CNC(=O)NN(C)c2ccccc2)c(OC)n1	291097451	ZJIMCGHOGZPVKX-UHFFFAOYSA-N	316.361	1.949	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2c(C)nsc2C)cc1	292322897	RLFSQOHGKHXCBL-UHFFFAOYSA-N	319.386	1.908	50	20	DDGD	
CCC[C@H](CNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)OC	297775253	WNMHLVSGJJBZQD-GFCCVEGCSA-N	324.337	1.354	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@@H](CO)CC1	294515361	KPHKATROTFSKCS-CYBMUJFWSA-N	313.829	1.973	50	20	DDGD	
Cn1nc2c(c1C(=O)NNC(=O)Nc1ccccc1)CCCC2	801991189	KPGLBUZFIYQRGB-UHFFFAOYSA-N	313.361	1.765	50	20	DDGD	
Cc1cc(=NC(=O)NNC(=O)c2cnccn2)c2ccccc2[nH]1	809886419	DXRGVUNMGOYOFP-UHFFFAOYSA-N	322.328	1.222	50	20	DDGD	
Cc1ccccc1-n1cc(/C=C(\C#N)C(N)=C(C#N)C#N)nn1	806570176	RWLHDUGKHNNSHT-WUXMJOGZSA-N	301.313	1.743	50	20	DDGD	
COc1cccc(OCC(=O)NNC(=O)NC2CCCCC2)c1	298873839	XAORAWBDTZYFPT-UHFFFAOYSA-N	321.377	1.737	50	20	DDGD	
COc1ccc(COCC(=O)NNc2ncccc2F)cc1	804218682	AWFUYWISWTVYME-UHFFFAOYSA-N	305.309	1.889	50	20	DDGD	
CCOCC(=O)NN=C(C)c1cccc(O[C@@H](C)C(=O)O)c1	814843241	PSMLHEGNYIYGTK-NSHDSACASA-N	308.334	1.415	50	20	DDGD	
Nc1nc2c(s1)C(=NNC(=O)c1ccc(O)cc1)CCC2	814691764	QDYCDPLKUWTMDA-UHFFFAOYSA-N	302.359	1.901	50	20	DDGD	
CCOC1CC(=NNC(=O)c2nn(-c3ccccc3)cc2O)C1	814757576	ITLQWFDTRQRXAO-UHFFFAOYSA-N	314.345	1.863	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NNC(=O)c1ccnnc1	817693496	PQENMBSAVYEXKV-WDEREUQCSA-N	302.359	1.411	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)N=c2cc[nH]cc2)[C@H](C)C1	815003194	ITTUPZJIRHKOMT-VXGBXAGGSA-N	318.377	1.980	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1cc(F)c(N)c(F)c1	814864936	KBMQTPKWDPZVLN-SECBINFHSA-N	315.320	1.439	50	20	DDGD	
Cc1n[nH]c(C)c1C=NNC(=O)CSc1ccccc1O	814970899	ILZKCTRLXLBMEM-UHFFFAOYSA-N	304.375	1.975	50	20	DDGD	
CNC(=O)NNC(=O)[C@@H](C)c1cccc(Br)c1	812533993	GTGAMSDGDLAGDI-ZETCQYMHSA-N	300.156	1.513	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@H]2CC[C@H](C(N)=O)CC2)n1	817177518	RRAFYZJCMWYKFB-XYPYZODXSA-N	321.381	1.008	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@@H]1CCN(c2ccccc2F)C1	810584436	RAAXPASCONHMFJ-GFCCVEGCSA-N	320.368	1.392	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cccc2nc(O)[nH]c12	816829232	GXTUWXLBBRYEBG-UHFFFAOYSA-N	310.313	1.652	50	20	DDGD	
CN1C(=O)CC[C@@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	819747548	UEQAEKKKUOBOBQ-SSDOTTSWSA-N	303.149	1.452	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)NC2CCC2)c(OC)c1	814196279	AQKDFZRSNSKRCN-UHFFFAOYSA-N	309.391	1.365	50	20	DDGD	
CC(=O)NNC(=O)c1cc(F)ccc1I	725878826	SAFZIBXDUKTQQO-UHFFFAOYSA-N	322.077	1.211	50	20	DDGD	
COC(=O)c1ccc(Cl)c(C(=O)NNc2ncc(F)cn2)c1	810777194	WLJFVHGXANDWIW-UHFFFAOYSA-N	324.699	1.813	50	20	DDGD	
O=C(CCCn1ccnc1)NNC(=O)NCCc1cccs1	729343967	LYSZJQIUNYQEMB-UHFFFAOYSA-N	321.406	1.298	50	20	DDGD	
CCn1cc(CNC(=O)NNc2c(F)cccc2Cl)nn1	821729072	VQINDTGBHBPWPC-UHFFFAOYSA-N	312.736	1.917	50	20	DDGD	
C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NNC(=O)CC(C)(C)C	495683453	AKYRFDPLXPINIM-JTQLQIEISA-N	315.414	1.731	50	20	DDGD	
Cc1cc(F)c(S(=O)(=O)NNC(=O)OC(C)(C)C)c(F)c1	496952156	YLGFVAZGQFCGAP-UHFFFAOYSA-N	322.333	1.991	50	20	DDGD	
COC(=O)c1ccc(O)c(C=NNC(=O)Cc2cccnc2)c1	728786704	UEJSZLBFOINAOB-UHFFFAOYSA-N	313.313	1.267	50	20	DDGD	
Cc1nc(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)sc1C	826114982	YHELXTVNIVORJI-PSASIEDQSA-N	312.395	1.015	50	20	DDGD	
CCN(CC)CCCN(CC)C(=O)/C(C#N)=C\c1cnn(C)c1	491107581	VVMZXEAVJPMECY-WJDWOHSUSA-N	317.437	1.907	50	20	DDGD	
CCC(=O)NN=Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1	496485046	CMWIAUPTTVGRHZ-UHFFFAOYSA-N	322.365	1.869	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H](F)C(F)(F)F	822731849	PLMDXUHTQSFRRS-MRVPVSSYSA-N	312.194	1.956	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCc1ncc(-c2ccccc2)o1	823983357	RJZKQDNQUUTDJM-GFCCVEGCSA-N	303.362	1.618	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CN(C)c1nc2ccccc2s1	823965182	KEEHZODLWCAYRQ-JTQLQIEISA-N	308.407	1.076	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2nc(-c3cccnc3)no2)n[nH]1	728076665	HRKVFVTYKCCJJF-UHFFFAOYSA-N	313.321	1.735	50	20	DDGD	
CC1(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCC(=O)CC1	823507917	MIQOPTAGJXHZON-UHFFFAOYSA-N	319.317	1.505	50	20	DDGD	
C[C@]1(C(=O)N2CCC3(CC2)OCCO3)C[C@H]1Br	905880947	NIBWPRKGCWUSPY-KOLCDFICSA-N	304.184	1.525	50	20	DDGD	
C=CC[C@H](CC(F)(F)F)NCc1ccc(B(O)O)cc1F	585044944	XROLWFBFMJUIKW-LLVKDONJSA-N	305.080	1.492	50	20	DDGD	
CC(C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1)=C1CCC1	823855294	MKEOHYJXRBKMRK-UHFFFAOYSA-N	301.346	1.581	50	20	DDGD	
Cc1cc(C)c2c(c1)[C@H](NCc1ccc(B(O)O)o1)CCO2	585021373	UMKLRJZJRQPMHA-CQSZACIVSA-N	301.151	1.190	50	20	DDGD	
CCOC(=O)C1CCN(C(=O)[C@]2(C)C[C@H]2Br)CC1	905044662	WTBYNSPHKUCALD-ZWNOBZJWSA-N	318.211	1.962	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CC(C(=O)OC(C)(C)C)C2)cn1	491053500	YQLLSGSSTAZCEC-XGICHPGQSA-N	316.361	1.127	50	20	DDGD	
C[C@@H]1SCC[C@H]1NC(=O)NNC(=O)Cc1ccccc1F	827642952	IINHPEOBKIZKNU-JOYOIKCWSA-N	311.382	1.593	50	20	DDGD	
Cc1cccc2c1O[C@H](C(=O)NNC(=O)NC1CCCCC1)C2	823644335	CAPSSOCPRDJVCV-AWEZNQCLSA-N	317.389	1.962	50	20	DDGD	
O=C(CCc1ccccc1)NNc1cccc(-c2nn[nH]n2)c1	826409366	VDVAQUGSCMDFHA-UHFFFAOYSA-N	308.345	1.943	50	20	DDGD	
O=C(NNc1ccc(F)cn1)Nc1ccc(-c2nn[nH]n2)cc1	738137542	PMCBGVVCWMYGJG-UHFFFAOYSA-N	314.284	1.549	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C	490813779	REQAWAZDGPENPC-NIANNCQZSA-N	311.382	1.850	50	20	DDGD	
CC(C)N1CCN(C(=O)[C@@]2(C)C[C@@H]2Br)CC1=O	907271053	VANQVUXJFZSLJP-CABZTGNLSA-N	303.200	1.239	50	20	DDGD	
CCc1cnc([C@H](C)NC(=O)c2ccc(B(O)O)c(F)c2)s1	584961895	ZBPOBOJLSMGDLZ-QMMMGPOBSA-N	322.170	1.015	50	20	DDGD	
O=C(NCB(O)O)c1cnn(C2CCCC2)c1-c1ccccc1	585063279	WCIGUHYJEGUECY-UHFFFAOYSA-N	313.166	1.407	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)c1sccc1-c1nn[nH]n1	738137601	QEWKZYJWFKFONE-UHFFFAOYSA-N	322.300	1.963	50	20	DDGD	
C[C@H](CN(C)C(=O)c1ccc(B(O)O)cc1)C1CCCCC1	585011154	CRSJDFRTWAQFBK-CYBMUJFWSA-N	303.211	1.655	50	20	DDGD	
N#Cc1ccc(C(=O)NN[C@@H](C(=O)O)c2ccc(C#N)cc2)cc1	739101481	JBVXKFZNUPXLHH-OAHLLOKOSA-N	320.308	1.490	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)CCc1cccc(F)c1	901853704	AHQOZCCTYKJIFJ-UHFFFAOYSA-N	302.371	1.365	50	20	DDGD	
C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)NNC(=O)C1CCC1	732453359	CRGILIUVMZNCDZ-UPJWGTAASA-N	310.442	1.483	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCCO1)c1cc(C(=O)O)ccc1O	834988344	HTSQMXOEPOYPTJ-CYBMUJFWSA-N	306.318	1.500	50	20	DDGD	
C[C@H](CC(=O)NNc1nc2ccccc2c(=O)n1C)C1CC1	733262461	ZVPMITHPFPYFGI-SNVBAGLBSA-N	300.362	1.813	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)NC[C@H](C)N(C)C)cc1	838684259	LJLLFWVOEQHFCO-LBPRGKRZSA-N	324.450	1.368	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2C[C@]23CCOC3)c1F	837061601	OBWAMDGWAREETM-BMIGLBTASA-N	308.309	1.482	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNc1ccc(C(=O)OC)cc1F	837207772	ZZKBUGINEGBDBC-NXEZZACHSA-N	312.341	1.974	50	20	DDGD	
O=C(N[C@H](c1ccccc1)C1CCC1)c1cccc(B(O)O)c1	584942616	LLMAWTXXHJYGFB-QGZVFWFLSA-N	309.174	1.638	50	20	DDGD	
O=S(=O)(CBr)N[C@@H](C1CC1)[C@@H](CO)C1CC1	832230699	FSADCSFZEXYMCI-UWVGGRQHSA-N	312.229	1.055	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@H]1CCN1C(=O)OC(C)(C)C	832139223	SCQHHYAUZKVGIS-HCRIHEDKSA-N	309.366	1.556	50	20	DDGD	
CCS(=O)(=O)CCN(C)C(=O)[C@]1(C)C[C@H]1Br	907151670	WVPFOCAVJFZMIW-PSASIEDQSA-N	312.229	1.053	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)COc1ccc(C#N)cc1	834922168	MXTJOHJOELFZFY-UHFFFAOYSA-N	312.333	1.007	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21	834348504	NMBLCDOBWXKYCP-JHJVBQTASA-N	302.378	1.528	50	20	DDGD	
CC1CCN(C[C@@H](C)C(=O)NN=Cc2cc(C(=O)O)co2)CC1	901153491	IGWGTDVNRWSVCK-GFCCVEGCSA-N	321.377	1.796	50	20	DDGD	
CCc1nc([C@H](C)NCc2ccc(B(O)O)cc2F)cs1	585027563	BIPLWFDYTSRNIE-VIFPVBQESA-N	308.187	1.375	50	20	DDGD	
COc1ccc(C=NNC(=O)C2CCC2)c(OCC(=O)O)c1	734364686	BHCAKFLWKGBDSL-UHFFFAOYSA-N	306.318	1.409	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H]2CCC[C@H]2C(=O)NC)cc1	838534668	PKYJYKTYQRVNEE-KGLIPLIRSA-N	320.393	1.626	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H]2CCOc3ccccc32)c(F)c1	585024169	RFUROIITWAUVNC-LBPRGKRZSA-N	315.153	1.161	50	20	DDGD	
C[C@H]1CCC[C@H]1NC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836283894	BZKBDBBCRWSGMV-GXSJLCMTSA-N	320.349	1.940	50	20	DDGD	
C[C@H](O)[C@@](C)(CNS(=O)(=O)CCl)Cc1ccccc1	831255147	HQIOYBAJOWHQLU-WCQYABFASA-N	305.827	1.732	50	20	DDGD	
CON=Cc1ccc(C(=O)NNc2cccc(OC)n2)cc1	588413444	WFSCGOMPPKYOLJ-UHFFFAOYSA-N	300.318	1.827	50	20	DDGD	
COC(=O)[C@@H](C)n1cccc1C=NNC(=O)[C@H]1CCCCO1	834985308	HSYBQJGKLMDHER-DGCLKSJQSA-N	307.350	1.241	50	20	DDGD	
COC(=O)C(C)(C)N(C)S(=O)(=O)c1ccc(CCl)cc1	914058644	CWMRYQMZQSUJNJ-UHFFFAOYSA-N	319.810	1.998	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2ccc3c(c2)nnn3C)n1	737426556	AXYBHUIWGPLMDI-UHFFFAOYSA-N	314.374	1.426	50	20	DDGD	
CNC(=O)NNC(=O)c1cnc2ccccc2c1C(F)(F)F	919879245	OFSWNWALVYXQCI-UHFFFAOYSA-N	312.251	1.827	50	20	DDGD	
CO[C@](C)(CNC(=O)NNc1ncncc1F)c1ccccc1	836592304	GVLGAOOAGQFKSG-OAHLLOKOSA-N	319.340	1.804	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1ccc([S@](C)=O)cc1	746372099	KAGMZOUORSHGIP-NRFANRHFSA-N	304.375	1.312	50	20	DDGD	
O=C(COc1ccccc1F)NN=Cc1cccc(O)c1O	916300794	ZGOJLHLFXNMURH-UHFFFAOYSA-N	304.277	1.766	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c(O)n1	916740785	LYDCMSMUDBHCIA-UHFFFAOYSA-N	316.273	1.079	50	20	DDGD	
Cc1ccc(NNC(=O)NCCCOCC2CCOCC2)nn1	740918768	PSYIPWSZVFWOCQ-UHFFFAOYSA-N	323.397	1.244	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H](C)n1cnc2ccccc21	843648158	VXIZQYBOEHXQIS-WOPDTQHZSA-N	316.361	1.170	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccc2c(c1)OCCO2)c1ccco1	741525725	WEGXUEXUOIGKKS-SNVBAGLBSA-N	316.313	1.616	50	20	DDGD	
O=C(NCCN1CCSCC1)NNc1cc(F)ccc1F	918218023	ZSOXDEWXBUTIRE-UHFFFAOYSA-N	316.377	1.640	50	20	DDGD	
C[C@H](Cc1ccsc1)NC(=O)NNC(=O)Cc1ccncc1	747496386	WPVLUQBZBJAUJT-LLVKDONJSA-N	318.402	1.647	50	20	DDGD	
Cc1noc(Cl)c1CCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843971758	DLYATFJCUFWYES-SCZZXKLOSA-N	315.757	1.141	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)[C@@H]1CC12CCCC2	747384106	SANQJZMDCHVTIV-NSHDSACASA-N	304.346	1.499	50	20	DDGD	
NC[C@H]1CC[C@H](CNC(=O)NNC(=O)c2ccccc2F)CC1	841995371	LCASDVHFYYLZGN-HAQNSBGRSA-N	322.384	1.535	50	20	DDGD	
C[C@]1(CNC(=O)c2cccc(C#CCO)c2)C[C@@H]1Br	912826950	DZOXIXFTOHAGGT-DZGCQCFKSA-N	322.202	1.934	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1cnn(-c2ccccc2)c1	746490510	ZYHSERCNNULMKV-UHFFFAOYSA-N	306.329	1.816	50	20	DDGD	
COCCN(C)CCNC(=O)NNc1cc(Cl)ccc1C	916330590	JNXVCLLOWUGUBW-UHFFFAOYSA-N	314.817	1.853	50	20	DDGD	
C[C@@H](CCCN)NC(=O)NNc1cccc(Br)n1	841999294	GKWZEHGKQJYBDA-QMMMGPOBSA-N	316.203	1.598	50	20	DDGD	
CN([C@@]1(CO)CCOC1)S(=O)(=O)c1ccc(CCl)cc1	916058130	VWUKLPTXZUCWCA-CYBMUJFWSA-N	319.810	1.197	50	20	DDGD	
COC(=O)c1cc(NC(=O)[C@]2(C)C[C@@H]2Br)nn1C	913024047	QXWBLHVCZAGMLB-WRWORJQWSA-N	316.155	1.319	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NCC2=CCNCC2)ccc1F	841973311	PHVMBFUVUNYJOU-UHFFFAOYSA-N	322.340	1.158	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNc1nc2ccccc2n1C	848381899	XGXXDFCDNUAJBV-JTQLQIEISA-N	303.366	1.164	50	20	DDGD	
C[C@@H](COCC1CC1)NC(=O)NNC(=O)c1ccc(C#N)cc1	845583624	PVJVYMCCLSXQJB-NSHDSACASA-N	316.361	1.317	50	20	DDGD	
COc1ccc(CCCCC(=O)NN(C)C[C@H](C)O)cc1OC	910184909	SFHZISNKJFDTII-ZDUSSCGKSA-N	324.421	1.760	50	20	DDGD	
CC[C@H](C)C(=O)NN=Cc1c(Cl)nc(N)nc1N1CCCC1	915973545	AADHGUSZSJWLAV-VIFPVBQESA-N	324.816	1.809	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCCc1ccc(F)cc1	847394571	XMCDHJCIUDMLLM-UHFFFAOYSA-N	311.357	1.515	50	20	DDGD	
CCCC[C@H](CN)NC(=O)NNC(=O)CCCc1ccccc1	841957429	JSEFMNJQKDYZAN-OAHLLOKOSA-N	320.437	1.857	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1nc2c(s1)CCCCC2	841018359	ISWRDZMAVKCUGM-UHFFFAOYSA-N	311.411	1.304	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)Cc2nonc2C)cc1	845089884	URAMGAWJVKZTOB-UHFFFAOYSA-N	320.374	1.169	50	20	DDGD	
O=C(NN=C1CCc2c1cccc2[N+](=O)[O-])N1CCOCC1	848404550	VJFIRRSKOBXGLR-UHFFFAOYSA-N	304.306	1.287	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1cc(F)cc(F)c1	755891521	IDZONRQZKOCMDY-UHFFFAOYSA-N	322.271	1.249	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2CCCN2C(C)C)cc1	929290399	RNJADGGEWSBYKE-HNNXBMFYSA-N	303.406	1.883	50	20	DDGD	
CNC(=O)NNC(=O)C1(c2ccc(OC)c(OC)c2)CCC1	755139735	BCNYTRBBZIUUME-UHFFFAOYSA-N	307.350	1.086	50	20	DDGD	
CCC[C@@H](C)CC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855830485	GYRIUSNOXWWQHB-GFCCVEGCSA-N	313.442	1.903	50	20	DDGD	
CON(C)C(=O)CCC(C)=NNC(=O)c1cccc(C(=O)O)c1	853427858	XMFKNGSIHNWRJM-UHFFFAOYSA-N	321.333	1.291	50	20	DDGD	
O=C(C[C@@H]1CCCC(=O)N1)NNc1ccc([N+](=O)[O-])cc1F	855627122	VXWZPDJDGHNMOX-QMMMGPOBSA-N	310.285	1.236	50	20	DDGD	
CNC(=O)c1cccc(NC(=O)NNC(=O)CC(C)C)c1C	755659741	YJPDKPVWRCPCIL-UHFFFAOYSA-N	306.366	1.553	50	20	DDGD	
C[C@@]1(CNC(=O)NCCOC(F)(F)F)C[C@H]1Br	856852071	MHILIQXZFLRVKY-SVRRBLITSA-N	319.121	1.996	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)CC(C)C)cccc1-n1cnnn1	755445264	YYLVHELAOBKCQD-UHFFFAOYSA-N	317.353	1.170	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1cnc(C(C)(C)C)nc1	756243995	BEPQEWBSMOQSIF-UHFFFAOYSA-N	317.353	1.272	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1snnc1C1CC1	855090168	QZUMAUZNIIZUPE-UHFFFAOYSA-N	311.436	1.325	50	20	DDGD	
CCCOc1ccc(C(=O)NN=Cc2cc[nH]n2)cc1OC	755566073	LIAKASASTOVYMS-UHFFFAOYSA-N	302.334	1.971	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(CCO)Cc1ccc(OC)cc1	922674234	ZRCRGKJIZKVFFQ-WYMLVPIESA-N	304.346	1.460	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@]3(CCOC3)C2)C[C@H]1Br	856900085	TVBVOHDHFLDEGZ-RTXFEEFZSA-N	317.227	1.982	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1ncc(Cl)cn1)C1CCCC1	857729270	PYGSSRVUGXWVJV-LLVKDONJSA-N	311.773	1.268	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C2(O)CCCC2)c1C	920436656	BZSMCXUHHAPVRT-UHFFFAOYSA-N	307.419	1.926	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2COC[C@@H]2C)c1C	926022177	JNWUVMKBOMNNRL-ZANVPECISA-N	307.350	1.443	50	20	DDGD	
CCn1ncc(C)c1NC(=O)C(=O)NNc1cc(F)ccc1C	850586560	WUZDRNDITOGVIY-UHFFFAOYSA-N	319.340	1.741	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NC[C@]1(C)C[C@@H]1Br	857392622	BAFXWHMXQNPXDC-MDZLAQPJSA-N	319.243	1.244	50	20	DDGD	
C[C@]1(CNC(=O)N2CC(=O)N(C3CC3)C2)C[C@H]1Br	856898245	ZIZATSLWJBSSBF-BXKDBHETSA-N	316.199	1.134	50	20	DDGD	
C[C@@H](CBr)COC(=O)/C=C/c1ccc(C(N)=O)o1	853928043	HUCFCKRXAPUOQD-WGAJWPLOSA-N	316.151	1.966	50	20	DDGD	
N#Cc1cccc(NNC(=O)NCC2CC3(C2)OCCO3)c1	927071858	GEWGAPUMMWWZDY-UHFFFAOYSA-N	302.334	1.337	50	20	DDGD	
Cn1nc(Br)cc1C(=O)NNC(=O)C1CCCC1	757836502	LKCMQUODCWRMMI-UHFFFAOYSA-N	315.171	1.134	50	20	DDGD	
CN1C(=O)CC[C@H]1CC(=O)NNC(=O)c1cccc(Cl)c1	854196928	QWRHSTGUDUTVEL-NSHDSACASA-N	309.753	1.112	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1nc2ccsc2s1	756637836	PMXABBPZVOWTFF-UHFFFAOYSA-N	320.359	1.614	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@H]1CCN(C(C)C)C1=O	853739798	PJYGHHYPLUCMLW-LBPRGKRZSA-N	308.357	1.770	50	20	DDGD	
C[C@H](N)C1CCN(C(=O)NC[C@@]2(C)C[C@H]2Br)CC1	857105732	QUTCADRBRPDNBP-UFGOTCBOSA-N	318.259	1.929	50	20	DDGD	
CCc1nc2c(s1)C(=NNC(=O)C(=O)NC1CC1)CCC2	756823071	ICYMROVLNQTYGH-UHFFFAOYSA-N	306.391	1.141	50	20	DDGD	
Cc1cc(C=NNC(=O)C(=O)Nc2ccccn2)cc(C)c1O	758387014	FKKOTPMVIYMGNM-UHFFFAOYSA-N	312.329	1.493	50	20	DDGD	
CON1CCN(C(=O)c2c(C)nn(CCCl)c2C)CC1	854859306	ACGGNVUFWAEZAQ-UHFFFAOYSA-N	300.790	1.058	50	20	DDGD	
Cc1c(CNC(=O)NC[C@]2(C)C[C@@H]2Br)cnn1C	856844491	MSYXXHLJRGQLAC-JQWIXIFHSA-N	315.215	1.701	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)COc2ccc(F)cc2)s1	755554542	VSOKCTLZVVZJOV-UHFFFAOYSA-N	322.365	1.877	50	20	DDGD	
CC(C)(C)N1CC[C@H](NC(=O)NNc2ccc(Cl)nn2)C1	852466542	SIVONFNMYNXADR-VIFPVBQESA-N	312.805	1.629	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@H]1COc2ccccc21	854281301	DDRNCCCVMVKQGD-LBPRGKRZSA-N	323.418	1.037	50	20	DDGD	
COC1(C(=O)NNC(=O)c2cccc3ncccc23)CCCC1	754217338	SZGOQGYEDVSCJJ-UHFFFAOYSA-N	313.357	1.955	50	20	DDGD	
CNC(=S)N(C)NC(=O)CC[C@@H]1Cc2ccccc2NC1=O	854927112	VFDWNXKJWYWCKD-LLVKDONJSA-N	320.418	1.045	50	20	DDGD	
CCCCS(=O)(=O)CC(=O)NNc1ccc(F)c(F)c1F	935020608	RDZFFXLLRBYKIB-UHFFFAOYSA-N	324.324	1.762	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)NCC1CC=CC1	858720019	HZIAKKCBBHEQTR-UHFFFAOYSA-N	313.361	1.173	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(F)cc2ccoc12	930733388	QPLVBFGBGWLTDS-UHFFFAOYSA-N	309.297	1.552	50	20	DDGD	
Cc1cc(=NNC(=O)c2c(C)nc(C3CC3)nc2S)cc[nH]1	862512760	HDZURSDOEPFEKT-UHFFFAOYSA-N	315.402	1.833	50	20	DDGD	
O=C(NNc1ccc(F)cc1)C(=O)Nc1cnn(C(F)F)c1	768225085	CIDYDCAHAWNIQE-UHFFFAOYSA-N	313.239	1.499	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)C)cc1C(F)(F)F	863865609	VYIPEOFLSPXJEP-UHFFFAOYSA-N	303.284	1.336	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN1C1CCCC1)c1ccccc1O	862468111	CBUBQAXSORONKD-CYBMUJFWSA-N	303.362	1.170	50	20	DDGD	
Cc1cccc2sc(NNC(=O)N[C@H]3CCN(C)C3=O)nc12	868295074	WJRLDBSGXVUCGX-VIFPVBQESA-N	319.390	1.462	50	20	DDGD	
C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1cccc(B(O)O)c1	867294312	BLTKGYLOGDMMNI-KOLCDFICSA-N	315.100	1.169	50	20	DDGD	
Cc1ccc(NCc2ccccc2B(O)O)cc1OC(F)F	864022144	OVWXSIYBGPAWME-UHFFFAOYSA-N	307.105	1.888	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@H](CO)Cc1ccccc1	866830865	XZQXWMKEVNOBAJ-ZDUSSCGKSA-N	319.854	1.774	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)[C@H](C)OCCOC)CCCC1	761779739	UTJIUAZOBTZSGG-LBPRGKRZSA-N	315.414	1.339	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2cccc(O[C@@H](C)C(=O)O)c2)n[nH]1	764797208	OUSHDEMDMLIEGA-JTQLQIEISA-N	316.317	1.334	50	20	DDGD	
O=C1N[C@H](C(=O)NNc2ccc(OC(F)(F)F)cc2)CCO1	860320166	OYVNDSBZGJWMJJ-VIFPVBQESA-N	319.239	1.527	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccnc(N2CCCCC2)n1	760915202	XDJQZFCWSRXFLQ-UHFFFAOYSA-N	317.328	1.153	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCc1ccc(F)cn1	764375445	BSCSMVRJGBVOSW-UHFFFAOYSA-N	320.299	1.433	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)CCc1cnn[nH]1	866876730	BSQNJCQMQYUXCE-UHFFFAOYSA-N	324.182	1.952	50	20	DDGD	
Cc1nn(C)c(=O)c(C(=O)NNc2ccc(F)cc2F)c1C	765199699	XWXPVMFWPLDFCT-UHFFFAOYSA-N	308.288	1.432	50	20	DDGD	
CC[C@H](SC)C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	767674102	HJIZGRBJBBJNTG-LBPRGKRZSA-N	324.402	1.441	50	20	DDGD	
O=C(CCn1cnnn1)NNc1ccccc1OC(F)(F)F	1119629184	ABCCHCPBJHJSBO-UHFFFAOYSA-N	316.243	1.105	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)cc[nH]1	875348673	OXOJEFDTDCGRJN-DZGCQCFKSA-N	306.410	1.889	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2	878094888	SMTNGIWASZOCPN-VIFPVBQESA-N	308.338	1.021	50	20	DDGD	
C=C[C@@](C)(CCOC)C(=O)NNC(=S)NCCSC	1116707446	XRVNHESSTYZTIE-LBPRGKRZSA-N	305.469	1.074	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2NC(=O)O[C@@H]2C)cc1C	873763333	UWZKGHWXRAZMKZ-MWLCHTKSSA-N	322.390	1.118	50	20	DDGD	
C#CCN1CCC[C@H](NC(=O)NNc2cc(Cl)ccn2)C1	1119310316	YIIVKQXSFKKJML-LBPRGKRZSA-N	307.785	1.459	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)c1nc2ccccc2s1	874913596	FTUUDTPICSKKKV-UWVGGRQHSA-N	321.402	1.976	50	20	DDGD	
CC[C@@H](Cc1cccc(C)c1)C(=O)NNC(=O)C(=O)NC(C)C	873837001	ISAPWWFHZRRVKA-AWEZNQCLSA-N	319.405	1.236	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cccnc1OCC(F)F	1116401604	MMSOHUPHCHTMAZ-UHFFFAOYSA-N	318.349	1.243	50	20	DDGD	
COCCOCC(=O)NN=Cc1cc(O)cc(C(F)(F)F)c1	872400879	WKFVULWYCOBZFC-UHFFFAOYSA-N	320.267	1.524	50	20	DDGD	
CC(C)C(=O)NNC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1	777760985	VZGMEDLABQYJQF-NSHDSACASA-N	313.398	1.437	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc(C#N)c(C)n1	1116015574	KZPSFKAXIKHDFI-UHFFFAOYSA-N	310.313	1.345	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cccc3c2OCO3)n1	775721557	FUQCYMUZADOJKB-UHFFFAOYSA-N	303.278	1.363	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCc1nnc2n1CCC2	771295768	LBOQGVHWAHJJRF-UHFFFAOYSA-N	304.329	1.498	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccc2c(c1)C(=O)CCCC2	1117990249	WFWLHXUEFMNOMV-UHFFFAOYSA-N	305.334	1.131	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cnc(O)c(C(F)(F)F)c1	1119814827	XMOUPVSUEGOBBF-UHFFFAOYSA-N	305.256	1.613	50	20	DDGD	
CC1=NO[C@H](C(=O)NNC(=S)Nc2cc(C)ccc2C)C1	873756502	LMXZURHHQZMFME-LBPRGKRZSA-N	306.391	1.786	50	20	DDGD	
Cn1cc(C#N)c(NC(=O)NC[C@@]2(C)C[C@@H]2Br)n1	878875360	DXHGOUVQYBAAIW-GZMMTYOYSA-N	312.171	1.587	50	20	DDGD	
CC[C@@H]1C[C@@H](C)CN1CC(=O)NNC(=O)c1cccc(C)c1	777594933	KTYFGMKWJPFXLX-UKRRQHHQSA-N	303.406	1.876	50	20	DDGD	
CCc1nnc(O)c(CNS(=O)(=O)CCCCl)c1CC	881989871	SPULINTYNMYFTC-UHFFFAOYSA-N	321.830	1.355	50	20	DDGD	
Cc1ocnc1CNC(=O)NNC(=O)c1cccc(Cl)c1	770807651	ONMVARXJPIWUIC-UHFFFAOYSA-N	308.725	1.781	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H](O)Cc1ccccc1Cl	772413725	YPYZZKNLVMADEO-GFCCVEGCSA-N	313.785	1.374	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)c2nccs2)c1	772952883	GWXKPIMIXYBBFI-UHFFFAOYSA-N	302.384	1.756	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1ccccc1-c1ccno1	782250611	BXGWMCZTYXAVAK-UHFFFAOYSA-N	324.362	1.244	50	20	DDGD	
COCC(=O)NN=C1CCCCC[C@H]1NC(=O)OC(C)(C)C	783854500	UPKUSYUDPIGRTE-LLVKDONJSA-N	313.398	1.962	50	20	DDGD	
CCC(=O)Nc1cccc(C(=O)NNC(=O)C2CCOCC2)c1	883062330	YNRUHGCKDHSYBO-UHFFFAOYSA-N	319.361	1.223	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccccc1S(=O)(=O)CC	887140507	IFDYOYBVBCJEET-UHFFFAOYSA-N	322.386	1.045	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2ncc(F)cn2)c1Cl	784957791	TWWJRHXEBABGSV-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
O=C(NN=C1CCOC[C@H]1CN1CCCCC1)c1cnccn1	787152050	PAZOIOPSJDSIKF-CYBMUJFWSA-N	317.393	1.085	50	20	DDGD	
CC(=NNC(=O)NC(C)C)c1ccc(N2CCNC2=O)cc1	782215807	UUBOYJHRAHJBQC-UHFFFAOYSA-N	303.366	1.648	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccn(C2CCN(C)CC2)n1	786707394	SPBKOGWMNUWOQN-UHFFFAOYSA-N	322.413	1.349	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@H]1CCC(=O)c2cccn21	788726802	BAJMICSHSKKAFR-SNVBAGLBSA-N	308.407	1.300	50	20	DDGD	
COc1cccc(CC(C)=NNC(=O)Cn2nc(C)cc2C)n1	782901074	HVGTXQAQGPROLO-UHFFFAOYSA-N	315.377	1.638	50	20	DDGD	
COCc1cccc(NC(=O)C(=O)NN(C)c2ccccc2)c1	783432611	AWZJKVOOLGDJAQ-UHFFFAOYSA-N	313.357	1.939	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	795586361	DCEVGSZWFCCULN-MELADBBJSA-N	311.426	1.960	50	20	DDGD	
COc1ccc([C@@H]2C[C@H]2NC(=O)NNC(=O)C(C)(C)C)cc1	792930090	XHQRVNNZOURGOP-QWHCGFSZSA-N	305.378	1.928	50	20	DDGD	
O=C(NN=C1CC(=O)N2CCCC[C@H]12)c1cc(Cl)ccc1O	799474557	IKGCRKGXOBFUMV-GFCCVEGCSA-N	321.764	1.916	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)CC(C)(C)C1CCCCC1	792852336	CRBBYEKFTAFXDL-UHFFFAOYSA-N	311.426	1.655	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1c(F)ccc(F)c1OC	798306053	QYPKGZLZWMNWAI-UHFFFAOYSA-N	301.318	1.268	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)Cc2nc(C)cs2)on1	792960605	WASHMGSUGINMCH-UHFFFAOYSA-N	322.346	1.309	50	20	DDGD	
COC(=O)[C@H]1CC[C@H](C(=O)NNC(=O)NC2CCCC2)CC1	797843771	SGQZWZOZKUYFLK-XYPYZODXSA-N	311.382	1.239	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)C(=O)Nc1ccnn1CC	799843038	KMGXJZHVTMDFHZ-UHFFFAOYSA-N	315.377	1.856	50	20	DDGD	
N#C/C(=C/c1ccc(OCC(F)(F)F)cc1)S(N)(=O)=O	798232218	ORPFOGAIPJNTDC-YHYXMXQVSA-N	306.265	1.781	50	20	DDGD	
CSSCCNC(=O)c1nn(C)c(=O)c2ccccc12	791116998	SXNZQWXAKBBBQR-UHFFFAOYSA-N	309.416	1.675	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H]2CCC(F)(F)C2)cc1	794907570	YTRGHXYHNACZMV-NSHDSACASA-N	311.332	1.990	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1c(F)ccc(O)c1F	798170824	HYKASVHCBGTWAX-UHFFFAOYSA-N	306.232	1.094	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCC(F)(F)C1	796370973	OLLNAKVHYCPWIK-ZJUUUORDSA-N	320.336	1.547	50	20	DDGD	
COC(=O)CNC(=O)NN=C1C[C@@H](C)c2c(C)ccc(O)c21	1319928452	OQMJTTFMDUKAHK-SECBINFHSA-N	305.334	1.384	50	20	DDGD	
CC(C)c1cc(NC(=O)C(=O)NNc2ccc(Cl)nn2)no1	1320339142	RVNHJTSYINEBOQ-UHFFFAOYSA-N	324.728	1.323	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNC(=S)NC(C)C)cc1	1324462991	JJZOKBVCRXXYBS-LLVKDONJSA-N	309.435	1.778	50	20	DDGD	
O=C(NNc1ncccn1)C(=O)Nc1nc(C2CCC2)cs1	1324884112	JWVABDUXFVHDFO-UHFFFAOYSA-N	318.362	1.282	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc(Cl)ncc1Cl	1320623098	RUYJUAXKJCFZGE-UHFFFAOYSA-N	307.206	1.906	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1ccc(C(C)(C)C)nn1	1320138641	RFTCAASNRBIBMB-UHFFFAOYSA-N	316.365	1.579	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2F)nn1C	1320828300	HHIBYMWBPHRUKX-UHFFFAOYSA-N	324.743	1.850	50	20	DDGD	
COc1ccc(OC)c([C@H]2C[C@H]2C(=O)NNc2ccn(C)n2)c1	1331514726	WUXJKLVDKMZAQE-DGCLKSJQSA-N	316.361	1.684	50	20	DDGD	
Cc1ccc(Br)c(C(=O)NNC(=O)C(C)(C)C)n1	1332852682	GKDRJESWKWBWIQ-UHFFFAOYSA-N	314.183	1.960	50	20	DDGD	
Cc1cc(COCC(=O)NC[C@@]2(C)C[C@@H]2Br)no1	1337300600	SCOCZCOPFFNXHW-CMPLNLGQSA-N	317.183	1.789	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(F)cc1OCC#C	1341252499	WSXUMDIVSCOYQS-UHFFFAOYSA-N	317.320	1.794	50	20	DDGD	
Cn1cnc(C(=O)OC[C@@]2(C)C[C@H]2Br)cc1=O	1348960424	BHZXNRORNPXRFL-LDYMZIIASA-N	301.140	1.111	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CSCCS1)c1ccccc1Cl	1340017855	AYHONRROLMCRMK-JTQLQIEISA-N	316.835	1.950	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H](C2CCCCC2)C1)c1cn[nH]c1	1351352056	HVGMPPMSUGPFLU-LBPRGKRZSA-N	305.382	1.666	50	20	DDGD	
C=CCN(C(=O)C(=O)NC[C@]1(C)C[C@H]1Br)C1CC1	1351192952	SZHDVKQYPATRKA-MFKMUULPSA-N	315.211	1.453	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@@H](C(=O)O)C2CCCCC2)cn1	1600946031	KHFDDURWULUPJM-SVSAJMPUSA-N	316.361	1.477	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNc1cccc(C(=O)O)c1F	1600979727	UUCMRZSZUDVHHT-UHFFFAOYSA-N	305.265	1.188	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)N[C@@H]1CC12CCNCC2	1601559097	LGUOGJINNFWICY-LLVKDONJSA-N	322.340	1.292	50	20	DDGD	
CC[C@](COC)(NC(=O)[C@H](Br)C(C)(C)C)C(=O)O	1605047199	HIQNLZZFMNEMNM-QPUJVOFHSA-N	324.215	1.792	50	20	DDGD	
Cc1cc(NNC(=O)COCC(=O)O)ccc1Br	1607696011	UFFUMSRHLSNTND-UHFFFAOYSA-N	317.139	1.302	50	20	DDGD	
COC[C@@H](C)OC(=O)/C(C#N)=C\c1ccc(-c2nn[nH]n2)cc1	1605052323	KDIRHOKURNDPNE-QVASGMJFSA-N	313.317	1.352	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C2(C(=O)O)CC=CC2)ccc1C	1604375846	BUTPRSPVJBUPRQ-UHFFFAOYSA-N	318.329	1.646	50	20	DDGD	
CCO[C@H](C(=O)NNc1cccc(C(=O)O)c1)[C@H]1CCOC1	1605586267	BPUSJBNKWRJGSQ-AAEUAGOBSA-N	308.334	1.270	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1cc(C(=O)O)ccc1F	1608128734	BLBNXMUFYNPJNE-UHFFFAOYSA-N	320.280	1.329	50	20	DDGD	
O=C(O)C(=O)NN=C1CCc2cccc(Br)c2C1	1601637639	FUNHXFKSMLIJQX-UHFFFAOYSA-N	311.135	1.495	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cnn(CCF)c2)c(F)c1	1608904885	NTWBFOLPPOZDGZ-UHFFFAOYSA-N	310.260	1.447	50	20	DDGD	
Cc1noc(CCNC(=O)NNc2cccc(C(=O)O)c2F)n1	1608026308	TUDAOQGQRQKHKT-UHFFFAOYSA-N	323.284	1.084	50	20	DDGD	
O=C(NN=Cc1cc(C(=O)O)ccc1Cl)C(=O)N1CCCC1	1610699309	RQVBPYCZWWCAFJ-UHFFFAOYSA-N	323.736	1.111	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CC1(CC(=O)O)CCCC1	1610609229	RAIFHPUQJZLWOE-UHFFFAOYSA-N	307.350	1.211	50	20	DDGD	
O=C(NN=C1CCC[C@H](C2CC2)C1)[C@@H]1CN2CCC[C@H]2CO1	1549320125	YLWCSLTYTKOZSW-BPUTZDHNSA-N	305.422	1.922	50	20	DDGD	
Cc1cccc2c1CCC2=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549320315	ZDQNKXZIQZSJPE-CXAGYDPISA-N	313.401	1.625	50	20	DDGD	
CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cl)COC	1802272661	DJNSSWGBJFLOGT-YVECIDJPSA-N	316.829	1.679	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C(=O)Nc1ccc(C(=O)O)cc1	1610700989	XSDRPVIJEGHKSX-UHFFFAOYSA-N	318.264	1.001	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@H]1C=NNC(=O)c1cccnn1	1552926666	NVYPFTRXTFPWFA-WCQYABFASA-N	314.349	1.186	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@@H]2C=NNC(=O)c2cnccn2)cn1	1552446420	HZNQWLUZVFGRKU-BXUZGUMPSA-N	314.349	1.186	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H](N)CC2CC2)c(Cl)c1	1579720484	XRXXTELFZBTKMC-NSHDSACASA-N	310.785	1.929	50	20	DDGD	
Nc1cnnc(NNC(=O)C[C@@H]2NCc3ccccc32)c1Cl	1580466628	RKKFCWJOLDQQBJ-NSHDSACASA-N	318.768	1.390	50	20	DDGD	
C=C(CBr)CN1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)O	1588606315	WLGDKACRXKGDHX-NXEZZACHSA-N	320.183	1.276	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN1)c1sccc1-c1ccc(F)cc1	1580736254	PWKHWIAVECSPRG-GFCCVEGCSA-N	319.361	1.677	50	20	DDGD	
Nc1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)cn1	1580440210	XZXVYDXANXYSBH-UHFFFAOYSA-N	322.328	1.129	50	20	DDGD	
C[Si](C)(C)OCC(=O)N1CC2(CCCN2C(=O)CC2CC2)C1	1842769877	NRQBSCFAMKLNFU-UHFFFAOYSA-N	324.497	1.841	50	20	DDGD	
CC(C)(C)[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](F)Cl	1847526960	GMFMSBVELPKSBF-NAKRPEOUSA-N	320.792	1.130	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)cc(C)c1/C=C(/C#N)C(=O)NC1CC1	1591838936	HOTXDWTYLYOUQQ-GHXNOFRVSA-N	308.345	1.669	50	20	DDGD	
N#Cc1cccc2[nH]cc(C(=O)NNc3ncccc3C(=O)O)c12	1594628592	FFJHWGHJONXSPB-UHFFFAOYSA-N	321.296	1.890	50	20	DDGD	
COc1ccc(NNC(=O)Nc2ccc(CC(=O)O)cc2)nc1	1599598357	YZRHAWREYYFJNW-UHFFFAOYSA-N	316.317	1.866	50	20	DDGD	
CCO[C@H](C(=O)NNc1ccc(C(=O)O)cc1OC)C1CC1	1596761799	FXHJQGDZYBTVFJ-ZDUSSCGKSA-N	308.334	1.652	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2ccc(C(=O)O)c(F)c2)CCCO1	1594020573	UEGFFRSMBFPCHX-AWEZNQCLSA-N	311.313	1.719	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCOc2c(cccc2C(=O)O)C1	1596859333	AETLKHBXLUALHP-BENRWUELSA-N	316.313	1.550	50	20	DDGD	
CC(=NNC(=O)c1ccc(CO)o1)c1ccc(C(=O)O)cc1	1776097180	PYMUNCGYACEGNH-UHFFFAOYSA-N	302.286	1.624	50	20	DDGD	
C[C@@H](Oc1cccc(C=NNC(=O)c2ncccn2)c1)C(=O)O	1776081517	SGYBRTADWTVVTP-SNVBAGLBSA-N	314.301	1.092	50	20	DDGD	
CCc1cc(C(=O)O)c(C=NNC(=O)[C@H]2CCO[C@@H]2C)s1	1776082209	CWOAPBMSHIFFSS-SCZZXKLOSA-N	310.375	1.884	50	20	DDGD	
O=C(O)Cn1cc(C=NNC(=O)c2cccnn2)c2ccccc21	1776103250	AJFPKMMBEJVKCO-UHFFFAOYSA-N	323.312	1.280	50	20	DDGD	
CC(=NNC(=O)c1nc[nH]c2ncnc1-2)c1ccc(C(=O)O)cc1	1776105334	ZFQDABCHGWECEX-UHFFFAOYSA-N	324.300	1.157	50	20	DDGD	
O=C(O)c1cccc2c(C=NNC(=O)[C@@H]3CCOC3)c[nH]c12	1776058114	GZSTYZNKBOYUNJ-SECBINFHSA-N	301.302	1.353	50	20	DDGD	
O=C(NN=Cc1ccc(O)c(C(=O)O)c1)c1cccc(F)n1	1776094024	XBVRXEZKVVTVTP-UHFFFAOYSA-N	303.249	1.388	50	20	DDGD	
CC(C)CC(=O)NN=Cc1cn(C2CCOCC2)nc1C(=O)O	1776026361	SUOCHYFBNRURPA-UHFFFAOYSA-N	322.365	1.429	50	20	DDGD	
O=C(CSc1nnc(C2CC2)[nH]1)NNC(=O)c1cccs1	14389276	NXGKTFBAFVUZML-UHFFFAOYSA-N	323.403	1.297	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NNC(=O)c2ccccc2)cc1	15736933	YYOXXZOJHFEUNF-UHFFFAOYSA-N	320.370	1.709	50	20	DDGD	
CCN(CC)CCNC(=O)NNC(=O)CCc1ccccc1	158440464	FRCKSIXHFBDRKU-UHFFFAOYSA-N	306.410	1.291	50	20	DDGD	
CC[C@H](COC)NC(=O)NNC(=O)Cc1c[nH]c2ccccc12	163302243	NZBQDFJKMNSIRK-GFCCVEGCSA-N	318.377	1.466	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2c[nH]nc2-c2ccccc2)[nH]n1	151152731	KONOMNNXYZJDRA-UHFFFAOYSA-N	310.317	1.183	50	20	DDGD	
CS[C@H](C)CC(=O)NNC(=O)COc1cc(C)cc(C)c1	155306841	UPHPNGYVDPWOEV-GFCCVEGCSA-N	310.419	1.971	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1ccc(C)cn1	159705223	AAULCSDXNJITEF-UHFFFAOYSA-N	313.357	1.792	50	20	DDGD	
O=C1CCCN1c1cccc(CNS(=O)(=O)CCl)c1	829979710	JIHHXKIGUVSQHK-UHFFFAOYSA-N	302.783	1.429	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1	106752690	FOHOHSRTOXVPNZ-UONOGXRCSA-N	305.378	1.929	50	20	DDGD	
COc1cc(CC(=O)NNC(=O)CC(C)C)cc(OC)c1OC	10160393	VFYLOZUBLHTZTM-UHFFFAOYSA-N	324.377	1.448	50	20	DDGD	
CC(C)N1CCC[C@@H](CNC(=O)NNC(=O)OC(C)(C)C)C1	105274503	FXDFHTXOSLIIJS-LBPRGKRZSA-N	314.430	1.846	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCn1cccn1)c1ccccc1	110963102	OEEDUPWOURTLKJ-AWEZNQCLSA-N	300.362	1.614	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1ccc(OCCC(C)C)cc1	55555453	POSWBNQZWVTGHB-UHFFFAOYSA-N	316.379	1.661	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2cc(C#N)c[nH]2)c1	175071007	SYVKEZQPGQXSMI-UHFFFAOYSA-N	312.329	1.343	50	20	DDGD	
C[C@H](CSCc1ccccc1)C(=O)NNC(=O)CN(C)C	178811048	CANWXZUYJPAXAF-GFCCVEGCSA-N	309.435	1.265	50	20	DDGD	
C#CCCCCC(=O)NNC(=O)[C@H]1COc2ccccc2O1	179629446	KLLACSPCTAMFBG-CQSZACIVSA-N	302.330	1.167	50	20	DDGD	
O=C(NNC(=O)C1(c2ccc(F)cc2)CCOCC1)NC1CC1	64900245	BJOOBHVIGCTFRC-UHFFFAOYSA-N	321.352	1.367	50	20	DDGD	
Cc1ccc(-n2nc(C(=O)NNC(=O)C3CC3)c3c2CCC3)cc1	29754859	KECTYFHMTYBPPB-UHFFFAOYSA-N	324.384	1.840	50	20	DDGD	
CCN(CC(=O)NNC(=O)C1CC1)[C@@H](C)c1ccc(F)cc1	112977209	CZUXQFJGLZZCJY-NSHDSACASA-N	307.369	1.766	50	20	DDGD	
C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2cccc(B(O)O)c2)o1	405022240	XRUKIDDTPXDGEN-NHYWBVRUSA-N	313.162	1.654	50	20	DDGD	
O=S(=O)(CCl)NCc1ccccc1CN1CCOCC1	111000769	CMNJZOPGWKMMST-UHFFFAOYSA-N	318.826	1.135	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)NCCC(F)F)c1	1348451347	HSZFKLGTQUTOMU-UHFFFAOYSA-N	315.320	1.668	50	20	DDGD	
C#CCCCCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	179872707	UAEKFKBXUDIXJZ-UHFFFAOYSA-N	315.373	1.583	50	20	DDGD	
Cc1cc(NNC(=O)Cc2cccc([N+](=O)[O-])c2)nc(C)n1	173832101	CGNIUJWDPDPWIK-UHFFFAOYSA-N	301.306	1.687	50	20	DDGD	
CC(C)N(C)CC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	67570660	QDVUPRGNLQVRHV-NSHDSACASA-N	311.357	1.081	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCc1c(C)noc1Cl	126823699	JHFMXSIUEMJKAJ-UHFFFAOYSA-N	302.762	1.700	50	20	DDGD	
O=C(NC[C@H]1CCCO1)NNC(=O)Nc1cc(F)cc(F)c1	68871617	MUKGLBSTSDLODA-LLVKDONJSA-N	314.292	1.480	50	20	DDGD	
CCc1c[nH]c(SCC(=O)NNC(=O)c2ccc(F)cc2)n1	129060107	YBNPUPLVJACODM-UHFFFAOYSA-N	322.365	1.665	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cc(Br)c[nH]1	122529096	OCQQTTFHJWTWHJ-UHFFFAOYSA-N	300.091	1.463	50	20	DDGD	
N#Cc1ccc(NNC(=O)Nc2cc(C(N)=O)ccc2F)cc1	186323832	PDPDHLKPMGOZEJ-UHFFFAOYSA-N	313.292	1.945	50	20	DDGD	
COc1cccc([C@@H](C)CC(=O)NNC(=O)Cc2cc[nH]n2)c1	186156330	DHCWWDHNUKYGIN-NSHDSACASA-N	316.361	1.302	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)NN)cc1	121202854	WXKZGSOWFRLXCT-LBPRGKRZSA-N	307.419	1.489	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)[C@H]1CC12CCOCC2	124496269	OBHXIVLLASLDPA-MRVPVSSYSA-N	316.283	1.755	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(C)n(C2CC2)c1C	123051206	SBZNXZZYCZVQTP-UHFFFAOYSA-N	308.382	1.420	50	20	DDGD	
O=C(C[C@H]1C=CCCC1)NNC(=O)[C@@H]1COc2ccccc2O1	186039307	CLELTFJDRHSLML-WFASDCNBSA-N	316.357	1.720	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2cncc(Cl)n2)cc1C	128237741	DBHJWRZBEYTHDL-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
COC(=O)C[C@H](C)SCC(=O)NNC(=O)c1ccccc1	78816850	UAWDCVJYLVLGRW-JTQLQIEISA-N	310.375	1.132	50	20	DDGD	
CCCC(=O)N1CCC[C@@H]1C(=O)NNc1nnc(C2CC2)s1	184488393	ZRLUWHMGJVXFOJ-SNVBAGLBSA-N	323.422	1.650	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)NC1Cc2ccccc2C1	189978797	RPZVJIUXGYPKGG-UHFFFAOYSA-N	308.345	1.523	50	20	DDGD	
O=C(NNc1ccccc1C(F)(F)F)C(=O)Nc1ccon1	186409660	ZRXHSPUKRRHTLV-UHFFFAOYSA-N	314.223	1.775	50	20	DDGD	
CC(C)[C@]1(C)C[C@@H]1C(=O)NNC(=O)Cc1cn2ccccc2n1	186658010	GTLHDKQAEGUXRN-DYVFJYSZSA-N	314.389	1.706	50	20	DDGD	
O=C(Cc1cccc(F)c1F)NNC(=O)NCC(F)(F)F	88255086	SQSRFTAQBTZNAZ-UHFFFAOYSA-N	311.210	1.400	50	20	DDGD	
Cc1cccc(NNC(=O)c2ccc(CNS(C)(=O)=O)o2)c1	133112403	GKWZKZHKTMZPJK-UHFFFAOYSA-N	323.374	1.394	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CC[C@@H]1CCCO1	46317346	ABYGJBIGWITUQL-YPMHNXCESA-N	324.352	1.700	50	20	DDGD	
CC(C)COCCCNC(=O)NNC(=O)Cc1ccncc1	83174955	QAOWSIVLDOWQBR-UHFFFAOYSA-N	308.382	1.017	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)/C=C/c2ccc3c(c2)OCO3)n1	192982153	HFULZIWWSIWIHN-GQCTYLIASA-N	312.329	1.979	50	20	DDGD	
CCCNC(=O)/C(C#N)=C\c1cc(OC)c(O)c([N+](=O)[O-])c1	40868964	WLBBGKGPGMENRU-YHYXMXQVSA-N	305.290	1.742	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNc2nc3ccccn3n2)cc1	190622001	UYUQSLFSIRSXJO-UHFFFAOYSA-N	324.344	1.374	50	20	DDGD	
CC(=O)NNC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1	46543579	SSBPLCZCXJKNQN-UHFFFAOYSA-N	307.350	1.743	50	20	DDGD	
CCN(Cc1ccccc1NC(=O)NNC(=O)OC)C(C)=O	45686593	ROVBQEJIIBRTOY-UHFFFAOYSA-N	308.338	1.448	50	20	DDGD	
O=C(NNC(=O)[C@H]1CSCCS1)c1ccc(Cl)cc1	192831623	LDHZNQNJBXIPBQ-SNVBAGLBSA-N	316.835	1.950	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2O)cc1	80446036	KIHQITKEJWSIET-UHFFFAOYSA-N	315.716	1.992	50	20	DDGD	
O=C1CCCC[C@@H](C(=O)NNc2ncnc3ccsc23)N1	194357802	RMKFVRSVQIMYJG-VIFPVBQESA-N	305.363	1.193	50	20	DDGD	
CC1(CNC(=O)NNC(=O)[C@@H]2CCCO2)Cc2ccccc2C1	91931923	IQZPKOIZEVUXOP-AWEZNQCLSA-N	317.389	1.301	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2	247139950	XDLUTQFNRKJMPH-QJPTWQEYSA-N	309.410	1.711	50	20	DDGD	
C[C@H](CBr)CN1CCC[C@H]1CN1CCOCC1	248760207	ULFZLQIRBAMSIY-OLZOCXBDSA-N	305.260	1.814	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)[C@@H](C)OCCOC)c1ccccc1	267155420	IEMZUPDWOPBAIL-OCCSQVGLSA-N	323.393	1.520	50	20	DDGD	
Cc1nc(C(C)(C)C)nc(O)c1C(=O)NNC(=O)C1CCC1	267011801	NLGAQMCCGQCSKD-UHFFFAOYSA-N	306.366	1.349	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1ccccc1Cn1cccn1	263633383	LQHCHGDCFVAEHL-VBKFSLOCSA-N	310.357	1.992	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)CCc1ccc(OC)cc1	266545849	LXBGQNFNABGDFE-UHFFFAOYSA-N	320.389	1.758	50	20	DDGD	
CC(C)(C)OC(=O)N(CC(=O)NNc1cccnn1)CC1CC1	266517732	YXYYCKYJZAOAGB-UHFFFAOYSA-N	321.381	1.567	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)[C@@H]1CCCS1	266595742	ORONFOIDEIPAPV-LBPRGKRZSA-N	304.375	1.079	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)nn1	269161900	UEDARCMFPYBASC-RISCZKNCSA-N	323.422	1.466	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NNc2cc(F)c(F)c(F)c2)C1	278410251	LRKGQKPLILSOLP-MRVPVSSYSA-N	315.295	1.806	50	20	DDGD	
COCCCOCC(=O)NNC(=O)c1cccc2ccccc12	272010161	VTOKOQVJMOBJCW-UHFFFAOYSA-N	316.357	1.654	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc(N2CCNC2=O)c1	273312252	IJDDNDPRVKCWLE-SNVBAGLBSA-N	319.365	1.415	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCCN1C[C@H](C)O[C@@H](C)C1	276712462	QGHYXIAAWBQISS-KBPBESRZSA-N	321.425	1.515	50	20	DDGD	
COc1ccc(S[C@@H](C)C(=O)NNC(=O)C(C)(C)O)cc1	276213154	HIFGONJXBYNHFQ-VIFPVBQESA-N	312.391	1.094	50	20	DDGD	
COC1(CC(=O)NNC(=O)c2ccc3c(c2)OCCO3)CCC1	276633529	XVONJYCOAXPMLK-UHFFFAOYSA-N	320.345	1.178	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ncccc1F)N1CCC[C@@H](C)C1	286743417	OOUKSTMMJQTBIR-NEPJUHHUSA-N	309.389	1.967	50	20	DDGD	
O=C(NNc1ccc(F)cc1)[C@H]1COCCN1CC(F)(F)F	282880673	FGKNDTLAGPSTMZ-LLVKDONJSA-N	321.274	1.532	50	20	DDGD	
CC1CCC(OCC(=O)NNC(=S)Nc2ccccn2)CC1	280792341	PDGKNCMHQUHFDX-UHFFFAOYSA-N	322.434	1.995	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)C(=O)Nc1ccn(C)n1	281797750	CJNLMFRPSMBZSU-UHFFFAOYSA-N	301.350	1.373	50	20	DDGD	
CC(C)(Oc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CCCCO1	295280872	CQOXNJJMDVTSKV-CYBMUJFWSA-N	324.352	1.700	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)COc1ccccc1OC	294183332	AOMHWPDLEZAUGB-ZDUSSCGKSA-N	310.350	1.037	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2CCCC23OCCO3)cccc1[N+](=O)[O-]	807120746	KSOSXCRDJNBQDN-NSHDSACASA-N	321.333	1.890	50	20	DDGD	
CCCCN(C)C[C@H](C)NC(=O)NNC(=O)c1cccc(C)n1	290919134	HILVQSNEODEDPR-ZDUSSCGKSA-N	321.425	1.454	50	20	DDGD	
CCOC1CC(C(=O)NNc2ccc(OC)cc2[N+](=O)[O-])C1	805192088	XTHVCPGJXXSOQB-UHFFFAOYSA-N	309.322	1.862	50	20	DDGD	
COCc1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)cc1	802024865	LUMCSKUINURZJZ-UHFFFAOYSA-N	300.318	1.116	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CN1CCSC1=O	299702773	WAIKUFOKCBENKI-UHFFFAOYSA-N	312.303	1.678	50	20	DDGD	
CCCC[C@@H](C)C(C)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	807965473	XPSLHBSPYHIDOW-ZYHUDNBSSA-N	303.428	1.675	50	20	DDGD	
Cc1cc2c(cc1C)[C@H](C(=O)NNC(=O)[C@@H]1CCCO1)CO2	292048881	BJLIDCNWPDQADW-OLZOCXBDSA-N	304.346	1.106	50	20	DDGD	
Cc1ccnc(C)c1NC(=O)NNc1ccc(-n2ccnc2)nn1	806539318	ONOLANWXGINMBK-UHFFFAOYSA-N	324.348	1.823	50	20	DDGD	
C[C@H]1CCCCN1CCCCNC(=O)NNc1ncncc1F	292581968	AJKIVKLGOYCWMD-LBPRGKRZSA-N	324.404	1.896	50	20	DDGD	
COCCOc1cc(C(=O)N(C)CC(Cl)Cl)ccn1	808245973	KVMWRNAEOOZGST-UHFFFAOYSA-N	307.177	1.983	50	20	DDGD	
COc1ccc(C(=O)CCC(=O)NNC(=O)CC2CC2)cc1	294261590	UHNFOJCIXQYZLW-UHFFFAOYSA-N	304.346	1.606	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)[C@@H]2CCCCO2)cccc1[N+](=O)[O-]	295396333	LXSFWSRLCNBIPY-ZDUSSCGKSA-N	321.333	1.162	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](C)[C@H]1OCCc2sccc21	293581467	WKUZUGZFHUCPIM-JOYOIKCWSA-N	311.407	1.691	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CCCCc1cnn[nH]1	805372723	DGRKUQAMFYCKJT-UHFFFAOYSA-N	318.337	1.877	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)NCc2ccc(N(C)C)cc2)O1	296540539	IYEMNWJKEMXILZ-FZMZJTMJSA-N	320.393	1.151	50	20	DDGD	
CC(C)C[C@@H](C)OC(=O)NNC(=O)COc1ccccc1O	296869765	UPHGVLCIIITXJH-LLVKDONJSA-N	310.350	1.963	50	20	DDGD	
O=C(NNC(=O)[C@H](F)C(F)(F)F)c1cc(Cl)ccc1O	809992211	KTOJRMKWXAONQY-ZETCQYMHSA-N	314.622	1.707	50	20	DDGD	
C[C@H](Sc1ccccc1C(=O)NNc1ccccn1)C(N)=O	801183005	GJVDHHVCYOWJLB-JTQLQIEISA-N	316.386	1.804	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1snnc1C1CC1	290791991	MNQUGSDDWHGOED-UHFFFAOYSA-N	320.349	1.558	50	20	DDGD	
CCC1(NCC(=O)NNC(=O)Cc2ccccc2C)CCCC1	298473513	SMFFMBOZDGQPRT-UHFFFAOYSA-N	317.433	1.997	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc(C(=O)N(C)CC)c1	806775459	BEDNJIWTSXXPES-NSHDSACASA-N	320.393	1.977	50	20	DDGD	
COc1ccc2c(c1)C[C@@H](C(=O)NNc1ncncc1F)CO2	294233180	ZKKSYMGSUMCHDP-SNVBAGLBSA-N	318.308	1.319	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cccc2c1CCC2	807370962	ZYESRIZYDUTVFY-UHFFFAOYSA-N	320.389	1.726	50	20	DDGD	
Cn1cc(C(=O)NNc2ccnc3cc(Cl)ccc23)nn1	809568596	AXRZQIZIEYTAKT-UHFFFAOYSA-N	302.725	1.774	50	20	DDGD	
C[C@@H](CC(=O)NNc1ncccc1F)NC(=O)c1ccccc1	804211584	QXXGEBVAWIPXLN-NSHDSACASA-N	316.336	1.872	50	20	DDGD	
CN1CCC[C@@]2(CCN(S(=O)(=O)CCCCCl)C2)C1	815064405	CWZBXHNCOQJFHV-CYBMUJFWSA-N	308.875	1.753	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@]2(C)CC2(F)F)cc1	817598781	AEAGVRYTWMPRES-ZDUSSCGKSA-N	312.320	1.951	50	20	DDGD	
CC(C)(CO)[C@H](NS(=O)(=O)CBr)C1CC1	810107193	ZGLXTHJUXFTRMT-MRVPVSSYSA-N	300.218	1.055	50	20	DDGD	
COc1cccc(NNC(=O)c2c[nH]nc2-c2ccccn2)n1	810972671	ZNNRQDITMPQTHZ-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)C(C)C)ccc1C(F)(F)F	811678059	QNZQIHGUHCOJES-UHFFFAOYSA-N	324.324	1.979	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNc1ccc(-n2ccnc2)nn1	812559092	PNSCXKXCTHYJHF-QWRGUYRKSA-N	304.354	1.024	50	20	DDGD	
COc1ccc(C=NNC(=O)Cn2nc(C)cc2C)cc1C	812435777	VHPQTGITYVJBEU-UHFFFAOYSA-N	300.362	1.967	50	20	DDGD	
CN(C)c1cc(NC(=O)NNC(=O)c2ccccc2F)ncn1	810217478	FHTMWQLOLXDQPF-UHFFFAOYSA-N	318.312	1.148	50	20	DDGD	
C[C@H](CC(=O)NN(C)C1CC1)S(=O)(=O)c1ccc(F)cc1	819647190	JBTHHXWIQCKDSY-SNVBAGLBSA-N	314.382	1.503	50	20	DDGD	
COc1ncc(C=NNC(=O)c2ccc3c(c2)OCCO3)s1	812224595	PWKOUFAIYQETDM-UHFFFAOYSA-N	319.342	1.687	50	20	DDGD	
NC(=O)c1cccc(NC(=O)NNc2cccc(Cl)n2)n1	814675611	PLGZASNGMLKYFE-UHFFFAOYSA-N	306.713	1.378	50	20	DDGD	
CC(C)NC(=O)NN=Cc1ccc(Cl)cc1-n1cncn1	814820044	RIKNIWTZHPGNEN-UHFFFAOYSA-N	306.757	1.962	50	20	DDGD	
O=S(=O)(CCl)NCC1(N2CCOCC2)CCCCC1	820768866	XJEQXGYNTKLXTG-UHFFFAOYSA-N	310.847	1.137	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@@H]2CCN(C)C2)c1C	729283013	KMDJKAKOGSLEFA-UONOGXRCSA-N	319.405	1.170	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCNC(C)(C)C)c(F)c1	822243063	IDIDZMBRZFJKNH-UHFFFAOYSA-N	311.357	1.834	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NNC(=O)C2CCC2)C1	827215697	BISCDMDDVZNSDP-XYPYZODXSA-N	311.382	1.237	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCC(C)(C)CC2)cc1	726971819	AGBGWOMYKLLQMQ-UHFFFAOYSA-N	303.406	1.878	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCN(C3CCCC3)CC2)cn1	490977817	UTPRWCYZFSJRNQ-GDNBJRDFSA-N	313.405	1.414	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCOC[C@@H](C3CCC3)C2)cn1	491009274	JQPIESMIEGYVPR-UJPCXNRSSA-N	314.389	1.602	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccccc1	827259211	HQZWGDKBLSFOFP-XBFCOCLRSA-N	301.346	1.116	50	20	DDGD	
CC[C@@H]1CC(=NNC(=O)c2cccc(-c3nn[nH]n3)c2)CCO1	820966971	JGKRGYFSXZQCHL-CYBMUJFWSA-N	314.349	1.542	50	20	DDGD	
O=C(NNc1ccccc1C(F)(F)F)C1(n2cnnn2)CC1	820682084	IIVQZZGRZIDTFF-UHFFFAOYSA-N	312.255	1.324	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@H]1Cc2ccccc2O1	826448375	SQTKZHDMUFWXAC-CQSZACIVSA-N	322.328	1.314	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCOC1CCCCC1	825872376	CPGXLMQPLHPDGW-AAEUAGOBSA-N	313.398	1.091	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)C1CCCCCC1	494639338	FOKGANAFWMANCO-UHFFFAOYSA-N	313.398	1.629	50	20	DDGD	
CCN(CCO)NC(=O)CCc1ccccc1C(F)(F)F	823902732	UNOSGQWYTUXZMV-UHFFFAOYSA-N	304.312	1.983	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C	824627722	UOZPAWUSOGXDRS-SECBINFHSA-N	301.387	1.293	50	20	DDGD	
CCO[C@H](CC)C(=O)NNC(=O)COc1ccccc1OC	729297318	GGQAOPUBEDULGG-LLVKDONJSA-N	310.350	1.037	50	20	DDGD	
CC(C)(C)OC(=O)N(CCC(=O)NNc1cnccn1)C1CC1	496233228	BJWARGUYMICOFG-UHFFFAOYSA-N	321.381	1.709	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C[C@@H]2CC[C@H]3C[C@H]23)cc1	822202771	OPXNDRBEOUUTJM-YDHLFZDLSA-N	302.374	1.957	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1CC(C2CCCCC2)C1	584995824	ZTDKYPSQUWHDQL-UHFFFAOYSA-N	305.158	1.158	50	20	DDGD	
C[C@H](C=NNC(=O)c1cccn1C)CNC(=O)OC(C)(C)C	496960134	HOVBZYLTGJXMDK-NSHDSACASA-N	308.382	1.902	50	20	DDGD	
CN(CCCn1ccnc1)C(=O)[C@@]1(C)C[C@H]1Br	907047171	NQUXQJYASWIHTF-PWSUYJOCSA-N	300.200	1.905	50	20	DDGD	
C[C@@H](CNC(=O)c1cc(B(O)O)ccc1F)Cc1cccs1	584950939	LXFNJGFUUGHKGL-SNVBAGLBSA-N	321.182	1.176	50	20	DDGD	
O=C(C/C=C\Cc1ccccc1)NNC(=O)[C@@H]1CCCCO1	823237288	QWXWATVRECFVGK-XVWMLYKFSA-N	302.374	1.892	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)nc(N)n1	828367865	XSDAPUMSYYKVAJ-RKDXNWHRSA-N	319.315	1.892	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(C)n(Cc2ccccn2)c1C	823846580	LFQJRFONXQXYFG-UHFFFAOYSA-N	316.405	1.507	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1n[nH]c(C2CC2)c1Br	823965896	VHAFDXNKPYCBBM-LURJTMIESA-N	317.187	1.007	50	20	DDGD	
CN1CCC[C@@H](CNC(=O)NNC(=O)c2ccccc2F)C1	731123312	ALUDSJBFQIPBHZ-NSHDSACASA-N	308.357	1.112	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(C(=O)C2CC2)CC1(C)C	490813523	PZSXKJYKGKXEBU-JLHYYAGUSA-N	305.378	1.290	50	20	DDGD	
CCOC(=O)c1cc(NC(=O)[C@]2(C)C[C@H]2Br)n[nH]1	907232948	AZGGNOQIAGYRMV-RDDDGLTNSA-N	316.155	1.698	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)N[C@H](C)C[C@H](C)N)c1	831197979	XMBLWFAJWVUUAF-QWHCGFSZSA-N	322.409	1.138	50	20	DDGD	
CCOc1cc(/C=C(/C#N)S(=O)(=O)N(C)C)ccc1OC	588615664	ATUUGLXWQGUOMR-WQLSENKSSA-N	310.375	1.850	50	20	DDGD	
Cc1cc(N2CCCC2)ccc1NC(=O)c1cccc(B(O)O)c1	584925481	WWGZNWLOQOXJTD-UHFFFAOYSA-N	324.189	1.527	50	20	DDGD	
CC(C)Nc1ccc(C(=O)NNc2ccc(C(=O)O)cn2)cn1	833504998	TVVZEHPBUHHROP-UHFFFAOYSA-N	315.333	1.752	50	20	DDGD	
CCn1ccnc1C(C)=NNC(=O)[C@H]1COc2ccccc2O1	834918622	ZWWHKVPSJOVQFF-CQSZACIVSA-N	314.345	1.583	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)[C@H](C)CN1CCC(C)CC1	834932988	MNRRUMPVBOODHL-CYBMUJFWSA-N	320.441	1.425	50	20	DDGD	
CCCCCNC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836196579	KMICTNREZWBVRP-UHFFFAOYSA-N	308.338	1.941	50	20	DDGD	
Cc1ccc(N2CCC[C@H](NS(=O)(=O)CCl)C2=O)cc1	830707136	BMLCAUSXDVYGLB-LBPRGKRZSA-N	316.810	1.606	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cccc2c1CCO2	831764422	YKPYFUVGUICERD-ZJUUUORDSA-N	305.334	1.199	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)[C@H]1CCCCO1)CCO2	834987757	BCJCRJSSRHFXIN-OAHLLOKOSA-N	304.346	1.867	50	20	DDGD	
CC(C)CC1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1	584963514	ZXNKXOSUYQKFAK-UHFFFAOYSA-N	307.174	1.404	50	20	DDGD	
CCO[C@@H]1C[C@H](NCc2ccc(B(O)O)cc2)C12CCCC2	585026435	GYWDHEOEQYDVSU-JKSUJKDBSA-N	303.211	1.194	50	20	DDGD	
O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1cccc(O)c1	915907532	VPALUPOOMDKYPG-UHFFFAOYSA-N	322.328	1.196	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(-c3nn[nH]n3)cc2)nc(C)n1	737280013	IOHQCCYLOZCXQI-UHFFFAOYSA-N	310.321	1.030	50	20	DDGD	
O=S(=O)(CCl)NCCNc1ncc(Cl)cc1Cl	830864131	WOINFVCYHDKFOR-UHFFFAOYSA-N	318.613	1.916	50	20	DDGD	
CN(C)CC(=O)NN=Cc1c(-c2ccccc2)nn(C)c1Cl	734747727	CLMSFMVWNDXPQC-UHFFFAOYSA-N	319.796	1.752	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)[C@H]1CCCCO1)OC	836469335	FDLKMJOZOPHQLX-LLVKDONJSA-N	301.387	1.091	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNC(=O)CC(F)(F)F)c1ccco1	918058734	LLJTZNPUEDAQBO-MRVPVSSYSA-N	322.287	1.165	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNC(=O)Cc1ccccc1OC	838775126	BSVAOUABXNQZGB-OLZOCXBDSA-N	321.377	1.136	50	20	DDGD	
O=C(NNc1cc(O)nc2ncccc12)[C@@H]1CCCSC1	913989791	QEIZWGYNFFZAKX-SECBINFHSA-N	304.375	1.922	50	20	DDGD	
CCCN(C)CC(=O)NNC(=O)c1cc(-c2ccccc2)on1	741212540	UATNQPOSAKDMRA-UHFFFAOYSA-N	316.361	1.444	50	20	DDGD	
CCCNCCNC(=O)NNC(=O)c1cc2ccccc2o1	841961074	JTJKQRVIJLKTNG-UHFFFAOYSA-N	304.350	1.376	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](CC)C(=O)NCc1cccs1	844026894	WHXOZYZIOZDCPY-NHAQELONSA-N	321.402	1.703	50	20	DDGD	
Cc1cc2ccccc2n1CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843640025	AOALCAVJSAHUCJ-GXTWGEPZSA-N	315.373	1.522	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccoc1Br	843657763	RUSKMTFRWKLANM-RNFRBKRXSA-N	317.139	1.228	50	20	DDGD	
CCONC(=O)CNC(=O)NNc1cc(Cl)ccc1Cl	845543571	JXCIGMUQRSUKQP-UHFFFAOYSA-N	321.164	1.687	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cc1cccc(C2CC2)c1	843659904	KEXQZFPJTJLFBK-IAQYHMDHSA-N	302.374	1.679	50	20	DDGD	
CC(C)(C)O[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc[nH]2)C1(C)C	840479526	CJRYFOOKFPLPHS-NWDGAFQWSA-N	322.409	1.941	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=Cc2ccccn2)c1	915052038	DXKXMFPQLRQIEJ-UHFFFAOYSA-N	303.343	1.249	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1cccc2ccoc12	842590781	SIZWIEWWKKUPDB-KOLCDFICSA-N	324.358	1.167	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)CC1CC1)c1cc(OC)cc(OC)c1	842150157	SLNJDEYRZJWYMM-HNNXBMFYSA-N	322.361	1.339	50	20	DDGD	
CC[C@@](O)(CC(=O)NNC(=O)c1c[nH]nc1C)c1ccccc1	840328671	QYKWVZWHVBAJKQ-MRXNPFEDSA-N	316.361	1.167	50	20	DDGD	
N[C@H](CNC(=O)NNC(=O)Nc1cc(F)cc(F)c1)C1CC1	841966011	NPPWYTMBZFUNIZ-LLVKDONJSA-N	313.308	1.038	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H](CN)C2CCCC2)cc1	841984885	GDPZFSRVVATIRU-OAHLLOKOSA-N	318.421	1.711	50	20	DDGD	
C[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)CC1CCCC1	749952677	YFIBOENAYNVUHF-LBPRGKRZSA-N	317.389	1.533	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)OCCN2CCOC2=O)cc1	913229490	IRBHNRPWTPAOBS-RAXLEYEMSA-N	316.313	1.598	50	20	DDGD	
O=C(NCC(F)(F)F)NN=C(CO)c1ccc(F)cc1F	749612720	RIXYBGWJDOGNQC-UHFFFAOYSA-N	311.210	1.523	50	20	DDGD	
COc1ccccc1C1(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)CC1	843648775	RRHINXQTGGMSMG-RYUDHWBXSA-N	318.373	1.299	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)o1	847287635	YCHZYNARQDPVPD-UHFFFAOYSA-N	318.329	1.745	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cn1	748003668	DFOJZZCWRBVZQT-UHFFFAOYSA-N	303.234	1.655	50	20	DDGD	
COc1ccc(O[C@@H](C)CNC(=O)NNC(=O)C(C)C)cc1	743686560	JQYVAUYCYLTRRN-NSHDSACASA-N	309.366	1.449	50	20	DDGD	
O=C(NCC1=CCNCC1)NNC(=O)c1cccc(Cl)c1	841971809	LWAVENIOJSSXSH-UHFFFAOYSA-N	308.769	1.204	50	20	DDGD	
COC(=O)NNC(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C	846627952	LLNMHAZNKBKDNZ-VHSXEESVSA-N	315.370	1.457	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ccnc(N(C)C)c2)n1	747980195	NYASRQFNQMRYRO-UHFFFAOYSA-N	306.757	1.656	50	20	DDGD	
CCN1CCC(N2CCC(C(=O)NN(C)C3CC3)CC2)CC1	848230288	VLDIIEVIVNHTJJ-UHFFFAOYSA-N	308.470	1.308	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(N(C)C)c(F)c1	843645182	LWSMDZSQARZXEB-MWLCHTKSSA-N	309.341	1.078	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)C[C@@H]1CC[C@H]2C[C@H]12	842255787	FIBIOVPGXMHORL-DCAQKATOSA-N	309.391	1.213	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)COc2cc(C)cc(C)c2)[C@H]1OC	841607139	RAKQGLCGYFBCOQ-NVXWUHKLSA-N	320.389	1.978	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNc1cccc([N+](=O)[O-])c1C	845857292	XKLFSAXFTBKHIL-UHFFFAOYSA-N	308.338	1.509	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@@H]1CCN(Cc2ccccc2)C1	847620144	HMPKDJKUPCIEJB-CYBMUJFWSA-N	315.352	1.581	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCc1nc2ccccc2[nH]1	843643218	CFXSUKLXHLLHHU-GHMZBOCLSA-N	316.361	1.068	50	20	DDGD	
CC(=NNC(=O)c1nnc(O)c2ccccc12)[C@H]1CCOC1	741758635	MUGIJPMNVDQWHD-JTQLQIEISA-N	300.318	1.478	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(O)nc2ccccc12	843638920	FFHRRTVXKXIYQY-NXEZZACHSA-N	315.329	1.126	50	20	DDGD	
CC[C@@H](N)CNC(=O)NNC(=O)Nc1ccc(C)cc1Cl	842003370	AQMLZOQYDKGZSX-SECBINFHSA-N	313.789	1.721	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cnc(Br)cc1C	757629377	NASOUDZTNZHGHO-UHFFFAOYSA-N	301.144	1.715	50	20	DDGD	
NC(=O)c1cc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)co1	758998806	ZAKRRQPMOFYJBJ-UHFFFAOYSA-N	321.720	1.036	50	20	DDGD	
C[C@H](CN(C)C(=O)NNC(=O)c1cn[nH]c1)c1ccccc1	858704287	PDRUKWHRYQTGAJ-LLVKDONJSA-N	301.350	1.500	50	20	DDGD	
Cc1ncc(NC(=O)NNC(=O)c2cccc3ncccc23)cn1	756368191	PSACNVWHRXUZES-UHFFFAOYSA-N	322.328	1.800	50	20	DDGD	
CCOC(=O)N1CCC(C)(C=NNC(=O)c2cc[nH]n2)CC1	853391660	VYFSEZRMGIHQOY-UHFFFAOYSA-N	307.354	1.384	50	20	DDGD	
CC(C[C@H]1CCOC1)=NNC(=O)CNC(=O)c1cccs1	751524622	BECZOXSGUYPVHS-LLVKDONJSA-N	309.391	1.397	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@H]2CCCc3nn(C)cc32)cn1	857935192	BHFWRDJBMKNCNG-ZDWRTJATSA-N	310.361	1.254	50	20	DDGD	
CC(C)Cn1nccc1C(=O)NNC(=S)N[C@H](C)C1CC1	855095615	NEYLFIKQPHCKFJ-SNVBAGLBSA-N	309.439	1.447	50	20	DDGD	
COC[C@H](C)Oc1ccc(C=NNC(=O)c2cc[nH]n2)cc1	853391676	WMKYIMVFEKJJQT-NSHDSACASA-N	302.334	1.587	50	20	DDGD	
O=C(NNc1nccc(N2CCOCC2)n1)C12CCC(CC1)C2	753430890	QCJYAMHPRJKQDU-UHFFFAOYSA-N	317.393	1.337	50	20	DDGD	
COc1cccc(C(C)=NNC(=O)C(=O)Nc2ccccn2)c1	758379681	DMDPAJHGBUQSTI-UHFFFAOYSA-N	312.329	1.569	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)CC2(C#N)CCCCC2)n1	854231207	CDVIKJOFIGEECX-UHFFFAOYSA-N	317.393	1.512	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)c2ccco2)cc1	751618536	RYEVLIBAAUFJRB-UHFFFAOYSA-N	304.375	1.977	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2c(C)nn(C)c2C)cc1F	850704632	LGVRTWPJTMLFLS-UHFFFAOYSA-N	319.340	1.566	50	20	DDGD	
CC[C@H](CC(=O)NNC(=O)c1cc[nH]n1)c1ccc(OC)cc1	855357862	RYLLTNWIZJMGNB-LLVKDONJSA-N	316.361	1.763	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCOCC2)s1)c1cc[nH]n1	853392608	NWLLYZKEGHNYOU-UHFFFAOYSA-N	305.363	1.072	50	20	DDGD	
CCSc1ccc(CC(=O)NNC(=O)c2c[nH]nc2C)cc1	751927323	PKBQJYDGCDYHLP-UHFFFAOYSA-N	318.402	1.834	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1nc2ccc(OC)cc2s1	755321382	NXOGOEREXCWOFA-UHFFFAOYSA-N	324.362	1.494	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2nccnc2C)c(C)c1	856791671	BEXFIFOQFSAUEP-UHFFFAOYSA-N	313.361	1.275	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc2nn(C(C)C)cc2c1	756785577	GHMOLVYXAORKDA-UHFFFAOYSA-N	305.338	1.416	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)N[C@H]1CC[C@H](O)CC1	853897582	MDYJRTKBRBGEPC-CZMCAQCFSA-N	312.301	1.664	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21	931163547	GZIHBCNSTONQGV-AIDNBVJZSA-N	314.385	1.895	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C1(F)CCOCC1)c1ccccc1	865696025	SUIPVWURQWCTQB-ZDUSSCGKSA-N	308.353	1.846	50	20	DDGD	
CC[C@]1(C(=O)NC[C@]2(C)C[C@@H]2Br)CCNC1=O	869357371	QMRZLGVDQJRWQA-UWJYBYFXSA-N	303.200	1.192	50	20	DDGD	
CCCOc1ccc(NC(=O)C(=O)NNC(=O)C(C)C)cc1	763821548	SJPQNCJFBAVAJE-UHFFFAOYSA-N	307.350	1.217	50	20	DDGD	
O=C(C[C@@H]1OC(=O)c2ccccc21)NNc1ncc(F)cn1	760905942	CTBCYZKRIKWAPO-NSHDSACASA-N	302.265	1.361	50	20	DDGD	
CCOc1nc(C(F)(F)F)ccc1C(=O)NNC(=O)C(C)C	760064699	CRELRJNYURQWNA-UHFFFAOYSA-N	319.283	1.916	50	20	DDGD	
C[C@@H](NNC(=O)C1CN(C(=O)OC(C)(C)C)C1)C(F)(F)F	862318598	RMOSUQIXXQUNFT-SSDOTTSWSA-N	311.304	1.425	50	20	DDGD	
CCC(=O)N1CC[C@@H](NS(=O)(=O)CC(C)(C)CCl)C1	866966209	YYADLIUWMKXBIR-SNVBAGLBSA-N	310.847	1.182	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1ccc(C(=O)OC)cc1	767779407	LOOJXQUUCMUUCE-UHFFFAOYSA-N	307.350	1.533	50	20	DDGD	
C=CCOc1ccc(C=NNC(=O)[C@@H]2CCC(=O)N2)cc1Cl	863148568	FEULZLDYIIRUGD-LBPRGKRZSA-N	321.764	1.634	50	20	DDGD	
COc1ccc(CC(C)=NNC(=O)c2cn[nH]c2)cc1OC	863156353	XMJFPTAIPJZVEI-UHFFFAOYSA-N	302.334	1.775	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1cc(C)n(C(C)C)c1C	869911498	GNPCFWGLMATQEX-UHFFFAOYSA-N	311.382	1.110	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNc2nc3ccccc3[nH]2)c(O)n1	768504507	KEJWDNZKPHGXOS-UHFFFAOYSA-N	312.333	1.361	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cc3c(s2)CCC3)CCO1	769736217	SRVXTKVHQXXKDA-KOLCDFICSA-N	323.418	1.748	50	20	DDGD	
CNC(=O)/C(C#N)=C\c1ccc(OCCN2CCOCC2)cc1	864365280	RXNCVLXDNSAHCZ-QINSGFPZSA-N	315.373	1.051	50	20	DDGD	
CCc1cccc(CC)c1S(=O)(=O)NNC(=O)c1cn[nH]c1	863414028	PUHAZIGHLZIRMC-UHFFFAOYSA-N	322.390	1.158	50	20	DDGD	
CCO[C@@H](C(=O)NNc1ccc(C(=O)OC)cc1F)C1CC1	861940091	LLZDHZCWZDUIQF-CYBMUJFWSA-N	310.325	1.871	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1cnn(-c2ccccc2)n1	768504494	JWHDEQHTUZLUHJ-UHFFFAOYSA-N	319.328	1.901	50	20	DDGD	
Cn1cc(C(=O)NNc2cc(C#N)cc(Cl)n2)ccc1=O	768713842	QOPXSNJOERNILX-UHFFFAOYSA-N	303.709	1.062	50	20	DDGD	
Cc1ccn2ncc(C(=O)NNC(=O)CNc3ccccc3)c2c1	766834161	MEVCSLAHGLERHB-UHFFFAOYSA-N	323.356	1.516	50	20	DDGD	
CCOC(=O)c1nn(C)cc1C=NNC(=O)c1ccc(C)o1	769791901	DXFIARZQRAACRE-UHFFFAOYSA-N	304.306	1.262	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)C1)c1nc2ccccc2s1	872438501	WQYGBZPKVHKRPB-UHFFFAOYSA-N	309.372	1.201	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc(C)c(C)s1	871595666	GNOPZOLDWJWWIY-UHFFFAOYSA-N	315.464	1.853	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H]2CNC(=O)C[C@H]2C(F)(F)F)c1	878097116	TZNDUWPJWUXDGH-WDEREUQCSA-N	315.295	1.753	50	20	DDGD	
COC1(C=NNC(=O)c2ccc3c(c2)OCO3)CCOCC1	761742601	BHMLANWCHRFZNK-UHFFFAOYSA-N	306.318	1.327	50	20	DDGD	
COC(=O)C(=O)NN=C1CCOc2c(Cl)cc(Cl)cc21	1116189773	YGOUPZUVPQWYTB-UHFFFAOYSA-N	317.128	1.769	50	20	DDGD	
COCCOc1cccc(CC(=O)NNc2ccc(F)cn2)c1	874649330	LHPQOZMRSVNJDK-UHFFFAOYSA-N	319.336	1.932	50	20	DDGD	
CC[C@@H](NNC(=O)COCCOC)c1ccc(F)cc1F	871895857	AMKGJLZMEWNDLR-CYBMUJFWSA-N	302.321	1.700	50	20	DDGD	
CN1CCC(C=NNC(=O)c2cc(Br)c[nH]2)CC1	872339690	UUSWQUHUQAXHFH-UHFFFAOYSA-N	313.199	1.835	50	20	DDGD	
O=C(CNC1(C2CC2)CCOCC1)NNC(=O)c1cccs1	1117100629	JNFQVVNMPPREJQ-UHFFFAOYSA-N	323.418	1.058	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1cccc(C(=O)CC)c1	772854931	DRZJPFWCLFPDHP-UHFFFAOYSA-N	313.379	1.182	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](N)c1cccc(C(F)(F)F)c1	876884989	MXQNXUITOXUJJE-JTQLQIEISA-N	318.299	1.398	50	20	DDGD	
O=C(CN1CCC[C@@H]1c1ccc[nH]1)NNC(=O)c1cccs1	777604536	IAPTVXQFNGHZAJ-GFCCVEGCSA-N	318.402	1.674	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1cn(C)cn1	772956097	VNWVECYUFKRMEV-VIFPVBQESA-N	322.752	1.302	50	20	DDGD	
COC(=O)[C@H]1CCCC[C@@]1(C)NS(=O)(=O)CCCCl	882019660	QBQPETARPZMNPB-ZYHUDNBSSA-N	311.831	1.657	50	20	DDGD	
CCOCc1nc([C@@H](C)NS(=O)(=O)CCCCl)no1	882205267	JJHTVYADNPGGIO-MRVPVSSYSA-N	311.791	1.215	50	20	DDGD	
Cc1cccc(CC(=O)NNc2nc(O)c3cnn(C)c3n2)c1	770980130	NCEHIQVKERHMDG-UHFFFAOYSA-N	312.333	1.063	50	20	DDGD	
C[C@H]1CC(=NNC(=O)C(=O)NCc2ccc(Cl)cc2)CCO1	773207730	JKYCFMRXFBCAMS-JTQLQIEISA-N	323.780	1.627	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNc1ccccc1C(=O)OC	777827704	IDJKLGXMPFMZMP-UHFFFAOYSA-N	321.377	1.613	50	20	DDGD	
CCc1nc(C(=O)NNc2ccc(C(F)(F)F)nn2)co1	773484404	XICVJRCBSLDDJP-UHFFFAOYSA-N	301.228	1.803	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@]12CCc1ccccc12)c1cccnn1	882059406	WISXFOXTEKAMJK-SUMWQHHRSA-N	308.341	1.142	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CO[C@@H]1CCC[C@H](C)C1	772115254	NEJOLKHSZVZDKW-SDDRHHMPSA-N	314.382	1.071	50	20	DDGD	
CN(C)c1nccc(CNC(=O)NNc2ccc(Cl)nc2)n1	776069371	ONSGTJMPAGZERJ-UHFFFAOYSA-N	321.772	1.417	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1c(-c2ccccn2)noc1C	887145817	SKSPYBJTXDJIOY-UHFFFAOYSA-N	312.329	1.610	50	20	DDGD	
CC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)c1cccnn1	883316278	RJVRXMDBBMJYOH-ZDUSSCGKSA-N	313.361	1.442	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)C1CCOCC1)c1ccccc1	883231922	WHEWRZPQETYBBM-AWEZNQCLSA-N	305.378	1.895	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)c1	787133636	HTOSDKIKQCHZQG-VHSXEESVSA-N	309.341	1.569	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CCC[C@@H]2OC)cc1	1120647178	DSROMVBYZPPQGZ-OLZOCXBDSA-N	307.350	1.663	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCc2c(C(=O)OC)cccc21	888671981	CVPOTDQRYMGSFI-KHPPLWFESA-N	300.314	1.806	50	20	DDGD	
O=C(CC(F)(F)F)NN=C1CCOC[C@H]1CN1CCCCC1	787154515	VTWYGLUQJURFRF-LLVKDONJSA-N	321.343	1.933	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(C)n([C@H](C)C2CC2)n1	887146780	KZILAUIGQJSBGZ-GFCCVEGCSA-N	302.378	1.727	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21)c1cc2ccccc2cc1O	891823333	QKLWIMYIWBFGNE-HFBAOOFYSA-N	324.336	1.532	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@H]2CCCN2C(C)C)n1	896669445	YFRODSMSUMOVIF-CYBMUJFWSA-N	320.441	1.639	50	20	DDGD	
COc1cc(NNC(=O)N[C@H]2C[C@H](C)OC2=O)ccc1Cl	896359227	LPVMRXYKISBRPC-XVKPBYJWSA-N	313.741	1.679	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C(C)(C)C1CCOCC1	899997317	PFHSLNSUTBJTIJ-UHFFFAOYSA-N	301.456	1.733	50	20	DDGD	
O=C(NN=Cc1ccc([N+](=O)[O-])cc1Cl)c1cnccn1	783823771	IUHRCAPOGGFITM-UHFFFAOYSA-N	305.681	1.802	50	20	DDGD	
CSc1ccc(NC(=O)C(=O)NNc2ccc(C)nn2)cc1	783953911	RQAZHSKQPSXMQB-UHFFFAOYSA-N	317.374	1.589	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CN(C)CC(C)(C)C)c1O	895844659	NONAVLZPDLTKGX-UHFFFAOYSA-N	323.393	1.140	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C/c1cc2c(cc1[N+](=O)[O-])OCCO2	786043223	UTNCNLYCYIAHHO-BJMVGYQFSA-N	324.314	1.665	50	20	DDGD	
CC(=NNC(=O)C(C)C)c1cc(S(N)(=O)=O)c(C)cc1C	794476437	MJQGPGKPVQQDIK-UHFFFAOYSA-N	311.407	1.447	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1nc(Br)ccc1F	792167059	RDPIFEFGNRTTLK-UHFFFAOYSA-N	316.130	1.544	50	20	DDGD	
CC(C)(C(=O)NNC(=O)Cc1ncccc1F)c1ccccc1	792156652	HQIWTKGATOIORO-UHFFFAOYSA-N	315.348	1.888	50	20	DDGD	
CC(=NNC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccc(O)nn1	790149862	FWKXXGZPYKAROR-JTQLQIEISA-N	318.308	1.629	50	20	DDGD	
CCS(=O)(=O)C[C@H](C)N(C)C(=O)NCCSSC	790877943	FADGLERNNIFTOY-VIFPVBQESA-N	314.498	1.462	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2c(C)cnn2C)cc1C	794886543	ATNDOGUWPKBDTD-UHFFFAOYSA-N	313.361	1.434	50	20	DDGD	
CSSCCNC(=O)N(C)C[C@H]1CCN(C(C)=O)C1	790878130	IBCCDGNZPTZEKU-LLVKDONJSA-N	305.469	1.507	50	20	DDGD	
CC(=O)Nc1ccsc1C=NNC(=O)c1ccc(O)c(O)c1	794557588	FORZUTBTSTWLBW-UHFFFAOYSA-N	319.342	1.882	50	20	DDGD	
CSSCCNS(=O)(=O)c1cnc2onc(C)c2c1	790349567	UEMLSJANKXPCOJ-UHFFFAOYSA-N	319.433	1.821	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)c1ccccc1O)c1cccnc1	798105979	KDWMTZANSJAVGV-HNNXBMFYSA-N	313.357	1.988	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)OCC(=O)c2cnccn2)c1	791605211	ZMJZQZIMUHEVGC-NTUHNPAUSA-N	323.308	1.818	50	20	DDGD	
CC[C@@H](C)n1ncc(NC(=O)C(=O)NNC(=O)C2CCC2)c1C	792265467	BAFNYECHBYTJCX-SECBINFHSA-N	321.381	1.049	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(Cl)ncc1Cl	798307334	PDTOJVJHBUCSQS-UHFFFAOYSA-N	305.190	1.683	50	20	DDGD	
CSc1c(F)cccc1C(=O)NNc1nccn(C)c1=O	798112408	ZSFQLIPJOOLMNT-UHFFFAOYSA-N	308.338	1.398	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc(-c2cccnc2)on1	1317904974	GUZZSCXTMLWSNF-UHFFFAOYSA-N	305.363	1.254	50	20	DDGD	
N#Cc1cccc(C2(C(=O)NNC(=O)c3cccnc3)CC2)c1	1319917353	VWPXCJNIOZAPEF-UHFFFAOYSA-N	306.325	1.446	50	20	DDGD	
Cc1nn(C)c(Cl)c1C(=O)NNc1nncc(N)c1Cl	1319303788	TVDHNYAQSPSUTR-UHFFFAOYSA-N	316.152	1.164	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNc1nncc(N)c1Cl	1319405978	INEDKDJTMXDSOI-UHFFFAOYSA-N	318.724	1.106	50	20	DDGD	
C=C[C@H](COC)NC(=O)NNC(=O)Nc1ccc(OC)cc1	1324643103	CFNASTMEVZXFSO-SNVBAGLBSA-N	308.338	1.232	50	20	DDGD	
CO[C@@H]1CC[C@@H](NC(=O)NNc2ccc3c(=O)[nH]ccc3c2)C1	1324911513	LQNGVVFVUAWZQQ-DGCLKSJQSA-N	316.361	1.722	50	20	DDGD	
Cc1cc(C(=O)NNc2ncccn2)n(C2CCOCC2)n1	1329628125	JFFUEBBJDMIGIO-UHFFFAOYSA-N	302.338	1.090	50	20	DDGD	
N#CCCn1ccc(NC(=O)C(=O)NNc2ccc(F)cc2)n1	1320173149	GKCKZJKHRHMLFX-UHFFFAOYSA-N	316.296	1.018	50	20	DDGD	
CC[C@@H](C)Oc1cc(C=NNC(=O)C(=O)OC)ccc1OC	1322286288	NWLIDDDBHOLEHH-SNVBAGLBSA-N	308.334	1.496	50	20	DDGD	
COc1cc(C)cc2c1OCCC2=NNC(=O)c1cccnn1	1331343848	BVESIHFOEBHWJD-UHFFFAOYSA-N	312.329	1.710	50	20	DDGD	
Cc1ccncc1/C=C\C(=O)NNc1nncc(N)c1Cl	1337682396	MRVXHXIVKPMEAY-IHWYPQMZSA-N	304.741	1.572	50	20	DDGD	
CSC1(CNC(=O)NNc2cccc(C)n2)CCOCC1	1330726732	VXYHLPSROUXFTB-UHFFFAOYSA-N	310.423	1.928	50	20	DDGD	
C[C@@H](Oc1ccc(C=NNC(=O)C2CCOCC2)cc1)C(=O)O	1331993767	HGDSIMVZTYGVNA-LLVKDONJSA-N	320.345	1.415	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CCCC[C@@H]1N(C)C	1251775565	UJSDCLHCYMTTNN-CABCVRRESA-N	318.421	1.812	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1snnc1C(C)C	1336403535	IKOSLWJDZWXRDA-UHFFFAOYSA-N	318.402	1.974	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(Cl)ncc1C	1335455448	SNCOZAADCNTUGG-QMMMGPOBSA-N	313.741	1.146	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CC[C@]2(CCOC2=O)C1	1336358397	VZAKMRLGVBEAOI-GQPJMJRUSA-N	314.316	1.898	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@@H]2CCCC[C@@H]2C1	1261454840	SPLKVPLDVOPNEX-FQUUOJAGSA-N	309.410	1.664	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2cc(C(C)(C)C)nn2C)cn1	1347772384	XOMYERALXRQMHR-WUXMJOGZSA-N	312.377	1.997	50	20	DDGD	
CC[C@@H](C)n1nc(NC(=O)C(=O)NNc2ncccn2)cc1C	1342894482	RGXLWODXZYNQQX-SECBINFHSA-N	317.353	1.034	50	20	DDGD	
O=C(NNC(=O)c1cccc2cccnc12)c1c[nH]c(C(=O)O)c1	1601555709	MIDVNDUBEVGJQX-UHFFFAOYSA-N	324.296	1.336	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)c1c[nH]c2ccccc2c1=O	1602472387	DCFHQNOGAVYVCA-UHFFFAOYSA-N	323.308	1.983	50	20	DDGD	
O=C(NCCc1nccs1)NNc1ccc(C(=O)O)c(F)c1	1601516149	PINHCRDWZKSWIC-UHFFFAOYSA-N	324.337	1.849	50	20	DDGD	
CS[C@@H](C)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1605366474	SVKYBFJVNDGKHX-LURJTMIESA-N	311.371	1.173	50	20	DDGD	
COc1ccc(C(=O)NNc2ncccc2C(=O)O)c(Cl)n1	1604763991	WSZMGPSMBSUDBH-UHFFFAOYSA-N	322.708	1.594	50	20	DDGD	
O=C(O)CCc1ccccc1C(=O)NNC(=O)CC(F)(F)F	1602045186	FJEBSKKHYNCFQH-UHFFFAOYSA-N	318.251	1.417	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)[C@H]1CCCC(F)(F)C1	1606858062	IPLHBZAOPRXXGX-QMMMGPOBSA-N	323.307	1.530	50	20	DDGD	
CC[C@@H](CSC)NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1604039681	OONIJIVRPAOKAG-VIFPVBQESA-N	322.398	1.029	50	20	DDGD	
CCC(=O)N1CCC[C@H](C(=O)NNc2ccccc2C(=O)O)C1	1604859399	FLSIEUOPKRMNKI-NSHDSACASA-N	319.361	1.477	50	20	DDGD	
O=C(O)CCN1CCC(=NNC(=O)c2cccc(Cl)c2)CC1	1602010815	ZOMMZKIEBADHNR-UHFFFAOYSA-N	323.780	1.996	50	20	DDGD	
COCC(=O)NN[C@@H](C(=O)O)c1ccc(C(F)(F)F)cc1	1606774781	ZCWXEBLWSAVFSX-SNVBAGLBSA-N	306.240	1.098	50	20	DDGD	
Cn1cc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1C(=O)O	1608115980	FCVXMLKBYWFKAA-IZZDOVSWSA-N	311.297	1.975	50	20	DDGD	
CC(=NNC(=O)C(=O)O)c1cc(Br)cc(F)c1O	1609549612	PRUKAPLMQJFSTF-UHFFFAOYSA-N	319.086	1.219	50	20	DDGD	
CCC[C@H](OC)C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1604146016	DMHCNOAIBPFTEN-NSHDSACASA-N	324.772	1.778	50	20	DDGD	
O=C(Cc1ccccc1O)NNc1ccc(C(=O)O)c(F)c1	1601369669	MJMWBAPBNDKKRT-UHFFFAOYSA-N	304.277	1.915	50	20	DDGD	
N#CCN(CCC(=O)O)C(=O)/C(C#N)=C\c1ccc(F)cc1	1608184215	RYULFRZWCSFVFM-XFXZXTDPSA-N	301.277	1.560	50	20	DDGD	
O=C(CCc1ccccn1)NNc1cccc(C(=O)O)c1F	1608319508	UVSZCGVNXZWQAW-UHFFFAOYSA-N	303.293	1.995	50	20	DDGD	
C[C@]1(CNc2cc(-c3nn[nH]n3)ncn2)C[C@@H]1Br	1603808177	XVPIARQKCMVJNA-OIBJUYFYSA-N	310.159	1.242	50	20	DDGD	
O=C(NNc1ncccc1F)C(=O)Nc1sccc1C(=O)O	1610700234	PLQPUKXDKYAHQM-UHFFFAOYSA-N	324.293	1.062	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)CCC(=O)O)c1	1611046862	OSNJWEPDCCJQIR-UHFFFAOYSA-N	315.713	1.366	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C[C@H]1CCCO[C@H]1c1ccnn1C	1552452619	GENASGWNMJOOAB-SFDCQRBFSA-N	320.393	1.415	50	20	DDGD	
CSc1ccc(CCCC(=O)NNC(=O)[C@H]2CCN2)cc1	1579388543	XMPNPXUJCOAPCO-CYBMUJFWSA-N	307.419	1.241	50	20	DDGD	
O=C(NNC(=O)c1cccc2c1CCN2)NC1CCCCC1	1580737049	IGCKLUXNHLEBKO-UHFFFAOYSA-N	302.378	1.931	50	20	DDGD	
CC(=O)N1CCC[C@@H](C(=O)NNc2ccc(F)c(C(=O)O)c2)C1	1589066164	FTCGKYQPECXPOV-SNVBAGLBSA-N	323.324	1.226	50	20	DDGD	
CC1(C(=O)N2CC3(CCCN3C(=O)C(Cl)Cl)C2)COC1	1846386413	IZDFXVGUMQLJEC-UHFFFAOYSA-N	321.204	1.030	50	20	DDGD	
C=C[C@@H](NNC(=O)c1ccc(F)cc1Br)C(=O)O	1588700187	FNVXPOXZUOCHER-SECBINFHSA-N	317.114	1.462	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CC(C)(C)C)cc1-c1nn[nH]n1	1592128541	KEYLRKYDSJRJBF-UHFFFAOYSA-N	316.365	1.372	50	20	DDGD	
COc1ccc(CNC[C@@H]2[C@H](C)[C@@H]2Cl)cc1-c1nn[nH]n1	1591598503	VPLXNIUEXHCMKU-KDDOJWQBSA-N	307.785	1.838	50	20	DDGD	
O=C(NNc1ccccn1)c1cc(-c2nn[nH]n2)ccc1Cl	1593166487	ADJJWLQDROAZBS-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
C[C@@H]1O[C@H](C)C[C@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1	1590183071	AKOLQSDNFCTQDH-VDDIYKPWSA-N	302.338	1.123	50	20	DDGD	
N#Cc1cccc(S(=O)(=O)NNC(=O)c2ccccc2)c1	16123768	NVRMKOXGIINDMN-UHFFFAOYSA-N	301.327	1.182	50	20	DDGD	
COCc1cccc(C(=O)NNC(=O)c2ccccc2O)c1	17575251	ZZPIASKFZOTUNB-UHFFFAOYSA-N	300.314	1.613	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)CC1(O)CCCC1	161454280	XJDWWGRDYFJFMB-UHFFFAOYSA-N	306.362	1.167	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1cccc(C#N)c1)c1ccncc1	160432465	RROVZUCTLVCXLT-GFCCVEGCSA-N	308.341	1.908	50	20	DDGD	
CN1CCO[C@H](C(=O)NNc2cccc(Br)c2)C1	152063708	KZYSPFUWBUUZCN-NSHDSACASA-N	314.183	1.223	50	20	DDGD	
CSSCCNC(=O)NCC1(C(=O)O)CCOCC1	397847647	ITWHBRCQHQULPP-UHFFFAOYSA-N	308.425	1.178	50	20	DDGD	
Cc1cc(C(=O)NCCSSCCC(=O)O)cn1C	2088602641	SPUQYQFCHIFAHA-UHFFFAOYSA-N	302.421	1.919	50	20	DDGD	
N#Cc1cccc(S(=O)(=O)NNC(=O)c2ccccc2F)c1	7428892	BYTOBZVHYBPESF-UHFFFAOYSA-N	319.317	1.321	50	20	DDGD	
N#Cc1ccc(CCC(=O)NNC(=O)c2ccccc2O)cc1	10785143	BWZMDVIVQPIEQV-UHFFFAOYSA-N	309.325	1.658	50	20	DDGD	
CN(C)c1ccc(CCNC(=O)NNC(=O)C(C)(C)C)cc1	101614851	IPYMKOMUAVBJKA-UHFFFAOYSA-N	306.410	1.672	50	20	DDGD	
CCNC(=O)CCCC(=O)NNC(=O)CCCc1ccccc1	104897030	NJVLSYCELLOYPP-UHFFFAOYSA-N	319.405	1.463	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN(C2CCCCC2)C1)c1ccc[nH]1	178085781	LIJGLTAUVHGPDT-LBPRGKRZSA-N	304.394	1.430	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](C)CN2C[C@@H](C)C[C@@H](C)C2)nn1	106335239	OBXAUDHGXGQRDK-SCRDCRAPSA-N	320.441	1.778	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN(C2CCCCC2)C1)c1ccc[nH]1	178085772	LIJGLTAUVHGPDT-GFCCVEGCSA-N	304.394	1.430	50	20	DDGD	
CNc1cc(C(=O)NNc2ccc(Cl)nn2)cc(Cl)n1	118500967	KZQXXDJVAWLXLQ-UHFFFAOYSA-N	313.148	1.977	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)C2[C@@H]3CCC[C@@H]23)nc2ccccc21	178088853	XJTMYOWMUHVLMQ-GHMZBOCLSA-N	312.373	1.309	50	20	DDGD	
COc1cccc([C@@H]2CCCN2CC(=O)NNC(=O)C2CC2)c1	112976292	OZIDUNKYUULGEM-HNNXBMFYSA-N	317.389	1.390	50	20	DDGD	
COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)NC2CCCC2)c1C	65920328	QGMAGFZCLJKEJR-UHFFFAOYSA-N	322.365	1.305	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)C1=Cc2ccccc2OC1	65176878	XMFDKZXPOUSXKF-UHFFFAOYSA-N	313.313	1.586	50	20	DDGD	
COC(=O)[C@@H]1CN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)CCO1	177117567	WPRCHNXUEKBJDS-BLXFFLACSA-N	317.301	1.333	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@H]2CCCOC2)c1C	171024929	BLXLDEHGVLEJLH-KBPBESRZSA-N	320.389	1.645	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2CCC[C@@H](F)C2)cc1	1261451281	URUDRMYOHPYNJX-VXGBXAGGSA-N	309.341	1.920	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2c(C)nn(C)c2C)s1	173464593	RXVSFJJHMODRIV-UHFFFAOYSA-N	321.406	1.551	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2CC[C@H](C)C[C@@H]2C)n1	119107514	QKHDOACPHRNOKS-JQWIXIFHSA-N	324.450	1.262	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NNC(=O)C2CCC2)[nH]n1	171875104	BTSGFGVCXCEJAP-UHFFFAOYSA-N	314.345	1.646	50	20	DDGD	
Cc1ccc(C(=O)NNC(=S)NCCc2ccccn2)o1	171105110	UWUUCNBXTXRBHE-UHFFFAOYSA-N	304.375	1.335	50	20	DDGD	
COc1ccnc(NNC(=O)CCc2nnc(C(C)C)o2)n1	176531176	GYGCNYFFWOBNPO-UHFFFAOYSA-N	306.326	1.068	50	20	DDGD	
CC[C@@H]1CCCCN1CC(=O)NNC(=O)Cc1nc(C)cs1	70738211	VJKVOAWAEADUPT-GFCCVEGCSA-N	324.450	1.406	50	20	DDGD	
CC1(C)CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	72827707	XPIXZKFZNXJNSR-UHFFFAOYSA-N	320.349	1.088	50	20	DDGD	
C[C@@H](Oc1cccc(/C=C(/C#N)C(=O)NC2CC2)c1)C(=O)O	71844036	HDWMNMYBLZIXCR-VPMLRQHESA-N	300.314	1.724	50	20	DDGD	
C[C@@H]1CCC[C@@H]1CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	186603215	ZSQDYMCDVQSWHD-JHJVBQTASA-N	302.440	1.305	50	20	DDGD	
CN(NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(N)=O	181062276	KYCHEGBIRZLYHR-UHFFFAOYSA-N	324.340	1.196	50	20	DDGD	
O=C(NNC(=O)c1ccnc(OCC(F)F)c1)c1ccccc1	121752738	DSDRWSSCXLKXNW-UHFFFAOYSA-N	321.283	1.800	50	20	DDGD	
CO[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)Cc1ccc(F)cc1	75100496	UFBCUFYPFOVUFW-UONOGXRCSA-N	323.368	1.656	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2cc(C)nn2C)c1	126836683	NMRNWBQMBDILEG-UHFFFAOYSA-N	316.361	1.185	50	20	DDGD	
O=C(CNC(=O)c1ccccc1)NNc1cccnc1Cl	128447000	SNAQQWISKNTZHO-UHFFFAOYSA-N	304.737	1.608	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2ccc(C#N)cc2)c1	73315353	JZBJMJACMLDZDI-UHFFFAOYSA-N	324.340	1.440	50	20	DDGD	
COc1ccc(CNS(=O)(=O)CCCCl)cc1OC	36881856	PRCRSVJPYGWPSK-UHFFFAOYSA-N	307.799	1.752	50	20	DDGD	
C[C@@H](NC(=O)NNc1nc2ccccn2n1)c1cccc(O)c1	188878762	XQGZNRJIBCMMEI-SNVBAGLBSA-N	312.333	1.822	50	20	DDGD	
O=C(NNC(=O)c1ccc(Br)s1)c1ccc[nH]1	72754043	JYGFLKCWQQTBAQ-UHFFFAOYSA-N	314.164	1.914	50	20	DDGD	
CC[C@H]1CCCCN1CCNC(=O)NNC(=O)OC(C)(C)C	77644857	YTVRVZGOTHGDKG-LBPRGKRZSA-N	314.430	1.990	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNC(=O)C(C)(C)C)Cc1ccccc1	79221204	MRQGZCKMJHESEI-CQSZACIVSA-N	320.437	1.536	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)Cc2ccncc2)cc1F	83064611	WYUZBUHSLXSQHU-UHFFFAOYSA-N	316.336	1.602	50	20	DDGD	
Cc1c(Cl)cccc1OCC(=O)NNC(=O)c1cccn1C	134511976	PQFJPVJWFNSZBA-UHFFFAOYSA-N	321.764	1.827	50	20	DDGD	
Cn1cccc1C(=O)NNS(=O)(=O)c1ccccc1Cl	45499998	MWLWFNYTHRACDO-UHFFFAOYSA-N	313.766	1.302	50	20	DDGD	
CN(C)c1cc(C(=O)NNc2nc3ccccc3c(=O)[nH]2)ccn1	137137101	HXSSLYWHHAIIMI-UHFFFAOYSA-N	324.344	1.141	50	20	DDGD	
Cc1cc(C)cc(CCC(=O)NNC(=O)c2c[nH]nc2C)c1	130079402	OLZIVBOTOVDZDY-UHFFFAOYSA-N	300.362	1.729	50	20	DDGD	
C[C@H](CBr)CN1CCC(N2CCCNC2=O)CC1	134038711	GJDBNVUNLCGKPM-LLVKDONJSA-N	318.259	1.897	50	20	DDGD	
Cn1cc(Cl)cc1C(=O)NNC(=O)CNc1ccccc1	192824321	BZBRCYSUFYYMFD-UHFFFAOYSA-N	306.753	1.552	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cccc2c3c([nH]c12)CCCC3	190054707	DRYAJXIORGDPNZ-UHFFFAOYSA-N	315.373	1.579	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@@H]3COCCO3)cc2C1	47954342	NHVMXKMGUNJMRN-KOLCDFICSA-N	324.402	1.049	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)N2CCOCC2)s1	194897119	GQKMPJZWOIITCH-UHFFFAOYSA-N	312.395	1.091	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2)on1)C1=CCOCC1	192456288	XZZFOJMFWVKDFI-UHFFFAOYSA-N	313.313	1.449	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)Cn1ccc(C)cc1=O	194521338	CKGKTMXCECKZIF-UHFFFAOYSA-N	318.285	1.679	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cccnc2)cnn1-c1ccncc1	90068000	HHYABCUOJNPBQN-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCOc2ccccc2)n1C	142649251	DRKKOSGMSOKRGV-UHFFFAOYSA-N	301.346	1.564	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1cnn(Cc2ccccc2)c1	96953611	DXAFEMWEUVICKT-UHFFFAOYSA-N	309.329	1.334	50	20	DDGD	
Cn1ccnc(NNC(=O)c2csc3c2CCCC3)c1=O	267248400	UEDKGYCATLVLQM-UHFFFAOYSA-N	304.375	1.478	50	20	DDGD	
CN1CCO[C@@H](C(=O)NNc2ccnc3cc(Cl)ccc23)C1	267965930	FKBYKFMFPHGQJB-CQSZACIVSA-N	320.780	1.662	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@@H](NC(=O)NNC(=O)c2ccc(C)o2)C1(C)C	271771367	CVJYCBWQIUSDIA-YUSALJHKSA-N	309.366	1.592	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc(NCC2CC2)nc1	278589976	KHIBUJNVCXYIGS-UHFFFAOYSA-N	313.361	1.317	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NC[C@@]1(C)CCO[C@@H]1C1CC1	368658445	IZLALNPLAJKUSD-IAQYHMDHSA-N	313.398	1.931	50	20	DDGD	
C#CCn1ccc(CN(CC)C(=O)NNC(=O)C(C)(C)C)n1	278935021	JOPSOFIDKWTTNT-UHFFFAOYSA-N	305.382	1.125	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNc1ccccc1OC(F)(F)F	275112735	DLOJNTPKKCWXIU-ZETCQYMHSA-N	321.255	1.773	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNc1nccc(N(CC)CC)n1	270742109	LHBFHOVATMFBRK-UHFFFAOYSA-N	323.397	1.355	50	20	DDGD	
CC(C)(C)[C@H]1CCCN1CC(=O)NNC(=O)c1ccccc1	272102378	NNCPUMJBYVIWOG-CQSZACIVSA-N	303.406	1.958	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O	276780803	VCRFOMFITKQBQH-DTWKUNHWSA-N	316.283	1.290	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H]2CCO[C@@H](C)C2)c1	271860138	DNHVROWLVBMFGC-UONOGXRCSA-N	320.389	1.645	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C1CC(OCc2ccccc2)C1	370322319	CVZJBQDGUWJJAC-UHFFFAOYSA-N	305.378	1.674	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)C(=O)N1CCC[C@H](C)C1	281259605	OXEDOEFCTIHWGV-NSHDSACASA-N	318.377	1.406	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN(c2ccccc2F)C1)c1ccc[nH]1	377882464	FKCKPZOKUFOLAY-NSHDSACASA-N	316.336	1.441	50	20	DDGD	
CSSCCNC(=O)c1cc(Br)nn1C	284230458	VRLLTBKFFITCTL-UHFFFAOYSA-N	310.242	1.924	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)N[C@@H](C)CN1CCOCC1	283113414	XRPOKKXEZHONKY-AWEZNQCLSA-N	320.437	1.904	50	20	DDGD	
CSSCCNS(=O)(=O)c1cn(C)c(Cl)n1	284611457	JHLMNQBFIOGLNV-UHFFFAOYSA-N	301.846	1.363	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@](C)(O)C2CC2)c1C	288454003	TXHDGYQYONMVQB-PXAZEXFGSA-N	320.389	1.379	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1CC(=O)NNc1ccc2c(=O)[nH]ccc2c1	803438781	FUQHOBFCDDUVHY-TXEJJXNPSA-N	314.389	1.844	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1ccnc(C(F)(F)F)c1	298421804	LIEUKWNTWDZIBV-UHFFFAOYSA-N	318.299	1.977	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NN=Cc1ccc(N)nc1	807953730	WXGLYLUUURGSSR-SNVBAGLBSA-N	302.309	1.721	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)c2cccn2C)c([N+](=O)[O-])c1	807099297	QICZCCKWAXIEFJ-UHFFFAOYSA-N	318.289	1.268	50	20	DDGD	
C=C(CBr)COC(=O)C(=O)N1CCC(C)CC1	805566480	KQSRNYRUXLKJGK-UHFFFAOYSA-N	304.184	1.739	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)Cc2ccc(C)nc2)cc1	802056094	ZIOHXBMJLAKGGM-UHFFFAOYSA-N	314.345	1.794	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H](C)[C@@H]1OCCc2sccc21	292730060	MRUZKUWQKSZPMD-CABZTGNLSA-N	311.407	1.737	50	20	DDGD	
Nc1cc(C(=O)NNC(=O)Nc2ccccc2)cc(Cl)n1	801992572	TZLSLSMTSLDAQO-UHFFFAOYSA-N	305.725	1.784	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H](C)CS(C)(=O)=O)cc1	297168165	JDEDPVTZPOQXDZ-JTQLQIEISA-N	315.395	1.145	50	20	DDGD	
CC[C@@H](C(=O)NNc1cccc(F)n1)N1CCO[C@H](CC)C1	804770117	SQVQDTBFYRQRTF-NEPJUHHUSA-N	310.373	1.553	50	20	DDGD	
Cn1nc(C(=O)NNc2ncccc2F)cc1OC(F)F	804212274	NTDTYIQSXIXFOV-UHFFFAOYSA-N	301.228	1.313	50	20	DDGD	
Cn1cncc1CCC(=O)NNc1nc(O)c2ccccc2n1	802752121	OHNJWVUXRAITJS-UHFFFAOYSA-N	312.333	1.145	50	20	DDGD	
CN(C)c1ccc(CNC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	296380692	OWKUXYIPDFZOKF-AWEZNQCLSA-N	320.393	1.152	50	20	DDGD	
O=C(NCc1nc(C2CC2)n[nH]1)NNc1cccc([N+](=O)[O-])c1	298237870	XHDXDKUGNROBKD-UHFFFAOYSA-N	317.309	1.417	50	20	DDGD	
CCCNC(=O)NN=Cc1ccc(S(N)(=O)=O)c(Cl)c1	807966146	SPNQQCHGLWWFEH-UHFFFAOYSA-N	318.786	1.031	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C1(c2ccc(N(C)C)cc2)CC1	293570968	VSCLVOYQABGLKO-UHFFFAOYSA-N	304.394	1.477	50	20	DDGD	
O=C(NC[C@H]1CCCCO1)NNC(=O)c1cccc(Cl)c1	299226974	XUCMBUOKNIPCHF-GFCCVEGCSA-N	311.769	1.853	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cnnc(-c3ccccc3)c2)n[nH]1	810584083	MIAHDKGSBOWLPF-UHFFFAOYSA-N	322.328	1.250	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1ccc(C#N)c(F)c1	810254215	GIANZBSHMNEJMW-UHFFFAOYSA-N	301.281	1.502	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=C1C(=O)Nc2cccc(Cl)c21	814957760	VGCJFCCHGABLDX-UHFFFAOYSA-N	303.709	1.078	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NN=Cc1cn(C)nc1O	814215260	OKBUROWFQKXADB-SECBINFHSA-N	306.297	1.182	50	20	DDGD	
COC1([C@@H](C)NC(=O)NNc2ccc(C)cn2)CCOCC1	817177936	MKICFEGVRVGIEF-GFCCVEGCSA-N	308.382	1.600	50	20	DDGD	
CCC[C@@H]1C[C@H]1C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	812535299	XQXDCVFGKSMHFJ-TZMCWYRMSA-N	317.389	1.826	50	20	DDGD	
Cc1c(S(N)(=O)=O)sc(C(=O)NN(C)C2CC2)c1Cl	819651239	GNQUJAWSGIUUFW-UHFFFAOYSA-N	323.827	1.096	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)Nc1cc(F)cc(F)c1)C1CCC1	813574195	YXDPNICBOUFEBW-AWEZNQCLSA-N	313.304	1.669	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CCc1ncccn1	812960575	QKGOFVPOCRAMHD-UHFFFAOYSA-N	303.274	1.932	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)OCCN2CCNC2=O)cc1	729205010	IEFMAEZRKMNUQO-JLHYYAGUSA-N	315.329	1.171	50	20	DDGD	
CC(=NNC(=O)Cn1nc(C)cc1C)c1ccc(O)c(F)c1	728428513	ZJDOZVVDHRSUQQ-UHFFFAOYSA-N	304.325	1.885	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2cccs2)cn1	726895324	GLYVKAVABMPKRU-UHFFFAOYSA-N	308.388	1.783	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@H](C)c1ccc(F)cc1Cl	828693854	XOYOBNMTSJAPAD-SECBINFHSA-N	315.776	1.933	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)CCCCN(C)C)c1	729286307	KZSSKETWXVXZIU-UHFFFAOYSA-N	323.393	1.197	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H]2CC[C@H](C#N)C2)c(F)c1	824771506	NQULSAOZQZHXQM-GXSJLCMTSA-N	320.324	1.931	50	20	DDGD	
O=C(/C=C/c1cncc(F)c1)NNC(=O)c1ccccc1F	491490291	AEOXGUOAZREYNZ-AATRIKPKSA-N	303.268	1.834	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)C1CC1	494143648	ZQRCECRHZTWWSC-SNVBAGLBSA-N	313.398	1.485	50	20	DDGD	
CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)NN(C)[C@@H](C)CO	823959808	PVOQNNRRMPYSTE-XHDPSFHLSA-N	317.430	1.414	50	20	DDGD	
CSSCCNC(=O)N1CCC2(CC1)COC(=O)N2	495673736	RPUXJVFRSRNCAS-UHFFFAOYSA-N	305.425	1.282	50	20	DDGD	
N#Cc1ccc(Br)c(NNC(=O)[C@H]2CCOC2)c1	825156995	FJJAULBJUOVUGQ-VIFPVBQESA-N	310.151	1.800	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CN1Cc2ccccc2C1=O	729966347	JLESSHYCLCBAAR-UHFFFAOYSA-N	323.352	1.412	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](CCO)COC)cc1	490813153	OKAOQZLDYHKXPB-LTBFUDJGSA-N	318.373	1.506	50	20	DDGD	
CCC1CCC(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CC1	825963457	CSOXIVPTIMDMHI-GFJIZPEISA-N	311.426	1.958	50	20	DDGD	
COc1ccc(O)c(C(=O)NNC(=O)c2ccccc2C)c1	822207594	BVQLEGCQZGGAJW-UHFFFAOYSA-N	300.314	1.784	50	20	DDGD	
CN(C)c1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)ccn1	825875672	USBJXNSNNDHRPU-UHFFFAOYSA-N	324.348	1.085	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C2(C(F)(F)F)CCCCC2)cn1	828088484	WLGMXEUYBDVXDD-UHFFFAOYSA-N	318.299	1.694	50	20	DDGD	
CCc1c(C(=O)NN(C)[C@@H](C)CO)cnn1-c1ccc(C)cc1	823976335	BXSCJTHRQISTGU-ZDUSSCGKSA-N	316.405	1.701	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)/C=C\c1cnc(C(C)(C)C)s1	492027893	CLNFYVSIPFNIGL-SREVYHEPSA-N	311.407	1.372	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(OC)cc1OCC1CC1	492721972	FJXYCXFWSCMEJX-UHFFFAOYSA-N	308.334	1.875	50	20	DDGD	
Cn1ccnc(NNC(=O)[C@@H]2CCCCN2C2CCCC2)c1=O	826620610	RKEYJLPAAZHZKR-ZDUSSCGKSA-N	319.409	1.021	50	20	DDGD	
CC1(C)c2ccccc2CCN1C(=O)c1cccc(B(O)O)c1	584999042	CMQZMEVBBSMXPM-UHFFFAOYSA-N	309.174	1.300	50	20	DDGD	
CC(C)(C)CC(=O)NCC(=O)NNc1cnnc2ccccc12	733811841	PLTPESUFWRCMAL-UHFFFAOYSA-N	315.377	1.625	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H]1CCC[C@H](C(=O)N(C)C)C1	734222532	JYCCFPOKYLQYIE-RYUDHWBXSA-N	312.414	1.010	50	20	DDGD	
O=C(COCc1ccccc1)NN[C@@H](C(=O)O)c1ccccc1	738470192	KJFSMTCYOCWQIJ-MRXNPFEDSA-N	314.341	1.650	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2ccc3c(c2)nnn3C)ccn1	737431117	CQVNEDKZXFAYBL-UHFFFAOYSA-N	323.360	1.193	50	20	DDGD	
C/C=C/C=C/C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	493624158	HEXAXDNLZHFAOF-YTXTXJHMSA-N	309.391	1.512	50	20	DDGD	
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NNC(=O)NC1CCCC1	906438873	POZOOKSLNYZFIQ-NWDGAFQWSA-N	311.382	1.239	50	20	DDGD	
CCOCCONC(=O)NNc1ccc(C(=O)OC)cc1F	838557159	PYCNUKJKJOVBEM-UHFFFAOYSA-N	315.301	1.207	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(C)sc1C	730575700	GHLGYPIJZOEMPC-NSHDSACASA-N	314.432	1.640	50	20	DDGD	
CN1CCN(CC(=O)NNc2cccc(Cl)c2Cl)CC1	838346650	UVPZHRZHGHUCKP-UHFFFAOYSA-N	317.220	1.684	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)N[C@@H](C1CCC1)C1CC1	836688769	LMMGBZKHXQSIFJ-ZDUSSCGKSA-N	303.366	1.418	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)CCc2ccccc2O)cn1	730032978	QAPIOSDJPRLRMU-UHFFFAOYSA-N	309.325	1.162	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)NCC1CC1)C(=O)c1ccccc1	732757883	ZIAOPNUIFHXPBK-NSHDSACASA-N	303.362	1.636	50	20	DDGD	
O=C(c1ccc2nc(C(F)F)[nH]c2c1)N1CC[C@@H](B(O)O)C1	585069415	LXAOOPQHHMOWOP-MRVPVSSYSA-N	309.081	1.189	50	20	DDGD	
Cn1cc(NCc2ccccc2B(O)O)c(C2CCCCC2)n1	585043990	WZBMLVKODQEETC-UHFFFAOYSA-N	313.210	1.760	50	20	DDGD	
CN(C(=O)c1cccc(B(O)O)c1)[C@H]1CCC[C@H]1C(C)(C)C	585001391	XGLGVKFQRLVLPN-CABCVRRESA-N	303.211	1.653	50	20	DDGD	
COC(=O)[C@H](NS(=O)(=O)CCl)c1cc(F)ccc1F	830357717	VSUXNJLIEINIBD-SECBINFHSA-N	313.709	1.295	50	20	DDGD	
COC(=O)[C@]1(C)CCCN(CCI)C1	839666375	LWWBAAADMIVZBO-SNVBAGLBSA-N	311.163	1.697	50	20	DDGD	
CC1(C)CC[C@@H]1NC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836456007	HEUBRUIQLKHYKB-LBPRGKRZSA-N	320.349	1.940	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC(C)C)cc(C)c1OCC(=O)O	832864306	AJZRGGNJJMTHON-UHFFFAOYSA-N	322.361	1.574	50	20	DDGD	
C[C@@H]1CCC[C@@H](NC(=O)NNC(=O)N=c2cc[nH]cc2)CC1	838565934	LEPALLDIFHPINI-VXGBXAGGSA-N	305.382	1.808	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)Nc1ccc2c(c1)OCO2)C1CC1	836347509	ILGLIUNVTLFTPN-VIFPVBQESA-N	320.349	1.797	50	20	DDGD	
Cc1ccc(C#N)cc1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	831382648	QDSKUWUBEGREDA-ZYHUDNBSSA-N	302.334	1.444	50	20	DDGD	
CC(C)C[C@@H]1C[C@H]1NC(=O)NNc1ccc(-n2cccn2)nn1	838754831	PTEYAQAAONZSGC-VXGBXAGGSA-N	315.381	1.723	50	20	DDGD	
CC(C)C[C@H](NC(=O)O)C(=O)NNc1ncccc1Cl	736417972	YVKJGGFSIHMLGL-VIFPVBQESA-N	300.746	1.860	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(OC)cc1Br	837623276	OJWPGAUSYHQRFL-UHFFFAOYSA-N	317.183	1.681	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNC(=O)c1cc2ccccc2o1	839701192	NCYAOWMSTBTWMK-NSHDSACASA-N	318.329	1.783	50	20	DDGD	
O=C1NCC[C@H]1C(=O)NNc1ccc(Br)cc1F	830782449	UCLXGRBDJVGGIB-SSDOTTSWSA-N	316.130	1.167	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccnc(C(=O)O)c2)c(C)o1	832864484	IWTZUAWHCBVYAA-UHFFFAOYSA-N	303.274	1.064	50	20	DDGD	
O=C(NNc1ncc(F)cn1)C1CN(C(=O)C2CCCCC2)C1	836780393	SXASZQYPOKXUNL-UHFFFAOYSA-N	321.356	1.098	50	20	DDGD	
CC(C)N(C)c1ccccc1CNCc1ccc(B(O)O)cc1	585036598	KEXGIBFEAMUPCI-UHFFFAOYSA-N	312.222	1.501	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CN2CCC(C)CC2)c1F	837060781	QLSWPDVSFBXPOB-UHFFFAOYSA-N	323.368	1.787	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(OC(F)F)c(Cl)c1	911439320	MSTBFQMZFMPBIK-UHFFFAOYSA-N	308.712	1.900	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2CCCC(F)(F)[C@H]2O)C[C@@H]1Br	910472963	YYHXAGBTLNHCAA-VEVYYDQMSA-N	312.154	1.825	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](C)OCC2CC2)c1F	837057223	IBLUHILZZXYYKN-VIFPVBQESA-N	310.325	1.871	50	20	DDGD	
O=C(NNC(=O)c1ccc(CO)cc1)c1ccc(Cl)cc1	913108758	LIVDMJBQABLIIY-UHFFFAOYSA-N	304.733	1.907	50	20	DDGD	
O=C(CCc1ccc2[nH]ccc2c1)NNC(=O)[C@H]1CCCCO1	833243970	ZCZBEAJVASMAAQ-OAHLLOKOSA-N	315.373	1.817	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1OC	831057323	GJECFKJHYDGNKZ-MWLCHTKSSA-N	323.349	1.282	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccnc(Br)c1C	836679782	UAOLUTCYIGNCMF-UHFFFAOYSA-N	301.144	1.715	50	20	DDGD	
O=C1CC[C@@]2(C(=O)NNc3ccc([N+](=O)[O-])cc3)SCCN12	747985795	IKBWNMDPFUJQHN-ZDUSSCGKSA-N	322.346	1.103	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(O)c2ccccc2c1	833236679	URHMYMVVYLYCID-HNNXBMFYSA-N	314.341	1.876	50	20	DDGD	
CN(C)CCOc1ccc(C=NNC(=O)c2cnccn2)cc1	915960197	UMUQPJQAHGXKHH-UHFFFAOYSA-N	313.361	1.181	50	20	DDGD	
CC(=NNC(=O)Cn1nnc(-c2ccccc2)n1)c1ccco1	915907463	PNESQGBKKQEZET-UHFFFAOYSA-N	310.317	1.474	50	20	DDGD	
CC[C@@H](O)[C@@H](C)C(=O)NNC(=S)Nc1cc(C)ccc1F	913821989	NZKPKWTVHULEHS-BXKDBHETSA-N	313.398	1.859	50	20	DDGD	
CC(=NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C1CCC1	747628626	WOWWRZOMPHEYJM-UHFFFAOYSA-N	323.418	1.843	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1cccnc1)c1cc2ccccc2o1	749545475	NBVRUSRDZZGLMW-AWEZNQCLSA-N	311.297	1.322	50	20	DDGD	
CCn1cncc1C=NNC(=O)C(=O)Nc1ccc(C)c(C)c1	841614577	PILOOBFJGQACGX-UHFFFAOYSA-N	313.361	1.609	50	20	DDGD	
COc1ncnc(N)c1C=NNC(=O)NCCc1cccs1	747630295	MEJPSTATLFJROK-UHFFFAOYSA-N	320.378	1.005	50	20	DDGD	
CCOc1cccc2c1OCC(C(=O)NNC(=O)N(C)C)=C2	746001890	YGGHWYAILJDUGP-UHFFFAOYSA-N	305.334	1.164	50	20	DDGD	
CC(C)CC(=O)NCCC(=O)NNc1oc(C(C)C)nc1C#N	741682194	XAQCUKXCHQVPDI-UHFFFAOYSA-N	321.381	1.665	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1	846377172	OHBXGCSLVQDAGA-MCIONIFRSA-N	304.346	1.413	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)Cc1cn2ccccc2n1	747638293	KKNCKEJUECYCSC-UHFFFAOYSA-N	310.361	1.377	50	20	DDGD	
CC1(C)C[C@H]1CNC(=O)NNC(=O)Cc1cn2ccccc2n1	746764557	BVACFXZMLHWVKV-NSHDSACASA-N	315.377	1.253	50	20	DDGD	
CCOc1ccc(CC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	843649514	WIESEKVZOHJUBC-BXUZGUMPSA-N	306.362	1.200	50	20	DDGD	
CC(=NNC(=O)Cn1nc(C)cc1C)c1cc2n(n1)CCC2	841611438	RSZIILYYOBZADU-UHFFFAOYSA-N	300.366	1.183	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1nccs1	841644513	KYHGHKQXMQPMPZ-JTQLQIEISA-N	322.390	1.510	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)/C(C)=C\c1ccco1	847518919	WQLPIHDZPOFBKI-KTKRTIGZSA-N	307.350	1.135	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C[C@@H](C)n2ccnc2)cc1	846627941	KXRDZWRHMJMJBM-CYBMUJFWSA-N	315.377	1.402	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccncc1Cl	744509775	UMVSFEGJELARKE-UHFFFAOYSA-N	305.721	1.818	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2ccccc2C)C(=O)OC1(C)C	748546883	PXKYAAMGYZPBPR-UHFFFAOYSA-N	302.330	1.408	50	20	DDGD	
CCCOc1ccc(C(=O)NN=Cc2cnn(C)c2)cc1OC	917213056	XOPVXVQIUCZZEU-UHFFFAOYSA-N	316.361	1.981	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1	914831457	XZTXERWWPNCGLZ-GFCCVEGCSA-N	309.410	1.361	50	20	DDGD	
CNC(=O)NNC(=O)[C@H]1C[C@H]1c1cccc(Br)c1	747414563	FEDOVJNWZVQKGT-UWVGGRQHSA-N	312.167	1.513	50	20	DDGD	
CO[C@@H](C=NNC(=O)COc1ccc(C)c(C)c1)[C@H]1CCOC1	841606427	HFFHZYIRJOEZKA-HOCLYGCPSA-N	320.389	1.836	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2	845081480	OUNZXYDQMPOHNM-HZSPNIEDSA-N	324.384	1.786	50	20	DDGD	
NS(=O)(=O)CCCCCC(=O)NNc1cccc(Cl)n1	846214158	SZTFSAXMGWSGQT-UHFFFAOYSA-N	320.802	1.027	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(F)c(F)c(F)c1	843643738	AGGGBSJJSSASHZ-POYBYMJQSA-N	302.252	1.290	50	20	DDGD	
CC[C@@H](N)CNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	842005163	IGYKYQKYKCWNKD-RRHJKOLHSA-N	308.426	1.271	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CCc2cnccn2)cc1	846375682	HRPXOIBTTQDRCT-UHFFFAOYSA-N	314.345	1.268	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@H]1CCC(=O)C1	843869330	OAPDKJWTNFKANO-ZJUUUORDSA-N	324.764	1.624	50	20	DDGD	
CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NNC(=O)CC(F)(F)F	741427118	WSNYXHHTINSXTE-VDAHYXPESA-N	309.288	1.083	50	20	DDGD	
O=C(CC1CCCC1)NN=C1C(=O)Nc2c1ccc(O)c2F	841622445	SKWZTZJQVBISPX-UHFFFAOYSA-N	305.309	1.884	50	20	DDGD	
CN(C(=O)CNC(=O)NNC(=O)C1CCCC1)C1CCCCC1	748666818	QBUHFDRVWLLYEN-UHFFFAOYSA-N	324.425	1.298	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1cc(Cl)c(OC)cc1OC	840910719	KJJSEOHJWKUFPR-UHFFFAOYSA-N	322.770	1.077	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@H](CN)CC(C)C)c1	841954754	UUOZZTFFMLASQP-ZDUSSCGKSA-N	322.409	1.078	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1sccc1Cl	842590650	QIXLKMFGVAWJRO-RNFRBKRXSA-N	324.811	1.136	50	20	DDGD	
Cc1ncc2n1C[C@H](C(=O)NNc1cc(Cl)ccn1)CC2	845923142	KSIGMWYVUHDWIE-SNVBAGLBSA-N	305.769	1.946	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCSCc1ccccn1	843641937	DQEYWCSYJGKWTM-WCQYABFASA-N	323.418	1.277	50	20	DDGD	
CNC(=S)N(C)NC(=O)C[C@@H](c1ccccc1)c1ncc[nH]1	854920561	DGTNUUVCMNREIN-LBPRGKRZSA-N	317.418	1.399	50	20	DDGD	
Cn1nc(C(=O)NN=C[C@@H]2C[C@H]3C=C[C@H]2C3)c2ccccc2c1=O	755541781	KADWDAMKSOUNLN-AVGNSLFASA-N	322.368	1.861	50	20	DDGD	
O=C(Cn1ccccc1=O)OC[C@H](CBr)C1CC1	859475474	QVIOVWGCUNOQAL-NSHDSACASA-N	314.179	1.813	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)CO[C@@H]1CCCC[C@H]1C)C1CC1	855101102	PQOAWRPGMPKPLM-NQBHXWOUSA-N	313.467	1.876	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1ccc(-c2cnco2)cc1	755283833	BBUKSBKWIKTIFH-UHFFFAOYSA-N	311.301	1.068	50	20	DDGD	
CC(C)COc1ccc(C(=O)NNC(=O)[C@H]2CCOC2)cc1	921202974	NGZOUUZPIKNMIZ-ZDUSSCGKSA-N	306.362	1.519	50	20	DDGD	
CC(Cn1cncn1)=NNC(=O)[C@H](C)CN1CCC(C)CC1	853279587	USQYUGVVSPPFFG-CYBMUJFWSA-N	306.414	1.138	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	859854239	HAGDVUDYDSSGEM-MOUXYMJCSA-N	316.357	1.061	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@H](c1nc(C)cs1)C1CC1	754201265	XDZZFWRTPUCIFY-CABZTGNLSA-N	310.423	1.438	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1cc(C(F)(F)F)nn1C	853000558	DNQOUQOLIHAZSM-RMKNXTFCSA-N	316.283	1.499	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cn2cnc3c2CCCC3)c1	758045991	OUVRYKWOBFQIIW-UHFFFAOYSA-N	312.373	1.532	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cn(Cc2cccc(F)c2)nn1	759127554	HXHSLNBJTGLGPP-UHFFFAOYSA-N	319.340	1.273	50	20	DDGD	
Cn1cncc1CNC(=O)NC[C@@]1(C)C[C@@H]1Br	856857491	CRLAIBNAOWOXLR-GXSJLCMTSA-N	301.188	1.393	50	20	DDGD	
CCOc1ccccc1C(F)(F)C(=O)NNc1cnnn1C	857273581	RGUVUILOWCGVDP-UHFFFAOYSA-N	311.292	1.449	50	20	DDGD	
N#Cc1cc(NC(=O)NNC(=O)CC(F)(F)F)ccc1F	756358211	UZLLGJXWJIECRF-UHFFFAOYSA-N	304.203	1.802	50	20	DDGD	
CCC(=O)N1CC[C@H](NC(=O)NNc2ccc(F)c(F)c2)C1	921484024	BKIMAQNFRQFSKX-JTQLQIEISA-N	312.320	1.602	50	20	DDGD	
Cc1noc(C)c1NC(=O)NNC(=O)COc1ccc(F)cc1	756285610	BAMDVXCQHFJFIA-UHFFFAOYSA-N	322.296	1.662	50	20	DDGD	
Cc1oc2ccccc2c1C=NNC(=O)[C@H](C)NS(C)(=O)=O	758121541	ZDYOJEHPTHMACC-VIFPVBQESA-N	323.374	1.129	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)N2CCO[C@@H]3C[C@@H]32)cc1	852398569	HBVQPRXJXPOZHL-UONOGXRCSA-N	317.389	1.812	50	20	DDGD	
O=C1CN(C[C@@H](CBr)C2CC2)CN1CC1CC1	859284717	OSNGOGMDMKPFFL-GFCCVEGCSA-N	301.228	1.919	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)[C@H]2CCS(=O)(=O)C2)c2ccccc21	752722795	DXRSCHCEJMXHFG-RYUDHWBXSA-N	320.414	1.839	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)CCCc1nccs1)C1CC1	855096979	GXKLLZUOJAFMLZ-VIFPVBQESA-N	312.464	1.760	50	20	DDGD	
CC(Cc1ccc(F)cc1Cl)=NNC(=O)[C@@H]1CCC(=O)N1	863151566	OJYFLCRJZPZIPU-LBPRGKRZSA-N	311.744	1.792	50	20	DDGD	
CC(C)(C)c1ncc(/C=C\C(=O)NNC(=O)c2cn[nH]c2)s1	862471998	DYVYZVXWJYPGGK-PLNGDYQASA-N	319.390	1.638	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(Cc1ccoc1)C1CC1	934001929	LRDMRFBSVUSTDV-LBPRGKRZSA-N	307.394	1.826	50	20	DDGD	
CN(C)c1ccc(CCC(=O)NNc2ncc(F)cn2)cc1	760911579	LZTXPVQZDJHYDJ-UHFFFAOYSA-N	303.341	1.758	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1C[C@H]2CCC[C@H]1C2	934378909	ZMDBAWVEHKBFSG-HOCLYGCPSA-N	315.417	1.559	50	20	DDGD	
CCOc1cccc(CCC(=O)NNC(=O)c2cc(C)[nH]n2)c1	860480345	KCZONKZFVUVMLL-UHFFFAOYSA-N	316.361	1.511	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)[C@H]2CCC(=O)N2)C12CCCCC2	863148982	OANWBZLRETXBEM-DGCLKSJQSA-N	307.394	1.497	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc2c(c1)N(C)CC2	930723566	ZVNKRRZJLAINKH-UHFFFAOYSA-N	300.362	1.635	50	20	DDGD	
Cn1nnc(COC(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)n1	869461005	YVMBAMVDMOIFOK-VAOFZXAKSA-N	315.171	1.207	50	20	DDGD	
C[C@H](NNC(=O)c1cn(CC(=O)C(C)(C)C)nn1)C(F)(F)F	862311942	XETNIGSYKCWIIL-ZETCQYMHSA-N	321.303	1.079	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNC(=O)Cc1ccccc1OC	861764846	CKJYHZICIHUACN-AWEZNQCLSA-N	308.378	1.590	50	20	DDGD	
O=C(Cc1cc(Cl)ccc1Cl)N1CC[C@@H](B(O)O)C1	864230727	DTPIQYVETSSSSJ-SECBINFHSA-N	301.966	1.611	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](C)c1c(C)nn(C)c1C	764463838	JKOVFTQSVVCVSH-QMMMGPOBSA-N	304.354	1.082	50	20	DDGD	
COc1cc(C(=O)NN[C@H](C)C(F)(F)F)cc(OC)c1OC	862303170	LYTFOAPABAUHMA-SSDOTTSWSA-N	322.283	1.898	50	20	DDGD	
COc1cc(OC)c(NCc2cccc(B(O)O)c2)cc1F	864029975	VRBKKIKHJLHZNX-UHFFFAOYSA-N	305.114	1.135	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1ccncc1Cl	768578096	ALNCQGCOHJBWFO-UHFFFAOYSA-N	307.766	1.761	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNc2cc(C#N)cc(Cl)n2)n1	867139485	ZDZCGTQHGDNASF-VIFPVBQESA-N	318.768	1.891	50	20	DDGD	
CC[C@H](Nc1ccccc1)C(=O)NNC(=O)c1cc(C)[nH]n1	768275961	GFBZRHYXDREJML-LBPRGKRZSA-N	301.350	1.370	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1CN(C)C(=O)c2ccccc21)C(F)(F)F	862318907	YYVZLKZDPLGKOZ-GZMMTYOYSA-N	315.295	1.427	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2nc(-c3cccnc3)no2)CCC1=O	764127195	RMQZPUFZZRCTMF-UWVGGRQHSA-N	315.333	1.580	50	20	DDGD	
O=C(NN=C1CCN2CCC[C@@H]12)c1nnc(-c2ccccc2)o1	765573246	XXAYKTUXUMZFCT-ZDUSSCGKSA-N	311.345	1.691	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H]2CCN(CC(F)(F)F)C2)n1	862520109	GQXGLGPGWMDNKY-JTQLQIEISA-N	302.300	1.717	50	20	DDGD	
CC(C)(C)c1ccc(S(=O)(=O)NNC(=O)c2cn[nH]c2)cc1	863413975	OYYVARBRFXFDAK-UHFFFAOYSA-N	322.390	1.331	50	20	DDGD	
O=C(NN=C1CCS(=O)CC1)c1cc(-c2ccccc2)on1	761804373	OHOINCLOKURCGT-UHFFFAOYSA-N	317.370	1.970	50	20	DDGD	
Cc1ccc(NNC(=O)c2cn(CC3(C)COC3)nn2)cc1	760167249	ZMTFGZQVOAFDFT-UHFFFAOYSA-N	301.350	1.380	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1	878780470	LQFMOBVERNKZKR-GFCCVEGCSA-N	309.322	1.589	50	20	DDGD	
COc1ccccc1OCCNC(=O)NN=c1cc[nH]c(C)c1	874991770	NMXIURHWVBUEDA-UHFFFAOYSA-N	316.361	1.526	50	20	DDGD	
CC(C)n1nccc1NC(=O)C(=O)NNc1ccc(C#N)cc1	773701712	ZJXHSJQLRJISQV-UHFFFAOYSA-N	312.333	1.417	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1)c1cn(C)cn1	872337094	UFHSHEBRDXXXHH-AGIUHOORSA-N	321.425	1.006	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@](C)(OC)c1ccccc1	772095579	KNAUCIASGBRIGV-BZNIZROVSA-N	322.361	1.037	50	20	DDGD	
COC[C@H](C)C(C)=NNC(=O)C1CCN(c2ncccn2)CC1	777886205	RPISQCYBODFLEF-LBPRGKRZSA-N	319.409	1.468	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ccnc(N(C)C)c1	777774324	IRNNFISMUKTIBS-UHFFFAOYSA-N	314.345	1.691	50	20	DDGD	
CCOCCONC(=O)NNC(=O)c1cc2ccccc2o1	773358682	JXCJCMVZCCOQFW-UHFFFAOYSA-N	307.306	1.345	50	20	DDGD	
CC[C@@](CC(=O)O)(C(=O)NNC(=O)C1CC1)c1ccc(C)cc1	872831438	ONXJAGNUFCABLG-KRWDZBQOSA-N	318.373	1.675	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(C)(C)C#N	772954066	OUOFXBLDRJFCKB-SECBINFHSA-N	309.753	1.804	50	20	DDGD	
O=C(CSc1ccccc1Cl)NNC(=O)c1ncccn1	770266802	YALSKIAOCYOHKZ-UHFFFAOYSA-N	322.777	1.683	50	20	DDGD	
Cc1nocc1CNC(=O)NNC(=O)c1cc2c(s1)CCC2	875952753	CYRZGKGTMNBBNI-UHFFFAOYSA-N	320.374	1.677	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)N[C@H]1[C@@H]2c3ccccc3CC[C@H]21	875402224	PAGXBEGOCZBJLP-MGPQQGTHSA-N	311.345	1.082	50	20	DDGD	
CN1CCc2cc(C(=O)NNC(=O)c3ccccc3F)ccc21	778286240	KUKZKYNFDACOCR-UHFFFAOYSA-N	313.332	1.893	50	20	DDGD	
C#CCCOc1ccc(C=NNC(=O)C[n+]2ccccc2)cc1	1115894183	ONSPNFOIQFKUBZ-UHFFFAOYSA-O	308.361	1.527	50	20	DDGD	
O=C(NN=C1CCC[C@@H]1F)C1CCN(c2ncccn2)CC1	872349381	RTPAJKUWJUZMGC-LBPRGKRZSA-N	305.357	1.687	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(C)nc(C(F)(F)F)n1	778596743	FSRCRKLDGALAOR-UHFFFAOYSA-N	305.260	1.158	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@H]1CCNC1=O	873853055	KBSDVCVSRSJGCZ-NSHDSACASA-N	320.418	1.011	50	20	DDGD	
C[C@H](O)c1ncc(C=NNC(=O)CCc2ccccc2O)s1	773052238	ARTGFQLYHNAGNR-JTQLQIEISA-N	319.386	1.985	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cccc(Cl)c2O)n1	775767691	GOMYETXYJAEZCI-UHFFFAOYSA-N	308.725	1.910	50	20	DDGD	
COC(=O)C(C)(C)Cc1cn(/C=C\CBr)nn1	881296093	YNKYKIQVIQVNAE-XQRVVYSFSA-N	302.172	1.885	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](O)c1ccc(Cl)cc1F	887149286	QMCUXMIGAZXRIY-ZDUSSCGKSA-N	312.728	1.463	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)C(=O)c1ccc(O)cc1	773708395	YZSUMTQGURBURH-UHFFFAOYSA-N	302.261	1.175	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H]1CCC[C@H](C(N)=O)C1	772854984	XRJLECSEABVBBP-WDEREUQCSA-N	305.382	1.335	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(F)cc1Cl)[C@H](C)S(C)(=O)=O	885137048	MODDRMGAGBSSCY-SFYZADRCSA-N	322.789	1.991	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CN3CCN2C[C@H]3C)c(Cl)c1	1123897322	DCKOWJOKFBZECU-BXUZGUMPSA-N	308.813	1.480	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C2CCOCC2)cnn1CCC(C)C	883066561	BMFDGENXXMEDEZ-UHFFFAOYSA-N	322.409	1.425	50	20	DDGD	
N#Cc1ccc(NNC(=O)NC2CCN(CC3CC3)CC2)nc1	887830181	JDTPGFHVOBHIQQ-UHFFFAOYSA-N	314.393	1.454	50	20	DDGD	
C[C@H](CNC(=O)NNc1ccc(C#N)cn1)CN1CCCC1	887829738	UACRIYHSKGXPGW-GFCCVEGCSA-N	302.382	1.311	50	20	DDGD	
COc1ccc(OCC(=O)NNc2cccc(OC)n2)cc1	780768011	DZNJFRZOMFWCAR-UHFFFAOYSA-N	303.318	1.621	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CC(Oc2ccncc2)C1	787302598	KVHKBVQBUFXASF-NTEUORMPSA-N	321.336	1.984	50	20	DDGD	
CC1(C)CC[C@@H](C(=O)NNC(=O)Cc2cn3ccccc3n2)C1	781693148	JJOHGPFCVFZQSL-GFCCVEGCSA-N	314.389	1.851	50	20	DDGD	
Cc1csc2ncc(C(=O)NNc3ccnc(F)c3)c(=O)n12	781356080	SFTSFVPJGBPMTC-UHFFFAOYSA-N	319.321	1.355	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1O)C(=O)c1ccccc1	792633048	LYGSSYKESRJCJS-UHFFFAOYSA-N	318.716	1.690	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2cc(F)c(F)cc2F)CC1	272714922	DJQJRSGPBQNKDC-UHFFFAOYSA-N	302.277	1.948	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H](C)OCc2ccccc2)n1	794076921	ZTXNNLSNAWTNLP-CYBMUJFWSA-N	313.357	1.756	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNc1nccc(N(CC)CC)n1	795178023	XQFHDDWNBRUTDN-AAEUAGOBSA-N	309.414	1.827	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNC(=O)c1cc(OC)cc(OC)c1	791070646	WZXRCYAFQVHNNO-LBPRGKRZSA-N	319.361	1.450	50	20	DDGD	
CN1CCCC(C)(C)[C@@H]1CNC(=O)NNc1ccc(F)cn1	790541212	IJAHWNCPLZPJEI-LBPRGKRZSA-N	309.389	1.967	50	20	DDGD	
CCN(CC(=O)NNC(=O)Cc1nc(C)cs1)CC1CCC1	796534032	PUWVQTFDHSVWNT-UHFFFAOYSA-N	324.450	1.263	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccnn2CC(F)F)c1	790015725	LSUFJDPTAMAJAD-UHFFFAOYSA-N	324.287	1.692	50	20	DDGD	
CCc1ccccc1OCC(=O)NNc1nncc(N)c1Cl	1319309448	PWUPDFPXOOLKPS-UHFFFAOYSA-N	321.768	1.797	50	20	DDGD	
CCc1ccc(C(=O)NNc2ccn(C)n2)cc1S(C)(=O)=O	1321104148	AMOLKFAAVILVCC-UHFFFAOYSA-N	322.390	1.143	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C[C@H]1CCO[C@@H](C(C)C)C1	1325121739	SKITWTSRWGVERV-NWDGAFQWSA-N	301.456	1.731	50	20	DDGD	
O=C(NNC(=O)c1occ2c1CCC2)c1n[nH]c2c1CCCC2	1325845398	JOABCCXNOHQXEE-UHFFFAOYSA-N	314.345	1.445	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccccc1Cl)c1ncn(C)n1	1325947155	MKFTZVLVBAJEFX-QMMMGPOBSA-N	322.756	1.174	50	20	DDGD	
COC(=O)Nc1ccc(C(=O)NNC(=S)NC(C)C)c(C)c1	1335474747	IFMSCEYTYWPQIF-UHFFFAOYSA-N	324.406	1.691	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)c2cccnn2)[C@@H](C)C1	1333197651	HAHPMOKZBIFKOD-QWRGUYRKSA-N	304.350	1.562	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@@H]1CCCN(CC(F)F)C1	1261868368	JAPGECYRDYGSLM-MRVPVSSYSA-N	319.743	1.550	50	20	DDGD	
CC(C)(O)CN1CCN(C(=O)C2CCC(Cl)CC2)CC1	1345906595	TWNKEXPOTLFBCV-UHFFFAOYSA-N	302.846	1.699	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ncccn2)c(C)n1CC1CC1	1345119335	DZNZYZUHRAEVPV-UHFFFAOYSA-N	313.361	1.380	50	20	DDGD	
C[C@H](O)C1CN(C(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)C1	1263883324	ICTSVBDYGWDMKU-LKAMGYQZSA-N	302.212	1.779	50	20	DDGD	
O=C1NC2(CCN(C(=O)C3CCC(Cl)CC3)CC2)CO1	1528100542	LKWQXLVGSRYTJG-UHFFFAOYSA-N	300.786	1.885	50	20	DDGD	
CN1CCCC[C@H]1CNC(=O)NNC(=O)Cc1ccc(F)cc1	1523448068	JWCZUFLBTUFWSK-AWEZNQCLSA-N	322.384	1.183	50	20	DDGD	
O=C(O)c1cccc2c1OCCN(S(=O)(=O)CCl)C2	1602461722	NEALXMSSBXAQMB-UHFFFAOYSA-N	305.739	1.105	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1(C2CC2)CC1	1606853608	TUKCXVYSLNRIKU-UHFFFAOYSA-N	319.756	1.548	50	20	DDGD	
CCn1ccc(CC(=O)NNc2ccc(C(=O)O)c(Cl)c2)n1	1605927628	LMKDCERIVOMOBZ-UHFFFAOYSA-N	322.752	1.940	50	20	DDGD	
Cc1nccnc1NC(=O)NNc1cccc(C(=O)O)c1F	1600757940	FXRYZIWSCQJVEZ-UHFFFAOYSA-N	305.269	1.771	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)NNc1ccc(C(=O)O)cc1F	1609599224	NESSEEFSQXKTAY-ZDUSSCGKSA-N	323.324	1.368	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)N[C@@H]1C[C@H]2CC[C@@H]1O2	1608483684	WDARBQMDFROVTF-ONOSFVFSSA-N	309.297	1.470	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CC[C@H]3C[C@H](C)CN3C2)c(C)o1	1548616209	ZEVKZHKTXIHOLN-GDLCADMTSA-N	319.405	1.778	50	20	DDGD	
O=C(NN=Cc1cccc2cccnc12)[C@@H]1CN2CCC[C@H]2CO1	1549315470	BPEBQXZWNKWNSC-HOTGVXAUSA-N	324.384	1.548	50	20	DDGD	
Cn1c(=NNC(=O)CC[C@H]2CCCNC2)sc2ccccc21	1579940158	SLLKDWADEWBEMJ-GFCCVEGCSA-N	318.446	1.952	50	20	DDGD	
N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1cc2ccccc2o1	1574284740	WYXAXAHOZKYCDD-AWEZNQCLSA-N	323.352	1.764	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)CCCCCN)N1CCCCC1	1575414752	SQWXHINPULPFED-HNNXBMFYSA-N	312.458	1.163	50	20	DDGD	
O=C(C(Cl)Cl)N1CC2(CCCN2C(=O)c2cnco2)C1	1841731067	NSRCPICHTJRBHV-UHFFFAOYSA-N	318.160	1.295	50	20	DDGD	
O=C(C[C@@H]1CNc2ccccc21)NNC(=O)NC1CCCC1	1580518334	ZTGSEHSTMHKVRE-LLVKDONJSA-N	302.378	1.859	50	20	DDGD	
O=C(c1ccncc1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843362927	MNAOMDAEBDOFNC-NSHDSACASA-N	311.744	1.433	50	20	DDGD	
Cc1cc(C)c(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)c(C)c1	1591946587	PHNMZVHHIWTFCD-UHFFFAOYSA-N	323.360	1.944	50	20	DDGD	
C[C@H](CNC(=O)NNc1cccc(C(=O)O)c1)N1CCCCC1	1592675229	BUKXQCXCNCYCDU-GFCCVEGCSA-N	320.393	1.885	50	20	DDGD	
CC1(C)C[C@@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCO1	1590078496	LPQMLTDJOFLXPQ-NSHDSACASA-N	316.365	1.515	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)CCCC(=O)O)cc1C	1591176219	JIMOTMVFYTUMGN-UHFFFAOYSA-N	308.334	1.870	50	20	DDGD	
C[C@H](NNC(=O)[C@@]1(C(=O)O)C[C@@H]1c1ccccc1)C(F)(F)F	1593318834	KYHLQQORIOYHEX-IYYTYJHQSA-N	316.279	1.817	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccc(C(=O)O)n2C)o1	1592008477	NDPPVNXFNNMUNJ-UHFFFAOYSA-N	317.305	1.463	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cccc(OCC(=O)O)c1	1590233088	OLTKGJWUOFQBJM-UHFFFAOYSA-N	310.306	1.320	50	20	DDGD	
CN(CC(=O)O)C(=O)[C@]1(c2ccccc2)C[C@@H]1Br	1598403931	YLFYNNAESLSJJN-GWCFXTLKSA-N	312.163	1.635	50	20	DDGD	
COCC[C@H](C)CNC(=O)NNc1ccc(F)c(C(=O)O)c1	1599210599	QVULWZIRCZWKOI-VIFPVBQESA-N	313.329	1.823	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)c2ccc(-c3nn[nH]n3)c(C)n2)c1	1592139143	RTPMQHZBZZQNOT-UHFFFAOYSA-N	323.360	1.944	50	20	DDGD	
CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@](C)(Cl)CCl)C2)C1	1781228686	ZAFUZTCRHPMDES-QWHCGFSZSA-N	323.220	1.073	50	20	DDGD	
C/C=C/C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](Cl)CC)C2)C1	1781219495	NXUJMFOMIVQVSI-MOEUOMFESA-N	314.813	1.410	50	20	DDGD	
CC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CC	1792979239	JQLLNFWMFKTOBR-FPYNETTCSA-N	316.829	1.413	50	20	DDGD	
Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1ccccn1	15890174	IVHRFPVZUZFLJR-UHFFFAOYSA-N	319.748	1.883	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1cccc(F)c1F	165784373	BITLRAOILCOVIX-KCJUWKMLSA-N	313.304	1.535	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cccnc2)cnn1CCC(C)C	153814019	LXCFSGWKAOPHNX-UHFFFAOYSA-N	315.377	1.707	50	20	DDGD	
CNS(=O)(=O)[C@@H]1CCN(/C(=C/C#N)c2ccc(F)cc2)C1	155895056	IWDOJNUZEXIKOH-IAEDUXEVSA-N	309.366	1.314	50	20	DDGD	
CS[C@H](C)CC(=O)NNC(=O)COc1ccc(F)cc1	155461519	ZHKXGLWOVLITAO-SECBINFHSA-N	300.355	1.494	50	20	DDGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCCNC1	159851087	QJDGXSOZZRMZHC-JTQLQIEISA-N	321.768	1.833	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2cccc3nsnc23)CC1	282630371	OAWLQXWAHDDTJP-UHFFFAOYSA-N	306.372	1.536	50	20	DDGD	
COc1cccc(CC(=O)NNC(=O)c2cccc(C#N)c2)c1	103403053	XYZDNPNYJIEBIL-UHFFFAOYSA-N	309.325	1.571	50	20	DDGD	
CN(CCNC(=O)NNC(=O)c1ccccc1O)C1CCCC1	105293634	YPFSAPZWOFBNPZ-UHFFFAOYSA-N	320.393	1.211	50	20	DDGD	
CC(=O)NNC(=O)c1ccn(-c2cccc(Br)c2)n1	106901527	YSICQMMNLGKTAN-UHFFFAOYSA-N	323.150	1.416	50	20	DDGD	
C[C@@H](OC[C@H]1CCCCO1)C(=O)NNC(=O)CC(C)(C)C	171482638	HUWKXGISLODXBV-VXGBXAGGSA-N	300.399	1.544	50	20	DDGD	
CC[C@H](Sc1ccccc1)C(=O)NNC(=O)[C@@H]1CCCO1	110630177	CDFCYOWLHVSLCD-STQMWFEESA-N	308.403	1.884	50	20	DDGD	
O=C(NNc1nc(Br)cn2ccnc12)c1ccon1	176194801	BQBKEHGWGQPPPU-UHFFFAOYSA-N	323.110	1.237	50	20	DDGD	
Cn1ccc(C(=O)NNc2ccc(C(C)(C)C)nn2)cc1=O	118528477	KJOGANAXZRAOGJ-UHFFFAOYSA-N	301.350	1.230	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)CNc2ccccc2)ccc1C#N	170929996	VAJUQOYZFCRFRW-UHFFFAOYSA-N	309.329	1.135	50	20	DDGD	
COCC[C@H](C)NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	170628655	XNGXYKGJOALGJL-NGPAHMQLSA-N	300.362	1.653	50	20	DDGD	
C=CCN1CCC(NC(=O)NNc2cccc([N+](=O)[O-])c2)CC1	171739666	MVMYMJWLIJFQNZ-UHFFFAOYSA-N	319.365	1.871	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)CCc2ccccc2O)o1	175266996	WDFLIHSBFBJQIT-UHFFFAOYSA-N	302.330	1.996	50	20	DDGD	
CN(Cc1cscn1)C(=O)NNC(=O)c1ccc(C#N)cc1	60993715	CXESFOLOCXCIRG-UHFFFAOYSA-N	315.358	1.501	50	20	DDGD	
Cc1ncc(/C=C/C(=O)NNC(=O)c2ccc(Cl)nc2)s1	112274719	CZKFPGHFIWEHMN-HWKANZROSA-N	322.777	1.974	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)C1(c2cccc(F)c2)CC1	115062550	YXBSIQHMKBBQAM-UHFFFAOYSA-N	313.332	1.642	50	20	DDGD	
CCCc1ccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1	67477713	JUNMYZCQSLFCQV-HNNXBMFYSA-N	324.446	1.745	50	20	DDGD	
Cc1cc(C(=O)CCC(=O)NNC(=O)CN(C)C)c(C)s1	170796639	VWKQITNTMZXMNP-UHFFFAOYSA-N	311.407	1.037	50	20	DDGD	
CC(C)[C@H](CC(=O)NNC(=O)N1CCOCC1)c1ccccc1	171292991	GKMOJLYPMFEIPJ-HNNXBMFYSA-N	319.405	1.889	50	20	DDGD	
CC[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc[nH]1	175132483	IVQOQJHQZRKCJJ-LBPRGKRZSA-N	305.309	1.772	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H](C)n1cncn1)c1ccccc1	171879748	PHDWLBGIEFZVNE-YPMHNXCESA-N	301.350	1.180	50	20	DDGD	
CNC(=O)c1ccc(NS(=O)(=O)CCCCCl)cc1	184759372	UKRWSZAGXKICJM-UHFFFAOYSA-N	304.799	1.807	50	20	DDGD	
Cc1cc(F)c2nc(O)cc(C(=O)NNc3cccnn3)c2c1	181680335	QQUGNYMQPUKDCA-UHFFFAOYSA-N	313.292	1.935	50	20	DDGD	
COC1(CNC(=O)NNc2cccc(C#N)c2)CCOCC1	126591058	RQBLPUDNHRDFGF-UHFFFAOYSA-N	304.350	1.380	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2cnccn2)c1	30860532	CNOROWULWRAFLQ-UHFFFAOYSA-N	301.375	1.725	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)c1c(C)nc2ccccn12	127846592	KPCKQPGZVQOAPI-SNVBAGLBSA-N	306.391	1.545	50	20	DDGD	
CC(C)N1CCC(C(=O)NNc2cc(Cl)nc(N)n2)CC1	121684114	RFFMLKKQHSPRRH-UHFFFAOYSA-N	312.805	1.276	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H](C)c2ncc(C)s2)n1	78351616	DTGIOTIECJTFKT-SECBINFHSA-N	322.394	1.946	50	20	DDGD	
COc1ccsc1C(=O)NNC(=O)COCc1ccccc1	78193513	RZJQCHNCIWXAGN-UHFFFAOYSA-N	320.370	1.735	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(F)c(NC(C)=O)c2)n1	180722062	QEPOHEXPHXDEMX-UHFFFAOYSA-N	318.308	1.945	50	20	DDGD	
COc1cccc(CO[C@@H](C)C(=O)NNc2ncccn2)c1	121775986	OLWOEDCJNPPWNZ-NSHDSACASA-N	302.334	1.534	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1ccc(F)cn1	182775636	DASFIKWIMINBBK-UHFFFAOYSA-N	303.293	1.199	50	20	DDGD	
Cc1ccnc(O)c1C(=O)NNc1ncnc2ccsc12	181218577	JJASRXLPVIEWJT-UHFFFAOYSA-N	301.331	1.857	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cccc(F)n1	138242716	MJZNOJJXSLTZEZ-UHFFFAOYSA-N	303.293	1.233	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1cc(Br)ccc1F	137404548	KLCGDIUKMWMANP-UHFFFAOYSA-N	318.146	1.481	50	20	DDGD	
C[C@@H]1SCCN(CC(=O)NNC(=O)c2ccccc2)[C@H]1C	182321935	LRXJRKUXOMJDQN-RYUDHWBXSA-N	307.419	1.273	50	20	DDGD	
CCC(CC)n1nc(C(=O)NNC(=O)c2cc(C)n[nH]2)cc1C	180734134	GBUVXUOZZZRVIQ-UHFFFAOYSA-N	318.381	1.659	50	20	DDGD	
CCN(CC(=O)NNc1nccnc1OC)c1ccccc1	132111090	AOWJJTCQHAUMOC-UHFFFAOYSA-N	301.350	1.455	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCC[C@@H](N(C)C)C2)o1	84455752	IWSVDJFFGPTGFQ-NWDGAFQWSA-N	308.382	1.405	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCCCCCCO)c1	192707174	CFVHBLRCZZQEDM-UHFFFAOYSA-N	322.409	1.249	50	20	DDGD	
CCSc1ccc(C(=O)NNc2nc3ccccn3n2)cn1	191922475	NYUXXSSSQMNPSF-UHFFFAOYSA-N	314.374	1.993	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(C)CC(=O)OC)cc1	194573884	ZBWWTJZBPWMGHJ-UKTHLTGXSA-N	302.330	1.624	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(F)c(C)c2)o1	84461487	OUDMKOHFMAQMCF-UHFFFAOYSA-N	312.322	1.659	50	20	DDGD	
COC(C)(C)CNC(=O)NNC(=O)c1ccc(Cl)cc1F	83234610	UYAXPLNULPVEGR-UHFFFAOYSA-N	317.748	1.848	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](C)c2c(C)n[nH]c2C)n1	133065426	BSQQLNIDCMFAER-QMMMGPOBSA-N	304.354	1.380	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ccc([N+](=O)[O-])cc1)N1CCCC1=O	133985488	FFDBDJSIOUBDHZ-CQSZACIVSA-N	320.349	1.685	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(OCC(F)(F)F)nc1	48200255	CDKANOLAMDMDJD-UHFFFAOYSA-N	308.216	1.415	50	20	DDGD	
C=C[C@](C)(CC)C(=O)NNC(=O)CNc1cccc(OC)c1	134921572	QYLNKBFKRDCUPS-MRXNPFEDSA-N	305.378	1.857	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNc1ncccn1)c1cccc(F)c1	49798090	AZHDGFPHESHWQB-ZDUSSCGKSA-N	318.356	1.545	50	20	DDGD	
O=C(NCCc1ccc(F)cc1)NNc1nc2ccccn2n1	190336686	LLHBTMAXVHQPIU-UHFFFAOYSA-N	314.324	1.737	50	20	DDGD	
O=C(/C=C\c1cncc(F)c1)NNC(=O)Cc1cccnc1	255771101	KCXDCSIZLJUDBE-ARJAWSKDSA-N	300.293	1.019	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C(C)(C)c2ccccc2)cnn1C	264667816	VTEOFOWMJQYQPC-UHFFFAOYSA-N	300.362	1.467	50	20	DDGD	
CCN1CCCN(C(=O)c2c(C)nn(CCCl)c2C)CC1	265865446	XPFCMOMXSSPEPN-UHFFFAOYSA-N	312.845	1.907	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2ccccc2C)C1	266764612	OFVSJTDDHKCWGJ-CHWSQXEVSA-N	318.373	1.735	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NC[C@H]1CCCN1C(=O)OC(C)(C)C	264413258	FYLGHTAWBVLMHL-RSKUSDAESA-N	323.393	1.946	50	20	DDGD	
CC(C)C[C@@H](C)CC(=O)NNc1nc(O)c2cnn(C)c2n1	269301620	JTNOQEBFIJSOEO-SECBINFHSA-N	306.370	1.584	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCc1nnc2n1CCC2	274335102	RXAPXHDKJJTOIL-JTQLQIEISA-N	315.215	1.650	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)c2c[nH]c3ccccc23)CCO1	271246715	IKSLCKXKRKWYOO-GHMZBOCLSA-N	316.361	1.679	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNc1cccc([N+](=O)[O-])c1C	276356877	LOESEVHPKQEWJF-UHFFFAOYSA-N	303.322	1.929	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2nc(-c3ccncc3)no2)no1	367030541	RFZDHCPTNVCIAV-UHFFFAOYSA-N	314.305	2.000	50	20	DDGD	
O=C(CN1CCC2(CC1)CC2)NNC(=O)c1ccccc1Cl	366666597	DMNVQACUGSYBLF-UHFFFAOYSA-N	321.808	1.977	50	20	DDGD	
COC[C@H](NC(=O)NNc1c(C)cccc1F)[C@H]1CCCO1	279739206	OMIFAXLCJPGYTM-QWHCGFSZSA-N	311.357	1.954	50	20	DDGD	
C[C@@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)CCCCCl	375620477	XEKRXJGWYGQHEA-CHWSQXEVSA-N	308.875	1.894	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)c2cccn2C)c1CC	277313073	WSIYBTBQQSNAIT-UHFFFAOYSA-N	317.393	1.659	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NO[C@@H]1CCCCO1	275078638	DLCBGSLGKLYYDY-CYBMUJFWSA-N	311.313	1.157	50	20	DDGD	
CC[C@H]1C[C@@H](CC(=O)NNc2nc(C)cc(OC)n2)CCO1	272769334	HCGBDOMQVCLZHK-RYUDHWBXSA-N	308.382	1.832	50	20	DDGD	
CSSCCNC(=O)N1CCO[C@H](COC(C)C)C1	375228290	ISJQYIMGHHCOMK-NSHDSACASA-N	308.469	1.833	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NNc1nccnc1C1CCC1	287322454	XDOIQGBZYZPTOM-NSHDSACASA-N	320.397	1.414	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NC[C@H]1CCCSC1	288104665	WXIXQDUKWNKZBX-GFCCVEGCSA-N	308.407	1.098	50	20	DDGD	
Cc1cc(Cl)nc(CNS(=O)(=O)CBr)c1	282209730	GKSIOXFTBGHKGZ-UHFFFAOYSA-N	313.604	1.815	50	20	DDGD	
CSSCCNC(=O)c1ccc(N2CCNC2=O)cc1	284139129	PSENHOHWVUAPLT-UHFFFAOYSA-N	311.432	1.957	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N[C@@H](CO)CC2CCC2)cc1	280421062	ZBLWEAXXMRQBJE-CQSZACIVSA-N	316.361	1.053	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc2cnn(CC)c2nc1C	282252563	JPCPGDQJVMSPAJ-UHFFFAOYSA-N	304.354	1.066	50	20	DDGD	
COCCN(C)NC(=O)c1ccn(-c2ccc(Cl)cc2)n1	288594529	SOJLMPPOIUZLBU-UHFFFAOYSA-N	308.769	1.749	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)CCc2ccccc2O)CC1	281921187	JQAJVKRVYVHJEP-UHFFFAOYSA-N	306.362	1.289	50	20	DDGD	
N#Cc1ccc(C[C@@H](C#N)C(=O)NNc2ncccc2F)cc1	804213514	LPIKRKKGFFWUGA-ZDUSSCGKSA-N	309.304	1.918	50	20	DDGD	
CN(C)C(=O)NNC(=O)CCc1ccc2ccccc2c1O	294747025	OTQCCCQTAOGMKE-UHFFFAOYSA-N	301.346	1.780	50	20	DDGD	
O=C(NNc1cccc(F)n1)C(=O)Nc1ccc(Cl)cn1	807392828	ZOPVCUMXUILYDF-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
CN(NC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)OC(C)(C)C	297554742	FWVSFAKHCDTHLK-UHFFFAOYSA-N	318.329	1.665	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H]1CCCC12OCCO2	807426650	SKZABNGBHLNQSG-NSHDSACASA-N	306.366	1.586	50	20	DDGD	
Cc1nn(C)c(Br)c1C(=O)NNC(=O)CC(C)C	801082023	IFWYJMVYTNVTHQ-UHFFFAOYSA-N	317.187	1.298	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2ccc(OC(F)F)cc2)n1	293381410	MXQWYVZXDWHSCC-UHFFFAOYSA-N	311.292	1.965	50	20	DDGD	
CC(C)[C@H]1NCC[C@H]1C(=O)NNc1nc(-c2cccnc2)no1	290117674	KWBHHQJRHMSPKS-VXGBXAGGSA-N	316.365	1.209	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2cc(C3CC3)n(C)n2)n1	290358678	JJLMRRDOBONLFK-UHFFFAOYSA-N	314.349	1.467	50	20	DDGD	
O=C(CN1CCCC1=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	295941022	KOUJJSFETDIQEQ-UHFFFAOYSA-N	312.713	1.314	50	20	DDGD	
CCc1c(C(=O)NNC(=O)N2CCOCC2)oc2ccccc12	294715040	MASUOVAZNJMYIW-UHFFFAOYSA-N	317.345	1.682	50	20	DDGD	
O=C(/C=C\c1ccccc1F)NNC(=O)N=c1cc[nH]cc1	802035723	KEKKFGLQSSCFGV-WAYWQWQTSA-N	300.293	1.509	50	20	DDGD	
Cc1nn(C)c(N)c1C=NNC(=O)CCOc1ccccc1	814823649	PRMQWQABTGNNIK-UHFFFAOYSA-N	301.350	1.230	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=Cc1snnc1C	814213756	ROMSTTNVXORYCD-UHFFFAOYSA-N	304.375	1.938	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)CCN2CCCCCC2)C1	819805297	SZBYKRDLLFLJMZ-UHFFFAOYSA-N	309.410	1.698	50	20	DDGD	
COc1cccc(NNC(=O)NCC[C@@]2(O)C[C@H]3CC[C@H]2C3)n1	814346836	LAVBCEJXTDCSQE-MQIPJXDCSA-N	320.393	1.658	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)c2ccnnc2)cc1C	817694256	WIFGUUSYEQBXSO-UHFFFAOYSA-N	314.345	1.324	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)c(C)o1	816597591	XWMCPHKQCIZJRN-UHFFFAOYSA-N	318.289	1.487	50	20	DDGD	
O=C(NNc1ncncc1F)c1cncc(Br)c1	817067740	POGVOXFDQGFXNF-UHFFFAOYSA-N	312.102	1.530	50	20	DDGD	
Cc1nc(C(=O)NNc2nc3ccccc3c(=O)n2C)c(C)o1	815603609	LQBHDKLMNWOGMD-UHFFFAOYSA-N	313.317	1.295	50	20	DDGD	
CC(=NNC(=O)c1cccc(N(C)C)c1)c1cc(CO)on1	812223687	IKOCUDXXHQICBO-UHFFFAOYSA-N	302.334	1.387	50	20	DDGD	
COc1cccc(C=NNC(=O)N=c2cc[nH]cc2)c1OC	815002538	FPPLEHOXCVIHPB-UHFFFAOYSA-N	300.318	1.676	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1cnn(-c2ccccc2)c1	814958072	XVDAEJCGSRQUGP-UHFFFAOYSA-N	308.345	1.678	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1	818327901	KIHCTDHDUGLUMC-OBJOEFQTSA-N	315.373	1.517	50	20	DDGD	
COc1ccc2c(c1)c(C(=O)NN(C)[C@@H](C)CO)c(C)n2C	823912351	CVSHWAQZIMVHSI-JTQLQIEISA-N	305.378	1.453	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1c(F)ccc(Br)c1F	823927568	ASWFRUIMMQNKQP-LURJTMIESA-N	323.137	1.685	50	20	DDGD	
CCCSCC(=O)NNC(=O)CCNC(=O)OC(C)(C)C	495085841	JDYMZPZVMCWJLW-UHFFFAOYSA-N	319.427	1.192	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc2nc(C(F)(F)F)cn2c1	495557075	REZWDMSAQCFTFI-UHFFFAOYSA-N	316.239	1.744	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)C2CC2)CC1)c1ccc(Cl)cc1O	825504037	MGUWUFIAZDVCHU-UHFFFAOYSA-N	322.748	1.566	50	20	DDGD	
CC[C@H](C)Oc1ccccc1/C=C\C(=O)NNC(=O)C(C)(C)O	493866786	DLDYNEHAMJLGLA-WEHUKYGOSA-N	320.389	1.795	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1cc2ccccc2[nH]1	826017116	VPPMWTWZEXMYMU-GXFFZTMASA-N	316.361	1.423	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNC(=O)c1cc2c(s1)CCC2	729299871	JKKQMFZDIZLVNO-LBPRGKRZSA-N	321.446	1.872	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCc1nnc(C2CC2)o1	490975984	QGERGZUQLREMMA-GHXNOFRVSA-N	310.313	1.876	50	20	DDGD	
O=C(C[C@H](n1cccn1)C(F)(F)F)NNC(=O)C1CCCC1	821750148	AMFFZMUXBIWRLC-JTQLQIEISA-N	318.299	1.714	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)OCC(F)(F)F)cc1F	824619964	VAMSJACEYGUOBK-UHFFFAOYSA-N	309.219	1.801	50	20	DDGD	
Cc1ccc2c(c1)[C@H](NCc1ccc(B(O)O)cc1F)[C@@H](C)C2	585034844	UPFQRXUQZWVRNV-KPZWWZAWSA-N	313.181	1.837	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)[C@H](C)c1ccc(F)cc1	827315282	PCPRSAQOWMFNIY-SUNKGSAMSA-N	323.368	1.984	50	20	DDGD	
CN(C)CCn1nccc1C(=O)NNc1cccc(F)c1F	901168832	XCOIXQWKWSLABM-UHFFFAOYSA-N	309.320	1.480	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCC(C)(C)c1ccncc1	826822608	ATUQRZWLKJYPGS-YPMHNXCESA-N	320.393	1.115	50	20	DDGD	
CC(C)[C@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)CC1	584947295	KWFVLISFXZVBSK-LBPRGKRZSA-N	307.174	1.404	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CCN(C3CCCCC3)C2)nc(N)n1	828371514	IWUWFSLFRJIGSR-LBPRGKRZSA-N	318.425	1.465	50	20	DDGD	
CC(=NNC(=O)C1CCC1)c1cccc(S(=O)(=O)N(C)C)c1	731933316	WFLYOZOPSWVRPY-UHFFFAOYSA-N	323.418	1.577	50	20	DDGD	
C[C@]1(c2cccs2)C[C@@H]1CNCc1ccccc1B(O)O	585024567	ZAFMMUYJWMQAKK-CJNGLKHVSA-N	301.220	1.495	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)COc1cccc2ccccc12	732082414	HCBMJFJJLPELTL-UHFFFAOYSA-N	324.340	1.711	50	20	DDGD	
CC(C)(C)C(=O)N1CCC(COc2ccc(B(O)O)cc2)CC1	584910654	RSTUPEHRBOHDED-UHFFFAOYSA-N	319.210	1.030	50	20	DDGD	
COc1ccc([C@@H](NCc2ccc(B(O)O)o2)C(C)C)cc1	585014815	FGPVYUVDMKMDIY-INIZCTEOSA-N	303.167	1.455	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2cc[nH]c2)o1	735938862	FGAUEGVMUWMFGZ-UHFFFAOYSA-N	302.298	1.063	50	20	DDGD	
CC(=O)NNC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)OC(C)(C)C	495737252	NEUYXBNWWDWLJL-NHYWBVRUSA-N	313.398	1.627	50	20	DDGD	
CCOC(=O)N1CCC(C(=O)NNc2cc(C)ccn2)CC1	492930414	MXSHFGXPOYITCV-UHFFFAOYSA-N	306.366	1.702	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CNc1ccccc1Cl	732087150	WFGSEFCAPXYJMA-UHFFFAOYSA-N	307.741	1.245	50	20	DDGD	
CC(C)OC(=O)CCNC(=O)NNc1ncc(F)cc1F	837401533	AGWWVIKQMCIFBI-UHFFFAOYSA-N	302.281	1.328	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)N[C@@H](C1CCC1)C1CC1	838745465	UPUPFYCGQHKDFF-AWEZNQCLSA-N	303.362	1.915	50	20	DDGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(C)nn2)cc1	490664927	WHOTUBNZXIIABB-XYOKQWHBSA-N	324.344	1.063	50	20	DDGD	
CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1cccc(C)c1C	734296627	XJAHUKWCWVEERT-ZDUSSCGKSA-N	323.418	1.514	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21	905568798	NXLUZKBXPBAKCJ-ZWKOPEQDSA-N	322.748	1.335	50	20	DDGD	
C[C@@H](OCc1ccccc1)C(=O)NNC(=O)[C@H]1CCCCO1	833251039	PKAKVPNRKBZHOX-TZMCWYRMSA-N	306.362	1.308	50	20	DDGD	
CN1CCO[C@@H](C(=O)NNc2cc(Cl)ccc2Cl)C1=O	901164941	NHTCOBUYJQEDKW-JTQLQIEISA-N	318.160	1.294	50	20	DDGD	
OB(O)c1ccc(-c2noc(CCCC3CCOCC3)n2)cc1	585053147	BXYHARIRNLHNKM-UHFFFAOYSA-N	316.166	1.166	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)C1CC1	731186747	RYMXTWOGUBJODL-AWEZNQCLSA-N	315.373	1.096	50	20	DDGD	
CCOc1cc(C(=O)N2CC[C@H](B(O)O)C2)cc(Cl)c1O	585067077	UUCGFKBJKLPTLM-VIFPVBQESA-N	313.546	1.133	50	20	DDGD	
CC1(C)C[C@@H](CNC(=O)NNC(=O)c2ccccc2F)CCO1	836429842	UIASDZIAVMNKFU-NSHDSACASA-N	323.368	1.975	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1cn(C)nn1	834977021	IQYSJQFUBNEULX-SNVBAGLBSA-N	321.768	1.776	50	20	DDGD	
Cc1cccc(-c2cncc(C(=O)N3CC[C@H](B(O)O)C3)c2)c1	585066055	LVNGCNSKACQZGV-INIZCTEOSA-N	310.162	1.746	50	20	DDGD	
C[C@@H](NCc1ccc(B(O)O)cc1)c1nc(C(C)(C)C)cs1	585021709	CBQWSRZKZWTIGM-LLVKDONJSA-N	318.251	1.971	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2(O)CCCCC2)c(F)c1	837206790	HGBCZZAMOAYLLS-UHFFFAOYSA-N	310.325	1.751	50	20	DDGD	
C=CC[C@H](CC(F)(F)F)NC(=O)c1ccc(B(O)O)c(F)c1	585001554	XGUNHAZGLAYRJM-SECBINFHSA-N	319.063	1.132	50	20	DDGD	
CCC[C@@H](NCc1ccccc1B(O)O)[C@H](O)c1ccccc1	585039929	ZSDTUNFLXCVBHZ-QZTJIDSGSA-N	313.206	1.358	50	20	DDGD	
COCCN(C)NC(=O)[C@H](NC(=O)CC(C)C)c1ccccc1	837623225	NYZBODKXPHWZNR-MRXNPFEDSA-N	321.421	1.499	50	20	DDGD	
COc1ccc(C(=O)O)cc1C=NNC(=O)C1CCOCC1	901276733	VBHLFNWVBUELPF-UHFFFAOYSA-N	306.318	1.270	50	20	DDGD	
CC[C@H](Cc1ccccc1)C(=O)NNC(=O)[C@H]1CCCCO1	833250416	GNFBMQIPWVTDNJ-HUUCEWRRSA-N	304.390	1.972	50	20	DDGD	
CCN(C(=O)c1ccc(B(O)O)c(F)c1)[C@@H](C)c1cccnc1	584952699	WEBVLCGQCPULFQ-NSHDSACASA-N	316.141	1.124	50	20	DDGD	
OB(O)[C@@H]1CCN(Cc2ccccc2OCc2cccnc2)C1	585077751	XXIIUZLQEABYQN-MRXNPFEDSA-N	312.178	1.709	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1CNC(=O)NNC(=O)C(=O)N1CCCC1	838644503	PZDMTKOQDCVTTA-QWHCGFSZSA-N	324.425	1.156	50	20	DDGD	
COC(=O)N1CCC(C(=O)NNc2ncncc2Cl)CC1	832671391	HXPWBOYFFHTIMP-UHFFFAOYSA-N	313.745	1.052	50	20	DDGD	
C[C@H]1CN(C[C@@H](C)C(=O)NN=Cc2ccncc2F)C[C@@H](C)O1	834933841	KMZCMRNVNXMPIG-UPJWGTAASA-N	322.384	1.416	50	20	DDGD	
C=CC[C@@H](NC(=O)NNC(=O)[C@@H]1CCCCO1)c1ccncc1	838478131	TULYIIFUKBJCOB-KGLIPLIRSA-N	318.377	1.598	50	20	DDGD	
O=C(NCCC1=CCCCCC1)c1cc(B(O)O)ccc1F	584974301	GDXVDDNGWZGBFS-UHFFFAOYSA-N	305.158	1.516	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1ccccc1OC(F)F	833384718	MDIVSFAYQAGRGS-UHFFFAOYSA-N	301.249	1.396	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)[C@H]1CC(=O)N(C2CC2)C1	734551614	IDWVLJPXAXRWIS-ZETCQYMHSA-N	313.279	1.558	50	20	DDGD	
CC(C)(C)C(=O)N1CCC(NC(=O)NNc2cccnn2)CC1	736375360	VFLVZAVEPNIHLH-UHFFFAOYSA-N	320.397	1.140	50	20	DDGD	
C=C(CC)CNC(=O)NNC(=O)c1ccc(OC)cc1OC	836285466	JCTVFGBIUZHNEA-UHFFFAOYSA-N	307.350	1.614	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc2c(c1)CCCO2	831406243	NACIBGAMFYSRFT-GXFFZTMASA-N	319.361	1.589	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)COCc1ccccc1)C(C)C	743638079	NNTBNSMHADGETR-AWEZNQCLSA-N	323.393	1.205	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)Cc1csc(-c2cccnc2)n1	910179347	LGSYQWBHUMUXFU-JTQLQIEISA-N	306.391	1.091	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNc1ccc(C(F)(F)F)nn1	841409512	MGKYYABSKIHZMW-MRVPVSSYSA-N	306.288	2.000	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H]2CNCCCO2)c(Cl)c1	842009723	FMVWYRCKBOTFTN-LLVKDONJSA-N	312.801	1.653	50	20	DDGD	
CC(C)(C)C(=O)NCCNC(=O)NNc1ccc(F)c(F)c1	915757323	BABURUVVGGVTNT-UHFFFAOYSA-N	314.336	1.753	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1cccc2c1CCNC2	841308466	OORVIEXMGJWQKO-AWEZNQCLSA-N	318.377	1.054	50	20	DDGD	
N#C/C(=C/c1ccccc1OCC(=O)N1CCCC1)C(=O)O	915841223	AYFVTYOCSXKHJA-LCYFTJDESA-N	300.314	1.679	50	20	DDGD	
COCCOCc1ccc(C=NNC(=O)c2ncccn2)cc1	841665825	QHJNIQRHCMNQFW-UHFFFAOYSA-N	314.345	1.404	50	20	DDGD	
Cc1nccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)n1	917391921	NVEBCJCNEOIJKT-UHFFFAOYSA-N	304.737	1.442	50	20	DDGD	
COCCn1cc(C(=O)NNc2cc(C)cc(C)c2)ccc1=O	917489040	DUGAMDXHLIQKJF-UHFFFAOYSA-N	315.373	1.868	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC12CCCC2)c1cccc([N+](=O)[O-])c1	747293609	KERJPMLRTDVKDL-GFCCVEGCSA-N	303.318	1.936	50	20	DDGD	
CN(C)N(C(=O)C1CC2(CCC2)C1)[C@@H]1CCS(=O)(=O)C1	843520288	WTOWMDYUWJEGSI-GFCCVEGCSA-N	300.424	1.059	50	20	DDGD	
Cc1ccc([C@@H](CNC(=O)NNC(=O)C(C)C)N(C)C)cc1	743334302	SOLPLYZMXFKXQO-CQSZACIVSA-N	306.410	1.584	50	20	DDGD	
CCn1nncc1C=NNC(=O)CSc1ccc(C)cc1	841612567	MBBFCNBWRDGKDQ-UHFFFAOYSA-N	303.391	1.849	50	20	DDGD	
C[C@@H](Cc1cnc[nH]1)C(=O)NNC(=O)c1cccc(N(C)C)c1	847295655	NLGVUVQQEKJZBM-NSHDSACASA-N	315.377	1.116	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCc1cccc(C(F)(F)F)c1	910158937	GBPWSNGXJKFMCQ-SNVBAGLBSA-N	304.312	1.982	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)NCC(F)(F)F)cc1C	918707203	GFSUJHHGBAIMHF-UHFFFAOYSA-N	303.284	1.739	50	20	DDGD	
CN1CCN(CC(=O)NNc2ccc(C(F)(F)F)cc2)CC1	747588690	PTMVTIKQGSEHPL-UHFFFAOYSA-N	316.327	1.396	50	20	DDGD	
COCc1nn(C)cc1C(=O)NNc1nc2ccccc2n1C	848380895	WJOWKCRVKOFHFX-UHFFFAOYSA-N	314.349	1.210	50	20	DDGD	
C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NNC(=O)c1ncccn1	841592338	OPIHKZSTAOHSFX-NEPJUHHUSA-N	319.409	1.978	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCCOC(C)C)cc1	845108555	PKMFMRAJIAUTFA-UHFFFAOYSA-N	309.366	1.453	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CC[C@@H](CF)C2)cc(C#N)n1C	916123564	QAOOQDKBNQAEDZ-FUFNBDOUSA-N	300.337	1.930	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])n1cncn1	917217217	GUNWKASVJUVPKW-SSDOTTSWSA-N	310.701	1.544	50	20	DDGD	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NNc1nnc(C)c(O)n1	743295214	IBKLQGZJZSSIIA-WCQGTBRESA-N	323.397	1.703	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(O)c2ccccc2c1	843970862	MFGISCZCVJMLQQ-MFKMUULPSA-N	314.341	1.731	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)COC2(C)CCC2)cc1	746296024	HWCMIKRXQUJVSW-UHFFFAOYSA-N	321.377	1.214	50	20	DDGD	
CO[C@]1(C(=O)O)CCN(C(=O)[C@H](Br)C(C)(C)C)C1	910219656	PBTLEAXSZOOYKH-QPUJVOFHSA-N	322.199	1.498	50	20	DDGD	
CO[C@]1(C=NNC(=O)[C@H](C)Oc2cccc(C)c2C)CCOC1	841613037	QSGYMXHSVSPKDY-YOEHRIQHSA-N	320.389	1.978	50	20	DDGD	
CC(C[C@@H]1CCCC(=O)N1)=NNC(=O)c1cccc(N(C)C)c1	841608725	HLYGOTLOXKPVPV-AWEZNQCLSA-N	316.405	1.917	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ncc(Br)cn1)[C@H](C)N	848436244	KPCWRVPMZRTJRY-IONNQARKSA-N	316.203	1.302	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)c1ccc2c(c1)OCCO2)C1CC1	920053385	FEZNFJOKZKEIEP-SNVBAGLBSA-N	319.361	1.448	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@@H]1C[C@]12CCc1ccccc12	743317901	QVOXSNLUBHPANA-FZMZJTMJSA-N	312.291	1.990	50	20	DDGD	
CCn1ncc(C=NNC(=O)c2ccc(OC)cc2OC)n1	841625099	ZYDAODIHVDUPLN-UHFFFAOYSA-N	303.322	1.079	50	20	DDGD	
COc1ccc(C(=O)NNc2nc(C)cc(OC)n2)c(F)c1	746624107	WQUUVQVJRHDMJJ-UHFFFAOYSA-N	306.297	1.698	50	20	DDGD	
COc1cccc(OCCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	843663835	ZTRBUTOMNLBBBT-FZMZJTMJSA-N	322.361	1.037	50	20	DDGD	
C=CCNC(=S)NNC(=O)CSc1ccc(OC)cc1	921159798	CMGVCHUEGDUTNQ-UHFFFAOYSA-N	311.432	1.469	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(NC(=O)OC)cc1	755966515	WFGXLDPUHGOCSM-UHFFFAOYSA-N	310.310	1.054	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C[C@@H]2CCCC(=O)N2)ccc1C	857264345	WNLHZTQKYHWUOA-NSHDSACASA-N	319.361	1.284	50	20	DDGD	
CCC[C@@H]1CCCC[C@H]1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1	858525531	YQFSVYUBAJNUGL-AGIUHOORSA-N	324.425	1.202	50	20	DDGD	
Cc1ccc(C=NNC(=O)CCCNC(=O)C(C)(C)C)nc1	853407667	UXEKOKUUXPVFHD-UHFFFAOYSA-N	304.394	1.783	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)C[C@@H]1Br	856718101	KFHMYHVEUZGXPU-ORXSELOVSA-N	316.195	1.943	50	20	DDGD	
CCC(F)(F)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	854378100	GWNHHMSJHRPOKE-UHFFFAOYSA-N	301.249	1.613	50	20	DDGD	
O=C(NNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccccn1	758149248	TXMRWEFJVQVPLD-UHFFFAOYSA-N	304.237	1.204	50	20	DDGD	
COc1ccc(OCC(=O)NN=C(C)C2CCOCC2)cc1	755879047	IBLGRZUGRDSPPM-UHFFFAOYSA-N	306.362	1.993	50	20	DDGD	
CC1(CNC(=O)NNC(=O)CCc2ccccc2)CCOCC1	753430704	RNWUJDZZCZOXNM-UHFFFAOYSA-N	319.405	1.766	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=Cc1cn(C)nc1C	755507993	ICYRFLFGNBANEL-UHFFFAOYSA-N	300.362	1.820	50	20	DDGD	
C#CCNC(=S)NNC(=O)Nc1ccc(OC(F)F)cc1	758244947	GIBKPXVZFZIRAC-UHFFFAOYSA-N	314.317	1.422	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1nc2c(s1)COCC2	756626925	DWVOLURLSBDGJP-UHFFFAOYSA-N	310.379	1.559	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC2(N(C)C)CC2)c1	923000973	QSZDJYLCULHDMP-UHFFFAOYSA-N	306.366	1.194	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2C[C@]23C(=O)Nc2ccccc23)n1	929716509	SFEJWJZJAZPTSD-YVEFUNNKSA-N	323.356	1.447	50	20	DDGD	
COc1cc(C(=O)NNC(=O)N2CCOCC2)ccc1Cl	758871091	YZBUIGXJAGFYGL-UHFFFAOYSA-N	313.741	1.035	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C(C)(C)SC	854191034	ROEIVPAURAMXGY-UHFFFAOYSA-N	312.391	1.363	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	920819107	UYMUEFVRJNFLOO-MCIONIFRSA-N	316.467	1.695	50	20	DDGD	
CC(=O)N[C@H](CCC(C)C)C(=O)NNC(=O)c1ccccc1F	854180996	QXAJSWGBMKLSNA-CQSZACIVSA-N	323.368	1.528	50	20	DDGD	
COc1nccnc1NNC(=O)CCOc1ccc(F)cc1	857540206	YXGGWCXIDXBFIY-UHFFFAOYSA-N	306.297	1.537	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC[C@H]([C@@H]2CCCCO2)C1	852598759	YQMDQDLLUNEHPW-KBPBESRZSA-N	311.426	1.071	50	20	DDGD	
C[C@H](Oc1ccc(C=O)cc1)C(=O)NNC(=O)CC(F)(F)F	855000334	GSACZGUDEFVLIA-QMMMGPOBSA-N	318.251	1.366	50	20	DDGD	
CC(C)CN1CC[C@@H](CNC(=O)NNC(=O)C2CCCC2)C1	757304295	JMBOKWPJHXIODB-ZDUSSCGKSA-N	310.442	1.485	50	20	DDGD	
C[C@@]1(CNC(=O)N[C@@H]2C=C[C@H](CO)C2)C[C@@H]1Br	856840634	SFJAYZWXWQDKPZ-WYFGTUCQSA-N	303.200	1.396	50	20	DDGD	
CC1CCN(C[C@H](C)C(=O)NN=Cc2cnc3n2CCC3)CC1	853278434	BIESICZUUZHFHY-AWEZNQCLSA-N	317.437	1.647	50	20	DDGD	
COCCOCCNC(=O)NNc1cc(F)cc(Cl)c1	853438475	COZGSJBHKKPYJD-UHFFFAOYSA-N	305.737	1.768	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@](C)(NC(C)=O)C(C)C)cc1	929289928	JMYFTTYTBPPGNA-QGZVFWFLSA-N	319.405	1.561	50	20	DDGD	
O=C(Cc1ccc2c(c1)COC2)NNc1nccnc1Cl	758162459	DDEQHTGIEDSULU-UHFFFAOYSA-N	304.737	1.846	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cc3n(n2)CCC3)c1C	855624181	DPLGCGWMXMNCRS-UHFFFAOYSA-N	314.345	1.681	50	20	DDGD	
COC[C@@H](C)Oc1ccc(/C=C(\C#N)S(=O)(=O)N(C)C)cc1	853008520	SHGMIOAQKZUXBJ-KMHUVPDISA-N	324.402	1.856	50	20	DDGD	
O=C(NCCN1CCCC1=O)NNc1cc(F)cc(Cl)c1	854213394	FNBRACZRGZHJSZ-UHFFFAOYSA-N	314.748	1.728	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)Nc2cccnn2)c1	757662305	YDRUEYWTTWBSRU-UHFFFAOYSA-N	315.333	1.325	50	20	DDGD	
C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)NNC(=O)CC(F)(F)F	855001129	VPMCIBQGDVZJRP-TVQRCGJNSA-N	318.295	1.641	50	20	DDGD	
C[C@]1(CNC(=O)NO[C@H]2CCCCO2)C[C@H]1Br	856853052	KFZXIMBPFCHBEL-WCABBAIRSA-N	307.188	1.917	50	20	DDGD	
COC(=O)C[C@]1(NC[C@H](CBr)C2CC2)CCOC1	859253768	DUOSDLLICPNKGU-WCQYABFASA-N	320.227	1.719	50	20	DDGD	
CCn1nccc1NC(=O)NNC(=O)c1cc2c(s1)CCC2	757902413	BOMSNZDCESCSCS-UHFFFAOYSA-N	319.390	1.920	50	20	DDGD	
C[C@@H]1CCN(C(=O)NC[C@]2(C)C[C@@H]2Br)C[C@@H]1CN	857105313	JFFZUTJZBQSVOB-BLFANLJRSA-N	318.259	1.786	50	20	DDGD	
CCOCCn1cc(C(=O)NNc2c(F)cccc2F)cn1	857130497	ULBNTBIPOZWYIM-UHFFFAOYSA-N	310.304	1.955	50	20	DDGD	
Cc1nc(CCCC(=O)NNc2ccnc(N(C)C)n2)cs1	750242129	OWSGTBOGMYBMIG-UHFFFAOYSA-N	320.422	1.774	50	20	DDGD	
C=C[C@](C)(O)C(=O)NNC(=O)COc1cc(C)ccc1C(C)C	854185151	WIDNYOJLPXWTLA-KRWDZBQOSA-N	320.389	1.582	50	20	DDGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNC(=O)c2cccc(F)n2)C1	856427480	YMZLJRADQQTSAH-GHMZBOCLSA-N	309.341	1.577	50	20	DDGD	
COCCCNC(=O)NN=Cc1nc2cc(Cl)ccc2n1C	755668758	QFHMDRFZMRLOMQ-UHFFFAOYSA-N	323.784	1.896	50	20	DDGD	
O=C(CN1CCCNC1=O)OC[C@@H](CBr)C1CC1	859499090	MRRVXGJPVWNLNC-SNVBAGLBSA-N	319.199	1.366	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)N2CCOCC2)C[C@H]1C	758115674	HHESIOWIWRXMEV-DGCLKSJQSA-N	311.382	1.384	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C23CCC(CC2)C3)nc1C	752757413	YVVCVPPQJYLARE-UHFFFAOYSA-N	318.377	1.985	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=O)CC2CCCC2)C1	857853317	BUNPEYGUDJZVEU-ZWNOBZJWSA-N	304.394	1.803	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C(C[C@@H]2CCOC2)c2ccccc2)N1	863147651	LBUPEUNDYBCRLL-GXTWGEPZSA-N	315.373	1.212	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(OC(F)F)cc1F	930790657	ABSDGXQMHSAAAU-UHFFFAOYSA-N	305.256	1.781	50	20	DDGD	
CC1(C)CC(=NNC(=O)[C@@H]2CCC(=O)N2)c2ccc(O)cc2O1	863150043	LMELLWPIVSUOMQ-NSHDSACASA-N	317.345	1.052	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cnc(Br)c(C)c1	930791419	MYCUPHUQFJBNMW-UHFFFAOYSA-N	315.171	1.507	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCO[C@H](C(F)F)C1	867238141	ZOEWRIVZVPRVII-QMMMGPOBSA-N	305.774	1.547	50	20	DDGD	
CCCOc1ccc(NC(=O)C(=O)NNC(=O)C2CC2)cc1F	861803198	SNCDHDVMTCONLU-UHFFFAOYSA-N	323.324	1.110	50	20	DDGD	
O=C(CCCOC1CCOCC1)NNc1nc2ccccn2n1	867754753	UUNFBYYSIXINQZ-UHFFFAOYSA-N	319.365	1.148	50	20	DDGD	
COCCOCC(=O)NNC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21	869905761	PCPXBSMFGMONBQ-MGPQQGTHSA-N	312.410	1.403	50	20	DDGD	
Cc1nc(SCC(=O)NNCC(F)(F)C(F)(F)F)n[nH]1	863096749	ULEAZXNLDPEGHZ-UHFFFAOYSA-N	319.259	1.024	50	20	DDGD	
Cc1cc(C(=O)NN[C@@H](C)C(F)(F)F)ccc1-n1cnnn1	862306667	COHYNFDJDQTLFO-QMMMGPOBSA-N	314.271	1.156	50	20	DDGD	
O=C(NNc1ncccn1)c1csc(-c2ncccc2F)n1	768319895	OFPFPPJUAJKXET-UHFFFAOYSA-N	316.321	1.891	50	20	DDGD	
COc1ccc(CCC(=O)NN=CC2(OC)CCOCC2)cc1	761798825	CMYUGYIQHCHUHF-UHFFFAOYSA-N	320.389	1.925	50	20	DDGD	
COC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)c2cc(C)cs2)C1	862476221	MLCHYLXRRNBLIW-QWRGUYRKSA-N	324.402	1.797	50	20	DDGD	
COCCCOc1cccc(C(=O)NN=c2cc[nH]c(C)c2)c1	862512648	DMOHPRZPHFNUHJ-UHFFFAOYSA-N	315.373	1.984	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H](O)[C@@H](C)c2ccccc2F)cc[nH]1	869388984	UKMGYEMNODFTFH-NHYWBVRUSA-N	303.337	1.559	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1C	864443582	BFHPKXOXCCLDMX-UHFFFAOYSA-N	316.317	1.015	50	20	DDGD	
CC1(Cn2cc(C(=O)NNc3ccc(Cl)nc3)nn2)COC1	760340773	OBIJKKBMODPLMY-UHFFFAOYSA-N	322.756	1.120	50	20	DDGD	
O=C1OCc2c1cccc2S(=O)(=O)NCC(Cl)Cl	867471706	QBUOUCLZAONRER-UHFFFAOYSA-N	310.158	1.439	50	20	DDGD	
CCNC(=O)NNS(=O)(=O)c1cc(C(C)=O)ccc1Cl	761892652	XYDSTADOZDDOJD-UHFFFAOYSA-N	319.770	1.055	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2nc3ccccc3s2)CCOC1	874914214	ORMXIRFJPOKBIG-AWEZNQCLSA-N	305.359	1.484	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc(OC)c(Cl)c1	872401745	HTHJFGLQBVITQR-UHFFFAOYSA-N	300.742	1.462	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2nccnc2C(C)C)c1[N+](=O)[O-]	772845646	UWXGQVHYGVPGIL-UHFFFAOYSA-N	305.298	1.297	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)[C@@H](C)N(C)C)cc1OC	873806873	UNZPJIXYBSTZTR-LLVKDONJSA-N	323.393	1.195	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@H]1C=NNC(=O)c1c[nH]nc1C	872353075	UQYYFXCWOYMOAX-WCQYABFASA-N	316.365	1.428	50	20	DDGD	
COc1ccc(CNC(=O)NN=c2cc[nH]c(C)c2)c(C)c1	875387518	DJWYLVIMNQNLCU-UHFFFAOYSA-N	300.362	1.955	50	20	DDGD	
N#CSCCCNC(=O)CCN1C(=O)COc2ccccc21	773571406	NVKMZMCBUYHTBS-UHFFFAOYSA-N	319.386	1.523	50	20	DDGD	
CSC[C@H](C)NC(=O)NNC(=O)c1nc2ccccc2s1	872899573	GIWCKLUSTFFOMN-QMMMGPOBSA-N	324.431	1.992	50	20	DDGD	
Cc1cc(C)cc(CCC(=O)NNc2nnc(C)c(O)n2)c1	777522725	WACUFLWGUFDTAT-UHFFFAOYSA-N	301.350	1.578	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)Cc1cccc(F)c1	772046151	DTWCAFDTILWNLA-GHMZBOCLSA-N	324.352	1.493	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNc2ncc(F)cn2)cc1C	775600151	BMAQYGWCGZMGJO-UHFFFAOYSA-N	319.296	1.859	50	20	DDGD	
COC[C@H](C)C(C)=NNC(=O)c1nnc(O)c2ccccc12	777878214	FKAOXHCTCPWOEG-VIFPVBQESA-N	302.334	1.724	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)N[C@@H](CO)CC1CC1	778686949	NAVYRNUMVZQDLX-GFCCVEGCSA-N	317.345	1.538	50	20	DDGD	
CCN(CC(=O)NNC(=O)C(C)(C)C)[C@@H](CO)c1ccccc1	880464449	SWKHXOXGDXKGNC-AWEZNQCLSA-N	321.421	1.235	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@H]2CC23CCCC3)nc1C	778421401	LRKQBMYYJCCHNI-GFCCVEGCSA-N	318.377	1.985	50	20	DDGD	
C[C@@H](CCc1cccn1C)NC(=O)NNc1ccc(C#N)cn1	888396645	BCBKZEQDQRUPME-LBPRGKRZSA-N	312.377	1.939	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccnc1C1CC1	772301938	XPOKXKAAOOAEME-VIFPVBQESA-N	305.334	1.062	50	20	DDGD	
CCOC(=O)NNC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1	777756569	JMSHBJWDZPLZQS-JTQLQIEISA-N	315.370	1.411	50	20	DDGD	
COc1cc(OC)c(OC)cc1NC(=O)NNc1ncccn1	775678082	LUXRCGJCSDNKMV-UHFFFAOYSA-N	319.321	1.651	50	20	DDGD	
NC(=O)C[C@@H](NS(=O)(=O)CCCCl)c1ccccc1	882222307	JHEPTEDKEOTIMQ-LLVKDONJSA-N	304.799	1.151	50	20	DDGD	
Cc1nn2cccnc2c1C(=O)NNc1cnc2ccccc2n1	774794938	OJISOEDCBVEOBT-UHFFFAOYSA-N	319.328	1.738	50	20	DDGD	
CCN(CC)c1ccc(CNS(=O)(=O)CCCCl)cn1	881792029	RZTRSHOOSRACPP-UHFFFAOYSA-N	319.858	1.976	50	20	DDGD	
CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)c1cccnn1	882059455	XGGRKGHHWUVVDH-CQSZACIVSA-N	314.345	1.404	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N(CC(F)F)C1CCC1	884438788	KVNSNEISIUVPBN-WPRPVWTQSA-N	305.325	1.272	50	20	DDGD	
CCCC(=O)NC[C@H]1CCCN(S(=O)(=O)CCCCl)C1	881853434	WLHDXDNQRYWMAY-GFCCVEGCSA-N	324.874	1.573	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](C)Cc1c(C)nn(C)c1C	887144646	VMFNVDXJRQHQQT-NSHDSACASA-N	304.394	1.166	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCCc2ccc(O)c(F)c2)n[nH]1	787184482	QDYLGCVYIDPTPN-UHFFFAOYSA-N	320.324	1.347	50	20	DDGD	
CC(C)c1nnsc1C(=O)NNc1nc2ccccn2n1	1120723436	MKRBLDPJIBWYIU-UHFFFAOYSA-N	303.351	1.461	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2cc(F)c(F)c(F)c2)C(=O)O1	896355158	VVFCFYLQUNBJFL-MLUIRONXSA-N	303.240	1.434	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1CC(c2ccc(C)cc2)=NO1	899939566	UEQGJMWBLGOXNN-CYBMUJFWSA-N	318.402	1.169	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2ccc3c(c2)CC(C)(C)O3)CC1	790181351	KUCRVNAUMQXZPK-UHFFFAOYSA-N	316.405	1.691	50	20	DDGD	
CN1CCC[C@H](N(C)C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	895921518	DUFIQCFQUNQMML-GMXVVIOVSA-N	318.259	1.896	50	20	DDGD	
O=C(NN=C1c2ccccc2CC12CCOCC2)[C@H]1CCOC1	794940270	VBHBBRRABSJUTI-AWEZNQCLSA-N	314.385	1.896	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)Nc2ccccc2C)CCC1	798311323	OTHPERRMPDLMQT-UHFFFAOYSA-N	319.361	1.881	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)N2CCN(C)CC2)C1(CC)CC	790181251	KCFRIJUMAZTFJS-CQSZACIVSA-N	310.442	1.915	50	20	DDGD	
N#CC[C@@H](CC(=O)NNC(=O)c1cccnc1)c1ccccc1	792775562	AVITUMSVQGNCQX-AWEZNQCLSA-N	308.341	1.930	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cc2nccnc2cc1F	791507616	LMJOTSOFBFKHTF-UHFFFAOYSA-N	302.309	1.720	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2cccc(F)c2F)n1	794088080	VGKLESXGYBRAPU-UHFFFAOYSA-N	305.284	1.672	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)[C@@H]1CCC(F)(F)C1	795148374	LLCICMZYCWHKJC-SNVBAGLBSA-N	322.315	1.460	50	20	DDGD	
CCN1C[C@H](C)N(C(=O)NNC(=O)c2cccc(C)n2)C[C@H]1C	793229373	YKPFKLIYFRRXHV-OLZOCXBDSA-N	319.409	1.159	50	20	DDGD	
CCn1cc(-c2n[nH]cc2C(=O)NNc2ncccc2C)cn1	791216255	NAYMPOROKSGYJH-UHFFFAOYSA-N	311.349	1.753	50	20	DDGD	
Cc1c(C)c(O)c(C=NNC(=O)C(=O)N2CCCC2)c(C)c1O	799878133	OWZNBCGHVRWSRY-UHFFFAOYSA-N	319.361	1.096	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1c(F)cc(F)c(F)c1F	797521403	VMXMHIVTSPXFQM-UHFFFAOYSA-N	307.247	1.729	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccoc2Br)n1	794073091	WOVYYIZZKOCJHT-UHFFFAOYSA-N	324.134	1.820	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1coc(C(C)C)n1	799481244	OMNSWCREAJBXIK-UHFFFAOYSA-N	319.321	1.082	50	20	DDGD	
CCCN(CC(F)(F)F)[C@@H](C)C(=O)NNC(=O)CC(C)C	1319329102	WFQBXZPNWWUEIC-JTQLQIEISA-N	311.348	1.843	50	20	DDGD	
CCCN(CC)C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1328963670	OZDRJVYKHYPISD-JOYOIKCWSA-N	305.216	1.535	50	20	DDGD	
CC(C)CN(CC(=O)NNc1cccnn1)C(=O)OC(C)(C)C	1323743698	IXBMOEWHQOFMAJ-UHFFFAOYSA-N	323.397	1.813	50	20	DDGD	
O=C(NNC(=S)NC[C@H]1CCOC1)c1ccccc1Cl	1322871485	HAPYRUXOFDHSQQ-SECBINFHSA-N	313.810	1.485	50	20	DDGD	
COc1nc2ccccc2cc1C=NNC(=O)C[n+]1ccccc1	1322446516	RVYLSNTVMBYWIB-UHFFFAOYSA-O	321.360	1.681	50	20	DDGD	
CN(CC(=O)NNc1ncc(F)cc1F)Cc1ccccc1	1329045026	SGKBTVAFOXDVRP-UHFFFAOYSA-N	306.316	1.935	50	20	DDGD	
Cn1ncc([N+](=O)[O-])c1C(=O)NNc1ccc(C(C)(C)C)nn1	1324978662	LYOOUDLPRHLJFY-UHFFFAOYSA-N	319.325	1.173	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1	1339886753	WENYMYVKBAOWCP-GUBZILKMSA-N	324.406	1.582	50	20	DDGD	
C[C@]1(Cn2nnnc2N2CC[C@@H](F)C2)C[C@H]1Br	1336186000	KXHWNKNCEANRND-NQMVMOMDSA-N	304.167	1.395	50	20	DDGD	
Cc1cc2cc(NC(=O)C(=O)NNc3cccnn3)ccc2[nH]1	1255508382	WPPFDHHSEADYMC-UHFFFAOYSA-N	310.317	1.348	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)NC/C=C\C1CC1	1330852656	CFUSHVFKVCXVAJ-ARJAWSKDSA-N	307.325	1.501	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@H](C)Cc1ccc(C(C)C)cc1	1336699682	QOUJLNFPHVZSBQ-LLVKDONJSA-N	321.377	1.244	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)NCCCC(F)F	1339947723	RXTGXXXPBNVYDG-UHFFFAOYSA-N	319.283	1.580	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc(/C=C\C(=O)O)o2)n1	1600182317	BVFYVXVCMROAPV-XQRVVYSFSA-N	302.290	1.541	50	20	DDGD	
Cc1ccc(NNC(=O)c2cnn3cccnc23)cc1C(=O)O	1600463705	IFRUYUOWFUEIJF-UHFFFAOYSA-N	311.301	1.493	50	20	DDGD	
CN(C)N(C(=O)c1ccc(F)nc1)c1nc(CC(=O)O)cs1	1606037700	XBUZAHJBZAPPBU-UHFFFAOYSA-N	324.337	1.428	50	20	DDGD	
CO[C@H](CNC(=O)NNc1cccc(C(=O)O)c1)[C@@H]1CCOC1	1606675153	BOJFXYSHUYQGRU-DGCLKSJQSA-N	323.349	1.062	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc(F)c(C(=O)O)c1F	1609653613	HDTZWRMAJUQERK-UHFFFAOYSA-N	315.276	1.862	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@H]2CCc3nccn3C2)c1F	1602448601	ULDZVYRIIWMJKZ-VIFPVBQESA-N	318.308	1.426	50	20	DDGD	
O=C(O)[C@H]1CC[C@H](C(=O)NNc2cnnc3ccccc23)CC1	1602213144	KBIRFILRZYWVII-XYPYZODXSA-N	314.345	1.964	50	20	DDGD	
O=C(NNc1ccccc1F)C(=O)Nc1sccc1C(=O)O	1601561609	QZUVKSDOMGNRJT-UHFFFAOYSA-N	323.305	1.667	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2cccc(C(=O)O)c2)cc1	1608208083	ALKGWXGXPZUGSG-UHFFFAOYSA-N	324.296	1.338	50	20	DDGD	
Cc1ccc2c(c1)C(=NNC(=O)[C@@H]1CN3CCC[C@H]3CO1)CC2	1549315705	CGDAOHRNLQEZFX-YOEHRIQHSA-N	313.401	1.625	50	20	DDGD	
O=C(NCCC1(O)CCC1)NNc1cccc(C(=O)O)c1F	1610691369	XVWPSKCEDXNWJK-UHFFFAOYSA-N	311.313	1.455	50	20	DDGD	
CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](F)Cl)sc2C1	1817117253	JJEGDQKBGRIZRI-MUWHJKNJSA-N	305.762	1.609	50	20	DDGD	
COCC[C@@H]1CNCCN1C[C@H](CBr)C1CC1	1579011652	AUWCRCSYTKJPQP-QWHCGFSZSA-N	305.260	1.718	50	20	DDGD	
CCCCCCOc1ccc(C(=O)NNC(=O)C2CNC2)cc1	1577432685	LPRJFOLBHKLHST-UHFFFAOYSA-N	319.405	1.626	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CC[C@H]2CCCNC2)c1	1579772973	PRHFXNSXAXEPLK-CQSZACIVSA-N	319.405	1.301	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)Nc2nn(C)c(C)c2CN)c1	1579832724	TYMRDVQCGUFRBX-UHFFFAOYSA-N	322.394	1.024	50	20	DDGD	
O=C(/C=C\[C@@H]1CCCNC1)NNC(=O)c1cccc(Cl)n1	1580493794	LHGALESVVFYJIH-GFVADAIESA-N	308.769	1.052	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)CCOC)C2	1845164233	UHJGBBIFYGYZJW-NSHDSACASA-N	302.802	1.244	50	20	DDGD	
CCOC(CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)OCC	1590797972	JBGTZDXEJFBMFI-UHFFFAOYSA-N	320.353	1.099	50	20	DDGD	
CCOc1cc(C(=O)NNc2ccc(C(=O)O)c(F)c2)on1	1597005855	LLLSOXCJLMQBTB-UHFFFAOYSA-N	309.253	1.668	50	20	DDGD	
CCCN1CCC[C@@H]1C(=O)NNc1cccc(C(=O)O)c1F	1595907989	LAUMOOPNGRHESH-GFCCVEGCSA-N	309.341	1.841	50	20	DDGD	
CN(CCCCNC(=O)NNc1cccc(C(=O)O)c1)C1CC1	1598476196	HFDIVVVXSVMFMT-UHFFFAOYSA-N	320.393	1.885	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@H]1CCOC[C@H]1C	1599375973	KAWWVQPTCPYMSE-KOLCDFICSA-N	308.334	1.509	50	20	DDGD	
CCC[C@@](C)(CC)C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1590542850	LDBBTXPWDUJBFN-CQSZACIVSA-N	303.370	1.921	50	20	DDGD	
C[C@H]1CC(=O)CC[C@H]1C(=O)NNc1ccc(C(=O)O)cc1F	1594197535	UOQYUKMFBHKUCZ-GZMMTYOYSA-N	308.309	1.972	50	20	DDGD	
N#C/C(=C\c1cccc(-c2nn[nH]n2)n1)C(=O)NC1CCCCC1	1592662386	MWSQNYYAPSBOLY-PKNBQFBNSA-N	323.360	1.618	50	20	DDGD	
CO[C@@]1(CNC(=O)NNc2cccc(C(=O)O)c2C)CCOC1	1599089102	BOPWLLKSVWPLOK-OAHLLOKOSA-N	323.349	1.125	50	20	DDGD	
O=C(O)[C@@H](C(=O)NNc1nc2ccccn2n1)C1CCCC1	1594836231	QKJFLHAKQQNRSJ-LLVKDONJSA-N	303.322	1.063	50	20	DDGD	
Cn1cc(C(=O)O)cc1C=NNC(=O)NCCc1cccs1	1776039276	DYRUXBMEQVHUDA-UHFFFAOYSA-N	320.374	1.661	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)O)CCC1=NNC(=O)c1ccc(C(=O)O)cc1	1776101141	SMURRQWVYYSJPX-SKDRFNHKSA-N	318.329	1.991	50	20	DDGD	
Cc1nnc(NNC(=O)Cc2ccc3ccccc3c2)[nH]c1=O	11548001	BRQNXKAUJBLYSV-UHFFFAOYSA-N	309.329	1.312	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cc(F)cc2cccnc12	163282453	ARXPNSJGWRSQJW-UHFFFAOYSA-N	324.315	1.773	50	20	DDGD	
C[C@H](N(C)CC(=O)NNC(=O)c1cccc(C#N)c1)C1(C)CC1	166332292	BFZLDAYOFBSDAO-LBPRGKRZSA-N	314.389	1.440	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCc1ccc(F)cc1F	152110564	GIQJCYXPTCXFAS-UHFFFAOYSA-N	307.300	1.697	50	20	DDGD	
CCc1nc(CC(=O)NNc2ncccc2[N+](=O)[O-])cs1	153507467	HODHIYRLXSGRGA-UHFFFAOYSA-N	307.335	1.695	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)o1	155773685	OIJLFIWTCIGBHX-CYBMUJFWSA-N	323.393	1.452	50	20	DDGD	
CCn1cc(C(=O)NNc2ccc(OC)cc2[N+](=O)[O-])cn1	155331498	YSHYWSGJSRKYRZ-UHFFFAOYSA-N	305.294	1.577	50	20	DDGD	
Cn1cc(C(=O)NNc2cccc(C(F)(F)F)n2)ccc1=O	155997304	FNEQYWRBNOQNMX-UHFFFAOYSA-N	312.251	1.556	50	20	DDGD	
NC(=O)C1(NS(=O)(=O)c2ccc(CCCCl)cc2)CC1	156660409	CVWUHEFGRJAXQH-UHFFFAOYSA-N	316.810	1.154	50	20	DDGD	
COC(=O)C[C@H]1CCCCN1S(=O)(=O)CBr	127347601	OOGSTNOEQWCCFT-MRVPVSSYSA-N	314.201	1.086	50	20	DDGD	
CCN1C[C@@H](C(=O)NNc2cc(F)c(F)cc2F)CC1=O	172086731	UUBNVZVTXLEKDJ-ZETCQYMHSA-N	301.268	1.415	50	20	DDGD	
CC(C)Oc1ccccc1CC(=O)NNC(=O)c1cnn(C)c1	117680404	VDVMLTURQFSKLG-UHFFFAOYSA-N	316.361	1.211	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCC2CCOCC2)c(O)c1	175552193	UJZDOOUEMNOGTA-UHFFFAOYSA-N	306.362	1.668	50	20	DDGD	
Cc1cscc1C(=O)NNC(=O)[C@H]1COc2ccccc2O1	175253080	LGJSRUWZYXIOQQ-CYBMUJFWSA-N	318.354	1.658	50	20	DDGD	
COc1ccnc(NNC(=O)c2cnn(C(C)(C)C)c2C)n1	52582172	KLHBEYIJTHECMJ-UHFFFAOYSA-N	304.354	1.502	50	20	DDGD	
CC(C)CCCCCCNC(=O)NNC(=O)c1cnn(C)c1	118052917	VLBGTKRDLAIQMA-UHFFFAOYSA-N	309.414	1.971	50	20	DDGD	
Cc1ncccc1NC(=O)C(=O)NNc1ccc([N+](=O)[O-])cc1	119121891	BMGPLVUVJQTCEY-UHFFFAOYSA-N	315.289	1.380	50	20	DDGD	
O=C(NCc1coc(-c2ccccc2)n1)NNc1ncccn1	175619823	MALAVFRPNHEWCL-UHFFFAOYSA-N	310.317	1.958	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)Cc2ccoc2)nc1C	119041781	DHNUJEXNJHJRFL-UHFFFAOYSA-N	304.306	1.241	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccc([N+](=O)[O-])cc1F	60411231	TWHCPRCVSPEICP-UHFFFAOYSA-N	324.190	1.240	50	20	DDGD	
CO[C@@H](C)C(=O)NNC(=O)c1cc(F)ccc1Br	171338585	AXJAFGZLUPSRRR-LURJTMIESA-N	319.130	1.384	50	20	DDGD	
O=C(CCc1nccs1)NNC(=O)NCCc1cccs1	65198120	JCMJDCTYNMFBMT-UHFFFAOYSA-N	324.431	1.710	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC(C)(C)C[C@@H](C)O)s1	175913060	YSLANALUJOJIEG-SECBINFHSA-N	313.423	1.798	50	20	DDGD	
Cc1ccnc(NNC(=O)CNC(=O)c2ccc(C#N)cc2)c1	176754294	YUMGVWCBBOZBIG-UHFFFAOYSA-N	309.329	1.135	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNC(=O)COc1ccc(F)cc1	26508906	VBWAJZZZXZTGOW-UHFFFAOYSA-N	321.308	1.199	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCCN(CC)c1ccccc1	66698097	IBAYPSRXPJKIEJ-UHFFFAOYSA-N	322.409	1.270	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1csc(-c2cnn(C)c2)n1	64425080	XIADGJLANWCTAJ-UHFFFAOYSA-N	322.394	1.288	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)NC1CCCC1	68283566	JIOLHPMUMYIQHE-YGRLFVJLSA-N	319.361	1.488	50	20	DDGD	
N#Cc1ccc(NNC(=O)CNC(=O)c2cccc(F)c2)cc1	120018391	VYSLOCXHXPEJDI-UHFFFAOYSA-N	312.304	1.570	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)c1ccc(C#N)cc1)c1ccccc1	129099742	KJBNQOFWRDCSOB-HNNXBMFYSA-N	309.325	1.707	50	20	DDGD	
CCOc1ncccc1NC(=O)NNC(=O)c1ccccc1	63605505	BSPFCRQKRJKKLA-UHFFFAOYSA-N	300.318	1.947	50	20	DDGD	
CC(C)NS(=O)(=O)Cc1ccccc1CNC=C(C#N)C#N	78262402	SASHTTJIUIYFSM-UHFFFAOYSA-N	318.402	1.535	50	20	DDGD	
CN(C)c1ccc(CNC(=O)NNC(=O)c2ccc[nH]2)cc1F	125354486	YVKGEVLZLTUNFG-UHFFFAOYSA-N	319.340	1.364	50	20	DDGD	
C[C@@H]1CCC[C@@H](OCCCCCC(=O)NNC(=O)CO)C1	182763370	PRHKJQTXFUVVPN-CHWSQXEVSA-N	300.399	1.282	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc[nH]2)c(OC(C)C)c1	189731452	PBUQMLHKQGYADT-UHFFFAOYSA-N	317.345	1.885	50	20	DDGD	
CC(C)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)c2cnn(C)c2)CC1	187447070	MALKEDMTSQGZAA-TZMCWYRMSA-N	321.425	1.969	50	20	DDGD	
O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cccc(CCl)c1	38083250	UUDIVSKIFARBCO-NSHDSACASA-N	301.795	1.590	50	20	DDGD	
CS[C@@H](C)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	33224965	YUNPDSDKYFSLHI-IUCAKERBSA-N	300.355	1.492	50	20	DDGD	
CC(C)[C@]1(C)C[C@@H]1C(=O)NNC(=O)COc1ccc(C#N)cc1	185206624	CNXWTSIHKIOTNY-PBHICJAKSA-N	315.373	1.767	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1cccc(F)c1	78193021	XCRJOCPGPGWEAU-UHFFFAOYSA-N	302.305	1.804	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C2CC=CC2)cc1	77733655	RRGUVUSJYWHEPG-LBPRGKRZSA-N	318.373	1.966	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1ccc(C(F)(F)F)cn1)C(C)C	131614282	LHTWBTBTNRVAIQ-LLVKDONJSA-N	318.299	1.704	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NNc1ccc(C(F)(F)F)cn1	186931752	ZXQHSVAWNVUCKB-BQYQJAHWSA-N	300.240	1.987	50	20	DDGD	
COCCCC(=O)NNC(=O)CCSc1ccc(F)cc1	78882621	WNWSWXVWOITWNM-UHFFFAOYSA-N	314.382	1.882	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2cc(C)cc(C)c2)n(C)n1	131887418	JJIHDOBZXMEHDD-UHFFFAOYSA-N	315.377	1.681	50	20	DDGD	
N#Cc1cc(F)c(C(=O)NNC(=O)c2cccnc2)c(F)c1	133062243	KFGFIVPWKIGKFB-UHFFFAOYSA-N	302.240	1.306	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)CSCC#N)cc2C1	42017504	MPPAVBLXVGTWCY-VIFPVBQESA-N	323.443	1.891	50	20	DDGD	
O=C(NCCCN1CCCCC1)NNC(=O)c1ccccc1O	192947145	VBSAWVSMIJIOAB-UHFFFAOYSA-N	320.393	1.212	50	20	DDGD	
Cc1sc(=O)n(CC(=O)NNc2ccc([N+](=O)[O-])cc2)c1C	133985907	NDZVRLSMFSUVNM-UHFFFAOYSA-N	322.346	1.578	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc2ccccc2nc1C	192546738	ZLBVODIDHSLEEG-UHFFFAOYSA-N	300.387	1.838	50	20	DDGD	
O=C(CSc1nncs1)NNc1ccccc1[N+](=O)[O-]	49065721	AMWGZCDLVGZANJ-UHFFFAOYSA-N	311.348	1.682	50	20	DDGD	
CN(C)C(=O)NNC(=O)COc1ccc(Cl)cc1Cl	194471252	QXDXZSLTCHNJKT-UHFFFAOYSA-N	306.149	1.675	50	20	DDGD	
C[C@@H](N)CCC(=O)NNc1nc(-c2ccc(Cl)cc2)no1	193251141	MYWVIEUDBGCOPM-MRVPVSSYSA-N	309.757	1.961	50	20	DDGD	
CC1(C)[C@H](NC(=O)NNc2cncc(Cl)n2)[C@@H]2CCO[C@H]21	247018457	QRWNJTWQCNJUSN-WHGOUJPWSA-N	311.773	1.570	50	20	DDGD	
O=C(/C=C\c1ccc(Cl)nc1)NNC(=O)c1ccncc1	255006145	MPTOMGWCDOKCRS-RQOWECAXSA-N	302.721	1.604	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2CC[C@@H](C)C[C@H]2C)n1	265853409	QKHDOACPHRNOKS-ZYHUDNBSSA-N	324.450	1.262	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)COc2cc(C)ccc2C)O1	268329527	NALLHCWSRZZYTG-KBPBESRZSA-N	320.389	1.787	50	20	DDGD	
CC(=O)NNC(=O)CN(C(=O)OC(C)(C)C)c1ccccc1	268956495	KCCDKJMPXINYPC-UHFFFAOYSA-N	307.350	1.595	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)COc2cc(C)ccc2C)O1	268329531	NALLHCWSRZZYTG-ZIAGYGMSSA-N	320.389	1.787	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)c2ccc(Cl)nc2)c1C	263880092	WSCFYFUSOBPBQN-UHFFFAOYSA-N	321.768	1.643	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1cnn(C)c1)c1ccc(F)cc1	265366443	FYEFWUDNJXUNMX-JTQLQIEISA-N	319.340	1.307	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cc(O)nc2ccc(F)cc12	265647620	NQEGHYCQNVHTEK-UHFFFAOYSA-N	305.309	1.887	50	20	DDGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@H]1C[C@@H](O)CN1	269196919	SSCKUMQCHNCCLK-HZGVNTEJSA-N	324.595	1.813	50	20	DDGD	
CO[C@@H](CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C)C(C)C	266657348	BPTVVMPTBHTCAY-CQMBDMNQSA-N	314.389	1.899	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NNc1cccc([N+](=O)[O-])c1C	269595382	IIDLAFAGLSRFHO-SNVBAGLBSA-N	309.326	1.183	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1nc(-c2cccnc2)no1)N(C)C	268361250	CNXSKTMPRAFALI-LLVKDONJSA-N	304.354	1.161	50	20	DDGD	
CC[C@H](C)[C@@H](NC(=O)NNC(=O)c1cccn1C)C(F)(F)F	278687538	PNCYABKSKZWABN-WCBMZHEXSA-N	320.315	1.946	50	20	DDGD	
CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)COc1cccc(C)c1	273171652	FGAGOAJGZPOJMA-ZDUSSCGKSA-N	321.421	1.688	50	20	DDGD	
CCOC(=O)[C@@H](CC(C)C)NNC(=O)COCc1ccccc1	272741430	HELYZSMYXHUUJT-OAHLLOKOSA-N	322.405	1.802	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NC[C@H]1CN2CCC[C@H]2CO1	364271033	VQNJREJAVKTWGA-STQMWFEESA-N	322.384	1.623	50	20	DDGD	
O=C(CNC(=O)C1CCCCC1)NNc1cc(Cl)ccn1	272148150	AEJFXOANVYXNKH-UHFFFAOYSA-N	310.785	1.875	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1C[C@@]12CCc1ccccc12	369453395	UTBOOHQQKUJDGP-RHSMWYFYSA-N	310.357	1.004	50	20	DDGD	
CC(C)O[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc[nH]2)C1(C)C	274493348	KMNAKMLETQTLET-VXGBXAGGSA-N	308.382	1.551	50	20	DDGD	
C[C@@H]1CCC[C@H]1CC(=O)NNC(=O)COc1ccccc1O	274455819	NOFGYUJSPIZOEW-NEPJUHHUSA-N	306.362	1.745	50	20	DDGD	
C[C@H](O)c1cn(CC(=O)NNc2ccc(C(C)(C)C)cc2)nn1	273014451	QPARGOUZXCOPQU-NSHDSACASA-N	317.393	1.772	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNc1nnc(-c2ccccn2)s1	377094948	PXCILVCMWXSZDH-KOLCDFICSA-N	321.406	2.104	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2CCCN2c2ccccc2)n1	373628968	DNKYHSSQWLBAHW-INIZCTEOSA-N	324.384	1.820	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](C)Cn1ccc2ccccc21	285898826	UVTWOMAYQSGGGT-LBPRGKRZSA-N	302.378	1.970	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H]1CCc2cc(C)ccc2O1	280588383	MZSSVCRGQKDSLE-CQSZACIVSA-N	321.377	1.056	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCCCO2)cc1F	296749584	PPFUJHIAIXNRBT-GFCCVEGCSA-N	316.354	1.013	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@@H]2CCCC23OCCO3)c1	807183815	TZUAHZCDGKLTKB-JTQLQIEISA-N	322.752	1.593	50	20	DDGD	
CC(C)N(CCCNC(=O)NNc1ncncc1F)C(C)C	292956154	HGDBDPPRMGOKLG-UHFFFAOYSA-N	312.393	1.751	50	20	DDGD	
COCCCn1nccc1C=NNC(=O)c1ccccc1OC	802711708	WMDJTUANPNNCPY-UHFFFAOYSA-N	316.361	1.692	50	20	DDGD	
CCc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)Cc1cc[nH]n1	801884458	KGOSNXCDHLUNIR-LSDHHAIUSA-N	312.373	1.466	50	20	DDGD	
C[C@](O)(CCc1ccccc1)C(=O)NNc1ncncc1F	294235449	ZNHSIKBQTYSOEK-HNNXBMFYSA-N	304.325	1.443	50	20	DDGD	
CC[C@H](CO)C(=O)NNC(=O)Nc1cc(OC)ccc1Cl	802117056	WPAIEUVUDOKUPO-MRVPVSSYSA-N	315.757	1.520	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1ccoc1CC(N)=O	803351438	ORZSVOSXPBXGDB-UHFFFAOYSA-N	316.317	1.082	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)c(F)c1)NNc1ncccc1F	804212874	HWTRVUCHKPMYIV-UHFFFAOYSA-N	324.262	1.372	50	20	DDGD	
COc1cccnc1CC(=O)NN=c1cc[nH]c2ccccc12	806811509	PXOQAZGZKGXDRM-UHFFFAOYSA-N	308.341	1.746	50	20	DDGD	
CC(C)CNC(=O)N1CCC[C@@H](C(=O)NCC(Cl)Cl)C1	808128686	BTFBWMCJHVVCRL-SNVBAGLBSA-N	324.252	1.984	50	20	DDGD	
Cc1cc(NNC(=O)C[C@H]2COc3ccccc3O2)nc(C)n1	295742165	GLAGAUJLBDFQHN-LBPRGKRZSA-N	314.345	1.767	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccc(F)c(C(C)=O)c1	806575569	GXQHUEUQKDJORF-UHFFFAOYSA-N	319.296	1.976	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Cc2c[nH]c3cc(F)ccc23)O1	294212203	LRRWGNIJJQMPJY-XPTSAGLGSA-N	319.336	1.564	50	20	DDGD	
COc1cc(C)cnc1C(=O)NNc1ccc2c(=O)[nH]ccc2c1	803430502	HKUPOPZNBFKRDQ-UHFFFAOYSA-N	324.340	1.997	50	20	DDGD	
Nc1c(C(=O)NNc2cccc(F)n2)cc(F)cc1[N+](=O)[O-]	804771087	GJGYSWKENYQXNU-UHFFFAOYSA-N	309.232	1.607	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2cc(Cl)ccn2)sn1	807013335	PFOZUXSNBVKMFE-UHFFFAOYSA-N	311.754	1.582	50	20	DDGD	
COc1ccccc1SCC(=O)NN=Cc1cn(C)nc1O	814225376	RRINWAZIJGFUCR-UHFFFAOYSA-N	320.374	1.377	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@H]1C[C@@H](c2ccccc2)OC1=O	811526039	PDAGQQLYFWDXBS-NEPJUHHUSA-N	315.304	1.968	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)[C@@]23CCC(=O)N2CCS3)c1	811972072	KHMNAXBWPQKLGS-HNNXBMFYSA-N	305.403	1.812	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCc1cccc(C(=O)O)c1	819927513	LAEFYDYZWKUTHP-UHFFFAOYSA-N	309.322	1.624	50	20	DDGD	
COc1cnc(C(=O)NNC(=O)c2cccc(Cl)c2)nc1	814724228	JXXVFYVWINSSKY-UHFFFAOYSA-N	306.709	1.213	50	20	DDGD	
COc1ccnc(NNC(=O)c2cn(C)nc2C2CCC2)n1	819842170	JSSYBPWWOUSKOK-UHFFFAOYSA-N	302.338	1.243	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1ccc(Cl)cc1)c1ccccc1	813362653	XLOBHMDPUDAZQT-ZDUSSCGKSA-N	304.733	1.835	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(-n3ccnc3)nn2)ccc1O	813610438	LBWQLHUDLMFPLX-UHFFFAOYSA-N	324.344	1.687	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CCc2ccc(C#N)cc21	811643245	YUCJOHYFGQECFI-UHFFFAOYSA-N	312.373	1.630	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NOC/C=C/Cl)c1	811982844	FCHPTHTWYJNMGC-QPJJXVBHSA-N	312.757	1.381	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1ccc(Cl)cc1F)c1ccc[nH]1	813377801	FUEZNKFILSMMPP-NSHDSACASA-N	311.700	1.302	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=Cc1snnc1C	814213334	IHDJJDQUTPZVTN-UHFFFAOYSA-N	320.374	1.774	50	20	DDGD	
CCOc1ccc(NNC(=O)C[C@H]2SC(=N)NC2=O)cc1	817899036	GAGYNLRHSKSDAF-SNVBAGLBSA-N	308.363	1.085	50	20	DDGD	
Cn1nncc1NNC(=O)c1cc(Cl)nc(N2CCCC2)c1	816772082	MHDYBKUFVJOZMP-UHFFFAOYSA-N	321.772	1.221	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC(F)(F)F)c2n[nH]cc2c1	726621987	PQTMVYBYHWXBMM-UHFFFAOYSA-N	300.240	1.585	50	20	DDGD	
O=C1C[C@H](C(F)(F)F)[C@H](C(=O)NNc2cccc(F)c2)CN1	821147866	LPJKMIGLMRRTEG-ZJUUUORDSA-N	319.258	1.583	50	20	DDGD	
O=C(CCCC(=O)C1CC1)NNC(=O)c1cccc([N+](=O)[O-])c1	822122214	OPBFYCFZUNMOOR-UHFFFAOYSA-N	319.317	1.505	50	20	DDGD	
CC[C@H]1CCCN1C(=O)NNC(=O)c1c(C)nc2ccccn12	728944853	MOVOGQPPNWJRCA-LBPRGKRZSA-N	315.377	1.872	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=S)Nc1ccc(F)cc1F	726871988	QPLCCQIHKQKKTC-UHFFFAOYSA-N	323.328	1.805	50	20	DDGD	
CCOc1ccc(NNC(=O)/C=C2\SCC(=O)N2C)cc1	823169483	QGWOKWKBSYHKBP-ZSOIEALJSA-N	307.375	1.575	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)C1CCOCC1	824040375	OOYYSAKXDLRYOQ-SNVBAGLBSA-N	316.365	1.373	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)COCC(F)(F)F	822728377	RJHWDALOUJOGCN-UHFFFAOYSA-N	324.230	1.634	50	20	DDGD	
CCc1nc(C(=O)NNC(=S)NCCc2cccs2)co1	820171412	QFDSPJPDMBVKNG-UHFFFAOYSA-N	324.431	1.650	50	20	DDGD	
C#CCN(CC(=O)NNC(=O)C(C)(C)C)Cc1ccccc1	491426626	HDDGFXCORLMADX-UHFFFAOYSA-N	301.390	1.315	50	20	DDGD	
O=C(NC[C@H]1CCC[C@@H]1c1ccccc1)c1ccc(B(O)O)cc1	584994623	BXTKCGOCPMLFKR-SJLPKXTDSA-N	323.201	1.680	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1	823886770	WVICLDHPRAHHHM-GXTWGEPZSA-N	300.362	1.885	50	20	DDGD	
Cc1cccc(OCCNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	825558479	KTQXNOQARYPOGG-TZMCWYRMSA-N	321.377	1.129	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1Cc2ccccc2OC[C@H]1C	828770727	FNWKRYDYKQOSIZ-GFCCVEGCSA-N	305.378	1.073	50	20	DDGD	
CC1(C)C[C@]1(C(=O)Nc1cccc(B(O)O)c1)c1ccccc1	584910678	CXMUPTPJFHOZQG-GOSISDBHSA-N	309.174	1.673	50	20	DDGD	
CC(C)[C@@H](NCc1ccccc1B(O)O)[C@H](O)c1ccccc1	585038844	LMDZAOIBGJXZQS-QZTJIDSGSA-N	313.206	1.214	50	20	DDGD	
CCOC(=O)C1CCN(C(=O)[C@@]2(C)C[C@@H]2Br)CC1	905044659	WTBYNSPHKUCALD-GWCFXTLKSA-N	318.211	1.962	50	20	DDGD	
CCCC[C@@H](NC(N)=O)C(=O)NN(C)C(=O)OC(C)(C)C	497165550	YEWUWJFXVKPORE-SECBINFHSA-N	302.375	1.112	50	20	DDGD	
C[C@@H](OCC1CC1)C(=O)NNC(=O)C(C)(C)c1ccccc1	731176548	VWTUKQHGKGARJU-GFCCVEGCSA-N	304.390	1.927	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2C[C@H](C)OC3(CCC3)C2)n1	826670526	QPUVYDMUKZRXMQ-LBPRGKRZSA-N	318.377	1.388	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](c2ccccc2F)C1	732201675	JZKNENNYCJYKSV-VXGBXAGGSA-N	307.369	1.561	50	20	DDGD	
CSCCNC(=S)NNC(=O)/C=C/c1ccc(O)cc1	492610789	HGHCGPKACSPQLF-QPJJXVBHSA-N	311.432	1.264	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1ccc2c(c1)OCCO2	735414852	GKOLVNFFLIRPSR-VIFPVBQESA-N	310.375	1.496	50	20	DDGD	
CNC(=O)NN=C1CCOC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C	496711264	ANYNIYASWAIKAI-NXEZZACHSA-N	314.386	1.221	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCC(Cc2ccccc2)CC1	584924487	VDBKZHMYDDOFBL-UHFFFAOYSA-N	323.201	1.461	50	20	DDGD	
O=C(NCCn1cccn1)NNc1cc(C(F)(F)F)ccn1	836345478	JQBCHKHFRMFDQH-UHFFFAOYSA-N	314.271	1.623	50	20	DDGD	
CC(=O)N1CC[C@H](CN(C)C(=O)[C@@]2(C)C[C@H]2Br)C1	907124012	OGCHKVFCKANAKF-WZRBSPASSA-N	317.227	1.487	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCSC[C@H]2C2CC2)cn1	491006499	DLZVSAINPQFMMW-XMRSSTEGSA-N	302.403	1.681	50	20	DDGD	
CN(C)c1nc(CNC(=O)[C@@]2(C)C[C@H]2Br)cs1	906887082	XZQJFHNVNQABCM-KCJUWKMLSA-N	318.240	1.999	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1csc(-c2ccccc2)n1	730513138	PMMDDDAOIIKWCK-UHFFFAOYSA-N	311.388	1.530	50	20	DDGD	
O=C(O)COc1ccc(C=NNC(=O)C2CCC2)cc1[N+](=O)[O-]	731936226	MRKDALYMSNXMQX-UHFFFAOYSA-N	321.289	1.308	50	20	DDGD	
Cc1nc2c(s1)CCC[C@H]2CNCc1cccc(B(O)O)c1	585039314	QERBBKDVTLTYFI-ZDUSSCGKSA-N	316.235	1.341	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCc3c(Cl)cccc32)cc1	585019592	DEYAOICQKSTTKU-INIZCTEOSA-N	301.582	1.797	50	20	DDGD	
CC(C)N1CC[C@H](NC(=O)[C@@]2(C)C[C@H]2Br)C1=O	906703450	RGWZFPXFAMWAIF-SBMIAAHKSA-N	303.200	1.285	50	20	DDGD	
COCCSCCCOC(=O)/C(C#N)=C\c1cnn(C)c1	837971553	PLMYROKJJWVXDG-JYRVWZFOSA-N	309.391	1.640	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)COc2ccc(C#N)cc2)CCCCO1	837309380	LLUBJVJCVOAYHS-INIZCTEOSA-N	317.345	1.044	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)Cc1cccc(C(=O)O)c1	833430497	FJNWZOPYKNGJRL-UHFFFAOYSA-N	309.391	1.221	50	20	DDGD	
CO[C@H](C1CC1)[C@@H](C)NC(=O)NNC(=O)CCc1ccccc1	836642212	RMZXIRLGLPITCA-WBMJQRKESA-N	319.405	1.763	50	20	DDGD	
COC(=O)c1cccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	831241094	OERRCGDVYBJWED-SKDRFNHKSA-N	321.333	1.051	50	20	DDGD	
COCCCNC(=O)NNC(=O)C(C)(C)Nc1ccccc1	906417268	KUEYTISRNPFKPF-UHFFFAOYSA-N	308.382	1.244	50	20	DDGD	
C[C@@H]1CC=C(C(=O)NNc2nccc(N3CCOCC3)n2)CC1	839704205	PMXQMGMKVXPSNM-GFCCVEGCSA-N	317.393	1.503	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC(F)(F)F)c2c1CCC2	831754903	ZTDGQNRBWMPBTN-UHFFFAOYSA-N	315.295	1.990	50	20	DDGD	
O=C(NCCOC[C@@H]1CCOC1)NNc1c(F)cccc1F	735759491	DIGZXORZQAFUMS-SNVBAGLBSA-N	315.320	1.644	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2C[C@H]2C(=O)O)cc1C	738627605	IJCXEVGKMHUBHK-WDEREUQCSA-N	307.375	1.342	50	20	DDGD	
OB(O)c1ccc(CNC[C@H]2CCC3(CCCCC3)O2)c(F)c1	585038248	XRGXQQWWWLYETO-OAHLLOKOSA-N	321.201	1.477	50	20	DDGD	
C[C@@H](NCc1cccc(B(O)O)c1)c1ccccc1OC(F)F	585015400	YUZFFXPWMNOWBZ-LLVKDONJSA-N	321.132	1.819	50	20	DDGD	
C[C@]1(C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)C[C@@H]1Br	907270795	NCSOTJLPIGEFBD-FWDPORAESA-N	315.211	1.287	50	20	DDGD	
Cc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H]2CCCCO2)cc1	833262010	SNZDQKSLUKIZBG-TZMCWYRMSA-N	306.362	1.479	50	20	DDGD	
CCCOc1ccc(C(=O)NN=Cc2ncc[nH]2)cc1OC	731151041	LCUCCFYZFGZDQR-UHFFFAOYSA-N	302.334	1.971	50	20	DDGD	
COC(=O)c1occc1C=NNC(=O)c1ccnc(N(C)C)c1	731561782	WPESGIIUKNHEJE-UHFFFAOYSA-N	316.317	1.291	50	20	DDGD	
C[C@H](Oc1cccc2ccccc12)C(=O)N1CC[C@@H](B(O)O)C1	585063684	FMPKYSGDXJOOFM-GXTWGEPZSA-N	313.162	1.682	50	20	DDGD	
O=C(NNC(=O)c1cccc(OC(F)F)c1)NOC1CCC1	836276730	NYJRBUUKWUTDFL-UHFFFAOYSA-N	315.276	1.716	50	20	DDGD	
C[C@H]1CC(=NNC(=O)CNC(=O)c2cccs2)c2nccn21	834952056	KITHCEJNSDGQFZ-VIFPVBQESA-N	317.374	1.160	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2CSc3ccccc32)n1	735585753	HTQVHRDCJMDBEW-SNVBAGLBSA-N	317.374	1.958	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNc1nc(O)c2ccccc2n1	839703066	ZQGJRFAKWKFUKK-SECBINFHSA-N	318.333	1.368	50	20	DDGD	
CN(CCO)c1ccc(C=NNC(=O)NCC(F)(F)F)cc1	917550928	DZVKXSLUCJCJHX-UHFFFAOYSA-N	318.299	1.311	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1	915109852	NWXREMOZUGNLIB-ZDUSSCGKSA-N	324.425	1.108	50	20	DDGD	
Cc1nc2c(cnn2C(C)C)cc1C(=O)NN(C)C[C@H](C)O	910179355	LIKAXWCWXACSBE-JTQLQIEISA-N	305.382	1.278	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccc(Cl)c1)c1cnn(C)c1	749864950	FBXOBHSCHRRVSI-SECBINFHSA-N	306.753	1.638	50	20	DDGD	
O=C(Cn1ccsc1=O)NNC(=O)c1ccc(Cl)cc1	746642654	BGNATJXEWGXMAC-UHFFFAOYSA-N	311.750	1.024	50	20	DDGD	
NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	848189742	PSGOUJSNQOTPSD-SFYZADRCSA-N	312.713	1.203	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc2ccc(F)cc2c1	843660370	KBUPHRVYBGMQHJ-TVQRCGJNSA-N	317.320	1.560	50	20	DDGD	
C[C@H]1OCCC1=NNC(=O)CSc1nc2ccccc2n1C	747765520	AKXQZDCJJSYMFX-SNVBAGLBSA-N	318.402	1.946	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Cc1c[nH]c2ccccc12)[C@@H](C)O	842225187	TYHVUXMCVQTLJU-ZYHUDNBSSA-N	303.362	1.265	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2ccc3c(c2)OCO3)n1	746625600	OVKRFBUUACLBHW-UHFFFAOYSA-N	316.317	1.208	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1cc(F)ccc1F	843649926	YUBQFVQBSUBQLP-SKDRFNHKSA-N	312.316	1.470	50	20	DDGD	
O=C(NNc1ccc(F)cc1)[C@@H]1CCN[C@H]([C@@H]2CCCO2)C1	912447904	LAQOUPDYOHWAPB-UGFHNGPFSA-N	307.369	1.816	50	20	DDGD	
Cc1nn(C)c2ncc(C=NNC(=O)NCC(F)(F)F)cc12	747610638	FYTXCCNUCZCRIR-UHFFFAOYSA-N	314.271	1.472	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCO[C@H](c2ccccc2)O1)C1CCC1	847482193	RJHFVFYMCGTBFJ-CJNGLKHVSA-N	304.346	1.438	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1cn(C)c(=O)n1C	910476538	NDTRSMXLMCAUNY-UHFFFAOYSA-N	324.772	1.048	50	20	DDGD	
C[C@H](O)CN(CC(=O)NNC(=O)C(C)(C)C)c1ccccc1	744391986	ACVBSBHOAFAXCD-LBPRGKRZSA-N	307.394	1.067	50	20	DDGD	
COC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)NC2CCCC2)C1	746174916	VWIOIVBSTORPIC-QWRGUYRKSA-N	311.382	1.239	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@H](C)OCC(C)C)cc1	846372747	ZUCIAGUTAQBAHA-LBPRGKRZSA-N	308.378	1.906	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccc3ncccc3c2)n1	740103380	ZYBZRCIXGMMQNI-UHFFFAOYSA-N	308.345	1.848	50	20	DDGD	
COc1cccc(-c2cc(C(=O)NN(C)C[C@@H](C)O)n[nH]2)c1	910159648	ABJMCEUNWJBWFA-SNVBAGLBSA-N	304.350	1.043	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H](CC(C)C)OC)cc1	841435389	RLGGWZDAKUGFML-ZDUSSCGKSA-N	309.366	1.909	50	20	DDGD	
Cc1cccc(C)c1OCCC(=O)NNC(=O)[C@H]1CCO[C@H]1C	843648187	WJXCIFGMCLZRCO-KBPBESRZSA-N	320.389	1.645	50	20	DDGD	
O=C(NCCCN1CCCC1)NNC(=O)c1cccc(Cl)c1	916195645	DABHCRLAHYGHFC-UHFFFAOYSA-N	324.812	1.770	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)[C@@H]2CCO[C@@H]2C)C[C@@H]1C	842562427	PVOYBZBCIHLQDF-OIMNJJJWSA-N	310.394	1.883	50	20	DDGD	
Cc1ccn2cc(C(=O)NNC(=O)Cc3ccncc3)nc2c1	747319132	IESFJAZTCAWDMS-UHFFFAOYSA-N	309.329	1.041	50	20	DDGD	
CCNCCCNC(=O)NNC(=O)c1cccc2cccnc12	841917581	KGRURNBQEQLIEH-UHFFFAOYSA-N	315.377	1.178	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(C)c1	843648294	PYRBNJJLGIDMLJ-CHWSQXEVSA-N	306.362	1.255	50	20	DDGD	
Cc1ccoc1CC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	849869848	LEUAQOUSXIQHFR-NSHDSACASA-N	310.350	1.256	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H](C#N)CCc1ccccc1	843973182	XFMMHTHCIDDYPC-QEJZJMRPSA-N	315.373	1.331	50	20	DDGD	
C=CCCn1cc(/C=C(\C#N)C(=O)NCCCOC(C)C)nn1	849244094	SPCZGFKRHDTXDG-GXDHUFHOSA-N	317.393	1.692	50	20	DDGD	
CCc1ccc(C(=O)NNS(=O)(=O)c2cncc(F)c2)cc1	749152507	RRKLLEPTUYOYAF-UHFFFAOYSA-N	323.349	1.406	50	20	DDGD	
NC[C@@H](NC(=O)NNC(=O)c1cccc2ccccc12)C1CC1	841945317	GGUHTPQJIYOAEL-OAHLLOKOSA-N	312.373	1.521	50	20	DDGD	
C[C@H](C(=O)NNc1ccccc1S(N)(=O)=O)C1CCCC1	842262134	QSVNBXACSLEVBP-JTQLQIEISA-N	311.407	1.603	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C1CCN([C@H]2CCSC2)CC1	848143782	FKIPMORCBXPDNR-ZDUSSCGKSA-N	311.451	1.151	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@H]2CCc3cncn3C2)c1	844137609	OQILDTNPBHHTPJ-JTQLQIEISA-N	316.752	1.509	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc(/C=C\C(=O)OC)o1	848639433	ULOBPEKOIIKTBR-AZFXQDNWSA-N	304.302	1.135	50	20	DDGD	
Cc1cc(C)c2c(c1)OCCC2=NNC(=O)C[n+]1ccccc1	920361340	LREBDSWMTOJTMY-UHFFFAOYSA-O	310.377	1.894	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)C[C@H](C)c1ccco1	859539806	RGUUQIJADKGNJG-JTQLQIEISA-N	309.366	1.225	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@@H](CO)c1ccc(F)cc1	753343724	IHJOLGNFBHLSBB-ZDUSSCGKSA-N	309.341	1.380	50	20	DDGD	
CC(=O)N1CCC(=NNC(=O)[C@H]2CCCCO2)c2ccccc21	857209852	HFPXRQZOWNMJDN-MRXNPFEDSA-N	315.373	1.833	50	20	DDGD	
CN(C)CCOCCNC(=O)NNc1cc(F)cc(Cl)c1	854016578	LRDSIMOFLFKSEV-UHFFFAOYSA-N	318.780	1.683	50	20	DDGD	
CCN(CC)c1ccc(C(=O)NNC(=O)[C@H]2CCOC2)cc1	921203223	UVWWFKXXAZHKAO-ZDUSSCGKSA-N	305.378	1.330	50	20	DDGD	
CC[C@H](C)[C@H](C)NCC(=O)NNC(=O)c1ccc(C#N)cc1	754167308	IYQBTHMLKOOODC-RYUDHWBXSA-N	302.378	1.343	50	20	DDGD	
N#CCc1cccc(C(=O)NNC(=O)OCC(F)(F)F)c1	856025761	YROUWIDNBHIOSF-UHFFFAOYSA-N	301.224	1.686	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@H]2C=NNC(=O)c2ncccn2)cn1	853358010	RHKJOUWWKZQKIZ-WCQYABFASA-N	314.349	1.186	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CN(Cc2ccccc2)C[C@H]1C	751519835	BILZITHNANTNFQ-CYBMUJFWSA-N	316.405	1.135	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)NC2CC=CC2)cc1OC	759786887	LKELQOKVCAOXLE-UHFFFAOYSA-N	319.361	1.757	50	20	DDGD	
Cc1noc(CCC(=O)NNC(=O)Cc2ccc(Cl)cc2)n1	920427574	CXLVENQAYMVLAG-UHFFFAOYSA-N	322.752	1.354	50	20	DDGD	
CC(=NNC(=O)NCC(F)(F)F)c1ccccc1C(=O)O	757460248	AKKKFZTTWGTJRV-UHFFFAOYSA-N	303.240	1.970	50	20	DDGD	
O=C(NN=C1CCCn2nccc21)c1cc(Br)c[nH]1	853284338	YUXDZZABGOUVDP-UHFFFAOYSA-N	322.166	1.902	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@H]1CCN2CCC[C@H]2C1	856839962	MQNRHHOVISYGRE-QWRGUYRKSA-N	310.789	1.383	50	20	DDGD	
CC(C)N(CC(=O)NNc1ccncn1)C(=O)OC(C)(C)C	854747494	QAZPLZJZGDQDQP-UHFFFAOYSA-N	309.370	1.565	50	20	DDGD	
CCC(F)(F)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	854218455	XHGDSLLHSZHAOW-MRVPVSSYSA-N	304.268	1.786	50	20	DDGD	
Cc1ccccc1NCCC(=O)NNC(=O)CC(F)(F)F	855002040	NBJROBRDEPOXCX-UHFFFAOYSA-N	303.284	1.897	50	20	DDGD	
CC(=O)NCc1ccc(NC(=O)NNC(=O)C2CCCC2)cc1	756552976	IVBGHIBHRALUGO-UHFFFAOYSA-N	318.377	1.666	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1[nH]c(C)nc1C)c1ccccc1	857120298	IZDNFZSBZCABIB-ZDUSSCGKSA-N	300.362	1.981	50	20	DDGD	
Cn1nc(C(=O)NNc2ccc(C(F)(F)F)nn2)cc1Cl	857476567	PJEQUPXOOODZTN-UHFFFAOYSA-N	320.662	1.639	50	20	DDGD	
C#CCN(C)CCCNC(=O)NC[C@]1(C)C[C@H]1Br	856858611	DXUGKNBIGAWVRT-YPMHNXCESA-N	316.243	1.414	50	20	DDGD	
C[C@@H]1CC2(CCNCC2)CN1S(=O)(=O)CBr	850588302	ABMNGTGQKDOCLM-SECBINFHSA-N	311.245	1.133	50	20	DDGD	
C=CCCSCCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	852392978	BWFKGJZMZKKJDL-WDEREUQCSA-N	301.412	1.051	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C2=C(C)C(C)(C)OC2=O)c1	759327410	YBUUIFLBIIGOBC-UHFFFAOYSA-N	308.309	1.929	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Nc1ccn(CC(F)F)n1	756867601	MFEXUPKYSIFFFT-UHFFFAOYSA-N	323.303	1.923	50	20	DDGD	
CCn1nccc1C=NNC(=O)CNc1ccc(OC)cc1	753693168	QHGQYELXXRQGDL-UHFFFAOYSA-N	301.350	1.474	50	20	DDGD	
Cc1ccccc1C=NNC(=O)CNC(=O)c1cccs1	750945996	VZRRFAFFMZYBRU-UHFFFAOYSA-N	301.371	1.937	50	20	DDGD	
O=C(NN=Cc1c(F)cccc1Cl)C(=O)Nc1ccccn1	758387480	MZSBSGXCEHWJBH-UHFFFAOYSA-N	320.711	1.963	50	20	DDGD	
C[C@@H]1CCN(S(=O)(=O)CC(C)(C)CCl)[C@@H](C(N)=O)C1	867133205	XUOSNJGPXMFXHK-NXEZZACHSA-N	310.847	1.167	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CCC2(O)CCC2)cc1	869136305	ULNWWIWTUIAWPP-UHFFFAOYSA-N	306.362	1.540	50	20	DDGD	
CSCc1ccccc1NC(=O)C(=O)NNC(=O)C(C)(C)C	761071988	HSAREQYJVJZGIH-UHFFFAOYSA-N	323.418	1.682	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H](C)N2CCSCC2)n1	764372853	PSTOQQRCSPZVTM-QMMMGPOBSA-N	315.830	1.319	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)C)cc[nH]1	862515543	VOSRJXDMDTVYBD-AWEZNQCLSA-N	320.437	1.832	50	20	DDGD	
Cc1nn(CC(=O)OC(C)C)c(C)c1C=NNC(=O)C1CCC1	768361682	HNLFZHQZYUIMIS-UHFFFAOYSA-N	320.393	1.702	50	20	DDGD	
C[C@H](NNC(=O)c1ccc(-c2cnn(C)c2)o1)C(F)(F)F	862320388	JHKHCJUTVNCBDV-ZETCQYMHSA-N	302.256	1.865	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@H]1CCOC2(CCCCC2)C1	769174232	SKDMFNZNGIBSAU-ZDUSSCGKSA-N	309.410	1.999	50	20	DDGD	
CC#CC(=O)NNC(=O)COc1ccccc1-c1ccccc1	763924436	VEEQWBGLWZGVRP-UHFFFAOYSA-N	308.337	1.903	50	20	DDGD	
C/C(=C/c1ccccc1Cl)C(=O)NNC(=O)[C@@H]1CCC(=O)N1	862457560	LJERTFNLOCYKOT-LAUAKBEESA-N	321.764	1.169	50	20	DDGD	
CSc1ccccc1CC(C)=NNC(=O)[C@@H]1CCC(=O)N1	863152716	DQCNZGDILIOGJI-LBPRGKRZSA-N	305.403	1.722	50	20	DDGD	
CC1(C)CC[C@H](NC(=O)NNc2ccc(-n3cccn3)nn2)C1	769014541	ZSHNZWWFZAENNB-NSHDSACASA-N	315.381	1.867	50	20	DDGD	
COC(=O)c1ccc(S(=O)(=O)NCC(Cl)Cl)s1	867471682	PKXVALTZCRQDOF-UHFFFAOYSA-N	318.203	1.617	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C(=O)NN[C@@H](C)C(F)(F)F)c1C	862304752	RXRABIAAWYNSQQ-QMMMGPOBSA-N	321.299	1.993	50	20	DDGD	
COCCC1CCN(C(=O)/C(C#N)=C\c2cnn(C)c2)CC1	862427953	JFGHYWMTVXEDBI-DHDCSXOGSA-N	302.378	1.602	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CCC(=O)c2cnn(C)c2)c1	862479619	UWOKEZBMOWBULC-UHFFFAOYSA-N	320.374	1.214	50	20	DDGD	
O=C(Cn1cc2ccccc2n1)NNCC(F)(F)C(F)(F)F	863096184	YNTQGJBEEJWKQF-UHFFFAOYSA-N	322.237	1.855	50	20	DDGD	
CN(CC(=O)N(C)NC(=O)OCc1ccccc1)C(=O)C1CC1	862287007	FQFOTUBGONABLD-UHFFFAOYSA-N	319.361	1.155	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1cnn(CCN(C)C)c1	866874980	YLRRBGHENZPQCK-UHFFFAOYSA-N	305.357	1.649	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1c[nH]c2cccc(F)c12	763358848	YCDXIUKEENBEMR-SNVBAGLBSA-N	307.325	1.809	50	20	DDGD	
Cn1ncc([N+](=O)[O-])c1C(=O)NNc1cccc2cnccc12	767094604	YKBKSSFZEZFNBD-UHFFFAOYSA-N	312.289	1.633	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H](C)c2c(F)cccc2F)nc1O	763525416	OUQRYZDUCSDEKN-ZCFIWIBFSA-N	309.276	1.411	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)c2nc3ccccc3s2)O1	874913353	CGEYBPHXSWYRSC-KBVBSXBZSA-N	319.386	1.871	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1cnn(C2CCCC2)c1	872333829	BSTWEGXDTVOFGN-UHFFFAOYSA-N	314.411	1.354	50	20	DDGD	
Cc1nn(C)cc1CC(=O)NNc1ccc(C(C)(C)C)nn1	1117750962	LGVVQKSVCPMNAC-UHFFFAOYSA-N	302.382	1.502	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@H]1C=NNC(=O)c1cnn(C)c1	872352904	LVNMFOCVABGEQY-WCQYABFASA-N	316.365	1.130	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)COCCOC)C[C@@H]1C	872401504	XSDGPMHOQPHPDY-WCQYABFASA-N	314.382	1.121	50	20	DDGD	
CCOc1nc(C(=O)NNC(=O)Cc2ccccc2F)co1	772941542	XQGAKEAFQNGBOS-UHFFFAOYSA-N	307.281	1.216	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cnc([C@@H](C)O)s1	1116803866	IVUAOQVYFGSHOU-ZCFIWIBFSA-N	311.392	1.307	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](C)C(F)(F)F)cc1O	879916606	PILOABLFCYPMPE-ZETCQYMHSA-N	305.256	1.595	50	20	DDGD	
C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NNc1ccn(C)n1	1116836768	INHNPPNGSRXJLZ-JTQLQIEISA-N	311.386	1.366	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2nccs2)cc1C	770073206	JWDNRKSMRRBZDB-UHFFFAOYSA-N	305.359	1.600	50	20	DDGD	
CC(CC1CCOCC1)=NNC(=O)CNC(=O)OC(C)(C)C	777904049	HRMRZOWZSYORAR-UHFFFAOYSA-N	313.398	1.820	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1cccc(C(F)F)c1	878540791	BHAFAAGGJOKDEQ-UHFFFAOYSA-N	317.292	1.440	50	20	DDGD	
CCSCc1cc(C(=O)NNC(=O)CC(F)(F)F)no1	770223476	SVCBJFQXZDRRCD-UHFFFAOYSA-N	311.285	1.641	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ncc(Br)s1	887148174	RKMKJMFVVLLHBE-UHFFFAOYSA-N	316.180	1.470	50	20	DDGD	
C[S@](=O)c1ccc(NC(=O)NNc2ncncc2F)cc1	1117702336	UOIKUGYPWNAWAG-NRFANRHFSA-N	309.326	1.502	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1cncnc1	772972081	RYDPNNFNAANFSS-VIFPVBQESA-N	320.736	1.359	50	20	DDGD	
CC(C)(C(=O)NNc1ccccn1)N1C(=O)c2ccccc2C1=O	771447355	COFIBHHMFILEAB-UHFFFAOYSA-N	324.340	1.600	50	20	DDGD	
O=S(=O)(CCCCl)NCc1cc(F)cnc1Cl	882227051	ZOQYQPVYBQTFLM-UHFFFAOYSA-N	301.170	1.922	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCOc1ccc(OC)cc1	887139675	YRJNCZNLTKPIDL-UHFFFAOYSA-N	304.346	1.415	50	20	DDGD	
O=C(NCCCc1ccc(O)cc1)NNC(=O)C1CCOCC1	883426956	DVYGGADVOIENQZ-UHFFFAOYSA-N	321.377	1.082	50	20	DDGD	
O=C(NNc1ccc(F)cc1Cl)[C@H]1CCS(=O)(=O)C1	885135404	CFQHZZDXBVYFOF-ZETCQYMHSA-N	306.746	1.357	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cccnn1	882057054	MFZBZMLFQPXYMF-FRRDWIJNSA-N	302.378	1.844	50	20	DDGD	
O=C1CCc2cc(C(=O)NNC(=O)c3ccccn3)ccc2N1	783315610	JWWMYJGBUTYNID-UHFFFAOYSA-N	310.313	1.041	50	20	DDGD	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NNC(=O)c1cccnn1	882057472	DVKVYLLKLMFAKY-BZPMIXESSA-N	320.393	1.612	50	20	DDGD	
Cc1nc([C@H]2CCCN(S(=O)(=O)CCCCl)C2)n[nH]1	881992716	VQELRXZEAITNEU-JTQLQIEISA-N	306.819	1.251	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(C(=O)O)cc1Cl	783832425	GPWFUTVAOGCWIM-UHFFFAOYSA-N	313.741	1.708	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCCN1CCOCC1	781066539	JBJSDSQIPDUGGR-JTQLQIEISA-N	307.232	1.244	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@]1(c2ccccc2)CCCO1	887154705	WJWVIPPMFBQINR-KRWDZBQOSA-N	300.358	1.643	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc2c(c1)CCCC2	883060511	OCGUOFAVJVSLMK-UHFFFAOYSA-N	302.374	1.753	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc(Cl)nc1N	899997235	MEPGHPYYBJUNMB-UHFFFAOYSA-N	301.803	1.225	50	20	DDGD	
CCNC(=O)CC(=O)NNc1ccccc1Br	780992097	SXWGBTDEOVFAKC-UHFFFAOYSA-N	300.156	1.418	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)Cc2c[nH]c3ccccc23)CO1	784142164	HGOGSQBKVKYCMK-ZYHUDNBSSA-N	301.346	1.283	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2cc(C)ncn2)ccc1F	783947572	FRHSWKBWSCVLST-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
COCC(=NNC(=O)Cc1nc(C)cs1)C1CCOCC1	780199210	HYFLOSMERYNHRS-UHFFFAOYSA-N	311.407	1.539	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)/C(F)=C(\C)C1CC1	899940554	QJXOVDPBEVETGU-GDNBJRDFSA-N	322.336	1.875	50	20	DDGD	
CC(C)[C@@H]1C[C@H](C(=O)NNc2ccnc(N(C)C)n2)CCO1	895275983	NBXLGXNYPNTXMF-NEPJUHHUSA-N	307.398	1.437	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@H]1CC(=O)c2ccccc21	899995793	FKQIAZOUYRPFSJ-NSHDSACASA-N	305.403	1.650	50	20	DDGD	
CC(C)[C@H]1CCCC(=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1	794499575	ZHFXZESOXRWFCB-WCQYABFASA-N	315.439	1.675	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)c1ccncc1	799430670	HDYWWJGSNKMPNH-QMTHXVAHSA-N	313.313	1.071	50	20	DDGD	
CC(=NNC(=O)c1ccc(O)c(O)c1)c1cnc(C)nc1C	794555755	IIJNTJPKKAXPLE-UHFFFAOYSA-N	300.318	1.659	50	20	DDGD	
COc1ccccc1-n1nccc1C=NNC(=O)c1cccn1C	797400534	DXHARPDNOKGFKL-UHFFFAOYSA-N	323.356	1.983	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NNC(=O)c1ccc(C)o1	798096056	ZFKOVWGCEVOCQP-AAEUAGOBSA-N	307.350	1.513	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1ccnc(O)c1	790296674	BCOVYNQFTBBBOO-UHFFFAOYSA-N	308.338	1.152	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCCN2C)c2ccccc2n1	799006417	CMUGVZHKYDVUOI-OAHLLOKOSA-N	312.373	1.398	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2cnnn2C)c(Cl)c1	799289592	DGCCYSDYJAKFBO-UHFFFAOYSA-N	308.729	1.243	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)C1(C)COC(C)(C)OC1	798310814	WJIDSGBQHNVOJW-UHFFFAOYSA-N	321.377	1.937	50	20	DDGD	
C=C[C@@H](NNC(=O)[C@H](C)Oc1cccc(Cl)c1)C(=O)OC	799980862	QJFFUKZWIPMYJR-JOYOIKCWSA-N	312.753	1.456	50	20	DDGD	
CC(C)(C(=O)NNC(=O)C1CCC(O)CC1)c1ccccc1	792155976	CQLAMBSRCIKOLS-UHFFFAOYSA-N	304.390	1.663	50	20	DDGD	
O=C(C[C@H]1CCS(=O)(=O)C1)NNc1ncccc1Cl	1318529118	ODPAEWBPFNJIJM-MRVPVSSYSA-N	303.771	1.003	50	20	DDGD	
CC(C)NC(=S)NNC(=O)Cc1csc(-c2ccoc2)n1	1319001887	MLLXSKKHFRJTTK-UHFFFAOYSA-N	324.431	1.849	50	20	DDGD	
Cc1ncc(C(=O)NNc2ccc(C(C)(C)C)nn2)c(C)n1	1319985616	QIUZHORKDKJMLT-UHFFFAOYSA-N	300.366	1.938	50	20	DDGD	
CC(=O)CCC(=O)NNC(=O)c1ccc(Br)cc1	1317708037	QLAKLDOUVPRZFZ-UHFFFAOYSA-N	313.151	1.579	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H](C)CC(=O)OC(C)(C)C	1327240418	XIIURFCKWFXFMV-JTQLQIEISA-N	301.387	1.483	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc(C3CC3)no2)cc1	1321210753	RZXNHHLFKKTUGV-UHFFFAOYSA-N	301.302	1.635	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1(Sc2ccccc2)CC1	1327150040	ITGLPRAWZWGECS-YPMHNXCESA-N	320.414	1.884	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NNC(=O)C2CCCC2)nn1	1321884754	XZQCCBKYOZEMLH-UHFFFAOYSA-N	320.397	1.622	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C2(C(C)(F)F)CC2)c1	1329461511	QGDABFBNIXANME-UHFFFAOYSA-N	312.316	1.957	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1[nH]ccc1-c1ccccc1	1329978118	RPXGXTSPNANBPL-UHFFFAOYSA-N	317.345	1.106	50	20	DDGD	
Cc1c(C#N)cccc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	1325233894	NTIIXRWCKTVBBR-UHFFFAOYSA-N	324.296	1.850	50	20	DDGD	
COC(=O)[C@H](NNC(=O)c1ccc(OC)cc1)c1cccnc1	1322762121	JORBZXZEURMFCD-CQSZACIVSA-N	315.329	1.239	50	20	DDGD	
COc1cc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])ccn1	1321004705	KDFFMEJITOCLIO-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C1CCNCC1)[C@H](C)c1ccccc1	1325311021	MFVKRTAZBYEHLU-QWHCGFSZSA-N	318.421	1.509	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CC(C)(C)CC[C@@H]2CO)cn1	1336635254	UVKBSBFBEBEKMI-CNTYAEFGSA-N	302.378	1.337	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21)c1n[nH]c2c1CCCC2	1332641530	SXGPPBNKDJSWBM-JWSAXSAHSA-N	314.389	1.342	50	20	DDGD	
COc1cccc(NNC(=O)C23CCC(OC)(CC2)CC3=O)n1	1263774454	YVSTXVAQJWYJMQ-UHFFFAOYSA-N	319.361	1.452	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccc(F)cc1)N1CCN(C)CC1	1349882173	TVNMPJDNTFKXNM-LBPRGKRZSA-N	309.389	1.088	50	20	DDGD	
CC(=NNC(=O)C[n+]1ccccc1)c1ccc(CN(C)C)cc1	1347622870	RHPZTOIAZHJSSA-UHFFFAOYSA-O	311.409	1.576	50	20	DDGD	
Cc1c(NNC(=O)NCC[C@H]2CCOC2)cccc1C(=O)O	1600053640	MGEMMNCCJLCIEQ-NSHDSACASA-N	307.350	1.746	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2cc(C(F)F)ncn2)cc1	1602129225	UYTPYXUDDDMQJR-UHFFFAOYSA-N	322.271	1.798	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)/C=C/c2cc(C(=O)O)co2)n1	1607631947	AOYTZHLQTDOQDF-ONEGZZNKSA-N	302.290	1.541	50	20	DDGD	
Cc1nc(C)c(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)o1	1606038060	WXWWNBHDORIWMG-UHFFFAOYSA-N	311.305	1.235	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)CC(=O)O)c1	1600367271	RNZVJESPNNHZEY-UHFFFAOYSA-N	308.334	1.119	50	20	DDGD	
C=C[C@@H]1OCCC[C@H]1NC(=O)NNc1ccc(C(=O)O)cc1F	1602939991	GGPSYKAQNCPBRM-OLZOCXBDSA-N	323.324	1.884	50	20	DDGD	
O=C1CCCCC[C@H](C(=O)NNc2ccc(C(=O)O)cn2)C1	1602643500	LRBBPPNVSSLFBQ-JTQLQIEISA-N	305.334	1.762	50	20	DDGD	
Cn1ncc2c1C[C@H](C(=O)NNc1cccc(C(=O)O)c1)CC2	1601031169	QWKHKZOCSHMBKA-SNVBAGLBSA-N	314.345	1.367	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=Cc1cc(C(=O)O)no1	1604431394	PHDWDCSHOVPWSF-QMMMGPOBSA-N	321.264	1.430	50	20	DDGD	
O=C(O)/C=C/c1ccc(C(=O)NNc2ncc(Cl)cn2)o1	1601876657	INMIYFZFDOTBMB-DUXPYHPUSA-N	308.681	1.578	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)ccc1F	1604375975	HVCAHXOGHDNWPS-DTWKUNHWSA-N	324.308	1.556	50	20	DDGD	
Cc1ccc(NC(=O)NNc2ncncc2F)cc1C(=O)O	1600455700	WNBUJHNRKHXMMK-UHFFFAOYSA-N	305.269	1.771	50	20	DDGD	
CC(C)(C)NCCC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1603350670	DQHGTLNJHSGFMI-UHFFFAOYSA-N	310.306	1.977	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Nc1cc(C(=O)O)ccn1	1607872159	RVNPYHDEIZEJOV-UHFFFAOYSA-N	314.301	1.555	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1cccnc1-n1cccn1	1606528360	BQFQVDQQFZKJLX-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cccn1[C@H](C)C(=O)O	1610000369	WHIIOKQHKJIBSS-GFCCVEGCSA-N	308.382	1.316	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1ccccc1C(=O)O	1611344593	XLKNTWVSALGXRH-LLVKDONJSA-N	307.306	1.107	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@H]1C(=O)NN=C1COC(C)(C)C1	1549314395	IJWQAZODPHSELX-OCCSQVGLSA-N	320.393	1.559	50	20	DDGD	
O=C(O)CSCCC(=O)NNc1ccc(F)c(F)c1F	1610790017	VEHOQUZRHLCHGJ-UHFFFAOYSA-N	308.281	1.755	50	20	DDGD	
C[C@H](C=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1ccccc1	1549312124	APGKPATUAPKCJR-FVQBIDKESA-N	301.390	1.755	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@@H]2C[C@]23CCNC3)c1	1578420334	HFURCPNNTUBARE-BBRMVZONSA-N	317.393	1.223	50	20	DDGD	
COc1ccc(NNC(=O)C[C@H](N)CC(C)C)c([N+](=O)[O-])c1	1579230376	JJBDOIMXXRYADQ-SNVBAGLBSA-N	310.354	1.810	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2NC[C@@H]3C[C@@H]32)ccc1Br	1579637780	BUXCLQDQPVVKON-PTOFAABTSA-N	310.195	1.809	50	20	DDGD	
O=C(C[C@@]12CCCC[C@@H]1C2(F)F)NNC(=O)C1CCNCC1	1580515406	NWAFIVZTMRCALR-FZMZJTMJSA-N	315.364	1.349	50	20	DDGD	
CC(C)(CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cn[nH]c1	1847438276	UBXITZHLLCDYLF-RYUDHWBXSA-N	324.812	1.490	50	20	DDGD	
COCCCOCC(=O)NNc1cccc(C(=O)O)c1F	1599226408	UPHLBTPQEWLYGU-UHFFFAOYSA-N	300.286	1.020	50	20	DDGD	
CCCN1CC[C@@H](NC(=O)NNc2ccc(C(=O)O)c(F)c2)C1	1595906959	NTXFHTWGEDIFDJ-LLVKDONJSA-N	324.356	1.634	50	20	DDGD	
Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](F)Cl)o1	1847902128	QYIUUQMGOPUASR-JBLDHEPKSA-N	314.744	1.938	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NNC(=O)Nc2ccccc2CC(=O)O)O1	1594216288	QKBJMUSGDXVHLL-BXKDBHETSA-N	321.333	1.034	50	20	DDGD	
COc1cc(NNC(=O)NC[C@H](F)C(=O)O)ccc1Cl	1599445061	XXDXARMUQIHQRG-QMMMGPOBSA-N	305.693	1.397	50	20	DDGD	
COc1cc(C(=O)NNc2ccc(C(=O)O)c(Cl)c2)nn1C	1599355525	ZBVJBRQQSHJRKI-UHFFFAOYSA-N	324.724	1.537	50	20	DDGD	
N#Cc1cccc(C=NNC(=O)c2ccc(C(=O)O)cc2)c1O	1776101360	DIXWQWZUQWNIHN-UHFFFAOYSA-N	309.281	1.726	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC(CC(=O)O)CC1	1776293920	SAKAWXSIZIQLSO-UHFFFAOYSA-N	311.831	1.768	50	20	DDGD	
CCc1cc(C(=O)O)c(C=NNC(=O)CN2CCCC2=O)s1	1776025030	WIEDRYQEYRWKTJ-UHFFFAOYSA-N	323.374	1.081	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)cc1)NNC(=O)c1ccccc1	15435440	IGZOMJVHGCRTTG-UHFFFAOYSA-N	315.304	1.017	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1c(F)cc(F)cc1F	161818098	LQUGBBYKYREFBV-UHFFFAOYSA-N	313.235	1.841	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1ccncc1Cl	154874732	XIEJMYDTVBOGPS-UHFFFAOYSA-N	300.746	1.657	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21	912834957	ACITZBLONZKRCI-IACUBPJLSA-N	302.330	1.511	50	20	DDGD	
CN(CCOC[C@@H]1CCCO1)NC(=O)OCc1ccccc1	859387880	JHYISIIKQJSLTM-HNNXBMFYSA-N	308.378	1.955	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCO[C@@H]2COCC[C@@H]21	907740883	HKRPYUFRAKYVMU-WDEREUQCSA-N	311.831	1.071	50	20	DDGD	
CC[C@@H](C)CN(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	111254066	BAPKHVAGHPIDOD-LLVKDONJSA-N	322.365	1.334	50	20	DDGD	
Cc1ccc(NNC(=O)NCCc2cn3c(n2)CCCC3)nn1	106258849	BTWBHQWJPXFPGB-UHFFFAOYSA-N	315.381	1.187	50	20	DDGD	
C[C@@H]1CCCC[C@H]1OCC(=O)NNC(=O)CNc1ccccc1	113414401	QMFYYHLVMHITTG-UKRRQHHQSA-N	319.405	1.841	50	20	DDGD	
CC(C)c1csc(/C(C#N)=C/c2cn(C)c(=O)n(C)c2=O)n1	176939955	ZHNZTVYDSFVYKV-BJMVGYQFSA-N	316.386	1.728	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C2=CCCCC2)nc1C	119128410	JJKDGCIBFWCKDH-UHFFFAOYSA-N	304.350	1.905	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2cccs2)on1)c1cccnc1	24448590	FUPISWQUJFSGOA-UHFFFAOYSA-N	314.326	1.873	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccc2[nH]nnc2c1)c1ccccc1	110964525	XLDIWMPJCDIPLO-ZDUSSCGKSA-N	323.356	1.913	50	20	DDGD	
CCN1CCCC[C@@H]1CNC(=O)NNc1nc(C)cc(C)n1	111510933	RGIQQUAVCRXIRP-CYBMUJFWSA-N	306.414	1.594	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cnn(C)c2)c2ccccc12	117681978	DTPYDGHQAMFZGA-UHFFFAOYSA-N	324.340	1.657	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc3ccccc3c2O)cn1	117680721	HYNGKHQHZUNMST-UHFFFAOYSA-N	310.313	1.354	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(COc2ccc(F)cc2)o1	65190235	XZXSEGLRIMRGDO-UHFFFAOYSA-N	321.308	1.962	50	20	DDGD	
C[C@@H](Cc1ccccc1F)C(=O)NNc1ncnc2nc[nH]c12	173946321	JVKQVUNOYPLMFP-VIFPVBQESA-N	314.324	1.814	50	20	DDGD	
O=C(NCc1nc(C2CC2)cs1)NNC(=O)c1ccc[nH]1	123380574	QGWAETQIYZYZMI-UHFFFAOYSA-N	305.363	1.493	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccnn2C(C)C)c(O)c1	65816186	RLGUZYVRXFCPQW-UHFFFAOYSA-N	317.349	1.945	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N(C)C)nn1-c1ccc(F)cc1	180186854	UWLMSHAKFMPZHL-UHFFFAOYSA-N	305.313	1.236	50	20	DDGD	
O=C(NNC(=O)c1ccnc(OCC(F)F)c1)c1cccnc1	121850874	VZQLVSRIVCFKQY-UHFFFAOYSA-N	322.271	1.195	50	20	DDGD	
Cc1ccc(C[C@H](C)C(=O)NNC(=O)N2CCOCC2)cc1	181136451	OYVHKJCIHMOCPX-ZDUSSCGKSA-N	305.378	1.247	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1ccc(F)c2ncccc12	32586177	OWVZRJIDUWVMTO-UHFFFAOYSA-N	313.310	1.313	50	20	DDGD	
CC(C)OCCC(=O)NNC(=O)c1cc(-c2ccccc2)on1	73543287	KGUYJNFWWAAPMM-UHFFFAOYSA-N	317.345	1.918	50	20	DDGD	
CC(=O)Nc1cccc([C@H](C)NC(=O)NNc2cccnn2)c1	77342545	FKZBKMWBKFYJAL-JTQLQIEISA-N	314.349	1.822	50	20	DDGD	
CCC(CC)CC(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1	128850850	NFAOPMHNRWRXIY-STQMWFEESA-N	313.442	1.459	50	20	DDGD	
CCCc1ccc(NC(=O)NNC(=O)Cc2cc[nH]n2)cc1	183057411	AWVZVFXYTBOPEK-UHFFFAOYSA-N	301.350	1.758	50	20	DDGD	
CC(C)NC(=O)NNC(=O)C[C@@H](C)C(=O)c1cccc(F)c1	73120351	OTFHDOWHXGHNAU-SNVBAGLBSA-N	309.341	1.773	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2c[nH]c3ccccc23)cc1O	188225222	BYSAXESCZYGUCE-UHFFFAOYSA-N	320.308	1.820	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cccc(Cl)c1F	48654619	NHOFWLQQFUTADY-SSDOTTSWSA-N	308.762	1.835	50	20	DDGD	
C#CCCCC(=O)N/N=c1\nc(-c2ccccn2)[nH]c(C)c1C	192351797	FRVVEKTUVDHBFQ-UHFFFAOYSA-N	309.373	1.824	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N(C)C)c2cnn(C(C)C)c2n1	194925594	JSRPRAGGARFWEL-UHFFFAOYSA-N	304.354	1.237	50	20	DDGD	
Cc1nc(C(=O)NNC(=S)N[C@@H](C)C2CC2)ccc1C#N	83678976	VCOFIHVQAGZUNW-QMMMGPOBSA-N	303.391	1.169	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(Cl)nc(N)n1)N1[C@H](C)CC[C@H]1C	134103782	CKFMHOCNECKFJG-HLTSFMKQSA-N	312.805	1.417	50	20	DDGD	
C[C@](O)(CNS(=O)(=O)c1ccc(CCl)cc1)C1CC1	381889262	PURZFUIEIFSSDT-ZDUSSCGKSA-N	303.811	1.865	50	20	DDGD	
CC[C@@H]1CN(C(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)CCO1	255887690	ZQZKWPPTDNGAHE-SNQWNFELSA-N	312.373	1.750	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H](C)c1cccc(Cl)c1	266042718	HBGQNGYMSYWMTA-SNVBAGLBSA-N	313.785	1.810	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CC[C@H]2CC[C@H](C)O2)c1O	266635436	XNBYLKBJJCOMCM-WDEREUQCSA-N	322.361	1.510	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N[C@H]1C[C@@H]1Cc1ccccc1	266783181	RPJPFRNUAZQORL-HOTGVXAUSA-N	324.384	1.586	50	20	DDGD	
N#C/C(=C\c1cc(O)ccc1[N+](=O)[O-])C(=O)NC[C@H]1CCCO1	269408872	FOVDZWMAURFKCL-ASJRZHAZSA-N	317.301	1.503	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)c1)N[C@@H]1CCO[C@H]1C1CC1	363163620	ZUXFEFREJGFGSO-OLZOCXBDSA-N	323.780	1.852	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)C1(C#N)CCC1	270681827	UYKPYXUJYXPZPR-UHFFFAOYSA-N	319.386	1.629	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Cc1ccccc1F	276490327	AOLRMZQMJDTPPJ-UHFFFAOYSA-N	312.341	1.305	50	20	DDGD	
Cc1cccc(-c2nc(C(=O)NNC(=O)C(C)(C)O)c(C)[nH]2)c1	277908324	HOSKRVFSTIUBDY-UHFFFAOYSA-N	316.361	1.225	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)N(C)C(=O)CO2	273542156	YOMQPOGUNBKFEF-VIFPVBQESA-N	320.349	1.241	50	20	DDGD	
COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NNC(=O)C2CCC2)c1	276564624	UDVUMTPVMQAODD-GXTWGEPZSA-N	318.373	1.755	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ncccc1C(F)(F)F	271263975	LQWRHSQXYMMOOO-UHFFFAOYSA-N	320.271	1.081	50	20	DDGD	
O=C(NNC(=O)C1SCCS1)Nc1cc(F)cc(F)c1	283757774	MFHQGBLCLXWUDW-UHFFFAOYSA-N	319.358	1.924	50	20	DDGD	
O=C(NNc1ncccc1F)C1CCN(CC(F)(F)F)CC1	286087706	UODHEQPSRPYCQS-UHFFFAOYSA-N	320.290	1.938	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1CC[C@H]1C(=O)OC)c1ccccc1	286203085	YAHXHIDDNXNKPY-BFHYXJOUSA-N	318.373	1.527	50	20	DDGD	
Cn1nncc1CNC(=O)NNc1ccccc1C(F)(F)F	288819608	KVLUXHCGGSFSGY-UHFFFAOYSA-N	314.271	1.660	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C2C[C@@H]3CCC[C@H](C2)C3N)n1	285643780	LBFXQFVBRYLPMV-KCXRBIIJSA-N	319.409	1.390	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc(O[C@H](C)C(=O)O)cc1	285222300	FNWGLPQIFULDCI-NASPGAHYSA-N	318.329	1.208	50	20	DDGD	
C[C@@H]1CC=CC[C@H]1C(=O)NNC(=O)COc1ccc(F)cc1	284854682	JNNSJGBVLDJXKZ-BXUZGUMPSA-N	306.337	1.954	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc2nnc(C(C)(C)C)n2c1	286227086	FXIKYRQHJKSYCG-UHFFFAOYSA-N	305.338	1.370	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)c3cncn3C)cc2C1	289428616	VIXNVCVTGAUMON-SECBINFHSA-N	318.402	1.681	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(F)c(F)cc1Cl	281706089	FRAQSTVMZMDAGY-LLVKDONJSA-N	318.707	1.948	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1ccc2c(c1)OCO2	283693627	PNDHVKLLJQSHLO-NSHDSACASA-N	307.306	1.137	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)[C@H]1CCc2nnn(C)c2C1	290604174	AYKYQEXRBRBTIH-JTQLQIEISA-N	303.341	1.511	50	20	DDGD	
CCc1nocc1CN(C)C(=O)NNC(=O)c1ccccc1	297609762	ZZXFAUOHIQADSC-UHFFFAOYSA-N	302.334	1.723	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)C(=O)c1cccn1C	807194488	CNIDOLRNNDKOLL-UHFFFAOYSA-N	301.302	1.138	50	20	DDGD	
C[S@@](=O)Cc1cccc(C(=O)NNc2cccc(F)n2)c1	804772163	CWCZNUNPSDIQKV-OAQYLSRUSA-N	307.350	1.856	50	20	DDGD	
COCc1cc(Cl)cc(S(=O)(=O)NN(C)C(=O)OC)c1	295852454	DQQLGCRFXUNKGP-UHFFFAOYSA-N	322.770	1.378	50	20	DDGD	
O=S(=O)(CCCCCl)NC[C@@H](O)Cc1cccc(F)c1	296339518	VIBUBOWFMZZKJZ-ZDUSSCGKSA-N	323.817	1.668	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1nccn2ccnc12	803435640	HVAFTHHVRABGJP-UHFFFAOYSA-N	320.312	1.328	50	20	DDGD	
Cc1ccccc1OCCCC(=O)NNC(=O)c1cccn1C	298143158	OFRHAZLURQEYIO-UHFFFAOYSA-N	315.373	1.954	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccccc1Oc1ccncc1	801614810	SAFJRLPBZOQWAT-UHFFFAOYSA-N	314.345	1.197	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)O1	800332629	ADALCRRHTSCWNF-GYSYKLTISA-N	320.393	1.719	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ccc2oc(O)nc2c1	807060982	JZMJTOHZMSUREY-UHFFFAOYSA-N	315.245	1.594	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)Cc2cc[nH]n2)[C@@H](n2cncn2)C1	814953677	LVSDUWBRZHZEAO-MFKMUULPSA-N	301.354	1.077	50	20	DDGD	
CCC1(CC)C(=O)NCCC1=NNC(=O)c1ccccc1O	819801278	GTPIFILNMFKKIM-UHFFFAOYSA-N	303.362	1.804	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)COc1cccc(C)c1	812445699	XCBJZFSQZYUCRR-CHWSQXEVSA-N	308.378	1.440	50	20	DDGD	
O=C(NNc1ncncc1F)Nc1ccc(-n2cccn2)cc1	814539282	AOKSHQXPAUEFGF-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
Cc1cc(C#N)cnc1C(=O)NNC(=O)c1ccc2c(c1)OCO2	814715063	HJWRDYHVSBIQSI-UHFFFAOYSA-N	324.296	1.065	50	20	DDGD	
Cc1sc2ncn(CCC(=O)NN(C)C3CC3)c(=O)c2c1C	819643870	RTOLYUQAALVDCM-UHFFFAOYSA-N	320.418	1.590	50	20	DDGD	
CC(C)(C)OC(=O)N1[C@H](C(=O)NNC(=O)C2CCC2)C[C@H]2C[C@H]21	815553188	UGIGREALSHDRFS-UTUOFQBUSA-N	323.393	1.332	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)[C@@H](O)C(C)C)n[nH]2)cc1	813412380	UJWOMKNGZSBPPH-AWEZNQCLSA-N	316.361	1.163	50	20	DDGD	
CCn1ccnc1C(=O)NNC(=O)c1cc(C)nc2ccccc12	813556606	JWEAKFIIEIUJOE-UHFFFAOYSA-N	323.356	1.834	50	20	DDGD	
O=C(NNc1cccc(Br)c1)c1cc2n(n1)CCO2	810041774	BYONHYWVVGDIGJ-UHFFFAOYSA-N	323.150	1.795	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=C2CC[C@@H]2C2CC2)c1	814801256	DANFJAWCOFNZFG-CYBMUJFWSA-N	306.387	1.996	50	20	DDGD	
Cn1nncc1NNC(=O)c1cccc(OC[C@H]2CCCO2)c1	816771562	RJRQSQMZTNMBGS-CYBMUJFWSA-N	317.349	1.130	50	20	DDGD	
CCOc1ccc(NNC(=O)CNC(=O)c2ccoc2C)cc1	817889816	MPCVRQWFSUIUNE-UHFFFAOYSA-N	317.345	1.860	50	20	DDGD	
O=C(NNc1cccc(Cl)c1)[C@H]1CCCS(=O)(=O)C1	816844775	OLWDFJGFLXJBHZ-VIFPVBQESA-N	302.783	1.608	50	20	DDGD	
COc1cccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)n1	826214465	MPQKHPNCHVYHMP-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
O=C(/C=C\[C@H]1CCOC1)NNC(=O)c1cc2ccccc2o1	493129014	UYBZHGRPYQOICN-GZTOBOFZSA-N	300.314	1.787	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccccc1	827165210	CNPPWPZETDMVJH-IACUBPJLSA-N	305.378	1.893	50	20	DDGD	
CCCn1nccc1C(=O)NNC(=O)CCc1ccccc1	825089382	BMHYWLQRWQWGPP-UHFFFAOYSA-N	300.362	1.687	50	20	DDGD	
CN(NS(=O)(=O)c1cnc(Cl)n1C)C(=O)OC(C)(C)C	496278425	VLYQNRUIMDVPPI-UHFFFAOYSA-N	324.790	1.134	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc2[nH]c3c(c2c1)CN(C)CC3	821218330	YQNUWTDUIPBPQN-NSHDSACASA-N	316.405	1.113	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CC(O)(CC#N)C2)cc1	490664946	WJQCFQYNWOOUGN-ZROIWOOFSA-N	311.341	1.479	50	20	DDGD	
Cc1nc(C2CC2)ccc1C(=O)NNC(=O)CC(F)(F)F	825505394	HODPCSBOJHLDIZ-UHFFFAOYSA-N	301.268	1.981	50	20	DDGD	
Cc1ccc2c(c1)O[C@H](C)CN2CC(=O)NNC(=O)C(C)C	827979053	HPVIPGRSCRQHJV-GFCCVEGCSA-N	305.378	1.386	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cc(-n2ccnn2)ccc1F	821750817	RHKYBPABXHCANA-UHFFFAOYSA-N	317.324	1.358	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1	823922976	NWILGCLHMPTCOZ-NWDGAFQWSA-N	311.813	1.510	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H](C)CNC(=O)OC(C)(C)C	495418260	JMGGIMDXABDGDF-SNVBAGLBSA-N	316.402	1.276	50	20	DDGD	
C[C@@H](CC(=O)O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	827304614	YNCVMGLFOHFNIS-HMHCLHNZSA-N	308.378	1.461	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC[C@@H]1c1cccnc1	827298927	KOTPIJOCFOVCAT-FPMFFAJLSA-N	318.377	1.384	50	20	DDGD	
O=C1CC[C@@H]2[C@H]1[C@@H]2C(=O)NNc1nnc(-c2ccccn2)s1	907664441	CBBOCXHZXKANGS-AVPPRXQKSA-N	315.358	1.268	50	20	DDGD	
COC[C@H](Cc1ccccc1)NC(=O)NNC(=O)OC(C)(C)C	492847386	YMJXRZPPKPTUJB-ZDUSSCGKSA-N	323.393	1.983	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1cccc(OCCC(=O)O)c1	735410663	QPBZKDRKJMPXID-UHFFFAOYSA-N	316.317	1.336	50	20	DDGD	
OB(O)c1ccccc1CN[C@H](CN1CCCC1)c1ccccc1	585016500	OGHRNOCLBNUHPC-LJQANCHMSA-N	324.233	1.293	50	20	DDGD	
COC(=O)Nc1ccccc1C(=O)NNC(=O)NCC1CC1	733140123	UBNJULSEVPEELW-UHFFFAOYSA-N	306.322	1.219	50	20	DDGD	
C[C@@H]1C[C@@H]1c1ccc(CNC(=O)NNC(=O)c2cnn(C)c2)o1	735510544	NHWXGJUUMNZIAP-SKDRFNHKSA-N	317.349	1.281	50	20	DDGD	
COCCOc1ccc(C(=O)NNC(=O)c2ccncc2)cc1	732049066	NLAOYXZYDWQDDO-UHFFFAOYSA-N	315.329	1.182	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2C[C@@H]3c4ccccc4CC[C@H]32)cc1	585049838	LFHZFRJRQROVMW-GUDVDZBRSA-N	307.202	1.575	50	20	DDGD	
CCO/C=C/C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	492836392	JSQKALMJOCXCRM-LXKVQUBZSA-N	306.362	1.768	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(COc2ccccc2C#N)o1	495408066	PGBDPLQVZDSGRM-UHFFFAOYSA-N	315.285	1.731	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@H]1CCCN1CC(F)(F)F	830956029	UHDOCXXHNMVLRZ-RJCSOLBVSA-N	305.300	1.573	50	20	DDGD	
C[C@@H](NCc1ccc(B(O)O)o1)c1ccc(OC(F)F)cc1	585015083	OCIZSBBYTZHWAH-SECBINFHSA-N	311.093	1.412	50	20	DDGD	
CCC[C@@H](NC(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccn1	836278073	DJXDGCNKPNEAFP-KGLIPLIRSA-N	320.393	1.822	50	20	DDGD	
O=C(CN1CSCCSC1)NNc1cccc(Cl)n1	908355905	TXVRTCWOSZYNID-UHFFFAOYSA-N	318.855	1.875	50	20	DDGD	
O=C1CCCN1C[C@@H](NS(=O)(=O)CCl)c1ccccc1	830018108	FBTVAOJAFMHZNZ-GFCCVEGCSA-N	316.810	1.466	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@]2(C)CC(C)=NO2)c1	901319829	FXIKUIGZWLPWPT-OAHLLOKOSA-N	321.333	1.020	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1ccc(C(=O)O)c(F)c1	833148180	CGZORRFZROLMSW-UHFFFAOYSA-N	310.672	1.724	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)C1CCOCC1)c1ccccc1	905566873	BPIUUHMKRHNWGC-NSHDSACASA-N	307.419	1.670	50	20	DDGD	
COc1cccc(CCNC(=O)[C@@]2(C)C[C@@H]2Br)n1	906942961	WPIHVLSKLZWOIA-GWCFXTLKSA-N	313.195	1.922	50	20	DDGD	
CC(C)c1ccc(NNC(=O)CN2C(=O)CN(C)C2=O)cc1	837058454	PFGGYZVCBXURIE-UHFFFAOYSA-N	304.350	1.147	50	20	DDGD	
CC(C)(C)c1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)s1	585057826	LLTGWMFZZHGSQM-VIFPVBQESA-N	317.241	1.283	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NCC(=O)NNC(=O)c1cccc(Cl)c1	831679459	XRLLCTZYNLWPGT-OLZOCXBDSA-N	323.780	1.034	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNc1oc(C(C)C)nc1C#N	839604267	LYDDJPBPYBCPRI-SECBINFHSA-N	307.354	1.260	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2cncc(O)c2)c1	732257572	TVNOAUBVHIIUPH-UHFFFAOYSA-N	315.329	1.244	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21)c1ccc(Cl)cc1F	906888151	AKTAJCSBFDEIGU-GGZOMVNGSA-N	310.712	1.465	50	20	DDGD	
COc1cc(C(C)C)c(S(=O)(=O)NNC(C)=O)cc1C	901822705	VHZGUMORUGDRIV-UHFFFAOYSA-N	300.380	1.456	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)[C@@H](C)CS(C)(=O)=O	836933641	MKJFPLYGBONJLI-VIFPVBQESA-N	304.799	1.772	50	20	DDGD	
CC1(C)C[C@@H]1CNC(=O)NNC(=O)COc1ccccc1F	732820171	IIQABUWSMDUSJM-SNVBAGLBSA-N	309.341	1.581	50	20	DDGD	
COCc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	831733942	FPXDRWPYNQQMSG-ZWNOBZJWSA-N	307.350	1.411	50	20	DDGD	
CN(C)C(=O)NN=C1CCN(c2ccc([N+](=O)[O-])cc2)CC1	730145826	RJYPQLZAPZWCPJ-UHFFFAOYSA-N	305.338	1.822	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)c3ncccn3)cc2C1	735840042	BPXQMXXEHYDTNT-SECBINFHSA-N	316.386	1.738	50	20	DDGD	
CC1(C)Cc2ccsc2CN1C(=O)c1ccc(B(O)O)cc1	584997308	AMELPDVBHZRTNC-UHFFFAOYSA-N	315.203	1.405	50	20	DDGD	
CS[C@H]1CCCC(=NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1	901164578	RTIYLOBRMMXKEO-KOLCDFICSA-N	304.437	1.199	50	20	DDGD	
Cc1nc(C)c([C@@H](C)NC(=O)c2cc(B(O)O)ccc2F)s1	584934423	UAGSLKDEDVRHOJ-MRVPVSSYSA-N	322.170	1.070	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@@H](C)CCCc1cccnc1	839145808	TWVWWUQVDPUNAV-QWHCGFSZSA-N	306.410	1.328	50	20	DDGD	
CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)NNc1ccncn1	836310952	WFRNIPLBABSEHN-DGCLKSJQSA-N	307.398	1.944	50	20	DDGD	
COc1cc(CCNCc2cccc(B(O)O)c2)ccc1Cl	585042312	ABCVUJBSJFWVHE-UHFFFAOYSA-N	319.597	1.361	50	20	DDGD	
CCCc1csc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n1	831616773	OTBMRNWTHZLLCO-SCZZXKLOSA-N	312.395	1.673	50	20	DDGD	
CN(CCNC(=O)NNc1ccc(F)cc1)CC(F)(F)F	732703189	AVVGMELIDCMFAY-UHFFFAOYSA-N	308.279	1.946	50	20	DDGD	
CCN(CCO)NC(=O)[C@H](O)c1ccccc1C(F)(F)F	911439998	QCCIHWFISSDOQD-LLVKDONJSA-N	306.284	1.084	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cccc(N2CCCC2)c1	831351817	QRHSYDKSCHWSFM-UHFFFAOYSA-N	301.325	1.973	50	20	DDGD	
CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)NNc2ccccc2)C1	734279270	YPQHBALOKMYQSE-TZMCWYRMSA-N	304.394	1.960	50	20	DDGD	
CC(C)[C@@H](C)N(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	839460576	OMGQIUBWYMSCKS-LLVKDONJSA-N	322.365	1.332	50	20	DDGD	
CC/C(C)=C\C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	838037978	OUKIVUTZRGYANE-LUAWRHEFSA-N	304.346	1.656	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cnc2cc[nH]c2c1)C1CC1	912161690	SSAOCHPZNYIHCK-MRVPVSSYSA-N	303.391	1.470	50	20	DDGD	
CCOC(=O)[C@@H](CC(C)C)OC(=O)/C(C#N)=C/c1cnn(C)c1	837970648	FNMVSMKZQKNFTI-WTWVRAIASA-N	319.361	1.848	50	20	DDGD	
Cc1ncc(CNC(=O)NNC(=O)CCCc2ccccc2)o1	838756814	BSYGOXOQQVFPMI-UHFFFAOYSA-N	316.361	1.836	50	20	DDGD	
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NN)cc2)c1	917371649	MYKWAVFGVNWGLU-UHFFFAOYSA-N	319.386	1.708	50	20	DDGD	
O=C(Cc1cccc2cccnc12)NNC(=O)CC(F)(F)F	918704166	VCYHKSBHWPKVNF-UHFFFAOYSA-N	311.263	1.877	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)c1cn(C(C)(C)C)nn1	846641947	WNPQQRYTCKCOHW-UHFFFAOYSA-N	307.329	1.938	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O	843755413	GKSQVIRHKDADSG-UHFFFAOYSA-N	301.686	1.371	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccccc1NCc1ccco1	847857000	ZDVICGXNHKBQIR-UHFFFAOYSA-N	317.345	1.424	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1nc2ccccc2s1	843972300	AJYCEAQYVNPTOF-IUCAKERBSA-N	305.359	1.482	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CC2CCOCC2)cc1	846374072	IRMYPHWLSUMGMM-UHFFFAOYSA-N	306.362	1.662	50	20	DDGD	
O=C(NNC(=O)c1c[nH]cc1-c1ccc(F)cc1)NC1CC1	742053067	AGFLSWYHHRCLDV-UHFFFAOYSA-N	302.309	1.927	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1ccc(S(C)(=O)=O)cc1	842555812	LGNNPFAVZOPRHE-RISCZKNCSA-N	324.402	1.355	50	20	DDGD	
C=C[C@@H](C)ONC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	845638081	CFJLXWLYBASZPW-NXEZZACHSA-N	311.313	1.430	50	20	DDGD	
C[C@@]1(c2ccccc2)C[C@H]1NC(=O)NNC(=O)CC(F)(F)F	745858748	SUBGRJLSIFOGJF-MFKMUULPSA-N	315.295	1.999	50	20	DDGD	
Cc1c(C(=O)O)oc2c1C(=NNC(=O)c1ncccn1)CCC2	841663664	XMGAYHCVTJMLPT-UHFFFAOYSA-N	314.301	1.547	50	20	DDGD	
CO[C@](C)(C1CC1)[C@@H](C)NC(=O)NNC(=O)Cc1cccnc1	840419626	XPWRZFRMBPQSAM-BZNIZROVSA-N	320.393	1.158	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)C1(N(C)C(=O)OC(C)(C)C)CCC1	910148018	QCSMTDWHOQXDOJ-NSHDSACASA-N	315.414	1.120	50	20	DDGD	
O=C(NNC(=O)C1CCN(CC(F)(F)F)CC1)C1CCCC1	917105562	BXXCQQGYTKDZQE-UHFFFAOYSA-N	321.343	1.598	50	20	DDGD	
Cc1ccc(/C=C(/C#N)C(=O)OCC(=O)N2CCCC2=O)cc1	916596119	AFLPQNNGSJQMJD-ZROIWOOFSA-N	312.325	1.594	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1cc(C(=O)O)ccc1C	842562936	ZXJAAYNGNWFFFV-WCQYABFASA-N	304.346	1.958	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@]1(C)C[C@@H]1Br)C1CC1	912160026	KFLGVWXLTNBPII-GEOGLEFRSA-N	320.256	1.454	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2cccc(OC(F)F)c2)c2ncnn21	841624831	XTZUZSCGKRRRCO-MRVPVSSYSA-N	321.287	1.978	50	20	DDGD	
O=C(NNc1cccc(F)c1F)N[C@@H]1CC[C@@H]2CNC[C@H]2C1	842015273	LMYXTSMBOLLIDO-GMTAPVOTSA-N	310.348	1.979	50	20	DDGD	
Cc1c(NNC(=O)N[C@H]2CCCN(C)C2=O)cccc1[N+](=O)[O-]	748663539	BDAHBFGZKABUMG-NSHDSACASA-N	321.337	1.150	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCCC(C)(C)O)cc1	845126738	GAQHYAZRANEEGG-UHFFFAOYSA-N	309.366	1.189	50	20	DDGD	
CCO[C@]1(C(=O)NN=C2CCCN3CCCC[C@H]23)CCOC1	848412822	CXOSMOMMISHAHP-GDBMZVCRSA-N	309.410	1.303	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1sccc1Cl	842590651	QIXLKMFGVAWJRO-RQJHMYQMSA-N	324.811	1.136	50	20	DDGD	
CSSCCNC(=O)NCc1nc(-c2ccncc2)n[nH]1	840368891	SSFXTWDIHXBSSK-UHFFFAOYSA-N	324.435	1.677	50	20	DDGD	
COCCN1[C@H]2CC[C@H]1CC(=NNC(=O)[C@H]1CCO[C@@H]1C)C2	842548590	ACUQCSIWEFXDFS-UNQGMJICSA-N	309.410	1.157	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C[C@@H](OC)[C@@H]1CCOC1	841602667	HTFUGILKNJOAGL-IUODEOHRSA-N	321.377	1.261	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)CC(C)(C)O2	843661190	YNSWSGABCMIWBY-MFKMUULPSA-N	318.373	1.586	50	20	DDGD	
C[C@H](Cc1ccc(F)cc1)C(=O)NNC(=O)NCC(F)(F)F	921092399	YHEJEORVANJKFA-MRVPVSSYSA-N	321.274	1.897	50	20	DDGD	
CCO[C@H]1COCC[C@H]1NC(=O)NNc1cc(Cl)ccn1	759305668	HNHBSLQRRIAGEV-MNOVXSKESA-N	314.773	1.555	50	20	DDGD	
N#CSCCCNC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F	854361573	ZTLQNYNACDJKKX-QMMMGPOBSA-N	309.313	1.260	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)NC[C@@H](C)S(C)(=O)=O	921632413	CGKJZSNSPBQOMI-SECBINFHSA-N	319.814	1.708	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@@]3(CCOC3)C2)C[C@H]1Br	856900083	TVBVOHDHFLDEGZ-RAIGVLPGSA-N	317.227	1.982	50	20	DDGD	
CC(C)COC[C@H](NCC(=O)NNC(=O)C1CC1)c1ccco1	754305579	URKZKXJNNJQUOB-ZDUSSCGKSA-N	323.393	1.140	50	20	DDGD	
CC(C)(C)c1cnc(CCC(=O)NNC(=O)c2cc[nH]n2)o1	855356709	QSFHQTNMAIPSRY-UHFFFAOYSA-N	305.338	1.089	50	20	DDGD	
COc1ccc(N(C)CC(=O)NNC(=O)C(C)(C)C)c(OC)c1	752123628	UEKGPQKLLNMFBB-UHFFFAOYSA-N	323.393	1.334	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NC[C@]2(C)C[C@H]2Br)C1	857092996	PAOHATKJMWIXII-BREBYQMCSA-N	317.227	1.535	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)c1cccs1)[C@@H]1CCCO1	754518158	WBVYRJICKKBFLI-QWRGUYRKSA-N	311.407	1.056	50	20	DDGD	
CC(C)(C)n1nnc(C=NNC(=O)c2ccc(Cl)nc2)n1	853291929	RBXMQVKAPANTBZ-UHFFFAOYSA-N	307.745	1.240	50	20	DDGD	
Cn1ncc(C2CC2)c1CNC(=O)NNc1ncncc1Cl	852577644	IGZWSHDPJISMIT-UHFFFAOYSA-N	321.772	1.567	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2nc(O)c3ccccc3n2)nc1	758310990	SLANUVMVMUFTBF-UHFFFAOYSA-N	306.285	1.359	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ccc(Cl)nc2)CCCC1	857141394	JSIHZSSWBWOUQY-UHFFFAOYSA-N	317.798	1.536	50	20	DDGD	
C[C@@]1(CNC(=O)CNc2ccc(C#N)cn2)C[C@@H]1Br	857732857	DLQASWBDSUCSCW-GWCFXTLKSA-N	323.194	1.655	50	20	DDGD	
C[C@@H]1C[C@H](CCNC(=O)NNc2ncc(Cl)cn2)CCO1	856885332	WMTDGTDTUFMMJE-NXEZZACHSA-N	313.789	1.961	50	20	DDGD	
CCC(=NNC(=O)COc1ccccc1F)c1ccn(C)n1	758072795	FJFUVENUDBNWFH-UHFFFAOYSA-N	304.325	1.869	50	20	DDGD	
COC[C@@H](OC)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	854196365	XCWKFXXVLXTUMR-RRHJKOLHSA-N	310.394	1.012	50	20	DDGD	
CCN(CC)[C@@H]1CCN(C(=O)NNC(=O)c2cc(C)cs2)C1	858706312	QKUJNVGOTCUXLH-GFCCVEGCSA-N	324.450	1.827	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cccc(NC(=O)NC(C)C)c1	854925993	RTJDBWJROHLDSD-UHFFFAOYSA-N	323.422	1.297	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@H](CO)C[C@@H]1CCCO1	923740283	IIYIIJUMLUETNA-GARJFASQSA-N	322.243	1.842	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cnc2n1CCCC2	750789231	SNULIQZMNMKCEL-UHFFFAOYSA-N	301.306	1.885	50	20	DDGD	
Cc1ccnc(NNC(=O)Cn2cnc3c(C)cccc3c2=O)c1	755850643	NUZYZHLFZDEFQE-UHFFFAOYSA-N	323.356	1.552	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)c1C	855624229	GQTBXKHDPXZDST-UHTWSYAYSA-N	316.357	1.840	50	20	DDGD	
COCCN1CCC(NC(=O)NNc2ccc(C)c(F)c2)CC1	853487809	YBIBOOSICUYVIH-UHFFFAOYSA-N	324.400	1.871	50	20	DDGD	
CCO[C@@H]1CCCN(C(=O)NNC(=O)c2cc(C)cs2)C1	858706069	PUNKSAOZLQIMCN-LLVKDONJSA-N	311.407	1.912	50	20	DDGD	
N#Cc1ccc(NNC(=O)COC[C@H]2CCCO2)cc1Cl	753307006	YPWPUZMOVAQALD-GFCCVEGCSA-N	309.753	1.850	50	20	DDGD	
CC(C)C[C@@H](CO)NC(=O)NC[C@@]1(C)C[C@@H]1Br	856894533	UJQJTYNGMWDBMR-JBLDHEPKSA-N	307.232	1.866	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C1CC2(CC2)C1	854217422	NDWRNOCCGUYLRK-JTQLQIEISA-N	306.337	1.931	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)c2cn[nH]c2)[C@@H]1c1ccccc1	858704194	NLFOZIQFUZQQDF-CYBMUJFWSA-N	313.361	1.847	50	20	DDGD	
O=C(NN=C/C=C\c1ccc(F)cc1F)C(=O)N1CCCC1	758109498	NUEVVZPXIRPSCH-UUAAWDQKSA-N	307.300	1.702	50	20	DDGD	
Cc1nnc(CC(=O)NNc2nccnc2C2CCC2)s1	854458649	OWBFNCJLPKYCID-UHFFFAOYSA-N	304.379	1.590	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CCN(C)[C@@H](C)C2)cc(C#N)n1C	753617817	WBXLIIWMJLRQEE-CUTJPZLCSA-N	311.389	1.275	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cc2nnc(C)s2)c1C	855624289	INMWAARCDNNZPL-UHFFFAOYSA-N	320.374	1.627	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@@H]2CCC(=O)N2C)c1C	855624991	YHICDQTUHHKXDP-NSHDSACASA-N	319.361	1.236	50	20	DDGD	
Cc1noc(C)c1C=NNC(=O)CNC(=O)c1cccs1	750948038	MTMNKHSCRMZFGK-UHFFFAOYSA-N	306.347	1.233	50	20	DDGD	
C[C@@H](C=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1	756878669	CRMIETJATKHUIT-JQWIXIFHSA-N	312.366	1.466	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)C2[C@H]3CCCCCC[C@H]23)nn1	857150924	VYNQRSBFZJKBOS-UWVGGRQHSA-N	303.366	1.235	50	20	DDGD	
C#CC[C@H](CCOC)NC(=O)NNC(=O)Nc1ccccc1C	859026323	KVUJIWHJCTVVBX-CYBMUJFWSA-N	318.377	1.759	50	20	DDGD	
O=C(C[C@H]1CSCCS1)NNC(=O)NCC(F)(F)F	752285580	AVCNNZFXJCFHFO-LURJTMIESA-N	317.358	1.118	50	20	DDGD	
CNCCC1CCN(S(=O)(=O)CC(C)(C)CCl)CC1	866760483	SGCGSGJGOXSVQQ-UHFFFAOYSA-N	310.891	1.903	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](C)[C@H]2CCC(=O)N2)c1C	862185171	VNUWJESPNZSIOS-ZYHUDNBSSA-N	319.361	1.139	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CN(C)[C@H]2CCSC2)n1	764374463	XXPBKAPAZNQRTP-VIFPVBQESA-N	315.830	1.319	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(C3CC3)nc2O)n1	935294923	DXORDRPIHJFNJV-UHFFFAOYSA-N	300.318	1.825	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN1C1CCCC1)c1ccc(Cl)nc1	862468161	SNQRJCNVVPKQFI-LBPRGKRZSA-N	322.796	1.513	50	20	DDGD	
Cc1ccc([C@@H](C)[C@@H](O)C(=O)NNC(=O)c2ccc(C)o2)cc1	765142507	NXPPANVFFUWVKO-IUODEOHRSA-N	316.357	1.822	50	20	DDGD	
CC(=O)Nc1cccc(/C=C(\C#N)S(=O)(=O)NC2CC2)c1	865223456	IOUGVHPGDJQQCQ-RIYZIHGNSA-N	305.359	1.591	50	20	DDGD	
Cc1[nH]c(C(=O)NNC(=O)OCC(F)(F)F)c(C)c1C=O	862216818	RYESPNBXFIENDK-UHFFFAOYSA-N	307.228	1.377	50	20	DDGD	
CCCOc1cc(C=NNC(=O)[C@@H]2CCC(=O)N2)ccc1OC	863145041	FCHPKZUXKQOCED-LBPRGKRZSA-N	319.361	1.213	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1	861734629	HCUQNSPBUDVCTF-MRVPVSSYSA-N	319.192	1.035	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccnc(Sc2ccccn2)c1	765181070	YOSODCWDAUCCQE-UHFFFAOYSA-N	303.347	1.800	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cc(C)cs1)N1CCCC1=O	862475912	BPMPBVGCZCUXFQ-JTQLQIEISA-N	309.391	1.219	50	20	DDGD	
COc1cccc(OC)c1CC(=O)NN[C@H](C)C(F)(F)F	862311168	KONSSOGEYVHLIB-MRVPVSSYSA-N	306.284	1.818	50	20	DDGD	
CC[C@H](C)CCNC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1118818722	QTXLUWPOMUMOCU-KWBADKCTSA-N	319.243	1.829	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccccc1N1CCCC1	1116506128	FGSNVOKIZPDPNK-UHFFFAOYSA-N	304.350	1.093	50	20	DDGD	
O=C(NNS(=O)(=O)c1cc(Cl)cnc1Cl)C1CCC1	872352597	ZHLOIKBSQYHBFZ-UHFFFAOYSA-N	324.189	1.498	50	20	DDGD	
C/C=C(/C=C/C(=O)OCC(=O)NNC(=O)c1ccccc1)CC	767661805	VJRZUWRVHMUMCK-NZZGVPOCSA-N	316.357	1.903	50	20	DDGD	
Cc1ccc2c(CCC(=O)NNC(=O)C(C)(C)O)c[nH]c2c1	768241944	UMPKKTPLRGTLLI-UHFFFAOYSA-N	303.362	1.327	50	20	DDGD	
COC(=O)C(=O)NNC(=O)NCC1(c2ccccc2)CCCC1	1116186983	JMBRFQXROBUCIQ-UHFFFAOYSA-N	319.361	1.002	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1ccc(OC(C)C)cc1	872403265	KQWSBQJAVGRPKB-UHFFFAOYSA-N	308.378	1.977	50	20	DDGD	
COC[C@H](NC(=O)NN(C)C(=O)OC)c1ccc(Cl)cc1	875540627	DNZMQJYUSZWSKY-NSHDSACASA-N	315.757	1.940	50	20	DDGD	
COC(=O)[C@H](C)n1cccc1C=NNC(=O)c1ccncc1	774574494	HVMNEUZTXFPKNF-NSHDSACASA-N	300.318	1.381	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874952734	FSXVXFQZCULJQB-OAHLLOKOSA-N	322.434	1.397	50	20	DDGD	
Cc1cc(=NNC(=O)NCC[C@@]2(O)C[C@H]3CC[C@H]2C3)cc[nH]1	875612981	GCXLEFSQWBRIKD-HEHGZKQESA-N	304.394	1.379	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@@H]2N(C)CCCC2(C)C)cc[nH]1	875545398	VWIGGEAUQDHROV-AWEZNQCLSA-N	305.426	1.558	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C/c1cccs1	771892231	XMEMYOTUWAZOEG-XUIVZRPNSA-N	324.402	1.887	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)C1(C)CC(F)(F)C1	873838068	QEADLZWOMXDGAO-UHFFFAOYSA-N	322.315	1.839	50	20	DDGD	
CN(C)CCn1cc(C(=O)NNc2nc3ccccc3[nH]2)cn1	870208272	BGPOCTXZQNDMMY-UHFFFAOYSA-N	313.365	1.078	50	20	DDGD	
CN(Cc1ccc(C(N)=O)cc1)C(=O)NNC(=O)C1CCCC1	1116758136	LAFYXTPQNWUSNX-UHFFFAOYSA-N	318.377	1.148	50	20	DDGD	
CN(NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C)C(N)=O	778417205	PYTSNONESXCSST-UHFFFAOYSA-N	302.375	1.112	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NOC2CCCC2)cc1C	775488910	KRLIYDPRYBBJSI-UHFFFAOYSA-N	321.377	1.887	50	20	DDGD	
O=C(NN=Cc1cc(F)cc(Cl)c1)C(=O)Nc1ccccn1	776726948	WIBYKOXFKQETCJ-UHFFFAOYSA-N	320.711	1.963	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1c(C2CC2)nc2sccn12	779818597	SKCIQLQTZMZGQK-UHFFFAOYSA-N	321.362	1.079	50	20	DDGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1ccncn1	777635467	GYUWNIVSIRJXMV-UHFFFAOYSA-N	311.128	1.858	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)c1ccc2ccccc2n1)C(C)C	770201911	GJJIVAJRPCTVNB-AWEZNQCLSA-N	301.346	1.667	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)Cc1ccc(F)cc1	772047123	KANGKBJLIOKICR-WDEREUQCSA-N	324.352	1.493	50	20	DDGD	
Cc1nnc(CNC(=O)NNc2cccc([N+](=O)[O-])c2)s1	780904416	ZIDZZJZTKNRJAC-UHFFFAOYSA-N	308.323	1.581	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1csc(Nc2ccccn2)n1	780711369	NSAPVHJZLBPZAA-UHFFFAOYSA-N	320.378	1.588	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCCOC(F)(F)F)c1	788845247	UCKCGPLLESXVJY-UHFFFAOYSA-N	316.239	1.039	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)C1CCC(F)(F)CC1	788712580	KOESEPCQDGNGGH-UHFFFAOYSA-N	301.337	1.926	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@H]1CCCN1C1CC1	787341830	XZYKMAPKEDKFBU-CYBMUJFWSA-N	313.361	1.807	50	20	DDGD	
CC(C)(C(=O)NN=c1cc[nH]cc1)c1ccc([N+](=O)[O-])cc1	780759234	FBFJNDLBWPOIFQ-UHFFFAOYSA-N	300.318	1.833	50	20	DDGD	
CC(C)[C@@](C)(O)C(=O)NNC(=O)NCc1ccc(Cl)cc1	787430587	DCZKNZYDGBIAIL-CQSZACIVSA-N	313.785	1.577	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1c(C)ccc2cccnc12	782477462	RXYQBSMQXAOJNX-UHFFFAOYSA-N	322.390	1.398	50	20	DDGD	
CO[C@@]1(C(=O)NNC(=O)c2c[nH]c3ccccc23)CCSC1	895519606	XTDUAJYXKFANJW-HNNXBMFYSA-N	319.386	1.451	50	20	DDGD	
CC(C)(O)CCC(=O)NNc1nnc(-c2ccccn2)s1	787572383	JKHSVZCYVCXTIS-UHFFFAOYSA-N	307.379	1.594	50	20	DDGD	
Cn1nccc1COCC(=O)NNc1cc(C#N)cc(Cl)n1	786505791	QMGKHKMLOIHKFK-UHFFFAOYSA-N	320.740	1.000	50	20	DDGD	
C[C@H]1CC[C@H](CNC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	793465334	UFRYHOAXEPACGH-QWRGUYRKSA-N	320.349	1.975	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCc1ccc2c(c1)OCO2	791013706	XDEHQVQMWYZAHP-UHFFFAOYSA-N	314.345	1.988	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccc(OC(F)F)cn1	791243537	DHTMVTUJTTXQHR-UHFFFAOYSA-N	320.259	1.483	50	20	DDGD	
O=C(NN=Cc1ccc2occc2c1)C(=O)Nc1ccccn1	794918694	JMVRGOYWBWAGCG-UHFFFAOYSA-N	308.297	1.917	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cc2ccccc2c(=O)o1	797748125	HGCVOFZFVQYISK-UHFFFAOYSA-N	300.249	1.479	50	20	DDGD	
CC(C)n1ccc(NC(=O)NNC(=O)c2cccc(C#N)c2)n1	797679913	OOGOUQAAXNHTCT-UHFFFAOYSA-N	312.333	1.802	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cc(F)cc([N+](=O)[O-])c1N	791222628	NUMIIPJCZPLWSR-UHFFFAOYSA-N	305.269	1.776	50	20	DDGD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NNc1ccccc1S(C)(=O)=O	793681225	IJPKAIQISONCKV-MNOVXSKESA-N	324.402	1.539	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)N[C@@H](C)[C@H]1CN(C)CCO1	799606071	QQTDDTXLHILOQS-DZGCQCFKSA-N	320.437	1.903	50	20	DDGD	
O=C(NN=Cc1ccc(C(F)F)cc1)[C@@H]1CCS(=O)(=O)C1	794487882	FJNYLBOCCKQOJB-LLVKDONJSA-N	316.329	1.509	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1c(C)nn(C(C)C)c1C	790174314	RBSAPURSYOGNOO-UHFFFAOYSA-N	320.441	1.762	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2nc3ccccn3n2)c1Cl	791243327	OBXUGHDOESFQBR-UHFFFAOYSA-N	319.756	1.664	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)N[C@@H]1CCCc2ccccc21	1346712082	OBWBYDWIFXLLIY-OAHLLOKOSA-N	316.405	1.394	50	20	DDGD	
CC(C)OC(=O)CC[C@@H](C)NC(=O)NNC(=O)c1ccccc1	792305098	UJJYFAZGUHAGTR-GFCCVEGCSA-N	321.377	1.751	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCc2cccc(F)c2)n1	792778609	VJOAIRZISSIEEV-UHFFFAOYSA-N	316.336	1.716	50	20	DDGD	
Cc1c(C(=O)O)oc2c1C(=NNC(=O)[C@@H]1CCOC1)CCC2	792649908	SKZKTHLWXLENAX-SECBINFHSA-N	306.318	1.479	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2scnc2Cl)cc1	1318025766	MCHDTBYOZPWMBJ-UHFFFAOYSA-N	311.750	1.880	50	20	DDGD	
COCC1(O)CN(C(=O)CCCC[C@H]2CCSS2)C1	1328052402	WCVJJANULLOTAI-NSHDSACASA-N	305.465	1.920	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Nc2ncccc2OC)cc1	1320492354	RECGGILEFBRUCG-UHFFFAOYSA-N	316.317	1.565	50	20	DDGD	
O=C(NCc1ccc2c(c1)CCC2)NNC(=O)[C@@H]1CCCCO1	1326656818	JIANECAMQZZMMI-HNNXBMFYSA-N	317.389	1.575	50	20	DDGD	
C[C@]1(Cn2nnnc2N2CCC(F)(F)C2)C[C@@H]1Br	1334659233	VIWNCNKRSVHMIU-IONNQARKSA-N	322.157	1.692	50	20	DDGD	
COc1cccc(NNC(=O)NCc2cc(N(C)C)ccn2)n1	1263163117	HMVQKTKJYRCFER-UHFFFAOYSA-N	316.365	1.378	50	20	DDGD	
Cn1cc([C@H]2CN(C(=O)C3CCC(Cl)CC3)CCN2)cn1	1350133634	DLKLABFAHSMFJC-UXUKBGGZSA-N	310.829	1.691	50	20	DDGD	
CCSC1(CNC(=O)NNC(=O)c2ccc(OC)cc2)CC1	1350592894	CVWHBVAVENEMII-UHFFFAOYSA-N	323.418	1.925	50	20	DDGD	
CSCC[C@H](O)C(=O)NNc1cccc(F)c1C(=O)O	1607396157	AGVVTVCRVPJXQU-VIFPVBQESA-N	302.327	1.081	50	20	DDGD	
CCCC[C@H](NNC(=O)Cn1ccc2ccccc21)C(=O)O	1609960913	BGTPIKUVGYVDKQ-ZDUSSCGKSA-N	303.362	1.906	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1cc(-c2nn[nH]n2)cs1	1609559667	YHLJAVQZSLETEI-UHFFFAOYSA-N	305.298	1.219	50	20	DDGD	
NC(=O)NN=Cc1ccc(OCc2ccc(C(=O)O)cc2)cc1	1608240117	UQUQEYREEJHRRF-UHFFFAOYSA-N	313.313	1.966	50	20	DDGD	
Cc1c(NNC(=O)c2ccoc2CC(=O)O)cccc1[N+](=O)[O-]	1600054233	PAJQECGOKNEOLK-UHFFFAOYSA-N	319.273	1.880	50	20	DDGD	
Nc1nc(Cl)ccc1C(=O)NNc1cccc(C(=O)O)c1	1601219782	KGWVRKWCKTZULF-UHFFFAOYSA-N	306.709	1.772	50	20	DDGD	
CC(C)(CCC(=O)NNc1cccc(C(=O)O)c1F)[N+](=O)[O-]	1603593046	AFZYRVGOGOBCDB-UHFFFAOYSA-N	313.285	1.803	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)Nc2cnoc2)cc(-c2nn[nH]n2)n1C	1609383538	XNTAWZPKRZLYET-KMKOMSMNSA-N	324.304	1.047	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2nccnc2Cl)c(F)c1	1608905221	HTDHKSNKPFVJLB-UHFFFAOYSA-N	310.672	1.724	50	20	DDGD	
CSSCCNC(=O)CCc1ccc(-c2nn[nH]n2)cc1	1609371951	FYZXQMJKQKCURU-UHFFFAOYSA-N	323.447	1.927	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)N[C@@H]1C[C@H]2C[C@H]1[C@H](CO)C2	1608483344	OBAAGHJGHOACGR-DGFQIJBJSA-N	319.361	1.418	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)CC(C)(C)CC(=O)O)c1	1610104445	WWLTXOXTCHMQSJ-UHFFFAOYSA-N	321.377	1.405	50	20	DDGD	
CO[C@@H]1C[C@H](c2nnc3cnccn23)N(C[C@@H]2[C@@H](C)[C@H]2Cl)C1	1550633809	SNIXBVGGWORCBA-CBLPJQPBSA-N	321.812	1.759	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)[C@H](C)CN)cc1OC	1577471489	ZSMXNMYYHZKHSJ-LLVKDONJSA-N	323.393	1.230	50	20	DDGD	
C=C(CCC(=O)O)C(=O)NNc1cccc(C(=O)OC)c1C	1573338123	YBCLGCUUIDZAJK-UHFFFAOYSA-N	306.318	1.646	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H]2CCCCN2)c1	1573307515	UFBZXQOGKYBKFN-CYBMUJFWSA-N	302.403	1.128	50	20	DDGD	
C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)NNc1cccc(F)c1F	1576907341	MAXCHARYQNIVDR-GZMMTYOYSA-N	314.336	1.704	50	20	DDGD	
CCCn1cc(C(=O)NNc2ncccc2C(=O)O)c(C)n1	1589694847	QXCOQIAQUMFTKN-UHFFFAOYSA-N	303.322	1.452	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc(F)n1)[C@@H]1C[C@H](C(=O)O)C1(C)C	1589108498	BUVYKEAQKMBVPX-KXUCPTDWSA-N	324.356	1.982	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2N1)c1ccccn1	1580732956	KYPCMECFQYSWHR-SCRDCRAPSA-N	302.378	1.153	50	20	DDGD	
CSCC[C@H](O)C(=O)NNc1ccc(F)c(C(=O)O)c1	1599796417	NMIDJFBLXVXZAF-JTQLQIEISA-N	302.327	1.081	50	20	DDGD	
O=C(NNc1cccc(Cl)c1)c1cc(-c2nn[nH]n2)ccn1	1593167427	KKPBSQJEJOAYRL-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)CC(C)(C)CCl)C[C@H]1CC(=O)O	1599867596	CPKFCUAHXYUMSM-NXEZZACHSA-N	311.831	1.624	50	20	DDGD	
CO[C@H](CNC(=O)NNc1ccc(F)c(C(=O)O)c1)C1CC1	1599049428	KAWSFDXJHNZGBA-GFCCVEGCSA-N	311.313	1.575	50	20	DDGD	
CC[C@@H](C)[C@H](NNC(=O)c1cccc2ncccc12)C(=O)O	1594919801	DOAIEIKVLUEPBM-YGRLFVJLSA-N	301.346	1.969	50	20	DDGD	
O=C(/C=C/c1ccc(C(=O)O)o1)NNC(=O)NC1CCCCC1	1594672979	SWIMKAIPOGASOK-VQHVLOKHSA-N	321.333	1.654	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1cc(C#N)ccc1C(=O)O	1776082172	BGVAOBGFTHSNOS-BXKDBHETSA-N	301.302	1.132	50	20	DDGD	
C=CCC(=O)N1CCO[C@]2(CCN(C(=O)C(Cl)Cl)C2)C1	1783951146	ZSISLJRNASWHHT-CYBMUJFWSA-N	321.204	1.196	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2sc(N(C)C)nc2C)n1	158545139	OGPBHIGVRMHSIK-UHFFFAOYSA-N	306.395	1.681	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@H](c1cccc(F)c1)N(C)C	158666820	GVSFEDWQKJKNBK-BMOGTNHUSA-N	305.353	1.989	50	20	DDGD	
CS[C@H](C)CNC(=O)NNC(=O)c1c[nH]c2ccccc12	163790997	WBPSZZBATOOMDU-SECBINFHSA-N	306.391	1.863	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1	163808263	CZXKSBDGDLRZAY-UHFFFAOYSA-N	319.296	1.926	50	20	DDGD	
COc1cc(C(=O)NNc2ncnc3nc[nH]c23)ccc1F	159796506	GGVSCTDXBITWQA-UHFFFAOYSA-N	302.269	1.258	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1ccc(O)c([N+](=O)[O-])c1	209998518	OGKCZZSIQFRARH-WQLSENKSSA-N	319.317	1.750	50	20	DDGD	
Cn1cc(Br)cc1C(=O)NNC(=O)OC(C)(C)C	185184896	HLKNAHLMCPXWRP-UHFFFAOYSA-N	318.171	1.957	50	20	DDGD	
C[C@H](Cn1cccn1)NS(=O)(=O)c1ccc(CCl)cc1	312804305	HLPVCRMSCCUUHR-LLVKDONJSA-N	313.810	1.989	50	20	DDGD	
COC[C@](C)(O)CNS(=O)(=O)c1ccc(CCCl)cc1	382566109	OFPIOOVFRCZGLX-CYBMUJFWSA-N	321.826	1.144	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CN1C(=O)c2ccccc2C1=O	816628609	CKWTXTIXLPKRBN-UHFFFAOYSA-N	315.156	1.545	50	20	DDGD	
COC(=O)N1CCC(=NNC(=O)c2cccc([N+](=O)[O-])c2)CC1	54860680	REWJGWPYPCVQNX-UHFFFAOYSA-N	320.305	1.543	50	20	DDGD	
N#Cc1cccc(CNC(=O)NNC(=O)Cc2cccnc2)c1	103511924	GZFZVQBEWILQKU-UHFFFAOYSA-N	309.329	1.026	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)Cc2cccnc2)cc1F	103424488	SFYBYXUFIRTTCO-UHFFFAOYSA-N	317.320	1.162	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@H]2C[C@@H]2C2CC2)cc1	175874004	HWPVULAAWTURSS-KGLIPLIRSA-N	303.362	1.301	50	20	DDGD	
COc1ccc([C@H](C)CC(=O)NNC(=O)c2cccn2C)cc1	175067839	GGTHLINBMCALDT-GFCCVEGCSA-N	315.373	1.989	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1ccc2c(c1)CCC2	103060303	BQSHAKLGXVHLOX-UHFFFAOYSA-N	310.419	1.921	50	20	DDGD	
CCCC(=O)N1CCC[C@@H](C(=O)NNC(=O)CC(C)(C)C)C1	103196745	WKUOYZLMXCWXMW-GFCCVEGCSA-N	311.426	1.609	50	20	DDGD	
Cn1cc(CNC(=O)NNC(=O)c2ccc(Cl)cc2)cn1	54809136	QLYWEXMLPGIFLJ-UHFFFAOYSA-N	307.741	1.218	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)COCC(F)(F)F)c1ccccc1	110338130	PCQIGYRDFKTSNA-NSHDSACASA-N	318.295	1.907	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1Cl	112882012	MBVREJUJXCWSQE-ZETCQYMHSA-N	303.721	1.597	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])s2)cc1	61474676	VRBZUNVMHLUMRQ-UHFFFAOYSA-N	316.298	1.603	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CCCCOc1cccc(C#N)c1	110670195	ILXGWTIXRSGWPW-UHFFFAOYSA-N	318.377	1.846	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)ncn1	173608005	CGKJDKGZBCQKSN-LLVKDONJSA-N	324.348	1.143	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@@H]1COc2ccccc21	113461657	RVGDVUWXEIRPOC-GFCCVEGCSA-N	305.403	1.458	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1F)c1ccc(Br)s1	1348433863	KBCMDFFJAPVTGG-RFZPGFLSSA-N	307.144	1.630	50	20	DDGD	
O=C(NNC(=O)c1cncn1-c1ccccc1)c1ccccn1	21898161	VXDCFTLNQKCQRH-UHFFFAOYSA-N	307.313	1.342	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc(F)cc1O	123746333	SHHXQHQKRCGQOR-UHFFFAOYSA-N	304.277	1.615	50	20	DDGD	
Cc1ccccc1C[C@H](CO)NC(=O)NNC(=O)C(C)(C)C	188086419	XDINBDAGFUODOJ-CYBMUJFWSA-N	307.394	1.275	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1ccc(-n2ccnn2)cc1	184789089	FKIHXLYNJBBORY-UHFFFAOYSA-N	316.365	1.856	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)c1	75816311	PRBOPHFPVCIVGH-CQSZACIVSA-N	324.384	1.882	50	20	DDGD	
CCCCn1nccc1NC(=O)C(=O)NNC(=O)CC(C)(C)C	126153451	UBDDVAJGDOZQTP-UHFFFAOYSA-N	323.397	1.205	50	20	DDGD	
C[C@@H](SCC(=O)NN(C)C(N)=O)c1nc2ccccc2[nH]1	181081325	JNDNVZPSOKUPGM-MRVPVSSYSA-N	307.379	1.399	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H](C)CN2CCC[C@H](C)C2)n1	181430261	MCNGAJPJIPYZAJ-QWHCGFSZSA-N	321.425	1.837	50	20	DDGD	
CCc1n[nH]c(=O)c(C(=O)NNc2cc(C)nc(C)n2)c1CC	129103375	RISRGIXDJKSUMV-UHFFFAOYSA-N	316.365	1.058	50	20	DDGD	
COc1cccc(NNC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)n1	180699474	MLNIIMOXJKYGBM-FOSCPWQOSA-N	303.362	1.929	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1ccc(-n2nccn2)cc1	184057189	DCVBNFTVPBNFKW-UHFFFAOYSA-N	323.316	1.129	50	20	DDGD	
CC[C@H](C)NC(=O)CCNC(=O)NNc1cc(Cl)ccn1	180716384	UROMQJXFKLDNNQ-VIFPVBQESA-N	313.789	1.666	50	20	DDGD	
CCCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1ccccc1	71999905	PEZOMMNPJBDVPC-AWEZNQCLSA-N	317.389	1.629	50	20	DDGD	
CC[C@H]1CCN(CC(=O)NNC(=O)c2cccc(Cl)c2)C1	125343826	VPQQTQAOWVSCDH-NSHDSACASA-N	309.797	1.833	50	20	DDGD	
O=C(C[C@@H]1C=CCCC1)NNC(=O)[C@H]1COc2ccccc2O1	186039323	CLELTFJDRHSLML-IUODEOHRSA-N	316.357	1.720	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H](C(=O)NNc2ccc(F)cc2F)O1	188499795	PUQBKRBOSAVYDB-WDEREUQCSA-N	300.261	1.129	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(C)n(-c2ccc(C)cc2)n1	183411129	QEAYTJBHLMZSRF-UHFFFAOYSA-N	302.334	1.880	50	20	DDGD	
CN(NC(=O)c1csc(Cc2cccc(F)c2)n1)C(N)=O	182967113	IXAFIAMXJNNEDD-UHFFFAOYSA-N	308.338	1.528	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2Cl)C[C@H]1C	72870359	BCKNRQWWEVEJKQ-GHMZBOCLSA-N	309.797	1.689	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C(=O)Nc2cccnc2)c1	134378111	FDARKDOHXOLXGK-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc(OC)cc1C	48654538	ILLOINHEHLQBSB-SECBINFHSA-N	300.380	1.359	50	20	DDGD	
O=C(CSc1ccccc1)NNC(=O)NCC(F)(F)F	48831998	QVGDUQFDHBQEGJ-UHFFFAOYSA-N	307.297	1.671	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)C(=O)NNC(=O)c1ccc(C#N)cc1	132039600	GVSWEFWMIXVNJD-SECBINFHSA-N	311.345	1.463	50	20	DDGD	
CC(C)C[C@@H](CNS(=O)(=O)CBr)C(=O)O	380148772	ADSACXMBZBUEEK-ZETCQYMHSA-N	302.190	1.005	50	20	DDGD	
CNC(=O)NNC(=O)CCNc1cc(Cl)ccc1OC	49425216	PBCRHIAQSGFNOU-UHFFFAOYSA-N	300.746	1.111	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC2CCCCCCC2)n1	42952913	ZMDMZUHGPUZZFG-UHFFFAOYSA-N	321.425	1.943	50	20	DDGD	
CCOC(=O)N1CCC[C@H](C(=O)NNC(=O)C2CCCC2)C1	47451984	CGQLXNFSFLGZKN-LBPRGKRZSA-N	311.382	1.193	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@@H]1C[C@H]1c1cccc(Cl)c1	194896086	NDGYBDPEYADKES-QWHCGFSZSA-N	323.780	1.517	50	20	DDGD	
CCC[C@H](C(=O)NNC(=O)N1CCOCC1)c1ccccc1	194904194	NPLYGDSPEYYEND-AWEZNQCLSA-N	305.378	1.643	50	20	DDGD	
CNC(=O)NNC(=O)C1CCN(c2nc3ccccc3o2)CC1	97714312	GTQNLWOLMQYLMK-UHFFFAOYSA-N	317.349	1.004	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])c(O)c1	255334037	OGNHSTZPBRKCPU-YRNVUSSQSA-N	305.290	1.360	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)COc2ccccc2OC)O1	268244367	AMZPNLILOAXSDL-BXUZGUMPSA-N	322.361	1.179	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNc2nc(O)c3ccccc3n2)O1	268185062	MDTVLRBVPZMGQR-CABZTGNLSA-N	302.334	1.736	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H](C(=O)NNc1ncccn1)C(C)(C)C	269268045	MKGLCNUPHNEHDE-SNVBAGLBSA-N	323.397	1.859	50	20	DDGD	
CC(C)C[C@H](C)CC(=O)NNC(=O)COc1ccccc1O	264591918	WIBLMZCFIDGPFI-LBPRGKRZSA-N	308.378	1.991	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CC[C@@H]3OCCC[C@@H]3C2)n1	366288454	UXJIEXCESIGSMI-OCCSQVGLSA-N	318.377	1.245	50	20	DDGD	
Cc1nc(-c2ccc(C)c(NC(=O)NNC(=O)C3CC3)c2)n[nH]1	274145524	RTAOUQNUGQEDCC-UHFFFAOYSA-N	314.349	1.651	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CS[C@@H]1CCCOC1	272512326	WCIWWGRZOYOPGV-CQSZACIVSA-N	322.430	1.597	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(OCCOC)nc1	273461504	GANPXZPJIDRZOV-SNVBAGLBSA-N	310.354	1.306	50	20	DDGD	
O=C(NNS(=O)(=O)c1cncc(Cl)c1)NC1CCCC1	271049961	OJRMXJAMRNARPR-UHFFFAOYSA-N	318.786	1.170	50	20	DDGD	
CCNC(=O)N(C)NC(=O)/C=C/c1cc(OC)ccc1OC	272943923	HKCKISIWDLOCEZ-RMKNXTFCSA-N	307.350	1.410	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccccc1Br	271251738	FJPFXNTVJBSZEE-UHFFFAOYSA-N	300.156	1.755	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)C2CCC2)c(OC)c1	275419731	HLZJZJNIRZXRAZ-UHFFFAOYSA-N	321.333	1.435	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2cccnc2C)nc1C	272248054	YULCMDVVSQNGBH-UHFFFAOYSA-N	315.333	1.422	50	20	DDGD	
CCCc1nc(C(=O)NNC(=O)COCc2ccccc2)co1	273637483	TXCLRROKKRGZCJ-UHFFFAOYSA-N	317.345	1.605	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NCCF	280859864	CKUHMTKCOYTWBJ-QMMMGPOBSA-N	303.721	1.407	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCCC23CCOCC3)o1	282885941	QEJIGAMBKWSSEA-CYBMUJFWSA-N	321.377	1.881	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc2[nH]cnc2c1	288001339	OROVWDCJPQOPCU-UHFFFAOYSA-N	320.349	1.113	50	20	DDGD	
C=CC[C@@H](CC)NC(=O)NNC(=O)COCc1ccccc1	281311967	JZXVYFYKOFVKSI-CQSZACIVSA-N	305.378	1.888	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](NC(=O)c1cccc(C)c1)C(C)C	286306875	KENBNULKMHOOCE-CYBMUJFWSA-N	321.377	1.479	50	20	DDGD	
COCc1nnc(-c2cccc(C(=O)NN(C)C(=O)OC)c2)o1	286453107	SKYYENCUXIRFAJ-UHFFFAOYSA-N	320.305	1.226	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)CCCC#N)cc1OC	290958623	NAFQCNMVMNTKHO-UHFFFAOYSA-N	319.361	1.939	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)OCCc2ccccc2)o1	295107495	KXJKYBSMLMNEGX-CYBMUJFWSA-N	316.357	1.997	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=O)Cc2ccc(F)cc2)o1	292453601	OCLGOLHRZQGBFN-UHFFFAOYSA-N	305.309	1.688	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc(N2CCOCC2)cc1	294199195	PIAVRLASZBUTDN-UHFFFAOYSA-N	303.362	1.084	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@@H]1OC[C@H]2COCC[C@@H]21	290908693	MYIIHUPOMAUUOE-MBNYWOFBSA-N	318.377	1.239	50	20	DDGD	
O=C(CCCOCCc1ccccc1)NNc1ccncn1	295372199	DQIPKGQUEHLCQA-UHFFFAOYSA-N	300.362	1.959	50	20	DDGD	
CC1CCN(S(=O)(=O)NNC(=O)c2ccccc2F)CC1	808068982	NRMVXZVFFCSUHU-UHFFFAOYSA-N	315.370	1.037	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1cccc(O[C@@H](C)C(=O)O)c1	299332910	QBLARZURTSNSNF-ZWSXMNCCSA-N	319.313	1.635	50	20	DDGD	
CN(C)C(=O)CCCC(=O)NNc1ccc2c(=O)[nH]ccc2c1	803435457	ADZKIJAQZKYSTF-UHFFFAOYSA-N	316.361	1.230	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)C1CCN(C2CC2)CC1	802527487	FRLQKGBQJXJGRN-UHFFFAOYSA-N	310.401	1.974	50	20	DDGD	
Cn1ncc2c1CCC[C@H]2NC(=O)NNc1ncc(F)cc1F	297199144	VXUPGTHXOHLXDI-LLVKDONJSA-N	322.319	1.797	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCN1CCc2sccc2C1	299103473	LKTNXKVFSOKETL-UHFFFAOYSA-N	324.450	1.483	50	20	DDGD	
CCN(CCOCCO)C(=O)[C@H](Br)C(C)(C)C	800604329	MBDJBPYOMRCAAM-JTQLQIEISA-N	310.232	1.653	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)CSCC#N)o1	299496283	LZVGIBHJMJNOBT-UHFFFAOYSA-N	324.406	1.139	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CC[C@@H]2CCCO2)cc1	298279765	IPCAIVYRGQECKJ-ZDUSSCGKSA-N	306.362	1.480	50	20	DDGD	
CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)C(C)(C)C)cc1	298832390	AOBJQZFJUOJSIN-UHFFFAOYSA-N	313.379	1.001	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cnc(-c2ncccn2)s1	294066801	GVHDMPJVONPXFI-UHFFFAOYSA-N	303.347	1.161	50	20	DDGD	
CSC1(CNC(=O)NNc2ncncc2F)CCOCC1	293217995	CAWIYIXFRKGYOC-UHFFFAOYSA-N	315.374	1.154	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(C(C)C)cn1	291373988	UZVYFEMAHFSUHT-UHFFFAOYSA-N	320.393	1.271	50	20	DDGD	
CCn1nncc1C(=O)NNC(=O)CCCc1ccccc1	292987800	IHXYALISGFTHTO-UHFFFAOYSA-N	301.350	1.082	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H]1c1cccnc1	805747142	UDVACCLNNFJENL-UKRRQHHQSA-N	318.421	1.801	50	20	DDGD	
C=CCOc1ccc(CNC(=O)NNC(=O)COCC)cc1	807417442	YGCZXVRMCSFROH-UHFFFAOYSA-N	307.350	1.118	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1ccc2c(c1)CCC2	296638574	RRROCIDETWRYFQ-AWEZNQCLSA-N	303.362	1.897	50	20	DDGD	
O=C(NNc1ncncc1F)c1cccc([C@@H]2CCOC2)c1	294151043	VAWJSBCCSVPCGY-GFCCVEGCSA-N	302.309	1.877	50	20	DDGD	
Cc1oc(-c2ccsc2)nc1CC(=O)NNc1nc[nH]n1	816631962	NGOKYOASHLIRLJ-UHFFFAOYSA-N	304.335	1.515	50	20	DDGD	
CC(=O)N[C@H](CC(=O)NNC(=O)CC1CC1)c1ccc(C)cc1	819114592	MTTVVVWDQIFMBA-OAHLLOKOSA-N	317.389	1.510	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NN=C1CCN(CCO)CC1	819807272	DTGIYRLMZCZJTF-UHFFFAOYSA-N	324.812	1.583	50	20	DDGD	
C[C@](O)(C(=O)NNc1cccc(S(C)(=O)=O)c1)C1CCC1	813510100	OQGKHOVKYHXBRT-CQSZACIVSA-N	312.391	1.084	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(N(C)C)cc1)c1cc(CO)on1	812225999	GTRIQBBUHQUQCH-UHFFFAOYSA-N	317.349	1.779	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2CC(=O)N(C)C2)c(C)c1	819037293	NFXPTOXDBIYUBZ-NSHDSACASA-N	320.418	1.099	50	20	DDGD	
CC[C@@H](Cc1ccccc1C)C(=O)NNC(=O)C(=O)NC(C)C	819027936	BXSLBTCHHMECOV-ZDUSSCGKSA-N	319.405	1.236	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	813575237	PYNHDEJRXNYPFV-NXEZZACHSA-N	323.349	1.487	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)c1ccc2ccccc2n1	812450418	HSIVRLQGDANRLF-VXGBXAGGSA-N	315.373	1.914	50	20	DDGD	
CC(C)NC(=O)Nc1ccc(C(=O)NNC(=O)CC2CC2)cc1	819122763	GSLJTRBYQSOPRO-UHFFFAOYSA-N	318.377	1.778	50	20	DDGD	
C=C1c2ccccc2C(=O)N1CC(=O)NCCCSC#N	816539745	RNYXEKFHQRLKFW-UHFFFAOYSA-N	301.371	1.834	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)CNc1ccccc1)n1cccn1	819830191	AZABMATZIMENCD-GFCCVEGCSA-N	301.350	1.094	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1C#N)c1cccc(CO)c1	814743157	WCBOHJYXFJJMEW-UHFFFAOYSA-N	323.352	1.970	50	20	DDGD	
C[C@@H]1CCCC[C@H]1C(=O)NNc1nc(O)c2cnn(C)c2n1	819286165	MNAHCCFQJFDBNN-RKDXNWHRSA-N	304.354	1.338	50	20	DDGD	
CC(C)NC(=O)NC1(C(=O)NNC(=O)CC2CC2)CCCCC1	819110083	RYTWRFVRWPRRDC-UHFFFAOYSA-N	324.425	1.344	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1cccnc1S	726376753	UHYYFQUALRACJK-UHFFFAOYSA-N	314.330	1.572	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N[C@@H]1CCC[C@H](C2CC2)C1	822950921	GGDCHWRLEBVPHT-LSDHHAIUSA-N	316.405	1.923	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	824899221	IENFUJLQBZUTGT-JOYOIKCWSA-N	314.349	1.064	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(C)cc1OCCOC	494362725	JCXAZCVNXBIXQU-UHFFFAOYSA-N	311.338	1.803	50	20	DDGD	
CCc1nc2ccc(Cl)cn2c1C(=O)NN(CC)CCO	823885168	YSQDXBOHPCGQSU-UHFFFAOYSA-N	310.785	1.509	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(F)c(C(F)(F)F)cc1F	823924322	ZBTVXJVZHSIRMO-LURJTMIESA-N	312.238	1.941	50	20	DDGD	
CCN(CCO)NC(=O)Cn1c(CSC)nc2ccccc21	823842102	PHJPQSYLQOBNNY-UHFFFAOYSA-N	322.434	1.245	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cc2occc2[nH]1	826447047	KWSIQMLOBOHEQD-UHFFFAOYSA-N	309.289	1.698	50	20	DDGD	
Cc1n[nH]cc1C=NNC(=O)CCCNC(=O)OC(C)(C)C	494022584	FKGQWBXYCSUEDS-UHFFFAOYSA-N	309.370	1.473	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1ncc(Br)cn1)C(C)C	491485915	RKKQQSGUULSMFC-SECBINFHSA-N	312.171	1.523	50	20	DDGD	
Cc1ccc(C)c(-n2ncc(C(=O)NN(C)[C@H](C)CO)c2C)c1	823947011	RDKQQZAWUUFGGX-CYBMUJFWSA-N	316.405	1.755	50	20	DDGD	
C[C@H](CC(=O)O)C(=O)NNC(=O)NCc1ccc(Cl)cc1	827304698	ZGJSFFNZVPAGOT-MRVPVSSYSA-N	313.741	1.281	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(C(=O)NC(C)C)cc1C	490769733	GSFCLJOQRKKSIC-UHFFFAOYSA-N	308.338	1.526	50	20	DDGD	
CS[C@H]1CCC[C@H]1c1nc(-c2ccc(B(O)O)cc2)no1	585053335	DSBWUCOKEKPLQY-NEPJUHHUSA-N	304.180	1.416	50	20	DDGD	
Cc1nc(Br)sc1C(=O)NN(C)[C@@H](C)CO	823924188	XZUDKLGBWCTLNC-YFKPBYRVSA-N	308.201	1.171	50	20	DDGD	
O=C(/C=C/[C@H]1CCOC1)NNC(=O)c1ccc(Cl)cc1F	493836791	NOSHLRRWUPTUOV-PWTMJPFMSA-N	312.728	1.833	50	20	DDGD	
O=C(Cc1ccc(C(F)(F)F)cc1)N1CC[C@@H](B(O)O)C1	585068313	AOZZSBZCXNUTMY-LLVKDONJSA-N	301.073	1.323	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccoc1C	496096071	WXMLLXFBIDVTJQ-CYBMUJFWSA-N	319.361	1.955	50	20	DDGD	
Cc1oc(CN(C)C(=O)NNC(=O)C(C)(C)C)cc1C(=O)O	738967053	ITHHCVQTXDAMPM-UHFFFAOYSA-N	311.338	1.505	50	20	DDGD	
O=C(COc1ccc2c(c1)CCCC2)N1CC[C@H](B(O)O)C1	585064337	FGIIXLLZHKVZBE-AWEZNQCLSA-N	303.167	1.020	50	20	DDGD	
CCOc1ccc(CNCc2ccc(B(O)O)cc2F)cc1	585017784	ACXQGEBKTAVICN-UHFFFAOYSA-N	303.142	1.194	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@H]1CCCN(C)C1	731124324	VIWCRWAOJDHIHI-CYBMUJFWSA-N	304.394	1.281	50	20	DDGD	
O=C(/C=C\c1ccc2ccccc2n1)NNC(=O)Cc1cc[nH]n1	492549692	LJSQRIBKXIDOIK-FPLPWBNLSA-N	321.340	1.361	50	20	DDGD	
O=C(NNc1ccncn1)Nc1cccc(N2CCOCC2)c1	836316739	DNSFFVSSNNROKA-UHFFFAOYSA-N	314.349	1.462	50	20	DDGD	
O=C1CC[C@@H]2[C@@H]1[C@@H]2C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	905108860	XNVCOSZYHBICIR-WBLYYLQGSA-N	316.401	1.575	50	20	DDGD	
O=C(NNC(=O)C1(c2cccc(Cl)c2)CCC1)c1ncon1	832825743	GCWJQLNORJSNDR-UHFFFAOYSA-N	320.736	1.606	50	20	DDGD	
N#CC1(Cc2nc(-c3ccc(B(O)O)cc3)no2)CCCCC1	585051695	LKYPWQSADXLUDR-UHFFFAOYSA-N	311.150	1.433	50	20	DDGD	
COCCOc1ccc(C=NNC(=O)OCC(F)(F)F)o1	901264558	HNKIJORZKLNDND-UHFFFAOYSA-N	310.228	1.927	50	20	DDGD	
O=C(CN1c2ccccc2Sc2ccccc21)NCB(O)O	585063299	WOJCQDKJPQWSSC-UHFFFAOYSA-N	314.175	1.418	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)cc1	905119358	XKOBZIBUPQAPTO-VHDGCEQUSA-N	314.385	1.970	50	20	DDGD	
Cc1cnc(N2CC[C@H](B(O)O)C2)nc1-c1ccccc1F	585079281	WRFUZVSIZZADMV-NSHDSACASA-N	301.130	1.644	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)cc1)[C@H](C)Oc1ccccc1F	585028675	MUXVFBMXCZUUMB-STQMWFEESA-N	317.169	1.451	50	20	DDGD	
CC(C)C#CC(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	834583525	CKTVRJQXGUICIM-NSHDSACASA-N	308.765	1.914	50	20	DDGD	
CC(=O)c1cc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)ccc1F	831793264	NYQYXPNDAKHMED-KOLCDFICSA-N	323.324	1.606	50	20	DDGD	
CCC/C(C)=C/C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	736418797	HEQXCALTXTUZIY-CSKARUKUSA-N	314.349	1.374	50	20	DDGD	
CC1(C)CN(C(=O)c2cccc(B(O)O)c2)C[C@@H]1c1ccccc1	584966119	UXXQXQNYPYWDOW-QGZVFWFLSA-N	323.201	1.632	50	20	DDGD	
COC[C@H](OC)C(=O)NNc1cc(C(F)(F)F)ccc1F	831118872	FYAISDSNGQABQM-JTQLQIEISA-N	310.247	1.949	50	20	DDGD	
COc1cc(F)cc(C[C@H](C)NC(=O)NNC(=O)C2CCC2)c1	836672612	RWXNDORPEPUYSM-JTQLQIEISA-N	323.368	1.896	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)[C@@H]1CCCc2nn[nH]c21	832218753	VRLONPQMXJUQPT-SECBINFHSA-N	309.333	1.311	50	20	DDGD	
CCC(C)(C)OCC(=O)NNC(=O)NCCc1cccs1	837367126	LEJHVFOUXXSOOF-UHFFFAOYSA-N	313.423	1.826	50	20	DDGD	
O=C(NC[C@H]1CC1(Cl)Cl)NNC(=O)c1ccccc1	915908778	UIYPESGMQWUAPW-SECBINFHSA-N	302.161	1.824	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)c(C)c1	733804743	LECWJXGVZYWQEE-UMVBOHGHSA-N	317.389	1.430	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)Cc1cccnc1	732262238	PVTVSHHYNUDKPK-UHFFFAOYSA-N	309.329	1.041	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H](c1ccccc1)n1cccn1	748724943	YTWIGYZVIPCFRP-CYBMUJFWSA-N	301.350	1.213	50	20	DDGD	
C[C@@H](OC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)NC1CCCC1	837968976	IDUIFXAULWTBLY-ZTFCMROMSA-N	316.361	1.318	50	20	DDGD	
Cc1cccc(F)c1CNC(=O)NNC(=O)CC(F)(F)F	745890025	ODBBWZQAXXLIKM-UHFFFAOYSA-N	307.247	1.917	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(Br)cc(F)c1O	910182414	HUORJCGMVNHCFY-LURJTMIESA-N	321.146	1.251	50	20	DDGD	
Cc1cccc2c1C(=NNC(=O)[C@H](C)CN1CCOCC1)CC2	841614187	HFTRVNIETFCWEY-CQSZACIVSA-N	315.417	1.730	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)[C@@H]1CCCCO1)c1ccccc1C	842151668	WWADTWBDVVBDRQ-KBPBESRZSA-N	306.362	1.399	50	20	DDGD	
O=C(O)Nc1cccc(C(=O)NNC(=O)NCC(F)(F)F)c1	740033821	PGWUKNYCVCEEGM-UHFFFAOYSA-N	320.227	1.283	50	20	DDGD	
CS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2ccco2)cc1	743805018	APERGEYCRXJTLX-UHFFFAOYSA-N	323.330	1.150	50	20	DDGD	
O=C(NNS(=O)(=O)c1cccc2c1OCCC2)C1CCCC1	844647047	IWYBPZSBQQFPCP-UHFFFAOYSA-N	324.402	1.511	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C1(c2ccccc2)CCNCC1	843494304	QKJLQYWQHGCCFF-UHFFFAOYSA-N	304.394	1.000	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cccc2ncccc12)[C@@H](C)O	842231687	MZTZBCAJGCTADE-MNOVXSKESA-N	301.346	1.403	50	20	DDGD	
Cn1cc2c(n1)CCC[C@@H]2C(=O)NNc1nc2ccccc2n1C	848380611	LJMYHPUFFBDIAW-NSHDSACASA-N	324.388	1.870	50	20	DDGD	
NS(=O)(=O)Cc1ccc(C(=O)NNc2cccc(F)c2)cc1	748099335	ZZUQERZCWJPBDO-UHFFFAOYSA-N	323.349	1.371	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1c(C)nc(C(C)C)nc1O	747366437	IZBUEOLTOZASOQ-UHFFFAOYSA-N	309.370	1.358	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCC[C@H](C)OC)cc1	844944192	ABVFIRROFKFFKC-NSHDSACASA-N	309.366	1.453	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1cncnc1C	848399860	ZUEHXEYAEGXQDB-HNNXBMFYSA-N	312.329	1.465	50	20	DDGD	
Cc1noc(CCC(=O)NNc2oc(C(C)C)nc2C#N)n1	746521895	HBYBVNANWHIXRQ-UHFFFAOYSA-N	304.310	1.437	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cccc(C(C)(C)C)c1	847393711	OSHCZEOMHXUMFL-UHFFFAOYSA-N	307.394	1.965	50	20	DDGD	
Cn1c(CC(=O)NN=C2CCCn3ccnc32)nc2ccccc21	848400397	GLKVLMRIVFSYQD-UHFFFAOYSA-N	322.372	1.627	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)Cc2nc(C)cs2)[nH]1	747630463	VIPQOLXXRARIFS-UHFFFAOYSA-N	306.347	1.259	50	20	DDGD	
COCCN(C)NC(=O)c1cnc(F)c(Br)c1	848056701	FGDYCDCORBOHLY-UHFFFAOYSA-N	306.135	1.206	50	20	DDGD	
C[C@@H]1CCC[C@@H](C(=O)NNC(=O)COc2ccccc2O)C1	741687862	FXMQMQBDLWHXKV-VXGBXAGGSA-N	306.362	1.745	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CC[C@@H]2C(N)=O)c(Cl)c1	848044280	GYIJBLBTHVJLKU-DTWKUNHWSA-N	324.768	1.313	50	20	DDGD	
CN1CC[C@@H](NC(=O)NNc2ccc(Cl)cc2F)C1=O	919758106	MXUOZENBSWIJTB-SNVBAGLBSA-N	300.721	1.336	50	20	DDGD	
CCn1ncc(C=NNC(=O)[C@H](C)Oc2cccc(Cl)c2)n1	841635368	KNPOSECGDHIXFK-JTQLQIEISA-N	321.768	1.869	50	20	DDGD	
CC[C@H]1CN(CC(=O)NNC(=O)c2cccc(C)c2)[C@H](C)CO1	844390570	IGQQBZXMUJDEJB-HIFRSBDPSA-N	319.405	1.255	50	20	DDGD	
CCO[C@H](CC)C(=O)NNc1ncc(Br)cn1	848320424	RZDJLWJUYGHWRY-MRVPVSSYSA-N	303.160	1.497	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1=NO[C@H](c2ccccc2)C1	843642785	GXPVPNWHSNARHZ-SUHUHFCYSA-N	317.345	1.076	50	20	DDGD	
O=C(NCCCn1cncn1)NNc1ccc(Cl)cc1F	914009121	ZZCDVCVNHQXNFU-UHFFFAOYSA-N	312.736	1.787	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)c1ccon1	747144455	FXGMFWDNFJPMNL-UHFFFAOYSA-N	313.317	1.048	50	20	DDGD	
Cc1cc(NC(=O)NN(C)C(=O)N2CCNCC2)ccc1F	841106416	MGXQFTMCTURVPB-UHFFFAOYSA-N	309.345	1.128	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NC[C@H]2CCCCN2)ccc1F	841922811	RTLAVUQJGXZISD-LLVKDONJSA-N	324.356	1.381	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccc(F)cc1OC(F)F	841126583	FUJIRWMJUSUDMJ-UHFFFAOYSA-N	320.271	1.319	50	20	DDGD	
O=C(NN=Cc1cc(Cl)c2c(c1)OCO2)N1CCOCC1	745591127	PMMUMMSJCKGAQS-UHFFFAOYSA-N	311.725	1.444	50	20	DDGD	
CC(C)CCOc1ccc(C(=O)NNC(=O)N[C@@H](C)CN)cc1	841981638	CDCWUCNHQLBSEU-LBPRGKRZSA-N	322.409	1.403	50	20	DDGD	
O=C(NNc1ccc(F)cn1)N[C@@H]1CCN(c2ccccn2)C1	753128832	UGTXYKSUHMDBRT-GFCCVEGCSA-N	316.340	1.521	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(F)c(Cl)c1	755763917	QWVOQQONEHPIBJ-VIFPVBQESA-N	302.733	1.981	50	20	DDGD	
COc1ccc(C2(C(=O)NN(C)C(N)=O)CCC2)cc1OC	755709696	VDFHHOSGLKTKRO-UHFFFAOYSA-N	307.350	1.167	50	20	DDGD	
CCC(F)(F)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	854201038	BJUNFDPQXQRXBN-UHFFFAOYSA-N	302.277	1.510	50	20	DDGD	
CC(C)Cc1ccc(C=NNC(=O)C(=O)N2CCCC2)cc1	755889103	KOEBFMOAPXNUQQ-UHFFFAOYSA-N	301.390	1.958	50	20	DDGD	
CC(C)(COCc1ccccc1)C(=O)NNC(=O)c1cc[nH]n1	855356040	KTDFFJNBZSVMCX-UHFFFAOYSA-N	316.361	1.414	50	20	DDGD	
C[C@]1(CNC(=O)N[C@H](CCO)C2CC2)C[C@H]1Br	856954480	HSDTXAJAPSEJBB-CKYFFXLPSA-N	305.216	1.620	50	20	DDGD	
O=C(NN=Cc1cc(F)c(O)c(F)c1)C(=O)Nc1ccccn1	758387625	PPTFAWPZYVCBTC-UHFFFAOYSA-N	320.255	1.154	50	20	DDGD	
O=C(NN=C1CCC[S@@](=O)CC1)Nc1ccc(C(=O)O)cc1	853312166	KMXAGHFXNCGHEE-JOCHJYFZSA-N	323.374	1.795	50	20	DDGD	
CCNC(=O)NNC(=O)C(C)(C)c1ccc(OC)c(OC)c1	758187950	REURIJQCLXULAE-UHFFFAOYSA-N	309.366	1.332	50	20	DDGD	
Cn1cc(CNC(=O)NC[C@@]2(C)C[C@@H]2Br)cn1	856826149	GZIBYHOOTBNJEJ-GXSJLCMTSA-N	301.188	1.393	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(C#N)c(Cl)c1)N1C(=O)CCC1=O	753314066	YCJWXCKKXPNGGV-MRVPVSSYSA-N	320.736	1.192	50	20	DDGD	
COC1(C(=O)NC[C@]2(C)C[C@@H]2Br)CCOCC1	857387256	GIVVJPDBAVBNKX-ONGXEEELSA-N	306.200	1.472	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=S)N[C@@H](C)C2CC2)s1	855101584	AOQPGXZNYNTTFE-ZETCQYMHSA-N	312.464	1.921	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(F)c(SC)c(F)c1	758012250	OAXISQSXJRABRO-UHFFFAOYSA-N	305.306	1.486	50	20	DDGD	
CC(C)(C)N1CC[C@@H](NC(=O)NNc2ccc(Cl)nn2)C1	852466541	SIVONFNMYNXADR-SECBINFHSA-N	312.805	1.629	50	20	DDGD	
CN1C(=O)CC[C@@H]1CC(=O)NC[C@@]1(C)C[C@@H]1Br	857733335	JDWADPSIWVKCNQ-VDDIYKPWSA-N	303.200	1.287	50	20	DDGD	
O=C(NN=Cc1cccc(F)c1O)C(=O)Nc1ccccn1	755770288	XUUVOWFXYYWGFP-UHFFFAOYSA-N	302.265	1.015	50	20	DDGD	
CNC(=S)N(C)NC(=O)C(F)(F)c1ccc(OC)cc1	854923289	QDARJUSTSHXZGN-UHFFFAOYSA-N	303.334	1.254	50	20	DDGD	
CC(C)(C)OC(=O)Oc1ccc([N+](=O)[O-])cc1-n1cnnn1	755279365	JMVPAPQXPSYBOC-UHFFFAOYSA-N	307.266	1.884	50	20	DDGD	
CC(C)(NCC(=O)NNC(=O)c1ccccc1)c1ccccc1	750542590	PIZOHVDKXKNGEI-UHFFFAOYSA-N	311.385	1.973	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)C(F)(F)c1c(F)cccc1F	756947609	LRTBDROYTDWJQT-UHFFFAOYSA-N	319.258	1.797	50	20	DDGD	
COc1ccc(OCC(=O)NN=C2CCCn3nccc32)cc1	853264813	SKCOANAXMSSAKR-UHFFFAOYSA-N	314.345	1.585	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)N[C@@H](C1CC1)C(F)(F)F	852343510	AHIJENMQMPCSHE-VIFPVBQESA-N	320.246	1.506	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)/C=C\SC	751529745	FJDHPIQYSDQZPZ-HJWRWDBZSA-N	310.375	1.488	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@H]1Cc2cccc(O)c2C1	759456117	SPQCFAPWVQHOMM-ZDUSSCGKSA-N	311.341	1.504	50	20	DDGD	
O=C(NCCOC[C@@H]1CCOC1)NNc1ccc(Cl)cn1	852088907	PEDHAUPGPQDNIV-SNVBAGLBSA-N	314.773	1.414	50	20	DDGD	
O=C(NCc1cccnc1N1CCCC1)NNc1ccncn1	852474316	OXZREGKJFYNMAD-UHFFFAOYSA-N	313.365	1.298	50	20	DDGD	
Cc1ccccc1O[C@H](C)CNC(=O)NNC(=O)c1cn[nH]c1	858255402	ZCSWBKAMRCYJBN-LLVKDONJSA-N	317.349	1.130	50	20	DDGD	
C[C@H](N)CCNC(=O)NNc1ccc(Br)c(F)c1	857110138	PTLZWCRFKWRTCV-ZETCQYMHSA-N	319.178	1.952	50	20	DDGD	
C[C@@H](C(=O)NNC(=S)N[C@H](C)C1CC1)C(=O)OC(C)(C)C	855094886	GTYOSYVWGLAORE-DTWKUNHWSA-N	315.439	1.258	50	20	DDGD	
Cc1csc(=O)n1CCC(=O)NNc1ccc(Cl)cn1	856094529	LOTUNIMZADVQDV-UHFFFAOYSA-N	312.782	1.800	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@@H]1Br	857736882	QPRWYINPVZIAPF-VDDIYKPWSA-N	318.215	1.067	50	20	DDGD	
COC(=O)CCC(C)=NNC(=O)Nc1ccc(C(=O)O)cc1	756895318	MQKLJSVTPVBFAB-UHFFFAOYSA-N	307.306	1.835	50	20	DDGD	
Cc1nn(C)cc1C=NNC(=O)[C@@H](C)Oc1ccccc1F	755552053	NXKUFIKETGTIQP-LLVKDONJSA-N	304.325	1.785	50	20	DDGD	
CCOC(=O)[C@H](Cc1ccc(F)cc1)NNC(=O)CC(C)C	863369320	WJKCAJRSOAMNFZ-AWEZNQCLSA-N	310.369	1.967	50	20	DDGD	
O=C(NN=C1CC[C@@H]1c1ccccc1)N[C@@H]1CCS(=O)(=O)C1	769780829	SNKZVUKAHZFUON-CHWSQXEVSA-N	321.402	1.406	50	20	DDGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1n[nH]c(O)n1	761584732	MLIXFBUCPFIORT-UHFFFAOYSA-N	303.200	1.166	50	20	DDGD	
CN(C)c1ccc(CNS(=O)(=O)CC(C)(C)CCl)cn1	866477263	IOPWEOSNGDHJJA-UHFFFAOYSA-N	319.858	1.832	50	20	DDGD	
CCCN(CC)c1ccc(C(=O)NNC(=O)c2cn[nH]c2)cc1	862474449	LQUCMUCFXSHNFE-UHFFFAOYSA-N	315.377	1.721	50	20	DDGD	
CCOC[C@H]1CN(C(=O)/C(C#N)=C/c2ccc(F)cc2)CCO1	862959429	RLWOGPKNNRAWLN-SCZPIIQISA-N	318.348	1.997	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H]1CCN2CCCC[C@@H]12	866502585	ICMIABWIWFCCMX-NEPJUHHUSA-N	308.875	1.798	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1	861566798	RSPZHGKMCLFESW-ZHPDPMBESA-N	321.377	1.907	50	20	DDGD	
CC1(C)CC(=NNC(=O)[C@@H]2CCC(=O)N2)c2sccc2O1	863149826	GOBRWDCKFNQRHA-QMMMGPOBSA-N	307.375	1.408	50	20	DDGD	
CO[C@H](C)C(C)=NNC(=O)C1CCN(c2ncccn2)CC1	763172081	DRWMIJXLRGMLKZ-GFCCVEGCSA-N	305.382	1.220	50	20	DDGD	
COc1cccc([C@@H](C)CC(=O)NNC(=O)c2cn[nH]c2)c1	862472991	ZLSKMQDFRQZZCT-JTQLQIEISA-N	302.334	1.373	50	20	DDGD	
O=C(NNC(=O)C1CC(c2ccc(F)cc2)C1)c1cn[nH]c1	862469587	PDIVRRBMAHSJSJ-UHFFFAOYSA-N	302.309	1.504	50	20	DDGD	
C[C@@H](OC1CCCCC1)C(=O)NNC(=O)c1ccccc1O	1116070727	AMVNDCOKTJSLNT-LLVKDONJSA-N	306.362	1.891	50	20	DDGD	
Cn1ccnc(NNC(=O)c2ccc(F)c(Cl)c2F)c1=O	761097633	WLRNXJAXTPRMIN-UHFFFAOYSA-N	314.679	1.469	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNC(=S)Nc1cccc(C)c1	873776283	BUGUHNCKJPTLCV-NSHDSACASA-N	323.418	1.902	50	20	DDGD	
COC(OC)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	874465799	TYRNZPJWKKTUMJ-UHFFFAOYSA-N	312.713	1.452	50	20	DDGD	
COCc1ccccc1CNC(=O)NN=c1cc[nH]c(C)c1	875066822	ZJOXCUBZVYSGSD-UHFFFAOYSA-N	300.362	1.785	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)Nc2ccc(C)nc2C)n1	773481563	UIEXOYCYUURSFO-UHFFFAOYSA-N	314.349	1.187	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NC/C=C\C1CC1	1117864839	ZHJNFJYGZGAZJG-QUCGXOGASA-N	321.352	1.890	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)N[C@@H]2CC23CCC3)cc1	873256824	OURZWBPYRAHGDD-CQSZACIVSA-N	317.389	1.901	50	20	DDGD	
CCN(C(=O)NC[C@]1(C)C[C@@H]1Br)[C@H]1CCNC1	1119478149	SYOFRNOUDLTWED-NHCYSSNCSA-N	304.232	1.553	50	20	DDGD	
CC[C@]1(C(=O)NNc2nc(C(F)(F)F)cs2)CCNC1=O	879126293	CPHSZWYHRCVJLQ-JTQLQIEISA-N	322.312	1.521	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)OC[C@@H](C)CBr)C1	770405242	ZEXDBPBKSGILPT-VHSXEESVSA-N	306.200	1.819	50	20	DDGD	
COC1(CNC(=O)NNC(=O)CC(F)(F)F)CCCCC1	776188968	VEIIFRUARVDFLI-UHFFFAOYSA-N	311.304	1.619	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@@H](F)Cc1ccccc1	777990721	OJABDWBDGBJKDB-AWEZNQCLSA-N	301.321	1.352	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNc1ccnc(Br)c1	771551147	ABQKJMMOAIEJEZ-APPZFPTMSA-N	300.156	1.712	50	20	DDGD	
CSc1cccc(C(=O)NNC(=O)C2CCC2)c1[N+](=O)[O-]	777141777	RWDYXUJREFBNBE-UHFFFAOYSA-N	309.347	1.878	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NC[C@@H]2C=CCC2)c1	883779298	UHQXULIVYMNLGE-GFCCVEGCSA-N	302.378	1.663	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)CC3=CCCCC3)nc21	770984753	UNYPSJVCHWKEOF-UHFFFAOYSA-N	302.338	1.403	50	20	DDGD	
CCC(=O)c1ccc(NC(=O)NNC(=O)C2CCOCC2)cc1	880171425	ZWGQIXUDTZPEAA-UHFFFAOYSA-N	319.361	1.859	50	20	DDGD	
CC[C@H]1CCCCN1CCNC(=O)NNc1ccc(C#N)cn1	888312903	QJPRAEJZURUKFC-AWEZNQCLSA-N	316.409	1.844	50	20	DDGD	
O=C(COC/C=C\c1ccccc1)NNC(=O)C1CCOCC1	883066124	LDPJAILSMOJRSF-DAXSKMNVSA-N	318.373	1.290	50	20	DDGD	
O=C(CCCCN1CCOCC1)NNc1cc(F)ccc1F	885143185	WUDQVYNDFMBFDJ-UHFFFAOYSA-N	313.348	1.910	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(C(F)(F)F)nc1O	887140861	VMLUAQGFLVBQTG-UHFFFAOYSA-N	315.251	1.371	50	20	DDGD	
C=CC[C@H](C(=O)NNC(=O)C1CCOCC1)c1ccccc1	883068344	QMKMCIJYYXJHRS-HNNXBMFYSA-N	302.374	1.920	50	20	DDGD	
COc1cccc(NNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)n1	781024119	TTXICPMLOKNRSY-UHFFFAOYSA-N	320.309	1.073	50	20	DDGD	
NC(=O)CN1CCC[C@@H](NC(=O)c2cccc(CCl)c2)C1	1120605792	VRGDHNYCHKCIBP-CYBMUJFWSA-N	309.797	1.105	50	20	DDGD	
CSc1cccc(C)c1NC(=O)C(=O)NNc1cccnn1	784858904	YIRVUXSKTISHHQ-UHFFFAOYSA-N	317.374	1.589	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNc2ncc(F)cn2)cc1C	784950205	PWEOJVSNKRQLPY-UHFFFAOYSA-N	317.324	1.568	50	20	DDGD	
COCCN(CC(=O)OC)C(=O)[C@H](Br)C(C)(C)C	781086427	GSMRZHDWPAJFGN-JTQLQIEISA-N	324.215	1.444	50	20	DDGD	
COc1cccc(NNC(=O)Nc2nnc(C3CC3)s2)n1	780012510	GMZKSCIIJYCNNP-UHFFFAOYSA-N	306.351	1.968	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)Cc2c[nH]c3ccccc23)CO1	784142154	HGOGSQBKVKYCMK-CMPLNLGQSA-N	301.346	1.283	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc2ccc(O)cc2c1O	896292790	DGICBXBXMLIHOP-UHFFFAOYSA-N	300.314	1.812	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](C)N2CCSCC2)c1	780790951	CZCDZHYOEFFEIS-LLVKDONJSA-N	323.418	1.354	50	20	DDGD	
Cc1onc(-c2cccnc2)c1C(=O)NNC(=O)c1ccccn1	794604994	NZFINERDWITSHS-UHFFFAOYSA-N	323.312	1.515	50	20	DDGD	
COCCOC1CCC(C(=O)NNC(=O)C2CCCC2)CC1	793030126	YNACNVRLMSEBID-UHFFFAOYSA-N	312.410	1.546	50	20	DDGD	
COc1cc(CC(=O)NNc2ccnc(F)c2)cc(OC)c1O	790024003	VPSAWMKGGUYOBO-UHFFFAOYSA-N	321.308	1.629	50	20	DDGD	
COc1cccc(F)c1C(C)=NNC(=O)N1CCN(C)CC1	790180559	BFBRNMIPEMHESM-UHFFFAOYSA-N	308.357	1.515	50	20	DDGD	
CO[C@@H](C)CN(C)CC(=O)NNC(=O)c1cccc(Cl)c1	796642995	VQEIHGBWNWJEHQ-JTQLQIEISA-N	313.785	1.068	50	20	DDGD	
CC(C)(C)n1cc(C=NNC(=O)CCc2ccccc2O)nn1	790162426	XCEYGWAHLFDAOM-UHFFFAOYSA-N	315.377	1.822	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1F)c1csc(O)n1	792214735	QSVXIRNZJDTEJD-UHFFFAOYSA-N	315.713	1.716	50	20	DDGD	
CC(=NNC(=O)Cn1c(C)nc2ccccc21)c1cc(C)n(C)n1	799869210	MMMJPWNHVLLRKS-UHFFFAOYSA-N	324.388	1.927	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCCc3cc(C#N)ccc32)CC1	790173202	FUIWVFCFFDKONJ-UHFFFAOYSA-N	311.389	1.556	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNc1ccc(C(C)(C)C)nn1	1324414669	WXXHAZZBRZQVLU-JTQLQIEISA-N	308.382	1.807	50	20	DDGD	
COc1ccc(NNC(=O)c2c(C)nc(O)nc2SC)nc1	1325959111	CHEDXJVLDKTCHF-UHFFFAOYSA-N	321.362	1.373	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnn(C2CCCCC2)c1	1329540561	VQISBRUVGXNVGP-FZMZJTMJSA-N	320.393	1.574	50	20	DDGD	
CCCc1ccc(NC(=O)NNC(=O)C2CCNCC2)cc1	1328676713	DTBUMDQLKMMQHR-UHFFFAOYSA-N	304.394	1.791	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cccc(N2CCNC2=O)c1	1321530067	CPQXHQGFYDMUQW-UHFFFAOYSA-N	318.377	1.413	50	20	DDGD	
Cc1nc([C@@H](C)NC(=O)NNC(=O)Cc2ccccc2F)no1	1324579192	XZLKVYXGEPGMIV-MRVPVSSYSA-N	321.312	1.151	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)C12CCCN1CCC2	1331821201	LUROXKCJXHRBLE-UHFFFAOYSA-N	301.259	1.433	50	20	DDGD	
Cc1cc(O)nc(CNC(=O)c2c(C)nn(CCCl)c2C)n1	1333920684	IHXKMBTYIVARDV-UHFFFAOYSA-N	323.784	1.473	50	20	DDGD	
CCc1ccc(C(=O)NNC(=S)NC(C)C)cc1[N+](=O)[O-]	1330403963	FTRSJHHLECASNV-UHFFFAOYSA-N	310.379	1.675	50	20	DDGD	
O=C(NN=C1CC(C(F)F)C1)C(=O)NN=C1CC(C(F)F)C1	1254955881	PVGMQEFJWINGJR-UHFFFAOYSA-N	322.262	1.281	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1NC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1331086072	QMMBPODKQYSUJZ-WJZNIJOASA-N	317.227	1.437	50	20	DDGD	
Cc1ccc(NNC(=O)CC2(O)CCOCC2)cc1C(=O)O	1600462674	NDSHXTBWOBRPTP-UHFFFAOYSA-N	308.334	1.068	50	20	DDGD	
O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)C(F)=C1CCC1	1606853995	MVJLBWGHRRHXKT-UHFFFAOYSA-N	316.296	1.035	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2[C@@H]3CCCO[C@@H]32)cc1Cl	1602384772	KOPGKZIPJKNPCN-WCQGTBRESA-N	310.737	1.906	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H]1CCC[C@@H]1C(=O)O	1608170098	RJZVJVVEKSFQED-PMGKTQQESA-N	300.314	1.669	50	20	DDGD	
O=C(O)c1cc2n(n1)CC/C(=C\c1cnn(CCCl)c1)C2=O	1602306179	LUMITMXGAUTSPR-BJMVGYQFSA-N	320.736	1.687	50	20	DDGD	
CC(Cc1ccc(Br)c(F)c1)=NNC(=O)C(=O)O	1609750778	LJPBPWVSJYOLOK-UHFFFAOYSA-N	317.114	1.707	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1coc(-c2nn[nH]n2)c1	1606862047	PSUXKQUWUROZBN-UHFFFAOYSA-N	315.249	1.125	50	20	DDGD	
N#CC1=CCN(C(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)CC1	1608178023	GDHKNTGEWKOXBK-UHFFFAOYSA-N	301.258	1.589	50	20	DDGD	
CNC(=O)[C@@H]1CN(C[C@@H]2[C@H](C)[C@@H]2Cl)C[C@@H]1c1cnn(C)c1	1550632273	MQVWNBIIQVSCLW-RBQFQAMWSA-N	310.829	1.055	50	20	DDGD	
CC1(C)NCC[C@H]1NS(=O)(=O)c1ccc(CCl)cc1	1576489665	SKQUNQLMRWMKSV-GFCCVEGCSA-N	302.827	1.844	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H](Cc1ccc2cc[nH]c2c1)C(=O)NN	1575208844	ULMVZABXALWMSX-CYBMUJFWSA-N	318.377	1.594	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCNC1)c1cc2sccc2s1	1580732402	BURXCFNAZHZAJQ-MRVPVSSYSA-N	309.416	1.723	50	20	DDGD	
C[C@H](C(=O)N(c1nc(CC(=O)O)cs1)N(C)C)C(C)(F)F	1589342694	QQTUXDWRJXRFSB-SSDOTTSWSA-N	321.349	1.871	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)[C@H]1[C@H]2CCNC[C@H]21	1580713234	XAGHKLCUCCOCQK-XQQFMLRXSA-N	322.796	1.026	50	20	DDGD	
O=C(c1cocn1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843362906	KGFMPGCHLLOPPV-VIFPVBQESA-N	301.705	1.026	50	20	DDGD	
O=C(/C=C/[C@@H]1CCCO1)NNc1ccc(-c2nn[nH]n2)cc1	1592796408	UVLUSWONJRSJMK-GUOLPTJISA-N	300.322	1.045	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(C(=O)O)c(F)c2)n(C)n1	1597431665	SGUDQDJCRLPJKJ-UHFFFAOYSA-N	306.297	1.577	50	20	DDGD	
CSSCCNC(=O)N1CC[C@@]2(CC(C(=O)O)=NO2)C1	1599804103	GXMITLDQZWFCSW-LLVKDONJSA-N	319.408	1.013	50	20	DDGD	
CC1(C)C[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCO1	1590078655	SDMKKNUZAMNHDQ-NSHDSACASA-N	316.365	1.515	50	20	DDGD	
CCc1ccc(C(=O)NN=C2CCN(CCC(=O)O)CC2)cc1	1597500915	CZCQEPGROGXKHA-UHFFFAOYSA-N	317.389	1.905	50	20	DDGD	
CCn1ncnc1CNC(=O)NNc1cccc(C(=O)O)c1C	1597969916	YZGKYGFAZWUULC-UHFFFAOYSA-N	318.337	1.131	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1c[nH]c2c(C(=O)O)cccc12	1776043127	MMGGPFLFIPWSFP-UHFFFAOYSA-N	322.324	1.954	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C/c1cnc2ccc(C(=O)O)cn12	1776129702	SMLNYRCSUUBQAR-KPKJPENVSA-N	312.329	1.856	50	20	DDGD	
CCC(=O)NNC(=O)COc1ccc(Br)cc1	5500971	UDXYNWPJMWKGPI-UHFFFAOYSA-N	301.140	1.385	50	20	DDGD	
Cc1nnc(NNC(=O)c2cc3c(s2)CC[C@H](C)C3)nc1O	11334979	WAJFLFZUCPHMKU-ZETCQYMHSA-N	319.390	1.829	50	20	DDGD	
CCn1ccnc1SCC(=O)NNC(=O)c1ccc(F)cc1	12646335	OBRSAQNWAIFFPW-UHFFFAOYSA-N	322.365	1.595	50	20	DDGD	
Cc1cc(OCC(=O)NNC(=O)c2ccccn2)ccc1Cl	17328967	FUWYIDVKZFDFOI-UHFFFAOYSA-N	319.748	1.883	50	20	DDGD	
CNS(=O)(=O)c1cc(C(=O)NNc2ccc(F)cc2)co1	162438267	LATXCHAKCQYCHV-UHFFFAOYSA-N	313.310	1.084	50	20	DDGD	
CN(C)c1cc(C(=O)NNc2ncccc2[N+](=O)[O-])ccn1	152748569	OTMROJKNWQHHNE-UHFFFAOYSA-N	302.294	1.208	50	20	DDGD	
CCC[C@@H](C)CC(=O)NNc1nccc(N2CCOCC2)n1	155561554	ZRCUHDLYIZAVHP-GFCCVEGCSA-N	307.398	1.583	50	20	DDGD	
CC(C)CS(=O)(=O)CCC(=O)NNc1cccc(F)c1	154192947	SGEBZNAYYDEJMU-UHFFFAOYSA-N	302.371	1.730	50	20	DDGD	
COc1ccc(NNC(=O)c2cnc(C(F)(F)F)nc2)nc1	159175130	BUAGGWGJSRIDRV-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
CSCCCNC(=S)NNC(=O)c1ccccc1F	7526869	XZZPAFVSRKVJNN-UHFFFAOYSA-N	301.412	1.688	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=S)NC(C)(C)C)c1	8301833	GNTWYSLPBPKYKY-UHFFFAOYSA-N	309.435	1.976	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCCc2ccccn2)nc1	179798322	BYXVDIAMHCLTKY-UHFFFAOYSA-N	314.345	1.729	50	20	DDGD	
CCNC(=O)NNC(=O)c1nn(-c2ccccc2)cc1OCC	103074972	NKMUMYUBQTUWIN-UHFFFAOYSA-N	317.349	1.235	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(-c2nc(C)no2)cc1	68266388	FZEZRNQHVACDCL-UHFFFAOYSA-N	317.349	1.789	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)c2cccc(C#N)c2)s1	103425574	RURJWQGFQINIKM-UHFFFAOYSA-N	321.383	1.552	50	20	DDGD	
COC[C@@H](NC(=O)NNc1ccc(C)nn1)c1ccc(C)o1	175678143	KHNSLHSEHYVQOF-LLVKDONJSA-N	305.338	1.700	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)c2ccc(C#N)cc2)s1	60838469	BECJPYJSUQRAPT-UHFFFAOYSA-N	321.383	1.552	50	20	DDGD	
CCOC(=O)[C@H](C)CNC(=O)c1c(C)nn(CCCl)c1C	175196719	LCVKSWPWBFPTDL-SECBINFHSA-N	315.801	1.668	50	20	DDGD	
CC[C@H](F)C(=O)NNC(=O)c1cc(-c2ccc(C)cc2)[nH]n1	1346711091	IIVILRATSYTBRE-NSHDSACASA-N	304.325	1.894	50	20	DDGD	
Cc1[nH]c(-c2ccccn2)n/c(=N\NC(=O)c2ccon2)c1C	114892464	DYQZWDQFEIWXLN-UHFFFAOYSA-N	310.317	1.322	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cccc(Cl)n2)nc1	179784112	LBISSEADMQHYQA-UHFFFAOYSA-N	306.709	1.674	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1cnccn1)N1C[C@H](C)O[C@H](C)C1	114878996	LISUDUHFBFZLMI-SCRDCRAPSA-N	307.398	1.054	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cccn2C)c(C)c1	302718741	KKBMXNWKZJKPEP-UHFFFAOYSA-N	301.346	1.482	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCOC1)c1cc2c(s1)CCCCC2	66896817	LEMMUVXFEOXVQC-LLVKDONJSA-N	308.403	1.815	50	20	DDGD	
C[C@H]1CCCC[C@H]1CCNC(=O)NNC(=O)C1CCNCC1	1261375287	KPCUKSKXKXMHHQ-STQMWFEESA-N	310.442	1.533	50	20	DDGD	
COc1cccc(CNC(=O)NNc2cncc(Cl)n2)c1	31042407	BYXSEYOHUADAQG-UHFFFAOYSA-N	307.741	1.965	50	20	DDGD	
CCN(CC)CC(=O)NNC(=O)COc1cc(C)ccc1C	63639094	BHXREBSIFFUZHQ-UHFFFAOYSA-N	307.394	1.171	50	20	DDGD	
O=C(NNc1ccccn1)c1ccnc(O[C@@H]2CCOC2)c1	184049693	MWMZVGJUFCYJJK-GFCCVEGCSA-N	300.318	1.401	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1cc([N+](=O)[O-])cnc1N	184351112	MIBQIMCTOSOKAT-UHFFFAOYSA-N	305.269	1.776	50	20	DDGD	
C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)CN(C)C	75653014	JGTIKFIPQKHDRP-LBPRGKRZSA-N	321.421	1.460	50	20	DDGD	
CCc1c(C(=O)NNc2cccnn2)cnn1-c1ccccc1	77030983	VCJRTYYUKNOLCU-UHFFFAOYSA-N	308.345	1.982	50	20	DDGD	
Cc1cccc(NNC(=O)Cn2ncc3ccccc3c2=O)c1	74087634	KRHSSNFLRHNTNM-UHFFFAOYSA-N	308.341	1.848	50	20	DDGD	
Cc1ccc(C)c(CC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c1	76710532	LJNDGHWKOVEEAC-HNNXBMFYSA-N	324.446	1.338	50	20	DDGD	
COc1ccnc(NNC(=O)c2noc3c2CCCCC3)n1	127615147	BRYVEAIHPHJTOI-UHFFFAOYSA-N	303.322	1.499	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)N2CCc3cccc(C)c32)nn1	123607192	WRBJPMDUXBWGQE-UHFFFAOYSA-N	311.345	1.126	50	20	DDGD	
CC[C@H](C)N(C)CCNC(=O)NNc1nc2ccccn2n1	188409576	VMLFPTATAZTRBU-NSHDSACASA-N	305.386	1.086	50	20	DDGD	
CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)NNc2cccnn2)C1	78354808	PGUYOWIKMNUUNX-FLCAKIMKSA-N	311.411	1.183	50	20	DDGD	
COC(=O)c1coc(C(=O)NNc2nnc(C3CC3)s2)c1	184465905	ASLBTQDZTKANIV-UHFFFAOYSA-N	308.319	1.552	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1cc([N+](=O)[O-])ccc1OC	184819276	RGZUEVYYDZQAGK-PKNBQFBNSA-N	305.290	1.664	50	20	DDGD	
Cc1cn(-c2ccccc2)nc1C(=O)NNC(=O)c1ccc[nH]1	183994585	PUPZAVUWKGORCW-UHFFFAOYSA-N	309.329	1.584	50	20	DDGD	
CC(C)CN1N=C(C(=O)NNc2cccnc2Cl)CCC1=O	139484286	DNVZXEZBIRIUKM-UHFFFAOYSA-N	323.784	1.813	50	20	DDGD	
O=C(NNc1ccccc1F)C(=O)Nc1ccc2c(c1)CCO2	187580406	XZAWJASJJVZSHD-UHFFFAOYSA-N	315.304	1.842	50	20	DDGD	
CS[C@@H](C)CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	130006494	MQNHLTPDIFGHKX-QWGQVVDNSA-N	302.403	1.980	50	20	DDGD	
CCCNC(=O)NNC(=O)CCc1nc(C2CCCC2)no1	135052043	WQSUWGNWDIMBDB-UHFFFAOYSA-N	309.370	1.400	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNc1ncccn1)Cc1ccccc1	49795062	MZLGWNYPNPWNPQ-CQSZACIVSA-N	314.393	1.276	50	20	DDGD	
CN(C)C(=O)CCCC(=O)NNc1ncnc2ccsc12	132440977	GBAIEFJCKURJGL-UHFFFAOYSA-N	307.379	1.393	50	20	DDGD	
C[C@@H](Oc1cccc(F)c1)C(=O)NNC(=O)Cc1ccncc1	81026546	BECVJHAZQJWNJS-LLVKDONJSA-N	317.320	1.378	50	20	DDGD	
Cn1c(=O)[nH]c2ccc(C(=O)NNC(=O)OC(C)(C)C)cc21	131473486	MQFCGGFCEKZZOW-UHFFFAOYSA-N	306.322	1.036	50	20	DDGD	
CSC1(C(=O)NNC(=O)c2cc(-c3cccs3)n[nH]2)CC1	190924004	KBLJCOOTKDYDMJ-UHFFFAOYSA-N	322.415	1.795	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(F)cc1Cl	42901363	DMNAWRPQRFPYIX-UHFFFAOYSA-N	303.721	1.460	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@H]1CC(c2cccnc2)=NO1	192278902	XZAFCFIVIRPJIN-GFCCVEGCSA-N	304.350	1.158	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)Cc1c(Cl)cccc1Cl	190073687	HLPYEJHMYQMXLJ-UHFFFAOYSA-N	305.161	1.454	50	20	DDGD	
CCOCCN(C)CC(=O)NNC(=O)c1ccccc1Cl	93312237	DVQIDVACGXIRQZ-UHFFFAOYSA-N	313.785	1.069	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCc2cccn2C)cc1	266600276	ZOOQTRFNQRKUHQ-UHFFFAOYSA-N	300.362	1.732	50	20	DDGD	
CC(C)C[C@@H](C)CC(=O)NNC(=O)COc1ccccc1O	264591915	WIBLMZCFIDGPFI-GFCCVEGCSA-N	308.378	1.991	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H]2CCCN2C2CC2)cc1	279692566	IHBHUGDHIHALRS-OAHLLOKOSA-N	301.390	1.637	50	20	DDGD	
CCc1cc(Br)ccc1NNC(=O)CNC(C)=O	273110938	BBMHKFQNJXCSAO-UHFFFAOYSA-N	314.183	1.591	50	20	DDGD	
CCCC(=O)N1CSC[C@H]1C(=O)NNc1ccc(OC)cn1	275560567	MSQDAYAYWJRFSM-NSHDSACASA-N	324.406	1.235	50	20	DDGD	
Cc1nc(Br)ccc1NC(=O)NNC(=O)C1CC1	274139215	QRCTULROWZCKGS-UHFFFAOYSA-N	313.155	1.715	50	20	DDGD	
CN(C(=O)CN1CC=C(C#N)CC1)c1ccc([N+](=O)[O-])cc1	272661821	OVGFWZVSXXBNQQ-UHFFFAOYSA-N	300.318	1.713	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccccc1SC	271297599	QGIZDMPQVUUDHJ-UHFFFAOYSA-N	315.489	1.880	50	20	DDGD	
CSSCCNC(=O)N1C[C@@H](C)O[C@]2(CCCOC2)C1	375218090	KAQFXTXRJIXCTD-DGCLKSJQSA-N	320.480	1.977	50	20	DDGD	
O=C(NNc1cnccn1)c1ccccc1CN1CCOCC1	274778766	WWOQFGQAKXODKF-UHFFFAOYSA-N	313.361	1.066	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1C1CC1)c1cccc(Cl)c1	279803463	WINSXEBPIHTELK-ZDUSSCGKSA-N	307.781	1.728	50	20	DDGD	
CC(C)(C)NS(=O)(=O)c1cc(C(=O)NN)ccc1Cl	270202509	GRADMLXCNUFGRO-UHFFFAOYSA-N	305.787	1.020	50	20	DDGD	
Cc1sc(Br)c(C(=O)NN(C)C(N)=O)c1C	281989284	PJRMJCXMKQLUFY-UHFFFAOYSA-N	306.185	1.783	50	20	DDGD	
O=C(NNC(=O)c1cc2c(cn1)OCCC2)NC1CCCCC1	371704009	RNFSQMWAWVKOSW-UHFFFAOYSA-N	318.377	1.683	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H]2CCCCN2C2CCCC2)n1	373018054	IRCPNSCBDBVBND-CYBMUJFWSA-N	319.409	1.725	50	20	DDGD	
C=CC[C@@H](CC)NC(=O)NNC(=O)COc1ccc(C#N)cc1	281234844	FAZYDDXZEDOYFL-CYBMUJFWSA-N	316.361	1.622	50	20	DDGD	
C=CCNC(=S)NNC(=O)C(C)(C)Oc1ccc(F)cc1	281363903	WHNVDYRPVMZSRV-UHFFFAOYSA-N	311.382	1.664	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(OC2CCOCC2)cc1	286206957	DVNHLVJAPWWGMR-UHFFFAOYSA-N	308.334	1.587	50	20	DDGD	
Cc1nc(C)c(CCC(=O)NNc2ncccc2F)c(O)n1	289424767	SKRAJTYEMHLFCV-UHFFFAOYSA-N	305.313	1.409	50	20	DDGD	
O=C(CSCc1ccccn1)NNC(=O)NCC(F)(F)F	280895995	DJQRREZWFQIDHJ-UHFFFAOYSA-N	322.312	1.208	50	20	DDGD	
N#Cc1c[nH]c(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)c1	802099258	GEJNFVLGUJLCHL-UHFFFAOYSA-N	313.273	1.082	50	20	DDGD	
Cc1c(C(=O)NNC(=O)N=c2cc[nH]cc2)cnn1C(C)(C)C	802027849	YWCXSGYDZIUULI-UHFFFAOYSA-N	316.365	1.230	50	20	DDGD	
CSSCCNc1ccc(C(C)=O)cc1S(N)(=O)=O	804700173	RLVHGUMVGRYLAO-UHFFFAOYSA-N	320.461	1.960	50	20	DDGD	
O=C(NCC1=CCCOC1)NNC(=O)c1cc2c(s1)CCC2	807594067	BTJYDGVQZFDJJI-UHFFFAOYSA-N	321.402	1.528	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1cccc(NC(C)=O)c1)C1CC1	297585942	UOLRFFUQYXHMLU-AWEZNQCLSA-N	306.366	1.696	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NNc1nccnc1C(C)C	803225933	GFEWYPFAIBTADS-GFCCVEGCSA-N	305.382	1.444	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)CCc2ccc(N(C)C)cc2)O1	293773576	AXPVIFFFNSSEDR-WFASDCNBSA-N	319.405	1.400	50	20	DDGD	
CC(C)(C)c1nc(C(=O)NNC(=O)[C@@H]2CCCCO2)cs1	295628709	SHDLSOGZIFLGDZ-JTQLQIEISA-N	311.407	1.771	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](O)C(C)C)c2ccccc2n1	803338818	QPCBVFVVOYCKAI-CQSZACIVSA-N	301.346	1.321	50	20	DDGD	
O=C(CCn1cncn1)NNC(=O)Nc1ccc(Cl)cc1	802017068	XHFCIJITMUKVFL-UHFFFAOYSA-N	308.729	1.175	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@](C)(OC)C2CC2)c1	292441569	VJJJWJKTWBPRNX-INIZCTEOSA-N	321.377	1.914	50	20	DDGD	
CC(=O)c1cc(NC(=O)NNC(=O)c2cnn(C)c2)ccc1F	806570746	JSDFURRIDHMHKK-UHFFFAOYSA-N	319.296	1.228	50	20	DDGD	
COCCOCc1ccc(C=NNC(=O)c2c[nH]nc2C)cc1	807972850	IIZFUEINBNQKAT-UHFFFAOYSA-N	316.361	1.645	50	20	DDGD	
Cn1ccc2ccc(NC(=O)NNC(=O)[C@H]3CCCCO3)cc21	296820753	JOUCVNXHBYVCFI-CQSZACIVSA-N	316.361	1.900	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(C)cc1Br	297042069	JOCCOMMSDPEHLN-UHFFFAOYSA-N	301.184	1.981	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccnc(C(F)(F)F)c1	809671312	ZKTUPWLGGNIWMB-UHFFFAOYSA-N	313.239	1.207	50	20	DDGD	
C[C@@H]1CCCN(c2cc(C(=O)NNC(=O)N(C)C)ccn2)C1	291469225	JCYLGMFERDQLBX-LLVKDONJSA-N	305.382	1.234	50	20	DDGD	
CNC(=O)NCCC(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	296176870	SAQRDBCGNXUNOX-UHFFFAOYSA-N	315.717	1.010	50	20	DDGD	
CC(=O)N[C@@H]1CCN(/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)C1	817280419	FMALRHMYRSTFLF-IUSDJGRYSA-N	300.318	1.670	50	20	DDGD	
Cn1ccc(C=NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)n1	814878285	WBMQUMVOOBAIRL-UHFFFAOYSA-N	312.308	1.713	50	20	DDGD	
CC(=NNC(=O)c1c(C)nc2ccccn12)c1ccc(N)nc1	814718146	KVQQFGXXXLBVIW-UHFFFAOYSA-N	308.345	1.774	50	20	DDGD	
N#Cc1c(F)ccc(C=NNC(=O)Cc2cc[nH]n2)c1Cl	814955869	AZVVQRRTKFTXOB-UHFFFAOYSA-N	305.700	1.767	50	20	DDGD	
CC(C)(C(=O)NN=C1CCN(CCO)CC1)c1ccccc1	819808083	RCHAHXFQQLBYTD-UHFFFAOYSA-N	303.406	1.525	50	20	DDGD	
CC[C@H](Cc1ccccc1C)C(=O)NNc1nccn(C)c1=O	819886364	USPBFPYRLXUPJH-CYBMUJFWSA-N	314.389	1.801	50	20	DDGD	
COc1ccc(NCC(=O)NN=C2CCC(C(=O)O)CC2)cc1	814710756	WZFNWWWTIZIXAQ-UHFFFAOYSA-N	319.361	1.854	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)NCCc1cccs1)C1CC1	813423860	BADBHVSCACDCID-CQSZACIVSA-N	311.407	1.436	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)C(=O)NCCCc1ccccc1	819847200	GLCIZLHKVYXYJX-UHFFFAOYSA-N	317.216	1.998	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)C[C@@H]2CCC(=O)N2)c(OC)c1	811641794	QQEKUIZDAGTZRX-NSHDSACASA-N	319.361	1.478	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)N=c2cc[nH]cc2)o1	816595773	AIMPDWDBYFGXQL-UHFFFAOYSA-N	303.322	1.219	50	20	DDGD	
Cc1ccc2nc(C(=O)NNC(=O)Cc3cc[nH]n3)ccc2c1	815475826	ZZGKJOTZAMVHSL-UHFFFAOYSA-N	309.329	1.270	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1c[nH]c(C(F)(F)F)c1	816595821	BQDQIILQZWNGOR-UHFFFAOYSA-N	313.239	1.317	50	20	DDGD	
C[C@H]1CC(CCNC(=O)NNc2ncncc2F)C[C@H](C)O1	814330414	HCLSUPNQBGNUML-UWVGGRQHSA-N	311.361	1.836	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1ccc(C)c(C)c1O	728156964	PKCXTMKCJLEVPA-UHFFFAOYSA-N	303.362	1.472	50	20	DDGD	
COC[C@@H](C)CNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	728958544	PVRISVVHMFEOEV-GVMDUPDNSA-N	323.437	1.816	50	20	DDGD	
Cc1ccc(C2CC(=NNC(=O)[C@@H]3CCS(=O)(=O)C3)C2)cc1	729816167	GEBABDHDRGFCSO-KWCCSABGSA-N	320.414	1.779	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(Br)ccc1F	823988975	YULQMQOAAXMPQE-SSDOTTSWSA-N	305.147	1.546	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NNC(=O)C(C)C	496145486	FVNWRRMDEYWZRA-LLVKDONJSA-N	315.414	1.825	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNc1nc2ccccc2[nH]1)C(C)C	825213570	AQYPUCCKNVCDBF-GFCCVEGCSA-N	304.350	1.841	50	20	DDGD	
C[C@H](CNC(=O)OC(C)(C)C)C(=O)NNC(=O)CC(C)(C)C	495683456	AKYRFDPLXPINIM-SNVBAGLBSA-N	315.414	1.731	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)COc1ccc(Cl)cc1	491737275	VYMPWTQAOBQYNU-UHFFFAOYSA-N	316.748	1.699	50	20	DDGD	
COC(=O)C(=O)NN=C1CC(C)(C)Oc2cc(OC)ccc21	1347936413	YFHJXMBQPLHBMX-UHFFFAOYSA-N	306.318	1.250	50	20	DDGD	
CN(C)CCCCC(=O)NNc1ccc(-c2nn[nH]n2)cc1	825860577	RZKCNZRNVJLKOF-UHFFFAOYSA-N	303.370	1.042	50	20	DDGD	
Cc1nn(C)cc1/C=C(\C#N)C(=O)c1cccc(-c2nn[nH]n2)c1	826334254	NXGPYUSFTYLQPW-NTUHNPAUSA-N	319.328	1.699	50	20	DDGD	
C[C@H](O)C[C@H]1CCCCCN1C(=O)/C(C#N)=C\c1cnn(C)c1	491158349	DYEHQFFHWKBYJF-ORUOVYNKSA-N	316.405	1.869	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNc2ccc(C(F)(F)F)cn2)CCN1C	828822548	LJOBFPAYGNHBJJ-PSASIEDQSA-N	302.300	1.884	50	20	DDGD	
O=C(NN=Cc1cnc(CC(F)(F)F)s1)N1CCOCC1	901179319	GLAURQFKRJGCNW-UHFFFAOYSA-N	322.312	1.624	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@H]1CCCN(CC(F)(F)F)C1	820523895	YSVZPBVNHGCVSH-ZGSOTFDTSA-N	319.327	1.821	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C	491614419	AFGDBJAKKQDCPK-ZJUUUORDSA-N	314.386	1.030	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCc1nnnn1CC1CC1	491177354	WAWCHKFTYYUFFF-NTUHNPAUSA-N	324.344	1.012	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1cccc2c1OCO2	494623902	HOROTLKESYNXEZ-UHFFFAOYSA-N	321.333	1.390	50	20	DDGD	
Cc1ccccc1[C@H](NC(=O)c1ccc(B(O)O)cc1)C1CC1	584946139	YDNWFGFJWJXKQF-QGZVFWFLSA-N	309.174	1.556	50	20	DDGD	
CCCN(NC(=O)[C@H](CC(C)C)C(N)=O)C(=O)OC(C)(C)C	497028014	VGDKRACHWLOIGS-LLVKDONJSA-N	315.414	1.812	50	20	DDGD	
CC(C)(C)C[C@H](NCc1ccc(B(O)O)cc1)C(F)(F)F	585033960	LCGCIKMKCSJDNG-LBPRGKRZSA-N	303.133	1.823	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@]2(C)C[C@@H]2Br)n1	907892028	JXNOXDFDYUACEP-JOYOIKCWSA-N	312.167	1.325	50	20	DDGD	
C[C@H]1N(C(=O)c2cccc(B(O)O)c2)c2ccccc2C1(C)C	585006436	VXQRDPVUVDOKIH-GFCCVEGCSA-N	309.174	1.693	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)c1c(F)cccc1F	732198540	WCSWFQVNBXWFLR-SNVBAGLBSA-N	313.348	1.983	50	20	DDGD	
CCOc1ccc(CNCc2ccc(B(O)O)cc2)cc1Cl	585042206	LFQFPUWYZPZKQE-UHFFFAOYSA-N	319.597	1.708	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNc1ccc(C(=O)OC)cc1F	837207782	ZZKBUGINEGBDBC-ZJUUUORDSA-N	312.341	1.974	50	20	DDGD	
CN(C(=O)c1ccc(B(O)O)c(F)c1)[C@@H]1CCC[C@@H]1C(C)(C)C	585001466	XRIHXLAQCHXRBS-SWLSCSKDSA-N	321.201	1.792	50	20	DDGD	
C[C@@]1(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)CCCCO1	837607360	RDMPWXHIMKBCIX-INIZCTEOSA-N	301.346	1.930	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCc2cnc(C)o2)c1	838757809	KBGNIVZBLSPASH-UHFFFAOYSA-N	318.333	1.201	50	20	DDGD	
C=CC(C)(C)CNC(=O)NNc1cccc(S(C)(=O)=O)c1	838665711	TZMLBGGGVIKQTA-UHFFFAOYSA-N	311.407	1.928	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1cnn2ccccc12	731992478	KBKPRZYGOREUHR-UHFFFAOYSA-N	312.304	1.477	50	20	DDGD	
CN(NC(=O)[C@]1(O)CCc2ccccc2C1)C(=O)OC(C)(C)C	838373600	RPLDJVZJHIMPDY-KRWDZBQOSA-N	320.389	1.805	50	20	DDGD	
O=C(N[C@@H]1CC[C@@H](c2ccccc2)C1)c1cccc(B(O)O)c1	584970011	KCONRAPWBRHAAI-RHSMWYFYSA-N	309.174	1.433	50	20	DDGD	
O=C(O)CSCCC(=O)NNC(=O)c1c[nH]c2ccccc12	739845710	IZXRZPYAFLDYRI-UHFFFAOYSA-N	321.358	1.137	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNc1cccc(C(=O)O)c1	833421745	BELYKSJSJBFLQK-UHFFFAOYSA-N	321.377	1.770	50	20	DDGD	
OB(O)c1cccc(CN[C@H]2CCCN(c3ccccc3)C2)c1	585027619	CMPJOAPQLQAVES-KRWDZBQOSA-N	310.206	1.125	50	20	DDGD	
COCCC[C@H](C)C(=O)NNc1ccc(C(=O)O)cc1OC	833725344	UTQRCUSKLXFMCW-JTQLQIEISA-N	310.350	1.899	50	20	DDGD	
C[C@H]1Cc2cc(CNC(=O)/C(C#N)=C\c3cnn(C)c3)ccc2O1	830830086	YRGRZRXHKDCPPW-VQZCYCSMSA-N	322.368	1.967	50	20	DDGD	
O=C(NNc1ccc(Br)nc1)[C@H]1C[C@H]2CC[C@H]1O2	733806426	CMGHGXPRABKCCY-KXUCPTDWSA-N	312.167	1.855	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N2C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)cc1	836264679	JQGFOPZLEMQERA-CAOSSQGBSA-N	324.384	1.891	50	20	DDGD	
CCCN1C[C@H](C(=O)NNc2cnc3ccccc3n2)CC1=O	839740292	NRADGKJMMXMTNC-LLVKDONJSA-N	313.361	1.331	50	20	DDGD	
CCOC(=O)[C@@H](CC(=O)NNc1cc(Cl)ccn1)C(C)=O	831794051	DGJKZOFUXOADEN-JTQLQIEISA-N	313.741	1.337	50	20	DDGD	
C[C@@H]1C[C@H](CC(=O)NNC(=O)CN2CCCC2=O)CC(C)(C)C1	913731114	UTDCZNLIFORQHI-CHWSQXEVSA-N	323.437	1.609	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(OCc2noc(C)n2)cc1	837621181	GIVRPXQAEIVLDT-UHFFFAOYSA-N	320.349	1.180	50	20	DDGD	
CC(=NNC(=O)C(=O)NC(C)C)c1ccc2cc(O)ccc2c1	748780236	GXYGHTNGINSVII-UHFFFAOYSA-N	313.357	1.910	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)Nc1nc2n(n1)CCCC2	836774367	KMWUDDYBGXMXIT-UHFFFAOYSA-N	306.370	1.347	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)C[C@@H]1CCCC[C@H]1C	740852035	IBKXYWQWPRBFDH-NEPJUHHUSA-N	311.426	1.655	50	20	DDGD	
CC(C)(C)SCCCC(=O)NNC(=O)CN1CCCC1=O	913731696	SFTNNUQITVYATH-UHFFFAOYSA-N	315.439	1.068	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2c(F)cccc2OC)n1	746626134	XNEDHBYSPDBELO-UHFFFAOYSA-N	306.297	1.698	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(OCc2ccccc2)ccn1	910162028	BYTPLBHMHQEXFK-ZDUSSCGKSA-N	315.373	1.618	50	20	DDGD	
CNC(=O)NCCC(=O)NNc1ncnc(Cl)c1C(C)C	840545410	STHOPJVWLYSUTE-UHFFFAOYSA-N	314.777	1.016	50	20	DDGD	
Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCCCSC#N	916979983	VVPDQPOWCFGSRF-UHFFFAOYSA-N	316.452	1.964	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1cccc(-n2ccnn2)c1	842562892	ZTYVUQVQYJTXTQ-SWLSCSKDSA-N	313.361	1.533	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CCN(C)[C@H](C)C1	745855160	SCTRMZWWBJFMSI-CHWSQXEVSA-N	304.394	1.422	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1nc(F)ccc1Br	847400937	BOGDKMWTAZGMNX-UHFFFAOYSA-N	319.134	1.336	50	20	DDGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)N[C@@H]1CCNC1	841942103	WHACAMSJQAAQAI-SSDOTTSWSA-N	317.176	1.299	50	20	DDGD	
CCCN1C[C@H](C(=O)Oc2ccc([N+](=O)[O-])cc2OC)CC1=O	840306257	CCQFALJEXVQLQN-SNVBAGLBSA-N	322.317	1.767	50	20	DDGD	
CN(C)N(C(=O)[C@H]1CC[C@H](C)CC1)[C@H]1CCS(=O)(=O)C1	844300293	JSNSPQXMVFYBAD-AVGNSLFASA-N	302.440	1.305	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)CCc1ccccc1Cl	849305088	XOZJJBITMUGMSF-UHFFFAOYSA-N	306.771	1.463	50	20	DDGD	
COc1cccc(C[C@@H](O)C(=O)N(C)CC(Cl)Cl)c1	848084144	JCCXVWDRSOFWFQ-LLVKDONJSA-N	306.189	1.861	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1scnc1C(C)(C)C	843651380	CHUCSMDXVZHXJH-RKDXNWHRSA-N	311.407	1.627	50	20	DDGD	
O=C(CCc1nc2ccccc2oc1=O)NNc1ncccn1	914847914	OAXKKDZOGNBRFY-UHFFFAOYSA-N	311.301	1.054	50	20	DDGD	
N#CCSCC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	918595682	XSPUVDKNTHBCKC-UHFFFAOYSA-N	300.727	1.948	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)C2CC3(CCC3)C2)cc1	843753055	JDTLKOLXJHGVGW-UHFFFAOYSA-N	313.357	1.665	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2cnc3n(c2=O)CCS3)c1	748786159	WKSSOJUFGPQEIP-UHFFFAOYSA-N	320.349	1.553	50	20	DDGD	
CCN1CCC[C@@H](NS(=O)(=O)CC(C)(C)CCl)C1=O	921490909	VOMKKZQEMJRASE-SNVBAGLBSA-N	310.847	1.182	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2	919820443	ARYVRGXALQGXFT-SGMGOOAPSA-N	302.374	1.821	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)NCC1CC1)NC(=O)OC(C)(C)C	742582685	AXUQHRCKLWJZDL-VIFPVBQESA-N	314.386	1.030	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)[C@@H]2CCO[C@@H]2C)[C@@H](n2cncn2)C1	842562105	VDGIKZUWBLVOIR-BYNQJWBRSA-N	305.382	1.536	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])n1cncn1	917217218	GUNWKASVJUVPKW-ZETCQYMHSA-N	310.701	1.544	50	20	DDGD	
NC[C@H](NC(=O)NNC(=O)c1cccc(Cl)c1)C1CCCC1	841988229	SUWWUPIZXCNNSC-ZDUSSCGKSA-N	324.812	1.802	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2nc(C)cc(OC)n2)cc1	746631180	VBBINBHJBCTJOG-UHFFFAOYSA-N	316.317	1.337	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1CCCN2CCCC[C@@H]12	848402166	WUFGDGHKBZDNTI-HOCLYGCPSA-N	322.453	1.075	50	20	DDGD	
CC(C)N1CCC[C@@H]1C(=O)NNC(=O)c1cc2c(s1)CCC2	929280021	PVYNEDOLYZVFHN-GFCCVEGCSA-N	321.446	1.871	50	20	DDGD	
O=C(NNC(=O)C1(c2ccc(F)cc2)CCC1)N1CCOCC1	745987810	GXAMKZWOMVSAQF-UHFFFAOYSA-N	321.352	1.320	50	20	DDGD	
CC(=O)NNC(=O)[C@H]1C[C@]12CCCN(C(=O)OC(C)(C)C)C2	847283015	HXJBETABJGOHKY-ABAIWWIYSA-N	311.382	1.191	50	20	DDGD	
Cc1ccc(NC(=O)NN(C)C(=O)N2CCNCC2)cc1C	841001746	UKTOJNHRMNKOIG-UHFFFAOYSA-N	305.382	1.297	50	20	DDGD	
CCc1cccc(C=NNC(=O)C(=O)NC(CC)CC)c1O	848406052	HYSKXEFZVKENMN-UHFFFAOYSA-N	305.378	1.710	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNc1ncc(Br)cn1	848322293	WGEXKPKBOGGHKF-UHFFFAOYSA-N	317.143	1.024	50	20	DDGD	
CCC(CC)(C(=O)NNC(=O)NC(C)C)C(=O)OC(C)(C)C	845323901	SVDCIIKOVFFOKV-UHFFFAOYSA-N	315.414	1.873	50	20	DDGD	
CCON1CCC(CC(=O)NN(C)C(=O)OC(C)(C)C)CC1	854920965	UPXJZTGTXKUGTK-UHFFFAOYSA-N	315.414	1.938	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)/C=C\c1cncc(F)c1)C1CC1	855100971	MMPYNDFLIQMAID-ANTNXHBISA-N	308.382	1.528	50	20	DDGD	
N#C/C=C\CN1C(=O)NC2(CCN(Cc3ccccc3)CC2)C1=O	857223879	UPPYBTKOTZUETD-PLNGDYQASA-N	324.384	1.653	50	20	DDGD	
CCn1cc([C@@H](C)NC(=O)NNC(=O)c2cc(C)cs2)cn1	858520813	IOVZKUZZQMOZGK-SNVBAGLBSA-N	321.406	1.978	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCOc2ccc(F)cc21	756055392	AJCMHVBLDIXODM-UHFFFAOYSA-N	309.341	1.218	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2C[C@H](C)N(C3CC3)C2)cc1	753956545	VDMXNZNNWDABQF-LBPRGKRZSA-N	314.389	1.662	50	20	DDGD	
CCCOC(=O)c1ccc(NC(=O)NNC(=O)COCC)cc1	755841574	KOAULADFIJMNSU-UHFFFAOYSA-N	323.349	1.443	50	20	DDGD	
CCCn1nccc1C=NNC(=O)COc1ccc(C#N)cc1	853265009	BECANZUAOMEZFT-UHFFFAOYSA-N	311.345	1.694	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@@]1(C)CCOC1	754008986	HDJAVGHSJLEXRH-INIZCTEOSA-N	322.361	1.038	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NC[C@]1(C)C[C@H]1Br	857690352	RUEVPZICRJVKFX-WZRBSPASSA-N	317.227	1.677	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cccc(OC2CC2)c1F	853283125	DGMJDPLIYHWTDV-UHFFFAOYSA-N	307.325	1.342	50	20	DDGD	
CC(C)N1CC(=NNC(=O)COc2ccccc2C#N)[C@H](C)C1	754261575	XEOWHTFNRLKOAM-CYBMUJFWSA-N	314.389	1.769	50	20	DDGD	
O=C(NNc1ccccc1C(F)(F)F)N[C@@H]1COC(=O)C1	923724029	AJESLIZKHQSXKF-ZETCQYMHSA-N	303.240	1.647	50	20	DDGD	
C[C@H](CC(=O)NNc1cnnn1C)C(=O)c1ccc(Cl)cc1	857272859	IYBMVQKNPBMTRS-SECBINFHSA-N	321.768	1.821	50	20	DDGD	
Cc1nc(NC(=O)NNC(=O)CO)sc1-c1ccccc1	755493333	KMYNKPBAIUEORT-UHFFFAOYSA-N	306.347	1.264	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)Cn2ccc3ccccc32)CCOC1	754243566	VVWHMHGAZSGCRR-MRXNPFEDSA-N	301.346	1.215	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1nnn(C(C)(C)C)n1	853278391	AKCLAXRTPDUNLW-LBPRGKRZSA-N	321.429	1.000	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2[nH]c(C)nc2C)n1	857152646	AQZIZHDWBHYDBV-UHFFFAOYSA-N	303.370	1.420	50	20	DDGD	
CC(CN1Cc2ccccc2C1=O)=NNC(=O)c1cnn(C)c1	754944078	KHRLFSAIOGWERC-UHFFFAOYSA-N	311.345	1.182	50	20	DDGD	
O=C(NNC(=O)N[C@H]1C=CCC1)Nc1ccc2c(c1)OCO2	852506477	SQOGEZOHTDLSHO-VIFPVBQESA-N	304.306	1.470	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc(C)cc(C)n1	854285171	HLFSYXCJYRHRSF-UHFFFAOYSA-N	310.423	1.186	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2	858163608	HOHWRCKKEWPBGT-SLEUVZQESA-N	313.467	1.687	50	20	DDGD	
C[C@@]1(CNC(=O)N[C@@H]2CC[C@H](C(N)=O)C2)C[C@@H]1Br	856862659	GJCXCRGYNRAWPG-NHRVJRKFSA-N	318.215	1.113	50	20	DDGD	
O=C(C[C@H]1C[C@H]2CC[C@H]1O2)NNC(=O)c1cccc(Cl)n1	857324668	JXNOOVUAGKFYEK-FXPVBKGRSA-N	309.753	1.454	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@@H](COC)c1ccc(CC)o1	754348612	UIPQYVKRWHCIBB-JQWIXIFHSA-N	311.382	1.065	50	20	DDGD	
O=C(Cc1ccc(F)c(Cl)c1)NNC(=O)[C@H]1CCCCO1	861853826	RIQLSJRFZGJOKR-GFCCVEGCSA-N	314.744	1.738	50	20	DDGD	
O=C1NCCC[C@@H]1C(=O)NNc1nc2ccc(Cl)cc2s1	869297452	PQNUQGVIAOEVSM-QMMMGPOBSA-N	324.793	1.919	50	20	DDGD	
Cn1cc(C(=O)NNc2cccnn2)c(-c2cccs2)n1	768407370	OZOHHLWRAMQYCE-UHFFFAOYSA-N	300.347	1.696	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)CC(F)(F)C(F)(F)F)C1CC1	869217546	ATCBRVTYVDZNIW-YFKPBYRVSA-N	319.299	1.868	50	20	DDGD	
COC(=O)[C@@]1(NC(=O)[C@H](Br)C(C)(C)C)CCOC1	768253934	SUCHILFLYNHRLK-QPUJVOFHSA-N	322.199	1.244	50	20	DDGD	
CCCOc1cc(F)ccc1NCc1cccc(B(O)O)c1	864022443	OPHYIQXACBCLBT-UHFFFAOYSA-N	303.142	1.906	50	20	DDGD	
Cc1c(CC(=O)NNCC(F)(F)C(F)(F)F)cnn1C	863100068	RZQWRRBNFHQWIW-UHFFFAOYSA-N	300.231	1.089	50	20	DDGD	
O=C(CC1C2CC3CC(C2)CC1C3)NNC(=O)c1cn[nH]c1	862469813	UIRGYFOEKFRNTF-UHFFFAOYSA-N	302.378	1.633	50	20	DDGD	
CS(=O)(=O)c1ccc(NNC(=O)COC(F)(F)F)cc1	935020209	ILESWVNIVSKRAM-UHFFFAOYSA-N	312.269	1.070	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCC1CC(OC(C)(C)C)C1	764499604	OFQHYHXWMQLUCB-UHFFFAOYSA-N	315.414	1.337	50	20	DDGD	
COc1ccc(CCC(C)=NNC(=O)[C@@H]2CCC(=O)N2)cc1	863147117	ZAIKRODDHVJGBW-AWEZNQCLSA-N	303.362	1.399	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)C(=O)Nc1cccc(C(F)F)c1	763979770	LIWSTLJVSICSLE-UHFFFAOYSA-N	322.271	1.352	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NNc1ccnc(N(C)C)n1	768712797	UQSXMKMGQYEGPB-STQMWFEESA-N	321.425	1.971	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)CC(F)(F)F)c1F	764115729	GCHBIQGNUSWQNL-UHFFFAOYSA-N	321.230	1.172	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C2CCSc3c(Cl)cccc32)N1	863149125	RWAXNNRCMKNGCZ-LLVKDONJSA-N	323.805	1.935	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccnc(N2CCCC2)n1	768515622	STPFMMMBWFIHLB-UHFFFAOYSA-N	323.360	1.710	50	20	DDGD	
CCc1cc(C(=O)NNCC(F)(F)C(F)(F)F)cc(O)n1	863100187	OBTJEVKDHBBVBD-UHFFFAOYSA-N	313.226	1.782	50	20	DDGD	
C[C@H](C(=O)NNC(=O)NCC1CC1)c1cccc([N+](=O)[O-])c1	761623240	BFCJPHLNHDBYOH-VIFPVBQESA-N	306.322	1.439	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NC1(C(=O)O)CCCCC1	864492968	RPHNOGZUXOCJDD-UHFFFAOYSA-N	311.831	1.958	50	20	DDGD	
C[C@H](C(=O)NNc1cccnn1)n1ccc(C(F)(F)F)n1	867356069	NXNQLEXGRYNNOQ-SSDOTTSWSA-N	300.244	1.396	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)c1C	864514188	NAULZORSBATBMJ-UHFFFAOYSA-N	320.780	1.869	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1c(C)nn(C(C)C)c1C	863146713	YIOIYCZMTWSKJE-LBPRGKRZSA-N	305.382	1.200	50	20	DDGD	
Cc1cc(=NNC(=O)c2ccc(O[C@H]3CCOC3)cc2)cc[nH]1	862512010	GVHUDIVTFULSKD-INIZCTEOSA-N	313.357	1.737	50	20	DDGD	
O=C1NCC[C@@]1(C(=O)NNc1cccc(Cl)n1)C1CCCC1	861811193	HZWLTQDBHRLWSG-OAHLLOKOSA-N	322.796	1.875	50	20	DDGD	
CCSc1ccccc1C(=O)NNC(=O)Cc1cc(C)[nH]n1	869012710	BGQUWJBBPTZMRK-UHFFFAOYSA-N	318.402	1.834	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)c2cccc(F)n2)cc1	763462965	OSHQKPAVKPSOMX-UHFFFAOYSA-N	303.293	1.233	50	20	DDGD	
COCCOCC(=O)NNC(=O)[C@@H](Cc1ccccc1)C(C)C	869909932	MVDWCGADSYDOAA-HNNXBMFYSA-N	322.405	1.312	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)CCC(=O)OC(C)(C)C)C1CC1	768230031	CPUQSIPFSPDDFC-SECBINFHSA-N	315.439	1.402	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1Cl	763441640	OCIYBEOZYYCPNC-UHFFFAOYSA-N	304.133	1.489	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1cocc1C	863851991	WFWBBIHTIFKACF-UHFFFAOYSA-N	302.330	1.990	50	20	DDGD	
C[C@H](NNC(=O)c1sccc1-n1ccnn1)C(F)(F)F	862321881	CDLFFWSEVSZSLE-LURJTMIESA-N	305.285	1.514	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@]12CCOC2)c1cc2c(s1)CCC2	763723980	UQPPSOQHUXXNJF-BONVTDFDSA-N	306.387	1.424	50	20	DDGD	
Cn1nc(C(=O)NN=C2CCC[C@@H]2F)c2ccccc2c1=O	872332652	OUJRQYWVXLGPQD-NSHDSACASA-N	302.309	1.541	50	20	DDGD	
Cc1cccc2c(=O)c(C(=O)NNC(=O)CC(C)C)c[nH]c12	776106078	AGACBOKIXFYQAO-UHFFFAOYSA-N	301.346	1.644	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(C)n(-c2ccc(C)cc2)n1	777371345	MLRHVJLBNDDVNI-UHFFFAOYSA-N	315.377	1.843	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(Cl)o1	771949790	OHPUCBJNQVOJRQ-MRVPVSSYSA-N	316.741	1.672	50	20	DDGD	
Cn1nc2c(c1NC(=O)C(=O)NNc1ccccc1)CCCC2	873791840	SGPDLUXZNJLKDR-UHFFFAOYSA-N	313.361	1.381	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1coc(C2CCC2)n1	874956349	UUSDILTWJCMDDE-UHFFFAOYSA-N	317.374	1.969	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1ncc2n1CCCC2	878017984	PZBIZNZLTYGSKP-UHFFFAOYSA-N	313.361	1.093	50	20	DDGD	
Cn1ccc(NNC(=O)C[C@H]2CSc3ccccc3O2)n1	1117984747	ALOFRTJWIAQEMJ-JTQLQIEISA-N	304.375	1.807	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CCCC(N)=O)cc1C	873765726	XNDLNFUWHCLXJA-UHFFFAOYSA-N	308.407	1.277	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)c1nc2ccccc2s1	874913357	CGEYBPHXSWYRSC-YGOYTEALSA-N	319.386	1.871	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1ccccc1C(=O)OC	775676446	UVHVMLBADLAGRW-UHFFFAOYSA-N	307.350	1.146	50	20	DDGD	
NC(=O)N1CCC[C@H]1C(=O)NNc1ccc(F)cc1Cl	885135816	NPIKOXDAGOYRSM-JTQLQIEISA-N	300.721	1.465	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccn(Cc2ccccc2)n1	772524904	KVIZPNZHDQJUAW-UHFFFAOYSA-N	301.350	1.284	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc3nsnc3c2)n1	770473348	LTJLQOPUEBQZNR-UHFFFAOYSA-N	302.319	1.247	50	20	DDGD	
Cc1cc(CC(=O)NNc2ccnc(Br)c2)no1	771535868	YCIGNCAMTMDQAF-UHFFFAOYSA-N	311.139	1.826	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)Cc2nc3ccccc3n2C)CCO1	773194681	XMZBGKHXCPJXBO-LLVKDONJSA-N	300.362	1.787	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](C)CC(=O)c1ccccc1F	887144356	KQPBCINNBYPEOB-GFCCVEGCSA-N	318.348	1.986	50	20	DDGD	
O=C(NCc1ccccc1Cl)NNC(=O)C1CCOCC1	883039080	CEUGNCMCFMJRKZ-UHFFFAOYSA-N	311.769	1.597	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn(CC3CC3)c2)cc1O	882052995	RMFKURUJGLXNMW-UHFFFAOYSA-N	314.345	1.382	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@H]1CCN(c2ccc(F)cc2)C1=O	780755157	KYCUFWMZWFHWKJ-CQSZACIVSA-N	314.320	1.139	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCCOc2cc(F)ccc21	781594635	CYLRDHZNNQLJOB-UHFFFAOYSA-N	309.297	1.175	50	20	DDGD	
COCCn1cc(C(=O)NNc2ncncc2Cl)c(C)n1	781820617	ZBTMBNYCGJIBIZ-UHFFFAOYSA-N	310.745	1.038	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNc2ncncc2Cl)cc1	781804519	JIIHNWDNXYWYQD-UHFFFAOYSA-N	303.709	1.524	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCn2cccc2)c1	780841329	NJSYTIVYQQMLOC-UHFFFAOYSA-N	302.334	1.601	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CCC[C@H](C)CC1	785957839	MYPJTCLFWBWJBI-YNEHKIRRSA-N	315.414	1.337	50	20	DDGD	
C#CCCCC(=O)NNC(=S)N[C@H]1CCc2ccccc2C1	899620867	VXUTYWMZODKWSE-HNNXBMFYSA-N	315.442	1.843	50	20	DDGD	
Cc1cc(Br)cn2c(C=NN(C)C(N)=O)cnc12	783864060	OXIFOEGFDAREMB-UHFFFAOYSA-N	310.155	1.750	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)NNc1ccnc(F)c1	781358222	DLCNYOSCQOUWCJ-LLVKDONJSA-N	308.357	1.701	50	20	DDGD	
C[C@@H]1CC[C@@H](NC(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)C1	780787462	MTQSHXHKYLEFSC-RKDXNWHRSA-N	322.321	1.433	50	20	DDGD	
Cc1nc(C(=O)NNc2ncncc2Cl)c2ccccn12	781836820	QAFNAFFESASMAW-UHFFFAOYSA-N	302.725	1.843	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1ccc(N2CCCC2)nn1	781819684	GBHBCURHUQDLOS-UHFFFAOYSA-N	319.756	1.277	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CN(C)CC(C)(C)C)n1	896996384	UNJCYPLPIYSJIU-UHFFFAOYSA-N	322.457	1.744	50	20	DDGD	
N#CC[C@@H](CC(=O)NNc1ccc(C(N)=O)nn1)c1ccccc1	795170907	ANTAWMYPWRQGER-LBPRGKRZSA-N	324.344	1.106	50	20	DDGD	
Cn1c(=NNC(=O)c2ccc(Cl)nn2)sc2ccccc21	798157090	SJTVYESILKIOBT-UHFFFAOYSA-N	319.777	1.929	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NN=Cc2c(C)cnn2C)c1	794868117	FSKJZYACLDGNJU-UHFFFAOYSA-N	300.362	1.874	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC[C@@H]2CCC[C@@H]2C)n1	798511809	SLZJTHISIUCKRR-GWCFXTLKSA-N	307.398	1.267	50	20	DDGD	
CCCCn1ncc(NC(=O)NNC(=O)COC)c1C(C)C	792503506	YSWKUTUEBUQVSZ-UHFFFAOYSA-N	311.386	1.606	50	20	DDGD	
O=C(CCN1CCCCCC1)NN=C1CC(=O)N2CCCC[C@H]12	799471420	HTOPQMHGXDFRFN-OAHLLOKOSA-N	320.437	1.510	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(F)c1[N+](=O)[O-])c1cnn(C)c1	790588675	INZMTUMVORKREK-MRVPVSSYSA-N	307.285	1.714	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)Cc2cscn2)n1	793221200	WRRLOSAESRWSOS-UHFFFAOYSA-N	305.363	1.333	50	20	DDGD	
CC(C)Cc1ncc(NC(=O)NNC(=O)c2cccnc2)cn1	791949027	MCTXSVYFXLJRTL-UHFFFAOYSA-N	314.349	1.537	50	20	DDGD	
Cn1cc(C(=O)NNc2ccnc(F)c2)c(-c2ccoc2)n1	790023996	VFZQHUUIZVXYTI-UHFFFAOYSA-N	301.281	1.971	50	20	DDGD	
C=CC[C@@H](CO)CNS(=O)(=O)c1ccc(CCCl)cc1	774789123	RRHLSIJYKPDETL-CYBMUJFWSA-N	317.838	1.931	50	20	DDGD	
CCn1cc(C(=O)C(=O)NNc2cc(C#N)cc(Cl)n2)cn1	1319933644	NEBXNEZJBXTYBS-UHFFFAOYSA-N	318.724	1.149	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccn(CC(F)(F)F)n2)n1	1336223029	AAHQQZNOSJQCJX-UHFFFAOYSA-N	316.243	1.001	50	20	DDGD	
CC(C)c1ccc(NNC(=O)[C@@H]2CCc3nnc(O)n3C2)cc1	1335950239	URJGILXITJBLAQ-GFCCVEGCSA-N	315.377	1.813	50	20	DDGD	
O=C(NCCCC1CCCCC1)NNC(=O)C1CCNCC1	1261374806	UUDBZAZBHZMSKU-UHFFFAOYSA-N	310.442	1.677	50	20	DDGD	
Cn1cnnc1COCC(=O)OC[C@]1(C)C[C@@H]1Br	1263536808	FOFTVBWXPLUUAN-KWQFWETISA-N	318.171	1.048	50	20	DDGD	
Cc1cc(C=NNC(=O)c2nnc(O)c3ccccc23)ncn1	1347600822	SXGUSFUYHLDBAU-UHFFFAOYSA-N	308.301	1.198	50	20	DDGD	
CCc1noc(CC)c1CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	1261453079	URWNUPYLQHIDNT-NXEZZACHSA-N	324.381	1.055	50	20	DDGD	
C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNc1ccc(F)cc1Cl	1353039987	USGATSOLBMWHLU-NOZJJQNGSA-N	312.776	1.311	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](C)c2nnnn2C)c(Cl)c1	1351579083	RDYKIVFBWXECIX-QMMMGPOBSA-N	309.761	1.559	50	20	DDGD	
CC(=O)c1cn(CC(=O)OC[C@]2(C)C[C@@H]2Br)nn1	1526044767	MRGWURHBWMYGBB-ONGXEEELSA-N	316.155	1.197	50	20	DDGD	
Cc1cccc([C@H](NC(=O)NNC(=O)C(=O)O)C(C)(C)C)c1	1600516498	OUGDUKOJJCNVQB-NSHDSACASA-N	307.350	1.497	50	20	DDGD	
C[C@@H](Cc1ccc(NC(=O)NNC(=O)CC2CC2)cc1)C(=O)O	1609753906	FJGAQZVTXVDITH-JTQLQIEISA-N	319.361	1.903	50	20	DDGD	
O=C(NN[C@@H](C(=O)O)c1ccccc1Cl)[C@H]1CCCCO1	1601557160	GPKSDOYPURHNOX-VXGBXAGGSA-N	312.753	1.656	50	20	DDGD	
N#CCc1ccnc(NC(=O)NNc2ncccc2C(=O)O)c1	1605601551	RVEFAQQLPWPQCU-UHFFFAOYSA-N	312.289	1.389	50	20	DDGD	
Cc1ncccc1CNC(=O)NNc1cccc(C(=O)O)c1	1607989125	XFNOUAGOSASWIR-UHFFFAOYSA-N	300.318	1.915	50	20	DDGD	
O=C(O)c1ccc(CNS(=O)(=O)CCCCCl)c(F)c1	1602349935	TXEPFOAVYKZZDZ-UHFFFAOYSA-N	323.773	1.962	50	20	DDGD	
O=C(O)Cc1occc1C(=O)NNC(=O)c1ccc(Cl)nc1	1608794252	QKRRGMJGICZQLT-UHFFFAOYSA-N	323.692	1.030	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H]1CC[C@@H](C(=O)O)C1	1600585357	QRYZXUJZZTXROM-WDEREUQCSA-N	305.334	1.649	50	20	DDGD	
O=C(NN=Cc1cccc2[nH]ccc12)[C@@H]1CN2CCC[C@H]2CO1	1549317764	MOEPOKKKRAIQOW-BBRMVZONSA-N	312.373	1.481	50	20	DDGD	
Cc1c(/C=C(/C#N)c2ccc([N+](=O)[O-])cn2)c(C(=O)O)nn1C	1610411647	QLZIETCPQUTSRB-UITAMQMPSA-N	313.273	1.794	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CC[C@@H]2CCCNC2)c1	1579772972	PRHFXNSXAXEPLK-AWEZNQCLSA-N	319.405	1.301	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CCSCCCN	1579181060	VHHKDKVNELYWID-UHFFFAOYSA-N	314.363	1.981	50	20	DDGD	
CCOCc1nc(C)cc(NNC(=O)CC[C@H]2CCCNC2)n1	1578127240	QNEYVYUMZRSEEN-CYBMUJFWSA-N	321.425	1.544	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccoc2CC(=O)O)c1	1598999409	GJSJEWAGKLCXCL-UHFFFAOYSA-N	318.285	1.450	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NNc2ccc(C(=O)O)cn2)C1	1594623451	CUNIKTYTGIHBKL-GZMMTYOYSA-N	315.333	1.312	50	20	DDGD	
O=C(O)[C@@H](C(=O)NNc1nc(C(F)(F)F)cs1)C1CC1	1594836261	RRNDGPJTEFWRQF-ZCFIWIBFSA-N	309.269	1.716	50	20	DDGD	
CC[C@](C)(CO)C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1590381419	KLUMSACJTQZRGO-CYBMUJFWSA-N	324.772	1.372	50	20	DDGD	
C[C@]1(C(=O)NC[C@H](C(=O)O)[C@H]2CCOC2)C[C@H]1Br	1593749120	IKFCDUPMIWXAHV-UOKLYIGXSA-N	320.183	1.013	50	20	DDGD	
CC[C@H](C)[C@@H](NNC(=O)[C@H]1OCC[C@H]1c1ccccc1)C(=O)O	1594921201	ONIQQPVFCLYHEM-MHEUCROKSA-N	320.389	1.679	50	20	DDGD	
C[C@H](CBr)CN(CCC(=O)O)C[C@@H]1CCCO1	1592212819	ULBAOWZFVVFCOP-MNOVXSKESA-N	308.216	1.973	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1ccnc(C(=O)O)c1	1594780573	XXTHJDSICHFXMV-UHFFFAOYSA-N	300.274	1.246	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=Cc2cccc3ncnn23)c1	1776095920	BWUDNQNMFSXQJF-UHFFFAOYSA-N	309.285	1.191	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@H]1Cc2ccccc2S1	12748085	UIAJDFVCQYRYDF-LLVKDONJSA-N	309.460	1.997	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)c2cc(S(N)(=O)=O)c(C)o2)c1	158801599	KRBAFGGMBKZHFQ-UHFFFAOYSA-N	323.374	1.609	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)C(=O)OC)cc1	163323031	MHTATDDYLRRUSQ-NASPGAHYSA-N	302.330	1.670	50	20	DDGD	
Cc1cc(C)c(NNC(=O)N[C@@H](C)[C@H]2CN(C)CCO2)c(C)c1	152384075	GCSPJBKICCFQFH-LSDHHAIUSA-N	320.437	1.957	50	20	DDGD	
CS[C@@H](C)CC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	155465265	IAPCMUSHAKKCQA-VHSXEESVSA-N	314.382	1.882	50	20	DDGD	
CN(C)C(=O)NNC(=O)CCCOc1ccc2c(c1)CCC2	155478204	YZPIESGQJCHZHI-UHFFFAOYSA-N	305.378	1.637	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2cccc(C(F)(F)F)n2)c[nH]1	154814486	FHZXSVZGFLDSHY-UHFFFAOYSA-N	312.251	1.854	50	20	DDGD	
CS(=O)(=O)N1CC[C@@H](NC(=O)c2cccc(CCl)c2)C1	400133689	RZMBKCYCCJAQRJ-GFCCVEGCSA-N	316.810	1.189	50	20	DDGD	
CC1CCC(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)CC1	56819114	MCHRNKZNQBKLAS-YIZWMMSDSA-N	317.455	1.194	50	20	DDGD	
O=C(CCOc1ccc(F)cc1)NNC(=O)Cc1cccnc1	103423924	QONKABWFBDROCJ-UHFFFAOYSA-N	317.320	1.380	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1	178966808	PNQUUUFUACEIEJ-ZQHZRZASSA-N	324.384	1.667	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)Oc1ccccc1Cl	109859397	DCPDMVVHMANVGG-VIFPVBQESA-N	322.752	1.600	50	20	DDGD	
O=C(COCC1CC1)NNC(=O)c1cnn(-c2ccccc2)c1	112824681	IUYWRASZABDEQN-UHFFFAOYSA-N	314.345	1.060	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cccc(C#N)c1	55352393	JWFRMTUCQRQTJA-UHFFFAOYSA-N	309.325	1.571	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNC(=O)NC1CCCCC1	58175931	BBHZHBCLAHVCKU-UHFFFAOYSA-N	324.406	1.141	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)c2ccc(F)cc2)C[C@@H](C)O1	68194712	MEJWUTWHZAXDKL-TXEJJXNPSA-N	323.368	1.086	50	20	DDGD	
COCCOc1cccc(C(=O)NNC(=O)CC(C)(C)C)c1	103196540	PSLUPCMRIXSLDZ-UHFFFAOYSA-N	308.378	1.909	50	20	DDGD	
O=C(CCc1ccncc1)NNC(=O)Cn1ccc2ccccc21	104631764	NZQVWTSXVCWUSP-UHFFFAOYSA-N	322.368	1.817	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNC(=O)CCc1ccccc1O	106285754	GJXHUAQGIACEBJ-GFCCVEGCSA-N	308.378	1.677	50	20	DDGD	
Cc1nn(C)c(C)c1CCC(=O)NNC(=O)NCc1ccco1	65176703	NFVIJBWFYIMFGU-UHFFFAOYSA-N	319.365	1.093	50	20	DDGD	
COCCN1CCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)CC1	176996882	ZSBICXNHXHQQAT-OMCISZLKSA-N	316.361	1.723	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2cn3ccccc3n2)c1O	173884041	KOUSPDIPSMVYLL-UHFFFAOYSA-N	324.340	1.352	50	20	DDGD	
CN(CCCC(=O)NNC(=O)NC1CC1)C(=O)OC(C)(C)C	67236161	YEYYIIOSOXYTIN-UHFFFAOYSA-N	314.386	1.126	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccc2nnc(C(F)F)n2c1	1343996356	AUVSALMOLFOVFE-UHFFFAOYSA-N	323.238	1.353	50	20	DDGD	
CN(CCCNC(=S)NNC(=O)C1CCC1)c1ccccc1	67195480	VILTXVSOZWJERN-UHFFFAOYSA-N	320.462	1.808	50	20	DDGD	
COc1cc(CC(=O)NNC(=O)NCC(F)(F)F)ccc1C	60411722	SNENMXYZWOSMNW-UHFFFAOYSA-N	319.283	1.439	50	20	DDGD	
COc1cccc(NNC(=O)c2cccnc2OCC(F)F)n1	180741474	DNDXOWBXBSPELG-UHFFFAOYSA-N	324.287	1.886	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)C[C@H]2C=CCCC2)C[C@@H](C)O1	188189123	FTDPTHWSUPWMKJ-ZNMIVQPWSA-N	323.437	1.380	50	20	DDGD	
COCC(=O)N1CCN(C(=O)c2cccc(CCl)c2)CC1	37831963	UYPVKTQWCDWZGK-UHFFFAOYSA-N	310.781	1.356	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2ccc(F)cn2)c1	183933241	JUHDBBOFMJDHTN-UHFFFAOYSA-N	309.322	1.381	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)COC(C)(C)C	181156219	KLXAHJSOZCDCOA-SNVBAGLBSA-N	312.341	1.556	50	20	DDGD	
C[C@H](C(=O)NN(C)C(N)=O)c1ccc(Br)s1	181065858	PKPVKUXLICGLFA-YFKPBYRVSA-N	306.185	1.656	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1cccc(-n2cccn2)n1	127704642	MOQGHHKNQYWZLF-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
Cc1nc2ccccc2n1CCC(=O)NNC(=O)c1ccc[nH]1	120112922	QVIYXLAWJYYIJW-UHFFFAOYSA-N	311.345	1.524	50	20	DDGD	
Cc1cc(C)n(Cc2cccc(C(=O)NN(C)C(N)=O)c2)n1	181066857	ZPLHVLAHEGYIOB-UHFFFAOYSA-N	301.350	1.204	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(C(F)F)c1	124742885	MVPJLUWBNIQVAV-QMMMGPOBSA-N	313.304	1.756	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1ccc(-n2nccn2)cc1	184056968	QUDMSXCNUGYLBP-UHFFFAOYSA-N	311.305	1.062	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)C#Cc2ccccc2)c1	182151303	GTPLOOKJKKPEHS-UHFFFAOYSA-N	314.366	1.585	50	20	DDGD	
CC#CCCCC(=O)NNc1c(OC)cccc1S(C)(=O)=O	186070571	IQIBHWMTKCXQLM-UHFFFAOYSA-N	324.402	1.735	50	20	DDGD	
O=C(CCc1cccc2c1OCO2)NNC(=O)c1ccccc1	184593091	QJWNYZMYGCLNMR-UHFFFAOYSA-N	312.325	1.809	50	20	DDGD	
C[C@](O)(CC(=O)NNC(=O)c1ccc(C#N)cc1)c1ccccc1	182255619	XBEIGTYLKXKGCE-SFHVURJKSA-N	323.352	1.617	50	20	DDGD	
O=C(CN1CCOCC1)NNc1ncc(Cl)cc1Cl	132761640	GOPOADJCQBLVSS-UHFFFAOYSA-N	305.165	1.164	50	20	DDGD	
C[C@H](CN1CCCCC1)NC(=O)NNc1nc2ccccn2n1	191002845	TVOILBCZWILXIF-GFCCVEGCSA-N	317.397	1.230	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccncc1F	130692528	LDMIIRILUZQDTE-VIFPVBQESA-N	321.283	1.588	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCC[C@H](N(C)C)C2)o1	84455749	IWSVDJFFGPTGFQ-NEPJUHHUSA-N	308.382	1.405	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)c1c(C)nc2ccccn12	46573084	WFJVFKYBEUOHJK-UHFFFAOYSA-N	315.358	1.482	50	20	DDGD	
Cc1cccnc1NC(=O)NNC(=O)c1ccc2c(c1)OCO2	145383002	FXVHCWRIQRPQLT-UHFFFAOYSA-N	314.301	1.585	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccc[nH]2)oc2c1C(=O)CCC2	97405941	LRAIJHAHFZSVHP-UHFFFAOYSA-N	301.302	1.510	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)C1CC=CC1	90509422	OJRDWZFFZFRRQX-UHFFFAOYSA-N	306.387	1.901	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)cc1F	267631698	QSWGWZLZYQMOPH-QMMMGPOBSA-N	311.382	1.742	50	20	DDGD	
O=C(NNS(=O)(=O)c1c(F)cc(F)cc1F)C1CCC1	264687482	BNIPASREPZKGRZ-UHFFFAOYSA-N	308.281	1.214	50	20	DDGD	
Cc1nc2n(n1)CCN(/C(=C/C#N)c1ccc([N+](=O)[O-])cc1)C2	267383131	NDMMXDIATYWKQV-MKMNVTDBSA-N	310.317	1.875	50	20	DDGD	
C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NNc1cccnn1	266973984	ATKPTVQSCINMAM-SNVBAGLBSA-N	309.370	1.423	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1ccc(OC(F)F)cc1	266516279	IWFMANDUPMJCCA-JTQLQIEISA-N	315.276	1.620	50	20	DDGD	
Cn1cc(NC(=O)NNC(=O)C(C)(C)c2ccccc2)cn1	273462549	WESNSHIOTNWIEY-UHFFFAOYSA-N	301.350	1.551	50	20	DDGD	
O=C(NNC(=O)c1ccnn1CC(F)F)NC1CCCC1	278959109	DRNUQZTYPUIDBV-UHFFFAOYSA-N	301.297	1.035	50	20	DDGD	
C=C(CBr)CN1CCN([C@H]2CCCN(C)C2)CC1	366179752	FGILEVDVNOMHGN-AWEZNQCLSA-N	316.287	1.649	50	20	DDGD	
COc1cccc(NNC(=O)NCCCn2ccnc2C)n1	272381973	GROTUZUHYAWPDH-UHFFFAOYSA-N	304.354	1.312	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNc2nc(C)cc(C)n2)cn1C	271237229	FIUNRJMAHYUFDV-UHFFFAOYSA-N	318.337	1.367	50	20	DDGD	
C[C@](O)(CC(=O)NNC(=O)CSc1ccccc1O)C1CC1	271146962	PUTGEXSYCWMKNS-HNNXBMFYSA-N	324.402	1.183	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccccc1F)[C@@H]1CCCCO1	271937217	AOKZYAUZNCUODR-RISCZKNCSA-N	323.368	1.656	50	20	DDGD	
C[C@@H](C#N)Oc1ccccc1NC(=O)NNC(=O)CC1CC1	273357307	CCVNNJOVRWCNJQ-JTQLQIEISA-N	302.334	1.930	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCC1(C(N)=O)CCCC1	275086780	GAWUCMVIXGOSEH-LCYFTJDESA-N	313.357	1.461	50	20	DDGD	
C[C@@](O)(CSc1cccc(F)c1)C(=O)NNC(=O)C1CC1	285143210	XBQDFYXGUCZOQP-CQSZACIVSA-N	312.366	1.226	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(Cl)nn1)N(C)CC(F)(F)F	288146282	VGNJAVLBVIRNIX-LURJTMIESA-N	311.695	1.456	50	20	DDGD	
C=CC[C@@H](CC)NC(=O)NNc1ccc(-n2ccnc2)nn1	287245914	QJBHKHCZQCAZLL-LLVKDONJSA-N	301.354	1.643	50	20	DDGD	
CC(=O)N1CCC[C@@H]1C(=O)NNC(=O)Nc1ccc(Cl)cc1	283750786	KSOCKGSXIALOAL-GFCCVEGCSA-N	324.768	1.504	50	20	DDGD	
Cn1ncc2c1C[C@H](C(=O)NNc1cnc3ccccc3n1)CC2	282301827	LGDICQTWHRJOFQ-LLVKDONJSA-N	322.372	1.612	50	20	DDGD	
CC[C@@H](NC(=O)c1c(C)nn(CCCl)c1C)C(OC)OC	288271382	ZFEWOWBCSOQZOL-LLVKDONJSA-N	317.817	1.866	50	20	DDGD	
CC(C)Nc1ncccc1C(=O)NNC(=O)[C@@H]1CCCCO1	295562434	MXNDYLAGDQSLOD-LBPRGKRZSA-N	306.366	1.232	50	20	DDGD	
O=C(NNc1cccnn1)C(=O)Nc1cccc(C2CCC2)c1	291721551	KFPRVTGDNKQWDC-UHFFFAOYSA-N	311.345	1.826	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc(F)ccc2Cl)O1	294200998	KYWDKWQMTPESCD-CPCISQLKSA-N	300.717	1.808	50	20	DDGD	
CSC1(C=NNC(=O)c2nnc(O)c3ccccc23)CC1	800806778	HFIFESHADNYHIA-UHFFFAOYSA-N	302.359	1.947	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2C)O1	291029548	YJKASJOHQUQQMM-NWDGAFQWSA-N	323.305	1.067	50	20	DDGD	
CCOc1cccc(CNC(=O)NNC(=O)[C@@H]2CCCO2)c1	291588941	HHTKRHMUPJIOLP-ZDUSSCGKSA-N	307.350	1.095	50	20	DDGD	
C[C@H](NC(=O)[C@@H](Br)C(C)(C)C)C(=O)NCCF	800598425	LPKONAUSYKGVKW-JGVFFNPUSA-N	311.195	1.386	50	20	DDGD	
CC(=NNC(=O)Cn1c(C)nc2ccccc21)c1cn(C)c(C)n1	800806758	KVJGKVMIRKJHGP-UHFFFAOYSA-N	324.388	1.927	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)N[C@H]1CCN2CCCC[C@H]12	292814885	WNFGUJBYEMPDPK-WDEREUQCSA-N	309.801	1.988	50	20	DDGD	
Cc1cccc(CCCNC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)n1	298052028	SRIAUPSMHQERMW-JSGCOSHPSA-N	320.393	1.221	50	20	DDGD	
COC(=O)C(=O)CCCOC(=O)/C(C#N)=C/c1ccccc1	803482911	DOVFYBIMCGPNDT-JLHYYAGUSA-N	301.298	1.659	50	20	DDGD	
O=C(Cc1noc2ccccc12)NNC(=O)[C@@H]1CCCCO1	295592691	DLXGNHHCLOEAPY-ZDUSSCGKSA-N	303.318	1.087	50	20	DDGD	
O=C(NNc1ccncn1)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1	296178860	LSZIKPKSJJPZQA-STQMWFEESA-N	317.393	1.349	50	20	DDGD	
C/C=C(\CC)C(=O)NNc1ccccc1S(=O)(=O)N(C)C	294537006	GGIWZYWLJHIWQP-VZUCSPMQSA-N	311.407	1.736	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2(C#N)CC(C)C2)cc1	801105300	CPXVBHXDNGNAMI-UHFFFAOYSA-N	314.345	1.021	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccc(Oc2cccnc2)cc1	808896434	CELQQUCZRMNLGR-UHFFFAOYSA-N	302.290	1.019	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc(C#N)ccc2Cl)O1	293794386	CIDULIYSEGPQIT-UFBFGSQYSA-N	307.737	1.540	50	20	DDGD	
Cc1nn(C)c(Br)c1C(=O)NN=c1cc[nH]cc1	801186860	UDXRYJYGSDSFGA-UHFFFAOYSA-N	310.155	1.065	50	20	DDGD	
CCOC(=O)c1cnc(C)c(C(=O)NNc2ncccc2F)c1	804213226	IKCKDTVTKFGNRY-UHFFFAOYSA-N	318.308	1.858	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NN=C1CCS(=O)(=O)CC1	814747390	OMXDOFNQTPPOAO-UHFFFAOYSA-N	319.386	1.391	50	20	DDGD	
NS(=O)(=O)CCCCCC(=O)NNc1ccc(F)cc1	816843929	HYYJZTZIUHOMRX-UHFFFAOYSA-N	303.359	1.118	50	20	DDGD	
CC(=NNC(=O)[C@H](C)Oc1ccc(F)cc1)c1cnnn1C	814751965	VPXYSXKKUKLULT-JTQLQIEISA-N	305.313	1.262	50	20	DDGD	
CC(=NNC(=O)N=c1cc[nH]cc1)c1ccc(O)c([N+](=O)[O-])c1	815003984	SBDTZSYMXBWLBN-UHFFFAOYSA-N	315.289	1.663	50	20	DDGD	
C=C[C@H](O)C(=O)NNC(=O)CSc1ccc(Cl)cc1	816804619	BSWFFYAPQYHUCX-JTQLQIEISA-N	300.767	1.126	50	20	DDGD	
CO[C@H]1CCC[C@@H](C(=O)NNC(=O)COc2ccc(F)cc2)C1	814365172	AQCYWAFVDPYSSD-RISCZKNCSA-N	324.352	1.557	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=O)c2ccccc2O)C1	816830922	ZBWDMMIWEUFRAS-SKDRFNHKSA-N	314.345	1.242	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	812626885	PVGWBJYZPVOPQY-TUAOUCFPSA-N	316.398	1.030	50	20	DDGD	
CCOc1ccc(C(=O)NN=Cc2cnn(C)c2N)cc1OC	814754879	PVWCNIDOWJYXEZ-UHFFFAOYSA-N	317.349	1.174	50	20	DDGD	
O=C(COc1cc(F)cc(F)c1)NNc1nc2ccccn2n1	811439865	DNJQBOFTRXRIET-UHFFFAOYSA-N	319.271	1.530	50	20	DDGD	
CSCc1cccnc1C(=O)NNC(=S)N[C@@H](C)C1CC1	810635585	XPQHKCMPCYZFDD-VIFPVBQESA-N	324.475	1.852	50	20	DDGD	
COc1cc(C=NNC(=O)Cc2cc[nH]n2)ccc1SC	814954272	COELQHFCZZHXOH-UHFFFAOYSA-N	304.375	1.833	50	20	DDGD	
C=C[C@H](O)C(=O)NNC(=O)c1ccc(COc2ccccc2)o1	816829674	ZZUHRIZWFGDCKN-ZDUSSCGKSA-N	316.313	1.167	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cnc(-c2ccco2)s1	728862518	WPIFDIMHFHJQFE-UHFFFAOYSA-N	306.347	1.757	50	20	DDGD	
Cn1cc(-c2nn[nH]n2)cc1C(=O)NNc1cccc(Cl)c1	822645989	ZWPRKCOXXLZKRU-UHFFFAOYSA-N	317.740	1.616	50	20	DDGD	
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NN(CC)CCO	823873990	JYCUPCCLEHLIBI-ZDUSSCGKSA-N	309.366	1.509	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc(N2CCOCC2)nc1	728608311	TYWBYZJQPVRZDG-UHFFFAOYSA-N	320.393	1.115	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)CC(C)(C)C)cc1[N+](=O)[O-]	728608033	JPJKJXVPUJUNLV-UHFFFAOYSA-N	308.338	1.834	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=C(C)[C@H]1CCOC1	496347105	WAFSZFIDNUHSKM-QWHCGFSZSA-N	323.393	1.432	50	20	DDGD	
COC(=O)N(C)NC(=O)c1c(C)nc(C(C)C)nc1SC	495759422	BPONXQHROGPPBC-UHFFFAOYSA-N	312.395	1.973	50	20	DDGD	
CC(C)(C)OC(=O)N(CCC(=O)NN=c1cc[nH]cc1)C1CC1	496455060	FKVFDXOYSVJNFD-UHFFFAOYSA-N	320.393	1.736	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)/C=C1\SCC(=O)N1C	822483848	VWXBQEHNHMKLJV-WDZFZDKYSA-N	307.379	1.090	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)C[C@@H]1CCCC(=O)N1	822731090	FFCSTRKXYNEKCR-VIFPVBQESA-N	323.324	1.114	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H](C)OCC(C)C)cc1	728204413	LUHGHUKTLJNSCB-CYBMUJFWSA-N	307.394	1.615	50	20	DDGD	
C=CCc1cc(C(=O)NN(CC)CCO)cc(OC)c1OC	823841143	CZKRKEZBWWIWJW-UHFFFAOYSA-N	308.378	1.391	50	20	DDGD	
C[C@H]1CCc2c(F)cccc2[C@@H]1NCc1ccc(B(O)O)cc1	585027325	ZXAJDXRNQXRLGF-KPZWWZAWSA-N	313.181	1.919	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(F)cc(Br)c1	823970114	BYOKTWOYCOLZPZ-ZETCQYMHSA-N	305.147	1.546	50	20	DDGD	
CC(C)(C)OC(=O)NCC1(C(=O)NNc2cccnn2)CC1	495393519	QICIQDSUEQFJCM-UHFFFAOYSA-N	307.354	1.225	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H](C)c2nc(C)no2)cc1	726277446	BQUZBMOCZZRTKU-SECBINFHSA-N	317.349	1.646	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2ccc(-c3nn[nH]n3)s2)c(C)o1	822177430	YZOKZPIMRHFIEA-UHFFFAOYSA-N	316.346	1.902	50	20	DDGD	
COc1cc(/C=C(/C#N)C(=O)NCCCOC(C)C)sn1	901452656	ZAFQOWHERJFCRN-XFFZJAGNSA-N	309.391	1.990	50	20	DDGD	
COC(=O)N(C)NC(=O)CSc1ccc2c(c1)OCCO2	496510549	FYFCKNQXJLIWAO-UHFFFAOYSA-N	312.347	1.279	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1CCc2ccccc2C1	827316059	YSYMZJQSUZNZNV-BXUZGUMPSA-N	303.362	1.211	50	20	DDGD	
CC[C@@]1(O)CCN(C(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)C1	490907001	FYLPSOPMZKGQEF-UBWHZCOUSA-N	312.373	1.486	50	20	DDGD	
CCOC(=O)[C@H](NNC(=O)C1CCOCC1)c1ccccc1	905816723	SECUTBGHBNNDAD-CQSZACIVSA-N	306.362	1.338	50	20	DDGD	
C[C@@H]1CCCCN1CCCNC(=O)/C(C#N)=C\c1cnn(C)c1	491048950	MBGOWMQUTSIASU-KWZJRMENSA-N	315.421	1.708	50	20	DDGD	
CCN(CCO)NC(=O)Cc1cccc(OCC=C(C)C)c1	823893862	ZNSIIDFFYDQNKG-UHFFFAOYSA-N	306.406	1.920	50	20	DDGD	
CC(C)(C)Oc1ccccc1CNCc1ccc(B(O)O)o1	585027341	QTEJFXKTHVABLZ-UHFFFAOYSA-N	303.167	1.427	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2nnc(N)o2)cc1	491162353	RMRMDZBSYMPOQC-YRNVUSSQSA-N	313.317	1.274	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccccc1CSc1nc[nH]n1	737819868	VNQJRWATKZKSHM-UHFFFAOYSA-N	320.378	1.013	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)/C=C\c2ccc3[nH]ccc3c2)n[nH]1	492260452	MGGHAFAPQWNDCE-HYXAFXHYSA-N	309.329	1.674	50	20	DDGD	
CCOC(=O)NNC(=O)C(C)(C)c1ccc2c(c1)OCCO2	493606009	QPXUVAFLTTYNBV-UHFFFAOYSA-N	308.334	1.513	50	20	DDGD	
COc1cc(C(=O)NCB(O)O)cc(Cl)c1OCC(C)C	585058902	SUXGZIBZIGATRB-UHFFFAOYSA-N	315.562	1.125	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1nnc2ccccc2c1O	732271361	HVKPLPOJPJWLQH-UHFFFAOYSA-N	300.318	1.287	50	20	DDGD	
CC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)[C@@H]1C[C@H]2CC[C@H]1O2	834929181	JQQWVEVTRAYYKZ-HZSPNIEDSA-N	318.333	1.850	50	20	DDGD	
CO[C@H](CNCc1ccc(B(O)O)cc1)c1ccccc1Cl	585028311	IQFQVPVQSCFGHJ-MRXNPFEDSA-N	319.597	1.497	50	20	DDGD	
COC(=O)C(C)(C)CCNC(=O)/C(C#N)=C\c1cnn(C)c1	491137437	XOKWPIJWAYGTOZ-GHXNOFRVSA-N	304.350	1.033	50	20	DDGD	
CCC(COC)=NNC(=O)c1nn(-c2ccccc2)cc1O	735972891	XNMZGVXDWMTVIQ-UHFFFAOYSA-N	302.334	1.720	50	20	DDGD	
CC[C@](C)(CNC(=O)NNc1ccc(-n2cccn2)nn1)OC	838661529	NPJGRVBNKIGJJD-CQSZACIVSA-N	319.369	1.104	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1ccc(Cn2cccn2)o1	734261768	DMKUESUTUCMWDN-UHFFFAOYSA-N	318.724	1.725	50	20	DDGD	
OB(O)c1ccc(CNCC2(c3ccccn3)CCC2)c(F)c1	585040460	KTQDVOUBBLKLBY-UHFFFAOYSA-N	314.169	1.112	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNC(=O)c1ccc(Cl)cc1	838775817	LVSOTPCDTFLQOY-NEPJUHHUSA-N	311.769	1.852	50	20	DDGD	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1cccc(B(O)O)c1	584912250	LVQMNIQAXANJPP-WQVCFCJDSA-N	319.210	1.679	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1c(C)cc(C)nc1C	908067715	FDDBSMFCZZBLIV-UHFFFAOYSA-N	323.393	1.557	50	20	DDGD	
C[C@H](CNCc1ccc(B(O)O)cc1)c1ccc(F)c(F)c1	585026161	CMSORVMHURBURV-LLVKDONJSA-N	305.133	1.538	50	20	DDGD	
C[C@@H]1Oc2cc(F)ccc2[C@@H]1NCc1ccccc1B(O)O	585039743	BHIMPHPEQJPOCH-MGPLVRAMSA-N	301.126	1.117	50	20	DDGD	
CCc1cccc(OCC(=O)NNC(=O)[C@@H]2CCCCO2)c1	833262251	VEBHSHPGLYZPNL-AWEZNQCLSA-N	306.362	1.344	50	20	DDGD	
O=C(NN[C@H](C(=O)O)c1cccnc1)c1cc2ccccc2o1	833149128	GAEBJXSEKFOTLU-AWEZNQCLSA-N	311.297	1.888	50	20	DDGD	
Cc1nc(CC(C)C)c(NC(=O)c2cccc(B(O)O)c2)s1	584961808	BARRDWLZDFDXRO-UHFFFAOYSA-N	318.207	1.582	50	20	DDGD	
O=C(O)NCCCC(=O)NNc1ccc(Br)nc1	739957296	QALCPCGNCFZYAD-UHFFFAOYSA-N	317.143	1.335	50	20	DDGD	
C[C@@H](CNCc1ccc(B(O)O)cc1)Oc1cccc(F)c1	585025956	AIPDCPXPVHZELW-LBPRGKRZSA-N	303.142	1.063	50	20	DDGD	
C[C@@H](CNCc1cccc(B(O)O)c1)Oc1cccc(F)c1	585026386	GFIRHBSXBMEELI-LBPRGKRZSA-N	303.142	1.063	50	20	DDGD	
CC(C)(C)NC(=O)CCNC(=O)NNc1ncc(F)cc1F	838238938	GXZDDXFKPQNMQK-UHFFFAOYSA-N	315.324	1.291	50	20	DDGD	
Cc1cccc(-n2nnc(C(=O)NNc3cnccn3)c2C)c1	734244568	NOMOCIAGDHKOFP-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CCCCO2)cc([N+](=O)[O-])c1O	834987731	ATVUMNULXSVFOL-LLVKDONJSA-N	323.305	1.328	50	20	DDGD	
C=CC(C)(C)CNC(=O)NNC(=O)COc1ccc(OC)cc1	838665318	PIDIEWMKBLYHHZ-UHFFFAOYSA-N	321.377	1.617	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCO[C@@H](c2ccccc2F)C1	732200244	YLNMXNMYPAOLAO-SMDDNHRTSA-N	323.368	1.145	50	20	DDGD	
O=C(CSc1ccccc1[N+](=O)[O-])NNC(=O)C1CCC1	732141907	OOJQPPSJNYVSGG-UHFFFAOYSA-N	309.347	1.634	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)OCC(C)C)cc1C	915263361	IPZDGIWLFRJIIB-CQSZACIVSA-N	322.405	1.891	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(Br)cc1F	910176611	AHCHQDNEFRGEDJ-SSDOTTSWSA-N	305.147	1.546	50	20	DDGD	
Cc1cc(C(=O)NN=C2CCS(=O)(=O)C2)c2ccccc2n1	912783607	KWRHFRWHTWUJIG-UHFFFAOYSA-N	317.370	1.448	50	20	DDGD	
CCn1ccnc1C(C)=NNC(=O)COCc1ccccc1	834959101	LNSAKBMBVRJYER-UHFFFAOYSA-N	300.362	1.960	50	20	DDGD	
CO[C@@H]1COCC[C@@H]1CNC(=O)NNc1c(C)cccc1F	838661704	ZNPLIXLJZBUJRJ-DGCLKSJQSA-N	311.357	1.812	50	20	DDGD	
C[C@@H](CN1CCCCC1)NC(=O)NNC(=O)CC(F)(F)F	918064696	HTEUZLJGSULQRK-VIFPVBQESA-N	310.320	1.144	50	20	DDGD	
O=C(NCC(Cl)Cl)C1CCC(NC(=O)C2CC2)CC1	848384337	HTKKZVQOVSRJIS-UHFFFAOYSA-N	307.221	1.991	50	20	DDGD	
COC(=O)CCCNC(=S)NNC(=O)CC1CCCC1	749458891	IJSZOAKZYLIWRR-UHFFFAOYSA-N	301.412	1.015	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NC[C@H]1CCCC[C@@H]1C	748624743	JVGUHNCGAVKGRP-YNEHKIRRSA-N	315.414	1.195	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)cnn1C	915617982	IYJIMCVYMFSRCY-UHFFFAOYSA-N	306.753	1.711	50	20	DDGD	
O=C(NN=Cc1cnc2cnccn12)c1c[nH]c2ccccc12	746366234	KRULMLVWGSGQHJ-UHFFFAOYSA-N	304.313	1.975	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H]1CCO[C@@H](c2ccccc2)O1	847391697	FPTPFOKISBWAOW-UKRRQHHQSA-N	321.377	1.621	50	20	DDGD	
CN(C)c1ccnc(C(=O)NNC(=O)c2ccccc2F)c1	749367403	HNEAEXQEQDCOGW-UHFFFAOYSA-N	302.309	1.362	50	20	DDGD	
Cc1cccc2c(CC(=O)NNC(=O)[C@H]3CCO[C@@H]3C)c[nH]c12	843654178	ZQUSHLIYEOOFSQ-YPMHNXCESA-N	315.373	1.591	50	20	DDGD	
CN1CC[C@H](CNC(=O)[C@@]2(C)C[C@H]2Br)CC1=O	911275633	PTTVZMDRMMYODU-SBMIAAHKSA-N	303.200	1.145	50	20	DDGD	
CC(=NNC(=O)Cc1nc(C)cs1)c1cc2n(n1)CCC2	841615636	AJKAOWIJESYTHK-UHFFFAOYSA-N	303.391	1.677	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cnc(S)n1-c1ccc(F)cc1	746005995	IEYNBTAINGMRFA-UHFFFAOYSA-N	323.353	1.216	50	20	DDGD	
Cc1ccncc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	741882918	PEQCYXKKGMPEQS-UHFFFAOYSA-N	300.274	1.373	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2c[nH]c3ccccc3c2=O)n1	740114086	OYNYUXJBDRZISD-UHFFFAOYSA-N	324.344	1.141	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1cccnc1Cl)C1CCCC1	840478420	BLVQYWXAWQHKJX-LBPRGKRZSA-N	310.785	1.873	50	20	DDGD	
CC(C)[C@]1(C)C[C@@H]1C(=O)NNc1ccccc1S(N)(=O)=O	842262063	PXQVNHFOLOXNTF-YGRLFVJLSA-N	311.407	1.459	50	20	DDGD	
CCc1ccc(CCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	843650142	ZEMNEPJOOQSTAY-IUODEOHRSA-N	304.390	1.754	50	20	DDGD	
Cc1noc(C2CCC(=NNC(=O)[C@@H]3CCO[C@H]3C)CC2)n1	842562826	ZJNNSESIMASRMT-PXVZOOEYSA-N	306.366	1.933	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCN(c2ccccc2)C1	843662400	SJSYZLCLKCPSTP-GZBFAFLISA-N	317.389	1.085	50	20	DDGD	
CCn1nccc1NC(=O)NNC(=O)COc1ccccc1F	757903384	UNCYRZITDUOJBO-UHFFFAOYSA-N	321.312	1.274	50	20	DDGD	
CCc1nn(C)c(CC)c1C=NNC(=O)[C@H](C)OCCOC	755764878	UUDGZWPPNUWTHJ-NSHDSACASA-N	310.398	1.047	50	20	DDGD	
O=C(CCCn1cnc2ccccc21)NNC(=O)NCC1CC1	920858953	BAAMZSDLWFEGRY-UHFFFAOYSA-N	315.377	1.557	50	20	DDGD	
CCCSCC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855830619	MDDGBIJIUVRWSD-UHFFFAOYSA-N	317.455	1.220	50	20	DDGD	
COc1ccc2c(c1)C[C@@H](C(=O)NCCCSC#N)CO2	854362862	FJAWKUAEWLBZJA-GFCCVEGCSA-N	306.387	1.967	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)OCC(F)(F)F)cc1	856026635	FWEIFVBLEGOOOP-UHFFFAOYSA-N	317.223	1.257	50	20	DDGD	
COC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)CC(F)(F)F)C1	751063632	ORKNUQRZNIKHRQ-YUMQZZPRSA-N	310.272	1.066	50	20	DDGD	
C[C@]1(CNc2ncc([N+](=O)[O-])c(N)n2)C[C@H]1Br	856784717	AUUVFTKXPSXDGT-HZGVNTEJSA-N	302.132	1.552	50	20	DDGD	
Cn1c(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)cc2ccccc21	853284543	FZIKYQYPTZEJOV-LBPRGKRZSA-N	319.386	1.063	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)C[C@H]1COCCO1	855677680	BENJZYRRWFIKJI-LBPRGKRZSA-N	315.801	1.226	50	20	DDGD	
CCN1CCC[C@H](NC(=O)[C@]2(C)C[C@@H]2Br)C1=O	928864607	FSRGZETYCYCKGA-HOTUBEGUSA-N	303.200	1.287	50	20	DDGD	
CCNC(=O)NN=Cc1ccccc1I	920828826	TYLTVWDQXOZBIN-UHFFFAOYSA-N	317.130	1.944	50	20	DDGD	
O=C(CNC(=O)C1CC1)NNc1cc(C(F)(F)F)ccc1F	754150381	RNGHUANSNKWSOK-UHFFFAOYSA-N	319.258	1.814	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2cccc(Cl)n2)[C@H]2CCCC[C@H]2N1	854602360	CHKSUVBJQFQFFG-OUAUKWLOSA-N	322.796	1.873	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)CSCc1ccncc1)C1CC1	855103166	RUNYYBJNGXDYLC-JTQLQIEISA-N	324.475	1.609	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CCCN(C(N)=O)C2)ccc1Cl	928342491	YDCNUICDJFNLNQ-SNVBAGLBSA-N	310.785	1.882	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1oc2ccc(OC)cc2c1C	854928305	SBEDREDMZUEOIC-UHFFFAOYSA-N	307.375	1.831	50	20	DDGD	
C=CC[C@@H]1CCCN(C(=O)NNC(=O)c2cccc(F)n2)C1	852713400	VNYUZBRFEYCWNP-LLVKDONJSA-N	306.341	1.863	50	20	DDGD	
CC(C)N1CC(=NNC(=O)c2cc([N+](=O)[O-])ccc2O)[C@@H](C)C1	754259892	REESRCWVFODJHD-JTQLQIEISA-N	320.349	1.746	50	20	DDGD	
C[C@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)c1cccc(C#N)c1	759748214	VGUJITAAQPENPD-YPMHNXCESA-N	316.361	1.317	50	20	DDGD	
CNC[C@@H]1CCCN1C(=O)NC[C@@]1(C)C[C@@H]1Br	857106093	YNVZCKRAZHTWJI-JBLDHEPKSA-N	304.232	1.553	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCC(C)(C)C[C@@H](C)O)c1	858705948	JXHGCEJQPYYOJB-SNVBAGLBSA-N	313.423	1.798	50	20	DDGD	
C[C@@H]1C[C@@H]1C=NNC(=O)Cc1csc(N2CCOCC2)n1	758374334	RMSCRMWFOVWJCM-GHMZBOCLSA-N	308.407	1.280	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)/C=C/SC)cc1	751457709	KFCZFHAYHRWMJS-USKTWTLRSA-N	324.402	1.877	50	20	DDGD	
COc1ccnc(NNC(=O)c2cccn(CC(C)C)c2=O)n1	930078112	ZCRCTTJPQNBYEZ-UHFFFAOYSA-N	317.349	1.060	50	20	DDGD	
Cc1ccc([C@@H](C)NCc2ccc(B(O)O)cc2)cc1[N+](=O)[O-]	863888661	TUWQORZUSLHJHL-GFCCVEGCSA-N	314.150	1.434	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@]1(C)CCOc2ccccc21	932231200	XRJIVDPWSWOXAD-MRXNPFEDSA-N	314.345	1.220	50	20	DDGD	
O=C(Cn1cc2ccccc2n1)NN=c1cc[nH]cc1Cl	768450962	HMZHHUAFAZNSGP-UHFFFAOYSA-N	301.737	1.650	50	20	DDGD	
C[C@H](NNC(=O)[C@H]1CC(c2ccccc2)=NO1)C(F)(F)F	862309412	LUNGEYAXFHENNZ-GZMMTYOYSA-N	301.268	1.751	50	20	DDGD	
CCCOc1cccnc1C(=O)NNc1nc2ccccn2n1	760532211	QRVGKULQAZWRNW-UHFFFAOYSA-N	312.333	1.670	50	20	DDGD	
O=C(CCOC[C@H]1CCCO1)NNc1nc2ccccc2[nH]1	768495836	PILCWAKHQHAGNJ-LLVKDONJSA-N	304.350	1.592	50	20	DDGD	
CC(C)(C(N)=O)C(=O)NNC(=O)c1c(Cl)cccc1Cl	767859358	FTISCARXWJSYJK-UHFFFAOYSA-N	318.160	1.266	50	20	DDGD	
CC(C)c1ccc(C=NNC(=O)[C@@H]2CCC(=O)N2)cc1[N+](=O)[O-]	863147113	YVQFLNAZSYRPIO-LBPRGKRZSA-N	318.333	1.447	50	20	DDGD	
Cc1cc2ncc(C(=O)NN[C@H](C)C(F)(F)F)c(C)n2n1	862307021	RWMAUHHJGKUGPP-MRVPVSSYSA-N	301.272	1.531	50	20	DDGD	
C[C@@H]1C[C@H](NS(=O)(=O)CC(C)(C)CCl)CN1C1CC1	866943570	JLQBHHDZCQGDHM-MNOVXSKESA-N	308.875	1.796	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)NC1CC=CC1	760212166	RBOUWUKHGZAREA-UHFFFAOYSA-N	320.305	1.023	50	20	DDGD	
CCOc1cccc(NC(=O)NNC(=O)Cc2cccnc2)n1	765316523	UMEPGQNTEVIUHF-UHFFFAOYSA-N	315.333	1.271	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1ccc2nnc(O)n2c1	764562901	WBUHRDPXEUPWHL-UHFFFAOYSA-N	304.697	1.240	50	20	DDGD	
CSCCNC(=O)NNc1ccccc1S(C)(=O)=O	765643397	GNOQHZXJQLJHBS-UHFFFAOYSA-N	303.409	1.079	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCCCNC(=O)C1CCC1	866918773	JHAOFZMBFAOISV-UHFFFAOYSA-N	324.874	1.477	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cnc([C@H]2CCCO2)s1	760377359	VILAVFIHZPOWKV-ZCFIWIBFSA-N	323.296	1.708	50	20	DDGD	
COC(=O)CC1CCC(=NNC(=O)c2ccc(O)c(O)c2)CC1	863109103	AJGQJMHVJLPHGG-UHFFFAOYSA-N	320.345	1.937	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1cnn(C2CCCC2)c1	872339540	OXFYEWGENUYZJY-UHFFFAOYSA-N	314.411	1.354	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1ncoc1C1CC1	1117741695	DCCNFCKBNVXXQS-UHFFFAOYSA-N	315.333	1.229	50	20	DDGD	
CCOC(=O)c1ccc(C=NNC(=O)CCN(CC)CC)[nH]1	872335678	UXHDQPFBEWLGLX-UHFFFAOYSA-N	308.382	1.373	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2ccccc2C(F)(F)F)C1=O	772010244	PYYKSVZCDDCSPW-MRVPVSSYSA-N	301.268	1.627	50	20	DDGD	
CN(C)CCOc1ccc(/C=C/C(=O)NNC(=O)C2CC2)cc1	779580289	YKNIISPZACUKPL-BJMVGYQFSA-N	317.389	1.198	50	20	DDGD	
COC1CC(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)C1	1118905716	YLVBLRDFBVZZPW-TTXORMCVSA-N	310.325	1.165	50	20	DDGD	
NC(=O)N[C@H](CC(=O)NNc1ccccn1)c1cccs1	777473826	QMPLMTLCLFTEKY-SECBINFHSA-N	305.363	1.386	50	20	DDGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1ccc(O)nn1	1116248728	NTQRSXCCCOJWAI-UHFFFAOYSA-N	305.241	1.414	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCc2cc(F)ccc21	1118773499	MKWDZRAOMNFDOA-WFBYXXMGSA-N	306.337	1.428	50	20	DDGD	
N#CSCCCNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1	773585268	MBXOJIIIYWAQDB-NSHDSACASA-N	307.375	1.349	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccc(OC2CCCC2)cc1	1116635171	NSZOMZBARBUDEV-UHFFFAOYSA-N	307.350	1.543	50	20	DDGD	
CNC(=O)NNC(=O)c1csc(Cc2ccc(Cl)cc2)n1	1115889591	ZZHDRCIQGZXGLZ-UHFFFAOYSA-N	324.793	1.961	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc2[nH]ccc2c1	772099321	UWJMLHIRCWVHGD-SECBINFHSA-N	303.318	1.271	50	20	DDGD	
Cc1cnccc1C(=O)NNC(=O)COc1ccc(C#N)cc1	770213382	ZLDVLETXLNVVNF-UHFFFAOYSA-N	310.313	1.102	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)CNc1ccccc1F	770590917	JEHLLOLNCAFGJF-UHFFFAOYSA-N	303.341	1.684	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)COc1cc(C)ccc1C)C(C)C	770211199	AMUSJOFLLSRAOL-OAHLLOKOSA-N	308.378	1.501	50	20	DDGD	
C[C@@H](C(=O)NNc1ccnc(Br)c1)n1cccn1	771540297	IKWNTNWURUTJTQ-QMMMGPOBSA-N	310.155	1.745	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)COc2cccc(C)c2)o1	770814032	UKXHMALTNXAWNT-UHFFFAOYSA-N	316.313	1.631	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc(C(C)=O)o1	772245595	NCPPZSODFQOARW-UHFFFAOYSA-N	302.286	1.566	50	20	DDGD	
O=C(CO)NN=CC1=Cc2cc(Br)ccc2OC1	776780486	SRVMLOGRMOPQLI-UHFFFAOYSA-N	311.135	1.319	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=O)c1ccc[nH]1	782071964	UMXYYQVBWOKBJM-UHFFFAOYSA-N	319.277	1.398	50	20	DDGD	
CC(=O)NC1CCC(NS(=O)(=O)CCCCCl)CC1	780762850	CRCVXWLRQCPVRF-UHFFFAOYSA-N	310.847	1.372	50	20	DDGD	
CSc1ccccc1CC(=O)NNC(=O)C1CCOCC1	883067741	UDOHOEMTLKGKIM-UHFFFAOYSA-N	308.403	1.525	50	20	DDGD	
CCC(C)(C)N[C@H](C)C(=O)NNC(=O)c1ccc(C)c(O)c1	882049784	HFRNGLPPDAIWBU-LLVKDONJSA-N	307.394	1.628	50	20	DDGD	
C=C/C=C\CCNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	883825240	IZBDWOKHACVERN-NQHOJNORSA-N	317.345	1.289	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2ncoc2C)c1	780845244	ZVQFFMROHAHZFP-UHFFFAOYSA-N	304.306	1.596	50	20	DDGD	
COc1ccc(F)cc1NC(=O)C(=O)NNc1ccc(C)nn1	783950463	OQMCZRBSYOPCFP-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
CN(C)[C@@H]1CCCC(=NNC(=O)[C@@H]2COc3ccccc3O2)C1	788408657	VMMAWWBBCIIDGS-CJNGLKHVSA-N	317.389	1.803	50	20	DDGD	
COC[C@H](C)CC(=O)NNc1nnc(-c2ccccn2)s1	788568210	ZGFWSPSKQZCQMT-SECBINFHSA-N	307.379	1.716	50	20	DDGD	
CC(C)n1cc(NC(=O)C(=O)NN(C)c2ccccc2)cn1	783425843	WGYUXGMVGUEJNF-UHFFFAOYSA-N	301.350	1.570	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CCCN2C(=O)NC(C)C)nc1	781535934	LDVJDJSXCZIFKW-LBPRGKRZSA-N	321.381	1.116	50	20	DDGD	
Cc1nc(NC(=O)NNC(=S)Nc2ccccc2F)no1	781111532	MZXJWUHPGHTRGI-UHFFFAOYSA-N	310.314	1.540	50	20	DDGD	
Cc1nn(-c2ccccc2)c(N)c1C=NNC(=O)c1cccn1C	794887687	AUKBGHRIBJXXEQ-UHFFFAOYSA-N	322.372	1.865	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)NCC(F)(F)F)cc1	798314036	UMLFREVOFXEVGH-UHFFFAOYSA-N	303.240	1.396	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@H](O)C(C)(C)C)cc1	792802219	GSNZZXQNLYDLJK-AWEZNQCLSA-N	308.378	1.182	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCSc3c(F)cccc32)CC1	790174958	UMLUXSHOAKWOPH-UHFFFAOYSA-N	322.409	1.983	50	20	DDGD	
C[C@H](CBr)COC(=O)CCC(=O)c1cnn(C)c1	796147041	KGXTWNKMPOTSKC-SECBINFHSA-N	317.183	1.957	50	20	DDGD	
CC(=NNC(=O)c1cccn1C)c1ccc(C(=O)N(C)C)cc1	792960379	TZKAOOYXJIYTDR-UHFFFAOYSA-N	312.373	1.881	50	20	DDGD	
O=C1NC[C@@H]2CN(Cc3ccc(OCCCCl)cc3)CCN12	798184756	DSZIKXYTYYLQNR-CQSZACIVSA-N	323.824	1.904	50	20	DDGD	
C=C(CBr)CN[C@@H](C(=O)OCC)C1CCOCC1	791489478	CBXRXKMDAMGXGW-GFCCVEGCSA-N	320.227	1.885	50	20	DDGD	
CCn1nc(C)c(CNS(=O)(=O)CBr)c1C	782434678	MJVWKINDANHJOO-UHFFFAOYSA-N	310.217	1.292	50	20	DDGD	
COc1cccc(O)c1C=NNC(=O)CCN1CCC(C)CC1	1317929260	AYSKUZAWRDECOL-UHFFFAOYSA-N	319.405	1.973	50	20	DDGD	
O=C(NNC(=O)c1cnn2ccncc12)c1ccccc1Cl	1320805350	FIMHDFJEFDELCH-UHFFFAOYSA-N	315.720	1.458	50	20	DDGD	
C[C@]1(CO)CCCN(C(=O)NC[C@]2(C)C[C@@H]2Br)C1	1328495599	XQMULVJCZJFXKL-DRZSPHRISA-N	319.243	1.964	50	20	DDGD	
O=C(O)c1cc(C=NNC(=O)c2cncn2-c2ccccc2)c[nH]1	1324253910	NJOCUDMFMIRMDN-UHFFFAOYSA-N	323.312	1.663	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)c2n[nH]c3c2CCCC3)[C@H]1SC	1324051104	NTALABMDJXZXFI-GXTWGEPZSA-N	322.434	1.915	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCCN2CC(C)C)cc1	1335366162	KLCRJINRLBQNMN-HNNXBMFYSA-N	319.405	1.577	50	20	DDGD	
CC(C)[C@@H](C#N)C=NNC(=O)COc1ccccc1[N+](=O)[O-]	1340953693	YXFRUVVAVKJIJI-NSHDSACASA-N	304.306	1.871	50	20	DDGD	
C[C@@H]1CCN(C(=O)C(=O)NC[C@]2(C)C[C@H]2Br)C1	1347968511	XQKREIPJCJBKAS-LNLATYFQSA-N	303.200	1.145	50	20	DDGD	
N#Cc1ccc(F)c(CNC(=O)NNC(=O)C2CCCC2)c1	1341261829	HJEFAKVUGMWWNO-UHFFFAOYSA-N	304.325	1.718	50	20	DDGD	
N#Cc1cccc(C2(C(=O)NNC(=O)c3ccccn3)CC2)c1	1340781252	NVRMEJRNCFKURU-UHFFFAOYSA-N	306.325	1.446	50	20	DDGD	
CCNC(=O)NNC(=O)C(C)(C)[C@@H]1CCC[C@H](C(F)(F)F)N1	1347395319	OXKURAYJNMABHR-DTWKUNHWSA-N	324.347	1.436	50	20	DDGD	
COc1cccc(C[C@H](O)C(=O)NN[C@@H](C)C(F)(F)F)c1	1351617962	RWLPHSAXYRQZEJ-KWQFWETISA-N	306.284	1.170	50	20	DDGD	
C[C@@H]1CCCN1C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1351192576	RDACTFVGWXGNAL-KBVBSXBZSA-N	303.200	1.287	50	20	DDGD	
O=C(NC[C@@H]1CCCCS1(=O)=O)C1CCC(Cl)CC1	1519872434	YGYSXYVAGXQABO-MCIGGMRASA-N	307.843	1.868	50	20	DDGD	
O=C(Cn1cc(C2CC2)cn1)NNc1ccc(C(=O)O)cc1F	1601383219	AWVPZEXUCLVSTA-UHFFFAOYSA-N	318.308	1.741	50	20	DDGD	
O=C(O)C[C@@H](CNC(=O)NNC(=O)c1ccccc1F)C1CC1	1601891843	MSVIQTAPAKKHQU-JTQLQIEISA-N	323.324	1.271	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	1606528372	CFNLAQZDDHGXAE-MELADBBJSA-N	309.325	1.809	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)NCC[C@@H]2CCOC2)cc1	1608780828	FYOSJJJVACDTHS-GFCCVEGCSA-N	307.350	1.366	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1ccc(C(=O)O)cc1F	1601544074	QRKBLUKLDFNRMM-UHFFFAOYSA-N	321.264	1.261	50	20	DDGD	
Cn1cnc(/C=C/C(=O)NNc2ccc(F)c(C(=O)O)c2)c1	1600990240	MABQEPFQZPTENQ-HWKANZROSA-N	304.281	1.414	50	20	DDGD	
O=C(O)CCc1ccc(NC(=O)NNc2ncccn2)cc1	1602040556	GOALKZMIWQYTCL-UHFFFAOYSA-N	301.306	1.642	50	20	DDGD	
CCOCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cl)CC	1800070048	WAFDABUZJRBTMJ-YVECIDJPSA-N	316.829	1.679	50	20	DDGD	
O=C(O)Cc1occc1C(=O)NNc1ccc([N+](=O)[O-])cc1	1610798835	UHLXEEZVBDLOQP-UHFFFAOYSA-N	305.246	1.572	50	20	DDGD	
O=C(NN=Cc1ccsc1Cl)[C@H]1CN2CCC[C@@H]2CO1	1549322555	ZZOWJFVFFHNCMI-GHMZBOCLSA-N	313.810	1.715	50	20	DDGD	
O=C(NN=C1CCc2c(O)cccc21)[C@@H]1CN2CCC[C@H]2CO1	1549316479	GQVBFYYXQRQOGG-ZBEGNZNMSA-N	315.373	1.022	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@@H]1C=NNC(=O)N1CCOCC1	1552757367	DKWYXFYBGNVGSQ-CHWSQXEVSA-N	321.381	1.008	50	20	DDGD	
CC1(c2ccccc2C(=O)NNC(=O)C2CCNCC2)CC1	1576565313	UIGVJPZMTYTKJU-UHFFFAOYSA-N	301.390	1.499	50	20	DDGD	
CN[C@@H](CC(C)C)C(=O)NNC(=O)c1cccc2cccnc12	1578754083	HKEORDGPFZHPEI-AWEZNQCLSA-N	314.389	1.630	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NC[C@H]1CCO[C@H]1C(=O)O	1589699587	MOCKRSXRAKEYII-HLTSFMKQSA-N	322.199	1.402	50	20	DDGD	
NCc1ncc(C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)s1	1580355255	YOMRNLZDYQQBBT-UHFFFAOYSA-N	311.298	1.406	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)CC2CCC2)C1	1847002041	MKVUOYMBAMEJEZ-GFCCVEGCSA-N	302.777	1.914	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C[C@H](C)CC(=O)O)c1ccccc1	1594735744	FZGFBBDCXIHOKA-WCQYABFASA-N	306.362	1.829	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NNc1ccccc1C(=O)O	1595639421	YIQNKGFEJNSACR-NSHDSACASA-N	308.338	1.055	50	20	DDGD	
C=CCC(=O)N1CC2(CCCN2C(=O)[C@@H](F)Br)C1	1845220508	WSJTUYZKQIAXSP-SNVBAGLBSA-N	319.174	1.456	50	20	DDGD	
C[C@H]1CN(C(=O)[C@@]2(C)C[C@H]2Br)CC[C@H]1C(=O)O	1599915039	NNLHSSWNMIWQGH-HAYRHPOISA-N	304.184	1.729	50	20	DDGD	
O=C(NNc1cccc(F)c1)c1ccc(-c2nn[nH]n2)cc1F	1593167838	SSCYJKBZGFWJDD-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccsc2-c2nn[nH]n2)n1	1591957694	AFQAZTVRKSHQGN-UHFFFAOYSA-N	316.350	1.092	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)nc1	1599598127	KRXSXYLMBJEGMH-ZNIXKSQXSA-N	317.345	1.446	50	20	DDGD	
Cn1cc(C(=O)O)cc1C=NNC(=O)c1cn2c(n1)CCCC2	1776105348	ABDGBABYFFKGOQ-UHFFFAOYSA-N	315.333	1.020	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1c(C)nn(C)c1Cl	14419376	YKVKBSUWSRWIRY-UHFFFAOYSA-N	306.753	1.765	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)c1cc(Cl)ccc1O	161725421	ONYQIFNTDRGRED-MRVPVSSYSA-N	300.742	1.622	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NNc1ccc(C(F)(F)F)cc1	153742010	VKQYWCLIVXCCHX-UHFFFAOYSA-N	324.324	1.973	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1ccc(-n2cccn2)cc1	156306387	NLESMOOQUHRYLU-UHFFFAOYSA-N	320.316	1.296	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)c2ccc(C#N)cc2)CCCO1	154572559	CAZWEZOKTAAWGJ-OAHLLOKOSA-N	302.334	1.071	50	20	DDGD	
Cc1cc(C)c(NNC(=O)C(=O)Nc2cc(C)on2)c(C)c1	159424994	HIMXXGRLXOUASL-UHFFFAOYSA-N	302.334	1.990	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1coc(-c2ccccc2)n1	159370006	YZVKVGNNIFESSE-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
C=CC(=O)N1CCCc2c(C(=O)NNC(=O)C3CC3)cccc21	2088599845	DFEILIUNFFWWLX-UHFFFAOYSA-N	313.357	1.323	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NNc2ccnc3ccccc23)C1	106924562	UNEXXKBWOPHAOA-ZDUSSCGKSA-N	312.373	1.936	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cn(-c2ccccc2)nc1C	102498159	KVYNKBBWYWLFIE-UHFFFAOYSA-N	315.402	1.476	50	20	DDGD	
CC[C@@H](C)NC(=O)CCNC(=O)NNC(=O)c1ccccc1F	56917293	VVDJAYPUHLVRGB-SNVBAGLBSA-N	324.356	1.075	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@@H](C)Cn2cccn2)n1	50151009	SQFMXADZPPLKSJ-SNVBAGLBSA-N	303.370	1.252	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNC(=O)c1cc(Cl)ccc1O	10624886	JRWYZXTVICLXOE-UHFFFAOYSA-N	323.736	1.654	50	20	DDGD	
CCCC[C@H](CC)CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1	117125871	ZWLZIRSBLYLIOZ-NWDGAFQWSA-N	318.439	1.175	50	20	DDGD	
COCCCC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	112823937	RSIHKKWSSDNBLM-UHFFFAOYSA-N	302.334	1.060	50	20	DDGD	
O=C(C[C@H]1CCCO1)NNC(=O)c1cc(-c2cccs2)n[nH]1	178005199	NEKIOBJOCPKXSN-SECBINFHSA-N	320.374	1.468	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)NC(N)=O)ccc1Br	114888878	CXGNKLHLEQQCCT-ZETCQYMHSA-N	315.171	1.257	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCc2ccc(Cl)cc2)on1	112729629	MAYISRWNROPJSO-UHFFFAOYSA-N	308.725	1.781	50	20	DDGD	
CCc1n[nH]c(=O)c(C(=O)NNc2ccc(F)cc2)c1CC	177354298	TTXIUVBSJBOCBX-UHFFFAOYSA-N	304.325	1.791	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCCN(CC)CC)c1ccccc1	111790289	KOFJHUIRBGBNEI-HNNXBMFYSA-N	320.437	1.852	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)c2cnn(C)c2)c2ccccc21	172129804	HTZIAUOTTDPDKA-UHFFFAOYSA-N	311.345	1.470	50	20	DDGD	
Cc1cc(N(C)C)ccc1CNC(=O)NNC(=O)C(C)(C)C	115680906	UTHUXPCWELWERB-UHFFFAOYSA-N	306.410	1.938	50	20	DDGD	
COCCn1cc(C(=O)NNc2cccnn2)c2ccccc21	172371497	UFSXEYMXWNZXPG-UHFFFAOYSA-N	311.345	1.835	50	20	DDGD	
N#CCc1cccc(C(=O)NNC(=O)CNc2ccccc2)c1	170929948	BHQZAQWKAZJIBK-UHFFFAOYSA-N	308.341	1.626	50	20	DDGD	
O=C(CC1CCOCC1)NNC(=O)c1cccc2ncccc12	117254996	FIPHKKWTDVPBLJ-UHFFFAOYSA-N	313.357	1.813	50	20	DDGD	
CC(C)CCN1CCC(CNC(=O)NNc2ncccn2)CC1	175767790	LGYHOSCYXVIKMJ-UHFFFAOYSA-N	320.441	1.861	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1CNC(=O)NNC(=O)Cc1ccncc1	176271047	YXXMAASYWAZBIQ-TZMCWYRMSA-N	304.394	1.781	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccc2ccccc2n1)N(C)C	126322735	ZFTPGHYFAWTPID-AWEZNQCLSA-N	300.362	1.336	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCOC[C@H]1CC(=O)c1ccco1	179038631	NFJDXVWPDBMIJD-RSKUSDAESA-N	318.329	1.524	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2ccc(C)cn2)cc1	126822677	ZQZZBRRVYBTNHZ-UHFFFAOYSA-N	313.357	1.792	50	20	DDGD	
CCC(=O)N1CCC(=NNC(=O)c2sc(N)nc2C)CC1	64306597	AEKSITBRGFDTBV-UHFFFAOYSA-N	309.395	1.152	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C[C@@H](C)c2c(C)n[nH]c2C)n1	126912087	JRHGHEFHEWXWAJ-MRVPVSSYSA-N	318.381	1.770	50	20	DDGD	
CNc1nnc(CC(=O)NNc2ccc3ccccc3n2)s1	184312496	XCJXBLKJWWDWIJ-UHFFFAOYSA-N	314.374	1.814	50	20	DDGD	
CCCCOC(=O)/C(C#N)=C\c1cn(Cc2cccnc2)nn1	181395792	FZFFMVDUWUKGQD-ZSOIEALJSA-N	311.345	1.972	50	20	DDGD	
Cc1ccc(NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cc1C	122126799	OZLWFNYBMXVTCY-AWEZNQCLSA-N	311.407	1.507	50	20	DDGD	
Cc1ccc(CCCC(=O)NNC(=O)C(=O)NC(C)C)s1	79685656	LDKBTVPASCREOC-UHFFFAOYSA-N	311.407	1.051	50	20	DDGD	
CCCCc1nnc(NC(=O)NNC(=O)c2cccnc2)s1	182880011	XPPYJKHCQDLHDA-UHFFFAOYSA-N	320.378	1.742	50	20	DDGD	
Cc1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)c1ccc[nH]1	123193290	JYRFBZOPAWXSOU-UHFFFAOYSA-N	320.736	1.376	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@@H](Cc1ccccc1)C1CC1	77646244	DXBFMEOWJDIQAD-GJZGRUSLSA-N	317.389	1.517	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNC(=O)Cn1ccc2ccccc21	125307543	HROMHSRBWLIXAQ-MRXNPFEDSA-N	303.362	1.340	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(N2CCCC2)cc1C	183033321	YNJQFGCQWNNVCR-UHFFFAOYSA-N	320.393	1.784	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1	120015567	DVOLXCRCADSJNE-UHFFFAOYSA-N	303.234	1.655	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)Cc2cccnc2)cc(O)n1	121455907	DNBYGYQMTKLVGW-UHFFFAOYSA-N	314.345	1.309	50	20	DDGD	
CC(C)(NC(=O)Nc1ccccc1)C(=O)NNc1cnccn1	186999082	HIUYFYQHJJWKNI-UHFFFAOYSA-N	314.349	1.520	50	20	DDGD	
CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)NNC(=O)c1ccc[nH]1	186240132	LZQBXCJAZMSNNV-AAEUAGOBSA-N	308.382	1.552	50	20	DDGD	
CN(C)CC(=O)NNC(=O)C1(Cc2ccccc2Cl)CC1	189698334	LTOLZCCWBOKCCN-UHFFFAOYSA-N	309.797	1.372	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2n[nH]c3c2CCC3)c1	131619232	GYHMWGIDMRTTBL-UHFFFAOYSA-N	313.361	1.039	50	20	DDGD	
CNC(=O)NNC(=O)CCc1ccccc1Br	48950025	ZKAQKLBFFMHKOL-UHFFFAOYSA-N	300.156	1.342	50	20	DDGD	
O=C(NNC(=O)c1ccn(-c2ccc(F)cc2)n1)NC1CC1	138634422	QGNOCYDMIYRLDF-UHFFFAOYSA-N	303.297	1.118	50	20	DDGD	
O=C(NNc1cccc(F)c1)c1cc(N2CCOCC2)ccn1	190247813	MIDGESYTONOPMG-UHFFFAOYSA-N	316.336	1.814	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCc3cccnc32)cc1	192466124	VEOGRURRTWRAGW-OAHLLOKOSA-N	320.352	1.834	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ncc(Cl)cc2Cl)CCN1	132991918	OFNBZQZTVTVTLF-ZCFIWIBFSA-N	303.149	1.358	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](c1ncc(C)s1)C1CC1	80454749	SFEBSOBWKFYCMK-LLVKDONJSA-N	312.395	1.270	50	20	DDGD	
O=C(O)c1ccc(S(=O)(=O)NCC(Cl)Cl)s1	380673089	CATBWLBICIFWHA-UHFFFAOYSA-N	304.176	1.528	50	20	DDGD	
COc1ccc(CCNC(=O)NNC(=O)OC(C)(C)C)cc1	42927470	CJJBOFFNVVTHTQ-UHFFFAOYSA-N	309.366	1.977	50	20	DDGD	
CC(C)C[C@H](C)NC(=O)NNc1ccc(-n2cccn2)nn1	133431379	NPVWDXICLIAAND-NSHDSACASA-N	303.370	1.723	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C[C@H]2CCCCO2)c1	86977830	YDWIZZBINQZKET-CQSZACIVSA-N	320.389	1.789	50	20	DDGD	
N#CCSCC(=O)NNC(=O)NCc1ccc(Cl)cc1	191614686	OAMGFYGZOONROI-UHFFFAOYSA-N	312.782	1.427	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1ccccc1C(F)(F)F	194899287	OMHJOVPPPWAIIP-UHFFFAOYSA-N	317.267	1.392	50	20	DDGD	
O=C1CCCC[C@@H](C(=O)NNc2nc(-c3ccccc3)no2)N1	194083953	QKXYMZOLMHCXOS-NSHDSACASA-N	315.333	1.239	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N(C)C[C@H]2CCOC2)cc(C#N)n1C	267445889	OXEISRQDEWABHV-WXYNBALXSA-N	312.373	1.607	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@@H](O)CC(C)(C)C	265308949	IGUIFQOHDQWLSN-NSHDSACASA-N	323.393	1.436	50	20	DDGD	
COC(=O)CCCNC(=O)NNC(=O)c1cc2ccccc2o1	267332147	MFZPOCZOTNZQEH-UHFFFAOYSA-N	319.317	1.330	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@H]1CC(=O)N(c2ccccc2F)C1	360446844	KWKLVSRASBCECY-NSHDSACASA-N	314.320	1.139	50	20	DDGD	
O=C(NNc1ccncc1)C1CCN(CC(F)(F)F)CC1	272478321	ASSINWSXAONIOM-UHFFFAOYSA-N	302.300	1.799	50	20	DDGD	
COc1nccnc1NNC(=O)c1cccnc1OCC(C)C	274087478	MQJJKOLQXQBZRF-UHFFFAOYSA-N	317.349	1.672	50	20	DDGD	
COC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)c2cccc(C)n2)C1	279806290	NDZCYDJLOMKTFJ-RYUDHWBXSA-N	319.361	1.130	50	20	DDGD	
CN(C)C(=O)c1cc(NC(=O)NNC(=O)CC(C)(C)C)ccn1	273566823	JSVVTQMJSDVUKF-UHFFFAOYSA-N	321.381	1.372	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cn(C)c(=O)c2ccccc12	277135674	UUFZNKHBQREYBK-UHFFFAOYSA-N	301.346	1.346	50	20	DDGD	
CCC(C)(C)N[C@@H](C)C(=O)NNc1nc(O)c2ccccc2n1	274990918	MFBZZYSUBBSLAG-JTQLQIEISA-N	317.393	1.945	50	20	DDGD	
N#CC1=CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1	273221071	UYXZLNDGNODKLZ-CYBMUJFWSA-N	303.318	1.490	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(F)cc(Cl)c1	276047041	BCKHDJOUMRACJZ-UHFFFAOYSA-N	316.720	1.110	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CCO[C@H](C)C2)c1	272693816	WOOPEEDRGVJETG-ZYHUDNBSSA-N	307.350	1.667	50	20	DDGD	
Cc1noc(CCC(=O)NNc2cccc(F)c2[N+](=O)[O-])n1	279502915	YUILAAPMBXYTTB-UHFFFAOYSA-N	309.257	1.501	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)C(C)(C)C)ccc1NC(C)=O	271467318	ZSGPWFMSSHUSSH-UHFFFAOYSA-N	322.365	1.852	50	20	DDGD	
CC(C)(O)CCNC(=O)NNC(=O)c1c[nH]c2ccccc12	274959214	TXQDQLHTGRHREK-UHFFFAOYSA-N	304.350	1.273	50	20	DDGD	
CCOCCC(=O)NNC(=O)CSc1ccccc1OC	270651067	LSOYGIQZRSXGJR-UHFFFAOYSA-N	312.391	1.361	50	20	DDGD	
CC(C)C(=O)N1CCCC[C@H]1C(=O)NNc1cccc(F)n1	286557457	KJBYHYDVVSGDIL-NSHDSACASA-N	308.357	1.701	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@H]1COc2ccccc2[C@@H]1O	288479623	VCTYKGWFUTXTKN-AAEUAGOBSA-N	319.810	1.419	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cn(C(C)C)cn1	287761616	JCASCWVEOWHZJO-UHFFFAOYSA-N	312.370	1.014	50	20	DDGD	
CC[C@@H]1C[C@H](C(=O)NNc2ccc(-n3ccnc3)nn2)CCO1	286781242	XDACMCVCDUUHGY-VXGBXAGGSA-N	316.365	1.311	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)c2ccc3ccccc3n2)O1	282743111	RWFRXMFNCVZTGJ-UEKVPHQBSA-N	313.357	1.809	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	289466206	GVLBNWVIPDMQHD-QLJPJBMISA-N	322.430	1.961	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCC2CCSCC2)n1	280391125	UYONRYDPYXAQPD-UHFFFAOYSA-N	308.407	1.477	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@H]1COc2ccccc2O1)C1CC1	287137375	NMWYFEMCFHHSMP-CYBMUJFWSA-N	304.346	1.410	50	20	DDGD	
C[S@](=O)C1(CNC(=O)NNc2cc(F)c(F)c(F)c2)CC1	281623314	CIEJNSWNZQRCAA-NRFANRHFSA-N	321.324	1.641	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2ccccc2C)CCOCC1	289581228	RICQYNODUPXRGR-UHFFFAOYSA-N	306.362	1.199	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@H]2CCOC[C@H]2C)s1	286972237	RVRLWCUBLPQBEF-KOLCDFICSA-N	311.407	1.673	50	20	DDGD	
CC[C@@H](OC)C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	299316711	LNZWXSHIHCRFEW-CYBMUJFWSA-N	302.334	1.263	50	20	DDGD	
CN(NC(=O)C(=O)N1CCc2cc(F)ccc21)c1ccccc1	802570160	LNLLAGKVTDZBCW-UHFFFAOYSA-N	313.332	1.882	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H](C)Cc2ccccc2F)O1	294260096	ONCINNNBJYWLNN-SUNKGSAMSA-N	308.353	1.719	50	20	DDGD	
NC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)Nc2ccccc2)C1	801989558	CTPANZRBQSYVAB-WDEREUQCSA-N	304.350	1.131	50	20	DDGD	
CC(C)(C(=O)NNc1nc2ccccc2[nH]1)N1CCOCC1	807173992	SOIUEKJTBZAPMR-UHFFFAOYSA-N	303.366	1.117	50	20	DDGD	
COC(=O)N[C@@H](CC(C)C)C(=O)NNc1cccc(Cl)n1	293762466	UMHQWJCUUHBCLL-VIFPVBQESA-N	314.773	1.949	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)co1	802101456	NBEWHPWRFFUJIX-UHFFFAOYSA-N	318.289	1.432	50	20	DDGD	
CC(=O)NNC(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1	291448545	LOXPKIIYVKHKKZ-UHFFFAOYSA-N	324.402	1.331	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(N2CCCC2=O)c(OC)c1	298458671	KZHDEJCKAAPFDK-UHFFFAOYSA-N	322.321	1.215	50	20	DDGD	
O=C(CCCNC(=O)c1cccnc1)NCC(Cl)Cl	296995620	GLUGBWBBCCMJAE-UHFFFAOYSA-N	304.177	1.512	50	20	DDGD	
CCCNC(=O)/C(C#N)=C/c1ccccc1OCC(=O)N(C)C	299210084	HTRPHHZCQCXANC-GXDHUFHOSA-N	315.373	1.587	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C1CCCC1)c1c(F)cncc1F	805352287	XXYNHOHYKYVZAV-QMMMGPOBSA-N	312.320	1.941	50	20	DDGD	
COc1cc(OC)c(/C=C(\C#N)C(=O)NC2CC2)c(OC)c1	298662500	KXBCCKFBSXBUBJ-UXBLZVDNSA-N	302.330	1.898	50	20	DDGD	
COc1cnc2ccccc2c1C(=O)NNC(=O)[C@@H]1CCCO1	294750211	VZYWVHXBTDSVNO-LBPRGKRZSA-N	315.329	1.183	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cnn1C(C)(C)C	293954984	QLCKEXRPXQGHIA-CABZTGNLSA-N	308.382	1.275	50	20	DDGD	
CC(C)n1cccc1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	292856916	YMAZXGUUGYNHPI-GFCCVEGCSA-N	313.423	1.175	50	20	DDGD	
Cc1c(NNC(=O)Cn2cc(Cl)cn2)cccc1[N+](=O)[O-]	807120996	OUMRIFFERWJODV-UHFFFAOYSA-N	309.713	1.896	50	20	DDGD	
C[C@H](CBr)COC(=O)c1ccnc2c1nnn2C	801496620	CIAVEBHIWDJLPE-SSDOTTSWSA-N	313.155	1.551	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)O1	802097850	BIWLYSQQULLHFH-JRKPZEMJSA-N	321.333	1.382	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2nnc(C3CC3)s2)[nH]1	293516221	OEUIBBWONDHKFG-UHFFFAOYSA-N	307.335	1.287	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)[C@@H]1CCCN1C1CCOCC1	293747339	SAYJVEJDLJABIU-LBPRGKRZSA-N	324.812	1.822	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncncc1F)c1ccc(C#N)cc1	814283270	DAIHZNQOTJUNIH-SECBINFHSA-N	300.297	1.875	50	20	DDGD	
CCN(CC(=O)NNC(=O)Cc1ccccc1C)C[C@@H](C)OC	812909195	SJRAJRHOUBTGAP-CQSZACIVSA-N	321.421	1.042	50	20	DDGD	
C[C@H](C(=O)NNc1ncc(F)cn1)c1ccc2c(c1)OCO2	815881243	IKPJDQAOEUCESO-QMMMGPOBSA-N	304.281	1.591	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	812446129	OHBBLCFKRIIWAB-ZJUUUORDSA-N	309.322	1.274	50	20	DDGD	
CSSCCNC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O	816603010	VODLRUBBHINFAY-AOOOYVTPSA-N	314.432	1.065	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2snnc2C2CC2)nc1	810754627	BZBURTPQZGZTHX-UHFFFAOYSA-N	319.346	1.354	50	20	DDGD	
CCc1c(C(=O)NNc2ccc(-n3ccnc3)nn2)ccn1C	811455808	VKUKHKGZTDJWBN-UHFFFAOYSA-N	311.349	1.320	50	20	DDGD	
CC(C)n1cc(NC(=O)C(=O)NNc2cccc(Cl)n2)cn1	815727238	NODXRXRZZSFXJX-UHFFFAOYSA-N	322.756	1.594	50	20	DDGD	
COC(=O)N(C)N=C(C)c1ccc(N2C(=O)CCC2=O)cc1	814228485	CKVAIQKZFZFYGH-UHFFFAOYSA-N	303.318	1.762	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=C1CCC(C(=O)O)CC1	814864191	SWXRNLFGYLBYKB-UHFFFAOYSA-N	314.345	1.624	50	20	DDGD	
O=C(NN=C[C@@H]1CCCOC1)c1csc(N2CCOCC2)n1	814749707	KDTGYAXKJPFRDY-NSHDSACASA-N	324.406	1.122	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc([C@H](C)N)cc2)n1	817943019	HSNXLIUGEJYZDR-JTQLQIEISA-N	301.350	1.570	50	20	DDGD	
CC(=NNC(=O)Cc1ccc(Cl)cc1)c1cc(CO)on1	812224901	MFIMQUWPIABSNE-UHFFFAOYSA-N	307.737	1.903	50	20	DDGD	
Cc1c(C(=O)NNc2ncncc2F)nnn1-c1ccccc1	817083589	OGICAPFOKSLVIF-UHFFFAOYSA-N	313.296	1.262	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C1(F)CCCCC1	810007917	UIZKXCKMYCDMCI-UHFFFAOYSA-N	323.368	1.927	50	20	DDGD	
C[C@@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)OC(C)(C)C	491010706	MQUTYXMPWZNYSA-HAAVITCDSA-N	304.350	1.173	50	20	DDGD	
C=CCOc1ccc(/C=C/C(=O)NN(C)[C@@H](C)CO)cc1OC	823988430	SCDHWTGIBIGBQY-XOVSCCBYSA-N	320.389	1.617	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@]1(C)CC=CCC1	822194518	BMKIXRSJSXMBAX-QGZVFWFLSA-N	318.373	1.968	50	20	DDGD	
COCC1(C)CN(C(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)C1	491107337	UYOZWXUTEUEORT-LHHJGKSTSA-N	312.373	1.607	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc2n[nH]cc2c1	826448913	RSOGHNUFRGPMOR-UHFFFAOYSA-N	320.316	1.500	50	20	DDGD	
CCN(CCO)NC(=O)c1c(Cl)cc(C#N)cc1Cl	823869867	QZOMGNKAHBUHEW-UHFFFAOYSA-N	302.161	1.824	50	20	DDGD	
CCN(CCO)NC(=O)COc1cccc(C(F)(F)F)c1	823833775	IQBSUPMUSPWQOG-UHFFFAOYSA-N	306.284	1.430	50	20	DDGD	
CCOC(=O)NNC(=O)c1nn(-c2ccccc2)cc1OCC	491139105	DFHJPXBSJQZOEI-UHFFFAOYSA-N	318.333	1.662	50	20	DDGD	
N#CCCCOc1cccc(C=NNC(=O)N2CCOCC2)c1	726738290	OVEQMIORAOYGRT-UHFFFAOYSA-N	316.361	1.745	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C[C@H](C)NC(=O)c1ccccc1	822235525	LCMXQICVSIAORZ-LBPRGKRZSA-N	305.378	1.389	50	20	DDGD	
CC(C)(CCC(=O)NNc1nc(-c2ccncc2)no1)[N+](=O)[O-]	822979715	DOOSYNZLMRNIOS-UHFFFAOYSA-N	320.309	1.410	50	20	DDGD	
CC(C)c1ccc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)cc1	728438006	ZMMNWTPIVKSSQG-NSHDSACASA-N	311.407	1.198	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CC[C@@H]2CC2(Cl)Cl)cn1	828088521	WWBAEILFYXMSRT-MRVPVSSYSA-N	305.165	1.155	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@H]1[C@@H]1CCCOC1)C1CCCC1	826623298	BTTKXHMPALKMAO-KGLIPLIRSA-N	309.410	1.808	50	20	DDGD	
CN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)CCl	829942620	NVARGMKDMNGKFX-UHFFFAOYSA-N	311.190	1.736	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cn(CCCC#N)c2ccccc12	823927846	HLXZRUDULOIYRI-CYBMUJFWSA-N	314.389	1.902	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCC1CCN(CC(F)F)CC1	491175592	LPVSKLPHKJUGAI-BENRWUELSA-N	301.337	1.524	50	20	DDGD	
Cc1cc(C)c(NC(=O)C(=O)NNC(=O)OC(C)(C)C)c(C)n1	496034081	CSRYIEDNTLSCBP-UHFFFAOYSA-N	322.365	1.501	50	20	DDGD	
OB(O)c1cccc(CNC2CCC3(CCOCC3)CC2)c1	585025843	FBYMVSKSHBBYGM-UHFFFAOYSA-N	303.211	1.195	50	20	DDGD	
Cc1cnc([C@@H](NCc2ccc(B(O)O)cc2F)C2CC2)s1	585025112	MBGROWVGPHAJJC-AWEZNQCLSA-N	320.198	1.511	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)Cn2cnc3ccccc32)CCCCO1	837309228	FTXUZSBVFAKEGM-MRXNPFEDSA-N	316.361	1.143	50	20	DDGD	
Cc1nonc1C(=O)NNC(=O)Cc1cccc2ccccc12	733876003	HZQNSUQONHPVAT-UHFFFAOYSA-N	310.313	1.535	50	20	DDGD	
CCOc1cc(-c2ccccc2)sc1C(=O)NCB(O)O	585056516	XCWGUCKWHPMFNZ-UHFFFAOYSA-N	305.164	1.556	50	20	DDGD	
C[C@H](NCc1ccccc1B(O)O)[C@@H]1OCCc2sccc21	585042414	CTQKKRQYXKNFIS-ZBEGNZNMSA-N	317.219	1.220	50	20	DDGD	
CCC(C)(C)[C@H]1CCCN1C(=O)c1ccc(B(O)O)c(F)c1	584964660	JJWVPJCEMYRNGC-CQSZACIVSA-N	307.174	1.546	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=Cc2ccc3c(c2)nnn3C)c1	737422270	YZHDKOSIYZCKJN-UHFFFAOYSA-N	322.372	1.798	50	20	DDGD	
O=C(C[C@H]1CCc2ccccc2C1)NNC(=O)c1ncon1	832825668	CWLKKZUWUXMYSX-JTQLQIEISA-N	300.318	1.026	50	20	DDGD	
O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1ccc(B(O)O)c(F)c1	584951366	ORKXKYFCUPAMDT-DOMZBBRYSA-N	305.158	1.204	50	20	DDGD	
COc1ccc(-c2nc(CN3CC[C@@H](B(O)O)C3)cs2)cc1	585077680	XJVWYFXZUWVWMN-GFCCVEGCSA-N	318.207	1.867	50	20	DDGD	
O=C(COCc1ccccc1)NN=Cc1ccc(O)cc1O	737437000	NSHRHKVGHMASRE-UHFFFAOYSA-N	300.314	1.765	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc(-n2cccc2)cc1	833261112	MDTFTYWSNRDVSP-HNNXBMFYSA-N	313.357	1.807	50	20	DDGD	
Cc1cc(C(=O)N2CC[C@H](B(O)O)C2)c2c(C(C)C)noc2n1	585077703	TYYNIXGHVGJQCV-JTQLQIEISA-N	317.154	1.344	50	20	DDGD	
O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NNC(=O)C1CCC1	735471568	RAFQQXQKQAAMLB-UHFFFAOYSA-N	311.725	1.738	50	20	DDGD	
CC(C)c1ccc(NNC(=O)CN2CCN(C)C(=O)C2)cc1	837052638	IBMMNBPMXNVMLZ-UHFFFAOYSA-N	304.394	1.027	50	20	DDGD	
CCC(C)(C)OCCNC(=O)NNc1nc(C)cc(OC)n1	836688906	BFLJCVGGFQXYGI-UHFFFAOYSA-N	311.386	1.625	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)NCCCC1CCCC1	836207424	RIWARPKLCOPUJI-UHFFFAOYSA-N	305.382	1.810	50	20	DDGD	
OB(O)c1ccccc1CNC1CCN(CC2CCCC2)CC1	585035137	QGFZLGPZKYXKHE-UHFFFAOYSA-N	316.254	1.111	50	20	DDGD	
OB(O)c1ccc(CNc2cc3c(cn2)CCCC3)c(F)c1	585042513	DBYMMIFTGGMVIP-UHFFFAOYSA-N	300.142	1.391	50	20	DDGD	
C[C@@]1(C(=O)NN=Cc2ccc(OCC(=O)O)cc2)CCCO1	834992471	QDHZFSZTCGVSCD-HNNXBMFYSA-N	306.318	1.169	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNC(=O)Cc1ccccc1C	838775803	LGRKGVJUFFANJX-KGLIPLIRSA-N	305.378	1.435	50	20	DDGD	
CCCOC1(CNC(=O)c2ccc(B(O)O)cc2)CCCCC1	584961840	YDHCMFDUFYPXPF-UHFFFAOYSA-N	319.210	1.226	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNc1ccc(C(=O)OC)cc1F	837206985	JDLQZVQIZAPFBL-MRVPVSSYSA-N	312.297	1.255	50	20	DDGD	
COc1ccc(OC(C)(C)C(=O)NNc2ncc(F)cn2)cc1	831349148	BSKPHANWRJSTNV-UHFFFAOYSA-N	320.324	1.925	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cnc(-c2ccccc2Cl)nc1	910140718	LOVSKAAADFFJHC-JTQLQIEISA-N	320.780	1.754	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@H]2CCC[C@H](C(=O)O)C2)c1	833073937	KMUMAQWXESIXED-STQMWFEESA-N	315.329	1.210	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)C[C@H](C)c2cnn(C)c2)n1	839692396	SAHCPDZOYOPZQT-QMMMGPOBSA-N	308.773	1.809	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1coc2ccccc12	746566618	UDVZEDGTZSFRPK-CYBMUJFWSA-N	315.373	1.851	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1ccc(N=c2cc[nH]cc2)cc1	746103317	OAIDQRLUYMTZHY-UHFFFAOYSA-N	321.340	1.650	50	20	DDGD	
O=C(NNC(=O)[C@]1(Cl)C[C@H]2CC[C@H]1O2)OCC(F)(F)F	912597322	QKIPAFGKZYILOT-KCRUCZTKSA-N	316.663	1.235	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccc2nnnn2c1	748508493	YCEMVDQRNBKNHC-UHFFFAOYSA-N	322.250	1.900	50	20	DDGD	
CCC(=NNC(=O)[C@H]1COc2ccccc2O1)[C@H]1CCOC1	741836609	DGTSLELMSKBHGO-XHDPSFHLSA-N	304.346	1.745	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cc(N2CCNC2=O)ccc1Cl	742034125	ZHVHDFLHARQJGB-UHFFFAOYSA-N	322.752	1.041	50	20	DDGD	
C[C@H]1OC(=O)N[C@H]1C(=O)NNc1cccc(Br)c1	841409664	VGSIMTINMORXIM-HZGVNTEJSA-N	314.139	1.389	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2	845077639	JBKJEVLMDGYYJU-FRRDWIJNSA-N	318.348	1.954	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC2(C#N)CCC2)c1	842198522	KDZOLGDWTLHFSO-UHFFFAOYSA-N	302.334	1.793	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc2scnc2c1	910200697	FYQLAGYWIWEHJG-MRVPVSSYSA-N	321.358	1.399	50	20	DDGD	
CC[C@H](CC(=O)NNC(=O)CN1CCCC1=O)c1ccccc1	913730658	DLLPWNRPWKGAMZ-CYBMUJFWSA-N	317.389	1.340	50	20	DDGD	
Cn1ccnc(NNC(=O)c2cc3ccccc3n2CC#N)c1=O	747946191	WVFPADZSLSNCEG-UHFFFAOYSA-N	322.328	1.015	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=S)NCC2CC2)o1	849255890	HQMHTKRIUNUFNR-UHFFFAOYSA-N	324.450	1.640	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C1CCN([C@H]2CCSC2)CC1	847696478	JQKLGBAIRQCWKL-ZDUSSCGKSA-N	324.425	1.881	50	20	DDGD	
CO[C@H](C=NNC(=O)COc1cc(C)ccc1C)[C@H]1CCOC1	841607308	VJMIOTKVWDOTFH-GOEBONIOSA-N	320.389	1.836	50	20	DDGD	
CO[C@H](C=NNC(=O)Cn1cnc2ccccc21)[C@H]1CCOC1	841608702	HAAQIJVPGRZVSQ-SWLSCSKDSA-N	316.361	1.190	50	20	DDGD	
O=C(CNc1cccc(Cl)c1)NNC(=O)Cc1ccncc1	747429986	YDBBKDZFTQQHIJ-UHFFFAOYSA-N	318.764	1.537	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1nccc2ccccc12	740762064	YGMQQRAKFOJEAF-UHFFFAOYSA-N	322.324	1.708	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1)c1ccn(C)n1	841613681	FMYQOGBHDGQLTL-UPJWGTAASA-N	321.425	1.006	50	20	DDGD	
COCCCNC(=O)NN=Cc1c[nH]c2ccc([N+](=O)[O-])cc12	747753214	CZFSNDAGAZFOKU-UHFFFAOYSA-N	319.321	1.746	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)C[C@@H](OC)C1CCCCC1	849304277	DNALTLAFDNJECT-LLVKDONJSA-N	308.400	1.162	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NN=C1CCS(=O)(=O)C1	912817858	YZMMZGDEXLWIOW-UHFFFAOYSA-N	316.382	1.673	50	20	DDGD	
CC(C)Oc1ncccc1CNC(=O)NNC(=O)C1CCCC1	916511969	LJFPXFRDZGKKQS-UHFFFAOYSA-N	320.393	1.889	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@@H]1CCc2ccccc2C1	846064408	IWBVDVYTFKGSIG-LLVKDONJSA-N	315.295	1.684	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cnn1CC(C)C	843980356	UDZJBTJARMHJHE-VXGBXAGGSA-N	308.382	1.034	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CCCc2nc(C)sc21	740762371	NSDCGRZVXMGAAD-UHFFFAOYSA-N	322.434	1.913	50	20	DDGD	
O=C(O)CSCC(=O)NNc1cccc(C(F)(F)F)c1	740485720	YMYGANUQEHYOEW-UHFFFAOYSA-N	308.281	1.966	50	20	DDGD	
CC(=O)Nc1ccc(O)c(C(C)=NNC(=O)N2CCOCC2)c1	745591149	QXLFLOBZERPQFQ-UHFFFAOYSA-N	320.349	1.116	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1)c1ccn(C)n1	841613679	FMYQOGBHDGQLTL-JHJVBQTASA-N	321.425	1.006	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCC(C2CC2)C2CC2)cc1	743568098	FILUEJVSLWXRGC-UHFFFAOYSA-N	312.373	1.938	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2CC[C@H]3CNC[C@H]3C2)n1	842014950	JSCLPQSZNSNOLF-YNEHKIRRSA-N	304.398	1.108	50	20	DDGD	
Cc1nn(C(C)(C)C)c(C)c1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843974883	PJNOXHJJFMSBPV-VXGBXAGGSA-N	322.409	1.441	50	20	DDGD	
O=C(NN=Cc1ccc(OC(F)(F)F)cc1)N1CCOCC1	745591195	SNSASWITRKZVSR-UHFFFAOYSA-N	317.267	1.961	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCCCC2)s1)C(=O)NC1CC1	744828083	UNYVNDCEZNEZGH-UHFFFAOYSA-N	320.418	1.467	50	20	DDGD	
N#Cc1ccc2c(c1)NC(=O)C2=NNC(=O)NC1CCCCC1	844567492	SGJUVANPHNQGDC-UHFFFAOYSA-N	311.345	1.846	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C(C)c2ccn(C)n2)c1	841609905	GGELOPVACZLRSI-UHFFFAOYSA-N	302.334	1.591	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=S)NCCc2cccs2)c[nH]1	753087380	RQDNGZRMZXPDHV-UHFFFAOYSA-N	319.415	1.299	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC[C@@H]1Cc1ccccc1	752315794	SLUCTUQILRHMRQ-CQSZACIVSA-N	303.406	1.497	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2cccc(F)n2)CC(C)(C)O1	852709116	CYGCDZIOYDWQTP-VIFPVBQESA-N	310.329	1.074	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cc(O)ccc1[N+](=O)[O-]	751132429	BSJGEEKHTSAFFK-UHFFFAOYSA-N	322.321	1.055	50	20	DDGD	
Nc1nc(C2CC2)ncc1C(=O)NNc1ncc(Cl)cn1	857358292	SFJGHSOTLFENJS-UHFFFAOYSA-N	305.729	1.137	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cn(C)c2ccccc12	755764935	UZYONEFPFWJWNI-GFCCVEGCSA-N	303.362	1.680	50	20	DDGD	
CCOC1CC(CC(=O)NN(C)C(=S)NCCCOC)C1	854284396	IMSULLDWORLUGG-UHFFFAOYSA-N	317.455	1.066	50	20	DDGD	
CCO[C@@H]1COCC[C@@H]1NC(=O)NNc1ccc(Cl)cn1	852252807	LHZWYYUSFHXQHW-WDEREUQCSA-N	314.773	1.555	50	20	DDGD	
O=C(NN=Cc1cc2c(cc1O)OCO2)OCC(F)(F)F	853431142	XLRMOQITTUPGJP-UHFFFAOYSA-N	306.196	1.743	50	20	DDGD	
COCCCNC(=O)NN=Cc1cn(C)nc1-c1ccncc1	920831475	MPDBQPSLKWSTBH-UHFFFAOYSA-N	316.365	1.152	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1	855366692	IWZGTMXNQFHQOD-JTQLQIEISA-N	317.324	1.353	50	20	DDGD	
O=C(CCC[C@@H](O)c1ccccc1)NNC(=O)[C@@H]1CCCCO1	854682419	AMCLOGWFQPOYMH-CABCVRRESA-N	320.389	1.607	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)CC[C@H]1CC[C@H](C)O1	854282647	OXCLDOJDXKYTRJ-NWDGAFQWSA-N	317.455	1.208	50	20	DDGD	
O=C(CO)NNC(=O)Nc1cccc(C#Cc2cccs2)c1	755607958	AZLAVQJMJAFWPU-UHFFFAOYSA-N	315.354	1.293	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	755310496	OYSYEIAGPDZEJF-GFCCVEGCSA-N	316.361	1.306	50	20	DDGD	
Cc1cccc(CC(=O)NNC(=O)C2CC2)c1Br	858121611	IZXONTVUNYUTHM-UHFFFAOYSA-N	311.179	1.857	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@H]2C=NNC(=O)[C@H]2CCOC2)cn1	853339295	ZYUGUHWAPFUWDJ-SGMGOOAPSA-N	306.366	1.119	50	20	DDGD	
C[C@@]1(CCC(=O)NNc2cc(F)c(F)cc2F)CCC(=O)N1	753417139	RKIVZKJORMFALA-AWEZNQCLSA-N	315.295	1.996	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1c[nH]c2ncccc12)C1CC1	855103004	PLXOYPNEWQFVTG-QMMMGPOBSA-N	303.391	1.470	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCCC(C)(C)F	852553669	RRBZTQWTAMVYFC-UHFFFAOYSA-N	311.357	1.706	50	20	DDGD	
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NNc1ccc(Cl)cn1	852200964	QDWGKMJXIMNHIC-BXKDBHETSA-N	309.801	1.844	50	20	DDGD	
Cc1ncc2n1C[C@@H](C(=O)NNC(=S)NCC1CCC1)CC2	855090538	YTMCLDVIGQNAMJ-LBPRGKRZSA-N	321.450	1.049	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccc(C(N)=O)cn2)C[C@@H]1Br	857403840	VBJXYYVAFFJKIS-CABZTGNLSA-N	312.167	1.084	50	20	DDGD	
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NNC(=O)C(C)C)C1	750295969	FHDNNCFYLKRCCE-MKXJDEKUSA-N	303.428	1.053	50	20	DDGD	
CNc1snc(C)c1C(=O)NNC(=S)N[C@H](C)C1CC1	855102327	IYOMWDFMTCZLNE-ZCFIWIBFSA-N	313.452	1.401	50	20	DDGD	
CCC[C@@H](O)CC(=O)NNC(=O)c1cccc2ncccc12	750302755	SZQZOXDRLLKXFW-LLVKDONJSA-N	301.346	1.547	50	20	DDGD	
C[C@H](NNC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C)C(F)(F)F	862309896	VSWFMDGSOMRAQT-VHSXEESVSA-N	323.359	1.985	50	20	DDGD	
O=C([C@H](OC1CCCC1)c1ccccc1)N1CC[C@@H](B(O)O)C1	864234816	WKLTZDONNDFBMB-GDBMZVCRSA-N	317.194	1.762	50	20	DDGD	
C#CCN1CCC(C(=O)NNC(=O)c2cc(C)cs2)CC1	862478204	SOUUEVWQRPRGIT-UHFFFAOYSA-N	305.403	1.163	50	20	DDGD	
CCN(CC(=O)N(C)C)/C(=C/C#N)c1ccc([N+](=O)[O-])cc1	764193176	PUSUUCQJFNQKFY-NTEUORMPSA-N	302.334	1.869	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=Cc1cc2ccccc2o1	763194887	IDEBQASJYHKQIE-UHFFFAOYSA-N	322.324	1.708	50	20	DDGD	
CC(Cc1ccncc1)=NNC(=O)c1ccc(-n2cnnn2)cc1	767759205	LERJOYFNEJZOHB-UHFFFAOYSA-N	321.344	1.406	50	20	DDGD	
CN(C)CCn1cc(C(=O)NNc2cccc(Cl)n2)cn1	868528140	VPUSPADHVXITEV-UHFFFAOYSA-N	308.773	1.250	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccc([N+](=O)[O-])cc1F	763484310	HAACUYIXPZGGCO-UHFFFAOYSA-N	322.256	1.681	50	20	DDGD	
CC(=O)Nc1ccccc1OS(=O)(=O)CBr	769934999	CKMWQEQWKYTURR-UHFFFAOYSA-N	308.153	1.706	50	20	DDGD	
Cc1ccc(F)c(C(=O)NNC(=O)Cc2ccncc2)c1F	766483764	CDFSHUBPUSSQQA-UHFFFAOYSA-N	305.284	1.672	50	20	DDGD	
CC(C)CC(=NNC(=O)CN1CCCC1=O)c1ccccn1	760233952	CRHAMZFGYMLFAI-UHFFFAOYSA-N	302.378	1.570	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C	862002779	BEOPYBBEUUTIGM-LSDHHAIUSA-N	320.349	1.050	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1cc(C)c(C)cc1Cl	869907239	FVKWESHSUXAOKD-UHFFFAOYSA-N	314.769	1.381	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)c1cncc(C)c1	767376862	GCOSXWQIJKUWNV-UHFFFAOYSA-N	316.386	1.722	50	20	DDGD	
O=C(NNC(=O)[C@]1(F)CCOC1)c1cccc(OC(F)F)c1	1117402303	USWVCAZUXKYAFT-ZDUSSCGKSA-N	318.251	1.178	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(=O)n(Cc2ccccc2)c1	765149050	XGPQMXSVJOGJMH-UHFFFAOYSA-N	300.318	1.069	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C2(C(C)(F)F)CC2)c1O	1118809544	KNDDHAYDLPKTSD-UHFFFAOYSA-N	314.288	1.597	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc(C)cc2OC)n1	775546792	NKPSNVXSYIZVKV-UHFFFAOYSA-N	303.322	1.951	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c[nH]1	778530597	CIBDNYFLRVYYCY-UHFFFAOYSA-N	307.313	1.371	50	20	DDGD	
CS[C@H](C)CCC(=O)NNC(=O)COc1ccc(F)cc1	773185597	CXEDTFKXZSURIJ-SNVBAGLBSA-N	314.382	1.884	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cnsc1	872381521	RXOYJFXUFLCWSK-NSHDSACASA-N	322.390	1.510	50	20	DDGD	
C[S@@](=O)Cc1ccccc1NC(=O)NNc1ncc(F)cn1	775776386	GVSNJEKDXBMJRQ-JOCHJYFZSA-N	323.353	1.643	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NN=c1cc[nH]c2ccccc12)C(C)C	878766330	XEFQXWRZOARCBR-HNNXBMFYSA-N	315.373	1.935	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(F)c(Cl)c1	772209642	OHYUGKJVXXEKSN-ZETCQYMHSA-N	316.716	1.582	50	20	DDGD	
COC1(C(=O)NNC(=O)c2ccc3c(c2)OCO3)CCCCC1	771854130	MQWVUDFQBICVSI-UHFFFAOYSA-N	320.345	1.526	50	20	DDGD	
CC(C)(NC(=O)C(F)(F)F)C(=O)NNc1ccc(F)cn1	874648401	OJBQXZYURWKJPS-UHFFFAOYSA-N	308.235	1.121	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)CNc2ccccc2F)C1	1118097042	VUHCDEFMOUUVBD-UHFFFAOYSA-N	307.325	1.683	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=C2CCO[C@H](C)C2)C[C@@H](C)O1	773191409	QZZZAVHASUIHGX-RFQIPJPRSA-N	311.426	1.403	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)NCC(C(C)C)C(C)C	775001517	AKSRBMSJFNFFNJ-LBPRGKRZSA-N	317.430	1.297	50	20	DDGD	
Cn1ccnc(NNC(=O)CC(C)(C)c2ccc(F)cc2)c1=O	879073720	WEVADRTZWAFCSP-UHFFFAOYSA-N	318.352	1.730	50	20	DDGD	
CCCn1cc(C=NNC(=O)COc2ccc(Cl)cc2)nn1	872329330	LJPCZLLFEQOUBK-UHFFFAOYSA-N	321.768	1.871	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@](C)(OC)C2CC2)c1	874952308	QJSUEKBGZYRJHH-INIZCTEOSA-N	317.414	1.801	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc2ccccc2[nH]1	771857492	YYWFGKFXRYGGHU-VIFPVBQESA-N	303.318	1.271	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c2ccccc2n1	770850489	CTTJYKNFLPIPNU-NWDGAFQWSA-N	313.357	1.729	50	20	DDGD	
CCC[C@@H](CNC(=O)NNC(=O)c1ccccc1O)OCC	875781253	BRLSFRXJMJVIFG-NSHDSACASA-N	309.366	1.541	50	20	DDGD	
CC[S@@](=O)c1ccccc1C(=O)NNC(=O)c1cccn1C	770264556	CBLYHSFSQWCVRW-JOCHJYFZSA-N	319.386	1.227	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)CCc2cccnc2)c1	776534055	MEUXVYHRMZXUNZ-UHFFFAOYSA-N	319.386	1.561	50	20	DDGD	
CC[C@H](C)n1nc(C(=O)NNC(=O)c2cccnc2)cc1C	778220939	MXKJSHSIAQAIGZ-JTQLQIEISA-N	301.350	1.632	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)NCCn2cccc2)c1	776627451	MJONGWPWEDBVHO-UHFFFAOYSA-N	322.390	1.218	50	20	DDGD	
COC(=O)c1cccc(CNS(=O)(=O)CCCCl)c1	881983585	ICWQMVUZLVVANP-UHFFFAOYSA-N	305.783	1.522	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H](CC)CO)cc1	779579862	VBDBSBQLXRQTMF-NEPJUHHUSA-N	324.377	1.019	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)CN1CCCNC1=O	777482052	UOBYJCUYSNBVJK-UHFFFAOYSA-N	313.361	1.402	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2cnccc2C)nc1C	778423740	GHMAHWFSMHGXEE-UHFFFAOYSA-N	315.333	1.422	50	20	DDGD	
C[C@H](C(=O)NNc1c(F)cc(F)cc1F)[C@@H]1CCC(=O)N1	885154013	UVZZRWDXWUHJKI-WKEGUHRASA-N	301.268	1.462	50	20	DDGD	
CC(=NNC(=O)C(F)F)c1c(F)cccc1N1CCOCC1	782237092	JKNXXLMOKZSCMC-UHFFFAOYSA-N	315.295	1.768	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(O)cc([N+](=O)[O-])c2)o1	780622825	DILNYQXYSCMAHN-UHFFFAOYSA-N	305.246	1.277	50	20	DDGD	
CC(C)(NS(C)(=O)=O)C(=O)NNc1ccc(F)cc1Cl	885135543	FBJRVRWSWOFJOX-UHFFFAOYSA-N	323.777	1.250	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)c2nccnc2C)cc1OC	783507235	DWVRUJNGJHGMTI-UHFFFAOYSA-N	314.345	1.956	50	20	DDGD	
CCCN(CCC)C(=O)CCCC(=O)NN(C)C(=O)NCC	780712768	XWGGMMTUJGKVOI-UHFFFAOYSA-N	314.430	1.498	50	20	DDGD	
CN(C[C@H](O)Cc1ccccc1)S(=O)(=O)CCCCl	882219724	CZOHJRPKMKHPEQ-CYBMUJFWSA-N	305.827	1.481	50	20	DDGD	
COc1ccnc(NNC(=O)CCCc2ccc(O)c(F)c2)n1	786756192	CCHBXMJEQIOAEA-UHFFFAOYSA-N	320.324	1.796	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCC(=O)c1ccc(NC(N)=O)cc1	786666499	OTMCCUHVANGUIH-KPKJPENVSA-N	313.313	1.763	50	20	DDGD	
C=C[C@H](CC)CC(=O)NNC(=O)CNc1cccc(OC)c1	891958791	CSKJAPPZBBBHRA-GFCCVEGCSA-N	305.378	1.857	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1cccc2cnccc12	782478036	GFMYLHJZKAVTHT-UHFFFAOYSA-N	308.363	1.089	50	20	DDGD	
CCC[C@H](C(=O)NNc1ccccc1S(N)(=O)=O)C(C)C	788228435	KESFSKBIHUGRQQ-NSHDSACASA-N	313.423	1.849	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2c[nH]nc2C)c(F)c1Cl	789934974	FPAQNXCNAGMEGE-UHFFFAOYSA-N	310.716	1.894	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@]12CCCN(CC1)C2	897309055	SXQHLBMVCTXYMQ-INIZCTEOSA-N	303.362	1.402	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C#N)cc1)c1nccnc1C	783511547	IORSMNWBGWZLNJ-UHFFFAOYSA-N	309.329	1.576	50	20	DDGD	
N#C[C@@]1(F)CCN(C(=O)NNC(=O)c2cc3ccccc3o2)C1	786133586	ZPJUMIZKVJDRHK-HNNXBMFYSA-N	316.292	1.725	50	20	DDGD	
COC(=O)CC1CCN(S(=O)(=O)CCCCCl)CC1	780719520	DPXOJNNVWRCKDX-UHFFFAOYSA-N	311.831	1.610	50	20	DDGD	
C[C@H]1[C@@H](CNc2cccc(CN3CCNC(=O)C3)c2)[C@@H]1Cl	894575499	MXCDPLHRZFLHDH-SGIREYDYSA-N	307.825	1.904	50	20	DDGD	
COc1cccc(C=NNC(=O)C(C)(C)O)c1OC(F)F	785458187	QFKVRDMOKPVTNK-UHFFFAOYSA-N	302.277	1.518	50	20	DDGD	
Cc1ncc(NC(=O)C(=O)NNc2ccc(F)cc2F)s1	783340357	PMNXVHWZNZSBIK-UHFFFAOYSA-N	312.301	1.812	50	20	DDGD	
O=C(NNC(=O)c1ccc(O)cc1O)c1ccc2ccccc2n1	780848318	CDBYKHBZMSHBBH-UHFFFAOYSA-N	323.308	1.721	50	20	DDGD	
Cc1nn(C)c(C)c1CNC(=O)NNc1ncncc1Cl	781000524	IUKXPCHDZIGPGZ-UHFFFAOYSA-N	309.761	1.307	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)N1CC[C@H](CO)[C@H](O)C1	799000269	SXGPWQVIJRECQB-JHJVBQTASA-N	319.492	1.902	50	20	DDGD	
O=C(NC[C@H]1CCCN1C1CCCCC1)NNC(=O)C1CCC1	798105225	VQYSGTNSQGCDKL-OAHLLOKOSA-N	322.453	1.914	50	20	DDGD	
C[C@@H]1CCC[C@H]1CNC(=O)NNC(=O)COc1ccc(F)cc1	798510649	ADBFFRSQEQWRIW-NEPJUHHUSA-N	323.368	1.971	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CCC(=O)c3cccn32)nc1	790045557	YKVCRTPZTLKCPY-GFCCVEGCSA-N	300.318	1.553	50	20	DDGD	
C[C@@H]1C[C@@H](c2ccccc2)N(CC(=O)NNC(=O)C2CC2)C1	796621656	MJGDOKCOYFZMQZ-DOMZBBRYSA-N	301.390	1.627	50	20	DDGD	
O=C(NNc1cccnn1)C1CCC(NC(=O)C2CC2)CC1	793808896	ODQGDIRPSWIFNT-UHFFFAOYSA-N	303.366	1.005	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)c2cccnc2)[nH]c1C	799464799	MPTGGBJVWWOJHO-UHFFFAOYSA-N	300.318	1.659	50	20	DDGD	
CC(C)n1nccc1C=NNC(=O)Cc1cn2ccccc2n1	794514862	WMRWDKGCYKWVSG-UHFFFAOYSA-N	310.361	1.805	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1nc2ccccc2s1	790182416	VAXIWOWTZNKULV-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
O=C(CCl)N1CCC(NS(=O)(=O)c2cccs2)CC1	1319797721	OAYXTXAXDOCDPU-UHFFFAOYSA-N	322.839	1.256	50	20	DDGD	
CCC(=NNC(=O)C[n+]1ccccc1)c1cccc([N+](=O)[O-])c1	1318981361	KFDFHBDDROWLRC-UHFFFAOYSA-O	313.337	1.813	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccccc2Cl)nc1	1318347938	PMIKEYVOXSMFQF-UHFFFAOYSA-N	300.705	1.681	50	20	DDGD	
CC(C)C1CCC(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CC1	1328130356	CMQQAVOCZOYPNK-GFJIZPEISA-N	311.426	1.957	50	20	DDGD	
C[C@@]1(CNC(=O)c2cnn3ccncc23)C[C@H]1Br	1329654795	RPOROLIRVNJNAO-PWSUYJOCSA-N	309.167	1.633	50	20	DDGD	
Cc1cc2c(cc1C)[C@H](C(=O)NNC(=S)NC(C)C)CO2	1325677236	YEVIPGHOVGIUTP-GFCCVEGCSA-N	307.419	1.683	50	20	DDGD	
CCc1cc(C(=O)NNc2nncc(N)c2Cl)ccc1O	1330129162	XSXJTRBMLCTONI-UHFFFAOYSA-N	307.741	1.737	50	20	DDGD	
CC1(C)C[C@@H](C(=O)NNC(=O)COc2ccccc2O)CCO1	1337123932	LMAGUQMSTVZXSO-NSHDSACASA-N	322.361	1.124	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1ccnn1C1CCC1	1336760700	PEASRWUTOJMHHJ-UHFFFAOYSA-N	314.436	1.674	50	20	DDGD	
COc1cc(C(=O)NNC(=O)COc2ccc(F)cc2)ccn1	1337587878	HNSNACNFSZQOEI-UHFFFAOYSA-N	319.292	1.069	50	20	DDGD	
Cc1nc2c(C(=O)NNc3nncc(N)c3Cl)cccc2o1	1339563678	HKISFHQPHRPTNA-UHFFFAOYSA-N	318.724	1.919	50	20	DDGD	
CC1(C)OCc2cc(C=NNC(=O)c3cccnn3)ccc2O1	1330907912	JXYIPVNILGFLAL-UHFFFAOYSA-N	312.329	1.886	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NCCCCCCO)nn1	1344029097	NIFJUHSCRMPEND-UHFFFAOYSA-N	309.414	1.953	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)CO[C@@H]1CCOC1	1261829295	KUVPUNFFJXLNBY-CYBMUJFWSA-N	308.334	1.092	50	20	DDGD	
CN(C)C1(CNC(=O)NNc2ccc(C(C)(C)C)nn2)CCC1	1343259139	CCXZFGMEACVEOY-UHFFFAOYSA-N	320.441	1.885	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@@H]1C[C@@H]1F	1345505607	CZUMMJIQWAKMLD-ZJUUUORDSA-N	304.325	1.104	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCOC(C)(C)C2)cc1	1354039975	DNBOCMIINXAIGU-GFCCVEGCSA-N	306.362	1.661	50	20	DDGD	
CCCN(NC(=O)c1cnn(CCO)c1)C(=O)OC(C)(C)C	1352188703	CCQAMFPWRXBXEE-UHFFFAOYSA-N	312.370	1.167	50	20	DDGD	
C[C@@H](CCCCN)NC(=O)NNc1ccc(C(=O)O)cc1F	1604131426	AAAPMSCTFOPMIX-VIFPVBQESA-N	312.345	1.668	50	20	DDGD	
O=C(NC[C@H]1CCCCO1)NNc1ccc(C(=O)O)cc1F	1601482217	HAMNSIBDJZEZSQ-SNVBAGLBSA-N	311.313	1.719	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)O)C[C@@H]12	1600592264	CDGQKLUFNRNTEJ-KKOKHZNYSA-N	304.350	1.515	50	20	DDGD	
O=C(NC[C@H](F)C(=O)O)NNc1ccccc1C(F)(F)F	1608457633	NTLTVKVWOWKNSO-ZETCQYMHSA-N	309.219	1.754	50	20	DDGD	
NC[C@H](NC(=O)NNc1ccc(C(=O)O)cc1F)C1CCCC1	1601183730	WOVMVZSFSDILOL-ZDUSSCGKSA-N	324.356	1.668	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)N[C@H]1COC2(CCC2)C1	1601556784	KOKJPHOIMKBWKY-SNVBAGLBSA-N	323.324	1.862	50	20	DDGD	
CC[C@@H](C)C(=O)NN=CCCc1ccc(-c2nn[nH]n2)cc1	1609183984	LPEVIPDBWWUJME-LLVKDONJSA-N	300.366	1.947	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O	1610572045	HULJYORTNFWTFD-IAZYJMLFSA-N	311.769	1.141	50	20	DDGD	
COc1ccc([C@@H](CC(=O)O)NS(=O)(=O)CCl)cc1	1610319976	YCPHCXNDWBCBDI-SNVBAGLBSA-N	307.755	1.327	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)[C@@H](C(=O)O)C1CCCC1	1594698159	ZVAMFEVWCFEFFG-AWEZNQCLSA-N	319.361	1.137	50	20	DDGD	
CC[C@@H](OC)C(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1595353248	AGANJCITQURFRW-SECBINFHSA-N	301.368	1.005	50	20	DDGD	
Cn1ncc(-c2nn[nH]n2)c1NC[C@@]1(C)C[C@@H]1Br	1592597674	JCMCHFVMSZDOCJ-OIBJUYFYSA-N	312.175	1.186	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)c1coc(-c2nn[nH]n2)c1	1593163760	HWYPEMFAZIXIQM-UHFFFAOYSA-N	305.685	1.265	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@H]1CN1CCC[C@@](O)(C2(C(=O)O)CCC2)C1	1594187307	FLGSQACTYIZALO-ASHKBJFXSA-N	301.814	1.942	50	20	DDGD	
COC(C)(C)CC(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1591315928	JBSHFQJHWGRAAF-UHFFFAOYSA-N	324.772	1.778	50	20	DDGD	
CCC[C@@H]1C[C@H]1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	1590653984	RSGHLEXUPVSNIO-BXKDBHETSA-N	314.349	1.064	50	20	DDGD	
CCCc1cc(C(=O)NNc2cccc(C(=O)O)c2F)n[nH]1	1596055614	TXGXOTUSIQEALD-UHFFFAOYSA-N	306.297	1.956	50	20	DDGD	
COC1(OC)CC(CNC(=O)NNc2cccc(C(=O)O)c2)C1	1599096720	VNPPFGXQHIHMDF-UHFFFAOYSA-N	323.349	1.410	50	20	DDGD	
O=C(/C=C/c1ccnc(Cl)c1)NNc1ncccc1C(=O)O	1594675216	QUXZSKXKIRQUCT-ONEGZZNKSA-N	318.720	1.985	50	20	DDGD	
Cc1ccncc1/C=C\C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1592277075	HAESQWULDWILIJ-HYXAFXHYSA-N	322.332	1.122	50	20	DDGD	
C[S@@](=O)c1cccc(C(=O)NNc2ccc(C(=O)O)cn2)c1	1599780610	SHBXRWGBJQNSNX-JOCHJYFZSA-N	319.342	1.274	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CCO[C@H]2C)ccc1C(=O)O	1776082544	XCIDIYULKFRBBQ-ONGXEEELSA-N	306.318	1.269	50	20	DDGD	
CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cl)CC	1799265833	NLPOTKJLKOKUDX-NOHGZBONSA-N	302.802	1.003	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccccc2F)cc1OC	5514198	HMARJXLCKDMESC-UHFFFAOYSA-N	318.304	1.918	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cccc(NC(N)=O)c1	14895308	MJPYAGFITAQDBS-UHFFFAOYSA-N	309.395	1.085	50	20	DDGD	
Cc1cc(CC(=O)N/N=C2/C(O)=Nc3ccc(F)cc32)[nH]n1	17691985	TUJKTLWBNVCZMF-UHFFFAOYSA-N	301.281	1.522	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(c2ccccc2OC)CC1	158494799	WYPDGSXZRVUNAK-YPKPFQOOSA-N	315.373	1.788	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)c2ccc3c(c2)C(=O)NC3=O)c1	158922460	FGXRXWMHOSWEQP-UHFFFAOYSA-N	309.325	1.944	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1ccccc1OCC(N)=O	160906930	OOPCUFWUZCWWLY-UHFFFAOYSA-N	317.320	1.755	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2cccc(C(F)(F)F)n2)CCN1	151902835	ABKVHHGJOFBANV-ZETCQYMHSA-N	302.256	1.070	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2ccc(OC)cn2)c1	159172186	MXGFOMHHLGOGNK-UHFFFAOYSA-N	300.318	1.207	50	20	DDGD	
CCN(CC)C(=O)c1ccccc1NC(=O)NNC(=O)OC	56775181	QNFGWAFDDZEZKU-UHFFFAOYSA-N	308.338	1.561	50	20	DDGD	
N#Cc1ccc(C(=O)NNS(=O)(=O)c2ccccc2F)cc1	57820381	MTAYJBSLLGNDMK-UHFFFAOYSA-N	319.317	1.321	50	20	DDGD	
COCCCN1CCC(NC(=O)NNc2ccccc2)CC1	114954892	OPYQTZJNDGGRAC-UHFFFAOYSA-N	306.410	1.814	50	20	DDGD	
CSCc1noc(CCC(=O)NNc2nc(C)cc(C)n2)n1	119772288	XTMQKQQWZLWWMU-UHFFFAOYSA-N	322.394	1.415	50	20	DDGD	
O=C(NNc1ccc(F)cc1)[C@H]1CC(=O)N(c2cn[nH]c2)C1	175886392	MIBMFFONKONRNW-VIFPVBQESA-N	303.297	1.045	50	20	DDGD	
COc1ccc(OC)c(CC(=O)NNC(=O)c2ccc(C)o2)c1	175828586	WFECIAZIBYINGA-UHFFFAOYSA-N	318.329	1.609	50	20	DDGD	
CCN(Cc1cccs1)C(=O)NNC(=O)Cc1cccnc1	170888110	OBSSBZKQGVUKNI-UHFFFAOYSA-N	318.402	1.949	50	20	DDGD	
CN(C)C(=O)CNS(=O)(=O)c1ccc(CCCCl)cc1	171085290	BIBCJQFEURTGGK-UHFFFAOYSA-N	318.826	1.225	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)C2=CCCCO2)c1C	174404024	ASTRSFXBISNJFI-CYBMUJFWSA-N	318.373	1.912	50	20	DDGD	
O=C(NNC(=O)C1(O)CCC1)c1ccc(Cl)cc1Cl	119618028	AZNNAULXSACVQR-UHFFFAOYSA-N	303.145	1.669	50	20	DDGD	
CN(Cc1ccccc1F)C(=O)NNC(=O)Cc1cccnc1	170887975	PFMJDVRPOPPWLG-UHFFFAOYSA-N	316.336	1.636	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCC[C@H]2C[C@@H]3CC[C@@H]2C3)cn1	172226227	KCISRKALTDCNQZ-UTUOFQBUSA-N	305.382	1.190	50	20	DDGD	
Cc1cc(NNC(=O)CCc2nnc(C(C)C)o2)nc(C)n1	177415771	SQXOQSKJUCPZMK-UHFFFAOYSA-N	304.354	1.676	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CCc2nnc(C(C)C)o2)n1	176489604	FJWKUSWNMLMKFB-UHFFFAOYSA-N	304.354	1.676	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2ccc(C#N)cc2)CC(C)(C)O1	170880835	FXRQJMAZAYTRTH-LLVKDONJSA-N	316.361	1.412	50	20	DDGD	
CC[C@H](C)[C@H](C)NC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1347939601	BXORWWXVWBIUJE-YVNDNENWSA-N	319.243	1.827	50	20	DDGD	
O=C(CC1CCOCC1)NNc1nc(-c2ccccc2)no1	117257034	XJEHSAXJBUZKBL-UHFFFAOYSA-N	302.334	1.996	50	20	DDGD	
COCCCOc1ccc(C(=O)NNC(=O)C(C)(C)C)cc1	175546130	UVGGSKAMIUJNPB-UHFFFAOYSA-N	308.378	1.909	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)NCC(F)(F)F	63838826	NDKFCGAATXUIQJ-UHFFFAOYSA-N	320.227	1.410	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2ccnn2C)cc1C	125538105	BHQCNIMTZATGCK-UHFFFAOYSA-N	317.349	1.269	50	20	DDGD	
CC(C)OCC(=O)NNC(=O)c1cc2ccccc2cc1O	63683117	SXXKVPZTLSORST-UHFFFAOYSA-N	302.330	1.731	50	20	DDGD	
C[C@@H](Oc1cccc(F)c1)C(=O)NNC(=O)NCC(F)(F)F	124622996	HXXDXNIMBBRMJR-SSDOTTSWSA-N	323.246	1.486	50	20	DDGD	
O=S(=O)(CCCCl)N1CCN(CC(F)(F)F)CC1	36881845	LZPNVAAUOHPMHW-UHFFFAOYSA-N	308.753	1.125	50	20	DDGD	
C[C@@H]1CCN(C(=O)NNC(=O)COCc2ccccc2)C[C@@H]1C	128214855	IDPWNUBGKVAYLZ-KGLIPLIRSA-N	319.405	1.922	50	20	DDGD	
COc1ccc(F)cc1CC(=O)NNc1cc(C)nc(C)n1	185556949	UNZWCHOGFKWJNL-UHFFFAOYSA-N	304.325	1.927	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc3nccnc3c2)cc1	129163764	XCKPTMWHPJJRQX-UHFFFAOYSA-N	317.308	1.576	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NC[C@H](C)CN1CCOCC1	185430839	VJXPXPGVJSBBKU-LBPRGKRZSA-N	324.400	1.729	50	20	DDGD	
Cn1/c(=N\NC(=O)CC2OCCCO2)sc2ccccc21	189000762	SRVNNYIJQXZZNM-JQIJEIRASA-N	307.375	1.325	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNC(=O)COc1cc(C)cc(C)c1	182637238	BHCPNXUAAQOECO-CQSZACIVSA-N	322.405	1.892	50	20	DDGD	
O=C(CCn1cccn1)NNc1ccc(C(F)(F)F)nn1	123916964	QRYPVWFWQPDCID-UHFFFAOYSA-N	300.244	1.225	50	20	DDGD	
CN1CCC(=O)Nc2cc(C(=O)NNc3ccccn3)ccc21	181168784	QAUVZZXZCQGPFX-UHFFFAOYSA-N	311.345	1.617	50	20	DDGD	
Cn1cc(-c2nc(C(=O)NNc3ncc(F)cn3)cs2)cn1	122695857	UUFLWZUWMOAZMR-UHFFFAOYSA-N	319.325	1.230	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)COCc2ccccc2)n(C)n1	120983960	ANMIRDOXQBZQJP-UHFFFAOYSA-N	317.349	1.098	50	20	DDGD	
CCCOc1ncccc1CNC(=O)NNc1cccnn1	77665928	FHPPJXUXUVTSLO-UHFFFAOYSA-N	302.338	1.487	50	20	DDGD	
COCCC1(C(=O)NNc2cccc(S(C)(=O)=O)c2)CC1	181120987	ZCSHSGRXNLAPHY-UHFFFAOYSA-N	312.391	1.350	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)cn2)cc1	134717376	IFQWOMYVZRLAEL-UHFFFAOYSA-N	300.705	1.681	50	20	DDGD	
O=C(NNc1cnccn1)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1	133343613	UDRJFSKLZLJFDG-OLZOCXBDSA-N	317.393	1.349	50	20	DDGD	
CCCNC(=O)NNC(=O)CCc1nnc(C2CCCC2)o1	133506320	IFLOULGEMUOAQK-UHFFFAOYSA-N	309.370	1.400	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnn(-c2ccc(F)cc2F)c1C	139179277	PSHJEUOGSQMIDC-UHFFFAOYSA-N	323.303	1.423	50	20	DDGD	
NC(=O)c1cccc(NC(=O)C(=O)NNc2ccccc2F)c1	137244665	COSAOZLCFAWJHP-UHFFFAOYSA-N	316.292	1.006	50	20	DDGD	
Cc1ccc(-c2nc(CC(=O)NNC(=O)C3CC3)cs2)o1	46124917	FLZOKAHRMXTATP-UHFFFAOYSA-N	305.359	1.811	50	20	DDGD	
C[C@@H](CSCc1ccccc1)C(=O)NNC(=O)[C@@H]1CCCO1	133381337	JVQXMUKNGXIMDQ-JSGCOSHPSA-N	322.430	1.882	50	20	DDGD	
Cc1nc(Cl)ccc1NC(=O)NNC(=O)c1ccncc1	194710044	XMSVKTWRLDZGMJ-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
COc1cccc(NNC(=O)NCC2(CN(C)C)CCCC2)n1	192739630	UREYTTDVNUNAFD-UHFFFAOYSA-N	321.425	1.838	50	20	DDGD	
O=C(NCCc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc[nH]1	193824400	DMUPLTVXBXUEQO-UHFFFAOYSA-N	317.305	1.110	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCc2nccs2)cc1	80043183	DUJOCSRFRZKMHR-UHFFFAOYSA-N	304.375	1.850	50	20	DDGD	
O=C(NCCn1ccnc1)NNC(=O)c1c[nH]c2ccccc12	193208185	GMXALTZKWZSPRI-UHFFFAOYSA-N	312.333	1.009	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cccc(OC2CCCC2)c1	190060276	RPZVNQHSWMKKRW-UHFFFAOYSA-N	306.362	1.540	50	20	DDGD	
O=C(NNS(=O)(=O)CCC1CC1)c1ccc(Cl)cc1F	92276881	RWNWVDIPPLBWBM-UHFFFAOYSA-N	320.773	1.843	50	20	DDGD	
COc1ccc(-c2n[nH]cc2C(=O)NNC(=O)C(C)C)cc1	97025050	NBFULMMMFDTOPH-UHFFFAOYSA-N	302.334	1.502	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H](C)c1cnn(C)c1	266755513	NOTNKTWWYMFQQM-SNVBAGLBSA-N	317.349	1.134	50	20	DDGD	
CN(C)Cc1c(C(=O)NNC(=O)C2CC2)oc2ccccc12	265438743	YERDWAYPABJRIF-UHFFFAOYSA-N	301.346	1.665	50	20	DDGD	
CCC[C@@](C)(N)C(=O)NNc1nc2ccccc2c(=O)n1CC	269212503	RMIORRILSOKYPS-MRXNPFEDSA-N	317.393	1.377	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)c2ccc(C)s2)c1C	263790772	IKVKUWDQTPOTBQ-UHFFFAOYSA-N	306.391	1.965	50	20	DDGD	
CC1(C)CCC[C@@H]1NC(=O)NNC(=O)COc1ccccc1O	267573982	NZCGQONDSFWSEH-ZDUSSCGKSA-N	321.377	1.680	50	20	DDGD	
CCC[C@@H](CC)NC(=O)NNC(=O)COc1ccccc1O	264537358	AEIOLKJCMFPEFV-LLVKDONJSA-N	309.366	1.680	50	20	DDGD	
C[C@@H](OC[C@H]1CCCO1)C(=O)NNc1ncnc2ccsc12	268973017	LYHSLOLUVALFED-NXEZZACHSA-N	322.390	1.719	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NC[C@H]1CCCCO1	265843142	XLJZDMRFNRDQOJ-CQSZACIVSA-N	321.377	1.103	50	20	DDGD	
CCC(=O)N[C@@H](CCSC)C(=O)NN(C)c1ccccc1	263784486	MFUXGQUKFIXXAD-ZDUSSCGKSA-N	309.435	1.802	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)/C=C1/CC[C@H](C)C1	267823663	AIQLWIIUNPYULE-IXJPEXDMSA-N	318.373	1.968	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N(C)C)c(Br)s1	268507030	RGMITZPHSYYLRQ-UHFFFAOYSA-N	306.185	1.735	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)COc1ccccc1OC	269483208	MFDWBCLXHNFBQK-LBPRGKRZSA-N	312.391	1.363	50	20	DDGD	
C[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)COc1ccccc1F	264417803	NAKGBHRHCVJWAE-PWSUYJOCSA-N	309.341	1.724	50	20	DDGD	
C=CC[C@H](C)NC(=O)NNC(=O)[C@H]1COc2ccccc2O1	265423695	KNXMWWLXQNXBMA-GXFFZTMASA-N	305.334	1.121	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NC[C@]1(C)CCO[C@@H]1C1CC1	364166939	CTDHZHGQCPAOFR-CJNGLKHVSA-N	311.426	1.958	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)[C@@H]2CC23CCOCC3)c1	367586525	YDYJWPRLERGPGT-ZDUSSCGKSA-N	324.402	1.350	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2cc(C)sn2)c1	278083470	UZGBOADWFJFGPQ-UHFFFAOYSA-N	319.386	1.908	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC2([C@H](C)CCO)CCC2)o1	272158591	ZIEVJVQDDCLUCE-LLVKDONJSA-N	323.393	1.721	50	20	DDGD	
Cn1cc([C@H]2OCC[C@@H]2C(=O)NNc2ccccc2F)cn1	275961950	LZUNXACJQYQRSV-SMDDNHRTSA-N	304.325	1.780	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CCC2)nc(C(F)(F)F)n1	275268747	IZDUVXQASRLAFZ-UHFFFAOYSA-N	302.256	1.365	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)C(=O)N2CCCC2)c1Cl	276548493	ADWMCHNIXHFRFD-UHFFFAOYSA-N	315.782	1.093	50	20	DDGD	
O=C(CCn1ccnn1)NNc1ccccc1OC(F)(F)F	275143090	PCXUNGHCRKTLOP-UHFFFAOYSA-N	315.255	1.710	50	20	DDGD	
CNC(=O)NNC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1	275627212	IAPCBNYFIIGSML-UHFFFAOYSA-N	319.258	1.836	50	20	DDGD	
COC(=O)NNC(=O)CCCOc1ccc(C#N)cc1OC	274290560	MIFQKVILXCKXCY-UHFFFAOYSA-N	307.306	1.113	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H](F)C(F)(F)F)c1O	289896987	IWBVZMUXQXLQAM-MRVPVSSYSA-N	310.203	1.062	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H]1CCc2cn[nH]c2C1	288596205	HSAHTBNFQKNLKR-JTQLQIEISA-N	315.333	1.875	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)c2cccc(C)n2)CCOCC1	280460077	ZRABVAVGLRXPAJ-UHFFFAOYSA-N	320.393	1.541	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H]1C[C@@]12CCOC2)c1ccccc1	376924580	IBYQWFQGVNEROZ-JJRVBVJISA-N	302.374	1.754	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)c3ccccc32)[nH]n1	285688287	QLGHYIJHCYWPCM-LBPRGKRZSA-N	312.329	1.239	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1nc2cc(Cl)ccn2n1	289647547	GBOWVVKIAPZKRP-UHFFFAOYSA-N	311.733	1.081	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccccc2OC2CC2)n1	287756391	XGBDUHHBXZOLGF-UHFFFAOYSA-N	300.318	1.783	50	20	DDGD	
Cc1nn(-c2ccccn2)c(C)c1/C=C(\C#N)S(C)(=O)=O	802703571	HPSJZMSISMVPFV-XYOKQWHBSA-N	302.359	1.793	50	20	DDGD	
O=C(NNC(=O)c1cccnc1F)c1ccc2c(c1)OCO2	806292029	CRYDHLWZGPOSNE-UHFFFAOYSA-N	303.249	1.024	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2	291486558	AVFYXFMEDRIBJG-FIQHERPVSA-N	323.393	1.259	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cc(N(C)C)c2ccccc2n1	809982376	DVUHJTSRTGJFFF-UHFFFAOYSA-N	300.362	1.718	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)CNCC(F)(F)F)c1	293845231	FTZZYZSSEPEKBJ-UHFFFAOYSA-N	304.272	1.240	50	20	DDGD	
CSC[C@H](C)NC(=O)NNc1ccc2c(=O)[nH]ccc2c1	806834069	UUCGZBCLXGHRIN-VIFPVBQESA-N	306.391	1.906	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)[C@H]1OCCc2ccccc21	295675784	XMRBLGXLKMYSOS-KGLIPLIRSA-N	304.346	1.017	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2cccc([N+](=O)[O-])c2)O1	292867443	SODBOGJJWLLQEV-KWQFWETISA-N	308.294	1.315	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H]1CC(=O)N(c2ccccc2F)C1	290955347	MRMMRBFLAMWJDF-LMMOQWNQSA-N	317.320	1.491	50	20	DDGD	
Cc1ccc2cc(C(=O)NNC(=O)[C@@H]3CCCCO3)ccc2n1	295570932	NOUOAJYTACLWBS-HNNXBMFYSA-N	313.357	1.873	50	20	DDGD	
Cc1cc(C)n2nc(C)c(C(=O)NNC(=O)CC(C)C)c2n1	298676979	HSNKNVYDCAOFSW-UHFFFAOYSA-N	303.366	1.462	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)N[C@H]2CCC2(C)C)c1	806022322	VCAJLMDYPKDLLT-ZDUSSCGKSA-N	321.377	1.836	50	20	DDGD	
CN(NC(=O)c1cncc(-n2ccnn2)c1)C(=O)OC(C)(C)C	297203476	KWWJVQXZZPSJRL-UHFFFAOYSA-N	318.337	1.174	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNc1ncnc2ccsc12	809725442	SIUUTYXRQCVLAU-QMMMGPOBSA-N	308.363	1.724	50	20	DDGD	
O=C(Cc1ccc(Cl)cn1)NNc1ncnc2[nH]cnc12	806892400	GLJMSPMEWWXDKV-UHFFFAOYSA-N	303.713	1.087	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccn(-c2cccc(F)c2)n1	819125926	GJVWPPJMAQFOQL-UHFFFAOYSA-N	302.309	1.573	50	20	DDGD	
CN(NC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O)C1CC1	819648602	KLISPNVNUXIYAI-CYBMUJFWSA-N	307.781	1.818	50	20	DDGD	
CCCC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1cccnc1	814815517	ANDVKTAYLCAXLB-LBPRGKRZSA-N	324.406	1.072	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1coc(=O)c2ccccc12	819545152	ZUKGIIGEUHBQBB-CYBMUJFWSA-N	316.313	1.123	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCC2OCCCO2)cc1	819487100	AOWWEFQAPBFEKE-GXDHUFHOSA-N	316.357	1.871	50	20	DDGD	
Cc1ccc2nc(C(=O)NNC(=O)c3cnn(C)c3)ccc2c1	815646606	NJOYIDXLOGMDNI-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)C(=O)Nc1cccc(F)n1	815728192	VGHACXILEVPWCP-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
Cc1cc2ncc(C(=O)NNc3ncncc3F)c(C)n2n1	817081109	QSXRXLWNADFRCB-UHFFFAOYSA-N	301.285	1.032	50	20	DDGD	
C[C@H](Cc1cnc2ccccc2n1)C(=O)NNc1cccnn1	816068106	KANNAJVABPOWRF-LLVKDONJSA-N	308.345	1.742	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)Cc2cccnc2)[C@]12CCCO2	819807727	KTXHVRVCSNMSMA-GDBMZVCRSA-N	303.362	1.454	50	20	DDGD	
COc1ccccc1CCNC(=O)NNc1ncncc1F	814268692	FNLVVAUWUVLUDR-UHFFFAOYSA-N	305.313	1.493	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)Cn2cccn2)cc1OC	814700442	STKUXSVNVYCPRM-UHFFFAOYSA-N	302.334	1.706	50	20	DDGD	
CC(=O)Nc1cccc(C(=O)NNc2ncncc2F)c1C	817079644	VYDGYSZLXFFASJ-UHFFFAOYSA-N	303.297	1.639	50	20	DDGD	
O=C(NN=C1CCN(CCO)CC1)Nc1ccc(Cl)cc1	819812308	BCCJHDXYRGLIPE-UHFFFAOYSA-N	310.785	1.906	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2cc(OC)no2)ccc1C	816689262	AKRRBTOGDOMHFW-UHFFFAOYSA-N	305.290	1.535	50	20	DDGD	
COC(=O)Cc1occc1C(=O)NNc1ccc(OC)cn1	811320037	HHDNGYOIVBRKHY-UHFFFAOYSA-N	305.290	1.156	50	20	DDGD	
CC[C@@H](Cc1ccccc1C)C(=O)NNC(=O)NCCCOC	819163062	FRIMYIJNAWVQET-AWEZNQCLSA-N	321.421	1.931	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CC1CC1)N1CCc2ccccc2C1	819114192	BTRQEJNJCCIQGG-GFCCVEGCSA-N	301.390	1.381	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)c1cccc(N(C)C)c1	812445243	OCXKKBALPXWPTQ-VXGBXAGGSA-N	307.394	1.432	50	20	DDGD	
C[C@H]1Cc2cc(S(=O)(=O)NNC(=O)C3CCCC3)ccc2O1	729964166	XFFUZWXSQNTDAP-JTQLQIEISA-N	324.402	1.510	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCCOCCF)cc1F	824321890	UGANBCIMZBSSRY-UHFFFAOYSA-N	317.292	1.225	50	20	DDGD	
CC(C)[C@@H]1OCCC[C@H]1CNC(=O)/C(C#N)=C\c1cnn(C)c1	491106535	SQPHFXFKHHHWPL-GKZRWMCQSA-N	316.405	1.894	50	20	DDGD	
COc1ccc(NNC(=O)/C=C\c2ccc3c(c2)OCO3)nc1	492762763	NCIUMDVZSVVRKC-CLTKARDFSA-N	313.313	1.975	50	20	DDGD	
COC(=O)N(C)N=C(C)c1ccc(S(=O)(=O)N(C)C)cc1	495613474	RFYBDTZXZPYZNZ-UHFFFAOYSA-N	313.379	1.359	50	20	DDGD	
O=C(NNc1cccc(F)c1F)c1cc(-c2nn[nH]n2)cs1	823280859	HFSZMMSBDYXVTF-UHFFFAOYSA-N	322.300	1.963	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)Cc1csc(-c2ccccc2)n1	823960201	XLSTUTNJBVRAFU-LLVKDONJSA-N	305.403	1.696	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1cccc(N2CCOC2=O)c1	492139406	YOYDOBZQEYJDAF-UHFFFAOYSA-N	305.334	1.254	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2C[C@]23CCc2ccccc23)nc(N)n1	828370834	AQOAKVKULHDKTO-DYVFJYSZSA-N	309.373	1.714	50	20	DDGD	
CCC(CC)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	820893269	LYUBWJOLKMAQSS-UHFFFAOYSA-N	316.365	1.454	50	20	DDGD	
C[C@@H](CBr)CN1CCC2(CC1)CNC(=O)N2C	823649415	DJMFIVIWKKYSAK-JTQLQIEISA-N	304.232	1.507	50	20	DDGD	
CCCCC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C	491498509	IKYYNJCRVINVSV-UHFFFAOYSA-N	302.375	1.032	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2	829227053	DNRKWCMJCYHREV-YUTCNCBUSA-N	323.437	1.117	50	20	DDGD	
COC(=O)NNC(=O)c1cn(C)nc1-c1ccccc1OC	495448833	RGSMJAWDVLWSHV-UHFFFAOYSA-N	304.306	1.097	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCc1ccc(F)cc1F	728951198	AUTFEWLTAQXQHO-UHFFFAOYSA-N	320.299	1.433	50	20	DDGD	
CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)NNC(=O)NC	491057527	RQCOSRWQFWEJIH-CYBMUJFWSA-N	302.375	1.030	50	20	DDGD	
COC(=O)NNC(=O)Nc1cccc(N2CCOC2=O)c1C	491851358	YSPJJRZSHDCWIY-UHFFFAOYSA-N	308.294	1.344	50	20	DDGD	
C[S@](=O)C1(CNC(=O)/C(C#N)=C/c2ccc(F)cc2)CC1	491050401	PQZASPMPXBTEIN-HSRJRILOSA-N	306.362	1.760	50	20	DDGD	
OB(O)c1cccc(CN[C@H]2CCSc3ccc(F)cc32)c1	585014859	GOGAQVXOEWYRJH-HNNXBMFYSA-N	317.194	1.832	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNc1cc(Cl)nc(C)n1	496902581	NHBFOIXQDVYAFL-UHFFFAOYSA-N	301.734	1.016	50	20	DDGD	
CCC(CC)N1C[C@@H](C(=O)NNC(=O)CC(F)(F)F)CC1=O	731808250	MVBADPBSALASQU-QMMMGPOBSA-N	323.315	1.123	50	20	DDGD	
CCN(CCO)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1	823852815	PUHLDASVNQJWMR-INIZCTEOSA-N	305.422	1.244	50	20	DDGD	
C[C@@H](NC(=O)CC(C)(C)C)C(=O)NN(C)C(=O)OC(C)(C)C	496703939	VWARWURUSXRYMW-SNVBAGLBSA-N	315.414	1.825	50	20	DDGD	
CC(C)(C)[C@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1	584952801	XDJYAQKPHGFWHE-ZDUSSCGKSA-N	321.201	1.794	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCOC[C@@H]1c1noc(C(C)C)n1	490847421	XSBBGBMHIGYPKO-JATZPVMKSA-N	320.349	1.537	50	20	DDGD	
CNC(=O)c1ccc(C(=O)NNc2cc(F)c(F)cc2F)cn1	734552714	LWBWLPYCPUNVTB-UHFFFAOYSA-N	324.262	1.615	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cccc(C(=O)N(C)C)c1	901259044	NYJNZZORLQUTCM-SMDDNHRTSA-N	303.362	1.264	50	20	DDGD	
CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)NNc1ccccn1	497157220	BIWQFWCRLZLZSB-NSHDSACASA-N	324.381	1.455	50	20	DDGD	
CC[C@H]1CCCC(=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1	734980651	VHXVXOCFFBLYIX-CMPLNLGQSA-N	301.412	1.429	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1ccnn1CC1CCC1	901260493	YVGFCYOQJJGBMV-GXTWGEPZSA-N	304.394	1.948	50	20	DDGD	
CCN1C[C@@H](NC(=O)NNc2cccc([N+](=O)[O-])c2C)CC1=O	838677615	WISNKODUDIHEFT-JTQLQIEISA-N	321.337	1.150	50	20	DDGD	
C[C@@]1(C(=O)N2CCC(c3nc[nH]n3)CC2)C[C@@H]1Br	906937912	NBVKNRTUBIEVSM-JOYOIKCWSA-N	313.199	1.684	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])[C@]1(F)CCNC1	831827623	QUZRYQFPQWTBJP-NSHDSACASA-N	302.693	1.393	50	20	DDGD	
CCN(CC(=O)NNc1ccc(F)c(C(=O)OC)c1)C1CC1	837035648	DYLHDHDASBBWKD-UHFFFAOYSA-N	309.341	1.540	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccnc(Cl)c1F	834961432	HKVHCXPDTFDDPZ-UHFFFAOYSA-N	314.748	1.629	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C2(C(=O)O)CC2)c1C	738310741	OZYNOKXHDFLHJR-NSHDSACASA-N	320.345	1.083	50	20	DDGD	
Cc1cc(O[C@@H](C)C(=O)N2CC[C@@H](B(O)O)C2)ccc1Cl	585076583	NNOMWMXIZQMSIZ-WDEREUQCSA-N	311.574	1.491	50	20	DDGD	
CCc1c(C(=O)NNC(=O)C(C)(C)c2ccccc2)cnn1C	731175503	YXLULHMOVGBPBG-UHFFFAOYSA-N	314.389	1.721	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CC[C@](F)(C(=O)O)C1	909306232	FHXOPQGEYQTBOC-RDDDGLTNSA-N	310.163	1.821	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C[C@H]2CCCOC2)ccc1F	837039652	SGEISCNPZWUTGY-SNVBAGLBSA-N	310.325	1.872	50	20	DDGD	
C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccc(B(O)O)cc1	584956756	HQIDVQHOJDXLCU-NSHDSACASA-N	303.192	1.131	50	20	DDGD	
O=C(NNc1ccc(Cl)c(F)c1)C1(CO)CCOCC1	837488407	IERRHPYCAALLFW-UHFFFAOYSA-N	302.733	1.711	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1cccc(-n2cccn2)c1	735028346	JXJOQMSTBHTGNH-UHFFFAOYSA-N	307.313	1.342	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1C[C@@H](C)C[C@H]1C	839494449	LRHAJFRDLYUIOS-GXTWGEPZSA-N	303.406	1.415	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NNC(=O)C2CCC2)C1	732142342	XDXVCWILBLUKOT-DGCLKSJQSA-N	309.410	1.219	50	20	DDGD	
CCCC1CCC(=NNC(=O)[C@@H]2CCS(=O)(=O)C2)CC1	730575605	FQPWADPEUTZWAJ-PIJUOVFKSA-N	300.424	1.884	50	20	DDGD	
COc1cccc(N2CC[C@@H](NS(=O)(=O)CCl)C2)c1	830374244	DAOWCCWBHUCJGN-SNVBAGLBSA-N	304.799	1.390	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccc(C(=O)O)s2)n1	737384281	SDRWTUWKQXVYRY-UHFFFAOYSA-N	307.335	1.059	50	20	DDGD	
CN(CC(=O)NNc1nc(-c2ccccc2)no1)C(=O)C1CC1	733155343	RGXUDYNLJNVNIU-UHFFFAOYSA-N	315.333	1.048	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)OCCCCC(=O)O)cc(C#N)n1C	738190567	HQHTVZUOCYVQMR-NTUHNPAUSA-N	315.329	1.910	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNc2ccc(C(=O)O)cn2)[nH]n1	833446540	CNUUDYRRJCSFJQ-UHFFFAOYSA-N	303.322	1.557	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)N3CC[C@@H](B(O)O)C3)n[nH]2)cc1C	585066737	QQJYSMKRISLMGT-CYBMUJFWSA-N	313.166	1.382	50	20	DDGD	
CCS(=O)(=O)CC(C)=NNC(=O)Cc1ccccc1F	733747957	ZBWYZCLCYJDVBN-UHFFFAOYSA-N	300.355	1.295	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2nn(-c3ccccc3)cc2O)[C@@H](C)O1	834930743	KWRNWDYRDKRWDD-GHMZBOCLSA-N	314.345	1.861	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1noc(-c2cccc(F)c2)n1	746120528	APKLODCVXUFMOU-UHFFFAOYSA-N	318.308	1.827	50	20	DDGD	
CC(=NNC(=O)Cc1cccnc1)c1ccc([S@](C)=O)cc1	746370707	OSPQWIFSUVEOFX-QFIPXVFZSA-N	315.398	1.902	50	20	DDGD	
COc1cccc(C=NNC(=O)Cc2csc(C)n2)c1O	916317391	MLODIXNPHRYYCM-UHFFFAOYSA-N	305.359	1.859	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)[C@@H]1CCc2ncncc2C1	844132430	HDUFXKZJQOXFDO-GFCCVEGCSA-N	302.378	1.309	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CCCn1ccnc1	748630932	PTFRGMPCZUPZED-UHFFFAOYSA-N	316.361	1.062	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)/C=C\c1cccnc1	910188106	VJDIAAFGUWOTLY-DGMVEKRQSA-N	319.361	1.220	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CCOCC(C)C)cc1	846371256	YZZGBZYKOPGAFK-UHFFFAOYSA-N	308.378	1.908	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCOC1CCCC1	918084756	IRQBVBSIMIWXRK-UHFFFAOYSA-N	305.378	1.898	50	20	DDGD	
COc1cc(C=NNC(=O)CC(F)(F)F)cc2c1OCO2	917551432	QFIYIDOVIXGOLQ-UHFFFAOYSA-N	304.224	1.826	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1ccc(OCCN(C)C)cc1	842554736	KJSNLDZOJNZBDN-BBRMVZONSA-N	319.405	1.502	50	20	DDGD	
CC[C@@H](Nc1ccccc1)C(=O)NNC(=O)Cc1ccncc1	747429695	PZZUFGPVZKJNKL-OAHLLOKOSA-N	312.373	1.662	50	20	DDGD	
CO[C@]1(C=NNC(=O)NCc2ccc(Cl)cc2)CCOC1	841624171	CKOLQQRSWIMUDV-AWEZNQCLSA-N	311.769	1.931	50	20	DDGD	
CCc1cc(CNC(=O)NNC(=O)CCc2ccccc2)on1	741277267	WEIGRGKGXLRUAH-UHFFFAOYSA-N	316.361	1.700	50	20	DDGD	
CC[C@@H](N)CNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	842007431	PPJJYSBCGRQVPN-CYBMUJFWSA-N	306.410	1.665	50	20	DDGD	
C[C@H](C(=O)NNc1ncc(Br)cn1)C(C)(F)F	848322455	CGFZKLLWAKCEFR-RXMQYKEDSA-N	309.114	1.974	50	20	DDGD	
NC[C@@H](NC(=O)NNC(=O)c1ccc(Cl)cc1)C1CCCC1	841984080	AYOGYPXXAUUNTN-CYBMUJFWSA-N	324.812	1.802	50	20	DDGD	
Cn1ccnc1[C@H](CC(=O)NNc1ccncn1)C(F)(F)F	848163478	KIOSDUMBVNSFHV-QMMMGPOBSA-N	314.271	1.389	50	20	DDGD	
COC1([C@H](C)NC(=O)NNC(=O)c2cccc(C)n2)CCC1	840456067	IESKTVIVNODDNW-NSHDSACASA-N	306.366	1.292	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1ccc(CC(=O)O)cc1	842553229	GCVHRSICCVANRG-RISCZKNCSA-N	304.346	1.579	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H]2CCO[C@@H]2C)ccc1-n1cncn1	842552109	HHNOMLRMMOKRFC-OCCSQVGLSA-N	313.361	1.451	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)c1nnc(O)c2ccccc12	746822438	ZOZHONQOGKLPDR-SNVBAGLBSA-N	320.374	1.238	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)C(=O)NNc1cccc([N+](=O)[O-])c1	748004384	HFVNTPPMTNGIAY-UHFFFAOYSA-N	317.305	1.271	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1c[nH]c2ccc(C)cc12	748253887	UUOJGRWFVYSWTI-GFCCVEGCSA-N	303.362	1.978	50	20	DDGD	
CCC[C@H](O)[C@H](CO)NC(=O)[C@H](Br)C(C)(C)C	840551954	QCGPECQUIOCWEY-GUBZILKMSA-N	310.232	1.434	50	20	DDGD	
O=C1CC[C@@]2(C(=O)NNc3c(F)cccc3F)SCCN12	748175281	FQYZNYIFHRLULL-ZDUSSCGKSA-N	313.329	1.473	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NC[C@H]1CCCCN1	841922362	OQCRQLZQNUNBOS-OAHLLOKOSA-N	318.421	1.482	50	20	DDGD	
NCCOc1ccc(NC(=O)NNC(=O)CC2CCCC2)cc1	841323003	VVKHGJYBMQMNOI-UHFFFAOYSA-N	320.393	1.757	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1nccs1	841644515	KYHGHKQXMQPMPZ-SNVBAGLBSA-N	322.390	1.510	50	20	DDGD	
Cc1ccsc1CCCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843663691	XZCANXMVWRHXJM-VXGBXAGGSA-N	310.419	1.952	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)C[C@@H](OC)C1CCCCC1	849393101	YOXSMPYZNGZOIE-LLVKDONJSA-N	308.400	1.114	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)COc2cccc(C#N)c2)n1	748338508	FSGXKHSUFLHDSD-UHFFFAOYSA-N	317.736	1.832	50	20	DDGD	
O=C(NN=Cc1ccccc1OC(F)F)C(=O)N1CCCC1	748137481	ITCVGAHMJOIBSE-UHFFFAOYSA-N	311.288	1.361	50	20	DDGD	
CC(C)CCn1cc(C(=O)NNC(=O)CC(F)(F)F)nn1	740923796	LGNMIHVZUVAGPH-UHFFFAOYSA-N	307.276	1.038	50	20	DDGD	
COc1cc(C)cc(C(=O)NNC(=O)Cc2ccncc2)c1O	747516079	YCPZJYCNRFFBKV-UHFFFAOYSA-N	315.329	1.108	50	20	DDGD	
COC1([C@@H](C)NC(=O)NNC(=O)c2cccc(C#N)c2)CCC1	840453698	KSYCHKWNBGLLKZ-LLVKDONJSA-N	316.361	1.460	50	20	DDGD	
C=C[C@H](CC)CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	929233044	VHTUEHYJNUPOGB-RISCZKNCSA-N	304.346	1.576	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2ncncc2C1)c1ccccc1F	843516807	DSHZBGUKTZMOIX-SNVBAGLBSA-N	314.320	1.182	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc(-n2ccnc2O)cc1	846634505	XLKBOCLULQOAIY-UHFFFAOYSA-N	316.361	1.775	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)[C@@H]1CCCOC1	848320212	MQNSWCOPNHWFAE-SSDOTTSWSA-N	301.144	1.109	50	20	DDGD	
COc1ccc(C2(C(=O)NNC(=O)C(C)C)CCC2)cc1OC	754346308	MDJVEFASSNLRFV-UHFFFAOYSA-N	320.389	1.929	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(C(F)(F)F)ccc1F	854924163	FOFSYDYORKQMTE-UHFFFAOYSA-N	309.288	1.925	50	20	DDGD	
C[C@H]1C[C@H]1C(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1	753780145	OKMPKOYCKGZSKY-GZMMTYOYSA-N	310.737	1.300	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1ccc(C#N)c(Cl)c1)C(C)C	753313157	KDIXDITYTZRRHB-ZDUSSCGKSA-N	308.769	1.815	50	20	DDGD	
CNC(=S)N(C)NC(=O)CN(C)c1nc2ccccc2s1	854926231	UPDXAENFTJQXOC-UHFFFAOYSA-N	323.447	1.200	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)C[C@@H]1CSCCS1)C1CC1	752312973	JQGPTKQPZBWOTL-WCBMZHEXSA-N	319.521	1.519	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1	758724672	MZGJDPAQZMQIIG-WUHRBBMRSA-N	315.414	1.193	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc2oc(S)nc2c1	854682729	GFEDLRPDOZMBNO-NSHDSACASA-N	321.358	1.447	50	20	DDGD	
CN(C)Cc1ccsc1C(=O)NNC(=O)c1ccccc1	756037838	NFGWTGTWESFWEE-UHFFFAOYSA-N	303.387	1.885	50	20	DDGD	
CC1CCC(CNC(=O)NNC(=O)c2cccc(F)n2)CC1	852709114	CXUUDQHEJVCNOT-UHFFFAOYSA-N	308.357	1.991	50	20	DDGD	
O=C(NNC(=O)C1(c2cccc(F)c2)CCCC1)c1cc[nH]n1	855359522	VDSXOTVKQBTNBQ-UHFFFAOYSA-N	316.336	1.822	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@@H]2CCCCN(C)C2)n1	858411027	AXWDKFVMBOOWSQ-ZDUSSCGKSA-N	319.409	1.066	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNc1ncc(Cl)cn1	857356737	VUZJYSRZIUOBNE-MRVPVSSYSA-N	322.800	1.802	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)/C=C\C1CCCC1	855825607	IQZTWXNQSKIIDM-KHPPLWFESA-N	323.437	1.823	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cccc(NC(C)=O)c1C	929510617	OZUSENLLKIAPHF-UHFFFAOYSA-N	316.361	1.910	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)CCCc1cccnc1)C1CC1	855095933	TYKUGQZOVXZVSB-NSHDSACASA-N	306.435	1.698	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=C[C@H]1C[C@H]1c1ccccc1	755753873	NTCUNYGCHXZOMR-YPMHNXCESA-N	312.329	1.336	50	20	DDGD	
C[C@@H]1CC/C(=C/C(=O)NNC(=O)c2ccc3c(c2)OCO3)C1	753561472	CIKUHRZFULZGEM-PAKSIRSJSA-N	302.330	1.923	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2CCCN(CC(F)F)C2)nc1	924815773	RIJGXDPHPILRCH-LLVKDONJSA-N	309.320	1.373	50	20	DDGD	
CC[C@@H]1CN(C(=O)NC[C@]2(C)C[C@H]2Br)CC[C@H]1N	857106052	YFNQYVZGJVFYSC-UZWSLXQKSA-N	318.259	1.929	50	20	DDGD	
Cc1nc(C)c(S(=O)(=O)NNC(=O)C2CCCC2)s1	751210126	OFTBPZPSFZQLHJ-UHFFFAOYSA-N	303.409	1.260	50	20	DDGD	
COc1ccc(C#N)cc1NC(=O)NNC(=O)c1ccc(C)o1	756273725	LNZXYFIOAFXGJT-UHFFFAOYSA-N	314.301	1.935	50	20	DDGD	
C[S@](=O)c1ccc(CNC(=O)NNC(=O)C2CCCC2)cc1	753051568	QAUKMGRTXPTNCZ-QFIPXVFZSA-N	323.418	1.445	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1cccc(F)n1)[C@H]1CC1(C)C	852385799	UQEWSYIDYVEATK-NXEZZACHSA-N	308.357	1.989	50	20	DDGD	
C[C@@]1(CNC(=O)CCOCC(F)F)C[C@@H]1Br	857390586	GBXMIJXCNSNLPI-XVKPBYJWSA-N	300.143	1.948	50	20	DDGD	
Cc1ccc(NNC(=O)CCSc2nnnn2C)cc1F	856230821	DIWSTOXRLYVBKI-UHFFFAOYSA-N	310.358	1.283	50	20	DDGD	
CC[C@H]1C[C@H](C)CN1CC(=O)NNC(=O)c1cccc(C#N)c1	756545164	QJVNHBICDWNSOZ-WFASDCNBSA-N	314.389	1.440	50	20	DDGD	
COCCOCC(=O)NNC(=O)CCCc1sccc1C	869908629	SEJIHTXSOKIGLA-UHFFFAOYSA-N	314.407	1.190	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H](NC=O)C(C)C	862000645	NHNNOANUJAPBRO-JTQLQIEISA-N	313.789	1.467	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2CCSC2)c1	761783999	LUELWDGOBVQRHQ-VIFPVBQESA-N	310.375	1.218	50	20	DDGD	
C#CCNC(=O)COC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	869465175	WSGWMDKFXMEEEW-OPQQBVKSSA-N	314.179	1.233	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1cscn1	767893233	NGBAWSWWZWUZHU-ZDUSSCGKSA-N	303.343	1.823	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCN2C2CCCC2)cc1O	862468969	UXTHWIOCNMJVKY-AWEZNQCLSA-N	317.389	1.479	50	20	DDGD	
COc1ccc(OCC(=O)NNc2ncc(F)cn2)cc1C	760911806	GOIUBLABQJYOAA-UHFFFAOYSA-N	306.297	1.455	50	20	DDGD	
C[C@@H]1CN(CCNC(=O)[C@@H](Br)C(C)(C)C)CCO1	767933694	ADZOFSLWYACKKA-GHMZBOCLSA-N	321.259	1.633	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F	762552493	YWEPWYQJHZNJKN-UHFFFAOYSA-N	311.313	1.815	50	20	DDGD	
CCSc1ccc(C(=O)NNc2nccnc2OC)cn1	764469978	ARFNNYYTWKNEQX-UHFFFAOYSA-N	305.363	1.749	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCOCC(F)(F)C(F)F	764780412	OYSWDCXEIFZLOG-UHFFFAOYSA-N	317.283	1.280	50	20	DDGD	
CCc1ccc([C@@H](C)CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1	862454513	HMYWYEKGXVLTTC-FZMZJTMJSA-N	317.389	1.169	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@@H]1CCc2ncncc2C1	863102689	SNBWPPHULOPLAD-SSDOTTSWSA-N	324.253	1.400	50	20	DDGD	
CSCc1ccc(NC(=O)C(=O)NNC(=O)C(C)C)cc1	763831269	DYWVABABABGQQU-UHFFFAOYSA-N	309.391	1.292	50	20	DDGD	
COC1(C=NNC(=O)c2cccc([N+](=O)[O-])c2)CCOCC1	761723566	DBZYLDHQRPRXNI-UHFFFAOYSA-N	307.306	1.506	50	20	DDGD	
CC1(C)[C@]2(C(=O)NN=c3cc[nH]cc3Cl)CC[C@@]1(C)C(=O)O2	860854980	OBZFNAYXBUPEBH-LSDHHAIUSA-N	323.780	1.722	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)NCCc2cccs2)c1C	865016493	KGHVMHDOCPGETB-UHFFFAOYSA-N	321.406	1.460	50	20	DDGD	
Cc1cccc([C@@H]2C[C@H]2C(=O)NNC(=O)NCC(F)(F)F)c1	861514758	JTFXPFTZWYOSHB-WDEREUQCSA-N	315.295	1.991	50	20	DDGD	
CCc1noc(C)c1C(C)=NNC(=O)[C@@H](C)CN1CCOCC1	769796897	NHUXBRXXXMRUNI-NSHDSACASA-N	322.409	1.354	50	20	DDGD	
O=C(NNC(=O)c1coc(C2CCOCC2)n1)c1ccncc1	767396052	KANLSJITIIDJDJ-UHFFFAOYSA-N	316.317	1.038	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc(-c2csnn2)cc1	861842213	DDQALOCVTODPEZ-UHFFFAOYSA-N	302.359	1.766	50	20	DDGD	
COCC(=O)NN=Cc1c(C)nn(Cc2ccccc2)c1Cl	761818353	IFUULOQBNAUBEQ-UHFFFAOYSA-N	320.780	1.990	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCCc2ccnn2C)cc(C#N)n1C	762710275	QKOWCIZCLIECOM-ZSOIEALJSA-N	322.372	1.205	50	20	DDGD	
O=C1CC[C@@]2(C(=O)NNc3nc4ccccc4[nH]3)SCCN12	870213259	WZIDCRIOILSBCB-AWEZNQCLSA-N	317.374	1.072	50	20	DDGD	
CO[C@H]1c2ccccc2C[C@H]1NC(=O)NN=c1cc[nH]c(C)c1	875665846	ZTMJWVYKXRIGBF-CVEARBPZSA-N	312.373	1.750	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H](C)N1CCc2ccccc21	875100827	HDSXZSJFLXCRBZ-LLVKDONJSA-N	306.366	1.350	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccc(N2CCCC2)nc1	875062519	VSQCDQZAKHGAHV-UHFFFAOYSA-N	307.354	1.094	50	20	DDGD	
CCCn1cc(C=NNC(=O)CNc2ccccc2OC)nn1	872328586	YPVUKEVYQVBLFH-UHFFFAOYSA-N	316.365	1.259	50	20	DDGD	
O=C(COC(=O)C[C@@H]1C=CCCC1)NNC(=O)c1cccs1	778397687	CVVAACJXRGGKLC-LLVKDONJSA-N	322.386	1.799	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1ccc2c(c1)CCC2	1116146109	XAULXBYVHIQPKD-AWEZNQCLSA-N	315.417	1.594	50	20	DDGD	
CCOC(=O)NN=Cc1ccc(OCCN2CCOCC2)cc1	872326453	JOIOKACOGWTILA-UHFFFAOYSA-N	321.377	1.478	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN[C@@H](CCCO)c1ccccc1	775456543	YSLNRMGYZJACFS-AWEZNQCLSA-N	321.421	1.283	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1nc2ccccc2s1	872403216	JRAHTHONIQCCBM-UHFFFAOYSA-N	307.375	1.800	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNC(=S)Nc1cccc(C)c1	873776197	AEBUYNXTYZWAEU-GFCCVEGCSA-N	323.418	1.902	50	20	DDGD	
Cc1cccc(NNC(=O)NCCN2CCN(C)C(C)(C)C2)n1	875558588	FTIGFTWENLTWBE-UHFFFAOYSA-N	320.441	1.042	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccccn2)c(C)n1CC1CC1	1115988571	LFSVGZDDCYFYGD-UHFFFAOYSA-N	312.373	1.985	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C	875126641	SJMWBZIJYYHUCR-GFCCVEGCSA-N	312.345	1.341	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)c1cccc2ncccc12)C(C)C	771327668	KVPPMFNEOZOCNK-CQSZACIVSA-N	301.346	1.667	50	20	DDGD	
COCCC1(C(=O)NNC(=O)c2cc3c(s2)CCC3)CC1	773251214	JZRIZZQETHAGKG-UHFFFAOYSA-N	308.403	1.815	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCCC1(C)C	772598225	AKWADZULQFZWCA-NWDGAFQWSA-N	312.410	1.938	50	20	DDGD	
CC(=O)N1C[C@@H]2CN(C[C@@H](CBr)C3CC3)C[C@@H]2C1	880314263	YAOGJJSNBZTVMP-MCIONIFRSA-N	315.255	1.818	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2nccs2)cc1OC	770079287	DSZQDDDZAJJBLF-UHFFFAOYSA-N	307.331	1.235	50	20	DDGD	
O=C(NNC(=O)C1CC(c2ccc(F)cc2)C1)c1cccnn1	882059569	OYMDIEPMEVEDNT-UHFFFAOYSA-N	314.320	1.571	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc(O[C@@H](C)CC)n1	880898618	FBBBVRSOJAYROT-JTQLQIEISA-N	309.370	1.957	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@@H]2C2CC2)c1	777579197	SYTWAGZFJZJGKA-OAHLLOKOSA-N	301.390	1.630	50	20	DDGD	
Cn1nnc2c1CC[C@@H](NC(=O)c1cccc(CCl)c1)C2	1120753642	WRTLZVRMTIVSEO-GFCCVEGCSA-N	304.781	1.841	50	20	DDGD	
C[C@H](CC(=O)O)NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	776632600	WZKNKZJDLHGZEL-JDVQERKKSA-N	304.184	1.920	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1cccc(Cl)c1	772085240	YGJRZVGEGCYHQH-SECBINFHSA-N	312.753	1.372	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(OC)c(OC)cc1C	887145448	DXLTWNFLXUEHGG-UHFFFAOYSA-N	304.346	1.577	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(F)c(F)c1)n1nnnc1C(C)(C)C	885113127	PHMRKVAJDPJDET-MRVPVSSYSA-N	324.335	1.953	50	20	DDGD	
C[C@H](OC(=O)/C(C#N)=C/c1ccccc1)C(=O)N1CCNC1=O	785345455	PNQWEOUKCLJNHP-GJSJWPQCSA-N	313.313	1.077	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1CCN(c2ccccc2F)C1	887148910	BJSMMQZBSZLHSP-CYBMUJFWSA-N	317.364	1.603	50	20	DDGD	
COc1ncncc1NC(=O)C(=O)NNc1ccccc1Cl	784773625	JWBNAPNJTPSLEG-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
CCC(=NNC(=O)COc1ccccc1OC)c1cn[nH]c1	788953834	FXSUOVWGMWTPKC-UHFFFAOYSA-N	302.334	1.728	50	20	DDGD	
Cn1ncc(Cl)c1C=NNC(=O)c1ccc2c(c1)OCCO2	780208904	BUQVPRVACINHLB-UHFFFAOYSA-N	320.736	1.609	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2cc(C)nc(C)n2)cc1	783327033	VQBOFIAXDOHEBV-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
COc1cc(C=O)c(OS(=O)(=O)CCCCl)cc1OC	882034723	XZKWGLYJKGHPJU-UHFFFAOYSA-N	322.766	1.854	50	20	DDGD	
CCS[C@@H]1CCC[C@H](NC(=O)NNC(=O)c2cccnn2)C1	883493496	MRTQEXYYAXAZBM-WDEREUQCSA-N	323.422	1.485	50	20	DDGD	
Cn1ccnc1[C@@H]1C[C@@H](NS(=O)(=O)CCCCl)CCO1	882245770	MKDNIOPDYSDTOO-QWRGUYRKSA-N	321.830	1.189	50	20	DDGD	
Cc1cc(F)cc(-n2cc(C(=O)NNc3ncccn3)nn2)c1	789891278	SMOPVFJTBFZGOE-UHFFFAOYSA-N	313.296	1.262	50	20	DDGD	
CO[C@@H](C)CCC(=O)NNc1ccccc1S(C)(=O)=O	782737192	RHKFPWMNBORQJK-JTQLQIEISA-N	300.380	1.348	50	20	DDGD	
CC[C@H](C)CC[C@@H](O)CC(=O)NNC(=S)NC(C)(C)C	899997288	ODUGPPZIVQLTBK-WDEREUQCSA-N	303.472	1.858	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1C=NNC(=O)Cc1cc(O)nc(S)n1	783823034	YXUHBYZQPRKKBC-NXEZZACHSA-N	308.407	1.942	50	20	DDGD	
CC(C)Oc1ccc(NC(=O)C(=O)NNc2ccccc2)cn1	784767482	USYAPOXMXWCDOD-UHFFFAOYSA-N	314.345	1.951	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)cc1	786687357	KSRJESLYNGIINH-KGLIPLIRSA-N	317.389	1.302	50	20	DDGD	
O=C(CCc1cnccn1)NNC(=O)c1cccc(Cl)c1	792803814	FOSSQRVOMQEEQO-UHFFFAOYSA-N	304.737	1.524	50	20	DDGD	
COC(=O)c1occc1C=NNC(=O)Cc1nc(C)cs1	794775517	ZPMAMAZCOQQBOB-UHFFFAOYSA-N	307.331	1.524	50	20	DDGD	
COC(=O)[C@H](NNC(=O)c1cccc(C)n1)c1cccc(C#N)c1	795469650	UTHSNWYXEKVTIV-OAHLLOKOSA-N	324.340	1.410	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2csc(C3CC3)n2)n1	794087563	QDQQIJUJGXCLEC-UHFFFAOYSA-N	302.359	1.799	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)C(C)(C)C)C[C@]2(CCCOC2)O1	796548988	FDPXBEFTTOKKOU-ABAIWWIYSA-N	313.398	1.043	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)C(C)(C)C(F)F	792657339	DDKINJQDMUIFNC-UHFFFAOYSA-N	323.340	1.340	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H](C)N1CCc2ccccc2C1	798306027	QEEBEYNTOCHXNA-GFCCVEGCSA-N	318.446	1.115	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNC(=O)Nc1ccccc1C	798312587	HTNPVVCOUHRVOX-AWEZNQCLSA-N	300.362	1.245	50	20	DDGD	
Cc1cc(NNC(=O)c2ccn(-c3cccc(C#N)c3)n2)ncn1	799099931	IQKBHESBDJISKV-UHFFFAOYSA-N	319.328	1.599	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(F)ccc1-n1cccn1	793785019	GSICMMQRUITRHK-UHFFFAOYSA-N	305.313	1.318	50	20	DDGD	
CC[C@@H](C)CC[C@H](O)CC(=O)NNC(=O)NCc1ccco1	793207765	QSDBEBGSBJFJJJ-NEPJUHHUSA-N	311.382	1.687	50	20	DDGD	
COC(=O)c1occc1C=NNC(=O)c1n[nH]c2c1CCCC2	1318032332	ONUYNXDFDYWTGF-UHFFFAOYSA-N	316.317	1.432	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2cccc([N+](=O)[O-])c2)n1	1322853493	YVQNXVJGWQYRGX-UHFFFAOYSA-N	315.289	1.106	50	20	DDGD	
C=C[C@](C)(CCOC)C(=O)NNC(=O)COc1ccc(F)cc1	1324343347	CQWQOUBUDYVSNN-MRXNPFEDSA-N	324.352	1.581	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2nncc(N)c2Cl)CS1	1325275862	WLKODUHFQYINGC-PHDIDXHHSA-N	302.791	1.232	50	20	DDGD	
O=C(NC/C=C/C1CC1)NNC(=O)c1cc([N+](=O)[O-])ccc1O	1325498736	OEAOSLYRAHJWNC-OWOJBTEDSA-N	320.305	1.211	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cnc(C2CC2)[nH]1	1324243651	FOOCNXZKQQPDKI-UHFFFAOYSA-N	300.318	1.831	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CCO)nn1C1CCCCC1	1329962489	HYUNJVJAYRKXTK-UHFFFAOYSA-N	309.370	1.232	50	20	DDGD	
Cc1ccc(C(=O)NCC(=O)NNc2cccc(F)n2)s1	1322778219	XEZDSXJNMUJPQH-UHFFFAOYSA-N	308.338	1.464	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1CC12CCS(=O)(=O)CC2	1330489177	SCJBPVBWOBYCFQ-QMMMGPOBSA-N	314.234	1.463	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@@H]2CCCCN2C)c1	1341975574	PLKBBUMWUPWFTQ-NSHDSACASA-N	310.423	1.485	50	20	DDGD	
CCCNC(=O)[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(O)cc1	1353858439	FOQZVCPCFCJDKT-VSXLWIIGSA-N	301.346	1.330	50	20	DDGD	
C[S@](=O)CCCNC(=O)NNc1ncnc2ccsc12	1357683589	ZYMCOFPQYLDNEL-FQEVSTJZSA-N	313.408	1.086	50	20	DDGD	
N#Cc1ccc(NC(=O)NNc2ccc(CC(=O)O)cc2)nc1	1608208455	ZBMWSPIMMLIRGG-UHFFFAOYSA-N	311.301	1.729	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)[C@]23C[C@H]2COC32CCC2)cc1	1602129262	WCUHAQPLHPQNTG-SJCJKPOMSA-N	316.357	1.716	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21	1602230005	AJYIXAHEBLZHBV-JUOYZQDGSA-N	306.293	1.390	50	20	DDGD	
N#Cc1ccc(NNC(=O)COCC(=O)O)c(C(F)(F)F)c1	1601107899	PTYFWLPYPCHMHX-UHFFFAOYSA-N	317.223	1.121	50	20	DDGD	
CCn1ncc(C)c1NC(=O)NNc1ccc(CC(=O)O)cc1	1605941448	WYBNOBBYERMPIQ-UHFFFAOYSA-N	317.349	1.987	50	20	DDGD	
O=C(Cn1ccc(C(=O)O)n1)NNc1ccc(Cl)cc1F	1608378336	ZUNYVMDUKHYSRB-UHFFFAOYSA-N	312.688	1.517	50	20	DDGD	
O=C(O)CCCNC(=O)NNc1cccc2c1OC(F)(F)O2	1601991687	BAMMAUGOHWAJLV-UHFFFAOYSA-N	317.248	1.499	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc(/C=C/C(=O)O)o2)n1	1600182309	BVFYVXVCMROAPV-GQCTYLIASA-N	302.290	1.541	50	20	DDGD	
Cn1c(C=NNC(=O)c2ccc(O)c(Cl)c2)ccc1C(=O)O	1600912637	SXOLBBLBOWFRCA-UHFFFAOYSA-N	321.720	1.846	50	20	DDGD	
O=C(O)Cc1ccc(NC(=O)NNC(=O)c2ccccn2)cc1	1610793026	BUWKZIKDRYNYTN-UHFFFAOYSA-N	314.301	1.175	50	20	DDGD	
Cc1cc(C)c(C(=O)NNc2cccc(C(=O)O)c2)c(O)n1	1610450053	HUKTZWWJHPJMMH-UHFFFAOYSA-N	301.302	1.859	50	20	DDGD	
COc1nccnc1NNC(=O)C12CCC(C(=O)O)(CC1)CC2	1610373308	WQEWDABROSXJBR-UHFFFAOYSA-N	320.349	1.354	50	20	DDGD	
N#Cc1ccc(Br)c(NNC(=O)[C@@H]2CCNC2)c1	1574244991	DZLKFGMEEIYGLN-SECBINFHSA-N	309.167	1.373	50	20	DDGD	
C[C@@H](NC1CC1)C(=O)NNC(=S)Nc1cccc(Cl)c1	1576238067	DNQIOPYTVNHBNG-MRVPVSSYSA-N	312.826	1.798	50	20	DDGD	
CC(C)(C)OC(=O)c1cccnc1NNC(=O)C1(N)CCC1	1575246500	JAXPQONQXCJZLM-UHFFFAOYSA-N	306.366	1.361	50	20	DDGD	
O=C(C(Cl)Cl)N1CC2(CCCN2C(=O)C(F)F)C1	1842668022	WZMIJPPPGUWTDL-UHFFFAOYSA-N	301.120	1.259	50	20	DDGD	
Cn1cccc1C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1842362661	OKKXFEZCMOSZNO-NSHDSACASA-N	313.760	1.377	50	20	DDGD	
C[C@]1(C(=O)NC[C@H](CC(=O)O)C2CC2)C[C@H]1Br	1593749686	SEOGAWRLXBZBIS-SBMIAAHKSA-N	304.184	1.777	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2cscc2-c2nn[nH]n2)c1	1592700153	GICUTVGMWLQRAQ-UHFFFAOYSA-N	311.330	1.557	50	20	DDGD	
N#C[C@]1(C(=O)NNc2ncccc2C(=O)O)CC2CCC1CC2	1594600670	ABXHNRGRZDJFKP-CLIRUNRCSA-N	314.345	1.943	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc(CCC(=O)O)c1	1594867108	WHTPUXYUIVJLSB-JTQLQIEISA-N	307.350	1.903	50	20	DDGD	
CCCC(=O)NN=Cc1ccc(OCCC(=O)O)c(OC)c1	1776107329	VCCBYXIPDVXKKE-UHFFFAOYSA-N	308.334	1.799	50	20	DDGD	
CC(=NNC(=O)Cc1csc(C)n1)c1cncc(C(=O)O)c1	1776029119	PUSBFBIHAWOKBB-UHFFFAOYSA-N	318.358	1.628	50	20	DDGD	
CCCCNC(=O)NN=Cc1cc(C(=O)O)ccc1N(C)C	1776039174	URJYUUYLFXPHKW-UHFFFAOYSA-N	306.366	1.884	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2cc(C(=O)O)co2)cc1	1776023686	LHYCSXZNOPHWDB-UHFFFAOYSA-N	302.286	1.815	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1	15793652	YVOPMMXJDCEGAT-UHFFFAOYSA-N	309.281	1.362	50	20	DDGD	
NC(=O)Nc1cccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)c1	151162516	ZHGDPKCGOBGANE-UHFFFAOYSA-N	315.289	1.842	50	20	DDGD	
CCO[C@H](C)C(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	151118743	UUARIARMJWGHBT-MRVPVSSYSA-N	308.363	1.324	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2csc3c2CCCC3)[nH]n1	153322929	VYPPDISICFOMSY-UHFFFAOYSA-N	304.375	1.733	50	20	DDGD	
CC(C)CCC[C@@H](C)NC(=O)NNC(=O)C(=O)N1CCCC1	155015251	ZLGBWWOLAYRJTE-GFCCVEGCSA-N	312.414	1.154	50	20	DDGD	
Cc1onc(-c2ccccn2)c1C(=O)NNC(=O)c1ccc[nH]1	157196991	WQVLYXCTCMBYSI-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc3c(c2)ncn3C)c(O)c1	156287576	MTGTYUVKDVDLMA-UHFFFAOYSA-N	324.340	1.662	50	20	DDGD	
COC(=O)CN(C1CCCC1)S(=O)(=O)CCCCCl	154711473	AISAXJSTHUITAV-UHFFFAOYSA-N	311.831	1.753	50	20	DDGD	
C[C@@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)CCl	830929752	ULNBRWDDEYQCLJ-QMMMGPOBSA-N	300.808	1.263	50	20	DDGD	
C[C@@H](CCNC(=O)OC(C)(C)C)NS(=O)(=O)CCl	831047972	FZWMOGQRFMSRGZ-QMMMGPOBSA-N	300.808	1.405	50	20	DDGD	
NC(=O)NN=C1CCC(N2C(=O)c3ccccc3C2=O)CC1	780186120	DVVDIDDLHXHNQE-UHFFFAOYSA-N	300.318	1.250	50	20	DDGD	
C[C@@H](CNS(=O)(=O)CCCCl)NC(=O)OC(C)(C)C	882141881	UXSIEZRIYJAOPX-VIFPVBQESA-N	314.835	1.448	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc(Cl)cc1	8194264	IHJGSAVLQSDNTG-UHFFFAOYSA-N	315.826	1.828	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1ccc2c(c1)OCO2	8273257	WHHJIMSJWZDSFF-UHFFFAOYSA-N	316.288	1.558	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNC(=O)Cc1ccccc1OC	104862645	JRDIPUPTPUXQBT-CQSZACIVSA-N	319.405	1.260	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cc(F)cc3[nH]cnc23)c1	103437004	FQUHEKAUYYUXFV-UHFFFAOYSA-N	323.287	1.648	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNc1ccccc1[N+](=O)[O-]	104835534	MVZBDBCQTKQKEW-UHFFFAOYSA-N	308.338	1.734	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1ccccc1)Cn1cccn1	54576469	KMSZEXOKZFFNBM-LBPRGKRZSA-N	301.350	1.163	50	20	DDGD	
CC[C@H]1c2ccsc2CCN1CC(=O)NNC(=O)C1CC1	112976912	OCAWBWFCMWPISG-LBPRGKRZSA-N	307.419	1.615	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)[C@@H]2CCOC2)cc1OC	66897270	LSCKAIWQKLYCJD-GFCCVEGCSA-N	322.361	1.282	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)[C@@H]1CC(=O)N(C2CCCC2)C1	118499505	WYYDSTLZDWINPN-SECBINFHSA-N	323.784	1.364	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2csc(COC)n2)cc1	68413135	YYGXHDRBADFWME-UHFFFAOYSA-N	319.386	1.927	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)CNc1ccc(OC)cc1	66898719	ZLERJCXKTVVRET-LBPRGKRZSA-N	321.377	1.236	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccn2C)ccc1[N+](=O)[O-]	61527320	IOUDUTMVZAPLJX-UHFFFAOYSA-N	302.290	1.317	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@@H](c1ccc(OC)cc1)C1CC1	111196798	TUUUAFYOJIDDDD-BDJLRTHQSA-N	319.405	1.682	50	20	DDGD	
Cc1nn(C)c(C)c1CCC(=O)NNc1nccnc1Cl	114893688	KDHJFUZOTLYLRF-UHFFFAOYSA-N	308.773	1.556	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)CCN2CCCC2=O)nn1	118525101	DSEILSJIRRZNHZ-UHFFFAOYSA-N	305.382	1.230	50	20	DDGD	
CCCOCC(=O)NNC(=O)c1ccc(Cl)cc1OC	68519318	ZWWJXXLGBNXVRL-UHFFFAOYSA-N	300.742	1.536	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1cscc1C	175029616	UOXKWXMJJJSKJC-UHFFFAOYSA-N	319.386	1.938	50	20	DDGD	
O=C(Cc1ccccc1OC(F)F)NNC(=O)c1ccc[nH]1	118305512	GAJYEUJUKHSIQL-UHFFFAOYSA-N	309.272	1.620	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(NC(C)=O)ccc1F	67463993	BTRRCKYCRJVRSZ-UHFFFAOYSA-N	310.354	1.079	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNC(=O)c1ccc[nH]1)c1ccccc1	125885890	RWLDMXKXLNJRIF-AWEZNQCLSA-N	315.377	1.262	50	20	DDGD	
Cc1cnccc1NC(=O)NNC(=O)COc1ccc(F)cc1	183445345	AUPAAPBIDPPKJH-UHFFFAOYSA-N	318.308	1.761	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNc2cc(F)c(F)cc2F)C1	127080468	ICHXYVDDTFFFOZ-MRVPVSSYSA-N	315.295	1.806	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)NC1CCCC1	30998757	QZAZUIHCLLUTPT-UHFFFAOYSA-N	301.350	1.309	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1ccc2[nH]ccc2c1	184711865	MSGBZNSIQZZAAD-UHFFFAOYSA-N	309.329	1.958	50	20	DDGD	
CCOc1cnc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cn1	187066983	HATORYDRAKSCKX-UHFFFAOYSA-N	303.278	1.540	50	20	DDGD	
C[C@H](Cc1ccc(Br)cc1)C(=O)NN(C)C(N)=O	182659843	YNWWQJOKDRKODL-MRVPVSSYSA-N	314.183	1.669	50	20	DDGD	
C[C@@H](Oc1ccccc1Br)C(=O)NN(C)C(N)=O	181070915	HLLYEGFSSGSTEY-SSDOTTSWSA-N	316.155	1.258	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)NC2CCCC2)s1	49419575	MDNYIKKNPDGVMA-UHFFFAOYSA-N	303.409	1.492	50	20	DDGD	
C[C@H]1CCCN(CCNC(=O)NNC(=O)OC(C)(C)C)C1	46381463	MEQGOCMFUVSERW-NSHDSACASA-N	300.403	1.457	50	20	DDGD	
COc1cc(CNC(=O)NNC(=O)c2ccc(C)o2)ccn1	84142349	ZKHPKGLKWGFTGJ-UHFFFAOYSA-N	304.306	1.136	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1c[nH]c2ccccc2c1=O	191897065	RBYMSHOIKICEBI-UHFFFAOYSA-N	320.312	1.328	50	20	DDGD	
COc1ccc2cccc(CC(=O)NNC(=O)N(C)C)c2c1	133931960	XEXFRQNRGSUKBV-UHFFFAOYSA-N	301.346	1.693	50	20	DDGD	
O=C(Cc1ccc(-n2cccn2)cc1)NNC(=O)c1ccncc1	192610952	KULGHBOOPUFBKO-UHFFFAOYSA-N	321.340	1.271	50	20	DDGD	
Cc1n[nH]c(C)c1CCC(=O)NNC(=O)NC1CCCCC1	193940090	MXQZMHOCZJBIHA-UHFFFAOYSA-N	307.398	1.622	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1c(F)cc(F)cc1F	193706058	ZWGUCHMNFAVCQJ-UHFFFAOYSA-N	310.297	1.460	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H](C)C(C)(C)CN(C)C)n1	85363471	NHTDBBCURUNOCK-GFCCVEGCSA-N	308.430	1.696	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1csc(Cc2ccccc2)n1	48078765	XZXIKEFTCBXGIY-UHFFFAOYSA-N	301.371	1.905	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(C(F)(F)F)ccn1	192423312	SFIMSSIKZZYQPA-UHFFFAOYSA-N	306.244	1.290	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCC(=O)Nc1ccc(Cl)cc1	193687935	SZVPMOPZKNRALL-CSKARUKUSA-N	307.737	1.839	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cnn(-c2ccccc2)n1	198691193	IVWUNZOLISSCCX-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
CCOC(=O)CCCNC(=O)/C(C#N)=C\c1ccc(O)cc1	194085144	DWEXKJZUTFMACU-RAXLEYEMSA-N	302.330	1.759	50	20	DDGD	
C=CCOC(=O)/C(C#N)=C/c1ccccc1OCC(=O)N(C)C	194335357	ZAERQYJFRMLWBK-GXDHUFHOSA-N	314.341	1.790	50	20	DDGD	
O=C(NN=Cc1ccc(O)cc1O)c1n[nH]c2c1CCCC2	252632461	VTYZTFGUFIAJLA-UHFFFAOYSA-N	300.318	1.464	50	20	DDGD	
COC(=O)CSCCC(=O)NNC(=O)c1ccccc1C	263760127	KAMYICQSFMZBHB-UHFFFAOYSA-N	310.375	1.052	50	20	DDGD	
C[C@H]1CN(CCCNC(=O)NN(C)c2ccccc2)C[C@@H](C)O1	264122624	MRCHHODXKHBQSR-GASCZTMLSA-N	320.437	1.836	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)C(C)(C)c2ccccc2)C[C@@H](C)O1	264645526	CXJZJBGUBABMFA-BETUJISGSA-N	319.405	1.814	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12	264749614	KURUZRJCYUZFKC-UHFFFAOYSA-N	302.290	1.637	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cnn(-c2ccccc2)n1	273370268	FOBHEMBAVZLDGT-JTQLQIEISA-N	302.338	1.466	50	20	DDGD	
CC[C@@]1(C)CN(C(=O)NNC(=O)c2cccc(C)n2)CCO1	279605784	FAMLOWOFQRZMRH-HNNXBMFYSA-N	306.366	1.245	50	20	DDGD	
O=S(=O)(CBr)N[C@@H]1C[C@H]1c1ccc(F)cc1	278604311	CGQHRRTWIBLABN-VHSXEESVSA-N	308.172	1.953	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1csc(-c2cccnc2)n1	272694195	RFNQOJOZGPOFBO-UHFFFAOYSA-N	319.390	1.440	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2cccc(C)n2)C1	279806292	NDZCYDJLOMKTFJ-VXGBXAGGSA-N	319.361	1.130	50	20	DDGD	
Cc1cccnc1NNC(=O)CNC(=O)OCC(F)(F)F	276746845	OZIZDQRZHOWEMT-UHFFFAOYSA-N	306.244	1.122	50	20	DDGD	
COCCc1ccccc1NC(=O)C(=O)NNC(=O)C(C)(C)C	276422487	MQVBIPZJUNTKRF-UHFFFAOYSA-N	321.377	1.008	50	20	DDGD	
CC(C)[C@]1(C)C[C@H]1C(=O)NNC(=O)CNC(=O)c1cccs1	274996678	ZTRZVWBXTSLSRO-BONVTDFDSA-N	323.418	1.308	50	20	DDGD	
CC(=O)CCc1ccc(O[C@@H](C)C(=O)NN(C)C(N)=O)cc1	272189555	NDCKDBKAEZWGGG-NSHDSACASA-N	307.350	1.017	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCCOC1	272604235	FUCKBKYKGOMWKD-CQSZACIVSA-N	307.306	1.173	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](C)NC(=O)C(C)(C)C)c1	272804890	JSSUZKGKDLNOIZ-SNVBAGLBSA-N	321.377	1.467	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)c1ccc(Cl)nc1	279928595	NGMSKSJHXLYIEI-RKDXNWHRSA-N	309.753	1.501	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(F)cc1)n1nnnc1C(C)(C)C	272061864	ARRWJGNYAWDWQO-SECBINFHSA-N	306.345	1.814	50	20	DDGD	
CO[C@H]1CCC[C@H](CC(=O)NNc2nc3ccccn3n2)C1	281891245	PIEBGLDPIAREHK-RYUDHWBXSA-N	303.366	1.768	50	20	DDGD	
CSSCCNC(=O)N[C@H]1CCO[C@@H]1c1nccn1C	284927118	IBFOMGGBMJRYHF-UWVGGRQHSA-N	316.452	1.561	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2CCc3c[nH]nc3C2)n1	372747227	NXZCBJQTSXIXOD-LLVKDONJSA-N	301.354	1.000	50	20	DDGD	
COc1cc(/C=C(\C#N)S(=O)(=O)NC2CC2)ccc1C#N	283008001	MUTOIAGCYRWKIN-AWNIVKPZSA-N	303.343	1.513	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCCC[C@@H]1COC(=O)N(C)C	287944923	XZFVBEBAYAQNHB-RSKUSDAESA-N	309.366	1.510	50	20	DDGD	
CCO[C@H](CNC(=O)NNC(=O)[C@@H]1CCCO1)c1ccccc1	292801816	XPCFILFDGCDLDY-UONOGXRCSA-N	321.377	1.274	50	20	DDGD	
COCC[C@H](NC(=O)NNc1ncncc1F)c1ccco1	292994166	KJKIVNJCDPAYJZ-JTQLQIEISA-N	309.301	1.613	50	20	DDGD	
COC(=O)C(=O)CCCOC(=O)[C@H](Br)C(C)(C)C	803438048	ARJBHOZKHLGXIX-VIFPVBQESA-N	323.183	1.862	50	20	DDGD	
CC[C@@H]1CCC[C@H]1C(=O)NNC(=O)Cc1cn2ccccc2n1	295409322	VCWHKIJXUGIZCQ-TZMCWYRMSA-N	314.389	1.851	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1nc2cccnc2s1	295301711	FCQYHJZVLGOGFU-VIFPVBQESA-N	306.347	1.021	50	20	DDGD	
C[C@@H](CN1CCCCCC1)C(=O)NN=Cc1ccc(N)nc1	807957921	CJROMFMECUCZFK-ZDUSSCGKSA-N	303.410	1.626	50	20	DDGD	
C[C@@H]1CCc2ccccc2[C@H]1NC(=O)NNC(=O)[C@@H]1CCCO1	292664424	QUHQAWHAYSHVBU-UGFHNGPFSA-N	317.389	1.819	50	20	DDGD	
CC1=C(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)CCCO1	802096408	PGDBVIAEOWYLFZ-UHFFFAOYSA-N	319.317	1.652	50	20	DDGD	
COc1cnc(NC(=O)NNC(=O)c2ccc(C#N)cc2)s1	806517674	RWUPCQKOGCSXHL-UHFFFAOYSA-N	317.330	1.490	50	20	DDGD	
O=Cc1c[nH]c(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c1	292582691	DPQDXXNDTYENAM-UHFFFAOYSA-N	315.373	1.805	50	20	DDGD	
COc1ccc2c(c1F)CCC2=NNC(=O)c1c[nH]nc1C	807973687	VNOMHQSMCVPQAJ-UHFFFAOYSA-N	302.309	1.946	50	20	DDGD	
Cc1ccccc1-n1cc(C=NNC(=O)c2cnn(C)c2)nn1	807972533	DMSWPQRBZCGVAI-UHFFFAOYSA-N	309.333	1.073	50	20	DDGD	
C[C@@H]1CC[C@@H](CNC(=O)NNc2ccc(-n3ccnc3)nn2)C1	805416942	CKJIECZMUMITSH-VXGBXAGGSA-N	315.381	1.725	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc2cc(C)ccc2n1	294038680	IOCUSZKNKCGDNF-UHFFFAOYSA-N	316.361	1.524	50	20	DDGD	
CCO[C@H](CC)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802122476	QLOMVZVXVOFZCN-CYBMUJFWSA-N	308.382	1.720	50	20	DDGD	
C[C@@H](C1CC1)N(CC(=O)NNC(=O)c1ccc(F)cc1)C1CC1	298005962	YKXWMDZRQPTPQS-NSHDSACASA-N	319.380	1.850	50	20	DDGD	
CC(C)(C)C(=O)CCCC(=O)NNc1cc(Cl)nc(N)n1	295133601	YMMFYHZOHJMMHB-UHFFFAOYSA-N	313.789	1.941	50	20	DDGD	
COc1ccc(NNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)nc1	801958191	ZARBTVDVAJEUQF-UHFFFAOYSA-N	321.268	1.477	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NN=C2CCC(C(=O)O)CC2)c1	814882467	PRYRKCOPAUTUTA-UHFFFAOYSA-N	318.333	1.401	50	20	DDGD	
O=C(COc1cc(Cl)cc(Cl)c1)NNc1nc[nH]n1	816633067	MBCFUVFRKHNUKJ-UHFFFAOYSA-N	302.121	1.634	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@]12CCc1ccccc12)c1ccnnc1	817693543	NELQEJKKERSFKQ-YOEHRIQHSA-N	308.341	1.142	50	20	DDGD	
COc1ccc(OCC(=O)NN=C(C)c2cc(CO)on2)cc1	812223932	SYFHWDCNXYZUSK-UHFFFAOYSA-N	319.317	1.095	50	20	DDGD	
CCc1nn(C)c(CC)c1C=NNC(=O)N=c1cc[nH]cc1	815003413	SXKINYIRHPRPMH-UHFFFAOYSA-N	300.366	1.517	50	20	DDGD	
C=CCNC(=S)NNC(=O)COc1cc(F)cc(F)c1	810550353	WRHAKZUTVROKSG-UHFFFAOYSA-N	301.318	1.025	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C(C)c2cc(CO)on2)c1	812223453	BKHREXWTEKSZPB-UHFFFAOYSA-N	319.317	1.338	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cc(F)ccc1-n1cccn1	819141346	XPIVGFIGZDIROE-UHFFFAOYSA-N	302.309	1.573	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NN=Cc2ccn(C)n2)cc1	814747231	LUNYILURECBTGS-GFCCVEGCSA-N	316.361	1.736	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)COc1ccc(Cl)cc1	811631854	PTBBQEOIZOKBNM-LBPRGKRZSA-N	323.780	1.880	50	20	DDGD	
COc1cc(C=NNC(=O)CCN2CCCCCC2)sn1	817323098	RRCJWTZZZGKLPH-UHFFFAOYSA-N	310.423	1.868	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCOC1)c1cccc(O[C@@H](C)C(=O)O)c1	814914859	PQWAYFZDUNINHA-WCQYABFASA-N	320.345	1.415	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(Cl)nc2)nn1C(C)C	822561472	GOVATKJCYNVFNJ-UHFFFAOYSA-N	321.768	1.896	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)CC2CC2)cc1-c1ccc(F)cc1	820758408	VFYLWFOJZUYOGT-UHFFFAOYSA-N	316.336	1.787	50	20	DDGD	
CCOC(=O)Nc1ccc(C(=O)NNC(=O)CC2CC2)cc1	496263325	LNLSRACDNUFZGV-UHFFFAOYSA-N	305.334	1.816	50	20	DDGD	
COC(=O)Nc1cccc(C(=O)NNC(=O)c2ccncc2)c1	491121036	GROSANDIPBFYKG-UHFFFAOYSA-N	314.301	1.335	50	20	DDGD	
CO[C@@H]1COCC[C@@H]1CNC(=O)/C(C#N)=C/c1ccc(F)cc1	491101869	GKZFKMAXSJLTNL-DPXMASKKSA-N	318.348	1.900	50	20	DDGD	
CC(C)Cc1ncc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)s1	823475570	QDMJZPDERYAIEG-UWVGGRQHSA-N	311.407	1.528	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1ccnc(Cl)c1	728077256	USBQWKRTYMFCGT-UHFFFAOYSA-N	316.708	1.937	50	20	DDGD	
CCOc1ccc(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	825942657	HPHVVVBUIJYIIB-BXUZGUMPSA-N	321.377	1.341	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H](Oc1ccccc1)C(C)(C)O	822245126	SJPDBMYPZSHYIT-GFCCVEGCSA-N	308.378	1.398	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@](C)(O)C2CCCCC2)cn1	491013061	SUYJMBXMLXILTL-AAKUMTKESA-N	316.405	1.775	50	20	DDGD	
CC[C@H](C)NC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	494077138	CWNUCKBLUVETGY-JTQLQIEISA-N	316.402	1.420	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)[C@H]1CCN(c2ccccc2)C1	825954437	SPCHUGDWYXSSPB-NSHDSACASA-N	323.360	1.323	50	20	DDGD	
COC(=O)N(C)NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1	496220343	XCZNAUCYWJYYSD-UHFFFAOYSA-N	315.370	1.363	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1ccc(C(=O)O)cc1	821125196	AUKRAHHGQWQXBK-UHFFFAOYSA-N	312.325	1.697	50	20	DDGD	
CCOC(=O)NN=C1CCCc2ccc(S(N)(=O)=O)cc21	497192791	WSASLCLOMREWEV-UHFFFAOYSA-N	311.363	1.121	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc(SC)cc1	901966640	QUIQYMQEYMGTDC-UHFFFAOYSA-N	312.416	1.522	50	20	DDGD	
CCCCCn1nc(C)cc1NC(=O)NNC(=O)c1cc[nH]n1	821728318	LQVMYIOERZDMDO-UHFFFAOYSA-N	319.369	1.571	50	20	DDGD	
CSSCCNC(=O)Nc1ccnc(OCCO)c1	825874606	JBTOEBXDRDJMMF-UHFFFAOYSA-N	303.409	1.585	50	20	DDGD	
CN(CCNC(=O)NNC(=O)c1cc2c(s1)CCC2)C1CC1	732891356	FDJREQIALGIXRS-UHFFFAOYSA-N	322.434	1.275	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cnc(-c2ccco2)s1	732083133	VBBAOBIRXBGOID-UHFFFAOYSA-N	317.330	1.509	50	20	DDGD	
COc1ccc(O)c(S(=O)(=O)NNC(=O)OC(C)(C)C)c1	495322873	WUGRWOURDGXYIX-UHFFFAOYSA-N	318.351	1.119	50	20	DDGD	
OB(O)c1ccccc1CN[C@H](c1ccccn1)C1CCCC1	585026615	IPHVCRGSAGQLPC-SFHVURJKSA-N	310.206	1.783	50	20	DDGD	
CC(C)(C)C[C@@H](O)CNC(=O)NNC(=O)c1cccc(C#N)c1	735325857	JHAQOSLPKZBRES-CYBMUJFWSA-N	318.377	1.299	50	20	DDGD	
COc1ccc(C=NNC(=O)C2CCOCC2)c(O)c1OC	901276310	KVBOSZRAQGPSFN-UHFFFAOYSA-N	308.334	1.286	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C=NNC(=O)c2cnn(C)c2)c1C	735411191	PSEFZNXXEIVQHD-UHFFFAOYSA-N	317.349	1.306	50	20	DDGD	
N#Cc1ccc(C(=O)NN[C@@H](C(=O)O)c2ccc(F)cc2)cc1	739101733	LCJZBORJPAAIDP-CQSZACIVSA-N	313.288	1.758	50	20	DDGD	
CC(=O)N1CCC[C@H](CNC(=O)[C@]2(C)C[C@@H]2Br)C1	907891885	HJHVGAYLMIFWGA-NTZNESFSSA-N	317.227	1.535	50	20	DDGD	
CC(C)[C@@H](C)N(C)CC(=O)NNC(=O)c1ccc(C#N)cc1	839460496	LVXGCGVMLCIADF-GFCCVEGCSA-N	302.378	1.296	50	20	DDGD	
CC1=NO[C@H](C(=O)NNC(=O)NCc2ccc(Cl)cc2)C1	832802597	SCADMDWHWTUUCI-NSHDSACASA-N	310.741	1.335	50	20	DDGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cn(C)c(=O)n(C)c2=O)cc1	588467775	YLRHSJNPTUYNOZ-JYRVWZFOSA-N	309.325	1.182	50	20	DDGD	
CC(C)c1ccccc1NC(=S)NNC(=O)CNC(=O)O	736523524	ULKSPVPDTIHCQC-UHFFFAOYSA-N	310.379	1.395	50	20	DDGD	
COc1ccc2nc(NNC(=O)[C@H]3CCNC3=O)c(C)cc2c1	831807933	ZFGGRNYHPNCGCM-LBPRGKRZSA-N	314.345	1.131	50	20	DDGD	
COc1ccc(C(=O)NN=C2CCN(OC)CC2)cc1OC	834919544	IVUBNHIYJVJDIR-UHFFFAOYSA-N	307.350	1.447	50	20	DDGD	
CC[C@H]1CCC[C@@H]1CNC(=O)NNC(=O)Cc1ccncc1	836558765	OMCMRMJFHNROMD-UONOGXRCSA-N	304.394	1.781	50	20	DDGD	
O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCC(Cl)Cl	837652062	WUKCVPNQIPDDSI-UHFFFAOYSA-N	317.132	1.864	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)c1	907817420	MUFDMQVYLDECQQ-KWCYVHTRSA-N	316.361	1.448	50	20	DDGD	
COC[C@](C)(CC(=O)O)NC(=O)[C@@H](Br)C(C)(C)C	909376933	WIDKSOWFAXGKPB-SKDRFNHKSA-N	324.215	1.792	50	20	DDGD	
CCOCC(=O)NN=Cc1ccc(OC(F)(F)C(=O)O)cc1	731153771	CYEQSCVUJUJPKA-UHFFFAOYSA-N	316.260	1.229	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(N2CCOCC2)c(F)c1	730206044	GNEPSTRYVOCZPS-UHFFFAOYSA-N	311.313	1.053	50	20	DDGD	
CC(=O)NNC(=O)c1cccc(COc2ccc(C#N)cc2)c1	734543142	NTDOOKBBQLIMIP-UHFFFAOYSA-N	309.325	1.918	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@H](C)C[C@@H](C)N)cc1	831223733	HXONYPDRPUUWIV-NXEZZACHSA-N	309.370	1.157	50	20	DDGD	
CC(C)n1ccc(CNC(=O)NNC(=O)c2ccccc2O)n1	739051379	GCDDPDFBNZZPKU-UHFFFAOYSA-N	317.349	1.314	50	20	DDGD	
CS[C@@H]1CCC[C@@H](NC(=O)NNC(=O)CC(F)(F)F)C1	735385170	WNINKZGVMLGMDH-HTQZYQBOSA-N	313.345	1.943	50	20	DDGD	
Cn1cc(C(=O)NN=c2c(=O)c3cccc4cccc2c43)cn1	735412999	GDGCBZIGGKSXPB-UHFFFAOYSA-N	304.309	1.208	50	20	DDGD	
COC[C@H](OC)C(=O)NNc1ccc(Br)cc1F	830781512	CBKAUQSABYCMRD-JTQLQIEISA-N	321.146	1.693	50	20	DDGD	
C[C@H](CNCc1ccc(B(O)O)cc1F)Oc1ccc(F)cc1	585026632	IVHKAKNUGKNDAI-LLVKDONJSA-N	321.132	1.202	50	20	DDGD	
CC(C)OC1CCN(C(=O)NNC(=O)c2ccccc2)CC1	730579301	GYEIUZXDKIBXLM-UHFFFAOYSA-N	305.378	1.930	50	20	DDGD	
CN(NC(=O)c1ccnc(-c2ncc[nH]2)c1)C(=O)OC(C)(C)C	838375239	ARJTZSGYVFIODW-UHFFFAOYSA-N	317.349	1.983	50	20	DDGD	
CCC[C@H](C(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccn1	833237031	XLBYIJWJRZJLIU-JSGCOSHPSA-N	305.378	1.682	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCCC2)nc1)[C@@H]1CCCCO1	834985513	IXDNPPLGPAKDCE-AWEZNQCLSA-N	302.378	1.701	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@H]1CCc2ccccc2O1	839557052	TVRWRHYPIMERSB-SNVBAGLBSA-N	302.252	1.480	50	20	DDGD	
Cc1cc(C(=O)NN(C)C[C@H](C)O)c(Br)s1	910167636	WMPGQMWUXLCSEK-LURJTMIESA-N	307.213	1.776	50	20	DDGD	
CCCNC(=O)NNC(=O)C(CC)(CC)C(=O)OC(C)(C)C	845302095	MSGLDWCPCSELDS-UHFFFAOYSA-N	315.414	1.875	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1ccc(O)c(Cl)c1)[C@@H]1CCOC1	841624483	FJPZKAGASOULJO-MFKMUULPSA-N	312.753	1.813	50	20	DDGD	
CC(C)Nc1ncccc1C(=O)NNC(=O)CC(F)(F)F	743317995	UJUXUGSEWHLOBH-UHFFFAOYSA-N	304.272	1.615	50	20	DDGD	
O=C(CSc1nnc(C2CC2)n1C1CC1)NNC(=O)C1CC1	742448951	BJKHTTRKLJBSEC-UHFFFAOYSA-N	321.406	1.140	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H](C)[C@](C)(OC)C2CC2)n1	841589260	GBYIUTIPPFCKGR-BMIGLBTASA-N	308.382	1.920	50	20	DDGD	
O=C(NCCNC(=O)C1CC1)NNc1ccc(Cl)cc1F	913898994	YTEPXCXPFZLBOW-UHFFFAOYSA-N	314.748	1.631	50	20	DDGD	
NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ccccc1Br	847599551	IEVBWGBCWQVTGH-SFYZADRCSA-N	312.167	1.404	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cccc(N(C)C)c1)[C@H]1CCOC1	743654483	HKLREACXVZKUIS-AAEUAGOBSA-N	320.393	1.122	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CN2[C@@H](C)CC[C@@H]2C)cc1	742241532	LQNYIMPDCIMCMJ-STQMWFEESA-N	303.406	1.883	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1ccc(S(C)(=O)=O)s1	842549565	ODYPFBNLMAZRDB-WCBMZHEXSA-N	316.404	1.027	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cn(C)nc1-c1cccnc1	842560279	ZCGNEIJSWAKJHT-FZMZJTMJSA-N	313.361	1.357	50	20	DDGD	
COC(=O)[C@@H]1CN(C(=O)[C@]2(C)C[C@@H]2Br)C[C@H]1C	911420687	VUYUWFLNAIBYBC-KZFFXBSXSA-N	304.184	1.427	50	20	DDGD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NNC(=O)C(C)C	840489643	SPKKSOIGFIMKSN-CYBMUJFWSA-N	320.437	1.978	50	20	DDGD	
Cn1cccc1C=NNC(=O)c1nn(C)c(=O)c2ccccc12	916316239	OQXUDHXTWHIXPM-UHFFFAOYSA-N	309.329	1.036	50	20	DDGD	
COCCOc1ccccc1C(=O)NNC(=O)CC(F)(F)F	919750889	DXLCFTOIUNOIJU-UHFFFAOYSA-N	320.267	1.425	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)COc1ccccc1O)c1ccco1	741688480	HSKDMDUFUOMSPP-SNVBAGLBSA-N	304.302	1.315	50	20	DDGD	
CCc1ncc(NC(=O)NNc2cc(Cl)nc(C)n2)cn1	841672930	UPAFHBKCPHWBHW-UHFFFAOYSA-N	307.745	1.939	50	20	DDGD	
CC(C)C[C@H](CN)NC(=O)NNC(=O)c1ccc(Cl)cc1	841953462	IPBXLZFWSLLFEU-GFCCVEGCSA-N	312.801	1.657	50	20	DDGD	
COCC1(CC(=O)NNC(=O)CCOc2ccccc2)CC1	843777638	ARLNCLRUNCRXDP-UHFFFAOYSA-N	306.362	1.420	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)CCc2ccccc2)CCN1C	745858302	OJPKYMZZGMLYMS-DZGCQCFKSA-N	318.421	1.432	50	20	DDGD	
COc1cccc(NCC(=O)NN=C[C@@]2(OC)CCOC2)c1	841615094	VOZORXZIPUCJTL-HNNXBMFYSA-N	307.350	1.015	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2ncccc2C(F)(F)F)c[nH]1	740098023	ROGIGKJICNWHOB-UHFFFAOYSA-N	313.239	1.284	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(C(F)(F)F)nc1	843646259	VSWSTGIQYUXEJW-APPZFPTMSA-N	317.267	1.286	50	20	DDGD	
C/C(Cl)=C/C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	912508929	XTJHITYZGZRHIY-HJWRWDBZSA-N	303.790	1.219	50	20	DDGD	
COC(=O)C12CC(C(=O)NNC(=O)c3ccccc3C)(C1)C2	843754608	NKUCTCJKQSBMLV-UHFFFAOYSA-N	302.330	1.099	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1c(F)cc(Cl)cc1F	841177090	YNUNGIFNCLLBRI-UHFFFAOYSA-N	306.700	1.510	50	20	DDGD	
O=C(NN=Cc1ccccc1N1CCOCC1)c1ncccn1	841663806	ZZZHVDVXHNCFIF-UHFFFAOYSA-N	311.345	1.077	50	20	DDGD	
O=C(NN=Cc1ccc(C2CC2)cc1)N[C@@H]1CCS(=O)(=O)C1	841620863	LMNRAITWMKZAPL-CQSZACIVSA-N	321.402	1.384	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NC[C@]2(C)CCOC2)cc1	844974591	ZDTIWLYDWXSPFJ-INIZCTEOSA-N	321.377	1.455	50	20	DDGD	
C[C@@H](COCC(=O)NNc1ncc(F)cn1)c1ccccc1	845895091	MRLGZSHKYALNQI-NSHDSACASA-N	304.325	1.879	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@H]1CCn2cncc2C1	846641867	SKPITAFPJNMTCK-JTQLQIEISA-N	304.325	1.737	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc2ccccc2nc1O	843972106	FTXDKFTYEWVGOO-MWLCHTKSSA-N	315.329	1.126	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCCNc1ncccn1	751491949	UAVFVXXLGKEHQL-JLHYYAGUSA-N	311.320	1.751	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCN1C1CC1	855626482	GRCRREXAJRROMF-ZDUSSCGKSA-N	308.313	1.804	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)C1SCCCS1	855092379	CBGMLSXZLYGRLU-UHFFFAOYSA-N	305.494	1.478	50	20	DDGD	
C[C@H]1CN(C2CC2)CC1=NNC(=O)c1ccnc(N(C)C)c1	755892638	AATZPOFAHSIXSW-NSHDSACASA-N	301.394	1.348	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(OCC(=O)OC)cc1	755809965	QLVZHYGWLXOEOA-SNVBAGLBSA-N	323.349	1.437	50	20	DDGD	
COCCOC[C@H](C)NC(=O)NC[C@]1(C)C[C@H]1Br	856840351	PWGAXQGBKHMUBB-UMNHJUIQSA-N	323.231	1.511	50	20	DDGD	
CCS(=O)(=O)C[C@H](C)NC(=O)NNc1ccc(C)c(F)c1	853733911	LPIJERNJAIKWKE-JTQLQIEISA-N	317.386	1.583	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@@H](O)c1cc(F)c(F)c(F)c1	856402677	DJSNXTCVOAIXPY-ZVTBTPLYSA-N	314.263	1.697	50	20	DDGD	
CC(C)(C)OC(=O)NC1CC(=NNC(=O)c2cccc(F)n2)C1	853443227	GRSCMBQQOUBQLV-UHFFFAOYSA-N	322.340	1.994	50	20	DDGD	
CCCNC(=O)NNC(=O)c1nc(SC)ncc1Cl	921039524	QQFTXFUHDCUOAB-UHFFFAOYSA-N	303.775	1.206	50	20	DDGD	
CNC(=O)CCCN(C)C(=O)NC[C@]1(C)C[C@H]1Br	856902967	LZFQUOVVDUXNRN-SKDRFNHKSA-N	320.231	1.328	50	20	DDGD	
CSc1nsc(NC(=O)NNC(=O)C2CCCC2)n1	757586835	HFVWPZIIQKNYCS-UHFFFAOYSA-N	301.397	1.603	50	20	DDGD	
Cc1nn(C)cc1[C@@H]1CCCN1C(=O)NNC(=O)C(C)(C)C	759315180	POHARSFHYPWSOE-LBPRGKRZSA-N	307.398	1.652	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1ccc(C#N)c(Cl)c1)C(C)C	753313155	KDIXDITYTZRRHB-CYBMUJFWSA-N	308.769	1.815	50	20	DDGD	
CNC(=S)N(C)NC(=O)COc1cc(Cl)cc(Cl)c1	854924380	IQEPDWBHVQCPRA-UHFFFAOYSA-N	322.217	1.840	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)Cc2ccc(Cl)cc2)O1	756903347	DHMCTAQEIWUJQH-OLZOCXBDSA-N	310.781	1.988	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@H]32)cn1	926768383	YERZITJQMABNIC-UCFOSJGASA-N	304.353	1.782	50	20	DDGD	
Cc1ccc(NCCNC(=O)NN=c2cc[nH]c(C)c2)nc1	927471022	HLBJDEHHOYZGBV-UHFFFAOYSA-N	300.366	1.254	50	20	DDGD	
Cc1ccc(F)c(CC(=O)NNC(=S)N[C@@H](C)C2CC2)c1	855096768	YPKKJOZRVLPYGZ-JTQLQIEISA-N	309.410	1.970	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@H]2CCN(C3CC3)C2)c1	858275698	VDQYIUSEODKASA-LLVKDONJSA-N	322.434	1.485	50	20	DDGD	
C[C@@]1(CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3)C[C@H]1Br	857105175	GDKWWIVOKBGIRO-XZUYRWCXSA-N	316.243	1.696	50	20	DDGD	
O=C(C[C@@H]1CC(=O)Nc2ccccc21)NNC(=O)C1CCC1	932516852	MQBLZOXQYPTNLS-NSHDSACASA-N	301.346	1.450	50	20	DDGD	
C[C@]1(CNC(=O)c2cnn3c2OCCC3)C[C@@H]1Br	857389129	YRYNUPKPZJEXFK-JOYOIKCWSA-N	314.183	1.569	50	20	DDGD	
Cc1c[nH]ccc1=NC(=O)NNC(=O)Cc1ccc(Cl)cc1	757808668	ZLXJJZYNVIRYHK-UHFFFAOYSA-N	318.764	1.861	50	20	DDGD	
CCOC(=O)Nc1ccc(NC(=O)NNC(=O)COC)cc1	755831204	YLOXLYUGBAYNQH-UHFFFAOYSA-N	310.310	1.054	50	20	DDGD	
C[C@@](NC(=O)NNC(=O)c1ncccn1)(C1CC1)C(F)(F)F	933568397	HEXRZKVDDOCQJO-LLVKDONJSA-N	317.271	1.152	50	20	DDGD	
CC1=NO[C@@H](C(=O)NNC(=S)Nc2cccc(C)c2C)C1	854186421	LASPUMHEAODBRK-GFCCVEGCSA-N	306.391	1.786	50	20	DDGD	
CC1CC(C#N)(C(=O)NNC(=O)c2ccc3ccccc3n2)C1	758143267	SGDDICGBXPSRRP-UHFFFAOYSA-N	308.341	1.936	50	20	DDGD	
CCSc1ccc(Cl)cc1NC(=O)NNC(=O)CO	756419341	FAAVSMAWEIIZCS-UHFFFAOYSA-N	303.771	1.597	50	20	DDGD	
Cc1csc(C(=O)NNS(=O)(=O)CCOC(C)C)c1	863414534	ZEYBSTPLYRKUSB-UHFFFAOYSA-N	306.409	1.046	50	20	DDGD	
CC(C)NC(=O)N1CCC[C@H]1C(=O)NN[C@@H](C)C(F)(F)F	862314943	NADSDIOICLLQNJ-IUCAKERBSA-N	310.320	1.140	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNC(=O)CCc1ccccc1O	863867002	QUEYIGUYFBEDPY-CQSZACIVSA-N	308.378	1.677	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)Nc3ccc(C#N)cc3)nc21	769934846	YBQFVWZHAQMTPF-UHFFFAOYSA-N	324.304	1.089	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnn2cccc(OC)c12	930718534	PFEMALSTFMDVQV-UHFFFAOYSA-N	305.338	1.087	50	20	DDGD	
COc1ccccc1OC[C@H](C)CNC(=O)NNC(=O)C(C)C	763542834	IFNCSBVYAPQRQI-GFCCVEGCSA-N	323.393	1.697	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)c2cn[nH]c2)cc1	862473646	CYZZGBKTOWWPCQ-UHFFFAOYSA-N	302.334	1.663	50	20	DDGD	
CC(C)N(C)c1ccc(NCc2cccc(B(O)O)c2)cc1F	864020378	WEORWWCDHAGKBX-UHFFFAOYSA-N	316.185	1.962	50	20	DDGD	
CN(CC(=O)NNCC(F)(F)C(F)(F)F)[C@@H]1CCSC1	863097364	IQMBCNAIVWPQPA-SSDOTTSWSA-N	321.315	1.242	50	20	DDGD	
CC(=O)N/C(=C/c1ccccc1)C(=O)NNc1ncc(F)cn1	762088519	ZCAUDORWSBVTSY-NTUHNPAUSA-N	315.308	1.236	50	20	DDGD	
Cc1cc(-n2cncn2)ccc1C(=O)NN[C@@H](C)C(F)(F)F	862311760	STFSHFTXAYTKHY-VIFPVBQESA-N	313.283	1.761	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)COc2ccccc2[N+](=O)[O-])CN1C	761805129	MZXVMKBDSBOHHB-SNVBAGLBSA-N	306.322	1.170	50	20	DDGD	
O=C(NCCC[C@H]1CC1(Cl)Cl)c1cccc(B(O)O)c1	863886943	RQYIUXBVJJGATN-JTQLQIEISA-N	315.993	1.070	50	20	DDGD	
COC(=O)c1cc(S(=O)(=O)NCC(Cl)Cl)cs1	867470505	PAWFTWJFDIMMHW-UHFFFAOYSA-N	318.203	1.617	50	20	DDGD	
C=CCCn1cc(C(=O)NNCC(F)(F)C(F)(F)F)nn1	863101788	HSNQIBLRWSPDED-UHFFFAOYSA-N	313.230	1.286	50	20	DDGD	
Cc1cc(C(=O)NN=C2C(=O)Nc3c(F)ccc(C)c32)n[nH]1	764795500	SWBVHFRMWAYXIU-UHFFFAOYSA-N	301.281	1.252	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1csc(C(F)(F)F)c1	863076588	SVLUPDILNBXPRA-UHFFFAOYSA-N	307.297	1.742	50	20	DDGD	
CCn1cc(C(=O)NNc2ccc(C(=O)OC)c(F)c2)c(C)n1	861926696	ZQTANVHVALJTLK-UHFFFAOYSA-N	320.324	1.894	50	20	DDGD	
C[C@H](NNC(=O)CCNC(=O)c1cccs1)C(F)(F)F	862304505	BXOISSSTASBLKE-ZETCQYMHSA-N	309.313	1.440	50	20	DDGD	
CCN(CCO)CCNC(=O)[C@H](Br)C(C)(C)C	769642426	ULGOFGLBPHVUHZ-JTQLQIEISA-N	309.248	1.226	50	20	DDGD	
O=C(N=c1cc[nH]cc1F)NNCC(F)(F)C(F)(F)F	860851406	AMDCNRWNMJAMLX-UHFFFAOYSA-N	302.178	1.466	50	20	DDGD	
CS(=O)(=O)c1ccc(NC(=O)NCC(Cl)Cl)cn1	866110387	VJJFGWZXRODMCT-UHFFFAOYSA-N	312.178	1.410	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)COCc2ccccc2)CCC1=O	764317192	DEIOLQJXMUKMLZ-TZMCWYRMSA-N	318.373	1.356	50	20	DDGD	
CN(Cc1ccccc1)C(=O)N1CCN(C(=O)CCl)CC1	1116437879	SDRQKFRSZWLLAE-UHFFFAOYSA-N	309.797	1.621	50	20	DDGD	
CCc1ocnc1C(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	768335773	OIHZDYUCGHKNLJ-UHFFFAOYSA-N	306.278	1.911	50	20	DDGD	
O=C(NC[C@H]1CCCNC1=O)NNc1cccc(F)c1Cl	875664930	WZTQVEHVRYFRTR-MRVPVSSYSA-N	314.748	1.631	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1C[C@@H](OC(C)C)C1(C)C	764908864	PHPDUFSOSIQVGH-DGCLKSJQSA-N	300.399	1.734	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)C1=CCOCC1	769675256	SLCRQXGFBRVKQF-UHFFFAOYSA-N	304.390	1.697	50	20	DDGD	
O=C(Cc1n[nH]c2c1CCCC2)NNC(=O)NC1CCCC1	777242338	SUKBSJIUJHYOJB-UHFFFAOYSA-N	305.382	1.104	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H]2COCC[C@H]2O)cc1	871189408	CVKFPHFSDMBWGZ-WTEYMAAXSA-N	316.357	1.258	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc2ccn(CCOC)c2c1	879088127	NQZCHXOHGIXBJR-UHFFFAOYSA-N	320.393	1.902	50	20	DDGD	
CCN1C(=O)C[C@@H](C(=O)NNC(C)=O)[C@H]1c1cccc(C)c1	877960827	DEGLSNSSQOKNBV-UKRRQHHQSA-N	303.362	1.072	50	20	DDGD	
C[C@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)C1CCCC1	770971159	IFTISSCSKVGLEC-QMMMGPOBSA-N	304.354	1.338	50	20	DDGD	
COc1ccc2c(c1)CC[C@@H](C(=O)NNC(=O)C1CCC1)C2	878807571	PZNKRIABBFJEJL-CQSZACIVSA-N	302.374	1.748	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1csc(C=O)c1	770240200	NSMKKSMUACINIJ-UHFFFAOYSA-N	303.434	1.033	50	20	DDGD	
CC[C@@H]1C[C@@H](C(=O)NNC(=S)NCCSC)CCO1	779947196	JMEJQWHVVHUFFU-VHSXEESVSA-N	305.469	1.050	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)Oc1cccc(C)c1	771934231	OZBOEXCLXBLBSR-NWDGAFQWSA-N	322.361	1.251	50	20	DDGD	
COc1cccc(C(=O)CNS(=O)(=O)CBr)c1	872517231	UOUMQVRUBVNXNT-UHFFFAOYSA-N	322.180	1.150	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCCOCCc1ccccc1	875126697	UIBMAWIYHINREY-UHFFFAOYSA-N	309.366	1.548	50	20	DDGD	
CCC(COC)=NNC(=O)C(=O)NCc1ccc(Cl)cc1	771567102	DYKMXGLYTFYQDR-UHFFFAOYSA-N	311.769	1.485	50	20	DDGD	
CC(C)C[C@@H](NCC(=O)NNC(=O)C1CC1)c1ccccc1	774813308	AZUTXQZWILOKHE-OAHLLOKOSA-N	303.406	1.921	50	20	DDGD	
COC(=O)c1ccc(OS(=O)(=O)CCCCl)c(OC)c1	881740733	QEMGKYCVPUPGJY-UHFFFAOYSA-N	322.766	1.819	50	20	DDGD	
O=C(NCC1CC1)[C@@H]1CCCN(S(=O)(=O)CCCCl)C1	881793984	LBFGPTZKJKMPQH-GFCCVEGCSA-N	322.858	1.183	50	20	DDGD	
COC1(C(=O)NNC(=O)c2ccc(C)c(O)c2)CCCCC1	882049955	KCVHMYJDIMNFOF-UHFFFAOYSA-N	306.362	1.811	50	20	DDGD	
O=C(CN1CCC(CO)CC1)NNc1c(F)cccc1Cl	1120721815	QMZLJAGUGJOXOP-UHFFFAOYSA-N	315.776	1.627	50	20	DDGD	
C[C@@H](Cc1ccc(F)cc1)C(=O)NNC(=O)C1CCOCC1	883061848	JMVIRJNOXCEGKC-NSHDSACASA-N	308.353	1.578	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ccc2cncn2c1	786526152	KDBMBOJLORPBBF-UHFFFAOYSA-N	310.313	1.878	50	20	DDGD	
COC(C)(C)CC(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	787127040	HQJWFGHGSXEHAS-UHFFFAOYSA-N	322.361	1.114	50	20	DDGD	
Cc1ccc(CO[C@H](C)C(=O)NNC(=O)c2cccnn2)cc1	882056540	YGDGMJWVFFTECY-GFCCVEGCSA-N	314.345	1.151	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc2c(O)ncnc2c1)C(F)(F)F	880167258	PEZPZBKTLGJZRI-ZCFIWIBFSA-N	300.240	1.521	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)O[C@@H]1CCN(C2CCOCC2)C1=O	786675404	IPIAHAUGTBTGPG-BRADTZPFSA-N	304.346	1.169	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)c(Cl)c1C	783042793	GYSXPGITFVYVFA-UHFFFAOYSA-N	323.780	1.340	50	20	DDGD	
O=S(=O)(CCCCl)NCCOCC(F)(F)C(F)F	882131583	IMPYSFJEFSDYHY-UHFFFAOYSA-N	315.716	1.452	50	20	DDGD	
COC1(CNC(=O)NNC(=O)c2cccc(C#N)c2)CCC1	780005325	GOANZNGWPRBNDV-UHFFFAOYSA-N	302.334	1.071	50	20	DDGD	
COCCC1(CNS(=O)(=O)CBr)CCCC1	782470618	FODCBSPHMNFMIO-UHFFFAOYSA-N	314.245	1.855	50	20	DDGD	
CC(=O)N1CC(C(=O)NNC(=S)Nc2cccc(C)c2C)C1	788582952	LHJHKJHSWYMMNM-UHFFFAOYSA-N	320.418	1.099	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1cc(C)nn1C	788955043	OZYWEPIYQZLETE-HNNXBMFYSA-N	314.345	1.409	50	20	DDGD	
CN(C)C1(CNC(=O)NNc2ncncc2Cl)CCCC1	780999873	GCHLZYNIAJMUCB-UHFFFAOYSA-N	312.805	1.631	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(Br)cn1CC	780708346	CTYSWCBSWNWIET-UHFFFAOYSA-N	317.187	1.577	50	20	DDGD	
CC(=NNC(=O)c1nnc(-c2ccccc2)o1)c1nccnc1C	783512901	IHEQXUKTTZSYAS-UHFFFAOYSA-N	322.328	1.989	50	20	DDGD	
O=C1COc2ccc(C=NNC(=O)NC3CCCC3)cc2N1	788712475	HNDDHMIQPLHRDU-UHFFFAOYSA-N	302.334	1.593	50	20	DDGD	
COc1ccc(NNC(=O)c2cn(C)nc2-c2cccnc2)nc1	781521717	WYPJVQOJOTXXPH-UHFFFAOYSA-N	324.344	1.643	50	20	DDGD	
CCSCc1ccccc1C(=O)NNc1nnc(C)c(O)n1	790493817	BPISXILGRSNCPI-UHFFFAOYSA-N	319.390	1.896	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ccn(CC(F)F)n1	790010259	NZDPGPTUFOZFBR-UHFFFAOYSA-N	324.287	1.692	50	20	DDGD	
COCCN1CCC(NC(=O)NCCSSC)CC1	790772476	ZAAFUQFVMFMEIF-UHFFFAOYSA-N	307.485	1.408	50	20	DDGD	
COc1cncc(C(=O)NNc2cccc([N+](=O)[O-])c2C)n1	790803739	LTWUJTDBECIUFU-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
CN(NC(=O)c1ccnc(Oc2ccc(F)cc2F)c1)C(N)=O	790007082	FFGYHEIZDAJCFN-UHFFFAOYSA-N	322.271	1.807	50	20	DDGD	
NC(=O)C(=O)NN=Cc1cc(Br)c(Cl)s1	790143057	UJMZYJVGIXBSEJ-UHFFFAOYSA-N	310.560	1.099	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=Cc1cc(COC)on1	794865538	QQJGPPOHIHGWAK-UHFFFAOYSA-N	317.345	1.913	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1cc(OC)c(OC)cc1Cl	790342945	YOWVGURKDANUKG-UHFFFAOYSA-N	322.770	1.077	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)n1	792039114	FTWVEORMJRIVOD-HNNXBMFYSA-N	320.356	1.791	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCc2cc(Cl)ccc2C1	792307477	NMSBMMGXNRWICQ-JTQLQIEISA-N	309.797	1.644	50	20	DDGD	
Cc1ccnc2ccc(C(=O)NNC(=O)c3cccn3C)cc12	794826576	MZCRFCAAUBDESL-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)c1cn2c(n1)CCCC2	799836677	XMCXZIJHDHNDMD-UHFFFAOYSA-N	308.345	1.920	50	20	DDGD	
COCCCNC(=O)NN=C1CCC(c2nc(C)no2)CC1	797401287	BDHAVJSLWULCOU-UHFFFAOYSA-N	309.370	1.727	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)NCc2ccco2)cc1C=O	793206794	JQKMPIUFEXCFSA-UHFFFAOYSA-N	315.329	1.853	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)c2cccc(C)n2)cn1	792932850	VKPPOFAMDSRUNJ-UHFFFAOYSA-N	313.361	1.280	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2c[nH]nc2-c2cccnc2)n1	794565714	CQDUFUPTALQDEP-UHFFFAOYSA-N	306.329	1.939	50	20	DDGD	
O=C(CCn1cccc1)NNC(=O)c1cncn1-c1ccccc1	1323391091	OATPDOIRQHYECG-UHFFFAOYSA-N	323.356	1.525	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12	1325314006	UWCUGZLDMIHZTC-NIFZNCRKSA-N	320.437	1.141	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H]1CCO[C@H](c2ccccc2)O1	1327068250	KNSQWAYSDXRBKI-JSGCOSHPSA-N	323.418	1.394	50	20	DDGD	
CC(=NNC(=O)CCO)c1nnn(-c2cccc(Cl)c2)c1C	1324925349	WGONMPFHLBUPAA-UHFFFAOYSA-N	321.768	1.452	50	20	DDGD	
Cn1ncc(C(=O)NNc2nncc(N)c2Cl)c1C(F)F	1333588228	PANLIYOHTFITSS-UHFFFAOYSA-N	317.687	1.140	50	20	DDGD	
CO[C@H]1CCC[C@H]1CNC(=O)NNc1nncc(N)c1Cl	1337215476	ZUDOUYQWVLZDPV-CBAPKCEASA-N	314.777	1.153	50	20	DDGD	
CCc1cc(C(=O)NNCC(F)(F)C(F)(F)F)nn1C	1335346887	FNJNRTUDKZUJIF-UHFFFAOYSA-N	300.231	1.415	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccc[nH]2)c([N+](=O)[O-])c1	1263629841	QNHGVXAPNZYDKF-UHFFFAOYSA-N	319.277	1.398	50	20	DDGD	
COC(=O)N1CCCN(C(=O)[C@]2(C)C[C@H]2Br)CC1	1339357955	NUDYBLFIUDLUHP-BXKDBHETSA-N	319.199	1.461	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H](NC(=O)NNc2ccc(Cl)cn2)C1	1340632014	QLCMJFSPSPUYHO-SCZZXKLOSA-N	312.757	1.703	50	20	DDGD	
CC(C)CN1CCC[C@H]1C(=O)NNC(=O)c1cccc(C#N)c1	1262608004	UNQDNKQWBGSMFE-HNNXBMFYSA-N	314.389	1.440	50	20	DDGD	
O=C(NNc1ncncc1F)Nc1ccc(-n2cncn2)cc1	1357714089	AGBDZBLZWVQBHB-UHFFFAOYSA-N	314.284	1.345	50	20	DDGD	
COCCn1cc(C(=O)OC[C@]2(C)C[C@H]2Br)cn1	1526043667	BXUFYHPDYYKMBD-PWSUYJOCSA-N	317.183	1.860	50	20	DDGD	
O=C(O)c1cc(OC(=O)[C@H]2C[C@H]3C=C[C@H]2O3)ccc1[N+](=O)[O-]	1602287864	IKXCWIOSOLISAG-INNHCVQGSA-N	305.242	1.542	50	20	DDGD	
C=CCCC[C@@H](C)NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1602834282	ODFRLZBIZHRNBP-SNVBAGLBSA-N	316.369	1.633	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CC[C@@H]3CCCCN32)cc1F	1602385084	QSTMBNLFBSISPC-FZMZJTMJSA-N	321.352	1.984	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@H]1CCc2nccn2C1	1602231189	TYWVOCLWBJJHQA-VIFPVBQESA-N	318.308	1.426	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2cc(C)c(C(=O)O)[nH]2)cc1	1600458931	CQCDGZFNWATUJE-UHFFFAOYSA-N	314.345	1.892	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1sccc1C(=O)O	1608482766	KYUHWQNWGDLGMX-UHFFFAOYSA-N	305.315	1.528	50	20	DDGD	
COCC1(CCNC(=O)NNc2cccc(C(=O)O)c2)CC1	1606839481	SPJRAHHBEPNXLP-UHFFFAOYSA-N	307.350	1.828	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1C(=O)NNc1ccc(F)c(C(=O)O)c1	1602772073	IZYCRRWBUAHSNJ-ZWNOBZJWSA-N	308.309	1.948	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)NCc2ccc(O)cc2)cc1	1608780700	DCBGOFWCEBRHEB-UHFFFAOYSA-N	315.329	1.846	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2ccc(-c3nn[nH]n3)o2)cc1F	1605819838	CHFJYSBYRKXMOK-UHFFFAOYSA-N	314.280	1.671	50	20	DDGD	
Cc1ccc(C(=O)O)cc1NC(=O)NNC(=O)[C@@]1(C)CCCO1	1600359499	LYYKNBWOIXSAFQ-OAHLLOKOSA-N	321.333	1.415	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ncccc1C(=O)O)N1CCCCC1	1602960643	GSBRTFFXVZGHAL-ZDUSSCGKSA-N	320.393	1.733	50	20	DDGD	
O=C(O)C(=O)NN=C1CCc2c1ccc(F)c2Br	1601638024	OCCXBMQYMBBFJJ-UHFFFAOYSA-N	315.098	1.439	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@@H]2CC[C@@H]3CCCCN32)ccc1F	1602286741	OCUQRODPNGPHFC-FZMZJTMJSA-N	321.352	1.984	50	20	DDGD	
COCCN(CC(C)C)NC(=O)c1cc(-c2nn[nH]n2)cs1	1605095772	BHFLQEUGONFZJC-UHFFFAOYSA-N	324.410	1.177	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NNc1ccccc1C(=O)O	1600994486	VBBOGSMFUKJYER-GHMZBOCLSA-N	300.318	1.365	50	20	DDGD	
CO[C@H](C)C(=O)NNc1cc(C(=O)O)ccc1Br	1606659210	JVPGUYIULQRPTL-ZCFIWIBFSA-N	317.139	1.625	50	20	DDGD	
CCc1[nH]c(C(=O)NNC(=S)NC(C)C)c(C)c1C(=O)O	1610053414	AFBDQJDAGOXSSI-UHFFFAOYSA-N	312.395	1.101	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C(=O)Nc1cccc(C(=O)O)c1	1610699521	FRKBEWCLSGKVDL-UHFFFAOYSA-N	318.264	1.001	50	20	DDGD	
CC(Cc1cccc(F)c1)=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549316250	FKWFXKPWHYQYSC-HOTGVXAUSA-N	319.380	1.724	50	20	DDGD	
O=C(NCC[C@H]1CCOC1)NNc1cccc(C(=O)O)c1F	1610691349	XXZLVDDIJSTEIK-VIFPVBQESA-N	311.313	1.577	50	20	DDGD	
CC[C@H]1NCC[C@@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	1577308314	LNDNKYSGVIEZAL-VHSXEESVSA-N	302.300	1.932	50	20	DDGD	
CC[C@H](N)CNC(=O)NNc1cccc(F)c1Br	1577122519	UVXVKFYZYAKCBN-ZETCQYMHSA-N	319.178	1.952	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@@H]2CNCC2(C)C)c1	1578420691	SXIAUKZSQMKXLP-ZDUSSCGKSA-N	319.409	1.469	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc2c(c1)CNCCO2	1574544887	KGYFGMIQPRUSIK-UHFFFAOYSA-N	316.361	1.125	50	20	DDGD	
O=C(C[C@H]1CCNC1)NNC(=O)c1nc2ccccc2s1	1580565845	AFUGVHNEMCVUTO-SECBINFHSA-N	304.375	1.057	50	20	DDGD	
C#CCCCC(=O)NN=C(CC)c1cccc(-c2nn[nH]n2)c1	1588341018	REMXXPNKKMTEKD-UHFFFAOYSA-N	310.361	1.901	50	20	DDGD	
Nc1ccc(C(=O)NNC(=O)Cc2ccc3ccccc3c2)cn1	1580439399	FKQZQBVZTFSYGU-UHFFFAOYSA-N	320.352	1.821	50	20	DDGD	
C[C@H]1CCCC[C@@H]1CC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1590254959	YJFPUSJJTNYBQF-WDEREUQCSA-N	315.381	1.921	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1ccc(Cl)c(C(=O)O)n1	1596509251	FFVOTXGJKGZKRP-SOFGYWHQSA-N	309.709	1.493	50	20	DDGD	
CC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC#N	1795858445	RLJLRIKSFPSDLF-YVECIDJPSA-N	311.813	1.946	50	20	DDGD	
CN1/C(=C(/C#N)C(=O)Cn2cnc(C#N)n2)Nc2ccccc21	14144328	XEUBFINDDNLFQE-GDNBJRDFSA-N	305.301	1.016	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNC(=O)c2cccnc2)cc1	15508239	DAOZTYLJMULWLU-UHFFFAOYSA-N	311.341	1.814	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1cccc([N+](=O)[O-])c1O	151852759	RSXAZMLSBBVXJJ-UHFFFAOYSA-N	309.669	1.501	50	20	DDGD	
O=C(NCc1nc(C(F)(F)F)cs1)NNc1ncccn1	155486383	MMGJSBGQMOCAHK-UHFFFAOYSA-N	318.284	1.778	50	20	DDGD	
COc1ccc(NNC(=O)c2cc3ccccc3oc2=O)nc1	159045479	YWJWVOXYCAPJKD-UHFFFAOYSA-N	311.297	1.954	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C\c1ccc(OCC(=O)O)cc1	208684895	FFMGMHDQSJEILG-LCYFTJDESA-N	302.330	1.973	50	20	DDGD	
COc1ccc2c(c1)CCN(S(=O)(=O)CBr)C2	849462654	XIQRDXJOAWZNSR-UHFFFAOYSA-N	320.208	1.736	50	20	DDGD	
COC(=O)CN(C(C)C)S(=O)(=O)c1ccc(CCl)cc1	312447206	CEHYHBKPRAGOLL-UHFFFAOYSA-N	319.810	1.998	50	20	DDGD	
CCN(C(=O)CCl)C1CCN(c2ncnc3[nH]cnc23)CC1	1887497646	SAAPCGFRPDZWSL-UHFFFAOYSA-N	322.800	1.409	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2cccc3ccccc23)[nH]n1	6420656	XHHHQUMPHUXYFG-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C(=O)NC(C)C)oc2ccc(F)cc12	7436529	XZEYYCMKCJKRGB-UHFFFAOYSA-N	321.308	1.166	50	20	DDGD	
CN(C)c1cc(C(=O)NNC(=O)c2cccc(C#N)c2)ccn1	103402099	ORNGICBQOIVPDN-UHFFFAOYSA-N	309.329	1.094	50	20	DDGD	
CNC(=O)NNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1C	56375347	ZYZJYXGBXSRPTF-UHFFFAOYSA-N	305.313	1.202	50	20	DDGD	
COc1ccc(F)cc1C(=O)NNC(=O)c1cccc(C#N)c1	103402460	AKGMLCORYPRVRO-UHFFFAOYSA-N	313.288	1.781	50	20	DDGD	
CCN(CCNC(=O)NNC(=O)Cc1ccc(F)cc1)C1CC1	102068592	BNLIMSJPZPGQFB-UHFFFAOYSA-N	322.384	1.183	50	20	DDGD	
Cc1cncc(C(=O)NNC(=O)NCCc2cccs2)c1	173840143	XBQMPURHRRGFCC-UHFFFAOYSA-N	304.375	1.638	50	20	DDGD	
CC[C@H](OC1CCCC1)C(=O)NNC(=O)CNc1ccccc1	113414392	DUWCKXGEWFKHRC-HNNXBMFYSA-N	319.405	1.984	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)c1ccc(C#N)cc1	61462268	RELOAAWSFKHQQP-UHFFFAOYSA-N	324.296	1.850	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)CSc1ccccc1O)C1CC1	179715140	LDDIFAXUGJRFOX-CSKARUKUSA-N	306.387	1.988	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Cc1c[nH]c2ccccc12	119489057	GHJSEQIWOQALFK-UHFFFAOYSA-N	308.341	1.496	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc(Cl)cc1F	175816237	OTQJKXZAXMLJGJ-UHFFFAOYSA-N	300.717	1.667	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1cc(F)c(F)cc1F	115719192	NJVNPCVCMZPLHI-MRVPVSSYSA-N	306.284	1.989	50	20	DDGD	
O=C(CCc1nc(-c2ccccc2)no1)NNC(=O)NC1CC1	64429326	ADQNYMRWFWFSDV-UHFFFAOYSA-N	315.333	1.162	50	20	DDGD	
COC(C)(C)C[C@@H](C)NC(=O)NNc1cncc(Cl)n1	175967947	CUWHWCBABCLYHK-MRVPVSSYSA-N	301.778	1.960	50	20	DDGD	
O=C(NCCn1c(=O)oc2ccccc21)NNc1ccccc1	114961038	DEEHPGRRPIHIGC-UHFFFAOYSA-N	312.329	1.921	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCC(=O)NC(C)C)c1ccccc1	111440223	CEIWDKGXRXCRTQ-ZDUSSCGKSA-N	320.393	1.035	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1ccncc1	116161279	IGYCOHDGSBOSJB-WDEREUQCSA-N	317.295	1.925	50	20	DDGD	
CC(=O)NNC(=O)CSc1nccn1-c1cc(C)cc(C)c1	29892860	RBHYWSZHTIEUBB-UHFFFAOYSA-N	318.402	1.749	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cn1ccc2ccccc21)C1CC1	170920429	VWOWDCFPTDVBDT-NSHDSACASA-N	300.362	1.770	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2ccn3ccnc3c2)n1	177772535	CIXYRJYMFUNJKZ-UHFFFAOYSA-N	311.349	1.567	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@]1(C)CC(c2ccccc2)=NO1	1348913308	KIYZDLYVHJBOSN-OAHLLOKOSA-N	320.418	1.473	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)Cc2cn3ccccc3n2)o1	177028182	ITQPOQGJQQANDP-UHFFFAOYSA-N	312.329	1.548	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@H]2CCCOC2)cc1	170796355	PTSAIKAPISSWHA-ZDUSSCGKSA-N	306.362	1.202	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H]2CCO[C@H](C3CC3)C2)n1	128735887	NUAXBANAGDDVCU-RYUDHWBXSA-N	306.366	1.674	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)Cc1cncs1	187284346	MMDFMZPVPYSFAO-UHFFFAOYSA-N	309.322	1.051	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1C	124727986	ZFKRRVBOBDYDKL-MRVPVSSYSA-N	311.769	1.780	50	20	DDGD	
C=C[C@@](C)(CCOC)C(=O)NNC(=O)c1ccccc1OC	188649716	DCTCABPXQPEQEF-INIZCTEOSA-N	306.362	1.685	50	20	DDGD	
C[C@H](Oc1ccc(F)c(F)c1)C(=O)NNc1ncc(F)cn1	122998959	KNLPQDYHKZNBOU-ZETCQYMHSA-N	312.251	1.805	50	20	DDGD	
O=C(NNc1ccncc1)[C@@H]1CCCN(CC(F)(F)F)C1	180511059	TYEHHGMEJAYVMY-SNVBAGLBSA-N	302.300	1.799	50	20	DDGD	
CSCc1noc(CCC(=O)NNc2ccnc(F)c2)n1	182441497	RKWLLSLCSYCDIH-UHFFFAOYSA-N	311.342	1.543	50	20	DDGD	
CCCCn1nc(C)c(/C=C/C(=O)NN(C)C(N)=O)c1Cl	181057419	DBDABPRJSZCNEF-VOTSOKGWSA-N	313.789	1.700	50	20	DDGD	
NC(=O)NCCCCC(=O)NNc1ccc2ccccc2n1	181142170	XDIIQTZAWLIMRX-UHFFFAOYSA-N	301.350	1.517	50	20	DDGD	
Cc1nscc1C(=O)NNc1nc2ccccc2c(=O)n1C	182001881	SBBAMYRLXXNTPE-UHFFFAOYSA-N	315.358	1.455	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)oc1C	133760888	HHADGXMAEXAYEK-RYUDHWBXSA-N	323.393	1.157	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1ccncc1Cl	73101386	XNBCRAIZQWGOKY-UHFFFAOYSA-N	319.748	1.713	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)CCc1cccs1	77163869	BSMRKGDZRXCLEE-UHFFFAOYSA-N	311.407	1.133	50	20	DDGD	
CN(NC(=O)CCc1ccccc1OC(F)(F)F)C(N)=O	181059708	ISNDQZYIFZLBII-UHFFFAOYSA-N	305.256	1.560	50	20	DDGD	
COC1CCC(CC(=O)NNC(=O)CNc2ccccc2)CC1	89485002	QTFVATVAYFIJQE-UHFFFAOYSA-N	319.405	1.841	50	20	DDGD	
C[C@@H](CCc1ccc(O)cc1)NC(=O)NNc1ncccn1	45382491	NNLYTJVOYFKBPQ-NSHDSACASA-N	301.350	1.830	50	20	DDGD	
O=C(NCc1cccc(F)c1)NNC(=O)c1ccccc1O	45608172	ITDPGMMGVIUHDN-UHFFFAOYSA-N	303.293	1.676	50	20	DDGD	
CN(C)[C@@H](CNS(=O)(=O)CCCCl)c1cccs1	40809840	YAULRJDPIFUHMP-JTQLQIEISA-N	310.872	1.899	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C2(O)CCCCC2)c1	86531639	LHYPQJXRNJHBTA-UHFFFAOYSA-N	320.389	1.525	50	20	DDGD	
CCc1onc(C)c1NC(=O)C(=O)NNc1ccc(C)cc1	131580158	SSGGHAPHIHKMOV-UHFFFAOYSA-N	302.334	1.936	50	20	DDGD	
Cc1nn(C)cc1CCC(=O)NNc1ccc([N+](=O)[O-])cc1	134082368	ZLCUAVBABIEHIU-UHFFFAOYSA-N	303.322	1.713	50	20	DDGD	
Cc1nn(-c2ccccc2)c(C)c1C(=O)NNC(=O)C(C)(C)O	190069525	DYBBAIIVZAIVDF-UHFFFAOYSA-N	316.361	1.021	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)n1	248559065	MCNGAJPJIPYZAJ-OLZOCXBDSA-N	321.425	1.837	50	20	DDGD	
COc1ccc(Cl)cc1NCC(=O)NNC(=O)C1CCC1	264812758	VWRHOEFSBWEHMD-UHFFFAOYSA-N	311.769	1.708	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H]2CCCN2C2CCCC2)n1	269698723	PKWGVSDJJWRPNX-CQSZACIVSA-N	303.410	1.944	50	20	DDGD	
CC(C)CC[C@@H](C)NC(=O)NNC(=O)COc1ccccc1O	264453177	HCDPWDRCUSIXJL-GFCCVEGCSA-N	323.393	1.926	50	20	DDGD	
Cc1nc2n(n1)C[C@@H](NC(=O)NNc1c(F)cccc1F)CC2	265423399	GIYLIQPXJGZZJR-VIFPVBQESA-N	322.319	1.506	50	20	DDGD	
CO[C@@H](C)CCNC(=O)NNC(=O)c1ccc2ccccc2n1	263756184	LFHDOHCQFWOFGI-NSHDSACASA-N	316.361	1.604	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H](NC(=O)NNc1cccnn1)C2	271027949	BJDHOCOYTHYZRV-NSHDSACASA-N	315.333	1.115	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2CCO[C@H](CC(C)C)C2)n1	272092963	LIOFGMUUPYJXEN-NWDGAFQWSA-N	323.397	1.705	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1	274141342	CDJDZDHNTXUDTF-HIFRSBDPSA-N	317.389	1.897	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NNc1cccc(C(=O)OC)c1	272921624	FHFUEEHQSRIXRX-LBPRGKRZSA-N	322.365	1.143	50	20	DDGD	
CN(C)C(=O)c1ccccc1OS(=O)(=O)CBr	272855514	WJCIRYZWPLOPBR-UHFFFAOYSA-N	322.180	1.449	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNc1cnc2ccccc2n1	274219081	RACFJNNTCPRCQW-UHFFFAOYSA-N	317.349	1.598	50	20	DDGD	
N#CC1=CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCO2)CC1	271143369	SSMVPDREZVZZDI-QGZVFWFLSA-N	311.385	1.570	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NNC(=O)CSc1ccccc1O	270706816	NLJBIILQQOONIH-KOLCDFICSA-N	310.375	1.057	50	20	DDGD	
CCC1(C(=O)NNC(=O)Cc2ccccc2OC)CCOCC1	272364356	SOTUVCKGPZSXLM-UHFFFAOYSA-N	320.389	1.592	50	20	DDGD	
CCCC(=O)N1CCC[C@H](C(=O)NNc2ncccc2C)C1	276674864	DOGPQTZNKPIFLB-ZDUSSCGKSA-N	304.394	1.872	50	20	DDGD	
Cc1c(NNC(=O)C(=O)N2CCC[C@@H](C)C2)cccc1[N+](=O)[O-]	278344107	FWLSGKZCBLPHCV-SNVBAGLBSA-N	320.349	1.605	50	20	DDGD	
O=C1CCc2cc(NC(=O)NNC(=O)C3CCC3)ccc2N1	272828838	MKJGYPCNBPIPKD-UHFFFAOYSA-N	302.334	1.524	50	20	DDGD	
COC(=O)N(C)c1ccc(NC(=O)NNC(=O)C2CC2)cc1	274121037	SQBMNMVAAGPUQN-UHFFFAOYSA-N	306.322	1.452	50	20	DDGD	
COC(=O)[C@H]1CC[C@H]1C(=O)NNc1nccnc1C1CCC1	287215750	OEPGDIYPKOVBSU-MNOVXSKESA-N	304.350	1.386	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)Nc1cccc(F)c1Cl	289080371	DNNKCBRXCILMSG-UHFFFAOYSA-N	313.716	1.365	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H]2C[C@]23CCOC3)cc1	374656878	UJJXHBGBIRMBNZ-DOMZBBRYSA-N	305.334	1.275	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C(C)(C)C)C(C)C	281291213	IIXDCDQUADZWNU-XQQFMLRXSA-N	309.410	1.426	50	20	DDGD	
O=C(NNc1ncccn1)Nc1nc(C2CCOCC2)cs1	376757660	XVCXUTTXSRJCLU-UHFFFAOYSA-N	320.378	1.976	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)C(=O)Nc1cccc(Cl)n1	285016811	CQKIJGYSHAADRE-UHFFFAOYSA-N	324.768	1.401	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1nc(C)c(C)s1	285450352	ZJLIHDRNGPYBKJ-UHFFFAOYSA-N	305.450	1.826	50	20	DDGD	
COc1cccc(OCC(=O)NN(C)C(=O)OC(C)(C)C)c1	297696738	PGUWNJWAGKUOTG-UHFFFAOYSA-N	310.350	1.972	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1ocnc1C1CC1	291490388	SQAJATGVDFNHLS-UHFFFAOYSA-N	319.292	1.531	50	20	DDGD	
CC1=C(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)SCCO1	803440075	ROERZXWWIFSSBG-UHFFFAOYSA-N	317.370	1.966	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2O[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1	800334936	UZVAJWXHFLOMEH-JRKPZEMJSA-N	309.322	1.860	50	20	DDGD	
CO[C@H](CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C)C1CC1	294493280	JNUFERLPMSKIGY-QHDPKREISA-N	312.373	1.653	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)Cn2cc(Cl)cn2)o1	806679935	NOPOKOGIUSBEOQ-UHFFFAOYSA-N	308.729	1.663	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)c(OC)c1	297467613	NNDKILQPHFGXMK-LBPRGKRZSA-N	323.349	1.426	50	20	DDGD	
CSSCCNC(=O)N(C)Cc1nnc2ccccn12	807233753	LYPONJGGKLDMBP-UHFFFAOYSA-N	311.436	1.882	50	20	DDGD	
Cn1nc(CNC(=O)NNc2ncccc2F)c2ccccc21	805281831	DVYHFNLXCSWZDY-UHFFFAOYSA-N	314.324	1.934	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)s1	293911029	AFMRRFSNWZLFKK-WPRPVWTQSA-N	311.407	1.733	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](CC(=O)OC)c1ccc(F)cc1	294424177	GCLTYEIKBJBTFH-IEZBTEQYSA-N	320.320	1.990	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	293103296	PBMKTCURCYKLCY-ZANVPECISA-N	308.334	1.032	50	20	DDGD	
O=C(COCc1cccnc1)NNC(=O)c1cccc(Cl)c1	805152317	RNAMMOORBMIZCX-UHFFFAOYSA-N	319.748	1.713	50	20	DDGD	
COc1nnccc1NC(=O)NNc1cnc2ccccc2n1	808901639	CTZQNANCNJBZHH-UHFFFAOYSA-N	311.305	1.577	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@H](C)Cc2ccc(O)cc2)O1	296957253	AUVUAVXJHDZTDX-SUNKGSAMSA-N	321.377	1.221	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)NOCC2CC2)c1C	297455907	QLFCFPPHDJHJAP-LBPRGKRZSA-N	321.377	1.743	50	20	DDGD	
O=C(CNC(=O)C1CCCCC1)NNc1ncc(F)cc1F	297042922	UTDIUACIGQKLSB-UHFFFAOYSA-N	312.320	1.499	50	20	DDGD	
Cc1cnccc1C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802121384	AZWKEIIWBMZODU-UHFFFAOYSA-N	313.361	1.923	50	20	DDGD	
C[C@H](NC(=O)CC1CCCCC1)C(=O)NNc1ncncc1F	294243385	ZXRWPNGVLUSADA-JTQLQIEISA-N	323.372	1.534	50	20	DDGD	
CC[C@H](O)CNC(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C	293677647	LDVXRJONMAUZMJ-LRQZKABGSA-N	319.405	1.545	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1cccc(F)c1Cl	297035288	MGELPSWNMIOZTE-VIFPVBQESA-N	301.705	1.811	50	20	DDGD	
Nc1nc(C2CC2)ncc1C(=O)NNc1c(F)cccc1F	806883127	DZMUULJFOFKJCR-UHFFFAOYSA-N	305.288	1.971	50	20	DDGD	
Cn1nncc1NNC(=O)c1cnn(-c2ccc(Cl)cc2)c1	816772025	KGAYEICIRIYZTG-UHFFFAOYSA-N	317.740	1.411	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)Cc1ccc(Cl)cc1	812451545	IFRLHMLKQCIWIX-WDEREUQCSA-N	312.797	1.949	50	20	DDGD	
Cn1nc(C(=O)NN=C2CCn3cccc32)c2ccccc2c1=O	818237025	WVRNFYIXIVKOAR-UHFFFAOYSA-N	321.340	1.273	50	20	DDGD	
O=S(=O)(c1ccc(CCl)cc1)N1C[C@H]2CC[C@@H](O)[C@H]2C1	712348638	CAHDFPQLQRIANB-KWCYVHTRSA-N	315.822	1.817	50	20	DDGD	
Cc1nc(C)c(CCNC(=O)NNc2ncncc2F)s1	814298388	SODFJTBHBYZVSV-UHFFFAOYSA-N	310.358	1.558	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NOC/C=C/Cl	811984414	KUMYGKFVCCOBPB-ZZXKWVIFSA-N	301.705	1.383	50	20	DDGD	
CCCN1C[C@H](CNC(=O)NNC(=O)CC(C)(C)C)CC1=O	817173435	RFWQGHCOXUTWLY-NSHDSACASA-N	312.414	1.012	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1cc([N+](=O)[O-])ccc1N	814864394	CCJIRSYRMHLKRK-SNVBAGLBSA-N	324.337	1.069	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)c1ccc2c(c1)OCCO2	811637384	VJBAUUBYLBRACU-GFCCVEGCSA-N	317.345	1.232	50	20	DDGD	
Cc1cc(OC(=O)COCc2nncn2C)ccc1[N+](=O)[O-]	815912479	NMTZWOHYJYINKE-UHFFFAOYSA-N	306.278	1.154	50	20	DDGD	
C=CCC(F)(F)C(=O)OCC(=O)NNC(=O)c1ccccc1	815312050	JLTSGYFPXLVFDW-UHFFFAOYSA-N	312.272	1.202	50	20	DDGD	
CCc1nn(C)c(OC)c1C=NNC(=O)NCC(F)(F)F	814812454	WSVGLIXHMAGOKI-UHFFFAOYSA-N	307.276	1.187	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](N)CC2CCCCC2)n1	817943716	RCYLWUXVMVSQIZ-GFCCVEGCSA-N	307.398	1.534	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H]2CC(=O)NNc1ncncc1F	817079535	GRIXBLIORDLMNV-VIFPVBQESA-N	318.308	1.634	50	20	DDGD	
CN(C)CCn1cc(NC(=O)NNc2cccc(Cl)n2)cn1	814653960	YPUPGVJJIFTCIM-UHFFFAOYSA-N	323.788	1.642	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@H](C)n2cccn2)cc1F	819559513	OFSDHPKMGUARCG-JTQLQIEISA-N	320.324	1.903	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H]2CC(=O)NNC(=O)CC1CC1	819126939	ZHEFYDLNLBYBDB-NSHDSACASA-N	304.346	1.509	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2cnn(CC(F)F)c2)cs1	814215297	NVORUAMXOXPXSE-UHFFFAOYSA-N	313.333	1.606	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1cn(C(C)C)cn1	811216337	JIJOKEUFYLULMX-NSHDSACASA-N	324.381	1.203	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C(C)c1cc(CO)on1	812223755	LAMVECZGAKMFJB-UHFFFAOYSA-N	319.317	1.095	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)[C@H]1CCCSC1	810385398	RKEKXBJCLMQYMG-JTQLQIEISA-N	314.432	1.676	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(C(=O)N(CC)CC)cc1	729345735	RNBZIXGXAAIJQC-UHFFFAOYSA-N	320.393	1.523	50	20	DDGD	
O=C(NCc1cccc(C(=O)O)c1)NNc1cncc(Cl)n1	821446550	VTGUXJIDUHKBOF-UHFFFAOYSA-N	321.724	1.655	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)Cn2ccc3ccccc32)CO1	825937812	CQEIRGNPUAWLKP-DGCLKSJQSA-N	316.361	1.149	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@H]1C[C@@H]1C1CC1	826445181	JYRJWSGARTXVPD-BDAKNGLRSA-N	319.756	1.404	50	20	DDGD	
CC(CC1CC1)=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	820234794	PNGDIQSAKMZMTI-UHFFFAOYSA-N	314.349	1.538	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccccc1Oc1cnn(C)c1	495693436	OEJFMGVJQJDFDK-UHFFFAOYSA-N	304.306	1.555	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNC(=O)Cc2cccnc2)cc1	728852177	QJCYOCUSYRTOPT-UHFFFAOYSA-N	313.357	1.873	50	20	DDGD	
O=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)CCl)CC1	820784834	ZORDQSVQAWMWAA-UHFFFAOYSA-N	320.773	1.110	50	20	DDGD	
CC(=NNC(=O)c1ccc[nH]1)c1cccc(NS(C)(=O)=O)c1	729816487	NAIHFGSLNUONGR-UHFFFAOYSA-N	320.374	1.540	50	20	DDGD	
CNC(=O)OC[C@@H]1CCCCN1C(=O)NCCSSC	496867712	XPUOKDJTNIFKTG-JTQLQIEISA-N	321.468	1.918	50	20	DDGD	
CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NNC(=O)OCC	491015785	INJNBGHVKOWPQZ-ABRRARGCSA-N	315.395	1.022	50	20	DDGD	
Cc1ccccc1C1(C(=O)NN(C)C[C@H](C)O)CCOCC1	821218296	XKZKUCCFTRZRIO-AWEZNQCLSA-N	306.406	1.387	50	20	DDGD	
CCC(CC)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	494140195	AZULYHCTIXADHG-UHFFFAOYSA-N	315.414	1.875	50	20	DDGD	
O=C(NCc1nccn1C(F)F)NNC(=O)C1CCCC1	726709615	NORKSKVQYIWURE-UHFFFAOYSA-N	301.297	1.299	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1	491850769	XDOGOKLJFCMCNG-UHFFFAOYSA-N	321.377	1.853	50	20	DDGD	
O=C(CCc1cscn1)NNc1nc(-c2cccnc2)no1	728074954	QBYAJNXRDGZBMW-UHFFFAOYSA-N	316.346	1.664	50	20	DDGD	
CC(=NNC(=O)C1CCC1)c1ccc(-c2nn[nH]n2)c(F)c1	823948177	FNPDNXBRQSYUNM-UHFFFAOYSA-N	302.313	1.646	50	20	DDGD	
CN1CCC[C@]2(CCN(C(=O)/C(C#N)=C\c3cnn(C)c3)C2)C1	491006626	DVYROEMAHGCJOZ-KCPLEYNQSA-N	313.405	1.271	50	20	DDGD	
CCCOc1cc(OC)ccc1C(=O)N1CC[C@@H](B(O)O)C1	585063670	FFXRCIMJLMWAEP-LLVKDONJSA-N	307.155	1.173	50	20	DDGD	
CCOc1ccccc1CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	825747874	AZRVJUBDHYXPTE-DGCLKSJQSA-N	321.377	1.341	50	20	DDGD	
CCc1cnc(O)c(C(=O)NNc2nc(C)cc(OC)n2)c1	829488539	UYKNSJCZYFLUMN-UHFFFAOYSA-N	303.322	1.214	50	20	DDGD	
CCCC[C@H](SCC(=O)NNC(=O)C(C)C)C(=O)OC	829524551	OZPPRNYEYZMAMI-JTQLQIEISA-N	304.412	1.255	50	20	DDGD	
OB(O)[C@H]1CCN(c2ccnc3cc(Br)cnc23)C1	585079397	ZYCLQNNGJYZRRO-QMMMGPOBSA-N	321.971	1.445	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC(C)(C)c2ccccc21	829930802	CIRHADRIBXOFSL-UHFFFAOYSA-N	303.406	1.978	50	20	DDGD	
COCCCCc1cccnc1NCc1ccccc1B(O)O	585044087	ZILGTCHNFZOILG-UHFFFAOYSA-N	314.194	1.343	50	20	DDGD	
CN(C)[C@]1(CNC(=O)[C@@]2(C)C[C@H]2Br)CCSC1	906901998	PAFZQJDKERAUFC-USWWRNFRSA-N	321.284	1.713	50	20	DDGD	
CC(=O)Nc1ccc(O)c(C(=O)NNc2cc(C)ncn2)c1	734255336	WQBVYJQFIYJELO-UHFFFAOYSA-N	301.306	1.206	50	20	DDGD	
O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)c1cccc(B(O)O)c1	584949603	NMXXKKKWTOOGGM-QAPCUYQASA-N	323.201	1.508	50	20	DDGD	
CCOC(=O)N[C@H](C(=O)NNc1ncncc1Cl)C(C)C	495511413	RJMVZMZBFWIPSK-VIFPVBQESA-N	315.761	1.344	50	20	DDGD	
C#CCOc1ccccc1CNC(=O)NNC(=O)c1ccccc1	734164166	ZJXVFLIBTRTBCO-UHFFFAOYSA-N	323.352	1.843	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cc2c(cn1)CCCC2	831827498	NKMXOVRUJBCUDA-MFKMUULPSA-N	318.377	1.538	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccncc1)C(=O)OC(C)(C)C	734418933	WLALYOFRDYSACV-UHFFFAOYSA-N	322.365	1.100	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CCn2cc(C)cn2)ccc1F	837034789	UGQOJZGNLRIPGI-UHFFFAOYSA-N	320.324	1.651	50	20	DDGD	
COc1cc(F)cc(C[C@H](C)NC(=O)NNc2ncccn2)c1	838728357	FMRHYXQGVHZOJT-JTQLQIEISA-N	319.340	1.882	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2(C)CCOCC2)cc1F	837052137	YUNPJPYKVBJSJH-UHFFFAOYSA-N	310.325	1.872	50	20	DDGD	
COc1cc(C(C)=O)c(OC)cc1OS(=O)(=O)CCl	830876890	BSUBJNJDEWJWKP-UHFFFAOYSA-N	308.739	1.811	50	20	DDGD	
N#Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)nc1	739105371	LMTKPFBIOHFENO-UHFFFAOYSA-N	313.225	1.779	50	20	DDGD	
O=C(C[C@@H]1CCOC1)NNC(=O)c1cc(-c2ccccc2)on1	739687390	FCLQUAZAXJZXGZ-NSHDSACASA-N	315.329	1.529	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1csc2cncn12	733933858	PWVRGRLRGLZUQH-UHFFFAOYSA-N	316.342	1.479	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@@H]1C[C@@]12CCOc1ccccc12	584913188	QPWYMNTTXYEAGP-MAUKXSAKSA-N	323.157	1.045	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1C[C@H]1CC(C)C	830189927	FGPUERFXWNMMPI-VXGBXAGGSA-N	300.399	1.605	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2ncc(F)cc2F)c2nccn21	838689763	VGZQDMNIVSXPGZ-OIBJUYFYSA-N	308.292	1.888	50	20	DDGD	
CCC[C@@H](Cc1ccccc1)NC(=O)c1cccc(B(O)O)c1	584940016	QJDYRONWEOVWBZ-KRWDZBQOSA-N	311.190	1.508	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2CCN(c3ccccn3)C2)C[C@H]1Br	907117971	XHFHYSZMQRYNJU-GYSYKLTISA-N	324.222	1.950	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCC[S@](C)=O)c1C	735050775	BVCSZRUPVMZPGP-NCSHYYEOSA-N	321.446	1.917	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H](CC(C)C)C(N)=O	839764527	DFJHGVDYWZWELT-LLVKDONJSA-N	308.338	1.494	50	20	DDGD	
Cc1ccc(F)c(C(=O)NNC(=O)COc2ccccc2O)c1	730779763	FGVQWFRGNCTXAT-UHFFFAOYSA-N	318.304	1.680	50	20	DDGD	
CC[C@@H](C)[C@H](C=NNC(=O)c1ccc(-n2cnnn2)cc1)OC	834930929	OXDMDHXUDPHGNU-RISCZKNCSA-N	316.365	1.439	50	20	DDGD	
CC[C@@H](C)[C@@H](C=NNC(=O)c1ccc(-n2cnnn2)cc1)OC	834930925	OXDMDHXUDPHGNU-BXUZGUMPSA-N	316.365	1.439	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccc(CN2CCCCC2=O)cc1	915130990	APIZEYLZWNXHMU-UHFFFAOYSA-N	315.373	1.370	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cccc2c1ccn2C	831416996	OWMOCPPVWQXIRN-QWRGUYRKSA-N	316.361	1.756	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNC(=O)c1cn(C)c2ccccc12	919975213	MJGABLFEZBOWIK-AWEZNQCLSA-N	303.362	1.754	50	20	DDGD	
CS(=O)(=O)Cc1ccc(C(=O)NNC(=O)C2CCCC2)cc1	914842852	RZGBHFLBJUSPKV-UHFFFAOYSA-N	324.402	1.182	50	20	DDGD	
C[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)C(C)(C)C	734625401	NKIJRIYNGUBQFR-LLVKDONJSA-N	306.362	1.673	50	20	DDGD	
COc1ccc(OC)c(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	831063069	SQYHPPVMIGCHPN-GXSJLCMTSA-N	323.349	1.282	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2cc(F)ccc2Br)N1	839880335	CVWTXWTYYAIVPR-QMMMGPOBSA-N	316.130	1.310	50	20	DDGD	
CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C1C(C)(C)C1(C)C	746565139	OTDHGUYRCHWPEH-SNVBAGLBSA-N	315.439	1.531	50	20	DDGD	
O=C(O)Nc1ccc(CCNC(=O)NNC(=O)C2CCC2)cc1	740023443	MMTHWUXVTODWLV-UHFFFAOYSA-N	320.349	1.450	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNc1nc(O)c2ccccc2n1	842233536	VHBUUXNVPCAXAX-GFCCVEGCSA-N	304.350	1.840	50	20	DDGD	
CNC(=O)NNC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1	919879209	LGUFWIRGFVHIPP-UHFFFAOYSA-N	316.239	1.640	50	20	DDGD	
CC(C)[C@H](N)CNC(=O)NNC(=O)c1ccc(Cl)cc1F	841943862	POCSDYZIOMAGAR-LLVKDONJSA-N	316.764	1.406	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1oc2ccccc2c1CN(C)C	910168173	QHYMVGUXQGBBKX-LLVKDONJSA-N	305.378	1.452	50	20	DDGD	
COc1cc(C)nc(NNC(=O)COc2ccc(C=O)cc2)n1	746627107	DXGJRDPQAMKQME-UHFFFAOYSA-N	316.317	1.128	50	20	DDGD	
CC[C@H](C)n1ncc2c(C(=O)NN(C)C[C@@H](C)O)cc(C)nc21	910165902	PZEBWJNBBJEITQ-NWDGAFQWSA-N	319.409	1.668	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=C1CCN(C(=O)CC(C)(C)C)CC1	842553171	FGNXHLYKUQSELN-GXTWGEPZSA-N	323.437	1.942	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCC2(C#N)CCC2)c1	842196144	GVSILPUJWBECCM-UHFFFAOYSA-N	315.377	1.390	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H]1CCc2ncncc2C1	843754878	SXIZHFAQHFVUJE-GFCCVEGCSA-N	310.357	1.351	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCCOCCO)c1C	740202433	BCPJWPLZWUHEMD-WJDWOHSUSA-N	320.389	1.974	50	20	DDGD	
C[C@]1(C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)C[C@H]1Br	912459893	XYBJWAJCFVYQRS-COMAGPEQSA-N	315.211	1.287	50	20	DDGD	
CNC(=O)c1ccc(C=NNC(=O)c2ccc(Cl)nc2)cc1	915976803	ZUIOHCQIEFRGNU-UHFFFAOYSA-N	316.748	1.859	50	20	DDGD	
CCc1nc2ccc(C(=O)NN(C)C[C@@H](C)O)cc2nc1CC	910174658	HHVYRQXSPSTFGJ-LLVKDONJSA-N	316.405	1.712	50	20	DDGD	
CCO[C@H](CC)C(=O)NNC(=O)c1cn(C)c2ccccc12	919975215	MJGABLFEZBOWIK-CQSZACIVSA-N	303.362	1.754	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)c2ccccn2)c1Cl	742031156	AVPRMDMPZJNTKP-UHFFFAOYSA-N	307.741	1.335	50	20	DDGD	
Cc1c(C(=O)NN(C)C[C@H](C)O)cnn1-c1ccc(F)cc1	910174801	XHSGFVPHQIIGAE-JTQLQIEISA-N	306.341	1.277	50	20	DDGD	
Cc1c(NNC(=O)N[C@H](C)[C@@H]2CCCNC2)cccc1[N+](=O)[O-]	841929283	VJYBVMBXTNPWSU-VXGBXAGGSA-N	321.381	1.917	50	20	DDGD	
N#CSCCCNS(=O)(=O)N1CCc2ccccc2C1	916964056	IHUSPUSWQUHCBT-UHFFFAOYSA-N	311.432	1.483	50	20	DDGD	
CC(C)(N)CNC(=O)NNC(=O)Nc1cc(F)cc(F)c1	841950295	LGMFCGPLCZFUCV-UHFFFAOYSA-N	301.297	1.038	50	20	DDGD	
Cc1noc(C(F)(F)F)c1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843651644	DZYAFNXCKGXSFO-NKWVEPMBSA-N	321.255	1.188	50	20	DDGD	
CCOc1ccc(C=NNC(=O)[C@@H](C)CN2CCOCC2)cc1	916363649	XFTCOWRMHGLYQW-AWEZNQCLSA-N	319.405	1.504	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)c2ccn(C)n2)c(OC)c1	841624723	WQSKPVYJOBYQGW-UHFFFAOYSA-N	302.334	1.591	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cnc(OCc2ccccc2)cn1	910151955	HOJZRTZNSSDXRJ-GFCCVEGCSA-N	316.361	1.013	50	20	DDGD	
O=C1CC[C@](C(=O)NCC(Cl)Cl)(c2ccccc2)CN1	848067586	DBHFGVLVWCHTSZ-CQSZACIVSA-N	315.200	1.754	50	20	DDGD	
N#CCN(CC(=O)NNC(=O)c1cccc(Cl)c1)C1CC1	749441403	UKQUJGDWAVSPGF-UHFFFAOYSA-N	306.753	1.089	50	20	DDGD	
CC(C)(C)OC(=O)CCNC(=O)NNC(=O)CC(F)(F)F	745835894	HMVSEVXBFJZHNM-UHFFFAOYSA-N	313.276	1.001	50	20	DDGD	
CC(=O)NNC(=O)c1nn(-c2cc(F)cc(F)c2)c2c1CCC2	843751004	WQHFYDCOAZWVNF-UHFFFAOYSA-N	320.299	1.420	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H](C)Cc2ccccn2)n1	848670252	KNVIXBJBUMOBSD-SNVBAGLBSA-N	316.365	1.446	50	20	DDGD	
O=C(NCCO[C@@H]1CCOC1)NNc1ccc(Cl)cc1F	927526125	KXPMUPVNGMCSBI-SNVBAGLBSA-N	317.748	1.911	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(Cl)nn1)C(=O)OC(C)(C)C	840862736	ZKQSSUBIWLZNMF-SSDOTTSWSA-N	300.746	1.551	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(C)o2)cc1	844162145	VIRLBLVVICPUMS-UHFFFAOYSA-N	316.313	1.514	50	20	DDGD	
COCCC1(C(=O)NNc2ccc(CC(=O)OC)cc2)CC1	846374565	SMYOJZGZMVQYSH-UHFFFAOYSA-N	306.362	1.662	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=CC[C@H]1CCCCC12OCCO2	842557351	DGXGTUXILDVARA-MJBXVCDLSA-N	310.394	1.837	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1cccc2c1OCO2	759294251	KLGSERWUFGMCEG-UHFFFAOYSA-N	302.246	1.475	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2cnc3ncccn23)cs1	755542626	SUSJBCVTXHGLOC-UHFFFAOYSA-N	300.347	1.187	50	20	DDGD	
CC(C)(C)n1ncnc1CNC(=O)NNc1ccc(Cl)cn1	852310756	WEZBPACFFHUPSI-UHFFFAOYSA-N	323.788	1.908	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)c1ccccc1CC(C)(C)C	929449400	RCLFADNZCZLVED-UHFFFAOYSA-N	319.405	1.561	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)C2CCC3(CC2)CC3)n1	854231435	IGVQDAZYWYFWCT-UHFFFAOYSA-N	304.394	1.618	50	20	DDGD	
C[C@@H](CO[C@@H]1CCOC1)NC(=O)NNc1ccc(F)c(F)c1	921387266	FAEUUTDCCXSJBA-GXSJLCMTSA-N	315.320	1.785	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccnn1CC(F)F)C1CC1	855097830	YLIORDTWTJZZHP-ZETCQYMHSA-N	317.365	1.056	50	20	DDGD	
CCc1nncn1CCNC(=O)NNc1ccc(F)c(F)c1	920856892	JERMWMZGSWSTNY-UHFFFAOYSA-N	310.308	1.445	50	20	DDGD	
Cc1cc(CS(=O)(=O)NC[C@@]2(C)C[C@H]2Br)on1	856755554	WAVTYEXKDYXGSK-NXEZZACHSA-N	323.212	1.576	50	20	DDGD	
NC1(CNC(=O)NNC(=O)c2cc3c(s2)CCC3)CCCC1	851671596	PXAVLIIHIOAKES-UHFFFAOYSA-N	322.434	1.452	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccccc1OCC(C)C	756095651	DFVDPBLPVLODHE-UHFFFAOYSA-N	309.366	1.911	50	20	DDGD	
C[C@@]1(CNC(=O)NCCCn2cncn2)C[C@H]1Br	856824303	FFBFTEWLHVZAAY-KOLCDFICSA-N	316.203	1.141	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1cccc(F)n1)CC(F)(F)F	852383062	ZWWBYQUPRJMYKT-SSDOTTSWSA-N	322.262	1.753	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)CN(C)C)cnn1C1CCCC1	753434951	QFMSBGLUIOIPNX-UHFFFAOYSA-N	321.425	1.273	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)COc1ccccc1O)C1CC1	855104184	BKERIZZTMAPSNV-SECBINFHSA-N	309.391	1.065	50	20	DDGD	
COc1cc(C=NNC(=O)NCc2ccco2)cc2c1OCO2	920826513	YLHLCYUBLDSPGC-UHFFFAOYSA-N	317.301	1.850	50	20	DDGD	
Nc1n[nH]c(CCNC(=O)CCCC[C@H]2CCSS2)n1	854516948	UTZUNGIWOUWFHU-VIFPVBQESA-N	315.468	1.760	50	20	DDGD	
C[C@@H](NS(C)(=O)=O)C(=O)NN=C[C@H]1CCCC(C)(C)C1	752735190	UNLPQSZOJUEBBS-MNOVXSKESA-N	303.428	1.243	50	20	DDGD	
CO[C@H](C=NNC(=O)c1cccc(C(=O)O)c1)C1CCOCC1	853427391	SEBTYAXVUWZGLH-CQSZACIVSA-N	320.345	1.542	50	20	DDGD	
CCOC(=O)c1cc(NC=C(C#N)C#N)cc(S(C)(=O)=O)c1	753132611	ICKQFLKVINGIMS-UHFFFAOYSA-N	319.342	1.610	50	20	DDGD	
C[C@H]1C(=NNC(=O)Cc2ccccc2O)CC[C@H]1CC(=O)O	853400834	PFSHTFXMSUPEJU-MNOVXSKESA-N	304.346	1.928	50	20	DDGD	
COC[C@H](C)Oc1ccc(C=NNC(=O)c2cnccn2)cc1	853287433	XFTALQAEHWQVGD-LBPRGKRZSA-N	314.345	1.654	50	20	DDGD	
O=C(Cc1csc2nccn12)NNC(=O)OCC(F)(F)F	856021928	NIBBGJOOXUMLNF-UHFFFAOYSA-N	322.268	1.258	50	20	DDGD	
C=CCCOCCNC(=O)NNC(=O)COc1cccc(C)c1	757003830	QJJGUWMDTJYNGH-UHFFFAOYSA-N	321.377	1.297	50	20	DDGD	
CC(C)N1CC(=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)[C@@H](C)C1	754262025	XTGLIUUPALBTCA-JTQLQIEISA-N	319.365	1.623	50	20	DDGD	
Cc1ccc2nc(C(=O)NNC(=O)NC3CCCCC3)cn2c1	858130543	POJNOXBJPOGKAM-UHFFFAOYSA-N	315.377	1.919	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@](C)(O)C2CC2)c1C	855625820	JSJFNOTUEMQGEP-INIZCTEOSA-N	306.362	1.776	50	20	DDGD	
CN1CCC(CCNC(=O)NNc2ncc(Cl)cn2)CC1	856858094	PVUXUEJRBUIMMA-UHFFFAOYSA-N	312.805	1.488	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@]2(C)CCOC2)cc1	754161186	BUKPUHMWTPQHKR-INIZCTEOSA-N	306.362	1.202	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)c2ccc(C)o2)cc1O	752870398	XVHMVXYULBOEKF-UHFFFAOYSA-N	319.317	1.446	50	20	DDGD	
C[C@@H](C[C@H]1CCOC1)NC(=O)NNC(=O)c1ccc(C#N)cc1	759737740	SFILRWDHNAIETK-WCQYABFASA-N	316.361	1.317	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1c(C)nn(C(C)(C)C)c1C	755764859	UQFRMZLKSACBAV-CYBMUJFWSA-N	324.425	1.757	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNC(=O)OCC(F)(F)F	856021973	PQJVORBITJHFQZ-UHFFFAOYSA-N	314.260	1.286	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)N[C@@H]2CCOC2)cc1	752703377	IPCZTBQSYSZARY-LLVKDONJSA-N	309.391	1.206	50	20	DDGD	
O=C1NCC[C@@]1(C(=O)NNc1ccc(Cl)nn1)C1CCCC1	863879582	WBJVBCGTUVBIJB-CQSZACIVSA-N	323.784	1.270	50	20	DDGD	
CO[C@H](C)c1nsc(NC(=O)NN=c2cc[nH]c(C)c2)n1	861125347	TUIQMSKSIOHOOT-MRVPVSSYSA-N	308.367	1.519	50	20	DDGD	
Cc1sc(NC(=O)NNC(=O)c2cn[nH]c2)nc1C(C)C	861205565	FZLHHBHPLYDTHM-UHFFFAOYSA-N	308.367	1.765	50	20	DDGD	
CCc1nn(C)cc1NC(=O)NNC(=O)c1cc(C)cs1	860874256	UPTNOMHVDMPZND-UHFFFAOYSA-N	307.379	1.819	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNc1ccnc(N(C)C)n1	768712772	UQSXMKMGQYEGPB-OLZOCXBDSA-N	321.425	1.971	50	20	DDGD	
C[C@H]1C[C@@H](NS(=O)(=O)CC(C)(C)CCl)CN1C1CC1	866943576	JLQBHHDZCQGDHM-WDEREUQCSA-N	308.875	1.796	50	20	DDGD	
C[C@H](NNC(=O)/C=C\CN(C)CC(F)(F)F)C(F)(F)F	862320263	HKBCZRBKKJQXMY-AVALRIAPSA-N	307.238	1.608	50	20	DDGD	
N#Cc1cccc(OCC(=O)NNCC(F)(F)C(F)(F)F)c1	863093180	BHHWHXRSVMHESF-UHFFFAOYSA-N	323.221	1.755	50	20	DDGD	
Cn1nnc2cc(C(=O)NNc3nc4ccccc4[nH]3)ccc21	768492589	RNXZKTHQXBJBTI-UHFFFAOYSA-N	307.317	1.602	50	20	DDGD	
C[C@H](CBr)CN1CCO[C@H](c2ccnn2C)C1	933538904	MYRYAQOXHCKQMN-PWSUYJOCSA-N	302.216	1.824	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1cc(F)cc2cccnc12	760235488	PJAGENPKADMCQH-UHFFFAOYSA-N	314.320	1.446	50	20	DDGD	
Cc1ocnc1C(=O)NNC(=O)CSc1ccccc1O	764047401	IJOQMDWXEOEYJA-UHFFFAOYSA-N	307.331	1.242	50	20	DDGD	
O=C(NNc1cccnn1)c1ncc(Br)s1	765500725	YTSBBVCYNXOZLY-UHFFFAOYSA-N	300.141	1.453	50	20	DDGD	
CC(Cc1ccc2c(c1)CCCC2)=NNC(=O)CS(C)(=O)=O	863183566	GKJHZUFDGHFGTF-UHFFFAOYSA-N	322.430	1.645	50	20	DDGD	
CC[C@@H](C)c1ccc(C(=O)NNC(=O)COCCOC)cc1	869910121	NWRDDZGRCHAJGN-GFCCVEGCSA-N	308.378	1.624	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNC(=O)CSc1ccccc1O	764046011	FREHNAZBRQJNRZ-NSHDSACASA-N	312.391	1.447	50	20	DDGD	
Cn1c(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cnc1O	864471567	FKMFGLYOJYIDSL-UHFFFAOYSA-N	318.377	1.103	50	20	DDGD	
COc1ccc2c(c1)[C@@H](C(=O)NNc1nc3ccccn3n1)CC2	762338710	HOBYDYUCLZXTCE-ZDUSSCGKSA-N	323.356	1.911	50	20	DDGD	
Cc1nc(NC2CC2)sc1C(=O)NNc1ncc(F)cn1	760922763	OIFZVAYWVGRETC-UHFFFAOYSA-N	308.342	1.712	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccc(C)o2)cc(OC)c1O	764540338	JGFIDWANUCZYND-UHFFFAOYSA-N	320.301	1.386	50	20	DDGD	
CON(C)C(=O)[C@H](C)NC(=O)NNc1ccc(Cl)c(F)c1	875898524	KMBNMDHSTABBSG-ZETCQYMHSA-N	318.736	1.514	50	20	DDGD	
O=C(NNC(=O)c1nc2ccccc2s1)N[C@@H]1CCOC1	872948527	HGZGCFXVCLWAGN-MRVPVSSYSA-N	306.347	1.029	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NC(C(C)C)C(C)C	770416649	VYRMPEIDFHCIGN-LLVKDONJSA-N	303.403	1.049	50	20	DDGD	
Cc1ccc(/C=C(/C#N)C(=O)OC[C@@H]2CCS(=O)(=O)C2)cc1	778343294	AGYKPMKIMFAKDT-QDECMSLZSA-N	319.382	1.880	50	20	DDGD	
COCCOCC(=O)NN=C1C[C@@H](C)c2c(C)ccc(O)c21	1119010296	HXOFRAKRTUWWKV-LLVKDONJSA-N	306.362	1.691	50	20	DDGD	
COc1ccc(CNC(=O)NN=c2cc[nH]c(C)c2)c(OC)n1	875607838	KCUMLXUXEWLTCQ-UHFFFAOYSA-N	317.349	1.050	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNc1ncc(Cl)cc1Cl	775275992	VEGVKEYVRJFMOO-LURJTMIESA-N	305.165	1.746	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1cnc2ccccc2n1)C(C)C	774755286	ILZVMNABTGKJPD-AWEZNQCLSA-N	301.350	1.234	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)CN2CCCC2)cc1	873804648	IRTSXWBGVWKCBA-UHFFFAOYSA-N	307.419	1.330	50	20	DDGD	
CC[C@@H](C)C(=O)NN=C1C(=O)Nc2c(F)cc([N+](=O)[O-])cc21	774372248	CIHDQKVMARLRSL-ZCFIWIBFSA-N	308.269	1.552	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2ncc(Cl)cc2Cl)c[nH]1	775271291	HLSIYPTZXMMNSJ-UHFFFAOYSA-N	314.132	1.572	50	20	DDGD	
COCc1ccc(S(=O)(=O)NNC(=O)C2CCCC2)cc1	774613260	FAUYUNAWDYTGHM-UHFFFAOYSA-N	312.391	1.333	50	20	DDGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CC[C@@H](n2cncn2)C1	776879568	TZLIDJCVLIJGBI-DIVFHCTNSA-N	310.317	1.998	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)Nc1cc(F)ccc1Cl	1118016047	SLYINOHTWTYCES-UHFFFAOYSA-N	314.748	1.631	50	20	DDGD	
O=C(CCO)NN=C1CCc2ccc(OC(F)(F)F)cc21	1116205767	VQYZNQYCBRORBM-UHFFFAOYSA-N	302.252	1.734	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2CCN(C)C2=O)c1C	776110737	DLOGSIXZVMPKFT-LLVKDONJSA-N	320.418	1.099	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCC(=O)C1CCOCC1	770999197	IJTYKYDPOYVYIX-ZROIWOOFSA-N	315.325	1.838	50	20	DDGD	
CC1(C)CNC[C@@H]1NC(=O)NNc1cc(F)c(F)cc1F	1120578652	GETIVJVJKHAPFK-NSHDSACASA-N	302.300	1.728	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)c[nH]1	778739363	NPISAWUMWWQVJS-UHFFFAOYSA-N	320.312	1.147	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1cccc(-n2ccnn2)c1	775677903	JZGJHIHSVOXZDF-UHFFFAOYSA-N	314.284	1.345	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(NC(C)=O)ccc1F	887141599	AVOJVFNKNCJFLR-UHFFFAOYSA-N	305.309	1.349	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)c2cccnn2)CC1(Cl)Cl	883675188	COHKETAHBMXXRP-JTQLQIEISA-N	318.164	1.005	50	20	DDGD	
COCC1(C(=O)NNc2ccc(F)c(F)c2)CCOCC1	885113828	NWBTWUPBTOSUJQ-UHFFFAOYSA-N	300.305	1.851	50	20	DDGD	
C[C@]1(CNC(=O)N2C[C@H]3[C@@H](O)CC[C@H]3C2)C[C@@H]1Br	889410747	AWOPFFLANXACTL-VGDATSSVSA-N	317.227	1.572	50	20	DDGD	
O=S(=O)(CCCCl)N1CCc2ccccc2[C@@H]1CO	882039720	QQGAHJSCLDVKEH-ZDUSSCGKSA-N	303.811	1.537	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ccc(Cl)nc2)cc1	784871230	IEMRTGOPHMWOQH-UHFFFAOYSA-N	320.736	1.825	50	20	DDGD	
CN(C(=O)NC[C@@]1(C)C[C@@H]1Br)[C@@H]1CCC[C@H]1O	889410953	IVABQENSQTXTSJ-MWGHHZFTSA-N	305.216	1.715	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C/c1ccc[nH]1	782333324	UMSSYCGFGIPUBF-XUIVZRPNSA-N	307.350	1.153	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1ccc(N=c2cc[nH]cc2)cc1	780759894	PQNCDENLJTYZMD-UHFFFAOYSA-N	305.341	1.821	50	20	DDGD	
COC1(CNC(=O)NNc2ccc(C#N)cn2)CCCCC1	888826427	ARTFTIDTWJEREF-UHFFFAOYSA-N	303.366	1.929	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@H]1CCC(=O)c2ccccc21	785956740	VSHSQIFGMRIUJD-ZDUSSCGKSA-N	301.346	1.487	50	20	DDGD	
NC(=O)[C@H]1CCC[C@H](C(=O)NNc2c(F)cc(F)cc2F)C1	885151536	HIWZYHVKQCOZFH-YUMQZZPRSA-N	315.295	1.839	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCO1	783812237	POKYOGWMLJBIGF-GFCCVEGCSA-N	307.306	1.645	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)N1CCOCC1)CCS2	786038487	BNYLZNQTKBYVRG-UHFFFAOYSA-N	321.402	1.937	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CCCC12OCCO2	889508826	OZHJODVNNNXTIA-CYBMUJFWSA-N	319.361	1.235	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC[C@H]1C[C@@H](N)C1)c1ccccc1	892561237	XPXSCKYTHMLROD-YUTCNCBUSA-N	304.394	1.248	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)CCC(C)(C)O)c1C	786663225	NYFGMLQYWKYHMW-CYBMUJFWSA-N	322.405	1.769	50	20	DDGD	
N#C/C(=C/c1ccccc1)C(=O)OCCCN1C(=O)CNC1=O	785363663	LDLCWVFVOMIDRS-LCYFTJDESA-N	313.313	1.079	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1nn(-c2ccccc2)cc1C	785851167	RSAYKMUGTXLVKL-UHFFFAOYSA-N	316.365	1.879	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)Cc2c[nH]c3ccccc23)CO1	784142160	HGOGSQBKVKYCMK-PWSUYJOCSA-N	301.346	1.283	50	20	DDGD	
CC[C@@H](C)[C@H](C)C(=O)OCC(=O)NNC(=O)c1ccccc1	780242672	OBHHHGKWHLCXQB-NEPJUHHUSA-N	306.362	1.673	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1cccc(-c2cnco2)c1	784791413	HNSBTXPVBYSRMB-UHFFFAOYSA-N	323.312	1.818	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC[C@H]2CCCCN21)NC1CCCCC1	899940531	PLBKOHOXKQWLBQ-ZIAGYGMSSA-N	308.426	1.666	50	20	DDGD	
Cn1c(C(=O)NNc2cccc(F)c2[N+](=O)[O-])cccc1=O	791069271	JNQNLJHHLPUQHX-UHFFFAOYSA-N	306.253	1.190	50	20	DDGD	
C[C@@H](Oc1cccc(/C=C(\C#N)S(=O)(=O)N(C)C)c1)C(=O)O	794958356	LTDWMWCRWIHMTI-SEEODLKFSA-N	324.358	1.294	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(C(N)=S)cc2)n1	798330694	DWLCZZSOZCLOOX-UHFFFAOYSA-N	317.374	1.185	50	20	DDGD	
COCC[C@H]1CCCC1=NNC(=O)[C@@H](C)CN1CCOCC1	799873003	ILIBKSGENCZSDE-UONOGXRCSA-N	311.426	1.264	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cccnc1C1CC1	798315582	KWXFWCVQVYYKAZ-UHFFFAOYSA-N	302.256	1.465	50	20	DDGD	
Cn1cc2c(n1)CCC[C@H]2C(=O)NNc1cnnc2ccccc12	799100361	PUMSDJAZNWYOOL-LLVKDONJSA-N	322.372	1.927	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccc(Cl)c(OC)c1)C(=O)OC	790178306	YQKSECPKDZTWEG-VIFPVBQESA-N	300.742	1.991	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1ccc2nc[nH]c2n1	791076239	OAEXZURVZCPGEZ-UHFFFAOYSA-N	316.252	1.762	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H](c1ccccc1C)C(C)(C)C	1319117353	QTDPEFZNSUMNDH-LBPRGKRZSA-N	321.377	1.586	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NNC(=O)c1cncn1-c1ccccc1	1319025470	MYLUOPZZDBMHJR-TZMCWYRMSA-N	314.345	1.058	50	20	DDGD	
CC(=NNC(=O)c1nnc(O)c2ccccc12)c1ccnc(C)n1	1320869609	RUDIPOKWXFMGAD-UHFFFAOYSA-N	322.328	1.588	50	20	DDGD	
CCc1ccc([C@H](NC(=O)NNC(=O)C(=O)OC)C(C)C)cc1	1323432279	LEIIJKOXPWFCGQ-CYBMUJFWSA-N	321.377	1.450	50	20	DDGD	
Nc1cnnc(NNC(=O)NC[C@H]2CCSC2)c1Cl	1322336649	CCAQLEXFCCHHPX-ZCFIWIBFSA-N	302.791	1.091	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCC(C)(C)C1CCCC1	1328134751	MAGWOWDBJLBZSE-YPMHNXCESA-N	311.426	1.958	50	20	DDGD	
CC(C)(C)OC(=O)Nc1ncc(C=NNC(=O)CCO)s1	1321355778	CEUPWYBEYIZJSK-UHFFFAOYSA-N	314.367	1.323	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(C)Cc2ccccc2)n1	1324998790	HPWFDXKXPJNGJD-UHFFFAOYSA-N	312.373	1.283	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)c2cncn2-c2ccccc2)c[nH]1	1320722408	UATXKBGRDNICRR-UHFFFAOYSA-N	320.312	1.147	50	20	DDGD	
CC(=NNC(=O)C[n+]1ccccc1)c1ccc(N)c([N+](=O)[O-])c1	1321332961	VUECEIPFJMEDHN-UHFFFAOYSA-O	314.325	1.005	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc2nc(C)oc2c1	1326177778	QRSYTQUBUBBAKT-QMMMGPOBSA-N	311.363	1.492	50	20	DDGD	
CSCC1CCC(NC(=O)NNC(=O)c2cn[nH]c2)CC1	1329759166	MTRPZRSWIBLYIX-UHFFFAOYSA-N	311.411	1.276	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H](CN)CC(C)C)cc1	1325326737	YKBYKYQCJBNQOB-LBPRGKRZSA-N	308.382	1.013	50	20	DDGD	
Cc1nc2cc(C(=O)NNc3nnc(C)c(O)n3)ccc2o1	1322403853	IXZQITPRAGCISP-UHFFFAOYSA-N	300.278	1.092	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(C(=O)OC)o2)nc1	1323080522	UFQGITMYBABFBJ-UHFFFAOYSA-N	319.273	1.005	50	20	DDGD	
COC(=O)C(=O)NN=C1CCOc2c(C(C)C)ccc(C)c21	1253591539	MVPYNMWWRMBCRL-UHFFFAOYSA-N	304.346	1.894	50	20	DDGD	
CC[C@@H](C)n1nccc1C(=O)NNC(=O)Cc1cccnc1	1338587637	WXDBTYGCWUDEDH-LLVKDONJSA-N	301.350	1.253	50	20	DDGD	
O=C(NN=Cc1ccc(O[C@@H]2CCOC2)cc1)C1CCOCC1	1336993249	WSEFHGALDVBWFI-MRXNPFEDSA-N	318.373	1.731	50	20	DDGD	
Cc1ccnn1CC(=O)NNC(=O)CCCc1ccccc1	1332493944	IVEGBDZOMPOALK-UHFFFAOYSA-N	300.362	1.362	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccccc1-n1ccc(C2CC2)n1	1347037808	VYINCIBMBHVTHN-GFCCVEGCSA-N	314.389	1.707	50	20	DDGD	
C#CC[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccccc1	1345733435	QDSXDMIFDDPCID-YUELXQCFSA-N	315.373	1.506	50	20	DDGD	
CNC(=O)Cc1ccccc1NC(=O)NNc1ncncc1F	1347613688	REWYMHRHLZQHRF-UHFFFAOYSA-N	318.312	1.053	50	20	DDGD	
COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)C1CCC(Cl)CC1	1347220230	FSJLMDFBWWIUJC-MMVSWEMESA-N	303.786	1.309	50	20	DDGD	
CCc1cc(C(=O)NNc2nncc(N)c2Cl)cc(O)n1	1341927560	FCALQHILWICKAU-UHFFFAOYSA-N	308.729	1.132	50	20	DDGD	
COc1nnccc1NC(=O)NNc1ccc(C(=O)O)c(F)c1	1607363603	RZLMXXSQTXPGCY-UHFFFAOYSA-N	321.268	1.471	50	20	DDGD	
CC[C@@H](C(=O)O)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	1609885932	AUGFZMSCVUROBX-SSDOTTSWSA-N	301.686	1.802	50	20	DDGD	
CC1(C)CC(=NNC(=O)C(=O)O)c2cc([N+](=O)[O-])ccc2O1	1609814237	MTSPZTZLORWNRX-UHFFFAOYSA-N	307.262	1.061	50	20	DDGD	
N#CSCCCNS(=O)(=O)c1cc(C(=O)O)cs1	1608190023	AEMKHVPSNRYVAX-UHFFFAOYSA-N	306.390	1.329	50	20	DDGD	
O=C(NNc1cccc(Br)n1)[C@H]1C[C@H]1C(=O)O	1601558786	CMUZAOZNKMAGNW-NTSWFWBYSA-N	300.112	1.008	50	20	DDGD	
CC[C@@H](NNC(=O)[C@H](C)Oc1cccc(Cl)c1)C(=O)O	1605100075	XOHMACWNWBYLLH-GZMMTYOYSA-N	300.742	1.591	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NN=Cc2ccccc2O[C@H](C)C(=O)O)O1	1604444041	WJSAYGUJPMJDLB-WDMOLILDSA-N	320.345	1.556	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(C(=O)O)nc2)cc1F	1607732120	PQWNJGQAMNFQSA-UHFFFAOYSA-N	317.276	1.302	50	20	DDGD	
O=C(CC[C@@H]1C[C@H](C(=O)O)CO1)NNc1cc(F)ccc1F	1601285012	MMVPAHGIKYPBSF-WCBMZHEXSA-N	314.288	1.678	50	20	DDGD	
Cn1cc(C(=O)CCC(=O)NNc2cccc(C(=O)O)c2)cn1	1600927846	HPMVSBSBWJOPFR-UHFFFAOYSA-N	316.317	1.225	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(C(=O)O)c(F)cc1F	1610008485	GUARQIQYUZLDLN-UHFFFAOYSA-N	316.264	1.361	50	20	DDGD	
Nc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)cc1Cl	1549316393	FYGPWEQBAGJVGT-FZMZJTMJSA-N	322.796	1.236	50	20	DDGD	
O=C(NN=Cc1cscc1Cl)[C@H]1CN2CCC[C@H]2CO1	1549320258	YPZUKAVLGGBWMB-CMPLNLGQSA-N	313.810	1.715	50	20	DDGD	
COc1ccc(F)c(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)c1	1549322201	YGLFKDWAWYOQKK-IUODEOHRSA-N	321.352	1.148	50	20	DDGD	
COc1cccc(C[C@@H](N)C(=O)NNc2ccc(Cl)nc2)c1	1579274770	NYQMTDVZHGLRFZ-CYBMUJFWSA-N	320.780	1.757	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C2=CCNCC2)c(C)c1	1579723130	ZVWJULLHBJUPSB-UHFFFAOYSA-N	304.419	1.541	50	20	DDGD	
C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)NNc1cccc(F)c1F	1576907343	MAXCHARYQNIVDR-KWQFWETISA-N	314.336	1.704	50	20	DDGD	
CNC[C@@H](C)C(=O)NNC(=O)c1cc2ccccc2cc1O	1578623501	VIUNOBHNTJQGEI-SNVBAGLBSA-N	301.346	1.162	50	20	DDGD	
CC(C)(C(=O)O)n1cc(NC(=O)NNc2ccc(F)cn2)cn1	1589667017	XIHLINJVMFDOHS-UHFFFAOYSA-N	322.300	1.386	50	20	DDGD	
CCCC(=O)N1CCCC12CN(C(=O)[C@@H](F)Br)C2	1842658070	BURMXZWCKZWKEA-SNVBAGLBSA-N	321.190	1.680	50	20	DDGD	
O=C(C(Cl)Cl)N1CC2(CCCN2C(=O)c2cocn2)C1	1842547283	SHZPRJJQDOUELP-UHFFFAOYSA-N	318.160	1.295	50	20	DDGD	
C[C@H](CCCCN)NC(=O)NNc1ccc(C(=O)O)c(F)c1	1592485572	RXYCCGMBMQMSMF-SECBINFHSA-N	312.345	1.668	50	20	DDGD	
O=C(O)CCCC(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1	1595027904	WTBYBEOZEREHCF-UHFFFAOYSA-N	322.346	1.154	50	20	DDGD	
CCc1ccc(NNC(=O)c2cccc(-c3nn[nH]n3)n2)cc1	1590891765	YRNRIUZXXBAWLJ-UHFFFAOYSA-N	309.333	1.581	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)Nc2cc(C(=O)O)cs2)CCCO1	1593755502	SGNHQPKAPPYRCO-LBPRGKRZSA-N	313.335	1.168	50	20	DDGD	
O=C(O)Cn1cccc1C=NNC(=O)c1ccccc1Cl	1595158231	ICXCODVTHGJKEM-UHFFFAOYSA-N	305.721	1.990	50	20	DDGD	
Cc1c(Br)c(C(=O)N2CC=C(C#N)CC2)nn1C	1772434027	RPTJDALDRLQCKD-UHFFFAOYSA-N	309.167	1.787	50	20	DDGD	
Cn1ncnc1NS(=O)(=O)c1ccc(CCCl)cc1	161644021	HCCJVKBSIZQFKP-UHFFFAOYSA-N	300.771	1.397	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NNc1cnc2ccccc2n1	163435919	LKFSFNHZNIINCI-NEPJUHHUSA-N	316.361	1.657	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccccc1Cc1ccccc1	155525288	JFMOHMBMVWHXFT-UHFFFAOYSA-N	313.357	1.813	50	20	DDGD	
C[C@H](OC1CCCCCC1)C(=O)NNC(=O)c1ccncc1	155094997	GTDVMLCEWFZWRJ-LBPRGKRZSA-N	305.378	1.971	50	20	DDGD	
CC(C)Cn1ncc(C(=O)NNc2cnccn2)c1C1CC1	156916103	OITVVFSJNHUBLK-UHFFFAOYSA-N	300.366	1.963	50	20	DDGD	
O=S(=O)(NC[C@H]1CC[C@H](O)C1)c1ccc(CCCl)cc1	236578716	XLBRCTZVRIZLCC-STQMWFEESA-N	317.838	1.907	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@H]2CN(S(=O)(=O)CCl)C[C@H]2C1	831352836	DEZCAWAEYGHKMB-AOOOYVTPSA-N	324.830	1.311	50	20	DDGD	
C[C@@H](Cl)C(=O)Nc1ccc(N2CCC[C@@H](C(N)=O)C2)nc1	1887504121	GCTKOLQSDMXBMS-NXEZZACHSA-N	310.785	1.349	50	20	DDGD	
O=C(Cc1csc(N2CCOCC2)n1)NN=C1CCCC1	7279388	WAGFYIQTABZCLJ-UHFFFAOYSA-N	308.407	1.568	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](C)CN2CCC[C@H](C)C2)nn1	106334971	BPCYOMLGEXOIFE-WCQYABFASA-N	306.414	1.532	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NNc1nccnc1Cl	172288339	PQCPZIWDEUCBOX-GZMMTYOYSA-N	320.736	1.802	50	20	DDGD	
COC(=O)CCNS(=O)(=O)c1ccc(CCCCl)cc1	171085503	YWAVJSSHLMZVMO-UHFFFAOYSA-N	319.810	1.699	50	20	DDGD	
Cn1nnc2cc(C(=O)NNC(=O)NC3CCCCC3)ccc21	170916280	DSUBCNYCNQLUEM-UHFFFAOYSA-N	316.365	1.245	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc(C)n(C(C)(C)C)n1	110762022	JFZZUAFQCYHNKQ-UHFFFAOYSA-N	304.354	1.053	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1ccc([N+](=O)[O-])cc1	177064171	LXBQPHFUIDWANB-UHFFFAOYSA-N	315.289	1.385	50	20	DDGD	
COc1ccnc(NNC(=O)NCCc2ccc(C)cc2C)n1	65699449	UNOXEFASNIDYTR-UHFFFAOYSA-N	315.377	1.971	50	20	DDGD	
COc1ccc(CNC(=S)NNC(=O)NCC2CC2)cc1	64937212	UYTJUJPWFGQBRA-UHFFFAOYSA-N	308.407	1.284	50	20	DDGD	
CC(=O)NNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1	115707745	XZTQDEBCZNELLA-WCQYABFASA-N	309.753	1.027	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)CCCCc1ccccc1	111202829	UEWUUAJPEVOEOY-CQSZACIVSA-N	305.422	1.887	50	20	DDGD	
COC[C@H]1CCCN(CC(=O)NNC(=O)c2ccc(C)cc2)C1	112988182	LEZACMVOPOGJRK-AWEZNQCLSA-N	319.405	1.114	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(OC[C@H]2CCCO2)cc1	65191204	KKRMQLQNVBJLQX-CYBMUJFWSA-N	307.350	1.208	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)Cc1cccs1	21786631	WWNKJVVXCZHTHD-UHFFFAOYSA-N	304.371	1.907	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCOC1)c1cc2ccccc2cc1O	171289791	LTJWASBBZLHWPI-CYBMUJFWSA-N	314.341	1.733	50	20	DDGD	
CC(=O)c1cccc(OCC(=O)NNC(=O)NC2CCCC2)c1	65918842	IIFZOFMBICXRMY-UHFFFAOYSA-N	319.361	1.541	50	20	DDGD	
Cc1ccc(O)c(C(=O)NNC(=O)Cc2cn3ccccc3n2)c1	173884258	VNQKVRAHQRWPTG-UHFFFAOYSA-N	324.340	1.352	50	20	DDGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)[C@@H]1C[C@@H]1F	1346229780	AWKYIPMZAUSJRR-ZJUUUORDSA-N	302.758	1.938	50	20	DDGD	
CCN(CC)CC(=O)NNC(=O)c1cn(C)c2ccccc12	63681019	DSYUQKKIUINSTR-UHFFFAOYSA-N	302.378	1.281	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cccc(Cl)n2)n1	120320742	FGJAJWXPMCIKCO-UHFFFAOYSA-N	307.741	1.010	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)CCn1cc([N+](=O)[O-])cn1	184380713	GLUVGASXELJSJZ-UHFFFAOYSA-N	307.285	1.772	50	20	DDGD	
CC(C)Cn1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cn1	180698835	DRLUWYGXQQQMHH-SXSSENBOSA-N	302.378	1.741	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccc(-n2cccn2)c(F)c1	123262238	DFIPQNYUUTUWGC-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)[C@H]1CC(=O)N(C2CCCC2)C1	182966001	QBIPBIITLXZIBH-JTQLQIEISA-N	322.796	1.969	50	20	DDGD	
CC[C@@H]1C[C@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)CCO1	182376702	BXHKVNMDQJQLIZ-UKRRQHHQSA-N	319.405	1.719	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)/C=C/c1cccc(F)c1	77163959	WRESIKVEMSKSSW-CMDGGOBGSA-N	321.352	1.291	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccccc1CN1C[C@H](C)O[C@@H](C)C1	181960692	QAVSLNFVYIZWOU-RYUDHWBXSA-N	320.393	1.468	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N(C)C)cc1C	124671841	DFZCNJAJTIACSQ-SNVBAGLBSA-N	320.393	1.193	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1cccc2ccccc12)n1cncn1	74411279	VBRGBQLEIVWEDR-GFCCVEGCSA-N	323.356	1.382	50	20	DDGD	
COC[C@H](C)n1ccc(NC(=O)NNC(=O)c2ccc(C)o2)n1	189809453	HZVBISMSSKVGQS-VIFPVBQESA-N	321.337	1.458	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2cc(Cl)ccn2)CN1C1CC1	181443540	HWKGIDHDKSHQHL-KOLCDFICSA-N	309.801	1.986	50	20	DDGD	
Cc1ccc(CCCC(=O)NNC(=O)Cc2cc[nH]n2)s1	186157809	OIOFBMVTBRMYBS-UHFFFAOYSA-N	306.391	1.492	50	20	DDGD	
COc1ccc(COCCC(=O)NNc2ncccn2)cc1	134567077	OVHJAENLAHVSGY-UHFFFAOYSA-N	302.334	1.535	50	20	DDGD	
C[C@@H]1CC[C@H](CCC(=O)NNC(=O)COc2ccc(F)cc2)O1	75182758	UOGAYEJODAAEBE-BXUZGUMPSA-N	324.352	1.700	50	20	DDGD	
CC(C)(C(=O)NNC(=O)Cc1cc[nH]n1)c1ccc(F)cc1	186112814	SBEWOBIHCGDJSW-UHFFFAOYSA-N	304.325	1.217	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)C[C@H]2CCCO2)c1C	46765043	BSMHVLFNCUAXAM-ZIAGYGMSSA-N	320.389	1.787	50	20	DDGD	
O=C(CSc1cccc(O)c1)NNC(=O)c1ccccc1	130874687	BSFWCSIGYYIUMM-UHFFFAOYSA-N	302.355	1.946	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)[C@@H]1CCCO1	132151409	DMPNHEAAWMNZOU-KBPBESRZSA-N	323.368	1.656	50	20	DDGD	
O=C(NC[C@@H](c1ccco1)N1CCCC1)NNc1ncccn1	43167259	RHKCPKCBULIJLH-LBPRGKRZSA-N	316.365	1.533	50	20	DDGD	
Cn1ccc(C(=O)NNc2ccc(C(F)(F)F)cn2)cc1=O	131632118	XGLGIYOMCHOBTO-UHFFFAOYSA-N	312.251	1.556	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(C#N)[nH]1	133118910	FVBGQTDCENSIJO-SECBINFHSA-N	316.292	1.254	50	20	DDGD	
COc1nccnc1NNC(=O)c1cnn(CCC(C)C)c1C	132149356	RCWKREOJPNKVCT-UHFFFAOYSA-N	318.381	1.793	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2cccc(F)n2)c1	130352608	DREJQTQXTSXSDI-UHFFFAOYSA-N	318.308	1.102	50	20	DDGD	
N#Cc1ccc(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1	194704898	JABNIPLXTPQABY-UHFFFAOYSA-N	324.296	1.470	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C[C@H]2CCCOC2)cc1	195324691	LFRYIYUTJYUDIB-CQSZACIVSA-N	320.389	1.592	50	20	DDGD	
Cc1nn(-c2ccccc2)c(C)c1CC(=O)NNC(=O)N(C)C	194931213	TZHASHKDHRHAOK-UHFFFAOYSA-N	315.377	1.334	50	20	DDGD	
Cc1c(C(=O)NNc2ncccn2)cnn1Cc1ccccc1	192641935	TZGGZBFTDREOEQ-UHFFFAOYSA-N	308.345	1.787	50	20	DDGD	
O=C(NNC(=O)c1cccc(Nc2ncccn2)c1)NC1CC1	143265154	IGUUACHBNFPMBN-UHFFFAOYSA-N	312.333	1.327	50	20	DDGD	
Cc1cc(CC(=O)NN=c2sc3ccccc3n2C)no1	255502710	MAEKTDWYGAQCDT-UHFFFAOYSA-N	302.359	1.711	50	20	DDGD	
CC(=NNC(=O)c1cccnc1)c1cccc(-n2cnnn2)c1	254705005	XBYXPCQETCTUAR-UHFFFAOYSA-N	307.317	1.211	50	20	DDGD	
COc1cc(OC)c(C(=O)NNC(=O)C2CCC2)cc1OC	264789327	RQWDQXCHDJQWIS-UHFFFAOYSA-N	308.334	1.274	50	20	DDGD	
CC(C)C[C@H](C)CC(=O)NNc1nc(O)c2cnn(C)c2n1	269301622	JTNOQEBFIJSOEO-VIFPVBQESA-N	306.370	1.584	50	20	DDGD	
Cc1c(NNC(=O)[C@@H](C)N2CCSCC2)cccc1[N+](=O)[O-]	269647502	AZKCLPKXVUDWPD-LLVKDONJSA-N	324.406	1.784	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)N[C@H](C)CC(C)C	269803910	KEZDEHSHLIHKFT-GFCCVEGCSA-N	323.393	1.839	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)CCC(F)(F)F)c1	266612513	RLOFJTABDIUDFY-UHFFFAOYSA-N	319.283	1.597	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)COCc2ccccc2)O1	268194039	SOHRITJDQUHAKP-ZIAGYGMSSA-N	306.362	1.308	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCCC(=O)OC(C)C)o1	274196225	JMTVJEMSUKSUIT-UHFFFAOYSA-N	311.338	1.264	50	20	DDGD	
CSSCCNC(=O)N[C@@H]1COc2ccccc2[C@@H]1O	368250143	BLYDOIGLSPALJO-PWSUYJOCSA-N	314.432	1.791	50	20	DDGD	
COc1cc(C)sc1C(=O)NNC(=S)NCCSC	271373029	GHLSFMOJFPIHAF-UHFFFAOYSA-N	319.477	1.537	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)C(=O)Nc2c(C)noc2C)c1	275685275	IRNSAVMRPJGICK-UHFFFAOYSA-N	302.334	1.990	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CCCc2sccc21	368203134	SQWGUIAJLJTBRQ-LLVKDONJSA-N	304.375	1.281	50	20	DDGD	
O=C(CCc1ncc[nH]1)NNC(=O)C12CC3CC(CC(C3)C1)C2	279233902	QPOZGTUKKPUCEU-UHFFFAOYSA-N	316.405	1.706	50	20	DDGD	
CSSCCNC(=O)N1C[C@H](C)OC2(CCOCC2)C1	367410665	QWNKDNODNGBOKL-NSHDSACASA-N	320.480	1.977	50	20	DDGD	
Cc1cc2c(cc1C)[C@@H](C(=O)NNc1nccn(C)c1=O)CO2	274587019	IWNWUPFWHWCXMU-LBPRGKRZSA-N	314.345	1.016	50	20	DDGD	
CCOc1ccc(C(=O)NN[C@@H](CC)C(=O)OC)cc1OC	279679922	FDTWFLNCVOLOTE-NSHDSACASA-N	310.350	1.280	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NCc1cccnn1	277832144	IOLCEGRTFOJMCY-UHFFFAOYSA-N	313.361	1.330	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1cnc2ccccc2n1	278267606	REAFPGVHMYVFPE-UHFFFAOYSA-N	317.349	1.599	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2cnn(C)c2C)c1	272690880	VSCNOSBOTCOCMG-UHFFFAOYSA-N	317.349	1.341	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1cccc(C(F)F)c1	276108778	GRSOPXGINVIKNK-UHFFFAOYSA-N	314.292	1.255	50	20	DDGD	
CCOC(=O)c1[nH]ncc1/C=C(\C#N)C(=O)[C@H]1CCCOC1	279976511	DZOJKALDNXLITA-OTXQMUPVSA-N	303.318	1.489	50	20	DDGD	
C[C@@]1(CCCO)CCCN1CC(=O)NNC(=O)c1ccccc1	272221121	GANQZPKACULFAN-KRWDZBQOSA-N	319.405	1.075	50	20	DDGD	
Cc1ccc(C(C)(C)C(=O)NNC(=O)N2CCN(C)CC2)cc1	282883643	JUYXXIXJMRXVEX-UHFFFAOYSA-N	318.421	1.261	50	20	DDGD	
O=C(NNC(=O)N1CC[C@@H]([C@@H]2CCOC2)C1)c1ccccc1	370999873	SWSIOCSGDGTGGA-ZIAGYGMSSA-N	303.362	1.399	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)NNC(=O)Nc2ccccc2C)C1	370567357	FUJKPXKBNICYNE-INIZCTEOSA-N	318.377	1.406	50	20	DDGD	
COC(=O)NNC(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O	372532756	QQBGBILFORBLCC-SNVBAGLBSA-N	311.725	1.080	50	20	DDGD	
O=C(NNC(=O)C1CC(OCc2ccccc2)C1)c1ccc[nH]1	371837162	POSSBZJUNDBDFH-UHFFFAOYSA-N	313.357	1.771	50	20	DDGD	
COC(=O)c1n[nH]cc1NC(=O)[C@H](Br)C(C)(C)C	281604565	OEIXFZZCAKPNDB-QMMMGPOBSA-N	318.171	1.944	50	20	DDGD	
COc1ccccc1C(C)(C)C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	293940148	PBPHHMHWKRBMHK-FZMZJTMJSA-N	320.389	1.688	50	20	DDGD	
Cc1cc(F)cc(S(=O)(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	295212726	PMRVLSWZDXZMLU-CABZTGNLSA-N	316.354	1.011	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccnn1-c1ccccc1	295318347	GKEVVDRGOOFRGK-AWEZNQCLSA-N	314.345	1.202	50	20	DDGD	
O=C(NNc1cccc(F)n1)C(=O)Nc1ccc2c(c1)CCC2	807392884	NFGOKNGUYZAEMH-UHFFFAOYSA-N	314.320	1.791	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccccc2)CC1)[C@@H]1CCCCO1	295285723	DAESFPCYPLSWNQ-AWEZNQCLSA-N	302.374	1.726	50	20	DDGD	
CC1(C)[C@H](NC(=O)NNc2ncc(F)cc2F)[C@@H]2CCO[C@H]21	297142663	HQHSAGKLSPUBQT-JMJZKYOTSA-N	312.320	1.799	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	294607645	ZQTLEBDZAGIIKD-GFCCVEGCSA-N	308.334	1.034	50	20	DDGD	
Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NNC(=O)[C@H](C)O	294265833	GMOZSEIZKNSCLZ-VHSXEESVSA-N	314.769	1.252	50	20	DDGD	
CN1C(=O)CCc2cc(C(=O)NNc3cccc(F)n3)ccc21	804766905	YNJAQACOJBHYMA-UHFFFAOYSA-N	314.320	1.887	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)N=c1cc[nH]cc1	802030442	FBUHQCOOQBHFEB-OCCSQVGLSA-N	320.393	1.642	50	20	DDGD	
COCCN(C)NC(=O)c1cnn(-c2ccccc2OC)c1C	293711027	USCBCARWCMPIOX-UHFFFAOYSA-N	318.377	1.412	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1cc(Cl)cc(C)c1O	807967630	FDSDFTPFBOTPNC-UHFFFAOYSA-N	323.780	1.817	50	20	DDGD	
Nc1nc(C2CCCC2)ncc1C(=O)NNc1ncc(F)cn1	807170161	XRXBSENFCMAQDJ-UHFFFAOYSA-N	317.328	1.402	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CCN2CCCC[C@@H]12	298730567	LNEQEXZXGRZWJU-CABCVRRESA-N	316.405	1.566	50	20	DDGD	
O=C(C[C@@H]1CCCO1)NNC(=O)Nc1ccc2c(c1)OCO2	802102745	CZNZFCCLVSQPJB-JTQLQIEISA-N	307.306	1.137	50	20	DDGD	
O=C(NNc1ccncn1)[C@H]1CCCN1C(=O)c1ccccc1	295550323	TZBDWUJFODNOTG-CYBMUJFWSA-N	311.345	1.225	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1c(C)nn(C(C)C)c1C	814957704	NMPIDPRIYFELJY-UHFFFAOYSA-N	302.382	1.887	50	20	DDGD	
CC(Cn1cccn1)=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1	814766425	JHCCIONQAYWMIC-SNPRPXQTSA-N	321.425	1.121	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cnc(C(C)(C)C)nc1	814865581	UHVHMJXGGKJPDF-NSHDSACASA-N	308.382	1.276	50	20	DDGD	
Cn1cncc1CNC(=O)NNC(=O)c1ccc2ccccc2c1	811860166	IROUMROCYAULLX-UHFFFAOYSA-N	323.356	1.718	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1cn2cc(Cl)ccc2n1	814954590	KPUKQDGCNUPHDQ-UHFFFAOYSA-N	302.725	1.404	50	20	DDGD	
CC[C@H](C=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1	814782557	PDWNRRNHCHYDHE-OCCSQVGLSA-N	308.403	1.717	50	20	DDGD	
CC(=O)N[C@@H]1CCN(C(=O)[C@H](Br)C(C)(C)C)C1	817639790	NKJKQGLSSOTRQW-ZJUUUORDSA-N	305.216	1.533	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](O)c2ccc(Cl)cc2)nc1	813528258	BLPVWCWKMQWBGS-ZDUSSCGKSA-N	307.737	1.920	50	20	DDGD	
Cn1cnc(C(=O)OC[C@]2(C)C[C@H]2Br)cc1=O	1348960421	BHZXNRORNPXRFL-KCJUWKMLSA-N	301.140	1.111	50	20	DDGD	
CN(NC(=O)CCC(=O)c1ccc2c(c1)OCCO2)C1CC1	819640613	BMHDCCMYBRYFCH-UHFFFAOYSA-N	304.346	1.546	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1snnc1C1CC1	810284612	TXZUYMJZTFBTKE-UHFFFAOYSA-N	316.386	1.809	50	20	DDGD	
CCC[C@H](C)C(=O)NCCNC(=O)NNC(=O)C1CCCC1	814324778	UHEZETGIGXNZPE-NSHDSACASA-N	312.414	1.059	50	20	DDGD	
CN1CC[C@@](O)(CNCc2ccc(OCCCCl)cc2)C1	811490960	WRLRUVWSKDEMQU-MRXNPFEDSA-N	312.841	1.851	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNC(=O)c2ccnnc2)cc1	817693201	KHUMCXOORPJJLT-LLVKDONJSA-N	314.345	1.125	50	20	DDGD	
COCCN(C)NC(=O)CCc1nc(-c2ccsc2)no1	816562715	WKDDDMWLLRAUCO-UHFFFAOYSA-N	310.379	1.340	50	20	DDGD	
Cc1nnc(CC(=O)NNc2nc(-c3ccccc3)no2)o1	813448937	UIHAYBPAUNXDSE-UHFFFAOYSA-N	300.278	1.114	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-]	816007029	VPYIAFYEUZUFBM-UHFFFAOYSA-N	308.338	1.565	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=C2COc3ccccc32)cc1	814722339	VLTHBZCCFZBKKO-UHFFFAOYSA-N	307.309	1.850	50	20	DDGD	
CN(NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1	819646272	QIYUZLPAKJGHMN-UHFFFAOYSA-N	315.333	1.734	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NN=Cc2cnc(N)nc2)c1	814991200	ASZYLANSLCQEIM-UHFFFAOYSA-N	320.740	1.876	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1c(Cl)nc(N)n1C	814812651	HIWVOSOOGLUOSR-UHFFFAOYSA-N	321.768	1.357	50	20	DDGD	
N#Cc1ccc(SCC(=O)NNC(=O)C2CCCC2)cc1	728465164	HLVKJYCKJQMXPC-UHFFFAOYSA-N	303.387	1.988	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)NCCc2cccs2)CC1(F)F	817525481	OTTNWPVQGKXJJN-LLVKDONJSA-N	303.334	1.666	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2n[nH]c3c2CCC3)ccc1C	816689582	PAXXJDZTFKJFHS-UHFFFAOYSA-N	314.345	1.750	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@H]1COc2ccccc2O1	726137379	GDRNEXYDSFEKTH-LLVKDONJSA-N	309.391	1.120	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCCOC(=O)C1CC1	819673854	QRXHCSWPICDSIN-SECBINFHSA-N	306.200	1.865	50	20	DDGD	
CCN(CCO)NC(=O)c1sc(C)cc1Br	823889113	ITAIIZAZQVZRKJ-UHFFFAOYSA-N	307.213	1.778	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)c2c[nH]c3ccccc23)CO1	827606234	KYBBGVYQVPVYMK-ZJUUUORDSA-N	302.334	1.289	50	20	DDGD	
CCc1nc(CCNC(=O)NNC(=O)CC(F)(F)F)cs1	726717534	YZZOEPZSGHQGOB-UHFFFAOYSA-N	324.328	1.531	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C	495693601	QICUHLFBJBIAMK-JTQLQIEISA-N	317.386	1.655	50	20	DDGD	
CCNC(=O)NNC(=O)c1csc(Cc2ccc(F)cc2)n1	726939872	VLRSOPJLDUYWCG-UHFFFAOYSA-N	322.365	1.837	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1	823834273	ZKARNEJQADLUNF-HNNXBMFYSA-N	308.378	1.203	50	20	DDGD	
O=C(NNc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)O	821451702	KBFNQOZQWGUKHQ-UHFFFAOYSA-N	317.276	1.606	50	20	DDGD	
CC(C)CN1C[C@@H](C(=O)NN(C)C(=O)OC(C)(C)C)CC1=O	496864194	NMGYXLKVCLISBD-NSHDSACASA-N	313.398	1.389	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2CC1	827266743	DNFDQQLORXGWFV-LZXPERKUSA-N	319.405	1.296	50	20	DDGD	
CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)NN(C)C(=O)OC	495627622	XGIVSZDJEWUWHP-CQSZACIVSA-N	317.386	1.799	50	20	DDGD	
Cn1cccc1C(=O)NN=C1CCS(=O)(=O)c2ccccc21	725845529	BSAKJVNIMPRUNR-UHFFFAOYSA-N	317.370	1.337	50	20	DDGD	
CCN(CCO)NC(=O)c1cccc(Nc2ncccn2)c1	823847235	STWLICBEHFJOHS-UHFFFAOYSA-N	301.350	1.179	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNc1ccnc(Br)c1	495468748	XGHIVEBAFHDARR-LURJTMIESA-N	317.143	1.032	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2cnn(C)c2)c2ccccc2n1	725908186	CSTSMOYMJIEORD-UHFFFAOYSA-N	323.356	1.280	50	20	DDGD	
Cc1cn2ccc(C(=O)NNC(=S)N[C@H](C)C3CC3)cc2n1	824328703	WARQEHVTUWNFAT-SNVBAGLBSA-N	317.418	1.550	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccn(CC(N)=O)n1	490844604	QYYNHUYATQLNBD-YRNVUSSQSA-N	313.292	1.053	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](C)C1CCN(C(=O)OCC)CC1	490907714	ILMOTTVEWVOYTE-POKNLVKOSA-N	323.393	1.804	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cc(-c2ccco2)on1	727865980	JGVZVIDTGVJUPP-UHFFFAOYSA-N	320.374	1.844	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccccc1	827165211	CNPPWPZETDMVJH-KWCYVHTRSA-N	305.378	1.893	50	20	DDGD	
C=CCCNC(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1	820771119	GYVXRRMZAABEFL-UHFFFAOYSA-N	319.369	1.489	50	20	DDGD	
Cc1nnc(CCC(=O)N(C)NC(=O)OCc2ccccc2)o1	824823613	GUKXEUFNRHXVOY-UHFFFAOYSA-N	318.333	1.610	50	20	DDGD	
COc1cc(C)nc(NNC(=O)/C=C\c2cccc(O)c2)n1	492753911	SXRXEYGKZZPUCH-SREVYHEPSA-N	300.318	1.656	50	20	DDGD	
CC[C@@H](C)[C@H](C)N(C(=O)c1ccc(B(O)O)c(F)c1)C1CC1	584940923	BLEFQINTXPMVMF-MNOVXSKESA-N	307.174	1.545	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ncccn2)c1C	735837029	DGUKLOZRGHCLKG-LBPRGKRZSA-N	314.345	1.322	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cnc(-c2ccccc2)[nH]1	736074478	CENCUJNQRRBUJK-UHFFFAOYSA-N	321.340	1.475	50	20	DDGD	
C=CCC1(c2nc(-c3ccc(B(O)O)cc3)no2)CCOCC1	585052282	XKHGMVJRXNIQDS-UHFFFAOYSA-N	314.150	1.041	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cccc(C(F)F)c1	495368199	YSBBZKXISUCNCK-UHFFFAOYSA-N	301.249	1.340	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1c(C)cc(C)nc1C	907195696	KNIVFDYNUVEHAZ-UHFFFAOYSA-N	312.464	1.479	50	20	DDGD	
CC1(C)CCN(C(=O)[C@@]2(C)C[C@H]2Br)CC[S@@]1=O	909222367	WJMFXPITTPVVQN-ZPQPFTAQSA-N	322.268	1.920	50	20	DDGD	
CC(=NNC(=O)COc1cc(C)ccc1C)c1cnn(C)n1	834922464	GRWFHLGUIBDPNZ-UHFFFAOYSA-N	301.350	1.351	50	20	DDGD	
Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(B(O)O)cc1)CCC2	584990557	YSQOHYZPMRZRGD-KRWDZBQOSA-N	309.174	1.482	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1ccc(C(=O)O)cc1	739345912	UCBJINKYXUMAQN-UHFFFAOYSA-N	316.288	1.528	50	20	DDGD	
C[C@H](Oc1ccccc1)[C@@H](C)NCc1ccc(B(O)O)cc1F	585025125	MJZZLQULCRHANP-OLZOCXBDSA-N	317.169	1.451	50	20	DDGD	
CCN(CC)C[C@@H](C)NC(=O)NNc1ncc(F)cc1F	837906745	IQDRNRRHEGDHNP-SECBINFHSA-N	301.341	1.716	50	20	DDGD	
C[C@@H]1CN(C[C@@H](C)C(=O)NN=Cc2ccncc2F)C[C@@H](C)O1	834933837	KMZCMRNVNXMPIG-JHJVBQTASA-N	322.384	1.416	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N2C[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2)c1	836276645	NFYVGDJPYLGPNZ-DARAHFNDSA-N	322.368	1.667	50	20	DDGD	
CN(NC(=O)[C@@H]1CCCN1c1ncccn1)C(=O)OC(C)(C)C	838365163	YPJMBDLXYZNECU-NSHDSACASA-N	321.381	1.344	50	20	DDGD	
CC(F)(F)CCC(=O)NNC(=O)COCc1ccccc1	737637304	UXXAHPDDHZDVSE-UHFFFAOYSA-N	300.305	1.786	50	20	DDGD	
C[C@@H](O)C[C@@H](CNCc1ccccc1B(O)O)c1ccccc1	585028729	PNFFDSNYZIKDTG-PBHICJAKSA-N	313.206	1.011	50	20	DDGD	
COCCN(C)NC(=O)c1c[nH]c2c(F)cc(F)cc2c1=O	837625522	OOZYHKFCAOVUAZ-UHFFFAOYSA-N	311.288	1.029	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1	839536553	REWFBDFDTXARAM-NWDGAFQWSA-N	305.334	1.892	50	20	DDGD	
CCO[C@@H]1COC[C@H]1NC(=O)[C@H](Br)C(C)(C)C	837093378	ZSBBFPQQGZKCAF-BBBLOLIVSA-N	308.216	1.716	50	20	DDGD	
C[C@@H](COCc1ccccc1)NCc1ccc(B(O)O)cc1F	585026672	JMRROIOAMXICRN-ZDUSSCGKSA-N	317.169	1.200	50	20	DDGD	
C[C@H](NCC(=O)NNC(=O)C1CC1)c1cccc(C2CC2)c1	830194882	BYWMAYJRSZFJAK-NSHDSACASA-N	301.390	1.772	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)[C@@H]1COc2ccccc21	733262852	ZXACJKKOXMGFHM-GFCCVEGCSA-N	323.312	1.751	50	20	DDGD	
COc1ccc(CN(CCCO)S(=O)(=O)CCl)cc1	908277527	NUWWLTHPKFHKRR-UHFFFAOYSA-N	307.799	1.406	50	20	DDGD	
C[C@@]1(C(=O)NNc2ccc(C(F)(F)F)nn2)CCCCO1	837499527	UULIQLSFMZNUPZ-NSHDSACASA-N	304.272	1.898	50	20	DDGD	
O=C(NC[C@H]1C[C@H](O)C1)[C@@]12CC[C@@H](C[C@@H]1Br)C2	834760472	KZPLUOKPTRYFIF-CCJOIDDDSA-N	302.212	1.827	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1cn2ccccc2n1)C1CCC1	837451759	XVJMAFSWTDNEBL-LLVKDONJSA-N	300.362	1.460	50	20	DDGD	
Cc1cc(C#N)cc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	831855576	WZMZHMKCKZLIAJ-GWCFXTLKSA-N	302.334	1.444	50	20	DDGD	
CON(C)CCNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	912160330	FLUVJVHDVKAZSL-JBLDHEPKSA-N	305.216	1.550	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)CNc1ccccc1)C(=O)N2	915917897	OFBMYEUQQWHKGE-UHFFFAOYSA-N	324.340	1.580	50	20	DDGD	
CO[C@H](C1CC1)[C@H](C)NC(=O)NNC(=O)CCc1ccccc1	836642210	RMZXIRLGLPITCA-LRDDRELGSA-N	319.405	1.763	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1ccccc1C(=O)O	916361289	WNFUMOSNLLLICH-ZDUSSCGKSA-N	317.389	1.957	50	20	DDGD	
O=C(COc1ccc2ccccc2c1)NNC(=O)c1cc[nH]n1	918689107	PMRLGYHLAOSTGI-UHFFFAOYSA-N	310.313	1.403	50	20	DDGD	
CN1CCC(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)CC1	742242204	QVHJCGXAUBMQSZ-UHFFFAOYSA-N	319.449	1.692	50	20	DDGD	
COc1ccc(CCC(=O)NN=Cc2nccc(OC)n2)cc1	842525214	NUQUFSHNNAWQDR-UHFFFAOYSA-N	314.345	1.577	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1ccccc1F	843654560	GEVNZLSICULRTO-MMPTUQATSA-N	324.352	1.260	50	20	DDGD	
COc1cccc2cc(C=NNC(=O)CN3CCCC3=O)oc12	916357880	PSHKWQBWLWTOBH-UHFFFAOYSA-N	315.329	1.514	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	843658740	GEVLEFJGFBKEAU-ZOWXZIJZSA-N	320.389	1.446	50	20	DDGD	
NC[C@H]1CCN(C(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)C1	846665513	HEEMETYPRUTMKP-SRRSOLGSSA-N	301.228	1.747	50	20	DDGD	
Cc1c(NNC(=O)[C@@H](C)c2cnn(C)c2)cccc1[N+](=O)[O-]	748666715	RGXYAKOMSIGOCZ-VIFPVBQESA-N	303.322	1.884	50	20	DDGD	
CCOCC(=O)NNC(=S)N[C@H]1CCc2ccccc2C1	742999342	RCQHHRJKOQRUHT-ZDUSSCGKSA-N	307.419	1.076	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCCSC(C)(C)C	843662438	RCFJSYWDKJNFLB-GHMZBOCLSA-N	302.440	1.871	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cc(C)c(O)c(C)c2)n1	916343443	YUCXSQOCLBKDHP-UHFFFAOYSA-N	300.362	1.973	50	20	DDGD	
CCC(=NNC(=O)[C@H](C)OCCOC)c1cccc([N+](=O)[O-])c1	748259212	GYSZNHAVQAABLK-NSHDSACASA-N	323.349	1.877	50	20	DDGD	
CCNC(=S)NNC(=O)c1cc(-c2ccc(CC)cc2)[nH]n1	916105281	HBKZCNCFALAXHX-UHFFFAOYSA-N	317.418	1.768	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NC[C@H](C)SC)cc1	845069810	YEKLXEYSICOAGD-JTQLQIEISA-N	311.407	1.780	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)c1ncccn1	841353153	SQLMVOBHQHMHIX-FRRDWIJNSA-N	302.378	1.844	50	20	DDGD	
O=C1C[C@@]2(CCN(S(=O)(=O)CCl)C2)Oc2ccccc21	841564032	ZZGUADFUDNMKHJ-CYBMUJFWSA-N	315.778	1.622	50	20	DDGD	
CC(C)(CO)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	847291637	FGTJTKHZGCZLRG-UHFFFAOYSA-N	305.161	1.773	50	20	DDGD	
O=S(=O)(CBr)N1C[C@@H](O)C[C@@H]1c1ccccc1	841557516	LRSAUJMBRFPMNL-WDEREUQCSA-N	320.208	1.477	50	20	DDGD	
Cc1cc(C)cc(CCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	843660669	KTSNNIOBNYLTIE-HIFRSBDPSA-N	304.390	1.808	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)CNC(=O)c2ccc(O)cc2)c1	749201988	LANLSOLWCATADF-UHFFFAOYSA-N	313.357	1.882	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)C12CC(C(=O)OC)(C1)C2	843847871	MRGYTZBKZHWACI-UHFFFAOYSA-N	318.329	1.260	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1nsc2ccccc12	923029108	CRZMOJNMGXYGBZ-QMMMGPOBSA-N	321.358	1.399	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cn(-c2ccccc2)cn1	844551763	IKZRUROJWKSTQA-AWEZNQCLSA-N	314.345	1.202	50	20	DDGD	
COc1cc(C)nc(NNC(=O)COc2ccccc2OC)n1	746622986	CISULUGJPWDCRT-UHFFFAOYSA-N	318.333	1.324	50	20	DDGD	
NC1(CNC(=O)NNC(=O)c2cccc3ccccc23)CCC1	841966988	KQOLVJKFJFOLNM-UHFFFAOYSA-N	312.373	1.665	50	20	DDGD	
O=C(Cn1cncn1)NNc1ccc(F)cc1Br	748075854	UDGHKJCPRNLROL-UHFFFAOYSA-N	314.118	1.323	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@H]1CC[C@@H]1C(N)=O	848227213	UXVSLXMCYBZGGC-YUMQZZPRSA-N	311.773	1.208	50	20	DDGD	
O=C(NNc1cccc(Cl)c1Cl)N[C@H]1[C@@H]2CNC[C@@H]21	842000287	VTRKQKGIAAPNAF-IIDWOEFGSA-N	301.177	1.837	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)N[C@@H]1Cc2cccc(O)c2C1	759484334	JMZOASIMKGQAHW-LLVKDONJSA-N	305.378	1.626	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(F)cc1Cl)c1ncnn1C	922156966	ROTRYRYMYLSUOM-ZETCQYMHSA-N	312.736	1.995	50	20	DDGD	
COC[C@@H](C)OC(=O)/C(C#N)=C\c1cc(C(F)(F)F)nn1C	853000462	BJVPJQQSSBCDAY-HMXLAXJASA-N	317.267	1.924	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)C(=O)N2CCCC2)C[C@@H]1C	758115490	FEJMODKMRKMCNW-WCQYABFASA-N	323.393	1.080	50	20	DDGD	
CCOc1ccc(C(=O)NN=Cc2cnc(C)n2C)cc1OC	853276013	VBBNJHCXVZRJLX-UHFFFAOYSA-N	316.361	1.900	50	20	DDGD	
C[C@H](CN(C)C(=O)NC[C@]1(C)C[C@H]1Br)C(=O)O	857101094	ROBWAVCKKSOZOK-XLDPMVHQSA-N	307.188	1.522	50	20	DDGD	
CNC(=S)N(C)NC(=O)C(C)(C)c1cc(F)cc(C#N)c1	854920858	JTJCHLZQCBRQIB-UHFFFAOYSA-N	308.382	1.442	50	20	DDGD	
C[C@H]1C[C@H]1c1ccc(C=NNC(=O)CNC(=O)c2ccco2)o1	750936677	LYLQVWGVFDTTLC-CMPLNLGQSA-N	315.329	1.876	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2cccc(OC3CC3)c2F)cn1	853309385	PMNHKSKFTSKIHE-UHFFFAOYSA-N	302.309	1.864	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=C1CCN2CCC[C@H]12	853407123	GSAMAKBEMDSBFC-CYBMUJFWSA-N	308.426	1.269	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C1CCCN(C)CC1	758093576	AFPUVSQAODFTFB-UHFFFAOYSA-N	305.378	1.662	50	20	DDGD	
Cc1c(NNC(=O)c2coc(C(N)=O)c2)cccc1[N+](=O)[O-]	759973562	NIVSFSOQVMYEJQ-UHFFFAOYSA-N	304.262	1.352	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)/C=C(\C)c1ccccc1	854279917	GSVHONLPPAEDPC-OUKQBFOZSA-N	321.446	1.964	50	20	DDGD	
C[C@@H]1C[C@H](O)CN(C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	856960146	LWJAIADITMUPEL-FYLLDIAZSA-N	305.216	1.572	50	20	DDGD	
Cc1cc(Cl)cc2c1OCCC2=NNC(=O)C(=O)NC(C)C	750933865	PIWIBMPAJQIABM-UHFFFAOYSA-N	323.780	1.776	50	20	DDGD	
Cc1ncc(NC(=O)NNC(=O)Cn2ccc3ccccc32)cn1	756373996	YVOJPYZJXJZUOM-UHFFFAOYSA-N	324.344	1.593	50	20	DDGD	
CC(=O)Nc1cccc(NC(=O)NNC(=O)c2c[nH]nc2C)c1	755495886	XTKDOWVUMREVER-UHFFFAOYSA-N	316.321	1.143	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)Cc2occc2C)c1	854201969	YQNHYOIYPOFUMT-UHFFFAOYSA-N	318.329	1.609	50	20	DDGD	
C[C@]1(CNC(=O)N[C@H](CCN)C(F)F)C[C@@H]1Br	857103604	LNESITYOMSLYKO-MATHAZKKSA-N	314.174	1.442	50	20	DDGD	
C[C@](O)(CNC(=O)NC[C@@]1(C)C[C@@H]1Br)C1CC1	856956560	RDWWXDMZCCFMMJ-WCQGTBRESA-N	305.216	1.620	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@]1(C)CCOC1	754347631	WYEXGJVADQDNTM-BMIGLBTASA-N	310.325	1.167	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21	859854237	HAGDVUDYDSSGEM-JQWOWJDXSA-N	316.357	1.061	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@H]2CCCCN(C)C2)n1	858411026	AXWDKFVMBOOWSQ-CYBMUJFWSA-N	319.409	1.066	50	20	DDGD	
CCn1nccc1C=NNC(=O)c1nn(-c2ccccc2)cc1O	753691548	VHAQMSXBRWVYJL-UHFFFAOYSA-N	324.344	1.558	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1cc(C2CCOCC2)nn1C	862978964	XQULBXAJJJBKAL-BENRWUELSA-N	304.350	1.697	50	20	DDGD	
CC[C@H](C)Oc1cccc(NC(=O)C(=O)NNC(=O)C(C)C)c1	763820585	LDMRELPFSIRQTM-NSHDSACASA-N	321.377	1.606	50	20	DDGD	
COc1ccc(C[C@@H](C)C=NNC(=O)[C@H]2CCC(=O)N2)cc1F	863147914	OYNWJSPTIADAEW-ZWNOBZJWSA-N	321.352	1.394	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)N=c1cc[nH]cc1	763478207	KKXVVKNYAQKUHZ-UHFFFAOYSA-N	318.358	1.154	50	20	DDGD	
COCCC(=NNC(=O)c1ccccc1O)C1CCOCC1	764886903	VATQFMIUDGUYKR-UHFFFAOYSA-N	306.362	1.941	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2cc(C#N)cc(Cl)n2)c1[N+](=O)[O-]	768694644	CBEUSRVFKFWNIC-UHFFFAOYSA-N	321.684	1.303	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H]2CCO[C@H](c3ccccc3)O2)cc[nH]1	862513163	AZGSOGUAGCQRBV-WBVHZDCISA-N	313.357	1.759	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C(CC(F)(F)F)c1ccccc1	863188612	YTQMAMFCSRVODW-UHFFFAOYSA-N	322.308	1.504	50	20	DDGD	
O=C(CC1(O)CCCCC1)NNCC(F)(F)C(F)(F)F	863095637	SZDRHEQNJZXQLP-UHFFFAOYSA-N	304.259	1.890	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(CCOc2ccc(B(O)O)cc2)C1	863866092	IETKSWALHXVFMY-UHFFFAOYSA-N	321.182	1.002	50	20	DDGD	
CC(C)Oc1ccc(S(=O)(=O)NCC(Cl)Cl)cn1	867469719	GQCWAYXXXHZLTG-UHFFFAOYSA-N	313.206	1.951	50	20	DDGD	
COCCOc1ncccc1C(=O)NN[C@@H](C)C(F)(F)F	862308968	JYPAUWMBLKUZHT-QMMMGPOBSA-N	307.272	1.292	50	20	DDGD	
COc1ccc(CC(=O)NNc2nc(C)cc(C)n2)cc1O	864690455	POEBCMFFAITVKP-UHFFFAOYSA-N	302.334	1.493	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)c2ccc(OC)cc2)[nH]1	1116195302	AGKIFJTXRABPKH-UHFFFAOYSA-N	301.302	1.574	50	20	DDGD	
N#CC1=CCN(C(=O)COc2ccc3ccc(=O)oc3c2)CC1	767160539	UCSNMHBGNVJTKO-UHFFFAOYSA-N	310.309	1.854	50	20	DDGD	
COc1ccc2c(c1)CC[C@H](C(=O)NNC(=O)c1ccc[nH]1)C2	877983122	GOTSUVNOWROUMS-ZDUSSCGKSA-N	313.357	1.589	50	20	DDGD	
O=C(NCC1CC1)NN=C1CCCC[C@H]1n1ccc([N+](=O)[O-])n1	760255306	ZPMAWBPTMHLAMS-GFCCVEGCSA-N	320.353	1.972	50	20	DDGD	
C[C@@H](CCc1ccc(F)cc1)C(=O)NNc1nccn(C)c1=O	879072692	IVCOZIYBTCJEAY-NSHDSACASA-N	318.352	1.631	50	20	DDGD	
Cc1cn2ccc(C(=O)NNC(=O)NC3CCCCC3)cc2n1	873771592	DXPHNGLYQVTJMJ-UHFFFAOYSA-N	315.377	1.919	50	20	DDGD	
CCC(=NNC(=O)CNC(=O)c1ccco1)c1ccc(C#N)cc1	773054538	KVJJRARHPHLHQX-UHFFFAOYSA-N	324.340	1.812	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ncccn2)c2cccnc12	773723494	ASENETRIISCUPR-UHFFFAOYSA-N	322.328	1.415	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(Br)c(C)cc1C	1117780089	JKSLWRVRBPOKHK-UHFFFAOYSA-N	300.156	1.640	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1cc(Cl)ccn1)C(F)(F)F	778664319	GKMOMPRJDQYCEC-ZETCQYMHSA-N	312.679	1.938	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C(C)c1ccnc(C)n1	1116777471	QENZTJVGZWDTNA-UHFFFAOYSA-N	313.361	1.746	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccc(OC(F)F)cn1	875537520	AOZGEXVIPWGQER-UHFFFAOYSA-N	304.253	1.095	50	20	DDGD	
Cc1cccc(NNC(=O)NCc2cc3c(nc2O)CCC3)n1	875282926	YBKNASSMOZTLNE-UHFFFAOYSA-N	313.361	1.806	50	20	DDGD	
COC(=O)C1CCC(NC(=O)NNc2cccc(C)n2)CC1	875249670	CFEQNEBIUSDBBF-UHFFFAOYSA-N	306.366	1.748	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1ccn(C)n1	873854851	XCBDMUDHGGXLDJ-UHFFFAOYSA-N	317.418	1.922	50	20	DDGD	
C[C@H]1C[C@H](C)CC[C@H]1NCC(=O)NNC(=O)c1cccs1	775678349	PLERHEDTXBAYEY-GRYCIOLGSA-N	309.435	1.923	50	20	DDGD	
CC(C)Oc1cc(NC(=O)NNC(=O)CC(F)(F)F)ccn1	779928203	HBNKMPAEVQYWKR-UHFFFAOYSA-N	320.271	1.974	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)n1	775718064	HUIHUJYDSXTJJC-UHFFFAOYSA-N	318.293	1.850	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)C1CCOCC1)c1ccc(F)cc1	883198943	TVZCUBPSQJZHGP-LLVKDONJSA-N	323.368	1.686	50	20	DDGD	
C=CC[C@@H](C(=O)NNC(=O)C1CCOCC1)c1ccccc1	883068345	QMKMCIJYYXJHRS-OAHLLOKOSA-N	302.374	1.920	50	20	DDGD	
N#Cc1ccc(NNC(=O)N[C@H]2CCOC3(CCC3)C2)nc1	888598683	FMEILCYGFCQZKE-LBPRGKRZSA-N	301.350	1.681	50	20	DDGD	
CC(CCCC(F)(F)F)=NNC(=O)[C@H]1CCS(=O)(=O)C1	774359592	AGAFZZIRLZKZPI-VIFPVBQESA-N	314.329	1.646	50	20	DDGD	
CC[C@H](F)C(=O)NNC(=O)CSc1ccccc1OC	1120625380	DFDLBAGHQUXWQP-VIFPVBQESA-N	300.355	1.683	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)C2CCOCC2)c1C	883066352	SYANWDBACBODOZ-UHFFFAOYSA-N	308.382	1.179	50	20	DDGD	
CO[C@H]1CCC[C@@H]1C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	1120734845	PHXVGNCYLCEUCI-KBPBESRZSA-N	320.393	1.720	50	20	DDGD	
CCCCCCN(C)CC(=O)NNC(=O)c1ccc(C)c(O)c1	882048180	HDCYHTVZABDYPC-UHFFFAOYSA-N	321.421	1.974	50	20	DDGD	
O=C(NNC(=O)c1ncsc1C(F)(F)F)c1cccnc1	788265849	WERFBTWAYFNOQW-UHFFFAOYSA-N	316.264	1.632	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(C(=O)OCC)cc1	887149479	XVUZNQBAPUVSME-UHFFFAOYSA-N	302.330	1.428	50	20	DDGD	
Cc1nc(CC(=O)NNc2ccc(-n3ccnc3)nn2)cs1	788180733	FLAXHXIXXJLOGM-UHFFFAOYSA-N	315.362	1.113	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2ccc(Cl)cn2)n1	786273693	OKZYREUOTNIHHX-UHFFFAOYSA-N	307.741	1.528	50	20	DDGD	
Cc1cnc2c(C(=O)NNCC(F)(F)C(F)(F)F)cnn2c1	899143199	WGHRSPFCWHBUFP-UHFFFAOYSA-N	323.225	1.470	50	20	DDGD	
Cn1ncc(C(=O)NNC(=S)NC(C)(C)C)c1C(F)F	899995525	STPVYDXAYHEWKA-UHFFFAOYSA-N	305.354	1.265	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1C(=O)NNC(=S)NC(C)(C)C	899991890	DMOOSZWPENUUQY-UHFFFAOYSA-N	311.455	1.625	50	20	DDGD	
Cc1nnc2ccc(C(=O)NNc3ncncc3Cl)cn12	781819787	KSQMBHMYZPOROZ-UHFFFAOYSA-N	303.713	1.238	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1nc[nH]c1C(F)(F)F	899998278	IVTQGWNXMCQGIO-UHFFFAOYSA-N	309.317	1.336	50	20	DDGD	
COC(=O)[C@](C)(CO)NCc1ccc(OCCCCl)cc1	894972944	WGRPQCQZGMMJGS-HNNXBMFYSA-N	315.797	1.708	50	20	DDGD	
O=C(Cc1ccn(CC(F)(F)F)n1)NNc1ncccc1F	899071064	OAVAICMVIZVMJY-UHFFFAOYSA-N	317.246	1.665	50	20	DDGD	
Cc1cc(NC(=O)COC(=O)/C(C#N)=C\c2ccccc2)n(C)n1	785347587	ZAZZAPJSLAUBAM-ZROIWOOFSA-N	324.340	1.817	50	20	DDGD	
CSC1(C(=O)NNC(=O)Cn2cnc3ccccc32)CCC1	786640217	OYQOVSZLYMAZAT-UHFFFAOYSA-N	318.402	1.469	50	20	DDGD	
COCC(=NNC(=O)CNc1ccccc1F)C1CCOCC1	780195981	XXBOSYIDGFFDJF-UHFFFAOYSA-N	323.368	1.783	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=O)NC2CCCCC2)C1	899940228	HRDHBPYCYXYFMZ-GXFFZTMASA-N	319.409	1.739	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2c(Cl)cnn2C)ccn1	780225479	OPZFRZJMOGJSCK-UHFFFAOYSA-N	306.757	1.298	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc3[nH]c(C)cc3c2)nn1	783953976	QKOAQPWVLOFQGI-UHFFFAOYSA-N	324.344	1.657	50	20	DDGD	
COC(=O)COc1ccc(/C=C(/C#N)C(N)=C(C#N)C#N)cc1	782178683	FWIYSSVDJKRWJK-SDQBBNPISA-N	308.297	1.405	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1cn(C)c(=O)n1C	892538174	JELWKZFICOATPQ-UHFFFAOYSA-N	305.290	1.468	50	20	DDGD	
CO[C@@H]1CCOC[C@H]1NC(=O)NNc1cc(F)ccc1F	898077831	LMBSETXWYHWQBD-VXGBXAGGSA-N	301.293	1.395	50	20	DDGD	
COC(=O)CCCOC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	783119096	FDOCNZAKTYXAIA-NTUHNPAUSA-N	315.329	1.609	50	20	DDGD	
CO[C@@]1(C(=O)NNc2ncnc3ccsc23)CCSC1	897030372	IIMMEDIYBPPPOC-LBPRGKRZSA-N	310.404	1.657	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1cccc(O)c1O	798310111	JOOHXEYQMPQKBG-UHFFFAOYSA-N	301.302	1.873	50	20	DDGD	
O=C(NNc1cccnc1Cl)C(=O)Nc1cccc(F)n1	793048618	HVDWOPPTIOOADZ-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
Cc1cc[nH]c1C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	797873506	LSJCVWOOSPTKOO-UHFFFAOYSA-N	309.329	1.584	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cc2ccccc2c(=O)o1	797735180	XXSKNFBLZLJMKJ-UHFFFAOYSA-N	323.308	1.192	50	20	DDGD	
COCC[C@@H]1CCCC1=NNC(=O)Cc1cc(O)nc(S)n1	799873157	ATFSSPIEHLHESR-VIFPVBQESA-N	324.406	1.322	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)Nc1nc(C2CCC2)cs1	799447947	BUIOWSQOQUTIEX-UHFFFAOYSA-N	320.378	1.529	50	20	DDGD	
CNc1cc(C(=O)NNC(=S)NC(C)C)cc(Cl)n1	1318590362	RMVMTHCREPBVDU-UHFFFAOYSA-N	301.803	1.294	50	20	DDGD	
CC1CC(C#N)(C(=O)NNC(=O)c2cncn2-c2ccccc2)C1	1319085506	JZDHMMMQDVHTGN-UHFFFAOYSA-N	323.356	1.573	50	20	DDGD	
Cn1cccc1C(=O)NNC(=S)Nc1cccc(F)c1F	1319446808	TWWDAOGDEJVRGR-UHFFFAOYSA-N	310.329	1.935	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNC(=O)c1ccc(OC)cc1	1322751351	BRWUATROQVOGRR-UHFFFAOYSA-N	321.377	1.153	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)c2cc3c(s2)CCC3)co1	1324157549	DDGJSXWREPPBEH-UHFFFAOYSA-N	305.359	1.862	50	20	DDGD	
Nc1cnnc(NNC(=O)NC2CCC(F)(F)CC2)c1Cl	1323111639	LEELGEXSYMIGEI-UHFFFAOYSA-N	320.731	1.916	50	20	DDGD	
C[C@]1(CNC(=O)N2CC(O)(C3CC3)C2)C[C@@H]1Br	1328572667	HDNLKLUXLZCBQW-GXSJLCMTSA-N	303.200	1.326	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1ccc(Br)cc1C	1333642089	FYTGXMRPNQDIIN-UHFFFAOYSA-N	313.151	1.771	50	20	DDGD	
CCCN(NC(=O)[C@H]1C[C@@H](C(=O)OC)C1)C(=O)OC(C)(C)C	1337228590	MDVILXQEWIDSLB-PHIMTYICSA-N	314.382	1.864	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N2CCCCCC2)C[C@@H]1Br	1347965608	PESRFLWPFIWURP-GXFFZTMASA-N	317.227	1.679	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H](c1ccc(F)cc1)C(C)C	1344641478	KOKNBBSLYVAJCI-LLVKDONJSA-N	311.313	1.026	50	20	DDGD	
Cn1cc(C(=O)NNc2cccc(C(=O)O)c2F)c(C2CC2)n1	1600932732	RFVZXFOZSHQTOX-UHFFFAOYSA-N	318.308	1.892	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)c(F)c1)NC1CC(F)(F)C1	1601555297	YRISHDPKHAPRSL-UHFFFAOYSA-N	303.240	1.948	50	20	DDGD	
O=C(Cc1ccc2n[nH]cc2c1)NNc1ncccc1C(=O)O	1605709501	KVROWOOESMULJE-UHFFFAOYSA-N	311.301	1.342	50	20	DDGD	
Cc1ccc(NNC(=O)CN2CCCCCC2=O)cc1C(=O)O	1600462918	RPCJTDQRYRSWEO-UHFFFAOYSA-N	319.361	1.539	50	20	DDGD	
CC(=O)NC1CCC(C(=O)NNc2ccccc2C(=O)O)CC1	1603040954	SEHYMIUTIZSLDB-UHFFFAOYSA-N	319.361	1.523	50	20	DDGD	
CCc1cc(C(=O)NNc2cccc(C(=O)O)c2C)nn1C	1605786115	TVTPJPNFLDFHLF-UHFFFAOYSA-N	302.334	1.746	50	20	DDGD	
CCCC1(CNC(=O)NNc2ccc(-c3nn[nH]n3)cn2)CC1	1604152105	ATJBLKCYIONSLK-UHFFFAOYSA-N	316.369	1.468	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1cc2c(cn1)OCCC2	1605821117	SVIOYBIUQMPTRO-UHFFFAOYSA-N	314.301	1.257	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1cc(C(=O)O)ccc1Cl	1610102354	KOAVCOYDRREJKT-UXBLZVDNSA-N	314.750	1.794	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)[C@@H](CC)NC)cc1OC	1577583440	QTGWRATXAHEBIP-GFCCVEGCSA-N	323.393	1.243	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)C[C@H](N)C(F)F)c1	1578420321	GRIUUNPTHODDFK-JTQLQIEISA-N	315.324	1.206	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1ccccc1-n1ccnn1	1574579361	ZNRGPUJCCHBAKW-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@@H](CN)CC(C)C)c1	1578877833	LQIBNINUNFASDD-LBPRGKRZSA-N	307.394	1.927	50	20	DDGD	
O=C(NNc1cc(F)cc(Cl)c1)N[C@H]1C[C@@H](C(=O)O)C1	1574578685	KXFBYXOASPRHBP-KZCWHLCOSA-N	301.705	1.968	50	20	DDGD	
O=C(NNC(=O)[C@@]12CCC[C@@H]1NCC2)c1cc2c(s1)CCC2	1580736624	ZTSJTZKFZZOIOK-XJKSGUPXSA-N	319.430	1.530	50	20	DDGD	
C/C(=C\C(=O)NNc1cccc(C(=O)O)c1F)c1cnccn1	1588942334	HSFVZRULLDWXBS-VQHVLOKHSA-N	316.292	1.861	50	20	DDGD	
CC1(C)CCC[C@@](O)(C(=O)NNc2ncccc2C(=O)O)C1	1589224037	HRBGZPXNZCSRSB-HNNXBMFYSA-N	307.350	1.554	50	20	DDGD	
COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)C1(C)CC1)C2	1846361265	HVPSIASBIGNHQJ-NSHDSACASA-N	314.813	1.244	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@@H]1CN1CC(Oc2ccc(-c3nn[nH]n3)cc2)C1	1590169135	ORLBOOSWIUPNCN-FZZIBODNSA-N	319.796	1.803	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1sccc1Cl	1593163987	QNCVSFXBCHLBTK-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1sccc1F	1593163828	KBRSMXGDFKPUMB-UHFFFAOYSA-N	305.298	1.219	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NN=Cc2ccccc2OCC(=O)O)O1	1599906734	HGRFBZSLUJKJRN-GWCFXTLKSA-N	306.318	1.168	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)cc(C)n1	1591930441	WPMQZBQMOMYVRF-UHFFFAOYSA-N	310.321	1.030	50	20	DDGD	
Cc1cc(C=NNC(=O)CCN2CCC(C)CC2)[nH]c1C(=O)O	1776024734	RGLKRKOUQBWYTB-UHFFFAOYSA-N	320.393	1.593	50	20	DDGD	
NC(=O)NN=Cc1cccc(O[C@@H](C(=O)O)c2ccccc2)c1	1776033038	QXQUINAJGUFPAX-CQSZACIVSA-N	313.313	1.894	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccc(C(=O)O)c(O)c2)n1	1776026216	HKPIMZCRWRZDFU-UHFFFAOYSA-N	316.317	1.054	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc[nH]n1)[C@H](F)Cl	1793737720	HKUWXVFICHMYDB-DKIAZLNASA-N	314.748	1.196	50	20	DDGD	
Cc1cc(C)c(OCC(=O)NNC(=O)c2ccncc2)c(C)c1	15273632	XRJOUHPWOZHXOZ-UHFFFAOYSA-N	313.357	1.847	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2cc[nH]c(=O)c2)c1C	161620464	QZMPERLQQOXXSM-UHFFFAOYSA-N	316.386	1.623	50	20	DDGD	
Cc1nc(Cl)ccc1C(=O)NNC(=O)CNc1ccccc1	161724219	UCASYUBZBXRMQH-UHFFFAOYSA-N	318.764	1.917	50	20	DDGD	
COc1ccccc1CCC(=O)NNC(=O)c1cc(C)n[nH]1	153018919	SLFWNSCSJBCTHN-UHFFFAOYSA-N	302.334	1.121	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)NCCCc2ccccc2)cc1	155226841	KEWJGTVITAIFFM-UHFFFAOYSA-N	322.368	1.750	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H](C)Cc2c(C)noc2C)nc1	157362450	ROZSBMRXOBHUIM-VIFPVBQESA-N	319.365	1.952	50	20	DDGD	
CN(C[C@@H](O)Cn1cccn1)NC(=O)OCc1ccccc1	859387664	FZXVYMPKDRZZJJ-CQSZACIVSA-N	304.350	1.017	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1C[C@H](CNS(=O)(=O)CCl)C1	867787349	KKZNSAOUNMYVCA-KYZUINATSA-N	312.819	1.405	50	20	DDGD	
CC(C)NC(=S)NNC(=O)COc1ccc2c(c1)CCC2	6448256	DSCINMSGEXFTIS-UHFFFAOYSA-N	307.419	1.458	50	20	DDGD	
Cc1ccc(NNC(=O)NCCCCN2CCC(C)CC2)nn1	106263749	UMFZIQKTALNSJG-UHFFFAOYSA-N	320.441	1.923	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1cccc(Cl)c1Cl	106452253	DBNYWEFPQBBSMW-UHFFFAOYSA-N	313.144	1.720	50	20	DDGD	
C=C(C)CN1CCC(NC(=O)NNc2ccc(Cl)nn2)CC1	106275343	BLHUXVMXXJYKHZ-UHFFFAOYSA-N	324.816	1.797	50	20	DDGD	
CN1CCC(CN(C)C(=O)NNC(=O)c2ccccc2)CC1	103507945	QRJCTUAEOZWBCR-UHFFFAOYSA-N	304.394	1.315	50	20	DDGD	
O=C(NNc1ccccc1F)[C@H]1CC[C@@H](C(F)(F)F)NC1=O	178895103	ZWHVBXWJTSRVEZ-XVKPBYJWSA-N	319.258	1.726	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCCSc2ccccc2)cn1	117955456	DXTOKAIDRZEMEE-UHFFFAOYSA-N	319.390	1.156	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cccc(O)c1	24660576	BGRQJINZOQDDSA-JTQLQIEISA-N	318.304	1.760	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)Cc1ccc2c(c1)CCC2	170929798	UOFYGRJAYXCRTG-UHFFFAOYSA-N	323.396	1.977	50	20	DDGD	
O=C(CC[C@H]1Cc2ccccc2NC1=O)NNC(=O)C1CC1	29509378	NLFLHIODGIMYES-LBPRGKRZSA-N	301.346	1.135	50	20	DDGD	
O=C(NNC(=O)c1cnc(-c2ccco2)s1)c1ccncc1	171520129	SCSLJGLXDAHZKO-UHFFFAOYSA-N	314.326	1.873	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)[C@H]1Cc2cc(F)ccc2O1	173703619	XHGLAFQACSVVTP-SNVBAGLBSA-N	308.700	1.716	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1csc(C2CC2)n1	179545945	MFAISVHTGFVDJE-UHFFFAOYSA-N	316.477	1.492	50	20	DDGD	
CC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cc2ccccc2o1	177728577	NDLDIQRAGSBIGO-LBPRGKRZSA-N	315.329	1.205	50	20	DDGD	
C[C@@H](CN1CCCCC1)NC(=O)NNc1cncc(Cl)n1	127475040	NWGXYXABCAYRRC-JTQLQIEISA-N	312.805	1.631	50	20	DDGD	
Cc1occc1C(=O)NNC(=O)Cc1nc2ccccc2n1C	61485210	YCDKKXZWPSZBCS-UHFFFAOYSA-N	312.329	1.478	50	20	DDGD	
Cc1c(CNC(=O)NNC(=O)CCc2ccccc2)cnn1C	121997970	IZNOFZATIVSOND-UHFFFAOYSA-N	315.377	1.192	50	20	DDGD	
C[C@@H](CCC(=O)NNc1ccc(C(N)=O)nn1)c1ccccc1	124090598	KGOFKEBWVZAYSI-NSHDSACASA-N	313.361	1.603	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2(Cc3ccccc3F)CC2)[nH]n1	188683922	ARYXCTTWQWHSHS-UHFFFAOYSA-N	316.336	1.641	50	20	DDGD	
CC[C@H](C)[C@@H](C)NC(=O)NNC(=O)COCc1ccccc1	124555358	RGRULNRRBUPKOU-QWHCGFSZSA-N	307.394	1.968	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H](c1ccccc1)C1CC1	127493167	KNAUIAJQJSQAPJ-CQSZACIVSA-N	305.378	1.547	50	20	DDGD	
CC(C)[C@]1(C)C[C@@H]1C(=O)NNc1nccc(N2CCOCC2)n1	185761066	BSDIWCOMCMCEKU-WBMJQRKESA-N	319.409	1.439	50	20	DDGD	
CCNC(=O)c1ccc(NC(=O)NNC(=O)[C@H](C)CC)cc1	184090559	VOGOPSHBLLERLE-SNVBAGLBSA-N	306.366	1.635	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@H](C)C1CC1	186059780	HEWILXBAPHZEKH-SECBINFHSA-N	312.391	1.588	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1cccnn1)N1C[C@@H](C)O[C@H](C)C1	77035666	RFYPVTINNSZQBH-BZPMIXESSA-N	307.398	1.054	50	20	DDGD	
Cc1cnc([C@H](C)NCC(=O)NNC(=O)c2ccccc2)s1	184994696	SXGLYEDQYQUDRS-NSHDSACASA-N	318.402	1.563	50	20	DDGD	
CCOCC(=O)NNc1ccc([N+](=O)[O-])cc1Br	189259404	BLQIWHWFPPXXIG-UHFFFAOYSA-N	318.127	1.837	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccc(C)n2C)c(C)c1	78771220	VQTYHOQWNVUPEJ-UHFFFAOYSA-N	314.389	1.823	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)cc1)NNc1ccnc(F)c1	183356315	ZJEQCWDPXZORJJ-UHFFFAOYSA-N	306.272	1.233	50	20	DDGD	
N#Cc1ccccc1/C=C/C(=O)NNC(=O)Cc1ccncc1	81027482	XSNKMOJVOXSFJS-AATRIKPKSA-N	306.325	1.357	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(Br)c(F)c1	49412101	MGXXOJNYVRGFHO-UHFFFAOYSA-N	305.103	1.979	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)C(=O)NNC(=O)CCc1ccccc1	132243652	FJVQSLOKHIADGN-NSHDSACASA-N	314.389	1.910	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(F)cc1)NC1CCCC1	49419600	MBQAGTCPDYHHSG-UHFFFAOYSA-N	301.343	1.261	50	20	DDGD	
CC(C)CN1CC[C@H](CNC(=O)NNC(=O)CC(C)(C)C)C1	134017735	ZMQMMWQPLAAFPI-CYBMUJFWSA-N	312.458	1.731	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2cc[nH]n2)cc1	48016917	CDKYGNKBRSINEA-SNVBAGLBSA-N	318.333	1.037	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NC[C@H]1CCCOC1	195166294	OFHFJIKBKYOMSZ-CQSZACIVSA-N	305.378	1.376	50	20	DDGD	
C=CCSCCNC(=O)NNC(=O)Cc1ccc(F)cc1	194634771	AYNBBBDJDWPAKY-UHFFFAOYSA-N	311.382	1.618	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncccn1)c1cccc([N+](=O)[O-])c1	194558378	LMASQXXIKKHMJA-SECBINFHSA-N	302.294	1.772	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)nc1)C(=O)Nc1ccccc1	194553080	IGUQJPARIGAQJP-UHFFFAOYSA-N	318.720	1.135	50	20	DDGD	
COCc1nocc1C(=O)NNc1ncnc2ccsc12	1347490450	HIGDYSQVBJQFAU-UHFFFAOYSA-N	305.319	1.583	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccnc1)c1cccc(O)c1	254607559	PVGRNNVQJSYDEN-UHFFFAOYSA-N	312.329	1.057	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](C)CO[C@@H]1CCOC1	267915543	DEAFTYOLFHTNHS-CHWSQXEVSA-N	321.377	1.133	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2ncccn2)C12CCCC2	266838158	WBIPPDITTVVXFS-NWDGAFQWSA-N	305.382	1.841	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNc1ccc(OC)cc1	267005437	MHPQYGJNORUGON-CQSZACIVSA-N	305.378	1.929	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@]12CCc1ccccc12)c1ccccn1	266526238	DJHIGINJHWYIOD-RDTXWAMCSA-N	307.353	1.747	50	20	DDGD	
COC(=O)C[C@H](NC=C(C#N)C#N)c1ccc(OC)cc1OC	271061214	WXGDBUDQVBFPKF-AWEZNQCLSA-N	315.329	1.829	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)NC1CC1	274291941	COAAGHIRXJWYCN-BDAKNGLRSA-N	313.279	1.700	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)/C=C/c1ccco1	273239110	MVEMAUKQXXSWQP-QROSGCPLSA-N	323.349	1.353	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H](C)c2nnc(C)s2)n1	273657564	JQAUBOUYASFQEO-QMMMGPOBSA-N	307.383	1.641	50	20	DDGD	
CCCN1C(=O)CCc2cc(NC(=O)NNC(=O)OC)ccc21	271560228	MMEPLLJKNXXHPH-UHFFFAOYSA-N	320.349	1.768	50	20	DDGD	
Cc1ncc2n1CC[C@H](C(=O)NNC(=O)CC1CCCC1)C2	289784113	LLGJNWKFMWKBQH-ZDUSSCGKSA-N	304.394	1.482	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CC[C@](C(=O)OC)(C(F)(F)F)C1	286470235	TVBZHYZYLNOJQA-CRALRDPISA-N	320.267	1.384	50	20	DDGD	
COCC1(C(=O)NNC(=O)COc2ccccc2OC)CCC1	283840841	BNVHXBURSSVXJH-UHFFFAOYSA-N	322.361	1.038	50	20	DDGD	
CC(C)NC(=O)NC1(C(=O)NNc2ccncc2)CCCCC1	280447998	ZIEKTGDRHKUKCD-UHFFFAOYSA-N	319.409	1.935	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNc1nc(-c2ccncc2)no1	370041381	FAWOQGVTKZULHC-GXSJLCMTSA-N	305.338	1.636	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NNc1nc(C)cc(OC)n1	281727562	FRCMAJKCDKPRRP-AAEUAGOBSA-N	321.381	1.401	50	20	DDGD	
CSSCCNC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1	376953081	MXLCRSSUJOSBAG-NEPJUHHUSA-N	319.496	1.238	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1ccc(OC(C)C)c(C)c1	288922160	LXJIZXCAZQGLBY-UHFFFAOYSA-N	316.379	1.674	50	20	DDGD	
COCCCONC(=O)NNC(=O)CCCc1ccccc1	287998009	LCRVJRSHOQEYKH-UHFFFAOYSA-N	309.366	1.308	50	20	DDGD	
O=C(NC[C@@H]1CCC(F)(F)C1)NNC(=O)c1ccccc1O	280521032	GGHVPTKURWPMQO-SECBINFHSA-N	313.304	1.772	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)NCC(F)(F)F)c(C2CC2)n1	281324395	SXMAOOPTYRTALH-UHFFFAOYSA-N	317.271	1.169	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)OCCO2	282622533	RUMBCECBKBDQTC-RBZYPMLTSA-N	320.345	1.032	50	20	DDGD	
O=C(NNc1ncncc1F)c1cccnc1N1CCCCC1	294102985	RUSTZTIBYPHBTL-UHFFFAOYSA-N	316.340	1.758	50	20	DDGD	
CNC(=O)NCCC(=O)NNc1cc(Cl)ccc1Cl	293374190	MKNFFHBROFQLIZ-UHFFFAOYSA-N	305.165	1.756	50	20	DDGD	
C[C@@H](CO[C@H]1CCOC1)NC(=O)NNc1ncc(F)cc1F	298124305	ZMHIYEBKIPLUGP-WPRPVWTQSA-N	316.308	1.180	50	20	DDGD	
COC(=O)NNC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C(C)C	298296700	IKFWRQUCHOOSKF-LBPRGKRZSA-N	307.350	1.137	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCn2ccnc2C)cc1	297799652	WBNLXLVTYGRSFM-UHFFFAOYSA-N	303.366	1.917	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cc(F)cc2nn[nH]c12	800546705	LXUUIUYEYJTUGG-UHFFFAOYSA-N	307.676	1.297	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CCC(C)(C)[N+](=O)[O-])n1	294893005	IRTJKYRIJHMAHJ-UHFFFAOYSA-N	301.734	1.717	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)c1ncoc1C1CC1	292962805	ALSOGMCROCFYFQ-UHFFFAOYSA-N	317.301	1.098	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCc2cc(F)ccc21	801593321	YWQGCOFUXTVIRG-NSHDSACASA-N	307.369	1.770	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1c[nH]c(C(N)=O)c1	805380132	DFTRIQXRLCJJGB-UHFFFAOYSA-N	303.278	1.087	50	20	DDGD	
Cc1nc(C)c(CCC(=O)NNc2cccc(F)n2)c(O)n1	807748507	JRWCEHPONLTVBG-UHFFFAOYSA-N	305.313	1.409	50	20	DDGD	
C[C@H]1CCCCN1CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	298654359	FXVJKSFXCPYKKL-NSHDSACASA-N	320.349	1.230	50	20	DDGD	
CCCNC(=O)/C(C#N)=C\c1ccc(OCCC(=O)O)cc1	298652284	OPSJYAVKRWMGJZ-RAXLEYEMSA-N	302.330	1.973	50	20	DDGD	
Cc1cn2ccnc(C(=O)NNc3nccnc3C3CCC3)c2n1	805459126	HPMKXYDQTNISOG-UHFFFAOYSA-N	323.360	1.852	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1c(F)cccc1SC	807425833	CXCILNXQIIHCSP-UHFFFAOYSA-N	315.370	1.415	50	20	DDGD	
O=C(NCc1ccc(C2CCC2)cc1)NNC(=O)[C@@H]1CCCO1	292569275	IPDJNYOFAROWOC-HNNXBMFYSA-N	317.389	1.964	50	20	DDGD	
CNc1ccc(C(=O)NNc2ncnc3ccsc23)cn1	802765660	ZCBVHKMJODJRDD-UHFFFAOYSA-N	300.347	1.885	50	20	DDGD	
Cc1nnc(CCNC(=O)/C(C#N)=C/c2ccc(F)cc2)n1C	803173740	QQTIOCYUOSBDQW-UKTHLTGXSA-N	313.336	1.529	50	20	DDGD	
COc1cc(C(C)=NNC(=O)CNc2ccccc2OC)on1	814712082	IIQXYUWGYGAVRX-UHFFFAOYSA-N	318.333	1.644	50	20	DDGD	
CCN(CC(=O)NNc1ccc(C)c(C(=O)OC)c1)C1CC1	816689293	BKHVRPPPTKGEDV-UHFFFAOYSA-N	305.378	1.709	50	20	DDGD	
Cn1c(N)nc(Cl)c1C=NNC(=O)CNc1ccccc1F	814713867	ZKDXNJIDBPDRCI-UHFFFAOYSA-N	324.747	1.357	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNC(=O)C2CCCC2)cc1	810098162	RHCMARINYLUTIU-UHFFFAOYSA-N	304.346	1.815	50	20	DDGD	
N#Cc1ccc2c(c1)C(=NNC(=O)CNC(=O)c1ccco1)CC2	811640329	RGRFUQIHSIMUBF-UHFFFAOYSA-N	322.324	1.348	50	20	DDGD	
COC(=O)[C@@H]1[C@H]2CN(C(=O)/C(C#N)=C/c3ccc(F)cc3)C[C@H]21	816959784	VFVHOIWKQCENSR-IPHKBYPLSA-N	314.316	1.610	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)NCC1CC1)[C@H]1OCCc2sccc21	814627191	VRKVPQKIEHWAGX-NOZJJQNGSA-N	323.418	1.738	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@H](CCO)CC1	817297423	QJATUUXVCLAKIK-KBPBESRZSA-N	313.442	1.053	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNC(=O)CC2CC2)nc1C	819136537	ZUEAPRASWQHDKG-UHFFFAOYSA-N	305.334	1.128	50	20	DDGD	
COc1cc(C=NNC(=O)Cc2cc[nH]n2)c2c(c1)C[C@H](C)O2	814955871	BAQFBSBYGZDHDR-JTQLQIEISA-N	314.345	1.435	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H](C)CC(=O)O)c1	825636748	SFEYHUZILWLGHT-SECBINFHSA-N	305.359	1.096	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)OC(C)(C)C)[C@H]1CCCO1	495012577	PLGNXVPMJVYDHK-GFCCVEGCSA-N	313.398	1.962	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCc1nccn1C	728753921	ZLEAZMPOEFPFKL-UHFFFAOYSA-N	302.338	1.264	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNc1cnc2ccccc2n1)C(C)C	821953712	BOXZTRUEADWDLZ-AWEZNQCLSA-N	316.361	1.908	50	20	DDGD	
CN1CCCC[C@H](C(=O)NNc2cc(C#N)cc(Cl)n2)C1=O	821473939	BLCGFIZRYCQLBN-SNVBAGLBSA-N	321.768	1.308	50	20	DDGD	
C/C=C/C=C/C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	492323018	UGVBVXQGWIYOOG-SBIWHPGTSA-N	311.382	1.571	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)c1cc(-c2nn[nH]n2)cs1	820069242	XXWQJIKPLBDKMY-UHFFFAOYSA-N	308.367	1.125	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CN(C)CC(C)(C)C)cc1	824189574	JXFXKGCPGAPHAS-UHFFFAOYSA-N	321.421	1.823	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cccc(Nc2ccc(C)nn2)c1	495763084	PYZZNSPKXARYTA-UHFFFAOYSA-N	315.333	1.872	50	20	DDGD	
CC(C)(O)[C@@H](Oc1ccccc1)C(=O)NNC(=O)C1CCCC1	821754825	STTHPQJXKLEYAA-AWEZNQCLSA-N	320.389	1.543	50	20	DDGD	
C=Cc1ccc(CCNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	826841597	WWASWXNKSWWKKO-SWLSCSKDSA-N	317.389	1.628	50	20	DDGD	
CC[C@@H]1CCCN1C(=O)NNC(=O)c1c(C)nc2ccccn12	728944852	MOVOGQPPNWJRCA-GFCCVEGCSA-N	315.377	1.872	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O	490975746	PRMJNKWTBWETDM-IWMPZKFUSA-N	317.320	1.491	50	20	DDGD	
C[C@@H]1CCC[C@H]2CCCN(C(=O)c3cccc(B(O)O)c3)[C@H]21	584934639	ULSQTEDKLDCGGP-WWGRRREGSA-N	301.195	1.407	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCCCC[C@H]1c1ccco1	584950118	PRXAKOYQAQVFIS-HNNXBMFYSA-N	313.162	1.717	50	20	DDGD	
O=C(NNC(=S)NCCc1cccnc1)NC1CCCCC1	727691483	XWAJFMBKDMRBGW-UHFFFAOYSA-N	321.450	1.635	50	20	DDGD	
CCN(C)C[C@@H]1CCN(C(=O)[C@@]2(C)C[C@@H]2Br)C1	906848337	WHVUHNLXKCHDIE-GVXVVHGQSA-N	303.244	1.960	50	20	DDGD	
NC(=O)NCCCCCC(=O)NNc1ccc(F)c(F)c1	900712157	MPYYHDRSLIIAML-UHFFFAOYSA-N	300.309	1.637	50	20	DDGD	
COc1ccccc1-n1ncc(C(=O)NN(C)[C@@H](C)CO)c1C	823928530	OQZDCRAPGPYBTP-NSHDSACASA-N	318.377	1.147	50	20	DDGD	
CC[C@H](O)[C@@H](C)C(=O)NNC(=O)CSc1ccccc1O	901257733	HKLIVXBVKAYEQO-ZJUUUORDSA-N	312.391	1.039	50	20	DDGD	
C#CCN1CCC(C(=O)NNc2nccnc2C(C)C)CC1	491730259	OMSAWKJHNWQBKW-UHFFFAOYSA-N	301.394	1.388	50	20	DDGD	
CCOC(=O)COc1ccc(NC(=O)NN(C)C2CC2)cc1	824283778	CCFLTWDZPNMSLT-UHFFFAOYSA-N	307.350	1.759	50	20	DDGD	
CC(C)(C)OC(=O)N(CCC(=O)NNc1ccncn1)C1CC1	496064647	KCULFLJWTBRVLD-UHFFFAOYSA-N	321.381	1.709	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1	496067999	NVUZPKOBPZVORH-UHFFFAOYSA-N	305.212	1.031	50	20	DDGD	
O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CC[C@@H](B(O)O)C1	585068839	IKRWKQPUZJTFBZ-SNVBAGLBSA-N	319.557	1.419	50	20	DDGD	
COC(=O)c1cc(NNC(=O)Cn2nc(C)cc2C)ccc1F	837034192	IYVSINZJOOGUJP-UHFFFAOYSA-N	320.324	1.569	50	20	DDGD	
O=C(NNc1ncccc1Cl)Nc1nc2n(n1)CCCC2	836776279	PZWWGORGNPTUSX-UHFFFAOYSA-N	307.745	1.811	50	20	DDGD	
Cc1ccccc1[C@@H](NC(=O)c1ccc(B(O)O)cc1)C1CC1	584946138	YDNWFGFJWJXKQF-KRWDZBQOSA-N	309.174	1.556	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)C1(C(=O)NC2CC2)CC1	730288829	YGTQSWDGDJQJCE-UHFFFAOYSA-N	310.357	1.159	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(S)n1)c1cccc(C)c1	730586989	SJUQOBWRNAGEPE-UHFFFAOYSA-N	316.386	1.862	50	20	DDGD	
Cc1csc2c1CN(C(=O)c1ccc(B(O)O)c(F)c1)CC2	584972212	QEHLOBVDOAOLBZ-UHFFFAOYSA-N	319.166	1.074	50	20	DDGD	
C[C@H](CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)C(C)(C)C	734673308	FLGALRMQOHPBIT-MFKMUULPSA-N	305.444	1.050	50	20	DDGD	
C[C@]1(C(=O)N2CCC[C@H](S(C)(=O)=O)C2)C[C@@H]1Br	907396713	SYBJYLWUGUIWMF-QXEWZRGKSA-N	324.240	1.196	50	20	DDGD	
Cn1nnc2cc(C(=O)NNc3cnnc4ccccc34)ccc21	733811305	IRVZIMHMUURJKN-UHFFFAOYSA-N	319.328	1.668	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CCCc1ccc2nc(O)[nH]c2c1	730208641	MJODTBLFQIPWGZ-UHFFFAOYSA-N	318.377	1.785	50	20	DDGD	
COc1ccccc1C(=O)NN[C@@H](C(=O)O)c1ccccc1F	832589850	VCAZGWQPHHONLJ-CQSZACIVSA-N	318.304	1.895	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NC[C@H]2CCCC(C)(C)C2)cn1	836661073	JQNXCNIEKMRTTF-NSHDSACASA-N	307.398	1.581	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H](C)C1CCC1	837317029	PBXHOLOLUUCUQA-JTQLQIEISA-N	300.362	1.840	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=C(C)c1cnccn1	734747377	ZVAWZXFCEGRYMD-UHFFFAOYSA-N	322.372	1.929	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1	730576708	UXJYULMQMAUTNF-CYBMUJFWSA-N	324.402	1.360	50	20	DDGD	
COc1cc(C)cc2c1OCCC2=NNC(=O)c1c[nH]nc1C	735410760	VGKMZXRASLKVLX-UHFFFAOYSA-N	314.345	1.952	50	20	DDGD	
CC[C@@H](O)[C@H](C)C(=O)NNc1cccc(Br)n1	909545332	DGEKQWIMPKWSHJ-JGVFFNPUSA-N	302.172	1.694	50	20	DDGD	
CC1(C)OCC(C)(C(=O)NNc2ncc(F)cc2F)CO1	837209210	XFQSICVOVCVERI-UHFFFAOYSA-N	301.293	1.592	50	20	DDGD	
COCC1(CNC(=O)NNC(=O)Cc2ccncc2)CCCC1	836660656	YLGOLRRRCNYEOX-UHFFFAOYSA-N	320.393	1.161	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)C#CC(C)(C)C)cc1	838376056	ZIQLZNLVRSDNFJ-UHFFFAOYSA-N	316.357	1.349	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc(OC(F)F)cn1	833242685	MJGLWWYPEZHASB-SNVBAGLBSA-N	315.276	1.013	50	20	DDGD	
CC(=NNC(=O)c1ccc(-n2cnnn2)cc1)c1nccs1	732622834	XLBROAQVEKLERZ-UHFFFAOYSA-N	313.346	1.273	50	20	DDGD	
O=C(COc1ccc(Br)cc1)NN=Cc1ncc[nH]1	731149206	NZZZSFHFDMZCDQ-UHFFFAOYSA-N	323.150	1.701	50	20	DDGD	
C[C@@H]([C@H]1Cc2ccccc21)N(C)C(=O)c1cccc(B(O)O)c1	585008661	LHHDRTRANXXIBV-YVEFUNNKSA-N	309.174	1.167	50	20	DDGD	
C[C@@H](CBr)CN1CCC[C@]2(CCS(=O)(=O)C2)C1	831915092	DHGJGRKQSXQDPW-RYUDHWBXSA-N	324.284	1.918	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc(C(N)=S)cc1	918690581	YUDUQTDCSIGOAR-UHFFFAOYSA-N	310.448	1.228	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)CCl)c2ccccc2N(C)C1=O	830691218	SVGOXFAZSSBUDD-SECBINFHSA-N	302.783	1.632	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)c2cnccn2)c(OC)c1	916665164	ZRAXWSNPWPFQPA-UHFFFAOYSA-N	300.318	1.648	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)ccc1F	837689753	CTYKETFPJVNOIU-GDPRMGEGSA-N	320.320	1.671	50	20	DDGD	
CC(C)C(=O)NN=Cc1cccc(C=NNC(=O)C(C)C)c1	916327371	JNSGAVRLQQEHIE-UHFFFAOYSA-N	302.378	1.899	50	20	DDGD	
CO[C@@H]1COCC[C@H]1CNC(=O)[C@@H](Br)C(C)(C)C	836814903	MSUHDVNCFJOBCY-HBNTYKKESA-N	322.243	1.964	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNc1ccc(C(F)(F)F)cn1	839729555	XDEHSSLEOXPVEV-SECBINFHSA-N	318.299	1.691	50	20	DDGD	
COc1ccnc(NNC(=O)C2CN(C3CCCCC3)C2)n1	837337279	MQYDBVUYXGMGJI-UHFFFAOYSA-N	305.382	1.193	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(S[C@@H]2CCOC2=O)cc1	910159947	CYUQTPRLFQSGIA-GXFFZTMASA-N	324.402	1.052	50	20	DDGD	
COc1cc(C=NNC(=O)CN(C)C)c(SC)cc1OC	741163843	YQBQJXUGTCQVFK-UHFFFAOYSA-N	311.407	1.437	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(F)cc1F)[C@@H](C)S(C)(=O)=O	841409889	XKEMYDFUAJIGQJ-JGVFFNPUSA-N	306.334	1.477	50	20	DDGD	
O=C(CCCOc1ccccc1F)NNC(=O)c1cccnc1	918278633	DRQRBUSLTYDFPB-UHFFFAOYSA-N	317.320	1.841	50	20	DDGD	
Cn1ncc2c1CCC[C@@H]2NC(=O)NNC(=O)C1CCCC1	916604950	RAYVZAQMMXHYCN-LBPRGKRZSA-N	305.382	1.318	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1CCCN2CCCC[C@@H]12	848402167	WUFGDGHKBZDNTI-ZBFHGGJFSA-N	322.453	1.075	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)c1ccc(C#N)cc1)C(C)C	745848250	FNYVINDEHMEUNK-CYBMUJFWSA-N	304.350	1.173	50	20	DDGD	
O=C(NCC(F)(F)F)NN=Cc1ccc(O)c([N+](=O)[O-])c1	917553247	GTIUDEMHQHWHGD-UHFFFAOYSA-N	306.200	1.496	50	20	DDGD	
CCCC[C@H](CN)NC(=O)NNC(=O)Nc1ccc(OC)cc1	841958466	IACHIELFOBCFTQ-GFCCVEGCSA-N	323.397	1.548	50	20	DDGD	
CCN(CCc1cccs1)CC(=O)NNC(=O)C(C)(C)C	744394256	FODBPDVXVYKCIG-UHFFFAOYSA-N	311.451	1.806	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)C)o1	843819637	YDXMCNYADULVIS-LBPRGKRZSA-N	324.377	1.963	50	20	DDGD	
C[C@]1(C(=O)Nc2ccc(CO)c(CO)c2)C[C@H]1Br	912603531	TVFPIZOKJXZNKU-YPMHNXCESA-N	314.179	1.783	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C[C@@H](C)c1cccc(F)c1	843652110	QWYKWFPRTLAQRB-UHIISALHSA-N	308.353	1.892	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCCCN1C1CCCC1	843970483	GOKDTWMAXPCTML-CFVMTHIKSA-N	323.437	1.356	50	20	DDGD	
CCC(CC)(CO)C(=O)NNC(=O)Cc1ccccc1OC	848099943	DYRANRSICGVDFG-UHFFFAOYSA-N	308.378	1.184	50	20	DDGD	
CC[C@@H](C(=O)NNc1cccc(Br)n1)[C@@H](C)O	842264659	BIBDLXPFQDJYHP-HTQZYQBOSA-N	302.172	1.694	50	20	DDGD	
COc1cccc(OC)c1C(=O)NNC(=S)NC(C)(C)C	841481547	GJTJQDINVCTUCP-UHFFFAOYSA-N	311.407	1.611	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccnc(Oc2ccccc2)c1	910166308	UVZSHJIKALABRL-GFCCVEGCSA-N	301.346	1.831	50	20	DDGD	
CN(C)CC(=O)NN=C1CCCCc2ccc([N+](=O)[O-])cc21	841627692	ZPSGWCRABOVCHL-UHFFFAOYSA-N	304.350	1.703	50	20	DDGD	
O=C1O[C@@H](C(=O)NNc2ccc(Cl)nc2)Cc2ccccc21	743818343	UEKPBFUWNJFLDE-GFCCVEGCSA-N	317.732	1.960	50	20	DDGD	
N#CC(C#N)=CNc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1	741650205	YLVTUZZICOSMHU-LBPRGKRZSA-N	317.374	1.463	50	20	DDGD	
O=C1C[C@@H](Cc2ccc(C(=O)NNc3ccccc3)cc2)C(=O)N1	743298281	VNIMRRPGQZLBPT-CQSZACIVSA-N	323.352	1.649	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=S)NCC1CC1	849252306	BJGPCAVRGIWZBV-SECBINFHSA-N	311.382	1.498	50	20	DDGD	
CSC[C@@H](C)C(=O)NNc1ncc(Br)cn1	848321112	JAKYPHGYFUJVAG-ZCFIWIBFSA-N	305.201	1.681	50	20	DDGD	
CC(C)[C@@H](NC1CCOCC1)C(=O)NNC(=O)OC(C)(C)C	743289428	UFKXEPLPDQNXIA-GFCCVEGCSA-N	315.414	1.336	50	20	DDGD	
CC(C)C[C@H](C)n1nccc1NC(=O)NNC(=O)CCCN	841187516	XAXXDBALQYJQPE-NSHDSACASA-N	310.402	1.382	50	20	DDGD	
COc1ccc(-c2cc(C(=O)NNC(=O)NC(C)C)n[nH]2)cc1	915878990	JHUYXPGUEVNQBP-UHFFFAOYSA-N	317.349	1.438	50	20	DDGD	
C=CCCC(=NNC(=O)Cc1cc(O)nc(S)n1)C1CC1	747750746	DRMVXSKNRAIEFL-UHFFFAOYSA-N	306.391	1.862	50	20	DDGD	
Cn1c(NNC(=O)c2cnn3c2OCCC3)nc2ccccc21	848380931	XNTUJJMSYMECOW-UHFFFAOYSA-N	312.333	1.309	50	20	DDGD	
CNCc1ccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	841330630	SOXLZXMMFBMFTJ-ZDUSSCGKSA-N	306.366	1.128	50	20	DDGD	
CCCOc1cccc(C=NNC(=O)CN2CCCC2=O)c1	917539299	BYGOTUNNKNVGBY-UHFFFAOYSA-N	303.362	1.548	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CC(F)(F)F)oc2c1C(=O)CCC2	918365989	ISVFONAWYJQUMR-UHFFFAOYSA-N	318.251	1.820	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)CCCc1ccccc1)C(=O)O	848586251	TWQNDAKANZEBKT-LLVKDONJSA-N	307.350	1.060	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)Cc1cccnc1)[C@H]1CC1(C)C	841578791	XBXYKTPRZOEJTI-OLZOCXBDSA-N	304.394	1.779	50	20	DDGD	
CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)NNC(=O)c1ncccn1	841591030	SSRMYNPZJLOZKL-QWRGUYRKSA-N	305.382	1.635	50	20	DDGD	
CCC(=O)Nc1cccc(C(=O)NNC(=O)CC(F)(F)F)c1	918366937	GOIGTTNVNXQYCQ-UHFFFAOYSA-N	317.267	1.749	50	20	DDGD	
CCC1(CC)CN(C(=O)NNC(=O)c2ncccn2)CCS1	841591786	GSBALRWUXGAHPW-UHFFFAOYSA-N	323.422	1.439	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCC1(N)CCC1)c1ccccc1	841969296	JNEBVSCIZCWVJL-CYBMUJFWSA-N	304.394	1.392	50	20	DDGD	
CCCC[C@H](CN)NC(=O)NNC(=O)COCc1ccccc1	841958552	JHPVRLWEQAANIS-CQSZACIVSA-N	322.409	1.051	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@H]1CCc2ncncc2C1	843539115	CFZGGKFTEZIXRL-AWEZNQCLSA-N	324.384	1.362	50	20	DDGD	
Cc1cc(C)n(CCCC(=O)NNC(=S)NC(C)(C)C)n1	929429961	UMDPZQPXVSCJCC-UHFFFAOYSA-N	311.455	1.574	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1cc(C)c(C(=O)OC)o1	853004886	WTYHFPZKCRISJF-DHZHZOJOSA-N	306.318	1.434	50	20	DDGD	
COc1cc(CCC(=O)NNc2ccc([N+](=O)[O-])cc2C)on1	854457825	QOVONCREZUFRBT-UHFFFAOYSA-N	320.305	1.976	50	20	DDGD	
COc1ccc(CN(C)CC(=O)NNC(=O)C(C)(C)C)cc1O	750044965	DIOTYXFXUWIDLM-UHFFFAOYSA-N	323.393	1.026	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C1CN(C2CC2)C[C@@H]1C	755879991	NSJIKDUBVODRPU-LBPRGKRZSA-N	317.389	1.660	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc2cc[nH]c2c1	854279825	KHMAMIBYWBSVCE-UHFFFAOYSA-N	320.418	1.656	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNc2cc(C(F)(F)F)ccn2)C1	858981729	LHYMMXYWXNEDSB-KYZUINATSA-N	304.272	1.904	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc(C(=O)NC)c1C	755655523	DEYQIWZPLRTPEF-SECBINFHSA-N	306.366	1.553	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2ccccn2)c2[nH]ncc12	756525253	NNBKLBLUMCNVIS-UHFFFAOYSA-N	310.317	1.733	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)N1CC[C@H]2C[C@H]2C1	852068086	LQPSNOSCAXLFRS-KBPBESRZSA-N	312.373	1.724	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C	859302684	CGCQODZSKMTPAN-ZHPDPMBESA-N	306.362	1.516	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)OCC(F)(F)F)c(C)c1	856021873	UVGLHXZIUZEZSL-UHFFFAOYSA-N	306.240	1.937	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ncn(Cc2ccccc2)n1	756236805	BREKUOKZSCQGCQ-NSHDSACASA-N	316.365	1.525	50	20	DDGD	
CCCC1(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CCC1	759109668	UUUDCOKVPGZLQI-AWEZNQCLSA-N	318.373	1.944	50	20	DDGD	
CCN(CC)C(=O)CS[C@H](C)C(=O)NNC(=O)CC(C)C	751804667	RZLGBARNWLXBOH-LLVKDONJSA-N	317.455	1.170	50	20	DDGD	
Cc1cc(C)cc(OCCC(=O)NNC(=O)c2cc[nH]n2)c1	855359332	NQRXFROEYFBCPK-UHFFFAOYSA-N	302.334	1.257	50	20	DDGD	
COc1ccc(C)cc1C=NNC(=O)C(=O)Nc1ccccn1	758379536	CCPCVCOAYLWLPK-UHFFFAOYSA-N	312.329	1.487	50	20	DDGD	
O=C(NNC(=O)c1cnc2n1CCCCC2)c1ccccc1F	856729551	ZFAGHXQOIWWKJC-UHFFFAOYSA-N	316.336	1.823	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cn(C)nc2C(F)(F)F)o1	752779219	GIRMQDWYVNPVLR-UHFFFAOYSA-N	316.239	1.415	50	20	DDGD	
CC(C)(NC(=O)C(F)(F)F)C(=O)NNc1ccc(Cl)cn1	856091318	KLFVAWZCWRZOBF-UHFFFAOYSA-N	324.690	1.635	50	20	DDGD	
C[C@@H]1CN(C[C@@H](C)C(=O)NN=C2CCCN(C)CC2)C[C@@H](C)O1	758100699	XUJPSZWQXJXNDJ-RBSFLKMASA-N	324.469	1.320	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NNc2ccc(Cl)nn2)C1	857860198	SBWHLKFMTLLTSF-APPZFPTMSA-N	306.757	1.662	50	20	DDGD	
Cc1cc(CCC(=O)NNC(=O)Cc2ccc(Cl)cc2)no1	929332149	DSXWCQVIPRPSTJ-UHFFFAOYSA-N	321.764	1.959	50	20	DDGD	
COCCCNC(=O)NN=Cc1cc(OC)cc2c1O[C@H](C)C2	755668208	KDVDRNCBKPPOEC-LLVKDONJSA-N	321.377	1.688	50	20	DDGD	
COC1CCC(NC(=O)NNC(=O)c2cccc(F)n2)CC1	852378442	NZYCLLQCOIDNKW-UHFFFAOYSA-N	310.329	1.122	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)C1CCCC1)c1cccc(C#N)c1	751446941	SAJNFYARECYUJU-AWEZNQCLSA-N	301.346	1.583	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cccc(F)c1OC(F)F	853283681	ZJLDOCZXQLTXPH-UHFFFAOYSA-N	317.267	1.402	50	20	DDGD	
Cn1ccc(CNC(=O)NC[C@]2(C)C[C@H]2Br)c1	856838813	LWGXWWUNXVPWQQ-PWSUYJOCSA-N	300.200	1.998	50	20	DDGD	
CCOc1cccc(CC(=O)NNC(=S)N[C@@H](C)C2CC2)n1	855096484	BSMQVUJIVZGARJ-JTQLQIEISA-N	322.434	1.317	50	20	DDGD	
CO[C@H](C=NNC(=O)c1cccc(C(=O)O)c1)[C@H]1CCOC1	853424854	AHPHHTBBSWHJDP-QWHCGFSZSA-N	306.318	1.152	50	20	DDGD	
O=C(CSCc1ccccn1)NNC(=S)NCC1CCC1	855091696	AAXCHWVAAXZSQP-UHFFFAOYSA-N	324.475	1.610	50	20	DDGD	
C[C@@]1(CNC(=O)N2CCc3c[nH]nc3C2)C[C@H]1Br	856953614	MGHJVIGNKZSANH-PWSUYJOCSA-N	313.199	1.651	50	20	DDGD	
COCCCS(=O)(=O)NC[C@@]1(C)C[C@H]1Br	856755315	UKNNAJYRHDCVQK-RKDXNWHRSA-N	300.218	1.116	50	20	DDGD	
C[C@H](C[S@](C)=O)NC(=O)NNc1cc(F)cc(Cl)c1	853981690	MRLJYODAZITPQO-XJZHNMMOSA-N	307.778	1.872	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@@]1(C(=O)O)CCOC1	852958159	FKLMJOIQELZMRT-CPCISQLKSA-N	308.172	1.156	50	20	DDGD	
Cc1ccc2occ(CC(=O)NNC(=O)[C@H]3CCO[C@H]3C)c2c1	862095791	OYGQDUZMNSOHCJ-AAEUAGOBSA-N	316.357	1.856	50	20	DDGD	
CC(C)c1n[nH]c(CNS(=O)(=O)CC(C)(C)CCl)n1	867329726	KOYWQPOIGPLAJO-UHFFFAOYSA-N	308.835	1.613	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](O)[C@@H](C)c2ccccc2F)nc1	867644664	WCWDEYOQKZWTKQ-ZUZCIYMTSA-N	319.336	1.837	50	20	DDGD	
CCCOc1cccnc1C(=O)NNc1ccnc(N(C)C)n1	760837425	GOEHBRYYBWXDAY-UHFFFAOYSA-N	316.365	1.483	50	20	DDGD	
C[C@H](CCc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	869068219	OBEVIPYIICQYQG-JMSVASOKSA-N	322.380	1.967	50	20	DDGD	
O=C(CN1CSCC1=O)NNc1cccc(F)c1Cl	862505840	DNRCRZKCHWBMGH-UHFFFAOYSA-N	303.746	1.455	50	20	DDGD	
CON(C)C(=O)[C@H](C)NC(=O)/C(C#N)=C/c1ccc(F)cc1	863624633	KNGFBEXFWSWINP-MJWAUXSNSA-N	305.309	1.257	50	20	DDGD	
O=S(=O)(CCl)NCCc1ccccc1N1CCOCC1	867597869	YLAOHTYLBPMAQC-UHFFFAOYSA-N	318.826	1.181	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCN2C(=O)CC[C@H]2C1	768370087	SJZNVNZHXBVNAA-GXSJLCMTSA-N	317.227	1.629	50	20	DDGD	
CO[C@@]1(CNC(=O)NNc2cccc([N+](=O)[O-])c2C)CCOC1	764808934	IMWLDCHJXVHYIJ-CQSZACIVSA-N	324.337	1.335	50	20	DDGD	
C[C@@H]1CCN(C(=O)[C@H](Br)C(C)(C)C)[C@H](C(N)=O)C1	779305717	RAZPWKPUDWAXNS-UTLUCORTSA-N	319.243	1.908	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NC2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c1	769199357	FDXLHSRZMLGITM-CDGCEXEKSA-N	310.357	1.547	50	20	DDGD	
Cc1cc(=NNC(=O)c2ccccc2N2CCOCC2)cc[nH]1	862510782	STVOVWZXLLWABM-UHFFFAOYSA-N	312.373	1.405	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@H](O)CCc2ccccc2)cc1	764931929	YQIQXKFWFZONEF-MRXNPFEDSA-N	323.352	1.313	50	20	DDGD	
Nc1nc(Cl)ccc1C(=O)NNCC(F)(F)C(F)(F)F	863099763	OZGMCWZUIRMLJX-UHFFFAOYSA-N	318.633	1.749	50	20	DDGD	
N#CC1=CCN(C(=O)CNC(=O)c2cc3ccccc3[nH]2)CC1	767178823	XSBJOQLMBQXPEM-UHFFFAOYSA-N	308.341	1.580	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCCOc2ccccc21	761692700	OAUIIUOLMOFUAF-ZDUSSCGKSA-N	319.405	1.858	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC[S@](=O)CC1(C)C	867148156	NQZPLOLSAZCVMT-KRWDZBQOSA-N	315.888	1.424	50	20	DDGD	
Cc1ccc2c(c1)S[C@@H](C(=O)NNC(=O)c1c[nH]nc1C)C2	1116084984	LXJZQQGASBVJQQ-CYBMUJFWSA-N	316.386	1.505	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H](C)C2CCC2)cn1	874955133	JCIBGJKQTRVLBE-VIFPVBQESA-N	308.407	1.844	50	20	DDGD	
COc1ccc(C(=O)C(=O)NNc2ncccn2)cc1Cl	760834832	UONILKQKXDTIFA-UHFFFAOYSA-N	306.709	1.465	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2cccc([N+](=O)[O-])c2O)n1	779374366	MGXQVRLKLUNLRX-UHFFFAOYSA-N	324.684	1.083	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1cccc([N+](=O)[O-])c1)[C@H]1CCCO1	776228503	QKFKDXKJEXMEQW-CHWSQXEVSA-N	304.306	1.402	50	20	DDGD	
Cc1c(C(=O)NNc2ccnc(Br)c2)cnn1C	771561407	OGNWUPXCMWNVMY-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H](Cc1ccccc1)N(C)C	875001788	MBBUHZIZDYDDHJ-ZDUSSCGKSA-N	308.382	1.072	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)Cc2ccccc2F)c(C)c1	779907122	PMUJCXHTAVEAMN-UHFFFAOYSA-N	301.321	1.841	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C(C)(C)c1ccccc1C	772064843	QVJALFFXRSKCHK-LBPRGKRZSA-N	320.389	1.762	50	20	DDGD	
COC(C)(C)CCNC(=O)NNc1ccc2c(=O)[nH]ccc2c1	876075846	HXPPQELDMHSEJT-UHFFFAOYSA-N	318.377	1.969	50	20	DDGD	
C[C@H](C[S@](C)=O)NC(=O)NNc1cccc(F)c1Cl	875485949	SWSRQTMAOKOXIT-XJZHNMMOSA-N	307.778	1.872	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@H]1C=NNC(=O)[C@H]1CCOC1	872369709	NPQSVOSTPWGANX-RWMBFGLXSA-N	306.366	1.119	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H]2COc3c(C)cccc3C2)cc[nH]1	875608339	OKHGSQKTWRZOMW-HNNXBMFYSA-N	312.373	1.750	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1COc2cc(C)c(C)cc21	770223111	LVLKNQBEMMXNAH-CYBMUJFWSA-N	305.378	1.910	50	20	DDGD	
Cc1cc(=NNC(=O)NC2CCN(CC(C)C)CC2)cc[nH]1	875042138	LWPDZYKVOYMZJU-UHFFFAOYSA-N	305.426	1.558	50	20	DDGD	
CCOC(=O)[C@@H]1CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C1	884734717	HPPSHHMUSBLHTJ-CKXDQPNJSA-N	314.341	1.711	50	20	DDGD	
C=C(CN(C)C)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	773951991	GVWAHUKNSXNWMX-UHFFFAOYSA-N	321.768	1.951	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)/C=C\c1cccs1	771892233	XMEMYOTUWAZOEG-ZADCQDASSA-N	324.402	1.887	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNc1ncncc1Cl	781806153	VVKGJTZZXUZFCY-UHFFFAOYSA-N	311.754	1.065	50	20	DDGD	
CCO[C@H]1C[C@@](O)(CNS(=O)(=O)CCCCl)C1(C)C	882117504	IMGWKNJFSCLXIR-CMPLNLGQSA-N	313.847	1.101	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1c(O)cccc1F	884402068	JYVSCNWAMACFLF-LLVKDONJSA-N	323.368	1.340	50	20	DDGD	
CCc1ccc([C@H](C)CC(=O)NNC(=O)c2cccnn2)cc1	882058264	MVGSYCIAURQFKH-GFCCVEGCSA-N	312.373	1.994	50	20	DDGD	
O=S(=O)(CCCCl)N[C@H](CCO)Cc1ccccc1	882156861	LDOWWHWIXCTBCO-CYBMUJFWSA-N	305.827	1.528	50	20	DDGD	
CN(C)[C@@H]1Cc2ccccc2N(S(=O)(=O)CCCCl)C1	881877308	RVKOWPOMKNQSJH-CYBMUJFWSA-N	316.854	1.938	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)Cc2cnn(CC)c2)n1	781948874	LLKWPMVMJLVGQL-UHFFFAOYSA-N	317.397	1.225	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCC(=O)Nc1sccc1C#N	786676055	NTARHALJYLBJMZ-VZUCSPMQSA-N	301.327	1.961	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCOC(F)(F)F)cc1	788840916	LEHRHPZBJCXWGG-UHFFFAOYSA-N	319.283	1.729	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ncncc2Cl)cn1	781833225	HHDQVRVJFPJJTN-UHFFFAOYSA-N	307.697	1.069	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn(C)c2)c(F)c1Cl	788752269	RZZCXHVYLWBPQH-UHFFFAOYSA-N	310.716	1.596	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NC[C@@H](O)c1cccnc1	787454451	PIXNFUYTKRUVMH-WPMUKRGUSA-N	309.325	1.544	50	20	DDGD	
COc1cccc(OCCC(=O)NNC(=O)C2CCOCC2)c1	894101150	LBHYULOFCDADBU-UHFFFAOYSA-N	322.361	1.038	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnn(-c2cccc(C)c2)c1C	780708589	HLVPCGHDWZSTKQ-UHFFFAOYSA-N	315.377	1.795	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1cnn(C2CCC2)c1	891810822	XNEVRZYKJQACFF-UHFFFAOYSA-N	300.318	1.389	50	20	DDGD	
CCc1c(C(=O)NNC(=O)NC2CC2)cnn1C(CC)CC	790510311	ZNEKLDFUDIGUMG-UHFFFAOYSA-N	307.398	1.913	50	20	DDGD	
Cc1cccnc1NNC(=O)c1ccc(OCC(N)=O)cc1	791226202	YICHERFVQZYKRH-UHFFFAOYSA-N	300.318	1.011	50	20	DDGD	
Cc1nc2ccnn2c(C)c1C(=O)NNc1nc2ccccn2n1	791252760	NBNLWOOQPBZQFA-UHFFFAOYSA-N	322.332	1.146	50	20	DDGD	
Cn1c(C(=O)NNC(=O)c2cccnc2)cc2ccccc2c1=O	794739176	BGWUTTBOPZEUGJ-UHFFFAOYSA-N	322.324	1.008	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(F)c1[N+](=O)[O-])c1cnn(C)c1	790588676	INZMTUMVORKREK-QMMMGPOBSA-N	307.285	1.714	50	20	DDGD	
CCN(CC)C(=O)Nc1ccc(C(C)=NNC(=O)CCO)cc1	1318922856	DCIUHEQRJMPGOF-UHFFFAOYSA-N	320.393	1.783	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1nncc(N)c1Cl)C(C)C	1319392943	HCSBYRYQDLZWME-QMMMGPOBSA-N	302.766	1.009	50	20	DDGD	
Cc1nn(C)cc1[C@H](C)NC(=O)NNc1nncc(N)c1Cl	1319217149	HWTSHEMEDXGUBU-LURJTMIESA-N	324.776	1.141	50	20	DDGD	
CC1(C)CCc2nc(O)c(C(=O)NNc3ncccn3)cc2C1	1319567699	QUMPFXVMDYOOAB-UHFFFAOYSA-N	313.361	1.849	50	20	DDGD	
CC[C@]1(C)Oc2ccc(NC(=O)NNC(=O)CCO)cc2O1	1324398992	WEUTXRPVGABTHX-CQSZACIVSA-N	309.322	1.119	50	20	DDGD	
CC(C)CCn1cc(C(=O)NNc2nncc(N)c2Cl)nn1	1322656393	TZIWHMGBGZFZPW-UHFFFAOYSA-N	324.776	1.107	50	20	DDGD	
COC(=O)c1ccc(C(=O)NC[C@@]2(C)C[C@H]2Br)o1	1329079688	KKZGPKDVKUVDIQ-BXKDBHETSA-N	316.151	1.970	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=S)NC(C)C)CCCC1	1327153448	CQEBCKAFGLPBOU-UHFFFAOYSA-N	301.412	1.014	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)/C=C\c2cnc(C)s2)cc1	1334883136	AFYFLPKKIQSSKH-FPLPWBNLSA-N	317.370	1.935	50	20	DDGD	
CCc1ncoc1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	1262567708	ATUCGJQPFUBKCE-SECBINFHSA-N	321.308	1.605	50	20	DDGD	
CCCNC(=O)[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(F)cc1	1347438368	VCPVAJRLCSDTDG-VSXLWIIGSA-N	303.337	1.764	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CCc3nnc(O)n3C2)cc1F	1358436020	FJZJBUUGKPLHND-SECBINFHSA-N	305.313	1.137	50	20	DDGD	
O=C(Nc1ccc2c(c1)B(O)OCC2)C1CCC(Cl)CC1	1520363800	DTVSQGDIIWPMDR-UHFFFAOYSA-N	307.586	1.683	50	20	DDGD	
O=C(Cc1ccsc1)NNC(=O)Nc1ccc(C(=O)O)cn1	1601372947	UJPGHYXKBIVCNO-UHFFFAOYSA-N	320.330	1.237	50	20	DDGD	
NC[C@H](NC(=O)NNc1ccc(C(=O)O)c(F)c1)C1CCCC1	1608251312	BTZKRTCYDAYZBE-ZDUSSCGKSA-N	324.356	1.668	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2CC23CCOCC3)cc1F	1602385679	YSHDZDMGHWTZIX-LLVKDONJSA-N	308.309	1.784	50	20	DDGD	
CCc1c(C(=O)NNc2ncccc2C(=O)O)cnn1CC	1603966833	YGTNSWBHUULSAG-UHFFFAOYSA-N	303.322	1.316	50	20	DDGD	
Cc1nn(-c2ccc(Cl)cc2)cc1C=NNC(=O)C(=O)O	1607994211	OLSCVFQBIZRUFP-UHFFFAOYSA-N	306.709	1.369	50	20	DDGD	
Cc1c(NNC(=O)NCc2cnccn2)cccc1C(=O)O	1600053910	YQEASMVCPTZWMI-UHFFFAOYSA-N	301.306	1.310	50	20	DDGD	
Cc1ccc(NNC(=O)c2ccn(C)c(=O)c2)cc1C(=O)O	1600461184	CAIJPBALYHPOOW-UHFFFAOYSA-N	301.302	1.149	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@]23C[C@H](N)C[C@H]2C3)c1	1579672981	RMMUHEKWOBQNAZ-HWWQOWPSSA-N	318.446	1.748	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)C[C@H](N)C(F)F)cc1	1575272780	NOPZBJKZWWORIZ-NSHDSACASA-N	313.348	1.728	50	20	DDGD	
Cc1ccccc1C[C@@H](C)C(=O)NN(C)C(=O)N1CCNCC1	1579796628	DVTAANFFOCJQDG-CQSZACIVSA-N	318.421	1.162	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)c2nccs2)C1	1842523905	LNLVVZKSIDQVJJ-MRVPVSSYSA-N	317.773	1.495	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cccc2nc[nH]c12	1593165572	QZMBLUOXTVZJDI-UHFFFAOYSA-N	320.316	1.500	50	20	DDGD	
CC1(C)COC[C@H]1NC(=O)NNc1ccc(CC(=O)O)cc1	1593958967	HYNBPNUQPSOOFM-GFCCVEGCSA-N	307.350	1.365	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNc2ncc(Cl)cn2)c1	1594288612	ZWTSZKIQSMEQHH-UHFFFAOYSA-N	306.709	1.894	50	20	DDGD	
CCCC[C@@H](NNC(=O)[C@H](C)Oc1ccc(F)cc1)C(=O)O	1595640179	ADRQAPRNTNNNRX-GXFFZTMASA-N	312.341	1.857	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@H](CC)C(=O)O)cc1	1593635235	IJTWUMUIAWQUOS-NSHDSACASA-N	307.350	1.304	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)/C=C\c1cc(C(=O)O)co1)C1CC1	1593190072	LBACSJPDQKSCFK-PULIVWKDSA-N	323.374	1.285	50	20	DDGD	
C#CCCCC(=O)NN=Cc1ccn([C@H]2C[C@H](C(=O)O)C2)n1	1776105177	RFHNIIAFJMPXTQ-AULYBMBSSA-N	302.334	1.172	50	20	DDGD	
CC(C)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Cl)C2	1795923613	MJBXGCCONBLSAC-UTINFBMNSA-N	308.756	1.907	50	20	DDGD	
CC(C)CC(=O)NNC(=O)COc1ccc2ccc(=O)oc2c1	17820238	MHBPKIIIZMOJJB-UHFFFAOYSA-N	318.329	1.365	50	20	DDGD	
CN1CC[C@@H](NC(=O)NNc2ccccc2C(F)(F)F)C1=O	163807805	OVGUZLWNKUSGSA-SNVBAGLBSA-N	316.283	1.562	50	20	DDGD	
Cc1cscc1C(=O)NNc1nccc(N2CCOCC2)n1	155541567	PPHJUYGNYDSYBA-UHFFFAOYSA-N	319.390	1.440	50	20	DDGD	
CC(=O)Nc1nc(C(=O)NNc2ccc(C#N)cc2)cs1	155289145	PTMYWZKCLBRQKF-UHFFFAOYSA-N	301.331	1.730	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(C(C)(C)C)n[nH]1	154218613	BEFZTJQMKFQUIB-UHFFFAOYSA-N	315.468	1.179	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCC[C@@H](Cn2ccnn2)C1	154800072	CXRQKQBFYSAKJU-LBPRGKRZSA-N	320.846	1.339	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCCCl)c1nnc2ccccn12	37843151	GXUNXEQPYPMTGS-SECBINFHSA-N	302.787	1.339	50	20	DDGD	
O=C(COCC1CC1)NNC(=O)Cn1ccc2ccccc21	104631664	WEHXKOVTYXNKJT-UHFFFAOYSA-N	301.346	1.215	50	20	DDGD	
O=S(=O)(CCl)N1CCN(c2ccccc2Cl)CC1	104328246	JKHQVWXDMGDAIN-UHFFFAOYSA-N	309.218	1.988	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1nn(-c2ccccc2)c2c1CCC2	54304647	UPUQBWGBKMLLBV-UHFFFAOYSA-N	310.357	1.532	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](C)Cc2ccc(O)cc2)nn1	106334912	VBGLMKHXYAIXFE-LLVKDONJSA-N	301.350	1.748	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(-n2cccc2)cc1	109859182	FRABSNJWAWYZOT-UHFFFAOYSA-N	309.329	1.584	50	20	DDGD	
COc1ccc(CNC(=O)NNc2ccc(Cl)nn2)cc1	25101242	QQUFKFFWOAPCNZ-UHFFFAOYSA-N	307.741	1.965	50	20	DDGD	
C[C@@H](Cc1ccccc1)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	112001766	ALFQYYWWMYSOMH-ZFWWWQNUSA-N	324.446	1.358	50	20	DDGD	
CCOC(=O)NNC(=O)CCc1nc(-c2cccs2)no1	21772488	XPZZENZLPYBFOV-UHFFFAOYSA-N	310.335	1.508	50	20	DDGD	
CS[C@H](C(=O)NNC(=O)c1cc(C)n[nH]1)c1ccccc1	178007930	UQFBPGMIDMZPHP-LBPRGKRZSA-N	304.375	1.583	50	20	DDGD	
O=C(CN1CSCC1=O)NNc1ccc(Cl)c(F)c1	175426478	YLDAOZQQLQYUAN-UHFFFAOYSA-N	303.746	1.455	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2cn3ccccc3n2)c1	66569471	UQSZDFICZCPGKH-UHFFFAOYSA-N	308.341	1.646	50	20	DDGD	
CC(=O)NNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1	115707743	XZTQDEBCZNELLA-DGCLKSJQSA-N	309.753	1.027	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc3nncn3c2)nn1	118525179	MAFBHDOYBRVZIY-UHFFFAOYSA-N	311.349	1.574	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C[C@H](C)C(C)C	171287733	SOXHBCUOIGOSLB-LBPRGKRZSA-N	308.378	1.904	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)COc2ccc(C=O)cc2)n1	171362514	ZMBLBLUNZASRAT-UHFFFAOYSA-N	300.318	1.428	50	20	DDGD	
O=C(CCc1nc2ccccc2[nH]1)NNC(=O)c1cccnc1	23239079	QZZCUWYYKJHGOD-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc2cc(F)ccc2[nH]1	68461332	LLUUCCVUHWGXID-UHFFFAOYSA-N	308.313	1.288	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1csc(Cc2ccccc2)n1	65189813	WIQBBIXPFAPPIW-UHFFFAOYSA-N	318.402	1.627	50	20	DDGD	
CC(C)(C)OC(=O)NC(C)(C)C(=O)NNC(=O)c1cccnc1	60141710	ANFIMJJBKSSPGL-UHFFFAOYSA-N	322.365	1.146	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CS[C@H](C)[C@H](C)O	121210000	RFJBOIPOBBQHJX-NWDGAFQWSA-N	310.419	1.187	50	20	DDGD	
CS(=O)(=O)CCCC(=O)NNc1cccc2cnccc12	178507330	RDHPHWDNKGDDGC-UHFFFAOYSA-N	307.375	1.503	50	20	DDGD	
CC#CCCCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	184895805	PBCBNJALUHAPCQ-AWEZNQCLSA-N	302.330	1.167	50	20	DDGD	
CC(=O)N1c2ccccc2C[C@H]1C(=O)NNc1ncc(F)cn1	122709355	CFNSEPXGBRPWBK-ZDUSSCGKSA-N	315.308	1.037	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1ccc(C#N)cc1)c1ccncc1	128036454	MHTXBLITSJJRIY-GFCCVEGCSA-N	308.341	1.908	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1ccc(Cl)cn1	77004824	IGKYERHEALIVDO-UHFFFAOYSA-N	319.748	1.834	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2cc(C)on2)cc1	122772683	XXFQYUGMSXEJHG-UHFFFAOYSA-N	304.306	1.523	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2COc3ccc(F)cc3C2)nc(C)n1	121148313	RZYJNDMMJUAMBB-GFCCVEGCSA-N	316.336	1.927	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)Nc2nccs2)c1	183089241	WRHDJPDYSWSIEJ-UHFFFAOYSA-N	312.376	1.695	50	20	DDGD	
CCC(CC)n1nc(C(=O)NNC(=O)c2cccn2C)cc1C	182947065	JKBARMXPWFHDHO-UHFFFAOYSA-N	317.393	1.966	50	20	DDGD	
COCCc1ccccc1NC(=O)NNC(=O)c1ccc[nH]1	189558384	KPBYPTZJJKSLBC-UHFFFAOYSA-N	302.334	1.670	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)Cc2ccncc2)c(F)c1	182812732	URFQMJVDNDKTHI-UHFFFAOYSA-N	302.309	1.925	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNC(=O)c1cc(-c2ccccc2)on1	120158194	GUSNRNORWPPOJM-INIZCTEOSA-N	317.345	1.654	50	20	DDGD	
O=C(CCCNC(=O)c1ccsc1)NNc1ccnc(F)c1	182515023	FDQOPPHMRIITLJ-UHFFFAOYSA-N	322.365	1.936	50	20	DDGD	
CN(C)CC(=O)NNC(=O)C(c1ccccc1)c1ccccc1	75653164	AZOOMELZPMSSGG-UHFFFAOYSA-N	311.385	1.528	50	20	DDGD	
O=C(NNc1ccncc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1	180470403	HHBZKCLXWCQRRC-CQSZACIVSA-N	310.357	1.573	50	20	DDGD	
C#Cc1cccc(NC(=O)C(=O)NNc2cc(C)nc(C)n2)c1	130461210	HRSGHGXPNUCUII-UHFFFAOYSA-N	309.329	1.157	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1cnn(-c2ccccc2)c1	195067642	KBIWGNSEDFCGND-UHFFFAOYSA-N	322.390	1.228	50	20	DDGD	
C[C@@H]1CCC[C@](CNC(=O)NNC(=O)c2ccc[nH]2)(N(C)C)C1	131802894	ASWFNLRCAOSQJL-WBMJQRKESA-N	321.425	1.469	50	20	DDGD	
C[C@H]1CC[C@@H](NC(=O)NNC(=O)Cc2ccncc2)[C@H](C)C1	83227161	VYSDWPNDXHZUHX-OUCADQQQSA-N	304.394	1.779	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)C[C@H]1CCCCO1	86990527	ANRLXFMKXLCINR-CYBMUJFWSA-N	315.373	1.817	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(N2CCN(C)CC2)cc1C	43491414	QDVXWZRATKEKLE-UHFFFAOYSA-N	321.381	1.139	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NC[C@@H]1CCCCO1	140378669	PIVDBRFJOMSNCF-ZDUSSCGKSA-N	321.377	1.137	50	20	DDGD	
O=C(CCC1CCNCC1)NNc1nc(-c2ccccc2)no1	237963231	RYJFDBXOKMHMAD-UHFFFAOYSA-N	315.377	1.960	50	20	DDGD	
CN(C)CCn1ccc(NC(=O)NNc2ccc(Cl)nn2)n1	92765582	PJWWFYKOZMYPRA-UHFFFAOYSA-N	324.776	1.037	50	20	DDGD	
NC(=O)COc1ccc(C=NNC(=O)c2ccccc2O)cc1	254841841	WDDYZVLIAWLRPE-UHFFFAOYSA-N	313.313	1.020	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CN1CCSC1=O)c1ccccc1	264628939	BXQOWSXGWXLFPM-GFCCVEGCSA-N	321.402	1.496	50	20	DDGD	
CC(C)N1CC[C@H](NC(=O)NNc2c(F)cccc2F)C1=O	265405709	AYBKLNGBKKFPSX-NSHDSACASA-N	312.320	1.600	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CN2CCCCCC2=O)n1	267249731	ZDXVTJSIPIRVJM-UHFFFAOYSA-N	311.773	1.284	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1	267945800	JEWOYYXTGJRQPY-OLZOCXBDSA-N	316.405	1.564	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NN2CCCNC2=O)cc1	272963638	QPGDQHNZQDAZEC-JLHYYAGUSA-N	314.345	1.439	50	20	DDGD	
CC(C)C(C)(C)C(=O)NNC(=O)Cc1cn2ccccc2n1	275876405	PESCULZTXMFRGK-UHFFFAOYSA-N	302.378	1.706	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1ccc(F)c(F)c1	272414355	ZHKXLUCZBIHLGV-MRVPVSSYSA-N	317.292	1.169	50	20	DDGD	
O=C(Cc1ccc(F)cc1Br)NNC(=O)C1CC1	275002150	QIUCJHWTBNZEDV-UHFFFAOYSA-N	315.142	1.688	50	20	DDGD	
COC1(C)CCN(C(=O)NNC(=O)c2ccc(C#N)cc2)CC1	271749006	YDZIMCAIPQCANW-UHFFFAOYSA-N	316.361	1.414	50	20	DDGD	
CC(C)[C@](C)(NC(=O)/C(C#N)=C\c1ccc(O)cc1)C(N)=O	287859792	LZUUDQZZUFBHLV-LJEUOOAZSA-N	301.346	1.315	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNc1cc(Cl)ccn1)c1nncn1C	286948487	OGKGPHBVUWGYRS-LLVKDONJSA-N	323.788	1.887	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)N[C@@H]1C[C@H]1CC	280818089	RWYKRPYWVXVPLB-VXGBXAGGSA-N	321.377	1.593	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc(NCC2CC2)nc1	295369367	JVGQEYYGYHGMBZ-ZDUSSCGKSA-N	318.377	1.234	50	20	DDGD	
O=C(NNC(=S)Nc1ccc(Cl)cc1)N1CCOCC1	804023552	GYZNINMPAMQKAV-UHFFFAOYSA-N	314.798	1.583	50	20	DDGD	
CC[C@H](C)CC(=O)NNc1ccccc1S(=O)(=O)N(C)C	292133081	INNYEHHCRLXSKW-NSHDSACASA-N	313.423	1.816	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ncccc2F)nc1Cl	804216010	NDSWAYVSXMKJPC-UHFFFAOYSA-N	309.688	1.125	50	20	DDGD	
O=C(NN=C1CCC[C@@H]1CCCF)[C@@H]1CCS(=O)(=O)C1	800809776	WXGQDZDFTHTGRJ-GHMZBOCLSA-N	304.387	1.443	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1c(F)cccc1N1CCCC1	805754749	BBYAPHDFIWBEJR-UHFFFAOYSA-N	322.384	1.912	50	20	DDGD	
O=C(CCCOCc1ccccc1)NNC(=O)c1ccc[nH]1	299493330	JACQBGUXACRBBL-UHFFFAOYSA-N	301.346	1.773	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)Nc2ccc3c(c2)OCO3)o1	802097286	INPDDTFXWAATMF-UHFFFAOYSA-N	317.301	1.712	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)/C=C/c1cnn(C)c1	805381916	XAGQZUFUPFFYKP-ZZXKWVIFSA-N	301.306	1.793	50	20	DDGD	
COCc1ccccc1NC(=O)NNC(=O)[C@H]1CCCCO1	296399163	QOJVRCNQPJEXFB-CYBMUJFWSA-N	307.350	1.555	50	20	DDGD	
COCCN(C)NC(=O)c1cc(C2CC2)nn1-c1ccccc1	293603005	LGIKICLFVDHBHU-UHFFFAOYSA-N	314.389	1.973	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1ccc(C#N)c(F)c1	291797352	AJVGFNHLCDXIAM-UHFFFAOYSA-N	313.354	1.443	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N(C)C)cc1OC(F)F	299355088	HQCPVKSECVBTJV-UHFFFAOYSA-N	303.265	1.213	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N(C)CC(C)(C)CO)cc(C#N)n1C	296403294	WSCWWSDLJLSKCP-MKMNVTDBSA-N	314.389	1.589	50	20	DDGD	
Cc1cnn(CCC(=O)NNc2nccnc2C2CCC2)c1	805461529	GMBCKGMTCONSNX-UHFFFAOYSA-N	300.366	1.782	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NNc1cccc(F)n1	804773117	FIDNIMCTLCHQKL-JTQLQIEISA-N	308.357	1.701	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2cccc(F)n2)c(F)c1	807392550	REZZDLAETOSMKT-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
O=C(Cc1nnc(O)c2ccccc12)NNc1cccc(F)n1	804771555	CSMXAGZIKQPWKH-UHFFFAOYSA-N	313.292	1.555	50	20	DDGD	
O=C(NN=Cc1cc(F)ncc1F)c1ccc2c(c1)OCCO2	807961496	SCFNKASTLIOCOX-UHFFFAOYSA-N	319.267	1.895	50	20	DDGD	
CC(Cn1cccn1)=NNC(=O)CSc1nc(C)cc(C)n1	814710758	RHSUHMFAEQOMQM-UHFFFAOYSA-N	318.406	1.574	50	20	DDGD	
CC(C)C(=O)Nc1cc(C(=O)NNc2cnccn2)ccn1	816173810	VIOCTGSNIDXRHH-UHFFFAOYSA-N	300.322	1.223	50	20	DDGD	
COC(=O)Cc1ccc(NC(=O)NNC(=O)C2CC2)cc1F	817321695	PTDXLCOKRPKGFH-UHFFFAOYSA-N	309.297	1.104	50	20	DDGD	
CN(C)c1nccc(NNC(=O)COc2cc(F)cc(F)c2)n1	810428118	XLTIISBTZYLNIC-UHFFFAOYSA-N	323.303	1.343	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(-n2ccnc2SC)cc1	816561167	NSXPLBKYWCGIRV-UHFFFAOYSA-N	320.418	1.817	50	20	DDGD	
CCc1ccc(C(=O)NN=Cc2cc(C(=O)OC)no2)cc1	814745029	FNSVKOWIZNKXEA-UHFFFAOYSA-N	301.302	1.788	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2cccc(Cl)c2)nc1	815574050	BWZDZMZLFFZODC-UHFFFAOYSA-N	315.720	1.688	50	20	DDGD	
O=C1CC[C@@H](CC(=O)NNc2cc(Cl)nc(Cl)c2)CN1	819746490	CLOVXAFMADOGCH-ZETCQYMHSA-N	317.176	1.748	50	20	DDGD	
Cc1cc(=O)cc(C)n1CCCC(=O)NNc1ccccn1	810916813	BTXAEPAKMPIXGX-UHFFFAOYSA-N	300.362	1.784	50	20	DDGD	
O=C(O)c1cccc(C=NNC(=O)[C@@H]2Cc3ccccc3O2)c1	814825896	MWMHLKVYOOXJMI-HNNXBMFYSA-N	310.309	1.839	50	20	DDGD	
Cc1noc(CNC(=O)NN=c2sc3ccccc3n2C)n1	727230259	HEARYPFWCXUYAR-UHFFFAOYSA-N	318.362	1.246	50	20	DDGD	
COc1ccc(OC)c(NC(=S)NNC(=O)NC(C)C)c1	726485075	LJHJOMCRMGXKSL-UHFFFAOYSA-N	312.395	1.613	50	20	DDGD	
O=S(=O)(CBr)N1CCC[C@H]1[C@@H]1CCCOC1	827788985	YJZMLZQPNBXCMI-ZJUUUORDSA-N	312.229	1.560	50	20	DDGD	
COCCOC[C@H](C)NC(=O)/C(C#N)=C\c1ccc(F)cc1	490876400	KEBATMAXCPVZEO-CJAAZZPWSA-N	306.337	1.900	50	20	DDGD	
CCn1cc(NC(=S)NNC(=O)c2cccc(C#N)c2)cn1	728794360	TTXJCZMSUICANH-UHFFFAOYSA-N	314.374	1.406	50	20	DDGD	
CC[C@H]1C[C@@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCO1	825182920	MMJWNFUMMGQPRT-AAEUAGOBSA-N	316.365	1.515	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(C)n(-c2ccc(C)cc2)n1	823874048	LEBNNROXOQZJSE-UHFFFAOYSA-N	302.378	1.448	50	20	DDGD	
CN(C(=O)OC(C)(C)C)C(C)(C)C=NNC(=O)c1cnn(C)c1	494364151	MTZALCNAMDCBDJ-UHFFFAOYSA-N	323.397	1.781	50	20	DDGD	
COC(=O)N(C)NC(=O)c1csc(Nc2ccccn2)n1	495629411	RNKUXHNDQQBIAX-UHFFFAOYSA-N	307.335	1.625	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cccn2C)n(C(C)(C)C)n1	726874504	YCKZHRJWEMGLMK-UHFFFAOYSA-N	318.381	1.752	50	20	DDGD	
O=C(NC[C@H]1CN2CCC[C@@H]2CO1)NNc1ccccc1Cl	729618979	NQGYNWKRKHHRGO-NEPJUHHUSA-N	324.812	1.829	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1C[C@@H]1C1CCCCC1	826075938	HSURPULAJQMPFV-DEQVHRJGSA-N	309.410	1.711	50	20	DDGD	
CC(=O)c1cccc(OCCCC(=O)NN(C)[C@H](C)CO)c1	823965332	LLRIDLIAPNINGB-GFCCVEGCSA-N	308.378	1.392	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)C1	824901176	XWCTWSKAHCLUCS-SFYZADRCSA-N	321.772	1.794	50	20	DDGD	
COc1ccnc(NNC(=O)c2cnc(-c3ccco3)s2)n1	728861946	SHHWTGCMSVNAHK-UHFFFAOYSA-N	317.330	1.959	50	20	DDGD	
C[C@H](Oc1cccc2ccccc12)C(=O)NN(C)C[C@@H](C)O	821217381	IJJULLVOALYAMY-OLZOCXBDSA-N	302.374	1.951	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)C1(C(=O)C2CC2)CC1	825969718	QTYZOJHBQYVDFV-UHFFFAOYSA-N	316.357	1.110	50	20	DDGD	
CC(C)N(CC(=O)NNC(=O)NC1CC1)C(=O)OC(C)(C)C	823767818	JNCFFKDLVBISBX-UHFFFAOYSA-N	314.386	1.125	50	20	DDGD	
CCOC1(CNC(=O)/C(C#N)=C\c2cnn(C)c2)CCCC1	491176474	PUSHFAVZBPJBCD-ZSOIEALJSA-N	302.378	1.793	50	20	DDGD	
C[C@](O)(CNCc1ccc(B(O)O)cc1)c1cccc(Cl)c1	585036858	QNKRNQMATVQZKA-INIZCTEOSA-N	319.597	1.017	50	20	DDGD	
CCN(CCO)NC(=O)[C@](O)(CC)c1cccc(Cl)c1	823884714	GWQFJCXCDHGKCB-AWEZNQCLSA-N	300.786	1.283	50	20	DDGD	
CC(C)C[C@H](CCO)CNC(=O)/C(C#N)=C/c1cnn(C)c1	491080780	FDZCKYROFPQBPM-FEZXJWFHSA-N	304.394	1.488	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1nc(N2CCCC2)ncc1Cl	732142829	KLSMNUUIKNUWOH-UHFFFAOYSA-N	323.784	1.291	50	20	DDGD	
C=C(CI)n1cc(C2(O)CCC2)nn1	900641257	QMTYCBBLFCKDQV-UHFFFAOYSA-N	305.119	1.555	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccn(-c2ccc(OC)cc2)n1	495825875	UENRVHVORSLGLN-UHFFFAOYSA-N	304.306	1.224	50	20	DDGD	
COc1ccc([C@@H](C)NCc2ccc(B(O)O)cc2F)cc1F	585014324	NWBHXIQRSTVIFB-SNVBAGLBSA-N	321.132	1.504	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCO[C@H](c3ccccc3)C2)cn1	491160539	LMXKBAGNQLYJEW-NDCSFFLDSA-N	322.368	1.927	50	20	DDGD	
O=C(NN=C1CCOC1)c1cccc(NN=C2CCOC2)c1	731923404	JXINFWNAYUIXGQ-UHFFFAOYSA-N	302.334	1.381	50	20	DDGD	
CCO[C@H](CCNC(=O)NNC(=O)N=c1cc[nH]cc1)C(C)C	836337229	KVKIDJGZTLQINZ-CYBMUJFWSA-N	323.397	1.290	50	20	DDGD	
CC(C)Oc1ccccc1CC(=O)NNC(=O)[C@H]1CCCCO1	833250844	MRMYSNAGBMEXOZ-OAHLLOKOSA-N	320.389	1.733	50	20	DDGD	
COC(=O)[C@H](c1cccc(C(=O)O)c1)N1CC=C(C#N)CC1	833702687	XRYPOQOJPVWDBP-AWEZNQCLSA-N	300.314	1.755	50	20	DDGD	
CCN(c1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cc1)C(C)C	585070298	VJVGDMFRHVLWIR-CQSZACIVSA-N	304.199	1.610	50	20	DDGD	
CC(C)c1ccc(C=NNC(=O)NCC(=O)O)cc1[N+](=O)[O-]	833510340	ROPNDADHQFAHSD-UHFFFAOYSA-N	308.294	1.436	50	20	DDGD	
C#CCOc1ccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	836384145	MVCGAJRAWZVGKO-AWEZNQCLSA-N	317.345	1.420	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2ccc3ccccc3n2)CCCCO1	837303928	BBZPNWXVOZYIBU-KRWDZBQOSA-N	313.357	1.955	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cnn3ccccc23)cc1	731867240	OUUIYCZNWDLNKE-UHFFFAOYSA-N	323.356	1.516	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	831677916	NNDCBVVZUMHSSU-KOLCDFICSA-N	322.321	1.481	50	20	DDGD	
C[C@H](NCc1ccccc1B(O)O)[C@H](c1ccccc1)N(C)C	585037216	WNGOKTLIIDHTCA-KBXCAEBGSA-N	312.222	1.147	50	20	DDGD	
O=C(/C=C/c1cccc(Br)c1)N1CC[C@H](B(O)O)C1	585070913	IEZFIKFFHCONLY-ZWNMCFTASA-N	323.983	1.538	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H](C)c2ccnc(O)c2)n1	838618081	KTRVHVYYQYWNIG-JTQLQIEISA-N	302.338	1.581	50	20	DDGD	
O=S(=O)(/C=C/c1cccc(Cl)c1)N1CC[C@H](B(O)O)C1	585058489	GPXBLEZQEFEGQA-ZRQQLDRUSA-N	315.587	1.189	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1ccc2c(c1)OCCCO2	731904780	RFYVVJLTZCLPPZ-SNVBAGLBSA-N	324.402	1.886	50	20	DDGD	
COCCN(C)NC(=O)C[C@@H](c1ccccc1)N1CCOC1=O	837623940	SWPJMRWXFBNUMN-AWEZNQCLSA-N	321.377	1.179	50	20	DDGD	
CO[C@H](CNCc1ccc(B(O)O)cc1F)C1CCCCC1	585049389	FWVQAYPZKLTDFG-MRXNPFEDSA-N	309.190	1.190	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)C1CCS(=O)(=O)CC1	733362960	BZTGKNZIUGXFMG-UHFFFAOYSA-N	304.318	1.233	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)Sc1ccc(C#N)cn1	734982028	ISCARUGLHDKKGJ-JTQLQIEISA-N	306.391	1.627	50	20	DDGD	
CC[C@H](CC(F)(F)F)C(=O)NNC(=O)NCC(F)(F)F	831753865	DBLHGORCYJKBCR-RXMQYKEDSA-N	309.210	1.858	50	20	DDGD	
CCC(F)(F)C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1	831429901	WJECFDPNPTVOEH-UHFFFAOYSA-N	314.317	1.945	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COc2ccccc2O)c1C	730778474	ORPJEEZDIXEHOK-UHFFFAOYSA-N	314.341	1.849	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1ccc(OC(C)C)c(C)c1	917720334	MLOGRTFKLNKNPR-UHFFFAOYSA-N	300.380	1.502	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)Nc1nc2n(n1)CCCC2	836776658	RWNIDSAZKCPXKZ-UHFFFAOYSA-N	317.309	1.671	50	20	DDGD	
CO[C@@H]1CC(=NNC(=O)c2ccnc(N(C)C)c2)C12CCC2	834956158	KJRLGUODHQACKC-CYBMUJFWSA-N	302.378	1.822	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)C)n1	843764884	OZXDSVOBWGMJFM-NSHDSACASA-N	324.381	1.542	50	20	DDGD	
C=CCNC(=S)NNC(=O)C[C@H](c1ccccc1)N(C)C	841375907	MYTBNQSVCDWCAW-CYBMUJFWSA-N	306.435	1.361	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)c1ccc(C(F)F)cc1F	847297675	DFXFQSMXUHFJHU-UHFFFAOYSA-N	317.267	1.049	50	20	DDGD	
CCn1ccc(C(=O)NNC(=O)COc2cccc(C)c2)n1	843752835	YUCZIIQGOQBHHH-UHFFFAOYSA-N	302.334	1.051	50	20	DDGD	
O=C(C[C@H]1CCOC1)NNC(=O)c1cc(-c2ccccc2)[nH]n1	740075493	JVGHKJYNMIMDSW-LLVKDONJSA-N	314.345	1.264	50	20	DDGD	
CCN(C)[C@H](C(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1ccccc1	843662812	SXBOFOAMYNSZHK-QEJZJMRPSA-N	319.405	1.252	50	20	DDGD	
CCOc1ccccc1C=NNC(=O)[C@@H](C)CN1CCOCC1	916363744	YHRCLKKBZNGBHC-AWEZNQCLSA-N	319.405	1.504	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1c(Cl)cncc1Cl	843970858	MEIQUHBPUBGIHA-RNFRBKRXSA-N	318.160	1.574	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CC(C)(C)c1ccccc1	843650076	ZJJOHNXFRVPLDJ-JSGCOSHPSA-N	304.390	1.927	50	20	DDGD	
COc1cc(C(C)=NNC(N)=O)ccc1S(=O)(=O)C(F)F	747040057	HCQWTVUGGXUZOH-UHFFFAOYSA-N	321.305	1.084	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)c1ccc2c(c1)OCCO2	749764557	VGPWFIKFXSNBHH-VIFPVBQESA-N	309.391	1.365	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1ccc(Cl)cc1O	841610881	NJMTYPMQHOVGHE-UHFFFAOYSA-N	309.753	1.508	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1	910148509	TWLQASKMMORPKW-NWDGAFQWSA-N	311.813	1.510	50	20	DDGD	
CCCC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	845096249	JTKLFLYWVABGFL-UHFFFAOYSA-N	305.378	1.907	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CCC[C@@H](N)C2)c1	841983762	VMZODXOLMJORET-VXGBXAGGSA-N	306.366	1.369	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=S)NCC2CC2)cc1C	849252371	DSVZWOROYRSHHI-UHFFFAOYSA-N	320.418	1.147	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CCN[C@H](C)C2)c1F	841990277	ZDKRTFBNHWVFNQ-ZJUUUORDSA-N	324.356	1.379	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CN1CCCC1=O)C1CCC(C)CC1	913732254	NVJFJKUNZWDYSX-RUXDESIVSA-N	323.437	1.609	50	20	DDGD	
Cc1n[nH]c(C)c1C=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1	915955153	WMGFRKYUNPQZOO-UTUOFQBUSA-N	321.425	1.222	50	20	DDGD	
C[C@@H](N)CNC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	841988207	ZTGHCCRMRDICCL-GYPVXTSCSA-N	308.426	1.271	50	20	DDGD	
COCCNCCNC(=O)NNc1ccc(Cl)cc1Cl	841968646	RILXMLHEGMRPIO-UHFFFAOYSA-N	321.208	1.856	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C2CC2)c(C#N)cc1N(C)C	841711884	JKMMCACBGYRVGK-UHFFFAOYSA-N	301.350	1.495	50	20	DDGD	
COc1ccccc1NCC(=O)NN=Cc1cnc2cnccn12	746366205	JYLBUFWKFGECPT-UHFFFAOYSA-N	324.344	1.300	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2ocnc2C)c1	747344404	FKQNSNJHSOZEEF-UHFFFAOYSA-N	305.290	1.075	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@@H]1CCc2cncn2C1	844140653	UDJMGNWDDCZTDI-SECBINFHSA-N	319.296	1.636	50	20	DDGD	
CC1(C)CCCC1=NNC(=O)CSc1nnc(O)nc1O	749858797	JWPCPKUBCMKCEB-UHFFFAOYSA-N	311.367	1.057	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CC2(COC)CC2)n1	844135892	ZUDQTAQGAZLLSL-UHFFFAOYSA-N	307.398	1.583	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C1CCC[C@@H](c2ccnn2C)C1	842557048	CUVNCPZPUCJFMI-SCRDCRAPSA-N	304.394	1.975	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CCC[C@@H](C#N)C2)cc(C#N)n1C	928229056	MKLKDZYHOMBQPZ-NOAOUHAHSA-N	307.357	1.874	50	20	DDGD	
CCOC(=O)[C@@H](C[C@@H](C)CC)NS(=O)(=O)CCCCl	921382448	DJNNZAQGRUKTDL-WDEREUQCSA-N	313.847	1.903	50	20	DDGD	
C[C@H]1C(=O)Nc2cc(C(=O)NNc3cccnn3)ccc2N1C	750243100	WZWPPZIMGMLJGS-VIFPVBQESA-N	312.333	1.010	50	20	DDGD	
Cc1ncccc1C=NNC(=O)CCCNC(=O)C(C)(C)C	853408924	BWZHRIYALWUSFG-UHFFFAOYSA-N	304.394	1.783	50	20	DDGD	
CO[C@@H](C)CNC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	852529233	FFDUVDBGAKZWKG-GVMDUPDNSA-N	323.437	1.958	50	20	DDGD	
CC(C)Sc1c(Cl)cccc1NC(=O)NNC(=O)CO	756732756	LCEVCHCKFUJLCE-UHFFFAOYSA-N	317.798	1.986	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)c2cccc(Cl)n2)CCC1=O	857323086	AOBUPDYLBUZJGG-RKDXNWHRSA-N	309.753	1.501	50	20	DDGD	
CC(=NNC(=O)C1CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	853261868	WZJXIBVXGKXXKC-GFCCVEGCSA-N	311.382	1.524	50	20	DDGD	
CC(=O)N1CCC(=NNC(=O)[C@@H]2CCCCO2)c2ccccc21	857209850	HFPXRQZOWNMJDN-INIZCTEOSA-N	315.373	1.833	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)C[C@H]1CCS(=O)(=O)C1	855365426	LKHPDJZHKNQHGQ-SNVBAGLBSA-N	300.355	1.402	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)[C@H](C)CS(C)(=O)=O	928338829	BHUYONYDECKXGP-SECBINFHSA-N	304.799	1.772	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2C[C@@H]2C2CC2)cc1	751746278	QYQIXMRXQFLFQC-KGLIPLIRSA-N	316.357	1.345	50	20	DDGD	
COc1cc(C(C)=NNC(=O)CCCNC(=O)C(C)(C)C)on1	853408287	PJWLISKEXSMHAH-UHFFFAOYSA-N	324.381	1.466	50	20	DDGD	
Cc1ccoc1C=NNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C	853371821	JDFXMHFFHBHOJJ-TZMCWYRMSA-N	316.361	1.940	50	20	DDGD	
CO[C@H](C)CCNC(=O)NNc1ccc([N+](=O)[O-])cc1F	853641611	QRASVGAKSNHUSV-MRVPVSSYSA-N	300.290	1.785	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](CO)NC(=O)C(C)C)ccc1Cl	928340333	XDGYDHKQDTYGKH-LBPRGKRZSA-N	313.785	1.225	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cccc(OC)n2)nc1	759734742	PVDTWHSQCXSSMO-UHFFFAOYSA-N	302.290	1.029	50	20	DDGD	
CC[C@@H]1CN(C(=O)NNC(=O)c2cccc(F)n2)C[C@@H](CC)O1	852711118	DMAJYJWUSLOPJU-GHMZBOCLSA-N	324.356	1.465	50	20	DDGD	
Cc1c[nH]ccc1=NC(=O)NNC(=O)c1cc2c(s1)CCC2	757807016	CVEJPNSZCFIZLX-UHFFFAOYSA-N	316.386	1.829	50	20	DDGD	
Cc1cccc([N+](=O)[O-])c1C(=O)NNC(=S)NCC1CCC1	855089934	MMJVJKJFFZNFIM-UHFFFAOYSA-N	322.390	1.812	50	20	DDGD	
Cn1ccnc(NC(=O)NC[C@@]2(C)C[C@H]2Br)c1=O	856854432	LQCHFNIDMNIFPO-RDDDGLTNSA-N	315.171	1.075	50	20	DDGD	
NC(=S)c1ccc(C(=O)NNC(=O)CC2CCCC2)cc1	857091847	KZPOTZJGGHIRDF-UHFFFAOYSA-N	305.403	1.662	50	20	DDGD	
Cc1ccnc(COC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)n1	756166439	CJRFJRJRGNGBIV-MKMNVTDBSA-N	321.340	1.954	50	20	DDGD	
Cn1ncc(C(=O)OC[C@H](CBr)C2CC2)c1N	859578220	ORMPXSUOOZXBIS-QMMMGPOBSA-N	302.172	1.580	50	20	DDGD	
COc1ccccc1C(=O)NN=Cc1nnn(C(C)(C)C)n1	853304778	AJMUVQKAGYHKHP-UHFFFAOYSA-N	302.338	1.201	50	20	DDGD	
C[C@@]1(CNC(=O)CCCn2cccn2)C[C@H]1Br	857404157	WSJZXIFRMQUXDE-PWSUYJOCSA-N	300.200	1.953	50	20	DDGD	
Cc1ccc(OC(F)F)c(C=NNC(=O)C(=O)NC2CC2)c1	756823024	GZZMURKXLRUVED-UHFFFAOYSA-N	311.288	1.325	50	20	DDGD	
CCOCCNC(=S)NNC(=O)c1c[nH]c2ccccc12	750974555	RXYNRSHHXLSTQV-UHFFFAOYSA-N	306.391	1.313	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cnc([C@H](C)O)s1	857495734	BACHWJNLWDCYJU-QMMMGPOBSA-N	307.379	1.867	50	20	DDGD	
C[C@@H]1OCC(=NNC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)[C@@H]1C	853377686	CDDGOEJKSCTXPG-NWJSVONSSA-N	320.393	1.415	50	20	DDGD	
C=CCN(CC(=O)NNC(=O)c1ccc(F)cc1)[C@@H](C)COC	852356598	JAMOSSPMJUIGMR-LBPRGKRZSA-N	323.368	1.110	50	20	DDGD	
CCOC(=O)C[C@H]1CCCCC1=NNC(=O)NCCCOC	754941616	JRGAZNWBZCOXCQ-GFCCVEGCSA-N	313.398	1.822	50	20	DDGD	
CCn1ncnc1CNC(=O)NNc1ccc([N+](=O)[O-])cc1F	854034070	UKKAHZRPMZDHBK-UHFFFAOYSA-N	323.288	1.172	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@H]1CCCc2cn(CCOC)nc21	758817424	ZOELDTKKWSGEOD-ZVHGMHCTSA-N	318.377	1.467	50	20	DDGD	
CCc1noc(COCC(=O)NNc2ccc(F)cc2C)n1	935023404	UZANKYBPBODCTO-UHFFFAOYSA-N	308.313	1.739	50	20	DDGD	
O=[N+]([O-])c1ccccc1CS(=O)(=O)NCC(Cl)Cl	867470643	RYXZJMLRLJXTHU-UHFFFAOYSA-N	313.162	1.818	50	20	DDGD	
CN(Cc1noc(C2CC2)n1)S(=O)(=O)CC(C)(C)CCl	867409265	JAWJLVAQEUYZMA-UHFFFAOYSA-N	321.830	1.974	50	20	DDGD	
COC(=O)c1cc(C(=O)NNC(=O)CC(F)(F)F)ccc1C	869020412	KFPFJIRNALTKKL-UHFFFAOYSA-N	318.251	1.495	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=CCCCCOc1ccccc1	863188064	YFAWQGTUVHBPPM-UHFFFAOYSA-N	312.391	1.382	50	20	DDGD	
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ncc(F)cn1	760908862	WGXVHQVEQXAZLV-VIFPVBQESA-N	313.333	1.362	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)c2cc(C)cs2)c1C	862477056	DZIXVHKHTLGBRO-UHFFFAOYSA-N	306.391	1.965	50	20	DDGD	
O=C(NCC(F)(F)F)NN=C1CCN(c2nccs2)CC1	764680184	AFWTVXBHAVODQK-UHFFFAOYSA-N	321.328	1.961	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)CCc1c(F)cccc1F	863400257	KZVOICXICLHPEQ-VIFPVBQESA-N	320.361	1.504	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)c1cn[nH]c1	862469817	CCSLTQNPDWQPFN-HTQZYQBOSA-N	310.766	1.689	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccccc2C(=O)OC)o1	1116515196	GSEUYSFOKXVYLB-UHFFFAOYSA-N	318.285	1.610	50	20	DDGD	
Cc1cc(S(C)(=O)=O)cc(C(=O)NNc2cccnn2)c1C	760154108	JHLJRJZPAKUEGK-UHFFFAOYSA-N	320.374	1.254	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)CCC1=O	763335183	JXZWEGDOHXIYKZ-NXEZZACHSA-N	318.329	1.182	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=CC1CCN(C)CC1	872337138	UXGRUZPXEVRUEV-RRFJBIMHSA-N	324.469	1.176	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)Nc1ccc(C2CC2)cc1	764335433	QLQLYRSSKGFWAU-UHFFFAOYSA-N	301.346	1.450	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NN(C)C(=O)OC)cc1Cl	878381622	ZJDCROSGHNFOEU-UHFFFAOYSA-N	314.729	1.434	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C	771912796	HEGRTJBLWFRWSP-GVXVVHGQSA-N	310.394	1.714	50	20	DDGD	
CCN1CCC(=NNC(=O)c2ccc(C(=O)O)cc2)[C@@H](C)C1	872408829	KUSQOKZGSKMWOX-NSHDSACASA-N	303.362	1.832	50	20	DDGD	
CC(C)(C)OC(=O)Nc1ccoc1C(=O)NNC(=O)C1CC1	1117786204	LANFCVXMKUWDTE-UHFFFAOYSA-N	309.322	1.798	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCOc2ccccc21	772088382	NNSSHKRURDZLRK-PWSUYJOCSA-N	320.345	1.042	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2c(Cl)cccc2Cl)C1=O	773369496	VYROWQPZSMXVRB-ZETCQYMHSA-N	302.161	1.915	50	20	DDGD	
O=C(NNc1ncccc1C(F)(F)F)c1cnn2ccncc12	1117424981	UYKIHYNXZVOVNM-UHFFFAOYSA-N	322.250	1.900	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2cnn3c2CCC3)c1	873777285	LKGKQELMFSVUHN-UHFFFAOYSA-N	315.402	1.769	50	20	DDGD	
COCCOCC(=O)NN=Cc1cc2c(cc1OC)C[C@H](C)O2	872403815	SLJPDSYETIUYEJ-NSHDSACASA-N	322.361	1.132	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CC2)nn1-c1cccc(C#N)c1	779866770	LBCYKOZMDSWMPQ-UHFFFAOYSA-N	309.329	1.223	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCc1ccc(Cl)c(OC)c1	875624506	JVZXIGVPPMQSGJ-UHFFFAOYSA-N	315.757	1.804	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@H](c2cccs2)N(C)C)cc[nH]1	874997842	YNXSEZDCQFNYKC-CYBMUJFWSA-N	319.434	1.802	50	20	DDGD	
Cc1ccncc1NC(=O)C(=O)NNc1nccnc1C(C)C	773993396	TZZBIOSZXSDAEB-UHFFFAOYSA-N	314.349	1.385	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)c1cc(O)nc(C2CC2)c1	770208688	LUZGXTKQWLWMLY-UHFFFAOYSA-N	315.304	1.879	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)c1ccccc1O)c1ccccc1	776106266	IGTSEQHPPFNFMJ-QGZVFWFLSA-N	314.341	1.715	50	20	DDGD	
C#CCCCC(=O)NNC(=O)COCc1cccc(Cl)c1	887150779	WWFGPNCOPDESTO-UHFFFAOYSA-N	308.765	1.808	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNc2ncccn2)c(F)c1	775599905	CTBKDGMYROFEGI-UHFFFAOYSA-N	305.269	1.551	50	20	DDGD	
C#CCCCC(=O)NNC(=O)COC[C@H](C)c1ccccc1	887150837	ZJHPQWBSQFSTOE-AWEZNQCLSA-N	302.374	1.758	50	20	DDGD	
COc1ccnc(NNC(=O)c2c(C)cccc2[N+](=O)[O-])n1	770824685	PQDKPSMZINLPFD-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
CN(C)[C@@H](C(=O)NNc1ccc(F)c(F)c1)c1cncn1C	885114255	WQVXWAUKSBBTMZ-CYBMUJFWSA-N	309.320	1.444	50	20	DDGD	
Cc1ccc(F)c(C(=O)NNc2nc(O)c3cnn(C)c3n2)c1	770980669	SOLJFRIPJXSJFR-UHFFFAOYSA-N	316.296	1.273	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)CCCCl)C[C@@H](C(F)(F)F)O1	881959871	DIPMGGFQRMGNHZ-SFYZADRCSA-N	309.737	1.597	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cnoc1C(C)C	1123560790	RRAOWUXWXQYZMD-UHFFFAOYSA-N	303.318	1.881	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1c(F)cc(F)cc1F)C(C)C	885150573	BGWQUSWMYRPZLU-JTQLQIEISA-N	319.283	1.928	50	20	DDGD	
CCN1CC[C@H](N(C)S(=O)(=O)CBr)C[C@@H]1C	782456253	XOJQVZBNUGDSIK-UWVGGRQHSA-N	313.261	1.473	50	20	DDGD	
O=C(O)[C@@H]1CCN1S(=O)(=O)c1ccc(CCCCl)cc1	787933793	KEOHPYSUKRDRAT-LBPRGKRZSA-N	317.794	1.706	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cccc(C#N)c2)cc1	783022356	NZVPLOKNJCYQPD-UHFFFAOYSA-N	310.313	1.649	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)c1cc2n(n1)CCCC2=O	898701195	ZDVHFAMTOUEALG-UHFFFAOYSA-N	318.308	1.764	50	20	DDGD	
NC(=O)[C@H](Cc1ccc(F)cc1)NNC(=O)c1ccccc1	784061580	QFMWQNMJXYPQIL-AWEZNQCLSA-N	301.321	1.157	50	20	DDGD	
CSSCCNC(=O)NCc1nc(C(F)(F)F)no1	894684065	GATSYMBYTQBUQX-UHFFFAOYSA-N	316.330	1.899	50	20	DDGD	
C#Cc1ccc(C(=O)NN(C)C(=S)NCCCOC)cc1	899993045	PVHKNYZLKXBLBL-UHFFFAOYSA-N	305.403	1.156	50	20	DDGD	
O=C(Cn1nnc(-c2ccccc2)n1)NN=C1CCC12CCC2	799866821	VHLFQGOBRZBUSO-UHFFFAOYSA-N	310.361	1.776	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)c2cccc(C)n2)c(C)c1	794598668	LXAXYRQNNKHQLF-UHFFFAOYSA-N	319.386	1.630	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)Nc2cccc3c2CCO3)cc1	797019784	JKNWFOUQMQYBOO-UHFFFAOYSA-N	322.324	1.575	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(F)cc1)c1nnnn1C1CC1	790715741	AMQOUVBMRWZCIU-QMMMGPOBSA-N	305.317	1.534	50	20	DDGD	
COc1cc(C)cnc1C(=O)NNC(=O)c1ccccc1F	792561758	HUULXULUEWSJFW-UHFFFAOYSA-N	303.293	1.613	50	20	DDGD	
COc1cncc(C(=O)NNc2ccc(C(F)(F)F)nn2)n1	790819430	YVPOIFWIBFRESF-UHFFFAOYSA-N	314.227	1.051	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C1CC[C@@H](C)C[C@@H]1n1cncn1	794514760	NEHJBHOXYKZZFF-RNCFNFMXSA-N	301.354	1.457	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)c1cc(Cl)ccc1O	794901125	DGEYRUOUQPPQHA-IUCAKERBSA-N	324.764	1.812	50	20	DDGD	
Cn1ccnc(NNC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1=O	1319057466	JHRSYTLALZUEJF-UHFFFAOYSA-N	323.696	1.099	50	20	DDGD	
C[S@@](=O)c1ccc(C=NNC(=O)c2ccc(N)cc2)cc1	1318933472	LUFLGISQKNIEMZ-OAQYLSRUSA-N	301.371	1.770	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccc(Cl)c(Br)c1	1319838950	VTIQIWSHJGJLLV-UHFFFAOYSA-N	319.542	1.726	50	20	DDGD	
Cc1cc(C)n2ncc(C(=O)NNC(=O)CC3CCCC3)c2n1	1318116304	LEFJPOKMGNDLGQ-UHFFFAOYSA-N	315.377	1.687	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cn(C)nc1-c1ccoc1	1320973177	GUTBOGXZGOMTIL-UHFFFAOYSA-N	307.379	1.197	50	20	DDGD	
CN[C@H](C)CCNC(=O)NNC(=O)Nc1ccc(Cl)cc1	1325323889	KSFIHOLOAIFKAF-SECBINFHSA-N	313.789	1.674	50	20	DDGD	
CC[C@H]1CCC[C@H]1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1326416079	AMHBYEHKNNKTFX-WDEREUQCSA-N	304.394	1.876	50	20	DDGD	
COC(=O)c1cc(CNC(=O)NNc2ccc(C)nn2)oc1C	1322550701	VFVSPRVWUDECMU-UHFFFAOYSA-N	319.321	1.299	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cc(Cl)ccc1O)n1ccnc1	1324413759	MKCXSARMJPQNJM-MRVPVSSYSA-N	308.725	1.264	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)nc1)NC1(C(F)(F)F)CC1	1333844031	TWFOWFNBCNNHQN-UHFFFAOYSA-N	322.674	1.774	50	20	DDGD	
C[C@]1(C(=O)N2CC[C@@]3(CCOC3=O)C2)C[C@@H]1Br	1337620762	RBRCTQZEDAGMTR-KPXOXKRLSA-N	302.168	1.326	50	20	DDGD	
C=CCN(C(=O)C(=O)NC[C@]1(C)C[C@H]1Br)C(C)C	1261769921	JXZAILRBFOFTIE-MFKMUULPSA-N	317.227	1.699	50	20	DDGD	
Cc1ncncc1C(=O)NNc1cncc(Br)c1	1341241563	NLMKCHOHRKIPGU-UHFFFAOYSA-N	308.139	1.699	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cc(C(C)(C)C)nn1C	1349121047	ZONFWDAOFSWTBY-NXEZZACHSA-N	323.397	1.295	50	20	DDGD	
Cn1nc(C2CC2)cc1CNC(=O)NNc1ncncc1Cl	1340868870	SWAUFQKRKRCGIK-UHFFFAOYSA-N	321.772	1.567	50	20	DDGD	
CC1CCN(CCC(=O)NNC(=S)NC2(C)CCC2)CC1	1348489245	XNAHPIAZEMCDCX-UHFFFAOYSA-N	312.483	1.546	50	20	DDGD	
NC1(CNC(=O)NNC(=O)Cc2cccc3ccccc23)CC1	1357681683	VHMGTZGIPVHREI-UHFFFAOYSA-N	312.373	1.204	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)c1nc2ccccc2s1	1353790985	WJDFWLOGZUWWDY-GXSJLCMTSA-N	319.386	1.872	50	20	DDGD	
CC(C)[C@H](C(=O)O)C(=O)NNc1ccnc(C(F)(F)F)c1	1602970318	PSZQZQWBQURPEY-VIFPVBQESA-N	305.256	1.900	50	20	DDGD	
O=C(NCCCN1CCCC1)NNc1cccc(C(=O)O)c1F	1601497676	XTQBPJSJWPEDQW-UHFFFAOYSA-N	324.356	1.636	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)C23CC(C(F)(F)F)(C2)C3)nc1	1602385540	XOPUGITZYLDUJC-UHFFFAOYSA-N	315.251	1.956	50	20	DDGD	
Cc1cc(=NC(=O)NNc2ccc(C(=O)O)c(F)c2)cc[nH]1	1600270949	UNINNZDAIKLEGB-UHFFFAOYSA-N	304.281	1.798	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@H](O)Cc2ccccc2)c1	1602448850	VOJIMZBFDUJROZ-AWEZNQCLSA-N	300.314	1.432	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)C2(O)CCSCC2)cc1	1602138758	UGUWLONXHGXQPG-UHFFFAOYSA-N	310.375	1.015	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@@H]2CCC[C@H]2CC(=O)O)cn1	1600944743	BUBHAWUNKVCQGU-JNPKVAQKSA-N	302.334	1.087	50	20	DDGD	
O=C(Cc1c[nH]c2cnccc12)NNc1cccc(C(=O)O)c1	1601353888	ZZLISJADEJCCTC-UHFFFAOYSA-N	310.313	1.947	50	20	DDGD	
Cn1cc(Cl)c(C(=O)NNc2cccc(C(=O)O)c2F)n1	1600957358	YWHYNKJLJOTRBA-UHFFFAOYSA-N	312.688	1.668	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)ccc1C(=O)O	1600185634	SRDUVDJWWMMDCW-KWCYVHTRSA-N	302.330	1.711	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)NNc1ccc(F)c(C(=O)O)c1	1609598965	AOUDQFLAQVPQOJ-ZDUSSCGKSA-N	323.324	1.368	50	20	DDGD	
N[C@H]1CCC[C@@H](NC(=O)NNc2ccc(C(=O)O)cc2F)C1	1610643906	WUZXXGOVHQHAOZ-VHSXEESVSA-N	310.329	1.420	50	20	DDGD	
C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@](C)(Cl)CCl)C2	1801600059	WNHHTVVDRYOPDI-MIJXAVMKSA-N	317.216	1.494	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ccc(C(=O)O)s1	1610219194	KMKRFCGSOFANOX-UHFFFAOYSA-N	320.326	1.990	50	20	DDGD	
Cc1cc(C(=O)NN=C[C@H]2CCCO[C@H]2c2nccn2C)n[nH]1	1552448638	GEPOFEDXURANST-DGCLKSJQSA-N	316.365	1.335	50	20	DDGD	
CNNC(=O)[C@@H]1C[C@H](C(F)(F)F)CN1C(=O)OC(C)(C)C	1578745478	WRIBAFDDVHSYBL-YUMQZZPRSA-N	311.304	1.425	50	20	DDGD	
O=C(Cc1cccs1)NNc1ccc(-c2nn[nH]n2)cn1	1582157157	LWQDYLKUDLVKCY-UHFFFAOYSA-N	301.335	1.009	50	20	DDGD	
CC(C)O[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1844327693	DNXRISAIBJLKST-WDEREUQCSA-N	320.792	1.538	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)c1n[nH]cc1F	1582562035	HICBJHXYENHDNM-UHFFFAOYSA-N	322.691	1.139	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCCO1)C2	1845167719	QYVAZLRGCCYOBK-NEPJUHHUSA-N	314.813	1.386	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CC)C1	1841278851	KOEVBCCRFZAWAY-NWDGAFQWSA-N	316.829	1.368	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(C(=O)O)c(F)c2)nn1	1599484072	OLPIMBWYRIPPJC-UHFFFAOYSA-N	306.253	1.079	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C(=O)O)c1cc(F)ccc1F	1596864988	YTBZPRRKZFUNOR-GUOLPTJISA-N	310.256	1.651	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@](C)(C(=O)O)c1ccccc1	1591765243	QSQBONOUQMDCFB-DMIOIOJGSA-N	302.330	1.589	50	20	DDGD	
C[C@@H]1[C@@H](Cl)[C@H]1CN(CCC(=O)O)CC(=O)OC(C)(C)C	1594187755	KXRJPEDYEAYMIB-OUJBWJOFSA-N	305.802	1.978	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@H]1CCO[C@@H](C)C1	1599376611	XGNLXUUEGJGFPC-VHSXEESVSA-N	308.334	1.652	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)[C@]1(C(=O)O)C[C@H]2CC[C@H]1C2	1594474466	DZTVIQXCSXGTMW-FZNYLWTLSA-N	323.374	1.104	50	20	DDGD	
CC(C)(C)OC(=O)N(CCO)N=Cc1ccccc1C(=O)O	1776110757	RDVOTFGFYMKMIH-UHFFFAOYSA-N	308.334	1.948	50	20	DDGD	
CO/C=C(\C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Cl)C2	1798301228	NPUNYWMRDDZIEX-ZKSOADNESA-N	318.776	1.709	50	20	DDGD	
C[C@@H](C(=O)NNc1nc(C(F)(F)F)cs1)S(C)(=O)=O	152974672	URDKSSFDADWSBD-BYPYZUCNSA-N	317.314	1.038	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2ccc(C#N)cn2)n1	155796167	TXOYKYWSTUXOEL-UHFFFAOYSA-N	311.349	1.346	50	20	DDGD	
Cc1nnc(CC(=O)N(C)NC(=O)OCc2ccccc2)o1	862288841	RQPDHPGXNUNCEV-UHFFFAOYSA-N	304.306	1.220	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)c2ccncc2)cc1	1668705	PIMVMQSVDJYZJO-UHFFFAOYSA-N	300.318	1.947	50	20	DDGD	
CNC(=O)NNC(=O)c1cn(C)nc1-c1ccccc1Cl	108786290	RUKXKEZZGFNINM-UHFFFAOYSA-N	307.741	1.314	50	20	DDGD	
CC(=O)NNC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1	55289080	QLPZKNSHQGOINN-UHFFFAOYSA-N	316.361	1.960	50	20	DDGD	
CC(C)CC[C@H](C)NC(=O)NNC(=O)CNC(=O)c1ccco1	101619534	VJGBQJOZTQHGNA-NSHDSACASA-N	324.381	1.165	50	20	DDGD	
O=C(C[C@H]1OCCc2ccccc21)NNC(=O)c1cccnc1	115315561	MRRZMMAJBZCPJM-OAHLLOKOSA-N	311.341	1.547	50	20	DDGD	
CCc1cccc(NC(=O)CNC(=O)NNc2cccnn2)c1	172457090	JBMGXHYVYPYCDL-UHFFFAOYSA-N	314.349	1.304	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@@H]1CCC[C@@H]1C	104811167	WHFURRGDRGBLRP-WCQYABFASA-N	305.378	1.757	50	20	DDGD	
CC(C)[C@H](CC1CCCCC1)C(=O)NNC(=O)C(=O)NC1CC1	115320935	PZWGROQBCIVGQX-AWEZNQCLSA-N	323.437	1.655	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@@H](C)CCN(C)C	62504862	CVZINQNQKUEVLO-LBPRGKRZSA-N	307.398	1.671	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F	116194997	QPLABLZAILJKCY-DTWKUNHWSA-N	320.299	1.561	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cccc(OCC(C)C)c1	65207586	DEBVDDMZKVDQFZ-UHFFFAOYSA-N	323.393	1.702	50	20	DDGD	
CO[C@H](C)C(=O)NNC(=O)c1cc(F)ccc1Br	171338589	AXJAFGZLUPSRRR-ZCFIWIBFSA-N	319.130	1.384	50	20	DDGD	
C=CCCCCNC(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1347968071	RVYSZUDXXFNMFM-MFKMUULPSA-N	317.227	1.749	50	20	DDGD	
O=C(NNC(=O)C1(O)CCC1)c1cc2c(s1)CCCCC2	119700985	CPWGMHKKZZYGJA-UHFFFAOYSA-N	308.403	1.693	50	20	DDGD	
COc1ccc(C(=O)NNC=C(C#N)C#N)cc1Br	110588061	IHEAHKVDQNOCLQ-UHFFFAOYSA-N	321.134	1.623	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H]1C[C@H]1C1CC1	175823826	GFBKJQUPFLZNIR-KBPBESRZSA-N	302.374	1.821	50	20	DDGD	
O=C(NCC1CC1)NNC(=S)Nc1ccc(F)cc1F	64937199	WKLYWIZUHNKTPY-UHFFFAOYSA-N	300.334	1.875	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NC[C@@H]1CCCO1)c1ccccc1	65146555	UOMNPGFMMQASSG-ZDUSSCGKSA-N	305.378	1.474	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCc2ccco2)c1[N+](=O)[O-]	65176579	KCDJPHTUHTXNKA-UHFFFAOYSA-N	318.289	1.640	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cnn1C	120784375	SIIAATJUMNSXHH-JTQLQIEISA-N	320.324	1.096	50	20	DDGD	
O=C(NNc1ncccn1)c1ccc(C(=O)c2cc[nH]c2)cc1	176017177	GRDVIMBJLJAUHU-UHFFFAOYSA-N	307.313	1.793	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NNC(=O)c1cc2ccccc2o1	176490435	ZRCVJGYGNYRRTC-UHFFFAOYSA-N	318.333	1.454	50	20	DDGD	
Cc1ccnc(NNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)c1	176743637	NZKFPJTZYDMJBS-UHFFFAOYSA-N	301.306	1.946	50	20	DDGD	
CCN(CC)c1ccc(C(=O)NNC(=O)c2c[nH]nc2C)cc1	121355973	IINRLUOZPAQPAB-UHFFFAOYSA-N	315.377	1.639	50	20	DDGD	
CCCCNC(=O)NNC(=O)CNc1ccccc1[N+](=O)[O-]	65897825	KFQNDQDMIRVVOB-UHFFFAOYSA-N	309.326	1.137	50	20	DDGD	
O=C(NNc1c(F)cccc1F)N[C@@H]1CCc2[nH]ncc2C1	122097701	XCWCMJVTYCMNAX-SECBINFHSA-N	307.304	1.872	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCc1nc2ccccc2[nH]1	73134964	GQSQXQAHFQTSLY-UHFFFAOYSA-N	311.345	1.295	50	20	DDGD	
CCc1ccc([C@H](C)CC(=O)NNC(=O)c2cnn(C)c2)cc1	120970285	AHUHCMVGBPXYAJ-GFCCVEGCSA-N	314.389	1.937	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1c(C)cc(N(C)C)cc1C	183343022	ORGPYTXUANWBDL-UHFFFAOYSA-N	308.382	1.559	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H]2COCCO2)cc1	32671696	MIHABDLZZSTJJE-CYBMUJFWSA-N	306.362	1.161	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2nc(C)cs2)c(O)c1	126476443	IVAYWDVYERMQBP-UHFFFAOYSA-N	306.347	1.932	50	20	DDGD	
CC(C)CCn1ccc(NC(=O)C(=O)NNc2ccccn2)n1	181405391	AUYFRJCSQSFPAL-UHFFFAOYSA-N	316.365	1.406	50	20	DDGD	
COc1ccsc1S(=O)(=O)NNC(=O)CC(C)(C)C	121392566	OGGXRPCUVYZSAL-UHFFFAOYSA-N	306.409	1.502	50	20	DDGD	
CC(=O)Nc1ccc(CNS(=O)(=O)CBr)cc1	127083644	IRXWLAAUTDOPLD-UHFFFAOYSA-N	321.196	1.417	50	20	DDGD	
COCc1cccc(C(=O)NNC(=O)NCC(F)(F)F)c1	124639818	NFIOINDFZLXUGH-UHFFFAOYSA-N	305.256	1.339	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H](C(C)C)N(C)C)cc1	129838124	OGEAQYAFQXIISL-HNNXBMFYSA-N	306.410	1.141	50	20	DDGD	
C=C[C@](C)(CCOC)C(=O)NNC(=O)Cc1ccccc1OC	188356012	AOCJMIOFBHRFGU-QGZVFWFLSA-N	320.389	1.614	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21	189584558	JJAOORVDRTUCNT-UTUOFQBUSA-N	316.365	1.313	50	20	DDGD	
Cc1cnc(NC(=O)NNC(=O)c2cccc(N(C)C)c2)s1	194752893	WCDPKFAZKPJYDK-UHFFFAOYSA-N	319.390	1.984	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc2ccccc2nc1C	194443442	JBZVJMSAAJUCOZ-UHFFFAOYSA-N	316.361	1.524	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C[C@H]1CCCO1	46755766	VBKWZGBADPCFHI-ZWNOBZJWSA-N	310.325	1.310	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccncc2Cl)c(O)c1	80753283	CAAFUJZKNAAFOG-UHFFFAOYSA-N	305.721	1.824	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)NC1CCCCC1	194313646	HHHPRCUDKCVSAY-ZDUSSCGKSA-N	324.425	1.441	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1cc2ccccc2o1	131754345	KJELKVJCAYHORH-UHFFFAOYSA-N	311.363	1.725	50	20	DDGD	
CCNC(=O)CCCC(=O)NN=c1sc2ccccc2n1C	255356602	WVKIYVLJVMRNIS-UHFFFAOYSA-N	320.418	1.478	50	20	DDGD	
COC(=O)COc1ccc(C=NNC(=O)c2ccncc2)cc1	254837303	URHBQWZJGBTFQG-UHFFFAOYSA-N	313.313	1.397	50	20	DDGD	
C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NNC(=O)c1ccccc1F	268171906	QTWCLWMNVXGXJU-IINYFYTJSA-N	320.368	1.252	50	20	DDGD	
CO[C@H](C)CCNC(=O)NNC(=O)c1cccc(N(C)C)c1	263826000	ZPJVSSBTOSNFIT-LLVKDONJSA-N	308.382	1.122	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)nc(C)n1	265570573	WABQHGYXUWALGO-VIFPVBQESA-N	309.370	1.450	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)N[C@@H]2CCSC2)cc1	266523390	IDUZIVRQXFKAHV-GFCCVEGCSA-N	323.418	1.464	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C)c1cccc(Cl)c1	266051352	RTASRCNBNKIUJD-VIFPVBQESA-N	311.769	1.116	50	20	DDGD	
C[C@@H]1CCC[C@@H](NC(=O)NNC(=O)COc2ccccc2O)C1	264551537	CWAOSPRHWBWSMI-VXGBXAGGSA-N	321.377	1.680	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccccc1-c1noc(C)n1	367450006	ZHTDJZVBPQOGRH-UHFFFAOYSA-N	305.294	1.828	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)CC[C@@H](C)OC)cc1	272775146	ACFUFBCXQUYCRS-LLVKDONJSA-N	309.366	1.070	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(-c2ncn(C)n2)cc1	364284406	VWGRSSMYCFVEPE-UHFFFAOYSA-N	304.310	1.265	50	20	DDGD	
O=S(=O)(CBr)N1CCSc2ccncc21	272846182	UOPBYHHUYLOOKS-UHFFFAOYSA-N	309.210	1.676	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2cnc3n2CCCC3)o1	375151205	TZPSNCHAXGYHPW-UHFFFAOYSA-N	317.349	1.265	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@]2(C)CCCOC2)cc1	272648297	DYAIQEYLCIMAHL-MRXNPFEDSA-N	305.378	1.371	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNc2nc3ccccc3c(=O)n2C)O1	282714615	LQFFDBPCESHSQK-BREBYQMCSA-N	316.361	1.190	50	20	DDGD	
CC(C)(C)CCCCC(=O)NNC(=O)CNC(=O)c1ccco1	286237932	ULGXTIZRJRKKCA-UHFFFAOYSA-N	323.393	1.763	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCC2(C3CC3)CCC2)n1	280216494	IQJKLDVRTDPQAI-UHFFFAOYSA-N	302.378	1.914	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cccc(N2CCC2=O)c1	280452856	KZNUNNMSGWUDJR-UHFFFAOYSA-N	304.350	1.622	50	20	DDGD	
CS(=O)(=O)Nc1ccccc1C(=O)NCC(Cl)Cl	288345771	WOXNLLJJMPGSNR-UHFFFAOYSA-N	311.190	1.592	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CNCC(F)(F)F	280851367	AIRRJWZGBXNTFP-UHFFFAOYSA-N	304.272	1.300	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)[C@H]1CCCCS1(=O)=O	293691171	MIUPUEREZZEGDR-MRVPVSSYSA-N	303.771	1.145	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C[C@H]1COc2ccccc2O1	294320503	JXMASGVREQOCSN-JTQLQIEISA-N	308.334	1.772	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1nc([C@H](C)OC)ns1	809926526	YNALDLACVDYPCC-RQJHMYQMSA-N	301.372	1.444	50	20	DDGD	
Cc1nn(C)c2nc(C3CC3)cc(C(=O)NNC(=O)N(C)C)c12	299385613	PLYIBCLFAUPTQV-UHFFFAOYSA-N	316.365	1.070	50	20	DDGD	
COc1nnccc1NC(=O)NNC(=O)Cc1ccccc1C	808902071	QJJRARZLKSYOHE-UHFFFAOYSA-N	315.333	1.189	50	20	DDGD	
CCCC(=O)N1CCCC[C@@H]1C(=O)NNc1ncncc1F	293848566	BPRRYUSFHOYNMY-LLVKDONJSA-N	309.345	1.240	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2nc3cccnc3s2)n1	801164684	XOLVQYCDZKYMIL-UHFFFAOYSA-N	316.346	1.555	50	20	DDGD	
COCCN(C)NC(=O)CCc1cccc(OC(C)(C)C)n1	294428180	OSNQHGAUUYQIOG-UHFFFAOYSA-N	309.410	1.801	50	20	DDGD	
CCOc1ccc(CCC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	294260329	OPIAATNZWDWFOI-WFASDCNBSA-N	320.389	1.733	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNC(=O)CNc1ccc(C)cc1	290003661	LJIJHQRIAPPBAO-GFCCVEGCSA-N	321.377	1.144	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1ccc2[nH]ccc2c1	296485945	PHQWJHMTWWJBPY-ZDUSSCGKSA-N	302.334	1.890	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](C(=O)OC)c1ccc(OC)cc1	295646384	CCEYGZURNANSCJ-IEZBTEQYSA-N	318.329	1.469	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2cnccn2)n1	807946622	YPEVBLUFHXJHCC-UHFFFAOYSA-N	302.363	1.126	50	20	DDGD	
Cc1ncc2n1CC[C@@H](C(=O)NNc1ncccc1Cl)C2	291438345	ZDSICHWTJLCXGI-SNVBAGLBSA-N	305.769	1.946	50	20	DDGD	
CCC[C@H](C(=O)NNC(=O)Cc1cc[nH]n1)c1ccccn1	806808731	LXUAUCYVJWWALN-LBPRGKRZSA-N	301.350	1.079	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccnc(C(F)(F)F)c1	808385056	INPMCZYJDNPEHR-UHFFFAOYSA-N	315.173	1.814	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)c2ccnc(O)c2)cc1	802122964	GAZVQVHSPBBOCH-UHFFFAOYSA-N	315.333	1.320	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)Cc2ccc(F)cc2)cn1	814756852	BAMYUWFVCOZOMT-UHFFFAOYSA-N	301.325	1.375	50	20	DDGD	
O=C(NNc1ncncc1F)c1n[nH]c2ccc([N+](=O)[O-])cc12	817077079	DRRRGLFGTPHXGZ-UHFFFAOYSA-N	317.240	1.157	50	20	DDGD	
CC(=NNC(=O)NC(C)C)c1ccc(N2C(=O)CCC2=O)cc1	814219313	LOWQAACQYBNXQF-UHFFFAOYSA-N	316.361	1.772	50	20	DDGD	
CCc1cc(NC(=O)NNc2cc(Cl)nc(N)n2)nn1C	817333786	WDQXJULRZCRWRY-UHFFFAOYSA-N	310.749	1.157	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2conc2Cc2ccccc2)cn1	814852123	LCANSFDZCURQOE-UHFFFAOYSA-N	309.329	1.763	50	20	DDGD	
CCC1(CC)C(=O)NCCC1=NNC(=O)Cc1cc(C)[nH]n1	819803529	QRHPYYFIXDIARP-UHFFFAOYSA-N	305.382	1.059	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=S)NC1CCC1	814191213	IEKJHYJXBRBVHH-UHFFFAOYSA-N	309.391	1.122	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)C(C)(F)F)n[nH]2)cc1	815027505	RZCBXYNFNWFMGA-UHFFFAOYSA-N	308.288	1.801	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)C(=O)Nc2ccc(C#N)cn2)c1	815588769	YMPRCZDOBBSVLK-UHFFFAOYSA-N	309.329	1.652	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ncc(C#N)cc2C)c1	816017157	SCHCSXVHAWUYNC-UHFFFAOYSA-N	310.313	1.805	50	20	DDGD	
COc1ccc(OC(F)F)c(C=NNC(=O)Cc2cc[nH]n2)c1	814956439	XMMCGWWGYSHDRK-UHFFFAOYSA-N	324.287	1.713	50	20	DDGD	
C[C@@H]1C(=NNC(=O)c2ccnc(N(C)C)c2)CC[C@@H]1CC(=O)O	814844495	LDBFXLGOMFIBAM-WDEREUQCSA-N	318.377	1.754	50	20	DDGD	
Cc1ccc(S(C)(=O)=O)cc1C(=O)NNc1ncncc1F	817078923	ABFHLSKSBGZSPG-UHFFFAOYSA-N	324.337	1.085	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1	728170136	IHHWJJSPMFOKAI-ZDUSSCGKSA-N	302.334	1.304	50	20	DDGD	
C[C@H]1CCCC[C@@H]1C(=O)NNC(=O)CNC(=O)c1cccs1	819213024	HEWVKLBFBXPKHT-QWRGUYRKSA-N	323.418	1.452	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)nc1	728796728	OTJZGYAZKOZBGC-UHFFFAOYSA-N	310.269	1.046	50	20	DDGD	
COc1ccnc(NNC(=O)CSc2ccc(C#N)cc2)n1	728516439	PIEWOPSNTCTQNN-UHFFFAOYSA-N	315.358	1.592	50	20	DDGD	
COc1cccc(S(=O)(=O)NNC(=O)CC(C)(C)C)c1	728509428	MUVCCKMUGUVQOQ-UHFFFAOYSA-N	300.380	1.441	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNC(=O)CCc1ccccc1)C(C)(C)C	822934804	JKHRBOLBAAYPQQ-OAHLLOKOSA-N	319.405	1.317	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCCc2cc(Cl)ccc21	828123030	QSSSEMOXNJHFSE-UHFFFAOYSA-N	309.797	1.896	50	20	DDGD	
CCn1cc(C(=O)NNc2cccc(F)c2C(=O)OC)c(C)n1	822735875	ITNSICJFHQCCPC-UHFFFAOYSA-N	320.324	1.894	50	20	DDGD	
CCCC[C@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)OC	491014569	XXIZDJBZHDYARQ-WHGQRRHOSA-N	304.350	1.175	50	20	DDGD	
CN(C)CC[C@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(C)(C)C	491133148	OMYHTOMSLCRLRR-HNRFISLBSA-N	317.437	1.810	50	20	DDGD	
CCN(Cc1ccccc1)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	827314668	INPHYYQDSHUNRL-OCCSQVGLSA-N	305.378	1.674	50	20	DDGD	
COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCSSC	496144310	WPFLIAWGJNPNLY-VIFPVBQESA-N	324.468	1.654	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cc(C2CC2)[nH]n1	826446838	ASRQOSOKWIUNSC-UHFFFAOYSA-N	310.321	1.224	50	20	DDGD	
COC(=O)NCCC(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	496386986	RSWYESJVYZAUJR-UHFFFAOYSA-N	316.701	1.437	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc2cnn(C(C)C)c2nc1C	490579413	SCNKEQXDWPAEKF-UHFFFAOYSA-N	305.338	1.712	50	20	DDGD	
CCOC1(CNC(=O)/C(C#N)=C/c2cnn(C)c2)CCCC1	491176473	PUSHFAVZBPJBCD-RIYZIHGNSA-N	302.378	1.793	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1n[nH]c(C)c1[N+](=O)[O-]	729356161	CHMFOXGPMCYEEC-UHFFFAOYSA-N	322.233	1.762	50	20	DDGD	
COC(=O)[C@H](CC(C)C)NC(=O)/C(C#N)=C/c1cnn(C)c1	491100245	ADZXABOMVXZBJT-UWUHSAQLSA-N	304.350	1.031	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1	823951323	JXSGUNVSMCJWTD-SNVBAGLBSA-N	315.377	1.307	50	20	DDGD	
C[C@@H]1CC[C@@H](CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1	494538683	JDRCZQGWCMIDDC-GHMZBOCLSA-N	313.398	1.485	50	20	DDGD	
CC(C)[C@@H](C=NNC(=O)CN(C)C)CNC(=O)OC(C)(C)C	492456971	NGFYWXJZBOZYIV-GFCCVEGCSA-N	314.430	1.447	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCCOc3c(F)cccc32)o1	585034222	NOFLIFWIWFSWRH-ZDUSSCGKSA-N	305.114	1.102	50	20	DDGD	
CN(C)c1cccnc1CNC(=O)[C@@]1(C)C[C@@H]1Br	908276015	CFISQWNKEACDHW-AAEUAGOBSA-N	312.211	1.937	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1cc(Cl)ccc1Cl	495326076	FPYFOCGCXAEWOW-UHFFFAOYSA-N	306.105	1.319	50	20	DDGD	
Cc1c(Br)cccc1CC(=O)NN(C)[C@H](C)CO	823928257	LVCVYRXKDWYTRN-SECBINFHSA-N	315.211	1.644	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNc2cccnn2)CCN1C(=O)OC(C)(C)C	492190575	VTNBFVLFABFUDN-GHMZBOCLSA-N	321.381	1.565	50	20	DDGD	
CN(CC1(c2ccccc2)CC1)C(=O)c1cccc(B(O)O)c1	584978243	WIGVCDJLNQRXRZ-UHFFFAOYSA-N	309.174	1.170	50	20	DDGD	
COCC(=O)NN=Cc1ccc(CNC(=O)OC(C)(C)C)cc1	901198707	OKQDCCLZANODAJ-UHFFFAOYSA-N	321.377	1.808	50	20	DDGD	
CCOC(=O)[C@@H](CC(=O)NNc1ccccc1Cl)C(C)=O	830785952	FGOTYNYCRJZSKV-JTQLQIEISA-N	312.753	1.942	50	20	DDGD	
O=C(c1cccnc1SC(F)(F)F)N1CC[C@H](B(O)O)C1	585072277	KZQCQYJSIWLOAM-ZETCQYMHSA-N	320.101	1.382	50	20	DDGD	
COC(=O)c1ccc(C(C)=NNC(=O)C(=O)NC(C)C)c(C)c1	905433322	XFHTUTZODLZNPI-UHFFFAOYSA-N	319.361	1.146	50	20	DDGD	
CC(C)(CC(=O)O)NS(=O)(=O)c1ccc(CCCl)cc1	736317242	ONCMUWULMWZONO-UHFFFAOYSA-N	319.810	2.000	50	20	DDGD	
CC(C)[C@@]1(C)C[C@H]1NC(=O)NNC(=O)COc1ccccc1F	838767537	RPKRHPMGBGLSNO-CZUORRHYSA-N	323.368	1.970	50	20	DDGD	
CC(C)(CC(F)(F)F)c1nc(-c2ccc(B(O)O)cc2)no1	585051429	GAGVTXTZUNNPNF-UHFFFAOYSA-N	314.072	1.646	50	20	DDGD	
CN1CCO[C@H](C(=O)NNc2cccc(C(F)(F)F)c2)C1=O	901161566	DEWWRJFNRAVERS-SNVBAGLBSA-N	317.267	1.006	50	20	DDGD	
CCO[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)Cc1cccnc1	836277437	BUYPGLOVJVLANI-ZIAGYGMSSA-N	320.393	1.302	50	20	DDGD	
C[C@H]1C[C@H](c2nc(-c3cccc(B(O)O)c3)no2)C[C@@H](C)O1	585053775	PWKLUJNVUSQFKN-PEGIJTEDSA-N	302.139	1.087	50	20	DDGD	
Cc1cccc([C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C2)c1	584976256	QBKYJAVJZGYMFU-MRXNPFEDSA-N	309.174	1.305	50	20	DDGD	
O=C(c1cc(-c2cccc(Cl)c2)on1)N1CC[C@@H](B(O)O)C1	585070005	VAHXTLUZJLSGCP-SNVBAGLBSA-N	320.541	1.684	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNc1cnnc2ccccc12	839683990	LNMMONVIHGLTKB-LLVKDONJSA-N	301.350	1.221	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@H]2C(=O)O)cc1	737204442	YCEIWERJAOCJEZ-GHMZBOCLSA-N	323.374	1.124	50	20	DDGD	
Cc1cccnc1NNC(=O)C1CN(C(=O)C2CCCCC2)C1	836786869	WSYDTJLEFMCNTP-UHFFFAOYSA-N	316.405	1.872	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cc3n(n2)CCC3)cc1	831939747	DWSPUAZHJHRORJ-UHFFFAOYSA-N	315.333	1.304	50	20	DDGD	
Cc1ccc(NNC(=O)CN2CCCS2(=O)=O)c(Cl)c1	836938401	NAJVENJPIQIGMK-UHFFFAOYSA-N	317.798	1.127	50	20	DDGD	
CC(=O)N1CC(C(=O)NNc2cccc(Cl)c2Cl)C1	838351129	VQAHNKXXSKZSFG-UHFFFAOYSA-N	302.161	1.915	50	20	DDGD	
O=C(N[C@@H]1CCC[C@H]2CCCC[C@H]21)c1cccc(B(O)O)c1	584993352	QKRUAMCHBPIXMW-DAXOMENPSA-N	301.195	1.455	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)C1(N(C)C)CC1	831418233	KTPCCSBVWRYBAS-UHFFFAOYSA-N	323.418	1.029	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=Cc1ccc(C(N)=O)cc1	915949005	ZGFIIPBXOTXGFI-UHFFFAOYSA-N	322.324	1.186	50	20	DDGD	
CN(C)c1ccc(CCC(=O)NNC(=O)CC(F)(F)F)cc1	918366297	VSJFPQOSSOCAOH-UHFFFAOYSA-N	317.311	1.785	50	20	DDGD	
CCn1c(NNC(=O)C2(NC)CCC2)nc2ccccc2c1=O	912078363	SQBLYGIUQIYOMQ-UHFFFAOYSA-N	315.377	1.002	50	20	DDGD	
CC[C@@H](O)[C@H](C)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	913824555	UUGGABNXWZQQAN-GXFFZTMASA-N	324.450	1.477	50	20	DDGD	
O=C(NNC(=O)C1(c2ccccc2)CCCC1)c1ncon1	832825658	CMOIQZNPOLILGY-UHFFFAOYSA-N	300.318	1.343	50	20	DDGD	
C[C@@H]1CCC(C)(C)N1CC(=O)NNC(=O)c1ccc(C#N)cc1	839615284	NIWGUJMTFZQOKK-GFCCVEGCSA-N	314.389	1.582	50	20	DDGD	
N#CCc1cccc(NC(=O)NNC(=O)[C@H]2CCCCO2)c1	836763610	STUDRONFTVWHQV-CYBMUJFWSA-N	302.334	1.474	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2c[nH]nc2-c2cccnc2)n[nH]1	839411468	NXKFGXVREISSBV-UHFFFAOYSA-N	309.333	1.196	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	749758631	OWFCDAZNDCITPC-NXEZZACHSA-N	313.398	1.887	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1nc2c(s1)CCC2	747446002	CDQUWHOKMNXFSZ-UHFFFAOYSA-N	317.374	1.422	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1nccn1CC(F)(F)F	842557037	PWOHARYRRACGHY-RKDXNWHRSA-N	304.272	1.321	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1	749357609	WQKMXVTXKBZDBS-UHFFFAOYSA-N	314.349	1.313	50	20	DDGD	
CC(=NNC(=O)c1ccc(Cl)nc1)c1cc(C(N)=O)n(C)c1	915979652	XSRCCJYFAOUTEN-UHFFFAOYSA-N	319.752	1.326	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CCc1ccccc1O)C(F)(F)F	743338974	SVXUJUNOGVNFDS-QMMMGPOBSA-N	304.268	1.671	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H](C)Cc1cnc[nH]1)c1ccccc1	847482463	WLUMLFOZLZJXSW-SWLSCSKDSA-N	314.389	1.930	50	20	DDGD	
Cc1nnc2ccc(C(=O)NNc3cccc([N+](=O)[O-])c3)cn12	748004675	PNWGRXHEPIMBMQ-UHFFFAOYSA-N	312.289	1.703	50	20	DDGD	
CO[C@H](CC(=O)NNC(=O)c1ccc(C)cc1O)C(F)(F)F	846631727	CNOZREHCXQUTTF-SNVBAGLBSA-N	320.267	1.429	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1nnc(C2CC2)s1	918542518	ZNWZHPXTBPKQRN-UHFFFAOYSA-N	303.347	1.882	50	20	DDGD	
COc1cc(F)c(C=NNC(=O)Cc2cc(C)[nH]n2)cc1OC	844572118	BRJLMQNNMHRKOI-UHFFFAOYSA-N	320.324	1.567	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)COC(F)F)c1	843870669	XLWHGPZDXNJQAO-UHFFFAOYSA-N	302.281	1.462	50	20	DDGD	
COC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)C1CCC1	746782393	KZZXIRCQVLCSPO-CQSZACIVSA-N	305.378	1.375	50	20	DDGD	
CN(NC(=O)Nc1nc(C2CC2)cs1)C(=O)N1CCNCC1	841021709	FAWXTNRXCBVUEF-UHFFFAOYSA-N	324.410	1.014	50	20	DDGD	
CCC(C)(C)CC(=O)OCC(=O)NNC(=O)c1cccs1	745776290	MKIXSJYONKKBBQ-UHFFFAOYSA-N	312.391	1.879	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)[C@]2(O)CCOC2)C1	912581772	JMNBSOCDZNBKPG-WFASDCNBSA-N	315.486	1.761	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H](C)c2csnn2)n1	840459571	FUQAUNNNOYTQET-SSDOTTSWSA-N	309.355	1.032	50	20	DDGD	
COc1ccccc1CCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843649226	TXYNDPSHWFNEAC-WCQYABFASA-N	306.362	1.200	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21)c1ncccn1	841353154	SQLMVOBHQHMHIX-JHJVBQTASA-N	302.378	1.844	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cccc([N+](=O)[O-])c1	740762434	RBHQRYIEOAYYBO-UHFFFAOYSA-N	306.322	1.350	50	20	DDGD	
C[C@H](Oc1cccc(C=NNC(=O)[C@H]2CCO[C@H]2C)c1)C(=O)O	842553188	FKVZFNFNEDPLRH-MJVIPROJSA-N	320.345	1.414	50	20	DDGD	
CN(C)c1ccc(NC(=O)NN=Cc2ccc(CO)o2)cc1	741765054	MIDBEMFDSXNIBY-UHFFFAOYSA-N	302.334	1.994	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCc2cnc(C)o2)cc1	845256293	BPXYXBJBYINMEB-UHFFFAOYSA-N	318.333	1.525	50	20	DDGD	
C[C@@]1(CNC(=O)CNC(=O)N2CCCC2)C[C@@H]1Br	912827033	GMWDWHHLYLXPOQ-CABZTGNLSA-N	318.215	1.082	50	20	DDGD	
N#CSCCCNS(=O)(=O)c1ccc2c(c1)OCO2	916985642	LKURYTKNUPSWDK-UHFFFAOYSA-N	300.361	1.298	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNc1cc(F)c(F)cc1F	845857146	POZZAISPESFKML-UHFFFAOYSA-N	303.284	1.709	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=S)NC(C)(C)C	849167399	BQQATAZVMGRFOP-SKDRFNHKSA-N	323.418	1.509	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)NCC1CCNCC1	841923559	KZHYRWGKVKBDFP-UHFFFAOYSA-N	324.812	1.213	50	20	DDGD	
CS(=O)(=O)c1ccc(C=NNC(=O)NCc2ccco2)cc1	920829866	UWCJVMCTRGHTEX-UHFFFAOYSA-N	321.358	1.516	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O	754577209	JSKQSXBAHXDHEC-UHFFFAOYSA-N	317.349	1.322	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)Nc2cnns2)c1	755334912	LEMRJNSAPKCHBB-UHFFFAOYSA-N	323.334	1.022	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NNc2ncc(F)cc2F)C1	857868705	AFGQHPFVRDCICP-OIBJUYFYSA-N	307.304	1.892	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H]2CCC[C@H](N(C)C)C2)c1	858310875	AEDULJICCPULSL-RYUDHWBXSA-N	324.450	1.873	50	20	DDGD	
CCCOc1ccc(NC(=O)NNC(=O)CCCN)cc1OC	859766820	PXRNPFFPPFKDBL-UHFFFAOYSA-N	324.381	1.376	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)c2ccc3c(c2)OCCO3)cn1	920987477	LJWTWGZQIVXYCF-UHFFFAOYSA-N	314.345	1.828	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(C)c(NC(C)=O)c1C	756144146	YXEPDENMGCJMRS-UHFFFAOYSA-N	322.365	1.451	50	20	DDGD	
COc1ccc(Br)c(NNC(=O)[C@H](O)C2CC2)c1	854946492	OOCUTDWDERXCDE-LLVKDONJSA-N	315.167	1.672	50	20	DDGD	
CC(C)(C)Cc1ccccc1C(=O)NNC(=O)C(=O)NC1CC1	929448865	PESATCWZEOCBPY-UHFFFAOYSA-N	317.389	1.315	50	20	DDGD	
COC(=O)c1nccnc1NC[C@]1(C)C[C@H]1Br	856788490	YPHZNJAYLQXTAT-HQJQHLMTSA-N	300.156	1.849	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccnn1C1CCCC1)C1CC1	855099461	ZRGPWWFZYQFDPS-SNVBAGLBSA-N	321.450	1.906	50	20	DDGD	
COc1ccc(C)cc1CC(=O)NNC(=S)N[C@H](C)C1CC1	751615977	DKQWUYALHBVMKN-LLVKDONJSA-N	321.446	1.840	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCCN1CCOC[C@H]1C	853677302	OEMMMCMOCOLXOF-GFCCVEGCSA-N	310.373	1.481	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC2CC=CC2)c(OC)c1	858198819	ZRAPGQAVLFIWIK-UHFFFAOYSA-N	319.361	1.614	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)COCc1ccccc1)C1CC1	852132089	IBHMOIZGQUOBIX-AWEZNQCLSA-N	305.378	1.722	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)C1(S(C)(=O)=O)CC1	928337190	MRGYCLQRNKGCSX-UHFFFAOYSA-N	302.783	1.669	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCNc2ccccc21	850028446	AKEUTNQJDLDQPS-CMPLNLGQSA-N	319.361	1.075	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(Cl)cc1	858093170	UDNULNGTKYZWDG-KCJUWKMLSA-N	324.768	1.010	50	20	DDGD	
COCC1(S(=O)(=O)NC[C@@]2(C)C[C@H]2Br)CC1	856753520	SUOYNQXJHVTASY-RKDXNWHRSA-N	312.229	1.258	50	20	DDGD	
C[C@H](CCCCN)NC(=O)NC[C@@]1(C)C[C@H]1Br	857103971	PHQAHVUBQLYOEH-CKYFFXLPSA-N	306.248	1.977	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CN2CCC(C)CC2)c1C	855625226	BKDCPULAORTVPW-UHFFFAOYSA-N	319.405	1.957	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CCC[C@H](N(C)C)C2)c1	858310873	AEDULJICCPULSL-NEPJUHHUSA-N	324.450	1.873	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)COc1ccccc1OC)C1CC1	858126693	GLRVVUDASKZELN-HNNXBMFYSA-N	322.361	1.037	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccccc1-c1nnnn1C(C)C	758018376	UUWZZMNSSSCWSH-UHFFFAOYSA-N	317.353	1.484	50	20	DDGD	
Cc1nn(C)cc1C=NNC(=O)Cc1nc2ccccc2n1C	755537078	UNHNTOKMQCXCEG-UHFFFAOYSA-N	310.361	1.308	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CO[C@H]2CCC[C@H](C)C2)nc1	759739894	SKMVEPGDFSLXGO-AAEUAGOBSA-N	321.377	1.907	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCOC(C)C)c1C	853989150	IQZFMCBXKMNDLA-UHFFFAOYSA-N	309.366	1.833	50	20	DDGD	
CCOc1ccccc1C(=O)NNC(=S)NCC1CCC1	855092837	CGLKKMODKVRWRA-UHFFFAOYSA-N	307.419	1.994	50	20	DDGD	
O=C(NC[C@H]1CCCCC1(F)F)NNC(=O)c1cn[nH]c1	858500792	QJHJJPFJJYAEOX-SECBINFHSA-N	301.297	1.179	50	20	DDGD	
COc1cc(CCC(=O)NNc2cc(Cl)nc(C)n2)on1	854956248	HCDMLDGLSWWBKR-UHFFFAOYSA-N	311.729	1.511	50	20	DDGD	
CCCC[C@H](CN)NC(=O)NC[C@]1(C)C[C@H]1Br	857103443	JEVWPEFKUUPOHJ-FOGDFJRCSA-N	306.248	1.977	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cccc(CN2CCCC2)c1	854925987	RQXILZBFUIHVLM-UHFFFAOYSA-N	306.435	1.363	50	20	DDGD	
CO[C@H](C=NNC(=O)c1nnc(-c2ccccc2)o1)C1CC1	853293900	WFZKCLAMDDAEJC-GFCCVEGCSA-N	300.318	1.877	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCSC1)c1cc(Cl)ccc1O	762442700	IOFGTYMJEOHIOR-ZETCQYMHSA-N	300.767	1.560	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2cc3c(s2)CCC3)CCO1	769736216	SRVXTKVHQXXKDA-GXSJLCMTSA-N	323.418	1.748	50	20	DDGD	
COCCCn1cc(C(=O)NNc2nccnc2Cl)cn1	863877092	ROFZXQHUSPGZDR-UHFFFAOYSA-N	310.745	1.120	50	20	DDGD	
OB(O)[C@H]1CCN(c2nc(-c3cccnc3)nc3ccccc23)C1	864233686	LCKZFZYFBZAJDJ-ZDUSSCGKSA-N	320.161	1.745	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2ncnc3ccsc23)CCN1C	765822889	CWWCFEZMKXZLFU-UWVGGRQHSA-N	320.422	1.800	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(S)n1)c1cnc(C)s1	761252748	HNLOBRSAAADTTR-UHFFFAOYSA-N	323.403	1.319	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(N2CCCCCC2)cc1	931119173	MDSXFXFFGWWDCM-UHFFFAOYSA-N	304.394	1.983	50	20	DDGD	
O=C(/C=C/CN1CCOCC1)NNc1ncnc2ccsc12	866729172	JNOOWSCSLIBLQZ-OWOJBTEDSA-N	319.390	1.023	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)c1ccc2nnc(O)n2c1	763105444	UGCZJOXCVLZMQG-UHFFFAOYSA-N	323.234	1.609	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cccc2nn[nH]c12	863098889	BBNCFWKDFNVHLR-UHFFFAOYSA-N	309.198	1.390	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H]2C[C@H]2C(F)(F)F)n1	868563952	YRTNEUNJJKQPCN-VXNVDRBHSA-N	302.256	1.285	50	20	DDGD	
O=C(CCCc1ccc(Cl)cc1)NNC(=O)[C@@H]1CCC(=O)N1	862452347	JWKAEMOHVOMKKI-LBPRGKRZSA-N	323.780	1.089	50	20	DDGD	
CC(=O)N[C@H](CC(C)C)C(=O)NC[C@]1(C)C[C@@H]1Br	862259147	ZCPMWJGQFFHGGW-MDZLAQPJSA-N	319.243	1.827	50	20	DDGD	
CCc1c(NC(=O)NNC(=O)c2cn[nH]c2)cnn1CC(C)C	860829370	XSKYJMIBYOHMQA-UHFFFAOYSA-N	319.369	1.291	50	20	DDGD	
O=C1NCCC[C@@H]1C(=O)NNc1cccc(Br)c1	866867490	QOTTZZFQMLGPLN-JTQLQIEISA-N	312.167	1.418	50	20	DDGD	
CCc1cc(C(=O)NNc2cccc(C(=O)OC)c2)c(C)nn1	760033676	VORKWJHPQZNZJL-UHFFFAOYSA-N	314.345	1.891	50	20	DDGD	
C[C@H]1CCCN(S(=O)(=O)CC(C)(C)CCl)[C@H]1C(=O)O	864497292	MEBTXUUDWZLQOV-VHSXEESVSA-N	311.831	1.766	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCc2ccn(C)n2)cc1	760688792	ZVLZFCCDUVWJGR-UHFFFAOYSA-N	315.377	1.169	50	20	DDGD	
Cn1ncc(C(=O)NNc2cc(C#N)cc(Cl)n2)c1C1CC1	768701348	NZMQEIWHTREWJL-UHFFFAOYSA-N	316.752	1.974	50	20	DDGD	
CO[C@H](C(=O)NNc1cncc(Br)c1)C1CC1	1116859165	XFFFBNIFQLZHMU-JTQLQIEISA-N	300.156	1.712	50	20	DDGD	
CO[C@@H]1CCCCC1=NNC(=O)CCNC(=O)OC(C)(C)C	779806109	BFWVWRFPPQHHDQ-GFCCVEGCSA-N	313.398	1.962	50	20	DDGD	
CO[C@@](C)(C(=O)NNc1ccnc(N(C)C)n1)c1ccccc1	776155745	HKHKPKIBDCNLRG-MRXNPFEDSA-N	315.377	1.548	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)[C@@H]1CCCOC1	779770832	HSDKXUCZPUEOGT-LLVKDONJSA-N	309.391	1.397	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)CS(=O)(=O)C(C)C	777482199	DXQPLHBPQTYPBE-UHFFFAOYSA-N	321.402	1.810	50	20	DDGD	
COC[C@@H](C)CC(=O)NNc1cncc(Br)c1	1116395845	SGZPBDIYNSASRX-QMMMGPOBSA-N	302.172	1.960	50	20	DDGD	
CN(C)c1nccc(NNC(=O)Cc2ccccc2CC#N)n1	777523323	KCNADHDANMURMF-UHFFFAOYSA-N	310.361	1.294	50	20	DDGD	
COc1cccc2c1OCCCC2=NNC(=O)c1cn[nH]c1	872392371	KRUZQUAEUPUQCP-UHFFFAOYSA-N	300.318	1.725	50	20	DDGD	
COC(=O)C(=O)NN=C1CCCOc2c1cccc2C(C)C	1116301844	MSZQSRSFTVLRNZ-UHFFFAOYSA-N	304.346	1.976	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C1CCC=CCC1	873771716	JISGCUFSBOEMCY-UHFFFAOYSA-N	318.373	1.968	50	20	DDGD	
COc1ccc(OC)c(CNC(=O)NN=c2cc[nH]c(C)c2)c1	875047795	JYJKNBLXCIVTCL-UHFFFAOYSA-N	316.361	1.655	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2ccc(C(C)=O)o2)n1	774038237	NUCJJAFNRKPMAN-UHFFFAOYSA-N	317.349	1.875	50	20	DDGD	
CC1(C)OCC(C)(C(=O)NNC(=O)c2cccc(C#N)c2)CO1	775607544	KHRCWEAVQCZDEO-UHFFFAOYSA-N	317.345	1.108	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)Cn2ccc3ccccc32)CCO1	776320763	FGVCRNCXFAXGFL-GXTWGEPZSA-N	315.373	1.604	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cccc([C@@H]2CCOC2)c1	883067372	GAIXNVZUPQYFQH-OAHLLOKOSA-N	318.373	1.378	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1ccc(N2CCN(C)CC2)cc1	786043291	VXEODELNGOGKJA-VBKFSLOCSA-N	319.430	1.738	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ccccc2)c(Cl)n1	784767582	XDQJYJKDVAMHEW-UHFFFAOYSA-N	320.736	1.825	50	20	DDGD	
Cc1ccc2c(c1)CC[C@@H]2NC(=O)NNC(=O)c1cccnn1	883191569	DJANCBKKKZGEAV-ZDUSSCGKSA-N	311.345	1.417	50	20	DDGD	
Cc1nnc([C@@H](C)NC(=O)NNc2ncncc2Cl)s1	781016913	TZBAJIZVSCLDRH-RXMQYKEDSA-N	313.774	1.677	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cccc(F)c2F)nn1	783953928	RWDBFCMRMVDESP-UHFFFAOYSA-N	307.260	1.145	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NC[C@H]2C=CCC2)cc1	883843619	OJONPTVETBJCEC-ZDUSSCGKSA-N	303.362	1.994	50	20	DDGD	
N#C/C(=C/c1ccccc1)C(=O)OCc1nc(-c2nc[nH]n2)no1	785344187	JNIVAXFQEIVIRK-WDZFZDKYSA-N	322.284	1.505	50	20	DDGD	
CN(C)CC(=O)NN=Cc1cnn(Cc2ccccc2)c1Cl	789004743	ISFNXCRFTWOVKZ-UHFFFAOYSA-N	319.796	1.597	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@@H]2CO[C@@H](C)C2)c1	784149588	OAZJCBCGXGRHFW-UWVGGRQHSA-N	311.382	1.877	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1ccccc1C(N)=O	788702805	XRCHREPQYOCSCN-ZDUSSCGKSA-N	316.405	1.358	50	20	DDGD	
COc1cc(C(C)=NNC(=O)c2ccnc(N(C)C)c2)ccn1	782229910	NRTLBARIGDXXBT-UHFFFAOYSA-N	313.361	1.705	50	20	DDGD	
C#CCN1CCC[C@H](NC(=O)NNc2cccc(F)c2F)C1	890371368	UBYJMZSRPCYOBA-NSHDSACASA-N	308.332	1.689	50	20	DDGD	
C[C@@H](NS(C)(=O)=O)C(=O)NN=C(CC(C)(C)C)C1CC1	787155588	QOPOOHBMLOLSNZ-SECBINFHSA-N	303.428	1.243	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CNc1ccc(C#N)cc1	780732038	QZNCEQSPOVCYCU-UHFFFAOYSA-N	324.340	1.900	50	20	DDGD	
COCC[C@H](Cc1ccco1)NC(=O)NNC(=O)C(C)(C)C	784310072	UBFFGOZWWMJKPA-LLVKDONJSA-N	311.382	1.604	50	20	DDGD	
CCc1noc2ncc(C(=O)NNc3ncncc3Cl)cc12	781812456	FKGZXAJFGMXBBA-UHFFFAOYSA-N	318.724	1.986	50	20	DDGD	
C[C@@H]1CCc2[nH]nc(C(=O)NNC(=O)CC3CCCC3)c2C1	896032697	HEHZSRORWBSVEH-SNVBAGLBSA-N	304.394	1.876	50	20	DDGD	
O=C(NN=C1CCC[C@@H]1c1ccccn1)C(=O)Nc1ccccn1	794918146	BEFPDQAKMOPZKW-GFCCVEGCSA-N	323.356	1.855	50	20	DDGD	
COc1ccccc1C(=O)NN=C(C)C(C)(C)n1cncn1	794509477	ACZHEEVNROUGBV-UHFFFAOYSA-N	301.350	1.828	50	20	DDGD	
Cc1ccsc1CNC(=O)NNc1nc2ccccn2n1	790249401	NGPOFOFXXTZTNV-UHFFFAOYSA-N	302.363	1.926	50	20	DDGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNC(=O)NCC(F)(F)F)C1	798126275	YXSOLACKUWWCDV-RKDXNWHRSA-N	311.304	1.474	50	20	DDGD	
CSSCCNC(=O)Cc1ccc(S(N)(=O)=O)cc1	791099820	LOEDPOOWXQVNGC-UHFFFAOYSA-N	320.461	1.004	50	20	DDGD	
C[C@@H](Oc1cccc(/C=C(/C#N)S(=O)(=O)N(C)C)c1)C(=O)O	794958355	LTDWMWCRWIHMTI-GARZTLJTSA-N	324.358	1.294	50	20	DDGD	
C=C(CBr)COC(=O)CN1CCCCCC1=O	795325399	RGSZEVOEARSPKQ-UHFFFAOYSA-N	304.184	1.883	50	20	DDGD	
COc1cc(C(F)(F)F)ncc1NC(=O)NNC(=O)C(C)C	792510682	MLLWXDCBXJULJA-UHFFFAOYSA-N	320.271	1.918	50	20	DDGD	
Cc1nn(C)c(-n2ccnc2C)c1C(=O)NNc1ccccc1	793705354	OZDIGBWHWHKHJJ-UHFFFAOYSA-N	310.361	1.980	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@](C)(O)COC)cc1C	794646176	IPNKWWJHMOTTQI-HNNXBMFYSA-N	310.350	1.012	50	20	DDGD	
C[C@]12CCN(CC(=O)NNC(=O)C3CC3)C[C@@H]1C2(Cl)Cl	792909979	UXYZLUFITSAWEH-CABZTGNLSA-N	320.220	1.060	50	20	DDGD	
Cc1n[nH]c(C)c1C[C@H](C)C(=O)NNC(=O)NC1CCCCC1	1318849391	AEKOAZZZGFMXKF-JTQLQIEISA-N	321.425	1.868	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)C	1326335429	ZQMKPLQODQAHPF-JTQLQIEISA-N	317.455	1.504	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1NC(=O)NNC(=O)c1ccncc1	1320111976	CTPHDYSSKANDQP-UHFFFAOYSA-N	316.365	1.579	50	20	DDGD	
Cc1ccccc1C(F)(F)C(=O)NNC(=O)Cc1ccncc1	1323165996	XYOPUJSCYWGAGH-UHFFFAOYSA-N	319.311	1.872	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCSC(C)C)cc1	1326934079	XUUBCSALJNOJGY-UHFFFAOYSA-N	311.407	1.781	50	20	DDGD	
Cc1cnn(C)c1C=NNC(=O)c1cncn1-c1ccccc1	1257398945	JGWKYLHGXKPFAO-UHFFFAOYSA-N	308.345	1.678	50	20	DDGD	
Cc1ccc(C(F)(F)C(=O)NNC(=S)NC(C)C)cc1	1320792567	CSZYNCBZUFTUAH-UHFFFAOYSA-N	301.362	1.991	50	20	DDGD	
CCn1cc(CNC(=O)NNC(=O)c2ccc(OC)cc2)cn1	1323069769	ZYVNYJMXVYHJHW-UHFFFAOYSA-N	317.349	1.056	50	20	DDGD	
C#CCN1CCC[C@@H](NC(=O)NNc2ccc(Cl)cn2)C1	1330936841	ZALFAQPHQSBZOE-GFCCVEGCSA-N	307.785	1.459	50	20	DDGD	
CC(=NNC(=O)C1CCOCC1)c1cccc(-n2cnnc2)c1	1330902039	CGGXWELJRBTUKY-UHFFFAOYSA-N	313.361	1.534	50	20	DDGD	
O=C(NCC1CC2(C1)OCCO2)NNc1ccc(Cl)cn1	1340941275	QUBQDEVTEDZITB-UHFFFAOYSA-N	312.757	1.514	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1c(Cl)ccnc1Br	1347684530	FHRDEFOXXQWVPU-ZCFIWIBFSA-N	322.590	1.455	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12	1603613006	QAPGGHRBJFQHIP-RGOKHQFPSA-N	309.815	1.280	50	20	DDGD	
O=C(NCc1ncccc1F)NNc1ccc(C(=O)O)cc1F	1601552009	MABLYLRNTAWWBL-UHFFFAOYSA-N	322.271	1.884	50	20	DDGD	
Cc1c(NNC(=O)[C@H]2CSCCS2)cccc1C(=O)O	1600052291	GUIVUWZKLANYOC-LLVKDONJSA-N	312.416	1.985	50	20	DDGD	
CN(C)Cc1ccc(C(=O)NNc2ccc(F)c(C(=O)O)c2)o1	1606033676	HSSKCRLPEKDQOF-UHFFFAOYSA-N	321.308	1.935	50	20	DDGD	
NC1CCC(NC(=O)NNc2ccc(C(=O)O)c(F)c2)CC1	1608250259	AOLGONBTOJQTBV-UHFFFAOYSA-N	310.329	1.420	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NC[C@H]1CCO[C@H]1C(=O)O	1600431136	KAKFRHTWLZJGHB-BXKDBHETSA-N	311.313	1.250	50	20	DDGD	
N#CC[C@H](NC(=O)NNc1cccc(C(=O)O)c1)C(F)(F)F	1601062146	NFWUXKAVXGQRTM-VIFPVBQESA-N	316.239	1.855	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)C(=O)O)C[C@H](c2ccccc2)C1	1604676190	LEQJYXFNGXEOCU-CYZMBNFOSA-N	319.361	1.374	50	20	DDGD	
CC1(C)CNC[C@@H]1NC(=O)NNc1ccc(C(=O)O)cc1F	1604545990	AWLNODSBVUAVBL-NSHDSACASA-N	310.329	1.148	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(Cl)Cl)C(F)F	1802341014	DXOHOFSRUVNEQN-KVSKUHBBSA-N	315.147	1.693	50	20	DDGD	
O=C(NN=Cc1c(F)cccc1F)[C@H]1CN2CCC[C@@H]2CO1	1549313939	GNKUUDAELCFENY-QMTHXVAHSA-N	309.316	1.278	50	20	DDGD	
Cc1cc(C)cc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)c1	1549318796	RFEVMDPCDKMKSS-JKSUJKDBSA-N	301.390	1.617	50	20	DDGD	
COc1cccc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)c1	1549316403	RTMJYWVHGCZMLL-UKRRQHHQSA-N	303.362	1.009	50	20	DDGD	
O=C(C1CCC(Cl)CC1)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21	1548715923	SRFNPPPBCAMETB-IFWUJCSASA-N	319.854	1.962	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)CCC(C)(C)N)cc1OC	1578171475	IPGZSSBHURKUOH-UHFFFAOYSA-N	323.393	1.372	50	20	DDGD	
CN(NC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)C(=O)N1CCNCC1	1578506100	HJXZJKNPOVJTKD-QLFBSQMISA-N	322.453	1.581	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)[C@@H]1NCCOc2ccccc21	1580739827	POVMPOODZLRBFC-CQSZACIVSA-N	318.764	1.323	50	20	DDGD	
C#CCSCC(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1588363140	MPBORGQPIASSAQ-UHFFFAOYSA-N	322.781	1.330	50	20	DDGD	
CCCN1CCCC[C@H]1C(=O)NNc1ncccc1C(=O)O	1589675233	QEHUIZKJQMVVPP-LBPRGKRZSA-N	306.366	1.487	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCc2ccc(C(=O)O)cc2)cn1	1594537798	LJRVUYKSHHDUSI-NSIKDUERSA-N	310.313	1.342	50	20	DDGD	
CC1(C)OCCC1=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1590119899	VIVHLXCBMGPWEV-UHFFFAOYSA-N	300.322	1.151	50	20	DDGD	
O=C(O)[C@@H](C(=O)NNc1ccc(-c2ccccc2)nn1)C1CC1	1594836491	WTCBZJMVMPAZSZ-CQSZACIVSA-N	312.329	1.698	50	20	DDGD	
CCn1ccc(C(=O)N(c2nc(CC(=O)O)cs2)N(C)C)n1	1597899792	SGMYJKXDHREFGP-UHFFFAOYSA-N	323.378	1.110	50	20	DDGD	
C[C@@H]1C(=NNC(=O)c2ccc(CN(C)C)o2)CC[C@H]1CC(=O)O	1594120423	IUPZRZQQNSWIMH-QWRGUYRKSA-N	321.377	1.948	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(C)cc(C(=O)O)c1	1594159078	CFRNFQOKHBJCKB-UHFFFAOYSA-N	302.290	1.249	50	20	DDGD	
CNc1ccccc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1591223922	OZLNNADSLSCHDL-UHFFFAOYSA-N	309.333	1.665	50	20	DDGD	
CC(=NNC(=O)c1ccon1)c1cc(C(=O)O)c(C)nc1C	1776105943	KELGTJVXGUAZFB-UHFFFAOYSA-N	302.290	1.539	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1c(F)ccc(C(=O)O)c1F	1776129481	KVLNXIICSKAULO-CLFYSBASSA-N	324.283	1.723	50	20	DDGD	
O=C(O)CCc1ccc(C=NNC(=O)c2ccccc2O)o1	1776017682	XZBJFEFTNHICCG-UHFFFAOYSA-N	302.286	1.766	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@H]2CCN2C(C)(C)C)CC[C@@H]1C(=O)O	1776098733	VZTPGEGRABUYFU-KGYLQXTDSA-N	309.410	1.852	50	20	DDGD	
O=C(Cc1ccccc1O)NN=Cc1csc(C(=O)O)c1	1776094311	MHFWNGQNBSHZKZ-UHFFFAOYSA-N	304.327	1.845	50	20	DDGD	
COc1ccc(NNC(=O)c2ccn(C)c(=O)c2)c([N+](=O)[O-])c1	155200778	LDGWOEYHCBLILE-UHFFFAOYSA-N	318.289	1.059	50	20	DDGD	
CCCC(=O)N1CCC[C@@H]1C(=O)NNc1ccc(C#N)cc1	155715257	AWMMLNIQAMSZRI-CQSZACIVSA-N	300.362	1.792	50	20	DDGD	
O=C(CCc1ccccc1F)NNc1ncnc2nc[nH]c12	156227495	WUTREMIJODQLTO-UHFFFAOYSA-N	300.297	1.568	50	20	DDGD	
O=C(NC[C@@H](c1cccc(F)c1)N1CCOCC1)[C@@H](F)Cl	2088604873	BTMVCGFPEGDBLP-QWHCGFSZSA-N	318.751	1.850	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccc(C#N)cc2)c(C)o1	3613735	HUPRBGHVSWGMMB-UHFFFAOYSA-N	313.313	1.608	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1ccc(-n2ccnc2)nc1	114894781	WQUPZSZRYVJWSP-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H](C(C)C)N(C)C)c1	110599982	GRMWVGVLTCPZHL-MRXNPFEDSA-N	321.421	1.416	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccc(C#N)cc1	55351924	UHAXOKRNIUOIGG-UHFFFAOYSA-N	309.325	1.571	50	20	DDGD	
CCCCCC[C@H](CC)C(=O)NNC(=O)C(=O)N1CCCC1	116741154	ZSOYIDCQVLXLLK-ZDUSSCGKSA-N	311.426	1.753	50	20	DDGD	
CC(C)C1(CNC(=O)NNc2ccc(-n3cccn3)nn2)CC1	176348360	AOPDAUXUVZFWLB-UHFFFAOYSA-N	315.381	1.725	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1cc(Cl)c[nH]1	171036739	KSWPQUVSYYYOLX-UHFFFAOYSA-N	323.736	1.517	50	20	DDGD	
COc1cc(O)ccc1C=NNC(=O)COc1ccccc1O	1343890604	XQMNJJNENFGTEP-UHFFFAOYSA-N	316.313	1.636	50	20	DDGD	
CC[C@H](C)N(CC(=O)NNC(=O)C1CC1)Cc1ccccc1	112975895	TTZKMLCHBUTTFG-ZDUSSCGKSA-N	303.406	1.845	50	20	DDGD	
CS[C@H](CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)C(C)(C)C	1261453451	GPFXZSMHGSSXBW-HBNTYKKESA-N	317.455	1.520	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)c1cc[nH]c1	68228945	FONVEIMTOKANSD-UHFFFAOYSA-N	303.318	1.253	50	20	DDGD	
CS(=O)(=O)CCCC(=O)NNc1ccc(Cl)c(F)c1	175440974	WHJJYJQGUPLNKZ-UHFFFAOYSA-N	308.762	1.747	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNc1ncccc1Cl	114882619	QQBUTRQPQUHGPK-NSHDSACASA-N	310.785	1.969	50	20	DDGD	
COc1csc(C(=O)NNC(=O)c2ccc(Cl)nc2)c1	176577395	LRTFBVOOYGKHQR-UHFFFAOYSA-N	311.750	1.880	50	20	DDGD	
O=C(CCCc1ccccn1)NNC(=O)Cc1ccccc1F	66928413	NKZJUEIXHOMEEC-UHFFFAOYSA-N	315.348	1.934	50	20	DDGD	
C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)c1cccnc1	27765519	HQBCWUIHNSSDTP-NSHDSACASA-N	310.313	1.182	50	20	DDGD	
C[C@H]1CSCCN1C(=O)NNC(=O)c1ccc(C#N)cc1	172368148	KYKZXDLLXPHBHT-JTQLQIEISA-N	304.375	1.350	50	20	DDGD	
CC1(C)CN(CC(=O)NNC(=O)C2CC2)c2cccc(Cl)c21	112978093	GUYVXHIKROCUHH-UHFFFAOYSA-N	321.808	1.995	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)o1	175001372	MCZDLINFSVNXNR-CHWSQXEVSA-N	323.393	1.157	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccnc1-n1cccn1	121359044	RJDMFAPWOLFCED-UHFFFAOYSA-N	302.338	1.011	50	20	DDGD	
CCC(CC)(C(=O)NNC(=O)Cc1cc[nH]n1)c1ccccc1	186156142	UVYNFDJTYIZPEG-UHFFFAOYSA-N	314.389	1.858	50	20	DDGD	
O=C(NCCCF)NNC(=O)c1cccc(Br)c1	120897325	WVPIVUCAPVOIGJ-UHFFFAOYSA-N	318.146	1.753	50	20	DDGD	
COc1cc(Cl)ccc1CNC(=O)NNc1cccnn1	77663652	VENQDWZVFPOWPK-UHFFFAOYSA-N	307.741	1.965	50	20	DDGD	
CN(NC(=O)Cc1csc(Cc2ccc(F)cc2)n1)C(N)=O	182665830	CYWRAIKUVSVGQP-UHFFFAOYSA-N	322.365	1.457	50	20	DDGD	
COc1ccc(F)cc1NC(=O)C(=O)NNc1ccccn1	181417107	LCRVPIDHVQTWEM-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Cc1cc(C)on1)c1ccccc1	74594029	FVQMFEPKEDQIHA-CQSZACIVSA-N	301.346	1.867	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(F)c1	181494647	RVBMOLICXPTJEX-UHFFFAOYSA-N	318.264	1.816	50	20	DDGD	
O=C(NC[C@H]1CCN(C2CC2)C1)NNc1cncc(Cl)n1	121126344	IBPSKODIKUJCJW-SECBINFHSA-N	310.789	1.240	50	20	DDGD	
Cc1oc2ncn(C)c(=O)c2c1C(=O)NNC(=O)OC(C)(C)C	71017197	SCBPVEFFPQQCFA-UHFFFAOYSA-N	322.321	1.004	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)Cc2cccs2)c1	182151419	XJHBAXNPQXHERA-UHFFFAOYSA-N	310.400	1.837	50	20	DDGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCN(CCO)CC1	78282372	ZJYGBCMNQZDCKI-SYZQJQIISA-N	302.334	1.069	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)Nc2ccc(C#N)cc2F)cc1	186290793	MFUHJXYSYRMIBY-UHFFFAOYSA-N	323.287	1.651	50	20	DDGD	
Cc1cc2occ(C(=O)NNC(=O)C(=O)NC(C)C)c2cc1C	184012390	NJIHWHDFFYZQJC-UHFFFAOYSA-N	317.345	1.335	50	20	DDGD	
CCCc1ccccc1NC(=O)NNC(=O)Cc1cc[nH]n1	183543642	PJGFVHMINFRVDW-UHFFFAOYSA-N	301.350	1.758	50	20	DDGD	
CC#CCNC(=O)NNC(=O)c1ccc(Br)s1	134975851	KIBWUMQVJGEHQC-UHFFFAOYSA-N	316.180	1.478	50	20	DDGD	
C=C(C)COCCNC(=O)NNc1ccc(C(C)(C)C)nn1	135013386	IIIQOBICACXORH-UHFFFAOYSA-N	307.398	1.993	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccnc(F)c2)cc1F	190302625	SEKCORWYSJPCGJ-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)cn1	83677174	WLZRRURXCVVPLN-JTQLQIEISA-N	322.434	1.776	50	20	DDGD	
CCOC1CC(CC(=O)NNc2nc(-c3ccncc3)no2)C1	190259938	TYVFMVJSXBSXHE-UHFFFAOYSA-N	317.349	1.780	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)CC1CCC2(CC1)OCCO2	191229002	SLGYUTIMCWSKOH-UHFFFAOYSA-N	312.410	1.893	50	20	DDGD	
CNC(=O)c1cccc(CNC(=O)NNC(=O)OC(C)(C)C)c1	47000099	UUFUUSHFSZEQOV-UHFFFAOYSA-N	322.365	1.285	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2ccnc(F)c2)ccc1F	190310391	IDOVYGWDUSQPQI-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc(-c2cccc(Cl)c2)no1	195371257	YYPMCGJFVKWOCQ-UHFFFAOYSA-N	308.725	1.911	50	20	DDGD	
CN1CCC[C@@H]1C(=O)N1CCN(/C(=C/C#N)c2ccccc2)CC1	141499519	GPZXYXHFYJWUSW-JIARHERNSA-N	324.428	1.789	50	20	DDGD	
COc1cccc(C=NNC(=O)Cn2cnc3ccccc32)c1O	254826380	OZHWONSTFKUZDY-UHFFFAOYSA-N	324.340	1.901	50	20	DDGD	
CSC[C@@H](C)NC(=O)NNC(=O)COc1ccc(C)cc1	265596678	VQGOORZOFPZSHC-LLVKDONJSA-N	311.407	1.456	50	20	DDGD	
O=C(NNC(=O)c1nccn2ccnc12)NC1CCCCC1	266813099	WPGPKRDSEBYZSR-UHFFFAOYSA-N	302.338	1.006	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NC[C@@H]1CCCOC1)c1ccccc1	264676138	VVADACSBLOOEHA-ZDUSSCGKSA-N	319.405	1.721	50	20	DDGD	
CCCC(=O)N1CSC[C@@H]1C(=O)NN(C)c1ccccc1	263868976	LNGCLZDKJDSXAR-CYBMUJFWSA-N	307.419	1.856	50	20	DDGD	
CC(C)(C)[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cncnc1	277135971	DCSFMNHJDMSLDT-QWRGUYRKSA-N	307.354	1.081	50	20	DDGD	
COCCOc1c(Cl)cccc1NC(=O)NNC(C)=O	273159735	AZDSVDZPIROIFY-UHFFFAOYSA-N	301.730	1.538	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC(C)(C)C[C@H](C)O)c1	272664753	NVKFTZQVQFUVHO-NSHDSACASA-N	323.393	1.896	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)[C@@H](C)c2ccccn2)n1	279681666	OTOCWPWEVHQDMD-LBPRGKRZSA-N	313.361	1.832	50	20	DDGD	
Cc1cccnc1NNC(=O)C1CN(C(=O)OC(C)(C)C)C1	276709020	JTLDHIRLNHCURX-UHFFFAOYSA-N	306.366	1.700	50	20	DDGD	
CC1(C)CCC[C@H]1C(=O)NNC(=O)COc1ccc(C#N)cc1	274586488	GQGJJZLRADZEGF-AWEZNQCLSA-N	315.373	1.911	50	20	DDGD	
COC(=O)c1cccc(CC(=O)NNC(=O)NC2CCCC2)c1	270250095	FLFNCXXTKRXZJZ-UHFFFAOYSA-N	319.361	1.289	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NNC(=O)c2ccccc2)C1(C)C	271886480	WELBONDIEIWKOM-CYZMBNFOSA-N	305.378	1.690	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCC1(N2CCOCC2)CC1	277618658	QQFNJXXHUYBNQY-UHFFFAOYSA-N	322.384	1.625	50	20	DDGD	
COC(=O)[C@H]1CCC[C@H](C(=O)NNc2cccc(OC)n2)C1	272538034	OMKSEUIAWDISQC-QWRGUYRKSA-N	307.350	1.513	50	20	DDGD	
CCCCn1cc(C(=O)NNc2nc3ccccn3n2)c(C)n1	276693400	GDLPMLIJLNZRDZ-UHFFFAOYSA-N	313.365	1.791	50	20	DDGD	
CCc1occc1C(=O)NNC(=O)COc1cccc(C)c1	280434619	COOUPIZKTSIRKK-UHFFFAOYSA-N	302.330	1.990	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Nc2nc(C3CCC3)cs2)cn1	282917950	DPZCHYMEZHACPX-UHFFFAOYSA-N	320.378	1.611	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCCC2CCOCC2)nc1	282718571	LOOSCYDQLRGPNI-UHFFFAOYSA-N	321.377	1.908	50	20	DDGD	
C[C@@H]1CC=CC[C@H]1C(=O)NNC(=O)Cc1cn2ccccc2n1	285225578	CHSCSVVNGYBYLS-TZMCWYRMSA-N	312.373	1.627	50	20	DDGD	
CC(C)NC(=O)NNC(=O)C(C)(C)Cc1nc2ccccc2[nH]1	281823859	ZUCFKAIYPBONQJ-UHFFFAOYSA-N	317.393	1.870	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(Cl)nc(N2CCCC2)c1	286189805	CXMGLEKRVNONRL-UHFFFAOYSA-N	312.757	1.678	50	20	DDGD	
CC(=O)N1CCC[C@@H](CNC(=O)NNc2ncccc2C)C1	280653580	SIBNEQAVZGOCOG-ZDUSSCGKSA-N	305.382	1.275	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)NC[C@H]2CCCCO2)c1	297428812	ZMMJSYYHBVOPDF-CQSZACIVSA-N	306.366	1.840	50	20	DDGD	
COC(=O)CSCCC(=O)NNc1ncc(F)cc1F	297087678	YCZGYHGYTGXLIJ-UHFFFAOYSA-N	305.306	1.099	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNc1nc(C)cc(OC)n1	806985154	HRUPOJXJXFHOSX-UHFFFAOYSA-N	310.354	1.216	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1ccc(N2CCCC2)nn1	293814258	YXFCQOZKROEZBW-UHFFFAOYSA-N	318.768	1.882	50	20	DDGD	
COC1(CNC(=O)NNC(=O)c2ccccc2F)CCCC1	296895020	MXWPQAZXOXFXJZ-UHFFFAOYSA-N	309.341	1.729	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc([N+](=O)[O-])c1	294424041	YYMRTECHYDWUKO-CABZTGNLSA-N	307.306	1.232	50	20	DDGD	
COCC[C@@H](NC(=O)NNc1ncncc1F)c1ccc(C)o1	292370365	ARPJBMXIPSIGJY-LLVKDONJSA-N	323.328	1.921	50	20	DDGD	
O=C(CO)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1	804208079	XEXKLYFMCWRYCB-UHFFFAOYSA-N	312.251	1.598	50	20	DDGD	
CC(C)(C)c1cnc(CCC(=O)NNC(=O)[C@@H]2CCCO2)o1	293895505	FLGLMKIBVVMCDE-JTQLQIEISA-N	309.366	1.231	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)[C@H](C)OCCOC)[C@@H]1SC	807975616	WACRGLZNMGQWLJ-WCQGTBRESA-N	304.412	1.051	50	20	DDGD	
CCC[C@]1(CO)CCN([C@H](C)C(=O)NNC(=O)CC(C)C)C1	808796340	IFOASNMPUOJKQT-CJNGLKHVSA-N	313.442	1.053	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NOC[C@H](C)CC	291697692	DZWMHVCHCIDRAS-GFCCVEGCSA-N	323.393	1.936	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)CCCOC(C)(C)C)C1CC1	803199579	HPKUHDQDEOSITN-SNVBAGLBSA-N	301.456	1.876	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H](O)CCSC)c1ccccc1	294678647	RPYKQBGVOKWIFQ-OLZOCXBDSA-N	310.419	1.442	50	20	DDGD	
Cc1ccc(S(C)(=O)=O)cc1C(=O)NNc1ncccc1F	804212711	CTSVREORLGIGMI-UHFFFAOYSA-N	323.349	1.690	50	20	DDGD	
O=C(NNC(=O)c1ccnc(C(F)(F)F)c1)c1cccnc1	808377512	OBVVUXBIBUVUBI-UHFFFAOYSA-N	310.235	1.570	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncc(F)cc1F)C1=CCN(C)CC1	297286970	LMDOMFRRQSCKRN-SECBINFHSA-N	311.336	1.636	50	20	DDGD	
COc1ccc(NNC(=O)Cc2ccc(F)cn2)c([N+](=O)[O-])c1	807098976	HNYUCOAJAHKWPL-UHFFFAOYSA-N	320.280	1.823	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CNc1ccccc1[N+](=O)[O-]	299279487	ANWPAIORBSSXEK-UHFFFAOYSA-N	310.310	1.563	50	20	DDGD	
O=C(NCC[C@@H]1CCCCO1)NNc1ncc(F)cc1F	297295554	LZVNERVPNOJHBV-JTQLQIEISA-N	300.309	1.945	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1	293935631	HZACELHMFWLKGJ-LBPRGKRZSA-N	321.333	1.199	50	20	DDGD	
CCCc1nnc(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)s1	292741243	UGHRLTGZNOXDMY-YUMQZZPRSA-N	313.383	1.211	50	20	DDGD	
CN(NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccccc1	299234689	MNFROLRVAWPROI-KBPBESRZSA-N	315.373	1.329	50	20	DDGD	
Cc1nccn1CCCNC(=O)NNc1ccc(Cl)nn1	298964923	NKSZSGANBILTIE-UHFFFAOYSA-N	309.761	1.351	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNC(=O)c2cccc(C)n2)c1C	293034459	DJUOCQTZADHWGY-UHFFFAOYSA-N	315.377	1.227	50	20	DDGD	
O=C(NCCc1ccc2c(c1)OCO2)NNc1cccc(F)n1	804893862	MMGQXOFZJSMCMU-UHFFFAOYSA-N	318.308	1.818	50	20	DDGD	
COc1ncc(C=NNC(=O)CCN2CCCCCC2)s1	812224473	DDGFDGHVCIFPLY-UHFFFAOYSA-N	310.423	1.868	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc(-c2ccccn2)nc1O	819126194	JXCWUCRTJWFQCJ-UHFFFAOYSA-N	312.329	1.410	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(Cc1ccccc1OC)OC	810110759	YTNAQLSBEIRWFF-LLVKDONJSA-N	309.366	1.005	50	20	DDGD	
C[C@@H]1CC(CCNC(=O)NNc2ncncc2F)C[C@@H](C)O1	814330413	HCLSUPNQBGNUML-NXEZZACHSA-N	311.361	1.836	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CC[C@H]2CNc3cccc1c32	814776737	IMZHGGKCNAFQTL-JTQLQIEISA-N	300.362	1.334	50	20	DDGD	
CNC(=O)COc1cccc(CC(=O)NCCCSC#N)c1	819698934	PQXVYIFDTWJVNK-UHFFFAOYSA-N	321.402	1.074	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)c2cn(C)c3ccccc23)c(C)o1	814254904	NFLBSNZDZYVNBD-UHFFFAOYSA-N	312.329	1.858	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1cc2ccccc2nc1O	815002247	RQWMAFKVHYNDGI-UHFFFAOYSA-N	307.313	1.913	50	20	DDGD	
CN1C(=O)CC[C@H](NC(=O)[C@@H](Br)C(C)(C)C)C1=O	819728942	VMRDBXYSUFGYFV-IONNQARKSA-N	319.199	1.060	50	20	DDGD	
CC(=NNC(=O)CNc1ccccc1F)c1ccc(N)nc1	814713753	VSVMPLZGPGNSQT-UHFFFAOYSA-N	301.325	1.755	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2snnc2C)c(OC)c1	814221874	PRLONMPSICIWDP-UHFFFAOYSA-N	306.347	1.628	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2c[nH]nc2-c2ccccn2)n1	810005614	AKJNEBWOCYIBHT-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
COC[C@@H](C)CNC(=O)NN=c1sc2ccccc2n1C	728958463	MMQYVLWGXCCIMC-JTQLQIEISA-N	308.407	1.637	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNc1cccc(C(=O)OC)c1F	821939670	YDGTUFSDJSSHRH-NXEZZACHSA-N	324.308	1.255	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)cnn1C	826235992	WHIUDSAGVISTFI-NTUHNPAUSA-N	319.328	1.699	50	20	DDGD	
C#CC1CCN(C(=O)NNC(=O)COCc2ccccc2)CC1	826055925	MJWGKNLHWDADHE-UHFFFAOYSA-N	315.373	1.289	50	20	DDGD	
COc1ccccc1S(=O)(=O)NN(C)C(=O)OC(C)(C)C	495942643	OQYKGOQHQHCKDD-UHFFFAOYSA-N	316.379	1.755	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H](C)CN2CCOCC2)ccc1F	729142902	FTGZEMSQJBOROC-ZDUSSCGKSA-N	307.369	1.553	50	20	DDGD	
Cc1ccccc1CC(=O)NNc1ccc(-c2nn[nH]n2)cc1	826306632	GKKRYJPAIISYFX-UHFFFAOYSA-N	308.345	1.861	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F	822384167	LFIIOTPENZRCTN-IUCAKERBSA-N	316.283	1.148	50	20	DDGD	
C#C[C@H](CC)NC(=O)NNC(=O)NCc1ccc(Cl)cc1	491314536	HGXQVKKUIMYXFD-GFCCVEGCSA-N	308.769	1.765	50	20	DDGD	
CC1(C(=O)NNc2ccccc2S(C)(=O)=O)CC(F)(F)C1	821025045	GRDOBPSNNJEDTN-UHFFFAOYSA-N	318.345	1.969	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N(Cc1cccs1)C1CC1	584928155	OCMFJBVOMPLANT-UHFFFAOYSA-N	301.176	1.233	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C\c1ccc(S(C)(=O)=O)cc1	490639563	XAZAEJLWFNESII-JYRVWZFOSA-N	306.387	1.769	50	20	DDGD	
CCCCOc1cccc(CNCc2ccc(B(O)O)cc2)c1	585015663	JGXHMRNABVYIOG-UHFFFAOYSA-N	313.206	1.835	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NN=Cc1ccsc1	491548347	GZJWHJPIADXWAH-UHFFFAOYSA-N	312.395	1.906	50	20	DDGD	
CS[C@H]1CCCC(=NNC(=O)C(=O)Nc2ccccn2)C1	901197907	FLTYEAAALVXIRT-NSHDSACASA-N	306.391	1.798	50	20	DDGD	
CCN(CC)Cc1cccc(NCc2ccc(B(O)O)cc2)c1	585012403	XKFVNFFQVOREMY-UHFFFAOYSA-N	312.222	1.820	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C2(C(=O)C3CC3)CC2)cc1	822203935	WJECMPINBVBVOX-UHFFFAOYSA-N	300.358	1.769	50	20	DDGD	
Cc1nonc1C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	735841119	RSCZMWVTOROCRW-ZETCQYMHSA-N	320.374	1.639	50	20	DDGD	
C[C@H]([C@H]1Cc2ccccc21)N(C)C(=O)c1ccc(B(O)O)cc1	585007943	DELNEELNLJQWNZ-SJKOYZFVSA-N	309.174	1.167	50	20	DDGD	
CCCNC(=O)CCC(=O)NNc1oc(C(C)C)nc1C#N	732063941	PJANVRSRBLIKOW-UHFFFAOYSA-N	307.354	1.419	50	20	DDGD	
CCCN(Cc1ccccc1F)[C@@H](C)C(=O)NNC(=O)CC	732200197	SCSUSKTWJNGJDS-LBPRGKRZSA-N	309.385	1.984	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1CCC[C@@H]1c1ccsc1	584930385	WQEGEXYIUAYSGB-CQSZACIVSA-N	319.166	1.544	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)c1ccc2ccccc2n1	739675933	IPPYJSDCHXFZCR-UHFFFAOYSA-N	310.313	1.860	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](Cc1ccccc1)C(=O)OCC	490753064	ILDZOZMSOZREDR-IKESIWSLSA-N	316.357	1.721	50	20	DDGD	
CN(C)CC(=O)NNC(=O)CCCC[C@@H]1CCSS1	733359238	AOYNCCNCZSFZFO-SNVBAGLBSA-N	305.469	1.410	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1cccc(Cl)c1F	901965644	GAIQPFBAQZLQOJ-UHFFFAOYSA-N	318.757	1.592	50	20	DDGD	
CC(C)(C)[C@@H](NC(=O)c1cc(B(O)O)ccc1F)C(F)(F)F	584954278	DKCQBQBMGAHCSC-LLVKDONJSA-N	321.079	1.212	50	20	DDGD	
O=C(NNC(=O)c1cccc(Oc2ccncc2)c1)NC1CC1	732953613	BNHMAMCJUPFHQC-UHFFFAOYSA-N	312.329	1.980	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)COc1cc(C)ccc1C	834923014	UCYISUPREDJBDT-UHFFFAOYSA-N	315.377	1.752	50	20	DDGD	
O=C(CCOc1ccc(F)c(Cl)c1)N1CC[C@H](B(O)O)C1	585075669	IEBPXINLYMNSOH-VIFPVBQESA-N	315.537	1.323	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2ccc([N+](=O)[O-])o2)ccn1	731561584	NBIHHJLCFARJQU-UHFFFAOYSA-N	303.278	1.413	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1nccn1CC(F)(F)F	735410303	AUTTYOVOGFJDHE-UHFFFAOYSA-N	300.244	1.241	50	20	DDGD	
CN(CCCCc1ccccc1)C(=O)c1cccc(B(O)O)c1	584931655	CVVBKLKBFQURHK-UHFFFAOYSA-N	311.190	1.461	50	20	DDGD	
CC(C)(C)N1C[C@H](C(=O)NNc2ccc(Cl)nn2)CC1=O	735687108	QISDNTLAWBFYRA-MRVPVSSYSA-N	311.773	1.220	50	20	DDGD	
O=C(O)[C@H]1C[C@H]1C(=O)NNC(=S)Nc1cccc(Cl)c1	739545950	CHQKLBQGNDKCJJ-BDAKNGLRSA-N	313.766	1.378	50	20	DDGD	
CC(=O)c1cc(C(=O)N2CC[C@H](B(O)O)C2)ccc1OC(C)C	585065140	VCKZIKSCSZKQFW-ZDUSSCGKSA-N	319.166	1.365	50	20	DDGD	
Cn1cc(CCC(=O)N2CC[C@H](B(O)O)C2)c2ccccc21	585065800	KJPDPRYZTSMFPR-ZDUSSCGKSA-N	300.167	1.186	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)[C@@H]1CCC[C@H](C(=O)O)C1	833111119	CYQCMPHFURXNLU-NEPJUHHUSA-N	319.361	1.137	50	20	DDGD	
CC1(C)CCC(CNC(=O)c2cc(B(O)O)ccc2F)CC1	584967509	LEBFXDZUTMLDEC-UHFFFAOYSA-N	307.174	1.452	50	20	DDGD	
Cc1nn(C)c(C)c1C(=NNC(=O)c1ncon1)C(F)(F)F	901289579	HYKUMMPRFGPAIT-UHFFFAOYSA-N	316.243	1.116	50	20	DDGD	
C[C@]1(C(=O)N2CC[C@@H](N3CCCC3=O)C2)C[C@@H]1Br	907693308	DUWSSZVYZRGXAW-NRUUGDAUSA-N	315.211	1.383	50	20	DDGD	
COc1ccccc1SCC(=O)NN=C(C)c1cnn(C)n1	834966516	JIEAEKPESMRIGO-UHFFFAOYSA-N	319.390	1.456	50	20	DDGD	
CC1(C)COCCN1CCNC(=O)[C@@]1(C)C[C@@H]1Br	906555472	MYTXAPURDYSDBF-GWCFXTLKSA-N	319.243	1.387	50	20	DDGD	
CCO[C@@H]1C[C@@H](NCc2cccc(B(O)O)c2)C12CCCC2	585027518	VKOKHGBRRVGBTN-HZPDHXFCSA-N	303.211	1.194	50	20	DDGD	
CCN1C(=O)C(=NNC(=O)c2c[nH]nc2C)c2cc(C)ccc21	735410489	HZQIPGVFCMJUFO-UHFFFAOYSA-N	311.345	1.527	50	20	DDGD	
C[C@H]1C[C@@H]1c1ccc(CNC(=O)c2ccc(B(O)O)c(F)c2)o1	584931614	BRSDUEOMSDDURK-CABZTGNLSA-N	317.125	1.152	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)O)c(OC(F)F)c1	737693132	JKIWOBZLQLMBPH-UHFFFAOYSA-N	319.220	1.379	50	20	DDGD	
COc1cc(NCc2ccc(B(O)O)cc2F)cc(OC)c1C	585043043	KJKDJLBDLWQXCS-UHFFFAOYSA-N	319.141	1.443	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(F)cn1)C(=O)N1CCCC[C@H]1C	731366321	ZASMUIHMFGRCOI-GHMZBOCLSA-N	323.372	1.636	50	20	DDGD	
O=C(CCCCCc1ccc(F)cc1)NNC(=O)c1ncon1	832826378	YHTMNGSSQFYLSN-UHFFFAOYSA-N	320.324	1.773	50	20	DDGD	
C[C@H]1CC[C@H](CNC(=O)NNC(=O)c2cc3c(s2)CCC3)O1	838742134	ONRBLAFYILVHBP-GXSJLCMTSA-N	323.418	1.748	50	20	DDGD	
CN(CCO)c1ccc(C=NNC(=O)[C@H]2CCCCO2)cc1	834989315	GJOVFQVAHFDIDY-OAHLLOKOSA-N	305.378	1.134	50	20	DDGD	
CC(C)(C)Oc1ccc(C(=O)Nc2cccc(B(O)O)c2)nc1	584912540	RYHCQSMOSIAFKX-UHFFFAOYSA-N	314.150	1.191	50	20	DDGD	
C[C@H](CS(C)(=O)=O)NC(=O)NNc1ccc(Cl)cc1F	918606358	AYAWYJAOVOPWTK-SSDOTTSWSA-N	323.777	1.538	50	20	DDGD	
Cn1cc(/C=C\C(=O)NNC(=O)c2cccc(Cl)c2)cn1	917108399	LHOAIKRXOLREKX-WAYWQWQTSA-N	304.737	1.548	50	20	DDGD	
CC(C)(CCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1)C1CC1	838624936	GETSCRHHJUUVJD-CQSZACIVSA-N	317.455	1.194	50	20	DDGD	
N#C/C(=C/c1ccc(C(=O)O)[nH]1)C(=O)NCCc1ccccc1	833064937	YJEDSVNOAZUBCQ-RAXLEYEMSA-N	309.325	1.979	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](C)Cc2cnn(C)c2)c1	837522276	GDSGRUQUCVTPOY-NSHDSACASA-N	316.361	1.529	50	20	DDGD	
CC(F)(F)CCC(=O)OCC(=O)NNC(=O)c1cccs1	919293203	BTJQOBGDNJAWLD-UHFFFAOYSA-N	320.317	1.488	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@H]2CCCCO2)cnn1CC(C)C	836483309	QWVLTVQJSCTJAB-CYBMUJFWSA-N	323.397	1.569	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CC(F)(F)F)cc(OC)c1C	918364612	QTFYDIKOFYVRKI-UHFFFAOYSA-N	320.267	1.726	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C	910161147	UEGVAZGFDYPRHJ-WDEREUQCSA-N	317.430	1.270	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NC[C@H]1CCC[C@@H]1C1CC1	840394368	FWQSCGGYGBISLN-HUUCEWRRSA-N	316.405	1.781	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)c2cc3ccccc3o2)cn1	749478978	SLENTJAONIAKLI-UHFFFAOYSA-N	305.293	1.884	50	20	DDGD	
CCCn1c(C=NNC(=O)N2CCOCC2)nc2ccccc21	745592448	XMHFGTQXNAKJPJ-UHFFFAOYSA-N	315.377	1.822	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	915263095	NPNRPYXAXFHGCZ-NSHDSACASA-N	319.405	1.660	50	20	DDGD	
CCCC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)[C@H]1CC1(C)C	841620756	KWZWBYRDLPOJFT-WDEREUQCSA-N	315.439	1.675	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CSc1ccccc1[N+](=O)[O-])C1CC1	844127968	WXGJYYCYXRGHHH-VIFPVBQESA-N	323.374	1.880	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)CNc1ccc(OC)cc1	749757491	NJVHMSOXOTZONZ-SNVBAGLBSA-N	310.423	1.401	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1ccccn1)NC(=O)OC(C)(C)C	742463221	PFVYBHAHCYUTHR-JTQLQIEISA-N	322.365	1.146	50	20	DDGD	
Cc1nccc(C(=O)NNC(=O)c2ccc(Cl)cc2O)n1	918361855	JERABBRSCXRXPQ-UHFFFAOYSA-N	306.709	1.219	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	843642105	VNWHFMHUMYRPAJ-MRMKPGFVSA-N	304.346	1.281	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H]2COCCO2)c1	745173092	FPNYFOAQNPKWHR-GFCCVEGCSA-N	309.391	1.036	50	20	DDGD	
COc1cc(C)nc(NNC(=O)COc2cc(C)cc(C)c2)n1	746632884	KNCGGCCOUUWMAK-UHFFFAOYSA-N	316.361	1.933	50	20	DDGD	
CCNC(=O)NNS(=O)(=O)c1cccc(O[C@@H](C)CC)c1	849307276	NIYGPXCHHVHNQM-JTQLQIEISA-N	315.395	1.376	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NN=C2CO[C@H](C)C2)n[nH]1	842528578	KGOZNVFXROJAKO-SNVBAGLBSA-N	314.345	1.980	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1nn(C)c(=O)c2ccccc12	848081048	VWUAJLKYSAKKEQ-UHFFFAOYSA-N	314.172	1.809	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNc1ccc(OC(F)F)cc1	748643746	NQNNOOJFJXZSRZ-MRVPVSSYSA-N	301.293	1.646	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1cnn(Cc2ccccc2)c1	842555114	JPXGZUBNJHMUSX-CZUORRHYSA-N	312.373	1.807	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnn(Cc2ccccc2)c1C	920858501	WONMHHWBRJPORT-UHFFFAOYSA-N	301.350	1.204	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O	854128297	DGMOAQWCGYQBED-GXTWGEPZSA-N	320.368	1.914	50	20	DDGD	
CNC(=O)[C@H](C)NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	852398534	GCJNRVLMJNHRRQ-JTQLQIEISA-N	320.393	1.063	50	20	DDGD	
C[C@H]1CCN(C[C@@H](CBr)C2CC2)CCS1(=O)=O	859277830	COWREMFTEBDJDG-CMPLNLGQSA-N	324.284	1.917	50	20	DDGD	
CCC(=NNC(=O)CCCNC(=O)C(C)(C)C)c1cn[nH]c1	853407719	BMDZUKAPRUEINV-UHFFFAOYSA-N	307.398	1.583	50	20	DDGD	
Cc1nn(C)c(Cl)c1/C=C(\C#N)C(=O)Nc1ccn(C)n1	759085544	GDOVLEJYNHPYQR-RMKNXTFCSA-N	304.741	1.661	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2ccc(Cl)cc2F)CCC(=O)N1	922804930	HGXNCIONTZRSAF-ZDUSSCGKSA-N	314.748	1.774	50	20	DDGD	
CCn1ccnc1C=NNC(=O)Nc1ccc(C(=O)O)cc1	755749875	KOIGLVBPGVHONT-UHFFFAOYSA-N	301.306	1.757	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@]2(C)C[C@H]2Br)nn1	856899381	NVGSGDLXWNYYPF-KCJUWKMLSA-N	314.187	1.585	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)N[C@H](Cc1ccccc1)C1CC1	858237657	MGTBBIBMTBJPEH-CQSZACIVSA-N	313.361	1.375	50	20	DDGD	
Cc1ccc(C(=O)NNC(=S)NCCc2cccnc2)o1	752245272	PQYQYIGQWFCBLH-UHFFFAOYSA-N	304.375	1.335	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)COc1ccc(C=O)cc1)C1CC1	855100416	BHSOOPVUHKPNAP-JTQLQIEISA-N	321.402	1.172	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2CC23CCNCC3)C[C@H]1Br	857007362	JQYCCWMFPFOPSS-CKYFFXLPSA-N	301.228	1.666	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)N[C@@H]2C=CCC2)cc1	852510832	WIINLOATNMTOME-LLVKDONJSA-N	303.366	1.807	50	20	DDGD	
CCOC(=O)C[C@@H](O)COC(=O)/C(C#N)=C/c1ccc(C)cc1	859455223	YZLKCLUTUZELEG-UJMHRVFCSA-N	317.341	1.759	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(-c2ccccc2OC)on1	921040776	DCSUTOZFZDOSRY-UHFFFAOYSA-N	318.333	1.704	50	20	DDGD	
CCC[C@H](C)NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	851922496	MVMLDFZXUAYKLZ-NSHDSACASA-N	314.430	1.448	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H]2CCCC[C@H]2CN)C[C@@H]1Br	857103461	JPSXFPJJOBXYAQ-SRRSOLGSSA-N	318.259	1.977	50	20	DDGD	
CN(C(=O)OC(C)(C)C)C1(C(=O)NNc2ncccn2)CCC1	858320661	YGYAULGKIPVOQO-UHFFFAOYSA-N	321.381	1.709	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	854922195	AKVZKTKVGSYXFK-SFYZADRCSA-N	317.336	1.675	50	20	DDGD	
O=C(NCCCc1nc[nH]n1)NNc1cc(F)c(F)c(F)c1	923141880	GNAIOBCQSWNFQJ-UHFFFAOYSA-N	314.271	1.481	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)OCC(=O)NCC(C)(C)C)cn1	859708908	DFCPFKGWBIPJEA-XGICHPGQSA-N	304.350	1.033	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)[C@H](C)C2(C)CC2)cc1	752357088	XWWGOBFZIDTYOA-CYBMUJFWSA-N	303.406	1.876	50	20	DDGD	
CC(C)(CCO)CNC(=O)NC[C@@]1(C)C[C@H]1Br	856956446	PNBPVPYXRLEHPJ-BXKDBHETSA-N	307.232	1.868	50	20	DDGD	
Cn1ncc(C2CC2)c1CNC(=O)NNc1ccc(F)cn1	852578196	WKMQICVXZPNUAY-UHFFFAOYSA-N	304.329	1.658	50	20	DDGD	
COc1cc(C)c(C=NNC(=O)c2cnn(C)c2)cc1OC	751528722	JMIANDOLHMJGQX-UHFFFAOYSA-N	302.334	1.510	50	20	DDGD	
COCCOc1ccccc1C=NNC(=O)c1cnn(C)c1	751530132	YRSRTFYIJIHZMW-UHFFFAOYSA-N	302.334	1.209	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@H]2C[C@@H]2C2CC2)cc1OC	751299738	LZTOUNNCGBTSPN-CHWSQXEVSA-N	318.373	1.901	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cn(CC(F)F)nc2C)n1	935753425	RNFNQCZSUAXORB-UHFFFAOYSA-N	323.303	1.235	50	20	DDGD	
CC(C)N1CCC(C(=O)NNC(=O)c2cccc(F)n2)CC1	856424006	GEYVKKIWFMHQNE-UHFFFAOYSA-N	308.357	1.102	50	20	DDGD	
Cc1ncc(C=NNC(=O)CNC(=O)c2cccs2)s1	750942958	BUOSFAMUVQTSDI-UHFFFAOYSA-N	308.388	1.393	50	20	DDGD	
CCCN(CC)Cc1ccc(C(=O)NN(C)C(=S)NC)cc1	854925679	KYLLXNUUKCRBBP-UHFFFAOYSA-N	322.478	1.999	50	20	DDGD	
CC[C@H](C)NC(=O)c1ccc(NC(=O)NNC(=O)COC)cc1	756185713	DAGSGMQRBIYWSU-JTQLQIEISA-N	322.365	1.014	50	20	DDGD	
O=C(CO)NNC(=O)Nc1cccc(Oc2ccncc2)c1	756547243	AIUYXMUDPVYZPV-UHFFFAOYSA-N	302.290	1.019	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cnn(CC2CC2)c1	869454829	HOWMZHZQVXGQOZ-UHFFFAOYSA-N	312.242	1.725	50	20	DDGD	
CN(C(=O)C1CC1)c1ccc(NC(=O)NNC(=O)C2CC2)cc1	932608191	WJEJWRHWYOIQFK-UHFFFAOYSA-N	316.361	1.622	50	20	DDGD	
CNC(=O)Nc1ccc(C(=O)NNC(=O)C2CCCC2)cc1	930134879	VDHGFPCFYPESLK-UHFFFAOYSA-N	304.350	1.389	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)N[C@](C)(C1CC1)C(F)(F)F	933580934	WQTVAIMYHSYPBH-LLVKDONJSA-N	319.287	1.393	50	20	DDGD	
COC/C=C\C(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	867852218	DIYOQJSFNVVKEY-VAWSOJLPSA-N	312.753	1.457	50	20	DDGD	
CSc1ccsc1C(=O)NNC(=O)Cc1cc(C)[nH]n1	869012190	JQRXBYAIFAHNOQ-UHFFFAOYSA-N	310.404	1.505	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=CC1CCC(C(F)(F)F)CC1	863186852	OHUOMZBKDKQNNB-UHFFFAOYSA-N	314.329	1.502	50	20	DDGD	
Cc1cc(C(=O)NNc2ccccc2S(C)(=O)=O)c(C)n1C	766670078	NYMOJINCRPCWFD-UHFFFAOYSA-N	321.402	1.802	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)[C@@H]2CCSC2)nc2ccccc21	761794885	SMEUEFPNWNUCKP-SNVBAGLBSA-N	318.402	1.016	50	20	DDGD	
C[C@@H](NNC(=O)C(=O)Nc1ccc(Cl)cc1)C(F)(F)F	862308039	WMRAIHGLSMNXOE-ZCFIWIBFSA-N	309.675	1.850	50	20	DDGD	
Cc1cc(C(=O)NN[C@@H](C)C(F)(F)F)n2nc(C)cc2n1	862310410	WZRXZHUGDHCOJD-QMMMGPOBSA-N	301.272	1.531	50	20	DDGD	
CC(Cc1ccc2c(c1)CCCC2)=NNC(=O)[C@H]1CCC(=O)N1	863151258	JMWQNRXSXZMLPN-MRXNPFEDSA-N	313.401	1.879	50	20	DDGD	
CO[C@@H](C)C(C)=NNC(=O)c1csc(N2CCOCC2)n1	763141230	VJLVGPIIVNOUFQ-JTQLQIEISA-N	312.395	1.120	50	20	DDGD	
COCCOCC(=O)NNC(=O)CC1CCC(C)(C)CC1	869907729	CUQPVEAYDVENPV-UHFFFAOYSA-N	300.399	1.403	50	20	DDGD	
N#CCOc1ccc(Cl)cc1COc1ccc(B(O)O)cc1	864048334	RMGBLHALNQZBKT-UHFFFAOYSA-N	317.537	1.501	50	20	DDGD	
CCO[C@H](C(=O)NNc1ccc(C(F)(F)F)nn1)C1CC1	860401936	VPPGWYJNVVOQFR-JTQLQIEISA-N	304.272	1.754	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1C[C@H](CO)OC(C)(C)C1	867420726	IMJOLUMRZXCKPB-SNVBAGLBSA-N	313.847	1.053	50	20	DDGD	
O=C(NNC(=O)C1(c2ccccc2F)CCCC1)c1cn[nH]c1	862473249	KZBZPMKNZHIOPN-UHFFFAOYSA-N	316.336	1.822	50	20	DDGD	
COc1ccc(NNC(=O)c2cc([N+](=O)[O-])c[nH]2)c([N+](=O)[O-])c1	767840467	OIKILFJPEDHBAE-UHFFFAOYSA-N	321.249	1.597	50	20	DDGD	
CCn1c(NNC(=O)C2CSC2)nc2ccccc2c1=O	864721548	RAUBJWYSIMSTRR-UHFFFAOYSA-N	304.375	1.223	50	20	DDGD	
C[C@H](C[C@H](O)c1ccccc1)NS(=O)(=O)CBr	769933920	KEJNZDWMNDNWMS-KOLCDFICSA-N	322.224	1.770	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)N[C@@H]1CC12CCC2	876428184	UZDRTQVCPNXWHI-GFCCVEGCSA-N	307.325	1.478	50	20	DDGD	
COc1ccccc1C(=O)C(=O)NNC(=O)c1ccc(C)o1	760903745	XJFFEUNCSNVTQU-UHFFFAOYSA-N	302.286	1.241	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)cc1	1116413645	DQDXPGNJIILVJS-CMPLNLGQSA-N	304.346	1.462	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C1	875004612	BTJDNMDUSNXHHT-ZDUSSCGKSA-N	306.366	1.173	50	20	DDGD	
Cn1ccc(NNC(=O)c2cncn2-c2ccc(F)cc2)n1	1116852618	OOIUMVRIZPSQHB-UHFFFAOYSA-N	300.297	1.502	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCn1cnc2ncc(C#N)c(=O)n21	871767993	MGAPPPVFPQZFCW-UHFFFAOYSA-N	319.441	1.784	50	20	DDGD	
CC(=NNC(=O)c1cc(Br)c[nH]1)c1cnn(C)c1C	778540768	SWISBLVHMRDFJH-UHFFFAOYSA-N	324.182	1.973	50	20	DDGD	
CCC(=O)NNC(=O)Nc1nn(CC(F)(F)F)cc1Cl	879921598	HWKBHKJYEQBUFF-UHFFFAOYSA-N	313.667	1.662	50	20	DDGD	
O=C(CSc1ncco1)NNC(=O)c1cccc(Cl)c1	772246159	JUVHQIJLXKNHHF-UHFFFAOYSA-N	311.750	1.881	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1cnc([C@H](C)O)s1	773056341	VTXWZRKFFCCBPN-JTQLQIEISA-N	319.386	1.898	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc(N2CCCC2=O)c1	878089644	QDDDQHZTMZLABV-UHFFFAOYSA-N	306.366	1.428	50	20	DDGD	
CCc1ccc(S(=O)(=O)N2CC=C(C#N)CC2)cc1C(=O)O	871935441	XKFSAHXYXCGTPR-UHFFFAOYSA-N	320.370	1.792	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNc2ncccn2)cc1C	775601271	ACWVWMXRTLEVMJ-UHFFFAOYSA-N	301.306	1.720	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CSC(F)F	771952031	ULXUAFVIURBEIG-ZETCQYMHSA-N	312.338	1.067	50	20	DDGD	
O=C1CCc2cc(NC(=O)NNc3ncc(F)cn3)ccc2N1	775475691	OPYCZLLGSPXMSM-UHFFFAOYSA-N	316.296	1.649	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N[C@@H](C)c1ccc(C#N)cc1	775159235	DINFQVLIQPEBHP-STQMWFEESA-N	316.405	1.791	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1c(C)cnn1CC1CC1	1119692421	GPDABRDVAMXYDG-UHFFFAOYSA-N	303.366	1.558	50	20	DDGD	
CC(=O)NCCCCCC(=O)NNc1nc2ccccc2[nH]1	870213191	VZFFNYLXSROSPO-UHFFFAOYSA-N	303.366	1.703	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@@H]1C1CCOCC1)c1ccccc1	776884700	MZXGWWPGPBZMJN-OAHLLOKOSA-N	317.389	1.932	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2cccnn2)c1	775031710	FGUVSHXKGRDKIN-UHFFFAOYSA-N	301.306	1.090	50	20	DDGD	
Cc1ccc(CC(=O)NNc2ccnc(N(C)C)n2)cc1O	772916548	MOJIRNURUKBGLP-UHFFFAOYSA-N	301.350	1.242	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1cccc(F)c1F	776258908	AOTLMVMSDOKSJG-JTQLQIEISA-N	300.305	1.857	50	20	DDGD	
COC(=O)c1ccn(CC(=O)OC[C@@H](C)CBr)n1	885047182	XRPUTGASKCHIQX-QMMMGPOBSA-N	319.155	1.244	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(C)cc(C(=O)OC)c1	887150500	MRXGVNRPRJCODC-UHFFFAOYSA-N	302.330	1.346	50	20	DDGD	
COC(=O)Cn1cccc1C=NNC(=O)c1ccc(C#N)cc1	776180435	NABYYEKXQOAPFD-UHFFFAOYSA-N	310.313	1.297	50	20	DDGD	
O=C(NNc1ccccn1)c1cnc(O)c(Br)c1	777471528	OAIOWMQCOUVWIG-UHFFFAOYSA-N	309.123	1.702	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2ccccn2)cc(OC)c1	784795651	CSVBQMGRNGYDSK-UHFFFAOYSA-N	316.317	1.181	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC(CCCO)CC1	782542865	TWYREUKWFOLAJJ-ZDUSSCGKSA-N	313.442	1.053	50	20	DDGD	
CC[C@H]1CN(C(C)=O)[C@H](CC)CN1S(=O)(=O)CCCCl	881959323	KAWASYIGMXSPSU-OLZOCXBDSA-N	324.874	1.666	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1[C@H]2CC[C@H]1CC(=O)NC2	787414573	PQAKSDGHOFARPL-DUYRLRNSSA-N	311.341	1.179	50	20	DDGD	
N#Cc1cccc(NNC(=O)CSc2nnc3ccccn23)c1	782752002	LVRJMZCQTXPUJA-UHFFFAOYSA-N	324.369	1.836	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(Cl)cc1F)N1CCN(C)CC1	885107852	PWLRWAKGPFTDHH-JTQLQIEISA-N	314.792	1.558	50	20	DDGD	
Cc1ccc(C#N)cc1NC(=O)C(=O)NN(C)c1ccccc1	783431970	LZTWJSCZBIRWGZ-UHFFFAOYSA-N	308.341	1.973	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2cc3c(s2)CCC3)no1	895519312	VGHPRKYVFRPYFV-UHFFFAOYSA-N	305.359	1.862	50	20	DDGD	
Cn1ncc(Cl)c1C=NNC(=O)CCN1CCCCCC1	780200895	OHJKIAIPNGGXHQ-UHFFFAOYSA-N	311.817	1.790	50	20	DDGD	
N#C/C(=C/c1ccccc1)C(=O)OCCn1cc([N+](=O)[O-])cn1	785343310	CNYSARBZHSGLSD-JYRVWZFOSA-N	312.285	1.942	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(NC(N)=O)cc2)n1	780770232	NHTORTQTWRHCRC-UHFFFAOYSA-N	301.306	1.338	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)C2=CCOCC2)cc1C	794658866	QKPYVUQRUVRKEI-UHFFFAOYSA-N	304.346	1.962	50	20	DDGD	
O=C(COC(=O)C1CCCC1)NNC(=O)c1cccc(Cl)c1	790093064	XZOGWBKYINWGIW-UHFFFAOYSA-N	324.764	1.834	50	20	DDGD	
CN(C)C(=O)OCCNS(=O)(=O)c1ccc(CCl)cc1	689055350	QYUCGQCICCYNPN-UHFFFAOYSA-N	320.798	1.402	50	20	DDGD	
Cc1ccc(O[C@H](C)C(=O)NNC(=O)c2cccc(C)n2)cc1	794083261	GLSQKJKBUYFADT-CYBMUJFWSA-N	313.357	1.927	50	20	DDGD	
C[C@H]1CCCC[C@H]1OCC(=O)NNc1nc2ccccn2n1	791258361	UAUICYBZQOHAQM-NWDGAFQWSA-N	303.366	1.768	50	20	DDGD	
COCCN(C)c1ccc(C=NNC(=O)C2CCCC2)cn1	790158335	PHXRFQJTTSRQPU-UHFFFAOYSA-N	304.394	1.805	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)NCC(F)(F)F)c(F)c1	798313909	RLLIIJMHCZBBPH-UHFFFAOYSA-N	321.230	1.535	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCCO2)c1cc(C)on1	790289722	FJSALIQWTFPUFX-UHFFFAOYSA-N	301.302	1.908	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccc(Br)cc1F	1319044560	GLHYQHLKNRRPMZ-UHFFFAOYSA-N	303.087	1.211	50	20	DDGD	
C#CCOc1ccc(C(=O)NNC(=O)c2ccc(OC)cc2)cc1	1319058330	LDQRAEFKQWIFMB-UHFFFAOYSA-N	324.336	1.782	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)c1ccc2nncn2c1	1322222812	PVCIKAVHJWUXFO-UHFFFAOYSA-N	315.720	1.458	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccc(Cl)c(OC(F)F)c1	1320280520	RQJXECIWQXBPME-UHFFFAOYSA-N	323.683	1.477	50	20	DDGD	
C[S@](=O)c1ccc(NC(=O)NNC(=O)c2ccccn2)cc1	1320423715	AMLDAUGFILTMFT-QFIPXVFZSA-N	318.358	1.286	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1c[nH]c(C(F)(F)F)c1	1324647971	GMQYDVRQCWGJHH-LURJTMIESA-N	313.301	1.389	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@H]1CCc2ccccc21	1328132734	XBXPKNGLIFXQQI-IACUBPJLSA-N	317.389	1.472	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1n[nH]c2c1CCCC2)C1CCCC1	1322324418	BBYNJRJZVUOQQQ-SNVBAGLBSA-N	304.394	1.876	50	20	DDGD	
O=C(CCO)NN=C1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]12	1323611073	ZLCFNAVOXKLPKW-HZPDHXFCSA-N	315.417	1.773	50	20	DDGD	
COc1ccc(NNC(=O)Cn2c(=O)oc3ccccc32)cc1	1326562583	MZTAGMPUWRQCLW-UHFFFAOYSA-N	313.313	1.746	50	20	DDGD	
CN(C)[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)OC(C)(C)C	1321745018	XAPRSDNDZDFDJQ-QWRGUYRKSA-N	300.403	1.598	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2CCC[C@H]2OC)cc1	1335959092	CFDYKROMPJYJRB-HUUCEWRRSA-N	320.389	1.590	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1ccccc1CCC	1337761622	IOOKNGCQXCOKFF-UHFFFAOYSA-N	315.373	1.529	50	20	DDGD	
CCn1ccnc1[C@H](C)NC(=O)NNc1nncc(N)c1Cl	1261286014	KSXASFGTCNUQGR-ZETCQYMHSA-N	324.776	1.316	50	20	DDGD	
C[C@]1(C(=O)N2CC[C@]3(CCOC3=O)C2)C[C@@H]1Br	1337620763	RBRCTQZEDAGMTR-UWJYBYFXSA-N	302.168	1.326	50	20	DDGD	
CC[C@@H]1C[C@H](C(=O)NNC(=O)c2ccc(OC)cc2)CCO1	1341996156	ITJDMDLUGHEGGT-CHWSQXEVSA-N	306.362	1.661	50	20	DDGD	
Cc1cnn(CC2CC2)c1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	1345791900	QOSXMTZGBXDZSE-ZYHUDNBSSA-N	321.381	1.179	50	20	DDGD	
C[C@@H]1[C@@H](C(=O)NNC(=O)COc2ccc(F)cc2)C1(F)F	1518774934	QTBOLMMUWCLRKL-HQJQHLMTSA-N	302.252	1.253	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NCC2(C(=O)O)CCC2)nn1	1602922895	FBIBAWNHPVIMCY-UHFFFAOYSA-N	321.381	1.655	50	20	DDGD	
O=C(O)[C@H]1C[C@@H](C(=O)NNc2nc3ccccc3[nH]c2=S)C1	1608822094	YWIIBHDWSZJOJD-OCAPTIKFSA-N	318.358	1.846	50	20	DDGD	
COc1nc(C)ccc1C(=O)NNc1ccc(C(=O)O)cc1F	1607356534	AHRIGPMKYHWIFI-UHFFFAOYSA-N	319.292	1.993	50	20	DDGD	
CO[C@H]1CCCC[C@H]1C(=O)NNc1ccc(CC(=O)O)cc1	1606748964	XECWLELHMLCMSV-KGLIPLIRSA-N	306.362	1.962	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)[C@@H](O)c2ccccc2)cc1	1602129166	RHPJZSGAEKFFLF-HNNXBMFYSA-N	300.314	1.490	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)[C@@H]1CCC(=O)c2cccn21	1608948363	UASGXMQUGIHCMU-ZDUSSCGKSA-N	313.313	1.847	50	20	DDGD	
C[C@@H]1O[C@H](C)CC1=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1609155912	WVJJEZITEMFWNC-BDAKNGLRSA-N	300.322	1.150	50	20	DDGD	
Cn1cc(NC(=O)NNc2ccc(Cl)cn2)cc1C(=O)O	1600965697	KAFHLTWESRCZJV-UHFFFAOYSA-N	309.713	1.920	50	20	DDGD	
O=C(O)CCCC=NNC(=O)c1cncn1-c1ccccc1	1606142612	WBBFNKYYRFYZQJ-UHFFFAOYSA-N	300.318	1.843	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cccc[n+]2[O-])cc1Cl	1602383206	XQTWYEIIBLYQQL-UHFFFAOYSA-N	307.693	1.429	50	20	DDGD	
N[C@@H]1CCC[C@H](NC(=O)NNc2ccc(C(=O)O)cc2F)C1	1610643907	WUZXXGOVHQHAOZ-ZJUUUORDSA-N	310.329	1.420	50	20	DDGD	
C[C@H](CO)N1CCCN(C(=O)C2CCC(Cl)CC2)CC1	1548693041	KTODWSLTNFCAEA-IYXRBSQSSA-N	302.846	1.699	50	20	DDGD	
CC[C@@H](C)Oc1ccc(C(=O)NNC(=O)[C@H]2CCCNC2)cc1	1577003762	NZRQMEWDQYRVEY-OCCSQVGLSA-N	319.405	1.625	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@@H]2C[C@H]3CN[C@@H](C3)C2)cc(C#N)n1C	1579529360	DYNWLRZXPSVGEZ-SAQUNOQNSA-N	323.400	1.369	50	20	DDGD	
CC(C)C[C@@H]1C[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1589656080	IQIVGKMSHQERJA-GHMZBOCLSA-N	301.354	1.387	50	20	DDGD	
N#Cc1ccc(NNC(=O)NCc2cccc3c2CCNC3)nc1	1580070175	SFCQSFHFFIALNM-UHFFFAOYSA-N	322.372	1.425	50	20	DDGD	
COC[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](F)Cl	1847865878	ZLTNUJSCQCKOHH-RCWTZXSCSA-N	306.765	1.005	50	20	DDGD	
NCC(F)(F)CC(=O)NNC(=O)Nc1cc(F)cc(F)c1	1580217687	WNTDVFLDIOATGE-UHFFFAOYSA-N	308.235	1.102	50	20	DDGD	
O=C(O)/C=C\c1cc(C(=O)NNC(=O)CC(F)(F)F)co1	1594968865	SLOGPNVKPURJRC-UPHRSURJSA-N	306.196	1.091	50	20	DDGD	
Nc1cc(F)c(F)cc1C(=O)NNc1ncccc1C(=O)O	1594663691	NLMQLLKIUVHAKF-UHFFFAOYSA-N	308.244	1.397	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1cnc2ccccc2n1	1594781425	OGYVNBTYPRNGPP-UHFFFAOYSA-N	309.285	1.480	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NN=Cc1cc(C(=O)O)ccc1OC	1776101935	BZQNYWIPBHSZLS-AAEUAGOBSA-N	306.318	1.269	50	20	DDGD	
COCc1nocc1C=NNC(=O)c1cccc(C(=O)O)c1	1776096151	NRXORCRWWSOHOR-UHFFFAOYSA-N	303.274	1.283	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1ccc(C(=O)O)cc1C	1776044688	PQHDBNONLWVMFM-UHFFFAOYSA-N	300.318	1.581	50	20	DDGD	
CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)CBr	1792989623	RKCJBBCGDHERIH-IXLVHKGHSA-N	317.227	1.676	50	20	DDGD	
O=C(NN=Cc1cnn(CCF)c1)Nc1ccc(C(=O)O)cc1	1776046445	QJKMIPDMRYVMQS-UHFFFAOYSA-N	319.296	1.706	50	20	DDGD	
C[C@H](Cn1ccnc1)NC(=O)NNC(=O)CCc1ccccc1	158405775	OYOLEGMLVSEHMD-CYBMUJFWSA-N	315.377	1.235	50	20	DDGD	
COC(=O)NNC(=O)c1nn(-c2ccccc2C)c2c1CCC2	158812088	XXWZKYOPPFTXOW-UHFFFAOYSA-N	314.345	1.670	50	20	DDGD	
CCCN(CC)c1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)cn1	160203700	FQXNIFDQOPXDCN-ZDUSSCGKSA-N	320.393	1.258	50	20	DDGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CC(O)C2)c1C	156155393	PRVMJCYRPXHMJA-CJTQKWKHSA-N	317.389	1.422	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)nc1	157654048	VZSWGFQQZGLSRE-YUTCNCBUSA-N	318.377	1.674	50	20	DDGD	
CCc1ccccc1OCC(=O)NNc1ncnc2nc[nH]c12	156330692	WGMLVSYTSMOHOZ-UHFFFAOYSA-N	312.333	1.437	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@@H](Cc1ccccc1)C1CC1	154149163	IJSIFMRKIVSULY-HNNXBMFYSA-N	312.373	1.980	50	20	DDGD	
COc1ccc(CCNC(=O)NNc2ccc(OC)cn2)cc1	156501124	RTPFGXSFRCQISS-UHFFFAOYSA-N	316.361	1.968	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)c2ccc(CCl)cc2)CC[C@@H]1O	311346251	CDBGWJTUXKDNFB-GWCFXTLKSA-N	303.811	1.817	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)CCn1ccnc1	862287625	WEFUCNQEJLLMFT-UHFFFAOYSA-N	302.334	1.573	50	20	DDGD	
COc1cccc(CNC(=O)NNC(=O)Cc2cccnc2)c1	103504416	QDSKIAVORSQRLE-UHFFFAOYSA-N	314.345	1.163	50	20	DDGD	
C[C@@H]1CCC[C@H]1NC(=O)NNC(=O)COc1ccc(F)cc1	105310512	DNLPWLSTGALCKI-ZWNOBZJWSA-N	309.341	1.724	50	20	DDGD	
C[C@@H]1CCC[C@H](NC(=O)NNC(=O)Cc2cccnc2)[C@@H]1C	103594960	VDDLKEADWSNQEC-BZPMIXESSA-N	304.394	1.779	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(C2=NC[C@H](C)S2)CC1	178969165	NIPVISASJZQBTL-OCUQMRJBSA-N	308.407	1.066	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cccnc1SC(F)(F)F	113425260	GVIZNIQUEPMUBV-UHFFFAOYSA-N	322.312	1.016	50	20	DDGD	
O=C(COc1ccc(C(F)(F)F)cc1)NNC(=O)NC1CC1	64427557	BYOFEEBPSBOLPE-UHFFFAOYSA-N	317.267	1.577	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H](C)OC[C@@H]1CCCO1	67435105	IOMOBLWSRCVFFO-NEPJUHHUSA-N	322.361	1.040	50	20	DDGD	
CCC(CC)N1C[C@@H](C(=O)NNc2cc(C)nc(C)n2)CC1=O	172373728	WOTMDJZRWIBGBH-LBPRGKRZSA-N	319.409	1.574	50	20	DDGD	
CCCCn1ncc(NC(=O)NNc2nccc(OC)n2)c1C	119700658	BFLDQJOMXLCHCV-UHFFFAOYSA-N	319.369	1.939	50	20	DDGD	
CC(=O)NCCCNC(=O)NNc1cc(F)c(F)c(F)c1	175297012	XHEKJYYZCIJUNZ-UHFFFAOYSA-N	304.272	1.256	50	20	DDGD	
CCCc1ncc(C(=O)NNC(=O)Cc2cccnc2)s1	172978417	MIAKSCHBEQKCEU-UHFFFAOYSA-N	304.375	1.494	50	20	DDGD	
C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNc1ccc(C#N)c(Cl)c1	1348233543	NHFQGDADYWCYNJ-QMTHXVAHSA-N	319.796	1.043	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(-n2nc(C)cc2C)cc1	65191297	HMGONSBCPMGLPM-UHFFFAOYSA-N	301.350	1.453	50	20	DDGD	
CC(=O)NNC(=O)c1nnn(-c2ccc(F)c(Cl)c2)c1C	66619676	FAOYXEOMDGFABP-UHFFFAOYSA-N	311.704	1.149	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)COc1ccc(C)cc1	173068193	SHLCOXVWQQFTQC-UHFFFAOYSA-N	306.362	1.504	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(F)cc1Cl)c1ccc[nH]1	119670845	FFIMTVAPDHESQH-UHFFFAOYSA-N	317.729	1.431	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cc2ccccc2[N+](=O)[O-])cc1	61474749	LHCGJEONIIVARM-UHFFFAOYSA-N	324.296	1.470	50	20	DDGD	
CC(C)[C@@]1(C)C[C@@H]1C(=O)NNC(=O)Cc1cn2ccccc2n1	186658025	GTLHDKQAEGUXRN-CXAGYDPISA-N	314.389	1.706	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)Cc2cc[nH]n2)cccc1[N+](=O)[O-]	182842959	KGWWWAAWUXMBJM-UHFFFAOYSA-N	318.293	1.022	50	20	DDGD	
COc1nccnc1NNC(=O)CCc1nc2ccccc2[nH]1	184370566	YDEKECOWOIBVRN-UHFFFAOYSA-N	312.333	1.437	50	20	DDGD	
C[C@H](OCC1CC1)C(=O)NNc1ccc(C(F)(F)F)nn1	124170960	LYUVAHVKNVTBDR-ZETCQYMHSA-N	304.272	1.754	50	20	DDGD	
CCC(O)(CC)CNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	75212937	WBTXZTOXGXYYOK-AUWJEWJLSA-N	314.389	1.779	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cnn(-c2ccccc2)c1	70775558	FHISNEGNBKTAMT-NSHDSACASA-N	322.390	1.228	50	20	DDGD	
Cc1nc2ccc(NC(=O)NNC(=O)c3ccncc3)cc2o1	183534512	AJRFCSBGLQGTIM-UHFFFAOYSA-N	311.301	1.998	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)Nc1cccnc1	73117748	SKXIUIGRWQQNOP-UHFFFAOYSA-N	322.328	1.938	50	20	DDGD	
O=S(=O)(CCCCCl)NCc1noc(C(F)(F)F)n1	281201212	PGAPOZAFKOHDHU-UHFFFAOYSA-N	321.708	1.527	50	20	DDGD	
Cc1cccc(F)c1S(=O)(=O)NNC(=O)OC(C)(C)C	186909598	GBVGSOHOLGOPOY-UHFFFAOYSA-N	304.343	1.852	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCc2ccsc2C1	132689770	JTIDGJRKXQYDSA-NSHDSACASA-N	309.435	1.688	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1C[C@H](C)C[C@@H](C)C1	136184573	DXJLWPCKSCDRRC-ZIAGYGMSSA-N	317.433	1.663	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)c2ccc(Cl)nc2)cc1O	89436862	SGYJTCQGNSQGEW-UHFFFAOYSA-N	319.748	1.753	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cc(-n2cccn2)ccn1	134478322	JOTKHPJMSWFWRF-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
CCn1cc(NC(=O)NNc2ccc([N+](=O)[O-])cc2)ccc1=O	194748311	ZHSIZKCOMGZNSK-UHFFFAOYSA-N	317.305	1.925	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc2cccc(C)c2o1	141367335	GHHDJWAGMZKNGR-UHFFFAOYSA-N	305.334	1.722	50	20	DDGD	
Cn1c(C(=O)NNC(=O)c2ccc[nH]2)cc(Cl)c1Cl	97249768	ZZWCIELGJIVNQG-UHFFFAOYSA-N	301.133	1.735	50	20	DDGD	
O=S(=O)(CCCCCl)NC[C@H]1CSCCS1	162621828	ZANDDKYXIXTELC-VIFPVBQESA-N	303.902	1.773	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1ccc([N+](=O)[O-])cc1	254796902	CKLGZRVDRIGHFE-UHFFFAOYSA-N	315.285	1.830	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)CNc2ccc(C)cc2C)O1	268227270	KFRHOCGOWTUJLM-HIFRSBDPSA-N	319.405	1.820	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)CCCc1ccccc1)[C@@H]1CCOC1	266794093	SVWRVGSOCWQWSY-DZGCQCFKSA-N	319.405	1.765	50	20	DDGD	
O=C(/C=C/c1cccnc1)NNc1nnc(-c2ccccn2)s1	365095821	IXJKTKVUDVLECZ-VOTSOKGWSA-N	324.369	2.152	50	20	DDGD	
Cn1cc(-c2ncccc2NC(=O)NN=c2cc[nH]cc2)cn1	365002411	AFRQCUCRCQSTSL-UHFFFAOYSA-N	309.333	1.448	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNC(=O)COc1ccccc1F	272123773	SZLMUITXIFSLNT-LLVKDONJSA-N	312.341	1.415	50	20	DDGD	
CCOC(CCNC(=O)NNc1nc2ccccn2n1)OCC	276838865	OVFZAKYFHAJDFK-UHFFFAOYSA-N	322.369	1.145	50	20	DDGD	
C#CCSCCNC(=O)NNc1cccc(C(=O)OC)c1	272659547	MRHTWFNZVOZVLH-UHFFFAOYSA-N	307.375	1.466	50	20	DDGD	
CO[C@@H]1CCN(C(=O)NNC(=O)c2ccccc2C)[C@@H](C)C1	282224125	FDKIGMNBWRKDIG-QWHCGFSZSA-N	305.378	1.849	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@@H]1CC(=O)N(Cc2ccco2)C1	376196365	BWPPMYQVMQQTQG-SNVBAGLBSA-N	318.308	1.306	50	20	DDGD	
CCN1CCOC[C@@H]1C(=O)NNc1cc(F)c(F)cc1F	378439266	NRUONHALAFGYPC-GFCCVEGCSA-N	303.284	1.268	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccccc1OCCOC	281392706	YAQPFZWLYYJWRI-UHFFFAOYSA-N	309.391	1.007	50	20	DDGD	
COCCN(C)NC(=O)Cc1c(C)nn(-c2ccccc2)c1C	288644391	XQGHBFKWRPAELS-UHFFFAOYSA-N	316.405	1.641	50	20	DDGD	
O=C(CNC(=O)Nc1cccc(Cl)c1)NNC(=O)C1CC1	294228858	DGWIEMOVDLEFTI-UHFFFAOYSA-N	310.741	1.019	50	20	DDGD	
COC(=O)c1cccc(NC(=O)NNC(=O)[C@H]2CCCCO2)c1	296817604	ZEHATFJKSIDUDB-GFCCVEGCSA-N	321.333	1.195	50	20	DDGD	
C=CCOC(=O)/C(C#N)=C/c1ccc(F)c(S(N)(=O)=O)c1	806567903	MYEPAICONQXIEI-UXBLZVDNSA-N	310.306	1.109	50	20	DDGD	
COc1ccccc1C1(CNC(=O)NNc2ccncn2)CC1	296209232	CZGTXDXJYRDVER-UHFFFAOYSA-N	313.361	1.843	50	20	DDGD	
Cn1cnc(/C=C(\C#N)C(=O)NCc2ccc(F)cc2F)c1	800794919	UQJDQGZBLNEZFY-NYYWCZLTSA-N	302.284	1.922	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)Nc2ccc(N(C)C)cc2)no1	802118973	SJJANOCHCYOBHG-UHFFFAOYSA-N	317.349	1.444	50	20	DDGD	
O=C(CCc1nc2ccccc2[nH]1)NNC(=O)[C@@H]1CCCCO1	295254269	ANDBGAQDFYCLLK-ZDUSSCGKSA-N	316.361	1.212	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1ccc(F)cc1Cl	292740573	JAPAOHCHXOYJLT-JTQLQIEISA-N	301.705	1.811	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H](C)OCC)cc1	298389273	DNQBDEMXZIRKQI-VXGBXAGGSA-N	324.377	1.425	50	20	DDGD	
Cc1nc([C@H](C)NC(=O)c2c(C)nn(CCCl)c2C)n[nH]1	804815219	IZJUOPSVOJUKJE-QMMMGPOBSA-N	310.789	1.656	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2ccc[nH]2)cnn1C(C)(C)C	298757162	WWASEQUWDAMRNU-UHFFFAOYSA-N	303.366	1.603	50	20	DDGD	
CC(C)S(=O)(=O)CCNC(=O)NNc1c(F)cccc1F	291742051	GGSZIKKJNKEIPT-UHFFFAOYSA-N	321.349	1.414	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCC1=CCCOC1	807594231	JMNPDCBRCFEUDY-UHFFFAOYSA-N	303.362	1.296	50	20	DDGD	
O=C(NNc1cccc(F)n1)C(=O)Nc1ccc(F)cc1F	807392338	LEHXUZITXONJCM-UHFFFAOYSA-N	310.235	1.581	50	20	DDGD	
CCc1oc(C=NNC(=O)CCN(CC)CC)cc1C(=O)OC	800808641	OKFJAFVPNBBLHB-UHFFFAOYSA-N	323.393	1.811	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)COc2ccc(F)cc2)O1	800315652	ZMYPGAJNJHGJMN-RULNRJAQSA-N	310.325	1.165	50	20	DDGD	
O=C(CCn1ccnc1)NNC(=O)Nc1cc(F)cc(F)c1	802003726	VNPVXNMKRSEJSW-UHFFFAOYSA-N	309.276	1.404	50	20	DDGD	
C[C@@H]1CN(C[C@@H](C)C(=O)NN=CCC(F)(F)F)C[C@@H](C)O1	817323160	SUQKWMICSNCJMS-GMTAPVOTSA-N	309.332	1.786	50	20	DDGD	
Cc1nn(C)c(N)c1C=NNC(=O)[C@H](C)Oc1ccc(F)cc1	814750610	SNOGAPZIISCVGX-JTQLQIEISA-N	319.340	1.367	50	20	DDGD	
CC(C)(CCNC(=O)NNC(=O)CCc1ccccc1)C(=O)O	818624895	UYHDBHYNFHFRPE-UHFFFAOYSA-N	321.377	1.451	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2cnn(C)c2N)cc1C	812719926	SGUYFRSLCMAULC-UHFFFAOYSA-N	317.349	1.244	50	20	DDGD	
O=C(NNc1ncncc1F)Nc1ccc([N+](=O)[O-])cc1F	813840357	WGGPZWRLVBLENP-UHFFFAOYSA-N	310.220	1.812	50	20	DDGD	
O=C(CCc1ccon1)NNC(=O)c1ccc2ccccc2n1	816827929	KXSOXXPKAOZPLK-UHFFFAOYSA-N	310.313	1.617	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1ccc(N2CCCOC2=O)cc1	814832789	WFNZORKCHKUDSE-UHFFFAOYSA-N	318.377	1.435	50	20	DDGD	
Cn1cc(Br)c(C(=O)NNC(=O)C2CCCC2)n1	814485342	HKVXIPJKZNCTOA-UHFFFAOYSA-N	315.171	1.134	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1nnc2ccccc2n1	810513368	YABRDAJFFNPEJT-UHFFFAOYSA-N	300.709	1.252	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2cnc(N(C)C)n2C)cc1	811630683	BTCYWJILOCJQTQ-UHFFFAOYSA-N	314.393	1.357	50	20	DDGD	
COc1cccc2c1OC[C@H](NC(=O)NNC(=O)CC(C)C)C2	728397990	AGLFPLDVVCINQJ-GFCCVEGCSA-N	321.377	1.375	50	20	DDGD	
CC(=NNC(=O)N=c1cc[nH]cc1)c1cccc(-n2ccnn2)c1	815002799	RJMNCTNBXWPZDG-UHFFFAOYSA-N	321.344	1.630	50	20	DDGD	
NS(=O)(=O)c1ccc(C(=O)NNc2ccc(F)cc2)s1	729310902	XRFBUAVBBGOUMZ-UHFFFAOYSA-N	315.351	1.292	50	20	DDGD	
C[C@@H]1CN(c2ccc(C(=O)NN(C)[C@H](C)CO)cc2)C[C@@H](C)O1	823907577	NFQJKODKRDGLJU-MGPQQGTHSA-N	321.421	1.258	50	20	DDGD	
O=C(NNC(=O)c1ncccn1)N[C@@H]1CCC[C@H](C2CC2)C1	823694593	XWFBCBPRYMLDIT-NWDGAFQWSA-N	303.366	1.389	50	20	DDGD	
Cc1nc(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)sc1C	826114984	YHELXTVNIVORJI-WCBMZHEXSA-N	312.395	1.015	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1ccc(-c2nn[nH]n2)nc1	823281901	ZZPJIURAWHZDTM-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
CCO[C@H](C(=O)NNc1cccc(F)c1C(=O)OC)C1CC1	822736006	JXDKYNREWDBHCZ-ZDUSSCGKSA-N	310.325	1.871	50	20	DDGD	
N#CC1=CCN(CC(=O)Nc2sccc2-c2nn[nH]n2)CC1	826380635	IIFXSGIMYBMECJ-UHFFFAOYSA-N	315.362	1.022	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C1(C#N)CCC1	494093878	FJKCREMCSOLGSB-UHFFFAOYSA-N	324.381	1.133	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C(C)(F)F)cc1F	822649175	QSGLGMYBZFJKJY-UHFFFAOYSA-N	307.297	1.807	50	20	DDGD	
CCC(C=NNC(=O)CO)(CC)CNC(=O)OC(C)(C)C	497135821	YHSHQHNUCQHZAB-UHFFFAOYSA-N	301.387	1.412	50	20	DDGD	
C[C@@H]1CCCC[C@H]1OCCNCc1ccc(B(O)O)cc1F	585015480	CVWYOXWRWKESDX-MLGOLLRUSA-N	309.190	1.190	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)C1(Br)CC1)C1CC1	824327256	DBVFJUIIPYNRJC-ZCFIWIBFSA-N	306.229	1.208	50	20	DDGD	
Cc1ccc(S(=O)(=O)NN(C)C(=O)OC(C)(C)C)cn1	497188959	BYGKVGRPQXXRPX-UHFFFAOYSA-N	301.368	1.450	50	20	DDGD	
O=C1CCCN1Cc1cccc(NCc2cccc(B(O)O)c2)c1	585011766	FCGVBQMEURSIRI-UHFFFAOYSA-N	324.189	1.101	50	20	DDGD	
Cc1ccc(C)c([C@H](C)N(C)C(=O)c2ccc(B(O)O)cc2)c1	584948620	INKCLVHRMADRJZ-AWEZNQCLSA-N	311.190	1.816	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC[C@@H](CC(C)(C)C)C1	827259587	KUCOXBYRQMAFPQ-RWMBFGLXSA-N	311.426	1.910	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccc(C#N)cc1	825732943	ICBXOPOTHMYIMM-MISXGVKJSA-N	316.361	1.375	50	20	DDGD	
CCOc1ccc(OCCCC(=O)NN(C)[C@@H](C)CO)cc1	823987092	FCYWJWZRQYNPRJ-ZDUSSCGKSA-N	310.394	1.588	50	20	DDGD	
O=C(NCC[C@H]1CCc2ccccc21)c1ccc(B(O)O)cc1	584995820	SAYYIHMJVSBAPG-CQSZACIVSA-N	309.174	1.216	50	20	DDGD	
O=C(Cc1ccccc1O)NNc1cccc(-c2nn[nH]n2)c1	826424121	XACARPFKKMNDQL-UHFFFAOYSA-N	310.317	1.258	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(OC[C@H]2CCCO2)cc1	823988055	OYKWNYDPNDTLNV-IUODEOHRSA-N	308.378	1.202	50	20	DDGD	
CC(C)(C)c1cccc(OCCNCc2ccc(B(O)O)o2)c1	585029735	SQQKUUFGHYHHAQ-UHFFFAOYSA-N	317.194	1.426	50	20	DDGD	
COC(=O)c1cc(OC(=O)c2ccncc2)ccc1[N+](=O)[O-]	732653528	YJIVSLXNQYSWNB-UHFFFAOYSA-N	302.242	1.996	50	20	DDGD	
O=C(NNc1ccc(F)cc1)N[C@H]1C[C@H]2CCCCN2C1=O	838746303	XMEDROMEUJCKET-OLZOCXBDSA-N	306.341	1.605	50	20	DDGD	
CCn1cc(C=NNC(=O)COc2ccccc2C#N)c(C)n1	901144508	RYPHYJRSTOBVIC-UHFFFAOYSA-N	311.345	1.612	50	20	DDGD	
CCN1C[C@@H](NC(=O)NNc2ccc(C)cc2Cl)CC1=O	838672359	DBBYEMYGTLZFIP-JTQLQIEISA-N	310.785	1.895	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccc(C(=O)O)c(F)c2)n1	830651683	ZGQNOHDFZDHIKD-UHFFFAOYSA-N	319.296	1.137	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCCO1)c1cccc(N2CCC2=O)c1	834985236	GZBRMLBASQRJEJ-HNNXBMFYSA-N	315.373	1.833	50	20	DDGD	
Cc1ccc(CN(C(=O)c2cc(B(O)O)ccc2F)C2CC2)o1	584930807	RRFAJITZZULNHF-UHFFFAOYSA-N	317.125	1.212	50	20	DDGD	
COc1cccc(CCNC(=O)NNc2cccnn2)c1OC	736377830	ISRBZPNWDJYGDH-UHFFFAOYSA-N	317.349	1.363	50	20	DDGD	
CC[C@@H](C)Oc1cc(CN2CC[C@@H](B(O)O)C2)ccc1OC	585076237	KOQWGTMFEKODGH-TZMCWYRMSA-N	307.199	1.921	50	20	DDGD	
C#CC[C@@H](NC(=O)[C@H](Br)C(C)(C)C)C(=O)OC	837945069	IAVUAKAUMGJUCH-BDAKNGLRSA-N	304.184	1.477	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@H]2CCCC(=O)N2)c(F)c1	837207459	WDPBFBXNNSFRHD-SNVBAGLBSA-N	323.324	1.114	50	20	DDGD	
C[C@]1(C(=O)NCCS(=O)(=O)CC2CC2)C[C@H]1Br	907046098	VXMXSXNQSFDGFH-KOLCDFICSA-N	324.240	1.101	50	20	DDGD	
O=C(NCc1ccc2c(c1)OCCO2)NNc1ccc(F)cn1	731358452	URZDCIPDRZNYTE-UHFFFAOYSA-N	318.308	1.818	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CCC2)cc(C)c1OCC(=O)O	832864992	ZGFIWKUFEZYHQP-UHFFFAOYSA-N	320.345	1.328	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCC(C)CC1)c1cn(C)nn1	834933865	RUNMSQYRPQORSW-GFCCVEGCSA-N	306.414	1.023	50	20	DDGD	
CC(C)COc1cccc(CNCc2cccc(B(O)O)c2)c1	585019235	GYYTYRPACCHDIR-UHFFFAOYSA-N	313.206	1.691	50	20	DDGD	
CCC(=O)N1CCCN(C(=O)[C@@]2(C)C[C@@H]2Br)CC1	906351274	PDXQTJZHEBOCHS-GWCFXTLKSA-N	317.227	1.631	50	20	DDGD	
CSc1ccc(C(=O)NNC(=O)COc2ccccc2F)o1	732749843	HRRJKGKFBBTLRV-UHFFFAOYSA-N	324.333	1.981	50	20	DDGD	
CS[C@@H]1CC[C@H](NC(=O)NNC(=O)[C@H]2CCCCO2)C1	836329848	SAWHVSSEMFOOKL-HBNTYKKESA-N	301.412	1.170	50	20	DDGD	
C[C@H](NCc1ccccc1B(O)O)[C@H](C)Oc1ccccc1F	585030149	WZXIHPXJXBQVPX-STQMWFEESA-N	317.169	1.451	50	20	DDGD	
CO[C@@H]1COCC[C@H]1CNC(=O)NNc1ccc(Cl)nc1	838657198	CUGGRRGOAPMBCU-GXSJLCMTSA-N	314.773	1.413	50	20	DDGD	
CN(C)C[C@](C)(C=NNC(=O)c1cnn(C)c1)c1ccccc1	834959816	SOUHXMMUDGQXDJ-KRWDZBQOSA-N	313.405	1.655	50	20	DDGD	
COc1cccc([C@@H](C)NC(=O)NNC(=O)c2ccc[nH]2)c1	918109571	QFFMNVTYLWVBDU-SNVBAGLBSA-N	302.334	1.729	50	20	DDGD	
CCCCNC(=O)NNC(=O)COCc1cccc(Cl)c1	837367358	OXCBYZJVNNYOGA-UHFFFAOYSA-N	313.785	1.987	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2)c1cccc2cccnc12	837378689	ZCOFENYADHRHHI-GDLCADMTSA-N	323.352	1.611	50	20	DDGD	
CC(C)(C)N1C[C@@H](C(=O)NNc2ccccc2C(=O)O)CC1=O	833431688	UUXUKBBUAAUNCY-JTQLQIEISA-N	319.361	1.475	50	20	DDGD	
N#CC[C@@H](CC(=O)NNC(=O)[C@H]1CCCCO1)c1ccccc1	833236326	QQYPVBTYROWUBW-LSDHHAIUSA-N	315.373	1.790	50	20	DDGD	
O=C(c1ccsc1)N1CCCN(S(=O)(=O)CCl)CC1	830134250	JLZJJBGOHSLXHJ-UHFFFAOYSA-N	322.839	1.422	50	20	DDGD	
O=C(NN=C1COc2cc(O)ccc21)c1cccc([N+](=O)[O-])c1	915933015	IHBOIOQMVZANNX-UHFFFAOYSA-N	313.269	1.827	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1ccc(OC)cc1F	748253617	OZOJOUWENJUKRG-NSHDSACASA-N	312.341	1.726	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccc2c(c1)CCC(=O)N2	918363713	BBXIYWXJNDRHCC-UHFFFAOYSA-N	315.251	1.285	50	20	DDGD	
COc1cc(C(=O)NN(C)C[C@H](C)O)ccc1C(F)(F)F	910141601	VFXVJSBRWMFPAH-QMMMGPOBSA-N	306.284	1.671	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1ccc2c(c1)CCC(=O)N2	745590860	JCJWLSYOCVUZMJ-UHFFFAOYSA-N	316.361	1.337	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1[C@H]2CCCO[C@@H]2C1(C)C	743430939	NIXUYYXPISHECI-NFAWXSAZSA-N	323.437	1.262	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1cc(C(=O)O)c(C)nc1C	842561629	LNRGXCWTDCCEIZ-NEPJUHHUSA-N	319.361	1.662	50	20	DDGD	
CC(C)C(=O)NNC(=O)CSc1nnc(-c2ccccc2)o1	915776941	BAZRIPPMTCOPBN-UHFFFAOYSA-N	320.374	1.632	50	20	DDGD	
C[C@H](CBr)COC(=O)c1cnc(N(C)C)cn1	848778820	GFXOGVBYKIPHQE-MRVPVSSYSA-N	302.172	1.730	50	20	DDGD	
CSC1(CNC(=O)NNC(=O)C2CCCC2)CCOCC1	745868824	UCOUSHNLZCCMTC-UHFFFAOYSA-N	315.439	1.419	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1cc2ccccc2o1	843648251	PNXRDTQQMPODHP-MFKMUULPSA-N	302.330	1.548	50	20	DDGD	
C[C@@H](CN1CCCCCC1)C(=O)NN=Cc1ccc(C(=O)O)[nH]1	749809938	MOOXODXKNOFEEW-LBPRGKRZSA-N	320.393	1.675	50	20	DDGD	
CCN1C[C@H](CNC(=O)NNc2cccc(C#N)c2)CC1=O	845495224	URXWUZBBWUWIOO-LBPRGKRZSA-N	301.350	1.053	50	20	DDGD	
O=C(O)CCOc1cccc(C=NNC(=O)c2ccccn2)c1	746676366	CXAYVXZECIYXNU-UHFFFAOYSA-N	313.313	1.699	50	20	DDGD	
N#CSCCCNS(=O)(=O)c1c[nH]nc1C(F)(F)F	916991743	CRTCUSANLGQCOX-UHFFFAOYSA-N	314.314	1.311	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCCc2c(O)cccc21	743431139	RSRYNBURONRWHZ-UHFFFAOYSA-N	301.346	1.171	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)Cc2cccnc2)C[C@@H](C)S1	743588496	APCAAZFWUAUWQA-GHMZBOCLSA-N	308.407	1.191	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C1CC1	910144802	NFPARABPNWZDHZ-QWRGUYRKSA-N	315.414	1.118	50	20	DDGD	
CCn1ncc(C=NNC(=O)c2cc(OC)cc(OC)c2)n1	841610728	ROSSLMFDXQFKNS-UHFFFAOYSA-N	303.322	1.079	50	20	DDGD	
N#CC1=CCN(C(=O)CC2(Cn3cnnn3)CCCCC2)CC1	845904166	MMGCCEVRPQESJJ-UHFFFAOYSA-N	314.393	1.696	50	20	DDGD	
Cc1cnc(CCNC(=O)NNC(=O)c2ccc(C)o2)c(C)c1	847414597	PEURFPPFIZVXIZ-UHFFFAOYSA-N	316.361	1.787	50	20	DDGD	
C[C@H](Sc1ccccn1)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843980579	UXLZEZGQTDASDR-OUAUKWLOSA-N	309.391	1.135	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H](C)Cc1cnc[nH]1	848032897	MMIWZCKHWJATMO-NSHDSACASA-N	301.350	1.750	50	20	DDGD	
C[C@H]1COC[C@@H]1NC(=O)NNC(=O)Cn1ccc2ccccc21	926004166	MUUSMQGBOLCWSU-AAEUAGOBSA-N	316.361	1.007	50	20	DDGD	
O=C(NNC(=O)c1ccnc(F)c1)c1cccc([N+](=O)[O-])c1	745474257	DFHARELLANKXPU-UHFFFAOYSA-N	304.237	1.204	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccn(C2CCCC2)n1	843655798	WLPXYHCUWQUVNE-JQWIXIFHSA-N	306.366	1.184	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1ccc(N2CCOCC2)s1	842556879	OIOQMRDVTKEUCQ-DGCLKSJQSA-N	323.418	1.460	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)[C@H]1CCCS(=O)(=O)C1	845919293	XXGCOLJFIXMABX-LBPRGKRZSA-N	319.386	1.503	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C(C)C)N(C)C(=O)OC(C)(C)C	854213596	KGNPFZUVDKFDHU-SNVBAGLBSA-N	301.387	1.435	50	20	DDGD	
CCC(=O)N1CC[C@@H](NC(=O)NNc2cc(F)ccc2C)C1	853863046	LPYNTSCLXNVUHI-GFCCVEGCSA-N	308.357	1.771	50	20	DDGD	
C[C@H]1CCCC[C@H]1OCC(=O)NNC(=O)OCC(F)(F)F	856023409	IGVIVOLTPLRZRC-DTWKUNHWSA-N	312.288	1.901	50	20	DDGD	
CC1(C)OC[C@@H](CNC(=O)NNc2ccc(F)c(F)c2)O1	921895661	LIJCPHDJGXEWGA-SECBINFHSA-N	301.293	1.742	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NOCCN1CCCC1=O	856039029	QHFYPACCHLZMQZ-JLHYYAGUSA-N	317.320	1.403	50	20	DDGD	
CC1(C)CC(=NNC(=O)c2cc[nH]n2)c2cc(O)ccc2O1	853391457	MXHOSPDOTICFRE-UHFFFAOYSA-N	300.318	1.811	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1ccn(CC(F)F)n1	756867517	LDPYZNVHOPINLL-UHFFFAOYSA-N	310.264	1.010	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)c1cccs1	758840085	SOYBEDBSGFNHQH-SECBINFHSA-N	318.358	1.033	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCc1nc2ccccc2o1	920862495	LNOPUQYJGHFDLO-UHFFFAOYSA-N	320.349	1.127	50	20	DDGD	
CO[C@](C)(CNC(=O)NNC(=O)c1cc(C)cs1)C1CC1	858478542	UFNPIQVCUWTHEH-CQSZACIVSA-N	311.407	1.816	50	20	DDGD	
CC(C)C1(C(=O)NNC(=O)c2cc3c(s2)CCC3)COC1	929277142	DJRSKGLLTAYBQG-UHFFFAOYSA-N	308.403	1.670	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=Cc1cnc2n1CCC2	853275806	XPQPMPOWRZQMSL-NSHDSACASA-N	316.336	1.886	50	20	DDGD	
CCC1(C)CCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)CC1	751530260	ZSVXPVHPHGFIBO-VUUHIHSGSA-N	303.428	1.387	50	20	DDGD	
CCNc1nc(C(=O)NNC(=O)OCC(F)(F)F)cs1	856026189	PYXPWFWMXJFUHR-UHFFFAOYSA-N	312.273	1.508	50	20	DDGD	
C[C@@H]1C(=NNC(=O)c2cn(C)nn2)CC[C@H](C(=O)O)C1(C)C	853383384	VMTNMYHDIRGLQG-RKDXNWHRSA-N	307.354	1.058	50	20	DDGD	
O=C(NNC(=O)c1cccnc1Br)c1ccccn1	758148650	LOPAZQQIOAKESM-UHFFFAOYSA-N	321.134	1.314	50	20	DDGD	
O=C(NNC(=O)c1csc([N+](=O)[O-])c1)OCC(F)(F)F	856024082	HDEMKQZGGRTQSQ-UHFFFAOYSA-N	313.213	1.590	50	20	DDGD	
Cc1n[nH]c(C)c1S(=O)(=O)NC[C@@]1(C)C[C@H]1Br	856756418	OZHVBIWPYJGCKK-PSASIEDQSA-N	322.228	1.478	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cc(O)nc2c1CCCC2	930132956	BYHTXNNCCHSTII-UHFFFAOYSA-N	303.362	1.617	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)c1ccncc1	750945881	RDMMMAWYIUWFHG-UHFFFAOYSA-N	302.359	1.413	50	20	DDGD	
C[C@]1(CNC(=O)CN2CCCCC2=O)C[C@@H]1Br	857399228	QTMUSGCOSWELAE-JOYOIKCWSA-N	303.200	1.289	50	20	DDGD	
O=C(NNC(=O)C1CN(C2CCCCC2)C1)c1cccc(F)n1	856427789	FNQQKQNHPDZJBK-UHFFFAOYSA-N	320.368	1.246	50	20	DDGD	
C[C@@H](CBr)CN1CCO[C@H](c2ccnn2C)C1	933538902	MYRYAQOXHCKQMN-JQWIXIFHSA-N	302.216	1.824	50	20	DDGD	
COC(=O)C1CCC(=NNC(=O)c2ccc3c(c2)OCO3)CC1	754895219	KMICHKJIYMBRGS-UHFFFAOYSA-N	318.329	1.864	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)Nc2ccccc2C(F)F)N1	861183880	VITUULYDRPVVCJ-VIFPVBQESA-N	312.276	1.056	50	20	DDGD	
C[C@H](NNC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1)C(F)(F)F	862309499	RFHGXQOJJTUOBY-UWVGGRQHSA-N	323.359	1.843	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)N[C@@H](C)c2cccs2)n[nH]1	764498598	WVKDFYFWKXIWRM-QMMMGPOBSA-N	309.420	1.650	50	20	DDGD	
Cc1ccc(C=NNC(=O)c2cc([N+](=O)[O-])ccc2O)cn1	764908372	BDQISXUKGZKOFJ-UHFFFAOYSA-N	300.274	1.768	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@H](OC)C(C)C	769729375	UJWTVSBKBTZQRW-OAHLLOKOSA-N	324.377	1.283	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)/C(F)=C\C2CCCCC2)n[nH]1	869015206	GJTSVTYNZUYRRE-MDWZMJQESA-N	308.357	1.842	50	20	DDGD	
O=C(NNc1cnccn1)Nc1ccc2c(c1)OC(F)(F)O2	769941563	DAUNXLVKQHBYJW-UHFFFAOYSA-N	309.232	1.947	50	20	DDGD	
COC(=O)[C@@]1(F)CCN(C(=O)[C@@H](Br)C(C)(C)C)C1	768219061	VAUYVCRRQWAPGS-PRHODGIISA-N	324.190	1.910	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CCC(=O)[C@H](C)C2)nc1	765249788	QFBAMJHSVYWNDN-NXEZZACHSA-N	305.334	1.317	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)OC[C@@H]2COC(=O)O2)cc1	763872910	UYQVUZGFOFUFFD-ASJRZHAZSA-N	303.270	1.681	50	20	DDGD	
O=C(NNC(=O)C1SCCS1)c1ccc2ccccc2n1	761136238	BESWGRVMIYOTAA-UHFFFAOYSA-N	319.411	1.802	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc([N+](=O)[O-])[nH]2)c([N+](=O)[O-])c1	769308570	XRGAKJMDNFKIIE-UHFFFAOYSA-N	321.249	1.597	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccncc1Br	763297503	GBAAJWQTOUHTGD-UHFFFAOYSA-N	301.144	1.198	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C1CC2(CCC2)Oc2ccccc21	863187949	WKYLMOWZLHXHFA-UHFFFAOYSA-N	322.386	1.257	50	20	DDGD	
O=C(CN1CC[C@@H](C(F)(F)F)C1)NNC(=O)c1ccccc1	761039092	CQXDBKIQAIHOAV-LLVKDONJSA-N	315.295	1.332	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CCc2cnn(C)c2C)c1	862478291	FLBONIQTHGJCLX-UHFFFAOYSA-N	306.391	1.492	50	20	DDGD	
COc1ccc(NCc2cccc(B(O)O)c2)c2cccnc12	864026035	UZWCEZGMPWCROB-UHFFFAOYSA-N	308.146	1.535	50	20	DDGD	
O=C(NN=CC[C@H]1CCCCC12OCCO2)C1CCOCC1	1119302953	KUWFSOWNBUWZBO-CQSZACIVSA-N	310.394	1.838	50	20	DDGD	
CC[C@H](C)[C@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1	862456555	ZGYOVMAZRVKRTE-LNSITVRQSA-N	317.389	1.242	50	20	DDGD	
C[C@]1(C(=O)NC[C@H]2CCCN(C(N)=O)C2)C[C@@H]1Br	1119569157	BFQVXEXMTXPJQI-PTRXPTGYSA-N	318.215	1.067	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)NCC2CC=CC2)C[C@H]1Br	1119185644	IEWSNCOZHKETEA-ZWNOBZJWSA-N	315.211	1.359	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)NC1CC1	764881368	PZGXDAJUQDVYFZ-SNVBAGLBSA-N	318.160	1.520	50	20	DDGD	
COCCN(C)NC(=O)Nc1cnn(-c2ccccc2)c1C	878982805	YFHZXNPUOMLNDS-UHFFFAOYSA-N	303.366	1.795	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)Nc1ccc(=O)n(C)n1	879904276	YTBKSHYSJTVWGI-UHFFFAOYSA-N	301.350	1.800	50	20	DDGD	
COC(=O)COCCNC(=O)NNc1ccc(Cl)c(F)c1	875849321	YPLVHDPOUPOYLX-UHFFFAOYSA-N	319.720	1.295	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1ccc(OC(C)C)cc1	773234943	ZBLJBJDIAPYSRA-UHFFFAOYSA-N	315.395	1.376	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@@H]1C(=O)O)c1cccc(Cl)c1	872831945	RWTUZNUVDOOPAN-MNOVXSKESA-N	310.737	1.602	50	20	DDGD	
C[C@@H](Oc1cccc(C=NNC(=O)C2CCOCC2)c1)C(=O)O	1119361129	GYPKZJYRDUGSPZ-LLVKDONJSA-N	320.345	1.415	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(C)c(F)c(C)c1	772233045	YAEDTSOZLCXMHH-JTQLQIEISA-N	310.325	1.545	50	20	DDGD	
COc1cc(C)nc(NNC(=O)COc2ccccc2O)n1	772707095	OGBUIYYJJFKMMR-UHFFFAOYSA-N	304.306	1.021	50	20	DDGD	
CCOC(=O)[C@H](NC[C@@H](C)CBr)C1CCOCC1	770669369	VANQIZAUEPSHRW-CMPLNLGQSA-N	322.243	1.965	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)Nc1nc2c(s1)CCCC2	877964645	RRAONAVKJZJGIH-UHFFFAOYSA-N	324.406	1.601	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cnc(O)c([N+](=O)[O-])c1	776323756	RMAGJTRZGKRIBP-UHFFFAOYSA-N	316.273	1.079	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)OC[C@@H](C)CBr)C1	770405240	ZEXDBPBKSGILPT-UWVGGRQHSA-N	306.200	1.819	50	20	DDGD	
CC(C)COc1cccc(OCC(=O)NNC(=O)C2CC2)c1	772788703	FIJCCXFVTBQDBV-UHFFFAOYSA-N	306.362	1.658	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCOc1cccc(C)c1	771870307	JBYOXGSMNSCIRV-GFCCVEGCSA-N	322.361	1.253	50	20	DDGD	
O=C(NNc1ccc(Br)nc1)[C@]1(F)CCOC1	1117419671	RXZCLNCNQXORNB-JTQLQIEISA-N	304.119	1.416	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)Cc1cccc(F)c1	772046160	DTWCAFDTILWNLA-WDEREUQCSA-N	324.352	1.493	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C1(COC)CC1	778524829	QNDKVVZFJYAVJZ-UHFFFAOYSA-N	322.361	1.038	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C1(c2cccc(OC)c2)CC1	887149128	KKEXFPSCMAIZNF-UHFFFAOYSA-N	300.358	1.678	50	20	DDGD	
CC(=O)Nc1cccc(NC(=O)C(=O)NNc2ccccc2)c1	775530422	SHBCGYBIRMVDFX-UHFFFAOYSA-N	312.329	1.727	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@@H](C)c1ccccc1	771844376	BKAVFHSIPRERKU-VXGBXAGGSA-N	306.362	1.669	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCc2nccn2C)cc(C#N)n1C	1124080958	YMRMMQOLJPXUNC-RIYZIHGNSA-N	322.372	1.205	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(C)(C)C2CCOCC2)cc1O	882051267	PERAWIYGTACKTC-UHFFFAOYSA-N	320.389	1.914	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2ncc(F)cn2)c1F	784956305	KLYPQIYFBVISSU-UHFFFAOYSA-N	307.260	1.145	50	20	DDGD	
Cn1cc(-c2nc(C(=O)NNc3ccnc(F)c3)cs2)cn1	781362157	QALZSCHJDCMTPK-UHFFFAOYSA-N	318.337	1.835	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCc2cc(C3CC3)n(C)n2)cn1	885902594	UHUHGPIXKHQNFE-ACAGNQJTSA-N	310.361	1.254	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCCn2cccn2)cc1O	882048851	UQQRADFUGIFJSM-UHFFFAOYSA-N	302.334	1.139	50	20	DDGD	
CO[C@H](CNC(=O)NNc1ncncc1Cl)C(C)(C)C	781000186	XYAZVKJCQZAZRG-SECBINFHSA-N	301.778	1.817	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)ccc1C	899138843	XSOFBKJYHMXITC-LEWSCRJBSA-N	302.330	1.450	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)N[C@H]2CC[C@@H](C)C2)c1	780789242	MRODHGZVQXPWQX-PWSUYJOCSA-N	321.377	1.836	50	20	DDGD	
C#CCOc1cc(F)ccc1NC(=O)NN=c1cc[nH]cc1	782050498	MEEOWNGNJCLGJI-UHFFFAOYSA-N	300.293	1.803	50	20	DDGD	
COc1ccc([C@H](NC(C)C)C(=O)NN=c2cc[nH]cc2)cc1	897346484	UXRXLQZPXBUCTK-INIZCTEOSA-N	314.389	1.695	50	20	DDGD	
Cc1nc2ccccn2c1CNC(=O)NNC(=O)CC(C)(C)C	898971717	GTTPCAZRQGPDBN-UHFFFAOYSA-N	317.393	1.909	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CO[C@H](C)C2)cc1C	784143803	HPTZBTRNULVYFU-CHWSQXEVSA-N	306.362	1.255	50	20	DDGD	
COc1cccc(NNC(=O)Nc2nc(SC)ns2)n1	780588086	DKIZYIHMURNOHT-UHFFFAOYSA-N	312.380	1.812	50	20	DDGD	
C[C@@H]1CCCN1CCNC(=O)NNc1ncnc2ccsc12	897488037	UIHPLEZWIDRROF-SNVBAGLBSA-N	320.422	1.802	50	20	DDGD	
O=C(NCCCOc1cccc(F)c1)NNC(=O)C1CCC1	899083271	ZSWRNUAIIOIURL-UHFFFAOYSA-N	309.341	1.725	50	20	DDGD	
CC[C@H](C)CC(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1	791505534	UFMRVVBXLZQNAG-NSHDSACASA-N	317.345	1.299	50	20	DDGD	
C=C(CBr)COC(=O)c1cn(CCOC)nc1C	795581229	GIRFCPJZDIGOKZ-UHFFFAOYSA-N	317.183	1.946	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)Cc1ccccc1OC	792798028	KVNYINABDULLPM-UHFFFAOYSA-N	301.346	1.589	50	20	DDGD	
CC(C)[C@@H](O)C(=O)NNC(=O)c1ccc(Br)s1	794792644	MCTMLGSATKTDEP-MRVPVSSYSA-N	321.196	1.289	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)N2CCN(C)CC2)C1(CC)CC	790181249	KCFRIJUMAZTFJS-AWEZNQCLSA-N	310.442	1.915	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1ccc(C(F)(F)F)s1	796209512	FICRSVFYVPJBEM-UHFFFAOYSA-N	318.280	1.494	50	20	DDGD	
Cc1cnc(COCC(=O)NNc2ccc(C(C)(C)C)nn2)o1	1323652665	YFRHXLDKXRDHIX-UHFFFAOYSA-N	319.365	1.730	50	20	DDGD	
C[C@@H]1CCCC[C@H]1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1326598662	ICOTXFWFZMCCLW-GHMZBOCLSA-N	304.394	1.876	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccc(Cl)cc1Br	1322726089	OQJUAMPROZAOAP-UHFFFAOYSA-N	319.542	1.726	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1	1325977589	YYORWGGFXRDCIT-VJTDZRGJSA-N	309.410	1.711	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2cncnc2C)cc1	1321707095	WGCBOZRSSVCPFE-UHFFFAOYSA-N	316.386	1.647	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2cccc(F)c2N)CC1	1327660442	ACFSHUMSFDNWQH-UHFFFAOYSA-N	306.385	1.980	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc1	1323370902	XWKVRDZTKSZSQQ-AAEUAGOBSA-N	320.393	1.122	50	20	DDGD	
N#CCOc1ccc(NC(=O)NNC(=O)CC(F)(F)F)cc1	1320405512	JMEKEWQFTKNCRM-UHFFFAOYSA-N	316.239	1.694	50	20	DDGD	
COCCOCC(=O)NN=Cc1nc(-c2ccccc2)c[nH]1	1329671306	DHVWOKHGLBKAHJ-UHFFFAOYSA-N	302.334	1.190	50	20	DDGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)c1nnnn1C	1337494653	AMEQRKIHHFNTBZ-MDXIRLPMSA-N	300.297	1.134	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21)c1cc(Cl)ccc1O	1334127983	YVLFJTGVMLVBRO-CQFDHEJISA-N	308.721	1.032	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNC(=O)c2ccccc2Cl)cn1C	1344769251	CAWZCAMVGKPVDT-UHFFFAOYSA-N	319.748	1.422	50	20	DDGD	
C[C@@H]1CNc2c(C(=O)NNc3ccc(F)cc3F)cnn2C1	1346700429	NHUKPRFNGXYQGT-MRVPVSSYSA-N	307.304	1.980	50	20	DDGD	
CCOc1cc(C(=O)NNc2cccc(C(=O)O)c2F)on1	1605658971	FGCBAMPKPRDIHD-UHFFFAOYSA-N	309.253	1.668	50	20	DDGD	
O=C(/C=C\c1cc(C(=O)O)co1)NN=c1cc[nH]c2cccnc12	1601235239	PGGWQZHCISQDMY-ARJAWSKDSA-N	324.296	1.499	50	20	DDGD	
C[C@@H]1CCn2cc(C(=O)NNc3ncccc3C(=O)O)nc2C1	1603438621	DRDGLKHSMZHXQT-SECBINFHSA-N	315.333	1.316	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)C2CCN(C3CC3)CC2)nc1	1602384231	DIIUWHZFEJFLKI-UHFFFAOYSA-N	304.350	1.097	50	20	DDGD	
Cc1csc(CCC(=O)NNc2ccc(C(=O)O)cn2)n1	1600658291	ZHRHZKSVZOIYJK-UHFFFAOYSA-N	306.347	1.621	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@H]2CCC(=O)c3cccn32)c1	1610848364	GCLIBVMHOAXUSN-CYBMUJFWSA-N	313.313	1.847	50	20	DDGD	
Cc1nc(-c2cccnc2)nc(NNC(=O)CCC(=O)O)c1C	1611113285	OOFYQZAGJJORHL-UHFFFAOYSA-N	315.333	1.463	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@H]1C=NNC(=O)c1cnsn1	1552919406	IQGBFXGCBFFIPB-ONGXEEELSA-N	320.378	1.248	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@@H]1C=NNC(=O)c1cnccn1	1552447269	QSQXFMVQNKUGAB-RISCZKNCSA-N	314.349	1.094	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1C[C@H](N)C1(C)C	1576287682	RSHIMJSVPYCKMO-BIMULSAOSA-N	323.368	1.114	50	20	DDGD	
CNC[C@H](C)C(=O)NNc1cc(Br)ccc1F	1578622966	BJNPJVGTBNHLEY-ZETCQYMHSA-N	304.163	1.887	50	20	DDGD	
CC(C)(N)CNC(=O)[C@]1(c2ccccc2)C[C@@H]1Br	1575354536	XSRFNIBIRHARAW-FZMZJTMJSA-N	311.223	1.945	50	20	DDGD	
NC[C@H](NC(=O)NNc1cc(F)cc(F)c1F)C(F)(F)F	1580222355	RWICJVQUERTEPW-ZETCQYMHSA-N	316.205	1.620	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@@H]1F	1847868356	ARYPIZAOAYASKJ-PPCPHDFISA-N	316.804	1.954	50	20	DDGD	
Nc1ccoc1C(=O)NNC(=O)c1cc(Br)c[nH]1	1580464036	DMUREOLNGHTHPW-UHFFFAOYSA-N	313.111	1.027	50	20	DDGD	
C[C@H](NC(=O)[C@]1(c2ccccc2)C[C@@H]1Br)C(=O)O	1594234608	SQHYRBYTDOYUPF-FWDPORAESA-N	312.163	1.681	50	20	DDGD	
N#CC1(C(=O)N2CCCC23CN(C(=O)[C@H](F)Cl)C3)CCC1	1846974562	NWKZVTNBTPJAAI-JTQLQIEISA-N	313.760	1.418	50	20	DDGD	
Cc1cc[nH]c1C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1842228469	QHTIVTRGDLMVSD-NSHDSACASA-N	313.760	1.675	50	20	DDGD	
Cc1c(C(=O)NN[C@H](C)C(F)(F)F)cccc1-c1nn[nH]n1	1591810050	OXYDNGDCQRSXIO-SSDOTTSWSA-N	314.271	1.360	50	20	DDGD	
COc1cc(NC(=O)NNc2ccc(CC(=O)O)cc2)[nH]n1	1599439528	FAUQJCMDJCVBMG-UHFFFAOYSA-N	305.294	1.194	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2cccc(C(=O)O)c2)c1[N+](=O)[O-]	1599967205	HBKVVOWUMGBETP-UHFFFAOYSA-N	305.250	1.081	50	20	DDGD	
C[C@@H]1SCC[C@@H]1NC(=O)NNc1ccc(CC(=O)O)cc1	1594664499	QZYCYPFKQISQGN-CABZTGNLSA-N	309.391	1.834	50	20	DDGD	
ClCCn1cc(/C=C\c2cc(-c3nn[nH]n3)ccn2)cn1	1592523601	VJSOYHHCWBYSIR-UPHRSURJSA-N	301.741	1.867	50	20	DDGD	
Cc1cc(O)ccc1CC(=O)NNc1ccc(-c2nn[nH]n2)cc1	1592055758	DPPLPBXASAKRPM-UHFFFAOYSA-N	324.344	1.567	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1cc(-c2ccco2)on1	1594781047	DSMDVCBECLIBMM-UHFFFAOYSA-N	314.257	1.785	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCc2cccnc2)cc1	17112659	BPOIJCMRNISBHB-UHFFFAOYSA-N	313.357	1.549	50	20	DDGD	
CC(C)C(=O)NN=C1C(=O)Nc2cccc(Br)c21	17649944	CUWHGDYKDOTHIB-UHFFFAOYSA-N	310.151	1.878	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc(-c2ncn(C)n2)c1	162138997	LTMADEUXMXOILT-SNVBAGLBSA-N	316.365	1.681	50	20	DDGD	
COC(=O)NNC(=O)c1csc(Cc2cccc(F)c2)n1	158669863	XDDMNKICZMDRAJ-UHFFFAOYSA-N	309.322	1.874	50	20	DDGD	
CCS(=O)(=O)CC(=O)NNc1ccc(C(F)(F)F)cc1	153675028	XMUAWTKXGYVTMB-UHFFFAOYSA-N	310.297	1.583	50	20	DDGD	
COCCC1(C(=O)NNC(=O)Cn2nc(C)cc2C)CCCC1	157647449	NQWYOHDAOSSJDW-UHFFFAOYSA-N	322.409	1.244	50	20	DDGD	
Cc1ccc(C(=O)NNc2cccc(C(F)(F)F)n2)c(=O)[nH]1	155929497	QXLAKHRLUKFGEC-UHFFFAOYSA-N	312.251	1.854	50	20	DDGD	
CCN1CCCN(S(=O)(=O)CC(C)(C)CCl)[C@H](C)C1	867395603	NRWQMSBYSDDZCB-GFCCVEGCSA-N	310.891	1.997	50	20	DDGD	
O=S(=O)(c1ccc(CCl)cc1)N1CCOCC12CC2	915331489	SAIFFCZEHMBJQL-UHFFFAOYSA-N	301.795	1.979	50	20	DDGD	
N#CC1(C(=O)NNC(=O)CNc2ccccc2)CCCCC1	104829268	TYRSDIDDQDOJIK-UHFFFAOYSA-N	300.362	1.720	50	20	DDGD	
CN(C)C(=O)c1cccc(C(=O)NNC(=O)CC(C)(C)C)c1	103196226	LCDFFKVHYBGGNK-UHFFFAOYSA-N	305.378	1.586	50	20	DDGD	
CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)CCCCCl)C1	249089076	UUVIEPXHTWAUGR-QWHCGFSZSA-N	308.875	1.751	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cccnc1OCC(C)C	110760140	SPDWUBCJJCKJBM-UHFFFAOYSA-N	317.349	1.223	50	20	DDGD	
C#CCN1CCC(C(=O)NNC(=O)c2ccc(Cl)cc2)CC1	50025288	CANSOKPNSZCYIK-UHFFFAOYSA-N	319.792	1.446	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNC(=O)c1cccc(N(C)C)c1	104208750	IXTDNRFRWPSXLZ-HNNXBMFYSA-N	318.421	1.388	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C\c2ccc(O)c([N+](=O)[O-])c2)n1	179420701	RRTFJSULNQXEIU-POHAHGRESA-N	313.273	1.580	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H]1CC(=O)N(C2CC2)C1	178139537	MOFHCIGCQSNBLT-LLVKDONJSA-N	324.812	1.232	50	20	DDGD	
C[C@H](C[S@@](C)=O)NS(=O)(=O)c1ccc(CCl)cc1	302491800	JDCQVRWSQCSMKO-VVVCHXIZSA-N	309.840	1.471	50	20	DDGD	
COCCOc1cccc(C(=O)NNc2nccnc2Cl)c1	114894338	OZQNFNUCGRRHBP-UHFFFAOYSA-N	322.752	1.912	50	20	DDGD	
CC(=O)N[C@H](C)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	112693272	MHUWEDDSLWMLAY-SSDOTTSWSA-N	323.740	1.358	50	20	DDGD	
CC(C)C(=O)NCCNC(=O)NNc1cc(F)c(F)cc1F	115786519	NIICTYIJSVCURW-UHFFFAOYSA-N	318.299	1.502	50	20	DDGD	
CNC(=O)/C(C#N)=C\c1cnc2ccc(Br)cn12	119122265	OXZLFNIAXBIGTH-YWEYNIOJSA-N	305.135	1.750	50	20	DDGD	
COc1ccc2c(c1)OC[C@H](C(=O)NNc1cc(C)ncn1)C2	172275780	ATYGYIAUSWBXGG-GFCCVEGCSA-N	314.345	1.488	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N(C)C)cc1Br	176680050	OLWRSGKKZABSQF-UHFFFAOYSA-N	300.156	1.674	50	20	DDGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C/c2cnn(C)c2)cc1	21791488	NGFLLZHPEQVGGG-RIYZIHGNSA-N	323.356	1.668	50	20	DDGD	
CCc1nnsc1C(=O)NNc1ccc(C(C)(C)C)nn1	118527334	VBDHSDQFEOIZHH-UHFFFAOYSA-N	306.395	1.945	50	20	DDGD	
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NNC(=O)c1ccccc1C	65987618	VVVOKHRDMZJESQ-NWDGAFQWSA-N	320.393	1.242	50	20	DDGD	
CCOc1ccc(CCNC(=O)NNc2cccnn2)cc1	1341218629	BZEFYUFSTFNWFR-UHFFFAOYSA-N	301.350	1.744	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@H]1CC=CCC1	67482642	OWXBFDRHGOFDSS-LBPRGKRZSA-N	303.362	1.996	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H]2C[C@@H]2C2CC2)c(C)c1	175874662	JURNYUDSFXYNHB-KGLIPLIRSA-N	301.390	1.909	50	20	DDGD	
O=C(CCNC(=O)c1ccco1)NNc1ccc(F)cc1F	66325946	BWNZSZOXIDHAGI-UHFFFAOYSA-N	309.272	1.821	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H](C)OC[C@@H]1CCCO1	67435101	IOMOBLWSRCVFFO-RYUDHWBXSA-N	322.361	1.040	50	20	DDGD	
Cc1cc(NNC(=O)c2cnn(-c3ccccn3)c2C)nc(C)n1	128996583	URCWEXZNNKJPCW-UHFFFAOYSA-N	323.360	1.739	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cc(F)cc(F)c2)o1	129610873	RDHLTTMDHINVSB-UHFFFAOYSA-N	323.255	1.266	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C1(O)CCCC1	123574381	YIFFPDHOTULJMJ-JTQLQIEISA-N	310.325	1.046	50	20	DDGD	
C[C@H](CCc1ccccc1)NC(=O)NNC(=O)[C@@H]1CCCO1	79081289	CKQBAWDADUHSCZ-OCCSQVGLSA-N	305.378	1.517	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccc([N+](=O)[O-])cc1Cl	122397506	YYQZKUGIOJPYBK-UHFFFAOYSA-N	311.660	1.934	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N[C@@H](C)C1CCC1	121299855	RUQPFQSRQPJKOG-JTQLQIEISA-N	315.377	1.775	50	20	DDGD	
C=CCNc1ncc(C(=O)NNC(=O)c2ccc(C)o2)s1	129731213	IEYYWPGALCLKLB-UHFFFAOYSA-N	306.347	1.717	50	20	DDGD	
Cc1ccc(Cl)c(O[C@@H](C)C(=O)NNC(=O)CN(C)C)c1	75653936	GRAUUKHPEDLPNQ-JTQLQIEISA-N	313.785	1.125	50	20	DDGD	
COCCOc1cccc(CC(=O)NNc2ncc(F)cn2)c1	122768684	RSINDHOWXJMRBA-UHFFFAOYSA-N	320.324	1.327	50	20	DDGD	
CC[C@H](C)C(=O)NNc1c(OC)cccc1S(C)(=O)=O	186069186	GJRBRTHVPCFHOX-VIFPVBQESA-N	300.380	1.588	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccccc1N1CCCCCC1	183505979	XRELSUJFZZLGBR-UHFFFAOYSA-N	306.366	1.212	50	20	DDGD	
Cn1nccc1NC(=O)NNC(=O)Cc1cccc2ccccc12	125886557	XBFRETSKMSYNCD-UHFFFAOYSA-N	323.356	1.969	50	20	DDGD	
Cc1nc(CC(=O)NNc2nc(-c3ccncc3)no2)cs1	76453598	RPLZOAVMZWMACQ-UHFFFAOYSA-N	316.346	1.582	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cc[nH]n2)ccc1OC(C)C	48029439	KCTYDUPRKQUJTK-UHFFFAOYSA-N	318.333	1.280	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)[C@@H]1CCCO1)C(=O)c1cccc(F)c1	72954609	HIEDBENEDLEFRX-MFKMUULPSA-N	322.336	1.361	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2cccn2C)cc1[N+](=O)[O-]	186385719	AIHKTAQPQWFLMW-UHFFFAOYSA-N	317.305	1.708	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc(C#N)c(Cl)c1	48654641	OQCRUXYSXTYVHC-MRVPVSSYSA-N	315.782	1.567	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc3ccccc3c(=O)[nH]2)o1	84291698	DLFJTJOBNAMZRK-UHFFFAOYSA-N	311.297	1.504	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccc(OCC#N)cc2)o1	84284635	QRLVWHYYBVPKAE-UHFFFAOYSA-N	313.313	1.494	50	20	DDGD	
COCc1ccccc1NC(=O)C(=O)NNc1cc(C)ccn1	190044900	QUZVBQOOWDJQFP-UHFFFAOYSA-N	314.345	1.618	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2ccc(C=O)cc2)o1	84380700	BJLVMIYUUSTMBL-UHFFFAOYSA-N	302.286	1.241	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc2nncn2c1	194831655	PMLTWSBSMYRZJQ-KPKJPENVSA-N	305.297	1.981	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCc1cccc(N(C)C)c1	194178080	SOGBJYFNXFVOLT-UHFFFAOYSA-N	322.409	1.052	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN(CC(F)(F)F)C1)c1ccc[nH]1	194074225	SWNXKGGYNXIDFD-VIFPVBQESA-N	318.299	1.050	50	20	DDGD	
COc1ccnc(NNC(=O)c2cn(C)nc2C(C)(C)C)n1	92237491	FUECHJZHHCMWRZ-UHFFFAOYSA-N	304.354	1.273	50	20	DDGD	
O=C(NCCCN1CCCCC1)NNc1ccc(Cl)nn1	192947330	VTQXRJUTXKAJIP-UHFFFAOYSA-N	312.805	1.632	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cccc(F)c1F	94120657	SNVUDUYBYOQVQX-UHFFFAOYSA-N	305.375	1.437	50	20	DDGD	
CCn1cc(NC(=O)NNC(=O)c2ccccc2F)ccc1=O	146552172	CTLGWQLJBSQBFJ-UHFFFAOYSA-N	318.308	1.474	50	20	DDGD	
CO[C@@H]1CCCN(C(=O)NNC(=O)c2cc3ccccc3o2)C1	94037996	KVCKTOJEFBNTMX-GFCCVEGCSA-N	317.345	1.898	50	20	DDGD	
CCNS(=O)(=O)[C@H]1CCN(/C(=C/C#N)c2ccc(F)cc2)C1	92842365	LADWCAPIBWFEHZ-UUINEXAVSA-N	323.393	1.704	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncnc2ccsc12)[C@H]1CCOC1	268887237	ODHYAQZYIBUEAK-BDAKNGLRSA-N	307.379	1.742	50	20	DDGD	
CCOC(=O)NCC(=O)NNc1ccc(OC(F)(F)F)cc1	268535054	FGYKXOGXXPKRRF-UHFFFAOYSA-N	321.255	1.774	50	20	DDGD	
CCC(C)(C)N[C@H](C)C(=O)NNC(=O)COc1cccc(C)c1	273171648	FGAGOAJGZPOJMA-CYBMUJFWSA-N	321.421	1.688	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NCCCC#N	278278629	YTTCDDIYPHFSKW-JTQLQIEISA-N	324.768	1.741	50	20	DDGD	
CC[C@H](C)NC(=O)c1ccc(NC(=O)NNC(=O)C2CC2)cc1	273180120	GUVZNQIAYPZKCJ-JTQLQIEISA-N	318.377	1.778	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1nnc(C(F)(F)F)s1	274456272	VOTOSRSVANCOKX-UHFFFAOYSA-N	312.277	1.255	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCC(=O)c2ccccn2)n1	274589437	HVOKYHWFNRPIOE-UHFFFAOYSA-N	315.333	1.295	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc(F)cc1)C[C@@H]1CCCO1	270723767	LILAAMJRSKUVIP-AWEZNQCLSA-N	323.368	1.088	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc(F)cc1)C[C@H]1CCCO1	270723768	LILAAMJRSKUVIP-CQSZACIVSA-N	323.368	1.088	50	20	DDGD	
O=S(=O)(CBr)NC[C@H](O)CCc1ccccc1	273063687	ICXQOWCTUWYHPF-LLVKDONJSA-N	322.224	1.252	50	20	DDGD	
COCCOc1cc(C(=O)NCCSSC)ccn1	284096202	NIJMNBNSFJOABG-UHFFFAOYSA-N	302.421	1.848	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)c2ccc(Cl)cc2O)C1	286723769	PGDZUZFVRIEQSG-UHFFFAOYSA-N	312.753	1.622	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1CCc2cc(C)ccc2O1	280850151	WMILABMYCIZISX-CYBMUJFWSA-N	305.403	1.370	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCOC2)c1cccnc1	371531021	PJJAOEZUKTWJDL-UHFFFAOYSA-N	303.343	1.291	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCCN2C)c(Cl)c1	283619350	AMEYYOURNUJKQE-LBPRGKRZSA-N	310.785	1.895	50	20	DDGD	
O=C(NCCC(=O)N1CCCCC1)NNc1ncccc1F	286657508	XEOKXKCBADXXTF-UHFFFAOYSA-N	309.345	1.249	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccnc1OCC(F)F	281272655	PTHTVSUARVSZLZ-UHFFFAOYSA-N	316.333	1.020	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2ccc(Cl)cc2)ccn1	806997333	KCSIAEYNVOBWLA-UHFFFAOYSA-N	320.736	1.825	50	20	DDGD	
CCCC(=O)N1CCCC[C@H]1C(=O)NNc1ncncc1F	293848571	BPRRYUSFHOYNMY-NSHDSACASA-N	309.345	1.240	50	20	DDGD	
C[C@H](CCc1ccco1)NC(=O)NNC(=O)[C@H]1CCCCO1	297465883	NKEPNTGTQSQGAM-DGCLKSJQSA-N	309.366	1.500	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)Cc1cccnc1)C1CCC1	296360791	NVBMHRIUPNMCLA-UHFFFAOYSA-N	304.394	1.781	50	20	DDGD	
CC[C@@H](C)[C@H](CNC(=O)NNC(=O)c1ccccc1F)OC	296680820	BIMYCEUYKUFSSO-MFKMUULPSA-N	311.357	1.831	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)[C@H]2CCCCO2)c1CC	295648342	URQMBNHZHISWFZ-CQSZACIVSA-N	322.409	1.576	50	20	DDGD	
O=C(NNc1ncccc1F)C(=O)Nc1ccc(F)c(F)c1	807301864	JNPOYUNDKSQMBI-UHFFFAOYSA-N	310.235	1.581	50	20	DDGD	
CCc1c(C(=O)NN(C)CCOC)cnn1-c1ccc(F)cc1	808075423	YLBNTFNEZBUIDQ-UHFFFAOYSA-N	320.368	1.797	50	20	DDGD	
COCC1(C(=O)NNc2ccc(Cl)nn2)CCOCC1	290495863	NBRZKVOYFLOPMX-UHFFFAOYSA-N	300.746	1.016	50	20	DDGD	
O=C(CC1OCCCO1)NNc1cc(C(F)(F)F)ccn1	295319078	KXMPFRDBKJKBEF-UHFFFAOYSA-N	305.256	1.697	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1nccn1-c1ccccc1	801754727	JSLPLKMFOOZRMP-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
CO[C@@H](C)CS(=O)(=O)NNC(=O)c1ccc2ccccc2c1	800833554	FOPOHJLDHMZJQU-NSHDSACASA-N	322.386	1.439	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCCSC2)cc1OC	809949192	DJPKEBNMHMJGSS-NSHDSACASA-N	324.402	1.608	50	20	DDGD	
CCC[C@@H](C)CC(=O)NNC(=O)CNC(=O)c1cccs1	299589334	BPCLWKXEUVMPIU-SNVBAGLBSA-N	311.407	1.452	50	20	DDGD	
O=C(CC[C@H]1CCCN1)NNc1nc(-c2ccncc2)no1	292093886	NPKIEGZZRBAILM-LLVKDONJSA-N	302.338	1.107	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)CCn1cccn1	294825078	RUEMAYQUFJGYIU-UHFFFAOYSA-N	316.361	1.062	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)NNc1nccnc1C(C)C	803225936	GFEWYPFAIBTADS-LBPRGKRZSA-N	305.382	1.444	50	20	DDGD	
C[C@@H](Cc1cncc2ccccc12)C(=O)NNC(=O)N(C)C	805171043	LJVQULNLUHSNAB-NSHDSACASA-N	300.362	1.716	50	20	DDGD	
CCOC(=O)CCCNC(=O)NNC(=O)c1ccc(C)s1	299191388	PNFICFGAYZSFPT-UHFFFAOYSA-N	313.379	1.344	50	20	DDGD	
Cc1ccccc1[C@@H](CC(=O)NCCCSC#N)NC(N)=O	819698213	CYMBXWMOPQENPA-CYBMUJFWSA-N	320.418	1.815	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@H]1CCS(=O)(=O)C1	812766191	BJBKBGITTQCQNP-LBPRGKRZSA-N	310.419	1.996	50	20	DDGD	
Cn1c(NNC(=O)CCOC[C@@H]2CCCO2)nc2ccccc21	816579164	HGIDPXHFCASUQJ-LBPRGKRZSA-N	318.377	1.602	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)c2cc(OC)no2)c(OC)c1	814840131	GWWJHVZKCCETNY-UHFFFAOYSA-N	319.317	1.854	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1cnn(Cc2ccccc2Cl)c1	816632866	CDCOARSBQNQUDI-UHFFFAOYSA-N	317.740	1.460	50	20	DDGD	
C[C@H]1CC(=NNC(=O)Cc2cc[nH]n2)c2c(O)ccc(F)c21	814954254	CBWJJVLPQIABFT-QMMMGPOBSA-N	302.309	1.825	50	20	DDGD	
CN1CCN(CC(=O)NNc2cc(Cl)nc(Cl)c2)CC1	819742516	ANXCUNGLFMUGTG-UHFFFAOYSA-N	318.208	1.079	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNc1ncncc1F)c1ccnn1C	814323889	MHPRMQZLJMEZPG-JTQLQIEISA-N	321.360	1.415	50	20	DDGD	
CC(=NNC(=O)Cc1cccnc1)c1cccc(-n2cnnc2)c1	814837829	MZYYZZQZFZHBAK-UHFFFAOYSA-N	320.356	1.745	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cccc2cc[nH]c12	814854131	CYGJIDFYUURNLD-UHFFFAOYSA-N	300.362	1.923	50	20	DDGD	
CC1=NN(c2ccc(C(=O)NNC(=O)CC3CC3)cc2)CC1	819125876	DHEWYVBXJRFVJP-UHFFFAOYSA-N	300.362	1.834	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	812451958	OHUAXPSTQICXIV-NEPJUHHUSA-N	317.389	1.776	50	20	DDGD	
CC(=NNC(=O)c1ccccn1)c1cccc(-n2cnnc2)c1	814684063	BWBVWXQXQDNVDA-UHFFFAOYSA-N	306.329	1.816	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1sc(C)cc1C	814210803	KDOVTFRDFTVPCS-UHFFFAOYSA-N	305.425	1.658	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1	814725283	XWZCLVGVVRBNND-LLVKDONJSA-N	323.418	1.843	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(Cl)cc2F)CO1	827612248	LDJMICYXIDBOAT-VXNVDRBHSA-N	315.732	1.601	50	20	DDGD	
COc1ccccc1[C@](N)(C(=O)NN(C)C1CC1)C(F)(F)F	822434249	QISLJTLOTQTXNT-ZDUSSCGKSA-N	317.311	1.537	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCC1CCC(F)(F)CC1	826720081	CFKNRCQCNJILBN-GXSJLCMTSA-N	319.352	1.567	50	20	DDGD	
COC(OC)C(=O)NNc1ccc(Br)c(C)c1	821158978	WSGPGFKPRYKCMR-UHFFFAOYSA-N	303.156	1.820	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)[C@@H]2CCCCO2)CCOc2ccccc21	820941683	AJQMFCIGNUOXQQ-YOEHRIQHSA-N	318.373	1.443	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccn(CCc2ccccc2)n1	496947137	UXRRGHCYGHTEEN-UHFFFAOYSA-N	302.334	1.517	50	20	DDGD	
Cn1cc(-c2ccc(C(=O)NNC(=O)CC(F)(F)F)o2)cn1	825503940	JWMIUSFCMKWZOT-UHFFFAOYSA-N	316.239	1.394	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)/C(=C/c1ccccc1)C(F)(F)F	823917335	HYIMLMUVFIIECS-UVIKPUKZSA-N	302.296	1.976	50	20	DDGD	
C[C@]1(C(=O)NCc2cc3n(n2)CCCO3)C[C@H]1Br	820103079	QZQSYYKVTIZLFL-SKDRFNHKSA-N	314.183	1.455	50	20	DDGD	
CCC1(CC)[C@@H](N(C)CC(=O)NNC(=O)C(C)C)C[C@H]1OC	828384276	HIKFWORPOLNIEA-QWHCGFSZSA-N	313.442	1.315	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cn1	728855580	IMZCIZKLWCHMDR-UHFFFAOYSA-N	318.336	1.548	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCCC(C)(C)F)cc1	822094100	ISVREJNEPSRJQM-UHFFFAOYSA-N	311.357	1.842	50	20	DDGD	
O=C(NNS(=O)(=O)CCCCF)c1ccc(Cl)cc1O	829748070	CVRKIZPDQNBTNT-UHFFFAOYSA-N	324.761	1.360	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)OC(C)(C)C)CN1CCCC1	496319494	DBNBIZQGZGPYSO-UHFFFAOYSA-N	314.430	1.847	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	823952657	TZISHVYPBXWFQB-SSDOTTSWSA-N	321.255	1.571	50	20	DDGD	
CC(C)Oc1ccc([C@@H](C)NCC(=O)NNC(=O)C(C)C)cc1	828639182	RWHBTLJEVNQPIA-CYBMUJFWSA-N	321.421	1.928	50	20	DDGD	
Cc1cc(NNC(=O)C2(NC(=O)OC(C)(C)C)CCC2)ncn1	496618644	RZUWNSBZZBWUBQ-UHFFFAOYSA-N	321.381	1.676	50	20	DDGD	
CN(CC(=O)NNc1cccnn1)C(=O)OCc1ccccc1	496841389	VWZIGQZHVMEEEX-UHFFFAOYSA-N	315.333	1.188	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1	824019714	MCTZTIXSHXVDNF-UHFFFAOYSA-N	322.328	1.826	50	20	DDGD	
Cc1[nH]ccc1C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	822010077	MBQGTZKKSOCCNV-UHFFFAOYSA-N	316.325	1.372	50	20	DDGD	
CCOC(=O)NNC(=O)c1cn(C)nc1-c1ccccc1OC	491877564	HXUAIIITMWTPJF-UHFFFAOYSA-N	318.333	1.487	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1ccc(C)c2ncccc12	496833677	AEOLQLMNLWWBIY-UHFFFAOYSA-N	309.347	1.435	50	20	DDGD	
O=C1C[C@@H](C(F)(F)F)[C@@H](C(=O)NNc2ccccc2)CN1	821142296	AXRBYZXFTJWYGB-VHSXEESVSA-N	301.268	1.444	50	20	DDGD	
CCCn1nccc1C(=O)NNC(=O)CCOc1ccccc1	824693023	CEVLUWZEHBXVTF-UHFFFAOYSA-N	316.361	1.523	50	20	DDGD	
CCN(CCO)NC(=O)c1cccnc1SC(F)(F)F	823852388	GGYRSZZLCZMHSY-UHFFFAOYSA-N	309.313	1.653	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C1CCC(N2CCOCC2)CC1	900221099	KBBTXZWKPVAZSL-UHFFFAOYSA-N	311.426	1.071	50	20	DDGD	
O=C(NC[C@@H]1COc2ccccc2C1)NNC(=O)C1CCC1	732240136	NJIFANSABZEIMJ-LLVKDONJSA-N	303.362	1.368	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cn3ccccc3n2)cc1	901471720	PTKHAOIBETVYSG-UHFFFAOYSA-N	324.340	1.483	50	20	DDGD	
CN(C)C(=O)[C@H]1CCN(/C(=C\C#N)c2cccc([N+](=O)[O-])c2)C1	839641491	VADSWJDFOFJPCV-NOAOUHAHSA-N	314.345	1.869	50	20	DDGD	
CC(C)(NC(=O)O)C(=O)OCCCI	833460996	IWNHXEUWZGQJEK-UHFFFAOYSA-N	315.107	1.401	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@H](C)C[C@H](C)N)c(F)c1	831224067	WBIOOJVZTRORCX-DTWKUNHWSA-N	312.345	1.364	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)OCC(F)F)cc(-c2nn[nH]n2)n1C	737213066	QIRUWYIBTAHZHR-YCRREMRBSA-N	322.275	1.229	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NNC(=O)C1CCCC1	495550747	ZXNQCYQKDDJTDW-LLVKDONJSA-N	311.382	1.333	50	20	DDGD	
CC(C)(C)[C@H](O)C(=O)NNC(=O)c1ccc2ccccc2n1	735837355	SJSQXJJOTSFCEI-CYBMUJFWSA-N	301.346	1.403	50	20	DDGD	
CC[C@](C)(C=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1)OC	834935972	YWRFYIDWOXQTRF-IXYNUQLISA-N	313.442	1.649	50	20	DDGD	
CO[C@@H](CNCc1ccc(B(O)O)o1)c1ccc(Cl)cc1	585026202	DAGUTEKCOJOJFP-ZDUSSCGKSA-N	309.558	1.090	50	20	DDGD	
CC(C)[C@]1(C)C[C@H]1NC(=O)NNC(=O)COc1ccccc1O	838763069	HMWWANXZHORQJD-CJNGLKHVSA-N	321.377	1.536	50	20	DDGD	
O=C(NN=C1CCc2ccccc2CC1)[C@H]1CCS(=O)(=O)C1	834937780	RGGWZCSEZCTCQM-AWEZNQCLSA-N	320.414	1.472	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc(C(C)=O)cc1	901966620	PYTUDYBHWWUGNI-UHFFFAOYSA-N	308.359	1.002	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCc1ncc(-c2ccccc2F)o1	910174278	FCRGJPNZRXEBNK-LLVKDONJSA-N	321.352	1.757	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)C(=O)NNC(=O)NC1CCCCC1	837310381	BCMOUIIYNYZPAK-NSHDSACASA-N	307.398	1.262	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2c[nH]cc2C)c1	917907166	VBMNPFAPRBZZQU-UHFFFAOYSA-N	301.346	1.780	50	20	DDGD	
CCS(=O)(=O)CC(C)=NNC(=O)CNc1ccccc1F	733745554	PHGLQWCVOPLRSH-UHFFFAOYSA-N	315.370	1.164	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC(CO)(CO)CC1	832545022	SCEAVMQMFSRZGZ-JTQLQIEISA-N	322.243	1.389	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CN(CC(F)F)C2CC2)cc1	839487954	XVHCUHHUUXWVSD-UHFFFAOYSA-N	322.315	1.049	50	20	DDGD	
CC(=NNC(=O)c1cccc(S(C)(=O)=O)c1)c1ccco1	915052479	ZCRRVEGDLHELGL-UHFFFAOYSA-N	306.343	1.837	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)C[C@H]1CCCC[C@@H]1C	740852036	IBKXYWQWPRBFDH-NWDGAFQWSA-N	311.426	1.655	50	20	DDGD	
Cc1ccc(NNC(=O)C2CCC3(CC2)NC(=O)NC3=O)cc1	749194184	RRJCOCAOIINETP-UHFFFAOYSA-N	316.361	1.207	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)CCN1CCN(C(C)C)CC1	912308728	RVCZTUWSMKMYHQ-UHFFFAOYSA-N	322.428	1.993	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCc1nc(-c2cccs2)no1	910176820	DKWHVBKMURTNEH-SECBINFHSA-N	310.379	1.075	50	20	DDGD	
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NNc1cccc(F)c1	748101846	JQMXZPQDIUJLGF-UHFFFAOYSA-N	306.253	1.039	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(N)cc1C(F)(F)F	841294121	DQOPAWQYZRLDOI-UHFFFAOYSA-N	320.271	1.477	50	20	DDGD	
Cn1c(NNC(=O)[C@@H]2CC23CCCC3)nc2ccccc2c1=O	747392937	MUSHBLYIMCHIAK-LBPRGKRZSA-N	312.373	1.957	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CCO[C@@H]2C)ccc1OCC#N	842559021	STFCSAGJLCOGLR-YPMHNXCESA-N	317.345	1.473	50	20	DDGD	
CCc1noc(CCCC(=O)NNC(=O)NC2CCCC2)n1	744053102	AWTCQXUFSICZES-UHFFFAOYSA-N	309.370	1.228	50	20	DDGD	
C[C@@H]1CN(C(=O)/C(C#N)=C\c2cnn(C)c2)CC2(CCCC2)O1	844109440	GPXRWXXHWOOFHE-QVYJARAXSA-N	314.389	1.887	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)[C@@H]1COCCO1	748740848	OQRSHUOQHUCQRC-NSHDSACASA-N	315.167	1.616	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H]2CCCNC2)c1	841925914	IINFWSOOQFUCGG-NSHDSACASA-N	306.366	1.099	50	20	DDGD	
COC(=O)[C@]1(C)CCCN(C(=O)[C@@]2(C)C[C@@H]2Br)C1	910553444	CNIDRKDBYMCHDF-BIMULSAOSA-N	318.211	1.962	50	20	DDGD	
CC1CCN(C[C@H](C)C(=O)NNC(=S)NC(C)C)CC1	916118017	XUGSUUAYQAKHQM-LBPRGKRZSA-N	300.472	1.258	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CNc1ccccc1Cl	745838774	OINGCKIKYKRGKD-UHFFFAOYSA-N	306.753	1.552	50	20	DDGD	
O=C(COc1ccccc1Cl)NNC(=O)CC(F)(F)F	912895890	XMNODDFHAJHJTO-UHFFFAOYSA-N	310.659	1.819	50	20	DDGD	
CCCn1nc(C)c(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1C	843654860	SVWPLMCZWUFKAN-NEPJUHHUSA-N	308.382	1.096	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)[C@@]23CCC(=O)N2CCS3)c1	748785679	PWYWKOLEEWBNPL-AWEZNQCLSA-N	309.366	1.643	50	20	DDGD	
CC(C)O[C@H](C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccccc1	843654051	GRQWZIAYNSQHMX-SNPRPXQTSA-N	320.389	1.725	50	20	DDGD	
CCCCCCO[C@H](C)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843657990	FKVMUFGYXDQWIV-JHJVBQTASA-N	300.399	1.544	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(-c2ccc3c(c2)CCO3)no1	910160958	QWTSKPCPUPTSLY-SNVBAGLBSA-N	317.345	1.234	50	20	DDGD	
COc1ccc(NCC(=O)NN=C[C@H](OC)[C@@H]2CCOC2)cc1	841602191	BGYAXEJJQMDYPI-DOMZBBRYSA-N	321.377	1.261	50	20	DDGD	
CCN1C[C@@H](NC(=O)NNc2c(F)cc(F)cc2F)CC1=O	922721757	CSUDNALGBXUOIV-QMMMGPOBSA-N	316.283	1.351	50	20	DDGD	
C=CCc1cc(C=NNC(=O)c2cnccn2)cc(OC)c1O	747046585	CEJZFVFITDYLAO-UHFFFAOYSA-N	312.329	1.683	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C1CCC(F)(F)CC1	842527474	BEABTBQSZVKEKV-UHFFFAOYSA-N	310.304	1.493	50	20	DDGD	
C[C@H](Cc1cccc(F)c1)C(=O)NNC(=O)c1ccccn1	921019372	JMPLPRXRLDCSAQ-LLVKDONJSA-N	301.321	1.861	50	20	DDGD	
CC(CCc1ccc(C)cc1)=NNC(=O)[C@@H]1CCS(=O)(=O)C1	920371412	VBLFFGPNQYCPLZ-OAHLLOKOSA-N	322.430	1.854	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NN=Cc1cnc2ncccn12	755554413	ZUGGZWXRVUTBPJ-UHFFFAOYSA-N	318.340	1.903	50	20	DDGD	
ICCN1CCN(C[C@H]2CCCO2)CC1	759322856	SGZZKNOFHAEHET-LLVKDONJSA-N	324.206	1.218	50	20	DDGD	
C[C@H](N)CCNC(=O)NNC(=O)c1ccc(Cl)cc1F	857113299	ZPTQVOLFGSQAAJ-ZETCQYMHSA-N	302.737	1.160	50	20	DDGD	
O=C(Cc1ccc2c(c1)COC2)NNc1ncnc2[nH]cnc12	758211721	XYJJVOQQQBWBCE-UHFFFAOYSA-N	310.317	1.069	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccc2c(c1)CCC(C)(C)O2	920372857	FLNWVOATGKQIRQ-UHFFFAOYSA-N	317.389	1.765	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@]1(C)CC(c2ccccc2)=NO1	856764631	IOGPQAZCIPTKMW-MRXNPFEDSA-N	303.362	1.763	50	20	DDGD	
Cn1c(C(=O)NN=c2sc3ccccc3n2C)cccc1=O	756909412	UPXGZONJMPDUOO-UHFFFAOYSA-N	314.370	1.184	50	20	DDGD	
O=C(NC[C@H]1CSCCS1)NNc1ncc(Cl)cn1	856877428	RCGSAUPTBBEVTG-QMMMGPOBSA-N	319.843	1.605	50	20	DDGD	
Cn1cccc(NC(=O)NC[C@@]2(C)C[C@@H]2Br)c1=O	856840902	WRTRSWYAXYNSOL-JOYOIKCWSA-N	314.183	1.680	50	20	DDGD	
Cc1ccc(-n2[nH]nnc2=NC[C@]2(C)C[C@@H]2Br)cc1	856786697	QSQGVGRWIFRXHU-AAEUAGOBSA-N	322.210	1.978	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=Cc1ccc(F)c(Cl)c1	755748430	AKSGGQTWTWJXGX-UHFFFAOYSA-N	324.699	1.373	50	20	DDGD	
C[C@@H]1CCCc2ncc(C(=O)NNC(=O)OCC(F)(F)F)n21	856025821	AUBTYAYRJHFEAU-SSDOTTSWSA-N	320.271	1.714	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2F)C1	855621203	HYMJMEKOJPLALQ-JTQLQIEISA-N	324.312	1.436	50	20	DDGD	
CCO[C@@H](CC(=O)NNC(=O)c1cccc(Cl)n1)C(C)C	857323706	WDLLYBDCLUWFIU-NSHDSACASA-N	313.785	1.947	50	20	DDGD	
CC[C@H](C)c1ccc(C(=O)NNC(=O)C(=O)NC(C)C)cc1	755061042	BGHVQKVYODYSCB-NSHDSACASA-N	305.378	1.486	50	20	DDGD	
CC1(C)C[C@@]1(C(=O)NNC(=O)c1ncccn1)c1ccccc1	854952539	LEQORQAKRHACLA-KRWDZBQOSA-N	310.357	1.606	50	20	DDGD	
CC(=O)c1cc(C(=O)NN=c2cc[nH]c3ccccc23)n(C)c1	751388240	GORKTPSALBIIOD-UHFFFAOYSA-N	308.341	1.955	50	20	DDGD	
O=C1CCCN1C[C@@H]1CCN(CCI)C1	852679915	GWCUVTYWJVIZPR-SNVBAGLBSA-N	322.190	1.366	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=S)N[C@H](C)C2CC2)cc1O	855097038	IDGJKTMMWOLDIZ-MRVPVSSYSA-N	321.402	1.502	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)ccc1C	857263825	CZYPLQDUTNYQET-GDLCADMTSA-N	316.357	1.840	50	20	DDGD	
CC(=O)c1cccc(NC(=O)NNC(=O)c2c[nH]nc2C)c1	755370292	DTJYBOQPELXPBJ-UHFFFAOYSA-N	301.306	1.387	50	20	DDGD	
O=C(CCCF)NNc1nc(Br)cn2ccnc12	857146283	QMCWITFMYDDRTL-UHFFFAOYSA-N	316.134	1.685	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)c2cccc(C#N)c2)[C@H]1C	859193359	WTLWNBOZMUQMFA-KZWBYHQPSA-N	301.346	1.379	50	20	DDGD	
CCc1noc(C)c1C(C)=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	853388982	SIANXZQQEADZFP-OCCSQVGLSA-N	320.393	1.249	50	20	DDGD	
CC(=NNC(=O)c1cc(C)[nH]n1)c1cc([N+](=O)[O-])ccc1O	758119091	SMIFMTBLCOGBPM-UHFFFAOYSA-N	303.278	1.486	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cccc(CN2CCCCC2=O)c1	756293735	JEFUIGAHPRKADD-UHFFFAOYSA-N	318.377	1.762	50	20	DDGD	
C[C@H](Cn1cccn1)NC(=O)NC[C@@]1(C)C[C@H]1Br	856824812	PAJKSQZRRYFFNR-CKYFFXLPSA-N	315.215	1.744	50	20	DDGD	
CN(CCN(C)C1CC1)C(=O)NC[C@]1(C)C[C@@H]1Br	856951751	BYWCCKJIWQKZAF-AAEUAGOBSA-N	318.259	1.896	50	20	DDGD	
Cc1nnccc1C(=O)NNC(=O)c1ccc2ccccc2n1	753278751	MXUCKUHGCAVSSF-UHFFFAOYSA-N	307.313	1.408	50	20	DDGD	
Cc1cc(C)cc(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	852394577	UWOGCGGSHXODEU-OCCSQVGLSA-N	305.378	1.559	50	20	DDGD	
CN(C)CC(=O)NN=Cc1c[nH]nc1-c1c(F)cccc1F	755689554	PMRREFFSLNTKNH-UHFFFAOYSA-N	307.304	1.367	50	20	DDGD	
Cn1cc([C@H](CO)NC(=O)/C(C#N)=C/c2ccc(F)cc2)cn1	752673987	NFMZQGQJNHFVNT-MFMIUCCHSA-N	314.320	1.316	50	20	DDGD	
CO[C@]1(CNC(=O)NNc2ccc(Cl)c(F)c2)CCOC1	764802606	AOBFZMSGHROYAS-ZDUSSCGKSA-N	317.748	1.911	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2cc(C)n(C(C)C)c2C)n[nH]1	869013119	NLRYURKFWSCALR-UHFFFAOYSA-N	317.393	1.721	50	20	DDGD	
C[C@H](C(=O)NNc1nccc(N2CCOCC2)n1)c1ccco1	762859443	BPJMVSRSIFVPRC-NSHDSACASA-N	317.349	1.153	50	20	DDGD	
COc1cccc([C@H](O)C(=O)NNC(=O)NC2CCCC2)c1	764911904	VAAKSDJJRSZCLH-ZDUSSCGKSA-N	307.350	1.002	50	20	DDGD	
CCCCC(COC)=NNC(=O)CNC(=O)c1cccnc1	763197825	AFJILAZZTYDPRU-UHFFFAOYSA-N	306.366	1.120	50	20	DDGD	
CC(C)N1CCC[C@H]1C(=O)NNC(=O)c1ccc(C#N)cc1	931161454	AWZBSQZSKHNNRW-AWEZNQCLSA-N	300.362	1.192	50	20	DDGD	
C[C@H](NNC(=O)CN1Cc2ccccc2C1=O)C(F)(F)F	862312686	RNHAQQDOXCKZEY-QMMMGPOBSA-N	301.268	1.214	50	20	DDGD	
CSCC1CCN(CC(=O)NNC(=O)C(C)(C)C)CC1	932590461	FHGBBGGRNPJPIA-UHFFFAOYSA-N	301.456	1.255	50	20	DDGD	
COc1ccc(Cl)cc1C(F)(F)C(=O)NN(C)C(N)=O	935177046	JZFLKGOSRFZNTH-UHFFFAOYSA-N	307.684	1.482	50	20	DDGD	
O=C(NN=C1CCN2CCC[C@H]12)c1cc(Br)c[nH]1	765565879	RWNWHLPMFYTIAC-LLVKDONJSA-N	311.183	1.731	50	20	DDGD	
Cc1cccc(NNC(=O)c2cccnc2N2CCOCC2)n1	862523491	GLVLATIAJIMJGC-UHFFFAOYSA-N	313.361	1.379	50	20	DDGD	
COC[C@](C)(NC(=O)NNc1ccc(C#N)cn1)C(F)(F)F	932314754	MRBSJNGNHAGZNS-NSHDSACASA-N	317.271	1.547	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](C)[C@@H]2CCC(=O)N2)c1C	862185169	VNUWJESPNZSIOS-JQWIXIFHSA-N	319.361	1.139	50	20	DDGD	
CC(C)[C@H](O)C1(CNS(=O)(=O)CC(C)(C)CCl)CC1	867058931	MIOFSKILNBPYHY-NSHDSACASA-N	311.875	1.968	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1ccc2c(c1)OCCO2	760310401	TUXUKYMOGFMFTC-UHFFFAOYSA-N	305.269	1.536	50	20	DDGD	
CCO[C@H](CC)C(=O)NNc1ccccc1S(C)(=O)=O	766664215	ZOJQBCUZKXALTA-LLVKDONJSA-N	300.380	1.348	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C2CCC[C@@H](c3cccnc3)C2)N1	863153693	ZEGIDONQTJLOGQ-BXUZGUMPSA-N	300.362	1.490	50	20	DDGD	
Cc1cc(=NNC(=O)Nc2cc([C@@H]3CCCO3)nn2C)cc[nH]1	861026294	KATLJJQKXHSXOL-ZDUSSCGKSA-N	316.365	1.546	50	20	DDGD	
O=C(NNc1ccc(Br)nc1)[C@@H]1C[C@]12CCOC2	764463408	VVTYVQKSTDGBHQ-CABZTGNLSA-N	312.167	1.714	50	20	DDGD	
CN=[S@](C)(=O)c1cccc(NCc2ccc(B(O)O)cc2)c1	864014368	OCWCIOBCNLNQJF-JOCHJYFZSA-N	318.207	1.065	50	20	DDGD	
Cn1nc2c(c1C(=O)NNC(=O)CC(F)(F)F)CCCC2	767892158	UPKKCSVDYICXTK-UHFFFAOYSA-N	304.272	1.012	50	20	DDGD	
CC(=O)c1cc(C(=O)NNc2nncc(N)c2Cl)n(C)c1	1116298676	VXAMAMSHMMQWMD-UHFFFAOYSA-N	308.729	1.010	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccccc1-n1nc(C)nc1C	878956497	QWFDUUIFQJSQGV-UHFFFAOYSA-N	318.381	1.499	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CCCCN1Cc1ccncc1	1117184349	SZHOBIKHTIUWKN-CYBMUJFWSA-N	306.366	1.166	50	20	DDGD	
CCC[C@@H](C)N1C[C@H](C(=O)NNc2ccc(F)cn2)CC1=O	874651175	KPVGXIGVVKRHLN-GHMZBOCLSA-N	308.357	1.701	50	20	DDGD	
CN(C)CC1(C(=O)NNC(=O)CCCc2ccccc2)CC1	874326384	MIUCERSPRPWKKJ-UHFFFAOYSA-N	303.406	1.499	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)C(=O)NCC2CC2)c1	873757397	YEKCAWWPPFJTBW-UHFFFAOYSA-N	320.418	1.147	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C2(F)CCOCC2)cc1	878037051	GCNDWDJARUWWBO-UHFFFAOYSA-N	309.341	1.073	50	20	DDGD	
O=C(NN=Cc1nncn1Cc1ccccc1)NC1CCCC1	872346178	KLOXEHBPXQEELS-UHFFFAOYSA-N	312.377	1.902	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cl)nc2)o1	772124000	NXVGFTKSWYUEJC-UHFFFAOYSA-N	307.693	1.605	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNc1ccnc(Br)c1	771540318	IWIHAQJSLVNAHY-SSDOTTSWSA-N	316.155	1.486	50	20	DDGD	
O=C(NNc1cnccn1)c1ccc(CN2CCCC2=O)cc1	775281937	YVVZZURHTHYMRX-UHFFFAOYSA-N	311.345	1.356	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1cccc(N2CCNC2=O)c1	1116519321	QEYZBXPGTFPURL-UHFFFAOYSA-N	315.308	1.507	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cc(C2CC2)n(C)n1	772822939	KFHMZKQDQYOJPQ-UHFFFAOYSA-N	300.366	1.968	50	20	DDGD	
Nc1cnnc(NNC(=O)/C=C\c2cncc(F)c2)c1Cl	1119781890	VBTICPQNOSCRAF-UPHRSURJSA-N	308.704	1.403	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cc(N2C[C@H](C)O[C@@H](C)C2)ccn1	770813711	ONMYQTCGKPBGJV-RYUDHWBXSA-N	320.393	1.112	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1c(C)noc1C(C)C	771903683	QZWZTMBHPCXYJC-SECBINFHSA-N	311.338	1.209	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)COc1cc(C)cc(C)c1	772867467	NVOLFFFUEOZMEY-UHFFFAOYSA-N	316.361	1.360	50	20	DDGD	
COC(=O)c1cncc(C(=O)NNc2cc(Cl)nc(C)n2)c1	774313052	XLRMQNFVZTWHFD-UHFFFAOYSA-N	321.724	1.377	50	20	DDGD	
COCC(=O)NN=C(C)c1ncc(Br)cc1F	777444059	WUKYUHMRPPPDSG-UHFFFAOYSA-N	304.119	1.470	50	20	DDGD	
CC(C)C(=O)N[C@@H](CO)C(=O)NNc1ccc(F)cc1Cl	885137469	YUKNSKWDINAHIP-NSHDSACASA-N	317.748	1.055	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)C1CCOCC1)c1ccccc1F	883068651	CWSZAHLZOHMFSL-MRXNPFEDSA-N	324.352	1.261	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)CN1C(=O)CCC1=O	1123640323	PATNOCLNWQYOQK-UHFFFAOYSA-N	312.329	1.135	50	20	DDGD	
C[C@H]1CCC[C@@H](C(=O)NNc2ccc(-n3ccnc3)nn2)C1	788177010	FYQGWPDXVVPLHT-NWDGAFQWSA-N	300.366	1.932	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1ccccc1SC	784916132	UGXTYJQLRXLDMK-UHFFFAOYSA-N	310.379	1.040	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1nnc(-c2ccco2)s1	782555989	SDXNNNYUGYWAGJ-UHFFFAOYSA-N	307.335	1.751	50	20	DDGD	
CC(=O)N1CCc2cc(NC(=O)NNC(=O)C3CCC3)ccc21	782551129	YELUSTRDUKYUII-UHFFFAOYSA-N	316.361	1.548	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2cc(C)on2)c1	780824587	HAQJNVJNWQJQJM-UHFFFAOYSA-N	304.306	1.596	50	20	DDGD	
CS[C@H](CNC(=O)NNC(=O)Cc1ccncc1)C(C)(C)C	784475363	FOLZLSNEFGPUQZ-GFCCVEGCSA-N	324.450	1.732	50	20	DDGD	
COc1ccc(C#N)cc1NC(=O)C(=O)NNc1ccccn1	784791531	JNWRRLJNOBAUQE-UHFFFAOYSA-N	311.301	1.044	50	20	DDGD	
Cc1c[nH]cc(C(=O)NNc2nc(O)c3ccccc3n2)c1=O	781428565	GFKTYFOFYFRVSK-UHFFFAOYSA-N	311.301	1.089	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1csc(N2CCCCC2)n1	897346470	UEPJPSQGSRCHKV-UHFFFAOYSA-N	303.391	1.707	50	20	DDGD	
Cc1nscc1C(=O)OCC(=O)NNC(=O)c1ccccc1	781274853	GCQXWEHOMNQGQL-UHFFFAOYSA-N	319.342	1.070	50	20	DDGD	
COc1ccc(C)cc1NC(=O)C(=O)NNc1ncc(F)cn1	784949023	ANOJNVVPQRAZIP-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
COc1cc(NNC(=O)NCc2nccn2C)ccc1Cl	788964365	FCMDBECJLHEIGR-UHFFFAOYSA-N	309.757	1.908	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)nc1	792450510	HYBBRTLKYXFTEU-CQSZACIVSA-N	321.340	1.787	50	20	DDGD	
CCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cccc(C)c1	794905752	ZIXGDJGCCKRGMY-LLVKDONJSA-N	311.407	1.163	50	20	DDGD	
CCc1ccnc(CNC(=O)NNc2nc(C)cc(C)n2)c1	798118581	GIUNQNKDQFQMFR-UHFFFAOYSA-N	300.366	1.877	50	20	DDGD	
CN1CCC[C@@H]1c1cc(C(=O)NNc2ccc(Cl)nn2)n[nH]1	896439135	PDEFFEONVMNXSN-SNVBAGLBSA-N	321.772	1.377	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(C=O)cc2)o1	797052943	OAFSKJBJAZSJMW-LLVKDONJSA-N	316.313	1.629	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2CCOc3cc(F)ccc32)n1	794878037	OLNHGYOXSDAJJK-UHFFFAOYSA-N	316.336	1.942	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C[C@H](C)n2nc(C)cc2C)n1	794073231	ZPXQKSUTNVVNAY-ZDUSSCGKSA-N	315.377	1.616	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)S[C@H](C)C(=O)OC(C)(C)C	794864018	JZTDVPHAPNEICZ-RKDXNWHRSA-N	304.412	1.396	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)c2cc(OC)cc(OC)c2)CC1	799297068	QLIVRBAMHXCIGV-UHFFFAOYSA-N	322.361	1.282	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ncc(C#N)cc2Cl)n1	794079702	DBZZMITYNCATGT-UHFFFAOYSA-N	315.720	1.385	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)c2cccnn2)c(C)c1	893682267	YDLOEJDQIXDXMO-UHFFFAOYSA-N	314.345	1.324	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)CNc1ccc(OC)cc1	794907106	OUZKXNMPDCTXBT-IAQYHMDHSA-N	323.393	1.316	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2occ3c2CCC3)n1	794784646	WQHREMZTTQZDSW-UHFFFAOYSA-N	302.334	1.043	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NN=C2C(=O)OC[C@H]2C)cc1	794881844	ZIGFTASJNTVZPN-GHMZBOCLSA-N	320.345	1.518	50	20	DDGD	
COC(=O)C[C@H]1CCC(=NNC(=O)c2sc(N)nc2C)[C@H]1C	794489690	ZUICOEWNFIBEQF-IONNQARKSA-N	324.406	1.729	50	20	DDGD	
COc1ccc(C(=O)NN=C2CN3CCC2CC3)cc1OC	793236099	KVZJWSNXALRCTP-UHFFFAOYSA-N	303.362	1.515	50	20	DDGD	
O=C(NN=Cc1c[nH]nc1-c1cccnc1)c1ccc(O)c(O)c1	794557787	PAMKIYPBBFQLAA-UHFFFAOYSA-N	323.312	1.647	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1ccc2n[nH]cc2c1	794919198	RFWJJDWJNKVJKE-UHFFFAOYSA-N	322.328	1.437	50	20	DDGD	
CCc1nn(C)c(Cl)c1C(=O)NNc1nc2ccccn2n1	791249911	ZZCOSSRELHQZPB-UHFFFAOYSA-N	319.756	1.436	50	20	DDGD	
C=C(CBr)COC(=O)COCc1ccnn1C	792502394	HGKXTNZPBZKJPN-UHFFFAOYSA-N	303.156	1.431	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)Cc1ccccc1)c1ccccc1Cl	1321495530	ABFSOXRIYWBCRO-AWEZNQCLSA-N	318.760	1.705	50	20	DDGD	
C[C@@H](C(=O)NNc1nncc(N)c1Cl)N1CCCCCC1	1324009194	LWIHAYMSQCPUIO-VIFPVBQESA-N	312.805	1.420	50	20	DDGD	
O=C1Nc2cccc(Cl)c2C1=NNC(=O)C1CCOCC1	1330917635	KFNJLBLOJRJRGJ-UHFFFAOYSA-N	307.737	1.539	50	20	DDGD	
COC(=O)c1ccnc(NC[C@]2(C)C[C@@H]2Br)n1	1338055768	XEVGUKCCURKYNP-KWQFWETISA-N	300.156	1.849	50	20	DDGD	
C[C@]1(CNC(=O)c2ccc(C(=O)O)nc2)C[C@H]1Br	1347939351	IWAARONNQGBEHQ-BXKDBHETSA-N	313.151	1.683	50	20	DDGD	
CN(CCCC(=O)O)C(=O)NC[C@@]1(C)C[C@H]1Br	1341412740	CDQRQNOWRCKMIY-LDYMZIIASA-N	307.188	1.666	50	20	DDGD	
C[C@H]1CC(=O)CC[C@@H]1C(=O)NNC(=S)Nc1ccccn1	1349007386	UGPBJGREECBOHD-ONGXEEELSA-N	306.391	1.405	50	20	DDGD	
N#Cc1ccc2c(c1)CCCC2=NNC(=O)C[n+]1ccccc1	1344415835	MDBXZQHODSUSEM-UHFFFAOYSA-O	305.361	1.703	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H](C(=O)O)C(C)C)c1ccccc1	1603489262	WKDTWSMPYIDHMG-OLZOCXBDSA-N	306.362	1.684	50	20	DDGD	
Cc1oc(C(=O)O)cc1C(=O)N1C[C@H]2[C@H](Br)[C@H]2C1	1600825562	YNPBGORNSWAQHO-MBTKJCJQSA-N	314.135	1.752	50	20	DDGD	
CCCn1cc(C(=O)NNc2ccc(C(=O)O)cn2)c(C)n1	1605385724	XGYWCOLUXJKQIR-UHFFFAOYSA-N	303.322	1.452	50	20	DDGD	
CCC[C@@H](CNC(=O)NNc1ccc(C(=O)O)c(F)c1)OC	1609956478	VCLBDQVHVBYOGI-JTQLQIEISA-N	313.329	1.965	50	20	DDGD	
C[C@H](CC(=O)NNc1cccc(F)c1C(=O)O)n1ccnc1	1604068092	JPYKWVJYPIYDEI-SECBINFHSA-N	306.297	1.815	50	20	DDGD	
O=C(O)Cn1cccc1C=NNC(=O)Cc1ccc(Cl)cc1	1602166260	HZJDYPUTTUKXJP-UHFFFAOYSA-N	319.748	1.919	50	20	DDGD	
Cc1nnccc1NC(=O)NNc1cccc(-c2nn[nH]n2)c1	1606125079	CAORFJJQKOTFLQ-UHFFFAOYSA-N	311.309	1.114	50	20	DDGD	
N#Cc1ccc(NNC(=O)CCc2ccc(C(=O)O)cc2)nc1	1601107630	AOTLRQVTPHSIMM-UHFFFAOYSA-N	310.313	1.727	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@H]2CCC[C@]2(CN)C1	1549131516	CGRMCKNHSNASDK-CJNGLKHVSA-N	324.856	1.940	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@@H]2C=NNC(=O)[C@H]2CCO[C@@H]2C)cn1	1552454979	TYMXETBJMIEFMY-RJZRQDKASA-N	320.393	1.508	50	20	DDGD	
C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](F)Cl)CC2	1825015883	OOTNDQQHCARPMY-LHLIQPBNSA-N	315.757	1.223	50	20	DDGD	
CO[C@@H]1CN[C@@](C)(C(=O)NNc2ccc(C#N)c(Cl)c2)C1	1578948811	OZADSXXJFXPRJM-SMDDNHRTSA-N	308.769	1.422	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1ccc(C(=O)O)[nH]1	1574733502	CZMOXUVDBONSSR-UHFFFAOYSA-N	302.290	1.488	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2cc3n(n2)CCC[C@H]3N)c1	1579158674	PMRQWRHJZZNZNA-GFCCVEGCSA-N	319.340	1.581	50	20	DDGD	
O=CNc1ccc(C(=O)NNc2ncccc2C(=O)O)cc1	1574827775	WIGBQRNOSMPBHD-UHFFFAOYSA-N	300.274	1.105	50	20	DDGD	
CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)[C@H]1CCCCO1	1588776612	XDVRHQOWSWVLIA-CYBMUJFWSA-N	314.349	1.542	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1[N+](=O)[O-])[C@@]1(F)CCNC1	1580736959	FDMSRNFMHHDKML-LLVKDONJSA-N	302.693	1.393	50	20	DDGD	
CC(=NNC(=O)Cn1nc(C)cc1C)c1cc(C(=O)O)co1	1589012522	QDKMDHCZFXINHC-UHFFFAOYSA-N	304.306	1.332	50	20	DDGD	
Nc1ncc(CCC(=O)NN=c2cc[nH]c3cccnc23)s1	1580472398	FNEBEJXWOMDZKT-UHFFFAOYSA-N	314.374	1.166	50	20	DDGD	
CCN([C@@H](C)C(=O)O)S(=O)(=O)c1ccc(CCCl)cc1	1589713450	RLEVTBORVUOCIP-JTQLQIEISA-N	319.810	1.952	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cnn(C)c2)C1	1842445074	QTNVPOFNZAMKIG-LBPRGKRZSA-N	324.812	1.255	50	20	DDGD	
COCCC1(C(=O)NNc2ccc(C(=O)O)cn2)CCCC1	1599216676	GXHVJUHCRPFJFA-UHFFFAOYSA-N	307.350	1.820	50	20	DDGD	
Cc1nocc1NC(=O)NNc1ccc(-c2nn[nH]n2)cc1	1592465885	FMNIAJGVZZMOHA-UHFFFAOYSA-N	300.282	1.312	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@](C)(C#N)CC(=O)O)ccc1F	1593880835	AYBBLMSEVAYIHI-CQSZACIVSA-N	323.280	1.060	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@H]1CC[C@H]1C(=O)O)c1ccccc1	1594736074	JHBABJIAZXQRIC-FRRDWIJNSA-N	304.346	1.438	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2cnn(CC(F)F)c2)cc1	1776100357	CUWDMYIQGSLHKV-UHFFFAOYSA-N	322.271	1.610	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@@H]2CCCCO2)c1C	161372562	UZFAQKFGVAMNEL-ZFWWWQNUSA-N	320.389	1.787	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CN(C)[C@H](C)CC#N)cc1C	161749651	UIXFLTOUYYFLJJ-LLVKDONJSA-N	322.434	1.614	50	20	DDGD	
CS(=O)(=O)c1ccccc1C(=O)NNc1ccccc1F	153162766	IDOUYTWAKRCZMF-UHFFFAOYSA-N	308.334	1.986	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)c2cccc(C#N)c2)CCCS1	153376969	ZUXLLCWQUGDYMX-HNNXBMFYSA-N	318.402	1.788	50	20	DDGD	
CO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)CCc1ccccc1	155881760	JAQQDTJEGWFEOI-ZIAGYGMSSA-N	305.378	1.517	50	20	DDGD	
O=S(=O)(CCCCCl)NCCCOC1CCOCC1	154401597	PHMREQDSEVVUQR-UHFFFAOYSA-N	313.847	1.511	50	20	DDGD	
O=C(NNc1ncccn1)Nc1cccc(Cn2cccn2)c1	154747345	WWWOZADUDCNNSB-UHFFFAOYSA-N	309.333	1.870	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c1	154791807	PNXFKYVYNZTCHE-MCIONIFRSA-N	318.377	1.017	50	20	DDGD	
CC1CCC(N2C[C@@H](C(=O)NNC(=O)C(C)(C)C)CC2=O)CC1	108989359	AVCCGWDXKYXITD-CPCZMJQVSA-N	323.437	1.607	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(C#N)cn2)c1	107535157	XSMAVUFHZLBKLL-UHFFFAOYSA-N	324.340	1.410	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)Cc2cccnc2)c1	103424706	QGNYWNKXCXHEDD-UHFFFAOYSA-N	313.357	1.549	50	20	DDGD	
O=C(CN1CCCCC1=O)NNc1nc(-c2ccccc2)no1	102790456	JLCQVFRLWSLYLL-UHFFFAOYSA-N	315.333	1.192	50	20	DDGD	
CN(CC(=O)NNC(=O)C1CC1)c1ccc(C(C)(C)C)cc1	112977561	HPCWHPGKHGECLG-UHFFFAOYSA-N	303.406	1.978	50	20	DDGD	
Cc1nscc1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	179493243	PLIQQXCNGDTXAL-SECBINFHSA-N	323.349	1.819	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NCc2ccccc2)n1	25111891	NSYFUXZBJXJBCQ-UHFFFAOYSA-N	301.350	1.031	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2ccc(C)c(C(N)=O)c2)n1	179823616	YJAQKEOHYGUVJF-UHFFFAOYSA-N	314.349	1.649	50	20	DDGD	
CC[C@H](C)CN(C)CC(=O)NNC(=O)Cc1nc(C)cs1	111253719	MTSNSHAJGUKBNO-JTQLQIEISA-N	312.439	1.119	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C1=CCCCO1	178332240	HPTJOVGNQUPDLJ-UHFFFAOYSA-N	304.346	1.470	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)Nn1cnc2ccccc21	60602822	MZFZTWIJDQQLJP-UHFFFAOYSA-N	303.713	1.760	50	20	DDGD	
C[C@H](CCN(C)C)NC(=O)NNC(=O)c1c[nH]c2ccccc12	68600845	JXPDCLSVZCVYTO-LLVKDONJSA-N	317.393	1.452	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H](C)OCC1CC1	68349863	YSSRIZIMOJFDIN-LBPRGKRZSA-N	320.389	1.590	50	20	DDGD	
Cc1csc(CCCNC(=O)NNC(=O)c2ccc(C)o2)n1	177285963	SNWWSEXJTAKAIT-UHFFFAOYSA-N	322.390	1.930	50	20	DDGD	
CCCc1[nH]nc(C(=O)NNc2cc(C)ncn2)c1[N+](=O)[O-]	172275998	AGYATDAUOCWMFA-UHFFFAOYSA-N	305.298	1.126	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc2c(c1)NC(=O)CCS2	68454712	CQORCHQATNQGFQ-UHFFFAOYSA-N	308.363	1.085	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2	1263306807	JESDMPVFWOMYGJ-CYZMBNFOSA-N	304.350	1.651	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1ccc[nH]1)N1CCC[C@@H](C)C1	127019278	MNLHVVIOSJXBCZ-NEPJUHHUSA-N	307.398	1.079	50	20	DDGD	
CC(=O)N[C@H](C)C(=O)NNc1cc(C(F)(F)F)ccc1F	128782604	ROOSCGLTTSELRR-ZCFIWIBFSA-N	307.247	1.812	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)C(=O)Nc1ccc(F)cc1	128330574	RNLBKEVFFLGQFM-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
O=C(NNc1cnccn1)c1cccc(Oc2cnccn2)c1	127670721	ASJDUNUSWALQMO-UHFFFAOYSA-N	308.301	1.816	50	20	DDGD	
O=C(NNc1ccccn1)Nc1cnn(Cc2ccccn2)c1	180511264	PEQZHAKXAHKGBC-UHFFFAOYSA-N	309.333	1.870	50	20	DDGD	
COc1cccc(OC)c1/C=C(\C#N)C(=O)Nc1ccn(C)n1	182254425	HEZWSNFZHXVLDO-PKNBQFBNSA-N	312.329	1.983	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)Cc1cc[nH]n1)c1cccc(F)c1	186128685	ASTFNRYPZUTNEW-SNVBAGLBSA-N	304.325	1.433	50	20	DDGD	
Cc1ncc(C(=O)NNc2ncnc3ccsc23)c(C)n1	180693716	ZPXBNGOOISLUHZ-UHFFFAOYSA-N	300.347	1.855	50	20	DDGD	
N#Cc1ccc(C(=O)NCC(=O)NNc2cccc(F)c2)cc1	120004305	GBIJLBGXUOVAEU-UHFFFAOYSA-N	312.304	1.570	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cc(C(C)C)on2)cc1	120367218	GPENQVKWDGFSNL-UHFFFAOYSA-N	317.345	1.946	50	20	DDGD	
O=C(NNC(=O)c1ccc(O)cc1O)c1cc2ccccc2o1	182563706	FRJKRYHMWXTTIX-UHFFFAOYSA-N	312.281	1.919	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2cc(Cl)nc(N)n2)nn1C	182633214	WXJRICMORZQBKU-UHFFFAOYSA-N	309.761	1.326	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccncc2)c(C(C)(C)C)n1	128289783	JLFQREFZRGHXGA-UHFFFAOYSA-N	301.350	1.187	50	20	DDGD	
CCOC1CC(CC(=O)NNC(=O)Cc2ccccc2OC)C1	189814128	FDXMNDOEWYBRKM-UHFFFAOYSA-N	320.389	1.590	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNC(=O)c1ccc(Cl)cc1F	127364914	DREBBLJOWHSDPT-CYBMUJFWSA-N	302.733	1.791	50	20	DDGD	
Cc1c(C#N)cccc1NC(=O)C(=O)NNC(=O)c1ccccc1	185810980	RJMKAZHYJXGKJK-UHFFFAOYSA-N	322.324	1.266	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CCc1nc(-c2ccsc2)no1	77219681	OJIMUCZUWOSDJD-UHFFFAOYSA-N	322.390	1.924	50	20	DDGD	
COc1cc(CNC(=O)NNc2nc(C)cc(C)n2)ccn1	45522329	FBTITIBJJIZTQV-UHFFFAOYSA-N	302.338	1.323	50	20	DDGD	
CN(C)Cc1cccc(CNC(=O)NNC(=O)C(C)(C)C)c1	79451482	KHLXDTNWWFNHRE-UHFFFAOYSA-N	306.410	1.625	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Cc1c(F)cccc1F	87249428	BFKPMCQCFBVAIV-UHFFFAOYSA-N	305.284	1.292	50	20	DDGD	
O=C(CCOc1ccccc1[N+](=O)[O-])NNC(=O)c1ccc[nH]1	193464539	OCBGDJFKHJNKBR-UHFFFAOYSA-N	318.289	1.153	50	20	DDGD	
CCN(CC)CCNC(=O)NNC(=O)COc1cccc(C)c1	45544874	YGDQHVPSDZFDOP-UHFFFAOYSA-N	322.409	1.046	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)[C@@H]1CCCO1	132151622	DMPNHEAAWMNZOU-KGLIPLIRSA-N	323.368	1.656	50	20	DDGD	
CCc1onc(C)c1NC(=O)NNc1nc2ccccn2n1	192374323	BEOGEIYMRBCYLM-UHFFFAOYSA-N	301.310	1.737	50	20	DDGD	
C[C@H](CBr)CN1CCC[C@@H](N2CCOCC2)C1	382532201	SNXIZJAABRYKED-CHWSQXEVSA-N	305.260	1.814	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12	247632302	SZEPIUJLFVVQSP-GVARAGBVSA-N	317.364	1.743	50	20	DDGD	
C[C@@H]1[C@@H](NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)CCC[C@H]1C	249331226	WSWFCOSQEXSOBJ-OWTLIXCDSA-N	317.455	1.192	50	20	DDGD	
COc1ccc(O)c(C=NNC(=O)Cn2nc(C)cc2C)c1	252622660	NZUXNOXBAWWALL-UHFFFAOYSA-N	302.334	1.364	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H]1CCN(c2ccccn2)C1	269963063	QPGYXHCJZPXEFG-GFCCVEGCSA-N	305.382	1.037	50	20	DDGD	
O=C(NNc1ncccn1)N[C@@H]1CCO[C@@]2(CCSC2)C1	269170457	XQKKTVJNNWHZTF-MFKMUULPSA-N	309.395	1.157	50	20	DDGD	
CC[C@@H](C)[C@H](C)NC(=O)NNC(=O)COc1ccccc1O	264622024	RUALWPNMWWUXEU-MNOVXSKESA-N	309.366	1.536	50	20	DDGD	
C=CCN1CCC(NC(=O)NNC(=O)c2ccccc2C)CC1	264331424	FCHZCOIKAHYYSX-UHFFFAOYSA-N	316.405	1.589	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1ncnc2ccsc12	269832574	SPZIMAMGEUXUOC-UHFFFAOYSA-N	323.378	1.661	50	20	DDGD	
CCc1nn(C)cc1NC(=O)NNC(=O)c1ccc(C)cc1O	273376026	GUUIMGGNLXMAFD-UHFFFAOYSA-N	317.349	1.463	50	20	DDGD	
COc1cccc(NNC(=O)NCC2([C@@H](C)CCO)CCC2)n1	272569418	PMTQKVAIPQFRKM-LBPRGKRZSA-N	322.409	1.905	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc(OCC(=O)OC)c1	273487143	MVRNPBUHZWEESC-SNVBAGLBSA-N	323.349	1.437	50	20	DDGD	
CSCCONC(=O)NNC(=O)C(C)(C)c1ccccc1	279937581	NOVFSLPDUYOOOB-UHFFFAOYSA-N	311.407	1.589	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)nn1	369793738	YXBYGCKYSFKVDJ-RTXFEEFZSA-N	305.382	1.615	50	20	DDGD	
C[C@H](CN(C)Cc1ccccc1)NC(=O)NNC(=O)C1CCC1	271772974	CYDOFWVNBXTANK-CYBMUJFWSA-N	318.421	1.637	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)CSc2ccccc2O)CCCOC1	272988049	PSZKYSXCMDZLFM-HNNXBMFYSA-N	324.402	1.448	50	20	DDGD	
CCC(=O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)NC)c1	279866985	GEBXWUHKPOQOID-UHFFFAOYSA-N	319.770	1.055	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)COc2ccc(F)cc2)CCO1	272069437	LENDMQYIGTXQGU-QWRGUYRKSA-N	310.325	1.167	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NC[C@H]2CCSC2)c1	279890937	GOZLDNAVICFMNV-GFCCVEGCSA-N	323.418	1.457	50	20	DDGD	
CCOc1cccc(S(=O)(=O)NNC(=O)CC(C)(C)C)c1	281773461	CYJDWHXZMIDADI-UHFFFAOYSA-N	314.407	1.831	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNC(=O)COc1ccccc1OC	284823398	ALVHIOYVCVBDJP-OAHLLOKOSA-N	305.334	1.161	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccccc1F)C(F)(F)F	288626455	NGHHYCGDGFVVLL-SSDOTTSWSA-N	307.247	1.649	50	20	DDGD	
COCCCn1nccc1/C=C(\C#N)C(=O)NCc1ccco1	282681635	QHGXHSULTWAEBH-JLHYYAGUSA-N	314.345	1.736	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccc2c(O)nccc2c1)C(=O)OC	285750877	QHJFDRDILQIQIL-NSHDSACASA-N	303.318	1.583	50	20	DDGD	
C=CC[C@H](CC)NC(=O)NNC(=O)COc1ccc(F)cc1	281359996	NEZPJUSFMOFRPM-LBPRGKRZSA-N	309.341	1.890	50	20	DDGD	
COC(=O)[C@H]1CC[C@H]1C(=O)NNc1ccc(OC)c(Cl)c1	286095089	OCBUIESYWSNLDF-ZJUUUORDSA-N	312.753	1.991	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)Nc1cccc(F)c1Cl	287975506	JIEPPWFKYMTYKU-UHFFFAOYSA-N	313.716	1.365	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H]1C(=O)NNc1nc(-c2ccccc2)no1	285787231	FEPDBDYGLWXSEW-GHMZBOCLSA-N	316.317	1.379	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2cnc(C)s2)cc1	801105373	DJVPYPLTWOOCLD-UHFFFAOYSA-N	318.358	1.160	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNc2cccc(F)n2)c1	807392444	BRDOFRXXRUYABZ-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
CSCC[C@H](O)C(=O)NNC(=O)c1cccc2ccccc12	294906682	JPZPGVXODZCQPT-AWEZNQCLSA-N	318.398	1.715	50	20	DDGD	
Cc1nc(C)c(CNC(=O)NNC(=O)[C@@H]2CCCCO2)s1	296539399	QEKRQSRXIJFAIW-JTQLQIEISA-N	312.395	1.159	50	20	DDGD	
CC(=O)c1cccc(NC(=O)C(=O)NNc2ncccc2F)c1	807301371	HQRWZACDEZWOII-UHFFFAOYSA-N	316.292	1.505	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)NC[C@H](C)N(C)C2CC2)c1	297603547	JHFMARARUPAGKR-NSHDSACASA-N	319.409	1.754	50	20	DDGD	
CN(NC(=O)CNc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C	297655649	MSGQKYGRFHQAJM-UHFFFAOYSA-N	324.337	1.905	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H](C)NC(C)(C)CC	807369298	RKEJMFIWVWBKPR-NSHDSACASA-N	317.430	1.090	50	20	DDGD	
CS[C@@H](C(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccc1	295360579	JFQHORWAANSHRS-QWHCGFSZSA-N	308.403	1.807	50	20	DDGD	
COc1c(F)ccc(F)c1C(=O)NNC(=O)[C@H]1CCCCO1	295303525	FGFDNVWYWGOGBU-SNVBAGLBSA-N	314.288	1.304	50	20	DDGD	
CCOCC(=O)NNc1cc([N+](=O)[O-])ccc1Br	800617406	HXXYFNQLDOJMGC-UHFFFAOYSA-N	318.127	1.837	50	20	DDGD	
C[C@H](C(=O)NNC(=O)N=c1cc[nH]cc1)n1cnc2ccccc21	802031275	FHOKFIRDKSCYOC-LLVKDONJSA-N	324.344	1.267	50	20	DDGD	
CC[S@@](=O)CC(=O)NNc1ccccc1Br	295437526	MVFRJSOVXMLDAY-MRXNPFEDSA-N	305.197	1.661	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2cccc(Cl)n2)n(C)n1	815726774	UDTUIERPTYJNKN-UHFFFAOYSA-N	322.756	1.113	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1cccc2c1OCCCO2	814955397	FJFPUUZSONRWBJ-UHFFFAOYSA-N	300.318	1.264	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=S)NC2CCC2)cc1	814192312	VADACKFHDXIEBH-UHFFFAOYSA-N	308.407	1.155	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NOC/C=C\Cl	811983237	KZDLUNPPFZJAIO-BHQIHCQQSA-N	301.705	1.383	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccc(Cl)cc1F)c1ccc[nH]1	813377800	FUEZNKFILSMMPP-LLVKDONJSA-N	311.700	1.302	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNc1ccc(S(C)(=O)=O)cc1	812537058	YDOKRMIQROPHBY-WDEREUQCSA-N	314.407	1.452	50	20	DDGD	
COc1cc(C(=O)NN=C[C@@H]2CCOC2)cc(OC)c1OC	812381203	XLMKHARKZURWKN-JTQLQIEISA-N	308.334	1.465	50	20	DDGD	
CNc1ccccc1C(=O)NNc1nc(-c2ccncc2)no1	816915063	NBJULGHTAAJNOZ-UHFFFAOYSA-N	310.317	1.930	50	20	DDGD	
CCC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)C(=O)N1CCCC1	728399705	GVHYOGCYUFEIQQ-STQMWFEESA-N	324.425	1.298	50	20	DDGD	
COc1ccc(C(=O)CCC(=O)NNc2nc[nH]n2)cc1F	816632256	AIDDWGLVEKTZMZ-UHFFFAOYSA-N	307.285	1.059	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2	825807381	DCVYUEZJMDAIHU-QSLWVIQJSA-N	309.410	1.568	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC=C(c2ccc(O)cc2)CC1	827331757	DYKSGQPPXQTHHL-UHFFFAOYSA-N	317.389	1.285	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)COc2ccccc2F)nc1	728855505	GWSWVHOZOBLQBB-UHFFFAOYSA-N	313.288	1.042	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NNC(=O)CSc1ccccc1O	490783257	OONYFIOQWGUPQT-NTMALXAHSA-N	321.358	1.076	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc2c(c1)NC(=O)CCS2	823987398	HJYQDTIZNNDSGA-VIFPVBQESA-N	309.391	1.078	50	20	DDGD	
CCc1nocc1C(=O)NNC(=O)CCOc1ccccc1	824702233	MJVCPRYJOISSLE-UHFFFAOYSA-N	303.318	1.467	50	20	DDGD	
COC(=O)N(C)NC(=O)COc1cccc(OCC(C)C)c1	496248350	VZBRGTNVHVXLTA-UHFFFAOYSA-N	310.350	1.830	50	20	DDGD	
CCC(=NNC(=O)CCNC(=O)OC(C)(C)C)c1cn[nH]c1	495805834	ZYXRCXLDNGWXLW-UHFFFAOYSA-N	309.370	1.555	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C[C@@H]2CC[C@H]3C[C@H]23)c1	822194623	HNMKBZQEPVUIBR-YDHLFZDLSA-N	302.374	1.957	50	20	DDGD	
Cc1ccc(O)c(C=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)n1	728780244	ZCMZQIUSZCHZNM-UHFFFAOYSA-N	315.289	1.350	50	20	DDGD	
Cc1cc(C)cc([C@@H](O)CNC(=O)/C(C#N)=C/c2cnn(C)c2)c1	491082358	IQJPEXGJNDXOKN-BNSMALCHSA-N	324.384	1.794	50	20	DDGD	
CCOC(=O)[C@@](C)(O)CNC(=O)/C(C#N)=C/c1ccc(F)cc1	490872508	BWBQTWDVPVQGOI-RCLKMUNOSA-N	320.320	1.163	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(-c3nn[nH]n3)s2)n1	826217601	URWGGSCUASCQDN-UHFFFAOYSA-N	317.334	1.089	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NNC(=O)Nc1ccccc1	908049538	HRXWAUYSBTYXCM-HZMBPMFUSA-N	313.361	1.929	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@@H]2CSCCS2)c1	728828495	YNHUUTVDOZGRKO-NSHDSACASA-N	307.400	1.168	50	20	DDGD	
C[C@]1(C(=O)NN=c2cc[nH]cc2Cl)C[C@@H]1Br	907406336	FOYBDENECHKMLN-WPRPVWTQSA-N	304.575	1.774	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNc1cccc(-c2nn[nH]n2)c1	826423041	WIJUEQBSELPRSD-UHFFFAOYSA-N	312.308	1.692	50	20	DDGD	
Cc1ccccc1[C@@H]1CN(CC(=O)NNC(=O)C(C)C)CCO1	827887375	JPKNYJVANOZOSD-HNNXBMFYSA-N	319.405	1.172	50	20	DDGD	
Cc1cc(O)ncc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	826256373	GHLHMDXIIBIMSJ-UHFFFAOYSA-N	311.305	1.033	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(Cl)ccc1OCCOC	496344856	LPCHSIZQEHRUMS-UHFFFAOYSA-N	316.741	1.756	50	20	DDGD	
CCN(CCO)NC(=O)CCOc1ccc(Cl)c(F)c1	823897914	MUOYPPNRDJOGBU-UHFFFAOYSA-N	304.749	1.593	50	20	DDGD	
O=C(NNC(=O)c1cnc(NC2CC2)s1)NC1CCCC1	900413296	QRSOOJRCHPGHNO-UHFFFAOYSA-N	309.395	1.604	50	20	DDGD	
Cc1cc(C(=O)NN(C)[C@@H](C)CO)c2cnn(C(C)C)c2n1	823983145	LTTYASQTQGEVPQ-NSHDSACASA-N	305.382	1.278	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1Cc2ccccc2C[C@H]1C	827286693	BBLGHQVEZZXETA-XUJVJEKNSA-N	317.389	1.599	50	20	DDGD	
COC(=O)N(C)NC(=O)Cc1cncn1Cc1ccccc1	495764447	WYNGIXMWMBVGOM-UHFFFAOYSA-N	302.334	1.203	50	20	DDGD	
C[C@]1(C(=O)NC2CCN(C3CC3)CC2)C[C@@H]1Br	905633609	MTGHZQFSMDKMHY-AAEUAGOBSA-N	301.228	1.903	50	20	DDGD	
CC(C)(C)OC(=O)N(CC(=O)NNC(=O)C(C)(C)C)C1CC1	493922486	LFEINPKHBVTWLE-UHFFFAOYSA-N	313.398	1.579	50	20	DDGD	
CC(C)(C)c1nc(CCNCc2ccc(B(O)O)o2)cs1	585031919	LZQRMLALUKBEAH-UHFFFAOYSA-N	308.212	1.046	50	20	DDGD	
CCC[C@@H](NCc1ccc(B(O)O)o1)c1ccc(F)cc1F	585030930	LLRICARSFUFBOJ-CQSZACIVSA-N	309.121	1.869	50	20	DDGD	
CC[C@H](COc1ccccc1F)NCc1cccc(B(O)O)c1	585023334	JSWCSRRHGJLNQM-OAHLLOKOSA-N	317.169	1.453	50	20	DDGD	
CCn1cc(C=NNC(=O)COc2ccccc2OC)c(C)n1	901130815	WVEWGWDSDGTXBO-UHFFFAOYSA-N	316.361	1.749	50	20	DDGD	
COc1ccc2c(c1)CN(C(=O)/C(C#N)=C\c1cnn(C)c1)CC2	491131311	KRLZOTVLABARAW-CHHVJCJISA-N	322.368	1.921	50	20	DDGD	
C[C@H](Cc1cccc(O)c1)NC(=O)NNC(=O)[C@H]1CCCCO1	837811050	GPZDSDIBNVVXQM-BXUZGUMPSA-N	321.377	1.223	50	20	DDGD	
CC(C)(C)C(=O)N1CCN(S(=O)(=O)CCl)C(C)(C)C1	831037989	FAFJRSHVKCFRCR-UHFFFAOYSA-N	310.847	1.481	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)COc2ccc(C)c(C)c2)no1	735833965	WHHSZLJLABYYAJ-UHFFFAOYSA-N	317.345	1.369	50	20	DDGD	
C[C@H](Cc1cccs1)N(C)C(=O)c1cccc(B(O)O)c1	584958542	ZVINEESBBDGOCU-LLVKDONJSA-N	303.192	1.131	50	20	DDGD	
CCCN(Cc1ccc(C)cc1)C(=O)c1ccc(B(O)O)cc1	584927152	MJKFVRMDFDMUKD-UHFFFAOYSA-N	311.190	1.727	50	20	DDGD	
Cc1ccc(OC(F)F)c(CNCc2ccccc2B(O)O)c1	585031074	PXUZHPSQQAGUNO-UHFFFAOYSA-N	321.132	1.566	50	20	DDGD	
CCC(C)(C)OCC(=O)NNC(=O)c1ccc2c(c1)OCO2	837312024	YBPCAZBTGWQWPB-UHFFFAOYSA-N	308.334	1.382	50	20	DDGD	
CCCCOc1ncccc1CNCc1ccc(B(O)O)cc1	585019073	AURZSNARWSSNDU-UHFFFAOYSA-N	314.194	1.230	50	20	DDGD	
CC(=O)c1cc(NC(=O)NNC(=O)[C@@H]2CCCCO2)ccc1F	836613861	URKQALDCEHGWAO-ZDUSSCGKSA-N	323.324	1.750	50	20	DDGD	
CC(C)c1cccc(O[C@H](C)C(=O)N2CC[C@H](B(O)O)C2)c1	585068966	JUUUGYYZVRUBIY-OCCSQVGLSA-N	305.183	1.653	50	20	DDGD	
COc1nc2sccn2c1C=NNC(=O)[C@@H]1CCCCO1	834988447	JXBIWKGSCPGWHF-JTQLQIEISA-N	308.363	1.424	50	20	DDGD	
O=C(O)NCCCC(=O)NNc1ccc(-c2ccccc2)nn1	832608529	HLVXYTXORFRKSM-UHFFFAOYSA-N	315.333	1.635	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C\C1CCCC1	830787663	HYNBGKGOAZJFBF-JLVNDZCYSA-N	310.394	1.858	50	20	DDGD	
CC(C)CN(C(=O)c1ccc(B(O)O)c(F)c1)C1CCCC1	584937303	SXNXUIVVTFAEJV-UHFFFAOYSA-N	307.174	1.546	50	20	DDGD	
CC(C)(C)OC1CC(CCNCc2ccc(B(O)O)cc2F)C1	585038023	PUFXMURABDDYFN-UHFFFAOYSA-N	323.217	1.579	50	20	DDGD	
CC[C@@H](OC1CCCCC1)C(=O)NNC(=O)[C@@H]1CCCCO1	833246595	NNQYKRDCSVMKID-KGLIPLIRSA-N	312.410	1.831	50	20	DDGD	
COCCC1(CNCc2ccc(B(O)O)cc2F)CCCCC1	585036909	SFGCEHGDUBJNSV-UHFFFAOYSA-N	323.217	1.582	50	20	DDGD	
C[C@H]1CC(=NNC(=O)COc2ccccc2C#N)C[C@@H](C)O1	834926769	DGLNIHIRWUAAIQ-TXEJJXNPSA-N	301.346	1.997	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cc2c(cn1)CCC2	831840410	NWYHGAFEELTOSL-SKDRFNHKSA-N	304.350	1.148	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNC(=O)c2cccc3ccccc23)o1	747421772	YOQTYLRMCWTQHE-UHFFFAOYSA-N	323.308	1.607	50	20	DDGD	
CCc1ccccc1NC(=S)NNC(=O)c1cc(C)[nH]n1	918680395	QCNMJZAYALNKPY-UHFFFAOYSA-N	303.391	1.912	50	20	DDGD	
COC1([C@@H](C)NC(=O)NNC(=O)c2ccccc2O)CCC1	840451775	AXJMWDLLOALMNI-SNVBAGLBSA-N	307.350	1.294	50	20	DDGD	
Cc1ccccc1NCCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843972649	HIQJLWQJYDGYGZ-OLZOCXBDSA-N	305.378	1.369	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCSCc1ccccn1	843641939	DQEYWCSYJGKWTM-YPMHNXCESA-N	323.418	1.277	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CCCN)cc1OC(C)C	841216640	NSHSTXWPNJYSBO-UHFFFAOYSA-N	308.382	1.674	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])CN1	917216240	ZQKSBLHVTDIGGX-SSDOTTSWSA-N	312.713	1.218	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1ncccc1C(F)(F)F)C(C)C	740098433	XADOHLWKHLWIME-JTQLQIEISA-N	318.299	1.704	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNC(=O)CC(F)(F)F)c1ccco1	918058735	LLJTZNPUEDAQBO-QMMMGPOBSA-N	322.287	1.165	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)CCCOC(C)C)cc1	740881701	CNTGRORVXFJYLW-UHFFFAOYSA-N	321.421	1.503	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)c2c(C)ccn2C)cc1	846377315	AUGUDDIWFFEOPW-UHFFFAOYSA-N	301.346	1.806	50	20	DDGD	
COCCN(C)NC(=O)C[C@@H](c1nccn1C)C(F)(F)F	848056267	ORLKMPKUAKPYFP-VIFPVBQESA-N	308.304	1.066	50	20	DDGD	
O=C(NNc1ccc(F)cn1)N[C@@H]1CCCN2CCCC[C@@H]12	848675042	PFDQONAQSGISJW-OLZOCXBDSA-N	307.373	1.864	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cccc([N+](=O)[O-])c2)n1	740113554	DPSSMXVZSJUOSX-UHFFFAOYSA-N	302.294	1.208	50	20	DDGD	
CCCC1CCC(NC(=O)NNC(=O)c2ncccn2)CC1	842174965	LKDGBLLHVPFCQH-UHFFFAOYSA-N	305.382	1.780	50	20	DDGD	
CO[C@](C)(C1CC1)[C@@H](C)NC(=O)NNC(=O)c1cccc(C)n1	840424361	OPMWHZDJRYPURJ-BZNIZROVSA-N	320.393	1.538	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCCC1=NNC(=O)NC1CCCCC1	741456125	FMGNLMXCGSUOLO-ZDUSSCGKSA-N	315.439	1.962	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1csc(C)n1	916296358	IHBLWJZVVTXESW-UHFFFAOYSA-N	305.359	1.989	50	20	DDGD	
CN(CCCN)S(=O)(=O)c1ccc(CCCCl)cc1	842727143	DIGZYTWXHXFKJB-UHFFFAOYSA-N	304.843	1.827	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc3cccnc23)n1C	747428560	CFQLOHLHQAONIF-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
COC[C@H](Cc1ccccc1)NC(=O)NNc1ccc(C)nn1	746781307	RSUSJYNLDGOWMA-AWEZNQCLSA-N	315.377	1.669	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cnnn1-c1ccccc1Cl	748713334	ZNKCGPYGFGTPIX-UHFFFAOYSA-N	321.768	1.728	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@H]1CS[C@H](C)C1	840417103	OJCGAMFTCUQACN-ZYHUDNBSSA-N	323.418	1.462	50	20	DDGD	
C[C@@H]1[C@H](NC(=O)NNc2ccc(F)c(F)c2)CCS1(=O)=O	923439816	FEXGJJMVEMZGRD-RDDDGLTNSA-N	319.333	1.167	50	20	DDGD	
O=C(NN=C1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1cc[nH]n1	853392474	MQEAPZRTKAELKT-LLVKDONJSA-N	317.309	1.416	50	20	DDGD	
CC(C)(C)[C@H](C(=O)O)C(=O)NNc1nc(-c2ccncc2)no1	852952389	XBYFSTAHARSBBD-VIFPVBQESA-N	319.321	1.322	50	20	DDGD	
NC(=O)c1ccc(C(=O)OC[C@@H](CBr)C2CC2)o1	859602999	KUPFWXALQOXFIX-MRVPVSSYSA-N	316.151	1.956	50	20	DDGD	
CC(C)CC1(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCCC1	858289447	HFLVVPWZNTZFIJ-GFCCVEGCSA-N	324.425	1.202	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H]2CCCC[C@H]2N)C[C@@H]1Br	857105828	SQHBCHSYCHTHKL-MWGHHZFTSA-N	304.232	1.729	50	20	DDGD	
COC(=O)c1cccc(CS(=O)(=O)N2CC=C(C#N)CC2)c1	759082026	QKXTWZWJHCGMCU-UHFFFAOYSA-N	320.370	1.459	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCCOc1ccc(C(C)=O)cc1	854929449	IGZVPAMZLKUNNV-UHFFFAOYSA-N	323.418	1.516	50	20	DDGD	
O=C(NNc1c(F)cccc1F)N[C@H]1CCc2c[nH]nc2C1	758908639	HXPGSPVYDZYRQB-VIFPVBQESA-N	307.304	1.872	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cc(COC)cs1	853315042	QSVPMOVUVZELKR-SNVBAGLBSA-N	300.380	1.396	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1coc(C2CCC2)n1)C1CC1	855099945	QZPZYRJPJIZOFY-QMMMGPOBSA-N	308.407	1.850	50	20	DDGD	
Cn1cc(C=NNC(=O)Nc2ccc(OC(F)F)cc2)nn1	755744717	JRNNVIAPDHSPPG-UHFFFAOYSA-N	310.264	1.572	50	20	DDGD	
COC[C@H](OC)C(=O)NNc1ncnc(Cl)c1C(C)C	854944010	YJYWEOIZZJQBSZ-QMMMGPOBSA-N	302.762	1.358	50	20	DDGD	
CC1CCN(C[C@H](C)NC(=O)NNc2ccc(F)cn2)CC1	852603526	MHWJRHLTBPHBPV-LBPRGKRZSA-N	309.389	1.967	50	20	DDGD	
C=CCCSCCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C	852392976	BWFKGJZMZKKJDL-QWRGUYRKSA-N	301.412	1.051	50	20	DDGD	
CN(Cc1cnn(C)c1)C(=O)NC[C@]1(C)C[C@H]1Br	856899103	AMQIXLOQIYSTGK-PWSUYJOCSA-N	315.215	1.735	50	20	DDGD	
C[C@H](c1ccccc1)[C@H](O)CNC(=O)NNC(=O)C(C)(C)C	852083858	MPAWZYQFGZSPQK-DGCLKSJQSA-N	307.394	1.528	50	20	DDGD	
COCCN(C)NC(=O)c1cc(-c2ccc(F)cc2)n(C)n1	935913118	ZMCZEERBEHIYOZ-UHFFFAOYSA-N	306.341	1.449	50	20	DDGD	
CC(=NNC(=O)C[n+]1ccccc1)c1ccc2c(c1)CCCO2	853259123	QMPLRAHOSNEBGI-UHFFFAOYSA-O	310.377	1.840	50	20	DDGD	
CO[C@@H](C=NNC(=O)Cc1nc2ccccc2n1C)C1CC1	853273068	ZFNXZWMJLIBAMA-AWEZNQCLSA-N	300.362	1.643	50	20	DDGD	
CC(C)N1CC(=NNC(=O)Cn2cnc3ccccc32)[C@H](C)C1	754253799	GMFSQNLJZGKFIK-CYBMUJFWSA-N	313.405	1.869	50	20	DDGD	
O=C(Cn1cc(C2CC2)cn1)NNc1ccccc1[N+](=O)[O-]	854145479	SGDJQZYLPJQIMB-UHFFFAOYSA-N	301.306	1.812	50	20	DDGD	
CC[C@@H]1CN(C(=O)NC[C@]2(C)C[C@@H]2Br)CC[C@@H]1N	857106050	YFNQYVZGJVFYSC-BLFANLJRSA-N	318.259	1.929	50	20	DDGD	
CCN1CCC(NC(=O)NC[C@@]2(C)C[C@H]2Br)CC1	856831511	GUFSHERWMMTCRH-DGCLKSJQSA-N	318.259	1.943	50	20	DDGD	
O=C1Nc2cccc(Cl)c2C1=NNC(=O)c1cnccn1	750932422	JPSQSECPZLUUJE-UHFFFAOYSA-N	301.693	1.216	50	20	DDGD	
CCOc1ccc(C=NNC(=O)[C@@H]2CCC(=O)N2)cc1OCC	863144717	DVKORPJZVZNZHL-LBPRGKRZSA-N	319.361	1.213	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F	869067683	FQRRSCQQHKEHKI-YTWAJWBKSA-N	322.327	1.928	50	20	DDGD	
N#C/C=C/Cn1cnc2c(cnn2-c2ccccc2[N+](=O)[O-])c1=O	763304105	LXBOALPDESTJPK-ONEGZZNKSA-N	322.284	1.570	50	20	DDGD	
OB(O)c1ccccc1CNc1cccc(N2CCCCC2)c1	864020717	UCJADBYYGHOUIO-UHFFFAOYSA-N	310.206	1.969	50	20	DDGD	
COc1ccnc(C(=O)NNC(=S)Nc2ccccn2)c1	768578868	JZYPQWVRNKKTFX-UHFFFAOYSA-N	303.347	1.117	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@]1(c2ccccc2)CCCO1	930719201	VYJBQIHDEYXDRS-MRXNPFEDSA-N	305.378	1.823	50	20	DDGD	
CC[C@@H]1CN([C@H](CC)C(=O)NNc2cccc(C)n2)CCO1	862520385	WAJIDHSTQZRUEI-ZIAGYGMSSA-N	306.410	1.723	50	20	DDGD	
Cc1ccc(-n2cc(C)cn2)c(NCc2cccc(B(O)O)c2)c1	864031148	VMEYMOXOHVAMDM-UHFFFAOYSA-N	321.189	1.781	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(C#N)c(Cl)c1)[C@@H]1CCC(=O)N1	860778584	OTRDVYSNVRLOPQ-PELKAZGASA-N	306.753	1.569	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc(SC)cc1	769775988	AQPMSKZMIVZEIV-UHFFFAOYSA-N	315.489	1.880	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccc2c(c1)COC2	764677849	VCLKIOCKLQXAKC-UHFFFAOYSA-N	301.306	1.664	50	20	DDGD	
COC1(CO)CCN(S(=O)(=O)CC(C)(C)CCl)CC1	867197559	IOFOVHQMTQAWNE-UHFFFAOYSA-N	313.847	1.055	50	20	DDGD	
COCCC(=NNC(=O)Cc1cccnc1)C1CCOCC1	764911743	MVHDUTWERYSCDS-UHFFFAOYSA-N	305.378	1.559	50	20	DDGD	
CCCCOc1ccc(NC(=O)C(=O)NNC(=O)CC)c(C)c1	763440361	AMJCXBMMMVAQNN-UHFFFAOYSA-N	321.377	1.670	50	20	DDGD	
C[C@H](NNC(=O)C[C@H](NC(N)=O)c1cccs1)C(F)(F)F	862306346	JIDZFRWWVZGLPD-BQBZGAKWSA-N	324.328	1.419	50	20	DDGD	
CCC(=O)c1ccc(C(=O)NNC(=O)Cc2ccncc2)cc1	760590936	PHGRNGCMRBSVBK-UHFFFAOYSA-N	311.341	1.678	50	20	DDGD	
COc1ccc(OC(F)F)c(NCc2ccc(B(O)O)cc2)c1	864026297	DQKPXXVTRFXTFP-UHFFFAOYSA-N	323.104	1.589	50	20	DDGD	
O=C(CN1CCCCCC1=O)NNc1nc2ccccc2[nH]1	768491594	BHXJMLQHZDNPGL-UHFFFAOYSA-N	301.350	1.409	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)Cc1cc(Cl)cc(Cl)c1	861205657	IJVHRZABGRQMLV-UHFFFAOYSA-N	305.161	1.454	50	20	DDGD	
CCCc1sc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1CC	862449052	BAZOHJGUAQOXAB-JTQLQIEISA-N	323.418	1.303	50	20	DDGD	
CC(=NNC(=O)CCO)c1cc(Br)cc(F)c1O	1116538400	MAVINXTZADJHHK-UHFFFAOYSA-N	319.130	1.516	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ncc(Cc2ccccc2)s1	761862296	SMXZQCPWNGLWQE-UHFFFAOYSA-N	320.374	1.533	50	20	DDGD	
OB(O)c1cccc(CNc2ccc(Cn3cccn3)cc2)c1	864026640	UOQBLXYPUXTAIE-UHFFFAOYSA-N	307.162	1.223	50	20	DDGD	
CCN1C(=O)C[C@H](C(=O)NNC(=O)OC)[C@H]1c1cccc(C)c1	878000611	JXJYRIJVPMACQR-GXTWGEPZSA-N	319.361	1.292	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNc1ccc(OC(F)(F)F)cc1	761598810	DFQIVUMBJZVBLY-QMMMGPOBSA-N	319.283	1.943	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)C1=CCCCO1	762349613	JBLVUKCMISJVOZ-UHFFFAOYSA-N	322.386	1.629	50	20	DDGD	
CCC[C@H](C)C(=O)NCCNC(=O)NNc1cccc(C)n1	875616366	BPCGDXSIVITPJF-NSHDSACASA-N	307.398	1.569	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)NCC2CC2)cc1O	772423330	KTTYDHUWLREMJG-FNORWQNLSA-N	305.334	1.154	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNC(=S)Nc1ccc(C)cc1C	873758617	UKQFAPFOORXGQS-NSHDSACASA-N	322.434	1.536	50	20	DDGD	
CN(C/C=C\C(=O)NNc1ccc(F)cn1)CC(F)(F)F	874648722	ZULISOBKOZEMOL-IHWYPQMZSA-N	306.263	1.714	50	20	DDGD	
CSC1CCN(CC(=O)NNC(=O)c2ccccc2)CC1	879098196	XPPFUEOKVZRPQH-UHFFFAOYSA-N	307.419	1.275	50	20	DDGD	
COCCN1CCC(NC(=O)NNc2cccc(C)n2)CC1	875154420	ZCMDEERIYRUTEE-UHFFFAOYSA-N	307.398	1.127	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H](C)CN2CCOCC2)c(F)c1	872337028	RRPBRCLGXSJNAA-CYBMUJFWSA-N	307.369	1.553	50	20	DDGD	
Cc1cnc(Cl)cc1C(=O)NNC(=S)NCC1CCC1	1119900665	PRSCWNRWXPVXFH-UHFFFAOYSA-N	312.826	1.952	50	20	DDGD	
CCCOc1cccc(CCNC(=O)NN(C)C(=O)OC)c1	875401309	WRJPMCBGWPDUNX-UHFFFAOYSA-N	309.366	1.930	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1Cl	779774329	UVFMOSMBYQCRHL-SECBINFHSA-N	317.798	1.036	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C=C2CCSCC2)nc1	772843396	DGFRVYBSYYEZLL-UHFFFAOYSA-N	307.375	1.765	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CCc2ncc[nH]2)cc1C	873763533	XRWQKPACSNXYDF-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)NCC2CC2)sc1C	773231125	HUUGPMQPWBPHAQ-UHFFFAOYSA-N	303.409	1.267	50	20	DDGD	
O=C(NNC(=O)c1cccc(O)c1O)c1ccc2ccccc2n1	776320387	NCSIDNZFAMSECH-UHFFFAOYSA-N	323.308	1.721	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@](C)(O)[C@@H](C)c1ccccc1	887144459	NSKUUGKGMDNODM-GUYCJALGSA-N	302.374	1.492	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(Cl)c(F)c1)c1nnnn1C	1123641647	MTSQXJQCRSBTNU-ZCFIWIBFSA-N	313.724	1.390	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNC(=O)c1ccc(C)c(O)c1	882048416	NYYAAPCVAQVVDZ-CYBMUJFWSA-N	305.378	1.336	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCC2)NNC(=O)C1CCOCC1	883060044	UTXHTDPZSJAFMZ-UHFFFAOYSA-N	302.374	1.292	50	20	DDGD	
CN1CCC2(CCCN(S(=O)(=O)CCCCl)C2)CC1	882153035	MVEUPYDZKJIBRV-UHFFFAOYSA-N	308.875	1.753	50	20	DDGD	
CCNc1cccnc1C(=O)NNC(=O)NC1CCCCC1	1123572709	BPKJHLKYOLGLSU-UHFFFAOYSA-N	305.382	1.790	50	20	DDGD	
COCCCNC(=O)NNC(=S)N[C@H](C)Cc1ccccc1	786066794	HFNWHSGRYZZZHC-GFCCVEGCSA-N	324.450	1.332	50	20	DDGD	
Cc1cccc2c1CCN(C(=O)NNC(=O)c1cccnn1)C2	883850250	UAMAZOPXUXGIFP-UHFFFAOYSA-N	311.345	1.198	50	20	DDGD	
CCc1csc(NC(=O)C(=O)NNc2nc(C)cc(C)n2)n1	789722078	UETDNTPDLIGZIG-UHFFFAOYSA-N	320.378	1.194	50	20	DDGD	
C[C@@H](Cc1ccccc1)NC(=S)NNC(=O)c1ccccn1	786055858	MARLZBAHCGDYQP-LBPRGKRZSA-N	314.414	1.822	50	20	DDGD	
O=[N+]([O-])c1cccnc1NNS(=O)(=O)CCCCCl	788060367	ZEQCZIDTXUESDA-UHFFFAOYSA-N	308.747	1.255	50	20	DDGD	
C[C@@H](OCc1ccc(F)cc1)C(=O)NNC(=O)C1CCOCC1	883070925	JFCVBTXFWDBVDS-LLVKDONJSA-N	324.352	1.305	50	20	DDGD	
CC(C)n1ncc2cc(NC(=O)NNC(=O)C3CCC3)cnc21	782553838	UMJHYSKPDXJTKF-UHFFFAOYSA-N	316.365	1.965	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H](F)C(C)C)cn1	784154348	RVXXDBKRHOAZNK-JTQLQIEISA-N	300.359	1.402	50	20	DDGD	
COc1cc(C(=O)NNc2cc(Cl)nc(N)n2)ccc1O	785421261	BKSLWJYPNCUOET-UHFFFAOYSA-N	309.713	1.183	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)C23CCC(CC2)C3)cc1	784998596	LMRTZBBQVMQMMB-UHFFFAOYSA-N	313.357	1.665	50	20	DDGD	
COC(=O)c1ccc(/C=C(\C#N)C(=O)[C@H]2CCCOC2)n1C	899372348	NYLCQHJPXSDSQI-SERMCNLOSA-N	302.330	1.714	50	20	DDGD	
CCNC(=O)c1ccc(NC(=O)NNC(=O)C(C)C)c(C)c1	782560576	YYZPNYMTEUYQKW-UHFFFAOYSA-N	306.366	1.553	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2COc3ccccc3O2)nc1	781515933	KPKUMTJFQXJPBC-CYBMUJFWSA-N	301.302	1.373	50	20	DDGD	
COc1cccc(NNC(=O)[C@H](C)c2c(C)nn(C)c2C)n1	780770051	AGHJAQSLYSKYDW-SECBINFHSA-N	303.366	1.687	50	20	DDGD	
C[C@H]1CCC[C@H]1CNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	798511362	MINCZKDLWRDBGS-JQWIXIFHSA-N	320.349	1.975	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2ccc(O)cc2)cn1C	790141339	DWQWVURKXBCHPQ-UHFFFAOYSA-N	301.302	1.281	50	20	DDGD	
CC(C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)=C1CCCC1	792851480	XAGQCRMDXCFUJD-ZDUSSCGKSA-N	300.424	1.369	50	20	DDGD	
C[C@@H](Oc1cccc(C=NNC(=O)[C@@H]2CCOC2)c1)C(=O)O	792654889	ICACFDFBZBUZFY-ZYHUDNBSSA-N	306.318	1.025	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNc2ncccn2)cc1OC	797672636	WXEWGLWSTJGTDH-UHFFFAOYSA-N	317.305	1.420	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C(F)(F)c2nccs2)n1	794081655	NLQHYQLVPPHHAW-UHFFFAOYSA-N	312.301	1.400	50	20	DDGD	
COCCN(C)c1ccc(C=NNC(=O)c2cccnc2)cn1	790136611	NYKBFWKDCNSCQP-UHFFFAOYSA-N	313.361	1.323	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCc2ccco2)cc1OC	797358827	QYOAADRXAMIFNA-UHFFFAOYSA-N	319.317	1.441	50	20	DDGD	
C[C@@H](CCc1ccco1)NC(=O)NNc1nncc(N)c1Cl	1319190181	NEJVIFGJZBSIGU-QMMMGPOBSA-N	324.772	1.953	50	20	DDGD	
CCCc1cnc(NC(=O)C(=O)NNc2ncc(F)cn2)s1	1320866430	GDEZVZNFWXWMGT-UHFFFAOYSA-N	324.341	1.107	50	20	DDGD	
COc1ccc(C(=O)NN[C@H](Cc2ccccc2)C(N)=O)cc1	1323848009	VJNNBBJEURFHGL-OAHLLOKOSA-N	313.357	1.026	50	20	DDGD	
Cc1cc(N(C)C)ccc1NC(=O)NNC(=O)C1CCNCC1	1326075862	LROGTXNHRPRPEZ-UHFFFAOYSA-N	319.409	1.213	50	20	DDGD	
CC1CCN(CCC(=O)NN=CCCc2cnn(C)c2)CC1	1330721741	QLBXAICMPKOFGF-UHFFFAOYSA-N	305.426	1.577	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cc(C(=O)O)c(C)[nH]2)cc1	1344636378	BWLBPTBCEWGDCR-UHFFFAOYSA-N	301.302	1.794	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNC(=O)C1CCCC1)c1cnn(C)c1	1341294576	HGSGWUVOCYMGPN-CYBMUJFWSA-N	307.398	1.638	50	20	DDGD	
CC(=O)NC[C@@H]1CN(C(=O)C2CCC(Cl)CC2)CCO1	1347682255	ALIJRIABPGPZAZ-WXRRBKDZSA-N	302.802	1.148	50	20	DDGD	
Cc1ncc(C(=O)OC[C@]2(C)C[C@@H]2Br)c(N)n1	1345219802	KQIKVRQLOFMJEA-KWQFWETISA-N	300.156	1.698	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H](c2ccc(F)cc2)C1)c1cn[nH]c1	1348122501	IWDLZVMZRXEKHD-NSHDSACASA-N	317.324	1.393	50	20	DDGD	
Cn1cnc(CNS(=O)(=O)c2ccc(CCCl)cc2)n1	218911728	ONQJSQKEPXAQGP-UHFFFAOYSA-N	314.798	1.075	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCC[C@H](CC(=O)O)C2)cn1	1605491019	KOZWQXLSAZIXRZ-MYMMUUHESA-N	302.334	1.040	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@@H]1CCc2n[nH]cc2C1	1602230035	BMRUEMUGTMCHNZ-MRVPVSSYSA-N	318.308	1.495	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)C23CCC(C(=O)O)(CC2)C3)n1	1600705252	IMXUUMQHWGWEBE-UHFFFAOYSA-N	324.768	1.917	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2CSCCS2)cccc1C(=O)O	1600052292	GUIVUWZKLANYOC-NSHDSACASA-N	312.416	1.985	50	20	DDGD	
Cc1cc(NC(=O)NNc2cc(C)nc(N)n2)cc(C(=O)O)c1	1600270694	LRRPMYMYXSXXHQ-UHFFFAOYSA-N	316.321	1.522	50	20	DDGD	
Cn1cc(CCNC(=O)NNc2cccc(C(=O)O)c2F)cn1	1608109978	NUOICCIOEKMNDR-UHFFFAOYSA-N	321.312	1.126	50	20	DDGD	
O=C(Cc1ccc(C(=O)O)nc1)NNc1ncc(F)cc1F	1601358760	QAUIMGGABULCBF-UHFFFAOYSA-N	308.244	1.139	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCS1)Nc1cccc(C(=O)O)c1	1601553325	CHHHENWFXWFHGU-JTQLQIEISA-N	309.347	1.433	50	20	DDGD	
O=C(O)[C@@H](CNS(=O)(=O)CCCCl)Cc1ccccc1	1608539209	XVAFHJVNELEOEE-GFCCVEGCSA-N	319.810	1.478	50	20	DDGD	
O=C(O)[C@@H]1CCN1C(=O)[C@]1(c2ccccc2)C[C@H]1Br	1601833980	OSCRGIDUXDJHLA-WDMOLILDSA-N	324.174	1.777	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(C(=O)O)cc1OC(F)F	1603052093	CPFWYHOGIXKBRB-UHFFFAOYSA-N	303.221	1.159	50	20	DDGD	
Cc1nccnc1[C@H](C)NC(=O)NNc1cccc(C(=O)O)c1	1600756535	ZXDRDGBIZDWLPQ-JTQLQIEISA-N	315.333	1.871	50	20	DDGD	
O=C(NN=C1CCCC[C@@H]1CCCO)[C@H]1CN2CCC[C@H]2CO1	1549313723	HRXPYERMLNNHAZ-IJEWVQPXSA-N	323.437	1.285	50	20	DDGD	
O=C(NN=CCCc1ccccc1)[C@H]1CN2CCC[C@@H]2CO1	1549314204	HSQZJXMAPXLCTR-HZPDHXFCSA-N	301.390	1.584	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@@H]2C=NNC(=O)c2ccccn2)cn1	1552447865	MSYNZKJVMBHNHC-IUODEOHRSA-N	313.361	1.699	50	20	DDGD	
CCNCCCNC(=O)NNC(=O)c1nc2ccccc2s1	1577843206	YJODVEWIITYNJG-UHFFFAOYSA-N	321.406	1.240	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1CNCCC12CCC2	1579296580	DWSYXAJHAUFWDP-ZDUSSCGKSA-N	317.389	1.236	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@]12CNC[C@@H]1COC2	1579752095	VYLGOXACNSDNEH-CXAGYDPISA-N	303.406	1.798	50	20	DDGD	
N[C@@H](CCC(=O)NNC(=O)Cc1ccsc1)C(F)(F)F	1574283809	AJYKNQREUUAORT-QMMMGPOBSA-N	309.313	1.108	50	20	DDGD	
C=CC[C@]1(C(=O)NNC(=O)c2ccc3ccccc3n2)CCCN1	1574896995	DSBOCPBWOFWESM-GOSISDBHSA-N	324.384	1.694	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C2CC3(C2)C[C@@H](N)CCS3)n1	1579590762	RWTRJEYDYFLBER-AVERBVTBSA-N	321.450	1.540	50	20	DDGD	
C=C(CBr)COC(=O)c1cccc(C(=O)O)n1	1588605305	GVRAPMFSZSNPGE-UHFFFAOYSA-N	300.108	1.888	50	20	DDGD	
C/C=C(\C)C(=O)N1CCCC12CN(C(=O)C(Cl)Cl)C2	1845967165	ANHNAQOXERNVTC-YCRREMRBSA-N	305.205	1.960	50	20	DDGD	
CC(C)(C)N1CC[C@H](NC(=O)NNc2cccc(C(=O)O)c2)C1	1589806521	QKJIEICHWYYLLT-ZDUSSCGKSA-N	320.393	1.884	50	20	DDGD	
CC(C)C(=O)N1CCCC12CN(C(=O)CO[Si](C)(C)C)C2	1842614534	QOUWHOHHCXBLGD-UHFFFAOYSA-N	312.486	1.697	50	20	DDGD	
CC1(C)C[C@H](C(=O)NNc2ccc(CC(=O)O)cc2)CCO1	1593848056	GVXFPSJQZYQHPE-GFCCVEGCSA-N	306.362	1.962	50	20	DDGD	
O=C(CCc1cccs1)NNc1ccc(-c2nn[nH]n2)cn1	1592855557	HLQRFGJENKZUAX-UHFFFAOYSA-N	315.362	1.399	50	20	DDGD	
CCOc1nc(C(=O)NNc2ccc(F)c(C(=O)O)c2)co1	1597191460	GFGACPVQYRFYPR-UHFFFAOYSA-N	309.253	1.668	50	20	DDGD	
CCO/C=C\C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1590797281	PHNXKAXVNFVFCI-WAYWQWQTSA-N	308.729	1.513	50	20	DDGD	
C[C@]1(CNc2cccnc2-c2nn[nH]n2)C[C@@H]1Br	1590136389	UXGIXRVBEGFSNK-GZMMTYOYSA-N	309.171	1.847	50	20	DDGD	
CC[C@H](C(=O)O)C(=O)NNC(=O)c1ccc(Cl)cc1F	1594756186	ZMDJJFNBYBMAER-ZETCQYMHSA-N	302.689	1.351	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@H](O)c1ccc(Cl)cc1	1595262174	TYRSVDMJPJUIPN-LLVKDONJSA-N	321.720	1.610	50	20	DDGD	
Cc1cc(C=NNC(=O)Cc2ccccc2O)[nH]c1C(=O)O	1776094506	WVHXZILHXUVFEB-UHFFFAOYSA-N	301.302	1.420	50	20	DDGD	
CC(C)(C)OC(=O)N(CCO)N=Cc1ccc(C(=O)O)cc1	1776110812	VFCCINSWBNIBHY-UHFFFAOYSA-N	308.334	1.948	50	20	DDGD	
CN(C)c1ccc(C(=O)O)cc1C=NNC(=O)c1cnsn1	1776105214	SWGUCGLLZCCESV-UHFFFAOYSA-N	319.346	1.066	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc2oc(C(=O)O)cc2c1	1776117914	MCCYLYNRBMMXJI-GHXNOFRVSA-N	314.297	1.801	50	20	DDGD	
CCn1c(C)nc2cc(C(=O)NN=C3CC(C(=O)O)C3)ccc21	1776015237	SCLPMHZTIPNZOC-UHFFFAOYSA-N	314.345	1.945	50	20	DDGD	
COc1cc(C(C)=NNC(=O)c2ccc(C(=O)O)cc2)on1	1776101115	QXBSDMUAGFMHLA-UHFFFAOYSA-N	303.274	1.535	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=C1CCc2cccc(C(=O)O)c21	1776102044	FGVPGBVZRGLEJG-WCQYABFASA-N	302.330	1.576	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCc2cnn(C)c2C)s1	160027585	QAWVKDGGKBGNLF-UHFFFAOYSA-N	306.391	1.492	50	20	DDGD	
N#Cc1cccc(NNC(=O)COc2cccc([N+](=O)[O-])c2)c1	152507071	FQYWZDXJGPZDNW-UHFFFAOYSA-N	312.285	1.989	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2cccc(Br)c2)CCN1	152143285	JOHWBYBRZJKKSD-QMMMGPOBSA-N	312.167	1.418	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H]2CCC[C@@H]3OCC[C@H]23)nc1	157577713	CACJOXMWHMRFBZ-AGIUHOORSA-N	306.366	1.674	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1c[nH]nc1-c1c(F)cccc1F	155767942	WKJVUIHJZFCPES-UHFFFAOYSA-N	309.276	1.271	50	20	DDGD	
Cc1ccccc1[C@@H](C)CC(=O)NNc1ccc(C(N)=O)nn1	154282428	DRJOQMRCUOKUBV-NSHDSACASA-N	313.361	1.521	50	20	DDGD	
C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NNc1ncc(F)cn1	157440953	CYXBAPJTCULUQA-MEBBXXQBSA-N	304.325	1.614	50	20	DDGD	
CC[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(CCl)cc1	380128614	SHSCIVLUWDVLKC-LBPRGKRZSA-N	316.810	1.325	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)[C@@]1(C)C[C@H]1Br	906432714	NTFQZXFTYSMENV-PELKAZGASA-N	321.215	1.801	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@H]1C[C@H]2CC[C@H]1O2	862287908	ZDXZIWSUEHJXMC-HZSPNIEDSA-N	304.346	1.854	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)COc1ccccc1F	7538537	BQZPEUUOWCIUHJ-UHFFFAOYSA-N	316.332	1.903	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc(Cl)ccc2O)cn1	10626823	HUVDXWNCVXCLHJ-UHFFFAOYSA-N	321.720	1.524	50	20	DDGD	
COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)CC(C)(C)C)c1C	103199276	QAOGAOHXLKECSJ-UHFFFAOYSA-N	309.366	1.615	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1ccccc1)CN1CCCCC1	57044036	IEMVEIVJCYTPFY-AWEZNQCLSA-N	318.421	1.753	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@H]2CCC[C@@H]2C)c1	104817948	GFMZOLJMTKYTNZ-JSGCOSHPSA-N	305.378	1.893	50	20	DDGD	
CC(=O)NNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1	51202362	DRQWZQHUNCAXPW-GFCCVEGCSA-N	304.350	1.098	50	20	DDGD	
COc1ccccc1C/C(C)=C/C(=O)NNC(=O)c1ccc[nH]1	106731285	JOGUQNWGICCAPC-VAWYXSNFSA-N	313.357	1.973	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc(C(C)=O)cc1	110311427	XLAFFJWGVSIMJO-UHFFFAOYSA-N	312.325	1.973	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@@H]2CCCCN2C)cc1	1341473249	VCAIZXOKLPOROQ-HNNXBMFYSA-N	318.421	1.677	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)CNC(=O)c1ccc(F)cc1	171483570	SZBAUUPWSOQTST-UHFFFAOYSA-N	309.341	1.139	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1ncc2n1CCCC2	1261916546	WZTGRITWBBVDCH-UHFFFAOYSA-N	316.390	1.246	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@H]2C[C@@]23CCc2ccccc23)cn1	173688799	CLNCZMAYOYGUBG-RHSMWYFYSA-N	310.357	1.085	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2oc(C)nc2C)cc1	175186085	UQUJZNVDWNNWBA-UHFFFAOYSA-N	318.333	1.173	50	20	DDGD	
CN(CC1CCCCC1)C(=O)NNC(=O)Cc1cccnc1	170887888	VOAWJNCLFIRDRZ-UHFFFAOYSA-N	304.394	1.877	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CNc2ccccc2[N+](=O)[O-])n1	67288554	ZNSCILDWSVKTQN-UHFFFAOYSA-N	316.321	1.557	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2cc(C(F)(F)F)ccc2F)CC1	128661014	BOUUNCMVSJXCKY-UHFFFAOYSA-N	319.258	1.814	50	20	DDGD	
CCCN1CCC[C@H]1C(=O)NNC(=O)Cc1ccc(Cl)cc1	123872430	XWMIKEUGQVGLMG-AWEZNQCLSA-N	323.824	1.904	50	20	DDGD	
CCc1cccc(C)c1NC(=O)C(=O)NNc1ccc(C)nn1	123735610	OEXGAJYSYXOYPK-UHFFFAOYSA-N	313.361	1.738	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cccc(N(C)C)c2)ccn1	183433963	UMUWCBCPNSBQFW-UHFFFAOYSA-N	313.361	1.923	50	20	DDGD	
COc1cccc(CO[C@H](C)C(=O)NNC(=O)C(C)(C)C)c1	77220585	IHZUUDYXTSEHEX-LLVKDONJSA-N	308.378	1.794	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1cc(F)c(F)c(F)c1	186047952	PAPDRIXUFWXBHY-UHFFFAOYSA-N	310.235	1.965	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CC2(C)C)cc1C	128707079	UGQHQQRXSOXTEJ-GFCCVEGCSA-N	303.362	1.435	50	20	DDGD	
CC1(Cn2cc(C(=O)NNc3cccc(Cl)c3)nn2)COC1	183282392	XXXHJMYVVDUEBW-UHFFFAOYSA-N	321.768	1.725	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)CS(=O)(=O)C1CCCC1	184299788	BPZRAIUXFIRZDV-UHFFFAOYSA-N	314.382	1.935	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCOc2ccccc21)c1ccccc1O	76949055	QKHOSVBVXIMNSM-GFCCVEGCSA-N	312.325	1.720	50	20	DDGD	
O=C(NCCOc1ccc(Cl)cn1)NNc1ccccn1	126432438	JTQBXJZKMMVPEE-UHFFFAOYSA-N	307.741	1.835	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)c2ccc(F)cn2)cc1	184335008	CHIYUSSOLWJAGR-UHFFFAOYSA-N	317.324	1.753	50	20	DDGD	
COC(=O)[C@H]1C[C@H]1C(=O)NNC(=O)c1ccc(Cl)cc1F	81029901	YHUYGZMGGGMXEE-BDAKNGLRSA-N	314.700	1.049	50	20	DDGD	
CC(=O)N[C@@H](CC(=O)NNc1ncccn1)c1ccc(C)cc1	44716254	MKJMRVPFNWGBJJ-AWEZNQCLSA-N	313.361	1.496	50	20	DDGD	
CN1CCC[C@@H]1CNC(=O)NNC(=O)c1ccc(Cl)cc1	139242320	GPZDSYHBEWSOBN-GFCCVEGCSA-N	310.785	1.378	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](CCN(C)C)C(C)(C)C)o1	84159311	CWJWBPAIKJOVPK-CYBMUJFWSA-N	324.425	1.898	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)[C@H]2CC[C@@H]3CCCC[C@@H]3C2)nn1	132806428	MFOOKIVJWYLUNX-TUAOUCFPSA-N	317.393	1.625	50	20	DDGD	
CCOc1ccc(CCC(=O)NNc2nccnc2OC)cc1	131988793	RSLKIGYZZKDJBK-UHFFFAOYSA-N	316.361	1.960	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C(C)(C)C)C(=O)NCc1ccccc1	98029036	PPAFOUSBHAVPLF-NSHDSACASA-N	320.393	1.068	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)c2cc(C)n[nH]2)c(OC)c1	254308105	PBHLAIFKGKLJJB-UHFFFAOYSA-N	302.334	1.889	50	20	DDGD	
CCOC(=O)N1CCC[C@@H](C(=O)NNc2cc(C)nc(C)n2)C1	265523281	JEUYPXCYJGBZBY-GFCCVEGCSA-N	321.381	1.405	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc(-n2ccnc2S)cc1	264756007	MBHSKRVAOSLPPL-UHFFFAOYSA-N	316.386	1.722	50	20	DDGD	
CCNC(=O)c1cccc(CNC(=O)NNC(=O)C2CCC2)c1	264737079	OADVHKLTEMOMNS-UHFFFAOYSA-N	318.377	1.067	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@H](C[C@@H](C)O)c1ccccc1	268380530	WXMVMPRQWSMDLM-UKRRQHHQSA-N	321.421	1.918	50	20	DDGD	
CC(=O)NNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-]	265467025	XKQUOABXQDFLLX-UHFFFAOYSA-N	301.686	1.184	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccccc1COC1CCOCC1	268932339	CPXCPYRCEJMAIA-UHFFFAOYSA-N	318.373	1.553	50	20	DDGD	
CSSCCNC(=O)N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1	367082314	ZNTDSZVHOQCPEA-DMDPSCGWSA-N	320.480	1.976	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@]2(C)CCO[C@H]2C2CC2)n1	364240731	RPCDMGZKFNVMCB-WFASDCNBSA-N	321.381	1.317	50	20	DDGD	
CC[C@@H](C(=O)NNc1nnc(-c2ccccn2)s1)C(=O)OC	276977725	ROFCRTHLDXYGEV-QMMMGPOBSA-N	321.362	1.242	50	20	DDGD	
O=C(NNc1nnc(C2CC2)s1)[C@@H]1CCc2[nH]ncc2C1	273638277	SYCBKDBTFMHPHN-MRVPVSSYSA-N	304.379	1.387	50	20	DDGD	
CCC(=O)Nc1ccc(NC(=O)NNC(=O)C2CCC2)cc1	272831738	MVAGDYVGGGYSNT-UHFFFAOYSA-N	304.350	1.988	50	20	DDGD	
CC(=O)NCc1ccc(NC(=O)NNC(=O)OC(C)(C)C)cc1	274228232	ULXBXJQOMNOKQC-UHFFFAOYSA-N	322.365	1.884	50	20	DDGD	
CCc1nn(C)cc1NC(=O)NNC(=O)Cc1ccc(F)cc1	273355069	BXRSRCINZARLSX-UHFFFAOYSA-N	319.340	1.517	50	20	DDGD	
O=C(CN1CCOCC1)NNc1ccccc1OC(F)(F)F	275141248	OKBYTPNOMYPJAK-UHFFFAOYSA-N	319.283	1.361	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ncoc1-c1ccc(C)cc1	272670099	KMMXSKZXYPTYKS-UHFFFAOYSA-N	302.334	1.956	50	20	DDGD	
Cc1nc(-c2cccc(NC(=O)NNC(=O)CC3CC3)c2)n[nH]1	273363738	DMZJZALJVYBEKO-UHFFFAOYSA-N	314.349	1.733	50	20	DDGD	
COC(=O)[C@H]1CC[C@H]1C(=O)NNc1ccc(C#N)c(Cl)c1	286007911	HZMMEAZLZYRFDX-MNOVXSKESA-N	307.737	1.854	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1[nH]ccc1C	281568772	OONIRPHVJZRSIV-UHFFFAOYSA-N	301.346	1.726	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NC[C@H]2CCC(F)(F)C2)cc1	280430914	BDONLGBRBLBJNC-NSHDSACASA-N	322.315	1.938	50	20	DDGD	
COc1ccc(NNC(=O)C(F)(F)C2(O)CCCC2)nc1	286727028	HXPPRKXFULKWIV-UHFFFAOYSA-N	301.293	1.474	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-]	288863867	GGEFKOKBLPZHGL-UHFFFAOYSA-N	317.323	1.103	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CC1OCCCO1)c1ccccc1	280514217	MEMSEOSRIRHFNM-UHFFFAOYSA-N	306.362	1.265	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)[C@@](C)(O)C1CC1	288273547	HAMXGIVTXZAKDV-HNNXBMFYSA-N	324.402	1.096	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCC[C@](C)(OC)C1	280022878	UCLPEQWMPQKHBH-INIZCTEOSA-N	321.377	1.551	50	20	DDGD	
O=C(NNc1nnc[nH]1)[C@H](c1ccccc1)N1CCCCC1=O	294090281	ZPUOCDDABRAHIT-ZDUSSCGKSA-N	314.349	1.002	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)NC[C@H]2C[C@@H]2C)cc1C	298743753	PGLNLLHHYXZMEQ-NWDGAFQWSA-N	318.377	1.228	50	20	DDGD	
O=C(NCCc1cnccn1)NNc1ccc2c(=O)[nH]ccc2c1	807071357	GXJNDPXHEBCFFS-UHFFFAOYSA-N	324.344	1.187	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)nn1	807955438	WVNDITXIZYGZEL-UHFFFAOYSA-N	317.309	1.113	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCC[C@H]1C(C)C	298043513	HAPHPRHBZHRLIB-INIZCTEOSA-N	317.433	1.805	50	20	DDGD	
CCOC(=O)CC(C)(C)CC(=O)NNc1ccnc(N(C)C)n1	806900805	BLNHYGXZZDEXIN-UHFFFAOYSA-N	323.397	1.355	50	20	DDGD	
CCOC(=O)c1cc(C(=O)NNc2cc(C)ccn2)[nH]c1C	295146213	PERVVEASSQFTQG-UHFFFAOYSA-N	302.334	1.960	50	20	DDGD	
O=C(Cc1cccc(Cl)c1F)NNC(=O)c1cccnc1	809956417	FVWDFCDYTNXECH-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1nn(-c2ccccc2)cc1O	804767181	BZMHAXVDCQWIJY-UHFFFAOYSA-N	313.292	1.869	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc3oc(O)nc3c2)n1	805203570	KYFGRXWAOFPHJJ-UHFFFAOYSA-N	312.285	1.312	50	20	DDGD	
COc1ccc2c(c1)C[C@@H](C(=O)NNC(=O)CC1CC1)CO2	294208034	PUULYNYQSCNBGE-GFCCVEGCSA-N	304.346	1.194	50	20	DDGD	
O=C(COCc1cccnc1)NNc1cnc2ccccc2n1	807426352	MTFFNGKZPKUDEJ-UHFFFAOYSA-N	309.329	1.685	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1ccc(-n2cccc2)cc1	802030045	UNBINCBHUFUFGX-UHFFFAOYSA-N	321.340	1.761	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)C[C@H]2CCc3ccccc3C2)O1	294095577	DFDSCQAABAGIKZ-XEZPLFJOSA-N	316.401	1.897	50	20	DDGD	
COc1ccnc(NNC(=O)c2n[nH]c3c(OC)cccc23)n1	809602337	WFNZMGCNNINJME-UHFFFAOYSA-N	314.305	1.127	50	20	DDGD	
COCc1ncc(C(=O)NNc2cnnc3ccccc23)s1	806856996	MAXMHTZCBMEUAQ-UHFFFAOYSA-N	315.358	1.990	50	20	DDGD	
O=C1Nc2cccc(C(F)(F)F)c2C1=NNC(=O)C(F)F	800815542	DHMHYTAPVYTEKO-UHFFFAOYSA-N	307.178	1.743	50	20	DDGD	
CC(C)OCCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	298294707	DZLLFWJNLPQTRU-UHFFFAOYSA-N	316.361	1.653	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)O1	297074987	DQAFLPMKUJYHOB-WTDIUWLJSA-N	321.352	1.580	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1CCCc2sccc21	814762685	HVNOJASRIHHLKT-GFCCVEGCSA-N	321.446	1.873	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCC(C)(C)C(=O)O	818324775	OGVDQLCMZBHAKZ-UHFFFAOYSA-N	315.801	1.969	50	20	DDGD	
O=C(CCc1ncccn1)NNC(=O)Cc1c[nH]c2ccccc12	812450924	BCDWOEBAYZCYMU-UHFFFAOYSA-N	323.356	1.281	50	20	DDGD	
Cc1oc(-c2ccco2)nc1CC(=O)NNc1cnnn1C	816771457	NKOBYNNPTMFCIT-UHFFFAOYSA-N	302.294	1.057	50	20	DDGD	
CCCc1[nH]ccc1C(=O)NNC(=O)COc1ccccc1O	817532132	YMSLVFXQQBXOCK-UHFFFAOYSA-N	317.345	1.513	50	20	DDGD	
O=C(NCCOc1ccccc1F)NNc1ncncc1F	814269318	VNOORQIAANZHNJ-UHFFFAOYSA-N	309.276	1.460	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H](C)C(C)(F)F)c1	814726694	HGZCMSYISRIIED-MRVPVSSYSA-N	316.304	1.756	50	20	DDGD	
CC(=NNC(=O)c1ccc(N)cc1)c1cc([N+](=O)[O-])ccc1N	814690332	DQEYCTHEECGBHX-UHFFFAOYSA-N	313.317	1.913	50	20	DDGD	
CN(C)CCc1ccc(C(=O)NNC(=O)c2cccn2C)cc1	816823969	LWTOSZZTDIIURX-UHFFFAOYSA-N	314.389	1.204	50	20	DDGD	
C[C@@H](CN1CCCCCC1)C(=O)NN=C1CCN(C(N)=O)CC1	812444113	XOEMJFLAFMWZAN-ZDUSSCGKSA-N	323.441	1.145	50	20	DDGD	
Cc1c(C(=O)NNc2cnnn2C)cnn1Cc1ccccc1	816772230	RNVVRAXCZBTMBC-UHFFFAOYSA-N	311.349	1.125	50	20	DDGD	
COc1ccc(NCC(=O)NN=C(C)C[C@@H]2CCC(=O)N2)cc1	811631452	YSPMKWGEXATKFV-ZDUSSCGKSA-N	318.377	1.268	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)COc1ccc(F)cc1)n1cccn1	819007923	HJQGWCIMSCSLHC-NSHDSACASA-N	320.324	1.200	50	20	DDGD	
CCc1cnc(C=NNC(=O)Cc2cc(O)nc(S)n2)s1	814782445	VRVHIQIXDMWIDJ-UHFFFAOYSA-N	323.403	1.183	50	20	DDGD	
CCN1CCC[C@H]1CNC(=S)NNC(=O)CC(C)(C)C	728445888	MAVNTCGRWTXMHT-NSHDSACASA-N	300.472	1.402	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)c2ccc(Cl)cc2)cn1	814688161	MWGXINVXMUAKLW-UHFFFAOYSA-N	303.753	1.960	50	20	DDGD	
CNC(=O)NNC(=O)c1nn(-c2cccc(F)c2)c2c1CCC2	817522635	OGBVYGARFLVVNF-UHFFFAOYSA-N	317.324	1.074	50	20	DDGD	
O=C(NNc1ncncc1F)C1CCC(NC(=O)C2CC2)CC1	817082196	PXDSVEBTSACEIJ-UHFFFAOYSA-N	321.356	1.144	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)Cc2cccnc2)c1	728798611	JGTKVULGDVSOIO-UHFFFAOYSA-N	310.382	1.623	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccncc1	826445932	ROBXYXNPZDNQJB-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
CC(C)C1(C)CCN(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)CC1	827284690	XSMHRZFWHLBORV-STQMWFEESA-N	311.426	1.910	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)OC[C@H]2CN(C)C(=O)O2)c1	495729991	NFURTXYNTWVIQK-TZWLIRKLSA-N	316.313	1.596	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=S)NCC2CCC2)c1	727270391	HVDOWMWGOUMHPQ-UHFFFAOYSA-N	323.418	1.613	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1C[C@H](c2ccccc2)C[C@@H]1C	827834527	OGSDQZMUHMOFTL-DZGCQCFKSA-N	303.406	1.668	50	20	DDGD	
CCCCSCC(=O)NNc1cccc(-c2nn[nH]n2)c1	825296557	OFYOBUIUGMPAMJ-UHFFFAOYSA-N	306.395	1.843	50	20	DDGD	
CC(C)(CN1CCOCC1)C(=O)NNc1cccc(C#N)c1	821148426	REPAJANYPAKOPW-UHFFFAOYSA-N	302.378	1.360	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)Cc2ccccc2C)no1	826982924	VUQWCKCOQXBVRZ-UHFFFAOYSA-N	301.346	1.939	50	20	DDGD	
O=C(CSC[C@H]1CCCO1)NNC(=O)c1cccs1	727364286	QQYFNWKLGAOFHW-SECBINFHSA-N	300.405	1.421	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)CCO2	826447127	OMRSOLUPPLSHTH-UHFFFAOYSA-N	322.328	1.559	50	20	DDGD	
Cc1cc(C(F)(F)F)ccc1CNCc1ccc(B(O)O)cc1	585037404	WIMMBDIYXAHSEN-UHFFFAOYSA-N	323.123	1.983	50	20	DDGD	
CN(NC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)C1CC1	823972278	UFLHUSRUOWQDGM-UHFFFAOYSA-N	312.395	1.068	50	20	DDGD	
N#C/C(=C/c1cnn(CC(F)F)c1)C(=O)N=c1cc[nH]cc1	491162200	RAFCVRMUFRTLRB-WZUFQYTHSA-N	303.272	1.511	50	20	DDGD	
CCc1cc(C(=O)NC[C@@]2(C)C[C@H]2Br)n(C)n1	824804086	DWCRKAXIKOFGCH-ZYHUDNBSSA-N	300.200	1.886	50	20	DDGD	
CCOc1ccccc1[C@@H](CC)NCc1ccc(B(O)O)o1	585021167	QDWLOGVFXKRQNA-CQSZACIVSA-N	303.167	1.599	50	20	DDGD	
CC(=NNC(N)=O)[C@H]1CN(C(=O)OCc2ccccc2)CCO1	495012571	PJDIEEJJUVZAJR-CYBMUJFWSA-N	320.349	1.068	50	20	DDGD	
C=CCCn1cc(C(=O)OCC(=C)CBr)nn1	820971482	UOPZVCQYEXCGOY-UHFFFAOYSA-N	300.156	1.962	50	20	DDGD	
CCOC(=O)NNC(=O)c1cnn(Cc2ccc(OC)cc2)c1	495835166	VKAINEQEQLWHLT-UHFFFAOYSA-N	318.333	1.331	50	20	DDGD	
COc1cccc(C(C)(C)CNCc2ccc(B(O)O)o2)c1	585030469	SYYXIMCJUGLSIN-UHFFFAOYSA-N	303.167	1.035	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1sccc1-c1nn[nH]n1	738137952	VJQMKWWFHMWYFI-UHFFFAOYSA-N	322.741	1.129	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1nc(-c2ccncc2)no1)[C@@H](C)N	828217746	MBEPMMJMYRFFCN-MWLCHTKSSA-N	304.354	1.194	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)NC2CCCC2)C[C@@H]1Br	906439339	YQRSVYRZZHHPNG-KWQFWETISA-N	304.188	1.433	50	20	DDGD	
C=C(CI)n1cc(C[C@H](O)C(C)C)nn1	900641670	YXBFQEOXPRGGDX-JTQLQIEISA-N	321.162	1.743	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C=NNC(=O)c2ccc[nH]2)C1	497273702	CQHOANIZRMSMJN-ZBEGNZNMSA-N	318.377	1.987	50	20	DDGD	
CCOCC(=O)NN=C1C[C@H](NC(=O)OC(C)(C)C)C1(C)C	497267990	GDDYCDWEUKEZFM-JTQLQIEISA-N	313.398	1.818	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc(F)c(Cl)c1	495448076	LQYOFHSJJBNIFL-UHFFFAOYSA-N	303.677	1.195	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccnc(NC2CCC2)c1	908518702	ZRMFSSNAPIQZAV-ZDUSSCGKSA-N	318.377	1.376	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C#CC(C)(C)C)cc1OC	837314789	WYZIUJVUTSWMLL-UHFFFAOYSA-N	318.373	1.904	50	20	DDGD	
CCOc1ccc(-c2nc(C)c(C(=O)NCB(O)O)s2)cc1	585060331	DVIDQEWLHOUARM-UHFFFAOYSA-N	320.179	1.259	50	20	DDGD	
CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccccc1O	735451083	OJKKPHKJZXHNLC-UHFFFAOYSA-N	322.328	1.726	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1nc2cc(Cl)ccc2n1C	833384123	CKQMVRQFAXNEAR-UHFFFAOYSA-N	323.740	1.335	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)c2ncon2)CCC1	832825913	LPMQSIKCOWOKLQ-UHFFFAOYSA-N	300.318	1.261	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)/C=C(\C)Cl	907426576	KDFNRAUQRRSBBR-BQYQJAHWSA-N	318.782	1.684	50	20	DDGD	
CCOC(=O)N(C)CCCC(=O)NNC(=O)NC1CCCC1	900413480	UBCSOGHHRAFBSM-UHFFFAOYSA-N	314.386	1.128	50	20	DDGD	
COCCN1CCC(NC(=O)[C@@]2(C)C[C@H]2Br)CC1	906416690	RRKITTKHORCHNF-YPMHNXCESA-N	319.243	1.387	50	20	DDGD	
CC(C)(C)c1ncsc1NC(=O)c1cccc(B(O)O)c1	584958044	TZBYQIQACSDJAQ-UHFFFAOYSA-N	304.180	1.373	50	20	DDGD	
C[C@@H](C(=O)O)n1cccc1C=NNC(=O)c1cccc(C#N)c1	833406196	LOQTZEPZVZHJCI-NSHDSACASA-N	310.313	1.769	50	20	DDGD	
O=C(c1cc(-c2cccc(Cl)c2)no1)N1CC[C@H](B(O)O)C1	585078259	XCKUJFJMMNDQJY-JTQLQIEISA-N	320.541	1.684	50	20	DDGD	
O=C(NC[C@H]1CCCNC1=O)NNc1ccc(Cl)c(F)c1	838779763	QNUFSGSYAVHXAT-MRVPVSSYSA-N	314.748	1.631	50	20	DDGD	
CC(C)CCC1CCN(C(=O)c2ccc(B(O)O)cc2)CC1	584963254	WUBUSCONYWKEKB-UHFFFAOYSA-N	303.211	1.655	50	20	DDGD	
COc1ncccc1C(=O)NNC(=O)c1cn(C)c2ccccc12	906881413	AVQXKHUWAWFLIP-UHFFFAOYSA-N	324.340	1.657	50	20	DDGD	
CCCCNC(=O)C1(NS(=O)(=O)CCl)CCCCC1	830344048	LMKKUEOWIKCWRA-UHFFFAOYSA-N	310.847	1.721	50	20	DDGD	
CCNC(=O)N1CCN(C(=O)[C@@]2(C)C[C@@H]2Br)CC1	905480379	AOWAQKBMUZZYIQ-CABZTGNLSA-N	318.215	1.034	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@]2(C)CCCCO2)c1O	839568694	PXSDCGDXYUGNEU-OAHLLOKOSA-N	308.334	1.121	50	20	DDGD	
Cc1ccc(OCCCCNCc2ccc(B(O)O)cc2)cc1	585017205	PDLHNAWMTUJBFZ-UHFFFAOYSA-N	313.206	1.624	50	20	DDGD	
COC(=O)c1cccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	831241087	OERRCGDVYBJWED-BXKDBHETSA-N	321.333	1.051	50	20	DDGD	
O=C(NCCc1cccs1)NN=C1CCCS(=O)(=O)C1	731925402	CBYHOZDEFYLNSG-UHFFFAOYSA-N	315.420	1.154	50	20	DDGD	
C[C@H](O)C[C@H](CNCc1cccc(B(O)O)c1)c1ccccc1	585029486	ZNMCABMLGXNWPW-WMLDXEAASA-N	313.206	1.011	50	20	DDGD	
CC(C)Oc1c(F)cc(NCc2ccc(B(O)O)o2)cc1F	585033815	CZRNSIMVTWVHNF-UHFFFAOYSA-N	311.093	1.637	50	20	DDGD	
CCOc1ncccc1CNC(=O)NNC(=O)C1CCCC1	916400381	HVEORJYSDWRBFW-UHFFFAOYSA-N	306.366	1.501	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CC[C@@H](C3CCC3)C2)cc1	839674586	FGUWBFFAZVVEMI-MRXNPFEDSA-N	315.417	1.878	50	20	DDGD	
C=C(CBr)COC(=O)[C@@H]1CCCN1C(=O)C1CC1	830321326	GQKXSNOKLFHOSU-NSHDSACASA-N	316.195	1.882	50	20	DDGD	
Cc1nc(O)ccc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	749177414	UBZNXARKWZSYTR-UHFFFAOYSA-N	316.273	1.079	50	20	DDGD	
C=CCNC(=S)NNC(=O)Nc1ccc(OC(F)F)cc1	741868726	ZYVAQCPEBSFHHR-UHFFFAOYSA-N	316.333	1.975	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1noc(-c2cccc(F)c2)n1	746112223	SZLLEHOEGUZUFW-UHFFFAOYSA-N	306.297	1.683	50	20	DDGD	
N[C@@H]1CCC[C@H](C(=O)NNc2ncc(Br)cn2)C1	848436610	XXLQCCXPLVEKSQ-IONNQARKSA-N	314.187	1.200	50	20	DDGD	
CCc1cc(CNC(=O)NNC(=O)Cc2ccc(F)cc2)on1	741277454	WSVLYIIJNYQXAN-UHFFFAOYSA-N	320.324	1.449	50	20	DDGD	
CC(=O)Nc1cccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1C	843656399	MTSOGGZJSSTHGQ-ZWNOBZJWSA-N	319.361	1.139	50	20	DDGD	
CC(=O)N1CC[C@@](C)(C(=O)NNc2cccc([N+](=O)[O-])c2C)C1	748673294	GDGPVZJNPVFQRB-OAHLLOKOSA-N	320.349	1.605	50	20	DDGD	
Cc1cc(C(=O)NN=c2sc3ccccc3n2C)nn1C	917515538	NSRWXZNAXHOEBU-UHFFFAOYSA-N	301.375	1.527	50	20	DDGD	
O=C(NCC[C@@H]1CCNC1)NNc1ccc(OC(F)F)cc1	841938301	METGMRYTIYEVJL-JTQLQIEISA-N	314.336	1.914	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1nc(C)n2ccccc12	748260023	OQAWBKYGRNFFRW-NSHDSACASA-N	304.350	1.144	50	20	DDGD	
O=C(C[C@H]1CCS(=O)(=O)C1)NNc1ccc(F)cc1F	747357944	YVRGJASRUDPFRD-MRVPVSSYSA-N	304.318	1.233	50	20	DDGD	
CC(C)[C@@H](N)CNC(=O)NNC(=O)Cc1ccc(Cl)cc1	841944026	UIDLNPFWDIQWPI-LBPRGKRZSA-N	312.801	1.196	50	20	DDGD	
NC[C@H](NC(=O)NNc1ncnc2ccsc12)C1CCCC1	841986467	NLZITDSHFANZQX-NSHDSACASA-N	320.422	1.835	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H](C)n2cncn2)c1C	914604635	YIWNYKGAUYNAAZ-NSHDSACASA-N	318.406	1.474	50	20	DDGD	
C/C(=C/C(=O)NNc1nnc(C)c(O)n1)c1ccc(F)cc1	749262711	ZGRYKZMQUDBHRK-FPLPWBNLSA-N	303.297	1.571	50	20	DDGD	
O=C(CCc1cc(F)ccc1F)NNC(=O)CC(F)(F)F	919751384	SANJDTDQUDGIIU-UHFFFAOYSA-N	310.222	1.997	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Cc1ccc2ccccc2c1)[C@@H](C)O	842227577	TZRVTUWYLRDGBP-WBMJQRKESA-N	314.385	1.937	50	20	DDGD	
COc1cccc(C(=O)CCCC(=O)NN(C)C[C@H](C)O)c1	910147038	ISCOZGMQGKFYML-LBPRGKRZSA-N	308.378	1.392	50	20	DDGD	
N[C@H]1CCC[C@H](NC(=O)NNC(=O)CCCc2ccccc2)C1	841981341	ZQXQFFVLRJATSE-GJZGRUSLSA-N	318.421	1.610	50	20	DDGD	
CN(C)CCCNC(=O)NN=c1sc2ccccc2n1C	915882519	QJVRICMIXOOXPY-UHFFFAOYSA-N	307.423	1.306	50	20	DDGD	
CC(C)(C)OC(=O)NCc1ccc(C(=O)NNC(=O)C2CC2)o1	742471309	BJCPUWVTCKIMKA-UHFFFAOYSA-N	323.349	1.475	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(Cl)ccc1OC(F)F	748702353	IRXMPPLMXUCEQB-UHFFFAOYSA-N	307.684	1.905	50	20	DDGD	
CC[C@H](CNC(=O)NNc1ccc(CC(=O)OC)cc1)OC	845208881	IRCCDFLIWRHHJK-CYBMUJFWSA-N	309.366	1.453	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCCc1ccc(F)cc1	847094547	BYEAPAITVGQOGK-RISCZKNCSA-N	308.353	1.721	50	20	DDGD	
N[C@@H]1CCC[C@@H](NC(=O)NNC(=O)CCCc2ccccc2)C1	841981342	ZQXQFFVLRJATSE-HUUCEWRRSA-N	318.421	1.610	50	20	DDGD	
CCS(=O)(=O)CCCNC(=O)NNc1ccc(F)cc1	840471422	GARWVEMHQJPZSJ-UHFFFAOYSA-N	303.359	1.277	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)c1ccc(Cl)cc1OC	755092773	YIHZVQQNOFRTTM-VIFPVBQESA-N	314.769	1.782	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)c1ccc(C)o1)C(F)(F)F	752373566	BYSKRXBICOTCHH-MRVPVSSYSA-N	309.244	1.109	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN[C@H]2CCCC2(C)C)cc1	755053657	CCYXVYBXNPOSMX-AWEZNQCLSA-N	303.406	1.924	50	20	DDGD	
Cc1nccc(CCC(=O)NNC(=O)OCC(F)(F)F)n1	856019024	MRNWGPCWUVUEJO-UHFFFAOYSA-N	306.244	1.037	50	20	DDGD	
CN(NC(=O)CCC1(CCC(=O)NN(C)C2CC2)CC1)C1CC1	854983425	FRDIVSLSGCFFSW-UHFFFAOYSA-N	322.453	1.578	50	20	DDGD	
CCc1cc(C(=O)NNC(=S)N[C@H](C)C2CC2)ccc1O	855097564	SYDOZQOOESZJJQ-SECBINFHSA-N	307.419	1.862	50	20	DDGD	
C[C@]1(CNC(=O)CCn2ccccc2=O)C[C@@H]1Br	857397697	IPMPGGYGJJQCBH-GXFFZTMASA-N	313.195	1.528	50	20	DDGD	
CN(CCC(=O)N(C)CCC#N)NC(=O)OCc1ccccc1	859387175	RFCHUFNKWBSARO-UHFFFAOYSA-N	318.377	1.522	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(-c2csnn2)cc1	756204448	AZVAGOHLJCHIBG-UHFFFAOYSA-N	321.362	1.394	50	20	DDGD	
CCn1ncc(C)c1NC(=O)C(=O)NNc1ccc(F)cc1C	850422480	RUQHWJQWTPECNS-UHFFFAOYSA-N	319.340	1.741	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc2c(c1)nc(O)n2C1CC1	854929276	DHYMGLIKHKEBKG-UHFFFAOYSA-N	319.390	1.158	50	20	DDGD	
CCn1cc([C@H](C)NC(=O)NNC(=O)c2cccc(F)n2)cn1	852374250	SWWSCWIGPXRURQ-VIFPVBQESA-N	320.328	1.142	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NNC(=O)C1CCCC1	753032999	NMEWHRMHZVWYCW-UHFFFAOYSA-N	304.350	1.160	50	20	DDGD	
Cn1nncc1NNC(=O)C[C@@H]1CSc2ccccc2O1	857270424	BRSAQVPNXBQISG-SECBINFHSA-N	305.363	1.202	50	20	DDGD	
C[C@H](N)CCNC(=O)NNC(=O)c1cccc2ccccc12	857111941	AEZKTTFDGJBAGD-NSHDSACASA-N	300.362	1.521	50	20	DDGD	
Cn1cc(C#N)c(NS(=O)(=O)c2ccc(CCCl)cc2)n1	755980031	KEVTZUJJKNVXNG-UHFFFAOYSA-N	324.793	1.874	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@]3(CCNC3)C2)C[C@@H]1Br	857106117	YTDWNDZQSDWSOC-UHTWSYAYSA-N	316.243	1.555	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1	755610275	OUYVFVTVRQZAGF-UHFFFAOYSA-N	304.350	1.485	50	20	DDGD	
C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CCC(=C2CCC2)CC1	853303412	MSRKTQWGULDRNK-SNVBAGLBSA-N	313.423	1.451	50	20	DDGD	
CC(C)CN(CCC#N)CC(=O)NNC(=O)c1cccs1	755669459	GTVRYWUGUIZVEH-UHFFFAOYSA-N	308.407	1.381	50	20	DDGD	
C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H]1Br	857249145	BXXQKUIVLRLGEI-WPRPVWTQSA-N	302.128	1.826	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1nc2ccccc2n1C	920829163	AUCZKVKWOCBNIJ-UHFFFAOYSA-N	303.366	1.633	50	20	DDGD	
CCOC(=O)NCCC(=O)NC[C@@]1(C)C[C@@H]1Br	857397880	JKRPHAOOQAXDEW-GZMMTYOYSA-N	307.188	1.412	50	20	DDGD	
O=C(NNC(=O)c1cnc2n1CCCC2)OCC(F)(F)F	856020338	CZMIAZAICFKQOQ-UHFFFAOYSA-N	306.244	1.153	50	20	DDGD	
Cc1cc(C)c(/C=C\C(=O)NNC(=O)Cc2cc[nH]n2)cc1C	755284106	KKDSTHAILAECHG-PLNGDYQASA-N	312.373	1.738	50	20	DDGD	
Cn1cccc1CNC(=O)NC[C@]1(C)C[C@H]1Br	856837490	MLLTUESTRWJUNV-PWSUYJOCSA-N	300.200	1.998	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCc1c[nH]c2cc(C)ccc12	854924540	KLZJWARRLXAISY-UHFFFAOYSA-N	304.419	1.876	50	20	DDGD	
Cc1cccc2[nH]c(C=NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc12	853284857	LHSZIJCZNCWQKY-LLVKDONJSA-N	319.386	1.361	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCCOC(C)(C)C)n1	852551755	WBDYFODUUJLJMD-UHFFFAOYSA-N	311.386	1.625	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C	854925132	CAVDQCHKIBLTTD-ZDUSSCGKSA-N	320.418	1.429	50	20	DDGD	
COC(=O)[C@H]1C[C@H](NC(=O)NC[C@@]2(C)C[C@@H]2Br)C1	856923963	YLDJKHDXTVTLAP-PHGLEFOZSA-N	319.199	1.411	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cn(CC(F)F)nc1C	930717914	MEYFUQGZPSPECJ-UHFFFAOYSA-N	303.313	1.201	50	20	DDGD	
CSC(C)(C)C(=O)NNC(=O)c1cc(Cl)ccc1O	856773383	XEVIJFCVBNUIKX-UHFFFAOYSA-N	302.783	1.948	50	20	DDGD	
C#CCNC(=S)NNC(=O)CCSc1ccc(F)cc1	758174820	HSCAQSCIVYSBSK-UHFFFAOYSA-N	311.407	1.436	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(OC(F)F)nc1	931320832	JRQLAPVHTPDBST-UHFFFAOYSA-N	312.276	1.639	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccccc2O)nnc1C	756574604	YOTFZTMZVZPHNY-UHFFFAOYSA-N	301.306	1.266	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H](Oc2ccccc2)C(C)(C)O)cc[nH]1	862514259	WAJGZXSCEDOHPJ-OAHLLOKOSA-N	315.373	1.474	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)Nc2ccc(OC)cc2)c1C	868118081	CQNZGVGSMNTIOO-UHFFFAOYSA-N	317.349	1.687	50	20	DDGD	
Cc1cccc(NNC(=O)C[C@H](C)NC(=O)C2CCCC2)n1	862523538	HXSUKPCOWQKSOM-LBPRGKRZSA-N	304.394	1.918	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)/C(=C\c1ccccc1)C(F)(F)F	867672236	GVIZMCCCDAFLKW-CSKARUKUSA-N	316.279	1.551	50	20	DDGD	
CCOC(=O)N1CCC[C@H](C(=O)NN=c2cc[nH]c(C)c2)C1	862509699	REVNTTKGVYIPIY-LBPRGKRZSA-N	306.366	1.124	50	20	DDGD	
O=C(NNc1ccccc1)NC1CCN([C@@H]2CCC[C@@H]2O)CC1	769157508	WHSFLOWHHWHHNP-CVEARBPZSA-N	318.421	1.691	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)c2ccncc2F)cc1	769226023	VXHAIXWNJBKEEZ-UHFFFAOYSA-N	317.324	1.753	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NNC(=O)Cc1ccccc1F	862994502	VNKUXPZUXRELOL-ZDUSSCGKSA-N	307.369	1.388	50	20	DDGD	
CN=[S@](C)(=O)c1cccc(NCc2cccc(B(O)O)c2)c1	864014548	SCQXXDVVVKYPFY-JOCHJYFZSA-N	318.207	1.065	50	20	DDGD	
CC(C)[C@@H]1CCCCC1=NNC(=O)Cc1cc(O)nc(O)n1	764697409	DHHFMIAYQFCVTF-NSHDSACASA-N	306.366	1.749	50	20	DDGD	
Cn1cc(C(=O)NNc2ncc(F)cn2)c(-c2ccncc2)n1	1116397423	MXDDXTOBRXYMKB-UHFFFAOYSA-N	313.296	1.168	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H](O)Cc2ccccc2Cl)n1	771987076	CUJRXDKCSHKWNX-ZDUSSCGKSA-N	320.780	1.794	50	20	DDGD	
CC1(OCC(=O)NNC(=O)c2c[nH]c3ccccc23)CCC1	773258566	BRWPFDUHXRACOV-UHFFFAOYSA-N	301.346	1.888	50	20	DDGD	
CCS(=O)(=O)N[C@@H](C)C(=O)NNc1cc(Cl)ccc1F	871271431	OUQUAFKIORMIMX-ZETCQYMHSA-N	323.777	1.250	50	20	DDGD	
CCCN(C)CC(=O)NNC(=O)c1nc2ccccc2s1	874913553	OGJYLTDKUJEDMV-UHFFFAOYSA-N	306.391	1.399	50	20	DDGD	
COCCOCC(=O)NN=C1c2cccc(F)c2CC[C@H]1C	872401925	NUAPXOSGIFSSDU-LLVKDONJSA-N	308.353	1.891	50	20	DDGD	
CC[C@H]1CCCN(C(C)(C)CNC(=O)NN(C)C(=O)OC)C1	875269354	VYNQLZCBHCNMGD-LBPRGKRZSA-N	314.430	1.799	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2CCc3cc(O)ccc3C2)nn1	775075980	SOGHMKCQSODDNZ-CYBMUJFWSA-N	313.361	1.674	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2ocnc2C)nc1C	778424964	IGGFMFXCYBNBKS-UHFFFAOYSA-N	305.294	1.015	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1nc(C(C)C)n2ccccc12	779821311	SRMHCHCRXGQGED-UHFFFAOYSA-N	317.349	1.264	50	20	DDGD	
O=C(CC1CCCC1)NN=Cc1cn(C[C@@H]2CCCO2)nn1	872347533	QHLIOBFIZLRBPX-AWEZNQCLSA-N	305.382	1.488	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2cccs2)[nH]n1)c1ccncn1	779041706	UIMSSXDLNFDUMR-UHFFFAOYSA-N	314.330	1.003	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(C2OCCO2)cc1	887150491	MHUWKGSTHWRUFS-UHFFFAOYSA-N	302.330	1.297	50	20	DDGD	
COCc1nnc(-c2cccc(C(=O)NNC(=O)C3CC3)c2)o1	776702009	GOCVUUDFVVDMDZ-UHFFFAOYSA-N	316.317	1.054	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)N1CCN(C)CC1)c1ccc(F)cc1	773656034	AOLYOSRJYIJNGF-QXMHVHEDSA-N	320.368	1.217	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNC(=O)c1ccc2ccccc2c1	779743605	MRCPLBWQMDPBFN-UHFFFAOYSA-N	314.341	1.943	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc(C(C)C)n1	772183581	OUSFQVHFYDQXTI-JTQLQIEISA-N	307.350	1.308	50	20	DDGD	
CC(=O)Nc1ccccc1CC(=O)NNc1ccc(Cl)nn1	770005272	ZDUXZHDSGCQBTL-UHFFFAOYSA-N	319.752	1.774	50	20	DDGD	
CC(C)n1cc(C(C)(C)NS(=O)(=O)CCCCl)nn1	882272870	ARIHEWUUKULYLO-UHFFFAOYSA-N	308.835	1.642	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCNC(=O)C1CCCCC1	887143378	WUDBDQJAPPIAKZ-UHFFFAOYSA-N	307.394	1.024	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H]1CCCN(CC(F)(F)F)C1	882233609	QQFGPPJEZOJZMQ-SECBINFHSA-N	322.780	1.561	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)C1CCS(=O)(=O)CC1	885110894	ONNDBMGEZREEJI-UHFFFAOYSA-N	304.318	1.233	50	20	DDGD	
CC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)CC(C)(C)CCl	885386680	XSNHIMBQOPMBQT-NXEZZACHSA-N	312.863	1.474	50	20	DDGD	
Cn1ncc(NC(=O)NN=c2cc[nH]cc2)c1C(F)(F)F	782104777	ULSSIOVCQNXGMK-UHFFFAOYSA-N	300.244	1.404	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1CCO[C@H](c2ccccc2)O1	887149057	HYFFPLWKKQIBRO-YOEHRIQHSA-N	316.357	1.442	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1nc2cccnc2s1	788266786	QIYKKUWTNRKNAC-UHFFFAOYSA-N	301.331	1.105	50	20	DDGD	
CN(CCN1CCCC1=O)C(=O)[C@@H](Br)C(C)(C)C	781088288	VURFZFJVBIBCHG-LLVKDONJSA-N	319.243	1.877	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)n1	780042124	PDDZUQSPSUKASC-OASPWFOLSA-N	308.382	1.776	50	20	DDGD	
C[C@H]1COCC1=NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	884439927	UGOJJFNLFDFDCH-VIFPVBQESA-N	302.309	1.968	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cc(C)nnc2C)c1	781034819	QGMHBMKQDIVNCZ-UHFFFAOYSA-N	300.318	1.637	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCCCc1ccccc1	892229686	VSKIZZBWPULOOW-DZGCQCFKSA-N	304.390	1.972	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cc3nn[nH]c3cc2F)c1	781919728	JEMZEXAMEAIZNH-UHFFFAOYSA-N	324.275	1.043	50	20	DDGD	
CO[C@]1(C(=O)NNc2cnc3ccccc3n2)CCSC1	897585914	ZMDRFJZSWVAHSY-CQSZACIVSA-N	304.375	1.595	50	20	DDGD	
N#CSCCCNC(=O)Cc1ccn(CC(F)(F)F)n1	898939994	YAIMIFRECOBACZ-UHFFFAOYSA-N	306.313	1.708	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Cc1ccc2c(c1)NC(=O)C2	784578967	CWIALPIHXHOXPC-UHFFFAOYSA-N	323.352	1.493	50	20	DDGD	
CN(C(=O)/C(C#N)=C/c1ccc(O)cc1)[C@H]1CCCCNC1=O	787296517	NVZVRLLJAFAEKW-VOMSXAGXSA-N	313.357	1.426	50	20	DDGD	
CCOc1cccc(NC(=O)C(=O)NNc2cc(C)ncn2)c1	783947495	AVAMMMIERJGSKK-UHFFFAOYSA-N	315.333	1.266	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2cc(F)cc(Cl)c2)C(=O)O1	896371691	LVXFDLNHKRYQOQ-LDWIPMOCSA-N	301.705	1.809	50	20	DDGD	
COC(=O)NNC(=O)CCC(=O)Nc1c(F)cccc1F	895510181	LHYIQOMMAGJMRQ-UHFFFAOYSA-N	301.249	1.071	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H](C(=O)NNC(=O)CC(F)(F)F)C1(C)C	781911497	YONDENQVUMCFNM-HTQZYQBOSA-N	308.300	1.728	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2ccc(F)c(F)c2F)on1	781423017	SQYNFWNOZXHORU-UHFFFAOYSA-N	315.207	1.635	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@H]2[C@@H](O)CC[C@H]2C1	899392507	BZCLFQRTCBEQRN-XQQFMLRXSA-N	311.813	1.582	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)NNc1ncccc1C(F)(F)F	895265824	AAUYVWFZHFCOGL-SECBINFHSA-N	316.283	1.554	50	20	DDGD	
N#CC1=CCN(C(=O)Cn2nc(-c3ccccc3)oc2=O)CC1	780687766	KPZXAOFUNNKQIV-UHFFFAOYSA-N	310.313	1.186	50	20	DDGD	
Cc1nn[nH]c1C(=O)NNc1ccc(OCC(F)(F)F)cc1	790000636	HZUAVKCOJMVDBB-UHFFFAOYSA-N	315.255	1.811	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1cccc(N2CCC2=O)c1	790579783	LNFKWXQDRQERBJ-UHFFFAOYSA-N	316.361	1.766	50	20	DDGD	
CC[C@@H](O)[C@H](C)C(=O)NNC(=O)COc1ccc(C)c(C)c1	899940397	MFIOPKIHOBCVHN-GXTWGEPZSA-N	308.378	1.237	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)N=c1cc[nH]cc1)c1cccs1	795002410	MDBZMRWLHUYSPV-VIFPVBQESA-N	321.431	1.827	50	20	DDGD	
CC(=NNC(=O)Cn1nc(C)cc1C)c1ccc2n[nH]cc2c1	794879319	WHHSRSUZLRXISF-UHFFFAOYSA-N	310.361	1.917	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)COc1cccnc1	798312997	PTRRZWWJSPTYQK-UHFFFAOYSA-N	300.318	1.622	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2nc3c(s2)CCC3)n1	794752759	WILWYKMRKMHWAB-UHFFFAOYSA-N	317.374	1.802	50	20	DDGD	
N#CCOc1cccc(CNC(=O)NNc2cccc(F)n2)c1	1323277167	LPKRCPDZKDNVRI-UHFFFAOYSA-N	315.308	1.949	50	20	DDGD	
COCC(C)(C)CNC(=O)NNC(=O)c1ccc(OC)cc1	1324088485	OHLHLFQRCOLAHM-UHFFFAOYSA-N	309.366	1.312	50	20	DDGD	
CC(=O)N[C@H](C)C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	1324509194	NEEHMDGJGHWGAO-ZCFIWIBFSA-N	300.702	1.216	50	20	DDGD	
COc1c(C(=O)NN=c2cc[nH]cc2)cnn1-c1ccccc1	1325692825	DYLHKNODQVFIRV-UHFFFAOYSA-N	309.329	1.455	50	20	DDGD	
CCc1cc(C(=O)NNc2nccnc2C2CCC2)nn1C	1327046197	USRNBIZLKAHLCI-UHFFFAOYSA-N	300.366	1.797	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCC1CCC(C)(C)CC1	1326753820	YSSCDHDUQSVVTB-AAEUAGOBSA-N	311.426	1.958	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNc1cncc(Br)c1	1322990231	IBJMBVHYMVDRDX-UHFFFAOYSA-N	323.150	1.509	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=C1CCOc2ccc(F)cc21	1256371351	YUNWTFJDFMSSRL-UHFFFAOYSA-O	300.313	1.416	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)C1CCOCC1)O[C@@H](C)C2	1336995609	RNPAAFKXAHBXEV-NSHDSACASA-N	318.373	1.895	50	20	DDGD	
CO[C@H]1CCC[C@@H]1C(=O)NNc1ccc(C(F)(F)F)nn1	1337149121	XCNZMFZXNLCREI-YUMQZZPRSA-N	304.272	1.754	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(-c2c(F)cccc2F)no1	1347685804	WBHBYXLJVWIADF-QMMMGPOBSA-N	311.288	1.577	50	20	DDGD	
CNC(=S)N(C)NC(=O)C(F)(F)c1ccc(Cl)cc1	1334440213	IKWGVWWZTOWWCJ-UHFFFAOYSA-N	307.753	1.899	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@]2(C)CCOC2)c1	1330312764	NGHSCMQEILGNJB-HNNXBMFYSA-N	303.387	1.412	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cccc(F)c1Br	1332629153	DYWWRXHFWCZWFE-ZETCQYMHSA-N	305.147	1.546	50	20	DDGD	
C[C@H]1CCc2ccccc2[C@@H]1NC(=O)NNC(=O)c1cn[nH]c1	1332649048	AKONMGWTLGQKRS-IINYFYTJSA-N	313.361	1.677	50	20	DDGD	
C=C(C)CCC(=O)NNc1c(OC)cccc1S(C)(=O)=O	1337224276	ZTRAGWFLWVNLJU-UHFFFAOYSA-N	312.391	1.898	50	20	DDGD	
CCCc1noc(CCCC(=O)NNC(=S)NC(C)C)n1	1251137004	KSCOOYBXTXRQQM-UHFFFAOYSA-N	313.427	1.249	50	20	DDGD	
CC(=NNC(=O)C1CCOCC1)[C@H](C)NC(=O)OC(C)(C)C	1331993893	IUULAGRDPHSDDN-JTQLQIEISA-N	313.398	1.818	50	20	DDGD	
C[C@@]1(COC(=O)CCCS(C)(=O)=O)C[C@@H]1Br	1263537560	TXUXWOFGARDRCL-WPRPVWTQSA-N	313.213	1.528	50	20	DDGD	
CN(C)C[C@]1(O)CCN(C(=O)[C@H](Br)C(C)(C)C)C1	1263878864	GMFXQZSYUVNAMD-GXFFZTMASA-N	321.259	1.321	50	20	DDGD	
CC[C@H](C)n1nccc1C(=O)NNC(=O)c1ccc(Cl)nc1	1520799879	IDTVJRPOOQWVEH-VIFPVBQESA-N	321.768	1.977	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C2CCCC2)ncc1C(=O)O	1600270679	LBCAUZUXZRKPLE-UHFFFAOYSA-N	306.322	1.431	50	20	DDGD	
CC1(C)OC[C@H]2C[C@@]21C(=O)NNc1ccc(C(=O)O)c(F)c1	1604561073	YVMMICSHXKZGCZ-GLEZIHRCSA-N	308.309	1.782	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)c1nc[nH]c1C(F)(F)F	1602472840	LBUCMASTCBOGFU-UHFFFAOYSA-N	314.223	1.884	50	20	DDGD	
O=C(N[C@H](Cc1ccncc1)C(=O)O)C1CCC(Cl)CC1	1601424337	XCCRYSFFIQSNIF-WXRRBKDZSA-N	310.781	1.991	50	20	DDGD	
O=C(NNC(=O)c1cc(C(=O)O)no1)Nc1ccc(Cl)cc1	1601555221	SOXRBLWHMBTNOZ-UHFFFAOYSA-N	324.680	1.493	50	20	DDGD	
O=C(O)[C@@H](NS(=O)(=O)CCl)c1ccc(Cl)c(F)c1	1608552141	CIDALEVRLZTWDP-QMMMGPOBSA-N	316.137	1.721	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)Cc2c[nH]c3cnccc23)cc1	1608780706	DHLCFCAGYCDVAQ-UHFFFAOYSA-N	324.340	1.876	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2cccc3nccn23)cc1	1602128962	IKDPTAAVXKMHRK-UHFFFAOYSA-N	310.313	1.718	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccoc1Cl	1609559360	ZRBWUEGKUNFHJW-UHFFFAOYSA-N	304.697	1.870	50	20	DDGD	
Cc1ccccc1NNC(=O)C(=O)Nc1sccc1C(=O)O	1600584688	YPKRSBDSAHTDPD-UHFFFAOYSA-N	319.342	1.837	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1ccccc1C(=O)O	1605815882	WPQUDZXGDQXPKH-UHFFFAOYSA-N	300.274	1.246	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=C2CC(CC(=O)O)C2)n1	1610457644	QJFUEHKBYRMVMU-UHFFFAOYSA-N	322.390	1.542	50	20	DDGD	
COc1sc(C=NNC(=O)C(=O)O)cc1Br	1610373233	RMFLNVOAQJJOTN-UHFFFAOYSA-N	307.125	1.054	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1cccs1	1549317598	WWGINMLFLIWXMJ-DGCLKSJQSA-N	307.419	1.842	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@@H]1C=NNC(=O)c1cccnc1	1552757339	CTDDKIUNQGJNAK-TZMCWYRMSA-N	313.361	1.791	50	20	DDGD	
CNC1CC(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)C1	1578594897	GLIYRGISVFSZSS-UHFFFAOYSA-N	314.345	1.101	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@@]2(C)CCNC2)cc1	1574156772	QXQHASQAFZVTAY-HNNXBMFYSA-N	307.419	1.234	50	20	DDGD	
C[C@H](N)c1nc(C(=O)NNc2cccc([N+](=O)[O-])c2)cs1	1576176515	XWJWWLXICCWEDC-ZETCQYMHSA-N	307.335	1.828	50	20	DDGD	
CC(C)c1ccccc1NC(=S)NNC(=O)CC1(N)COC1	1575864699	YFZQDUSTPKMLOL-UHFFFAOYSA-N	322.434	1.245	50	20	DDGD	
Cn1c(=NNC(=O)C[C@@H]2CCC[C@H]2N)sc2ccccc21	1579940254	XAVYPMFYYZYEKW-WDEREUQCSA-N	304.419	1.689	50	20	DDGD	
CC1(C)C(C)(C)C1(C(=O)O)C(=O)NNC(=O)[C@H]1CCCS1	1589205304	HCZMHVGOFAQXFG-MRVPVSSYSA-N	314.407	1.166	50	20	DDGD	
C[C@@H](Br)C(=O)N1CC2(CCCN2C(=O)C2CC2)C1	1846761452	JKGRINBBGVSJJU-SECBINFHSA-N	315.211	1.383	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](C)CN)C2	1841667356	GZPCPDPWHPUGGV-RYUDHWBXSA-N	315.845	1.192	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2cccc(C(=O)O)c2F)CCC1=O	1594203793	PZCQGGRKOYKGCF-IUCAKERBSA-N	308.309	1.972	50	20	DDGD	
CC[C@H](C)C(=O)NN=Cc1c(C)cc(-c2nn[nH]n2)cc1C	1590393924	NEHHLQAMFBAZPD-VIFPVBQESA-N	300.366	1.980	50	20	DDGD	
CC(C[C@H]1CCCN1C(=O)OC(C)(C)C)=NNC(=O)C(=O)O	1592464100	LMBSLNNQLGMGBT-SNVBAGLBSA-N	313.354	1.353	50	20	DDGD	
COc1cc(NNC(=O)Cn2cc(C(=O)O)cn2)ccc1Cl	1599445074	YPTCDKSLMSUYLA-UHFFFAOYSA-N	324.724	1.387	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C[C@@H](C)CC(=O)O)cc1	1598871993	NNEYABXLQBQXFI-SNVBAGLBSA-N	308.334	1.346	50	20	DDGD	
O=C(O)COc1cccc(C(=O)NNc2ccc(Cl)nn2)c1	1595122398	DKZFTFHKHZVCIB-UHFFFAOYSA-N	322.708	1.350	50	20	DDGD	
Cn1nc(C2CC2)cc1C=NNC(=O)c1cccc(C(=O)O)c1	1776096170	OCIASWNMQPHZLD-UHFFFAOYSA-N	312.329	1.760	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Cc1ccc2ccccc2c1)N(C)C	151437204	QEAFCSSRGXGJKP-MRXNPFEDSA-N	313.401	1.870	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2cccc([N+](=O)[O-])c2)CCC1	152709619	IYDJDWZFCIOXCR-UHFFFAOYSA-N	307.306	1.771	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNc2ncccc2[N+](=O)[O-])cn1	153570439	IQXCOBGUXXRJCU-UHFFFAOYSA-N	304.310	1.698	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@@H](C)c2nccs2)nc1	157702383	RQGYBVVYWIAONH-SECBINFHSA-N	307.379	1.977	50	20	DDGD	
N#Cc1ccc(NNC(=O)COc2ccc(C(N)=O)cc2)cc1	155328750	ATPKGIOEEKFHEV-UHFFFAOYSA-N	310.313	1.179	50	20	DDGD	
C[C@H]1CCC[C@@H](CC(=O)NNC(=O)CNC(=O)c2ccco2)C1	156824607	GYQJFGQIIFGFIG-NWDGAFQWSA-N	321.377	1.373	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H](CC)N2CCCC2=O)cc1	154976968	PEGZTIFUGYAFAX-AWEZNQCLSA-N	317.389	1.411	50	20	DDGD	
CCc1cnoc1C(=O)NCCSSCCC(=O)O	2088599453	WPADWXWEWJPOKU-UHFFFAOYSA-N	304.393	1.823	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc[nH]1	6990970	SOOUSAPFLAHRKT-UHFFFAOYSA-N	308.681	1.651	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)Cc1cccnc1	103513103	VEWWQAOVTGOPED-KGLIPLIRSA-N	304.394	1.923	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)Cc1cc[nH]n1	106417432	MCOHBAXTGNJNPL-VIFPVBQESA-N	322.752	1.221	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1cscn1	103065752	RBJLTOVDYWNQDV-UHFFFAOYSA-N	311.750	1.880	50	20	DDGD	
CCOC(=O)NNC(=O)CCc1c(C)nc2cc(C)nn2c1C	21772138	RFRFYJNQWUIINM-UHFFFAOYSA-N	319.365	1.364	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cn(C)nc1C)c1ccccc1	113054528	ZDBTZJAHOLCALG-CYBMUJFWSA-N	300.362	1.683	50	20	DDGD	
CN(CC(F)F)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	113393556	JCMOJJFTURFASH-UHFFFAOYSA-N	323.303	1.424	50	20	DDGD	
CNC(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1	56376876	FQMPDSOLTGBHKX-ZCFIWIBFSA-N	306.149	1.721	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(OC(F)F)cc1	110760610	XUZCTSJSIBLCQM-UHFFFAOYSA-N	310.260	1.394	50	20	DDGD	
Cc1ccc2c(CC(=O)NNC(=O)c3cnn(C)c3)coc2c1	117678907	BPKSYYCCHYKSGZ-UHFFFAOYSA-N	312.329	1.478	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CC[C@H]1CCCCO1	110244233	QVSQBJBPUNAVIH-CQSZACIVSA-N	320.389	1.734	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCCC1=CCCCC1	170888154	LZCKGJVEESIVKT-UHFFFAOYSA-N	302.378	1.845	50	20	DDGD	
O=C(CCc1nc2ccccc2[nH]1)NNC(=O)c1ccccc1O	24154072	INDRAMQJLSJWLV-UHFFFAOYSA-N	324.340	1.662	50	20	DDGD	
C=CCCCC(=O)NNC(=O)C1CCN(c2ncccn2)CC1	175570923	CLSBACXWICKTNG-UHFFFAOYSA-N	317.393	1.197	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)CCn2cccn2)cc1	119953557	ZEKKJHWICSHNMF-UHFFFAOYSA-N	318.402	1.521	50	20	DDGD	
O=C(NCC(=O)N1CCCCC1)NNc1c(F)cccc1F	118568840	OWFPFTFGJFHKMG-UHFFFAOYSA-N	312.320	1.603	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccncc2Cl)cc1	174195961	IQZQJVVPFYXSOH-UHFFFAOYSA-N	319.748	1.883	50	20	DDGD	
C[C@@H]1CCC[C@H](NC(=O)NNC(=O)Cc2ccncc2)[C@@H]1C	176137871	JBHIIJPUPDDVOA-BZPMIXESSA-N	304.394	1.779	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cc2ccccc2o1	177750946	BOOOZHBFFSQDLE-VHSXEESVSA-N	302.286	1.003	50	20	DDGD	
CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NNC(=O)C1CC1	22882160	WRLOWYCITHWAJY-LLVKDONJSA-N	309.391	1.060	50	20	DDGD	
CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)CCCCCl)C1	249089078	UUVIEPXHTWAUGR-STQMWFEESA-N	308.875	1.751	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cccc(-n3cccc3)c2)cn1	117678801	JEDFUJYFACBJKR-UHFFFAOYSA-N	309.329	1.286	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)NC2CC2)cc1OCC	64428969	IOQZKZSTERTTES-UHFFFAOYSA-N	307.350	1.590	50	20	DDGD	
COCCCNC(=O)NNC(=O)C1(c2ccc(F)cc2)CCC1	65206161	OXCWGAFPNZKQNG-UHFFFAOYSA-N	323.368	1.614	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cnn(CCC(C)C)c2C)[nH]n1	124167370	WWCYOINXJXJOFE-UHFFFAOYSA-N	318.381	1.344	50	20	DDGD	
COc1ncnc(OC)c1C(=O)NNc1cc(C)cc(C)c1	178982098	JUTLVRNVGHURJE-UHFFFAOYSA-N	302.334	1.868	50	20	DDGD	
O=C(NC/C=C/C1CC1)NNC(=O)[C@H]1COc2ccccc2O1	1261284560	ARGRGYOSWCHILN-RDFMZFSFSA-N	317.345	1.123	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)c2ccncc2)c1	172910720	NKWKISKUZCCLDM-UHFFFAOYSA-N	300.274	1.373	50	20	DDGD	
CC(=O)N(CCC(=O)NNc1ccncc1)Cc1ccccc1	180477063	LOTLHHDYPPHGQY-UHFFFAOYSA-N	312.373	1.964	50	20	DDGD	
O=C1CCc2cc(C(=O)NNc3ccnc(F)c3)ccc2N1	182516388	AHBHSCYVBUCHIX-UHFFFAOYSA-N	300.293	1.862	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cc(F)ccc2C)o1	129684140	ZFDGGXDYIVXXFB-UHFFFAOYSA-N	319.292	1.435	50	20	DDGD	
O=C(NNc1ccc(F)cc1)[C@@H]1CC(=O)N(CC(F)(F)F)C1	78472953	JUWUZVFSKDKFSN-MRVPVSSYSA-N	319.258	1.680	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)c2cccn2C)cc(O)n1	121227896	OUHAQUMLCZMKIF-UHFFFAOYSA-N	302.334	1.324	50	20	DDGD	
CCOCC(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	127038207	DJJFCYMNNLMOEH-UHFFFAOYSA-N	308.306	1.163	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)c1c(Cl)cccc1Cl	78541049	YODZUPNRFZCZPY-UHFFFAOYSA-N	318.160	1.279	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)CC2(O)CCCCC2)c1	74170043	QMJDALVMXUHPDW-UHFFFAOYSA-N	319.405	1.599	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](CC(C)(C)C)C(F)(F)F	184656239	DDABUGAYRCYGCU-MRVPVSSYSA-N	313.320	1.720	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@@H]1CCCc2sccc21	136596233	SZZVPTFUQZOGPT-MNOVXSKESA-N	309.391	1.635	50	20	DDGD	
CC(=O)N[C@@H](C)C(=O)NNC(=O)Cc1ccc2ccccc2c1	77230300	NSERBOZOQXDEPX-NSHDSACASA-N	313.357	1.054	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)c1cccc(O)c1O	193137980	HGLJRBNFTCZVMD-UHFFFAOYSA-N	302.315	1.859	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2cc(C#N)cs2)c1	84060301	SVOZNPPBYZGLPG-UHFFFAOYSA-N	314.370	1.761	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)CCc1cscn1	195348155	NMNHRYIDEMTVHC-UHFFFAOYSA-N	303.387	1.856	50	20	DDGD	
Cc1ccccc1-n1ncc(C(=O)NNC(=O)CO)c1C(C)C	191223772	SJUXNOUOBJUNLN-UHFFFAOYSA-N	316.361	1.057	50	20	DDGD	
COc1ccc(CC(=O)NNc2nc3ccccc3c(=O)[nH]2)cc1	137150996	XQUZANDQKQFXFI-UHFFFAOYSA-N	324.340	1.618	50	20	DDGD	
O=C(CCCNC(=O)NC1CCCCC1)NNc1ncccn1	44717067	FVKWSQGXKWTZFO-UHFFFAOYSA-N	320.397	1.332	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)Cn3cccn3)[nH]n2)cc1	193623123	QTSDOYHMVAOXQR-UHFFFAOYSA-N	324.344	1.043	50	20	DDGD	
Cc1noc2nc(C(C)C)cc(C(=O)NNC(=O)N(C)C)c12	194925203	OVLBWGXXHRARFI-UHFFFAOYSA-N	305.338	1.571	50	20	DDGD	
CCNC(=O)NC1(C(=O)NNc2nc(C)cc(C)n2)CCCC1	194088216	JHYRMUIGMQSWRS-UHFFFAOYSA-N	320.397	1.168	50	20	DDGD	
CN(C)[C@H](C(=O)NNC(=O)c1ccc(C#N)cc1)c1ccccc1	194532096	ORFMFPVARKIZRT-INIZCTEOSA-N	322.368	1.622	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NC[C@H]1CCCCO1	140080401	LLSTVOBTFUMCCO-GFCCVEGCSA-N	306.366	1.900	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccc(C#N)cc1)N(CC)CC	266818557	HLPHCSAMZKUVMM-CQSZACIVSA-N	302.378	1.440	50	20	DDGD	
CC(C)COC(=O)N1CCC(C(=O)NNc2cnccn2)CC1	265205649	UQFXMCOCTJIVLC-UHFFFAOYSA-N	321.381	1.424	50	20	DDGD	
CCOC(=O)N1CCC[C@H](C(=O)NNc2cc(C)nc(C)n2)C1	265523282	JEUYPXCYJGBZBY-LBPRGKRZSA-N	321.381	1.405	50	20	DDGD	
CC(C)c1[nH]nc(C(=O)NNC(=O)NC2CCCC2)c1[N+](=O)[O-]	269484607	WOLWCTHLKZSEQF-UHFFFAOYSA-N	324.341	1.328	50	20	DDGD	
CCN1CCOC[C@@H]1C(=O)NNc1ccc2ccccc2n1	367608846	SIRVWZDVJLYWMK-CQSZACIVSA-N	300.362	1.399	50	20	DDGD	
CCCC(=O)N1CCC[C@@H]1C(=O)NNc1nc(C)cc(OC)n1	266923997	LVQBWUVEGWQESY-LLVKDONJSA-N	321.381	1.028	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=S)Nc1ccc(OC)nc1	269487941	NNZNULQFESYCKG-VIFPVBQESA-N	314.436	1.549	50	20	DDGD	
O=C(NNc1ccccn1)[C@H]1CCS(=O)(=O)c2ccccc21	367689498	SEIQIIRNAWQXJA-LBPRGKRZSA-N	317.370	1.486	50	20	DDGD	
COc1ccc(COCCCC(=O)NNC(=O)NC(C)C)cc1	270454840	ORGYAGWFDRASPV-UHFFFAOYSA-N	323.393	1.731	50	20	DDGD	
CCOc1cc(NC(=O)C(=O)NNC(=O)C(C)(C)C)ccc1C	273645383	DJWPEBMKQKEGGZ-UHFFFAOYSA-N	321.377	1.526	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCC(=O)c1ccc2c(c1)CCC2	271454966	VOLOQXWOQPGZLK-UHFFFAOYSA-N	317.389	1.831	50	20	DDGD	
CC(=O)CSCC(=O)NNC(=O)COc1cc(C)cc(C)c1	279757436	QTSNZFKNKSNPLU-UHFFFAOYSA-N	324.402	1.152	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@H](CC)c1ccccc1)C(=O)OC	277334254	VRTZUHBWPNRBDU-OLZOCXBDSA-N	306.362	1.527	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)[C@H]1CCCN1C1CC1	278720671	OVTKYSRAWBNVRD-CQSZACIVSA-N	317.389	1.099	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	367955594	JQWGBSAVCOHYCY-SGMGOOAPSA-N	303.362	1.963	50	20	DDGD	
Cc1n[nH]cc1CNC(=O)NNC(=O)CCCc1ccccc1	274380248	MRAHXMVAOQANNY-UHFFFAOYSA-N	315.377	1.571	50	20	DDGD	
Cc1nnc([C@H](C)NC(=O)NNc2ccc(Cl)nn2)s1	273641319	HKUZBTHIRSSEGA-YFKPBYRVSA-N	313.774	1.677	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H]1CCN(c2ccccc2F)C1	289506190	LFELCXYOSNYYRV-GFCCVEGCSA-N	307.369	1.846	50	20	DDGD	
NC(=O)CCCC(=O)NNc1ccccc1OC(F)(F)F	280407216	YYIWMLQFXPCXSX-UHFFFAOYSA-N	305.256	1.684	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1O[C@H](C)C[C@@H]1C	282521208	LAKQSNYOPUESJF-MIJXAVMKSA-N	324.352	1.554	50	20	DDGD	
COCCN(C)NC(=O)c1c(F)cccc1Br	288414819	LVAADRHGMFPVNP-UHFFFAOYSA-N	305.147	1.811	50	20	DDGD	
COCCc1noc(CN(C)C(=O)NCCSSC)n1	283801355	AZIIGXYOGIPZGM-UHFFFAOYSA-N	320.440	1.411	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)NCC(F)(F)F)nn1C	281307030	RVTXUUYEFSJYSQ-UHFFFAOYSA-N	307.276	1.050	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)CN(CC)CC)cc1C	291229363	NYTRNNZBESIZRK-UHFFFAOYSA-N	307.394	1.957	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(OC(C)(C)C)cn2)[nH]n1	293046881	OWNZDKPTYRJIQM-UHFFFAOYSA-N	317.349	1.365	50	20	DDGD	
O=C(CCn1cccc1)NNC(=O)Nc1ccc2c(c1)OCO2	802096272	KILVEXFXOBELMV-UHFFFAOYSA-N	316.317	1.460	50	20	DDGD	
COc1ccc2[nH]c(C(=O)NNC(=O)[C@@H]3CCCO3)cc2c1	294631415	LILRPKACQURGLL-ZDUSSCGKSA-N	303.318	1.117	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H]2CSC[C@@H]2C)cc1	805789727	JXNFJAODTNLGAC-GXFFZTMASA-N	307.419	1.945	50	20	DDGD	
COCCN(C)NC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C(C)C	808075382	XIRNUTOWTURHEV-HNNXBMFYSA-N	321.421	1.359	50	20	DDGD	
C[C@H](C(=O)NNc1nc2ccccc2[nH]1)N(C)CC(F)(F)F	807173766	OEHUDESTIMILSH-MRVPVSSYSA-N	315.299	1.889	50	20	DDGD	
CC(C)n1cccc1C(=O)NNc1ccc(-n2ccnc2)nn1	804957795	BHUSOEYSTVBFSY-UHFFFAOYSA-N	311.349	1.802	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cccc(F)c1Br	295046792	YTKWWMQRISOMQY-UHFFFAOYSA-N	319.130	1.120	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)[C@H]2CCCCO2)cc1	296036893	AAROINKXQFGWSU-CYBMUJFWSA-N	307.350	1.807	50	20	DDGD	
CC[C@@H](Oc1ccccc1C)C(=O)NNC(=O)[C@@H]1CCCCO1	295350933	IPZLLZMLDZGJQP-HIFRSBDPSA-N	320.389	1.869	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCCOCCOC)cc1	297488622	AOFHAEUMUUOYLG-UHFFFAOYSA-N	311.382	1.765	50	20	DDGD	
COc1ccnc(NNC(=O)c2cnc(C(C)(C)C)nc2)n1	806438296	ZGKODUAJGJPGOY-UHFFFAOYSA-N	302.338	1.330	50	20	DDGD	
O=C(C#Cc1ccc2c(c1)OCO2)NNC(=O)Nc1ccccc1	801985016	SRFKGBZDAADVQB-UHFFFAOYSA-N	323.308	1.620	50	20	DDGD	
CCn1nncc1C(=O)NNC(=O)c1cccc2ccccc12	815683051	WHHQBUSEJGLXMZ-UHFFFAOYSA-N	309.329	1.526	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc2c(c1)C(C)(C)CO2	810363756	BYNJAGDERWYADP-UHFFFAOYSA-N	314.345	1.463	50	20	DDGD	
Cc1cc(NNC(=O)c2cn(C)nc2C2CCC2)nc(C)n1	819883472	XZVSKVSREZDNIH-UHFFFAOYSA-N	300.366	1.851	50	20	DDGD	
NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ccccc1C(F)(F)F	816843815	CTUMJQPBLFDNTA-SFYZADRCSA-N	301.268	1.660	50	20	DDGD	
O=C(NNc1ncncc1F)C(=O)Nc1ccccc1Cl	815765040	DDLVXDKTUXZFDB-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2n[nH]cc2C)n1	814709020	QGLDWQDLEHYDEO-UHFFFAOYSA-N	304.379	1.367	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CCc1ccon1	816817467	CGPFALPHQXBUDJ-SNVBAGLBSA-N	321.308	1.361	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1n[nH]cc1[N+](=O)[O-]	819706006	LZIMZZNCMVVHME-UHFFFAOYSA-N	323.240	1.001	50	20	DDGD	
Cc1ccccc1C(=O)NN=Cc1ccc(S(N)(=O)=O)cc1	811635079	LHKRRXBKONTKAD-UHFFFAOYSA-N	317.370	1.406	50	20	DDGD	
CC(C)C(=O)NNC(=O)NC[C@@H]1CCN(c2ccccc2F)C1	812922485	KDQHBQFAMQRKNN-LBPRGKRZSA-N	322.384	1.638	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)COc2ccccc2O)cn1	814953613	QWPQCUMEAYMUDF-UHFFFAOYSA-N	302.334	1.699	50	20	DDGD	
O=C(NNc1ncccn1)[C@@H]1CCO[C@H](c2ccccc2)O1	816849392	YAOJCVHCNFIIAT-JSGCOSHPSA-N	300.318	1.424	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1ccc2nnc(S)n2c1	817007164	OWFLVKCHLPACQC-UHFFFAOYSA-N	320.765	1.823	50	20	DDGD	
Cc1nn(C)c2cc(NC(=O)NNC(=O)c3ccncc3)ccc12	812990655	URABEIZPCRDLOW-UHFFFAOYSA-N	324.344	1.743	50	20	DDGD	
CO[C@H](C)CCNC(=O)NNC(=O)c1cc2c(s1)CCC2	726714791	WTBLUTZMGOTWRU-SECBINFHSA-N	311.407	1.606	50	20	DDGD	
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)NN(C)C1CC1	824225992	SENJMPKRRGQWPV-UHFFFAOYSA-N	320.393	1.918	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1ccc(F)cc1O	727777666	QPPCCHZXDCFKCD-NSHDSACASA-N	323.368	1.340	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1Cl	823475191	OOCNIMVEGJLGPP-ZYHUDNBSSA-N	310.781	1.763	50	20	DDGD	
N#Cc1ccc(CC(=O)NNc2nc(-c3cccnc3)no2)cc1	728074531	GRLYTFJTLONUDL-UHFFFAOYSA-N	320.312	1.689	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCc2n[nH]cc21	826446645	SQZMURREAQDAMP-NSHDSACASA-N	324.348	1.153	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)ccc1C(=O)NNc1ccc(C#N)cc1	826249548	IGPSMWMECJWXDC-UHFFFAOYSA-N	319.328	1.804	50	20	DDGD	
O=C(NNC(=O)c1ncnc2ccsc12)NC1CCCC1	824342681	MSXCRUUTCLZMKW-UHFFFAOYSA-N	305.363	1.578	50	20	DDGD	
Cc1ccccc1CCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	825558938	VBYKXDBGKLRPBZ-OCCSQVGLSA-N	305.378	1.293	50	20	DDGD	
O=C(Cc1ccsc1)NNc1nc(-c2cccnc2)no1	728079523	WQKAEPQQAVGUPW-UHFFFAOYSA-N	301.331	1.879	50	20	DDGD	
O=C(CCC(F)(F)F)NNc1ccc(-c2nn[nH]n2)cc1	826405677	PFKPPNCYXKJDLE-UHFFFAOYSA-N	300.244	1.652	50	20	DDGD	
COC(=O)[C@H]1C[C@H](NC(=O)NNc2cccc([N+](=O)[O-])c2C)C1	824177586	SHAMQCWEOBDZAF-MGCOHNPYSA-N	322.321	1.481	50	20	DDGD	
CC1(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)CCOCC1	726767206	IIEQRPZSSXOWGH-UHFFFAOYSA-N	315.373	1.675	50	20	DDGD	
CC(C)Cn1ncc(C(=O)N2CC[C@@H](B(O)O)C2)c1C(F)F	585064598	IBGBHMCZYRXOAS-SECBINFHSA-N	315.129	1.166	50	20	DDGD	
CN(NC(=O)c1cccc2nc(O)[nH]c12)C(=O)OC(C)(C)C	496871382	AFYKBHQIYQYXIY-UHFFFAOYSA-N	306.322	1.780	50	20	DDGD	
Cc1cc(N2CC[C@H](B(O)O)C2)n2c(nc3ccccc32)c1C#N	585072357	ADEZEIHTZBOUSN-LBPRGKRZSA-N	320.161	1.721	50	20	DDGD	
COc1ccnc(NNC(=O)C[C@@H](CNC(C)=O)CC(C)C)n1	822457769	NVKZMFISHWEWNG-LBPRGKRZSA-N	323.397	1.117	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCCNC(=O)OC)cc1	491173757	FJJXGEFVZKCCMU-JLHYYAGUSA-N	317.345	1.464	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)CC2CCCC2)c2c1CCCC2	825669970	FKBFFSJKEUKWMH-UHFFFAOYSA-N	304.394	1.640	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)c1cccc(CN2CCCC2)c1	584911804	YYIHMUSPDSLANC-UHFFFAOYSA-N	324.189	1.215	50	20	DDGD	
CC(C)CO[C@@H]1CCN(C(=O)/C(C#N)=C/c2cnn(C)c2)C1	491109195	ZMFAJKPJBHSJDS-SXSSENBOSA-N	302.378	1.601	50	20	DDGD	
CCOC(=O)[C@@H]1CCCCN1C(=O)/C(C#N)=C/c1cnn(C)c1	491010096	LHBXOWVHDISVAH-CZAWJFPGSA-N	316.361	1.271	50	20	DDGD	
CC[C@@](C)(NC(=O)c1ccc(B(O)O)c(F)c1)c1nccs1	584950367	LQFMILMNAPACMG-CQSZACIVSA-N	322.170	1.017	50	20	DDGD	
COC(=O)N(C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21	495762759	PICFNFCEWOMPDB-UHFFFAOYSA-N	306.278	1.279	50	20	DDGD	
COC(=O)c1cc(NC(=O)NN(C)C2CC2)c(OC)c(OC)c1	824205059	GGHQSKOOERGKGF-UHFFFAOYSA-N	323.349	1.621	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)c1	905101453	OIIHLPXNEXYWSN-UHOFOFEASA-N	316.357	1.055	50	20	DDGD	
CCOC(=O)C[C@H](C)CNC(=O)[C@@]1(C)C[C@H]1Br	907160136	UNCXMSOUHWGECZ-SBMIAAHKSA-N	306.200	1.865	50	20	DDGD	
C[C@H]1CC(=NNC(=O)NCCNC(=O)OC(C)(C)C)[C@H](C)O1	496200056	LVARWXIZBMMEIK-UWVGGRQHSA-N	314.386	1.364	50	20	DDGD	
CC[C@@H](O)[C@H](C)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	908054069	TXUMOKCQGLVGFP-GXFFZTMASA-N	308.382	1.312	50	20	DDGD	
CCC[C@H](CC(C)C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1	823757152	HXFUVKUTFXUTFR-VXGBXAGGSA-N	318.439	1.031	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	490578295	CSYRPPXJZNRTJK-UHFFFAOYSA-N	319.277	1.171	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)/C=C\[C@@H]2CCOC2)cc1	493444258	BFYOVGPPNBQFKW-VYLZPFMQSA-N	318.373	1.368	50	20	DDGD	
O=C(Cc1ccc(-c2nn[nH]n2)cc1)NNc1ccccc1F	826422033	KBMWTLHDQWBVCJ-UHFFFAOYSA-N	312.308	1.692	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)[C@@H]1CCCN1C(=O)OC(C)(C)C	497008474	OSMWTMFBRKVMBC-NSHDSACASA-N	313.398	1.649	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC[C@H](c2ccccc2C)C1	732198786	FDTVKVYPNWIIFA-KGLIPLIRSA-N	303.406	1.730	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)c2cccc(OC(F)F)c2)[nH]1	732285791	HYTVJTFJMAPUBJ-UHFFFAOYSA-N	310.260	1.394	50	20	DDGD	
O=C(NC[C@@H](c1ccccc1)C1CC1)c1cccc(B(O)O)c1	584991947	GOITZKZWHCYOMR-KRWDZBQOSA-N	309.174	1.290	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1CNC(=O)c1cc(B(O)O)ccc1F	584995117	IZJRQELNMNRIEN-NWDGAFQWSA-N	307.174	1.452	50	20	DDGD	
CCOc1cc(/C=C/C(=O)N2CC[C@H](B(O)O)C2)ccc1OC	585073264	BLDIKUCHQZMABP-IYNGYCSASA-N	319.166	1.182	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(NC(=O)OC)c(F)c1	495240117	XCPNRMBKRXJRPX-UHFFFAOYSA-N	314.273	1.787	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1)c1ccccc1O	833149170	HDHMNVOSXHBHKX-NXEZZACHSA-N	306.318	1.044	50	20	DDGD	
COC(=O)NNC(=O)c1cnn(-c2ccccc2OC)c1C	492173600	PRUQNZHYQLBTCB-UHFFFAOYSA-N	304.306	1.190	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1scnc1C1CC1	831588639	HGWWVEZLGRKBOQ-APPZFPTMSA-N	310.379	1.598	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)N=c1cc[nH]cc1	836242831	PYIWEAZSOFVPFE-YPMHNXCESA-N	305.382	1.808	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2ncnc3ccsc23)nc1	833311618	WOQCQJVHLSZLQE-UHFFFAOYSA-N	315.314	1.541	50	20	DDGD	
CN1CCN(S(=O)(=O)CCl)C[C@H]1Cc1ccccc1	831425593	IAWORRRXXGIGCJ-CYBMUJFWSA-N	302.827	1.371	50	20	DDGD	
Cc1ccc(C)c(C(=O)CCC(=O)N2CC[C@H](B(O)O)C2)c1	585075647	TUBLOBFJGYLYJH-ZDUSSCGKSA-N	303.167	1.342	50	20	DDGD	
CCc1cccc2c1OCC[C@H]2NCc1ccc(B(O)O)o1	585021713	CFJSFIODRNHLTN-CQSZACIVSA-N	301.151	1.135	50	20	DDGD	
Cc1cc(C)c2c(c1)[C@H](NCc1cccc(B(O)O)c1)CCO2	585020690	GCMOTKAVJMQTPN-QGZVFWFLSA-N	311.190	1.597	50	20	DDGD	
CCc1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cc1CC	585057880	NCEZNAAUCWIPOU-CYBMUJFWSA-N	311.212	1.049	50	20	DDGD	
C[C@]1(C(=O)N2CCC[C@H](CNC(N)=O)C2)C[C@H]1Br	906233198	ZQEZQISSCDZYPS-LNLATYFQSA-N	318.215	1.067	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cnc2c(c1)CCCC2	831625929	LLBRJIAYVPEXQQ-ZWNOBZJWSA-N	318.377	1.538	50	20	DDGD	
CC(C)n1cc(CNC(=O)[C@]2(C)C[C@@H]2Br)nn1	908331842	GDFHRVRKWOADGU-GXSJLCMTSA-N	301.188	1.649	50	20	DDGD	
O=C(NN[C@@H](C(=O)O)c1cccc(Cl)c1)c1ccccn1	739454046	OFRABXFBZKRJHR-GFCCVEGCSA-N	305.721	1.795	50	20	DDGD	
O=C(N[C@@H](C1CCCC1)C(F)(F)F)c1cccc(B(O)O)c1	584959677	CVSXADAXYJLGPA-LBPRGKRZSA-N	315.100	1.217	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1CNC(=O)NNC(=O)Cc1ccc(F)cc1	836621537	MOVZXTHYRIHIKI-JSGCOSHPSA-N	307.369	1.991	50	20	DDGD	
CO[C@]1(C)C[C@H](NC(=O)NNC(=O)N=c2cc[nH]cc2)C1(C)C	836335980	SRSYPBAKSSBSMK-XHDPSFHLSA-N	321.381	1.043	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CCCOc2c(Cl)cccc21	733744974	YAITZLWZDOSTIL-UHFFFAOYSA-N	323.780	1.858	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2	910180810	OEYIXSDJMZDMNT-RKDXNWHRSA-N	309.391	1.077	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)C2CCCC2)cc1F	916595345	CSVKWSCPUHTVFR-UHFFFAOYSA-N	309.341	1.855	50	20	DDGD	
C[C@@]1(C(=O)NC[C@H]2CC[C@H](C(N)=O)CC2)C[C@H]1Br	911175837	JGMJQSJUVNXTQC-VWMGYNLJSA-N	317.227	1.568	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)N2CCOCC2)cc1OC	745590680	FDZZQRMBHGHLAZ-UHFFFAOYSA-N	321.377	1.860	50	20	DDGD	
CCOc1ccc([N+](=O)[O-])cc1C=NNC(=O)c1cnccn1	748586657	YJYZPXLYUQWJOT-UHFFFAOYSA-N	315.289	1.547	50	20	DDGD	
COc1ccc(OCC(=O)NN=C[C@@H](OC)[C@H]2CCOC2)cc1	841607745	YDWJFZVQNAWSRY-SWLSCSKDSA-N	322.361	1.228	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCOc2c(C)cccc21	748254070	VKAGKJUAMQQUFD-LBPRGKRZSA-N	306.362	1.649	50	20	DDGD	
Cc1cc(/C=C(/C#N)C(=O)OCCO)c(C)n1C[C@@H]1CCCO1	912618332	PQUWZZKDGTZTNJ-TYWAAFNRSA-N	318.373	1.726	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	843974409	KIVMZYJGKDCHLI-JSGCOSHPSA-N	318.373	1.530	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)C[C@@H](C)OC)cc1OC	749564821	XXSOIKJDAKJGAB-LLVKDONJSA-N	324.377	1.670	50	20	DDGD	
Cc1ccc([C@@H](C)C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)o1	744354517	GMCPWPYXLMOLPL-NEPJUHHUSA-N	314.407	1.184	50	20	DDGD	
CCCC[C@@H](CN)NC(=O)NNC(=O)Cc1ccccc1F	841958806	KJTCUQOAJZUJFK-LBPRGKRZSA-N	310.373	1.216	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NNC(=O)c1ncccn1	841350143	GHUULPYDZCWNFQ-UWVGGRQHSA-N	302.359	1.411	50	20	DDGD	
C[C@H]1CC=C(C(=O)NNc2ccccc2S(N)(=O)=O)CC1	842259398	XNQJIDKUOYBBLI-JTQLQIEISA-N	309.391	1.524	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CCN2CCC[C@H]2C1	916573900	SGPHYYQUNFUOSV-KGLIPLIRSA-N	316.405	1.566	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)[C@@H]1C[C@H]2CC[C@@H]1O2	848322897	SBJLYYHBCVXTFM-HLTSFMKQSA-N	313.155	1.250	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCOc1cccc(F)c1	843647384	YOVHLWKQWQRFQY-GXFFZTMASA-N	310.325	1.167	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ncoc1-c1ccccc1	843652953	VLDIHLGSOPEBHG-PWSUYJOCSA-N	315.329	1.528	50	20	DDGD	
O=C(CNC(=O)c1ccc(O)cc1)NNc1cccc(F)c1	749267666	QZOQCSFTXZJZGF-UHFFFAOYSA-N	303.293	1.404	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCOC2CCC2)cc(C#N)n1C	742816627	KHIWVGLGSWNIDF-RIYZIHGNSA-N	312.373	1.797	50	20	DDGD	
O=C(CN1CCCC1=O)NNc1cccc(C(F)(F)F)n1	740138005	UUHSNUBOWPFFBZ-UHFFFAOYSA-N	302.256	1.166	50	20	DDGD	
CCNCCCNC(=O)NNC(=O)c1ccc2ccccc2n1	841917438	HHOLHYYHAWTABT-UHFFFAOYSA-N	315.377	1.178	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1nc(F)ccc1Br	847687995	YXKDNBKDVTVUCJ-UHFFFAOYSA-N	319.134	1.289	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccccc1F)[C@@H]1CCCNC1	841929598	WOFSLQKAQJQPJS-DGCLKSJQSA-N	322.384	1.087	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H]1CCCCN1Cc1ccccc1	854924711	OTADKMKKMYKEEU-AWEZNQCLSA-N	320.462	1.508	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@H]1Cc2cccc(O)c2C1	759458662	BFGYSECWNPBHQZ-VIFPVBQESA-N	319.752	1.629	50	20	DDGD	
CO[C@](C)(C(=O)O)C(=O)NNc1c(Cl)cccc1Cl	852947930	TXVOUMIVENOIGY-NSHDSACASA-N	307.133	1.926	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@]2(C)COc3ccccc3O2)n1	858404649	WDQSYCQMDDVPLG-OAHLLOKOSA-N	316.317	1.158	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2COC[C@@H]2C)c1C	926022176	JNWUVMKBOMNNRL-TVQRCGJNSA-N	307.350	1.443	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2cc[nH]n2)cnn1CCC(C)C	855355908	CDSSSHMTPOTMQN-UHFFFAOYSA-N	318.381	1.290	50	20	DDGD	
O=C(NNC(=O)C1(C(F)(F)F)CCCCC1)c1ccnnc1	854968887	PPDRRGWRYSQWBD-UHFFFAOYSA-N	316.283	1.750	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@]2(C)CCOC2)cc1	754161188	BUKPUHMWTPQHKR-MRXNPFEDSA-N	306.362	1.202	50	20	DDGD	
O=C(O)CCOc1ccc(C=NNC(=O)NCC2CC2)cc1	920828299	BQNMGLFSGYNJAF-UHFFFAOYSA-N	305.334	1.583	50	20	DDGD	
CCOCc1nc(C)c(C(=O)NNc2nccc(OC)n2)s1	857436877	LIZVOCCKDRCULU-UHFFFAOYSA-N	323.378	1.544	50	20	DDGD	
COc1c(F)cc(NC(=O)NNC(=O)c2ccccn2)cc1F	756149308	WEIXSHWRWGVYSM-UHFFFAOYSA-N	322.271	1.835	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCCS(=O)(=O)C1CC1	854172503	DFEQMPGNEDFTHS-UHFFFAOYSA-N	315.370	1.337	50	20	DDGD	
CCCc1nc(C(=O)NNC(=O)C(C)(OCC)OCC)co1	854385959	GPBQFVZVFISQJV-UHFFFAOYSA-N	313.354	1.177	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(N2CCCC2)nc1	758378501	PEIAUTPVSLSKKD-CYBMUJFWSA-N	320.393	1.183	50	20	DDGD	
C#CCN1CCC[C@@H](NC(=O)/C(C#N)=C/c2ccc(O)cc2)C1	923567376	YLKDRLFMKZPPFM-RBFDBLARSA-N	309.369	1.513	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)CC2(CC#N)CC2)C[C@@H]1Br	856753543	TULBCNLIWMSKPR-UWVGGRQHSA-N	321.240	1.773	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC(C)(C)[C@@H]1c1ccncc1	854042501	NPKVFUYNHJFWFJ-AWEZNQCLSA-N	318.421	1.658	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)C[C@@H](C)c1ccco1	859539808	RGUUQIJADKGNJG-SNVBAGLBSA-N	309.366	1.225	50	20	DDGD	
CC(=O)N[C@@H](CCC(C)C)C(=O)NNc1ncc(F)cc1F	854897698	FSAKRKOFSFIZRS-LBPRGKRZSA-N	314.336	1.744	50	20	DDGD	
CCOC(=O)Oc1ccc(C(=O)NN(C)C(=S)NC)cc1	854921635	UVTWCGZRQVRZHK-UHFFFAOYSA-N	311.363	1.303	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cc(O)ccc1Cl	855089861	JWCBURGSQAQIRU-UHFFFAOYSA-N	313.810	1.955	50	20	DDGD	
CC(C)(C)OC(=O)NCCCCCC(=O)NN=C1CCOC1	853412597	CBXUHHHUPFTVGT-UHFFFAOYSA-N	313.398	1.964	50	20	DDGD	
COC(=O)c1oc(C=NNC(=O)NCC(F)(F)F)cc1C	853292822	KCEHXSFMIIPZMU-UHFFFAOYSA-N	307.228	1.570	50	20	DDGD	
CC(C)NCCCNC(=O)NC[C@]1(C)C[C@@H]1Br	857103107	BUZJDQKZYXHHMG-JQWIXIFHSA-N	306.248	1.847	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)c2ccnc(N(C)C)c2)c1C	755708282	BZNCVRIACRZGNP-UHFFFAOYSA-N	314.393	1.745	50	20	DDGD	
COCCOCC(=O)NNC(=S)Nc1ccc(C)c(C)c1	865244178	GBVSOCGNWNSJON-UHFFFAOYSA-N	311.407	1.284	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2ccc(Br)s2)N1	863145032	DUPPQBWMLMXSIC-SSDOTTSWSA-N	316.180	1.239	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CNC(=O)CC(C)(C)C)c1	862477558	LPTDXXCGSTWGGK-UHFFFAOYSA-N	311.407	1.370	50	20	DDGD	
CCc1ccc([C@@H](C)CC(=O)NNC(=O)COCCOC)cc1	869910095	NQCISYKQEXKZFG-ZDUSSCGKSA-N	322.405	1.553	50	20	DDGD	
CCOC(=O)c1nc(N2CC[C@H](B(O)O)C2)cc(C(C)(C)C)n1	864232815	DMZCFXGNRILXDW-JTQLQIEISA-N	321.186	1.004	50	20	DDGD	
CCCCS(=O)(=O)CC(=O)NNc1ccccc1Cl	935021463	CCGPOICRFLKGLH-UHFFFAOYSA-N	304.799	1.998	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNc2ncc(F)cn2)o1	760912480	YAZQEIHMXUSRHF-UHFFFAOYSA-N	307.329	1.807	50	20	DDGD	
N#C/C(=C\c1ccccc1)C(=O)OCC(=O)NC[C@@H]1CCCO1	864095515	OXZZGQUUGRUMLT-HNRFISLBSA-N	314.341	1.432	50	20	DDGD	
COC(C)(C)CCNC(=O)NNC(=O)Cc1ccccc1C	868992232	USKLVGJNVDXSMK-UHFFFAOYSA-N	307.394	1.683	50	20	DDGD	
O=C1NCC[C@@]1(C(=O)NNc1ncc(F)cc1F)C1CCCC1	861940605	YBXKJBPWPHOOQT-OAHLLOKOSA-N	324.331	1.499	50	20	DDGD	
COc1ccc(NNC(=O)CN2[C@@H](C)CC[C@H]2C)c([N+](=O)[O-])c1	769309155	CSLLKAZAYUFRFS-PHIMTYICSA-N	322.365	1.919	50	20	DDGD	
O=C(NNC(=O)c1cnc([C@H]2CCCO2)s1)NC1CCCC1	760382741	RJZHLWXQYRVFDE-SNVBAGLBSA-N	324.406	1.881	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc2nc(OC)ccc2c1	878575827	PAJKLRBTQWNAFS-UHFFFAOYSA-N	304.350	1.858	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccccn2)cnn1C1CCCC1	1116413500	CQKILSZZNSRNQW-UHFFFAOYSA-N	313.361	1.776	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCS[C@@H](C)[C@@H]2C)c1	777588613	NFKBZGZLDOVRHX-STQMWFEESA-N	321.446	1.582	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NN=c2sc3ccccc3n2C)CCO1	776284727	CJDQMFQUPJQTQP-MNOVXSKESA-N	305.403	1.987	50	20	DDGD	
C[C@H](CBr)COC(=O)C1CCC(NC(N)=O)CC1	770350737	ZBLZXJHQABJFEW-XNWIYYODSA-N	321.215	1.788	50	20	DDGD	
CN(CC(=O)NNc1nc(-c2ccncc2)no1)CC(C)(C)C	874271433	CSFFAMMKLAKHKS-UHFFFAOYSA-N	318.381	1.553	50	20	DDGD	
C[C@H](CBr)COC(=O)CCCN1C(=O)CCC1=O	770339234	HARWNIPDZBIVRX-SECBINFHSA-N	320.183	1.490	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874953975	OROADAYWLRANLR-UHFFFAOYSA-N	324.450	1.885	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCCc2ccccc21	771974697	ONRGLLKNMPWLRH-RISCZKNCSA-N	318.373	1.596	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H]2CC[C@H](C)C2)nc1C	778425582	BUQDELPCSVQXQQ-GXSJLCMTSA-N	306.366	1.841	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc2c(c1)CCC(=O)N2C	770354821	TYMMXFUCQCLBPP-UHFFFAOYSA-N	304.350	1.404	50	20	DDGD	
C[C@H]1CCC[C@@H](OCC(=O)NNC(=S)Nc2ccccn2)C1	874956617	JOLKRYWPLXDOJO-NWDGAFQWSA-N	322.434	1.995	50	20	DDGD	
CC(C)OCCONC(=O)NNc1ccc(C(C)(C)C)nn1	1117698923	AJTFOPGCCUZPKT-UHFFFAOYSA-N	311.386	1.757	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H]2CCCN2C)c1	873755877	XJBCRHDYJIERRO-ZDUSSCGKSA-N	306.435	1.715	50	20	DDGD	
C[C@H]1CN(C)CC1=NNC(=O)C(=O)NCc1ccc(Cl)cc1	771568958	ZBVQSFITSYCOJN-JTQLQIEISA-N	322.796	1.010	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)/C=C\SCc2ccco2)CC1	773672186	FYWMGTDKTVXBTP-WMZJFQQLSA-N	324.406	1.015	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)N[C@@H]1[C@H]2CCc3ccccc3[C@H]21	883540135	VCTXBJMFCBWTMN-NWANDNLSSA-N	323.356	1.149	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cccc(Cl)c1O	775767705	HGALJMQNJFNAAT-UHFFFAOYSA-N	305.721	1.444	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1nsc2ccccc12	880019824	XBSRUIFVOMYOJZ-BDAKNGLRSA-N	320.374	1.874	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2cccnn2)[C@@H]1c1ccccc1	883851706	XZBKDHRWSZIZRA-RISCZKNCSA-N	311.345	1.524	50	20	DDGD	
CC(=NNC(=O)Cc1cn2ccccc2n1)c1ccc(F)cn1	770606211	UGRKSUIUVVWJGV-UHFFFAOYSA-N	311.320	1.951	50	20	DDGD	
CC(C)(C)OC(=O)NOCC(=O)NNc1ccc(F)c(F)c1	885115753	MEIIIEIWRZMEFX-UHFFFAOYSA-N	317.292	1.864	50	20	DDGD	
CN(CC(=O)NCc1cccs1)S(=O)(=O)CCCCl	881886758	NMPJFVZBDQYQTA-UHFFFAOYSA-N	324.855	1.255	50	20	DDGD	
Cn1ccnc1[C@H]1C[C@@H](NS(=O)(=O)CCCCl)CCO1	882245772	MKDNIOPDYSDTOO-WDEREUQCSA-N	321.830	1.189	50	20	DDGD	
COc1ccccc1C(=O)NN=C1CCC[C@@H](S(C)(=O)=O)C1	788429809	NDAFNYMDSFPGCE-GFCCVEGCSA-N	324.402	1.768	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@@H]2C)cc1O	882051425	LMZHXLJZHXJSRH-RMIALFOJSA-N	306.362	1.521	50	20	DDGD	
CC(C)(C)CNC(=O)C(C)(C)NS(=O)(=O)CCCCl	882006484	ZXNYDZPAZZNFMB-UHFFFAOYSA-N	312.863	1.476	50	20	DDGD	
CCN(CC(=O)NNC(=O)C1CCOCC1)c1ccccc1	883061680	CXSSMCFVQCEWDH-UHFFFAOYSA-N	305.378	1.087	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N[C@]1(C)CCO[C@@H]1C1CC1	784595829	RRYPYFQLILXHNW-SGIREYDYSA-N	311.426	1.116	50	20	DDGD	
CCOC(=O)C1(CC(=O)NN=c2cc[nH]cc2Cl)CCC1	789848815	YYNFLQSOWKIPKF-UHFFFAOYSA-N	311.769	1.724	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ccnc(F)c2)c(C)n1	784847282	YSGDEOVQLHBPGB-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@H]1Cc2ccccc2CN1	892812852	DYBJHISAMWCJLX-CQSZACIVSA-N	304.394	1.077	50	20	DDGD	
O=C(NNC(=S)NCCc1ccc(F)cc1)c1ccncc1	789157439	LNDWICNFIWOWAH-UHFFFAOYSA-N	318.377	1.572	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H](CC(=O)NNC(=O)C1CC1)C1CC1	784985118	GWNYDUJYHXKBKM-NSHDSACASA-N	311.382	1.237	50	20	DDGD	
C[C@H](NS(=O)(=O)CBr)[C@H](O)Cc1ccccc1	782471676	BOBPWRVLZCEXMZ-GXSJLCMTSA-N	322.224	1.250	50	20	DDGD	
O=C(CC1(O)CCCCC1)NNc1ccc(-n2ccnc2)nn1	788179538	XJRFRIRGQRJWRY-UHFFFAOYSA-N	316.365	1.191	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCC(=O)Nc1sccc1C#N	786676060	NTARHALJYLBJMZ-WZUFQYTHSA-N	301.327	1.961	50	20	DDGD	
CCCCNC(=O)NN=Cc1c(Br)c(C)nn1C	790287064	KXZUDUMJCBIMHQ-UHFFFAOYSA-N	316.203	1.924	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)c2ccc(C#N)o2)c1	794277740	CSWFRMUJDPFSPQ-UHFFFAOYSA-N	310.338	1.764	50	20	DDGD	
Cc1cc(CC(=O)NN=C2CC[C@H](C)C[C@H]2n2cncn2)n[nH]1	794489776	DABCYTIYYVPNPO-IINYFYTJSA-N	315.381	1.386	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)NCC(F)(F)F)c1ccncc1	798314864	DNNKDHHQCINSBM-QMMMGPOBSA-N	304.272	1.468	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1ccc(C)nc1O	793079219	XCPFPJINTRQSIR-UHFFFAOYSA-N	301.393	1.162	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C1CCCc2cccnc21	799109975	MBSVXSAAHDSFNQ-UHFFFAOYSA-N	312.329	1.261	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(Cl)c(Cl)n1C	798306408	ZTVIPDGWWYMSPZ-UHFFFAOYSA-N	307.206	1.627	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2cccc(C(F)(F)F)c2)CC1	790172999	BHCOAGUITBQOQD-UHFFFAOYSA-N	314.311	1.996	50	20	DDGD	
Cc1cccn2c(C=NNC(=O)c3ccc(O)c(O)c3)cnc12	794556339	VZRNXBLHVVZGEU-UHFFFAOYSA-N	310.313	1.818	50	20	DDGD	
Cc1ccc(C(=O)N2CC[C@@H](B(O)O)C2)c(Br)c1	585064044	BUSIYERDXGVSIZ-SECBINFHSA-N	311.972	1.446	50	20	DDGD	
COc1cncc(C(=O)NNc2ncc(Cl)cc2Cl)n1	790909179	MYEXQTHXKBPIGE-UHFFFAOYSA-N	314.132	1.944	50	20	DDGD	
COC(=O)c1csc(C(C)=NNC(=O)c2cc(C)[nH]n2)c1	794920791	SQTHVOAXAGAHTB-UHFFFAOYSA-N	306.347	1.720	50	20	DDGD	
COC(=O)c1ccc(C(=O)OC[C@@H](C)CBr)[nH]1	796348388	ZUDOTGXLUUXHPL-ZETCQYMHSA-N	304.140	1.989	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1cnns1	1320676136	PVTYELISTIZTDB-UHFFFAOYSA-N	305.348	1.209	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H](C)OCc1ccc(F)cc1	1324631030	UWANNYVDCNPOSH-JTQLQIEISA-N	313.398	1.635	50	20	DDGD	
COC(=O)C(=O)NN=C(C[C@@H]1CCCO1)c1ccc(F)cc1	1323992084	WZMCGKUAFRTPEI-LBPRGKRZSA-N	308.309	1.388	50	20	DDGD	
CC(C)[C@]1(C)C[C@@H]1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1324151467	YGYKJYVTLNNKGF-BZNIZROVSA-N	304.394	1.732	50	20	DDGD	
CN(NC(=O)c1nc(-c2ccccc2)oc1C1CC1)C(N)=O	1323660003	NYPXGNXNBMVGCY-UHFFFAOYSA-N	300.318	1.874	50	20	DDGD	
Cc1cccnc1NNC(=O)COc1ccc([N+](=O)[O-])c(F)c1	1321034084	SZVWTHMSMBTOHL-UHFFFAOYSA-N	320.280	1.959	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H](CC(C)(C)C)c1ccccc1	1322254361	RXSYFZCVFBGHIJ-LBPRGKRZSA-N	321.377	1.667	50	20	DDGD	
O=C(CCc1ccc2c(c1)CCO2)NNC(=O)CC(F)(F)F	1330816020	BIEAIGUJUUBFEJ-UHFFFAOYSA-N	316.279	1.654	50	20	DDGD	
COc1ccc(C(=O)NNc2ccn(C)n2)c(OC)c1OC	1339438548	QJZCURFNNGHNDH-UHFFFAOYSA-N	306.322	1.203	50	20	DDGD	
Cc1nc([C@H](C)NC(=O)NC[C@@]2(C)C[C@@H]2Br)no1	1331336883	FXROOOPRDKKXAP-GEOGLEFRSA-N	317.187	1.912	50	20	DDGD	
CCOCCOC[C@@H](O)CNC(=O)c1cccc(CCl)c1	1353653950	JAERKGOBYJZSAJ-AWEZNQCLSA-N	315.797	1.569	50	20	DDGD	
CC(=NNC(=O)NCC(F)(F)F)c1ncc(C(=O)O)s1	1602990862	LURGAHYPFFKITR-UHFFFAOYSA-N	310.257	1.427	50	20	DDGD	
C/C(=C/C(=O)NCC(Cl)Cl)C(=O)NCC(Cl)Cl	1521574231	CBWVNWWJZZYECA-DJWKRKHSSA-N	322.019	1.773	50	20	DDGD	
O=C(Cc1ccc2c(c1)COC2)NNc1ccc(C(=O)O)cn1	1601362349	QGTJJCGDTJVWMU-UHFFFAOYSA-N	313.313	1.496	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)CCc1ocnc1C(=O)O	1607665051	QYRWYZCQRYLUIH-UHFFFAOYSA-N	307.281	1.896	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)cnc1C(=O)NNc1ccc(F)cc1	1605551459	DFGTXSXXNQLULN-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccc3cccnc3n2)nc1	1602382787	CFPKVLYEOOZXKY-UHFFFAOYSA-N	309.285	1.480	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCC[C@H]1C(=O)O)OCC(F)(F)F	1608479114	MUFFWWBAAGRDPF-NKWVEPMBSA-N	312.244	1.197	50	20	DDGD	
O=C(O)c1cc(C=NNC(=O)[C@H]2CCCCO2)n2c1CCCC2	1602254616	FKCLUQORUKUPDC-CQSZACIVSA-N	319.361	1.542	50	20	DDGD	
Cc1cc(=NNC(=O)NCc2cc(C(=O)O)c(C)o2)cc[nH]1	1600283312	OTLXEBOYSNDTOX-UHFFFAOYSA-N	304.306	1.238	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)COc2ccc(F)cc2)cc1	1608780890	IRUCAXJNWDPMHF-UHFFFAOYSA-N	318.304	1.975	50	20	DDGD	
O=C(O)CCN1CCC(=NNC(=O)c2ccccc2Cl)CC1	1610773693	QKDWQKIPCJHQIU-UHFFFAOYSA-N	323.780	1.996	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N(C)CCCC(=O)O)cc(C#N)n1C	1610410171	CZTVTGMRYWCOKW-NTUHNPAUSA-N	314.345	1.435	50	20	DDGD	
O=C(NN=Cc1cccc2[nH]ccc12)[C@H]1CN2CCC[C@@H]2CO1	1549317766	MOEPOKKKRAIQOW-CZUORRHYSA-N	312.373	1.481	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)C[C@H]2CCCN2)cc1	1578427951	TWZMAQUGTLHYCA-GFCCVEGCSA-N	321.450	1.212	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cn2cc(CN)ccc2n1	1579787921	FNCCDPBZGCMZEN-UHFFFAOYSA-N	323.356	1.176	50	20	DDGD	
Cn1c(=NNC(=O)c2cnc(CN)s2)sc2ccccc21	1579939970	IXVKUXQOZXLJSI-UHFFFAOYSA-N	319.415	1.401	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@]23CNC[C@@H]2C3)cc1	1578183584	UKTUJMDDHOTGNU-ZUZCIYMTSA-N	320.418	1.012	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)c2ccon2)C1	1842539404	UAGCIMLSVFQSHT-SECBINFHSA-N	301.705	1.026	50	20	DDGD	
N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1cccc(Cl)n1	1580135360	BDPSTIXOICNEAW-NSHDSACASA-N	318.764	1.066	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1coc([C@@H]2CCCN2)n1	1580739265	BEKJYLNKUHPCAF-NSHDSACASA-N	312.333	1.732	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)C2=COCCC2)C1	1846408114	QFCOPJCPIZADBZ-LLVKDONJSA-N	316.760	1.419	50	20	DDGD	
NC1(C(=O)NNC(=O)c2ccccc2Br)CCC1	1580139224	AVVZPRFKJJHRFW-UHFFFAOYSA-N	312.167	1.092	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843365312	JLIUFGYKTSUMIF-BDAKNGLRSA-N	311.184	1.742	50	20	DDGD	
C[C@@H](CC(=O)O)N1CCN(C(=O)C2CCC(Cl)CC2)CC1	1592406853	YEIDVXDWACGVCR-HIFPTAJRSA-N	316.829	1.791	50	20	DDGD	
O=C(Cc1cccc(F)c1)NNc1ccc(-c2nn[nH]n2)cn1	1592921939	DPYXSAJFYPJTNM-UHFFFAOYSA-N	313.296	1.087	50	20	DDGD	
COc1ccccc1NCC(=O)NNc1ncccc1C(=O)O	1594146089	OSFKWIQMHFPZLF-UHFFFAOYSA-N	316.317	1.344	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1cccc(F)c1-c1nn[nH]n1	1591043796	HLCGPNOTKNBHKL-UHFFFAOYSA-N	318.139	1.882	50	20	DDGD	
O=C(NCC(Cl)Cl)c1cccc(F)c1-c1nn[nH]n1	1593008225	AOVKWDSIHAGJGN-UHFFFAOYSA-N	304.112	1.539	50	20	DDGD	
Cc1nn(C)c(Cl)c1C=NNC(=O)c1ccc(C(=O)O)cc1	1776099135	RCBBWBBRMLRLAT-UHFFFAOYSA-N	320.736	1.844	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2snc(C)c2C(=O)O)cc1	1776021074	VNYFWVFAPOWJCG-UHFFFAOYSA-N	319.342	1.922	50	20	DDGD	
O=C(NN=C1COc2ncccc21)Nc1ccc(C(=O)O)cc1	1776046121	BUVNWRWBTHIIMG-UHFFFAOYSA-N	312.285	1.698	50	20	DDGD	
CCCCCCNC(=O)/C(C#N)=C\c1c(C(=O)O)cnn1C	1776789128	WJMWBDMHICTKFH-FLIBITNWSA-N	304.350	1.722	50	20	DDGD	
Cc1ccc(C=NNC(=O)c2nc[nH]c3ncnc2-3)c(C(=O)O)c1	1776105035	MEPPKKQOBKSWIB-UHFFFAOYSA-N	324.300	1.075	50	20	DDGD	
CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](Cl)CC)C2)C1	1781212649	DHXQLOXZIREOLN-SWLSCSKDSA-N	316.829	1.634	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(N)=O)c(-c2ccc3c(c2)OCCCO3)n1	15661392	JCNYWRACXLRLNB-KPKJPENVSA-N	324.340	1.641	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1C	161209389	HZRFBHTZVPLMJL-UHFFFAOYSA-N	303.240	1.120	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1cccc(-c2csc(C)n2)c1	161253991	DHFWWJKUGCQEDK-UHFFFAOYSA-N	318.358	1.224	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccnc2)c(C)c1	160608566	QXJLXSMOAZECJE-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
O=C(NCc1nccs1)NNc1ncnc2ccsc12	163749992	DVXBHWRQNWAHEF-UHFFFAOYSA-N	306.376	1.974	50	20	DDGD	
C[C@H](CNC(=O)NNc1ncnc2ccsc12)N(C)C1CC1	151761817	HQODYCVLKCRWCS-SECBINFHSA-N	320.422	1.800	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CSc2ccc(C#N)cc2)[nH]n1	153293350	ADIMUGDMEXDVLJ-UHFFFAOYSA-N	315.358	1.143	50	20	DDGD	
O=C(NNc1ccccc1)NC1CCN(C[C@@H]2CCOC2)CC1	153584507	DJFJIQPMBUMKLJ-AWEZNQCLSA-N	318.421	1.814	50	20	DDGD	
CCO[C@@H](C)c1nccn1CC(=O)NNC(=O)c1cccs1	155629245	IWSGAMNCQSRXCO-JTQLQIEISA-N	322.390	1.503	50	20	DDGD	
CCc1ccc(C(C)(C)C(=O)NNc2nccn(C)c2=O)cc1	156256869	ZUSODVKLOQWYHU-UHFFFAOYSA-N	314.389	1.764	50	20	DDGD	
O=C(CCSCc1ccccn1)NNc1ncc(F)cn1	157720948	SQYLUDQLPPWQFV-UHFFFAOYSA-N	307.354	1.777	50	20	DDGD	
CC(C)(C)[S@](=O)CCNS(=O)(=O)CCCCCl	154244781	VTTBCSYVUOYAPZ-INIZCTEOSA-N	303.877	1.472	50	20	DDGD	
CCc1ccc(CCC(=O)NNc2ccc(C(N)=O)nn2)cc1	154317908	UUZHSSHOLQBSET-UHFFFAOYSA-N	313.361	1.214	50	20	DDGD	
CN(CC(=O)NNc1cc(F)c(F)cc1F)[C@@H]1CCSC1	159764280	RIVDVCVZCSGCFE-MRVPVSSYSA-N	319.352	1.984	50	20	DDGD	
O=C(C1CC1)N1CCN(C[C@H](CBr)C2CC2)CC1	859053939	QBYHUOGIMGJHBU-ZDUSSCGKSA-N	315.255	1.962	50	20	DDGD	
O=C(Cc1ccc([N+](=O)[O-])cc1)NNC(=O)Nc1ccccc1	6339776	BSJGZZKAVGQEHI-UHFFFAOYSA-N	314.301	1.990	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cc2c(s1)CCOC2	103422935	ILXZSMSBCSKJIH-UHFFFAOYSA-N	317.370	1.220	50	20	DDGD	
CC(C)S(=O)(=O)CC(=O)NNc1cccc(C(F)(F)F)c1	103276635	FYVSSIJUWOSWMC-UHFFFAOYSA-N	324.324	1.972	50	20	DDGD	
O=C(NNC(=O)c1ccc(O)c(Cl)c1)Nc1ccccn1	114777983	MUVHALBAUSYOEZ-UHFFFAOYSA-N	306.709	1.907	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C2[C@H]3CCC[C@@H]23)c1	178075031	NBFBVFMSABQGRK-OCZCAGDBSA-N	302.374	1.876	50	20	DDGD	
COCCOCCC(=O)NNC(=O)c1cc2ccccc2o1	177722953	VCSWEZSEUONEES-UHFFFAOYSA-N	306.318	1.247	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)Nc1nccs1	172641501	ABBIYPKREFRJNY-UHFFFAOYSA-N	306.347	1.513	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	172907757	GXRDTJUSRKFUMY-UHFFFAOYSA-N	320.227	1.530	50	20	DDGD	
NC(=O)[C@H](NNC(=O)c1cc2ccccc2o1)c1ccccc1	178669350	LPOQISCDGRMMEO-OAHLLOKOSA-N	309.325	1.894	50	20	DDGD	
CCc1ncsc1C(=O)NNC(=O)c1cccc(C#N)c1	119567280	WAJAOWKZNIVWSA-UHFFFAOYSA-N	300.343	1.652	50	20	DDGD	
CSc1ccc(C(=O)NNc2ncnc3nc[nH]c23)cc1	173962860	OAHISANYHFTJGY-UHFFFAOYSA-N	300.347	1.832	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC	68120511	ZSQICKVCDPJLSJ-UWVGGRQHSA-N	316.402	1.276	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(-n3cnnc3)cc2)o1	176221676	ZAUMXJYZPPPADV-UHFFFAOYSA-N	311.301	1.244	50	20	DDGD	
CCNC(=O)NNC(=O)CSc1nc2ccccc2n1CC	65191187	WHZMUBUETXBYGR-UHFFFAOYSA-N	321.406	1.499	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NCC2=CCCOC2)nn1	1261134262	RCIOMUSGOMJEHI-UHFFFAOYSA-N	305.382	1.747	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)c2ccc[nH]2)cc1O	120112108	IJVJGKSBRNWKNO-FNORWQNLSA-N	301.302	1.203	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC(F)(F)F)c(F)c1	60415218	QHKFFCUSVZZUMN-UHFFFAOYSA-N	309.219	1.341	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cc(F)c(O)c(F)c2)cc1	186718088	NBFHSMVHUUBVHI-UHFFFAOYSA-N	317.251	1.617	50	20	DDGD	
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NNc1ccccn1	181241150	NOQSVAVHGHLGFJ-UHFFFAOYSA-N	301.306	1.813	50	20	DDGD	
CC(=O)NNC(=O)Nc1cc(F)c(Br)c(F)c1	121015050	NGSATBQLZACVNV-UHFFFAOYSA-N	308.082	1.900	50	20	DDGD	
CC[C@H](O)CCNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	305081985	RGADRMWPIWHOPO-COSNYCCFSA-N	300.362	1.389	50	20	DDGD	
CCN(C)C(=O)CNC(=O)NNc1c(F)cccc1Cl	186203150	LSRMXHHWCYOEHC-UHFFFAOYSA-N	302.737	1.584	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)[nH]1	128664475	UWDMWZBLFMUDIY-UHFFFAOYSA-N	320.312	1.351	50	20	DDGD	
CC[C@H]1C[C@@H](C(=O)NNC(=O)c2ccc(Cl)nc2)CCO1	183563438	DHJUGJSTODQILT-ONGXEEELSA-N	311.769	1.701	50	20	DDGD	
C[C@]1(C(=O)NNc2ncc(F)cn2)Cc2ccccc2C(=O)O1	122532815	FGCKLFJGLWYPSW-OAHLLOKOSA-N	316.292	1.231	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc(Cl)ncc1Cl	122896222	HTQPPZIDOCSOHS-UHFFFAOYSA-N	313.144	1.802	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)[C@@H]1CC1(Cl)Cl	124322825	FDZWIJLRBAREPB-JTQLQIEISA-N	317.172	1.544	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)NCCC2CC2)cc1	74819722	HYOSXCBQPZTTCT-UHFFFAOYSA-N	302.334	1.068	50	20	DDGD	
CCc1ccccc1CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	188178814	OJLVETKWDJDAPQ-HNNXBMFYSA-N	324.446	1.284	50	20	DDGD	
COc1ccc(/C=C(\C#N)S(=O)(=O)NC2CC2)cc1OC	188036397	YCCYFLSQUAYGGB-KPKJPENVSA-N	308.359	1.650	50	20	DDGD	
Cc1oc(-c2ccco2)nc1CC(=O)NNc1ncc(F)cn1	122865572	FVBYQRILVWKYCV-UHFFFAOYSA-N	317.280	1.858	50	20	DDGD	
C[C@H](NCC(=O)NNC(=O)c1ccccc1)c1cccc(O)c1	181545441	LXLJEMLHWCTCIA-LBPRGKRZSA-N	313.357	1.504	50	20	DDGD	
Cc1cccc(F)c1S(=O)(=O)NNC(=O)c1cccn1C	186923353	VHRGUTCFVPUIBM-UHFFFAOYSA-N	311.338	1.096	50	20	DDGD	
COc1cccc(NNC(=O)NC2CCN(C(C)(C)C)CC2)n1	181054327	SPFNOVFWSLHKQD-UHFFFAOYSA-N	321.425	1.979	50	20	DDGD	
Cc1cccc(NNC(=O)Cn2nnc3ccccc3c2=O)c1	70795850	VCYMPRFHBGVIFJ-UHFFFAOYSA-N	309.329	1.243	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNC(=O)CCCc1ccccc1	130341632	NFVCPASLTGQGGA-GFCCVEGCSA-N	306.362	1.356	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)C(=O)Nc1ccc2c(c1)CCC2	181983944	DMZHPKNSERWHSK-UHFFFAOYSA-N	323.352	1.575	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NC[C@H]2CCCCO2)c1	139748929	UGONWHPYSATFNU-CQSZACIVSA-N	321.377	1.273	50	20	DDGD	
COc1ccc(C(=O)NNc2nc3ccccc3c(=O)[nH]2)cc1	137150898	XDISYDPRSSMSLV-UHFFFAOYSA-N	310.313	1.689	50	20	DDGD	
O=C(NNC(=O)c1ccc2[nH]c(=O)[nH]c2c1)NC1CCCCC1	193324358	DOYRPKVMGJZSLC-UHFFFAOYSA-N	317.349	1.133	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Cc1ccc(F)cc1Cl	130596113	GBCBGJCOSXMRAN-UHFFFAOYSA-N	321.739	1.807	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNc2nc3ccccn3n2)c1	191923424	ZIAFAEWCASYKEI-UHFFFAOYSA-N	312.289	1.703	50	20	DDGD	
CC(C)N1CCC(NC(=O)NNC(=O)c2ccccc2F)CC1	43179483	PRWFUCNRLDCNBV-UHFFFAOYSA-N	322.384	1.643	50	20	DDGD	
CCc1cc(NC(=O)NNc2nc3ccccn3n2)n(C)n1	192255519	KNDPZOQUBBRXOJ-UHFFFAOYSA-N	300.326	1.174	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccncc2)cnn1C(C)(C)C	193351632	BUUKFYFUIZIPQT-UHFFFAOYSA-N	301.350	1.416	50	20	DDGD	
O=C(COc1ccccc1C(F)(F)F)NNC(=O)C1CC1	46124900	BWKLSOZILXNKDO-UHFFFAOYSA-N	302.252	1.642	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CSCCS1)c1ccc(Cl)cc1	192831606	LDHZNQNJBXIPBQ-JTQLQIEISA-N	316.835	1.950	50	20	DDGD	
CCc1ncc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)s1	149980032	JUFMVRKFCSTNFE-UHFFFAOYSA-N	319.390	1.382	50	20	DDGD	
CS[C@H](CO)[C@@H](C)NS(=O)(=O)c1ccc(CCl)cc1	381829863	PNHGNSIPKQKKKH-BXKDBHETSA-N	323.867	1.816	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=Cc1c[nH]c2ccccc12	254414376	HLORTSAVONDPSW-UHFFFAOYSA-N	321.340	1.443	50	20	DDGD	
CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NNc1ncccn1	264456311	OXEIOVLVEIXFID-JTQLQIEISA-N	323.422	1.257	50	20	DDGD	
COC(=O)NCCCC(=O)Oc1ccc([N+](=O)[O-])cc1OC	264472236	WBRVMXJOVVBQJD-UHFFFAOYSA-N	312.278	1.645	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H](C)c1cccc(Cl)c1	266042717	HBGQNGYMSYWMTA-JTQLQIEISA-N	313.785	1.810	50	20	DDGD	
O=C(Cc1csc(-c2cccnc2)n1)NNC(=O)C1CCC1	264664578	FHYGXYGZUHJFBA-UHFFFAOYSA-N	316.386	1.695	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2C[C@H]2c2cccnc2)c1	363659737	KRSUSLUMNMMKBE-JKSUJKDBSA-N	324.384	1.712	50	20	DDGD	
COC(=O)N(C)NC(=O)CCc1nnc(-c2ccsc2)o1	367665506	MDUJSTPFESZYGC-UHFFFAOYSA-N	310.335	1.460	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2cc(C3CC3)on2)c1	271972789	WYUYDGOCBRIJCR-UHFFFAOYSA-N	321.358	1.712	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C1SCCS1	270671552	PVKGHRGLCXHKLD-UHFFFAOYSA-N	312.416	1.191	50	20	DDGD	
CC1(C)OCC(C)(C(=O)NNc2cccc([N+](=O)[O-])c2)CO1	272114474	OGLXFXUILYQZMF-UHFFFAOYSA-N	309.322	1.827	50	20	DDGD	
CCC[C@@H]1CN(C(=O)NNC(=O)c2ccccc2C)CCO1	270294112	PSXPGJWMOJCRHB-CYBMUJFWSA-N	305.378	1.850	50	20	DDGD	
CSSCCNC(=O)N1CCC2(CC1)CNC(=O)C2	367071405	BFFQVIXSCDXAJN-UHFFFAOYSA-N	303.453	1.309	50	20	DDGD	
CC(F)(F)CC(=O)NNC(=O)[C@H]1COc2ccccc2O1	277481473	CLICCULYJJDHRS-SNVBAGLBSA-N	300.261	1.019	50	20	DDGD	
Cn1cc(-c2nn(C)cc2C(=O)NNc2ccccc2F)cn1	370408153	UMSOAQWQYJRFMB-UHFFFAOYSA-N	314.324	1.717	50	20	DDGD	
CO[C@H]1CN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C[C@H]1OC	276941786	UVGTZUMETUUILT-DDYURTPESA-N	303.318	1.805	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](C)C2=CCN(C)CC2)s1	273064202	YSJRVAZUHWYIIQ-LLVKDONJSA-N	322.434	1.651	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(OC)c(Cl)cc1OC	273393680	GZHWBTNCMBPFDE-UHFFFAOYSA-N	301.730	1.920	50	20	DDGD	
CC(C)NC(=O)NC1(C(=O)NNc2cccnn2)CCCCC1	280261930	JQMHXZHMQODJDA-UHFFFAOYSA-N	320.397	1.330	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@]12CCC[C@@H]1CNC2	280965315	ZJJNRERWYPIMDK-WBMJQRKESA-N	313.361	1.569	50	20	DDGD	
COc1cc(C(=O)NNC(=O)NC(C)C)cc(OC)c1OC	288109056	OYRHRDJWRKRIKF-UHFFFAOYSA-N	311.338	1.065	50	20	DDGD	
CSSCCNC(=O)N1CCS(=O)(=O)CC[C@H]1C	375125696	FDUFVFWEPJMRIM-SECBINFHSA-N	312.482	1.216	50	20	DDGD	
Cc1cc(C)cc([C@H](O)CNS(=O)(=O)CBr)c1	282209837	AHWPMWCLGCTNON-LLVKDONJSA-N	322.224	1.609	50	20	DDGD	
COCCN(C)NC(=O)c1cnc(OCC2CC2)c(Cl)c1	288366111	HLIUHDWOINQBOJ-UHFFFAOYSA-N	313.785	1.747	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)C(F)(F)C1(O)CCCC1	284553915	BPMPDCQHMJXOND-UHFFFAOYSA-N	315.276	1.978	50	20	DDGD	
CCOC(=O)CC(C)(C)CC(=O)NNc1nccnc1OC	287913078	RTKXUTOALODYIM-UHFFFAOYSA-N	310.354	1.298	50	20	DDGD	
CCCc1c(C(=O)NN(C)CCOC)[nH]c(C)c1C(=O)OC	288306536	CFFWCGGWMQLXPR-UHFFFAOYSA-N	311.382	1.285	50	20	DDGD	
CCOC(=O)CC(C)(C)CC(=O)NNC(=O)c1ccncc1	286864342	BKZSXNHNJLJOSL-UHFFFAOYSA-N	307.350	1.212	50	20	DDGD	
O=C(NNc1ccccc1F)[C@@H]1COCCN1C1CCCC1	280111349	AUVGYEFPMSMSMI-HNNXBMFYSA-N	307.369	1.912	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2ccc(Cl)nc2)ccn1	807014439	VPXUQPFHCNIAOS-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
C[S@](=O)C1(CNC(=O)NNc2cccc(Cl)n2)CCC1	293413973	QXBMEZXYCGALKK-FQEVSTJZSA-N	316.814	1.662	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CCNC(=O)c1ccc(F)cc1	299085397	XYRXBPVONQSEMM-UHFFFAOYSA-N	309.341	1.139	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H]2CCCCO2)c(C)c1	296569495	STUHJOXDFUCDFX-CYBMUJFWSA-N	307.350	1.725	50	20	DDGD	
Cc1cc(NC(=O)NNc2nccnc2C2CCC2)nn1C	806363078	ZUPTVQZTBJQLTK-UHFFFAOYSA-N	301.354	1.935	50	20	DDGD	
COc1ccc(NNC(=O)NCCc2cccnc2OC)nc1	290889532	GSSHYJRGKWKQGB-UHFFFAOYSA-N	317.349	1.363	50	20	DDGD	
N#Cc1cccc(NNC(=O)NC[C@@H]2CCCS(=O)(=O)C2)c1	807581881	OWAWQILVPWYWRA-LBPRGKRZSA-N	322.390	1.009	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1c(C)nsc1C	294722488	XDRITGHCCGJVOR-UHFFFAOYSA-N	304.466	1.232	50	20	DDGD	
O=C(COCc1ccccn1)NNc1nccnc1C1CCC1	807779617	OSJAXOLHOFMXPZ-UHFFFAOYSA-N	313.361	1.799	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCc2scnc2C)n1	297033853	HSIMCTVMCWZITO-UHFFFAOYSA-N	306.395	1.727	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)c2ccon2)c1	802116126	QZZAFCVLLJJAPQ-UHFFFAOYSA-N	310.697	1.803	50	20	DDGD	
CC(C)COc1ncc(C(=O)NNc2nc[nH]n2)cc1Cl	816632104	TYDVFWJMCRENPF-UHFFFAOYSA-N	310.745	1.645	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)COc1cc(C)cc(C)c1	812533250	DMCLCIWVEUASPD-KGLIPLIRSA-N	322.405	1.748	50	20	DDGD	
CN(NC(=O)CN1C(=O)COc2ccc(Cl)cc21)C1CC1	819643977	WZDIVUAMYXZSOW-UHFFFAOYSA-N	309.753	1.191	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)CCCC2CC2)c1	812602622	URYGRXNMAOUNHE-UHFFFAOYSA-N	318.373	1.880	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2C[C@@H]3[C@@H](CO)[C@@H]3C2)cc1	816861418	WJYNFFXIVJYHQK-LKMGFHMKSA-N	312.369	1.689	50	20	DDGD	
O=C(NCCc1cn[nH]c1)NNc1ncnc2ccsc12	811932244	JHHHIZJDDASJEY-UHFFFAOYSA-N	303.351	1.283	50	20	DDGD	
O=C(CCc1ncccn1)NNC(=O)c1cc2ccccc2o1	812530615	ZTSXJDJECNREIS-UHFFFAOYSA-N	310.313	1.617	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)c2cc([N+](=O)[O-])ccc2O)C1	819808734	SCHQDXIHMPSEHX-UHFFFAOYSA-N	321.289	1.359	50	20	DDGD	
COc1cc(C(C)=NNC(=O)COCc2ccccc2)on1	814853523	HJVHXPYFKOZROG-UHFFFAOYSA-N	303.318	1.740	50	20	DDGD	
COCCC(COC)=NNC(=O)COc1ccc(C#N)cc1	812223965	UTFBCBMZNWHYEN-UHFFFAOYSA-N	305.334	1.092	50	20	DDGD	
CO[C@@H]1CCC[C@H](C(=O)NNC(=O)COc2cccc(C)c2)C1	814363735	VQNNIHUFZPAROZ-UONOGXRCSA-N	320.389	1.726	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccc(Cl)cc2F)n1	810468693	UQYHEUYSSKFJEP-UHFFFAOYSA-N	318.695	1.821	50	20	DDGD	
CCCN1C(=O)C(=NNC(=O)N=c2cc[nH]cc2)c2ccccc21	815002748	PEUKWGYNNPWYMR-UHFFFAOYSA-N	323.356	1.786	50	20	DDGD	
CCn1ncc(C(=O)NNc2cccc(F)c2C(=O)OC)c1C	822736085	LMEBUCPVIOGOOV-UHFFFAOYSA-N	320.324	1.894	50	20	DDGD	
Cc1ccc2c(c1)O[C@@H](C)CN2CC(=O)NNC(=O)C(C)C	827979054	HPVIPGRSCRQHJV-LBPRGKRZSA-N	305.378	1.386	50	20	DDGD	
CCN(CCO)NC(=O)c1ccn(CCc2ccccc2)n1	823889307	QLKVKHQKSLVLBE-UHFFFAOYSA-N	302.378	1.085	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCCc1cccc(C(=O)NC)c1	491105099	PJOHJHQRMOGNOG-KAMYIIQDSA-N	301.346	1.149	50	20	DDGD	
C#CCNC(=O)[C@H](C)OC(=O)/C(C#N)=C/c1ccc(OC)cc1	822629304	FBCBXLFKWWGFLP-LQELWAHVSA-N	312.325	1.283	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1C[C@H](C)C[C@@H]1c1ccccc1	829764312	ZYPQPGRKAGVQJG-UKRRQHHQSA-N	303.406	1.873	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@H]2CCS[C@H]2C)c1	825551181	FNFLLVSUSUKTCB-AAEUAGOBSA-N	323.418	1.598	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@H]1C[C@@H](O)C1	822490830	SXSKRDRMVNLNKY-KKZNHRDASA-N	312.753	1.026	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCOC3(CCCCC3)C2)cc1	585031017	OJTGLBQDNGBYNN-MRXNPFEDSA-N	303.211	1.338	50	20	DDGD	
O=C(NN=Cc1cccc(OC(F)(F)F)c1)C(=O)NC1CC1	727970896	GDRZXUULVYOBRS-UHFFFAOYSA-N	315.251	1.314	50	20	DDGD	
COc1cccc(NNC(=O)Nc2ccccc2C(=O)O)n1	820871238	QZGZKJILSNPPPN-UHFFFAOYSA-N	302.290	1.937	50	20	DDGD	
CC(C)(C)OC1CC(CCNC(=O)c2ccc(B(O)O)cc2)C1	584981564	DJYMKLIHGNCSRW-UHFFFAOYSA-N	319.210	1.080	50	20	DDGD	
COc1ccc(C=NNC(=O)CN(C)C)cc1OCC(C)C	727649545	LPYINLKGBKOZDH-UHFFFAOYSA-N	307.394	1.742	50	20	DDGD	
CCN(CCO)NC(=O)Cc1csc(-c2cccs2)n1	823838938	YYSUDFSOVHKNFJ-UHFFFAOYSA-N	311.432	1.760	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@]1(C(=O)OC(C)(C)C)CC1(C)C	823913432	ULEKFYJDUXYNSD-BMIGLBTASA-N	300.399	1.088	50	20	DDGD	
C[C@@H]1CC[C@H](CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1	494538684	JDRCZQGWCMIDDC-MNOVXSKESA-N	313.398	1.485	50	20	DDGD	
C[C@H]1SCC[C@H]1NC(=O)NNC(=O)c1cccc(N(C)C)c1	827642425	CEVXHMMPVPSDCH-ZWNOBZJWSA-N	322.434	1.591	50	20	DDGD	
COc1ccc(C)cc1CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C	825595205	OXTHDGXLQDTRAX-AAEUAGOBSA-N	321.377	1.259	50	20	DDGD	
C[C@@]1(C(=O)NCC(=O)Nc2cccnc2)C[C@@H]1Br	906498897	CFPDIIINUPVISS-JOYOIKCWSA-N	312.167	1.310	50	20	DDGD	
CC(=NNC(=O)N=c1cc[nH]cc1)[C@H](C)NC(=O)OC(C)(C)C	497223426	VXQMIQVJTVRWPY-JTQLQIEISA-N	321.381	1.914	50	20	DDGD	
Cc1cc(C(=O)NN(C)[C@@H](C)CO)c(C)n1Cc1ccccn1	823977364	VCDJQFXIMALAFD-ZDUSSCGKSA-N	316.405	1.506	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]32)o1	829831641	QEYKNNPSWPNFNA-TUAOUCFPSA-N	319.361	1.044	50	20	DDGD	
COc1cccc(CN2CC[C@H](B(O)O)C2)c1OC(F)F	585077169	RVKQEWBLPLGPAC-JTQLQIEISA-N	301.098	1.345	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2cscn2)o1	735938910	HNYRKTRMGPKIGI-UHFFFAOYSA-N	320.338	1.192	50	20	DDGD	
COc1cc(C=NNC(=O)Cc2ccccc2F)cc(O)c1O	731320591	NUZAPSSNPVMMJI-UHFFFAOYSA-N	318.304	1.938	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)C[C@H]1C	832895230	YBWMANXPJWSRLY-YIYPIFLZSA-N	316.467	1.551	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CCC[C@H]2OC)c1	838676273	PIEXXUQBSQGYGE-CHWSQXEVSA-N	307.350	1.667	50	20	DDGD	
CCOCCCN(C[C@@H](C)C(=O)OC)S(=O)(=O)CCl	830525398	ZXCZGLOSWKJNHR-SNVBAGLBSA-N	315.819	1.050	50	20	DDGD	
Cc1ccc(CNC(=O)[C@@]2(C)C[C@H]2Br)c(=O)n1C	907800330	JFCLLKQSNOIMBQ-MFKMUULPSA-N	313.195	1.483	50	20	DDGD	
CC(=O)N1CC[C@H](CN(C)C(=O)[C@]2(C)C[C@H]2Br)C1	907124007	OGCHKVFCKANAKF-NQBHXWOUSA-N	317.227	1.487	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=Cc1cccc(F)c1F	730728378	TUVLMOILSCYPLG-UHFFFAOYSA-N	323.324	1.906	50	20	DDGD	
COc1ccc(C=NNC(=O)c2cnccn2)cc1[N+](=O)[O-]	730144896	KFJZSNGAVWILNA-UHFFFAOYSA-N	301.262	1.157	50	20	DDGD	
O=C(NNc1cccnn1)C1=NN(c2ccccc2)C(=O)CC1	736711085	UBSHBLYVUFAGIM-UHFFFAOYSA-N	310.317	1.103	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)cc1C	905096212	VJKAYANNPREGQL-FPMFFAJLSA-N	317.414	1.846	50	20	DDGD	
CCc1cc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)ccc1F	831793650	WQWAIPQYANBUKH-CABZTGNLSA-N	309.341	1.966	50	20	DDGD	
O=S(=O)(CCl)N1CC[C@@]2(CCc3ccccc3O2)C1	831582992	MQLIIHYIJYJBLY-ZDUSSCGKSA-N	301.795	1.982	50	20	DDGD	
Cc1ccc2c(c1C)OC[C@@H]2NCc1ccc(B(O)O)cc1F	585016599	RWNAXSBGEQMWJL-INIZCTEOSA-N	315.153	1.346	50	20	DDGD	
C[C@]1(C(=O)N2CCC(OCCO)CC2)C[C@@H]1Br	907139368	OMRGMGZBMPSVTR-JQWIXIFHSA-N	306.200	1.160	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CCSC2)c1F	838495843	KGUYBKBHFUBTMU-MRVPVSSYSA-N	313.354	1.744	50	20	DDGD	
O=C(NCB(O)O)c1cc(-c2ccc(Cl)cc2Cl)on1	585063379	YRQMQPURXUFNFO-UHFFFAOYSA-N	314.921	1.390	50	20	DDGD	
O=C(COCc1nc2ccccc2s1)NNC(=O)C1CCC1	732143223	XNIARLWLHDVAAK-UHFFFAOYSA-N	319.386	1.760	50	20	DDGD	
CC(C)[C@H](NC(=O)NNC(=O)[C@H]1CCCCO1)C(F)(F)F	836417499	APPAHTFJIARFPW-BDAKNGLRSA-N	311.304	1.473	50	20	DDGD	
CCOCCCNC(=O)NNc1cccc(C(=O)OC)c1F	837326913	NPKCYWZDAYJEQX-UHFFFAOYSA-N	313.329	1.665	50	20	DDGD	
CC(=NNC(=O)c1ccc[nH]1)c1ccccc1OCC(=O)O	833385384	XHNFLXBRCFEPFM-UHFFFAOYSA-N	301.302	1.632	50	20	DDGD	
Cc1ncc(C(=O)NNC(=S)Nc2cccc(C)c2C)[nH]1	732266478	DKRYITAALLLEGR-UHFFFAOYSA-N	303.391	1.966	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Cc1ccc(-n2cccc2)cc1	731853248	VRSNKXOHAVEWFZ-UHFFFAOYSA-N	323.356	1.513	50	20	DDGD	
Cc1ccc2c(c1)[C@@H](NCc1ccc(B(O)O)cc1F)CO2	585027922	ASKKNLKKRMEENK-HNNXBMFYSA-N	301.126	1.037	50	20	DDGD	
Cc1nc(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)cs1	737473201	AAQQUIKMVHTCCK-UHFFFAOYSA-N	313.346	1.396	50	20	DDGD	
Cc1c(NNC(=O)NC[C@]2(C)CCC(=O)N2)cccc1[N+](=O)[O-]	838732837	HJCYGCMUXNIUQT-AWEZNQCLSA-N	321.337	1.198	50	20	DDGD	
CC(=O)Nc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	831127184	FSHBZIKMGGSGRQ-ZANVPECISA-N	320.349	1.223	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CSc1ccccc1[N+](=O)[O-]	745146093	KAIJNRFYODISQZ-UHFFFAOYSA-N	312.351	1.426	50	20	DDGD	
O=C(NNC(=O)Nc1ccc2c(c1)OCO2)Nc1cccnc1	743810001	ASPJYIMOWUZQQP-UHFFFAOYSA-N	315.289	1.669	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)C1(c2ccc(F)cc2)CCOCC1	910169700	VPCQTKJYHAAXSC-GFCCVEGCSA-N	310.369	1.218	50	20	DDGD	
C[C@H](OCc1ccccc1)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843648826	ZMPFMQCEWUXMOU-MBNYWOFBSA-N	306.362	1.164	50	20	DDGD	
C[C@H](COCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccccc1	844620317	SRWPAHRHLVHGMX-UMVBOHGHSA-N	320.389	1.379	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(-c2ccco2)nc1O	743901126	XDNUCNAWYMRPNC-UHFFFAOYSA-N	318.333	1.791	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@@H]1COCc2ccccc21	842187600	BKILHSBAXPAKQQ-KGLIPLIRSA-N	319.361	1.157	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1ccccc1F	916362036	HNZFAIZYVFIJIX-LBPRGKRZSA-N	307.369	1.634	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@H](C(=O)OC)[C@@H]1CCC[C@H](OC)C1	844267339	BSLVPRMHBMCBHK-NAMOHLMMSA-N	324.377	1.293	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1cn(-c2cccnc2)nn1	848084102	VCCGRLAYLMRYNW-UHFFFAOYSA-N	300.149	1.538	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNc1ccc(Cl)nn1)C(=O)O	848587748	KWSJVKLTNMUSGX-SSDOTTSWSA-N	301.734	1.113	50	20	DDGD	
N#Cc1ccc(NNC(=O)Cn2cccn2)cc1C(F)(F)F	746897398	XUIIDOBFBAOYAM-UHFFFAOYSA-N	309.251	1.917	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1ccccc1O)CC(F)(F)F	840434546	XRUZLPAICPMXSL-MRVPVSSYSA-N	319.283	1.925	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1nnc(C(C)(C)C)s1	843970257	CRESBSMAILZRPC-YUMQZZPRSA-N	312.395	1.022	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H]1CCc2ccccc2NC1=O	847395944	ANDQLTWVYKQFSN-CYBMUJFWSA-N	318.377	1.316	50	20	DDGD	
CCC(=NNC(=O)CNC(=O)c1cccnc1)[C@H]1CC1(C)C	841629372	STMIASOGLMICAS-GFCCVEGCSA-N	302.378	1.740	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1c(C(F)(F)F)nc2ccccn12	841376802	WBDACPURRRHUII-UHFFFAOYSA-N	314.267	1.770	50	20	DDGD	
CCn1ccc(C(=O)NNC(=O)CSc2ccc(C)cc2)n1	843753771	LFRGFVXDTCWHAA-UHFFFAOYSA-N	318.402	1.765	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(C)(C)Oc1ccc(F)cc1	843649810	XQQDDXKXOBAARD-GXFFZTMASA-N	324.352	1.556	50	20	DDGD	
C[C@@H]1O[C@H](C)C[C@@H]1CNC(=O)NNc1ncc(F)cc1F	840430231	LWMGHADFJWVRLL-HRDYMLBCSA-N	300.309	1.799	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NNC(=S)NCC1CCC1	912105607	GJOWMUXNPVEZRG-RNCFNFMXSA-N	321.450	1.371	50	20	DDGD	
NC[C@@H]1CC[C@@H](NC(=O)NNC(=O)CCc2ccccc2)C1	842010803	ODHNTFOLOFPMHP-ZIAGYGMSSA-N	304.394	1.077	50	20	DDGD	
Cc1cc(C)n([C@H](C)CC(=O)NNC(=O)NC2CCCC2)n1	744053188	FQQVSFOECISTBT-GFCCVEGCSA-N	307.398	1.724	50	20	DDGD	
C=C(CBr)COC(=O)CNC(=O)N1CCCC1	923011751	NMFHWNZHVFXUFQ-UHFFFAOYSA-N	305.172	1.286	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ncccc2F)[C@H]2CCCC[C@@H]2N1	854416479	SVMVESKAUMNYMS-SCVCMEIPSA-N	306.341	1.359	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cccc(NC(=O)C2CC2)c1	755639114	SZAFTCCSOQRZDC-UHFFFAOYSA-N	320.349	1.224	50	20	DDGD	
CC[C@@H](C)c1ccc(C(=O)NNc2ccc(C(N)=O)nn2)cc1	757408662	WYKAQFVTQBVTPI-SNVBAGLBSA-N	313.361	1.846	50	20	DDGD	
CN1C(=O)CC[C@@H]1CC(=O)NNc1cc(C(F)(F)F)ccn1	854678093	RRYKYCBTPDZTQX-SECBINFHSA-N	316.283	1.554	50	20	DDGD	
COc1cccc(F)c1C(=O)NNC(=S)N[C@@H](C)C1CC1	855100391	ARZWSCPGUSUCNN-QMMMGPOBSA-N	311.382	1.742	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(Cl)cc(F)c1N	857539740	BCBLXQARLWMCHQ-UHFFFAOYSA-N	311.704	1.617	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1ccc(F)cc1F	750938544	GSARBJGDLAUCLR-UHFFFAOYSA-N	307.256	1.438	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1Cl)N(C)C	750605619	GFIRMFDQHVBUQV-ZETCQYMHSA-N	304.177	1.705	50	20	DDGD	
O=C(Cn1cccn1)NNC(=S)Nc1cccc(Cl)c1	920423319	NEUNOVRSXNQCHZ-UHFFFAOYSA-N	309.782	1.554	50	20	DDGD	
CC(C)(C)[S@@](=O)CCNC(=O)NNc1ncc(Cl)cn1	856866313	VNVONOXISXAHFW-FQEVSTJZSA-N	319.818	1.303	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C[C@H]1C[C@@H]1c1ccccc1	755680097	YIBYLPLKCLUXOH-ZIAGYGMSSA-N	311.341	1.915	50	20	DDGD	
CC(=O)N1CC[C@@H](NC(=O)NNc2c(C)cccc2Cl)C1	856968087	CYHZBOVCGLBWNP-LLVKDONJSA-N	310.785	1.895	50	20	DDGD	
COc1ccc(C(F)(F)C(=O)NNC(=O)c2ccccn2)cc1	755376330	NNXLOUYNCGYWJP-UHFFFAOYSA-N	321.283	1.643	50	20	DDGD	
CCC(=NNC(=O)C(=O)NC1CC1)c1cc(C(=O)O)ccc1F	756875468	GHDZZKRGUVQYFD-UHFFFAOYSA-N	321.308	1.033	50	20	DDGD	
O=C(CN1C[C@H]2CCCC[C@H]2C1)NNC(=O)c1cccs1	750062518	OHESSRJDIHHGLS-TXEJJXNPSA-N	307.419	1.631	50	20	DDGD	
CC[C@H](C)N(CC)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	852292975	KGGPCBGBGGOJMD-NSHDSACASA-N	322.365	1.476	50	20	DDGD	
CSC(C)(C)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	854216686	CSLRLFWHXLVQMS-SECBINFHSA-N	314.382	1.882	50	20	DDGD	
COC[C@@H](NC(=O)NNc1cc(F)ccc1F)[C@@H]1CCCO1	922251773	ZDMGBIZNCOBGKV-OLZOCXBDSA-N	315.320	1.785	50	20	DDGD	
CN1CCC(CNC(=O)NC[C@]2(C)C[C@H]2Br)CC1	856858211	SBSQOUPQPMDFRG-YPMHNXCESA-N	318.259	1.801	50	20	DDGD	
CC(=O)N1C[C@@H](C(=O)NCCCSC#N)Oc2ccccc21	854363078	LGKRJCGEOJOBSD-AWEZNQCLSA-N	319.386	1.521	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2cccnn2)C[C@@H]1Br	856898736	FSDQOZOXIBINAI-XVKPBYJWSA-N	300.160	1.276	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc(F)c(F)c(O)c1F	755165137	YRLHKPXALYUEKB-UHFFFAOYSA-N	303.240	1.164	50	20	DDGD	
CCC[C@@H]1CN(C(=O)NNC(=O)c2cccc(F)n2)CCO1	852709302	RCYVCWAVWYYBDU-SNVBAGLBSA-N	310.329	1.076	50	20	DDGD	
CCC(F)(F)C(=O)NNC(=O)COc1ccccc1OC	854190980	PYMKYHKLAWNOAO-UHFFFAOYSA-N	302.277	1.267	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cc(Cl)ccc1Cl	753695037	LKIKWXNZMAXZMC-UHFFFAOYSA-N	302.161	1.968	50	20	DDGD	
COc1cc(C)cc(C(=O)NNC(=S)N[C@H](C)C2CC2)c1O	855098582	JNTNLPCJBHUNNP-SECBINFHSA-N	323.418	1.617	50	20	DDGD	
COc1cc(C)ccc1CNC(=O)NNC(=O)CC(F)(F)F	757745867	LUCPDEYOFHHRJP-UHFFFAOYSA-N	319.283	1.786	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNc1ccc(-c2ccccc2)nn1	754472636	YKDSHHANYWSPBR-LLVKDONJSA-N	313.361	1.501	50	20	DDGD	
CCn1ccc(CC(=O)NC[C@]2(C)C[C@@H]2Br)n1	857385426	HVZGEEGFBZYUOU-JQWIXIFHSA-N	300.200	1.735	50	20	DDGD	
CCC[C@@H](CNC(=O)NNC(=O)[C@@H]1CCCCO1)OCC	858683922	YHUNNCYIJABYHS-RYUDHWBXSA-N	301.387	1.091	50	20	DDGD	
CC(=O)N[C@@](C)(C(=O)NNC(=O)Cc1ccccc1F)C(C)C	932378317	SRMDBQHJXHBDOW-MRXNPFEDSA-N	323.368	1.066	50	20	DDGD	
COCCOc1ccccc1C=NNC(=O)N1CCOCC1	751526714	PFJAFTMYZJWXHD-UHFFFAOYSA-N	307.350	1.088	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2CCn3ccnc3C2)C[C@@H]1Br	857385136	DRMIDZYEEBUZHQ-OUJBWJOFSA-N	312.211	1.735	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CCC[C@H]2OC)c1C	854111736	HZQOSQVEDXOZSK-ZIAGYGMSSA-N	321.377	1.975	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)C(F)(F)C1(O)CCC1	855622210	AQTRYLWWYZRYCE-UHFFFAOYSA-N	319.239	1.727	50	20	DDGD	
C[C@]1(CNC(=O)N2CC([C@H]3CCOC3)C2)C[C@H]1Br	856956191	VJGVDVLCHAHGFV-UFGOTCBOSA-N	317.227	1.838	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C[C@H]1CCOc2ccccc21	752162488	DIQBDNMVUIBLRN-GFCCVEGCSA-N	301.346	1.277	50	20	DDGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1cn(C2CC2)nn1	863895173	QBKZXGDUOYZPDL-UHFFFAOYSA-N	318.284	1.845	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)Oc1ccccc1CC(N)=O	866984569	UFQRMZRDGXDDGX-UHFFFAOYSA-N	319.810	1.688	50	20	DDGD	
COCCOc1ccc(NC(=O)NN=c2cc[nH]c(C)c2)cc1	860409432	OJNLUGIVDGAZFW-UHFFFAOYSA-N	316.361	1.986	50	20	DDGD	
COC(=O)CCc1ccc(NCc2ccc(B(O)O)cc2)cc1	864005177	JSFMNFZCJZYZGV-UHFFFAOYSA-N	313.162	1.084	50	20	DDGD	
CCc1noc(C2CCC(=NNC(=O)c3cn[nH]c3)CC2)n1	863155121	XSAOJVYPHGTCSL-UHFFFAOYSA-N	302.338	1.799	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](O)[C@H](C)c1ccccc1F	868894813	VHUQXSQFTGZOPB-SKDRFNHKSA-N	320.324	1.232	50	20	DDGD	
Cc1nccc(CCC(=O)NNCC(F)(F)C(F)(F)F)n1	863098734	CHNNDFRKRSOXIT-UHFFFAOYSA-N	312.242	1.536	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1nn(C)c2ccccc12)C1CC1	862150328	NRGAFXDJNOJFLO-VIFPVBQESA-N	317.418	1.481	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C1CN(C(=O)OC(C)(C)C)C[C@H]1C	863093990	JQQCWZCTSJUWSX-SECBINFHSA-N	321.381	1.691	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C\c1cn(C[C@@H]2CCCO2)nn1	865223592	JKICRMKBPVKASM-BPLGCGBFSA-N	310.379	1.146	50	20	DDGD	
COc1cc(C(=O)NNC(=O)COc2cc(C)cc(C)c2)on1	763835046	VAUAUIHAHJOPRC-UHFFFAOYSA-N	319.317	1.140	50	20	DDGD	
CO[C@@H](C)CCNC(=O)NNc1ccccc1S(C)(=O)=O	765753333	FHTWXEWRMQWEOB-JTQLQIEISA-N	315.395	1.141	50	20	DDGD	
O=C1NCCC[C@@H]1C(=O)NNc1ncc(Cl)cc1Cl	867493878	QOCFARZJLXWRJI-ZETCQYMHSA-N	303.149	1.358	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccc(F)c2ccccc12	869905975	HCYIEQYFFDLAIW-UHFFFAOYSA-N	320.320	1.403	50	20	DDGD	
CC(=O)CCCC(=O)NNC(=O)COc1ccc(C)c(C)c1	768343049	AWZZEGPJMMQUTB-UHFFFAOYSA-N	306.362	1.589	50	20	DDGD	
Cc1nn(C)c(=O)c(C(=O)NNc2c(F)cccc2F)c1C	765198209	KICNSGBALDGFPK-UHFFFAOYSA-N	308.288	1.432	50	20	DDGD	
Cc1ncoc1C(=O)NNC(=O)CSc1ccccc1O	765248010	CXZFTEURLMPVKY-UHFFFAOYSA-N	307.331	1.242	50	20	DDGD	
CC[C@@H](C)[C@@H](CNC(=O)NNC(=O)c1ccc(OC)cc1)OC	1117809569	SFAQTWZPRNWZJB-BXUZGUMPSA-N	323.393	1.700	50	20	DDGD	
COCC(=O)NN=C1C(=O)Nc2c(Cl)cc(Cl)cc21	761819660	YJWJMSKKFAGWME-UHFFFAOYSA-N	302.117	1.412	50	20	DDGD	
CC(C)(SCC(=O)O)C(=O)NC[C@@]1(C)C[C@@H]1Br	872883427	PDOKRNVTIZXBOU-WRWORJQWSA-N	324.240	1.873	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2ccc(O)cc2)oc1C	767036704	HRLYMKZBYJNIME-UHFFFAOYSA-N	302.286	1.844	50	20	DDGD	
Cc1nn(CC(=O)NNC(=O)c2ccc[nH]2)cc1-c1ccccc1	767461228	HEQQPXHPLCXKKZ-UHFFFAOYSA-N	323.356	1.648	50	20	DDGD	
O=C(NN=Cc1cc(F)cc2cccnc12)C(=O)N1CCCC1	760254276	NZVRXQHWLSTHJE-UHFFFAOYSA-N	314.320	1.446	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccnn1C1CCCC1	765422044	YGGLTJTUGTXQTP-UHFFFAOYSA-N	313.361	1.397	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCCNc2ccccc21	774387274	AEVBDTJKQGVFBI-LBPRGKRZSA-N	305.378	1.764	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cccc([C@H]2CCC(=O)N2)c1	879891789	WLGVYHMCEHIDNP-LLVKDONJSA-N	306.322	1.372	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccnc(C(F)(F)F)c1	875632812	ISXPKSGDZVEYSJ-UHFFFAOYSA-N	306.244	1.513	50	20	DDGD	
C=Cn1cc(C=NNC(=O)c2cccc(S(C)(=O)=O)c2)cn1	773033180	FHFZBEPBZCTFIP-UHFFFAOYSA-N	318.358	1.151	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@@H](OCC2CC2)C1	778178072	XZDKIQMQPHRUDG-CYBMUJFWSA-N	311.426	1.071	50	20	DDGD	
C[C@@]1(CNC(=O)N2CCC[C@H](C(=O)O)C2)C[C@@H]1Br	874407950	JDWYDPJRMDEQQS-AUTRQRHGSA-N	319.199	1.666	50	20	DDGD	
N#CSCCCNC(=O)c1ccc(CN2CCOCC2)o1	879879649	HOMMYSKEMCRHTR-UHFFFAOYSA-N	309.391	1.446	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1nc(C)c(C)s1	772519171	VXGODICTOOSANW-UHFFFAOYSA-N	304.466	1.232	50	20	DDGD	
N#CSCCCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1	774296082	DHVLVPDXRYTZMU-UHFFFAOYSA-N	322.346	1.045	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)N[C@@H]1CCn2ccnc2C1	777667282	NURPWEWISFNCCX-SNVBAGLBSA-N	306.757	1.573	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1c(O)cccc1F	771884202	YWSIVTUUHHJVIF-UHFFFAOYSA-N	322.267	1.510	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H]1CCOC(C)(C)C1	1120714129	FGFXMYLYMJFHJT-SECBINFHSA-N	305.469	1.050	50	20	DDGD	
CC[S@@](=O)c1ccccc1C(=O)NNC(=O)C1CCOCC1	883061139	KAFOGKYBCALFST-JOCHJYFZSA-N	324.402	1.002	50	20	DDGD	
COC(=O)[C@@H](C)n1cccc1C=NNC(=O)c1ccc(C#N)cc1	774585591	DTFFLZYAXUDPPM-GFCCVEGCSA-N	324.340	1.858	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(F)c1	880318256	CRVCBGYXTJIACV-PSASIEDQSA-N	311.313	1.412	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)OC[C@@]2(C)C[C@@H]2Br)C1	1123039400	NVGNSRLTNLIZHX-GMXVVIOVSA-N	318.211	1.962	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)C1CCOCC1)C1CCCC1	883531314	LOHRLRWYKYPBLS-UHFFFAOYSA-N	311.426	1.960	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)[C@@H]1CCCOC1	780041905	ACUGAAUJNGJFGL-DGCLKSJQSA-N	323.368	1.514	50	20	DDGD	
Cc1noc(CCCNC(=O)NNc2ncncc2Cl)n1	780976922	CGRACNJLUHKTPA-UHFFFAOYSA-N	311.733	1.080	50	20	DDGD	
CC(=NNC(=O)COc1cccc(C)c1)c1cc(C)nn1C	788951059	GSLZMPRDTBRRHI-UHFFFAOYSA-N	300.362	1.956	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)NCc1ccc(Cl)cc1	787436341	XQEVRVCGDHJKAT-UHFFFAOYSA-N	321.768	1.701	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@H](O)C1CCCCC1	783619209	PXPRUEUZIMGFDA-OAHLLOKOSA-N	308.353	1.457	50	20	DDGD	
Cc1cc(C)c(CNC(=O)NNC(=O)c2cccnn2)c(C)c1	883233621	MWNZRYYGGVRWKE-UHFFFAOYSA-N	313.361	1.546	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CC(OCC(F)F)C1	787414214	OQSDLFAHPKZSTB-WZUFQYTHSA-N	308.284	1.792	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N2CCOCC2)c(Cl)c1C	783046787	OFLJUZJKNXVVDE-UHFFFAOYSA-N	311.769	1.643	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2	783536663	AJHFGDFYBNQGEG-COPLHBTASA-N	306.337	1.788	50	20	DDGD	
C/C=C(/CC)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1	789240728	ZTTILWDHCFWCBA-BASWHVEKSA-N	315.329	1.219	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1cccc(C(F)F)c1	780365817	FTJWBCFQBPVUNU-UHFFFAOYSA-N	306.334	1.980	50	20	DDGD	
CC1(C)CCN(CCNC(=O)NNC(=O)c2ccccc2F)C1	898593307	YMOAOVLIOHJDKE-UHFFFAOYSA-N	322.384	1.502	50	20	DDGD	
CN(C)c1ccccc1NC(=O)C(=O)NN(C)c1ccccc1	783434810	VNCXNUIBXGZOTB-UHFFFAOYSA-N	312.373	1.859	50	20	DDGD	
C[C@@H]1CCCc2ncc(C(=O)NNC(=S)NC(C)(C)C)n21	899998866	XIYLAPUVODQNGS-SECBINFHSA-N	309.439	1.688	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ccn(-c2ncccc2F)n1	782591981	DPDUVERPHIQJCC-UHFFFAOYSA-N	318.312	1.359	50	20	DDGD	
Cc1nn(C)cc1C1=NO[C@H](C(=O)NN(C)c2ccccc2)C1	891814327	MNUZUSDRLHKXQU-HNNXBMFYSA-N	313.361	1.389	50	20	DDGD	
C[C@@H]1CCCC[C@H]1C=NNC(=O)CNC(=O)c1cccnc1	783853925	IKTBQSRXHAMXMA-OLZOCXBDSA-N	302.378	1.740	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1)c1coc(C)n1	788976735	GWGPKBPDWNUPIX-SDDRHHMPSA-N	322.409	1.569	50	20	DDGD	
COc1cc(C=NNC(=O)N(C)C)ccc1OCCC(=O)O	783837982	SGXGHXRKFPZSKM-UHFFFAOYSA-N	309.322	1.154	50	20	DDGD	
O=C(COC(F)F)NNC(=O)c1cc(-c2ccccc2)[nH]n1	794608800	MPNHLFUVBAIAFV-UHFFFAOYSA-N	310.260	1.077	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc(OC)cc1F	790393950	MJJPLFQYXZTSDI-QMMMGPOBSA-N	304.343	1.190	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2O)ccn1	790562829	WJANCSBSRLVSGV-UHFFFAOYSA-N	305.721	1.824	50	20	DDGD	
C=C(CBr)COC(=O)c1nc2nccc(C)n2n1	795351818	FGNLGIFYYHVMPS-UHFFFAOYSA-N	311.139	1.541	50	20	DDGD	
COc1cc(C)cnc1C(=O)NNC(=O)c1c[nH]c2ccccc12	792575148	PSGRZRZPTYLKSQ-UHFFFAOYSA-N	324.340	1.955	50	20	DDGD	
COC(=O)N(C)N=C1C(=O)Nc2ccc(Br)cc21	794958330	YZVXIDWREUJHGV-UHFFFAOYSA-N	312.123	1.804	50	20	DDGD	
C[S@@](=O)C1(CNC(=O)[C@@H](Br)C(C)(C)C)CC1	799774609	DZDWPWYEDQGYAX-VPTHRUTESA-N	310.257	1.823	50	20	DDGD	
CO[C@@H]1CCC[C@H](CC(=O)NNC(=S)N[C@H](C)C2CC2)C1	798127343	HNUQDXDWDRUNAW-NTZNESFSSA-N	313.467	1.876	50	20	DDGD	
CSSCCNC(=O)Nc1cnn(CC(=O)N(C)C)c1	794210892	VWHRUMGDSTWNBG-UHFFFAOYSA-N	317.440	1.104	50	20	DDGD	
COCc1cc(C=NNC(=O)NCCc2cccs2)no1	794903369	HADJQXODYJMQRV-UHFFFAOYSA-N	308.363	1.758	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)COc2ccccc2F)cn1	794612865	GVPIKJMZYGDDKI-UHFFFAOYSA-N	318.308	1.102	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21	795586364	DCEVGSZWFCCULN-MGPQQGTHSA-N	311.426	1.960	50	20	DDGD	
CCOC(=O)[C@H](NNC(=O)c1cccc(C)n1)c1ccccc1	795470224	ZZMJHXVIOWGKPO-OAHLLOKOSA-N	313.357	1.929	50	20	DDGD	
CN(CCC(=O)NNC(=O)Cc1cccnc1)C1CCCCC1	791128365	XRHMCAAOPMSVLI-UHFFFAOYSA-N	318.421	1.426	50	20	DDGD	
Cc1cc(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)n[nH]1	798130038	GJOKAJCKDZPNRG-UHFFFAOYSA-N	302.338	1.569	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCC(F)(F)C1	796370970	OLLNAKVHYCPWIK-NXEZZACHSA-N	320.336	1.547	50	20	DDGD	
CSCC[C@H](C)N(C)CC(=O)NNC(=O)c1cccs1	777617452	LICHOZUXIJNFBK-JTQLQIEISA-N	315.464	1.583	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cccc(CN2CCCC2)c1	1317974427	METRVXWIFLGESC-UHFFFAOYSA-N	320.462	1.800	50	20	DDGD	
CCc1ccc(C(C)(C)CNC(=O)NNC(=O)C(=O)OC)cc1	1319032515	CLMXGUALQFRZOG-UHFFFAOYSA-N	321.377	1.030	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCc2ccc(C)o2)cc1	1317891443	WPMDXJGEBFWZNJ-UHFFFAOYSA-N	317.345	1.783	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1ccc(C(C)(C)C)nn1	1321243745	MFCYOCVDYSQXCT-UHFFFAOYSA-N	307.398	1.524	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C(C)(C)Oc1ccc(F)cc1	1321515732	QMNSNGFMYRALHX-UHFFFAOYSA-N	313.398	1.887	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)CNC(C)(C)C)c1	1326341684	DPWPKDUVJOALHO-UHFFFAOYSA-N	307.398	1.611	50	20	DDGD	
Cc1c(C#N)cccc1C(=O)NNC(=O)OCC(F)(F)F	1330965326	CBOSBYJCFJQPHA-UHFFFAOYSA-N	301.224	1.800	50	20	DDGD	
O=C(CCO)NN=Cc1ccc(OC(F)F)cc1OC(F)F	1330902935	MRBAXJAFFNKDQN-UHFFFAOYSA-N	324.230	1.722	50	20	DDGD	
Cc1ccc(C(=O)NCC(=O)NN=c2cc[nH]cc2Cl)s1	1338056656	GMMXXXBGCHXVJW-UHFFFAOYSA-N	324.793	1.400	50	20	DDGD	
COc1c(Br)cccc1C=NNC(=O)CCO	1338291225	CSOGWIUBSGAWOK-UHFFFAOYSA-N	301.140	1.290	50	20	DDGD	
CN(C)c1cccc(C(=O)NNc2nncc(N)c2Cl)c1	1333607914	XRDWLCCLYDHQKL-UHFFFAOYSA-N	306.757	1.535	50	20	DDGD	
O=C(NNC(=O)c1ncc2n1CCCC2)c1ccccc1Cl	1261846099	ZGUVZCJFDREQPF-UHFFFAOYSA-N	318.764	1.948	50	20	DDGD	
C[C@@H]1c2ccccc2OCCN1C(=O)NNC(=O)c1cn[nH]c1	1261791889	DUUSLKJXNGYDCV-SNVBAGLBSA-N	315.333	1.220	50	20	DDGD	
Cc1n[nH]cc1CCCNC(=O)NNc1nncc(N)c1Cl	1340516904	RVCXICJMUMYQPY-UHFFFAOYSA-N	324.776	1.003	50	20	DDGD	
Cc1cc(=NC(=O)NNc2cccc(C(=O)O)c2)c(C)c[nH]1	1600270637	IANQXLDHEDPGDY-UHFFFAOYSA-N	300.318	1.967	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNc2ccc(C(=O)O)c(F)c2)n1	1600178992	PXYWUUYJUMDLOC-UHFFFAOYSA-N	306.297	1.481	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1	1609239758	VNHPRWIZJIVOMG-ZRDIBKRKSA-N	324.344	1.416	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1CCC1	1603019683	NRAGHCPCGTWJFW-SSDOTTSWSA-N	321.772	1.794	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1	1600310776	XZXYBZHGXMEZEC-OLZOCXBDSA-N	315.329	1.619	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNc2cccc(F)c2C(=O)O)n1	1607891146	DJEFOSGRYTWCDF-SECBINFHSA-N	320.324	1.808	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNc2ccnc(N(C)C)n2)c1	1600110244	OEFJLOLQEWPIPY-UHFFFAOYSA-N	315.333	1.306	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)/C=C/C1CCOCC1	1607139888	FDBYFCKNOGRNOU-GORDUTHDSA-N	320.345	1.819	50	20	DDGD	
CS/C=C\C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1609370895	YLSKBTYUFBXLHJ-PLNGDYQASA-N	310.770	1.840	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cccc3nc(O)[nH]c23)c1	1602450486	XMAQVIJDZRCHLJ-UHFFFAOYSA-N	312.285	1.724	50	20	DDGD	
CON1CCC(C(=O)NNc2cccc(C(=O)O)c2C)CC1	1606995199	QQXRETFMWWFQCC-UHFFFAOYSA-N	307.350	1.410	50	20	DDGD	
COc1ccc(C=NNC(=O)NCC(=O)O)c(Cl)c1OC	1610327953	IBPPRKWOCJLIBE-UHFFFAOYSA-N	315.713	1.075	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1C[C@@H](N)C1(C)C	1576294274	FYXUMMJLBLEGFH-OUJBWJOFSA-N	323.368	1.114	50	20	DDGD	
CC1(C)NCC[C@@H]1NS(=O)(=O)c1ccc(CCCl)cc1	1576489423	OJLNFRKSHYNDRJ-ZDUSSCGKSA-N	316.854	1.887	50	20	DDGD	
CC[C@@H](C)[C@@H](NNC(=O)[C@H]1OCC[C@H]1c1ccccc1)C(=O)O	1594921200	ONIQQPVFCLYHEM-BEAPCOKYSA-N	320.389	1.679	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)[C@H]1CO[C@H](CCC(=O)O)C1	1594405008	PQFMOWCDQLBUQP-GHMZBOCLSA-N	310.325	1.847	50	20	DDGD	
Cn1cnc(/C=C(/C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)c1	1592587243	JOANCOGZGSWUAP-SDQBBNPISA-N	305.301	1.390	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2ccc(C(=O)O)cc2F)[C@@H](C)O1	1594258428	SXVIGYUYJNSGGY-RWYTXXIDSA-N	311.313	1.716	50	20	DDGD	
COC(=O)c1cc(OC(=O)C2(C(=O)O)CCC2)ccc1[N+](=O)[O-]	1593880761	ADFKHYJXIWBALG-UHFFFAOYSA-N	323.257	1.542	50	20	DDGD	
COCCCS(=O)(=O)/C(C#N)=C/c1cncc(C(=O)O)c1	1777207099	QAUPVCHGLCOODW-WUXMJOGZSA-N	310.331	1.096	50	20	DDGD	
Cc1c(C(=O)O)oc2c1C(=NNC(=O)C[N+](C)(C)C)CCC2	1776011751	LCMXGXMHVAYCTQ-UHFFFAOYSA-O	308.358	1.149	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2ccccc2F)c1	5512841	ULVWPTWMZJTMNV-UHFFFAOYSA-N	302.305	1.974	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccc(O)nc2)cc1C	14139309	RXSDNGZZHCGXAS-UHFFFAOYSA-N	315.329	1.244	50	20	DDGD	
COCCCn1ccc(NC(=O)NNc2ccc(C#N)cc2)n1	160585751	GBKGZIBFLLRDOT-UHFFFAOYSA-N	314.349	1.940	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccc(F)cc1)[C@H]1CCSC1	160684257	CBWQJZRYZVDIIH-LBPRGKRZSA-N	311.382	1.024	50	20	DDGD	
CC(C)(O)CNS(=O)(=O)c1ccc(CCCCl)cc1	160990213	KMZGDVFBVILRBH-UHFFFAOYSA-N	305.827	1.907	50	20	DDGD	
CC[C@@H](C(=O)NNc1cc(F)cc(OC)c1)N1CCCC1=O	156435406	OLZVAZWQRVTMDA-ZDUSSCGKSA-N	309.341	1.678	50	20	DDGD	
Cc1nc2ccccc2cc1C(=O)NNc1ccc(C(N)=O)nn1	154319392	RWRRYUZPSMUTFA-UHFFFAOYSA-N	322.328	1.189	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)OC(C)(C)C)c(F)c1	154819625	BJDCSHMQDMJFEW-UHFFFAOYSA-N	304.343	1.852	50	20	DDGD	
O=C(Cc1cccc(Br)c1)NNc1ncccn1	159627593	YHMIFPLNVCMJCF-UHFFFAOYSA-N	307.151	1.925	50	20	DDGD	
CCCC(=O)NC[C@@H]1CCCN(C(=O)/C(C#N)=C/OCC)C1	159323510	OYUPGVPCEAZJLE-REQDGWNSSA-N	307.394	1.585	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCC(F)(F)[C@H](CO)C1	404066531	VLULFRJFQQRUIV-VIFPVBQESA-N	305.774	1.285	50	20	DDGD	
Cn1ccnc1[C@@H]1CCN(CCI)C1	846839022	SUEBIKACZVRCPI-SECBINFHSA-N	305.163	1.644	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc3c(c2)CCC3)n1	7888999	KCHWQMSXXBNSIC-UHFFFAOYSA-N	312.373	1.450	50	20	DDGD	
O=C(CCCc1ccc(Cl)cc1)NNC(=O)Cc1cc[nH]n1	106417301	NFFICJXOLZBHDD-UHFFFAOYSA-N	320.780	1.776	50	20	DDGD	
C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)NNc2ncccn2)C1	54727375	OJWUTDZIJNDVBI-CHWSQXEVSA-N	320.441	1.859	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCc2c[nH]c3ccccc23)cn1	117683555	YCEDLXYYHJIOLK-UHFFFAOYSA-N	311.345	1.295	50	20	DDGD	
O=C(NNc1cnccn1)c1ccnc(OCC(F)(F)F)c1	173600972	MICRSEKTGAAORT-UHFFFAOYSA-N	313.239	1.570	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNC(=O)[C@H](CC)c1ccccc1	110342420	DRUHSVUVLBSEBV-DZGCQCFKSA-N	322.405	1.769	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CCc2ccccc2O)c1	106288585	IOURWBUSKMDRQM-UHFFFAOYSA-N	314.341	1.795	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@H](C)OCC2CC2)cc1	64739833	VFFPCWWPGWQERP-LBPRGKRZSA-N	320.389	1.590	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccc(Cl)cc2)n(C)n1	52796570	OKGSCLKLRPNRJP-UHFFFAOYSA-N	307.741	1.848	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNC(=O)[C@@H](CC)c1ccccc1	110342409	DRUHSVUVLBSEBV-HIFRSBDPSA-N	322.405	1.769	50	20	DDGD	
C[C@H](NC(=O)NNc1ncccn1)c1nc(C(C)(C)C)no1	173541952	GFOFPDBJGXBPHD-QMMMGPOBSA-N	305.342	1.544	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cc(F)cc(F)c2)cc1	61474454	GSQAFTMIGCGEIZ-UHFFFAOYSA-N	301.252	1.911	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)nc1	170967185	ZZCQWUAIDXDION-UHFFFAOYSA-N	300.705	1.681	50	20	DDGD	
CCS(=O)(=O)CCN(C)/C(=C/C#N)c1ccc([N+](=O)[O-])cc1	128084639	GZFFOKSZZIKDCL-RIYZIHGNSA-N	323.374	1.826	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cn1ccc2ccccc21	65204663	BRTAPBMDWPWBDM-UHFFFAOYSA-N	304.350	1.008	50	20	DDGD	
Cc1cc(NNC(=O)CCc2nnc(-c3ccccc3)o2)ncn1	172273214	AOKVPZKUHXKHKN-UHFFFAOYSA-N	324.344	1.911	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)c1cccc(N(C)C)c1	69316221	DLINGVGJOLIHOP-GFCCVEGCSA-N	305.378	1.495	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)N1CCCc2ccc(F)cc21	124673553	IUGZLSXUIBICCV-JTQLQIEISA-N	321.352	1.298	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCC[C@H]2CCCCO2)o1	186590993	ZNUCBTQFLKXUJA-GFCCVEGCSA-N	309.366	1.881	50	20	DDGD	
CC[C@H]1COC(C)(C)CN1S(=O)(=O)CBr	403905111	WQRNEVBUDBYSIH-QMMMGPOBSA-N	300.218	1.558	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCc2cnn(C)c2)cc1	121703076	MLVUCDPWIQQZJD-UHFFFAOYSA-N	315.377	1.169	50	20	DDGD	
COC[C@@H](C)NC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	125652594	JJEYHZRMINHNSL-SFCYXTAJSA-N	323.437	1.958	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2ccc(C)nc2)c1	73445646	RWDDWHLXVXLISD-UHFFFAOYSA-N	314.345	1.272	50	20	DDGD	
COc1ccccc1C(=O)NCC(=O)NNc1cc(C)ccn1	184481416	MMZRQPNVUDDWNB-UHFFFAOYSA-N	314.345	1.272	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)Cc2ccncc2)c(C)c1	184799565	PIYSNUMTPZBINP-UHFFFAOYSA-N	314.345	1.794	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=O)NCc2ccco2)cc1	122864919	RDKDWYGEXKTVSI-UHFFFAOYSA-N	316.317	1.382	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2ccncc2)nn1-c1ccccc1	180526675	WVOGGHFMOQTBQN-UHFFFAOYSA-N	322.328	1.123	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2coc(C)c2)cn1	189155138	GMNFMLJZAJFDQR-UHFFFAOYSA-N	306.347	1.623	50	20	DDGD	
C[C@@H]1CCC[C@@H]1CC(=O)NNC(=O)Cc1cn2ccccc2n1	184750641	BAVRZVHHPVUTCZ-CHWSQXEVSA-N	314.389	1.851	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)COc2ccccc2F)on1	71095018	DJUPHNWKGGETFK-UHFFFAOYSA-N	321.308	1.777	50	20	DDGD	
CC(C)(C)Oc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1	186157784	OKXUSSIZPNHHKE-UHFFFAOYSA-N	316.361	1.591	50	20	DDGD	
CC(=O)NNC(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O	181979269	NEKLPKCYEVETRD-UHFFFAOYSA-N	318.308	1.208	50	20	DDGD	
O=C(CCN1C(=O)c2ccccc2C1=O)NNc1ccccc1	70716806	MSYWWPYOEFWUIQ-UHFFFAOYSA-N	309.325	1.816	50	20	DDGD	
Cc1csc([C@H](C)CNC(=O)NNC(=O)c2ccc[nH]2)n1	186819804	PFTJDYCOONALQB-MRVPVSSYSA-N	307.379	1.527	50	20	DDGD	
CCC(C)(CC)C(=O)NNc1nccc(N2CCOCC2)n1	139537201	JNLVTONBTVGTBL-UHFFFAOYSA-N	307.398	1.583	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)Cc2ccsc2)cc1	192740564	YXAQYIZAHJRJLD-UHFFFAOYSA-N	319.386	1.559	50	20	DDGD	
COc1cccc(CC(=O)NNC(=S)N[C@@H](C)C2CC2)c1	83676465	FVQYAVQAPMBQJF-JTQLQIEISA-N	307.419	1.532	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1SCCc2ccccc21	132085656	UHXQQQCMOTVZKE-GFCCVEGCSA-N	316.386	1.959	50	20	DDGD	
C[C@@H](C(=O)NNc1ccccc1C(F)(F)F)S(C)(=O)=O	45080412	KGQPREZNVMCQDV-ZETCQYMHSA-N	310.297	1.582	50	20	DDGD	
CCOCCCNC(=O)NNC(=O)COc1cc(C)cc(C)c1	43006357	AIFRVUIIFKERSM-UHFFFAOYSA-N	323.393	1.439	50	20	DDGD	
CCOc1cc(Cl)ccc1C(=O)NNC(=O)C(C)(C)O	190064600	GFPBEBKPDXSURQ-UHFFFAOYSA-N	300.742	1.271	50	20	DDGD	
COCCCNC(=O)NNC(=S)N[C@H](C)c1ccccc1	144932328	DMXFGRAGEZSGQM-LLVKDONJSA-N	310.423	1.462	50	20	DDGD	
O=C(CSCC(F)(F)F)NNC(=O)Cc1cccnc1	90398580	ICTPAJMXIKCFCO-UHFFFAOYSA-N	307.297	1.067	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)/C=C\c1cccnc1	255558182	VQAQIMFNPMGVBD-FPLPWBNLSA-N	321.340	1.512	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNc1ncnc2ccsc12	269006240	RTHMATFGICKDCT-UHFFFAOYSA-N	309.351	1.269	50	20	DDGD	
CC(=O)Nc1ccc(CCNC(=O)NNC(=O)C2CCC2)cc1	264705829	BIVBFMRDBLKZPU-UHFFFAOYSA-N	318.377	1.318	50	20	DDGD	
CCO[C@H](C(=O)NNc1nccn(C)c1=O)c1ccccc1	267245038	SULHOILQPACSBM-LBPRGKRZSA-N	302.334	1.001	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)COc2ccccc2F)CC1	268002696	IUTDPMNQDOTLKN-UHFFFAOYSA-N	309.341	1.725	50	20	DDGD	
CCN(CC)c1ccc(CNC(=O)NNC(=O)C2CCC2)cn1	264712226	JJENCOKSOXMRPB-UHFFFAOYSA-N	319.409	1.558	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1	364271030	VQNJREJAVKTWGA-QWHCGFSZSA-N	322.384	1.623	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccc(CN2CCCCC2)cc1	276563921	MDNDAJHPGBGZJS-UHFFFAOYSA-N	301.390	1.844	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O	276874948	KOIKUQQFOMAFFP-UHFFFAOYSA-N	318.333	1.747	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C)cnc1Cl	276378003	NYNBQXNOYDERIY-QMMMGPOBSA-N	312.757	1.175	50	20	DDGD	
COc1cc(CC(=O)N2CC=C(C#N)CC2)cc(OC)c1OC	271150652	UUAMTQVGIMWDPN-UHFFFAOYSA-N	316.357	1.937	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)NC2CCCC2)cc(O)n1	271665974	BPCLODUNQGFAPK-UHFFFAOYSA-N	306.366	1.797	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccc(C(=O)OC)cn1)N(CC)CC	270344808	DKCXAEQXXICSLM-LBPRGKRZSA-N	308.382	1.432	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1	279485169	OPYWEQVXSALFCA-LLVKDONJSA-N	315.295	1.332	50	20	DDGD	
O=C(NN=c1nc(-c2ccccc2)[nH]o1)[C@@H]1CC12CCOCC2	365788534	UAPFKHIWDOLFPB-LBPRGKRZSA-N	314.345	1.418	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)NOC1CCCC1	271596781	HETSMXSKVYKMTH-UHFFFAOYSA-N	323.349	1.279	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H]1CCO[C@@H](C)C1	271274612	PBRCNSDZVHIWJK-WDEREUQCSA-N	307.350	1.207	50	20	DDGD	
CCOc1cccc2[nH]cc(CC(=O)NNC(=O)NC3CC3)c12	275378361	CLNDTVNFIMJPLU-UHFFFAOYSA-N	316.361	1.602	50	20	DDGD	
COCCn1ccc(C(=O)NNC(=O)Nc2ccccc2C)n1	281395392	YGJHFGQBGQLGGG-UHFFFAOYSA-N	317.349	1.304	50	20	DDGD	
Cn1cc2c(n1)CCC[C@@H]2NS(=O)(=O)CCCCCl	282597831	JJVZNCKKRGKIHC-LBPRGKRZSA-N	305.831	1.736	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)CCc1cccc(Cl)c1	284972625	DBLOQSDTXIOWMV-UHFFFAOYSA-N	318.826	1.879	50	20	DDGD	
CC(=O)N1CCC(CNC(=O)NNc2cccc(F)n2)CC1	287194770	DQPCPROJCLFPJG-UHFFFAOYSA-N	309.345	1.105	50	20	DDGD	
CCn1cc(CNC(=O)NNc2cccc(C(=O)OC)c2)cn1	288258491	UUCHBWCWXCDPNP-UHFFFAOYSA-N	317.349	1.516	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2csc(Cl)c2)CC1	287742758	HSQJCYPEMQOIAO-UHFFFAOYSA-N	302.787	1.003	50	20	DDGD	
COC(=O)C1(C(=O)NNc2ccc3c(O)nccc3c2)CC1	285674043	LAGYHRIYNPTLID-UHFFFAOYSA-N	301.302	1.337	50	20	DDGD	
O=C(CCCC1CCOCC1)NNc1nc2ccccn2n1	282187769	DSJIHARREBDKLC-UHFFFAOYSA-N	303.366	1.769	50	20	DDGD	
CCC(CC)n1ccc(C(=O)NNC(=O)NCC(F)(F)F)n1	281179602	JJXRLBSDOCELSK-UHFFFAOYSA-N	321.303	1.751	50	20	DDGD	
O=C(NNC(=O)c1cncc(-n2ccnn2)c1)Nc1ccccc1	801991068	CLPWMWAQOYJXMO-UHFFFAOYSA-N	323.316	1.129	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	801111086	KQSOQRZFQPFYOB-DGCLKSJQSA-N	321.377	1.142	50	20	DDGD	
CC/C=C/CNC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	298049823	IPBJHICJNRPWEM-SGUJLRQBSA-N	309.341	1.890	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	292691968	FUGUCKCNNQUEER-GWCFXTLKSA-N	307.350	1.806	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)CC2CC2)nn1-c1ccc(F)cc1	294150065	MHGHIBUWJQCKCC-UHFFFAOYSA-N	317.324	1.276	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)[C@H](C)OCC)cc1OC	298490428	HLJZVAPRIQEVRT-NSHDSACASA-N	324.377	1.670	50	20	DDGD	
COc1ccc2c(c1F)CCC2=NNC(=O)C(=O)NC(C)C	807959840	BZXRRCJDAVFREF-UHFFFAOYSA-N	307.325	1.125	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@H]1CC(c2c(F)cccc2F)=NO1	803078091	BLRBDHNZGGAIOB-CYBMUJFWSA-N	318.283	1.418	50	20	DDGD	
CCn1c(NNC(=O)C2(C(C)=O)CC2)nc2ccccc2c1=O	292932895	AQKOTUSGDNFMIN-UHFFFAOYSA-N	314.345	1.229	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)cc(O)n1	803429154	OMSNWOKQYMRUPL-UHFFFAOYSA-N	310.313	1.694	50	20	DDGD	
CCCSCC(=O)NNC(=O)CNc1ccc(OC)cc1	298754741	XWQBFGZIBBEGFV-UHFFFAOYSA-N	311.407	1.398	50	20	DDGD	
Cc1ncc2n1CC[C@@H](C(=O)NNc1nccnc1Cl)C2	291303221	NLFRLVKKMAASBJ-SECBINFHSA-N	306.757	1.341	50	20	DDGD	
Cc1oc(C(C)C)nc1C(=O)NNC(=O)N=c1cc[nH]cc1	803394148	ODFBCDWHUQPUMY-UHFFFAOYSA-N	303.322	1.390	50	20	DDGD	
CCSc1ccc(CC(=O)NNC(=O)[C@@H]2CCCO2)cc1	292241624	WUASFZLOSNUYLV-ZDUSSCGKSA-N	308.403	1.668	50	20	DDGD	
CC(C)Oc1ncccc1C(=O)NNC(=O)c1ccccn1	806277023	OBERRKSYULCJGT-UHFFFAOYSA-N	300.318	1.339	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@H]2CC[C@H](C(N)=O)CC2)n1	817177162	QMQJXXVAVFCASV-HAQNSBGRSA-N	320.397	1.011	50	20	DDGD	
CN(C)CCN1C(=O)C(=NNC(=O)CC2CC2)c2ccccc21	814990731	BHYWMBNCGDXJPQ-UHFFFAOYSA-N	314.389	1.215	50	20	DDGD	
CC(C)(C)OC(=O)N1[C@H](C(=O)NNc2cccnn2)C[C@H]2C[C@H]21	816068455	ULRGSEGSHBUYIZ-MXWKQRLJSA-N	319.365	1.318	50	20	DDGD	
CSSCCNC(=O)N1CCC(F)(F)[C@@H](CO)C1	813161121	OGQIDYXRXDFXHR-MRVPVSSYSA-N	300.396	1.657	50	20	DDGD	
O=C(NNc1ncncc1F)c1cnc(C(F)(F)F)nc1	817068054	VWZLQOQGUUTAEO-UHFFFAOYSA-N	302.191	1.181	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CN2CCCCC2=O)ccc1C	816687991	YAZQQTORYAAIFH-UHFFFAOYSA-N	319.361	1.237	50	20	DDGD	
O=C(NNC(=O)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1)C1CCCC1	811910070	SVBXNKNRCVWEAY-KGLIPLIRSA-N	321.421	1.951	50	20	DDGD	
CC(C)(C)c1ccc(CC(=O)NNC(=O)c2ccnnc2)cc1	817693450	OYGIBAOGFLKBHL-UHFFFAOYSA-N	312.373	1.778	50	20	DDGD	
CC(C)(C)n1cnc(C(=O)NNc2cc(C#N)cc(Cl)n2)n1	812542264	VWVLLOBEUCCEKH-UHFFFAOYSA-N	319.756	1.710	50	20	DDGD	
Cn1ncc(C=NNC(=O)COc2ccc3ccccc3c2)n1	814790126	ITUHCKSSUSCVHC-UHFFFAOYSA-N	309.329	1.497	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccc(Cl)nc1	822405505	SVLQZGOASFOKJZ-NXEZZACHSA-N	319.752	1.033	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc(-c2nn[nH]n2)c1)c1ccc[nH]1	824505679	HADACMQEJNMWIP-SECBINFHSA-N	312.337	1.582	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(S(C)(=O)=O)cc(C)c1C	494159906	PEJXQNGFUIYTOJ-UHFFFAOYSA-N	314.363	1.098	50	20	DDGD	
COC(=O)NNC(=O)[C@@H](C)Sc1ccc(NC(C)=O)cc1	495449625	XYSGWUZBUPRLLU-MRVPVSSYSA-N	311.363	1.513	50	20	DDGD	
COCc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)o1	826164419	YSLDVSYOGPODBH-UHFFFAOYSA-N	314.305	1.363	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	822201458	HGMVTNKNXAEMHS-CYBMUJFWSA-N	324.446	1.859	50	20	DDGD	
CC(C)C(=O)N(C)Cc1ccc(C(=O)NN(C)[C@@H](C)CO)cc1	823952079	OBLRFYYEHZEGJK-ZDUSSCGKSA-N	321.421	1.258	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(O[C@H]2CCOC2)cc1	494658928	JZKFQONZDKERMW-LBPRGKRZSA-N	309.322	1.637	50	20	DDGD	
O=C(O)CCCCNC(=O)NNC(=O)c1cc2ccccc2o1	821518980	ZMJSZBANVJNGGZ-UHFFFAOYSA-N	319.317	1.632	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(F)ccc1Br	823982917	HBMVTROHWXJTCZ-ZETCQYMHSA-N	305.147	1.546	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCCOC(=O)C1CC1	491101235	DHAVONUJYXCBPB-LCYFTJDESA-N	302.305	1.802	50	20	DDGD	
COc1cc(CN2CC[C@@H](B(O)O)C2)ccc1OC(F)F	585076805	OOVBIPGAEGGCML-SNVBAGLBSA-N	301.098	1.345	50	20	DDGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)c(=O)n1C	491127585	BLFQJNMCPHCRLM-DHDCSXOGSA-N	323.352	1.623	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1CC12CCSCC2	823223188	XJEBYABUZHUQRZ-LBPRGKRZSA-N	320.414	1.990	50	20	DDGD	
CN(NC(=S)NC[C@@H]1CCCCO1)C(=O)OC(C)(C)C	494063721	BTCZWTIZIGCDBX-JTQLQIEISA-N	303.428	1.802	50	20	DDGD	
COC(=O)c1occc1/C=C(/C#N)C(=O)NCc1ccco1	490588524	UBBAYVYGGXYEJA-XFFZJAGNSA-N	300.270	1.883	50	20	DDGD	
CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NN(C)[C@H](C)CO	823977382	VKFCYFVOCGZSDD-VXGBXAGGSA-N	317.430	1.270	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1ccc(CCCl)cc1	495965212	BGJRCOSMTBZUPI-UHFFFAOYSA-N	306.771	1.359	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@]1(C)CCOc2ccccc21	823476429	XXUBBTOYQXBLJL-JKDFXYPNSA-N	318.373	1.299	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)[C@H](C)c1ccccc1F	827314658	IFTUHKHOWMDCQI-MDZLAQPJSA-N	323.368	1.984	50	20	DDGD	
C[C@H]1C[C@H](C)CN(CCCCNCc2ccccc2B(O)O)C1	585016338	VZDFBZOQVQQYFV-HOTGVXAUSA-N	318.270	1.214	50	20	DDGD	
CC(C)[C@@H](NC(=O)O)C(=O)NNc1nc(O)c2ccccc2n1	824135386	FHJTUDUBYJJZJE-SNVBAGLBSA-N	319.321	1.071	50	20	DDGD	
Cc1cc(NNC(=O)C2(Cc3ccccc3F)CC2)nc(N)n1	828372246	VSDFGUQQTDLOIX-UHFFFAOYSA-N	315.352	1.972	50	20	DDGD	
C[C@@H]1[C@@H](C(=O)NNC(=O)C2CC2)CCN1C(=O)OC(C)(C)C	492666902	BSKKEVXVBQNBDW-KOLCDFICSA-N	311.382	1.189	50	20	DDGD	
C[C@H]([C@@H]1Cc2ccccc21)N(C)C(=O)c1ccc(B(O)O)cc1	585007941	DELNEELNLJQWNZ-PXAZEXFGSA-N	309.174	1.167	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H](CC(C)C)CN1CCCC1	836539465	IHEGGYAILGRUCE-AWEZNQCLSA-N	312.458	1.873	50	20	DDGD	
CC(=NNC(=O)NCC1CC1)c1ccccc1OCC(=O)O	833384984	QIKVOUYELUXMIQ-UHFFFAOYSA-N	305.334	1.583	50	20	DDGD	
CC(=NNC(=O)c1cc(C)[nH]n1)c1ccnn1CC1CCC1	901208619	RCCTWMHROZFZCO-UHFFFAOYSA-N	300.366	1.869	50	20	DDGD	
CC1(C)OCC(C)(C(=O)NNc2ccccc2C(=O)O)CO1	833562879	ZQKDNWMJQAUVEP-UHFFFAOYSA-N	308.334	1.617	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)C(=O)NCc2ccc(Cl)cc2)[C@@H](C)O1	834969231	UJCSSLNSHPLAOF-NXEZZACHSA-N	323.780	1.626	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccc3ncccc23)nn1	737841437	MUKXQIQEULDUCE-UHFFFAOYSA-N	323.312	1.108	50	20	DDGD	
O=C(/C=C\c1ccco1)NN=c1[nH]nc(-c2ccccn2)s1	588564948	XZPRKSSQZRWGNT-SREVYHEPSA-N	313.342	1.772	50	20	DDGD	
O=C1CC[C@@H]2[C@H]1[C@H]2C(=O)NNc1nnc(-c2ccccn2)s1	907664443	CBBOCXHZXKANGS-ONOSFVFSSA-N	315.358	1.268	50	20	DDGD	
COC(=O)Nc1ccccc1C(=O)NNC(=O)c1cccn1C	733125379	XPHPIGKSIRYDRI-UHFFFAOYSA-N	316.317	1.278	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCSC)c1F	838180335	VEMBUKHATFRTSB-UHFFFAOYSA-N	301.343	1.601	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21	907644365	VIZKDSHUVWHBJP-CYZMBNFOSA-N	321.764	1.396	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1cnnc2ccccc12	733812117	RCAIRDKQHILUEC-LLVKDONJSA-N	304.350	1.515	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCOc1cccc(F)c1	732084175	PJZWZPWKZHKCGL-UHFFFAOYSA-N	306.297	1.087	50	20	DDGD	
O=C(NCC1CC1)C(=O)NNc1cccc(Cl)c1Cl	838351203	WOQVFKLEHFAKRC-UHFFFAOYSA-N	302.161	1.963	50	20	DDGD	
CN(C)c1ccc(CCCNCc2ccc(B(O)O)cc2)cc1	585015312	WNLXWGYFCLVQFF-UHFFFAOYSA-N	312.222	1.155	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)C1(Cc2ccccc2)CCC1	584913277	SBFWFVIJBCUSQT-UHFFFAOYSA-N	309.174	1.718	50	20	DDGD	
Cc1ccc([C@H](O)[C@H](C)NC(=O)/C(C#N)=C\c2cnn(C)c2)cc1	832400781	NVASEHGTYDNGOA-HZKNVOEGSA-N	324.384	1.874	50	20	DDGD	
CC[C@](C)(NC(=O)c1ccc(B(O)O)c(F)c1)c1nccs1	584950366	LQFMILMNAPACMG-AWEZNQCLSA-N	322.170	1.017	50	20	DDGD	
COc1ccc(C2=NO[C@@H](CNS(=O)(=O)CCl)C2)cc1	831404672	STVDFNNUAXPXFY-LLVKDONJSA-N	318.782	1.304	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@H]1CCCCN1C)c1ccccc1	732291195	BAERDKJXUQCFKW-HUUCEWRRSA-N	303.406	1.812	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCn3nc(C4CC4)cc3C2)cn1	834437433	ZFJFLXYPYOJLSS-NSIKDUERSA-N	322.372	1.443	50	20	DDGD	
Cc1occc1CNC(=O)NNC(=O)COc1ccc(F)cc1	919781150	ZRVHNMIAAIYNED-UHFFFAOYSA-N	321.308	1.637	50	20	DDGD	
COc1cc2c(cc1CNS(=O)(=O)CCl)O[C@@H](C)C2	830918965	PIAVRUORBSFJNK-QMMMGPOBSA-N	305.783	1.634	50	20	DDGD	
CC(C)(C)c1ccc(OCC(=O)NN[C@H](C(=O)O)C2CC2)cc1	833449530	XCICECSUOIBWRA-HNNXBMFYSA-N	320.389	1.847	50	20	DDGD	
CO[C@H]1CCN(CC(=O)NNC(=O)c2cccc(C)c2)C[C@@H]1C	831535697	XYWCCFQFNVHSHW-ZFWWWQNUSA-N	319.405	1.113	50	20	DDGD	
Cc1nc(C(C)(C)C)nc(O)c1C(=O)NNc1ncccn1	747354494	BFBBXVHDSACYPX-UHFFFAOYSA-N	302.338	1.335	50	20	DDGD	
C[C@H]1CCCc2ncc(C(=O)NNc3nc4ccccn4n3)n21	846003758	NEOQFHQJAWLSLD-JTQLQIEISA-N	311.349	1.580	50	20	DDGD	
CCNCc1cccc(NC(=O)NNC(=O)c2cccn2C)c1	841310252	KGRSEAZKCAXGMA-UHFFFAOYSA-N	315.377	1.601	50	20	DDGD	
O=C(CN1CCCCC1=O)NNc1ncccc1C(F)(F)F	740098163	VLCZPROHACLHSQ-UHFFFAOYSA-N	316.283	1.556	50	20	DDGD	
O=C(O)COc1ccccc1C=NNC(=O)CC(F)(F)F	917550215	AYVCASDCCIPRCP-UHFFFAOYSA-N	304.224	1.553	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H](C)C(=O)OC(C)(C)C)n1	840865637	UPBRLYCCRLILFZ-SSDOTTSWSA-N	314.773	1.859	50	20	DDGD	
CCC(CC)(CO)C(=O)NNc1nc2ccccc2c(=O)n1C	847492907	NWHCJBUQDXMBMR-UHFFFAOYSA-N	318.377	1.175	50	20	DDGD	
COc1cc(C=NNC(=O)C(=O)NC(C)C)ccc1SC	746488331	HGTLTKRGJLHAKP-UHFFFAOYSA-N	309.391	1.392	50	20	DDGD	
C=C(C)CONC(=O)NNC(=O)CCc1ccc(OC)cc1	845592684	ASXRWOAGSVWAIO-UHFFFAOYSA-N	307.350	1.466	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)Nc1cnnn1C	841709986	QWZMMEZWAAUZHI-UHFFFAOYSA-N	310.749	1.531	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=Cc2cc(C)n(C)n2)c1	841610333	MBLPFJQTGYOBDK-UHFFFAOYSA-N	302.334	1.510	50	20	DDGD	
COc1ccnc(C=NNC(=O)CCN2CCCCCC2)n1	842522318	XENMGUVXZMVVNN-UHFFFAOYSA-N	305.382	1.201	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)CCSc2ccc(F)cc2)C1	843754425	SUHQGCANGSCHJH-SNVBAGLBSA-N	324.377	1.825	50	20	DDGD	
Cc1ccc(/C=C(/C#N)C(=O)OCCN2CCOCC2)cc1	747678362	WGYWLIWOLSDOSC-VBKFSLOCSA-N	300.358	1.777	50	20	DDGD	
C[C@@H]1CCCc2ncc(C(=O)NNC(=O)[C@@H]3CCCCO3)n21	844551757	IHHANHODYASXPF-PWSUYJOCSA-N	306.366	1.111	50	20	DDGD	
O=C(NNc1cccnc1Cl)[C@@H]1CCCN1C(=O)C1CC1	843907018	PNWBOJVUNLQFPZ-NSHDSACASA-N	308.769	1.579	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cn(Cc3ccccn3)nn2)cc1	748101096	WTFLPCIDEZLZIH-UHFFFAOYSA-N	319.328	1.350	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCCOc1ccccc1	843641141	RUZIZCAIASPQNI-JSGCOSHPSA-N	306.362	1.418	50	20	DDGD	
CCCC[C@H](NC(=O)NNC(=O)c1ncccn1)C1CCC1	841592714	WJNLSHNSOCVKRH-LBPRGKRZSA-N	305.382	1.780	50	20	DDGD	
C[C@@H](C(=O)NNc1c(F)cccc1F)[C@H](C)S(C)(=O)=O	841409577	SSZGEXFUKLZCSC-SFYZADRCSA-N	306.334	1.477	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCOc1ccc(Cl)cc1	915619680	IEHAMOVTJHHQLZ-UHFFFAOYSA-N	321.764	1.909	50	20	DDGD	
C[C@H]1CC(C)(C)CCC1=NNC(=O)Cc1cc(O)nc(O)n1	748251263	IMMVBFSEZZKDTD-VIFPVBQESA-N	306.366	1.749	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@H]1Cc2ccccc21	741912710	SABYSIFPAFIRTF-HNNXBMFYSA-N	310.353	1.725	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1c(F)cc(C#N)cc1F	843651177	AFUCJRUJNVDSNR-IONNQARKSA-N	309.272	1.022	50	20	DDGD	
CS[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	845334297	RJUIFVVBMIRDQV-IRCOFANPSA-N	315.439	1.416	50	20	DDGD	
COC[C@@](C)(O)C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	748637936	MRLZWMNUIXPETO-GFCCVEGCSA-N	317.267	1.418	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccc(C(N)=O)o2)cc1	746795398	JFNJLEOULTVYIM-UHFFFAOYSA-N	301.302	1.016	50	20	DDGD	
COCC(CC(C)(C)C)=NNC(=O)CNC(=O)c1cccnc1	844587245	JYKFZNJUSGHXNJ-UHFFFAOYSA-N	320.393	1.366	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H]1CCc2ncncc2C1	843754879	SXIZHFAQHFVUJE-LBPRGKRZSA-N	310.357	1.351	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCC(=O)OC(C)(C)C	743633812	PPSPTBMPOFJKEI-UHFFFAOYSA-N	301.387	1.485	50	20	DDGD	
COc1c(F)ccc(F)c1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843651654	FBHIFHSSFPFTKE-SFYZADRCSA-N	314.288	1.159	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NN=C2C[C@@H](C)n3ncnc32)c1	841606592	ICUAHPDDKUFHBW-GFCCVEGCSA-N	313.361	1.759	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc2c(F)cccc2[nH]1	843971763	DMEJKFIGTWMSBW-DTWKUNHWSA-N	305.309	1.493	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2CCCN2Cc2ccccn2)nc1	924815815	BUJMRYWCPPELPL-HNNXBMFYSA-N	322.372	1.456	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=C1CCC12CCOCC2	853407773	CXUIINMKJDXCIR-UHFFFAOYSA-N	323.437	1.992	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCCN2CCC[C@H]2C1	1330366549	PVNJNPPFYQTTKM-LBPRGKRZSA-N	308.875	1.751	50	20	DDGD	
CC(=NNC(=O)c1ccc(C)o1)c1cccc(S(N)(=O)=O)c1	752173493	KPXCMVGMYFCQFN-UHFFFAOYSA-N	321.358	1.389	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H]1CC(C)(C)Oc2ccccc21	854927424	HPWRWWIDGIYGHB-LLVKDONJSA-N	307.419	1.799	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)C1CC2(CC2)C1	855829076	QCLWGAILJSVHRY-UHFFFAOYSA-N	309.410	1.267	50	20	DDGD	
CN1C[C@H](c2ccccc2)[C@@H](C(=O)NNC(=O)c2ccccn2)C1	858091905	JOFMZNJKFQBMJW-CABCVRRESA-N	324.384	1.188	50	20	DDGD	
C#Cc1ccccc1C(C)=NNC(=O)CNC(=O)c1cccnc1	753708763	IUQJPZFKINSQTF-UHFFFAOYSA-N	320.352	1.333	50	20	DDGD	
CC(C)(C(=O)NNC(=S)NCC1CCC1)c1cccnc1	855091038	ZDTWXFCYSSDHIP-UHFFFAOYSA-N	306.435	1.655	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnc2onc(CC)c2c1	920765036	GSZOHBDHOJHFKP-UHFFFAOYSA-N	305.338	1.529	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NN=Cc1ccco1	853372263	LABZVBWOXTYBLU-CHWSQXEVSA-N	302.334	1.631	50	20	DDGD	
CCC(CC)[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cn[nH]c2)CCO1	858350373	GPCQXZLNHISIFF-STQMWFEESA-N	323.397	1.338	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1	755863980	AFXFBAJWDINFQK-PHIMTYICSA-N	321.381	1.258	50	20	DDGD	
N#Cc1csc(C(=O)NNC(=O)COc2ccccc2O)c1	752415822	IAXHQFHPVRKHOR-UHFFFAOYSA-N	317.326	1.165	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)CCOc2ccccc2)[C@H]1C	858918557	LGOOYGBUGSQTSW-BCUIYNNISA-N	320.389	1.662	50	20	DDGD	
C=CCCSCCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	852392973	BWFKGJZMZKKJDL-GHMZBOCLSA-N	301.412	1.051	50	20	DDGD	
CC1(C)OC[C@H](CNC(=O)NNc2ccc(F)c(F)c2)O1	921895662	LIJCPHDJGXEWGA-VIFPVBQESA-N	301.293	1.742	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc(C#N)s1	854282130	DIUCJEWKPJWSKE-UHFFFAOYSA-N	312.420	1.107	50	20	DDGD	
CC[C@H](C)OCC(=O)OCC(=O)NNC(=O)c1cccc(C)c1	751881424	SKSOPZNOQHAJGR-LBPRGKRZSA-N	322.361	1.114	50	20	DDGD	
CO[C@@H](C=NNC(=O)C1CCN(c2ncccn2)CC1)C1CC1	853302349	BFUNPHKGACMTSJ-AWEZNQCLSA-N	317.393	1.220	50	20	DDGD	
CCN(CC)CCC(=O)NN=C(C)c1cc(C(=O)O)ccc1O	757460196	QLLIDJKHEKTSOC-UHFFFAOYSA-N	321.377	1.663	50	20	DDGD	
COC(=O)c1cc(OC(=O)[C@]2(C)CCOC2)ccc1[N+](=O)[O-]	754266444	KVOMNDBBHRIVRU-CQSZACIVSA-N	309.274	1.713	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2ncncc2F)C[C@@H]1Br	856898280	ZSLPZTQGIMHLJP-XVKPBYJWSA-N	318.150	1.415	50	20	DDGD	
Cc1cccc(CC(=O)NNc2ccc(C(N)=O)nn2)c1Cl	754259448	JRHKEROPBVYDQR-UHFFFAOYSA-N	319.752	1.223	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCC[C@H]2C[C@H]3CC[C@H]2O3)c1	858533457	TUHMCSQFZDZBAW-QJPTWQEYSA-N	323.418	1.958	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ncc(Cl)cn1)N1CCCC1=O	857356672	SZAZUCLZDOJZND-NSHDSACASA-N	311.773	1.220	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cccc(CC#N)c1)C1CC1	855102019	DQVVJMGPBKAJPX-SNVBAGLBSA-N	302.403	1.660	50	20	DDGD	
Cc1csc([C@H](NC(=O)NNC(=O)c2cn[nH]c2)C2CC2)n1	858704517	LBXPKCRUXJIVRM-SNVBAGLBSA-N	320.378	1.270	50	20	DDGD	
CNC[C@H](C)NC(=O)NNc1cccc(Br)n1	851680740	KTOUHLAROFBLNA-ZETCQYMHSA-N	302.176	1.078	50	20	DDGD	
CC(=O)NCCCCCC(=O)NC[C@]1(C)C[C@@H]1Br	857688153	DJKLGBZUPSWVNF-AAEUAGOBSA-N	319.243	1.973	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCc2ccc(OC)cc2C1	752730969	IGBDDLOTPSAULI-GFCCVEGCSA-N	320.389	1.708	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)CCCc1cccnc1	854284947	CEWDZYHXLCLJLM-UHFFFAOYSA-N	324.450	1.278	50	20	DDGD	
Cc1cccc(NC(=O)NCC(=O)NN[C@H](C)C(F)(F)F)c1	862306454	AIXFHCKFPJBMMV-SECBINFHSA-N	318.299	1.688	50	20	DDGD	
Cc1cc(C)c(C=NNC(=O)[C@H](C)CN2C[C@H](C)O[C@@H](C)C2)[nH]1	760243465	ZQHMUUDHFMPKCT-SNPRPXQTSA-N	320.437	1.827	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@H]1CCn2cncc2C1	863097092	CINRRNHAWQDIIK-ZETCQYMHSA-N	312.242	1.264	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)NC3CC3)n[nH]2)cc1C	765300585	OSWMNLQSLIUDQX-UHFFFAOYSA-N	313.361	1.800	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CCCc2sccc2C)n[nH]1	869013850	ABSQZAYKWYIOPB-UHFFFAOYSA-N	320.418	1.801	50	20	DDGD	
CCCC1(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1	760242419	SNYUWKDMHZMRBV-ZDUSSCGKSA-N	304.346	1.554	50	20	DDGD	
Cc1ccc(C(=O)NNC(=S)NC[C@H]2CCCCO2)cc1O	1262167180	CWEYXELXLABGLO-GFCCVEGCSA-N	323.418	1.379	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(Cc1ccccn1)CC(C)C	932445451	GIFPCCWNIBAKHC-CYBMUJFWSA-N	306.410	1.486	50	20	DDGD	
OB(O)c1ccc(CNc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)cc1	863891045	JHNMVCZFKZGOHX-KXBFYZLASA-N	322.217	1.967	50	20	DDGD	
Cn1ccnc(NNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1=O	768715999	IHVKSIRORUREGR-UHFFFAOYSA-N	323.696	1.099	50	20	DDGD	
CNc1nc(C)cc(C(=O)NNCC(F)(F)C(F)(F)F)n1	863098627	QMVOBLRTIWNEAJ-UHFFFAOYSA-N	313.230	1.259	50	20	DDGD	
C[C@@H](NNC(=O)c1ccnc(N2CCCC2)n1)C(F)(F)F	862313800	OMXGDADUIIQOCE-MRVPVSSYSA-N	303.288	1.262	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C)n([C@H](C)CC)n1	764080779	ALSDYIMNCZVFSS-VHSXEESVSA-N	323.397	1.295	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2nc3ccccc3[nH]c2=S)CC1	862294134	ZESMUXBVKNXGFH-UHFFFAOYSA-N	317.374	1.262	50	20	DDGD	
NC(=O)[C@@H](Cc1ccc(Cl)cc1)NNC(=O)C1CCCC1	760577829	UGFZUTRGTWCECK-CYBMUJFWSA-N	309.797	1.547	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc(Br)ccc1O	865277264	CYYMPQNFYDWKPD-UHFFFAOYSA-N	302.128	1.071	50	20	DDGD	
C[C@H](NNC(=O)c1cc(F)c(F)c(O)c1F)C(F)(F)F	862316340	NRZJZQPVGLWOGN-VKHMYHEASA-N	302.174	1.995	50	20	DDGD	
Cc1cc(=NNC(=O)CCn2cc(Br)cn2)cc[nH]1	862510626	NBHLEKCFTVKYCW-UHFFFAOYSA-N	324.182	1.304	50	20	DDGD	
CCOC(=O)C1(C(=O)N(C)NC(=O)OCc2ccccc2)CC1	862287891	YNSAHLJPVBKLAX-UHFFFAOYSA-N	320.345	1.630	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)C1=COCC1	762410438	WEPNBABYJBCVLE-UHFFFAOYSA-N	308.359	1.239	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)/C=C/[C@@H]2CCOC2)cn1	874955507	RXWZCIPNEPQQNW-XCRNYIDWSA-N	322.390	1.001	50	20	DDGD	
COC(=O)c1cc(C(=O)NNC(=S)NC(C)C)ccc1C	1118977588	BMDXVFAEHMPABO-UHFFFAOYSA-N	309.391	1.299	50	20	DDGD	
COCCOCC(=O)NN=C1CC(C)(C)Oc2ccccc21	872401950	OTPMDRMZKNWRQF-UHFFFAOYSA-N	306.362	1.731	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CC1CCN(CC(F)F)CC1	874060406	GYNCCSYZUUHCBE-UHFFFAOYSA-N	305.369	1.547	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccc[nH]1)c1ccc(N(C)C)cc1	776244830	GDAGBZCUKZDTIS-NSHDSACASA-N	315.377	1.786	50	20	DDGD	
CC[S@](=O)CCNC(=O)NNc1cccc(F)c1Cl	1119152086	KDTMVRMWFJMVTD-IBGZPJMESA-N	307.778	1.874	50	20	DDGD	
Cc1ccsc1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	771890566	NZJKEDMYCSJGAS-JTQLQIEISA-N	312.391	1.795	50	20	DDGD	
C[C@@H](NC(=O)CC(C)(C)C)C(=O)NNc1ncccc1[N+](=O)[O-]	779393846	GILKXSXOLDSRCV-SECBINFHSA-N	323.353	1.374	50	20	DDGD	
CC[C@H](CO)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	779723858	BVBAYKCKFZUYOZ-NXEZZACHSA-N	310.419	1.652	50	20	DDGD	
COCCOc1ncccc1C(=O)NNc1cc(Cl)ccn1	778447784	JKEDAOBLWWSDPV-UHFFFAOYSA-N	322.752	1.912	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1ccc2nsnc2c1	770550483	UYSXTIGMFDXHFE-UHFFFAOYSA-N	314.326	1.472	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CCCC2)nc(C(F)(F)F)n1	777514502	CZYFOWZXZUVXMX-UHFFFAOYSA-N	316.283	1.755	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1cnccc1C	771562311	DZSSLVITQWDEIN-UHFFFAOYSA-N	300.318	1.253	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)Cc1cc(C)ccc1OC	771907698	AETLSOHOWJGVCI-NSHDSACASA-N	322.361	1.035	50	20	DDGD	
CC(C)(C)NC(=O)NNC(=O)c1cncn1-c1ccccc1	1116260511	VRGKDXYAHISPDQ-UHFFFAOYSA-N	301.350	1.615	50	20	DDGD	
CN(C)c1nccc(CNC(=O)NN(C)c2ccccc2)n1	775764989	XGDLBUUWNJOULG-UHFFFAOYSA-N	300.366	1.393	50	20	DDGD	
Cc1cc(C(=O)NNc2ccnc(Br)c2)ncn1	771547500	PFKZGCQYHJCDCS-UHFFFAOYSA-N	308.139	1.699	50	20	DDGD	
Cc1ccc([C@H](C)CNC(=O)NNC(=O)C2CCOCC2)cc1	883437743	ADZOEKUWTDKQGQ-CYBMUJFWSA-N	319.405	1.856	50	20	DDGD	
O=C(NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)NNC(=O)c1cccnn1	883522421	OVYFFAFDPIPXGD-NFAWXSAZSA-N	323.356	1.007	50	20	DDGD	
C[C@@H](C(=O)NNc1c(F)cccc1Cl)N1C(=O)CCC1=O	770198187	XRNNAQMRUUSVSF-ZETCQYMHSA-N	313.716	1.460	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)[C@H](C)NS(C)(=O)=O	885125117	KTAPQDLSKFYRAM-QMMMGPOBSA-N	305.787	1.029	50	20	DDGD	
Cc1c(NNC(=O)c2c[nH]cc(C)c2=O)cccc1[N+](=O)[O-]	781431838	WFTNLHGXDSVGEI-UHFFFAOYSA-N	302.290	1.657	50	20	DDGD	
CC(C)CN1CCC(NC(=O)NNc2ccc(C#N)cn2)CC1	887664361	JEYHBRNYBGYNFO-UHFFFAOYSA-N	316.409	1.700	50	20	DDGD	
CN(Cc1cccc(C(N)=O)c1)S(=O)(=O)CCCCl	881803590	ALAIHIQBQBHXFC-UHFFFAOYSA-N	304.799	1.176	50	20	DDGD	
O=S(=O)(CCCCl)N1CCc2ccccc2[C@H]1CO	882039717	QQGAHJSCLDVKEH-CYBMUJFWSA-N	303.811	1.537	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](C)[C@@H]1OCCc2sccc21	887149176	MHDFCGDEOVQXRC-ABAIWWIYSA-N	320.414	1.949	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cncnc1-c1ccccc1	783390325	MKYITGVXEDWKKK-UHFFFAOYSA-N	321.340	1.557	50	20	DDGD	
COCCOc1cc(OC)ccc1C(=O)NNc1ccccn1	788525307	FUZZYNMNDHZKMG-UHFFFAOYSA-N	317.345	1.872	50	20	DDGD	
C[C@@H](NCC(=O)NNC(=O)c1cccs1)c1cccnc1	781170813	ASPDIDGFDQKYEB-SNVBAGLBSA-N	304.375	1.255	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCC(=NNC(=O)c2ccc(C#N)cc2)C1	788425305	OXKHZZQOYCMJEW-AWEZNQCLSA-N	319.386	1.631	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1cncs1	788566580	IKJDHHVOKAFPNR-UHFFFAOYSA-N	304.360	1.814	50	20	DDGD	
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1cc(C)nn1C	789021286	UZHRBJKWTBJGBI-UHFFFAOYSA-N	317.305	1.496	50	20	DDGD	
O=C(NNc1ccc(F)cc1)C(=O)Nc1cccc2c1OCO2	784780261	VSNWGRNHCUUSGD-UHFFFAOYSA-N	317.276	1.636	50	20	DDGD	
CC(C)(O)C(=O)NN=C1CCCOc2cc3c(cc21)CCC3	785457852	IUVKPIRIEAGJGQ-UHFFFAOYSA-N	302.374	1.939	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2CCOC3(CCC3)C2)n1	896798536	NGQRUFOKMLPJKW-NSHDSACASA-N	306.366	1.586	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C/c1cc(Br)nn1C	782351746	NUNDNSJVJGGYLS-XBXARRHUSA-N	304.169	1.482	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1ccc(-n2cnnn2)cc1	792208030	HCAPAMPXXNHVAF-UHFFFAOYSA-N	310.321	1.514	50	20	DDGD	
O=C(NCc1ccco1)NNS(=O)(=O)c1ccsc1	795301869	LOORWVPDVIUTKY-UHFFFAOYSA-N	301.349	1.034	50	20	DDGD	
CC(=NNC(=O)c1ccnc(N(C)C)c1)C(C)(C)n1cncn1	794509816	FTFXQOVRJQLMOK-UHFFFAOYSA-N	315.381	1.280	50	20	DDGD	
CC(C)(C#N)c1ccc(C(=O)NNC(=O)c2ccncc2)cc1	792760566	BNRPCJSRNMYVFZ-UHFFFAOYSA-N	308.341	1.958	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)[C@@H]1CCC(F)(F)C1	795086117	PORJQSOAGHOFLE-SECBINFHSA-N	314.288	1.354	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H](C)N1CCc2ccccc21	798305403	NZLKVCGBAOMHAG-NSHDSACASA-N	304.419	1.119	50	20	DDGD	
Cc1c[nH]nc1C(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	799426813	QTFAWITVBOESHW-VIFPVBQESA-N	322.752	1.600	50	20	DDGD	
COc1ccccc1CC(=O)NN=C1CC(=O)N2CCCC[C@@H]12	799478131	STQCVVKHAPJQKX-AWEZNQCLSA-N	315.373	1.495	50	20	DDGD	
COc1cc(OC)c(C(C)=NNC(=O)CCO)cc1Cl	1322318900	GGTUHKPGMHHVEL-UHFFFAOYSA-N	300.742	1.580	50	20	DDGD	
CC(C)c1cccc(NC(=O)NNC(=O)C2CCNCC2)c1	1325610455	JOFKOWIUUPRXOW-UHFFFAOYSA-N	304.394	1.962	50	20	DDGD	
CCc1ccc2c(c1)CCN(C(=O)NNC(=O)c1cn[nH]c1)C2	1340365563	SAJWJDQFJMOGMF-UHFFFAOYSA-N	313.361	1.385	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H](NC(=O)NNc2cccc(Cl)n2)C1	1344033151	RGQDYYXJSSNENV-BDAKNGLRSA-N	312.757	1.703	50	20	DDGD	
CC(C)[C@H](NC(=O)NNc1ncncc1Cl)c1cnn(C)c1	1341593270	MABJPNCONDWKQA-NSHDSACASA-N	323.788	1.887	50	20	DDGD	
Cc1nnc(CCC(=O)NNCC(F)(F)C(F)(F)F)o1	1352241846	BIETVKWKSRQJLI-UHFFFAOYSA-N	302.203	1.129	50	20	DDGD	
CO[C@H]1CCC[C@H]1C(=O)NNC(=O)c1nc2ccccc2s1	1353790986	WJDFWLOGZUWWDY-KOLCDFICSA-N	319.386	1.872	50	20	DDGD	
CN1C[C@H](c2ccccc2)[C@@H](C(=O)NNC(=O)c2ccc[nH]2)C1	1351340627	GNPLZZRRSKDOAL-KGLIPLIRSA-N	312.373	1.121	50	20	DDGD	
O=C(CCc1ccccc1O)NN=C1C[C@H]2C[C@@H](C(=O)O)[C@H]1C2	1608318853	CWBZXKRIOYZMSH-RAIGVLPGSA-N	316.357	1.928	50	20	DDGD	
O=C(NCCCN1CCCC1)NNc1ccc(C(=O)O)c(F)c1	1601497536	TWTTYMZHDFLDSQ-UHFFFAOYSA-N	324.356	1.636	50	20	DDGD	
C[C@H]1[C@H](NC(=O)NNc2ccc(F)c(C(=O)O)c2)CCN1C	1604647423	XPXFFVOHOBLWQL-QPUJVOFHSA-N	310.329	1.243	50	20	DDGD	
N#CSCCCNS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)O	1601079642	OXAKHYZZUNHGOL-NXEZZACHSA-N	306.409	1.154	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1n[nH]c(CC(=O)O)n1	1603302585	KCNVFZKIZZLURF-ZETCQYMHSA-N	319.159	1.180	50	20	DDGD	
CS[C@H](C)CCC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1605367842	OMSDNAGKXYOIEB-MRVPVSSYSA-N	307.383	1.237	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(C[C@@H](C)C(=O)O)cc1	1605492666	BOQHTJQVOCRYOK-SNVBAGLBSA-N	322.365	1.648	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1ccc(CC(=O)O)cc1	1605638748	QTCQOWQAIKRZBH-NSHDSACASA-N	310.350	1.198	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc(/C=C/C(=O)O)o1	1605429456	GSZCURCBGAYSNG-DFWOIRTKSA-N	307.350	1.559	50	20	DDGD	
Cc1oc(C(=O)O)cc1C(=O)NNCC(F)(F)C(F)(F)F	1600827392	ITRYEXRXUFHLSI-UHFFFAOYSA-N	316.182	1.718	50	20	DDGD	
O=C(CCCn1ccc(C(=O)O)n1)NNc1ccc(F)cc1	1601273499	CPJCHCWSKKRRII-UHFFFAOYSA-N	306.297	1.644	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccc(C(=O)O)o1)c1ccccc1	1604870034	VCTPKGHWORROFR-LLVKDONJSA-N	316.313	1.933	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)o1	1602976455	NDFZYMMRRLOCLP-UHFFFAOYSA-N	312.289	1.419	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1cc(C(=O)O)cc([N+](=O)[O-])c1C	1610010869	UNLZJIVOEUIULT-JXMROGBWSA-N	319.273	1.984	50	20	DDGD	
O=C(O)CCCC=NNC(=O)c1nnc(-c2ccccc2)o1	1611425964	KBCWYLABTUPCQT-UHFFFAOYSA-N	302.290	1.707	50	20	DDGD	
O=C(CCOCC(F)(F)F)NNc1ccccc1C(=O)O	1610657179	RBOZUSXYAPWYDH-UHFFFAOYSA-N	306.240	1.797	50	20	DDGD	
O=C(NN=Cc1ncc(Cl)s1)[C@@H]1CN2CCC[C@H]2CO1	1549318223	AQQGEBSWCBZFTJ-IUCAKERBSA-N	314.798	1.110	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)C2=CC[C@H](N)C2)cc1C	1578061038	LNHNAILCHZKTPI-LBPRGKRZSA-N	303.362	1.662	50	20	DDGD	
CC#CC[C@H](N)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	1574973183	UFLWWUCTHQZSRN-NSHDSACASA-N	314.172	1.495	50	20	DDGD	
C/C=C\C(=O)NNC(=S)Nc1cccc(-c2cnn[nH]2)c1	1576162372	ZYLYZTAXEHQCQU-RQOWECAXSA-N	302.363	1.365	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H]2NCC23CCCC3)cc1	1578252626	IILAGQWZZAGGRO-CQSZACIVSA-N	301.390	1.542	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)c1cccc(-c2cnco2)c1	1580736601	ZBAAJERDCHZRDK-UHFFFAOYSA-N	314.345	1.102	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)Nc1ccc(C2CCC2)cn1	1580736627	ZWJIDRWWQZPUOI-UHFFFAOYSA-N	317.393	1.501	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)COC(C)C)C2	1845162571	AODJUWYODKTVOP-LBPRGKRZSA-N	316.829	1.632	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H]1CC[C@H](C(=O)O)C1	1593888871	UIPNNKYFTLTPBS-ZJUUUORDSA-N	306.318	1.417	50	20	DDGD	
CCc1[nH]c(C(=O)NNc2ncccc2F)c(C)c1C(=O)O	1597383628	FARONHBHHYALIT-UHFFFAOYSA-N	306.297	1.875	50	20	DDGD	
O=C(O)[C@@H](C(=O)NNc1ccc(OC(F)F)cc1)C1CC1	1594836595	ZADIISKUTAFQQP-SNVBAGLBSA-N	300.261	1.842	50	20	DDGD	
CCC/C=C/[C@@H](O)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1590569061	MJKIMCLLWQBZLR-ZYOFXKKJSA-N	302.338	1.027	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccc(C(=O)O)cc1OC)C(=O)OC	1594735807	IEYLMSGUODHMQG-VIFPVBQESA-N	310.306	1.036	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1c[nH]nc1-c1ccc(Cl)cc1	14290285	HALCCYXZMAWCPL-UHFFFAOYSA-N	304.737	1.901	50	20	DDGD	
O=C(CN1CCCCCC1)NNC(=O)c1ccccc1Cl	15376114	YHSGWHMRVVSQJV-UHFFFAOYSA-N	309.797	1.977	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCCCN1CCc2ccccc2C1	158888344	QNMJXVWOJNRMJG-VKAVYKQESA-N	313.401	1.995	50	20	DDGD	
COc1ccc(C(=O)NNc2nc(C(F)(F)F)cs2)nn1	152861819	BNJSUQRKTMAEAA-UHFFFAOYSA-N	319.268	1.717	50	20	DDGD	
Cc1ccc(F)c(OCC(=O)NNC(=O)c2cccn2C)c1	157310453	ZKCDRAVHNFJYAO-UHFFFAOYSA-N	305.309	1.313	50	20	DDGD	
CC[C@H](OC1CCCCC1)C(=O)NNC(=O)c1cnn(C)c1	156397664	SMOGYQFNGXLQMT-ZDUSSCGKSA-N	308.382	1.309	50	20	DDGD	
CC(C)Cc1nc(C(=O)NNC(=O)NCC(F)(F)F)cs1	58249483	CNYREBWOHUNOSN-UHFFFAOYSA-N	324.328	1.848	50	20	DDGD	
Cc1ccccc1OCCCC(=O)NNC(=O)Cc1cc[nH]n1	106417005	NGMYHZULZZGBKQ-UHFFFAOYSA-N	316.361	1.267	50	20	DDGD	
Cc1ccc(C(=O)NCC(=O)NNC(=O)c2ccccc2)s1	28201674	GRDVHMSTBLEYDV-UHFFFAOYSA-N	317.370	1.248	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1csc(-c2ccoc2)n1	110761859	UECSTLLYTQNYLT-UHFFFAOYSA-N	317.330	1.509	50	20	DDGD	
Cc1ccc(O[C@@H](C)C(=O)NNC(=O)c2c[nH]nc2C)cc1	109858993	FYFXQBGHLVRETK-NSHDSACASA-N	302.334	1.255	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1	108930694	ZRZQYISIUUWOEY-NWDGAFQWSA-N	311.769	1.563	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)[C@H]3CCOC3)[nH]n2)cc1	119614636	LOMIRYGUMCBXQH-LBPRGKRZSA-N	314.345	1.183	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc2ccccc2oc1=O	61527356	BICQHYGOZVGSFO-UHFFFAOYSA-N	311.297	1.206	50	20	DDGD	
CSc1cccc(C)c1NC(=O)NNC(=O)c1cnn(C)c1	184986313	ZIIINVLMVWOQQE-UHFFFAOYSA-N	319.390	1.917	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNc1cccnn1)c1nc(C2CC2)no1	172461441	PUHWNYMNWYWITB-LLVKDONJSA-N	317.353	1.760	50	20	DDGD	
COc1ccc(CCCC(=O)NNC(=O)c2ccccn2)cc1	61341614	KHUKDPJNBVXPCM-UHFFFAOYSA-N	313.357	1.874	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCc2ccccc2)n1	175146596	JBDCFZQPKWMTIW-UHFFFAOYSA-N	301.350	1.662	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)Cn2nc(C)cc2C)c(F)c1	182814830	HVBCFAKODXBAEY-UHFFFAOYSA-N	319.340	1.800	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2ccc(Br)cc2)CCN1	178915551	DXJJQRRSFFGTCS-QMMMGPOBSA-N	312.167	1.418	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNC(=O)c2cccc(Cl)c2)C1	178829270	MBTQLMBWNQDONN-LLVKDONJSA-N	323.780	1.360	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)COC(C)(C)C)c1	181147378	RNECWGGAVSJPFK-UHFFFAOYSA-N	308.378	1.645	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NC[C@@H]1CCCS1	125399353	LXTGEATZAZJYOW-NSHDSACASA-N	311.382	1.594	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)N[C@H]1CCC[C@H]1CCO	188532121	PCEKWSYJBMJLAH-GJZGRUSLSA-N	319.405	1.501	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)C(=O)Nc2ccccn2)CC1	187495652	WOCLBLSDFJQXTB-TXEJJXNPSA-N	318.377	1.384	50	20	DDGD	
Cn1nccc1NC(=O)NNC(=O)c1ccc2ccccc2n1	124619504	NTGPQINRYMUYTJ-UHFFFAOYSA-N	310.317	1.435	50	20	DDGD	
CSC1(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)CC1	189646205	VSBGOLXBQOTVOY-UHFFFAOYSA-N	317.370	1.998	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1C(=O)NNC(=O)c1ccccc1O	79718054	FUZXNILOQRQAOF-UHFFFAOYSA-N	316.361	1.498	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@H](C)c2c(C)noc2C)o1	120140878	QYDOZYYXDYJOOV-MRVPVSSYSA-N	320.349	1.941	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@H](O)c1ccccc1	73495471	FZUWLAOZHHBUIF-OAHLLOKOSA-N	302.305	1.249	50	20	DDGD	
CN(NC(=O)c1ccc(OCC(F)(F)C(F)F)nc1)C(N)=O	182644343	YSQJTNXBAQWJGS-UHFFFAOYSA-N	324.234	1.016	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc(C(N)=O)nc1	181312334	XRVNKCKDINUTSL-UHFFFAOYSA-N	321.340	1.794	50	20	DDGD	
CC(C)(C)n1cc(NC(=O)NNC(=O)c2ccccc2O)cn1	186244612	YVJFGOURSQHZBC-UHFFFAOYSA-N	317.349	1.810	50	20	DDGD	
C[S@@](=O)c1ccc(C(=O)NNC(=O)NCc2ccco2)cc1	138953420	RGCCEBXIHDVLMK-QFIPXVFZSA-N	321.358	1.161	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(C)nn1Cc1ccccc1	44075830	OEROOCAJEKFWEH-UHFFFAOYSA-N	303.322	1.632	50	20	DDGD	
CO[C@]1(C)C[C@H](NC(=O)NNC(=O)c2ccc(C)o2)C1(C)C	84162737	RVLKJSWMKDWNGR-XHDPSFHLSA-N	309.366	1.736	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21	130092073	QPLCMEUDHCIFGZ-AEGPPILISA-N	303.362	1.082	50	20	DDGD	
CO[C@H](C)CS(=O)(=O)NNC(=O)c1cc2ccccc2o1	193333080	WFNXOACAUQUDSL-SECBINFHSA-N	312.347	1.032	50	20	DDGD	
CN(C[C@@H]1CCC[C@@H]1O)C(=O)/C(C#N)=C\c1ccc(O)cc1	194807199	LAHPHMMPHBZHPW-HYVKWYOVSA-N	300.358	1.919	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCc1nc2ccccc2[nH]1	136632912	GBNVFHWFHJDEIZ-UHFFFAOYSA-N	303.391	1.177	50	20	DDGD	
CCOC[C@@H](NC(=O)NNC(=O)Cc1cccnc1)C(C)C	191796424	LZJLCKVECTTZPG-CYBMUJFWSA-N	308.382	1.016	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC[C@]12CCOC2=O	194880022	BTZPECISNKSJAH-JIIJFUIFSA-N	312.325	1.607	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn(C(C)C)c2)c(O)c1	190476852	SCEQMKIPXWIDIW-UHFFFAOYSA-N	302.334	1.553	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(F)c(F)c(F)c1	94120979	CBVZYQPIFFHMBS-UHFFFAOYSA-N	323.365	1.576	50	20	DDGD	
CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NNc2ccccc2)C1	268961562	ISQSWEURPAOFJO-CYBMUJFWSA-N	321.377	1.766	50	20	DDGD	
CN1CCC[C@@H]1CNC(=O)NNc1ncnc2ccsc12	268850172	FTKIGIBNFQJPQL-SECBINFHSA-N	306.395	1.412	50	20	DDGD	
CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NNc1nccn(C)c1=O	267269435	ZAWIDJNWHXXCLD-AGIUHOORSA-N	322.409	1.597	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNC(=O)COc1cc(C)ccc1C	268140506	HPSIOMLKQPHCJR-GFCCVEGCSA-N	322.361	1.029	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccccc1F)C1CCOCC1	268536740	JNINOMLERAHSKN-SNVBAGLBSA-N	309.341	1.585	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(CNC(C)=O)cc1	273466149	DUJUCWYIDPEABT-SNVBAGLBSA-N	306.366	1.522	50	20	DDGD	
CCCCN1C(=O)C[C@@H](C(=O)NN)[C@@H]1c1ccc(OC)cc1	368432858	GHTZTHDIDFBZDO-HIFRSBDPSA-N	305.378	1.375	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H](C)CCN(C)C)c1	272694635	WSUOAGOILXLYNI-NSHDSACASA-N	308.382	1.440	50	20	DDGD	
CCN(C[C@H]1CCCO1)C(=O)NNC(=O)c1ccccc1C	275917498	POAKRNQOULSXOI-CYBMUJFWSA-N	305.378	1.850	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1cccc([C@@H]2CCOC2)c1	270548648	NPOMRERXTMIZGQ-GFCCVEGCSA-N	324.344	1.614	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=O)N2CCN(C)CC2)cc1	278618477	MIDQUZRPPDHELN-UHFFFAOYSA-N	304.394	1.412	50	20	DDGD	
COc1ccc2c(c1)[C@@H](C(=O)NNC(=O)c1cc(C)n[nH]1)CC2	278103692	LOJVRVAFDVIRTC-LBPRGKRZSA-N	314.345	1.218	50	20	DDGD	
Cc1noc(CCCC(=O)NNc2cccc(F)c2[N+](=O)[O-])n1	279390987	REUIFPLLQNWKBS-UHFFFAOYSA-N	323.284	1.891	50	20	DDGD	
COC(=O)c1cc(OC(=O)[C@@H]2C[C@]23CCOC3)ccc1[N+](=O)[O-]	373406306	ISNXHOFKUJGTBZ-NHYWBVRUSA-N	321.285	1.713	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(C(=O)OC)cc1OC	275758862	ONNLUQRIZYIPNQ-VIFPVBQESA-N	323.349	1.681	50	20	DDGD	
CSC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	282822794	OFQGBQZNISGLKR-SNVBAGLBSA-N	309.391	1.080	50	20	DDGD	
CS[C@@H](C)CNC(=O)NNc1ccc(-n2ccnc2)nn1	286566025	BMWCKAQETXTMNB-VIFPVBQESA-N	307.383	1.040	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ncccc1F)N1C[C@@H](C)O[C@H](C)C1	285920127	IVDDPNKZPRTJOF-BZPMIXESSA-N	324.400	1.798	50	20	DDGD	
Cc1cccc2c1OC[C@@H](NS(=O)(=O)CBr)C2	289484117	JCFQFFHNYYDAFW-JTQLQIEISA-N	320.208	1.570	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)CC1	285892390	MJBNHYWQHQFAMD-UHFFFAOYSA-N	318.421	1.586	50	20	DDGD	
CC(C)(C(=O)NNc1c(F)cccc1F)S(=O)(=O)C1CC1	285323694	QGLBMTIPRPDDGX-UHFFFAOYSA-N	318.345	1.764	50	20	DDGD	
CO[C@H](C)CN(C)C(=O)NNC(=O)C(C)(C)c1ccccc1	287454048	REIZNEWCIHEWAP-GFCCVEGCSA-N	307.394	1.672	50	20	DDGD	
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1cccc(F)n1	286391981	GRWYOJBQTFXGTQ-VIFPVBQESA-N	312.345	1.967	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2ccc(C(C)(C)C)s2)CC1	288085670	VODPGOQBJKQKCV-UHFFFAOYSA-N	324.450	1.647	50	20	DDGD	
O=C(NCc1ccccc1Cl)NNC(=O)[C@@H]1CCCCO1	296445544	UCPCCIIUVBRAIV-LBPRGKRZSA-N	311.769	1.740	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	294471122	VCCSZGDSBSLJGW-GWCFXTLKSA-N	312.341	1.556	50	20	DDGD	
CCC[C@H](C)N(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	297884227	NOSQAYRMFXBXFW-NSHDSACASA-N	322.365	1.476	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cccc(C#N)n2)cc1	809958620	FLYHHQVZWHOZNZ-UHFFFAOYSA-N	310.313	1.102	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)COC1CCOCC1	805381063	AVRHWSMNGXIGGN-UHFFFAOYSA-N	309.322	1.542	50	20	DDGD	
CC(C)(C)N1CCC(NC(=O)NNc2ncncc2F)CC1	293004585	OAVHQAMITWGAHW-UHFFFAOYSA-N	310.377	1.505	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNc1ccc([N+](=O)[O-])cc1C	291044602	ZKKQPSONTQPYFP-VIFPVBQESA-N	309.322	1.936	50	20	DDGD	
Cc1cc(O)nc2cc(C(=O)NNC(=O)NC(C)C)ccc12	291474606	JSILLYIQPIFPBN-UHFFFAOYSA-N	302.334	1.601	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)s1	294371192	WAFVKKARXHIOAK-CABZTGNLSA-N	324.402	1.734	50	20	DDGD	
COc1ccc(C[C@H](C)CNC(=O)NNc2ccncn2)cc1	296450070	KEOYLPRZURMTEN-LBPRGKRZSA-N	315.377	1.990	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)C[C@@H]1CCCC(=O)N1	291792698	XIVWYHUDHONQFV-NSHDSACASA-N	304.350	1.207	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1ccc(Cl)nn1	803438209	IEJPWUGXLCLSPB-UHFFFAOYSA-N	315.720	1.728	50	20	DDGD	
C[S@@](=O)C1(CNC(=O)NNc2cccc(Cl)n2)CCC1	293413978	QXBMEZXYCGALKK-HXUWFJFHSA-N	316.814	1.662	50	20	DDGD	
CS[C@H](C)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	291328784	VKGHCVAKTUBJTE-SECBINFHSA-N	317.436	1.132	50	20	DDGD	
Cc1noc(CCCNC(=O)NNc2ncc(F)cc2F)n1	297799475	VZVPCYADRVXWCN-UHFFFAOYSA-N	312.280	1.310	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC[C@H]2CCCC2(C)C)n1	297227006	FPGKVWKBJANOIN-CYBMUJFWSA-N	321.425	1.657	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CCC(=O)NNC(=O)OC(C)(C)C	299541830	UOGGQHUWUBJULD-UHFFFAOYSA-N	313.314	1.046	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(Br)cc(N(C)C)c1	292876022	YILWEJNGCSUMCN-UHFFFAOYSA-N	315.171	1.089	50	20	DDGD	
Cc1ccnc(C)c1NC(=O)NNC(=O)c1ccccc1O	806538080	VGSOCNMIJYTMBM-UHFFFAOYSA-N	300.318	1.871	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1nc(C(C)(C)C(=O)OC)cs1	293911897	DMRPYFITEASYIK-VQHVLOKHSA-N	323.374	1.976	50	20	DDGD	
CC(C)[C@@](C)(NC(=O)[C@H](Br)C(C)(C)C)C(N)=O	804427524	CTUNDBPZLDMPCX-QPUJVOFHSA-N	307.232	1.812	50	20	DDGD	
NC(=O)c1ccc(F)c(NC(=O)NNc2cccc(F)n2)c1	806219736	MICHCZNATCISHU-UHFFFAOYSA-N	307.260	1.607	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C(F)=C1CCCC1	807369917	PTNAXZCSOYZLGH-UHFFFAOYSA-N	302.346	1.721	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cccc(O)n2)cc1	803396066	AKYOHESRSJRUMN-UHFFFAOYSA-N	302.290	1.262	50	20	DDGD	
O=C(NNC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)c1ccnnc1	817693213	KUINHQXFMZLMRV-CHISNJGVSA-N	318.352	1.546	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F	814714305	APMPLYBQTHJDLI-UHFFFAOYSA-N	317.223	1.785	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1ccc(OCC(F)(F)F)cc1	816631705	BAENNUXVAPAMAE-UHFFFAOYSA-N	301.228	1.503	50	20	DDGD	
CCn1c(S)nc2cc(C(=O)NN(C)C3CC3)ccc2c1=O	819643721	MCYWMBGTJFJCBC-UHFFFAOYSA-N	318.402	1.444	50	20	DDGD	
Cc1cnn(C)c1C=NNC(=O)Nc1ccc2c(c1)OCO2	814991898	CCVVPFZBUJBDHX-UHFFFAOYSA-N	301.306	1.613	50	20	DDGD	
Cc1c(F)cccc1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	817243759	NJSNQJGVPCIOTK-LLVKDONJSA-N	324.352	1.873	50	20	DDGD	
CCc1c(C(=O)NNC(=O)NCCc2cccs2)ccn1C	813424976	ZSCTXOWGSDHOSL-UHFFFAOYSA-N	320.418	1.836	50	20	DDGD	
CCC[C@@H]1C[C@H]1C(=O)NNC(=O)CNc1ccccc1OC	812456250	UKVQBVYGHHWDPV-VXGBXAGGSA-N	305.378	1.691	50	20	DDGD	
CCn1cccc(CNC(=O)NNc2cccc(Cl)n2)c1=O	814325991	RSEQSBVHZLDPSP-UHFFFAOYSA-N	321.768	1.743	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1cc(CO)ccc1O	814951208	RVWMSZKRRPGAJM-UHFFFAOYSA-N	316.313	1.119	50	20	DDGD	
Nc1ccc2c(c1)C(=NNC(=O)C(=O)NC1CC1)CCCC2	817322695	IIOPCQULUHCXNK-UHFFFAOYSA-N	300.362	1.094	50	20	DDGD	
CS(=O)(=O)CC1CCC(=NNC(=O)NC2CCCC2)CC1	814818677	DHGOVNQYWQZEFQ-UHFFFAOYSA-N	315.439	1.819	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)[C@H](C)CN1CCCCCC1	811635047	KFLQUIGHRWQSTG-HIFRSBDPSA-N	322.453	1.659	50	20	DDGD	
CN(NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)C1CC1	819642307	IJLYXRZUKNMKGJ-UHFFFAOYSA-N	315.295	1.561	50	20	DDGD	
COCCC(C)=NNC(=O)c1csc(N2CCOCC2)n1	814751153	HWTLTCCHWWIPAA-UHFFFAOYSA-N	312.395	1.122	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)/C(F)=C/C1CCCCC1	814542596	KUBCALWXNPYQLU-WJEYQPDNSA-N	314.357	1.909	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc2c(c1)OC(F)(F)O2	822800123	QMUBXGGXJNQVSY-UHFFFAOYSA-N	301.249	1.362	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H]1CCN(CC(F)F)C1	491104230	NBHDIUSTWIONNP-OTAKNEKHSA-N	321.327	1.755	50	20	DDGD	
C#C[C@H](C)NC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	820439713	CCJCORHCAJPJIU-WCQYABFASA-N	303.362	1.423	50	20	DDGD	
COc1ccc(Cl)cc1NCC(=O)NNC(=O)NC1CC1	727104182	YTJDTSYFILTCOF-UHFFFAOYSA-N	312.757	1.253	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(Cl)ccc1OC(F)F	823946601	LFFXESSWHSTWDO-SSDOTTSWSA-N	308.712	1.899	50	20	DDGD	
NC(=O)c1ccc(C=NNC(=O)CCc2ccccc2O)cc1	729933959	ACWOVSDLBUWTOV-UHFFFAOYSA-N	311.341	1.574	50	20	DDGD	
Cc1ncsc1CN(C)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	827301030	VNPKTWDMMZYQHL-UWVGGRQHSA-N	312.395	1.049	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H](C)c1cccc(O)c1	826993389	OAZHRZPRXURMID-NRUUGDAUSA-N	307.350	1.209	50	20	DDGD	
CCCN(NC(=O)C(=O)c1cccn1C)C(=O)OC(C)(C)C	497103733	YHFDLMRBADSRFL-UHFFFAOYSA-N	309.366	1.886	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)c3cocn3)cc2C1	729301348	LEFBQLBOQKVMNT-MRVPVSSYSA-N	305.359	1.936	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@](C)(O)c1cccc(C(F)(F)F)c1	495760988	IWONPBGIDQKBKY-GFCCVEGCSA-N	320.267	1.642	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H](c1ccccc1)[C@H]1CCCO1	585020184	ZCHWHSWTRJDKHE-MSOLQXFVSA-N	311.190	1.376	50	20	DDGD	
CN(C(=O)c1ccc(B(O)O)cc1)C1CC(c2ccccc2)C1	584962805	RFRAXPHTPVCBQW-UHFFFAOYSA-N	309.174	1.385	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CC(C)(C)CNC(=O)OC(C)(C)C	822559109	ZHQMBCSFGXOBPT-LLVKDONJSA-N	317.430	1.271	50	20	DDGD	
CC[C@@H](C)n1ncc(NC(=O)c2cccc(B(O)O)c2)c1C	584981432	VWQMIWUDBAYFRN-SNVBAGLBSA-N	301.155	1.095	50	20	DDGD	
COc1ccc(-c2cc(C(=O)NN(C)[C@@H](C)CO)n[nH]2)cc1	823947529	YVLBQNVQHPDLGN-JTQLQIEISA-N	304.350	1.043	50	20	DDGD	
ICCN1CCC[C@@H](n2ccnn2)C1	823469192	QYMXPJYLXOXCEV-SECBINFHSA-N	306.151	1.350	50	20	DDGD	
O=C(NNc1cccc(F)c1F)c1c[nH]c(-c2nn[nH]n2)c1	826449142	DDLDKJJZYVKWNC-UHFFFAOYSA-N	305.248	1.230	50	20	DDGD	
Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CC[C@H](B(O)O)C1	585076811	ZPMMQODUZNFIAC-MNOVXSKESA-N	311.574	1.491	50	20	DDGD	
Cc1nn(C)cc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)O)cc1	490783199	NUXUVWWNYWCNSN-KPKJPENVSA-N	310.313	1.972	50	20	DDGD	
CCOC1(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)CCCC1	826867779	RBTGHPVNULQENF-RYUDHWBXSA-N	313.398	1.091	50	20	DDGD	
O=C(COCc1ccccc1)NNc1cccc(-c2nn[nH]n2)c1	826417001	ZGVAQUIVTTZKKI-UHFFFAOYSA-N	324.344	1.527	50	20	DDGD	
CNc1ccc(C(=O)NNC(=S)N[C@H](C)C2CC2)cc1F	824328769	XYBGCVXDBOSYCQ-MRVPVSSYSA-N	310.398	1.775	50	20	DDGD	
Cc1ncsc1/C=C/C(=O)NNC(=O)N=c1cc[nH]cc1	492809019	FERRHGOKCHROGE-NSCUHMNNSA-N	303.347	1.135	50	20	DDGD	
CC(C)(C)C1CCC(O)(CNCc2ccc(B(O)O)o2)CC1	585023377	KMKDOXLVSAHKDC-UHFFFAOYSA-N	309.215	1.016	50	20	DDGD	
N#Cc1ccc(N2CCC[C@@H]2C(=O)NNc2cccnn2)cc1	736710649	ILEHULXMRJRKCZ-CQSZACIVSA-N	308.345	1.460	50	20	DDGD	
O=C(NNc1cccnn1)c1cn(-c2ccc(Cl)cc2)nn1	736704351	RXPNYZPKGVQREH-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
Cc1cccc2c1OC[C@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C2	491105127	PLBQCPMCKDAQGF-OBHDYHNASA-N	322.368	1.755	50	20	DDGD	
C[C@]12CN(C(=O)c3cc(B(O)O)ccc3F)C[C@H]1[C@@H]1CC[C@H]2C1	584998250	CWZPLVRARNMFKP-NDIKUOACSA-N	317.169	1.014	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccnc1	497228007	MWZJMPXHMVSXBV-CYBMUJFWSA-N	316.361	1.448	50	20	DDGD	
CCOc1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)ccc1C	831422559	ZWQBNSCNADLNKN-WCQYABFASA-N	321.377	1.971	50	20	DDGD	
CCC[C@@H](C)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	736419786	OLYZFPOSTLWZDE-MRVPVSSYSA-N	307.358	1.857	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1ncon1	832825927	MAIIGEKCCXEBEH-BQBZGAKWSA-N	306.244	1.199	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C#CC(C)(C)C)c1	837310628	DRIIFUVVKPLDNV-UHFFFAOYSA-N	302.374	1.879	50	20	DDGD	
C[C@@H]1CCCCN1CCCCNCc1ccc(B(O)O)cc1	585015642	IHUJCLBTQOQCEH-OAHLLOKOSA-N	304.243	1.111	50	20	DDGD	
CC1=NO[C@@](C)(C(=O)NNC(=O)c2ccc(Cl)cc2F)C1	903701025	KOJGGHGESJBGKI-CYBMUJFWSA-N	313.716	1.795	50	20	DDGD	
Cn1c(=NNC(=O)CCc2cnc[nH]2)sc2ccccc21	588565125	OALQYDRBSLQNDL-UHFFFAOYSA-N	301.375	1.528	50	20	DDGD	
CCCOc1ccc(/C=C/C(=O)NCB(O)O)cc1OCC	585056117	KASNDOSDKMQVPE-SOFGYWHQSA-N	307.155	1.016	50	20	DDGD	
CC[C@H]1CCCCN1CCNC(=O)NNC(=O)C1CCCC1	737068123	UWEBHYMQJHXQHU-AWEZNQCLSA-N	310.442	1.772	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccccc1OC1CCC1	735654632	OFDNZAGSWYTEQU-UHFFFAOYSA-N	321.377	1.598	50	20	DDGD	
C[C@H](COc1ccc(F)cc1)NCc1cccc(B(O)O)c1	585019041	ZXLZGNQNNSJWPS-GFCCVEGCSA-N	303.142	1.063	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C1C(=O)Nc2ccc(C(C)C)cc21	735412064	JKGZFMFESKOUQZ-UHFFFAOYSA-N	311.345	1.928	50	20	DDGD	
C[C@@H]1CCC[C@@H](OCC(=O)NNC(=O)c2ccccc2O)C1	732996916	PBAADYMFNCTMAD-VXGBXAGGSA-N	306.362	1.749	50	20	DDGD	
CC[C@@H]1CCC[C@H]1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	832894036	JBRWPPUDXISXGN-JHJVBQTASA-N	302.440	1.305	50	20	DDGD	
C[C@H](CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)CC(C)(C)C	917621607	GDSQXQHGYSXPCQ-OLZOCXBDSA-N	318.483	1.941	50	20	DDGD	
CS[C@H](C(=O)NNC(=O)c1c[nH]nc1C)c1ccccc1	739724144	LRYQAYSSHJIAMN-LBPRGKRZSA-N	304.375	1.583	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1	910162031	BZBSVJUAJQIPJA-BBRMVZONSA-N	323.412	1.524	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2ccc(CO)cc2)c1	916593587	SPYLJKFLAUJINM-UHFFFAOYSA-N	313.357	1.320	50	20	DDGD	
O=C(NNc1ccccc1F)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	748048954	BYVCUVADPAPTBT-UHFFFAOYSA-N	314.276	1.112	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NC[C@H]1CCC[C@@H](C)C1	748627096	WZWLCACDMJVFMO-UPJWGTAASA-N	315.414	1.195	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@@](C)(O)C2CC2)c1	843869870	GDLLGVYRPJCHDG-HNNXBMFYSA-N	306.366	1.384	50	20	DDGD	
CC[C@H](N)CNC(=O)NNC(=O)c1cccc2ccccc12	842004450	FFERAYBPVYLTJU-LBPRGKRZSA-N	300.362	1.521	50	20	DDGD	
COc1nccnc1NNC(=O)[C@](C)(O)[C@H](C)c1ccccc1	840572318	RNTOQIIFCMNECJ-BDJLRTHQSA-N	316.361	1.483	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cnc2c(c1)C[C@H](N)CC2	841321354	HGRVHTYVPQHWBS-LLVKDONJSA-N	305.382	1.096	50	20	DDGD	
O=C1C[C@@H](C(=O)NNC(=O)C2CCCC2)c2ccc(F)cc2N1	914844328	VOQVRAPIMONBDE-GFCCVEGCSA-N	319.336	1.589	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2COCc3ccccc32)o1	842187848	BBUIUPWVOVRTFK-CYBMUJFWSA-N	315.329	1.804	50	20	DDGD	
COc1cc(CC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)ccc1C	843643027	LDRRISHZBRLMEO-YPMHNXCESA-N	306.362	1.119	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)NNc1ccccn1	747108048	KGBHWCOPQVZNRE-UHFFFAOYSA-N	315.333	1.208	50	20	DDGD	
CCc1c(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cnn1C(C)(C)C	843648526	XVZKIDUUQUBORK-GHMZBOCLSA-N	322.409	1.387	50	20	DDGD	
C[C@]1(CNC(=O)CNC(=O)N2CCCC2)C[C@H]1Br	912827032	GMWDWHHLYLXPOQ-BXKDBHETSA-N	318.215	1.082	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H](COC)C(C)C)cc1	743637017	IVHDRBMLVAFETQ-CQSZACIVSA-N	307.394	1.864	50	20	DDGD	
O=C(CCCn1cccn1)NNC(=O)NCCc1cccs1	749174880	YFFWCDTUXMUDOQ-UHFFFAOYSA-N	321.406	1.298	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)C2(C(=O)NC3CC3)CC2)o1	749941827	OXVDCTQDMQLTNE-UHFFFAOYSA-N	317.349	1.172	50	20	DDGD	
Cc1nonc1CC(=O)NNc1ncnc(Cl)c1C(C)C	846262606	SBIZNYOJFYDJJY-UHFFFAOYSA-N	310.745	1.631	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cc(C)cc2cccnc12	917744879	IXBSNSKCDLFILE-LLVKDONJSA-N	321.402	1.899	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)c2sc(N)nc2C)o1	915959419	DGDFYXLLSDIQST-UHFFFAOYSA-N	308.319	1.177	50	20	DDGD	
Cc1ncc2n1C[C@@H](C(=O)NN=c1cc[nH]cc1Cl)CC2	845946571	FBAXDDJQWSXLKJ-JTQLQIEISA-N	305.769	1.368	50	20	DDGD	
Cn1ccnc1[C@H](CC(=O)NNC(=O)C1CCC1)C(F)(F)F	847482023	PDIZHSLMKRIEKR-VIFPVBQESA-N	318.299	1.404	50	20	DDGD	
C#CCCCNC(=O)NNC(=O)c1cc(C)nc2ccccc12	745901419	JBRGQYGHSFTCTM-UHFFFAOYSA-N	310.357	1.901	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)Cc1nc(C2CC2)nn1C	843869241	LAEMHTVWWZDTGT-UHFFFAOYSA-N	315.381	1.292	50	20	DDGD	
O=C(CSCC(=O)c1ccccc1)NNC(=O)C1CCCC1	748557292	AWORUDZWDFRVGX-UHFFFAOYSA-N	320.414	1.940	50	20	DDGD	
CCn1cncc1C=NNC(=O)[C@H](C)Oc1ccccc1F	841613203	UWVNKUGREZEZRM-NSHDSACASA-N	304.325	1.960	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)[C@H]1c1ccccc1	748822294	AQTXEKQBXMXQGL-IUODEOHRSA-N	303.406	1.873	50	20	DDGD	
C[C@H](C(=O)NNc1nc2ccccn2n1)C(=O)OC(C)(C)C	840439161	DIHQBGVVABKSBY-SECBINFHSA-N	305.338	1.150	50	20	DDGD	
CO[C@@]1(CNC(=O)NNc2ccc(F)cc2Cl)CCOC1	921984853	KVWYNVJATXIDSR-CYBMUJFWSA-N	317.748	1.911	50	20	DDGD	
O=C(NNC(=O)[C@H]1Cc2ccccc21)c1ccc(Cl)nc1	742047848	GPGDNDYYTCSIOS-LBPRGKRZSA-N	301.733	1.836	50	20	DDGD	
CC(C)O[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccccc1	843654043	GRQWZIAYNSQHMX-CFVMTHIKSA-N	320.389	1.725	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cn(C(C)C)nc2C)n1	847008073	KRYSIKRLKOFKJE-UHFFFAOYSA-N	301.350	1.551	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2cccc(F)n2)CC(C)(C)O1	852709115	CYGCDZIOYDWQTP-SECBINFHSA-N	310.329	1.074	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)C(=O)NNC(=O)c1cccc(Cl)n1	857324756	MHWOMUFOVROILS-VIFPVBQESA-N	321.768	1.108	50	20	DDGD	
C[C@H](N)CN(C)S(=O)(=O)c1ccc(CCCCl)cc1	858641224	CZLPXBIQCBCFRX-NSHDSACASA-N	304.843	1.826	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNc2ccc(Cl)cc2C)c(=O)n1	928337295	OTZYHDJMMKTURJ-UHFFFAOYSA-N	320.780	1.965	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(-c2ccc[nH]2)cc1	757892016	NYWGMZYGWKOJKK-UHFFFAOYSA-N	302.334	1.871	50	20	DDGD	
CCCCS[C@H](C)C(=O)NN(C)C(=S)NCCCOC	854279700	BHDUDDZWEVPTDX-LLVKDONJSA-N	321.512	1.782	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@H](C(=O)O)C2)C[C@@H]1Br	857101434	XKCQTOZEJUOGHQ-DKCNOQQISA-N	305.172	1.276	50	20	DDGD	
COc1ccc(N(C)CC(=O)NNC(=O)C(C)(C)C)cc1F	757853201	WAZOLFGWUHMJNU-UHFFFAOYSA-N	311.357	1.464	50	20	DDGD	
Cn1cc(C=NNC(=O)CC23CC4CC(CC(C4)C2)C3)nn1	755525558	SNKGXWRGAKOXFZ-UHFFFAOYSA-N	301.394	1.872	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccc(Cl)nn2)[C@H]2CCCC[C@H]2N1	857129229	HRVHJCRHKSSPDP-KXUCPTDWSA-N	323.784	1.268	50	20	DDGD	
CONC(=O)CNC(=O)NNc1cc(C(F)(F)F)ccc1F	927213808	WFHCPQZJWICAPW-UHFFFAOYSA-N	324.234	1.148	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C)c1nc2ccccc2s1	920431748	MSQCUAQZBUUOKY-UHFFFAOYSA-N	306.391	1.536	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CCOC[C@H](C)C2)cc(C#N)n1C	754231815	FIZILZULTYGDKD-BYQGBLLGSA-N	312.373	1.607	50	20	DDGD	
CN(Cc1cnn(C)c1)C(=O)NC[C@@]1(C)C[C@@H]1Br	856899101	AMQIXLOQIYSTGK-CMPLNLGQSA-N	315.215	1.735	50	20	DDGD	
CO[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2F)C1(C)C	753430594	PGKPEJLNMKOCLT-NEPJUHHUSA-N	309.341	1.583	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)c2cc(C)cs2)C12CCC2	858706862	BZPXOXAUQHVDHK-RYUDHWBXSA-N	323.418	1.958	50	20	DDGD	
COCCOc1ccccc1C=NNC(=O)NCC(F)(F)F	751526426	KIBWBDURKFBHSV-UHFFFAOYSA-N	319.283	1.907	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)[C@@H]1COCCN1CC(F)F	856091683	TWTATVHWGKSBGO-VIFPVBQESA-N	320.727	1.144	50	20	DDGD	
CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)NNc1cccc(F)n1	852692948	DWJJKEOEIDAPBM-BMIGLBTASA-N	324.356	1.969	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cc(C(=O)OC)ccc1C	929255478	VWRVDAAZCKKIAS-UHFFFAOYSA-N	317.345	1.738	50	20	DDGD	
Cc1cc(C(=O)NNc2cc(Cl)nc(N)n2)c2n[nH]cc2c1	753450182	PDEGRGJJVGXXFC-UHFFFAOYSA-N	317.740	1.654	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)c2ccc3ccccc3c2O)nn1	757401881	GMRWLTDUCGIQKA-UHFFFAOYSA-N	323.312	1.191	50	20	DDGD	
O=C(NCCCC(F)(F)F)NNC(=O)c1cccc(F)n1	852162169	YSEPDEIMFVKXPN-UHFFFAOYSA-N	308.235	1.507	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	751517476	LGNUVZJNBZBPFU-UHFFFAOYSA-N	321.280	1.297	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN([C@H]2CCC(=O)NC2=O)C1	852524719	NTFZXHLGNQYEBF-RYUDHWBXSA-N	312.486	1.888	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1cccc2[nH]ccc12	755678617	JZWDZAIPGYCODC-UHFFFAOYSA-N	310.313	1.641	50	20	DDGD	
N#CSCCCNC(=O)c1ccn(CCn2cccn2)n1	854359740	QKGIUGKWUVFNNQ-UHFFFAOYSA-N	304.379	1.114	50	20	DDGD	
C[C@@H]1COC[C@@H]1NC(=O)NNC(=O)Cn1ccc2ccccc21	926004169	MUUSMQGBOLCWSU-YPMHNXCESA-N	316.361	1.007	50	20	DDGD	
O=C(COCC1CC1)NNC(=S)NCCc1cccs1	753014370	HEVHKFPVKFFXQZ-UHFFFAOYSA-N	313.448	1.213	50	20	DDGD	
CCn1ccc(C(=O)NNc2ccc(C)c(C(=O)OC)c2)n1	857263884	FTLJGCKXLXFAMO-UHFFFAOYSA-N	302.334	1.755	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccccc1O[C@H]1CCOC1	757679781	WQQUCEIFCANCKX-NSHDSACASA-N	323.349	1.044	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cnccn2)cnc1Cl	757628890	IEUPSLBZPKBXAX-UHFFFAOYSA-N	306.713	1.300	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)C(C)(C)C)C(=O)OC	752170732	LBYVZUDVGLJXDD-UHFFFAOYSA-N	301.387	1.342	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccccc1CN1CCNC1=O	757923255	FOJDXQVKPZLMTM-UHFFFAOYSA-N	319.365	1.021	50	20	DDGD	
CCCCCS(=O)(=O)CC(=O)NNc1ncc(Cl)cn1	857356800	XYHHHCGEOGVAEY-UHFFFAOYSA-N	320.802	1.178	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H]2CCCc3nn[nH]c32)n1	854956081	DOKASNFARMOICO-SSDOTTSWSA-N	307.745	1.120	50	20	DDGD	
CN1CC=C(CNC(=O)NC[C@]2(C)C[C@H]2Br)CC1	856952459	DKIBJCKSRNFQAI-YPMHNXCESA-N	316.243	1.721	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNc2nc(-c3ccncc3)no2)[C@@H]1C	859073397	YHNFKWOPZXTXBM-KLBPJQLPSA-N	317.349	1.634	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)c1	759310031	AZXIQOKVRBIDSS-LLVKDONJSA-N	323.368	1.782	50	20	DDGD	
COc1cccc(C(=O)NNC(=S)N[C@H](C)C2CC2)c1C	855094910	HLIUDZXFCWGQJY-SNVBAGLBSA-N	307.419	1.911	50	20	DDGD	
O=C(CCc1ccncn1)NNC(=O)c1ccc(Cl)cc1O	755336288	ICSMYOUZAAVYTO-UHFFFAOYSA-N	320.736	1.229	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CC[C@H]2CCOC2)cc1C	751298143	XEVGVRDPTMFVKE-AWEZNQCLSA-N	320.389	1.646	50	20	DDGD	
Cc1ccc(Br)c(C(=O)NNC(=O)C2CCC2)n1	932516946	ORYGKJUKQDHAAZ-UHFFFAOYSA-N	312.167	1.714	50	20	DDGD	
CSc1cc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)co1	868434842	LLNCHERQQCBOAE-JTQLQIEISA-N	318.420	1.107	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N(C)C[C@H]2C[C@@H](O)C2)cc(C#N)n1C	863385444	FOERQBOJFMUESZ-XWADDMKXSA-N	312.373	1.341	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)Cc2cc(F)c(C)cc2F)n[nH]1	869017993	XEGKXELOWADAOS-UHFFFAOYSA-N	322.315	1.237	50	20	DDGD	
COC(=O)c1ccc(S(=O)(=O)NCC(Cl)Cl)o1	867471391	IDANDSHVNBXKBL-UHFFFAOYSA-N	302.135	1.148	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNc1ccccc1C(=O)OC	760017924	LMWBZXVHEQNFEB-UHFFFAOYSA-N	314.345	1.891	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@H]1C(=O)NNc1ncc(F)cn1	760911390	HSJSBNCOBVUUFL-PRHODGIISA-N	304.281	1.287	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2CCCN(CC(F)F)C2)n1	864690303	MTPVOIPIOKMVBC-LLVKDONJSA-N	313.352	1.514	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1ccc2occc2c1	861546572	DGQNMVDONOICSG-SNVBAGLBSA-N	321.333	1.637	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2CCN(CC(F)(F)F)C2)n1	862520110	GQXGLGPGWMDNKY-SNVBAGLBSA-N	302.300	1.717	50	20	DDGD	
O=C(CCc1cncc2ccccc12)NNC(=O)NCC1CC1	765325640	YIOQFVXMNXSBAT-UHFFFAOYSA-N	312.373	1.908	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cccc(OCC(F)F)n1	760331756	LBMKZIZMEYIJMW-UHFFFAOYSA-N	313.304	1.677	50	20	DDGD	
CCOC[C@@H]1CN(C(=O)/C(C#N)=C\c2ccc(O)cc2)CCO1	862957102	KETGWRSDXUNSTF-MBSJSRAVSA-N	316.357	1.563	50	20	DDGD	
O=C(CCCC[C@H]1CCSS1)NCCN1CC[C@@H](O)C1	863327258	AQPOMVGDPWXFEL-OLZOCXBDSA-N	318.508	1.883	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@H]1CC(=O)N(C2CC2)C1	768225143	CYSPRDMGYLSOGR-KWQFWETISA-N	317.227	1.676	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)n1	862523260	WHMFRLHLHUKROF-NSHDSACASA-N	322.434	1.781	50	20	DDGD	
Cc1nn(C)c(=O)c(C(=O)NNc2ccc([N+](=O)[O-])cc2)c1C	765198164	JKHNBHIIKLKSOD-UHFFFAOYSA-N	317.305	1.062	50	20	DDGD	
Cc1c(NNC(=O)c2cc3n(n2)CCCO3)cccc1[N+](=O)[O-]	762147351	YQGNDURVZPHCRT-UHFFFAOYSA-N	317.305	1.639	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccc(-n2nccn2)nc1	765146921	KBCBXIOQSSKZRE-UHFFFAOYSA-N	319.325	1.224	50	20	DDGD	
CN1CCC(CNC(=S)NNC(=O)c2ccccc2)CC1	760465121	DNPBIAUCNCWDNV-UHFFFAOYSA-N	306.435	1.137	50	20	DDGD	
CCO[C@@H](CC(=O)NNC(=S)NCC1CCC1)C(C)C	760841204	TZRFRTLSIKZGJR-LBPRGKRZSA-N	301.456	1.733	50	20	DDGD	
Cc1cc(C)n(-c2ccc(C(=O)NNc3ccn(C)n3)cc2)n1	1116852827	RWNDLSFUSYRTAT-UHFFFAOYSA-N	310.361	1.980	50	20	DDGD	
CCn1cc(C=NNC(=O)COCCOC)c2ccccc21	872403893	XEOQMCCADTZEJX-UHFFFAOYSA-N	303.362	1.774	50	20	DDGD	
CCn1ncc(C(=O)NNc2ncncc2Cl)c1C1CC1	879661818	JLYGMCSFZYPCEP-UHFFFAOYSA-N	306.757	1.981	50	20	DDGD	
CC[C@@H](C(=O)NNC(=S)Nc1cccc(Cl)c1)N(C)C	873785237	OWDOWHDIXSCASW-NSHDSACASA-N	314.842	1.998	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1cc(C(F)F)ccc1Cl	763516566	BEOGLEHZVQWAJI-UHFFFAOYSA-N	305.668	1.383	50	20	DDGD	
O=C(CCOCC(F)(F)C(F)F)NNc1ccc(F)cn1	874649675	WEYUBICGPSNAGR-UHFFFAOYSA-N	313.226	1.971	50	20	DDGD	
O=C(NNC(=O)c1ncccn1)c1cnn(C2CCCCC2)c1	1117959835	PFVFEFBIGYDWNA-UHFFFAOYSA-N	314.349	1.253	50	20	DDGD	
COc1cc(C)ccc1NC(=O)NNC(=O)C1CCOCC1	878409490	LPRWYRBZXJPZAB-UHFFFAOYSA-N	307.350	1.583	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNC(=S)Nc1cc(C)ccc1C	873756896	PPMZCGXXXWRTCX-HNNXBMFYSA-N	307.419	1.948	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)C(=O)NN=Cc1cccnc1	771570920	KYDHMWGQNKMAFD-UHFFFAOYSA-N	316.748	1.502	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@@H](C)N(C)C)cc1	873771218	OISNERPPACDGLD-SNVBAGLBSA-N	310.423	1.353	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNC(=O)c1ccc(OC)cc1)C(C)C	1119093328	QWNHZRAJQIZNKH-ZDUSSCGKSA-N	322.361	1.292	50	20	DDGD	
Cc1ccc(C(=O)NCC(=O)NNc2ncccc2Cl)s1	1116070071	AIILMAUSEIMPOC-UHFFFAOYSA-N	324.793	1.978	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCCC[C@H]1N1CCCCCC1	779821103	NSEORRJXFSJKGK-CQSZACIVSA-N	324.425	1.633	50	20	DDGD	
CN(C)c1nccc(CNC(=O)NNc2ccc(F)cc2)n1	776069542	PSYYLOPRMYCLRV-UHFFFAOYSA-N	304.329	1.508	50	20	DDGD	
N#Cc1ccc(S(=O)(=O)NNC(=O)C2CCC2)c(Cl)c1	779837915	YYSLVKPTJRXENG-UHFFFAOYSA-N	313.766	1.321	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=S)Nc2ccccn2)CCC1=O	1119115212	GDNNVFXYSTZZKE-ZJUUUORDSA-N	306.391	1.405	50	20	DDGD	
COc1ccc(OC)c(NC(=O)NNc2ncc(F)cn2)c1	775429528	YTYYEOMIADMOOD-UHFFFAOYSA-N	307.285	1.782	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc(O)nc(C(C)C)c1	775540400	TZENOUYRTOUOFQ-UHFFFAOYSA-N	303.322	1.017	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])cc1F	777868697	ASOCEAXQPPXHGJ-XFFZJAGNSA-N	307.281	1.794	50	20	DDGD	
COC(=O)C(=O)NN=C/C(C)=C/c1ccccc1OC(F)F	1117684539	ZZDACJRNDVVSSM-NMQNRQKQSA-N	312.272	1.966	50	20	DDGD	
CN1CCOc2ccc(C(=O)NNC(=O)NC3CCCC3)cc21	874244404	JGHKAAUSIWKSFW-UHFFFAOYSA-N	318.377	1.402	50	20	DDGD	
O=C1Cc2cc(C(=O)NNc3ccccn3)c(Cl)cc2N1	1116496351	BKELMAOWJUREFD-UHFFFAOYSA-N	302.721	1.987	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@H]1C1CCOCC1)c1ccccc1	776884699	MZXGWWPGPBZMJN-HNNXBMFYSA-N	317.389	1.932	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C2(C)CCOCC2)c1	874950079	NDDSKDBYKWRQGN-UHFFFAOYSA-N	317.414	1.802	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccnc1NC(C)C	772159292	KLNUCSXBUBGSJA-JTQLQIEISA-N	322.365	1.005	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)CN(C)C(=O)C1CC1	777478843	KNVYLWKGWVHMNY-UHFFFAOYSA-N	312.373	1.855	50	20	DDGD	
CC(=O)CCCC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	772991152	WCIPCEFOVXSNKZ-UHFFFAOYSA-N	314.345	1.393	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)Nc1cccn(C)c1=O	770502280	IZLVIHZVABPKSW-UHFFFAOYSA-N	302.338	1.447	50	20	DDGD	
CC1(N2CCCC2)CCC(=NNC(=O)[C@@H]2COCCO2)CC1	884434021	YBYISISTZHXQLO-LBAUFKAWSA-N	309.410	1.303	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1	781972057	OVWBGEDUOQXIEE-DGCLKSJQSA-N	308.382	1.320	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1F)[C@@H]1CCCc2nn[nH]c21	885153291	FHDCPJPCDQVLQB-SSDOTTSWSA-N	311.267	1.785	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@@H]1OCCc2ccccc21	781820063	PSACNKQSSDAIRJ-GFCCVEGCSA-N	304.737	1.887	50	20	DDGD	
CC(=NNC(=O)Cc1nc2ccccc2n1C)[C@H]1CCCO1	783806541	OOQIGHCTQFQUFU-CQSZACIVSA-N	300.362	1.787	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(F)c(F)c(F)c1F	880678657	MPEQLGHUSIGSSG-UHFFFAOYSA-N	308.235	1.941	50	20	DDGD	
Cc1ccc(F)c(NC(=O)C(=O)NNc2ncncc2Cl)c1	782165103	CVGFMTHWKSCDJN-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
C[C@@H]1CCCC[C@H]1C=NNC(=O)Cc1cc(O)nc(S)n1	783823039	YXUHBYZQPRKKBC-ZJUUUORDSA-N	308.407	1.942	50	20	DDGD	
COC(C)(C)CC(=O)NNC(=O)c1cc(-c2ccccc2)on1	784771201	JQAVXNNDFFONRL-UHFFFAOYSA-N	317.345	1.918	50	20	DDGD	
Cc1cccn2cc(CC(=O)NNC(=S)NC(C)(C)C)nc12	899995128	IMMUSQMUGGYTBQ-UHFFFAOYSA-N	319.434	1.479	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCOC1CCSCC1	899073014	VOGHLDVTWAZDFI-UHFFFAOYSA-N	303.428	1.275	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1F)c1nccnc1C	783512227	XBFINOPMDPOMQW-UHFFFAOYSA-N	302.309	1.843	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCSC(C)(C)CC1	789339827	ICXDXGHYRZQZTK-GFCCVEGCSA-N	315.483	1.786	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)o1	793625224	OBUKPYPTVZKTLK-BCWHTBRZSA-N	312.369	1.743	50	20	DDGD	
COc1cc2c(cc1OC)C(=NNC(=O)c1c[nH]nc1C)CC2	794514421	JVTOGDNMFGUXQN-UHFFFAOYSA-N	314.345	1.816	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ncccn1)NC(=O)OC(C)(C)C	792256645	JBCZPNJROFBGEV-VIFPVBQESA-N	310.358	1.016	50	20	DDGD	
CCO[C@H]1C[C@@H](NCC(=O)NNC(=O)C2CC2)C12CCCCC2	794574679	NQOUBHZSJOAAKQ-KGLIPLIRSA-N	323.437	1.261	50	20	DDGD	
CC1(C)CC(=NNC(=O)C(N)=O)c2cc(Br)ccc21	794458770	AWHYXKNPIRABAG-UHFFFAOYSA-N	324.178	1.436	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNC(=O)NCC(F)(F)F	798314424	LFRQEWIQUQEKAO-LURJTMIESA-N	321.303	1.413	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ccn(CC(F)F)n2)n1	790786125	REWORIUFKKRGAC-UHFFFAOYSA-N	316.699	1.657	50	20	DDGD	
C[C@@H]([C@@H](C)N(C)CCI)S(C)(=O)=O	190891395	PAPKBXYTWGAEBA-SFYZADRCSA-N	319.208	1.175	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C(C)c2ccc(O)nn2)c1	790149018	QWUDHEJYMZSTRB-UHFFFAOYSA-N	316.317	1.353	50	20	DDGD	
CCc1ccccc1OCCC(=O)NNC(=O)c1ccc[nH]1	794818764	RYVVBFWSBZHHDK-UHFFFAOYSA-N	301.346	1.807	50	20	DDGD	
CCCc1ccc(Cl)c(S(=O)(=O)NNC(=O)N(C)C)c1	790053251	NONMIKYCTQTIHB-UHFFFAOYSA-N	319.814	1.757	50	20	DDGD	
N#CCC1(CNC(=O)NNC(=O)c2ccc3ccccc3n2)CC1	797566048	UFHKCLJMORBDPT-UHFFFAOYSA-N	323.356	1.873	50	20	DDGD	
O=C(Cc1ccc(Br)cc1)N1CC[C@H](B(O)O)C1	585071306	PZZVWGPPRHIZQP-JTQLQIEISA-N	311.972	1.067	50	20	DDGD	
CCC1=C(C(=O)NNc2ccc(C(=O)OC)cn2)CCCO1	790824926	XNJKEDGZIIMZAF-UHFFFAOYSA-N	305.334	1.786	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cnc2c(F)cccc2c1	794365102	DUUXKYHRLBPKEH-UHFFFAOYSA-N	324.315	1.773	50	20	DDGD	
CC1(C)CC(=NNC(=O)C[N+](C)(C)C)c2ccc(F)cc2O1	794458226	YMEYUXAOJXJOPF-UHFFFAOYSA-O	308.377	1.913	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NN=C2C(=O)OC[C@@H]2C)c1C	794879387	JYWJLXKRRAONBB-CMPLNLGQSA-N	304.346	1.736	50	20	DDGD	
COCc1cc(C(=O)NNc2ccc(C(C)(C)C)nn2)no1	1318766508	VEWQTODPSMYTBG-UHFFFAOYSA-N	305.338	1.665	50	20	DDGD	
Cc1cc(NNC(=O)c2cn(C)nc2C(F)(F)F)ncn1	1318618084	ZVTHYCYTIJJNBX-UHFFFAOYSA-N	300.244	1.294	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1cnc(C2CC2)[nH]1	1319161889	LERMWIGUBRPYJY-UHFFFAOYSA-N	311.305	1.489	50	20	DDGD	
CNC[C@@H](C)CNC(=O)NNC(=O)Nc1ccc(Cl)cc1	1326134058	TVPFJNFMQCJTFR-SECBINFHSA-N	313.789	1.531	50	20	DDGD	
C[C@]1(CNC(=O)CO[C@H]2CCCNC2)C[C@H]1Br	1328505983	OSQAUMWTJALUPK-HOSYDEDBSA-N	305.216	1.045	50	20	DDGD	
CCOc1cnc(C(=O)NNC(=O)c2ccccc2Cl)cn1	1320472377	MXQULZPEVARNHI-UHFFFAOYSA-N	320.736	1.604	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ccc3[nH]ccc3c2)c1Cl	1322654962	HDBYOTJUQMONQS-UHFFFAOYSA-N	302.725	1.950	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1ncc(Cl)s1	1321492557	OHEHJVNFNPMWIX-UHFFFAOYSA-N	313.741	1.939	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCCCCC(=O)C2)cc1	1327650113	NHYYBOPQUZELER-ZDUSSCGKSA-N	318.373	1.996	50	20	DDGD	
Cc1onc(-c2cccnc2)c1C(=O)NNc1ncc(F)cn1	1322458869	OTDPTFZZIQOPJX-UHFFFAOYSA-N	314.280	1.731	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])[C@]1(F)CCOC1	1323091929	YQBHLNZBDQMSOA-NSHDSACASA-N	303.677	1.820	50	20	DDGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1NC[C@@H]2C[C@@H]21	1330701220	HIWZRJBLVWQURQ-INTQDDNPSA-N	319.752	1.441	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCCc1ccc(O)cc1	1261454054	XEAYYRIIXXSROV-BXUZGUMPSA-N	321.377	1.080	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cnn2c1NCCC2	1349404963	YPFAAOLMOKWSLM-UHFFFAOYSA-N	315.333	1.242	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1F)c1ccc(Br)s1	1348433864	KBCMDFFJAPVTGG-UHNVWZDZSA-N	307.144	1.630	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)CCc1nccn1C	1520353614	UBSARBRVAKJALZ-UHFFFAOYSA-N	316.361	1.653	50	20	DDGD	
O=C(Cc1nc(C2CCOCC2)n[nH]1)NNc1ccc(F)cc1	1527420678	RDKWIMVTPGSEOL-UHFFFAOYSA-N	319.340	1.524	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cc(=NCc2ccccc2)cc[nH]1	1527328972	LVPCDZHYXMZTIJ-UHFFFAOYSA-N	312.373	1.533	50	20	DDGD	
O=C(O)[C@@H](C(=O)NNc1cccc2c1OC(F)(F)O2)C1CC1	1605898183	OOBZOOAHPKDNIU-SECBINFHSA-N	314.244	1.562	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@H]2Cc3cccnc3C2)ccc1F	1608856514	AKBFCMLFFOIQTN-JTQLQIEISA-N	315.304	1.777	50	20	DDGD	
O=C(NCCC1(O)CCC1)NNc1ccc(C(=O)O)cc1F	1601492013	VNKVFGLHRBNTEW-UHFFFAOYSA-N	311.313	1.455	50	20	DDGD	
CCCOc1ccc(C(=O)NN[C@@H](CC)C(=O)O)cc1OC	1605339171	YEIMJHCYHQVZQW-NSHDSACASA-N	310.350	1.582	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CCn3ccnc3C2)c(F)c1	1602384259	DPOUHMWJSASUFJ-SECBINFHSA-N	318.308	1.426	50	20	DDGD	
O=C(NNC(=O)C(=O)O)N[C@@H](c1ccc(Cl)cc1)C1CC1	1601552838	JZUMPDINSXBPAJ-SNVBAGLBSA-N	311.725	1.206	50	20	DDGD	
O=C(O)[C@H]1Cc2ccccc2CN1S(=O)(=O)CCCCl	1601868617	KSKOLRRAJCMHEO-GFCCVEGCSA-N	317.794	1.457	50	20	DDGD	
O=C(NC[C@@]12CCC[C@@H]1C2)NNc1ccc(-c2nn[nH]n2)cn1	1606803871	ZWVYOGGSIGQQJU-YGRLFVJLSA-N	314.353	1.078	50	20	DDGD	
O=C(NN=Cc1ccccc1Cl)[C@H]1CN2CCC[C@@H]2CO1	1549314719	JYWYJMMAOLVJMN-TZMCWYRMSA-N	307.781	1.653	50	20	DDGD	
CC(C)[C@@H]1N(C)C[C@]12C[C@H](O)[C@H](NC[C@@H]1[C@H](C)[C@H]1Cl)C2	1550663980	IUHSNWQSRIFPIL-QGRVMZGNSA-N	300.874	1.929	50	20	DDGD	
C[C@H]1NCC[C@@H]1NS(=O)(=O)c1ccc(CCCl)cc1	1579506422	KUFNZMVGMPRXTJ-MFKMUULPSA-N	302.827	1.497	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCc1ccccc1C(=O)O	1589693597	PQCJOTQIAJIDDX-UHFFFAOYSA-N	307.350	1.304	50	20	DDGD	
NCC1(CCNS(=O)(=O)c2ccc(CCCl)cc2)CC1	1580243372	DGLYURQIZIZFJN-UHFFFAOYSA-N	316.854	1.875	50	20	DDGD	
N[C@@H](CCC(=O)NNC(=O)[C@H]1CCCS1)c1ccccc1	1580126073	DAKBEQKOBVAAPE-QWHCGFSZSA-N	307.419	1.510	50	20	DDGD	
C[C@H](CBr)COC(=O)c1ccc(-c2nn[nH]n2)o1	1589785933	AVLCETDGXGGTLP-ZCFIWIBFSA-N	315.127	1.648	50	20	DDGD	
C/C(=C\c1cccnc1)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1588773430	ZKVZAKNHOUXKMI-PKNBQFBNSA-N	321.344	1.808	50	20	DDGD	
CCCN(CC(=O)O)S(=O)(=O)c1ccc(CCl)cc1	1589670580	HUSUGANMKVVTJP-UHFFFAOYSA-N	305.783	1.911	50	20	DDGD	
CSc1ccc(NCc2cccc(B(O)O)c2)cc1C(=O)O	1599820787	MNYSZAXQWCUSSV-UHFFFAOYSA-N	317.175	1.399	50	20	DDGD	
C[C@H](CN(Cc1ccccc1)S(=O)(=O)CCl)C(=O)O	1592610088	STOJLPAYNXBCQO-SNVBAGLBSA-N	305.783	1.735	50	20	DDGD	
CSSCCNC(=O)NCc1cc(C(=O)O)c(C)n1C	1599803872	DUVKZXSNMJKXSC-UHFFFAOYSA-N	317.436	1.842	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc2cnn(CC(=O)O)c2c1	1596864849	WQCLOSRUEXMBNT-PKNBQFBNSA-N	314.301	1.503	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc(C(=O)O)cc1N(C)C	1591111436	NHOHIVITRILMOL-UHFFFAOYSA-N	322.365	1.650	50	20	DDGD	
NC(=O)c1ccccc1C=NNC(=O)c1ccc(C(=O)O)cc1	1776100517	LWGAOKBLOLOACM-UHFFFAOYSA-N	311.297	1.248	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=Cc2ccn(CC(F)F)n2)c1	1776096744	PVQULNFKZHYSIK-UHFFFAOYSA-N	322.271	1.610	50	20	DDGD	
COc1cccc(C=NNC(=O)c2cccc(C(=O)O)c2)c1O	1776094812	MPEXUFXDRGHVJC-UHFFFAOYSA-N	314.297	1.863	50	20	DDGD	
CC(C)(O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Cl)C2	1795795487	JPEGOBSPSPGOPH-WYFGTUCQSA-N	320.792	1.320	50	20	DDGD	
CSCCNC(=S)NNC(=O)C(C)(C)c1ccccc1	154136634	JJFWRIBGRKZTLR-UHFFFAOYSA-N	311.476	1.823	50	20	DDGD	
COc1ccc(NNC(=O)c2cn(CCC(C)C)nn2)nc1	159475631	BIEBNSCPPXFLSS-UHFFFAOYSA-N	304.354	1.485	50	20	DDGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CCC[C@@H](CO)C1	36900491	YBJODXNFRFUKLA-CYBMUJFWSA-N	317.838	1.861	50	20	DDGD	
C[C@@H](Cl)C(=O)NCc1cccnc1N1CCC[C@H](C(N)=O)C1	1887504135	KESUSXHZULJFGN-PWSUYJOCSA-N	324.812	1.027	50	20	DDGD	
CCO[C@H](C)C(=O)NNc1cc(CC)nc(-c2ccccn2)n1	115156688	RPYQTFZPZOKUBK-LLVKDONJSA-N	315.377	1.969	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CNC(=O)CC(C)(C)C)c(O)c1	54098614	DDQXQXCSXAQTAM-UHFFFAOYSA-N	321.377	1.014	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1cnn2ccncc12	1261089146	FSXIWNGZIQIZBQ-UHFFFAOYSA-N	305.301	1.429	50	20	DDGD	
O=C(CN1CCC[C@@H]1CC1CCCCC1)NNC(=O)C1CC1	112978120	OGCVYFWFHYRVLZ-OAHLLOKOSA-N	307.438	1.979	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1C(=O)NNC(=O)Cc1ccncc1	175794490	SPAZSCDITOSEHA-UHFFFAOYSA-N	315.377	1.116	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1cc(C#N)ccc1C	114673792	PRJBBOZZHCIFRE-UHFFFAOYSA-N	310.379	1.159	50	20	DDGD	
Cn1cc(CNC(=O)NNC(=O)c2cccc3ccccc23)cn1	175822326	JPOJVHCCGBQHHO-UHFFFAOYSA-N	323.356	1.718	50	20	DDGD	
C[C@H](C(=O)NNc1ncnc2nc[nH]c12)c1ccccc1F	173950351	LFABAFSZMYTENS-QMMMGPOBSA-N	300.297	1.739	50	20	DDGD	
COc1ccc(CCCC(=O)NNC(=O)[C@@H]2CCCO2)cc1	61399464	YDHZEXLMQTYPNE-AWEZNQCLSA-N	306.362	1.344	50	20	DDGD	
CC(C)c1cccc(O[C@H](C)C(=O)NNC(=O)CN(C)C)c1	170796952	ZYCXSKIICXYKCP-GFCCVEGCSA-N	307.394	1.286	50	20	DDGD	
CN(NC(=O)c1cc(C2CC2)nc2ccc(F)cc12)C(N)=O	181065808	YZOMGYJBYZHGJC-UHFFFAOYSA-N	302.309	1.907	50	20	DDGD	
O=C(CO)NNC(=O)Nc1cccc(CCC(F)(F)F)c1	186485918	XJLPANDQIGEUJH-UHFFFAOYSA-N	305.256	1.327	50	20	DDGD	
COc1ccnc(NNC(=O)NCCc2c(C)cccc2C)n1	125327506	JDGZETVFBQJUAG-UHFFFAOYSA-N	315.377	1.971	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)OC(C)(C)C)c1nccs1	187013365	VJZLZVMYVJHBKD-QMMMGPOBSA-N	300.384	1.986	50	20	DDGD	
CCN1C[C@@H](C(=O)NNc2nc(-c3ccccc3)no2)CC1=O	76462940	UQQZZMZDHRVZSU-NSHDSACASA-N	315.333	1.048	50	20	DDGD	
COc1ccc(NNC(=O)c2cc3ccccc3[nH]c2=O)nc1	187482043	UODWPEOXKLMFFH-UHFFFAOYSA-N	310.313	1.689	50	20	DDGD	
CC(C)(C)OC(=O)NCCNS(=O)(=O)CCCCCl	153738092	KQCXFBZFSZURLM-UHFFFAOYSA-N	314.835	1.450	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)C2(C#N)CCOCC2)nn1	127708363	OETWDGITAZSPDV-UHFFFAOYSA-N	303.366	1.538	50	20	DDGD	
CCCN(CC(=O)NNC(=O)c1ccc(C)cc1)CC(F)F	72961511	MDTDIPTYJHFUQJ-UHFFFAOYSA-N	313.348	1.733	50	20	DDGD	
CC1(Cn2cc(C(=O)NNc3cccc(F)c3)nn2)COC1	184015001	OZOOBZKQLXBQAU-UHFFFAOYSA-N	305.313	1.211	50	20	DDGD	
Cc1ccc(F)c(NC(=O)NNC(=O)Cc2cccnc2)c1	182848273	DZPXVMPLPDQZLJ-UHFFFAOYSA-N	302.309	1.925	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)/C=C\c2ccco2)cc1	213860056	LXRKWYNRMMPEGB-FPLPWBNLSA-N	311.297	1.391	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H](C)CCCOC	182607274	WXWFETZRMGGQAD-CYBMUJFWSA-N	322.405	1.838	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)c2cccs2)nc2ccccc21	42237032	QYBRFSOULPRHCC-UHFFFAOYSA-N	314.370	1.639	50	20	DDGD	
C[C@@H](CCc1cccc(F)c1)C(=O)NNC(=O)c1cnn(C)c1	80356170	QHURGRGLRHMXMY-NSHDSACASA-N	318.352	1.589	50	20	DDGD	
COCc1ccc(C(=O)NNC(=S)N[C@H](C)C2CC2)cc1	83676484	PTCYNXYHKYIEMF-SNVBAGLBSA-N	307.419	1.740	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)NCCc2cccs2)s1	195356749	JYQYLJKBSPTWQV-UHFFFAOYSA-N	310.404	1.700	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@H]1CC1(C)C	133032882	COSDWFCMBQRENX-LLVKDONJSA-N	314.389	1.792	50	20	DDGD	
CCOC(=O)N1CCC[C@H](C(=O)NNc2cc(C)ccn2)C1	88423793	XYFLMGTYWWMHCB-LBPRGKRZSA-N	306.366	1.702	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)c1cccc(OC(F)F)c1	130720943	TWJWOQFKNYBDHS-UHFFFAOYSA-N	324.287	1.579	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNC(=O)c2cc(C)n[nH]2)cc1	89421653	CBWVSMNYLFCHKK-SNVBAGLBSA-N	316.361	1.367	50	20	DDGD	
C[C@H]1CCCN(CCCCNC(=O)NNc2ncccn2)C1	46752529	SKJLTJSNDDPAED-ZDUSSCGKSA-N	306.414	1.615	50	20	DDGD	
O=C(CCCc1nc2ccccc2[nH]1)NNC(=O)c1ccncc1	192843503	QZXGEKORAMUMOJ-UHFFFAOYSA-N	323.356	1.742	50	20	DDGD	
O=C(NCCOC1CCCC1)NNc1nc2ccccn2n1	191368670	MMXJDGRUTPMNSN-UHFFFAOYSA-N	304.354	1.315	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Cc2sc(S)nc2C)n1	48403995	FULRUJQRSGGHFC-UHFFFAOYSA-N	309.420	1.833	50	20	DDGD	
O=C(Cc1ccc(OC(F)F)cc1)NNC(=O)c1ccc[nH]1	96951295	GGIVAVRDDFGOAD-UHFFFAOYSA-N	309.272	1.620	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNC(=O)c1ccc2ccccc2n1	92197347	DTFZEVGFHXLDJH-UHFFFAOYSA-N	323.356	1.606	50	20	DDGD	
COc1ccnc(NNC(=O)c2ncccc2C(F)(F)F)n1	92278240	GQWCSEDTHJMFBR-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCc2ccco2)c(C(C)(C)C)n1	92813654	HOPASTZFHVNRFH-UHFFFAOYSA-N	319.365	1.455	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NN=c1sc2ccccc2n1C)C(C)C	254900976	HDTDHAILCAMFEC-CYBMUJFWSA-N	320.418	1.332	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=Cc1cccn1C	254748654	DARGVWIJICWPFA-UHFFFAOYSA-N	301.346	1.953	50	20	DDGD	
C[C@@H](NC(=O)NNc1cncc(Cl)n1)c1nnc2n1CCC2	264508403	HCQYTBAINJWRKL-SSDOTTSWSA-N	322.760	1.055	50	20	DDGD	
CCSc1ccc(CC(=O)NNc2nccn(C)c2=O)cc1	269808112	BRRZFTWXFUCWGF-UHFFFAOYSA-N	318.402	1.578	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(OCCOC)cc1	264702249	AGRODFXWASMQDI-UHFFFAOYSA-N	309.391	1.007	50	20	DDGD	
CC(C)S(=O)(=O)c1ccccc1C(=O)NNC(=O)C1CCC1	264761914	MXYSMOLUIKZLLT-UHFFFAOYSA-N	324.402	1.430	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)c2c[nH]c3ccccc23)O1	268276062	ILDAHKDGMATUDM-QMTHXVAHSA-N	301.346	1.887	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2cc3ccccc3o2)CCO1	271218076	FNJCXIPHUZBNJQ-CMPLNLGQSA-N	317.345	1.944	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc(-c2nnc(S)o2)cc1	273651110	WGIMYRRVXYKTKY-UHFFFAOYSA-N	318.358	1.586	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(OC)cc1	276567443	MPUZZSYEODCMIY-UHFFFAOYSA-N	310.350	1.245	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@]2(C)CCCOC2)c(C)c1	272703151	STYXGOXXFCOYEB-KRWDZBQOSA-N	319.405	1.679	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1cc(F)cc(N2CCOCC2)c1	274034821	DSMGUBJEPIBBMA-UHFFFAOYSA-N	322.340	1.225	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H](C(=O)NNC(=O)Cc2cccnc2)C1(C)C	275770694	GXBWUUJABRYNKL-DGCLKSJQSA-N	317.389	1.413	50	20	DDGD	
C[C@H]1C[C@@H](CCNC(=O)NNc2cncc(Cl)n2)CCO1	273542206	TXVRZPYOIFFNNA-UWVGGRQHSA-N	313.789	1.961	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NNc2cncc(Cl)n2)C1(C)C	271941883	WPPGFIIGDHQKPI-WHGOUJPWSA-N	313.789	1.816	50	20	DDGD	
COCc1ncsc1C(=O)NNc1nc(C)cc(OC)n1	283303516	AAUOGBZQQGRDNH-UHFFFAOYSA-N	309.351	1.153	50	20	DDGD	
O=C(CC1CCCCC1)NCC(=O)NNc1ncccc1F	286098987	VJBSLMASZCHMEG-UHFFFAOYSA-N	308.357	1.750	50	20	DDGD	
C=CC[C@@H](CC)NC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	281305610	JNZICZAWAJHAOP-SECBINFHSA-N	322.321	1.599	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@H]2CCOC[C@@H]2C)s1	286972234	RVRLWCUBLPQBEF-GXSJLCMTSA-N	311.407	1.673	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ccc(Cl)c(F)c2)CCC1	281136050	JEMWBNMIRGXFKM-UHFFFAOYSA-N	320.773	1.890	50	20	DDGD	
O=C(NCC(Cl)Cl)c1ccnc(O[C@H]2CCOC2)c1	288697734	BSGQALVERHLYIQ-VIFPVBQESA-N	305.161	1.783	50	20	DDGD	
CCCC[C@@H](COC)NC(=O)NNC(=O)c1cccc(C)n1	280982490	UNQUHMVNAOANIO-LBPRGKRZSA-N	308.382	1.539	50	20	DDGD	
CC(C)(C)S(=O)(=O)CC(=O)NNc1cccc(Cl)n1	293731244	QKFWBURYUBJEAJ-UHFFFAOYSA-N	305.787	1.391	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCCCC2)c1cnc[nH]1	299681092	VMXNBMIJPMIIMV-UHFFFAOYSA-N	304.375	1.815	50	20	DDGD	
CC(=O)c1cccc(OCC(=O)NNc2cccc(F)n2)c1	804765921	BOXRHMUDTSZTLZ-UHFFFAOYSA-N	303.293	1.945	50	20	DDGD	
CC(=O)Nc1ccc(O)c(C(=O)NN(C)C(=O)OC(C)(C)C)c1	297639631	LSPYNUCLYYKFBZ-UHFFFAOYSA-N	323.349	1.862	50	20	DDGD	
O=C(NNc1cccc(F)n1)C(=O)Nc1cccc(Cl)c1	807392873	MQPXCKDJPYNAAJ-UHFFFAOYSA-N	308.700	1.956	50	20	DDGD	
CN(NC(=O)c1cnn(-c2ccncc2)c1)C(=O)OC(C)(C)C	297148697	ICSCFKRMVPXNSX-UHFFFAOYSA-N	317.349	1.779	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNc1ncncc1F	294202125	XUSKOQRBNIXLGU-MRVPVSSYSA-N	306.345	1.288	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)C(C)(C)O)c(OC)c1	295141965	CJMOJPUFRFBKRE-UHFFFAOYSA-N	310.350	1.016	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1cnnc(-c2ccccc2)c1	809972310	SKOGOCJSUYCNMF-UHFFFAOYSA-N	307.313	1.547	50	20	DDGD	
O=C(NNc1ccncn1)c1ccc(OC[C@H]2CCCO2)cc1	295471712	MNOGJGMPKLPLCM-CQSZACIVSA-N	314.345	1.791	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H](C)OCCc2ccccc2)O1	295608457	NQUNFGOMDWOPCF-YDHLFZDLSA-N	320.389	1.349	50	20	DDGD	
CCOC(=O)COCCNC(=O)NNc1c(F)cccc1F	297521271	NQEHPOHKEGTPSW-UHFFFAOYSA-N	317.292	1.171	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](c1ccccc1)n1cccn1	299485486	GXLGOFABNZDMMF-OAHLLOKOSA-N	300.362	1.666	50	20	DDGD	
C#Cc1cncc(C(=O)NNC(=O)CNc2ccc(C)cc2C)c1	806365556	QZEJHAPBJLHCCH-UHFFFAOYSA-N	322.368	1.553	50	20	DDGD	
COc1nccc(NC(=O)NNC(=O)c2ccc(Cl)nc2)n1	801727628	ZYGNBNKMOZPULN-UHFFFAOYSA-N	322.712	1.000	50	20	DDGD	
CCOC1(CNC(=O)NNc2nc3ccccn3n2)CCCC1	297450953	PZPYGTIOUOVKOM-UHFFFAOYSA-N	318.381	1.705	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H](c2ccccc2)OC1=O)C1CCCC1	809603379	DTLYGPQQLNZXLZ-UONOGXRCSA-N	316.357	1.628	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@@H](N2CCCC2)[C@@H]1C	805767822	HKNTXBSXEQDBHH-SOUVJXGZSA-N	324.469	1.127	50	20	DDGD	
CN1CCN(C(=O)NN=C2COc3cccc(Cl)c32)CC1	814913819	WQHLQTAYFCXZOP-UHFFFAOYSA-N	308.769	1.394	50	20	DDGD	
Cc1nn(C)c(N)c1C=NNC(=O)Cc1c[nH]c2ccccc12	814747244	MMBIHDHIZMHKJC-UHFFFAOYSA-N	310.361	1.485	50	20	DDGD	
CC(C)c1cnc(C=NNC(=O)[C@H](C)CN2CCOCC2)s1	814763214	WCTWZXZJVPYSTO-GFCCVEGCSA-N	324.450	1.685	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)CCc1ccon1	816831924	JWVIDZWMLVXEOU-UHFFFAOYSA-N	323.736	1.730	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCOC1)c1cccc(O[C@@H](C)C(=O)O)c1	814914843	PQWAYFZDUNINHA-AAEUAGOBSA-N	320.345	1.415	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cc(O)cc(C(F)(F)F)c1	811647666	VXAQIHIFYZSQNF-UHFFFAOYSA-N	319.239	1.217	50	20	DDGD	
O=C(NNc1ncncc1F)N[C@H]1C[C@H]1c1cccc(F)c1	814290534	JLAIPLVNCLDNSY-JQWIXIFHSA-N	305.288	1.937	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2ccccc2F)cc1F	810389196	BDUFQTZDWHZNHJ-UHFFFAOYSA-N	316.267	1.918	50	20	DDGD	
CN(NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C1CC1	819643158	YQURSKJNTURTPP-UHFFFAOYSA-N	304.350	1.934	50	20	DDGD	
N#Cc1csc(C=NNC(=O)COc2ccccc2O)c1	814953208	LWULSIIZMXCISQ-UHFFFAOYSA-N	301.327	1.854	50	20	DDGD	
CN(C)CC(=O)NN=Cc1cc(Br)ccc1F	727649938	REXYWMBCLXIYPV-UHFFFAOYSA-N	302.147	1.600	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2cccc(F)c2)cc1F	810392244	YOUNVJFUPCJBAP-UHFFFAOYSA-N	316.267	1.918	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)C1(C(=O)C2CC2)CC1	822205332	SAMVKTZWGFQNJO-UHFFFAOYSA-N	320.320	1.111	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@@H]1CCN1C1CCCC1	822384848	VRFWAEGWNDAVHB-LBPRGKRZSA-N	300.366	1.189	50	20	DDGD	
Cn1cc(Cl)c(CNC(=O)NNC(=O)OC(C)(C)C)n1	496485160	DCXAASBTVLCEHN-UHFFFAOYSA-N	303.750	1.312	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(CSc2nc[nH]n2)cc1	495626730	QMCPGZLBNSBVCZ-UHFFFAOYSA-N	321.362	1.440	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)/C=C\[C@H]2CCOC2)cc1C	493675226	QUAIUTXVLAVBBO-SDQPKGBYSA-N	318.373	1.422	50	20	DDGD	
Cn1c(=NNC(=O)[C@H](N)CC(F)F)sc2ccccc21	826618082	FZLBIFHWWYAAFY-SSDOTTSWSA-N	300.334	1.154	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNC(=S)NCC1CCC1)C(C)C	824327085	ADEULCNLPAINJS-NSHDSACASA-N	315.439	1.117	50	20	DDGD	
COc1ccc(NNC(=O)C2(CN(C)C)CC2)c([N+](=O)[O-])c1	821042264	CBUNHHGOHGAVBA-UHFFFAOYSA-N	308.338	1.388	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1ccc(Br)cn1	826819425	CAIXUGKPEYGQLS-HJWRWDBZSA-N	310.151	1.904	50	20	DDGD	
COC(=O)N(C)NC(=O)Cc1ccc(OC)c(OC)c1Cl	495965620	AJHDZNRIJHHZBH-UHFFFAOYSA-N	316.741	1.629	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccc(-c2nccs2)cc1	495449118	UMVAUNCQWLXBEE-UHFFFAOYSA-N	320.330	1.136	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1cccc(C2(C)OCCO2)c1	820327056	DDRBDXVQQNCDEU-WYMLVPIESA-N	316.357	1.966	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NNC(=O)C2CC3(CC3)C2)c1	821797038	NRNCGHMSCUKEJF-UHFFFAOYSA-N	322.386	1.041	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(F)(F)C(=O)O)cc1	490609887	BVWGBTPVYUSZPK-DHZHZOJOSA-N	322.267	1.952	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(C)cc(Cl)n1	909691356	URJXHEDNBCWZQO-QMMMGPOBSA-N	313.741	1.146	50	20	DDGD	
CCC(CC)[C@@H]1C[C@H](NCc2ccc(B(O)O)cc2)CCO1	585034344	OTBSQDQUIFYOTQ-SJORKVTESA-N	305.227	1.440	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)NNc1nccnc1C1CCC1	908195960	CNGPEOBREWZTJK-LLVKDONJSA-N	303.366	1.198	50	20	DDGD	
O=C(Cn1cc(C(=O)O)c2ccccc21)NNc1cccnn1	739359694	NXXOSVBUMMDIFN-UHFFFAOYSA-N	311.301	1.273	50	20	DDGD	
C=CCCOC(=O)/C(C#N)=C/c1cc(-c2nn[nH]n2)n(C)c1C	735413527	WFUPPYHGRUFBFM-KPKJPENVSA-N	312.333	1.540	50	20	DDGD	
CC(C)(C)[C@H](CC(F)(F)F)NC(=O)c1ccc(B(O)O)cc1	584973372	BGSYAOXOZNRJIV-NSHDSACASA-N	317.116	1.463	50	20	DDGD	
CCOC(=O)c1nc(NC(=O)[C@@]2(C)C[C@H]2Br)c[nH]1	907714846	LHIJCUBFMBFGET-KBUNVGBDSA-N	316.155	1.698	50	20	DDGD	
O=C(c1cc(C(F)(F)F)ccc1F)N1CC[C@H](B(O)O)C1	585070252	YATLVDAYMDUIPU-QMMMGPOBSA-N	305.036	1.533	50	20	DDGD	
O=C(NN=Cc1ccc(CO)o1)c1cc(Br)c[nH]1	739413447	QWLVQDNJRSMVCT-UHFFFAOYSA-N	312.123	1.626	50	20	DDGD	
CC(Cc1ccccn1)=NNC(=O)CNC(=O)OC(C)(C)C	496624604	OQTILHBWBAFWNP-UHFFFAOYSA-N	306.366	1.641	50	20	DDGD	
CCc1c(C(=O)N2CC[C@@H](B(O)O)C2)cnn1-c1ccccc1	585071937	DSHZIAFVFJNSPR-GFCCVEGCSA-N	313.166	1.124	50	20	DDGD	
CO[C@@H]1CCC[C@H](c2nc(-c3ccc(B(O)O)cc3)no2)C1	585053142	BTEAOCOOCHMCMS-WCQYABFASA-N	302.139	1.089	50	20	DDGD	
O=S(=O)(c1csc2ccccc12)N1CC[C@H](B(O)O)C1	585055684	CVCSUANBCSQXTB-VIFPVBQESA-N	311.193	1.139	50	20	DDGD	
O=C(c1ccc(C(F)(F)F)c(F)c1)N1CC[C@H](B(O)O)C1	585063963	AJLNQPUVBZTKPD-QMMMGPOBSA-N	305.036	1.533	50	20	DDGD	
Cc1ccc(-c2ccc(C(=O)NCB(O)O)c(F)c2)cc1C	585060812	ZFWSLUHMZFEQES-UHFFFAOYSA-N	301.126	1.851	50	20	DDGD	
C[C@H]1C[C@H]1C(=O)NNC(=O)c1cc(Br)ccc1O	730592456	OWXHIRFMYKHONR-POYBYMJQSA-N	313.151	1.572	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCOc3ccc(F)cc32)cc1	585037223	USOCMGHCRHWIJA-HNNXBMFYSA-N	301.126	1.119	50	20	DDGD	
CCc1noc(C)c1CNC(=O)NNc1ncncc1Cl	836474544	MWKHXZYVYDMFTD-UHFFFAOYSA-N	310.745	1.815	50	20	DDGD	
OB(O)c1ccc(CN[C@@H](c2ccccn2)C2CCC2)c(F)c1	585048656	BOIOXUISCKIHNE-QGZVFWFLSA-N	314.169	1.532	50	20	DDGD	
COC[C@H](C)CNC(=O)NNC(=O)Nc1ccc(OC)cc1	836279121	NHOJTMOYPPBKSV-SNVBAGLBSA-N	310.354	1.313	50	20	DDGD	
O=C(c1cc(C(F)(F)F)ccc1F)N1CC[C@@H](B(O)O)C1	585070251	YATLVDAYMDUIPU-MRVPVSSYSA-N	305.036	1.533	50	20	DDGD	
Cc1nnc(NNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)nc1O	736667666	RJJANDDYFWHYAQ-UHFFFAOYSA-N	324.684	1.204	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1	836774950	WXWBNBRGSUTQGT-LSDHHAIUSA-N	312.373	1.222	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1	837311529	XLSSIVMAMDNUOX-IACUBPJLSA-N	316.357	1.136	50	20	DDGD	
COc1ccc2[nH]cc(C=NNC(=O)C(=O)N3CCCC3)c2c1	730145462	AIUBGJKJRUCUQZ-UHFFFAOYSA-N	314.345	1.249	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cnn(C(C)(C)C)c1	831506021	OGQHBOFEIPDUQT-ONGXEEELSA-N	309.370	1.216	50	20	DDGD	
COCc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	831733939	FPXDRWPYNQQMSG-MFKMUULPSA-N	307.350	1.411	50	20	DDGD	
CCc1ccccc1-n1cc(C(=O)NNC(=O)CC(C)C)nn1	839474552	RCOKPTZCKABBIN-UHFFFAOYSA-N	315.377	1.637	50	20	DDGD	
CC(=O)Nc1ccc(CC(=O)NNC(=O)CC(F)(F)F)cc1	918366354	WUNSXMXZAMCMPV-UHFFFAOYSA-N	317.267	1.287	50	20	DDGD	
CC1=NO[C@@H](C(=O)NNC(=O)NCc2ccc(Cl)cc2)C1	832802594	SCADMDWHWTUUCI-LLVKDONJSA-N	310.741	1.335	50	20	DDGD	
Cc1cc(C)n([C@H](C)CC(=O)NNC(=O)c2ccccn2)n1	916093501	WJVZGVPNFDJLAS-GFCCVEGCSA-N	301.350	1.307	50	20	DDGD	
O=C(NNc1ccncn1)C1(Cc2ccccc2)CCOCC1	834021442	NOWGOTSDRFIKGQ-UHFFFAOYSA-N	312.373	1.959	50	20	DDGD	
CCCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)C1CCCC1	918159336	XVVIQRURNSJYMB-ZDUSSCGKSA-N	309.410	1.505	50	20	DDGD	
C=CCCCCCCNC(=O)NNC(=O)N=c1cc[nH]cc1	836456103	FRDRNKNQBQSYQV-UHFFFAOYSA-N	305.382	1.976	50	20	DDGD	
COC1CCC(NC(=O)NNC(=O)Cc2ccc(F)cc2)CC1	838756923	DXRBRRZNVHIWSD-UHFFFAOYSA-N	323.368	1.656	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1ccc(Cl)cc1)n1ccnc1	917371905	KQHMWYQXZBQFPF-JTQLQIEISA-N	306.753	1.949	50	20	DDGD	
CN1CCC[C@H](NC(=O)NNc2ccc(Cl)c(F)c2)C1=O	748665551	ZGNYYCNVURJOQI-NSHDSACASA-N	314.748	1.726	50	20	DDGD	
COC(=O)[C@@]1(C)CN(C(=O)[C@]2(C)C[C@H]2Br)C[C@@H]1C	913429900	FKLSOCPZIPVUPX-ZFWZSOMGSA-N	318.211	1.818	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C/C=C\c1ccccc1[N+](=O)[O-]	748259239	HIOVAIMNMPQFBL-JJEIBFJRSA-N	321.333	1.762	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(Cl)nc(Cl)c1	843643034	BWJMLPDHAWRMAX-XPUUQOCRSA-N	318.160	1.574	50	20	DDGD	
Cc1nc2ccccc2c(C)c1CC(=O)NN(C)C[C@@H](C)O	910166958	ABVSNKFYLRWKKV-LLVKDONJSA-N	301.390	1.738	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cccc([N+](=O)[O-])c2)cn1	748005812	ALNJLRPEGMNHCD-UHFFFAOYSA-N	316.273	1.533	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNc2ncccn2)nc1C	915192121	HCVXJFGKTRABPL-UHFFFAOYSA-N	301.306	1.114	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCOc2ncccc2F)o1	746800808	NKQPHLCEAJIZSB-UHFFFAOYSA-N	322.296	1.145	50	20	DDGD	
CS[C@H]1CC[C@@H](NC(=O)NNC(=O)c2cccc(C#N)c2)C1	743586960	AMASXKRRZUQNCG-OLZOCXBDSA-N	318.402	1.786	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1cnc2ccc(Cl)cn12	842559034	YYIZPSJADUIPMA-BXKDBHETSA-N	306.753	1.863	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cccnc1Nc1ccccc1F	910175475	PGFNELLWSNGQTL-LLVKDONJSA-N	318.352	1.922	50	20	DDGD	
Cc1ccc2cc(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)ccc2n1	843658644	FIXKVVSIRHGDAU-SMDDNHRTSA-N	313.357	1.729	50	20	DDGD	
CCc1nc(C)c(C(C)=NNC(=O)[C@H](C)OCCOC)s1	748258478	PCAFEOVLZYDDJQ-NSHDSACASA-N	313.423	1.906	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CCCC[C@@H]1CN	841950596	UWWXFCLSLADTTG-TZMCWYRMSA-N	304.394	1.457	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccccc1SCC#N	747599000	JGONVXAFNQWYBM-UHFFFAOYSA-N	314.370	1.716	50	20	DDGD	
O=C(NNC(=O)N[C@H]1CCCNC1)Nc1cc(F)cc(F)c1	841941628	PSWCEYRZAHVVBD-JTQLQIEISA-N	313.308	1.053	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2cc3n(n2)CCCC3=O)c1	912980227	URHWCIQZDIISSR-UHFFFAOYSA-N	318.358	1.304	50	20	DDGD	
O=C1O[C@H]2C[C@H]1N(S(=O)(=O)c1ccc(CCl)cc1)C2	916028163	RHRMMUQJZPNXFO-GXSJLCMTSA-N	301.751	1.114	50	20	DDGD	
O=C(Cc1nc2ncccn2n1)NNc1ccccc1Cl	748318147	JDZXHBBUTSETBC-UHFFFAOYSA-N	302.725	1.464	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@@H](C)CCc1ccc2c(c1)OCO2	746230695	FVDKDRQKXAZZID-NSHDSACASA-N	321.377	1.723	50	20	DDGD	
O=C(NN=C1CCCC[C@H]1N1CCCCC1)c1cnccn1	748781087	SCUVBJHWMXSTAH-OAHLLOKOSA-N	301.394	1.991	50	20	DDGD	
CO[C@](C)(C1CC1)[C@@H](C)NC(=O)NNc1cncc(Cl)n1	840414841	GDRRITVTHSQMFB-OQPBUACISA-N	313.789	1.960	50	20	DDGD	
CCOC(=O)c1cc(/C=C(/C#N)C(=O)C2CCOCC2)[nH]n1	843268793	NKGZCHGDSZUHDL-XFFZJAGNSA-N	303.318	1.489	50	20	DDGD	
Cc1ccc([C@H](C)C(=O)NNC(=O)COc2ccccc2O)o1	742654657	WXXDSDWSXZGKGN-NSHDSACASA-N	318.329	1.624	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1scnc1Br	754103811	HXDASQKPEBGKSC-UHFFFAOYSA-N	318.196	1.857	50	20	DDGD	
CCN1C[C@H](NC(=O)NNc2ccc(Cl)cc2F)CC1=O	922721928	JCXGPUIDKWWGTE-SECBINFHSA-N	314.748	1.726	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)c1	858362990	CZYCFKVQGUKPJM-VXGBXAGGSA-N	323.418	1.958	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1ccnn1CC1CC1	853293175	TXFXBVJIXTZQRU-UHFFFAOYSA-N	312.373	1.995	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1ccc(F)c(F)c1	758382842	ZFQNYPFGLJIQCA-UHFFFAOYSA-N	318.283	1.839	50	20	DDGD	
CC(C)(C)OCCCNC(=O)NNC(=O)[C@H]1CCCCO1	852551789	XLEZNJQCHHOPTD-LLVKDONJSA-N	301.387	1.091	50	20	DDGD	
O=C(NNc1cccc(Cl)c1Cl)C1(n2cnnn2)CC1	854918689	FKLJHIOXSBLQNB-UHFFFAOYSA-N	313.148	1.612	50	20	DDGD	
CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(C)cc1C	920383086	BGTDSYHVFGIVJC-ZDUSSCGKSA-N	323.418	1.514	50	20	DDGD	
COCCCC(C)=NNC(=O)c1nnc(O)c2ccccc12	759185263	MTBZEKARXHWGDA-UHFFFAOYSA-N	302.334	1.868	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccc(C(N)=O)cc2C)o1	752860047	CLRYPCYXWVMUDP-UHFFFAOYSA-N	316.317	1.462	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cccc(CN(C)C)c1)C1CC1	855100596	FRTRJJYYTTXKQT-LLVKDONJSA-N	320.462	1.656	50	20	DDGD	
C#CCOCCC(=O)NNC(=S)Nc1ccc(OCC)cc1	756750581	GLMRVZYPGKKNTJ-UHFFFAOYSA-N	321.402	1.443	50	20	DDGD	
Cc1ccncc1C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855831234	KOTSMNRMPQNRHV-UHFFFAOYSA-N	320.393	1.094	50	20	DDGD	
C[C@H](NC(=O)C1CCCC1)C(=O)NNc1ccc(Cl)cn1	856095226	HZEHFSGSGDJHNW-VIFPVBQESA-N	310.785	1.873	50	20	DDGD	
C=C[C@@](C)(O)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	854239461	AHZMGIHNGRKBAF-RFAUZJTJSA-N	308.403	1.571	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1cccnc1Cl	855006688	QBBXJASWFLWNPF-KOLCDFICSA-N	311.769	1.240	50	20	DDGD	
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NNC(=O)C2CCC2)C1	750297639	TUGAWPRWBMXUBG-OABGYEMISA-N	315.439	1.197	50	20	DDGD	
C=CCCn1cc(C(=O)NC[C@]2(C)C[C@@H]2Br)nn1	857386350	UBHMSEPJSBKVTQ-JQWIXIFHSA-N	313.199	1.758	50	20	DDGD	
O=C(Cc1cnn2ccccc12)NNC(=O)OCC(F)(F)F	856026174	PCMOZOZFRQDZGY-UHFFFAOYSA-N	316.239	1.197	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)NC1CCCC1)c1ccc(F)cc1	930966699	WZGCZQJHRQHDCA-HNNXBMFYSA-N	309.341	1.306	50	20	DDGD	
COCCCNC(=O)NN=Cc1cc(F)c(N(C)C)cc1F	863084936	RPCDRXHAAIZXNO-UHFFFAOYSA-N	314.336	1.700	50	20	DDGD	
CC(C)N1CCC(CCNC(=O)NNC(=O)C2CCC2)CC1	868943288	CTBVNOSYQKYGJG-UHFFFAOYSA-N	310.442	1.627	50	20	DDGD	
Cc1cc(NNC(=O)C(C)(C)C(N)=O)ccc1Br	768091444	XJICARNBICNLQL-UHFFFAOYSA-N	314.183	1.712	50	20	DDGD	
COCCC(=O)COC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	761941665	LWWODMOPZPYLRN-MLPAPPSSSA-N	315.329	1.261	50	20	DDGD	
CC1(C)CC(=NNC(=O)[C@H]2CCC(=O)N2)c2ccc(F)cc2O1	863149157	SRNSJJNMTHERKS-LLVKDONJSA-N	319.336	1.486	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNCC(F)(F)C(F)(F)F)[nH]1	863100086	SGRKJLARVZQWMO-UHFFFAOYSA-N	315.198	1.233	50	20	DDGD	
COC(=O)CC1(NS(=O)(=O)CC(C)(C)CCl)CCC1	866927716	FIFFTUBLKGBUMX-UHFFFAOYSA-N	311.831	1.657	50	20	DDGD	
O=C1NCC[C@@]1(C(=O)NNc1ccnc(Cl)c1)C1CCCC1	862177757	YOFQDSFECWIIIZ-OAHLLOKOSA-N	322.796	1.875	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc2cnccc2[nH]1	935197666	FYGLGCJAUBFWEI-UHFFFAOYSA-N	309.420	1.035	50	20	DDGD	
CN(C)C(=O)NNC(=O)CCc1ccccc1C(F)(F)F	865046860	CLAQXPYJTIUJAW-UHFFFAOYSA-N	303.284	1.940	50	20	DDGD	
Cc1cc(=NNC(=O)c2cnc(C3OCCO3)s2)cc[nH]1	862514268	WEJZNYBEAUMEBI-UHFFFAOYSA-N	306.347	1.071	50	20	DDGD	
C[C@@H](NS(=O)(=O)CC(C)(C)CCl)c1nnc2n1CCC2	866750829	RJMYBOOFYNKWOJ-SECBINFHSA-N	320.846	1.470	50	20	DDGD	
CCCOc1ccc(C(C)=NNC(=O)CS(C)(=O)=O)cc1	863188260	AASUDTMTLQSJPD-UHFFFAOYSA-N	312.391	1.360	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCC1CCN(CC#N)CC1	866959393	DIIPKNMODZXQDF-UHFFFAOYSA-N	321.874	1.406	50	20	DDGD	
CC(C)(C)C1CCC(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1	862457474	KHHQFGABQGCCBS-BPCQOVAHSA-N	323.437	1.655	50	20	DDGD	
COc1cccc(NNC(=O)[C@@]2(C)COc3ccccc3O2)n1	860677341	PFLVDNQDYQIHQJ-MRXNPFEDSA-N	315.329	1.763	50	20	DDGD	
CC(C)CN1C(=O)C(=NNC(=O)c2cn[nH]c2)c2ccccc21	863156181	OYLQCIDHBXQHDK-UHFFFAOYSA-N	311.345	1.546	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(OC)cc1C	764085367	PVGOQIGGCFROGH-SECBINFHSA-N	307.350	1.136	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc2c1CCCC2)[C@H]1CCC(=O)N1	860322838	OIZMRWPJAWLXSZ-BXUZGUMPSA-N	301.390	1.923	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)OCC(=O)N1CCCC1	766751325	LCJPWKJEEJUOIL-SNVBAGLBSA-N	306.200	1.962	50	20	DDGD	
Cc1csc(CCC(=O)NNC(=S)N[C@@H](C)C2CC2)n1	768232972	OTKWRGQMLSOZSL-VIFPVBQESA-N	312.464	1.678	50	20	DDGD	
CSCc1ccccc1NC(=O)C(=O)NNc1cnccn1	766260198	LLBHXVFLZIUFNF-UHFFFAOYSA-N	317.374	1.421	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NNC(=S)Nc1ccccn1	874956283	RXHUQSMENLKMGR-NXEZZACHSA-N	306.391	1.405	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@](C)(O)C(C)C	873769840	ZOERHMXCYGUSOJ-AWEZNQCLSA-N	311.407	1.420	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCc2nc(O)n[nH]2)cc1	774901479	LTGRIIVSXIRMLX-YRNVUSSQSA-N	314.301	1.559	50	20	DDGD	
N[C@H]1C[C@H](CNC(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)C1	877243439	MABNKYXBUKMRCO-HKLXJQGRSA-N	301.228	1.794	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc2cc[nH]c2n1	779514137	KJCTTWGFQHDWOD-UHFFFAOYSA-N	310.313	1.646	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)[C@@H]2CCC=CO2)cc1	874953261	ZSNXNMGOFFEPRN-ZDUSSCGKSA-N	320.418	1.763	50	20	DDGD	
N#Cc1cccc(NNC(=O)C(=O)Nc2cnc(C3CC3)nc2)c1	773683171	RMPQHBVEPILRFM-UHFFFAOYSA-N	322.328	1.307	50	20	DDGD	
COCc1csc(CNC(=O)NN=c2cc[nH]c(C)c2)c1	875737128	BWKMSEXCJGQNGZ-UHFFFAOYSA-N	306.391	1.846	50	20	DDGD	
CC[C@@H](C(=O)NNC(=S)Nc1ccccc1OC)N(C)C	873770074	YMKINIUNCONZLB-NSHDSACASA-N	310.423	1.353	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cccc(-c2cccnc2)c1	779824106	YKUHMOYKVBDYID-UHFFFAOYSA-N	312.329	1.555	50	20	DDGD	
CN(CCCCNC(=O)NNc1ccc(C#N)cn1)C1CC1	889214126	JDACIPVEGLNIKU-UHFFFAOYSA-N	302.382	1.454	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cccc(C)c1OC(F)F	779817435	RFTLNGKHPLAXKP-UHFFFAOYSA-N	315.276	1.403	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1nc2ccccc2s1	779818615	UMEHVFSAOZYIQI-UHFFFAOYSA-N	306.347	1.493	50	20	DDGD	
CCC(=NNC(=O)C(=O)NC1CC1)c1cc(C)ccc1OC	771552032	ZFSMEUQNKHEPMG-UHFFFAOYSA-N	303.362	1.513	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)c2c(Cl)cccc2Cl)n1	786086790	AVEPSKWUNVFFEY-UHFFFAOYSA-N	314.132	1.197	50	20	DDGD	
O=C(Cc1coc2ccccc12)NNC(=O)C1CCOCC1	883070559	VCXIQVMNBWNKQR-UHFFFAOYSA-N	302.330	1.549	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C1CCOCC1)c1ccc2c(c1)OCO2	883070046	DNYXZMBSWBFVBK-SNVBAGLBSA-N	320.345	1.093	50	20	DDGD	
CCn1nc(NC(=O)C(=O)NNc2ccccc2)cc1C1CC1	784767245	MEWYRCKMCMDUDA-UHFFFAOYSA-N	313.361	1.862	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2cc(F)ccc21)C1CCOCC1	883072350	JBZIICUBOAPDBA-AWEZNQCLSA-N	306.337	1.430	50	20	DDGD	
O=C(NN=Cc1cc2c(cc1OC(F)F)OCO2)C(F)F	782234306	SMFQMDKSHJPOCY-UHFFFAOYSA-N	308.187	1.732	50	20	DDGD	
CCCCN(C)C[C@H](C)NC(=O)NNc1ccc(C#N)cn1	889053731	VIDQSHPDAGPCFA-LBPRGKRZSA-N	304.398	1.700	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H]1COCCN1S(=O)(=O)CCCCl	882030890	YNZAGHRXIJMFSS-NSHDSACASA-N	321.830	1.359	50	20	DDGD	
CC(C)n1cc(C(=O)NNc2nc(-c3cccnc3)no2)cn1	786933138	DDNLFWIZRHZWHT-UHFFFAOYSA-N	313.321	1.666	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@@H](c1ccccc1)c1ncc[nH]1	887149318	REGPNGAPQSFHOG-HNNXBMFYSA-N	324.384	1.883	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N=c2cc[nH]cc2C)c1	780638316	YOCWGPDRFZKNKD-UHFFFAOYSA-N	300.318	1.747	50	20	DDGD	
CCC(CC)(NC(=O)[C@@H](Br)C(C)(C)C)C(N)=O	781084213	LZASQAWTFKOIHA-MRVPVSSYSA-N	307.232	1.956	50	20	DDGD	
C/C=C(/CC)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	789229319	USAAHDSKRATXPW-QCDXTXTGSA-N	304.346	1.656	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C\c1cn(-c2ccccc2)nn1	786041024	UFXUFOYMJAHSCR-ZROIWOOFSA-N	302.359	1.957	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1cc2ccccc2[nH]1	788421064	OYEHZIWOIDDLCO-CYBMUJFWSA-N	314.389	1.586	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2nccn3ccnc23)c1	780796279	QQYWPTDXDVQZQH-UHFFFAOYSA-N	311.301	1.273	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNc2ncncc2Cl)cn1C	782055444	KPQUMQSOAJWQGZ-UHFFFAOYSA-N	324.728	1.404	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)CCCCCl)C[C@H](C(F)(F)F)O1	780804542	MURWZIKSGJNHPX-DTWKUNHWSA-N	323.764	1.987	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2cccc(OCC(=O)O)c2)n1	794567689	WSROKZYDZXEPGI-UHFFFAOYSA-N	313.313	1.617	50	20	DDGD	
CC[C@H]1CCC[C@H]1NCC(=O)NNC(=O)Cc1ccccc1C	794575990	QHMAJISRXSIXQA-GOEBONIOSA-N	317.433	1.853	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=Cc2cn(C(C)(C)C)nn2)c1	790148754	KFTGWWOWMNHZMG-UHFFFAOYSA-N	314.393	1.863	50	20	DDGD	
COc1ccc2[nH]cc(C=NNC(=O)N3CCN(C)CC3)c2c1	790175367	YGFQFFJVLWQAKH-UHFFFAOYSA-N	315.377	1.467	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNc1nc2ccccn2n1	791253765	WUUVDGUITQKDGL-UHFFFAOYSA-N	312.333	1.588	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2CC(C)(C)C2)cc1	794618223	CFEFPXPOTUPNAL-UHFFFAOYSA-N	303.362	1.517	50	20	DDGD	
CCOc1cccc([N+](=O)[O-])c1C(=O)NNc1ncccn1	798279943	WBMCZAJDQQMJKE-UHFFFAOYSA-N	303.278	1.540	50	20	DDGD	
CCOC1(C(=O)NNC(=O)NC2CCCCC2)CCOCC1	794798384	DKJNNHFNSGDTCQ-UHFFFAOYSA-N	313.398	1.235	50	20	DDGD	
CC(C)(C)c1ccc(NC(=O)NNC(=O)c2ccc[nH]2)nn1	1325360219	PXOBWCSQWBKYLW-UHFFFAOYSA-N	302.338	1.569	50	20	DDGD	
Nc1cnnc(NNC(=O)NCCC[C@H]2CCOC2)c1Cl	1324597373	CYORLKJHVSBKMQ-QMMMGPOBSA-N	314.777	1.155	50	20	DDGD	
CN[C@@H](C)CCNC(=O)NNC(=O)COc1ccc(C)c(C)c1	1326133248	OSIIFVHUKISCPA-ZDUSSCGKSA-N	322.409	1.011	50	20	DDGD	
C=CCC(F)(F)C(=O)NNC(=O)c1cncn1-c1ccccc1	1324201036	AMAPLBRXAVXAJB-UHFFFAOYSA-N	320.299	1.845	50	20	DDGD	
COc1ccc(C(=O)NNS(=O)(=O)c2ccc(C)nc2)cc1	1322049449	QONKPWGXZZRWSM-UHFFFAOYSA-N	321.358	1.022	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1nncc(N)c1Cl)c1cccnc1	1321603068	HCCDAMWRNDVADA-LLVKDONJSA-N	320.784	1.990	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CNC(=O)CC(C)(C)C)cc1	1337740944	JXWYCCBSEBPHRO-UHFFFAOYSA-N	321.377	1.009	50	20	DDGD	
CCC[C@@H](CNC(=O)NNC(=O)c1ccc(OC)cc1)OC	1330855188	WTVYFZRAXKOQHW-ZDUSSCGKSA-N	309.366	1.454	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)[C@H]2CC(c3cnn(C)c3)=NO2)c1	1337197957	NOERSWWPJGSCEZ-CQSZACIVSA-N	317.324	1.504	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)NOC/C=C\Cl	1343636418	WKZOICPJMKSDHJ-UTCJRWHESA-N	304.133	1.968	50	20	DDGD	
O=C1CCC(=O)N1c1ccc(OS(=O)(=O)CCl)cc1	1348177334	AGHMZNPSGXDZSV-UHFFFAOYSA-N	303.723	1.245	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)NCCC(F)(F)F)cc1	1608781049	MQCCVPWVRVKWDA-UHFFFAOYSA-N	305.256	1.892	50	20	DDGD	
CCOCc1nc(Cl)cc(NNC(=O)CCCC(=O)O)n1	1603843639	WTQKNXZITLPRRL-UHFFFAOYSA-N	316.745	1.365	50	20	DDGD	
Cc1cc(C(=O)O)ccc1NC(=O)NNc1nnc(C)n1C	1600122319	DBEVWJZVNMUFKR-UHFFFAOYSA-N	304.310	1.279	50	20	DDGD	
CCc1ccc(O)c(C(=O)NNc2ncccc2C(=O)O)c1	1603975632	YUJREWFGMVDWMR-UHFFFAOYSA-N	301.302	1.805	50	20	DDGD	
O=C(Cc1ccc(O)cc1)NNc1cccc(F)c1C(=O)O	1608363689	WSATZDNSEMLKBP-UHFFFAOYSA-N	304.277	1.915	50	20	DDGD	
Cc1cc(C(=O)NNc2cccc(C(=O)O)c2F)c(C)nn1	1600095295	OTWBTYFCNFIXEC-UHFFFAOYSA-N	304.281	1.688	50	20	DDGD	
Cc1ccc(NNC(=O)c2cnc3nccnc3c2)cc1C(=O)O	1600461361	GRMDRNQJQPOXQN-UHFFFAOYSA-N	323.312	1.788	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2csc(CO)n2)c(F)c1	1602384061	CWLKJIDZNRYQBI-UHFFFAOYSA-N	311.294	1.230	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CSCCS2)cc1F	1602384142	BVGMNNFPHRQXHQ-JTQLQIEISA-N	316.379	1.816	50	20	DDGD	
CCCCCNC(=O)/C(C#N)=C\c1c(C(=O)O)nn(C)c1C	1609967024	WQJSYCSRRRDHEA-FLIBITNWSA-N	304.350	1.640	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCc2ccc(CC(=O)O)cc2)cn1	1600945998	KBWLLGQOXGXSPB-UUASQNMZSA-N	324.340	1.271	50	20	DDGD	
O=C(C[C@H]1CSCCS1)NNc1ccc(C(=O)O)cn1	1601257504	WRJXTCVJMOLHRB-VIFPVBQESA-N	313.404	1.462	50	20	DDGD	
O=C(O)C(=O)NN=Cc1ccc(Br)c2cccnc12	1601635913	PSOGZQMHNYKHOE-UHFFFAOYSA-N	322.118	1.532	50	20	DDGD	
Cn1ccc(CCC(=O)NNc2cccc(C(=O)O)c2F)n1	1608125269	YKMMHKPEHQUZPC-UHFFFAOYSA-N	306.297	1.333	50	20	DDGD	
O=C(NNc1cccc(F)c1C(=O)O)c1ncc(Cl)cn1	1608483433	YOHSYNYJYRTPEU-UHFFFAOYSA-N	310.672	1.724	50	20	DDGD	
CCc1nnc(NC(=O)NNc2ccc(CC(=O)O)cc2)s1	1610075001	YNVHVOYZIYUGPY-UHFFFAOYSA-N	321.362	1.876	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1cc(C)c(C)o1	1549319053	FZJULBSDXWLNLB-ZFWWWQNUSA-N	305.378	1.600	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1ccnc(F)c1	1610287241	FMNCDWYFRUJTSU-UHFFFAOYSA-N	305.265	1.684	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@@H](c2ccnc(NC(=O)NN)n2)C1	1575182992	GNLVWLYMWISSOB-SECBINFHSA-N	322.369	1.196	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H](CN)c2ccc(F)cc2)c1	1579832324	COOYQEWHRFLSKW-LBPRGKRZSA-N	321.377	1.699	50	20	DDGD	
CNCC(=O)NNC(=O)c1sc2cc(F)ccc2c1Cl	1578616455	PRYWEKPVLSICCV-UHFFFAOYSA-N	315.757	1.674	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)c1)N[C@H]1C[C@@H](C(=O)O)C1	1574579092	UJYHEXHRXIKFMW-WAAGHKOSSA-N	311.725	1.147	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)CCC(C)=O)C1	1842654954	BBFVFFLHAPKJNO-GFCCVEGCSA-N	314.813	1.576	50	20	DDGD	
CC[C@H](C)[C@H](O)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843362199	HERGPMRJRQIZMD-DCAQKATOSA-N	320.792	1.131	50	20	DDGD	
COc1cccc(NNC(=O)Cc2cccc(C(=O)O)c2)n1	1599680045	USULENGURLIGIN-UHFFFAOYSA-N	301.302	1.474	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(C(=O)O)cc1N(C)C	1594866439	MEVASTKRFHYDDL-SECBINFHSA-N	322.365	1.650	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1cc(CCC(=O)O)ccc1O	1596864197	QOCJHZSLAJRENT-LUAWRHEFSA-N	304.302	1.792	50	20	DDGD	
CCc1ncncc1C(=O)NNc1ccc(C(=O)O)cc1OC	1597709274	LFSPJKYEAMQGTG-UHFFFAOYSA-N	316.317	1.503	50	20	DDGD	
COc1ccccc1C(=O)NN=Cc1cc(C)c(C(=O)O)[nH]1	1599696882	LBRIVIFGRCZJIA-UHFFFAOYSA-N	301.302	1.794	50	20	DDGD	
CCOCc1nc(C)cc(NNC(=O)C2(C(=O)O)CC=CC2)n1	1591986507	DTSXSJOLVLQZHE-UHFFFAOYSA-N	320.349	1.186	50	20	DDGD	
Cn1nc(C(=O)O)cc1C=NNC(=O)Cc1ccc(Cl)cc1	1776024117	AEPISEZUSOVSLP-UHFFFAOYSA-N	320.736	1.465	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)O)CCC1=NNC(=O)[C@H]1CCN1C(C)(C)C	1776098258	DNOBPCDNCNLLOL-NQBHXWOUSA-N	309.410	1.852	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2ccc(C(=O)O)nc2)CC1	1776024296	LECQIWJHLKSAIK-UHFFFAOYSA-N	318.377	1.352	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CC(=O)NNc1ncnc2nc[nH]c12	151875669	PZOPMAFXLVVMFJ-SSDOTTSWSA-N	315.337	1.595	50	20	DDGD	
CCCC(=O)N1CSC[C@@H]1C(=O)NNc1ccccc1F	153127368	LOOKSGQEVPGVCR-GFCCVEGCSA-N	311.382	1.970	50	20	DDGD	
NNC(=O)c1cc(Cc2nnc(O)c3ccccc23)ccc1F	514269803	OTOFWLSKHNJQSL-UHFFFAOYSA-N	312.304	1.669	50	20	DDGD	
C[C@@H](CBr)CN1CCC(N2CCOC2=O)CC1	852721188	HUCFMERWOFIFQF-JTQLQIEISA-N	305.216	1.934	50	20	DDGD	
CNC(=O)N1CCN(C[C@@H](CBr)C2CC2)CC1	721652206	FTDLWTXGPPHSPX-LLVKDONJSA-N	304.232	1.365	50	20	DDGD	
COc1cc(/C=C(\C#N)S(C)(=O)=O)c([N+](=O)[O-])cc1OC	7714153	DEUOILHHSYDNJL-RUDMXATFSA-N	312.303	1.521	50	20	DDGD	
O=C(C[C@H]1C=CCC1)NNC(=O)c1ccc2c(c1)OCCO2	53625960	QESYCVSFBBESDO-NSHDSACASA-N	302.330	1.575	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)c2cc(Cl)c[nH]2)cc1	26693776	LCVFIGLCTMDGOC-UHFFFAOYSA-N	318.720	1.380	50	20	DDGD	
CCSCc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1	106417326	GAWYAWKMXHAPOP-UHFFFAOYSA-N	318.402	1.667	50	20	DDGD	
Cc1noc(Cl)c1CCC(=O)NNC(=O)Cc1cccnc1	103456629	OSUHYODUZCDZOK-UHFFFAOYSA-N	322.752	1.354	50	20	DDGD	
O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)C1CCC1	103524066	HVHSIOGOWSBJCX-UHFFFAOYSA-N	304.318	1.926	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)n2nnc(-c3ccccc3)n2)ncn1	173608021	CGKJDKGZBCQKSN-NSHDSACASA-N	324.348	1.143	50	20	DDGD	
C[C@@H]1CC[C@H](CCC(=O)NNC(=O)Cc2ccccc2F)O1	173197801	UCAGOIXXBDQNDK-DGCLKSJQSA-N	308.353	1.863	50	20	DDGD	
CC[C@@H]1CCCCN1CCNC(=O)NNC(=O)c1ccccc1	113406708	RGELOHSBXBKUQD-OAHLLOKOSA-N	318.421	1.895	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)CCc2ccoc2)cn1	176046721	YYMNUKCLMQPMQM-UHFFFAOYSA-N	320.374	1.634	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H](C)OCC1CC1	68349861	YSSRIZIMOJFDIN-GFCCVEGCSA-N	320.389	1.590	50	20	DDGD	
COC1(C(=O)NNC(=O)c2ccc(C#N)cc2)CCCCC1	184306811	STBXCMBQOJSGPM-UHFFFAOYSA-N	301.346	1.669	50	20	DDGD	
Cn1cnc(-c2ccc(C(=O)NNc3ccnc(F)c3)cc2)n1	182422158	CYNCIZHVLBNHAF-UHFFFAOYSA-N	312.308	1.773	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)Nc2ccccn2)n1	122028306	YQXWDVLCCFIMLC-UHFFFAOYSA-N	301.354	1.866	50	20	DDGD	
COc1ccc2nc(NNC(=O)[C@H]3CCC(=O)N3)c(C)cc2c1	183163664	PIADKKIADHZPTQ-CYBMUJFWSA-N	314.345	1.274	50	20	DDGD	
Cc1noc(C)c1CCC(=O)NNc1cc(Cl)nc(N)n1	182792976	XFJCVXARVARQQY-UHFFFAOYSA-N	310.745	1.393	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(C#N)c(Cl)c1	126917738	MAEZWBOFLUKMGV-UHFFFAOYSA-N	303.709	1.318	50	20	DDGD	
C[C@H]1CCC[C@H]1CC(=O)NNC(=O)COc1ccc(C#N)cc1	184605729	ZJNRFFHXSYMZBI-JSGCOSHPSA-N	315.373	1.911	50	20	DDGD	
Cc1ccccc1OCCNC(=O)NNC(=O)c1ccc[nH]1	128020542	QHKVGBNTULJNLE-UHFFFAOYSA-N	302.334	1.346	50	20	DDGD	
COc1ccc(NNC(=O)Nc2cccc(N(C)C)n2)nc1	122412038	XXODOEXGQNKJCR-UHFFFAOYSA-N	302.338	1.700	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Nc1ncnn1C)c1ccccc1	183335862	QCLOCASODSAYIZ-NSHDSACASA-N	302.338	1.162	50	20	DDGD	
COc1cccc(C(=O)c2ccc(C(=O)NNC(C)=O)cc2)c1	186989577	AREJJUPKTMRDQM-UHFFFAOYSA-N	312.325	1.707	50	20	DDGD	
CN(CCNC(=O)NNC(=O)c1ccccc1)c1ccccc1	45304295	ARRUDUKYAKNQIQ-UHFFFAOYSA-N	312.373	1.767	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCCC2)C(=O)N1CCCC1	132268134	LVFKYAGUMNDHLR-UHFFFAOYSA-N	321.402	1.010	50	20	DDGD	
O=C(C[C@@H]1COC(=O)C1)NNc1ccc(OC(F)(F)F)cc1	132833793	ZXXBHBABKOGLIS-QMMMGPOBSA-N	318.251	1.982	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)[C@@H](C)C1CC1	130900407	AOGLNPXWAOCZGF-JTQLQIEISA-N	308.403	1.981	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cccnc2)ccc1[N+](=O)[O-]	193516041	BBOJRVQEWIVIJG-UHFFFAOYSA-N	315.289	1.765	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CSCc1cccc(Cl)c1	192928224	CHZBRHIRLBBOCA-UHFFFAOYSA-N	316.810	1.492	50	20	DDGD	
CSC1(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)CC1	190003142	YRPFSRQCWKMDMZ-UHFFFAOYSA-N	316.386	1.733	50	20	DDGD	
O=C(NN=Cc1cc([N+](=O)[O-])ccc1O)c1ccc(O)c(O)c1	254294418	NSIHMTUHUCNWSO-UHFFFAOYSA-N	317.257	1.476	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cc(F)cc2nc(S)[nH]c12	264798708	TVXFXEFGNJSRNM-UHFFFAOYSA-N	308.338	1.552	50	20	DDGD	
O=C(NNC(=O)c1ccc(F)cc1[N+](=O)[O-])NC1CCCC1	268166806	RIJVMPNSIZYDMS-UHFFFAOYSA-N	310.285	1.621	50	20	DDGD	
C#CCN(CC(=O)NNC(=O)c1ccccc1Cl)C1CC1	274174064	OCZIXIXDKWCZKX-UHFFFAOYSA-N	305.765	1.199	50	20	DDGD	
CC(C)OCCCC(=O)NNC(=O)COc1ccccc1O	273151553	XPIMJZBHLNHLPF-UHFFFAOYSA-N	310.350	1.124	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccco1)C12CC3CC(CC(C3)C1)C2	275772899	WFKNYCFETMMVRD-UHFFFAOYSA-N	324.402	1.806	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H]2CCCc3nn(C)cc32)n1	366965267	CGNDECOCFLJMJN-NSHDSACASA-N	300.366	1.390	50	20	DDGD	
C[C@@H]1CC[C@H](CCC(=O)NNc2ccc(-n3ccnc3)nn2)O1	278528329	CXEPGTMTJCQKNZ-VXGBXAGGSA-N	316.365	1.453	50	20	DDGD	
CCCCn1cc(C(=O)NNC(=O)c2ccccn2)c(C)n1	274461830	KQAFBQCJXWJJRB-UHFFFAOYSA-N	301.350	1.461	50	20	DDGD	
Cc1c([C@H]2OCC[C@@H]2C(=O)NNc2ccccc2)cnn1C	275595256	JXXYGZLILIIJFU-ZFWWWQNUSA-N	300.362	1.949	50	20	DDGD	
Cc1ccc([C@H](O)CNS(=O)(=O)CBr)cc1	272778411	GXEIKCFDVRJJSV-SNVBAGLBSA-N	308.197	1.300	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cn(C(C)C)cn2)c(O)c1	282090808	VFVWDKVUGRBXAV-UHFFFAOYSA-N	302.334	1.553	50	20	DDGD	
C[C@@H]1COCC[C@H]1CNC(=O)NNC(=O)Cc1ccccc1F	287040954	SXRXDPOEAWRUEE-YPMHNXCESA-N	323.368	1.371	50	20	DDGD	
CN(NC(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1)C(N)=O	283604382	YOCHVBQIGKFFFL-CYBMUJFWSA-N	310.741	1.265	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)CC1	281392006	DLTZPGLMCGXZEA-LLVKDONJSA-N	324.352	1.557	50	20	DDGD	
CCc1occc1C(=O)NNC(=O)COCc1ccccc1	281612203	KUASBSAPWNOZLH-UHFFFAOYSA-N	302.330	1.820	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCCNC(=O)C(C)C	283023033	OIQVDLPXJQKDCI-UHFFFAOYSA-N	306.410	1.956	50	20	DDGD	
COCCN(C)NC(=O)c1c(C)nn(-c2ccccc2)c1C	288513338	VIPJZLOSBRJFOM-UHFFFAOYSA-N	302.378	1.712	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C[C@H]2C(=O)Nc3ccccc32)n1	373657016	VUCKFJHVPYIHQJ-GFCCVEGCSA-N	324.340	1.277	50	20	DDGD	
CC(C)(Cc1nc2ccccc2[nH]1)C(=O)NNC(=O)NC1CC1	281584185	LHAWNFOCGPYUMC-UHFFFAOYSA-N	315.377	1.624	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1ccc(OC(C)C)cc1	289060669	YTQOXXYWEOQUDE-UHFFFAOYSA-N	302.352	1.365	50	20	DDGD	
CSC1(CNC(=O)NNc2ncccc2F)CCOCC1	288728169	OZZRPGJFYZIJHV-UHFFFAOYSA-N	314.386	1.759	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Nc1cccc(C)c1	283995837	NACVTLXQXSUTIK-UHFFFAOYSA-N	309.366	1.937	50	20	DDGD	
CCSCCCNC(=O)NNC(=O)c1ccccc1OC	281733649	AVWJPFNCLMCSAK-UHFFFAOYSA-N	311.407	1.782	50	20	DDGD	
CC[C@@H](C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)c1ccccc1	298064560	AXHSUOGKSQBWDG-LSDHHAIUSA-N	324.446	1.673	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1nc(C2CC2)cs1	296458569	VCKHTCGGWYMIIQ-SNVBAGLBSA-N	310.379	1.742	50	20	DDGD	
Cn1cc(-c2ccc(C=NNC(=O)c3cnccn3)s2)cn1	800810267	NOMNWAUOURECJD-UHFFFAOYSA-N	312.358	1.703	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1cnn(CCF)c1	806725305	LLDDTUFAEPFNOX-UHFFFAOYSA-N	304.325	1.246	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CCN1CCCC1=O	805374063	GLTBCSJQSUEIRI-UHFFFAOYSA-N	306.322	1.359	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)c1c[nH]nc1[N+](=O)[O-]	801633551	ABXKKDCETWDQQV-UHFFFAOYSA-N	305.279	1.080	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H]2C[C@@]23CCc2ccccc23)O1	294209865	LPHKQVPWXILXMO-FGVQXAILSA-N	314.385	1.605	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@H](C)C(C)(F)F)nc1C	293333677	AWKUHAIOJJIRAJ-ZETCQYMHSA-N	316.308	1.696	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	297214583	XBWPASTWFHPNDJ-ZJUUUORDSA-N	302.296	1.817	50	20	DDGD	
O=C(CN1CCC[C@@H]2CCC[C@H]21)NNC(=O)c1ccc(F)cc1	299357768	RCWPTSMXHVDCCL-SWLSCSKDSA-N	319.380	1.851	50	20	DDGD	
CC(=NNC(=O)COCc1ccccc1)c1cn(C)c(C)n1	800812560	HMFDHPLEIMJSIC-UHFFFAOYSA-N	300.362	1.786	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@H]1C(=O)NNc1ccc2c(=O)[nH]ccc2c1	803436245	XIEMIDRTQUYXAJ-QMTHXVAHSA-N	313.357	1.977	50	20	DDGD	
CN(NC(=O)c1ccc(CNC(N)=O)cc1)C(=O)OC(C)(C)C	297600415	JCDSBGFQHGMBLH-UHFFFAOYSA-N	322.365	1.367	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNc1cccc(NC(C)=O)c1	293812421	CFIZOOQMFWWITN-HNNXBMFYSA-N	304.394	1.963	50	20	DDGD	
CCn1cc([C@H](C)NC(=O)NNc2nc3ccccn3n2)cn1	297317942	AYVLRNDIYGSZQT-JTQLQIEISA-N	314.353	1.333	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCSC1)c1ccc2c(c1)OCO2	809949928	HMZSRVIDTNXUDL-JTQLQIEISA-N	308.359	1.320	50	20	DDGD	
O=C(/C=C/c1ccccc1[N+](=O)[O-])NNC(=O)[C@H]1CCCCO1	295753409	PBTXTMISEIDNLO-MMQHEFTJSA-N	319.317	1.325	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cn(C)nc2C2CC2)c1	291657385	KJLQAPMNYFALCS-UHFFFAOYSA-N	314.345	1.841	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Cc1cncn1C)c1ccccc1	806833873	OBLJNNRCTCQFSW-AWEZNQCLSA-N	300.362	1.304	50	20	DDGD	
CC(C)(C)OC(=O)CCCNC(=O)NNc1ncncc1F	814308753	SBMGGWSNQALVAO-UHFFFAOYSA-N	313.333	1.364	50	20	DDGD	
COc1ccc2nc(C3CC3)cc(C(=O)NNc3nc[nH]n3)c2c1	816634327	FDCMSCMBROEBLI-UHFFFAOYSA-N	324.344	1.996	50	20	DDGD	
C[C@@H]1COCCN1CCNC(=O)NNc1cccc(Cl)n1	814310905	ZSDJATQCEUJNEI-SNVBAGLBSA-N	313.789	1.082	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1ccccc1CC(=O)OC	819657269	BAHRPJMXNIIDML-KAMYIIQDSA-N	302.330	1.462	50	20	DDGD	
C=CCC(F)(F)C(=O)NNC(=O)c1ccc(OC)c(OC)c1	814715348	RMQQIQLHZNXRGO-UHFFFAOYSA-N	314.288	1.676	50	20	DDGD	
Cc1nc(CC(=O)NN=C2CC[C@H](C(=O)O)C[C@H]2C)cs1	814740412	TVKQJXGBXWNFEO-SCZZXKLOSA-N	309.391	1.987	50	20	DDGD	
CN(C)CC(=O)NNC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F	819875896	NNWLPZOPZRKLJA-ZIUMLUTBSA-N	321.343	1.310	50	20	DDGD	
CO[C@H]1CCC[C@@H](C(=O)NNC(=S)NCCSC)C1	814413900	VPYDVUIONIVZRK-ZJUUUORDSA-N	305.469	1.050	50	20	DDGD	
Cn1ccc(CCC(=O)NNc2ccc(C(F)(F)F)cn2)n1	816172277	HOKIEALODCKKAW-UHFFFAOYSA-N	313.283	1.910	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1cc(O)ccc1Cl	810425026	XEQUMMJTWDEEQQ-UHFFFAOYSA-N	304.697	1.469	50	20	DDGD	
CN(NC(=O)c1ccc(C(=O)NN(C)C2CC2)s1)C1CC1	819653446	PDPQJMIEPHYNQZ-UHFFFAOYSA-N	308.407	1.226	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@H]2CCN(C)C2)c1C	729283011	KMDJKAKOGSLEFA-KBPBESRZSA-N	319.405	1.170	50	20	DDGD	
C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NNC(=O)CC1CC1	819105124	YFAQCZCARCQYDN-NSHDSACASA-N	302.374	1.890	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)[C@@H](F)C(F)(F)F	811455478	ILGHSRJZRASMIU-MRVPVSSYSA-N	304.207	1.006	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CC[C@H](C(=O)O)C[C@@H]1C	814854065	CGGGELQSOREZOU-UWVGGRQHSA-N	311.382	1.284	50	20	DDGD	
Cc1cc(F)c2c(c1)C(=NNC(=O)Cc1cccnc1)C(=O)N2	728786667	RYAFCKABJWPZKH-UHFFFAOYSA-N	312.304	1.544	50	20	DDGD	
CN(C)c1cccnc1CNC(=O)NNc1ccc(Cl)nn1	811934247	ZMMXOLMVMRQALD-UHFFFAOYSA-N	321.772	1.417	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CC[C@@H](OC(C)C)C2)n1	826670626	UFCXTIYFSOFDHH-GFCCVEGCSA-N	306.366	1.244	50	20	DDGD	
Cc1noc([C@H](C)NC(=O)NNc2cccc([N+](=O)[O-])c2)n1	726279358	NNCVNCIVBPDERF-ZETCQYMHSA-N	306.282	1.674	50	20	DDGD	
COC(=O)N1CCC(=NNC(=O)c2ccnc(N(C)C)c2)CC1	491312064	LAMXBOCSNNYRRJ-UHFFFAOYSA-N	319.365	1.096	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NNC(=O)NCc1ccc(Cl)cc1	490689735	BLANNYFDDFULEZ-LUAWRHEFSA-N	322.752	1.614	50	20	DDGD	
C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NN(C)[C@@H](C)CO	823934114	CEQFIBOTSRTERV-UWVGGRQHSA-N	320.311	1.817	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCc2c(F)ccc(F)c2C1	828020107	DTGWCBLRBILYMP-UHFFFAOYSA-N	311.332	1.126	50	20	DDGD	
CN(NC(=O)Nc1ccccc1SCCC(N)=O)C1CC1	824166110	FQLMYCAFGXBYMW-UHFFFAOYSA-N	308.407	1.785	50	20	DDGD	
C=CCOCCCC(=O)NNc1cccc(-c2nn[nH]n2)c1	823926052	XKJQTSHWHVKTLD-UHFFFAOYSA-N	302.338	1.293	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](O)c1cccc(C(F)(F)F)c1	496436463	QCSKHCZSZVXLRN-SECBINFHSA-N	306.240	1.468	50	20	DDGD	
CCCN(NC(=O)[C@@H](C)CC(=O)OC)C(=O)OC(C)(C)C	495695687	NQLVRLKCCUFJBQ-JTQLQIEISA-N	302.371	1.864	50	20	DDGD	
COc1ccccc1OCCCNC(=O)NNC(=O)C(C)(C)C	729232050	DGGVCGIYECHCOA-UHFFFAOYSA-N	323.393	1.841	50	20	DDGD	
C[C@]1(C(=O)NC[C@@H](O)COCC2CC2)C[C@@H]1Br	907007828	GHNSMNVGQBYJRN-SCVCMEIPSA-N	306.200	1.064	50	20	DDGD	
C[C@@]1(C(=O)N2CCC(OCCO)CC2)C[C@H]1Br	907139370	OMRGMGZBMPSVTR-ZYHUDNBSSA-N	306.200	1.160	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)CC(=O)O)c1C	738068321	XPRHGSRWJFYHJW-ZSOIEALJSA-N	319.361	1.201	50	20	DDGD	
Cn1cc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)cc1C(N)=O	490845944	UHTZAWHTNPCTLU-IZZDOVSWSA-N	312.304	1.809	50	20	DDGD	
CC(=O)Nc1ccsc1C=NNC(=O)Cc1cc(C)[nH]n1	735406459	CWXBWMQIEPPZOK-UHFFFAOYSA-N	305.363	1.431	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCOC1CCCC1	825821063	FQKXWPHTVBGSPK-YPMHNXCESA-N	313.398	1.091	50	20	DDGD	
O=C(N[C@@H]1CCCCC12CCCC2)c1cccc(B(O)O)c1	584992077	LJUVRWUWMLWIGA-OAHLLOKOSA-N	301.195	1.599	50	20	DDGD	
Cc1ccccc1-n1ncc(C(=O)NN(C)[C@@H](C)CO)c1C	823976432	CQVDQHNCKVVSAS-LBPRGKRZSA-N	302.378	1.447	50	20	DDGD	
CCCN(CCC)CCCC(=O)NNc1cc(C)nc(N)n1	828367523	RHKHUJOJGZQAKN-UHFFFAOYSA-N	308.430	1.713	50	20	DDGD	
CN(C)CC(=O)NNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1	825709218	QZZGUPSQUNINML-HUUCEWRRSA-N	303.406	1.669	50	20	DDGD	
Cc1cc(C[C@H](C)NC(=O)[C@]2(C)C[C@H]2Br)n[nH]1	907058665	ZCTKXIAXBBQQBT-HNBZJPLGSA-N	300.200	1.939	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC(N2CCOC[C@@H]2C)CC1	820124645	DHBGMROHHYRRDC-BSHRGCEOSA-N	307.394	1.142	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(NC(=O)OCC)cc1	496076545	OETCJMUDZFCQMB-UHFFFAOYSA-N	308.338	1.609	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCCC[C@H]1COC(=O)N(C)CC	490941358	KUXFQAWHPVANCS-CMPYXILNSA-N	323.393	1.900	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N(C)Cc2ncc[nH]2)cc(C#N)n1C	490944064	VEIFYFMUTZXCSF-AWNIVKPZSA-N	308.345	1.494	50	20	DDGD	
CCCNC(=O)CCCC(=O)NN=c1cc[nH]c2ccccc12	730287835	UODQEBKFOWMOCQ-UHFFFAOYSA-N	314.389	1.796	50	20	DDGD	
CSCC1(Cc2nc(-c3ccc(B(O)O)cc3)no2)CC1	585052312	YNWNLRLVSRCWPX-UHFFFAOYSA-N	304.180	1.102	50	20	DDGD	
CC[C@@H]1[C@H](C(=O)NN(C)C(N)=O)CCN1C(=O)OC(C)(C)C	497250159	BPYJSVQFZPGVMZ-NXEZZACHSA-N	314.386	1.064	50	20	DDGD	
O=C(NNc1cccc(F)c1F)N[C@H]1C[C@@H]2CCCCN2C1=O	838740345	CCZOFEWYUCFJAW-CABZTGNLSA-N	324.331	1.744	50	20	DDGD	
Cc1cc(CNS(=O)(=O)CCl)cc(N2CCCC2)n1	831593629	MWJAVFKQELBTQS-UHFFFAOYSA-N	303.815	1.606	50	20	DDGD	
N#CC[C@@H](CC(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccc1	833236320	QQYPVBTYROWUBW-GJZGRUSLSA-N	315.373	1.790	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)N[C@H]2CC=CCC2)c1	737063075	BNCPFLGNFRRDAJ-LBPRGKRZSA-N	319.361	1.757	50	20	DDGD	
Cc1ccc(C#N)cc1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	831382645	QDSKUWUBEGREDA-JQWIXIFHSA-N	302.334	1.444	50	20	DDGD	
OB(O)c1ccccc1CNC[C@@H]1SCCc2ccccc21	585027089	WDBVQFIHEIWHSV-KRWDZBQOSA-N	313.231	1.487	50	20	DDGD	
CCc1ccc(C(C)(C)C(=O)Nc2cccc(B(O)O)c2)cc1	584911928	IYJZAUXDEQPEDU-UHFFFAOYSA-N	311.190	1.845	50	20	DDGD	
C[C@]1(C(=O)NCC(=O)Nc2ccccc2)C[C@H]1Br	906332950	IGKUEVXFQNRZKL-MFKMUULPSA-N	311.179	1.915	50	20	DDGD	
C[C@H](C(=O)NCC(Cl)Cl)N1C(=O)NC2(CCCC2)C1=O	837648345	DQQNSWHEKJCRFG-SSDOTTSWSA-N	322.192	1.159	50	20	DDGD	
O=C1CC[C@@H]2[C@H]1[C@H]2C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	905108858	XNVCOSZYHBICIR-KHRDTGBESA-N	316.401	1.575	50	20	DDGD	
O=C(NN=C1CCCS(=O)(=O)C1)c1cccc2ncccc12	731927791	UEBLSJUYQOLGAI-UHFFFAOYSA-N	317.370	1.529	50	20	DDGD	
O=C(CCNC(=O)NNc1ccc(F)cn1)NC1CCCCC1	731360237	XTELFVHDHURETQ-UHFFFAOYSA-N	323.372	1.686	50	20	DDGD	
C[C@]1(C(=O)NCc2nnc(C3CC3)o2)C[C@H]1Br	907516502	URDUURRYXBWXBY-HQJQHLMTSA-N	300.156	1.737	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cccc(Br)c1O	732293061	WXJXYOHFWWTZCX-UHFFFAOYSA-N	313.151	1.716	50	20	DDGD	
COc1cc(F)cc(C[C@H](C)NCc2cccc(B(O)O)c2)c1	585044291	DVZFLKISODALEF-LBPRGKRZSA-N	317.169	1.235	50	20	DDGD	
COc1ccc([C@@H](CN(C)C)NS(=O)(=O)CCl)cc1	831425725	LWYATRYQLXNFTE-GFCCVEGCSA-N	306.815	1.414	50	20	DDGD	
CC(=O)c1ccc(OCCCC(=O)N2CC[C@H](B(O)O)C2)cc1	585076866	ZXCJKVXSBMADSW-AWEZNQCLSA-N	319.166	1.124	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1cnc(CC(F)(F)F)s1	901247704	KZLXYKYLTPGYMX-UHFFFAOYSA-N	317.296	1.664	50	20	DDGD	
O=C(NC[C@@H]1CC1(Cl)Cl)NNC(=O)[C@@H]1CCCCO1	836234610	MBSYTRWLQRZCOQ-YUMQZZPRSA-N	310.181	1.080	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2scnc2C(C)C)n[nH]1	836742114	DGZIMMJHSPDCEV-UHFFFAOYSA-N	308.367	1.765	50	20	DDGD	
Cc1ccc(C2(C(=O)NN(C)C[C@@H](C)O)CCOCC2)cc1	910167097	HQCWOFFTRGMXGD-CQSZACIVSA-N	306.406	1.387	50	20	DDGD	
COCCC1(CNC(=O)NNC(=O)[C@@H]2CCCCO2)CCC1	836360887	DVXXAOUAZXIVNZ-LBPRGKRZSA-N	313.398	1.093	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C	735762971	UADQDJWFEVBZIQ-YPMHNXCESA-N	315.414	1.195	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)COc2ccccc2C#N)c2nccn21	834927564	NFBVXWAXHRQHJX-LLVKDONJSA-N	309.329	1.619	50	20	DDGD	
CCc1ccc2c(c1)C(=NNC(=O)[C@@H]1CCCCO1)C(=O)N2	834989074	PMBKXUJHVBIYJH-ZDUSSCGKSA-N	301.346	1.591	50	20	DDGD	
CN(CCc1nc(-c2ccccc2)no1)S(=O)(=O)CCl	831501150	JHTQKMBOWKQTPT-UHFFFAOYSA-N	315.782	1.737	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1ccc(C(N)=O)cc1	915952883	MYRRZHAYUMLHBP-CYBMUJFWSA-N	316.405	1.358	50	20	DDGD	
COc1cc(F)cc(NNC(=O)Cc2nnn(C(C)(C)C)n2)c1	830846424	DARCFPGPDJLCDG-UHFFFAOYSA-N	322.344	1.262	50	20	DDGD	
O=C1CCc2cc(C(=O)NNC(=O)NC3CCCC3)ccc2N1	744059470	KVWHPZKXPWETMJ-UHFFFAOYSA-N	316.361	1.458	50	20	DDGD	
Cc1ccc(SCC(=O)NN=C2CCNC(=O)CC2)cc1	834928964	FVRUZRROAJQZMN-UHFFFAOYSA-N	305.403	1.859	50	20	DDGD	
Cc1ccc([C@@H](C)C(=O)NNC(=O)c2ccc3c(c2)OCO3)o1	742471778	IAHQIVSYVGVRFY-SNVBAGLBSA-N	316.313	1.881	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1C[C@H](C)Sc2sccc21	743432166	DWKVWUQEPNXDDH-QMMMGPOBSA-N	311.432	1.977	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1ccc(-n2ccnc2)nc1	916236351	GULUPYDGQRLALE-UHFFFAOYSA-N	316.365	1.144	50	20	DDGD	
C[C@@H]1CCCCN1[C@H](C)CNC(=O)NNC(=O)CC(F)(F)F	918064193	BTKFOVZYQWSDGV-NXEZZACHSA-N	324.347	1.532	50	20	DDGD	
CC(C)=CCC[C@H](C)CC(=O)NNC(=O)C(=O)N1CCCC1	843780610	NKBWUGQFHKWJRC-ZDUSSCGKSA-N	309.410	1.529	50	20	DDGD	
CO[C@@H](C=NNC(=O)NCCc1cccs1)[C@@H]1CCOC1	841621606	KHANMQJEZAITDX-YPMHNXCESA-N	311.407	1.627	50	20	DDGD	
COC(C)(C)CNC(=O)NNC(=O)COc1ccc(C)c(C)c1	745890096	OZSSEJWZBJOXDO-UHFFFAOYSA-N	323.393	1.438	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCC2)c1cc2ccccc2o1	749477954	ZZFXOFSBSXDBHO-UHFFFAOYSA-N	310.313	1.719	50	20	DDGD	
CNC(=O)NNC(=S)NCc1ccc(Br)cc1	747652611	WAAPICOOXFOWLN-UHFFFAOYSA-N	317.212	1.257	50	20	DDGD	
C[C@H](CCN)NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	841968239	UZKQOSUVHDZLGE-GYPVXTSCSA-N	308.426	1.271	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCc1nnn(C(C)(C)C)n1	847420293	KRIKKWQKODILDR-UHFFFAOYSA-N	321.360	1.702	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)[C@H]1CCCS(=O)(=O)C1	845953866	PGRIGHMOMUDKFB-JTQLQIEISA-N	300.355	1.402	50	20	DDGD	
CC[C@@H](C)Oc1ccc(C(=O)NNC(=O)c2ncccn2)cc1	841350555	MTSGMOOEEXNFKF-LLVKDONJSA-N	314.345	1.729	50	20	DDGD	
O=C(NCC#Cc1ccccc1)NNc1ccc(Cl)nn1	916246270	OXJIYHMEDRYMSX-UHFFFAOYSA-N	301.737	1.808	50	20	DDGD	
CCCn1c(C=NNC(=O)C(=O)NC2CC2)nc2ccccc21	917541814	QYMHBQHGHCTBOQ-UHFFFAOYSA-N	313.361	1.175	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1c[nH]c2ccc([N+](=O)[O-])cc12	747755182	MSCDVVOJDKEAMU-UHFFFAOYSA-N	317.305	1.051	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNC(=O)CC(F)(F)F	743317863	PMIRXLLANNUJTH-SSDOTTSWSA-N	320.315	1.315	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(C)(C)Cc1ccccc1	843651982	QIVINLDOJWSVOO-GXTWGEPZSA-N	304.390	1.828	50	20	DDGD	
CO[C@@]1(C=NNC(=O)COc2cc(C)cc(C)c2)CCOC1	841606531	HIHJFKJVSOYHRP-MRXNPFEDSA-N	306.362	1.590	50	20	DDGD	
CC(=NNC(=O)N(C)C)c1ccc(S(C)(=O)=O)c(F)c1	741762053	JQHUJXMLMLWEGY-UHFFFAOYSA-N	301.343	1.224	50	20	DDGD	
Cc1ccc(C)c(C2=NO[C@H](C(=O)NN(C)[C@@H](C)CO)C2)c1	911445147	NFQLLVPAVOAKDW-WFASDCNBSA-N	305.378	1.140	50	20	DDGD	
NC(=O)COc1ccccc1C(=O)NNc1cccc(F)c1	748088937	IEMKBHOGMYXHMW-UHFFFAOYSA-N	303.293	1.447	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2COCc3ccccc32)n1	842189663	HLJRNRAYGRECBY-AWEZNQCLSA-N	313.361	1.991	50	20	DDGD	
C[C@H]1CC[C@@H](CC(=O)NNc2ccccc2S(N)(=O)=O)C1	842261842	OQINRQBNQUHYTI-WDEREUQCSA-N	311.407	1.603	50	20	DDGD	
Cc1ccccc1C(=O)NNS(=O)(=O)c1cncc(F)c1	749153508	CXWOAENGSAMRKQ-UHFFFAOYSA-N	309.322	1.152	50	20	DDGD	
CCN1C[C@@H](CNC(=O)/C(C#N)=C\c2ccc(O)cc2)CC1=O	846462897	JHEPABXJLFQWDL-CRMJKIRDSA-N	313.357	1.284	50	20	DDGD	
C=CCOCCCC(=O)NNc1ncc(Br)cn1	848321445	SQXQDTPGOJMHAM-UHFFFAOYSA-N	315.171	1.665	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)Cc2ccc(F)cc2)CCN1C	745855192	SIYRNPBAFFXBRP-RISCZKNCSA-N	322.384	1.181	50	20	DDGD	
CC(C)C1(C(=O)NNC(=O)COc2ccc(F)cc2)COC1	929291895	WJAVHHBLINHYBT-UHFFFAOYSA-N	310.325	1.025	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)CC1C2CC3CC(C2)CC1C3	845446781	DDWMKOGZPIWYGK-UHFFFAOYSA-N	316.405	1.562	50	20	DDGD	
C[C@@H](Oc1cccc(C=NNC(=O)CC(F)(F)F)c1)C(=O)O	746679488	IAIDXEHCRAWAAH-MRVPVSSYSA-N	318.251	1.941	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cccc(OC)c1OC	740762646	AFAWOKORFLXTOC-UHFFFAOYSA-N	321.377	1.459	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@H]1CCCN(CC(C)C)C1	746329295	ZOUBFSDZFOQWBJ-AWEZNQCLSA-N	312.458	1.731	50	20	DDGD	
C[C@H](NC(=O)NC[C@]1(C)C[C@H]1Br)[C@H]1CCCNC1	857103820	FOEBPFBTBDYLGA-KQXIARHKSA-N	318.259	1.847	50	20	DDGD	
CCN(CC)CCC(=O)NN=C(C)c1cc([N+](=O)[O-])ccc1O	758094156	BXWRGBIVLJPSQC-UHFFFAOYSA-N	322.365	1.873	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cn1c(CC)nc2ccccc21	757766770	PWHHOUHIZQZKNW-UHFFFAOYSA-N	312.373	1.550	50	20	DDGD	
CC(=O)N1CCC(=NNC(=O)c2c[nH]nc2C)c2ccccc21	857207237	BKQHQSLFXABRMM-UHFFFAOYSA-N	311.345	1.609	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1	756334304	FKUOPODVDJENDF-UHFFFAOYSA-N	302.674	1.047	50	20	DDGD	
C[C@@]1(CNC(=O)N[C@@H]2CCC[C@@H]2CO)C[C@H]1Br	856958518	MMKSPVVNZSQUHG-BFLSOPEQSA-N	305.216	1.620	50	20	DDGD	
CC(C)(O)[C@H](Oc1ccccc1)C(=O)NCCCSC#N	854360054	GCFZNLQTPJDYKT-CYBMUJFWSA-N	308.403	1.925	50	20	DDGD	
CCn1ncc(Cl)c1C(=O)NNC(=O)NC1CCCCC1	857706953	XKEKGEDCLZRZQN-UHFFFAOYSA-N	313.789	1.833	50	20	DDGD	
CNC(=O)CCCC(=O)NNC(=S)Nc1cccc(C)c1C	854185957	BVPHVWGTBROXGI-UHFFFAOYSA-N	322.434	1.537	50	20	DDGD	
CC(=NNC(=O)COc1ccc(Cl)cc1)c1cnn(C)c1	920824957	CWXKLAIJLXHUIU-UHFFFAOYSA-N	306.753	1.993	50	20	DDGD	
CC[C@@H](NC(=O)NNc1ccccc1S(C)(=O)=O)C1CC1	852596068	XHRGWBCRFDAJQN-LLVKDONJSA-N	311.407	1.905	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(OC)c(OCCOC)c1	755696093	JCSOGKOGSDIADB-UHFFFAOYSA-N	311.338	1.283	50	20	DDGD	
C[C@@]1(CNC(=O)c2cnn3c2OCCC3)C[C@H]1Br	857389130	YRYNUPKPZJEXFK-SKDRFNHKSA-N	314.183	1.569	50	20	DDGD	
O=C(CCCOCCc1ccccc1)NNC(=O)c1cc[nH]n1	855358986	ASWXOWDCWKGJMZ-UHFFFAOYSA-N	316.361	1.210	50	20	DDGD	
COC[C@@](C)(O)C(=O)NNC(=O)c1c(Cl)cccc1Cl	754994960	BFZSGVPYFQMBCO-GFCCVEGCSA-N	321.160	1.152	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C[C@@H]1CCC(=O)N1	854943783	VCLVAIXMBXVMQH-QMMMGPOBSA-N	311.773	1.365	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)Nc1cccnc1	853846118	FJSMBDKCWLUQEZ-UHFFFAOYSA-N	321.381	1.177	50	20	DDGD	
CO[C@H]1CC(=NNC(=O)CCCNC(=O)C(C)(C)C)C12CCC2	853408324	QEJBTYIXSVKKIA-ZDUSSCGKSA-N	323.437	1.990	50	20	DDGD	
COc1ccc(OC)c(NC(=O)NNC(=O)CC(F)(F)F)c1	755390105	UMADRWSNNZTYRR-UHFFFAOYSA-N	321.255	1.809	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1ccc2c(c1)OCCO2)C1CC1	852598628	XUXLKJCMEMJHAU-GFCCVEGCSA-N	319.361	1.590	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)NCC1(CC(C)C)CC1	757251421	FLFABTHSBUGQIY-LBPRGKRZSA-N	315.414	1.195	50	20	DDGD	
C[C@H](c1ccccc1)[C@@H](O)CNC(=O)/C(C#N)=C/c1cnn(C)c1	856292041	HVNZCAHRHDCIHC-LGWJHXDISA-N	324.384	1.608	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C1C[C@@H](C)N(C2CC2)C1	753955111	KSJMKEKPVQQKLR-GFCCVEGCSA-N	316.405	1.836	50	20	DDGD	
CN(C)CCCCC(=O)NNc1ccc(C(F)(F)F)nn1	755189500	LXTDERPQXMMUFS-UHFFFAOYSA-N	305.304	1.670	50	20	DDGD	
C[C@@H](C[S@@](C)=O)NC(=O)NNc1ccc(Cl)cc1F	921925050	OWEUOFXHLVFLMZ-ZDVLTJLQSA-N	307.778	1.872	50	20	DDGD	
C[C@@H]1CC(F)(F)CCN1C(=O)NNC(=O)Cc1cccnc1	858190480	JCAXIKLOYIHSSJ-SNVBAGLBSA-N	312.320	1.485	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)C[C@@H]1Br	857399032	QBDGXIGEIMSERM-DFAYQTQMSA-N	315.211	1.287	50	20	DDGD	
COC[C@](C)(O)C(=O)NNc1nc2ccc(Cl)cc2s1	856234198	PHEFYTFIINXLOJ-LBPRGKRZSA-N	315.782	1.790	50	20	DDGD	
CN(NC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1	920860338	SOEUZKCZRDNEIG-UHFFFAOYSA-N	308.341	1.715	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H](C)Cc2ccc(F)cc2)nc1O	921074242	NHZCCBZNMNTSCX-QMMMGPOBSA-N	305.313	1.347	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H](OC)c1cccc(OC)c1	854186290	WUDKEKVJNHODMS-GFCCVEGCSA-N	309.391	1.064	50	20	DDGD	
Cc1cc(=O)cc(C)n1CCCC(=O)NCCCSC#N	854360523	PWWZJLZLPBTQEY-UHFFFAOYSA-N	307.419	1.966	50	20	DDGD	
Cn1nncc1NNC(=O)CC1(NC(=O)OC(C)(C)C)CCC1	857271462	NFCRYWVDKMQZIW-UHFFFAOYSA-N	324.385	1.096	50	20	DDGD	
COC(=O)c1cnc(NC[C@]2(C)C[C@H]2Br)nc1	856786586	HKTPPLXFEBWPBI-KCJUWKMLSA-N	300.156	1.849	50	20	DDGD	
CCOc1nc(C(=O)NN=c2sc3ccccc3n2C)co1	753788632	CKPXHFHRJFLJKX-UHFFFAOYSA-N	318.358	1.872	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc(F)c(C#N)c1)C1CC1	855097756	XPYQHMJSTBYJOJ-MRVPVSSYSA-N	306.366	1.605	50	20	DDGD	
CCc1nc(C=NNC(=O)Cc2ccncc2)c2ccccn12	755755468	MFSYYRPSLAHXHN-UHFFFAOYSA-N	307.357	1.985	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1	854409896	OOKBJPNAYLREDT-GFCCVEGCSA-N	323.368	1.178	50	20	DDGD	
C[C@]1(CNC(=O)NCCC2CCNCC2)C[C@@H]1Br	857106776	ZRROEVOBZSBNHS-WCQYABFASA-N	318.259	1.849	50	20	DDGD	
O=C(Cc1cccc(F)c1F)NNc1ncccc1[N+](=O)[O-]	759291050	JRPKUMPRSVFGKF-UHFFFAOYSA-N	308.244	1.954	50	20	DDGD	
C[C@H](C(=O)NNc1cnnn1C)[C@@H]1OCCc2sccc21	857270491	DXDITRLEERVSQU-UFBFGSQYSA-N	307.379	1.270	50	20	DDGD	
C[C@H]1C(=NNC(=O)Cc2ccccc2O)CC[C@@H]1CC(=O)O	853400833	PFSHTFXMSUPEJU-GHMZBOCLSA-N	304.346	1.928	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC2=CCCC2)c(OC)c1	852070904	XIFZMCPOFYIUSQ-UHFFFAOYSA-N	319.361	1.758	50	20	DDGD	
O=C(NN=C[C@H]1CCc2ccccc21)N[C@@H]1CCS(=O)(=O)C1	755664727	PXDFTTPYNIOTSD-CHWSQXEVSA-N	321.402	1.189	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNC(=O)[C@@H](CC)c1ccccc1	932501102	UKWYBOVEIMMYMF-BFHYXJOUSA-N	318.373	1.527	50	20	DDGD	
COC[C@@H]1CCCN1NC(=O)[C@@H](Br)C(C)(C)C	862594898	NJGHHJOOOOBNPZ-VHSXEESVSA-N	307.232	1.938	50	20	DDGD	
CC(C)[C@H]1C[C@@H](C(=O)NNC(=O)c2ccc(C#N)cc2)CCO1	931161750	DTWOLYJQFUYKBM-LSDHHAIUSA-N	315.373	1.770	50	20	DDGD	
CCCCOc1ccc(C(C)=NNC(=O)[C@H]2CCC(=O)N2)cc1	863150942	ATKFTCGUGDZKIZ-OAHLLOKOSA-N	317.389	1.984	50	20	DDGD	
C[C@@H](NNC(=O)c1cnc(C2CCCC2)nc1N)C(F)(F)F	862319422	DOGPUQXMXDQYAC-SSDOTTSWSA-N	317.315	1.902	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@H](CO)CC(F)(F)F	867018208	WQGNGCDRTBASMS-ZETCQYMHSA-N	311.753	1.484	50	20	DDGD	
O=C(NNC(=O)c1ccc(OC(F)F)cc1F)NC1CC1	930719992	KFEOOLHYOXHLRP-UHFFFAOYSA-N	303.240	1.534	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)c(N)n1	769468875	FCHCQWXKWVSXNE-UHFFFAOYSA-N	319.752	1.024	50	20	DDGD	
C[C@H](C#N)C(=O)NNc1c(F)cc(C(=O)NC2CC2)cc1F	764329604	ZBOCXIAOCITXSL-SSDOTTSWSA-N	308.288	1.460	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@@H]1C[C@]12CCOC2	763724026	VEDFYBGOCINIBW-GUYCJALGSA-N	313.357	1.284	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@H](CO)C1CCOCC1	768427052	GYNIMKMGIQQZEZ-MNOVXSKESA-N	322.243	1.700	50	20	DDGD	
Cn1cc([N+](=O)[O-])cc1C(=O)NNC(=O)Cc1ccccc1F	762819528	VTOXRAONOWRJLN-UHFFFAOYSA-N	320.280	1.076	50	20	DDGD	
CC1(CC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)CC1	760794692	ZGAHACBYSQNYHB-UHFFFAOYSA-N	314.345	1.529	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)C2(O)CCSCC2)o1	764935804	VEEZHQPZYCAXIR-UHFFFAOYSA-N	310.379	1.371	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCSC1)c1cnn(-c2ccccc2)c1	762176992	CEVTZEHIGKRTSI-NSHDSACASA-N	316.386	1.386	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccnc(OCC(F)(F)F)n1	879848584	WIWDCXJKOJHHOA-UHFFFAOYSA-N	323.275	1.032	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H](C)C[C@H]2CCOC2)cc1	1116268275	NVAKYXHRVSHMQA-NWDGAFQWSA-N	321.377	1.454	50	20	DDGD	
CCCN(C)CC(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874951129	KIGOCJKAYPGZLL-UHFFFAOYSA-N	323.466	1.412	50	20	DDGD	
O=C(CCN1CCOCC1)NNc1ncc(Cl)cc1Cl	775272029	XDYNVKIYNDNSPT-UHFFFAOYSA-N	319.192	1.554	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21	779908069	YZTZDOSZLFISOQ-FVQBIDKESA-N	302.374	1.582	50	20	DDGD	
Nc1cnnc(NNC(=O)NC[C@@H]2CCCS2)c1Cl	1116296646	XJBPEPWDYGGDOQ-LURJTMIESA-N	302.791	1.234	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(c2ccccc2)CCC1	771911190	JUOXNUPZOHCLEH-LBPRGKRZSA-N	318.373	1.597	50	20	DDGD	
O=C(NNc1ccc(F)cn1)c1coc(C2CCOCC2)n1	874649549	RRGYBPCXJOPXRA-UHFFFAOYSA-N	306.297	1.860	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H](C)NC(=O)CC(C)(C)C	772890295	ISQSVTNXDXHFBQ-LLVKDONJSA-N	321.425	1.984	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNc1nncc(N)c1Cl	1116418830	KZBSMUXLHNSWQV-LURJTMIESA-N	323.788	1.689	50	20	DDGD	
CC(=O)NC1(C(=O)NNc2nc3ccccc3[nH]2)CCCCC1	870212313	KFAQMAQPBNRCPX-UHFFFAOYSA-N	315.377	1.845	50	20	DDGD	
COC(=O)N(C)NC(=O)NCC(C)(C)c1ccc2c(c1)OCO2	875179942	HOEMSQLGOIXMOV-UHFFFAOYSA-N	323.349	1.605	50	20	DDGD	
C#CCCCCCC(=O)NNC(=O)c1ccc2c(c1)OCCO2	779758787	ANTMWJGGXGGLOP-UHFFFAOYSA-N	316.357	1.803	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNc2ccc(C#N)cn2)C12CCC2	888373635	NDAXCYNRGLMYCW-OLZOCXBDSA-N	315.377	1.927	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCc2ncncc2C1	883035113	RIFJPTWGNOHGBF-UHFFFAOYSA-N	319.796	1.727	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(OC)c(C)c(OC)c1	887139687	ZLIFSVMLDKUPAD-UHFFFAOYSA-N	304.346	1.577	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C(=O)Nc1ccc2c(c1)COC2	784849514	XEHQWXQISMGIJX-UHFFFAOYSA-N	316.292	1.333	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1cccc(C)c1F	1121104999	OFRHJCBPEKHHPK-UHFFFAOYSA-N	305.309	1.024	50	20	DDGD	
CSc1ccccc1NC(=O)C(=O)NNc1ccc(C)nn1	783953240	LOROQBNKOASBSN-UHFFFAOYSA-N	317.374	1.589	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCCO[C@@H]1CCOC1	885725137	SJGDFTTYZVOHFO-NXEZZACHSA-N	308.216	1.718	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1ccnc(CN(C)C)c1	880613233	QWFJYOZGNWLUPB-UHFFFAOYSA-N	300.366	1.995	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2CCC(OC)CC2)nc1	780965494	MVWPIUHBVONHKN-UHFFFAOYSA-N	307.350	1.517	50	20	DDGD	
CO[C@]1(C(=O)NNC(=O)CCCc2ccccc2)CCSC1	888772807	ULZQJBYLDJSZAY-MRXNPFEDSA-N	322.430	1.679	50	20	DDGD	
CC(=O)NC1(C(=O)NNC(=S)NC(C)(C)C)CCCCC1	899992016	JRUFLLVIRMPLEC-UHFFFAOYSA-N	314.455	1.119	50	20	DDGD	
CCCC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccsc1	785454351	ZLDRMUITBLPLEQ-NSHDSACASA-N	314.432	1.803	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@@H](C)[C@H](O)CC	899940248	INRSUXJJZSJARS-NWDGAFQWSA-N	324.377	1.019	50	20	DDGD	
CS[C@H](CNC(=O)NNC(=O)Cc1cccnc1)C(C)(C)C	784289452	IACXEWMAWCYPMS-GFCCVEGCSA-N	324.450	1.732	50	20	DDGD	
CCN(C)C(=O)[C@H](C)NC(=O)[C@@H](Br)C(C)(C)C	789872849	QVRBHNCJCOESHF-DTWKUNHWSA-N	307.232	1.779	50	20	DDGD	
COc1ncc(C(C)=NNC(=O)c2cnn(C)c2)cc1Cl	789020030	CJLUACVBQIFPGD-UHFFFAOYSA-N	307.741	1.631	50	20	DDGD	
Cn1c(NNC(=O)[C@@H]2CCN2C(C)(C)C)nc2ccccc21	897738774	ABVHHDMXEGFVBQ-ZDUSSCGKSA-N	301.394	1.889	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@@H]1CC(c2ccccc2)=NO1	781804339	HFQXCFPJWZQDIQ-LBPRGKRZSA-N	317.736	1.766	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2CCN2C(C)(C)C)ccc1F	897922884	ZHPWHOXUAUFDIQ-ZDUSSCGKSA-N	323.368	1.928	50	20	DDGD	
Cc1nc(C)c(NC(=O)C(=O)NNc2ccc(F)cc2)s1	784784379	MUDQTDHJNVKXQB-UHFFFAOYSA-N	308.338	1.981	50	20	DDGD	
CC[C@H](O)[C@H](C)C(=O)NNC(=O)c1ccc2ccccc2n1	899903883	BHQAOPCKYVFQFA-HZMBPMFUSA-N	301.346	1.403	50	20	DDGD	
NC(=O)c1csc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])c1	791070369	JOBBRTDUUGHWBY-UHFFFAOYSA-N	324.293	1.651	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNC(=O)COc1cccc(C)c1	791010837	ZUCHZVSENZHCEA-CYBMUJFWSA-N	303.362	1.506	50	20	DDGD	
CSSCCNC(=O)Cn1nnc(-c2ccc(C)cc2)n1	791154560	GULHSNWLTPKGNH-UHFFFAOYSA-N	323.447	1.776	50	20	DDGD	
COC1(C=NNC(=O)CNC(=O)c2cccs2)CCCCC1	790165128	KFOKUMLDSZKHBM-UHFFFAOYSA-N	323.418	1.929	50	20	DDGD	
COC(=O)C1(CNC(=O)NCCSSC)CCOCC1	790812297	GEJRGCFQRGLAFM-UHFFFAOYSA-N	322.452	1.267	50	20	DDGD	
N#CC[C@H](CC(=O)NNc1ccc(C(N)=O)nn1)c1ccccc1	795170905	ANTAWMYPWRQGER-GFCCVEGCSA-N	324.344	1.106	50	20	DDGD	
CO[C@H](C(=O)NNc1cnc2ccccc2n1)c1cnn(C)c1	798993241	HNFKSKOCKOOACL-AWEZNQCLSA-N	312.333	1.194	50	20	DDGD	
Cc1cnn(C)c1C=NNC(=O)c1cnn(-c2ccccc2)c1	794912962	OYLHWDFQUVTVJB-UHFFFAOYSA-N	308.345	1.678	50	20	DDGD	
COc1cccc(NNC(=O)NOCc2ccccc2OC)n1	798560288	MWQIYNKSTPKGKP-UHFFFAOYSA-N	318.333	1.857	50	20	DDGD	
N#CC[C@@H](CC(=O)NNC(=O)Cc1ccncc1)c1ccccc1	793602077	OUTVFGXSJWWTCU-INIZCTEOSA-N	322.368	1.859	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCc2cccnc2)cc1	1317879226	ZMQBAJXYVOLVKI-UHFFFAOYSA-N	314.345	1.277	50	20	DDGD	
CN(N=C1NS(=O)(=O)c2ccccc21)C(=O)OC(C)(C)C	1326044934	BHFYKKFZINPWJK-UHFFFAOYSA-N	311.363	1.507	50	20	DDGD	
Cc1ccc([C@@H](C)N(C)C(=O)NNC(=O)c2cn[nH]c2)cc1	1329758127	FSSYQSVHZDIBRH-LLVKDONJSA-N	301.350	1.766	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)C1=CCCCCC1	1324154084	PPVXXYVPDNJJRE-UHFFFAOYSA-N	302.378	1.940	50	20	DDGD	
Cn1nccc1CCNC(=O)NNc1ccc(C(C)(C)C)nn1	1321130407	KVEYRITXLOGCDS-UHFFFAOYSA-N	317.397	1.376	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ncc(F)cn2)cnc1Cl	1320726984	WQGNZFZOBDMBLR-UHFFFAOYSA-N	324.703	1.054	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2ccn(C)n2)nn1-c1ccccc1	1320949487	RMZOJDPLYYHCGP-UHFFFAOYSA-N	324.344	1.031	50	20	DDGD	
O=C(NNC(=O)C1[C@@H]2CCC[C@@H]12)c1cncn1-c1ccccc1	1252589677	NRQNLJHFRJUICW-CHWSQXEVSA-N	310.357	1.679	50	20	DDGD	
CC(C)(C(=O)NN=CC(C)(C)S(C)(=O)=O)c1ccccc1	1335768654	QFDZQOBVJNYGGF-UHFFFAOYSA-N	310.419	1.889	50	20	DDGD	
CS[C@@H](C)CCC(=O)NNC(=O)c1n[nH]c2c1CCCC2	1337161474	ZRXLYDSXOHXVGF-VIFPVBQESA-N	310.423	1.581	50	20	DDGD	
COc1ccccc1C1(C(=O)NNC(=O)c2cn[nH]c2)CCC1	1331805419	HNZBBNMZLSEZDI-UHFFFAOYSA-N	314.345	1.301	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cccc(C(=O)OC)c1	1252945128	SNJPCJKBDMJQKF-UHFFFAOYSA-N	319.361	1.228	50	20	DDGD	
C=CCN(C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br)C(C)C	1261769920	JXZAILRBFOFTIE-GXFFZTMASA-N	317.227	1.699	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)OCC(F)(F)F)c(C)n1	1262632333	GMMJOKKGGYJYLI-UHFFFAOYSA-N	308.260	1.535	50	20	DDGD	
O=C(NC1CC1)c1cc(F)c(NNC(=O)[C@@H]2C[C@H]2F)c(F)c1	1521273220	ZJFDRKDLIFCZMX-RKDXNWHRSA-N	313.279	1.658	50	20	DDGD	
O=C(O)CC1(CC(=O)NNC(=O)CC(F)(F)F)CCCC1	1601913616	SDIYONHFTFPYGH-UHFFFAOYSA-N	310.272	1.511	50	20	DDGD	
O=C(CNCC(F)(F)F)NNc1cccc(C(=O)O)c1F	1601325280	AANXQUIXXVEVJY-UHFFFAOYSA-N	309.219	1.119	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)Nc1ccc(C(=O)O)s1	1601556018	VSWCYMYOHIUAIP-UHFFFAOYSA-N	321.314	1.618	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@H]1COc2ccccc2C1	1606529064	XPWDFQYPNRQMOI-LLVKDONJSA-N	313.313	1.474	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCCCC[C@@H]2C(=O)O)cn1	1600946004	KCOLFWFFKBXSMN-FFXRNRBCSA-N	302.334	1.183	50	20	DDGD	
Cn1cc(CCC(=O)NNc2ccc(C(=O)O)c(Cl)c2)cn1	1608108745	SUXGGOHYUXHBFY-UHFFFAOYSA-N	322.752	1.848	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCC(C)C)cc(-c2nn[nH]n2)n1C	1609383425	RWULOWHPVXRIKC-LFYBBSHMSA-N	313.365	1.193	50	20	DDGD	
COc1cc(CNC(=O)NNc2cccc(C(=O)O)c2)ccn1	1607161509	AICNXDPCVRHVMR-UHFFFAOYSA-N	316.317	1.615	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)NNc2ccccc2C(=O)O)C1	1603016973	QZRKJPGYZBWRKE-HNNXBMFYSA-N	305.334	1.086	50	20	DDGD	
C=C(C)C[C@@H](C)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	1609051270	UMQYKORQBJRKLF-MRVPVSSYSA-N	321.772	1.961	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)N[C@@H]1C[C@H]2CC[C@H]1C2	1606858064	IQFKVBACYYMBMU-ATZCPNFKSA-N	314.353	1.076	50	20	DDGD	
O=C(C1CCC(Cl)CC1)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21	1548715920	SRFNPPPBCAMETB-FIYWTHMPSA-N	319.854	1.962	50	20	DDGD	
CCCC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1ccccn1	1549319694	IUCYQTOBTMQIMN-CZUORRHYSA-N	316.405	1.565	50	20	DDGD	
CC(=O)NC[C@@H]1CCN(C(=O)[C@H](F)Cl)[C@H]1c1cccnc1	1806712523	SGSXKUOXKXYALV-AVGNSLFASA-N	313.760	1.642	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(C(=O)O)cc2F)o1	1610484938	QEVLLFGQZRJBOW-UHFFFAOYSA-N	306.249	1.500	50	20	DDGD	
Cc1cc(C)cc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)c1	1549318789	RFEVMDPCDKMKSS-HOTGVXAUSA-N	301.390	1.617	50	20	DDGD	
O=C(NN=Cc1cccc2cnccc12)[C@H]1CN2CCC[C@H]2CO1	1549322550	ZYMDOWREACBUSW-DOTOQJQBSA-N	324.384	1.548	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCC[C@@]2(C)N)cc1O	1579663783	ICKRBYRURIRWJN-BLLLJJGKSA-N	305.378	1.369	50	20	DDGD	
O=C(CC[C@H]1CCCNC1)NNC(=O)c1ccc(Cl)cc1	1580528775	TXPGJXUWISWLFP-LLVKDONJSA-N	309.797	1.881	50	20	DDGD	
NCC1(CC(=O)NNC(=O)Cc2cccc3ccccc23)CC1	1580241604	HHKQFOVGKQXEKC-UHFFFAOYSA-N	311.385	1.659	50	20	DDGD	
O=C(c1cc[nH]n1)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846386748	ULVCITLODQXBRG-UHFFFAOYSA-N	317.176	1.030	50	20	DDGD	
O=C(NCc1ccccc1C(=O)O)NNc1ccc(Cl)nn1	1594771923	HNDXOGNJZLWJMP-UHFFFAOYSA-N	321.724	1.655	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccc(C(=O)O)cn2)cc1	1593635167	BDNZPYPHUSPFDL-UHFFFAOYSA-N	313.313	1.417	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1ccc(C(=O)O)nc1	1776120291	ARIDMCREJJIUOR-XYOKQWHBSA-N	303.318	1.230	50	20	DDGD	
COCc1nocc1C=NNC(=O)c1ccc(C(=O)O)cc1	1776101501	KVHNZDNUPMIESS-UHFFFAOYSA-N	303.274	1.283	50	20	DDGD	
C/C=C(/C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl	1796370627	NNYWHPVAAOAAOC-JCCYUTAASA-N	318.776	1.077	50	20	DDGD	
O=C(CSCc1ccncc1)NNc1ncccc1[N+](=O)[O-]	153437365	LGMZEYASDDRSOW-UHFFFAOYSA-N	319.346	1.761	50	20	DDGD	
O=C(NNc1c(F)cccc1F)c1sccc1-n1cnnn1	156531517	FXSLQLZEDMPMMG-UHFFFAOYSA-N	322.300	1.759	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cnn(CCC(C)C)c1C	159388091	QFNRCUKXBFWOST-UHFFFAOYSA-N	318.381	1.344	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2	106007166	WFEHRALVZQAORW-VHSXEESVSA-N	312.391	1.366	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCc1ccccc1	56501948	IFACUGKRHHUYDD-UHFFFAOYSA-N	313.357	1.768	50	20	DDGD	
CCn1nc(C(C)C)cc1C(=O)NNC(=O)c1c[nH]nc1C	110759906	RIIMUJLMOBVORL-UHFFFAOYSA-N	304.354	1.133	50	20	DDGD	
Cc1nc2ccccc2cc1C(=O)NNC(=O)c1cnn(C)c1	117682621	XGSZPDUIRGFIOI-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)C(C)(C)C)N(C)Cc1ccccc1	111499605	FEIWSTCGHIBMEG-CYBMUJFWSA-N	320.437	1.883	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1	21904153	UIZMJHMMBOPPHL-UHFFFAOYSA-N	312.325	1.841	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCc2cscn2)nc1	179791777	ACZFKZRXVPCVBL-UHFFFAOYSA-N	306.347	1.401	50	20	DDGD	
O=C(NNC(=O)c1cccc(-n2cccn2)c1)c1cccnc1	116714163	ISCGNQXALRUZAC-UHFFFAOYSA-N	307.313	1.342	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCOc1ccccc1F	110759486	DDUZUWWAXJUWMO-UHFFFAOYSA-N	306.297	1.087	50	20	DDGD	
CCOCCNC(=O)NNC(=O)c1cccc2ccccc12	175375419	OZLLTMYQWZZBEJ-UHFFFAOYSA-N	301.346	1.820	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNC(=O)COc1ccc(C)c(C)c1	119748617	XAYCUHWSCRYYHG-MRXNPFEDSA-N	308.378	1.381	50	20	DDGD	
Cc1ccc(C(=O)NNC(=S)N[C@H](C)C2CC2)cc1[N+](=O)[O-]	175547922	MYZIBRVRLKGTHI-SECBINFHSA-N	322.390	1.811	50	20	DDGD	
NC(=O)[C@@H](NNC(=O)c1ccc2ccccc2n1)c1ccccc1	26221886	TXQOSKGKILMHJI-INIZCTEOSA-N	320.352	1.696	50	20	DDGD	
C[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1	39478596	YGTGUOSZCCLUAK-LBPRGKRZSA-N	311.341	1.266	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCCc2ccccn2)c1	65145393	KXLBRKIHPLSOGH-UHFFFAOYSA-N	309.329	1.140	50	20	DDGD	
CCCn1cc(NC(=O)NNC(=O)c2ccc(C)cc2O)cn1	186222695	JZHGAPCPSINYTQ-UHFFFAOYSA-N	317.349	1.774	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2c(C)ccn2C)c1	188896810	BRYWGYBPLALVIN-UHFFFAOYSA-N	315.373	1.790	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCc2ccco2)cc([N+](=O)[O-])c1	122749841	HWRSXNRCRKJWMC-UHFFFAOYSA-N	318.289	1.640	50	20	DDGD	
CC(C)C(=O)NNC(=O)COc1cccc(C(F)(F)F)c1	32750285	MQAARHDUQXWUFY-UHFFFAOYSA-N	304.268	1.888	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)Cc2cccnc2)ccc1F	187074980	GVQFSXAMKNIDJB-UHFFFAOYSA-N	318.308	1.625	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNc2ccc3ccccc3n2)C1	181113347	NMOVWYRDAUOBEW-ZDUSSCGKSA-N	312.373	1.936	50	20	DDGD	
Cc1[nH]ncc1CCCNC(=O)NNc1ccc(Cl)nn1	122735920	FAJUQRHBGCMBJX-UHFFFAOYSA-N	309.761	1.420	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2csnn2)c1C	75473318	DVDHBVZLSVTGTG-JTQLQIEISA-N	320.374	1.383	50	20	DDGD	
CC[C@@H](C)[C@H](C)C(=O)NNC(=O)CNc1ccccc1OC	182973236	ZGZZOZLDXNHHNX-NEPJUHHUSA-N	307.394	1.937	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2CCCN2C2CCOCC2)n1	180740746	HITXMDWDXZRHPJ-ZDUSSCGKSA-N	320.393	1.177	50	20	DDGD	
COCCOC[C@H]1CCN(S(=O)(=O)CCCCCl)C1	154469689	FXZRKPDOBYTGPV-LBPRGKRZSA-N	313.847	1.320	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2cccs2)n[nH]1)c1cnccn1	79402823	CLACMEXDFOKPCN-UHFFFAOYSA-N	314.330	1.003	50	20	DDGD	
CCS(=O)(=O)c1cccc(CC(=O)NNc2ccccn2)c1	184237870	PMSQPJSULBSMPD-UHFFFAOYSA-N	319.386	1.561	50	20	DDGD	
CCc1ccnc(C(=O)NNC(=O)Cc2ccccc2OC)c1	181783094	MHKDUMLHBZJIIR-UHFFFAOYSA-N	313.357	1.656	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cc(C#N)ccc1Cl	186949578	OBLNKOLHICUWOW-QMMMGPOBSA-N	315.782	1.567	50	20	DDGD	
N#C/C(=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(N)=O	33926543	CSRAIWFRDQQDQK-XYOKQWHBSA-N	300.318	1.977	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnc(C)nc2C)c(O)c1	181881569	GXZMHCQYVCJOEH-UHFFFAOYSA-N	300.318	1.182	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCC[C@H](O)C2)cc1	78314162	JWWSMCUOVRAIDZ-LTBFUDJGSA-N	300.358	1.976	50	20	DDGD	
O=C(NCC[C@H]1CCCCO1)NNc1nc2ccccn2n1	189861835	LZTRMHCEZLWKLF-LLVKDONJSA-N	304.354	1.315	50	20	DDGD	
COC[C@@H](C)n1ccc(NC(=O)NNC(=O)CC(C)(C)C)n1	189787316	IJQNQIOSTCFOAI-SNVBAGLBSA-N	311.386	1.679	50	20	DDGD	
COc1nccnc1NNC(=O)Cc1cccc([N+](=O)[O-])c1C	132074007	SBPBHKMZZYGKKW-UHFFFAOYSA-N	317.305	1.388	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccccc1OC(F)F	132184906	HRBYHZQDVZHSGB-UHFFFAOYSA-N	310.260	1.844	50	20	DDGD	
O=C1CCCC[C@@H](C(=O)NNc2ccc(OC(F)F)cc2)N1	194389252	UKBJCFGQENJYCZ-NSHDSACASA-N	313.304	1.790	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNc1ccc(Cl)nc1	266528941	MDGIAVXCRPSFDQ-NSHDSACASA-N	310.785	1.969	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](C)c1cnn(C)c1	266493851	AIOQUCNIPAPSPH-NSHDSACASA-N	301.350	1.434	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)NCc2ccco2)nn1C	266896796	CKSMLPOPRXTTCO-UHFFFAOYSA-N	305.338	1.281	50	20	DDGD	
COc1ccc(CCCC(=O)NNC(=O)NC2CC2)c(OC)c1	269889762	BGFLNVNXBVBBNC-UHFFFAOYSA-N	321.377	1.519	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2c[nH]nc2C2CC2)c1	276914641	RROGEAXXWVQRBO-UHFFFAOYSA-N	300.318	1.831	50	20	DDGD	
CC1(C)CCC[C@@H]1C(=O)NNC(=O)Cc1cn2ccccc2n1	274643159	AOXYGBYPGHJROS-CYBMUJFWSA-N	314.389	1.851	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccc(Br)c1	271254550	GIGPFTCXPKZSAC-UHFFFAOYSA-N	300.156	1.755	50	20	DDGD	
O=S(=O)(CBr)N[C@H]1[C@@H]2c3ccccc3C[C@H]21	272779643	HEECNSLVGBTUMR-GMTAPVOTSA-N	302.193	1.597	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)C1CCN(C2CC2)CC1	279778912	TYSXNDUDFZWFKB-UHFFFAOYSA-N	301.390	1.630	50	20	DDGD	
O=C(NNc1cccc(F)n1)Nc1cnn(C[C@H]2CCCO2)c1	376801934	OPQXARJMOUMYSU-LLVKDONJSA-N	320.328	1.745	50	20	DDGD	
C=C(CNC(=O)NNC(=O)[C@H](C)OCCOC)c1ccccc1	287780042	AKWDSEJQLGFRAG-ZDUSSCGKSA-N	321.377	1.082	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)[C@@H]1C[C@]12CCOC2	376359044	JNLSWMFQBSKCQU-LPHOPBHVSA-N	324.380	1.956	50	20	DDGD	
CSSCCNC(=O)N[C@@H](CO)Cc1ccccc1	284224669	NYXZDBCVQUJSTO-GFCCVEGCSA-N	300.449	1.900	50	20	DDGD	
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NNc1nccc(OC)n1	281167354	CWMJLWUWJGETEF-ZYHUDNBSSA-N	307.354	1.093	50	20	DDGD	
O=C(NNc1cccc(F)n1)C1CCN(CC(F)(F)F)CC1	286614782	QOPQLHBDMWRANH-UHFFFAOYSA-N	320.290	1.938	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(F)c1Cl	288047600	MAKGRBYSHLLGLS-ZETCQYMHSA-N	315.732	1.611	50	20	DDGD	
CCCN(NC(=O)[C@H](O)c1cccnc1)C(=O)OC(C)(C)C	286092956	CKQVSWNDWRXREC-GFCCVEGCSA-N	309.366	1.793	50	20	DDGD	
C#CCN1CCC(C(=O)NNc2ccc3c(O)nccc3c2)CC1	285840479	XPOYETABQWKMQL-UHFFFAOYSA-N	324.384	1.729	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@H]1CCCc2ccccc21	281165583	IMFTXSPLTFUNJK-NSHDSACASA-N	315.295	1.999	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H](OC(C)C)c1ccccc1	292129863	GPAJRJVWGOTPTF-CQSZACIVSA-N	323.393	1.520	50	20	DDGD	
COCc1ccccc1CNC(=O)NNC(=O)[C@@H]1CCCCO1	296584796	MYIWPAQKRQXOTK-AWEZNQCLSA-N	321.377	1.233	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@@H]1OC[C@@H]2COCC[C@@H]21	291356682	SUJCCNNJIGMLJL-TVYUQYBPSA-N	307.306	1.089	50	20	DDGD	
CCc1ccc(C(=O)NNc2ccc(-n3ccnc3)nn2)c(O)c1	804957962	FJSXXXQBNGCZNR-UHFFFAOYSA-N	324.344	1.687	50	20	DDGD	
N#CCOc1ccc(CNC(=O)NNc2ncccc2F)cc1	805057886	JMUWDTAPKFSEAQ-UHFFFAOYSA-N	315.308	1.949	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C(C)(C)C2CC2)c1	806292649	FYJLNOIYZMZMSI-UHFFFAOYSA-N	306.362	1.901	50	20	DDGD	
Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NNc1cccc(F)n1	804771916	SUDJDQQZSZGDOF-UHFFFAOYSA-N	309.232	1.607	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)Nc1ccc(OC)cc1	802057780	NNBYQUVZWNEEGH-UHFFFAOYSA-N	307.350	1.831	50	20	DDGD	
COC1(CCNC(=O)NNc2nc3ccccn3n2)CCC1	297528949	XUGIWLLXCUMXNL-UHFFFAOYSA-N	304.354	1.315	50	20	DDGD	
CN(C)CC(=O)NNC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1	802518613	HIVODOYZXBCIIQ-NSHDSACASA-N	321.274	1.425	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)CNc2ccccc2C(N)=O)c1	809730917	KJOLOYXVSDDJON-UHFFFAOYSA-N	312.373	1.958	50	20	DDGD	
O=C(CCC(=O)c1ccc(F)cc1)NNC(=O)[C@H]1CCCCO1	295273319	CAMGTAGDQAEGRP-CQSZACIVSA-N	322.336	1.505	50	20	DDGD	
CC[C@@H](Oc1ccccc1C)C(=O)NNC(=O)[C@@H]1CCCO1	293998696	MAMPSDDGQJWEQR-OCCSQVGLSA-N	306.362	1.479	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CCN/C(O)=C1/N=CC=CC1=O	808245955	KIZYXBZWEXGYOS-QXMHVHEDSA-N	320.176	1.165	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@@H]1CCN2CCCC[C@@H]12	298714328	HASVWNBPQFSBND-KGLIPLIRSA-N	320.368	1.397	50	20	DDGD	
N#Cc1ccncc1C(=O)NNC(=O)c1cccc(Cl)c1	805152497	ZYKNKMHHYFWAGN-UHFFFAOYSA-N	300.705	1.681	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cc(C2CC2)n(C)n1	290618879	PZKRRKLLFCMWOH-UHFFFAOYSA-N	303.326	1.245	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)COCc1ccccn1	807777275	KZLRIFROCMRPAJ-UHFFFAOYSA-N	316.317	1.958	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)[C@H]1CCCCO1)c1ccc2c(c1)OCO2	295665134	WJVBZUVFSUAERW-ZWNOBZJWSA-N	320.345	1.235	50	20	DDGD	
O=C(NNc1ncccn1)C(=O)Nc1cccc(F)c1Cl	806983653	BERUIIZVWYZJSU-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
CCn1nncc1C(=O)NNC(=O)Nc1cc(F)cc(F)c1	816595508	PZZMNDIBHLZWLK-UHFFFAOYSA-N	310.264	1.043	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H]2CNOC2)c1C	819756543	XXAZGJDNLGZYCP-GSHXUFRSSA-N	303.362	1.869	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)Cn1ccc2ccccc21)C1CCC1	813443231	YWVHVEGIUCPTOY-QGZVFWFLSA-N	315.373	1.340	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)CSc2ccccc2O)CC1(F)F	817553043	BAQGDRCCPPDSJP-GFCCVEGCSA-N	316.329	1.677	50	20	DDGD	
CC(F)(F)c1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1	815475437	LUAFWUHKXLMUNC-UHFFFAOYSA-N	308.288	1.525	50	20	DDGD	
CC(=NNC(=O)[C@H]1COc2ccccc2O1)c1ccc(N)nc1	814701329	VIEYFTIIYMJGDZ-CQSZACIVSA-N	312.329	1.344	50	20	DDGD	
O=C(CO)NN=C1CCCc2sc(Br)cc21	814895977	BPZNJMAZRDHGIM-UHFFFAOYSA-N	303.181	1.660	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NNC(=O)CC1CC1	819135771	DIMWSDSBROICPR-FZMZJTMJSA-N	324.425	1.154	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)Cc1ccccc1OC	812479706	NXDYKAYLJZPITM-NWDGAFQWSA-N	308.378	1.304	50	20	DDGD	
COc1ccccc1-n1ncc(C(=O)NNc2nc[nH]n2)c1C	816633869	PGOSFYSCPZFXQE-UHFFFAOYSA-N	313.321	1.064	50	20	DDGD	
C[Si](C)(CNC(=O)NNc1cccnn1)c1ccccc1	812213938	FFHDIJSSQTWHNM-UHFFFAOYSA-N	301.426	1.258	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)CC2CC2)c1OC	819123397	XTRCSTYMAOEUIY-UHFFFAOYSA-N	306.362	1.584	50	20	DDGD	
CN(NC(=O)[C@H]1CCCCN1C(=O)c1ccccc1)C1CC1	819645328	GYKRQNDHQZYSOJ-OAHLLOKOSA-N	301.390	1.807	50	20	DDGD	
CCOc1cc(C=NNC(=O)Cc2cc[nH]n2)ccc1OC	814957809	QGUVQHDANMEWJO-UHFFFAOYSA-N	302.334	1.510	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2cccc(Cl)n2)[C@H]1OC	814321926	ULYKVTRBXHNATA-KBVBSXBZSA-N	314.773	1.554	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccc2c(c1)OCCCO2	817067873	RYCOWZVJNATSGD-UHFFFAOYSA-N	304.281	1.534	50	20	DDGD	
CCn1nncc1C(=O)NNC(=O)CSc1ccc(C)cc1	814758898	KRSCXGBITGTWEQ-UHFFFAOYSA-N	319.390	1.160	50	20	DDGD	
C[C@H]1C[C@H]1C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1	726862267	HPMATQPAIVZLGE-TVQRCGJNSA-N	309.391	1.226	50	20	DDGD	
CN(C/C=C\C(=O)NNC(=O)NC1CCCC1)CC(F)(F)F	493470720	WPDHVIGKQBMMBQ-DAXSKMNVSA-N	322.331	1.310	50	20	DDGD	
CCSc1ccc(C(=O)NNC(=O)CC(F)(F)F)cn1	727852044	QHJWMNHRTRQZKC-UHFFFAOYSA-N	307.297	1.907	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCc2c(O)ncnc2C1	491052201	VEUBUHJQESEXBN-KPKJPENVSA-N	322.324	1.380	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCSC(C)(C)C	825876518	HSRALFJZYMXYRE-ZJUUUORDSA-N	303.428	1.274	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1ccc2oncc2c1	495721502	QMSZNYUXMQMKFJ-UHFFFAOYSA-N	318.333	1.803	50	20	DDGD	
CC(=O)NNC(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1	496156254	RNNZZODACHJPIV-CQSZACIVSA-N	319.361	1.345	50	20	DDGD	
CCCNC(=O)/C(C#N)=C\c1ccc(F)c(-c2nn[nH]n2)c1	825328353	QMPXZQFRHAZYRO-POHAHGRESA-N	300.297	1.439	50	20	DDGD	
CS(=O)(=O)c1ccc(NNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)cc1	827176716	ZWJDIJXHXHRSLN-UHIISALHSA-N	308.403	1.969	50	20	DDGD	
CCC[C@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)C(=O)OC	490913107	YLBDPUMKHOOHMW-TZIYXEQSSA-N	302.330	1.757	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC[C@H](C(C)(C)C)C1	827274414	OEISBCVMYRKQIT-AVGNSLFASA-N	311.426	1.910	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1cccc(O)c1	826993388	OAZHRZPRXURMID-GIPNMCIBSA-N	307.350	1.209	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)CCC1CCCC1	726075560	AYPLPFREZUUKAE-UHFFFAOYSA-N	301.456	1.831	50	20	DDGD	
C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NN(C)[C@@H](C)CO	823934346	FNCHQMAVRMZWGZ-QWRGUYRKSA-N	312.797	1.893	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@H]1CCN(c2ccccc2)C1	823107897	DSQLXVHWHWVUDT-HNNXBMFYSA-N	324.384	1.298	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NC[C@@H](CO)C(C)C)cc(C#N)n1C	490944652	XEBBWXYMDFYDTD-AGKVCYSUSA-N	314.389	1.493	50	20	DDGD	
COc1cccc(NNC(=O)c2cc3n(n2)CCCC3=O)n1	907258406	NMDXJKAICLBMIB-UHFFFAOYSA-N	301.306	1.020	50	20	DDGD	
Cc1csc([C@@H](C)C(=O)NNC(=O)Cc2ccncc2)n1	829560065	DNCOXKMNTSFAPJ-JTQLQIEISA-N	304.375	1.340	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N(CCC(F)(F)F)C1CCC1	584956861	CMJKYFITVSXFAE-UHFFFAOYSA-N	315.100	1.314	50	20	DDGD	
Cc1ccc([C@]2(C)CCN(C(=O)c3ccc(B(O)O)cc3)C2)cc1	584982920	KYKZGIMKKJMACU-LJQANCHMSA-N	323.201	1.479	50	20	DDGD	
COc1ccc(Cl)cc1C(F)(F)C(=O)NN(C)[C@H](C)CO	823384545	OCGNBAWBMHDNPM-MRVPVSSYSA-N	322.739	1.784	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(Br)cnc1Cl	497199467	CRLVTRKOVLLSGI-UHFFFAOYSA-N	322.546	1.841	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)[C@@H]2COc3ccccc3O2)cn1	732710566	MJNMFUVRVZEMOJ-HNNXBMFYSA-N	314.345	1.754	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCC[S@@](C)=O)c1C	735050776	BVCSZRUPVMZPGP-RCJYHZQCSA-N	321.446	1.917	50	20	DDGD	
Cc1noc(C[C@H]2CCCN(S(=O)(=O)CCCCl)C2)n1	907497959	KNSYWSLMIMFDSG-LLVKDONJSA-N	321.830	1.591	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1CC[C@H](CC2CCCC2)C1	584978350	ZHGGSRGDXCXBDX-CYBMUJFWSA-N	319.185	1.548	50	20	DDGD	
O=C(NC[C@H]1CCCCC1(F)F)c1cc(B(O)O)ccc1F	584995711	QLDWTLIBUCYJCR-SECBINFHSA-N	315.100	1.061	50	20	DDGD	
C[C@]1(C(=O)NC[C@H](O)COCC2CC2)C[C@H]1Br	907007830	GHNSMNVGQBYJRN-UMNHJUIQSA-N	306.200	1.064	50	20	DDGD	
CS[C@@H]1CCC[C@H](NC(=O)NNC(=O)CC(F)(F)F)C1	735385182	WNINKZGVMLGMDH-JGVFFNPUSA-N	313.345	1.943	50	20	DDGD	
COc1ccc(C2(CNCc3cccc(B(O)O)c3)CC2)cc1	585031241	SYQQHLOCRPORHF-UHFFFAOYSA-N	311.190	1.196	50	20	DDGD	
COc1cc(C(=O)N2CC[C@@H](B(O)O)C2)ccc1OC(C)C	585075127	QJDIHHOUKBHZDZ-GFCCVEGCSA-N	307.155	1.171	50	20	DDGD	
O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)NC1CCC1	730583510	NBMULBZTRBPWIT-UHFFFAOYSA-N	315.333	1.074	50	20	DDGD	
Cc1cc(Cl)cc(C)c1S(=O)(=O)NNC(=O)NC(C)C	901614169	IMGDXBLNRRPQOP-UHFFFAOYSA-N	319.814	1.858	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1	495408583	SHJZFLQOBYFTQO-RYUDHWBXSA-N	321.377	1.297	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2c[nH]nc2C(C)(C)C)ccn1	731561380	BYQVYCAKURSOAN-UHFFFAOYSA-N	314.393	1.932	50	20	DDGD	
CC(CN1Cc2ccccc2C1=O)=NNC(=O)[C@H]1CCCCO1	834987288	VZLRNUOQTRWUSM-OAHLLOKOSA-N	315.373	1.704	50	20	DDGD	
C[C@@H]1CCc2[nH]nc(C(=O)NNC(=O)NC3CCCC3)c2C1	900413517	VHWAMTCGVUAXLL-SECBINFHSA-N	305.382	1.421	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1sccc1NC(C)=O	735409446	VPKHFILDYSBWRJ-UHFFFAOYSA-N	310.423	1.889	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H](NC(=O)O)C(C)C	738779456	ZQQMNAYQJLMLKT-NSHDSACASA-N	308.338	1.440	50	20	DDGD	
C[C@H](N)C[C@H](C)NC(=O)NNC(=O)c1cccc2cccnc12	831203788	ZSKATLKHMKUDBE-QWRGUYRKSA-N	315.377	1.305	50	20	DDGD	
CN(C)C(=O)c1cccc(C=NNC(=O)[C@H]2CCCCO2)c1	901249500	COEKIKFFEKUCMH-CQSZACIVSA-N	303.362	1.408	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@H]2CCO[C@@H]2C)c(O)c1OC	901259909	UGHLUDZIOCRCKX-KOLCDFICSA-N	308.334	1.285	50	20	DDGD	
CN(Cc1nnc2ccccn12)C(=O)[C@]1(C)C[C@H]1Br	906480443	ZMSMOZWMZVQQOQ-NOZJJQNGSA-N	323.194	1.861	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2ccc(O)c(Br)c2)cn1	735411015	HKFVRNHEAQAUMP-UHFFFAOYSA-N	323.150	1.652	50	20	DDGD	
C[C@H](N)C[C@@H](C)NC(=O)NNc1ccc2c(=O)[nH]ccc2c1	831217919	ODTFZWYIZQDLES-VHSXEESVSA-N	303.366	1.280	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)c(C(F)(F)F)o1	833241895	GAXFYANHMFMZGG-VIFPVBQESA-N	320.267	1.937	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cc(C)cc(C)c1	730434563	NRLKHNJLBMWRCP-GFCCVEGCSA-N	311.407	1.081	50	20	DDGD	
O=[N+]([O-])c1cnc2c(F)cccc2c1N1CC[C@@H](B(O)O)C1	585078714	KCWDBBFDLGJYPT-MRVPVSSYSA-N	305.074	1.335	50	20	DDGD	
O=C(CCOC[C@@H]1CCCO1)NNC(=O)NC1CCCCC1	916106947	KYFXCRXTTLUUKT-ZDUSSCGKSA-N	313.398	1.235	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=Cc2cccc(O)c2O)cc1	916300252	VRNRLWKESITYNS-UHFFFAOYSA-N	311.297	1.499	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C[C@H]2CCCC[C@@H]2O)ccc1F	837039678	SUWXLFDKZDFXKN-YGRLFVJLSA-N	324.352	1.997	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)N[C@@H](C)C[C@H](C)N	831197240	KHUKNKYLBRFOCT-RYUDHWBXSA-N	322.409	1.084	50	20	DDGD	
CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](C)c1ccccc1	746371100	USNDUEACMQZRJA-PWSUYJOCSA-N	311.407	1.220	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCC(C)CC1)c1ccncn1	834932050	DZXCNBHRAZNYLG-CYBMUJFWSA-N	303.410	1.685	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)COc1ccc(C)c(C)c1	916107672	HPYURUXKGXHYKL-UONOGXRCSA-N	306.362	1.255	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)NC2CCCC2)cc1[N+](=O)[O-]	744052698	POKIDXFLAIFAKR-UHFFFAOYSA-N	321.337	1.523	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2C[C@H](C)[C@@H](C)[C@H]2C)n1	842167836	XEKDYQCECOHGSO-MVWJERBFSA-N	324.450	1.118	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc([N+](=O)[O-])c1)[C@@H]1CCCNC1	841929844	XIVIDRACHSDFSY-WDEREUQCSA-N	307.354	1.609	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc2c(c1)oc(=O)n2C	844551901	VIJUJDYKRONVLI-XFFZJAGNSA-N	306.343	1.821	50	20	DDGD	
O=C(NNC(=O)c1cccc2c1OCCCO2)NC1CCCC1	845320501	HRYZCVKWJNUHAW-UHFFFAOYSA-N	319.361	1.735	50	20	DDGD	
C[C@H](COCC1CC1)NC(=O)NNC(=O)c1ccccc1F	845576854	SECLQAVJQHBIAT-SNVBAGLBSA-N	309.341	1.585	50	20	DDGD	
COc1ccc(C(=O)Nc2cccc(C=NNC(N)=O)c2)cc1	916247828	HUAOZJVLGCSTNK-UHFFFAOYSA-N	312.329	1.950	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1c(C)nc2sccn12	748260364	ROQQLUMZQMGNSK-JTQLQIEISA-N	310.379	1.206	50	20	DDGD	
COC(=O)[C@]1(C)CCCN(C(=O)[C@@]2(C)C[C@H]2Br)C1	910553446	CNIDRKDBYMCHDF-WQAKAFBOSA-N	318.211	1.962	50	20	DDGD	
COc1ccc(NNC(=O)NCCc2ncc(C)cc2C)nc1	848665334	ULTHKYWELZIVCB-UHFFFAOYSA-N	315.377	1.971	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccc(-n3cncn3)nc2)cc1	748101906	PYVCGIPXDQRPHZ-UHFFFAOYSA-N	305.301	1.291	50	20	DDGD	
CCOc1ccc(C(=O)CCC(=O)NNC(C)=O)cc1OCC	912691794	DGGBVSVCLAOCGF-UHFFFAOYSA-N	322.361	1.614	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1	742577142	LOWFEONSKPSLPQ-UHFFFAOYSA-N	322.365	1.916	50	20	DDGD	
CCNCCCNC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	841917276	JLUNCFQULDTUPI-UHFFFAOYSA-N	322.413	1.088	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1n[nH]c(C)c1[N+](=O)[O-]	747336684	HNPWOUIWUWEIPG-UHFFFAOYSA-N	303.278	1.010	50	20	DDGD	
CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)NN(C)C[C@H](C)O	910165296	JNNUBVCATAVRTE-XHDPSFHLSA-N	317.430	1.414	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1C	843646776	QYLZRWPGXSAXNR-KGLIPLIRSA-N	320.389	1.645	50	20	DDGD	
O=C(NC1CCNCC1)[C@@]12CC[C@@H](C[C@H]1Br)C2	846661669	DVVNRDGOVXCACQ-UFGOTCBOSA-N	301.228	1.808	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)NC1CCCC1)C(=O)N2C	844579118	QWZNCTQODTXMMO-UHFFFAOYSA-N	316.361	1.618	50	20	DDGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(F)c(S(N)(=O)=O)c1	840715726	CUZLQRJBOCAAQG-ISAHRAOESA-N	310.350	1.995	50	20	DDGD	
CC1(NC(=S)NNC(=O)Cn2cnc3ccccc32)CCC1	840704085	QPAZULQTGBWOIY-UHFFFAOYSA-N	317.418	1.474	50	20	DDGD	
CC(F)(F)CCC(=O)NNC(=O)COc1ccc(C#N)cc1	915684688	BQAVXNHLRJAIFB-UHFFFAOYSA-N	311.288	1.520	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)c1ncccn1)CCCO2	841664524	XGYMVBNZYAGUMC-UHFFFAOYSA-N	312.329	1.792	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)NCCc1cccs1	920831519	PBTSGURYOAODSQ-UHFFFAOYSA-N	305.407	1.974	50	20	DDGD	
Cc1ccn(CC(=O)Nc2cccc(NC(=O)NN(C)C)c2)n1	843871609	NWOVXHYNVBTKEJ-UHFFFAOYSA-N	316.365	1.428	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNC(=O)c1cccc2ccccc12	741696453	WEMNSBCZDSCEOG-KRWDZBQOSA-N	321.380	1.698	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)[C@@H]1CCO[C@H]1C)CCO2	842559266	UJCBFPGMGOWTAD-CMPLNLGQSA-N	304.346	1.723	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NC[C@@]1(C)CCCNC1	841970611	NSMFVCJERLSOKF-KRWDZBQOSA-N	318.421	1.258	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)C[C@@H](OC)C2	758056518	MUSVWUOZBXZEQX-YGRLFVJLSA-N	305.378	1.999	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2c(C)noc2C)c(O)c1	756286998	OCODOCNQAUTZOO-UHFFFAOYSA-N	304.306	1.772	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)/C=C\c1cnccc1C	854386909	WQWAJEWSGBMHEK-FPLPWBNLSA-N	321.377	1.340	50	20	DDGD	
C[C@H]1C(=O)CC[C@H](C(=O)NNC(=O)OCC(F)(F)F)C1(C)C	856022691	LEZKTQPLCITVBI-JGVFFNPUSA-N	324.299	1.948	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCCc2c(Cl)cccc21	758126481	JUTQQRGUNSBTBI-UHFFFAOYSA-N	309.753	1.853	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC(O)(CO)CC1	855683138	DGXYDOMNKIHQEH-VIFPVBQESA-N	308.216	1.142	50	20	DDGD	
CCN(CC)C(=O)CNC(=O)NC[C@]1(C)C[C@@H]1Br	856825654	ANESQILOCMFDJG-CABZTGNLSA-N	320.231	1.328	50	20	DDGD	
CC(C)(C)c1n[nH]cc1C=NNC(=O)CNC(=O)c1ccco1	750937645	ZMIABIVPLUHWFX-UHFFFAOYSA-N	317.349	1.180	50	20	DDGD	
CC[C@H](C)NC(=O)COC(=O)/C(C#N)=C\c1ccc(O)cc1	754535696	IFPGYNLXDOQUHJ-LFTLCWSBSA-N	302.330	1.757	50	20	DDGD	
Cc1ccc(S(=O)(=O)NC[C@]2(C)C[C@H]2Br)cn1	856754371	HKOFHYFCVVJTOF-MNOVXSKESA-N	319.224	1.842	50	20	DDGD	
CC1(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)CCCCC1	757740611	CAJGICSKPPJECP-AWEZNQCLSA-N	317.455	1.338	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCCCN1C(=O)CCC1=O	853689291	FPAQWSCOPIYNMJ-UHFFFAOYSA-N	322.340	1.299	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C(C)(C)CNC(C)=O)ccc1C	857264142	OUSHLGJPHIVJQL-UHFFFAOYSA-N	321.377	1.387	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1sccc1C	758387165	HCDBHJBKPMIIEJ-UHFFFAOYSA-N	302.359	1.930	50	20	DDGD	
CC(CCc1ccco1)=NNC(=O)C(=O)Nc1ccccn1	758387953	SOVKXCXNIHDEDS-UHFFFAOYSA-N	300.318	1.738	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@@H]3NCC[C@@H]3C2)C[C@H]1Br	857105323	JNCGUMSTDRMLCG-LSCVPOLPSA-N	316.243	1.553	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2ccc(C)o2)c(N(C)C)n1	757752822	HRLWOBYMJCJOQS-UHFFFAOYSA-N	317.349	1.824	50	20	DDGD	
CC(C)CN1CC[C@H](CNC(=O)NNC(=O)CC(F)(F)F)C1	757302059	DBONCIVWLLSSDF-SNVBAGLBSA-N	324.347	1.247	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNC(=S)Nc1cccc(C)c1	929248396	AKERQTJQZBTKCE-VXGBXAGGSA-N	321.402	1.512	50	20	DDGD	
COC1(C(=O)NNc2nc(-c3cccnc3)no2)CCCC1	754205646	BTMKJXZICGVDFI-UHFFFAOYSA-N	303.322	1.534	50	20	DDGD	
CC(=O)NC[C@H]1CN(C[C@@H](CBr)C2CC2)CCO1	859146106	ROPCBEZNTFDHEA-OLZOCXBDSA-N	319.243	1.244	50	20	DDGD	
OC[C@H](NC[C@@H](CBr)C1CC1)[C@H]1CCCOC1	859328930	WEXBPIMPWOQPGE-XQQFMLRXSA-N	306.244	1.785	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@]2(C(F)(F)F)CCNC2)n1	852800641	PWVOLNBDLAULTK-NSHDSACASA-N	303.288	1.079	50	20	DDGD	
CC[C@](O)(CC(=O)NNC(=O)CC(F)(F)F)c1ccccc1	854997557	NTYXBIMQJQEIMA-ZDUSSCGKSA-N	318.295	1.774	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C#CC(C)C	854194099	RGVFGJNSIYCJII-UHFFFAOYSA-N	304.346	1.271	50	20	DDGD	
COC(=O)CN1CCN(C[C@@H](CBr)C2CC2)CC1	859263424	ZOHVKRPOCXPIKT-GFCCVEGCSA-N	319.243	1.198	50	20	DDGD	
O=C(NN=Cc1cccc(OC2CC2)c1F)C(=O)N1CCCC1	853297440	BMSHOHPTPXKVPY-UHFFFAOYSA-N	319.336	1.439	50	20	DDGD	
C[C@]1(CNC(=O)NCCCCCCN)C[C@H]1Br	857106632	TWNMPNBSDWJLPS-ZYHUDNBSSA-N	306.248	1.978	50	20	DDGD	
CCOC(=O)[C@@H](C)N(CCI)C1CC1	759557544	KPYRIPLWSCMSCM-MRVPVSSYSA-N	311.163	1.837	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@@H]1C[C@H]1c1cccnc1	855092895	SJFZRLZEBSQRRL-QWHCGFSZSA-N	304.419	1.481	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCCOC(C)(C)C	852086274	OPANVDPJYLMYKN-UHFFFAOYSA-N	323.393	1.844	50	20	DDGD	
C[C@@H](C(=O)NNc1ncccn1)c1ccc(S(C)(=O)=O)cc1	753287816	UOQAKXFKFGIEQL-SNVBAGLBSA-N	320.374	1.127	50	20	DDGD	
COc1ccncc1CNS(=O)(=O)CC(C)(C)CCl	867302730	UFIWPOHEMBNTBX-UHFFFAOYSA-N	306.815	1.775	50	20	DDGD	
CC(C)(CC(=O)NNC(=O)c1ncccn1)c1ccc(F)cc1	868894325	OZDIUUFLHMSUCS-UHFFFAOYSA-N	316.336	1.745	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNC(=O)CNc1ccc(OC)cc1	863853402	GOZKFKLQNVPCLF-CQSZACIVSA-N	323.393	1.460	50	20	DDGD	
C[C@@H](NNC(=O)CCn1cnc2ccccc21)C(F)(F)F	862305476	OLJICMHALUVOJA-SECBINFHSA-N	300.284	1.998	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cnn(CC3CC3)c2)n1	866293978	IOICUCOYKGPSJM-UHFFFAOYSA-N	302.338	1.157	50	20	DDGD	
CCS(=O)(=O)CCNC(=O)NNc1cccc(F)c1Cl	860586205	ZFBDMLQQWVIISJ-UHFFFAOYSA-N	323.777	1.540	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccc(F)c1	864430325	UENSAVAKOKLTAB-YPMHNXCESA-N	323.324	1.122	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)C1SCCS1	761157538	JCKBDKMBCTVNJO-UHFFFAOYSA-N	308.388	1.986	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCC(=O)NCC1CC1	768389302	CMGWXANTRBZXRC-SNVBAGLBSA-N	305.216	1.438	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnn(CCCC)c1CC	760166794	OHBWTXUVYRWIBR-UHFFFAOYSA-N	309.414	1.990	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21)OCC(F)(F)F	862215147	DRIVDVBWRLVRGG-HBNTYKKESA-N	314.263	1.892	50	20	DDGD	
C#CCN(CC(=O)NN[C@H](C)C(F)(F)F)C(=O)OC(C)(C)C	862321704	CHKQTFSRWPXWGJ-SECBINFHSA-N	323.315	1.428	50	20	DDGD	
CCC(C#N)(CC)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	862205006	WKBGUKQAEUAQNC-UHFFFAOYSA-N	324.425	1.406	50	20	DDGD	
C[C@@H]1[C@@H](C)[S@](=O)CCN1S(=O)(=O)CC(C)(C)CCl	866818224	UIQWNFCPUJGPPM-VHCOLVSPSA-N	315.888	1.423	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NNc1cccc(C#N)c1	766277542	UOGIRZDHGNPYCE-OLZOCXBDSA-N	301.350	1.099	50	20	DDGD	
C[C@H](NNC(=O)C1CCC(NC(=O)C2CC2)CC1)C(F)(F)F	862316750	GMMQZWLXQHNTRH-PUSIOWJLSA-N	321.343	1.643	50	20	DDGD	
COC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	762781086	ALEVLUAQEOGIOG-IUIMMGEKSA-N	301.302	1.217	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2ccc(N3CCCCC3)s2)N1	863145054	FKXSUSCECRVPPA-GFCCVEGCSA-N	320.418	1.467	50	20	DDGD	
COC(=O)[C@]1(F)CCN(C(=O)[C@@H](Br)C(C)(C)C)C1	768219040	VAUYVCRRQWAPGS-PELKAZGASA-N	324.190	1.910	50	20	DDGD	
COc1ccc(C(C)(C)C)cc1NC(=O)C(=O)NNC(C)=O	763517225	SMUDKCCWYVGISB-UHFFFAOYSA-N	307.350	1.099	50	20	DDGD	
CCCC[C@@](C)(F)C(=O)NNC(=O)C(=O)NC(CC)CC	1118627041	QZAFFUFBEAWWOK-CQSZACIVSA-N	303.378	1.357	50	20	DDGD	
COc1ccc(OCC(=O)NN=C2CCN3CCC[C@@H]23)cc1	765558305	XMRPLEOMFMWUFR-HNNXBMFYSA-N	303.362	1.414	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccnn1-c1cc(C)ccn1	879280964	HWKWCUCKDSZCAU-UHFFFAOYSA-N	304.354	1.190	50	20	DDGD	
CCCNC(=O)CCNC(=O)NNc1ncnc2ccsc12	765683694	GGOWPHJLVBKTIY-UHFFFAOYSA-N	322.394	1.234	50	20	DDGD	
CC[C@@H](c1ccncc1)N(C)CC(=O)NNC(=O)C(C)(C)C	769938030	XCLYUONLXDRQRJ-ZDUSSCGKSA-N	306.410	1.658	50	20	DDGD	
CCOC(=O)C1(C)CC(=NNC(=O)c2ccnc(N(C)C)c2)C1	872349696	FCBMSWJXVRGBSL-UHFFFAOYSA-N	318.377	1.597	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1CNC(=O)NNC(=O)c1ccc(C#N)cc1	774696801	FVKGMCZFDLSUPZ-ZIAGYGMSSA-N	316.361	1.317	50	20	DDGD	
CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)NNC(=O)C(C)C	775776584	DGOKEHDZMNTFOZ-GXFFZTMASA-N	311.357	1.888	50	20	DDGD	
C[C@H](NC(=O)NNc1c(F)cccc1F)[C@@H]1CN(C)CCO1	770436035	TWIFVDWSRCSHME-CABZTGNLSA-N	314.336	1.310	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)NCCc2cccs2)o1	772147004	XHMCMNXNJAZUDX-UHFFFAOYSA-N	321.358	1.730	50	20	DDGD	
Cc1cc2occ(C(=O)NNc3nccn(C)c3=O)c2cc1C	771736280	IDCBRCHDJBVWIG-UHFFFAOYSA-N	312.329	1.900	50	20	DDGD	
O=C(CNC(=O)C1CC1)NNc1ccccc1OC(F)(F)F	779207208	MXLSLVORLPHMLZ-UHFFFAOYSA-N	317.267	1.555	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)c1ccc[n+]([O-])c1	771538347	YBTMFAOQFOHDCK-UHFFFAOYSA-N	309.123	1.234	50	20	DDGD	
O=C(CN1CSCC1=O)NNc1cc(Cl)ccc1F	871272573	USQFVFJUMBWMCU-UHFFFAOYSA-N	303.746	1.455	50	20	DDGD	
Cc1cccc(NNC(=O)NC[C@H](c2ccco2)N(C)C)n1	874995875	VSVLVNMEKKKQAS-GFCCVEGCSA-N	303.366	1.912	50	20	DDGD	
CC[C@H](NNC(=O)c1cnccn1)C(=O)Nc1ccc(C)cc1	871872340	SPJHXMIMEPQCLD-ZDUSSCGKSA-N	313.361	1.437	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNc1ccc(Cl)nn1	878886262	DRYXSLPDEFKMPU-JMCQJSRRSA-N	306.757	1.662	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1ccc(F)cn1	770592284	RXRCCUJDLGQCKZ-NSHDSACASA-N	308.357	1.029	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)Cc1cn2ccccc2n1	770604553	AFVBNAQBKCWPOG-UHFFFAOYSA-N	310.361	1.323	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCCC1OCCCO1	777106619	VVSDVEKAVANSSS-JLHYYAGUSA-N	303.314	1.995	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CN(C)C)nn1C1CCCCC1	776475859	XJKAOAXWENAXGO-UHFFFAOYSA-N	307.398	1.019	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(C)(C)c1ccc(OC)cc1	887145893	WFUKNQDRSFRAMQ-UHFFFAOYSA-N	302.374	1.924	50	20	DDGD	
CCCS(=O)(=O)CC(=O)OC[C@@H](C)CBr	770345956	IUKAYRGRJUQWLH-QMMMGPOBSA-N	301.202	1.385	50	20	DDGD	
CN(CCCF)C(=O)NNC(=O)Cn1ccc2ccccc21	884131578	PNPCWFHHENEZIA-UHFFFAOYSA-N	306.341	1.674	50	20	DDGD	
N#Cc1ccc(NNC(=O)NCCC[C@@H]2CCCCO2)nc1	888812058	YHTFWEXOORBZAT-ZDUSSCGKSA-N	303.366	1.929	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)CCCCl)C[C@H](C(F)(F)F)O1	881959868	DIPMGGFQRMGNHZ-HTQZYQBOSA-N	309.737	1.597	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@@H]1C[C@H]1c1ccc(F)cc1	883613656	KEDOYQGUXKLAFG-UONOGXRCSA-N	321.352	1.439	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)C(=O)NNc2cccnn2)c1	784862930	OUKFDWDWJUYYMI-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
O=C(CCOC1CCOCC1)NNc1cc(F)ccc1F	885145053	QBMRBVITFVENAJ-UHFFFAOYSA-N	300.305	1.994	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cnn(C)c1Cc1ccccc1	887148323	XHTFKZNFCBRJFO-UHFFFAOYSA-N	324.384	1.575	50	20	DDGD	
CCS(=O)(=O)c1ccccc1C(=O)NN=c1cc[nH]cc1	781020529	YSBUBPNERSMTSF-UHFFFAOYSA-N	305.359	1.054	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)Cc2ccccc2F)nc1	789937418	NHWLCAURRNUZQC-UHFFFAOYSA-N	317.320	1.162	50	20	DDGD	
Cc1c[nH]cc(C(=O)NNC(=O)Cn2ccc3ccccc32)c1=O	781426022	KLCGBFGIWDBMHN-UHFFFAOYSA-N	324.340	1.099	50	20	DDGD	
Cc1nc(C(=O)NNc2nnc(-c3ccccn3)s2)no1	788082237	RJYJQYNPBBVSBU-UHFFFAOYSA-N	303.307	1.048	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@H]1C[C@@H]1C1CCCCC1	883459494	ZGSICAFSFYRNHN-KGLIPLIRSA-N	309.410	1.712	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cc(F)cc2nccnc12	781816038	ZWLFZJBIQLEQLS-UHFFFAOYSA-N	318.699	1.969	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCC[C@@H](C2(C)OCCO2)C1	784308858	OHDKAFRAOQMORI-LLVKDONJSA-N	313.398	1.248	50	20	DDGD	
CC[C@H](C(=O)NNc1nc2ccccc2c(=O)n1CC)[C@@H](C)O	789952548	CIVJQPRNZWXVCX-MNOVXSKESA-N	318.377	1.267	50	20	DDGD	
CCOc1ccccc1NC(=O)C(=O)NNc1ccc(C)nn1	783949114	FGMJKCKLTSWOQN-UHFFFAOYSA-N	315.333	1.266	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](C)OC[C@H]2CCCO2)c1	780796955	OVXVXOCYKXRYER-BXUZGUMPSA-N	322.361	1.500	50	20	DDGD	
CCc1ccc(Br)cc1C(=O)NNc1cnnn1C	899142866	DXKPHHLYOGSGPV-UHFFFAOYSA-N	324.182	1.897	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1cccc(C(F)F)c1	780376630	YDVUQPBSHVFMLU-UHFFFAOYSA-N	306.334	1.980	50	20	DDGD	
CCCNC(=O)NN=CC(C)(C)N1C(=O)c2ccccc2C1=O	782214896	OETHCTIVMYDUCY-UHFFFAOYSA-N	316.361	1.756	50	20	DDGD	
N#C/C(=C/c1ccccc1)C(=O)OCCCN1CCOC1=O	785378556	KBXFDVCKMOAPCL-KAMYIIQDSA-N	300.314	1.979	50	20	DDGD	
CCN(CC)C[C@@H](C)NC(=O)NNc1ncncc1Cl	781002025	XBAHTRWWCXPAQT-SECBINFHSA-N	300.794	1.486	50	20	DDGD	
CC(=O)Nc1cccc(C(=O)NNC(=O)NCC2CC2)c1C	785409964	NDRSHBRUEDZCDR-UHFFFAOYSA-N	304.350	1.307	50	20	DDGD	
O=C1NCCC[C@H]1C(=O)NNc1ccc(-c2ccccc2)nn1	896904948	ZDEMCGYEHURHSD-GFCCVEGCSA-N	311.345	1.113	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1CCCc2nn(C)cc21	794488021	AGQWKZJMZGSIFC-UHFFFAOYSA-N	304.379	1.238	50	20	DDGD	
COc1ccc(/C=C(/C#N)S(N)(=O)=O)c(Br)c1	794714597	SXLABLOXNJZJQP-WTKPLQERSA-N	317.164	1.611	50	20	DDGD	
C=C(CBr)COC(=O)[C@H]1CC(=O)N(CC(C)C)C1	795424708	HYYHFOLMCARGDR-NSHDSACASA-N	318.211	1.985	50	20	DDGD	
Cc1cccc(C(=O)NNS(=O)(=O)c2ccccc2C)n1	794600134	ZYHZVNYZUZLWRX-UHFFFAOYSA-N	305.359	1.322	50	20	DDGD	
COCc1ncc(C(=O)NNC(=O)CCc2ccccc2)s1	795910711	DXYNYEXCYNTJTA-UHFFFAOYSA-N	319.386	1.683	50	20	DDGD	
Cn1cc2c(n1)CCCC2=NNC(=O)COc1ccccc1C#N	794476379	KOGUVFCJTILZPS-UHFFFAOYSA-N	323.356	1.527	50	20	DDGD	
CCCCSCCC(=O)NNC(=O)NCC(F)(F)F	798313476	HMQIOXXUQSVNNF-UHFFFAOYSA-N	301.334	1.803	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCCC[C@H]2N2CCCCC2)CC1	790175483	ZPXKKZAILVGBKI-MRXNPFEDSA-N	321.469	1.728	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@@H]1CCC[C@H](OC)C1	796057420	UAJNYFOIVOCZIN-TUAOUCFPSA-N	314.382	1.071	50	20	DDGD	
Cc1nc2cc(F)c(F)cc2n1CC(=O)NNc1cnccn1	793852794	YJZVOBMRCQZDCL-UHFFFAOYSA-N	318.287	1.556	50	20	DDGD	
N#C/C(=C/c1cc(O)ccc1Br)S(N)(=O)=O	799894054	MOGBKMYGZDPHMA-YWEYNIOJSA-N	303.137	1.308	50	20	DDGD	
CCN(C)c1ccc(C=NNC(=O)Cc2cc(C)[nH]n2)cn1	790155137	DQSBJVUATVXSRH-UHFFFAOYSA-N	300.366	1.262	50	20	DDGD	
CCOC(=O)[C@H](NNC(=O)COC)c1cccc(Cl)c1	790534536	QJOCHAQFAGYJBY-GFCCVEGCSA-N	300.742	1.211	50	20	DDGD	
CN(C)c1cc(C(=O)NN=C2CCCc3nn(C)cc32)ccn1	794510537	RJIPAFKRJKNZLF-UHFFFAOYSA-N	312.377	1.352	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@@](C)(NS(=O)(=O)CCl)C1	851900872	IEUJQZZDCLSYAA-LLVKDONJSA-N	312.819	1.502	50	20	DDGD	
CS[C@@H]1CN(S(=O)(=O)CCCCCl)C[C@H]1N(C)C	780823773	USDSSHQUKGWSJF-GHMZBOCLSA-N	314.904	1.313	50	20	DDGD	
COc1cccc2cc(C=NNC(=O)C[n+]3ccccc3)oc12	1317699577	WDFMTOBGVLGPTE-UHFFFAOYSA-O	310.333	1.879	50	20	DDGD	
C=C[C@H](COC)NC(=O)NNc1cccc(C(=O)OC)c1F	1324995952	ZOUUXOJPKDGZHD-SECBINFHSA-N	311.313	1.439	50	20	DDGD	
O=C(NNc1cccnn1)c1nn(-c2cccc(F)c2)cc1O	1321917277	ZAOQEYUNWQEZFT-UHFFFAOYSA-N	314.280	1.264	50	20	DDGD	
C=CCCSCCNC(=O)NNc1nncc(N)c1Cl	1327899580	ZNPNUTUIWCGPAR-UHFFFAOYSA-N	316.818	1.648	50	20	DDGD	
CC(=O)c1cn(CC(=O)NNc2c(C)cc(C)cc2C)nn1	1325165894	QDRCRJWPPVHVJC-UHFFFAOYSA-N	301.350	1.549	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H](O)c1ccc(Cl)cc1F	1326048621	OEOVDTRKJAQART-JTQLQIEISA-N	319.789	1.416	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)Nc1cccnc1	1322618213	XFZVKQLAHRBMCE-UHFFFAOYSA-N	300.322	1.150	50	20	DDGD	
Cn1ccc(NNC(=O)c2cc(Cl)c3c(c2)OCCCO3)n1	1325744988	DPACZSFFBUTXDG-UHFFFAOYSA-N	322.752	1.992	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNc1cncc(Br)c1	1254057351	OTINQXKWXHWWSP-UHFFFAOYSA-N	324.182	1.897	50	20	DDGD	
CC(Cc1ccccc1Cl)=NNC(=O)CS(C)(=O)=O	1330142478	KROPRYDAVWNBJD-UHFFFAOYSA-N	302.783	1.419	50	20	DDGD	
CC1=NO[C@@](C)(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)C1	1337273922	FCQIUXPVZNUFJH-OAHLLOKOSA-N	300.318	1.526	50	20	DDGD	
C[C@]1(COC(=O)C[C@@H]2CCCC(=O)N2)C[C@@H]1Br	1345265080	IRFXYRAILSGHML-HOTUBEGUSA-N	304.184	1.762	50	20	DDGD	
CCCNC(=O)[C@@H](C)NC(=O)NNc1ccc(C(C)(C)C)nn1	1342016635	ASVNFJDNYKNIEH-SNVBAGLBSA-N	322.413	1.315	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CC[C@H](OC)C2)c1C	1347283198	MWJPOAPPXPXMGZ-RYUDHWBXSA-N	321.377	1.975	50	20	DDGD	
COc1ccc(NNC(=O)NCCN2CCC(C)(C)C2)nc1	1342591079	NIOZYLLGWTVKDH-UHFFFAOYSA-N	307.398	1.448	50	20	DDGD	
C[C@H](NNC(=O)c1cc(C(F)(F)F)n(C)n1)C(F)(F)F	1352452119	KNBPIIJPVCQXGT-BYPYZUCNSA-N	304.194	1.624	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@H]1CCCCN1Cc1cccc(F)c1	1519248867	IZCYMISLPOQUJW-CQSZACIVSA-N	322.384	1.483	50	20	DDGD	
NC(=O)Nc1ccc(C(=O)NNc2ccc(C(=O)O)cn2)cc1	1601155567	BDWITBQLJZEYEK-UHFFFAOYSA-N	315.289	1.027	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)COCC(=O)O	1600072671	ZJMIEGWTVAIXEG-UHFFFAOYSA-N	317.139	1.302	50	20	DDGD	
Cc1cc(CNC(=O)NNc2ccc(CC(=O)O)cc2)ccn1	1600199988	CQCRETYDUVZTRU-UHFFFAOYSA-N	314.345	1.843	50	20	DDGD	
COCC[C@@H]1CCCC1=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549320653	NAANUKDEEWSIDW-GZBFAFLISA-N	309.410	1.158	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1cc(F)ccc1F	1549317653	XGJREOVIKWGLQB-SWLSCSKDSA-N	323.343	1.668	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H]2CCCO[C@H]2c2nccn2C)no1	1549316062	NOEAIBHFINFZHL-QWHCGFSZSA-N	317.349	1.335	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)NC[C@]1(C)CNCCO1	1579604274	DXZIAVBIKPJLGQ-AWEZNQCLSA-N	312.801	1.653	50	20	DDGD	
C[C@]1(C(=O)NCc2ccc(CCN)cc2)C[C@@H]1Br	1576350474	PGEPLNQHZCCQQY-JSGCOSHPSA-N	311.223	1.978	50	20	DDGD	
NCc1cc(C(=O)NNc2cccc(Br)n2)co1	1580335271	KPNMUXWOZQGPBR-UHFFFAOYSA-N	311.139	1.653	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1589116330	NVKKPEFHVGUDRH-UHFFFAOYSA-N	302.338	1.064	50	20	DDGD	
CCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl	1847563356	NQAMUGKCBLVXBN-SRVKXCTJSA-N	316.829	1.224	50	20	DDGD	
CO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)CCl	1847437944	ZXKFYXMQHKNAKT-WOPDTQHZSA-N	316.829	1.488	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2cccc(C(=O)O)c2F)CCN1C	1599934231	OCEYDMJSLOLUAY-UWVGGRQHSA-N	309.341	1.697	50	20	DDGD	
C[C@@]1(C(=O)O)CCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)C1	1593784247	IMEPCQLGWGZRPL-OQRGYWNNSA-N	300.314	1.622	50	20	DDGD	
CC[C@H](C)CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	1590404703	XFOQZGJGXXGXJD-ZETCQYMHSA-N	309.761	1.794	50	20	DDGD	
C[C@@H](Oc1cccnc1)C(=O)NNc1ccc(C(=O)O)c(F)c1	1593656122	RHMZCIFEAFKKSH-SECBINFHSA-N	319.292	1.830	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NN=Cc1ccc(C(=O)O)c(O)c1	1776098747	WNSKNMXOGANZPC-LBPRGKRZSA-N	319.361	1.413	50	20	DDGD	
Cn1ncc(C(=O)O)c1/C=C(\C#N)C(=O)Nc1ccccc1F	1776116246	VFJPBCQMKFHRGT-RMKNXTFCSA-N	314.276	1.803	50	20	DDGD	
O=C(O)c1cc(F)c(C=NNC(=O)N2CCOCC2)c(F)c1	1776039880	QWFYLXLZBCMMRM-UHFFFAOYSA-N	313.260	1.039	50	20	DDGD	
C/C=C/C(=O)N1CC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2	1783064519	KCMCFBGXHVIVBS-IBUXWKBASA-N	321.204	1.196	50	20	DDGD	
COC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl	1796804715	OYSJIKJJAKIVLR-SVNGYHJRSA-N	320.792	1.442	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCCCO1	161280921	CYIHYFXVXPVQAK-MFKMUULPSA-N	310.325	1.310	50	20	DDGD	
CO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)Cc1ccccc1F	155745251	IBPJEGZBYCMVSZ-CHWSQXEVSA-N	309.341	1.266	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1cccc(OC(F)F)c1	156258664	BINPAIZTWBNQCN-UHFFFAOYSA-N	320.259	1.711	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H](C)OC[C@@H]2CCCO2)c1	155798046	YKBKKZSVDUAWIN-GWCFXTLKSA-N	312.341	1.862	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)c2ccc(CCCl)cc2)CC[C@H]1O	253188893	LKZNPEYGIBMJCR-SMDDNHRTSA-N	317.838	1.859	50	20	DDGD	
O=S(=O)(CBr)N(CCCO)Cc1ccccc1	272863659	YCKJIHVXJFPLQJ-UHFFFAOYSA-N	322.224	1.553	50	20	DDGD	
O=C(CNS(=O)(=O)c1ccc(CCl)cc1)N1CCCC1	312254697	CZYJDWUQEQNUAP-UHFFFAOYSA-N	316.810	1.326	50	20	DDGD	
N#CCOc1cccc(CNC(=O)NNC(=O)c2ccccc2)c1	113371547	DNWARELETRRRTF-UHFFFAOYSA-N	324.340	1.733	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ncoc2C)c(C)c1	104833866	RJBYHLVOJMCPLI-UHFFFAOYSA-N	302.334	1.473	50	20	DDGD	
N#Cc1cccc(C(=O)NNS(=O)(=O)c2ccc(F)cc2)c1	103425534	LHLQLORNPGUBAO-UHFFFAOYSA-N	319.317	1.321	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(N2CCOC2=O)cc1	68266349	QTUCGPNSVMAMFE-UHFFFAOYSA-N	320.349	1.387	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccc3c(c2)CCO3)c1	103402299	PCCJDRQBYUBXJP-UHFFFAOYSA-N	307.309	1.568	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCc2cccc(F)c2)c1	103509350	VRWOGKAWQGNYMT-UHFFFAOYSA-N	312.304	1.842	50	20	DDGD	
COc1cc(C(=O)NNC(=O)NCC(F)(F)F)ccc1C	60415160	YYJRYPWEAATUCW-UHFFFAOYSA-N	305.256	1.510	50	20	DDGD	
Cc1cccc([C@@H](CC(=O)NNc2cnccn2)NC(N)=O)c1	114882220	JBENJNWZMPNRHJ-GFCCVEGCSA-N	314.349	1.028	50	20	DDGD	
CCCc1[nH]ncc1C(=O)NNC(=O)c1ccc(CC)cc1	119239600	YRIHXZQFNDSJLN-UHFFFAOYSA-N	300.362	1.999	50	20	DDGD	
Cc1c(C(=O)NNC(=O)Cc2cccnc2)cnn1CC(C)C	119581475	BKJMPMSRGDFEIO-UHFFFAOYSA-N	315.377	1.246	50	20	DDGD	
O=C(CN1CCCc2cc(F)cc(F)c21)NNC(=O)C1CC1	112976825	RONZQYQKLPBMGM-UHFFFAOYSA-N	309.316	1.275	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cccnc1Cl	67435539	JGNICPKJXTYMDX-UHFFFAOYSA-N	305.721	1.818	50	20	DDGD	
O=C(CCC(F)(F)F)NNC(=O)COc1ccc(F)cc1	173069704	CKIZIILEGONIAF-UHFFFAOYSA-N	308.231	1.694	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCN(C(C)C)CC1	114167861	TWOXUZIYWCXUSA-UHFFFAOYSA-N	312.845	1.905	50	20	DDGD	
CCCNC(=O)CCC(=O)NNC(=O)CCCc1ccccc1	110698278	RAUGGVCXWNNZBI-UHFFFAOYSA-N	319.405	1.463	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)Nc2c(F)cccc2F)cc1	119708056	ZECVEUNJKYLTBB-UHFFFAOYSA-N	316.267	1.918	50	20	DDGD	
CC(C)NC(=O)NNC(=O)C1(c2cccc(F)c2)CCOCC1	63265386	NECMZRIRYWQOLU-UHFFFAOYSA-N	323.368	1.613	50	20	DDGD	
C#CCCCNC(=O)NNC(=O)NCc1ccc(Cl)cc1	174115728	CDRYEXFGYLPJFC-UHFFFAOYSA-N	308.769	1.767	50	20	DDGD	
CN(C)N(C(=O)C1CCCCCCC1)[C@H]1CCS(=O)(=O)C1	172723223	SSLZEBWPPIYOQR-AWEZNQCLSA-N	316.467	1.839	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(C=O)[nH]1	174963765	VITOXJDLQCUSOB-VIFPVBQESA-N	319.292	1.195	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cc(C(C)C)[nH]n1	67439519	YHLCUBIFPBTNGL-UHFFFAOYSA-N	302.334	1.617	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C2(O)CCCC2)c1	127891376	QVADHSREXSLYOX-UHFFFAOYSA-N	306.362	1.135	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)C[C@@H](C)C1CC1	68009410	GNSPGSDDWZFEAL-SNVBAGLBSA-N	300.362	1.840	50	20	DDGD	
Cc1cc(NNC(=O)CNC(=O)CCC2CCCC2)ncn1	172283986	MRQOPPHMBDEUJV-UHFFFAOYSA-N	305.382	1.315	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Cn1cnc(-c2ccccc2)n1	122543819	HEYHESGGGKFXSM-UHFFFAOYSA-N	301.350	1.139	50	20	DDGD	
CNC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1	126691792	OXJOSPVNUHDGQW-VHSXEESVSA-N	312.167	1.513	50	20	DDGD	
C[S@@](=O)c1ccc(NC(=O)NNC(=O)c2cccnc2)cc1	186162946	YOJUGAGMYKBFFE-JOCHJYFZSA-N	318.358	1.286	50	20	DDGD	
Cn1cc(NC(=O)C(=O)NNc2ccc(C(C)(C)C)cc2)cn1	181446972	XUSIEELUZFMRGU-UHFFFAOYSA-N	315.377	1.799	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(CC(=O)N(C)C)cc1	127471735	ZUGYYJSAGWCZDI-ACCUITESSA-N	301.346	1.700	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2sc(C)nc2C)cc1	125090539	VBMQXWVSZRJGPP-UHFFFAOYSA-N	318.402	1.941	50	20	DDGD	
CC[C@H]1[C@H](C)CCN1CC(=O)NNC(=O)Cc1nc(C)cs1	185584321	KNOZDRAERKJMDP-PWSUYJOCSA-N	324.450	1.262	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(CC(=O)N(C)C)cc1	30831693	ZUGYYJSAGWCZDI-QBFSEMIESA-N	301.346	1.700	50	20	DDGD	
CN1C(=O)CCc2cc(C(=O)NNC(=O)CC(C)(C)C)ccc21	121448796	SFJCPNAUZHBRPF-UHFFFAOYSA-N	317.389	1.793	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2ccc(F)cn2)cc1	122866064	VYFMJUXEMIMLFZ-UHFFFAOYSA-N	318.308	1.761	50	20	DDGD	
CC(=O)Nc1cccc(C(=O)NNC(=O)c2cc(C)n[nH]2)c1C	188683858	YGNIIXIWKMXBJD-UHFFFAOYSA-N	315.333	1.060	50	20	DDGD	
C[C@H](CCC(=O)NNC(=O)Cc1cc[nH]n1)c1ccccc1	186084326	XHUIIYDKDJTIDZ-GFCCVEGCSA-N	300.362	1.684	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1c(F)cc(F)cc1F	124779332	FNHMIAUKFNTDHM-LURJTMIESA-N	317.267	1.236	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@H](C)OC)c1C	189073567	YGDNCQQTJSCTHL-WFSQQTBHSA-N	319.405	1.809	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CC1CCC2(CC1)OCCO2	188177286	APSPIYMYJJQZCF-UHFFFAOYSA-N	321.377	1.110	50	20	DDGD	
CCOC(=O)NCC(=O)NNc1ccc(C(F)(F)F)cn1	186307382	ZLOQOLYFCHCVIK-UHFFFAOYSA-N	306.244	1.290	50	20	DDGD	
CS(=O)(=O)Nc1ccccc1C(=O)NNc1ccncc1	180506123	OJGWONDSYLCMBP-UHFFFAOYSA-N	306.347	1.210	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCc2ccco2)c1	73117837	STDOMHGIVFUUTH-UHFFFAOYSA-N	302.334	1.490	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCC(=O)N1CCCC1	181981527	PNZJSPTVSWYOPZ-UKTHLTGXSA-N	301.321	1.471	50	20	DDGD	
COc1ccnc(NNC(=O)Cc2ccc(C)c(OC)c2)n1	46364575	NDUFGMHWFBTTAY-UHFFFAOYSA-N	302.334	1.488	50	20	DDGD	
COc1nccnc1NNC(=O)c1cncn1-c1ccccc1	131755936	HDXWHTZURGPGSB-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
COc1ccnc(C(=O)NNc2ncnc3ccsc23)c1	132756012	YPTWSOCCVGVDOL-UHFFFAOYSA-N	301.331	1.852	50	20	DDGD	
O=C(Cc1ccc(O)cc1)NNC(=O)NCCc1cccs1	134963804	BDDHZYMXTZOSCZ-UHFFFAOYSA-N	319.386	1.569	50	20	DDGD	
CC[C@@]1(C)CN(CC(=O)NNC(=O)c2cccs2)CCO1	135629168	XRMXGFMBEJMEPN-AWEZNQCLSA-N	311.407	1.010	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCc1ccc(OC(F)F)cc1	192922852	JRVUGJJGJNFZHM-UHFFFAOYSA-N	316.304	1.139	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)c1ccc[nH]1)c1ccccc1	193168239	DGZCBMQBQNZAMN-ZDUSSCGKSA-N	302.334	1.346	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cc(C#N)ccc2C)nc(C)n1	130453213	PPPABEGPZXGDQA-UHFFFAOYSA-N	324.344	1.355	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1ccc([N+](=O)[O-])cc1)C1CCCC1	134161926	RZDQQSNSDHGFNV-CQSZACIVSA-N	320.349	1.733	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)c2ccc[nH]2)cc1F	194205578	RPSUVVKYVAYLAA-UHFFFAOYSA-N	306.297	1.307	50	20	DDGD	
O=C(Cc1n[nH]c2ccccc12)NNc1nc2ccccn2n1	191884748	HJEWZFDIMMTHJA-UHFFFAOYSA-N	307.317	1.291	50	20	DDGD	
COC(=O)Cn1ncc(NS(=O)(=O)CCCCCl)c1C	194610376	AGDNZRZXIMZNAN-UHFFFAOYSA-N	323.802	1.125	50	20	DDGD	
C[C@@H](Oc1cccc2ccccc12)C(=O)NNC(=O)N(C)C	192463627	KCBFJOIQYKZNDB-LLVKDONJSA-N	301.346	1.910	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)NC1CCN(CC2CC2)CC1	193772367	DNHLQQTZIAMSOM-UHFFFAOYSA-N	324.816	1.631	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@H]2CCN(C)C2)cc(C#N)n1C	264671717	LVZROJQLANPXSV-WXYNBALXSA-N	311.389	1.180	50	20	DDGD	
CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)N1CCOCC1	267290195	ZGUDZMYBXSTRFS-CQSZACIVSA-N	321.377	1.225	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NNC(=O)c2ccccc2C)C1	263679807	KEPUDOPJLXDVNB-ZDUSSCGKSA-N	303.362	1.015	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc2c(s1)CCCC2	269372958	YUACXFSIBBDAHI-LLVKDONJSA-N	308.403	1.957	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1	367666609	VDMJZFOTSNWELF-CYBMUJFWSA-N	319.361	1.215	50	20	DDGD	
C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CC=C(C#N)CC1	272592138	GBISRJBSNDQRBC-JSGCOSHPSA-N	304.394	1.547	50	20	DDGD	
CC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CC2CC2)cc1C	274039384	FRFHHESFIRCYIC-UHFFFAOYSA-N	317.345	1.084	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C[C@](C)(O)C1CC1)c1ccccc1	270070875	RTACQTXAFQOIGS-YOEHRIQHSA-N	304.390	1.879	50	20	DDGD	
CN(CC(=O)N1CC=C(C#N)CC1)c1ccccc1[N+](=O)[O-]	272661803	HTOGDLSFKBCHSO-UHFFFAOYSA-N	300.318	1.713	50	20	DDGD	
Cn1c(=O)oc2cc(NC(=O)NNC(=O)C3CCC3)ccc21	272809190	JBIQVDBRMJPDJT-UHFFFAOYSA-N	304.306	1.084	50	20	DDGD	
CCOc1ncccc1NC(=O)C(=O)NNC(=O)CC(C)(C)C	274067802	NIWNGZYGYJOAKD-UHFFFAOYSA-N	322.365	1.002	50	20	DDGD	
COc1cccc(NNC(=O)c2c(C)nn(CCCl)c2C)n1	272588094	ZNTVQFMNGXLQRS-UHFFFAOYSA-N	323.784	1.899	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccccc1OC(C)(C)C	274259468	WLVJIHWGUABPGH-UHFFFAOYSA-N	309.322	1.190	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)Nc1cccnc1	272967623	QLOAKNKFZFTIEI-SECBINFHSA-N	323.353	1.148	50	20	DDGD	
COC(=O)CCCC(=O)NNC(=O)C(C)(C)c1ccccc1	274088433	MUHHRNPHJAKORM-UHFFFAOYSA-N	306.362	1.455	50	20	DDGD	
CC(=O)N1CC(C(=O)NNc2ccnc3cc(Cl)ccc23)C1	276636466	QDSVDOSLIMMEQD-UHFFFAOYSA-N	318.764	1.810	50	20	DDGD	
O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)NNc1ccc(Cl)nc1	272810912	NHKPMIDOYXIVBK-VIFPVBQESA-N	323.784	1.372	50	20	DDGD	
Cc1cn(-c2ccccc2)nc1C(=O)NNC(=O)NC(C)C	274842165	ULWGULZDTSRVSM-UHFFFAOYSA-N	301.350	1.533	50	20	DDGD	
CSCC[C@H](O)C(=O)NNC(=O)Nc1cccc(Cl)c1	283775692	QHLYGDNDNADMFO-JTQLQIEISA-N	317.798	1.607	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)Cc1ccccc1F	280493843	KIESMMHIYSNFRA-WDEREUQCSA-N	306.337	1.521	50	20	DDGD	
O=S(=O)(CBr)N1CCOCc2ccccc21	280132761	BHHPLIDOUOSQIR-UHFFFAOYSA-N	306.181	1.705	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCc1noc2c1CCCC2	288861156	PKCJYKAXZSCCHQ-UHFFFAOYSA-N	310.354	1.792	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCc1cnccn1)c1ccccc1	280650679	ZIXYNCJGMMVIEJ-HNNXBMFYSA-N	312.373	1.750	50	20	DDGD	
CCCCS(=O)(=O)/C(C#N)=C/c1ccnn1CCCOC	282925671	HYFJYIXXEUTMGA-SDNWHVSQSA-N	311.407	1.999	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cc3c(s2)CCOC3)n1	370927977	LOWKQJGEZXSIBV-UHFFFAOYSA-N	319.390	1.434	50	20	DDGD	
CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)NNc1cccc(F)n1	287232942	HJOVITQIXXLJPD-NOZJJQNGSA-N	323.372	1.540	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCC[C@H](N(C)C)C2)n1	280139219	DQHUUWJWLAFKDZ-OLZOCXBDSA-N	319.409	1.207	50	20	DDGD	
Cc1ccc2c(c1)nc(CNC(=O)NNC(=O)C1CCC1)n2C	283423760	RTSLVWOGXDPDGJ-UHFFFAOYSA-N	315.377	1.512	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@H](F)C(F)(F)F)c1O	289896989	IWBVZMUXQXLQAM-QMMMGPOBSA-N	310.203	1.062	50	20	DDGD	
COC(=O)N[C@@H](CC(C)C)C(=O)NNc1ncc(F)cc1F	297057577	VWDLSKSETTZCRV-JTQLQIEISA-N	316.308	1.574	50	20	DDGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NNc1cc(C#N)cc(Cl)n1	802970453	AKHHRNORTWBLLB-SDBXPKJASA-N	323.784	1.601	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2ccc(C)o2)n(C)c1C	800813600	CIJLTSPDRFRRHK-UHFFFAOYSA-N	303.318	1.785	50	20	DDGD	
CCc1nc(C)c(CNC(=O)NNC(=O)c2ccccc2)o1	293871872	YEUFEZVXQJIDGJ-UHFFFAOYSA-N	302.334	1.690	50	20	DDGD	
CC[C@H](C)CONC(=O)NNC(=O)COc1ccccc1C#N	291721550	HKVGBSIJOCQEHD-NSHDSACASA-N	320.349	1.245	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1ccc(COCCOC)cc1	292523423	OJLDGKPJTVANSH-DTQAZKPQSA-N	318.373	1.910	50	20	DDGD	
C[C@H]1CC[C@H](C=NNC(=O)Cn2nnc(-c3ccccc3)n2)C1	800805050	NRYCKPUAIUXYPQ-STQMWFEESA-N	312.377	1.878	50	20	DDGD	
CC(=O)C1(C(=O)NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)CC1	295241099	DXUCVIOVWZNBID-SECBINFHSA-N	324.764	1.624	50	20	DDGD	
COCCN(C)NC(=O)c1cc(Cl)nc(N2CCCC2)c1	293527204	DOCAPKADLBZQJJ-UHFFFAOYSA-N	312.801	1.558	50	20	DDGD	
CN(CC(=O)NNc1nccnc1C1CCC1)[C@H]1CCSC1	805465326	IJJXDKDBNIVXGE-LBPRGKRZSA-N	321.450	1.625	50	20	DDGD	
CO[C@@H](C)CCNC(=O)NNC(=O)Nc1cc(F)cc(F)c1	296590219	IYJFZNQZHVPBHZ-QMMMGPOBSA-N	316.308	1.726	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCSC1)Nc1ccc2c(c1)OCO2	802098648	VHKACCQGWNUBIC-MRVPVSSYSA-N	309.347	1.321	50	20	DDGD	
COCCN(C)NC(=O)c1cccc(OC[C@@H]2CCCO2)c1	808073123	DOYOXNDAYNTRIB-HNNXBMFYSA-N	308.378	1.467	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccnc(C(F)(F)F)c2)n1	809601518	DVGUQORRUMEMMW-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
Cc1c(NNC(=O)[C@H](NC(N)=O)C(C)(C)C)cccc1[N+](=O)[O-]	298174101	RMOKOSJDZDGEAZ-NSHDSACASA-N	323.353	1.429	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1cccc2c1CNC2=O	806752007	VGVQEGUVGRRLOX-UHFFFAOYSA-N	310.313	1.397	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC2C[C@@H]3CC[C@H](C2)N3C)n1	296937657	GREMDNUHWSUTAX-YHWZYXNKSA-N	304.398	1.345	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCCC(F)F)c(F)c1	1346839519	URBBCOFGHSCJMF-UHFFFAOYSA-N	305.256	1.894	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)Cn1cc(Cl)cn1	807778387	WFJIGMTUDYYLIK-UHFFFAOYSA-N	309.713	1.896	50	20	DDGD	
Cc1cc(NNC(=O)CCn2c(C)nc3ccccc32)ncn1	806863604	MRHMWIKWNZWDMN-UHFFFAOYSA-N	310.361	1.977	50	20	DDGD	
C[C@H]1C[C@H](C(=O)O)CCC1=NNC(=O)C(=O)Nc1ccccn1	814869115	CLXRWKVMGWTOOY-VHSXEESVSA-N	318.333	1.013	50	20	DDGD	
N#Cc1ccc(C(=O)NN=Cc2ccccc2-n2cncn2)cc1	814823807	XECJZNHHDJYARM-UHFFFAOYSA-N	316.324	1.903	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)Nc1ccn2ccnc2c1	810229566	YVKUPPNLFODZRU-UHFFFAOYSA-N	308.305	1.526	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)c1ccc2ccccc2n1)C1CCC1	813363520	YVXLMBXEJZAUBY-KRWDZBQOSA-N	313.357	1.547	50	20	DDGD	
N#Cc1ccsc1NC(=O)C(=O)NNc1ncccc1Cl	815558176	TWIXWHDQJOOMQC-UHFFFAOYSA-N	321.749	1.750	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccnnc1	817693260	LRJONZRZULOBHZ-JHJVBQTASA-N	302.378	1.844	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)CCc2cccs2)o1	811687947	KSGKNNFUXRSVBR-UHFFFAOYSA-N	314.388	1.456	50	20	DDGD	
CSCCCC=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1	814766975	UYBMFYUOBLREFJ-MGPQQGTHSA-N	315.483	1.977	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccc(OC2CCCC2)cc1	816770120	KMZMUOYIJMAYPJ-UHFFFAOYSA-N	301.350	1.893	50	20	DDGD	
COC(=O)c1ccc(O)c(C=NNC(=O)c2ccccc2O)c1	726737241	CDXQGNZQLWJTFM-UHFFFAOYSA-N	314.297	1.648	50	20	DDGD	
CCN1C(=O)C(=NNC(=O)c2cccn2C)c2cc(C)ccc21	725848229	YFURRGTYGZTJLH-UHFFFAOYSA-N	310.357	1.834	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccc3cnn(C)c3c2)nn1	812916192	CMODDZYPHCCQBU-UHFFFAOYSA-N	311.349	1.498	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1CCC[C@H]1c1ccccc1	823151625	AAUPHVURUIDVBC-GJZGRUSLSA-N	312.373	1.684	50	20	DDGD	
CC[C@H](C)n1ncc(NC(=O)NNC(=O)c2cc[nH]n2)c1C	822926602	LZBLDLOCTDBOBY-QMMMGPOBSA-N	305.342	1.352	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1cnc2ccccn12	825103420	XVYXSIDKBBBALN-JTQLQIEISA-N	303.322	1.056	50	20	DDGD	
CCN(CCO)NC(=O)CCc1ccc(OC(F)F)cc1	823847017	QJAOLIIWTLSLRK-UHFFFAOYSA-N	302.321	1.566	50	20	DDGD	
COC(=O)C[C@H]1CCCCN1C(=O)/C(C#N)=C\c1cnn(C)c1	822726101	MNGYGMUYNRYHBD-SVSAJMPUSA-N	316.361	1.271	50	20	DDGD	
CCN(CCO)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1	823837607	FIQNZXZNFSWHCL-UHFFFAOYSA-N	322.365	1.154	50	20	DDGD	
CN(NS(=O)(=O)CCOCC1CC1)C(=O)OC(C)(C)C	497196682	NNXTXFTYRQGDPO-UHFFFAOYSA-N	308.400	1.114	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1csc(C)n1	494432952	BXSJDPZHBFYKQA-UHFFFAOYSA-N	312.395	1.816	50	20	DDGD	
CC(C)(C)OC(=O)NCc1nc(CN2CC=C(C#N)CC2)no1	496311798	UZIFOMSJJGOKIQ-UHFFFAOYSA-N	319.365	1.750	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@@H](C)c1ccc(F)cc1Cl	828693856	XOYOBNMTSJAPAD-VIFPVBQESA-N	315.776	1.933	50	20	DDGD	
CC(C)N(CCC(=O)NNc1cnccn1)C(=O)OC(C)(C)C	491379567	YXZKYIYPHCCYQB-UHFFFAOYSA-N	323.397	1.955	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Cc1nnc(O)c2ccccc12	728608440	ZIYIQBPLRKUBRP-UHFFFAOYSA-N	316.361	1.462	50	20	DDGD	
CC(C)(C)OC(=O)NC1CC(=NNC(=O)[C@H]2CCCCO2)C1	496576940	FTVSIHMMYHTGCY-TVKKRMFBSA-N	311.382	1.715	50	20	DDGD	
COC(=O)N(C)NC(=O)Cc1ccccc1O[C@@H]1CCOC1	495920605	NNQREHXILGRYLL-GFCCVEGCSA-N	308.334	1.126	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(CN(C)C(=O)OC)cc1	491452483	MKDJDDBWLRQVBF-UHFFFAOYSA-N	310.310	1.277	50	20	DDGD	
CN(CCCC(=O)NNc1cnnc2ccccc12)C(=O)O	737426979	MDYJIGIBSHRNTD-UHFFFAOYSA-N	303.322	1.463	50	20	DDGD	
COc1cccc(-c2nc(C)c(C(=O)NN(C)[C@@H](C)CO)[nH]2)c1	823939277	IESSWHUYQAFBHF-JTQLQIEISA-N	318.377	1.351	50	20	DDGD	
CCOC(=O)NNC(=O)c1cnc(OCc2ccccc2)cn1	496789478	DJVSYHRVHUWWHV-UHFFFAOYSA-N	316.317	1.447	50	20	DDGD	
C[C@H](c1ccccc1)N(CC1CC1)C(=O)c1ccc(B(O)O)cc1	584936737	MMZAUTASNVFAOX-CQSZACIVSA-N	323.201	1.980	50	20	DDGD	
Cc1nnc(CCNC(=O)/C(C#N)=C\c2ccc(O)cc2)s1	491015226	ZXPGRSCFRABELL-WQLSENKSSA-N	314.370	1.818	50	20	DDGD	
O=C(O)COc1cccc(C=NNC(=O)c2ccc(O)cc2)c1	733200725	KGZBOKGCTDIJHR-UHFFFAOYSA-N	314.297	1.620	50	20	DDGD	
COc1ccc(CC[C@H](C)NCc2ccccc2B(O)O)cc1	585019247	HKHLUAIAQKXBJR-AWEZNQCLSA-N	313.206	1.486	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@H]1CCC[C@H]1c1ccccc1	584911443	HVPLOFMYSMZXPQ-IRXDYDNUSA-N	309.174	1.889	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cn(C)c(=O)n1C	908326757	DHGDIWGXJMPMCO-UHFFFAOYSA-N	302.378	1.913	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)NNc1ncccn1	496322210	IUQOYMPELDVSKF-GHMZBOCLSA-N	321.381	1.613	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2C[C@@H]2C(=O)O)c(C)c1	738628404	QTGRHBAPCQLPOB-UWVGGRQHSA-N	307.375	1.342	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C	736628921	LDKPWLLBVBZPTB-OBJOEFQTSA-N	321.396	1.949	50	20	DDGD	
Cc1cc(C(=O)NN[C@H](C(=O)O)c2cccc(C#N)c2)c(C)o1	832864895	WTFJLVYHUHYYRC-AWEZNQCLSA-N	313.313	1.828	50	20	DDGD	
COCC(COC)NC(=O)NN=c1sc2ccccc2n1C	836613897	WKYHRZJNPZIJFF-UHFFFAOYSA-N	324.406	1.016	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1sccc1C	733747837	UKOHFVQAGOVXPN-UHFFFAOYSA-N	305.359	1.920	50	20	DDGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCC(=O)O)c1C	739808954	VNNTUWBPNWZSGF-MQOXYSQQSA-N	319.361	1.420	50	20	DDGD	
COc1cc(NCc2cccc(B(O)O)c2)cc(OC)c1OC	585012647	OPBIDCYBWYXWKU-UHFFFAOYSA-N	317.150	1.004	50	20	DDGD	
CC(C)N(C(=O)COC(=O)/C(C#N)=C/c1cnn(C)c1)C(C)C	837970051	XIFYUJBYNRAVSJ-MKMNVTDBSA-N	318.377	1.516	50	20	DDGD	
CC(C)(C)O[C@H]1C[C@@H](NCc2ccc(B(O)O)o2)C12CCC2	585050275	VVROEZCICSOFOJ-OLZOCXBDSA-N	307.199	1.175	50	20	DDGD	
CCCNC(=O)NNC(=O)c1csc(N2CCCCC2)n1	900394137	MVPJJKIFMAZZMG-UHFFFAOYSA-N	311.411	1.487	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@H]2CCc3cc(O)ccc3C2)cn1	831181274	IUKCQDNRKSRVRR-PJVYJYFWSA-N	322.368	1.706	50	20	DDGD	
Cc1ccccc1C[C@@H]1CCCN1CC(=O)NNC(=O)C1CC1	734149859	KNMUNOQIZZSDKW-INIZCTEOSA-N	315.417	1.559	50	20	DDGD	
C[C@H]1CCCN(CCNC(=O)NNc2cccc(C(=O)O)c2)C1	833615038	ZHPUMJXEPAQBBC-LBPRGKRZSA-N	320.393	1.743	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2CCC[C@@H]2Cc2ccccn2)c1	585047546	RGPUKUNLDCUQKS-CRAIPNDOSA-N	310.206	1.262	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CC[C@H]2CCOC2)c(F)c1	837207759	RTVSZFBBVXIONO-JTQLQIEISA-N	310.325	1.872	50	20	DDGD	
CN(CCN1CCCC1=O)C(=O)[C@]1(C)C[C@@H]1Br	906663115	FIIUKNSJOYJOLD-JOYOIKCWSA-N	303.200	1.241	50	20	DDGD	
COc1cccc2c1CN(CC(=O)NNC(=O)C(C)(C)C)CC2	831948991	MKVVYBWFDRDBOD-UHFFFAOYSA-N	319.405	1.247	50	20	DDGD	
O=C(NC[C@@H]1CCOC2(CCC2)C1)NNc1ncncc1F	836582561	KZVKOUJGPUVVMC-SNVBAGLBSA-N	309.345	1.591	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)C(=O)NNC(=O)CCc1ccccc1	837381919	RQEPEQSBZPBILD-ZDUSSCGKSA-N	314.389	1.379	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)Cc1scnc1-c1ccccc1	830690050	GFKDTVIOIUKEFW-UHFFFAOYSA-N	319.386	1.271	50	20	DDGD	
CCOC1(C(=O)NNc2cnc3ccccc3n2)CCOCC1	832213393	SBDLDOOUYCNAAM-UHFFFAOYSA-N	316.361	1.659	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCCNC(=O)OCc1ccccc1	910171182	UXRZUSQBFKOILN-ZDUSSCGKSA-N	323.393	1.037	50	20	DDGD	
CC(C)Cc1ncc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cn1	831760158	UHCXYUKIIRHOHE-CMPLNLGQSA-N	321.381	1.253	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1	732757127	SWHWQTMTGQGPSR-QWHCGFSZSA-N	324.425	1.156	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCc3cc(F)ccc32)n[nH]1	831418018	IOHTVHSRCVULPF-LBPRGKRZSA-N	302.309	1.348	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)COc2ccccc2F)CCCCO1	837309256	GTZWBRZVMJVTKS-OAHLLOKOSA-N	310.325	1.311	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)C1CC2(CC2)C1	831460063	PSBFFNFURAFCCP-UHFFFAOYSA-N	306.387	1.822	50	20	DDGD	
O=C1NCC[C@@H]1C(=O)NNc1ccc(OC(F)(F)F)cc1	830791110	AKHCKFBQJLSIBA-VIFPVBQESA-N	303.240	1.164	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1	912579907	KAOSIOFKQRXHGC-NSHDSACASA-N	312.486	1.875	50	20	DDGD	
CC[C@H](C)[C@@H](CNC(=O)NNc1ncncc1Cl)OC	836547417	PBORXHSBVJYASZ-WCBMZHEXSA-N	301.778	1.817	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCC[C@H](C)N(C)Cc1ccccc1	746774343	NQHIUIXCFUYXNC-AWEZNQCLSA-N	320.437	1.883	50	20	DDGD	
Cc1ccc2c(CC(=O)NNC(=O)[C@@H]3CCO[C@H]3C)c[nH]c2c1	843647309	MAUVDNDDUDESLT-WCQYABFASA-N	315.373	1.591	50	20	DDGD	
COc1cccc(C=NNC(=O)Cc2cn3ccccc3n2)c1O	747637529	APDDINJGMRELTG-UHFFFAOYSA-N	324.340	1.741	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)N[C@@H]1CCN(CC(F)F)C1	841594627	NATBSFHWKFBTGQ-MRVPVSSYSA-N	319.743	1.701	50	20	DDGD	
CN(C)c1ccc(CNC(=O)NNc2ccc(Cl)nn2)cn1	916443777	FWCYZFKRXRSHMU-UHFFFAOYSA-N	321.772	1.417	50	20	DDGD	
CO[C@H]1CCCCC1=NNC(=O)c1cc([N+](=O)[O-])ccc1O	741770268	DHBOQRDCEQPNFZ-ZDUSSCGKSA-N	307.306	1.975	50	20	DDGD	
CSc1c(F)cccc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843656391	PGWQYFXVZWZUGX-BDAKNGLRSA-N	312.366	1.734	50	20	DDGD	
CC(CSC(C)(C)C)=NNC(=O)Cc1cc(O)nc(O)n1	743447306	GMVSRCUAKUGKON-UHFFFAOYSA-N	312.395	1.454	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc(OCC(=O)O)cc1	916355258	OYPRXTNRAFAFND-UHFFFAOYSA-N	321.377	1.332	50	20	DDGD	
C[C@@H]1CCCc2ncc(C(=O)NNC(=O)c3cccc(C#N)c3)n21	844379877	QUGLXMJBKMCJOT-LLVKDONJSA-N	323.356	1.727	50	20	DDGD	
CCn1ncc(C=NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)n1	841635369	KNPOSECGDHIXFK-SNVBAGLBSA-N	321.768	1.869	50	20	DDGD	
CC(=NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(C)C	916338862	RYSOSJGGWFYOIO-UHFFFAOYSA-N	317.798	1.749	50	20	DDGD	
CC(=NNC(=O)c1cccnc1)c1ccc(-n2cnnn2)cc1	918707849	BFIAMYRXFKWQOO-UHFFFAOYSA-N	307.317	1.211	50	20	DDGD	
Cn1cc(/C=C\C(=O)NNC(=O)CCOc2ccccc2)cn1	747180534	BTJNABNCPUTOBL-FPLPWBNLSA-N	314.345	1.050	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)[C@H]1CC12CCCC2	747307011	FAYXNGUSUDWZIJ-CQSZACIVSA-N	302.374	1.931	50	20	DDGD	
Cc1cccc(CN(C)CC(=O)NNC(=O)c2ccccc2)c1	917841581	KRDFUERWXOCZPU-UHFFFAOYSA-N	311.385	1.888	50	20	DDGD	
C=C(C)CNC(=S)NNC(=O)Nc1ccc(N(C)C)cc1	741856872	SCTOFBLZZWRJOS-UHFFFAOYSA-N	307.423	1.829	50	20	DDGD	
CCn1cccc(NC(=O)NNC(=O)CC2CCCC2)c1=O	841733765	YSYMLSQTPMMAFM-UHFFFAOYSA-N	306.366	1.601	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@@H](C)Oc1ccc(C)cc1	745887715	DHZRJBYWUAOMKH-GFCCVEGCSA-N	309.366	1.129	50	20	DDGD	
CN1CCN(c2cccc(Cl)c2C=NNC(=O)C2CC2)CC1	915940844	DMFHWVJQIHAZIF-UHFFFAOYSA-N	320.824	1.952	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1scnc1C(F)(F)F	843654451	IDTSYTOYMCHOFU-WDSKDSINSA-N	323.296	1.348	50	20	DDGD	
O=Cc1ccc(C(=O)NNC(=O)c2ccc3ccccc3n2)[nH]1	749855426	NFQYGTMBXSTVHO-UHFFFAOYSA-N	308.297	1.450	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2O)cnn1C	918704728	UJHWBXFYHBOZPZ-UHFFFAOYSA-N	308.725	1.162	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1ccc(OC)cc1C	841628302	SPCSBRONBAQUED-ZDUSSCGKSA-N	308.378	1.895	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc2c1OC(C)(C)C2	847094490	BGYNBAAVJYYOEW-CMPLNLGQSA-N	318.373	1.586	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)N[C@@H]1CCCNCC1	841978040	PURGCIZLEWLGMK-SECBINFHSA-N	306.395	1.460	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1cccc(F)c1	843652104	QWYKWFPRTLAQRB-GYSYKLTISA-N	308.353	1.892	50	20	DDGD	
Cn1ncc(C2CC2)c1CNS(=O)(=O)CBr	849460202	HJRYGTLXKAJCLR-UHFFFAOYSA-N	308.201	1.069	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)n1	845086894	POFFTIGDKFXGQI-HZSPNIEDSA-N	302.378	1.250	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@H]2Cc3ccccc32)c1	740748929	DSCSREWJWUPUAI-INIZCTEOSA-N	310.353	1.861	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@H]2COc3ccccc3O2)CCN1C	741452862	IMWVSABWASMOEP-IAQYHMDHSA-N	303.362	1.413	50	20	DDGD	
N[C@H]1CCC[C@H](NC(=O)NNC(=O)Cc2ccc(Cl)cc2)C1	841981791	IXHRZZCXDUMIEN-STQMWFEESA-N	324.812	1.483	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@H]1CCC[C@@H](C(F)(F)F)C1	745986194	MWLVLRKAVVGSAH-VHSXEESVSA-N	323.315	1.428	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1cncc(OCC(F)(F)F)n1	849175396	WIQDADSJTMTIGC-YWEYNIOJSA-N	316.239	1.800	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(N2CCO[C@H](C)C2)cc1	756682884	AMWNHPXLJRBGIK-LLVKDONJSA-N	306.366	1.474	50	20	DDGD	
C[C@]1(CN2C(=O)[C@H]3CSCCN3C2=O)C[C@H]1Br	857227217	IPYPBDMLKAJHQO-SOCHQFKDSA-N	319.224	1.540	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1cccc(F)c1O	755679601	RCFFASIVNYGDEV-UHFFFAOYSA-N	305.265	1.004	50	20	DDGD	
Cc1cccc2c1CN([C@@H](C)C(=O)NNC(=O)CC(C)C)CC2	759880550	GAMYIWRLLYEWNN-AWEZNQCLSA-N	317.433	1.935	50	20	DDGD	
COC(=O)C1(C(=O)OC[C@H](CBr)C2CC2)CC1	859639177	VIANVNDCAYAUGY-VIFPVBQESA-N	305.168	1.904	50	20	DDGD	
O=C(CCCn1cncn1)NNc1ccc([N+](=O)[O-])cc1F	855620700	CWYXTCKNNYVTDA-UHFFFAOYSA-N	308.273	1.249	50	20	DDGD	
COCc1nc(C(=O)NNc2ccc(C(=O)OC)cn2)cs1	759722147	ZGYLIQVERVWACR-UHFFFAOYSA-N	322.346	1.228	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(C(=O)NC(C)C)cc1C	756167708	JQDWCFZIGOTQKF-UHFFFAOYSA-N	306.366	1.696	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=C1CN(C2CC2)C[C@@H]1C	755879089	IXSLKEJWILXACS-NSHDSACASA-N	311.389	1.843	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)c2cccc(F)n2)[C@@H](n2cncn2)C1	853445399	ZVFGYWIUJQNYAR-GWCFXTLKSA-N	316.340	1.959	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)[C@@H]1C	858122122	QGOSPXXPLACZQM-PUXPGTEJSA-N	320.345	1.236	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CO[C@H](C)C2)c1C	854204938	GBBKBSCFHARJNY-KOLCDFICSA-N	307.350	1.585	50	20	DDGD	
CO[C@H](C=NNC(=O)CCCNC(=O)OC(C)(C)C)C1CC1	853325341	HFMSWGYJZQVHIG-GFCCVEGCSA-N	313.398	1.818	50	20	DDGD	
CS(=O)(=O)Nc1cccc(/C=C(/C#N)C(=O)N2CCCC2)c1	853005186	YYBXCLAQHKDIPW-LCYFTJDESA-N	319.386	1.587	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)c2nccn2C)cc1OC	755480101	CBVBESYZTWSFMA-UHFFFAOYSA-N	302.334	1.591	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H](C)OCC(C)C	920804946	GDNNJSRPVMKVNZ-GFCCVEGCSA-N	318.377	1.465	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1cc(F)cc(F)c1	755890241	RKHYQNFEOLZHGC-UHFFFAOYSA-N	321.283	1.828	50	20	DDGD	
CC1(C)CN(C(=O)NC[C@]2(C)C[C@H]2Br)CCO1	856899944	HSEMJZMJSNYBEE-SKDRFNHKSA-N	305.216	1.980	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1cn[nH]c1)c1nc(C)cs1	858704293	GVYATCUWMATJGN-VIFPVBQESA-N	308.367	1.270	50	20	DDGD	
CCNC(=O)NNC(=O)C(F)(F)c1cc(Cl)ccc1OC	930731783	MKCXMVWCRQARQN-UHFFFAOYSA-N	321.711	1.791	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCc1cccc2ccccc12	867672746	SNXYCZCCIOLGIM-UHFFFAOYSA-N	300.358	1.691	50	20	DDGD	
CO[C@@H](CC(=O)NNC(=O)c1cc(C)cs1)C(F)(F)F	862479905	GKNPLQAPEWBFSR-QMMMGPOBSA-N	310.297	1.785	50	20	DDGD	
C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccc(B(O)O)cc2)C1	868314399	UKJGTMWXJCCSIP-DYVFJYSZSA-N	309.174	1.590	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1nc2ccc(F)cc2s1	761826812	IIDCJWUBECGSBG-UHFFFAOYSA-N	310.310	1.242	50	20	DDGD	
Cc1cc(C)c(C=NNC(=O)Cc2cc(O)nc(S)n2)[nH]1	760239174	IEIUMVUIMFUFND-UHFFFAOYSA-N	305.363	1.109	50	20	DDGD	
COCCOCC(=O)NNC(=O)[C@H](c1ccccc1)C(C)C	869909651	DXNGMHDOURDKDJ-HNNXBMFYSA-N	308.378	1.237	50	20	DDGD	
CC(C)(C)C1CCC(C=NNC(=O)CS(C)(=O)=O)CC1	863186900	PYEJQCYBNVATST-UHFFFAOYSA-N	302.440	1.986	50	20	DDGD	
O=C(CC1OCCO1)NNc1nc2ccccc2[nH]c1=S	862293283	QCHQUWBHTGGNMY-UHFFFAOYSA-N	306.347	1.498	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C2(F)CCOCC2)cc1C	864463278	UPFMIIDNCHRQJF-UHFFFAOYSA-N	324.352	1.348	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNC(=O)Cc2ccccc2F)n1	865635347	MPDHVBJPBQVEII-LLVKDONJSA-N	318.352	1.357	50	20	DDGD	
C[C@@H](NNC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1)C(F)(F)F	862309498	RFHGXQOJJTUOBY-NXEZZACHSA-N	323.359	1.843	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CCO[C@@H]3CCC[C@@H]32)cc(C#N)n1C	862858610	SFXASLSGQMLCLS-HUIKVCRJSA-N	324.384	1.892	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(N2CCCCC2)cc1	763441962	OWGOCCXBKPKWHE-UHFFFAOYSA-N	318.377	1.173	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)NN[C@H](C)C(F)(F)F)C2	862322462	JEPNQILAQFQOJT-KATARQTJSA-N	321.299	1.201	50	20	DDGD	
C[C@H](c1ccccc1F)[C@@H](O)C(=O)NNC(=O)[C@H]1CCCCO1	868618981	DLKSTDVDWXCTSC-LERXQTSPSA-N	324.352	1.007	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NNC(=O)c1cccc(Cl)n1	862993029	KZFDIMUPHRZLKP-JTQLQIEISA-N	310.785	1.369	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)C(=O)c1ccc(Cl)s1	760832533	RDYVWKCFHRLQCR-UHFFFAOYSA-N	322.737	1.394	50	20	DDGD	
N#CC1=CCN(C(=O)CCn2cc(Br)cn2)CC1	760003558	LKKIYXFZOVCMPJ-UHFFFAOYSA-N	309.167	1.718	50	20	DDGD	
Cc1c(NNC(=O)C2(O)CCSCC2)cccc1[N+](=O)[O-]	765199340	SADAXHYGXVZMPK-UHFFFAOYSA-N	311.363	1.604	50	20	DDGD	
O=C(NNC(=O)c1nc2ccccc2s1)N[C@@H]1CCSC1	872913228	XFLPFUVESPCIMC-MRVPVSSYSA-N	322.415	1.746	50	20	DDGD	
Cn1cc2c(n1)CCCC2=NNC(=O)c1ccc(C(=O)O)cc1	872410389	JANQLASLNUMEEH-UHFFFAOYSA-N	312.329	1.589	50	20	DDGD	
CCc1csc(-n2cc(C(=O)NNC(=O)NC(C)C)cn2)n1	762742504	LDCAWLNARMBPIB-UHFFFAOYSA-N	322.394	1.244	50	20	DDGD	
CCOC(=O)N1CCC(NC(=O)NNc2cccc(C)n2)CC1	874975477	FGNFSQLOXLBLSE-UHFFFAOYSA-N	321.381	1.637	50	20	DDGD	
Cc1ccc2c(c1)[C@H](NC(=O)NNC(=O)c1cn[nH]c1)CCC2	1119083826	LKZCVBMBKKKFIH-CQSZACIVSA-N	313.361	1.740	50	20	DDGD	
Cc1cc(=NNC(=O)NCCC(=O)NC2CCCCC2)cc[nH]1	875132538	BYKVIPMXTVAMDY-UHFFFAOYSA-N	319.409	1.277	50	20	DDGD	
C[C@H](c1ccncc1)N(C)CC(=O)NNC(=O)c1cccs1	777713892	LQSNUJXCIQZFFU-LLVKDONJSA-N	318.402	1.597	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2nc3ccccc3s2)CCCOC1	874914124	MIJRKFVQBWOSIY-HNNXBMFYSA-N	319.386	1.874	50	20	DDGD	
CC1(C)[C@H](C(=O)O)[C@H]1C(=O)NC[C@@]1(C)C[C@H]1Br	872882471	HKDYZIZSCNIXKY-MOEZTCPLSA-N	304.184	1.633	50	20	DDGD	
CCNC(=O)NNC(=O)CCC(=O)Nc1c(F)cccc1F	874193899	SIGGAMWCLXAKSC-UHFFFAOYSA-N	314.292	1.034	50	20	DDGD	
CC(C)c1[nH]nc(C(=O)NNC(=O)CC(F)(F)F)c1[N+](=O)[O-]	771556685	UZXRNLOKZVASGU-UHFFFAOYSA-N	323.231	1.155	50	20	DDGD	
CN(CC(C)(C)C)C(=O)c1cccc(C(=O)NN(C)C(N)=O)c1	778416581	DIBIMIKIXYFIGF-UHFFFAOYSA-N	320.393	1.460	50	20	DDGD	
CC(=NNC(=O)Cn1c(C)nc2ccccc21)c1cnn(C)c1C	778538600	OBMGBDGFAZIRIM-UHFFFAOYSA-N	324.388	1.927	50	20	DDGD	
CN1CCc2cc(C(=O)NNC(=O)CC(F)(F)F)ccc21	779378679	SCKRHEUZPOOKOK-UHFFFAOYSA-N	301.268	1.392	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H]1CCNC12CCC2	877003679	XZUNPQQTXTUWPO-GFCCVEGCSA-N	310.829	1.753	50	20	DDGD	
Cc1cc(C)n2nc(C)c(C(=O)NCCCSC#N)c2n1	773593273	HMXCCFYXCVRZQK-UHFFFAOYSA-N	303.391	1.989	50	20	DDGD	
Cc1ccc(C(=O)NNc2cc(Cl)nc(N)n2)c(O)c1O	773860226	DKSXRRGODNIURX-UHFFFAOYSA-N	309.713	1.189	50	20	DDGD	
CCc1ccnc(C(=O)NNC(=O)Cn2cnc3ccccc32)c1	774805867	ISCMHRYWVKFHII-UHFFFAOYSA-N	323.356	1.455	50	20	DDGD	
CC[C@H](C)n1nc(C(=O)NNC(=O)NCc2ccco2)cc1C	778245066	IJNPIABQERXRPA-JTQLQIEISA-N	319.365	1.900	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@H]2CC[C@@H](C)C2)cc1	776451445	DFCRXADJAHRRMJ-NEPJUHHUSA-N	305.378	1.691	50	20	DDGD	
Cc1ccc(C)c(C(=O)NNc2nc(O)c3cnn(C)c3n2)c1	770972573	SFRAIGJODCVFNI-UHFFFAOYSA-N	312.333	1.443	50	20	DDGD	
CC(C)Oc1ccccc1CC(=O)NNC(=O)c1cccnn1	882058802	KYGWXXDRBJZKBI-UHFFFAOYSA-N	314.345	1.268	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C1CC(O)(CCC(C)(C)C)C1	887148941	CLCQTONSRPIJCY-UHFFFAOYSA-N	308.422	1.905	50	20	DDGD	
COC[C@H](C)C(C)=NNC(=O)c1nn(C)c(=O)c2ccccc12	777879567	VWTUDPWSSPHFDL-JTQLQIEISA-N	316.361	1.322	50	20	DDGD	
O=S(=O)(CCCCl)N1CCC[C@@H]1[C@H](O)C(F)(F)F	881918433	AKWXCACLJOHUEV-SFYZADRCSA-N	309.737	1.333	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccccc1F)[C@@H]1CCCOC1	780043703	IKRWEHBDPTWMGM-DGCLKSJQSA-N	323.368	1.514	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(O)nc(CC(C)C)c1	887146711	IJHCHWOQCKARBR-UHFFFAOYSA-N	303.362	1.550	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@@H]1CCCN(C(=O)C2CC2)C1	781818724	HTJFOSXMTTWILU-SNVBAGLBSA-N	323.784	1.222	50	20	DDGD	
COc1ccc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)cn1	780186122	DWPBTTZZGQJJCL-UHFFFAOYSA-N	300.274	1.762	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2ccc(OC)nc2)cc1	780195377	ANXDXXRBJVRSFZ-UHFFFAOYSA-N	315.329	1.628	50	20	DDGD	
Cc1ccnc(NC(=O)CN(C)S(=O)(=O)CCCCl)c1	881855179	QMPRCQUJCZODHP-UHFFFAOYSA-N	319.814	1.219	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc([C@]2(C)COC(=O)N2)c1	881103150	OPEKLRQKWPAIQE-HNNXBMFYSA-N	322.365	1.256	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccc(OC)cn2)cn1	781535029	XWOZWYLYTGORNT-UHFFFAOYSA-N	302.290	1.029	50	20	DDGD	
CC(=O)NNC(=O)c1cccc2nc(O)n(CC(C)(C)C)c12	895477073	REDYTBDTAGITMA-UHFFFAOYSA-N	304.350	1.569	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1c[nH]cc1C1CC1	899993250	ULJFCZIMZFUZNN-UHFFFAOYSA-N	310.423	1.380	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H](C)c1cnn(C)c1	780739026	WUBMTGFYMQGIED-SNVBAGLBSA-N	302.334	1.454	50	20	DDGD	
O=C(NNc1ncncc1F)c1csc(N2CCCCC2)n1	897831764	CIJPFRVBTMIKRR-UHFFFAOYSA-N	322.369	1.819	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H](O)c1ccccc1C(F)(F)F	899946527	CYHMSEHTPYLGKV-SNVBAGLBSA-N	304.268	1.542	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CC(C)C)cc2c1O[C@H](C)C2	789852659	VXOYNMSSTBXXNT-SNVBAGLBSA-N	306.362	1.826	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc([N+](=O)[O-])cc1Cl	783867343	OHCKDHMQKQXRFR-UHFFFAOYSA-N	314.685	1.054	50	20	DDGD	
COc1ccc(Cl)cc1NCC(=O)NN=c1cc[nH]cc1	780761573	ZCKIWQCIZLPZMN-UHFFFAOYSA-N	306.753	1.721	50	20	DDGD	
CCc1cncc(C(=O)NNc2ccc(C(=O)OC)cn2)c1	790008019	UEFHQTGODORAEJ-UHFFFAOYSA-N	300.318	1.583	50	20	DDGD	
C[C@@H](c1ccccc1)[C@](C)(O)C(=O)NNC(=S)NC(C)(C)C	899995962	CHYDXRHYIQBYOG-ZBEGNZNMSA-N	323.462	1.835	50	20	DDGD	
COc1cccc(C=NNC(=O)c2ccc(OC)c(OC)c2)n1	790142699	CLMILJGYBKLAIG-UHFFFAOYSA-N	315.329	1.871	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CNc2c(C)cccc2C)n1	794084185	BCTIKBGKGGAPKI-UHFFFAOYSA-N	312.373	1.880	50	20	DDGD	
CO[C@@H]1C[C@@H](NC(=O)NNc2nc3ccccn3n2)C1(C)C	790423271	WYDHPNQCIVPVMU-NXEZZACHSA-N	304.354	1.169	50	20	DDGD	
COC1(C=NNC(=O)CNC(=O)c2cccnc2)CCCCC1	790166267	BFAIYYQRFHYFDJ-UHFFFAOYSA-N	318.377	1.263	50	20	DDGD	
CC(=NNC(=O)c1cc(Br)c[nH]1)c1cc(C)n(C)n1	799873718	LRPJQNLRDNVAAP-UHFFFAOYSA-N	324.182	1.973	50	20	DDGD	
CCc1ccnc(CNC(=O)NNc2nccc(OC)n2)c1	798120023	URVOCHNUQZZNCZ-UHFFFAOYSA-N	302.338	1.269	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H](C)c2ccc[nH]2)cc1	1319644645	CRTVRWPACLYWLV-SNVBAGLBSA-N	302.334	1.729	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCCC1CCOCC1	1318552992	LTQJAFRKJLNTOA-UHFFFAOYSA-N	323.368	1.515	50	20	DDGD	
CC(C)Cc1cc(C(=O)NNC(=S)NC(C)C)cc(O)n1	1320675375	LVKNVFDANJTBEH-UHFFFAOYSA-N	310.423	1.503	50	20	DDGD	
CC(=NNC(=O)C[n+]1ccccc1)c1ccc(O)c(Cl)c1	1321540256	NLRSQXDRZVOZEJ-UHFFFAOYSA-O	304.757	1.874	50	20	DDGD	
CC(C)Cc1c[nH]c(C(=O)NNc2nncc(N)c2Cl)c1	1325197302	QQUNCKDRJRTRLW-UHFFFAOYSA-N	308.773	1.996	50	20	DDGD	
O=C(CCl)NC[C@@H](c1ccc(F)cc1)N1CCOCC1	1320466756	OVXDHBHYNBNWGE-ZDUSSCGKSA-N	300.761	1.554	50	20	DDGD	
Cn1ccc(NNC(=O)c2ccn(-c3ccc(F)cc3)n2)n1	1324865085	XGMNQDZPYTUCTC-UHFFFAOYSA-N	300.297	1.502	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cn(C)nc1C1CCCCC1	1321440799	VVHWKCKRAFKJJX-UHFFFAOYSA-N	323.466	1.985	50	20	DDGD	
CCc1nocc1C(=O)NNc1ccc(CC(=O)OC)cc1	1329350918	SXXDPCWDPSDWLN-UHFFFAOYSA-N	303.318	1.709	50	20	DDGD	
CO[C@H](CC(=O)NNc1nncc(N)c1Cl)C(F)(F)F	1329648157	PELUKJBBIRHSBY-RXMQYKEDSA-N	313.667	1.123	50	20	DDGD	
O=C(NNc1cccnn1)C(=O)Nc1ccc2scnc2c1	1255508381	WLXJNVOAJWDZHZ-UHFFFAOYSA-N	314.330	1.168	50	20	DDGD	
O=C(NNc1cncc(Br)c1)c1nc(C2CC2)no1	1335511289	DTJCNHSXPZXIMP-UHFFFAOYSA-N	324.138	1.861	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ncoc1[C@H]1CCCO1)C1CC1	1261746177	AYOOJLASYUYIKC-PSASIEDQSA-N	324.406	1.434	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cnc3ccccc3n2)c1Cl	1340602818	WTFOTOOJGUNWKZ-UHFFFAOYSA-N	315.724	1.412	50	20	DDGD	
CC(C)CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)C(C)(C)C	1345622477	CWNWYCNVSXJDAN-GFCCVEGCSA-N	311.426	1.607	50	20	DDGD	
Cc1nn(C)c(C)c1CC(=O)NNc1ccc(F)c(C(=O)O)c1	1608000837	MVMQVZDZSGDOJL-UHFFFAOYSA-N	320.324	1.560	50	20	DDGD	
NC[C@H]1CCCC[C@H]1NC(=O)NNc1cccc(C(=O)O)c1	1601187152	QWCVXCYKRNZHDX-DGCLKSJQSA-N	306.366	1.528	50	20	DDGD	
Cc1cc(=NNC(=O)CCc2ccc(-c3nn[nH]n3)cc2)cc[nH]1	1605740469	XMOFDCAKVCHPIP-UHFFFAOYSA-N	323.360	1.068	50	20	DDGD	
CCC[C@@H](CNC(=O)NNc1ccc(CC(=O)O)cc1)OC	1605213798	ADJJTWYVTPGIAQ-ZDUSSCGKSA-N	309.366	1.755	50	20	DDGD	
C=CCOC[C@H](NC(=O)/C(C#N)=C/c1ccc(F)cc1)C(=O)O	1609432267	LGVJPLUNVZSSPZ-BCNIOPEESA-N	318.304	1.505	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2nc3ccccn3n2)s1	1602324677	WRBMBVMMCBDANT-UHFFFAOYSA-N	303.303	1.246	50	20	DDGD	
CCCc1n[nH]cc1C(=O)NNc1ccc(C(=O)O)cc1F	1605364994	WTXBKZYTHKLHQX-UHFFFAOYSA-N	306.297	1.956	50	20	DDGD	
C[C@@H](Cn1cccn1)NC(=O)NNc1cccc(C(=O)O)c1F	1604247737	SKMZEBLPPNGUFM-VIFPVBQESA-N	321.312	1.435	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCCC[C@@H]1C(=O)O	1601045455	LVPXWVCZGPREKZ-FWLQQBITSA-N	300.314	1.765	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1cc(C(=O)O)co1	1600584974	CSVFLDIUFSVYEI-UHFFFAOYSA-N	303.274	1.753	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1ccc(C(=O)O)nc1	1605815951	ZIHWSCIYJIULAG-UHFFFAOYSA-N	320.236	1.584	50	20	DDGD	
Cc1cnc(C=NNC(=O)[C@@H]2CCCO[C@@H]2c2nccn2C)o1	1549312196	AAUKLKOSOCTLDI-YPMHNXCESA-N	317.349	1.335	50	20	DDGD	
O=C(NN=Cc1ccc2cnccc2c1)[C@@H]1CN2CCC[C@H]2CO1	1549318394	BTXWLJOQJIPVPL-IRXDYDNUSA-N	324.384	1.548	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N[C@H](CC(F)F)C(=O)O	1610618421	GQAMEBBNZJRNRW-YOOZJCNJSA-N	312.247	1.957	50	20	DDGD	
CN(C)c1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)cc1	1549314253	HWLVCUAVPNNZDE-HOTGVXAUSA-N	316.405	1.066	50	20	DDGD	
COc1cccc([C@@H](N)C(=O)NNC(=O)NC2CCCCC2)c1	1579264120	GSTOTCTVGPQANI-CQSZACIVSA-N	320.393	1.358	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)CCCCCN)c1ccc(F)cc1	1578891220	JLIDOKPJEJTYDC-AWEZNQCLSA-N	311.357	1.180	50	20	DDGD	
Cc1ccc2occ(CC(=O)NNC(=O)[C@@H]3CCCNC3)c2c1	1579742614	BRIMBZWHDJFYSP-GFCCVEGCSA-N	315.373	1.431	50	20	DDGD	
C=C(CBr)COC(=O)c1cc(-c2nn[nH]n2)ccn1	1588443197	VREREZWCVIHTEJ-UHFFFAOYSA-N	324.138	1.370	50	20	DDGD	
N[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2F)CC1	1580415431	QPGYEDMXRHAMRT-WAAGHKOSSA-N	313.760	1.758	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2ccno2)C1	1842438532	KTYIWOKDQGICQR-SNVBAGLBSA-N	311.769	1.509	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)C23CC(C2)C3)C1	1846735522	YCNGUJQQUXOBBE-QUNCOHTASA-N	300.761	1.524	50	20	DDGD	
CC1CCN(C(=O)C(=O)NNc2ccc(C(=O)O)cc2F)CC1	1594392074	BJWGJBCPAMQTHG-UHFFFAOYSA-N	323.324	1.226	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cc(F)c(C(=O)O)c(F)c1	1598876212	UOJHHSUWLKYDCN-UHFFFAOYSA-N	303.221	1.398	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2cccc(-c3nn[nH]n3)c2)[C@@H](C)O1	1590200353	PYSMRMJABDNMMC-KBVBSXBZSA-N	317.353	1.059	50	20	DDGD	
CCOC1CC2(C1)C[C@@H]2C(=O)NNc1ccc(CC(=O)O)cc1	1596848972	GHELGQQKPRVKNL-XOYHFGRZSA-N	318.373	1.962	50	20	DDGD	
O=C(O)[C@@]1(C(=O)NNc2c(F)cccc2Cl)CCCO1	1594864500	FQAOPNPTSXYCCF-LBPRGKRZSA-N	302.689	1.556	50	20	DDGD	
CC[C@@H](C(=O)O)C(=O)NNC(=O)NCc1ccc(Cl)cc1	1594755746	QHXHKIATCPATJX-SNVBAGLBSA-N	313.741	1.281	50	20	DDGD	
CN(NC(=O)[C@]1(C(=O)O)C[C@H]2CC[C@H]1C2)C(=O)OC(C)(C)C	1593766037	CUWJSACXAGITSU-YHAQOWFVSA-N	312.366	1.776	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cccnc2C(=O)O)c(C)o1	1594281183	XCTRFGIOISUZSA-UHFFFAOYSA-N	318.289	1.456	50	20	DDGD	
C[C@@H]1[C@H](C(=O)O)CCN1S(=O)(=O)c1ccc(CCl)cc1	1594170419	DJAOMUUJCVJMHZ-BXKDBHETSA-N	317.794	1.909	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C/c1cnc2ccc(C(=O)O)cn12	1776330814	CHLAVOAJOSVCBV-LFYBBSHMSA-N	312.329	1.712	50	20	DDGD	
COc1ccc(C)c(C=NNC(=O)c2ccccn2)c1C(=O)O	1776028471	YTHBALPQQQMUQO-UHFFFAOYSA-N	313.313	1.861	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C/c1ccc(-n2cnc(C(=O)O)c2)cc1	1776120539	LAGDAOKUCBMQLA-MDWZMJQESA-N	322.324	1.780	50	20	DDGD	
Cc1oc(C=NN(CCO)C(=O)OC(C)(C)C)cc1C(=O)O	1776110373	AFKJOFZZDRENAX-UHFFFAOYSA-N	312.322	1.850	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)nc1	160012244	NLZSYNVGACDSPX-UHFFFAOYSA-N	321.340	1.855	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1c(F)ccc(F)c1F	163866868	WPEURFTUHNUFEK-UHFFFAOYSA-N	308.223	1.527	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CC(=O)NNC(=O)c1ccccc1O	155505726	DJTSREZZNFFLRI-SECBINFHSA-N	317.345	1.952	50	20	DDGD	
O=C(CN1Cc2ccccc2C1)NNC(=O)c1cccs1	155524936	SLZFZBGPQWZTEM-UHFFFAOYSA-N	301.371	1.525	50	20	DDGD	
O=C(CSCc1ccncc1)NNc1ncnc2nc[nH]c12	156252169	GUVPODROGZSKJM-UHFFFAOYSA-N	315.362	1.124	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNC(=O)CCc2ccccc2)cc1	154172309	LXBOTSZAFZIJKO-UHFFFAOYSA-N	311.341	1.179	50	20	DDGD	
O=C(CCC1CCC1)NNc1nccc(N2CCOCC2)n1	155489211	QUJNPNCMHWNYLT-UHFFFAOYSA-N	305.382	1.337	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1cccc(-n2ccnn2)c1	154547645	GWDOBRLFIKGGAJ-UHFFFAOYSA-N	323.312	1.048	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(Br)cc1	8103080	KWRPYJVPLPVXNV-UHFFFAOYSA-N	302.128	1.248	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1cccc2cn[nH]c12	108995883	VATGLJVKMWSFBT-UHFFFAOYSA-N	312.304	1.706	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2ccc(C#N)cn2)cc1	107461617	NJEXSRPHNRHRCX-UHFFFAOYSA-N	324.340	1.356	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)CCc2ccccc2O)s1	106288590	BYNQAUZSYOBABH-UHFFFAOYSA-N	319.386	1.859	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)C2[C@H]3CCC[C@@H]23)nc2ccccc21	178088837	XJTMYOWMUHVLMQ-SOSAQKQKSA-N	312.373	1.309	50	20	DDGD	
CCCCCC[C@@H](C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1	172702844	JKFVLCXQJIBOBJ-NEPJUHHUSA-N	318.439	1.175	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F	112855240	VPKIKWBDNDKUDZ-NEPJUHHUSA-N	319.311	1.868	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CNC(=O)CCC(C)C)cc1	67105349	ISOOWQQGWBYQKQ-UHFFFAOYSA-N	319.405	1.562	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1c(C)nc2ccccc2c1C	65190197	LVRFFRGNOZJTFP-UHFFFAOYSA-N	300.362	1.744	50	20	DDGD	
O=C(COc1ccccc1Br)NNc1cccnn1	179380249	QVGUZRCCMDOPGZ-UHFFFAOYSA-N	323.150	1.761	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(Cl)s2)o1	176688860	ZDKQIIFXSOCFEJ-UHFFFAOYSA-N	320.779	1.926	50	20	DDGD	
COc1ccc(NNC(=O)Nc2ccnn2CC2CC2)nc1	123216423	JFCSBFVTZWNXER-UHFFFAOYSA-N	302.338	1.845	50	20	DDGD	
CCCCNC(=O)NNC(=O)C(C)(C)NC(=O)OC(C)(C)C	67235976	XTWXTKQSDBGENT-UHFFFAOYSA-N	316.402	1.420	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)CCOc2ccccc2)[nH]n1	129199908	ITBKWSVQDPTCIA-UHFFFAOYSA-N	302.334	1.202	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(C)n2C)c1	32205638	DQDAHJDVKPXMCS-UHFFFAOYSA-N	315.373	1.790	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1	32262507	XTLYUORCQLGZHA-AWEZNQCLSA-N	306.362	1.806	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccccc1O)N1[C@H](C)CC[C@H]1C	122028762	AQGPWVLVGGFJSX-UTUOFQBUSA-N	305.378	1.415	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CCc1cccc(OC(C)(C)C)n1	127455557	NKCPWLBJKNPOBK-UHFFFAOYSA-N	322.409	1.930	50	20	DDGD	
C[C@@]1(C(=O)NNc2ccnc(F)c2)Cc2ccccc2C(=O)O1	182416781	FVNWDAZNRYBYRB-INIZCTEOSA-N	315.304	1.836	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1nnc(C(F)(F)F)s1	183111683	WXFAOADYDJTFQA-UHFFFAOYSA-N	320.256	1.352	50	20	DDGD	
COC1(CNC(=O)NNC(=O)Cc2ccccc2F)CCC1	181509336	ILMUTOWNZVDOGR-UHFFFAOYSA-N	309.341	1.268	50	20	DDGD	
Cc1cc(F)ccc1S(=O)(=O)NNC(=O)NCC1CC1	49152679	GYDVFAKZNIYZPU-UHFFFAOYSA-N	301.343	1.037	50	20	DDGD	
CC[C@@H](OC1CCCCC1)C(=O)NNc1ncnc2nc[nH]c12	133546657	MDUJMIDFNYCXFF-LLVKDONJSA-N	318.381	1.924	50	20	DDGD	
Cc1cccc(C2(C(=O)NNC(=O)Cc3ccncc3)CC2)c1	81026568	STIMACBEKMVOHT-UHFFFAOYSA-N	309.369	1.812	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2Oc3ccccc3O[C@H]2C)o1	84373694	DQAXHWVXZMCEKF-HZMBPMFUSA-N	316.313	1.578	50	20	DDGD	
CS[C@H]1CCCCN([C@H](C)C(=O)NNC(=O)CC(C)C)C1	134591182	PWRLFXVKMVDVGU-OLZOCXBDSA-N	315.483	1.786	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCCc1cn[nH]c1C	45539873	SYRNMYBNPGEBAK-UHFFFAOYSA-N	315.377	1.603	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)c2ccc(C)o2)cc1	84069950	IEZCRGFWVPMWIE-UHFFFAOYSA-N	303.318	1.741	50	20	DDGD	
CC(C)NC(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)cc1	48381513	YQSMFLZOWRZJMA-UHFFFAOYSA-N	304.350	1.388	50	20	DDGD	
O=C(NNC(=O)C1(c2cccc(F)c2)CCC1)[C@@H]1CCCO1	42968606	ZUAUIGKZWBDHFV-ZDUSSCGKSA-N	306.337	1.574	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNc1ncccn1)c1cccs1	43144235	QMCKLQGJMDZIQF-SNVBAGLBSA-N	306.395	1.467	50	20	DDGD	
CCC(C)(C)CNC(=O)NNC(=O)COCc1ccccc1	190597288	RYNDQZQVVSQMNE-UHFFFAOYSA-N	307.394	1.970	50	20	DDGD	
Cc1cccc(C2(C(=O)NNC(=O)C(C)(C)O)CCCC2)c1	190053504	IGWPAAMMVKSPBI-UHFFFAOYSA-N	304.390	1.725	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC[C@H]2C[C@H]3CC[C@H]2C3)n1	245390357	LQLOZQQHQSIGLQ-MELADBBJSA-N	319.409	1.267	50	20	DDGD	
O=C(COc1ccc(F)c(Cl)c1)NNC(=O)C1CCC1	264771789	OOLZEJSLDJUPBH-UHFFFAOYSA-N	300.717	1.805	50	20	DDGD	
C[C@H](NC=C(C#N)C#N)c1cccc(S(=O)(=O)N(C)C)c1	263833223	DIYWHKUNFLJEIJ-NSHDSACASA-N	304.375	1.519	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)Cc1ccncc1)SC	266987691	ROVLEXUGOYRFJT-UHFFFAOYSA-N	324.450	1.876	50	20	DDGD	
O=C(CSC[C@@H]1CCCCO1)NNC(=O)Cc1ccncc1	266956943	KNXDOCMJCLVSJK-ZDUSSCGKSA-N	323.418	1.074	50	20	DDGD	
O=C(NCCOCC1CC1)NNc1ncnc2ccsc12	268824327	ARCVYPZXBALOCZ-UHFFFAOYSA-N	307.379	1.744	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)COc1ccccc1OC	268289737	RNNYDLFIHJKWBO-UHFFFAOYSA-N	319.361	1.208	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)C(C)(C)c2ccccc2)[nH]n1	264522696	BAACVCLJVLILBS-UHFFFAOYSA-N	300.362	1.711	50	20	DDGD	
Cc1cc(OC(F)F)c(C(=O)NNC(=O)NC2CC2)s1	265121037	NQBNYUDWPNHDKO-UHFFFAOYSA-N	305.306	1.764	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(CCC(=O)OC)cc1	273301132	BLAQRBIZRRUFBM-NSHDSACASA-N	321.377	1.991	50	20	DDGD	
CN1C[C@@H](NC(=O)NNc2c(F)cccc2Cl)CC1=O	274505401	JFDPPLLINVSKPO-ZETCQYMHSA-N	300.721	1.336	50	20	DDGD	
CSc1ccc(NC(=O)C(=O)NNC(=O)C2CCC2)cc1	274092662	UNPRBTUDOLPPDL-UHFFFAOYSA-N	307.375	1.295	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccnc1Br	276011670	IWSYSIHPEHOCSK-UHFFFAOYSA-N	316.159	1.542	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@]2(C)CCO[C@@H]2C2CC2)n1	364240727	RPCDMGZKFNVMCB-IUODEOHRSA-N	321.381	1.317	50	20	DDGD	
CC(C)[C@H]1C[C@H](CC(=O)NNC(=O)NCc2ccco2)CCO1	273085623	IAGZXDRNKRHJCM-TZMCWYRMSA-N	323.393	1.951	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1C(=O)NNc1ccc(C(=O)OC)cn1	279661922	CNRPMEAVCURDGQ-DGCLKSJQSA-N	305.334	1.293	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)c1ccccc1C)[C@@H]1CCCO1	279660149	CTPUYNXLQAQQQM-KBPBESRZSA-N	321.377	1.133	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(C)cc1O	276605015	RTDAJNDEIBDHDF-UHFFFAOYSA-N	310.350	1.251	50	20	DDGD	
Cc1cccnc1NNC(=O)C[C@@H](C)NC(=O)C1CCCC1	276714422	KSXHMUVQMAVJOR-GFCCVEGCSA-N	304.394	1.918	50	20	DDGD	
CO[C@@H]1CCCC[C@H]1NC(=O)NNc1nc2ccccn2n1	276907919	OMFKUSOWEFTZPV-GHMZBOCLSA-N	304.354	1.313	50	20	DDGD	
CCN1CCOC[C@@H]1C(=O)NNc1ccccc1C(F)(F)F	376818276	IIHIIQHDDZGRLH-GFCCVEGCSA-N	317.311	1.869	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNc2cccc(C(=O)OC)c2)C1	272850620	SCDKBIQZKSXYIP-GFCCVEGCSA-N	319.361	1.175	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)C(C)(C)C)cc1C	271342139	GLUWMNAAMWMSGP-UHFFFAOYSA-N	307.350	1.980	50	20	DDGD	
Cc1ncc2c(n1)CC[C@H](NS(=O)(=O)CCCCCl)C2	372501481	HRDCYQNIZGWNAW-LBPRGKRZSA-N	317.842	1.581	50	20	DDGD	
O=C(NNc1ncccc1F)[C@H]1CCN(CC(F)(F)F)C1	285941193	KJMZPJYCXWGGBG-QMMMGPOBSA-N	306.263	1.548	50	20	DDGD	
CC1(CNC(=O)NNc2ccc(-n3ccnc3)nn2)CCCC1	287125149	APUCKXKLFUWVKG-UHFFFAOYSA-N	315.381	1.869	50	20	DDGD	
COC(=O)NNC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O	372532754	QQBGBILFORBLCC-JTQLQIEISA-N	311.725	1.080	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1	371589570	HKZVLHFBVDVEAA-CYBMUJFWSA-N	319.361	1.316	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2CCO[C@]3(CCOC3)C2)n1	374488635	OXQMWODKPDJCAV-SWLSCSKDSA-N	321.381	1.058	50	20	DDGD	
C[C@H](CO)N(CC(=O)NNC(=O)c1ccccc1)C1CCCC1	287769941	MWABKHFDOGWFKL-CYBMUJFWSA-N	319.405	1.073	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncccc1F)C(=O)N1CCCC[C@H]1C	287703753	FXHKQHCWAMTNSU-GHMZBOCLSA-N	323.372	1.636	50	20	DDGD	
CCC[C@@H]1CCC[C@@H]1C(=O)NNC(=O)Cn1nc(C)cc1C	294183321	AOKAGZHJYGAFQO-KGLIPLIRSA-N	306.410	1.864	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCC[C@@H](c2nc(O)n[nH]2)C1	809384234	WIVHNIQBJJUDNZ-SECBINFHSA-N	322.818	1.039	50	20	DDGD	
CCN(C)C(=O)c1cccc(NC(=O)NNC(=O)CC2CC2)c1	806773501	QURXUSISMYNPTK-UHFFFAOYSA-N	318.377	1.731	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)C(C)(C)Cc2ccccc2)CC1	808031543	OANMTIMNHRFXPZ-UHFFFAOYSA-N	318.421	1.244	50	20	DDGD	
CC(C)c1cccc(C(=O)NNc2ccc(-n3ccnc3)nn2)n1	804953677	AXDRITJFHDTDKE-UHFFFAOYSA-N	323.360	1.938	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)COCc1cccnc1	807777529	NQPJXSFHLCAWGO-UHFFFAOYSA-N	316.317	1.958	50	20	DDGD	
CCC(C)(C)N[C@H](C)C(=O)NNc1ccc(-n2ccnc2)nn1	804952852	TUVPTHNNIYRWEP-LLVKDONJSA-N	317.397	1.272	50	20	DDGD	
C[C@@H](C(=O)NNc1ncccn1)[C@H]1OCCc2sccc21	293028171	QFAFFIAAUDVECB-BXKDBHETSA-N	304.375	1.931	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@H]1CCN2CCCC[C@@H]12	297496909	WQYWWZHIGFULLB-RYUDHWBXSA-N	311.336	1.613	50	20	DDGD	
Nc1ccc(C=NNC(=O)c2nnc(-c3ccccc3)o2)cn1	807966538	NOXZRLMXOPZNNJ-UHFFFAOYSA-N	308.301	1.478	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1[nH]nnc1-c1ccccc1	801607560	JISDTJQOPLJDML-UHFFFAOYSA-N	313.239	1.185	50	20	DDGD	
Cc1nn(C)c2ncc(C(=O)NNc3cccc(F)n3)cc12	804773650	YVSMYGKSEBCBPR-UHFFFAOYSA-N	300.297	1.568	50	20	DDGD	
CCS(=O)(=O)c1ccc(C(=O)NNC(=O)CC2CC2)cc1	294083825	IBKMUOXDFXIYLD-UHFFFAOYSA-N	310.375	1.041	50	20	DDGD	
CC[S@](=O)c1ccccc1C(=O)NNC(=O)[C@H]1CCCCO1	295631427	SNWVOGMJSXXYPF-IPQOISQHSA-N	324.402	1.144	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCCC(C)(F)F)c1	297259982	SREUZIUKZGLCEU-UHFFFAOYSA-N	314.336	1.742	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc2nc(S)oc2c1	294629596	LGIBHPXZXQZHQS-VIFPVBQESA-N	307.331	1.057	50	20	DDGD	
Cc1cc(C)nc(C(=O)NNC(=O)NCCc2cccs2)c1	801140362	KISKCOYMOKHUPA-UHFFFAOYSA-N	318.402	1.947	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCCc1ccc2c[nH]nc2c1	807242341	KFQSTBTXOAQXAC-UHFFFAOYSA-N	319.365	1.844	50	20	DDGD	
CC(C)[C@@H]1CC(=NNC(=O)C(=O)Nc2ccccn2)CS1	814869278	HESPVWDTWSKUOF-NSHDSACASA-N	306.391	1.654	50	20	DDGD	
COC(=O)Cc1occ(C)c1C(=O)NN=c1cc[nH]cc1Cl	810511925	MXDBQKUCNOSFBV-UHFFFAOYSA-N	323.736	1.531	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCc2ccnc(C)n2)c1	816017069	OEEVAQKMCSEJHY-UHFFFAOYSA-N	314.345	1.648	50	20	DDGD	
COCCC(COC)=NNC(=O)c1cc(Br)c[nH]1	812225074	ZWCSQPRCHOSBTH-UHFFFAOYSA-N	318.171	1.546	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@@](C)(OC)C2CC2)c1	812455190	BREQQQCTZNEMFD-INIZCTEOSA-N	321.377	1.070	50	20	DDGD	
C[C@H]1CCCC1=NNC(=O)Nc1ccc(S(N)(=O)=O)cc1	814967654	UBIYJDODVCISRR-VIFPVBQESA-N	310.379	1.632	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccc(C(=O)OC)[nH]2)c1	816016920	HDXXTRMPQPODLO-UHFFFAOYSA-N	317.301	1.345	50	20	DDGD	
CSCCNC(=S)NNC(=O)C1(C(F)F)CCCC1	813505086	NDSIGSQPVXSCNS-UHFFFAOYSA-N	311.423	1.670	50	20	DDGD	
CC(=NNC(=O)CC1CC1)c1cccc(OCC(=O)N(C)C)c1	814989472	LNRSWOZRIKPNTE-UHFFFAOYSA-N	317.389	1.794	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cccc(S(=O)(=O)C(F)F)c1	817514132	XVHOAFVTKXSGGV-UHFFFAOYSA-N	320.317	1.100	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)Cc1ccc(F)cc1Cl	817326150	NHNIGDFWYIGHOL-UHFFFAOYSA-N	315.732	1.870	50	20	DDGD	
CCN(CCNC(=O)NNC(=O)c1ccccc1O)C(C)C	726713864	MFKWEVYEOFQKBW-UHFFFAOYSA-N	308.382	1.067	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)Cc2nc(C)cs2)[C@]12CCCO2	819803103	HYOFQGZOUXCOML-IUODEOHRSA-N	323.418	1.824	50	20	DDGD	
C[C@@]1(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCCOC1	824784455	UFXZSFMNEWRERF-CQSZACIVSA-N	302.338	1.127	50	20	DDGD	
CC(=NNC(=O)C(C)(C)C)c1ccc(-c2nn[nH]n2)cc1F	823948090	CRYSFNCNFCHTIM-UHFFFAOYSA-N	304.329	1.892	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)N[C@@H]1C=CCC1	821091437	BUPQXDJAQQKXBZ-SNVBAGLBSA-N	320.305	1.023	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCc1ccc(C(N)=O)nc1	490881894	ZTKMVEVREBCRQW-NTUHNPAUSA-N	324.315	1.543	50	20	DDGD	
O=C(NNc1ccccc1)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F	821143243	KBUKEASUEMOFSE-VHSXEESVSA-N	322.308	1.353	50	20	DDGD	
O=S(=O)(CCCCl)NCc1ccnc(N2CCCC2)c1	726867911	FQGGLYRFXDJQLA-UHFFFAOYSA-N	317.842	1.730	50	20	DDGD	
CCN1CCO[C@H](C(=O)NNc2nc3c(C)cccc3s2)C1	828363150	ZRDSDLANEDBGLR-NSHDSACASA-N	320.418	1.769	50	20	DDGD	
CCN(CCO)NC(=O)c1c(C)nc(C(C)C)nc1SC	823846233	GGRUGBCYDCZMSH-UHFFFAOYSA-N	312.439	1.589	50	20	DDGD	
CN(C)C(=O)NNC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C	495858850	ZLHVOAVWUMLUMK-SNVBAGLBSA-N	314.386	1.078	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@@H]1CCCC[C@@H]1[C@H]1CCCO1	584911132	GKSLBHZWYLDJNR-ARFHVFGLSA-N	317.194	1.290	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=O)c2ccc3ccccc3n2)CC1	822114816	KJYQGPXMVQACRB-UHFFFAOYSA-N	311.341	1.755	50	20	DDGD	
C[C@@H]1[C@@H](CNC(=O)c2cc(B(O)O)ccc2F)CCC[C@H]1C	584981925	BPNIPJKTGLQUIB-GRYCIOLGSA-N	307.174	1.308	50	20	DDGD	
CCN(CCO)NC(=O)c1ccnc(N2CCC[C@H](C)C2)c1	823889165	KRHISYGYONSBFX-ZDUSSCGKSA-N	306.410	1.277	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)C2CC2)CC1)c1cccc2ncccc12	823161819	KRUVIHKZEFEAFR-UHFFFAOYSA-N	323.352	1.755	50	20	DDGD	
COCC1(CNC(=O)NNC(=O)OC(C)(C)C)CCCC1	496193273	BFKKTSMDKMCUIA-UHFFFAOYSA-N	301.387	1.932	50	20	DDGD	
CC(=O)N[C@@H](CCC(C)C)C(=O)NNC(=O)NCc1ccco1	823793053	JOQFXFUSHIEGII-ZDUSSCGKSA-N	324.381	1.051	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNC(=O)Cn2ccc3ccccc32)CCN1C	825751115	KGJGFQMPMSZEEY-TZMCWYRMSA-N	314.389	1.129	50	20	DDGD	
Cc1cc(Br)ccc1CC(=O)NN(C)[C@@H](C)CO	823939340	JGDPRGBRLUKZNZ-JTQLQIEISA-N	315.211	1.644	50	20	DDGD	
CC(C)[C@H](C)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C	496487944	BGANUULQMIHBBF-JTQLQIEISA-N	316.402	1.134	50	20	DDGD	
CSCc1cccc(CNCc2ccc(B(O)O)cc2)c1	585036185	BYTDMAHHWHKQLW-UHFFFAOYSA-N	301.220	1.519	50	20	DDGD	
Cc1nc2ccnn2cc1C(=O)NN(C)C(=O)OC(C)(C)C	495878219	WKHVODHVBWLQBK-UHFFFAOYSA-N	305.338	1.549	50	20	DDGD	
CC(C)[C@H]1CC[C@@H](C)CCN1C(=O)c1cc(B(O)O)ccc1F	584948266	JJKJFVXWSDKZRQ-MLGOLLRUSA-N	321.201	1.792	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(-c3nn[nH]n3)s2)nc(C)n1	822209458	JSGJERVMGIMIEJ-UHFFFAOYSA-N	316.350	1.092	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc3ccccc3n2)nn1	737763167	LQNTZXFDBRGEMC-UHFFFAOYSA-N	323.312	1.108	50	20	DDGD	
O=C(CN1CCSC1=O)NNc1nccc2sccc12	734247884	FQKVNVRPZHSROS-UHFFFAOYSA-N	308.388	1.908	50	20	DDGD	
CC(=NNC(=O)c1ncon1)[C@@H]1CCN(Cc2ccccc2)C1	901289090	AZORRQVMBCKHMT-CQSZACIVSA-N	313.361	1.697	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1ccccc1C(F)F	824528004	YQPGVJAYIVVLJJ-UHFFFAOYSA-N	313.304	1.756	50	20	DDGD	
Cc1nccn1CCCNC(=O)[C@@]1(C)C[C@@H]1Br	906355330	DUFQPWVQWNEGQK-JQWIXIFHSA-N	300.200	1.871	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)C[C@H]1C[C@H]2CC[C@H]1O2	836538436	AAKAEVOCAXQCKK-BPLDGKMQSA-N	318.373	1.561	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@@]1(C)CCCCO1	839482435	BQUKRWKZYADAKB-MRXNPFEDSA-N	321.377	1.214	50	20	DDGD	
CC(=NNC(=O)Cn1nc(C)cc1C)c1ccc(F)c(O)c1	901149207	ITKAPCWPLKQZQP-UHFFFAOYSA-N	304.325	1.885	50	20	DDGD	
C[C@H]1OC(=O)N[C@H]1C(=O)NNc1ccc(OC(F)F)cc1	496765709	YQFGEPKRHJEFLF-HZGVNTEJSA-N	301.249	1.228	50	20	DDGD	
CC[C@H](C)Oc1cc(CN2CC[C@H](B(O)O)C2)ccc1OC	585076234	KOQWGTMFEKODGH-JSGCOSHPSA-N	307.199	1.921	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)c1	905101452	OIIHLPXNEXYWSN-DAXOMENPSA-N	316.357	1.055	50	20	DDGD	
Cc1cccc(F)c1CNC(=O)NNC(=O)[C@@H]1CCCCO1	836324779	NAJBLPYHJCHYAH-ZDUSSCGKSA-N	309.341	1.534	50	20	DDGD	
CC(=NNC(=O)c1ccnc(N(C)C)c1)[C@@H]1C[C@H]2CC[C@H]1O2	834956694	ONHWYZDPSPLIHF-HZSPNIEDSA-N	302.378	1.821	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)C[C@H]1Br	907067714	JBBPDXWMLKXNQB-SFTQSGBHSA-N	310.191	1.934	50	20	DDGD	
CC(=O)OC1CCN(C(=O)[C@]2(C)C[C@@H]2Br)CC1	907115922	PFJCGJQDHADYTJ-CMPLNLGQSA-N	304.184	1.714	50	20	DDGD	
CC(CCN1C(=O)c2ccccc2C1=O)=NNC(=O)NC(C)C	730946916	URQUUZWWRUAASS-UHFFFAOYSA-N	316.361	1.756	50	20	DDGD	
COc1cc(C)cc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1C	831742168	VPLJSRQNASVFLZ-NEPJUHHUSA-N	321.377	1.890	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1OC	837308564	MHPAKYRRZACYLC-UTUOFQBUSA-N	320.345	1.032	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@]1(C)CC=CCC1	838186084	ZDZDIAKAHDKHTB-BLLLJJGKSA-N	310.394	1.858	50	20	DDGD	
C[C@]1(C(=O)NCCOc2ncccc2F)C[C@H]1Br	907087658	JCQRCDAFQISWPX-SKDRFNHKSA-N	317.158	1.889	50	20	DDGD	
O=C(c1ccnc(OC2CCCCC2)c1)N1CC[C@@H](B(O)O)C1	585066214	NHYJVGOGOJLGLQ-CYBMUJFWSA-N	318.182	1.482	50	20	DDGD	
CC(C)O[C@@H]1C[C@H](NCC(=O)NNC(=O)C(C)(C)C)C1(C)C	831359219	SRYYTRGREIYSHS-NWDGAFQWSA-N	313.442	1.362	50	20	DDGD	
O=C(CCc1ccccc1Cl)NNC(=O)[C@@H]1CCCCO1	833256432	NKLQQVVOEKBOAQ-ZDUSSCGKSA-N	310.781	1.989	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)NC(=O)NNc1ncc(F)cc1F	838694994	VXALIHMJVOUBCG-QMMMGPOBSA-N	310.308	1.351	50	20	DDGD	
COc1cc(OC)c(CCNS(=O)(=O)CCl)c(OC)c1	830429037	BJMGZYKSNBOIJH-UHFFFAOYSA-N	323.798	1.371	50	20	DDGD	
CCCn1nc(C(=O)NN=C2CCOC2)c2ccccc2c1=O	731923935	KSOPQNFWLFVSKK-UHFFFAOYSA-N	314.345	1.313	50	20	DDGD	
O=C(NCCOCC1CCCC1)NNC(=O)[C@@H]1CCCCO1	836671503	DKMRZZUDTIAENY-ZDUSSCGKSA-N	313.398	1.093	50	20	DDGD	
Cc1nc(CC(=O)NNc2ccc(Br)cc2C)n[nH]1	830813533	LIZAXCOOVAOBKH-UHFFFAOYSA-N	324.182	1.870	50	20	DDGD	
O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@@H](B(O)O)C1	585077330	RBEVNQQILYCOEA-SECBINFHSA-N	304.067	1.030	50	20	DDGD	
COc1ccc(CC(=O)NN(C)C[C@H](C)O)c(Cl)c1OC	910150970	XSOHECHQTWTJBI-VIFPVBQESA-N	316.785	1.244	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2ccccc2C(F)(F)F)c[nH]1	916998792	UWRXZMFFUFDTSI-UHFFFAOYSA-N	312.251	1.889	50	20	DDGD	
O=C(COc1ccc2ccccc2c1)NNC(=O)c1ncccn1	746108486	WQZVKFVGLQCANT-UHFFFAOYSA-N	322.324	1.470	50	20	DDGD	
O=C(CNc1ccccc1Cl)NNC(=O)[C@@H]1CCCCO1	833246709	PWQWGHXFAMBDRB-LBPRGKRZSA-N	311.769	1.468	50	20	DDGD	
O=C(NCc1ccc([N+](=O)[O-])cc1)NNC(=O)C1CCCC1	918097989	UMPZPFOFXCTFMF-UHFFFAOYSA-N	306.322	1.615	50	20	DDGD	
O=C(CCCc1c(F)cccc1F)NNC(=O)Cc1cc[nH]n1	847451038	BRODNGSZIYBACG-UHFFFAOYSA-N	322.315	1.401	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)c1cccn1C)C(=O)OC(C)(C)C	843520513	RXISWXTYJKWMQG-LBPRGKRZSA-N	323.393	1.400	50	20	DDGD	
COCCC1(C(=O)NNc2ccccc2S(C)(=O)=O)CC1	746240376	OIKPVGQFYVBBRZ-UHFFFAOYSA-N	312.391	1.350	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@@H](CC(C)C)OC)n1	841592922	SFRRQJOATMOPDM-LLVKDONJSA-N	311.386	1.481	50	20	DDGD	
O=C(CCCn1cccn1)NNC(=O)c1cccc(Cl)c1	747625974	XRLCGUBQBGZQFK-UHFFFAOYSA-N	306.753	1.778	50	20	DDGD	
Cc1cc(F)cc(NC(=O)NN(C)C(=O)N2CCNCC2)c1	841150330	CMXRKCFHQTWJGW-UHFFFAOYSA-N	309.345	1.128	50	20	DDGD	
CCN(CC)CCC(=O)NN=C(C)Cc1ccc(OC)nc1	841610869	NADKCVKDUGHBJC-UHFFFAOYSA-N	306.410	1.857	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)Cc1cccnc1)CC(C)C	841578213	KOUDEPXHXPLNNM-ZDUSSCGKSA-N	308.382	1.016	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccccc2-n2cccn2)n1	746634340	CKOSHDBFVULLLE-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
Cc1cc(C)c(C(=O)O)cc1C=NNC(=O)[C@@H]1CCO[C@H]1C	842550163	WGNVREBEWTWYQP-WCQYABFASA-N	304.346	1.877	50	20	DDGD	
CCOc1ccc(C(=O)NN=Cc2ccc(C)nn2)cc1OC	841612936	SPFHRWBGBITQSS-UHFFFAOYSA-N	314.345	1.956	50	20	DDGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)[C@H]1CCCN1C1CC1	842249754	PCWUZYYHURQUGA-GFCCVEGCSA-N	308.313	1.804	50	20	DDGD	
CN(CCO)c1ccc(C=NNC(=O)c2ccc(N)cc2)cc1	916265602	XZUNMAKJJDZTAU-UHFFFAOYSA-N	312.373	1.461	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@H]1CC12CCOCC2)c1ccccc1	748848895	APOMXDXDFORNIR-CQSZACIVSA-N	316.401	1.928	50	20	DDGD	
NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	848233880	SCMNXSLWYJNDPK-RQJHMYQMSA-N	303.149	1.343	50	20	DDGD	
Cc1cc(C)c(CC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(C)c1	843656231	AHLBIHUYJRFMDS-KBPBESRZSA-N	304.390	1.727	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1ccc([N+](=O)[O-])cc1	918000704	OWEKHVQXKFUHOL-UHFFFAOYSA-N	306.200	1.700	50	20	DDGD	
COC(=O)[C@H](NNC(=O)[C@H]1CCCCO1)c1ccccc1C	842151671	WWADTWBDVVBDRQ-ZIAGYGMSSA-N	306.362	1.399	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)N[C@@H]1CC[C@@H]2CNC[C@@H]2C1	842012750	AXTUJAOQOWIWMU-OUAUKWLOSA-N	309.801	1.749	50	20	DDGD	
COCC[C@H](C)CNC(=O)NNC(=O)COc1cccc(C)c1	840403273	UHBHBSWZVNHBAO-ZDUSSCGKSA-N	323.393	1.377	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(-c2ccccc2)no1	843648178	WGQQZTMBLNNHFQ-ZYHUDNBSSA-N	315.329	1.528	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	843978623	XCCDJPILFOKSPQ-BXUZGUMPSA-N	306.362	1.200	50	20	DDGD	
O=C(NNC(=O)[C@H]1Cc2ccccc21)c1ccc2c(c1)OCO2	742033697	SMASJRJUHCBNGY-ZDUSSCGKSA-N	310.309	1.516	50	20	DDGD	
Cc1nc(-c2ccc(C(=O)NNC(=O)c3ccncc3)cc2)n[nH]1	746092214	XCUIBYSTJWMRFT-UHFFFAOYSA-N	322.328	1.250	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)NCC[C@H]1CCNC1	841938186	JHIWSFRIVODENC-GFCCVEGCSA-N	324.812	1.213	50	20	DDGD	
COc1ccc2c(c1)OCC2=NNC(=O)Cc1cc(C)[nH]n1	749157597	AKZBIKITQGMCTQ-UHFFFAOYSA-N	300.318	1.182	50	20	DDGD	
C[C@]1(CNC(=O)N2CCO[C@H](C#N)C2)C[C@@H]1Br	856955342	LCFKLHQWJABQIZ-WCABBAIRSA-N	302.172	1.094	50	20	DDGD	
CCCN(C)c1ccccc1NC(=O)NNC(=O)CCCN	859764811	CKSFKWPPHMADOM-UHFFFAOYSA-N	307.398	1.424	50	20	DDGD	
C[C@@]1(CNC(=O)c2csc(CN)n2)C[C@H]1Br	857007146	GMBHZKGOZBPGED-XCBNKYQSSA-N	304.213	1.505	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NN=C[C@@H]1CCOC1	853375112	BIJVSXWTVMDGCQ-OUCADQQQSA-N	306.366	1.026	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccc(Cl)cc2O)nn1C	757752821	HNSUTCVXNGJOHD-UHFFFAOYSA-N	323.740	1.554	50	20	DDGD	
O=C(NC[C@@H]1CCCSC1)NNc1ncc(Cl)cn1	856904562	PGZGGUOJAPTKHA-QMMMGPOBSA-N	301.803	1.899	50	20	DDGD	
C[C@@](O)(CCc1ccccc1)C(=O)NNC(=O)CC(F)(F)F	855001080	UDMLOEUFMLVACS-CYBMUJFWSA-N	318.295	1.470	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)[C@@H]1COCCN1C1CCCC1	855465233	KNCWRSNZNZYIHP-ZDUSSCGKSA-N	324.812	1.822	50	20	DDGD	
CC(C)n1cncc1C=NNC(=O)CCCNC(=O)C(C)(C)C	853406479	FSOCUYAOQPJZMY-UHFFFAOYSA-N	321.425	1.857	50	20	DDGD	
Cc1noc(C)c1[C@H](C)N[C@@H](C)C(=O)NNC(=O)CC(C)C	754157878	ZRBJROGKALWXSF-ONGXEEELSA-N	310.398	1.524	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1ccc(F)c(F)c1	750938968	UXOMPACMDBJKHS-UHFFFAOYSA-N	307.256	1.438	50	20	DDGD	
C[C@H](N)C1CCN(C(=O)NC[C@@]2(C)C[C@@H]2Br)CC1	857105733	QUTCADRBRPDNBP-XHVZSJERSA-N	318.259	1.929	50	20	DDGD	
COc1cccc(OCCC(=O)NNC(=O)CC(F)(F)F)c1	855000755	OJTUHAYNUDYBPW-UHFFFAOYSA-N	320.267	1.564	50	20	DDGD	
C[S@](=O)C1(CNC(=O)NNc2ccc(F)c(F)c2)CC1	922357344	NUZCSODHOVZZHB-FQEVSTJZSA-N	303.334	1.502	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NNc1ncc(Cl)cn1	857356281	XUEQGLYHIWTPOA-SCZZXKLOSA-N	300.746	1.157	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cccc(C(C)=O)c2)nc1	759728479	FUFSJEZPFXYIPP-UHFFFAOYSA-N	313.313	1.828	50	20	DDGD	
Cn1nccc1CCNC(=O)NC[C@]1(C)C[C@H]1Br	856848131	CDXYSFXWOZBLEF-PWSUYJOCSA-N	315.215	1.435	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)C[C@H]1CSCCS1)C1CC1	752312974	JQGPTKQPZBWOTL-WPRPVWTQSA-N	319.521	1.519	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(OC2CCCC2)nc1	854922623	ODMZXXGHLKXVEE-UHFFFAOYSA-N	308.407	1.484	50	20	DDGD	
CCOC(=O)N1CC[C@H](NC(=O)NNc2cc(F)ccc2C)C1	854003074	YZCMNUQRGBRXKT-LBPRGKRZSA-N	324.356	1.991	50	20	DDGD	
Cc1ncc2n1CC[C@@H](C(=O)NNc1ccnc(Cl)c1)C2	855466863	ZHXIJYPSNUCKHW-SNVBAGLBSA-N	305.769	1.946	50	20	DDGD	
CC(=O)N1CCN(C[C@H](CBr)C2CC2)[C@@H](C)C1	859165922	NEGUQCVSAGUVLD-GWCFXTLKSA-N	303.244	1.960	50	20	DDGD	
CCO[C@@H](CC(=O)NNc1ccc(C(=O)OC)cn1)C(C)C	759730629	LSIDFGOYFNOVJB-LBPRGKRZSA-N	309.366	1.763	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@@H]1CCCN1C1CC1	863099900	MKPPUIRVNZDMHO-QMMMGPOBSA-N	301.259	1.432	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2cnn(C(C)C)c2N)c1	862479749	ZXNCRUOCCYGFBJ-UHFFFAOYSA-N	307.379	1.491	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2ccc(N)cc2)oc1C	767036013	AYZAXZPXFLANDJ-UHFFFAOYSA-N	301.302	1.721	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)CCc2ccccc2)cc1C(F)F	931349722	IRLVCMYNCBMJFA-UHFFFAOYSA-N	322.315	1.752	50	20	DDGD	
Cc1ccccc1NC(=O)C(=O)NNC(=O)c1ccccc1F	763556322	OIUBGVVHPYBXSK-UHFFFAOYSA-N	315.304	1.534	50	20	DDGD	
COCCn1nc(C(=O)NNc2cc(C)ccc2F)ccc1=O	760136882	JEZRDTCVTJQEKB-UHFFFAOYSA-N	320.324	1.094	50	20	DDGD	
Cc1cc(C[C@@H](C)NS(=O)(=O)CC(C)(C)CCl)n[nH]1	867334620	BRRBUYAXGFMYIO-SNVBAGLBSA-N	307.847	1.834	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)C(C)(C)O)c1C(C)C	768244912	OQEYNORKHGXPOH-UHFFFAOYSA-N	309.366	1.181	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1nnc(-c2ccncc2)o1	768058700	BCHSDZLZYYFJGU-QMMMGPOBSA-N	321.362	1.170	50	20	DDGD	
CC1(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)CC1	761446708	OWVOTCHJWAPFOF-UHFFFAOYSA-N	310.737	1.444	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C2CCN3CCC[C@@H]23)c1	765560464	RWZOOYVWHNWPEU-HNNXBMFYSA-N	303.362	1.658	50	20	DDGD	
COc1cc(Cl)c(NCc2ccc(B(O)O)cc2)cc1C	864038208	KUGWFSNQPWRGNK-UHFFFAOYSA-N	305.570	1.949	50	20	DDGD	
O=C(NN=C1CCS(=O)CC1)c1cc(Br)c[nH]1	761804815	RYEHEBCFUMSEBY-UHFFFAOYSA-N	318.196	1.406	50	20	DDGD	
CC(=O)NNC(=O)Nc1cnc(Cl)c(Br)c1	767897727	RERLSOFSYVSEQR-UHFFFAOYSA-N	307.535	1.670	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cc2cc(OC)ccc2o1	763358345	RIGWOKSTWFRGLM-LLVKDONJSA-N	320.345	1.943	50	20	DDGD	
CN1CCC(O)(CNC(=O)[C@H](Br)C(C)(C)C)CC1	768200989	KNNJKBFSEFVPPV-JTQLQIEISA-N	321.259	1.369	50	20	DDGD	
Cn1c(NNC(=O)c2ncc3n2CCCC3)nc2ccccc21	879947722	KYHAOHWJUSLSAN-UHFFFAOYSA-N	310.361	1.863	50	20	DDGD	
CS/C=C/C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	765310975	OSIKBBPWYVLIJI-VQHVLOKHSA-N	317.411	1.315	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@]2(C)CCNC2=O)c1	873756251	HDGKAXQKFKQXFV-OAHLLOKOSA-N	320.418	1.147	50	20	DDGD	
COc1cccc(O)c1C=NNC(=O)c1sc(N)nc1C	874123410	JYWHJXUEGDVQMD-UHFFFAOYSA-N	306.347	1.512	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc(F)c2cccnc12	779818304	YKUACZKNCQNTHV-UHFFFAOYSA-N	304.281	1.180	50	20	DDGD	
Cc1cccc(NNC(=O)NC[C@@H](C)Cn2ccnc2C)n1	875188425	JTXYXTWHDKUWNI-LLVKDONJSA-N	302.382	1.857	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(F)c1Cl)c1nncn1C	875098655	YJCHMGYLOMHOIN-ZETCQYMHSA-N	312.736	1.995	50	20	DDGD	
CC(=NNC(=O)CCc1ccccc1O)c1cnn(C)c1C	778541576	IQKBHADBZPGFFD-UHFFFAOYSA-N	300.362	1.907	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(C#N)ccc1OC(F)F	878589583	PXIARBDDTAHGIB-UHFFFAOYSA-N	314.292	1.774	50	20	DDGD	
CCC[C@@H](NC(=O)NNC(=O)C1CCNCC1)c1ccccc1	1118024851	JOFSOBHEJHVSHD-OAHLLOKOSA-N	318.421	1.858	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCc1cccs1	1118186380	DYQMMOSGXVMNEQ-JQWIXIFHSA-N	311.407	1.436	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccnc(OC(C)C)c2)n[nH]1	779928854	LHWHLKLYGLOMSC-UHFFFAOYSA-N	318.337	1.367	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1C#N)[C@H]1CCCOC1	779763672	SJQNFTARIFYDKJ-AWEZNQCLSA-N	301.346	1.856	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccnc(OC(C)C)c1	779928374	ILGIHNREUVSELU-UHFFFAOYSA-N	318.337	1.367	50	20	DDGD	
O=C(NC[C@@H]1CCC[C@H]1C1CC1)NNC(=O)C1CCOCC1	883689906	XJYOXXFGZQKHFK-KBPBESRZSA-N	309.410	1.570	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1nc(C)ccc1Br	887153521	YRHWPVJCUPGCSU-UHFFFAOYSA-N	324.178	1.717	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)C1CCOCC1)c1ccccc1	883062208	TWIUFYQFPJMWLD-AWEZNQCLSA-N	306.362	1.338	50	20	DDGD	
CC1(C)OCC(C)(C(=O)NNc2cnnc3ccccc23)CO1	775604948	UKXUCHDEDWMWFI-UHFFFAOYSA-N	316.361	1.862	50	20	DDGD	
CCN(CC)c1ccc(C=NNC(=O)NCC(=O)OC)c(O)c1	779816035	GKJYXZHDVBJPIK-UHFFFAOYSA-N	322.365	1.045	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)N[C@@H]1CCn2ccnc2C1	779666204	PNPNCQYNBUXLBG-SNVBAGLBSA-N	316.321	1.432	50	20	DDGD	
O=C(C[C@H]1CC(=O)N1)NNc1cc(Br)ccc1F	885149125	LJFGZZAJPQWYJW-SSDOTTSWSA-N	316.130	1.310	50	20	DDGD	
CC(C)(C)n1ccnc1SCC(=O)NN=c1cc[nH]cc1	781020837	GLWCNJJRPXGWQO-UHFFFAOYSA-N	305.407	1.690	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)[C@@H](OC)c1ccccc1	782243289	SYMRUEHNWHYUSW-UKRRQHHQSA-N	308.378	1.918	50	20	DDGD	
CC(C)c1cccc(OCC(=O)NNC(=O)C2CCOCC2)c1	883061029	GAPAMZNLUYSOJC-UHFFFAOYSA-N	320.389	1.763	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cc(C)cc(OC)c1O	884434707	UXFAGHYJELNAQW-NSHDSACASA-N	310.350	1.211	50	20	DDGD	
COc1ccc(NNC(=O)c2cnn(C)c2C(F)(F)F)nc1	781520894	IOUOUENTEGSCTF-UHFFFAOYSA-N	315.255	1.599	50	20	DDGD	
CN(NC(=O)CCCCCNC(=O)OC(C)(C)C)C(N)=O	780978721	XPTPRJLNTNTNAQ-UHFFFAOYSA-N	302.375	1.113	50	20	DDGD	
CN1CCc2ccc(NC(=O)NN=c3cc[nH]cc3)cc2C1=O	782054358	FSHDYFIJGZIIFW-UHFFFAOYSA-N	311.345	1.280	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccc(F)cc2)cc1O	789113578	AJRAHJLCQNXTPW-UHFFFAOYSA-N	302.305	1.843	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H]2CO[C@@H](C)C2)c1	784147005	WPAYWFSEMZUNPA-STQMWFEESA-N	306.362	1.255	50	20	DDGD	
CCOC(=O)C(F)(F)[C@@H]1CCCC(=NNC(=O)C(C)(C)O)C1	785465128	BORHVZRLDBWANG-SECBINFHSA-N	320.336	1.618	50	20	DDGD	
O=C(NN=Cc1cc(O)c(O)c(Br)c1)C(F)F	782236186	WKDMKLBHVBVPAX-UHFFFAOYSA-N	309.066	1.576	50	20	DDGD	
CN(CCO[Si](C)(C)C(C)(C)C)CC(=O)N1CCOCC1	788019022	ZLJDELCCRZPXQP-UHFFFAOYSA-N	316.518	1.799	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H](C(=O)NNC(=S)NC(C)(C)C)C1(C)C	899996509	WGPOEOQWIURXAE-UWVGGRQHSA-N	313.467	1.922	50	20	DDGD	
COc1ccc(NCC(=O)NN=Cc2cccc(OC)n2)cc1	790144199	KSQUAVCDYBZYNG-UHFFFAOYSA-N	314.345	1.661	50	20	DDGD	
CC(C)(C)n1cc(C=NNC(=O)CCN2CCCCCC2)nn1	790150983	BLXWZVXFKYYCAG-UHFFFAOYSA-N	320.441	1.749	50	20	DDGD	
Cn1ccc(CCC(=O)NNC(=O)CCc2ccccc2)n1	794258653	UOAWVGAQSPLNPE-UHFFFAOYSA-N	300.362	1.133	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(OC2CC2)cc1OC	791098275	HJSFYMKNZAPQIX-UHFFFAOYSA-N	321.402	1.531	50	20	DDGD	
CC(C)(C)n1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)nn1	790136879	XPBNIIATILJCLJ-UHFFFAOYSA-N	316.321	1.705	50	20	DDGD	
CC(C)(C)OCCCC(=O)NNC(=O)c1cccc(C#N)c1	796141153	SQIGQTAHTZASRX-UHFFFAOYSA-N	303.362	1.915	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C[C@H]2CCCOC2)cc1C	792796861	JZHFQLTZWPPLAU-CQSZACIVSA-N	320.389	1.646	50	20	DDGD	
CC(=NNC(=O)Cc1nc2ccccc2n1C)c1cnoc1C	799470288	CBRHDVZUHNDMDN-UHFFFAOYSA-N	311.345	1.953	50	20	DDGD	
CCc1csc(NC(=O)NNc2nc3ccccn3n2)n1	792317101	KIHUZEUPBFXQII-UHFFFAOYSA-N	303.351	1.897	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NOCC(F)F	792895808	WGZXLKMWWJDJQF-UHFFFAOYSA-N	301.293	1.536	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2cn(C)c3ccccc23)n1	794087609	QYWSFSPNLSYGBV-UHFFFAOYSA-N	322.368	1.885	50	20	DDGD	
COC(=O)C(=O)NN=C(C)CSc1ccccc1[N+](=O)[O-]	1319727647	AXBREDJBFOXKFS-UHFFFAOYSA-N	311.319	1.352	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cccnc2N(C)C)n1	1327091547	OKHPAZCPNZMYDH-UHFFFAOYSA-N	300.366	1.111	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@H]2Cc3ccc(F)cc32)c1Cl	1326879254	HMQLUXPRKRADDN-VIFPVBQESA-N	307.716	1.634	50	20	DDGD	
COc1ccc2cc(NC(=O)NNC(=O)CCO)ccc2c1	1322820343	SXWHXGXCGQLBRG-UHFFFAOYSA-N	303.318	1.384	50	20	DDGD	
C=CC[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C(=O)OCC	1322239455	RQLQFTMVVFWBBA-WVUXNXBLSA-N	314.341	1.923	50	20	DDGD	
Cc1[nH]c(C=NNC(=O)CCN2CCC(C)CC2)cc1C(=O)O	1325205014	DGAAPMNEZFHRNK-UHFFFAOYSA-N	320.393	1.593	50	20	DDGD	
CCSCc1cc(C(=O)NNC(=S)NC(C)C)no1	1320337732	XEYSQEBWMQYJGR-UHFFFAOYSA-N	302.425	1.445	50	20	DDGD	
C[C@@H](CC1CCCCC1)NC(=O)NNC(=O)C1CCNCC1	1325365137	BKEGJRVEJQIYBI-LBPRGKRZSA-N	310.442	1.675	50	20	DDGD	
CO[C@H]1CCC[C@H]1C(=O)NNC(=O)COc1ccc(F)cc1	1335443605	HEGRMXWGKFGTCL-OLZOCXBDSA-N	310.325	1.167	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@H](F)CC)cc1	1335396472	GVZAISDIASBYAQ-GXFFZTMASA-N	312.341	1.748	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@H]2CC[C@H](OC)C2)cc1	1330764009	YOPCGCBBWMYGIX-AAEUAGOBSA-N	322.365	1.598	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C1=NO[C@H](c2ccccc2)C1	1337742228	SYMPPIPSGBJABG-LBPRGKRZSA-N	306.391	1.408	50	20	DDGD	
CCON(CC)C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1331097374	JUXVQSNNVILIDV-LDYMZIIASA-N	307.188	1.076	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc(F)c(O)c(F)c2)cc1	1337944273	VQAYYMSBEJLIQP-UHFFFAOYSA-N	322.267	1.754	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ncoc1[C@@H]1CCCO1)C1CC1	1261746180	AYOOJLASYUYIKC-WPRPVWTQSA-N	324.406	1.434	50	20	DDGD	
CNc1ccc(C(=O)NNc2ccc(C(=O)O)cn2)cc1F	1606309874	BFBIBRZSXWTIJA-UHFFFAOYSA-N	304.281	1.718	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(C(F)(F)F)n(C)n2)nc1	1528144899	RQEKDDIIIKCUHL-UHFFFAOYSA-N	315.255	1.599	50	20	DDGD	
N#Cc1ccc(NNC(=O)Nc2cccc(CC(=O)O)n2)cc1	1601108632	NHZPEJPUYXEMAJ-UHFFFAOYSA-N	311.301	1.729	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1[nH]c(C)c(C(=O)O)c1CCC	1602902277	XNMJSAZJJHAKBH-UHFFFAOYSA-N	324.406	1.269	50	20	DDGD	
Cc1ccn2cc(C(=O)NNc3ccc(C(=O)O)cn3)nc2c1	1600596374	ANPCKGAJNOHLCH-UHFFFAOYSA-N	311.301	1.493	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cc(C(=O)O)ccc1C	1607361883	VBPNWDBONDZQTN-UHFFFAOYSA-N	317.305	1.640	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)c1cccnc1	1606856134	SERQNGGHBZHQNB-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
O=C(O)CCc1ccccc1C(=O)NN=c1cc[nH]cc1Cl	1608740863	XKXDCVGPQUFFJT-UHFFFAOYSA-N	319.748	1.931	50	20	DDGD	
CCC/C=C/[C@@H](O)C(=O)NNc1cccc(-c2nn[nH]n2)c1	1604157203	XOPVGUXGZBMYEM-WNPFHQFXSA-N	302.338	1.027	50	20	DDGD	
Cc1cc(C=NNC(=O)Cc2ccccc2F)[nH]c1C(=O)O	1600185230	JWUQZLKYZOJZIA-UHFFFAOYSA-N	303.293	1.853	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1ccn(CC(F)F)n1	1608484281	POPSUXUKADJSJT-UHFFFAOYSA-N	310.260	1.603	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H]2CCCO[C@@H]2c2ccnn2C)on1	1549510562	UDPHXVXOUZFJSP-JSGCOSHPSA-N	317.349	1.335	50	20	DDGD	
O=C(CCCc1cnn[nH]1)NNC(=O)c1ccc2[nH]ccc2c1	1577866277	NPXCQIVDIXFXBG-UHFFFAOYSA-N	312.333	1.070	50	20	DDGD	
CCCCCCCC[C@H](N)C(=O)NNC(=O)c1ccncc1	1577429923	BXWJMADGBIREJM-AWEZNQCLSA-N	306.410	1.921	50	20	DDGD	
CCC(C#N)(CC)C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1576484574	LXORCRLJVJZJMC-UHFFFAOYSA-N	300.326	1.035	50	20	DDGD	
CCOCc1nc(C)cc(NNC(=O)N[C@@H]2CCCN[C@@H]2C)n1	1578127501	YGKAPWWBDJBJAZ-VXGBXAGGSA-N	322.413	1.088	50	20	DDGD	
C[C@@H]1CCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)C[C@H]1C(=O)O	1589337216	SWXXAUYLFBCFDG-YFVDUCKESA-N	314.341	1.868	50	20	DDGD	
NCc1cccnc1NC(=O)NNC(=O)Cc1ccc(F)cc1	1580347088	KUZAKBDFRPUYMI-UHFFFAOYSA-N	317.324	1.075	50	20	DDGD	
N[C@@H](C(=O)NNC(=O)c1ccccc1F)c1ccc(F)cc1F	1580115166	NNTGNLVZFPPXCH-CYBMUJFWSA-N	323.274	1.565	50	20	DDGD	
C=CCC(=O)N1CCCC12CN(C(=O)CO[Si](C)(C)C)C2	1846376982	CTCPHBJVSIJHSQ-UHFFFAOYSA-N	310.470	1.617	50	20	DDGD	
CO[C@H]1C[C@@H](CNC(=O)NNc2cccc(C(=O)O)c2F)C1	1599325706	FSVNNKNTROMMLZ-DTORHVGOSA-N	311.313	1.575	50	20	DDGD	
O=C(C1CC1)N1CC2(CCCN2C(=O)[C@H](F)Br)C1	1845220524	XMXZAWSTRQYFIH-VIFPVBQESA-N	319.174	1.290	50	20	DDGD	
O=C(O)/C=C/c1cc(C(=O)NNC(=O)NCc2ccco2)co1	1594969473	ZCFHNLSEJCAABO-ONEGZZNKSA-N	319.273	1.115	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1	15342641	VUKFZVCJEMOSOL-UHFFFAOYSA-N	310.269	1.541	50	20	DDGD	
COCC(=O)N[C@H](C(=O)NNc1ccccc1Cl)C(C)C	158253779	KOBDWTLKMBUEKW-ZDUSSCGKSA-N	313.785	1.570	50	20	DDGD	
COCc1nc2n(n1)C[C@H](NC(=O)NNc1ccccc1)CC2	160862736	FHVAZLDVVDVOJT-GFCCVEGCSA-N	316.365	1.066	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(C1CC1)C1CC1	163260064	KUDVUIDFNIPSOJ-AWEZNQCLSA-N	316.357	1.410	50	20	DDGD	
CCO[C@@H](C)C(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	151118684	UUARIARMJWGHBT-QMMMGPOBSA-N	308.363	1.324	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2n[nH]c(=O)c3ccccc23)c1	152435901	OKTJFIRKRZPVKP-UHFFFAOYSA-N	305.297	1.552	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(OCC3CC3)cc2)[nH]n1	153137490	HQNFRFBWXGSKRR-UHFFFAOYSA-N	314.345	1.582	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CSc1nncs1	153740308	BTDIWEHGMIKSJL-UHFFFAOYSA-N	322.415	1.329	50	20	DDGD	
CC(C)(F)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1	155488601	IVQRENCMKAVSRB-UHFFFAOYSA-N	315.370	1.319	50	20	DDGD	
N#Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2)c(F)c1	157989094	RAJMSIQUGPISCF-UHFFFAOYSA-N	319.317	1.321	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC[C@H](CN2CCCC2)C1	866853904	JSKYQRWOPAUPBL-CYBMUJFWSA-N	322.902	1.999	50	20	DDGD	
C#CCN(CC(=O)NNC(=O)c1ccccc1)Cc1ccccc1	491126390	NSQUMQFLPMMFMS-UHFFFAOYSA-N	321.380	1.583	50	20	DDGD	
CCCCNC(=S)NNC(=O)CNc1cccc(OC)c1	7555952	KIWMDUIQCALPKP-UHFFFAOYSA-N	310.423	1.403	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc2c(c1)CCC2	8194485	OGFXGJXODMKSLV-UHFFFAOYSA-N	321.446	1.663	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cn1	24296055	LOKZCKXZKHRWTN-SNVBAGLBSA-N	318.308	1.153	50	20	DDGD	
COc1cc(C(=O)NNC(=O)NC(C)C)ccc1OC(C)C	9960700	KFDBPQWFXOUYDW-UHFFFAOYSA-N	309.366	1.835	50	20	DDGD	
CC(C)N(C)CCNC(=O)NNC(=O)c1cccc(N(C)C)c1	102063195	UROSUDKVKOQQAA-UHFFFAOYSA-N	321.425	1.037	50	20	DDGD	
Cc1n[nH]c(C(=O)NNC(=O)c2ccccc2)c1Br	54675414	GWSPWUYZLGDJJC-UHFFFAOYSA-N	323.150	1.555	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cc2cccc([N+](=O)[O-])c2)cc1	173332676	ZOIAAPVZPBEHGL-UHFFFAOYSA-N	324.296	1.470	50	20	DDGD	
CC(=O)NNC(=O)CCNc1ncc(C(F)(F)F)cc1Cl	174982765	IFVUUUVAIFQYRJ-UHFFFAOYSA-N	324.690	1.723	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cccnc1N1CCOCC1	61220191	WTNWJCFOOAHYLG-UHFFFAOYSA-N	322.365	1.088	50	20	DDGD	
Cc1ccc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1C	68742269	DBSAFTOSMCVXLG-CQSZACIVSA-N	310.419	1.409	50	20	DDGD	
CCCCNC(=O)NNC(=O)COc1ccc2c(c1)CCC2	64426411	WXLUZDGWNUVWAB-UHFFFAOYSA-N	305.378	1.685	50	20	DDGD	
Cc1[nH]c(=S)sc1CC(=O)NNc1ncnc2nc[nH]c12	173931099	NXLBWWIGKMVOPY-UHFFFAOYSA-N	321.391	1.466	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCC(C)(C)C[C@H](C)O)cc1	175560149	ICFHNUBFCFUPBO-LBPRGKRZSA-N	321.421	1.990	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc(-n2cncn2)c(C)c1	172814774	CAZWIBWTSHRMLG-ZSOIEALJSA-N	311.345	1.245	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccc[nH]1)c1ccc(OC)cc1	179592655	NRUOLXJRMVTFFL-ZDUSSCGKSA-N	301.346	1.978	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C)C1(N2CCOCC2)CCCC1	178969279	VRLYCXUZRIKMAD-SXWSKBOKSA-N	321.421	1.580	50	20	DDGD	
CCC[C@H](NC(=O)Cc1ccccc1)C(=O)NNC(=O)C1CC1	66370382	JDNIAUUTPRXNKB-AWEZNQCLSA-N	317.389	1.071	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2cn3ccccc3n2)s1	129688945	ZCKQDXVNGCQGPY-UHFFFAOYSA-N	314.370	1.708	50	20	DDGD	
Cc1ccoc1C(=O)NCCCNC(=O)NNC(=O)C(C)(C)C	126229645	ROJMFROCEMHXFY-UHFFFAOYSA-N	324.381	1.084	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cnn([C@H](C)C2CC2)c1	189828644	HDHMELWJIAAXTD-SECBINFHSA-N	317.353	1.801	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccoc2C)cc1C	72649393	QAWKTANUXHFYJY-UHFFFAOYSA-N	315.329	1.605	50	20	DDGD	
CC1CCN(CC(=O)NNC(=O)c2cccc(Cl)c2)CC1	70943482	GARHDQBBVDTVSQ-UHFFFAOYSA-N	309.797	1.833	50	20	DDGD	
CCOCC(=O)NNc1cc(CC)nc(-c2ccccn2)n1	127064108	BGNFXWCFIHFLSY-UHFFFAOYSA-N	301.350	1.581	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)nc1	181496036	YPIIJIVAACLEEN-UHFFFAOYSA-N	319.252	1.211	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)n1	181456370	DJTGBNIJWVVYSJ-UTUOFQBUSA-N	306.366	1.674	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)COc1cc(C)ccc1C	184203756	PZSKHTLXKDENDD-UHFFFAOYSA-N	322.405	1.892	50	20	DDGD	
O=C(CC1(O)CCCCC1)NNC(=O)c1cccc([N+](=O)[O-])c1	72793044	BPTPAFCOEDZGDM-UHFFFAOYSA-N	321.333	1.441	50	20	DDGD	
O=C(CCc1ccc2[nH]ccc2c1)NNC(=O)c1cccnc1	183417173	BJMVSBIGDSSBII-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
COC(C)(C)CNC(=O)NNC(=O)c1c(C)nc2ccccn12	75310157	WLRANBMFTRWYRS-UHFFFAOYSA-N	319.365	1.012	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNc2ccccn2)c(C)c1	181402185	XIWPOEMPVPWONS-UHFFFAOYSA-N	314.345	1.871	50	20	DDGD	
CC(C)n1ncc2cc(C(=O)NNC(=O)C(C)(C)C)cnc21	77219912	OPWYEXVXNYCMPF-UHFFFAOYSA-N	303.366	1.819	50	20	DDGD	
COCCCNC(=O)NNC(=O)C1(Cc2ccccc2)CCC1	134739915	BHQDSAJFRXBCBN-UHFFFAOYSA-N	319.405	1.766	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2cccc(F)n2)cc1	130249531	GMSRPOREERMHDO-UHFFFAOYSA-N	318.308	1.102	50	20	DDGD	
CCOC1CC(CC(=O)NNC(=O)CNc2ccccc2)C1	188125117	ASAXJNQYDUAAKE-UHFFFAOYSA-N	305.378	1.451	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H](C)CCc2cccn2C)n1	74745086	VZIBAPRHAJOCBW-NSHDSACASA-N	318.381	1.471	50	20	DDGD	
CC(=O)NNC(=O)CCCOc1ccccc1Br	48823374	QURNYORRJDIPGV-UHFFFAOYSA-N	315.167	1.775	50	20	DDGD	
COc1nccnc1NNC(=O)C[C@@H](C)c1c(C)noc1C	132141841	YGARXRBGIWYGHX-MRVPVSSYSA-N	305.338	1.727	50	20	DDGD	
COCCCNC(=O)NNC(=O)C1(c2cccc(C)c2)CCC1	139603410	DFEJWOYVBSJTQJ-UHFFFAOYSA-N	319.405	1.784	50	20	DDGD	
Cc1noc(C)c1CCC(=O)NNC(=S)N[C@H](C)C1CC1	83676673	LMEDGHBSSSLPCG-MRVPVSSYSA-N	310.423	1.518	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c(=O)c2ccccc12)c1ccccc1O	190452369	LTSHCNZRUBHKBB-UHFFFAOYSA-N	323.308	1.309	50	20	DDGD	
COc1ccccc1-n1ncc(C(=O)NNC(=O)N(C)C)c1C	195150986	AWOXXUYZFZPNDX-UHFFFAOYSA-N	317.349	1.105	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@]1(O)CCSC1	82968279	KCFWYCOUUDQCJM-CYBMUJFWSA-N	317.842	1.337	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1COc2ccc(F)cc2C1	90367758	UGHWHXDAGIXTBK-JTQLQIEISA-N	309.366	1.058	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(C(C)C)no1	94121418	FZHAQPVIXJQQAU-UHFFFAOYSA-N	302.425	1.270	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)NC2CC2)CCOCC1	143200231	XNDXGZVAGVZUMF-UHFFFAOYSA-N	317.389	1.536	50	20	DDGD	
CC(C)CCSCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	98100821	UCWYNUJRLAGHHG-GFCCVEGCSA-N	322.496	1.258	50	20	DDGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C\c2cnn(C)c2)cc1	255123305	NGFLLZHPEQVGGG-ZSOIEALJSA-N	323.356	1.668	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)c2ccccc2n1	269380410	HBPGAKCWNROSOI-HNNXBMFYSA-N	313.357	1.873	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@H](C)C(=O)NNC(=O)NC1CCCC1	266168292	VHSRIYJVPMSICW-JTQLQIEISA-N	321.425	1.489	50	20	DDGD	
CN(C)[C@H]1CCC[C@@H](NC(=O)NNC(=O)c2ccccc2F)C1	267374716	KPRUGPGDFSURSF-NEPJUHHUSA-N	322.384	1.643	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C(C)(C)C)c(Cl)n1	271351618	HFUKWTMBPFHYJX-UHFFFAOYSA-N	300.746	1.942	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(NC(C)C)nc1	274146145	YFBNJJUZDMULEC-UHFFFAOYSA-N	302.338	1.457	50	20	DDGD	
CCNC(=O)CCCC(=O)NNc1ccc(C(F)(F)F)nn1	270015479	BYCMUWVGHWERFR-UHFFFAOYSA-N	319.287	1.245	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2nc(-c3cccnc3)no2)CCO1	271902988	WZQDBUMVOVCAHE-UWVGGRQHSA-N	303.322	1.390	50	20	DDGD	
C[C@H](NC(=O)[C@@H](Br)C(C)(C)C)c1nncn1C	272616885	PQVXSBRFDHOINA-JGVFFNPUSA-N	303.204	1.802	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H](C(C)C)N(C)C)cc1	275203167	NGULBWPQLFHRTB-MRXNPFEDSA-N	321.421	1.361	50	20	DDGD	
CCOC(=O)C[C@@H](C)CNC(=O)NNC(=O)c1ccccc1C	270440016	FOLCXWJRWZXSPF-LLVKDONJSA-N	321.377	1.528	50	20	DDGD	
CSSCCNC(=O)N1C[C@@H](C)O[C@]2(CCOC2)C1	375115149	TWRNBOVBZKCENL-ZYHUDNBSSA-N	306.453	1.587	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)[C@H]1C[C@@]12CCOC2	372806392	UVSTZTJPBSDKHK-VQIMIIECSA-N	324.380	1.956	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2CCCC23CCOCC3)n1	374340173	GIESKALRSCXVPR-LLVKDONJSA-N	321.381	1.461	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NC[C@@H]1CCC(F)(F)C1	280711737	MJAXGWUTNAFLTG-LLVKDONJSA-N	312.320	1.390	50	20	DDGD	
CC(=O)N1CCC[C@@H](C(=O)NNc2nccnc2C2CCC2)C1	286854988	BKHARNJUJQXPCB-CYBMUJFWSA-N	317.393	1.446	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccn(-c2cccc(C#N)c2)n1	281314375	SAYCGVHLODRVLP-UHFFFAOYSA-N	311.345	1.551	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	282336091	AICQHXGCFSFXHJ-GFCCVEGCSA-N	321.377	1.144	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H]1C(=O)NNc1ccc(C(F)(F)F)nn1	285661422	DGBITLUZOPZOSH-RNFRBKRXSA-N	318.255	1.138	50	20	DDGD	
C=C(CBr)CN1CCC(C(=O)N(C)OC)CC1	291811807	NMZKELXDWAWZSD-UHFFFAOYSA-N	305.216	1.669	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1cc2n(n1)CCCC2	807033356	NBGAGICCGFWEJL-UHFFFAOYSA-N	314.349	1.005	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)c2ccncn2)cc1	802124157	DYHDSEAOCAQFKF-UHFFFAOYSA-N	300.322	1.009	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H](c1ccccc1)n1cccn1	299488896	HZKNFECUHSEPRO-CYBMUJFWSA-N	300.362	1.666	50	20	DDGD	
CC1(C)CN(CC(=O)NNC(=O)c2ccccc2)[C@@H]2CCC[C@H]21	293224536	YDCYWWKPBDAGRD-HUUCEWRRSA-N	315.417	1.958	50	20	DDGD	
COCC(C)(C)CNC(=O)NNC(=O)Cc1ccccc1F	291918756	RNBXACQNSQKTFR-UHFFFAOYSA-N	311.357	1.371	50	20	DDGD	
CCCc1ccc(N2C[C@@H](C(=O)NNC(C)=O)CC2=O)cc1	298418528	YKEXHYRWNKMKJL-ZDUSSCGKSA-N	303.362	1.159	50	20	DDGD	
CC(C)(O)CCNC(=O)NNC(=O)Nc1ccc(Cl)cc1	296722945	GCSQRZDDJFZSHG-UHFFFAOYSA-N	314.773	1.837	50	20	DDGD	
CC(C)(CCC#N)CNC(=O)NNC(=O)Cc1cccnc1	807593486	RWVKZWNXGIVKQE-UHFFFAOYSA-N	303.366	1.284	50	20	DDGD	
Cc1ccc(NNC(=O)c2cccnc2N2CCOCC2)cc1	298171030	SGJXUILVYCRKKS-UHFFFAOYSA-N	312.373	1.984	50	20	DDGD	
O=C(CCOC[C@H]1CCCO1)NNC(=O)Nc1ccccc1	801989290	NNASADPRGVKYLM-CYBMUJFWSA-N	307.350	1.425	50	20	DDGD	
Cn1cc(/C=C/C(=O)NNC(=O)Nc2ccc(Cl)cc2)cn1	802021960	ZSJWATCKSYGFQJ-FARCUNLSSA-N	319.752	1.940	50	20	DDGD	
C[C@H]1C[C@@H](c2cccnc2)N(CC(=O)NNC(=O)C(C)(C)C)C1	805750308	ZHJNLVPZYWSIJI-JSGCOSHPSA-N	318.421	1.658	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)C(=O)c1ccc(O)cc1	806811876	WVAUCHLPXXYOGO-UHFFFAOYSA-N	307.309	1.688	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2cc(F)cc(F)c2F)O1	296994650	IBUNXXZRFHRBDQ-WKEGUHRASA-N	317.267	1.824	50	20	DDGD	
O=C(NNC(=O)c1ccc(O)nc1)Nc1cc(F)cc(F)c1	802002783	BSUXLULRCOKJIR-UHFFFAOYSA-N	308.244	1.532	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(S(C)(=O)=O)c1)C(C)(F)F	293339130	BFCWMIFMKWVRLA-QMMMGPOBSA-N	306.334	1.825	50	20	DDGD	
CCCC[C@@H](NC(N)=O)C(=O)NNc1ccc(OCC)cc1	294215520	DUDDGXCNBGCQJO-CYBMUJFWSA-N	308.382	1.756	50	20	DDGD	
O=C(COCc1ccccc1)NNS(=O)(=O)C1=CCCCC1	296012364	QOVAYSPOUKAXTJ-UHFFFAOYSA-N	324.402	1.612	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)NCCCC(C)C	298471616	ZGUTZZLKKYOISX-UHFFFAOYSA-N	323.393	1.841	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)CCOC(C)C)c1	298353320	PLTHFNWQIPWWLE-UHFFFAOYSA-N	308.378	1.645	50	20	DDGD	
O=C(NNc1cccc(F)n1)Nc1ccc(-n2ccnn2)cc1	806251195	PPGYVIZEFCBOFX-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)[C@@]1(O)CCc2ccccc2C1	803111648	WTNYHIWUNIVGIZ-MRXNPFEDSA-N	317.776	1.520	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1c[nH]nc1[N+](=O)[O-]	801628817	MXDMWSSSJSRYSR-UHFFFAOYSA-N	301.184	1.492	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)OCCCCCO)cc(C#N)n1C	803269544	NYAFDAGGMYTCFA-ZSOIEALJSA-N	301.346	1.818	50	20	DDGD	
COC(=O)[C@H](C)n1cccc1C=NNC(=O)N=c1cc[nH]cc1	815004072	WQFFRWSCWFWVOH-NSHDSACASA-N	315.333	1.195	50	20	DDGD	
COc1ccc(C(=O)NNc2cnnn2C)cc1OC(F)F	816770165	MCUJMRDRQOYRGV-UHFFFAOYSA-N	313.264	1.182	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCc2c(O)cccc21)c1ccnnc1	817693101	ISNUVYAHRSOROM-ZDUSSCGKSA-N	312.329	1.063	50	20	DDGD	
CO[C@@](C)(C(=O)NN=c1sc2ccccc2n1C)C1CC1	812446137	OPHYYLDAOOCOQC-OAHLLOKOSA-N	305.403	1.987	50	20	DDGD	
COc1ccc(C=NNC(=O)N=c2cc[nH]cc2)c(OC)c1	814999017	HZFNRRAKOVYRJT-UHFFFAOYSA-N	300.318	1.676	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1ccc2ccccc2c1O	814760978	KFDJGDQJGYVWDS-UHFFFAOYSA-N	311.341	1.618	50	20	DDGD	
N[C@H](C(=O)NNc1nc(-c2ccc(Cl)cc2)no1)C1CCC1	817938121	DVVDRANMGGJILM-NSHDSACASA-N	321.768	1.961	50	20	DDGD	
O=C(COc1ccccc1O)NN=C1COCc2ccccc21	814951368	YZEFLIQIBWONOO-UHFFFAOYSA-N	312.325	1.822	50	20	DDGD	
COc1ccc(NNC(=O)c2cn(C)nc2C2CCC2)nc1	819931591	WCLSEZHINUPSLE-UHFFFAOYSA-N	301.350	1.848	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNc2nccc(OC)n2)cc1	810090709	URWDUAFOSVHDJU-UHFFFAOYSA-N	316.317	1.419	50	20	DDGD	
CCc1oc(/C=C(\C#N)C(=O)NCCCOC)cc1C(=O)OC	490944256	VRRSTXPIGSJDAO-DHZHZOJOSA-N	320.345	1.688	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H](C1CC1)C(F)(F)F	826809132	JSQJQSWYHVUEQM-CNUIFLNQSA-N	309.288	1.083	50	20	DDGD	
O=C(C[C@@H]1CC[C@H]2C[C@@H]12)NNC(=O)c1ccc2c(c1)OCO2	822192655	WHYODGBUAYWXIN-JBLDHEPKSA-N	302.330	1.613	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc2c(c1)C[C@H](C)O2	826753225	BAODPBLJJLDCDO-QMMMGPOBSA-N	300.318	1.116	50	20	DDGD	
O=C(NN=Cc1ccccc1-c1nn[nH]n1)c1ccccc1O	826444640	OGHJIHQYZDCMAE-UHFFFAOYSA-N	308.301	1.336	50	20	DDGD	
COC(=O)NNC(=O)c1ccccc1OCc1cscn1	495769336	HVMNGKLRQGHAHI-UHFFFAOYSA-N	307.331	1.723	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC1CCN(c2ncccn2)CC1	824408239	LYVROXYQUNBTNS-VAWYXSNFSA-N	301.350	1.006	50	20	DDGD	
COc1cc(Br)ccc1C(=O)NN(C)[C@H](C)CO	823965692	SIDNGJNEDXHKOQ-MRVPVSSYSA-N	317.183	1.415	50	20	DDGD	
Cc1ccc(O)c(C(=O)NNc2nc(-c3cccnc3)no2)c1	728075445	BZMZYKBCFXHVFM-UHFFFAOYSA-N	311.301	1.903	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCc1cccnc1Cl	823810108	HPTUCLYPYNZEBT-UHFFFAOYSA-N	314.773	1.035	50	20	DDGD	
CC1CCN(CCCNC(=O)/C(C#N)=C\c2cnn(C)c2)CC1	491163975	ZAWPGFALMRKGAB-YBEGLDIGSA-N	315.421	1.565	50	20	DDGD	
Cc1cc(Cl)cc(C)c1S(=O)(=O)NNC(=O)C(C)C	901586525	HIGSWOAVYNZSBQ-UHFFFAOYSA-N	304.799	1.922	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(N=c2cc[nH]cc2)cc1	491509828	UYOWHUCQHRDKHA-UHFFFAOYSA-N	300.318	1.638	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1ccc(O)cc1Cl	905442841	RHFRBDYAHSHFLA-UHFFFAOYSA-N	309.753	1.508	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)NOCC1CCC1	824021724	CFWZOILUEDMAST-UHFFFAOYSA-N	302.334	1.844	50	20	DDGD	
C[C@H](CNCc1ccccc1B(O)O)Oc1ccc(F)cc1	585026674	JPWSVENNNOQQOC-GFCCVEGCSA-N	303.142	1.063	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NN=c2cc[nH]cc2)CCN1C(=O)OC(C)(C)C	492508415	KMAVFVDUMZQJEY-DGCLKSJQSA-N	320.393	1.592	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccnc2)c(Cl)c1	730996929	BARUKQVCDCSMER-UHFFFAOYSA-N	305.721	1.818	50	20	DDGD	
Cc1ccc(F)c2c1C(=NNC(=O)c1ccccc1O)C(=O)N2	732710257	HYBDUROOMAWISI-UHFFFAOYSA-N	313.288	1.926	50	20	DDGD	
O=C(NCCOC[C@@H]1CCCO1)NNc1ncc(F)cc1F	838481208	XGTOPSVBFOOENS-JTQLQIEISA-N	316.308	1.182	50	20	DDGD	
COC[C@H](CNC(=O)NNc1ccc(C)cc1Cl)OC	838542418	SENGVUUDWUVEJY-JTQLQIEISA-N	301.774	1.936	50	20	DDGD	
Cc1nc(-c2ccccc2)[nH]c1C(=O)NNC(=O)c1cnn(C)c1	735471136	QPLVSONNPUWDHO-UHFFFAOYSA-N	324.344	1.193	50	20	DDGD	
CN(C)C(=O)O[C@@H]1CCN(C(=O)[C@]2(C)C[C@H]2Br)C1	908536988	KOSQXPYWAISYLE-KBVBSXBZSA-N	319.199	1.459	50	20	DDGD	
CCc1ccc(-c2cc(C(=O)N3CC[C@H](B(O)O)C3)no2)cc1	902551415	FURROKBZNSCQFE-ZDUSSCGKSA-N	314.150	1.593	50	20	DDGD	
CC1(C(=O)NNC(=O)C(C)(C)c2ccccc2)CCOCC1	731175302	RMVOSDPHWYRIJL-UHFFFAOYSA-N	304.390	1.928	50	20	DDGD	
Cc1ccncc1[C@@H](C)NC(=O)NNC(=O)[C@H]1CCCCO1	838534901	TZKSAOCYKYSCLI-DGCLKSJQSA-N	306.366	1.351	50	20	DDGD	
C[C@@]1(c2cccs2)C[C@@H]1CNC(=O)c1cccc(B(O)O)c1	584943942	HVLDLFLXUKHFBQ-MLGOLLRUSA-N	315.203	1.136	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc2c(c1)C[C@@H](C)O2	901195038	COAGKDFJACAXAI-LLVKDONJSA-N	317.389	1.765	50	20	DDGD	
CC[C@](C)(C=NNC(=O)c1nn(C)c(=O)c2ccccc12)OC	834926771	VYCAVDCBGDYEHM-MRXNPFEDSA-N	316.361	1.464	50	20	DDGD	
Cc1ccc(F)c2c1C(=NNC(=O)CC(F)(F)F)C(=O)N2	732713090	XHUUPPRHWUURSV-UHFFFAOYSA-N	303.215	1.859	50	20	DDGD	
Cc1cccc(OCC(=O)NN[C@@H](C(=O)O)c2ccccc2)c1	832972325	XVGOWFSMRSMQCL-MRXNPFEDSA-N	314.341	1.821	50	20	DDGD	
CC[C@H](C)C(=O)NN=Cc1cnc2ccc(-c3nn[nH]n3)cn12	736319466	KZAIZHAFRLTHMY-VIFPVBQESA-N	312.337	1.011	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@H]1CC12CCOCC2	836612107	IQHBYKQAMLSIHA-ZDUSSCGKSA-N	318.377	1.900	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H]1Cc1ccccc1	584930167	ZSUMURBASQIOPX-QGZVFWFLSA-N	309.174	1.214	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)nc(C)n1	736718549	MPWQJCRUMHCHHY-NSHDSACASA-N	305.382	1.184	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1	836787514	MSRQNQZAAVAAIO-QWHCGFSZSA-N	315.333	1.884	50	20	DDGD	
CC(=O)N[C@H](C)C(=O)NNC(=S)Nc1ccc(C)cc1C	913428417	VXGKUGBFVOBIAV-SNVBAGLBSA-N	308.407	1.146	50	20	DDGD	
C[C@H]1C[C@@H]1C(=O)NNC(=O)c1cc(Br)ccc1O	730592458	OWXHIRFMYKHONR-XPUUQOCRSA-N	313.151	1.572	50	20	DDGD	
O=C(NNC(=O)N[C@@H]1CCSC1)Nc1ccc2c(c1)OCO2	836331891	PLVFAOSJXJVMMR-SECBINFHSA-N	324.362	1.257	50	20	DDGD	
COC[C@@H](C)CC(=O)NNc1cccc(Br)n1	837211063	DLJTVAKWIYPLJH-QMMMGPOBSA-N	302.172	1.960	50	20	DDGD	
Cc1noc2ncc(C(=O)NNC(=S)N[C@@H](C)C3CC3)cc12	741861339	HTFCLTOEJRHFLD-ZETCQYMHSA-N	319.390	1.439	50	20	DDGD	
O=C(COC(=O)C[C@@H]1CC[C@@H]2C[C@H]12)NNC(=O)c1cccs1	838126883	SMXLDLBZVKPBIP-VWYCJHECSA-N	322.386	1.489	50	20	DDGD	
O=C(Cn1ccccc1=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	917213460	KZHCJRUMQOUYPE-UHFFFAOYSA-N	322.708	1.553	50	20	DDGD	
CCC(=NNC(=O)Cn1nnc(-c2ccccc2)n1)[C@@H]1C[C@@H]1C	841602937	IGBFSSQHKTUTOK-WCQYABFASA-N	312.377	1.878	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Cc1nnc(O)c2ccccc12	917180325	RVSROHUYLDMLLL-UHFFFAOYSA-N	302.334	1.071	50	20	DDGD	
CCCOc1ccc(C(C)=NNC(=O)C(N)=O)c(OCCC)c1	916274314	LORUMLFCQUFMRQ-UHFFFAOYSA-N	321.377	1.590	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)c1ncccn1	742226067	FGJNFDXJHXWYNQ-UHFFFAOYSA-N	306.325	1.634	50	20	DDGD	
CCN1CC[C@@H](OC(=O)/C(C#N)=C/c2cccc(OC)c2)C1=O	849657927	JIEQUHRYFQOOGO-BMQCOBNYSA-N	314.341	1.766	50	20	DDGD	
CC(C)(C)c1cccc(C(=O)NNC(=O)C(=O)N2CCCC2)c1	847410986	VYBPCFXPGONUCV-UHFFFAOYSA-N	317.389	1.368	50	20	DDGD	
CCC(=NNC(=O)c1csc(N2CCOCC2)n1)C1CC1	741162005	POMJRCWHAFQZNO-UHFFFAOYSA-N	308.407	1.886	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(C)c1	843648299	PYRBNJJLGIDMLJ-QWHCGFSZSA-N	306.362	1.255	50	20	DDGD	
CN(C)CC[C@H](N)C(=O)NN=C(c1ccccc1)c1ccccc1	846667014	KLUFUNVITCRHLL-KRWDZBQOSA-N	324.428	1.834	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ncnc3ccsc23)o1	747420800	XUZNQUAXFBMFBY-UHFFFAOYSA-N	303.303	1.140	50	20	DDGD	
CC1CC(NC(=O)NNc2ncc(Br)cn2)C1	847329102	GETMCQBAFWWYHP-UHFFFAOYSA-N	300.160	1.664	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1noc(-c2cccc(F)c2)n1	746103458	ODCKADALQGDKRR-UHFFFAOYSA-N	315.264	1.279	50	20	DDGD	
CC(C)O[C@@]1(C(=O)NN=C2CCCN3CCCC[C@@H]23)CCOC1	848412973	GXWRHNOCTDZFIA-RDJZCZTQSA-N	323.437	1.691	50	20	DDGD	
O=C(CCCOc1cccnc1)NNC(=O)c1ccncc1	742463646	SZYWHFMVCVXGEV-UHFFFAOYSA-N	300.318	1.097	50	20	DDGD	
CCc1cccc2c1NC(=O)C2=NNC(=O)[C@H]1CCO[C@@H]1C	842555491	LSXRDXDHLRGQGI-KOLCDFICSA-N	301.346	1.446	50	20	DDGD	
COc1cccc(-c2n[nH]cc2/C=C(\C#N)S(C)(=O)=O)c1	918713384	RFPUQGBJTZZZKY-NTUHNPAUSA-N	303.343	1.994	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cccc(Cl)n2)c1O	749736361	CNOJBZSHAASYOL-UHFFFAOYSA-N	321.720	1.524	50	20	DDGD	
Cc1nnc(-c2cccc(C(=O)NNC(=O)c3ccccn3)c2)o1	746091848	KZQFUAXLCVIYDZ-UHFFFAOYSA-N	323.312	1.515	50	20	DDGD	
CC(C)(CNC(=O)NNc1ncncc1Cl)OCC1CC1	841588670	BGIYZQZGMKMGMJ-UHFFFAOYSA-N	313.789	1.961	50	20	DDGD	
COCCOCC(C)=NNC(=O)c1ccc(O)c(Cl)c1	741164469	MPBJWYBOLZLZJE-UHFFFAOYSA-N	300.742	1.814	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1	919924678	SETXOVGTICRWOV-MGPQQGTHSA-N	312.458	1.729	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(-n2cccc2)cc1	843645865	INOXLDMLAWQPSI-WFASDCNBSA-N	313.357	1.663	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC(C(F)(F)F)CC1	744421195	XJMFYEMUOSVLEL-UHFFFAOYSA-N	309.332	1.454	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)NCC1CC1)C(=O)OC(C)(C)C	843774557	CRWQJSHIJOJHRV-LLVKDONJSA-N	313.398	1.341	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2cccc3cccnc23)cnn1C	747422530	LTHPTXRAJVETSC-UHFFFAOYSA-N	323.356	1.606	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccccn1	749855683	SFFGTLJUWKESAM-UHFFFAOYSA-N	320.692	1.718	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=C1CCN(c2ccccn2)CC1	842559276	UWVFGCQBWTXVTK-OCCSQVGLSA-N	302.378	1.579	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)CCn2ccccc2=O)o1	746522269	MXAXXTRRDHVESD-UHFFFAOYSA-N	315.333	1.365	50	20	DDGD	
CC(C)Nc1ncccc1C(=O)NNC(=O)c1cccc(C#N)c1	743335694	YQUKAAUQLUSZAB-UHFFFAOYSA-N	323.356	1.848	50	20	DDGD	
CC[C@](C)(CNC(=O)NNc1ccc(CC(=O)OC)cc1)OC	845232254	OSMQORDDGKTRMS-MRXNPFEDSA-N	323.393	1.843	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@@H](C)NC(=O)NNC(=O)c1cccc(C)n1	840424360	OPMWHZDJRYPURJ-BDJLRTHQSA-N	320.393	1.538	50	20	DDGD	
O=C(NNc1cccc(F)c1)c1cnc2n(c1=O)CCS2	748087328	UCIVQWOGCOYKAW-UHFFFAOYSA-N	306.322	1.245	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cccc2ccncc12	843774929	KPBPPQGCXPHTNY-UHFFFAOYSA-N	302.334	1.215	50	20	DDGD	
CCCNC(=O)NNC(=S)Nc1cccc(NC(C)=O)c1	920997601	BYBPOIPCOKDUHK-UHFFFAOYSA-N	309.395	1.556	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCCCN1CCCC1	750329348	SZXUTHZAZBHEEG-UHFFFAOYSA-N	318.421	1.436	50	20	DDGD	
Cc1nc(NC(=O)NC[C@]2(C)C[C@H]2Br)nn1C	856868256	KWMOSKHLDBZXON-XCBNKYQSSA-N	302.176	1.419	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1	858285296	VUDXRJJPTGKGFZ-WDEREUQCSA-N	310.423	1.483	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)CO[C@H]1CCCC[C@H]1C)C1CC1	855101101	PQOAWRPGMPKPLM-MDZLAQPJSA-N	313.467	1.876	50	20	DDGD	
C[C@@]1(CNC(=O)c2cnn(CCF)c2)C[C@@H]1Br	857388962	WTEGMULTCMUOJZ-ONGXEEELSA-N	304.163	1.756	50	20	DDGD	
COC(=O)N1CCC[C@H](NC(=O)NNc2ccc(C)c(F)c2)C1	853640791	BVZSDWKZJDMLHM-LBPRGKRZSA-N	324.356	1.991	50	20	DDGD	
CCC[C@H](O)CC(=O)NNC(=O)c1cc(-c2ccccc2)on1	750118788	ZMMMRBUWEPIKNY-LBPRGKRZSA-N	317.345	1.654	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CN3CCCN2CC3)ccc1Cl	928340706	AVMGRSYSPYQNJK-AWEZNQCLSA-N	308.813	1.481	50	20	DDGD	
O=C(NC[C@@H]1COCO1)NNc1ccc(OC(F)F)cc1	923859681	NCLVPGNJXYQRKU-SNVBAGLBSA-N	303.265	1.287	50	20	DDGD	
O=C(NCC1CC1)NN=Cc1cnc(N2CCOCC2)s1	755667826	DEASVJMFMUXXRV-UHFFFAOYSA-N	309.395	1.023	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccoc1C(C)C	854284627	SGZHEZHOYVBKNF-UHFFFAOYSA-N	313.423	1.891	50	20	DDGD	
CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)c1cccc(Cl)n1	857323140	CITUVLVINLWWQS-VIFPVBQESA-N	312.801	1.663	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCC(=NNC(=O)OCC(F)(F)F)C1	853429456	KFWOCUHSOXRFSG-QMMMGPOBSA-N	316.301	1.618	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C23CCC(CC2)C3)c1	753397776	CQUQDDZLWKMMNA-UHFFFAOYSA-N	317.389	1.835	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@@H](C(=O)O)C2)C[C@H]1Br	857101435	XKCQTOZEJUOGHQ-SOCHQFKDSA-N	305.172	1.276	50	20	DDGD	
O=C1N[C@H](C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])CCO1	858551672	LIPHHBXKDRMWBX-QMMMGPOBSA-N	314.685	1.190	50	20	DDGD	
CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)NNc1cccc(F)n1	852692952	DWJJKEOEIDAPBM-MEBBXXQBSA-N	324.356	1.969	50	20	DDGD	
C[C@@]1(CNC(=O)N[C@H]2CCCC[C@@H]2O)C[C@H]1Br	856951941	HTKZYAJZDPKPBT-GUDRVLHUSA-N	305.216	1.763	50	20	DDGD	
NC1(CNC(=O)NNC(=O)c2c[nH]c3ccccc23)CCCC1	851670924	BNRYOXMPIKXTKY-UHFFFAOYSA-N	315.377	1.383	50	20	DDGD	
C[C@]1(CN2C(=O)N[C@H](c3ccccn3)C2=O)C[C@H]1Br	857227084	FYMMJLPVMVMUBX-GIPNMCIBSA-N	324.178	1.848	50	20	DDGD	
CCc1cnccc1[C@H](C)NC(=O)NNC(=O)c1cn[nH]c1	858344076	JKPVGWGMLATGOH-VIFPVBQESA-N	302.338	1.072	50	20	DDGD	
CCn1ccnc1C=NNC(=O)COc1ccccc1OC	755505904	WVVQGRHWHKAJIN-UHFFFAOYSA-N	302.334	1.441	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC12CCC2)c1nnc(O)c2ccccc12	759690134	RVOATUBNUWZPNK-NSHDSACASA-N	312.329	1.287	50	20	DDGD	
Cc1nn(C)c2ncc(NC(=O)NNC(=O)CC(C)(C)C)cc12	755847670	LVGIEUABMYFCFT-UHFFFAOYSA-N	318.381	1.866	50	20	DDGD	
CC1(c2ncc(C(=O)NNc3ncccc3F)s2)OCCO1	861661687	HYTIRPDOJRAANS-UHFFFAOYSA-N	324.337	1.654	50	20	DDGD	
C[C@@H](NNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(F)(F)F	862306787	OMNGSVPUHCIIBL-RXMQYKEDSA-N	321.211	1.509	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@H]1CCc2n[nH]cc2C1	863097993	XLDHCWZMGIOYTH-LURJTMIESA-N	312.242	1.333	50	20	DDGD	
C[C@@H](C(=O)NN[C@@H](C)C(F)(F)F)N(C)C(=O)OC(C)(C)C	862323411	UWSUMOWTHHKEFS-YUMQZZPRSA-N	313.320	1.813	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1cnc2[nH]cnc2c1	764099572	BZWWIAXLSYVURQ-UHFFFAOYSA-N	322.288	1.160	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cnn2ncccc12)c1ccccc1	765338682	CCTFZFAWIHTOSW-CYBMUJFWSA-N	323.356	1.684	50	20	DDGD	
CC[C@@H]1CO[C@@H](C)CN1CC(=O)NNC(=O)c1cccs1	762543454	GXWQKGXSEDAJED-WDEREUQCSA-N	311.407	1.008	50	20	DDGD	
CCc1nn(C)c(CC)c1CC(=O)NNc1cccc(C)n1	862520857	MXXSMBFTDCUZFT-UHFFFAOYSA-N	301.394	1.934	50	20	DDGD	
Cc1cc(Cl)ncc1NC(=O)C(=O)NNC(=O)C1CCCC1	764069464	VGQLXDSQDXSAHS-UHFFFAOYSA-N	324.768	1.320	50	20	DDGD	
C[C@@H]1Oc2c(cccc2C(=O)NN[C@H](C)C(F)(F)F)NC1=O	862312124	FJWXQNPCNFBDCN-NKWVEPMBSA-N	317.267	1.591	50	20	DDGD	
O=C(c1ccccc1SC(F)(F)F)N1CC[C@@H](B(O)O)C1	864234232	OTJQJBOWCKZMFT-MRVPVSSYSA-N	319.113	1.987	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2cnn(CC(C)C)c2)c1	862477860	SWPBMGCUDJSWGG-UHFFFAOYSA-N	306.391	1.984	50	20	DDGD	
CC(C)[C@@H]1C(=O)NCCN1C(=O)[C@@H](Br)C(C)(C)C	767943743	QGURWHBMXUMGSF-NXEZZACHSA-N	319.243	1.779	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2nn(C)cc2Cl)n1	863896727	DZMWMUIFBVIZQX-UHFFFAOYSA-N	323.788	1.467	50	20	DDGD	
C[C@H](NNC(=O)CC1(N2CCOCC2)CCCC1)C(F)(F)F	862313368	GBFVWNGBOFBDBR-NSHDSACASA-N	323.359	1.593	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCC[C@H]1C(F)(F)F)c1ccnnc1	868931028	UWJZNBKRJWASIB-VHSXEESVSA-N	316.283	1.606	50	20	DDGD	
C[C@@H](NNC(=O)C[C@H]1C(=O)Nc2ccccc21)C(F)(F)F	862308533	FARIQLARXFFLAY-VXNVDRBHSA-N	301.268	1.684	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(OC)cc2O)nc1	760791255	UYSLGSBHTJSBDO-UHFFFAOYSA-N	317.301	1.339	50	20	DDGD	
C[C@H](NS(=O)(=O)CC(C)(C)CCl)C(=O)N1CCCC1	867225608	YSHVFROGMPZADU-JTQLQIEISA-N	310.847	1.182	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)NCC(=O)N1CCCC1	1117804072	GDBZRLDTLRERQI-UHFFFAOYSA-N	310.785	1.897	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1	762390772	KLAFRRZVCLEBAL-RTYFKUQISA-N	311.341	1.902	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cc(Cl)ccc2O)on1	768683836	DIQMFMMVMITUOL-UHFFFAOYSA-N	311.681	1.117	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)NC/C=C\C2CC2)c1	1117863756	BIKIEKJMNKXTSG-ARJAWSKDSA-N	309.391	1.682	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@]2(C)CC2(F)F)cn1	874954738	BTWZUKFBVMLWEA-NSHDSACASA-N	316.333	1.453	50	20	DDGD	
C[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)c2cccc(F)c2O1	775846373	VXGWEWQTMNIVOH-JTQLQIEISA-N	323.368	1.607	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cccc(N=S(C)(C)=O)c1	879865957	MRHIPNHUUJLALA-UHFFFAOYSA-N	312.395	1.854	50	20	DDGD	
COc1cccc(NC(=O)NNc2nccnc2OC)c1F	771246226	RZSMDLWXQOKIQI-UHFFFAOYSA-N	307.285	1.782	50	20	DDGD	
COC(=O)N(C)NC(=O)NCC(C)(C)N1CCC[C@@H](C)C1	875143049	WACPQMTUYFOFHP-LLVKDONJSA-N	300.403	1.409	50	20	DDGD	
O=C(O)c1cccc2c1C(=NNC(=O)[C@@H]1CCCCO1)CC2	872379364	VMIFETCASXURAX-ZDUSSCGKSA-N	302.330	1.720	50	20	DDGD	
CN1CCN(c2ccc(C=NNC(=O)c3cccnc3)cc2)CC1	771552712	ISTWZKDAWBHPSJ-UHFFFAOYSA-N	323.400	1.597	50	20	DDGD	
CC(C)NC(=S)NNC(=O)Cc1ccc(F)c(Cl)c1	1118856123	SWSWJVMTJANQEP-UHFFFAOYSA-N	303.790	1.925	50	20	DDGD	
CC(F)(F)C1(C(=O)NNc2ccc(S(C)(=O)=O)cc2)CC1	1118747582	IJHUZODLLJFHSN-UHFFFAOYSA-N	318.345	1.969	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)Nc2cscc2C)n1	773475048	VWRXBCDOXLZXCE-UHFFFAOYSA-N	305.363	1.545	50	20	DDGD	
C[C@@H](CBr)COC(=O)CS(=O)(=O)C(C)(C)C	770406964	GHUFABQJTCIWAH-QMMMGPOBSA-N	315.229	1.774	50	20	DDGD	
COC(=O)[C@H](C)n1cccc1C=NNC(=O)CC(F)(F)F	774587461	PYTAGKNWXFCJNA-QMMMGPOBSA-N	305.256	1.625	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1ccncn1	772994757	LLOQSZIIKDRHTO-SECBINFHSA-N	320.736	1.359	50	20	DDGD	
CC(=O)N(C)c1ccc(NC(=O)NNc2ncc(F)cn2)cc1	775573442	YLWLGPNOLOJDDJ-UHFFFAOYSA-N	318.312	1.747	50	20	DDGD	
CC(=O)Nc1nc(C(=O)NNc2nccnc2C(C)C)cs1	772834438	SPPLVTDGDXDQLB-UHFFFAOYSA-N	320.378	1.772	50	20	DDGD	
Cn1cnc(-c2ccc(OS(=O)(=O)CCCCl)cc2)n1	882112807	CYLGMMZANGCEHR-UHFFFAOYSA-N	315.782	1.820	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)CN1CCCCS1(=O)=O	880666823	UHFIECUBQVXCNO-UHFFFAOYSA-N	315.370	1.003	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccnc(CN(C)C)c2)o1	880613276	RSIUEDWAJKSXNA-UHFFFAOYSA-N	317.349	1.511	50	20	DDGD	
CN(C[C@](C)(O)c1ccccc1)S(=O)(=O)CCCCl	882277722	FEHITRFLXMUYCY-ZDUSSCGKSA-N	305.827	1.785	50	20	DDGD	
Cc1ccc(F)cc1C(=O)C(=O)NNC(=O)c1ccccc1F	781557549	RXDGGSZDSQFWNZ-UHFFFAOYSA-N	318.279	1.917	50	20	DDGD	
COC(=O)CCc1nc(COC(=O)/C(C#N)=C\C2CC2)no1	786667623	ABJRPCVWUGJGKZ-POHAHGRESA-N	305.290	1.078	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)Cc2cncs2)cn1	782677935	BXFKMDGHSMBXLG-UHFFFAOYSA-N	323.403	1.107	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@H]2C=CCC2)c(OC)c1	883479778	ITSYJZIJGOOSSX-NSHDSACASA-N	319.361	1.614	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cccc3c2OCO3)c1	780796137	ZMGQLLYEAUKIIV-UHFFFAOYSA-N	314.297	1.959	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccc(F)cc1OC)N1CCCC1=O	788192677	IPHTWNLHSUSMHK-LBPRGKRZSA-N	309.341	1.678	50	20	DDGD	
CC1=NO[C@](C)(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)C1	1120649462	UHLLEPSTIOLXDK-HNNXBMFYSA-N	319.365	1.460	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=S)NC2(C)CC2)cc1C	789162467	SCSMKTPWYJQMBU-UHFFFAOYSA-N	307.419	1.730	50	20	DDGD	
C=CCCCCCC(C)=NNC(=O)[C@@H](C)NS(C)(=O)=O	789004578	UOZVLXFDJNDKJB-GFCCVEGCSA-N	303.428	1.553	50	20	DDGD	
CSc1ccc(CCC(=O)NNc2nnc(C)c(O)n2)cc1	891961128	XBZCGPSDZWQUDD-UHFFFAOYSA-N	319.390	1.683	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H]2[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)nc1	899660908	DEGMQMUXSFUJED-BFSVRSTQSA-N	306.369	1.790	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCc1cn2c(n1)CCCC2	791013097	ANXAVCLACKMEIK-UHFFFAOYSA-N	314.393	1.792	50	20	DDGD	
CC(C)[C@H](C)C(=O)NNc1ccccc1S(=O)(=O)N(C)C	795181786	OZESZMXGMXVVCX-NSHDSACASA-N	313.423	1.672	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(Cl)c(F)c(C(=O)OC)c1	792504535	OLODMLNMAUNIOA-UHFFFAOYSA-N	317.704	1.828	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCc2ccc(C)o2)n1	792803552	BWQDOPMJSFXPHL-UHFFFAOYSA-N	302.334	1.478	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(C#N)o1	794196308	QAOHLGKHQKMPPY-SECBINFHSA-N	317.276	1.519	50	20	DDGD	
CNC(=O)NCC(=O)NNC(=S)Nc1ccccc1C(C)C	792491404	WRJZFFZIJHJVJK-UHFFFAOYSA-N	323.422	1.057	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H](C)n2cnc3ccccc32)n1	794075101	LBKKHIJBEKNCBO-GFCCVEGCSA-N	323.356	1.762	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CCCOc1ccc(F)cc1	1318144580	WSAHOVDCTGFEPP-UHFFFAOYSA-N	313.398	1.888	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccc(F)cc2C1)C1CCCC1	1319787979	UETSUWGYRACSIT-LBPRGKRZSA-N	306.337	1.714	50	20	DDGD	
CCOCC(=O)NNC(=O)NC1CCC2(CCOCC2)CC1	1319079880	ZEWWWEZUZVBGGL-UHFFFAOYSA-N	313.398	1.093	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H]1CCC(C)(C)c2ccccc21	1322252957	GISOQZSOHLIBMB-GFCCVEGCSA-N	319.361	1.303	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)/C=C/c2cccc(O)c2)cc1	1329303140	JFSCLXIGXHZBQC-BJMVGYQFSA-N	312.325	1.875	50	20	DDGD	
CNC[C@@H](C)CNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	1328842729	VQBQQUMPLJKZKT-LSCVPOLPSA-N	303.244	1.912	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1c[nH]nc1-c1ccc(Cl)cc1	1320603675	RLBKOOWUTRJGGU-UHFFFAOYSA-N	306.753	1.951	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@@H]2CCCCC2(F)F)c1Cl	1330576123	PTXHEYXLYKATLQ-LURJTMIESA-N	305.716	1.981	50	20	DDGD	
CC(C)CC(=O)N1CCCC[C@H]1C(=O)NN=c1cc[nH]cc1	1346519385	JFAGBUDTHJEMAK-AWEZNQCLSA-N	304.394	1.374	50	20	DDGD	
C[C@]1(NC(=O)NC[C@]2(C)C[C@H]2Br)CCOC1=O	1346448110	PJOROLMMLOBINS-GGVZMXCHSA-N	305.172	1.165	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)N[C@H]1CCOC1=O	1346713046	XPVSIXZLLRSAQK-VIFPVBQESA-N	301.249	1.230	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1ncnc2ccsc12	1606528357	BLHSURYKYIIKOJ-UHFFFAOYSA-N	315.314	1.541	50	20	DDGD	
CCNC(=O)NN=C1CCCCc2cc(-c3nn[nH]n3)ccc21	1604355362	UBIJQTYDTHIYNY-UHFFFAOYSA-N	313.365	1.616	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2oc(C(=O)O)cc2C)cc1	1607206256	OWLMGLOLXAJCLM-UHFFFAOYSA-N	318.285	1.370	50	20	DDGD	
C#CCSCCNC(=O)NNc1ccc(CC(=O)O)cc1	1602737929	AACMBVQMTYWCAZ-UHFFFAOYSA-N	307.375	1.306	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@H]2Cc3ccccc3O2)ccc1F	1602286972	WPIOMJVJBFCWMK-CQSZACIVSA-N	316.288	1.971	50	20	DDGD	
O=C(NC[C@H]1C[C@H]1C(=O)O)NNc1cccc(F)c1Cl	1608460743	JDDHQKRQNLDEST-RNFRBKRXSA-N	301.705	1.826	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)Nc1cccc(C(=O)O)c1	1601558451	VGQLQXBLPRXFMM-UHFFFAOYSA-N	307.697	1.977	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@H]2CCCN2C(=O)C2CC2)c1	1602447343	CJJQVXWNVRSKSI-ZDUSSCGKSA-N	317.345	1.229	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)c1ccncc1	1609559267	RXMIDMDPXXKXKP-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
CC(C)[C@H](C(=O)O)C(=O)NNC(=O)c1ccc2ccccc2n1	1602970503	WEXMNGNTAUOKSD-ZDUSSCGKSA-N	315.329	1.353	50	20	DDGD	
O=C(C[C@H]1Cc2ccccc2O1)NNc1ccc(C(=O)O)cn1	1601258972	NMJHPQMTCMFDHN-GFCCVEGCSA-N	313.313	1.617	50	20	DDGD	
O=C(O)[C@@H]1CCN(S(=O)(=O)CCCCCl)[C@@H]2CCC[C@H]12	1608634742	GAOJKXNZIARXSS-IJLUTSLNSA-N	323.842	1.910	50	20	DDGD	
Cc1nc(CC(=O)NNc2cccc(F)c2C(=O)O)cs1	1610554542	FWTJFQSLRFQQTN-UHFFFAOYSA-N	309.322	1.975	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cnc3n2CCCC3)cc1F	1610835701	FQKQPDHCSHAITR-UHFFFAOYSA-N	318.308	1.814	50	20	DDGD	
N#Cc1cccc(OCC(=O)NNc2ccc(C(=O)O)cn2)c1	1610632896	ZRVJSONYQCPZND-UHFFFAOYSA-N	312.285	1.174	50	20	DDGD	
O=C(NN=CCCc1ccccc1)[C@@H]1CN2CCC[C@H]2CO1	1549314200	HSQZJXMAPXLCTR-HOTGVXAUSA-N	301.390	1.584	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C2=CCCNCC2)c1	1574765189	APZWODQTOQEIFK-UHFFFAOYSA-N	314.414	1.295	50	20	DDGD	
C[C@@]1(CC(=O)NNC(=O)NC2CCNCC2)CC1(Cl)Cl	1576501932	INYNPDFZHSUACV-LLVKDONJSA-N	323.224	1.043	50	20	DDGD	
CC#CC[C@H](N)C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	1574973605	XBYNMOYWKRCZAB-JQWIXIFHSA-N	319.430	1.375	50	20	DDGD	
CC[C@@H](C)C[C@@H](N)C(=O)NNC(=O)Cc1ccc(Cl)cc1	1576982901	MSIGMIJQTOCREF-ZWNOBZJWSA-N	311.813	1.793	50	20	DDGD	
C[C@H](Sc1ccccn1)C(=O)NNc1ncccc1C(=O)O	1589172750	NJVXWIOAPDBRDP-VIFPVBQESA-N	318.358	1.799	50	20	DDGD	
COCCCC(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843361441	HINWIYLKENRBNT-LLVKDONJSA-N	306.765	1.151	50	20	DDGD	
O=C(/C=C\c1ccc(C(=O)O)o1)NNc1ncc(F)cc1F	1594672997	UDXJWHJYXJBJGM-RQOWECAXSA-N	309.228	1.808	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@H]1CCc2cccc(O)c21	1595261846	KLYPAXRSFIZTQG-JTQLQIEISA-N	313.313	1.659	50	20	DDGD	
O=C(O)c1cccc2c(C=NNC(=O)C3CCOCC3)c[nH]c12	1776103096	POBZDEMYRISAIW-UHFFFAOYSA-N	315.329	1.743	50	20	DDGD	
CC[C@@H](CC(=O)NNC(=O)C(=O)Nc1ccccn1)C(C)C	152102452	VQRCIBQPGMPVBY-NSHDSACASA-N	306.366	1.240	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCc2ncccc2F)cc1	154826546	NKHOEOMFCDJVAW-UHFFFAOYSA-N	313.292	1.237	50	20	DDGD	
O=S(=O)(CBr)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2	363700200	MMVLZIJALKKONL-OPRDCNLKSA-N	324.240	1.606	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CCOCc2ccccc2)c1	103401002	VTIAESLRCZHIMO-UHFFFAOYSA-N	323.352	1.926	50	20	DDGD	
CC(=O)c1csc(C(=O)NNC(=O)Cc2ccncc2)c1	175807027	NIKSMTSDQIGQLQ-UHFFFAOYSA-N	303.343	1.349	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNC(=O)c2cccc(C#N)c2)[nH]n1	103437037	QWGUNVJHUXBKCQ-UHFFFAOYSA-N	311.345	1.654	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNc1ccc(C(=O)OC)cn1	179788476	IAPDZGJNESGSIL-LBPRGKRZSA-N	306.366	1.186	50	20	DDGD	
CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)NNC(C)=O	66278738	HAFMVVPSRQKYEK-CYBMUJFWSA-N	323.418	1.014	50	20	DDGD	
CCCn1nc(C)c(/C=C(\C#N)C(=O)NCCCOC)c1C	178029186	XZKSWZAAGTWUSS-GXDHUFHOSA-N	304.394	1.970	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2cc(F)ccc2O)c1	176930581	HBLUSMLBZAGZAE-UHFFFAOYSA-N	318.304	1.680	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2cc(C(C)C)no2)n1	114605421	QXOIQAJIPDBCNS-UHFFFAOYSA-N	306.326	1.423	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCC[C@H](O)COC)cc1	179291608	CZIBPKQCAKGIAJ-IPJDOKCGSA-N	318.373	1.506	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc2ccccc2oc1=O	64426438	NYLOOZXDVCWFAG-UHFFFAOYSA-N	303.318	1.537	50	20	DDGD	
O=C(/C=C/C1CCOCC1)NNC(=O)Cc1ccccc1F	112177366	DYNOCQGUBULGOU-AATRIKPKSA-N	306.337	1.498	50	20	DDGD	
CCNC(=O)NNC(=O)c1cn(CCOC)c2ccccc12	65189188	VTYNIDOTLLVUKF-UHFFFAOYSA-N	304.350	1.252	50	20	DDGD	
CSc1ccc(C(=O)NNC(=O)CNc2ccccc2)o1	112392824	VPBIMGVPASSORH-UHFFFAOYSA-N	305.359	1.875	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)Cc1ccccc1F	171606468	LVRTWJLLSQCHJZ-UHFFFAOYSA-N	318.304	1.300	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccc2ccc(Cl)cc2n1	176287395	RFLHIUXBVFAORK-UHFFFAOYSA-N	306.753	1.211	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)nn1	123361640	BJBJXGIBSXXKIH-DRZSPHRISA-N	303.366	1.369	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)NNc1ccc(Cl)cc1	120158123	NOKWVDVVBBTVAX-UHFFFAOYSA-N	304.799	1.854	50	20	DDGD	
O=C(NNc1ccccn1)c1ccn(-c2ccccc2[N+](=O)[O-])n1	181159355	HFTSGIQLXCCBMI-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
Cc1cc(NNC(=O)Cn2nc(C)c(Cl)c2C)nc(C)n1	128788796	BVGJIWWVADAQNM-UHFFFAOYSA-N	308.773	1.703	50	20	DDGD	
CC[C@@H](C)[C@H](C)NCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	183087971	STEZHWFCEYTSOK-MNOVXSKESA-N	322.365	1.380	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2c(C)nc3ccccn23)no1	78263378	PUTGJOOKDJJNMW-UHFFFAOYSA-N	314.305	1.406	50	20	DDGD	
CCc1nc(C)c([C@H](C)N(C)CC(=O)NNC(=O)C2CC2)s1	121986080	MFUBJJPFZIXGHL-JTQLQIEISA-N	324.450	1.564	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(C(=O)N(C)C)cc1	183022546	DPHZUDYSQDDRRV-SNVBAGLBSA-N	306.366	1.587	50	20	DDGD	
C[C@H](Sc1nnnn1C1CC1)C(=O)NNc1ccncc1	183018102	GMDWMYZXCLLNRO-QMMMGPOBSA-N	305.367	1.027	50	20	DDGD	
COc1ccc(OC)c(CC(=O)NNc2ccnc(F)c2)c1	182435188	CUYKFQHFONGCBD-UHFFFAOYSA-N	305.309	1.924	50	20	DDGD	
CCc1n[nH]c(=O)c(C(=O)NNc2c(F)cccc2F)c1CC	129075473	OKOZYTQXWYJBDX-UHFFFAOYSA-N	322.315	1.930	50	20	DDGD	
C=CCOc1cccc(NC(=O)C(=O)NNc2ccccn2)c1	181420091	IGCJSISCPHBILT-UHFFFAOYSA-N	312.329	1.728	50	20	DDGD	
Cc1cc2cc(C(=O)NNC(=O)C(=O)NC(C)C)oc2cc1C	79330568	MKJWLRNNDMMELG-UHFFFAOYSA-N	317.345	1.335	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2c(N)cccc2[N+](=O)[O-])o1	181174158	NAWNPMFGKSYVGC-UHFFFAOYSA-N	304.262	1.153	50	20	DDGD	
C[C@H](NC(=O)c1cccs1)C(=O)NNC(=O)c1ccccc1	71817587	OBMBHIPPEDROFS-JTQLQIEISA-N	317.370	1.328	50	20	DDGD	
C[C@@H]1C[C@@H](CC(=O)NNC(=O)Cc2cc[nH]n2)CC(C)(C)C1	186153831	TVIANXQDIRQEAW-NEPJUHHUSA-N	306.410	1.952	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNC(=O)CCCc1ccccc1	130341412	NFVCPASLTGQGGA-LBPRGKRZSA-N	306.362	1.356	50	20	DDGD	
CC#CCNC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	135999681	PPFJNBMOWIOJGD-UHFFFAOYSA-N	303.406	1.947	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccncc2)c(-c2ccccc2)n1	133884267	UVRKOTZLGUSKGU-UHFFFAOYSA-N	321.340	1.557	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCOc1ccc(F)cc1	193174150	CWBWHFIUPJSEPA-UHFFFAOYSA-N	305.309	1.394	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cc(-c2cccs2)on1	194898396	CWJFCDNLDMJKPC-UHFFFAOYSA-N	322.346	1.090	50	20	DDGD	
CC[C@@H](NNC(=O)[C@H](C)Oc1cccc(C)c1C)C(=O)OC	192828720	QPSZGBPBYJYLCV-QWHCGFSZSA-N	308.378	1.643	50	20	DDGD	
CSc1ccc(C(=O)NNC(=O)C2CCC2)cc1[N+](=O)[O-]	264655869	CEXHBDIYONVFJJ-UHFFFAOYSA-N	309.347	1.878	50	20	DDGD	
COC(=O)CCCNC(=O)NNc1cccc([N+](=O)[O-])c1C	263950662	DNTOXXCHFIRKAP-UHFFFAOYSA-N	310.310	1.483	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1cccc([N+](=O)[O-])c1	269597811	GYAXQOKMAFLQJI-VIFPVBQESA-N	324.337	1.951	50	20	DDGD	
CN(C[C@H]1COc2ccccc2O1)C(=O)NNC(=O)C(C)(C)C	264559029	ARGZIPFERZLBBU-NSHDSACASA-N	321.377	1.545	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCS1)c1cc(-c2ccccc2)n[nH]1	266568936	KUNGZGQKKBJIMP-CYBMUJFWSA-N	316.386	1.733	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@H](C)[C@H]1CCOC1)c1ccccc1	266547514	LCYZRAQGWLDCJZ-SNPRPXQTSA-N	319.405	1.936	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNC(=O)c1ccc(C)cc1O	264201037	FGFCNVGCUNWFGG-UHFFFAOYSA-N	321.377	1.158	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)C(C)(C)c1ccccc1)N(C)C	269305567	ZEKXPUYWFVIWPB-AWEZNQCLSA-N	305.422	1.698	50	20	DDGD	
CN(CCNC(=O)NNC(=O)c1ccccc1)CC(F)(F)F	264745133	FJKMGZHYDXJYLW-UHFFFAOYSA-N	318.299	1.125	50	20	DDGD	
O=C(CN1[C@H]2C=CC[C@H]1CC2)NNC(=O)c1ccc(F)cc1	363505071	RWLCURDZGLVUHZ-KBPBESRZSA-N	303.337	1.380	50	20	DDGD	
COc1ccc(OC)c(NC(=O)CN2CC=C(C#N)CC2)c1	272575432	DJAKYWHBPBLVNR-UHFFFAOYSA-N	301.346	1.798	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1cc(C(=O)OC)co1	274089230	RNQUBRHFMITKGF-XFFZJAGNSA-N	306.318	1.516	50	20	DDGD	
CC[C@H](C(=O)NNc1nccn(C)c1=O)c1ccc(OC)cc1	271812789	LECNEQFZHAWMFD-ZDUSSCGKSA-N	316.361	1.426	50	20	DDGD	
Cc1c(C(=O)NNc2nc3ccccn3n2)[nH]c2c1C(=O)CCC2	276679505	CARUKUGOCNIIHL-UHFFFAOYSA-N	324.344	1.642	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCc1ncc[nH]1	279203971	NAWRBONNPQIMHN-SNVBAGLBSA-N	320.324	1.096	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H]1CCCO[C@@H]1c1nccn1C	275604674	LDWZKBWQVGEJBG-QFEHZMRISA-N	304.350	1.200	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNC(=S)N[C@@H](C)C1CC1	273585402	REANGVNWLJTGOI-VIFPVBQESA-N	307.423	1.255	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCc1nnc2n1CCCC2	274925546	BZSLZWJJTFSTSG-UKTHLTGXSA-N	323.356	1.543	50	20	DDGD	
C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CC=C(C#N)CC1	272690896	ULGYTTYTRLGBJD-MRXNPFEDSA-N	324.428	1.879	50	20	DDGD	
COc1ccc(C2(C(=O)NNC(=O)C(C)(C)O)CCCC2)cc1	277527480	AARTWKFRMLMROW-UHFFFAOYSA-N	320.389	1.425	50	20	DDGD	
Cc1ccc(Br)nc1C(=O)NNC(=O)NC1CC1	276275580	WQEDIKFZEOUCHS-UHFFFAOYSA-N	313.155	1.259	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@@H](CO)Cc1ccc(F)cc1	272471283	TVEVLBPHOZCKSI-GFCCVEGCSA-N	311.357	1.106	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)C1SCCS1	270546923	ZCXADOAULRPUSQ-UHFFFAOYSA-N	300.380	1.322	50	20	DDGD	
O=S(=O)(CBr)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21	272774563	GCSGUFQHDLGBQC-GRYCIOLGSA-N	316.220	1.987	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNC(=O)COc1cc(C)ccc1C	284962605	LAIWBMDHUQJUKB-MRXNPFEDSA-N	303.362	1.770	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1c(C)c(C(F)(F)F)nn1C	287628191	QBPVFSDNECCSDU-UHFFFAOYSA-N	322.291	1.445	50	20	DDGD	
C[C@@](O)(CC(=O)NNC(=O)NCC(F)(F)F)c1ccccc1	280865268	BJONPZNIDBJCJS-GFCCVEGCSA-N	319.283	1.177	50	20	DDGD	
CCn1cc(CNC(=O)NNC(=O)c2ccc(C)s2)cn1	287037667	VYHGRKWCROAXFQ-UHFFFAOYSA-N	307.379	1.417	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1cc(C)c(OC)cc1C	288971223	QTJIFUIKYRGLPC-UHFFFAOYSA-N	302.352	1.204	50	20	DDGD	
Cc1oc(C(C)C)nc1C(=O)NNC(=O)NCc1ccco1	285167011	SWSOMJAPEIPTPW-UHFFFAOYSA-N	306.322	1.844	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C1=C(C)OCCC1	287731311	GVPQAPYAHKVNEP-UHFFFAOYSA-N	300.355	1.007	50	20	DDGD	
CO/N=C/C(=O)NNc1nc(-c2ccccn2)nc2c1CCC2	289114311	CZZBEZXWQAIKBF-RQZCQDPDSA-N	312.333	1.103	50	20	DDGD	
O=C(NC[C@@H]1COC2(CCCCC2)O1)NNc1ncccc1F	286660792	GIJSPEOIJDVQDC-LLVKDONJSA-N	324.356	1.923	50	20	DDGD	
C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)C(C)(C)C	298816443	SMLZUKMVRQQGQM-NSHDSACASA-N	321.377	1.495	50	20	DDGD	
CC(C)(CCC#N)CNC(=O)NNC(=O)c1cccc(C#N)c1	807591857	QDMUPCRXETYKBQ-UHFFFAOYSA-N	313.361	1.832	50	20	DDGD	
COCCN(C)NC(=O)c1cc2c(C(F)F)nn(C)c2s1	297061568	KUQIEOUBUMQTSL-UHFFFAOYSA-N	318.349	1.795	50	20	DDGD	
Cn1[nH]cc2c(=NC(=O)NNc3cccc(C#N)c3)ccnc1-2	806482981	WYDFMIAIHWXBCJ-UHFFFAOYSA-N	307.317	1.362	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@H](C)C(=O)NNc1ncncc1F	294202130	XUSKOQRBNIXLGU-QMMMGPOBSA-N	306.345	1.288	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2cccc(F)n2)ccc1F	807393062	UZXPUGCJAXSRLY-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
O=C(NC[C@H]1COc2ccccc21)NNc1ccc(Cl)nn1	808368479	CWBAQIHHZUFSNG-VIFPVBQESA-N	319.752	1.932	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C	807403958	UJZDPMVXOXSFNV-SWLSCSKDSA-N	322.409	1.045	50	20	DDGD	
CC(C)(C(=O)NNc1ncccn1)c1ccc2c(c1)OCO2	293022037	PRLOWEKACCYMLO-UHFFFAOYSA-N	300.318	1.626	50	20	DDGD	
COC(=O)CCCNC(=O)NNC(=O)c1c[nH]c2ccccc12	807002859	RGIKCQMDXSYMSQ-UHFFFAOYSA-N	318.333	1.065	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@]2(C#N)CC23CCCC3)c(O)c1	294982343	YFKSSDLGINFKCZ-QGZVFWFLSA-N	313.357	1.936	50	20	DDGD	
COC(=O)c1ccnc(NC(=O)NNc2cccc(F)n2)c1	806407401	RAVSPHJURKHJFT-UHFFFAOYSA-N	305.269	1.551	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@@H](O)C(C)C)c1	291514308	XZTZARXDHXACKP-INIZCTEOSA-N	322.405	1.662	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)C1(O)CCSCC1	805465580	OYOLYHBIWLUGSN-UHFFFAOYSA-N	308.407	1.445	50	20	DDGD	
COc1ncc(C=NNC(=O)CNc2ccccc2OC)s1	812223223	XWKUEJKXXAYGGG-UHFFFAOYSA-N	320.374	1.723	50	20	DDGD	
O=C(NN=C1CC[C@@H]1C1CC1)C1CCN(c2ncccn2)CC1	814837025	DWYPZWIVMBNHIB-CQSZACIVSA-N	313.405	1.985	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)Cn2ccc3ccccc32)CC1(F)F	817432166	IUFZMDOOVLXSHN-AWEZNQCLSA-N	307.300	1.834	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=C1C(=O)Nc2ccc(Cl)cc21	815002509	DXBMVLFYUVVZLX-UHFFFAOYSA-N	315.720	1.635	50	20	DDGD	
CCOC(=O)c1c(NC(=O)NNC(=O)CC)c(C#N)cn1CC	817358340	WMBNWJBHTRRNEX-UHFFFAOYSA-N	321.337	1.119	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1ccc(F)cc1[N+](=O)[O-]	814956995	JKUWXUOBWURKBH-UHFFFAOYSA-N	305.269	1.540	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(Cl)n1)[C@@H]1CN(C)CCO1	814314043	WFCLQFKDTKVSTA-UWVGGRQHSA-N	313.789	1.080	50	20	DDGD	
O=C(CCc1nnc(C2CCCC2)o1)NNC(=O)CC1CC1	819109773	IRANRVVNKDNRDJ-UHFFFAOYSA-N	306.366	1.607	50	20	DDGD	
CCCc1ccc(NC(=O)C(=O)NNc2ncncc2F)cc1	815764500	JZECGQJTWWBSSD-UHFFFAOYSA-N	317.324	1.650	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)C(=O)Nc2ccccn2)CC[C@@H]1C(=O)O	814869446	JTWRCGWFWDQGQZ-KOLCDFICSA-N	318.333	1.013	50	20	DDGD	
CCn1ccnc1C(=O)NNC(=O)c1ccc2ccccc2n1	813363474	YEQMVLAGYWNQLO-UHFFFAOYSA-N	309.329	1.526	50	20	DDGD	
COCCOc1ccccc1C(=O)NNc1ncncc1F	817082392	VFWKLVBMMWHMFO-UHFFFAOYSA-N	306.297	1.398	50	20	DDGD	
CO[C@H](C)[C@@H](C)NC(=O)NNC(=O)c1cccc2cccnc12	811870145	CMCKBVXKVYMGGX-GHMZBOCLSA-N	316.361	1.602	50	20	DDGD	
CO[C@@](C)(C=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)C1CC1	814752843	GQAWLCUPSIBJSM-AWEZNQCLSA-N	306.322	1.708	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@]1(C)CCCNC1	818571222	AWFVVJZJIXMUEB-OAHLLOKOSA-N	312.845	1.858	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(OCCC(=O)NC)cc1	729663763	IKZPLROPMJZNJT-VAWYXSNFSA-N	317.345	1.584	50	20	DDGD	
O=C(CSC[C@@H]1CCCO1)NNC(=O)c1cccs1	727364287	QQYFNWKLGAOFHW-VIFPVBQESA-N	300.405	1.421	50	20	DDGD	
CC[C@@H](C)n1ncc2c(C(=O)NN(C)[C@H](C)CO)cc(C)nc21	823964518	AXTKFDLBFSJFBX-VXGBXAGGSA-N	319.409	1.668	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)Nc2cccn(C)c2=O)cc(C#N)n1C	490663940	MMTXSPPXLBPVGE-QPEQYQDCSA-N	321.340	1.450	50	20	DDGD	
COC(=O)NNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1	823818602	JTGGSCHLVCBCTR-LLVKDONJSA-N	323.349	1.640	50	20	DDGD	
C[C@H]1CN(c2ccc(C(=O)NN(C)[C@H](C)CO)cc2)C[C@@H](C)O1	823907575	NFQJKODKRDGLJU-MCIONIFRSA-N	321.421	1.258	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)C1(Br)CC1	821142317	BHZCXVIXWQWXTP-UHFFFAOYSA-N	300.112	1.965	50	20	DDGD	
CC1CCN(CC(=O)NNc2ccc(-c3nn[nH]n3)cc2)CC1	824953523	FEJQJOGPEZUJAC-UHFFFAOYSA-N	315.381	1.042	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(F)cc1Br	496504517	JENNLJRKLANYKK-UHFFFAOYSA-N	305.103	1.931	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)/C=C\c2scnc2C)nc1	492743878	PMZSPYTWOYJIAK-XQRVVYSFSA-N	318.358	1.790	50	20	DDGD	
C=CCOCC(=O)NNC(=O)c1cc(-c2ccc(C)cc2)[nH]n1	729521057	VONGSIMVOYGELO-UHFFFAOYSA-N	314.345	1.349	50	20	DDGD	
CCOCCOCCCC(=O)NNC(=O)c1ccc(C#N)cc1	824694696	QOMQDUUYTMLSDV-UHFFFAOYSA-N	319.361	1.153	50	20	DDGD	
O=C(NNc1ccccc1Cl)c1c[nH]c(-c2nn[nH]n2)c1	826449197	GLSBWSMEPANKOB-UHFFFAOYSA-N	303.713	1.605	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cnn(C)c1-c1ccccc1	496576727	DGQDMCSVBWZBGW-UHFFFAOYSA-N	303.322	1.870	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)N=c2cc[nH]cc2)cc1	493114793	HOEJNCLIWQJWGZ-QPJJXVBHSA-N	312.329	1.378	50	20	DDGD	
CCN(Cc1cccs1)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	827316036	YASLLJMAOBKCPI-JQWIXIFHSA-N	311.407	1.736	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NN=Cc1ccc(-c2nn[nH]n2)o1	823082472	KGAAYNDGHNFDPE-UHFFFAOYSA-N	314.280	1.292	50	20	DDGD	
O=C(CCCF)NNc1ccc(S(=O)(=O)NC2CC2)cc1	825423054	WTBACXMIBCTTBE-UHFFFAOYSA-N	315.370	1.320	50	20	DDGD	
O=C(C[C@@H]1CC[C@H]2C[C@@H]12)NNC(=O)Cn1cnc2ccccc21	822198531	ZFKXKVFFGXOKKO-RWMBFGLXSA-N	312.373	1.620	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=S)NCCc1cccs1	820170981	AJPGYLZRZUBATP-ZDUSSCGKSA-N	315.464	1.601	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)C1(Cc2ccccc2)CCOCC1	823918050	QVIWICMHRWYEAS-AWEZNQCLSA-N	306.406	1.370	50	20	DDGD	
CCCCC[C@@H](O)C(=O)NNC(=O)Cc1ccc(Cl)cc1	822212593	XZVSNCGJQUQFNE-CYBMUJFWSA-N	312.797	1.971	50	20	DDGD	
C[C@H]1SCC[C@H]1NC(=O)NNC(=O)CCOc1ccccc1	825821398	UKVJOWADLVWXCZ-DGCLKSJQSA-N	323.418	1.680	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)NNC(=O)C1CC1	492009194	UMIUONMAZPFSFJ-NSHDSACASA-N	311.382	1.333	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cccc(Cl)n1	826446840	AVXQBVJTBSAAHS-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
CC/C=C(/C)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	494337738	ZLBRRTYGOANRSI-FLIBITNWSA-N	313.398	1.795	50	20	DDGD	
CC(C)C(=O)NNC(=O)CNC(C)(C)c1ccc(Cl)cc1	828280702	KSGVDYMPASOOAN-UHFFFAOYSA-N	311.813	1.968	50	20	DDGD	
C[C@@H]1CC2(CCOCC2)CN1C(=O)NNC(=O)C1CCCC1	826624320	SJWPQTPAECVSEZ-GFCCVEGCSA-N	309.410	1.808	50	20	DDGD	
OB(O)c1ccccc1CNc1ccc(O[C@H]2CCOC2)cc1	585011913	GYCNBBVCLQODNM-INIZCTEOSA-N	313.162	1.146	50	20	DDGD	
CC(C)Oc1ccccc1[C@H](C)NCC(=O)NNC(=O)C(C)C	828648152	NWSOVCHOUVBNKQ-ZDUSSCGKSA-N	321.421	1.928	50	20	DDGD	
CC[C@@H](CC(F)(F)F)c1nc(-c2cccc(B(O)O)c2)no1	585052687	UQONYQXEQYDTJC-QMMMGPOBSA-N	314.072	1.862	50	20	DDGD	
COc1cccc(CN(C)[C@H](C)C(=O)NNC(=O)CC(C)C)c1	731849055	SCLLBJIMULTGPN-CYBMUJFWSA-N	321.421	1.709	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(C#N)c1)c1nnc2n1CCC2	730934769	LAAYFSZOANUYLB-JTQLQIEISA-N	311.349	1.483	50	20	DDGD	
COC(=O)CCc1ccccc1C(=O)NNC(=O)NC(C)C	900417433	MYJDAGMXKYRKMS-UHFFFAOYSA-N	307.350	1.145	50	20	DDGD	
O=C(NCc1cocn1)NNC(=O)c1ccc2ccccc2n1	730830229	NRHHNBINCJSDFD-UHFFFAOYSA-N	311.301	1.367	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ncsc1Nc1ccccc1	823924417	ZUSURPADMPXPAP-SNVBAGLBSA-N	306.391	1.844	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1cnnc2ccccc12	491540555	XGRHOMIYVOZHCT-UHFFFAOYSA-N	303.322	1.209	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)N[C@@H]2CC[C@H](C#N)C2)c1	824779241	XDVGNCPJFNCJNV-WDEREUQCSA-N	322.390	1.408	50	20	DDGD	
COC(=O)COc1ccccc1C=NNC(=O)[C@H]1CCO[C@H]1C	901259355	REXZHBGQDCVKPL-AAEUAGOBSA-N	320.345	1.114	50	20	DDGD	
C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)c2cccc(B(O)O)c2)C1	584988783	UETJHGGXICBIQR-KDOFPFPSSA-N	323.201	1.980	50	20	DDGD	
CCO[C@H](CCNCc1ccccc1B(O)O)C1CCCC1	585027171	XYVRCKWQASFTFZ-QGZVFWFLSA-N	305.227	1.441	50	20	DDGD	
CC[C@H](CC(=O)N1CC[C@H](B(O)O)C1)c1ccc(OC)cc1	585066168	MTHUHQWUQBBGOI-OCCSQVGLSA-N	305.183	1.654	50	20	DDGD	
COc1ccc(C=NNC(=O)c2ccncc2)cc1-c1nn[nH]n1	737081935	RWBJFTIDTOPOPF-UHFFFAOYSA-N	323.316	1.034	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NNC(=O)[C@@H]1CCCCO1	833778334	BEJYPDCEGCBRQQ-DTWKUNHWSA-N	321.215	1.513	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCC1CC2(C1)OCCO2	832191953	BGZPPXXQTQDVLZ-AUWJEWJLSA-N	314.341	1.568	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CCCc2cc(N)ccc21	834961247	DHLAVVJFTIGOOP-UHFFFAOYSA-N	316.405	1.730	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1C[C@H]2CCCCCC[C@H]21	584960264	OYFTYMQGYLVZSH-IUODEOHRSA-N	305.158	1.300	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCn3nc(C4CC4)cc3C2)cn1	834437432	ZFJFLXYPYOJLSS-MKMNVTDBSA-N	322.372	1.443	50	20	DDGD	
Cc1ccc(NNC(=O)CCS(=O)(=O)N(C)C)c(Cl)c1	836938036	VYQWTPMZYMDWDI-UHFFFAOYSA-N	319.814	1.373	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2cnn(Cc3ccccc3)c2)cn1	735411947	CQVJWVIGIIJTHQ-UHFFFAOYSA-N	308.345	1.429	50	20	DDGD	
CCN(C)[C@@H](C(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccc1	833250707	KFSGVTFRQWFIQZ-LSDHHAIUSA-N	319.405	1.396	50	20	DDGD	
CC(=NNC(=O)[C@H](C)Oc1ccccc1F)c1cnn(C)n1	834929989	KRVAQATUJGJHCH-JTQLQIEISA-N	305.313	1.262	50	20	DDGD	
O=C([C@H](O)c1cc(Cl)cc(Cl)c1)N1CC[C@H](B(O)O)C1	585063554	BZZRVWJUTPKIAK-GZMMTYOYSA-N	317.965	1.102	50	20	DDGD	
C[C@@]1(C(=O)NNc2ncncc2Cl)C[C@@H]1Br	907603854	MXJAEBCZEPODAZ-IMTBSYHQSA-N	305.563	1.747	50	20	DDGD	
CC(C)Oc1cccc(C(=O)NNC(=O)[C@@H]2CCCCO2)n1	833246312	HKNFWXUCHZQKAZ-LBPRGKRZSA-N	307.350	1.199	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)C[C@H]1Br	909569993	IDNFMMOAPJGZFD-PRFIWBCESA-N	315.211	1.430	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)[C@H]1CCSc2ccccc21	833246952	VPQQZNRLKKTWLD-QWHCGFSZSA-N	320.414	1.983	50	20	DDGD	
O=C1CCC(=O)N(c2ccc(C(=O)NNc3ccccc3)cc2)N1	732266122	LCBYQVOVFVNDSP-UHFFFAOYSA-N	324.340	1.602	50	20	DDGD	
Cc1ccc2cc(S(=O)(=O)N3CC[C@@H](B(O)O)C3)ccc2c1	585056272	MHFVVWNRHLEWJS-CQSZACIVSA-N	319.191	1.386	50	20	DDGD	
COC[C@H](C)OC(=O)/C(C#N)=C/c1ccc(S(C)(=O)=O)cc1	918154460	OGIQJYDJGKGLSE-ZWSXMNCCSA-N	323.370	1.575	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1NC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	838764419	BAPVRJHJIGVOPY-GXSJLCMTSA-N	322.321	1.289	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc(OC)c1	831057956	UICXZEPLUIXLIC-TVQRCGJNSA-N	323.349	1.282	50	20	DDGD	
O=C(CCc1nc2ccccc2o1)NNC(=O)c1ccncc1	916712797	BKWIIVVGQLJSNQ-UHFFFAOYSA-N	310.313	1.617	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)[C@@H]2CCCCO2)C[C@@H]1c1ccccc1	839779771	MCEYQVPDIGCUTP-KEYYUXOJSA-N	302.374	1.897	50	20	DDGD	
O=C(C#CC1CC1)NNc1c(F)cc(C(=O)NC2CC2)cc1F	837487220	AYKGNVOENNVMCH-UHFFFAOYSA-N	319.311	1.714	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1scnc1C(F)(F)F	848158792	ZCSVTDAVLXAVSD-LURJTMIESA-N	323.296	1.492	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2ccc3ccccc3n2)cnn1C	916091893	JXRCGEIBMHVYPQ-UHFFFAOYSA-N	323.356	1.606	50	20	DDGD	
Cc1noc(CN(C)C(=O)c2c(C)nn(CCCl)c2C)n1	848353430	KPCPAXWIPGZFMY-UHFFFAOYSA-N	311.773	1.702	50	20	DDGD	
Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843662416	SNTNFNFHOLATDY-WDEREUQCSA-N	321.333	1.398	50	20	DDGD	
CC(C)CN1C[C@H](C(=O)NNC(=O)CC2CCCC2)CC1=O	749945620	WLSBQLIIMZFMCY-CYBMUJFWSA-N	309.410	1.219	50	20	DDGD	
C[C@H]1CCc2c(F)cccc2C1=NNC(=O)C(=O)NC1CC1	748250795	PTGQYRQASCMTIZ-VIFPVBQESA-N	303.337	1.507	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1ccccc1O	916363312	UCYPSGTXHIBBOD-GFCCVEGCSA-N	305.378	1.201	50	20	DDGD	
Cn1cc(C=NNC(=O)Cc2ccncc2)c(-c2ccncc2)n1	747645700	HMUOBXKUHQLCII-UHFFFAOYSA-N	320.356	1.570	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCC(=O)c1ccc(F)cc1F	910170069	JHUVKJBBVUUXOH-SECBINFHSA-N	300.305	1.272	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)[C@@H]1CCCS1(=O)=O	847600769	ZORWHLLADHHUAI-JTQLQIEISA-N	320.317	1.308	50	20	DDGD	
CC[C@@H](Oc1ccccc1C)C(=O)NNc1nnc(C)c(O)n1	749523501	CCZFXWOMLPYWFB-LLVKDONJSA-N	317.349	1.495	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1nn(-c2ccc(Cl)cc2)cc1O	910163709	OVAASYZUOBBFRS-VIFPVBQESA-N	324.768	1.189	50	20	DDGD	
NC1(CNC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)CCC1	841967128	MSNNIMUDOXAKFS-UHFFFAOYSA-N	320.437	1.415	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccnn2CC(C)C)n1	843588009	SKLXCPJUURLPML-UHFFFAOYSA-N	301.350	1.317	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cc3c(s2)CCC3)CCN1	841989747	WTPPXOBJALUSAW-KOLCDFICSA-N	322.434	1.321	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNc1ncnc(Cl)c1C(C)C	840546979	GWHGASUUJDLDOF-MRVPVSSYSA-N	318.830	1.811	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)o1	748726396	CWNMXXAZXUHZQV-UHFFFAOYSA-N	324.680	1.697	50	20	DDGD	
C[C@@H](C(=O)OCC(=O)NNC(=O)c1cccs1)c1ccco1	745124968	FIZXUGODAMEVGR-SECBINFHSA-N	322.342	1.449	50	20	DDGD	
CC1(CCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1	929231250	HGLAYUBQTDBJKZ-ZDUSSCGKSA-N	304.346	1.554	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCC[C@@H]1CCNC1)c1ccccc1	841935453	IPQDNSLATDYAAD-ZDUSSCGKSA-N	318.421	1.294	50	20	DDGD	
CCc1cccc(OCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	843647636	OMKWOWIBOJXBOE-SMDDNHRTSA-N	306.362	1.200	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)COc1ccccc1C#N)C1CC1	920053890	KBYMYEYEVKIVHI-LLVKDONJSA-N	316.361	1.314	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2CC[C@H]3CNC[C@@H]3C2)n1	842014948	JSCLPQSZNSNOLF-RWMBFGLXSA-N	304.398	1.108	50	20	DDGD	
C[C@H](Cc1ccc(F)cc1)C(=O)NNC(=O)c1ccncc1	921019013	GWNQVGVVNUDCTE-LLVKDONJSA-N	301.321	1.861	50	20	DDGD	
O=C(CCOC1CCOCC1)NNc1cnnc2ccccc12	753341927	SBLORJLXPDEZRD-UHFFFAOYSA-N	316.361	1.659	50	20	DDGD	
Cc1c(C(=O)OC[C@@H](CBr)C2CC2)nnn1C	859569622	ZKSGCNRUDGWINH-SECBINFHSA-N	302.172	1.701	50	20	DDGD	
CC/C(C)=C(/C)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855833555	OLCDIIOZFALVQS-QXMHVHEDSA-N	311.426	1.823	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCCCN1CCCC1=O	754547414	SRKCJVCCFJOUBK-KAMYIIQDSA-N	314.341	1.855	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(SC)oc1C	850230406	OLHBQSJCAKUHIM-MRVPVSSYSA-N	314.363	1.413	50	20	DDGD	
CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NNc1ccc(C)c(F)c1	853934381	ULOLLLAJDNPPCF-AAEUAGOBSA-N	308.357	1.675	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=S)NC[C@@H]2CCCCO2)cc1	758217648	VTNOATPTKUBHGE-ZDUSSCGKSA-N	318.402	1.236	50	20	DDGD	
COc1ccc(CN2CC[C@@H](N3CC=C(C#N)CC3)C2=O)cc1	851882620	BNRHMCJHWXZHDQ-QGZVFWFLSA-N	311.385	1.952	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCC[C@@H]2CCOC2)c1	858523762	UILLGWBPNUUJLA-LLVKDONJSA-N	311.407	1.817	50	20	DDGD	
CC1CCN(C[C@H](C)NC(=O)NNc2cccc(F)n2)CC1	852600782	DTGGDRIRXFXSSB-LBPRGKRZSA-N	309.389	1.967	50	20	DDGD	
Cn1nc(CNS(=O)(=O)CC(C)(C)CCl)cc1C1CC1	921911230	PCMFQRQLEKQQKD-UHFFFAOYSA-N	319.858	1.982	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)NC(=O)NNc1cc(F)ccc1F	922750983	ZKMMKRLXPJBPIP-VIFPVBQESA-N	309.320	1.956	50	20	DDGD	
CCN1CCC[C@@H](NC(=O)NNC(=O)c2cc(C)cs2)C1=O	925983162	CKYKBMUUTDKVMP-SNVBAGLBSA-N	324.406	1.011	50	20	DDGD	
C[C@@H]1c2cc(F)cc(F)c2CCN1CC(=O)NNC(=O)C1CC1	758751263	ISXFOVBOEAUZJD-SECBINFHSA-N	323.343	1.441	50	20	DDGD	
CN(CCCCNC(=O)NNc1ncc(Cl)cn1)C1CC1	856913900	IQHZGTZXGFINME-UHFFFAOYSA-N	312.805	1.631	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccccc1NC(C)=O	755576202	JREOITRQZDLOTE-UHFFFAOYSA-N	304.394	1.827	50	20	DDGD	
CNC(=O)[C@H]1CCC[C@H]1NC(=O)NNc1ccc(Cl)cn1	852235238	WZHHXLOUCKRODU-VHSXEESVSA-N	311.773	1.276	50	20	DDGD	
CO[C@@H](Cc1ccccc1)C(=O)NNC(=O)OCC(F)(F)F	856019073	OZBYCKGXWMNPNQ-JTQLQIEISA-N	320.267	1.564	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1ccccc1OC1CCC1	755284918	IHVRIEQAKPZPRF-UHFFFAOYSA-N	314.345	1.345	50	20	DDGD	
CN1C(=O)CC[C@H]1CC(=O)NNc1cc(Cl)nc(Cl)c1	854988828	LFXONKBJFIPWIJ-QMMMGPOBSA-N	317.176	1.842	50	20	DDGD	
C[C@]1(C(=O)NNc2nccc(N3CCOCC3)n2)CC=CCC1	857153250	VAHYUYBCCVSSLG-INIZCTEOSA-N	317.393	1.503	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1CCCN(CCc2ccccc2)C1	854412486	INNREIHQRVPYAQ-QGZVFWFLSA-N	319.449	1.551	50	20	DDGD	
O=C(NCCC1(O)CCOCC1)NNc1ccc(Cl)cn1	852322088	BCKDRGSUFQGQEN-UHFFFAOYSA-N	314.773	1.293	50	20	DDGD	
CCOCC(=O)NN=Cc1ccc(O[C@H](C)C(=O)OC)cc1	758370757	RCUOJIAMIAMIFM-LLVKDONJSA-N	308.334	1.114	50	20	DDGD	
CC(C)(C)S(=O)(=O)CC(=O)NNc1ncc(F)cc1F	857533437	YVXKUUUDJAXFAY-UHFFFAOYSA-N	307.322	1.016	50	20	DDGD	
COc1ccc(C2(C(=O)NNC(=O)NC(C)C)CCC2)cc1	751382116	NBIURUCAPYGHMG-UHFFFAOYSA-N	305.378	1.856	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1cncc(NC(C)=O)c1)C1CCCC1	853323096	PHWCPHLJUUFWPG-HNNXBMFYSA-N	318.377	1.961	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1c(C)cccc1C	854385748	DECICCFQVLTJGK-UHFFFAOYSA-N	308.378	1.854	50	20	DDGD	
Cc1ccc(C[C@@H](CO)NC(=O)NNC(=O)C2CCCC2)cc1	753356404	YCEXYLXDJAXKFY-HNNXBMFYSA-N	319.405	1.419	50	20	DDGD	
N#CSCCCNC(=O)[C@H]1CCN(Cc2ccccc2)C1=O	935843609	XFEPQDVCQOFTKH-CQSZACIVSA-N	317.414	1.756	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(N2CCC2=O)cc1	931264945	NHKGGUBWJGZLKA-UHFFFAOYSA-N	314.345	1.380	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)N3CCOCC3)cc2s1	761667309	VNUHFLVOLAHJMT-UHFFFAOYSA-N	320.374	1.291	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@]2(C3CCCC3)CCNC2=O)cc1	860317414	UVEBKDJDIYEJBB-QGZVFWFLSA-N	312.373	1.698	50	20	DDGD	
CC1(C)[C@]2(C(=O)NNc3ncc(Cl)cn3)CC[C@@]1(C)C(=O)O2	862257725	HEJDPLQAXASFON-UONOGXRCSA-N	324.768	1.695	50	20	DDGD	
CCO[C@H](C(=O)NNc1cccc(C(=O)OC)c1F)C1CC1	861927862	SFNFDPSMBPDOEG-ZDUSSCGKSA-N	310.325	1.871	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H](C)c2cnc(C)s2)n1	868562544	HKGZBNQNVLZAPG-VIFPVBQESA-N	319.390	1.860	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)CCc2cn[nH]c2)c1	863851800	QYPQZECMVAKQRG-UHFFFAOYSA-N	316.361	1.186	50	20	DDGD	
O=C(NC[C@H]1CCCCN1C1CC1)NNc1ccc(F)cn1	764842428	UBLVTZOLHHPRJU-CYBMUJFWSA-N	307.373	1.864	50	20	DDGD	
CC(C)(C)Oc1cccc(CNC(=O)NNC(=O)C2CCC2)n1	767262456	SMBCABFXAHYYMO-UHFFFAOYSA-N	320.393	1.889	50	20	DDGD	
N#CC1=CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1	760002760	CMTMWZSTMVQHMR-UHFFFAOYSA-N	301.258	1.619	50	20	DDGD	
CO[C@@H]1Cc2ccc(NC(=O)NNC(=O)C(C)(C)C)cc2C1	760956087	XCPDEDCYUMDMDH-CYBMUJFWSA-N	305.378	1.999	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)Cn1cc(C(=O)OC)cn1	861526527	ULFVRVXOYOKFSD-UHFFFAOYSA-N	316.361	1.684	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NNC(=O)C2CCC2)c(C)c1	1116532300	ISERKAUCGNRGLM-UHFFFAOYSA-N	304.350	1.307	50	20	DDGD	
COc1cccnc1CNS(=O)(=O)CC(C)(C)CCl	867373670	YSWIOAUVVOGRSE-UHFFFAOYSA-N	306.815	1.775	50	20	DDGD	
C=C(C)COc1cccc(NC(=O)C(=O)NNC(=O)C(C)C)c1	763816771	OXGUOTSKRXGZPJ-UHFFFAOYSA-N	319.361	1.383	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)COc2cccc(C)c2)n(C)n1	873772721	KDVYPQWQKLYNMB-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
O=C(NNc1ccc(Br)nc1)[C@@H]1C[C@@]12CCOC2	764463412	VVTYVQKSTDGBHQ-JOYOIKCWSA-N	312.167	1.714	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=S)Nc1ccccc1OC	873768891	FWPYIUBNJBIQAX-AWEZNQCLSA-N	311.407	1.828	50	20	DDGD	
Cc1nnc(CNC(=O)NNC(=O)c2ccc(Cl)cc2)o1	1115856396	SEYQXXQOPQCJHR-UHFFFAOYSA-N	309.713	1.176	50	20	DDGD	
CC[C@H](Cc1cccc(C)c1)C(=O)NNC(=O)C(=O)NC(C)C	873837002	ISAPWWFHZRRVKA-CQSZACIVSA-N	319.405	1.236	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(N2CCCC2=O)ccc1F	878370602	YEARIRNAOAQTPW-UHFFFAOYSA-N	324.356	1.567	50	20	DDGD	
CC[C@@H](NC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)C(=O)O	776632053	ZAEPGWVUQAEVMI-FNOROQBZSA-N	304.184	1.920	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CN(C)CC(C)(C)C)cc1	873797256	PWBBSPRLOZVOLC-UHFFFAOYSA-N	321.421	1.499	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(c2ccccc2C)CC1	772074873	ITFLBFPGGUGCHJ-GFCCVEGCSA-N	318.373	1.516	50	20	DDGD	
CC1=NO[C@@H](CNC(=O)NNC(=O)C(C)(C)c2ccccc2)C1	875974893	WBSVBSJINFXVSB-CYBMUJFWSA-N	318.377	1.459	50	20	DDGD	
CCn1ncc(C(=O)NNc2cccc(OC)n2)c1C1CC1	879422111	GRDNYNOXVAPOGK-UHFFFAOYSA-N	301.350	1.941	50	20	DDGD	
CN1CCC(C=NNC(=O)Nc2ccc3c(c2)OCO3)CC1	872379160	PZYWSSAXXJKJBE-UHFFFAOYSA-N	304.350	1.864	50	20	DDGD	
C[C@]1(CNCc2ccc(S(N)(=O)=O)o2)C[C@@H]1Br	877648180	XBSLBXXIKPMLTB-WCBMZHEXSA-N	323.212	1.190	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(C)n([C@@H](C)CC)n1	772240339	JTNJPRJVFMSFBJ-ONGXEEELSA-N	324.381	1.265	50	20	DDGD	
COc1ccc(-c2ccncc2)cc1C=NNC(=O)CN(C)C	774386121	UISFTFKRHYFSII-UHFFFAOYSA-N	312.373	1.769	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1cc(C(C)(C)C)nn1C	1116561815	MWGIMSCCOOMNRE-UHFFFAOYSA-N	318.381	1.523	50	20	DDGD	
C[C@H](CBr)COC(=O)c1c([N+](=O)[O-])cnn1C	770407357	KTYIGLDBELAJOO-ZCFIWIBFSA-N	306.116	1.516	50	20	DDGD	
O=C(NNc1ccc(Br)nc1)C1(F)CCOCC1	878828234	LABNZAFWRHCNON-UHFFFAOYSA-N	318.146	1.806	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C2(C)CC(F)(F)C2)cc1	878037087	GWCRDXDDSVVRSW-UHFFFAOYSA-N	311.332	1.990	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1CCC1	778710356	HNUNINUBMVGZPK-VIFPVBQESA-N	314.386	1.030	50	20	DDGD	
Cc1[nH]c(C=O)cc1C(=O)NN=c1sc2ccccc2n1C	773752506	USQABGDPPCIXCF-UHFFFAOYSA-N	314.370	1.935	50	20	DDGD	
COCCC(C)(C)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	772315903	IHRHQQLWLOQISG-NSHDSACASA-N	316.398	1.174	50	20	DDGD	
CCn1ncc(Br)c1C(=O)NNC(=O)C(C)C	1123476989	VLVLERJMERQULB-UHFFFAOYSA-N	303.160	1.083	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)NNc1ccc(C(F)(F)F)cn1	775252312	UACBBRDAUDCUJU-UHFFFAOYSA-N	304.272	1.458	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)n1cc(C2CCCCCC2)nn1	881293342	NHWOSBTXENEOGL-LLVKDONJSA-N	307.398	1.834	50	20	DDGD	
CCOC(=O)c1ccccc1OS(=O)(=O)CBr	782397892	FPVUFSCYGQMVHP-UHFFFAOYSA-N	323.164	1.924	50	20	DDGD	
C[C@H](Cc1ccccc1)NC(=S)NNC(=O)c1ccncc1	786055459	IMFHRQCHWRPFSL-GFCCVEGCSA-N	314.414	1.822	50	20	DDGD	
CN(CC(=O)NNc1ncncc1Cl)[C@H]1CCSC1	781829880	MPAYXRYVYNHTFQ-QMMMGPOBSA-N	301.803	1.010	50	20	DDGD	
CCCNC(=O)NNC(=O)c1n[nH]c(CC)c1Br	789910823	YWKNDDQZKVROGC-UHFFFAOYSA-N	318.175	1.089	50	20	DDGD	
Cc1nc2ccnn2c(C)c1CCC(=O)N1CC=C(C#N)CC1	780687137	VPSBKZRSJLTYIQ-UHFFFAOYSA-N	309.373	1.961	50	20	DDGD	
CCCNC(=O)/C(C#N)=C/c1ccccc1OCC(=O)OC	899343304	SAXBDOACESHOHS-UKTHLTGXSA-N	302.330	1.672	50	20	DDGD	
Cc1ccccc1C(=O)NN/C=C1\C(=O)NC(=O)c2ccccc21	783680155	XYOFSGVYEPQKLX-GDNBJRDFSA-N	321.336	1.541	50	20	DDGD	
CC1(C)CCC[C@H](NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)C1	785911161	YIQRELGCPPUELP-FZMZJTMJSA-N	317.455	1.336	50	20	DDGD	
Cc1nc(NC(=O)NNC(=O)CO)sc1Cc1ccccc1	799430253	RFDHRMGYIRNWFR-UHFFFAOYSA-N	320.374	1.187	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1ccccc1-n1cncn1	794958029	WMEQSNFXGFNRGU-KPKJPENVSA-N	303.347	1.023	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	795100120	GVZYHYBUZMLUAW-INIZCTEOSA-N	316.361	1.448	50	20	DDGD	
CC(C)OC(=O)CCCNC(=O)NNc1nc2ccccn2n1	790492531	XZZWGWLKZCFTJE-UHFFFAOYSA-N	320.353	1.087	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cnn([C@H](C)CC)c1C	792269858	WVSRZEKDGJUHEZ-NXEZZACHSA-N	323.397	1.295	50	20	DDGD	
O=C(NNC(=O)c1cc(=O)c2ccc(F)cc2o1)c1ccc[nH]1	794818094	QQHYLIUTJIOLKQ-UHFFFAOYSA-N	315.260	1.335	50	20	DDGD	
N#C/C(=C/c1ccc(Oc2cnccn2)cc1)S(N)(=O)=O	799893446	GYFRPBKDZKDESZ-GHXNOFRVSA-N	302.315	1.422	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc3ccccc3c(=O)o2)n1	797762467	ZORXFQHBBBKUHR-UHFFFAOYSA-N	323.308	1.571	50	20	DDGD	
OB(O)[C@H]1CCN(Cc2c(F)cccc2Br)C1	585077026	RUCCKXGREPVYBP-QMMMGPOBSA-N	301.952	1.637	50	20	DDGD	
O=C(NNC(=O)c1cn2c(n1)CCCC2)c1ccc(Cl)cc1	799294264	VIHNXEPZMQQIBF-UHFFFAOYSA-N	318.764	1.948	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=CCC1CCCCCC1	799110909	JJFTXWUFRFAANH-UHFFFAOYSA-N	306.366	1.893	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NNc1ncncc1Cl	798095994	WOSBLJWASKQHDF-KOLCDFICSA-N	311.773	1.737	50	20	DDGD	
CC[C@H](C)n1nc(C(=O)NNc2nc3ccccn3n2)cc1C	791253393	VFZFNTDJZJSPSR-JTQLQIEISA-N	313.365	1.962	50	20	DDGD	
CN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(CCl)cc1	88942576	IHUVRPAAPXAPNQ-UHFFFAOYSA-N	313.810	1.980	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cccc(Cl)c2O)c1Cl	1319827765	VPEGOJSVYVTTFX-UHFFFAOYSA-N	314.132	1.828	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)CCN2CCC(C)CC2)o1	1317851274	RHWPLQITQJWQIU-UHFFFAOYSA-N	321.377	1.638	50	20	DDGD	
CCCN(CC)CCNC(=O)NNc1nncc(N)c1Cl	1319199957	AJQHIPARLWPHCQ-UHFFFAOYSA-N	315.809	1.070	50	20	DDGD	
COC(=O)NNC(=O)c1nc(C2CC2)n(-c2ccccc2)n1	1320262013	VLOGAQDURKHCFS-UHFFFAOYSA-N	301.306	1.146	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)c1Cl	1328993386	WCWQGYXXYIAOIS-ZMLRMANQSA-N	315.764	1.741	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)c1cccc(CO)c1	1322555160	KAQPSXLRAMHREQ-UHFFFAOYSA-N	304.733	1.907	50	20	DDGD	
Cc1nc([C@H](C)NC(=O)NNC(=O)c2ccccc2F)no1	1326587000	XRTCLKMYWKQPQW-ZETCQYMHSA-N	307.285	1.222	50	20	DDGD	
CCc1cc(C(=O)NNc2ccnc(Br)c2)nn1C	1320479532	YMZFFGGKTYJCHR-UHFFFAOYSA-N	324.182	1.897	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=Cc2cc(C)ncn2)c1	1324163853	XEAFTBLEAVKPMM-UHFFFAOYSA-N	300.318	1.566	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C(C)(C)Oc1ccccc1	1323204739	SBNGIJHUUBOEID-UHFFFAOYSA-N	301.346	1.644	50	20	DDGD	
O=C(CCO)NN=Cc1c(F)ccc(Br)c1F	1322629096	VLCZCKXTYQPVHG-UHFFFAOYSA-N	307.094	1.560	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cc(C3CC3)n(C)n2)nc1	1323942939	WCDKEBZFYNPFDI-UHFFFAOYSA-N	314.349	1.083	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCCN2CC=CC2)cc1	1323484160	WHYNBVGFYVOMDL-DTQAZKPQSA-N	311.385	1.980	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccc(F)c(Br)c1	1252510946	GJYMCSLGAYUNBA-UHFFFAOYSA-N	303.087	1.211	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2CCCC[C@H]2F)cc1	1331388431	QHGWKVNJMAUATQ-CHWSQXEVSA-N	309.341	1.920	50	20	DDGD	
COc1cc(C=NNC(=O)CCO)ccc1OCC(F)(F)F	1339924189	GILKZFVHAKXYBP-UHFFFAOYSA-N	320.267	1.469	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCCc1cc(OC)cc(OC)c1	1336368223	SIDRDHQUQYBKKL-QBFSEMIESA-N	304.346	1.806	50	20	DDGD	
C[C@H](NC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br)C1CCC1	1331356660	IBTGXTXQHWAZQW-IYYTYJHQSA-N	317.227	1.581	50	20	DDGD	
Nc1cnnc(NNC(=O)c2occ3c2CCOC3)c1Cl	1260178007	VATPUSVUFBUUIG-UHFFFAOYSA-N	309.713	1.135	50	20	DDGD	
C[C@H]1C(=O)NCCCN1C(=O)NC[C@@]1(C)C[C@@H]1Br	1341972586	FQAHJLJTMLQSTI-HOTUBEGUSA-N	318.215	1.080	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N2CCCCCC2)C[C@H]1Br	1347965613	PESRFLWPFIWURP-ZWNOBZJWSA-N	317.227	1.679	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2cccc(Cl)c2)n1	1340423936	FYURLMTUBZXLPR-UHFFFAOYSA-N	304.737	1.852	50	20	DDGD	
O=C(C1CCC(Cl)CC1)N1CC[C@H](N2CC[C@@H](O)C2)C1	1352199403	SVSTWTQSPPENLX-CLRIEMFWSA-N	300.830	1.452	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(CC(=O)O)cc1)[C@@H]1CCOC1	1604291045	JJBMNKRFPJWLEG-ZYHUDNBSSA-N	307.350	1.365	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NC[C@]1(C(=O)O)CCOC1	1601045829	QEINCXAWTPBFBX-NYUWMOHMSA-N	318.304	1.340	50	20	DDGD	
N#Cc1ccc(NNC(=O)CCC(=O)O)cc1C(F)(F)F	1605612975	VNPRFZSXKSEIDJ-UHFFFAOYSA-N	301.224	1.885	50	20	DDGD	
O=C(O)CC[C@@H]1CC[C@H](C(=O)NNc2ccc(Cl)nc2)O1	1602036454	WHDCDQCTSJNWPB-VHSXEESVSA-N	313.741	1.591	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cnc3cnccc3c2)nc1	1602384630	SUBFKZMKEMKFSJ-UHFFFAOYSA-N	309.285	1.480	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CCCS2)cc(C(=O)O)c1	1600270988	WJBZCDTXGWZKMM-NSHDSACASA-N	323.374	1.742	50	20	DDGD	
O=C(NC[C@@H]1CCCSC1)NNc1ncccc1C(=O)O	1605768987	OXYAYJOVQZKXQT-VIFPVBQESA-N	310.379	1.549	50	20	DDGD	
Cc1cc(COCC(=O)NNc2ccc(C)c(C(=O)O)c2)on1	1607651231	QJJFSSGMIIMSLQ-UHFFFAOYSA-N	319.317	1.650	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H](C(=O)O)C1)C12CC3CC(CC(C3)C1)C2	1601556393	XMIMEFWHONGKQN-YFKXTVSDSA-N	320.389	1.461	50	20	DDGD	
Cc1c(Cl)cccc1NNC(=O)c1cnc(C(=O)O)cn1	1607531826	XOVIJHRJTDKDMD-UHFFFAOYSA-N	306.709	1.894	50	20	DDGD	
COc1cccnc1CC(=O)NNc1ccc(C(=O)O)cc1F	1607348489	KXBCIXNRSNPWOL-UHFFFAOYSA-N	319.292	1.613	50	20	DDGD	
COC[C@H](NC(=O)NNc1ccc(C(=O)O)cc1F)C1CC1	1606807814	QYLKZWQCPPZQHR-LBPRGKRZSA-N	311.313	1.575	50	20	DDGD	
Cc1ccn(CC(=O)NNc2cccc(F)c2C(=O)O)c(=O)c1	1600595171	INSIVULLIKADRL-UHFFFAOYSA-N	319.292	1.137	50	20	DDGD	
CCc1csc(CC(=O)NNc2ccc(C(=O)O)cn2)n1	1610069646	RPLYQIDSXFVWCY-UHFFFAOYSA-N	306.347	1.485	50	20	DDGD	
Cc1cc(C=NNC(=O)NCC(=O)O)c(C)n1-c1ccccc1	1610459210	MCWQZNUKPSCSLL-UHFFFAOYSA-N	314.345	1.812	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1cc(C(=O)O)no1	1610673986	HPOIOLJWHIKIDO-UHFFFAOYSA-N	307.693	1.719	50	20	DDGD	
COC1(C=NNC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)CCC1	1549309347	HWUGFJUDAVSBPC-CHWSQXEVSA-N	320.393	1.559	50	20	DDGD	
CC(C)[C@H](N)C(C)(C)C(=O)NNc1ccc(-n2ccnc2)nn1	1575448094	WWCCCQYMMILBIY-ZDUSSCGKSA-N	317.397	1.115	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NCCN)[nH]c2c(Cl)cccc12	1579526352	JAALWBUPJLJFTL-UHFFFAOYSA-N	309.757	1.032	50	20	DDGD	
CC(C)(C(=O)O)c1csc(NC(=O)NNC(=O)C2CC2)n1	1589655581	BUXGIWOXIUCMRI-UHFFFAOYSA-N	312.351	1.068	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cnc[nH]1)C2	1845163954	DDQSGGPYPVODAS-JTQLQIEISA-N	310.785	1.244	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CC2(F)F)C1	1843853923	ZBGIFCXOWYVURD-VHSXEESVSA-N	320.767	1.862	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)c1coc(-c2nn[nH]n2)c1	1593163906	MJHSNRZDUZRLAR-UHFFFAOYSA-N	306.232	1.495	50	20	DDGD	
Cc1nc[nH]c1C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843363897	FJQYODVQOAKORF-SNVBAGLBSA-N	314.748	1.070	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1cccc(C(=O)O)c1	1594780056	GAZSOLABXMHPBI-UHFFFAOYSA-N	300.274	1.246	50	20	DDGD	
CC1(C)OC[C@@H]2C[C@]21C(=O)NNc1ccc(C(=O)O)cc1F	1593977093	MRACKKPDDSWKHS-BJOHPYRUSA-N	308.309	1.782	50	20	DDGD	
O=C(Cc1ccnc(F)c1)NNc1cccc(-c2nn[nH]n2)c1	1592927522	LJTWCUCJDRSJJM-UHFFFAOYSA-N	313.296	1.087	50	20	DDGD	
N#C/C(=C/c1cccc(-c2nn[nH]n2)n1)C(=O)NC1CCCCC1	1592662333	MWSQNYYAPSBOLY-LUAWRHEFSA-N	323.360	1.618	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=Cc1cc(C(=O)O)ccc1OC	1776101936	BZQNYWIPBHSZLS-DGCLKSJQSA-N	306.318	1.269	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1ccc(C(=O)O)c(O)c1	1776029451	SSZUVTURYZKTGJ-UHFFFAOYSA-N	320.330	1.201	50	20	DDGD	
CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Cl)C[C@@H]21	1786440327	CCYNINSQNQMRTM-ZPFDUUQYSA-N	320.792	1.301	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl)c1ncc[nH]1	1796804007	MQJSOPNCUHMVIF-JXUBOQSCSA-N	314.748	1.196	50	20	DDGD	
Cc1noc(C)c1C[C@H](C)NC(=O)NNc1cncc(Cl)n1	162356417	MHYYTAIARVCYLB-ZETCQYMHSA-N	324.772	1.992	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cnc(C(C)(C)C)s2)[nH]n1	153090755	RHAZKUJLIMIIJY-UHFFFAOYSA-N	307.379	1.547	50	20	DDGD	
O=S(=O)(CCl)NC[C@@H]1CCN(Cc2ccccc2)C1	309874145	HMSJORZLMFSKNZ-ZDUSSCGKSA-N	302.827	1.624	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)Nc1ccncc1	56498941	MLGBOKAMWMQTEW-SNVBAGLBSA-N	318.308	1.841	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc2c(c1)OCCO2	8301752	GOJSTNSHDUNTAK-UHFFFAOYSA-N	309.391	1.365	50	20	DDGD	
COc1ccc(CNC(=S)NNC(=O)c2ccccn2)cc1	8357230	GQHKXPODNDYYRS-UHFFFAOYSA-N	316.386	1.399	50	20	DDGD	
COCCOc1cccc(C(=O)NNC(=O)c2ccccc2)c1	52930488	AUYFOENPNLPSLF-UHFFFAOYSA-N	314.341	1.787	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)NC2CC2)cc1[N+](=O)[O-]	64428560	XHRDPESEUVTFFM-UHFFFAOYSA-N	308.294	1.100	50	20	DDGD	
O=C(CCc1cnn(-c2ccccc2)c1)NNC(=O)NC1CC1	64429272	SMKAKYWXARIMKU-UHFFFAOYSA-N	313.361	1.298	50	20	DDGD	
O=C(Cc1cccc([N+](=O)[O-])c1)NNc1ccc(Cl)nn1	173702071	DSQXFPMKPSCNSM-UHFFFAOYSA-N	307.697	1.724	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(OC)c(Br)c1	21772099	HFWUAGPWCGZMFT-UHFFFAOYSA-N	317.139	1.849	50	20	DDGD	
Cc1ccc(N2C[C@@H](C(=O)NNC(=O)C(C)C)CC2=O)cc1F	26238702	JWPVHWJPAZFRTQ-NSHDSACASA-N	321.352	1.290	50	20	DDGD	
CCn1c(NNC(=O)[C@H](C)C2CC2)nc2ccccc2c1=O	175228454	YJAFBKFMPJHDKC-SNVBAGLBSA-N	300.362	1.906	50	20	DDGD	
C[C@](O)(CNC(=O)NNC(=O)c1ccccc1)c1ccccc1	114516609	YZTALUHMOQIOCG-KRWDZBQOSA-N	313.357	1.538	50	20	DDGD	
CCCC1CCC(=NNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1	63421520	KSNWMDMLSAPVRF-YUZLPWPTSA-N	315.439	1.819	50	20	DDGD	
CCC[C@H]1C[C@@H](C(=O)NNC(=O)Cc2cccnc2)CCO1	180053536	CJWOOTOAJMUBHX-KBPBESRZSA-N	305.378	1.367	50	20	DDGD	
COC[C@H](CNS(=O)(=O)c1ccc(CCl)cc1)OC	300559086	SWDDRODGQPOQJG-NSHDSACASA-N	307.799	1.365	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNC(=O)c1ccc[nH]1)c1cccnc1	175905035	QWPYHIMKPASHFP-ZDUSSCGKSA-N	315.377	1.794	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NNC(=O)c1cnn(C)c1	123917466	LRAIQIONCZGIDY-WDEREUQCSA-N	304.375	1.355	50	20	DDGD	
COc1cccc(NNC(=O)c2cc(NC(C)=O)ccc2F)n1	180714325	QKKLAPRPTMIELJ-UHFFFAOYSA-N	318.308	1.945	50	20	DDGD	
CCCN1CCC[C@@H]1C(=O)NNC(=O)c1c[nH]c2ccccc12	123897418	IEJDOUUIDQLUPC-OAHLLOKOSA-N	314.389	1.803	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)n(C)n1	126054589	LFAFXWBTAXXEFD-JTQLQIEISA-N	320.324	1.096	50	20	DDGD	
NC(=O)c1cccc(CNC(=O)NNc2cncc(Cl)n2)c1	128092147	ZBSFLAFROWCLDF-UHFFFAOYSA-N	320.740	1.055	50	20	DDGD	
COc1ccc(NNC(=O)Nc2ccc([S@@](C)=O)cc2)nc1	122099362	SGQTVKGRLOXPSY-QFIPXVFZSA-N	320.374	1.976	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCCC2(CC2)C1	185696856	DFYLNLOHRIUWAG-UHFFFAOYSA-N	303.362	1.926	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)Nc2ccnn2C)cc1	124623952	GNXOCTGCJODULU-UHFFFAOYSA-N	317.349	1.214	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)c(C)c1	126129877	MERROQUELGWXCD-UHFFFAOYSA-N	305.378	1.826	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2scnc2C)c1	76960593	LFWBUMZUHPKHAJ-UHFFFAOYSA-N	320.374	1.333	50	20	DDGD	
O=C(NNC(=O)[C@@H]1OCCc2ccccc21)c1ccccc1O	123260302	KAQOOLZPQLVGAE-OAHLLOKOSA-N	312.325	1.467	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Cc1ccc(-n2cccn2)cc1	78330727	FCHDDBZGTRNAIY-UHFFFAOYSA-N	323.356	1.215	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1cccc(-n2cccn2)n1	126376105	OKFYQPFGXCYFKD-UHFFFAOYSA-N	323.312	1.048	50	20	DDGD	
COc1ccc(NNC(=O)NCc2cccc(CO)c2)nc1	189069276	XHKPJDHLNLGVCJ-UHFFFAOYSA-N	302.334	1.409	50	20	DDGD	
O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)NNc1ccccn1	79456712	STORTGUXJROQPT-JTQLQIEISA-N	317.315	1.592	50	20	DDGD	
CC(C)(C)CN(CCC#N)CC(=O)NNC(=O)c1ccccc1	182334406	FDYXMKWKUBIZBS-UHFFFAOYSA-N	316.405	1.709	50	20	DDGD	
CC(C)C(=O)Nc1nc(CC(=O)NNc2ccncc2)cs1	180491853	LITRSHGOIAUZCP-UHFFFAOYSA-N	319.390	1.818	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2cncc(Cl)n2)cc1	193953102	WLJQMRYBVMBYNW-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
CCCc1cnc(NC(=O)C(=O)NNc2ccccn2)s1	190710016	WEDVKIZSPBRTGH-UHFFFAOYSA-N	305.363	1.572	50	20	DDGD	
Cc1cc(NS(=O)(=O)CCCCCl)ccc1C(N)=O	190767467	CYYHYRKZHBFNBO-UHFFFAOYSA-N	304.799	1.855	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cc(COC)on1)c1ccccc1	80189848	XUZLNOAAZHEGSI-CYBMUJFWSA-N	317.345	1.776	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)Cc2ccncc2)c1	83064573	GIKUZUPVMQYIMP-UHFFFAOYSA-N	300.318	1.486	50	20	DDGD	
COCCOCCCNC(=O)NNc1cc(F)c(F)c(F)c1	267001095	YIDXCVSMIPOSCU-UHFFFAOYSA-N	321.299	1.783	50	20	DDGD	
CC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2ccccc2C)C1	263679806	KEPUDOPJLXDVNB-CYBMUJFWSA-N	303.362	1.015	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)NC2CC2)c(OCC(=O)O)c1	265235234	RSLJBNINHMUOSO-IZZDOVSWSA-N	316.313	1.344	50	20	DDGD	
COc1cc(C(=O)NNC(=S)N[C@@H](C)C2CC2)ccc1F	268778231	UJIMMEZYVNZYHE-QMMMGPOBSA-N	311.382	1.742	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1cccc([N+](=O)[O-])c1C	269773270	CGAGDSPKZOQXRO-UHFFFAOYSA-N	324.337	1.873	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Cc1nnc(C)o1)c1ccccc1	264681218	KSNAKIHHVIWTPM-LBPRGKRZSA-N	302.334	1.262	50	20	DDGD	
CCCN(NC(=O)C[C@@H]1CCCC(=O)N1)C(=O)OC(C)(C)C	365612726	YUUXAKKRVIVOKV-NSHDSACASA-N	313.398	1.724	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)N[C@@H]1CCO[C@H](C2CC2)C1	368153036	SCXAJWLYQHZGBX-RISCZKNCSA-N	319.361	1.294	50	20	DDGD	
O=C(NCC12CCC(CC1)C2)NNC(=O)c1ccccc1O	366921948	LGVUXJLFMRFTLQ-UHFFFAOYSA-N	303.362	1.917	50	20	DDGD	
CCCc1ncc(C(=O)NNC(=O)c2cccc(C)n2)s1	279899001	ZNZNRZPAGZMXPN-UHFFFAOYSA-N	304.375	1.874	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1cc(F)ccc1F	272406516	YDWSCPCSBYOJBQ-QMMMGPOBSA-N	317.292	1.169	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1cc(C)cc(F)c1	273418505	IVYYDTFGYSXLPH-JTQLQIEISA-N	313.329	1.338	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cc3ccccc3o2)CCO1	271218078	FNJCXIPHUZBNJQ-PWSUYJOCSA-N	317.345	1.944	50	20	DDGD	
CCOC(=O)Cc1cccc(NC(=O)NNC(=O)[C@@H](C)CC)c1	273515373	SMFWHCVONWDULM-NSHDSACASA-N	321.377	1.991	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)[C@@H]1C[C@]12CCOC2	364108022	IYHSZDIJPJTYSN-YOEHRIQHSA-N	302.374	1.583	50	20	DDGD	
C=C(C)[C@@H](CC(=O)NNC(=O)CCc1ccccc1O)OCC	270465793	RFNWRMAILGULJP-OAHLLOKOSA-N	320.389	1.844	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)N(C)C(=O)CO2	273542154	YOMQPOGUNBKFEF-SECBINFHSA-N	320.349	1.241	50	20	DDGD	
C[C@H](CCCc1ccccc1)C(=O)NNc1nccn(C)c1=O	271829539	OLGBGGBFVIUCPQ-CYBMUJFWSA-N	314.389	1.882	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	273398681	IBYPKDRTCFSBHB-UHFFFAOYSA-N	303.265	1.477	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@H]2CCO[C@H](C)C2)cc1	272017683	VDOUPAWEPCEWEO-OCCSQVGLSA-N	320.389	1.590	50	20	DDGD	
C[C@@H]1Oc2ccccc2[C@@H]1NS(=O)(=O)CBr	377382826	MOJMJBYAIKBCRD-OIBJUYFYSA-N	306.181	1.780	50	20	DDGD	
CC(C)[C@@]1(C)C[C@H]1C(=O)NNC(=O)Cn1cnc2ccccc21	274918204	KOTDMIVGIJYYND-YVEFUNNKSA-N	314.389	1.866	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)NNc2cc(F)c(F)c(F)c2)C1	371836995	NOZCNFOLLWLFDA-AWEZNQCLSA-N	315.295	1.806	50	20	DDGD	
COC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)Nc1ccccc1C	286406166	FBVJFNQWICHOGA-MNOVXSKESA-N	305.334	1.347	50	20	DDGD	
CO[C@H]1CCC[C@@H](CC(=O)NNC(=O)c2ccccc2O)C1	280905464	GBXUPDVBNWVLNC-NEPJUHHUSA-N	306.362	1.749	50	20	DDGD	
CCOC1(C(=O)NNC(=O)Cc2ccccc2F)CCCC1	284022069	QPKAESMSDURCSZ-UHFFFAOYSA-N	308.353	1.865	50	20	DDGD	
CSSCCNS(=O)(=O)c1ccc(NC(C)=O)cc1	284085949	AJJUTDDGFATHGG-UHFFFAOYSA-N	320.461	1.935	50	20	DDGD	
COc1ncccc1CCNS(=O)(=O)CCCCCl	289489966	JPTGRYHATIDFDB-UHFFFAOYSA-N	306.815	1.571	50	20	DDGD	
COc1cccc(NNC(=O)c2cnc(C3OCCO3)s2)n1	288345424	DAMGTSUXFVUZJI-UHFFFAOYSA-N	322.346	1.349	50	20	DDGD	
CCOC(=O)[C@@H]1CC[C@H](NC(=O)NNc2ncccc2C)C1	281578832	PGMJHZVURVCOIT-NEPJUHHUSA-N	306.366	1.748	50	20	DDGD	
COc1cc(C(=O)NNc2nccnc2C2CCC2)nn1C	287320143	WVPDRAVDQVUUNP-UHFFFAOYSA-N	302.338	1.243	50	20	DDGD	
COc1ccc(NNC(=O)Nc2cc(C3CC3)n(C)n2)nc1	289719403	CBMQZBJUGDIJNB-UHFFFAOYSA-N	302.338	1.850	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cc1	297833114	GTPMPYAEVUOAMA-GFCCVEGCSA-N	318.377	1.475	50	20	DDGD	
CC[C@H](C)[C@@H](CNC(=O)NNC(=O)Cc1cccnc1)OC	296276299	HXHJNEMYEWSBTI-WCQYABFASA-N	308.382	1.016	50	20	DDGD	
CO[C@](C)(CNC(=O)NNC(=O)Cc1ccc(F)cc1)C1CC1	291413027	FMDPSYTZCCYBAZ-MRXNPFEDSA-N	323.368	1.514	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(C(C)(C)O)cc1	807975209	KGMRVRJLHMUVID-LBPRGKRZSA-N	308.378	1.416	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cn2ccnc12	296788722	GRWTVYYSDDEIIJ-JQWIXIFHSA-N	317.349	1.363	50	20	DDGD	
COC[C@@H](C)OC(=O)/C(C#N)=C\c1ccc(C(=O)OC)cc1	298790792	IRRRYCPWVCFYNN-ZEVOCZHWSA-N	303.314	1.958	50	20	DDGD	
C[C@H](Oc1cccc(F)c1)C(=O)NNC(=O)N=c1cc[nH]cc1	802031698	KPFRPXHDRSRIFS-JTQLQIEISA-N	318.308	1.263	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)CCOc2ccccc2)nn1	807967104	NDOTWTSDOPXGOZ-UHFFFAOYSA-N	301.350	1.778	50	20	DDGD	
Cc1nc2cc(F)cc(C(=O)NNC(=O)CC3CC3)c2nc1C	294134952	LFTTYJJJKLFPMY-UHFFFAOYSA-N	316.336	1.947	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccc3oc(O)nc3c2)n1	806901080	DWTYXQJVQVECQQ-UHFFFAOYSA-N	314.305	1.146	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)Nc2cc(F)cc(F)c2)CCO1	802001817	VKLCLEWAQPXRJS-RKDXNWHRSA-N	313.304	1.933	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2nnn(C)c2C)c(Cl)c1	802049462	NAISUJITWOEGJR-UHFFFAOYSA-N	322.756	1.552	50	20	DDGD	
CCCCN(C)C[C@@H](C)NC(=O)NNc1nc(C)cc(C)n1	292048766	RKEGYGNUPVLXND-CYBMUJFWSA-N	308.430	1.840	50	20	DDGD	
CCC[C@@H](C)C(=O)NCCNC(=O)NNc1ncccc1C	292656065	CMFUUKWCOYRDAY-GFCCVEGCSA-N	307.398	1.569	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1cccc(NC(C)=O)c1	293961341	PUXIJWYECPHEEG-UHFFFAOYSA-N	322.365	1.614	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccn1	296990856	UIONVNMUJZECKD-LBPRGKRZSA-N	320.393	1.259	50	20	DDGD	
O=C(NCc1nc(C2CC2)n[nH]1)NNc1ccc(Cl)nc1	298200446	TYAGYSHDTHPSGF-UHFFFAOYSA-N	307.745	1.557	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2ccc(C#N)cc2)CCC1(F)F	290883694	SPAPFUUZTKCVLQ-JTQLQIEISA-N	322.315	1.890	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccnc3cc(Cl)ccc23)n1	806358009	NEIULOKCLVKREF-UHFFFAOYSA-N	302.725	1.774	50	20	DDGD	
O=C(NCC(Cl)Cl)c1ccc(=O)n(-c2ccccc2)n1	808131896	XTRWQNZSKRGHDW-UHFFFAOYSA-N	312.156	1.766	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	294351746	MATSCHNYXQIUGM-ZWNOBZJWSA-N	312.341	1.556	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)C2(C(C)=O)CC2)o1	294117868	NEQXLJSMBHCKQU-UHFFFAOYSA-N	321.377	1.252	50	20	DDGD	
COCCN(C)NC(=O)c1sc(-c2ncccn2)nc1C	808075451	ZLPMUTKSPURCLL-UHFFFAOYSA-N	307.379	1.132	50	20	DDGD	
C[C@H](c1ccccc1)[C@](C)(O)C(=O)NNC(=O)[C@@H]1CCCCO1	295749036	OPLXMVZUJUDYLS-IFIJOSMWSA-N	320.389	1.258	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCC(C)CC1)c1cn(C)c(C)n1	800808449	LCFSDCLMMBCDOP-CYBMUJFWSA-N	319.453	1.937	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)CCCC#N	291825422	DGJINOKIVNWYKS-UHFFFAOYSA-N	307.375	1.629	50	20	DDGD	
CCOCC(C)(C)NCC(=O)NNC(=O)c1ccc(C)cc1	815136709	LWGWTTCYRUUVHP-UHFFFAOYSA-N	307.394	1.161	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccnnc1)c1ccc(OC)cc1	817693582	RJUSZEMQJKCPLY-CQSZACIVSA-N	314.345	1.440	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)COCc1ccccc1	811643377	CRXYWLJPABCYMN-CQSZACIVSA-N	303.362	1.364	50	20	DDGD	
NC(=O)c1cccc(C=NNC(=O)COc2ccccc2O)c1	814952191	OSQIETBKFNIRER-UHFFFAOYSA-N	313.313	1.020	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccnc(OCC(F)F)c1	817078088	SFMFOVMMLHCARC-UHFFFAOYSA-N	313.239	1.412	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCCCCCC(=O)O)cc1	819095596	DJPRBYBEQPIUSX-UHFFFAOYSA-N	318.333	1.147	50	20	DDGD	
CN1CCCC(C)(C)[C@@H]1CNC(=O)NNc1ncncc1F	814327185	WKZZBWJDLUHILM-NSHDSACASA-N	310.377	1.362	50	20	DDGD	
CC(C)CN1C[C@H](C(=O)NNc2cccc(Cl)n2)CC1=O	817012066	WQYVYYYSKSFBFY-SNVBAGLBSA-N	310.785	1.683	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCCC[C@H]2C)cc1	819018880	ZAWVXCUVEXJVIT-TZMCWYRMSA-N	317.389	1.907	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)c2cnccn2)cc1	729689457	LOOQMBPXFXWQGB-UHFFFAOYSA-N	316.390	1.174	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=C1CSCCc2ccccc21	814956901	GYOAUUJRJBTHDB-UHFFFAOYSA-N	300.387	1.762	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNc2ncncc2F)ccc1C	814656153	SLFLLXVCIBFFJN-UHFFFAOYSA-N	319.296	1.859	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1ccc(Cl)cc1OC	817326711	UTLKXSQXXIMSLZ-UHFFFAOYSA-N	313.741	1.545	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCC[C@H]1c1ccccc1	822232507	MLQYMNUEJONXFH-UONOGXRCSA-N	317.389	1.242	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)nc(N)n1	828372223	VAEKJJVJLJOTCR-KOLCDFICSA-N	319.315	1.892	50	20	DDGD	
CN(CC(=O)NNc1ccc2c(=O)[nH]ccc2c1)CC(C)(C)C	822778441	HKQXXPJSISNTSQ-UHFFFAOYSA-N	316.405	1.949	50	20	DDGD	
COC(=O)N[C@@H](CC(C)C)C(=O)NN(C)C(=O)OC(C)(C)C	496093812	OQTSMUVLLXJMNV-JTQLQIEISA-N	317.386	1.655	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)c1ccc(OC)c(Cl)c1	495311206	CCMNNAGBPWSNLG-UHFFFAOYSA-N	300.698	1.309	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)N[C@@H]2CO[C@H](C)C2)c1	828420422	KYRRUCQTSIMFHH-OLZOCXBDSA-N	321.377	1.190	50	20	DDGD	
CCn1nnc(C)c1/C=C(/C#N)C(=O)NCCCOC(C)C	491011446	OXAAKKCFQRFAIX-LCYFTJDESA-N	305.382	1.445	50	20	DDGD	
CCc1nc([C@H](C)NC(=O)[C@@]2(C)C[C@@H]2Br)n[nH]1	823484745	VWMUXDGTGLNVBE-HFJPGXAFSA-N	301.188	1.718	50	20	DDGD	
Cc1ccccc1CN1CCN(S(=O)(=O)CCl)CC1	820773596	BIPQSDGCIAAZAY-UHFFFAOYSA-N	302.827	1.639	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N(C)CCOc1ccccc1	827314873	KFZMYSBTTOFZND-GXTWGEPZSA-N	321.377	1.163	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)NNc1cccc(F)c1)C2	496965984	BYMHEQOGRODPQV-BPNCWPANSA-N	319.336	1.912	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)C(=O)NC)cc1	490726638	SIRPUWSIHOOADJ-VSXLWIIGSA-N	301.346	1.243	50	20	DDGD	
CCN(CCO)NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	823870090	YEANXQKQRJMLAH-JBLDHEPKSA-N	305.216	1.286	50	20	DDGD	
CC(C)c1nccn1CC(=O)NNC(=S)NCC1CCC1	824328119	OXXIFALBNDWOKC-UHFFFAOYSA-N	309.439	1.302	50	20	DDGD	
O=C(NNc1ncccc1C(F)(F)F)c1cc2n(n1)CCC2	825984862	OXZONBIZDZLVAH-UHFFFAOYSA-N	311.267	2.000	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccccc1SCCC#N	495409143	WXNGSKXSSSVUCA-UHFFFAOYSA-N	322.346	1.018	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCCCN2C2CCCC2)n[nH]1	827018119	BQRATKCAFGHDEX-CQSZACIVSA-N	319.409	1.276	50	20	DDGD	
COCCCNC(=O)NN=C(C)[C@H](C)NC(=O)OC(C)(C)C	496065464	XINOJNNOMWTXPQ-JTQLQIEISA-N	316.402	1.611	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H]1CCN(CCCOCC)C[C@H]1C	491159685	JFGSGUHQNLTJIO-SUKJIKOTSA-N	323.437	1.684	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NC[C@H](CO)[C@@H]1CCOC1	491012233	QOBSOQKFIIYDKF-ZWJJSVNDSA-N	316.357	1.060	50	20	DDGD	
C[C@@]1(C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)C[C@H]1Br	907963982	YRCJAPPOJZNNID-JXVAYASWSA-N	317.183	1.117	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)C1(C(=O)C2CC2)CC1	822873542	VJEGMPSAABEJNF-UHFFFAOYSA-N	316.357	1.362	50	20	DDGD	
C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(B(O)O)c(F)c1	584953161	YSFOVDIEKLLYPH-JRPNMDOOSA-N	305.158	1.299	50	20	DDGD	
COc1cc2ccccc2cc1C(=O)NNC(=O)c1c[nH]nc1C	732083313	QZHYSIOHVCDHOJ-UHFFFAOYSA-N	324.340	1.955	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N1CCC(C#N)CC1)c1ccccc1	731222936	ZNHVCTOQIXPFRI-UHFFFAOYSA-N	314.389	1.941	50	20	DDGD	
CN(N/C=C1/C(=O)NC(=O)c2ccccc21)C(=O)OC(C)(C)C	490809508	YEFWAHLMPLVDAP-FMIVXFBMSA-N	317.345	1.669	50	20	DDGD	
O=C(NCc1cc2ccccc2o1)NNC(=O)[C@@H]1CCCCO1	836246583	XRMKGCHBKKOMDG-AWEZNQCLSA-N	317.345	1.832	50	20	DDGD	
CNC(=O)[C@@H]1CCCN(C(=O)[C@@]2(C)C[C@H]2Br)C1	906645728	YLZWYHAUYVBLIA-LNLATYFQSA-N	303.200	1.145	50	20	DDGD	
Cc1nnsc1C(=O)NNC(=O)c1cc2c(s1)CCC2	731667808	XXHNLHNYGGCTGO-UHFFFAOYSA-N	308.388	1.472	50	20	DDGD	
COc1cc(C=NNC(=O)c2c[nH]nc2C)cc([N+](=O)[O-])c1O	735411695	QHYDNYJMWDOULI-UHFFFAOYSA-N	319.277	1.104	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1ncccn1	735834026	WXZWJGKKUGYHHX-UHFFFAOYSA-N	314.389	1.844	50	20	DDGD	
O=C(O)[C@H]1CCC[C@H](C(=O)NNc2cnnc3ccccc23)C1	833184339	QBQMXDBYJKOEAH-QWRGUYRKSA-N	314.345	1.964	50	20	DDGD	
Cc1nn(C(C)C)c(C)c1C=NNC(=O)N1CCN(C)CC1	901227869	REZGUXDMJFWLQP-UHFFFAOYSA-N	306.414	1.372	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)N[C@H](C1CCC1)C1CC1	836688767	LLYJFLQCQCYCEZ-OAHLLOKOSA-N	302.378	1.533	50	20	DDGD	
C=CCONC(=O)NNC(=O)[C@H](C)Oc1ccc(OCC)cc1	838701673	DQNQLJVUVQZWOX-NSHDSACASA-N	323.349	1.301	50	20	DDGD	
C[S@@](=O)CCNC(=O)NNC(=O)c1ccc2ccccc2c1	735091157	LLRUPQCRQKRRLZ-JOCHJYFZSA-N	319.386	1.162	50	20	DDGD	
CC1=NO[C@](C)(C(=O)NNC(=O)c2cc3ccccc3o2)C1	903750249	VWXDPLLNXSNZFI-HNNXBMFYSA-N	301.302	1.749	50	20	DDGD	
CC(C)(c1ccccc1)C1(NC(=O)c2cccc(B(O)O)c2)CC1	584999708	LAKKCXWWEIQRQG-UHFFFAOYSA-N	323.201	1.607	50	20	DDGD	
CC(C)C[C@@H](NC(=O)O)C(=O)NNc1cnnc2ccccc12	736417556	VYUXRXCOCHDAPR-GFCCVEGCSA-N	317.349	1.755	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCC(C)(C)C2=CCCC2)cn1	836672709	KIGPJMRHEZNCJH-UHFFFAOYSA-N	305.382	1.501	50	20	DDGD	
CC[C@@H](Nc1ccccc1)C(=O)NNC(=O)c1c[nH]nc1C	733152021	GASNNXHSPJSWDP-CYBMUJFWSA-N	301.350	1.370	50	20	DDGD	
C=C(C)CCNC(=O)NNC(=O)COc1ccc(C#N)cc1	838661356	VBMGJKUPICRAMH-UHFFFAOYSA-N	302.334	1.234	50	20	DDGD	
Cc1nn2c(CN3CC[C@H](B(O)O)C3)c(C(C)C)nc2s1	585076991	RQEASYHXNCSBBW-JTQLQIEISA-N	308.216	1.271	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CN(C)C)c1c(Cl)cccc1Cl	733359205	HJDMOYPNFLUEFJ-MRVPVSSYSA-N	318.204	1.806	50	20	DDGD	
CC[C@H](C)n1nc(NC(=O)NNC(=O)[C@H]2CCCCO2)cc1C	836495951	VBFXAUGELUEZFU-CMPLNLGQSA-N	323.397	1.884	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(C[C@H](C)NC(=O)NNC(=O)C2CCCC2)C1	919924476	KJROGPDHINFDLQ-MJBXVCDLSA-N	324.469	1.873	50	20	DDGD	
COc1ccccc1-c1nc(C(=O)NN(C)C[C@H](C)O)cs1	910168019	LYICVNSNWBZADP-JTQLQIEISA-N	321.402	1.776	50	20	DDGD	
O=C(CSC[C@@H]1CCCCO1)NNC(=O)[C@H]1CCCCO1	833250053	BIXMLECEHJZASD-NWDGAFQWSA-N	316.423	1.005	50	20	DDGD	
C=CCOc1cccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	831352723	ZVGWARYRFAVWCC-SMDDNHRTSA-N	319.361	1.829	50	20	DDGD	
COC(=O)[C@H]1CN(C)CCN(/C(=C\C#N)c2ccc(F)cc2)C1	839630918	RTUGBPHSUDTBSQ-DCOUHSHFSA-N	317.364	1.727	50	20	DDGD	
CCOc1ccc(NNC(=O)NC[C@@H]2CCOC[C@H]2OC)cc1	838661180	WOJMHZKKCQKGTI-SWLSCSKDSA-N	323.393	1.763	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNC(=O)c1c[nH]c2ccccc12	839474035	VZBFJYLLZVFQEN-NSHDSACASA-N	316.361	1.077	50	20	DDGD	
Cc1ncc2c(n1)CC[C@H](NC(=O)NNc1cccc(C#N)c1)C2	916317464	PVOIPMMZRXNHNB-AWEZNQCLSA-N	322.372	1.840	50	20	DDGD	
C[C@@H]1CCC[C@@H](C(=O)NNC(=O)CNC(=O)c2cccs2)C1	741552473	DUQZTGNIBPVTGY-GHMZBOCLSA-N	323.418	1.452	50	20	DDGD	
COc1cccc(C(=O)CCCC(=O)NN(C)C[C@@H](C)O)c1	910147036	ISCOZGMQGKFYML-GFCCVEGCSA-N	308.378	1.392	50	20	DDGD	
O=C(NNC(=O)C1CC2(CCC2)C1)c1ccc2c(c1)OCCO2	843524352	YHOSEYLTYVAXNW-UHFFFAOYSA-N	316.357	1.799	50	20	DDGD	
CC(C)CO[C@@H](C)C(=O)NNC(=O)COc1ccc(F)cc1	915263170	SYVITKYBOHXLGJ-NSHDSACASA-N	312.341	1.413	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNc1cc(O)nc2ncccc12	913989895	SZGCZOCKAPRITI-ZJUUUORDSA-N	304.350	1.697	50	20	DDGD	
Cc1cc(C)n(-c2ccc(C(=O)NN(C)C[C@@H](C)O)cc2)n1	910184211	XHLWDDTXUHCQSS-CYBMUJFWSA-N	302.378	1.447	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)C(=O)N2CCCC2)c(C)c1	841622505	VQKVGYYTFYQOPE-UHFFFAOYSA-N	303.362	1.466	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CCO[C@H]2C)ccc1OCC#N	842559015	STFCSAGJLCOGLR-AAEUAGOBSA-N	317.345	1.473	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1CCc2ccc(F)cc21	748781695	ZQCYNVGKJIBWMN-LBPRGKRZSA-N	319.380	1.561	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc(C)[nH]c2C)cc1OC	914747866	RQLLOKJIQRMFCC-UHFFFAOYSA-N	317.345	1.724	50	20	DDGD	
C/C(=C/c1ccc(C)cc1)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843656778	NLGAQVDRZSPWIN-JQQVXKHSSA-N	302.374	1.971	50	20	DDGD	
C[C@H](CN)NC(=O)NNC(=O)Nc1ccc(Cl)cc1Cl	841971413	QFDIAYZHGIRTRG-ZCFIWIBFSA-N	320.180	1.676	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCCc2sccc21	843655209	UUTHJNDIXDOHBX-UMNHJUIQSA-N	308.403	1.740	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)c1n[nH]c(O)n1	749289881	UVGZQSRQEAEUKR-UHFFFAOYSA-N	312.127	1.338	50	20	DDGD	
O=C(NN=C1CCCn2ccnc21)Nc1ccc2c(c1)OCO2	848412412	QGZXCIWZDYZJRL-UHFFFAOYSA-N	313.317	1.931	50	20	DDGD	
CCN(CC(=O)NN(C)C[C@@H](C)O)Cc1ccccc1Cl	910150424	REMICYYLEWNOQO-GFCCVEGCSA-N	313.829	1.506	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2cccc3c2CCCN3)nn1	841994739	OHRIBQKAYMKKJL-UHFFFAOYSA-N	312.377	1.969	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@H]1CCc2ccccc2C1	844380338	RYKXIAXCNOUYNE-INIZCTEOSA-N	309.369	1.577	50	20	DDGD	
Cc1cc(C)c2c(c1)C(=NNC(=O)[C@H]1CCO[C@H]1C)C(=O)N2	842552939	CQGLETIQPOKCFW-QWRGUYRKSA-N	301.346	1.501	50	20	DDGD	
O=C(Cc1coc2cc(F)ccc12)NNC(=O)c1ccccn1	748286267	RWTMDYSFOBZPOX-UHFFFAOYSA-N	313.288	1.971	50	20	DDGD	
O=C(NC[C@H]1CCCNC1)NNC(=O)c1cc2ccccc2o1	841928986	WJGUJKRIVRGORF-NSHDSACASA-N	316.361	1.376	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)N[C@H]2COC[C@H]2C)cc1	925990015	DHNLNFSLTYBPLX-YPMHNXCESA-N	323.418	1.452	50	20	DDGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1[C@H]2CC[C@H]1CC(=O)NC2	750058914	ZRHHZFOKRACHPC-OEYDBUHBSA-N	312.329	1.812	50	20	DDGD	
O=C(COc1ccccc1F)NN=C1CCCn2nccc21	853265826	JOUXCPBKDXXQHS-UHFFFAOYSA-N	302.309	1.715	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(Br)nc2)o1	752522949	KDXNWVBEKTYQLS-UHFFFAOYSA-N	324.134	1.820	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCSC[C@@H](C)C1	753837254	JPRLGMLUMZIVHD-RYUDHWBXSA-N	301.456	1.253	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)COc2ccc(C)cc2)c(C)n1	858141490	PVXARQVQNAZCHE-UHFFFAOYSA-N	316.361	1.360	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NNC(=O)C(C)(C)C	858523734	ZOBLISWBGJYGKB-SNVBAGLBSA-N	315.414	1.825	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)COc2ccc(C)c(C)c2)O1	756900914	DESOUYPHZVLRDN-UKRRQHHQSA-N	320.389	1.787	50	20	DDGD	
Cc1ccc(C(=O)NNC(=S)Nc2ccc(C(N)=O)cc2)o1	752243679	HRKQVUYNPVDDCM-UHFFFAOYSA-N	318.358	1.318	50	20	DDGD	
CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@]1(C)C[C@H]1Br	923266759	SXLCEIGRSSHHPP-WGBDABJCSA-N	301.228	1.855	50	20	DDGD	
CCn1ccnc1C=NNC(=O)CCCNC(=O)C(C)(C)C	853407014	BHFVZRVKFTWTPQ-UHFFFAOYSA-N	307.398	1.296	50	20	DDGD	
CN(Cc1ccon1)C(=O)NNC(=O)c1cc2ccccc2o1	750287983	BJIPUCRVQWBXKI-UHFFFAOYSA-N	314.301	1.907	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NC[C@H](C)C1CC1	920049679	PFKXIHSMFQBOIW-JTQLQIEISA-N	315.377	1.633	50	20	DDGD	
O=C(NCC1CC(F)(F)C1)NNC(=O)c1cccc(F)n1	852350350	RHIYPDBETCEMCX-UHFFFAOYSA-N	302.256	1.210	50	20	DDGD	
CC(=O)NNC(=O)c1nc(C(C)C)ncc1Br	929182402	MSVFQEWWOCIJMV-UHFFFAOYSA-N	301.144	1.143	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(C2CCCCC2)CC1	923344061	ZGCIOXBIQKYGSV-LLVKDONJSA-N	310.394	1.836	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)Nc2cnns2)cc1	755336128	HDONCHCAIIVJGT-UHFFFAOYSA-N	323.403	1.792	50	20	DDGD	
C=CC[C@H]1CCCCC1=NNC(=O)Cc1cc(O)nc(O)n1	853313403	LUDXDSJDBKDUPI-JTQLQIEISA-N	304.350	1.669	50	20	DDGD	
COc1c(F)cc(F)cc1NC(=O)NNC(=O)c1ccncc1	757688342	XZIJATXQRRBMJR-UHFFFAOYSA-N	322.271	1.835	50	20	DDGD	
N#CSCCCNC(=O)C1CCC(NC(=O)C2CC2)CC1	854359162	HGKJUTDTBOVUEV-UHFFFAOYSA-N	309.435	1.792	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C2CC(F)(F)C2)c(C)c1	754013964	KRIYMFMHYSLKQJ-UHFFFAOYSA-N	311.332	1.908	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1ccccc1O)[C@H]1CCCO1	756736113	ANMMRCAYYTZUKJ-DGCLKSJQSA-N	307.350	1.294	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccncc2)ccc1[N+](=O)[O-]	751282281	JKHUMAOJKQORHA-UHFFFAOYSA-N	316.273	1.073	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](C)COc2ccccc2)o1	752876843	AZORXANWIDGOQM-NSHDSACASA-N	317.345	2.000	50	20	DDGD	
NC(=O)COc1ccccc1C(=O)NNc1cccnc1Cl	754488193	VZYLVJYQUBXZDB-UHFFFAOYSA-N	320.736	1.356	50	20	DDGD	
COc1cc(C)sc1C(=O)NNC(=S)NCC1CCC1	855091687	ZUYCKSRQLKKVPC-UHFFFAOYSA-N	313.448	1.974	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C2(C#N)CC(C)C2)c1	758151908	KWPOXFQXQNQDDO-UHFFFAOYSA-N	301.346	1.461	50	20	DDGD	
NC(=O)c1csc(C=NNC(=O)CNc2ccccc2F)c1	755881421	YCFDDEZQFLLORJ-UHFFFAOYSA-N	320.349	1.548	50	20	DDGD	
CC1CCN(C[C@@H](C)C(=O)NN=C2CCCn3nccc32)CC1	853278774	HPCMKCZSCVEIIZ-CQSZACIVSA-N	317.437	1.865	50	20	DDGD	
CN(C)C(=O)c1ccc(C=NNC(=O)CNc2ccccc2)[nH]1	752160445	PVPADQCHSLQBBD-UHFFFAOYSA-N	313.361	1.279	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2CC2)cc1N1CCOCC1	864443739	HXWOKRGGZSMFRQ-UHFFFAOYSA-N	303.362	1.003	50	20	DDGD	
C[C@H](NNC(=O)[C@@H](C)Sc1nnnn1C1CC1)C(F)(F)F	862308745	HEEBLUXWNQPOBU-RITPCOANSA-N	324.332	1.060	50	20	DDGD	
Cc1cc(S(C)(=O)=O)cc(C(=O)NNc2cnccn2)c1C	760151768	VUPOUFPUXNGCDK-UHFFFAOYSA-N	320.374	1.254	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCCC[C@H]1C(N)=O	767029456	JLPUFDKWWOWXPY-IUCAKERBSA-N	305.216	1.662	50	20	DDGD	
Cc1cc(F)ccc1NC(=O)C(=O)NNC(=O)CC(F)(F)F	764115939	ZVQPEGBEXUPXIF-UHFFFAOYSA-N	321.230	1.172	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)CO)c(C)c1Br	863903576	LTBDZGAYUNMOBX-UHFFFAOYSA-N	315.167	1.128	50	20	DDGD	
C=CCCOCC(=O)NNC(=O)CSc1ccccc1O	764047361	HCVKZLSYHFYLLZ-UHFFFAOYSA-N	310.375	1.224	50	20	DDGD	
O=C(CCOC[C@H]1CCCO1)NNCC(F)(F)C(F)(F)F	863093473	NLIBVGAXHGTACT-MRVPVSSYSA-N	320.258	1.391	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)nc1	860445959	JLURWKQKWMYWLT-QYTUQVAYSA-N	307.350	1.371	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)Cc1c(C)nc2sccn12	761913930	QCUNBWDMOHABLM-JTQLQIEISA-N	323.422	1.082	50	20	DDGD	
CCCC(=O)N1CCC[C@@H](C(=O)NN[C@H](C)C(F)(F)F)C1	862310459	XWFKWFPCEZTXSG-NXEZZACHSA-N	309.332	1.597	50	20	DDGD	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NNC(=O)c1cn[nH]c1	862472191	HSMJQVGBOOMYHT-RTXFEEFZSA-N	308.382	1.545	50	20	DDGD	
CCCCOc1ccccc1NC(=O)C(=O)NNC(=O)CC	763432074	VFUVVVYZZCSWMN-UHFFFAOYSA-N	307.350	1.361	50	20	DDGD	
CSC1(CNC(=O)NNC(=O)c2cn[nH]c2)CCCCC1	1119299641	VJRDZFGEIFKAHC-UHFFFAOYSA-N	311.411	1.420	50	20	DDGD	
CC(C)OCc1ccc(NC(=O)C(=O)NNC(=O)C(C)C)cc1	763816463	HIUSCHLKRQQZHN-UHFFFAOYSA-N	321.377	1.354	50	20	DDGD	
Cc1cc(O)cc(=O)n1CC(=O)NNc1c(F)cccc1F	760124247	AGTCEZWMDARHJN-UHFFFAOYSA-N	309.272	1.284	50	20	DDGD	
CCOc1cccc(C=NNC(=O)c2sc(N)nc2C)c1O	874105286	YJWBFTUJKKVBPW-UHFFFAOYSA-N	320.374	1.902	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CN2C[C@H]3CC=CC[C@H]3C2)cc1	879529992	IPAJXAJQMNFNDX-IYBDPMFKSA-N	324.384	1.217	50	20	DDGD	
N#CC1=CCN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)CC1	1116432471	FPXGSYNBTWBUHW-UHFFFAOYSA-N	324.340	1.034	50	20	DDGD	
Cc1cccc(NNC(=O)NCc2nnc3n2CCCCC3)n1	875012693	XOYFAXGIEYZZDP-UHFFFAOYSA-N	315.381	1.534	50	20	DDGD	
O=C(CN1C[C@H]2CC=CC[C@H]2C1)NNC(=O)c1ccc(F)cc1	879528847	CYVWFHPWEAMTSX-OKILXGFUSA-N	317.364	1.485	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)Cc1ccccc1F	771886935	GOILGXKRXXPJGO-NSHDSACASA-N	324.352	1.493	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)C(=O)NNc2ncccn2)c1	773721771	UAZBUYVGMDQUNQ-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
COC(=O)c1cn(CC(=O)NNc2ccccn2)c2ccccc12	777475265	WSEJJNIPKJAFMK-UHFFFAOYSA-N	324.340	1.966	50	20	DDGD	
CCCCCCNC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1118813879	PKXITSANYFOLQK-GXFFZTMASA-N	319.243	1.973	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@H]1CCCS(=O)(=O)C1	771343944	JJJUKOWEDQJVQH-JTQLQIEISA-N	315.370	1.337	50	20	DDGD	
CC1=NO[C@@H](CNC(=O)NNc2cc(F)c(F)c(F)c2)C1	875972569	QUBLSAQGDXWGDN-MRVPVSSYSA-N	302.256	1.895	50	20	DDGD	
O=C(CC1COC1)NNC(=O)c1cc2c(s1)CCCCC2	771610743	XRUJSBKWVLRBCQ-UHFFFAOYSA-N	308.403	1.815	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2cccc(F)c2Cl)CCC(=O)N1	875653514	GLQMUUASPPCHCH-ZDUSSCGKSA-N	314.748	1.774	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCc1ccc(F)cc1	771902754	QRNCVESUATUHSG-SNVBAGLBSA-N	310.325	1.247	50	20	DDGD	
CC1CCN(CCCNC(=O)NNc2ccc(C#N)cn2)CC1	887640430	ZRPLTURCVZYENJ-UHFFFAOYSA-N	316.409	1.701	50	20	DDGD	
O=C(CCN1CCOCC1)NNc1c(F)cc(F)cc1F	885150694	GUSFYZAGHVDROQ-UHFFFAOYSA-N	303.284	1.269	50	20	DDGD	
Cc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)c1c[nH]nc1C	772230000	KQSJBEVXISUFQH-UHFFFAOYSA-N	303.278	1.010	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNc2cnccn2)cc1C	770017327	SXVRXXDYZAAASC-UHFFFAOYSA-N	301.306	1.720	50	20	DDGD	
COCC(=O)N(C)CC(=O)NNc1ccc(F)cc1Cl	885136601	CRSRYAWRSKBLNC-UHFFFAOYSA-N	303.721	1.027	50	20	DDGD	
CNC(=O)NNC(=O)Cc1ccc(Br)c(Cl)c1	786818509	GTTVJHOYUDYEKU-UHFFFAOYSA-N	320.574	1.605	50	20	DDGD	
Cc1nc(C(C)(C)C)sc1C(=O)NNC(=O)c1cccnn1	882060689	UVMNADHKQAQVQB-UHFFFAOYSA-N	319.390	1.614	50	20	DDGD	
C[C@@H](CN1CCOCC1)OC(=O)/C(C#N)=C\c1ccccc1	785366179	NMNHNIUINBZAIK-HNDQUVLASA-N	300.358	1.857	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNc1ncncc1Cl	781829782	GAWJAKBLKQPCRE-UHFFFAOYSA-N	303.709	1.524	50	20	DDGD	
COCC(=NNC(=O)C(=O)Nc1ccccn1)C1CCCC1	780229568	IWPKHMVFZCRIJZ-UHFFFAOYSA-N	304.350	1.329	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@@H](C)OC[C@@H]1CCCO1	788181483	SOCWLVCNLGDXOR-PWSUYJOCSA-N	312.341	1.862	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@H](CCO)C1CCOCC1	780843026	RTEQAVDADRKXQI-GFCCVEGCSA-N	313.847	1.102	50	20	DDGD	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)NNC(=O)c1cccnn1)C2	883130505	HUUPNNSFICJANA-PKWAYOAASA-N	317.393	1.635	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1ccc(C#N)cc1Cl	788424431	FKHCQEUFYPMQLZ-UHFFFAOYSA-N	318.764	1.674	50	20	DDGD	
Cn1c(C(=O)NNC(=O)C2CCOCC2)cc(Cl)c1Cl	883061316	PZAVZBRIIZIOJK-UHFFFAOYSA-N	320.176	1.520	50	20	DDGD	
O=C(Cn1nnc(-c2ccccc2)n1)NN=C[C@H]1CCSC1	782114719	RXMDNUPFWREDSG-LLVKDONJSA-N	316.390	1.195	50	20	DDGD	
CN1C(=O)CCC[C@H]1C(=O)NNc1ncccc1C(F)(F)F	895265825	AAUYVWFZHFCOGL-VIFPVBQESA-N	316.283	1.554	50	20	DDGD	
COc1cc(NNC(=O)COC2CCOCC2)ccc1Cl	790188147	XTWUEDKIMGBKOR-UHFFFAOYSA-N	314.769	1.987	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2CCCC23CCOCC3)n1	799870366	IINOZAKJQAICMP-UHFFFAOYSA-N	304.394	1.953	50	20	DDGD	
C[C@H]1COCCC1=NNC(=O)c1nnc(O)c2ccccc12	794470894	MOUCADZIWCEVSJ-VIFPVBQESA-N	300.318	1.478	50	20	DDGD	
COc1cccc(C2(C(=O)NNC(=O)c3cccnc3)CC2)c1	794604187	FFXSPCOUCAAKCP-UHFFFAOYSA-N	311.341	1.583	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCCC2CCOCC2)n1	798972806	QXGYBSBDDPAWTA-UHFFFAOYSA-N	308.382	1.834	50	20	DDGD	
Cn1cc(C(=O)NNc2nc3ccccn3n2)c(-c2ccoc2)n1	790061484	SJPQRBPXYOPXHR-UHFFFAOYSA-N	323.316	1.480	50	20	DDGD	
CC[C@@H](C)CCC(=O)NNC(=O)c1nnc(O)c2ccccc12	794774433	GHDDDKACBOUIJM-SNVBAGLBSA-N	316.361	1.923	50	20	DDGD	
COc1ccc(NNC(=O)c2cn(C)nc2-c2ccoc2)nc1	790042470	HTXUSXRZJBHGPK-UHFFFAOYSA-N	313.317	1.841	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)cc1)c1cc(C)n(C)n1	799871773	GWYXQFZDDANYCE-UHFFFAOYSA-N	313.361	1.516	50	20	DDGD	
O=C(CCc1nc2cccnc2[nH]1)NNC(=O)C1CCCC1	1318649784	SLWDLAJJEMVOEJ-UHFFFAOYSA-N	301.350	1.228	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1ccnc(OC2CCC2)c1	1319538806	HVKKQVVJPOAUPR-UHFFFAOYSA-N	312.329	1.483	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)c1cncn1-c1ccccc1	1319980525	DUXLSLNTEGPNTG-ZDUSSCGKSA-N	318.402	1.775	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cncn1-c1ccccc1)C1CC1	1321029913	VUXFPZHQUVMCMS-LLVKDONJSA-N	313.361	1.615	50	20	DDGD	
COCCn1ccc(C(=O)NNC(=O)c2ccccc2Cl)n1	1320701438	GLBKFKAOWPDAOZ-UHFFFAOYSA-N	322.752	1.258	50	20	DDGD	
CNC[C@H](C)CNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	1328842730	VQBQQUMPLJKZKT-MEWQQHAOSA-N	303.244	1.912	50	20	DDGD	
O=C(Cc1c[nH]c2cnccc12)NNC(=O)NC1CCCCC1	1324173183	ANIFSIZARKDUMX-UHFFFAOYSA-N	315.377	1.769	50	20	DDGD	
O=C(NNc1ccncn1)[C@@H]1CCCCN1Cc1ccncc1	1324544975	QNNIUAHSLBSZJY-AWEZNQCLSA-N	312.377	1.369	50	20	DDGD	
CC(=NNC(=O)CCN1CCCCCC1)c1ccnc(C)n1	1320737927	OEOZBRYVNLZNOP-UHFFFAOYSA-N	303.410	1.891	50	20	DDGD	
CCC[C@@H](CCc1ccccc1)NC(=O)NNC(=O)C(=O)OC	1252447104	FPABXJAFRRFWNX-ZDUSSCGKSA-N	321.377	1.291	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)C2CCOCC2)cc1	1333595151	GMBZADUTRSGAQX-UHFFFAOYSA-N	305.378	1.295	50	20	DDGD	
COc1cc(C=NNC(=O)C2CCOCC2)c2c(c1)C[C@H](C)O2	1333664804	MYONCFXNWXUUTB-NSHDSACASA-N	318.373	1.895	50	20	DDGD	
O=C(NCc1cc(OCC(F)F)ccn1)NNc1ncccn1	1337416471	XAUSUJWMXFULLM-UHFFFAOYSA-N	324.291	1.342	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)NC2CCCCC2)C[C@@H]1Br	1334673943	UJXSSGJSBGOXKI-GWCFXTLKSA-N	317.227	1.725	50	20	DDGD	
C[C@H]1CC[C@@H](CC(=O)NNC(=O)c2n[nH]c3c2CCCC3)C1	1332493668	QUSUOJGREWBEHV-WDEREUQCSA-N	304.394	1.876	50	20	DDGD	
Cc1cn(CC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c2ccccc12	1261501112	QACREIPEQQAQGX-JSGCOSHPSA-N	315.373	1.522	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@H](c1ccc(F)cc1)C(C)C	1344641481	KOKNBBSLYVAJCI-NSHDSACASA-N	311.313	1.026	50	20	DDGD	
O=C(NNC(=O)c1c(F)cncc1F)c1n[nH]c2c1CCCC2	1348909713	DTLOYOXUQDQBHM-UHFFFAOYSA-N	321.287	1.037	50	20	DDGD	
O=C(NNC(=O)c1cnn2c1NCCC2)c1ccccc1Cl	1519085319	WNWIAXRACQSEMW-UHFFFAOYSA-N	319.752	1.427	50	20	DDGD	
C[C@]1(COC(=O)[C@H]2CC(=O)N(C3CC3)C2)C[C@H]1Br	1526044779	MVYMRDHAFGLPOR-IYYTYJHQSA-N	316.195	1.714	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2ccc(C(=O)O)c(F)c2)c[nH]1	1600065183	AIELBIAFTYPGAS-UHFFFAOYSA-N	305.265	1.278	50	20	DDGD	
Cc1cccc(C(=O)NN[C@@H](C(=O)O)c2ccc(F)cc2)n1	1607839717	UXSAZSUUOHEGLV-CYBMUJFWSA-N	303.293	1.589	50	20	DDGD	
O=C(C[C@H]1OCc2ccccc21)NNc1ccc(C(=O)O)cn1	1608298337	VQYWXELQCFLLLX-CYBMUJFWSA-N	313.313	1.885	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)C[C@](C)(O)C1CC1	1607140630	VZYARZIFMLUHNM-HNNXBMFYSA-N	308.334	1.388	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H](O)c2ccccn2)cc1F	1608903736	KUGJBOMKRZLRTF-LBPRGKRZSA-N	305.265	1.096	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NN[C@@H](C(=O)O)C2CC2)c1C	1600543016	DOLNPFVPOFCKHI-BXUZGUMPSA-N	306.362	1.555	50	20	DDGD	
COc1ccccc1NCC(=O)NNc1cccc(C(=O)O)c1	1607346371	CFLOAMXQTRKLLF-UHFFFAOYSA-N	315.329	1.949	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@H]2CCc3nc[nH]c3C2)ccc1F	1602286562	LJUBNIWOHXEDTA-QMMMGPOBSA-N	318.308	1.495	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2C[C@@H](C(=O)O)C2)c1F	1606618369	QCYSXLYVLKBLPM-OCAPTIKFSA-N	310.281	1.166	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)[C@@H]1CC[C@H]2CCCCN12	1602471809	QHTKCJBNSQQUQK-RISCZKNCSA-N	303.362	1.845	50	20	DDGD	
C[C@@H](C(=O)O)C(=O)NNc1cc(F)ccc1Br	1609701022	MBWVTPASCKEWAU-RXMQYKEDSA-N	305.103	1.752	50	20	DDGD	
CSc1cc(Br)ccc1C=NNC(=O)C(=O)O	1610383338	ITZVUHOFQSQORJ-UHFFFAOYSA-N	317.164	1.706	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1ccc(F)cc1F	1549317545	WRHITVLIRZDAMZ-WFASDCNBSA-N	323.343	1.668	50	20	DDGD	
Cc1cc(C)c(C(=O)NNc2cccc(F)c2C(=O)O)c(O)n1	1610451166	QXJABXOVCFBBEO-UHFFFAOYSA-N	319.292	1.998	50	20	DDGD	
O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C1CCC(Cl)CC1	1548637866	XLZFOXXUPXYUMX-OVGLSYRBSA-N	322.792	1.935	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C=NNC(=O)[C@H]1CCOC1	1552455417	XLCHIGHPBVEYAI-MBNYWOFBSA-N	306.366	1.026	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H]2NCCc3cc(C#N)ccc32)n1	1579591081	ZUBANOYRWWXMIO-HNNXBMFYSA-N	322.372	1.295	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@H]1CCCC[C@@H]1N	1579309490	FHAPDBOZAPEOGP-QWRGUYRKSA-N	322.434	1.530	50	20	DDGD	
CC(C)C[C@H](N)C(=O)NNC(=O)c1cc(-c2ccccc2)on1	1573504616	RZFJBCYJQDGCBI-LBPRGKRZSA-N	316.361	1.476	50	20	DDGD	
COCC1(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](F)Cl)CC1	1847797950	CGXZCUCJVLRIRW-GARJFASQSA-N	318.776	1.149	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(CC(=O)O)cc1)c1cnccn1	1589424558	WTPNVJFVASSRAB-SNVBAGLBSA-N	300.318	1.351	50	20	DDGD	
N[C@H](Cc1ccccn1)C(=O)NNc1nc(-c2ccccc2)no1	1580409483	LGMMUHIFNPRSLT-CYBMUJFWSA-N	324.344	1.145	50	20	DDGD	
CN(C)C(=O)NN=C1CCCCc2cc(-c3nn[nH]n3)ccc21	1591003982	QPAQPLPDDQMQQB-UHFFFAOYSA-N	313.365	1.568	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@H]1CN(CCC(=O)O)CC(=O)OC(C)(C)C	1594187753	KXRJPEDYEAYMIB-KWBADKCTSA-N	305.802	1.978	50	20	DDGD	
CCn1nc(C)c(CNC(=O)NNc2cccc(C(=O)O)c2)n1	1597938396	REZFTYQQHYTAGI-UHFFFAOYSA-N	318.337	1.131	50	20	DDGD	
O=C(O)C1(C(=O)NNc2ccc(F)cc2Cl)CCOCC1	1594867815	SWFCRPWPACHAMA-UHFFFAOYSA-N	316.716	1.804	50	20	DDGD	
N#Cc1ccc(C(=O)O)c(C=NNC(=O)c2ccc(O)cc2)c1	1776012730	MGESRJFLMUOZRL-UHFFFAOYSA-N	309.281	1.726	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=Cc2ccn(CCF)n2)c1	1776096374	XZBBQNAXZXPRAL-UHFFFAOYSA-N	304.281	1.315	50	20	DDGD	
COC(=O)NN=Cc1sc(Br)cc1C(=O)O	1776011790	OQYGFNPMURTRIO-UHFFFAOYSA-N	307.125	1.899	50	20	DDGD	
CC(CC1(O)CCOCC1)=NNC(=O)c1ccc(C(=O)O)cc1	1776101493	KQGIPOATOXRSFK-UHFFFAOYSA-N	320.345	1.422	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)c2ccncc2)cccc1[N+](=O)[O-]	158083802	VULJOYKZUDHFEE-UHFFFAOYSA-N	314.301	1.302	50	20	DDGD	
CCCN(C)c1ccc(C(=O)NNC(=O)c2cc(C)n[nH]2)cc1	151198386	NVPPDDZRUHIGQY-UHFFFAOYSA-N	315.377	1.639	50	20	DDGD	
O=C(NNc1ccccc1F)C(=O)Nc1ccc2[nH]ncc2c1	155602333	XDXMLPJKLLVHBA-UHFFFAOYSA-N	313.292	1.784	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)s1	154692150	ZXKXJLWSPPWNNW-JLLWLGSASA-N	323.418	1.814	50	20	DDGD	
C[C@H](NS(=O)(=O)c1ccc(CCl)cc1)c1nncn1C	379946631	DCXHXWGKORECSO-VIFPVBQESA-N	314.798	1.593	50	20	DDGD	
CSSCCNC(=O)NCCNC(=O)OC(C)(C)C	495800876	AXSFJMAIGHKMAW-UHFFFAOYSA-N	309.457	1.822	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Cc1c[nH]c2ccccc12	103424948	WSJOEZYRKFROBF-UHFFFAOYSA-N	308.341	1.496	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)CC(C)(C)C)cc1C	103060503	CUWDKOPJPFDZFQ-UHFFFAOYSA-N	314.407	1.749	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1ccccc1[N+](=O)[O-]	103179138	WIGOYDBNZUFKTQ-UHFFFAOYSA-N	308.338	1.861	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cn(C)nc2C)cc1	113036354	BZGDEPATMGKGQI-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
C[C@H]1[C@@H](C)SCCN1C(=O)NNC(=O)c1cccc(C#N)c1	118480304	NGSAOSMTMOKYFB-WDEREUQCSA-N	318.402	1.738	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cc2c(F)cccc2[nH]1	103456801	AIKQCFAHPOCOLU-UHFFFAOYSA-N	312.304	1.706	50	20	DDGD	
COc1ccccc1/C(C)=C/C(=O)NNc1ncnc2nc[nH]c12	173932997	ICOKCSYEPCQKDR-JXMROGBWSA-N	324.344	1.908	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NNc1cccnn1	172497417	XCZDSLYTICFEJE-UHFFFAOYSA-N	314.349	1.157	50	20	DDGD	
CO[C@H](CNC(=O)NNc1ccc(C)nn1)c1ccccc1	106265459	LVFLCCMDVGBIAJ-CYBMUJFWSA-N	301.350	1.799	50	20	DDGD	
CCN(C)Cc1cccc(CNC(=O)NNc2ncccn2)c1	64229504	YSZBXJYBIQPEKO-UHFFFAOYSA-N	314.393	1.755	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CSc1nccn1C	177914059	WHHPSBZGZNYLJB-UHFFFAOYSA-N	318.402	1.211	50	20	DDGD	
CC(C)Cc1nc(C(=O)NNC(=O)c2ccccn2)cs1	63635912	RALYZZFALGRJLL-UHFFFAOYSA-N	304.375	1.811	50	20	DDGD	
O=C(NCCn1cccn1)NNc1ccc(OC(F)F)cc1	114971393	RWOQBJNESBGKFO-UHFFFAOYSA-N	311.292	1.811	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)NCCCCN)cc1	1261376864	ACEQQJWAACNMMF-UHFFFAOYSA-N	310.423	1.156	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2nc3ccccc3n2C)nn1	171592653	NQQFEJKWEXVFIM-UHFFFAOYSA-N	311.349	1.498	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C	64884021	UCBDYIQGKAZVEX-VIFPVBQESA-N	302.375	1.030	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1nn(-c2ccc(F)cc2)cc1O	176274651	TZEMTGSPQMPRJV-UHFFFAOYSA-N	320.324	1.524	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)c1cccnc1	27634876	ATQWDPRHIJMKCZ-UHFFFAOYSA-N	323.356	1.455	50	20	DDGD	
Cc1nn(C)cc1CCC(=O)NNc1ccccc1[N+](=O)[O-]	115315508	LBJPOEPBCIQHTN-UHFFFAOYSA-N	303.322	1.713	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@@H]1C[C@@H]1c1c(F)cccc1F	116562458	SMGIDALNDFPTSP-QPUJVOFHSA-N	320.299	1.793	50	20	DDGD	
C[C@H](OC[C@H]1CCCCO1)C(=O)NNC(=O)OC(C)(C)C	66306925	ULVASBYMXFCJAR-WDEREUQCSA-N	302.371	1.517	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2ccc(C#N)cc2)CC(C)(C)O1	170880837	FXRQJMAZAYTRTH-NSHDSACASA-N	316.361	1.412	50	20	DDGD	
CCNC(=O)NNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1C	65190756	UOZJJMXGECZPHT-UHFFFAOYSA-N	319.340	1.592	50	20	DDGD	
CCCN1CCC[C@@H]1C(=O)NNC(=O)c1ccc(C#N)cc1	126149401	RNPCCRCUYSMXGN-CQSZACIVSA-N	300.362	1.194	50	20	DDGD	
COc1ccc(CNC(=O)NNc2ncccn2)cc1Cl	125128445	IZFQGBGYDKQDAG-UHFFFAOYSA-N	307.741	1.965	50	20	DDGD	
C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NN(C)C(N)=O	188678727	XUWIGYNMLLWZPE-SSDOTTSWSA-N	305.256	1.514	50	20	DDGD	
Cc1ccccc1[C@H](CC(=O)NNc1ccccn1)NC(N)=O	181184107	KYEFNAGCFOSZMU-ZDUSSCGKSA-N	313.361	1.633	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CO)c1ccc(-c2ccccc2)cc1	182770735	KKTGQOASOVFIPW-UHFFFAOYSA-N	312.369	1.771	50	20	DDGD	
CSCC[C@H](NC(N)=O)C(=O)NNc1cc(C)cc(C)c1	126639279	KOIVBPNRUFUHBG-LBPRGKRZSA-N	310.423	1.537	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1ccc2ncsc2c1	181406628	CTPZZFGTMYWGML-UHFFFAOYSA-N	313.342	1.773	50	20	DDGD	
O=C(CCc1ccc2[nH]ccc2c1)NNC(=O)Cc1ccncc1	181186015	XHYUHSKHZSQWPF-UHFFFAOYSA-N	322.368	1.886	50	20	DDGD	
Cc1coc2ccc(NC(=O)NNC(=O)c3cnn(C)c3)cc12	187963806	IOQAIWBEIRZABH-UHFFFAOYSA-N	313.317	1.941	50	20	DDGD	
Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NN(C)C(N)=O	181080920	PYWQROQJDCXAED-CYBMUJFWSA-N	320.393	1.181	50	20	DDGD	
COC(=O)NNC(=O)c1cc2sc(N(C)C)nc2s1	185420116	BYWSNMUZNJNISC-UHFFFAOYSA-N	300.365	1.425	50	20	DDGD	
Cn1nnnc1SCCC(=O)NNc1ccc(Cl)cc1	120189965	NGPFVAHYPLUZFR-UHFFFAOYSA-N	312.786	1.489	50	20	DDGD	
COc1cc(/C=C(/C#N)C(=O)NC2CC2)c([N+](=O)[O-])cc1OC	211563382	WAPURFFYHPRJJQ-YHYXMXQVSA-N	317.301	1.798	50	20	DDGD	
CC(C)(C)OC(=O)N(CC(=O)NNc1ccccn1)C1CC1	181182479	RIOPQUKNXRTXMN-UHFFFAOYSA-N	306.366	1.924	50	20	DDGD	
CSc1cc(C(=O)NNC(=O)Cc2cc[nH]n2)ccc1F	186158698	WWGRUCBKLAYFOD-UHFFFAOYSA-N	308.338	1.274	50	20	DDGD	
CC[C@@H](O)[C@@H]1CCCCN1CC(=O)NNC(=O)c1ccccc1	182328546	PXLRYACLAIDUOD-LSDHHAIUSA-N	319.405	1.073	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCC(C)(C)N(C)C	72812225	MOERSAHJTCCJBG-UHFFFAOYSA-N	300.834	1.809	50	20	DDGD	
O=C(NNC(=O)c1csc2c1CCCC2)C(=O)N1CCCC1	132248122	XPAPPVLXIZPUDD-UHFFFAOYSA-N	321.402	1.010	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)CSCC#N)c1	41759278	JWWLEAQCIKBZLC-UHFFFAOYSA-N	307.375	1.086	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc3c(c2)CCC(=O)N3)o1	84284512	DRNSGFLUCUVWHP-UHFFFAOYSA-N	313.313	1.548	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccnn2C(C)(C)C)n1	190518962	GZLABTJJJDSZOO-UHFFFAOYSA-N	305.342	1.585	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)NCCCCO)c1C	194951964	CVNOPAHRJFJNRZ-LFIBNONCSA-N	319.405	1.547	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1nccc2ccccc12	82977703	FBBYKCXLBMDDMM-UHFFFAOYSA-N	306.325	1.634	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C[C@H]1CCCOC1	195166363	VSKLAERMQNBHQY-CYBMUJFWSA-N	320.389	1.592	50	20	DDGD	
Cn1/c(=N\NC(=O)[C@H]2CCCCC(=O)N2)sc2ccccc21	193758608	JJNABINUINWRLF-FGDDNGJNSA-N	318.402	1.231	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N[C@H]2CCCc3cn[nH]c32)cc1	268950143	XISJSAOMSSFNIR-ZDUSSCGKSA-N	324.344	1.303	50	20	DDGD	
N#Cc1cccc(OCCCCC(=O)NNC(=O)NC2CC2)c1	264724360	YEBBOLBVOLQCFC-UHFFFAOYSA-N	316.361	1.600	50	20	DDGD	
CCC[C@](C)(N)C(=O)NNc1nc2ccccc2c(=O)n1CC	269212500	RMIORRILSOKYPS-INIZCTEOSA-N	317.393	1.377	50	20	DDGD	
COCCC1(C(=O)NNC(=O)CNc2ccccc2OC)CC1	269679448	LTDKFHLKLQKDLI-UHFFFAOYSA-N	321.377	1.071	50	20	DDGD	
CC(C)(Oc1ccc(C#N)cc1)C(=O)NNC(=O)C1CCC1	268850763	XWAMZKOIVHUWMQ-UHFFFAOYSA-N	301.346	1.663	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Cc1cc(F)cc2c1OCOC2	264056408	UZTFEOYRYGLCAQ-UHFFFAOYSA-N	324.352	1.818	50	20	DDGD	
CSSCCNC(=O)N[C@@H]1CCN(c2ccccn2)C1	367415172	KVVMJCQUJZJFSU-LLVKDONJSA-N	312.464	1.971	50	20	DDGD	
CN([C@H](C(=O)O)c1ccccc1)S(=O)(=O)CBr	275350689	SWNLSWWCKMHYJC-VIFPVBQESA-N	322.180	1.426	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NCCC(C)(C)O	274944018	NDNNWTLEQPLBLT-UHFFFAOYSA-N	323.393	1.119	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN[C@@H](CC)C(=O)OC	279914042	VVGCZOFJKVQPCL-NSHDSACASA-N	310.350	1.037	50	20	DDGD	
CCc1csc(CC(=O)NNc2cc(Cl)nc(N)n2)n1	283773795	MLKLPBNGDDJJPW-UHFFFAOYSA-N	312.786	1.417	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2cccc(C(F)(F)F)c2)CC1	281763235	YYMSFOFNYPITIN-UHFFFAOYSA-N	322.308	1.726	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc(OC)c(OC)c2C)n1	285886924	DQIUVBULBWXOQT-UHFFFAOYSA-N	318.333	1.568	50	20	DDGD	
Cn1ncc2c1C[C@@H](C(=O)NNc1cnc3ccccc3n1)CC2	282301830	LGDICQTWHRJOFQ-NSHDSACASA-N	322.372	1.612	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)C2(C)COC2)c1	283631046	IDLMCEDEDXTXCM-UHFFFAOYSA-N	313.741	1.538	50	20	DDGD	
CC[C@H](C(=O)NNc1ccc([N+](=O)[O-])cc1C)N1CCCC1=O	288742507	PTDCMKISUQFNLT-CYBMUJFWSA-N	320.349	1.747	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)N[C@H](C)CF	289061058	FABBZIOPFRCHMY-SSDOTTSWSA-N	303.721	1.651	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	280941654	IVYZRYYCUGRYKL-ZUZCIYMTSA-N	312.341	1.556	50	20	DDGD	
CC[C@H](C)[C@H](CNC(=O)NNc1ccc(Cl)nn1)OC	297932764	VSYOUYKIFCAUQP-IUCAKERBSA-N	301.778	1.817	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@@H](O)Cc1ccccc1	803438010	ZBZMCBSLLJMEDY-INIZCTEOSA-N	323.352	1.575	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)C(=O)NC(CC)CC)[C@@H]1SC	807971959	JOUOCHAXURCBPU-NEPJUHHUSA-N	315.439	1.304	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2ncc(F)cc2F)CN1C1CC1	298133446	ZZDWURUUTVUVAA-WPRPVWTQSA-N	311.336	1.611	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C=C2CCCC2)cc1	801109139	WDCRPNPNOLXYGY-UHFFFAOYSA-N	301.346	1.581	50	20	DDGD	
COC(=O)c1cc(C(=O)NN(C)C(=O)OC(C)(C)C)ccn1	297557937	GGAPJXGJNLUELI-UHFFFAOYSA-N	309.322	1.380	50	20	DDGD	
CC[S@@](=O)c1ccccc1C(=O)NNC(=O)[C@@H]1CCCCO1	295631423	SNWVOGMJSXXYPF-AMXDTQDGSA-N	324.402	1.144	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)c2ccccc2)[C@H]1[C@@H]1CCCO1	290944722	CCXUWPRWYKXITH-KBPBESRZSA-N	317.389	1.930	50	20	DDGD	
COCc1ncc(C(=O)NNc2cc(C#N)cc(Cl)n2)s1	802970748	IWIDBIMTKYFCGY-UHFFFAOYSA-N	323.765	1.966	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)NCCc2cccs2)C1	805171279	MIEXGUFVCVYLCN-UHFFFAOYSA-N	311.407	1.436	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)[C@@H]1OC[C@@H]2COCC[C@@H]21	290376297	QLFJHTIYRJUVJM-DXVIDONBSA-N	316.279	1.599	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NNc2ncncc2F)C1	293996366	LUZDKQUMIGYTDU-SNVBAGLBSA-N	323.372	1.344	50	20	DDGD	
CN(C)Cc1cccc(C(=O)NNC(=O)N=c2cc[nH]cc2)c1	802029109	MHICHEHBOFMCPJ-UHFFFAOYSA-N	313.361	1.032	50	20	DDGD	
C[C@H](CC(=O)NNc1ncccc1F)NC(=O)OC(C)(C)C	804212796	BPVFDTPLDVBHMI-SECBINFHSA-N	312.345	1.967	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)CSCc2ccncc2)O1	293860146	IFJCDRKNRZOGNZ-JQWIXIFHSA-N	309.391	1.030	50	20	DDGD	
CCCCc1ccc(C(=O)NNC(=O)N2CCN(C)CC2)cc1	807380399	VUVLOVLOPVFFSQ-UHFFFAOYSA-N	318.421	1.631	50	20	DDGD	
Cc1cc(NNC(=O)CCOCC(F)(F)C(F)F)ncn1	806863300	DNJUDPGDWATVIE-UHFFFAOYSA-N	310.251	1.535	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)Cc2cccnc2)n(C)c1C	800813498	YGCFDQGZSBTEDI-UHFFFAOYSA-N	314.345	1.208	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cn(C)nc2C(F)F)n1	812224378	AXRKPAPSMGRVKX-UHFFFAOYSA-N	310.308	1.321	50	20	DDGD	
CC(=NNC(=O)N=c1cc[nH]cc1)c1ccc(C(=O)O)c(F)c1	815001550	OJZGPRJPFLJNRJ-UHFFFAOYSA-N	316.292	1.887	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)c2cc(CO)on2)cc1OC	812222633	QWDARQWZIMXHCJ-UHFFFAOYSA-N	319.317	1.338	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2snnc2C)ccc1C	816688829	IBMSJPUWFFWKPS-UHFFFAOYSA-N	306.347	1.698	50	20	DDGD	
COCCN(C)NC(=O)c1ccccc1OCc1cscn1	816562800	ZGXLFAJNLWUQQS-UHFFFAOYSA-N	321.402	1.945	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1c[nH]c(C(F)(F)F)c1	816830577	MDBXZAXVOFGIKM-UHFFFAOYSA-N	313.235	1.814	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)c1nnc2ccccc2n1	810461274	WMTCXTLQXRNBKO-UHFFFAOYSA-N	300.709	1.830	50	20	DDGD	
CN(NC(=O)C1CCC(NC(=O)C2CCCC2)CC1)C1CC1	819646743	DHWPCJYEIRXTNF-UHFFFAOYSA-N	307.438	1.977	50	20	DDGD	
Cc1nc(Cc2ccccc2)sc1C(=O)NNc1nc[nH]n1	816634470	JNERCVMFDWVCIF-UHFFFAOYSA-N	314.374	1.917	50	20	DDGD	
Cc1cncc(CCC(=O)NNc2nc(-c3ccncc3)no2)c1	815235849	HXFRORDSUMQJJS-UHFFFAOYSA-N	324.344	1.911	50	20	DDGD	
CN(C)CCCCC(=O)NNc1nc(-c2cccnc2)no1	729534536	ZBKYDRFOXNIIKD-UHFFFAOYSA-N	304.354	1.307	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)Cc2cn(C)nc2C)n1	826966943	XHGCJELNXWWHGN-UHFFFAOYSA-N	317.397	1.051	50	20	DDGD	
COC(=O)NNC(=O)c1cccc(CNc2ccnc(C)n2)c1	495408559	SFYTVDHYIZJVDG-UHFFFAOYSA-N	315.333	1.398	50	20	DDGD	
Cc1ccc(C)c(-n2ncc(C(=O)NN(C)[C@@H](C)CO)c2C)c1	823947012	RDKQQZAWUUFGGX-ZDUSSCGKSA-N	316.405	1.755	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H](C)CSc1ccc(F)cc1	823865280	MOLQRKRIJGYJMP-NSHDSACASA-N	300.399	1.899	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(-n2nccc2C)cc1	725908837	WKFVAHWEIKRJFX-UHFFFAOYSA-N	315.402	1.476	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)cc1F	495569327	OJJFKFNLPYUHPH-UHFFFAOYSA-N	316.232	1.394	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)C(F)F)CC1	496373220	GWXRQMABEDINJJ-UHFFFAOYSA-N	321.324	1.046	50	20	DDGD	
CC(C)Cn1cc(C(=O)NN(C)[C@@H](C)CO)c(C(F)F)n1	823918373	WIIDLVRAISBAQI-VIFPVBQESA-N	304.341	1.434	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N(C)[C@H](C)c1ccccc1	827314628	HQWGXRYMXOARTG-MBNYWOFBSA-N	305.378	1.845	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@@H](c2ccccc2)[C@@H]1C	828020457	JNLFWWYPSFVKOJ-DZGCQCFKSA-N	303.406	1.668	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCC1	496587975	PKFAAVJQBNLPDZ-LLVKDONJSA-N	313.398	1.483	50	20	DDGD	
CC/C(C)=C/C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12	822201615	OMIKSTBIRSWULP-MDZDMXLPSA-N	314.345	1.051	50	20	DDGD	
O=C(CC1(O)CCC1)NNC(=O)C12CC3CC(CC(C3)C1)C2	822197142	MGGAWYPWYZQCKC-UHFFFAOYSA-N	306.406	1.655	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC[C@@H]1c1cccc(F)c1	827290717	YKKCXVSWOGKDRF-ZLKJLUDKSA-N	321.352	1.738	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(OCc2ccncc2)cc1	497000979	VMASMINUDWREEO-UHFFFAOYSA-N	301.302	1.661	50	20	DDGD	
CC(C)CN1CC[C@@H](CNC(=O)/C(C#N)=C/c2cnn(C)c2)C1	491101815	GEFBTIASRDCDDI-FCDDLGMRSA-N	315.421	1.421	50	20	DDGD	
CCCc1nc(C)c(CNCc2ccc(B(O)O)cc2F)o1	585042547	FBNKYHZXXKDAIZ-UHFFFAOYSA-N	306.146	1.044	50	20	DDGD	
CCc1nnc(C(=O)NNC(=O)CCCc2ccccc2)s1	900543263	NVVGJIDELSIHMW-UHFFFAOYSA-N	318.402	1.884	50	20	DDGD	
COC(=O)CCC(C)(C)NC(=O)/C(C#N)=C\c1cnn(C)c1	491012282	QTZIFUCEQQAQMH-GHXNOFRVSA-N	304.350	1.175	50	20	DDGD	
N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccccc1B(O)O	585048776	VXJCSESVQPHHSY-GOSISDBHSA-N	306.174	1.405	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)c1ccccc1C)C(F)(F)F	733336496	UVDHVYGSHSORSY-JTQLQIEISA-N	319.283	1.516	50	20	DDGD	
CCCNC(=S)NNC(=O)NCc1ccc(Cl)cc1	732928919	KBICKIOKYXMUOW-UHFFFAOYSA-N	300.815	1.928	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(CCOC)Cc1c(C)nn(C)c1C	491086852	VJXWLLVDBZZXEQ-KAMYIIQDSA-N	320.393	1.456	50	20	DDGD	
COCC[C@@H](NCc1cccc(B(O)O)c1)c1ccc(C)o1	585033497	HCZLWBSIRJFXSA-OAHLLOKOSA-N	303.167	1.135	50	20	DDGD	
CC[C@@H](C(=O)NN=C1CCN(C(N)=O)CC1)c1ccccc1	731931546	KHFAGBSYJZKDFE-CQSZACIVSA-N	302.378	1.827	50	20	DDGD	
N#Cc1c(F)cccc1-n1ccc(NC(=O)NNC(=O)O)n1	833760877	HKRBRVLKCYLFAZ-UHFFFAOYSA-N	304.241	1.187	50	20	DDGD	
Cc1nn(-c2ccc(Cl)cc2)cc1CN1CC[C@@H](B(O)O)C1	585077502	VEAMNEBBSMCYHS-CYBMUJFWSA-N	319.601	1.883	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)N=c2cc[nH]cc2)CCCC1	836360881	DPXXVBKAPHJLGI-UHFFFAOYSA-N	305.382	1.810	50	20	DDGD	
C[C@@H](COc1cccc(F)c1)NCc1ccc(B(O)O)cc1	585018938	XBJAPOKKSXQNIN-LBPRGKRZSA-N	303.142	1.063	50	20	DDGD	
Cc1cnn(C)c1C(=O)NNC(=O)C(C)(C)c1ccccc1	839671265	KWOWLLRUHXLCJO-UHFFFAOYSA-N	300.362	1.467	50	20	DDGD	
COc1ccc2cc(C(=O)NNC(=O)[C@H]3CCCCO3)[nH]c2c1	833257202	UBVFCMDYHYGMMD-CQSZACIVSA-N	317.345	1.507	50	20	DDGD	
O=C(O)NNS(=O)(=O)/C=C\c1ccc(Br)cc1	738662339	SPEHXRYPNVTPHO-WAYWQWQTSA-N	321.152	1.522	50	20	DDGD	
Cc1nc(-c2c[nH]c(C(=O)N3CC[C@H](B(O)O)C3)c2)cs1	585069608	NTEAJZZWJPYHOX-JTQLQIEISA-N	305.168	1.136	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H](CC(C)C)C(N)=O)c1ccccc1	839674507	DALZRGWNYKDNDI-KBPBESRZSA-N	319.405	1.475	50	20	DDGD	
Cc1ccc(OCC(=O)NN=C2CCNC(=O)CC2)cc1C	834922368	FFEYIARVCUSCCO-UHFFFAOYSA-N	303.362	1.455	50	20	DDGD	
O=C(NN=Cc1ccc(Br)nc1)[C@H]1CCCCO1	834985382	HWIMERDTKORLLC-SNVBAGLBSA-N	312.167	1.863	50	20	DDGD	
CS[C@H]1CCC[C@@H](NC(=O)NNC(=O)N=c2cc[nH]cc2)C1	838483613	SZTYPMFMNSBSRK-NEPJUHHUSA-N	323.422	1.513	50	20	DDGD	
CC[C@@H]1CCCC(=NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1	734980655	VHXVXOCFFBLYIX-PWSUYJOCSA-N	301.412	1.429	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H](CC(C)C)NC(=O)O	738115667	NEPGOVKQQFGJPD-NSHDSACASA-N	323.349	1.139	50	20	DDGD	
Cc1cc(C)c(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(C)n1	831823439	YZINUAAZAMZWGI-NWDGAFQWSA-N	306.366	1.585	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@H]1C[C@@H](OC(C)C)C1	838746835	DOMQLPGWVXPEGL-GASCZTMLSA-N	319.405	1.824	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@H](C1CC1)[C@H](CO)C1CC1	832232716	RIZJOQFRNCMRFH-CHWSQXEVSA-N	309.859	1.722	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CC2CCOCC2)cc1F	837050394	JEKGWHBVILDVKL-UHFFFAOYSA-N	310.325	1.872	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)N[C@H](C)C1CC1	915928192	VAXGERAWIGLEGG-LLVKDONJSA-N	305.378	1.757	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)Cc2nc[nH]n2)C1	912583591	YOBZNPPDCJJKCI-LLVKDONJSA-N	310.474	1.970	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)[C@H](O)c1ccccc1	746241443	KEXCVCXGHMOSCL-GFCCVEGCSA-N	311.301	1.308	50	20	DDGD	
CCc1ccc(-c2cc(C(=O)NN(C)C[C@H](C)O)no2)cc1	910182774	JWGCTSFCEQVMAP-NSHDSACASA-N	303.362	1.861	50	20	DDGD	
Cc1c(NNC(=O)[C@H](C)Cc2cnn(C)c2)cccc1[N+](=O)[O-]	837490577	VFUGKDGKWZJQPQ-SNVBAGLBSA-N	317.349	1.959	50	20	DDGD	
O=C(NNc1cccc(Br)n1)[C@@H]1CCCCO1	837211745	JMKJQPJLZSZLNC-QMMMGPOBSA-N	300.156	1.856	50	20	DDGD	
COc1ccc(OCC(=O)NN=C2CCN(C)[C@@H](C)C2)cc1	741455590	DADKQOZVOFFXQE-LBPRGKRZSA-N	305.378	1.660	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(F)c(F)cc1Br	910159922	CPECPFSGBUFKMF-LURJTMIESA-N	323.137	1.685	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)Cc1ccc2c(c1)OCO2	918689727	ABIZAASAMHRMKY-UHFFFAOYSA-N	309.391	1.252	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)N[C@@H]1CCCN2CCCC[C@H]12	847444579	IQYYDDJEQXJCNL-CHWSQXEVSA-N	310.442	1.770	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)NCC1CC1)N1CCc2ccccc21	847391448	ZIVBAAQDFPMIGC-LBPRGKRZSA-N	316.405	1.568	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=S)NC[C@H]1CCOC1	749703503	CHDLHXRHTIMELM-CQSZACIVSA-N	321.446	1.541	50	20	DDGD	
CCc1cccc(C=NNC(=O)[C@H](C)CN2CCOCC2)c1O	848401932	NYRDENUXHHQMCP-CYBMUJFWSA-N	319.405	1.373	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C(=O)c2ccc(C)cc2)n1	746623003	IBQKQOFZBQODHL-UHFFFAOYSA-N	300.318	1.428	50	20	DDGD	
Cc1nc([C@@H]2CCN(C(=O)[C@]3(C)C[C@H]3Br)C2)n[nH]1	910465524	VTBRWZKTLUONNZ-KBVBSXBZSA-N	313.199	1.603	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=CC1CCOCC1	841643571	LZPTWCMNQFWPCQ-ZDUSSCGKSA-N	323.393	1.432	50	20	DDGD	
C[C@@H](CO)C1CCN(C(=O)/C(C#N)=C\c2cnn(C)c2)CC1	846471568	PZHUGBYXDWGSBS-CUTJPZLCSA-N	302.378	1.194	50	20	DDGD	
N[C@H]1CCc2ncc(NC(=O)NNc3cccc(F)n3)cc2C1	841323353	XMNHMLWYZGSRGU-JTQLQIEISA-N	316.340	1.580	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)CN(C)CC(=O)NC(C)C)c1	748419500	VETRRYPBCALAQL-UHFFFAOYSA-N	306.410	1.203	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(OC(F)F)cc1	843648701	RBVZFXUIBKGEER-KWQFWETISA-N	314.288	1.474	50	20	DDGD	
O=C(CCNC1CC1)NNc1nc(-c2ccc(Cl)cc2)no1	848399991	AASVJRPEZBDGOV-UHFFFAOYSA-N	321.768	1.975	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)/C=C\SCc1ccco1	843654855	SVTHOHMERUTKSH-LADFOUISSA-N	310.375	1.599	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1	910180529	LIURFIRJGOGKLT-WFASDCNBSA-N	308.378	1.202	50	20	DDGD	
Cc1ccc2nnc(CNC(=O)[C@]3(C)C[C@H]3Br)n2c1	911073408	WIYKUKYJPZTYRE-NOZJJQNGSA-N	323.194	1.827	50	20	DDGD	
CCCCO[C@H]1CC(=NNC(=O)CN2CCCC2=O)C1(C)C	747629806	JESIVWRBSNWJOE-ZDUSSCGKSA-N	309.410	1.696	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cccc([N+](=O)[O-])c2N)n1	749414431	UOEHAKGLJFVATI-UHFFFAOYSA-N	318.293	1.041	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC2CCCC2)n2nc(C)cc2n1	744053237	KVQUXDFUNUQNBL-UHFFFAOYSA-N	316.365	1.233	50	20	DDGD	
Cc1nc(C(C)C)nc(O)c1C(=O)NNC(=O)NC1CCCC1	747369681	JHKMKOUPDQYTEW-UHFFFAOYSA-N	321.381	1.501	50	20	DDGD	
CCNCCNC(=O)NNc1ccc(Br)c(F)c1	841936945	YDLCVICFYGUQCC-UHFFFAOYSA-N	319.178	1.824	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)[C@@H]1CCc2ncncc2C1	844138827	YOWKPEGRWHKVAP-SNVBAGLBSA-N	308.345	1.601	50	20	DDGD	
Cc1nc(SCC(=O)NNc2ccc(F)c(F)c2F)n[nH]1	748848651	QNBPLAOXUCFTPP-UHFFFAOYSA-N	317.296	1.766	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCCc2cc(OC)ccc21	748256488	BODXHBCJQMFHSP-GFCCVEGCSA-N	320.389	1.903	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1	920340188	JUQUODMBNACNBO-GFCCVEGCSA-N	311.426	1.465	50	20	DDGD	
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NNc1ccccn1	755277888	SYUGRLGQMFLOQB-JTQLQIEISA-N	309.370	1.621	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1Cc2ccccc2C(C)(C)C1	759308954	PJYLYSRFDGVZRV-GFCCVEGCSA-N	303.406	1.726	50	20	DDGD	
C[C@@H]1COC[C@H]1NC(=O)NNC(=O)c1cccc2ncccc12	926002877	DNXYWFFRIKCMOU-QMTHXVAHSA-N	314.345	1.214	50	20	DDGD	
C[C@H](C(=O)NN=c1sc2ccccc2n1C)[C@@H]1CCC(=O)N1	858279761	RGZVSVXABJETPE-UWVGGRQHSA-N	318.402	1.086	50	20	DDGD	
CC(C)C(=O)N[C@@H](CO)C(=O)NNc1cc(F)cc(Cl)c1	855620154	MRWBQRJGFHABLF-NSHDSACASA-N	317.748	1.055	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=Cc1ccc([N+](=O)[O-])o1	853410478	OPZLWZCORFZCSO-UHFFFAOYSA-N	324.337	1.580	50	20	DDGD	
CN(C)c1ccnc(CNC(=O)[C@]2(C)C[C@H]2Br)c1	927696515	ABJZMOOCPAUGBQ-DGCLKSJQSA-N	312.211	1.937	50	20	DDGD	
CO[C@@H]1CCN(C(=O)NNC(=O)c2cccc(F)n2)[C@H](C)C1	852709834	FWBHSPIODUOJBL-NXEZZACHSA-N	310.329	1.074	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H](NC(=O)NNc2ccc(F)cc2Cl)C1	922792646	WENUVLRGHPXIOD-APPZFPTMSA-N	314.748	1.759	50	20	DDGD	
O=C(CCSc1ccccn1)NNC(=O)CC(F)(F)F	755641065	VPMHHPIQFUFPFO-UHFFFAOYSA-N	307.297	1.664	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2CC(=O)N(C(C)C)C2)cc1F	853770084	CKCCAIQBYWZUQC-LBPRGKRZSA-N	308.357	1.770	50	20	DDGD	
Cc1cc(C)cc(CNC(=O)NNC(=O)[C@@H]2CCCCO2)c1	852536179	BESMLROILGSGPS-AWEZNQCLSA-N	305.378	1.703	50	20	DDGD	
CCc1cnc(NC(=O)C(=O)NNc2ccc(OC)cc2)s1	756172827	ARCBQWZSOWPZER-UHFFFAOYSA-N	320.374	1.796	50	20	DDGD	
CNC(=S)N(C)NC(=O)C[C@@H]1CSc2ccccc2O1	854928025	UVSMMJAZCVKMCX-SECBINFHSA-N	311.432	1.397	50	20	DDGD	
O=C(NCCO[C@H]1CCOC1)NNc1cccc(F)c1F	927520706	ZKUYLQIMNUQTOH-VIFPVBQESA-N	301.293	1.396	50	20	DDGD	
CCN(CCOCCO)C(=O)NC[C@]1(C)C[C@H]1Br	856959893	ZGAGDAKYICOHLQ-PWSUYJOCSA-N	323.231	1.200	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NNC(=O)C1CCOCC1	923061329	HDOQOEIKGVXXCS-SECBINFHSA-N	321.215	1.370	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1nc2cc(Cl)ccc2n1C	755611405	MFFWPAXHOKFAQN-UHFFFAOYSA-N	321.768	1.201	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CN(C)C(=O)C2CC2)c1C	855627644	VWFNSCQMKAYRQQ-UHFFFAOYSA-N	319.361	1.093	50	20	DDGD	
Cc1ncc(NC(=O)NNC(=O)c2cccc(N(C)C)c2)cn1	756369597	CGZSECLYJXBRHY-UHFFFAOYSA-N	314.349	1.318	50	20	DDGD	
COc1ccccc1NCC(=O)NN=Cc1nc(C)c(C)[nH]1	853262949	QJUWZPUBBTXHRT-UHFFFAOYSA-N	301.350	1.597	50	20	DDGD	
C[C@@]1(CNC(=O)NCC2CCNCC2)C[C@@H]1Br	857104167	MRNZLDUWONJZBH-JQWIXIFHSA-N	304.232	1.459	50	20	DDGD	
C[C@@]1(CNC(=O)[C@@H](O)Cc2ccccc2)C[C@@H]1Br	857733460	LBXURIXXRLLELP-OBJOEFQTSA-N	312.207	1.880	50	20	DDGD	
CN(C)CCOc1ccc(C=NNC(=O)c2cc[nH]n2)cc1	853392643	PNAXJHACMJSSAN-UHFFFAOYSA-N	301.350	1.114	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(NC(=O)OC(C)(C)C)nc1	858782087	LOSFIAKFZFQGSJ-UHFFFAOYSA-N	323.353	1.393	50	20	DDGD	
C[C@]1(CNC(=O)N2CCOC[C@@H]2C2CC2)C[C@@H]1Br	856952767	GTQNIXXAKKCNNA-NTZNESFSSA-N	317.227	1.980	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCc2ccncn2)c1C	855625540	VNFHVVZJEDBXGX-UHFFFAOYSA-N	314.345	1.648	50	20	DDGD	
COCCOc1ccccc1NC(=O)NNC(=O)CC1CC1	756213239	VLJDDSHNMWQLHO-UHFFFAOYSA-N	307.350	1.665	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@]1(C)C[C@@H]1Br	856831203	CVGBRVQOWSZOLF-CPCISQLKSA-N	306.204	1.536	50	20	DDGD	
COCCN(C)NC(=O)c1cccc([C@@H]2CCCN(C)C2)c1	857253682	RBDZZINDZJJCGZ-MRXNPFEDSA-N	305.422	1.719	50	20	DDGD	
CC1(C)OCC(C)(C(=O)NNc2ncc(Cl)cn2)CO1	857357315	OIGDJMWFXKNGPX-UHFFFAOYSA-N	300.746	1.362	50	20	DDGD	
COC[C@H](C)OC(=O)/C(C#N)=C/c1cc2c(cc1OC)OCO2	758814309	CVISAMOGEQNLSP-CDLVRLLZSA-N	319.313	1.909	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1cccnc1O	751371131	INROIKLBHYPPHT-UHFFFAOYSA-N	306.347	1.035	50	20	DDGD	
CN(Cc1nc[nH]n1)C(=O)NC[C@]1(C)C[C@H]1Br	856897201	KVFHXNGLRZVTNY-XCBNKYQSSA-N	302.176	1.120	50	20	DDGD	
O=C(CCc1ccncn1)NNc1cc(C(F)(F)F)ccn1	857514310	ZDJKDSRMBIHGTP-UHFFFAOYSA-N	311.267	1.966	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)COc2ccc(C)cc2)c[nH]1	753163765	YUNSTQFZPAVSBK-UHFFFAOYSA-N	315.329	1.639	50	20	DDGD	
CCCc1c(C(=O)NNC(C)=O)cnn1-c1ccc(C)cc1	760052234	QRNICNYRYDOMRV-UHFFFAOYSA-N	300.362	1.914	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)CSc1ccccc1O	867094616	QEZFVJXSTDXYRP-UHFFFAOYSA-N	312.391	1.447	50	20	DDGD	
COC1CC(C(=O)NNc2ccnc(Br)c2)C1	860908568	ZKAFZYPEVVTYAX-UHFFFAOYSA-N	300.156	1.712	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccc[nH]2)c([N+](=O)[O-])cc1O	767232731	PGPRXZZLCFINBI-UHFFFAOYSA-N	304.262	1.401	50	20	DDGD	
N#C[C@@H](CCc1ccccc1)C(=O)NNC(=O)c1ccccn1	763876058	SNELNDGRNMHRCD-CQSZACIVSA-N	308.341	1.615	50	20	DDGD	
COc1cccc(NCC(=O)NN=C(C)c2ccnn2C)c1	766002879	QYOIKZFGFTVAFK-UHFFFAOYSA-N	301.350	1.381	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cc(C)c(C)c2ncccc12	763441078	QYGRHKVIUZYKJQ-UHFFFAOYSA-N	314.345	1.348	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H](C)CCc1ccc(F)cc1	869068222	OBEVIPYIICQYQG-XUJVJEKNSA-N	322.380	1.967	50	20	DDGD	
Cc1cc(C=NNC(=O)CNC(=O)c2ccco2)c(C)s1	760248255	KHCRZPPGRWUWKG-UHFFFAOYSA-N	305.359	1.838	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCCCS(C)(=O)=O	767311411	FLUSHCUFLPFBSX-MRVPVSSYSA-N	314.245	1.347	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@H]32)n1	863881358	AHJKCERPCQWIML-NWANDNLSSA-N	309.373	1.572	50	20	DDGD	
Cc1ccc(OCC(=O)NN=C2CCS(=O)CC2)cc1C	761801760	OUWIDPMIMPENJV-UHFFFAOYSA-N	308.403	1.697	50	20	DDGD	
Cc1cc(=NNC(=O)Cn2nc(C(F)(F)F)cc2C)cc[nH]1	862514345	YSPBPEYGKMVDKG-UHFFFAOYSA-N	313.283	1.479	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)c2cc(C)[nH]n2)c1	768279028	XUOAXUPFUIGRLF-UHFFFAOYSA-N	303.278	1.010	50	20	DDGD	
CSCc1nc2ccccc2n1CC(=O)NNC(=O)C(C)C	769088104	ZMJOXKANXLTKIZ-UHFFFAOYSA-N	320.418	1.703	50	20	DDGD	
COc1ccccc1SCC(=O)NN=C1CCN(C)C1=O	761828927	WCYNWJMSXVVWPJ-UHFFFAOYSA-N	307.375	1.122	50	20	DDGD	
COc1ccc(OC)c(C(=O)NNc2nccnc2OC)c1	764481331	JAAYTOJKQDKZBY-UHFFFAOYSA-N	304.306	1.259	50	20	DDGD	
CC[C@H]1C[C@H](C)CCC1=NNC(=O)Cc1cc(O)nc(O)n1	769583590	DJEHMMHVAWTIJV-ZJUUUORDSA-N	306.366	1.749	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)cn1	874954785	CUFVRJCXJATUTH-SCVCMEIPSA-N	320.418	1.844	50	20	DDGD	
Cc1ccncc1[C@H](C)NC(=O)NNC(=O)c1cccc(C#N)c1	771441877	RHPGYNOUUQCVDI-LBPRGKRZSA-N	323.356	1.967	50	20	DDGD	
CCONC(=O)NNC(=O)CCSc1ccc(F)cc1	776212228	QYUVYQATZMAREK-UHFFFAOYSA-N	301.343	1.590	50	20	DDGD	
O=C(NNc1ncc(Cl)cc1Cl)[C@H](O)c1cccnc1	775273032	CJMKBUVRVRFXAF-SNVBAGLBSA-N	313.144	1.960	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1ccc(-n2nccn2)nc1	775315959	HYOWCGLNXIFHKP-UHFFFAOYSA-N	323.316	1.129	50	20	DDGD	
C[C@H]1C[C@H](C)CC[C@@H]1NCC(=O)NNC(=O)c1cccs1	775678354	PLERHEDTXBAYEY-WOPDTQHZSA-N	309.435	1.923	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1oc(C)nc1C	773621070	ZEXVFZWOTLNVTE-UHFFFAOYSA-N	307.281	1.974	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)c(C)c1)c1cn(C)cn1	872337817	HRTLKFNQTZKHEZ-UHFFFAOYSA-N	313.361	1.516	50	20	DDGD	
CC(C)[C@H]1CN(C(=O)NNC(=O)c2cccc(C#N)c2)CCO1	778652343	WNAVEOIYDGDOOJ-CQSZACIVSA-N	316.361	1.269	50	20	DDGD	
CC(C)C(=O)NCCNC(=O)NNc1ccc(C(C)(C)C)nn1	1116090096	CPMZRAZNGPBHLP-UHFFFAOYSA-N	322.413	1.172	50	20	DDGD	
CC(C)Oc1ccc(NC(=O)C(=O)NNc2ncccn2)cc1	773716130	FUYCQFZHDWAHMW-UHFFFAOYSA-N	315.333	1.346	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](C(=O)NNc2cc(F)c(F)c(F)c2)C1	1120711222	UYIDJQYDVIIPMG-KNVOCYPGSA-N	302.252	1.746	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccccc1OCCOC	887142022	SOWGCAVZUPCZIJ-UHFFFAOYSA-N	304.346	1.276	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](C)[C@@H]1CCCOC1	779967473	JBPSAMRJEJHKIG-QWHCGFSZSA-N	305.378	1.754	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(OC)c(OC)cc1OC	887139580	VSHOLSCLERLTGI-UHFFFAOYSA-N	320.345	1.277	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC(=O)c2ccccc21)c1ccccc1F	789603283	DQPWCDVTZITOJC-CYBMUJFWSA-N	312.300	1.957	50	20	DDGD	
O=C(CCCc1nn[nH]n1)NNc1c(F)cc(F)cc1F	885153460	JEJKEKXHBGFASO-UHFFFAOYSA-N	300.244	1.083	50	20	DDGD	
NC(=O)c1cc2c(nc1O)CCCC2=NNC(=O)C1CCCC1	788991191	FTZVKUZHCGNYCH-UHFFFAOYSA-N	316.361	1.233	50	20	DDGD	
CCC[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)c1nn[nH]n1	787412551	BKBGGPJMKIDGHT-ZWXCPPHNSA-N	312.333	1.470	50	20	DDGD	
CCCCNC(=O)NN=Cc1ccc(OCC(=O)OC)cc1	782225170	XGUNNZNNPAFOJC-UHFFFAOYSA-N	307.350	1.672	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)C12CCC(CC1)C2	785066433	PBZZPXHUTGHDHE-UHFFFAOYSA-N	312.373	1.984	50	20	DDGD	
COc1cccc(NNC(=O)c2nnn(-c3ccccc3)c2C)n1	780772375	JPYMZSZJBDXXLI-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
COC(=O)c1cncc(C(=O)NNc2ncncc2Cl)c1	781819056	WMIKIQLWGTUXBC-UHFFFAOYSA-N	307.697	1.069	50	20	DDGD	
CC(C)(O)CCNS(=O)(=O)c1ccc(CCCl)cc1	388578828	IVQCNICNKDFJEC-UHFFFAOYSA-N	305.827	1.907	50	20	DDGD	
C[C@@H]1COCCN1Cc1cn(/C=C/CBr)nn1	899212122	PSSHZVVFRONBOE-XCRNYIDWSA-N	301.188	1.364	50	20	DDGD	
CN1CCC[C@@H]1c1cc(C(=O)NNc2ccc(C#N)cc2)n[nH]1	897150394	PQVIZKHXAJZVPR-OAHLLOKOSA-N	310.361	1.805	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ncccc1Br	793024501	ATRJRWXUSJYBCF-UHFFFAOYSA-N	312.167	1.795	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cnc3ccccc3n2)n1	794077146	SPCJABALOYARSY-UHFFFAOYSA-N	307.313	1.408	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1coc(C(C)C)n1	799474944	SDQUEFLNTUMRQY-SNVBAGLBSA-N	313.379	1.073	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NC[C@H]2CCSC2)c1	790508795	AXHLNEIEMVFPPB-LLVKDONJSA-N	304.375	1.255	50	20	DDGD	
CCC[C@]1(NCC(=O)NNC(=O)c2ccc(C)cc2)CCOC1	796441572	OYCWZNZRWDYXBP-KRWDZBQOSA-N	319.405	1.305	50	20	DDGD	
C[C@@H]1CCC[C@@H]1CNC(=O)NNC(=O)COc1ccccc1F	798509768	XAGNJHYHMCENAD-VXGBXAGGSA-N	323.368	1.971	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1ccnc(F)c1F	792280609	WIEJOOZXWDVOGX-UHFFFAOYSA-N	319.193	1.926	50	20	DDGD	
C=CCNC(=S)NNC(=O)C1(c2ccc(F)cc2)CCC1	798304340	JQPGMEFLISJBNQ-UHFFFAOYSA-N	307.394	1.929	50	20	DDGD	
COCC1(C)CCN(C(=O)NNC(=O)c2cccc(C)n2)CC1	793231511	PDWMLNQXTJQCKW-UHFFFAOYSA-N	320.393	1.493	50	20	DDGD	
CC[C@@H]1CCC[C@H]1NCC(=O)NNC(=O)c1ccc(C)cc1	794575369	GFJLRRZLJOHPCU-UKRRQHHQSA-N	303.406	1.924	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2ccc3c(c2)CCO3)n1	794080586	OQTYNWQDDCAOEE-UHFFFAOYSA-N	311.341	1.329	50	20	DDGD	
CCOc1cc(C=NNC(=O)c2ccc(O)c(O)c2)ccc1O	794557866	RICRKRVDXGYLFP-UHFFFAOYSA-N	316.313	1.966	50	20	DDGD	
COC(=O)C(=O)NN=Cc1cc(Br)cc(C)c1O	1324253403	DIWYQSLHUVQFHQ-UHFFFAOYSA-N	315.123	1.086	50	20	DDGD	
Cc1cccc2c(CC(=O)NNC(=S)NC(C)C)c[nH]c12	1323125226	QGJCFRPDWICFTO-UHFFFAOYSA-N	304.419	1.923	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCC(Nc2ccccc2)CC1	1329288471	YROFXWJXPLVNKR-UHFFFAOYSA-N	324.189	1.083	50	20	DDGD	
Cn1ccc(NNC(=O)Cc2ccccc2Br)n1	1256185084	SFPMNFFFNLWTOP-UHFFFAOYSA-N	309.167	1.868	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1c[nH]cc(Cl)c1=O	1256667527	INPADWPKWMETGU-UHFFFAOYSA-N	300.105	1.229	50	20	DDGD	
CC(=O)c1cccc(O[C@H](C)C(=O)NNC(=S)NC(C)C)c1	1251337275	FFBSSFKJUYUCRH-LLVKDONJSA-N	323.418	1.560	50	20	DDGD	
C[C@H](NC(=O)c1cccc(CCl)c1)[C@H]1CN(C)CCN1C	1335824936	NPQBVOMKTDKMCD-SWLSCSKDSA-N	309.841	1.790	50	20	DDGD	
CN(CC(C)(C)C)C(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1334702581	LAJIVJAVQDFEHE-RNCFNFMXSA-N	319.243	1.781	50	20	DDGD	
NC1CCN(CCNC(=O)NNc2ccccc2Cl)CC1	1338686106	CJRZTGJJWMKMNW-UHFFFAOYSA-N	311.817	1.389	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(F)cc1)[C@@H]1CN(C)CCN1C	1263778668	PALOXNQMNCIVJU-FZMZJTMJSA-N	309.389	1.086	50	20	DDGD	
O=C(NC/C=C/C1CC1)NNC(=O)[C@@H]1COc2ccccc2O1	1261284562	ARGRGYOSWCHILN-XGACYXMMSA-N	317.345	1.123	50	20	DDGD	
COc1ccc([C@@H](C)NC(=O)NNc2cccnn2)c(OC)c1	1343390644	XIZPVEWOSWCEFA-SNVBAGLBSA-N	317.349	1.881	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1csc(-c2ccco2)n1	1261497641	GNWCWTXVOPMPDY-DTWKUNHWSA-N	321.358	1.589	50	20	DDGD	
Nc1cnnc(NNC(=O)c2c(F)cc(F)cc2F)c1Cl	1340556021	RFZWVWGPOHOWMS-UHFFFAOYSA-N	317.658	1.886	50	20	DDGD	
C[C@H]1CCc2nc(NC(=O)NNC(=O)c3cn[nH]c3)sc2C1	1351500515	WAKHEPBBHMWDFG-ZETCQYMHSA-N	320.378	1.458	50	20	DDGD	
CC(=NNC(=O)C1CCOCC1)c1ccc2c(c1)OCC(=O)N2	1353089757	KTUPIGPVNQQAFS-UHFFFAOYSA-N	317.345	1.284	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CC=C(C(=O)O)C2)cc1F	1600341101	MUXCWQWHHVKXFL-NSHDSACASA-N	321.308	1.252	50	20	DDGD	
O=C(NCCc1ccc(O)cc1)NNc1cccc(C(=O)O)c1	1601512306	NEEWXEORBDRYRY-UHFFFAOYSA-N	315.329	1.959	50	20	DDGD	
COC[C@H](CNC(=O)NNc1ccc(CC(=O)O)cc1)C(C)C	1606800959	ZUAKECPLLOCESD-ZDUSSCGKSA-N	323.393	1.858	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2csc(C(=O)O)n2)c1	1606618234	OYJUTUHPFPRYKP-UHFFFAOYSA-N	321.314	1.385	50	20	DDGD	
CCN([C@@H](C)C(=O)O)S(=O)(=O)c1ccc(CCl)cc1	1603725135	IAQPUTGWEPIMMC-VIFPVBQESA-N	305.783	1.909	50	20	DDGD	
CCn1cc(NC(=O)NNc2ncccc2C(=O)O)ccc1=O	1604017612	BRAIHQGZQKTCIG-UHFFFAOYSA-N	317.305	1.110	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCc2c(-c3nn[nH]n3)cccc21	1604414697	XDTZVLVDFITROE-KTKRTIGZSA-N	310.317	1.200	50	20	DDGD	
Cc1ncsc1/C=C/C(=O)NNc1ccc(C(=O)O)cn1	1607993891	GJOJIWMDZTUVBP-HWKANZROSA-N	304.331	1.701	50	20	DDGD	
Cc1cc(Br)cc(C=NNC(=O)NCC(=O)O)c1	1600072136	PSRLKHLVYCOHFA-UHFFFAOYSA-N	314.139	1.475	50	20	DDGD	
Cc1nnc(CCC(=O)NNc2cccc(C(=O)O)c2F)o1	1600794175	IOYXZXHXOXSCIB-UHFFFAOYSA-N	308.269	1.291	50	20	DDGD	
O=C(NN=C[C@@H]1CC1(Cl)Cl)[C@@H]1CN2CCC[C@H]2CO1	1549317681	YNUUTBHAENVROP-GUBZILKMSA-N	306.193	1.145	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2ccc(C(=O)O)s2)n1	1610457051	CDUTTXWFFMIJKX-UHFFFAOYSA-N	321.362	1.679	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@H]2CCCC23OCCO3)ccc1F	1610814847	XZMQLGXSHDEIEV-LLVKDONJSA-N	324.308	1.510	50	20	DDGD	
Cc1cc(C)cc(CC=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)c1	1549904961	OKAYSFIYRJNOOX-IRXDYDNUSA-N	315.417	1.811	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)cc1F	1549315748	CLRVTJHHSWUQFP-SWLSCSKDSA-N	321.352	1.148	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccc(OCC(=O)O)cc2)nc1	1574489074	YCDJDONWXQJTNE-UHFFFAOYSA-N	312.285	1.174	50	20	DDGD	
CN(NC(=O)c1sc2c(c1Br)CNC2)C1CC1	1578506602	UNBUCYDJKBGMSL-UHFFFAOYSA-N	316.224	1.853	50	20	DDGD	
C[C@@H]1CCCN(C(=O)NC[C@]2(C)C[C@H]2Br)[C@@H]1CN	1576700591	UNIMHURYBCMRLY-UZWSLXQKSA-N	318.259	1.929	50	20	DDGD	
C[C@@H]1CCN[C@H](C(=O)NNC(=O)Cn2ccc3ccccc32)C1	1576743887	CJTRHRPDYJHUPY-OCCSQVGLSA-N	314.389	1.177	50	20	DDGD	
CC(C)[C@@H](C(=O)O)C(=O)NNC(=O)Cc1ccc(Cl)cc1	1588808221	SNNGVAJELJRHLM-GFCCVEGCSA-N	312.753	1.387	50	20	DDGD	
O=C(NNC(=O)[C@H]1NCCc2occc21)c1ccc(Cl)cc1	1580735806	FGSAWPPVALSSQV-ZDUSSCGKSA-N	319.748	1.581	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)[C@@H]1NCC[C@H]2CCCC[C@@H]21	1580740087	VTWRQHBHXWWGMC-GBIKHYSHSA-N	309.801	1.741	50	20	DDGD	
CC(C)(CC(=O)NNc1ccc(-c2nn[nH]n2)cn1)C1CC1	1589270690	ODWHWJSBPIPCNS-UHFFFAOYSA-N	301.354	1.531	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)[C@@]12CCC[C@@H]1NCC2	1580532461	JBWDWSUCHGKWLT-MAUKXSAKSA-N	315.417	1.689	50	20	DDGD	
O=C(C(Cl)Cl)N1CC2(CCCN2C(=O)C#CC2CC2)C1	1841542806	CMTAVPZWNRCUFW-UHFFFAOYSA-N	315.200	1.407	50	20	DDGD	
CSSCCN1C(=O)NC2(CCC(C(=O)O)CC2)C1=O	1599803869	DRALDPAULQTSFX-UHFFFAOYSA-N	318.420	1.563	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccc(C(=O)O)[nH]1)c1ccccc1	1594735408	ABKMLJWONZGBSR-LLVKDONJSA-N	315.329	1.668	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@](C)(OC)C(=O)O)cc1C	1591176484	QRVCDZUPYBYWJM-OAHLLOKOSA-N	324.333	1.105	50	20	DDGD	
CC[C@H](C)C(=O)NN=Cc1c[nH]c2cccc(-c3nn[nH]n3)c12	1590394084	VZPWCWYOLHGWCG-VIFPVBQESA-N	311.349	1.844	50	20	DDGD	
CCCC[C@@H](NC(N)=O)C(=O)NNc1ccccc1C(=O)O	1595639420	YIQNKGFEJNSACR-LLVKDONJSA-N	308.338	1.055	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NN=C1CC[C@@H](C(=O)O)C1	1593651043	GLXFKZSEFBXZDH-VHSXEESVSA-N	308.309	1.950	50	20	DDGD	
CO[C@@H]1C(=NNC(=O)c2ccc(C(=O)O)cc2)[C@@H]2CCC[C@@H]12	1776101794	YXWJVBANQGJRIW-BZPMIXESSA-N	302.330	1.916	50	20	DDGD	
CS(=O)(=O)Nc1cccc(C(=O)NNc2ccccc2F)c1	152859075	FYNWXTIQDDCOEU-UHFFFAOYSA-N	323.349	1.954	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)CCc2ccc(OC)cc2)co1	153041756	MQGYAPPZCQBAGN-UHFFFAOYSA-N	317.345	1.639	50	20	DDGD	
O=C(NNC(=O)c1cc2c([nH]c1=O)CCCCC2)c1ccc[nH]1	155047046	UTESBCBXUZWFMQ-UHFFFAOYSA-N	314.345	1.047	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)CCCc2ccccc2)CCCO1	155068594	MPXZLSATIVGKNQ-QGZVFWFLSA-N	319.405	1.909	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2nc(C3CC3)cs2)nn1	157146888	ZAIHNDXWHBJHQV-UHFFFAOYSA-N	304.379	1.945	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cccnc2S)n1	155699872	ODGLPMREDUCSNC-UHFFFAOYSA-N	318.406	1.763	50	20	DDGD	
CCN1CCCC[C@@H]1CNC(=O)NNc1ccc(OC)cn1	157248697	FQZFTZVCTVQLII-GFCCVEGCSA-N	307.398	1.591	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)c2c(C)noc2C)c(O)c1	155936910	OBLWWZVAHFFMFD-SECBINFHSA-N	317.345	1.870	50	20	DDGD	
C[C@@H]1C[C@H](CC(=O)NNc2ccc(C(N)=O)nn2)CC(C)(C)C1	154417670	CLTAYJFDOYCVLN-GHMZBOCLSA-N	319.409	1.871	50	20	DDGD	
C[C@@H](NNC(=O)CNC(=O)OCc1ccccc1)C(F)(F)F	862309000	KNTBFXKPNUZOFG-SECBINFHSA-N	319.283	1.484	50	20	DDGD	
O=C(CNS(=O)(=O)CBr)OCc1ccccc1	782398224	IKNDLKCUDPKDCN-UHFFFAOYSA-N	322.180	1.002	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC(c2ccccc2)CC1	109828200	VCFZPBQCMCYEDW-ZDUSSCGKSA-N	303.406	1.812	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cccc(Br)c1	109858204	FLEGQVVFCLRMGO-UHFFFAOYSA-N	323.150	1.555	50	20	DDGD	
CSCc1ccc(C(=O)NNC(=O)Cc2cccnc2)cc1	103425162	VTBUXPQTQSENMM-UHFFFAOYSA-N	315.398	1.948	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCc1cscn1	119908261	WLAOBTBYQJUQGO-UHFFFAOYSA-N	320.374	1.338	50	20	DDGD	
CC(C)CCC(=O)NNS(=O)(=O)c1cc(F)c(F)cc1F	105592044	PHMMSRRZODPUQI-UHFFFAOYSA-N	324.324	1.850	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)CNC(=O)NCc1ccco1	118983864	NJHHRVNKNBCEAI-UHFFFAOYSA-N	320.324	1.670	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1ccc(OC(C)C)c(C)c1	55555524	STDYIJBKHYMZGQ-UHFFFAOYSA-N	316.379	1.722	50	20	DDGD	
CN(CC(=O)NNC(=O)CC(C)(C)C)C(=O)c1cccs1	103198086	PDFZILMZQALTPJ-UHFFFAOYSA-N	311.407	1.404	50	20	DDGD	
COCCOc1ccccc1C(=O)NNC(=O)CC(C)(C)C	103196708	OJEWNULEVZLJQY-UHFFFAOYSA-N	308.378	1.909	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cccc(C#N)c1)c1ccccc1	103436901	IPPHSAKLCSAZIN-UHFFFAOYSA-N	322.368	1.846	50	20	DDGD	
N#CC1(C(=O)NNC(=O)c2ccc3ccccc3c2)CCOCC1	109140627	ZPERHYPGUSZREG-UHFFFAOYSA-N	323.352	1.921	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](CC(C)C)N2CCCCC2=O)ncn1	176571390	ZHGFCHFEOPQIBE-CYBMUJFWSA-N	319.409	1.655	50	20	DDGD	
Cc1c(F)cccc1S(=O)(=O)NNC(=O)c1cccn1C	174666573	HBCQKKPITCZQDT-UHFFFAOYSA-N	311.338	1.096	50	20	DDGD	
CN(C)[C@@H](C(=O)NNc1nccnc1Cl)c1ccccc1	114897810	BUYKFGOAIVPVNR-LLVKDONJSA-N	305.769	1.876	50	20	DDGD	
O=C(NNc1ncccn1)Nc1ccn(CC(F)(F)F)n1	119721464	AIMQZARFLVLASE-UHFFFAOYSA-N	301.232	1.384	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1c(F)cccc1Cl	65212003	OCGRZQIHSQCNFR-UHFFFAOYSA-N	317.748	1.389	50	20	DDGD	
CCN(CC(=O)NNC(=O)C1CC1)[C@H](C)c1ccc(F)cc1	112977211	CZUXQFJGLZZCJY-LLVKDONJSA-N	307.369	1.766	50	20	DDGD	
C[C@H]1CN(C[C@@H](C)O)CCN1C(=O)C1CCC(Cl)CC1	1346592784	YGBMTKOBTMRQQT-MRFVTOPCSA-N	302.846	1.698	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cc2cccnc2C)nc1	1345433460	QIIXMFHGERRAMT-UHFFFAOYSA-N	300.318	1.257	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)Cc2ccccc2F)s1	66785587	HDURITHFMXNJPO-UHFFFAOYSA-N	307.350	1.903	50	20	DDGD	
CCOc1ncccc1C(=O)NNC(=O)NCc1ccco1	65176594	RPZBWLLQNTZQIL-UHFFFAOYSA-N	304.306	1.218	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cn1	22413013	LPOHTOIBZFLUCU-NSHDSACASA-N	317.320	1.758	50	20	DDGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1cnns1	112693032	SNXZMERRUCDFGS-UHFFFAOYSA-N	322.737	1.998	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cc3ccccc3o2)n(C)n1	175177827	GYLJPSFDDIGFPI-UHFFFAOYSA-N	313.317	1.941	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccccc1C[S@](C)=O	184320976	SWNBAWMOWAWVDY-CWKPULSASA-N	311.407	1.764	50	20	DDGD	
C[C@H](O)CN(C)S(=O)(=O)c1ccc(CCCCl)cc1	182436672	RGZQAHSKQCMGRJ-NSHDSACASA-N	305.827	1.859	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCC[C@H]1CCCCO1	181798362	WWUFTHNGZKONPU-CYBMUJFWSA-N	323.368	1.658	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1cccc2cnccc12	184493335	IFUDCYWQIRFRGD-UHFFFAOYSA-N	314.345	1.367	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(N2CCCC2)nc1	123404940	YGHCOIYZXGCRCJ-NCPSJORJSA-N	314.389	1.740	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C1(C#N)CCC1	76989064	BITJZONTDXRTKR-UHFFFAOYSA-N	301.346	1.469	50	20	DDGD	
C[S@](=O)c1ccc(NC(=O)NNC(=O)c2ccncc2)cc1	186161164	TWAITLTZDWKBSA-QFIPXVFZSA-N	318.358	1.286	50	20	DDGD	
CN(C)C(=O)c1cccc(C(=O)NNC(=O)c2ccccc2)c1	75461102	LFMWHAAPJOVBLD-UHFFFAOYSA-N	311.341	1.463	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H](C)N1CCN(C)CC1	185739155	OAHWEQSJXYNHPY-LLVKDONJSA-N	323.349	1.145	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2c(C)ccn(C)c2=O)o1	186499891	DNDDZLLSIOIAMA-UHFFFAOYSA-N	304.306	1.062	50	20	DDGD	
CC[C@H]1CCCC[C@H]1OCC(=O)NNC(=O)Cc1cc[nH]n1	186290834	ILMLPEUGRZNDMF-WCQYABFASA-N	308.382	1.085	50	20	DDGD	
CCOC1CC(CCNC(=O)NNc2ccc(OC)cn2)C1	189627179	YIRBEXWWGXLKBZ-UHFFFAOYSA-N	308.382	1.922	50	20	DDGD	
CC[C@@H]1C[C@@H](C(=O)NNC(=O)COc2ccc(F)cc2)CCO1	183340791	HXRZCKOUTPLBMP-WCQYABFASA-N	324.352	1.557	50	20	DDGD	
C[C@H](C[S@](C)=O)NC(=O)NNc1ncnc2ccsc12	183648336	OKYWVPJIGFECSD-GLEHDBDLSA-N	313.408	1.084	50	20	DDGD	
Cc1cncc(CNC(=O)NNC(=O)c2cccc(C#N)c2)c1	134103884	WHVVAPOGNHZBIR-UHFFFAOYSA-N	309.329	1.406	50	20	DDGD	
CC(C)(C)OCc1cc(C(=O)NNC(=O)c2ccc[nH]2)no1	184763956	CZZKWMJTPDGFNO-UHFFFAOYSA-N	306.322	1.393	50	20	DDGD	
COC(=O)CCCC(=O)NNC(=O)c1cccc2ccccc12	131268256	HHSSHRDBZSRTIF-UHFFFAOYSA-N	314.341	1.944	50	20	DDGD	
CC(C)N(CC(=O)NNC(=O)c1ccccc1)CC1CCC1	193211157	OVATWMTZXSLWRI-UHFFFAOYSA-N	303.406	1.958	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccc(-n2ccnc2)cc1	81027074	XUPDSLZJZKQLQA-UHFFFAOYSA-N	321.340	1.271	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C[C@H]1CCCOC1	195010115	CMDXFRDZJAXPLS-NWDGAFQWSA-N	324.352	1.557	50	20	DDGD	
CCCSCC(=O)NNC(=O)NCCc1cccs1	49167085	SNXWKSZZHDALDD-UHFFFAOYSA-N	301.437	1.764	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)o1	84292417	AWUAOQWGQBRDLY-ZDUSSCGKSA-N	314.297	1.131	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1ncc(F)cc1F	191878047	XYGQMFDTXMOTGP-UHFFFAOYSA-N	316.267	1.916	50	20	DDGD	
CN(c1c(F)cccc1C(N)=O)S(=O)(=O)CCCCCl	190817559	HEBYZCUSTDMFKK-UHFFFAOYSA-N	322.789	1.710	50	20	DDGD	
CN(C)c1noc(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)n1	193899975	CZBDDJISTDAWBM-XFFZJAGNSA-N	313.317	1.065	50	20	DDGD	
Cc1c(CCC(=O)NNc2cnc3ccccc3n2)cnn1C	193518264	XNMGDZXBXSMRMM-UHFFFAOYSA-N	310.361	1.748	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)Cc2ccccc2O)c1	93546128	KMJOLKMYDDVEOJ-UHFFFAOYSA-N	302.721	1.998	50	20	DDGD	
Cc1oc(-c2ccccc2)nc1CC(=O)NNC(=O)c1ccc[nH]1	97038483	MXUXAVITKGMNCR-UHFFFAOYSA-N	324.340	1.982	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H](C)[C@H]1CCOC1	266450234	AWSXRPZUUQWGJK-QWRGUYRKSA-N	307.350	1.064	50	20	DDGD	
CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)C2CCC2)cc1	264792397	SAMXRCIQOGGNAJ-UHFFFAOYSA-N	303.362	1.842	50	20	DDGD	
Cc1ccc([C@@H](O)CNC(=O)NNC(=O)c2ccc(C)s2)o1	265984329	MYRPTRUBHUFIMD-JTQLQIEISA-N	323.374	1.636	50	20	DDGD	
COc1ccc([C@H](C)CC(=O)NNC(=O)N2CCOCC2)cc1	267331667	HRRGUKAOARAVGP-GFCCVEGCSA-N	321.377	1.262	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NC[C@@H]1CCOC1	263922162	DFGJKAGBARFOHS-AWEZNQCLSA-N	305.378	1.376	50	20	DDGD	
CC[C@H](C)[C@@H](C)NC(=O)NNc1nc(O)c2cnn(C)c2n1	269414811	OACNYVSHNOBQSM-JGVFFNPUSA-N	307.358	1.130	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCN2C2CCCC2)o1	269654985	JAOMYVIRXURDLV-ZDUSSCGKSA-N	305.378	1.756	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccn(Cc2ccncc2)n1	276021595	KMPSNYBOMSQFLW-UHFFFAOYSA-N	317.353	1.024	50	20	DDGD	
CNS(=O)(=O)c1cc(C(=O)N2CC=C(C#N)CC2)ccc1F	272665423	ITNRNWFRBWSMDM-UHFFFAOYSA-N	323.349	1.030	50	20	DDGD	
O=C(CCOCC(F)F)NNc1ccc(C(F)(F)F)nn1	276846162	QMJALURBMRVFSF-UHFFFAOYSA-N	314.214	1.610	50	20	DDGD	
COC(=O)c1cccc([C@@H](C(=O)OC)N2CC=C(C#N)CC2)c1	270902550	ARFPGXPWFOEPHP-HNNXBMFYSA-N	314.341	1.843	50	20	DDGD	
CC[C@@H]1C[C@H](CC(=O)NNC(=O)CNc2ccccc2)CCO1	272900890	PQZANWAIIFRVLJ-UKRRQHHQSA-N	319.405	1.841	50	20	DDGD	
CCc1onc(C)c1NC(=O)C(=O)NNC(=O)OC(C)(C)C	274259427	WKKQKURMHBAVMX-UHFFFAOYSA-N	312.326	1.040	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2O)CCO1	271838653	ARBVUFFPXQYOLR-DTWKUNHWSA-N	312.753	1.622	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCCOCc1ccc(OC)cc1	272708103	WSABGXSNWCRTSQ-UHFFFAOYSA-N	323.393	1.685	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1nnc(C2CC2)s1	273639795	UFOAWKBXUKISGC-UHFFFAOYSA-N	313.383	1.337	50	20	DDGD	
CNS(=O)(=O)c1cc(C(=O)NCC(Cl)Cl)c(C)o1	288779282	DJIWQXMCOBQQFY-UHFFFAOYSA-N	315.178	1.030	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C[C@H]2CCCC(=O)N2)cc1	289001690	WOIOZBXFERUCNK-CYBMUJFWSA-N	303.362	1.069	50	20	DDGD	
Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NNc1ccccc1F	281611390	PGCFANFJFPXQKV-MRXNPFEDSA-N	319.336	1.190	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H]1CCC(=O)c2ccccc21	283268014	CUEDWCJCHZHAFT-CYBMUJFWSA-N	319.361	1.114	50	20	DDGD	
O=C(CS(=O)(=O)C1CCCC1)NNc1cccc(F)n1	286650605	UQEHSONZZHVQIJ-UHFFFAOYSA-N	301.343	1.021	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NNc1nccc(OC)n1	281167345	CWMJLWUWJGETEF-CMPLNLGQSA-N	307.354	1.093	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)/C=C2\CC[C@H](C)C2)cc1	282809349	NHVIJYUIFPMZCN-CVCOIXHCSA-N	315.373	1.827	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCSC[C@@H]1C	299187363	CJYZLDRTFLEKCE-ZDUSSCGKSA-N	321.446	1.122	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@]12CCc1ccccc12)[C@H]1CCCCO1	295269833	BTDOGNHXYAXTFF-HDMKZQKVSA-N	314.385	1.607	50	20	DDGD	
CCOc1ccc(NNC(=O)NC2CN(C(=O)OC)C2)cc1	297135799	CHAQPZXEQDIZCX-UHFFFAOYSA-N	308.338	1.162	50	20	DDGD	
CCn1cc([C@@H](C)NC(=O)NNc2nc(C)cc(OC)n2)cn1	297373602	KJNMKTNWSHYPOL-SNVBAGLBSA-N	319.369	1.397	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)N=c1cc[nH]cc1	802028106	JYLBGTBFVYNLOJ-YPMHNXCESA-N	306.366	1.252	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](C)Oc2ccc(C=O)cc2)nc1	803151191	XOZMJVAQBGPCBC-NSHDSACASA-N	315.329	1.813	50	20	DDGD	
CCC(C)(C)N[C@@H](C)C(=O)NNc1ccc(-n2ccnc2)nn1	804952853	TUVPTHNNIYRWEP-NSHDSACASA-N	317.397	1.272	50	20	DDGD	
C[C@@H](CCNS(=O)(=O)CCl)N(C)C(=O)OC(C)(C)C	1347838515	LLXRFFMKILEWRQ-VIFPVBQESA-N	314.835	1.748	50	20	DDGD	
COc1ccccc1OCCNC(=O)NNc1ncccc1F	804858460	AWWGDJSKHQZXON-UHFFFAOYSA-N	320.324	1.934	50	20	DDGD	
NC(=O)c1ccccc1CCC(=O)NNc1ncccc1F	804220123	YDFMESVXSCEKGG-UHFFFAOYSA-N	302.309	1.396	50	20	DDGD	
Cc1ccc2snc(C(=O)NNC(=O)[C@@H]3CCCCO3)c2c1	295579749	OFPGWFUOQIUKMJ-NSHDSACASA-N	319.386	1.935	50	20	DDGD	
O=C(Cc1cccc(N2CCCC2=O)c1)NNC(=O)CC1CC1	294009181	BGGZIXDOZWLKJR-UHFFFAOYSA-N	315.373	1.303	50	20	DDGD	
Cc1nn(C)c2cc(NC(=O)NNC(=O)CC3CC3)ccc12	291679989	HFJXZEJXJVIBTA-UHFFFAOYSA-N	301.350	1.835	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)N=c1cc[nH]cc1)c1ccc(F)cc1	802025507	ACDSJESKKBZDOH-KHPPLWFESA-N	314.320	1.899	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NNc2cccc(F)n2)n1	804766980	ZTJRKGQDCORTSM-UHFFFAOYSA-N	307.354	1.863	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1ccn2ccnc2c1	296942378	BRLOYFZSEGOIJT-NSHDSACASA-N	303.322	1.056	50	20	DDGD	
CCCc1cc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)n[nH]1	803428377	CRLNYTUZACHEOP-UHFFFAOYSA-N	311.345	1.961	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1cccc2nc[nH]c12	804955425	TUCCFNDXGOOOBB-UHFFFAOYSA-N	320.316	1.296	50	20	DDGD	
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)CC1CC1	294052261	FTSVJOZJXZZIMS-UHFFFAOYSA-N	306.322	1.222	50	20	DDGD	
O=C(COC1CCNCC1)NNc1ccccc1C(F)(F)F	817916179	BCGDXZHFVWFFAP-UHFFFAOYSA-N	317.311	1.917	50	20	DDGD	
Cc1ccc(NNC(=O)NCC[C@@]2(O)C[C@H]3CC[C@H]2C3)nn1	813787389	FHEXQSRXACBSJK-SLEUVZQESA-N	305.382	1.352	50	20	DDGD	
COc1cc(C(C)=NNC(=O)N=c2cc[nH]cc2)ccc1O	815002206	QHGZEDXNFICMLT-UHFFFAOYSA-N	300.318	1.763	50	20	DDGD	
CC(=NNC(=O)c1c[nH]nc1C)c1cn(-c2ccccc2)nn1	814852284	QXDFMMGFJSPUQV-UHFFFAOYSA-N	309.333	1.453	50	20	DDGD	
CCc1nocc1C=NNC(=O)C(=O)Nc1ccc(C)c(C)c1	814768763	LJPPXEVFBXHXDT-UHFFFAOYSA-N	314.345	1.943	50	20	DDGD	
CCCN(CC)C[C@H](C)NC(=O)NNC(=O)c1ccc(C)o1	811977624	GVJOOOMRMJJCAW-NSHDSACASA-N	310.398	1.652	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)Cc1ccc(F)cc1)n1cccn1	819012922	LXXRTAGSAKEEMI-NSHDSACASA-N	304.325	1.363	50	20	DDGD	
CCOc1ccc(NNC(=O)C(=O)Nc2cnns2)cc1	815815613	JSPBYURFIHQGAO-UHFFFAOYSA-N	307.335	1.019	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ncc(C#N)cc1C	816772758	LSLQRQLTSMEJPX-UHFFFAOYSA-N	324.340	1.274	50	20	DDGD	
Cn1nc(C(=O)NN=C2CC[C@@H]2C2CC2)c2ccccc2c1=O	814739042	AJJITZJBMWUSDJ-LLVKDONJSA-N	310.357	1.839	50	20	DDGD	
CC(C)(O)CN1CCC(=NNC(=O)NC2CCCCC2)CC1	814213398	KZBIXZIXICICMI-UHFFFAOYSA-N	310.442	1.841	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1ccn(-c2ccccc2)n1	815001894	YHJBJCSODXQPPT-UHFFFAOYSA-N	306.329	1.845	50	20	DDGD	
CCCCS(=O)(=O)/C(C#N)=C/c1cc(C(=O)OC)n(C)c1	811692214	XVAGVHVFHQZHCW-KPKJPENVSA-N	310.375	1.891	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NNC(=O)CC2CC2)C1	819104645	QRKIRYVHMMZEQV-GFCCVEGCSA-N	309.410	1.219	50	20	DDGD	
CCOC(=O)[C@H](CC(=O)NNc1ccccc1[N+](=O)[O-])C(C)=O	816918162	QPZCMUVGGLNVAC-SNVBAGLBSA-N	323.305	1.196	50	20	DDGD	
COc1ccnc(NNC(=O)c2cccc(C)c2NC(C)=O)n1	729313713	YFPWLRIRUYKAIQ-UHFFFAOYSA-N	315.333	1.509	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2ccc(F)c(F)c2F)c1[N+](=O)[O-]	728715567	NSSNIFSOHSPFJD-UHFFFAOYSA-N	315.211	1.801	50	20	DDGD	
CCn1cc(C(=O)NNc2ccc(C)c(C(=O)OC)c2)cn1	816688569	WYCOGOOVCKXXAP-UHFFFAOYSA-N	302.334	1.755	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)CNc1ccc(C)cc1C	812456244	UGWCEDGVSZOEQE-KGLIPLIRSA-N	321.421	1.781	50	20	DDGD	
O=C(NNC(=O)c1cnc2c(F)cccc2c1)c1ccncc1	814184939	MTKNXDLCLXEDFN-UHFFFAOYSA-N	310.288	1.844	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CCCCO2)nn1C(C)C	817357877	HVCZUGXNLASCAJ-NSHDSACASA-N	309.370	1.494	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CCCN2c2ccccc2)nc(N)n1	828371305	HZEDXKLUTFUQMJ-CYBMUJFWSA-N	312.377	1.479	50	20	DDGD	
CC(C)[C@H](NC(=O)O)C(=O)NNC(=O)c1cc2ccccc2o1	824135415	FLCMXCVGXSPRPR-LBPRGKRZSA-N	319.317	1.486	50	20	DDGD	
O=C(NNC(=O)[C@H](CN1CCCC1)c1ccccc1)NC1CC1	823768512	XICZNGFYVMQMJC-OAHLLOKOSA-N	316.405	1.359	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C[C@@H]1CCC(=O)N1C	825223083	XPLJLCDXELVJSZ-VIFPVBQESA-N	308.290	1.520	50	20	DDGD	
CCOCc1nc(C)c(C(=O)NNC(=O)C2CCCC2)s1	822473948	DBMOLMHHTJYZCZ-UHFFFAOYSA-N	311.407	1.939	50	20	DDGD	
O=C(COC(=O)C1CCCCCC1)NNC(=O)c1ccccc1	726212289	UPRUTQXJHLFPRP-UHFFFAOYSA-N	318.373	1.961	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(C)cc(C(=O)OC(C)(C)C)c1	823889051	GTKOWRPHFBNXSM-UHFFFAOYSA-N	322.405	1.909	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccccc2F)nn1C(C)C	822192251	FYVNHSVQNNXCKV-UHFFFAOYSA-N	304.325	1.986	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1cnc2ccccn12	825103421	XVYXSIDKBBBALN-SNVBAGLBSA-N	303.322	1.056	50	20	DDGD	
O=C(C/C=C/Cc1ccccc1)NNC(=O)[C@@H]1CCCCO1	823237287	QWXWATVRECFVGK-RGDDUWESSA-N	302.374	1.892	50	20	DDGD	
C=CC[C@H](CO)CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	490812468	KYKISBGNDYLMMK-CODCLWSRSA-N	312.373	1.413	50	20	DDGD	
COCCCNC(=O)NNC(=S)N[C@@H](C)c1cccs1	726482925	PDTUXEVYGZPUAV-VIFPVBQESA-N	316.452	1.524	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21	827604588	AUAYDICYONTEDA-KWCYVHTRSA-N	317.389	1.757	50	20	DDGD	
Cc1cccc([C@@H]2CCCN2CC(=O)NNC(=O)C(C)C)c1	827472259	BQUWQMBPCMPNDW-HNNXBMFYSA-N	303.406	1.935	50	20	DDGD	
C[C@]1(C(=O)NC[C@H]2CCCS(=O)(=O)C2)C[C@@H]1Br	908208071	WNAKKXYGHXRSCK-YWVKMMECSA-N	324.240	1.101	50	20	DDGD	
CC(C)[C@H]1C[C@@H](C(=O)NNC(=O)OCC(F)(F)F)CCO1	825520395	YJZQFKAJVQEEOM-DTWKUNHWSA-N	312.288	1.757	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21	906583214	VJGWZYCRTOSKSU-HFBAOOFYSA-N	311.341	1.014	50	20	DDGD	
CO[C@@H]1COCC[C@@H]1CNC(=O)[C@]1(C)C[C@H]1Br	908671535	BEPJZEQTDHGWKS-DNRKLUKYSA-N	306.200	1.328	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)c1c(C)nc2ccccn12)C(C)C	490994279	BIMSSZBYUZNZAS-LBPRGKRZSA-N	313.361	1.245	50	20	DDGD	
CCCOc1cc(C)ccc1CNCc1ccccc1B(O)O	585028947	SVDRWARUDYALTJ-UHFFFAOYSA-N	313.206	1.753	50	20	DDGD	
COc1cccc([C@H](NCc2ccc(B(O)O)o2)C(C)(C)C)c1	585030421	FXTPDJMVKGAULC-INIZCTEOSA-N	317.194	1.845	50	20	DDGD	
CC(C)OCc1ccc(CNCc2cccc(B(O)O)c2)cc1	585017184	OIOFGGHKUVEUOP-UHFFFAOYSA-N	313.206	1.581	50	20	DDGD	
O=C(c1csc(Cc2ccccc2)n1)N1CC[C@H](B(O)O)C1	585068861	GGYUCHKHINBGSU-LBPRGKRZSA-N	316.191	1.423	50	20	DDGD	
O=C(c1cc(-c2ccc(F)cc2)on1)N1CC[C@@H](B(O)O)C1	585067418	WPWYAESBIKCRQB-SNVBAGLBSA-N	304.086	1.170	50	20	DDGD	
CC(C)(NC(=O)O)C(=O)NNc1ccc(OC(F)F)cc1	833461378	PBJHIGLSOFVMTG-UHFFFAOYSA-N	303.265	1.777	50	20	DDGD	
CCOC1(C(=O)NNc2cc(F)cc(OC)c2)CCOCC1	830842950	MXUNSGAMJQPQTH-UHFFFAOYSA-N	312.341	1.863	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)COC1CCOCC1	735248865	QSJIWEZGSVTCLP-UHFFFAOYSA-N	311.290	1.704	50	20	DDGD	
CCC[C@@H](CC(C)C)C(=O)O[C@@H](C)C(=O)NNC(=O)CC	838250615	ACBIFXSYNWBKFO-RYUDHWBXSA-N	300.399	1.938	50	20	DDGD	
CO[C@@H](C)c1cccc(NCc2ccc(B(O)O)cc2F)c1	585013051	JIGFBGDZGNGSIM-NSHDSACASA-N	303.142	1.825	50	20	DDGD	
CCn1nc(C(=O)Oc2ccc([N+](=O)[O-])cc2OC)ccc1=O	731984487	KJHKUUQYSJGJFO-UHFFFAOYSA-N	319.273	1.399	50	20	DDGD	
Cc1ccc(-n2nc(C(=O)N3CC[C@H](B(O)O)C3)cc2C)cc1	585063957	AFJAOICFOVMDBO-ZDUSSCGKSA-N	313.166	1.178	50	20	DDGD	
N#Cc1cccc(NNC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]32)c1	830767262	ZCMGCTWDVHZRQC-KFWWJZLASA-N	312.373	1.696	50	20	DDGD	
CC(C)[C@@H](C(=O)NN=c1cc[nH]cc1)N1Cc2ccccc2C1=O	831867431	DJMPWIIMCHXSJE-INIZCTEOSA-N	324.384	1.627	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NOC2CCC2)cc1	836566584	VQAONGMYMIMAQC-UHFFFAOYSA-N	307.350	1.442	50	20	DDGD	
CC[C@@H](Cc1ccc(C)cc1)NC(=O)c1ccc(B(O)O)cc1	584956162	UEPFBOICFLWCCT-KRWDZBQOSA-N	311.190	1.426	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=C2C[C@@H](C)O[C@@H]2C)n1	834920651	MUHHJYUNHRLIAF-GHMZBOCLSA-N	308.407	1.855	50	20	DDGD	
CNC(=O)C1(C(=O)NNC(=O)C(C)(C)c2ccccc2)CCC1	731201021	DTIGOJZBOJQZHW-UHFFFAOYSA-N	317.389	1.028	50	20	DDGD	
Cc1cccc2c1O[C@@H](C(=O)NNC(=O)[C@@H]1CCCCO1)C2	833235486	FIKAPTHMXLCOKJ-QWHCGFSZSA-N	304.346	1.015	50	20	DDGD	
O=C(NC[C@H]1CCCNC1)NNC(=O)c1ccc(Cl)cc1	841925361	DBRCWHJTIWUZQS-JTQLQIEISA-N	310.785	1.284	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@@H]1CC[C@@H]2CNC[C@@H]2C1	842015940	RWLYOHDBGCLBSN-KXUCPTDWSA-N	310.789	1.144	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CC1(NC(=O)OC(C)(C)C)CCC1	910162010	BQEYKRCZGLVUGP-LLVKDONJSA-N	315.414	1.168	50	20	DDGD	
COc1ccc(C(=O)C[C@H](C)C(=O)NN(C)C[C@H](C)O)cc1	910151655	HRNPTAPKWQIOPJ-RYUDHWBXSA-N	308.378	1.248	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1C1CC1	843656065	LVOYOMYDUYRIRZ-ZWNOBZJWSA-N	318.373	1.759	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C=C2CCCC2)cc1OC	917542173	NEDNQKYOKVEZNF-UHFFFAOYSA-N	304.346	1.965	50	20	DDGD	
COc1ccc([C@H](C)CC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	843654345	RCQYHNZPNRDVKG-JMSVASOKSA-N	320.389	1.761	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cccc3c2OCO3)n1	746628082	TYGWXTWMFPEETD-UHFFFAOYSA-N	302.290	1.279	50	20	DDGD	
COc1cccc([C@H](C)CC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	843653922	OZOALVLXEBANIX-TYNCELHUSA-N	320.389	1.761	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)N[C@@H]1CCN2CCC[C@@H]2C1	745563734	VFEDEYXRCVABNH-ZYHUDNBSSA-N	309.801	1.988	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)COC2(C)CCC2)cc1	846374435	PDKSIGKDKPOHOY-UHFFFAOYSA-N	306.362	1.804	50	20	DDGD	
O=C(CN1CCCC1=O)NNC(=O)c1ccc2sccc2c1	913731684	RPINRYVWTRKXGB-UHFFFAOYSA-N	317.370	1.285	50	20	DDGD	
Cc1n[nH]c(C)c1CCC(=O)NNC(=O)CCc1ccccc1	749851211	ALVODHLATWCWIK-UHFFFAOYSA-N	314.389	1.739	50	20	DDGD	
NC(=O)c1csc(C(=O)NNc2cccc([N+](=O)[O-])c2)c1	748004278	AFEWDGJCFKXBSM-UHFFFAOYSA-N	306.303	1.512	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@](C)(O)[C@@H](C)c1ccccc1	843977764	HUBFPSZAVUTKAG-MYLCLEHYSA-N	320.389	1.114	50	20	DDGD	
C=CCOCC(=O)NNC(=O)c1cccc(Br)c1	742771281	MCTIISMEAOIICM-UHFFFAOYSA-N	313.151	1.413	50	20	DDGD	
COc1ccc(CNC(=O)NNc2ccccn2)cc1[N+](=O)[O-]	918127134	IHZWVAZLFXGISE-UHFFFAOYSA-N	317.305	1.825	50	20	DDGD	
O=C(NCc1cn2ccccc2n1)NNC(=O)C1CCCC1	915907393	JTPJCCUUDCVUFA-UHFFFAOYSA-N	301.350	1.355	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843645685	GLBAQPLUSJIBAB-MWLCHTKSSA-N	307.306	1.089	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NNc1ccc(Cl)nn1	918779008	WLSGBAGKQRBIJL-UHFFFAOYSA-N	320.740	1.410	50	20	DDGD	
C=CC(=O)N(CC)CC(=O)NC[C@@]1(C)C[C@@H]1Br	912826996	FRFLYNLDTDSUCF-JOYOIKCWSA-N	303.200	1.311	50	20	DDGD	
CCn1ccc(C(=O)NNC(=O)c2cccc(N(C)C)c2)n1	843518476	WQQPTIBKDYAELE-UHFFFAOYSA-N	301.350	1.044	50	20	DDGD	
CO[C@@]1(C=NNC(=O)[C@@H](C)Oc2ccc(F)cc2)CCOC1	841610369	HNCJFEAYPHYNRO-IAQYHMDHSA-N	310.325	1.501	50	20	DDGD	
Cn1nc(C(=O)NN=Cc2ccsc2)c2ccccc2c1=O	916315911	BQZPZMZVJUWQBY-UHFFFAOYSA-N	312.354	1.759	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cccc2nsnc12)C1CC1	912159835	IPNIKZGGEAZLAT-SSDOTTSWSA-N	321.431	1.599	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1ccc(-n2cncn2)c(F)c1	844239566	KMMBHDJPPMZXSB-WUXMJOGZSA-N	316.292	1.503	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1cccc(OCC(=O)O)c1	842558640	YFHFBFXDTRMLEX-MFKMUULPSA-N	306.318	1.025	50	20	DDGD	
CNCCNC(=O)NNc1ccc(Br)c(F)c1	841937291	WTFAVPPQIAZDGM-UHFFFAOYSA-N	305.151	1.434	50	20	DDGD	
Cc1ccc(-c2nn(C)cc2C=NNC(=O)N2CCOCC2)o1	842525241	OINSWROWMNXALO-UHFFFAOYSA-N	317.349	1.364	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@H]2CC23CCCC3)c1O	747512273	MGGOVFULAAWDKF-LLVKDONJSA-N	304.346	1.742	50	20	DDGD	
CC(=NNC(=O)N(C)C)c1cccc(N2CCCS2(=O)=O)c1	741162829	LDWVVXXRVOGONJ-UHFFFAOYSA-N	324.406	1.222	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNC(=O)c2cccc(C#N)c2)no1	741919230	BYESGTNZFNVINQ-UHFFFAOYSA-N	312.329	1.919	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@@H]1CCCN2CCCC[C@H]12	847442934	PCRKZMYDLMWNHJ-GHMZBOCLSA-N	324.816	1.773	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H](C(=O)O)C(C)C)c1	848589068	FJGBXFGNZGKOSB-LBPRGKRZSA-N	323.349	1.456	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](C)Cc1ccc(C#N)cc1	848224496	CBTLFKHEFKURSV-NSHDSACASA-N	311.345	1.679	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)CCC(C)(F)F	920425280	WJIRXPPHXJEPAT-UHFFFAOYSA-N	316.304	1.657	50	20	DDGD	
CNC(=O)NN=Cc1cc(Br)c2c(c1)OCCO2	920378063	UHMJSAAWFSDHKV-UHFFFAOYSA-N	314.139	1.483	50	20	DDGD	
CCNC(=O)NN=Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1	920825940	XYRXOGUUFSCUBE-UHFFFAOYSA-N	316.321	1.648	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)CNc2cccc(OC)c2)cn1	920987799	SULZMFGFWSQTTA-UHFFFAOYSA-N	315.377	1.864	50	20	DDGD	
Cc1cc(NNC(=O)/C=C/CN2CCOCC2)ccc1Cl	928340212	UNCQIDYHSWZPRR-NSCUHMNNSA-N	309.797	1.980	50	20	DDGD	
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NNc1ccc(-n2ccnc2)nn1	854448010	AHEWBEFPXOHQMN-GHMZBOCLSA-N	316.365	1.309	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCc2nccs2)c1	858166171	BHHAAVMNEUYNEH-UHFFFAOYSA-N	310.404	1.700	50	20	DDGD	
CC1(CNC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])CC1	753023538	NVCMTWQQZPAKFN-UHFFFAOYSA-N	322.321	1.104	50	20	DDGD	
COC(=O)C12CC(C(=O)NC[C@@]3(C)C[C@H]3Br)(C1)C2	857385523	ISMFVSURBRYUPH-IJTLZXTRSA-N	316.195	1.619	50	20	DDGD	
C[C@@H](CCc1cccc(F)c1)C(=O)NNC(=O)c1cc[nH]n1	855357577	LWDXOCYHMHANNZ-JTQLQIEISA-N	304.325	1.579	50	20	DDGD	
Cc1cc(CC(=O)NN=c2sc3ccccc3n2C)n[nH]1	755109375	OIFWXOOEOVZLOQ-UHFFFAOYSA-N	301.375	1.446	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(Cl)cc1F)c1ncnn1C	922155726	BZWTZLULTZRNNH-SSDOTTSWSA-N	312.736	1.995	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(F)c(C(F)(F)F)c1	854925920	PGCQBKDRWABYCH-UHFFFAOYSA-N	309.288	1.925	50	20	DDGD	
CC(=O)NNC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2	929182364	MFEGBGBBPIIVCK-UHFFFAOYSA-N	319.361	1.765	50	20	DDGD	
O=C(CSC(F)F)NNC(=O)Cc1ccc(Cl)cc1	920821240	QUYRNELYUVXEBL-UHFFFAOYSA-N	308.737	1.986	50	20	DDGD	
O=C(NNC(=S)NC[C@H]1CCCCO1)c1ccccc1O	758173828	XEFDWYWEVJQCBB-SNVBAGLBSA-N	309.391	1.070	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNC(=O)c2ccccn2)cc1	758040206	OEOFNIXAQRVYRG-LBPRGKRZSA-N	313.357	1.730	50	20	DDGD	
COCC(C)(C)C=NNC(=O)c1nn(-c2ccccc2)cc1O	754917747	LQPQRULBGZYBQZ-UHFFFAOYSA-N	316.361	1.966	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)O1	756901181	IZNBGDYJLHNOHL-JQWIXIFHSA-N	306.318	1.134	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)CC[C@H]1CCCCO1	854282231	SLIZLDCKESGANG-GFCCVEGCSA-N	317.455	1.210	50	20	DDGD	
CO[C@@H](CC(=O)NNC(=S)N[C@@H](C)C1CC1)C(F)(F)F	855095139	IYHXVNFRCHDPCG-XPUUQOCRSA-N	313.345	1.248	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cccc(C(=O)OC)c1	929668873	GMBZTIYFJTWKLA-UHFFFAOYSA-N	303.318	1.429	50	20	DDGD	
COC(=O)c1cc(C(=O)NC[C@@]2(C)C[C@H]2Br)on1	857393941	JVBHSUGMANYIAV-LDYMZIIASA-N	317.139	1.365	50	20	DDGD	
CO[C@@H]1COC[C@@H]1NC(=O)NNc1ccc(Cl)cc1F	922860486	JLZVXUXNDWKWFI-WDEREUQCSA-N	303.721	1.519	50	20	DDGD	
Cc1nc(O)ccc1C(=O)NNc1ccc(C(F)(F)F)nn1	755189807	WEYDLMLZXVOIPK-UHFFFAOYSA-N	313.239	1.661	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)c1ccc(Br)o1	758938716	DNCBJXCLITZEDN-UHFFFAOYSA-N	311.157	1.008	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCCN1CCOC1=O	754548148	CIIJMMYOEXDPKH-XFXZXTDPSA-N	302.286	1.295	50	20	DDGD	
CSSCCNC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21	854395017	YYVARMWOVSIZMU-GMTAPVOTSA-N	302.465	1.809	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)Cc2ccc(C)o2)c1	753888671	ALTMAKKIZNBORA-UHFFFAOYSA-N	318.329	1.609	50	20	DDGD	
Nc1nc(Cl)ccc1C(=O)NNC(=O)NC1CCCCC1	854192753	UHDLOQAFNYFTME-UHFFFAOYSA-N	311.773	1.594	50	20	DDGD	
O=C(N[C@H]1C[C@H](C(=O)O)C1)[C@@]12CC[C@@H](C[C@H]1Br)C2	851624171	AAZKMULAPZXNMJ-PXSXMVNOSA-N	316.195	1.920	50	20	DDGD	
O=C(NN=Cc1cnc[nH]1)c1cc(Br)ccc1O	755742295	AUTAXPOOEQMJJO-UHFFFAOYSA-N	309.123	1.642	50	20	DDGD	
CCN1CC[C@H](NC(=O)NNc2ccc(Cl)cc2F)C1=O	922382848	ITOBENMCUMZOKT-NSHDSACASA-N	314.748	1.726	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C	854925113	BMWZUNNFSFNFJJ-VIFPVBQESA-N	318.443	1.003	50	20	DDGD	
Cn1cc(C(=O)NNC(=S)NCC2CCC2)c(C(C)(C)C)n1	855089616	YULLJFFPYNQGFF-UHFFFAOYSA-N	323.466	1.627	50	20	DDGD	
O=C(NCCC1CCC1)NNC(=O)[C@H]1COc2ccccc2O1	755266532	RZDYBXHUQOWQTR-CQSZACIVSA-N	319.361	1.347	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccc(F)cc1Cl	755369767	DMNGATWUSRXARS-UHFFFAOYSA-N	311.704	1.977	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccccc1CN1CCOCC1	753936245	WULHQQNZGZGFAV-UHFFFAOYSA-N	318.377	1.082	50	20	DDGD	
CCN(CC)C(=O)CNC(=O)NC[C@@]1(C)C[C@H]1Br	856825653	ANESQILOCMFDJG-BXKDBHETSA-N	320.231	1.328	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1c(F)cccc1Cl	750943747	OYHYMCVYOYAXPZ-UHFFFAOYSA-N	323.711	1.952	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(Br)cn1C	757800128	KUOWBQZPNNLDAO-UHFFFAOYSA-N	312.167	1.352	50	20	DDGD	
C[C@@H]1CN(C(=O)/C(C#N)=C/c2ccc(O)cc2)C[C@@]1(C)CO	856247760	AYCBSNZQHZYOFN-HYRFVURTSA-N	300.358	1.776	50	20	DDGD	
CN(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H](Br)C(C)(C)C	767015431	RPXFFNOHWOUNJF-VHSXEESVSA-N	319.243	1.875	50	20	DDGD	
C[C@@H](NNC(=O)[C@@H](Oc1ccccc1)C(C)(C)O)C(F)(F)F	862320998	QAOSPCZSEXRQDU-MWLCHTKSSA-N	320.311	1.777	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCN2C(=O)CC[C@H]2C1	766046529	IBSHZGWHIMBDBN-LBPRGKRZSA-N	324.812	1.186	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1nc(-c2ccccc2F)cs1	763516484	JIMZDQVGYBKWDI-UHFFFAOYSA-N	322.321	1.055	50	20	DDGD	
OB(O)[C@@H]1CCN(c2nn3cc(-c4ccccc4)nc3s2)C1	864233730	LQRHNGIIYKECMI-LLVKDONJSA-N	314.179	1.511	50	20	DDGD	
COC(=O)NNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1	765853454	AEFKTGVFUNOHAV-SECBINFHSA-N	301.343	1.067	50	20	DDGD	
CNc1c(C(=O)NNc2ncc(F)cn2)cccc1[N+](=O)[O-]	765612233	GFXHKZMLUPLTEY-UHFFFAOYSA-N	306.257	1.323	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCC2(O)CCC2)cc1F	868781180	LHBDOQNOSUWWJG-UHFFFAOYSA-N	310.325	1.751	50	20	DDGD	
C[C@@]1(C(=O)NCCCSC#N)Oc2ccccc2NC1=O	868091201	VHGMAQZFGXHVNN-AWEZNQCLSA-N	305.359	1.497	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H](C)c1ccccc1O	868736744	RCTMPHBZOHMPEN-JFGNBEQYSA-N	307.350	1.209	50	20	DDGD	
CN1CCC(CNC(=S)NNC(=O)CC2CCCC2)CC1	760479371	YCMFZJCJDYVIII-UHFFFAOYSA-N	312.483	1.404	50	20	DDGD	
CNC(=O)C[C@@H](C)NC(=O)NNc1nc2c(C)cccc2s1	868679459	UYWCLJCVMVADBL-SECBINFHSA-N	321.406	1.755	50	20	DDGD	
C#CCCCNC(=O)NNC(=O)CSc1ccccc1OC	761720039	NEFZQHHDKQOAIW-UHFFFAOYSA-N	321.402	1.531	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2cnc3ccccc3n2)c1[N+](=O)[O-]	765996190	ROVIFYQKURUYNQ-UHFFFAOYSA-N	313.277	1.326	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1Cl	766432746	BFCZOPUKSMVKSS-LLVKDONJSA-N	314.794	1.533	50	20	DDGD	
COc1nccnc1NNC(=O)C(=O)c1ccc(Cl)s1	760872917	JWTUTGDSPRCHKX-UHFFFAOYSA-N	312.738	1.526	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)Cc2cc(C)[nH]n2)oc1C	767414052	CVSNSFWQZVJYJQ-UHFFFAOYSA-N	304.306	1.099	50	20	DDGD	
CC#CCCNC(=O)NNC(=O)c1cc(OC)cc(OC)c1	776205675	OXMLTISYLBZITJ-UHFFFAOYSA-N	305.334	1.061	50	20	DDGD	
CCc1ncncc1C(=O)NNc1cccc(S(C)(=O)=O)c1	776533966	UNQMRYAYOUCICI-UHFFFAOYSA-N	320.374	1.199	50	20	DDGD	
CN(C)c1ccncc1C=NNC(=O)CNc1ccccc1F	776183900	SQYUCCZOZPBEDA-UHFFFAOYSA-N	315.352	1.849	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H](C)Sc1nncn1C	772877460	RGGRLHCGTNLWPN-SECBINFHSA-N	321.410	1.352	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)NNC(=O)c1c[nH]nc1C)C(F)(F)F	772530670	IJZWPORAMAJFEY-RCOVLWMOSA-N	321.303	1.639	50	20	DDGD	
COc1ccc(COC[C@H](O)CN2CC=C(C#N)CC2)cc1	779585705	GXWKEKYIXPGNPM-MRXNPFEDSA-N	302.374	1.728	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)c(C2CC2)n1	1118096120	JNEPQRYVJYIKKZ-UHFFFAOYSA-N	323.356	1.896	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21	873769254	NOKBXVNARXQYEZ-OASPWFOLSA-N	321.402	1.438	50	20	DDGD	
Cc1nc(C(C)(C)C)nc(O)c1C(=O)NNc1cccnn1	1116567043	JBJMCSUACMDURO-UHFFFAOYSA-N	302.338	1.335	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCc2cnc(C)s2)n1	772007007	NGYWVBBTGYESEL-UHFFFAOYSA-N	306.395	1.727	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C(C)(C)c1cccnc1	778267702	DXPUXEZUSQNHNN-UHFFFAOYSA-N	313.357	1.829	50	20	DDGD	
Cc1cnccc1C(=O)NNC(=O)CSc1ccccc1O	771439843	PXRIBQJZQXUMDM-UHFFFAOYSA-N	317.370	1.649	50	20	DDGD	
CN(C)c1ccncc1C=NNC(=O)COc1ccccc1C#N	776178678	BHWQGKRIFLUBHI-UHFFFAOYSA-N	323.356	1.548	50	20	DDGD	
Cn1cc(C(=O)NNc2ccnc(Br)c2)ccc1=O	771537616	OSBGYEMEJCGEOZ-UHFFFAOYSA-N	323.150	1.300	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H]2c3c[nH]nc3CC[C@H]2C)c1	880826233	MCSXZURAOVIDRZ-NOZJJQNGSA-N	318.402	1.907	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)CC(C)(C)C#N)cc1	785096149	NMTWZIUOKJUYEU-UHFFFAOYSA-N	317.345	1.239	50	20	DDGD	
CS(=O)(=O)CC1(CC(=O)NNc2cc(F)ccc2F)CC1	885144627	HMAKICBJEMXBOM-UHFFFAOYSA-N	318.345	1.623	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)c2cccc(C#N)c2)c(C)n1	1120601605	TWDFYMUYACOVAS-UHFFFAOYSA-N	311.345	1.548	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cccc2c1OCO2	780737969	GZJSUKZBZBRGJT-UHFFFAOYSA-N	314.297	1.959	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCC(C)(C)C#N	781954407	UNQIZRKZXQGPLA-SNVBAGLBSA-N	322.340	1.473	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C2(SC)CCC2)c1O	787871958	BGKAVYZYFSSDJY-UHFFFAOYSA-N	310.375	1.448	50	20	DDGD	
Cn1cc(-c2n[nH]cc2C(=O)NNc2c(F)cccc2F)cn1	780951538	HANBSTNGYLGLSV-UHFFFAOYSA-N	318.287	1.845	50	20	DDGD	
CN1CC[C@@H](C(=O)NNC(=O)NCc2ccc(Cl)cc2)C1	787430068	YZKARRRMTWJVOK-LLVKDONJSA-N	310.785	1.122	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)c2cccc(OC(F)F)c2)CO1	784092713	AVIMBDFVZHQCJU-WCBMZHEXSA-N	314.288	1.474	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)c1	787253019	IUQWZLNQXVVMET-WDEREUQCSA-N	319.361	1.208	50	20	DDGD	
O=C(Cc1ncccc1F)NNc1cccc(F)c1[N+](=O)[O-]	792491917	QHPLPBMHLZKAPC-UHFFFAOYSA-N	308.244	1.954	50	20	DDGD	
COc1ccc2c(c1)CCCC2=NNC(=O)N1CCN(C)CC1	790182377	UTQWNPZVYZOJOK-UHFFFAOYSA-N	316.405	1.693	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(C3CC3)nn2C)c(O)c1	892925269	ASZYBLCNZUHQFW-UHFFFAOYSA-N	314.345	1.386	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ncccc2C(F)(F)F)n1	794072797	PZIWMPYRIXTXJQ-UHFFFAOYSA-N	324.262	1.879	50	20	DDGD	
COc1cccc(C=NNC(=O)Cn2cnc3ccccc32)n1	790147426	FEUXDRUFSSSWQO-UHFFFAOYSA-N	309.329	1.590	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCC(C)CC1)c1cc(C)n(C)n1	799872575	AOWIKBKGEBRKAI-ZDUSSCGKSA-N	319.453	1.937	50	20	DDGD	
C=C(CBr)COC(=O)[C@@H]1CCc2nnc(C)n2C1	795561188	IBPYFSTXGUEQFL-SNVBAGLBSA-N	314.183	1.643	50	20	DDGD	
C[C@@H]1COCCC1=NNC(=O)C1CCN(c2ncccn2)CC1	794507470	CWHQNALWKQCRJI-GFCCVEGCSA-N	317.393	1.222	50	20	DDGD	
Cc1nc2c(C(=O)NNC(=O)CC(F)(F)F)cccc2o1	792633035	LDQJLTBWSXRVGW-UHFFFAOYSA-N	301.224	1.850	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cc2cc(F)ccc2[nH]1	798313396	GVGDYFNZJZTLFT-UHFFFAOYSA-N	318.230	1.813	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2cc3c[nH]nc3cc2C)c1	792279838	OHCUCMPGCGUAEF-UHFFFAOYSA-N	324.344	1.657	50	20	DDGD	
Cc1cccc(CCNC(=O)NNC(=O)c2cccc(C)n2)c1	792879335	JPEBQPJZLLNKAO-UHFFFAOYSA-N	312.373	1.885	50	20	DDGD	
COc1cccc(C2(C(=O)NNC(=O)c3cccn3C)CC2)c1	794618861	YSWSGKGEQQCVEL-UHFFFAOYSA-N	313.357	1.527	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@H](OC)C2CC2)cc1	792633123	XPYOCNYQUYGBBI-CYBMUJFWSA-N	323.418	1.828	50	20	DDGD	
COc1cccc(NNC(=O)[C@H]2CC[C@H](C(=O)OC)CC2)n1	797975293	KSFQGXFLSPDNHU-XYPYZODXSA-N	307.350	1.513	50	20	DDGD	
CCCN1CCC[C@H]1C(=O)NNC(=O)c1ccccc1Cl	1318113188	JCSZKAFDTAHADG-ZDUSSCGKSA-N	309.797	1.975	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H](C)c2ccc(F)cc2F)nc1O	1318764313	IAJQSHXJXHJMFW-ZCFIWIBFSA-N	309.276	1.411	50	20	DDGD	
COc1ccccc1-n1c(C)cc(C=NNC(=O)C(N)=O)c1C	1328384090	DTELCOXCPVWZEP-UHFFFAOYSA-N	314.345	1.038	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cnc(C(C)C)[nH]1	1328085641	GTWIHMNUPUXIDF-UHFFFAOYSA-N	313.427	1.021	50	20	DDGD	
Cc1cccc2[nH]cc(CC(=O)NNC(=S)NC(C)C)c12	1322469198	OIBOYYBHGVBTIA-UHFFFAOYSA-N	304.419	1.923	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CC(C)(C)CC[C@H]2CO)cn1	1336635257	UVKBSBFBEBEKMI-XMRSSTEGSA-N	302.378	1.337	50	20	DDGD	
O=C(NNc1cncc(Br)c1)C1(O)CCCC1	1335935426	SXYURIPRZSOKEI-UHFFFAOYSA-N	300.156	1.592	50	20	DDGD	
N[C@H]1C[C@@H](CNC(=O)NNC(=O)c2ccc(Cl)cc2F)C1	1331439496	SLYASLJEPOYCMX-OTSSQURYSA-N	314.748	1.160	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=C1Cc2[nH]c3ccccc3c2C1	1347621714	FBKPVACZMOQCBD-UHFFFAOYSA-O	305.361	1.726	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](C(=O)NNc2ccc(C(F)(F)F)nn2)C1	1346932193	DFXCIVZQSRJOAW-KNVOCYPGSA-N	318.255	1.138	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCCC(=O)OC(C)(C)C	1349432130	DZCZJLSHFSWTFE-QWRGUYRKSA-N	314.382	1.071	50	20	DDGD	
Cn1ccc(NNC(=O)c2ccnc(OCC(F)(F)F)c2)n1	1345196798	GGWNKBPHVIOSCS-UHFFFAOYSA-N	315.255	1.513	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](C(=O)NNC(=O)c2ccccc2Cl)C1	1353255127	QUJVYGBLMKKLDH-DTORHVGOSA-N	310.737	1.300	50	20	DDGD	
O=C(O)C1=NO[C@H](C(=O)NNc2cc(Cl)ccc2F)C1	1605970111	LVZFVEXDBHPQHM-VIFPVBQESA-N	301.661	1.152	50	20	DDGD	
Cc1noc(CCC(=O)NNc2cccc(F)c2C(=O)O)n1	1600811877	MPQPACBMZGOMMW-UHFFFAOYSA-N	308.269	1.291	50	20	DDGD	
O=c1[nH]ccc2cc(NNC(=O)[C@H]3C[C@@H](C(=O)O)C3)ccc12	1609050233	VOMZQCSMTJNTJK-AOOOYVTPSA-N	301.302	1.082	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1cc(-c2nn[nH]n2)ccc1F	1603059622	DODYLDKLKMQRPA-UHFFFAOYSA-N	321.316	1.205	50	20	DDGD	
O=C(NN[C@H](C(=O)O)c1ccccc1Cl)[C@@H]1CCCCO1	1601557158	GPKSDOYPURHNOX-RYUDHWBXSA-N	312.753	1.656	50	20	DDGD	
C[C@H](CC=NNC(=O)c1cnn(-c2ccccc2)c1)C(=O)O	1604130381	TZAVPPVLAQYSIX-LLVKDONJSA-N	300.318	1.699	50	20	DDGD	
O=C(NCc1ccccc1)NNC(=O)[C@H]1CC[C@H](C(=O)O)CC1	1601542205	FGNAAPSVQXIHHV-JOCQHMNTSA-N	319.361	1.408	50	20	DDGD	
CC(C)CN(CCC(=O)O)C(=O)/C(C#N)=C/c1cnn(C)c1	1603809208	LIZMWAPOXHSPLG-AWNIVKPZSA-N	304.350	1.286	50	20	DDGD	
Cn1cc(C(=O)NN=C2CCC(CC(=O)O)CC2)ccc1=O	1600930847	SRAIMVHWSUQFHB-UHFFFAOYSA-N	305.334	1.136	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H]2CCO[C@H]2C(=O)O)cc1F	1600461148	FSGQFUFPKIXOOB-BXKDBHETSA-N	311.313	1.250	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1sccc1C	1549319360	UMLMAXIAZADKOV-QWHCGFSZSA-N	307.419	1.760	50	20	DDGD	
COCC(=NNC(=O)[C@H]1CCCO[C@H]1c1ccnn1C)C1CC1	1549314036	AUYJCTVERBGZPH-SWLSCSKDSA-N	320.393	1.416	50	20	DDGD	
CCCNNC(=O)c1cnc(I)c(O)c1	1577574714	OWWRMPBZNIXYPK-UHFFFAOYSA-N	321.118	1.036	50	20	DDGD	
COc1cnc(NC(=O)NNc2ncccc2C(=O)O)s1	1574237759	AYECLWWPZCKIGJ-UHFFFAOYSA-N	309.307	1.394	50	20	DDGD	
C[C@@H]1CC2(CCNCC2)CN1C(=O)/C(C#N)=C\c1cnn(C)c1	1576639071	XKPVEVNNDBQLTA-QVYJARAXSA-N	313.405	1.318	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](F)[C@@H]2CCNC2)c1F	1578877556	BPRJQCFBSJKJAZ-KCJUWKMLSA-N	313.304	1.003	50	20	DDGD	
CC(C)(C)C(=O)NN=Cc1c[nH]c2cccc(-c3nn[nH]n3)c12	1589084419	OGTSGLVNTHCFDO-UHFFFAOYSA-N	311.349	1.844	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H](C)COC)C1	1841663741	KIAZOPZOYUCWGG-NEPJUHHUSA-N	316.829	1.490	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2ccon2)C1	1842540174	ORQVWUBGFHGEPN-SNVBAGLBSA-N	311.769	1.509	50	20	DDGD	
CCc1nc(CC(=O)NNc2ccc(C(=O)O)cn2)cs1	1597662849	MGOUQCMIFPATCB-UHFFFAOYSA-N	306.347	1.485	50	20	DDGD	
Cc1ccc(NC(=O)NNc2ccc(-c3nn[nH]n3)cn2)nc1	1592179631	FDKNPDJEVLBXFS-UHFFFAOYSA-N	311.309	1.114	50	20	DDGD	
CC(C)NCCC(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1842993935	GRLXJWLZEUXIPN-GFCCVEGCSA-N	319.808	1.112	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)cc(C)c1C(=O)NNc1ncccn1	1591838163	BYHXMCVKSSKRGX-UHFFFAOYSA-N	310.321	1.030	50	20	DDGD	
C[C@]1(C(=O)NCc2ccnc(C(=O)O)c2)C[C@H]1Br	1593756385	ORQKQLKSNSTFBD-SKDRFNHKSA-N	313.151	1.570	50	20	DDGD	
C[C@@](O)(C(=O)NNc1cccc(C(=O)O)c1)c1ccc(F)cc1	1593375796	MRRBTHFJERQCKG-INIZCTEOSA-N	318.304	1.875	50	20	DDGD	
Cc1c(C(=O)NNc2ccc(C(=O)O)cn2)nnn1C(C)C	1599982449	UQGFLJZYDCSBCB-UHFFFAOYSA-N	304.310	1.018	50	20	DDGD	
COc1ccc(C(=O)NNc2ncccc2C(=O)O)c(O)c1	1594078537	HOSJWOYTXNUIGY-UHFFFAOYSA-N	303.274	1.251	50	20	DDGD	
N#Cc1ccccc1/C=C/C(=O)NNc1ncccc1C(=O)O	1594628825	RAMAFUZDSQEVJO-BQYQJAHWSA-N	308.297	1.808	50	20	DDGD	
CC(=NNC(=O)c1nc[nH]c2ncnc1-2)c1ccccc1C(=O)O	1776105083	NYQKDGUBNCVRDI-UHFFFAOYSA-N	324.300	1.157	50	20	DDGD	
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NNC(=O)C1CC1	15426932	ZAHZFQUWAPBCSI-OAHLLOKOSA-N	313.357	1.508	50	20	DDGD	
CNS(=O)(=O)c1cc(C(=O)NNc2cc(C)cc(C)c2)co1	161109996	DHEMPVWSEWMHQQ-UHFFFAOYSA-N	323.374	1.561	50	20	DDGD	
CC(C)n1nccc1C(=O)NNc1nc(-c2ccncc2)no1	160298195	FFDCIKOOLCPCEK-UHFFFAOYSA-N	313.321	1.666	50	20	DDGD	
O=C(CCOC[C@@H]1CCCO1)NNc1cnc2ccccc2n1	163525477	QIBXKLPFKYXYPD-LBPRGKRZSA-N	316.361	1.659	50	20	DDGD	
CCCC1CCC(NC(=O)NNC(=O)C(=O)N2CCCC2)CC1	155118576	CKBFPNJWNVGMGV-UHFFFAOYSA-N	324.425	1.298	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)C(C2CC2)C2CC2)C[C@@H](C)O1	156182596	UVJILZKQLRNIMJ-TXEJJXNPSA-N	323.437	1.069	50	20	DDGD	
COC(=O)[C@@H](NS(=O)(=O)c1ccc(CCl)cc1)C(C)C	380330391	WLLUZUMOTLKWHO-LBPRGKRZSA-N	319.810	1.901	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCN(CC)C(C)C)cc1	102573327	OPKCKHYBGCHKPE-UHFFFAOYSA-N	320.437	1.923	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCO[C@H](c2ccc(F)cc2)C1	171770016	TUAIZKYZNVUXGA-ZDUSSCGKSA-N	323.368	1.986	50	20	DDGD	
O=C(Cc1ccc2c(c1)OCCO2)NNc1ccc(Cl)nn1	118499644	MLAMBMVOVSOAIA-UHFFFAOYSA-N	320.736	1.587	50	20	DDGD	
O=C(CN(Cc1ccccc1)CC1CCC1)NNC(=O)C1CC1	112977702	GKPTZVGVSZKFSM-UHFFFAOYSA-N	315.417	1.846	50	20	DDGD	
C#CCOc1ccc(C(=O)NNc2ncnc3nc[nH]c23)cc1	173940610	LKDJICPSCNSYFS-UHFFFAOYSA-N	308.301	1.122	50	20	DDGD	
CCc1ccccc1OCC(=O)NNc1nc(C)cc(OC)n1	174481944	CXMLGWCWXGUIBB-UHFFFAOYSA-N	316.361	1.878	50	20	DDGD	
CCC(CC)n1nc(C)cc1C(=O)NNC(=O)c1ccc[nH]1	179592697	VSKDOYFFJWXVDP-UHFFFAOYSA-N	303.366	1.956	50	20	DDGD	
O=C(NNC(=O)c1ccc(O)c(Cl)c1)Nc1ccncc1	114777993	RZEWDQPTQSIHSP-UHFFFAOYSA-N	306.709	1.907	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCC[C@H]1C[C@@H]2CC[C@@H]1C2	177464185	DMGUUKZWQXCXGI-KFWWJZLASA-N	316.405	1.781	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)C3(O)CCC3)cc2C1	119544604	ACOSSEOFBCWROO-SECBINFHSA-N	308.403	1.549	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCCc1nc(CCC)no1	64882734	QJNMQNKEGUYOBP-UHFFFAOYSA-N	311.386	1.475	50	20	DDGD	
CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)CCl	111001051	KZXNDCJLXHWRDY-UHFFFAOYSA-N	318.826	1.481	50	20	DDGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)CC(N)=O)c(C)n1CC(C)C	63749008	FECFSYFGPGLNQJ-CHHVJCJISA-N	316.405	1.612	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCc2ccco2)cc1	72507506	JIHZRWLNXJAOHJ-UHFFFAOYSA-N	302.330	1.747	50	20	DDGD	
O=S(=O)(CBr)NCC1(O)CCCCCC1	127504445	ROSGCJDNMUBGRR-UHFFFAOYSA-N	300.218	1.344	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(F)c(F)c(F)c1	124807509	KOKPXVQORHTJFV-LURJTMIESA-N	317.267	1.236	50	20	DDGD	
COCCCCC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	122143616	FHRUCVOCLBVCMD-NSHDSACASA-N	312.341	1.557	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc[nH]2)c(Cl)c1	123208274	DUSNBHXZOAGKHI-UHFFFAOYSA-N	320.736	1.376	50	20	DDGD	
CCCNC(=O)CCNC(=O)NNC(=O)c1ccc(CC)cc1	79767183	NBWSRPFCPGDKLA-UHFFFAOYSA-N	320.393	1.109	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)C[C@@H]1C=CCCC1	188401679	RLAYRYBWHCUQDP-CYBMUJFWSA-N	312.373	1.771	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](C)c1ccccc1	184310005	MZKVBTWSSFBUDL-NSHDSACASA-N	305.378	1.242	50	20	DDGD	
CCNC(=O)C(C)(C)CNC(=O)NNc1cc(Cl)ccn1	181576892	TWEASVPCRZZOEP-UHFFFAOYSA-N	313.789	1.523	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CCN2CCCC[C@H]12	47106013	LNEQEXZXGRZWJU-HUUCEWRRSA-N	316.405	1.566	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccccc1-c1nncn1C(C)C	181979016	DJDZIKWQPJXHIS-UHFFFAOYSA-N	302.338	1.699	50	20	DDGD	
O=C1CCCC[C@H](C(=O)NNc2ncnc3ccsc23)N1	194357814	RMKFVRSVQIMYJG-SECBINFHSA-N	305.363	1.193	50	20	DDGD	
CSc1cc(C(=O)NNC(=O)Cc2ccncc2)ccn1	81028279	LOGGKMGRUXUGDA-UHFFFAOYSA-N	302.359	1.202	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)c1ccc[nH]1	192899630	FGOICZCWBRWZNL-ZDUSSCGKSA-N	316.292	1.108	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1ccc2c(c1)C(=O)NC2=O	85681695	TWOUSMSTHAHRHF-UHFFFAOYSA-N	316.704	1.376	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc2c(C)nn(C)c2nc1C	138570323	JGMSIVSIYAMREX-UHFFFAOYSA-N	318.381	1.329	50	20	DDGD	
COc1csc(C(=O)NNC(=O)CNc2ccc(C)cc2)c1	80064017	BSQYDMMFHRXNHH-UHFFFAOYSA-N	319.386	1.938	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C[C@@H](O)c2cccc(F)c2)n1	89301604	MZUXYHOCZLSLFR-GFCCVEGCSA-N	320.324	1.500	50	20	DDGD	
Cc1ccnc(NNC(=O)c2cccc(CS(C)(=O)=O)c2)c1	88423438	TXHBGACRZWPOAQ-UHFFFAOYSA-N	319.386	1.692	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2ccc(Cl)cc2)n1	42861312	UNFMHILZIGKDJN-UHFFFAOYSA-N	307.741	1.965	50	20	DDGD	
C[C@H](CC1CCCCC1)NC(=O)NNC(=O)C(=O)N1CCCC1	194610185	CZDVTYVATHVPKE-GFCCVEGCSA-N	324.425	1.298	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@H](C)Cn2cccn2)o1	84153556	CGSMYQSUIFQYHS-SNVBAGLBSA-N	305.338	1.065	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)c2ccccc2O)ccc1C	192910569	ONWYATHAIVNZAJ-UHFFFAOYSA-N	312.325	1.978	50	20	DDGD	
O=C(Cc1ccsc1)NNC(=O)c1cccc([N+](=O)[O-])c1	143621624	JRGQYWSTXCSSQT-UHFFFAOYSA-N	305.315	1.660	50	20	DDGD	
Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)c3ccc[nH]3)cc2)n1	96950798	YYLMMTFTEJKOLH-UHFFFAOYSA-N	323.356	1.892	50	20	DDGD	
Cn1c(=NNC(=O)CNCC(F)(F)F)sc2ccccc21	255307469	SHMXQBBRUSXJAQ-UHFFFAOYSA-N	318.324	1.324	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H](C)C2CCOCC2)n1	268593751	UZZJAZNHGMPQAQ-JTQLQIEISA-N	309.370	1.235	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)NC2CCC2)cc1C	265828404	RPVIYNRWOBIMNV-UHFFFAOYSA-N	304.350	1.125	50	20	DDGD	
CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NNC(=O)c1ccccc1O	265916936	CMBDTUWNYBFVGR-RTXFEEFZSA-N	319.361	1.150	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)COCc1ccccc1)N(CC)CC	265601012	IGHXQYYQOBMXOY-OAHLLOKOSA-N	321.421	1.471	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)C[C@H]1CSCCS1	269689734	IVGLEDGUMXKPMP-NSHDSACASA-N	310.444	1.995	50	20	DDGD	
O=C(NCc1ccc(-n2cccn2)cc1)NNC(=O)C1CCC1	264702428	HDMZBCZYUYPXCG-UHFFFAOYSA-N	313.361	1.503	50	20	DDGD	
C[C@H]1Cc2cc(S(=O)(=O)NNC(=O)C3CCC3)ccc2O1	264691538	CGBVGHVLXWQSSS-VIFPVBQESA-N	310.375	1.120	50	20	DDGD	
CCCN1CCCN(CCI)CC1=O	365233522	VNTIUQZULBOKKH-UHFFFAOYSA-N	310.179	1.366	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCCOc1ccc(C(C)=O)cc1	271241134	AIFKHFUIYSZSLE-UHFFFAOYSA-N	321.377	1.741	50	20	DDGD	
CC[C@H](C)Oc1cc(C(=O)NNC(=O)NCCCOC)ccn1	271929313	HJDHTTZDXYBANQ-NSHDSACASA-N	324.381	1.239	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)Nc1cc(F)cc(Cl)c1	274091457	NIOWCLLJSZFJLQ-UHFFFAOYSA-N	313.716	1.365	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@H]2C[C@@]23CCOC3)n1	363801692	LIGFGOBHMOUQBQ-IAQYHMDHSA-N	305.382	1.193	50	20	DDGD	
Cc1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)C1CCC1	274148676	YNIJEHQDSSIJMY-UHFFFAOYSA-N	309.753	1.534	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1ccccc1OC(F)F	275507722	SDYBVZMNFLKCMZ-UHFFFAOYSA-N	323.321	1.143	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCCCS2)cc1	273036495	ZTFQHBMDULXMPT-CYBMUJFWSA-N	308.403	1.807	50	20	DDGD	
COc1ccc(NNC(=O)c2csc(NC3CC3)n2)nc1	275664331	VNIQDFVMMSHDOB-UHFFFAOYSA-N	305.363	1.878	50	20	DDGD	
CCCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)OC	274331081	ZWASTVWQQBSYLC-UHFFFAOYSA-N	318.333	1.662	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@@H]1OCCc2ccccc21	281405825	YVFDSFNXVWXOGV-SNVBAGLBSA-N	317.267	1.193	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCCC1(O)CCC1	284559706	DYTBGXIUHCSRFU-UHFFFAOYSA-N	309.341	1.004	50	20	DDGD	
COc1ccc(F)c2[nH]c(C(=O)NNC(=O)NC3CC3)cc12	280578461	MGGMGUKXKAFJFT-UHFFFAOYSA-N	306.297	1.422	50	20	DDGD	
COCCN(C)NC(=O)CS[C@H](C)c1nc2ccccc2[nH]1	288320973	DDHYPNKMTGZYDA-LLVKDONJSA-N	322.434	1.967	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1ccc(N2CCCC2)nc1	286138636	BWRMTOLHBGNRSK-UHFFFAOYSA-N	301.325	1.973	50	20	DDGD	
COCCN(C)NC(=O)CCCc1nc(O)c2ccccc2n1	288360063	GWEOQLBGWULTSX-UHFFFAOYSA-N	318.377	1.268	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F	293562564	GFTURGCYEZJGKA-UHFFFAOYSA-N	321.211	1.957	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](N)c2ccccc2C)n1	295144312	IZWFMSPLMHRWTF-ZDUSSCGKSA-N	301.350	1.245	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC2(CN(C)C2)C1	807937062	WXTWPFGUQMZMEK-UHFFFAOYSA-N	310.829	1.516	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1c[nH]c2ncccc12	804957347	HRTIQVXFCCMHDE-UHFFFAOYSA-N	320.316	1.296	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(F)ccc1Cl	292921565	DJCNYSJUBNASBH-UHFFFAOYSA-N	321.830	1.951	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@]23CC[C@@H](CC2=O)C3(C)C)n1	295117598	WYUOYNVDYLXDSD-BJOHPYRUSA-N	304.350	1.324	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1	298320578	ZVSMOLRXGHPYRF-SNVBAGLBSA-N	323.349	1.184	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1c[nH]nc1-c1ccncc1	299216560	IXZCBCGPAFDELO-UHFFFAOYSA-N	303.322	1.641	50	20	DDGD	
Cc1cc(Br)oc1C(=O)NNC(=O)CC1CC1	294001850	AOCWEXCBZGUAML-UHFFFAOYSA-N	301.140	1.912	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	802004268	LAVMGNUUGCFFCU-NSHDSACASA-N	301.293	1.933	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CNC(=O)CC(C)(C)C)cc1	299029553	ANQNUJSHWKURGF-UHFFFAOYSA-N	319.405	1.562	50	20	DDGD	
O=C(NNC(=O)c1ccc(F)nc1)Nc1cc(F)cc(F)c1	802002361	LVVBHNIQTXZEHR-UHFFFAOYSA-N	310.235	1.965	50	20	DDGD	
COc1ccc(NNC(=O)Nc2nc([C@@H](C)OC)ns2)nc1	809929128	PAEDQTZABXHTEP-SSDOTTSWSA-N	324.366	1.798	50	20	DDGD	
O=C(CCCNC(=O)NNc1cccc(Cl)n1)NC1CC1	292344697	AGBROVLPRWCVMX-UHFFFAOYSA-N	311.773	1.420	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ccnc3c2ncn3C)n1	806932704	KKUSYQPAQQWPAV-UHFFFAOYSA-N	317.740	1.477	50	20	DDGD	
CCOc1ccc(CCC(=O)NNC(=O)c2ccnnc2)cc1	817693855	OPKPFSFTKQUIOW-UHFFFAOYSA-N	314.345	1.269	50	20	DDGD	
COCCOCc1ccc(C(=O)NNc2cc(C)ncn2)cc1	812509474	GZZUVSJFOJJYEX-UHFFFAOYSA-N	316.361	1.705	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccc(Cl)cc1F)c1ccccn1	813362660	GKINRQYKFALKES-GFCCVEGCSA-N	323.711	1.369	50	20	DDGD	
COc1ccc(C(=O)CCC(=O)NNc2cnnn2C)cc1F	816770255	PJAHWKWUKMSVRM-UHFFFAOYSA-N	321.312	1.069	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ncc(OC)cn1)c1ccccc1	815551552	YGSCNPCOBUHPFF-ZDUSSCGKSA-N	314.345	1.440	50	20	DDGD	
C[C@H]1CC(=NNC(=O)C(=O)Nc2ccccn2)CC[C@H]1C(=O)O	814869445	JTWRCGWFWDQGQZ-GXSJLCMTSA-N	318.333	1.013	50	20	DDGD	
CSCc1cnc(C=NNC(=O)N2CCN(C)CC2)s1	814913834	WWVQNSUAKVKZCS-UHFFFAOYSA-N	313.452	1.297	50	20	DDGD	
CCC(=NNC(=O)CN1CCCC1=O)c1ccc(F)cc1F	814760836	INVXIPIUQHBBRI-UHFFFAOYSA-N	309.316	1.818	50	20	DDGD	
CC(C)(CC(=O)NNC(=O)CC1CC1)NC(=O)OC(C)(C)C	819104816	RWIQWFRVAFVLCP-UHFFFAOYSA-N	313.398	1.627	50	20	DDGD	
COc1ccc(NC(=O)NN=Cc2c(Cl)nc(N)n2C)cc1	814999719	LMMIKEKACSJMQN-UHFFFAOYSA-N	322.756	1.820	50	20	DDGD	
COCCCOCC(=O)NNc1cc(Cl)nc(Cl)c1	819747781	WLSXYGWOJBRXRS-UHFFFAOYSA-N	308.165	1.885	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)C[C@@H](C)COC1CCCC1	815033895	WVXCRDAVSDBOBF-NSHDSACASA-N	321.443	1.077	50	20	DDGD	
CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)NNC(=O)C(C)(C)C	729520825	SXIBBODYGSPDPY-JTQLQIEISA-N	314.430	1.302	50	20	DDGD	
C[C@@H]1SCCC1=NNC(=O)c1ccc(-n2cnnn2)cc1	814756516	PBQPITMQALIDEA-VIFPVBQESA-N	302.363	1.274	50	20	DDGD	
C=CCOCC(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1	729299292	NXHRINKQYOEXHN-UHFFFAOYSA-N	322.361	1.446	50	20	DDGD	
Cc1ccc(NNC(=O)c2ccc(-c3nn[nH]n3)s2)cc1	826291854	ZAEGVHCLAODGRL-UHFFFAOYSA-N	300.347	1.994	50	20	DDGD	
CN(C)[C@@H](CNS(=O)(=O)CCCCl)c1cccc(F)c1	726867008	WUUUMKCDXRDXAI-ZDUSSCGKSA-N	322.833	1.977	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NN=c2sc3ccccc3n2C)CO1	827607952	UKKOGFYWFLTTLQ-ZJUUUORDSA-N	306.391	1.532	50	20	DDGD	
COC(=O)NCCNC(=O)NNc1ccccc1C(F)(F)F	495980044	OYIWIMFKGIFKJI-UHFFFAOYSA-N	320.271	1.688	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CNC(=O)OC(C)(C)C	496758707	ONITTZBPLFDYPW-UHFFFAOYSA-N	309.370	1.568	50	20	DDGD	
COc1cc(O)ncc1C(=O)NNCC(F)(F)C(F)(F)F	827493847	XMDOFRNIQKFZOR-UHFFFAOYSA-N	315.198	1.228	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)/C=C/[C@@H]2CCOC2)c(F)c1	493594788	HLDZFQWHELXPET-JYBNPQIESA-N	308.309	1.648	50	20	DDGD	
CO[C@H](CNC(=O)/C(C#N)=C\c1cnn(C)c1)Cc1ccccc1	491102847	JFMKDHHPQKWTBL-KZRVJCNKSA-N	324.384	1.701	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(-c2cccc(Cl)c2)no1	823964489	ATSIDXRLLGYULB-VIFPVBQESA-N	309.753	1.952	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@@H](C)N(C)C	822490975	UUNSJMNMMRCIEI-ZJUUUORDSA-N	313.785	1.205	50	20	DDGD	
COC(=O)[C@H]1CC[C@H](C(=O)NN(C)C(=O)OC(C)(C)C)CC1	496567675	SVSLUSBKMMEIOR-XYPYZODXSA-N	314.382	1.864	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NNc1nc2ccccn2n1	491085102	PRPYPEZOLZNYFU-XFXZXTDPSA-N	322.303	1.919	50	20	DDGD	
CCN(CCO)NC(=O)CCc1nc(C)c(-c2ccccc2)o1	823856517	UFPKUICKPVKPSE-UHFFFAOYSA-N	317.389	1.928	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1C[C@@H](C(F)(F)F)CC[C@H]1C	828756347	WAYYONMHAQEGIL-ZJUUUORDSA-N	309.332	1.453	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCC2(CCCCCC2)C1	584960463	KZPDMJOPJRGRCX-UHFFFAOYSA-N	319.185	1.692	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CSCc1ccc(Cl)cc1	823988080	PHKVMGYOIDGWDR-JTQLQIEISA-N	302.827	1.917	50	20	DDGD	
CC(=O)N[C@H](CCC(C)C)C(=O)NNc1nc(C)cc(C)n1	820523406	KFFHGLBXXDFGRI-CYBMUJFWSA-N	307.398	1.477	50	20	DDGD	
Cc1nn(C)c2ncc(C=NNC(=O)c3cccc(C#N)c3)cc12	728781680	TURLDRCYTQXUAX-UHFFFAOYSA-N	318.340	1.912	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)/C=C/[C@@H]1CCOC1	493814384	DOOLBZCORACEDS-JYBNPQIESA-N	324.764	1.702	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C	492329041	PNJLPTGIQGSQLJ-GHMZBOCLSA-N	313.398	1.435	50	20	DDGD	
O=C(/C=C\[C@H]1CCOC1)NNC(=O)CCOc1ccccc1	492954884	IRTSETSVMSJBEN-FWWRYZNZSA-N	304.346	1.196	50	20	DDGD	
CCCSCC(C)=NNC(=O)Cc1cc(O)nc(S)n1	901164841	SSZUJWLQHLCLQN-UHFFFAOYSA-N	314.436	1.649	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@@H]1[C@H]2CCC[C@H]21	826445496	WSNGWOBLWIIQNE-VROVMSAKSA-N	319.756	1.404	50	20	DDGD	
CC(=O)N[C@@H](CCC(C)C)C(=O)NNC(=O)NC1CCCC1	824343279	XBLCVEINWRWDMF-ZDUSSCGKSA-N	312.414	1.200	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc2c(c1)nc(O)n2C1CC1	823906824	DBBSJXIBSOQDDB-VIFPVBQESA-N	304.350	1.034	50	20	DDGD	
CCS(=O)(=O)CCCNC(=O)/C(C#N)=C\c1ccc(F)cc1	490972901	KXJIGBPYFWHNPQ-RAXLEYEMSA-N	324.377	1.674	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cnn(-c2ccc(Cl)cc2)c1	823970333	FGGKUGRFMBVPHY-JTQLQIEISA-N	308.769	1.483	50	20	DDGD	
CC(C)(C)OC(=O)NCC1(C(=O)N2CC=C(C#N)CC2)CC1	495311627	HNQYCWXFRUOINJ-UHFFFAOYSA-N	305.378	1.974	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)Cc2ccc(F)cc2)CCOC1	733353072	YEDYHJLEUWMPGP-OAHLLOKOSA-N	309.341	1.125	50	20	DDGD	
C[C@H](C#N)C(=O)NNc1ccccc1S(=O)(=O)NC(C)(C)C	736680419	LOJSBCLJOVJFHK-SNVBAGLBSA-N	324.406	1.366	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1cn(C)nc1C1CC1	901171171	ZPYBJEJAYJKNGL-UHFFFAOYSA-N	312.373	1.999	50	20	DDGD	
C[S@@](=O)Cc1cccc(C(=O)NNc2nccnc2Cl)c1	734261238	GVKWANHTKFUIAP-OAQYLSRUSA-N	324.793	1.765	50	20	DDGD	
C=CCOc1ccc(CC(=O)NNC(=O)[C@H]2CCCCO2)cc1	833236775	VJQUPQBPEFCHRH-OAHLLOKOSA-N	318.373	1.510	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1	838602842	XNZKWTMGXIPCQL-AULYBMBSSA-N	309.341	1.439	50	20	DDGD	
CCOCC(=O)NNC(=S)Nc1ccc(OC(C)C)cc1	731161201	PDWMEGHYCUMNRR-UHFFFAOYSA-N	311.407	1.828	50	20	DDGD	
C=CCCOCC(=O)NNc1ccc(Br)nc1	732836565	OZALNYARKAUSNC-UHFFFAOYSA-N	300.156	1.880	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)Nc2cccc(B(O)O)c2)s1	584913513	YKCFWIROARZDDF-UHFFFAOYSA-N	303.192	1.978	50	20	DDGD	
Cc1sc(CNCc2ccc(B(O)O)cc2)nc1C(C)C	585020382	VCWNDTQXXLNFBX-UHFFFAOYSA-N	304.224	1.545	50	20	DDGD	
CCn1nc(C)c(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1C	831605565	GJQQMAMGQKOLKJ-MNOVXSKESA-N	309.370	1.098	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)c1cnn(-c2ccccc2)c1)C1CC1	733110348	JUDCKTIYXVXOGL-FMIVXFBMSA-N	310.357	1.990	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc(OC[C@@H]2CCCO2)cc1	732141467	RGALBIQKJWVUGY-HNNXBMFYSA-N	318.373	1.806	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cnc(NC3CC3)s2)n1	907891188	CKGWDUJNHIKXTA-UHFFFAOYSA-N	317.374	1.496	50	20	DDGD	
C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NNc1cccc(C(=O)O)c1	833627431	SARSKCQUFYSKAV-IINYFYTJSA-N	318.377	1.494	50	20	DDGD	
OCCC[C@@H](NCc1ccc(B(O)O)cc1F)c1ccccc1	585025269	PTOSBRADTJFFRN-QGZVFWFLSA-N	317.169	1.109	50	20	DDGD	
O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CC[C@@H](B(O)O)C1	585074907	PGKSHFLQFARBMG-MJRJWQSSSA-N	313.084	1.794	50	20	DDGD	
COC1(c2nc(-c3cccc(B(O)O)c3)no2)CCCCC1	585053671	OBFFRSVIEJIXRP-UHFFFAOYSA-N	302.139	1.222	50	20	DDGD	
COc1cccc(-c2cc(C(=O)N3CC[C@H](B(O)O)C3)on2)c1	585067146	QAVDRCHQLCDFBG-NSHDSACASA-N	316.122	1.039	50	20	DDGD	
Cc1noc(C)c1C=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1	916345031	LNHUWWPCADUIAI-UHFFFAOYSA-N	303.278	1.546	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1	910176853	FMIFBFOZJFZLEH-LLVKDONJSA-N	323.393	1.991	50	20	DDGD	
O=S(=O)(CCl)N1CCC(CCCN2CCOCC2)CC1	831058324	FBESIMFGYMPTLZ-UHFFFAOYSA-N	324.874	1.337	50	20	DDGD	
CCc1ccc(C(=O)NNc2nccn(C)c2=O)cc1[N+](=O)[O-]	747942169	YGKWQVNKTBVTRD-UHFFFAOYSA-N	317.305	1.008	50	20	DDGD	
CC1(C)[C@H](NC(=O)NNc2cccc(C#N)c2)[C@H]2CCO[C@H]21	741426103	PWNINAKWHCJGGB-MGPQQGTHSA-N	300.362	1.998	50	20	DDGD	
COc1ccc2cc(C(=O)NN(C)C[C@@H](C)O)c(C)nc2c1	910179292	JLNNLBFYNAJKHJ-SNVBAGLBSA-N	303.362	1.509	50	20	DDGD	
COc1ccc(Cl)cc1NCCC(=O)NN(C)C[C@H](C)O	910168622	PKZLDBNDMTYZBG-JTQLQIEISA-N	315.801	1.494	50	20	DDGD	
CCS(=O)(=O)CCNC(=O)NNc1ccc(F)cc1Cl	916529912	NWHUTIXSWYFOSP-UHFFFAOYSA-N	323.777	1.540	50	20	DDGD	
O=C1Nc2cc(O)ccc2C1=NNC(=O)c1ccc(Cl)nc1	915976711	YCPCBOQDACSFKK-UHFFFAOYSA-N	316.704	1.527	50	20	DDGD	
C[C@@H](CCOc1ccccc1)C(=O)NNC(=O)c1ccccn1	744456743	GOUQRUTYVUDGGO-ZDUSSCGKSA-N	313.357	1.948	50	20	DDGD	
Cc1nonc1CC(=O)NNc1ccc(C(F)(F)F)cn1	845955302	LSYQXEZWUVTRGR-UHFFFAOYSA-N	301.228	1.478	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CCc3cnc(C)n3C2)nc1	845989441	IOYZRAGZJMJZIX-NSHDSACASA-N	301.350	1.301	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(Cl)c(F)c1	843661975	PBWLYNCALXSNEV-APPZFPTMSA-N	300.717	1.665	50	20	DDGD	
COc1cccc(C2(C(=O)NN(C)C[C@@H](C)O)CCCC2)c1	910168176	QKFXQVBZJFVHCL-CYBMUJFWSA-N	306.406	1.851	50	20	DDGD	
CC(=NNC(=O)Cn1nc(C)cc1C)c1ccccc1[N+](=O)[O-]	916342933	DPITUPZGHPFPOK-UHFFFAOYSA-N	315.333	1.949	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc(C(=O)OC)c1OC	844774591	JBUPRAPBJPERRC-SECBINFHSA-N	323.349	1.681	50	20	DDGD	
Cc1cccc(OCCCC(=O)NNC(=O)c2ncccn2)c1	841350408	HWGZKCKGOOSSAV-UHFFFAOYSA-N	314.345	1.405	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NCCN2CCCC2=O)c(C)c1	845475324	DLYSULQRWCQCJG-UHFFFAOYSA-N	304.394	1.860	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cc(F)c(F)c(F)c1	748259501	WKVVCDIDZYGTEI-MRVPVSSYSA-N	304.268	1.606	50	20	DDGD	
Cc1ccc(Nc2cccc(C(=O)NN(C)C[C@@H](C)O)c2)nn1	910161999	CIWIJTXFXGESRX-GFCCVEGCSA-N	315.377	1.486	50	20	DDGD	
CC[C@@H]1CCCN1CC(=O)NNC(=O)c1ccccc1Cl	744396895	VMXZHEYUKDKHIB-LLVKDONJSA-N	309.797	1.975	50	20	DDGD	
O=C(NN=Cc1ccc2c(c1)CCO2)[C@H]1COc2ccccc2O1	917534326	GWIDBRMSGLEQPT-QGZVFWFLSA-N	324.336	1.912	50	20	DDGD	
Cc1cc(C(=O)N(C)CC(Cl)Cl)c2c(O)nn(C)c2n1	848081024	JZKIYNHISJLPTM-UHFFFAOYSA-N	317.176	1.858	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)C1CCCC1)N1CCC[C@@H](C)C1	916450495	PWPPVUCYNRVNFQ-OLZOCXBDSA-N	310.442	1.627	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)C1(n2cnnn2)CCCCC1	846252555	ZPULSZVIRGFCTR-UHFFFAOYSA-N	323.307	1.149	50	20	DDGD	
Cc1cc(C)c(CC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(C)c1	843656234	AHLBIHUYJRFMDS-KGLIPLIRSA-N	304.390	1.727	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C1CCN(CCC(F)(F)F)CC1	842560158	FGEWFELYPHZNHI-JQWIXIFHSA-N	321.343	1.932	50	20	DDGD	
C[C@@H]1C[C@@H](CNC(=O)NNc2ncc(F)cc2F)[C@@H](C)O1	840430230	LWMGHADFJWVRLL-HLTSFMKQSA-N	300.309	1.799	50	20	DDGD	
Cc1ccc(F)c2c1NC(=O)C2=NNC(=O)[C@H]1CCO[C@H]1C	842551961	AALWFUUJTOMYMM-IUCAKERBSA-N	305.309	1.332	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H](C)c2ccc(C)o2)c1O	743317794	YTBBYJGCCMYSQT-JTQLQIEISA-N	318.329	1.867	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1nc(F)ccc1Br	847346355	VHKBWGMADJFIGH-UHFFFAOYSA-N	318.146	1.790	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1ncccc1C(F)(F)F	842562995	UGFSGJVWBJZWRJ-RKDXNWHRSA-N	301.268	1.976	50	20	DDGD	
COC[C@](C)(O)C(=O)NNc1ccc(OCC(F)(F)F)cc1	748710117	JCCLBZMJLJWINH-LBPRGKRZSA-N	322.283	1.468	50	20	DDGD	
CCn1ncc(C=NNC(=O)CCCNC(=O)OC(C)(C)C)n1	841631762	KSVUIGWJTPUPFN-UHFFFAOYSA-N	324.385	1.053	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1c(Cl)nc2ccccn12	843973338	KQQFLXGFHDNHLT-RKDXNWHRSA-N	322.752	1.174	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H](C)Oc2ccccc2F)nn1C	841613229	UZVNWCFCQJPCBG-LLVKDONJSA-N	304.325	1.785	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNc3ncc(Cl)cn3)(CC1)C2	857358498	YXLCEBBNFZEXNO-UHFFFAOYSA-N	324.768	1.697	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)cc1	855103070	PXRAXYNOYSEWFZ-VIFPVBQESA-N	305.403	1.797	50	20	DDGD	
O=C(NN=Cc1cccc2[nH]ccc12)[C@@H]1CN2CCC[C@@H]2CO1	853388728	MOEPOKKKRAIQOW-CJNGLKHVSA-N	312.373	1.481	50	20	DDGD	
C[C@@]1(CNC(=O)NCCN2CCCC2=O)C[C@H]1Br	856921114	MNTCTOJJKCZRBE-SKDRFNHKSA-N	318.215	1.082	50	20	DDGD	
O=C(CSCC(F)(F)F)NNc1ncc(Cl)cn1	857357306	OAEPKOISVIDJJO-UHFFFAOYSA-N	300.693	1.869	50	20	DDGD	
CC[C@H](C)CC[C@@H](O)CC(=O)NNC(=S)N[C@@H](C)C1CC1	855097149	KLHBUXZCGJUIEM-GMXVVIOVSA-N	315.483	1.858	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1ccc2c(c1)C[C@H](C)O2	926449863	XHXDQVWQWFKTGL-NSHDSACASA-N	305.378	1.887	50	20	DDGD	
CCn1ncnc1CNC(=O)NC[C@@]1(C)C[C@H]1Br	856854646	OHRIRKXLUVATHS-LDYMZIIASA-N	316.203	1.271	50	20	DDGD	
CC[C@@H](C)CCNC(=O)NNC(=O)Cc1cn2ccccc2n1	852489886	ILMJIPHZBVEZPM-GFCCVEGCSA-N	317.393	1.643	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc2nc(O)oc2c1)C1CC1	855103754	ZEMQVCJTJLCBFF-SSDOTTSWSA-N	320.374	1.441	50	20	DDGD	
O=C(CCn1ccnc1)NNc1ccc(Cl)cc1[N+](=O)[O-]	751336730	NMMDYVUJHAGPHK-UHFFFAOYSA-N	309.713	1.978	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)OCc2noc(C3CCC3)n2)cn1	859709277	OSGMMFNPGDBVNS-XGICHPGQSA-N	313.317	1.721	50	20	DDGD	
Cc1cc(C)n(-c2ccc(NC(=O)NNC(=O)C(C)C)cn2)n1	920930021	DMBFLBLKGLPPBZ-UHFFFAOYSA-N	316.365	1.693	50	20	DDGD	
C[C@H]1COC[C@H]1NC(=O)NNc1ccc2c(=O)[nH]ccc2c1	926016619	PGUNKMFYTVEOMO-TVQRCGJNSA-N	302.334	1.189	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	852276036	YEMXEXBQWGHDGM-GFCCVEGCSA-N	324.425	1.061	50	20	DDGD	
O=C(Cc1ccc([N+](=O)[O-])cc1)NNC(=O)CC(F)(F)F	855001854	KWOJVCCYWNKGAC-UHFFFAOYSA-N	305.212	1.237	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccnc(-c2ccccc2)c1	757807515	HNAJBJDEEPUGSF-UHFFFAOYSA-N	300.318	1.548	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1F	855621107	KFBXAVMZYUHLJT-ZDUSSCGKSA-N	324.312	1.578	50	20	DDGD	
O=C(NN=C1CC(c2cccc(Cl)c2)C1)C(=O)NC1CC1	753924318	RRQCLBRHNHDHNY-UHFFFAOYSA-N	305.765	1.968	50	20	DDGD	
CCn1nc(C)c(C(=O)NC[C@]2(C)C[C@H]2Br)n1	857387390	HPXALVRSXMTOJR-KCJUWKMLSA-N	301.188	1.510	50	20	DDGD	
Cc1cc(=O)n(C)cc1NC(=O)NNC(=O)c1ccccc1F	756893084	SGHGPVBVYIQYGA-UHFFFAOYSA-N	318.308	1.299	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)NS(=O)(=O)CC(C)(C)CCl	867360261	GEKNGCHNEBLYEZ-SNVBAGLBSA-N	307.847	1.536	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)CCc1ccccc1)NC1CCCC1	764912097	XOQFZJMYXWDVPL-AWEZNQCLSA-N	305.378	1.253	50	20	DDGD	
O=C(NNc1cccc(F)c1Cl)[C@H]1CCS(=O)(=O)C1	862506276	REQOULUHORKTQV-ZETCQYMHSA-N	306.746	1.357	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNc2nc(O)c3ccccc3n2)[C@@H]1C	863895826	WSRNRAOZDUCBTI-COMAGPEQSA-N	316.361	1.838	50	20	DDGD	
C[C@@H](c1ccccc1F)[C@H](O)C(=O)NNC(=O)C1CCCC1	864845473	VYZBYCWISBNYAR-HZMBPMFUSA-N	308.353	1.628	50	20	DDGD	
O=C1N[C@H](C(=O)NNc2ccccc2OC(F)(F)F)CCO1	860979611	MABPRLXITKNPHI-QMMMGPOBSA-N	319.239	1.527	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCOC[C@]12CCOC2	867231568	YBZCNZCLFZJHGT-GFCCVEGCSA-N	311.831	1.073	50	20	DDGD	
CCCCOc1ccccc1C=NNC(=O)C(=O)N1CCCC1	767381350	ZLBGVZJDFXYRTG-UHFFFAOYSA-N	317.389	1.938	50	20	DDGD	
C[C@]1(CNC(=O)c2cnc3nccn3c2)C[C@H]1Br	869357261	PSUQFEFDCZITDN-BXKDBHETSA-N	309.167	1.633	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H]1CCn2ccnc2C1	867129224	NXIWQGQXSREEII-SNVBAGLBSA-N	305.831	1.382	50	20	DDGD	
Cc1nnc(-c2cccc(NCc3ccccc3B(O)O)c2)o1	864028012	JCMQZTBKPOXWOA-UHFFFAOYSA-N	309.134	1.337	50	20	DDGD	
Cc1ccn2ncc(C(=O)NN=c3cc[nH]cc3Cl)c2c1	766857571	XVTJEZZMPWEABB-UHFFFAOYSA-N	301.737	1.870	50	20	DDGD	
Cc1cnccc1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	769740399	DFLYWLJBRVGZQJ-NSHDSACASA-N	317.320	1.758	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccc(C2CCCC2)cc1	869903789	IGEBCVHCGPGJKI-UHFFFAOYSA-N	320.389	1.768	50	20	DDGD	
CC1(C)OCc2cc(C=NNC(=O)C(=O)NC3CC3)ccc2O1	766014372	DPTUPHHSZCCPDB-UHFFFAOYSA-N	317.345	1.060	50	20	DDGD	
CCN1CCN(C(=O)Cc2ccc(NC(=O)CCl)cc2)CC1	1116439270	RGBYTTNJQVLCRR-UHFFFAOYSA-N	323.824	1.571	50	20	DDGD	
O=C(NN=Cc1c(F)cccc1N1CCCC1)c1cccnn1	1119358902	KQWJHJJEJHOYKO-UHFFFAOYSA-N	313.336	1.980	50	20	DDGD	
CC(=NNC(=O)C[N+](C)(C)C)c1ccc(Cl)c([N+](=O)[O-])c1	1115813078	MQXOJDAPXONFCD-UHFFFAOYSA-O	313.765	1.795	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2nc3ccccc3s2)CCOC1	874914215	ORMXIRFJPOKBIG-CQSZACIVSA-N	305.359	1.484	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1	878677132	HYVQWQLYMNVZJP-UHFFFAOYSA-N	322.365	1.868	50	20	DDGD	
CCOC(=O)[C@H]1CSCCN1C[C@H](C)CBr	770648652	UJGKPSVKGRZSDI-NXEZZACHSA-N	310.257	1.998	50	20	DDGD	
O=C1CSc2ncc(C(=O)NNc3ccccn3)cc2N1	777473654	HBBXJUOKRPSIFI-UHFFFAOYSA-N	301.331	1.278	50	20	DDGD	
CCOC(=O)N(C)c1ccc(NC(=O)NN(C)CCOC)cc1	878430085	WONJQBUGYFLOFW-UHFFFAOYSA-N	324.381	1.894	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@@H]2CC2(Cl)Cl)n1	779977120	KPDSJVXJBMSMRF-ZETCQYMHSA-N	305.165	1.910	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1ccc([N+](=O)[O-])cc1O	772407784	LMBZEYSKGKDEGV-UHFFFAOYSA-N	320.261	1.038	50	20	DDGD	
COc1ccc(-c2cc(C(=O)NNC(=O)C3CCC3)no2)cc1	878807354	NEJUFZAUMXGXDN-UHFFFAOYSA-N	315.329	1.911	50	20	DDGD	
CCc1ccnc(C(=O)NNC(=O)COc2ccccc2F)c1	774807948	ZFSQLHIVNUVNMK-UHFFFAOYSA-N	317.320	1.623	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc2c(c1)OCCCCO2	872400285	QKTCVYPPDCDEOM-UHFFFAOYSA-N	322.361	1.351	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)C[C@@H](O)c1cccc(F)c1	772643549	CNPMOEZBLPDPOA-CQSZACIVSA-N	317.320	1.034	50	20	DDGD	
Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NNc1ccccn1)C2=O	777471757	WYQXEHMSXALZMJ-LLVKDONJSA-N	324.340	1.518	50	20	DDGD	
COc1nc(C)ccc1C(=O)NNC(=O)NC1CCCCC1	777276776	WQXHEQXTISEMBE-UHFFFAOYSA-N	306.366	1.675	50	20	DDGD	
CC1=NO[C@H](CNC(=O)NNc2cc(F)c(F)c(F)c2)C1	875972570	QUBLSAQGDXWGDN-QMMMGPOBSA-N	302.256	1.895	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccc(C#N)cc1)[C@@H]1CCCOC1	779992402	IPOWYZXGTWUKLO-SMDDNHRTSA-N	316.361	1.317	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1c[nH]c2cc(Cl)ccc12	779817861	WRBPDETYGJQLEN-UHFFFAOYSA-N	308.725	1.627	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)CCO1	776344974	LDOUMBSXJLYWAC-NEPJUHHUSA-N	320.393	1.720	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NCCCF	770543089	FYNROJMBBUTING-VIFPVBQESA-N	317.748	1.797	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H](C(C)C)N1CCCC1=O	772894367	WPJIGIFUOYTPAI-CQSZACIVSA-N	319.409	1.690	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1n[nH]cc1Br	1123642907	XYIKXYAXDNIZRX-UHFFFAOYSA-N	316.546	1.399	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(C(C)C)[nH]n1	772019044	XKYFVXYGYUGROX-JTQLQIEISA-N	324.381	1.272	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](CO)CC(F)(F)F	778587097	OOZZQRWQANJOTL-VIFPVBQESA-N	319.283	1.252	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H]2CCC[C@H]2OC)cc1	1120647180	DSROMVBYZPPQGZ-QWHCGFSZSA-N	307.350	1.663	50	20	DDGD	
CN1CCN(C(=O)NC[C@]2(C)C[C@H]2Br)CC1(C)C	883733707	CYPRDHVDKTUBKN-MFKMUULPSA-N	318.259	1.896	50	20	DDGD	
O=C(CNC(=O)Nc1ccccc1)NNc1ncncc1Cl	781819884	KDKPTUPJQBUAFP-UHFFFAOYSA-N	320.740	1.395	50	20	DDGD	
O=C(NC[C@@H]1CCC[C@@H]1C1CC1)NNC(=O)C1CCOCC1	883689908	XJYOXXFGZQKHFK-UONOGXRCSA-N	309.410	1.570	50	20	DDGD	
Cc1nc(C)c2c(C)c(C=NNC(=O)C(C)(C)O)sc2n1	785465063	AMUBVXQJMDUBPR-UHFFFAOYSA-N	306.391	1.838	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H](C)C[C@@H]2CCOC2)c1	780841443	HMNFQOWPHNYESA-NEPJUHHUSA-N	321.377	1.914	50	20	DDGD	
N#C/C(=C\c1ccccc1)C(=O)OC[C@H]1CCS(=O)(=O)C1	788996963	KAFQVCAUMDLBIQ-SJWLEHQBSA-N	305.355	1.571	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)c1ccc(F)cn1	784584542	GEPKKCCMRNAEAJ-UHFFFAOYSA-N	313.292	1.032	50	20	DDGD	
O=C(NN=CCC1CCOCC1)c1ccc(-n2cnnn2)cc1	788703172	CTMZPAJTYMRFOI-UHFFFAOYSA-N	314.349	1.195	50	20	DDGD	
Cc1ccc(NNC(=O)NCC(C)(C)C2CCOCC2)nn1	897000037	PNUDPVCCGIKDSL-UHFFFAOYSA-N	307.398	1.864	50	20	DDGD	
Cn1cnnc1[C@H]1CCCN1CCI	191019313	LMOAWHRXIDXLFJ-MRVPVSSYSA-N	306.151	1.387	50	20	DDGD	
Cc1nn(C)c(NC(=O)C(=O)NNc2cccc(F)c2)c1C	783040470	SGLPGOUCHQDWBC-UHFFFAOYSA-N	305.313	1.258	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cc2noc(C)c2C#N)c1	781041908	HFEOLCUKNRJUBP-UHFFFAOYSA-N	314.301	1.327	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NC[C@H]1CCCN1CC(F)(F)F	899237454	ZNEBLBWEMUPBNC-ZJRUKIMVSA-N	305.300	1.573	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CCC(=O)NC1CCCC1	899996799	SWIDCUJEGVRLDC-UHFFFAOYSA-N	314.455	1.119	50	20	DDGD	
COCC(=O)NN=C[C@@H](CNC(=O)OC(C)(C)C)C(C)C	794521369	XOMTYPMQTQLJOT-LLVKDONJSA-N	301.387	1.532	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)o1	793625225	OBUKPYPTVZKTLK-NYNCCYJMSA-N	312.369	1.743	50	20	DDGD	
CSSCCNC(=O)C[C@H](NC(N)=O)c1ccccc1	791099727	JCKGKINXKOMXOS-NSHDSACASA-N	313.448	1.914	50	20	DDGD	
COc1cccc(NNC(=O)c2cc(C)ccc2-n2cnnc2)n1	797976096	VXFZMIJJSNQQBD-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
Cc1nn(C)c(C=NNC(=O)NCC2CC2)c1Br	790288081	YFVZFYSZGZPQGK-UHFFFAOYSA-N	314.187	1.534	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC(F)(F)C1)c1ccc2c(c1)OCO2	794868057	QZVMVCAHNPJRPJ-VIFPVBQESA-N	312.272	1.612	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CCCc3nn(C)cc32)cc1	799100051	FHTDINYXNIVPED-ZDUSSCGKSA-N	300.362	1.992	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)c1cccc(N(C)C)c1	792838635	GDMHYJAHHMUXHI-FZMZJTMJSA-N	307.394	1.575	50	20	DDGD	
CC[C@@H](C)C(=O)NN=Cc1ccc(OC)c(OCC(N)=O)c1	1317877156	HYNVBBIPNPQHMV-SNVBAGLBSA-N	307.350	1.056	50	20	DDGD	
Cc1cccc(NNC(=O)Nc2ccnn2C[C@H]2CCOC2)n1	1329977776	GWDJPNAHJLETCE-GFCCVEGCSA-N	316.365	1.772	50	20	DDGD	
Cn1cc(C(=O)NNc2nncc(N)c2Cl)c(C2CCC2)n1	1325867962	CDVCHPGTQDZMEA-UHFFFAOYSA-N	321.772	1.470	50	20	DDGD	
C[C@H](NCC(=O)NNC(=O)C1CC1)c1ccc(Cl)c(F)c1	1320051917	KSDMDDATJTWQOI-QMMMGPOBSA-N	313.760	1.687	50	20	DDGD	
COC(=O)C(=O)NN=C1CC[C@@H](c2ccccc2)C[C@H]1OC	1324474482	WWXWQVUDEYYJDJ-TZMCWYRMSA-N	304.346	1.614	50	20	DDGD	
Nc1cnnc(NNC(=O)NCC[C@@H]2C[C@H]3C=C[C@H]2C3)c1Cl	1329899219	UBEPIAZNTMHJJW-LPEHRKFASA-N	322.800	1.941	50	20	DDGD	
CCCNCCNC(=O)NNC(=O)Cc1ccc(Cl)cc1	1328723568	BQNLITBBVKGCDX-UHFFFAOYSA-N	312.801	1.213	50	20	DDGD	
COC(=O)C(=O)NN=Cc1csc(-c2ccc(C)cc2)n1	1330775449	XJAGOAIGNLLCIC-UHFFFAOYSA-N	303.343	1.742	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccn(-c2cc(F)cc(F)c2)n1	1332738596	JYDUSNKMMMDEEO-UHFFFAOYSA-N	322.315	1.958	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)C2CCOCC2)ccc(F)c1F	1331163349	RRFOONQWTNIGSC-UHFFFAOYSA-N	313.304	1.853	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@@]1(C)CCCS1	1261452993	RNQJAXGGDZACLS-OPQQBVKSSA-N	301.412	1.028	50	20	DDGD	
C[C@]1(CNc2cncc(-c3nn[nH]n3)n2)C[C@@H]1Br	1603808257	UOVOAWZREVXTEE-OIBJUYFYSA-N	310.159	1.242	50	20	DDGD	
O=C(O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)CCCCl	1601868618	KSKOLRRAJCMHEO-LBPRGKRZSA-N	317.794	1.457	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2ccccc2-n2cnnn2)c1	1602450054	GRHMTQCKPAXZRC-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
O=C(COc1ccc(-c2nn[nH]n2)cc1)NN=C1CC2(CC2)C1	1606569071	SQVFAUFPCGHGOH-UHFFFAOYSA-N	312.333	1.292	50	20	DDGD	
Cc1ccc(NNC(=O)Cc2cncc(O)c2)cc1C(=O)O	1600461725	SYNZQMYSTNXCAI-UHFFFAOYSA-N	301.302	1.480	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(C(=O)O)cc2F)c(O)c1	1607206065	CZLYGRFXARJRRO-UHFFFAOYSA-N	320.276	1.995	50	20	DDGD	
O=C(NN[C@@H](Cc1ccc(F)cc1)C(=O)O)c1ccccn1	1601557466	MDWRNBKCIQUSBC-ZDUSSCGKSA-N	303.293	1.151	50	20	DDGD	
Cc1csc(CC(=O)NN=C2C[C@H]3C[C@@H](C(=O)O)[C@H]2C3)n1	1600658522	GJXKMSFBGQUVAY-OPRDCNLKSA-N	307.375	1.597	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1C(=O)NNc1ccc(C(=O)O)c(F)c1	1602772424	XUYQGAVVOAYJLM-DGCLKSJQSA-N	308.309	1.948	50	20	DDGD	
C#CCCCCC(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1602703079	POXFKQXJTFVVCM-UHFFFAOYSA-N	309.391	1.773	50	20	DDGD	
O=C(O)[C@@H](O)C1CCN(C(=O)c2cccc(CCl)c2)CC1	1601681502	BIOQSZUIXXOFDU-ZDUSSCGKSA-N	311.765	1.723	50	20	DDGD	
O=C(O)Cc1ccccc1NC(=O)NNc1ncc(Cl)cn1	1606320772	XPTMWJYAYIZGMN-UHFFFAOYSA-N	321.724	1.906	50	20	DDGD	
CCc1cccnc1C(C)=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549320092	KKWMCQFIZPMNBU-GJZGRUSLSA-N	316.405	1.347	50	20	DDGD	
CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](O)CCl)n[nH]1	1814868639	BBFTUTUQZBLVPD-WDEREUQCSA-N	314.773	1.021	50	20	DDGD	
C=C[C@H](NNC(=O)[C@H](C)Oc1ccc2ccccc2c1)C(=O)O	1588700766	LCONVLFIZGXTIK-NHYWBVRUSA-N	314.341	1.867	50	20	DDGD	
Cn1ncc(CN)c1C(=O)NNc1c(Cl)cccc1Cl	1580000312	ADNDJEFETITRBC-UHFFFAOYSA-N	314.176	1.943	50	20	DDGD	
COc1cc(NC(=O)NNc2ccc(C(=O)O)cc2F)[nH]n1	1599440156	QAIJQCBBFVBBEE-UHFFFAOYSA-N	309.257	1.404	50	20	DDGD	
CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)CBr	1847499414	GODFLNVVDRRFKR-LSJOCFKGSA-N	303.200	1.239	50	20	DDGD	
CCOC(=O)/C(C#N)=C\c1cc(-c2nn[nH]n2)ccc1N(C)C	1590748691	LUPSPLOAJAKFKZ-WQLSENKSSA-N	312.333	1.403	50	20	DDGD	
Nc1c(F)cccc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1592754829	PRIZFHHRNBSYCL-UHFFFAOYSA-N	313.296	1.345	50	20	DDGD	
COc1ncccc1NC(=O)NNc1ccc(CC(=O)O)cc1	1599737501	JTQUWWNREPPOTD-UHFFFAOYSA-N	316.317	1.866	50	20	DDGD	
O=C(C(Cl)Cl)N1CC[C@@]2(C1)CN(C(=O)C1CC1)CCO2	1783953255	YAKILMPPUKRLIF-CYBMUJFWSA-N	321.204	1.030	50	20	DDGD	
Cc1nc(CC(=O)NNC(=S)Nc2ccccn2)c(C)s1	161861834	AOCWIOFOHIDFGV-UHFFFAOYSA-N	321.431	1.715	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NC[C@@]2(C)CCCO2)cc(C#N)n1C	152987911	UVWGHAVHRACRLS-UBWHZCOUSA-N	312.373	1.797	50	20	DDGD	
Cc1cc(C)cc(NC(=O)NNC(=O)C(=O)N2CCCC2)c1	152823038	OCKBYQZXQTZBMC-UHFFFAOYSA-N	304.350	1.079	50	20	DDGD	
O=C(CNC(=O)NC1CCCCC1)NNc1ccccc1F	152978670	NCKRUECHSMJTFT-UHFFFAOYSA-N	308.357	1.901	50	20	DDGD	
COc1cc(CC(=O)NNC(=O)c2cc(C)n[nH]2)ccc1C	153177561	REICLOUIDSGVJG-UHFFFAOYSA-N	302.334	1.039	50	20	DDGD	
O=C(CSCc1cscn1)NNc1nccnc1Cl	153477803	CSGWTMLNARIKPS-UHFFFAOYSA-N	315.811	1.963	50	20	DDGD	
CC(C)(C)C1CCC(CC(=O)NNC(=O)C(=O)NC2CC2)CC1	157460571	ASMCRLQQWJDXHQ-UHFFFAOYSA-N	323.437	1.655	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cccc(-c2ncn[nH]2)c1	156584814	MHPUSAUJTNDGBV-UHFFFAOYSA-N	303.322	1.641	50	20	DDGD	
CCN([C@H]1CCNC1=O)S(=O)(=O)c1ccc(CCl)cc1	915234068	PDJJHNHHSMIEFU-LBPRGKRZSA-N	316.810	1.325	50	20	DDGD	
CN(CCCNS(=O)(=O)CCl)C(=O)OC(C)(C)C	820786710	SJOQKGVXASUYSH-UHFFFAOYSA-N	300.808	1.359	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc(OCCOC)cc1	171686088	JUQDPFOKQIZYCO-KAMYIIQDSA-N	304.346	1.381	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C(=O)NC2CC2)oc2c(C)cccc12	53136176	GHMCCYLSZUARDE-UHFFFAOYSA-N	315.329	1.089	50	20	DDGD	
COc1cccc(CO[C@@H](C)C(=O)NNc2cc(C)ncn2)c1	172273601	OOCRSUAVRQVFAI-LBPRGKRZSA-N	316.361	1.842	50	20	DDGD	
O=C(NNc1c(F)cccc1F)c1n[nH]c(=O)c2ccccc12	118512054	WAEDTAZKWZNMHD-UHFFFAOYSA-N	316.267	1.958	50	20	DDGD	
COc1c(C)cnc(CNC(=O)NNC(=O)CC(C)(C)C)c1C	103181420	VWYCXCOUBNEYAH-UHFFFAOYSA-N	322.409	1.974	50	20	DDGD	
Cc1nn(C)cc1C(=O)NNC(=O)c1cc(Cl)ccc1O	113414429	RSBZYWVXFFKVBL-UHFFFAOYSA-N	308.725	1.162	50	20	DDGD	
CO[C@H](CNC(=O)NNc1ccc(Cl)nn1)C(C)(C)C	174416836	XTVSWJJNXGAYHN-MRVPVSSYSA-N	301.778	1.817	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccnc(N(C)C)c1	67432723	PTFMYBJDOAPXLH-UHFFFAOYSA-N	314.345	1.231	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCCCOCC2CC2)cc1	61855458	SDTCQLRLLZIFFF-UHFFFAOYSA-N	316.361	1.319	50	20	DDGD	
CC[C@@H](C)N(C)CCNC(=O)NNC(=O)CCc1ccccc1	171076303	XNLYZXRUZKKLIL-CQSZACIVSA-N	320.437	1.680	50	20	DDGD	
Cc1cccc(C)c1NC(=O)C(=O)NNc1ccnc(F)c1	119500484	SERJHUYONAOSPJ-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
N#Cc1ncn(CC(=O)NNc2ccc(C(F)(F)F)cc2)n1	178994287	KTJQEUPUXIBWHK-UHFFFAOYSA-N	310.239	1.312	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCc2ccccc2Cl)cn1	117952092	LGWBYNMABZESKX-UHFFFAOYSA-N	307.741	1.218	50	20	DDGD	
CCc1c(C(=O)NNC(=O)NC2CC2)cnn1-c1ccccc1	64900505	SXTGYFCWKCIZDZ-UHFFFAOYSA-N	313.361	1.541	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)C[C@@H]1CCC[C@H]1O	305287035	CZPFUPBWLVBJIR-QWHCGFSZSA-N	313.829	1.972	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNC(=O)c1cccn1C	172971833	MKFGNUNHOGUOAZ-SNVBAGLBSA-N	317.393	1.015	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)c1ccccn1)N1CCCCC1	67284646	GSKVPBXMSQKICD-AWEZNQCLSA-N	304.394	1.353	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1C[C@H]2CCC[C@@H]2C1	120275803	HLBRQVAICSAFIS-VXGBXAGGSA-N	303.362	1.782	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C	65190117	LJEQOCQKQGXXGP-JTQLQIEISA-N	316.402	1.276	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(F)c(O)c(F)c2)n1	186845877	OSDJPCIRGOQUAI-UHFFFAOYSA-N	310.260	1.534	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)C(C)(Cl)Cl)n1	181899994	BEBCTTZZCDRYJP-UHFFFAOYSA-N	306.197	1.960	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2cccc(C#N)c2)CC[C@H]1C	127053997	HVWCWRBNBVIZDP-VXGBXAGGSA-N	300.362	1.891	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)C(C)(C)C)nn1-c1ccc(F)cc1	77219722	NKONIKQXJRNYOB-UHFFFAOYSA-N	319.340	1.522	50	20	DDGD	
CO[C@H](CNC(=O)NNc1cccnn1)c1ccc(F)cc1	74929636	WPWJNGVCFHQREB-GFCCVEGCSA-N	305.313	1.630	50	20	DDGD	
Cc1ccccc1[C@H](C)CC(=O)NNC(=O)Cc1cc[nH]n1	186089164	UXYMYODNPUJJOO-GFCCVEGCSA-N	300.362	1.602	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C(=O)Nc2ccsc2)c1	187858677	XQOBEMPCPQKUGV-UHFFFAOYSA-N	309.322	1.978	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1ccc2c(c1)COC2	183465811	DWTQBWJPKVTMBC-UHFFFAOYSA-N	312.329	1.507	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	185023488	KYGWAMMREUUVKS-UHFFFAOYSA-N	302.330	1.268	50	20	DDGD	
COc1ccc(Cl)cc1CNC(=O)NNc1ncccn1	47131574	VLMROBGDGHUGSQ-UHFFFAOYSA-N	307.741	1.965	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)[C@@H]2CCCO2)c(C)c1	42968814	CERNRWCVQMOVKV-AWEZNQCLSA-N	306.362	1.399	50	20	DDGD	
Cc1noc(CCCC(=O)NNC(=O)c2cccc(Cl)c2)n1	193305885	RQCSXWYSCFKYHY-UHFFFAOYSA-N	322.752	1.815	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2c(C)cccc2F)nc(C)n1	130388666	UZVDVGGLBGDFMW-UHFFFAOYSA-N	317.324	1.623	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC1(Cl)Cl)c1ccc(Cl)nc1	131605171	BASVAZVYRWFSJC-LURJTMIESA-N	308.552	1.690	50	20	DDGD	
Cc1cccc(C)c1OCCNC(=O)NNC(=O)c1ccc[nH]1	193334231	CVSMZRVUTFSOFZ-UHFFFAOYSA-N	316.361	1.655	50	20	DDGD	
CO[C@@](C)(C(=O)NNc1cc(C)ncn1)c1ccccc1F	192351707	FKXVFNCDZQENLK-OAHLLOKOSA-N	304.325	1.929	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)Cc2ccc(F)cc2F)n1	133928602	CSEFGSDUZNKASF-UHFFFAOYSA-N	313.695	1.676	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)CO)c1C	192744087	ZUDQRGXDMIQFLE-OXFWXOROSA-N	305.378	1.155	50	20	DDGD	
O=C(COc1ccccc1Cl)NNC(=O)Cc1ccncc1	81026393	SAIMKBUBCHTBOL-UHFFFAOYSA-N	319.748	1.504	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(C)c([N+](=O)[O-])c2)o1	84284899	LPFAAPGJJJONTR-UHFFFAOYSA-N	303.274	1.879	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc3c(s2)CCCC3)[nH]n1	194227639	TUSXZXBNSZHATQ-UHFFFAOYSA-N	304.375	1.733	50	20	DDGD	
Cc1cnc(NC(=O)NNC(=O)c2ccc(C#N)cc2)s1	143148553	XSLRYWPYNYZCIT-UHFFFAOYSA-N	301.331	1.790	50	20	DDGD	
CO[C@@H]1CCCN(C(=O)NNC(=O)c2ccc(C#N)cc2)C1	94031818	ZNBOOSPWELMYLP-CYBMUJFWSA-N	302.334	1.023	50	20	DDGD	
C=CCNC(=S)NNC(=O)/C=C(/C)c1ccccc1OC	255833858	SZOIYJPYQKIOMI-KHPPLWFESA-N	305.403	1.780	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](C)OC[C@@H]2CCCCO2)n1	266929996	NLVGPUFBCWFLBL-RYUDHWBXSA-N	324.381	1.211	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)c2c[nH]c3ccccc23)O1	268276064	ILDAHKDGMATUDM-YGRLFVJLSA-N	301.346	1.887	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(c2ncc(C)s2)CC1	269489736	RWRYEQGZZATGMP-ZRDIBKRKSA-N	306.391	1.544	50	20	DDGD	
CCC[C@H](NNC(=O)COCc1ccccc1)C(=O)OCC	266482891	QROXUQQJMRKLLX-AWEZNQCLSA-N	308.378	1.556	50	20	DDGD	
COCCCn1ccc(NC(=O)NNc2cccc(OC)n2)n1	272532006	MWKQCWMTOITHHD-UHFFFAOYSA-N	320.353	1.472	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cn(-c2cccc(Cl)c2)nn1	275409481	CBQVGHIIQSWSKR-UHFFFAOYSA-N	319.752	1.482	50	20	DDGD	
CC(C)(O)CC(=O)NNC(=O)c1cc2ccccc2cc1O	279815102	AECDYFJYNPWZGP-UHFFFAOYSA-N	302.330	1.467	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CC2CCCC2)nn1CCC#N	273461280	QNMPBWBMWVUVKC-UHFFFAOYSA-N	318.381	1.838	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C[C@H]2CCC(=O)[C@@H]2C)cc1	279725492	VJFCQMWNCSNHGN-CHWSQXEVSA-N	318.373	1.527	50	20	DDGD	
O=C1CCc2cc(NC(=O)NNC(=O)C3CCC3)c(F)cc2N1	275793297	CYVUQQNFPCVAMD-UHFFFAOYSA-N	320.324	1.663	50	20	DDGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2cnn(C)c2)cc1	208492352	SGTMDWMTHBOOLD-QPEQYQDCSA-N	309.329	1.924	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	278531230	DUCDJMQLMGIWRT-MEBBXXQBSA-N	310.325	1.068	50	20	DDGD	
CC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CC(C)C)c1	274251203	ZTUKXICLOWXTHI-UHFFFAOYSA-N	305.334	1.021	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1sc(C)nc1C	276579530	OIYVSCXDSYJMEA-UHFFFAOYSA-N	315.395	1.310	50	20	DDGD	
COc1ccc(C(=O)NN(C)C(N)=O)cc1OC1CCCC1	273314503	YINYKRSXZDFGFU-UHFFFAOYSA-N	307.350	1.672	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@@H](NC(=O)NNC(=O)c2cccc(C)n2)C1(C)C	279776275	APISCCWAQHRYBT-RAIGVLPGSA-N	320.393	1.394	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)[C@@H]1CC12CCOCC2	370076253	FDPUUEQZVGELKJ-HNNXBMFYSA-N	316.401	1.973	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)n1ccc2ccccc2c1=O	289105076	PZKZFXYVNYLDBA-LBPRGKRZSA-N	315.373	1.756	50	20	DDGD	
COC(=O)N(C)NC(=O)Cc1c(C)nn(CC(F)(F)F)c1C	286254989	HECDWAKIOUMASN-UHFFFAOYSA-N	322.287	1.334	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCC[C@@H]2[C@@H]2CCCO2)n1	284177647	KWSMDWBXDSARQK-KGLIPLIRSA-N	318.377	1.388	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)CNc2ccc(C)cc2C)CC1	281815960	DJGHVXXJXCVYII-UHFFFAOYSA-N	319.405	1.679	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NNc1nc(C)cc(C)n1	281782207	KOZGKDMSNLJXOH-QWHCGFSZSA-N	305.382	1.701	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1snnc1C1CC1	289333256	DYUPVVLCDZNOGF-UHFFFAOYSA-N	317.374	1.289	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NNC(=O)c1ccccc1F	280832345	WZAASKWBXZNXLF-FZMZJTMJSA-N	321.352	1.751	50	20	DDGD	
C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)CCl	382657078	LDJLLOVAERRNGR-GFCCVEGCSA-N	302.827	1.719	50	20	DDGD	
CCOc1ccc(C(=O)CCC(=O)NN(C)C(=O)OC)cc1	286395937	OZCYECBURPWKTQ-UHFFFAOYSA-N	308.334	1.778	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)c1ccccc1	297755847	SSVFURXDXNSKMR-UBHSHLNASA-N	321.377	1.272	50	20	DDGD	
C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)NNC(=O)C1CCCC1	805351635	KNBNMCZUBZLRPO-TZMCWYRMSA-N	308.426	1.476	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)COC(F)F)c1C	803155881	CASUJVHYYNJOAA-UHFFFAOYSA-N	303.334	1.860	50	20	DDGD	
CCC[C@H](CNC(=O)NNC(=O)Cc1ccc(F)cc1)OC	296722429	JJDYLWACORSDDE-CYBMUJFWSA-N	311.357	1.514	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@@H]1OC[C@@H]2COCC[C@H]21	290908698	MYIIHUPOMAUUOE-OUCADQQQSA-N	318.377	1.239	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1cc(F)ccc1Cl	292927989	MGXJHZDTHVEYKB-JTQLQIEISA-N	301.705	1.811	50	20	DDGD	
C[C@@H](C#N)C(=O)NNc1cc([N+](=O)[O-])ccc1Br	800620128	YBBNNMYBFJCSNP-LURJTMIESA-N	313.111	1.960	50	20	DDGD	
Cc1cc(C)cc(C2(C(=O)NNC(=O)[C@@H]3CCCO3)CC2)c1	294753351	WILGSPNPECDFAA-AWEZNQCLSA-N	302.374	1.661	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@@H](O)C(C)C	291367928	AECJBMNPFPFCFX-NSHDSACASA-N	300.742	1.127	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C[C@@H]1CCCC(=O)N1	290813531	GILIMECHHGDVDC-JTQLQIEISA-N	306.322	1.405	50	20	DDGD	
C[C@H]1CCCCN1CCCCNC(=O)NNc1ccncn1	296210569	FBRXJQMMLHOFKC-ZDUSSCGKSA-N	306.414	1.757	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	294327529	SNJDTFVOQODSSI-GWCFXTLKSA-N	320.345	1.192	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)C12CCCN1CCC2	290761534	KHLZHQMZKIBZDU-UHFFFAOYSA-N	305.353	1.144	50	20	DDGD	
COc1ccnc(NNC(=O)C2(c3ccccc3OC)CC2)n1	299554501	ZQIMTNNMCCAERU-UHFFFAOYSA-N	314.345	1.669	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNc1cccc(C(=O)OC)c1	807212170	TYYHBDPZNVYONG-UHFFFAOYSA-N	322.361	1.896	50	20	DDGD	
O=C(NNc1ncccc1F)C(=O)Nc1ccc2[nH]ccc2c1	807300251	FRBVVCWHWRHJKH-UHFFFAOYSA-N	313.292	1.784	50	20	DDGD	
CC(=O)N/C(=C\c1cccs1)C(=O)NNC(=O)C(C)(C)C	817519793	SPVGCQUZZQNDNC-FLIBITNWSA-N	309.391	1.419	50	20	DDGD	
O=C(NNc1ncncc1F)Nc1ccc2c(c1)OCCO2	813839601	CFXPORNTLBXRJS-UHFFFAOYSA-N	305.269	1.536	50	20	DDGD	
CCc1nocc1C=NNC(=O)COc1ccc(OC)cc1	814720444	PULPGFJKSGOVLB-UHFFFAOYSA-N	303.318	1.775	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NC[C@H]1C[C@H]2C=C[C@H]1CC2	817171993	QCSFVKXIDABUGE-AEGPPILISA-N	314.389	1.557	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1cc(Cn2cccn2)on1	816126014	RXMQIPZPNZDQGI-UHFFFAOYSA-N	318.724	1.147	50	20	DDGD	
CCOCc1cc(C=NNC(=O)Cc2cc[nH]n2)ccc1OC	814957683	MSGCMXYCNVTNLH-UHFFFAOYSA-N	316.361	1.648	50	20	DDGD	
Cc1cc(O)nc2cc(C(=O)NNC(=O)NCC3CC3)ccc12	813424259	JLEPPOJIPLDKSI-UHFFFAOYSA-N	314.345	1.603	50	20	DDGD	
O=C1CCc2ccc(NC(=O)NNc3ncncc3F)cc2N1	814648516	DIVIJWYDGZOHIT-UHFFFAOYSA-N	316.296	1.649	50	20	DDGD	
CC1(C)CN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C[C@H](CO)O1	817277579	KIFLOPFWAIUWQS-SMCAMXITSA-N	317.345	1.931	50	20	DDGD	
CN(NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)C1CC1	819647787	SSYZYJHSQHQBLU-UHFFFAOYSA-N	302.290	1.588	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N(C)[C@@H](C)C(=O)O)cc(C#N)n1C	818772698	KHBHQNZSUVMHCJ-IUIMMGEKSA-N	300.318	1.044	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H](O)c2ccc(Cl)cc2)n1	813552543	RERJBLBJNALYOF-ZDUSSCGKSA-N	319.748	1.538	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cn1cnc2ccccc21)C1CC1	727271053	QOAYGYLGUXCMQL-SNVBAGLBSA-N	317.418	1.330	50	20	DDGD	
O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NNc1nc2ccccn2n1	492944247	COAORCIITMOVMF-TWGQIWQCSA-N	324.300	1.794	50	20	DDGD	
CCN(CCO)NC(=O)c1occc1COc1ccccc1	823840949	AJOVEUDRQXYZCE-UHFFFAOYSA-N	304.346	1.818	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1	495774945	PMSSADVJUVYJTG-LLVKDONJSA-N	313.260	1.235	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccnn1Cc1ccccn1	494383581	XKTBHUYYPHQMTP-UHFFFAOYSA-N	304.310	1.109	50	20	DDGD	
COC(=O)NCCC(=O)NNC(=O)c1ccc2ccccc2c1	491256348	RAQPLOAVRRRCMA-UHFFFAOYSA-N	315.329	1.347	50	20	DDGD	
CSC[C@H](CCO)NC(=O)/C(C#N)=C/c1ccc(O)cc1	491100918	BYELWDOVRFOGOR-RPHSKFLZSA-N	306.387	1.529	50	20	DDGD	
CSc1ccc(CCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	823476418	XRGNQVJSBOIDOJ-RISCZKNCSA-N	322.430	1.914	50	20	DDGD	
COCCN(CCN(C)C)C(=O)/C(C#N)=C\c1ccc(F)cc1	491046433	HEZAUUUAGJIQDY-QINSGFPZSA-N	319.380	1.769	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CCC[C@H]1C(C)(C)C	826973988	HHAZFEPJOVWLJF-WUHRBBMRSA-N	311.426	1.957	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H](C)COc1ccccc1	825848119	XGAJJTVZYDTQPW-MBNYWOFBSA-N	321.377	1.209	50	20	DDGD	
CS[C@H](C)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	494044932	VEBZUFRIZPMESX-SECBINFHSA-N	319.427	1.190	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)COc1cc(Cl)cc(Cl)c1	823952999	WKLBZAIMCKGNBB-MRVPVSSYSA-N	307.177	1.716	50	20	DDGD	
C[C@H]1C(=O)NCCCN1S(=O)(=O)c1ccc(CCl)cc1	908482472	SETXBFLMYMCOMM-JTQLQIEISA-N	316.810	1.325	50	20	DDGD	
CCOCC(=O)NN=C[C@@H](CNC(=O)OC(C)(C)C)C(C)C	492151287	VFKHHZGIJMEOON-GFCCVEGCSA-N	315.414	1.922	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1nnc(C2CC2)s1	728938710	NJPUXOJTCSDJSM-UHFFFAOYSA-N	318.362	1.206	50	20	DDGD	
Cc1ccc([C@H](NC(=O)c2cccc(B(O)O)c2)C(C)(C)C)o1	584947301	KZHVVWAVLQQVKI-HNNXBMFYSA-N	315.178	1.785	50	20	DDGD	
C/C=C(\CC)C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1	588575444	HSSGNNINXWYUNM-QDEBKDIKSA-N	323.780	1.460	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)C1(N(C)C(=O)OC(C)(C)C)CCC1	823922995	OEUDOALOMTXSIK-LLVKDONJSA-N	315.414	1.120	50	20	DDGD	
CC(C[C@@H](C)NC(=O)OC(C)(C)C)=NNC(=O)CN(C)C	494552726	ALYBHGNJIIXWJE-SNVBAGLBSA-N	300.403	1.343	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCCn2cncn2)cc1F	909359369	JMOFOLAYEZXUOA-UHFFFAOYSA-N	321.312	1.127	50	20	DDGD	
CCS(=O)(=O)Nc1ccc(NC(=O)NNC(=O)O)cc1C	737226773	RUGVJKNSOZZKRI-UHFFFAOYSA-N	316.339	1.061	50	20	DDGD	
CC1(C)CC2(CCC2)CN1C(=O)c1ccc(B(O)O)c(F)c1	585005764	FPEQITVKCXKLPK-UHFFFAOYSA-N	305.158	1.300	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@H](C)C1CCN(C(=O)OCC)CC1	495539648	HMLKKTFEBBZJND-SLQMCABGSA-N	323.393	1.804	50	20	DDGD	
CN(NC(=O)[C@]1(C(=O)OC(C)(C)C)C[C@H]2CC[C@H]1C2)C(N)=O	831519440	MVSIVZKZOZCUPF-YHAQOWFVSA-N	311.382	1.176	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCc1cccc(C(=O)NC)c1	491105100	PJOHJHQRMOGNOG-SDNWHVSQSA-N	301.346	1.149	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cccc2c1CCO2	831764421	YKPYFUVGUICERD-VHSXEESVSA-N	305.334	1.199	50	20	DDGD	
CC[C@H](C(=O)NNc1cccc(C(=O)O)c1)N1CCCC1=O	833635825	AUUDIXJLXHRAFI-GFCCVEGCSA-N	305.334	1.229	50	20	DDGD	
O=C(NC[C@@H]1CCCCC1(F)F)c1ccc(B(O)O)c(F)c1	584994731	DRJPBEXZCDYKHE-JTQLQIEISA-N	315.100	1.061	50	20	DDGD	
C[C@]1(C(=O)NCC(=O)NC2CCCC2)C[C@@H]1Br	906451758	DTFITVLPGDHAAH-CABZTGNLSA-N	303.200	1.335	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCCn2cncn2)c1F	909360117	YKOAATMEGRAAOK-UHFFFAOYSA-N	321.312	1.127	50	20	DDGD	
CCOc1cccc2c1CC[C@H]2NCc1cccc(B(O)O)c1	585023866	MWIDRIMQTRKSHQ-QGZVFWFLSA-N	311.190	1.542	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	831241897	XLMRRGRZLMIHDX-BXKDBHETSA-N	321.333	1.051	50	20	DDGD	
Cc1cccc([C@H]2CCCN2C(=O)c2ccc(B(O)O)cc2)n1	584963412	UFQWCRVEVISHEZ-MRXNPFEDSA-N	310.162	1.047	50	20	DDGD	
CN(C)[C@@H](CNCc1ccc(B(O)O)cc1F)C1CCCCC1	585015635	ICPQTSJIHGCXAU-KRWDZBQOSA-N	322.233	1.106	50	20	DDGD	
COC(=O)c1cc(NNC(=O)N[C@H]2CCSC2)ccc1F	838497808	VAQZJXSGGSHBIV-VIFPVBQESA-N	313.354	1.744	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C[C@H]1CCc2ccccc2C1	732554800	LUPSLBOWDGSIIZ-LBPRGKRZSA-N	312.373	1.674	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)N[C@H]1CCN(C2CC2)C1	734286060	YOIFKGFKDOXAIL-NSHDSACASA-N	305.338	1.458	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NCC(C)(F)F	836192665	YBSGHOZCIJOGLN-UHFFFAOYSA-N	311.292	1.242	50	20	DDGD	
CS[C@H](C(=O)NNC(=O)c1ccccn1)c1ccccc1	739676005	KZUZDMGFRXIRIC-ZDUSSCGKSA-N	301.371	1.947	50	20	DDGD	
COCCOc1ccc(C=NNC(=O)c2cnccn2)cc1	730462747	OXETZEZANIBKTJ-UHFFFAOYSA-N	300.318	1.266	50	20	DDGD	
Cn1cc2c(n1)CCC[C@@H]2C(=O)NNc1ncc(F)cc1F	837209241	XRTIQPLKMOHQFO-VIFPVBQESA-N	307.304	1.657	50	20	DDGD	
CC(C)(C)[C@H]1OCCC[C@@H]1CNCc1cccc(B(O)O)c1	585024126	UDFYGNFALNPFAR-ZBFHGGJFSA-N	305.227	1.297	50	20	DDGD	
O=C(CCOC[C@H]1CCCO1)NNc1ncc(F)cc1F	837206002	HPLYOILCGVIMCA-SNVBAGLBSA-N	301.293	1.389	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NC[C@@H]2C[C@H]2C(C)C)c1	836194103	MQMHOCRMZULHLT-ZFWWWQNUSA-N	319.405	1.996	50	20	DDGD	
COCCOc1ccc(CNC(=O)NNc2ccccn2)cn1	916513394	YOCHXZTXLXJYBW-UHFFFAOYSA-N	317.349	1.328	50	20	DDGD	
C[C@@]1(C(=O)N2C[C@H]3C[C@@H](O)CC[C@H]3C2)C[C@H]1Br	912299756	FKBOPBXNRVTAAL-VLLVSFFDSA-N	302.212	1.779	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc(Cl)n1	912509014	ZBRSSPJHNQAKSC-CABZTGNLSA-N	309.753	1.477	50	20	DDGD	
CC[C@H](C)n1nc(NC(=O)NNC(=O)[C@@H]2CCCCO2)cc1C	836495955	VBFXAUGELUEZFU-JQWIXIFHSA-N	323.397	1.884	50	20	DDGD	
CC1CCN(C[C@H](C)C(=O)NN=Cc2ccc(O)c(O)c2)CC1	916363662	XPLUIONRIYZCMC-ZDUSSCGKSA-N	319.405	1.916	50	20	DDGD	
CC(C)(C)C(=O)NCCNC(=O)NNc1cccc(C(=O)O)c1	833421934	MYMDESRTSWOABY-UHFFFAOYSA-N	322.365	1.173	50	20	DDGD	
COCCN(C)NC(=O)c1nccnc1Sc1ccccc1	837625891	VXVJMFSTEOFIAK-UHFFFAOYSA-N	318.402	1.851	50	20	DDGD	
Cc1cccnc1NNC(=O)C1CCC(C(=O)N(C)C)CC1	834348739	RIZIJHLFDFESFC-UHFFFAOYSA-N	304.394	1.728	50	20	DDGD	
COc1ccc(C(=O)NNc2nccn(C)c2=O)c2ccccc12	747942371	SYVKPERBGXTTPE-UHFFFAOYSA-N	324.340	1.699	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1cccc2c1CCCN2	841995436	MTUZBYDAPSZRLV-UHFFFAOYSA-N	304.394	1.921	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1	840288734	MPMAUJYMYZUDFS-UHFFFAOYSA-N	310.310	1.346	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc2c(c1)CC(C)(C)O2	843751760	ATERZLPXBLPSJK-UHFFFAOYSA-N	305.403	1.695	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N[C@H](CO)CCF)c1ccccc1	846713416	ZHAHJNBNMBHYND-LBPRGKRZSA-N	311.357	1.015	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@H]2CSC[C@H]2C)cc1	845192522	GSLNXWVTOKPANP-MFKMUULPSA-N	323.418	1.780	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1ccccc1Cl	843649258	UGUIXGYUHLVHKU-PWSUYJOCSA-N	310.781	1.845	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])[C@@H]1CCCN1C1CCCC1	749260416	BBMPEJBXXOUBRS-ZDUSSCGKSA-N	319.365	1.840	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@@H](C[C@H]1CCCO1)C(F)(F)F	845894739	IKGOQTKMWKUKGM-RKDXNWHRSA-N	322.262	1.806	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnc([C@H](C)OCC)s1	743820424	SKMXNTXIBLCRDG-QMMMGPOBSA-N	314.436	1.536	50	20	DDGD	
CC1=NO[C@@H](C(=O)NNC(=O)c2cc(C)nc3ccccc23)C1	847048595	XRUFRMOHNWYDIF-CQSZACIVSA-N	312.329	1.469	50	20	DDGD	
C#CCOc1ccc(C=NNC(=O)C(=O)NC(CC)CC)cc1	740763960	UUXIIGFHMBQLAW-UHFFFAOYSA-N	315.373	1.454	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C=NNC(=O)c2ccccn2)c1C	744516608	QBENRRMAPCDRAO-UHFFFAOYSA-N	314.345	1.967	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NNC(=O)C1CCCC1	914843963	HVJIXTHOZZXATQ-LBPRGKRZSA-N	309.410	1.361	50	20	DDGD	
COC(=O)CCCNC(=S)NNC(=O)CCc1ccccc1	749766802	FUOUCQZVUOHJGX-UHFFFAOYSA-N	323.418	1.068	50	20	DDGD	
Cc1ccccc1C(=O)NN=C1CCN(S(C)(=O)=O)CC1	747629784	IVSQGVBFWYPJCR-UHFFFAOYSA-N	309.391	1.136	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1Cc2ccccc2C(F)(F)C1	749446742	BAEAKSLYSUUHLB-JTQLQIEISA-N	311.332	1.540	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCc1ccon1)c1ccccc1	747500506	BJFAFVYAISTIJW-UHFFFAOYSA-N	302.334	1.483	50	20	DDGD	
C[C@H]1CCC[C@H](C(=O)OCC(=O)NNC(=O)c2cccs2)C1	745153340	KNFAOGJJKRJCDG-QWRGUYRKSA-N	324.402	1.879	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=C2CCCc3c2cnn3C)c1	915944953	OLWCDCURDHFGGZ-UHFFFAOYSA-N	311.389	1.957	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN(Cc2ccccc2)C1)c1ccncc1	847280754	GRTQIJYJWNILLZ-INIZCTEOSA-N	324.384	1.365	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1ccc(-n2ccnc2)nn1	848080732	CLHBSYSOVPLXSY-UHFFFAOYSA-N	300.149	1.538	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(-c2cnco2)cc1	843641887	DCHGKPIEBISMAS-MFKMUULPSA-N	315.329	1.528	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1ccccc1F)[C@H]1CCCNC1	841929596	WOFSLQKAQJQPJS-AAEUAGOBSA-N	322.384	1.087	50	20	DDGD	
CO[C@](C)(C1CC1)[C@@H](C)NC(=O)NNC(=O)c1ccc(C)o1	840418296	SPYZXXKBWZTJDM-BMIGLBTASA-N	309.366	1.736	50	20	DDGD	
O=C(NCCN1CCNCC1)NNc1ccc(Cl)c(F)c1	841919462	BLUZBSNSQVCUSF-UHFFFAOYSA-N	315.780	1.010	50	20	DDGD	
CN(N=Cc1ccc(OCC(N)=O)cc1)C(=O)OC(C)(C)C	920381231	OIOXCNBATOGGQJ-UHFFFAOYSA-N	307.350	1.752	50	20	DDGD	
COc1nccnc1NNC(=O)c1cnc2n1[C@H](C)CCC2	846260034	FCIOVLXGYGDLEG-SECBINFHSA-N	302.338	1.336	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1cccc2scnc12	840911501	DJQSCQXNPDHBLL-UHFFFAOYSA-N	313.404	1.652	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H]2CCCS2(=O)=O)cc1Cl	847723256	WMPBTPXWMOKNIS-LLVKDONJSA-N	313.766	1.232	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc2ncccc2o1	929426006	GGTKYDDFBIZIOW-UHFFFAOYSA-N	322.390	1.315	50	20	DDGD	
Cc1ncc(NC(=O)NNC(=O)c2cccc(Cl)c2)cn1	756365600	BHOWROGDMZANFX-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
Cc1nn(C)cc1S(=O)(=O)NC[C@]1(C)C[C@H]1Br	856751898	DUAGZVQXRSUOPN-ZJUUUORDSA-N	322.228	1.180	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1nc(Cl)ccc1F	759781348	FVHCIWPOOUDAAU-UHFFFAOYSA-N	316.789	1.783	50	20	DDGD	
Cc1ccc2cccc(NC(=O)NNC(=O)c3cnccn3)c2n1	756422046	KNKFZBAPWDQXDW-UHFFFAOYSA-N	322.328	1.800	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1)c1nccn1C	755588143	NWZPBVNPELAYGI-AGIUHOORSA-N	321.425	1.006	50	20	DDGD	
CNC(=S)N(C)NC(=O)Cc1cccc2ccc(OC)cc12	854923196	LVOKZWHDAYXJME-UHFFFAOYSA-N	317.414	1.858	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	755050342	XRYWHLRGUZRMON-WDEREUQCSA-N	312.341	1.413	50	20	DDGD	
O=C(NNc1cccnn1)c1cnn(-c2ccc(Cl)cc2)n1	752624628	PACWDCRWHUIOIH-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
C#CC1CCC(=NNC(=O)Cc2cc(O)nc(S)n2)CC1	853284412	CAGMTSJJGJEYAD-UHFFFAOYSA-N	304.375	1.309	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)Cc2occc2C)cc1	856791272	KGTHINIAJLXQNP-UHFFFAOYSA-N	317.345	1.399	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1NC(=S)NNC(=O)c1cccc(F)n1	853051182	BBVKCKWPGKWYJF-ZJUUUORDSA-N	310.398	1.908	50	20	DDGD	
COC[C@@H]1CCCN1C(=O)NC[C@@]1(C)C[C@@H]1Br	856898619	DCIDYKAMBKNIMA-JBLDHEPKSA-N	305.216	1.980	50	20	DDGD	
COCCOC1CCC(C(=O)NCCCSC#N)CC1	854359661	SORWLMVCPGOANC-UHFFFAOYSA-N	300.424	1.929	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NC2CCCCC2)c(C(F)F)n1	755160487	BYAUORWQSCTAJG-UHFFFAOYSA-N	315.324	1.634	50	20	DDGD	
C[C@H]1CCN(C[C@H](CBr)C2CC2)CCS1(=O)=O	859277831	COWREMFTEBDJDG-JQWIXIFHSA-N	324.284	1.917	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N(C)C)c(Br)c1	751387406	SMBWRDGINMGRAH-UHFFFAOYSA-N	316.155	1.374	50	20	DDGD	
COCCN(C)NC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F	854414207	XFKWTZACZTXKIU-UHFFFAOYSA-N	303.265	1.404	50	20	DDGD	
O=C(Cc1cc(Cl)cc2c1OCC2)NNc1ccncn1	857521039	YPPPVVRJWRENGM-UHFFFAOYSA-N	304.737	1.751	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNc2nc(O)c3ccccc3n2)c1	758307172	CQDHTBMDQZFVAX-UHFFFAOYSA-N	323.312	1.191	50	20	DDGD	
CC[C@H](C)NC(=O)COC(=O)/C(C#N)=C/c1ccc(O)cc1	754535698	IFPGYNLXDOQUHJ-ZWSXMNCCSA-N	302.330	1.757	50	20	DDGD	
Cn1nc(CNC(=O)NNc2cccc(C#N)c2)cc1C1CC1	927645740	UHBQMTCPEMZAHE-UHFFFAOYSA-N	310.361	1.995	50	20	DDGD	
COc1cc(C)ccc1C(=O)NNC(=O)OCC(F)(F)F	856022397	BGWPMCMSGCBKOK-UHFFFAOYSA-N	306.240	1.937	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2cnc3n2CCC3)cc1	853280130	FSVRVGZSEOKPCK-UHFFFAOYSA-N	311.345	1.227	50	20	DDGD	
CC(=O)NNC(=O)c1nn(C(C)(C)C)cc1Br	854155080	FCAYWLVZOUSOPL-UHFFFAOYSA-N	303.160	1.182	50	20	DDGD	
C[C@@H]1CC(NC(=O)NNC(=O)c2cccc(F)n2)C[C@@H](C)C1	852136725	OSWKUXQJZQDSLL-UWVGGRQHSA-N	308.357	1.989	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ncoc2-c2ccon2)n1	857435620	GVAIJMBCGCCXSD-UHFFFAOYSA-N	300.278	1.493	50	20	DDGD	
CCS(=O)(=O)C[C@@H](C)NC(=O)NNc1cc(F)ccc1C	853733766	HORUCDFRVWVSSY-SNVBAGLBSA-N	317.386	1.583	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)N1CC[C@@H]2C[C@@H]2C1	852588956	MKXMORPWCUIDOC-VXGBXAGGSA-N	324.425	1.012	50	20	DDGD	
CC1(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)CCC1	750529602	XENXRGJHQVLCSE-UHFFFAOYSA-N	315.329	1.053	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)N[C@@H](CO)C1CCCCC1	852709470	WDRPVESKVVRGDV-LBPRGKRZSA-N	324.356	1.106	50	20	DDGD	
O=C(NNC(=O)c1c(F)ccc2c1OCO2)NC1CCCC1	930965969	RVXFQMCEDLXFFS-UHFFFAOYSA-N	309.297	1.441	50	20	DDGD	
C[C@H]1CCCc2ncc(C(=O)NNc3ncc(Cl)cn3)n21	857359217	UUIMTUQKBBBLQR-QMMMGPOBSA-N	306.757	1.981	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC(CCN)CC2)C[C@H]1Br	857105503	MGZOADBYHMORIU-DGCLKSJQSA-N	318.259	1.930	50	20	DDGD	
O=C(CNC(=O)C1CCCCC1)NNc1cccnc1Cl	754485117	JEOFRKIDSZTGOC-UHFFFAOYSA-N	310.785	1.875	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2ccn(C)c2c1	869068236	OIFLIKLBVHGMAK-GXFFZTMASA-N	301.346	1.364	50	20	DDGD	
COc1cccc(NNC(=O)[C@H]2CCCN(CC(F)F)C2)n1	867286711	GHUUVAQMLRMPAV-JTQLQIEISA-N	314.336	1.510	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=Cc1cnc(C2CC2)o1	863087430	NUEKSDKUPFLWEO-UHFFFAOYSA-N	318.358	1.494	50	20	DDGD	
CCCC1(C(=O)NNC(=O)c2c(C)nc3ccccn23)CC1	760305414	QSHWTZWNNZGJEX-UHFFFAOYSA-N	300.362	1.984	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@H]32)nc1	860446368	RDPAGBNBPQAQFV-NUEKZKHPSA-N	323.352	1.897	50	20	DDGD	
C[C@H](Cn1cccn1)NC(=O)NNc1ncnc2ccsc12	765674916	DSSNHZPMBFWHEU-SECBINFHSA-N	317.378	1.603	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H](C)c2c(C)n[nH]c2C)c1	862476165	KQQUHPFBHWKTCA-QMMMGPOBSA-N	306.391	1.961	50	20	DDGD	
Cc1conc1NC(=O)C(=O)NNC(=O)c1cccc(Cl)c1	763748545	RXLNGAQTWRYFLK-UHFFFAOYSA-N	322.708	1.036	50	20	DDGD	
COCCCNC(=O)NN=Cc1cc(Cl)cc(F)c1O	768364628	LHUMSBQJPDBVAL-UHFFFAOYSA-N	303.721	1.854	50	20	DDGD	
Cc1cc(=NNC(=O)C2(C(=O)OC(C)(C)C)CCC2)cc[nH]1	862514908	BCFOCYOXDSQSMY-UHFFFAOYSA-N	305.378	1.767	50	20	DDGD	
CCCCc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1	862449862	LAQOHWYTEZEIPO-CYBMUJFWSA-N	303.362	1.069	50	20	DDGD	
Cc1ccc(Cn2nc(C)c(C=NNC(=O)CCO)c2C)cc1	1116204948	JEVSNEVQSXDQMQ-UHFFFAOYSA-N	314.389	1.689	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NC[C@H](O)Cc1ccccc1	866841261	YELZGHXTLKFSGU-CYBMUJFWSA-N	319.854	1.774	50	20	DDGD	
CNC(=O)[C@H]1CCC[C@H]1NC(=O)NNc1cccc(C#N)c1	766277543	UOGIRZDHGNPYCE-QWHCGFSZSA-N	301.350	1.099	50	20	DDGD	
C[C@]1(CNC(=O)c2cnc(C(=O)O)cn2)C[C@@H]1Br	1118753912	DZPXPJCFFJVDQN-GZMMTYOYSA-N	314.139	1.078	50	20	DDGD	
CCO[C@H](CC(=O)NNC(=O)c1ccc(C)cc1O)C(C)C	760827688	VLCIQVMIBMWQSG-CQSZACIVSA-N	308.378	1.913	50	20	DDGD	
Cc1ccn2ncc(C(=O)NNc3nncc(N)c3Cl)c2c1	1116431342	GITZFPUVMNZZQZ-UHFFFAOYSA-N	317.740	1.425	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cccc(NC(C)=O)c1	872356035	XHVZVXZRELEKHM-LLVKDONJSA-N	307.350	1.147	50	20	DDGD	
CNC[C@H](C)CNC(=O)NNC(=O)c1cc2c(s1)CCC2	1117967551	ZMFKDHMWHRKRQX-VIFPVBQESA-N	310.423	1.036	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)CC(C)(C)O)cc1	874952893	LBYFBSKRWMBDOA-UHFFFAOYSA-N	310.423	1.231	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@H](C)C(F)(F)F)cn1	874953416	BWCLJONSZZDKOC-LURJTMIESA-N	322.312	1.606	50	20	DDGD	
CCC1=C(C(=O)NNC(=S)Nc2ccccn2)CCCO1	874956412	WPRKPIZCJHUJLT-UHFFFAOYSA-N	306.391	1.874	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@@H](F)Cc1ccccc1	777974930	BFTNXWGWXGOHLK-ZDUSSCGKSA-N	305.309	1.691	50	20	DDGD	
Cc1nccn1CCCC(=O)NNC(=S)Nc1ccccn1	874954791	AFOMXVZDGOSCHM-UHFFFAOYSA-N	318.406	1.385	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1cnc2[nH]cncc1-2	872336881	OHNKCLBQWVNHLA-GFCCVEGCSA-N	314.393	1.482	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccc(CCN(C)C)cc1	875522078	SUQJIOVPGXUTBN-UHFFFAOYSA-N	308.382	1.203	50	20	DDGD	
O=C(NN=C1CCCc2c(F)cccc21)[C@@H]1CCS(=O)(=O)C1	872339740	XCDAQBNPRWNUIH-SNVBAGLBSA-N	324.377	1.417	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NCCCSC#N)C1	773593532	JZOPEDVNXOXHKR-GFCCVEGCSA-N	311.451	1.992	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)N[C@H]1C[C@H](C(=O)O)C1	874425545	FDOWVICQGRFEQM-XWEPSHTISA-N	315.276	1.777	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(F)c(C(=O)OC)c1F	879613951	JMTMPTMTAAMKSI-UHFFFAOYSA-N	317.292	1.366	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](C)c1ccc([S@@](C)=O)cc1	875423407	MQMOOSGRHLDDNC-AOUSDQRYSA-N	313.379	1.397	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CC12CCCC2	772169368	HBJJKVLBDYOAAP-NEPJUHHUSA-N	310.394	1.692	50	20	DDGD	
CCc1[nH]nc(C(=O)NNc2nccnc2C(C)C)c1[N+](=O)[O-]	772846754	BGKXEIAUFXUNNY-UHFFFAOYSA-N	319.325	1.551	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2ccc(F)nc2)c1	776721791	YOKCYEUVVDUCAC-UHFFFAOYSA-N	309.322	1.381	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1cccnc1Cl	775605401	YVWDYGRIXQFRAA-UHFFFAOYSA-N	304.737	1.608	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cccc2c1OC(F)(F)O2	887152127	XNPULCFAJREXMY-UHFFFAOYSA-N	310.256	1.573	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2cc(Cl)nc(C)n2)ccn1	787897878	CQQJEVSGBWUBJM-UHFFFAOYSA-N	321.724	1.377	50	20	DDGD	
CCOCC(=O)NNc1ccccc1I	882140170	LEZDSKYTXUUEPT-UHFFFAOYSA-N	320.130	1.771	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@H](C(=O)NNc2ncnc3ccsc23)C1	787125805	JURYLCPJTSBWCQ-BDAKNGLRSA-N	319.390	1.426	50	20	DDGD	
Cc1ccncc1[C@H](C)N[C@H](C)C(=O)NNC(=O)CC(C)C	783000887	CNQLYYVGQWFALQ-QWHCGFSZSA-N	306.410	1.623	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1nnc(CC(F)(F)F)s1	782587877	OFBWTQHPQJMVDU-UHFFFAOYSA-N	311.289	1.452	50	20	DDGD	
Cc1cc(C=NNC(=O)c2cccc(S(C)(=O)=O)c2)sn1	785452569	FSIQBKJWYMEDDZ-UHFFFAOYSA-N	323.399	1.619	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)CCc2ccccc2)C1	786864703	VLRCWZCJFQOMLF-ZIAGYGMSSA-N	317.389	1.058	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(OC)cc1OCCC	789749189	DSSBFDPGBGUCEY-UHFFFAOYSA-N	309.366	1.838	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)C12CCC(CC1)C2	784999505	UJSRRWDTPQNSEI-UHFFFAOYSA-N	306.337	1.932	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccnc(F)c2)c(C)n1	784851754	GLBCEYLATDBJCF-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(-n2cccn2)cc1C	789330775	PCHRBDFRYPKVDJ-UHFFFAOYSA-N	316.365	1.879	50	20	DDGD	
COCC1(C(=O)NNC(=O)Cn2ccc3ccccc32)CCC1	786104139	CUJDUXCVCGDSEI-UHFFFAOYSA-N	315.373	1.605	50	20	DDGD	
CC(=O)Nc1nc(C(=O)NNC(=S)NC(C)(C)C)cs1	899992243	SWSNXSWRMPUADL-UHFFFAOYSA-N	315.424	1.009	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1ccc(C#N)cc1Cl	788424124	AXLABVWCVJJDOY-UHFFFAOYSA-N	306.753	1.977	50	20	DDGD	
Cc1cc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)ccn1	789024632	CWKBACYYCRCDOF-LLVKDONJSA-N	307.350	1.129	50	20	DDGD	
O=C(NNC(=O)c1cnc2cc[nH]c2c1)NC1CCCCC1	899940880	ZIRJPBLDAFVEEJ-UHFFFAOYSA-N	301.350	1.840	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCCC(C)(C)CO)n1	793044638	GZZNQJKSYOBVLS-UHFFFAOYSA-N	308.382	1.133	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H](C)S(C)(=O)=O	798141724	GGBKVLRYBWIDNT-SSDOTTSWSA-N	320.802	1.130	50	20	DDGD	
COCc1cc(C=NNC(=O)c2cc([N+](=O)[O-])ccc2O)no1	794911754	PMYBLHXNDKRNSV-UHFFFAOYSA-N	320.261	1.199	50	20	DDGD	
CSSCCNC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1	790846434	FNXKZURWQKYMAH-VIFPVBQESA-N	305.469	1.696	50	20	DDGD	
Cc1cccnc1NNC(=O)c1ccccc1S(C)(=O)=O	791223882	LOHDKPMWACRZOF-UHFFFAOYSA-N	305.359	1.550	50	20	DDGD	
O=C(NNC(=O)c1cc(F)c(F)cc1Cl)c1cn[nH]c1	799768346	IQNPOJSFAGYIHP-UHFFFAOYSA-N	300.652	1.416	50	20	DDGD	
COc1nc(C)ccc1C(=O)NNC(=O)c1cccc(C)n1	794072569	NLAVVDMJPZJZBG-UHFFFAOYSA-N	300.318	1.177	50	20	DDGD	
C[C@H]1CCC[C@@H]1CNC(=O)NNc1nc(O)c2cnn(C)c2n1	798511751	RTAUEMWVHSPOMU-DTWKUNHWSA-N	319.369	1.131	50	20	DDGD	
NC(=O)C(=O)NN=C1CC[C@H](c2ccc(C(F)(F)F)cc2)C1	799465245	AVJRWTVGTTUSBF-VIFPVBQESA-N	313.279	1.930	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])on1	791069057	CPPAYIHZHHGQJU-UHFFFAOYSA-N	324.224	1.265	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)COC2CCCCC2)cc1	1317867316	DLEFDIPEFNDVBC-UHFFFAOYSA-N	306.362	1.806	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@H]2CCCCO2)c2cc(F)ccc21	1324513065	UMDGCOKJDLQHSS-CQSZACIVSA-N	319.336	1.648	50	20	DDGD	
NC(=O)c1cc(C(=O)NNC(=O)c2ccccc2Cl)co1	1320289653	OQMSPUHUQCKZOW-UHFFFAOYSA-N	307.693	1.107	50	20	DDGD	
Cc1ncccc1CC(=O)NNC(=O)c1ccc2c(c1)OCO2	1328862365	BZXWHDINBOTIFU-UHFFFAOYSA-N	313.313	1.122	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@]2(F)CCOC2)cc1	1326074902	MDZWZTZVQIDHOK-AWEZNQCLSA-N	310.329	1.034	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Nc2cncc(F)c2)cc1	1325144096	NQVNVDOCENFMAA-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1nccc(Cl)c1F	1320483375	QIDVVLHWBQAHKM-UHFFFAOYSA-N	308.700	1.273	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cn2cc(C3CC3)cn2)cc1	1330705633	WIDZAEFJTJFICS-UHFFFAOYSA-N	314.345	1.230	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1CNC(=O)NNc1nncc(N)c1Cl	1337215480	ZUDOUYQWVLZDPV-VXNVDRBHSA-N	314.777	1.153	50	20	DDGD	
COC1(OC)CC(NC(=O)NC[C@@]2(C)C[C@H]2Br)C1	1351220943	CSQSKKGWNMDYLM-MWLCHTKSSA-N	321.215	1.611	50	20	DDGD	
CSCC[C@H](N)CC(=O)NC[C@]1(C)C[C@@H]1Br	1357908892	ABENDFGAJZJZGA-QXEWZRGKSA-N	309.273	1.747	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c(C(=O)O)c1)Nc1cc(F)cc(F)c1	1601556372	WUKHOUOZJWAFDK-UHFFFAOYSA-N	324.243	1.458	50	20	DDGD	
CC(CCc1ccccc1[N+](=O)[O-])=NNC(=O)NCC(=O)O	1609740684	WIMVXGPWXOSBCM-UHFFFAOYSA-N	308.294	1.287	50	20	DDGD	
C[C@@]1(CNC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)C[C@@H]1Br	1604576909	BNZGRDDNNPADSZ-ARHDFHRDSA-N	319.199	1.712	50	20	DDGD	
O=C(O)C1(O)CCN(C[C@H](CBr)C2CC2)CC1	1601722393	LUCURXVBEHFANS-JTQLQIEISA-N	306.200	1.319	50	20	DDGD	
O=C(NC[C@@H]1CCC=CO1)NNc1ccc(C(=O)O)c(F)c1	1601481863	FBWBFNQYLPBFHM-JTQLQIEISA-N	309.297	1.843	50	20	DDGD	
O=C(NNC(=O)[C@@]1(C(=O)O)CC=CCC1)c1ccccc1F	1605814442	AQORCLBBEFLPEY-OAHLLOKOSA-N	306.293	1.398	50	20	DDGD	
Cc1ccc(NNC(=O)c2cc(C(=O)O)nn2C)cc1Cl	1607809660	YBHVPTZOTYDVLV-UHFFFAOYSA-N	308.725	1.837	50	20	DDGD	
CC(C)(C)NCCC(=O)NNc1ccc(-c2nn[nH]n2)cc1	1603081950	FJKBTXRKEDTRRE-UHFFFAOYSA-N	303.370	1.088	50	20	DDGD	
CC1=C(C(=O)NNc2cccc(C(=O)O)c2F)C(=O)OC1(C)C	1604607980	QYJIRTPTYWOHJD-UHFFFAOYSA-N	322.292	1.619	50	20	DDGD	
O=C(NCCc1cccc(C(=O)O)c1)NNc1cccnn1	1608451626	DBMRIVUZVGSUMC-UHFFFAOYSA-N	301.306	1.044	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)C1(C#N)CC(C)C1	1610286298	WAAYEUAKQSFLMR-UHFFFAOYSA-N	303.318	1.776	50	20	DDGD	
COCC(=NNC(=O)[C@H]1CCCO[C@@H]1c1nccn1C)C1CC1	1549311837	UDWFLBZHTUDJEG-JSGCOSHPSA-N	320.393	1.416	50	20	DDGD	
CCOc1cccc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)c1	1549319504	UYSZGNWUVZMSGJ-GDBMZVCRSA-N	317.389	1.399	50	20	DDGD	
O=C(NN=Cc1scnc1C1CC1)[C@H]1CN2CCC[C@H]2CO1	1549318574	CIMYDDYWTZEVIB-NWDGAFQWSA-N	320.418	1.334	50	20	DDGD	
C#CCN1CCC[C@@H](NC(=O)NNc2cccc(C(=O)O)c2)C1	1588477077	VFTGATYFGFYYRK-CQSZACIVSA-N	316.361	1.109	50	20	DDGD	
CC1(C(=O)N2CC3(CCCN3C(=O)[C@@H](F)Cl)C2)CCC1	1843362067	ZXIXXAATIJFGMI-SNVBAGLBSA-N	302.777	1.914	50	20	DDGD	
O=C([C@H]1CC1(F)F)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843363870	DIICOHSPOUWWPQ-HTQZYQBOSA-N	310.703	1.379	50	20	DDGD	
O=C(O)COc1ccc(C(=O)NNc2ncc(F)cc2F)cc1	1595119383	QVNUHCDNDCNBDS-UHFFFAOYSA-N	323.255	1.580	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C1CC[C@H](C(=O)O)C1	1597179559	AUUCZKMAMAVYRH-NSHDSACASA-N	320.345	1.821	50	20	DDGD	
C[C@H]1CCC[C@@H](CNC(=O)NNc2ccc(CC(=O)O)cc2)O1	1594346020	KRHSGBQQEVUIKO-FZMZJTMJSA-N	321.377	1.897	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)[C@H]1CC[C@@H](C(=O)O)C1	1594782255	UYTCAQVSXXWWEE-VHSXEESVSA-N	300.318	1.574	50	20	DDGD	
CCOc1cc(C=NNC(=O)C2CC2)ccc1OCC(=O)O	1776019419	ORGMQYUXSBZBEX-UHFFFAOYSA-N	306.318	1.409	50	20	DDGD	
COc1nccc(C=NNC(=O)c2cccc(C(=O)O)c2)c1F	1776095984	FLPNCQFGVBSZNR-UHFFFAOYSA-N	317.276	1.691	50	20	DDGD	
N#C/C(=C\c1ccc(C(=O)O)cc1[N+](=O)[O-])C(=O)NC1CC1	1776128298	VQDPOBDXZQGGOI-BJMVGYQFSA-N	301.258	1.479	50	20	DDGD	
CN(C)C(=O)[C@H](NNC(=O)c1ccccc1F)c1ccccc1	15508027	VZJKJXAIGWRGML-OAHLLOKOSA-N	315.348	1.890	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(C)Cc1cc(C(=O)OC)c(C)o1	158716905	IFGJIZIKTGQOMG-LUAWRHEFSA-N	306.318	1.777	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1	163227206	GFQKDPJAXQCNNV-UHFFFAOYSA-N	324.234	1.533	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1cccc(-c2ncn[nH]2)c1	157194350	GUJGGODBBKDJDH-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O	159717471	MWYUNHOTZHHDKL-JXUHDVKBSA-N	313.357	1.741	50	20	DDGD	
COCC1(O)CCN(C[C@H](CBr)C2CC2)CC1	859209327	CXBJUWRNKYMXKP-LBPRGKRZSA-N	306.244	1.881	50	20	DDGD	
CC[C@H](OC1CCCC1)C(=O)NNC(=O)NCC(F)(F)F	113460687	VBESYKMCFJYVFX-VIFPVBQESA-N	311.304	1.617	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccc(F)cc1Cl	103424733	COCCTBKMUSOIDK-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](OC)c2ccccc2)n1	174476029	OERYBBANPQCUHD-CYBMUJFWSA-N	302.334	1.624	50	20	DDGD	
O=C(CSc1ccncc1)NNC(=O)Cc1ccccc1F	108973918	ICOCTJCKRWSEFD-UHFFFAOYSA-N	319.361	1.703	50	20	DDGD	
C[C@H]1CC[C@H](CCC(=O)NNC(=O)CCc2ccccc2O)O1	173158876	WNOVYVOBJIPTNG-GXTWGEPZSA-N	320.389	1.820	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(OCCN2CCCCC2)cc1	119031253	MXBBFADDARFMSK-UHFFFAOYSA-N	320.393	1.724	50	20	DDGD	
CCC[C@H](NNC(=O)Cn1ccc2ccccc21)C(=O)OCC	174061526	ZMVXVRDIKMZJLP-AWEZNQCLSA-N	317.389	1.994	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1	119096413	MEJIVRCSVWRZGM-UHFFFAOYSA-N	318.264	1.816	50	20	DDGD	
CC(=O)CCCC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	178297470	APMOWFHITXPELN-LLVKDONJSA-N	310.325	1.500	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1cc2ccccc2[nH]c1=O	172286499	WNVMVAAEXHWCEF-UHFFFAOYSA-N	315.720	1.728	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)C2CCNCC2)c(C)c1	1345130240	UMXZLRPNMYDFOK-UHFFFAOYSA-N	318.421	1.176	50	20	DDGD	
CN(C)CC[C@H](NC(=O)NNC(=O)C(C)(C)C)C(C)(C)C	116431476	HHEUHDTYAORTLC-NSHDSACASA-N	300.447	1.729	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCc2ccsc2)cc1	60994645	TYQBPGLDMRMLQO-UHFFFAOYSA-N	300.343	1.764	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN[C@H]2CCCC[C@H]2C)n1	172481055	YBDXDTNPJQCFGY-PWSUYJOCSA-N	324.450	1.310	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@H](C)C(=O)NNc1ccc(Cl)nn1	173704919	HOTWGIXIOZQZJO-QMMMGPOBSA-N	322.800	1.802	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2C[C@H]2c2ccco2)c1	121179680	BQKRLOGQEOYJQG-ZIAGYGMSSA-N	313.357	1.910	50	20	DDGD	
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NNc1ccncc1	183012813	GBTNSUZHXQFVMH-UHFFFAOYSA-N	301.306	1.813	50	20	DDGD	
Cc1noc(-c2ccccc2)c1NC(=O)NNC(=O)CCO	126351957	ZEXOBMTXBXIRBP-UHFFFAOYSA-N	304.306	1.185	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)c2ccc(Cl)nc2)n[nH]1	77249445	IDNWGQCHGNRZBN-UHFFFAOYSA-N	307.741	1.656	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)Cn1ccc2ccccc21	184720535	QISYXDLCFNFRJN-UHFFFAOYSA-N	317.389	1.851	50	20	DDGD	
Cc1cc(C(=O)NNc2cc(C)nc(C)n2)c(N)c([N+](=O)[O-])c1	129114950	JXDSITNXMXYJPB-UHFFFAOYSA-N	316.321	1.649	50	20	DDGD	
Cc1cc2c(cc1C)[C@H](C(=O)NNc1ncnc3nc[nH]c13)CO2	184476677	BIISSTDJHWNNBJ-LLVKDONJSA-N	324.344	1.589	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)C[C@@H]1C=CCC1	125530942	MDSAGYPOCWAFAA-LLVKDONJSA-N	306.387	1.988	50	20	DDGD	
CCOC(=O)CCCNC(=O)c1c(C)nn(CCCl)c1C	72864098	YYOXBMZXZOMJCP-UHFFFAOYSA-N	315.801	1.812	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NNc2ccncc2)C1	180463022	FQBKYKWUOWVHJZ-STQMWFEESA-N	304.394	1.809	50	20	DDGD	
O=C(C[C@@H]1CCS(=O)(=O)C1)NNc1c(F)cccc1Cl	184655506	XHIOSZWKNNGBNN-QMMMGPOBSA-N	320.773	1.747	50	20	DDGD	
O=C(CN1CSCC1=O)NNc1c(F)cccc1Cl	184692594	HYBLBIQJHLRAND-UHFFFAOYSA-N	303.746	1.455	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)NC[C@@H]2CCOC2)c1	47068215	PFVJMBNUIFRZHK-ZDUSSCGKSA-N	321.377	1.049	50	20	DDGD	
Cn1cc(CC(=O)NNC(=O)c2ccc(Cl)cc2F)cn1	81029225	MDJGOLKZENEGJE-UHFFFAOYSA-N	310.716	1.216	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)C(=O)Nc2ccc(F)cn2)c1	194041397	GPSRRDBAXCRTMW-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)C(F)(F)c2ccccc2)n1	44973930	FCRDKFGQLVCADN-UHFFFAOYSA-N	322.315	1.439	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1c[nH]nc1C1CC1	190340745	FXRUOCBHQLUOOG-UHFFFAOYSA-N	300.318	1.371	50	20	DDGD	
Cc1ccc(-c2ocnc2C(=O)NNC(=O)C(C)(C)O)cc1	190060521	POFBYIRIOKIUSJ-UHFFFAOYSA-N	303.318	1.182	50	20	DDGD	
Cc1ncc(CO)c(C=NNC(=O)c2ccccc2O)c1O	254856204	RZXVCUICPDAYPX-UHFFFAOYSA-N	301.302	1.057	50	20	DDGD	
O=C(/C=C\c1ccc(Cl)cc1)NNC(=O)Cc1cc[nH]n1	255118637	OWZHIYXNYDAXFW-UTCJRWHESA-N	304.737	1.466	50	20	DDGD	
C[C@H](NC(=O)NNc1ncnc2ccsc12)[C@@H]1CCOC1	268887240	ODHYAQZYIBUEAK-DTWKUNHWSA-N	307.379	1.742	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21	268472460	GONABSFSBGVKMI-KFWWJZLASA-N	317.389	1.897	50	20	DDGD	
CO[C@@H](C)CCNC(=O)NNC(=O)c1cc2ccccc2o1	267399668	YEMYLVYXBRUOES-JTQLQIEISA-N	305.334	1.802	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)n1	269998932	XPQMLYRDOVJXNH-YUSALJHKSA-N	319.365	1.069	50	20	DDGD	
CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N1CC=C(C#N)CC1	273903916	SPOGSGHOSCHTQW-LBPRGKRZSA-N	323.418	1.979	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2CCO[C@H](CC(C)C)C2)n1	272092967	LIOFGMUUPYJXEN-VXGBXAGGSA-N	323.397	1.705	50	20	DDGD	
CCOCc1ccc(CNS(=O)(=O)CBr)cc1	271412394	PRBYFXNDKWILIJ-UHFFFAOYSA-N	322.224	1.995	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	366845059	DCULDWRURJEKEP-AXFHLTTASA-N	311.382	1.683	50	20	DDGD	
C[C@@H](NC(=O)C1CCCC1)C(=O)NNc1nnc(C2CC2)s1	273635448	SCPACPQNXNWNKK-MRVPVSSYSA-N	323.422	1.554	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1cccc(OC2CCCC2)c1	274072050	PKUIIWKZARQJCA-UHFFFAOYSA-N	305.334	1.114	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1F	274250059	ZMKSURBLHSAWQX-UHFFFAOYSA-N	315.732	1.611	50	20	DDGD	
CN(CC(C)(CO)CO)/C(=C/C#N)c1cccc([N+](=O)[O-])c1	270329709	LEHMYUXSIAXITO-MKMNVTDBSA-N	305.334	1.382	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H](C)OC[C@@H]2CCCCO2)n1	272521643	LFNVUBQINFXAPF-NEPJUHHUSA-N	309.366	1.508	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)Nc1ccccc1	283789207	SUUCGXMBODDTKK-UHFFFAOYSA-N	320.393	1.782	50	20	DDGD	
Cn1cc(Oc2ccccc2C(=O)NNC(=O)C2CCC2)cn1	283372323	ZESLRMICJSSLML-UHFFFAOYSA-N	314.345	1.774	50	20	DDGD	
CC(C)[C@@H](O)C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	285192296	VKUCYWGBGRFLII-TVQRCGJNSA-N	310.419	1.651	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	285463131	NHVRAGKRVMRPBL-HNNXBMFYSA-N	303.318	1.159	50	20	DDGD	
COC(=O)COCC(=O)NNc1cc(Cl)ccc1Cl	289038748	BHAYERBARIEDOP-UHFFFAOYSA-N	307.133	1.626	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2nccnc2C2CCC2)CCC1	286960521	LDPLAALBVJQWCH-UHFFFAOYSA-N	324.406	1.155	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C(=O)c1ccc(O)cc1	805376692	GETGLNZFOMBMRI-UHFFFAOYSA-N	315.285	1.935	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc3c([nH]2)CCCC3)nc1	295607870	VALQIVDUTNYLRJ-UHFFFAOYSA-N	314.345	1.832	50	20	DDGD	
CS(=O)(=O)Nc1cccc(C(=O)NNc2ncccc2F)c1	804216568	VHLOWWWAQQKIJU-UHFFFAOYSA-N	324.337	1.349	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2ccc(N)cc2)n(C)c1C	800805195	KSJIDCIUKLTMIZ-UHFFFAOYSA-N	314.345	1.466	50	20	DDGD	
CSSCCNC(=O)[C@H](C)Sc1nnnn1C1CC1	803472393	AYZUHLQQSGPHJV-ZETCQYMHSA-N	319.481	1.616	50	20	DDGD	
O=C(NCC(Cl)Cl)c1cccnc1N1CCOCC1	294745514	RBSCKZBMNUCJQH-UHFFFAOYSA-N	304.177	1.452	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc3nc(S)oc3c2)O1	293916059	MUGYSJXFMWPYTG-XVKPBYJWSA-N	321.358	1.445	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1cccc(OCCC(=O)O)c1	299323096	MABQGIMKHNGGFK-UKTHLTGXSA-N	319.313	1.637	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)C(=O)Nc2ccccn2)[C@H]1SC	807977480	OQALCURUAASUDS-CMPLNLGQSA-N	322.390	1.033	50	20	DDGD	
CC(C)[C@H](O)C(=O)NNC(=O)CSc1ccc(Cl)cc1	291501631	VIPSPBWMZVCZOP-LBPRGKRZSA-N	316.810	1.596	50	20	DDGD	
COCCCn1cc(C)c(NC(=O)NNC(=O)CC(C)C)n1	297447767	QEDIMRPWQKRESI-UHFFFAOYSA-N	311.386	1.427	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2ccc(O)cc2)n(C)c1C	800805665	XNLAEENMEVRATE-UHFFFAOYSA-N	315.329	1.590	50	20	DDGD	
CCC[C@H](C)C(=O)NNc1ccccc1S(=O)(=O)N(C)C	292285258	LVLCMWKKAYTVNP-NSHDSACASA-N	313.423	1.816	50	20	DDGD	
Cc1c(Cl)cncc1NC(=O)NNC(=O)[C@H]1CCCCO1	297157609	SLLXOBSTWYRWKC-LLVKDONJSA-N	312.757	1.765	50	20	DDGD	
N#Cc1ccc(Cl)c(C(=O)NNC(=O)[C@@H]2CCCCO2)c1	295613404	QXLTYBDWDZSCKL-LBPRGKRZSA-N	307.737	1.542	50	20	DDGD	
Cn1cc(C(=O)NNc2ncccc2F)c(C(F)(F)F)n1	804210889	AJYKFBXQCQNGMF-UHFFFAOYSA-N	303.219	1.730	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)Nc1ccc2c(c1)OCO2)C1CC1	813574547	DDVYUCFMDBIJFO-HNNXBMFYSA-N	321.333	1.383	50	20	DDGD	
O=C(CSc1nnc(O)nc1O)NN=C1CC[C@H]1C1CCC1	814784554	LYJZHWCHYTXUKL-QMMMGPOBSA-N	323.378	1.057	50	20	DDGD	
O=C(NNc1ncncc1F)c1cnc(-c2ccccc2)nc1	817070187	GLWXBAPUWQWDLV-UHFFFAOYSA-N	310.292	1.830	50	20	DDGD	
Cc1cc(NC(=O)[C@H](C)SCC(=O)NN(C)C2CC2)no1	819640930	HJIMUZHAWHGVNS-VIFPVBQESA-N	312.395	1.169	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2cc(F)cc(F)c2)o1	810489925	MSTXJOPFGPRYGT-UHFFFAOYSA-N	310.256	1.706	50	20	DDGD	
CSCc1cnc(C=NNC(=O)Cc2cc(C)[nH]n2)s1	814788291	MRYWQFBQDIGKLW-UHFFFAOYSA-N	309.420	1.730	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1nc2ccccc2cc1Cl	810333415	ALZWYTMISVQXLN-UHFFFAOYSA-N	306.753	1.211	50	20	DDGD	
CCC(CC)(CNS(=O)(=O)CBr)C(=O)O	818430228	GAIRLSQQOKKYDQ-UHFFFAOYSA-N	302.190	1.149	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@@H]1CCc2cccnc21	816828803	PNGUPVMGOBQKQA-CQSZACIVSA-N	313.332	1.641	50	20	DDGD	
CC(C)S(=O)(=O)CCNC(=O)NNc1cccc(C#N)c1	812441240	WGBUXUMAICYCCI-UHFFFAOYSA-N	310.379	1.008	50	20	DDGD	
O=C(CS(=O)(=O)C1CC1)NNc1cc(Cl)nc(Cl)c1	819746976	IHRGQSHEBGAHLO-UHFFFAOYSA-N	324.189	1.409	50	20	DDGD	
COCC(=O)NN=C(C)c1oc2cc(C)ccc2c1CC(=O)O	814871278	MXFJFFVAKBXQGO-UHFFFAOYSA-N	318.329	1.855	50	20	DDGD	
COc1ccncc1NC(=O)C(=O)NNc1cccc(Cl)n1	815728629	MUHLGECGHDDZRQ-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)N2CC[C@H]2CO)cc1	1340418671	WHDLIBVQDLIRGX-ZDUSSCGKSA-N	305.378	1.405	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	812447137	PASIUXCQMJMLPP-QWRGUYRKSA-N	324.377	1.383	50	20	DDGD	
O=C(NN=C1COc2ccc(Cl)cc21)C(=O)N1CCCC1	814824796	KXDRZLFCDWQQMT-UHFFFAOYSA-N	307.737	1.175	50	20	DDGD	
CC(=O)N/C(=C\c1cccs1)C(=O)NNC(=O)CC1CC1	817606599	OXTMOVCVZQLLSX-WQLSENKSSA-N	307.375	1.173	50	20	DDGD	
O=C(CSC[C@H]1CCCCO1)NNC(=O)C1CCCC1	727304911	RKCVUNGXWBOAOR-GFCCVEGCSA-N	300.424	1.626	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@@H]1CCCCC1(F)F	826884083	BAYZNINUEGLVAB-GARJFASQSA-N	319.352	1.567	50	20	DDGD	
COc1cccc([C@@H](OC)C(=O)NNc2nc(C)cc(C)n2)c1	820523799	RFVGFWVQYQWVPY-CQSZACIVSA-N	316.361	1.933	50	20	DDGD	
CC(C)NC(=O)Nc1ccc(C(=O)NN(C)[C@@H](C)CO)cc1	823971584	WRQRSHSLZJHCLY-NSHDSACASA-N	308.382	1.174	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)NNc1ccncn1	496126994	WMDCICNERMPTPT-QWRGUYRKSA-N	321.381	1.613	50	20	DDGD	
C[C@H](SCC(=O)NN(C)[C@H](C)CO)c1nc2ccccc2[nH]1	823988900	YEGLEPPWMSVRSM-MNOVXSKESA-N	322.434	1.701	50	20	DDGD	
CN(NC(=O)c1c[nH]nc1-c1cccnc1)C(=O)OC(C)(C)C	496957599	BGONMLQXRYZDTN-UHFFFAOYSA-N	317.349	1.983	50	20	DDGD	
CC(C)(C)NC(=O)CCNC(=O)NNc1cccc([N+](=O)[O-])c1	728131197	KVOSBYXCSGLSOQ-UHFFFAOYSA-N	323.353	1.526	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)c2ccc(-c3nn[nH]n3)cn2)c1	826264450	OWJJYYNLHIZSLO-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
CCNC(=O)NNC(=O)c1nn(-c2ccccc2CC)cc1O	823799746	VEONVJROASAOMV-UHFFFAOYSA-N	317.349	1.104	50	20	DDGD	
Cc1nnc(CC(=O)NNC(=O)CCOc2ccccc2)s1	824702231	MJKUMHPSNKGBIH-UHFFFAOYSA-N	320.374	1.006	50	20	DDGD	
CC(C)(C#N)CNC(=O)NNc1cccc(-c2nn[nH]n2)c1	824058719	BCKKNPUJKYPUEM-UHFFFAOYSA-N	300.326	1.043	50	20	DDGD	
CCN(CC(=O)NNC(=O)N(C)C)Cc1ccccc1Cl	822854350	KGVAHNXPNWRCEV-UHFFFAOYSA-N	312.801	1.464	50	20	DDGD	
Cn1c(NNC(=O)/C=C\c2cccnc2)nc2ccccc2c1=O	491828368	PSXVRQQQZFVCLN-HJWRWDBZSA-N	321.340	1.485	50	20	DDGD	
O=C(/C=C/[C@H]1CCOC1)NNC(=O)Nc1ccc2c(c1)OCO2	493724275	OPEXUCMWGXLINS-DTWDLQQISA-N	319.317	1.161	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)c1c(C)nc2ccccn12	491790228	XVLUCHMYDZXIPP-UHFFFAOYSA-N	306.329	1.236	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCCNc1cnccn1	490875400	IEWBVYKMIBBBDS-LCYFTJDESA-N	311.320	1.751	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCc2c([nH]c3ccccc23)C1	828505731	WUZIKKACFDJXJI-UHFFFAOYSA-N	314.389	1.329	50	20	DDGD	
COC(=O)NCCC(=O)NNc1ccc(OC(F)(F)F)cc1	493538169	GLKVGTHPXRJTDO-UHFFFAOYSA-N	321.255	1.774	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cccc(C(=O)O)c2)c1	820689456	MQTMEJMTXGLYSM-UHFFFAOYSA-N	314.297	1.928	50	20	DDGD	
CNc1ccc(Cl)c(C(=O)NNC(=O)[C@H]2CCCCO2)c1	820999457	OTAPDVJTZUPVRG-GFCCVEGCSA-N	311.769	1.712	50	20	DDGD	
C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2cccc(B(O)O)c2)o1	584927063	LEDDZXDANGUWHM-NHYWBVRUSA-N	313.162	1.355	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)[C@@H]2CCCCO2)c(F)c1	905476457	IHYZDUKLJAGADT-ZDUSSCGKSA-N	308.309	1.632	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1	495760074	GAUKXCZUBQGRIU-UHFFFAOYSA-N	315.333	1.692	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	495764844	ZUQLTVZFIWTOTQ-UHFFFAOYSA-N	319.277	1.124	50	20	DDGD	
C[C@]1(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)C[C@H]1Br	908208031	WNAKKXYGHXRSCK-NGZCFLSTSA-N	324.240	1.101	50	20	DDGD	
O=C(NNc1cc(F)ccc1Br)[C@H]1C[C@@H](O)C1	823600546	TZFGHNFYCJXFQK-WRXNHJIOSA-N	303.131	1.802	50	20	DDGD	
CC(C)Cc1cc(NC(=O)/C(C#N)=C\c2cnn(C)c2)n(C)n1	822883705	MRORZSRPQRBLFR-MLPAPPSSSA-N	312.377	1.898	50	20	DDGD	
O=C(c1c[nH]nc1-c1cccc(Cl)c1)N1CC[C@H](B(O)O)C1	585071670	YXUSLMPYEMIYRB-JTQLQIEISA-N	319.557	1.419	50	20	DDGD	
O=C(c1cnc(Cc2ccccc2)s1)N1CC[C@H](B(O)O)C1	585064042	BRCPAMCVULTOLK-LBPRGKRZSA-N	316.191	1.423	50	20	DDGD	
CN(C)c1cc(C(=O)NN=C2CCN(C(=O)O)CC2)ccn1	737373699	GAOSITOSGYIVLV-UHFFFAOYSA-N	305.338	1.007	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@@H]1CCCC[C@H]1[C@@H]1CCCO1	584911138	GKSLBHZWYLDJNR-OAGGEKHMSA-N	317.194	1.290	50	20	DDGD	
Cc1ccc2c(c1)C(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)CC2	730946679	IHHVQQWHQSTLLX-LBPRGKRZSA-N	321.402	1.132	50	20	DDGD	
Cc1nc(-c2ccc(C(=O)N3CC[C@H](B(O)O)C3)cc2)cs1	585063979	ATUDUWIRUNPMRR-ZDUSSCGKSA-N	316.191	1.807	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@H]1CCCN(O)C1=O	820471533	YTSFBRDYEVCCKY-JGVFFNPUSA-N	307.188	1.292	50	20	DDGD	
C[C@]1(C(=O)N[C@@H](CO)Cc2ccncc2)C[C@@H]1Br	907668360	AHLPXUIBHGMBNB-MDZLAQPJSA-N	313.195	1.275	50	20	DDGD	
Cc1cccn2cc(C(=O)NNC(=O)[C@@H]3CCCCO3)cc12	820942287	UBAZWDFNGGXMRD-AWEZNQCLSA-N	301.346	1.578	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2cnc3ccccc3n2)ccn1	731561938	DRTXLTYPLOOGGB-UHFFFAOYSA-N	320.356	1.855	50	20	DDGD	
C/C=C\COc1cccc(CC(=O)NNC(=O)NCCC)c1	822800339	VDKPNIIHBMIMSE-HYXAFXHYSA-N	305.378	1.924	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)Cc1c(F)cccc1Cl	496106003	XJRQDFSKGDEGAX-UHFFFAOYSA-N	310.734	1.512	50	20	DDGD	
Cc1cc(NNC(=O)CCC(N)=O)ccc1Br	907094739	RUJKVVJCWABKSR-UHFFFAOYSA-N	300.156	1.466	50	20	DDGD	
CCN(C(=O)c1ccc(B(O)O)c(F)c1)[C@H](C)c1cccnc1	584952696	WEBVLCGQCPULFQ-LLVKDONJSA-N	316.141	1.124	50	20	DDGD	
COCCN(C)NC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1	837623115	HRRILRGHEDURRH-KRWDZBQOSA-N	319.405	1.291	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)cc1C	908517755	PMBFMGJNUUOFHF-AWEZNQCLSA-N	304.346	1.528	50	20	DDGD	
CC1=C(C)C(=O)N(CCC(=O)NNc2c(F)cccc2F)C1=O	901162180	GDEFTZDIWYIHCS-UHFFFAOYSA-N	323.299	1.503	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@@H]2C[C@H]2C(C)C)c1	838760686	CIOBOOYGYORPMG-UONOGXRCSA-N	305.378	1.749	50	20	DDGD	
CN(C)c1ncc(CNC(=O)[C@]2(C)C[C@@H]2Br)n1C	906667433	WFDFNMZAOYKSIM-JOYOIKCWSA-N	315.215	1.276	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H](C)CC(=O)O)c1	832926679	ZIVVRKLFYPIZGN-SNVBAGLBSA-N	309.391	1.732	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NN[C@H](C(=O)O)c1cccnc1	833116788	GYSMEBFKIVGDCG-AWEZNQCLSA-N	319.748	1.724	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCSC[C@H]1C1CC1	831778520	QVKFKIPITUJIPQ-AAEUAGOBSA-N	313.467	1.396	50	20	DDGD	
C=CCN(Cc1cccc(C#N)c1)[C@H](C)C(=O)NNC(=O)CC	731849660	CLYLGKPMAGGYRN-CYBMUJFWSA-N	314.389	1.492	50	20	DDGD	
CCSc1cc(CNCc2ccc(B(O)O)cc2F)ccn1	585036293	CTYPTNLSWDAGEF-UHFFFAOYSA-N	320.198	1.302	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H]2CCC[C@H](C(=O)O)C2)n1	833000830	PSNDQIKRUQYZJO-BDAKNGLRSA-N	312.757	1.773	50	20	DDGD	
O=C(c1ccc(OC(F)F)c(Cl)c1)N1CC[C@H](B(O)O)C1	902551716	IMSYNSSGCFWEKG-QMMMGPOBSA-N	319.500	1.630	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)NC(=O)[C@]1(C)C[C@H]1Br	909234631	DNJMDLRDUHDRRQ-HLUHBDAQSA-N	300.200	1.641	50	20	DDGD	
C[C@@]1(C(=O)NCCc2nnc(S)o2)C[C@H]1Br	907460460	ALOJGEGRCCJOGI-MLUIRONXSA-N	306.185	1.191	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)NNC(=O)C(C)(C)c1ccccc1	731175463	YARMMHXYIASEBR-UHFFFAOYSA-N	305.378	1.026	50	20	DDGD	
Cc1nn(Cc2ccccc2)c(C)c1CN1CC[C@H](B(O)O)C1	585077281	SWUXXNYHRJQQLC-INIZCTEOSA-N	313.210	1.597	50	20	DDGD	
C[C@]1(C(=O)NCCCN2CCCCC2=O)C[C@@H]1Br	906599597	PKLKDAYUMMBMLH-GWCFXTLKSA-N	317.227	1.679	50	20	DDGD	
COCC(=O)NN[C@@H](C(=O)OC)c1cccc(C(F)(F)F)c1	905765235	BKMDBIKQISXNQI-LLVKDONJSA-N	320.267	1.187	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCO[C@@H](C(=O)O)C1	836716527	WUPMBSWEQSLYGX-SFYZADRCSA-N	308.172	1.108	50	20	DDGD	
CC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)c1cncs1	734747336	XYTQTSBSULNFRR-UHFFFAOYSA-N	305.319	1.788	50	20	DDGD	
Cc1ccc(Cl)c(OCC(=O)NNC(=O)c2cnn(C)c2)c1	735445413	TVVJNWUTUNNGNY-UHFFFAOYSA-N	322.752	1.222	50	20	DDGD	
CSCCNC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836202002	HSEIEPBTXCWEIA-UHFFFAOYSA-N	312.351	1.114	50	20	DDGD	
CCC(C)(C)OCCNC(=O)NNc1cncc(Cl)n1	838739291	DQQUMWVCOBXMFG-UHFFFAOYSA-N	301.778	1.961	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1CCC[C@H]1C1CCCC1	584933701	JSZIFCLWRRWPMQ-HNNXBMFYSA-N	305.158	1.300	50	20	DDGD	
CO[C@@H](C=NNC(=O)COc1cccc(C)c1)C1CCOCC1	834923019	UKGAWKLWDRUSTC-INIZCTEOSA-N	320.389	1.917	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)c2ccc3c(c2)OCO3)o1	915940834	DJBMPKJATZWEDA-UHFFFAOYSA-N	316.269	1.559	50	20	DDGD	
O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccsc1	738134015	CNZVJSVUDNXUHP-UHFFFAOYSA-N	314.330	1.003	50	20	DDGD	
C[C@H]1CCCC[C@@H]1N1CCC(=NNC(=O)NCC(=O)O)CC1	833611411	JFUMANVRXSGTKH-AAEUAGOBSA-N	310.398	1.401	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(Br)cc(F)c1O	910182415	HUORJCGMVNHCFY-ZCFIWIBFSA-N	321.146	1.251	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)OCCCCCn2cccn2)cn1	837970658	FTIUNSADUQVATR-GDNBJRDFSA-N	313.361	1.937	50	20	DDGD	
N#Cc1ccc(NNC(=O)Cn2ccc(C(F)(F)F)n2)cc1	748104975	VLTNSEAMBFRTCQ-UHFFFAOYSA-N	309.251	1.917	50	20	DDGD	
CC(Cc1ccsc1)=NNC(=O)Cc1cc(O)nc(O)n1	743446512	YYMYXOQMKWTIPG-UHFFFAOYSA-N	306.347	1.227	50	20	DDGD	
COCCOc1cccc(C=NNC(=O)c2cccn2C)c1	917540735	AZSDOZTYIFANLB-UHFFFAOYSA-N	301.346	1.814	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N[C@H]2CCCSC2)c1	748968855	WZXZLWPPKXVXFA-LBPRGKRZSA-N	304.375	1.398	50	20	DDGD	
COC(=O)[C@@H]1CN(C(=O)NNC(=O)C2CCCC2)C[C@H]1C1CC1	846713841	AQMAGLXSKOAQSS-QWHCGFSZSA-N	323.393	1.048	50	20	DDGD	
C[C@@H]1CN(C[C@@H](C)C(=O)NN=Cc2cccs2)C[C@@H](C)O1	916372604	RZVBHPBEDHIHQP-JHJVBQTASA-N	309.435	1.944	50	20	DDGD	
CC[C@H](C)n1ncc2c(C(=O)NN(C)C[C@H](C)O)cc(C)nc21	910165903	PZEBWJNBBJEITQ-RYUDHWBXSA-N	319.409	1.668	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C[C@@H](C)c1ccc(F)cc1	843642092	DSYRITPABVHSQB-SUNKGSAMSA-N	308.353	1.892	50	20	DDGD	
Cc1nc(C2CC2)ccc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843660075	KLYWYWCNQRCQCV-MFKMUULPSA-N	303.362	1.453	50	20	DDGD	
CO[C@H](C=NNC(=O)CNc1ccc(C)cc1)[C@@H]1CCOC1	841602302	FALYPNQNAWPUDB-UKRRQHHQSA-N	305.378	1.560	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H]2C[C@]23CCc2ccccc23)nc1O	743295811	RNOHFCXIIAKAHO-WBMJQRKESA-N	311.345	1.233	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NN=Cc1ccc(O)c(O)c1O	916352098	WRFQWVSWEOGOBO-UHFFFAOYSA-N	304.277	1.635	50	20	DDGD	
COc1ccccc1C=NNC(=O)[C@@H](C)CN1CCOCC1	916362285	IWZPPDDJBHHBBN-ZDUSSCGKSA-N	305.378	1.114	50	20	DDGD	
Cc1nonc1CC(=O)NNC(=O)CCCc1ccccc1	845422131	PLQMTNADTGFVOH-UHFFFAOYSA-N	302.334	1.091	50	20	DDGD	
CC(C)[C@H](C(=O)O)C(=O)NNc1nc(-c2ccccc2)no1	844249296	LQXHKTYRXFCMLH-JTQLQIEISA-N	304.306	1.537	50	20	DDGD	
O=C(N[C@H]1CCCNC1)[C@@]12CC[C@@H](C[C@H]1Br)C2	846663441	JFIACWKSWHMAGL-MEWQQHAOSA-N	301.228	1.808	50	20	DDGD	
CC(C)NCCCNC(=O)NNC(=O)c1cccc(Cl)c1	841934209	RQCGEWOXBVRSER-UHFFFAOYSA-N	312.801	1.672	50	20	DDGD	
COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NN)cc1	917371573	GPTJLNJNVIRLQE-UHFFFAOYSA-N	321.358	1.100	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)C1CCN([C@@H]2CCSC2)CC1	847690568	MRHCRJMJVUURJW-CQSZACIVSA-N	306.435	1.164	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C2(C#N)CCCC2)cc1	846370691	PIXBBWZESGWLDJ-UHFFFAOYSA-N	301.346	1.929	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cnn(C(C)(C)C)c1	740763071	WFNILHUBTWZCRK-UHFFFAOYSA-N	307.398	1.393	50	20	DDGD	
CC(CCc1ccccc1)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	920382453	YBRTXIQXMTXGHS-CQSZACIVSA-N	323.418	1.481	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCc1nc2c(s1)CCC2	924582830	UYDHLDNJGZFPAD-UHFFFAOYSA-N	312.395	1.871	50	20	DDGD	
Cc1ccc(NC(=O)NN(C)C(=O)N2CCNCC2)c(C)c1	841001833	WXRNJBZNCVZMRI-UHFFFAOYSA-N	305.382	1.297	50	20	DDGD	
O=C(NC[C@H]1CCCCN1)NNc1cc(F)c(F)c(F)c1	841919633	DIOSFTYYLIJXEK-MRVPVSSYSA-N	302.300	1.872	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(F)c(F)c1F)[C@@H](C)S(C)(=O)=O	841408236	JIUGKIUAALTNDJ-NKWVEPMBSA-N	324.324	1.616	50	20	DDGD	
CO[C@H](C)[C@H](C)NC(=O)NNc1ncc(Br)cn1	847356706	HLUQXRHCJPXUKL-NKWVEPMBSA-N	318.175	1.289	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@@H]1C[C@@]12CCCNC2	848396938	YGTKGGCJRSVJRH-LKFCYVNXSA-N	303.391	1.524	50	20	DDGD	
COc1nc2ccccc2cc1C=NNC(=O)N1CCOCC1	755672748	NYDWVORRFLKUMP-UHFFFAOYSA-N	314.345	1.619	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](C)C[S@](C)=O	753150532	FVJMBZFFMPHWEH-RLBGWGEZSA-N	305.831	1.236	50	20	DDGD	
Cn1cc(C(=O)NNC(=S)NCC2CCC2)c(C(F)F)n1	855090657	KIOCBCYFQKWXKP-UHFFFAOYSA-N	317.365	1.267	50	20	DDGD	
NC[C@H]1OCC[C@@H]1C(=O)NNc1c(Cl)cccc1Cl	852808317	SAZLHHDGMCUBPV-OIBJUYFYSA-N	304.177	1.800	50	20	DDGD	
N#CCOc1cc(F)ccc1NC(=O)NNC(=O)CC1CC1	757682037	JOGDUCPPTZFYPF-UHFFFAOYSA-N	306.297	1.681	50	20	DDGD	
O=C(NNc1cc(F)cc(Cl)c1)[C@@H]1CCc2nncn2C1	855620476	WAWMLASRUYTJQX-MRVPVSSYSA-N	309.732	1.776	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)c1C	855624581	BXXKLHNKLGQTHJ-MRVWCRGKSA-N	304.346	1.650	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@H](CC(=O)O)CC(C)C	851653319	HEOINQACHPIWRI-NSHDSACASA-N	301.387	1.500	50	20	DDGD	
C[C@@H]1C(=O)Nc2cc(C(=O)NNc3cccnn3)ccc2N1C	750243098	WZWPPZIMGMLJGS-SECBINFHSA-N	312.333	1.010	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cccc(N2CCCC2)c1	854683386	PGDUWFYLNLVALP-OAHLLOKOSA-N	317.389	1.617	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@@H]1CCc2nnnn2CC1	854184743	PKSDNRFUCOFLRS-LLVKDONJSA-N	319.344	1.152	50	20	DDGD	
Cc1c(NNC(=O)NCC2(C(=O)O)CCC2)cccc1[N+](=O)[O-]	851654137	QLTHBJIWETUWOI-UHFFFAOYSA-N	322.321	1.784	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(OC(C)C)cc1C	756088983	UITSBAAAZYFNOE-UHFFFAOYSA-N	309.366	1.971	50	20	DDGD	
Cc1ccc(NNC(=O)NCC[C@]2(O)CCCOC2)cc1F	854224345	PKKOOVULQNDJQM-OAHLLOKOSA-N	311.357	1.692	50	20	DDGD	
COC1(C)CCN(C(=O)NNC(=O)c2cccc(F)n2)CC1	852709417	UUVVQQHAANXRJT-UHFFFAOYSA-N	310.329	1.076	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@H](C)N2CCCC[C@H]2C)o1	752365902	XWAANLSXVYHWRX-VXGBXAGGSA-N	322.409	1.795	50	20	DDGD	
Cc1nnc(CNC(=O)NC[C@]2(C)C[C@H]2Br)o1	856848916	DRSVPSUZFFTYAX-XCBNKYQSSA-N	303.160	1.351	50	20	DDGD	
C[C@]1(CNS(=O)(=O)Cc2ccon2)C[C@@H]1Br	856755524	VQRJSVPIOCTDHI-DTWKUNHWSA-N	309.185	1.268	50	20	DDGD	
O=C(NNC(=O)c1cc2n(n1)CCCC2)OCC(F)(F)F	856026226	RDEGQPGQRAVJSK-UHFFFAOYSA-N	306.244	1.153	50	20	DDGD	
CC(=NNC(=O)c1cc[nH]n1)c1cccc(N2CCOCC2)c1	853393144	VSYPLSDCVMXEKF-UHFFFAOYSA-N	313.361	1.400	50	20	DDGD	
N#CSCCCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-]	854362584	TWUINHARWZLJPC-UHFFFAOYSA-N	323.330	1.507	50	20	DDGD	
C[C@@H]1CCCN(CCNC(=O)NNc2ncc(Cl)cn2)C1	856838114	SEVNGWSGKZTHKV-SNVBAGLBSA-N	312.805	1.488	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N(C)CCOCC2CC2)c1	858706232	PAWAREICTNABQU-UHFFFAOYSA-N	311.407	1.769	50	20	DDGD	
C[C@H]1CCCc2ncc(C(=O)NNC(=S)NCC3CCC3)n21	855092810	QORLWDKIQGRCPE-JTQLQIEISA-N	321.450	1.689	50	20	DDGD	
Cc1ncc(C=NNC(=O)Cc2nc3ccccc3n2C)n1C	853270893	QIIIEKRMXUITHI-UHFFFAOYSA-N	310.361	1.308	50	20	DDGD	
CC[C@H]1C[C@@H](C(=O)NNC(=O)c2cccc(Cl)n2)CCO1	857323476	OJKPJXSHYYCCLX-UWVGGRQHSA-N	311.769	1.701	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@H]2C=NNC(=O)c2ccnnc2)cn1	853358627	CCHWGLMDHNSSHH-SMDDNHRTSA-N	314.349	1.094	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)c2cnccn2)C[C@@H]1C	758098449	ROKNDLAIZWLPGB-CMPLNLGQSA-N	304.350	1.562	50	20	DDGD	
CCn1ncc(C(=O)NNc2ccc(C(=O)OC)cc2F)c1C	868819997	MVPDGCKMOSHVHQ-UHFFFAOYSA-N	320.324	1.894	50	20	DDGD	
C[C@H](c1ccccc1F)[C@H](O)C(=O)NNC(=O)[C@H]1CCCCO1	868618980	DLKSTDVDWXCTSC-HONMWMINSA-N	324.352	1.007	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC(C)(C)c2ccc(F)cc2)n[nH]1	867068833	QPGLYBOZBLFYBS-UHFFFAOYSA-N	318.352	1.986	50	20	DDGD	
COc1ccc(CC(=O)NNc2nccc(OC)n2)c(C)c1	930077945	WCZKKTNQSQDFGH-UHFFFAOYSA-N	302.334	1.488	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=C2CCCc3c(Cl)cccc32)N1	863153603	XGPGHWKPYRAGJA-ZDUSSCGKSA-N	305.765	1.775	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CCC(=O)N1)c1cc(Cl)ccc1OC	863148378	AMNCFCYZZHSKDY-GFCCVEGCSA-N	323.780	1.858	50	20	DDGD	
CC(=O)Nc1ccc(S(=O)(=O)NCC(Cl)Cl)cc1	867469609	AQVITSKMMNGONI-UHFFFAOYSA-N	311.190	1.727	50	20	DDGD	
CCC[C@@]1(CO)CCCN1[C@H](C)C(=O)NNC(=O)CC(C)C	769912500	FCVZXKSJMRVQML-CJNGLKHVSA-N	313.442	1.195	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cc(Br)c2nccn2c1	864444168	WNVHIWSTCNPFCY-UHFFFAOYSA-N	323.150	1.268	50	20	DDGD	
O=C(CCCOc1ccc2c(c1)OCO2)NNc1cnccn1	768064543	NEFWTNWFVGNHFS-UHFFFAOYSA-N	316.317	1.508	50	20	DDGD	
C[C@H](NNC(=O)[C@@H](C)Oc1ccc(C=O)cc1)C(F)(F)F	862319528	GQIMDLFLWKMUOP-BDAKNGLRSA-N	304.268	1.838	50	20	DDGD	
O=C(NNc1cccc(F)c1Cl)[C@@H]1CC(=O)N(C2CC2)C1	862506482	ZISLGTDEFBRQCU-MRVPVSSYSA-N	311.744	1.933	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1ccc2oc(=O)ccc2c1	760307523	DBBCXRPJOMBMCR-UHFFFAOYSA-N	315.264	1.871	50	20	DDGD	
Cc1cc(C(=O)NNc2nc3ccccc3[nH]2)n2nc(C)cc2n1	768515841	VRONIKLNNFQLKA-UHFFFAOYSA-N	321.344	1.979	50	20	DDGD	
Nc1ncccc1C=NNC(=O)c1cnn(-c2ccccc2)c1	764691540	BOIMPYNSQJYVBF-UHFFFAOYSA-N	306.329	1.613	50	20	DDGD	
CCOc1nc(C(=O)N(C)NC(=O)OCc2ccccc2)co1	862290190	PZYIQBQXFRZCGZ-UHFFFAOYSA-N	319.317	1.987	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@@H]2CCC(=O)N2)CN1Cc1ccccc1	863148387	AXYJBANAGIKXRE-DOMZBBRYSA-N	314.389	1.032	50	20	DDGD	
C[C@H](Cc1cccnc1)NCC(=O)NNC(=O)c1cccs1	934236624	QUDOQJAHUWWERP-LLVKDONJSA-N	318.402	1.125	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NNCC(F)(F)C(F)(F)F)cn1	863101619	AHQOVYZEMUSVPW-WAPJZHGLSA-N	323.225	1.145	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCc2ccnn2C)cc(C#N)n1C	762710274	QKOWCIZCLIECOM-RIYZIHGNSA-N	322.372	1.205	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1c(C(F)F)nc2ccccn12	867278454	AIUHLHFRYQCKOT-UHFFFAOYSA-N	311.292	1.578	50	20	DDGD	
CCC(C)(C)C(=O)OCC(=O)NNC(=O)Cc1ccccc1C	767321791	NERWLTOLHMOWDN-UHFFFAOYSA-N	320.389	1.664	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cc2ccccc2o1)C1CCC1	863894876	XBDSSMRXEHXTKQ-UHFFFAOYSA-N	301.346	1.678	50	20	DDGD	
CC(C)(C)[C@H](O)C(=O)NNC(=O)Cc1cccc2ccccc12	764657509	XOBUCZQDFBDCHR-MRXNPFEDSA-N	314.385	1.937	50	20	DDGD	
C/C(=C\C1CCC(C)CC1)C(=O)NNC(=O)C(=O)NC(C)C	864600893	LRRKLSZIMYWZBS-FMIVXFBMSA-N	309.410	1.431	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1sc([C@H]2CCOC2)nc1C	867278453	AILOWHFBRCKUNE-VIFPVBQESA-N	312.395	1.262	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)CCc1cncn1C	862289905	HSZRBWIVKJVZPK-UHFFFAOYSA-N	316.361	1.653	50	20	DDGD	
O=C(NNC(=O)[C@@]1(F)CCOC1)c1ccc2ccccc2n1	1117335768	YQORMOKUSQVDAE-OAHLLOKOSA-N	303.293	1.124	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNC(=S)Nc1cc(C)ccc1F	874946406	IHQBGNQLZWJCOG-CQSZACIVSA-N	311.382	1.779	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1csc(Br)n1	874193419	WHKVABGSIXPXAP-UHFFFAOYSA-N	321.200	1.650	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(C(F)(F)F)c(F)cc1C	879650398	ZLMCSPLGDILJIC-UHFFFAOYSA-N	323.246	1.952	50	20	DDGD	
Cc1ccc(S(=O)(=O)N2CC=C(C#N)CC2)c(C)c1C(=O)O	871934812	MDIFQTDWUFLVLE-UHFFFAOYSA-N	320.370	1.846	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=S)Nc1ccc(OC)nc1	874955547	SECLCTNVCFFPCQ-CYBMUJFWSA-N	312.395	1.223	50	20	DDGD	
C[C@@H](O)c1ncc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)s1	772989909	JSJGRBYUCDIPGV-MRVPVSSYSA-N	320.330	1.869	50	20	DDGD	
Cc1cc2c(cc1C)[C@@H](C(=O)NNC(=O)CC(F)(F)F)CO2	770224378	ZSTYWZOFZHDZKK-JTQLQIEISA-N	316.279	1.879	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccc(Oc2ccccn2)cc1	1116611217	WOLAHMZYLVXEIT-UHFFFAOYSA-N	316.317	1.409	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](CO)c1ccccc1	778587439	VOHUNJMWWZSLMV-HNNXBMFYSA-N	313.357	1.673	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(OCC(F)F)ccn1	777976145	OEKIDLOPNPVRCU-UHFFFAOYSA-N	316.308	1.470	50	20	DDGD	
O=C(Cc1ccncc1)NN=Cc1cccc(Br)n1	777888577	PEFKHXMMONCYHL-UHFFFAOYSA-N	319.162	1.932	50	20	DDGD	
Cc1ncsc1C(=O)NNc1cccc(S(C)(=O)=O)c1	776541193	JKNPIBNRYLRJEO-UHFFFAOYSA-N	311.388	1.612	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccsc1CC(=O)OC	887149289	QMTFLVRAFNZRCW-UHFFFAOYSA-N	308.359	1.028	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCCc1ccc(S(N)(=O)=O)cc1	786674580	VULFXQRAUYREKK-UKTHLTGXSA-N	320.370	1.280	50	20	DDGD	
CO[C@@]1(C(=O)NNC(=O)C(C)(C)c2ccccc2)CCSC1	888867490	PFZBICXMUYAIQT-INIZCTEOSA-N	322.430	1.634	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2c(O)nnc(C)c2C)c1	780796372	VYSDACXSJPRSCI-UHFFFAOYSA-N	316.317	1.343	50	20	DDGD	
COc1ccccc1C(C)(C)C(=O)NNC(=O)C1CCOCC1	883066069	IYLCSWORIGYNKB-UHFFFAOYSA-N	320.389	1.547	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H](CF)C1)c1nc2ccccc2s1	883768403	WXNCKGIRAKLIMU-SECBINFHSA-N	322.365	1.942	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)Cc2cccnc2)CC(C)(C)C1	784290853	QJXMGDCZOPDFKW-LBPRGKRZSA-N	304.394	1.733	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C/c1ccc(S(C)(=O)=O)cc1	786042984	OQLMRAAOEPAEAN-UKTHLTGXSA-N	313.400	1.779	50	20	DDGD	
COc1cccc([C@H](O)C(=O)NNc2cccc(OC)n2)c1	781024095	RESIQZCXVVACMM-AWEZNQCLSA-N	303.318	1.276	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CN1CCCCCC1=O	780729041	AUNCLXLKVMBQHM-UHFFFAOYSA-N	319.361	1.319	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCN(C2CCCC2)CC1	88937032	SARALKKZRGGRFZ-UHFFFAOYSA-N	308.875	1.895	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)N2CCN(C)CC2)cc1OC	790175363	XYQCRAJQGIHJKV-UHFFFAOYSA-N	320.393	1.385	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@](C)(O)Cc1ccccc1	899994846	BKQNYNYQNSULBT-HNNXBMFYSA-N	309.435	1.274	50	20	DDGD	
C=C(CBr)COC(=O)c1cnc2c(c1)nnn2C	795589100	WPYCDAHIZDBFCC-UHFFFAOYSA-N	311.139	1.471	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2c(F)ccc(O)c2F)ccn1	794510648	WAOQUJVCOLLLST-UHFFFAOYSA-N	320.299	1.895	50	20	DDGD	
Cn1cc(C(=O)CCC(=O)NNc2ccc([N+](=O)[O-])cc2)cn1	793706596	XDHBLSHVQAYEGK-UHFFFAOYSA-N	317.305	1.435	50	20	DDGD	
O=C(CC1OCCCO1)NNc1ccc(Cl)cc1[N+](=O)[O-]	793084234	GOVFHJGCPJWDSG-UHFFFAOYSA-N	315.713	1.844	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)c1cccc(C)n1)c1ccsc1	795467073	IHCQZSGKLAREPI-LBPRGKRZSA-N	305.359	1.600	50	20	DDGD	
COc1cccnc1CC(=O)NNc1ccccc1[N+](=O)[O-]	798168514	JWEQJRRHRHOFCT-UHFFFAOYSA-N	302.290	1.684	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccccc1	796359741	XLGIKFAIOAGJHP-SNVBAGLBSA-N	317.305	1.273	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCC[C@@H](c2ccnn2C)C1	790294500	RPPKYUSAQIGJOF-QWHCGFSZSA-N	322.409	1.601	50	20	DDGD	
Cn1ccc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])cc1=O	791066405	HSGCPKDCRKAQMK-UHFFFAOYSA-N	306.253	1.190	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)CCc1ccc(OC)cc1	795028682	XQXTUXVWXLYOAR-BLLLJJGKSA-N	322.405	1.836	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)Cc2ncccc2F)c1	792030706	QVFQVDQNMWDKNA-UHFFFAOYSA-N	316.336	1.290	50	20	DDGD	
O=C(CC1OCCO1)NNC(=O)c1ccc(Cl)cc1Cl	792829664	WPEYEMVSTFPNHH-UHFFFAOYSA-N	319.144	1.517	50	20	DDGD	
Cc1cc(C)n([C@@H](C)CC(=O)NNc2nc3ccccn3n2)n1	791243821	WTJGYUBRRPVJKH-LBPRGKRZSA-N	313.365	1.637	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC12CCC2)c1cncn1-c1ccccc1	1319185257	XPTAPWROYPEWBX-CYBMUJFWSA-N	310.357	1.824	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCC[C@H](C)CO)cc1	1319528491	HBQNPLZOAGDHDX-NSHDSACASA-N	309.366	1.048	50	20	DDGD	
Cc1nn(C)cc1CCC(=O)NC[C@]1(C)C[C@H]1Br	1328645003	GURSFUYRRBEYHZ-YPMHNXCESA-N	314.227	1.951	50	20	DDGD	
Cc1nn(CC(F)F)c(C)c1C(=O)NNC(=S)NC(C)C	1323876548	FVFOGXPZDLRJPC-UHFFFAOYSA-N	319.381	1.282	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc(N2CCCC2)c1	1329338898	KNGZCADLESXXHK-WFASDCNBSA-N	317.389	1.473	50	20	DDGD	
Cc1cc(C)c(C(=O)NNc2nncc(N)c2Cl)c(O)n1	1322657183	ZGPXPRWXZQGJGQ-UHFFFAOYSA-N	308.729	1.187	50	20	DDGD	
C[C@@H]1CC[C@@H](CC(=O)NNC(=O)c2n[nH]c3c2CCCC3)C1	1332493663	QUSUOJGREWBEHV-GHMZBOCLSA-N	304.394	1.876	50	20	DDGD	
O=C(NNC(=O)[C@]1(F)CCOC1)c1nc2ccccc2s1	1330767220	IZFNFMWALSPJLI-ZDUSSCGKSA-N	309.322	1.186	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1cnn(C2CCC2)c1	1333628337	GZEUAHOAZBDTGT-UHFFFAOYSA-N	313.361	1.481	50	20	DDGD	
CC(C)OCCCNC(=O)/C(C#N)=C/c1nn(C)cc1Cl	1353989524	PACUZAZHJKARDY-YRNVUSSQSA-N	310.785	1.912	50	20	DDGD	
Cc1nccn1CCCC(=O)NNc1ccc(C(=O)O)cc1F	1607990247	AIGOAWUSUMECFK-UHFFFAOYSA-N	320.324	1.952	50	20	DDGD	
Cc1n[nH]c(C)c1CCC(=O)NNc1ccc(C(=O)O)c(F)c1	1600667192	BXFSLRUERBGCDO-UHFFFAOYSA-N	320.324	1.940	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2nc(O)c3ccccc3n2)o1	1602324398	MHDKPTDIOQASKG-UHFFFAOYSA-N	314.257	1.384	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNc2ccc(CC(=O)O)cc2)n1	1600598032	KNNPJLPFFWJVQH-NSHDSACASA-N	316.361	1.598	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CC23CCOCC3)cc1C(=O)O	1607809783	DFMBVPGDRFULLG-CYBMUJFWSA-N	304.346	1.953	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)NCc2ccc(F)cn2)cc1	1602128210	OCWZLMKGPSGUCG-UHFFFAOYSA-N	318.308	1.674	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NN[C@@H](CC)C(=O)O)cc1	1605697735	MWVZHLHZHKWULG-GWCFXTLKSA-N	310.350	1.337	50	20	DDGD	
COCCN(CCC(=O)O)C(=O)[C@@]1(C)C[C@H]1Br	1604597835	OEGZTJUANSMWIX-KCJUWKMLSA-N	308.172	1.110	50	20	DDGD	
Cc1nc(N(C)C)sc1C(=O)NNc1ccccc1C(=O)O	1600708244	HEOBWJJMMOECHI-UHFFFAOYSA-N	320.374	1.973	50	20	DDGD	
O=C(N=c1cc[nH]cc1[N+](=O)[O-])NNc1cccc(C(=O)O)c1	1601558618	BUEWZURTADYULP-UHFFFAOYSA-N	317.261	1.259	50	20	DDGD	
O=C(Cc1ccccc1CO)NNc1ccc(C(=O)O)c(F)c1	1601369077	DTAOJKHYSGNTOB-UHFFFAOYSA-N	318.304	1.702	50	20	DDGD	
O=C(O)c1cncc(C(=O)NNc2ccc([N+](=O)[O-])cc2)c1	1602535729	MQQKVIGGRGSPTJ-UHFFFAOYSA-N	302.246	1.445	50	20	DDGD	
O=C(O)[C@@H]1[C@H](O)CCCN1C[C@H](CBr)C1CC1	1601758120	LIGOJQIYFFUCTE-AXFHLTTASA-N	306.200	1.317	50	20	DDGD	
CC(C)[C@@H](C(=O)O)C(=O)NNC(=O)c1ccc2ccccc2n1	1602970502	WEXMNGNTAUOKSD-CYBMUJFWSA-N	315.329	1.353	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)c1Cl	1601217671	AOAIYXAONDQYQE-NKWVEPMBSA-N	313.745	1.046	50	20	DDGD	
O=C(CNc1ccccc1F)NN=Cc1ccoc1C(=O)O	1601329555	BAJWBHVXXODQKO-UHFFFAOYSA-N	305.265	1.679	50	20	DDGD	
O=C(COCc1cccnc1)NNc1cccc(C(=O)O)c1F	1601339220	FAGVZJRMCVPZTM-UHFFFAOYSA-N	319.292	1.579	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)CCC(C)C)ccc1C(=O)O	1607178412	MSJGLGZGLKKWHE-UHFFFAOYSA-N	323.349	1.982	50	20	DDGD	
C[C@@H](CC(=O)O)CC(=O)NNC(=O)c1ccc2ccccc2n1	1604105742	DIAYJOFYSBZRSZ-SNVBAGLBSA-N	315.329	1.497	50	20	DDGD	
Cc1c(C(=O)NNc2cccc(C(=O)O)c2)nnn1C(C)C	1610407610	IYZAQOYMOQRQNX-UHFFFAOYSA-N	303.322	1.623	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCC[C@](C)(C(=O)O)C2)cn1	1610600928	CVDCEUCIILUWAX-GIXCSOPHSA-N	302.334	1.040	50	20	DDGD	
CC(Cc1cccc(F)c1)=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549316253	FKWFXKPWHYQYSC-HZPDHXFCSA-N	319.380	1.724	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1nc(C(C)(C)C(=O)O)cs1	1610010298	CDOBOFBAURPNIQ-SOFGYWHQSA-N	309.347	1.888	50	20	DDGD	
Cc1c(NNC(=O)CCSCC(=O)O)cccc1[N+](=O)[O-]	1610426729	BJRYTIDKNNZBSP-UHFFFAOYSA-N	313.335	1.554	50	20	DDGD	
O=C(NNc1ncccc1F)C(=O)Nc1ccsc1C(=O)O	1610700083	KLDTWBDHGSHUIR-UHFFFAOYSA-N	324.293	1.062	50	20	DDGD	
O=C(NN=Cc1nc(Cl)cs1)[C@H]1CN2CCC[C@H]2CO1	1549318054	AAGIDBANXKKZSN-DTWKUNHWSA-N	314.798	1.110	50	20	DDGD	
CCCN[C@H](C)C(=O)NNc1ncc(Br)cc1C	1577555294	YNGZATSHSILJJS-SECBINFHSA-N	315.215	1.984	50	20	DDGD	
Cc1cc(NNC(=O)c2cnc(C3CCNCC3)o2)nc(C)n1	1579637977	LIZLJNKSDPTJKQ-UHFFFAOYSA-N	316.365	1.305	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)[C@@H]1NCC[C@@H]2CCCC[C@@H]21	1580505598	HASZLZQGDQLOSN-OFQRWUPVSA-N	307.438	1.882	50	20	DDGD	
NC1(C(=O)NNC(=O)CCc2ccccc2)CC2(CCC2)C1	1580139379	PENCMKFJUGZNHS-UHFFFAOYSA-N	301.390	1.428	50	20	DDGD	
CC(C)[C@@H](C(=O)O)C(=O)NNC(=O)c1ccc(Cl)cc1F	1588808164	LRZNUJHODFLCDF-SNVBAGLBSA-N	316.716	1.597	50	20	DDGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)[C@]12CNC[C@@H]1C2	1580739308	COIGSXZHQYVVMR-TVQRCGJNSA-N	315.295	1.680	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2cccc(C(=O)O)c2)c1	1594435991	PVAWEIUUOXSTQF-UHFFFAOYSA-N	304.327	1.830	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC/C=C(/C)C(=O)O)c1ccccc1	1594737323	TZTBXDHUTMPBHC-PRWOLLLXSA-N	319.361	1.542	50	20	DDGD	
CCC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccn(C)n1	1590359154	PSPLZPGITMERFC-UHFFFAOYSA-N	324.348	1.144	50	20	DDGD	
CCCC[C@@H](O)CCC(=O)NNc1ccc(-c2nn[nH]n2)cc1	1590582057	MCIPOWRZCNBFJC-CYBMUJFWSA-N	318.381	1.641	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)ccc1C	1593882630	NKDGXHGXPGGNCA-MNOVXSKESA-N	320.345	1.726	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@]2(C(=O)O)C[C@H]3CC[C@H]2C3)n1	1594388334	WHMMYRBEQPUHBF-XMZIXOGTSA-N	317.345	1.042	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNc1ccc(C(=O)O)c(F)c1	1596425263	RQPPQLYRDBMJRX-CYBMUJFWSA-N	309.341	1.841	50	20	DDGD	
COc1ccc([C@H](NS(=O)(=O)CCCCl)C(=O)O)cc1	1599532186	VFLFFKWNOHDBHM-NSHDSACASA-N	321.782	1.369	50	20	DDGD	
C[C@H]1CCNC[C@H]1NC(=O)NNc1cccc(C(=O)O)c1F	1594437220	ADHZCUTVUFXELB-GZMMTYOYSA-N	310.329	1.148	50	20	DDGD	
CO[C@]1(C(=O)O)CCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)C1	1599066774	YCBPFUILWDCULR-OQRGYWNNSA-N	318.304	1.435	50	20	DDGD	
CO[C@H]1CC[C@@H](NC(=O)NNc2ccc(C(=O)O)cc2F)C1	1599102113	HLHZZAYJHTUCNA-ZJUUUORDSA-N	311.313	1.718	50	20	DDGD	
O=C(Cc1ccc(-c2nn[nH]n2)cc1)NNc1ccc(F)cc1	1592911490	RYWDMSDPNLFJOP-UHFFFAOYSA-N	312.308	1.692	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)c2cccc(C(=O)O)c2)cc1	1776094961	WSYPMWULHCTWON-UHFFFAOYSA-N	312.281	1.847	50	20	DDGD	
O=C(NCC1CC1)NN=Cc1c[nH]c2c(C(=O)O)cccc12	1776039312	HSJHHIKCIGQTFS-UHFFFAOYSA-N	300.318	1.909	50	20	DDGD	
N#C/C(=C/c1ccc(OCCN2CCOCC2)cc1)C(=O)O	11884280	ZJVBEMPCIPDEFY-KAMYIIQDSA-N	302.330	1.389	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)CNc1ccc(C)cc1	161620166	YVLAJKMYDLKWBP-UHFFFAOYSA-N	301.350	1.085	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2ccc([N+](=O)[O-])cc2)CCC1	152685624	ZVARMZUEEHFFFO-UHFFFAOYSA-N	307.306	1.771	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2(c3ccccc3)CCCC2)[nH]n1	153888497	LYAQVGHIHSIMJD-UHFFFAOYSA-N	312.373	1.991	50	20	DDGD	
CN(CC(C)(C)NC(=O)OC(C)(C)C)S(=O)(=O)CCl	849412924	BBRPYFRBOVYABJ-UHFFFAOYSA-N	314.835	1.748	50	20	DDGD	
C[C@H](CN(C)S(=O)(=O)CCl)NC(=O)OC(C)(C)C	859411108	WYWPFLUYPHDQCV-MRVPVSSYSA-N	300.808	1.358	50	20	DDGD	
Cc1ccnn1-c1ccc(C(=O)NNC(=O)c2ccccn2)cc1	7909819	SUQWWJBMRDZAAO-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1cccnc1)c1ccccc1F	108972600	FOQNMXGCZIYYEE-NSHDSACASA-N	301.321	1.714	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C(=O)NC(C)C)oc2c(C)cccc12	53135991	GOEOGHPDQWJXLM-UHFFFAOYSA-N	317.345	1.335	50	20	DDGD	
CCCN1CC[C@@H](CNC(=O)NNC(=O)OC(C)(C)C)C1	54806320	WIHRUODZPUENBO-NSHDSACASA-N	300.403	1.457	50	20	DDGD	
Cc1ccn2c(=O)c(C(=O)NNC(=O)CC(C)(C)C)cnc2c1	103197759	XRGSRJFZBOAYDC-UHFFFAOYSA-N	316.361	1.200	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCCC[S@](C)=O	116963996	QPIPRDYZUZXHQX-OAQYLSRUSA-N	312.395	1.099	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnc2ccc(F)cc2c1	179889699	RUMMTUSIUGUXHN-UHFFFAOYSA-N	304.350	1.669	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2occc2-c2ccccc2)cn1	117820605	NFWXWDQTDOAKCC-UHFFFAOYSA-N	310.313	1.755	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2cc(C#N)ccc2F)nn1	174029746	AOSIKGPINKPKPC-UHFFFAOYSA-N	300.297	1.622	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cccc(C)c2[N+](=O)[O-])n1	174480970	SSTFQJVQMZEEKJ-UHFFFAOYSA-N	317.305	1.767	50	20	DDGD	
CC(=O)N[C@@H](C)C(=O)NNC(=O)c1c(Cl)cccc1Cl	170814132	BVZHVBWUKMCEGA-LURJTMIESA-N	318.160	1.279	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)C1CC1	68094023	OQTRLHZAYHHTDY-ONGXEEELSA-N	313.398	1.483	50	20	DDGD	
Cc1cccc([C@@H](C)NC(=O)NNC(=O)c2cnn(C)c2)c1C	118077122	ZPXVLNQAJBLJDK-GFCCVEGCSA-N	315.377	1.742	50	20	DDGD	
C[C@H]1C[C@@H]1C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1	170969100	VISRBSBWERMSFE-KWQFWETISA-N	302.309	1.633	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2Cc3cc(F)ccc3O2)nc(C)n1	173833704	YFCSCHDUOWFRJJ-CYBMUJFWSA-N	302.309	1.679	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCc1ccc(OCC)cc1	67464019	PSHVPBDSNMEZFQ-UHFFFAOYSA-N	307.419	1.699	50	20	DDGD	
COCCN(CC(=O)NNC(=O)c1ccccc1)CC(C)C	182044107	ODBYPKWNDPYNCK-UHFFFAOYSA-N	307.394	1.052	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(CSCC)on1	184762529	MSRHJBGMLHHGEQ-UHFFFAOYSA-N	300.409	1.223	50	20	DDGD	
CC(=O)N[C@@H](C)C(=O)NNC(=O)Cc1cccc2ccccc12	73315935	MVUWABHYWXJZOV-NSHDSACASA-N	313.357	1.054	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(CC(=O)NNc2ccccn2)C1	181260411	CMGYQCYSTCKIMF-UHFFFAOYSA-N	306.366	1.782	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCOCC(F)F)cc(C#N)n1C	188049910	ASSIGCPGDORJCE-LFYBBSHMSA-N	322.315	1.510	50	20	DDGD	
O=S(=O)(c1ccc(CCCCl)cc1)N1CC[C@@H](CO)C1	182451536	HWXCDPKBVQSRAD-CYBMUJFWSA-N	317.838	1.861	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@H](c2ccsc2)O1	121036827	NGPLTVVGLSMIJF-ZWNOBZJWSA-N	323.418	1.067	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@H]2CCN(CC(C)C)C2)n1	181450911	ITPIRWJANKOWJX-CYBMUJFWSA-N	321.425	1.694	50	20	DDGD	
COc1nccnc1NNC(=O)c1c(Cl)nc2ccccn12	132047134	AJAVQRUDDKNHGC-UHFFFAOYSA-N	318.724	1.543	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cc(C2CC2)[nH]c(=O)c1	184723894	HEPJXLMQOYPJHC-UHFFFAOYSA-N	314.301	1.917	50	20	DDGD	
CN(NC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1)C(N)=O	181089004	UUJPTAMWNLJBTG-UHFFFAOYSA-N	323.740	1.364	50	20	DDGD	
C=C(C)COCCNC(=O)NNC(=O)CCCc1ccccc1	135040529	MMAPNERBVCKQSJ-UHFFFAOYSA-N	319.405	1.932	50	20	DDGD	
CC[C@@H](C)Oc1ccccc1/C=C/C(=O)NNC(=O)C(C)(C)O	192922250	DLDYNEHAMJLGLA-HCRIHEDKSA-N	320.389	1.795	50	20	DDGD	
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC(Cl)Cl	381499541	FANWTIZNWHYIRH-UHFFFAOYSA-N	317.125	1.816	50	20	DDGD	
CCN(CC)C[C@H](C)NC(=O)NNC(=O)c1ccc(C#N)cc1	141342681	RCAGOUBXKTUOPK-LBPRGKRZSA-N	317.393	1.233	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccccc1C(=O)c1ccccc1	194930571	QAQDKLQXCPGMGB-UHFFFAOYSA-N	311.341	1.834	50	20	DDGD	
COc1ccc(NNC(=O)CCc2ccncn2)c([N+](=O)[O-])c1	192380305	XUTVQVWNPVIIHY-UHFFFAOYSA-N	317.305	1.469	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2ccc(Cl)nc2)n1	193761702	JJBIGWOCCBPLCJ-UHFFFAOYSA-N	306.757	1.968	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cncnc1C(C)C	264550448	XLXYLPKBOLNTSO-UHFFFAOYSA-N	314.345	1.683	50	20	DDGD	
COC[C@@H]1CN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)CCO1	267361054	IFGPLZWGORVKIN-YZWGYMLPSA-N	303.318	1.806	50	20	DDGD	
C[C@]1(CNS(=O)(=O)CBr)CCO[C@H]1C1CC1	368770366	OJUJIMCNVNLANR-VHSXEESVSA-N	312.229	1.463	50	20	DDGD	
CC[C@@H](C)Oc1ccc(NC(=O)C(=O)NNC(=O)C2CC2)cc1	274063337	NPTLBFVZBBCCSZ-SNVBAGLBSA-N	319.361	1.360	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCCn2cccn2)c1	272668443	OPPKUBRMIYHUQA-UHFFFAOYSA-N	317.349	1.386	50	20	DDGD	
CCCCOc1cc(OC)ccc1C(=O)NNC(=O)NC1CC1	274385164	BTMIETKBUUZWTG-UHFFFAOYSA-N	321.377	1.981	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@]1(C)CCCOC1	272595498	DEMIHYUNLUURJO-BZNIZROVSA-N	324.352	1.557	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2CCO[C@@H](CC(C)C)C2)n1	272092965	LIOFGMUUPYJXEN-RYUDHWBXSA-N	323.397	1.705	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@H]1CCc2cn[nH]c2C1	279291800	KYBGRPHIKIERBR-QMMMGPOBSA-N	319.296	1.705	50	20	DDGD	
COC[C@@H](NC(=O)NNc1c(C)cccc1F)[C@H]1CCCO1	279739196	OMIFAXLCJPGYTM-CHWSQXEVSA-N	311.357	1.954	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H](OC)c2cnn(C)c2)cc1	281015411	NDTWDQOFRVLCRA-CQSZACIVSA-N	316.361	1.131	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cc(=O)c2ccc(F)cc2o1	285308471	WSPCUDJDHWSPDQ-UHFFFAOYSA-N	306.293	1.739	50	20	DDGD	
COCCN(C)NC(=O)c1ccn(-c2ccc(OC)cc2)n1	288153319	CFYTWAXELAIVES-UHFFFAOYSA-N	304.350	1.104	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H]2C[C@H](OCC)[C@H]2OC)cc1	298160588	BPEZWCCKQIJKLA-ILXRZTDVSA-N	323.393	1.904	50	20	DDGD	
Cc1oc2ncn(C)c(=O)c2c1C(=O)NNc1cccc(F)n1	804764682	ZUWLPTGYCMQHFM-UHFFFAOYSA-N	317.280	1.126	50	20	DDGD	
C[C@@](O)(CCc1ccccc1)C(=O)NNc1ncncc1F	294235455	ZNHSIKBQTYSOEK-OAHLLOKOSA-N	304.325	1.443	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC1(F)F)c1cc(-c2cccs2)n[nH]1	294892718	IWSMIJLQQBTLQU-ZCFIWIBFSA-N	312.301	1.554	50	20	DDGD	
CC(C)OCc1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)cc1	295636303	SWNMMQUVTRABGT-OAHLLOKOSA-N	320.389	1.942	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ncccn2)c(Cl)cc1F	806984133	MJHNQSUWMAGRBO-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
COC(=O)N(C)NC(=O)CCCNC(=O)OCc1ccccc1	804124871	GRZKIGYPARGEDR-UHFFFAOYSA-N	323.349	1.422	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H]2CCCCO2)c(C)n1	296725989	WTSRUCRIBXJDGX-LLVKDONJSA-N	308.338	1.120	50	20	DDGD	
CC(C)Nc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cn1	293843644	HBFDVAWUGIROFS-JQWIXIFHSA-N	306.366	1.230	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNc2nc(C)cc(OC)n2)c1C	293316053	UQYVWUIAKBQECW-UHFFFAOYSA-N	318.381	1.313	50	20	DDGD	
Cc1cc(N(C)C)ccc1NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	292569694	HFTLPQCCEIHEMN-FZMZJTMJSA-N	320.393	1.781	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccc(-n2ccnc2)nn1)c1ccncc1	804954849	KGEUFCLARWFPHY-LBPRGKRZSA-N	323.360	1.694	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCC2CCC(F)(F)CC2)cn1	800024491	PFIOKIIYSNVIKA-UHFFFAOYSA-N	315.324	1.190	50	20	DDGD	
CC(=NNC(=O)c1c[nH]nc1C)c1cccc(-n2ccnn2)c1	807972872	IOSCPGVSJCQDFI-UHFFFAOYSA-N	309.333	1.453	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2cnccn2)ccc1F	806968021	UXHFZEYTMGUYIM-UHFFFAOYSA-N	303.297	1.260	50	20	DDGD	
CC(C)(C(=O)NNC(=O)Cc1ccc(F)cn1)c1ccccc1	806823932	GSWYVYOVAOIBHM-UHFFFAOYSA-N	315.348	1.888	50	20	DDGD	
O=C(CSc1ccccc1O)NN=C1CCN2CCC[C@H]12	814971489	GWTQZKNZLMWIOJ-GFCCVEGCSA-N	305.403	1.825	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1ccc(-n2cnc3ccccc32)cc1	816632753	XBRTVIPXSMHEAW-UHFFFAOYSA-N	319.328	1.901	50	20	DDGD	
CSSCCNC(=O)N1CCC(F)(F)[C@H](CO)C1	813161122	OGQIDYXRXDFXHR-QMMMGPOBSA-N	300.396	1.657	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CC[C@H](C(=O)O)C[C@H]1C	814854069	CGGGELQSOREZOU-ZJUUUORDSA-N	311.382	1.284	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1Cl	816824325	VXEYBOBRRDJEDH-UHFFFAOYSA-N	322.708	1.662	50	20	DDGD	
CN1CCC(CC(=O)NNc2cc(C#N)cc(Cl)n2)CC1	813506318	FNFFFXZSCKLVTM-UHFFFAOYSA-N	307.785	1.782	50	20	DDGD	
CN1CCC[C@]2(CCN(S(=O)(=O)CCCCCl)C2)C1	815064413	CWZBXHNCOQJFHV-ZDUSSCGKSA-N	308.875	1.753	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1cccnc1Cl	814763255	WXLCBZVBNKATLQ-LLVKDONJSA-N	310.785	1.153	50	20	DDGD	
N#C[C@@H]1CCCC(=NNC(=O)c2ccc(-n3cnnn3)cc2)C1	814756336	MNVYWNUQKBBUHN-LLVKDONJSA-N	309.333	1.462	50	20	DDGD	
CN(C)c1nc(C=NNC(N)=O)c(Cl)n1-c1ccccc1	818196238	LSGUSHSYOUVUNS-UHFFFAOYSA-N	306.757	1.594	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C[C@@H]1OC(=O)c2ccccc21	726538408	JDERCUCJRBIMRQ-ZDUSSCGKSA-N	313.313	1.088	50	20	DDGD	
NC(=O)C(=O)NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])s1	812378624	KFOPTJBTRWLSDL-UHFFFAOYSA-N	318.314	1.259	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1C[C@@H](C)Oc2c(F)cccc21	828958982	HJAVZSZNAPKLBS-SNVBAGLBSA-N	309.341	1.216	50	20	DDGD	
O=C1C[C@H](C(F)(F)F)[C@H](C(=O)NNc2ccccc2F)CN1	821148974	ZHRKKOHJUCUWRB-SFYZADRCSA-N	319.258	1.583	50	20	DDGD	
CC(C)(C(=O)NNC(=O)Cc1cscn1)c1ccccc1	826926978	TZZGQYDVOMXEDQ-UHFFFAOYSA-N	303.387	1.811	50	20	DDGD	
Cc1nn(CC(F)F)cc1C(=O)NN[C@@H](C)C(F)(F)F	826941433	JGJAVPPWCMGFSS-LURJTMIESA-N	300.231	1.642	50	20	DDGD	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1	490725704	JLUMVMRSVSUKHV-UKTHLTGXSA-N	314.341	1.814	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NOCC1CCC1	824022118	IWENWVRDMFJDFY-UHFFFAOYSA-N	321.377	1.690	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)Nc2ccc(N(C)C)cc2)n[nH]1	729690229	UEXULTOBDLZKJZ-UHFFFAOYSA-N	318.406	1.416	50	20	DDGD	
COCCCOCCC(=O)NNC(=O)C(C)(C)c1ccccc1	826926901	QFPLNRMBNDCUKI-UHFFFAOYSA-N	322.405	1.555	50	20	DDGD	
CC(=NNC(=O)CCNC(=O)OC(C)(C)C)c1ccncn1	496138511	FFELAPGHAPIVMA-UHFFFAOYSA-N	307.354	1.232	50	20	DDGD	
CC(=NNC(=O)CCC1CCCCC1)c1cn(CC(=O)O)nn1	825798231	DHYDXAOPKNXKRC-UHFFFAOYSA-N	321.381	1.563	50	20	DDGD	
CCCNC(=O)CN(CCC)C(=O)/C(C#N)=C/c1cnn(C)c1	491043892	ASYPIXOLEYBGAS-RIYZIHGNSA-N	317.393	1.092	50	20	DDGD	
CSc1ccccc1[C@H](C)NCc1ccccc1B(O)O	585038720	DSHYQPBNVIKRAO-LBPRGKRZSA-N	301.220	1.939	50	20	DDGD	
Cc1cccc([C@@H]2CCCN2C(=O)c2cccc(B(O)O)c2)n1	584963610	VYEMBEUGXWULFJ-INIZCTEOSA-N	310.162	1.047	50	20	DDGD	
OB(O)c1ccccc1CNC[C@H]1[C@H]2c3ccccc3CC[C@H]21	585029405	YAJWZTYLMXNNED-SCTDSRPQSA-N	307.202	1.432	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2nccc3sccc23)nc1	734247725	AWMQZDURTCGDAY-UHFFFAOYSA-N	313.342	1.547	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)C(C)(C)C)nn1-c1ccccc1	731609792	XPYQUIFTMBTMQA-UHFFFAOYSA-N	301.350	1.383	50	20	DDGD	
CCOc1ccc(NCc2ccccc2B(O)O)cc1OC	585011948	HSZAZXYXYLSVQK-UHFFFAOYSA-N	301.151	1.386	50	20	DDGD	
CC[C@@H](C)[C@H](NNC(=O)COc1cccc(C)c1)C(=O)OC	905746951	GCDPFEHHNGKLFD-DOMZBBRYSA-N	308.378	1.582	50	20	DDGD	
CC(C)(Cc1cccc(Cl)c1)C(=O)N1CC[C@H](B(O)O)C1	585070853	HCSBEONXBNMOGW-LBPRGKRZSA-N	309.602	1.984	50	20	DDGD	
Cc1ccc(F)c2c1NC(=O)C2=NNC(=O)[C@H]1CCCCO1	834988361	HZRHCXMZJCMYKY-SNVBAGLBSA-N	305.309	1.476	50	20	DDGD	
CC(=O)NC1(C(=O)NN(C)C(=O)OC(C)(C)C)CCCCC1	497024047	ZHBTXRNNEKHAHW-UHFFFAOYSA-N	313.398	1.724	50	20	DDGD	
CC(C)CN(Cc1cnn(C)c1)C(=O)NNC(=O)C1CCCC1	836425232	UPXUAQHEKHYQQU-UHFFFAOYSA-N	321.425	1.809	50	20	DDGD	
COc1ccccc1[C@@H](CC(C)C)NCc1ccc(B(O)O)o1	585027288	ZDSWRXQTOPLAHW-OAHLLOKOSA-N	317.194	1.845	50	20	DDGD	
Cc1cccc([C@@H](C)CNC(=O)NNC(=O)[C@H]2CCCCO2)c1	836323749	JNRZFRIOUSJTGI-DZGCQCFKSA-N	319.405	1.998	50	20	DDGD	
O=C(NN=C1C[C@H]2CCCN(C1)C2)Nc1ccc(C(=O)O)cc1	905448678	BPSAPUROYJONTH-LLVKDONJSA-N	316.361	1.978	50	20	DDGD	
CCCCCNC(=O)COC(=O)/C(C#N)=C\c1cnn(C)c1	837969663	QAHPRLMRRCSSBF-QPEQYQDCSA-N	304.350	1.177	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@]1(C)CC=CCC1	838186086	ZDZDIAKAHDKHTB-MLGOLLRUSA-N	310.394	1.858	50	20	DDGD	
CC1(C)CN(C(=O)[C@@]2(C)C[C@H]2Br)CCN1CCO	907598759	FJTQDXHPNQDOFS-MFKMUULPSA-N	319.243	1.075	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=C/C=C\c1ccccc1[N+](=O)[O-]	585657348	IVJHVCLTOWAJEH-BOYPLJHRSA-O	311.321	1.698	50	20	DDGD	
O=C(CCn1ccnn1)NNC(=O)c1ccc2ccccc2c1	732059262	YVDBNDMVMKPQAS-UHFFFAOYSA-N	309.329	1.283	50	20	DDGD	
Cc1csc([C@H](NCc2ccccc2B(O)O)C2CC2)n1	585027433	SPEVUKNSJSPIBZ-CQSZACIVSA-N	302.208	1.372	50	20	DDGD	
C=C(CC)CNC(=O)NNC(=O)c1cc(Br)c[nH]1	836194558	USYWQACRHLLAHR-UHFFFAOYSA-N	315.171	1.687	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1CCc2cc(OC)ccc2C1	900382563	FTONEQOJILYOTD-CQSZACIVSA-N	319.405	1.931	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)Cc1cccnc1)C1CCCC1	836278325	GPTAAEGOXFPMDO-CQSZACIVSA-N	304.394	1.923	50	20	DDGD	
CCCOc1cc(C=NNC(=O)c2cnn(C)c2)ccc1OC	735411209	QXJPNWHLUGMERD-UHFFFAOYSA-N	316.361	1.981	50	20	DDGD	
COC(=O)c1ccc2c(c1)CN(S(=O)(=O)CCl)CC2	831014448	AUSITJKDWGYXMK-UHFFFAOYSA-N	303.767	1.357	50	20	DDGD	
C[C@]1(C(=O)NCC2(N3CCOCC3)CC2)C[C@H]1Br	907758348	GOOJBGGQWHFMNU-PWSUYJOCSA-N	317.227	1.141	50	20	DDGD	
CC(C)[C@H](NC(=O)O)C(=O)NNc1cnnc2ccccc12	736375845	QNCQJBVNKKOQSL-LBPRGKRZSA-N	303.322	1.365	50	20	DDGD	
CCOCC(=O)NN=Cc1ccc(O)c(Br)c1	731154683	YAEYEIJKKXUKAF-UHFFFAOYSA-N	301.140	1.641	50	20	DDGD	
COc1ccc([C@@H]2C[C@H]2C(=O)NNc2ncc(F)cn2)cc1	831352235	UYNVVUVSJJFIGT-QWHCGFSZSA-N	302.309	1.871	50	20	DDGD	
Cc1cccc(Br)c1C(=O)NN(C)C[C@@H](C)O	910147379	LJEBZMXPFKXNDQ-SECBINFHSA-N	301.184	1.715	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)Nc1nc2n(n1)CCCC2	836774846	PKBSPZHXWLIMOX-UHFFFAOYSA-N	307.745	1.811	50	20	DDGD	
CCOC1(C(=O)NNc2nccnc2C(C)C)CCOCC1	834581468	ZRLLUZBDPJUZIH-UHFFFAOYSA-N	308.382	1.629	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@H]1CSc2ccccc21	735688567	ZSXDFTIUHAYVNF-QMMMGPOBSA-N	304.293	1.976	50	20	DDGD	
CCCCC[C@](C)(CC)C(=O)NNC(=O)CN1CCCC1=O	913732237	NKVJJKZYZRBITP-INIZCTEOSA-N	311.426	1.753	50	20	DDGD	
CO[C@@H]1C[C@@H](NC(=O)NNc2ncc(F)cc2F)C1(C)C	838511143	WSZPKTHETCOTTK-NXEZZACHSA-N	300.309	1.799	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCC[C@@H](O)c2ccccc2)n[nH]1	831423641	DISSLLXFLKNGEH-CQSZACIVSA-N	316.361	1.383	50	20	DDGD	
O=C(NCCc1cn2c(n1)CCCC2)NNC(=O)C1CCCC1	916578745	SWIDQZXHSFSMDZ-UHFFFAOYSA-N	319.409	1.283	50	20	DDGD	
CCO[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccc(C)o1	838726718	KCOPIDGWESAMPV-VXGBXAGGSA-N	309.366	1.880	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCc1ccc2c(c1)OCO2	915932549	QRTHQNJLFQOADQ-UHFFFAOYSA-N	307.350	1.334	50	20	DDGD	
CC(C)(NC(=O)O)C(=O)NNc1cccc(Br)c1	833460763	GKCMHYMOPCKJPM-UHFFFAOYSA-N	316.155	1.938	50	20	DDGD	
COCCN(C)NC(=O)c1nnn(-c2ccc(C)cc2)c1C	837623678	ROONCFFWRDPASO-UHFFFAOYSA-N	303.366	1.107	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)Cc1coc2cc3c(cc12)CCC3	910181409	RYRQDLAIGAUCMR-NSHDSACASA-N	302.374	1.808	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc2ccccc2c(O)n1	747596530	BHURMPIXFKQVDC-UHFFFAOYSA-N	310.313	1.354	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C[C@@H]2CCCC[C@H]2O)cc1	846375610	GWOQHRNVRAHQBW-DZGCQCFKSA-N	320.389	1.786	50	20	DDGD	
CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843654567	RVGKVZPKLMCCBT-QEJZJMRPSA-N	320.389	1.725	50	20	DDGD	
CCNCCNC(=O)NNC(=O)c1ccc(Cl)cc1F	841937014	ZMDURNNDOBYGQZ-UHFFFAOYSA-N	302.737	1.033	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21)c1ncccn1	841353156	SQLMVOBHQHMHIX-RWMBFGLXSA-N	302.378	1.844	50	20	DDGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(F)c(S(N)(=O)=O)c1	840715728	CUZLQRJBOCAAQG-NJQKBMNKSA-N	310.350	1.995	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)c2cccn2C)c1OC	916981389	QAIGWBAIXLHKGE-UHFFFAOYSA-N	318.333	1.509	50	20	DDGD	
COc1ccccc1C(=O)NN=C(C)C[C@H]1CCCC(=O)N1	841623522	MRBWWVUHHCZUEL-GFCCVEGCSA-N	303.362	1.860	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](C)c1ccc(C)o1	742696719	ATVCGUMHDXZBIS-JTQLQIEISA-N	309.366	1.144	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cccc(Cn2ccnc2)c1	917180746	UIGYWZUKAUCFHB-UHFFFAOYSA-N	300.362	1.739	50	20	DDGD	
Cc1[nH]c2ccccc2c1CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843640256	BELPVJWQRSBTLO-NWDGAFQWSA-N	315.373	1.591	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNc2cnnc3ccccc23)C1	746294313	RALMYPHKZGVDEH-NSHDSACASA-N	313.361	1.331	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=Cc1cccc2ccccc12	743446537	ZKBJHRDQQJEWJD-UHFFFAOYSA-N	322.324	1.734	50	20	DDGD	
Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NN)c2)c1	917371819	VVXHJUNNANBMSA-UHFFFAOYSA-N	319.386	1.708	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@@H]2CCn3ccnc3C2)o1	749222930	OSIHWLDAPFSIJY-SNVBAGLBSA-N	314.349	1.572	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@H]2CCS[C@H]2C)cc1	845286504	WZTROSMASCAEPC-GWCFXTLKSA-N	323.418	1.922	50	20	DDGD	
COc1cccc([C@@H](C)C(=O)NNc2nnc(C)c(O)n2)c1	919744208	FTMUEJUZEZAPIC-MRVPVSSYSA-N	303.322	1.141	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cc(Br)cs1	744817015	CFYJEVSXTGQZET-UHFFFAOYSA-N	318.196	1.485	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1c[nH]nc1-c1ccccc1Cl	910165347	GEYUZBIRSAJAGZ-VIFPVBQESA-N	308.769	1.688	50	20	DDGD	
C[C@]1(CNC(=O)NNc2cccc([N+](=O)[O-])c2)CCCNC1	841970895	QKRMAXSPHUIBDF-AWEZNQCLSA-N	307.354	1.611	50	20	DDGD	
O=C(Cc1cccnc1)NN=C1CCN(Cc2ccccc2)C1=O	743439752	KQHNFGLSZPMJGR-UHFFFAOYSA-N	322.368	1.529	50	20	DDGD	
O=C(NNC(=O)c1ncccn1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1	842173718	YKPAZWBZACKAAV-RWMBFGLXSA-N	317.393	1.780	50	20	DDGD	
Cc1noc(Cl)c1CCC(=O)NNC(=O)[C@H]1CCO[C@H]1C	843971760	DLYATFJCUFWYES-WPRPVWTQSA-N	315.757	1.141	50	20	DDGD	
CO[C@](C)(C1CC1)[C@@H](C)NC(=O)NNc1nc(C)cc(C)n1	840416516	MLLFFMTUUQKYHR-ABAIWWIYSA-N	307.398	1.923	50	20	DDGD	
C[C@@H](Oc1cccc(C=NNC(=O)NCC2CC2)c1)C(=O)O	746679720	LAYQPYWHGKPKLH-SNVBAGLBSA-N	305.334	1.582	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=C1CO[C@H](C)C1	842520279	FMUSBHZEWBWGCS-LLVKDONJSA-N	300.362	1.880	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@H]2CCC[C@@H]2C(C)(C)C)cn1	841592128	ZULQLQXDSANYSH-RYUDHWBXSA-N	307.398	1.579	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C[C@@H](C)c1cccc(F)c1	843652108	QWYKWFPRTLAQRB-SUNKGSAMSA-N	308.353	1.892	50	20	DDGD	
C=C[C@H](C)ONC(=O)NNC(=O)COc1ccccc1CC	845640448	XHLLIUWZBQUJPB-NSHDSACASA-N	307.350	1.464	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cnc([C@@H](C)OCC)s1	742587513	SEQVQGVRUPRKAX-MRVPVSSYSA-N	300.384	1.595	50	20	DDGD	
CN1C(=O)C[C@@H](NC(=O)CCCC[C@H]2CCSS2)C1=O	848047400	MILCGOQSZXFSNO-VHSXEESVSA-N	316.448	1.574	50	20	DDGD	
CC[C@@](C)(O)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	929352707	ZTBCKINCDCZSMR-GFCCVEGCSA-N	305.161	1.915	50	20	DDGD	
C#CCN1CCC[C@@H](NC(=O)NNc2cc(F)ccc2F)C1	924034085	AOVYKTZJAODTRJ-GFCCVEGCSA-N	308.332	1.689	50	20	DDGD	
C=CCNC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1ccc(O)cc1	750663752	PZNWOIGUCPREGQ-KWJWQAOWSA-N	300.314	1.533	50	20	DDGD	
C[C@]1(CNS(=O)(=O)CC2(C#N)CC2)C[C@@H]1Br	856754327	GQMNHQXTSFNZOD-DTWKUNHWSA-N	307.213	1.383	50	20	DDGD	
CN1CCCC(=NNC(=O)COc2ccc(C#N)cc2)CC1	758096972	XSZUWKBEIWHYOI-UHFFFAOYSA-N	300.362	1.525	50	20	DDGD	
CC(Cn1cncn1)=NNC(=O)[C@H](C)Oc1cccc(C)c1C	853274178	HWNDGQBFUGOWRW-AWEZNQCLSA-N	315.377	1.855	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)CCO1	853375724	ACYBBIFVLSHPSM-UXIGCNINSA-N	320.393	1.559	50	20	DDGD	
COC(=O)NNC(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C	856757541	PDBUGKCDDXZWAB-BDAKNGLRSA-N	301.343	1.067	50	20	DDGD	
Cn1nncc1NNC(=O)c1cccc(OCC(F)(F)F)c1	857272903	KOVMVTSERCKPDR-UHFFFAOYSA-N	315.255	1.513	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(C)nc1Br	755664434	LCWVBXCFVIHKNB-UHFFFAOYSA-N	301.144	1.116	50	20	DDGD	
CC1(CC(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)CC1	758010069	HKOKMYFCXFONSL-UHFFFAOYSA-N	323.780	1.294	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCC2SCCS2)n1	852292634	FZVMURQXYIDDLA-UHFFFAOYSA-N	312.420	1.140	50	20	DDGD	
CCOC(=O)C[C@H](O)COC(=O)/C(C#N)=C/c1ccccc1	859660333	OPPZMNLCKDMNET-CZAWJFPGSA-N	303.314	1.451	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)c2ccc(C)o2)c(F)c1	758868917	OTOBMXBCESUONJ-UHFFFAOYSA-N	321.308	1.880	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNc1cccc(C(=O)OC)c1C	855625009	ZEGRJRTTZRHWEX-OCCSQVGLSA-N	304.346	1.816	50	20	DDGD	
NC(=O)c1csc(C=NNC(=O)c2ccc(O)c(Cl)c2)c1	755893354	MLQYHFFBHCMIQK-UHFFFAOYSA-N	323.761	1.970	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc(CO)c(F)c1)C1CC1	855099602	JPELGOQKZYAUHE-QMMMGPOBSA-N	311.382	1.225	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1nc2ccsc2s1	756635282	FQHXPLCBDXRGBK-UHFFFAOYSA-N	300.365	1.547	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@@H]2CCCC(=O)N2)c1C	855624269	IBNJIYGWWQRWAC-NSHDSACASA-N	319.361	1.284	50	20	DDGD	
Cc1noc(C)c1CCNC(=O)NNc1ncc(Cl)cn1	856858886	HAEVUJMAWSQZIR-UHFFFAOYSA-N	310.745	1.604	50	20	DDGD	
CC(=O)c1cc(C(=O)NNc2cc(Cl)nc(C)n2)n(C)c1	751391514	FPYBVLBDXSGSOO-UHFFFAOYSA-N	307.741	1.736	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)COCc1ccccc1)C1CC1	859488682	ALSNUPYSGDBKSF-HNNXBMFYSA-N	306.362	1.166	50	20	DDGD	
O=C(CCn1cccc1)NNC(=O)c1cc(-c2ccccc2)[nH]n1	751059230	YBMVUXKQFZCQFY-UHFFFAOYSA-N	323.356	1.730	50	20	DDGD	
C=CCc1ccc(OCC(=O)NN(C)C(=S)NC)c(OC)c1	854927565	BTKKKLPRKGXDGR-UHFFFAOYSA-N	323.418	1.270	50	20	DDGD	
CC(C)CC[C@@H]1CCC[C@H]1NC(=O)NNC(=O)[C@H]1CCC(=O)N1	858184837	VIAZWCGSOHDZAN-YNEHKIRRSA-N	324.425	1.200	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2nn(C)cc2Cl)o1	858909942	JTIMLTRLFLCKQR-UHFFFAOYSA-N	308.729	1.813	50	20	DDGD	
C[C@@]1(CNC(=O)NC[C@H](O)C(F)(F)F)C[C@H]1Br	856954360	IZNMQBMTRQKAFJ-CHKWXVPMSA-N	319.121	1.382	50	20	DDGD	
CCO[C@H](C(=O)NNc1nc2ccccc2c(=O)n1C)C1CC1	859370445	GQKYKAXROQSOTR-ZDUSSCGKSA-N	316.361	1.192	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@@H]1Cc1ccccc1	752314147	LLMSVPOXRWWKDJ-GOEBONIOSA-N	317.433	1.885	50	20	DDGD	
N#CSCCCNC(=O)[C@H]1CSC(c2ccccc2O)=N1	854360443	OPCZUXOBECVHPJ-LLVKDONJSA-N	321.427	1.975	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cc(F)cc2nc[nH]c12)C1CC1	855102940	OPOOABLVHFSTEI-SSDOTTSWSA-N	321.381	1.609	50	20	DDGD	
CC1(C)C[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)CCO1	852227618	UCKYPBRFPJVUNM-VIFPVBQESA-N	310.329	1.122	50	20	DDGD	
CN(NC(=O)c1cccc(-n2cncn2)n1)C(=O)OC(C)(C)C	854919493	HSLNIPMPGGPICZ-UHFFFAOYSA-N	318.337	1.174	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccc(Cl)c(F)c1)S(C)(=O)=O	754676942	VZGLZESLFMCPIU-ZETCQYMHSA-N	323.777	1.538	50	20	DDGD	
COC(=O)CSCCC(=O)NC[C@]1(C)C[C@H]1Br	857687770	AYEHZPZJJJFCBP-KCJUWKMLSA-N	324.240	1.572	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2C[C@H]2C2CC2)cc1C	751298061	WWWPCKGPFAVWMO-GJZGRUSLSA-N	302.374	1.876	50	20	DDGD	
Cc1cc(C=NNC(=O)C(C)(C)O)ncc1Br	863107500	SCXDBIKAAJBKFV-UHFFFAOYSA-N	300.156	1.374	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)COCCOC)C1CCC(C)CC1	869907597	OSRZXOKQRCZVAW-RUXDESIVSA-N	314.426	1.649	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NN=C1CCS(=O)CC1	761802684	YAIPADKSYCZPHB-UHFFFAOYSA-N	304.375	1.051	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](C)OCc2ccncc2)nc1	867644739	YDSTUJIMYQSUTR-LLVKDONJSA-N	302.334	1.534	50	20	DDGD	
C[C@H]1CN(Cc2ccccn2)CCC1=NNC(=O)c1cn[nH]c1	863154842	NTIUESQIALRZFW-LBPRGKRZSA-N	312.377	1.433	50	20	DDGD	
CC1(C)CC(=NNC(=O)c2cn[nH]c2)c2sc(N)nc2C1	863154127	OJSAQMRJASDVML-UHFFFAOYSA-N	304.379	1.555	50	20	DDGD	
Cc1cc(C2(C(=O)NCC(Cl)Cl)CCOCC2)on1	861697086	SYNYMRSEDCKPSH-UHFFFAOYSA-N	307.177	1.951	50	20	DDGD	
C[C@@H](NNC(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C)C(F)(F)F	862309897	VSWFMDGSOMRAQT-ZJUUUORDSA-N	323.359	1.985	50	20	DDGD	
O=C1CC[C@@H](COC(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)N1	869460666	SAWSXNAANLCRKD-QISWUMQESA-N	316.195	1.762	50	20	DDGD	
O=C(NNC(=O)C1(c2ccc(F)cc2)CCC1)c1cn[nH]c1	862473742	ZXJCBFFWFWKLJV-UHFFFAOYSA-N	302.309	1.432	50	20	DDGD	
C[C@H](NNC(=O)c1ccc(N2CCCC2)nc1)C(F)(F)F	862312217	HDWHZGDCMRZYIU-VIFPVBQESA-N	302.300	1.867	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cccc(OCC(F)F)n1	765322245	MCDRFADVLMNTQR-UHFFFAOYSA-N	316.308	1.924	50	20	DDGD	
C[C@H](CC(=O)NNCC(F)(F)C(F)(F)F)c1cnn(C)c1	863101677	CNZFKPZXHNNKOY-SSDOTTSWSA-N	314.258	1.732	50	20	DDGD	
CCOc1cc(C(=O)N(C)NC(=O)OCc2ccccc2)on1	862288460	MCNMZEPNEGZGJS-UHFFFAOYSA-N	319.317	1.987	50	20	DDGD	
C=CCNC(=S)NNC(=O)C[C@@H]1COc2cc(OC)ccc21	760372827	XWIGVZGGRYRMAT-SNVBAGLBSA-N	321.402	1.243	50	20	DDGD	
CCc1noc(C2CCC(=NNC(=O)[C@H]3CCC(=O)N3)CC2)n1	863147520	HVMZLZRPXZXFBP-HCCKASOXSA-N	319.365	1.040	50	20	DDGD	
Cc1nnc(-c2ccccc2C(=O)NNC(=S)NC(C)C)o1	1116290729	PFUJTBSUOPQFFX-UHFFFAOYSA-N	319.390	1.562	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)Nc1cccc2ccccc12	764143673	XISQBLPTHPUUHV-UHFFFAOYSA-N	311.341	1.726	50	20	DDGD	
O=C(NNc1nc(-c2ccccn2)nc2c1CCC2)c1cnco1	760159487	XXJMQYFKZBJVCB-UHFFFAOYSA-N	322.328	1.772	50	20	DDGD	
CC[C@H](C)C(=O)NN=C1C(=O)N(C)c2cc(N(C)C)ccc21	761783141	UTZMWQOOPZONCN-JTQLQIEISA-N	302.378	1.595	50	20	DDGD	
Cc1cc(CC(=O)NN=C2CCN(c3nccs3)CC2)n[nH]1	764677554	ZQOGATXEZQITMX-UHFFFAOYSA-N	318.406	1.490	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H](C)c2nc(C)no2)cc1	1115948535	BYPLUBHSQWVFJV-QMMMGPOBSA-N	319.321	1.092	50	20	DDGD	
C[C@H](CC(=O)OC(C)(C)C)NC(=O)NNC(=O)CC(C)(C)C	1116018193	CALLQFTWJLUCQZ-SNVBAGLBSA-N	315.414	1.873	50	20	DDGD	
CC(CCOCc1ccccc1)=NNC(=O)[C@H]1CCC(=O)N1	872392103	GSFPNBJOUOSDCJ-CQSZACIVSA-N	303.362	1.364	50	20	DDGD	
Cc1ncc([C@H](C)NCC(=O)NNC(=O)c2ccccc2)s1	879252367	NXNQHFJLCUYGAQ-JTQLQIEISA-N	318.402	1.563	50	20	DDGD	
Nc1cnnc(NNC(=O)NCCCc2ccccc2)c1Cl	1116299628	FXZXLBWONJEBRI-UHFFFAOYSA-N	320.784	1.971	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C	875587597	OYQZGLQUYHAJDD-JSGCOSHPSA-N	320.393	1.562	50	20	DDGD	
COCCOCC(=O)NN=C1CCC[C@@H](c2cccnc2)C1	872400404	KRRIWQYYDYZCHN-CYBMUJFWSA-N	305.378	1.874	50	20	DDGD	
O=C(NNC(=S)NCCc1ccccc1)[C@H]1CCCCO1	772221871	WTRURGGXKXOHQR-CYBMUJFWSA-N	307.419	1.294	50	20	DDGD	
Cc1cc(C)c(C(=O)CCCC(=O)NNC(=O)CO)c(C)c1	777782077	YCRRIJWTNMNFLL-UHFFFAOYSA-N	306.362	1.105	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCCc1cnccn1	774772812	NONKCZQHJIWPRG-UHFFFAOYSA-N	314.349	1.363	50	20	DDGD	
O=C(NNc1ccccn1)Nc1cnn(Cc2cccnc2)c1	1116498445	MSFBAUWNCMCUEE-UHFFFAOYSA-N	309.333	1.870	50	20	DDGD	
COC(=O)CCCCCCNC(=O)NN=c1cc[nH]c(C)c1	875106952	LKLMBOPOPQVVAS-UHFFFAOYSA-N	308.382	1.562	50	20	DDGD	
COc1cc(C=NNC(=O)c2sc(N)nc2C)cc(O)c1O	874111632	UXHQPSQZBWCKCQ-UHFFFAOYSA-N	322.346	1.217	50	20	DDGD	
Cc1cnccc1C(=O)NNC(=O)c1cc(Cl)ccc1O	771716551	IFEZMGHURCGWSQ-UHFFFAOYSA-N	305.721	1.824	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cnc3n2CCCC3)cc1	1116742744	GBBFSEPQVJAGEY-UHFFFAOYSA-N	314.345	1.303	50	20	DDGD	
COc1cccnc1NC(=O)NNC(=O)c1cccc(C#N)c1	771792847	YAPYZMPIFAOVGP-UHFFFAOYSA-N	311.301	1.428	50	20	DDGD	
C[C@@H]1COCC1=NNC(=O)CSc1nc2ccccc2n1C	884435840	LWBAONUVKHZYNW-SNVBAGLBSA-N	318.402	1.804	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1cnc([C@@H](C)O)s1	773023808	GQYCTUPYDPQZBV-VXGBXAGGSA-N	324.450	1.769	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc2c1N(C)C(=O)CO2	881264235	ZWNOJBQNTVMUQX-VIFPVBQESA-N	320.349	1.241	50	20	DDGD	
CCCNC(=O)NN=C1C(=O)Nc2c(F)cc([N+](=O)[O-])cc21	774366008	BOAKJVBWKPRLIG-UHFFFAOYSA-N	309.257	1.099	50	20	DDGD	
COc1ccc(NNC(=O)Cc2ccn(-c3ccccc3)n2)nc1	781527146	OASCJZWETJIZOL-UHFFFAOYSA-N	323.356	1.962	50	20	DDGD	
CC1(C)C[C@@H](NS(=O)(=O)CBr)C(C)(C)O1	782477575	YHHSKCVVUNUOAS-SSDOTTSWSA-N	300.218	1.604	50	20	DDGD	
O=C(Cc1cccnc1)NN=C1CCC(=O)Nc2ccccc21	783847108	SMBILBYTMWQRKC-UHFFFAOYSA-N	308.341	1.877	50	20	DDGD	
O=C(NN=Cc1cc(Cl)cc2c1OCC2)N1CCOCC1	782901917	RZAGRCSFCCEMPV-UHFFFAOYSA-N	309.753	1.651	50	20	DDGD	
O=C(NCCCc1cccs1)NNC(=O)C1CCOCC1	883546464	FBAADGNOLVZHDH-UHFFFAOYSA-N	311.407	1.438	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@H]2CCN(C(C)C)C2)nc1	781000695	MBFOEHJFFYKWMQ-GFCCVEGCSA-N	307.398	1.447	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(-n2ccc(C)n2)cc1	780710236	ZHBXKZPBTVNDER-UHFFFAOYSA-N	301.350	1.487	50	20	DDGD	
O=C(NN=C1CCOc2c(F)ccc(F)c21)C(=O)N1CCCC1	783834856	AHELFFPSIASGEZ-UHFFFAOYSA-N	323.299	1.190	50	20	DDGD	
COc1cccc(NCC(=O)NN=Cc2c(Cl)cnn2C)c1	780200326	FXTMWKNRJBIISE-UHFFFAOYSA-N	321.768	1.644	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2CCOC3(CCC3)C2)n1	890334572	DVQDHFMGUTTZKV-LBPRGKRZSA-N	303.362	1.500	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)c1ccnn1CC(F)F	790713645	TTYOMJXDGYLMCS-UHFFFAOYSA-N	318.287	1.848	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc2nn[nH]c2cc1F	899995914	JOIYVTWQZROJBM-UHFFFAOYSA-N	310.358	1.004	50	20	DDGD	
CC[C@H](CO)C(=O)NNC(=O)c1cc(C)nc2ccccc12	799009751	KGYGIETYMFULKH-LLVKDONJSA-N	301.346	1.323	50	20	DDGD	
CCOc1c(OC)cc(/C=C(/C#N)S(N)(=O)=O)cc1OC	798230181	NHLUEXIOUVBASR-YHYXMXQVSA-N	312.347	1.255	50	20	DDGD	
O=C(O)Cn1cc(C=NNC(=O)[C@@H]2CCOC2)c2ccccc21	799886090	JMDRBOWUSCSLDC-LLVKDONJSA-N	315.329	1.213	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCO[C@@H](C(C)C)C2)n1	793219608	ARRXEQGAASLAFF-CYBMUJFWSA-N	306.366	1.101	50	20	DDGD	
CCN(CCNC(=O)NNC(=O)c1cccc(C)n1)C(C)C	792913911	ZORUSIFAVMPTTE-UHFFFAOYSA-N	307.398	1.064	50	20	DDGD	
Cn1ccc(CCC(=O)NNC(=O)c2cccc3ncccc23)n1	794295533	ISKNHNHFYHVCCQ-UHFFFAOYSA-N	323.356	1.362	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)N=c2cc[nH]cc2)cc1	794748821	UFDANVDUZJJBHY-UHFFFAOYSA-N	315.333	1.048	50	20	DDGD	
CCCOc1cccnc1C(=O)NNC(=O)c1cccc(C)n1	794089861	LWVLMUWFFNTUIJ-UHFFFAOYSA-N	314.345	1.649	50	20	DDGD	
CC(C)OCCC(=O)NNC(=O)c1cncn1-c1ccccc1	1317824827	MKKUIWKPECALIY-UHFFFAOYSA-N	316.361	1.448	50	20	DDGD	
CC(=NNC(=O)c1n[nH]c2c1CCCC2)c1cc(O)cc(O)c1	1319457430	OXSRLPTUIZBQRL-UHFFFAOYSA-N	314.345	1.854	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2cnc(C(C)C)[nH]2)c1	1318944673	BGHMSWVRHADTDQ-UHFFFAOYSA-N	316.361	1.682	50	20	DDGD	
CC(C)NC(=S)NNC(=O)Cc1cccc(OCC#N)c1	1319556343	IMDPYOXEUZYEMR-UHFFFAOYSA-N	306.391	1.035	50	20	DDGD	
Cc1cc(C)cc(CCNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	1326733273	MOHFSXQGWJRFGP-ZFWWWQNUSA-N	319.405	1.601	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)c2cc(OC)cc(OC)c2)C1	1329158112	QGARMIITCDJLRU-UHFFFAOYSA-N	320.345	1.763	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNc2cccnn2)cc1F	1320579970	KKRMTYYIGYUVOZ-UHFFFAOYSA-N	319.296	1.096	50	20	DDGD	
CCCn1cc(NC(=O)NNC(=O)c2ccc(OC)cc2)cn1	1325357795	XYDGXSJLTIXQKM-UHFFFAOYSA-N	317.349	1.768	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NC/C=C\C1CC1	1328212833	NAGFMWDHASMAQM-WAYWQWQTSA-N	317.389	1.924	50	20	DDGD	
COc1cccc(NC(=O)NNc2nncc(N)c2Cl)c1	1323978531	WMHTYTGQAMSGRE-UHFFFAOYSA-N	308.729	1.869	50	20	DDGD	
CC(=NNC(=O)Cn1cnc2ccccc21)c1ccnc(C)n1	1321094093	HKEJMWDIXOSSMQ-UHFFFAOYSA-N	308.345	1.675	50	20	DDGD	
Cc1noc(C(F)F)c1C(=O)NNc1nncc(N)c1Cl	1324008287	CGCPGYIUOXKWJL-UHFFFAOYSA-N	318.671	1.703	50	20	DDGD	
CC(=NNC(=O)C[N+](C)(C)C)c1nc2cc(Cl)ccc2n1C	1256371285	YLFWMEOZOHCTDW-UHFFFAOYSA-O	322.820	1.773	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)c2cccc(CCl)c2)C1	1336534920	DHPGRPSGDNMPSM-CHWSQXEVSA-N	311.765	1.421	50	20	DDGD	
O=C(NN=C1CCN(CCC(F)(F)F)CC1)c1cccnn1	1336994613	IHTPLSKHNKSLEE-UHFFFAOYSA-N	315.299	1.611	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2F)cc1	1337846359	MCGMREONYHLDRU-UHFFFAOYSA-N	304.281	1.118	50	20	DDGD	
Cc1ncnc(O)c1CCC(=O)NNc1cccnc1Cl	1331749203	GYPFNOTWARHMCH-UHFFFAOYSA-N	307.741	1.615	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cnc(O)c(C(F)(F)F)c1	1262222810	CNDWAUBYSDAIET-UHFFFAOYSA-N	322.312	1.323	50	20	DDGD	
CN[C@H](C)CCNC(=O)NNC(=O)COc1cc(C)cc(C)c1	1348560776	HTISINHHAUFEGZ-CYBMUJFWSA-N	322.409	1.011	50	20	DDGD	
Cn1cc(C(=O)OC[C@@]2(C)C[C@H]2Br)n(C)c1=O	1346558118	ORBXZNZTMLSLAU-LDYMZIIASA-N	303.156	1.054	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@]23CC[C@H](CC2=O)C3(C)C)n1	1347018447	KOLVUFZUVHFCDV-DIFFPNOSSA-N	315.373	1.546	50	20	DDGD	
C[C@H]1CN2CCN1C[C@H]2C(=O)NNc1ccc(C#N)c(Cl)c1	1348233541	NHFQGDADYWCYNJ-HZMBPMFUSA-N	319.796	1.043	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N[C@H]2C=CCCC2)C[C@H]1Br	1351174962	MDISIQYYVTUGPU-OPQQBVKSSA-N	315.211	1.501	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C\c1ccc(N2CCOCC2)cc1	802608	OWTKUVODKZSLKF-ZROIWOOFSA-N	305.341	1.690	50	20	DDGD	
CC[C@@H](C)n1nccc1C(=O)NNC(=O)c1cccc(Cl)n1	1528610450	CGDOYOFNSUIEAU-SECBINFHSA-N	321.768	1.977	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)NC[C@H]2CCSC2)cc1	1602127884	DDUNCLGNIBZXKS-LLVKDONJSA-N	309.391	1.693	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cnn(CC3CC3)c2)c1	1602450201	OJXXOMUWTWGGBZ-UHFFFAOYSA-N	300.318	1.748	50	20	DDGD	
C[C@@H](C(=O)O)c1ccc(NC(=O)NNc2ncncc2F)cc1	1603212292	CBKJOQGRSHBSBE-MRVPVSSYSA-N	319.296	1.952	50	20	DDGD	
CC(C)n1ccc(CC(=O)NNc2cccc(F)c2C(=O)O)n1	1604037182	MNUZYRBARGADFH-UHFFFAOYSA-N	320.324	1.987	50	20	DDGD	
CCc1[nH]c(C=NNC(=O)Cc2csc(C)n2)cc1C(=O)O	1605770766	HCTUXYLELJPWDC-UHFFFAOYSA-N	320.374	1.733	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNc1ccc(C(=O)O)cn1	1608379117	IKAXFEROBWJYSU-UHFFFAOYSA-N	310.313	1.878	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(CC(=O)O)cc1)[C@H]1CCCOC1	1604291543	NESZWFJPXGABPD-AAEUAGOBSA-N	321.377	1.755	50	20	DDGD	
O=C(O)Cc1sccc1C(=O)NN=c1cc[nH]cc1Cl	1602158485	TYVIAVFBUZTJAF-UHFFFAOYSA-N	311.750	1.602	50	20	DDGD	
CC(=O)N1CC[C@@](C)(C(=O)NNc2cccc(C(=O)O)c2F)C1	1609591004	BJIAIRASSSUOOV-OAHLLOKOSA-N	323.324	1.226	50	20	DDGD	
O=C(O)C1=NO[C@@H](C(=O)NNc2ccc(Cl)cc2Cl)C1	1605970733	RMZFDKLIGXELTI-SECBINFHSA-N	318.116	1.666	50	20	DDGD	
CCCC[C@H](NNC(=O)COc1ccc(C#N)cc1)C(=O)O	1609961186	GJLHRYJGRBMWEF-ZDUSSCGKSA-N	305.334	1.201	50	20	DDGD	
O=C(Cc1ccsc1)NNC(=O)Nc1cncc(C(=O)O)c1	1608369423	XYIDOEYSPSEAHQ-UHFFFAOYSA-N	320.330	1.237	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@@H]2Cc3cccnc3C2)ccc1F	1608856515	AKBFCMLFFOIQTN-SNVBAGLBSA-N	315.304	1.777	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1ccc(C)c(C(=O)O)c1	1605638333	OCTFLLVJWHQFCN-NSHDSACASA-N	310.350	1.578	50	20	DDGD	
Cc1oc(C=O)cc1C(=O)NNc1cccc(C(=O)O)c1F	1608042670	CDMKXBUQFKAWMG-UHFFFAOYSA-N	306.249	1.995	50	20	DDGD	
O=C(NN=CCc1cccc(Cl)c1)[C@@H]1CN2CCC[C@H]2CO1	1549320049	KGUUEOUYPCWWMK-GJZGRUSLSA-N	321.808	1.848	50	20	DDGD	
CC[C@@]1(C(=O)NNC(=O)Cc2ccc(Cl)cc2)CCCN1	1577198102	CONLUUKVZJJGPS-HNNXBMFYSA-N	309.797	1.562	50	20	DDGD	
C[C@@H](CCN(C)C)NC(=O)NNc1ccc(C(=O)O)c(F)c1	1592513640	HZEOTWJNJGXROD-VIFPVBQESA-N	312.345	1.490	50	20	DDGD	
CC[C@@H](C)CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	1590404702	XFOQZGJGXXGXJD-SSDOTTSWSA-N	309.761	1.794	50	20	DDGD	
C[C@]1(CCC(=O)NNc2ccccc2C(=O)O)CCC(=O)N1	1594001056	BNIHRURVCUQHJT-OAHLLOKOSA-N	305.334	1.277	50	20	DDGD	
C[C@@]1(CNc2ccc(-c3nn[nH]n3)c(N)n2)C[C@H]1Br	1590134108	NZPSEMRZIXYGGS-HQJQHLMTSA-N	324.186	1.429	50	20	DDGD	
O=C(Cc1ccc(F)c(F)c1)NNc1ncccc1C(=O)O	1594706356	BCZGDOUCUMHIJW-UHFFFAOYSA-N	307.256	1.744	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1ccc(-c2nn[nH]n2)c(C)c1	1591431531	PCNVVQSTQBDRSJ-XYOKQWHBSA-N	313.317	1.272	50	20	DDGD	
CCC(=NNC(=O)c1cnn(C)c1)c1ccc(-c2nn[nH]n2)cc1	1590359431	ZJDIVIBBIFQEMO-UHFFFAOYSA-N	324.348	1.144	50	20	DDGD	
COc1ccc(NC(=O)NN=Cc2cc(C(=O)O)nn2C)cc1	1776077690	QXOFIGANAIUIGB-UHFFFAOYSA-N	317.305	1.283	50	20	DDGD	
CCn1cc(C=NNC(=O)c2cccc(C(=O)O)c2)c(C)n1	1776096135	MUPNWQRJRRRMIF-UHFFFAOYSA-N	300.318	1.674	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=Cc1cccc(O[C@@H](C)C(=O)O)c1	1776102811	ZIDAIRJLLYMXSP-LEWSCRJBSA-N	320.345	1.414	50	20	DDGD	
Cc1ccc(NC(=O)CSCC(=O)NNC(=O)C2CC2)cc1	15793979	NNVKOTZIRDHZEG-UHFFFAOYSA-N	321.402	1.224	50	20	DDGD	
Cc1cc(C(=O)NNc2nc(C(F)(F)F)cs2)n(C)n1	152819562	HQIIBCDHIHASSQ-UHFFFAOYSA-N	305.285	1.961	50	20	DDGD	
CCc1ccc(OCC(=O)NNc2ncnc3nc[nH]c23)cc1	156305177	WPVSXJBXGXSZQI-UHFFFAOYSA-N	312.333	1.437	50	20	DDGD	
CCC1(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CCC1	176448866	XXIWBZJUFHHXNT-ZDUSSCGKSA-N	304.346	1.554	50	20	DDGD	
O=C(NNC(=O)c1cscn1)c1cccc(OC(F)F)c1	103041004	BDKFKJLUMJMVCQ-UHFFFAOYSA-N	313.285	1.819	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1C(=O)CCc2ccccc21	110632382	SVKAGCACSBAWGW-UHFFFAOYSA-N	303.362	1.159	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cccc2ncccc12	103424228	LNUFMFRYOCKDCL-UHFFFAOYSA-N	306.325	1.634	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNC(=O)c1cccc(C#N)c1	104414064	MVHIKCVBDMIOIR-AWEZNQCLSA-N	300.362	1.194	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)CC(C)(C)C)CN1CCCCC1	103308963	NLGNPBUXOHYTBJ-ZDUSSCGKSA-N	312.458	1.875	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1C[C@H]1c1ccco1	109144677	SORYEFOGONYGHR-VXGBXAGGSA-N	300.314	1.853	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3cocn3)[nH]n2)cc1	104851806	CYEWZTALTKBUIV-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cc(Cl)cn2C)c1O	53643735	ORPIEYFSMCDICB-UHFFFAOYSA-N	323.736	1.468	50	20	DDGD	
CC(C)CCO[C@@H](C)C(=O)NNC(=O)c1ccc(Cl)nc1	68868189	ORJILYBCVMMPOC-JTQLQIEISA-N	313.785	1.947	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]1c1c(F)cccc1F)[C@@H]1CCCO1	116174074	YCCHBWHQDGBFBR-PTRXPTGYSA-N	310.300	1.395	50	20	DDGD	
COc1cccc2[nH]cc(CC(=O)NNC(=O)c3ccc[nH]3)c12	179994435	ZBXKQJUYDTVPLY-UHFFFAOYSA-N	312.329	1.508	50	20	DDGD	
CC(C)NC(=O)NNC(=O)C(C)(C)NC(=O)OC(C)(C)C	63265319	UVWJIJMDNJQTHI-UHFFFAOYSA-N	302.375	1.029	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2cc(F)c(F)cc2F)CC1=O	115720729	VBZZPCDXDKOTPS-SSDOTTSWSA-N	301.268	1.415	50	20	DDGD	
CC[C@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)c1ccccc1F	68635025	OXKDMVPHLSXQEN-UWVGGRQHSA-N	324.356	1.073	50	20	DDGD	
Cn1cc(CCC(=O)NNC(=O)c2ccc(Cl)cc2F)cn1	175826246	XZFLXSXCQIJZST-UHFFFAOYSA-N	324.743	1.606	50	20	DDGD	
O=C(NNC(=O)c1ccc(N2CCCC2)nc1)c1ccncc1	171347323	IBCLBAMBMVMTHE-UHFFFAOYSA-N	311.345	1.152	50	20	DDGD	
CC(C)S(=O)(=O)CC(=O)NNc1cccc2c1CCCC2	120086149	DJTWSHDFGLIQRH-UHFFFAOYSA-N	310.419	1.832	50	20	DDGD	
Cc1ccnc(NC(=O)NNc2cccc(S(C)(=O)=O)c2)c1	184197686	IFQDWRNNVSNCHY-UHFFFAOYSA-N	320.374	1.942	50	20	DDGD	
CC1(C)[C@@H]2CC[C@@]1(C(=O)NNC(=O)c1ccncc1)C(=O)C2	39854410	VWWQOWYMSKSFOQ-BZNIZROVSA-N	301.346	1.238	50	20	DDGD	
CCc1ccccc1CC(=O)NNC(=S)NCCSC	188838802	QUGYDKZKCKJOHY-UHFFFAOYSA-N	311.476	1.650	50	20	DDGD	
C[C@H](CBr)CN1CCCN(C(=O)C2CC2)CC1	121263952	RUNCFAAXYQWVIX-LLVKDONJSA-N	303.244	1.962	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)c1cc[nH]c(=O)c1	120435627	WFCOZWXYHKYJCS-UHFFFAOYSA-N	321.336	1.532	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCO1)c1cccc(Br)c1	32262886	BXLAMBXRXKSRDF-SNVBAGLBSA-N	313.151	1.389	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1cccc(-c2ccoc2)c1	186148653	VRVJNXRTMWKBGL-UHFFFAOYSA-N	310.313	1.673	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C2[C@@H]3CCC[C@@H]23)nc1C	182724166	PARMPZGGCSSXKT-NXEZZACHSA-N	304.350	1.451	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCO[C@@H](Cc2ccccc2)C1	183572708	LIXJDSIXEGTQSY-AWEZNQCLSA-N	319.405	1.717	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](C)c2cn(C)nc2C)s1	75971137	UNTPZNKXDIUYPC-SECBINFHSA-N	321.406	1.804	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)COCCCOC)c1ccccc1	180637488	IGYHHDNYXONWFP-AWEZNQCLSA-N	308.378	1.381	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccc[nH]2)cc([N+](=O)[O-])c1C	191167232	AHZRZKOSRAOWJZ-UHFFFAOYSA-N	318.289	1.315	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccccc1-c1ccccc1C#N	190061903	JLPIIWAXLKJNHC-UHFFFAOYSA-N	323.352	1.757	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1ccc2[nH]cnc2c1	132019841	GTHFRJNBNMJTMD-UHFFFAOYSA-N	324.340	1.541	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ccccc1OC(F)(F)F	190226513	KVPHBIUUDARKAT-JGVFFNPUSA-N	318.251	1.837	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1coc(C2CCC2)n1	193176257	JQWHTBKSDMJSHD-UHFFFAOYSA-N	314.345	1.815	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cc1ccc(F)cc1F)C1CC1	88280850	LHALGBLBRNXBEY-MRVPVSSYSA-N	313.373	1.801	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CCC(=O)NNC(=O)CC1CCCC1	195204760	FYBKTJFNRHDCCB-UHFFFAOYSA-N	323.353	1.218	50	20	DDGD	
CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)NNc1ncccn1	92791784	BYEGAGCYGBZUTA-UTUOFQBUSA-N	307.398	1.942	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNC(=O)C(C)(C)C)cc1OC	255907008	CHRDOHTYJIKWCG-CLFYSBASSA-N	306.362	1.911	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)N[C@@H](C)CC(C)C	269803911	KEZDEHSHLIHKFT-LBPRGKRZSA-N	323.393	1.839	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNc2nc3ccccc3c(=O)n2C)O1	268116306	KFFHZGVUHUVOJF-GWCFXTLKSA-N	316.361	1.334	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H](C)C2CCOCC2)n1	268593754	UZZJAZNHGMPQAQ-SNVBAGLBSA-N	309.370	1.235	50	20	DDGD	
CN(C)c1nc2sc(C(=O)NNC(=O)C3CCC3)cc2s1	264817586	WRYXAAPYELNUGQ-UHFFFAOYSA-N	324.431	1.985	50	20	DDGD	
CCOCCC1(CNC(=O)NNC(=O)c2ccccc2F)CC1	269802342	RMNMNVBPHIJJAT-UHFFFAOYSA-N	323.368	1.977	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NNc1ncnc2ccsc12	268973026	LYHSLOLUVALFED-ZJUUUORDSA-N	322.390	1.719	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNC(=O)c1cccc2ncccc12	268233933	VDTXATBKPLVHRR-SNVBAGLBSA-N	315.329	1.195	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H]1COc2cc(C)c(C)cc21	274430440	DSUSAAWZDBVMNY-ZDUSSCGKSA-N	321.377	1.146	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)NC(C)(C)C	270522230	RLTXPLJZKRTMCV-UHFFFAOYSA-N	311.407	1.916	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CCO[C@H](C)C2)c1	272693813	WOOPEEDRGVJETG-PWSUYJOCSA-N	307.350	1.667	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc(OC2CCCC2)c(F)c1	274114292	ZCYFZWMIIFIREE-UHFFFAOYSA-N	323.324	1.253	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCc1ccc(Cl)c(Cl)c1	278044844	WIJSRMVTFNHAGF-UHFFFAOYSA-N	319.188	1.844	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@H](C(=O)N2CC=C(C#N)CC2)C1	271176237	YARJDLLWALPCQM-AWEZNQCLSA-N	303.406	1.953	50	20	DDGD	
CCC(C)(C)N[C@@H](C)C(=O)NNc1cc(Cl)nc(N)n1	274896712	FESYKDSEGNIUSM-ZETCQYMHSA-N	300.794	1.322	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)C[C@@H]1C=CCC1	273314583	WFFGTKGKEWGXOE-WDEREUQCSA-N	311.382	1.403	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CCc1cnccn1)c1ccccc1	280641923	YLFWGHKKPFLUMG-UHFFFAOYSA-N	312.373	1.534	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NC(C1CCC1)C1CCC1	287328588	LVSWLTKZPBKILS-UHFFFAOYSA-N	316.405	1.923	50	20	DDGD	
O=C(NNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)c1ccc(Cl)cc1	289366619	NPUJODTYTRWZTC-WCFLWFBJSA-N	324.764	1.153	50	20	DDGD	
CN1C(=O)c2ccc(C(=O)NCC(Cl)Cl)cc2C1=O	288137369	AEHSKPVBXXRVJC-UHFFFAOYSA-N	301.129	1.446	50	20	DDGD	
C[C@@H](CO)N(CC(=O)NNC(=O)c1ccccc1)C1CCCC1	287769950	MWABKHFDOGWFKL-ZDUSSCGKSA-N	319.405	1.073	50	20	DDGD	
O=C(CCc1ncc[nH]1)NNc1ccc(C(F)(F)F)nn1	287566060	FIEUBNSOGXOVMT-UHFFFAOYSA-N	300.244	1.294	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1	288802648	FJOZMRYFQKOFLA-ZDUSSCGKSA-N	321.352	1.902	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccn(C)c1CC	290669369	GTMPBGHLNBROJO-UHFFFAOYSA-N	311.382	1.138	50	20	DDGD	
COCCOc1cncc(C(=O)NNC(=O)C2CCCC2)c1	800840773	BSFKUGYDBAQFRA-UHFFFAOYSA-N	307.350	1.058	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(C(C)C)on2)c(O)c1	294769263	FVKPARHZYMIIEH-UHFFFAOYSA-N	303.318	1.887	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2nc3c(s2)CCCC3)O1	292914897	XFVHUZCQYCYUIX-WPRPVWTQSA-N	324.406	1.742	50	20	DDGD	
C[C@@H](C(=O)NNc1cnccn1)[C@@H]1OCCc2sccc21	293481296	LOLHOBZJSPIVJI-RNCFNFMXSA-N	304.375	1.931	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1c[nH]nc1[N+](=O)[O-]	807777762	PHUMTBLSXBSUGO-UHFFFAOYSA-N	306.238	1.291	50	20	DDGD	
CC(C)Sc1ccc(C(=O)NNC(=O)N2CCOCC2)cc1	299385447	PIZOWDCLEANZFO-UHFFFAOYSA-N	323.418	1.874	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cnc(-c2ncccn2)s1	299520153	HWDUOMRXTDKVIR-UHFFFAOYSA-N	321.362	1.770	50	20	DDGD	
N#Cc1cc(NC(=O)C(=O)NNc2ncccc2F)ccc1F	807300365	KMXIVUUFKXWYLX-UHFFFAOYSA-N	317.255	1.313	50	20	DDGD	
CC(C)(O)c1ccc(CNC(=O)NNc2ncncc2F)cc1	293199365	ZMQIPZVRGAAJAU-UHFFFAOYSA-N	319.340	1.669	50	20	DDGD	
COc1cccc(C(=O)CCCC(=O)NNC(=O)CC2CC2)c1	294219816	QSFQXRPMNIPVKT-UHFFFAOYSA-N	318.373	1.996	50	20	DDGD	
O=C(CCc1ncc[nH]1)NNC(=O)c1cccc(OC(F)F)c1	806787021	CVWJBHHFCCYWHH-UHFFFAOYSA-N	324.287	1.405	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)COCc1ccccc1	812516580	SSDMMDVHXOMDCN-STQMWFEESA-N	308.378	1.269	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=O)c2ccccc2O)C1	816830920	ZBWDMMIWEUFRAS-CABZTGNLSA-N	314.345	1.242	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2cccc(C#N)n2)c1	810915644	RJWFLLZFTOLVKQ-UHFFFAOYSA-N	316.342	1.114	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccn(C(C)C)c1C	815915357	MEIGXHOCXQQWDT-UHFFFAOYSA-N	314.480	1.849	50	20	DDGD	
O=C(NNc1ncncc1F)c1cc2cccc([N+](=O)[O-])c2[nH]1	817081743	IXTSWBVWKQRTRS-UHFFFAOYSA-N	316.252	1.762	50	20	DDGD	
CCC[C@@H]1C[C@H]1C(=O)NNC(=O)COc1ccc(C#N)cc1	812532460	SXDXGKWVKVXGMV-TZMCWYRMSA-N	301.346	1.521	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cnc(C(C)(C)C)nc1	814757441	ARGDBEIABZYSFL-UHFFFAOYSA-N	305.426	1.956	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)COc1ccccc1F	811630807	UNCJBSLBORUCCP-LLVKDONJSA-N	307.325	1.365	50	20	DDGD	
Cn1c(=NNC(=O)c2cc3ncccn3n2)sc2ccccc21	816844496	CKEKEQISDIVVEF-UHFFFAOYSA-N	324.369	1.528	50	20	DDGD	
CC1(C)OCCC1=NNC(=O)COc1ccccc1[N+](=O)[O-]	814743274	CBBQJYKGRBEAAX-UHFFFAOYSA-N	307.306	1.645	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NN=Cc2ccn(C)n2)c1C	814748056	HEFKNHRAGVAZMY-CYBMUJFWSA-N	300.362	1.955	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cccc(C#N)n1)c1ccccc1	810372084	ZBJGMUZOAWAUAJ-UHFFFAOYSA-N	308.341	1.692	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)s1	819906283	DOVBQNSBEVSZCU-UHFFFAOYSA-N	308.367	1.125	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1sc(N2CCCC2)nc1Cl	823964928	GIOQOCGLIJAGDQ-MRVPVSSYSA-N	318.830	1.354	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)NNc1cccc(F)c1)C2	496965986	BYMHEQOGRODPQV-GDLCADMTSA-N	319.336	1.912	50	20	DDGD	
C[C@@H](OCCc1ccccc1)C(=O)NNC(=O)C1CCCC1	822474456	MOWRDVAYRJUBHU-CYBMUJFWSA-N	304.390	1.972	50	20	DDGD	
CC(=NNC(=O)CCNC(=O)OC(C)(C)C)c1cnccn1	494952938	NCBPEWNQUCCFGR-UHFFFAOYSA-N	307.354	1.232	50	20	DDGD	
C[C@H]1COCCN1CCNC(=O)/C(C#N)=C\c1ccc(O)cc1	490979081	XLNBYSYWEXVKIB-OJNRTJSBSA-N	315.373	1.136	50	20	DDGD	
COc1cccc(C[C@@H](C)CC(=O)NNC(=O)c2cc[nH]n2)c1	824835003	JVWWJGRQVMGLRN-LLVKDONJSA-N	316.361	1.448	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(N=c2cc[nH]cc2)cc1	496091939	QTYVKPDWIOLKOM-UHFFFAOYSA-N	300.318	1.590	50	20	DDGD	
CC(C)(C)OC(=O)NC(C)(C)C(=O)NNC(=O)C(C)(C)C	490867399	LGBSMOPULCZAKH-UHFFFAOYSA-N	301.387	1.483	50	20	DDGD	
CCc1ccc([C@@H](O)CNC(=O)/C(C#N)=C\c2cnn(C)c2)cc1	491087267	WQDVAFFCTPKZMZ-KZRVJCNKSA-N	324.384	1.739	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)C2CCOCC2)cc1Cl	829558037	WOGHJWMVBCIKDW-UHFFFAOYSA-N	310.781	1.765	50	20	DDGD	
O=C(CSC[C@@H]1CCCCO1)NNC(=O)CC(F)(F)F	727485115	IGSDOVOSGRLDSN-QMMMGPOBSA-N	314.329	1.389	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(-c2cccc(C#N)c2)no1	497068706	ZKIFKSAHVFTAAD-UHFFFAOYSA-N	300.274	1.604	50	20	DDGD	
CCCN(NC(=O)[C@@H](O)CCSC)C(=O)OC(C)(C)C	496716709	FTWIGNUCBUNIRL-JTQLQIEISA-N	306.428	1.779	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CO)ccc1NC(=O)OC(C)(C)C	495264061	IONWQLULIOODKE-UHFFFAOYSA-N	323.349	1.095	50	20	DDGD	
CC(=O)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1	495446984	BJQSRIMKHJUEBK-LBPRGKRZSA-N	307.350	1.420	50	20	DDGD	
O=C(N[C@@H]1C[C@H]2c3ccccc3CC[C@@H]12)c1cccc(B(O)O)c1	585008594	JVXZENPEERNCMI-FGTMMUONSA-N	321.185	1.215	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCC(F)(F)F)N1CCCCC1	827635496	HLWTZEOZCPMQCO-UHFFFAOYSA-N	310.320	1.144	50	20	DDGD	
CC(C)CCOc1ccc(NC(=O)NN=c2cc[nH]cc2)nn1	825520220	WYUFFNOXZKQWQJ-UHFFFAOYSA-N	316.365	1.867	50	20	DDGD	
CC/C=C(\C)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	825219887	NLVLCMOQHGEJGJ-QPJJXVBHSA-N	307.745	1.715	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(C(=O)NC2CC2)ccc1C	496087898	QTHHZHFTRDGUMR-UHFFFAOYSA-N	320.349	1.670	50	20	DDGD	
CC(C)(C)c1csc(CCNCc2ccccc2B(O)O)n1	585022749	YJFDESZHAQVONX-UHFFFAOYSA-N	318.251	1.453	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1c(Cl)c(C)nn1C	905447023	RGMMRUYIYXHNPX-UHFFFAOYSA-N	313.789	1.137	50	20	DDGD	
O=C(O)[C@@H]1C[C@H]1C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	739550195	WWXWFJQGDJBTJH-RKDXNWHRSA-N	322.708	1.554	50	20	DDGD	
CCO[C@@H]1C[C@@H](NCc2ccc(B(O)O)cc2F)C12CCCC2	585027351	QXWYNTFHMNZORY-HZPDHXFCSA-N	321.201	1.333	50	20	DDGD	
O=C(N[C@H]1CCCCC12CCCC2)c1cc(B(O)O)ccc1F	584992025	JGUGQMQWKPLGGJ-HNNXBMFYSA-N	319.185	1.738	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNc1ccccc1C(=O)OC	839717163	BBFYZJSMNWBNDE-SNVBAGLBSA-N	308.334	1.506	50	20	DDGD	
O=C(CCCNC(=O)NC1CCCCC1)NNC(=O)C1CCC1	732143116	SHBAIXAVRXBSMN-UHFFFAOYSA-N	324.425	1.346	50	20	DDGD	
O=C(NNC(=O)N1C[C@@]2(CCCO2)[C@H]1C1CC1)C1CCCC1	836425517	BOTJRCFPCWTSKC-CJNGLKHVSA-N	307.394	1.561	50	20	DDGD	
CCOCC(=O)NN=Cc1ccc(N(CC)CCO)cc1C	731152447	HZESPBGYIHKCES-UHFFFAOYSA-N	307.394	1.300	50	20	DDGD	
O=C(NNc1ccc(Br)nc1)C1CCOCC1	732836935	SUYNCXJGDWYGEW-UHFFFAOYSA-N	300.156	1.714	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cc2c(Cl)cccc2s1	733359132	AVVZNWOALINHMS-UHFFFAOYSA-N	311.794	1.877	50	20	DDGD	
N#Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)cn1	739107604	YCWHVKVYGILETC-UHFFFAOYSA-N	313.225	1.779	50	20	DDGD	
CC[C@@H](O)[C@H](C)C(=O)NNC(=O)CSc1ccccc1O	901257729	HKLIVXBVKAYEQO-VHSXEESVSA-N	312.391	1.039	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@]1(C)CCC[C@H]1C	837933123	KPEUDMQMOQNCLI-WQGACYEGSA-N	312.410	1.938	50	20	DDGD	
O=C(c1cc(-c2ccc(F)cc2)no1)N1CC[C@H](B(O)O)C1	585066439	LUEOVHDMASZPAO-JTQLQIEISA-N	304.086	1.170	50	20	DDGD	
CCn1ccnc1[C@@H](C)NC(=O)NNC(=O)c1ccccc1C	836193864	XRTRYGNDKCNWFA-GFCCVEGCSA-N	315.377	1.917	50	20	DDGD	
Cc1nc2c(s1)CCC[C@H]2CNCc1ccc(B(O)O)cc1	585038588	CJRIDGHZQVVVBJ-ZDUSSCGKSA-N	316.235	1.341	50	20	DDGD	
Cc1cccc(OCCNC(=O)NNC(=O)[C@@H]2CCCCO2)c1	836197425	POAUZDJZUWZGDM-AWEZNQCLSA-N	321.377	1.273	50	20	DDGD	
O=C(NNc1cccnn1)c1cc(F)cc(N2CCOCC2)c1	832044705	RVUPLSPJYKJXPA-UHFFFAOYSA-N	317.324	1.209	50	20	DDGD	
OB(O)c1ccc(CNC[C@H]2CCC3(CCCCC3)O2)cc1	585037949	OMNGOOGJZMPXGW-MRXNPFEDSA-N	303.211	1.338	50	20	DDGD	
C[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)[C@H]1C[C@H]2CC[C@H]1C2	584926866	FBEJGXVENQBHCS-MPPDQPJWSA-N	305.158	1.060	50	20	DDGD	
C=CC(C)(C)CNC(=O)NNC(=O)CNC(=O)c1cccs1	836269274	UDBUOCMNZIIVKK-UHFFFAOYSA-N	324.406	1.021	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2C[C@]23CCOC3)c(F)c1	837206750	GPGFDUKEMUIVNJ-BMIGLBTASA-N	308.309	1.482	50	20	DDGD	
CCN(CCc1ccccn1)[C@H](C)C(=O)NNC(=O)CC(C)C	732198296	LJEOPNSPPUZIAX-CQSZACIVSA-N	320.437	1.528	50	20	DDGD	
Cc1ccc(OCCNC(=O)NNC(=O)C2CCC2)c(C)c1	732238731	ZMRPYMJAOVGCGX-UHFFFAOYSA-N	305.378	1.813	50	20	DDGD	
COCCN(C)NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1	837625623	RZGAFIIENUKFKI-UHFFFAOYSA-N	313.361	1.275	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cc2c(cn1)CCC2	836701520	CRIXTSRTHCFVFQ-UHFFFAOYSA-N	300.322	1.518	50	20	DDGD	
CC[C@](C)(CNC(=O)NNC(=O)COc1cccc(C)c1)OC	836192973	FORQXISETMSWGQ-MRXNPFEDSA-N	323.393	1.519	50	20	DDGD	
COc1ccc(NCC(=O)NN=CCCc2cnoc2)cc1	834920563	MGFFYTFSJWMISQ-UHFFFAOYSA-N	302.334	1.830	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1C(=O)O)c1cc2c(s1)CCCCC2	739455228	XOSVMMYNHYLZRY-ZJUUUORDSA-N	322.386	1.499	50	20	DDGD	
CO[C@H]1COCC[C@@H]1CNC(=O)NNc1cccc([N+](=O)[O-])c1	838659101	PSNJIIBHHTVZIX-MFKMUULPSA-N	324.337	1.272	50	20	DDGD	
CCCn1nc(C(=O)NN=Cc2cc[nH]c2)c2ccccc2c1=O	745193709	FFGSDVWRHZNLIY-UHFFFAOYSA-N	323.356	1.899	50	20	DDGD	
COC(=O)c1cc(NC(=O)[C@]2(C)C[C@H]2Br)nn1C	913024046	QXWBLHVCZAGMLB-RDDDGLTNSA-N	316.155	1.319	50	20	DDGD	
Cc1ncc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])s1	917537580	CZPSWIFQVNZXBC-UHFFFAOYSA-N	320.330	1.889	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)C(=O)c1ccc2c(c1)CCC2	748562977	ZBPKSULTHLCAQE-UHFFFAOYSA-N	314.263	1.458	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1	914755980	DPTIWTZMAIISNQ-GFCCVEGCSA-N	303.362	1.233	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O)C1CC1	745771357	KWVSXCJYMFGGLQ-MRVPVSSYSA-N	322.321	1.291	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(F)c(Cl)c1	843651820	FXGWXVSPPLDJRZ-VXNVDRBHSA-N	300.717	1.665	50	20	DDGD	
C[C@@H](C(=O)NN(C)C[C@@H](C)O)c1ccc(Br)s1	910164355	VHUYJRYAFZLPBG-HTQZYQBOSA-N	321.240	1.958	50	20	DDGD	
N[C@@H](CNC(=O)NNC(=O)Nc1ccc(Cl)cc1)C1CC1	841964879	AZKONAXSAOJPPX-NSHDSACASA-N	311.773	1.413	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)C(C)(C)c2ccccc2)nnn1C	841792578	SOBZGJOFDARKIA-UHFFFAOYSA-N	316.365	1.254	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)CCc1ccccc1)C(C)C	745927884	MTDIEVLUSKIKQK-CQSZACIVSA-N	307.394	1.621	50	20	DDGD	
Cc1ncsc1C=NNC(=O)c1cccc(S(C)(=O)=O)c1	743437081	ITXOVEZCMNRBJY-UHFFFAOYSA-N	323.399	1.619	50	20	DDGD	
CO[C@@H](CC(=O)NNc1ncccc1[N+](=O)[O-])C(F)(F)F	846639064	MZDUPKRXXYQGAD-ZETCQYMHSA-N	308.216	1.400	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@]1(Cl)C[C@H]2CC[C@H]1O2)C1CC1	912161186	QMPUXOXLUYBSBC-YTDXRRJTSA-N	317.842	1.209	50	20	DDGD	
CCn1cncc1C=NNC(=O)Cc1nc2ccccc2n1C	841611243	YUKTVBFUBUYAQX-UHFFFAOYSA-N	310.361	1.483	50	20	DDGD	
Cc1cccc(C)c1OCCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843648189	WJXCIFGMCLZRCO-UONOGXRCSA-N	320.389	1.645	50	20	DDGD	
O=C(NNS(=O)(=O)Cc1cccc(Cl)c1)C1CCC1	848451873	IDTKVENLQHJLJQ-UHFFFAOYSA-N	302.783	1.591	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(F)c(Cl)cc1F	843659642	IHORWHVFPKKZAM-NKWVEPMBSA-N	318.707	1.804	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843654729	GOTCGZVZKYBWIJ-MQYQWHSLSA-N	312.410	1.544	50	20	DDGD	
CCCN1C[C@@H](C(=O)OC[C@@H](C)CBr)CC1=O	840665825	FEQGAWWACGUZCA-UWVGGRQHSA-N	306.200	1.819	50	20	DDGD	
CC[C@H](C)OCC(=O)NNc1ncc(Br)cn1	848321235	MVCSPLPPHWDYTP-ZETCQYMHSA-N	303.160	1.497	50	20	DDGD	
COc1cccc(NNC(=O)NCc2ccc(C)c(C)n2)n1	841590760	WVFSHOSDBPYHEX-UHFFFAOYSA-N	301.350	1.928	50	20	DDGD	
CCS(=O)(=O)CCCNC(=O)NNc1c(C)cccc1F	840471616	HIHNNMPJQHJAQR-UHFFFAOYSA-N	317.386	1.585	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1c[nH]c2cccc(F)c12	843978998	LTEJDEZBYQGUQR-DTWKUNHWSA-N	305.309	1.493	50	20	DDGD	
C=CCS(=O)(=O)CCNC(=O)NNc1cc(F)ccc1F	921902250	XBGHHRZGMXORNI-UHFFFAOYSA-N	319.333	1.192	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1cnc2c(c1)C[C@H](N)CC2	841324382	IJJJOTPIZDRMCC-SNVBAGLBSA-N	305.382	1.096	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@@](O)(CN2CC=C(C#N)CC2)C1	846840989	MDOPWDJMOXYYDS-QGZVFWFLSA-N	321.421	1.904	50	20	DDGD	
CSc1ccc(C(=O)NNC(=O)NCC2CC2)cc1[N+](=O)[O-]	920860212	RHYSWXSSBMYQNP-UHFFFAOYSA-N	324.362	1.671	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NN=Cc2cc[nH]n2)cc1	755563007	KVOWCJIYIMGFHP-LLVKDONJSA-N	302.334	1.726	50	20	DDGD	
CC(C)C[C@H]1CN(C)CCN1S(=O)(=O)CBr	922025543	JRRCRRPMFOGCFR-JTQLQIEISA-N	313.261	1.331	50	20	DDGD	
O=C(CCc1ccncn1)NNc1ncccc1C(F)(F)F	757660795	GPDACSVYZNXQQM-UHFFFAOYSA-N	311.267	1.966	50	20	DDGD	
CN1CCOc2ccc(NC(=O)NNC(=O)C3CCCC3)cc21	756850914	PIEOPTNHUGRIBI-UHFFFAOYSA-N	318.377	1.858	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1coc2ccc(C)cc12	858782903	CJQLWTGRVWWLDG-UHFFFAOYSA-N	319.361	1.651	50	20	DDGD	
C[C@]1(CNC(=O)Cn2cc(Cl)cn2)C[C@@H]1Br	857389117	YFNNNXQANQIDHS-WCBMZHEXSA-N	306.591	1.826	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@H]1CCc2nnnn2CC1	854184744	PKSDNRFUCOFLRS-NSHDSACASA-N	319.344	1.152	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)CC(F)(F)F)c1ccccc1	920299660	LNPKXAHKLTVZJE-LLVKDONJSA-N	304.268	1.864	50	20	DDGD	
CC[C@](O)(CC(=O)NNC(=O)C1CCOCC1)c1ccccc1	923057422	IPYCKDLJCCCVKE-KRWDZBQOSA-N	320.389	1.248	50	20	DDGD	
C=C[C@@](C)(O)C(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1	854236862	NKXMWHKVIMYBDB-MRXNPFEDSA-N	322.361	1.180	50	20	DDGD	
O=C(NN=Cc1cccc(F)c1F)[C@@H]1CN2CCC[C@@H]2CO1	853388059	ZQILIEPYPXYZCC-YPMHNXCESA-N	309.316	1.278	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)C[C@@H]1Br	857385927	NUQJQRBBDLJIGZ-PJXCNYELSA-N	300.196	1.891	50	20	DDGD	
C[C@H](Cc1cncc2ccccc12)C(=O)NNc1cnnn1C	857270393	APMHMKMXQYRRBR-LLVKDONJSA-N	310.361	1.685	50	20	DDGD	
O=S(=O)(CCl)NCc1ccc(N2CCC(O)CC2)cc1	851844439	YIBOXXVYKFQNEZ-UHFFFAOYSA-N	318.826	1.263	50	20	DDGD	
CC1(C)OCC(NC(=O)NNc2c(F)cccc2F)CO1	758726464	DEKKELRMWWZHHQ-UHFFFAOYSA-N	301.293	1.742	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)C[C@@](C)(O)c1ccccc1)C1CC1	855099883	PUAOUUKKAQIKKE-BDJLRTHQSA-N	321.446	1.578	50	20	DDGD	
CCCC[C@@H](C(=O)O[C@@H](C)C(=O)NNC(=O)CC)C(C)C	856977996	YRAGIYHLSONCDA-NWDGAFQWSA-N	300.399	1.938	50	20	DDGD	
CC(C)Oc1cc(CNC(=O)NNC(=O)C2CCC2)ccn1	752696680	DFDYDTQJHJZGSO-UHFFFAOYSA-N	306.366	1.499	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1snc(Cl)c1Cl	923057719	IAIILWSPELZXCW-UHFFFAOYSA-N	324.189	1.638	50	20	DDGD	
CC(C)(C)SCCCC(=O)NNc1ccc(C(N)=O)nn1	754476222	KYHCLNKKPWIMTO-UHFFFAOYSA-N	311.411	1.331	50	20	DDGD	
CC1=NO[C@H](C(=O)NNC(=O)c2cc3c(s2)CCCCC3)C1	854249537	GUCRPRAOOJVXFA-NSHDSACASA-N	321.402	1.943	50	20	DDGD	
O=C(NNC(=O)[C@H]1OCCc2ccccc21)OCC(F)(F)F	856021906	MKQXRGZXEDKZBL-JTQLQIEISA-N	318.251	1.620	50	20	DDGD	
C[C@@H](CCc1ccc(O)cc1)NC(=O)NNC(=O)c1cn[nH]c1	858125564	KCZQBKDBFGLSEY-JTQLQIEISA-N	317.349	1.081	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc2cccnn12)C1CC1	855098864	NBYQAYUEGGABBW-SECBINFHSA-N	303.391	1.242	50	20	DDGD	
CC[C@@H](Oc1ccccc1Cl)C(=O)NNc1cnnn1C	857271375	KMABFASOAAEBKJ-SNVBAGLBSA-N	309.757	1.769	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ccc(Cl)cn2)CCCC1	856093970	SUDAONAVWVKZQT-UHFFFAOYSA-N	317.798	1.536	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1ncc(C(C)C)s1	755395029	DTVQWXLXWXELBP-UHFFFAOYSA-N	308.367	1.765	50	20	DDGD	
Cc1nc(C)c(CCC(=O)NN=c2cc[nH]cc2Cl)c(O)n1	757419003	QLJZJGJJHPFDEV-UHFFFAOYSA-N	321.768	1.345	50	20	DDGD	
O=C(Cc1ccc2c(c1)NC(=O)C2)NNc1nc2ccccc2[nH]1	753436225	XZUYVLIVXDLJCV-UHFFFAOYSA-N	321.340	1.743	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@]2(C)CCc3ccccc3C2)n[nH]1	768277311	JOMMPBRAXZIJRW-KRWDZBQOSA-N	312.373	1.674	50	20	DDGD	
Cc1cc(NNC(=O)c2csc(S(C)(=O)=O)c2)ncn1	767149931	FBSQRBJXOKQILL-UHFFFAOYSA-N	312.376	1.007	50	20	DDGD	
COCc1cc(C(=O)NNc2cc(C#N)cc(Cl)n2)no1	768703125	QQEQXVKCPXOHDT-UHFFFAOYSA-N	307.697	1.498	50	20	DDGD	
CS(=O)(=O)CCCC(=O)NNc1cccc(F)c1Cl	862509281	INXKVNJIUWWSLD-UHFFFAOYSA-N	308.762	1.747	50	20	DDGD	
CCC(C)(C)CC(=O)NNC(=O)CCNC(=O)OC(C)(C)C	760437835	LHWWOBCKIJDYIA-UHFFFAOYSA-N	315.414	1.875	50	20	DDGD	
COCC[C@@H](C)NC(=O)NNc1ccccc1S(C)(=O)=O	765728629	NKPATTJKVVNYHV-SNVBAGLBSA-N	315.395	1.141	50	20	DDGD	
O=C(/C=C\CN1CCOCC1)NNc1ccc([N+](=O)[O-])cc1F	869256893	SPEBLFWXTMLFQH-UPHRSURJSA-N	324.312	1.065	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)CCNC(C)(C)C)cc1	935860880	SAIIADGHXWBOFP-UHFFFAOYSA-N	321.425	1.684	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N(CCc1ccccc1)C1CC1	865044499	QJEGHEIKCFICMX-UHFFFAOYSA-N	309.174	1.214	50	20	DDGD	
CC(C)(CCC(=O)NNC(=O)c1cn[nH]c1)c1ccccc1	862472189	HSDOLDBLBGWZJA-UHFFFAOYSA-N	300.362	1.929	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)c2ccc3ccccc3c2)nn1	766557192	YVRDXUFTKFVRJN-UHFFFAOYSA-N	323.356	1.916	50	20	DDGD	
O=C(NNc1cccc2cnccc12)c1cc2n(n1)CCCO2	762145096	SWEVJOVUDRXEFX-UHFFFAOYSA-N	309.329	1.971	50	20	DDGD	
Cc1cc(Cl)ccc1NC(=O)NNC(=O)[C@H]1CCC(=O)N1	860234195	VVOQHYWZYORWOP-SNVBAGLBSA-N	310.741	1.080	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H]2CCN(C(=O)c3ccccc3)C2)cc[nH]1	862516281	OADDRTJGFBMWOI-HNNXBMFYSA-N	324.384	1.417	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](C)[C@H]1CCCN(C2CCC2)C1	875477169	IVDYXRURBLJIDM-RYUDHWBXSA-N	312.414	1.552	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](C)Oc1ccc(C#N)cc1	764469894	RQDHDLDMIKAZBH-JTQLQIEISA-N	313.317	1.267	50	20	DDGD	
CN1CCC[C@@H]1C(=O)NNC(=O)c1nc2ccccc2s1	874913959	WZMLUHGBRKYBEZ-SNVBAGLBSA-N	304.375	1.152	50	20	DDGD	
COCCOCC(=O)NN=Cc1nc2ccccc2nc1C	872400920	YGSIIYJJRJGMCP-UHFFFAOYSA-N	302.334	1.051	50	20	DDGD	
CCCCCNC(=O)/C(C#N)=C\c1c[nH]nc1C(=O)OCC	1116302582	ZIAQGQKIYTUFET-FLIBITNWSA-N	304.350	1.800	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCCO2)[C@H]1CCCOC1	779768533	LNZCXNGVLNUBIA-ZDUSSCGKSA-N	304.346	1.990	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CC23CCC3)cc1	876428207	VHDVRZWDFUCUCR-ZDUSSCGKSA-N	303.362	1.647	50	20	DDGD	
COc1c([N+](=O)[O-])ccc(C=NNC(=O)c2ccc[nH]2)c1O	773032227	IGJSUBHYCJQSPO-UHFFFAOYSA-N	304.262	1.401	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@@H](O)Cc1ccccc1Cl	773517405	PRNHRGGHWXYONU-NSHDSACASA-N	310.716	1.316	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(NC(=O)C2CC2)cc1	887139416	OBEUSTXOKIIUKH-UHFFFAOYSA-N	313.357	1.600	50	20	DDGD	
Cn1c(=NNC(=O)c2cccc3nn[nH]c23)sc2ccccc21	780978439	GRYHPUOPBKFZAE-UHFFFAOYSA-N	324.369	1.757	50	20	DDGD	
CCn1cc(CC(=O)NNc2ccc(Br)nc2)cn1	781933305	WHIQGBMOOHXTKZ-UHFFFAOYSA-N	324.182	1.746	50	20	DDGD	
Cc1sc(C(N)=O)cc1NS(=O)(=O)CCCCCl	788056423	FHWDZZRFRHRYLR-UHFFFAOYSA-N	310.828	1.916	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N[C@@H]1CC[C@@H](C)C1	780782249	IOECUFVNZVQDBC-ZYHUDNBSSA-N	315.377	1.775	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)[C@H](C)C2(C)C)n[nH]1	780976238	MWKQPDFVRAZUMW-VHSXEESVSA-N	306.366	1.121	50	20	DDGD	
C#Cc1cccc(NC(=O)C(=O)NNc2ccc(Cl)nc2)c1	784871554	OGMDDQJOGSDVKG-UHFFFAOYSA-N	314.732	1.798	50	20	DDGD	
N#C/C(=C/c1ccccc1)C(=O)OCC(=O)NC1(C#N)CCC1	785351064	TUUQZVLMTOJYAL-ZROIWOOFSA-N	309.325	1.699	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccc(Oc2cnccn2)c1	780708897	MIULBJZAIMCSCX-UHFFFAOYSA-N	315.333	1.575	50	20	DDGD	
COc1cc(C(=O)NN=c2cc[nH]cc2)cnc1Br	788526588	NTVMRBFRLGDGSZ-UHFFFAOYSA-N	323.150	1.427	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(NC(C)=O)ccc1C	781022641	GDENHDCXJLJLSC-UHFFFAOYSA-N	306.391	1.248	50	20	DDGD	
CN(C)[C@H]1CCCC(=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)C1	788420246	TWKZDNITMZDYBN-ZDUSSCGKSA-N	319.365	1.767	50	20	DDGD	
COc1cccc(C[C@@H](O)C(=O)NNc2cccc(C#N)c2)c1	785416409	RMIXQJRZLGAUPY-MRXNPFEDSA-N	311.341	1.614	50	20	DDGD	
O=C1CC[C@@H]2CN(C[C@@H](CBr)C3CC3)CCN12	701837323	GLYYMZKFMYWHIH-VXGBXAGGSA-N	301.228	1.714	50	20	DDGD	
Cc1cc(F)cc(-n2cc(C(=O)NNc3cnccn3)nn2)c1	790029948	YGQUOZLZERESQL-UHFFFAOYSA-N	313.296	1.262	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C[C@@H](CC#N)c1ccccc1	793455417	GKVPKVOCMVYJRS-CYBMUJFWSA-N	311.345	1.567	50	20	DDGD	
Cc1cnn(C)c1C=NNC(=O)c1nnc(O)c2ccccc12	794872592	HPAAYDPLHFQXJR-UHFFFAOYSA-N	310.317	1.141	50	20	DDGD	
CN(C)c1nccc(NNC(=O)Cc2ccc3n[nH]cc3c2)n1	795120736	NSHGSTDNGBDYJZ-UHFFFAOYSA-N	311.349	1.105	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@@H](C)[C@@H](C)N1CCOCC1	791027060	VPPRXTBONVXMFZ-QWHCGFSZSA-N	307.398	1.125	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=C(C)c2ncc[nH]2)o1	790160182	XUPREXLJPBPBCO-UHFFFAOYSA-N	303.366	1.999	50	20	DDGD	
CC[C@H](C)n1ncc(NC(=O)NNC(=O)c2cnccn2)c1C	792481751	MCWHUHHRJCGEDA-VIFPVBQESA-N	317.353	1.419	50	20	DDGD	
CCOC1(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCCC1	790084435	XDYDOTFMXMINQQ-UHFFFAOYSA-N	321.333	1.705	50	20	DDGD	
OB(O)[C@H]1CCN(Cc2cc(F)cc(Br)c2)C1	585077178	SFFQEHYQKPXXGP-VIFPVBQESA-N	301.952	1.637	50	20	DDGD	
C[C@H]1SCCN(CC(=O)NNC(=O)c2cccs2)[C@@H]1C	777589671	UXYVUUIVTMHSKS-NXEZZACHSA-N	313.448	1.335	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H]1CC(=O)N(C)c2ccccc21	1324518098	ZYYTYQBAKSDKNY-ZDUSSCGKSA-N	310.357	1.983	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1n[nH]c2c1CCCC2)c1ccccc1	1320911767	IKLGNTXCPPODEQ-LLVKDONJSA-N	312.373	1.853	50	20	DDGD	
COc1ccccc1C1(C(=O)NNC(=O)c2ccc[nH]2)CCC1	1321111923	SYHOHWWBOFZLIJ-UHFFFAOYSA-N	313.357	1.906	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@@]1(C)CCCc2ccccc21	1327985696	SSVDGCLAYUBESV-KRWDZBQOSA-N	303.406	1.631	50	20	DDGD	
CN(C)c1ccc(C(=O)NNc2nncc(N)c2Cl)c(F)c1	1322911180	FNELIRISVNZAGV-UHFFFAOYSA-N	324.747	1.674	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNC(=O)c1ccc(OC)cc1	1324740216	PWOIFGHWGWQJIR-OLZOCXBDSA-N	307.350	1.207	50	20	DDGD	
Cn1nc2ccccc2c1C(=O)NNc1cc(Cl)nc(N)n1	1320691793	SLQDHOJXRZFSRS-UHFFFAOYSA-N	317.740	1.356	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1ccc2c(=O)[nH]ccc2c1	1325942031	OYEBGIFENDEPDK-UHFFFAOYSA-N	316.361	1.278	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CCCC[C@@H]2N(C)C)c1	1328783620	POVBNMYXIIOIOJ-NEPJUHHUSA-N	324.450	1.873	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)[C@@]1(F)CCOC1	1330138136	LNDLPNVHERNWRP-GFCCVEGCSA-N	309.326	1.172	50	20	DDGD	
CC(C)(C=NNC(=O)Cc1ccc(Cl)cc1)S(C)(=O)=O	1335767478	CGGYXGWZURJYEO-UHFFFAOYSA-N	316.810	1.808	50	20	DDGD	
CCc1nc(C)c(C(C)=NNC(=O)C[n+]2ccccc2)s1	1256369884	IPLOUEQGDRLGTM-UHFFFAOYSA-O	303.411	1.842	50	20	DDGD	
Cn1ccc(NNC(=O)[C@H]2CCCCN2Cc2ccccc2)n1	1256183414	CXYGDVIYMHHNME-OAHLLOKOSA-N	313.405	1.918	50	20	DDGD	
O=C(CCl)N1CCN(Cc2nc(-c3ccccc3)no2)CC1	1253963061	KFMCNDDKOSVOPG-UHFFFAOYSA-N	320.780	1.620	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccn(CC(F)(F)F)n1	1335539866	KKDSCKZCARHZPR-UHFFFAOYSA-N	323.344	1.353	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CCOc1ccccc1C	1255109755	AAYYWQWLGYECHY-LBPRGKRZSA-N	322.361	1.253	50	20	DDGD	
CCCn1cc(C(=O)NNC(=S)NCCSC)c(C)n1	1338935672	AXWGYCXTDUPYBJ-UHFFFAOYSA-N	315.468	1.073	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1sc2ncccc2c1N	1261904661	LCEAMHUAFOKJPD-UHFFFAOYSA-N	309.420	1.396	50	20	DDGD	
COCCN(C)NC(=O)c1ccccc1-n1ccc(C2CC2)n1	1348624197	XBIDAONENYHKJL-UHFFFAOYSA-N	314.389	1.973	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CCc3nnc(O)n3C2)cc1F	1358436021	FJZJBUUGKPLHND-VIFPVBQESA-N	305.313	1.137	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1cscc1Cl	1354667714	SASFDFFXNNKWNH-UHFFFAOYSA-N	313.766	1.291	50	20	DDGD	
C[C@@]1(C(=O)N2C[C@@H](C(=O)O)[C@H](C3CC3)C2)C[C@@H]1Br	1604486429	WJFJNRSPVFKYES-MPXOCVNLSA-N	316.195	1.729	50	20	DDGD	
CN(C)c1cnc(C(=O)NNc2ccc(F)c(C(=O)O)c2)cn1	1606066200	ZJKUHBCIDRWFAY-UHFFFAOYSA-N	319.296	1.137	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCc2ccccc2)oc1C(=O)O	1607580415	NIKGIXARWLLKOQ-UHFFFAOYSA-N	316.313	1.680	50	20	DDGD	
O=C(O)[C@]1(C(=O)NNc2cccc3c2CCCC3)CCCO1	1605935348	HDVZUYYVWJFADQ-MRXNPFEDSA-N	304.346	1.642	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cc(C)[nH]c2C(=O)O)cc1	1600463310	QQTHXGDJWOITGF-UHFFFAOYSA-N	316.317	1.412	50	20	DDGD	
O=C(O)CNC(=O)NN=C1CCCOc2cc3c(cc21)CCC3	1602071358	PMKDLWWIQFMVPJ-UHFFFAOYSA-N	317.345	1.436	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@]23C[C@H]2COC32CCC2)cc1F	1602383288	BXNMFKUFNYGXPH-FVMDXXJSSA-N	320.320	1.926	50	20	DDGD	
Cc1c([C@@H](C)NC(=O)NNc2cccc(C(=O)O)c2)cnn1C	1600008250	ASITXOWWAVQXEL-SECBINFHSA-N	317.349	1.814	50	20	DDGD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NNc1ccc(C(=O)O)c(F)c1	1604619953	HIXQPJMEKOYKQU-BDAKNGLRSA-N	308.309	1.972	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2CCn3cncc3C2)cc1F	1602385466	WDVIIBJGCXQCBO-VIFPVBQESA-N	318.308	1.426	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ncoc2[C@@H]2CCCO2)nc1	1608905253	KPXNQCMXKBOINY-VIFPVBQESA-N	318.289	1.376	50	20	DDGD	
O=C(NNc1ncccn1)Nc1cc(C(=O)O)cc2cccnc12	1601562261	XDGUVFKBKGQEEU-UHFFFAOYSA-N	324.300	1.872	50	20	DDGD	
C[C@H]1C[C@H](c2ccccc2)C[C@H](NC(=O)NNC(=O)C(=O)O)C1	1604676193	LEQJYXFNGXEOCU-WCFLWFBJSA-N	319.361	1.374	50	20	DDGD	
O=C(O)[C@@H]1[C@H]2CCC[C@H]2CN1CCCI	1610735564	HZGHFXIOUNCBHZ-GUBZILKMSA-N	323.174	1.997	50	20	DDGD	
CC[C@@H]1CC(=NNC(=O)[C@H]2CCCO[C@@H]2c2nccn2C)CO1	1549314440	HRRDOEPAXRMWLN-RDBSUJKOSA-N	320.393	1.559	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@@H]2C=NNC(=O)c2cccnc2)cn1	1552448574	UTWBEDWTDHHGKU-IUODEOHRSA-N	313.361	1.791	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@H]2C=NNC(=O)[C@@H]2CCCO2)cn1	1552455524	YYORSGSMWLSMOC-FPMFFAJLSA-N	306.366	1.262	50	20	DDGD	
O=C(O)[C@@H]1CCCN1S(=O)(=O)c1ccc(CCl)cc1	1574845830	ZVCBRXUCXCWOKZ-NSHDSACASA-N	303.767	1.663	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1[C@H]2CCNC[C@H]21	1580737742	XMPURJPDXQWVQI-YGOYTEALSA-N	310.741	1.547	50	20	DDGD	
C[C@H](CC(=O)NNc1cccc(-c2nn[nH]n2)c1)n1ccnc1	1589793043	NWJKPUZRKWILPI-SNVBAGLBSA-N	312.337	1.158	50	20	DDGD	
CCOCC(=O)N1CC2(CCCN2C(=O)[C@@H](Cl)CC)C1	1845164319	ZHEUIIXIYQKHGS-NSHDSACASA-N	302.802	1.244	50	20	DDGD	
C=CC(=O)N(CC)CC(=O)NNc1cccc(C(=O)O)c1C	1588654047	AHAWUXCCAKFWQT-UHFFFAOYSA-N	305.334	1.171	50	20	DDGD	
CC1(C)C[C@]1(C(=O)O)C(=O)NNC(=O)CCc1ccccc1	1589219007	GAVRZHSSQMVQEX-MRXNPFEDSA-N	304.346	1.268	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](CC(=O)O)c1ccc(OC)cc1	1596864984	YRYNZBRBYTXICW-HCYCVZQXSA-N	318.329	1.771	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccc(C(=O)O)cn2)s1	1598960322	VJZQBEHXDPNFIY-UHFFFAOYSA-N	321.314	1.385	50	20	DDGD	
COc1cncnc1NC(=O)NNc1ccc(C(=O)O)cc1F	1599727839	WMCRTGYRCCBVRY-UHFFFAOYSA-N	321.268	1.471	50	20	DDGD	
Cc1ccc(NNC(=O)c2cc(-c3nn[nH]n3)ccn2)cc1F	1592185224	ORVZFMIHKXOGAO-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
O=C(NCc1cccc(C(=O)O)c1)NNc1ncccc1F	1594771785	ZTITXFCANUSPMF-UHFFFAOYSA-N	304.281	1.745	50	20	DDGD	
C[C@@]1(C(=O)O)CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C1	1593784240	IMEPCQLGWGZRPL-IYCSXQJISA-N	300.314	1.622	50	20	DDGD	
O=C(O)COc1ccc(C(=O)NNc2ncccc2F)cc1	1595119078	LEIZDYBMYWDLOT-UHFFFAOYSA-N	305.265	1.441	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)c2cncc(C(=O)O)c2)cc1	1776021081	WHRUCNKVCXAEKI-UHFFFAOYSA-N	313.313	1.942	50	20	DDGD	
CO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl	1796810084	OWPBDOSIZBYBDK-KAMPLNKDSA-N	306.765	1.194	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cnn(-c2ccccc2)c1	14841521	MGIUKHUTNHXWLH-UHFFFAOYSA-N	303.391	1.390	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)C[C@@H]2CCS(=O)(=O)C2)c1	150800969	VKKIETXVFCIDPN-JTQLQIEISA-N	300.355	1.402	50	20	DDGD	
C[C@H]1CCC[C@@H](C(=O)NNC(=O)COc2ccc(C#N)cc2)C1	158377692	UBJSYPDLBRLXJW-GXTWGEPZSA-N	315.373	1.911	50	20	DDGD	
CCCCC[C@@H](C)CC(=O)NNC(=O)C(=O)Nc1ccccn1	152158733	JIOLAVNSUQZTPJ-GFCCVEGCSA-N	320.393	1.774	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(Cn3cccn3)cc2)[nH]n1	152957278	QFSJQJNMJZFXCF-UHFFFAOYSA-N	324.344	1.038	50	20	DDGD	
CC[C@H](OC1CCCCC1)C(=O)NNC(=O)c1ccncc1	155097851	AXULBUYKTYDUNJ-AWEZNQCLSA-N	305.378	1.971	50	20	DDGD	
CC(C)c1nc(C(=O)NNc2ncnc3nc[nH]c23)cs1	156307689	PXDJRQITELYUHM-UHFFFAOYSA-N	303.351	1.690	50	20	DDGD	
O=C(CCCn1cccc1)NNC(=O)Cc1ccc(F)cc1	155865193	ANEBUHOBHYWAGD-UHFFFAOYSA-N	303.337	1.798	50	20	DDGD	
CCc1nn(C)c(Cl)c1C(=O)NNc1ccc(OC)cn1	159270060	WFIVDPVSLSSEDH-UHFFFAOYSA-N	309.757	1.796	50	20	DDGD	
CN(C[C@H](O)Cn1cccn1)NC(=O)OCc1ccccc1	859387660	FZXVYMPKDRZZJJ-AWEZNQCLSA-N	304.350	1.017	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1Cc2ccccc2N1C(C)=O	102339889	YQBCOAQOKUTKCG-AWEZNQCLSA-N	318.377	1.095	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@H](C)N(C)C1CC1	109173949	SNFXNXUOCWHFTA-NSHDSACASA-N	320.393	1.122	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)CC(C)(C)C	171483229	QFLQKXAKGZACQM-IINYFYTJSA-N	306.362	1.799	50	20	DDGD	
CC(C)COCCCNC(=O)NNC(=O)Cc1cccnc1	103508376	KJJLNWGLILYUIG-UHFFFAOYSA-N	308.382	1.017	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccc(-n2cccn2)c1	116736054	IYGALHAIMMGMIV-UHFFFAOYSA-N	301.350	1.616	50	20	DDGD	
CCn1c(=O)n(CC(=O)NNC(=O)CC(C)C)c2ccccc21	21973101	QWNDLPLQCPNISC-UHFFFAOYSA-N	318.377	1.016	50	20	DDGD	
CCc1cc(NNC(=O)c2cn(C)cn2)nc(-c2ccccn2)n1	179077873	MIPRVHUCGADAGV-UHFFFAOYSA-N	323.360	1.591	50	20	DDGD	
CCS(=O)(=O)CC(=O)NNC(=O)c1cccc2ccccc12	172870386	KGMBPZRKAXSJSL-UHFFFAOYSA-N	320.370	1.036	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC[C@H](c2ccc(OC)cc2)C1	111211768	LIJVJUDKRSIYFF-OCCSQVGLSA-N	319.405	1.430	50	20	DDGD	
O=C(NNC(=O)c1ccc(COc2ccccc2)o1)NC1CC1	29657505	OBBLZVVSBWWLRX-UHFFFAOYSA-N	315.329	1.965	50	20	DDGD	
CCc1ccc(-c2cc(C(=O)NNC(=O)[C@H](C)OC)[nH]n2)cc1	178006219	NZNSHZBVLSHTKD-JTQLQIEISA-N	316.361	1.435	50	20	DDGD	
Cc1nc(COc2ccc(C(=O)NNC(=O)C3CC3)cc2)no1	29509362	OZPBLEQDYKYGLC-UHFFFAOYSA-N	316.317	1.128	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C(F)(F)C(F)F)cc1	175768269	CCZXESKIKKQBAB-UHFFFAOYSA-N	322.258	1.676	50	20	DDGD	
Cc1cccc2nc(CNC(=O)NNC(=O)c3ccc[nH]3)cn12	171765750	HPPPDCIJKVNJMM-UHFFFAOYSA-N	312.333	1.115	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNC(=O)COc1cccc(C)c1	65579384	YLEOKVLOCJWFHB-ZDUSSCGKSA-N	308.378	1.726	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCc1nc(C)no1)c1ccccc1	111853104	KXYYSWSDSJJCMQ-LBPRGKRZSA-N	317.349	1.402	50	20	DDGD	
CC(C)Sc1ccc(C(=O)NNC(=O)c2cnn(C)c2)cc1	117681210	ZKZKQDQNCBNAAG-UHFFFAOYSA-N	318.402	1.995	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccccc1O	23566869	WOAOYYWRXWHWHF-JTQLQIEISA-N	318.304	1.760	50	20	DDGD	
CCC(CC)[C@@H](C(=O)NNC(=O)C(C)(C)C)N1CCOCC1	173110409	PCFXOEYOAARQHY-ZDUSSCGKSA-N	313.442	1.317	50	20	DDGD	
CN1C(=O)CC[C@H](C(=O)NN)[C@@H]1c1ccc(C(F)(F)F)cc1	121190612	VWIGXKFNFVCSHT-JQWIXIFHSA-N	315.295	1.605	50	20	DDGD	
O=C(Cc1ccn[nH]1)NNC(=O)CC12CC3CC(CC(C3)C1)C2	120565657	LYGLOAGYYAQKIT-UHFFFAOYSA-N	316.405	1.706	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(F)nc2)c1	72795875	BLHCSKKRHHAHJP-UHFFFAOYSA-N	317.320	1.678	50	20	DDGD	
Cc1sc(C(=O)NNC(=O)CO)cc1-c1ccc(F)cc1	180966739	BYIDJYYZQZFCKT-UHFFFAOYSA-N	308.334	1.616	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H]2CCCO2)cnn1-c1ccccc1	32259991	MZHFCEONFKKFQO-AWEZNQCLSA-N	314.345	1.121	50	20	DDGD	
CN(NC(=O)COc1ccc(Br)cc1F)C(N)=O	181085719	KVBFYEOWZWDELD-UHFFFAOYSA-N	320.118	1.009	50	20	DDGD	
Cc1ccc2c(c1)N(C(=O)C(=O)NNC(=O)CC(C)(C)C)CC2	126098658	UYQMPWOSJNTQDP-UHFFFAOYSA-N	317.389	1.468	50	20	DDGD	
C/C=C/C[C@@H](CO)NC(=O)NNC(=O)c1cc2ccccc2o1	185796063	HQVZXMAVCHEIOX-JDGPPOGSSA-N	317.345	1.704	50	20	DDGD	
COc1ccc2c(ccn2CC(=O)NNc2ncc(F)cn2)c1	123365177	UXCVTZIBNIJNPH-UHFFFAOYSA-N	315.308	1.722	50	20	DDGD	
CCc1ccc(S(C)(=O)=O)cc1C(=O)NNc1ncccn1	129900422	ZVDXUOHFLSURBJ-UHFFFAOYSA-N	320.374	1.199	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(C(=O)N(C)C)c(C)c1	186034075	QOJFYWVVZMDCDJ-SNVBAGLBSA-N	320.393	1.896	50	20	DDGD	
CC[C@@H]1C[C@@H](C(=O)NNC(=O)CNc2ccc(C)cc2)CCO1	182972983	UNCBSILDJPHKOA-DZGCQCFKSA-N	319.405	1.760	50	20	DDGD	
C[C@@H](NCC(=O)NNC(=O)c1ccc(F)cc1)c1ccccn1	182493978	JYWLWWWXFQMDEE-LLVKDONJSA-N	316.336	1.333	50	20	DDGD	
CCOCCNC(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C	131907528	RNIJNRHMFXPHDD-LFIBNONCSA-N	319.405	1.811	50	20	DDGD	
COc1ccc2nc(NNC(=O)Cc3ccn[nH]3)c(C)cc2c1	183187204	UXTRXLOINRDIES-UHFFFAOYSA-N	311.345	1.961	50	20	DDGD	
C[C@H](CN1CCOCC1)NC(=O)NNc1ccccc1Cl	46479738	CKRYETUBAPQRFI-LLVKDONJSA-N	312.801	1.687	50	20	DDGD	
O=C(C[C@H]1COC(=O)C1)NNc1ncc(Cl)cc1Cl	132497295	INZVRMAPZRSYRN-ZCFIWIBFSA-N	304.133	1.785	50	20	DDGD	
Cc1cccnc1C(F)(F)C(=O)NNC(=O)c1cccnc1	193888171	VJAGNRVJOUWFSE-UHFFFAOYSA-N	306.272	1.338	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C1CC1	48185187	OTYKIZSCJIGGKD-SNVBAGLBSA-N	321.764	1.250	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccc([N+](=O)[O-])s1	81027982	GGQDXPYODKEWNC-UHFFFAOYSA-N	306.303	1.055	50	20	DDGD	
Cc1ccnc(NNC(=O)CCN2C(=O)c3ccccc3C2=O)c1	88422356	LEUUJBOMSIXHCE-UHFFFAOYSA-N	324.340	1.519	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1ccc(C#N)c(Cl)c1	48652979	FPCMVIISVPQREP-UHFFFAOYSA-N	303.727	1.151	50	20	DDGD	
C[C@@H](O)C[C@H]1COCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	194866683	AZMDFTHZSGYQLP-ZKCXMQNYSA-N	316.357	1.297	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCc3c(O)cccc32)o1	84441738	XHKGODKLIXNPBP-GFCCVEGCSA-N	315.329	1.925	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc3[nH]cnc3c2)c(O)c1	80387679	DNAMXQCYOKIYEZ-UHFFFAOYSA-N	310.313	1.652	50	20	DDGD	
O=C(NNc1ccccc1OC(F)(F)F)[C@]1(O)CCSC1	190185017	YHWBZKNXWKLDAP-NSHDSACASA-N	322.308	1.896	50	20	DDGD	
C[C@H](CBr)CN1CCC[C@@H](CS(C)(=O)=O)C1	381575220	YEMVGFRJZCYHEF-GHMZBOCLSA-N	312.273	1.774	50	20	DDGD	
C[C@H]1CCCN([C@H](C)CNC(=O)NNC(=O)c2ccccc2)C1	249530014	XIFWDQJDMXKOHT-UONOGXRCSA-N	318.421	1.751	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@H](C)N2CCC[C@H](C)C2)n1	249516966	GIAZFRGHQFNPPR-NWDGAFQWSA-N	322.413	1.232	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCCC(=O)OC)cc1	255658425	NJGOMOWROIYWJJ-RAXLEYEMSA-N	302.330	1.672	50	20	DDGD	
CCCN(CCC)CCCC(=O)NNC(=O)Cc1ccncc1	267016857	UKPYORDLOIDBTB-UHFFFAOYSA-N	320.437	1.674	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C2CCSCC2)c1	264933175	YNGYRUDEKIWHER-UHFFFAOYSA-N	322.430	1.973	50	20	DDGD	
COc1cccc([C@@H](C)CC(=O)NNc2nccn(C)c2=O)c1	267832436	WRXBTSYLGYCRIK-NSHDSACASA-N	316.361	1.426	50	20	DDGD	
CN1CCC(C(=O)NNC(=O)c2ccc3ccccc3n2)CC1	266753951	DIEOHFUHONOULH-UHFFFAOYSA-N	312.373	1.338	50	20	DDGD	
COC(=O)c1cc(OC(=O)C[C@H]2COC(=O)C2)ccc1[N+](=O)[O-]	269189253	GZKJUJZITFDCAI-QMMMGPOBSA-N	323.257	1.240	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCCCC#N	273212766	JZQYGRCXJFURAA-JTQLQIEISA-N	308.313	1.227	50	20	DDGD	
COc1ccc(F)cc1CC(=O)NNC(=O)NC1CCCC1	274964758	USMMAMFGBKMQEJ-UHFFFAOYSA-N	309.341	1.650	50	20	DDGD	
Cn1cnc(-c2ccc(NC(=O)NNC(=O)C3CC3)cc2)n1	274678235	VWWHEODEHJDNQX-UHFFFAOYSA-N	300.322	1.045	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2nc3c(s2)COCC3)n1	274792938	OMFFXRRBDXSUKO-UHFFFAOYSA-N	322.350	1.163	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2n[nH]c3c2CCC3)c1	272823408	NGOOHGIZYMPJPO-UHFFFAOYSA-N	300.318	1.442	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNc3nccnc3Cl)(CC1)C2	376983170	QRVGUPPCJQVENE-UHFFFAOYSA-N	324.768	1.697	50	20	DDGD	
COC(=O)COc1cccc(C(=O)N2CC=C(C#N)CC2)c1	272704076	VLJWXUIOFNAENY-UHFFFAOYSA-N	300.314	1.534	50	20	DDGD	
COc1cccc(NNC(=O)Nc2cc(C)n(CCC#N)n2)n1	272697824	SITGAIMMBKKSND-UHFFFAOYSA-N	315.337	1.657	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)CCCC2CCOCC2)n1	282289086	KNGWHTPCKRMNOU-UHFFFAOYSA-N	313.789	1.752	50	20	DDGD	
O=C(Cc1ccc2[nH]ncc2c1)NNC(=O)CC1CCCC1	280037128	LTGALMNSCPBEPW-UHFFFAOYSA-N	300.362	1.833	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CCc1cncc(C)c1	295313610	GFKWUHHKRMGMSL-UHFFFAOYSA-N	323.393	1.259	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNc1nc(-c2ccccc2)no1	294632356	OIMMBDNCFIIAMO-SNVBAGLBSA-N	308.363	1.294	50	20	DDGD	
CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NNc1cccc(F)n1	804769349	CPENOQRIPYPPIL-VIFPVBQESA-N	322.262	1.367	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H](C)CN(C)C(C)C	290779252	RUCKJMGCKNQWGV-GFCCVEGCSA-N	322.409	1.368	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1cnn(CCF)c1	807506974	KYUGSGJVBLOPAV-UHFFFAOYSA-N	315.308	1.451	50	20	DDGD	
COCCN(C)NC(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1	297233247	YQGAPAGKSXEMLY-NSHDSACASA-N	307.177	1.636	50	20	DDGD	
CSc1nnc(CNC(=O)NNc2cccc(F)n2)s1	805322939	IQHNZVPEABTWHK-UHFFFAOYSA-N	314.371	1.620	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C(=O)Nc2cc(C)ns2)c1	807024265	FNXQCCLJBHKBOQ-UHFFFAOYSA-N	324.337	1.681	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C[C@@H](C)CC(C)C	807370674	QZHGZCOLELEEMM-LBPRGKRZSA-N	302.415	1.995	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NNC(=O)CCc1ccc(OC)cc1	299109876	SQAZDKLRJRWTHD-KGLIPLIRSA-N	306.362	1.200	50	20	DDGD	
NS(=O)(=O)c1ccc(F)c(C(=O)NCC(Cl)Cl)c1	808131681	RLMPKRZTROPMLQ-UHFFFAOYSA-N	315.153	1.007	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNC(=O)c1ccccc1OC	805180639	AUYXQCVHXICFOM-UHFFFAOYSA-N	322.361	1.436	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2cn(C)nc2C)cc1C	291064219	ALSUOZOENXQNDB-UHFFFAOYSA-N	316.361	1.971	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N=c2cc(C)[nH]c3ccccc23)n[nH]1	809886775	BLCJKXACVRWWSQ-UHFFFAOYSA-N	324.344	1.463	50	20	DDGD	
O=C(NNC(=O)c1ccc(O)c([N+](=O)[O-])c1)Nc1ccccc1	801992207	DDWYRAQRJXYPDU-UHFFFAOYSA-N	316.273	1.767	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)c1ccccc1	297716976	YMANMAIPTSQAIX-FPMFFAJLSA-N	321.377	1.272	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)CCC(=O)c2cccs2)O1	294131583	GMFSDAXLGDPSBI-ONGXEEELSA-N	310.375	1.426	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1c(F)ccc(O)c1F	809674299	BPVVYJBRAYPATL-UHFFFAOYSA-N	322.267	1.754	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cnccc1C#N)c1ccccc1	805181017	GFJVBHXZMAHSQV-UHFFFAOYSA-N	308.341	1.692	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(=O)c3ccc(F)cc3o2)ncn1	806863256	BSBBNWAJXSTKAO-UHFFFAOYSA-N	314.276	1.787	50	20	DDGD	
CCCCn1ncc(C(=O)NNc2ncncc2F)c1CC	293980246	KYONJEWGWFSICA-UHFFFAOYSA-N	306.345	1.932	50	20	DDGD	
COc1cnc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)nc1	816595451	OCVMPDWFHWPQKA-UHFFFAOYSA-N	321.724	1.605	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCO[C@@H](OC)C2)cc1	819480290	ALOJIXIYRISINB-HFQYIWAZSA-N	316.357	1.824	50	20	DDGD	
COc1cc(C(C)=NNC(=O)Cc2cc[nH]n2)c(OC)cc1O	814957620	KNXCDQUITHUWCY-UHFFFAOYSA-N	318.333	1.215	50	20	DDGD	
Cn1nc(CC(=O)NNC(=O)CC(C)(C)C)c2ccccc21	817718964	OYAJZRJYLDUUPI-UHFFFAOYSA-N	302.378	1.699	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1cccc(CO)c1	813488275	SERVTRLVSIOMKI-UHFFFAOYSA-N	320.370	1.339	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NN=C2COCCOC2)c1C	814749042	UUPODKHPEKAJME-CYBMUJFWSA-N	306.362	1.590	50	20	DDGD	
Cc1cccc2sc(NNC(=O)CSCC(N)=O)nc12	828362340	HXSYTBXUFCFVEQ-UHFFFAOYSA-N	310.404	1.266	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@@H](CC(C)(C)C)C1	827259585	KUCOXBYRQMAFPQ-AVGNSLFASA-N	311.426	1.910	50	20	DDGD	
CC(C)C(=O)NNC(=O)CSCc1ccc([N+](=O)[O-])cc1	829352602	UWNVTVCRIPKXAT-UHFFFAOYSA-N	311.363	1.631	50	20	DDGD	
C[C@H](CC(=O)O)C(=O)NNC(=O)Cc1cccc2ccccc12	827304212	RDZGOWIQCFIQIJ-LLVKDONJSA-N	314.341	1.641	50	20	DDGD	
CC(C)(C)SCCNC(=O)NNC(=O)CC(F)(F)F	727608414	RNDMQSCTICQCLE-UHFFFAOYSA-N	301.334	1.801	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCCc1nnc2n1CCCC2	490814536	VSUPZAQRTWXIFM-VAWYXSNFSA-N	303.366	1.107	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)c2c(C)noc2C)c1	726446679	CZZQJWMMSBARDT-UHFFFAOYSA-N	314.370	1.904	50	20	DDGD	
O=C(/C=C\c1ccc[nH]1)NNC(=O)COc1ccccc1F	492802852	FLDXXXBSJSSFFN-FPLPWBNLSA-N	303.293	1.393	50	20	DDGD	
Cc1cccc(NC(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1	494742982	UOUPHUFRALJFGF-UHFFFAOYSA-N	322.365	1.672	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2	829227050	DNRKWCMJCYHREV-BNOWGMLFSA-N	323.437	1.117	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N(C)Cc1ccccc1F	827315500	SDWCCHLDAKXCCB-CMPLNLGQSA-N	309.341	1.423	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@H](c1ccccc1)C1CCC1	828286961	KYWXQNFKHCKJOW-MRXNPFEDSA-N	303.406	1.921	50	20	DDGD	
CS(=O)(=O)CCCCNC(=O)/C(C#N)=C/c1ccc(F)cc1	491158144	CUKPXSANTJRDEZ-JLHYYAGUSA-N	324.377	1.674	50	20	DDGD	
Cc1nn(C)c(C)c1CNC(=O)/C(C#N)=C/c1ccc(O)cc1	491104185	MWCAZADLFRHWCA-RIYZIHGNSA-N	310.357	1.966	50	20	DDGD	
N#CSCCCNC(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F	822728452	STMXFIQKTWNCIZ-HTQZYQBOSA-N	309.313	1.022	50	20	DDGD	
COc1cccc([C@H](OC)C(=O)NNc2nc(C)cc(C)n2)c1	820523798	RFVGFWVQYQWVPY-AWEZNQCLSA-N	316.361	1.933	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1sc(N(C)C)nc1Cl	822193585	GMEBTZAVVUBHAU-UHFFFAOYSA-N	319.843	1.157	50	20	DDGD	
CCC(=O)N[C@H](CCSC)C(=O)NNC(=O)OC(C)(C)C	490734770	UPNDLIQDKMVQDS-SECBINFHSA-N	319.427	1.190	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@@H]1CCC[C@@H]1c1ccccc1	584911442	HVPLOFMYSMZXPQ-IAGOWNOFSA-N	309.174	1.889	50	20	DDGD	
COC(=O)NNC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1	490870236	ZYHZJUGNGQIGMJ-LBPRGKRZSA-N	309.322	1.637	50	20	DDGD	
O=C(Cc1cccs1)NNc1ccc(-c2nn[nH]n2)cc1	826424158	YEBXZFLYAXVEKD-UHFFFAOYSA-N	300.347	1.614	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1cccc(-n2cnnc2O)c1C	490977277	SVKOTQPQJYQOTP-FLIBITNWSA-N	313.317	1.664	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)C1CC1)c1ccc(C(F)(F)F)cc1	905747153	KDXJYOHKRWACQL-NSHDSACASA-N	316.279	1.950	50	20	DDGD	
OB(O)c1ccc(CNC[C@H]2CCC[C@H](C(F)(F)F)C2)o1	585026326	LSLAZAHUFBEKCL-UWVGGRQHSA-N	305.105	1.418	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CCCc3sccc32)nc(N)n1	828372424	YBUABZOURSRNNC-SNVBAGLBSA-N	303.391	1.992	50	20	DDGD	
Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CC[C@@H](B(O)O)C2)c1	585070111	WETCTGPBVCFCGX-UONOGXRCSA-N	319.210	1.961	50	20	DDGD	
O=C(Cn1cc(C2CC2)cn1)NNC(=O)c1ccc(Cl)nc1	822411246	LFMAMSKANNSFBO-UHFFFAOYSA-N	319.752	1.270	50	20	DDGD	
COC(=O)NCCNC(=O)NNc1c(F)cccc1Cl	496730840	PBQVOSSLZXOQKG-UHFFFAOYSA-N	304.709	1.461	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccnc(C2CC2)n1	826449483	VIKKAFCDMSPNPZ-UHFFFAOYSA-N	322.332	1.291	50	20	DDGD	
CCCOc1cccc(NCc2ccc(B(O)O)cc2F)c1	585011732	DCJIVBUZRSAXQO-UHFFFAOYSA-N	303.142	1.906	50	20	DDGD	
C[C@@H](CNCc1ccccc1B(O)O)Oc1ccccc1F	585026478	HKHYWBQDGCVSEK-LBPRGKRZSA-N	303.142	1.063	50	20	DDGD	
COC(=O)N(C)NC(=O)c1nn(-c2ccccc2)cc1OC	495825816	SYJJPVQAXKNILJ-UHFFFAOYSA-N	304.306	1.224	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CC[C@@H](c2nc[nH]n2)C1	491174707	IOTHOLWAENTGBJ-GKWYLQRDSA-N	309.329	1.433	50	20	DDGD	
COc1ccc(C2(C(=O)NN(C)[C@@H](C)CO)CCOCC2)cc1	823965661	RHPHMAPLIMJXDZ-ZDUSSCGKSA-N	322.405	1.087	50	20	DDGD	
CC[C@H](C)[C@@H](NNC(=O)c1cccc(N(C)C)c1)C(=O)OC	905746852	FNLREJCFODEWBL-SMDDNHRTSA-N	307.394	1.575	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)ccc1F	909278301	WWSJMIHZYUQELQ-AQUOVQTQSA-N	306.293	1.281	50	20	DDGD	
CNC(=O)/C(C#N)=C/c1cn2ccc(Br)cc2n1	491105343	QBDIGERDZMHSNA-XBXARRHUSA-N	305.135	1.750	50	20	DDGD	
Cc1noc(C[C@@H]2CCCN(S(=O)(=O)CCCCl)C2)n1	907497960	KNSYWSLMIMFDSG-NSHDSACASA-N	321.830	1.591	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H]1CC[C@@H](CO)CC1	588516424	ZLNKMNOWBMKQRB-LUFJPHHUSA-N	300.358	1.966	50	20	DDGD	
CC(CCc1ccc2c(c1)OCO2)=NNC(=O)c1ncon1	901286519	SHDIXWNUMPWBMC-UHFFFAOYSA-N	302.290	1.537	50	20	DDGD	
C[C@H](C(=O)O)n1cccc1C=NNC(=O)NCc1ccco1	833406251	MCGFTQXLUNLCAY-SNVBAGLBSA-N	304.306	1.560	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)[C@H]1CCC[C@@H](C(=O)O)C1	833111120	CYQCMPHFURXNLU-NWDGAFQWSA-N	319.361	1.137	50	20	DDGD	
O=C(Nc1cncc2c1CCCC2)c1ccc(B(O)O)c(F)c1	585007201	DVJRRTOEQCQJOP-UHFFFAOYSA-N	314.125	1.032	50	20	DDGD	
CC(C)n1cc([C@@H](C)NC(=O)NNC(=O)[C@@H]2CCCCO2)cn1	836299277	OMWYLDYYPOBDQC-YPMHNXCESA-N	323.397	1.425	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)c1cccc(B(O)O)c1)C(F)(F)F	584982484	KYFRAKWVCGXURB-KWQFWETISA-N	303.089	1.073	50	20	DDGD	
Cc1nc(CSc2ccccc2C(=O)NCB(O)O)cs1	585060774	YKZAMTSNKCZNDW-UHFFFAOYSA-N	322.220	1.486	50	20	DDGD	
CN(NC(=O)c1cc2n(n1)CCCC2=O)C(=O)OC(C)(C)C	909937145	BXTNTNQRRPMPIA-UHFFFAOYSA-N	308.338	1.371	50	20	DDGD	
CC(C)c1ccc(NNC(=O)C[C@@H]2SC(=N)NC2=O)cc1	837055326	CTLULBVIBVDWAJ-NSHDSACASA-N	306.391	1.810	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)[C@@H]1CCCCO1	833235516	FYXJYJJGYKJQPK-JXIBTRMPSA-N	316.401	1.097	50	20	DDGD	
COCC(COC)NC(=O)NNc1ccccc1C(F)(F)F	838677536	OIXUBTYMURSSAZ-UHFFFAOYSA-N	321.299	1.993	50	20	DDGD	
CN(C)[C@H](CNS(=O)(=O)CCl)c1c(F)cccc1F	830529456	JGUJYNANZLCUSH-SNVBAGLBSA-N	312.769	1.683	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCc2cocn2)cc1C	730910121	GHFAWMVABIUVJG-UHFFFAOYSA-N	318.333	1.201	50	20	DDGD	
C=CCc1cc(C=NNC(=O)c2c[nH]nc2C)cc(OC)c1O	735410804	XWMDUPYHGFNNTP-UHFFFAOYSA-N	314.345	1.925	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1ccc(Cl)cn1	736075845	KBRGWTGZQFNEDE-UHFFFAOYSA-N	316.708	1.937	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2ccc(C)c(C)n2)o1	838750788	GXWVJXCKIFMKRN-UHFFFAOYSA-N	302.334	1.744	50	20	DDGD	
CSc1cc(CNC(=O)NNC(=O)[C@H]2CCCCO2)ccn1	836383915	ICIWMWYHRVDDIG-LLVKDONJSA-N	324.406	1.203	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCc1cc(C)[nH]n1)c1ccccc1	738483729	ZSSHYIYLTMGBJC-CQSZACIVSA-N	315.377	1.742	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)o1)c1ccc(C(F)(F)F)cc1	585014892	HVFPRWPGXCSHCA-VIFPVBQESA-N	313.084	1.829	50	20	DDGD	
O=C(NNc1c(F)cccc1F)NC1CCN(C(=O)O)CC1	738507176	WRAOTIDSHPQNAA-UHFFFAOYSA-N	314.292	1.733	50	20	DDGD	
CC(C)(C)c1ccc([C@@H](O)CNCc2ccc(B(O)O)o2)cc1	585023615	OGOAQPBUCOXIQS-HNNXBMFYSA-N	317.194	1.080	50	20	DDGD	
COc1ccc(C=NNC(=O)Cn2cnc3ccccc32)cc1O	916274666	YBHLUCZUQQQJHB-UHFFFAOYSA-N	324.340	1.901	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](C)c1ccn(C)n1	838774562	VZXKIRHYDYRJTB-NSHDSACASA-N	301.350	1.434	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)CCOc1ccccc1)C(F)F	836262923	KYIUQMWVVWEARZ-LLVKDONJSA-N	315.320	1.830	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)n1	831881899	MJYBKOGJFCRIOY-IJLUTSLNSA-N	318.377	1.228	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)CCCCO1	837311492	ZFGVOUZSMKJSDY-KRWDZBQOSA-N	315.373	1.817	50	20	DDGD	
Cc1cccc(Br)c1C(=O)NN(C)C[C@H](C)O	910147382	LJEBZMXPFKXNDQ-VIFPVBQESA-N	301.184	1.715	50	20	DDGD	
CS[C@@H]1CCCCN([C@H](C)C(=O)NNC(=O)CC(C)C)C1	749466022	PWRLFXVKMVDVGU-CHWSQXEVSA-N	315.483	1.786	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)C1(C(=O)OC(C)(C)C)CCCCC1	910140033	GAILEIZEUHOAPZ-LBPRGKRZSA-N	314.426	1.622	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc(O)n1	843663838	YPQZJXDBCGQKRM-KOLCDFICSA-N	307.350	1.097	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(F)cc1Cl)c1nncn1C	914164509	HQVXUUUZLAROEA-ZETCQYMHSA-N	312.736	1.995	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1cccc(N(C)C)c1)[C@H]1CCOC1	841610164	ZVWQSOHWEWBDAC-ZFWWWQNUSA-N	305.378	1.520	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1cccc(O[C@H]2CC(=O)N2)c1	840730127	PKFNYTJOGAMFPX-CMUBDUJZSA-N	301.302	1.294	50	20	DDGD	
COCCN(C)NC(=O)Cc1ccc2c(c1)OC(F)(F)O2	846121201	ARMCSQJXITXCPU-UHFFFAOYSA-N	302.277	1.160	50	20	DDGD	
C[C@@]1(C(=O)NCCCOc2ncccn2)C[C@@H]1Br	911974946	BORVTVVPPOGPPQ-JOYOIKCWSA-N	314.183	1.535	50	20	DDGD	
CCn1ncc(C(=O)NNC(=S)N[C@@H](C)C2CC2)c1C1CC1	912162367	WIJOYVFQGHOLEF-VIFPVBQESA-N	321.450	1.688	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)[C@@H]1CCc2nnnn2CC1	845856173	WQDXNOOHJNASFH-SNVBAGLBSA-N	304.329	1.216	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2ccc(O)nc2)c1	913455451	QIHONVFNELSGBF-UHFFFAOYSA-N	302.359	1.727	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2cccc(C#N)c2)[C@H](C)[C@@H]1C	841578609	QYYBHABYOLDNJV-IJLUTSLNSA-N	300.362	1.889	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1ccc(OC)c(F)c1	748254191	WOXANOQFIAOYRQ-NSHDSACASA-N	312.341	1.726	50	20	DDGD	
COCCN(C)NC(=O)[C@@](N)(c1cccc(F)c1)C(F)(F)F	848378667	YLYMRHBZWVAMPK-LBPRGKRZSA-N	323.290	1.151	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)COc1ccccc1F	916300635	PTZNSPIEBDSLGB-UHFFFAOYSA-N	304.325	1.705	50	20	DDGD	
O=C(NNc1ccccc1Cl)N[C@@H]1CNCCC1(F)F	842006707	WSLVQZCOIDDKQV-SNVBAGLBSA-N	304.728	1.963	50	20	DDGD	
O=C(NCCOC[C@@H]1CCCO1)NNc1cc(F)ccc1F	918989498	SAJLQXKQAIMVSE-NSHDSACASA-N	315.320	1.787	50	20	DDGD	
CCN1CC[C@H](OC(=O)/C(C#N)=C\c2ccc(OC)cc2)C1=O	849633881	PPXZTLQLCFSIQE-WVUXNXBLSA-N	314.341	1.766	50	20	DDGD	
CC(C)OC(=O)CSCC(=O)NNC(=O)c1cccs1	741475685	BCDSKSSDVHXGSP-UHFFFAOYSA-N	316.404	1.194	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@](C)(O)[C@@H](C)c1ccccc1	840572323	RNTOQIIFCMNECJ-ZBEGNZNMSA-N	316.361	1.483	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)Cn1cc(C2CC2)cn1	847115092	FQCCZUWKFYLRQL-UHFFFAOYSA-N	313.361	1.922	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=C2CCn3cccc32)c1	915051798	SFKLXJVUBPFINI-UHFFFAOYSA-N	317.370	1.429	50	20	DDGD	
CO[C@H](CC(=O)NNc1cc(Cl)nc(N)n1)C(F)(F)F	845934304	OPUKWRVZQLJHMO-SCSAIBSYSA-N	313.667	1.123	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(-c2cccs2)on1	843973107	JLARNMSCQZJHPG-IUCAKERBSA-N	321.358	1.589	50	20	DDGD	
CO[C@](C)(C1CC1)[C@@H](C)NC(=O)NNC(=O)c1ccccc1O	840416895	ODLZYVDUHAIADJ-HWPZZCPQSA-N	321.377	1.540	50	20	DDGD	
COCC(=O)NC1CCN(/C(=C/C#N)c2ccc(F)cc2)CC1	750791143	GFDKJDXVHWQRMM-OMCISZLKSA-N	317.364	1.917	50	20	DDGD	
COc1c(NC(=O)NNC(=O)CC(C)(C)C)cccc1C(N)=O	757995096	QXQFFIBIGOQRHC-UHFFFAOYSA-N	322.365	1.383	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H]1CCOc2ccccc21)C1CC1	855101090	PAIWFGICMLFKAM-GXFFZTMASA-N	319.430	1.847	50	20	DDGD	
C[C@H]1Cc2ccccc2C1=NNC(=O)N[C@H]1CCS(=O)(=O)C1	751130735	MNTCEIVZUHJZJY-JQWIXIFHSA-N	321.402	1.069	50	20	DDGD	
CCOCCn1cc(C(=O)NNc2cccnc2Cl)cn1	857148475	DUSIRJWHPHBWLU-UHFFFAOYSA-N	309.757	1.725	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)OCC(F)(F)F)cc(O)n1	856022497	DRMXQWVSZXKWRZ-UHFFFAOYSA-N	321.255	1.844	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cc2cc(C)on2)c1C	855627053	GCDHTZDQAZJYPV-UHFFFAOYSA-N	303.318	1.764	50	20	DDGD	
C[C@]1(CCC(=O)NNc2cc(F)c(F)c(F)c2)CCC(=O)N1	753417413	CIGVBPIOPUKIKI-CQSZACIVSA-N	315.295	1.996	50	20	DDGD	
COCC[C@@H](Cc1ccco1)NC(=O)NNc1ncccn1	753277595	DBHRJXDOIFCHIV-NSHDSACASA-N	305.338	1.344	50	20	DDGD	
COCCCN(CCO)C(=O)NC[C@@]1(C)C[C@H]1Br	856955766	RAYCDDAEGXTBFC-ZYHUDNBSSA-N	323.231	1.200	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2	754863207	QUQBDLASTSOWRN-UPJWGTAASA-N	307.394	1.465	50	20	DDGD	
CCCCOCC(=O)NNC(=S)NCCc1cccs1	753015586	OEACBLXWRPJDBI-UHFFFAOYSA-N	315.464	1.603	50	20	DDGD	
CCCn1nc(C)c(C(=O)NNC(=O)c2ccccn2)c1C	759677114	CYOUTIOIBGDFJC-UHFFFAOYSA-N	301.350	1.380	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@](C)(O)Cc1ccccc1)C1CC1	855100768	IQYWDLBUCCNJLE-ZBEGNZNMSA-N	321.446	1.274	50	20	DDGD	
CCn1nccc1C=NNC(=O)[C@H](C)Oc1ccc(F)cc1	753690538	MKHDRMZTBBESDA-NSHDSACASA-N	304.325	1.960	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC12CCSCC2)c1cccc(F)n1	856428263	RYUKXEWWAZFJRM-SECBINFHSA-N	309.366	1.515	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)CC(C)(F)F)c1	758731530	SRZHOWGAKSENOR-UHFFFAOYSA-N	314.288	1.345	50	20	DDGD	
O=C(CCCF)NNC(=O)c1cc(Br)ccc1O	857138019	LYWDXACXZCTLHX-UHFFFAOYSA-N	319.130	1.665	50	20	DDGD	
CCN1C[C@H](CNC(=O)NNc2ccc(C)c(F)c2)CC1=O	854214575	MQNPAHHLSKSTQQ-NSHDSACASA-N	308.357	1.629	50	20	DDGD	
COC(=O)c1cc(C(=O)NC[C@@]2(C)C[C@@H]2Br)c[nH]1	857389150	YVYRGUJWXOBNNB-JOYOIKCWSA-N	315.167	1.705	50	20	DDGD	
COc1cccc(OC)c1CNC(=O)NNC(=O)CC(C)(C)C	852489637	JQCAXJBJJWMPMM-UHFFFAOYSA-N	323.393	1.970	50	20	DDGD	
C[C@H](NC(=O)NNc1cc(F)ccc1F)c1nnnn1C1CC1	922178353	PTRUDURNEPUGGQ-ZETCQYMHSA-N	323.307	1.674	50	20	DDGD	
CCC[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)c1ccccn1	858191494	UVUYGQCUULTEMG-GFCCVEGCSA-N	302.338	1.290	50	20	DDGD	
CC(CN1C(=O)CCC1=O)=NNC(=O)CCc1ccccc1	754945542	YIQSNFCYDLUVKN-UHFFFAOYSA-N	301.346	1.260	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NC[C@]2(C)C[C@@H]2Br)C1	857404761	VIZIYIWXCGQTKL-GVXVVHGQSA-N	317.227	1.535	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)NC[C@@]1(O)CCOC1	755220526	FKESGCNHCHJPPJ-YPMHNXCESA-N	305.465	1.968	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)Cc2ccc(O)c(F)c2)n1	857486056	FJQDXAMQAPSPKD-UHFFFAOYSA-N	311.704	1.243	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2c(C3CC3)cnn2C)n1	852578051	PTVBHXSZKJVYAC-UHFFFAOYSA-N	315.381	1.531	50	20	DDGD	
OC[C@H](NC[C@@H](CBr)C1CC1)[C@@H]1CCCOC1	859328921	WEXBPIMPWOQPGE-UPJWGTAASA-N	306.244	1.785	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H]2CCC[C@@H](N(C)C)C2)c1	858310874	AEDULJICCPULSL-NWDGAFQWSA-N	324.450	1.873	50	20	DDGD	
O=C(NNc1ccncn1)c1ccc(N2CCC(O)CC2)cc1	857520809	OSCDIWMOBAICNC-UHFFFAOYSA-N	313.361	1.195	50	20	DDGD	
C[C@@H](CBr)CN1CCCC[C@@H]1CS(N)(=O)=O	931229988	GZKPGWPRFLGROO-VHSXEESVSA-N	313.261	1.160	50	20	DDGD	
CCCCCCN(C)CC(=O)NNC(=O)c1cccc(F)n1	856424025	GUHJPKVGPNWMCR-UHFFFAOYSA-N	310.373	1.494	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@H](C)CN1CCCC1=O	853460120	FVYVRSMOKHDOSX-LLVKDONJSA-N	308.357	1.771	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)c1cccn2c(O)nnc12	758299543	LCYDUFFTYJGHEC-UHFFFAOYSA-N	304.697	1.240	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C(C)(C)C)n1ccc(C(F)(F)F)n1	864889215	PXUFOENFMUOLKM-ZETCQYMHSA-N	306.288	1.656	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(C(=O)NC)cc1OC	861338255	LUPZJPXMSRTXOG-SECBINFHSA-N	322.365	1.254	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNC(=O)Nc2ccccc2C)n1	868026106	GBQOHCMWVPMPIL-LBPRGKRZSA-N	315.377	1.989	50	20	DDGD	
Cc1cc(=NNC(=O)c2ccc(N3CCOCC3)cc2)cc[nH]1	862510349	DGVDITNXUVQRDA-UHFFFAOYSA-N	312.373	1.405	50	20	DDGD	
C[C@H](NNC(=O)C[C@@H]1Oc2ccccc2NC1=O)C(F)(F)F	862304848	GBBNLUHSCJQOAU-XVKPBYJWSA-N	317.267	1.348	50	20	DDGD	
Cc1cccn2cc(CC(=O)NNc3ncc(F)cn3)nc12	760914387	BBTJFOUCRNTOBP-UHFFFAOYSA-N	300.297	1.258	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=C2CCCC[C@@H]2N2CCCCC2)N1	863149430	ZQPRHJCFRGRGPE-KBPBESRZSA-N	306.410	1.166	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccccn2)c(C)c1	763464281	QUZMQNCZOCBKDN-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
C[C@H]1CC(C)(C)CC1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	766015116	YUZSZMLKJIJXFV-VHSXEESVSA-N	301.412	1.285	50	20	DDGD	
CCNC(=S)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	764500836	SFHLUYCUHUFTAJ-UHFFFAOYSA-N	307.354	1.345	50	20	DDGD	
CSSCCNC(=O)c1ncc(Br)cn1	935872710	LYAPHTFRIZUDJM-UHFFFAOYSA-N	308.226	1.980	50	20	DDGD	
CNc1c(C(=O)NN[C@H](C)C(F)(F)F)cccc1[N+](=O)[O-]	862316870	BLQYEFPOWVTGIT-ZCFIWIBFSA-N	306.244	1.822	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1cncc(Br)c1	767380190	QAKAUBKRQLQWPB-UHFFFAOYSA-N	308.139	1.640	50	20	DDGD	
COC(=O)NNC(=O)Nc1nnc(/C=C\c2ccco2)s1	764002389	UWVXXEGGCMKKRY-PLNGDYQASA-N	309.307	1.694	50	20	DDGD	
CCCc1cnc(NC(=O)C(=O)NN=c2cc[nH]c(C)c2)s1	861959246	ABPHSLVDNLXXLE-UHFFFAOYSA-N	319.390	1.303	50	20	DDGD	
C[C@@]1(CCNCc2ccccc2B(O)O)CC1(Cl)Cl	863889558	DHUXXYNXGIQVSL-GFCCVEGCSA-N	302.010	1.430	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ncsc1Nc1cccnc1	861842212	DDPLIWLBGWQPMG-UHFFFAOYSA-N	317.374	1.843	50	20	DDGD	
COc1cc(COc2ccc(B(O)O)cc2)ccc1OC(F)F	864048277	MQRZGWHEBXTDQK-UHFFFAOYSA-N	324.088	1.555	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H](CC)Cc1ccc([N+](=O)[O-])cc1	765413141	COGJUPZSTIMULZ-LLVKDONJSA-N	308.338	1.514	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ncc2ccccn12)C1CC1	869219322	UMLKQJXIBRNPMJ-SECBINFHSA-N	303.391	1.242	50	20	DDGD	
Cc1nc(CC(=O)NNc2ccnc(N(C)C)n2)c(C)s1	768144217	DEFKOHSTBBTBJV-UHFFFAOYSA-N	306.395	1.302	50	20	DDGD	
Cc1coc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)c1C	1117333085	VJRVYFXJKSLYPQ-RYUDHWBXSA-N	323.393	1.157	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@H](C)C(=O)N2CCCC[C@H]2C)n1	875305316	PDXIHRGVBORZSS-CHWSQXEVSA-N	319.409	1.806	50	20	DDGD	
Cc1ncc(CCNC(=O)NNC(=O)c2ccccc2O)s1	772625775	VZXXOGUDZXWRPA-UHFFFAOYSA-N	320.374	1.344	50	20	DDGD	
CC(C)(C)[C@@H]1CC(=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)CCO1	872388207	DLJPZANGWXDCNB-ILXRZTDVSA-N	323.437	1.547	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)c1nc2ccccc2s1	874913594	FTUUDTPICSKKKV-NXEZZACHSA-N	321.402	1.976	50	20	DDGD	
CO[C@H]1CCC[C@H]1CNC(=O)NNC(=O)Cc1ccc(F)cc1	774790623	VVHGQIWYRZOPGM-JSGCOSHPSA-N	323.368	1.514	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](CC)Cc1ccccc1	772116117	RIKYXMCPLLTZKL-JSGCOSHPSA-N	320.389	1.744	50	20	DDGD	
Nc1cnnc(NNC(=O)NCC2CCSCC2)c1Cl	1116300105	IIJPEGLBBSCNTL-UHFFFAOYSA-N	316.818	1.482	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)COc1ccc(C)c(C)c1)C(C)C	770211670	HMOXFVCZWJWCSV-HNNXBMFYSA-N	308.378	1.501	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1cccs1	771879789	AFIZDDGQADOWIH-SNVBAGLBSA-N	312.391	1.416	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1	878308268	YRMNPGGRSBGQLY-OAHLLOKOSA-N	323.393	1.859	50	20	DDGD	
CCO[C@H](CC)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874951961	VDWMPKHDCIUGIG-CYBMUJFWSA-N	324.450	1.885	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cc(C(=O)OC)cs1	872335524	BFJWQUSPCDSXQY-UHFFFAOYSA-N	311.407	1.717	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1O	779509122	KLHHZMCZFZKFPG-HNNXBMFYSA-N	312.325	1.465	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@H]2CCCc3c2cnn3C)cc[nH]1	875101262	KUBKODFSNAJNSH-ZDUSSCGKSA-N	300.366	1.249	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1ccccc1SC	772236571	NRMRHMRWOJZEML-SNVBAGLBSA-N	324.402	1.440	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1	875501296	YOPHCNMFDHXLMJ-QWHCGFSZSA-N	307.350	1.819	50	20	DDGD	
CCc1cccnc1C(C)=NNC(=O)CNC(=O)c1ccco1	779771517	MDKALWNDKRKCNF-UHFFFAOYSA-N	314.345	1.507	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)COC1(C)CCC1	772212166	COZGEKSHCQNSDU-LLVKDONJSA-N	314.382	1.071	50	20	DDGD	
COc1cccc([C@@H](O)CNS(=O)(=O)CCCCl)c1	881916294	KLCWLSVHPMFCPC-LBPRGKRZSA-N	307.799	1.277	50	20	DDGD	
C[C@H]1C(=O)Nc2cc(C(=O)NNc3ccccn3)ccc2N1C	777470464	UORDGZJZJGOXHG-JTQLQIEISA-N	311.345	1.615	50	20	DDGD	
COCc1nc(C(=O)NNc2nc(-c3ccccc3)no2)no1	775390720	SVEKUVVIMGEQNY-UHFFFAOYSA-N	316.277	1.023	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C2(F)CCCC2)cn1	773822403	KOSXIQCVGYCCCZ-UHFFFAOYSA-N	312.370	1.690	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)C1CCOCC1)c1ccc(F)cc1	883061623	ARIYYGYBVVQZKK-LLVKDONJSA-N	308.353	1.893	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccc(OC)cc2O)c1	780802187	QEMJSEBVHRUTGV-UHFFFAOYSA-N	316.313	1.944	50	20	DDGD	
C[C@H]1CC(C)(C)CC[C@H]1NC(=O)NNC(=O)c1cccnn1	883493510	MTDLMNFAJUAAKC-WDEREUQCSA-N	305.382	1.635	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NNc1ncncc1Cl	781820184	NPHKTZJBQKPYBL-QPUJVOFHSA-N	320.736	1.802	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC(C)(C)C#N)cc1OC	781955387	NSDYQTHBWZEKQW-UHFFFAOYSA-N	320.349	1.198	50	20	DDGD	
CC(C)CN1CCC[C@H]1C(=O)NNCC(F)(F)C(F)(F)F	1120679030	KJELCPGNVIZDLN-VIFPVBQESA-N	317.302	1.925	50	20	DDGD	
CCc1ccccc1OCC(=O)NNS(=O)(=O)c1ccco1	783525889	BQBSARAHHKDENI-UHFFFAOYSA-N	324.358	1.231	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C(=O)Nc1cccc(F)c1F	784846939	KLVNVJBFPMPOHN-UHFFFAOYSA-N	310.235	1.581	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)n1	786427814	UUYUQNVNBNVGOE-UHFFFAOYSA-N	315.255	1.513	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccn(-c2ncccc2F)n1	782593747	VQOJKABGUHZAMQ-UHFFFAOYSA-N	306.301	1.215	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CCOc2ccc(Cl)cc21	783815568	FQKUVUIDIYCBQX-UHFFFAOYSA-N	309.753	1.467	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cnn(-c2cccnc2)c1	781834354	WRVJXNAEBMMNPO-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
Cc1ccc(C)c(C2=NO[C@@H](C(=O)NNC(=O)C(C)C)C2)c1	899947028	NGJVVCWIJYFPIT-CQSZACIVSA-N	303.362	1.600	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)NCC(C)(C)C#N	781953056	AALJWZOXCXOLOC-UHFFFAOYSA-N	324.768	1.842	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NNc2ncncc2Cl)cc1	782011168	KRPKBNDRUIYKCA-UHFFFAOYSA-N	320.740	1.638	50	20	DDGD	
C=C(CBr)CN1CCC(S(=O)(=O)CC)CC1	791540936	OWJJBKAJZBTFRC-UHFFFAOYSA-N	310.257	1.837	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)c1occ2c1CCC2	794825755	YGFUDXBXGXLIGB-UHFFFAOYSA-N	324.340	1.799	50	20	DDGD	
C[C@@H](CBr)COC(=O)CCC(=O)c1cnn(C)c1	796147042	KGXTWNKMPOTSKC-VIFPVBQESA-N	317.183	1.957	50	20	DDGD	
C[C@H]1COCCC1=NNC(=O)c1nn(-c2ccccc2)cc1O	794483501	AHJIOWFKYSDUIS-NSHDSACASA-N	314.345	1.720	50	20	DDGD	
C[C@H]1COCCC1=NNC(=O)C(=O)NCc1ccc(Cl)cc1	794525765	GLSFTSDZKSHVKO-JTQLQIEISA-N	323.780	1.485	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cccc3c2ccn3C)n1	794089318	DLRBEFDSPACPHX-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
O=C(NNC(=O)c1ccc(Oc2ccccc2)cn1)NC1CC1	799411047	HNIWURNMLHHLDY-UHFFFAOYSA-N	312.329	1.980	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1ccc(C(F)(F)F)cc1	790584468	VOINEVJFPLCVJS-UHFFFAOYSA-N	324.262	1.989	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)[C@H]1CCC(F)(F)C1	795124973	NTZRCFZISHCUPW-LBPRGKRZSA-N	312.316	1.786	50	20	DDGD	
Cc1cnn(C)c1C=NNC(=O)c1cc(Br)c[nH]1	794888684	MBHWALLNOGIYHL-UHFFFAOYSA-N	310.155	1.583	50	20	DDGD	
N#C/C(=C\c1cc(Br)ccc1F)S(N)(=O)=O	798230371	QHKVAJYEWVHWNP-XBXARRHUSA-N	305.128	1.741	50	20	DDGD	
O=C(NNC(=S)Nc1cccc(F)c1F)c1cccnc1	1319543654	SBFRERLDJJAYPI-UHFFFAOYSA-N	308.313	1.991	50	20	DDGD	
CNc1ccc([N+](=O)[O-])cc1C(=O)NN=c1cc[nH]cc1Cl	1319142754	OTXLPLJVMVBSHK-UHFFFAOYSA-N	321.724	1.864	50	20	DDGD	
Cc1cc(F)cc(C(=O)NNC(=S)NC(C)C)c1[N+](=O)[O-]	1322511341	ZBXACFZMKHKBDB-UHFFFAOYSA-N	314.342	1.560	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cncn2-c2ccccc2)no1	1321490841	CCPKMLPOAGYPJZ-UHFFFAOYSA-N	311.301	1.244	50	20	DDGD	
Cc1cnc(Cl)c(NC(=O)C(=O)NNc2ncc(F)cn2)c1	1326167089	PBLVTKVMSGIFTQ-UHFFFAOYSA-N	324.703	1.054	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1cc(OCC(F)F)ccn1	1324989106	QBLWADUCOVAVIZ-YFHOEESVSA-N	311.288	1.786	50	20	DDGD	
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NNC(=O)NCC(F)(F)F	1321136164	KUMSDYUYBXEICG-ZCFIWIBFSA-N	321.303	1.098	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2n[nH]c3c2CCCC3)CC[C@@H]1C(=O)O	1324253916	NOIQNMYDKPHUNX-ONGXEEELSA-N	318.377	1.895	50	20	DDGD	
O=C(CCSc1ccccc1)NNC(=O)[C@H]1CCCCO1	1328066988	XRAXRQHFOQERPR-CYBMUJFWSA-N	308.403	1.885	50	20	DDGD	
CNC(=S)N(C)NC(=O)C1(c2ccccc2OC)CCC1	1328340686	SKQHWSMFYJOMFG-UHFFFAOYSA-N	307.419	1.584	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cc(=O)n(C)c2ccccc12	1326267062	FAXVABALJXFHQJ-UHFFFAOYSA-N	308.341	1.999	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)Nc2ccccc2C)nn1C	1321626460	ZEKANBXLRWFVRH-UHFFFAOYSA-N	301.350	1.757	50	20	DDGD	
CCOc1cc(C(=O)NNC(=O)CCCc2ccccc2)[nH]n1	1329258790	VRXSZPQKRUPBLL-UHFFFAOYSA-N	316.361	1.592	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@@H]1CCc2ccccc21	1328132736	XBXPKNGLIFXQQI-UBHSHLNASA-N	317.389	1.472	50	20	DDGD	
CC(C)c1ccc(CNC(=O)NNC(=O)c2cn[nH]c2)cc1	1331277023	FKRXKQBNEIOZNC-UHFFFAOYSA-N	301.350	1.677	50	20	DDGD	
C[C@]1(C(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)C[C@@H]1Br	1332664837	GNUKBIKVNRJPKK-ARHDFHRDSA-N	317.183	1.117	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccccc2F)ccc2cncn12	1342192046	FSRUVBOQJNKGHR-UHFFFAOYSA-N	312.304	1.857	50	20	DDGD	
O=C(CCc1cccc(O)c1)NNC(=O)OCC(F)(F)F	1347120107	JXMMSGOHHLEQNI-UHFFFAOYSA-N	306.240	1.645	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2CS[C@@H](C)C2)cc1	1261365381	NOHOAZALVSUAKD-GXSJLCMTSA-N	309.391	1.533	50	20	DDGD	
O=C(NC1CC1)c1cc(F)c(NNC(=O)[C@H]2C[C@@H]2F)c(F)c1	1521273219	ZJFDRKDLIFCZMX-IUCAKERBSA-N	313.279	1.658	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)NC[C@H](C)C(=O)O	1603184119	WACIRKZXMQTJSE-ZETCQYMHSA-N	315.761	1.600	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)/C=C\c2cncc(O)c2)cc1	1602127217	JYSOSSUZCKRUIP-UTCJRWHESA-N	313.313	1.571	50	20	DDGD	
C=CCOC[C@@H](NC(=O)/C(C#N)=C/c1ccc(F)cc1)C(=O)O	1609432268	LGVJPLUNVZSSPZ-CEFACKQISA-N	318.304	1.505	50	20	DDGD	
CCOCc1nc(C)cc(NNC(=O)c2ccc(C(=O)O)o2)n1	1605645592	JAPNOHIWGKUVDU-UHFFFAOYSA-N	320.305	1.370	50	20	DDGD	
COc1cc(NNC(=O)[C@](C)(OC)C(=O)O)ccc1Cl	1604731588	ISPTZADLHICBOF-LBPRGKRZSA-N	302.714	1.281	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNc1cccc(C(=O)O)c1	1601126211	YIJJXRRWGILBEP-UHFFFAOYSA-N	311.297	1.779	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)[C@@]1(C(=O)O)C[C@H]2CC[C@H]1C2	1605670854	XOIGRELQCTXBRH-MQIPJXDCSA-N	308.378	1.605	50	20	DDGD	
Cc1ccccc1NNC(=O)c1ccc(-c2nn[nH]n2)c(O)c1	1609437309	XYBJXXIGYSGIKX-UHFFFAOYSA-N	310.317	1.638	50	20	DDGD	
O=C(NN=C1CCCC12CCOCC2)[C@@H]1CN2CCC[C@H]2CO1	1549320098	KNASPCPHZFKXJW-KBPBESRZSA-N	321.421	1.303	50	20	DDGD	
C[C@@H]1C(=NNC(=O)[C@H]2CCCO[C@@H]2c2nccn2C)CCN1C	1549906195	ZLKVGMYQKHUQBW-DYEKYZERSA-N	319.409	1.084	50	20	DDGD	
CCn1cc([C@H]2OCC[C@H]2C=NNC(=O)N2CCOCC2)cn1	1552447751	WVCPDNZJSRHGAW-JSGCOSHPSA-N	321.381	1.008	50	20	DDGD	
CC(C)[C@@H](N)C(C)(C)C(=O)NNc1ccc(-n2ccnc2)nn1	1575448093	WWCCCQYMMILBIY-CYBMUJFWSA-N	317.397	1.115	50	20	DDGD	
Cc1ccc(NNC(=O)C2=NO[C@@]3(CCNC3)C2)c(Cl)c1	1579724374	WSVJLFHKQXMXBK-AWEZNQCLSA-N	308.769	1.600	50	20	DDGD	
C=CCCC[C@@H](N)C(=O)NNC(=O)Cc1ccccc1OC	1574908895	ZVTCTSHAQROQMX-CYBMUJFWSA-N	305.378	1.069	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@H](c2ccccc2)c2cnn[nH]2)n1	1577430627	CTCGEXMUGUCYBC-OAHLLOKOSA-N	323.360	1.924	50	20	DDGD	
CC(=NNC(=O)C(=O)O)c1ccc(F)c(Br)c1	1589011211	UBRRRZZTBLWFNB-UHFFFAOYSA-N	303.087	1.513	50	20	DDGD	
C[C@@H](C(=O)NNc1ncccc1C(=O)O)N1[C@H](C)CC[C@H]1C	1589323540	LPYZKDUVLBMWLY-MXWKQRLJSA-N	306.366	1.484	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C1(C(=O)O)C(C)(C)C1(C)C	1588927924	LPUGKVHSDKUANA-UHFFFAOYSA-N	301.412	1.027	50	20	DDGD	
CN(NC(=O)C(=O)Nc1cccc(C(=O)O)c1)c1ccccc1	1598541903	SQHQRHUKADVZCR-UHFFFAOYSA-N	313.313	1.491	50	20	DDGD	
COc1ccc(NNC(=O)Nc2cc(C)c(C(=O)O)cn2)nc1	1599597567	ZOVFOFHUIUDHTE-UHFFFAOYSA-N	317.305	1.640	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)c(C)o1	13230985	MBIQLMCYTNVBSO-UHFFFAOYSA-N	302.334	1.573	50	20	DDGD	
O=C(NNC(=O)c1noc2c1CCCCC2)c1ccccc1O	161096460	SWNKELAUDZNAQA-UHFFFAOYSA-N	315.329	1.724	50	20	DDGD	
CCN(CC(=O)NNC(=O)COc1ccc(C)c(C)c1)C1CC1	151202648	KFWFJHZCPNCFEA-UHFFFAOYSA-N	319.405	1.314	50	20	DDGD	
CS(=O)(=O)c1ccc(C(=O)NNc2ccccc2F)cc1	153308257	WIQWXNXBPLZBCO-UHFFFAOYSA-N	308.334	1.986	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cn2nc(C)cc2C)c(F)c1	7285691	JASOXISTOIZHDH-UHFFFAOYSA-N	320.324	1.109	50	20	DDGD	
Cc1noc(Cl)c1CC(=O)NNc1ccc(Cl)nn1	118498957	IEHIFYQRLAKPJB-UHFFFAOYSA-N	302.121	1.766	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1c[nH]c2cc(C)ccc12	101860171	MOSCTFCBRMPOQI-UHFFFAOYSA-N	318.377	1.386	50	20	DDGD	
CCc1nn(C)c(CC)c1CNC(=O)NNC(=O)C(C)(C)C	119379623	LDVGIKUVTYXXEW-UHFFFAOYSA-N	309.414	1.421	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CSC[C@H]1CCCCO1	171354360	ZRAVXXBRECKYQG-LLVKDONJSA-N	311.407	1.088	50	20	DDGD	
CC[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccncc1	177453588	SIAUIDZHKQASBJ-CYBMUJFWSA-N	317.320	1.839	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)Cc1cccnc1)c1ccccc1	171510244	FKZHESCJZLVEIJ-INIZCTEOSA-N	313.357	1.549	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2cc(C#N)c[nH]2)c1	177462848	VMZDTUQLRWBGHW-UHFFFAOYSA-N	312.329	1.343	50	20	DDGD	
Cc1cc(O[C@H](C)C(=O)NNC(=O)CN(C)C)ccc1Cl	113424839	BBKBPWSEMPSBSU-SNVBAGLBSA-N	313.785	1.125	50	20	DDGD	
O=C(Cc1cc(Cl)c2c(c1)OCCO2)NNc1cccnn1	172370414	MPIZWUKFEPDCLV-UHFFFAOYSA-N	320.736	1.587	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1cnn(C)c1)c1cccc(F)c1	117682228	PGHBFQWNXMAKLF-JTQLQIEISA-N	304.325	1.514	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)CN1CCCCC1=O	170808000	LNOLNWHTBWBCDB-UHFFFAOYSA-N	317.389	1.169	50	20	DDGD	
C[C@H]1CC[C@H](C)N1[C@@H](C)C(=O)NNc1ncnc2nc[nH]c12	173949849	VYGQHEDFGMJCPS-GUBZILKMSA-N	303.370	1.057	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)CO[C@@H]2CCCC[C@H]2C)n1	112853059	PNRVHOQUPHCOHZ-BXUZGUMPSA-N	322.409	1.243	50	20	DDGD	
CCC1(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)CCCC1	119923425	RDLUFQXSTKFOMJ-CYBMUJFWSA-N	317.455	1.338	50	20	DDGD	
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NNc2ccccn2)C1	176590151	MQOYGJZCNHEAQL-OABGYEMISA-N	310.423	1.788	50	20	DDGD	
CCOc1cc(C(=O)NNC(=O)c2ccc[nH]2)cc(Cl)c1O	171100849	SJOGKMWXPWXUOZ-UHFFFAOYSA-N	323.736	1.847	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)c2cccnc2)cccc1[N+](=O)[O-]	182843851	PSOLCLGZWIALQD-UHFFFAOYSA-N	315.289	1.765	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Nc1ccnn1C	124621448	UIJKKSGGPOMSJT-SECBINFHSA-N	321.312	1.179	50	20	DDGD	
CN1CCC2(CCN(S(=O)(=O)CCCCCl)CC2)C1=O	365642376	WRKRVGDAEZGDFT-UHFFFAOYSA-N	322.858	1.280	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@@H]1CCCO1	32258301	CCDXSRNNHXUZFG-SKDRFNHKSA-N	312.753	1.434	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCc2cnn(C)c2C)cc1	122756299	WAILVJHDWJQOFT-UHFFFAOYSA-N	314.389	1.685	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)c2ccncc2)cccc1[N+](=O)[O-]	182842821	IRDAYOBFQNIFTE-UHFFFAOYSA-N	315.289	1.765	50	20	DDGD	
COc1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)ccc1F	123121008	XMWTUDLRKPEPRC-UHFFFAOYSA-N	320.295	1.977	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)/C=C/c2nnc(C(C)C)o2)c(C)o1	182327880	YIANHFBASRKAMO-AATRIKPKSA-N	318.333	1.877	50	20	DDGD	
CN(NC(=O)c1cncc(-c2ccc(N(C)C)cc2)c1)C(N)=O	182665374	ZYMBWPHKQJVTAI-UHFFFAOYSA-N	313.361	1.470	50	20	DDGD	
CCC[C@@H](C)N1C[C@H](C(=O)NNc2ncc(F)cn2)CC1=O	122606954	WZZFVAMSQQWBCI-NXEZZACHSA-N	309.345	1.096	50	20	DDGD	
CCCc1csc(NC(=O)NNC(=O)Cc2cccnc2)n1	184025128	ZKNBFWZOVLXEOY-UHFFFAOYSA-N	319.390	1.886	50	20	DDGD	
O=C(NNc1ccccn1)[C@H]1CC(=O)N(Cc2ccco2)C1	181172990	CWPXFVFKXYVYRV-NSHDSACASA-N	300.318	1.166	50	20	DDGD	
COCCOCC(=O)NNc1ccc(Br)c(F)c1	184288471	YVQMXWAISBLCQN-UHFFFAOYSA-N	321.146	1.694	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNC(=O)c2c[nH]nc2C)cc1	131631103	KLFWGMLUWPOMPD-SNVBAGLBSA-N	316.361	1.367	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccccc1CN1CCSCC1	139880127	VRLAPIFZJLKMPP-UHFFFAOYSA-N	324.406	1.628	50	20	DDGD	
CCCOC(=O)CCNC(=O)c1c(C)nn(CCCl)c1C	81358830	JSJQQKCNFRKOLI-UHFFFAOYSA-N	315.801	1.812	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc(F)c(F)c(O)c2F)n1	193921329	KIUGDUASOQSWIW-UHFFFAOYSA-N	312.251	1.973	50	20	DDGD	
COc1nccnc1NNC(=O)COc1cc(C)ccc1C	132064657	IRGFBQAFIGHYRY-UHFFFAOYSA-N	302.334	1.624	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(N)c([N+](=O)[O-])c2)c(C)o1	45631121	IPYXVHKXGGPVAK-UHFFFAOYSA-N	318.289	1.462	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)Nc2ccc(Cl)cn2)cc1	193883030	BEPDJPJOVIJWEU-UHFFFAOYSA-N	315.720	1.688	50	20	DDGD	
Cc1noc(CCCC(=O)NNC(=O)Cc2ccc(F)cc2)n1	41619673	MFZPOYUYHDDYCK-UHFFFAOYSA-N	320.324	1.230	50	20	DDGD	
O=C(NNc1c(F)cccc1F)c1cnc(O)c([N+](=O)[O-])c1	193598267	WZJFJILVQGDETJ-UHFFFAOYSA-N	310.216	1.731	50	20	DDGD	
O=C(NN=c1c(=O)c2cccc3cccc1c32)c1cccnc1	254513064	XLVPHWOHCYCZEX-UHFFFAOYSA-N	301.305	1.870	50	20	DDGD	
CCn1cc(C=NNC(=O)c2ccc3c(c2)OCO3)c(C)n1	252620002	LVVGLUPSWGBGED-UHFFFAOYSA-N	300.318	1.704	50	20	DDGD	
CCC(CC)n1ccc(C(=O)NNC(=O)c2cccnc2)n1	269330503	XQFXJGDMFNPBRI-UHFFFAOYSA-N	301.350	1.714	50	20	DDGD	
Cc1ccc(NNC(=O)NC2CCC3(CC2)OCCO3)nn1	264398734	OLLLJOSTZGRAJP-UHFFFAOYSA-N	307.354	1.097	50	20	DDGD	
COc1ccc(NNC(=O)CS(=O)(=O)CC(C)C)cc1	266998885	JUQXGVYQVGLNQA-UHFFFAOYSA-N	300.380	1.209	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(CNC(C)=O)cc1	273466148	DUJUCWYIDPEABT-JTQLQIEISA-N	306.366	1.522	50	20	DDGD	
COC[C@H](CNC(=O)NNc1ccc(Cl)c(F)c1)OC	272968007	OCWRMCPBJNRFGJ-VIFPVBQESA-N	305.737	1.767	50	20	DDGD	
COc1cccc(OC)c1CC(=O)NNc1nccnc1OC	274056906	HVZFTYHPBDCPNA-UHFFFAOYSA-N	318.333	1.188	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H]2CC(C)(C)OC2(C)C)n1	272324378	MINIHVQRXQJEQU-JTQLQIEISA-N	323.397	1.766	50	20	DDGD	
Cc1cccnc1NNC(=O)NC[C@@H](C(C)C)N1CCOCC1	276715867	RDXHBNSBKKFBHQ-AWEZNQCLSA-N	321.425	1.373	50	20	DDGD	
CC1(C)C[C@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)C(=O)O1	273233617	PMVLMTKIRKBIHK-YLBKJLTLSA-N	302.305	1.943	50	20	DDGD	
Cc1ccc(-c2nnco2)cc1NC(=O)NNC(=O)C1CC1	274084035	HOKLJKQRTSHEAD-UHFFFAOYSA-N	301.306	1.608	50	20	DDGD	
NC(=O)c1csc(C(=O)NNc2nnc(C3CC3)s2)c1	273568551	HTWOVUJMAXDHJK-UHFFFAOYSA-N	309.376	1.333	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)CC)c(C)c1	274033971	DJFZALDATYZSIT-SNVBAGLBSA-N	321.377	1.526	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H]1C[C@]12CCOC2)c1ccccc1	376924581	IBYQWFQGVNEROZ-VBQJREDUSA-N	302.374	1.754	50	20	DDGD	
COCC1(CNC(=O)NNC(=O)c2ccccc2C)CCC1	282680731	WHOKMLRSHRKSOI-UHFFFAOYSA-N	305.378	1.756	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)CC(C)C)ccc1C(=O)O	285265169	XWZYNEKFKAMNSL-UHFFFAOYSA-N	314.363	1.049	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)/C=C/c2ccc[nH]2)n1	288600600	ZPHMYQSETOFLHD-BQYQJAHWSA-N	300.366	1.807	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2occ3c2CCOC3)n1	376131993	XIQBPSVBDMIXPW-UHFFFAOYSA-N	301.302	1.131	50	20	DDGD	
C=CC[C@@H](CC)NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	281534556	YSOVQKYNMVMSRH-LLVKDONJSA-N	306.322	1.894	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)cc1	286987705	DRBQNIJUSZVENP-ZDUSSCGKSA-N	308.403	1.653	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NNc1cccc(NC(C)=O)c1	294006048	ULRSFFUOHQNVJY-ZDUSSCGKSA-N	321.381	1.315	50	20	DDGD	
Cc1[nH]c2ccccc2c1C(=O)NNC(=O)N1CCN(C)CC1	807383334	VGQRPFHZKMQZRX-UHFFFAOYSA-N	315.377	1.078	50	20	DDGD	
CCc1nnsc1C(=O)NNc1ccc2c(=O)[nH]ccc2c1	803435409	YCURTRJVQYUNTK-UHFFFAOYSA-N	315.358	1.699	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)c1cccc2ncccc12)C1CC1	291721024	PTDXKGCTUKNPCJ-QGZVFWFLSA-N	313.357	1.811	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2ccccn2)n(C)c1C	800803362	FWRYJXFDMVATCE-UHFFFAOYSA-N	300.318	1.279	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H]2CC(=O)c3ccccc32)O1	294004045	VJLIEPAQOUDASK-WFBYXXMGSA-N	302.330	1.072	50	20	DDGD	
CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	293965259	RJUGWUPISOBRKI-QEJZJMRPSA-N	320.389	1.867	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNC(=O)[C@@H]2CCCCO2)cc1	295308033	FOLFORFKYQIDNR-AWEZNQCLSA-N	320.389	1.689	50	20	DDGD	
CC(C)[C@@H]1NCC[C@H]1C(=O)NNc1nc(-c2cccnc2)no1	290117666	KWBHHQJRHMSPKS-NEPJUHHUSA-N	316.365	1.209	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)ccc1N(C)C	292675430	PDDIBFIOTVXHSO-FZMZJTMJSA-N	320.393	1.781	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)C2CC2)CCOCC1	299127044	KCICALXFLYFIOW-UHFFFAOYSA-N	302.374	1.601	50	20	DDGD	
Cc1cccnc1NNC(=O)c1c(C)nn(C)c1Br	801227728	NQMFZWMILIDLLH-UHFFFAOYSA-N	324.182	1.951	50	20	DDGD	
CC[C@H]1CN([C@@H](CC)C(=O)NNc2ncccc2F)CCO1	804216773	YZKCNFDPACYBPC-AAEUAGOBSA-N	310.373	1.553	50	20	DDGD	
CC[C@@H](C)[C@H](CNC(=O)NNC(=O)c1ccc(C#N)cc1)OC	296281508	IGBUEQPFWOJQRX-RISCZKNCSA-N	318.377	1.563	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	297739015	CKEVOZQGPXFCRX-UHFFFAOYSA-N	308.338	1.086	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc2oncc2c1	814854022	ANJOIDRODWISTI-UHFFFAOYSA-N	302.334	1.583	50	20	DDGD	
CN(C)CC(=O)NN=C1COc2ccc(Br)cc21	814832035	BSYWAECQIUKVHO-UHFFFAOYSA-N	312.167	1.223	50	20	DDGD	
CC(=O)Nc1ccc(CC(=O)NNc2ncncc2F)cc1	817083305	GFKITVBZYWYSIT-UHFFFAOYSA-N	303.297	1.260	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)C[C@H](C)n2cccn2)n1	819903569	ZALPKVQBNDSOIW-LBPRGKRZSA-N	317.397	1.614	50	20	DDGD	
O=C(C[C@@H]1CCC(=O)N1)NNc1cccc(C(F)(F)F)c1	816916637	MOLGZWFNXBFYOB-VIFPVBQESA-N	301.268	1.817	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NN=Cc1cnn(C)n1	814917284	SDEBWQNSNAYTJU-VIFPVBQESA-N	307.741	1.386	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)NNC(=O)C1CCC1	815553357	YFCPCZVQCJDSAW-GDNZZTSVSA-N	323.393	1.047	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1CCO[C@H](C(F)(F)F)C1	814757867	UKNPPSANIGOXAZ-NSHDSACASA-N	309.332	1.932	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)C1(F)CCCCC1	810943864	FFYYRCSLCVRTRU-UHFFFAOYSA-N	317.361	1.331	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cnn2c1OCCC2	816663542	ZDVIFTCPUVVOKO-UHFFFAOYSA-N	317.305	1.639	50	20	DDGD	
CC(=O)[C@@H]1CC(C(=O)NN(C)C2CC2)=NN1c1ccccc1	819647203	JSDCTGLOUBLCTD-HNNXBMFYSA-N	300.362	1.336	50	20	DDGD	
O=C(NNc1ccccc1Cl)N[C@@H]1CCc2nnnn2CC1	817806120	WURFHUIJNQIHNW-SECBINFHSA-N	321.772	1.358	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccc(S(C)(=O)=O)cc1)n1cccn1	819412241	VOJKHXZEEAZKQG-NSHDSACASA-N	322.390	1.381	50	20	DDGD	
O=Cc1c[nH]c(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)c1	814842431	HMXRRNYTXJQVIN-UHFFFAOYSA-N	324.296	1.557	50	20	DDGD	
CC1CCN(C[C@@H](C)C(=O)NN=Cc2c[nH]c(C(=O)O)c2)CC1	814764844	YRNWMIIQRSUACK-GFCCVEGCSA-N	320.393	1.531	50	20	DDGD	
CCOc1ncc(C(=O)NNc2ncncc2F)cc1Cl	817079152	JXZRDSGOJHXAHF-UHFFFAOYSA-N	311.704	1.820	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@@H](Cc1ccc(F)cc1)C(C)C	828722078	JXGLBQBBRXLQCH-HNNXBMFYSA-N	323.412	1.786	50	20	DDGD	
CC(=O)NNC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1	725879284	ZSEIAPBGKGTOSD-UHFFFAOYSA-N	319.342	1.249	50	20	DDGD	
Cc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)c2cnn(C)c2)cc1C	828087271	HFYYGIBDCKGGEK-LSDHHAIUSA-N	312.373	1.602	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NC2CCSCC2)c1	729048386	CHCPJYSGCCMEKB-UHFFFAOYSA-N	304.375	1.398	50	20	DDGD	
CCN(CCO)NC(=O)COc1ccc(Cl)cc1Cl	823829727	WPGLTCPTPFDCLQ-UHFFFAOYSA-N	307.177	1.718	50	20	DDGD	
CC(=NNC(=O)NC1CCCC1)c1ccc(-c2nn[nH]n2)s1	823948724	VFBKVUZGJKSKBX-UHFFFAOYSA-N	319.394	1.894	50	20	DDGD	
N#C[C@H]1CC[C@@H](NC(=O)NNC(=O)Nc2cc(F)cc(F)c2)C1	823891810	WXFYLYUMSJJMMV-GZMMTYOYSA-N	323.303	1.993	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1OC	495366504	DEUKYXVOWGAQBL-UHFFFAOYSA-N	315.713	1.064	50	20	DDGD	
CCn1nc(C)cc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	825807905	XRDQLEAJFKSSOG-UHFFFAOYSA-N	312.337	1.148	50	20	DDGD	
Cc1ccccc1-n1ncc(C(=O)NN(C)[C@H](C)CO)c1C	823976431	CQVDQHNCKVVSAS-GFCCVEGCSA-N	302.378	1.447	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1CCCC(F)(F)C1	826739160	IMNACMUIAGJMKH-GUBZILKMSA-N	305.325	1.320	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)c1sccc1-c1nn[nH]n1	823280573	BRVQCOQUBWMOOC-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(N=c2cc[nH]cc2)cc1	823860021	HRDGYETXOITYLV-UHFFFAOYSA-N	300.362	1.206	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)[C@H](C)c1cccnc1	827297350	DXFDPDBXMBKYQA-MDZLAQPJSA-N	306.366	1.240	50	20	DDGD	
Cn1nc(C(=O)NNc2ccccc2[N+](=O)[O-])c2c1CCCC2	823543544	BVGBIOSVBYLQOW-UHFFFAOYSA-N	315.333	1.964	50	20	DDGD	
CC/C(C)=C/C(=O)NNC(=O)c1cc(Br)c[nH]1	822234244	JYJKLVASMVLZGK-QPJJXVBHSA-N	300.156	1.895	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCC[C@@H](O)c1ccccc1	823810107	HPOKQAQNSZXJJO-CQSZACIVSA-N	323.393	1.257	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1c(C)cc(N(C)C)cc1C	495326179	HKFAMNHYBPVOJV-UHFFFAOYSA-N	322.365	1.085	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CSC1CC1	822206698	UQQQZYVVTMHURX-VIFPVBQESA-N	312.366	1.636	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)NCc2ccco2)cn1	726901678	BEHYTTLCBMLICX-UHFFFAOYSA-N	321.362	1.384	50	20	DDGD	
CC(CSC(C)(C)C)=NNC(=O)[C@H](C)CN1CCOCC1	729636869	QJGHLAKWAFVVOE-GFCCVEGCSA-N	315.483	1.979	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H](c1ccccc1)C1CC1	825574446	SPGGIJGJRCTDJJ-GLQYFDAESA-N	317.389	1.893	50	20	DDGD	
CCC(CC)[C@H]1C[C@H](NCc2cccc(B(O)O)c2)CCO1	585033309	CPPRHAXHXRNKIV-IAGOWNOFSA-N	305.227	1.440	50	20	DDGD	
O=C1C[C@H](C(=O)NNC(=O)C2CCCC2)[C@@H]2CCCC[C@@H]2N1	821754366	AJBZKDKWUSJXQG-AVGNSLFASA-N	307.394	1.019	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)c1F	495408218	PYPFVPQPOKEOQT-UHFFFAOYSA-N	311.313	1.629	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(OCC(F)(F)F)cc1	823976512	FJCRFZKFVAYHMO-VIFPVBQESA-N	306.284	1.585	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CCCNC(=O)OC(C)(C)C	494301033	YSNLTIMCCQPSNS-UHFFFAOYSA-N	318.443	1.195	50	20	DDGD	
COc1cc(C=NNC(=O)c2cccc(C#N)c2)cc(O)c1O	728781637	SCTIDSXPXYFSJT-UHFFFAOYSA-N	311.297	1.742	50	20	DDGD	
COc1ncc(/C=C\C(=O)NNC(=O)c2ccccc2C)cn1	492641188	BZXJUWBYOOXRFF-FPLPWBNLSA-N	312.329	1.268	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)N[C@H]2C=CCC2)cc1C	821092557	OIZYYXWSRSQCSL-LBPRGKRZSA-N	316.361	1.291	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1	823936032	YOMKXKHTLCXULU-JQWIXIFHSA-N	315.414	1.024	50	20	DDGD	
CC(C)[C@@H](NC(=O)O)C(=O)NNC(=O)c1ccc(Cl)cc1	736374349	ITWNAKHHNKZWDW-SNVBAGLBSA-N	313.741	1.393	50	20	DDGD	
CCCCC[C@@H](O)C(=O)NNC(=O)c1cccc2ncccc12	823161115	ADZZDHSRLMVCTM-OAHLLOKOSA-N	315.373	1.937	50	20	DDGD	
Cc1cc(NNC(=O)c2cn(C)nc2-c2ccncc2)ncn1	734255636	PZSAQCCZKYFHLC-UHFFFAOYSA-N	309.333	1.337	50	20	DDGD	
CCC1(CC)[C@@H](N(C)C(=O)c2cccc(B(O)O)c2)C[C@H]1OC	584962981	NRZPHVBTLCDOSC-LSDHHAIUSA-N	319.210	1.032	50	20	DDGD	
CN(C[C@@H](O)Cc1ccccc1)C(=O)/C(C#N)=C/c1cnn(C)c1	490968915	CSYGQAQTUWMUCZ-BDBSJLECSA-N	324.384	1.389	50	20	DDGD	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)NCC(C)C)cc1	490846755	WDDPJNKRLYFHEQ-ZSOIEALJSA-N	316.357	1.918	50	20	DDGD	
C[C@H]1[C@@H](c2ccccc2)C[C@H]1NC(=O)c1ccc(B(O)O)cc1	584960561	RXCDNFVJBUGZIO-AFAVFJNCSA-N	309.174	1.288	50	20	DDGD	
CCn1cc(C=NNC(=O)[C@@H](C)CN2CCC(C)CC2)cn1	732527997	CBNSPTBXCJYKSU-AWEZNQCLSA-N	305.426	1.721	50	20	DDGD	
N#Cc1cccc(NNC(=O)NCCN2CCSCC2)c1	732891698	DYZMTBYSOVCMDW-UHFFFAOYSA-N	305.407	1.233	50	20	DDGD	
Cc1cc(C)n2nc(NC(=O)NNc3ccc(F)cn3)nc2n1	731362040	MDHYDHCKDTXQAK-UHFFFAOYSA-N	316.300	1.424	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNc1cc(Cl)nc(C)n1	839693495	ZOCINKDAWGYNED-QMMMGPOBSA-N	300.746	1.471	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNC(=O)Nc1ccccc1C	838777403	XLBZHTNUQACXMQ-OLZOCXBDSA-N	306.366	1.898	50	20	DDGD	
O=C1CC[C@@H]2[C@H]1[C@H]2C(=O)NNC(=S)NCCc1cccs1	905600954	VRGQEGURCXTLQG-JLLWLGSASA-N	323.443	1.011	50	20	DDGD	
O=C(N1CC[C@H](B(O)O)C1)C1(c2ccc(F)cc2F)CCCC1	585063755	GRTABXGOFMRVNI-NSHDSACASA-N	323.148	1.852	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(N(C)C)cc1	730577428	TUTYMGUVDUBGMG-CYBMUJFWSA-N	323.418	1.028	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](c2ccco2)C1	732206030	QICKDKOVXIIBNM-CHWSQXEVSA-N	307.394	1.651	50	20	DDGD	
O=C(NC[C@@H](O)Cc1cccc(F)c1)NNC(=O)C1CCCC1	836426451	KSEWFZGSJVFASJ-AWEZNQCLSA-N	323.368	1.250	50	20	DDGD	
COC[C@@H](C)NC(=O)NNC(=O)c1cccc2ncccc12	730111284	MWTNAIAXBHCIFO-SNVBAGLBSA-N	302.334	1.214	50	20	DDGD	
O=C(O)c1cnc(Cl)cc1C=NNC(=O)[C@H]1CCCS1	905478561	HEAUKGJFLRSVAT-SECBINFHSA-N	313.766	1.779	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@]2(C)CCCCO2)c1	837309386	LRODTPVCBWEUOA-KRWDZBQOSA-N	320.389	1.789	50	20	DDGD	
O=C(NNc1cc(O)nc2ncccc12)[C@H]1CSCCS1	913992264	UNWKUAFUSBOWQN-SNVBAGLBSA-N	322.415	1.627	50	20	DDGD	
O=C(NC[C@@H]1CCCCC1(F)F)c1cc(B(O)O)ccc1F	584995713	QLDWTLIBUCYJCR-VIFPVBQESA-N	315.100	1.061	50	20	DDGD	
CC(=O)N[C@@H](CCC(C)C)C(=O)NNC(=O)c1cccc(C)n1	834812183	JSQBQNPWKSVBEF-AWEZNQCLSA-N	320.393	1.092	50	20	DDGD	
N#CC(C#N)=CN[C@@H]1CCN(c2sccc2C(=O)O)C1=O	833065013	ZLQWEOWNZKLXSM-SNVBAGLBSA-N	302.315	1.072	50	20	DDGD	
CC(C)C(CNC(=O)c1ccc([N+](=O)[O-])cc1)=NNC(N)=O	734744165	CORFHMWXTKGQES-UHFFFAOYSA-N	307.310	1.005	50	20	DDGD	
O=C(NN=Cc1ccncc1)c1nn(-c2ccccc2)cc1O	916353838	YOTBBHPHEYASJU-UHFFFAOYSA-N	307.313	1.737	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCC(=O)Nc1c(F)cccc1F	910140990	OCVMTNVAKFBOPT-SECBINFHSA-N	315.320	1.027	50	20	DDGD	
O=C1[C@H](NS(=O)(=O)CCl)CCCN1c1ccccc1F	830976368	DRVTXEPZUALMHP-SNVBAGLBSA-N	320.773	1.437	50	20	DDGD	
Nc1cc(C(=O)NN=Cc2ccc([N+](=O)[O-])o2)cc([N+](=O)[O-])c1	916344593	CFILMGZIRHJSSU-UHFFFAOYSA-N	319.233	1.442	50	20	DDGD	
C[C@@H](CN)CNC(=O)NNC(=O)Cc1cccc2ccccc12	841962842	MEUFQJGKRWEDBZ-LBPRGKRZSA-N	314.389	1.308	50	20	DDGD	
COc1ccc2c(=O)c(C(=O)NNc3ncccn3)c[nH]c2c1	917083266	DAZJQURJCFRRCK-UHFFFAOYSA-N	311.301	1.084	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCOc1ccccc1[N+](=O)[O-]	918686888	BQMVPNCPXFHBCE-UHFFFAOYSA-N	324.362	1.045	50	20	DDGD	
Cc1ccc(C=NNC(=O)CCNC(=O)OC(C)(C)C)nn1	841632240	CUJHNLITIKZJLP-UHFFFAOYSA-N	307.354	1.150	50	20	DDGD	
CSCC1(CC(=O)NNC(=O)c2ccc(C)cc2O)CC1	846632798	RLCOXJFXTWEQLO-UHFFFAOYSA-N	308.403	1.995	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1ccn(-c2ccccc2)n1	915062224	KIAHNEPFMJNYBY-UHFFFAOYSA-N	322.324	1.653	50	20	DDGD	
C[C@H](C(=O)NNc1nc2ccccc2c(=O)n1C)c1ccco1	741692529	UUXVNTQDPOGCTO-JTQLQIEISA-N	312.329	1.773	50	20	DDGD	
C=C(C)CONC(=O)NNC(=O)c1ccc(OC)c(OC)c1	845590465	QOIPYALVRUHWTN-UHFFFAOYSA-N	309.322	1.156	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccc2nc(C3CC3)oc2c1	841138090	SNHXIQQXSQRAPS-UHFFFAOYSA-N	317.349	1.597	50	20	DDGD	
COc1ccccc1C(C)(C)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843646193	IKUZPPSGQZKKQI-NEPJUHHUSA-N	320.389	1.545	50	20	DDGD	
CCCCSCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	914466213	HUBXSCZRCLDPPC-NSHDSACASA-N	308.469	1.012	50	20	DDGD	
Cc1nn(-c2ccccc2)cc1NC(=O)NNC(=O)CCCN	841178932	IPLHVULDIRLSAQ-UHFFFAOYSA-N	316.365	1.072	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCc1cc(Cl)cs1	843650249	AFEDHFCBLDFSSE-GZMMTYOYSA-N	316.810	1.907	50	20	DDGD	
CC(C)NCCCNC(=O)NNC(=O)Cc1ccc(F)cc1	841933832	KSOSHFLBJAHJEN-UHFFFAOYSA-N	310.373	1.087	50	20	DDGD	
C[C@H]1CCC[C@H](C(=O)NNC(=O)CNC(=O)c2cccs2)C1	741552475	DUQZTGNIBPVTGY-QWRGUYRKSA-N	323.418	1.452	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@@H]1C[C@H](C)O[C@H]1C	840436704	QLWHZEMQRGNIHB-SRVKXCTJSA-N	321.377	1.453	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)NC2CC2)c1	849203757	JCTGZBPLZTYFPR-KAQJVSAMSA-N	314.341	1.812	50	20	DDGD	
CC(=O)Nc1ccc(C(C)=NNC(=O)[C@H]2CCO[C@H]2C)cc1	842561524	LCBGTJHCHHFXSB-NHYWBVRUSA-N	303.362	1.910	50	20	DDGD	
C[C@H]1OC(=O)N[C@H]1C(=O)NNc1c(Cl)cccc1Cl	841402308	BRCCUIYYJYQQLY-SVGQVSJJSA-N	304.133	1.933	50	20	DDGD	
Cc1cccc(CC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1Cl	843660982	YRSOLFYTDUJGOD-JQWIXIFHSA-N	310.781	1.763	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=Cc1cccc2[nH]ccc12	755751361	WKPAUSBACGMBSP-UHFFFAOYSA-N	311.301	1.062	50	20	DDGD	
COc1cc(C#N)cc(OS(=O)(=O)CBr)c1	752833918	RLGHEHUFUAITAO-UHFFFAOYSA-N	306.137	1.628	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1ccc(C(=O)NC2CC2)cc1	756844970	AMHGIHMDYOTHPN-UHFFFAOYSA-N	324.340	1.049	50	20	DDGD	
COC(=O)N(C)CCNC(=O)NNc1ncnc2ccsc12	852660591	IBMYUGKWFHOBBS-UHFFFAOYSA-N	324.366	1.016	50	20	DDGD	
COCC1(C)CN(C(=O)NC[C@]2(C)C[C@@H]2Br)C1	856954246	HTLBIPZDKWTBBN-CABZTGNLSA-N	305.216	1.838	50	20	DDGD	
Cc1cc(NNC(=O)CCN2C(=O)CCC2=O)ccc1Cl	928342021	OKBSYDRZMMENIM-UHFFFAOYSA-N	309.753	1.631	50	20	DDGD	
COc1cccc(NNC(=O)[C@H]2C[C@@H](C)Cc3c[nH]nc32)n1	857862849	LZUVMLSLSHVZBX-ONGXEEELSA-N	301.350	1.623	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)OCC(F)(F)F)cc1F	856024461	WGQSGNABTLTZIJ-UHFFFAOYSA-N	323.246	1.825	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)/C(C)=C\c1ccco1	854388135	XYEZZVCIOSYBPI-KHPPLWFESA-N	310.350	1.620	50	20	DDGD	
O=C(CCCN1C(=O)CCC1=O)NNc1ccc(Cl)cn1	856095050	DRGMFYDVFMUDKC-UHFFFAOYSA-N	310.741	1.107	50	20	DDGD	
CCCN(NC(=O)C[C@@H]1CCC(=O)N1C)C(=O)OC(C)(C)C	854432967	XSWAYODSGGGKNH-NSHDSACASA-N	313.398	1.676	50	20	DDGD	
O=C(NNC(=O)C1(c2ccc(F)cc2F)CCC1)c1cc[nH]n1	855357150	BQZXNAJBDMUORQ-UHFFFAOYSA-N	320.299	1.571	50	20	DDGD	
CCNC(=O)N(C)N=Cc1cc(C(=O)OC)c2n1CCCC2	857212168	VBWHTVAJCYCWAN-UHFFFAOYSA-N	306.366	1.606	50	20	DDGD	
C[C@@H]1CCN(C[C@@H](CBr)C2CC2)[C@H](C(N)=O)C1	859261443	NWCLWTCIMNTOGH-JLLWLGSASA-N	303.244	1.993	50	20	DDGD	
O=C(CN(C1CC1)C1CC1)NNC(=O)c1cccc(Cl)c1	859624595	XEQQJVNQUWCUDF-UHFFFAOYSA-N	307.781	1.728	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)NC2CCCC2)CCOc2ccccc21	930964690	GMXZNSZJUDQFDC-KRWDZBQOSA-N	317.389	2.000	50	20	DDGD	
N#CSCCCNC(=O)C1(S(=O)(=O)c2ccccc2)CC1	854362124	BPRRXPMORYVVGQ-UHFFFAOYSA-N	324.427	1.713	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CCO[C@@H](C)C2)c1C	853946836	OFIPQCRGFUCGSQ-CMPLNLGQSA-N	321.377	1.975	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@H]1OCCc2ccccc21	855090851	SGJJEBISEIEFRD-AWEZNQCLSA-N	319.430	1.596	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)CN2CCCC2=O)C[C@@H]1C	758099892	OKVRLJQMLOOEIR-AAEUAGOBSA-N	323.393	1.080	50	20	DDGD	
CC(C)n1ccc(C(=O)NNc2nc(O)c3ccccc3n2)n1	758310435	DLFAVQMTIAINJE-UHFFFAOYSA-N	312.333	1.870	50	20	DDGD	
CCOC(=O)N1CSC[C@@H]1C(=O)NNc1ncccc1F	935917911	FKJLHIXIQOLCND-SECBINFHSA-N	314.342	1.195	50	20	DDGD	
CC(CN1Cc2ccccc2C1=O)=NNC(=O)c1ccncc1	754901795	SBDAMMOEYGMNBG-UHFFFAOYSA-N	308.341	1.843	50	20	DDGD	
CCCCS(=O)(=O)CC(=O)NNc1ccc(F)cc1F	935020642	RTTQXNPKHQTZJC-UHFFFAOYSA-N	306.334	1.623	50	20	DDGD	
COC(=O)Cc1occ(C)c1C(=O)NNc1cccc(C)n1	862519697	OSVZGTGQFLATHB-UHFFFAOYSA-N	303.318	1.764	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1sc(C(C)C)nc1C	863148521	DKCIKSNDHDMGQG-JTQLQIEISA-N	308.407	1.694	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)cc1)c1cscn1	767900353	VXBAIUUEDFHATN-UHFFFAOYSA-N	302.359	1.930	50	20	DDGD	
CC(C)NC(=O)CCCC(=O)NNc1nc2ccccc2[nH]1	768500706	SDLBZUBQRHYTJM-UHFFFAOYSA-N	303.366	1.701	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C(C)(C)O)c(OCC2CC2)c1	768243375	CYZYEHXORVXFLC-UHFFFAOYSA-N	322.361	1.016	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)C2(c3ccccn3)CC2)c1	864559719	OMVJFGVUNYHNOK-UHFFFAOYSA-N	324.384	1.640	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](C)OCc2ccncc2)n1	866294610	KPZAEJJYZOMACA-LLVKDONJSA-N	317.349	1.237	50	20	DDGD	
COCCOCC(=O)NNc1nc2ccccc2[nH]c1=S	862293707	NNNNJMJDFHRWBB-UHFFFAOYSA-N	308.363	1.398	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)NCCCOC)cc(Cl)n1	930733690	YKMPXLBSSOUGTJ-UHFFFAOYSA-N	314.773	1.278	50	20	DDGD	
COc1cc(NNC(=O)[C@@H](C)[C@H]2CCC(=O)N2)ccc1Cl	861401960	KZCMNIFPDFXODG-GZMMTYOYSA-N	311.769	1.706	50	20	DDGD	
CC(=NNC(=O)c1cccc(S(C)(=O)=O)c1)C(F)(F)F	761783069	UGWRSKJZVXFNOT-UHFFFAOYSA-N	308.281	1.758	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(OCCC(C)C)cc1	763441528	WINQVXJDGWVNQC-UHFFFAOYSA-N	321.377	1.607	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NN=C2CCCN3CCCC[C@@H]23)CCCN1C	863141574	NVBJBGZESHCMJE-FMKPAKJESA-N	306.454	1.837	50	20	DDGD	
COCCOCC(=O)NNC(=O)[C@@H](c1ccccc1)C(C)C	869909652	DXNGMHDOURDKDJ-OAHLLOKOSA-N	308.378	1.237	50	20	DDGD	
O=S(=O)(CBr)N[C@H]1CCc2cc(O)ccc2C1	767587997	TZWDSMVKGDWIPE-JTQLQIEISA-N	320.208	1.521	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]21	762580429	KZCZAVTYXFOFGU-KXUCPTDWSA-N	317.480	1.743	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CN(C)Cc2ccccc2)c1	1118942481	FETBGKCSJUHMAT-UHFFFAOYSA-N	317.414	1.950	50	20	DDGD	
CCOc1nccc(C)c1C(=O)NNc1ncncc1Cl	765539830	ZRTJXOCKNPSAOK-UHFFFAOYSA-N	307.741	1.989	50	20	DDGD	
COC(=O)N(C)CC(=O)NNC(=S)Nc1cc(C)ccc1C	873753670	BJNMLBOBCWMSSS-UHFFFAOYSA-N	324.406	1.319	50	20	DDGD	
Cc1cc(=NNC(=O)NCCCCC(=O)OC(C)(C)C)cc[nH]1	875455301	NEXJZWRAWXKKTG-UHFFFAOYSA-N	322.409	1.950	50	20	DDGD	
COCCN1CCN(C(=O)[C@H](Br)C(C)(C)C)CC1	768125557	OMKDRYDNOUODHY-NSHDSACASA-N	321.259	1.587	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2ncnc3ccsc23)c1[N+](=O)[O-]	766679462	ZGCNFTOBVDYBMS-UHFFFAOYSA-N	319.306	1.388	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)NOCC(F)(F)F	765988700	SHGSXEIKXPPUDH-UHFFFAOYSA-N	316.239	1.606	50	20	DDGD	
C[C@@H]1[C@H](NC(=O)NNc2ccc(F)cc2)CCS1(=O)=O	875868074	DBAKFORLZNACBJ-LDYMZIIASA-N	301.343	1.027	50	20	DDGD	
CC(=NNC(=O)[C@H]1COc2ccccc2O1)c1cn(C)cn1	872327242	KURGHHASJMIRNW-CQSZACIVSA-N	300.318	1.100	50	20	DDGD	
COc1ccc([C@H](OC)[C@H](C)NC(=O)NNC(=O)C(C)C)cc1	772075030	MRBRYAOSWXGILP-SMDDNHRTSA-N	323.393	1.758	50	20	DDGD	
O=C(NNC(=O)N1CC[C@@H]2C[C@H]2C1)c1nc2ccccc2s1	873305791	YNBATCRRIWGTIN-ZJUUUORDSA-N	316.386	1.993	50	20	DDGD	
Cc1ccccc1OCCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	1118208817	YBTYOMCURILOGC-CHWSQXEVSA-N	306.362	1.336	50	20	DDGD	
O=C(NNc1ncccn1)C(=O)Nc1cccc2ccsc12	773719466	LFOHEFAGKYIVTO-UHFFFAOYSA-N	313.342	1.773	50	20	DDGD	
C=C(C)CN(C)CC(=O)NNC(=O)c1cc(C)c(CC)s1	778237193	KXZUOEWCEFQPBY-UHFFFAOYSA-N	309.435	1.888	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1ccco1	778435960	CCXRYCHMVNJIFV-VIFPVBQESA-N	311.338	1.055	50	20	DDGD	
Cc1cc(C(=O)NNc2ncc(F)cn2)nn1[C@H](C)C1CC1	777427746	XCIUXOCLFRLFSX-SECBINFHSA-N	304.329	1.849	50	20	DDGD	
Cc1ccc(C)c2c1OCCC2=NNC(=O)N1CCN(C)CC1	1116744618	SIKREIRGEYASBH-UHFFFAOYSA-N	316.405	1.747	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)c3cc(F)ccc3F)nc21	770974535	VARKKROGIUWCBV-UHFFFAOYSA-N	320.259	1.104	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)c1cnsn1	771551903	HXNDJTVOEXSZAV-UHFFFAOYSA-N	300.141	1.453	50	20	DDGD	
COC(=O)c1ccc(C(=O)NN=c2cc[nH]cc2Cl)c(F)c1	774051372	BIKYGWDFKCDVPA-UHFFFAOYSA-N	323.711	1.840	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NN=Cc1ccnn1C	773104005	PBFKGWVMXJWDSN-JTQLQIEISA-N	306.753	1.991	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)c2cccc(N(C)C)c2)sc1C	770073274	LRCWTOXJFSNTLT-UHFFFAOYSA-N	318.402	1.901	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc2cc(F)ccc2o1	772138728	XOYYYMAVIHNITE-QMMMGPOBSA-N	322.292	1.675	50	20	DDGD	
CCNC(=O)NN=Cc1c(Cl)cccc1S(C)(=O)=O	773202466	ZBDMCOPWEDUDNN-UHFFFAOYSA-N	303.771	1.397	50	20	DDGD	
CS(=O)(=O)c1ccc([C@@H](O)CN2CC=C(C#N)CC2)cc1	779586090	NMHZDQQBVBBGNM-HNNXBMFYSA-N	306.387	1.279	50	20	DDGD	
CC(C)Oc1cc(NC(=O)NNC(=O)c2ccncc2)ccn1	779930804	WUXBGWSOTNQEPQ-UHFFFAOYSA-N	315.333	1.730	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1nccs1	770111918	WPEREHRSKLTBPD-MRVPVSSYSA-N	309.322	1.511	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2cnc3ccccc3n2)cn1	773718094	IHWUCBHRNBLUDX-UHFFFAOYSA-N	322.328	1.415	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)[C@@H]1CCCCS1(=O)=O	885112700	AJABKZJONJSBSJ-NSHDSACASA-N	304.318	1.375	50	20	DDGD	
CN(C(=O)C1CCC(Cl)CC1)[C@@H]1CCN(S(C)(=O)=O)C1	1123888045	ZVDRELNZBMZEQY-HTAVTVPLSA-N	322.858	1.276	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1c1ccccc1)C1CCOCC1	883069862	YSRZDEJVEKRDKX-HNNXBMFYSA-N	317.389	1.229	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccc3nsnc3c2)c1	776706779	OKJIWCDFVWXLMR-UHFFFAOYSA-N	323.337	1.638	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccccc1CS(C)(=O)=O	770340068	TVMOSXMVZNASKN-UHFFFAOYSA-N	313.379	1.040	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)[C@@H]1CCCS(=O)(=O)C1	885126832	HQMWODWQJDEUHO-SNVBAGLBSA-N	316.810	1.916	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)C1=Cc2ccccc2OC1	883061082	HVHHXKXELUGSSJ-UHFFFAOYSA-N	302.330	1.036	50	20	DDGD	
COC(=O)c1ccc(C=NNC(N)=O)c(Br)c1	788928333	GQXQQWZGQLEWSB-UHFFFAOYSA-N	300.112	1.238	50	20	DDGD	
CCOC(=O)[C@H](CC)N(C1CC1)S(=O)(=O)CCCCl	882114749	YIHOAZBXSZLQSM-NSHDSACASA-N	311.831	1.751	50	20	DDGD	
CS(=O)(=O)CC1(COC(=O)/C(C#N)=C/c2ccccc2)CC1	785344562	KWTIWZAEUNOYOT-NTEUORMPSA-N	319.382	1.962	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)c1cccnn1)Cc1cccs1	883458932	BQICPQAYIUAHTK-JTQLQIEISA-N	319.390	1.361	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CN1CCSC1=O	780737189	HJXSWFQMNDRAAG-UHFFFAOYSA-N	309.347	1.085	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)cc1Cl	787265045	PLTILGIRQUGRIM-NXEZZACHSA-N	320.780	1.946	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@H](CC)[C@H](C)O)cc1OC	789938508	COYCTIJDYFSICY-JQWIXIFHSA-N	324.377	1.262	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H]2CCCN2C(C)C)n1	896669446	YFRODSMSUMOVIF-ZDUSSCGKSA-N	320.441	1.639	50	20	DDGD	
Cc1c(C(=O)NNc2nnc(-c3ccccn3)s2)cnn1C	788563473	DXTMTZUXHFGSJX-UHFFFAOYSA-N	315.362	1.399	50	20	DDGD	
CCNC(=O)CC(=O)NNC(=O)c1c(Cl)cccc1Cl	780928152	MRRKHDBLUIDZSK-UHFFFAOYSA-N	318.160	1.281	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C1CCC1)[C@H]1CCCN(C2CCC2)C1	781403165	WQVXNNJDVUYHFG-OCCSQVGLSA-N	322.453	1.770	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(F)cc1OCC#N	785860484	FPVDPHIEOVMZGW-UHFFFAOYSA-N	309.301	1.426	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cccnc2Cl)cc1	783035638	YMFBCNIVGQFLIW-UHFFFAOYSA-N	320.736	1.825	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@H]1CN1CCC[C@](O)(C(=O)N2CCCC2)C1	894367164	PYQHKDWJBKZACC-PWNZVWSESA-N	300.830	1.309	50	20	DDGD	
Cc1ccc(/C=C(/C#N)S(N)(=O)=O)c(Br)c1	799893051	DJFYBDRUPYCTFI-UITAMQMPSA-N	301.165	1.911	50	20	DDGD	
CO[C@@H]1CCOC[C@H]1NC(=O)NNc1cc(F)cc(Cl)c1	898079843	QOOFKJXZMJWHRU-VXGBXAGGSA-N	317.748	1.909	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)C(=O)Nc1cncc(F)c1	799261271	VSBGNVSNRBUGNA-UHFFFAOYSA-N	310.235	1.581	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CNC(C)(C)c1ccccc1F	795234682	ZTPVKJHAENJVHT-UHFFFAOYSA-N	309.385	1.844	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)c1c(C)nc2ccccn12	792853970	IBLUYJIUHLJIES-HZMBPMFUSA-N	318.377	1.465	50	20	DDGD	
Cc1cccnc1NNC(=O)NCc1cccc2c1OCO2	791013540	IDPAIVLSTSKXDS-UHFFFAOYSA-N	300.318	1.945	50	20	DDGD	
COC(=O)COc1cccc(C(=O)NNc2ncccc2C)c1	791223016	VSDSKFOSLYQZAA-UHFFFAOYSA-N	315.329	1.699	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1	793473373	FMQYFWVIKJVDMZ-OCCSQVGLSA-N	323.368	1.829	50	20	DDGD	
Cc1noc(C2CCC(=NNC(=O)CN3CCCC3=O)CC2)n1	797400988	WDGBVYUXRAFJMK-UHFFFAOYSA-N	319.365	1.130	50	20	DDGD	
CCCOc1cccnc1C(=O)NNC(=O)NCC(F)(F)F	798314996	KDFXSVWXSZJYPW-UHFFFAOYSA-N	320.271	1.377	50	20	DDGD	
Cn1c(=NNC(=O)c2cc([N+](=O)[O-])n[nH]2)sc2ccccc21	795019656	KHRZUEUSUGKDLH-UHFFFAOYSA-N	318.318	1.117	50	20	DDGD	
O=S(=O)(c1cccc(Cl)c1Cl)N1CC[C@H](B(O)O)C1	585061431	XIWBPXXGNZOGCI-ZETCQYMHSA-N	323.994	1.231	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NC[C@@H](C)S(C)(=O)=O	799609122	BXWXGKXSZWNNTB-LLVKDONJSA-N	313.423	1.617	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H](C)C[C@H]2CCOC2)n1	792995113	KRWXAIQHDGVKCY-VXGBXAGGSA-N	306.366	1.149	50	20	DDGD	
Nc1cnnc(NNC(=O)CCCc2ccccn2)c1Cl	1319214422	IBJRLLWAPQYJAA-UHFFFAOYSA-N	306.757	1.573	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C(C)(C)Oc1ccccc1	1318733354	UXWSKGDPTGXYAQ-UHFFFAOYSA-N	302.334	1.337	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@]1(C)COc2ccccc2O1	1328758282	SBENIXTYGDZKHA-AWEZNQCLSA-N	309.391	1.120	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc(-n3ccnc3)nn2)c(C2CC2)n1	1327686405	RHSWAMHYPDABON-UHFFFAOYSA-N	324.348	1.030	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H](C)[C@@H]2CCOC2)cc1	1325106762	FTPUBNQLTJUKRT-ZYHUDNBSSA-N	307.350	1.064	50	20	DDGD	
C=C(CC)CNC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1328947869	FJMANZANKXYKKH-BXKDBHETSA-N	303.200	1.359	50	20	DDGD	
Cn1ccc(NNC(=O)[C@]2(C(=O)OC(C)(C)C)CC=CCC2)n1	1328831687	CVBFBIGFQJEZSQ-INIZCTEOSA-N	320.393	1.931	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1cnc(C2CC2)[nH]1	1323809634	ONBBIRHRJJMXLV-UHFFFAOYSA-N	309.329	1.886	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H](C)c2cnn(C)c2)cc1	1322194655	PYNLXPQOLIAWFS-SNVBAGLBSA-N	317.349	1.134	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccc(F)cc2C1)NC1CCCC1	1320297833	UNOBYKZPWODZHP-LLVKDONJSA-N	321.352	1.650	50	20	DDGD	
CC[C@H](CSC)NC(=O)NNC(=O)c1ccc(OC)cc1	1324891267	PGXIEVYEWAFULH-LLVKDONJSA-N	311.407	1.781	50	20	DDGD	
CC(C)c1cnc(NC(=O)C(=O)NNc2cccnn2)s1	1320745668	KRYAHIQFGZGBRU-UHFFFAOYSA-N	306.351	1.138	50	20	DDGD	
C[C@H]1CC[C@H](CC(=O)NNC(=O)c2n[nH]c3c2CCCC3)C1	1332493666	QUSUOJGREWBEHV-QWRGUYRKSA-N	304.394	1.876	50	20	DDGD	
O=C(NNC(=O)c1ccc2nonc2c1)NC1CCCCC1	1332555622	FLNCYTBGRDDMLR-UHFFFAOYSA-N	303.322	1.500	50	20	DDGD	
CC[C@@H]1C[C@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CCO1	1254358890	MHTBYQXHFUINPK-GHMZBOCLSA-N	320.393	1.255	50	20	DDGD	
CN(CCCF)c1nnnn1C[C@]1(C)C[C@@H]1Br	1335162826	YNIWPQHTQZKQCG-WPRPVWTQSA-N	306.183	1.642	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H](C)[C@@H]1CCC(=O)N1	1331554453	GSGXBBZDTGYNAE-SCZZXKLOSA-N	308.290	1.424	50	20	DDGD	
Cc1cc2cc(NC(=O)NNC(=O)C3CC3)ccc2n(C)c1=O	1261285878	GPELQDGRYBBUPI-UHFFFAOYSA-N	314.345	1.410	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCC[C@@H](OC)C2)cc1	1343851690	WHYVGVOEQWRHDD-TZMCWYRMSA-N	306.362	1.661	50	20	DDGD	
Cc1ccc(C)c(-c2cc(C(=O)NNC(=O)[C@@H]3C[C@@H]3F)n[nH]2)c1	1346722371	SDWXXBYCCFJHHQ-NEPJUHHUSA-N	316.336	1.813	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1ncccc1Br	1263997632	YHPHMSLDKWJPJG-HJWRWDBZSA-N	310.151	1.904	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@H]2C[C@@H]2F)ccc1OC(C)C	1346233066	ADYFOARWPMUSLI-QWRGUYRKSA-N	310.325	1.601	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(Cl)n1	1350168510	HLDSPHNPHWCTPQ-BDAKNGLRSA-N	312.757	1.621	50	20	DDGD	
COc1cc(F)cc(OC)c1C=NNC(=O)C1CCOCC1	1353089720	JXLZCQMWMUCRPW-UHFFFAOYSA-N	310.325	1.720	50	20	DDGD	
CC1=NO[C@H](CNC(=O)NNc2ccc(C(=O)O)cc2F)C1	1604618731	RYNGWGDONOEMEI-VIFPVBQESA-N	310.285	1.315	50	20	DDGD	
C[C@]1(CNC(=O)C23CC(C(=O)O)(C2)C3)C[C@H]1Br	1604575413	KSIDUGYGFKUJJK-PEVVOKDZSA-N	302.168	1.531	50	20	DDGD	
O=C(O)COc1ccc(C(=O)NNC(=O)C2CCCC2)cc1	1608758263	AQCUBINZSWYHTF-UHFFFAOYSA-N	306.318	1.101	50	20	DDGD	
O=Cc1ccc(CC(=O)NNc2ccc(CC(=O)O)cc2)cc1	1602666400	CUQPUZQZOWVAQH-UHFFFAOYSA-N	312.325	1.812	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1ccc(C(=O)O)[nH]1	1601292220	QCNULJBEOOFGQF-UHFFFAOYSA-N	301.302	1.107	50	20	DDGD	
O=C(C[C@@H]1C[C@H]2CC[C@H]1O2)NNc1cccc(F)c1C(=O)O	1601250809	QTDHNKRQLBFFIC-YGOYTEALSA-N	308.309	1.925	50	20	DDGD	
Cc1cc(C=O)c(O)c(C(=O)NNc2ccccc2C(=O)O)c1	1607633051	BDVDUQAICAAEGE-UHFFFAOYSA-N	314.297	1.968	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cccn2[C@@H](C)C(=O)O)n1	1607629768	HGRRUGVVSNFFME-LBPRGKRZSA-N	317.349	1.097	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@H]1CCCc2nn[nH]c21	1602230050	CIYMSKVTZIRRRL-ZETCQYMHSA-N	319.296	1.205	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)O)cn1	1600947156	SBXNMZGPEFVBOA-MIXSHOFASA-N	314.345	1.039	50	20	DDGD	
Cc1ccc(NNC(=O)c2cn(C)nc2Cl)cc1C(=O)O	1600462281	XGJVJGUFYRIZKU-UHFFFAOYSA-N	308.725	1.837	50	20	DDGD	
Cc1n[nH]cc1CNC(=O)NNc1cccc(C(=O)O)c1C	1607939794	SVADTZTYIOMPBS-UHFFFAOYSA-N	303.322	1.551	50	20	DDGD	
Cc1cnccc1CC(=O)NNc1cccc(F)c1C(=O)O	1600629970	KGLDBXGGUQEAHV-UHFFFAOYSA-N	303.293	1.913	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)c1cnc[nH]1	1606856342	ZRBAQIUZCHOUJS-UHFFFAOYSA-N	304.701	1.000	50	20	DDGD	
O=C(NN=Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(O)c(O)c1	1609557483	PRZSDFXFBNLMKY-UHFFFAOYSA-N	324.300	1.042	50	20	DDGD	
CSc1nccnc1C(=O)NNc1ccc(C(=O)O)cc1F	1607415493	PJRCUMGRFOVJJZ-UHFFFAOYSA-N	322.321	1.793	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc(C(=O)O)cc2)nc1	1610509977	VKMRYDSIPHRVQM-UHFFFAOYSA-N	314.301	1.170	50	20	DDGD	
O=C(NCC[C@@H]1CCOC1)NNc1cccc(C(=O)O)c1F	1610691347	XXZLVDDIJSTEIK-SECBINFHSA-N	311.313	1.577	50	20	DDGD	
CC[C@@H](NC)C(=O)NNC(=S)Nc1ccc(OC)c(F)c1	1577171920	BCJIXYNCPPWBKL-SNVBAGLBSA-N	314.386	1.150	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2C[C@H]3CN[C@@H](C3)C2)c1	1579832385	FWYUXMXCYURXHQ-GARJFASQSA-N	308.407	1.141	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)C2(N)CCCC2)c1	1579705577	CXDCYWAHMBNCJM-UHFFFAOYSA-N	310.398	1.723	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cccc(CCC(=O)O)c1	1588843928	UKNVNKLRWKTIHD-UHFFFAOYSA-N	307.350	1.903	50	20	DDGD	
Cc1ncc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](F)Cl)[nH]1	1847910944	NTSUMUVFTGWFMZ-GARJFASQSA-N	314.748	1.068	50	20	DDGD	
C[C@@H]1CN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C[C@@H](C(=O)O)O1	1599851853	SNAAMHVOQFLWBS-UJBGEDJVSA-N	318.304	1.433	50	20	DDGD	
CCC1(C(=O)N2CCCC23CN(C(=O)[C@@H](F)Cl)C3)COC1	1845908886	ZFISSIOXRKKUGC-SNVBAGLBSA-N	318.776	1.151	50	20	DDGD	
O=C(C(Cl)Cl)N1CC2(CCCN2C(=O)c2cc[nH]n2)C1	1841700532	IZPZNYDDUNUGKW-UHFFFAOYSA-N	317.176	1.030	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cnc[nH]2)C1	1842422247	CHBBNMHUSGIVIF-NSHDSACASA-N	324.812	1.634	50	20	DDGD	
Cc1ccc(CCC(=O)NNc2ccc(-c3nn[nH]n3)cn2)cc1	1592149031	WWXKIEQHMIBPNP-UHFFFAOYSA-N	323.360	1.646	50	20	DDGD	
CCc1cnc(CC(=O)NNc2ccc(CC(=O)O)cc2)[nH]1	1597627073	AWERBWPLCHQWAL-UHFFFAOYSA-N	302.334	1.285	50	20	DDGD	
Cc1cc(C)c(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c(C)n1	1591946553	OCVQFROGZNZBAR-UHFFFAOYSA-N	323.360	1.944	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)C(=O)O)C[C@H]1C(F)(F)F	1596568263	JJMHEYCXTDWYMK-HTQZYQBOSA-N	324.255	1.085	50	20	DDGD	
COc1cc(NNC(=O)c2cc(C(=O)O)nn2C)ccc1Cl	1594066717	UYQZHISDIDRJKY-UHFFFAOYSA-N	324.724	1.537	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@]2(C(=O)O)C[C@H]2C)c1C	1593896617	CUBNDBULSJOOLZ-GLEZIHRCSA-N	306.318	1.336	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C\c1ccc(C(=O)O)c(C)c1	1599161536	MWJGPNVFKFCQCV-HKMIMPICSA-N	302.330	1.751	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)O)C2	1793684521	FFQKJDXRAWUXIH-LBELIVKGSA-N	316.829	1.413	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1ccc(O)c([N+](=O)[O-])c1	162900917	IKGWBYZDMZRAMX-UHFFFAOYSA-N	307.306	1.642	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)COc1cc(C)ccc1C	158338124	NRPRTBBHLLKBEW-UHFFFAOYSA-N	308.378	1.502	50	20	DDGD	
Cc1ccc(NNC(=O)Cn2nnc3ccccc3c2=O)cc1	153012461	KVLYLXJYQQZRGR-UHFFFAOYSA-N	309.329	1.243	50	20	DDGD	
COCCC1(C(=O)NNC(=O)c2cccc(C#N)c2)CCCC1	153424629	IOPXDLSCOCXJAR-UHFFFAOYSA-N	315.373	1.916	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccccc2F)c(C)n1	155612927	YUERPXXWXPALFP-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
O=C(CCCc1nc(C2CC2)no1)NNc1nccnc1Cl	155239005	ADELPXDOWSFIOU-UHFFFAOYSA-N	322.756	1.856	50	20	DDGD	
N#Cc1ccc(NNC(=O)CCNC(=O)c2ccsc2)cc1	155482993	NUGCWOMPMOKLOU-UHFFFAOYSA-N	314.370	1.883	50	20	DDGD	
NC(=O)COc1ccc(C(=O)NNc2cccc(F)c2)cc1	154788014	VXDRVOXXTXWXJG-UHFFFAOYSA-N	303.293	1.447	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccccc1OCC(=O)O	208023146	UOSMRXUZFBJNAL-LCYFTJDESA-N	318.329	1.210	50	20	DDGD	
CN(NC(=O)C(C)(C)N1C(=O)c2ccccc2C1=O)C1CC1	819650263	WRNPRNUKEOOTFT-UHFFFAOYSA-N	301.346	1.187	50	20	DDGD	
CN(C(=O)OC(C)(C)C)[C@@H]1CCN(S(=O)(=O)CCl)C1	830791439	SZRWGYQLJDJBET-SECBINFHSA-N	312.819	1.454	50	20	DDGD	
CNC(=O)CCCC(=O)N(C)NC(=O)OCc1ccccc1	862289159	CQKSIPHXLDIRGI-UHFFFAOYSA-N	307.350	1.203	50	20	DDGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCOC1	112692679	FUNOFDJKOGZASD-VIFPVBQESA-N	308.725	1.870	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)NCC2CC2)cc1OCC	65197854	XRQQWGLMOHQHJN-UHFFFAOYSA-N	321.377	1.838	50	20	DDGD	
O=C(NNc1nc(Br)cn2ccnc12)C1CCC1	176197358	IHFRGQURJITKGD-UHFFFAOYSA-N	310.155	1.735	50	20	DDGD	
CCCC[C@H](CCC)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1	175985597	QKRSXLPBVYHCAU-GXTWGEPZSA-N	319.471	1.726	50	20	DDGD	
CN(Cc1nccs1)C(=O)NNC(=O)c1ccc(C#N)cc1	177450180	ISDTYXCPPNUGRH-UHFFFAOYSA-N	315.358	1.501	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(-c3ccccc3)[nH]n2)n1	174484827	KAOSQOYPAVZPTH-UHFFFAOYSA-N	324.344	1.941	50	20	DDGD	
CC(=O)NCCCNC(=O)NNc1ccc(OC(F)F)cc1	170681814	ZHSNECVRRHGZAB-UHFFFAOYSA-N	316.308	1.440	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2cc(F)c(F)cc2F)cn1	115719890	HANGGTGXGASWLA-UHFFFAOYSA-N	310.235	1.355	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(F)c(F)cc1F	124679708	RGVUEIHQGWQXBR-LURJTMIESA-N	317.267	1.236	50	20	DDGD	
Cc1noc(Cl)c1CCC(=O)NNC(=O)C1CCOCC1	1262030991	CYTLKPKNJIEKNW-UHFFFAOYSA-N	315.757	1.143	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)c1c(C)nc2ccccn12	66309066	HAJYTQMCWVNDRL-GFCCVEGCSA-N	316.361	1.385	50	20	DDGD	
C[C@H](NS(=O)(=O)CBr)c1cccc([N+](=O)[O-])c1	127321451	AWMJTQSKMLONHZ-ZETCQYMHSA-N	323.168	1.928	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2c(C)cccc2C)n1	124847435	SMNBLBRWUIGZOQ-UHFFFAOYSA-N	301.350	1.928	50	20	DDGD	
CN(NC(=O)CCc1ccc(Br)cc1)C(N)=O	181071688	RJTVJAINAFHUNA-UHFFFAOYSA-N	300.156	1.423	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2)c(F)c1	181984030	SAGPDBLOKREBEI-UHFFFAOYSA-N	315.304	1.534	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	123555086	DZZPVWPOPFAXCD-FXAINCCUSA-N	323.784	1.714	50	20	DDGD	
CC#CCCCC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	184961863	VVRBAXMKCRBISJ-LBPRGKRZSA-N	306.337	1.934	50	20	DDGD	
NC(=O)N1CCC[C@H](C(=O)NNc2ccc(Cl)c(F)c2)C1	130456355	IGYJAPSMZTUHGI-QMMMGPOBSA-N	314.748	1.713	50	20	DDGD	
C[C@H]1CCCN(CCNC(=O)NNC(=O)c2ccccc2O)C1	46381616	BCXICNOGZGYVCU-LBPRGKRZSA-N	320.393	1.068	50	20	DDGD	
CCCCCNC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	79027593	URAQGEDTXATMBF-UHFFFAOYSA-N	320.393	1.763	50	20	DDGD	
Cc1cccc(F)c1S(=O)(=O)NNC(=O)c1ccccc1O	186911268	NUQAUXLOOIAQHA-UHFFFAOYSA-N	324.333	1.463	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C[C@@H]2CCCO2)c1	46763991	ZKZSWNHBUVMYSJ-ZDUSSCGKSA-N	306.362	1.399	50	20	DDGD	
CCCCC1CCC(C(=O)NNC(=O)C(=O)N2CCCC2)CC1	132230652	KMCASCYNWVYQCZ-UHFFFAOYSA-N	323.437	1.753	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccnc(Br)c1	134600418	JVBGBUABYAWTTM-UHFFFAOYSA-N	300.156	1.651	50	20	DDGD	
CCCCCNC(=O)NNC(=O)c1c(C)nc2ccccn12	43629829	YSFNQSQMNOGQEL-UHFFFAOYSA-N	303.366	1.777	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H]1CN(Cc2ccccc2)CCO1	131558089	RKKJSXDSCAXNOW-CQSZACIVSA-N	319.405	1.081	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl	190052373	RINLNQYNFSRNNT-YUMQZZPRSA-N	314.744	1.501	50	20	DDGD	
Cc1ncc(/C=C/C(=O)NNC(=O)Cc2ccncc2)s1	81025539	UABQIGAZBZZENW-NSCUHMNNSA-N	302.359	1.250	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cc(C(N)=O)cs2)cc1	97029513	SNXZYBGQMARUGB-UHFFFAOYSA-N	317.370	1.484	50	20	DDGD	
C[C@@H]1CCCN([C@H](C)CNC(=O)NNC(=O)OC(C)(C)C)C1	249531831	ZTTBEERYHBWTLV-VXGBXAGGSA-N	314.430	1.846	50	20	DDGD	
C[C@@H](Sc1nncn1C)C(=O)NNc1ccc([N+](=O)[O-])cc1	269639746	XBOKLHDQKDQOCS-MRVPVSSYSA-N	322.350	1.347	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCSC(C)(C)C1	267603649	NKXUNXPTWQLMAW-UHFFFAOYSA-N	323.418	1.877	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)c2cccn2C)c1	263764101	DECLHCREFAGLRQ-UHFFFAOYSA-N	301.346	1.564	50	20	DDGD	
C[C@@H](Sc1nncn1C)C(=O)NNc1cccc([N+](=O)[O-])c1	269595583	FWGPKFOUTLLSKV-MRVPVSSYSA-N	322.350	1.347	50	20	DDGD	
O=C(CC(=O)NNc1c(F)cccc1F)NCC(F)(F)F	272456719	WYEJGHJFXZMORC-UHFFFAOYSA-N	311.210	1.477	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1c(O)nc2ccccc2c1C	272717232	ZENIDXKWLKANSB-UHFFFAOYSA-N	302.334	1.555	50	20	DDGD	
C[C@H](C#N)Oc1ccccc1NC(=O)NNC(=O)C1CCC1	272887303	XVKAGUSNEOAKKY-SNVBAGLBSA-N	302.334	1.930	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1nc(-c2ccco2)oc1C	271254563	GJKRVAXKDRYMKB-UHFFFAOYSA-N	306.322	1.478	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc2ccccc2c(OC)n1	271341171	JPBFKNIOPMFIFJ-UHFFFAOYSA-N	302.334	1.550	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)nc1	276032079	WGGQTHDBONSFJD-GWCFXTLKSA-N	305.382	1.199	50	20	DDGD	
CCOC(=O)c1ccc(NC(=O)NNC(=O)CC2CC2)cc1	273309488	HKQYVQPIZDXHMD-UHFFFAOYSA-N	305.334	1.816	50	20	DDGD	
CC(C)Cn1cc(C(=O)NNC(=O)c2ccccc2F)cn1	272924826	MGRTXCGZNFMLSY-UHFFFAOYSA-N	304.325	1.753	50	20	DDGD	
O=C(NNC(=O)[C@H](O)CCc1ccccc1)NC1CCCCC1	270913945	QPQQYKZQNDVVDD-OAHLLOKOSA-N	319.405	1.643	50	20	DDGD	
CCN(CC)[C@@H]1CCN(C(=O)NNC(=O)c2cccc(C)n2)C1	279603397	DVFQZENCCLBQOM-CYBMUJFWSA-N	319.409	1.161	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCc2ccccc2[C@H]1CO	275760114	KJIXAVGAKDVZHB-CQSZACIVSA-N	317.838	1.927	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCn2cnnc2C1	274535211	ZEUPZBXHVDFINY-SECBINFHSA-N	301.188	1.430	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)NNc1ncccn1	277107910	MUTGCIDSEBZUMC-NXEZZACHSA-N	309.370	1.469	50	20	DDGD	
CSSCCNC(=O)N1CCOC[C@@H]1c1noc(C)n1	376952973	MFKAIHBMRGTZCW-SECBINFHSA-N	318.424	1.472	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CCCCNC(N)=O	288631277	KFPRUOOHQZNQNQ-UHFFFAOYSA-N	309.326	1.185	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)C2CCN(C3CC3)CC2)n1	282962029	ODILMIZCEXAJNS-UHFFFAOYSA-N	309.801	1.756	50	20	DDGD	
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NNc1ccc(OC)cn1	281814425	OCRNUYLLHRUQFS-BXUZGUMPSA-N	306.366	1.698	50	20	DDGD	
CC1(C)CC[C@@H]1NC(=O)NNC(=O)COc1ccccc1C#N	288046600	OUNBCMIUVKDCLH-ZDUSSCGKSA-N	316.361	1.456	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=S)NCCSC)o1	294704708	WHBLYIZKTHRLPM-UHFFFAOYSA-N	302.425	1.017	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@H](O)CCSC	808027937	APFITLYRBBTDGV-SNVBAGLBSA-N	316.354	1.169	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1nn(-c2cccc(F)c2)cc1O	294001838	ANWOJFCTVSLAOE-UHFFFAOYSA-N	318.308	1.278	50	20	DDGD	
CC(CCCOc1ccc(Cl)c(C)c1)=NNC(=O)C(N)=O	800805037	IICASRMUZKRAHN-UHFFFAOYSA-N	311.769	1.785	50	20	DDGD	
COC(=O)NNC(=O)Nc1cccc(N2CCCCC2=O)c1	298472799	IMZKOBVFORPSJX-UHFFFAOYSA-N	306.322	1.596	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H](F)C(F)(F)F)nc1C	290577273	YHJFQOKFNVKIEX-SSDOTTSWSA-N	324.234	1.305	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)NNc2ccc(-n3ccnc3)nn2)C1	805318793	BJPUZFDCPPYCQA-MNOVXSKESA-N	301.354	1.477	50	20	DDGD	
CSSCCNC(=O)[C@@H](C)n1nnnc1C(C)(C)C	803481098	ZJCGKAXQKMUDTR-MRVPVSSYSA-N	303.457	1.659	50	20	DDGD	
CCOc1ccc(OCCCC(=O)NNc2nnc[nH]2)cc1	293826303	GEZXCNPFXSGFIX-UHFFFAOYSA-N	305.338	1.506	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H]2COc3ccccc3C2)n1	298327665	YMOPUTAGEFCYNA-LLVKDONJSA-N	300.318	1.180	50	20	DDGD	
Cn1nncc1NNC(=O)c1cc(C(F)(F)F)cc(Cl)n1	816771605	SPQIQCRMAYVBGH-UHFFFAOYSA-N	320.662	1.639	50	20	DDGD	
COCCc1nc(COC(=O)/C(C#N)=C\c2ccccc2)no1	811199043	VQCKPZJXFUHUNQ-LCYFTJDESA-N	313.313	1.909	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1cccc(-n2cnnc2)c1	814819700	QAQLEIJVEVZWLJ-UHFFFAOYSA-N	316.365	1.327	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1cccnc1	817052785	PQANNPUELMMUIG-UHFFFAOYSA-N	320.374	1.089	50	20	DDGD	
COC(=O)Cc1occ(C)c1C(=O)NNc1ccnc(F)c1	810985063	WIGLNFHLCLMYRO-UHFFFAOYSA-N	307.281	1.595	50	20	DDGD	
COc1cc(C(C)=NNC(=O)[C@@H]2COc3ccccc3O2)on1	814701237	RECYMKZWGCESJZ-ZDUSSCGKSA-N	317.301	1.363	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2cscn2)cn1	729691897	UDJMWEXQLVXNOU-UHFFFAOYSA-N	309.376	1.178	50	20	DDGD	
C=CCOCC(=O)NNC(=O)c1ccc(OCC)c(OC)c1	729299647	SDMXXDVONIORCK-UHFFFAOYSA-N	308.334	1.058	50	20	DDGD	
COc1cc(C(C)=NNC(=O)COc2ccc(F)cc2)on1	814748100	CGYWVYNDQIVOSQ-UHFFFAOYSA-N	307.281	1.742	50	20	DDGD	
Cc1nc(CC(C)C)sc1C(=O)NNC(=O)c1ccnnc1	817694310	XXXGTQUUIXUJRM-UHFFFAOYSA-N	319.390	1.515	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNc1nc(-c2cccnc2)no1	728075925	RYAJCWSXBLIUHQ-UHFFFAOYSA-N	314.305	1.422	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc(C#N)c(F)c2)n[nH]1	810254476	NMJPXKVDCCVPPB-UHFFFAOYSA-N	302.269	1.195	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H](C)CN(C)C(C)C)c1	812509435	GFAXLLTYMZYINK-LBPRGKRZSA-N	322.409	1.828	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2cccc(Cl)n2)[C@@H]1OC	814321928	ULYKVTRBXHNATA-SBMIAAHKSA-N	314.773	1.554	50	20	DDGD	
COC(=O)C[C@H]1CCC(=NNC(=O)N=c2cc[nH]cc2)[C@@H]1C	815002111	MTESTPKDZGYSGL-GHMZBOCLSA-N	304.350	1.590	50	20	DDGD	
COCCN1[C@H]2CC[C@H]1CC(=NNC(=O)c1ccc(O)cc1)C2	814691711	NMABDVDVCZSUCZ-GJZGRUSLSA-N	317.389	1.751	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)nc2)cn1	728859533	POUKWZYXTQKNFU-UHFFFAOYSA-N	300.705	1.186	50	20	DDGD	
O=S(=O)(CBr)N[C@H](CCO)C1CCCCC1	725043810	SZOYJZQXNRRNEU-SNVBAGLBSA-N	314.245	1.590	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)CC2(O)CCC2)c1	822194743	OZCKUXOYVWJSKB-UHFFFAOYSA-N	306.362	1.135	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(Br)cn1CC	726770324	QOSPVMGBXILBJZ-UHFFFAOYSA-N	303.160	1.234	50	20	DDGD	
COC(=O)NNC(=O)c1cccc(COc2ccc(C)nc2)c1	495447092	CLOLKVKPQKYYRC-UHFFFAOYSA-N	315.329	1.970	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)C[C@@H]1CC[C@H]2C[C@@H]12	822205222	OYRJLNOGXPCZEU-COPLHBTASA-N	306.337	1.788	50	20	DDGD	
C#C[C@@H](C)N(C)CC(=O)NNC(=O)c1cc(Cl)ccc1OC	491701762	FPVIBEANAMAJEP-SNVBAGLBSA-N	323.780	1.063	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)/C=C/c2ccc[nH]2)c1O	493194098	YPQLLNGYJAHXSS-BQYQJAHWSA-N	301.302	1.203	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C2(CN(C)C)CC2)cc1	823010101	GCJDZGWYOXMWES-UHFFFAOYSA-N	319.405	1.117	50	20	DDGD	
O=C(NNc1ccccc1Cl)c1ccc(-c2nn[nH]n2)nc1	826449583	ZSFYYQLANUUVBY-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNC(=O)CCc1ccc(OC)cc1	491723416	BIXSITMJWZPYSW-AWEZNQCLSA-N	317.389	1.760	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2CCN(C(C)(C)C)C2=O)n1	827075723	FTRDYJQMMIOGQB-LLVKDONJSA-N	320.397	1.119	50	20	DDGD	
CON=Cc1ccc(C(=O)NNC(=S)NC(C)(C)C)cc1	726139242	NSEWMFHEGUOPPF-UHFFFAOYSA-N	308.407	1.574	50	20	DDGD	
C#CCCN1CCC(NC(=O)/C(C#N)=C\c2ccc(O)cc2)CC1	491137466	XRDHZPVFKMBBMX-SSZFMOIBSA-N	323.396	1.903	50	20	DDGD	
CC(C)COCCC(=O)NNc1cccc(-c2nn[nH]n2)c1	824271404	NFKACCZLIHVSQU-UHFFFAOYSA-N	304.354	1.373	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C)CCCOCc1ccccc1	829454780	XYFSQZQKEZQJKZ-UHFFFAOYSA-N	321.421	1.329	50	20	DDGD	
CCOC(=O)NNC(=O)CCCOc1ccc(C(C)=O)cc1	490619551	KDOZAJOIVONGDC-UHFFFAOYSA-N	308.334	1.826	50	20	DDGD	
CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)/C(C#N)=C\c4cnn(C)c4)[C@@H]1[C@H]3C2	490969751	FOLKYHKGGJHRDZ-DDGFKNHNSA-N	312.373	1.209	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Nc2cc(C)n(C)n2)c1C	822071754	ZSLXRBADMQYHNA-UHFFFAOYSA-N	317.349	1.972	50	20	DDGD	
CC1(C)Cc2cc(C=NNC(=O)N3CCOCC3)ccc2O1	729144877	BINVMIMFFGRVBA-UHFFFAOYSA-N	303.362	1.776	50	20	DDGD	
CCCN1CC[C@@H](NC(=O)NNC(=O)c2ccc(Cl)cc2)C1	823059428	YTPVVNUSSWVJCR-CYBMUJFWSA-N	324.812	1.768	50	20	DDGD	
C[C@H](NCc1cccc(B(O)O)c1)c1nc2c(s1)CCC2	585045872	IWHBZCIKIRGOPE-JTQLQIEISA-N	302.208	1.162	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H]1C[C@H](c2ccccc2)C1	826693541	WJAPMEULFDFHFL-CYUUQNCZSA-N	317.389	1.688	50	20	DDGD	
CSSCCNC(=O)N1CCC(OC(=O)N(C)C)CC1	495879279	UTWGVKHICUTJFP-UHFFFAOYSA-N	321.468	1.870	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CC(C)C)N(C)C(=O)OC(C)(C)C	820709235	ACVFCODOUXOGQN-LLVKDONJSA-N	315.414	1.825	50	20	DDGD	
CC(C)c1nncn1CCNC(=O)[C@@]1(C)C[C@H]1Br	906745127	GOBKCMUNPUYDSQ-SKDRFNHKSA-N	315.215	1.691	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CCCC(=O)NC(C)C	731835339	ZXTLVOSJOYPFMO-UHFFFAOYSA-N	321.377	1.151	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@]1(C)CC(c2ccccc2)=NO1	823558407	HWASKIQPTZDQLT-AWEZNQCLSA-N	306.391	1.037	50	20	DDGD	
Cc1ccc(OCC(=O)NN=C2CCCS(=O)(=O)C2)cc1C	731924248	CFPHBKMADYJEFO-UHFFFAOYSA-N	324.402	1.363	50	20	DDGD	
Cc1ccc(NCC(=O)NN=C2CCCS(=O)(=O)C2)c(C)c1	731924583	GBVGIELIDUGUJW-UHFFFAOYSA-N	323.418	1.396	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)c1	905098597	NBGZDKITGIISOJ-LERXQTSPSA-N	317.414	1.846	50	20	DDGD	
O=C(NN[C@@H](C(=O)O)c1ccccc1)[C@@H]1Cc2ccccc2O1	738506961	PTOLVJOZFAZTIL-LSDHHAIUSA-N	312.325	1.437	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C	491528825	VZMWYLJLPFNLNG-WDEREUQCSA-N	313.398	1.483	50	20	DDGD	
Cc1noc(CCC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)n1	738948314	SHWHEWXULZSCHW-UHFFFAOYSA-N	321.245	1.523	50	20	DDGD	
Cc1noc(C2CN(C(=O)/C(C#N)=C/c3ccc(O)cc3)C2)n1	491005106	AHMZQMDHUKZKOO-WUXMJOGZSA-N	310.313	1.617	50	20	DDGD	
Cc1nc(SCc2ccccc2)sc1C(=O)NCB(O)O	585063233	UOPMSQFFAOCPOX-UHFFFAOYSA-N	322.220	1.486	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCc1cccc(C(=O)O)c1	833421817	FYTYKNWIORTWFY-UHFFFAOYSA-N	307.350	1.304	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCCC2(CCCCC2)CC1	584979787	FUUXNFOWZVHULR-UHFFFAOYSA-N	315.222	1.943	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CC1CCCC1)S(=O)(=O)C1CC1	839616762	VXWJOUHWKIENRB-UHFFFAOYSA-N	316.423	1.070	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)cn1	735961330	PPELDVGTQPANDI-UHFFFAOYSA-N	324.348	1.408	50	20	DDGD	
CC(C)OCc1ccccc1CNCc1ccc(B(O)O)cc1	585019773	RLLIDCWJMHGPPJ-UHFFFAOYSA-N	313.206	1.581	50	20	DDGD	
C[C@H]1C[C@H](NCc2ccc(B(O)O)cc2)CN1Cc1ccccc1	585028439	KFCFTRHJKBXERL-KXBFYZLASA-N	324.233	1.119	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1CCC[C@H]1Cc1ccccn1	585047180	JTSVIUGFKPWWPI-KBXCAEBGSA-N	310.206	1.262	50	20	DDGD	
C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1C(=O)c1ccc(B(O)O)cc1	584990935	OTSTVSQRKLGUDT-QWQRMKEZSA-N	323.201	1.773	50	20	DDGD	
O=C(NN=Cc1ccoc1C(=O)O)c1cc([N+](=O)[O-])ccc1O	739453313	FNONNQWHPNAMNT-UHFFFAOYSA-N	319.229	1.356	50	20	DDGD	
CCC(C)(C)OCC(=O)NNc1cccc(S(C)(=O)=O)c1	837515080	QRRMPBQZSTVVPC-UHFFFAOYSA-N	314.407	1.738	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1sccc1-n1ccnn1	837366761	DGZALQJVBBDRQC-UHFFFAOYSA-N	308.367	1.073	50	20	DDGD	
C=CCN(CC=C)[C@H](CNC(=O)NNC(=O)C1CCC1)C(C)C	732445106	DHLQPEHZXATLQZ-OAHLLOKOSA-N	322.453	1.816	50	20	DDGD	
Cc1ncsc1C(=O)NN=Cc1cccc(-c2nn[nH]n2)c1	737498540	GWDNGOPHTRPIKB-UHFFFAOYSA-N	313.346	1.396	50	20	DDGD	
NCCCSCCC(=O)NNc1ncnc2ccsc12	912381730	NNLNXGQTMGPXKW-UHFFFAOYSA-N	311.436	1.607	50	20	DDGD	
Cc1nc2ccccc2nc1C=NNC(=O)CN1CCCC1=O	834931520	JZAANKZAAZEEQB-UHFFFAOYSA-N	311.345	1.011	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSc1ncc2ccccn12	742448702	HJMPMFONGFXURL-UHFFFAOYSA-N	306.391	1.620	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNc1ccncn1)c1cccnc1	836342975	ZSIGKEDFYONXBT-ZDUSSCGKSA-N	300.366	1.938	50	20	DDGD	
CCc1noc(CCCC(=O)NNc2ncc(F)cc2F)n1	837207898	VIRQCMUEMSHMRO-UHFFFAOYSA-N	311.292	1.771	50	20	DDGD	
Cc1cccc(NNC(=O)Cn2nc(-c3ccccc3)oc2=O)c1	849607125	GRTHBRKGXTUPCY-UHFFFAOYSA-N	324.340	1.955	50	20	DDGD	
O=C1NC(=O)C2(CCC(C(=O)NNc3cccc(F)c3)CC2)N1	748089809	SQVYPELAUWFKIY-UHFFFAOYSA-N	320.324	1.037	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H]2COc3ccccc3O2)nn1C	841605288	PQGGBTKVLYVFAL-CQSZACIVSA-N	300.318	1.019	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCC[S@@](C)=O	746242980	PLOSMRPURTXSBH-LJQANCHMSA-N	305.831	1.237	50	20	DDGD	
CCC(CC)(CO)C(=O)NNC(=O)COc1ccccc1OC	847287411	UCEHIYIBSMLVPW-UHFFFAOYSA-N	324.377	1.020	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2nc(-c3ccccc3)n[nH]2)nn1	741416632	SERATQCIVXPJCH-UHFFFAOYSA-N	324.348	1.396	50	20	DDGD	
Cc1c(NNC(=O)[C@H](C)Cc2cnc[nH]2)cccc1[N+](=O)[O-]	847601516	WAMQIULHYKWISG-SECBINFHSA-N	303.322	1.948	50	20	DDGD	
COc1cc(Cl)ccc1S(=O)(=O)NNC(=O)C(C)(C)C	917743107	FWMPOLCMLHTJQH-UHFFFAOYSA-N	320.798	1.704	50	20	DDGD	
Cc1cnc(Cl)c(S(=O)(=O)NCCCSC#N)c1	917006508	CJKLMEFILIIJHU-UHFFFAOYSA-N	305.812	1.926	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1cccc(Cl)c1	843645029	QECVUNFQRYSDRS-GWCFXTLKSA-N	310.781	1.845	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2C[C@H](C)[C@H](C)[C@H]2C)n1	842167842	XEKDYQCECOHGSO-ZMLRMANQSA-N	324.450	1.118	50	20	DDGD	
NS(=O)(=O)C1(C(=O)NNc2cccc(Cl)c2Cl)CC1	846257793	ZNECDYLHRSFDHE-UHFFFAOYSA-N	324.189	1.258	50	20	DDGD	
CSc1nc(C)c(CCC(=O)NN(C)C[C@@H](C)O)c(C)n1	910176843	FDDPIFNNEOMSPN-SECBINFHSA-N	312.439	1.092	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNc1ncc(Br)cn1	848322440	BTILJGNGQQRNDO-SECBINFHSA-N	317.187	1.743	50	20	DDGD	
COc1cc(CCC(=O)NNC(=O)C2CCCC2)cc(OC)c1	914843762	YEOMVPDTFSZNDG-UHFFFAOYSA-N	320.389	1.974	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1ccc(N2CCOCC2)cc1	746510451	TXMKLEXLKVBUEZ-FYWRMAATSA-N	315.373	1.583	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)/C=C(\C)COC)o1	845285211	HKIOTYFHHLOLLI-FMIVXFBMSA-N	323.393	1.475	50	20	DDGD	
CCn1nc(C(=O)NN=Cc2cccn2C)c2ccccc2c1=O	916315341	NPIGRAVHQWQDIT-UHFFFAOYSA-N	323.356	1.519	50	20	DDGD	
CC(=NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1cc(C(=O)O)cs1	844610131	ZOMHPFHEPCWFHU-GMTAPVOTSA-N	308.359	1.854	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H](C)c2ccco2)c1O	743316465	BDKJCEHWZNYAMO-VIFPVBQESA-N	304.302	1.559	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H]1CCN(Cc2ccccc2)C1=O	929791159	QCRDBOTVKHYNCO-CQSZACIVSA-N	317.389	1.229	50	20	DDGD	
CC(C)c1ccc2c(c1)C(=NNC(=O)C(=O)NC1CC1)CCO2	920373235	VXGGHJFHVXWKJI-UHFFFAOYSA-N	315.373	1.691	50	20	DDGD	
Cc1c(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])nnn1C	741670917	ZEDVRSIOYOEZKO-UHFFFAOYSA-N	310.701	1.442	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843654728	GOTCGZVZKYBWIJ-DGAVXFQQSA-N	312.410	1.544	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1cc(F)ccc1OC(F)F	841146377	PGFARJQFBAYKNF-UHFFFAOYSA-N	320.271	1.319	50	20	DDGD	
CCc1cccc(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1	844576735	CWGMKTWCYBRSMN-ZDUSSCGKSA-N	309.391	1.069	50	20	DDGD	
N#CC1(CC(=O)NNC(=O)NCC(F)(F)F)CCCCC1	847116842	RRWWYSXOJGBLSR-UHFFFAOYSA-N	306.288	1.743	50	20	DDGD	
C[C@H]1CC(=NNC(=O)COc2ccc(F)cc2)CN1C1CC1	753954772	HSXJVNIEGPHOGW-NSHDSACASA-N	305.353	1.933	50	20	DDGD	
CCOC(=O)NC1CCC(=NNC(=O)c2cnccn2)CC1	853286110	BLYUUQNCYVUYKE-UHFFFAOYSA-N	305.338	1.251	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)COCc2ccccc2)CCCO1	755172513	BPZNSYGIADAGTQ-INIZCTEOSA-N	321.377	1.103	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1c(OC)cccc1OC	755759558	FFBWCZUJEIEQDC-LLVKDONJSA-N	310.350	1.205	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)c1cn[nH]c1	757727608	IJHUUBJDAFKBFK-MRVPVSSYSA-N	318.293	1.023	50	20	DDGD	
O=C(COC(=O)[C@@]12CCC[C@@H]1C2)NNC(=O)c1cccs1	924432087	MJAANLYFAWCGSR-YMTOWFKASA-N	308.359	1.243	50	20	DDGD	
CSCCC=NNC(=O)c1cccc(S(C)(=O)=O)c1	755642536	BZMPKYGUZBNTEJ-UHFFFAOYSA-N	300.405	1.559	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@@H](O)CCc1ccccc1)C1CC1	855099440	ZDZBHYVSRTUHKM-RISCZKNCSA-N	321.446	1.274	50	20	DDGD	
COC(=O)c1occc1C=NNC(=O)Cc1ccccc1OC	920375643	BQCWFFGADILSFG-UHFFFAOYSA-N	316.313	1.768	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccsc1C	854286298	PFZYHXRWNJGQNJ-UHFFFAOYSA-N	301.437	1.544	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1ccc(C2CC2)nn1	757699497	GVMJZODJSMWNHC-UHFFFAOYSA-N	300.322	1.159	50	20	DDGD	
O=C(NC[C@@H]1CCN(C2CC2)C1)NNc1ccc(Cl)cn1	852183076	ZVBXWDCWRNTKRX-JTQLQIEISA-N	309.801	1.845	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C	856379449	FJYFHPRONMNTCA-NIANNCQZSA-N	311.382	1.802	50	20	DDGD	
CS(=O)(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc2c(c1)OCO2	920243509	JUORKBXEHFINJR-WCIBSUBMSA-N	317.326	1.714	50	20	DDGD	
Cc1cccc(NNC(=O)c2cncc(N3CCOCC3)c2)c1	757783512	QHOIPFXOYBWEMK-UHFFFAOYSA-N	312.373	1.984	50	20	DDGD	
Cn1cncc1CNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	752948767	BKISJQSEMVBWNN-XHVZSJERSA-N	312.211	1.990	50	20	DDGD	
Cc1cnc(CCNC(=O)NNc2ncc(Cl)cn2)cn1	856914519	PRBJYHPLTHHATB-UHFFFAOYSA-N	307.745	1.097	50	20	DDGD	
CC(C)(C)[C@H](NC(=O)NC[C@]1(C)C[C@H]1Br)C(N)=O	856955051	VEWDADPRSOELOX-RWYTXXIDSA-N	320.231	1.359	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cccn(CC(C)C)c2=O)n1	929714411	ADDUDEHILSYHDN-UHFFFAOYSA-N	315.377	1.668	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CC(F)(F)F)ccc1C(N)=O	756399682	FBBGIDWQHTZWFG-UHFFFAOYSA-N	318.255	1.199	50	20	DDGD	
O=C(NCc1cnccc1C(F)(F)F)NNC(=O)C1CCC1	852720197	YULFIPOQEAXUJJ-UHFFFAOYSA-N	316.283	1.731	50	20	DDGD	
CO[C@@H]1COCC[C@H]1CNC(=O)NNc1ccc(C)c(F)c1	854106630	ZUQUHNKSNKLLOS-SMDDNHRTSA-N	311.357	1.812	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c1	858304481	BULSGEJTOWIROV-VIFPVBQESA-N	321.406	1.663	50	20	DDGD	
CSc1ccc(NC(=O)NNC(=O)c2c[nH]nc2C)cc1	755557530	LRZKJOYSIQNLNQ-UHFFFAOYSA-N	305.363	1.907	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1ccnc(N2CCCC2)n1	754485751	XNXBVIUIBLQVFW-UHFFFAOYSA-N	318.768	1.882	50	20	DDGD	
O=C(Cn1ccc(C(F)(F)F)n1)NNc1ncc(F)cc1F	857532868	YKOHDNMTYHVTFQ-UHFFFAOYSA-N	321.209	1.718	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@H]1c1ccsc1)c1cn[nH]c1	858703816	GIEKOZFSHBUBRY-NSHDSACASA-N	305.363	1.663	50	20	DDGD	
O=C(NNc1ncccc1F)NC1(C(F)(F)F)CCOCC1	932300622	DXLLJTATVKXQON-UHFFFAOYSA-N	322.262	1.958	50	20	DDGD	
COC(=O)[C@H]1CCN(S(=O)(=O)CC(C)(C)CCl)[C@H]1C	867168064	ZWROODYZEDGKLO-UWVGGRQHSA-N	311.831	1.465	50	20	DDGD	
COC(=O)c1cnn(CC(=O)NNc2cc(C)cc(C)c2)c1	860317358	ZMMFCCBHSUFGIC-UHFFFAOYSA-N	302.334	1.430	50	20	DDGD	
COCC(=O)NN=Cc1ccc(OC(=O)C2CC2)c(OC)c1	761818912	UBURBQHURRDQOI-UHFFFAOYSA-N	306.318	1.107	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2cc(Cl)cc3c2OCC3)N1	863152936	JDOSUILRXUWLGR-NSHDSACASA-N	307.737	1.004	50	20	DDGD	
CCOc1cccc(/C=C/C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	862094914	FPXSAFAFIQXVMD-HBCWJJAPSA-N	318.373	1.671	50	20	DDGD	
Cc1onc(-c2ccccn2)c1C(=O)NNc1ncc(F)cn1	760912409	WQOSSYGQSJWAHP-UHFFFAOYSA-N	314.280	1.731	50	20	DDGD	
COc1ccc(C)nc1NC(=O)NNC(=O)Cc1cccnc1	765292552	RSANACIBBMOMQP-UHFFFAOYSA-N	315.333	1.189	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2cc([N+](=O)[O-])c[nH]2)c1	768391427	BHZQCLOJGKOVRR-UHFFFAOYSA-N	306.669	1.600	50	20	DDGD	
COC(=O)[C@@H](C)c1cccc(NCc2cccc(B(O)O)c2)c1	864015352	MEIXBFMVQYIFAX-LBPRGKRZSA-N	313.162	1.255	50	20	DDGD	
C[C@](NC(=O)NNC(=O)[C@@H]1CCCCO1)(C1CC1)C(F)(F)F	933573836	VVHXLFKWXSCLJA-CABZTGNLSA-N	323.315	1.617	50	20	DDGD	
CCSc1cc(C(=O)NNC(=O)Cc2cc(C)[nH]n2)ccn1	869012602	XYLZIDUEQVKNCB-UHFFFAOYSA-N	319.390	1.229	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)c1cn(C2CC2)nn1	860907899	OFRXQMUPGHJVGJ-UHFFFAOYSA-N	323.154	1.527	50	20	DDGD	
CCn1cnnc1CCNC(=O)[C@H](Br)C(C)(C)C	767992655	JPSMNXQCHUMWMZ-JTQLQIEISA-N	317.231	1.766	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)C2CSC2)cc1	864456577	JLQOHDOLXYPAAM-UHFFFAOYSA-N	311.432	1.766	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@@H]1CCN1C1CCCC1	862467375	VSTVIUOCWPSALK-INIZCTEOSA-N	315.417	1.784	50	20	DDGD	
O=C(CC(F)(F)C(F)(F)F)NNC(=O)OCC(F)(F)F	869281802	LUQBMMJGLIXYID-UHFFFAOYSA-N	318.120	1.894	50	20	DDGD	
CC(C)[C@@H](CC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1	862456080	UWGGEYBVIDRURK-KGLIPLIRSA-N	317.389	1.242	50	20	DDGD	
NC(=O)CSc1ccccc1NC(=O)NNc1cnccn1	769953001	JBNFTJKCBDBPJD-UHFFFAOYSA-N	318.362	1.203	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@H]2CCSC2)cc1	762439839	DEDUROWLEKEMHR-JTQLQIEISA-N	309.391	1.008	50	20	DDGD	
COC/C=C/C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874951708	RMPFPOCHWNJPOM-SNAWJCMRSA-N	308.407	1.273	50	20	DDGD	
Cc1cc(NNC(=O)c2c(-c3ccccn3)noc2C)ncn1	768065081	VDWAIVQJPNQLQG-UHFFFAOYSA-N	310.317	1.900	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2c(C)cccc2F)ncn1	770816052	XFXRBSNMNKHTHW-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
CC[C@H](NNC(=O)c1ncccn1)C(=O)Nc1ccc(C)cc1	871890553	YSGNEASKFHLECM-ZDUSSCGKSA-N	313.361	1.437	50	20	DDGD	
CCOc1ccc(NCc2cccc(B(O)O)c2)cc1OCC	876820969	YARKVUBMWXAVKV-UHFFFAOYSA-N	315.178	1.776	50	20	DDGD	
O=C(NC[C@@H]1COCCN1)[C@@]12CC[C@@H](C[C@H]1Br)C2	877039703	OBCIKKGJZZEPHI-SBFPOUOMSA-N	317.227	1.045	50	20	DDGD	
CCc1cccc2c1OCC[C@H]2NC(=O)NN(C)C(=O)OC	875205269	DZXNOJUBCOIKDA-GFCCVEGCSA-N	307.350	1.985	50	20	DDGD	
CCCc1cc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)n[nH]1	771967354	GWMVGQXMNHRJNY-JTQLQIEISA-N	324.381	1.101	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1ccc(OC(C)(C)C)nc1	779408263	SGKNZWKVVVPNCQ-UHFFFAOYSA-N	324.381	1.126	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)NC(=O)NNc1cccc(F)c1Cl	875284969	MCYUYTISORXFMF-ZETCQYMHSA-N	323.777	1.538	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1CCc2ccc(OC)cc21	887147979	JUSKVOLEIRHFIN-AWEZNQCLSA-N	300.358	1.676	50	20	DDGD	
CCCc1cccc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)c1	774363562	KQRZQCYFOQZKOF-AWEZNQCLSA-N	308.403	1.524	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2cnc([C@@H](C)O)s2)c(O)c1	773055775	UTWARCFBLNXMBZ-SECBINFHSA-N	305.359	1.974	50	20	DDGD	
COC[C@H](C)C(C)=NNC(=O)c1cccc(S(C)(=O)=O)c1	777882565	BAEPLDPWPRHWNI-JTQLQIEISA-N	312.391	1.478	50	20	DDGD	
CCC(CC)C(=O)N1CCN(S(=O)(=O)CCCCl)CC1	881779957	VKEZNKVNHFLDNG-UHFFFAOYSA-N	324.874	1.526	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@H](CO)c1cccc(F)c1	780794248	HZOHRIYHECIVFF-GFCCVEGCSA-N	309.790	1.798	50	20	DDGD	
CC(C)[C@H](CO)NC(=O)NNC(=O)c1ccc2ccccc2c1	1121925798	KWSLLUJHNUAFAI-HNNXBMFYSA-N	315.373	1.801	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N(CCN)CC(F)(F)F	883471374	IMBDKXJEPWETMH-UHFFFAOYSA-N	310.769	1.404	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)cc1	786687363	KSRJESLYNGIINH-ZIAGYGMSSA-N	317.389	1.302	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2cscc2C)n1	784846196	NTDGGZFHEZWZIS-UHFFFAOYSA-N	306.347	1.542	50	20	DDGD	
COC(=O)c1cc(OC(=O)[C@@H]2CO[C@H](C)C2)ccc1[N+](=O)[O-]	784111003	FGLWBSGUGCZIBG-BDAKNGLRSA-N	309.274	1.712	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)C1CCOCC1)c1ccccc1	883068463	VTSDKPIMAMXKLR-INIZCTEOSA-N	306.362	1.122	50	20	DDGD	
CN(Cc1ccccc1)C(=O)CNS(=O)(=O)CCCCl	881799412	FGZPOGPJBYPYKL-UHFFFAOYSA-N	318.826	1.193	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H](C(C)C)C2)cc1O	899944695	UCGZNJRSAOBAKR-HIFRSBDPSA-N	320.389	1.913	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C1=NO[C@@H](c2ccccc2)C1	899992160	PERHTOVQJINZEY-GFCCVEGCSA-N	320.418	1.798	50	20	DDGD	
CC(C)[C@H]1C[C@@H](CC(=O)NNC(=O)CC(F)(F)F)CCO1	781679677	KFNBOFKAHUXUMW-VHSXEESVSA-N	310.316	1.928	50	20	DDGD	
Cc1cc(C(=O)NNc2cnccn2)nn1-c1cccc(C#N)c1	780516655	UYIVIMHXGNQPHE-UHFFFAOYSA-N	319.328	1.599	50	20	DDGD	
N#CCCn1cc(C=NNC(=O)C2CC2)c(-c2ccncc2)n1	788408953	XZFTXFBMPAREHI-UHFFFAOYSA-N	308.345	1.719	50	20	DDGD	
O=C(COC(=O)/C=C\c1ccc[nH]1)NNC(=O)c1ccccc1	782332961	QJYSULRSRYPEQD-HJWRWDBZSA-N	313.313	1.032	50	20	DDGD	
CCN(C(C)=O)c1nc(/C=C(/C#N)S(=O)(=O)CC)cs1	786042784	JLUGDSONUKOKQV-WDZFZDKYSA-N	313.404	1.815	50	20	DDGD	
N#C[C@@]1(F)CCN(C(=O)NNC(=O)CCCc2ccccc2)C1	786117415	KALFIIAFPQOTFV-INIZCTEOSA-N	318.352	1.688	50	20	DDGD	
CCNC(=O)N(C)N=Cc1ccnn1-c1ccccc1OC	797402310	YMCFFDNAUFPLKE-UHFFFAOYSA-N	301.350	1.876	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)N=c2cc[nH]cc2)c1	795002355	JWXLDEFCIXANLL-UHFFFAOYSA-N	311.370	1.508	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)c2cccc(C)n2)c1	797371272	RYJSLKVKIDTVNO-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
CC(C)n1ncc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])c1N	791069255	IXMCTXSFHZMLDJ-UHFFFAOYSA-N	322.300	1.850	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnn(C2CCCC2)c1CC	798306762	UTFNECJAVGULPV-UHFFFAOYSA-N	321.450	1.856	50	20	DDGD	
CSSCCNC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1	790667343	JVTDLWUXIJGBNS-VXGBXAGGSA-N	321.512	1.796	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)c2ccccc2F)n(C)n1	790847420	NVIHVJFTNADEMQ-UHFFFAOYSA-N	305.313	1.012	50	20	DDGD	
O=S(=O)(CCCCCl)NCCCO[C@H]1CCCCO1	798223147	BAHBJYYLFNQQTD-LBPRGKRZSA-N	313.847	1.858	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C[C@H]2CCCOC2)c1	792812713	JEJNWMVONSDMCU-LLVKDONJSA-N	322.361	1.282	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@H]1Cc2ccc(F)cc21	793201681	PZSVACCHJMTKIC-ZDUSSCGKSA-N	303.293	1.589	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NCC1(C#N)CC1	797583416	VWRZUCNUBNMPFO-SNVBAGLBSA-N	320.324	1.227	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)c2ccccc2Cl)n[nH]1	1318695082	DDSFEWBTRZYKHP-UHFFFAOYSA-N	307.741	1.516	50	20	DDGD	
COc1cc(C=NNC(=O)CCN2CCC(C)CC2)ccc1O	1318440927	LHOSKIFIBBPOPO-UHFFFAOYSA-N	319.405	1.973	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)O)c(C)n1Cc1ccco1	1320938597	QRDZWVKKWFZOCX-UHFFFAOYSA-N	319.361	1.278	50	20	DDGD	
CCn1ncc2cc(C(=O)NNC(=S)NC(C)C)c(C)nc21	1327032051	WJCDVTBWJGUOOT-UHFFFAOYSA-N	320.422	1.277	50	20	DDGD	
O=C(CCc1cscn1)NNC(=O)c1n[nH]c2c1CCCC2	1321371004	WTKDCYSDAQXMFY-UHFFFAOYSA-N	319.390	1.139	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1ccnc(C)n1	1320727375	DSKWSWDNRDCMMM-HNNXBMFYSA-N	312.329	1.465	50	20	DDGD	
Cc1ccc(NNC(=O)c2ccc(C(N)=O)cn2)cc1Cl	1322201231	SIQXGVMHJKLZRG-UHFFFAOYSA-N	304.737	1.899	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN(CC(F)F)C1)NC1CCCC1	1329259845	PCKJPCYKSDAWMM-SNVBAGLBSA-N	318.368	1.237	50	20	DDGD	
O=C(O)c1ccc2c(c1)CCCC2=NNC(=O)C1CCOCC1	1336992225	CJXJBRBIJSYMHJ-UHFFFAOYSA-N	316.357	1.968	50	20	DDGD	
CCc1ccc(CN(C)C(=O)NNC(=O)c2cn[nH]c2)cc1	1331312748	NJWNPQHHVUUMBW-UHFFFAOYSA-N	301.350	1.459	50	20	DDGD	
CC[C@]1(C(=O)OC[C@@]2(C)C[C@H]2Br)CCNC1=O	1515801942	XZUOIONUFUJUKP-FXAINCCUSA-N	304.184	1.619	50	20	DDGD	
COc1cncc(C(=O)OC[C@]2(C)C[C@H]2Br)n1	1515799128	MVFBKXBGKAZHCB-KCJUWKMLSA-N	301.140	1.816	50	20	DDGD	
COc1ccc(NNC(=O)[C@]23CC[C@H](CC2=O)C3(C)C)nc1	1521364548	IKDDZRCGMROCKX-HWPZZCPQSA-N	303.362	1.929	50	20	DDGD	
CC[C@H](C)n1nccc1C(=O)NNC(=O)c1cccc(C#N)c1	1527577613	SVYXQAAPZVGWAW-NSHDSACASA-N	311.345	1.801	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cc(C)c(C(=O)O)cn2)o1	1600341266	WDBAHQYOJPNVKI-UHFFFAOYSA-N	318.289	1.456	50	20	DDGD	
O=C(CCOC1CCOCC1)NNc1ccccc1C(=O)O	1601280315	JAVQRKVNQSDWKD-UHFFFAOYSA-N	308.334	1.414	50	20	DDGD	
CC(CCC(=O)O)=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1	1609737618	DQLQOJHWLJCRBN-RAIGVLPGSA-N	313.398	1.089	50	20	DDGD	
Cn1cc(C(=O)O)c(NC(=O)NNc2ccccc2Cl)n1	1600936558	WAQPYLZNWJVHPV-UHFFFAOYSA-N	309.713	1.920	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNc1ccc(CC(=O)O)cc1	1600667188	BLMXFBRZJFCEFY-UHFFFAOYSA-N	302.334	1.339	50	20	DDGD	
N#Cc1ccc(NNC(=O)C2(C(=O)O)CC3(CCC3)C2)nc1	1608208956	SQCSTVFCIIHUDK-UHFFFAOYSA-N	300.318	1.431	50	20	DDGD	
O=C(O)CCCC(=O)NNC(=O)c1nc2ccccc2s1	1608708812	MJZIEBCARQESOX-UHFFFAOYSA-N	307.331	1.312	50	20	DDGD	
O=C(NN=C1CCc2c(F)cccc21)[C@H]1CN2CCC[C@H]2CO1	1549319897	XHKCKWKGOIUSGK-MEDUHNTESA-N	317.364	1.455	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2ccc(C(=O)O)cc2F)CCC1	1610014494	JAJVQTPKHBHCLG-UHFFFAOYSA-N	324.308	1.700	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCCCCN)c(Cl)n1	1579193624	APJLXPNQIXNAMV-UHFFFAOYSA-N	314.773	1.024	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@H](C(=O)NN)C[C@@H]1[C@@H]1CCCO1	1575173771	ZTDXCMKLTGUPST-TUAOUCFPSA-N	313.398	1.171	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@@]1(C)C[C@@H](O)CN1	1579646346	AKXNYEJNDUJHKT-MLGOLLRUSA-N	300.362	1.099	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NC[C@H]1CCO[C@H]1C(=O)O	1589699589	MOCKRSXRAKEYII-IWSPIJDZSA-N	322.199	1.402	50	20	DDGD	
C[C@@H](C(=O)O)n1cccc1C=NNC(=O)OCC(F)(F)F	1589540413	XHWCILABIJJNCB-ZETCQYMHSA-N	307.228	1.756	50	20	DDGD	
C=CCCNC(=O)/C(C#N)=C/c1cc(-c2nn[nH]n2)n(C)c1C	1588609394	ODVBXFLLVFRKNC-KPKJPENVSA-N	311.349	1.113	50	20	DDGD	
C=CC[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1	1841353845	UHTOXAMSONCOCW-NWDGAFQWSA-N	314.813	1.002	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@]2(C(=O)O)CC2(C)C)c1	1593714456	DBOLJPWWHFMTLL-INIZCTEOSA-N	319.361	1.015	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C(C)(C)C(=O)O)c(OC)c1	1593883342	ZKCZNJXJIKGGFJ-UHFFFAOYSA-N	310.306	1.036	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cccc(F)c2-c2nn[nH]n2)cc1	1592697231	RJKFCERXWDPTBN-UHFFFAOYSA-N	323.291	1.634	50	20	DDGD	
CN1CCC(NC(=O)NNc2ccc(C(=O)O)c(F)c2)CC1	1598586652	PNMYQXVAVMTVAL-UHFFFAOYSA-N	310.329	1.244	50	20	DDGD	
CC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(C)=O)C[C@@H]21	1789860853	DDBTYXXPKTWTTF-RVMXOQNASA-N	302.802	1.003	50	20	DDGD	
C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)c1ccncc1	15273683	YNZLFBMFYLVQKU-JTQLQIEISA-N	319.748	1.964	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cc(C)n[nH]1)c1ccccc1	151213382	UTPPQAZMECRETH-UHFFFAOYSA-N	301.350	1.006	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cc3c([nH]c2=O)CCCC3)cc1	155374422	RQKVXTVLZOCMGO-UHFFFAOYSA-N	308.341	1.882	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNc1ccncc1Cl	154532905	VBSKFNIODGIARJ-UHFFFAOYSA-N	300.746	1.703	50	20	DDGD	
O=C(CCC1CCCC1)NNC(=O)CNC(=O)c1ccco1	156889353	VBPZDXITBGEVQR-UHFFFAOYSA-N	307.350	1.127	50	20	DDGD	
CO[C@@H]1[C@H]2C[C@@H]3CN(S(=O)(=O)CC(C)(C)CCl)[C@@H]1[C@H]3C2	867260483	YBCPJEZBOVCACK-OBPIAQAESA-N	321.870	1.936	50	20	DDGD	
CN1CCCN(S(=O)(=O)c2ccc(CCCl)cc2)CC1	36900572	GBXDPGDEODTZPK-UHFFFAOYSA-N	316.854	1.794	50	20	DDGD	
COc1ccc(C)cc1NC(=O)NNC(=O)c1cccnc1	2141534	DPIYLLGRZFLWNO-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
CNC(=O)NNC(=O)CCc1nc(C)c(-c2ccccc2)o1	106750892	CLFWHUSKVKEOGW-UHFFFAOYSA-N	302.334	1.543	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnc2c(cnn2C(C)C)c1	54219727	WJUJIPYRKZWKPR-UHFFFAOYSA-N	318.406	1.307	50	20	DDGD	
Cc1occc1CN(C)C(=O)NNC(=O)c1cccc(C#N)c1	103517152	GNNOOEJWTSBWDB-UHFFFAOYSA-N	312.329	1.946	50	20	DDGD	
Cc1nc(-c2ccco2)ccc1C(=O)NNC(=O)[C@@H]1CCCO1	101856203	JCLAKHIQOJCZSH-AWEZNQCLSA-N	315.329	1.590	50	20	DDGD	
CCOc1ccc(CC(=O)NNC(=O)Cc2cccnc2)cc1	103425357	ABPODCMUKNVVNW-UHFFFAOYSA-N	313.357	1.413	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F	116468975	LXHPVTCHKJLKIK-IUCAKERBSA-N	311.357	1.750	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccnc(OCc2ccccc2)c1	65189293	DUPKCWSCVIKPLR-UHFFFAOYSA-N	314.345	1.625	50	20	DDGD	
O=C(CCCS(=O)(=O)N1CCCC1)NNc1ccccc1	111554176	PWNMPLFQXCZIOZ-UHFFFAOYSA-N	311.407	1.336	50	20	DDGD	
Cc1nc(CCCC(=O)NNC(=O)Cc2cccnc2)cs1	176245777	LATUDRKZCYLRAZ-UHFFFAOYSA-N	318.402	1.559	50	20	DDGD	
COCCN(C)CCNC(=O)NNc1cc(F)c(F)c(F)c1	175444051	YCQXLOTUXBANGE-UHFFFAOYSA-N	320.315	1.308	50	20	DDGD	
CCc1ccc(CCC(=O)NNC(=O)NCCCOC)cc1	65207557	BMAFGNWEBKNLRM-UHFFFAOYSA-N	307.394	1.549	50	20	DDGD	
C[C@@H](SCc1ccccc1)C(=O)NNC(=O)c1cnn(C)c1	117678565	YSYNVJJTDVXDHH-LLVKDONJSA-N	318.402	1.503	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCCOc2ccc(F)cc2)cn1	117681403	SUBWLAKZJVPIQR-UHFFFAOYSA-N	320.324	1.179	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H]1C[C@]12CCc1ccccc12	174667099	VAGBWNRMPNIAJO-YOEHRIQHSA-N	317.389	1.257	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1C(=O)NNc1nccnc1Cl	114893464	FWTUBHKFDUTGCH-UHFFFAOYSA-N	308.773	1.918	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)C(F)(F)C1(O)CCC1	305701737	DBMQLYQWQIXKLY-UHFFFAOYSA-N	312.316	1.317	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(CN(C)C)cc2)n1	174472230	DCHXFJJNQIWTPP-UHFFFAOYSA-N	315.377	1.612	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(C)nc2)c1	23398961	UBFLBWHUGRZIRE-UHFFFAOYSA-N	315.329	1.482	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1c(Cl)cccc1Cl	170814118	NFHYVFCUORFJIN-UHFFFAOYSA-N	321.160	1.417	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C	175651193	XJXPKAFRPKGHMM-BMIGLBTASA-N	323.368	1.816	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(N(C)C)cc2F)o1	120138175	XKOUPCFEUXIEPE-UHFFFAOYSA-N	305.309	1.868	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnc(-c2ncccn2)s1	124957198	CYGOWMGDCLCCFH-UHFFFAOYSA-N	320.378	1.344	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1cnn(CC(F)F)c1	186041596	BELHZQCOSFKOFX-UHFFFAOYSA-N	310.264	1.010	50	20	DDGD	
C[C@@H](CBr)CN1CCc2nn(C)c(=O)cc2C1	186354981	XFFYGMYJIOUFCP-VIFPVBQESA-N	300.200	1.169	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCC(=O)N(CC)Cc1ccccc1	122294698	CCKOFNKAVKRLLO-RVDMUPIBSA-N	315.373	1.595	50	20	DDGD	
CC(Cl)(Cl)C(=O)NNC(=O)COc1ccc(C#N)cc1	183439027	MNQSAZKKOGJEIG-UHFFFAOYSA-N	316.144	1.278	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1ccc(F)cc1O	123249225	BGAVILWYROIVNZ-UHFFFAOYSA-N	306.268	1.674	50	20	DDGD	
COc1cccc2cc(C(=O)NNC(=O)c3cccnc3)oc12	78660340	MKRBXLAYSDPTJZ-UHFFFAOYSA-N	311.297	1.911	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn(CC(C)C)c2)c(O)c1	180327284	HEIHLIJOARQSSN-UHFFFAOYSA-N	316.361	1.628	50	20	DDGD	
Cn1ncnc1NC(=O)NNc1cccc(C(F)(F)F)c1	120014050	ZMMLMBUKUBDKNL-UHFFFAOYSA-N	300.244	1.983	50	20	DDGD	
COCCC[C@H](C)C(=O)NNC(=O)CNc1ccc(C)cc1	183494357	SVEDAKHZEQJGSH-ZDUSSCGKSA-N	307.394	1.617	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@H](C(C)C)N(C)C)cc1	122646777	NGULBWPQLFHRTB-INIZCTEOSA-N	321.421	1.361	50	20	DDGD	
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccnc(F)c1	182430188	DBMHZAVWYQFDNZ-JTQLQIEISA-N	312.345	1.967	50	20	DDGD	
CC[S@](=O)c1ccccc1C(=O)NNc1cccc(OC)n1	180667133	WEDAQNJISTXIET-QFIPXVFZSA-N	319.386	1.975	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@H](C)c2nccs2)n1	184241846	RFQLGAVJUUGPRC-VIFPVBQESA-N	307.379	1.977	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cc2ccccc2[nH]1	77164004	JQOCWIIKYNZVOI-UHFFFAOYSA-N	316.361	1.234	50	20	DDGD	
CN1N=C(C(=O)NNc2ccc(C#N)c(Cl)c2)CCC1=O	182324665	XISGGPDWMSBNNU-UHFFFAOYSA-N	305.725	1.263	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)COCC2CC2)c(C)c1	76950290	XSZDFJDYKQLLAP-UHFFFAOYSA-N	305.378	1.289	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)C2=CCCC2)o1	132406043	ZPOBJHDWTOAXJO-UHFFFAOYSA-N	305.378	1.993	50	20	DDGD	
C[C@@H]1CCC[C@@H](C)C1NC(=O)NN[C@]1(C)CCS(=O)(=O)C1	86426671	ZKJJPVSSARYJAE-JTNHKYCSSA-N	317.455	1.192	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cnn(CC(F)F)c2)cc1	131494206	DAMHHSQJQNYMKP-UHFFFAOYSA-N	323.303	1.538	50	20	DDGD	
CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)C(C)(C)O	192927964	LZFLKWKWPJAKIP-NSHDSACASA-N	308.378	1.497	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)C[C@@H]1CCCCO1	86990525	ANRLXFMKXLCINR-ZDUSSCGKSA-N	315.373	1.817	50	20	DDGD	
O=C(CN1CCCC1=O)NNc1ccccc1OC(F)(F)F	190183500	AIRNEQMHFVSBHF-UHFFFAOYSA-N	317.267	1.651	50	20	DDGD	
CN(N/C=C1\C(=O)NC(=O)c2ccccc21)C(=O)OC(C)(C)C	139236387	YEFWAHLMPLVDAP-XFXZXTDPSA-N	317.345	1.669	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)N(C)CC(F)(F)F)s1	192188098	SHOUMACAGWIBMF-QMMMGPOBSA-N	323.340	1.700	50	20	DDGD	
CC(C)Oc1ccccc1CNC(=O)NNC(=O)c1ccc[nH]1	194012438	MHTXQSOCBQZFIA-UHFFFAOYSA-N	316.361	1.946	50	20	DDGD	
CCN(CC)CC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	143731601	IDVDZUDFEDTPHP-LLVKDONJSA-N	323.462	1.976	50	20	DDGD	
COc1cccc(C(=O)NCC(=O)NNc2ccc(C)cc2)c1	192650144	OPBIMBMYWDMIFQ-UHFFFAOYSA-N	313.357	1.877	50	20	DDGD	
Cc1nc(Cl)ccc1NC(=O)C(=O)NNC(=O)C(C)(C)C	193255528	CBTBPFKTQGQPIJ-UHFFFAOYSA-N	312.757	1.175	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCCCO[C@H]1CCOC1	194740496	FZSSIPJACURCSS-DKGMDFAASA-N	316.357	1.611	50	20	DDGD	
COc1ccccc1/C(C)=C\C(=O)NNC(=O)c1cccn1C	255066368	VFRVDKNBMSLQSQ-QXMHVHEDSA-N	313.357	1.898	50	20	DDGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCN(CCO)CC1	267366292	IYFYZNTVSFJFQS-PJQLUOCWSA-N	302.334	1.069	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@H](C)N(C)Cc1ccccc1	264691888	AFKBQPRQZJOTOD-CQSZACIVSA-N	320.437	1.883	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)CNc2ccc(C)cc2C)O1	268227272	KFRHOCGOWTUJLM-ZFWWWQNUSA-N	319.405	1.820	50	20	DDGD	
Cc1c(NNC(=O)N[C@H](C)Cn2cccn2)cccc1[N+](=O)[O-]	263990649	VKUKLYCHWNNBHZ-SNVBAGLBSA-N	318.337	1.815	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)CC(C)(C)C)cc1O	264171336	LZBCDRNFADPHIT-UHFFFAOYSA-N	309.366	1.667	50	20	DDGD	
CCS(=O)(=O)c1ccccc1C(=O)NNC(=O)C1CCC1	264676187	HXLCLDQJDQCOGJ-UHFFFAOYSA-N	310.375	1.041	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(C2CC2)nc2ccc(F)cc12	266312382	XFVDLJYRCIRMEV-UHFFFAOYSA-N	302.309	1.825	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCn1cnc2ccccc21	264762034	JIZMIQMVNDNAPY-UHFFFAOYSA-N	317.393	1.803	50	20	DDGD	
CN1CCC[C@@H]1C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	264809226	JGBOFFRBOKIYCD-LLVKDONJSA-N	321.768	1.927	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1cccc2c1OCCCO2	269267795	HJCMAZSGULUMFG-UHFFFAOYSA-N	321.377	1.724	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2cc(C(C)C)on2)c1	270691937	WNDFOHYZPFUHRN-UHFFFAOYSA-N	317.345	1.946	50	20	DDGD	
Cc1nc(C)c(CCC(=O)NNc2ccnc(F)c2)c(O)n1	272758141	OHQLEZUGZJBCRF-UHFFFAOYSA-N	305.313	1.409	50	20	DDGD	
C[C@@H]1Oc2ccccc2[C@H]1NC(=O)NNC(=O)c1ccc[nH]1	365814741	SJCOAGPBYRJANA-ZANVPECISA-N	300.318	1.481	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccccc1NC(=O)C(C)(C)C	273025510	RZUCYPBDHWWHPW-UHFFFAOYSA-N	320.393	1.977	50	20	DDGD	
O=C(NNC(=O)C1CC1)C(=O)Nc1ccccc1C(F)(F)F	274053475	LQIFWEOTFUBRJB-UHFFFAOYSA-N	315.251	1.201	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)CC[C@H]2CCCO2)c1	272044142	RQVMVBKQJQAKRN-GFCCVEGCSA-N	312.391	1.492	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)CCCOC(C)C)nc1C	273269449	RCSWNPUAORXHNG-UHFFFAOYSA-N	324.381	1.610	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1cc(F)cc(Cl)c1	274212800	TZOXIQCYRGPEDE-UHFFFAOYSA-N	315.732	1.611	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCS[C@@H](C)CC1	277175500	ZHIJWYGOBRMRNC-NSHDSACASA-N	323.418	1.877	50	20	DDGD	
COc1nccnc1NNC(=O)C[C@H]1C[C@@H](C(C)=O)C1(C)C	274925027	JXAKLQSHBMXHJP-MNOVXSKESA-N	306.366	1.570	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)O)c(C)n1-c1ccccc1	270783459	UOCJGSQZOOAYLJ-GFCCVEGCSA-N	301.346	1.236	50	20	DDGD	
CC[C@@H]1CC[C@H](C)N1CC(=O)NNC(=O)Cc1nc(C)cs1	271462281	FGPAZIJPCHBSGI-NWDGAFQWSA-N	324.450	1.404	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)c1	282798306	WXTLJSTUGGTXOU-HEHGZKQESA-N	320.389	1.643	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccc(-n2ccnc2)nn1)N(CC)CC	286783186	XJHSYFMMPBYIBF-LBPRGKRZSA-N	317.397	1.226	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(OCC(=O)NC)cc1C	280877476	DEXXNLSGCIIRQX-FMIVXFBMSA-N	317.345	1.502	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1ccc(O[C@@H](C)C(=O)O)cc1	285221213	SGPXUVXUBAXDEM-AAIQCTMTSA-N	309.343	1.838	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1c(C)cc(F)cc1C	282106588	YLDDCSQUISIERP-QMMMGPOBSA-N	302.371	1.798	50	20	DDGD	
CCOc1ccccc1C(=O)NNC(=O)NCC(F)(F)F	281390667	XXPFUQVVGXHNML-UHFFFAOYSA-N	305.256	1.592	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2occc2C(C)C)n1	284224633	GOLWEBWHNLHOPX-UHFFFAOYSA-N	304.350	1.678	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cccnc1OCC(F)(F)F	294308042	XKPKCAWPIZVKDA-UHFFFAOYSA-N	317.267	1.584	50	20	DDGD	
COC(=O)NNC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1	298291124	DYXDRQSGHFZUCB-UHFFFAOYSA-N	321.377	1.491	50	20	DDGD	
CN(CC(=O)NCC(Cl)Cl)c1ccccc1[N+](=O)[O-]	294295134	HITGCGLCDBCGAI-UHFFFAOYSA-N	306.149	1.951	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2cc(C(=O)O)c(C)[nH]2)c1	800806325	VNAJYLDYXWQHDZ-UHFFFAOYSA-N	315.329	1.859	50	20	DDGD	
CCc1oc(C=NNC(=O)c2c[nH]nc2C)cc1C(=O)OC	800813027	QARLWWXVGNDXAF-UHFFFAOYSA-N	304.306	1.424	50	20	DDGD	
CCCCN(C)C[C@@H](C)NC(=O)NNC(=O)c1ccc(C)o1	292067180	SMGZANLHAZGDBT-LLVKDONJSA-N	310.398	1.652	50	20	DDGD	
COCC(C)(C)CCCNS(=O)(=O)CBr	805123097	LISDMMYMSALFGP-UHFFFAOYSA-N	302.234	1.711	50	20	DDGD	
CCOc1cc(C(=O)NNC(=O)COCc2ccccc2)on1	295930715	SIVAKMZIIBLJGJ-UHFFFAOYSA-N	319.317	1.051	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC[C@H](CC(C)(C)C(N)=O)C1	296019035	LMVLXKHHHQQKAR-RVROTUBLSA-N	307.394	1.571	50	20	DDGD	
N#Cc1cccc(NNC(=O)C(=O)N2CCc3cc(F)ccc32)c1	802567776	BZJNKSDSWMOTSV-UHFFFAOYSA-N	324.315	1.730	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1cc(F)cc2nn[nH]c12	800536987	WSMLLYHRAYXLAW-UHFFFAOYSA-N	323.291	1.797	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cn(C)c(C)cc1=O	805376419	AMSAEBJASHAHBX-UHFFFAOYSA-N	316.317	1.667	50	20	DDGD	
CC(C)CCC(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	291283037	RIGTZRVKDRDUKM-UHFFFAOYSA-N	313.423	1.816	50	20	DDGD	
CC[C@H](CC1CCCCC1)C(=O)NNC(=O)N1CCN(C)CC1	807383012	YOHKMZIHSLNERX-OAHLLOKOSA-N	324.469	1.971	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(C(F)(F)F)s2)n[nH]1	802937918	IZSYCPAXSJAYND-UHFFFAOYSA-N	318.280	1.873	50	20	DDGD	
O=C(NNC(=O)c1cncs1)Nc1ccc2c(c1)OCO2	802105930	LQPFDNYWRZPBFT-UHFFFAOYSA-N	306.303	1.338	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1ccc2c(c1)C(=O)OC2	808892735	KZJBKVGGJFCAHH-UHFFFAOYSA-N	312.285	1.219	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCCSC2)cc1	809958553	CAKWUHIRSDFQFL-LBPRGKRZSA-N	308.403	1.664	50	20	DDGD	
CCN1C[C@H](C(=O)NNc2cc(C(F)(F)F)ccn2)CC1=O	295479714	YZYHZCXPAQFFRH-MRVPVSSYSA-N	316.283	1.412	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cc(C3CC3)ccn2)n1	290119918	NBAYGRUZGXLOPK-UHFFFAOYSA-N	300.322	1.906	50	20	DDGD	
C/C(=C\C(=O)NNc1ccccc1S(=O)(=O)N(C)C)C1CC1	294576576	HEXGLQCFKHKIGX-ZHACJKMWSA-N	323.418	1.736	50	20	DDGD	
COc1c(Cl)cccc1NC(=O)NNC(=O)[C@@H]1CCCO1	292650293	OXBUZSFRMSACPN-JTQLQIEISA-N	313.741	1.680	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCCO2)c2nccc(C)c2c1	292241758	WVDWEIGQTIAFMS-AWEZNQCLSA-N	313.357	1.792	50	20	DDGD	
Nc1nc(C2CC2)ncc1C(=O)NNc1ccc([N+](=O)[O-])cc1	807081789	AYXDRXLDHAKFST-UHFFFAOYSA-N	314.305	1.601	50	20	DDGD	
C[C@@H]1CC[C@@H](C(=O)NNC(=O)COc2ccccc2O)C[C@H]1C	294533941	HNNINHPZDUROQT-JHJVBQTASA-N	320.389	1.991	50	20	DDGD	
COCCN1C[C@H](C(=O)OC[C@H](C)CBr)CC1=O	800132038	MUFDJLJMXVDDSY-NXEZZACHSA-N	322.199	1.056	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cccc(OC[C@H]2CCCO2)c1	299373512	LJOHFTUERNZAAJ-CYBMUJFWSA-N	307.350	1.160	50	20	DDGD	
COc1nccc(NC(=O)NNC(=O)CCc2ccccc2)n1	801727854	ZHLYUOCZSBGVJR-UHFFFAOYSA-N	315.333	1.271	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)COc2ccccc2O)[nH]1	814951959	FCGHHAPRPRDKFQ-UHFFFAOYSA-N	317.301	1.036	50	20	DDGD	
O=C(NNc1ncccn1)[C@H]1CCO[C@@H](c2ccccc2)O1	816849394	YAOJCVHCNFIIAT-TZMCWYRMSA-N	300.318	1.424	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H](O)c1ccc(Cl)cc1F	813364157	HOZGWCZZJVOEOB-JTQLQIEISA-N	317.773	1.194	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)Nc1ccc(N(C)C)cc1)OC	811968412	HWEVPOAYVXZBTO-CYBMUJFWSA-N	323.397	1.513	50	20	DDGD	
C[C@@H](Cc1cnc2ccccc2n1)C(=O)NNc1cnccn1	816173550	JZMJNUCBHAOCQD-NSHDSACASA-N	308.345	1.742	50	20	DDGD	
CC(=NNC(=O)Cc1cccnc1)c1csc(C(=O)O)c1	814837711	HXNFICLYRMPKDC-UHFFFAOYSA-N	303.343	1.924	50	20	DDGD	
Cc1nn(-c2ccccc2)cc1C(=O)NNc1ncncc1F	817081522	FTKLMJQTHCAWTI-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
CC[C@@H](Cc1ccccc1C)C(=O)NNc1nnc(C)c(O)n1	819839895	UILOPZSJUUMTDJ-LBPRGKRZSA-N	315.377	1.906	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccnc(-c2ccco2)c1	820936210	HWVYSSDRLAORFG-AWEZNQCLSA-N	315.329	1.672	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCCOC2CCCC2)c1	728953926	ZNRJPBPBYCOPSO-UHFFFAOYSA-N	316.361	1.461	50	20	DDGD	
CNC(=O)/C(C#N)=C/c1ccccc1OCC(=O)NCC1CC1	490665039	XPRQWXBDNPMRDE-RIYZIHGNSA-N	313.357	1.245	50	20	DDGD	
Cc1nc(CCNC(=O)/C(C#N)=C/c2cnn(C)c2)sc1C	491138433	YZHBYTRROUTHQI-AWNIVKPZSA-N	315.402	1.759	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CN1CCCC1=O)c1cccc(Cl)c1	827831793	HTCGTVQKTSQYTL-JTQLQIEISA-N	323.780	1.213	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC[C@H]1c1ccc(F)cc1	827322858	BDCZMLIMGGUITH-AWEZNQCLSA-N	307.369	1.766	50	20	DDGD	
Cc1ccoc1CC(=O)NNC(=S)NCCc1cccs1	820159792	QWMPQJPLLXFAGW-UHFFFAOYSA-N	323.443	1.930	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@H](O)c1ccc(C(F)(F)F)cc1	823902289	PCKWTVDUWMUTJS-LDYMZIIASA-N	306.284	1.083	50	20	DDGD	
C[C@H](NNC(=O)C[C@H]1C(=O)Nc2c(F)cccc21)C(F)(F)F	826941935	LGDUEHAWIKAXMR-POYBYMJQSA-N	319.258	1.823	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=C(C)[C@@H]1CCCO1	496729982	HVWFDXXTNJEVOI-OLZOCXBDSA-N	323.393	1.574	50	20	DDGD	
COc1nc(C)cc(C)c1CNC(=O)NNC(=O)CC(C)(C)C	728597280	SJNPAIQLAUMSEC-UHFFFAOYSA-N	322.409	1.974	50	20	DDGD	
CC(C(=O)NNC(=O)CNC(=O)c1cccs1)=C1CCC1	825581746	OARVCWZNHRCXNS-UHFFFAOYSA-N	307.375	1.126	50	20	DDGD	
CC[C@@H](CC(F)(F)F)C(=O)NNC(=O)Cn1nc(C)cc1C	822208959	OFHLLPCOQDKRJM-JTQLQIEISA-N	320.315	1.626	50	20	DDGD	
C[C@@H]1SCC[C@@H]1NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	828524680	FBMCFEVWXCVYSF-KWQFWETISA-N	324.362	1.433	50	20	DDGD	
C[C@H]1SCC[C@@H]1NC(=O)NNc1ccc(-n2ccnc2)nn1	827650118	NNKQZNDLDYZHHG-ZJUUUORDSA-N	319.394	1.182	50	20	DDGD	
COCC[C@@H](C=NNC(=O)CC1CC1)NC(=O)OC(C)(C)C	495899359	YWPQCSTWGUVJDY-LBPRGKRZSA-N	313.398	1.818	50	20	DDGD	
CCOC(=O)N[C@H](C(=O)NNC(=O)c1ccccc1C)C(C)C	490577036	ZZXAWHSYXQFIEO-ZDUSSCGKSA-N	321.377	1.527	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1CCC[C@H]1c1ccsc1	584930384	WQEGEXYIUAYSGB-AWEZNQCLSA-N	319.166	1.544	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(OCC(=O)OC)cc1C	490754595	QSTCNYYGHMHSID-XFXZXTDPSA-N	318.329	1.929	50	20	DDGD	
O=C(CCn1cccc1)NNC(=S)NCCc1cccs1	820168479	AFTKUUKIVPCQHC-UHFFFAOYSA-N	322.459	1.678	50	20	DDGD	
C[C@@H]1[C@@H](NCC(=O)NNC(=O)c2cccs2)CCC[C@H]1C	727105523	SREPRDHHGQWYFX-WOPDTQHZSA-N	309.435	1.923	50	20	DDGD	
CCCN1CCC[C@H]1CNC(=O)/C(C#N)=C\c1cnn(C)c1	490971254	IPSJKBLAPZYQNN-OWTLUSIOSA-N	301.394	1.318	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)NC2CCCC2)C[C@H]1Br	906439340	YQRSVYRZZHHPNG-LDYMZIIASA-N	304.188	1.433	50	20	DDGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C)[C@H](C)O	490974752	OBSLNCAJHFBMFC-WHPPYECVSA-N	300.362	1.388	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@H]1Cc2ccccc2S1	822067163	RNTWRPQIZQCRSO-CYBMUJFWSA-N	301.371	1.503	50	20	DDGD	
Cc1ccc(Nc2cccc(C(=O)NNC(=O)C(C)C)c2)nn1	736066939	ZLDCYABKKXBFEK-UHFFFAOYSA-N	313.361	1.946	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@](C)(C#N)CC(=O)O)c1ccccc1	820261423	KTFRZQXOODLLOP-BLLLJJGKSA-N	317.345	1.332	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	826891944	BCGQMMXJPFAOST-AAVRWANBSA-N	311.426	1.958	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1cccc(N2CCOC2=O)c1	495121607	HQVAIMSUBPULMF-UHFFFAOYSA-N	318.333	1.596	50	20	DDGD	
C[C@@H](Cc1c(F)cccc1F)NCc1cccc(B(O)O)c1	585017367	VPRNIYFEVPIYQW-NSHDSACASA-N	305.133	1.365	50	20	DDGD	
C[C@@H]1COCCN1CCNC(=O)/C(C#N)=C\c1ccc(F)cc1	490838883	BRIMNEDLSBSRSB-NWFCWYBLSA-N	317.364	1.570	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H](CC(C)C)C(N)=O	839719683	XBEXANJFLNRXIW-NSHDSACASA-N	307.350	1.064	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCC1Cc2ccccc2C1	735326292	OGXJSADBDPVVIR-UHFFFAOYSA-N	324.384	1.370	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NC[C@](C)(O)C2CC2)cc(C#N)n1C	490664209	PCUMOEFMPKUCJB-LBWZGELYSA-N	312.373	1.389	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1	838497141	UICGDOGMNUOCNC-YRGRVCCFSA-N	317.393	1.808	50	20	DDGD	
C[C@H]1CC(NC(=O)NNc2cccc(C(=O)O)c2)C[C@H](C)O1	833595786	ADHGSQSFXQZFGS-UWVGGRQHSA-N	307.350	1.967	50	20	DDGD	
CC(C)Cn1cc(C(=O)N2CC[C@H](B(O)O)C2)c2ccccc21	585067295	VUWPBWAUOPNCBB-ZDUSSCGKSA-N	314.194	1.986	50	20	DDGD	
O=C(NC[C@H]1[C@H]2c3ccccc3CC[C@H]21)c1cccc(B(O)O)c1	584963641	BJQJCKARNLGMTR-KSZLIROESA-N	321.185	1.072	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)c1cccc(Cl)n1	730780087	OKRKNWIKJKMOMT-UHFFFAOYSA-N	321.720	1.281	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc2ncsc2c1	833260789	HWVAOKFSIAQYCY-LLVKDONJSA-N	305.359	1.626	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NC2CN(C(=O)O)C2)cc1	833449236	QMLVBHNMWGWUKA-UHFFFAOYSA-N	306.366	1.972	50	20	DDGD	
COC(=O)N1CCN(C(=O)[C@@]2(C)C[C@@H]2Br)CC1	906345949	XLMGNQSTKXDECY-KWQFWETISA-N	305.172	1.071	50	20	DDGD	
CO[C@H]1CCN(CC(=O)NNC(=O)c2ccc(C)cc2)C[C@H]1C	831529385	XSIZUJTXDCZSBE-HIFRSBDPSA-N	319.405	1.113	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H](C)C[C@H](C)N)c(F)c1	831224068	WBIOOJVZTRORCX-IUCAKERBSA-N	312.345	1.364	50	20	DDGD	
C#CCCCC(=O)NN=Cc1cccc(OCCC(=O)O)c1	901324644	XBIDIAFGYAEOOU-UHFFFAOYSA-N	302.330	1.794	50	20	DDGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)NCC(=O)O)cc1	832928527	TYRLJPCASUDSPQ-ZTFCMROMSA-N	316.313	1.035	50	20	DDGD	
Cc1ccc(F)c(CCNC(=O)NNC(=O)CC(F)(F)F)c1	838683180	FQMXJLXRYJUGQD-UHFFFAOYSA-N	321.274	1.959	50	20	DDGD	
O=C(CCCS(=O)(=O)N1CCCC1)NCC(Cl)Cl	837649442	PEQHIMRKDSZDNS-UHFFFAOYSA-N	317.238	1.112	50	20	DDGD	
CSCCCCCNC(=O)NNC(=O)[C@@H]1CCCCO1	836406515	UETDTGMSTDPXPW-NSHDSACASA-N	303.428	1.419	50	20	DDGD	
CS[C@@H](CNC(=O)NNC(=O)[C@H]1CCCCO1)C(C)(C)C	836395731	WQFMJHXAVLBRLP-MNOVXSKESA-N	317.455	1.664	50	20	DDGD	
O=C(NN=Cc1cc(Br)c[nH]1)[C@H]1CCCCO1	834987023	YUQUXKWVWUXIDB-SNVBAGLBSA-N	300.156	1.796	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1	916460890	SGPXJHLLQWHDAA-OKILXGFUSA-N	312.458	1.731	50	20	DDGD	
Cc1c(NNC(=O)c2cnc3n2CCC3)cccc1[N+](=O)[O-]	830810167	IBTWKLIHHSTCHB-UHFFFAOYSA-N	301.306	1.803	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H](CO)c1cccnc1	910967429	JHQNTKWLSHPDEO-CYBMUJFWSA-N	322.796	1.597	50	20	DDGD	
C[C@@H]1C[C@H]1c1ccc(C=NNC(=O)Cc2cc(O)nc(O)n2)o1	743447902	RNXXPSCVGCQBJE-LDYMZIIASA-N	316.317	1.297	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)c2cccc(Cl)n2)c1C	912506149	FCMLDZCNNRCGCI-UHFFFAOYSA-N	321.768	1.643	50	20	DDGD	
C[C@@H]1NC(=O)N(CCOC(=O)/C(C#N)=C/c2ccccc2)C1=O	837680003	WOUWQHNRKCCXPC-GJSJWPQCSA-N	313.313	1.077	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CN2[C@H](C)CC[C@H]2C)cc1	746096523	JJFKTIWRDNORCI-ZIAGYGMSSA-N	319.405	1.394	50	20	DDGD	
C[C@@H](C(=O)NNc1ccnc(N(C)C)n1)N1[C@H](C)CC[C@H]1C	740104445	LBHLSPPAIRHDLY-UTUOFQBUSA-N	306.414	1.247	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)N[C@@H](C)CS(C)(=O)=O	918606361	AYCYXUVPZYCETG-VIFPVBQESA-N	319.814	1.708	50	20	DDGD	
Cc1ccc(N2CCC(C(=O)NNC(=O)C(C)C)CC2)nc1	919810524	IZLLFFWUDHCPKA-UHFFFAOYSA-N	304.394	1.410	50	20	DDGD	
C[C@H](CC(=O)NNc1ccc(S(C)(=O)=O)cc1)n1ccnc1	845854454	AVPQANLHWRHUQQ-LLVKDONJSA-N	322.390	1.381	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCC[C@H](OC(C)C)C2)n1	846717676	OBPWNJOFOYYMHK-ZDUSSCGKSA-N	320.393	1.634	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc(-c2ccccc2)[nH]1	843970941	NJWPVQZXOTWIJN-JQWIXIFHSA-N	314.345	1.263	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H](C)Cc2cnc[nH]2)cc1	847288229	XSXQDBCPVGLSBJ-GFCCVEGCSA-N	316.361	1.123	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H](C)[C@@](C)(OC)C2CC2)nc1	841588778	CMLSFQCEEAUOLN-MEBBXXQBSA-N	308.382	1.920	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=C2CCN(C)[C@@H](C)C2)C[C@@H](C)O1	741455015	JXOOVKKSRPBISY-ZQDZILKHSA-N	324.469	1.318	50	20	DDGD	
C[C@H]1OCCC1=NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	747764752	RTLKWQIKPYNYJF-SECBINFHSA-N	311.363	1.376	50	20	DDGD	
CC[C@](O)(C(=O)NN(C)C[C@@H](C)O)c1cccc(Cl)c1	910149516	FSCWBCPEKHROMK-QMTHXVAHSA-N	300.786	1.281	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)c2cc(-c3ccccc3)on2)C1	843759110	HRSBHOGEERAKEF-NSHDSACASA-N	313.313	1.472	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C[C@@H](C)OC)ccc1OC(C)C	749564814	XLHDFKRQZUSPJU-LLVKDONJSA-N	324.377	1.668	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1ccncc1)N1CCc2ccccc21	847280802	IDOXXAYERUWVHK-CYBMUJFWSA-N	324.384	1.684	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H](F)CC1CCCCC1	843659222	XAHHKLTYXZIGFY-DRZSPHRISA-N	300.374	1.867	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C2CCCC2)c(-c2ccncc2)n1	745843503	MHAVJUPAKBSSAL-UHFFFAOYSA-N	313.361	1.433	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1ccc2c(c1)OCC(=O)N2	842556372	AVUXKCNHISTWMB-CMPLNLGQSA-N	317.345	1.283	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)N[C@@H](C)CCN	841966472	CZLXEADOIPFWNL-QMMMGPOBSA-N	314.773	1.030	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1	742034289	GVFBPUUIADWRON-CQSZACIVSA-N	323.368	1.002	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cc1ccncc1)c1cccs1	747671056	FSINWTZHGKFUJI-JTQLQIEISA-N	320.443	1.942	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)nn1	929276660	NICSVUCXBIUPGC-UHFFFAOYSA-N	315.377	1.670	50	20	DDGD	
C[C@@H]1CCC[C@@H](OCC(=O)NNc2ccnc(N(C)C)n2)C1	740107376	DZLOSZBQSCADLW-VXGBXAGGSA-N	307.398	1.581	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2C[C@H]2C2CCC2)cc1	845095877	GYWLVTUTGVBVQJ-UONOGXRCSA-N	315.373	1.517	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2COC[C@H]2C)c1F	926019874	RGJBAOUGLJRFOZ-LDYMZIIASA-N	311.313	1.273	50	20	DDGD	
C#CCCCC(=O)NNC(=O)/C(=C/c1ccccc1)NC(C)=O	757834188	KNNPOZOPOFQXRL-QINSGFPZSA-N	313.357	1.115	50	20	DDGD	
Cc1ccc(CC(=O)OCC(=O)NNC(=O)c2cccs2)o1	754334392	NGBJQCXGOBIMFX-UHFFFAOYSA-N	322.342	1.196	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H](NC(=O)NNc2ncc(F)cc2F)C1	924166382	SWYKQXPIAIUTKR-APPZFPTMSA-N	314.292	1.328	50	20	DDGD	
COCCN(C)NC(=O)c1cc(C)n(-c2cnn(C)c2)c1C	854412250	DTRZWVNHLOIFDG-UHFFFAOYSA-N	305.382	1.051	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1c(C)cccc1C	854282152	FIJBPNBPBNNEFV-UHFFFAOYSA-N	309.435	1.791	50	20	DDGD	
O=C(NNc1ccncn1)c1ccnc(OCC(F)(F)F)c1	857520986	WCGBBISYTOSJCS-UHFFFAOYSA-N	313.239	1.570	50	20	DDGD	
CC(C)[C@H](CO)ONC(=O)NC[C@]1(C)C[C@H]1Br	856960442	PHRMTEREKJFMCE-NGZCFLSTSA-N	309.204	1.408	50	20	DDGD	
N#C[C@H](CCc1ccccc1)C(=O)NNC(=O)CC(F)(F)F	855001025	SPMZQFNTUHLXNL-NSHDSACASA-N	313.279	1.859	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cnc2ccccc2n1	855093313	LPCMQQFHXSYKQG-UHFFFAOYSA-N	315.402	1.539	50	20	DDGD	
CC(C)C(=O)NCCNC(=O)NNc1cc(F)cc(Cl)c1	853237406	ZCXHOGYTYRSVTR-UHFFFAOYSA-N	316.764	1.877	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C2(C(=O)NC3CC3)CCC2)c1	759320908	BOTHKZPXSSKFQS-UHFFFAOYSA-N	321.352	1.726	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)OCC(F)(F)F)c1C	856026826	NLLJILCPEUFXCS-UHFFFAOYSA-N	321.255	1.767	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccnc(N2CCC[C@@H](C)C2)c1	854920673	HAUXCUVSUNDKMZ-LLVKDONJSA-N	321.450	1.399	50	20	DDGD	
Cn1nc(CC(=O)NN=c2cc[nH]cc2Cl)c2ccccc21	857488634	WDGNMRCOPGDBBS-UHFFFAOYSA-N	315.764	1.729	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42	857357704	APUFKFAYXOJNGM-DMCWRTHBSA-N	316.792	1.967	50	20	DDGD	
CC(C)(C)CC(=O)N1CCC(=NNC(=O)c2cc[nH]n2)CC1	853393123	VGKPTMKCIRLBDD-UHFFFAOYSA-N	305.382	1.554	50	20	DDGD	
Cc1ccc(NNC(=O)NCCS(=O)(=O)C(C)C)cc1F	854070534	HMLDJMVXBABQIQ-UHFFFAOYSA-N	317.386	1.583	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@H]1CC1(C)C	751803171	SKSBRPMKAUJHKQ-CYBMUJFWSA-N	318.373	1.274	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ncc(C(C)(C)C)s2)n[nH]1	756790823	BVOZFJUOOFCUMU-UHFFFAOYSA-N	322.394	1.939	50	20	DDGD	
C[C@@H]1CCCN1S(=O)(=O)NC[C@]1(C)C[C@@H]1Br	856754898	PGRICKHAPHAOAS-UTLUCORTSA-N	311.245	1.479	50	20	DDGD	
CCOc1cc(Cl)ccc1C(=O)NN(C)C(=S)NC	854922198	ANHGWLXTMRMTCW-UHFFFAOYSA-N	301.799	1.820	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C(C)Cn1cncn1	853265636	BLMYJRMCHOIIJH-UHFFFAOYSA-N	317.349	1.248	50	20	DDGD	
CN(CC(=O)NNc1nc(C(F)(F)F)cs1)C(=O)C1CC1	755859801	LERAYVSABGJODH-UHFFFAOYSA-N	322.312	1.473	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NC[C@@]1(C)C[C@@H]1Br	857385100	DHVSNLFGHMPYPE-VDDIYKPWSA-N	306.200	1.865	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cn2cnc3c2CCCC3)cc1	757923483	NYNJRVUHKDPQLJ-UHFFFAOYSA-N	323.356	1.095	50	20	DDGD	
C#C[C@@H](CC)NC(=O)NNC(=O)COc1cc(C)ccc1C	854068014	GYZZBJYOPXOMMG-ZDUSSCGKSA-N	303.362	1.424	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)CCCNC(=O)C(C)(C)C	853407972	JPSAXLUELBRSIH-LBPRGKRZSA-N	324.425	1.090	50	20	DDGD	
Cc1nonc1CNC(=O)NC[C@]1(C)C[C@@H]1Br	856956203	PDMCJNIALOPGTL-WPRPVWTQSA-N	303.160	1.351	50	20	DDGD	
C=C[C@](C)(O)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	854239459	AHZMGIHNGRKBAF-PSLIRLAXSA-N	308.403	1.571	50	20	DDGD	
Cc1cnn(CC(=O)NNc2nc(C(F)(F)F)cs2)c1	755859396	IHIGQWKRQPFXAF-UHFFFAOYSA-N	305.285	1.810	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C(C)(C)c1ccccc1)[C@@H]1CCC(=O)N1	859297622	AAFARXRDYNYDNZ-YPMHNXCESA-N	317.389	1.026	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNC(=O)CC(C)C)ccc1F	756054952	IYCHVZNAIJIIGA-UHFFFAOYSA-N	311.313	1.811	50	20	DDGD	
CC1CC(CNC(=O)NNc2ccc(-n3ccnc3)nn2)C1	856904876	USMXDVZQQVBCBU-UHFFFAOYSA-N	301.354	1.335	50	20	DDGD	
CC[C@@H](C(=O)NNC(=S)N[C@@H](C)C1CC1)N(CC)CC	855100893	LCBXSWZWMLIMRQ-JQWIXIFHSA-N	300.472	1.401	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cc(Cl)ccc1F	753707283	FWMBFZRDERQIJV-SECBINFHSA-N	302.733	1.981	50	20	DDGD	
COC(=O)[C@@H](CC(F)F)NS(=O)(=O)CC(C)(C)CCl	867028256	YYRCOZMZFOBFRA-SSDOTTSWSA-N	321.773	1.368	50	20	DDGD	
CCOc1cccc(/C=C\C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	862094917	FPXSAFAFIQXVMD-LPDHVVABSA-N	318.373	1.671	50	20	DDGD	
CCCCOc1cc(OC)ccc1C(=O)NNC(=O)NCC	769558484	CVJGRPDGWTVIJA-UHFFFAOYSA-N	309.366	1.838	50	20	DDGD	
O=C(NN=C1CCN2CCC[C@@H]12)c1cnn(-c2ccccc2)c1	765577849	QMSUBOMPHCNVRU-INIZCTEOSA-N	309.373	1.826	50	20	DDGD	
Cc1cc(=NNC(=O)c2cccnc2OCC(C)C)cc[nH]1	862511439	PDYIBSIVDSAPDU-UHFFFAOYSA-N	300.362	1.999	50	20	DDGD	
CCCc1noc(CCCC(=O)NN[C@@H](C)C(F)(F)F)n1	862310454	XVBHDNLEIPARBD-QMMMGPOBSA-N	308.304	1.916	50	20	DDGD	
COc1cc(OC)c(NCc2ccc(B(O)O)cc2)cc1F	864029245	GZPKYAQDXKQWBH-UHFFFAOYSA-N	305.114	1.135	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)C(F)(F)C2(O)CCC2)n1	764372656	MUBJAPALPHTSIE-UHFFFAOYSA-N	306.700	1.432	50	20	DDGD	
C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccc(B(O)O)cc1	867296351	KRTSRKKMQWIUFF-KOLCDFICSA-N	315.100	1.169	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1ccc(C(F)F)cc1	933091448	BLZPLOUNBWMCOT-UHFFFAOYSA-N	317.292	1.440	50	20	DDGD	
O=C(NN=Cc1cnc(C2OCCO2)s1)c1ccccc1	761724454	VNVULTBLZCEHBT-UHFFFAOYSA-N	303.343	1.952	50	20	DDGD	
COC(=O)c1cc(C)cc(NC(=O)NNC(=O)CC2CC2)c1	933030285	ICFAXJFFNCWWQQ-UHFFFAOYSA-N	305.334	1.734	50	20	DDGD	
CC(CCCCO)=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1	766690581	OZHNMGJUMYGCOF-SNPRPXQTSA-N	313.442	1.386	50	20	DDGD	
CC(C)(C)NC(=O)[C@H]1CCCN1CCI	932434216	LKAIOTSPJIFAGC-SECBINFHSA-N	324.206	1.801	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2cnn(CCN(C)C)c2)c1	866879211	PWSHGXFYDZYIGI-UHFFFAOYSA-N	305.357	1.649	50	20	DDGD	
COc1ccc(NNC(=O)CN2[C@@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1	769309157	CSLLKAZAYUFRFS-QWRGUYRKSA-N	322.365	1.919	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCc2nc(C)cs2)n1	768003618	JHQGVLOGXNPFBF-UHFFFAOYSA-N	307.379	1.634	50	20	DDGD	
CN([C@H]1CC(C)(C)OC1=O)S(=O)(=O)CC(C)(C)CCl	864495895	CQRGRBKANLMJSF-VIFPVBQESA-N	311.831	1.607	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1ccc(-c2ccc[nH]2)cc1	763817285	GIADMZZRUFUZEV-UHFFFAOYSA-N	314.345	1.424	50	20	DDGD	
Cc1cccc(CO[C@H](C)C(=O)NNC(=O)c2cc(C)[nH]n2)c1	867068856	RIHQNAUXJRZNAQ-GFCCVEGCSA-N	316.361	1.393	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(Cl)c2cccnc12	763442705	YTZQVTHMPIICKT-UHFFFAOYSA-N	320.736	1.384	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)[C@@H]1C[C@@]12CCOC2	764058225	FODFEAARAHXLMP-IINYFYTJSA-N	301.306	1.001	50	20	DDGD	
COCC(=O)NN=Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1	761825181	RVZOBKBOBLJTRS-UHFFFAOYSA-N	317.305	1.092	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)c2nc3ccccc3s2)CCO1	874914058	JLQDMBLZAPAUPB-UWVGGRQHSA-N	319.386	1.872	50	20	DDGD	
COCC1(CC(=O)NNC(=O)c2nc3ccccc3s2)CC1	874914253	QDDOQUWPABEEJP-UHFFFAOYSA-N	319.386	1.874	50	20	DDGD	
CN(N=Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(N)=O	767900709	LOKXKOBFQKUOEU-UHFFFAOYSA-N	302.294	1.340	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)NC(C1CC1)C1CC1	765647665	AEKDHOGHJCUHEF-UHFFFAOYSA-N	323.418	1.905	50	20	DDGD	
O=C(CCO)NN=Cc1ccc(Cl)cc1Br	1116315437	AAFXRPRJDHIMQM-UHFFFAOYSA-N	305.559	1.935	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)Cn2cc(C)cn2)c(C)c1	873758276	MMYNJEFLAPCEJW-UHFFFAOYSA-N	317.418	1.826	50	20	DDGD	
CNC(=O)COc1ccc(NC(=O)NCC(Cl)Cl)cc1	878641440	QTLPQFQAMUKYSJ-UHFFFAOYSA-N	320.176	1.737	50	20	DDGD	
COCCC1(C(=O)NNC(=O)c2ccc(OC)c(OC)c2)CC1	772957115	NHJOWEUZEWPERD-UHFFFAOYSA-N	322.361	1.282	50	20	DDGD	
COC[C@@H](OC)C(=O)NNC(=S)Nc1ccc(C)c(C)c1	873762243	PCQULTQTOYYDDR-GFCCVEGCSA-N	311.407	1.282	50	20	DDGD	
Cc1nnc(C(=O)NNc2nc(-c3cccnc3)no2)s1	1118618427	OEEGYSWNTYPOMS-UHFFFAOYSA-N	303.307	1.048	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)OCCn2ccnc2)cc(C#N)n1C	771898038	LJPFFXOXNLJBBM-VGOFMYFVSA-N	309.329	1.552	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccc2cccnc12)n1ccnc1	1115916892	AREKGAKWNGMSBF-LLVKDONJSA-N	309.329	1.454	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)c2cccn2C)c(F)c1	776754211	ZMWOYANWXJROHT-UHFFFAOYSA-N	303.293	1.442	50	20	DDGD	
CCc1ccccc1NC(=O)C(=O)NNc1nccc(OC)n1	773732171	XXHPFZGTKMFOAY-UHFFFAOYSA-N	315.333	1.129	50	20	DDGD	
CC[C@@H](C)[C@H](CNC(=O)NNC(=O)c1ccc(OC)cc1)OC	1117809571	SFAQTWZPRNWZJB-RISCZKNCSA-N	323.393	1.700	50	20	DDGD	
CCn1ncc(NC(=O)NN(C)CCOC)c1C(F)(F)F	879464329	IECZQYGHYWORPA-UHFFFAOYSA-N	309.292	1.537	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)c1nc2ccccc2s1	874914111	LTULUCISNGUEFL-VIFPVBQESA-N	307.375	1.872	50	20	DDGD	
Cc1cc(C)c(/C=C\C=NNC(=O)CS(C)(=O)=O)c(C)c1	872393595	BWGZFZAXJVGZNX-LFEODQJXSA-N	308.403	1.772	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)COc1ccccc1CC	771895139	WGUQKBMDSPLFOM-LLVKDONJSA-N	322.361	1.117	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNc1ccnc(Br)c1	771546228	AETRSBDIULBMMW-SSDOTTSWSA-N	315.171	1.202	50	20	DDGD	
O=C(NN=C1CCCc2ccc([N+](=O)[O-])cc21)c1cnccn1	773035913	YUNMSCHMHNCGBM-UHFFFAOYSA-N	311.301	1.855	50	20	DDGD	
COc1cccc(OCC(=O)NNc2cc(Cl)nc(N)n2)c1	779375295	VOAZDEVVRNDDCX-UHFFFAOYSA-N	323.740	1.243	50	20	DDGD	
N#CSCCCNC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O	773584717	IHDJKJLTDYSKIA-SFYZADRCSA-N	309.313	1.164	50	20	DDGD	
Cc1cc(C(F)(F)F)cc(C)c1NC(=O)NNC(=O)CO	880975527	PSDRLLWUIOGNQL-UHFFFAOYSA-N	305.256	1.467	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cc3c(s2)CCC3)nn1C	771875037	MEHVYZIMULBBAC-UHFFFAOYSA-N	320.374	1.054	50	20	DDGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](n2cncn2)C1	776876162	ANLUWHKLWAJUEY-YWKRCKIVSA-N	310.317	1.998	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@@H](F)Cc2ccccc2)n1	777964602	PMUVIIFRDQVUKT-AWEZNQCLSA-N	318.352	1.228	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc(CCC(=O)OC)c1	881095518	QSFYRLCVFONOGI-LLVKDONJSA-N	321.377	1.991	50	20	DDGD	
C=CCCCCCCCNC(=O)NNC(=O)c1cccnn1	883652092	BUTFHYIVBWKTBN-UHFFFAOYSA-N	305.382	1.947	50	20	DDGD	
C=CC[C@H](NS(=O)(=O)CBr)c1ccncc1	782444427	KJTTUJGUFCNYSA-JTQLQIEISA-N	305.197	1.971	50	20	DDGD	
O=C(COC(=O)C1=CCCCC1)NNC(=O)c1cccs1	782447736	ANRXYYQXZDDXNM-UHFFFAOYSA-N	308.359	1.553	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1cnn(C(C)C)c1	787812736	VEUYEFAHHOGEKO-NSHDSACASA-N	324.381	1.203	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1c[nH]cc(C)c1=O)c1ccccc1	781426532	QMMBTKCBIIHUIT-CYBMUJFWSA-N	313.357	1.638	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](C)OC[C@H]2CCCCO2)nc1	781527180	BPFAUFGPNWJWBF-DGCLKSJQSA-N	309.366	1.508	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCC(=O)N1CCC[C@@H](C)C1	1122492803	ZOSHZPJGSCJPSG-GFCCVEGCSA-N	312.414	1.012	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NN(C)c2ccccc2)cn1	783429887	QAFHRINJUWOVQC-UHFFFAOYSA-N	300.318	1.196	50	20	DDGD	
CCc1cncc(C(=O)NNC(=O)COCc2ccccc2)c1	789957356	SVTFZNWVJZIABH-UHFFFAOYSA-N	313.357	1.622	50	20	DDGD	
C#CCSCC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	895509613	WHQGRFGLIKEXFR-SNVBAGLBSA-N	310.350	1.107	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)C2=CCCCC2)c1	782446153	DKRPOCXGRYGJGY-UHFFFAOYSA-N	316.357	1.800	50	20	DDGD	
CCOC(=O)C1(CC(=O)NNC(=S)NC(C)(C)C)CCC1	789153120	NHQDGURAQBLGJL-UHFFFAOYSA-N	315.439	1.404	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)CCC(C)(C)O	786639902	UJWWZHSOKMRULS-UHFFFAOYSA-N	324.377	1.163	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2C[C@]23C(=O)Nc2ccccc23)nc(C)n1	895153684	KHQPQPFCFYQJSL-SJKOYZFVSA-N	323.356	1.447	50	20	DDGD	
Cc1cnn(C)c1C=NNC(=O)[C@H](C)Oc1ccccc1F	794879353	JIVJQNQWFOJKDH-NSHDSACASA-N	304.325	1.785	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)[C@H]1CCN(CC(F)(F)F)C1	792637023	BLJHUWVSIVYKEF-NSHDSACASA-N	321.343	1.598	50	20	DDGD	
Cc1cnn(C)c1C=NNC(=O)[C@@H]1COc2ccccc2O1	794859932	GFTFEPASILOLSN-AWEZNQCLSA-N	300.318	1.019	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1F)C(C)(C)n1cncn1	794471917	IXXAVCHDEAGKGN-UHFFFAOYSA-N	319.340	1.723	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NCC1C(C)(C)C1(C)C	793479866	ITFZGIZMMHWHNR-SNVBAGLBSA-N	315.414	1.051	50	20	DDGD	
CCN1CCN(CC(=O)NNC(=O)C(C)(C)C)c2ccccc21	1319384819	KQJABIDUWZFATA-UHFFFAOYSA-N	318.421	1.526	50	20	DDGD	
Cc1nc(N2CCOCC2)sc1C=NNC(=O)NCC1CC1	1318030302	PXLUIEPDSNTUDH-UHFFFAOYSA-N	323.422	1.331	50	20	DDGD	
C[C@]1(CO)CCCN(C(=O)NC[C@]2(C)C[C@H]2Br)C1	1328495602	XQMULVJCZJFXKL-WXHSDQCUSA-N	319.243	1.964	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNC(=O)c1ccc(OC)cc1	1320525733	MADDEFOFAKGQBS-UHFFFAOYSA-N	302.334	1.066	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cncc3ccccc23)nn1	1321645842	RMKWKFCEKVRZMB-UHFFFAOYSA-N	322.328	1.415	50	20	DDGD	
COC(=O)C(=O)NN=C(C)Cc1ccc(Br)cc1	1324253956	PBBWLFXNDIMYKP-UHFFFAOYSA-N	313.151	1.657	50	20	DDGD	
CCc1ccccc1OCCC(=O)NNC(=O)[C@@H]1CCCCO1	1324513014	UAVFIMHQGWFKLD-HNNXBMFYSA-N	320.389	1.734	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C[C@@H]1OCCc2ccccc21	1251877585	HEOOGHPDIRHXAG-ZDUSSCGKSA-N	307.419	1.594	50	20	DDGD	
O=C(CC1(O)CCC1)NNc1cncc(Br)c1	1330590788	RREOZVOTOKAWLU-UHFFFAOYSA-N	300.156	1.592	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H](C)c1ccc(F)cc1F	1339479655	MIAIOCJALGEKIJ-QMMMGPOBSA-N	301.362	1.972	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ccnc(OC)c1	1337472501	PJFKIYSSGNCSDH-UHFFFAOYSA-N	301.302	1.634	50	20	DDGD	
CC(C)c1nnsc1C(=O)NNC(=S)NCC1CCC1	1335978297	NGJNKWRKYHHTFB-UHFFFAOYSA-N	313.452	1.571	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cnc(C(F)(F)F)nc1	1336817713	SUBXQZJLIYMIMD-ZCFIWIBFSA-N	305.260	1.694	50	20	DDGD	
CCNC(=O)N(C)N=Cc1ccc(OCC(=O)OCC)cc1	1337041708	AFZGXVRGQXZLGW-UHFFFAOYSA-N	307.350	1.624	50	20	DDGD	
CC(C)Oc1cccc(CNC(=O)NNC(=O)c2cn[nH]c2)c1	1348084836	BOMVWRSPSIEEOB-UHFFFAOYSA-N	317.349	1.341	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)cs1	1347768862	ADWXIULACKNAOO-UHFFFAOYSA-N	315.358	1.296	50	20	DDGD	
Cc1cn2nc(C(=O)N(C)CC(Cl)Cl)cc2c(=O)[nH]1	1347068075	XYFNKTAQMORPBQ-UHFFFAOYSA-N	303.149	1.207	50	20	DDGD	
Cn1c(N)nc(Cl)c1C=NNC(=O)c1n[nH]c2c1CCCC2	1261235995	QBXFPTOXMQVOMJ-UHFFFAOYSA-N	321.772	1.022	50	20	DDGD	
COC(=O)c1cccc(C=NNC(=O)NCc2ccco2)c1	1340356349	FIUAUZILCLQRFT-UHFFFAOYSA-N	301.302	1.900	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@@H]1CCc2cc(-c3nn[nH]n3)ccc21	1604360093	BLHPVJVGOASDFL-FWLQQBITSA-N	324.344	1.414	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1c[nH]c(C(=O)O)c1)c1ccccc1	1604869982	SRJJVEDCBJMESR-GFCCVEGCSA-N	315.329	1.668	50	20	DDGD	
N#CSCCCNS(=O)(=O)c1ccc(F)cc1C(=O)O	1601079774	RBDIPGQUDRCFMP-UHFFFAOYSA-N	318.351	1.407	50	20	DDGD	
O=C(O)c1cc(OC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)ccc1[N+](=O)[O-]	1608857641	USCIPOLZVVEJCL-NZXMKCKXSA-N	305.242	1.424	50	20	DDGD	
C[C@@H](C(=O)O)N(C(=O)/C(C#N)=C\c1ccc(O)cc1)C1CC1	1609706616	ZVWMUBROTOVDFM-UVIKPUKZSA-N	300.314	1.763	50	20	DDGD	
O=C(O)[C@@H](CF)NC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	1601649626	LEOZKJTWEXIEIG-PRKAOEEVSA-N	308.147	1.479	50	20	DDGD	
O=C(O)C(=O)NN=C1CCOc2cc(Cl)cc(Cl)c21	1601637642	FZJFPLQPLQUZRQ-UHFFFAOYSA-N	303.101	1.681	50	20	DDGD	
O=C(/C=C/COc1ccccc1)NNc1ccc(C(=O)O)cn1	1608281134	FAQOOHYKEYXPDN-QPJJXVBHSA-N	313.313	1.858	50	20	DDGD	
N#C/C(=C/c1ccc(/C=C\C(=O)O)o1)S(=O)(=O)NC1CC1	1601044950	FLIWRIBOWBKOFY-VZVVJSHISA-N	308.315	1.324	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1cccc2nc(O)oc12	1606528377	CNJDSFSKRBUBAI-UHFFFAOYSA-N	314.257	1.384	50	20	DDGD	
C[C@]1(C(=O)NNc2ccc(C(=O)O)c(Cl)c2)CCNC1=O	1604488527	WELCGAQTMUFSBQ-ZDUSSCGKSA-N	311.725	1.008	50	20	DDGD	
C[C@@H]1COCC1=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccnn1C	1550194970	TWIGHSIPFGNNCL-GYSYKLTISA-N	306.366	1.026	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCCCC12CCNCC2	1579839618	OAEMBUSQAFMJIV-CYBMUJFWSA-N	319.409	1.039	50	20	DDGD	
C[C@@H]1CCCN(C(=O)NC[C@]2(C)C[C@@H]2Br)[C@@H]1CN	1576700589	UNIMHURYBCMRLY-DCQANWLSSA-N	318.259	1.929	50	20	DDGD	
Cc1ccc([C@@H](N)C(=O)NNC(=O)Cc2ccccc2O)cc1	1579668679	JTIFFFHKGFRUCV-MRXNPFEDSA-N	313.357	1.091	50	20	DDGD	
C=C(CBr)COC(=O)c1csc(C(=O)O)n1	1588605719	OHRMQHUQQALPOT-UHFFFAOYSA-N	306.137	1.949	50	20	DDGD	
N[C@H](C(=O)NNc1cc(O)nc2ncccc12)C1CCCCC1	1580114866	DHVHBMOTYCIQLF-AWEZNQCLSA-N	315.377	1.686	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843365314	JLIUFGYKTSUMIF-IUCAKERBSA-N	311.184	1.742	50	20	DDGD	
C=CCC(=O)N1CCCC12CN(C(=O)[C@@H](F)Br)C2	1846377571	TYUNINSQXOSHSM-SNVBAGLBSA-N	319.174	1.456	50	20	DDGD	
CO[C@@H](CC(=O)NNc1ccc(C(=O)O)c(F)c1)C(F)(F)F	1599044050	RPPUBGXDYNTJHZ-VIFPVBQESA-N	324.230	1.934	50	20	DDGD	
COCc1ccccc1/C=C(/C)C=NNC(=O)NCC(=O)O	1599297643	MJYLSSPOVCKXQH-QBQHGUDFSA-N	305.334	1.606	50	20	DDGD	
Cc1[nH]ccc1C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1591789654	HJONRAFMXYPPSH-UHFFFAOYSA-N	317.740	1.914	50	20	DDGD	
CN(C)Cc1cc(C(=O)NNc2ccccc2C(=O)O)no1	1598247183	PFGKASVACGSMGC-UHFFFAOYSA-N	304.306	1.191	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2ccc(F)cc2Cl)O[C@H]1C(=O)O	1599875737	CRIYUXMDANQIID-DIMCTHFVSA-N	316.716	1.800	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](C(=O)O)c1ccc(C)c(C)c1	1596862648	NVFRHAWXTPVWLE-XXYUJHKVSA-N	302.330	1.989	50	20	DDGD	
CNC(=O)/C(C#N)=C\c1cc(Br)cc(C(=O)O)c1	1776125587	MOBRKLFZNLHIRG-OQFOIZHKSA-N	309.119	1.800	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)c1ccccn1	14235913	DOGNDEFRNJHYRD-IINYFYTJSA-N	313.313	1.071	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2cnn(C)c2)c(C)c1	14807770	KNPPCNDKOCWMFJ-UHFFFAOYSA-N	303.391	1.668	50	20	DDGD	
O=C(NNS(=O)(=O)c1cccs1)c1c[nH]c2ccccc12	16148153	KQVTXDJDEJDHKN-UHFFFAOYSA-N	321.383	1.853	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=S)Nc1ccccn1	161717383	UYYZQUUDXIAQRN-UHFFFAOYSA-N	320.349	1.617	50	20	DDGD	
COc1ccc([C@@H](C)CC(=O)NNC(=O)c2cc(C)n[nH]2)cc1	153102710	XOSWMIJYWAUJLQ-JTQLQIEISA-N	316.361	1.682	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)Cc2ccc(O)cc2)n1	155819795	URLAITAFJZKLNJ-UHFFFAOYSA-N	315.377	1.714	50	20	DDGD	
C[C@H]1[C@@H](NS(=O)(=O)CCl)CCN1Cc1ccccc1	309836403	URSKOQXGXUAXIQ-AAEUAGOBSA-N	302.827	1.765	50	20	DDGD	
O=S(=O)(CBr)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	374713051	UWXIDHZDJSTOFO-HLTSFMKQSA-N	310.213	1.216	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1ccc(Br)c(C)c1	7405236	YZITWSSMDWDWRJ-UHFFFAOYSA-N	307.169	1.087	50	20	DDGD	
CC(C)(C)OC(=O)NNS(=O)(=O)c1cc(F)ccc1F	8105456	IBYKCZGGBAEAPJ-UHFFFAOYSA-N	308.306	1.683	50	20	DDGD	
COc1ccccc1NC(=O)NNC(=O)c1ccccc1O	8169336	NCLIWPIMMJNDOM-UHFFFAOYSA-N	301.302	1.867	50	20	DDGD	
O=C(NN=C1CCSc2ccc(F)cc21)C(=O)NC1CC1	8219587	AUKFRXYTMTUVID-UHFFFAOYSA-N	307.350	1.420	50	20	DDGD	
Cc1ccccc1OCCCNC(=O)NNC(=O)c1ccc[nH]1	105284941	BFSIJMYYQWKVHO-UHFFFAOYSA-N	316.361	1.736	50	20	DDGD	
O=C(C=C1CCCCC1)NNC(=O)[C@@H]1COc2ccccc2O1	55524929	XJNPKPMVUJIBFL-HNNXBMFYSA-N	316.357	1.864	50	20	DDGD	
O=C(CN1CCCCCCC1=O)NNc1ccccc1[N+](=O)[O-]	51453559	GDFJQGQVBBMFPM-UHFFFAOYSA-N	320.349	1.831	50	20	DDGD	
C[C@@H]1CCC[C@@](CNC(=O)NNc2ncccn2)(N(C)C)C1	52587727	SPXIXALYNDRRJZ-IUODEOHRSA-N	306.414	1.613	50	20	DDGD	
O=C(NNC(=O)c1ccc(C(F)(F)F)nc1)c1cccnc1	26219701	MHGWRZFHNJWFGE-UHFFFAOYSA-N	310.235	1.570	50	20	DDGD	
CC[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccncc1	177453575	SIAUIDZHKQASBJ-ZDUSSCGKSA-N	317.320	1.839	50	20	DDGD	
Cc1nnc(NNC(=O)CCCOCc2ccccc2)nc1O	51341889	HZPQYUAQBQFAJG-UHFFFAOYSA-N	317.349	1.326	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)CCCCc1ccccc1	111202832	UEWUUAJPEVOEOY-AWEZNQCLSA-N	305.422	1.887	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)COCC2CC2)cc1	65741616	RLKFKJWDHSADOQ-UHFFFAOYSA-N	306.362	1.202	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cc(=O)[nH]c2cc(F)ccc12	118959307	QLISVYMBHVYPLJ-UHFFFAOYSA-N	305.309	1.474	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1csc(C(C)(C)C)n1	171285426	HQBLXRKHSNODOB-UHFFFAOYSA-N	312.464	1.664	50	20	DDGD	
O=C(CN1C(=O)CCc2ccccc21)NNC(=O)c1ccccc1	110157756	UIMRKAQKCQQNTD-UHFFFAOYSA-N	323.352	1.427	50	20	DDGD	
C[S@@](=O)c1ccc(C(=O)NNc2nccnc2Cl)cc1	173614633	WVEOXFNLILYGGK-HXUWFJFHSA-N	310.766	1.624	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCOCc2ccccc2)n1	177569517	JPXTUIQZDQZSKQ-UHFFFAOYSA-N	315.377	1.936	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(Cn2ccnc2)cc1	64883115	RDXZCSZWDSBJDY-UHFFFAOYSA-N	315.377	1.676	50	20	DDGD	
Cc1nn(C)cc1[C@H](C)NC(=O)NNC(=O)c1ccccc1	69261792	QMFJAIMYOVTWHB-JTQLQIEISA-N	301.350	1.434	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1cccnc1)n1cnc2ccccc21	170902893	KSLWKCVTKZFCET-LBPRGKRZSA-N	323.356	1.382	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1ccc(N2CCCC2)cc1	66700070	ANYIHXDBAOFJTR-UHFFFAOYSA-N	320.393	1.154	50	20	DDGD	
CCOCCCC(=O)NNC(=O)Cc1nc2ccccc2n1C	60605935	XWKBFHNBUPNZEZ-UHFFFAOYSA-N	318.377	1.080	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)C(C)(C)C)N1C[C@H](C)O[C@H](C)C1	119615637	CXLKISDGAOZTJT-XQQFMLRXSA-N	313.442	1.314	50	20	DDGD	
C[C@H]1CC[C@H](CCC(=O)NNC(=O)CNc2ccccc2)O1	175103875	HMGAQEBDEQUIBL-GXTWGEPZSA-N	305.378	1.594	50	20	DDGD	
CCNC(=O)NNC(=O)c1c(-c2ccc(F)cc2)noc1C	65189928	SYUMRMFMVVGLJL-UHFFFAOYSA-N	306.297	1.753	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cnoc1C(C)C	1347102708	IEJDGPGCHUFVFS-UHFFFAOYSA-N	302.425	1.270	50	20	DDGD	
CCNS(=O)(=O)c1ccc(C(=O)NNc2ccccc2)cc1	111555099	QMQQBZQFVBEPSI-UHFFFAOYSA-N	319.386	1.742	50	20	DDGD	
CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@](C)(Cl)CCl	1800079183	OPJRJJBKEWWKNC-LSCVPOLPSA-N	307.221	1.881	50	20	DDGD	
CC(=NNC(=O)C[n+]1ccccc1)c1cccc([N+](=O)[O-])c1C	1344416242	OTSINTWTWCCFBY-UHFFFAOYSA-O	313.337	1.731	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)c1csnn1	79394106	JAJGZNJINNXJRU-UHFFFAOYSA-N	312.354	1.695	50	20	DDGD	
CC[C@@H]1C[C@@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCO1	182204209	HBTXRGSDUNNAPI-WCQYABFASA-N	321.333	1.561	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1c[nH]c2cccc(F)c12	185166524	RTUNLUBLCFORKW-UHFFFAOYSA-N	301.299	1.246	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(N)=O)c1C	121199541	QTQALXFXEFNHGK-UGMNDJHYSA-N	303.362	1.839	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)COCc2ccccc2)cc1	124481942	PUPXMOJLLLDJFW-UHFFFAOYSA-N	312.369	1.902	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1noc2c1CCCCC2	129887924	UFXQHLKRLSSMAF-UHFFFAOYSA-N	318.333	1.681	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@H](C)C[S@@](C)=O	183580486	MQZIHKYVAXNPOE-LADRHHBVSA-N	312.395	1.098	50	20	DDGD	
CCn1c(NNC(=O)CC[C@H](C)OC)nc2ccccc2c1=O	183025426	GOXPHDWNYZADQQ-NSHDSACASA-N	318.377	1.675	50	20	DDGD	
CCn1nc(C)c(NC(=O)NNC(=O)c2cccn2C)c1C	183652390	NAISAFGXDIWIOK-UHFFFAOYSA-N	304.354	1.325	50	20	DDGD	
CCN(CC)CCCNC(=O)NNC(=O)Cc1ccc(F)cc1	45550112	JDPHQZWGFIYCJM-UHFFFAOYSA-N	324.400	1.431	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(Br)c[nH]1	49143765	SLZMGICLNHWPBV-UHFFFAOYSA-N	303.160	1.521	50	20	DDGD	
C[C@H](Oc1cccnc1)C(=O)NNc1ncnc2ccsc12	132674929	XHEJPOXJLKSXDW-VIFPVBQESA-N	315.358	1.997	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNc1nc2ccccn2n1	191881807	BGAIXFRXDPLJOT-UHFFFAOYSA-N	306.329	1.896	50	20	DDGD	
Cc1ccnc(NNC(=O)CNC(=O)c2ccc(F)c(F)c2)c1	88425075	KYIWSVIHDGUJIY-UHFFFAOYSA-N	320.299	1.541	50	20	DDGD	
O=C(NCCCCCCO)NNc1ncnc2ccsc12	192711578	AJVWXZAPNNLRPB-UHFFFAOYSA-N	309.395	1.870	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2ccc(Cl)cn2)c1	134484195	SNZYMJKTINGROY-UHFFFAOYSA-N	319.748	1.883	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNC(=O)c2cccn2C)cc1	192897185	ACRXNAJSSTYSGW-UHFFFAOYSA-N	300.318	1.694	50	20	DDGD	
CC1(C)CN(CC(=O)NNC(=O)c2ccccc2)CC(C)(C)O1	190538586	RMKCZUSODDJSKX-UHFFFAOYSA-N	319.405	1.337	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(N)=C(C#N)C#N)c(-c2ccncc2)n1	141366982	VDAKDRUHKYCHGT-SDQBBNPISA-N	301.313	1.649	50	20	DDGD	
COC[C@H](NC(=O)NNc1nc(C)cc(OC)n1)c1ccco1	266928525	GVSGPCILGFVCRC-JTQLQIEISA-N	321.337	1.400	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNC(=O)COc1ccc(C)cc1	265822451	QTFKBLPBAFXHPB-LBPRGKRZSA-N	309.366	1.129	50	20	DDGD	
CN(CCNC(=O)NNC(=O)c1cc2ccccc2o1)C1CC1	267370967	SRDLXIZEIXXDTI-UHFFFAOYSA-N	316.361	1.471	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1c[nH]c2ccccc12)[C@@H]1CCOC1	266481940	CDCDQVVEENVCEU-WDEREUQCSA-N	316.361	1.537	50	20	DDGD	
Cc1cccc(N2N=C(C(=O)NNc3cccnn3)CCC2=O)c1	363182764	GCRKJFXICHSOLQ-UHFFFAOYSA-N	324.344	1.411	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1ccc(F)c(F)c1F	274245394	YKVBIJMYMFBNFQ-UHFFFAOYSA-N	317.267	1.236	50	20	DDGD	
COCCn1ccc2ccc(NC(=O)NNC(=O)C3CC3)cc21	274124984	NUDZYNSONRCEFE-UHFFFAOYSA-N	316.361	1.850	50	20	DDGD	
COC(=O)c1cc(OC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)ccc1[N+](=O)[O-]	369316976	HOTJRXILZNVTRQ-DYLAAIIWSA-N	321.285	1.854	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N(C)CCc2cnccn2)s1	271356713	IEOSMRSALFPXER-UHFFFAOYSA-N	319.390	1.375	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@H]1CCCN1C1CC1	278493983	HTNZAEUKHPCEMK-CQSZACIVSA-N	317.389	1.012	50	20	DDGD	
COC(=O)[C@H]1CC12CCN(C(=O)NCCSSC)CC2	367584269	ADHKUQUKTFKYPJ-SNVBAGLBSA-N	318.464	1.982	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NNc2nnc(C3CC3)s2)C1	277860908	BRDQYMRZLZERIL-MRVPVSSYSA-N	309.395	1.117	50	20	DDGD	
COCCOc1ccc(CC(=O)NNC(=O)OC(C)(C)C)cc1	277050917	HBSPFOLUWTUZOZ-UHFFFAOYSA-N	324.377	1.810	50	20	DDGD	
CCOC[C@@H](NC(=O)NNc1nc(C)cc(OC)n1)C(C)C	276866638	JBAWLPJTYFYAFR-LLVKDONJSA-N	311.386	1.481	50	20	DDGD	
O=C(NNc1ccccn1)N[C@@H]1CCCC[C@@H]1N1CCOCC1	370558151	NTJHAPDZAFGQCJ-KGLIPLIRSA-N	319.409	1.351	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=O)c2ccccn2)c1C1CC1	270847543	XESJZBHERGKYBE-UHFFFAOYSA-N	313.361	1.640	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccccc1O[C@H]1CCOC1	274324027	BOOMNYYDDYCSTQ-NSHDSACASA-N	322.365	1.552	50	20	DDGD	
Cn1nc2c(c1NC(=O)C(=O)NNc1cccc(F)c1)CCC2	275715185	NLNCTIDFERKCIO-UHFFFAOYSA-N	317.324	1.130	50	20	DDGD	
CNC(=O)NNC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1	271942338	UOVMVRDBQNICJY-UHFFFAOYSA-N	321.377	1.476	50	20	DDGD	
COC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)C(C)(C)c1ccccc1	286761418	ZIDOQAZPMWVIGQ-OLZOCXBDSA-N	318.373	1.311	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NNc1ccc(C(F)(F)F)nn1	281123046	IFFIKAPQBZDULD-YUMQZZPRSA-N	316.283	1.944	50	20	DDGD	
CN(NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)c1ccccc1	280918589	JDDNGSQARIQPOU-LBPRGKRZSA-N	313.423	1.118	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)Nc1cc2n(n1)CCCC2	287233515	FIFMZJCMECNUGK-UHFFFAOYSA-N	312.337	1.411	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H](OC)c2cnn(C)c2)c1	282574967	BYLUXIIOFVAQGP-CYBMUJFWSA-N	308.313	1.399	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	284943599	JZFGZDYXLWAUPX-BONVTDFDSA-N	307.325	1.680	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNc1nc2ccccc2[nH]1	807173789	OUSXUCKXWJRCBD-UHFFFAOYSA-N	304.350	1.985	50	20	DDGD	
O=C(CCn1cccn1)NNC(=O)Nc1ccc(Cl)cc1	802020325	RAQGKLNTDPYKEU-UHFFFAOYSA-N	307.741	1.780	50	20	DDGD	
C#Cc1ccc(CNC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	297528061	HZPPRAZBDNRFBX-FZMZJTMJSA-N	301.346	1.066	50	20	DDGD	
CCC[C@H](C(=O)NNC(=O)Cc1ccncc1)c1ccccn1	806996344	UHLQHEXZMVKKNG-AWEZNQCLSA-N	312.373	1.750	50	20	DDGD	
COc1ccc(C(=O)NNc2nnc[nH]2)cc1OC1CCCC1	298252697	FGIZYRNRAWTRLO-UHFFFAOYSA-N	317.349	1.892	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1cccc(F)c1Cl	806974305	DOVOCGFVQVKMNE-UHFFFAOYSA-N	301.705	1.221	50	20	DDGD	
COC(=O)C1(CNC(=O)NNc2ncccc2F)CCCCC1	805280526	DMUGUSDTDGJWRI-UHFFFAOYSA-N	324.356	1.970	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@@H]2c3ccccc3O[C@@H]2C)O1	297865692	FWORGOHXAWZOMQ-DJBIQUGXSA-N	319.361	1.407	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc(-n2ccnc2S)cc1	298559905	GZLOXANICPAQQU-UHFFFAOYSA-N	318.402	1.968	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2csc3c2CCCC3)O1	294179830	JLWBOCYFIFNUML-CABZTGNLSA-N	308.403	1.955	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC[C@@H](OC)C1CC1)c1ccccc1	296923974	OKMGILGLFJHIEL-LSDHHAIUSA-N	319.405	1.936	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNc2ccc3c(=O)[nH]ccc3c2)CCC1=O	803429659	IKARPSMIVBBTQK-PWSUYJOCSA-N	313.357	1.977	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H](NC(=O)NNc2ncc(F)cc2F)C1	298445311	SWYKQXPIAIUTKR-IONNQARKSA-N	314.292	1.328	50	20	DDGD	
Cn1cc(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)nn1	809680032	KBVYEWGXBCHRTJ-UHFFFAOYSA-N	319.712	1.275	50	20	DDGD	
C=C(CBr)CN1C[C@H](C)S(=O)(=O)[C@@H](CC)C1	805773227	OTNCNKXENBFESJ-QWRGUYRKSA-N	310.257	1.835	50	20	DDGD	
COCCOc1ccc(C(=O)NN(C)CCOC)c(Cl)c1	297002384	GVFMMFWZDOLDHQ-UHFFFAOYSA-N	316.785	1.588	50	20	DDGD	
COCc1cccc(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	292691006	QDOBPTNINPMSGS-GWCFXTLKSA-N	307.350	1.553	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN(c2ccccc2Cl)C1)NC1CC1	290537695	PBHJLRPHTZPJIZ-SNVBAGLBSA-N	322.796	1.659	50	20	DDGD	
CC[S@](=O)c1ccccc1C(=O)NNC(=O)NC1CCCC1	299339354	LYPDUKTVJPJFBX-QFIPXVFZSA-N	323.418	1.701	50	20	DDGD	
CC(=O)N(C)CC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	299136986	RUDMDBAUNPHHMK-UHFFFAOYSA-N	300.702	1.170	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1	296470772	WOVJSIJJRTUVSO-BYNSBNAKSA-N	314.389	1.343	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNc2ncncc2Cl)cn1	807323225	OKAXAPVQYZBFCD-UHFFFAOYSA-N	306.757	1.974	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1ccc2c(c1)C(=O)OC2	808888204	KZLNEGINDJWZLC-UHFFFAOYSA-N	300.274	1.152	50	20	DDGD	
CC(=O)CCc1ccc(OCC(=O)NNc2ccncn2)cc1	295475211	MTLMECPOVHTTTK-UHFFFAOYSA-N	314.345	1.520	50	20	DDGD	
COc1ccc(NNC(=O)NCc2ncnn2C(C)(C)C)nc1	800031537	YVTHBAXYZLTNGJ-UHFFFAOYSA-N	319.369	1.263	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1ccc(OC(F)F)nc1	802563028	AQGONFJNVYZWTB-UHFFFAOYSA-N	322.271	1.765	50	20	DDGD	
Cc1c(NNC(=O)c2ccoc2CC(N)=O)cccc1[N+](=O)[O-]	802830182	LZWMBXTZTYIEOL-UHFFFAOYSA-N	318.289	1.281	50	20	DDGD	
O=C(NNC(=O)c1cccc(-c2nc[nH]n2)c1)Nc1ccccc1	801990395	IFVLKWLJGRRJHR-UHFFFAOYSA-N	322.328	1.938	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cc2occc2s1	802028864	IKRIKTJCEMRVRS-UHFFFAOYSA-N	302.315	1.778	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccnc(OC2CCCCC2)c1	816772133	OJMBRRJYGVCUGN-UHFFFAOYSA-N	316.365	1.679	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@]2(C)CC2(F)F)cc1	817429296	NJHRIVXZQBUZPZ-AWEZNQCLSA-N	312.316	1.821	50	20	DDGD	
COc1c(C(=O)NNc2ncncc2F)cccc1[N+](=O)[O-]	817079208	MJVKUGMXYFVTKK-UHFFFAOYSA-N	307.241	1.289	50	20	DDGD	
CCCCOc1ccc(C(=O)NCC(=O)NN(C)C2CC2)cc1	819643282	WWUJOGQWKAGLSL-UHFFFAOYSA-N	319.405	1.721	50	20	DDGD	
CC(=NNC(=O)Cn1cnc2ccccc21)c1ccc(N)nc1	814729453	QCADPICRNVZQCQ-UHFFFAOYSA-N	308.345	1.554	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cnn2c1OCCC2	815953172	IYADNJPJQRHMFU-UHFFFAOYSA-N	316.317	1.209	50	20	DDGD	
O=C(O)[C@H]1CCN(S(=O)(=O)c2ccc(CCCl)cc2)C1	819292608	XXDLXYONCHNFIG-NSHDSACASA-N	317.794	1.563	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@](C)(O)C1CCC1	813365083	DFMDCLVPVHPLDB-HWPZZCPQSA-N	324.352	1.292	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1cccc(OCc2cccnc2)c1	816632961	HBOPPCFAVWMWGA-UHFFFAOYSA-N	310.317	1.536	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)CCN(C)C)cc1F	726443149	BWNJFDCQBCYLEB-UHFFFAOYSA-N	314.386	1.104	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=S)NCC2CCC2)cc1	727866168	SBPRLHSXSVXWDM-UHFFFAOYSA-N	320.418	1.554	50	20	DDGD	
Cc1cc(C(=O)NNc2ncncc2F)c2c(C)nn(C)c2n1	817080697	BFYJTDAHPVAZGP-UHFFFAOYSA-N	315.312	1.271	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccc(-c2ccco2)nc1O	817082149	OXAXPRANYQAQKW-UHFFFAOYSA-N	315.264	1.733	50	20	DDGD	
Cc1cc2ncc(C(=O)NNC(=O)CC(C)(C)C)c(C)n2n1	728608970	HSZOJKZGYULSNT-UHFFFAOYSA-N	303.366	1.543	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C1CCC1)N(C)C(=O)OC(C)(C)C	827216408	UUKVFZSZDHMPNM-NSHDSACASA-N	313.398	1.579	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNc1cccc(-c2nn[nH]n2)c1	823899256	RTUJBMFHUIIKJJ-SNVBAGLBSA-N	302.338	1.291	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)NCc1ncccn1	822970242	BWLNOGNLNXAXBU-UHFFFAOYSA-N	321.772	1.870	50	20	DDGD	
C[C@@H](CCc1cccn1C)NC(=O)/C(C#N)=C\c1cnn(C)c1	491051794	UEJRETPIIQFNLB-GRRFOWRYSA-N	311.389	1.803	50	20	DDGD	
Cc1ccccc1CCN(C)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	827267939	KMUZSQAOLDMULO-ZFWWWQNUSA-N	319.405	1.635	50	20	DDGD	
Cc1cc(NNC(=O)C[C@H]2COc3ccccc3O2)ncn1	825855663	YSPSHPVRZDRYKX-NSHDSACASA-N	300.318	1.458	50	20	DDGD	
COC[C@H](C)CNC(=O)NN=c1sc2ccccc2n1C	728958464	MMQYVLWGXCCIMC-SNVBAGLBSA-N	308.407	1.637	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc(OC(F)F)cc1F	820757981	OBZNAVLLTTUYPC-UHFFFAOYSA-N	302.252	1.988	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc[nH]1	495898673	WGMZITHOVLQVQB-GFCCVEGCSA-N	304.350	1.381	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccccc1OCc1cscn1	823983662	YXCIEOTWHYAUGB-NSHDSACASA-N	321.402	1.680	50	20	DDGD	
C/C(=C\c1ccc(Br)o1)C(=O)NN(C)[C@@H](C)CO	823907572	NFJLJYYGIUZIJR-ORZBULNSSA-N	317.183	1.789	50	20	DDGD	
CSc1nc(C(C)C)nc(C)c1C(=O)NN(C)[C@@H](C)CO	823977220	RBMRNYPEEUWCMB-VIFPVBQESA-N	312.439	1.588	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H]1CCc2n[nH]cc2C1	490974222	MVFLUKMSFOVVFV-YRBHFNIASA-N	308.341	1.696	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12	822969974	GQKIAIJJXYOMJX-OUAUKWLOSA-N	321.402	1.062	50	20	DDGD	
Cc1ccc(CN(C)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	827314942	LRTSMZRUOYYKPL-JSGCOSHPSA-N	305.378	1.593	50	20	DDGD	
COC(=O)[C@H](NNC(=O)C1CC1)c1cccc(C(F)(F)F)c1	905747643	QBRFPGYPZQKBSM-LLVKDONJSA-N	316.279	1.950	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc(CCC)cc1	901966844	TZFRYTFJKOBFDJ-UHFFFAOYSA-N	308.403	1.752	50	20	DDGD	
CCCCC[C@H](O)C(=O)NNc1ccccc1S(C)(=O)=O	827238813	YNUTXVFBWGAEPO-LBPRGKRZSA-N	314.407	1.474	50	20	DDGD	
CCn1ccc(NC(=O)NNC(=O)Cc2ccccc2C)n1	824943805	SXAOWPLHPGHHBA-UHFFFAOYSA-N	301.350	1.607	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1c[nH]c2ncccc12	826448206	LXDLOYDYSXLNMJ-UHFFFAOYSA-N	320.316	1.500	50	20	DDGD	
Cc1cccc(C=NNC(=O)[C@H](C)CN2CCOCC2)c1C	731151018	KRYVIKSPCFBYDR-CQSZACIVSA-N	303.406	1.722	50	20	DDGD	
CCc1c(C(=O)NNC(=O)Cc2ccccc2F)cnn1C	731328121	STDAGCKISOFCMS-UHFFFAOYSA-N	304.325	1.125	50	20	DDGD	
O=C(CCc1ccc(C(=O)O)cc1)NNC(=O)c1ccc[nH]1	739256300	RJDZOYUVITXFKE-UHFFFAOYSA-N	301.302	1.107	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@](N)(c1cccc(F)c1)C(F)(F)F	497252855	LRBOSTKCZBMVDK-NSHDSACASA-N	323.246	1.319	50	20	DDGD	
CN(C)C(=O)NN=C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C	496492025	PSFQTVPZIQBEOB-SNVBAGLBSA-N	314.386	1.615	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNC(=O)c2cccc(Cl)c2)CC1=O	839458042	YTSXYDGATHNRBF-NSHDSACASA-N	323.780	1.360	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNc2cc(C(F)(F)F)ccn2)CCN1C	832969013	UMJLDQOMYWCXPO-PSASIEDQSA-N	302.300	1.884	50	20	DDGD	
Cc1ccc(C2=NO[C@H](C(=O)NNC(=O)CC3CC3)C2)cc1	908447830	IPAYHOSJXVPWRL-AWEZNQCLSA-N	301.346	1.436	50	20	DDGD	
O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cccc(B(O)O)c1	584926556	SGGQORBTMJOVMB-DVOMOZLQSA-N	301.195	1.455	50	20	DDGD	
CC(=NNC(=O)COCc1ccccc1)c1cn(C)nc1C	737437548	XCLNUVOTJXLXCO-UHFFFAOYSA-N	300.362	1.786	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CC[C@H]2CCOC2)cc1F	837050214	GPRPLIHXPVFSIU-JTQLQIEISA-N	310.325	1.872	50	20	DDGD	
O=C(/C=C\c1cccc(O)c1)NNc1ccc(-n2ccnc2)nn1	492928026	WZIFMGYDKPOEPX-DAXSKMNVSA-N	322.328	1.524	50	20	DDGD	
C[C@@H]1CCCN(C(C)(C)CNC(=O)NNC(=O)C2CCC2)C1	732241738	DVBTUPHABVGJJG-GFCCVEGCSA-N	310.442	1.627	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc(OC)c1	831057957	UICXZEPLUIXLIC-ZANVPECISA-N	323.349	1.282	50	20	DDGD	
COc1cc(F)cc(C[C@@H](C)NCc2ccccc2B(O)O)c1	585044743	RSODMHXRXZZNJJ-GFCCVEGCSA-N	317.169	1.235	50	20	DDGD	
CCOC(=O)N1CC[C@H](NC(=O)[C@]2(C)C[C@@H]2Br)C1	907446994	PYTRIFZASCPHRB-HOTUBEGUSA-N	319.199	1.507	50	20	DDGD	
Cc1cccc(NC(=O)NNC(=O)COc2ccccc2O)c1	730818458	LJIQHIGEAPSIFI-UHFFFAOYSA-N	315.329	1.932	50	20	DDGD	
CCc1nc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)sc1C	831506871	YYHXJRKPEAJGOS-VXNVDRBHSA-N	312.395	1.592	50	20	DDGD	
CO[C@H]1CCOc2c(NCc3cccc(B(O)O)c3)cccc21	585038911	MTARSRXSLVOSKG-INIZCTEOSA-N	313.162	1.449	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)NNc1ccc(F)c(F)c1F	907097815	ZCABGGZKBWUNFJ-SECBINFHSA-N	301.268	1.558	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H]2CC23CCNCC3)cc1	831173854	SGNJLYWSLFRXJR-CQSZACIVSA-N	316.405	1.335	50	20	DDGD	
COC(=O)c1ccc(CNC(=O)[C@]2(C)C[C@H]2Br)o1	906701317	WVJJKWKELYCJNW-BXKDBHETSA-N	316.151	1.856	50	20	DDGD	
Cc1cc(NNC(=O)CCNC(N)=O)ccc1Br	734254820	JHBNBFFMMZJLFE-UHFFFAOYSA-N	315.171	1.259	50	20	DDGD	
CCCc1csc(NC(=O)NNC(=O)[C@@H]2CCCCO2)n1	836494764	SFAFEQKLTFYJCP-JTQLQIEISA-N	312.395	1.817	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNc2cccc(Br)n2)CO1	837213043	YTJMIBYSXUTBGR-YUMQZZPRSA-N	300.156	1.712	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)OCc2nc(C(C)(C)C)no2)cn1	837969669	QDGVCAHOYCWABI-WZUFQYTHSA-N	315.333	1.751	50	20	DDGD	
O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)c1ccc(B(O)O)cc1	584951180	VTSVPRGBDKNYSU-AEFFLSMTSA-N	323.201	1.508	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](c1ccccc1C)C1CC1	732894692	OXVYYTBLBWTQDQ-HNNXBMFYSA-N	305.378	1.813	50	20	DDGD	
CCC(C)(C)OCCNC(=O)NNC(=O)c1ccccc1O	838743688	YPYPGIYKJYLJGR-UHFFFAOYSA-N	309.366	1.541	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1)c1ncon1	832830112	HZZDYCKNFQOGCD-CHWSQXEVSA-N	314.345	1.490	50	20	DDGD	
CCCN1C(=O)C(=NNC(=O)C[n+]2ccccc2)c2ccccc21	916271481	TYZUQWMVAKPQPJ-UHFFFAOYSA-O	323.376	1.251	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1ccc(OC)o1	848367014	ARWZQPWGJPCTMP-UHFFFAOYSA-N	318.329	1.691	50	20	DDGD	
CC[C@@H]1CCC[C@H]1C(=O)NNc1ccccc1S(N)(=O)=O	842256876	KEWMBDXYIBEVMT-GHMZBOCLSA-N	311.407	1.603	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1snc(Cl)c1Cl	846231432	LHBMOZGLOTUYSU-YFKPBYRVSA-N	324.189	1.780	50	20	DDGD	
CN(NS(=O)(=O)CC[C@@H]1CCCO1)C(=O)OC(C)(C)C	841551949	QXSUUIRUPXYEKK-JTQLQIEISA-N	308.400	1.257	50	20	DDGD	
CC[C@@H](C(=O)NNc1ncc(Br)cn1)[C@H](C)O	848392045	UMDZXWNPFWBXBO-POYBYMJQSA-N	303.160	1.089	50	20	DDGD	
CCc1noc2ncc(C(=O)NNC(=O)c3ccccn3)cc12	918397274	BETLSSSLEDKBJP-UHFFFAOYSA-N	311.301	1.255	50	20	DDGD	
COCCn1cc(C=NNC(=O)Cc2ccccc2F)cn1	743442212	TXGSOZFBCCNPOD-UHFFFAOYSA-N	304.325	1.361	50	20	DDGD	
CC(=NNC(=O)CSc1nc(C)cc(C)n1)[C@@H]1CCOC1	741759545	BSBHSRWDJASXFV-GFCCVEGCSA-N	308.407	1.714	50	20	DDGD	
CC(=NNC(=O)Cn1cnc2ccccc21)c1ccc(O)cc1O	916273717	CMUXRNKGTYFYTF-UHFFFAOYSA-N	324.340	1.988	50	20	DDGD	
CCOC(=O)CC(=O)NNC(=O)c1ccc2ccccc2c1	913428708	PUYOBQORUKYZLH-UHFFFAOYSA-N	300.314	1.554	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)C2=CCCCO2)c1	843870258	BUIJZIHLWVVLBD-UHFFFAOYSA-N	304.350	1.918	50	20	DDGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1CCCN1C1CC1	842249755	PCWUZYYHURQUGA-LBPRGKRZSA-N	308.313	1.804	50	20	DDGD	
CN(NC(=O)c1ccc(F)c(C(=O)NN(C)C2CC2)c1)C1CC1	911296866	RCWQFTJZBRGBOF-UHFFFAOYSA-N	320.368	1.304	50	20	DDGD	
C=C(CBr)COC(=O)[C@H]1CC(=O)N(CCC)C1	840664102	AHMAAMNRIKYDON-JTQLQIEISA-N	304.184	1.739	50	20	DDGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2cnn(C)n2)cc1	840734900	KKUUEQCSQJIVAW-KAQJVSAMSA-N	311.345	1.608	50	20	DDGD	
COc1ccnc(NNC(=O)c2c[nH]nc2-c2ccccc2)n1	914861367	PRZGWAJTJBXUEJ-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
COc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843662562	UCHFWYDXZLAHGW-MHDGFBEUSA-N	318.373	1.371	50	20	DDGD	
CCCN1CCC(NC(=O)NNc2nc(C)cc(OC)n2)CC1	746772081	OWGDKESNEDEUGY-UHFFFAOYSA-N	322.413	1.294	50	20	DDGD	
CCn1ccc(CC(=O)NNc2ccc(F)c(C(=O)OC)c2)n1	846248011	COOHXTUEHSWHHE-UHFFFAOYSA-N	320.324	1.515	50	20	DDGD	
Cc1ncsc1C=NNC(=O)c1cc([N+](=O)[O-])ccc1O	743441636	LVWFQJQBLVFQOB-UHFFFAOYSA-N	306.303	1.829	50	20	DDGD	
CC1(C)CC(=NNC(=O)c2csc(N3CCOCC3)n2)CO1	841612566	LMSYHTSSDKGQNV-UHFFFAOYSA-N	324.406	1.264	50	20	DDGD	
COCCOc1ccc(C=NNC(=O)[C@H]2CCO[C@@H]2C)cc1	842552959	DATGJKYVKXWGQZ-DOMZBBRYSA-N	306.362	1.587	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2ncc(Br)cn2)CO1	848322234	UUZOYWWOCSDLRI-RQJHMYQMSA-N	301.144	1.107	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)C2=S=C3CCCC3=C2)[nH]1	747629000	YFPJPENVFMLZMR-UHFFFAOYSA-N	317.370	1.453	50	20	DDGD	
Cc1ccc2nc(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)ccc2c1	843657183	CFUIBUAQHPADJS-YPMHNXCESA-N	313.357	1.729	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC[C@H]1CCCNC1)c1ccccc1	841924156	VDWLHDNWJMRBCY-ZFWWWQNUSA-N	318.421	1.510	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNc1cc(F)c(F)c(F)c1	845858304	VYHUJXWBZAONAX-UHFFFAOYSA-N	303.284	1.709	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1ccc(C#N)cc1	843643589	MUVYQTSXNFANKC-RISCZKNCSA-N	301.346	1.063	50	20	DDGD	
CCn1c(C)cc(C=NNC(=O)C(=O)Nc2ccccn2)c1C	758388495	BOQCGFPCSRHMNY-UHFFFAOYSA-N	313.361	1.609	50	20	DDGD	
CN(C)C1CCN(CCNC(=O)NNc2ccccc2)CC1	759613940	HKXQUSCXBLUCML-UHFFFAOYSA-N	305.426	1.339	50	20	DDGD	
CCn1ncc(C)c1NC(=O)C(=O)NNc1ccc(C)c(F)c1	850704415	BFVPWOXUHLMGGS-UHFFFAOYSA-N	319.340	1.741	50	20	DDGD	
NC(=O)c1cccc(C=NNC(=O)c2ccc(O)c(Cl)c2)c1	755733921	JZCBQTJYMBCGLO-UHFFFAOYSA-N	317.732	1.908	50	20	DDGD	
CCc1cnc(O)c(C(=O)NNC(=S)N[C@H](C)C2CC2)c1	855095527	OUSJLPOAHQOJKH-MRVPVSSYSA-N	308.407	1.257	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@]23CCC[C@@H]2C3)cc1	929381853	RCZDYDYQDPIKAT-BDJLRTHQSA-N	301.346	1.271	50	20	DDGD	
O=C(NCCO[C@H]1CCOC1)NNc1c(F)cccc1Cl	927520968	FUYCYDYRCWMRCL-VIFPVBQESA-N	317.748	1.911	50	20	DDGD	
CC[C@H](C)CC[C@H](O)CC(=O)NNC(=S)N[C@H](C)C1CC1	855097151	KLHBUXZCGJUIEM-LOWVWBTDSA-N	315.483	1.858	50	20	DDGD	
C[C@H](C[S@@](C)=O)NC(=O)NNc1ccc([N+](=O)[O-])cc1F	853981930	QUNMLOJTKZZPTD-WODJRTHDSA-N	318.330	1.127	50	20	DDGD	
CCC1(C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)COC1	755048309	ASOJNHVGJYFXKR-CYBMUJFWSA-N	320.389	1.645	50	20	DDGD	
NC(=O)CC1(CNC(=O)NNc2ccc(Cl)cc2F)CC1	922929663	CKFVBUUGOZNDCE-UHFFFAOYSA-N	314.748	1.761	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)NC1CCC(F)(F)CC1	852708576	FHVULFUJKGZFLC-UHFFFAOYSA-N	316.283	1.743	50	20	DDGD	
O=C(CS(=O)(=O)C1CC1)NNc1cc(F)cc(Cl)c1	855621975	SCSZZSXMHBKWHE-UHFFFAOYSA-N	306.746	1.499	50	20	DDGD	
CCOC(=O)C[C@@H](O)COC(=O)/C(C#N)=C\c1ccccc1	859660339	OPPZMNLCKDMNET-YLHGKKIISA-N	303.314	1.451	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1nnn(C(C)(C)C)n1	853278389	AKCLAXRTPDUNLW-GFCCVEGCSA-N	321.429	1.000	50	20	DDGD	
CCn1cc(-c2n[nH]cc2C(=O)NCCCSC#N)cn1	854361128	OIFKANIVZDUFBV-UHFFFAOYSA-N	304.379	1.627	50	20	DDGD	
Cc1c(CNC(=O)NC[C@@]2(C)C[C@@H]2Br)cnn1C	856844490	MSYXXHLJRGQLAC-CMPLNLGQSA-N	315.215	1.701	50	20	DDGD	
COC(=O)c1oc(/C=C(/C#N)S(=O)(=O)NC2CC2)cc1C	853006503	HBCZFORSSGRFMV-WDZFZDKYSA-N	310.331	1.321	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc2c(c1)CCCC(=O)N2	854926199	WWSRSSFNVBUKLF-UHFFFAOYSA-N	306.391	1.042	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@]1(C)C[C@H]1Br	856900804	PIAGKOWWAUWORU-KCJUWKMLSA-N	306.204	1.536	50	20	DDGD	
Cc1c(CNC(=O)NC[C@@]2(C)C[C@H]2Br)cnn1C	856844493	MSYXXHLJRGQLAC-ZYHUDNBSSA-N	315.215	1.701	50	20	DDGD	
CO[C@H](CC(=O)NNC(=S)NCC1CCC1)C(F)(F)F	855092863	RUSUCLUWMOVCER-MRVPVSSYSA-N	313.345	1.249	50	20	DDGD	
Cc1cccc(CC(=O)NNC(=O)c2cccn2C)c1Cl	754160560	AHYWFBJGESQPLE-UHFFFAOYSA-N	305.765	1.991	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC12CCSCC2)c1cccc(F)n1	856428264	RYUKXEWWAZFJRM-VIFPVBQESA-N	309.366	1.515	50	20	DDGD	
CNC(=O)NC1CCN(C[C@H](CBr)C2CC2)CC1	1334994522	HKJFQCQSKQJYJI-NSHDSACASA-N	318.259	1.801	50	20	DDGD	
Cn1c(NNC(=O)CCNC(C)(C)C)nc2ccccc2c1=O	932752665	WERZMXSBOBELJA-UHFFFAOYSA-N	317.393	1.155	50	20	DDGD	
CCn1cccc1C=NNC(=O)CCCNC(=O)C(C)(C)C	853408858	ZRMGBGQRPSTNTJ-UHFFFAOYSA-N	306.410	1.901	50	20	DDGD	
COc1cc(CC(=O)NNC(=S)NCC2CCC2)ccc1O	855087081	DUQZWOLEVOYSCQ-UHFFFAOYSA-N	323.418	1.239	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(Cl)cn1)[C@H]1CN(C)CCO1	852220043	VJHBPOPHAYQESY-GXSJLCMTSA-N	313.789	1.080	50	20	DDGD	
O=C(COc1ccccc1O)NN=C1CCCn2nccc21	853351320	BERWHHKNTBVLAN-UHFFFAOYSA-N	300.318	1.282	50	20	DDGD	
CCn1ncnc1CNC(=O)NC[C@]1(C)C[C@H]1Br	856854644	OHRIRKXLUVATHS-KCJUWKMLSA-N	316.203	1.271	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cncnc1C1CC1)C1CC1	855094663	DCQWUCNVOVESHR-QMMMGPOBSA-N	305.407	1.261	50	20	DDGD	
CC(C)c1cccc2c1OCCC2=NNC(=O)[C@H]1CCC(=O)N1	863148074	SKPFOMRAWWJASI-CQSZACIVSA-N	315.373	1.691	50	20	DDGD	
COCCOCC(=O)NNC(=O)/C(C)=C\C1CCC(C)CC1	869906075	WBVXBONZXHZYRX-RAXLEYEMSA-N	312.410	1.569	50	20	DDGD	
CN1CC[C@@H](CNS(=O)(=O)CC(C)(C)CCl)CC1=O	867428817	QPERDKZQFLXOHQ-SNVBAGLBSA-N	310.847	1.039	50	20	DDGD	
C[C@@H](NNC(=O)c1coc(C2CCOCC2)n1)C(F)(F)F	862318094	MZVIFRJZUYGGJL-SSDOTTSWSA-N	307.272	1.754	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2ccc(OC(F)(F)F)cc2)N1	863146330	VZYJQIBVHMXHGJ-SNVBAGLBSA-N	315.251	1.314	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CSC2=N[C@@H](C)CS2)c1	766296977	HQAJSCDMDJXAJA-JTQLQIEISA-N	323.443	1.981	50	20	DDGD	
CC(C)[C@@H](C(=O)N1CC=C(C#N)CC1)N1C[C@@H](C)O[C@H](C)C1	767178747	VYKHGVMPCGPMFY-FMKPAKJESA-N	305.422	1.802	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NOCC(F)(F)F)c1	765988968	GNGKVUGHCCBBCE-UHFFFAOYSA-N	320.271	1.191	50	20	DDGD	
C[C@H](NNC(=O)Cn1cnc2sccc2c1=O)C(F)(F)F	862304828	FXXKCNWCIKNHBS-LURJTMIESA-N	320.296	1.030	50	20	DDGD	
COCc1ccc(C(=O)NNC(=O)CC(F)(F)F)cc1F	869018499	LKHKFBMFUVGYDT-UHFFFAOYSA-N	308.231	1.686	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CCc2c(C)n[nH]c2C)c1	862475285	FYICZZPWXPLTTO-UHFFFAOYSA-N	306.391	1.790	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)/C=C/c1cccc(Cl)c1	768882796	JSPFNVRMNYCSQR-SOFGYWHQSA-N	317.798	1.854	50	20	DDGD	
CCC[C@@H](C)N1C[C@@H](C(=O)NN=c2cc[nH]c(C)c2)CC1=O	862510794	TXJCYDOUCRAPDR-OLZOCXBDSA-N	304.394	1.292	50	20	DDGD	
COc1cc(C)ccc1NC(=O)C(=O)NNC(=O)OC(C)(C)C	765392682	ZTDZTFBAKQBGSH-UHFFFAOYSA-N	323.349	1.498	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)c2ccccc2)ccc1C#N	766551127	DAUFIIJCCQZWCX-UHFFFAOYSA-N	315.354	1.490	50	20	DDGD	
Cc1ccccc1OCCC(=O)NNC(=O)c1c[nH]nc1C	1116032024	SYZLTZUOHZPDKV-UHFFFAOYSA-N	302.334	1.257	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H](C)OCC2CC2)cn1	874954279	RPAYILJQUKICQO-SECBINFHSA-N	324.406	1.223	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccccc2)nc1Cl	766331566	APTWKMPUEBKFAY-UHFFFAOYSA-N	305.721	1.818	50	20	DDGD	
Cc1cc(=NNC(=O)NC2CCN(C3CCCC3)CC2)cc[nH]1	875345287	WWMWUSXLYVWMFZ-UHFFFAOYSA-N	317.437	1.845	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@](C)(OC)C1CC1	873770400	KPCAFJJAYJGKHH-OAHLLOKOSA-N	323.418	1.828	50	20	DDGD	
CCCCc1ccc(NC(=S)NNC(=O)CN(C)C)cc1	873782586	DKPKRIFOGNGGOR-UHFFFAOYSA-N	308.451	1.908	50	20	DDGD	
CC(=O)N1CC(C(=O)NNc2nc3c(C)cccc3s2)C1	1119049209	IANQLTKEOGKTBL-UHFFFAOYSA-N	304.375	1.526	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2cccc(S(C)(=O)=O)c2)CCC1=O	776526862	ABWIFRMYYUKHMC-QWRGUYRKSA-N	324.402	1.539	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cncc2ccccc12	772296693	QSAIKIJDXJIJOV-JTQLQIEISA-N	315.329	1.338	50	20	DDGD	
Cc1ccc(O)c2c1[C@H](C)CC2=NNC(=O)C(=O)NC1CC1	1115821609	UOLKSCQEVCFFGM-SECBINFHSA-N	301.346	1.307	50	20	DDGD	
COCCOCC(=O)NN=C1CC[C@H](C(=O)O)C(C)(C)[C@H]1C	872400711	PNFSVLIVJFENPV-WDEREUQCSA-N	314.382	1.279	50	20	DDGD	
CC[C@@H](Cc1cccc(C)c1)C(=O)NNc1nnc(C)c(O)n1	878038233	DEIGEIILNWCZHI-ZDUSSCGKSA-N	315.377	1.906	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@@H]1CCc2c(Cl)cccc21	775681026	AEAQXBJZUUMLPN-GFCCVEGCSA-N	323.780	1.443	50	20	DDGD	
C#CC[C@H](NCC(=O)NNC(=O)c1ccccc1)c1ccccc1	777719946	GPLQZMKLHSVBGM-KRWDZBQOSA-N	321.380	1.802	50	20	DDGD	
C[C@H](CC1CCCCC1)NC(=O)NNC(=O)c1cccnn1	883610358	TUDBEEIXHUOJIE-LLVKDONJSA-N	305.382	1.780	50	20	DDGD	
CN(C)CCN(Cc1ccco1)S(=O)(=O)CCCCl	881985060	WDWUWPUETXZVRK-UHFFFAOYSA-N	308.831	1.602	50	20	DDGD	
NC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)CCc2ccccc2)C1	786864697	VLRCWZCJFQOMLF-KBPBESRZSA-N	317.389	1.058	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCC(C)(C)C#N	781954405	UNQIZRKZXQGPLA-JTQLQIEISA-N	322.340	1.473	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2ccccc2OC)n1	784842157	IMAAZKCPFINWNB-UHFFFAOYSA-N	316.317	1.181	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCC(=O)N1CCc2ccccc2C1	786682083	ZKJGLXNPUNKZGA-SXGWCWSVSA-N	310.353	1.974	50	20	DDGD	
Cc1ccc(-c2nnco2)cc1NC(=O)NNC(=O)C(C)C	782572849	HRWFSENZAOXVIH-UHFFFAOYSA-N	303.322	1.854	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cccc2c1OCCCO2	883071529	DOCKEBGIFLSUIN-UHFFFAOYSA-N	320.345	1.036	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc(F)c2cccnc12	1120594654	QWLZIHLJRADLQJ-UHFFFAOYSA-N	302.309	1.728	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cn(C)nc1C(F)(F)F	785865129	YNUCWJQVMPLWHP-UHFFFAOYSA-N	308.264	1.137	50	20	DDGD	
C[C@@H]1CC[C@H](C(F)(F)F)CN1CC(=O)NNC(=O)C1CC1	780385404	IIPSNIGFQVAVDU-SCZZXKLOSA-N	307.316	1.207	50	20	DDGD	
C[C@H]1CC[C@@H](NC(=O)NNC(=O)Cc2cn3ccccc3n2)C1	780794041	FBVVLMMQUXJNCO-NWDGAFQWSA-N	315.377	1.396	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNC(=O)c1cc2c(s1)CCC2	891533933	HEEKFBGKZIGKMA-UHFFFAOYSA-N	318.402	1.662	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cccnc1-c1cnn(C)c1	786206450	AZPIVQWFOJGFKX-UHFFFAOYSA-N	316.365	1.681	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1ccccc1-c1ccno1	782249010	GZFPPKVTENUSKA-UHFFFAOYSA-N	323.374	1.697	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)c1cccc(N(C)C)c1	792838637	GDMHYJAHHMUXHI-SMDDNHRTSA-N	307.394	1.575	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cnc2c(F)cccc2c1	794246434	JOVUROUWKJTDRE-UHFFFAOYSA-N	302.309	1.728	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)CBr)c2cccnc2O1	272806066	MDFAULXQRWNGJY-SSDOTTSWSA-N	307.169	1.351	50	20	DDGD	
O=C(Cc1ccc2n[nH]cc2c1)NNC(=O)c1ccccc1F	792789606	LOGPZCXFOPFRQV-UHFFFAOYSA-N	312.304	1.706	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)C(C2CCC2)C2CCC2)n1	794620760	VGJBIQREPLWQAK-UHFFFAOYSA-N	318.421	1.864	50	20	DDGD	
CCOCC(=O)NN=Cc1ccnn1-c1ccccc1OC	797402770	NTCCLSQYFFPIQL-UHFFFAOYSA-N	302.334	1.368	50	20	DDGD	
COc1cc(NNC(=O)CCN2CCOCC2)ccc1Cl	790167682	FMIXDPYYYQZYGN-UHFFFAOYSA-N	313.785	1.514	50	20	DDGD	
C[C@@H]1COC(=O)C1=NNC(=O)c1cc(-c2cccs2)[nH]n1	794917804	IYLTUKPFANZDMZ-SSDOTTSWSA-N	304.331	1.417	50	20	DDGD	
Cc1cccnc1NNC(=O)NCc1nnnn1-c1ccccc1	791022907	BQWXXDPVGOOMNW-UHFFFAOYSA-N	324.348	1.192	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2cncs2)cc1C	798309589	IXFWTOOUBBEJKE-UHFFFAOYSA-N	318.358	1.160	50	20	DDGD	
Cc1nc(NC(=O)CCl)sc1-c1nnc(S)n1C	1319922133	WOXNTUPWMXDAMR-UHFFFAOYSA-N	303.800	1.713	50	20	DDGD	
CCn1nc(C(C)C)cc1C(=O)NNC(=O)c1ccncc1	1317821338	XHENNABTBAGJOB-UHFFFAOYSA-N	301.350	1.496	50	20	DDGD	
CC(=NNC(=O)C[N+](C)(C)C)c1ccccc1OC(F)F	1317703374	HEQJWXSDXIRPFK-UHFFFAOYSA-O	300.329	1.834	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H](C)N1CCc2ccccc21	1321711550	CFRAVMKULSNTEY-LLVKDONJSA-N	306.435	1.341	50	20	DDGD	
O=C(NCc1ccc2c(c1)CCC2)NNC(=O)[C@H]1CCCCO1	1326656820	JIANECAMQZZMMI-OAHLLOKOSA-N	317.389	1.575	50	20	DDGD	
Cc1ncc(C(=O)NNC(=S)N[C@H](C)C2CC2)c(C2CC2)n1	1329349838	MGYCYRMPIPUQPD-MRVPVSSYSA-N	319.434	1.570	50	20	DDGD	
CCCCCNC(=O)/C(C#N)=C\c1ccc(S(C)(=O)=O)o1	1325574214	MADWROKUYQXAQJ-LUAWRHEFSA-N	310.375	1.896	50	20	DDGD	
Cc1ncc(C=NNC(=O)C[n+]2ccccc2)n1-c1ccccc1	1321100118	VGUKMLFCWYYXLP-UHFFFAOYSA-O	320.376	1.619	50	20	DDGD	
Cc1nc(N(C)C)sc1C(=O)NNc1nccnc1Cl	1323544627	SNGGISBHORMLQZ-UHFFFAOYSA-N	312.786	1.718	50	20	DDGD	
CON=Cc1ccc(C(=O)NNc2nncc(N)c2Cl)cc1	1253123225	DFBKUPXDNSQQCS-UHFFFAOYSA-N	320.740	1.449	50	20	DDGD	
CCn1nc(C(=O)NNc2oc(C(C)C)nc2C#N)ccc1=O	1251761862	RMTYUJZTQZCVMB-UHFFFAOYSA-N	316.321	1.003	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)Cc2nnc(C)s2)n1	1330564776	JEHYOHJNIFBSNW-UHFFFAOYSA-N	320.378	1.036	50	20	DDGD	
CCCCN(C)C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1331099539	OIWRUWQYVQJQGA-JOYOIKCWSA-N	305.216	1.535	50	20	DDGD	
CCOCc1ccc(NC(=O)NNC(=O)c2cnccn2)cc1	1337801428	SXSYRUVTEBYGML-UHFFFAOYSA-N	315.333	1.480	50	20	DDGD	
CNc1nc(C(=O)NNC(=O)c2ccc(OC)cc2)cs1	1334734633	KFOYYYQWTJIESF-UHFFFAOYSA-N	306.347	1.268	50	20	DDGD	
Cc1ccc(NNC(=O)NCCC(=O)N2CCC[C@H](C)C2)nn1	1349175640	JWDKZGODZGAMNN-NSHDSACASA-N	320.397	1.060	50	20	DDGD	
CC(C)(C)OC(=O)CCCC(=O)NNc1nc2ccccn2n1	1261498561	IZTHDDVTWLMFPO-UHFFFAOYSA-N	319.365	1.684	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCC[C@@H](OC)C2)cc1	1343851687	WHYVGVOEQWRHDD-GXTWGEPZSA-N	306.362	1.661	50	20	DDGD	
Cn1cc(C(=O)NNc2ncncc2F)c(C(F)(F)F)n1	1347727288	BXNIXCTXELJPOT-UHFFFAOYSA-N	304.207	1.125	50	20	DDGD	
O=C(NNc1ncncc1F)c1coc(C2CCOCC2)n1	1347728022	IVJXGSRDXYSQQN-UHFFFAOYSA-N	307.285	1.255	50	20	DDGD	
COc1ccc(NNC(=O)Nc2cn(C)nc2C(F)F)nc1	1520399786	NHTUADOCZRJEKB-UHFFFAOYSA-N	312.280	1.910	50	20	DDGD	
O=C(NNc1cc(F)cc(F)c1F)c1ccc(-c2nn[nH]n2)[nH]1	1606853565	PZLRSIVZZHDWFP-UHFFFAOYSA-N	323.238	1.369	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNc2ccc(C(=O)O)cn2)cn1	1609671750	KACZUFPYOUVFGV-UHFFFAOYSA-N	315.333	1.624	50	20	DDGD	
Cc1cc(C)c(C(=O)O)cc1NC(=O)NNC(=O)c1ccc[nH]1	1600157061	JHQQWEDNDSFIGN-UHFFFAOYSA-N	316.317	1.796	50	20	DDGD	
O=C(NNc1cccc(F)c1C(=O)O)c1ccc2nonc2c1	1601560645	RLKTXALSWSWKLE-UHFFFAOYSA-N	316.248	1.817	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CCn3cncc3C2)cc1C(=O)O	1600461906	BXKURXRKZWTZAY-NSHDSACASA-N	314.345	1.595	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2Cc3ccccc3O2)c(F)c1	1602385690	YYHNXSAFXNTFMR-AWEZNQCLSA-N	316.288	1.971	50	20	DDGD	
O=C(COc1ccsn1)NNc1ccc(C(=O)O)cc1F	1601345455	IPDQHDGNUCQKCA-UHFFFAOYSA-N	311.294	1.503	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)cc1	1602129010	KDEZFDJMNDXYMU-VXGBXAGGSA-N	300.318	1.284	50	20	DDGD	
O=C(/C=C\c1ccncn1)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1610652213	UPPLGHJMCPXTJI-RJRFIUFISA-N	315.241	1.702	50	20	DDGD	
Cc1cnc(C=NNC(=O)[C@H]2CCCO[C@@H]2c2nccn2C)o1	1549312182	AAUKLKOSOCTLDI-AAEUAGOBSA-N	317.349	1.335	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1cc(C(=O)O)ccc1F	1610699514	FFSIUNQQJJSZNP-UHFFFAOYSA-N	318.264	1.001	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@](C)(CN)CC(C)C)c1	1579773020	SJSMOSNMYYMLIL-QGZVFWFLSA-N	321.421	1.532	50	20	DDGD	
O=C(NNc1cc(Cl)nc(Cl)c1)[C@H]1C[C@]12CCNC2	1580736876	AVDNSULOZXMBKH-PELKAZGASA-N	301.177	1.831	50	20	DDGD	
O=C(NNC(=O)[C@]1(c2ccccc2)CCNC1)NC1CCCC1	1580733012	LXYLCAVLQHNVOA-QGZVFWFLSA-N	316.405	1.191	50	20	DDGD	
O=C([C@H]1CCC=CO1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843364410	ITMCAGQYNWZRDS-GHMZBOCLSA-N	316.760	1.417	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NNc1ncccc1C(=O)O	1589323538	LPYZKDUVLBMWLY-AXFHLTTASA-N	306.366	1.484	50	20	DDGD	
CCc1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)n(C)n1	1597470355	PTTJYGLFKLTYLX-UHFFFAOYSA-N	319.273	1.808	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc(C(=O)O)c1)[C@H]1CCCNC1	1593101323	CHHRURZLYQNVAS-PWSUYJOCSA-N	306.366	1.399	50	20	DDGD	
Cc1ccc(C(=O)NN[C@@H](C)C(F)(F)F)cc1-c1nn[nH]n1	1592128117	LMBGEFQETSZJHK-ZETCQYMHSA-N	314.271	1.360	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=C1CCCc2ncc(C(=O)O)cc21	1776101872	BFXFZDAFHVTWEL-BXUZGUMPSA-N	317.345	1.361	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)=O	1795439541	SHPAHBSZGRUBPM-YVECIDJPSA-N	314.813	1.621	50	20	DDGD	
Cn1cc(Cl)cc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	12394079	RVRPPOHIWUSWMF-UHFFFAOYSA-N	322.708	1.662	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C(C)C)cc1Br	14892862	FGQSQZDLSNUCKV-UHFFFAOYSA-N	315.167	1.875	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)COc2cccc(C)c2)cn1	17199040	GQKOVGOVNPHMPL-UHFFFAOYSA-N	315.329	1.239	50	20	DDGD	
CC1(C)CCC(CC(=O)NNc2ccc(C(N)=O)nn2)CC1	162409698	DIJQZPWUDSTKAR-UHFFFAOYSA-N	305.382	1.625	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)c1ccc[nH]1	158856380	JPHAPNFHHCPKHP-NXEZZACHSA-N	305.284	1.858	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1cncn1-c1ccccc1	152801717	QXSUFQBDAQBIRI-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CSCc2c(C)noc2C)[nH]n1	153069773	BIERDDVTWALNOX-UHFFFAOYSA-N	323.378	1.017	50	20	DDGD	
C[C@H](NC(=O)c1cccs1)C(=O)NNc1ccc(C#N)cc1	155561977	QOHZQWQFMJEETJ-JTQLQIEISA-N	314.370	1.881	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2cccnc2)cnn1CC(C)C	157789722	AAAOPQMFOBAPFM-UHFFFAOYSA-N	315.377	1.571	50	20	DDGD	
COc1cccc(OC)c1CC(=O)NNC(=O)c1cccn1C	154903210	YARVOPRWWGLRMM-UHFFFAOYSA-N	317.345	1.046	50	20	DDGD	
CC(=O)NCCN(C)S(=O)(=O)c1ccc(CCCl)cc1	308154772	SSCFKQQZYDJQJK-UHFFFAOYSA-N	318.826	1.225	50	20	DDGD	
Cn1ccc(CCNS(=O)(=O)c2ccc(CCl)cc2)n1	312853241	MGNOELCTKFWPJI-UHFFFAOYSA-N	313.810	1.680	50	20	DDGD	
C[C@H](NS(=O)(=O)c1ccc(CCCl)cc1)C1(CO)CC1	696043561	HGSAPMKBKWPMBY-NSHDSACASA-N	317.838	1.907	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cccc(C2OCCO2)c1	763463676	RBRCORWWQSYXND-UHFFFAOYSA-N	308.334	1.902	50	20	DDGD	
CCOC(=O)c1c(NC=C(C#N)C#N)sc(C(=O)NC)c1C	7066977	SHBNUGHUTURJTK-UHFFFAOYSA-N	318.358	1.936	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cccnc1)c1ccc(F)cc1	103062730	SXEWWXBBOLQGCQ-UHFFFAOYSA-N	301.321	1.960	50	20	DDGD	
N#Cc1ccsc1C(=O)NNC(=O)Cc1ccc(F)cc1	52033893	UXACKHZBVRJURS-UHFFFAOYSA-N	303.318	1.763	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2ccccc2F)n1	53959588	LSTURKIUHZVVDS-UHFFFAOYSA-N	305.313	1.492	50	20	DDGD	
CC(C)n1nccc1NC(=O)NNC(=O)c1cccc(C#N)c1	103502138	WSEUOFDZIWQJQV-UHFFFAOYSA-N	312.333	1.802	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C[C@H](C)c1cccc(F)c1	116194991	DEJXZHWJQAJTAC-VIFPVBQESA-N	304.325	1.812	50	20	DDGD	
O=C(NNC(=O)[C@@H]1Cc2cc(F)ccc2O1)c1ccccc1O	175068697	BBTWQPIDVYUHIF-AWEZNQCLSA-N	316.288	1.296	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)NCCc1cccs1	66337406	GYUCNIZEESJTND-NSHDSACASA-N	311.407	1.602	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(C(=O)NC(C)C)cc2)ncn1	179391937	DNPPXMHAWGNUSD-UHFFFAOYSA-N	313.361	1.680	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@]2(F)CCOC2)c2ccccc2n1	1347497754	RAODFMKRSLLGEZ-INIZCTEOSA-N	317.320	1.433	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(OCC(F)F)nc2)ncn1	179526579	LSVPVAAFMLCSNE-UHFFFAOYSA-N	309.276	1.581	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F	116468974	LXHPVTCHKJLKIK-DTWKUNHWSA-N	311.357	1.750	50	20	DDGD	
Cc1ccsc1C(=O)NNC(=O)COc1ccccc1O	171606455	MWNCXPNNZVVXCG-UHFFFAOYSA-N	306.343	1.602	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1nnc(C2CC2)n1C1CC1	110103769	RBUZFJTYPDFHNI-QMMMGPOBSA-N	323.422	1.528	50	20	DDGD	
CC[C@H](CNC(=O)NC[C@@]1(C)C[C@@H]1Br)C(=O)O	1340566065	ABNHNIVDQJZEAS-VHSKPIJISA-N	307.188	1.570	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)c1ccc2nncn2c1	68052259	TXAYNKLQCKTIKK-UHFFFAOYSA-N	323.356	1.513	50	20	DDGD	
C[C@@H]1C[C@H](CC(=O)NNC(=O)C(=O)NC2CC2)CC(C)(C)C1	66601966	KETKTCZPDJFYPO-GHMZBOCLSA-N	309.410	1.265	50	20	DDGD	
CN(C)[C@H]1CCC[C@H](NC(=O)NNC(=O)c2ccccc2O)C1	176575871	UVCREMJRQRJBBC-RYUDHWBXSA-N	320.393	1.209	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)nc(C)n1	172373407	CWGSHMUWIKEZDZ-BMIGLBTASA-N	314.345	1.765	50	20	DDGD	
Cc1cccc2nc(C(=O)NNC(=O)c3ccc(C#N)cc3)cn12	61465544	UKKDYJKIZLOOND-UHFFFAOYSA-N	319.324	1.589	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)C(=O)Nc1cc(F)ccc1Cl	123159567	AOYKSCRTGUAFMW-UHFFFAOYSA-N	324.699	1.207	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2cc(C(F)(F)F)ccc2F)N1	128867901	CFYDUCKLWFXKQF-MRVPVSSYSA-N	305.231	1.566	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc2[nH]ccc2c1	124839496	VOZYNZAGYHVCLE-VIFPVBQESA-N	302.334	1.300	50	20	DDGD	
Cc1ccc(C)n1-c1c(C(=O)NNc2cccnn2)cnn1C	184777488	FLUBAPSKNFNZCN-UHFFFAOYSA-N	311.349	1.375	50	20	DDGD	
CCCc1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)cc1	184496297	VVSJIXGZYZQJOS-UHFFFAOYSA-N	305.378	1.771	50	20	DDGD	
CCOCc1ccc(CNC(=O)NNc2cccnn2)cc1	77343559	IUNMSIQMSLGZSZ-UHFFFAOYSA-N	301.350	1.839	50	20	DDGD	
CC(C)[C@H](NC(=O)c1ccco1)C(=O)NNc1ccnc(F)c1	182477230	PMSFGACSDKXKJD-ZDUSSCGKSA-N	320.324	1.711	50	20	DDGD	
O=C(CN1CCCC1=O)NNc1cc(C(F)(F)F)ccc1F	128671862	IEESTIGODGYMCA-UHFFFAOYSA-N	319.258	1.910	50	20	DDGD	
Cc1ccc(CN2C[C@H](C(=O)NNc3ccccn3)CC2=O)cc1	181214886	CSQWFOJTNGBLCK-OAHLLOKOSA-N	324.384	1.882	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)Cc2ccc(F)cc2)c1	181161136	TXRKVHIUGNECRD-UHFFFAOYSA-N	322.361	1.915	50	20	DDGD	
CCn1c(=O)n(CC(=O)NNC(=O)C(C)(C)C)c2ccccc21	77219818	FYIALHFSDLEUJY-UHFFFAOYSA-N	318.377	1.016	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1cc(C(C)=O)ccc1OC	138604688	BWTCUOLKGCVDIX-UHFFFAOYSA-N	321.377	1.571	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)NCCC2CC2)c1	74819993	QBUOFKNJHSYXQK-UHFFFAOYSA-N	305.378	1.813	50	20	DDGD	
CN(C)CC1(CNC(=O)NNC(=O)c2ccc[nH]2)CCCC1	185188240	LCNDRYYDDCZKQJ-UHFFFAOYSA-N	307.398	1.081	50	20	DDGD	
CC(C)c1c(C(=O)NN(C)C(N)=O)cnn1-c1ccc(F)cc1	181056284	HHJSCUVCPWLCBP-UHFFFAOYSA-N	319.340	1.790	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1C[C@@]12CCCc1ccccc12	186146756	XXOPVKDECBEJCE-MAUKXSAKSA-N	324.384	1.394	50	20	DDGD	
O=C(COC1CCCC1)NNC(=O)c1ccc2c(c1)OCO2	44278687	JNNFCGVDGMZJEW-UHFFFAOYSA-N	306.318	1.136	50	20	DDGD	
CCCSCC(=O)NNC(=O)COc1cc(C)ccc1C	48368494	PSWRWDWNYZSDAB-UHFFFAOYSA-N	310.419	1.973	50	20	DDGD	
CO[C@]1(C)C[C@@H](NC(=O)NNC(=O)Cc2cccnc2)C1(C)C	80604679	DANWHWDQINXXBD-MLGOLLRUSA-N	320.393	1.158	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1ccc(Cl)c(F)c1Cl	190185678	FWISFBPXTQMXMN-UHFFFAOYSA-N	317.125	1.682	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(C)c([N+](=O)[O-])c1	132067171	IFPHOIBBWIFOJY-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
O=C(NCCc1ccc(F)cc1)NNC(=O)c1ccccc1O	44254885	STSOIUFUMZFOTI-UHFFFAOYSA-N	317.320	1.718	50	20	DDGD	
O=C(NNC(=O)c1cccc(CN2CCCC2)c1)c1ccncc1	193465810	OBMAWSUOIJPNCV-UHFFFAOYSA-N	324.384	1.752	50	20	DDGD	
C[C@H]1CCCC[C@H]1OCC(=O)NNc1cc(Cl)nc(N)n1	133989249	JPMBMAWMOZEZQW-DTWKUNHWSA-N	313.789	1.751	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2csc(C3CC3)n2)cc1	194896681	UBCODCKWQYCNCE-UHFFFAOYSA-N	312.354	1.967	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc(Br)cn2C)n1	192995385	WISLCPGTUITEBA-UHFFFAOYSA-N	324.182	1.951	50	20	DDGD	
O=C(CCC(F)(F)F)NNC(=O)COCc1ccccc1	80394218	CXQWYPOPVNZZOR-UHFFFAOYSA-N	304.268	1.693	50	20	DDGD	
Cc1ccc(O[C@@H](C)C(=O)NNc2ncnc3[nH]cnc23)cc1	97595072	GMRAANFDOUDCAC-JTQLQIEISA-N	312.333	1.572	50	20	DDGD	
COc1ccccc1NCC(=O)NN=Cc1ccc(O)c(O)c1	254715003	NQTRQDGRGORPBY-UHFFFAOYSA-N	315.329	1.669	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Cc1ccccc1OC)N(CC)CC	265537008	QWDXBHWEFPNSJN-AWEZNQCLSA-N	321.421	1.506	50	20	DDGD	
C[C@H]1COCCN1C(=O)NNC(=O)c1cc2ccccc2o1	267634140	YQTNDGJXXFFJJQ-JTQLQIEISA-N	303.318	1.508	50	20	DDGD	
CNC(=O)NNC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1	265694659	ZNVBCCFBWGICPF-MRVPVSSYSA-N	303.284	1.844	50	20	DDGD	
CC(=O)N1CCC[C@H]1C(=O)NNC(=O)C(C)(C)c1ccccc1	264522677	AXRZBRVQCKPSKO-AWEZNQCLSA-N	317.389	1.123	50	20	DDGD	
O=C(CCC1CCC1)NNC(=O)Cn1cnc2ccccc21	267179732	HEAHIXYKAOCFQF-UHFFFAOYSA-N	300.362	1.764	50	20	DDGD	
Cc1nnc([C@@H](C)NC(=O)NNc2nc3ccccn3n2)s1	276664498	CSDYMNPJVSBPGY-SSDOTTSWSA-N	318.366	1.277	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H]2COC3(CCCC3)O2)nn1	271639065	ZNQLPQGLSITPKY-NSHDSACASA-N	307.354	1.097	50	20	DDGD	
C[C@H](C(=O)O)N(C)S(=O)(=O)c1ccc(CCCCl)cc1	270476956	KCEGJFOJPWXPDJ-SNVBAGLBSA-N	319.810	1.952	50	20	DDGD	
C[C@H]1C[C@@H](CNC(=O)NNC(=O)Cc2ccc(F)cc2)CCO1	271596231	KPSBHMXDUKXWFR-AAEUAGOBSA-N	323.368	1.514	50	20	DDGD	
CC1(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)COC1	272787655	ANBGFEQMOOXXEC-UHFFFAOYSA-N	308.725	1.870	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)n1	376017146	BPNKMBCTRHQQOV-YRRQLQLVSA-N	300.362	1.379	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)NCCCC#N	273209486	JORCEQSZNIPWPX-UHFFFAOYSA-N	320.349	1.098	50	20	DDGD	
COCCN(C)NC(=O)c1cn(CCOC)c2ccccc12	288424948	MSQREPGNSDTQID-UHFFFAOYSA-N	305.378	1.511	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCN1CCC[C@H](S(N)(=O)=O)C1	377579324	CIXPRHSYHXWLKB-LBPRGKRZSA-N	322.547	1.761	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H](C)[C@@H]2CCCCO2)n1	280216487	IQHIVKCVBMFBKA-YPMHNXCESA-N	306.366	1.292	50	20	DDGD	
CCCCCOCC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	283014105	YEENIEFVGHERJO-UHFFFAOYSA-N	321.377	1.288	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](C)C(F)(F)F)c(O)c1	288902275	SHTCGGRLSROUBV-ZETCQYMHSA-N	305.256	1.595	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cc([N+](=O)[O-])c(F)cc1N	283148409	BTBRTDPJVYMAGG-UHFFFAOYSA-N	314.273	1.486	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2c(C)ccnc2C)n1	287486312	KPCNZVJFPZPCDJ-UHFFFAOYSA-N	316.365	1.365	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)N1CCN(C)CC1)c1ccc(F)cc1	287740280	HOAGDCNTZKSCAU-LBPRGKRZSA-N	322.384	1.308	50	20	DDGD	
CC(C)(C(=O)NNC(=O)C[C@@H]1CCCC(=O)N1)c1ccccc1	289829315	TVNAXBKDHPIFFM-ZDUSSCGKSA-N	317.389	1.170	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1c[nH]c2ncc(Br)cc12	280137818	ZRXBVFGDFTZDLV-UHFFFAOYSA-N	323.150	1.496	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	297214581	XBWPASTWFHPNDJ-VHSXEESVSA-N	302.296	1.817	50	20	DDGD	
Cc1ccc(O[C@H](C)CNC(=O)NNc2ccncn2)cc1	296602568	VJHHSRRVDZQREW-GFCCVEGCSA-N	301.350	1.879	50	20	DDGD	
Cn1cc(CCC(=O)NNc2ccc3c(=O)[nH]ccc3c2)cn1	803439106	RYTJQHATPKNYNC-UHFFFAOYSA-N	311.345	1.338	50	20	DDGD	
CC(=O)NNC(=O)Nc1cc(C)n(-c2ccc(F)cc2F)n1	808894662	DJNOSUQGHNTOOF-UHFFFAOYSA-N	309.276	1.632	50	20	DDGD	
Cn1nncc1NC(=O)NNC(=O)c1cc2ccccc2o1	809910436	SGRVDPXXIBGNSJ-UHFFFAOYSA-N	300.278	1.028	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccnc(Cl)c1F	295559596	MPLCWWYKQXXNHG-MRVPVSSYSA-N	301.705	1.204	50	20	DDGD	
CC(C)CC(=O)Nc1ccc(C(=O)NNc2nnc[nH]2)cc1F	294019399	USVCLYSGABTWGY-UHFFFAOYSA-N	320.328	1.685	50	20	DDGD	
CN(NC(=O)c1cnc(C2CC2)nc1N)C(=O)OC(C)(C)C	298470332	UBIGLBSICSZKNA-UHFFFAOYSA-N	307.354	1.448	50	20	DDGD	
CC[C@H](C)[C@@H](CNC(=O)NNC(=O)c1ccccc1F)OC	296680816	BIMYCEUYKUFSSO-GXFFZTMASA-N	311.357	1.831	50	20	DDGD	
COc1ccc(CCC(=O)NN=Cc2cn(C(C)C)nn2)cc1	807965425	WHQGLAQSJWGGKN-UHFFFAOYSA-N	315.377	1.951	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CC(C)(C)CC(C)=O	807368741	JZQGIWPRLKGVJA-UHFFFAOYSA-N	316.398	1.318	50	20	DDGD	
Cc1nn(C)c(-n2cccn2)c1C(=O)NNc1cccc(F)n1	804773628	YEVMHRPATFTVMQ-UHFFFAOYSA-N	315.312	1.205	50	20	DDGD	
CCOc1cccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)c1	296422607	NBAVHFKJXPPRLN-ZDUSSCGKSA-N	307.350	1.807	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cncc(C(F)(F)F)c1	808385612	PWWJCEYTABFOLG-UHFFFAOYSA-N	315.173	1.814	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNC(=O)c1cc2c(s1)CCC2	806342551	MPSIEERZIXFHSB-UHFFFAOYSA-N	317.370	1.219	50	20	DDGD	
CC(=NNC(=O)Cn1cnc2ccccc21)c1cn(C)c(C)n1	800806425	GCOJCJBSCNRBOE-UHFFFAOYSA-N	310.361	1.619	50	20	DDGD	
CN(NC(=O)c1ccccc1-n1ccnn1)C(=O)OC(C)(C)C	297213832	LLQJXKLMPOFSMS-UHFFFAOYSA-N	317.349	1.779	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)C1(c2ccccc2F)CC1	802024161	JQPRGNPTUNRITQ-UHFFFAOYSA-N	314.320	1.527	50	20	DDGD	
O=C(NNC(=O)c1ccc(-n2ccnc2)nn1)Nc1ccccc1	801992107	YTIZGESSXCWQEQ-UHFFFAOYSA-N	323.316	1.129	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2ccc(Cl)cc2)nc1	815588043	BFNSTHRGJNCMMN-UHFFFAOYSA-N	315.720	1.688	50	20	DDGD	
O=C(O)C1CCC(=NNC(=O)[C@H]2COc3ccccc3O2)CC1	814700683	AULLVEKWIQDMRZ-LNUXAPHWSA-N	318.329	1.573	50	20	DDGD	
O=C(CCNC(=O)C1CCCCC1)NNc1ncncc1F	817079801	LSWNLPCALKOOHJ-UHFFFAOYSA-N	309.345	1.145	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(C#N)cc(N(C)C)c2)o1	814410359	IKNULCNPMGZCTK-UHFFFAOYSA-N	312.329	1.601	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C)c(C)c1)c1cc(CO)on1	812223806	NFLLTMIYUFTWPC-UHFFFAOYSA-N	317.345	1.703	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN(c2ccccc2F)C1)C1CCCC1	810097335	HBAVFBODANFLPM-CYBMUJFWSA-N	319.380	1.990	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ncoc2C(F)(F)F)n1	816837280	PRHOPYITNKMOPT-UHFFFAOYSA-N	301.228	1.857	50	20	DDGD	
CN(NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1	819640830	FVNFYIKALXBWFA-UHFFFAOYSA-N	318.377	1.937	50	20	DDGD	
COc1ccc(CC(=O)NNc2ncncc2F)cc1[N+](=O)[O-]	817083783	SNTILFOGXBPPQQ-UHFFFAOYSA-N	321.268	1.218	50	20	DDGD	
COc1ccc(S[C@H](C)C(=O)NNc2cnnn2C)cc1	816771666	VWDUDNNFXRBIMZ-SECBINFHSA-N	307.379	1.448	50	20	DDGD	
CC(C)N(C)C[C@H](C)NC(=O)NNc1cncc(Cl)n1	812509482	HGCHHIWSYKOCCW-VIFPVBQESA-N	300.794	1.485	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)COc1ccccc1C#N	811632778	CRKNYGCKDPAHKY-ZDUSSCGKSA-N	314.345	1.098	50	20	DDGD	
COCc1ccc(C=NNC(=O)COc2ccccc2O)o1	814951383	ZVZQNBFMXCVUFG-UHFFFAOYSA-N	304.302	1.661	50	20	DDGD	
O=C(NNC(=S)Nc1ccc2c(c1)OCCCO2)NC1CC1	727279350	MOKMSXFXYQHVQC-UHFFFAOYSA-N	322.390	1.511	50	20	DDGD	
O=C(CS(=O)(=O)C1CC1)NNc1ccc2ccccc2n1	828603525	FEFRVOWEAYSSBY-UHFFFAOYSA-N	305.359	1.255	50	20	DDGD	
C[S@](=O)C1(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)CCC1	491176744	RNDKSNRTPZDXQU-BPRLYGGPSA-N	318.398	1.717	50	20	DDGD	
CCCCOCCNC(=O)NNC(=O)c1cccc(C#N)c1	728950871	KECFFXRCBRXNIS-UHFFFAOYSA-N	304.350	1.319	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(C(=O)C(C)(C)C)CC1(C)C	490810863	BYCLWRJOZLRKKH-QBFSEMIESA-N	321.421	1.926	50	20	DDGD	
Cc1cccc(NC(=O)CSCC(=O)NN(C)C2CC2)c1	822434115	ODOTVOKQYRIOFV-UHFFFAOYSA-N	307.419	1.792	50	20	DDGD	
Cc1ccc(C(=O)NNc2ncnc3[nH]cnc23)c2c1CCC2	825954586	XISHZAGBROYZCZ-UHFFFAOYSA-N	308.345	1.907	50	20	DDGD	
CCC1(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)CC1	825164743	IBRNUAZRPBCOCR-UHFFFAOYSA-N	307.745	1.548	50	20	DDGD	
C[C@H]1CC(=NNC(=O)CCNC(=O)OC(C)(C)C)CCN1C	495185612	BMPYIIRRENTHAT-NSHDSACASA-N	312.414	1.488	50	20	DDGD	
O=C(/C=C\c1ccc(O)cc1)NNc1nc(-c2ccncc2)no1	492486271	FQCCRFBQBKKZIS-UTCJRWHESA-N	323.312	1.994	50	20	DDGD	
Cc1c(C(=O)NN(C)[C@@H](C)CO)csc1Br	823935667	VEMMEPWJEPSXSX-LURJTMIESA-N	307.213	1.776	50	20	DDGD	
Cc1cccnc1C1(CNCc2ccc(B(O)O)cc2F)CC1	585042931	HOOHXHZGKPQEPU-UHFFFAOYSA-N	314.169	1.030	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC1(F)F)c1cc(Br)c[nH]1	822234438	TZCFUWNJYRPESC-YFKPBYRVSA-N	308.082	1.193	50	20	DDGD	
O=S(=O)(CCl)NC1CCN(CCc2ccccc2)CC1	829957727	YEKSVMMXAWZDNU-UHFFFAOYSA-N	316.854	1.809	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCC2(CO)CCC2)cc(C#N)n1C	588432450	GKTQYWSMXZNHHV-NSIKDUERSA-N	312.373	1.391	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1cc(F)ccc1F	825937789	CAODQYBUVDLYBJ-LDYMZIIASA-N	313.304	1.220	50	20	DDGD	
CC(C)C(=O)NNC(=O)CSCC(=O)OC1CCCCC1	829501629	NYBIQTURSCVMGG-UHFFFAOYSA-N	316.423	1.399	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1C[C@H]1C1CCCCC1	826075940	HSURPULAJQMPFV-PYJNHQTQSA-N	309.410	1.711	50	20	DDGD	
CCC1(C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)CC1	494333583	NYJYAMOEXWKODA-UHFFFAOYSA-N	313.398	1.629	50	20	DDGD	
Cc1cccc2c1O[C@@H](C(=O)NNC(=O)NCC(F)(F)F)C2	831754497	QXDGDRYGJFSSMK-SECBINFHSA-N	317.267	1.191	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1CCCC2(CCCC2)C1	584979476	VCCYSQDRBDVMNH-UHFFFAOYSA-N	305.158	1.302	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cccc(COC(C)C)c1	495443677	TZLXNMXELWDTCU-UHFFFAOYSA-N	323.349	1.327	50	20	DDGD	
CC1CCC(N2C[C@H](C(=O)NNC(=O)C3CCC3)CC2=O)CC1	732142187	UYTUZRSTEXFHOY-HRDQMINSSA-N	321.421	1.361	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)NNc2cccc(C(=O)O)c2)C1	833393577	RGRSWDKRNRDTRC-HNNXBMFYSA-N	305.334	1.086	50	20	DDGD	
OB(O)c1ccc(CNC[C@H]2CCCN2Cc2ccccc2)cc1	585027544	BEWYTTRZJVRCIF-LJQANCHMSA-N	324.233	1.121	50	20	DDGD	
CO[C@@H]1CCC[C@H](Cc2nc(-c3cccc(B(O)O)c3)no2)C1	585051676	CDOIRPZRBHATGW-SMDDNHRTSA-N	316.166	1.164	50	20	DDGD	
CCOC(=O)[C@H](C)N(C)S(=O)(=O)c1ccc(CCl)cc1	908320026	UAJVWLPIBYTSES-JTQLQIEISA-N	319.810	1.998	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CSC[C@@H](C)C(=O)O	832977307	IFWWDEOWOKGMPP-LLVKDONJSA-N	324.402	1.139	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNc1ccncn1)c1cccnc1	836342973	ZSIGKEDFYONXBT-CYBMUJFWSA-N	300.366	1.938	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)C2CCC2)cc1C	837314730	HNXXXBSAHGLYFK-LBPRGKRZSA-N	317.389	1.826	50	20	DDGD	
CCc1nc[nH]c1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	905108504	SFRGLGLERGOCME-UHFFFAOYSA-N	316.405	1.950	50	20	DDGD	
Cc1nonc1C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	735841118	RSCZMWVTOROCRW-SSDOTTSWSA-N	320.374	1.639	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C(F)(F)C(F)F)c(F)c1	837207355	LNTXXJAFYPTDKG-UHFFFAOYSA-N	312.194	1.956	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1ccccn1)C(=O)c1ccccc1	732749528	AZSSVFZQDGQTCX-GFCCVEGCSA-N	311.341	1.752	50	20	DDGD	
COc1cc(F)cc(C[C@@H](C)NC(=O)NNc2ccncn2)c1	836669189	JEBNCWLJVPLPKG-SNVBAGLBSA-N	319.340	1.882	50	20	DDGD	
CC(C)(C)[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)c1ccco1	584946900	ADFXOADGKWMYJG-AWEZNQCLSA-N	319.141	1.616	50	20	DDGD	
O=C(NCCC1CC1)NNC(=O)Nc1ccc2c(c1)OCO2	836331779	OKNBZMDSMNYMSL-UHFFFAOYSA-N	306.322	1.551	50	20	DDGD	
C[C@@H](NCc1cccc(B(O)O)c1)[C@@H]1CCCN(C2CCC2)C1	585034294	HQLGVVZWDDKYCZ-GDBMZVCRSA-N	316.254	1.109	50	20	DDGD	
CC(C)(C)OC(=O)C1(C(=O)NNc2cnccn2)CC=CC1	832395759	RFWMGZLQDOLFIB-UHFFFAOYSA-N	304.350	1.598	50	20	DDGD	
O=C(CN1CC[C@@H](C2CCC2)C1)NNC(=O)c1ccc(F)cc1	839675622	HGRYDLQDIKIHEL-CQSZACIVSA-N	319.380	1.709	50	20	DDGD	
COc1ccc(OC)c2c1CN(S(=O)(=O)CCl)C[C@H]2O	830599213	JZGZPIJWRCEIMK-SECBINFHSA-N	321.782	1.079	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@H](C)CC(=O)O)cc1	832958312	ZFIAKKDCNUQRRK-SNVBAGLBSA-N	310.375	1.345	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1cc(F)c(F)c(F)c1	836422690	SSPGDOVQCLFSOC-JTQLQIEISA-N	317.267	1.826	50	20	DDGD	
CCCN(CC)C(=O)c1ccc(C(=O)NN(C)CCOC)cc1	837621911	BJNCBQDULAJAIF-UHFFFAOYSA-N	321.421	1.782	50	20	DDGD	
CCCNC(=O)NN=C[C@H](C)c1ccc(S(C)(=O)=O)cc1	834949127	ZJDGYMSDRPAVQR-NSHDSACASA-N	311.407	1.889	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H]2CCn3ccnc3C2)cc1	838561502	IEFQHGUDQBAHDP-CYBMUJFWSA-N	315.377	1.923	50	20	DDGD	
Cn1ncc(C2CC2)c1C(=O)NNC(=O)c1cccc(Cl)n1	912506753	IVNDCAGRUCJRBR-UHFFFAOYSA-N	319.752	1.421	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2cc3c(cn2)CCC3)n1	836701670	DWYNMASYFRDWEF-UHFFFAOYSA-N	311.345	1.740	50	20	DDGD	
Cn1ccnc1[C@@H]1N(C(=O)NNC(=O)C2CCCC2)CC1(C)C	836426031	FRUWKQYGAJDCAK-LBPRGKRZSA-N	319.409	1.734	50	20	DDGD	
CO[C@](C)(C1CC1)[C@H](C)NCC(=O)NNC(=O)c1ccccc1	839636796	BPHVWLIEPXDPEX-SJCJKPOMSA-N	319.405	1.241	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NCC(C)(C)C#N)cc1	838541215	BBULZCMJZOFANS-UHFFFAOYSA-N	305.338	1.581	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cn(C)nc1-c1ccncc1	745867653	BTILZHLBMMZPTF-UHFFFAOYSA-N	316.365	1.226	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cn(C)nc1-c1ccccc1Cl	910167058	GHCNUSBZCYKZKP-SNVBAGLBSA-N	322.796	1.698	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C[C@]2(OC)CCOC2)c1	841609415	ATFPSRVUWHFCPY-OAHLLOKOSA-N	308.334	1.225	50	20	DDGD	
CSc1nc(O)c(C(=O)NNC(=O)CC(C)C)cc1C#N	913654823	SZXNHJOEPXEAGJ-UHFFFAOYSA-N	308.363	1.188	50	20	DDGD	
CC(C)c1ncc(Cl)c(C(=O)NNC(=O)CC(F)(F)F)n1	744326989	XCSUNNDTPSJYAY-UHFFFAOYSA-N	324.690	1.967	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)c1ccc2nnnn2c1	748661229	NDCGIPRKJZOCCX-UHFFFAOYSA-N	320.259	1.483	50	20	DDGD	
O=C(NNC(=O)[C@@H](C[C@H]1CCCO1)C(F)(F)F)NC1CC1	845297301	TYPYMDHVXAOHTM-RKDXNWHRSA-N	309.288	1.227	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C(F)(F)F	742469466	BXEWXAHADHRUCX-XVKPBYJWSA-N	318.251	1.172	50	20	DDGD	
COc1cccc(SCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	843647330	SQSAOCJVLWISLR-GXFFZTMASA-N	324.402	1.360	50	20	DDGD	
CC(C)NCCC(=O)NNc1ncc(Br)cn1	848436203	JUMTXKJZMLRQCP-UHFFFAOYSA-N	302.176	1.070	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc2c1ccn2C	843647763	NOTIWFKXKYWQIY-QWRGUYRKSA-N	301.346	1.364	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1cn(C)nc1C	917535152	XZLGCDLNQRHXGV-HNNXBMFYSA-N	314.345	1.409	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)c2ccc3ccccc3c2)CN1	918110902	YCJRFOBHCFTXHJ-CQSZACIVSA-N	311.341	1.127	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)[C@@H](C)CN1CCCCCC1	749759925	AWXLYUFPCBUQTM-QWHCGFSZSA-N	314.499	1.792	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1nc2ccccc2[nH]1	843643226	CFXSUKLXHLLHHU-QWRGUYRKSA-N	316.361	1.068	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H]2CCC(=O)C2)c1	843752981	GYKUZICIPXBJEA-GFCCVEGCSA-N	304.346	1.199	50	20	DDGD	
CC(C)C(=O)NCCNC(=O)NNc1cc(F)ccc1F	913901542	WSBCJMQRNTZZFG-UHFFFAOYSA-N	300.309	1.363	50	20	DDGD	
Cn1cc(/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)nn1	741467763	BPMSLULIUAUJTG-SDQBBNPISA-N	308.750	1.807	50	20	DDGD	
Cc1nc([C@H](C)OC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)n[nH]1	840195807	DPJZJAIZHIDGNL-QWGQVVDNSA-N	324.344	1.843	50	20	DDGD	
Cc1ccc(CCCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)s1	843651778	FQZBUTAYJFFDOY-DGCLKSJQSA-N	310.419	1.952	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)[C@@H](C)OCCOC)C12CCCC2	748260726	XBXNPKHRFDFHBP-TZMCWYRMSA-N	312.410	1.879	50	20	DDGD	
C[C@@H]([C@H](C)C(=O)NNc1cccc(F)c1F)S(C)(=O)=O	841408497	LMHJCMPYPXFGSZ-YUMQZZPRSA-N	306.334	1.477	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccccc1F)C(=O)OC(C)(C)C	840240115	XINJTNPAOLZMHL-SECBINFHSA-N	310.325	1.565	50	20	DDGD	
CCNCCCNC(=O)NNC(=O)Nc1ccc(OC)cc1	841917932	XKNIHALHSHGNPZ-UHFFFAOYSA-N	309.370	1.031	50	20	DDGD	
O=CN1CCC[C@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	854677759	OFISDULQPYBQPC-VIFPVBQESA-N	302.256	1.164	50	20	DDGD	
CCC(=CC(=O)OCC(=O)NNC(=O)c1ccccc1)CC	759466984	YTWSUYWFDDUWJC-UHFFFAOYSA-N	304.346	1.737	50	20	DDGD	
COC(C)(C)CN(C)C(=O)NNC(=O)c1cccc(C#N)c1	758865417	CUTAYICCUCGCQT-UHFFFAOYSA-N	304.350	1.269	50	20	DDGD	
Cc1nn(C)c2ncc(NC(=O)NNC(=O)CC(C)C)cc12	755848479	XWGRGSOTTYCPFU-UHFFFAOYSA-N	304.354	1.476	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ncoc2-c2ccon2)n1	857542485	YGHGHUSHJWZQBR-UHFFFAOYSA-N	320.696	1.838	50	20	DDGD	
CCCNC(=O)NNC(=O)Cc1cc(Cl)cc2c1OCC2	755169662	CGSMIJKCOUZACV-UHFFFAOYSA-N	311.769	1.558	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@](C)(O)CC)cc1OC	929320351	VJKCXLPQQPGZRB-OAHLLOKOSA-N	310.350	1.016	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1ccc2ncsc2c1	755804307	RYPJHKSXPFOYHW-UHFFFAOYSA-N	314.330	1.553	50	20	DDGD	
CC(=O)c1ccc(CC(=O)NNC(=S)N[C@@H](C)C2CC2)cc1	855102990	PDBFZQFQLYFNIU-JTQLQIEISA-N	319.430	1.726	50	20	DDGD	
O=C(NNC(=O)[C@@]1(C(=O)O)C[C@H]2CC[C@H]1C2)c1ccccc1	852944667	QBKIFEYWJBOMNJ-KNHMANMVSA-N	302.330	1.339	50	20	DDGD	
O=C(NNc1ccc(F)cn1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2	754129165	RPCNYSZTSWRQLJ-RAIGVLPGSA-N	306.341	1.804	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H](C)CN2CCCC2=O)c1	858234781	SFXWYBNWQATHEO-JTQLQIEISA-N	324.406	1.011	50	20	DDGD	
C[C@H]1C[C@@H](CCNC(=O)NNC(=O)CC(F)(F)F)CCO1	753333815	FJMLOUCWWNQIEX-IUCAKERBSA-N	311.304	1.474	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1cc(F)cc(F)c1	755891921	OAIMHGRYXWYEDS-SNVBAGLBSA-N	300.305	1.857	50	20	DDGD	
COC(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)c(Cl)c1	929231685	JYNALHSRRPVJBL-UHFFFAOYSA-N	311.725	1.689	50	20	DDGD	
CC(C)(C)OC(=O)C1(C(=O)NNC(=O)CC(F)(F)F)CCC1	854998048	YMKBRLRRMJJEMK-UHFFFAOYSA-N	324.299	1.598	50	20	DDGD	
CN1CC[C@]2(CCCN(C(=O)/C(C#N)=C\c3cnn(C)c3)C2)C1	854734817	DMVDWUCCRMUDLW-XYMPBJBSSA-N	313.405	1.271	50	20	DDGD	
Cc1ccc2c(c1)CN(C(=O)NNC(=O)c1ncccn1)CC2	852385046	KEAYZTXCPGELAA-UHFFFAOYSA-N	311.345	1.198	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1CCO[C@@H](C(C)C)C1	932429991	UCYBNRRRMNSIHL-IUODEOHRSA-N	320.389	1.907	50	20	DDGD	
CCn1cnnc1CNC(=O)NC[C@@]1(C)C[C@@H]1Br	856719345	QEWFMECGDAHISP-GZMMTYOYSA-N	316.203	1.271	50	20	DDGD	
CCOc1nc2sccn2c1C=NNC(=O)c1ccc[nH]1	753922722	CNGQSIQYIMJULZ-UHFFFAOYSA-N	303.347	1.887	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)CCCF	854607910	YVPODZVNDBYKGL-UHFFFAOYSA-N	303.359	1.130	50	20	DDGD	
Cc1cc(=NNC(=O)C(=O)Nc2c(C)noc2C2CC2)cc[nH]1	861958436	XXUPZDPOBNFBJI-UHFFFAOYSA-N	315.333	1.068	50	20	DDGD	
O=C(NNC(=O)c1cccc(Br)n1)c1ccccn1	765460939	XQYNZAHWUQBVMU-UHFFFAOYSA-N	321.134	1.314	50	20	DDGD	
CCCn1c(C)nnc1SCC(=O)NNC(=O)C(C)(C)C	760330028	XSAARYLUFOBCAG-UHFFFAOYSA-N	313.427	1.282	50	20	DDGD	
O=C(NN=Cc1cnc(C2OCCO2)s1)c1ccccc1O	761742946	KHTNENKXSYRDFD-UHFFFAOYSA-N	319.342	1.658	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccn(C)c1	763142500	QYBJHVMNLRBFSV-SNVBAGLBSA-N	305.309	1.393	50	20	DDGD	
Cc1onc(-c2ccccn2)c1C(=O)NNC(=O)C1CCCC1	764817541	FXYYGTVEHYADFG-UHFFFAOYSA-N	314.345	1.996	50	20	DDGD	
CC(C)[C@@H]1C[C@H](C(=O)NNC(=O)c2ccc(C#N)cc2)CCO1	931161743	DTWOLYJQFUYKBM-CABCVRRESA-N	315.373	1.770	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C1CSC1	867853038	IANOOJVEPIFTKK-MRVPVSSYSA-N	314.794	1.618	50	20	DDGD	
C[C@@]1(CNC(=O)c2nc(C3CC3)no2)C[C@H]1Br	866024892	XZENMBGGLXWTGG-HQJQHLMTSA-N	300.156	1.850	50	20	DDGD	
NC(=O)[C@H](NNC(=O)C1CC1)c1cccc(Br)c1	763376281	CXOIUWJAIDYNFK-SNVBAGLBSA-N	312.167	1.006	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cc1ccc(O)c(Cl)c1	869068392	PMCQMCNHBYNSHP-WCBMZHEXSA-N	312.753	1.161	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2	862288205	AWIQXZXFAFSFQA-BFHYXJOUSA-N	316.357	1.901	50	20	DDGD	
COc1nccnc1NNC(=O)c1cccc2c1OCCO2	764460802	OXMGONYYNXNSOR-UHFFFAOYSA-N	302.290	1.013	50	20	DDGD	
C[C@]1(C(=O)NCCCSC#N)Oc2ccccc2NC1=O	868091206	VHGMAQZFGXHVNN-CQSZACIVSA-N	305.359	1.497	50	20	DDGD	
Cc1ccc(Cl)c(OCC(=O)NNC(=O)c2cc(C)[nH]n2)c1	765582487	AEVNXTLCXBFWTM-UHFFFAOYSA-N	322.752	1.520	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](C)c1nccn1-c1ccccc1	875582920	GTVMTCSOCBGDAH-LLVKDONJSA-N	317.349	1.846	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNC(=O)Cc1ccccc1F)C(C)C	874448029	MEDBFFQNRXZQIH-CQSZACIVSA-N	324.352	1.351	50	20	DDGD	
O=C(CN1CCCC1)NNC(=O)c1cccc(OC(F)F)c1	874345887	KWNMMQKANIXJDX-UHFFFAOYSA-N	313.304	1.145	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)C2[C@H]3CCC[C@H]23)cc1	776697611	NXIMVXWRODSNRM-STQMWFEESA-N	316.357	1.345	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN[C@@H](c2ccc(F)cc2)C1	874892124	AEYYSFLUTMIQJX-HFBDAHEESA-N	303.337	1.743	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1c[nH]c2c(C)cccc2c1=O	776184376	AOBPBQWRNDNYAP-UHFFFAOYSA-N	302.334	1.143	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@@H]1C1CCOCC1	777744909	WNCTZDHHTISOQL-CYBMUJFWSA-N	311.426	1.071	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNc1nc(-c2cccnc2)no1	770745316	GQNOVJQGLCIIMV-UHFFFAOYSA-N	313.321	1.184	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)Cc1ccc(C)c(OC)c1	771969248	OSGWHIDMRIRVCB-NSHDSACASA-N	322.361	1.035	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1ccc(Cl)cc1C	877914753	ZLLVDWBUSRJDKJ-UHFFFAOYSA-N	315.757	1.464	50	20	DDGD	
CC[C@H]1[C@@H](C)CCN1CC(=O)NNC(=O)c1cccc(C#N)c1	775782377	FUPLIUCWCSQQNQ-WFASDCNBSA-N	314.389	1.440	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@@H](NC(=O)NNC(=O)CC(F)(F)F)C1(C)C	776065854	DJMUGGZBPDLBPD-FTLITQJKSA-N	311.304	1.329	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccc2c(c1)nnn2C	772877415	QIAMIOCWPUFUIU-UHFFFAOYSA-N	311.349	1.639	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1CCN(C2CCCCC2)C1	887144251	HBFNULFCOYAYRJ-AWEZNQCLSA-N	305.422	1.592	50	20	DDGD	
C[C@H]1CCCCN(CC(=O)NNC(=O)c2cccc(C#N)c2)C1	775729456	LGIBXBKZVMLJFE-ZDUSSCGKSA-N	314.389	1.441	50	20	DDGD	
CC[S@](=O)[C@H]1CCC[C@H](NS(=O)(=O)CCCCl)C1	881973956	WJYLXMSZOVUUBK-DINDLPBHSA-N	315.888	1.615	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cnn(-c2ccccn2)c1C	887140923	YDMBSEVFSUTDAM-UHFFFAOYSA-N	311.345	1.140	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC(=O)c2cccn21)c1ccccc1O	788738739	NOJUBZLITFDREX-LBPRGKRZSA-N	313.313	1.173	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)CCCOC1	781142327	MPKVEUZAMUMALN-QGZVFWFLSA-N	315.373	1.675	50	20	DDGD	
CN(CC(=O)NC1CC1)C(=O)[C@H](Br)C(C)(C)C	781071148	RVRQNNWQTVQZKT-JTQLQIEISA-N	305.216	1.533	50	20	DDGD	
O=C(NNC(=O)c1c[nH]nc1-c1ccoc1)NC1CCCC1	789916617	IXXWFYNQFPDZIC-UHFFFAOYSA-N	303.322	1.556	50	20	DDGD	
CCc1nc(C(C)C)ccc1C(=O)NNC(=O)c1cccnn1	882060177	WCTQILYTGULMPS-UHFFFAOYSA-N	313.361	1.632	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)cc1F)C(=O)Nc1ccccn1	783521575	VKUZBCQFRGRFEU-UHFFFAOYSA-N	320.711	1.963	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccnc(C2CC2)c1)C1CC1	783058497	YVSZNSUSKVKXHS-VIFPVBQESA-N	304.419	1.866	50	20	DDGD	
CNC(=O)CCCC(=O)NNC(=O)c1ccc2ccccc2c1	780394448	YUKOGFDMOQHREO-UHFFFAOYSA-N	313.357	1.517	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)c2cccs2)CC(C)(C)C1	784350903	SWPGGOZERVQXNX-NSHDSACASA-N	309.435	1.877	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@H]1CCc2nccn2C1	787127826	VLVUQEUYDMOEMJ-VIFPVBQESA-N	314.374	1.594	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cncc(C)c2)cc1	783022321	MPDRRBZLQKKPQC-UHFFFAOYSA-N	300.318	1.480	50	20	DDGD	
O=C(NNc1ccccn1)[C@@H]1CC(c2c(F)cccc2F)=NO1	786525379	HKNMASUEDQCIGU-LBPRGKRZSA-N	318.283	1.996	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cn(C)nc1-c1ccncc1	791211200	GTWYOBBTMALNIT-UHFFFAOYSA-N	308.345	1.942	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cc(F)ccc1-n1cccn1	793479855	VJLKYLANXLTSQY-UHFFFAOYSA-N	302.309	1.573	50	20	DDGD	
COc1cccc(C=NNC(=O)c2nnc(O)c3ccccc23)n1	790146270	RDQMEHNGLZCYGV-UHFFFAOYSA-N	323.312	1.503	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc([S@](C)=O)cc2)n1	794074564	GEOHNROOEPQRCB-QFIPXVFZSA-N	317.370	1.202	50	20	DDGD	
Cc1cc(C(=O)NNc2nccn(C)c2=O)c(C)cc1Cl	795158827	NFLLTSOLNXVNPL-UHFFFAOYSA-N	306.753	1.807	50	20	DDGD	
O=C(CCc1cnccn1)NNc1ccc(C(F)(F)F)cn1	793852488	WKOSIYAOWPRHFP-UHFFFAOYSA-N	311.267	1.966	50	20	DDGD	
COc1cccc(O)c1C=NNC(=O)c1ccc(O)c(O)c1	794557742	MRAWPCXGFXZPBI-UHFFFAOYSA-N	302.286	1.576	50	20	DDGD	
CSSCCNC(=O)NC[C@@]1(N(C)C)CCSC1	790761955	NLVTWNAMFOUATA-NSHDSACASA-N	309.526	1.734	50	20	DDGD	
Cc1nc2c(C(=O)NNC(=O)NCc3ccco3)cccc2o1	792083556	FOWTWIMMBKBDOX-UHFFFAOYSA-N	314.301	1.873	50	20	DDGD	
COc1ccc(/C=C(\C#N)S(N)(=O)=O)c(Cl)c1OC	799894256	QIQXDBJYABFLOM-VMPITWQZSA-N	302.739	1.510	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1C#N)c1ccnc(O)c1	790290617	QYKHTSGBEOCNRC-UHFFFAOYSA-N	310.313	1.578	50	20	DDGD	
Cn1c(=NNC(=O)[C@H](O)c2ccccn2)sc2ccccc21	791313018	YPNIFYNJYJCESH-CYBMUJFWSA-N	314.370	1.300	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccnc(NC(=O)C2CC2)c1	795587964	PLSBCWKHGQHTHU-UHFFFAOYSA-N	319.365	1.174	50	20	DDGD	
CC(=NNC(=O)c1c[nH]nc1C)c1ccc2c(c1)OCC(=O)N2	794908460	KFKYRHWTEKXIHN-UHFFFAOYSA-N	313.317	1.203	50	20	DDGD	
C[C@H](C(=O)NNc1ccnc(Br)c1)n1ccnc1	1320478603	KSFHMMMFXCJMLT-MRVPVSSYSA-N	310.155	1.745	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccncc1)c1ccc(F)cc1F	1320356815	FEOWAMZZXCNHOZ-SECBINFHSA-N	305.284	1.925	50	20	DDGD	
CC(C)[C@@H]1CCC[C@H](NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)C1	1328129940	AHRGDGIUYVHKKP-YIYPIFLZSA-N	311.426	1.957	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)C1CCNCC1)c1ccccc1	1325298711	PJSMSGXTLKTWAX-ZDUSSCGKSA-N	318.421	1.510	50	20	DDGD	
CCC(Cc1ccc(OC)c(OC)c1)=NNC(=O)C[N+](C)(C)C	1321529759	KCOZGIROVTULRQ-UHFFFAOYSA-O	322.429	1.835	50	20	DDGD	
CCCN(CC(=O)NNC(=O)C1CC1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	1322783530	CWHADWVQXVKDJG-NWANDNLSSA-N	323.437	1.069	50	20	DDGD	
C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)NNC(=O)c1cn[nH]c1	1329759518	PBPBWGWIZQEBLK-VXNVDRBHSA-N	319.287	1.427	50	20	DDGD	
Cc1nn(C)cc1CCC(=O)NNc1nccnc1C(C)C	1326525875	HSDGWZHSYJXDGT-UHFFFAOYSA-N	302.382	1.718	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H]1CCCN1c1ccccc1	1324815718	QVFLVGZIBNNHNV-ZDUSSCGKSA-N	306.435	1.559	50	20	DDGD	
CCCN1CCCC[C@H]1C(=O)NNC(=O)NC1CCCCC1	1251355739	FCUGZODSAFLLTJ-AWEZNQCLSA-N	310.442	1.914	50	20	DDGD	
CC[C@]1(C(=O)NNc2nc[nH]n2)CCN(C(=O)OC(C)(C)C)C1	1345042975	ODKHXGAUADIHIZ-AWEZNQCLSA-N	324.385	1.285	50	20	DDGD	
CC(C)C1(O)CCN(C(=O)/C(C#N)=C/c2cnn(C)c2)CC1	1347616762	YDRMFFRVYCDSES-RIYZIHGNSA-N	302.378	1.337	50	20	DDGD	
O=C(c1ccccc1)N1CCC[C@H](NS(=O)(=O)CCl)C1	1260938183	LARYQVKCOXCTMT-LBPRGKRZSA-N	316.810	1.407	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)CCc1cccc(O)c1)C1CC1	1347307018	YYLXUYGSRBJPFX-SNVBAGLBSA-N	307.419	1.619	50	20	DDGD	
CCCNC(=O)[C@H](C)NC(=O)NC[C@]1(C)C[C@@H]1Br	1521195523	SHBIYCAAUFXSEU-AUTRQRHGSA-N	320.231	1.374	50	20	DDGD	
O=C(O)[C@]1(C(=O)NNc2ncncc2F)C[C@H]1c1ccccc1	1601703134	VOJPNFGEYYWXOQ-ZUZCIYMTSA-N	316.292	1.317	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)COCc2cccnc2)cc1	1602127731	XMMRSTMPCQVIHB-UHFFFAOYSA-N	315.329	1.369	50	20	DDGD	
CN(Cc1ccc(C(=O)O)cc1)S(=O)(=O)CBr	1606154124	OPFYLRHNMJANSY-UHFFFAOYSA-N	322.180	1.499	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1nc(CCC(=O)O)cs1	1602701822	YSCCAIYTEBEQDZ-UHFFFAOYSA-N	324.362	1.117	50	20	DDGD	
C/C(=C/CNS(=O)(=O)c1ccc(CCCl)cc1)C(=O)O	1602974314	AVVRXADRLBOWLM-YFHOEESVSA-N	317.794	1.777	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1cc(C(C)C)[nH]n1	1607140997	IDQGWWRCGZHEIH-UHFFFAOYSA-N	318.333	1.997	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCC2)NNc1ccc(C(=O)O)cn1	1601361398	HYABUCDWCHDBOY-UHFFFAOYSA-N	311.341	1.954	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCc1ccccc1C(=O)O	1600978866	SRBPMAHERNIZKV-UHFFFAOYSA-N	315.329	1.117	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cccc(CC(=O)O)c2)cc1	1610626210	GDWINCCPURXXGU-UHFFFAOYSA-N	323.308	1.260	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@@H]1C=NNC(=O)c1ccc[nH]1	1552761982	ZSOPWQGTKFIEPZ-DGCLKSJQSA-N	301.350	1.725	50	20	DDGD	
CO[C@@H]1C[C@H](c2nnc3cnccn23)N(C[C@@H]2[C@H](C)[C@H]2Cl)C1	1550634271	SNIXBVGGWORCBA-WRYZSIRCSA-N	321.812	1.759	50	20	DDGD	
Cc1cccc(-c2cccc(C(=O)NNC(=O)[C@@H]3CCN3)c2)c1	1579743071	LHILILGSZPKEJB-INIZCTEOSA-N	309.369	1.785	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](CN)C2CCCCCC2)o1	1579664048	VBUYCLJRGYMMJI-ZDUSSCGKSA-N	307.394	1.894	50	20	DDGD	
CC(C)(C(=O)O)C(=O)NNc1ccc(-c2ccccc2)nn1	1588618434	LCFCZKBDNWRZHN-UHFFFAOYSA-N	300.318	1.698	50	20	DDGD	
CC(C)CC(=O)NN=C1CCCc2cc(-c3nn[nH]n3)cnc21	1589536361	LICQTLPBFJINEE-UHFFFAOYSA-N	313.365	1.464	50	20	DDGD	
CC1(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](F)Cl)CCC1	1847226718	OBLYCTGGRAZAMJ-DCAQKATOSA-N	302.777	1.913	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H]1CC1(F)F)C2	1845165154	XWFLKTQAPTYBGQ-NXEZZACHSA-N	320.767	1.862	50	20	DDGD	
CCc1nnsc1C(=O)NNc1ccc(C(=O)O)c(F)c1	1597741422	GYBNLTGPZZGBQC-UHFFFAOYSA-N	310.310	1.695	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2ccc(-c3nn[nH]n3)c(O)c2)c1	1592700424	TWVSWKCKDJMTIZ-UHFFFAOYSA-N	321.300	1.201	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2ccc(CC(=O)O)cc2)c[nH]1	1598920094	SDTKAXJOKKHIGT-UHFFFAOYSA-N	317.301	1.185	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NNc1ccc(-c2nn[nH]n2)cc1	1590163580	JPWKHHTWVVCHMN-MWLCHTKSSA-N	314.349	1.315	50	20	DDGD	
O=C(O)/C=C\c1cc(C(=O)NNC(=O)OCC(F)(F)F)co1	1594969495	ZJXCWXUSOKLIGZ-UPHRSURJSA-N	322.195	1.311	50	20	DDGD	
C[C@H](CNC(=O)NNc1ccc(C(=O)O)c(F)c1)N(C)C1CC1	1592676687	VJXQWFDFXSQQDR-SECBINFHSA-N	324.356	1.633	50	20	DDGD	
CCOC(=O)CC[C@H](C)NC(=O)NNc1cccc(C(=O)O)c1	1596600462	NPVNMASLTNDSHD-JTQLQIEISA-N	323.349	1.743	50	20	DDGD	
C[S@](=O)c1ccc(C(=O)NNc2ccccc2C(=O)O)cc1	1599780150	ZLEXGOFEVMUCQO-QFIPXVFZSA-N	318.354	1.879	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1C[C@@H](C(=O)O)C[C@@H](C(F)(F)F)C1	1596859933	HMCGEXJZIALOLO-BJHGEIEHSA-N	320.267	1.542	50	20	DDGD	
O=C(Cc1nc(C2CC2)cs1)NNc1ncccc1C(=O)O	1594712767	DTPICSNTTRLJPK-UHFFFAOYSA-N	318.358	1.800	50	20	DDGD	
O=C(O)c1ccc2c(c1C=NNC(=O)[C@@H]1CCCCO1)OCO2	1776077589	GYSKCADBUMZHAX-LBPRGKRZSA-N	320.301	1.133	50	20	DDGD	
Nc1cnc(Cl)cc1C=NNC(=O)c1cccc(C(=O)O)c1	1776096645	LJLFUFLTOJUUDK-UHFFFAOYSA-N	318.720	1.779	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)c2ccc(C(=O)O)cc2)cn1	1776099441	HKPMXLAQLAJELY-UHFFFAOYSA-N	300.318	1.926	50	20	DDGD	
CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](Cl)CC)C2)C1	1781213240	HFPOEDZEHCMYHU-FZMZJTMJSA-N	302.802	1.244	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1cc(-c2ccccc2)ns1	161259013	MKBJKWFWFDPNSO-UHFFFAOYSA-N	319.390	1.524	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CN(C)C)ccc1OC(C)C	156108844	NMOICJXXZDPLMC-UHFFFAOYSA-N	308.382	1.497	50	20	DDGD	
CS(=O)(=O)CCC(=O)NNC(=O)c1cccc2ccccc12	157589428	ZDLBFJVIAVCSPZ-UHFFFAOYSA-N	320.370	1.036	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2cccc(N(C)C)c2)n1	155259591	HXUKMUXZGOHDTJ-UHFFFAOYSA-N	316.365	1.378	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@H]2CC23CCOCC3)n1	155720255	MRDWCPUVPDPTAX-GFCCVEGCSA-N	319.409	1.583	50	20	DDGD	
O=C(NNc1ccncc1Cl)c1ccc(N2CCCC2)nn1	154594838	KFUFZBFFRKARJV-UHFFFAOYSA-N	318.768	1.882	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)C(=O)NC1CC1)C1CCCCC1	154897085	AYOUNRVUWZGBLD-UHFFFAOYSA-N	324.425	1.202	50	20	DDGD	
CNC(=O)N1CCN(C[C@H](CBr)C2CC2)CC1	721652208	FTDLWTXGPPHSPX-NSHDSACASA-N	304.232	1.365	50	20	DDGD	
O=C(COc1ccccc1)NNC(=O)Cc1c[nH]c2ccccc12	26535651	CVXWBQQFTLNYKH-UHFFFAOYSA-N	323.352	1.937	50	20	DDGD	
O=C(CC[C@@H]1CCCO1)NNC(=O)Cn1ccc2ccccc21	104631307	LCOOPCYFSJBYLA-AWEZNQCLSA-N	315.373	1.748	50	20	DDGD	
O=C(NCCc1nccs1)NNc1cccc([N+](=O)[O-])c1	51756492	XOIVELYMBFJAQU-UHFFFAOYSA-N	307.335	1.920	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)COc2ccccc2C=O)n1	171362505	JBACUDGAIIBIKU-UHFFFAOYSA-N	300.318	1.428	50	20	DDGD	
Cc1ccc(CCC(=O)NNC(=O)c2c[nH]nc2C)c(C)c1	109860492	XXYNFPASVHVPFL-UHFFFAOYSA-N	300.362	1.729	50	20	DDGD	
O=C(NNC(=O)c1ccc(N2CCCC2)nc1)c1ccccc1	171348431	CZUIAKUXSZMTIC-UHFFFAOYSA-N	310.357	1.757	50	20	DDGD	
N#Cc1cccc(C(=O)NNS(=O)(=O)c2ccccc2)c1	58109955	ATRRUGMSBASOLF-UHFFFAOYSA-N	301.327	1.182	50	20	DDGD	
O=C(NNC(=O)c1ccc(O)c(Cl)c1)Nc1nccs1	172194370	CVWSADDXMOPITI-UHFFFAOYSA-N	312.738	1.969	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)cn1	117679914	ZGQCVMNKUHGZSL-STQMWFEESA-N	318.764	1.638	50	20	DDGD	
Cc1ccnc(NNC(=O)c2ccc(S(C)(=O)=O)cc2)c1	176711902	WFMYNBCEGPVGBV-UHFFFAOYSA-N	305.359	1.550	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2cn(C)nc2C)cc1	113141417	GEFITXBZEZVKCI-UHFFFAOYSA-N	318.402	1.590	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNC(=O)c1c[nH]c2ccccc12	119123456	NJVHXDVGULJJNS-UHFFFAOYSA-N	317.345	1.518	50	20	DDGD	
CC(C)N1CCC(C(=O)NNC(=O)CCc2ccccc2)CC1	174448789	UVFQZRJDTUZHDP-UHFFFAOYSA-N	317.433	1.887	50	20	DDGD	
NC(=O)[C@@H](NNC(=O)COc1ccccc1F)c1ccccc1	26223091	MCVRMBLWGOUDSP-HNNXBMFYSA-N	317.320	1.052	50	20	DDGD	
Cc1c(C(=O)NNC(=O)OC(C)(C)C)nnn1-c1ccccc1	63460500	LSPNKYQSTKQEME-UHFFFAOYSA-N	317.349	1.745	50	20	DDGD	
O=C(NCc1ccccn1)NNC(=O)c1cccc2ncccc12	171693033	NFWDTWXOQFUYJS-UHFFFAOYSA-N	321.340	1.774	50	20	DDGD	
CC1CCC(O)(CNS(=O)(=O)CBr)CC1	127502684	DCUKPQWDEHKGJF-UHFFFAOYSA-N	300.218	1.199	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(OC)ccc1[N+](=O)[O-]	64424837	USOYVZBOZKRODO-UHFFFAOYSA-N	310.310	1.348	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@@H](C)C[C@@H](C)O	175136749	XFJKZZNSJMHZOC-VHSXEESVSA-N	301.818	1.876	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)NCC(F)(F)F	60411704	UFBBUBMGYRCDHW-UHFFFAOYSA-N	305.256	1.348	50	20	DDGD	
CCCc1ccccc1NC(=O)NNC(=O)c1cnn(C)c1	183543802	MTNSOQJPGGVRIY-UHFFFAOYSA-N	301.350	1.839	50	20	DDGD	
CCc1ccnc(C(=O)NNC(=O)COc2cccc(C)c2)c1	181727035	NFLXATVZDFRMGV-UHFFFAOYSA-N	313.357	1.792	50	20	DDGD	
CCCCNC(=O)NNC(=O)C(F)(F)c1ccc(OC)cc1	123112570	KCBFKDBLFIGHCY-UHFFFAOYSA-N	315.320	1.918	50	20	DDGD	
CC(C)C(C)(C)CNC(=O)NNC(=O)CNC(=O)c1ccco1	189762645	MEGOCINNZOPUCC-UHFFFAOYSA-N	324.381	1.022	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCC[C@@H](C(N)=O)C1	181752171	BBPWWZHROAASLJ-YFBAIUBQSA-N	301.321	1.457	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1ccc(C(C)(C)O)cc1	187888258	UYUXBTWWUFIIRC-UHFFFAOYSA-N	307.394	1.791	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)NC1CCCC1	31024873	NZACFLZCHFWEPX-ZDUSSCGKSA-N	305.334	1.099	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2ccccc2O)c1	181158093	WYPDYKWWSLIWCI-UHFFFAOYSA-N	306.343	1.553	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H](C(=O)NNc2ccccc2C(F)(F)F)O1	188999146	KCPFZWLDZDZQGR-VHSXEESVSA-N	317.267	1.181	50	20	DDGD	
CC(C)N1CC[C@@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)C1=O	182995571	ZVOPZXNKRTUNPG-UZGISAJGSA-N	315.348	1.858	50	20	DDGD	
C[C@@H](CNC(=O)NNc1cccnn1)N(C)Cc1ccccc1	77664192	UQACXYPKDCKWKK-ZDUSSCGKSA-N	314.393	1.623	50	20	DDGD	
Cc1nscc1C(=O)NNc1nc2ccccc2c(=O)[nH]1	183231479	OILAVLHDWZMXSH-UHFFFAOYSA-N	301.331	1.445	50	20	DDGD	
CN(C)CC(=O)NNC(=O)CCc1ccc(C(C)(C)C)cc1	75652955	SDNMITRHVBEIIL-UHFFFAOYSA-N	305.422	1.626	50	20	DDGD	
CCO[C@H]1CCCN(CC(=O)NNC(=O)c2cccs2)C1	76403062	XKKJUVWLHDTYIQ-NSHDSACASA-N	311.407	1.010	50	20	DDGD	
CCCSCC(=O)NNC(=O)c1c(C)nc2ccccn12	48402935	RMBRXZSCHNDGRH-UHFFFAOYSA-N	306.391	1.547	50	20	DDGD	
CCN1CCC(NC(=O)NNC(=O)Nc2ccccc2C)CC1	43292466	IMUMYDADFQRMKH-UHFFFAOYSA-N	319.409	1.815	50	20	DDGD	
O=C(NNc1cccc(Cl)c1)C(=O)Nc1ccc(F)cn1	193884784	IWMLFXLOYJLJHU-UHFFFAOYSA-N	308.700	1.956	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)c1cc(Br)c[nH]1)C1CC1	48674756	HMRMVRUORZIZAS-DAXSKMNVSA-N	312.167	1.895	50	20	DDGD	
C[C@@H]1CCCC[C@H]1NC(=O)NNc1ccc(-n2cccn2)nn1	43043089	YRBXZENXYQEQEE-VXGBXAGGSA-N	315.381	1.867	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2cc(F)c(O)c(F)c2)n1	132306272	VKRHASPONQNOLS-UHFFFAOYSA-N	315.667	1.453	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C(C)(C)C#N)c1C	42127810	HWKRPFRYTICAHO-LBPRGKRZSA-N	303.362	1.768	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cncc(Br)c1	80085342	MQFRNYXVSFADRL-UHFFFAOYSA-N	300.156	1.651	50	20	DDGD	
CCOc1ccc(CC(=O)NNC(=S)N[C@H](C)C2CC2)cc1	83676412	SRXUKAUQOGENGZ-LLVKDONJSA-N	321.446	1.922	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCCc1cccc(F)c1	83159053	SSPMUPAFWSVUPG-UHFFFAOYSA-N	316.336	1.336	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](C)[C@H](N)c2ccccc2)n1	237304879	SYFCFCFJPIKRAB-FZMZJTMJSA-N	315.377	1.573	50	20	DDGD	
CSCCNC(=S)NNC(=O)CCc1cccc(C)c1	94121519	SPJHGULNHPGKRX-UHFFFAOYSA-N	311.476	1.786	50	20	DDGD	
COCCCNC(=O)CN(C)/C(=C\C#N)c1ccc(F)cc1	255306835	YXGSPDYBLQVLDA-NVNXTCNLSA-N	305.353	1.775	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1ccccc1[N+](=O)[O-]	254441658	ABJKKAIXDRJWTG-UHFFFAOYSA-N	316.273	1.068	50	20	DDGD	
CN(C)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)c2ccccc2F)C1	267374721	KPRUGPGDFSURSF-VXGBXAGGSA-N	322.384	1.643	50	20	DDGD	
O=C(CSC[C@H]1CCCCO1)NNC(=O)c1ccccc1O	263874772	OSCPOOJHFQYPBN-LLVKDONJSA-N	324.402	1.456	50	20	DDGD	
CSc1ccc(O[C@H](C)C(=O)NNC(=O)NC2CC2)cc1	265856495	GUSCUWWMQMHVHL-SECBINFHSA-N	309.391	1.669	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1	269595914	UREXWEFRXUHNSA-PKNBQFBNSA-N	323.374	1.286	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@@H](C)[C@@H]1CCOC1	266639371	XTCBZPLAFLJKKX-NWDGAFQWSA-N	306.366	1.756	50	20	DDGD	
CSC[C@@H](C)NC(=O)NNC(=O)COc1ccccc1C#N	265581949	RCJGEQYCADLJQH-SNVBAGLBSA-N	322.390	1.019	50	20	DDGD	
COc1cc(/C=C/C(=O)NN(C)C(N)=O)ccc1OC(C)C	271292808	MIEQRQMUEJHESR-SOFGYWHQSA-N	307.350	1.537	50	20	DDGD	
COCCOc1ccc(Cl)cc1C(=O)NNC(=O)OC	274315407	VUGGSAVHOPDSIY-UHFFFAOYSA-N	302.714	1.366	50	20	DDGD	
CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)C2CCC2)cc1	274055427	HRVRDYGJVRHTGD-UHFFFAOYSA-N	319.361	1.360	50	20	DDGD	
Cc1ccnc(-n2nc(C)cc2NC(=O)NNC(=O)C2CC2)c1	278775345	WUXGLNMHUOKRPQ-UHFFFAOYSA-N	314.349	1.447	50	20	DDGD	
O=C(NCC1CC1)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	276410901	AWLJCROIHAZNAW-UHFFFAOYSA-N	312.713	1.218	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](NC(=O)NNc2cncc(Cl)n2)CCO1	271782847	KDVVLGZAKIHAJL-UWVGGRQHSA-N	313.789	1.960	50	20	DDGD	
C[C@H](CCC(C)(C)C)C(=O)NNC(=O)CNC(=O)c1ccco1	273444878	WXALCISPGXBRQC-LLVKDONJSA-N	323.393	1.619	50	20	DDGD	
CNC(=O)[C@H]1CN(CCO[Si](C)(C)C(C)(C)C)CCO1	365985419	COWCPXPBTIXNLU-GFCCVEGCSA-N	302.491	1.455	50	20	DDGD	
C[C@@H](O)CN1CCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)CC1	275434519	IHVHEBMLMXWPDP-OIRWXJDHSA-N	316.361	1.458	50	20	DDGD	
CC[C@@H]1C[C@@H](CC(=O)NNc2ncnc3nc[nH]c23)CCO1	272809638	CDWBOTBKZPHVFF-VHSXEESVSA-N	304.354	1.391	50	20	DDGD	
O=C(NNc1ncccc1F)Nc1cnn(C[C@H]2CCCO2)c1	376818824	KNMRPHXJFRUUJH-LLVKDONJSA-N	320.328	1.745	50	20	DDGD	
CSCC(C)(C)C(=O)NNC(=O)COc1ccc(C#N)cc1	281975807	HGTPDTZKCZCORH-UHFFFAOYSA-N	321.402	1.474	50	20	DDGD	
CCN(CC)CCSCC(=O)NNc1ncccc1F	286092255	UVVRNUPPLNKUTJ-UHFFFAOYSA-N	300.403	1.739	50	20	DDGD	
COCCC(C)(C)CNC(=O)NNC(=O)c1cccc(C)n1	280128641	CYSDVJXILUWUDB-UHFFFAOYSA-N	308.382	1.397	50	20	DDGD	
COC(=O)N(C)NC(=O)Cc1nc(-c2cccs2)oc1C	286537121	YOMPPBQYFRATIR-UHFFFAOYSA-N	309.347	1.983	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)C1(S(C)(=O)=O)CCC1	281442530	CRISQOLIFZUSBF-UHFFFAOYSA-N	300.355	1.545	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1cccnc1N1CCOCC1	286129341	BENKIFYMZPCCJU-UHFFFAOYSA-N	317.324	1.209	50	20	DDGD	
C=CCN1CC[C@@H](N(C)S(=O)(=O)CCCCCl)C1=O	281566128	PELFBWKFIPRANA-LLVKDONJSA-N	308.831	1.054	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1ccc2c(c1)C(=O)CCC2	295971502	KKUHGXNTGSZTEI-UHFFFAOYSA-N	312.347	1.097	50	20	DDGD	
O=C(NCCCN1CCCCCC1=O)NNc1ncccc1F	804860899	RXQCBXHMUMKBGN-UHFFFAOYSA-N	323.372	1.640	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2cccn2C)[nH]c(C)c1C(C)=O	298848226	BIZUVILKRGSCRS-UHFFFAOYSA-N	316.361	1.501	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@](F)(CO)C1	802345422	UFWCEJYQIVJFIR-CYBMUJFWSA-N	303.765	1.285	50	20	DDGD	
N#CC(C#N)=CN[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1	804601853	SCDWKJQTCQKAKS-LLVKDONJSA-N	300.284	1.841	50	20	DDGD	
Cn1c(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)cccc1=O	801999351	CTXIKWWPOJVAMD-UHFFFAOYSA-N	322.271	1.130	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NNC(=O)[C@@H]1CCCCO1	295600340	PVAYNEXJWVYPNR-UTUOFQBUSA-N	308.403	1.877	50	20	DDGD	
Cc1cccc(CC(=O)NNC(=O)N=c2cc[nH]cc2)c1Cl	802027097	RBUMBNFZCBZXKX-UHFFFAOYSA-N	318.764	1.861	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1CNC(=O)NNC(=O)CC(C)C	298934802	OBTMAOUJOUUVCQ-UHFFFAOYSA-N	324.337	1.480	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cccc2c1CCCC2	294649218	RDSRCHOAEWKIBC-UHFFFAOYSA-N	309.369	1.964	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@]2(C)CCCOC2)cc1	802058409	DPNIDIFTNHJVRA-OAHLLOKOSA-N	307.350	1.665	50	20	DDGD	
CN(NC(=O)COc1cccc(C=O)c1)C(=O)OC(C)(C)C	297505764	BRIMVYZXGCEQSX-UHFFFAOYSA-N	308.334	1.776	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)c2sc(N)nc2C)[C@@H]1SC	807961932	LXBMLKKXBYUUGU-WPRPVWTQSA-N	314.436	1.660	50	20	DDGD	
O=C(CCn1cc([N+](=O)[O-])cn1)NNC(=O)Nc1ccccc1	801987348	CQPKKTKRCBIJFL-UHFFFAOYSA-N	318.293	1.034	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1ncsc1C(C)C	808914437	JTLBURVNPBSEND-UHFFFAOYSA-N	308.367	1.765	50	20	DDGD	
Cc1nc(NC(=O)NNc2cc(C(F)(F)F)ccn2)nn1C	297551702	ZFWMXVSYCRVQEC-UHFFFAOYSA-N	315.259	1.686	50	20	DDGD	
CC(=O)N(CCC(=O)NNC(=O)CC1CC1)Cc1ccccc1	294030674	DCBQNJAVKHMOCO-UHFFFAOYSA-N	317.389	1.373	50	20	DDGD	
CC[C@@H](C)CCC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	803878318	UHZNOTQSNNWJMO-VXGBXAGGSA-N	300.399	1.938	50	20	DDGD	
CC[C@@H]1CN(C[C@H](C)CBr)C[C@@H](C)S1(=O)=O	805772225	HERYDJGAOUQLTJ-GMTAPVOTSA-N	312.273	1.915	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2nc(C)c(C)o2)cc1	299257584	NGQQADJJUWZHCE-UHFFFAOYSA-N	318.333	1.832	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCc2cnn(C)c2)cc(C#N)n1C	299084544	RGHBYLORSLOCDC-GIDUJCDVSA-N	322.372	1.205	50	20	DDGD	
C[C@H]1CSC[C@H]1NC(=O)NNC(=O)Cc1ccccc1F	805791524	LYDGUYPYDPXHEB-JOYOIKCWSA-N	311.382	1.450	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Cc1ccc(F)cn1	806829383	YUPWMBWHIVHNRP-UHFFFAOYSA-N	303.293	1.233	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C1CCC(OC)CC1	807370988	ABGUEFASRORTJL-UHFFFAOYSA-N	316.398	1.128	50	20	DDGD	
CCc1cc(NC(=O)NNC(=O)Cc2ccccc2C)nn1C	817334139	DLJTWEQNRVIMLI-UHFFFAOYSA-N	315.377	1.686	50	20	DDGD	
COc1cc(OC)c(OC)cc1C=NNC(=O)Cc1cc[nH]n1	814954247	AZSKCDOCFFKHMW-UHFFFAOYSA-N	318.333	1.128	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)c2ccc(O)c(Cl)c2)cn1	814849657	FXNGIGGHINOLQF-UHFFFAOYSA-N	319.752	1.666	50	20	DDGD	
N#Cc1ncn(CCNCc2ccc(OCCCCl)cc2)n1	811505567	FHDUIAMKCWFAOM-UHFFFAOYSA-N	319.796	1.947	50	20	DDGD	
COC1(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)CCC1	816406453	QZJCKVKVCFEDOJ-UHFFFAOYSA-N	306.366	1.792	50	20	DDGD	
COc1ccncc1CNC(=O)NNC(=O)c1ccccc1F	814325940	OUSWZEXDWBLDBY-UHFFFAOYSA-N	318.308	1.374	50	20	DDGD	
CSC1(CNC(=O)NNC(=O)CC(C)C)CCN(C)CC1	811943673	KRVWFJNVALAOGV-UHFFFAOYSA-N	316.471	1.190	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1ccc(O)c(C(=O)O)c1	815003680	FUYJYODAWDUJTC-UHFFFAOYSA-N	300.274	1.063	50	20	DDGD	
Cc1ccc2sc(C(=O)NNC(=O)Cc3cc[nH]n3)cc2c1	810356725	NHEVCFBNAUKYSH-UHFFFAOYSA-N	314.370	1.937	50	20	DDGD	
CC(CC1(C(=O)O)CCC1)=NNC(=O)c1ccnc(N(C)C)c1	814844380	JFNJEPOQWWOWPK-UHFFFAOYSA-N	318.377	1.898	50	20	DDGD	
COC1([C@@H](C)NC(=O)NNc2nc(C)cc(C)n2)CCOCC1	817177664	IKNBPWCVSCKOGS-GFCCVEGCSA-N	323.397	1.304	50	20	DDGD	
COC(=O)c1cc(/C=C(/C#N)C(=O)[C@H]2CCCOC2)cn1C	811692059	WVOCGQQAZKLSKB-CHDKLRHSSA-N	302.330	1.714	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)COc1cc(C)cc(C)c1	811630361	GQLWIECYTVTGOO-AWEZNQCLSA-N	317.389	1.843	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccccc1Cn1cncn1	817070602	JTDYSHDNPQEQMV-UHFFFAOYSA-N	313.296	1.012	50	20	DDGD	
CC(Cc1ccsc1)=NNC(=O)[C@H](C)CN1CCOCC1	729636651	MPJQSUGLRWIPJB-GFCCVEGCSA-N	309.435	1.751	50	20	DDGD	
CCc1ccc(C#CC(=O)NNC(=O)N=c2cc[nH]cc2)cc1	816595853	CPCRCRPWSXGEGP-UHFFFAOYSA-N	308.341	1.270	50	20	DDGD	
COc1ccc(C=NNC(=O)N=c2cc[nH]cc2)c(C)c1OC	815002548	GCXIEYONRKMUFK-UHFFFAOYSA-N	314.345	1.985	50	20	DDGD	
N#Cc1cccc(C(=O)NN=Cc2ccc(O)c([N+](=O)[O-])c2)c1	728785111	UPYNIICRJGQEGU-UHFFFAOYSA-N	310.269	1.936	50	20	DDGD	
CN(C)c1cc(C(=O)NNc2nc3ccccc3n2C)ccn1	816577861	CKVKJRZBUADEOQ-UHFFFAOYSA-N	310.361	1.791	50	20	DDGD	
COc1ccc(NC(=O)NN=Cc2cnc(N(C)C)nc2)cc1	814998423	IXQDULCEGLQXNL-UHFFFAOYSA-N	314.349	1.707	50	20	DDGD	
CCCNC(=O)NN=C(C)c1ccc(N2C(=O)CCC2=O)cc1	814219715	OWPBWZUMXPEWMU-UHFFFAOYSA-N	316.361	1.773	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(C(=O)O)c(C(=O)OC)c1	829817921	NNGYQEVYNMVJRV-HJWRWDBZSA-N	318.285	1.554	50	20	DDGD	
COc1cc(F)c(S(=O)(=O)NNC(=O)C(C)(C)C)c(F)c1	726767135	YMHNGCDUQUZEHN-UHFFFAOYSA-N	322.333	1.329	50	20	DDGD	
O=C(Cc1ccsc1)NNc1cccc(-c2nn[nH]n2)c1	826423995	QURRXJOEDKQHEU-UHFFFAOYSA-N	300.347	1.614	50	20	DDGD	
CC(C)C(=O)NNC(=O)CSCCN(C(C)C)C(C)C	829403436	HCTXXVWMTQMVMN-UHFFFAOYSA-N	303.472	1.642	50	20	DDGD	
Cc1c(C(=O)NN(C)[C@@H](C)CO)cnn1-c1ccc(F)cc1	823976201	ARZJYWJPUFOJNJ-JTQLQIEISA-N	306.341	1.277	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)/C=C\[C@@H]2CCOC2)cc1	493078192	DJXBQFSHJUPEQS-LLPBQKLSSA-N	320.414	1.827	50	20	DDGD	
CCN(CCO)NC(=O)c1nc(Br)ccc1C	823879002	CVMYCVIKASMMFR-UHFFFAOYSA-N	302.172	1.112	50	20	DDGD	
COCC1(CC(=O)NNc2cccc(F)c2C(=O)OC)CC1	822736429	PRWMVQFQJCBGFQ-UHFFFAOYSA-N	310.325	1.872	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCN2C(=O)CC[C@@H]2C1	491104034	MSGKISZEBYXWFX-RNQWEJQRSA-N	311.341	1.132	50	20	DDGD	
COC(=O)c1ccc(O)c(C=NNC(=O)CC(F)(F)F)c1	726736962	BKZJRYIYVXFOGU-UHFFFAOYSA-N	304.224	1.581	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)/C=C\[C@H]2CCOC2)cc1	493325054	RUTCHXVLZMRMPO-KJPDOOANSA-N	318.377	1.498	50	20	DDGD	
Cc1ccccc1CCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C	825558937	VBYKXDBGKLRPBZ-JSGCOSHPSA-N	305.378	1.293	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2ccccc2)CC2(CCC2)O1	825583662	QZGXRJPTLHQCRJ-GFCCVEGCSA-N	303.362	1.684	50	20	DDGD	
COC(=O)Nc1ccc(CCNC(=O)NNC(=O)C(C)C)cc1	491405358	MAMYIASMZGLBID-UHFFFAOYSA-N	322.365	1.394	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1	823852579	JWFZJSCOLAFGKA-LLVKDONJSA-N	300.786	1.761	50	20	DDGD	
CS(=O)(=O)CCCCNC(=O)/C(C#N)=C\c1ccc(O)cc1	491177922	ZSEABJFKPZJMFG-RAXLEYEMSA-N	322.386	1.240	50	20	DDGD	
O=C(CSC1CC1)NNC(=O)c1cccc(OC(F)F)c1	823087692	DNJWOPUTRPOFBZ-UHFFFAOYSA-N	316.329	1.945	50	20	DDGD	
O=C(CC[C@H]1CCCO1)NNc1ccc(-c2nn[nH]n2)cc1	826405495	HYYCJAFZTPAISN-GFCCVEGCSA-N	302.338	1.269	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNc1ccc(Cl)nc1	497191854	SHFUDPTZPPPOCB-KWQFWETISA-N	314.773	1.949	50	20	DDGD	
COC(=O)[C@@]1(C)CCCN(C(=O)/C(C#N)=C\c2cnn(C)c2)C1	491129510	GUNCODNULUMJGP-DJXGBFBFSA-N	316.361	1.129	50	20	DDGD	
OB(O)[C@@H]1CCN(Cc2ccc(OC[C@H]3CCCO3)cc2)C1	585077770	YCKGCBKZBBFCJQ-GDBMZVCRSA-N	305.183	1.293	50	20	DDGD	
CCn1nnnc1-c1cccc(NC(=O)NN(C)C2CC2)c1	824198492	FWMAAHPNNSWEIX-UHFFFAOYSA-N	301.354	1.491	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CC=CCC2)cc(-c2nn[nH]n2)n1C	826235087	BKUJVUYRETUWTJ-JYRVWZFOSA-N	323.360	1.209	50	20	DDGD	
C[C@]1(C(=O)N[C@H](CO)CN2CCCCC2)C[C@H]1Br	908118557	MTJTWJBDEJNVNG-LOWVWBTDSA-N	319.243	1.123	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(-n2ccnc2SC)cc1	495447856	JXWWCGDDLODFBJ-UHFFFAOYSA-N	306.347	1.595	50	20	DDGD	
Cc1cc(/C=C(/C#N)C(=O)NOCCO)c(C)n1CC(C)C	490971389	IVWDDFSNYMLFAG-NVNXTCNLSA-N	305.378	1.708	50	20	DDGD	
CCOC(=O)N1CCC[C@@H](C(=O)NNC(=O)CC(C)(C)C)C1	491065570	PPSZEFUUQRQRRP-LLVKDONJSA-N	313.398	1.439	50	20	DDGD	
CCOCC(=O)NN=C1CCC[C@H](NC(=O)OC(C)(C)C)C1	497243553	LVTIFQGMAIGIPE-NSHDSACASA-N	313.398	1.962	50	20	DDGD	
CN(C/C=C/C(=O)NNc1cccc(F)n1)CC(F)(F)F	493410671	ACFJSSVICNZMRZ-ZZXKWVIFSA-N	306.263	1.714	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)C1(Cc2cccc(F)c2)CCOCC1	823923593	TUYCNBHCGNJGFX-CYBMUJFWSA-N	324.396	1.509	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)c1cc(B(O)O)ccc1F)C(F)(F)F	584984068	XMLSFPNYVQUMSY-CPCISQLKSA-N	321.079	1.212	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N2CC[C@@H](c3ccco3)C2)c1	732247021	ARHXXFJWZFIAJF-CQSZACIVSA-N	324.340	1.995	50	20	DDGD	
Cn1c(CNS(=O)(=O)CCl)nc2cccc(Cl)c21	831134844	BYRFYFXDMPGCNK-UHFFFAOYSA-N	308.190	1.842	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)[C@@H](C)Oc1ccc(F)cc1	491746114	ZNFGNOFFGNMUCI-GFCCVEGCSA-N	314.320	1.573	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cccc(NC(=O)O)c2)n1	738379813	RNHUNVWWZCBMCU-UHFFFAOYSA-N	301.306	1.940	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn3ccccc23)c(O)c1	732274546	VIHOWGFYJMCGRI-UHFFFAOYSA-N	310.313	1.423	50	20	DDGD	
Cn1cc(CCC=NNC(=O)CNc2ccccc2F)cn1	834920937	PUALNFQGPLWTRL-UHFFFAOYSA-N	303.341	1.706	50	20	DDGD	
COC[C@H](C)CNC(=O)NNc1ccc(C(=O)OC)c(F)c1	838484107	WPUOBDHSMWSBOK-SECBINFHSA-N	313.329	1.521	50	20	DDGD	
O=C(NNC(=O)c1ccnc(C(=O)O)c1)c1cccc(Cl)c1	833148861	AATUJIQLTGGLEB-UHFFFAOYSA-N	319.704	1.508	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccccc2O)sc1C	730782723	UFWQUVPCFDGGPY-UHFFFAOYSA-N	320.370	1.911	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)NNc1cc(F)c(F)c(F)c1	907094817	IZXYJJZLZSLGQW-SNVBAGLBSA-N	301.268	1.558	50	20	DDGD	
CN(C)[C@H](C(=O)NNc1cnccn1)c1cccc(Cl)c1	734245379	XNQDUSVYNGGLOV-ZDUSSCGKSA-N	305.769	1.876	50	20	DDGD	
Cc1cc(N2CC[C@H](B(O)O)C2)c([N+](=O)[O-])cc1C(F)(F)F	585079245	VUZWNIJRTCEHTG-QMMMGPOBSA-N	318.060	1.975	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)c(F)c1	837210062	XBADFFJFDILIEP-GIPNMCIBSA-N	308.309	1.623	50	20	DDGD	
CC(C)[C@H](CO)[C@H](NCC(=O)NNC(=O)C(C)(C)C)C(C)C	831664019	OIXLXVIUIRVRRS-GXTWGEPZSA-N	315.458	1.059	50	20	DDGD	
C[C@@H](C#N)C(=O)NNc1ccccc1S(=O)(=O)NC(C)(C)C	736680418	LOJSBCLJOVJFHK-JTQLQIEISA-N	324.406	1.366	50	20	DDGD	
CCOC(=O)[C@H](CC(=O)NNc1cc(C)ccc1F)C(C)=O	830821325	QYZCMNMCVAQWLB-LLVKDONJSA-N	310.325	1.736	50	20	DDGD	
Cc1nc(C)c(C=NNC(=O)[C@@H](C)CN2CCOCC2)s1	736427162	KXBWGUOWIMNGTG-JTQLQIEISA-N	310.423	1.178	50	20	DDGD	
Cc1ccc(C)c(C2=NO[C@H](C(=O)NNC(=O)NC(C)C)C2)c1	900416958	KBQKHVOIHXPSIL-AWEZNQCLSA-N	318.377	1.535	50	20	DDGD	
OB(O)[C@H]1CCN(Cc2c[nH]nc2-c2c(F)cccc2F)C1	585076972	RLYYZJXRWUZLHY-JTQLQIEISA-N	307.109	1.404	50	20	DDGD	
C[C@@H](C#N)Oc1ccc(C=NNC(=O)[C@@H]2CCCCO2)cc1	834990614	YUFTYXGURPEFPR-WFASDCNBSA-N	301.346	1.997	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cccc([C@H]2CCOC2)c1	833243649	VTKSZACMNXICOZ-GJZGRUSLSA-N	318.373	1.521	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cccc2nsnc12	912107699	PGLSAYZJEOXQFO-UHFFFAOYSA-N	321.431	1.600	50	20	DDGD	
CC(C)[C@]1(C)C[C@@H]1NC(=O)NNC(=O)c1ccc(C#N)cc1	838767213	XDCAFJVDZNLURD-BBRMVZONSA-N	300.362	1.937	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1cccnc1)c1cccc2ncccc12	732288532	BGHBHFJAHQVIEV-HNNXBMFYSA-N	322.324	1.124	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(C(=O)O)c(F)c2)o1	832911248	BEVFJWYMLCOYTD-UHFFFAOYSA-N	306.249	1.500	50	20	DDGD	
CN(C)CCCOc1ccc(CNS(=O)(=O)CCl)cc1	830388707	SJASGVDXLLBUSB-UHFFFAOYSA-N	320.842	1.633	50	20	DDGD	
CC[C@](C)(CNC(=O)NNc1ccc(-n2ccnc2)nn1)OC	836580335	UHZBSHSWEPOJOM-CQSZACIVSA-N	319.369	1.104	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NN=Cc1cccc(O)c1O	916273709	CAYZEPPCAHCUET-UHFFFAOYSA-N	310.313	1.598	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCCOc1ccc(F)c(Cl)c1	836546034	DYOUXAUQQGDYSB-UHFFFAOYSA-N	317.748	1.844	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2CC(=O)N(C)C2)c1C	914833729	IQSWQJHAVQJPRF-NSHDSACASA-N	320.418	1.099	50	20	DDGD	
CC1CCN(CCNC(=O)NNC(=O)CC(F)(F)F)CC1	918064143	ACPKOOQFJWNMTF-UHFFFAOYSA-N	310.320	1.001	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H](C[C@H]1CCCO1)C(F)(F)F	846228618	PABYDSYLNAVTII-ZJUUUORDSA-N	308.300	1.682	50	20	DDGD	
COC(=O)c1csc(S(=O)(=O)NCCCSC#N)c1	916973454	ZTUIBDNHVNUPFQ-UHFFFAOYSA-N	320.417	1.417	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@@H]1CC[C@@H]2CNC[C@H]2C1	842014652	IIOOIFJCEYGSBV-FXPVBKGRSA-N	311.336	1.374	50	20	DDGD	
CC1(C(=O)NNc2cc(O)nc3ncccc23)CCOCC1	913993956	QHXWZYXPPNIQHA-UHFFFAOYSA-N	302.334	1.595	50	20	DDGD	
COC(=O)c1cc(NNC(=O)N[C@@H]2CCN[C@@H](C)C2)ccc1F	841986948	LPWTUJKQNZMRQO-VHSXEESVSA-N	324.356	1.379	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CCc1ccccc1)C(=O)OC(C)(C)C	840303179	CDGQZYPKMTUDNP-GFCCVEGCSA-N	320.389	1.744	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@@H](C)CSC)cc1	845005952	USRXIFBHMBXJHA-JTQLQIEISA-N	311.407	1.780	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2coc(-c3ccccc3)n2)n1	740113041	YBVDFRDNJLGYGA-UHFFFAOYSA-N	324.344	1.955	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2C[C@H]2C2CCC2)c1	844279811	GGYLFFUTIPGAJT-LSDHHAIUSA-N	301.390	1.950	50	20	DDGD	
CC1(C)Cc2cc(C(=O)NNC(=O)NCC3CC3)ccc2O1	843774962	LVLPTTWWSOQAII-UHFFFAOYSA-N	303.362	1.754	50	20	DDGD	
CS[C@@H]1CC[C@@H](NC(=O)NNC(=O)Cc2cccnc2)C1	743589421	UPSKUUJLEKORIM-VXGBXAGGSA-N	308.407	1.239	50	20	DDGD	
O=C(CCn1cc(Cl)cn1)NNC(=O)c1ccccc1F	917537397	KGSBRCCGOYPKQP-UHFFFAOYSA-N	310.716	1.527	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C[C@@H](OC)C(F)(F)F	844383711	MNTGKYSCUBFEMF-SNVBAGLBSA-N	320.267	1.424	50	20	DDGD	
CC(CCN(C)C)=NNC(=O)C(=O)Nc1ccc(C)c(C)c1	915956143	PJEUZYIUXUTXLX-UHFFFAOYSA-N	304.394	1.686	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@H]1CCN(c2ccc(F)cc2)C1=O	840726848	BDZDPRWNAQVNHU-VNDWYCCKSA-N	317.320	1.491	50	20	DDGD	
O=C(Cc1ccncc1)NN=Cc1ccc(N2CCOCC2)cc1	747641713	HIHXXENQQMWZMD-UHFFFAOYSA-N	324.384	1.611	50	20	DDGD	
CC(CCO)=NNC(=O)COc1cccc(C(F)(F)F)c1	749857786	IDLFNCZUHUATDN-UHFFFAOYSA-N	304.268	1.959	50	20	DDGD	
C[C@H]1CN(C[C@@H](C)C(=O)NN=Cc2cccn2C)C[C@@H](C)O1	916365820	KVBQZHQQLQDWBB-MCIONIFRSA-N	306.410	1.221	50	20	DDGD	
CCN1CC[C@H](OC(=O)/C(C#N)=C\c2cccc(OC)c2)C1=O	849657928	JIEQUHRYFQOOGO-CTXBLAANSA-N	314.341	1.766	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc2cccc(F)c2o1	742054169	XMYRYVVARWFAIU-UHFFFAOYSA-N	309.297	1.552	50	20	DDGD	
COCCn1cc(C=NNC(=O)CCc2ccccc2)cn1	743437470	FGTFWJPOURHXHZ-UHFFFAOYSA-N	300.362	1.612	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCc2ccc(F)cc2C1	749460596	OENWAVUJYCUTLW-UHFFFAOYSA-N	307.369	1.377	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCCC1=NNC(=O)c1ccccc1F	741453336	PKXGAPCEWOVIAN-CYBMUJFWSA-N	312.366	1.899	50	20	DDGD	
CO[C@H](CC(=O)NNC(=O)c1ccccc1C)C(F)(F)F	845097637	VHCWQZYYFCGUIA-SNVBAGLBSA-N	304.268	1.723	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccccc1Cn1cncn1	742533899	XLUQVCSZWPQOGB-UHFFFAOYSA-N	313.361	1.278	50	20	DDGD	
CC(=O)Nc1ccccc1CNC(=O)NNc1cccnn1	743641581	FLUSLPJYGXMJSR-UHFFFAOYSA-N	300.322	1.261	50	20	DDGD	
CC(C)c1ccc(NNC(=O)NC[C@@H]2CNCCCO2)cc1	842010289	JADPERRHBBNQOM-HNNXBMFYSA-N	306.410	1.815	50	20	DDGD	
Cc1cccc2cc(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)oc12	843647338	MHOAJPNGPBKOQK-ZYHUDNBSSA-N	302.330	1.927	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC2(C#N)CCC2)c1F	842199839	JWZGUIVNQUPIGR-UHFFFAOYSA-N	320.324	1.932	50	20	DDGD	
CC(C[C@H]1CCCC(=O)N1)=NNC(=O)CNc1ccccc1F	841604827	VQOLNCKLPFULMV-GFCCVEGCSA-N	320.368	1.789	50	20	DDGD	
C[C@H]1CCC[C@H]([C@H](C)NC(=O)NNC(=O)c2ncccn2)C1	841587207	MZPWAPUECWMOEX-SRVKXCTJSA-N	305.382	1.635	50	20	DDGD	
CSCC(=NNC(=O)CN1CCCC1=O)c1ccccc1	749444338	QCDHMLZCXHCIMN-UHFFFAOYSA-N	305.403	1.492	50	20	DDGD	
CCCNC(=O)NNC(=O)CCCn1cnc2ccccc21	921038339	ULWMDHJCEYGTDM-UHFFFAOYSA-N	303.366	1.557	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1nccnc1C	856724878	XHNIEXIMNFCRLB-UHFFFAOYSA-N	314.345	1.187	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc2cccnc2[nH]1	854286514	RPRZKRKRIAFVOQ-UHFFFAOYSA-N	321.406	1.051	50	20	DDGD	
CN(C/C=C/C(=O)NNC(=O)CC(F)(F)F)CC(F)(F)F	855000920	QOTNSOCLYXNBFP-NSCUHMNNSA-N	321.221	1.137	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H](C)Cc2ccccc2Cl)nc1O	754452282	RUSIXSPFPYNPBH-MRVPVSSYSA-N	321.768	1.861	50	20	DDGD	
CC(C)COc1ccc(CC(=O)NNC(=O)c2cc[nH]n2)cc1	855358673	RXYAFPNKKYGFAG-UHFFFAOYSA-N	316.361	1.448	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1F	853683116	MOEBUODFNPRWPZ-KBPBESRZSA-N	322.384	1.623	50	20	DDGD	
CCn1cnc(C(=O)NNc2ccc(C)c(C(=O)OC)c2)c1	857267636	LNQDAUQXSLHAAN-UHFFFAOYSA-N	302.334	1.755	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2ccon2)cc1C	757850731	AOMAFSGHKXHIQN-UHFFFAOYSA-N	304.306	1.523	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)C(=O)NCC2	756614802	AUMWRXFEBDAGSI-SECBINFHSA-N	304.350	1.171	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](c2ccc(F)cc2)C1	755993097	APAHDHOEFVYYFH-AAEUAGOBSA-N	307.369	1.561	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2ccc(Br)o2)CC1	759081610	NGGFCHPFVCHVGQ-UHFFFAOYSA-N	317.164	1.886	50	20	DDGD	
COC(=O)COc1ccc(C(=O)NCCCSC#N)cc1	854362593	UCISNPFBPBGYOK-UHFFFAOYSA-N	308.359	1.573	50	20	DDGD	
CNC(=O)NN=C(C)c1ccc(I)cc1	920377074	IINGRZZRCVYYDP-UHFFFAOYSA-N	317.130	1.944	50	20	DDGD	
C#CCN1CCC[C@H](NC(=O)NNc2cc(F)ccc2F)C1	924034088	AOVYKTZJAODTRJ-LBPRGKRZSA-N	308.332	1.689	50	20	DDGD	
C[C@@H](CCCc1ccccc1)C(=O)NNC(=O)c1cc[nH]n1	855357961	WNHFJRRLIHBVBC-LBPRGKRZSA-N	300.362	1.830	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)c1ccnc(N2CCCC2)n1	857356706	URHFNMSDEKNZAM-UHFFFAOYSA-N	319.756	1.277	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1cnc(N(C)C)s1	755586667	LXZIFYZXNBQDTO-GFCCVEGCSA-N	323.466	1.781	50	20	DDGD	
O=C(CCCCN1CCCC1)NNC(=S)NCC1CCC1	855092012	MNQUQEPUTPOXCV-UHFFFAOYSA-N	312.483	1.548	50	20	DDGD	
C[C@]1(CNC(=O)COCC(F)(F)F)C[C@@H]1Br	857398722	OWEXLFRYKJNNHN-POYBYMJQSA-N	304.106	1.855	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cccc(SC(F)(F)F)c1	857105347	JYDQUDBQDDYMCG-UHFFFAOYSA-N	321.324	1.621	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)c1cc(C)nc2ccccc12	755639847	OJPCYHZLAIKLRN-NSHDSACASA-N	315.373	1.977	50	20	DDGD	
C[C@@H]1CN(Cc2ccccc2)CC1=NNC(=O)c1cnn(C)c1	751528488	HEVFVJRABYSTKQ-CYBMUJFWSA-N	311.389	1.658	50	20	DDGD	
COc1ccc(N2CCC(=NNC(=O)c3cc[nH]n3)CC2)cc1	853392412	JUSDLUYZBFHMPA-UHFFFAOYSA-N	313.361	1.805	50	20	DDGD	
CCC(=NNC(=O)[C@@H](C)CN1CCCCC1)c1ccn(C)n1	758095030	DWKRZJGYJDRDLR-ZDUSSCGKSA-N	305.426	1.772	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H](CCN)C(F)F)C[C@@H]1Br	857103605	LNESITYOMSLYKO-MHYGZLNHSA-N	314.174	1.442	50	20	DDGD	
C[C@]1(CNC(=O)COC[C@@H]2CCCO2)C[C@@H]1Br	857400969	KCXBHBPZMGEIIY-JBLDHEPKSA-N	306.200	1.472	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)c2cc(Cl)ccc2O)O1	757373447	YIADSTNEPAZEMI-JOYOIKCWSA-N	312.753	1.764	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](C)OCc1cccc(C)c1	868893376	CXOQLABAZKUIJI-LBPRGKRZSA-N	316.361	1.842	50	20	DDGD	
COC(=O)c1ccc(CC(=O)NN[C@H](C)C(F)(F)F)cc1	862321617	YXVNTKPCIRMKTC-MRVPVSSYSA-N	304.268	1.587	50	20	DDGD	
O=C(/C=C/CN1CCOCC1)NNc1c(F)cccc1Cl	867482011	IIBIAVJOFFSFPZ-GORDUTHDSA-N	313.760	1.811	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)CC2CCCC2)COc2ccccc2O1	863863643	JHKCGINAQIXZFI-KRWDZBQOSA-N	318.373	1.944	50	20	DDGD	
COC(=O)[C@H]1CC[C@H](C(=O)NNC(=O)c2cc(C)cs2)CC1	862479119	DBYJZVGSWMYLOG-XYPYZODXSA-N	324.402	1.797	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNC(=O)CCCc1ccccc1	865143238	TVEANHLPRSKQIP-CQSZACIVSA-N	305.378	1.071	50	20	DDGD	
O=C(Cc1ccc(O)c(Cl)c1)NNC(=O)CC(F)(F)F	869021823	YSUHYWMWOPKIIP-UHFFFAOYSA-N	310.659	1.688	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccccc1S(C)(=O)=O)C1CC1	765824473	GZPCZLCMCQMFQN-JTQLQIEISA-N	311.407	1.762	50	20	DDGD	
CCc1nc(O)c(C(=O)NNc2ccc(OC)cn2)cc1C	935536415	JBHHCANMWCZQIN-UHFFFAOYSA-N	302.334	1.819	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)[C@@H]2CSCC(=O)N2)cc1	935303546	RIOPGHWMTARPHB-LBPRGKRZSA-N	307.419	1.659	50	20	DDGD	
Cc1nc2ccnn2c(C)c1C(=O)NN[C@@H](C)C(F)(F)F	862315231	BBHBWCQQQGWNQB-QMMMGPOBSA-N	301.272	1.531	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2ccc(C)c(C)c2Cl)n[nH]1	869016043	ZHFNGRUXHLJDME-UHFFFAOYSA-N	320.780	1.992	50	20	DDGD	
CC(C)CC(=O)NN=C(CNS(C)(=O)=O)c1ccccc1	766686482	BBSKOCDSNHRFBJ-UHFFFAOYSA-N	311.407	1.102	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNC(=O)c1cc(C)cs1	862476418	SUUOTPZVFUQFSJ-UHFFFAOYSA-N	313.379	1.296	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNc1ncnc(Cl)c1C(C)C	868885605	FRTNJURHSJUPOC-SECBINFHSA-N	313.789	1.611	50	20	DDGD	
C[S@@](=O)c1ccc(NC(=O)NNc2ncncc2F)cc1	1117702337	UOIKUGYPWNAWAG-OAQYLSRUSA-N	309.326	1.502	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@@H](c2ccnn2C)C(C)C)cc[nH]1	875525637	BQEDAMWTDCCEMN-CQSZACIVSA-N	316.409	1.611	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1	761624412	JRNWMGBIRQWROI-JTQLQIEISA-N	324.337	1.065	50	20	DDGD	
C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NNC(=O)c1cn[nH]c1	1118863939	HDAUMWSTHGUXRK-PWSUYJOCSA-N	307.398	1.911	50	20	DDGD	
C#CCCCCC(=O)OCC(=O)NNC(=O)c1ccccc1	773649044	SNPDAINUFVRTOR-UHFFFAOYSA-N	302.330	1.184	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)c2cccc(C#N)c2)c1C1CC1	878727180	OZTSFGIHPLSUCE-UHFFFAOYSA-N	323.356	1.727	50	20	DDGD	
O=C(NN=Cc1cccc2ncccc12)[C@H]1CCS(=O)(=O)C1	872339577	QKLWXELHHSRHJT-LBPRGKRZSA-N	317.370	1.120	50	20	DDGD	
CN(C)S(=O)(=O)c1cccc(C(=O)NN=C2CC[C@@H]3C[C@H]23)c1	872330525	PFYLCXMZHLXGAH-MFKMUULPSA-N	321.402	1.453	50	20	DDGD	
C#CCN1CCC[C@H](NC(=O)NNc2cccc(Cl)n2)C1	1119309875	QVSFVNJYAKVVPB-NSHDSACASA-N	307.785	1.459	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C=O)cc1	771971624	ZMOKGLDPMOBUCL-LLVKDONJSA-N	320.345	1.238	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)N[C@H]2CC23CCC3)cc1	873256822	OURZWBPYRAHGDD-AWEZNQCLSA-N	317.389	1.901	50	20	DDGD	
CC[C@H](C)n1nc(C(=O)NNC(=O)c2ccncc2)cc1C	778213400	CQHZJCXSYZZMOU-JTQLQIEISA-N	301.350	1.632	50	20	DDGD	
C=Cn1cc(C=NNC(=O)c2nnc(O)c3ccccc23)cn1	773027663	JLCQAQWQEUIQKJ-UHFFFAOYSA-N	308.301	1.396	50	20	DDGD	
Cn1ccnc(NNC(=O)[C@H]2CCc3c(Cl)cccc32)c1=O	776232351	UPVJHNIUZYEFQT-NSHDSACASA-N	318.764	1.607	50	20	DDGD	
CC[C@@H]1CN(S(=O)(=O)CCCCl)[C@H](CC)CN1C(C)=O	881959322	KAWASYIGMXSPSU-CHWSQXEVSA-N	324.874	1.666	50	20	DDGD	
CC[C@@H](C)[C@@H](NC(=O)NNC(=O)c1c[nH]nc1C)C(F)(F)F	772530667	IJZWPORAMAJFEY-HZGVNTEJSA-N	321.303	1.639	50	20	DDGD	
Cc1nn(C)c(NC(=O)C(=O)NNc2c(F)cccc2F)c1C	773713118	BXVHABAFSCRUCN-UHFFFAOYSA-N	323.303	1.397	50	20	DDGD	
OCCCc1cn([C@]2(Cl)C[C@@H]2CCBr)nn1	881383980	YHATWZPXKQTTLJ-WCBMZHEXSA-N	308.607	1.900	50	20	DDGD	
C[C@H](c1ccccc1)[C@H](CO)NS(=O)(=O)CCCCl	881922970	XMFNNVFDKRFUKP-YPMHNXCESA-N	305.827	1.699	50	20	DDGD	
CC(C)(C)N1C[C@@H](C(=O)NNc2ncncc2Cl)CC1=O	781820623	VVUXUWCJVKHHKY-QMMMGPOBSA-N	311.773	1.220	50	20	DDGD	
CC[C@H](CN1CCCC1)NC(=O)NNc1ccc(C#N)cn1	888561091	KSQMECUFMXISFE-CYBMUJFWSA-N	302.382	1.454	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1	1121966277	WDRUCDXMIQKBTN-UQSNBNBGSA-N	321.421	1.520	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)/C=C/c2nccs2)nc1	1123640019	GHYYGQWGYDOQJC-SNAWJCMRSA-N	304.331	1.481	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnc(OCC(C)C)c(Cl)c1	783041994	JAFWLDOLACOCKH-UHFFFAOYSA-N	314.773	1.734	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=S)Nc2ccc(N(C)C)cc2)CO1	784151464	DICAKELIWGOJCY-WDEREUQCSA-N	322.434	1.495	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21	883139788	ADDQDKAZTGEROL-ARILJUKYSA-N	321.421	1.568	50	20	DDGD	
C[C@@H]1CCCN(C(=O)CCNC(=O)NNC(=O)C(C)(C)C)C1	1122088175	YPNOUUZNJNAMPT-LLVKDONJSA-N	312.414	1.012	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)CCCCl)C[C@H]1Br	882432391	IHUILTVCUMTAJP-SFYZADRCSA-N	304.637	1.708	50	20	DDGD	
Cc1cc(NNC(=O)c2cc3nn[nH]c3cc2F)nc(C)n1	781934530	ILCHAOVXXGPMGI-UHFFFAOYSA-N	301.285	1.261	50	20	DDGD	
CC(C)(C#N)CNC(=O)NNC(=O)NCc1ccc(Cl)cc1	781953842	NZPOJQLEBIENMV-UHFFFAOYSA-N	323.784	1.903	50	20	DDGD	
COc1ccc(F)cc1NC(=O)C(=O)NNc1cc(C)ncn1	783948790	SXDCQAFMYIWSIP-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1csc(-c2ccc(O)cc2)n1	780712914	ZSHDQOVHMFZBLH-UHFFFAOYSA-N	320.374	1.822	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](c2cccc(C)c2)C1	784480959	WDOXOAIWAHARPF-UKRRQHHQSA-N	303.406	1.730	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cccc3nc(O)oc23)n1	794089967	MLULSVQBISMCEF-UHFFFAOYSA-N	312.285	1.312	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53	793956378	YCDBUBSFTNCMMQ-BCWHTBRZSA-N	321.384	1.566	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cncn1-c1ccccc1	791245127	VCPYTOGQUOUQHD-UHFFFAOYSA-N	319.328	1.672	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NNc1ccc(Cl)nn1	798095990	WLQGJRFWXOXWJQ-SKDRFNHKSA-N	311.773	1.737	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2cccc(F)c2[N+](=O)[O-])CCC1	791069080	DNCDRDTYJBWHQT-UHFFFAOYSA-N	310.285	1.093	50	20	DDGD	
COc1cc(C(=O)NN=C2CCOC[C@H]2C)cc(OC)c1OC	794455996	MDNCPVHETUUSPE-SNVBAGLBSA-N	322.361	1.855	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H](C)c2c(C)noc2C)n1	792939007	JSJKCVBJEJMKST-VIFPVBQESA-N	317.349	1.700	50	20	DDGD	
Cc1nccnc1N1CCN(C[C@@H](C)CBr)CC1	799325634	JEEQCWADDUEBMG-NSHDSACASA-N	313.243	1.938	50	20	DDGD	
COC(=O)COc1c(C)cc(/C=C(\C#N)S(N)(=O)=O)cc1C	799893060	DNPREVBHESNMIU-WUXMJOGZSA-N	324.358	1.008	50	20	DDGD	
COC(=O)CC1(CS(=O)(=O)NCCSSC)CC1	790350508	WCUINKXJNCVDAE-UHFFFAOYSA-N	313.466	1.260	50	20	DDGD	
CCc1occc1C(=O)NNC(=O)c1ccc2c(c1)OCO2	797608479	HJNHXTZKOISCSL-UHFFFAOYSA-N	302.286	1.646	50	20	DDGD	
CC(CN1Cc2ccccc2C1)=NNC(=O)N1CCN(C)CC1	792642924	NTLALXKRXKWMEO-UHFFFAOYSA-N	315.421	1.335	50	20	DDGD	
Cc1c(C)c(O)c(C=NNC(=O)N2CCN(C)CC2)c(C)c1O	799886225	LZWYCVZFGASHKQ-UHFFFAOYSA-N	320.393	1.314	50	20	DDGD	
C/C=C(/C=C\C(=O)NNC(=O)c1n[nH]c2c1CCCC2)CC	1319192887	VOXQHMQZYYVQLI-MSRQTSMUSA-N	302.378	1.962	50	20	DDGD	
CO[C@@H](C)CCC(=O)NNC(=O)c1cncn1-c1ccccc1	1320004153	NQVSCGIKBXKVME-LBPRGKRZSA-N	316.361	1.448	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CSc2nnc(C)o2)c1	1320337029	VQDQNFCVFNRZOX-UHFFFAOYSA-N	306.347	1.240	50	20	DDGD	
CC(C)NC(=S)NNC(=O)Cn1ccc2ccc(F)cc21	1326370916	MIVALLZVLZYWMA-UHFFFAOYSA-N	308.382	1.684	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2noc3c2COCC3)nn1	1328727956	YJSDKYLLWVWEMV-UHFFFAOYSA-N	317.349	1.592	50	20	DDGD	
CC1(C)CCc2nc(O)c(C(=O)NNc3cccnn3)cc2C1	1320052829	DDNDTWXXQGARFV-UHFFFAOYSA-N	313.361	1.849	50	20	DDGD	
Cc1c(C(=O)NNc2ccn(C)n2)[nH]c2c1C(=O)CC(C)(C)C2	1320950024	WMXXMGJTFLADQT-UHFFFAOYSA-N	315.377	1.969	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NNC(=O)c2ccc[nH]2)c(C)c1	1321010999	PHCYBSOSLPQKLJ-UHFFFAOYSA-N	315.333	1.149	50	20	DDGD	
Cc1ccc(C(=O)NNc2nncc(N)c2Cl)c(O)c1O	1323604897	CWOZRTPPAQAYLJ-UHFFFAOYSA-N	309.713	1.189	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N[C@H]2C=CCC2)C[C@@H]1Br	1331084060	HPBBBVXIOHLFFO-HOTUBEGUSA-N	301.184	1.111	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(N2CCCC2=O)c(C)c1	1333394775	UWBFHVLZSHHKRP-UHFFFAOYSA-N	320.393	1.737	50	20	DDGD	
O=C(NNC(=O)c1ccc(-n2cccn2)c(F)c1)NC1CC1	1251653247	CIDNEOUZARJREF-UHFFFAOYSA-N	303.297	1.118	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cn(C)cc1C(F)(F)F	1337813989	CBCZXYAHMCGRAK-UHFFFAOYSA-N	315.255	1.150	50	20	DDGD	
Cc1cccc2sc(NNC(=O)CCn3cnnn3)nc12	1339724158	VIHZFRDCLUVKPL-UHFFFAOYSA-N	303.351	1.125	50	20	DDGD	
CC(=O)NC1CCC(C(=O)NNc2ncc(F)cc2F)CC1	1348718213	WPXPPIFZNFZCCU-UHFFFAOYSA-N	312.320	1.498	50	20	DDGD	
COc1ccccc1NCC(=O)NNc1nncc(N)c1Cl	1340554748	KEHRECQIHFRZOH-UHFFFAOYSA-N	322.756	1.276	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCCCC(F)F)c1	1350913422	COIUOLNRWSHDSM-UHFFFAOYSA-N	314.336	1.742	50	20	DDGD	
O=C(O)CCc1ccc(NC(=O)NNC(=O)[C@H]2CCCO2)cc1	1602039725	GSYCGGFNCUXSKK-GFCCVEGCSA-N	321.333	1.036	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)NCC[C@H](O)C(=O)O	1601266811	RUKXOTUFNXDHEY-ZJUUUORDSA-N	307.437	1.652	50	20	DDGD	
O=C(NNc1ncccc1Cl)Nc1ccc(C(=O)O)nc1	1601562296	YANBWUVCJOYCOR-UHFFFAOYSA-N	307.697	1.977	50	20	DDGD	
Cc1sccc1CC(=O)NNc1ccc(-c2nn[nH]n2)cc1	1606184114	GRFBJULDVPDNDJ-UHFFFAOYSA-N	314.374	1.922	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C[C@@H](C)CC(=O)O)cc1C	1600467852	JWKKFSPYUUVQBH-SNVBAGLBSA-N	322.361	1.331	50	20	DDGD	
Cn1cnc(/C=C\C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)c1	1608134778	XAGCURUJPXALOX-DJWKRKHSSA-N	317.257	1.645	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc(CCC(=O)O)cc1	1609690589	IUOSASHKSQUNRI-UHFFFAOYSA-N	307.350	1.903	50	20	DDGD	
O=C(O)c1cc(OC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)ccc1[N+](=O)[O-]	1608857681	WUXLRCRGVXKGTN-FXBDTBDDSA-N	319.269	1.814	50	20	DDGD	
O=C(Cc1ccc(F)cn1)NNc1ccc(-c2nn[nH]n2)cc1	1606598308	SYRZOXIWPPKOAW-UHFFFAOYSA-N	313.296	1.087	50	20	DDGD	
O=C(NN=Cc1c(F)cccc1F)[C@H]1CN2CCC[C@H]2CO1	1549313934	GNKUUDAELCFENY-IINYFYTJSA-N	309.316	1.278	50	20	DDGD	
Cc1ncc2n1CC[C@@H](C(=O)NNc1cccc(C(=O)O)c1)C2	1610563716	DMSQIYUUBPRTAQ-LLVKDONJSA-N	314.345	1.595	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCC[C@@H](C(=O)O)C2)cc1F	1610484748	DIJILQACUOZJCO-CMPLNLGQSA-N	322.336	1.786	50	20	DDGD	
COc1ccc(NNC(=O)Nc2cc(C(=O)O)cs2)nc1	1610342806	SQITTWKIYVJMBM-UHFFFAOYSA-N	308.319	1.999	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cc(-n3cccn3)ccn2)c1	1610848341	FCQMRWTWLYUWEC-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cnn(C)c1)C2	1845164317	ZBTITDPRUUKODG-LBPRGKRZSA-N	324.812	1.255	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)CN	1847867588	YLGLVPCXEJTRKE-NDBYEHHHSA-N	315.845	1.191	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)c2ccncc2)C1	1842395634	PXINKEUCQAOYDF-NSHDSACASA-N	311.744	1.433	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccc(C(=O)O)c(F)c2)[nH]1	1598959591	CSYBVYXBCSHDKK-UHFFFAOYSA-N	321.264	1.396	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1ccc(-c2nn[nH]n2)cc1	1593166729	NXKDVBCUFQQNOE-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
COc1cc(C=NNC(N)=O)cc(Cl)c1O[C@H](C)C(=O)O	1776032903	DJDOVRUAXLESRE-ZCFIWIBFSA-N	315.713	1.203	50	20	DDGD	
COc1nc(C=NNC(=O)c2ccc(C(=O)O)cc2)ccc1C	1776101460	JGIOJADKPWUDQD-UHFFFAOYSA-N	313.313	1.861	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1cccc(F)c1F	158686260	AGHINGIDMAMWRO-UHFFFAOYSA-N	307.322	1.257	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](Cc2ccccc2)C(C)C)[nH]n1	151178720	HNBRUOYITGENNW-AWEZNQCLSA-N	314.389	1.994	50	20	DDGD	
O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNc1ccccc1F	153174809	ORTQGWRQDHLNIF-QWRGUYRKSA-N	319.336	1.444	50	20	DDGD	
Cn1ccnc(NNC(=O)C(C)(C)c2cccc(Cl)c2)c1=O	156260257	RZFLDBDXORCFPG-UHFFFAOYSA-N	320.780	1.855	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)CS(=O)(=O)C(C)(C)C)c1	159473075	ULQQXPKDWLLXLF-UHFFFAOYSA-N	302.371	1.791	50	20	DDGD	
CN(CCCn1ccnc1)S(=O)(=O)CC(C)(C)CCl	866982776	WEEPCDQRDHQIKJ-UHFFFAOYSA-N	307.847	1.800	50	20	DDGD	
O=C(N1CCCC[C@H]1CNS(=O)(=O)CCl)C(F)(F)F	828139283	OUDHEWDLKUSRSJ-ZETCQYMHSA-N	322.736	1.046	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C	55617283	KDRAVNYALXZHFA-MRVPVSSYSA-N	315.351	1.259	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(C#N)c1)[C@@H](C)N1CCOCC1	105300262	XTLAHYFHEUXVIX-QWHCGFSZSA-N	317.393	1.294	50	20	DDGD	
CNC(=O)NNC(=O)CCc1ncc(-c2ccc(OC)cc2)o1	58249591	GIZJHYWUSDEBGY-UHFFFAOYSA-N	318.333	1.243	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc(OC)c(C)c1C	117228422	RRJXCLVFSIURHL-VIFPVBQESA-N	314.407	1.668	50	20	DDGD	
O=C(NNC(=O)c1cccc(OC(F)F)c1)c1cccnc1	27634331	BZTBRDJLIBVXQK-UHFFFAOYSA-N	307.256	1.758	50	20	DDGD	
CNC(=O)NNC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	56371391	NJXRSFFOUCCOOH-AUWJEWJLSA-N	317.393	1.628	50	20	DDGD	
Cc1c([N+](=O)[O-])cc(C(=O)NNc2cnccn2)cc1[N+](=O)[O-]	114879300	AKQOYJAFQIMSAB-UHFFFAOYSA-N	318.249	1.358	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc21)c1ccc(Cl)nc1	113150400	IQEGJMRMYMZHKP-NSHDSACASA-N	317.732	1.672	50	20	DDGD	
Cc1cccc(CC(=O)NNc2nc3ccccc3c(=O)n2C)c1	113187580	GXUHCVSBPPXEGA-UHFFFAOYSA-N	322.368	1.928	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)COCC)cc1OC	22443704	SRGNQKPWIYUALH-UHFFFAOYSA-N	310.350	1.282	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCc2ccco2)c(OC)c1	65177849	CKRPHJWVEOZRGM-UHFFFAOYSA-N	319.317	1.441	50	20	DDGD	
O=C(Cn1c(=O)oc2ccccc21)NNc1ccc(Cl)nn1	118500949	TXZWVXFOKMULMH-UHFFFAOYSA-N	319.708	1.181	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1	63269131	NHLMNXQUGIKMOF-UHFFFAOYSA-N	306.366	1.634	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)NCc2ccco2)cc1	65177633	CZXOCVZAKJNZLE-UHFFFAOYSA-N	317.301	1.210	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cc2ccccc2cc1O	27338118	XHMDUSGFYQDEMC-UHFFFAOYSA-N	315.329	1.232	50	20	DDGD	
O=C(CCl)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1	1341509696	METACADILIUFPN-UHFFFAOYSA-N	306.746	1.444	50	20	DDGD	
Cc1nc(-c2ccccc2)ncc1C(=O)NNc1ncccn1	122196456	RUBCWRKDMVIGAZ-UHFFFAOYSA-N	306.329	1.999	50	20	DDGD	
C[C@@H]1CCC[C@@H]1CC(=O)NNC(=O)COc1ccc(C#N)cc1	184605677	ZJNRFFHXSYMZBI-TZMCWYRMSA-N	315.373	1.911	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccccc1-n1ccnn1	181683374	BTOYVBCWILTIHZ-UHFFFAOYSA-N	303.322	1.437	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2CCC[C@@H](N(C)C)C2)n1	181479605	HROJRIVACOLYSU-VXGBXAGGSA-N	307.398	1.589	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)CCC2CCC2)nc1C	182719061	HROYTSQUAFWXJJ-UHFFFAOYSA-N	306.366	1.985	50	20	DDGD	
O=C(CCCc1nc(C2CC2)no1)NNc1ccnc(F)c1	182500937	VOWJKHXVSYLFDC-UHFFFAOYSA-N	305.313	1.947	50	20	DDGD	
O=C(COCC(F)(F)F)NNC(=O)c1ccc(Cl)cc1	48482552	SLTADXMPARBZNB-UHFFFAOYSA-N	310.659	1.680	50	20	DDGD	
CC[C@H](C)n1ncc(C(=O)NNC(=O)[C@@H]2CCCO2)c1C1CC1	89743719	ALJWIGMUWDXPAP-GWCFXTLKSA-N	320.393	1.672	50	20	DDGD	
CCn1nc(C(C)C)cc1C(=O)NNc1nccnc1OC	132182276	JHKRRDPYQMLKMY-UHFFFAOYSA-N	304.354	1.582	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](C)Oc1ccc(C)cc1	132198566	TVAZHFGVGQKWRY-NSHDSACASA-N	302.334	1.704	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNc1ncnc2ccsc12	132809029	MXYBXGUZDMZNMJ-UHFFFAOYSA-N	302.363	1.799	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(C(F)(F)F)nc1	132139784	WPTVLRMJEYBGJG-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
CCCC(=O)N1CCC[C@H]1C(=O)NNC(=O)NC1CCCCC1	193920575	WHZIEFMIOPYLFE-ZDUSSCGKSA-N	324.425	1.441	50	20	DDGD	
C[C@@H](CN1CCCC1=O)NC(=O)/C(C#N)=C\c1ccc(O)cc1	194338363	SDICKUYGWKUYEQ-CJAAZZPWSA-N	313.357	1.426	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](C)Cn2cccn2)s1	147615878	NDBFYNWVXKMTLT-VIFPVBQESA-N	307.379	1.286	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNC(=O)c1ccccc1OC	92442058	UGISTGAAARVYRU-UHFFFAOYSA-N	302.334	1.066	50	20	DDGD	
Cc1cccc(C)c1OCC(=O)NNc1ncnc2[nH]cnc12	97595095	MQWGDIMQWSGXAU-UHFFFAOYSA-N	312.333	1.492	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2ccc(O)c(O)c2)cc1	254698417	ZMXWEWMWWPRGSJ-UHFFFAOYSA-N	316.313	1.636	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCN(C)Cc1ccc(F)cc1	267294855	JIYZDFWXFISTDG-UHFFFAOYSA-N	324.400	1.634	50	20	DDGD	
COC(=O)CCCNC(=O)NNC(=O)CCCc1ccccc1	263960208	QEQNPTDPAKZGFM-UHFFFAOYSA-N	321.377	1.293	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)[C@@H]1CCN(C)C1=O	265622776	BZTHDWCXECXCKL-LLVKDONJSA-N	312.801	1.041	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)N[C@H]2CCSC2)c1	266764445	HLHWJDWNOKBOBN-LBPRGKRZSA-N	323.418	1.518	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCn2cc(Cl)cn2)n1	266968062	VXSPHFQCZUKGTK-UHFFFAOYSA-N	310.745	1.177	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2ccccc2O)C1	267477398	AZZRWKMYAHDQPV-GHMZBOCLSA-N	320.345	1.133	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2Cc3cc(F)ccc3O2)n1	365748904	KALRNWNELHJHHR-LBPRGKRZSA-N	318.308	1.380	50	20	DDGD	
CC(C)[C@H]1C[C@@H](CC(=O)NNC(=O)c2cccnc2)CCO1	273206300	OVBACPAOIZXGKQ-GXTWGEPZSA-N	305.378	1.684	50	20	DDGD	
CC[C@H](C)n1ncc(C(=O)NNC(=O)NC2CC2)c1C1CC1	270472108	HJQVZIRZHUUNEE-VIFPVBQESA-N	305.382	1.838	50	20	DDGD	
CC(C)(NC(=O)C(F)(F)F)C(=O)NNc1ccc(F)cc1	277103403	PNJYCYPZBBDZNK-UHFFFAOYSA-N	307.247	1.726	50	20	DDGD	
Cc1ccc(NNC(=O)NCC(C)(C)CN2CCCC2)nn1	276966704	XKCQNEPYANDAIA-UHFFFAOYSA-N	306.414	1.533	50	20	DDGD	
Cc1noc(CCC(=O)NNc2ccc(C(F)(F)F)nn2)n1	270049711	MWRPCMOZUNHSQB-UHFFFAOYSA-N	316.243	1.263	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)Nc1ccccc1	272914234	DMMIHVHNHMRFAV-SNVBAGLBSA-N	322.365	1.753	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H]2CCO[C@H](C)C2)c1	272647601	JLPOIVPTNKTRNO-VXGBXAGGSA-N	321.377	1.914	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H]2CCCN2C2CC2)c1	279810148	XFANAVOYLOEBMA-HNNXBMFYSA-N	317.389	1.148	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2O)CCO1	271838654	ARBVUFFPXQYOLR-IUCAKERBSA-N	312.753	1.622	50	20	DDGD	
Cc1onc(-c2cccnc2)c1C(=O)NNC(=O)NC1CC1	375719688	XWGFBBAWYLQODR-UHFFFAOYSA-N	301.306	1.151	50	20	DDGD	
CSSCCNC(=O)N1CCC[C@H](N2CCNC2=O)C1	376954094	RIRATBGGOUCRMJ-JTQLQIEISA-N	318.468	1.197	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCN(C)CC2)c1Cl	282815553	BTSWWLTZNJKPQF-UHFFFAOYSA-N	310.785	1.250	50	20	DDGD	
COCc1cnc(NC(=O)C(=O)NCCSSC)s1	288393064	MIEZRXCOSBGIDU-UHFFFAOYSA-N	321.449	1.355	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](CN(C)C)c1ccc(OC)cc1	286073994	MLQPNCSDGYGBLP-OBEJXRGXSA-N	317.389	1.858	50	20	DDGD	
CCOC1(C(=O)NNC(=O)c2cccc(N(C)C)c2)CCCC1	284006529	VCSOLVVTZNOMEV-UHFFFAOYSA-N	319.405	1.863	50	20	DDGD	
CCn1ncc(C(=O)NN(C)C(=O)OC)c1-c1ccccc1	286465960	UDFADVNFOGBNNW-UHFFFAOYSA-N	302.334	1.913	50	20	DDGD	
CC(C)OCc1ccc(NC(=O)NNC(=O)[C@@H]2CCCO2)cc1	292477331	ADSZFQLKVATGST-AWEZNQCLSA-N	321.377	1.943	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)COc2ccc(F)cc2)no1	294438144	RVFAEILMMUQXAZ-UHFFFAOYSA-N	321.308	1.606	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)[C@@H]1CCCCO1	295552109	MAHLXDNMQRSBIH-SCRDCRAPSA-N	324.327	1.785	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@H](CC)OC)cc1OC	299420828	UJZURQPYVOJUIB-LLVKDONJSA-N	310.350	1.280	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)C2(C(=O)OC)CC2)cc1C	298383610	VRRQHQGSNKRVAW-UHFFFAOYSA-N	320.345	1.568	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Cc2ccc(Cl)s2)O1	294068743	BPJQHURIIZJSKZ-CBAPKCEASA-N	302.783	1.659	50	20	DDGD	
Cc1cccc(C)c1OCCC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	294151697	HQNNILJHUHYTLP-KBPBESRZSA-N	320.389	1.787	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@H]2CCNC(=O)C2)c(Cl)c1	802051115	NTIBPTPJPCTLGA-VIFPVBQESA-N	324.768	1.327	50	20	DDGD	
CCc1ccc(CCC(=O)NNC(=O)N=c2cc[nH]cc2)cc1	802028148	LUVGUZNGCOAOIL-UHFFFAOYSA-N	312.373	1.851	50	20	DDGD	
COc1ccccc1C(C)(C)C(=O)NNC(=O)[C@H]1CCCCO1	295679093	XVJLYWGIOYFJJJ-CQSZACIVSA-N	320.389	1.689	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CNC(=O)NC1CCCCC1	808246243	XKSLQCMNFIUUKO-UHFFFAOYSA-N	310.225	1.880	50	20	DDGD	
O=C(CNC(=O)c1cccc(Cl)c1)NCC(Cl)Cl	294496349	BIBOUBQJRMXOQP-UHFFFAOYSA-N	309.580	1.990	50	20	DDGD	
O=C(NC[C@H]1CCCO1)NNC(=O)Nc1ccc(Cl)cc1	297424186	SCMMQTXHRVBWKE-LLVKDONJSA-N	312.757	1.855	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ccc(F)cc2C)sn1	807002253	UKKSYNCZGSONMY-UHFFFAOYSA-N	308.338	1.981	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NNc1cc(C(F)(F)F)ccn1	295550471	LTYMRFVJPOOQFJ-BQYQJAHWSA-N	300.240	1.987	50	20	DDGD	
CS[C@@H](C)C(=O)NNc1ccccc1S(=O)(=O)N(C)C	292279309	LIBYXDYKJONLGO-VIFPVBQESA-N	317.436	1.132	50	20	DDGD	
CC(C)Oc1cccc(CC(=O)NNC(=O)[C@H]2CCCCO2)c1	295613392	QXHPVBPBVQRCEQ-OAHLLOKOSA-N	320.389	1.733	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NNc1ncc(F)cc1F	298206712	FZKDWIBIXYUDJD-CABZTGNLSA-N	312.320	1.967	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1C(=O)NNC(=O)CNC(=O)c1cccs1	294407859	DKMSTDRKPGBRND-MNOVXSKESA-N	323.418	1.452	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2cnccc2C#N)c1	805156103	HNMWVRHFXXUWHB-UHFFFAOYSA-N	309.329	1.094	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)COc1cc(C)cc(C)c1)C(C)C	298038433	RLMFFCLZUQKHAV-HNNXBMFYSA-N	317.389	1.670	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H](C(=O)NNC(=O)N=c2cc[nH]cc2)C1(C)C	802027528	KOPSKGLMYZQOFP-ZYHUDNBSSA-N	318.377	1.298	50	20	DDGD	
COc1ccccc1N1C[C@H](C(=O)NN(C)C2CC2)CC1=O	819644043	ZBZHWTSUGAUBAS-LLVKDONJSA-N	303.362	1.174	50	20	DDGD	
Cc1nn(-c2ccccc2)c(N)c1C=NNC(=O)Cc1cc[nH]n1	814954914	OSJPWWJHXMRTAU-UHFFFAOYSA-N	323.360	1.179	50	20	DDGD	
C[C@H](CNS(=O)(=O)CBr)CC1(C)OCCO1	715976109	RKTMVAQAEBZOPN-QMMMGPOBSA-N	316.217	1.047	50	20	DDGD	
CC(=NNC(=O)c1cnn(-c2ccccc2)c1)c1cnnn1C	814848141	CYAUPXIIWVXMDN-UHFFFAOYSA-N	309.333	1.155	50	20	DDGD	
COCC(=NNC(=O)c1cnn(C)c1)c1cccc(Cl)c1F	814852774	ORBLBZVESUPSDR-UHFFFAOYSA-N	324.743	1.993	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1cn(-c2ccccc2)nn1	815000360	JVKOSCHJJWZAKS-UHFFFAOYSA-N	307.317	1.240	50	20	DDGD	
CC(C)Oc1ncccc1NC(=O)NNc1ncncc1F	814604755	SFOTYPHPAZEUSD-UHFFFAOYSA-N	306.301	1.947	50	20	DDGD	
C[C@@H]1CCCC[C@H]1C(=O)NNc1ccc(-n2ccnc2)nn1	819531234	VDAGQZYMJUGJDA-VXGBXAGGSA-N	300.366	1.932	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CCCCCC#N)cc1	813374270	ZPUCJMLXKMBOBJ-UHFFFAOYSA-N	316.361	1.555	50	20	DDGD	
O=C(NNC(=O)c1cc2ncccn2n1)c1cccc(Cl)c1	816806910	QOPYSPDPAVEWSS-UHFFFAOYSA-N	315.720	1.458	50	20	DDGD	
CC(=O)N1c2ccccc2C[C@H]1C(=O)NCCCSC#N	816538868	KDHKMJWUQNNUEH-AWEZNQCLSA-N	303.387	1.685	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C1(C)CCOCC1	726799276	NLMBRTNAAVRZRF-UHFFFAOYSA-N	322.361	1.038	50	20	DDGD	
CCN(CCO)NC(=O)c1cnn(-c2ccccc2)c1C(C)C	823846931	OYTRMESLIFIVMM-UHFFFAOYSA-N	316.405	1.955	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNc1cnc2ccccc2n1)C(C)C	821953713	BOXZTRUEADWDLZ-CQSZACIVSA-N	316.361	1.908	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc(Cl)cc1O)C1CC1	727278114	ZCBJGSOELNSXHC-ZETCQYMHSA-N	313.810	1.953	50	20	DDGD	
CN(C)CCCCC(=O)NNc1nc(-c2ccccc2)no1	729534180	HZJYVYRRJUGIEB-UHFFFAOYSA-N	303.366	1.912	50	20	DDGD	
N#C/C(=C/c1ccc(-c2nn[nH]n2)cc1F)C(=O)N1CCCC1	822796735	XDNAVNRQTJBKSJ-GHXNOFRVSA-N	312.308	1.535	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccccc1N(C)C(=O)C1CC1	823971238	RNVFPFDSEAETMT-NSHDSACASA-N	305.378	1.017	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1C[C@]1(C)c1ccccc1	826076005	KKOSOJLGOOTFRC-PLNCSYRRSA-N	317.389	1.472	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H](C)c2nncn2C)cc(C#N)n1C	490639113	QXQGFYCSYVKDLG-QWGQVVDNSA-N	323.360	1.118	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@]2(C)CCCC[C@H]2O)cn1	491007300	FWNJRKMUGMMNEB-KKTHTWOJSA-N	302.378	1.384	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cnn(-c3ccccc3)c2)n1	725801075	QVFRYJRFGXFUQU-UHFFFAOYSA-N	322.372	1.836	50	20	DDGD	
O=C(/C=C\c1ccc[nH]1)NNC(=O)c1cc(Cl)ccc1O	493133984	ULJPAOYULJMCAW-XQRVVYSFSA-N	305.721	1.848	50	20	DDGD	
C[C@@H](C(=O)NNc1ncncc1F)N(C)C(=O)OC(C)(C)C	497042003	YZIVYZNMVDCJRP-QMMMGPOBSA-N	313.333	1.314	50	20	DDGD	
N#Cc1cccc(OCC(=O)NNC(=O)c2cccc(C#N)c2)c1	728826449	ILOLILVEGXVARE-UHFFFAOYSA-N	320.308	1.270	50	20	DDGD	
CCNC(=O)C(C)(C)NC(=O)/C(C#N)=C\c1ccc(O)cc1	491163901	YSVXMGVIGXSRLR-XFXZXTDPSA-N	301.346	1.330	50	20	DDGD	
OC[C@@H](CNCc1cccc(B(O)O)c1)CC1CCCCC1	585037933	OBNKWRJRKZPYQD-MRXNPFEDSA-N	305.227	1.035	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NNc2cccc(F)n2)cc(C#N)n1C	490937159	CGJZJEFPPDEXIH-SDQBBNPISA-N	324.319	1.790	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1cccc(C(=O)OC)n1	821028148	PJYAIQGRCSXCQM-BENRWUELSA-N	317.345	1.318	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cccn2cc(C(F)(F)F)nc12	824627245	KWHCKUCAIJIGAW-UHFFFAOYSA-N	315.255	1.269	50	20	DDGD	
CCN(CCO)NC(=O)Cc1cccc(Br)c1C	823879827	SXXIPSCVBMVACV-UHFFFAOYSA-N	315.211	1.645	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)c1cc(-c2nn[nH]n2)cs1	826446277	GFRKWPXQWJOWML-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
CN(C)CC(=O)NN=C1CCC[C@@H]1CNC(=O)OC(C)(C)C	491680774	VHOKAUYOOHYNKR-LLVKDONJSA-N	312.414	1.345	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)COC1CCCC1	732302719	OVQJAWJFGCNHCB-UHFFFAOYSA-N	312.391	1.492	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cc(O)cc(Cl)c1	901195909	WGZGDFASCFNKCQ-VIFPVBQESA-N	300.742	1.547	50	20	DDGD	
Cc1cccnc1NC(=O)NNc1ccc(-c2nn[nH]n2)cc1	826308979	YWIWWRSGXSKMQI-UHFFFAOYSA-N	310.321	1.719	50	20	DDGD	
CC[C@H](CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C(C)C	494741298	DMHWWHVUBQNOGG-LLVKDONJSA-N	315.414	1.731	50	20	DDGD	
CCS(=O)(=O)C[C@H](C)NC(=O)[C@]1(C)C[C@@H]1Br	906690432	GFSKKLATTAQKEO-OYNCUSHFSA-N	312.229	1.099	50	20	DDGD	
COc1ccc2c(c1)[C@H](C(=O)N1CC[C@@H](B(O)O)C1)CCC2	585063897	JTQVZAMONAZVEE-TZMCWYRMSA-N	303.167	1.190	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)cc1	905119354	XKOBZIBUPQAPTO-NWANDNLSSA-N	314.385	1.970	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCCCO1	834990413	QFRNYHXGQWQTET-INIZCTEOSA-N	317.389	1.542	50	20	DDGD	
CON(C)C(=O)CCC(C)=NNC(=O)c1cccc(N(C)C)c1	834923746	CJMLZYZQZLLSKQ-UHFFFAOYSA-N	320.393	1.658	50	20	DDGD	
O=C(NC[C@H]1CCc2ccccc2C1)NNC(=O)c1ccc[nH]1	735385542	OUCQKQQUXYXRSW-LBPRGKRZSA-N	312.373	1.764	50	20	DDGD	
C[C@]1(C(=O)Nc2n[nH]c(-c3ccccn3)n2)C[C@H]1Br	906374377	GUEXMDSYRLXHAY-PELKAZGASA-N	322.166	1.979	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@]2(C)CCCCO2)c2ccccc21	837317560	LYOJYCXTBXHYHV-QGZVFWFLSA-N	315.373	1.899	50	20	DDGD	
CCn1cc([C@H](C)NC(=O)NNc2nc(C)cc(C)n2)cn1	836645079	SOFJNLBMKZVELC-NSHDSACASA-N	303.370	1.697	50	20	DDGD	
CC(=NNC(=O)C(=O)NC(C)C)c1ccc(C(F)(F)F)cn1	905432313	FAXBRHIUBLHSNZ-UHFFFAOYSA-N	316.283	1.465	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)COc2ccccc2F)c2nccn21	834921476	FXOVOZIFWMPSHG-SNVBAGLBSA-N	302.309	1.886	50	20	DDGD	
COc1cccc(NNC(=O)[C@@]2(C)C[C@H]2Br)n1	907258516	OMAZPUGLTJCZCC-HQJQHLMTSA-N	300.156	1.707	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2C[C@H](OC)C23CCC3)n1	838763490	CXGWMXGGSSGQFG-ZJUUUORDSA-N	307.354	1.069	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)ccc1F	837038475	ULYBYHFHKNQLPN-IRUJWGPZSA-N	308.309	1.623	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(C(F)(F)F)nc1O	836484915	LJENUZRKNRSVPQ-UHFFFAOYSA-N	320.296	1.101	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)o1)c1nc(C(F)(F)F)cs1	585038428	DUVCUTOTGZHCOT-LURJTMIESA-N	320.101	1.286	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncc(F)cc1F)c1nnnn1C1CC1	838569513	WUVXRQXUVLKCSV-ZCFIWIBFSA-N	324.295	1.069	50	20	DDGD	
CNC(=O)NNC(=O)CCc1cc(Br)cs1	730533533	HSMGPPMSEYHJFG-UHFFFAOYSA-N	306.185	1.403	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccc(CN2CCCCC2)c1	839718688	WBGOBRAZCKLCGZ-UHFFFAOYSA-N	318.421	1.979	50	20	DDGD	
CC(Cc1cnccn1)=NNC(=O)c1ccc2c(c1)OCCO2	834937134	JUYLUSCGQUSUKV-UHFFFAOYSA-N	312.329	1.596	50	20	DDGD	
Cc1cc(Cl)c(S(=O)(=O)NNC(=O)O)cc1[N+](=O)[O-]	832885499	BKJPBLJCEYTPTD-UHFFFAOYSA-N	309.687	1.018	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)Cc2ccccc2F)CCN1C	745855073	RERDGSVHNCTHBN-DGCLKSJQSA-N	322.384	1.181	50	20	DDGD	
Cc1noc(Cl)c1CCC(=O)NNC(=O)NCC1CC1	748717830	HMAYSXSIYIMVGV-UHFFFAOYSA-N	300.746	1.309	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1	910184552	SZNHCGUUEJZZFU-BFHYXJOUSA-N	321.421	1.258	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1cccnc1)c1cccc(C#N)c1	743588948	MCUQAUDRKFDWBD-GFCCVEGCSA-N	323.356	1.587	50	20	DDGD	
Cc1c(NNC(=O)NC[C@@H](C(=O)O)C(C)C)cccc1[N+](=O)[O-]	848591927	DFCXYXRMWVSNMN-SNVBAGLBSA-N	324.337	1.886	50	20	DDGD	
O=C(CCCOc1cccnc1)NNc1ccc(Cl)nn1	743453185	NWVLMTLORBHNMF-UHFFFAOYSA-N	307.741	1.827	50	20	DDGD	
CC(C[C@@H]1CCCC(=O)N1)=NNC(=O)COc1ccc(F)cc1	841612728	NFYPCHSTEITJOJ-ZDUSSCGKSA-N	321.352	1.755	50	20	DDGD	
COCC1(C(=O)NNc2ncc(Br)cn2)CC1	848321726	BPNAHXQRQQUHPG-UHFFFAOYSA-N	301.144	1.109	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)N2CCOCC2)c1	745730088	MRTVNCJZTZFGOR-UHFFFAOYSA-N	312.370	1.377	50	20	DDGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCCO)c1C	913150815	IOQKLXLUZNLVMR-AAWHYMEISA-N	306.362	1.755	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN(Cc2ccccc2)C1)C1CCC1	847480663	AFNONHJDDCYFHE-HNNXBMFYSA-N	301.390	1.456	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCC(C)(C)N1CCC[C@@H](C)C1	919797744	SVKKGIQIVIHCEQ-CYBMUJFWSA-N	312.458	1.873	50	20	DDGD	
N[C@H]1CCC[C@H](NC(=O)NNC(=O)c2cccc(Cl)c2)C1	841981830	KORUCUXVNAHLAN-RYUDHWBXSA-N	310.785	1.554	50	20	DDGD	
COCCN(C)c1ccc(C=NNC(=O)[C@H]2CCO[C@@H]2C)cn1	842559602	JGWPJOCABUMREE-OCCSQVGLSA-N	320.393	1.039	50	20	DDGD	
C[C@@H]1CN(CCNS(=O)(=O)CCCCCl)[C@H](C)CO1	849429105	IWAVZAPNKWNNLW-VXGBXAGGSA-N	312.863	1.034	50	20	DDGD	
COc1cc(C)c(C=NNC(=O)[C@H]2CCO[C@@H]2C)cc1OC	842556463	SRAGLFQULZDXHB-YPMHNXCESA-N	306.362	1.887	50	20	DDGD	
CO[C@]1(C=NNC(=O)[C@@H](C)Oc2cccc(C)c2C)CCOC1	841613033	QSGYMXHSVSPKDY-PBHICJAKSA-N	320.389	1.978	50	20	DDGD	
CC(=O)c1ccc(OCCCC(=O)NN(C)C[C@H](C)O)cc1	910183133	NXGFIYPXCGOKKQ-LBPRGKRZSA-N	308.378	1.392	50	20	DDGD	
CCN(CC)c1ncc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)s1	842552611	BMQOHINUWZPDBG-ZYHUDNBSSA-N	310.423	1.864	50	20	DDGD	
CC1CCN(C[C@H](C)C(=O)NN=Cc2cccc(O)c2O)CC1	916362789	OPWSSGWNXXUDBZ-ZDUSSCGKSA-N	319.405	1.916	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CC(C)(C)NC(=O)OC(C)(C)C	910164250	WRLAGSUNNLNJHD-JTQLQIEISA-N	303.403	1.024	50	20	DDGD	
Cc1cscc1C(=O)NNC(=O)COc1ccccc1O	749380724	CRZRJPVRBFXEGK-UHFFFAOYSA-N	306.343	1.602	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCSc1ccccc1	843639107	GHSNUHSJHXJQJI-AAEUAGOBSA-N	308.403	1.741	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cccs1)C[C@H]1CCCCO1	745983593	YLKWSODBKOKHPQ-LLVKDONJSA-N	311.407	1.010	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC[C@H]1CCCN1)c1ccccc1	841936850	LPKRISRJJRBICV-KGLIPLIRSA-N	304.394	1.263	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1ccc(C)cc1O	740763757	OMJVIZLYGVTMOY-UHFFFAOYSA-N	305.378	1.846	50	20	DDGD	
CC(=O)NNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	920929669	YEJQFNOZYLIQRP-UHFFFAOYSA-N	315.358	1.778	50	20	DDGD	
C=C[C@@H](C)ONC(=O)NNC(=O)COc1ccccc1OCC	845638490	HTKMZLOCJJJETQ-LLVKDONJSA-N	323.349	1.301	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1c(OC)cccc1SC	841826081	CVJFJWCGZANYFA-UHFFFAOYSA-N	313.379	1.606	50	20	DDGD	
CCCN(C)c1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	843648820	RURRJDDQKDHRRP-SWLSCSKDSA-N	319.405	1.719	50	20	DDGD	
CO[C@H](C=NNC(=O)CCN1CCCCCC1)[C@H]1CCOC1	841610991	NYSBSRGQJUXQKR-LSDHHAIUSA-N	311.426	1.406	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1(c2ccccc2)CCC1	843641719	HLQFDHSSSJUFHS-JSGCOSHPSA-N	302.374	1.681	50	20	DDGD	
Cc1ccc(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1C	920385531	ZYAACQUBBAEDJZ-ZDUSSCGKSA-N	309.391	1.124	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)C(C)(C)c2ccccc2)CCN1	841984233	ACQOMTMAZATGGF-TZMCWYRMSA-N	318.421	1.435	50	20	DDGD	
CCNC(=O)NN=Cc1ccc(OCCN2CCCC2)cc1	920825180	OOTGWRYJJUJCIX-UHFFFAOYSA-N	304.394	1.814	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cccc2c1N(C)C(=O)CO2	923010042	RRPPDWWRQSARLW-CSKARUKUSA-N	301.302	1.424	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H]1[C@@H](C)CCC[C@H]1C	754930604	WCHPMUCIRPGKBC-QNWHQSFQSA-N	315.414	1.193	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)OCC(F)(F)F)C(=O)N2	853431950	OBCZCCMUXYKXBS-UHFFFAOYSA-N	317.223	1.640	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NC[C@H](CO)CC1CC1	855915548	GDYUHQNAINNZTR-VLHYRRCOSA-N	300.358	1.824	50	20	DDGD	
CO[C@H](C=NNC(=O)c1csc(N2CCOCC2)n1)C1CC1	853275836	YIWSQPYPAZKUCJ-GFCCVEGCSA-N	324.406	1.120	50	20	DDGD	
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)CC(F)(F)F)C1	854315523	XCLALQPJMUMFDX-MRVPVSSYSA-N	310.320	1.142	50	20	DDGD	
CN(C)C(=O)C1CCC(C(=O)NNC(=O)c2ccccc2)CC1	854138726	RNQVPACOSSYCEY-UHFFFAOYSA-N	317.389	1.342	50	20	DDGD	
CC(=NNC(=O)c1ccnc(N(C)C)c1)c1cc(O)cc(O)c1	753700610	MLWWBKWOIKIVIO-UHFFFAOYSA-N	314.345	1.713	50	20	DDGD	
O=C1Nc2cc(O)c(Cl)cc2C1=NNC(=O)[C@H]1CCCCO1	853352634	BZFBZLARZUQGLW-LLVKDONJSA-N	323.736	1.387	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1cnc2n1CCC2	853351871	XTGKHPGZXIKFKF-UHFFFAOYSA-N	300.318	1.064	50	20	DDGD	
CCc1ccc(C(=O)NNC(=S)NC[C@H]2CCCCO2)cc1	758174683	HPWRSQPWPFHAML-CQSZACIVSA-N	321.446	1.927	50	20	DDGD	
C[C@]1(CNC(=O)NCCCNC2CC2)C[C@@H]1Br	857104416	UDURCWAYIWFMAV-CMPLNLGQSA-N	304.232	1.601	50	20	DDGD	
Cc1ccc(OCCCC(=O)NNC(=O)c2cc[nH]n2)cc1C	855357223	DVCUETAXNLHNJZ-UHFFFAOYSA-N	316.361	1.647	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)[C@@H](O)c1ccccn1	857473922	KMCGEIUFEVANJD-LBPRGKRZSA-N	309.272	1.860	50	20	DDGD	
Cc1ccn2ncc(C(=O)NNC(=S)N[C@H](C)C3CC3)c2c1	855099470	ZUBYVGRSGKIGNF-SNVBAGLBSA-N	317.418	1.550	50	20	DDGD	
CCn1nccc1CNC(=O)NNC(=O)Cc1ccccc1F	852715797	YLRGOJIFGJWDNB-UHFFFAOYSA-N	319.340	1.115	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CNC(=O)C2CCCCC2)o1	752522796	GCIRHWXXULIWFB-UHFFFAOYSA-N	307.350	1.046	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc[nH]n2)nn1C1CCCCC1	855356718	QVUUYMAFOXZLAU-UHFFFAOYSA-N	316.365	1.495	50	20	DDGD	
COC(=O)CCC(C)=NNC(=O)COc1ccc(OC)cc1	756870234	IMUHEWJXLRUTBV-UHFFFAOYSA-N	308.334	1.519	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2ccc(C)c(C(=O)OC)c2)CCC1	857267991	TXSRDSMVOFGPDR-UHFFFAOYSA-N	319.361	1.141	50	20	DDGD	
N#Cc1cc(C(=O)NNc2ncnc3[nH]cnc23)ccc1Cl	758209815	LTZGZUURAKEIIX-UHFFFAOYSA-N	313.708	1.635	50	20	DDGD	
Nc1ccc2c(n1)CCCC2=NNC(=O)OCC(F)(F)F	853428568	MFSUYDLGXYOUNH-UHFFFAOYSA-N	302.256	1.993	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(C#N)ccc1Br)N(C)C	855617635	ZFSJWKFVBPWICG-QMMMGPOBSA-N	311.183	1.714	50	20	DDGD	
COCC1(C)CN(C(=O)NC[C@]2(C)C[C@H]2Br)C1	856954250	HTLBIPZDKWTBBN-SKDRFNHKSA-N	305.216	1.838	50	20	DDGD	
CCOc1ccccc1C(=O)NNC(=S)N[C@@H](C)C1CC1	855102006	FQIHNCGHDAKEFT-JTQLQIEISA-N	307.419	1.993	50	20	DDGD	
C[C@H](C(=O)NNc1ncc(F)cn1)c1ccc([N+](=O)[O-])cc1F	755637093	BKQFPAZJOJNWKU-ZETCQYMHSA-N	323.259	1.910	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc2c(C)cccn2c1	930733430	SOMSLSZNSIBGAS-UHFFFAOYSA-N	304.350	1.228	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cc(C(=O)O)cs1	755631123	IPGLYRLXZYXQFD-UHFFFAOYSA-N	310.360	1.557	50	20	DDGD	
COc1cccc(OC)c1C=NNC(=O)Cc1cc(C)[nH]n1	755627535	LOOPLZKZIOEHPN-UHFFFAOYSA-N	302.334	1.428	50	20	DDGD	
Cc1cc(CNC(=O)NNc2cccc([N+](=O)[O-])c2C)ncn1	757665307	UZUZRRLIDBVXEL-UHFFFAOYSA-N	316.321	1.828	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cc(Cl)cs1	757854793	DNAQLQABHDOGMZ-UHFFFAOYSA-N	301.677	1.908	50	20	DDGD	
C[C@H](NNC(=O)[C@H](C)CNC(=O)OC(C)(C)C)C(F)(F)F	862320359	QDUGZKSPYKTFSG-SFYZADRCSA-N	313.320	1.719	50	20	DDGD	
Cc1noc(C)c1C=NNC(=O)c1ccc2c(c1)OCCO2	767486285	ILUUWLYYHFRCSO-UHFFFAOYSA-N	301.302	1.827	50	20	DDGD	
O=S(=O)(NC[C@H]1COCO1)c1ccc(CCCCl)cc1	867398551	XUUPZPCAGAQXNA-LBPRGKRZSA-N	319.810	1.509	50	20	DDGD	
COc1ccc(C(=O)NNc2ncnc3[nH]cnc23)nc1Cl	768712439	ROCYFZGIWRTVBJ-UHFFFAOYSA-N	319.712	1.167	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C2CCc3cccc(Cl)c3C2)N1	863151442	MEODHMUKIIXFTJ-CYBMUJFWSA-N	305.765	1.580	50	20	DDGD	
CCOC(=O)[C@@H](C)[C@@H](C)NS(=O)(=O)CC(C)(C)CCl	867097246	UWILXSVSTYZHBG-VHSXEESVSA-N	313.847	1.759	50	20	DDGD	
Cc1nc(-c2ccc(C)c(NCc3ccccc3B(O)O)c2)n[nH]1	864030280	IYAAIRJCIFNRRK-UHFFFAOYSA-N	322.177	1.380	50	20	DDGD	
C[C@H](CC(=O)NNCC(F)(F)C(F)(F)F)n1cccn1	863102361	ZZPNSYBUWDWKAB-SSDOTTSWSA-N	300.231	1.653	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)c1cnn2c1CCC2	862289639	UEKJJYUEKKOZRH-UHFFFAOYSA-N	314.345	1.743	50	20	DDGD	
CCCN1CCCN(S(=O)(=O)CC(C)(C)CCl)CC1=O	867170497	NETZUPBGQSEOOW-UHFFFAOYSA-N	324.874	1.526	50	20	DDGD	
Cc1cccc(NNC(=O)C2CCC(C(=O)N(C)C)CC2)n1	862518494	UNLRVVXSCDQOHO-UHFFFAOYSA-N	304.394	1.728	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@@H]1CCCCN(C)C1=O	879758401	RAXMUPIIKQFXBW-NSHDSACASA-N	309.341	1.536	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)CNC(=O)OC	873854826	WCEKSZKFXDOKCH-UHFFFAOYSA-N	324.406	1.231	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@@H](C)CN2CCOCC2)s1	763136408	CFZXHRJOGJRQKR-NSHDSACASA-N	311.407	1.175	50	20	DDGD	
CCCn1cc(C(=O)NNc2nc(O)c3ccccc3n2)nn1	767148108	IOPPAUXKMHWPCV-UHFFFAOYSA-N	313.321	1.094	50	20	DDGD	
CC(C)Cn1nccc1C(=O)NNc1nncc(N)c1Cl	1118281141	WEPNBCNCZTVTRH-UHFFFAOYSA-N	309.761	1.322	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNc1ccnc(Br)c1	779838402	VAAVFDZZOKGMMF-UHFFFAOYSA-N	316.155	1.629	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C(C)(C)c1ccc(F)cc1F	878768673	IOVFZZVEWBCXAG-UHFFFAOYSA-N	322.315	1.735	50	20	DDGD	
N#CSCCCNC(=O)c1csc(-c2cnccn2)n1	773593513	JBQBBULUALLURW-UHFFFAOYSA-N	305.388	1.934	50	20	DDGD	
O=C(CC1(O)CCCC1)NNC(=O)c1nc2ccccc2s1	874913923	VYGNBVJFADVGKZ-UHFFFAOYSA-N	319.386	1.753	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1ocnc1C1CC1	1117709696	HYMGCOLKDOIRHY-UHFFFAOYSA-N	321.358	1.712	50	20	DDGD	
CC1(F)CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)CC1	879381391	AYZSYYVWXSIBSF-UHFFFAOYSA-N	318.352	1.143	50	20	DDGD	
C[C@@H](CBr)CN1CC[C@@H](NC(=O)NC2CC2)C1	770669361	UWLVTHCUURGSRS-GXSJLCMTSA-N	304.232	1.553	50	20	DDGD	
CCc1ccnc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1	774805910	KADYOVBWQYMZBT-UHFFFAOYSA-N	313.313	1.448	50	20	DDGD	
CC(C)Oc1cc(NC(=O)NNC(=O)c2cccnc2)ccn1	779931052	XDQUEZWLXPYEET-UHFFFAOYSA-N	315.333	1.730	50	20	DDGD	
CC[C@@H](CC(F)(F)F)NC(=O)NNC(=O)C1CCOCC1	883570870	PDYISFXVYAMDQB-VIFPVBQESA-N	311.304	1.474	50	20	DDGD	
Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NNc1ccccn1)C2=O	777471758	WYQXEHMSXALZMJ-NSHDSACASA-N	324.340	1.518	50	20	DDGD	
COC(=O)[C@H](C)n1cccc1C=NNC(=O)c1ccc(C#N)cc1	774585594	DTFFLZYAXUDPPM-LBPRGKRZSA-N	324.340	1.858	50	20	DDGD	
Cc1cc(N)ccc1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	772086843	DLGPYBRMDZJQCP-LLVKDONJSA-N	321.377	1.316	50	20	DDGD	
CO[C@]1(C(=O)NNC(=O)c2cc3ccccc3o2)CCSC1	889371110	GJSNNSXHTDGYCX-OAHLLOKOSA-N	320.370	1.716	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1ccc(Cl)cn1	884447167	NIUYVVFTQSKSEA-UHFFFAOYSA-N	312.757	1.710	50	20	DDGD	
C[C@@H]1[C@@H](C)N(S(=O)(=O)CC(C)(C)CCl)[C@H](C)C(=O)N1C	882869822	QUSAPSRXYWXKML-GMTAPVOTSA-N	324.874	1.521	50	20	DDGD	
CN1CC[C@@H](C(=O)NNC(=O)C2CCOCC2)c2ccccc21	883067193	YOSQEOMOGXCNAH-CQSZACIVSA-N	317.389	1.184	50	20	DDGD	
CN([C@H](CC(N)=O)c1ccccc1)S(=O)(=O)CCCCl	882146662	BWXPYRTXZVXWLJ-GFCCVEGCSA-N	318.826	1.494	50	20	DDGD	
CCCn1cc(C(=O)NNc2cccc(C(=O)OC)c2)nn1	780791896	BGUYNHPMUUWSES-UHFFFAOYSA-N	303.322	1.232	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNC(=O)c2cccc(Cl)n2)n1	880696510	GDWHGBJJPKDLEK-VIFPVBQESA-N	321.768	1.337	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H](C)[C@H]2CCCOC2)c1	780863153	RTGYBKXPAADBEG-YPMHNXCESA-N	321.377	1.914	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc(O)cc1O	780854711	NPFHZNOHFKWZQF-UHFFFAOYSA-N	320.732	1.755	50	20	DDGD	
Cc1ccc(F)c(NC(=O)C(=O)NNc2ncc(F)cn2)c1	784949097	FMMZNLIQQNFAHP-UHFFFAOYSA-N	307.260	1.145	50	20	DDGD	
CC(C)C(=O)NNC(=O)C[S@](=O)c1ccc(Cl)cc1	899946577	FFZLVBWHWMASOS-IBGZPJMESA-N	302.783	1.251	50	20	DDGD	
Cc1csc(NC(=O)C(=O)NNc2cccnc2Cl)n1	784848353	JKEFHWQEWJQRRS-UHFFFAOYSA-N	311.754	1.582	50	20	DDGD	
COc1cccnc1NC(=O)NNc1cc(Cl)nc(N)n1	789189661	OUVCCSFJOOKDPH-UHFFFAOYSA-N	309.717	1.264	50	20	DDGD	
C[C@H](C(=O)NNc1ncncc1Cl)n1nnnc1C(C)(C)C	781812982	HGPNNQRJMATOTQ-SSDOTTSWSA-N	324.776	1.118	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccc(C(=O)O)cc1Cl	783817224	YYBZXGMMMSMIDG-UHFFFAOYSA-N	311.725	1.013	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cnc2n1CCCC2	780731230	NYZAGWATOOYLRE-UHFFFAOYSA-N	314.345	1.763	50	20	DDGD	
O=C(CCn1cccc1)NNc1nnc(-c2ccccn2)s1	788566780	HYLDDAHQSXTQOA-UHFFFAOYSA-N	314.374	1.935	50	20	DDGD	
CCn1nccc1NC(=O)C(=O)NNc1ncccc1Cl	784818733	BPINNPUVHKMZLC-UHFFFAOYSA-N	308.729	1.033	50	20	DDGD	
C[C@H](Cc1ccco1)NC(=O)NNc1nc2ccccn2n1	790172156	KXSJQZMFIWKZRK-SNVBAGLBSA-N	300.322	1.580	50	20	DDGD	
O=S(=O)(CBr)Oc1ccccc1-n1cccn1	796027599	MEXHHBBMIDFECS-UHFFFAOYSA-N	317.164	1.933	50	20	DDGD	
O=C(NNc1ncccn1)C1CCC(NC(=O)C2CC2)CC1	792972685	YCXORVZDMSXTDC-UHFFFAOYSA-N	303.366	1.005	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cnc2c(F)cccc2c1	794295049	ZQNJWYHYNKLWPY-UHFFFAOYSA-N	324.315	1.773	50	20	DDGD	
COCCOC1CCN(C(=O)NCCSSC)CC1	790875616	HDYFZTUHQGQNOI-UHFFFAOYSA-N	308.469	1.835	50	20	DDGD	
CO[C@H]1CCC[C@H](CC(=O)NNC(=O)NCC(F)(F)F)C1	798126273	YXSOLACKUWWCDV-IUCAKERBSA-N	311.304	1.474	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)CCc2ccccc2)on1	792995819	NKKDGNLCLSHVSY-UHFFFAOYSA-N	315.329	1.934	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)COC(F)F)c1C	794613839	XANBORBOQXSYPX-JTQLQIEISA-N	316.304	1.457	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNc2ccc(C#N)cc2)nn1	799231890	VQIKUAFBCIIFPA-UHFFFAOYSA-N	312.289	1.283	50	20	DDGD	
CCCNC(=O)CN(CCC)C(=O)NCCSSC	790879048	OJWJXOLBQZKMJS-UHFFFAOYSA-N	307.485	1.945	50	20	DDGD	
Cc1cccc(C(=O)NNS(=O)(=O)c2c(C)cccc2F)n1	794600941	JTNNJGWTJQENLT-UHFFFAOYSA-N	323.349	1.461	50	20	DDGD	
N#C/C(=C/c1cc(Br)ccc1F)S(N)(=O)=O	798230372	QHKVAJYEWVHWNP-YWEYNIOJSA-N	305.128	1.741	50	20	DDGD	
COCCCNC(=O)NN=C1CC[C@H](C)C[C@@H]1n1cncn1	794498902	FUTJNSWXTWXWLA-AAEUAGOBSA-N	308.386	1.331	50	20	DDGD	
COC(=O)C(=O)NN=Cc1csc(-c2ccc(F)cc2)n1	1318965844	MZGJMGYNQUBNAG-UHFFFAOYSA-N	307.306	1.572	50	20	DDGD	
CCc1cc(C(=O)NNc2nc(-c3ccncc3)no2)nn1C	1325148313	PHLCLBVEEZJUQN-UHFFFAOYSA-N	313.321	1.184	50	20	DDGD	
C[C@]1(CNC(=O)CO[C@@H]2CCCNC2)C[C@H]1Br	1328505982	OSQAUMWTJALUPK-CKYFFXLPSA-N	305.216	1.045	50	20	DDGD	
C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NNC(=O)C1CCNCC1	1325366290	KTQSKYVLXYDZEW-YPMHNXCESA-N	310.442	1.531	50	20	DDGD	
CC(C)CSCCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	1325975365	JNXMZSKKVVBCLO-WDEREUQCSA-N	303.428	1.131	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C1C[C@H]2CCC[C@H](C1)C2	1320945650	NQNNLSBHYXOOKG-SRVKXCTJSA-N	310.394	1.692	50	20	DDGD	
O=C(Cn1c(=O)oc2ccccc21)NNc1cccc(F)n1	1258165830	RYVJNMXDRCGYFE-UHFFFAOYSA-N	302.265	1.272	50	20	DDGD	
CC[C@H](CCc1ccccc1)NC(=O)NNC(=O)c1cn[nH]c1	1334930746	ODAZTIUUSSTOPP-CQSZACIVSA-N	315.377	1.765	50	20	DDGD	
O=C(NNc1ccncn1)c1csc(Nc2ccccn2)n1	1334803108	MVXVKMWSIYRVGF-UHFFFAOYSA-N	313.346	1.829	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(C)c1	1337216087	SLJIBCWVMZHBTG-UHFFFAOYSA-N	321.764	1.538	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1ccccc1C(F)F	1330716509	FLGVXYXGQQRHRO-UHFFFAOYSA-N	317.292	1.440	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CC[C@H]3C[C@@H](C)CN3C2)nc1	1346650779	YVIBIJITIAMDHH-UPJWGTAASA-N	304.394	1.654	50	20	DDGD	
COC1(OC)CCN(C(=O)C2CCC(Cl)CC2)C[C@@H]1O	1263846392	QIWHSVUAFPGSRD-MCIGGMRASA-N	305.802	1.366	50	20	DDGD	
C=C(CI)n1cc(CNCC2CC2)nn1	1262385267	FXMQALLWSXNXIM-UHFFFAOYSA-N	318.162	1.683	50	20	DDGD	
CCN1CCOC[C@@H]1C(=O)OC[C@@]1(C)C[C@@H]1Br	1348960680	FHHRBYNUANNGTB-JFGNBEQYSA-N	306.200	1.424	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)C1CCOCC1)c1nccs1	1349788759	SPMZZZCQDXNCCD-VIFPVBQESA-N	312.395	1.004	50	20	DDGD	
CO[C@H]1CCC[C@@H]1C(=O)NNc1nc2ccccc2c(=O)n1C	1346823195	NSLGEZQEAXIOAU-AAEUAGOBSA-N	316.361	1.192	50	20	DDGD	
CC[C@@H](F)C(=O)NNC(=O)c1cccc(Br)c1	1358006391	NBAAESRASIYWLW-SECBINFHSA-N	303.131	1.958	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)C1CC2(C1)CS(=O)(=O)C2	1519824567	BWEVPVZLAQVVFF-UHFFFAOYSA-N	312.366	1.402	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)c1c[nH]nc1C1CC1	1608482653	CQTXQMNNIKCSOX-UHFFFAOYSA-N	304.281	1.881	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1csc(C(=O)O)n1	1608483175	SZNNDVUKELIZPW-UHFFFAOYSA-N	308.275	1.506	50	20	DDGD	
Cn1cnc(/C=C\C(=O)NNc2ccc(C(=O)O)cc2F)c1	1608134242	ORHRNVHYFYWGPD-HYXAFXHYSA-N	304.281	1.414	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@H]1CCC[C@@H](C(=O)O)C1	1601804132	WJHFPTQFRBFANM-WDEREUQCSA-N	313.423	1.173	50	20	DDGD	
COc1ccnc(C(=O)NNc2cccc(F)c2C(=O)O)c1	1607350066	GANBSFHDNDILAQ-UHFFFAOYSA-N	305.265	1.684	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H](C(=O)O)C(C)C)c(F)c1	1604390625	BXHFDOJTVFMLGI-NSHDSACASA-N	312.297	1.412	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCO[C@@H]1c1ccnn1C)C(F)(F)F	1549320589	ORMFTDXEQBNIOC-ONGXEEELSA-N	318.299	1.942	50	20	DDGD	
O=C(NCC[C@@H]1CCNC1)NNc1ccc(F)c(C(=O)O)c1	1610690881	UEMDJKIASZXUFK-VIFPVBQESA-N	310.329	1.150	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1cccc(F)c1	1549314681	JSTYQDIHXCUGGW-LSDHHAIUSA-N	305.353	1.529	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1ccc(O)c(OC)c1	3308992	UTOYZIRSUYOGNA-UKTHLTGXSA-N	304.346	1.851	50	20	DDGD	
Cc1ccc(NNC(=O)C2(n3cccn3)CCNCC2)cc1F	1579723849	NLMZMIYRZBMJLX-UHFFFAOYSA-N	317.368	1.553	50	20	DDGD	
O=C(NOCc1cnn[nH]1)[C@@]12CC[C@@H](C[C@H]1Br)C2	1578014589	FVOPFGUPBNVFMY-JVUFJMBOSA-N	315.171	1.306	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CNc2ccccc2C1	1579787992	HIFACMRGBDXUJJ-AWEZNQCLSA-N	324.384	1.976	50	20	DDGD	
CC(C)[C@H](C(=O)NN=c1sc2ccccc2n1C)[C@@H](C)N	1575413944	NUCKFEJSFCIPMU-MFKMUULPSA-N	306.435	1.791	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2CCC[C@H]2N)cc1C	1579723763	KWFRRBKKXJRXIO-QWHCGFSZSA-N	306.435	1.748	50	20	DDGD	
Nc1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)cn1	1580440061	MXPVFAIJBQQMSA-UHFFFAOYSA-N	323.312	1.394	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)c2ccno2)C1	1842438057	WDRNWVGIKZITHX-SECBINFHSA-N	301.705	1.026	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cncnc1)C2	1845164122	MCVNCIZHFBVFLH-GFCCVEGCSA-N	322.796	1.311	50	20	DDGD	
C#CCCC(=O)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846389439	ODZLGTBSJUMBBX-UHFFFAOYSA-N	303.189	1.407	50	20	DDGD	
CSC[C@@H](C)NC(=O)NNc1ccc(C(=O)O)c(F)c1	1599792951	SJXPNYBAHIFGHG-SSDOTTSWSA-N	301.343	1.902	50	20	DDGD	
O=C(NCC1CC(F)(F)C1)NNc1ncccc1C(=O)O	1594746309	RZPGHAQMIZSTCN-UHFFFAOYSA-N	300.265	1.451	50	20	DDGD	
C[C@](O)(C(=O)NNc1ccc(C(=O)O)cn1)c1ccc(F)cc1	1593376325	YHNLRRKCNXRMGS-OAHLLOKOSA-N	319.292	1.270	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1C[C@@H](C(=O)O)[C@H](c2ccccc2)C1	1591764846	DDHDFHBYVTWVJV-WJAHIIFUSA-N	314.341	1.757	50	20	DDGD	
CO[C@H](C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1)C(C)C	1591311996	KWJAJJBZBWJMRT-NSHDSACASA-N	324.772	1.634	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NNc1cccc(-c2nn[nH]n2)c1	1590163269	HRYLPAPHDHRSBG-UWVGGRQHSA-N	314.349	1.315	50	20	DDGD	
O=C(NCc1ccccc1)NN=Cc1ccccc1-c1nn[nH]n1	1593143823	HAQLVHYECPFWGT-UHFFFAOYSA-N	321.344	1.700	50	20	DDGD	
Cc1nsc(C=NNC(=O)Cc2ccc(F)cc2)c1C(=O)O	1776024119	AILNMJIHYWJQEN-UHFFFAOYSA-N	321.333	1.982	50	20	DDGD	
Cc1[nH]c(C=NNC(=O)[C@@H]2CCO[C@H]2C(C)(C)C)cc1C(=O)O	1776107168	NHBFRAILZXLIBF-DGCLKSJQSA-N	321.377	1.923	50	20	DDGD	
COc1ccc(C(=O)O)cc1C=NNC(=O)c1ccc(O)nc1	1776094388	QKNDYESFQFPRHF-UHFFFAOYSA-N	315.285	1.258	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC1CC1)[C@@H](F)Cl	1795771155	VSSGTWMQOFSGIQ-LSCVPOLPSA-N	302.777	1.959	50	20	DDGD	
C#CC(=O)Nc1ccc(C2(NC(=O)[C@@H](O)CCl)CCC2)cc1	1791198971	FSHWWSSDEAGIMY-ZDUSSCGKSA-N	320.776	1.353	50	20	DDGD	
CC(=O)NNC(=O)Nc1cc(CC2CC2)nn1-c1ccccc1	161006204	BLGICCFUSPNOAZ-UHFFFAOYSA-N	313.361	1.997	50	20	DDGD	
C[C@H](Sc1nncn1C)C(=O)NNc1ccc(F)cc1F	158104653	JQGXWHUMHMEYCC-ZETCQYMHSA-N	313.333	1.717	50	20	DDGD	
Cn1cc(CNC(=O)NNc2ncnc3ccsc23)cn1	164021882	GPDYZINJLNLVCL-UHFFFAOYSA-N	303.351	1.251	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)CCc1cccc(C)c1	156119021	YUBGYUAIKMNRKU-UHFFFAOYSA-N	319.405	1.380	50	20	DDGD	
Cc1ccc2ncc(C(=O)NNc3cccc(F)c3)c(=O)n2c1	154184661	YYZYTVPMAKGFFU-UHFFFAOYSA-N	312.304	1.899	50	20	DDGD	
C#CCSCCNC(=O)NNc1ccc(C(C)(C)C)nn1	154823141	SPKBAZGRDJAIGQ-UHFFFAOYSA-N	307.423	1.767	50	20	DDGD	
O=S(=O)(NCCO[C@@H]1CCOC1)c1ccc(CCl)cc1	921883339	UHMPGBOQWTZVEA-GFCCVEGCSA-N	319.810	1.509	50	20	DDGD	
CC(=O)NNC(=O)CCCCNC(=O)OCc1ccccc1	268652068	OXMKSRPEARGROC-UHFFFAOYSA-N	307.350	1.250	50	20	DDGD	
CSSCCNS(=O)(=O)c1cc(C(=O)O)ccn1	397853033	KUGHCMODSVDWPO-UHFFFAOYSA-N	308.406	1.069	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1	3614064	NKEVNBDHTPNDMT-UHFFFAOYSA-N	309.325	1.707	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)c1cccc([N+](=O)[O-])c1	3621390	JSSJQWRLIIHACI-UHFFFAOYSA-N	303.249	1.809	50	20	DDGD	
CC(=O)c1csc(C(=O)NNC(=O)Cc2cccnc2)c1	106652161	GFEKFNWNOBMTQD-UHFFFAOYSA-N	303.343	1.349	50	20	DDGD	
N#Cc1ccc(NCC(=O)NNC(=O)c2cccc(C#N)c2)cc1	103436864	WALATVGTDPYLRD-UHFFFAOYSA-N	319.324	1.303	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)CC(C)(C)C	171483232	QFLQKXAKGZACQM-YGRLFVJLSA-N	306.362	1.799	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1sccc1OC(F)F	104211909	IUSSMQKLDCOYQY-UHFFFAOYSA-N	315.301	1.763	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NC2CC(c3ccccc3)C2)cn1	117964917	OWMOFWMJDFRMDC-UHFFFAOYSA-N	313.361	1.310	50	20	DDGD	
CC(=O)Nc1nc(C(=O)NNc2ncccc2Cl)cs1	114882636	SYHPXNFXRSRGDH-UHFFFAOYSA-N	311.754	1.907	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1nc(-c2ccncc2)no1)N(C)C	106914845	IMJZBIUJQIUCPM-NSHDSACASA-N	304.354	1.161	50	20	DDGD	
CCCN1CCC(NC(=O)NNc2nc(C)cc(C)n2)CC1	107327118	DPGVGSKHWLLVTC-UHFFFAOYSA-N	306.414	1.594	50	20	DDGD	
CC[C@@H](OC1CCCC1)C(=O)NNC(=O)NCc1ccco1	112881971	NDYWELMAFBWZRM-CYBMUJFWSA-N	309.366	1.848	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1csc([N+](=O)[O-])c1	171817325	PDXXZCXWLURLAM-UHFFFAOYSA-N	323.305	1.799	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=S)N[C@H](C)C2CC2)c1	171168177	DLEWPFKJJCLSSP-LLVKDONJSA-N	307.419	1.668	50	20	DDGD	
CC(C)NC(=O)NNS(=O)(=O)c1ccc(C(C)(C)C)cc1	62930877	JRDAQRQUARLDJM-UHFFFAOYSA-N	313.423	1.885	50	20	DDGD	
COc1ccc(Cl)cc1CC(=O)NNC(=O)c1cnn(C)c1	117678817	LZCUXNGFXLCSOZ-UHFFFAOYSA-N	322.752	1.086	50	20	DDGD	
Cc1ncc(C(=O)NNc2nc3ccccc3c(=O)n2C)s1	172022404	OUIODVLVGGAIMU-UHFFFAOYSA-N	315.358	1.455	50	20	DDGD	
C=CCOc1ccccc1C(=O)NNC(=O)Cc1cccnc1	171511040	NTFMADXHNIDRTC-UHFFFAOYSA-N	311.341	1.650	50	20	DDGD	
Cc1cc(NNC(=O)c2cn(Cc3cccs3)nn2)ncn1	173609018	NMNMLYIBKFKYQW-UHFFFAOYSA-N	315.362	1.243	50	20	DDGD	
CC(C)(C)n1nc(C(=O)NNC(=O)NCC2CC2)cc1C1CC1	65191921	ZKSNSZOYKBSBCK-UHFFFAOYSA-N	319.409	1.870	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCC[C@H]1C[C@H]2CC[C@@H]1C2	177464211	DMGUUKZWQXCXGI-ZNMIVQPWSA-N	316.405	1.781	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@@H]1C[C@@H]1C1CC1	175874457	XICINSPRPLHUFZ-VXGBXAGGSA-N	303.362	1.301	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccc2ncsc2c1	171511655	DFNXWCHIHHEQKS-UHFFFAOYSA-N	312.354	1.695	50	20	DDGD	
Cc1ccc(C)c(OCCC(=O)NNC(=O)c2c[nH]nc2C)c1	110761746	MZZQBHANNLFEDQ-UHFFFAOYSA-N	316.361	1.565	50	20	DDGD	
CC(C)c1ccc(OCC(=O)NNC(=O)NCC2CC2)cc1	65193275	OMTYDIADHVZDKE-UHFFFAOYSA-N	305.378	1.929	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2cccs2)c(OC)c1	21786216	XRQPUMKDQMJZAZ-UHFFFAOYSA-N	320.370	1.769	50	20	DDGD	
CN1C(=C(C#N)C(=O)CCC(=O)N2CCC2)N(C)c2ccccc21	63680713	VKQNACCIPXKKBR-UHFFFAOYSA-N	324.384	1.889	50	20	DDGD	
O=C(/C=C/c1nccs1)NNC(=O)CCOc1ccccc1	61475317	BXHQLBSNAOFBAT-VOTSOKGWSA-N	317.370	1.773	50	20	DDGD	
Cc1cccc(O[C@@H](C)CNC(=O)NNC(=O)c2ccc[nH]2)c1	176049507	AVCDRYSOTYSOGH-LBPRGKRZSA-N	316.361	1.735	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(Cl)c2cccnc12	32261527	RIGWZECCYQVKLF-LBPRGKRZSA-N	319.748	1.828	50	20	DDGD	
CCN(CC)[C@H](C)CNC(=O)NNC(=O)c1ccc(C)s1	129538977	MHTUZDSKMPSJOT-SNVBAGLBSA-N	312.439	1.731	50	20	DDGD	
CCC1(CC)[C@H](NC(=O)NNC(=O)c2ccc[nH]2)C[C@H]1OC	123747100	QQBVJYUXDZIKGO-VXGBXAGGSA-N	308.382	1.552	50	20	DDGD	
Cc1cc(NNC(=O)COc2ccccc2[N+](=O)[O-])nc(C)n1	129088125	NVAHEXKREXDXAE-UHFFFAOYSA-N	317.305	1.524	50	20	DDGD	
O=C(/C=C/c1ccc(Cl)nc1)NNC(=O)Cc1cccnc1	129757871	BLRMVHOEMZVDHI-GQCTYLIASA-N	316.748	1.533	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)[C@H]1OCCc2ccccc21	123873379	LTWFHPMUZKSDFR-LBPRGKRZSA-N	310.317	1.110	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)[C@H]1CC1(Cl)Cl	124323064	FDZWIJLRBAREPB-SNVBAGLBSA-N	317.172	1.544	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	71101640	LGGUHYKYTJJLBQ-JLLWLGSASA-N	324.764	1.677	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)ncn1	126689066	CFFWGXHLXIXPHO-UHFFFAOYSA-N	323.312	1.515	50	20	DDGD	
O=C1CCCN1C1CCN(S(=O)(=O)CCCCCl)CC1	154113996	OYOWLZMRFLLWRH-UHFFFAOYSA-N	322.858	1.422	50	20	DDGD	
Nc1ncc([N+](=O)[O-])cc1C(=O)NNc1ccc(F)cc1F	184379087	KKHGKHSXGQKHHP-UHFFFAOYSA-N	309.232	1.607	50	20	DDGD	
Cc1cc(NNC(=O)c2cn(C)nc2-c2ccccc2)ncn1	180338480	QAJBOPXCPGZLGS-UHFFFAOYSA-N	308.345	1.942	50	20	DDGD	
O=C(COc1ccc(F)c(Cl)c1)NNc1ncc(F)cn1	122684508	OFADXTUXDHRIPZ-UHFFFAOYSA-N	314.679	1.930	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1C	124762311	RLKLKJWGGRFBAG-QMMMGPOBSA-N	311.769	1.780	50	20	DDGD	
Cc1cccc(-n2c(C)cc(C(=O)NNC(=O)CO)c2C)c1	180956563	ALGCIVVZBFKJFB-UHFFFAOYSA-N	301.346	1.156	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccnn1-c1cc(C)ccn1	189837457	DIMLFIDGQFTBPC-NSHDSACASA-N	316.365	1.775	50	20	DDGD	
CC[C@@H](CO)NC(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C	188265287	VTOMEVOOCRPMEK-LRQZKABGSA-N	319.405	1.545	50	20	DDGD	
COC1(C(=O)NNC(=O)Cc2ccccc2F)CCCCC1	185724405	UVXMXIVUSZZFNG-UHFFFAOYSA-N	308.353	1.865	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NC[C@]1(O)CCSC1	183436704	UTBFQECUVXMHTK-WASHYIJTSA-N	306.362	1.717	50	20	DDGD	
O=C(Cc1ccc2c(c1)OCCO2)NNc1ccnc(F)c1	182476284	JNDSYDQZBZKOES-UHFFFAOYSA-N	303.293	1.678	50	20	DDGD	
CC[C@@H](C)Oc1cc(C(=O)NNC(=O)c2ccncc2)ccn1	132478265	NALDDZKNJWGYQI-LLVKDONJSA-N	314.345	1.729	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)no1	43005112	YTJSXKXDLZJSGC-UHFFFAOYSA-N	303.362	1.960	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)c2cc[nH]n2)cc1OC	48029374	RNWGKZHZRNCELA-UHFFFAOYSA-N	318.333	1.282	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1ccc(F)cc1C(F)(F)F	131741861	IBFCOAHLPWKVKR-UHFFFAOYSA-N	300.233	1.174	50	20	DDGD	
CCN1CCC[C@H]1CNC(=S)NNC(=O)OC(C)(C)C	43562353	JRIFBNLFSWAGQI-JTQLQIEISA-N	302.444	1.375	50	20	DDGD	
CCOC1CC(CCNC(=O)NNC(=O)c2ccc(C)o2)C1	191669861	GKTHZYHFQAFYHX-UHFFFAOYSA-N	309.366	1.737	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2ccc(C(C)C)cc2)ncn1	190134959	IOEUKSOHNGGIDY-UHFFFAOYSA-N	313.361	1.990	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)C(=O)c2ccccc2)c1	194536586	MLJRJHXHVOKFAK-UHFFFAOYSA-N	300.705	1.933	50	20	DDGD	
COC(=O)NNC(=O)CCc1ncc(-c2ccc(C)cc2)o1	193161490	UFAAAFBGMZOHRR-UHFFFAOYSA-N	303.318	1.970	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21	130141742	BRKLUDZZHRQOOO-AEGPPILISA-N	310.357	1.687	50	20	DDGD	
C[C@@]1(NNC(=O)NC2CCCCCCC2)CCS(=O)(=O)C1	42952598	PFOKTSCAGHIDDL-CQSZACIVSA-N	317.455	1.480	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)NNc1ccccc1[N+](=O)[O-]	44845634	BHWKRNHRSLGXMA-UHFFFAOYSA-N	315.351	1.109	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2snnc2C)cc1	190484656	AYGOLNLKEWYXLX-UHFFFAOYSA-N	320.374	1.249	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)Cc1c(F)cccc1F	88281342	UUCJWNWOKMCICA-UHFFFAOYSA-N	319.311	1.767	50	20	DDGD	
Cc1ccn(C)c(=O)c1NC(=O)NNc1ccc(Cl)nn1	92928255	SOOFPCFIEKASQD-UHFFFAOYSA-N	308.729	1.286	50	20	DDGD	
C[C@@H]1[C@@H](NCC(=O)NNC(=O)c2ccccc2)CCC[C@H]1C	249523775	QJPRGEPHDZPLEE-IPYPFGDCSA-N	303.406	1.862	50	20	DDGD	
CCN(CC(=O)NNc1nc(-c2cccnc2)no1)C1CC1	269708311	TVVKJYVERUUWJM-UHFFFAOYSA-N	302.338	1.059	50	20	DDGD	
COc1cccc(C(=O)NCC(=O)NNC(=O)CC(C)(C)C)c1	264077671	YWUJHRQVCRUDHJ-UHFFFAOYSA-N	321.377	1.009	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCCN(C(=O)OCC(C)C)CC1	269483910	PQOYEQKRILGFLE-WYMLVPIESA-N	323.393	1.757	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCCn1cnc2ccccc21	264779496	MTAXSXWBAMLAKW-UHFFFAOYSA-N	319.365	1.775	50	20	DDGD	
O=C(NNC(=O)C1CCSCC1)c1ccc(Cl)cc1O	264828201	PMGCBWMKMFYHJS-UHFFFAOYSA-N	314.794	1.950	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N[C@@H]1CCSC1)c1ccccc1	266602709	BOVYJCLVFXXHLN-GFCCVEGCSA-N	307.419	1.800	50	20	DDGD	
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NNc1ccc(OC)cn1	276036142	WWAVJQJPMXXDQP-VHSXEESVSA-N	309.370	1.020	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCSCC(C)C)n1	270073761	HEYOQSCFYNIBKO-UHFFFAOYSA-N	313.427	1.809	50	20	DDGD	
CC(C)OCCCCNC(=O)NNC(=O)c1ccccc1O	272906363	BWDNLIWNEFMQEZ-UHFFFAOYSA-N	309.366	1.541	50	20	DDGD	
CC(C)c1cccc(NC(=O)C(=O)NNC(=O)CC2CC2)c1	274107090	YHRAMRVLJUXMTN-UHFFFAOYSA-N	303.362	1.696	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C[C@H]2CCC[C@@H](OC)C2)n1	279789097	FZWKVUVIWRAIPA-NWDGAFQWSA-N	308.382	1.832	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C1CCN(c2ccc(C)cn2)CC1	371664154	GNSMOSDEQDKYEL-UHFFFAOYSA-N	319.409	1.299	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)Cc2ccoc2C)n1	280304208	OINNMAPAMTXUCX-UHFFFAOYSA-N	302.334	1.778	50	20	DDGD	
CCCc1cc(NC(=O)NNC(=O)c2cccc(C)n2)n(C)n1	280954788	IBRIVYQYPBOHIV-UHFFFAOYSA-N	316.365	1.543	50	20	DDGD	
C[C@H](Sc1ccccn1)C(=O)NNC(=O)NCC(F)(F)F	281309842	SAQRZPPIQPQMIO-ZETCQYMHSA-N	322.312	1.455	50	20	DDGD	
CN(C)C(=O)c1ccnc(NC(=O)NNC(=O)CC(C)(C)C)c1	285323415	XTIOJJBRHDOSOT-UHFFFAOYSA-N	321.381	1.372	50	20	DDGD	
C[C@@H](CC(=O)NNc1cccc(F)n1)NC(=O)C1CCCC1	286542738	IZXZBFRYHVJNPY-JTQLQIEISA-N	308.357	1.749	50	20	DDGD	
C[C@@H]1CCC[C@@H](NC(=O)NNc2ccc(-n3ccnc3)nn2)C1	286468432	BKRMZGVNEMWCCY-VXGBXAGGSA-N	315.381	1.867	50	20	DDGD	
CCOC(=O)c1cc(C(=O)NNC(=O)CC2CCCC2)[nH]c1C	295244457	MBCJDFFTSLUHSF-UHFFFAOYSA-N	321.377	1.841	50	20	DDGD	
CSSCCNC(=O)c1cn(C2CCOCC2)nn1	291170548	ZNEKNDSGQAWYFA-UHFFFAOYSA-N	302.425	1.371	50	20	DDGD	
C[C@@H](Oc1ccc(C=O)cc1)C(=O)NNc1ccnc(F)c1	803089500	BVNVFJUJCPQFHY-SNVBAGLBSA-N	303.293	1.944	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H](C(=O)NNc2cccc3cnccc23)O1	290881954	BKXRWMCDQWDUBG-UONOGXRCSA-N	315.329	1.399	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1nccn1-c1ccccc1	801759257	IDIOHKHSQVMYAB-UHFFFAOYSA-N	324.344	1.677	50	20	DDGD	
O=C(NCCCc1ccc(O)cc1)NNC(=O)[C@H]1CCCCO1	297049622	BQWOKCPURGYYHY-CQSZACIVSA-N	321.377	1.224	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)CC(C)(C)CO	296222598	NULJTVGCHWMHOO-UHFFFAOYSA-N	301.818	1.829	50	20	DDGD	
COc1ccc(C=NNC(=O)Cc2cc(C)[nH]n2)c(C)c1OC	807960866	RQFVFOZHIFSMIH-UHFFFAOYSA-N	316.361	1.737	50	20	DDGD	
CC[C@H](C)CC[C@H](O)CC(=O)NNC(=O)N=c1cc[nH]cc1	802025720	DRRGQMKOUZERJE-AAEUAGOBSA-N	308.382	1.234	50	20	DDGD	
O=C(COCc1cccnc1)NNc1ccc([N+](=O)[O-])cc1	807083128	TXOHLEAWRDTCEI-UHFFFAOYSA-N	302.290	1.650	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNc3ncccn3)(CC1)CC2	292696915	GBWSEMLFYLKVGX-UHFFFAOYSA-N	304.350	1.433	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)O1	294092776	CYRFAEFSYVEKHO-AGSIJNCFSA-N	324.327	1.783	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)Cc2ccccc2OC)cn1	806560644	NJHPFJYKXSZMRF-UHFFFAOYSA-N	314.345	1.136	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ncccc2CSC)n1	290381848	QXNSVDZGVHYIDS-UHFFFAOYSA-N	319.390	1.809	50	20	DDGD	
CCOc1cc(C(=O)NNC(=O)COc2cccc(C)c2)on1	294256589	FZUHXTSRHIRSFR-UHFFFAOYSA-N	319.317	1.222	50	20	DDGD	
CC[C@H](C)[C@@H](C)NC(=O)NNC(=O)COc1ccccc1F	299150206	FSVHEIZNYYBSOZ-WDEREUQCSA-N	311.357	1.970	50	20	DDGD	
COc1cccc(C2(C(=O)NNc3ncc(F)cn3)CC2)c1	802914214	VBPIWDZDJIUWCG-UHFFFAOYSA-N	302.309	1.799	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@@H]1CCOC[C@@H]1C	804869276	XWNRNVPXTPOHAF-STQMWFEESA-N	305.378	1.612	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccccc1F)N1[C@H](C)CC[C@H]1C	299583516	CCXSGOKXNMGGPS-UTUOFQBUSA-N	307.369	1.848	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCCC(=O)OC)cc1	298642827	JKKBUXXWYGRBAH-UHFFFAOYSA-N	307.350	1.146	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2c(F)ccc(O)c2F)nc1	809738014	PCTJMWJIQQGTLY-UHFFFAOYSA-N	323.255	1.609	50	20	DDGD	
Cc1ccccc1C[C@H](C)NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	297449751	SLEJCMDBFVKKIR-YDHLFZDLSA-N	319.405	1.824	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNc2nc3ccccn3n2)o1	294848552	IPDSZFIBXWEUIX-UHFFFAOYSA-N	300.322	1.735	50	20	DDGD	
O=C(NNC(=O)[C@@H](c1ccccc1)C1CC1)[C@H]1CCCCO1	295651056	UZEJOTDMYIUUKP-CABCVRRESA-N	302.374	1.897	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@@H](C)CCCO)cc(C#N)n1C	295758822	BPIMJGOULSRSOZ-QNKXHIPISA-N	314.389	1.637	50	20	DDGD	
Cc1ccc2c(c1)CN(CC(=O)NNC(=O)C1CC1)C(C)(C)C2	815186810	RNLDEOGAKYMHGD-UHFFFAOYSA-N	315.417	1.689	50	20	DDGD	
Cc1c(CC(=O)NNc2ncncc2F)cccc1[N+](=O)[O-]	817083592	OHLJLUIXQZYYLY-UHFFFAOYSA-N	305.269	1.518	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)C(=O)N1CCC(C)CC1	816337665	COZGHZFVWHOUEC-UHFFFAOYSA-N	309.341	1.536	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccnc(NC(=O)C(C)C)c1	815123188	YTPBZJUVEYGKNM-UHFFFAOYSA-N	307.354	1.030	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1ccc(-n2cncn2)cc1	815002726	OLCBRIKKEIZJCA-UHFFFAOYSA-N	307.317	1.240	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C[C@H](C)n2cccn2)ccc1F	819558612	ANEFOOUVVQLTBK-JTQLQIEISA-N	320.324	1.903	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)Cc2ccncc2)ccnc1Cl	810290688	DVXFXEIFYDGVQM-UHFFFAOYSA-N	319.752	1.834	50	20	DDGD	
C[C@H]1C(=NNC(=O)C[N+](C)(C)C)CCN1Cc1ccccc1	811629766	FPGNISKDEQSIPP-AWEZNQCLSA-O	303.430	1.459	50	20	DDGD	
Cc1nc(CNC(=O)NNC(=O)C(C)(C)C)nc2ccccc12	726619050	LXZJJFOLOKTEOV-UHFFFAOYSA-N	315.377	1.815	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)COc1cccc(C)c1	812445700	XCBJZFSQZYUCRR-OLZOCXBDSA-N	308.378	1.440	50	20	DDGD	
O=C(NNc1ncncc1F)[C@H]1C[C@@H](c2ccccc2)OC1=O	817071443	SWJUVSBOCIDKGK-PWSUYJOCSA-N	316.292	1.363	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccc(C(F)(F)F)cn1	817078843	XFWSTGXBRATUKM-UHFFFAOYSA-N	301.203	1.786	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(C)CC(C)(C)C#N)c1	814669271	ORDCMCPHAQYBKT-UHFFFAOYSA-N	302.378	1.238	50	20	DDGD	
Cc1cc(C)c(NNC(=O)N[C@H]2CCC(=O)N(C)C2=O)c(C)c1	824787779	CRNTUEQFAJNCPY-LBPRGKRZSA-N	318.377	1.385	50	20	DDGD	
COC(=O)C1(NC(=O)/C(C#N)=C/c2ccc(O)cc2)CCC1	491014683	YIAQXQHWDREBOU-FMIVXFBMSA-N	300.314	1.511	50	20	DDGD	
Cc1cccc2oc(C(=O)NNC(=O)C3CCOCC3)cc12	829557387	DXMCBMUCQBHTOZ-UHFFFAOYSA-N	302.330	1.929	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccn(CCc2ccccc2)n1	827689694	GOGSMCVFPMQSSJ-UHFFFAOYSA-N	315.377	1.432	50	20	DDGD	
CC(=O)N[C@](C)(C(=O)NC[C@@]1(C)C[C@H]1Br)C(C)C	826859607	UCQMMSUGJFVZKD-RTXFEEFZSA-N	319.243	1.827	50	20	DDGD	
COc1ccc(-c2nc(C(=O)NN(C)[C@@H](C)CO)cs2)cc1	823983130	LNOUCNJIXIEGIA-JTQLQIEISA-N	321.402	1.776	50	20	DDGD	
CC(Cc1cnccn1)=NNC(=O)CNC(=O)OC(C)(C)C	496647004	PVXJJZVLJBDRRD-UHFFFAOYSA-N	307.354	1.036	50	20	DDGD	
CCCN(CC(=O)N(C)C)C(=O)/C(C#N)=C/c1ccc(O)cc1	490911209	UKVXUZIMBGRFSM-GXDHUFHOSA-N	315.373	1.626	50	20	DDGD	
CNC(=S)NNC(=O)c1ccc(Br)cc1Cl	728313160	DHKUQGOBVGFJGM-UHFFFAOYSA-N	322.615	1.841	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H](O)c1ccc(C(F)(F)F)cc1	823202372	HXMCGQJIKXDEBK-GFCCVEGCSA-N	316.279	1.686	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)C1=C(c2ccccc2)SCCO1	822318002	VSKOZPQGLCPKDP-UHFFFAOYSA-N	322.386	1.037	50	20	DDGD	
CCOc1cc(C(=O)NN(C)[C@H](C)CO)cc(Cl)c1O	823988423	RYSWZJZCLRYTNI-MRVPVSSYSA-N	302.758	1.402	50	20	DDGD	
OB(O)c1ccc(CNCCCCc2c[nH]c3ccccc23)o1	585037876	MKNYCARLLGLXBQ-UHFFFAOYSA-N	312.178	1.553	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1	823947571	ZPSFEYYOAUUAKH-LLVKDONJSA-N	301.346	1.203	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NN=c1cc[nH]cc1Cl	496624606	ORDJLDDNYOXRFU-KWQFWETISA-N	314.773	1.371	50	20	DDGD	
CC(C)(C)N1C[C@H](NC(=O)[C@@]2(C)C[C@H]2Br)CC1=O	906879354	VGRRKEWGDVOHIB-KKFJDGPESA-N	317.227	1.676	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H](C)NC(=O)OCc1ccccc1	490869749	UBPCDFZBHRPSIR-NSHDSACASA-N	322.365	1.042	50	20	DDGD	
CCN(CCO)NC(=O)c1cccc(Nc2ccc(C)nn2)c1	823860196	NUSLKGGGZAASDZ-UHFFFAOYSA-N	315.377	1.488	50	20	DDGD	
CCCCCn1nc(C)cc1NC(=O)c1cccc(B(O)O)c1	584959654	DYZUHYBRCDIDQL-UHFFFAOYSA-N	315.182	1.314	50	20	DDGD	
O=C(NNc1ccc(F)cc1)c1cn(C2CCNCC2)nn1	826614206	DERLEMDWWRTBGP-UHFFFAOYSA-N	304.329	1.099	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCSc3ccc(F)cc32)o1	585015086	OCYBGSBFLKEMDZ-LBPRGKRZSA-N	307.155	1.425	50	20	DDGD	
C=CCOc1ccc(/C=C\C(=O)NN(CC)CCO)cc1OC	823834253	YRVSAUCYTIIFOO-CLFYSBASSA-N	320.389	1.619	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)c1sccc1-c1nn[nH]n1	735796856	IYBGREVQTCOCCP-UHFFFAOYSA-N	308.367	1.125	50	20	DDGD	
C[C@H](O)CN(CC(F)F)C(=O)/C(C#N)=C\c1ccc(O)cc1	491080825	FMZLWFNJSAORSP-OGGBREFQSA-N	310.300	1.774	50	20	DDGD	
CC[C@H](C)N(C)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	839512543	ODCRGECBYNVRMF-JTQLQIEISA-N	308.338	1.086	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C[C@@H]1CC[C@H]2C[C@H]12	838121683	INHDMLIDNVTASL-CYDGBPFRSA-N	310.394	1.548	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNc1ccc([N+](=O)[O-])cc1	496435915	IBSSTQNRQJEYKJ-CABZTGNLSA-N	324.337	1.809	50	20	DDGD	
Cc1ccncc1/C=C/C(=O)NNC(=O)c1ccc(C#N)cc1	492503392	QRKXPNAQKBRNTC-VOTSOKGWSA-N	306.325	1.736	50	20	DDGD	
CCCOc1ncccc1CNC(=O)NNc1ccncn1	836304262	LHNBMALEMSXGOH-UHFFFAOYSA-N	302.338	1.487	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)[C@H]2CCCCO2)C[C@@H]1c1ccccc1	839779770	MCEYQVPDIGCUTP-CPUCHLNUSA-N	302.374	1.897	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1nccn1-c1ccccc1	588616245	YSQPECNCCQKBRP-RAXLEYEMSA-N	302.359	1.628	50	20	DDGD	
O=C(N1CC[C@H](B(O)O)C1)C1(c2cc(F)cc(F)c2)CCCC1	585065371	COFDGLBFMXLJIS-LBPRGKRZSA-N	323.148	1.852	50	20	DDGD	
O=C(c1cc(-c2ccccc2F)on1)N1CC[C@@H](B(O)O)C1	585068834	IKBGJEVZOUUBAP-SECBINFHSA-N	304.086	1.170	50	20	DDGD	
C[C@@H](CSc1ccc(F)cc1)C(=O)N1CC[C@H](B(O)O)C1	585065622	HXVKPHLVFGDORA-QWRGUYRKSA-N	311.187	1.629	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1	731341168	YCQFIKAYDVLPIB-ROKHWSDSSA-N	323.437	1.607	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1	730531995	GSLHUJTYZZSHFB-LSDHHAIUSA-N	318.421	1.987	50	20	DDGD	
CCOCC(=O)NN=Cc1cn(C)nc1-c1ccc(F)cc1	834954806	BJJLATYMTISMRB-UHFFFAOYSA-N	304.325	1.713	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(C(=O)OC)c(C)c1	901195084	QYALQMQDCDFULP-LBPRGKRZSA-N	322.361	1.283	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)C(=O)NNc1cnnc2ccccc12	839683806	KDMHNGDCMODOJT-NSHDSACASA-N	310.361	1.685	50	20	DDGD	
Cc1cccc(C)c1CNC(=O)NNC(=O)[C@H]1CCCCO1	836365117	MZNFOCKLCCCDIF-CQSZACIVSA-N	305.378	1.703	50	20	DDGD	
CC(=O)NC1CCC(NC(=O)[C@@]2(C)C[C@@H]2Br)CC1	906505697	KFIBTPCBFQJETC-GVAFYICXSA-N	317.227	1.723	50	20	DDGD	
OB(O)c1ccc(CNCCCCc2c[nH]c3ccccc23)cc1	585037988	PAXVMGJHHFNTQI-UHFFFAOYSA-N	322.217	1.960	50	20	DDGD	
CC(C)Oc1ncccc1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	831307115	RVKUXLFQVCNTQA-WDEREUQCSA-N	322.365	1.447	50	20	DDGD	
CC(C)COc1ccc(NC(=O)c2ccc(B(O)O)cc2)cn1	584952792	XDEDMXPLPZUGNK-UHFFFAOYSA-N	314.150	1.049	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1SC	839513471	ZWSCZZPUIGXVRV-SNVBAGLBSA-N	323.418	1.849	50	20	DDGD	
CC1(C)C[C@@H]1CNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	732825974	DTMQTMFIOJZBGV-MFKMUULPSA-N	319.361	1.203	50	20	DDGD	
COCCN1C[C@@H](C(=O)Oc2ccc([N+](=O)[O-])c(C)c2)CC1=O	914466459	DACQKJQZZRTMBS-NSHDSACASA-N	322.317	1.304	50	20	DDGD	
O=C(NNc1ccccn1)C1CN(C(=O)C2CCCCC2)C1	836781253	OCBLUBKKNSLZMZ-UHFFFAOYSA-N	302.378	1.563	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NN=C1CN2CCC1CC2	915049773	SWPBNMPXQWPYHR-NSHDSACASA-N	305.353	1.791	50	20	DDGD	
CN1CCCC[C@@H]1C(=O)NNc1ccc(Br)nc1	732837793	VVMNUOVJBMAFLT-SNVBAGLBSA-N	313.199	1.772	50	20	DDGD	
COc1ccc2nc(NNC(=O)[C@H]3C[C@@H]3C(=O)O)c(C)cc2c1	833735413	ZWCJCZKVACPBLX-RYUDHWBXSA-N	315.329	1.716	50	20	DDGD	
COCCOCCNC(=O)NNc1cc(Cl)ccc1C	914205165	JFLPNKPFQLQDIZ-UHFFFAOYSA-N	301.774	1.938	50	20	DDGD	
COC(=O)c1ncoc1CCC(=O)NNc1ncccc1C	834348994	XFZAYGNRWRUGFO-UHFFFAOYSA-N	304.306	1.241	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C[C@H](C)OC)cc1	749468992	ILLPZMUEIDFHLQ-RYUDHWBXSA-N	324.377	1.425	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)[C@@H]1C[C@@H]1c1cccc(F)c1	915513024	UGSHRLJIUFVEKT-GHMZBOCLSA-N	302.327	1.214	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)COCCOC)cc1C	914882014	ZDGXTXNXYZKBRD-UHFFFAOYSA-N	300.380	1.043	50	20	DDGD	
CC(C)COc1cccc(OCC(=O)NN(C)C[C@H](C)O)c1	910161375	YJRKBSQEYNVSFA-ZDUSSCGKSA-N	310.394	1.444	50	20	DDGD	
O=C(CSc1cnccn1)NNC(=O)c1ccc(Cl)cc1	742205056	XBGRGARJOGLWDZ-UHFFFAOYSA-N	322.777	1.683	50	20	DDGD	
COCCCOc1cccc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)c1	842554521	JKEGIIUPXHZUNR-CZUORRHYSA-N	320.389	1.977	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNC(=O)COc1ccc(C)c(C)c1	841375799	LVNSEMZTAGKEHA-HNNXBMFYSA-N	322.405	1.891	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1cccc2c1OCO2	841626124	OCQMMTZGNPUNOV-UHFFFAOYSA-N	319.361	1.560	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2ncc(Br)cn2)CCO1	848322177	SGSDPPLUNYENIT-HTQZYQBOSA-N	315.171	1.497	50	20	DDGD	
CC(Cc1nc2ccccc2s1)=NNC(=O)C(=O)NC(C)C	749159374	ZLHZCLRIEXUMIO-UHFFFAOYSA-N	318.402	1.856	50	20	DDGD	
Cc1cccnc1NNC(=O)C1(n2cnnn2)CCCCC1	846002345	OKVYZHZCIZJFPG-UHFFFAOYSA-N	301.354	1.179	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(C)n(-c2ccccn2)c1C	916144207	YGKVKSYMPWUHAX-UHFFFAOYSA-N	302.334	1.880	50	20	DDGD	
O=C(NNC(=O)[C@@H](c1ccccc1)n1cccn1)c1ccc[nH]1	748700191	YHIWEBGVWIRFRY-CQSZACIVSA-N	309.329	1.262	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(Br)o1	843641072	RCYRWFJZBUZFAQ-BQBZGAKWSA-N	317.139	1.228	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H]1CCS(=O)(=O)N1	846198695	PWRVPGPHSPVVMI-LBPRGKRZSA-N	311.407	1.253	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1ccc2c(c1)oc(=O)n2C	842556906	CFMJWCVACSTUFF-KOLCDFICSA-N	303.318	1.007	50	20	DDGD	
C[C@@H]1CC/C(=C/C(=O)NNc2ccccc2S(N)(=O)=O)C1	842262764	XCZKXMYNXNDPRM-QLWWJYNRSA-N	309.391	1.524	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNc1cc(O)nc2ncccc12	913989603	KDGPTSTUMISWIT-IGJMFERPSA-N	302.334	1.592	50	20	DDGD	
CNC(=O)c1ccc(C(=O)NNc2ccc(Cl)nc2)cn1	743816313	PPMZDWKJDYWASX-UHFFFAOYSA-N	305.725	1.247	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNc1ncc(Br)cn1	848319870	DYYLCOMUWPOOFZ-MRVPVSSYSA-N	315.171	1.663	50	20	DDGD	
CC(=O)Nc1ccccc1CNC(=O)NNC(=O)C(C)(C)C	743599321	SQTGVZMXSZKXIS-UHFFFAOYSA-N	306.366	1.522	50	20	DDGD	
O=C(CCN/C(O)=C1\N=CC=CC1=O)NNc1ccc(F)cc1	746112298	YAMOIDUYPAZHSQ-CCEZHUSRSA-N	318.308	1.185	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@H]1CCc2ccccc2C1	845297735	XDKSABDCABCWLN-AWEZNQCLSA-N	313.357	1.915	50	20	DDGD	
C[C@H](Cc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843648640	RKGHJXNCDOVZLC-JTNHKYCSSA-N	308.353	1.577	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(C)c1OC	843655935	OJFHNXUIYPUNNQ-ZYHUDNBSSA-N	322.361	1.198	50	20	DDGD	
CCN1CCC(=NNC(=O)COc2ccccc2OC)[C@@H](C)C1	741456811	IXMFIMJTFDDPMC-ZDUSSCGKSA-N	319.405	1.908	50	20	DDGD	
COc1ccccc1CC(=O)NN=C(C)C[C@@H]1CCCC(=O)N1	841620565	IWMZGHJOSPMCLB-AWEZNQCLSA-N	317.389	1.789	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H](C)Oc2ccccc2F)nn1C	841613231	UZVNWCFCQJPCBG-NSHDSACASA-N	304.325	1.785	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)NC(C)(C)C)c(Cl)n1	929428232	QLAQBRPPIVIKFE-UHFFFAOYSA-N	316.814	1.651	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)Cc2c[nH]c3ccccc23)O1	756899749	OPRPLZJMAOVPGJ-IUODEOHRSA-N	315.373	1.815	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CCc3nnnn3CC2)cc1F	856231629	FMUOAWCKQWZTBO-SNVBAGLBSA-N	304.329	1.216	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C2CC2)cc1	850036281	PGRQFSIVRRPGKR-JTQLQIEISA-N	304.346	1.667	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)[C@H](C)CN2CCCCC2)c[nH]1	753162671	PRKXKVFTGKBPAQ-GFCCVEGCSA-N	320.393	1.373	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cnn(C)c2C2CC2)nc1	759726430	XXWAFTSVLJWKSZ-UHFFFAOYSA-N	315.333	1.236	50	20	DDGD	
Cc1cc(C=NNC(=O)CCCNC(=O)C(C)(C)C)nn1C	853406608	LPYWVDXHLDOFER-UHFFFAOYSA-N	307.398	1.121	50	20	DDGD	
COc1ncc(C)cc1NC(=O)NNC(=O)c1cccnc1	756849635	ZGNCASUVSGCNKP-UHFFFAOYSA-N	301.306	1.260	50	20	DDGD	
Cc1cc(OCC(=O)NNc2cnnn2C)cc(C)c1Cl	857274069	YQZOKBIYQOUSID-UHFFFAOYSA-N	309.757	1.607	50	20	DDGD	
CC1(CC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)CC1	758816445	XGISLEMITBICKM-UHFFFAOYSA-N	315.329	1.053	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cn(-c2ccc(Cl)cc2)nn1	921040997	SUWBTHIBCITLCJ-UHFFFAOYSA-N	322.756	1.275	50	20	DDGD	
O=C(NNC(=O)C1CCN(C2CC2)CC1)OCC(F)(F)F	856020831	VWBVYKQNQXBPQI-UHFFFAOYSA-N	309.288	1.181	50	20	DDGD	
CNS(=O)(=O)C[C@@H]1CCCN1/C(=C/C#N)c1ccc(F)cc1	750800929	IYODGTLNECDHAD-GFKDLEGOSA-N	323.393	1.704	50	20	DDGD	
Cn1cncc1CNC(=O)NC[C@]1(C)C[C@@H]1Br	856857494	CRLAIBNAOWOXLR-ONGXEEELSA-N	301.188	1.393	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)N[C@@H]1CCc2n[nH]cc2C1	852214427	XXAJFRPIIKVJHJ-SNVBAGLBSA-N	306.757	1.642	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1noc2c1CCCCC2)C1CC1	855100226	XLQAIRVEKMIOET-SECBINFHSA-N	322.434	1.851	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1	858244954	LSTOZGMOBOWYLH-JLLWLGSASA-N	323.418	1.814	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1	927896108	OXZDQOQETSUJRW-HHQWOOOKSA-N	323.393	1.946	50	20	DDGD	
C[S@](=O)C1(CNC(=O)NNc2cc(F)ccc2F)CC1	922356228	JRMIGBUOUYZIGY-FQEVSTJZSA-N	303.334	1.502	50	20	DDGD	
CNC(=O)c1cccc(NC(=O)NNC(=O)CC2CC2)c1C	755659013	PLRRTOUNXLGHIG-UHFFFAOYSA-N	304.350	1.307	50	20	DDGD	
O=C(CO)NNC(=O)Nc1cccc(COCc2ccco2)c1	755968658	ANVKFYJZGFCLIA-UHFFFAOYSA-N	319.317	1.141	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNc1ccc(-c2ccccc2)nn1	754472639	YKDSHHANYWSPBR-NSHDSACASA-N	313.361	1.501	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCC(=O)c1ccc(Cl)cn1	854922968	VJRYHOOZQPEFQP-UHFFFAOYSA-N	314.798	1.165	50	20	DDGD	
CCc1nn(C)c(OC)c1C=NNC(=O)OCC(F)(F)F	853428788	UWBQTNIPTASGGX-UHFFFAOYSA-N	308.260	1.614	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1ccc2nc(O)oc2c1	757422372	RKUFQLLCDYVZKV-UHFFFAOYSA-N	304.693	1.761	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@]1(C)COc2ccccc2O1	858777451	MVCNCVUOIJSHOO-HNNXBMFYSA-N	307.350	1.347	50	20	DDGD	
COCCN(C)NC(=O)Cn1nc(C(F)F)cc1C(F)F	935910593	LKMFKUFZOBGMKL-UHFFFAOYSA-N	312.267	1.368	50	20	DDGD	
O=C(C[C@H]1CC(=O)NC1=O)NNc1cccc(C(F)(F)F)c1	935016912	KKQFDBQLOLYFBM-SSDOTTSWSA-N	315.251	1.201	50	20	DDGD	
O=C(CCc1cn[nH]c1)NNC(=O)c1cc2c(s1)CCC2	863854717	WVBWKXUNTDKPRL-UHFFFAOYSA-N	304.375	1.354	50	20	DDGD	
CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CC=C(C#N)CC1	760002646	ATQCXYUUPHLUDK-HIFRSBDPSA-N	318.421	1.889	50	20	DDGD	
CCCN1C[C@H](C(=O)NNCC(F)(F)C(F)(F)F)CC1=O	863102061	TXUYWLDSACKYQY-SSDOTTSWSA-N	317.258	1.063	50	20	DDGD	
COc1ccc(Cl)cc1C(C)=NNC(=O)CS(C)(=O)=O	863188188	PEWOUBCQRPZCHO-UHFFFAOYSA-N	318.782	1.233	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(F)(F)c2ccc(F)cc2)n[nH]1	768273938	KYCLLQNUXRCXQU-UHFFFAOYSA-N	312.251	1.410	50	20	DDGD	
C[C@H](Sc1ccccn1)C(=O)NNC(=O)c1ccccc1O	762443599	NHDLINCAOCPSEI-JTQLQIEISA-N	317.370	1.729	50	20	DDGD	
CCC1(Cn2cc(C(=O)NNc3cccc(C)c3)nn2)COC1	863857923	ZBLQCRCELMJJPW-UHFFFAOYSA-N	315.377	1.770	50	20	DDGD	
Cn1ncnc1COC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	869459461	CTKFYYWTIFXBPO-YGOYTEALSA-N	314.183	1.812	50	20	DDGD	
COc1ccc(NCC(=O)NN=CC2(OC)CCOCC2)cc1	761745101	BWPHVEFOGDVUCZ-UHFFFAOYSA-N	321.377	1.405	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)c1cc(Cl)ccc1O)C1CC1	863852931	ILOSVTOZLMOTJL-GFCCVEGCSA-N	312.753	1.622	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cn(Cc2cccs2)nn1	760923385	VMALHBXKZCPHDN-UHFFFAOYSA-N	319.325	1.074	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1	1116758538	UUPYGDPCPRJHOV-OLZOCXBDSA-N	319.361	1.216	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)[C@@H]1C[C@H]1c1ccco1	863851714	MHTDGZLDFGJHHC-GHMZBOCLSA-N	318.304	1.749	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCCC(C)(C)CO)cc1	1116242983	CNTXNRIDHNLYJM-UHFFFAOYSA-N	323.393	1.438	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@H](C(N)=O)C(C)(C)C	768244061	VBLCZAOBPLDLHN-HTQZYQBOSA-N	307.232	1.812	50	20	DDGD	
CC(C[C@H]1CCCC(=O)N1)=NNC(=O)c1ccc(C)c(O)c1	1119302443	PMLWPUFTTSCBDV-CYBMUJFWSA-N	303.362	1.865	50	20	DDGD	
Cc1c(C(=O)NNc2nc3ccccn3n2)ccc2cncn12	1116748115	WLWOEJIPTDJOBY-UHFFFAOYSA-N	307.317	1.442	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@@H](C1CC1)C(F)(F)F	879587853	GOQBMODAUPGTCG-VIFPVBQESA-N	309.288	1.084	50	20	DDGD	
C[S@@](=O)c1cccc(C(=O)NNC(=O)c2ccccc2F)c1	770210018	ROMNPYYMIWOMLG-JOCHJYFZSA-N	320.345	1.638	50	20	DDGD	
C[C@H](OCC1CC1)C(=O)NNC(=O)c1nc2ccccc2s1	874913043	AOAXTCXNHKWIAR-VIFPVBQESA-N	319.386	1.872	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2cccc3nccn23)c1	770635400	AWXSYYWDFSTJCX-UHFFFAOYSA-N	324.340	1.483	50	20	DDGD	
C[S@@](=O)c1cccc(C(=O)NNC(=O)c2ccccc2O)c1	770224131	ZMXDUTHXGSYKNV-JOCHJYFZSA-N	318.354	1.204	50	20	DDGD	
C=C[C@@](C)(O)C(=O)NNC(=S)Nc1ccc(OC(C)C)cc1	874951557	WBVJRVQGBBMAPY-OAHLLOKOSA-N	323.418	1.728	50	20	DDGD	
Cc1nccc(NC(=O)NNC(=O)c2ccc3ccccc3n2)n1	776494202	VVPDXKIKSXVZKF-UHFFFAOYSA-N	322.328	1.800	50	20	DDGD	
CCCCNC(=O)NN=Cc1nncn1Cc1ccccc1	872345951	YXUBNDPMTOFIOF-UHFFFAOYSA-N	300.366	1.760	50	20	DDGD	
C[C@]1(C(=O)NNc2nncc(N)c2Cl)C[C@@H]1Br	1119626825	HUVHNUPQBVFHQY-CDUCUWFYSA-N	320.578	1.329	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc2[nH]ccc2c1	772099322	UWJMLHIRCWVHGD-VIFPVBQESA-N	303.318	1.271	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1ccnn1CC1CC1	776036732	OZQLMQXJFSNIJJ-UHFFFAOYSA-N	300.322	1.155	50	20	DDGD	
Cc1cc(C)cc(CCNC(=O)NNC(=O)C2CCNCC2)c1	1117964926	FQIQPTHWZCKITJ-UHFFFAOYSA-N	318.421	1.176	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@](C)(OC)C2CC2)cn1	874955818	WZRRZABKFXAOEO-AWEZNQCLSA-N	324.406	1.223	50	20	DDGD	
N#Cc1cccc(NNC(=O)C(=O)Nc2cccc3c2OCO3)c1	773698790	LYGRTZMOCHVZRT-UHFFFAOYSA-N	324.296	1.369	50	20	DDGD	
O=C(CCc1nc[nH]n1)NNc1ccnc(Br)c1	771552576	NLGPARLLCTZKSJ-UHFFFAOYSA-N	311.143	1.038	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccn(CC(C)C)n1	888880760	IHMJPHKZVSTIMW-UHFFFAOYSA-N	316.361	1.623	50	20	DDGD	
CC(=NNC(=O)CO)c1cnn(-c2cccc(Cl)c2)c1C	776781254	YXDSKSHKDREEDV-UHFFFAOYSA-N	306.753	1.667	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1ccc(-n2cccn2)nc1	775502830	WITFRAYVJZRNPC-UHFFFAOYSA-N	314.284	1.345	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(C)[C@H](CO)c1ccccc1	772744308	ZQOAUEXXHPUINU-DZGCQCFKSA-N	321.421	1.234	50	20	DDGD	
CCc1noc(C2CCC(=NNC(=O)c3cnccn3)CC2)n1	778538736	UXILBTYXPAGCIM-UHFFFAOYSA-N	314.349	1.866	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1nnn(CC2CCCC2)c1C	887148345	YBDWLKAEMNYWAH-UHFFFAOYSA-N	317.393	1.341	50	20	DDGD	
O=C(NNC(=O)N1CC[C@@H](CF)C1)c1nc2ccccc2s1	883768404	WXNCKGIRAKLIMU-VIFPVBQESA-N	322.365	1.942	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CNC(=O)Nc1cccc(C)c1	887142196	ZQJKIBHUUVFLAI-UHFFFAOYSA-N	316.361	1.067	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cnc([C@@H](C)OCC)s1	887144633	URIBCVWFINNBDI-SNVBAGLBSA-N	309.391	1.805	50	20	DDGD	
CC(C)(CNC(=O)NNc1ccc(C#N)cn1)N1CCCCC1	887613990	AQMKUPGHIDTMHM-UHFFFAOYSA-N	316.409	1.844	50	20	DDGD	
CSC1(C(=O)NNC(=O)c2ccc3c(c2)OCO3)CCC1	786626164	XLHYOPXDEUQVQH-UHFFFAOYSA-N	308.359	1.462	50	20	DDGD	
OB(O)c1cccc(-c2noc([C@H](O)C3CCCCC3)n2)c1	896943801	JBDVGJSHQIDGMT-CYBMUJFWSA-N	302.139	1.030	50	20	DDGD	
CSC1(C(=O)NNC(=O)CSc2ccccc2O)CC1	788936291	OJDRFTDZKNZOMV-UHFFFAOYSA-N	312.416	1.527	50	20	DDGD	
CCN(CC(=O)NNC(=O)C1CC1)c1ccc2[nH]ccc2c1	788279526	BLBRMVPDSPTNCU-UHFFFAOYSA-N	300.362	1.552	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](CC1CC1)NC(=O)OC(C)(C)C	897721998	RCWWYOBDYAPHTI-JTQLQIEISA-N	315.370	1.409	50	20	DDGD	
CO[C@@H]1CN(C(=O)NC[C@]2(C)C[C@@H]2Br)CCO1	895921540	FALWLRQOWIUVDR-QXEWZRGKSA-N	307.188	1.174	50	20	DDGD	
CC(C)c1nccn1CC(=O)NNC(=O)c1ccccc1O	895522958	XNBNSZYRDMEEMT-UHFFFAOYSA-N	302.334	1.173	50	20	DDGD	
COCC[C@H](Cc1ccco1)NC(=O)NNc1cccnn1	784471506	MBCDUSFSMJMOSH-LLVKDONJSA-N	305.338	1.344	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(C)ccc2-n2cnnc2)nc1	797997484	MOPSMGREPILFEM-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@@H]1CCCc2c(O)cccc21	791257027	GCZOTSPONQNFKN-CYBMUJFWSA-N	323.356	1.998	50	20	DDGD	
C#Cc1cncc(C(=O)NNC(=O)CNc2ccc(C)cc2)c1	798155152	AXERLGVTWODWDJ-UHFFFAOYSA-N	308.341	1.244	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@H]1Cc2ccc(F)cc21	798125330	FIIVOEPOZXIYFY-VIFPVBQESA-N	305.231	1.358	50	20	DDGD	
O=C(C[C@H]1OC(=O)c2ccccc21)NNc1nc2ccccn2n1	791258860	JBLWIZOPLVLPQM-GFCCVEGCSA-N	323.312	1.474	50	20	DDGD	
CO[C@H]1CCC[C@H](CC(=O)NNC(=O)Cc2cccnc2)C1	793428337	YGQNGOPCSIQTFP-JSGCOSHPSA-N	305.378	1.367	50	20	DDGD	
COC(=O)C[C@H]1CCC(=NNC(=O)Cn2nc(C)cc2C)[C@H]1C	794480023	KKKAOWFCZZEMTR-QWHCGFSZSA-N	320.393	1.581	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc(Br)o2)n1	794083028	FAAMQFSFZCRRCM-UHFFFAOYSA-N	324.134	1.820	50	20	DDGD	
Cc1ccc(C(=O)NNc2ncccc2C)cc1S(C)(=O)=O	791220247	COHWEKAIDTUGLY-UHFFFAOYSA-N	319.386	1.859	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2Cc3ccc(F)cc32)n1	792820784	WCKYEWGZYXJDRF-CQSZACIVSA-N	316.336	1.126	50	20	DDGD	
CC(=NNC(=O)C[N+](C)(C)C)c1ccc(-n2ccnc2)cc1	1318440688	FKRKWWZZHAWXOH-UHFFFAOYSA-O	300.386	1.419	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)c1cnc2[nH]cnc2c1	1319597424	CQLQGEMJHJCCQM-UHFFFAOYSA-N	315.720	1.686	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1n[nH]c2c1CCCC2)[C@H]1CCOC1	1326100201	CUKKSPMOSBYCOW-GWCFXTLKSA-N	306.366	1.056	50	20	DDGD	
CC(=NNC(=O)c1cccc(C(=O)O)c1)C1CCN(C)CC1	1328535788	AIXHAHWGEXZIIY-UHFFFAOYSA-N	303.362	1.832	50	20	DDGD	
C=C(CBr)COC(=O)Cc1nnn(C(C)(C)C)n1	1327515952	FFTPGYPZBSRVFE-UHFFFAOYSA-N	317.187	1.465	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1ncoc1C1CC1	1326265048	DGUVGLLPLSPISO-UHFFFAOYSA-N	312.289	1.754	50	20	DDGD	
COC(=O)c1ccc(SCC(=O)NNC(=O)C2CC2)cc1	1322093868	UQTNAVIGCMIMDI-UHFFFAOYSA-N	308.359	1.123	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)Cc1c[nH]c2ccccc12	1336783007	CFGHVJBTFLJTSM-UKRRQHHQSA-N	315.373	1.673	50	20	DDGD	
CCN1CCN(CCNC(=O)c2cccc(CCl)c2)CC1	1338845663	GJTKLWJJOBAXBM-UHFFFAOYSA-N	309.841	1.793	50	20	DDGD	
COCCn1cc(CNC(=O)[C@@]2(C)C[C@@H]2Br)cn1	1262172849	LLJWFKSCLFMMCV-JQWIXIFHSA-N	316.199	1.319	50	20	DDGD	
CCOc1ccc(NNC(=O)c2cnn3c2NCCC3)cc1	1347126598	PWAQIMYLVDTPNQ-UHFFFAOYSA-N	301.350	1.854	50	20	DDGD	
CC(=O)NC1CCC(C(=O)NNc2ccnc(Cl)c2)CC1	1520328618	DXFIVDGEIFLLIO-UHFFFAOYSA-N	310.785	1.873	50	20	DDGD	
Cc1c(Br)c(C(=O)NNC(=O)C2CCC2)nn1C	1520982301	YQBIABJIKQNEBT-UHFFFAOYSA-N	315.171	1.052	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(C[C@@H](C)C(=O)O)cc1	1606488223	UIDMXMMKFCNFLY-SECBINFHSA-N	309.322	1.685	50	20	DDGD	
O=C(O)c1ccccc1-c1ccc(CN2CC[C@@H](B(O)O)C2)o1	1602462365	DRMIYJNMPPKQBU-LLVKDONJSA-N	315.134	1.694	50	20	DDGD	
O=C(CCCCc1cnn[nH]1)NNc1ccc(C(=O)O)c(F)c1	1608302529	FCZMADJRERBSNP-UHFFFAOYSA-N	321.312	1.498	50	20	DDGD	
O=C(NCCCOC(F)F)NNc1ccc(F)c(C(=O)O)c1	1601499420	IDTVASSKFBQSCK-UHFFFAOYSA-N	321.255	1.779	50	20	DDGD	
Cn1c(C#N)ccc1C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1600899259	HXQDZQMVPCGHJL-UHFFFAOYSA-N	315.241	1.722	50	20	DDGD	
CCC(Cc1ccc(Br)cc1)=NNC(=O)C(=O)O	1605058936	SYTLMKBAGSCDEQ-UHFFFAOYSA-N	313.151	1.958	50	20	DDGD	
O=C(O)c1ccc(O)c(C=NNC(=O)c2ccc(O)c(O)c2)c1	1602385660	UUXLFKSHMRXKEC-UHFFFAOYSA-N	316.269	1.266	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)ccc1O	1604515304	UPCVAUAQCMBZKJ-UHFFFAOYSA-N	324.344	1.892	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NC[C@H]1C[C@H]1C(=O)O	1601270477	KQNGNPYZZQITBF-CHWSQXEVSA-N	319.361	1.060	50	20	DDGD	
O=C(NCCOCCF)NNc1ccc(F)c(C(=O)O)c1	1601505537	MYYYTKPPBYVOKV-UHFFFAOYSA-N	303.265	1.136	50	20	DDGD	
Cc1oc(C=NNC(=O)CNc2ccccc2F)cc1C(=O)O	1600838497	SLYBTSXGCZDIMH-UHFFFAOYSA-N	319.292	1.988	50	20	DDGD	
O=C(O)[C@H]1C[C@@H](C(=O)NNc2ccc(-c3ccccc3)nn2)C1	1602213905	KAAPRQVYUUXPIP-TXEJJXNPSA-N	312.329	1.698	50	20	DDGD	
CO[C@@H]1COCC[C@@H]1CC(=O)NNc1cccc(C(=O)O)c1	1610241850	YXGXZKGBQLEAAH-ZWNOBZJWSA-N	308.334	1.270	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1cc(C(=O)O)ccc1F	1610699580	CDJHHNYIAVKJCJ-UHFFFAOYSA-N	317.276	1.606	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C(=O)NN=Cc1cnsc1	1549904618	KQOYBVANGYUHJZ-NWDGAFQWSA-N	319.390	1.495	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@@H]2C=NNC(=O)[C@@H]2CCO[C@H]2C)cn1	1552454976	TYMXETBJMIEFMY-CTHBEMJXSA-N	320.393	1.508	50	20	DDGD	
C=CCCC[C@@H](N)C(=O)NNC(=O)c1ccc(Cl)cc1O	1574908351	KRJNZZKRXUKFNL-LLVKDONJSA-N	311.769	1.490	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H](N)Cc2ccccc2)c1	1579832318	CEJAETSLQOMABU-LBPRGKRZSA-N	303.387	1.388	50	20	DDGD	
COCC1(C(=O)NNc2c(F)cc(F)cc2F)CCNCC1	1578977195	XXWSSCFTBGOFFG-UHFFFAOYSA-N	317.311	1.563	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2NCC23CCOCC3)c(Cl)c1	1579723805	MLWGXQXZIFNJIK-ZDUSSCGKSA-N	309.797	1.860	50	20	DDGD	
COc1cccc(C[C@H](N)C(=O)NNc2ccc(Cl)nc2)c1	1579274772	NYQMTDVZHGLRFZ-ZDUSSCGKSA-N	320.780	1.757	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@]12CCCNC2)c1cccc(Cl)c1	1580732617	FUXUMWUDAONZBX-WFASDCNBSA-N	307.781	1.491	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cccc3c2CNC3)cc1	1580064509	OBWAXYHMLPSLDS-UHFFFAOYSA-N	306.325	1.236	50	20	DDGD	
CN1C[C@@H]2CC[C@@H](NC(=O)NNc3cccc(C(=O)O)c3)[C@H]2C1	1598574721	ZEHUWVRFSPYWNH-FPMFFAJLSA-N	318.377	1.351	50	20	DDGD	
O=C(O)CCCC(=O)NNc1cc(Cl)nc2ncccc12	1595027795	NRRMGYTVKCGCAX-UHFFFAOYSA-N	308.725	1.981	50	20	DDGD	
CC[C@H](C)[C@H](NNC(=O)c1ccc(OC)cc1OC)C(=O)O	1594922418	ZFNAKLQZPADIFT-ZANVPECISA-N	310.350	1.438	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1ccc(C(=O)O)n1C	1592617657	ZYXQWHMWJBZTOY-LBPRGKRZSA-N	320.393	1.295	50	20	DDGD	
COCCCNC(=O)NN=C1CCCc2ncc(C(=O)O)cc21	1776039661	QJQTXLQPFAZFEQ-UHFFFAOYSA-N	320.349	1.156	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1cccc(F)c1C(=O)O	1776043198	VROJGOLQQDDSSC-UHFFFAOYSA-N	301.277	1.612	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NN=Cc1ccc(OCC(=O)O)cc1	1776102259	KYGLHKDZKWZWEC-OLZOCXBDSA-N	306.318	1.025	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C/c1cc(C(=O)OC)c(C)o1	17699497	OZMRRZQKIMROKD-WUFUFFIZSA-N	306.318	1.433	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccnc(-n2cccn2)c1	158429022	FYHPFUXSARBXJO-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
C[C@@H](C[S@](C)=O)NS(=O)(=O)c1ccc(CCCl)cc1	168099390	ABYPRKDOJIDRLJ-XTZNXHDOSA-N	323.867	1.513	50	20	DDGD	
Cc1oc2ncn(C)c(=O)c2c1C(=O)NNc1ccccc1F	153105105	VAKWGSLCSWOGCG-UHFFFAOYSA-N	316.292	1.731	50	20	DDGD	
CN(C)Cc1ccc(C(=O)NNc2ncccc2[N+](=O)[O-])cc1	153117851	VOHUNISCKZXPRN-UHFFFAOYSA-N	315.333	1.808	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc(F)c([N+](=O)[O-])cc1F	157514201	MHIALYWFVZNBPL-UHFFFAOYSA-N	324.243	1.286	50	20	DDGD	
COc1cccc([C@H](O)C(=O)NNc2nc(C)cc(C)n2)c1	156168069	MHVPPBZIUIGDEH-ZDUSSCGKSA-N	302.334	1.279	50	20	DDGD	
CCCC1(CNC(=O)NNc2ccc(-n3cccn3)nn2)CC1	154162664	GWACILAODZKWRT-UHFFFAOYSA-N	315.381	1.869	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1cnn(C)c1)Cc1cccs1	173641107	ABHVOERPKKQHQW-SNVBAGLBSA-N	321.406	1.304	50	20	DDGD	
COc1ccccc1NC(=O)NNC(=O)Cn1nc(C)cc1C	52804841	OVQMMZFIFRCAGG-UHFFFAOYSA-N	317.349	1.361	50	20	DDGD	
Cc1ccc(NNC(=O)NCCCN2CCC(C)CC2)nn1	106329382	XKEGPZNBPUELSR-UHFFFAOYSA-N	306.414	1.533	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cccc([N+](=O)[O-])c2)n1	174478294	GLPDGJPTGAJPDX-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1CCOC1	103523036	KLCQXSFUKIFVDG-QMMMGPOBSA-N	320.317	1.163	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H]2C[C@]23CCc2ccccc23)n1	175313492	YRFSDVBWBWFWIA-DYVFJYSZSA-N	310.357	1.832	50	20	DDGD	
Cc1ncncc1C(=O)NNC(=O)c1cccc2ncccc12	106812271	LCYJMAMCIAGRCC-UHFFFAOYSA-N	307.313	1.408	50	20	DDGD	
C=CCOCCCC(=O)NNc1nc2ccccc2c(=O)n1C	173421091	IBIHPCQBRSEZQR-UHFFFAOYSA-N	316.361	1.359	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NC[C@H]1C[C@@H]2CC[C@@H]1C2	177460713	SRZHBSDJKFMNJQ-MGPQQGTHSA-N	302.378	1.391	50	20	DDGD	
O=C(Cc1coc(-c2cccs2)n1)NNc1cnccn1	114879728	QMYBZRRWZBGKBS-UHFFFAOYSA-N	301.331	1.879	50	20	DDGD	
CCCNC(=O)CCNC(=O)NNc1ccc(C(C)(C)C)nn1	118474399	RMQNLDYISWBEPZ-UHFFFAOYSA-N	322.413	1.317	50	20	DDGD	
CC(C)(C)c1ncsc1C(=O)NNC(=O)c1ccncc1	176387199	BNBZGWWGJZITII-UHFFFAOYSA-N	304.375	1.910	50	20	DDGD	
CN(C)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)c2ccccc2)C1	176620763	JHBVZGKFYDPGIZ-ZIAGYGMSSA-N	304.394	1.503	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@@H](C)CCOC)c1ccccc1	111485140	BVBOCNOUEZYDTN-JSGCOSHPSA-N	307.394	1.936	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)Cc2cccnc2)cc1	171725378	AFTVDXVQWZFIPS-UHFFFAOYSA-N	300.318	1.486	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCCC(=O)N(C)C)cc1	118758194	KRVXAFXFQGQPJT-UHFFFAOYSA-N	305.378	1.269	50	20	DDGD	
Cc1ccc(OCCNC(=O)NNc2ccc(C)nn2)cc1	171551447	HLYVGUGNEWGIIR-UHFFFAOYSA-N	301.350	1.799	50	20	DDGD	
CC1(C)C[C@H](NC(=O)NNC(=O)CCc2ccccc2)CCO1	125774183	AFRCUYBMEUSYNW-CQSZACIVSA-N	319.405	1.907	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)N1C[C@@H]2CCC[C@H]2C1	121337965	WJJHUDJMLOPDIM-GJZGRUSLSA-N	317.389	1.676	50	20	DDGD	
CC(C)CN1CCC[C@@H]1C(=O)NNC(=O)c1ccc(Cl)nc1	1262602960	SPVQBPKEZCGXKF-GFCCVEGCSA-N	324.812	1.616	50	20	DDGD	
O=C(NNC(=O)[C@@H]1SCCc2sccc21)[C@@H]1CCCO1	79552246	SBYJUTPKCGXVMP-GXSJLCMTSA-N	312.416	1.405	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc(F)c(C#N)c2)[nH]n1	184876208	KHFVJYPVDZAYHB-UHFFFAOYSA-N	302.269	1.195	50	20	DDGD	
Cc1occc1C(=O)NCC(=O)NNc1cccnc1Cl	128414615	NVHGNJSPMXIIJE-UHFFFAOYSA-N	308.725	1.510	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(Cl)ccc1O	73067473	LZQMZBZAISKMAW-UISBYWKRSA-N	310.737	1.374	50	20	DDGD	
Nc1ccc([N+](=O)[O-])cc1C(=O)NNc1nnc(C2CC2)s1	189709074	JWMGMWVTPWWXRS-UHFFFAOYSA-N	320.334	1.663	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2CCCC2)cc1C	72576450	ZQTUGKVRTAJUIB-UHFFFAOYSA-N	303.362	1.580	50	20	DDGD	
C[C@@H](CCOc1ccccc1)C(=O)NNC(=O)c1cccn1C	72936324	OJRQMRZGPVNHGR-ZDUSSCGKSA-N	315.373	1.891	50	20	DDGD	
Cc1cccc(F)c1S(=O)(=O)NNC(=O)CC(C)(C)C	186984609	ITIAMKYWOWAMJH-UHFFFAOYSA-N	302.371	1.880	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@H]2CCCc3sccc32)cn1	136639409	UYCLXDXJPOFWFH-NSHDSACASA-N	319.390	1.503	50	20	DDGD	
O=C(CCc1ccccc1Cl)NNC(=O)C(=O)N1CCCC1	132287293	ILSXOFRSTKXPMU-UHFFFAOYSA-N	323.780	1.042	50	20	DDGD	
CCN1CCN(CCC(=O)NNc2ccc([N+](=O)[O-])cc2)CC1	133903958	MXLMYMFSEGHFEO-UHFFFAOYSA-N	321.381	1.066	50	20	DDGD	
O=C(CCC(=O)c1ccccc1)NNc1nc2ccccn2n1	191901582	IOJAHEXOEXNQEP-UHFFFAOYSA-N	309.329	1.836	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CCc2ccncn2)n1	191959529	BFJAGQQBXKFYKY-UHFFFAOYSA-N	315.381	1.189	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1c[nH]c(=O)c2ccccc12	191912801	ZKNCWDKRYNLCQP-UHFFFAOYSA-N	320.312	1.328	50	20	DDGD	
C[S@](=O)CCCNS(=O)(=O)c1ccc(CCCl)cc1	134731009	ZYFJDNBMJWAOAG-GOSISDBHSA-N	323.867	1.515	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1cccnc1Cl	85683044	ONMJRVZKYLBPRZ-UHFFFAOYSA-N	300.746	1.657	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2cc(F)ccc2F)o1	84461401	DENZRUZFXXILLJ-UHFFFAOYSA-N	316.285	1.490	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCOc2ccccc2)cn1	142651911	IEYLLRVIJIEPOQ-UHFFFAOYSA-N	315.329	1.320	50	20	DDGD	
O=C(NNC(=O)c1ccc(-n2cc[nH]c2=S)cc1)NC1CC1	143230276	NFNNUZUDZPLKPO-UHFFFAOYSA-N	317.374	1.641	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)NCC1CCC1	266981203	SKAAUOURPHZFCJ-UHFFFAOYSA-N	301.350	1.007	50	20	DDGD	
Cc1n[nH]c(SCC(=O)NNc2cccc([N+](=O)[O-])c2C)n1	269582122	BTKRVVZJPNVXOL-UHFFFAOYSA-N	322.350	1.565	50	20	DDGD	
O=C(CN1CCCCCCC1=O)NNc1ccc(Cl)nc1	266533493	NLOFDFLPYXIRFW-UHFFFAOYSA-N	310.785	1.971	50	20	DDGD	
CC[C@@H](OC)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	264175575	WZUWAAYSKXGHHU-SNVBAGLBSA-N	322.333	1.551	50	20	DDGD	
Cn1c(NNC(=O)[C@H]2CCCCS2)nc2ccccc2c1=O	272995358	YCCSWPHVNKQAHL-GFCCVEGCSA-N	318.402	1.662	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1	276113818	HAHAVSIEEGWLBJ-UHFFFAOYSA-N	320.393	1.615	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cc([N+](=O)[O-])c2nsnc2c1	272581627	RWTGFIUITABRFT-UHFFFAOYSA-N	323.334	1.407	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)[C@@H]1CCCCS1	272932004	HHCAFKUQMQNDEU-ZDUSSCGKSA-N	308.403	1.758	50	20	DDGD	
C#C[C@H](C)NC(=O)NNC(=O)c1ccc(OCC)c(OC)c1	274855185	WMQALNUYGXFBIQ-JTQLQIEISA-N	305.334	1.060	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CC=C(C#N)CC2)C1	270958096	QHCSLBXRBPIHBB-DZGCQCFKSA-N	303.406	1.953	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCC1(OC)CCC1	272539330	KXKBVZSJRGCGED-UHFFFAOYSA-N	307.350	1.208	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1cn(C)nn1	289542286	CQXALMZLLOILOJ-UHFFFAOYSA-N	318.406	1.317	50	20	DDGD	
CC(=O)NNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O	282343917	OTMVWRATTCWUKV-SNVBAGLBSA-N	313.766	1.310	50	20	DDGD	
COCc1ncsc1C(=O)NNC(=O)NC1CCCCC1	284302128	KZFKYYPYGMXKRS-UHFFFAOYSA-N	312.395	1.566	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)CCc1cccc(Cl)c1	286553367	UYNKGLXKTHGSNX-UHFFFAOYSA-N	319.814	1.378	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNC(=O)Nc1ccc(Cl)cc1	283753346	LFVKHFATNXBIHJ-ZETCQYMHSA-N	314.729	1.237	50	20	DDGD	
CC(C)(C(=O)NNc1cccc(F)c1)S(=O)(=O)C1CC1	285414545	WPYFETSHDAOUNY-UHFFFAOYSA-N	300.355	1.625	50	20	DDGD	
CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)NNc1ccncn1	295527959	RAQIGBQIWJHGGH-HNNXBMFYSA-N	323.397	1.861	50	20	DDGD	
COc1ccc([C@@H](C)NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	297112870	GOVBCCNERXXJFN-WDMOLILDSA-N	321.377	1.654	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ncsc1NC(=O)OCC	291728392	RPJFCSFHXZMRDN-UHFFFAOYSA-N	315.355	1.018	50	20	DDGD	
O=C(NNc1cccc(F)n1)Nc1cnn(-c2ccccc2)n1	806381839	QPOLAKLEVJOAKZ-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C2(C(C)=O)CC2)cc1	294652922	KJUWIOGNPSFPRV-UHFFFAOYSA-N	304.346	1.144	50	20	DDGD	
CN(C)c1ccc(C2(C(=O)NNC(=O)c3ccc[nH]3)CC2)cc1	292784726	MTZLDQDUHJFWEH-UHFFFAOYSA-N	312.373	1.574	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CCNC(=O)Cc1ccccc1	294459916	UFKJHMAUIKXUGP-UHFFFAOYSA-N	321.377	1.291	50	20	DDGD	
O=C(NNc1ncccc1F)C(=O)Nc1cccc(Cl)n1	807302432	UJPJCQZOVFTMOP-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
CC(=O)NNC(=O)CCOc1ccc(C)cc1Br	299298370	AMBROXKLPJYJIH-UHFFFAOYSA-N	315.167	1.694	50	20	DDGD	
COc1cc(NC(=O)NNc2ccc([N+](=O)[O-])cc2C)ncn1	806364081	NODYAUJHSQHMNK-UHFFFAOYSA-N	318.293	1.850	50	20	DDGD	
NC(=O)c1ccccc1NCC(=O)NNc1cccnc1Cl	809712740	CSPFDTZJWAGERA-UHFFFAOYSA-N	319.752	1.389	50	20	DDGD	
COCCCOc1ccc(C(=O)NNc2ncncc2F)cn1	293829874	AQDSMLCSWYKCOQ-UHFFFAOYSA-N	321.312	1.183	50	20	DDGD	
Cc1nnc(SCCC(=O)NN(C)C(=O)OC(C)(C)C)[nH]1	297776036	URCDWFSRPFVQTF-UHFFFAOYSA-N	315.399	1.493	50	20	DDGD	
O=C(NNc1ccncn1)[C@@H]1CCCN(c2ccccc2)C1=O	295523990	QOOLJEOLQLJPQU-ZDUSSCGKSA-N	311.345	1.363	50	20	DDGD	
COCCOc1cncc(C(=O)NNc2ccc(Cl)nc2)c1	801627532	QLQXWDFLHBYQPZ-UHFFFAOYSA-N	322.752	1.912	50	20	DDGD	
C=CCOc1ccc(CC(=O)NNC(=O)NCCCOC)cc1	294664640	IOCVIMWXBZVLCD-UHFFFAOYSA-N	321.377	1.161	50	20	DDGD	
Cc1oc(S(N)(=O)=O)cc1C(=O)N(C)CC(Cl)Cl	808248963	UXWFPFPGIRGYFB-UHFFFAOYSA-N	315.178	1.111	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCc2cccnc21)[C@@H]1CCCCO1	295292127	DLCDLHYPTOTVFF-OLZOCXBDSA-N	303.362	1.218	50	20	DDGD	
CCn1ccnc1C(=O)NNC(=O)COc1ccc(C)cc1	291523301	ZTAVNTHXDAXLLD-UHFFFAOYSA-N	302.334	1.051	50	20	DDGD	
Cc1cc(C)c(CC(=O)NNC(=O)[C@H]2CCCCO2)c(C)c1	295573668	NSPOMOAWYIBDPE-OAHLLOKOSA-N	304.390	1.871	50	20	DDGD	
CC[C@@H]1CCC[C@H]1C(=O)NNC(=O)c1cccc(OC)c1O	294866356	OVMMUSBNKFQGGB-GHMZBOCLSA-N	306.362	1.988	50	20	DDGD	
N#CCOc1cc(F)ccc1NC(=O)NNc1ncncc1F	814667766	WNOBJHZRHPFXRZ-UHFFFAOYSA-N	320.259	1.806	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNc1ccc2c(=O)[nH]ccc2c1	812563502	HEJUXEFNIOVCOE-QWRGUYRKSA-N	303.362	1.890	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NNc2ncncc2F)cc1	814515798	AZINKSQQDXCCJZ-UHFFFAOYSA-N	304.285	1.124	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NN=Cc2cnn(C)n2)c1C	814748304	JVFCZJYBCYCPNL-LBPRGKRZSA-N	301.350	1.350	50	20	DDGD	
O=C(C[C@H]1CCc2ccccc2C1)NNC(=O)c1ccnnc1	817694322	YIGLFLGXLHTORG-LBPRGKRZSA-N	310.357	1.433	50	20	DDGD	
O=C(O)CCCNC(=O)NNC(=O)c1cccc2ccccc12	819443050	IMCWQGAYSAIOGB-UHFFFAOYSA-N	315.329	1.649	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1ncccc1Cl	815546219	COUYIQAPBVTYSP-UHFFFAOYSA-N	316.708	1.937	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)COc1cc(C)cc(C)c1	812533249	DMCLCIWVEUASPD-KBPBESRZSA-N	322.405	1.748	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1ncoc1C1CC1	815114167	FOMDGYARGOBYKQ-UHFFFAOYSA-N	320.374	1.800	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1ccnc(-c2ncc[nH]2)c1	816340422	GDYFGKDRJHZGMC-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
N#Cc1ccc(CNC(=O)NNc2ncncc2F)cc1Cl	814330335	FBQYAZGGGDPKDK-UHFFFAOYSA-N	320.715	1.967	50	20	DDGD	
CNc1ccccc1C(=O)NNC(=O)COc1cccc(C)c1	816805595	BUYZUBGWENYPON-UHFFFAOYSA-N	313.357	1.877	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NOCCOC(C)C)c1ccccc1	812948924	JEERIQLMQABLDW-AWEZNQCLSA-N	323.393	1.867	50	20	DDGD	
Cc1cc(C#N)cnc1C(=O)NNC(=O)c1ccc(Cl)cc1	814699103	HKEZPZJBZSJJNO-UHFFFAOYSA-N	314.732	1.990	50	20	DDGD	
CCn1nncc1C(=O)NNC(=O)c1ccc(Cl)cc1F	815747520	YFUSZDGRXDURMM-UHFFFAOYSA-N	311.704	1.165	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@]2(C)CC2(F)F)cc1	817513932	RQQBKPFSSGHSHM-ZDUSSCGKSA-N	311.288	1.126	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=C1CCO[C@H](C(F)(F)F)C1	815002588	IAGFPVDHNUTIFS-JTQLQIEISA-N	302.256	1.722	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cn1	491054107	ZSPYYBZWAPTRJX-XSKCSMHKSA-N	312.373	1.401	50	20	DDGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2cnccn2)cc1	491173547	DASRFXVEIAJYJD-XYOKQWHBSA-N	307.313	1.981	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1	490979740	YZAQRTFFWUDOLM-HJWRWDBZSA-N	315.289	1.531	50	20	DDGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2cnccn2)cc1	491173545	DASRFXVEIAJYJD-WQLSENKSSA-N	307.313	1.981	50	20	DDGD	
COCC[C@@H](C)CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	491129047	FYNSGEGSQXBXSD-IWTIEGKHSA-N	314.389	1.901	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNc1cccc(F)c1C(=O)OC	822730566	AEIAVMJZFPUZOQ-NXEZZACHSA-N	312.341	1.974	50	20	DDGD	
Cc1c(Br)cccc1C(=O)NN(C)[C@H](C)CO	823951648	MBULTXSSYZGYAE-MRVPVSSYSA-N	301.184	1.715	50	20	DDGD	
O=C(Cc1ccccc1O[C@@H]1CCOC1)NNc1ccccn1	827884090	YIAUDLVTMBNTOV-CQSZACIVSA-N	313.357	1.935	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)NNC(=O)C2CC2)C1	495525270	DLIPQIUERNQUDP-MEDUHNTESA-N	323.393	1.191	50	20	DDGD	
CCCC[C@@H](C)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	495646990	LEBHIVCIIFDFTC-LLVKDONJSA-N	315.414	1.875	50	20	DDGD	
C[C@H](CNC(=O)c1ccc(B(O)O)cc1)Cc1cccs1	584950328	JBKPYVDIELQTPH-NSHDSACASA-N	303.192	1.037	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)c1	825551762	OEQGDTJZATUKNI-VHDGCEQUSA-N	317.389	1.893	50	20	DDGD	
O=C(CCN1CCOC1=O)NNc1cccc(C(F)(F)F)c1	493981840	NYIUPUVRECCQKB-UHFFFAOYSA-N	317.267	1.991	50	20	DDGD	
COc1ccc(C(=O)NN(C)[C@H](C)CO)c(Br)c1	823966190	ZXIOCTDWSJHBOF-MRVPVSSYSA-N	317.183	1.415	50	20	DDGD	
C[C@@H]1CN(C2CC2)CC1=NNC(=O)CCNC(=O)OC(C)(C)C	495274650	ACOAVUGGUAYPTO-LLVKDONJSA-N	324.425	1.488	50	20	DDGD	
C[C@@H]1COCCN1CCNC(=O)/C(C#N)=C/c1ccc(F)cc1	490838885	BRIMNEDLSBSRSB-QQFZQELXSA-N	317.364	1.570	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)[C@@H]1CC=CCC1	495208468	RCIHPYPIYGLLQW-LLVKDONJSA-N	311.382	1.405	50	20	DDGD	
COc1ccc(-c2ocnc2C(=O)NN(C)[C@H](C)CO)cc1	823922200	JAJLQUIVGIIIPR-SNVBAGLBSA-N	305.334	1.308	50	20	DDGD	
COC(=O)N(C)NC(=O)CCc1c(C)nn(CCC#N)c1C	497250327	CGKFCXZFORDTOX-UHFFFAOYSA-N	307.354	1.076	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)/C=C\[C@@H]2CCOC2)c1F	493685346	KKOMCXULBISLLB-WWQCOOJYSA-N	308.309	1.648	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCc2ccsc2C1	827281630	ISGNAJSTGCQORD-KOLCDFICSA-N	309.391	1.272	50	20	DDGD	
C[C@H](O)C[C@@H]1CCCCCN1C(=O)/C(C#N)=C\c1cnn(C)c1	491158346	DYEHQFFHWKBYJF-JEJBDVSJSA-N	316.405	1.869	50	20	DDGD	
C[C@H](NCc1cccc(B(O)O)c1)c1cccc(OC(F)F)c1	585016275	UYEFQFXSZYIJBD-NSHDSACASA-N	321.132	1.819	50	20	DDGD	
CC[C@H](C)Oc1cc(C(=O)Nc2cccc(B(O)O)c2)ccn1	584914150	QMYUSWZGRKZCQV-NSHDSACASA-N	314.150	1.191	50	20	DDGD	
C[C@@H]1CCC[C@@]1(C)C(=O)NNC(=O)COc1ccc(C#N)cc1	822195878	LBSGCVTUMOJUNC-SJKOYZFVSA-N	315.373	1.911	50	20	DDGD	
O=C(CN1CCC[C@@H]1Cc1ccc(F)cc1)NNC(=O)C1CC1	733194312	INFZCPMRTORCJA-OAHLLOKOSA-N	319.380	1.390	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)Nc1ccc(F)cc1	730819585	ZSFBGJYDGNGMBL-UHFFFAOYSA-N	319.292	1.763	50	20	DDGD	
OB(O)c1ccccc1CNCCCCOC1CCCCCC1	585020347	TYPVIHVUHDGITE-UHFFFAOYSA-N	319.254	1.976	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNc1ccc(-n2ccnc2)nn1	908180977	NBVYSVYMZYNTAQ-FZMZJTMJSA-N	314.349	1.087	50	20	DDGD	
CCc1nnc(CNC(=O)[C@@]2(C)C[C@@H]2Br)s1	908300515	MQXGVLCFSDJVPZ-WKEGUHRASA-N	304.213	1.890	50	20	DDGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCO[C@H](CC(=O)O)C1	833061519	CPLNSOFOELQPKI-AKFCNNOESA-N	317.301	1.635	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(F)cc1)c1nnc2n1CCC2	730935816	YIGWZYLFGMTIDW-VIFPVBQESA-N	304.329	1.751	50	20	DDGD	
CN(C(=O)c1ccc(B(O)O)cc1)[C@H]1CCC[C@H]1C(C)(C)C	584998860	BJUQUOGMZXXHGS-CABCVRRESA-N	303.211	1.653	50	20	DDGD	
CCOC(=O)N1CCC[C@H]([C@H](C)NS(=O)(=O)CCl)C1	831154214	XYCKHFJZWYBWJU-UWVGGRQHSA-N	312.819	1.359	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1nsc2ccccc12	908517597	NHCVRTGBASONCF-SNVBAGLBSA-N	305.359	1.626	50	20	DDGD	
CCOCC(=O)NN=Cc1ccc(OC)cc1OC(F)F	734096371	LWPQEFABUMGMCA-UHFFFAOYSA-N	302.277	1.783	50	20	DDGD	
OB(O)[C@H]1CCN(Cc2ccccc2OCc2cccnc2)C1	585077749	XXIIUZLQEABYQN-INIZCTEOSA-N	312.178	1.709	50	20	DDGD	
C[C@H](CNC(=O)[C@@]1(C)C[C@H]1Br)Cn1ccnc1	906765392	GSXUPDGTYYKOHG-FOGDFJRCSA-N	300.200	1.809	50	20	DDGD	
C[C@@H](Oc1ccc(C=NNC(=O)[C@@H]2CCCCO2)cc1)C(=O)O	834984970	FLCRCCIPLHUKMP-RISCZKNCSA-N	320.345	1.558	50	20	DDGD	
CCc1c(C(=O)Nc2cccc(B(O)O)c2)cnn1CC(C)C	584913465	XMOIJWGMZDSPIX-UHFFFAOYSA-N	315.182	1.034	50	20	DDGD	
O=S(=O)(CCl)N1CCOC[C@@H]1C[C@H](O)c1ccccc1	830872479	IVLFNIXFZJAGBF-STQMWFEESA-N	319.810	1.337	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(=O)n(-c3ccccc3)n2)ncn1	734254429	LHJPLRIDXPEVEI-UHFFFAOYSA-N	322.328	1.088	50	20	DDGD	
OB(O)c1ccccc1CNC[C@H]1CCCN1C1CCCCC1	585038694	DIAVDOZLQWXLIP-QGZVFWFLSA-N	316.254	1.253	50	20	DDGD	
C=CCCOC(=O)/C(C#N)=C\c1cc(-c2nn[nH]n2)n(C)c1C	735413526	WFUPPYHGRUFBFM-GHXNOFRVSA-N	312.333	1.540	50	20	DDGD	
CC1(C)C[C@H]1CNC(=O)NNC(=O)COc1ccccc1F	732820170	IIQABUWSMDUSJM-JTQLQIEISA-N	309.341	1.581	50	20	DDGD	
O=C(CNc1ccc(-c2nn[nH]n2)cc1)NNc1ccccc1	737893688	DVKLKIRFYRHPNP-UHFFFAOYSA-N	309.333	1.422	50	20	DDGD	
O=C(COC1CCOCC1)NNC(=O)c1cccc(Cl)c1	735245109	NNVGPFZIAVESNY-UHFFFAOYSA-N	312.753	1.297	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NCCCCCC(=O)O	832980993	UCCPFGKRPCKUGM-UHFFFAOYSA-N	321.377	1.513	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccc3c(c2)OCCO3)n1	916343086	JCXIIKZILCUQNO-UHFFFAOYSA-N	314.345	1.421	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)COCC2CCCC2)cc1	839482768	LHJIQFXKSVJXLW-UHFFFAOYSA-N	319.405	1.761	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2ccc(Br)cc2)c[nH]1	918320055	MDYKFHMQSNZFOI-UHFFFAOYSA-N	323.150	1.633	50	20	DDGD	
CC1(C)CN(C(=O)[C@]2(C)C[C@@H]2Br)C[C@@H](CO)O1	911175920	HSKHRJHJZFCPOP-HOTUBEGUSA-N	306.200	1.158	50	20	DDGD	
Cc1cc(N(C)C)ccc1C=NNC(=O)C(=O)N1CCCC1	841622173	NFFUUBZGSUFPQS-UHFFFAOYSA-N	302.378	1.134	50	20	DDGD	
CN(C)c1nccc(NNC(=O)CCc2cccc(F)c2F)n1	740112555	NIJZTVKZPCBWOA-UHFFFAOYSA-N	321.331	1.897	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccn(-c2ccccc2)n1	843641487	CJPUMGQKYFNEPF-WCQYABFASA-N	314.345	1.058	50	20	DDGD	
COc1ccnc(NNC(=O)c2sc(NC3CC3)nc2C)n1	748024037	KRLIBZHZVSFGST-UHFFFAOYSA-N	320.378	1.581	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccccn2)cc1[N+](=O)[O-]	746581040	OUDBSUAIIMYXPI-UHFFFAOYSA-N	314.301	1.627	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1csc(-c2ccc(F)cc2)n1	910180463	VPSOAEXNGJEGHJ-SECBINFHSA-N	309.366	1.907	50	20	DDGD	
C[C@]1(C(=O)N2CC(O)(c3ccccc3)C2)C[C@H]1Br	913539630	CVKMRRXYLWJABO-YPMHNXCESA-N	310.191	1.890	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cc1c[nH]c2cc(F)ccc12	843649407	UUFYYXLYSKVARN-JOYOIKCWSA-N	319.336	1.422	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H]2CCCS(=O)(=O)C2)c1	845858160	HAZTUGNRHJJKTQ-VIFPVBQESA-N	316.354	1.102	50	20	DDGD	
Cc1ccncc1C(=O)NNC(=O)c1ccc(Cl)cc1O	743314815	WTYVISLBHVCNPE-UHFFFAOYSA-N	305.721	1.824	50	20	DDGD	
COc1c(O)ccc(C=NNC(=O)[C@H]2CCO[C@@H]2C)c1[N+](=O)[O-]	842548832	CSDVVJUNYKHGPD-SCZZXKLOSA-N	323.305	1.184	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c2c(C)noc2n1	843645075	QIPOPDVQQVVQGQ-VHSXEESVSA-N	318.333	1.026	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@H]1CCCCO1)c1ccccc1	840777406	ZTRWKGRJQNNYCM-DGCLKSJQSA-N	307.419	1.812	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCO[C@H]2C)cc(OC)c1OC	842551725	DUVYITMRHVASQD-CMPLNLGQSA-N	322.361	1.588	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCc1ccc(OC)c(OC)c1	840924150	AVPIFYADGZXKGV-UHFFFAOYSA-N	311.338	1.159	50	20	DDGD	
O=C(NNS(=O)(=O)c1cc(F)c(F)c(F)c1)C1CCC1	741657597	TUNYSTVONAPEMA-UHFFFAOYSA-N	308.281	1.214	50	20	DDGD	
COc1ccccc1[C@H](C)CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843647234	LQZBJSWVKVDTMP-BZPMIXESSA-N	320.389	1.761	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	742576661	GDCOSOYIWVWTLA-UHFFFAOYSA-N	306.200	1.187	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)C2CCN(c3ncccn3)CC2)o1	743439708	INGIXUFAWDIVJL-UHFFFAOYSA-N	324.344	1.308	50	20	DDGD	
CC#CC[C@@H](CO)NC(=O)/C(C#N)=C/c1ccc(OCC)cc1	844119293	XDYPJRPFPAUHGQ-SFKKXYGYSA-N	312.369	1.883	50	20	DDGD	
Cc1noc(C)c1C(C)(C)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843657910	TZXYBXFUSRANMO-GXSJLCMTSA-N	309.366	1.141	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)C1SCCS1	848321242	MXXZGOJWGONLCO-UHFFFAOYSA-N	321.225	1.488	50	20	DDGD	
CC(=NNC(=O)C(=O)NN=C(C)c1ccoc1)c1ccoc1	755872671	RFJQCIRXFIJJRX-UHFFFAOYSA-N	302.290	1.253	50	20	DDGD	
CC(=NNC(=O)c1sc(N)nc1C)c1ccccc1C(=O)O	757460239	TYPHDBGCVPILBW-UHFFFAOYSA-N	318.358	1.886	50	20	DDGD	
N#Cc1ccc(Br)c(NNC(=O)C(=O)NC2CC2)c1	855616717	MLSYIMVKWYAWND-UHFFFAOYSA-N	323.150	1.042	50	20	DDGD	
Cc1nc(CC(=O)NNC(=S)Nc2cccc(C)c2C)n[nH]1	854186606	PQBFTKKKDRBZIN-UHFFFAOYSA-N	318.406	1.290	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)CCOc1ccccc1)C1CC1	858918537	KRYXPIBDWCIJAH-HNNXBMFYSA-N	306.362	1.418	50	20	DDGD	
CC[C@H]1COCC1=NNC(=O)c1nn(C)c(=O)c2ccccc12	853272989	XCQJQYXVAHXCEF-JTQLQIEISA-N	314.345	1.076	50	20	DDGD	
CNC(=S)N(C)NC(=O)CSc1nccn1C(C)(C)C	854925106	BHLMVVSTWWMMPE-UHFFFAOYSA-N	315.468	1.198	50	20	DDGD	
C[C@@H]1OCC(=NNC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)[C@H]1C	853377688	CDDGOEJKSCTXPG-UUIJZJDISA-N	320.393	1.415	50	20	DDGD	
CCCN1CC[C@H](NC(=O)NNC(=O)c2cccc(Cl)c2)C1	852630850	DCNCJQLVTTVDTG-ZDUSSCGKSA-N	324.812	1.768	50	20	DDGD	
CN(C)c1ccccc1NC(=O)NNC(=O)CC(F)(F)F	755637225	PBOGYJXKEPSUEP-UHFFFAOYSA-N	304.272	1.858	50	20	DDGD	
CC(C)C[C@H](CCO)CNC(=O)NNC(=O)CC(F)(F)F	754374733	IVAUPGBWBFVGDB-VIFPVBQESA-N	313.320	1.314	50	20	DDGD	
O=C(NNC(=O)c1ncoc1C(F)(F)F)NC1CCCCC1	854191834	BQQUGWYHSICZKC-UHFFFAOYSA-N	320.271	1.970	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)OCCc2ccnn2C)cc(C#N)n1C	759902186	CYWAWJAHVAPJAM-ZSOIEALJSA-N	323.356	1.632	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)c2cnnc(O)c2)cc1	854207114	LHAPXOGCZRTWGM-UHFFFAOYSA-N	314.345	1.555	50	20	DDGD	
CC(C)NC(=O)/C(C#N)=C/c1cccc(NS(C)(=O)=O)c1	853003164	FDVHPPJANVQXSX-KPKJPENVSA-N	307.375	1.490	50	20	DDGD	
CC(C)NC(=O)/C(C#N)=C\c1cccc(NS(C)(=O)=O)c1	853003163	FDVHPPJANVQXSX-GHXNOFRVSA-N	307.375	1.490	50	20	DDGD	
Cn1ncc2c1C[C@@H](C(=O)NNc1ccc(Cl)cn1)CC2	856091322	KNQQAPCXBVHRIP-VIFPVBQESA-N	305.769	1.717	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(C)CC2=CCCOC2)c1	852518635	LNVTXBMHXHPXCV-UHFFFAOYSA-N	317.389	1.035	50	20	DDGD	
CNS(=O)(=O)C[C@@H]1CCCN1/C(=C\C#N)c1ccccc1	750800655	GXQLWRHWQBLQOC-BUYRESAOSA-N	305.403	1.565	50	20	DDGD	
O=C(NNC(=O)C1CC2(CC2)C1)c1nnc(O)c2ccccc12	854203500	PLPSCHXPUMKTKF-UHFFFAOYSA-N	312.329	1.287	50	20	DDGD	
CCC[C@H](CNC(=O)NNc1ccc(Cl)nn1)OCC	858684196	QVYGSBXJLFRKTP-SECBINFHSA-N	301.778	1.961	50	20	DDGD	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NNC(=O)c1cc[nH]n1	855359612	YIKXRNAOMVNOMZ-DYEKYZERSA-N	322.409	1.648	50	20	DDGD	
CO[C@H](CNC(=O)NNc1ncncc1Cl)C1CCCC1	852654226	CUGCLTKYHCQGLR-LLVKDONJSA-N	313.789	1.961	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)[C@@H]1CCc2nnc(C)n2C1	750789194	RJIFZHIRSWLGIQ-LLVKDONJSA-N	303.341	1.740	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NC[C@]1(C)C[C@H]1Br	857397744	IUQBEIAURMBACU-FOGDFJRCSA-N	308.216	1.718	50	20	DDGD	
CN(C)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	852224483	GCVYXIXFHONDMB-GHMZBOCLSA-N	323.372	1.038	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccccc1O	868736741	RCTMPHBZOHMPEN-FOGDFJRCSA-N	307.350	1.209	50	20	DDGD	
CC1(C)C(=NNC(=O)[C@H]2CCC(=O)N2)C[C@@H]1Oc1ccccc1	863153406	TZGQWIFDHWXKEF-OCCSQVGLSA-N	315.373	1.615	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCc2cccc(F)c21	768550844	BSPZAXIZHREUSU-LLVKDONJSA-N	307.369	1.770	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)CCc1ccccc1)c1ccccc1F	764589657	VUPCUCSVWABUJR-HNNXBMFYSA-N	316.332	1.580	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C1CC(OC)C1	863852020	XCEDYZSVIZOXBS-UHFFFAOYSA-N	306.362	1.200	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2CCC(F)(F)C2)n1	763709913	YEZJLLPRKINIQK-MRVPVSSYSA-N	301.297	1.608	50	20	DDGD	
CCc1cccc2c1N(C(=O)C(=O)NNC(=O)[C@H](C)CC)CC2	764086685	VGJITGRMBYNBNH-LLVKDONJSA-N	317.389	1.332	50	20	DDGD	
O=C(NN=C1CCN2CCC[C@H]12)[C@@H]1COc2ccccc2O1	765555932	UBFQEONLWVPZBC-DOMZBBRYSA-N	301.346	1.167	50	20	DDGD	
O=C(NNc1ccc(F)c(Cl)c1)[C@H]1CCc2nnnn2CC1	863082276	HULSUFGROKTVAR-QMMMGPOBSA-N	324.747	1.561	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](C)Sc1ccccn1	764460291	MQQQQNLHBYMWPQ-SECBINFHSA-N	305.363	1.504	50	20	DDGD	
O=C(NN=C1CC(C(F)F)C1)c1ccc(-n2cnnn2)cc1	766015404	LJOTZSPMDMAQOB-UHFFFAOYSA-N	306.276	1.423	50	20	DDGD	
CNCCOCCNC(=O)NNc1cccc(Cl)c1Cl	861675944	MAJFKCOJNSOORB-UHFFFAOYSA-N	321.208	1.856	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1CCOC2(CCCCC2)C1	769173449	DNXOFYQKTISCMH-GFCCVEGCSA-N	313.398	1.235	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)CCc2cnn[nH]2)cc1	864485559	VJFNKGWBIIGDOZ-UHFFFAOYSA-N	315.377	1.496	50	20	DDGD	
O=C(NC[C@H]1C[C@@H](O)C1)[C@@]12CC[C@@H](C[C@@H]1Br)C2	863184366	KZPLUOKPTRYFIF-XPORZQOISA-N	302.212	1.827	50	20	DDGD	
O=C(CCc1cnn[nH]1)NNc1cc(C(F)(F)F)ccn1	868606880	GLFUAMLQXCUEFQ-UHFFFAOYSA-N	300.244	1.294	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1ccc(C(C)(C)O)cc1	767378019	DDTFYBACQJFIIS-UHFFFAOYSA-N	300.362	1.802	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C(C)C)c2cccnc12	763816085	DNARLFLHMUGLSA-UHFFFAOYSA-N	314.345	1.285	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(S(C)(=O)=O)ccc1C	878085195	OUDBNDIKVCHUGV-UHFFFAOYSA-N	315.395	1.013	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNC(=O)C2CCC2)cc1C	764339647	WCOWJNKYRZUUJJ-UHFFFAOYSA-N	303.362	1.443	50	20	DDGD	
C[C@]1(C(=O)NC[C@@H]2CCCN(C(N)=O)C2)C[C@H]1Br	1119569158	BFQVXEXMTXPJQI-SBMIAAHKSA-N	318.215	1.067	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2c3c[nH]nc3CC[C@@H]2C)nc(C)n1	878897420	KZJBBOMGFMFPIY-RMLUDKJBSA-N	300.366	1.626	50	20	DDGD	
CC(C)[C@H]1CC(=NNC(=O)[C@@H](C)CN2CCOCC2)CCO1	776764079	XIGYTWWCUILOTK-DZGCQCFKSA-N	311.426	1.262	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccc3nc(C)[nH]c23)cc1	1116943479	MDXKLBFHBXVCBI-UHFFFAOYSA-N	324.340	1.955	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNc1ccc(Br)nc1	878828261	MJDTUVWMZAJMMY-SECBINFHSA-N	315.171	1.202	50	20	DDGD	
Cc1cc(C(=O)NNc2cccc(S(C)(=O)=O)c2)ccc1O	779545316	RSLGNLBKYCVQEN-UHFFFAOYSA-N	320.370	1.861	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)OCc1ccccc1	772003407	WRQYVZFAQHTCPH-NWDGAFQWSA-N	322.361	1.081	50	20	DDGD	
O=C(NN=Cc1cn(C[C@@H]2CCCO2)nn1)NC1CCCCC1	872329017	FSQHIVVGMQMYNP-AWEZNQCLSA-N	320.397	1.423	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1nonc1C	873854506	PAVNQVCZQOHVBV-UHFFFAOYSA-N	319.390	1.880	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)NC[C@H]1COCCN1	877040576	QMEWXARPUFITFU-NWDGAFQWSA-N	304.481	1.805	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1NC(=O)NNc1ncc(F)cn1	775409128	JACURLVRRVQBDS-UHFFFAOYSA-N	306.257	1.981	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(-c2ncn(C)n2)cc1	887147018	UPQWPEWOOZETMP-UHFFFAOYSA-N	311.345	1.047	50	20	DDGD	
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NNC(=O)C2CCOCC2)o1	883060477	NFQPTFPCIPEJDH-RISCZKNCSA-N	320.389	1.910	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NCCCF	770543088	FYNROJMBBUTING-SECBINFHSA-N	317.748	1.797	50	20	DDGD	
CN(NC(=O)NC[C@H]1COC2(CCOCC2)O1)c1ccccc1	776946264	PFDIESQQBSEVBQ-AWEZNQCLSA-N	321.377	1.259	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)c1ccccc1F	772111090	RCFYAHAAAKADES-ZJUUUORDSA-N	310.325	1.418	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNc2ncc(F)cn2)cc1	775498795	DIIVZDGTPBPDOV-UHFFFAOYSA-N	305.269	1.551	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@@H](c1ccccc1C)C1CC1	776022974	DCOBMWLEMVZDHM-MLGOLLRUSA-N	303.406	1.982	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(F)c1	1121019254	SKOHGLDQUOOZLN-UHFFFAOYSA-N	305.309	1.024	50	20	DDGD	
COc1ccc(C=NNC(=O)COc2ccccc2F)cn1	780196225	NGLJWLRBZGUAKC-UHFFFAOYSA-N	303.293	1.758	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@H](F)C(C)C	784017689	REDIFJUFVSBXOX-CQSZACIVSA-N	312.341	1.606	50	20	DDGD	
C[C@H]1[C@@H](C)N(S(=O)(=O)CCCCCl)CC[S@@]1=O	780786805	RUIBSAKFSAQRCV-LSYCYVAJSA-N	301.861	1.177	50	20	DDGD	
Cc1ccc(C(=O)NN=C2CCC[C@H](S(C)(=O)=O)C2)c(O)c1	788425994	MLBZIHHKZLJLNN-LBPRGKRZSA-N	324.402	1.774	50	20	DDGD	
C[C@@H](Oc1cccc(OS(=O)(=O)CCCCl)c1)C(N)=O	882022332	FPRJQWRWOKOQLA-SECBINFHSA-N	321.782	1.277	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)C(=O)Nc1ccc(F)nc1	784873870	AEPAGCGWAFMGSD-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
CC(=O)OCCCS[C@@H](C)C(=O)NNC(=O)CC(C)C	788512465	DVGBXYXHICPEDP-JTQLQIEISA-N	304.412	1.255	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)C1(C)COC(C)(C)OC1	780732730	WJVUHLQVIASPTI-UHFFFAOYSA-N	322.361	1.706	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@]1(O)CCc2ccccc2C1	785956839	XPJBEBBEBGKIPM-MRXNPFEDSA-N	305.378	1.037	50	20	DDGD	
CN1CCC[C@H]1c1cc(C(=O)NNc2ccc(Cl)nc2)n[nH]1	896766700	WLCSEWBMQQNDJP-LBPRGKRZSA-N	320.784	1.982	50	20	DDGD	
C=CCCN(C)C(=O)NNC(=O)c1c(C)nc2ccccn12	786103725	TXDGGIGOCCQIHI-UHFFFAOYSA-N	301.350	1.505	50	20	DDGD	
C[C@H](Oc1ccc(C=O)cc1)C(=O)NNC(=O)c1ccccn1	794720762	HWVOAWNFROSORE-NSHDSACASA-N	313.313	1.123	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)C(=O)Nc1cc(C)nn1C	799844276	NXNVOVXVLRAERQ-UHFFFAOYSA-N	315.377	1.681	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CC[C@](C)(C(N)=O)C1	794359098	PLDKEEAUEVKRCY-PELKAZGASA-N	305.216	1.520	50	20	DDGD	
C=C[C@H](NNC(=O)[C@@H](C)Oc1ccc(OCC)cc1)C(=O)OC	799976740	VKWBMJWEMDLRGJ-RISCZKNCSA-N	322.361	1.201	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1F)c1cc(C)n(C)n1	799867676	FIMAJVGEZOBAPF-UHFFFAOYSA-N	304.325	1.787	50	20	DDGD	
CC(=NNC(=O)COCc1ccccc1)c1cc(C)n(C)n1	799882393	PKMXKICWTWFVIA-UHFFFAOYSA-N	300.362	1.786	50	20	DDGD	
COC(=O)c1csc(C(C)=NNC(=O)c2c[nH]nc2C)c1	794908108	IHAFQUUSANSGFO-UHFFFAOYSA-N	306.347	1.720	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCc2nc(C)cs2)n1	792780757	RGHXNDYSMBHSTR-UHFFFAOYSA-N	305.363	1.299	50	20	DDGD	
COCc1cc(C=NNC(=O)[C@H](C)CN2CCC(C)CC2)no1	794880148	PYWZRCGXTVMXAH-CYBMUJFWSA-N	322.409	1.639	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)COc1ccccc1O	796255067	PGXQBSCEMCELQP-UHFFFAOYSA-N	303.318	1.123	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)Cn2ccc3ccccc32)O1	799932443	PHTZFLDGSYHZQF-XHBSWPGZSA-N	315.373	1.602	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNc1nc2ccccc2c(=O)n1C	796442150	RSHILTPOQWBHSV-UHFFFAOYSA-N	311.345	1.581	50	20	DDGD	
CSSCCNC(=O)Cn1ncc2ccccc2c1=O	791099611	HLOKLCJZEGVRHL-UHFFFAOYSA-N	309.416	1.524	50	20	DDGD	
COc1ccccc1SCC(=O)NN=Cc1cn(C)cn1	794523061	CIJXPTCZIDUOIK-UHFFFAOYSA-N	304.375	1.671	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)NC(C)C)c2c(C)n[nH]c2n1	1318186124	MHCSDGXVKSBRMQ-UHFFFAOYSA-N	306.395	1.092	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CCN(C(C)(C)C)CC1	1318507201	MCEBMKBITUPOMK-UHFFFAOYSA-N	318.421	1.766	50	20	DDGD	
CC(=NNC(=O)C[n+]1ccccc1)c1ccc(-n2cccn2)cc1	1317751490	YLWFHBFOWCTFPL-UHFFFAOYSA-O	320.376	1.700	50	20	DDGD	
COC(=O)C(=O)NN=Cc1cc(C)n(-c2nccs2)c1C	1318966244	RHBJBXVPQQETHU-UHFFFAOYSA-N	306.347	1.174	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C	1328614577	GZYXQPXDFFRIRX-VIFPVBQESA-N	318.443	1.146	50	20	DDGD	
Cn1ccc(NNC(=O)[C@H]2CCCN(Cc3ccccc3)C2)n1	1320981368	JSVBUCRMUKJLEQ-HNNXBMFYSA-N	313.405	1.775	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2cncn2C1)c1ccccc1Cl	1327618857	KYBZLIXHONPKGC-SNVBAGLBSA-N	318.764	1.560	50	20	DDGD	
N#CCCCCCC(=O)NNC(=O)c1n[nH]c2c1CCCC2	1326635909	KGAOTGZECVIAIN-UHFFFAOYSA-N	303.366	1.524	50	20	DDGD	
CC(C)(C=NNC(=O)c1ccc2ccccc2n1)S(C)(=O)=O	1320194204	ZCXQRQUGEBIORT-UHFFFAOYSA-N	319.386	1.774	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2ccc3ccccc3n2)n1	1320683504	GVSDGMREKKCJNG-UHFFFAOYSA-N	321.340	1.746	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CC23CCS(=O)(=O)CC3)cc1	1259179572	VVHLDZWOGVXCPS-CYBMUJFWSA-N	324.402	1.353	50	20	DDGD	
CC(C)N1CCC[C@@H]1C(=O)NNC(=O)c1ccc(Cl)nc1	1333375359	LZRHXKHVZRMEPA-LLVKDONJSA-N	310.785	1.369	50	20	DDGD	
CN(C)Cc1cc(C(=O)NC[C@]2(C)C[C@H]2Br)no1	1331153491	UACRRSKIAIHZMK-PWSUYJOCSA-N	316.199	1.640	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2cncn2-c2ccccc2)n[nH]1	1337309733	JBXUBEDCVKBASC-UHFFFAOYSA-N	324.344	1.233	50	20	DDGD	
CN(NC(=O)C(C)(C)[C@@H]1CCC[C@H](C(F)(F)F)N1)C(N)=O	1349391501	IVVVIHSOIOSNER-JGVFFNPUSA-N	310.320	1.127	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)nc1	1602324161	CGWIICBDIFMQLX-UHFFFAOYSA-N	324.296	1.378	50	20	DDGD	
N#Cc1ccc(NNC(=O)NC2CCC(C(=O)O)CC2)nc1	1605613246	YBKQVARPCMDNNR-UHFFFAOYSA-N	303.322	1.223	50	20	DDGD	
COC[C@@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2nn[nH]n2)cc1	1605052324	KDIRHOKURNDPNE-SRMXYGTFSA-N	313.317	1.352	50	20	DDGD	
O=C(NNc1cnccn1)Nc1cc(Cl)cc(C(=O)O)c1	1601561978	LZGYOCXXUDMHOP-UHFFFAOYSA-N	307.697	1.977	50	20	DDGD	
CC(=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1)C(C)C	1609060845	ISQOCPQSYTVJNN-UHFFFAOYSA-N	302.338	1.394	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@@H]1COc2ccccc2C1	1606529065	XPWDFQYPNRQMOI-NSHDSACASA-N	313.313	1.474	50	20	DDGD	
COCC(=O)NNc1cc(C(=O)O)ccc1Br	1606774492	QRCVJJKOZZEAPS-UHFFFAOYSA-N	303.112	1.237	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)Nc2cccc(C(=O)O)n2)n1	1600705425	LOYRQTKXADBLOC-UHFFFAOYSA-N	322.712	1.680	50	20	DDGD	
O=C(NCC1(C(=O)O)CCCCC1)NNC(=O)C1CCCC1	1601471364	DDISFOMUNMAGDT-UHFFFAOYSA-N	311.382	1.542	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(F)cc(C(=O)O)c2)o1	1600340898	BXEWOKBTVBSAPX-UHFFFAOYSA-N	306.249	1.500	50	20	DDGD	
NC(=O)NCCCCCC(=O)NNc1cccc(C(=O)O)c1	1601156632	XHWUKYLGNCLMKF-UHFFFAOYSA-N	308.338	1.057	50	20	DDGD	
Cc1cnc2cc(C(=O)NNc3ccc(C(=O)O)cn3)ccn12	1607908625	HYOGEZFGMVFLSC-UHFFFAOYSA-N	311.301	1.493	50	20	DDGD	
Cc1ccc(F)cc1C(=O)C(=O)NNc1ncccc1C(=O)O	1605284832	RYXIHLJYNAPSSA-UHFFFAOYSA-N	317.276	1.553	50	20	DDGD	
CO[C@H](C(=O)NNc1cccc(C(=O)O)c1C)[C@@H]1CCOC1	1606650439	LHNIDOUOOHDLPB-MFKMUULPSA-N	308.334	1.188	50	20	DDGD	
Cc1c(NNC(=O)N[C@H](C)c2csnn2)cccc1C(=O)O	1600051240	NCVQTAPETOBLEG-MRVPVSSYSA-N	321.362	1.932	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)CCOCC(F)F)cc1	1602127732	XODCGQCIKRAQAH-UHFFFAOYSA-N	302.277	1.429	50	20	DDGD	
CCOc1cc(C(=O)O)ccc1NC(=O)NNC(=O)C(C)(C)C	1605664038	AOHRJCSZEFCCFQ-UHFFFAOYSA-N	323.349	1.982	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cc(C(=O)O)on1	1600305005	CEPJATYIBSATMN-UHFFFAOYSA-N	306.234	1.346	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2CCc3cncn3C2)cccc1C(=O)O	1600052302	HAQNCJOONLDGOL-LLVKDONJSA-N	314.345	1.595	50	20	DDGD	
Cc1c(NNC(=O)[C@H]2CCCC23OCCO3)cccc1C(=O)O	1600052312	HHRRIEQLPWGZFL-GFCCVEGCSA-N	320.345	1.680	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNC(=O)c2cc(Cl)ccc2O)o1	1602323335	BKPAMIYBKBVPMF-UHFFFAOYSA-N	324.676	1.412	50	20	DDGD	
O=C(O)CC1(CC(=O)NNC(=O)[C@@H]2CCCCO2)CCCC1	1610753697	VHXYUEQFZWTEIC-NSHDSACASA-N	312.366	1.128	50	20	DDGD	
CCc1nc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)cs1	1549320747	NQGBEOXKHGTSMM-VXGBXAGGSA-N	308.407	1.019	50	20	DDGD	
COCc1csc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)c1	1549314831	MQDYXBVCFXYQAG-TZMCWYRMSA-N	323.418	1.208	50	20	DDGD	
CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)Br	1801958937	BNQMXBGDISIHLA-CHWFTXMASA-N	317.227	1.818	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@@H]1C=NNC(=O)Cc1cc[nH]n1	1552763600	XEKIEAMCZRVBIJ-BXUZGUMPSA-N	316.365	1.048	50	20	DDGD	
N#CCC(=O)N1CCC2(CCCN(C(=O)[C@H](F)Cl)C2)CC1	1810901763	RAAMOPAMMSOTHE-LBPRGKRZSA-N	315.776	1.666	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C[C@@H]1CCCO[C@@H]1c1ccnn1C	1552448604	CZYCFBIWNMWJFU-FZMZJTMJSA-N	316.365	1.335	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](N)Cc2cc3ccccc3o2)ncn1	1579635641	JIUSDJDAUAADDR-CYBMUJFWSA-N	311.345	1.544	50	20	DDGD	
CS(=O)(=O)c1ccc(NNC(=O)/C=C/[C@H]2CCCNC2)cc1	1579351284	HFMRZBSDMUCECI-OXFRDRNISA-N	323.418	1.089	50	20	DDGD	
C[C@H]1CCN[C@H](C(=O)NN=c2sc3ccccc3n2C)C1	1576746389	ZPSMRSCPFHPKNE-QWRGUYRKSA-N	304.419	1.560	50	20	DDGD	
CC(C)C[C@@H](N)CC(=O)NN=c1sc2ccccc2n1C	1575631832	WCFUDBSKTKYCBB-LLVKDONJSA-N	306.435	1.935	50	20	DDGD	
CC(C)(C(=O)O)C(=O)NNC(=O)c1cccc2ccccc12	1588618350	CTWVLYKCEZGPDY-UHFFFAOYSA-N	300.314	1.712	50	20	DDGD	
O=C(O)CCC(Cc1ccccc1)=NNC(=O)c1ncccn1	1595001413	RVHOBQOJGUUZCZ-UHFFFAOYSA-N	312.329	1.670	50	20	DDGD	
COC[C@H](C)C(=O)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846386780	WVAMBFUCLMNJAR-VIFPVBQESA-N	323.220	1.276	50	20	DDGD	
CN(C)c1cccc(C(=O)NN[C@@H](C(=O)O)c2ccsc2)c1	1598335242	DVIAIZVZMDFHHM-CYBMUJFWSA-N	319.386	1.874	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@H]1C(=O)NNc1ccc(C(=O)O)cc1F	1594197538	UOQYUKMFBHKUCZ-LDYMZIIASA-N	308.309	1.972	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1ccc(F)c(-c2nn[nH]n2)c1	1591043763	FUPLWUXJSYXEGY-UHFFFAOYSA-N	318.139	1.882	50	20	DDGD	
C[C@@H]1CC=CC[C@H]1NC(=O)NNc1cccc(-c2nn[nH]n2)c1	1591732543	SNWFOEPTGKPDGN-ZWNOBZJWSA-N	313.365	1.848	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2cc(C(=O)O)co2)nn1	1590493524	MRJOYHYIAYCIGM-UHFFFAOYSA-N	304.306	1.822	50	20	DDGD	
CCc1c(C(=O)NNc2cccc(C(=O)O)c2)cnn1CC	1597410767	IYNJKIIWPBJLDO-UHFFFAOYSA-N	302.334	1.921	50	20	DDGD	
O=C(O)c1c(Br)cccc1C=NNC(=O)C(F)F	1776054189	LVFRISRXXPSCIT-UHFFFAOYSA-N	321.077	1.863	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NN=Cc1ccccc1C(=O)O	1776098652	SCCOTAITPLRNSV-CYBMUJFWSA-N	303.362	1.708	50	20	DDGD	
C/C=C/C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](Cl)CC)CCO2	1783061986	BWCMWPWZLFHRGL-BYSCNOHMSA-N	314.813	1.410	50	20	DDGD	
CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](O)CCl)C3)CC1	1795390439	AVXYIGHBCODJAC-WRWGMCAJSA-N	314.813	1.024	50	20	DDGD	
O=C(CSc1nncn1C1CC1)NNC(=O)c1cccs1	11721728	NOMFVHIMXHGPRJ-UHFFFAOYSA-N	323.403	1.228	50	20	DDGD	
CC(C)C(=O)NNC(=O)COc1ccc(Br)cc1	15983423	BVTKLDPRLXSGQQ-UHFFFAOYSA-N	315.167	1.631	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)N[C@@H]1C=CCCC1	158719483	ACNKPQXYQGHPQO-GFCCVEGCSA-N	313.361	1.316	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1ccnc(N2CCCC2)c1	158764578	XKNAADADZFFOIC-OWBHPGMISA-N	300.362	1.742	50	20	DDGD	
O=Cc1cccc(OCC(=O)NNc2ccc([N+](=O)[O-])cc2)c1	151196589	USYMNIRPPHGEDK-UHFFFAOYSA-N	315.285	1.929	50	20	DDGD	
Cc1nc(CC(C)C)c(C(=O)NNC(=O)c2cnn(C)c2)s1	152080605	KAQDUMHGAILRQQ-UHFFFAOYSA-N	321.406	1.458	50	20	DDGD	
O=S(=O)(CCCCCl)NCCc1cn2c(n1)CCCC2	153390924	LDYFKRULUMHTOX-UHFFFAOYSA-N	319.858	1.700	50	20	DDGD	
CN1CCO[C@@H](C(=O)NNc2ccccc2Br)C1	153475746	DHAHCAXOCASGCV-LLVKDONJSA-N	314.183	1.223	50	20	DDGD	
CS[C@@H](C)CC(=O)NNC(=O)c1c(C)nc2ccccn12	156198843	PKGVLPKEOUZOHQ-VIFPVBQESA-N	306.391	1.545	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1cccc(-c2ncco2)c1	156235521	PSXDUBJXXNSTCD-UHFFFAOYSA-N	303.322	1.056	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC[C@@H]1CC(=O)c1cnn(C)c1	154990085	FMVRNTOXRPXGDY-XMXAVACDSA-N	316.361	1.428	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cccc(F)n2)c2ccccc21	159294083	MAPSSBVAYFZZTK-UHFFFAOYSA-N	312.304	1.787	50	20	DDGD	
CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)CCCCl	36881814	HHXGBUGSPYKWKW-UHFFFAOYSA-N	305.783	1.806	50	20	DDGD	
NC(=O)C[C@@H]1CCN(S(=O)(=O)c2ccc(CCl)cc2)C1	690806804	SLDKCVBAOSFRCU-NSHDSACASA-N	316.810	1.311	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCCC[S@@](C)=O	116963998	QPIPRDYZUZXHQX-NRFANRHFSA-N	312.395	1.099	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](C)N2CCCCCC2)nc1	179785141	MHPXKRVNJRMSAB-LBPRGKRZSA-N	320.393	1.576	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)Cc1ccc(Cl)s1	109826365	MHAJGZCHARZTCZ-MRVPVSSYSA-N	303.815	1.779	50	20	DDGD	
CCc1nnsc1C(=O)NNC(=O)CCc1ccccc1O	106287653	QWFBLIHHKJHOLI-UHFFFAOYSA-N	320.374	1.200	50	20	DDGD	
CCCCNC(=O)NNC(=O)COc1ccc(C#N)cc1OC	64884554	HRYGIENYSNUKOL-UHFFFAOYSA-N	320.349	1.076	50	20	DDGD	
O=C(NCc1ccoc1)NNC(=O)c1cccc2cccnc12	64630546	DTTPGMPYBWSUOS-UHFFFAOYSA-N	310.313	1.972	50	20	DDGD	
COCCCNC(=O)NNC(=O)C(F)(F)c1ccccc1	65205009	TUEHULDZFNDSPP-UHFFFAOYSA-N	301.293	1.145	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCC(=O)N(CC)Cc1ccccc1	67182377	CCKOFNKAVKRLLO-PTNGSMBKSA-N	315.373	1.595	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CCOc2ccccc2)c1	61480875	XAOYWRBNOJLEJQ-UHFFFAOYSA-N	309.325	1.788	50	20	DDGD	
Cc1nc([C@@H](C)NC(=O)NNc2cccc([N+](=O)[O-])c2C)no1	1346695458	KSJFNFPWDNPPCA-MRVPVSSYSA-N	320.309	1.982	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)NC(C)C)c(OC)c1	63270651	NKAVQFVYLCFHGJ-SOFGYWHQSA-N	307.350	1.456	50	20	DDGD	
O=C(CN1CCC[C@H]1Cc1ccccc1)NNC(=O)C1CC1	112976398	MRWLGGSQBQBIEK-HNNXBMFYSA-N	301.390	1.251	50	20	DDGD	
Cc1nc(CCCC(=O)NNC(=O)Cc2ccncc2)cs1	177701686	HHGWXADCJSOCFX-UHFFFAOYSA-N	318.402	1.559	50	20	DDGD	
CSc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)o1	112227156	GNMAAXWVIIZOSR-UHFFFAOYSA-N	321.314	1.985	50	20	DDGD	
C=CCN(CC=C)[C@H](CNC(=O)NNc1cccnn1)C(C)C	172445626	SIEPVOIOWFHRMH-CQSZACIVSA-N	318.425	1.801	50	20	DDGD	
C[C@H](OCC1CC1)C(=O)NNC(=O)c1cn(C)c2ccccc12	68350137	JPJWFKOHNMWJKC-NSHDSACASA-N	315.373	1.754	50	20	DDGD	
O=C(NCCc1cscn1)NNC(=O)c1cccc(Cl)c1	178544018	YJYIJYCZQJYATC-UHFFFAOYSA-N	324.793	1.983	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)CCOc2ccccc2)on1	64230280	KNCQIQLDVJHZBV-UHFFFAOYSA-N	318.333	1.283	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(OC)cc1Br	124323068	KGTHHRUEFRBSHP-UHFFFAOYSA-N	317.139	1.849	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NC[C@H]1CC=CCC1	127492974	MFSXXYIYIQSAGQ-AWEZNQCLSA-N	317.389	1.890	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccn2C)cc1[N+](=O)[O-]	302717827	GHQZXVSRTCCKAS-UHFFFAOYSA-N	318.289	1.017	50	20	DDGD	
CCCOc1ccc(CNC(=O)NNC(=O)c2ccc[nH]2)cc1	124504527	VPOYAPCMNFXACQ-UHFFFAOYSA-N	316.361	1.948	50	20	DDGD	
CCC(=O)N1CC[C@@H](NC(=O)NNc2c(C)cccc2F)C1	185560640	IJRIHQCBALDXSN-LLVKDONJSA-N	308.357	1.771	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2ccc(C#N)cc2)CC[C@H]1C	126709945	JHDSGEOBPSHTCC-VXGBXAGGSA-N	300.362	1.891	50	20	DDGD	
C=C[C@@](C)(CCOC)C(=O)NNC(=O)CCc1ccccc1	188446992	PNIJLNVLIVTDDK-KRWDZBQOSA-N	304.390	1.995	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNc1cccc(S(C)(=O)=O)c1	181113544	ZFUOIPZNRVQUPZ-SNVBAGLBSA-N	300.380	1.348	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)[C@@H]1C[C@H]1C1CC1	125613293	FHFBDTYCVWESIK-WDEREUQCSA-N	306.387	1.678	50	20	DDGD	
COc1cccc(NNC(=O)Nc2cnc(C3CC3)nc2)n1	184007145	CYAPHTNSKRCJQG-UHFFFAOYSA-N	300.322	1.906	50	20	DDGD	
COc1cccc(NNC(=O)c2cnc3c(c2)c(C)nn3C)n1	180699406	GHABMZFSWILVAR-UHFFFAOYSA-N	312.333	1.437	50	20	DDGD	
C[C@H](C1CC1)N(CC(=O)NNC(=O)c1ccccc1)C1CC1	182043196	YMEPNWBUAVNURX-GFCCVEGCSA-N	301.390	1.711	50	20	DDGD	
O=C(NC[C@H]1CC(=O)N(C2CC2)C1)NNc1ccccc1Cl	182021547	MQBYSWXDTOVSGE-SNVBAGLBSA-N	322.796	1.977	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNC(=O)COc1ccc(C)cc1	182607723	LPOTUQBVBHFIDO-CYBMUJFWSA-N	308.378	1.584	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)Nc2cnn(C)c2)c1	183225004	AIQRIEKIXUYUEI-UHFFFAOYSA-N	317.349	1.269	50	20	DDGD	
C[C@H](CSCc1ccccc1)C(=O)NNC(=O)[C@@H]1CCCO1	133381560	JVQXMUKNGXIMDQ-OCCSQVGLSA-N	322.430	1.882	50	20	DDGD	
CN1C[C@H](C(=O)NNc2ccc(C(F)(F)F)cn2)CC1=O	131955166	WZCHRMXILSIIDF-SSDOTTSWSA-N	302.256	1.022	50	20	DDGD	
COCCN1C[C@@H](C(=O)NNc2cccc(Cl)c2)CC1=O	45317938	RPYZDZTVVPHRJM-JTQLQIEISA-N	311.769	1.278	50	20	DDGD	
CCc1cc(NNC(=O)C[C@@H](C)OC)nc(-c2ccccn2)n1	131278102	AMNPSPIDUKFZBE-LLVKDONJSA-N	315.377	1.969	50	20	DDGD	
COc1nccnc1NNC(=O)Cc1csc(C(C)(C)C)n1	131921617	XRKSWYJULVOHME-UHFFFAOYSA-N	321.406	1.925	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc(-n2ccnn2)cc1	89768688	IYPBXIIWMPQLDC-UHFFFAOYSA-N	301.350	1.465	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2SCCc3sccc32)cn1	80356232	WEQFATJWUGKVSC-LLVKDONJSA-N	322.415	1.273	50	20	DDGD	
CN(C)[C@@H](C(=O)NNC(=O)Cc1ccncc1)c1ccccc1	82977809	WFTCAVWHTXFPEP-MRXNPFEDSA-N	312.373	1.074	50	20	DDGD	
COCCN(C)CCCNC(=O)/C(C#N)=C\c1ccc(O)cc1	194259380	OZYIETTWJTYTTP-QINSGFPZSA-N	317.389	1.384	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C[C@H]2CCCOC2)cc1	195007677	AMXXNPPMVATSPF-CYBMUJFWSA-N	306.362	1.338	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1O	191359105	LSNZCTGBTOIIDS-UHFFFAOYSA-N	315.285	1.684	50	20	DDGD	
Cc1cccnc1C(F)(F)C(=O)NNC(=O)c1cccn1C	195313991	OULAHMWVPQRDOP-UHFFFAOYSA-N	308.288	1.282	50	20	DDGD	
CC(C)c1cccc(O[C@H](C)C(=O)NNC(=O)C(C)(C)O)c1	190050748	YLSPBJTWMAQMIE-LLVKDONJSA-N	308.378	1.496	50	20	DDGD	
COc1ccc(C(C)=O)cc1CC(=O)NNC(=O)c1ccc[nH]1	96950725	HZLUKVPXONXRGX-UHFFFAOYSA-N	315.329	1.230	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2CCc3c(O)cccc32)n1	266734621	DJZPJRNCVCCMFS-NSHDSACASA-N	315.333	1.504	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)NC2CC(C)C2)cc1C	267984245	GRKYUWOLMPZJHY-UHFFFAOYSA-N	318.377	1.371	50	20	DDGD	
O=C(NNC(=O)c1ccc(F)cc1C(F)(F)F)NC1CC1	269353575	SBKYQXRDSYRHFG-UHFFFAOYSA-N	305.231	1.951	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O)C1CCC1	264824555	XWHNSNILDMDFDP-ZDUSSCGKSA-N	319.336	1.126	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)CSc2ccccc2O)O1	270721350	RHGXJNSNTWILLY-CMPLNLGQSA-N	324.402	1.589	50	20	DDGD	
COc1ccnc(NNC(=O)NCC[C@@H]2CCO[C@H](C)C2)n1	273344692	BBMKBPRGVUKTBA-GHMZBOCLSA-N	309.370	1.317	50	20	DDGD	
C=CCCCCNC(=O)NNC(=O)CNC(=O)c1cccs1	274539388	GBVIVNRRYNWHCZ-UHFFFAOYSA-N	324.406	1.165	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc2nc(OC)ccc2c1	276015658	JLRXAQWMXJQKBO-UHFFFAOYSA-N	317.349	1.941	50	20	DDGD	
Cc1nnc([C@@H](C)NS(=O)(=O)CBr)s1	273667338	YTRURFDDERPXMH-SCSAIBSYSA-N	300.203	1.179	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)CC(C)(C)OC)cc1OC	278699459	FTWJLQSZWVHBMX-UHFFFAOYSA-N	324.377	1.670	50	20	DDGD	
C=C(C)[C@@H](CC(=O)NNC(=O)COc1cccc(C)c1)OCC	270148680	VBQWAUWZHXLRMO-OAHLLOKOSA-N	320.389	1.893	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)Nc1cnn(C[C@H]2CCCO2)c1	373302450	NGWSGMSOEYLCGM-CYBMUJFWSA-N	302.338	1.028	50	20	DDGD	
CCCC(=O)N1CSC[C@@H]1C(=O)NNc1ccc(OC)cn1	275560561	MSQDAYAYWJRFSM-LLVKDONJSA-N	324.406	1.235	50	20	DDGD	
COc1cccc(NNC(=O)CCCNC(=O)OC(C)(C)C)n1	272577918	XJUXIYAHTLCHLM-UHFFFAOYSA-N	324.381	1.838	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)Cc2ccc(F)cc2)CCO1	271297261	TVWKCHGOKQHGSG-MFKMUULPSA-N	309.341	1.266	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCc2ccncc2C)n1	279878584	JZROWQQFNQHTMA-UHFFFAOYSA-N	313.361	1.280	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCCN2C2CC2)cc1	279788671	UWICICKXIWHQEK-HNNXBMFYSA-N	317.389	1.148	50	20	DDGD	
CSSCCNC(=O)[C@@H]1COCCN1CC(F)(F)F	375876795	NVZYYMHLRYFYGR-QMMMGPOBSA-N	318.386	1.377	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1	373941696	AELCWHARHAUBTH-QWHCGFSZSA-N	313.361	1.685	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1ccccc1OC(F)F	288947160	OQEBEXMIWGYQKJ-UHFFFAOYSA-N	310.278	1.180	50	20	DDGD	
COCCN(C)NC(=O)CCCc1ccc2c(c1)CC(=O)N2	288646060	XTEMOEJHARDXTQ-UHFFFAOYSA-N	305.378	1.113	50	20	DDGD	
C[C@@H]1CCC[C@@H]1NC(=O)NNc1ccc(-n2ccnc2)nn1	287331732	KVUYIQFTGSJYNR-MNOVXSKESA-N	301.354	1.477	50	20	DDGD	
COc1cccc(NNC(=O)NCC2([S@@](C)=O)CCC2)n1	281567009	OJEVQTZSHSTXCZ-OAQYLSRUSA-N	312.395	1.018	50	20	DDGD	
O=C(NNc1ncccc1F)c1ccc(N2CCCC2)nn1	285896720	HIDGRKBOMHIRAF-UHFFFAOYSA-N	302.313	1.368	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc2c(c1)NC(=O)CCS2	286464407	UCCZAPLSOJAFTH-UHFFFAOYSA-N	309.347	1.464	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)CCc2ncc[nH]2)c1	281285728	XIGCFXWDHVWLDK-UHFFFAOYSA-N	316.361	1.186	50	20	DDGD	
O=C(Cc1cccc(N2CCCC2=O)c1)NNc1cccnn1	280332136	SQWKUGZDKLBZTH-UHFFFAOYSA-N	311.345	1.289	50	20	DDGD	
CCCCCCC(=O)NNC(=O)CNC(=O)c1cccs1	299636443	HVJIRZXAEARURW-UHFFFAOYSA-N	311.407	1.596	50	20	DDGD	
CCOC(=O)CCCNC(=O)NNC(=O)Nc1ccccc1C	298661093	IZQUYVSPNDWFSK-UHFFFAOYSA-N	322.365	1.674	50	20	DDGD	
N#Cc1cccc2c1CCN2S(=O)(=O)CBr	817146607	SCHKLGNQMGRETD-UHFFFAOYSA-N	301.165	1.603	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1conc1C1CC1	290156039	CTYIDGHKPFPGCW-UHFFFAOYSA-N	315.329	1.651	50	20	DDGD	
COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NNc2ccncn2)c1	295436433	JYRQMSIMVWBUDA-WCQYABFASA-N	314.345	1.741	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)NCCOCC2CC2)c1	297138772	HLOUQZDKINSXHM-UHFFFAOYSA-N	306.366	1.698	50	20	DDGD	
COc1ccc(SCC(=O)NNC(=O)[C@H]2CCCCO2)cc1	295275975	CFLDMSOKCSOVCI-CYBMUJFWSA-N	324.402	1.504	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1ccccc1OCC(N)=O	808247346	ZDEQOAQUBOJPCY-UHFFFAOYSA-N	305.161	1.426	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Nc1ccc(N(C)C)cc1)N(C)C	802119810	SVXBXIGCQXKNDH-CYBMUJFWSA-N	307.398	1.246	50	20	DDGD	
CC(=O)Nc1ccc(Cl)c(C(=O)NNC(=O)CC2CC2)c1	294187529	ONTRJBMFMHXNBH-UHFFFAOYSA-N	309.753	1.860	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)c1cncs1	807251762	ZRQAVWRMQPHISB-UHFFFAOYSA-N	321.358	1.382	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc(F)c(C(F)(F)F)cc1F	804323718	LDBYTVTZNBJLID-UHFFFAOYSA-N	311.210	1.900	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H]2CCCCN2C(C)=O)cc1	294407008	QXLSGXBVKLOHDC-OAHLLOKOSA-N	305.378	1.929	50	20	DDGD	
CC1(C(=O)OCC(=O)NNC(=O)c2ccccc2)CCCC1	809127231	LQHVLZMPQMCLPX-UHFFFAOYSA-N	304.346	1.571	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC1CCN(CC(F)(F)F)CC1	291553188	QLQOWQQEVNKOHS-CSKARUKUSA-N	305.300	1.573	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(F)c(F)c2F)O1	293968514	RTONQRYLHRGQHY-RCOVLWMOSA-N	302.252	1.432	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCCO[C@@H]2CCOC2)cc1	297968530	NOOSZERMPYZOFG-OAHLLOKOSA-N	323.393	1.907	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(F)cc(Cl)c1	295395034	LVMYUUNMEWYBMM-NSHDSACASA-N	300.717	1.809	50	20	DDGD	
Cc1nc2c(C(=O)NNC(=O)N=c3cc[nH]cc3)cccc2o1	802024435	DZNSOZXUUUKKSC-UHFFFAOYSA-N	311.301	1.420	50	20	DDGD	
COCCOCc1ccc(C(=O)NNc2cnccn2)cc1	291715059	PDCOMWJWRWWJBB-UHFFFAOYSA-N	302.334	1.397	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1ccn(CC(F)F)n1	805459449	MGOXSLXDAOSANK-UHFFFAOYSA-N	322.319	1.963	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H]2CCn3ccnc3C2)cc1	817879047	ADHKCLPCWIWEDS-LBPRGKRZSA-N	300.362	1.988	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1csc(Br)c1	814957998	YPZJEXBABQXKOX-UHFFFAOYSA-N	313.180	1.927	50	20	DDGD	
Cn1nncc1NNC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1	816770006	GJACBJHYODXRJT-ZDUSSCGKSA-N	318.356	1.062	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1cccnc1F	813424592	QGKBQSRMJIWYTA-UHFFFAOYSA-N	308.338	1.469	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H]2CCc3nccn3C2)cc1	817904745	OUDDCNVRQIQPNQ-LBPRGKRZSA-N	300.362	1.988	50	20	DDGD	
CC(=NNC(=O)NCCc1cccs1)c1ccc(N)nc1	814818131	FLUZITMFWONJON-UHFFFAOYSA-N	303.391	1.991	50	20	DDGD	
C#CCOc1ccc(C=NNC(=O)COc2ccccc2O)cc1	814953790	UDKGJMBHACUHBA-UHFFFAOYSA-N	324.336	1.933	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H](C)NC(=O)CC)cc1C	812722016	IJOUWYAMCBKAMI-LLVKDONJSA-N	321.377	1.530	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)c2ccc(Cl)cc2)n1C	811629018	HJKIHLQCWPHCSW-UHFFFAOYSA-N	305.769	1.903	50	20	DDGD	
CC(C)(C)Oc1ccc(C(=O)NNC(=O)NCC2CC2)nc1	814311393	CRIQESLDJMJNFP-UHFFFAOYSA-N	306.366	1.613	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)CCc2ccccc2)on1	814825835	MBHPNGMNCWLMSD-UHFFFAOYSA-N	301.302	1.544	50	20	DDGD	
O=C(C[C@@H]1CC[C@@H]2C[C@H]12)NNC(=O)[C@@H]1COc2ccccc2O1	822192276	HHWMLKMKLKOBDW-YXMPFFBPSA-N	316.357	1.410	50	20	DDGD	
COC(=O)NNC(=O)c1coc(CNC(=O)OC(C)(C)C)c1	495508590	HZBWMROEEKSEPX-UHFFFAOYSA-N	313.310	1.305	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@@H]3CCCN3C=O)nc12	828359407	ZWSZGVSTCSJCAA-JTQLQIEISA-N	304.375	1.669	50	20	DDGD	
CC[C@H](Cc1ccccc1)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	825890657	JNOCJTFIFFLHOC-BPLDGKMQSA-N	319.405	1.763	50	20	DDGD	
CCCN(CC)Cc1ccc(C(=O)NN(CC)CCO)cc1	823856665	WVDZAVHWPRINSJ-UHFFFAOYSA-N	307.438	1.878	50	20	DDGD	
N#C/C(=C/c1cnccn1)C(=O)NCc1ccc(F)cc1F	490969105	CZRYFJXPEHCILQ-WZUFQYTHSA-N	300.268	1.978	50	20	DDGD	
Cc1ccccc1C1(C(=O)NN(C)[C@H](C)CO)CCOCC1	823965177	JZVFCBRQEGFPNG-CQSZACIVSA-N	306.406	1.387	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNC(=O)NC1CCCCC1)C(C)C	491281775	DIXKJNOOFCGAQC-NSHDSACASA-N	314.386	1.030	50	20	DDGD	
C[C@H]1CCCC[C@@H]1C(=O)NNC(=O)CNC(=O)OC(C)(C)C	496222834	DXFIMXZSGLYIFG-QWRGUYRKSA-N	313.398	1.485	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)C(C)(C)c1ccc2c(c1)OCCO2	823965413	MLKNCWOTCWLBAE-NSHDSACASA-N	308.378	1.079	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc(C(=O)O)cc1)C1CC1	820136744	ZJQSIVZAIDHWCT-QMMMGPOBSA-N	307.375	1.292	50	20	DDGD	
CN(C)c1ncc(/C=C(\C#N)c2nnc3n2CCCCC3)n1C	821027948	NLIMDYLQUDMBIT-FMIVXFBMSA-N	311.393	1.868	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2nccn2CC(F)(F)F)n[nH]1	727683534	LAUVZRZQTYOYBB-UHFFFAOYSA-N	314.271	1.170	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCc2ccc3c(n2)CCCC3)cn1	491088116	YQSMYDIMTZLJQY-NVNXTCNLSA-N	321.384	1.917	50	20	DDGD	
C[C@@H]1O[C@H](C)CC1=NNC(=O)CCCNC(=O)OC(C)(C)C	496651581	RTMGROQKNWQGLD-MNOVXSKESA-N	313.398	1.961	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(OC)c(Br)c1	823838857	XOOTYDUPQOXFKJ-UHFFFAOYSA-N	317.183	1.417	50	20	DDGD	
COC(=O)N(C)NC(=O)c1nnn(-c2cccc(C)c2)c1C	495693077	LTQQTCKCKYPFNT-UHFFFAOYSA-N	303.322	1.227	50	20	DDGD	
CC(=NNC(=O)C1CCN(c2ncccn2)CC1)c1ccc[nH]1	728783937	OBEREKFKCWCEAM-UHFFFAOYSA-N	312.377	1.562	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)C2(C(=O)C3CC3)CC2)c1	822223220	LXSAVAHPFSPAGM-UHFFFAOYSA-N	315.373	1.273	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC(C(=O)NNC=C(C#N)C#N)CC1	491557068	GTSCMPKRIGDBHT-UHFFFAOYSA-N	319.365	1.185	50	20	DDGD	
C[C@H](Cc1cccs1)N(C)C(=O)c1ccc(B(O)O)c(F)c1	584957835	SDMCRLCFRFYZOR-SNVBAGLBSA-N	321.182	1.270	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NNc2ncccn2)C1	820934524	DBTGGYDGUMTQHU-MGCOHNPYSA-N	307.354	1.223	50	20	DDGD	
CCOC(=O)NNC(=O)C1CCN(C(=O)OCC(C)C)CC1	490967090	PCAHTCYETAVLIJ-UHFFFAOYSA-N	315.370	1.268	50	20	DDGD	
COC[C@@H](C)OC(=O)/C(C#N)=C\c1cc(-c2nn[nH]n2)cs1	821682803	NXMCFAAFGGOKPR-MMEMACFNSA-N	319.346	1.413	50	20	DDGD	
CN(C/C=C\C(=O)NNC(=O)OC(C)(C)C)CC(F)(F)F	493745796	AQDBYVRTLCGANC-WAYWQWQTSA-N	311.304	1.593	50	20	DDGD	
COc1ccc(-c2ncc(C(=O)NN(C)[C@H](C)CO)s2)cc1	823950336	BWHLJZUZFMJOOP-SNVBAGLBSA-N	321.402	1.776	50	20	DDGD	
CC[C@@H](C)CCNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	820873197	MAQVEUFJBHWAQD-SNVBAGLBSA-N	308.338	1.975	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1CCCC2(CCCCC2)C1	584946834	YKARMWOSRKWKSL-UHFFFAOYSA-N	319.185	1.692	50	20	DDGD	
CCN(CCO)NC(=O)c1cnc2c(cnn2CC(C)C)c1	823855835	HEBSAUXXRQVECT-UHFFFAOYSA-N	305.382	1.046	50	20	DDGD	
CCCCOc1cccc(CNCc2ccc(B(O)O)o2)c1	585015976	PEUXKIZFJOQGSU-UHFFFAOYSA-N	303.167	1.428	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CO[C@@H](C)C2)cc1C	828422622	VQQHAJDAFXWOIE-STQMWFEESA-N	321.377	1.190	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cc3ccccc3o2)CO1	826131229	OBHGSUVWSPSVSW-MWLCHTKSSA-N	303.318	1.554	50	20	DDGD	
COc1ccnc(NNC(=O)CCc2ccc(C(=O)O)cc2)n1	738142713	FSIXSHWWGBUVJH-UHFFFAOYSA-N	316.317	1.259	50	20	DDGD	
C=C(C)CN1CCC(NC(=O)/C(C#N)=C/c2cnn(C)c2)CC1	491107357	VAEIRGAFIKNNLX-OVCLIPMQSA-N	313.405	1.484	50	20	DDGD	
CC(C)[C@H](CNCc1ccc(B(O)O)o1)Nc1ccccc1	585015080	NZJANMHSXHQKHD-HNNXBMFYSA-N	302.183	1.186	50	20	DDGD	
COc1ccccc1CC(C)(C)C(=O)N1CC[C@@H](B(O)O)C1	585071060	LSJBNJJUQIUMCD-CYBMUJFWSA-N	305.183	1.339	50	20	DDGD	
Cc1ccc(-n2c(C)cc(/C=C/C(=O)NCB(O)O)c2C)cc1	585058337	XZONRWLCMMNMKC-RMKNXTFCSA-N	312.178	1.544	50	20	DDGD	
C[C@H](O)C[C@H]1CCCCN1C(=O)/C(C#N)=C/c1cnn(C)c1	490975894	QEPDMOSJBRWDNI-TYEFIXRYSA-N	302.378	1.479	50	20	DDGD	
CCc1nc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)sc1C	831506869	YYHXJRKPEAJGOS-CBAPKCEASA-N	312.395	1.592	50	20	DDGD	
CCC(CC)NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1cnn(C)c1	837968890	HIXNGYDECAGNST-ZTFCMROMSA-N	318.377	1.564	50	20	DDGD	
C[C@@]1(C(=O)Nc2n[nH]c(-c3ccccn3)n2)C[C@@H]1Br	906374389	GUEXMDSYRLXHAY-QPUJVOFHSA-N	322.166	1.979	50	20	DDGD	
COC[C@@H](C)CNC(=O)NNc1ccc(C(=O)OC)cc1F	838482050	LLGZXEJGFDSABV-VIFPVBQESA-N	313.329	1.521	50	20	DDGD	
CO[C@@H]1COCC[C@H]1CNC(=O)/C(C#N)=C\c1ccc(O)cc1	491012855	SEJNMCFUUFXEFO-ZKUVKCCHSA-N	316.357	1.467	50	20	DDGD	
O=C(NN=C1CCSc2c(Cl)cccc21)C(=O)NC1CC1	731925141	QURUBZGDEJDZMD-UHFFFAOYSA-N	323.805	1.935	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cccc(CC#N)c1	831855625	YYVPXGFUJRMWGV-ZWNOBZJWSA-N	302.334	1.330	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1cc(C(=O)O)c(F)cc1F	833422066	UZVSYCYMCXGMLK-UHFFFAOYSA-N	315.276	1.862	50	20	DDGD	
Cc1nc(CN2CCC(C(=O)NNC(=O)C(C)C)CC2)cs1	731597823	UHARZDOBQCHDLU-UHFFFAOYSA-N	324.450	1.467	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1C#N)c1nccs1	732621685	FCLJWCNJHQMOKN-UHFFFAOYSA-N	300.343	1.934	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C[C@@H]2CCOC2)cc1C	739678575	FBMXLBQZDZBHFC-ZDUSSCGKSA-N	306.362	1.256	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnc(-c2ccccc2)[nH]1	736072740	RMNYWIJDIRDCLE-UHFFFAOYSA-N	301.350	1.821	50	20	DDGD	
O=C(CCc1ccsc1)NNC(=O)COc1ccccc1O	730778704	KTKMTRFUCRDDNE-UHFFFAOYSA-N	320.370	1.613	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)CCOc2ccccc2)CCCCO1	837376274	BZRVBFGPVOVUDC-MRXNPFEDSA-N	306.362	1.562	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1CCc2cccc(O)c21	834933227	NCKUMKTXUOWLHY-GFCCVEGCSA-N	317.389	1.127	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)c(C2CC2)n1	836787540	LKYRIJFOJVDIKE-UHFFFAOYSA-N	311.345	1.551	50	20	DDGD	
CC1(C)CN(C(=O)c2cc(B(O)O)ccc2F)[C@@H]2CCC[C@H]21	584994559	KQPKQRRQNMCLPX-TZMCWYRMSA-N	305.158	1.156	50	20	DDGD	
C[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]2CCCC[C@H]21	584929206	OOVHMLVSQJYXDV-KCXAZCMYSA-N	301.195	1.407	50	20	DDGD	
C[C@@H]1OCC[C@]12CN(C(=O)[C@]1(C)C[C@@H]1Br)CCO2	907877048	YTUYGMUBTUZJIQ-DJIHRAIXSA-N	318.211	1.566	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CCO[C@@H](C)C2)cc1F	837057497	FSYHGJOISDYVBW-VHSXEESVSA-N	310.325	1.871	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)c(C2CC2)n1	836790410	HBZCPOZTHIONJA-CYBMUJFWSA-N	303.362	1.598	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cccc1N(C)C	831616870	VGOWILUKZALXAH-VXGBXAGGSA-N	320.393	1.639	50	20	DDGD	
CCOC(=O)c1ccc(NC(=O)NNC(=O)C2CCC2)cc1	732234722	XBLSZVJYWWLRIT-UHFFFAOYSA-N	305.334	1.816	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1ccc(O)cc1O)c1ccccc1	731173833	YUZDDUMGJTWKQQ-UHFFFAOYSA-N	314.341	1.837	50	20	DDGD	
COCCN(C)NC(=O)CN[C@@H](c1ccccc1)C(F)(F)F	837624645	YEFMERGKMBIEJJ-ZDUSSCGKSA-N	319.327	1.489	50	20	DDGD	
CCN(CC)CCC(=O)NN=C(C)c1ccc(CC(=O)O)cc1	915951888	LMPZBPPREYKUNB-UHFFFAOYSA-N	319.405	1.886	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=Cc1ccccc1	916372278	PPKFWEZDSAVZJW-RRFJBIMHSA-N	303.406	1.882	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=Cc1ncc(C)o1	834921891	IZUQGPUEWKUURD-UHFFFAOYSA-N	303.318	1.911	50	20	DDGD	
C#C[C@@H](NS(=O)(=O)c1ccc(CCl)cc1)[C@@H]1CCCO1	914391871	NUASURLSJLQMKP-KGLIPLIRSA-N	313.806	1.885	50	20	DDGD	
CC[C@@H]1COCCN1CCNC(=O)[C@]1(C)C[C@H]1Br	913809756	UZZPMABHCIESPN-NQBHXWOUSA-N	319.243	1.387	50	20	DDGD	
CC(C)Oc1cccc(CNC(=O)NNC(=O)c2ccc[nH]2)c1	918225281	JYWPSKNGQBKZJO-UHFFFAOYSA-N	316.361	1.946	50	20	DDGD	
CC(C)[C@H](C)N(C)CC(=O)NNC(=O)c1ccc(C#N)cc1	839460497	LVXGCGVMLCIADF-LBPRGKRZSA-N	302.378	1.296	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1C	843640048	APTKTHBQHIYAOH-ZFWWWQNUSA-N	320.389	1.645	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCCC1=NNC(=O)CNc1ccccc1	741453485	QNIMDQXEUWGMOM-CQSZACIVSA-N	323.418	1.558	50	20	DDGD	
COc1ccc(O)c(C(=O)NNc2nc(C)cc(OC)n2)c1	746693574	DLQCHQZFZWMMOF-UHFFFAOYSA-N	304.306	1.265	50	20	DDGD	
Cc1noc(CNC(=O)NNC(=O)c2cc3ccccc3o2)n1	749556333	BKFMUFXRVTWZPR-UHFFFAOYSA-N	315.289	1.268	50	20	DDGD	
CCC(=NNC(=O)COc1ccccc1F)c1cnn(C)c1	741805525	REIDYJZIMBMGLC-UHFFFAOYSA-N	304.325	1.869	50	20	DDGD	
CCC(CC)(C(=O)NNC(=O)C(C)(C)O)C(=O)OC(C)(C)C	845992467	MGPORCBRYVHXEA-UHFFFAOYSA-N	316.398	1.053	50	20	DDGD	
O=C(NCc1nc(-c2ccccc2)n[nH]1)NNc1cccnn1	741418727	SBNFHEXXTLMELO-UHFFFAOYSA-N	310.321	1.088	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1O)[C@@H](C)O	842227437	RIZBGPJSBPUGHC-APPZFPTMSA-N	300.742	1.214	50	20	DDGD	
COc1ccc(-c2nc(C(=O)NN(C)C[C@H](C)O)cs2)cc1	910179035	IDQIDYSDENFPCN-JTQLQIEISA-N	321.402	1.776	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCC(=O)C2)c1C	844127239	AUPBYFLVHCYFQV-LLVKDONJSA-N	305.403	1.990	50	20	DDGD	
COCC1(CC(=O)NNC(=O)COCc2ccccc2)CC1	843550755	BYRFAVDVEGJHOK-UHFFFAOYSA-N	306.362	1.167	50	20	DDGD	
C[C@H]1CN(C[C@@H](C)C(=O)NN=Cc2ccncc2)C[C@@H](C)O1	916371871	NBZIOSHJDPOXIV-MCIONIFRSA-N	304.394	1.277	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1	910150240	QNGXPQZKSRSBMF-HQJQHLMTSA-N	307.177	1.371	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)[C@H]1CC2CCC1CC2	842257368	MKVHZLPNLIZZPG-MCIGGMRASA-N	323.418	1.603	50	20	DDGD	
C=C(C)CONC(=O)NNC(=O)c1cc(OC)cc(OC)c1	845590833	TYBPGUMDOIMQFA-UHFFFAOYSA-N	309.322	1.156	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNc1ncc(Br)cn1	848322590	HHEKBUCCXBXPHO-BDAKNGLRSA-N	313.155	1.273	50	20	DDGD	
CC/C=C(\C)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1	744550442	YUYKGHLNOOAQAO-NYYWCZLTSA-N	315.329	1.219	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1CCCN2CCCC[C@H]12	848404431	LCUYPQFMZRBUNO-LLVKDONJSA-N	307.423	1.768	50	20	DDGD	
CC1(C)C[C@@H]1NC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	840409892	TVFGPKPIAHIYEF-ZDUSSCGKSA-N	313.361	1.615	50	20	DDGD	
COc1ccc(C(=O)NN=C2C[C@@H](C)n3ncnc32)c(OC)c1	841625072	YPCGCSYTVYHUNP-SECBINFHSA-N	315.333	1.394	50	20	DDGD	
C[C@H]1OC(=O)N[C@@H]1C(=O)NNc1c(Cl)cccc1Cl	841402310	BRCCUIYYJYQQLY-XRGYYRRGSA-N	304.133	1.933	50	20	DDGD	
COc1ccc([C@@H](C)CC(=O)NNC(=O)NCC2CC2)cc1	749923291	JKBCYYRDOKTOKZ-NSHDSACASA-N	305.378	1.929	50	20	DDGD	
N[C@H]1CCC[C@@H](NC(=O)NNC(=O)CCc2ccccc2)C1	841981374	ALNRZTPRELGDEZ-UONOGXRCSA-N	304.394	1.220	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1	747325065	ZIXZNICMGRCQHP-HUUCEWRRSA-N	313.332	1.714	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=C/C=C\c1ccc(F)cc1	747765232	XOAZRRLIKJVJIG-YNXSOUFHSA-N	316.292	1.385	50	20	DDGD	
CN(C)CC(=O)NNC(=O)C1(c2ccccc2Cl)CCC1	846634154	ZRNGOGDFBCBXJF-UHFFFAOYSA-N	309.797	1.471	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)COc2ccccc2CC)[C@H]1OC	841606967	OQBUNVRAEQTAAD-NVXWUHKLSA-N	320.389	1.924	50	20	DDGD	
CC(C)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1	858699247	MZNNFCUCMOBTHB-UPJWGTAASA-N	324.425	1.200	50	20	DDGD	
O=C(NN=CC1CCOCC1)C1CCN(c2ncccn2)CC1	755702062	WRPPMANCULJZPK-UHFFFAOYSA-N	317.393	1.222	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cccc2nc(O)[nH]c12)C1CC1	855097515	RRCBTGJYUCGQAB-ZETCQYMHSA-N	319.390	1.176	50	20	DDGD	
CC(C)c1nocc1C(=O)NNC(=O)COc1ccccc1O	859271031	MOISBEYQWHQVKZ-UHFFFAOYSA-N	319.317	1.344	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NN=Cc1cnc2n1CCC2	853273986	FNMGLNBIACIKRR-NSHDSACASA-N	316.336	1.886	50	20	DDGD	
CCOc1cccc(CC(=O)NNC(=S)N[C@H](C)C2CC2)n1	855096486	BSMQVUJIVZGARJ-SNVBAGLBSA-N	322.434	1.317	50	20	DDGD	
Cn1cnc2cc(C(=O)NNC(=S)NCC3CCC3)ccc21	855090247	RIIXJPUIGBQASL-UHFFFAOYSA-N	317.418	1.482	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@H]1CCCN2CCCC[C@@H]12	856919552	GFYLJWNYKQQBDF-RYUDHWBXSA-N	324.816	1.773	50	20	DDGD	
NC(=O)NC(=O)CCNC(=O)CCCC[C@H]1CCSS1	758298696	OXEUZNXEIFPPDS-VIFPVBQESA-N	319.452	1.402	50	20	DDGD	
CC[C@H](C(=O)NNc1cc(C)ncn1)N(C)C(=O)OC(C)(C)C	857127130	KKXGSQVKSHVURY-LLVKDONJSA-N	323.397	1.874	50	20	DDGD	
CC(C)c1cccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1	854294764	KVZJULAJFRXPGE-CYBMUJFWSA-N	324.402	1.006	50	20	DDGD	
COc1cccc(NCC(=O)NN=C2CN(C(C)C)C[C@H]2C)c1	754257057	GYHPPJCTFRACGH-CYBMUJFWSA-N	318.421	1.939	50	20	DDGD	
CCCC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1	920382445	XZIHJWPYGGRMLU-ZDUSSCGKSA-N	323.418	1.677	50	20	DDGD	
Cn1ncc([N+](=O)[O-])c1C(=O)NNc1ccc(C#N)c(Cl)c1	753322285	FKDKCWHEBGEHJW-UHFFFAOYSA-N	320.696	1.610	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)COc1ccc(F)cc1)n1ccnc1	920602019	GYRWUKXXGHPVAP-NSHDSACASA-N	320.324	1.200	50	20	DDGD	
Cc1nnsc1CNC(=O)NC[C@]1(C)C[C@@H]1Br	856859370	OACCQQMSIDJLJP-WPRPVWTQSA-N	319.228	1.819	50	20	DDGD	
Cn1c(=NNC(=O)C2(C(=O)O)CCC2)sc2ccccc21	852949254	CNIHEPYDIBOBHZ-UHFFFAOYSA-N	305.359	1.427	50	20	DDGD	
CCN(C)C(=O)[C@H](C)NC(=O)NNc1ccc(Cl)cc1F	922155632	DESFSVLFURVWBJ-QMMMGPOBSA-N	316.764	1.972	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)Cc2ccncc2)cc2n[nH]cc12	757820402	YUXHQAHXOIAHBD-UHFFFAOYSA-N	324.344	1.662	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C[C@@H]1C[C@@H]1c1ccccc1	755680096	YIBYLPLKCLUXOH-UONOGXRCSA-N	311.341	1.915	50	20	DDGD	
COC(=O)c1csc(NC(=O)NNC(=O)c2ccc[nH]2)c1	757678700	FBZZNKGBFPLBRO-UHFFFAOYSA-N	308.319	1.329	50	20	DDGD	
CCN1CC[C@H](NC(=O)NC[C@]2(C)C[C@@H]2Br)C1=O	856855288	ALCIBMZKNNRMCE-AUTRQRHGSA-N	318.215	1.080	50	20	DDGD	
CC(C)[C@@H](F)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855834107	YULCLDVGIJYOML-LLVKDONJSA-N	303.378	1.070	50	20	DDGD	
CC(=O)Nc1cccc(NC(=O)NNC(=O)c2ccncc2)c1	755495902	XVVHYKHXTMPGDG-UHFFFAOYSA-N	313.317	1.507	50	20	DDGD	
CCn1nccc1C=NNC(=O)[C@@H](C)CN1CCCCCC1	753694690	IMJIBQWGJBDJDT-AWEZNQCLSA-N	305.426	1.865	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cc(S(C)(=O)=O)ccc1F	755537688	YGWRTWZIFCBICG-UHFFFAOYSA-N	316.354	1.036	50	20	DDGD	
N#CCSc1ccccc1C(=O)NNC(=O)c1ccncc1	766792095	OURJYIFNQFDQPI-UHFFFAOYSA-N	312.354	1.772	50	20	DDGD	
CN(C)CC(=O)NNC(=O)C(C)(C)c1ccc2ccccc2c1	769016456	LGBOUEWTWOKEHJ-UHFFFAOYSA-N	313.401	1.826	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@H]1CCCN1C(C)C	934829564	OMKSOWWZBYQMJF-OAHLLOKOSA-N	303.406	1.558	50	20	DDGD	
CCOC(=O)N1CSC[C@H]1C(=O)NNc1ncccc1F	935917913	FKJLHIXIQOLCND-VIFPVBQESA-N	314.342	1.195	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccnn2C2CCCC2)n1	764812895	DJONHQKGZPOXBK-UHFFFAOYSA-N	302.338	1.554	50	20	DDGD	
O=C(CCCc1ccccc1Cl)NNC(=O)[C@H]1CCC(=O)N1	862462809	SVBWRIMGCUMIBG-GFCCVEGCSA-N	323.780	1.089	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2ncccc2C(F)(F)F)co1	760303409	PXBJWSPMUPUJCC-UHFFFAOYSA-N	314.223	1.549	50	20	DDGD	
O=C(CNc1cccc(C(F)(F)F)c1)N1CC[C@H](B(O)O)C1	864231773	SDARRJKZXAXONH-JTQLQIEISA-N	316.088	1.193	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)C2(c3ccccn3)CC2)c1	869385881	UNHVIRYQCHEJFJ-UHFFFAOYSA-N	301.371	1.944	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NN=C1CCC(O)CC1	761765842	HQNIARLNNFOCLI-UHFFFAOYSA-N	307.306	1.381	50	20	DDGD	
Cc1cc(Br)ccc1C=NNC(=O)[C@@H]1CCC(=O)N1	863147350	DEKKCZPWTFPMHO-NSHDSACASA-N	324.178	1.486	50	20	DDGD	
C[C@@H]1CN(C[C@@H](C)C(=O)NN=C2CCC(O)CC2)C[C@@H](C)O1	761777302	IWHCEVJHIWORDA-OSBVZDBCSA-N	311.426	1.139	50	20	DDGD	
Cc1cccc2sc(NNC(=O)NC[C@H]3CNC(=O)C3)nc12	868701930	WGOQLCRSDHOKGM-SECBINFHSA-N	319.390	1.367	50	20	DDGD	
C=CCNC(=S)NNC(=O)C1(c2cccc(C#N)c2)CC1	1116895778	BYGVACVCZXVRRW-UHFFFAOYSA-N	300.387	1.271	50	20	DDGD	
CC(CCc1n[nH]c2ccccc12)=NNC(=O)C[n+]1ccccc1	1116871235	LLLISLZMVIARHA-UHFFFAOYSA-O	322.392	1.975	50	20	DDGD	
CCN(CC)CC(=O)NNC(=S)Nc1ccc(C)cc1C	873758863	YKDNQKVXNASCOJ-UHFFFAOYSA-N	308.451	1.963	50	20	DDGD	
COCCCCC(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874950441	COOLYEMUEZVDBU-UHFFFAOYSA-N	324.450	1.887	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cccc(O[C@@H](C)CC)c1	763429064	DFWZSJYBUNJPID-JTQLQIEISA-N	307.350	1.360	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C2=CCOCC2)cc1OC	769679717	PDDMKKACSLZDLR-UHFFFAOYSA-N	320.345	1.202	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1cc(F)ccc1SC	875329787	IFOWNHMTLQAQQZ-UHFFFAOYSA-N	301.343	1.960	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C[C@H]2CCC(=O)N2)cc1C	873763785	JSKCDCFNNVUZLJ-GFCCVEGCSA-N	320.418	1.290	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2CCCN2C2CC2)c1	873777242	JOZZBKYGJIWBIR-CQSZACIVSA-N	318.446	1.939	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc(COC(C)(C)C)cc1	775666795	KDQAGKXVTGJMIU-UHFFFAOYSA-N	322.409	1.716	50	20	DDGD	
COCCOCC(=O)NN=Cc1cnc([C@H]2CCCO2)s1	872401361	RGFNBXIVFWLNMT-LLVKDONJSA-N	313.379	1.108	50	20	DDGD	
CCn1nncc1CNC(=O)NNc1cc(F)c(F)c(F)c1	875766508	UPLFQIDWPMDMBM-UHFFFAOYSA-N	314.271	1.542	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccc(Br)cn1	876214648	WANZAAFHHPKRJS-UHFFFAOYSA-N	317.143	1.257	50	20	DDGD	
COCc1ccccc1NC(=O)NNc1nccc(OC)n1	775496154	FLONENQKWMHGNL-UHFFFAOYSA-N	303.322	1.780	50	20	DDGD	
COC[C@H](Cc1ccccc1)NC(=O)NN=c1cc[nH]c(C)c1	875335557	GKGZRXDQEZIYGB-INIZCTEOSA-N	314.389	1.696	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1cscc1Cl	873828889	CJXYBXJFUHETJJ-UHFFFAOYSA-N	304.759	1.033	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1ccc(C(C)C)cc1	877922957	IAZYVEJSIZVQRF-UHFFFAOYSA-N	309.366	1.626	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1ccccc1C(=O)OC	779828079	LLFNEDYJXLAZHN-UHFFFAOYSA-N	307.350	1.223	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H]1CCc2c[nH]nc2C1	772866915	OWRIEDTWZQKUEB-JTQLQIEISA-N	300.366	1.571	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@H](C)c1cccc(C#N)c1	775337904	LAKDCRGFYHFHRB-CHWSQXEVSA-N	316.405	1.791	50	20	DDGD	
NC(=O)c1ccc(NC(=O)NNc2ccc([N+](=O)[O-])cc2)cn1	775674328	WGNAWTWIXQSEBO-UHFFFAOYSA-N	316.277	1.237	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](C)Oc1cccc(C(C)=O)c1	887143117	LXABIRFPARFEAB-CYBMUJFWSA-N	316.357	1.607	50	20	DDGD	
Cc1ccc(CCCC(=O)NNC(=O)C2CCOCC2)s1	883064790	OGHJLWFAUKTNFB-UHFFFAOYSA-N	310.419	1.953	50	20	DDGD	
C[C@@H]1CCCN(C(=O)CCNC(=O)NN(C)c2ccccc2)C1	1122491753	ITODIDCHQUEKAN-CQSZACIVSA-N	318.421	1.986	50	20	DDGD	
COCCC(=O)NNc1ccccc1I	882141431	KPMOBUSNOUOVPP-UHFFFAOYSA-N	320.130	1.771	50	20	DDGD	
CC(C)(C)[C@@H]1CCCN(C(=O)NNC(=O)c2cccnn2)C1	883852242	KAPGULSDOZXACF-LLVKDONJSA-N	305.382	1.589	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)NCCc2cccs2)CCCOC1	781309294	HTHHUDSHRVZBPX-AWEZNQCLSA-N	311.407	1.438	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C12CCC(C(=O)OC)(CC1)CC2	887148930	CAOPNJXRZCNYBU-UHFFFAOYSA-N	320.389	1.451	50	20	DDGD	
CNC(=O)N(C)c1ccc(NC(=O)NN(C)CCOC)cc1	881055663	JBDCFIRXUIDQSW-UHFFFAOYSA-N	309.370	1.077	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)[C@H]2CCCCO2)c1C1CC1	880156645	MXSBGLANHUPZBX-GFCCVEGCSA-N	306.366	1.111	50	20	DDGD	
C/C(=C\c1ccc(C)cc1)C(=O)NNC(=O)C1CCOCC1	883070392	OOMVXJJYLZDLRZ-ACCUITESSA-N	302.374	1.972	50	20	DDGD	
Cc1c(NC(=O)C(=O)NNc2ccccc2)cnn1CC(C)C	784770091	YYVJMRHGPHBHFT-UHFFFAOYSA-N	315.377	1.929	50	20	DDGD	
COc1ccccc1NC(=O)C(=O)NNc1ncncc1Cl	782165640	IRYDYOPTGLFYNF-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
C[C@@H](Cc1cccc(O)c1)NS(=O)(=O)CBr	782454122	JFHREWFHSXUVAB-QMMMGPOBSA-N	308.197	1.595	50	20	DDGD	
CO[C@H](C)CN(C)c1nnnn1C[C@@]1(C)C[C@@H]1Br	1120226626	LUJWELOXDWFTES-WCABBAIRSA-N	318.219	1.318	50	20	DDGD	
CC1(C)CC(CNC(=O)NNC(=O)COc2ccccc2O)C1	780873961	UZJJLQNDHRYTQL-UHFFFAOYSA-N	321.377	1.538	50	20	DDGD	
C#CCN1CCN(C(=O)[C@H](Br)C(C)(C)C)CC1	781086118	BAUKCFMZDBSBTK-NSHDSACASA-N	301.228	1.573	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C2(C(C)C)COC2)cc1	891958051	UHJAJAQQWNXIJJ-UHFFFAOYSA-N	305.378	1.227	50	20	DDGD	
CO[C@H](CNC(=O)/C(C#N)=C/c1ccc(O)cc1)C(F)(F)F	787359999	NOZQMUQIOWWTPM-GCZGVDRJSA-N	314.263	1.993	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H]1CN(C)C(=O)c2ccccc21	787576143	DBIMDPUVCYWCGC-CQSZACIVSA-N	310.357	1.703	50	20	DDGD	
CC(C)(C)C(=O)NC1CCC(C(=O)NNC(=O)C2CC2)CC1	788721627	UMFIQNNKYRMXBZ-UHFFFAOYSA-N	309.410	1.265	50	20	DDGD	
COc1ccc(NNC(=O)c2n[nH]c3c2C[C@H](C)CC3)nc1	897496533	NOQUAWZHNQKERF-SECBINFHSA-N	301.350	1.695	50	20	DDGD	
CCC1(C=NNC(=O)CNC(=O)c2ccco2)CCOCC1	781122629	QPGNBBREMZXYKS-UHFFFAOYSA-N	307.350	1.318	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1cc([N+](=O)[O-])c[nH]1	790469365	UHQPUGRXGQHFIB-UHFFFAOYSA-N	309.213	1.727	50	20	DDGD	
COc1ccccc1-n1ncc(C(=O)NNc2cccnn2)c1C	798991378	IOGSZAJUUGYEKZ-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)c1cc([N+](=O)[O-])n[nH]1	796341074	BBNHFJXCHRPSEX-UHFFFAOYSA-N	315.249	1.125	50	20	DDGD	
Cc1ccc(NC(=O)NNc2ncccc2C)cc1-n1cnnn1	792231795	NDWXDUWHFMZWDG-UHFFFAOYSA-N	324.348	1.823	50	20	DDGD	
CON=Cc1ccc(C(=O)NNC(=O)c2cccc(C)n2)cc1	794089973	MMVOTYXGMVUFLL-UHFFFAOYSA-N	312.329	1.445	50	20	DDGD	
COc1cc(C)cnc1C(=O)NNC(=S)N[C@H](C)C1CC1	792604675	XRYVUFKDGYHCIW-SECBINFHSA-N	308.407	1.306	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1)[C@H](C)O	790070473	UAAWAERECZZFSG-JQWIXIFHSA-N	316.361	1.245	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)Nc1cncc(F)c1	799235280	CXHYFEXRWHQOEA-UHFFFAOYSA-N	306.272	1.755	50	20	DDGD	
C#CCN(CC1CC1)C(=O)NNC(=O)c1ccccc1OC	1319544785	IKWCZTVHVRKFAW-UHFFFAOYSA-N	301.346	1.395	50	20	DDGD	
Cc1nc(N2CCOCC2)sc1C=NNC(=O)c1ccc[nH]1	1317703305	HYJBWSXCSVUOCJ-UHFFFAOYSA-N	319.390	1.380	50	20	DDGD	
Cc1nnc(CNC(=O)NNC(=O)Cc2ccc(Cl)cc2)o1	1317870760	FHNOJDAFCBNIDE-UHFFFAOYSA-N	323.740	1.105	50	20	DDGD	
C=CCNC(=S)NNC(=O)CSCc1csc(C)n1	1321805823	YWUAULJEDUNOOF-UHFFFAOYSA-N	316.477	1.366	50	20	DDGD	
CO[C@]1(CNC(=O)NNc2ccc(C(C)(C)C)nn2)CCOC1	1323941208	OOQQGCZLZWRNQJ-HNNXBMFYSA-N	323.397	1.206	50	20	DDGD	
C=CC[C@H](NS(=O)(=O)CC(C)(C)CCl)C(=O)OCC	1329394802	XALVSNLDURPZQO-JTQLQIEISA-N	311.831	1.679	50	20	DDGD	
O=C(NNC(=O)N1CCC(c2ccccc2)CC1)c1cn[nH]c1	1329193329	NDOCXMFMKPIMMC-UHFFFAOYSA-N	313.361	1.644	50	20	DDGD	
Nc1cnnc(NNC(=O)N[C@@H]2CCCc3c[nH]nc32)c1Cl	1324022921	WNMYFIBSZNVLNV-MRVPVSSYSA-N	322.760	1.139	50	20	DDGD	
Cc1nn(Cc2ccccc2)c(Cl)c1C=NNC(=O)CCO	1339927345	ZGJJMXDJEFSTCO-UHFFFAOYSA-N	320.780	1.726	50	20	DDGD	
C[C@@]1(Cn2nnnc2N2CCC=C(F)C2)C[C@H]1Br	1335162745	YCNQMUDYEJILKN-KOLCDFICSA-N	316.178	1.910	50	20	DDGD	
COC(=O)c1coc(C=NNC(=O)CCN2CCC(C)CC2)c1	1254746290	QCPKJNYFVYWRFU-UHFFFAOYSA-N	321.377	1.638	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1ncoc1[C@H]1CCCO1	1251943342	MLPVHPHHFHTNET-SSDOTTSWSA-N	309.713	1.726	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2CCO[C@H](C)C2)cc1	1337058248	VUMFTLKLUZVRAO-ZYHUDNBSSA-N	307.350	1.207	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)NCCC(F)F	1263077848	RHJVIWISAMUYDX-UHFFFAOYSA-N	301.293	1.441	50	20	DDGD	
O=C(NNC(=O)C1CCC1)NC1CCN(c2ccncc2)CC1	1263282531	DHNBJGUEJWGVNC-UHFFFAOYSA-N	317.393	1.181	50	20	DDGD	
CCNS(=O)(=O)[C@@H]1CCN(C(=O)C2CCC(Cl)CC2)C1	1347115486	IJPFRFHNTNGQDJ-HTAVTVPLSA-N	322.858	1.324	50	20	DDGD	
COC(=O)C1(O)CCN(C(=O)C2CCC(Cl)CC2)CC1	1351720204	LPAGRWSFFMTLSP-UHFFFAOYSA-N	303.786	1.311	50	20	DDGD	
CO[C@](C)(C(=O)O)C(=O)OC[C@H](CBr)C1CC1	1604461390	IMMOWMJIUVHYCE-GZMMTYOYSA-N	309.156	1.440	50	20	DDGD	
Cn1c(CNC[C@@]2(C)C[C@@H]2Br)ccc1C(=O)O	1608100793	ATZUCFWJMCAFGA-CMPLNLGQSA-N	301.184	1.986	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2ccnc3[nH]cnc23)cc1	1602128717	RVDPDMXGXSNMRW-UHFFFAOYSA-N	311.301	1.342	50	20	DDGD	
O=C(O)[C@H](C(=O)NNc1ccc([N+](=O)[O-])cc1Cl)C1CC1	1605898459	VFUDDNJZLJLUIO-JTQLQIEISA-N	313.697	1.802	50	20	DDGD	
COc1ccc(C(=O)O)c(OS(=O)(=O)CCCCl)c1	1607211082	RXBXBSUUWKANAV-UHFFFAOYSA-N	308.739	1.731	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@H]1CCn2cncc2C1	1602230622	NCYUFFWOBPJQTK-VIFPVBQESA-N	318.308	1.426	50	20	DDGD	
O=C(O)c1cc(NNC(=O)c2cnn3c2OCCC3)ccc1F	1608856796	QLMFAAPNLROEKC-UHFFFAOYSA-N	320.280	1.260	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1cc(F)c(C(=O)O)c(F)c1	1610700362	QLKFHEHXOVJVEJ-UHFFFAOYSA-N	324.243	1.458	50	20	DDGD	
O=C(O)CSCC(=O)NNC(=O)Nc1ccc(Cl)cc1	1611496508	QTISHIXAPSDXCO-UHFFFAOYSA-N	317.754	1.311	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1cccc(F)c1	1549319396	HSMLGECWDLQWII-HOCLYGCPSA-N	319.380	1.919	50	20	DDGD	
COCCC(C)=NNC(=O)[C@H]1CCCO[C@@H]1c1nccn1C	1549315158	KXCWSDROIQCFCS-STQMWFEESA-N	308.382	1.416	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2CCCCN2)cc1C	1574156703	OUJSSDOLRGSNLA-CYBMUJFWSA-N	306.435	1.763	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2NCC23CCOCC3)cc1Cl	1579723692	IURPMRJHQUKPDQ-CYBMUJFWSA-N	309.797	1.860	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCNC1)c1ncc(Cl)cc1Cl	1580733435	UTSUFVKTWGXQGJ-SSDOTTSWSA-N	317.176	1.149	50	20	DDGD	
COC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(Cl)Cl	1847319497	FMAOTVIINIOBGJ-IUCAKERBSA-N	323.220	1.417	50	20	DDGD	
CC(C)(CCNC(=O)NNC(=O)CCc1ccco1)C(=O)O	1588773559	WSQVSMVOTIWLDB-UHFFFAOYSA-N	311.338	1.044	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccccc2C(=O)O)c1	1598999123	ABTKJOXZDPFGNA-UHFFFAOYSA-N	314.297	1.928	50	20	DDGD	
CC(C)(CCl)C(=O)N1CCCC12CN(C(=O)c1cnc[nH]1)C2	1841225565	GNGZAUXAALTWMQ-UHFFFAOYSA-N	324.812	1.492	50	20	DDGD	
O=C(CC1CCC1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843367473	FTGNLWYVHSMTJA-LBPRGKRZSA-N	302.777	1.914	50	20	DDGD	
CN1CCCC[C@@H](CNC(=O)NNc2ncccc2C(=O)O)C1	1593780559	HKAQSQHOJWQJOJ-NSHDSACASA-N	321.381	1.138	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1ncc[nH]1)C2	1845163725	OTMJNTIXBZHPNL-SNVBAGLBSA-N	310.785	1.244	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@](C)(CC(=O)O)c1ccncc1	1596862118	MZIJUDWKGGSKNX-WOLCWHLNSA-N	303.318	1.332	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1nc2ccc(C(=O)O)cc2[nH]1	1596863189	KYILJILGIXMENU-CSKARUKUSA-N	314.301	1.321	50	20	DDGD	
CN(C)c1ccc(NC(=O)NN=Cc2cc(C(=O)O)no2)cc1	1598324934	ACUGKOTUMNFWJR-UHFFFAOYSA-N	317.305	1.594	50	20	DDGD	
C[C@@H]1CNc2c(C(=O)NNc3cccc(C(=O)O)c3)cnn2C1	1594586868	KTIBPUZPIYHTMB-SECBINFHSA-N	315.333	1.400	50	20	DDGD	
O=C(NNc1cccc(C(F)(F)F)n1)[C@H]1CC[C@H]1C(=O)O	1594780545	WPHFDASQDJOPDA-NKWVEPMBSA-N	303.240	1.654	50	20	DDGD	
COc1ncccc1C(=O)NNc1ccc(C(=O)O)c(F)c1	1599736825	OLQMCQJZOXUIOV-UHFFFAOYSA-N	305.265	1.684	50	20	DDGD	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ccc(F)c(C(=O)O)c1	1598895756	LIGNZAWSVPEZLF-DTWKUNHWSA-N	310.281	1.166	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@](C)(C(=O)O)c2ccccc2)cn1	1594535756	AHTFMSQEPKYRLV-OLXGIWCBSA-N	324.340	1.443	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NC[C@]2(C)C[C@@H]2Br)O[C@H]1C(=O)O	1599875242	QJGINDWUKCERDZ-HHKWLRISSA-N	320.183	1.154	50	20	DDGD	
O=C(O)c1cc(F)c(C=NNC(=O)c2cnsn2)c(F)c1	1776104911	GJRLVSCCHCYDHM-UHFFFAOYSA-N	312.257	1.278	50	20	DDGD	
O=C(O)CCc1ccc(C=NNC(=O)c2cccc(F)n2)o1	1776094399	QTIWVKCNKXIUNV-UHFFFAOYSA-N	305.265	1.595	50	20	DDGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C(=O)O)nn1C	1776118236	XCJKCGJZGXUBCU-XFFZJAGNSA-N	310.313	1.972	50	20	DDGD	
C[C@@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl	1796810263	RXNMUUJFCHAQLM-HOTMZDKISA-N	308.806	1.477	50	20	DDGD	
CCn1cc(C=NNC(=O)c2ccc(OC)c(OC)c2)cn1	17030778	NGYGNOBHTATKNO-UHFFFAOYSA-N	302.334	1.684	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1cnn(-c2ccccc2)n1	17574738	IDQUYPZRZNBNLN-UHFFFAOYSA-N	323.312	1.048	50	20	DDGD	
Cc1ccc([C@H](C)CNC(=O)NNC(=O)[C@@H]2CCCO2)cc1	162290962	BRWQGYXBDNCISA-OCCSQVGLSA-N	305.378	1.608	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cccnc2)cnn1CC(C)C	160013047	WHSNDJNJLUXDFF-UHFFFAOYSA-N	301.350	1.317	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccn(C3CCCC3)n2)[nH]n1	151226749	XYINBCZKWXHBLV-UHFFFAOYSA-N	302.338	1.105	50	20	DDGD	
C[C@H](CBr)CN(C)CCCc1n[nH]c(N)c1C#N	152741212	UGFJSZOZEBWYFX-SECBINFHSA-N	314.231	1.759	50	20	DDGD	
CC(C)n1cc(S(=O)(=O)NNC(=O)c2ccccc2)cn1	157536092	FAVPJUASLZFTEO-UHFFFAOYSA-N	308.363	1.087	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccncc1)c1c(F)cccc1F	154039300	FLVFWTUYVNDHIP-VIFPVBQESA-N	305.284	1.925	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@H]1CCOC2(CCCCC2)C1	157783518	VLKHIRAURCIPOB-LBPRGKRZSA-N	320.393	1.841	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C2(O)CCSCC2)cc1	154525657	IWPXEMTTZTUEKC-UHFFFAOYSA-N	308.403	1.268	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)NC2CC=CC2)nc2ccccc21	154977555	QORIGNBECSWLHY-UHFFFAOYSA-N	313.361	1.165	50	20	DDGD	
Cc1ccsc1CCCC(=O)NNC(=O)C(=O)NC(C)C	159867401	HVWZHKNGARLUNG-UHFFFAOYSA-N	311.407	1.051	50	20	DDGD	
O=S(=O)(NC[C@@H](O)C1CCC1)c1ccc(CCCl)cc1	315831228	MGNMBIZIYGXSIB-CQSZACIVSA-N	317.838	1.907	50	20	DDGD	
CN(C[C@@H]1CCCCO1)C(=O)NNC(=O)c1cccc(C#N)c1	103517210	TYQNPVOKPBIJMD-AWEZNQCLSA-N	316.361	1.414	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cc2c(s1)CCC2	103425347	CLEPVVOIAWGCOA-UHFFFAOYSA-N	301.371	1.636	50	20	DDGD	
O=C(NCc1nccn1C(F)F)NNc1ccc(Cl)nn1	170692603	GLKGSWRQPRWHCU-UHFFFAOYSA-N	317.687	1.548	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNC(=O)c1ccc(Cl)nc1	104273714	MVKJNLBBYIKVJP-LLVKDONJSA-N	310.785	1.370	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1ccc(-n2cnnn2)cc1	58063356	BZNFPZZSUXRLCH-UHFFFAOYSA-N	314.349	1.004	50	20	DDGD	
CC[C@@H](CC(=O)NNC(=O)CNC(=O)c1ccco1)C(C)C	104368299	LIKJYVWQWOJHHJ-NSHDSACASA-N	309.366	1.229	50	20	DDGD	
NC(=O)COc1ccc(C(=O)NNc2ccc(Cl)cc2)cc1	107357603	ZBELBRDGGIBQHO-UHFFFAOYSA-N	319.748	1.961	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNC(=O)CCCc1ccccc1	68051837	XQYJUXKKUIBFCW-AWEZNQCLSA-N	322.405	1.598	50	20	DDGD	
CO[C@@]1(C)C[C@@H](NC(=O)NNc2ccc(Cl)nn2)C1(C)C	173723678	RFUSYHKOHHSINZ-OQPBUACISA-N	313.789	1.960	50	20	DDGD	
Cc1cc(NNC(=O)CCCNC(=O)C(C)(C)C)nc(C)n1	172375460	UKMJOACZJWEVOB-UHFFFAOYSA-N	307.398	1.479	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CC1(O)CCCC1	118760163	GWZLGJPJDXARFM-LLVKDONJSA-N	324.352	1.436	50	20	DDGD	
COCc1cccc(S(=O)(=O)NNC(=O)c2ccc(C)o2)c1	176687532	ZRCMIMJRCORFSM-UHFFFAOYSA-N	324.358	1.358	50	20	DDGD	
Cc1ccoc1C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	112825143	HLMCUUJVWODKAM-UHFFFAOYSA-N	310.313	1.849	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)c2cnn(C)c2)c(C)c1	117962429	MIPCQOZPQNCAMQ-UHFFFAOYSA-N	315.377	1.224	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC[C@H]1CCCN1C)c1ccccc1	111841682	JXCYMIOSISUKQQ-HUUCEWRRSA-N	318.421	1.605	50	20	DDGD	
COc1ccccc1C(=O)NNS(=O)(=O)c1cccs1	67438151	ZYPGLMVLHQHWSY-UHFFFAOYSA-N	312.372	1.380	50	20	DDGD	
C[C@@H](Oc1cccc(F)c1)C(=O)NNC(=O)c1cccnc1	29055501	PTOIRVOSRSFRII-SNVBAGLBSA-N	303.293	1.449	50	20	DDGD	
CC[C@@H]1CN(C(=O)NNC(=O)c2ccc(C#N)cc2)CCS1	176077217	UUGODBOFQBBAKI-CYBMUJFWSA-N	318.402	1.740	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)NCc1ccco1)N1CCCCCC1	174297055	VGRSMKJOPRMHCY-LBPRGKRZSA-N	308.382	1.375	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)c2ccc(C#N)cn2)cc1	173406256	HXNBXKWWXJMTOD-UHFFFAOYSA-N	324.344	1.486	50	20	DDGD	
CC[C@H](OC)C(=O)NNC(=O)Cc1cccc2ccccc12	65722047	GDCPOKAWEPVUTL-HNNXBMFYSA-N	300.358	1.955	50	20	DDGD	
Cc1c(F)cccc1S(=O)(=O)NNC(=O)c1ccccc1	174649249	WZQLRLDHWYFELY-UHFFFAOYSA-N	308.334	1.757	50	20	DDGD	
O=C(NCc1ccccn1)NNC(=O)c1cc2ccccc2o1	175497908	PAYYWXURTVKHKK-UHFFFAOYSA-N	310.313	1.972	50	20	DDGD	
CC1(C)CC(NC(=O)NNC(=O)c2ccc[nH]2)CC(C)(C)N1	124092111	OSPCCXPFRDODNN-UHFFFAOYSA-N	307.398	1.268	50	20	DDGD	
CC(C)c1noc(CCC(=O)NNC(=O)NCC(F)(F)F)n1	60411445	VYGYVBHHVJHLJL-UHFFFAOYSA-N	323.275	1.018	50	20	DDGD	
CCCc1ncc(C(=O)NNC(=O)Cn2nc(C)cc2C)s1	172942471	XHJGHSQVRWSYMN-UHFFFAOYSA-N	321.406	1.370	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1ccc(-n2cccn2)nc1	185213417	MXLQYGRPJHILOB-UHFFFAOYSA-N	322.328	1.349	50	20	DDGD	
CC(=O)N[C@H](C)C(=O)NNc1ccc(OCC(F)(F)F)cc1	124641975	MOIKQUCNRMEVEI-MRVPVSSYSA-N	319.283	1.595	50	20	DDGD	
COc1ccc([C@@H](C)CC(=O)NNC(=O)Cc2cc[nH]n2)cc1	186085100	SBUDWKFUUIBZSG-NSHDSACASA-N	316.361	1.302	50	20	DDGD	
CC(C)Oc1ccccc1CC(=O)NNC(=O)Cc1cc[nH]n1	186130530	QNDOPVPHRXUVAG-UHFFFAOYSA-N	316.361	1.130	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2c(Cl)cc(F)cc2Cl)N1	126230419	BPNZJBQALQHBEJ-MRVPVSSYSA-N	306.124	1.854	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNC(=O)Cn1ccc2ccccc21	189715800	HMCAOQXLUFOWAE-UHFFFAOYSA-N	310.357	1.749	50	20	DDGD	
CN(C)CC(=O)NNC(=O)CSc1nccc2ccccc12	120052078	VYJYPTCTZSQGNA-UHFFFAOYSA-N	318.402	1.036	50	20	DDGD	
COCc1cccc(NC(=O)NNC(=O)c2cccnc2)c1	183623528	FCYGXRDVXCCMDR-UHFFFAOYSA-N	300.318	1.695	50	20	DDGD	
CCC(CC)n1nc(C)cc1C(=O)NNC(=O)c1cc(C)n[nH]1	181726777	ZICFDSYRBPXYJJ-UHFFFAOYSA-N	318.381	1.659	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cccc(-c2cc[nH]n2)c1	185968796	CFKOJDJRPHJPII-UHFFFAOYSA-N	303.322	1.266	50	20	DDGD	
CC(=O)N[C@H](C)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	125154385	WOPWYJRCBSZURS-ZCFIWIBFSA-N	300.702	1.216	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2sccc2-n2cnnn2)c1	127667219	MJNHOQUBWMOZTN-UHFFFAOYSA-N	318.337	1.928	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccnc(Cl)c2)cc1	123390530	JVEHTGHBKJPZIQ-UHFFFAOYSA-N	319.748	1.883	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2cc(F)ccc2O)c1	181116022	OFPMTSOGUXYIHR-UHFFFAOYSA-N	324.333	1.692	50	20	DDGD	
O=C(NCCCc1ccccc1)NNC(=O)c1ccccc1O	42997958	HOJSHYYIRULGBA-UHFFFAOYSA-N	313.357	1.969	50	20	DDGD	
Cc1ccncc1NC(=O)C(=O)NNc1ccc(F)cc1F	131287110	OYVURECYRBMAII-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
Cc1noc(CCC(=O)NNc2ncnc3ccsc23)n1	132920093	PUYUODJUJPJHPB-UHFFFAOYSA-N	304.335	1.459	50	20	DDGD	
CCCCOCCCNC(=O)NNc1nc2ccccn2n1	190339731	YNNONKFUNATJTF-UHFFFAOYSA-N	306.370	1.562	50	20	DDGD	
CCc1nn(C)c(CC)c1CC(=O)NNC(=O)CC1CCCC1	192236691	BAKSQVBYGVMBPE-UHFFFAOYSA-N	320.437	1.815	50	20	DDGD	
CN(C)C[C@@](C)(O)CNS(=O)(=O)c1ccc(CCl)cc1	379944195	CRVKAAIAJGHUII-ZDUSSCGKSA-N	320.842	1.016	50	20	DDGD	
CCCCc1ccc(CC(=O)NNC(=O)N2CCOCC2)cc1	194901562	FHXDTYLASVVFMA-UHFFFAOYSA-N	319.405	1.645	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CSCc2cccnc2)o1	84380396	USKAQFWXPNKZRD-UHFFFAOYSA-N	305.359	1.677	50	20	DDGD	
CC(C)NC(=O)Nc1cccc(C(=O)NNc2ncccn2)c1	48151319	YKNKKNVLAXPHHA-UHFFFAOYSA-N	314.349	1.763	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)/C=C/c1ccc(C(N)=O)cc1	81655749	ZARNETAHHJKSSK-UXBLZVDNSA-N	303.362	1.382	50	20	DDGD	
CCCN1CCN(CCI)C(C)(C)C1=O	191087449	KZQVTUSXUIEKEW-UHFFFAOYSA-N	324.206	1.754	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cn(C)nc2C(C)(C)C)o1	92246332	GCYFXKCUBOLNCF-UHFFFAOYSA-N	304.350	1.694	50	20	DDGD	
CON=Cc1ccc(C(=O)NNC(=O)c2ccc(C)o2)cc1	254945005	ZVKMMYTWQZBJTP-UHFFFAOYSA-N	301.302	1.643	50	20	DDGD	
Cc1ccc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)cc1	254835462	KSYDOJLRJULGDM-UHFFFAOYSA-N	306.329	1.735	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C(=O)C(C)(C)C	264968666	CQXBGTRXHIILQA-UHFFFAOYSA-N	322.361	1.227	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@@H](CCO)CC(C)C	268003225	NJYYYWOURAMWST-AWEZNQCLSA-N	321.421	1.984	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(OC(C)C)nc1	274023539	CBWBCZQISVQNKX-UHFFFAOYSA-N	303.322	1.424	50	20	DDGD	
CC1(C)CCC[C@@H]1C(=O)NNC(=O)COc1ccc(C#N)cc1	274586490	GQGJJZLRADZEGF-CQSZACIVSA-N	315.373	1.911	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C2CCSCC2)nc1C	272218889	TUCAWGYAOMZONS-UHFFFAOYSA-N	324.406	1.548	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2CCCCS2)c1	272988443	QEKUAUGSCYQURY-ZDUSSCGKSA-N	307.419	1.799	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@@H]1CC12CCOCC2	376523934	YGZZHRWEWCENMC-LBPRGKRZSA-N	302.378	2.004	50	20	DDGD	
COc1cc(OC)c(NC(=O)NNC(=O)CC#N)cc1Cl	283703966	RLQWMPXDEZZQCG-UHFFFAOYSA-N	312.713	1.424	50	20	DDGD	
O=C(COCC(F)(F)F)NNc1nccnc1C1CCC1	287244284	QHWXZUVACDJHNG-UHFFFAOYSA-N	304.272	1.766	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)C1CCN(C2CC2)CC1	282795310	GMQJQYLYONRRHW-UHFFFAOYSA-N	316.405	1.120	50	20	DDGD	
C[C@@H](OC[C@H]1CCCO1)C(=O)NNc1nccnc1C1CCC1	287184816	LUVMMQRFBXAQGS-DGCLKSJQSA-N	320.393	1.771	50	20	DDGD	
COCc1ccccc1NC(=O)C(=O)NCCSSC	285070892	FWJAUOHNHFKRJS-UHFFFAOYSA-N	314.432	1.899	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2C[C@]23CCOC3)cc1	374656881	UJJXHBGBIRMBNZ-WFASDCNBSA-N	305.334	1.275	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@]2(CCNC2)C1	289303850	SKDGCSQSYKTQJU-MRXNPFEDSA-N	324.856	1.954	50	20	DDGD	
CC(C)(Cc1nc2ccccc2[nH]1)C(=O)NNC(=O)C1CC1	281617433	XOYXUPDRNUZPPE-UHFFFAOYSA-N	300.362	1.689	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)Cc1ccc2ccccc2c1)C1CC1	280490090	HAOYRMRWSCBXNC-QGZVFWFLSA-N	312.369	1.955	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1	288464884	KELFMHKRXVAZQH-OAHLLOKOSA-N	319.405	1.148	50	20	DDGD	
O=C(NCCC(=O)N1CCCCCC1)NNc1ncccc1F	288387421	ZYYBBKSWLOLFDI-UHFFFAOYSA-N	323.372	1.640	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NN=c1sc2ccccc2n1C	807926122	XYAQNHXDJSGNFI-JTQLQIEISA-N	321.402	1.761	50	20	DDGD	
CC(C)(C)c1cnc(CCC(=O)NNc2ncncc2F)o1	294589157	MLGVWHUGODDEFH-UHFFFAOYSA-N	307.329	1.977	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cc(OC)ccn2)cc1	802056194	DFQWBYNSPQXGKH-UHFFFAOYSA-N	316.317	1.565	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CC1CC1)[C@H]1OCCc2sccc21	294005644	AYQACAYZYJMBGA-LKFCYVNXSA-N	308.403	1.946	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802097849	BIWLYSQQULLHFH-IGJMFERPSA-N	321.333	1.382	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1c(F)cc(F)cc1F	295349427	INUKFLCFZYMZHB-SNVBAGLBSA-N	302.252	1.434	50	20	DDGD	
CC[C@H](C)CONC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	291795351	PHLFEFOMCFDNDS-VIFPVBQESA-N	310.310	1.517	50	20	DDGD	
COc1cc(C=O)ccc1OCCC(=O)NNC(=O)CC1CC1	294330290	YVSUQOYWWULRBY-UHFFFAOYSA-N	320.345	1.224	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1ccccc1Cn1cncn1	804767559	AJNGAAMKHRMHMO-UHFFFAOYSA-N	312.308	1.617	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)[C@@H]1OC[C@H]2COCC[C@@H]21	290308866	CTTDRYONEZLWKX-DVOMOZLQSA-N	313.357	1.729	50	20	DDGD	
C[C@@](O)(CSc1cccc(F)c1)C(=O)NNc1cnccn1	803118837	GCEGUMFABGHOOQ-CQSZACIVSA-N	322.365	1.602	50	20	DDGD	
CSc1ccc(NC(=O)C(=O)NNc2cccc(F)n2)cn1	807391312	MOLBALHXCAISKM-UHFFFAOYSA-N	321.337	1.419	50	20	DDGD	
C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NNc1ncc(F)cc1F	297756214	CFYGIMKVLHRLSZ-QPUJVOFHSA-N	311.336	1.469	50	20	DDGD	
CC(C)NC(=O)CN(C)CC(=O)OC[C@H](C)CBr	803696497	PBUYRWFOILFJRA-SNVBAGLBSA-N	323.231	1.017	50	20	DDGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cn(C)c(=O)n(C)c2=O)cc1C	809159883	YNPLZKYNTGIFPG-RIYZIHGNSA-N	323.352	1.491	50	20	DDGD	
CCn1cc(CNC(=O)NNc2ncnc3ccsc23)cn1	805823428	ZEPWSVBMVQOBCE-UHFFFAOYSA-N	317.378	1.734	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@H]2C[C@H]2OCC)cc1OC	298679347	SMISOPPXEJWDPZ-WCQYABFASA-N	322.361	1.280	50	20	DDGD	
COCC(C)(C)CNC(=O)NNC(=O)COc1ccc(C)cc1	291667482	AZNUBQCAMSOMEA-UHFFFAOYSA-N	323.393	1.377	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)CCc1ccccc1O)C1CC1	291662559	JKHWDMSTKFLCMA-MRXNPFEDSA-N	306.362	1.287	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	810282432	WOXSSACDLSWPMK-UHFFFAOYSA-N	311.301	1.918	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccccc1NCc1cccnc1	816769954	DHZAXINNRQXRED-UHFFFAOYSA-N	323.360	1.579	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2cn(C)nc2O)c(C)c1	814215130	KWLMYSDSYKQGHQ-UHFFFAOYSA-N	301.350	1.305	50	20	DDGD	
CCCCN(C)C[C@@H](C)NC(=O)NNC(=O)CC(C)(C)C	811929924	NQLUSSYJLXKTQR-GFCCVEGCSA-N	300.447	1.873	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H](C)C(C)(F)F	814800142	LFYSGDZKRCRQOJ-QMMMGPOBSA-N	310.304	1.695	50	20	DDGD	
O=C(CCc1ncccn1)NNC(=O)c1c[nH]c2ccccc12	812453056	PJQWLHSGEYXVQL-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
O=C(NNc1ccccc1F)c1cc(Cn2cccn2)on1	815851262	XTUZQQTUYNWASC-UHFFFAOYSA-N	301.281	1.815	50	20	DDGD	
Cc1nnsc1C=NNC(=O)c1nnc(-c2ccccc2)o1	814219095	IWLLTYUJQUSVRY-UHFFFAOYSA-N	314.330	1.660	50	20	DDGD	
COCCCNC(=O)NN=C1CCN(Cc2ccccc2)[C@H]1C	811639562	CLUYOMLWQOLNTA-AWEZNQCLSA-N	318.421	1.973	50	20	DDGD	
COCCN1[C@H]2CC[C@H]1CC(=NNC(=O)c1ccc(C)o1)C2	814868411	RCNZUBXUDXGBAR-KBPBESRZSA-N	305.378	1.947	50	20	DDGD	
CS(=O)(=O)Nc1ccc(C(=O)NCCCSC#N)cc1	816539258	YIPXCHXXIYFAQF-UHFFFAOYSA-N	313.404	1.392	50	20	DDGD	
Cn1ccnc(NNC(=O)c2cc(O)c3ccccc3c2)c1=O	810471191	YXLDIYPWADAKLY-UHFFFAOYSA-N	310.313	1.396	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1c(Cl)nc2ccccn12	815001945	FLUIWXQKYWDGAF-UHFFFAOYSA-N	314.736	1.960	50	20	DDGD	
CCCN(CCC)C(=O)CCC(=O)NNC(=O)CC(C)(C)C	729533244	ARPPTRQNVVANJT-UHFFFAOYSA-N	313.442	1.999	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@@H]1C[C@@H](c2ccccc2)OC1=O	813424054	FKOXGFWNZWZUPN-STQMWFEESA-N	317.345	1.031	50	20	DDGD	
CC(Cc1cccs1)=NNC(=O)Cc1cc(O)nc(S)n1	729635369	QAMBPIVSOZRZAD-UHFFFAOYSA-N	322.415	1.810	50	20	DDGD	
Cn1cccc1CNC(=O)NNc1cccc(-c2nn[nH]n2)c1	822693932	OPPSACWXWWEKTL-UHFFFAOYSA-N	312.337	1.032	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H]1C[C@@H]1c1cc(OC)ccc1OC	823879209	IDQBDILUAQPKLK-TZMCWYRMSA-N	308.378	1.153	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	823873635	FKYQVHQGMICQCV-VHSXEESVSA-N	302.296	1.553	50	20	DDGD	
CC[C@@H]1[C@H](C(=O)NNC(=O)OC)CCN1C(=O)OC(C)(C)C	496599104	GRJBUYCFFZQFMA-NXEZZACHSA-N	315.370	1.409	50	20	DDGD	
CN(C)C(=O)NNC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C	495858849	ZLHVOAVWUMLUMK-JTQLQIEISA-N	314.386	1.078	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1CCCC(=NNC(=O)C(C)(C)O)C1	496171182	OVZOSESTZNFJLW-SNVBAGLBSA-N	313.398	1.697	50	20	DDGD	
COc1nccnc1NNC(=O)c1cccc2c1CCOC2	822872484	YDRPBPZXLXJGQO-UHFFFAOYSA-N	300.318	1.315	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CSC2CC2)cc1OC	822190180	YTVVXGOMMUJYJL-UHFFFAOYSA-N	310.375	1.360	50	20	DDGD	
COc1cc([C@@H](C)NCc2ccccc2B(O)O)ccc1F	585032483	VNIYDMUCMYJCIB-LLVKDONJSA-N	303.142	1.365	50	20	DDGD	
CCN(CC)C(=O)c1ccc(C(=O)NNC(=O)C(C)C)cc1	729300278	QFYHGAKDFBBPQS-UHFFFAOYSA-N	305.378	1.586	50	20	DDGD	
C[C@@]1(c2cccs2)C[C@H]1CNCc1ccccc1B(O)O	585024570	ZAFMMUYJWMQAKK-XJKSGUPXSA-N	301.220	1.495	50	20	DDGD	
COC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)CC1CCCC1	496596136	ODAPLBIADYOSFB-LBPRGKRZSA-N	313.398	1.485	50	20	DDGD	
CC(C)Cc1ccc(C(=O)NNC(=O)c2ncccn2)s1	822911423	MHSBOBHCZGFQAH-UHFFFAOYSA-N	304.375	1.811	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)[C@H]2CCO[C@H]2C)c(F)c1	905485341	WDEWATCPZAHLFD-CABZTGNLSA-N	308.309	1.487	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C(C)(C)F)cc1F	822648619	DIGTWHYPWGSFQA-UHFFFAOYSA-N	303.334	1.900	50	20	DDGD	
CCCCS(=O)(=O)CC(=O)NN(C)C(=O)OC(C)(C)C	822508428	YTXRNPCJEIESJO-UHFFFAOYSA-N	308.400	1.099	50	20	DDGD	
C[C@]1(C(=O)N2CCCC3(C2)OCCO3)C[C@H]1Br	907077048	DZITYRUDDCMKSK-KOLCDFICSA-N	304.184	1.525	50	20	DDGD	
C#CCCN1CCC(NC(=O)[C@@]2(C)C[C@@H]2Br)CC1	906775454	SRAOLIBLIPHNOV-JSGCOSHPSA-N	313.239	1.764	50	20	DDGD	
COc1c(C)cnc(CNC(=O)NNC(=O)C2CCC2)c1C	732245312	YIDOODYTESESBK-UHFFFAOYSA-N	306.366	1.338	50	20	DDGD	
CC(CCCOc1ccccc1C(N)=O)=NNC(=O)N(C)C	731926515	IBJZJGLSTOYRMX-UHFFFAOYSA-N	306.366	1.592	50	20	DDGD	
Cc1sc(CNC(=O)c2cccc(B(O)O)c2)nc1C(C)C	584945530	JLMLMPIUNMQLBE-UHFFFAOYSA-N	318.207	1.185	50	20	DDGD	
CCC(=O)[C@@H]1CCCCN1C(=O)/C(C#N)=C\c1cnn(C)c1	491104272	NHRMZSZAWVMVCA-MQJVFOOVSA-N	300.362	1.687	50	20	DDGD	
COc1ccnc(C(=O)NN=c2sc3ccccc3n2C)c1	734769634	QHALGLNZXBHBKQ-UHFFFAOYSA-N	314.370	1.889	50	20	DDGD	
CC(C)N(Cc1ccco1)C(=O)c1ccc(B(O)O)c(F)c1	584938480	GZKLHXJGMSCUKL-UHFFFAOYSA-N	305.114	1.149	50	20	DDGD	
Cc1nnc(CC(=O)NNc2cccc([N+](=O)[O-])c2C)s1	830810394	OFWKHRYUAOZSLQ-UHFFFAOYSA-N	307.335	1.749	50	20	DDGD	
Cc1nc(-c2ccc(C(=O)N3CC[C@@H](B(O)O)C3)cc2)cs1	585063978	ATUDUWIRUNPMRR-CYBMUJFWSA-N	316.191	1.807	50	20	DDGD	
C#CCCCC(=O)NN=Cc1ccc(O[C@H](C)C(=O)O)cc1	901325521	MYVYGJJJZMDGJU-GFCCVEGCSA-N	302.330	1.792	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCc3c(F)cccc32)c(F)c1	585019229	GQKGENQKWDFTHF-INIZCTEOSA-N	303.117	1.422	50	20	DDGD	
C[C@H](N)C[C@@H](C)NC(=O)NNC(=O)c1ccc(Cl)cc1F	831212130	LYHJQVQFTYREGX-JGVFFNPUSA-N	316.764	1.549	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H]2CCOC[C@@H]2OCC)cc1	838553077	RKDFUKXEBPYVCV-CABCVRRESA-N	323.393	1.905	50	20	DDGD	
Cc1nn(C)c(C)c1CNC(=O)[C@@]1(C)C[C@H]1Br	906843825	HAOMJCCQQQNBJU-PWSUYJOCSA-N	300.200	1.827	50	20	DDGD	
O=C(O)NCCC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	739938220	ORWFDMUJITXHDU-UHFFFAOYSA-N	302.674	1.349	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNC(=O)Cc1ccccc1C	839706029	LHCQKIOJCYCJHO-CYBMUJFWSA-N	306.362	1.274	50	20	DDGD	
CC(C)CNC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1cnn(C)c1	837970223	ZWCOZTWWZKTIDE-LEBPBNDJSA-N	304.350	1.031	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)COC(C)(C)CC	839734073	NGLBLLYKRPZCRZ-UHFFFAOYSA-N	304.387	1.128	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2CCO[C@H](C)C2)ccc1F	837035703	GKPPGZBKNKRVMN-NXEZZACHSA-N	310.325	1.871	50	20	DDGD	
COCC1(C(=O)NNc2ccc(C(=O)OC)cn2)CCCC1	837498320	UBNQEKPYNUHPLS-UHFFFAOYSA-N	307.350	1.518	50	20	DDGD	
C[C@@H](c1ccccc1)N(C(=O)c1ccc(B(O)O)cc1)C1CC1	584989702	SXMNXSMRLZMRDQ-ZDUSSCGKSA-N	309.174	1.732	50	20	DDGD	
Cc1cnnn1-c1ccc(NC(=O)NNC(=O)C2CC2)cc1	831993248	ROIBNAFSXLSGBV-UHFFFAOYSA-N	300.322	1.138	50	20	DDGD	
CN1CCO[C@@H](C(=O)NNc2cccc(Cl)c2Cl)C1	838349424	QWSIBHIZDSIYAH-SNVBAGLBSA-N	304.177	1.767	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H](C(=O)OC(C)(C)C)C1CCCC1	910140221	XJHMFROGTNPAKO-AAEUAGOBSA-N	314.426	1.478	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H](C)CSC)c1F	838480281	DRSWPQJGDOVTKX-MRVPVSSYSA-N	315.370	1.990	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1c[nH]c2ccccc12	916362051	IBDDNDVLFYXPAA-ZDUSSCGKSA-N	314.389	1.586	50	20	DDGD	
Cc1cccc2c1CC[C@H]2NC(=O)NNC(=O)[C@@H]1CCCCO1	838318061	MMKWRISHJADCAD-CABCVRRESA-N	317.389	1.882	50	20	DDGD	
CCC(=NNC(=O)c1cc(OC)cc(OC)c1)c1cnn(C)c1	741804561	CGDQXUWWTIBKAX-UHFFFAOYSA-N	316.361	1.981	50	20	DDGD	
CC(C)NC(=O)CCNC(=O)NNc1cc(F)ccc1F	914003127	CKARWJBFYDWHMA-UHFFFAOYSA-N	300.309	1.506	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NC[C@@H]1CCCNC1=O	840331698	MSDMCDJQNAXHML-OXBCTQFSSA-N	301.321	1.375	50	20	DDGD	
COCC1(C(=O)NNc2ncc(Br)cn2)CCC1	848322243	VCAWNRVSPCDCBH-UHFFFAOYSA-N	315.171	1.499	50	20	DDGD	
Cc1ccc(/C=C(/C#N)C(=O)OCCCS(N)(=O)=O)cc1	744502781	UDUVCNMFCHEIBJ-LCYFTJDESA-N	308.359	1.124	50	20	DDGD	
C[C@H]1CN(CCNC(=O)NNc2cc(F)ccc2F)CCO1	915826968	GHTNBEMCCYANDJ-JTQLQIEISA-N	314.336	1.312	50	20	DDGD	
Cc1ccc2c(c1)CCC2=NNC(=O)Cc1cc(O)nc(O)n1	743445886	HXVNTPFUHLAMER-UHFFFAOYSA-N	312.329	1.205	50	20	DDGD	
COCc1ccc(CNC(=O)NNC(=O)C2CCCC2)cc1	916424278	CYAILYCJGANACJ-UHFFFAOYSA-N	305.378	1.854	50	20	DDGD	
COc1ccc(C(=O)NN(C)C[C@H](C)O)c(OCC2CC2)c1	910152158	JDAUKGKYVUBEHB-NSHDSACASA-N	308.378	1.441	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCC1CCNCC1)c1ccccc1	841924121	UGUMDKCVCRYHFU-UHFFFAOYSA-N	318.421	1.294	50	20	DDGD	
CCn1nncc1C=NNC(=O)[C@H](C)Oc1ccc(F)cc1	841612125	YYBGYYCJYGBCMG-JTQLQIEISA-N	305.313	1.355	50	20	DDGD	
Cc1cc(C)n([C@H](C)CC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n1	843640995	AXAJMRFQYFFVSV-JHJVBQTASA-N	308.382	1.023	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1ncc(Br)s1	842548660	AXUGTGMQKAJNAW-RNFRBKRXSA-N	318.196	1.781	50	20	DDGD	
CO[C@@H](CC(=O)NNC(=O)c1cccc(C#N)c1)C(F)(F)F	844379215	NANXCEYISCBCFC-JTQLQIEISA-N	315.251	1.287	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C(F)(F)c1ccc(F)cc1	843646963	LEKMOTQONSBQLT-KWQFWETISA-N	316.279	1.490	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNC(=S)NCC2CCC2)s1	912100235	ANVLDEUFYOOFKB-UHFFFAOYSA-N	312.464	1.598	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CN(CC#N)C2CC2)cc1C	744391187	RPMYHKZGZJHIAO-UHFFFAOYSA-N	320.418	1.368	50	20	DDGD	
Cc1ccccc1OCCCC(=O)NNC(=O)[C@H]1CCO[C@H]1C	843643410	MJBKCUDPINLHST-KBPBESRZSA-N	320.389	1.726	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc2c(O)nc(S)nc2c1	917180706	NTCXDSVNWSZRJO-UHFFFAOYSA-N	320.374	1.431	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)Cc2cc(C)no2)c1	845080298	OHBOXYANWGIYIU-UHFFFAOYSA-N	319.317	1.004	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cc(-c2ccccc2)ns1	749236397	KDDQRDLNFNHGLX-UHFFFAOYSA-N	304.375	1.133	50	20	DDGD	
C[C@@H](c1ccccc1)[C@](C)(O)C(=O)NNC(=O)c1ccccn1	747348458	LMGMMMKPGOAONQ-SJCJKPOMSA-N	313.357	1.397	50	20	DDGD	
O=C(NCC[C@@]1(O)CCCOC1)NNc1c(F)cccc1F	845714464	FDEBPCMDPVPCOU-AWEZNQCLSA-N	315.320	1.523	50	20	DDGD	
Cc1cc(C)c(NNC(=O)C2CCS(=O)(=O)CC2)c(C)c1	743762416	UUANUUSFICPQHS-UHFFFAOYSA-N	310.419	1.880	50	20	DDGD	
CC(C)(C)OC(=O)[C@@H](C(=O)NNC(=O)c1ccc[nH]1)C(C)(C)C	854277712	IMLJKGWQXQZSQS-LLVKDONJSA-N	323.393	1.780	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@]1(C)CC(c2ccccc2)=NO1	856764630	IOGPQAZCIPTKMW-INIZCTEOSA-N	303.362	1.763	50	20	DDGD	
N#CCc1ccc(C(=O)NNC(=O)c2cccc(C#N)c2)cc1	759006856	AKCMXCSZFBDQKH-UHFFFAOYSA-N	304.309	1.699	50	20	DDGD	
C[C@@H](CNC(=O)NNc1cc(F)ccc1F)S(C)(=O)=O	921638889	DQQMOUYRBFHMDH-ZETCQYMHSA-N	307.322	1.024	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ccc2nc(O)oc2c1	759303460	LYESZBZAKOOYRP-UHFFFAOYSA-N	315.245	1.594	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)C2CC2)CC1)c1cccc(Cl)n1	857324771	MXDRGKBQKFEUEM-UHFFFAOYSA-N	307.737	1.255	50	20	DDGD	
O=C1C[C@@](C(=O)NCC(Cl)Cl)(c2ccccc2)CN1	854450742	HTSNAZYKQKVKHV-ZDUSSCGKSA-N	301.173	1.364	50	20	DDGD	
Cc1nc(NC(=O)NC[C@]2(C)C[C@@H]2Br)nn1C	856868257	KWMOSKHLDBZXON-XVKPBYJWSA-N	302.176	1.419	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2cnn(-c3ccccc3)n2)n1	757857336	VZBATDOZOAFFNF-UHFFFAOYSA-N	324.348	1.823	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(OC)ccc1OC(F)F	755822125	GFNSMQVHJPRKIQ-UHFFFAOYSA-N	319.264	1.096	50	20	DDGD	
C[S@](=O)c1cccc(NC(=O)NNC(=O)c2ccccn2)c1	756523255	BJKLBDOBYWFALM-QFIPXVFZSA-N	318.358	1.286	50	20	DDGD	
C[C@]1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H]1Br	857395338	SADPZLWMYAJBBM-HZGVNTEJSA-N	303.116	1.221	50	20	DDGD	
CO[C@@H](CC(=O)NNC(=S)N[C@H](C)C1CC1)C(F)(F)F	855095136	IYHXVNFRCHDPCG-SVRRBLITSA-N	313.345	1.248	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@]12CCCc1ccccc12)c1cc[nH]n1	855357834	QXCGCVXDZZXGRR-GUYCJALGSA-N	310.357	1.465	50	20	DDGD	
COCC[C@H](C)S(=O)(=O)NC[C@]1(C)C[C@H]1Br	856754818	NVAHKQNASUQSFO-AEJSXWLSSA-N	314.245	1.504	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1c(C)oc2ccc(OC)cc12	854925846	NYHKDVZJDQSTGZ-UHFFFAOYSA-N	307.375	1.831	50	20	DDGD	
Cn1ccc(CNC(=O)NC[C@@]2(C)C[C@H]2Br)c1	856838814	LWGXWWUNXVPWQQ-ZYHUDNBSSA-N	300.200	1.998	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)N1CC[C@H]2C[C@@H]2C1	852030300	DORWOGWLIDCQEZ-QWHCGFSZSA-N	303.362	1.538	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Cn2cc(C3CC3)cn2)cc1	854215306	FNJVMHLKHHHBKS-UHFFFAOYSA-N	312.373	1.784	50	20	DDGD	
CSC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	854260558	KPOVGTGYSFHPLP-UHFFFAOYSA-N	309.391	1.223	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=O)c2cccc(C#N)c2)C1	857856608	MTPKIZJROYWZMZ-YGRLFVJLSA-N	323.356	1.408	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc(-c2nnc(S)o2)cc1	759375241	CIVLVBQTGYYVCJ-UHFFFAOYSA-N	306.347	1.442	50	20	DDGD	
CC(C)c1cccc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c1	854516946	UTUCZFOKSYAUSD-OAHLLOKOSA-N	324.446	1.916	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(C2CC2)nc2onc(C)c12	854926864	NONLMYWIMMZGNU-UHFFFAOYSA-N	319.390	1.490	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cc[nH]n2)cc1Br	755726428	BYZKUXDZOYXAAX-UHFFFAOYSA-N	323.150	1.945	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCSC(C)(C)C1	751494899	SRDQUODXRRGHGF-LLVKDONJSA-N	301.456	1.396	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)c1cn(CC2(C)COC2)nn1	855369363	MLJFORQUFNMMHV-UHFFFAOYSA-N	319.340	1.519	50	20	DDGD	
CC(C)C1(C(=O)NNC(=O)c2ccc(Cl)cc2F)COC1	934044220	RYPYKTWHDHXYIK-UHFFFAOYSA-N	314.744	1.913	50	20	DDGD	
O=C(NNC(=O)N1CCC([C@@H]2CCCO2)CC1)C1CCCC1	753346058	VAYLFWDDXQHEJP-AWEZNQCLSA-N	309.410	1.808	50	20	DDGD	
Cc1csc(C=NNC(=O)[C@@H]2COc3ccccc3O2)n1	755483892	JQSIBFKKMKEZBT-LBPRGKRZSA-N	303.343	1.742	50	20	DDGD	
Cc1nc[nH]c1C=NNC(=O)c1cc(Br)ccc1O	755742477	BVHQIEGFEWNNJO-UHFFFAOYSA-N	323.150	1.950	50	20	DDGD	
C=CCCn1cc(C=NNC(=O)COc2cccc(C)c2)nn1	853264566	IFXJFMPXQZRUFS-UHFFFAOYSA-N	313.361	1.692	50	20	DDGD	
C[C@]1(CNC(=O)N2[C@H]3CC[C@H]2COC3)C[C@H]1Br	856892499	GDLHNORQGBHAJG-UXCLJVHYSA-N	303.200	1.733	50	20	DDGD	
Cc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)c2ccnnc2)cc1C	854969082	VSCYUFWOEJPYSH-LSDHHAIUSA-N	310.357	1.658	50	20	DDGD	
O=C(C[C@@H]1C(=O)Nc2c(F)cccc21)NNC(=O)C1CCC1	932516686	MDRUSJNAFSIIML-JTQLQIEISA-N	305.309	1.199	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)CNC(=O)c1ccco1)CC(C)(C)C	751202893	JVLCVHHRSBTWKI-LLVKDONJSA-N	323.393	1.619	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cnn(C2CCC2)c1	935869316	NCUJADRHASAWCH-UHFFFAOYSA-N	324.381	1.158	50	20	DDGD	
C[C@@H](NNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)C(F)(F)F	862307486	YCHOMBNOLMBSDD-RKDXNWHRSA-N	307.316	1.349	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1c(F)c(F)cc(F)c1F	760914180	IKVZEXPACHDRQI-UHFFFAOYSA-N	304.178	1.929	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNc2ccc(C(F)(F)F)nn2)[C@H]1C	860401476	LIMOWMMPBSEUKC-LITAXDCLSA-N	318.299	1.998	50	20	DDGD	
COCCOCC(=O)NNC(=O)C[C@@H](C)c1ccccc1F	869909390	ULEWRYXKYIGDDM-LLVKDONJSA-N	312.341	1.130	50	20	DDGD	
O=C(CNC(=O)C1CC1)NNc1c(Cl)cccc1Cl	763617573	OSKJQHQQLGUNTB-UHFFFAOYSA-N	302.161	1.963	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C2(F)CCOCC2)ccc1F	868761082	IEQDYUAGBNDTES-UHFFFAOYSA-N	314.288	1.574	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)n1	862524804	VNQQHUOPNZIMSE-DTWKUNHWSA-N	316.283	1.290	50	20	DDGD	
O=C(NNC(=O)c1ccc(-c2cc[nH]n2)s1)c1ccc[nH]1	761417861	CZDCFKHRAZVIRY-UHFFFAOYSA-N	301.331	1.541	50	20	DDGD	
C[C@@H](CCS(C)(=O)=O)NC(=O)c1cccc(CCl)c1	1353608506	CMDSANROBXHAQW-JTQLQIEISA-N	303.811	1.978	50	20	DDGD	
Cc1cc2c(cc1C)C(=NNC(=O)[C@H]1CCC(=O)N1)CCS2	863152733	FAKGCYCMBIABOU-CYBMUJFWSA-N	317.414	1.898	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H]2CCCN2C(=O)c2ccccc2)cc[nH]1	862509046	DIBXBVGDRPIXFI-MRXNPFEDSA-N	324.384	1.560	50	20	DDGD	
O=C(NNc1cnccn1)C(=O)Nc1cccc(-n2cccc2)c1	766257610	XBUUNNJTVBYWLP-UHFFFAOYSA-N	322.328	1.349	50	20	DDGD	
COC(=O)C1CCN(S(=O)(=O)CC(C)(C)CCl)CC1	866392501	FHUWKGRZWLFNAM-UHFFFAOYSA-N	311.831	1.466	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC2C[C@H](C)O[C@@H](C)C2)n1	767317062	HGGBVFMNZVBIBJ-UWVGGRQHSA-N	309.370	1.376	50	20	DDGD	
CNC(=O)[C@@H]1CCCN(C(=O)[C@@H](Br)C(C)(C)C)C1	768076940	FEGDHUQWBLTZFI-NXEZZACHSA-N	319.243	1.781	50	20	DDGD	
COc1ccc2c(c1)[C@@H](C(=O)NNC(=O)c1ccncc1)CC2	761386261	PUFBYUXYQHNDGG-AWEZNQCLSA-N	311.341	1.581	50	20	DDGD	
Cn1c(NNC(=O)C2(C)CC(F)(F)C2)nc2ccccc2c1=O	874471418	GHLKMVKPTGKZQY-UHFFFAOYSA-N	322.315	1.812	50	20	DDGD	
CNC(=O)NNS(=O)(=O)c1sc2cccc(F)c2c1C	1116248254	FVYXDRDRBHYAJV-UHFFFAOYSA-N	317.367	1.471	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccc(Br)cc1	875252824	YYZGNWXOIDACQQ-UHFFFAOYSA-N	316.155	1.862	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2nc(O)c3ccccc3n2)c[nH]1	1116283686	JETPMOSKHDDJBX-UHFFFAOYSA-N	311.301	1.089	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1ccccc1F	771969620	SSCAWDQJFVELRA-JTQLQIEISA-N	310.325	1.565	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)c2c(C)nc3ccccn23)c(C)c1	779871896	IREGUXGEBSTKOR-UHFFFAOYSA-N	323.356	1.729	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cccc(C(=O)NC2CC2)c1	878096485	HONNDWUKZUMMDA-UHFFFAOYSA-N	306.322	1.314	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1c(C)cccc1SC	770771666	LTKHSJUKFMGKRV-VIFPVBQESA-N	323.418	1.849	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1cncc(N2CCCC2)n1	878577947	OTMPOBLVXLVGAX-UHFFFAOYSA-N	317.393	1.418	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)CC1	778524307	MGMAWSPIFRLCMF-UHFFFAOYSA-N	314.345	1.264	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccnc1)c1cnccc1C	771558057	TXKYPYKSCPABKL-UHFFFAOYSA-N	311.345	1.055	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2[C@H](C)[C@H](OC)C2(C)C)n1	775770465	DDHIQPMWMHFTPB-WCQGTBRESA-N	323.397	1.479	50	20	DDGD	
O=C(NCc1cccc2cc[nH]c12)NNC(=O)C1CCOCC1	883638680	UAHCWKATSMSBCH-UHFFFAOYSA-N	316.361	1.425	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNc1nccnc1C(C)C	772850227	ZKUIBFGOXBQYLM-UHFFFAOYSA-N	307.398	1.740	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc2c(c1)CCCO2)C1CCCC1	771591226	IGDINLQDDIQENN-UHFFFAOYSA-N	324.402	1.511	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(F)cc(Cl)c1	772189185	XEOSTHAVOFOSSG-SSDOTTSWSA-N	316.716	1.582	50	20	DDGD	
CN1C(=O)CCc2cc(C=NNC(=O)c3ccncc3)ccc21	774301585	MMKYCAUGDSOXNW-UHFFFAOYSA-N	308.341	1.755	50	20	DDGD	
CC(CCn1cccn1)=NNC(=O)c1ccc2c(c1)OCO2	776758257	IYEYOOZPSPQBEI-UHFFFAOYSA-N	300.318	1.808	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)[C@H](C)N1CCN(C)CC1	885125721	WPYJXVXGYAPRPQ-LBPRGKRZSA-N	310.829	1.727	50	20	DDGD	
O=C(NCc1coc2ccccc12)NNC(=O)C1CCOCC1	883412479	DURUDVKJNDQJIM-UHFFFAOYSA-N	317.345	1.690	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C	887151634	FKQJPGBERBRIGQ-ZDUSSCGKSA-N	324.421	1.941	50	20	DDGD	
CN(CCS(C)(=O)=O)C(=O)[C@H](Br)C(C)(C)C	781086988	CAWRYQRNEGBIPO-QMMMGPOBSA-N	314.245	1.299	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)CO1	784143072	BUNYWVRIMOHQRP-CMPLNLGQSA-N	314.345	1.263	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1cnn(C(C)(C)C)c1C	787153151	RCPUDIAEBQXQLJ-UHFFFAOYSA-N	319.409	1.409	50	20	DDGD	
COC(=O)c1c(C)[nH]c(C(=O)NNc2ncncc2Cl)c1C	781829719	FGPFNMQGRZYHEK-UHFFFAOYSA-N	323.740	1.618	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCCN1C(=O)NC2(CCCC2)C1=O	786674545	AEPLWNOIJGKTIP-XFXZXTDPSA-N	317.345	1.254	50	20	DDGD	
O=C(NCC1CC1)NNC(=S)NCCc1ccc(F)cc1	789208134	ISZINIRVIVCNER-UHFFFAOYSA-N	310.398	1.457	50	20	DDGD	
CC1(C)[C@H](NC(=O)NNc2ncncc2Cl)[C@H]2CCO[C@H]21	780999291	LEALOFXEQRWAEB-SZEHBUNVSA-N	311.773	1.570	50	20	DDGD	
COC(C)(C)CC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	785133139	WPVDUBRMDUZRRB-UHFFFAOYSA-N	308.382	1.720	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cnc(O)c2ccccc12	786828392	WXTIRFNXUNXNRB-UHFFFAOYSA-N	300.318	1.294	50	20	DDGD	
CCc1ncsc1NC(=O)C(=O)NNc1ccc(OC)cn1	782143196	WRWHEIVXQJTWBB-UHFFFAOYSA-N	321.362	1.191	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=S)NC(C)(C)C)CCCC1	899998198	HUVYJRUJPOKHDC-UHFFFAOYSA-N	315.439	1.404	50	20	DDGD	
CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](Br)C(C)(C)C	789872847	QVRBHNCJCOESHF-BDAKNGLRSA-N	307.232	1.779	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc(N)nc(Cl)c1	899995634	YKQRDXJJPGEMAF-UHFFFAOYSA-N	301.803	1.225	50	20	DDGD	
CO[C@@]1(C(=O)NNc2cccc([N+](=O)[O-])c2C)CCSC1	897154605	WFEOJSPVMJVERX-ZDUSSCGKSA-N	311.363	1.868	50	20	DDGD	
CC(C)[C@H]1CCCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)C1	794508422	OODRKKVFXAOVGU-MNOVXSKESA-N	303.428	1.243	50	20	DDGD	
N#Cc1ccc(Cl)c(C(=O)NNC(=O)c2ccccn2)c1	794605002	OIXAJNDDCABDIG-UHFFFAOYSA-N	300.705	1.681	50	20	DDGD	
COCCOc1ccc(NC(=O)NNc2ncccc2F)cn1	796587774	KEWBZRJNGOBJLD-UHFFFAOYSA-N	321.312	1.790	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(Cl)c(N2CCCC2=O)c1	792608717	SKUNTXKKIGUVJH-UHFFFAOYSA-N	311.725	1.468	50	20	DDGD	
CC[C@@H]1C[C@H]1NC(=O)NNC(=O)Cn1ccc2ccccc21	798062443	VUDZTLXSFMVQBQ-DGCLKSJQSA-N	300.362	1.770	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc[n+]([O-])c2)c2ccccc2n1	798366873	LVBBJSPFPJQNBG-UHFFFAOYSA-N	322.324	1.251	50	20	DDGD	
C[C@@H](Oc1ccc(C=NNC(=O)c2cnn(C)c2)cc1)C(=O)O	794908721	MTGARMYLFUEHHD-SNVBAGLBSA-N	316.317	1.036	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C[C@@H](CC#N)c2ccccc2)cn1	793523694	BBNJNRZVWLRVNI-CYBMUJFWSA-N	311.345	1.269	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])co1	791070405	KGRVVYRQGMEPDP-UHFFFAOYSA-N	308.225	1.183	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C(C)c1cc(C)n(C)n1	799867698	MZVMKLMHWUJUPS-UHFFFAOYSA-N	315.377	1.689	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)n1	794084532	SDPMKSBWYZPRLS-BFSVRSTQSA-N	323.396	1.545	50	20	DDGD	
Cn1ccc(NNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n1	1161284295	GATNQGLZCRMSSS-NWDGAFQWSA-N	301.306	1.575	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ncoc2[C@@H]2CCCO2)n1	1319024548	PHBRFRPITUUDCA-VIFPVBQESA-N	318.337	1.139	50	20	DDGD	
O=C(NCCCCOc1ccccc1)NNC(=O)C1CCC1	1318404685	WAPFAWVHPPZLSL-UHFFFAOYSA-N	305.378	1.976	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cccnc1N1CCCCC1	1319026309	VUPHHDWIUUPQFJ-UHFFFAOYSA-N	321.450	1.589	50	20	DDGD	
C=CC[C@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)C(=O)OCC	1322239453	RQLQFTMVVFWBBA-VOMSXAGXSA-N	314.341	1.923	50	20	DDGD	
Cn1nc(C(=O)NNc2ccc(C(C)(C)C)nn2)cc1Cl	1327971203	IFLOPVVXMGNINY-UHFFFAOYSA-N	308.773	1.918	50	20	DDGD	
COc1cc(OC)cc([C@H](NC(=O)CCl)c2nccn2C)c1	1320466864	SNZGIICPIKODNB-AWEZNQCLSA-N	323.780	1.882	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccnc(NC(=O)C(C)C)c1	1326228672	ZCTZHTDZMIBGIT-UHFFFAOYSA-N	323.422	1.193	50	20	DDGD	
Cc1cnc(S[C@H](C)C(=O)NNC(=O)CC(C)C)nc1O	1328044597	TVOAJVNVHYGRDI-SECBINFHSA-N	312.395	1.165	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ccc3c(c2)CCO3)c1Cl	1322654607	CLXVRUHQCHRSHM-UHFFFAOYSA-N	305.725	1.404	50	20	DDGD	
Cc1ncncc1C(=O)NNC(=O)Cc1ccc(Cl)cc1	1321705923	GSZZJNZMHACUOK-UHFFFAOYSA-N	304.737	1.442	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=Cc1cccn1C1CC1	1326637363	OOWSIBGILILTJM-UHFFFAOYSA-N	316.386	1.765	50	20	DDGD	
CC(C)Oc1c(F)cc(NC(=O)NNC(=O)CCO)cc1F	1338058042	URVFBVPGJKNLJR-UHFFFAOYSA-N	317.292	1.287	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1	1332594032	UYPDZCFNXCEYII-VXGBXAGGSA-N	322.390	1.602	50	20	DDGD	
C[C@@H]1O[C@H](C)C[C@@H]1CNC(=O)NNc1nncc(N)c1Cl	1331384622	ALWSGVZCITZAEV-GJMOJQLCSA-N	314.777	1.152	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H]1C[C@@H](c2ccccc2)OC1=O	1347466083	CEECHTBVZIFGSY-NEPJUHHUSA-N	321.402	1.195	50	20	DDGD	
CCC[C@@H]1CCC[C@H]1C(=O)NNC(=O)C(=O)NC(CC)CC	1261259351	FKTJMMWYBNCOFA-DGCLKSJQSA-N	311.426	1.655	50	20	DDGD	
CO[C@H]1CCC[C@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)C1	1261233187	JBIHKCBSJIVXSF-QWRGUYRKSA-N	320.393	1.255	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C[C@@H](C)O2	1348224170	DZSMWOJCTJRYLL-VHSXEESVSA-N	319.361	1.142	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@H](C)[C@H]1CCC(=O)N1	1351511888	WZRPHQPPJIKBBM-DGCLKSJQSA-N	312.373	1.901	50	20	DDGD	
C[C@@H]1CNc2c(C(=O)NNc3cccnc3Cl)cnn2C1	1521659828	GBYBQAIKBOZXRN-MRVPVSSYSA-N	306.757	1.750	50	20	DDGD	
C[C@@H](CBr)COC(=O)CCc1ocnc1C(=O)O	1609725371	AGEJVHKAXLBEFR-ZETCQYMHSA-N	320.139	1.880	50	20	DDGD	
Cn1c(C=NNC(=O)c2cccc([N+](=O)[O-])c2)ccc1C(=O)O	1600911937	LIXRYYYSOAZHKP-UHFFFAOYSA-N	316.273	1.395	50	20	DDGD	
CCn1cc(C(=O)C(=O)NNc2ccc(C(=O)O)c(F)c2)cn1	1605915791	ZRGMMIFYUILYQQ-UHFFFAOYSA-N	320.280	1.066	50	20	DDGD	
O=C(O)CN1CCN(C[C@@H](CBr)C2CC2)CC1	1602060991	OXKHBTACTHLRKM-LLVKDONJSA-N	305.216	1.110	50	20	DDGD	
CCc1cc(NC(=O)NNc2ccc(C(=O)O)cc2F)n(C)n1	1605800593	ATEPWWLOGBUBTK-UHFFFAOYSA-N	321.312	1.968	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H]2CC[C@@H](CCC(=O)O)O2)cc1	1601108580	KTBWJNDQOHDNLJ-QWHCGFSZSA-N	303.318	1.414	50	20	DDGD	
C[C@H]1CC[C@H](CNC(=O)NNc2ccc(C(=O)O)c(F)c2)O1	1609847799	MGSGJPXSFRKJAO-WCBMZHEXSA-N	311.313	1.718	50	20	DDGD	
Cc1nccn1CCNC(=O)NNc1cccc(C(=O)O)c1F	1607989745	RURODIHNGNWGFY-UHFFFAOYSA-N	321.312	1.355	50	20	DDGD	
Cc1cccc2c1O[C@@H](C(=O)NNc1ncccc1C(=O)O)C2	1605350337	XXDUPRMPCKQMQZ-GFCCVEGCSA-N	313.313	1.535	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](C(=O)O)c1cc(C)cc(C)c1	1610033689	CYFKUERYKVTUPT-KADHNRKRSA-N	302.330	1.989	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1cncc(C)c1	1549319211	GVFIVLQZCWFXLS-HUUCEWRRSA-N	302.378	1.093	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)NN=C1CC[C@@H]2C[C@H]12	1549904012	FETJPUYTHKZGJI-OXJKWZBOSA-N	302.378	1.790	50	20	DDGD	
COCC(C)(C)C=NNC(=O)[C@@H]1CCCO[C@@H]1c1nccn1C	1549312588	WUBXAKMBDRZJKR-OLZOCXBDSA-N	322.409	1.662	50	20	DDGD	
COC1(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)CCCCC1	1549320061	KIMXGRFOAQTHMS-UONOGXRCSA-N	309.410	1.301	50	20	DDGD	
CNNC(=O)c1cccc(OCCN(C)C(=O)OC(C)(C)C)c1	1578745062	RDPGMVLTOYAHKN-UHFFFAOYSA-N	323.393	1.797	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C[C@@H]2CNC[C@H]2C)c(C)c1	1579723456	BPRNQAMCRWLCTO-CHWSQXEVSA-N	320.462	1.867	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H](N)CC(C)C)c1	1579581458	SWDNKPHPCBZTPR-CQSZACIVSA-N	307.394	1.203	50	20	DDGD	
CCOc1ccccc1[C@H](N)CC(=O)NNc1nnc(C)n1C	1578203794	GCJZWQJWRGKWDA-GFCCVEGCSA-N	318.381	1.055	50	20	DDGD	
O=C(NNc1ccccc1Br)[C@H]1NCc2n[nH]cc21	1580739547	JAAIEULTHYOFSD-NSHDSACASA-N	322.166	1.460	50	20	DDGD	
O=C(C1=CCCS1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](F)Cl	1847846027	KBOZCPRWQHPATJ-ATZCPNFKSA-N	318.801	1.743	50	20	DDGD	
CCC(=O)N1CC2(CCCN2C(=O)[C@@](C)(Cl)CCl)C1	1845169776	DYBVAMQZNIWWMR-LBPRGKRZSA-N	307.221	1.836	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)/C=C/C2CC2)C1	1841373724	RXZQODYCKWANBO-ITKZLYELSA-N	300.761	1.690	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCCc1ccc(-c2nn[nH]n2)cc1	1592662867	LJFNBVJWOKGPTP-NTEUORMPSA-N	309.329	1.812	50	20	DDGD	
O=C(O)Cc1cccc(NC(=O)NNc2cccc(F)n2)c1	1595131902	RZQHZLNHZLZTCQ-UHFFFAOYSA-N	304.281	1.996	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NN[C@@H](Cc2ccc(F)cc2)C(=O)O)O1	1599906889	RPTZVUHEBQBSSU-XDTLVQLUSA-N	310.325	1.010	50	20	DDGD	
N#Cc1cccc(NNC(=O)[C@H]2CO[C@@H](CCC(=O)O)C2)c1	1594628455	UUJUGIBEYOVAJJ-YPMHNXCESA-N	303.318	1.271	50	20	DDGD	
O=C(O)c1ccccc1CNS(=O)(=O)CBr	1595254967	BDKYRZKYOPQCGV-UHFFFAOYSA-N	308.153	1.157	50	20	DDGD	
CC(C)c1ccc2c(c1)[C@@H](NC(=O)NNC(=O)C(=O)O)CCC2	1591980628	IPDVYQZBCWXEGV-ZDUSSCGKSA-N	319.361	1.602	50	20	DDGD	
COc1ccc(CNC(=O)NNc2cccc(C(=O)O)c2)cn1	1599567394	SLVWZCLCDCQPJF-UHFFFAOYSA-N	316.317	1.615	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)NC1(C(F)(F)F)CC1	1594781599	FUBHENCFODYBAO-UHFFFAOYSA-N	304.228	1.501	50	20	DDGD	
CCCn1ccc(C=NNC(=O)c2ccc(C(=O)O)cc2)n1	1776101520	LXNCIFGBJRVNSO-UHFFFAOYSA-N	300.318	1.755	50	20	DDGD	
CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)CCl)C2	1795107540	OGHAPAWMXNXAJG-PTEHBNRSSA-N	316.829	1.251	50	20	DDGD	
CC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)C	1795579079	TZBWJJTUYINOBM-YVECIDJPSA-N	315.845	1.204	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1ccc(C(C)(C)C)s1	161098040	CVFMKIOWSXRVAV-UHFFFAOYSA-N	306.409	1.985	50	20	DDGD	
CCCc1nccn1CC(=O)NNC(=O)c1ccc(F)cc1	153549913	RVPYMQUOKXDTHV-UHFFFAOYSA-N	304.325	1.436	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)O1	157785821	BFXONPOLMYYKFG-GWCFXTLKSA-N	306.366	1.473	50	20	DDGD	
NC(=O)NC1(C(=O)NNc2cccc(C(F)(F)F)c2)CC1	159415574	AYKNRTOFLORZIH-UHFFFAOYSA-N	302.256	1.349	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)CCc1ncc[nH]1	862288864	RUTDWVNHLHFMIT-UHFFFAOYSA-N	302.334	1.642	50	20	DDGD	
Cc1ccc(NNC(=O)NCCCCN2CCC[C@@H](C)C2)nn1	106263892	YLRXEHNILIKLKH-CYBMUJFWSA-N	320.441	1.923	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21	10416012	KURJVQWLKWZRDH-SNVBAGLBSA-N	323.324	1.807	50	20	DDGD	
CNC(=O)NNC(=O)c1sc2cccc(F)c2c1COC	56375299	QWDXJOVNMLNCDD-UHFFFAOYSA-N	311.338	1.761	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCCn2cccn2)cc(C#N)n1C	56872902	IGFSQGAZGYWSCP-OQLLNIDSSA-N	322.372	1.515	50	20	DDGD	
COc1ccsc1C(=O)NNC(=O)COc1ccc(F)cc1	106009761	GTLICJSCZPXSTE-UHFFFAOYSA-N	324.333	1.736	50	20	DDGD	
CC[C@@H](COC)NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	172451055	BLYKJDMNQLQVKH-BLXFFLACSA-N	300.362	1.653	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)NC1CCOCC1	175922778	AFVJCIIIHXJMBB-UHFFFAOYSA-N	303.318	1.556	50	20	DDGD	
CCCOc1ccc(OCC(=O)NNC(=O)NC2CC2)cc1	64428960	IMQWOZCVONNRBK-UHFFFAOYSA-N	307.350	1.347	50	20	DDGD	
CC(=O)N[C@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	28638066	OXWYSTJKGZNHAX-ZCFIWIBFSA-N	318.160	1.279	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)NNc1cccc2cnccc12	178526525	QXKGVUAUGYAZGZ-UHFFFAOYSA-N	321.402	1.749	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc(C#N)c[nH]1	175105102	JIABQWKZMFFYEJ-SECBINFHSA-N	316.292	1.254	50	20	DDGD	
Cc1nc(NC(=O)NNC(=O)COc2ccccc2F)oc1C	65773809	BGHGSFCVBKKIQT-UHFFFAOYSA-N	322.296	1.662	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1cn(C)nc1-c1cccnc1	66405632	DBBOGYVLAGKEEF-JYRVWZFOSA-N	312.329	1.579	50	20	DDGD	
Cc1ccccc1[C@@H](C)CC(=O)NNC(=O)c1cnn(C)c1	117680331	WVPJIJIXPJXWGV-LBPRGKRZSA-N	300.362	1.683	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1cc(C2CC2)[nH]n1	68456586	UCWPEZKCIUIGCG-UHFFFAOYSA-N	319.390	1.535	50	20	DDGD	
COCc1cc(CNC(=O)NNc2ccc(C)nn2)ccc1F	171661430	AJWFPZALALXIOS-UHFFFAOYSA-N	319.340	1.897	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H](Cc1ccccc1)C(C)C	121658029	QUCQOZBDGINMQK-CQSZACIVSA-N	314.389	1.994	50	20	DDGD	
CCc1nc(CC(=O)NNc2ncnc3nc[nH]c23)cs1	173949785	SVRMPJHHESAURK-UHFFFAOYSA-N	303.351	1.058	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2coc(-c3ccccc3)n2)cn1	78134693	YEEUTCLTMTZROG-UHFFFAOYSA-N	311.301	1.150	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccc(F)cc2O)cc1	123300485	WFSCHNNTKFIFIE-UHFFFAOYSA-N	317.320	1.713	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1	31673051	LBQDLKCZZFNZQQ-UHFFFAOYSA-N	312.391	1.287	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNc1cncc(Cl)n1)c1ccco1	126270642	AAOGWVAZGZTURJ-SECBINFHSA-N	324.772	1.652	50	20	DDGD	
CN1CCC(=O)Nc2cc(C(=O)NNc3ccncc3)ccc21	180487837	GNTRJPYMNXAROG-UHFFFAOYSA-N	311.345	1.617	50	20	DDGD	
CNc1nc(C(=O)NNc2nc(-c3ccccc3)no2)cs1	120185407	IAOODYQDYOJJOK-UHFFFAOYSA-N	316.346	1.992	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NNC(=O)C(C)(C)C)cc1	73569606	RCVFSXMROQEFER-UHFFFAOYSA-N	300.380	1.441	50	20	DDGD	
CN(C)C(=O)CCCC(=O)NNC(=O)CCCc1ccccc1	73331030	AKVRHSDHOJYXLL-UHFFFAOYSA-N	319.405	1.415	50	20	DDGD	
COc1ccc(CC(=O)NNc2ncc(F)cn2)cc1OC	123060169	RQKVGNWQJCEGAU-UHFFFAOYSA-N	306.297	1.319	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCCNC(=O)[C@@H]1C	189243676	DSPJJINADQBZTF-NSHDSACASA-N	312.801	1.089	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Nc1cccnc1	73117450	RTUXBGKOUBGOOO-SNVBAGLBSA-N	318.308	1.841	50	20	DDGD	
N#Cc1c(F)cccc1C(=O)NNC(=O)NC1CCCCC1	188937043	BOAZYIOODCSGNA-UHFFFAOYSA-N	304.325	1.974	50	20	DDGD	
CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(S(=O)(=O)CBr)C[C@@H]3C2	375679720	OCSREXOSODOXDH-BQHMLIOBSA-N	310.213	1.024	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCCCO[C@@H]1CCOC1	185536241	FWBZZLHJNOEFTO-GFCCVEGCSA-N	311.357	1.956	50	20	DDGD	
CC[C@H](C)[C@@H](C)C(=O)NNc1nccc(N2CCOCC2)n1	184208004	VRWQNBYIHOBOQF-NWDGAFQWSA-N	307.398	1.439	50	20	DDGD	
CC[C@@H](CSC)NC(=O)NNC(=O)c1cccc(N(C)C)c1	181454789	URLOFCPPRURSNM-LBPRGKRZSA-N	324.450	1.838	50	20	DDGD	
C=C[C@@](C)(CCOC)C(=O)NNC(=O)Cc1ccccc1OC	188355984	AOCJMIOFBHRFGU-KRWDZBQOSA-N	320.389	1.614	50	20	DDGD	
CCCCc1nnc(NC(=O)NNC(=O)c2ccc[nH]2)s1	182879781	MUSSQJUEXXENOP-UHFFFAOYSA-N	308.367	1.675	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)/C=C/c1ccccc1F	77164085	IOXFJADPAUDYEZ-MDZDMXLPSA-N	321.352	1.291	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1cccc(-n2ccnn2)c1	131783098	XQDMILXOKPSABQ-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
O=C(CSC(F)(F)F)NNC(=O)c1cccc([N+](=O)[O-])c1	48073099	JKOCYINJAAONNP-UHFFFAOYSA-N	323.252	1.609	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C1(C#N)CCC1	134490226	OQFQMMYSKCDAOY-JTQLQIEISA-N	305.309	1.434	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)C1CCC(O)CC1	194520619	ZRCGJQONESWLSG-UHFFFAOYSA-N	304.272	1.490	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2ccccn2)[nH]c(C)c1C(C)=O	48168099	NTANWZJGFJMRMI-UHFFFAOYSA-N	314.345	1.558	50	20	DDGD	
CC(C)N(CCNC(=O)NNc1nc2ccccn2n1)C(C)C	190359484	GQGYAZMCRUXMHL-UHFFFAOYSA-N	319.413	1.474	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCCO2)cc1Cl	48654067	IMHBDDSLNZPURQ-NSHDSACASA-N	318.782	1.137	50	20	DDGD	
CC[C@H](C)CC(=O)NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1	191579547	BXGSYATVEIRBRP-VIFPVBQESA-N	320.397	1.754	50	20	DDGD	
Nc1ccc(C(=O)NNC(=O)CC2CCCC2)cc1[N+](=O)[O-]	195221353	HCZRANSTNUUPEZ-UHFFFAOYSA-N	306.322	1.518	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)NC1CCCCC1)N(C)CC(F)(F)F	194997971	YMDWEKSNLFOAIX-VIFPVBQESA-N	324.347	1.532	50	20	DDGD	
Cc1nc(CC(=O)NNc2nc3ccccn3n2)c(C)s1	191911839	YFNNSWRFXQAJOY-UHFFFAOYSA-N	302.363	1.488	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H](C)c2nnc3n2CCC3)n1	264573696	UESUIBQUZYPLDY-SNVBAGLBSA-N	316.369	1.018	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)n1	266918913	BPPZWFODNJAHNF-WCQGTBRESA-N	321.381	1.233	50	20	DDGD	
COc1ccc(C=O)c(OCC(=O)NNC(=O)OC(C)(C)C)c1	265232505	HUCODJWKNZILIL-UHFFFAOYSA-N	324.333	1.442	50	20	DDGD	
Cc1nc(C(C)(C)C)nc(O)c1C(=O)NNC(=O)OC(C)(C)C	266948745	GJGZDOYRZYFJJH-UHFFFAOYSA-N	324.381	1.958	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC(OCCCN(C)C)CC1	269449320	BWDGZILZNPXQDY-BUHFOSPRSA-N	309.410	1.390	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNc3ccc(OC)cn3)(CC1)C2	365283741	FEQIAJYZPHKLQB-UHFFFAOYSA-N	319.361	1.657	50	20	DDGD	
CCC1(C(=O)NNc2nc(O)c3cnn(C)c3n2)CCCC1	269291543	FNVPDRXEPBUUAA-UHFFFAOYSA-N	304.354	1.482	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)[C@@H]1CCc2nccn2C1	364373613	KGAORDNTPHRDQT-SNVBAGLBSA-N	324.344	1.238	50	20	DDGD	
COCCCn1ccc(NC(=O)NNC(=O)CC(C)(C)C)n1	273610296	VNIDWFSBQRBQEA-UHFFFAOYSA-N	311.386	1.509	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccc(Br)nc1	273485457	VPDUCHPLHWFBME-UHFFFAOYSA-N	313.155	1.797	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H](C)CCN(C)C)c1	272694632	WSUOAGOILXLYNI-LLVKDONJSA-N	308.382	1.440	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)CC[C@@H](C)OC	272784260	FLVQHSTYFBQSBV-LLVKDONJSA-N	310.350	1.037	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ccnn1Cc1ccccn1	272876563	VVBNFTOEOCUHLU-UHFFFAOYSA-N	314.349	1.279	50	20	DDGD	
C[C@H](NC(=O)C1CCCC1)C(=O)NNc1cc(Cl)ccn1	272155169	BCAYKDVHHOCDEW-VIFPVBQESA-N	310.785	1.873	50	20	DDGD	
CC(C)(C)OC(=O)CCC(=O)NNC(=O)c1ccccc1F	278360560	LQZSWQQWSSEKMO-UHFFFAOYSA-N	310.325	1.709	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)N[C@H]1CCN2CCCC[C@@H]12	272515309	YVSGJLWFGMILEO-RYUDHWBXSA-N	309.801	1.988	50	20	DDGD	
C=C(C)C[C@@H](C)C(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C	274561140	WKYWJPITGNGATA-MNOVXSKESA-N	313.398	1.649	50	20	DDGD	
CC(C)[C@@H](O)C(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	287298367	ZWVBUILIZDFTQI-JOYOIKCWSA-N	314.769	1.272	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)N[C@@H]2C[C@H]2CC)cc1OC	281448944	FXQGJZMPAYHURE-ZYHUDNBSSA-N	321.377	1.836	50	20	DDGD	
CCS[C@@H]1CCC[C@@H]1NCC(=O)NNC(=O)c1ccccc1	286247905	SBKYQHIKLYXBHH-UONOGXRCSA-N	321.446	1.711	50	20	DDGD	
COC(=O)[C@H]1CC[C@H](C(=O)NNc2cc(C)nc(C)n2)CC1	281596057	QXYPOINPSXLTDF-HAQNSBGRSA-N	306.366	1.516	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CCN(CC(F)(F)F)C2)nc(C)n1	280486071	GTNLRYQVUXXEGQ-SNVBAGLBSA-N	317.315	1.421	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)c1c[nH]c2ccccc12	280409268	YESGQALMPFWYKA-QWRGUYRKSA-N	313.357	1.934	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H](C)Cn1ccc2ccccc21	285040636	PNUALTJQXFZXOG-LBPRGKRZSA-N	316.430	1.959	50	20	DDGD	
CSSCCNC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F	803477632	HCUHUXPXGKUSGX-ZETCQYMHSA-N	316.370	1.667	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)[C@@H]2CCCCO2)sc1C	296674553	HHLNCZYDFHZDRW-JTQLQIEISA-N	318.420	1.244	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C/c1c(C(=O)OC)nn(C)c1C	292831296	WRNCYAMQAGZYPW-DHZHZOJOSA-N	304.350	1.338	50	20	DDGD	
Cc1nc2cccc(C(=O)NNc3nc4ccccn4n3)c2[nH]1	801962868	VBQCQRKUOUTVCO-UHFFFAOYSA-N	307.317	1.671	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)C2(O)CCCC2)cc1	802119608	NDMRKCXDFMCGQZ-UHFFFAOYSA-N	306.366	1.210	50	20	DDGD	
CO[C@](C)(CNC(=O)NNC(=O)c1ccc(C#N)cc1)C1CC1	291629110	DCGLRODGAKLNRW-MRXNPFEDSA-N	316.361	1.317	50	20	DDGD	
O=C(NNc1nnc[nH]1)[C@H]1CCN(c2ccccc2Cl)C1	298336145	KFPSZJFQXROXAN-VIFPVBQESA-N	306.757	1.428	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CSC(F)F)c1O	299237534	HXPSHUGBRLYOOR-UHFFFAOYSA-N	306.290	1.118	50	20	DDGD	
O=C(Cc1ccc(F)cn1)NNc1cccc(F)c1[N+](=O)[O-]	807444891	LLGVWUZLMHAPSW-UHFFFAOYSA-N	308.244	1.954	50	20	DDGD	
CN(C)c1cc(NC(=O)NNC(=O)CC2CCCC2)ncn1	290689354	MMIGYCRFGUTZOK-UHFFFAOYSA-N	306.370	1.276	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	295797781	SCVAEERCYCBTEF-NSHDSACASA-N	301.293	1.933	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(F)cc2nccnc12	295685065	YMYIFALKNDVSKL-GFCCVEGCSA-N	318.308	1.099	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@@H]1CCN(c2ccccc2F)C1	293268614	GKUZYFLUSSOUNU-LLVKDONJSA-N	322.384	1.781	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)Nc2ccc(OC)cc2)CC1	802052244	JETRBAIQGXAGDP-UHFFFAOYSA-N	307.350	1.665	50	20	DDGD	
COC(=O)N1CCC(CNC(=O)NNc2ccc(F)cc2)CC1	807523389	HNXOZOLXPKKOEA-UHFFFAOYSA-N	324.356	1.930	50	20	DDGD	
Cc1nc2ccnn2c(C)c1C(=O)NNc1ncncc1F	817082875	OVJFDHDMAUTEHQ-UHFFFAOYSA-N	301.285	1.032	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1cccc(CO)c1	814854518	LGECKGVNHPXHMK-UHFFFAOYSA-N	305.378	1.324	50	20	DDGD	
O=C(NNc1cccnn1)C1CCC(OC[C@@H]2CCCO2)CC1	816067870	CAHBDNJASFBHBT-RUXDESIVSA-N	320.393	1.674	50	20	DDGD	
Cc1ccc(OCC(=O)NN=C2CCN(C(N)=O)CC2)cc1C	812390068	UBEVUXQAGNOEPW-UHFFFAOYSA-N	318.377	1.329	50	20	DDGD	
O=C(NN=Cc1cccc(C2CC2)c1)[C@H]1CCS(=O)(=O)C1	817322900	ODEIAPMRDFONPQ-AWEZNQCLSA-N	306.387	1.449	50	20	DDGD	
CON(C)C(=O)C1CCN(C[C@@H](C)CBr)CC1	812871499	IIXWBHQNCKQBIQ-JTQLQIEISA-N	307.232	1.749	50	20	DDGD	
COCCN(C)NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1	816560900	FGMDTNKEVSTMDM-UHFFFAOYSA-N	308.769	1.953	50	20	DDGD	
C=CCC(F)(F)C(=O)NNC(=O)NCCc1cccs1	815114105	DKHAUQUHKYLCMZ-UHFFFAOYSA-N	303.334	1.832	50	20	DDGD	
CCCN(C)CC(=O)NNc1ccc(C(=O)OCC)c(C)c1	812721234	XWOBGVMLTFLWRQ-UHFFFAOYSA-N	307.394	1.957	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)c2ccc3c(c2)OCO3)cn1	814700555	WSQJTUCTJGSVPM-UHFFFAOYSA-N	313.317	1.035	50	20	DDGD	
O=C(NN=Cc1cscn1)C1CCN(c2ncccn2)CC1	728782381	JYTNPGBYVARMLG-UHFFFAOYSA-N	316.390	1.300	50	20	DDGD	
CC1CCN([C@@H](C)CNC(=O)NNc2ncncc2F)CC1	814310036	LLBLEEWSIQBFQV-NSHDSACASA-N	310.377	1.362	50	20	DDGD	
Cc1ncsc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	826331828	ZHXUZVKFHRHGEO-UHFFFAOYSA-N	301.335	1.389	50	20	DDGD	
C=CCONC(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C	491053124	XLZJVLPXXZCSOB-XNTDXEJSSA-N	303.362	1.892	50	20	DDGD	
CN(NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C	496435532	OBHDOLJRLRVICU-UHFFFAOYSA-N	311.363	1.618	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCCC[C@@H]1Cc1ccccc1	827655250	PVXVIQCBXMYTRR-MRXNPFEDSA-N	317.433	1.887	50	20	DDGD	
Cc1cc(C)cc(-n2nc(C(=O)NN(C)[C@@H](C)CO)cc2C)c1	823939330	JCPLHTSROIWIPI-AWEZNQCLSA-N	316.405	1.755	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1	496007831	COKYPZGYVQOYSI-UHFFFAOYSA-N	316.232	1.394	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C	493647154	VLMSWPZFNRLMHC-UHFFFAOYSA-N	323.714	1.106	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C(=O)Nc1cc(C)on1	725733154	VURCNPVNWWMTGD-UHFFFAOYSA-N	321.245	1.444	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1cc(-c2nn[nH]n2)cs1	823115455	OCIIKOWWBLZJEH-UHFFFAOYSA-N	313.346	1.016	50	20	DDGD	
CCN(CCO)NC(=O)COc1cccc(OCC(C)C)c1	823869808	QGOBMIFPJPVSNC-UHFFFAOYSA-N	310.394	1.446	50	20	DDGD	
CC(=NNC(=O)c1ccc(C)o1)c1ccc(-c2nn[nH]n2)s1	823948816	ZIKCPVDLAVZBLR-UHFFFAOYSA-N	316.346	1.984	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C	497218025	AHHRFRANBWNOCI-LBPRGKRZSA-N	315.414	1.385	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H](C)c1ccc(Br)cc1	823869139	AXEWUKJSYKXFKV-JTQLQIEISA-N	315.211	1.898	50	20	DDGD	
COc1ccccc1Nc1ccccc1C(=O)NCB(O)O	585063234	WYDFZZPEEASBIG-UHFFFAOYSA-N	300.123	1.181	50	20	DDGD	
COC(=O)NNC(=O)c1cccc(OCc2cccnc2)c1	495406848	GNRZUKAMQRINAL-UHFFFAOYSA-N	301.302	1.661	50	20	DDGD	
CN(NC(=O)Nc1ccccc1CN1C(=O)CCC1=O)C1CC1	824131204	LRDNPYMBMGUREP-UHFFFAOYSA-N	316.361	1.466	50	20	DDGD	
COc1ccc(F)cc1[C@@H](C)NCc1cccc(B(O)O)c1	585017173	OFMLRDXHFBWKBI-LLVKDONJSA-N	303.142	1.365	50	20	DDGD	
Cc1cc(C(=O)NCB(O)O)cc(Cl)c1Br	585063181	VMPJNQKTIDUMPD-UHFFFAOYSA-N	306.352	1.153	50	20	DDGD	
CCN(CCO)NC(=O)CCc1ncc(-c2ccccc2F)o1	823842122	PSNYCHNUMKCXJO-UHFFFAOYSA-N	321.352	1.759	50	20	DDGD	
CCS[C@H]1CC[C@@H](N(C)C(=O)c2cccc(B(O)O)c2)C1	584956028	ZFDXPOWEMPVEGC-KGLIPLIRSA-N	307.224	1.113	50	20	DDGD	
COc1cc(OC)c(OC)cc1NCc1ccccc1B(O)O	585016688	VZSWRDHRVKIHEA-UHFFFAOYSA-N	317.150	1.004	50	20	DDGD	
Cc1ccc(-n2ncc(C(=O)NCB(O)O)c2C(C)C)cc1	585056391	UMFONPLWXRRJSJ-UHFFFAOYSA-N	301.155	1.046	50	20	DDGD	
CN(C)Cc1ccc(NCc2ccc(B(O)O)cc2F)cc1F	585016735	XSGZHKKCPUBVDQ-UHFFFAOYSA-N	320.148	1.318	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	820631269	WPVRTTVIZNXBAR-YPMHNXCESA-N	321.352	1.725	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1cc(=O)c2ccccc2o1	734261251	IIKMNIPFVLGAMF-UHFFFAOYSA-N	316.704	1.993	50	20	DDGD	
CCOCC(=O)NN=Cc1ccc(OC)c(OCCCC#N)c1	731154531	QHPLAOFYLPFWOG-UHFFFAOYSA-N	319.361	1.864	50	20	DDGD	
COc1ccc(CCCC(=O)N2CC[C@H](B(O)O)C2)cc1OC	902552626	QRSSBPWUNNGDLV-ZDUSSCGKSA-N	321.182	1.102	50	20	DDGD	
C[C@@]1(C(=O)NNc2cc(Cl)nc(N)n2)C[C@H]1Br	907305837	FUEOTHAYWMYXDC-ALFREKQPSA-N	320.578	1.329	50	20	DDGD	
CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)[C@H]1CCCC[C@H]1C	834956390	OBCJIAMCTNACTF-USWWRNFRSA-N	303.428	1.243	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)C(C1CC1)C1CC1	494741300	DODDTBBPVOSBBO-UHFFFAOYSA-N	311.382	1.095	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCC[C@H](O)C2CCCC2)cn1	831400907	FUIYDOCEIRXQKJ-NHXNDTTKSA-N	302.378	1.384	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)NC(CF)CF	836263548	YLGIYSCZIMWIJY-UHFFFAOYSA-N	301.293	1.094	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1c[nH]nc1-c1cccnc1	730422713	ABBWQDMMWZPEGF-UHFFFAOYSA-N	313.361	1.813	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CS[C@@H](C)CC(=O)O)c1	832963082	JWULXIOMJISQMN-JTQLQIEISA-N	310.375	1.352	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(CCCl)cc1)C1CCC1	732048262	WZDZCTSFOLLOOP-UHFFFAOYSA-N	316.810	1.578	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNc1ccc(C(=O)O)cc1OC	833373884	HUFMVCDHAXFXJD-SNVBAGLBSA-N	308.334	1.818	50	20	DDGD	
CC(C)(C)OC(=O)C1(C(=O)NNc2cccnn2)CC=CC1	832044190	LOSNQSLHSYHWFZ-UHFFFAOYSA-N	304.350	1.598	50	20	DDGD	
O=C(Cn1cc(C(=O)O)c2ccccc21)NNC(=O)C1CCC1	739359772	QQAVOKZXAAVCRT-UHFFFAOYSA-N	315.329	1.287	50	20	DDGD	
C[C@@]1(C(=O)NCCC(=O)N2CCCCC2)C[C@@H]1Br	906253898	WKOPUYKDJITDFQ-GXFFZTMASA-N	317.227	1.679	50	20	DDGD	
C[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H]2Br)CC[S@]1=O	907742905	NEBFBEMGJSBUEH-OVRAVGDNSA-N	308.241	1.529	50	20	DDGD	
Cc1nnc(NNC(=O)CCc2cc(Cl)cs2)nc1O	736667132	LGTDLCQMAISQQF-UHFFFAOYSA-N	313.770	1.676	50	20	DDGD	
C[C@H]1Cc2cc(S(=O)(=O)NNC(=O)O)cc(Cl)c2O1	736826155	SAKQXJJYGKYXMX-YFKPBYRVSA-N	306.727	1.124	50	20	DDGD	
N#Cc1cccc(C(=O)NN[C@@H](C(=O)O)c2ccccc2F)c1	833074023	MIIUTANUKJFDKN-CQSZACIVSA-N	313.288	1.758	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(OC)c(Cl)c(OC)c1	839165465	KJZJVBUUBLDZIT-UHFFFAOYSA-N	317.729	1.156	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)[C@@H]1CCc2ccccc2O1	839780565	BOHDXCJIDKLFJE-KGLIPLIRSA-N	304.346	1.097	50	20	DDGD	
CC(C)Oc1ccccc1CC(=O)NNC(=O)[C@@H]1CCCCO1	833250842	MRMYSNAGBMEXOZ-HNNXBMFYSA-N	320.389	1.733	50	20	DDGD	
O=C(O)Cc1ccc(NC(=O)NNC(=O)c2ccccc2)cc1	833775201	BSBSWBTYHWWMHD-UHFFFAOYSA-N	313.313	1.780	50	20	DDGD	
CCO[C@@H](CNCc1ccc(B(O)O)cc1F)c1ccccc1	585038546	HUIACYLGQWBGDG-KRWDZBQOSA-N	317.169	1.373	50	20	DDGD	
C=CC(C)(C)CNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	836592419	QEFLXYPDBHHTJG-ZDUSSCGKSA-N	319.361	1.369	50	20	DDGD	
CN(C)CC#CCNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	913520202	IBIXQNSKYLQBLB-SGMGOOAPSA-N	313.239	1.621	50	20	DDGD	
COc1cc(CC(C)=NNC(=O)Cn2nc(C)cc2C)ccn1	834929599	QDJNXHNXPIKRJZ-UHFFFAOYSA-N	315.377	1.638	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCC[C@H]1CCOC1	836191450	FLVJIPZLRVTZPQ-ZDUSSCGKSA-N	305.378	1.756	50	20	DDGD	
COc1cc(F)c(S(=O)(=O)N2CC=C(C#N)CC2)cc1F	914343597	ZYKGRAUPLWBIMM-UHFFFAOYSA-N	314.313	1.818	50	20	DDGD	
C[C@@H]1C[C@@H](CCNC(=O)NNC(=O)[C@H]2CCCCO2)CCO1	836395638	WGZMVZQOXIQXHJ-FRRDWIJNSA-N	313.398	1.091	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1ccc(C)c(Br)c1	743250427	ZFHMRCCZGDRJPT-UHFFFAOYSA-N	321.196	1.477	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1ccc2c(c1)CCC(=O)N2	915959425	DJCGMJKXGPVBJF-UHFFFAOYSA-N	309.329	1.515	50	20	DDGD	
CS(=O)(=O)c1ccc(NC(=O)NNc2ncccn2)cc1	743805901	WPWOHVRYSMPOIC-UHFFFAOYSA-N	307.335	1.029	50	20	DDGD	
CC(C)NC(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc21	745012672	NVNIIHVXTMGAKN-UHFFFAOYSA-N	313.354	1.415	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccc(N(C)C)c1)c1ccco1	741516866	MRSVREQTSPBNRO-LLVKDONJSA-N	301.346	1.910	50	20	DDGD	
COc1cccc(C(=O)NNc2ncnc3[nH]cnc23)c1OC	740746898	WUQQYZLVEMTDGO-UHFFFAOYSA-N	314.305	1.127	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H](C)Cc1c(C)nn(C)c1C	742054172	XSMYWOCQUQTXJW-JTQLQIEISA-N	309.414	1.346	50	20	DDGD	
CCCNCCNC(=O)NNc1cccc(C(=O)OC)c1F	841961880	SJRXAZONZFSUSK-UHFFFAOYSA-N	312.345	1.238	50	20	DDGD	
COCc1ccccc1S(=O)(=O)NCCCSC#N	916985781	RFLSXMCMBUSHII-UHFFFAOYSA-N	300.405	1.716	50	20	DDGD	
C/C(=C/c1ccco1)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	846783800	DCFAMOBSUGILKE-UCQJPZFISA-N	312.391	1.175	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2ncncc2C1)Nc1ccccc1	843880123	JJZSSZWNRBOWRY-LLVKDONJSA-N	311.345	1.434	50	20	DDGD	
O=C(NNc1ncccc1Cl)[C@@H]1CCc2ncncc2C1	844134029	FPSGFXDUNKUEON-SECBINFHSA-N	303.753	1.773	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(OC2CCOCC2)cc1	910164400	YKITZOCLADMNOZ-GFCCVEGCSA-N	308.378	1.202	50	20	DDGD	
CC(=O)c1cccc(NC(=O)NNC(=O)CC(F)(F)F)c1	748820015	WTXKVFPLDCSSJF-UHFFFAOYSA-N	303.240	1.994	50	20	DDGD	
O=C(NCCCNC1CC1)NNc1ncnc2ccsc12	841918282	XCRUNWIHPSGIHQ-UHFFFAOYSA-N	306.395	1.460	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCc2nc(C)cs2)n1	746751536	RAEGYKQSFDYELI-UHFFFAOYSA-N	322.394	1.427	50	20	DDGD	
O=C(COCC(F)(F)F)NNC(=O)Cc1ccc(Cl)cc1	915618302	FRFNPIXVKWXQBP-UHFFFAOYSA-N	324.686	1.609	50	20	DDGD	
COC(=O)C12CC(C(=O)NNc3cc(F)c(F)cc3F)(C1)C2	843835049	RCRXPPHWTKZUKL-UHFFFAOYSA-N	314.263	1.890	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1COc2ccc(F)cc21	918151971	DRXOSZHVDGJSSJ-NSHDSACASA-N	321.352	1.007	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2CC[C@H](SC)C2)n1	746773523	XBCUPQVEXJJKBF-ZJUUUORDSA-N	311.411	1.704	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccccc1SCC#N	843971964	CWZHGEWXPFGLPQ-QWRGUYRKSA-N	319.386	1.488	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1ccc(Cl)cc1O	841638360	QHASUEJFTRKPPR-UHFFFAOYSA-N	310.785	1.727	50	20	DDGD	
CC1(C)Cc2cc(C(=O)NNC(=O)c3ncccn3)ccc2O1	843607003	RBADTPCPEZAFQJ-UHFFFAOYSA-N	312.329	1.265	50	20	DDGD	
Cn1c(NNC(=O)c2cnc3n2CCCC3)nc2ccccc21	848379439	ICELYBXGTGWFJZ-UHFFFAOYSA-N	310.361	1.863	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1ccc(-n2ccnc2)cc1	745602983	PZXAMXOWRAJYDC-UHFFFAOYSA-N	313.361	1.638	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H]1CCO[C@@H](c2ccccc2)O1	847346385	WDFZNLZAEJQKRR-TZMCWYRMSA-N	306.362	1.684	50	20	DDGD	
Cc1nc(CCCC(=O)NNC(=O)c2c[nH]nc2C)cs1	749984587	ZIGQOMUNKOHTKF-UHFFFAOYSA-N	307.379	1.267	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)[C@H]1C[C@H]2C=C[C@H]1CC2	842524368	BCMUOFDWHGSZDT-IGQOVBAYSA-N	310.419	1.516	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCCC(F)(F)F)cc1	743569650	ZMBQTXXIPBTYHO-UHFFFAOYSA-N	300.240	1.455	50	20	DDGD	
CN(C)C(=O)[C@@H](NNC(=O)[C@@H]1CCCCO1)c1ccccc1	842150623	IJGAJNUFOLTBNT-KBPBESRZSA-N	305.378	1.006	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)COc2ccc(F)cc2)s1	748697415	HLWMDGDJWQOVGP-UHFFFAOYSA-N	309.322	1.431	50	20	DDGD	
N#Cc1cccc(NNC(=O)C[C@@H](NC(N)=O)c2ccccc2)c1	748031369	UORMGNHNCXTJNF-OAHLLOKOSA-N	323.356	1.801	50	20	DDGD	
C[C@H]1OC(=O)N[C@@H]1C(=O)NNc1cccc(Cl)c1Cl	841443772	XOTPKIWUEPUJLS-ANLVUFKYSA-N	304.133	1.933	50	20	DDGD	
C[C@@H](CCCN)NC(=O)NNC(=O)CCCc1ccccc1	841999611	MHVRGYAOGCANPW-ZDUSSCGKSA-N	306.410	1.467	50	20	DDGD	
CCc1nc(C(=O)NNc2ccc(CC(=O)OC)cc2)co1	846378147	SMRCTEJUMZKYKU-UHFFFAOYSA-N	303.318	1.709	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NC2CC(F)(F)C2)cc1	845149710	BSILXZFZPCPETG-UHFFFAOYSA-N	313.304	1.826	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)C2CCCC2)c(F)cc1F	753364545	ZZCPNGXZTULVNK-UHFFFAOYSA-N	318.345	1.773	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1cc(C)cs1)[C@H]1CCCO1	858325054	YWKUQKXRWUHKPB-WDEREUQCSA-N	311.407	1.958	50	20	DDGD	
COC(=O)N1CC(NC(=O)NNc2cc(F)ccc2F)C1	921550314	UYUGRKWIVNCHFT-UHFFFAOYSA-N	300.265	1.042	50	20	DDGD	
COC[C@H](C)CS(=O)(=O)NC[C@]1(C)C[C@@H]1Br	856754235	DTKAHSIHJFEXDB-GUBZILKMSA-N	314.245	1.362	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)C(C)(C)C1CCOCC1)C1CC1	855097259	MVCNOBUMMRSYKA-SNVBAGLBSA-N	313.467	1.733	50	20	DDGD	
COCCCNC(=O)NNC(=O)COc1ccccc1C(C)C	920862503	LYYQRNRZDIAFSM-UHFFFAOYSA-N	323.393	1.556	50	20	DDGD	
CCc1nnc(NC(=O)NNC(=O)c2ccccc2O)s1	755404631	GYJJHHNTDDCPCW-UHFFFAOYSA-N	307.335	1.273	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2C1)OCC(F)(F)F	856025671	ZZBJTGPMTGCZPU-SECBINFHSA-N	318.251	1.557	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1O)Nc1cnns1	755334884	KDXXRQHIWWYRQQ-UHFFFAOYSA-N	313.726	1.364	50	20	DDGD	
Cc1nn(C)c(OCC(F)(F)F)c1C=NNC(=O)C(C)C	756824495	SOSOVYNYFJLVMX-UHFFFAOYSA-N	306.288	1.776	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)COC2)OCC(F)(F)F	856023967	CMESCXRXVYUNCR-UHFFFAOYSA-N	304.224	1.650	50	20	DDGD	
CN(C(=O)OC(C)(C)C)C(C)(C)C=NNC(=O)c1cc[nH]n1	853391717	AHBUHEGOYFQOQJ-UHFFFAOYSA-N	309.370	1.771	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H](C)c2nc(C)no2)c1	858282132	DTTKLUSSOCXZAE-ZETCQYMHSA-N	309.351	1.453	50	20	DDGD	
NC(=O)c1cccc(C=NNC(=O)NCCc2cccs2)c1	755669233	VGVDCCIAKNESMA-UHFFFAOYSA-N	316.386	1.723	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C1CCC1)c1ccc(S(C)(=O)=O)cc1	753300326	UBFDQOWTDYMOMW-SNVBAGLBSA-N	324.402	1.141	50	20	DDGD	
CN(C)CCc1ccc(C(=O)NNC(=O)CC(C)(C)C)cc1	857115361	GRJWDQZACSUNIM-UHFFFAOYSA-N	305.422	1.988	50	20	DDGD	
Cc1nc([C@@H]2CCCN(CCI)C2)n[nH]1	759383145	JRRULHITVFNYGW-SECBINFHSA-N	320.178	1.728	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](NC(=O)NC[C@]2(C)C[C@@H]2Br)C1	856917593	YLDJKHDXTVTLAP-NHRVJRKFSA-N	319.199	1.411	50	20	DDGD	
Cc1ccc(NNC(=O)c2cn(CC3(C)COC3)nn2)cc1F	856229993	DOFGSLXGQFWWFD-UHFFFAOYSA-N	319.340	1.519	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccccc1C(=O)NC(C)(C)C	756514930	AMDBZKVIQXCQQU-UHFFFAOYSA-N	322.365	1.014	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnn(C)c1C(F)(F)F	920822269	DGTPFBYNNXXNOE-UHFFFAOYSA-N	307.276	1.183	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNc2ccccc2S(C)(=O)=O)O1	757382427	OKPGUFXZQDSZJX-CMPLNLGQSA-N	312.391	1.491	50	20	DDGD	
Cc1ccc(Br)c(C(=O)NNC(=O)C(C)C)n1	929286344	CARXIIXBVSKJHQ-UHFFFAOYSA-N	300.156	1.570	50	20	DDGD	
Cc1cc2cc(NC(=O)NNC(=O)c3c[nH]nc3C)ccc2[nH]1	756393846	VJWNOCPSUZGFAY-UHFFFAOYSA-N	312.333	1.974	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NN=Cc2cn(C)nn2)c1C	755549474	AEJASVQTXMPYNM-GFCCVEGCSA-N	301.350	1.350	50	20	DDGD	
COCCN(C)NC(=O)[C@@H](C(=O)OC(C)(C)C)C1CCCC1	854409806	MIFRPGQHJOIFLZ-ZDUSSCGKSA-N	314.426	1.744	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Cc2ccc(C)o2)cc1	753890363	DDNXECPXDZDCCF-UHFFFAOYSA-N	302.330	1.665	50	20	DDGD	
CC(C)CO[C@@H]1CCN([C@H](C)C(=O)NNC(=O)CC(C)C)C1	759399922	HGYIFGQOQKGSLX-ZIAGYGMSSA-N	313.442	1.315	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)c2ccc(Cl)nc2)[C@H]1C	858556810	CUHDAFXJLBQPOA-APOZVJGGSA-N	311.769	1.556	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1	853683817	WGMBHHGGNLYCRK-UONOGXRCSA-N	322.384	1.623	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCn2ccnc2C1	855623081	VANNYBYEHTXKKO-SECBINFHSA-N	319.296	1.636	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2cc(C)on2)c1C	853482776	KGNUGRDFQDZVOT-UHFFFAOYSA-N	318.333	1.904	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc2occc2[nH]1	854283178	KXYUBKCWWRSDPD-UHFFFAOYSA-N	310.379	1.249	50	20	DDGD	
COC(=O)CCC(C)=NNC(=O)COc1ccccc1OC	756870274	JHGMIYJBXJIXBU-UHFFFAOYSA-N	308.334	1.519	50	20	DDGD	
Cn1cc(CC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cn1	750721440	ZOIFCWKJCUXWOJ-UHFFFAOYSA-N	314.389	1.721	50	20	DDGD	
Cc1nn(CC(F)F)c(C)c1C(=O)NNC(=O)c1ccncc1	760801401	SZAZFHMUPXMYBT-UHFFFAOYSA-N	323.303	1.235	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2c[nH]c3ccc(C#N)cc23)n[nH]1	760239236	IYPIKLSMTBTCFV-UHFFFAOYSA-N	306.329	1.764	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)N[C@@H]1CCOC[C@H]1O	863364104	WBNAXPBWFRPOTG-IJLUTSLNSA-N	305.465	1.967	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cnc(CC(C)C)nc1	931205260	JQIWWVCNSOKGCR-UHFFFAOYSA-N	303.366	1.631	50	20	DDGD	
COCC(=O)NN=Cc1csc(-c2ccc(OC)cc2)n1	761818014	QAJZIGQRQGVJDF-UHFFFAOYSA-N	305.359	1.915	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1cccc2nsnc12	861601699	ZYUUNTJQYMPCPJ-SNVBAGLBSA-N	321.362	1.413	50	20	DDGD	
Cc1cccc(NNC(=O)c2ccnc(N3CCCCC3)n2)n1	862523183	UCKVMYNSTFAQPG-UHFFFAOYSA-N	312.377	1.927	50	20	DDGD	
COCC(=O)Nc1ccc(NC(=O)NNc2cnccn2)cc1	769948456	SXEOVCVKBWEOFS-UHFFFAOYSA-N	316.321	1.210	50	20	DDGD	
Cc1cc(C)n(-c2cccc(NCc3ccc(B(O)O)cc3)c2)n1	864025855	PUVKZLHHMSSNKC-UHFFFAOYSA-N	321.189	1.781	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1cnc2ccsc2c1	863148737	JKQNGMGRKOHHCI-NSHDSACASA-N	302.359	1.415	50	20	DDGD	
CCOC(=O)N1CCC[C@H](C(=O)NN[C@H](C)C(F)(F)F)C1	862307421	KWZCFIZVYQEFBL-BDAKNGLRSA-N	311.304	1.427	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NOCC(F)(F)F	765984655	XXJBRYSVPCZSJW-UHFFFAOYSA-N	305.256	1.444	50	20	DDGD	
CC(=NNC(=O)c1cc(C)[nH]n1)c1ccc([S@](C)=O)cc1	764796280	DVIZITXZFKEKIA-NRFANRHFSA-N	304.375	1.610	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1cccc(OCC(C)C)c1	869912502	UOLXCRBOIJLEOZ-UHFFFAOYSA-N	324.377	1.145	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H]2CCn3cncc3C2)n1	764370106	CMHBVQYLEOYRSA-SECBINFHSA-N	306.757	1.341	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(NC(=O)OC(C)(C)C)nc1	861656830	BAFZJNRAWZKJCS-UHFFFAOYSA-N	324.381	1.652	50	20	DDGD	
COc1ncc(C(=O)NNc2cc(C#N)cc(Cl)n2)cn1	768715020	HKZUAIZYXMGZBT-UHFFFAOYSA-N	304.697	1.162	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1[nH]ccc1-c1ccccc1	1117787933	XPXJUWCOKKUKNH-UHFFFAOYSA-N	316.361	1.662	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2cnc3n2CCCC3)c1	862478520	ILAHGCNQDGQBJT-UHFFFAOYSA-N	304.375	1.664	50	20	DDGD	
CSc1cc(C)ccc1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1	861174072	GNCVBHBHLHKOKI-JTQLQIEISA-N	322.390	1.148	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)c1cnc(C)s1	761259504	VCKYCUDWYVBFLL-UHFFFAOYSA-N	322.415	1.783	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H](C)[C@@H](C)C2)c1	766989483	DWROJIOWHDVPJS-KGLIPLIRSA-N	303.406	1.734	50	20	DDGD	
CCNC(=S)NNC(=O)c1cc(-c2cc(C)ccc2C)[nH]n1	764496863	FTQCWXNBGIAYSO-UHFFFAOYSA-N	317.418	1.822	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2nc3ccccc3s2)CO1	873053600	LUFBDLGRBISFLH-RKDXNWHRSA-N	320.374	1.418	50	20	DDGD	
C[C@H]1Cc2cc(F)ccc2[C@@H](C)N1CC(=O)NNC(=O)C1CC1	769955587	ZUQFMEXOCZKYQF-WDEREUQCSA-N	319.380	1.691	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@]2(C)CCCCO2)cn1	874954966	GMNXFADGQWMIFJ-CQSZACIVSA-N	324.406	1.367	50	20	DDGD	
CCN[C@H](C)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	876659545	AEUUCINUQKMGKB-MRVPVSSYSA-N	309.757	1.831	50	20	DDGD	
COC(=O)c1cncc(C(=O)NNc2cc(C)nc(C)n2)c1	774317062	ZHPWSRYGCBEFBK-UHFFFAOYSA-N	301.306	1.032	50	20	DDGD	
CCN(CC)Cc1cccc(CNC(=O)NN(C)C(=O)OC)c1	875063626	HOGAXSRKSNMSLX-UHFFFAOYSA-N	322.409	1.941	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(C(=O)N(C)C)c(C)c1	878787844	IKUFTUIEBNWOPF-UHFFFAOYSA-N	308.382	1.312	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)/C=C/Sc1ccccc1	771912620	RFVIXNUZKGTETB-USKTWTLRSA-N	322.386	1.782	50	20	DDGD	
CCCc1nc(C)c(NC(=O)NNC(=O)c2c[nH]nc2C)s1	777014475	OMPUCJGTWJPRJV-UHFFFAOYSA-N	322.394	1.902	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2cnc(N(C)C)cn2)o1	779660147	GOUNBXBCNQCRLA-UHFFFAOYSA-N	315.337	1.283	50	20	DDGD	
COC(=O)CNC(=O)NN=CCCc1ccc2c(c1)CCO2	774409893	MZIJNLAHVCYMCF-UHFFFAOYSA-N	305.334	1.012	50	20	DDGD	
COC(=O)[C@H]1CN(S(=O)(=O)CCCCl)c2ccccc21	881883272	CJXIFUUBQYBWIG-NSHDSACASA-N	317.794	1.722	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)c3cccc4cc[nH]c34)nc21	770971899	BYVOLNAOOYYYAI-UHFFFAOYSA-N	323.316	1.307	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1O)Nc1ccncn1	770766089	TZGJLUIYVBPNFR-UHFFFAOYSA-N	307.697	1.302	50	20	DDGD	
Cc1nn(C)c(C(=O)OC[C@H](C)CBr)c1[N+](=O)[O-]	770360711	UHJJUJWBZHXOCM-ZCFIWIBFSA-N	320.143	1.825	50	20	DDGD	
COc1cc(C(=O)NNc2cc(F)c(F)c(F)c2)nn1C	773469860	UYIMHGWTKQDVSB-UHFFFAOYSA-N	300.240	1.603	50	20	DDGD	
CCn1ncc(Br)c1C(=O)NNC(=O)CC1CC1	1123894035	VSLPYUOACXOFFO-UHFFFAOYSA-N	315.171	1.227	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)Nc1ccccc1C)[C@H]1CCCO1	773545615	CDWZIINWDYDFAT-GXTWGEPZSA-N	316.361	1.512	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CCc1ccccc1OC	771893620	SXVQWEOKUNAYEY-NSHDSACASA-N	322.361	1.117	50	20	DDGD	
O=C(CCCOc1ccccc1F)NNC(=O)C1CCOCC1	883061921	LVJCDQJNCGNMGW-UHFFFAOYSA-N	324.352	1.559	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H]2CCC=CO2)c1	780760499	VDRFLGRIVFUODJ-ZDUSSCGKSA-N	305.334	1.792	50	20	DDGD	
COC(=O)c1cc(NC[C@]2(C)C[C@@H]2Br)ncn1	882645643	GXIORCXLHVZMJT-KWQFWETISA-N	300.156	1.849	50	20	DDGD	
COc1cccc(OCC(=O)NNc2cccc(OC)n2)c1	780770792	USTVNHNJADMPPI-UHFFFAOYSA-N	303.318	1.621	50	20	DDGD	
CN(Cc1ccc([S@](C)=O)cc1)S(=O)(=O)CCCCl	881969902	SOKPMGBWAXRNMB-SFHVURJKSA-N	323.867	1.815	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H](C)c2cncc(F)c2)n1	781953050	IDZRGNDDYLPRCI-VIFPVBQESA-N	320.328	1.715	50	20	DDGD	
COc1c(Br)cccc1C(=O)NN(C)[C@@H](C)CO	1123903434	MUTBJFDDOCZACC-QMMMGPOBSA-N	317.183	1.415	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2C[C@@H](OC)C2(C)C)c1	780839668	FREOOLRCTSMLQO-CHWSQXEVSA-N	321.377	1.913	50	20	DDGD	
CCc1cncc(C(=O)NNc2nc3ccccc3c(=O)n2C)c1	789950974	UUGRKWNYAYZFDU-UHFFFAOYSA-N	323.356	1.648	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1ccnn1CC(F)F	789922335	SHGCUDAJMHTKBZ-UHFFFAOYSA-N	322.315	1.542	50	20	DDGD	
COc1ccc(C=O)cc1OS(=O)(=O)CBr	782397485	PIAKMQZBFZTRST-UHFFFAOYSA-N	309.137	1.569	50	20	DDGD	
Cn1cnc(CNC(=O)NNC(=O)c2cc3c(s2)CCC3)c1	898633464	ABRXSJXNPWYVBC-UHFFFAOYSA-N	319.390	1.115	50	20	DDGD	
CCn1cc(CC(=O)NN=c2sc3ccccc3n2C)cn1	780308107	QOWPLETYTJPKIV-UHFFFAOYSA-N	315.402	1.631	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](C)N2CCSCC2)c1	780790952	CZCDZHYOEFFEIS-NSHDSACASA-N	323.418	1.354	50	20	DDGD	
C[C@H](NNC(=O)C[C@H]1NC(=O)c2ccccc21)C(F)(F)F	897877504	WOXBUKLMENYOND-OIBJUYFYSA-N	301.268	1.433	50	20	DDGD	
COc1ccc(NNC(=O)Nc2ccc(F)c(C(N)=O)c2)nc1	782012062	IMZXEMAWZAGWNP-UHFFFAOYSA-N	319.296	1.477	50	20	DDGD	
Cc1oc(S(N)(=O)=O)cc1C(=O)NNc1cccc(F)c1	798334769	QQJWTWSCINPLIY-UHFFFAOYSA-N	313.310	1.131	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	794604289	IMFMVCMWCIUQOY-UHFFFAOYSA-N	302.290	1.560	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccccc2CC(C)C)n[nH]1	790830512	QKMZTZOLESCEEE-UHFFFAOYSA-N	300.362	1.991	50	20	DDGD	
CO[C@@H](C(=O)NNc1oc(C(C)C)nc1C#N)c1cnn(C)c1	798938491	YBGVUBPMQKPMGV-LLVKDONJSA-N	318.337	1.234	50	20	DDGD	
CN(C)CCC(=O)NNC(=S)NCCCCC(F)(F)F	794966391	MIZAKZPKJUIGLW-UHFFFAOYSA-N	314.377	1.166	50	20	DDGD	
CC(C)[C@@H](O)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	794766974	OCNXFVVCMYGCCX-XWWZASNVSA-N	308.422	1.757	50	20	DDGD	
C[C@H](Oc1cccc(/C=C(/C#N)S(=O)(=O)N(C)C)c1)C(=O)O	794958354	LTDWMWCRWIHMTI-AAIQCTMTSA-N	324.358	1.294	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NCCSSC)nn1	794351939	WYDISECNDSDUCC-UHFFFAOYSA-N	302.381	1.396	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCO[C@@H](C(C)(C)C)C1	790426892	ORPPKQOOENQUSJ-QWHCGFSZSA-N	313.442	1.315	50	20	DDGD	
COC(=O)NNC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C	794900356	QHNGBSADSIRRGA-QMMMGPOBSA-N	301.343	1.019	50	20	DDGD	
O=C(NNc1cccc(F)n1)Nc1ccnn1C[C@@H]1CCOC1	1322854191	GAWVTXPSYMYESZ-JTQLQIEISA-N	320.328	1.602	50	20	DDGD	
CNS(=O)(=O)c1ccc(CC(=O)NNc2ccccc2)cc1	1320454724	QTONXWYQSDHDCS-UHFFFAOYSA-N	319.386	1.281	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNc2nncc(N)c2Cl)o1	1326310972	HITGYZUMCCHHHA-UHFFFAOYSA-N	310.745	1.718	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H](C)OCCc1ccccc1	1326412285	JDQUHCOFBRGDJS-GFCCVEGCSA-N	309.435	1.538	50	20	DDGD	
Cc1cc(NNC(=O)c2cnn(C)c2Br)ncn1	1325406704	QZNCIFOTASZDQP-UHFFFAOYSA-N	311.143	1.038	50	20	DDGD	
COC(=O)C(=O)NNC(=O)NCC[C@@H]1C[C@@H](C)CC(C)(C)C1	1324758966	NZDHTEHQPZVYIX-GHMZBOCLSA-N	313.398	1.342	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H]1COc2c(F)cc(F)cc2C1	1337518115	XETXUAIIQHVDHY-MQGYJPLLSA-N	308.284	1.828	50	20	DDGD	
O=C(Cc1c[nH]c2cnccc12)NNCC(F)(F)C(F)(F)F	1330246855	OZFJNQYEHBWSQR-UHFFFAOYSA-N	322.237	1.924	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H](C)c1cccc2ccccc12	1339818383	NMRISAITAFBKDF-JTQLQIEISA-N	315.329	1.404	50	20	DDGD	
O=C(NCCCCOc1ccccc1)NNC(=O)c1ccc[nH]1	1337480407	HQHVGPXJDOVBQF-UHFFFAOYSA-N	316.361	1.818	50	20	DDGD	
C[C@@H](CBr)COC(=O)Cn1cc(C2CC2)nn1	1255065230	FJNXPHJVAWIISF-QMMMGPOBSA-N	302.172	1.730	50	20	DDGD	
CC(=NNC(=O)C1CCOCC1)c1ccc(OCC#N)cc1	1330903377	LMRUQRVVAOYTTI-UHFFFAOYSA-N	301.346	1.856	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2nccc(Cl)c2F)cc1	1343129223	QVEROUQYDGYDHC-UHFFFAOYSA-N	323.711	1.958	50	20	DDGD	
Cc1cc(C(=O)NNc2nnc(C)c(O)n2)c(C(F)(F)F)o1	1342844568	XRHIABXZALQBNP-UHFFFAOYSA-N	317.227	1.563	50	20	DDGD	
O=C(CO[C@@H]1CCOC1)NNc1ccnc(Br)c1	1342839758	JQPIZFUFUIDPAQ-SECBINFHSA-N	316.155	1.093	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)/C=C\c2nccs2)c1	1346628943	ZCMXXJJSZUNCIC-WAYWQWQTSA-N	323.399	1.703	50	20	DDGD	
C[C@]1(NC(=O)NNc2cccc(F)c2Cl)CCOC1=O	1349780737	VOOYCWUWDNPTBM-LBPRGKRZSA-N	301.705	1.811	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N[C@@]1(C)CCOC1=O)c1ccccc1	1346990049	KIPNCQLMTOIOGG-INIZCTEOSA-N	319.361	1.000	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H]1F)c1ccc(Br)s1	1348433865	KBCMDFFJAPVTGG-WHFBIAKZSA-N	307.144	1.630	50	20	DDGD	
O=C(COc1ccc(O)cc1)NNc1cccc(F)c1C(=O)O	1601343699	MAXGBQDBEUPPLT-UHFFFAOYSA-N	320.276	1.752	50	20	DDGD	
O=C(O)C1(C(=O)NNc2nccnc2C2CCC2)CC=CC1	1605935701	QXMYGZHNWTXNHU-UHFFFAOYSA-N	302.334	1.608	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)C1(Br)CC1	1606861316	TUYPVCMHSLXUAN-UHFFFAOYSA-N	323.154	1.237	50	20	DDGD	
Cc1ccc(CNC(=O)NNc2ccc(CC(=O)O)cc2)nc1	1600416737	QXOQBDDMBTYBEF-UHFFFAOYSA-N	314.345	1.843	50	20	DDGD	
Cc1c[nH]cc(C(=O)NNc2ccc(CC(=O)O)cc2)c1=O	1600625705	NPTGSBHTJBGPJN-UHFFFAOYSA-N	301.302	1.067	50	20	DDGD	
O=C(O)c1ccc2[nH]cc(C=NNC(=O)[C@H]3CCCO3)c2c1	1608917674	ADEVYZFGZMVEBL-CYBMUJFWSA-N	301.302	1.495	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)Nc1cccc(C(=O)O)n1	1601555787	OPWDRIVXWCAGTF-UHFFFAOYSA-N	318.264	1.385	50	20	DDGD	
O=C(Cc1nc(C2CC2)cs1)NNc1ccc(C(=O)O)cn1	1608371929	YRKOFUNAOAFTOW-UHFFFAOYSA-N	318.358	1.800	50	20	DDGD	
Cn1nc(C(=O)O)cc1NC(=O)NNc1cccc(C#N)c1	1601004861	KFTPJVBCWKBHQO-UHFFFAOYSA-N	300.278	1.139	50	20	DDGD	
O=C(Cc1ccc(C(=O)O)nc1)NNc1cc(Cl)ccn1	1608361199	AKPZETYYQFIYBX-UHFFFAOYSA-N	306.709	1.514	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)c1ccc(CO)cc1	1601559829	BUZFGXOXKMFUPW-UHFFFAOYSA-N	304.277	1.773	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)Nc1ccnc(C(=O)O)c1	1605820921	LOUYHNRZHWKYSY-UHFFFAOYSA-N	307.697	1.977	50	20	DDGD	
O=C(O)CCCCC(=O)NNc1ccnc(Br)c1	1610767108	NXJIHICBJDAUMC-UHFFFAOYSA-N	316.155	1.932	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1c[nH]c(C(=O)O)c1	1610700799	WRFOQSNLLARFNL-UHFFFAOYSA-N	308.225	1.517	50	20	DDGD	
COc1ccsc1C(C)=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549321828	VGMDUXREDLXPJA-WCQYABFASA-N	323.418	1.460	50	20	DDGD	
O=C(NN=Cc1ccc2[nH]ccc2c1)[C@H]1CN2CCC[C@@H]2CO1	1549320295	LRCIYWVSSGJOCO-GDBMZVCRSA-N	312.373	1.481	50	20	DDGD	
CCc1cccc(F)c1C=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549318610	CNBMNRORZAYQIP-CZUORRHYSA-N	319.380	1.701	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)[C@H]2CC[C@@H](C3CC3)N2)c1	1579351831	WIEJEYCXRRWGDA-UONOGXRCSA-N	323.418	1.064	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C2=CCCNCC2)c(C)c1	1579722500	DZBOOVBBGXJBLL-UHFFFAOYSA-N	318.446	1.931	50	20	DDGD	
O=C(NNC(=O)C1(Cc2cccc(F)c2)CCC1)[C@@H]1CCN1	1580732420	CFSIRNCUOWEUNJ-ZDUSSCGKSA-N	305.353	1.048	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1ccc2c(c1)NCC2	1580570217	RGHGOIVSFGCSHK-UHFFFAOYSA-N	313.332	1.797	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)c1ccc(F)c(-c2nn[nH]n2)c1	1589582455	VFXKRIYSBLUCOX-UHFFFAOYSA-N	320.328	1.203	50	20	DDGD	
N#Cc1cccc(NNC(=O)Cc2cccc3c2CCNC3)c1	1580077867	BOIWSEIFKMKSCX-UHFFFAOYSA-N	306.369	1.890	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc(CCC(=O)O)c1	1589908682	KXZAEYIASUPESS-UHFFFAOYSA-N	308.338	1.402	50	20	DDGD	
CCC(=O)N1CCCC12CN(C(=O)[C@@H](F)Br)C2	1842635714	JNGOHJKOAWYUQL-SECBINFHSA-N	307.163	1.290	50	20	DDGD	
C[C@]1(CNC(=O)NNc2ccc(C(=O)O)c(F)c2)CCCO1	1594020575	UEGFFRSMBFPCHX-CQSZACIVSA-N	311.313	1.719	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)CC(F)(F)F)C1	1842804744	RBBDCVKCVYOBEG-QMMMGPOBSA-N	316.682	1.677	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(C(=O)O)c1F)[C@@H]1CCCNC1	1593101863	LXSYRWZAMGIHKU-VHSXEESVSA-N	324.356	1.538	50	20	DDGD	
O=C(Cc1cncs1)NNc1ccc(-c2nn[nH]n2)cc1	1592929450	SQBMNEPTDOROMB-UHFFFAOYSA-N	301.335	1.009	50	20	DDGD	
C[C@@]1(COC(=O)[C@H]2CC[C@@H](C(=O)O)O2)C[C@H]1Br	1594036293	GCFQMTKRCPQNTI-RFOGZPIASA-N	307.140	1.335	50	20	DDGD	
CN(C)Cc1ccc(C(=O)NN=Cc2ccc(C(=O)O)[nH]2)cc1	1776109397	HDGQYHWOWCVJBF-UHFFFAOYSA-N	314.345	1.538	50	20	DDGD	
CC(=NNC(=O)c1ccc(C(=O)O)cc1)c1cnc(C)nc1C	1776099322	ADICUOXYRDKIES-UHFFFAOYSA-N	312.329	1.946	50	20	DDGD	
O=C(Cc1cn2ccsc2n1)NN=Cc1c[nH]c(C(=O)O)c1	1776020108	OMRUABSOLWMUEB-UHFFFAOYSA-N	317.330	1.115	50	20	DDGD	
CC(=O)N/C(=C\c1ccccc1)C(=O)NNC(=O)c1ccccc1	8350125	ZFVBJHUVCNKCMM-VBKFSLOCSA-N	323.352	1.625	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)Sc2ccccn2)o1	152540273	SPMOJNAQVNJVDU-SNVBAGLBSA-N	305.359	1.925	50	20	DDGD	
O=C(NNc1ccccc1F)[C@H]1CCCN(C(=O)C2CC2)C1	153105338	FATDHLIQOVHNGK-LBPRGKRZSA-N	305.353	1.917	50	20	DDGD	
COc1ccsc1C(=O)NNC(=O)Cn1nc(C)cc1C	106009904	FAPPDYUUCNVMJG-UHFFFAOYSA-N	308.363	1.031	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H](C(C)C)N(C)C)cc1	106901522	RFMMEXSWPHZNNP-OAHLLOKOSA-N	307.394	1.107	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1cccc2c1OCCO2	54802091	UEJZZBNUCOELGR-JLHYYAGUSA-N	302.330	1.517	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)c2ccc(C#N)cc2)cn1	111481908	XDROXRMMJMMGSQ-UHFFFAOYSA-N	323.356	1.448	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(=O)[nH]c3cc(F)ccc23)ncn1	172404750	NGOIVPODBJQGRA-UHFFFAOYSA-N	313.292	1.523	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)NC2CCCC2)cc1	65920877	OEQCCGMGWQSDBW-DHZHZOJOSA-N	303.362	1.981	50	20	DDGD	
CCN1CCC[C@H]1CN(C)C(=O)NNC(=O)c1ccc(C)s1	177436461	ZCSBULUSUWLQHB-LBPRGKRZSA-N	324.450	1.827	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H]1C[C@@H]1C(=O)OC)c1ccccc1	110341332	MYEPDPXFYXPTMS-UPJWGTAASA-N	304.346	1.137	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCOc2ccccc21	110761306	RRCVNBSOFIMLRC-NSHDSACASA-N	300.318	1.045	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNc2cccc(C#N)c2)c1	119424385	NLRDRBGUUXQDMT-UHFFFAOYSA-N	310.313	1.649	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)Cc1ccc(OC)c(C)c1	111219114	CYZNMKZISZTGEK-LBPRGKRZSA-N	307.394	1.381	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(-n2cncn2)c(F)c1	178958409	YEMVJDFCZWGURW-JXMROGBWSA-N	301.281	1.789	50	20	DDGD	
C[C@]1(C(=O)N2CCc3nnc(O)cc3C2)C[C@H]1Br	1262171840	IQNRQLFWHPIIOT-SKDRFNHKSA-N	312.167	1.240	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNC(=O)CSc1ccc(C)cc1	119781404	KZIAPWPCERODEX-HNNXBMFYSA-N	310.419	1.786	50	20	DDGD	
CCN(C)[C@@H](C(=O)NNC(=O)NCCCOC)c1ccccc1	68308026	HMHFQDCQADRMEH-CQSZACIVSA-N	322.409	1.046	50	20	DDGD	
C[C@@H]1CCCN1C(=O)NNC(=O)Cn1ccc2ccccc21	176483074	XFLBWCBQQRMMEM-GFCCVEGCSA-N	300.362	1.866	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C)C(=O)NCc1ccccc1	178959914	URXSXAGORHJSRE-SLQMCABGSA-N	301.346	1.251	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)Cc1nc2ccccc2n1C)C1CC1	63589382	MITLDBKMUIXMOK-NSHDSACASA-N	314.389	1.699	50	20	DDGD	
COC(=O)C(=O)NN=C1CCCCc2cc(OC)c(OC)cc21	1261895055	SYRHNVPWMZNXPC-UHFFFAOYSA-N	320.345	1.424	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cc2ccc(C)nc2)nc1	179791728	UHKHZKDMKIFINV-UHFFFAOYSA-N	300.318	1.257	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cn(Cc2ccccc2)nn1	122545626	WINYZQKRFHVWAP-UHFFFAOYSA-N	313.296	1.012	50	20	DDGD	
C[C@H]1CCN(C(=O)NNC(=O)c2cccc(C#N)c2)C[C@H]1C	127054255	HVWCWRBNBVIZDP-NWDGAFQWSA-N	300.362	1.891	50	20	DDGD	
COc1cc(C)ccc1NC(=O)NNC(=O)c1cccnc1	184551842	CAUKEWJJCGKGIE-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
CNC(=O)CN1CCC(NC(=O)c2cccc(CCl)c2)CC1	315447711	GQTXHPLZECSSJK-UHFFFAOYSA-N	323.824	1.366	50	20	DDGD	
CC(C)c1ncc(C(=O)NNc2ncnc3nc[nH]c23)s1	127096092	XTPLIWJWBWIUMK-UHFFFAOYSA-N	303.351	1.690	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1cc(C)ccc1Br	123797557	RGFOWZMGNPYOFS-UHFFFAOYSA-N	323.168	1.307	50	20	DDGD	
CC(C)c1ccc(N2CC[C@@H](C(=O)NN(C)C(N)=O)C2=O)cc1	182656715	LQYVPZVJCIRMBE-ZDUSSCGKSA-N	318.377	1.205	50	20	DDGD	
COC1CCC(CC(=O)NNC(=O)NCC(F)(F)F)CC1	120658009	HGMIFJMFPQXKTG-UHFFFAOYSA-N	311.304	1.474	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1cnn(CC2CC2)c1	186296178	IWQWRKROPJWKMI-UHFFFAOYSA-N	300.322	1.155	50	20	DDGD	
CN(C)N(C(=O)C[C@@H]1C=CCCC1)[C@@H]1CCS(=O)(=O)C1	186248638	DMJYRNMNJQRZAJ-CHWSQXEVSA-N	300.424	1.225	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)on1	71096515	JHAXKHVJTJCSOS-UHFFFAOYSA-N	305.309	1.941	50	20	DDGD	
Cc1cc(F)cc(NC(=O)C(=O)NNc2nc(C)cc(C)n2)c1	185581154	KUBWPYBZIFFKCG-UHFFFAOYSA-N	317.324	1.623	50	20	DDGD	
CC(C)OCCNC(=O)NNC(=O)c1cccc(N(C)C)c1	184170699	REFPLOCNUZCGLR-UHFFFAOYSA-N	308.382	1.122	50	20	DDGD	
O=C(NNc1cccnn1)N[C@H](CCCO)c1ccccc1	77881625	ZQCUBQQRNKYQCJ-CYBMUJFWSA-N	301.350	1.617	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cccc(OCC(F)F)n1	89605195	RUNYUDQNJKAZFT-UHFFFAOYSA-N	324.287	1.139	50	20	DDGD	
N#CCSc1ccccc1C(=O)NNC(=O)NCC1CC1	139376007	DVUHRRBSRWEQLR-UHFFFAOYSA-N	304.375	1.656	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCC(=O)Nc1cccc(CC)c1	194741252	NPVCXELNMSCWFR-JLHYYAGUSA-N	301.346	1.748	50	20	DDGD	
CSC1(CNC(=O)NNC(=O)CCc2ccccc2)CC1	195160483	HNFNQIOLSODXRF-UHFFFAOYSA-N	307.419	1.845	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)[C@@H]1CC(c2cccnc2)=NO1	192236609	LUQULKYIQUVHNZ-AWEZNQCLSA-N	316.361	1.302	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)NC1CCCCC1	42084295	YXIOVNZAYZMBND-UHFFFAOYSA-N	309.341	1.868	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)Cc2ccc(C#N)cc2)c1	194709347	ORXRTFKUOZOCPH-UHFFFAOYSA-N	322.368	1.628	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCC2)NNc1nc2ccccn2n1	191919712	RRFIUOZBAMXMSN-UHFFFAOYSA-N	307.357	1.904	50	20	DDGD	
Cc1ccc(C)c(OCCC(=O)NNC(=O)c2ccc[nH]2)c1	96953549	SBLGJGGGNOVHNP-UHFFFAOYSA-N	301.346	1.862	50	20	DDGD	
O=C(CCc1nc(-c2cccs2)no1)NNC(=O)C1CCC1	264758313	MJZLWCYRGRDSQK-UHFFFAOYSA-N	320.374	1.678	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc2c(c1)OCO2)C1CC1	263882921	JZFRIXJVRWJFNA-MRVPVSSYSA-N	307.375	1.323	50	20	DDGD	
Cc1cc(-n2c(C)cc(C(=O)NNC(=O)C3CCC3)c2C)no1	264674895	HROFAMPTVBBECU-UHFFFAOYSA-N	316.361	1.952	50	20	DDGD	
COCCOCCCNC(=O)NNc1cccc([N+](=O)[O-])c1	264249676	YPQUDUWBBCPPCI-UHFFFAOYSA-N	312.326	1.274	50	20	DDGD	
CC(C)N(C)S(=O)(=O)NNC(=O)c1cc2ccccc2o1	267413851	JKRKAROIWMJIRC-UHFFFAOYSA-N	311.363	1.252	50	20	DDGD	
CNC(=O)NNC(=O)Nc1cc(Cl)c(OC)cc1OC	266275138	DHAKBSQYTRCNOL-UHFFFAOYSA-N	302.718	1.323	50	20	DDGD	
COCCCNC(=O)NNC(=O)CSc1ccc(C#N)cc1	264051856	BGTCSCWRSBBKHM-UHFFFAOYSA-N	322.390	1.017	50	20	DDGD	
N#CC1=CCN(C(=O)CCNC(=O)c2ccc(F)cc2)CC1	272671469	KTSKVANXSWKZPT-UHFFFAOYSA-N	301.321	1.628	50	20	DDGD	
CC1(C)CCC[C@H]1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	274593530	IRFZGTVCMNMLCA-FZMZJTMJSA-N	318.373	1.800	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](O)CCc2ccccc2)s1	271101434	XWRLSAJVTJBNCZ-CYBMUJFWSA-N	318.398	1.811	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)C[C@H](O)CO)c1C	273918482	USEBSRGRKSDJBE-AHQMPEJBSA-N	319.405	1.234	50	20	DDGD	
CC[C@H]1C[C@@H](CC(=O)NNC(=S)Nc2ccccn2)CCO1	273069474	FIUQRBCJUWVOJT-RYUDHWBXSA-N	322.434	1.995	50	20	DDGD	
CCOC[C@H](NC(=O)NNc1nc2ccccn2n1)C(C)C	276678379	FCLLLOJOTPSISK-NSHDSACASA-N	306.370	1.417	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1cccc(OC(F)(F)F)c1	272663179	IFEWBYDXWXZJAY-UHFFFAOYSA-N	319.283	1.820	50	20	DDGD	
CCn1ccnc1C(=O)NNC(=O)c1cccc(N(C)C)c1	279267286	USQVMTRVURLHAV-UHFFFAOYSA-N	301.350	1.044	50	20	DDGD	
COc1cccc(NNC(=O)NCCC(=O)OC(C)(C)C)n1	272631003	XYVHMQSBXQTROD-UHFFFAOYSA-N	310.354	1.448	50	20	DDGD	
CSSCCNC(=O)N[C@H]1COc2ccccc2[C@@H]1O	368250141	BLYDOIGLSPALJO-JQWIXIFHSA-N	314.432	1.791	50	20	DDGD	
Cc1c(C(=O)NNc2ccncc2)nnn1CC1CCCC1	279672974	GSSDMZOUUBCBQA-UHFFFAOYSA-N	300.366	1.929	50	20	DDGD	
Cc1cccc(F)c1S(=O)(=O)NNC(=O)NC1CCCC1	274728763	HUWCWXCJSOCKFC-UHFFFAOYSA-N	315.370	1.569	50	20	DDGD	
Cc1nnccc1C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	1344706490	MBUNQSLAZVMMFZ-UHFFFAOYSA-N	314.349	1.318	50	20	DDGD	
O=C(NNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CCC1	272537418	NHAGFQRSSPNHGW-UHFFFAOYSA-N	313.260	1.634	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc(C(C)(C)C)on2)n1	279768044	GWINFZWDTYYMIX-UHFFFAOYSA-N	302.334	1.750	50	20	DDGD	
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NNC(=O)c1ccccc1	281328233	JDUJJNZMJGXUKD-ZIAGYGMSSA-N	303.362	1.612	50	20	DDGD	
O=C(NNC(=O)c1occ2c1CCOC2)c1ccc(Cl)nc1	375644155	VEDMSJAQPIGFSP-UHFFFAOYSA-N	321.720	1.476	50	20	DDGD	
COc1ccc(NNC(=O)NCc2noc3c2CCCC3)nc1	288695973	WAQHZUFALDGFSA-UHFFFAOYSA-N	317.349	1.783	50	20	DDGD	
O=C(NC[C@H]1CCCN1C1CCCCC1)NNc1cccnn1	281658682	XQNLSENTYOSNIA-CQSZACIVSA-N	318.425	1.900	50	20	DDGD	
O=C(CCc1cnccn1)NNc1ccc(C(F)(F)F)nn1	281185631	MEVUAKXRDFQQNR-UHFFFAOYSA-N	312.255	1.361	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H](C2CC2)C(F)(F)F)n1	288459611	VWOWHZPXVRGEQB-SNVBAGLBSA-N	316.283	1.675	50	20	DDGD	
COCCCn1ccc(NC(=O)NNc2cccc(F)n2)n1	287356500	RRIQTLQJABPMNR-UHFFFAOYSA-N	308.317	1.602	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2cccn2C)n(C)c1C	800809455	PHSHNTQOWVCOIZ-UHFFFAOYSA-N	302.334	1.223	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCN(C)CCOC)cc1	297771818	UINPXGJBLMMAPD-UHFFFAOYSA-N	310.398	1.290	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@H](c1cccc(F)c1)N(C)C	298643870	HRXYLWWYWZGKBW-CQSZACIVSA-N	324.400	1.805	50	20	DDGD	
Cn1cc(C(=O)NNc2cccc(F)n2)c2ccccc2c1=O	804768708	RCXHKDLDXBFDBP-UHFFFAOYSA-N	312.304	1.830	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N=c2cc[nH]cc2)cc(Cl)n1	802022515	BROAGSOVVUNVCE-UHFFFAOYSA-N	305.725	1.327	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Cn1ccc(C(F)(F)F)n1	298320447	ZPMIBNXZMSBXRD-UHFFFAOYSA-N	308.260	1.458	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(F)c2ccccc12	294581348	HQOSXCZCAMKFCF-AWEZNQCLSA-N	302.305	1.919	50	20	DDGD	
Cc1noc(CCCNC(=O)NNc2cccc(Cl)n2)n1	292602754	HKTFBKBDDDMEFQ-UHFFFAOYSA-N	310.745	1.685	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C[C@@H]2CCC(=O)[C@H]2C)cc1	802058925	BCDHZBXSWLDLSS-QWRGUYRKSA-N	319.361	1.853	50	20	DDGD	
C[C@@H]1COCC[C@H]1CNC(=O)NNC(=O)CCc1ccccc1	805821174	FQFMLNLCRCTBQZ-HIFRSBDPSA-N	319.405	1.622	50	20	DDGD	
O=C(CC[C@H]1CCCN1)NNc1nc(-c2cccnc2)no1	292178434	WQMWYLWSYKVRHD-LLVKDONJSA-N	302.338	1.107	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2C[C@@H]2C2CC2)cc1	801108327	GOMSIXMZVCMPBB-CHWSQXEVSA-N	301.346	1.127	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)Nc1cccc2c1COC2=O	808911750	BKQKNLYEUZHPBW-UHFFFAOYSA-N	319.708	1.949	50	20	DDGD	
CCOC1CC(CC(=O)NNC(=O)C(C)(OCC)OCC)C1	807371467	NEAVOKJTMDQWJU-UHFFFAOYSA-N	316.398	1.128	50	20	DDGD	
Cn1ncc(C=NNC(=O)Nc2ccc(C(=O)O)cc2)c1Cl	814859507	QWVHTJNDIUBTSC-UHFFFAOYSA-N	321.724	1.927	50	20	DDGD	
Cc1ccc(NNC(=O)NCC[C@]2(O)C[C@H]3CC[C@H]2C3)nn1	813787378	FHEXQSRXACBSJK-HUBLWGQQSA-N	305.382	1.352	50	20	DDGD	
O=C(NNc1ncccn1)[C@@H]1CCO[C@@H](c2ccccc2)O1	816849391	YAOJCVHCNFIIAT-GXTWGEPZSA-N	300.318	1.424	50	20	DDGD	
CCCCn1nc(C(=O)NN=C2COC2)c2ccccc2c1=O	814742040	CMQHSWUISTYYCX-UHFFFAOYSA-N	314.345	1.313	50	20	DDGD	
Cc1nnsc1C=NNC(=O)Cn1c(C)nc2ccccc21	814216092	YKJHFDJUAGPCLM-UHFFFAOYSA-N	314.374	1.655	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=C(C)Cn1cccn1	814743760	KGRDBVKXWFXBLF-UHFFFAOYSA-N	324.388	1.988	50	20	DDGD	
COCCC(C)=NNC(=O)c1cc(OC)c(OC)c(OC)c1	814698581	KHJBZMFCIKMSFU-UHFFFAOYSA-N	310.350	1.855	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1ccc(-n2ccnc2)nn1	817008076	CRUOMZKTHUQKEM-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
COc1cccc(NNC(=O)c2cc(Cn3cccn3)on2)n1	816014341	VNGFUATZPVBYGL-UHFFFAOYSA-N	314.305	1.080	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccc(Cn2ccnc2)cc1	817080714	BQVHXDILVBPFFM-UHFFFAOYSA-N	312.308	1.617	50	20	DDGD	
Cc1nc(CNC(=O)NNC(=O)c2cccc(C#N)c2)cs1	728947610	OINQHEMIGYLPMS-UHFFFAOYSA-N	315.358	1.467	50	20	DDGD	
CCN(CCO)NC(=O)c1cccc(NC(=O)c2ccco2)c1	823852984	WDALMHGPDWUOAW-UHFFFAOYSA-N	317.345	1.491	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1	824403760	AFSCALCGPRIRBL-MGCOHNPYSA-N	314.386	1.029	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1	824019594	HQKGIBIRXSLMLE-UHFFFAOYSA-N	322.328	1.826	50	20	DDGD	
CS[C@@H]1CC[C@H](NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)C1	826097717	IPHJPZFVONRUCR-MMWGEVLESA-N	301.412	1.026	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C)[C@@H]1CCCc2ccccc21	827294939	XOPRRBYQPSSCAK-OAHLLOKOSA-N	303.406	1.799	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCCc1ccccc1	825525868	JYLYLHYFOWJWAA-TZMCWYRMSA-N	305.378	1.375	50	20	DDGD	
COc1nccnc1NNC(=O)[C@]1(c2ccccc2)CCCO1	822872366	WBQPVYJFWAWYHQ-MRXNPFEDSA-N	314.345	1.634	50	20	DDGD	
CCCC[C@H]1CCCC1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	727256356	YOOLOAVSHWTWKZ-NWDGAFQWSA-N	315.439	1.819	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(Br)cc1OC	823856457	SGBFFSUELNINGR-UHFFFAOYSA-N	317.183	1.417	50	20	DDGD	
O=C(NCC1SCCS1)NNc1ncc(F)cc1F	823383574	QYQQIUSOJJRYBZ-UHFFFAOYSA-N	306.363	1.792	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)nc(N)n1	828555985	ZKYJMSYDEXYCGP-WDEREUQCSA-N	319.315	1.892	50	20	DDGD	
CC(C)[C@H](C)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	494337647	YXSGGQUKRCFGGL-NSHDSACASA-N	315.414	1.731	50	20	DDGD	
O=C(/C=C\C1CCOCC1)NNC(=O)c1cccc([N+](=O)[O-])c1	491866993	MEKLQGHKCUBMBG-PLNGDYQASA-N	319.317	1.339	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2C[C@@H](O)C[C@@H](C)C2)cc(C#N)n1C	491129222	GFVCJWGDPLVHGP-ITMRBUEUSA-N	312.373	1.341	50	20	DDGD	
C[C@H](CNC(=O)OC(C)(C)C)C(=O)NNC(=O)C1CCCC1	496502007	SVHKQJLWKARTHN-SNVBAGLBSA-N	313.398	1.485	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1	828275976	JQDYCPAGKCRFKT-VXGBXAGGSA-N	312.486	1.888	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cn1	491054101	ZSPYYBZWAPTRJX-HHBAYHCQSA-N	312.373	1.401	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccccc1CC(C)(C)C	827869593	FSMRSIIIDGJDNH-UHFFFAOYSA-N	322.405	1.699	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cccc(Cl)n1)N1CCCCC1	827635967	SUHRQNBJGSSHHP-UHFFFAOYSA-N	324.812	1.761	50	20	DDGD	
C[C@@]1(C(=O)NCC(=O)Nc2ccccc2)C[C@@H]1Br	906332949	IGKUEVXFQNRZKL-GXFFZTMASA-N	311.179	1.915	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@H](OC)C2CCCCC2)n1	823679192	QRBQMADETBHCRA-GFCCVEGCSA-N	323.397	1.707	50	20	DDGD	
C#CCCCC(=O)NN=Cc1c(C)nn(CCC(=O)OC)c1C	901324670	YBPKRNYYYWYMDN-UHFFFAOYSA-N	318.377	1.317	50	20	DDGD	
COc1ccc2c(c1)N(CC(=O)NNC(=O)C(C)C)CCCC2	828371367	BPRQJFBSWGCARC-UHFFFAOYSA-N	319.405	1.641	50	20	DDGD	
OB(O)c1ccc(CN[C@H](c2cccnc2)C2CCCCC2)o1	585020031	MSUAIPPWALWLCL-KRWDZBQOSA-N	314.194	1.766	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccc(F)c(-c2nn[nH]n2)c1	826160400	QIXGEYOUSQOPPT-POHAHGRESA-N	317.280	1.102	50	20	DDGD	
C[C@@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)NNC(=O)C2CCC2)C1	732453358	CRGILIUVMZNCDZ-JHJVBQTASA-N	310.442	1.483	50	20	DDGD	
COCCOc1cccc(NCc2ccc(B(O)O)cc2)c1	585011848	FMXXSOFLUVEKOG-UHFFFAOYSA-N	301.151	1.004	50	20	DDGD	
CN(C)C(=O)[C@@H]1CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1	491044226	BQZAOJMODWPXCC-CKXDQPNJSA-N	315.348	1.669	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)Nc1ccc2c(c1)OCO2	491668103	VSQVMEFDZWYXMS-UHFFFAOYSA-N	311.301	1.401	50	20	DDGD	
O=S(=O)(CCl)N[C@H]1CCN(c2ccc(F)cc2F)C1	830419436	UPHDRYHINSWQQE-VIFPVBQESA-N	310.753	1.659	50	20	DDGD	
COc1cccc2c1OCC[C@H]2NC(=O)NNC(=O)C1CCC1	732244695	JISFMILMQNYGML-GFCCVEGCSA-N	319.361	1.649	50	20	DDGD	
CCCc1nc(C)c(NC(=O)C(=O)NNC(=O)OCC)s1	495567608	WRQQLJCIMJVPJX-UHFFFAOYSA-N	314.367	1.120	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)/C(F)=C(/C)C1CC1	908067218	AHYBNWRBAOLEFS-PKNBQFBNSA-N	302.346	1.577	50	20	DDGD	
COc1cc(NCc2ccc(B(O)O)o2)ccc1OC(C)C	585036488	LATBLTSQAHYYIN-UHFFFAOYSA-N	305.139	1.367	50	20	DDGD	
CCn1ccnc1C(C)=NNC(=O)[C@H](C)CN1CCCCC1	834935566	TXUMOWFCKXXFDA-CYBMUJFWSA-N	305.426	1.865	50	20	DDGD	
C=C[C@@H]1OCCC[C@H]1NC(=O)NNC(=O)CCc1ccccc1	836615769	SFWLUTGTLUZSSK-CABCVRRESA-N	317.389	1.683	50	20	DDGD	
C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CCC[C@H]1c1ccccc1	732532712	NVCRGXAEOWDYEO-YPMHNXCESA-N	323.418	1.364	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2CC(C)(C)C[C@H]2C)n1	839660257	KKYSMNJKHTXMQQ-LLVKDONJSA-N	324.450	1.262	50	20	DDGD	
Cc1cc(NNC(=O)c2cccc(Cn3ccnc3)c2)ncn1	734253622	ONQHYJCFWLQBTF-UHFFFAOYSA-N	308.345	1.787	50	20	DDGD	
C[C@@]1(C(=O)NN2Cc3ccccc3C2=O)C[C@@H]1Br	907292384	RJZFDCNHNHOKSG-GXFFZTMASA-N	309.163	1.847	50	20	DDGD	
CN(C)CCOc1cccc(NC(=O)NNc2ccncn2)c1	836291097	UQWRHHGUYCBDMW-UHFFFAOYSA-N	316.365	1.566	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCc1cocn1	730913924	YMPSZGYFLIIXQU-VIFPVBQESA-N	322.296	1.112	50	20	DDGD	
C[C@H]1CCc2c(sc3ncnc(N4CC[C@@H](B(O)O)C4)c23)C1	585073066	IADBRZWACPAWOF-VHSXEESVSA-N	317.223	1.869	50	20	DDGD	
CCOC(=O)[C@@]1(NS(=O)(=O)CCl)CCc2ccccc21	830519498	HITPEALNVHPUNG-CYBMUJFWSA-N	317.794	1.507	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNC(=O)CCOc1ccccc1	737820945	MRSHJSUATUTDKT-AWEZNQCLSA-N	305.378	1.087	50	20	DDGD	
CC(C)(C)OCc1cccc(CNCc2ccc(B(O)O)o2)c1	585020684	FZYDKTZZKDAZDA-UHFFFAOYSA-N	317.194	1.564	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)n1ccnc1	917371444	QBPDXUWXAAMEMA-SNVBAGLBSA-N	317.305	1.204	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1c(C(F)F)nc2n1CCCC2	910181511	BVMBFBVKXNFJHW-MRVPVSSYSA-N	302.325	1.114	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H](C(C)C)N(C)C)cc1OC	730271551	BCLLDPKGIYYEEN-AWEZNQCLSA-N	323.393	1.051	50	20	DDGD	
N#Cc1ccc(NNC(=O)C[C@H]2CC(=O)N2)cc1C(F)(F)F	830805789	DAKCUFBRFRLBNR-SECBINFHSA-N	312.251	1.299	50	20	DDGD	
O=C(O)c1ccc2c(C=NNC(=O)[C@@H]3CCCCO3)n[nH]c2c1	834984356	ALKAUJIBUQIOSN-ZDUSSCGKSA-N	316.317	1.280	50	20	DDGD	
Cc1ccc(C2=NO[C@H](CNS(=O)(=O)CCl)C2)cc1C	831404867	XENJFPZCHVXYJI-LBPRGKRZSA-N	316.810	1.912	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCCO1)c1cccc(-n2cnnc2)c1	834985401	LMENXZHJBXNTDE-OAHLLOKOSA-N	313.361	1.677	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CSC1CC1	837873680	AISJFRCHGJBWCK-VIFPVBQESA-N	302.396	1.007	50	20	DDGD	
CCC(=NNC(=O)c1ccc2c(c1)OCCO2)[C@H]1CCOC1	741847187	HUMKZLXTTBQZNM-LBPRGKRZSA-N	304.346	1.990	50	20	DDGD	
Cc1ccc(S(=O)(=O)NCCCSC#N)cc1N(C)C	916979465	MRDCLBGQDVZEHK-UHFFFAOYSA-N	313.448	1.944	50	20	DDGD	
NC(=O)c1ccc(C=NNC(=O)Cn2cnc3ccccc32)cc1	915943415	CIARDNXBSCWCIQ-UHFFFAOYSA-N	321.340	1.286	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@H]1NCCc2ccccc21	841998747	UXURQYHNSZJOGO-AWEZNQCLSA-N	304.394	1.250	50	20	DDGD	
O=C(NNC(=S)NCC1CC1)c1cccc2cccnc12	849255943	JVOQMNGJYVFPFR-UHFFFAOYSA-N	300.387	1.754	50	20	DDGD	
C[C@@H]1Cc2cc(C(=O)NNC(=O)NCC(F)(F)F)ccc2O1	847117501	VZLNDRABKKCABT-SSDOTTSWSA-N	317.267	1.516	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C(C)c2cncnc2C)c1	848400479	HXAZXKCINWBPOT-UHFFFAOYSA-N	314.345	1.956	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=Cc2cccc(O)c2)c1	915052421	WCTSJFBUKZBFIJ-UHFFFAOYSA-N	318.354	1.560	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CCO[C@@H]2C)cc(Cl)c1O	842560749	YYVOJSQBDNPWAT-SCZZXKLOSA-N	312.753	1.929	50	20	DDGD	
COC(=O)NNC(=O)CCC(=O)c1ccc2c(c1)OCCCO2	913176961	SQWPEIWMSCORQC-UHFFFAOYSA-N	322.317	1.198	50	20	DDGD	
Cc1cncc(C(=O)NNc2ccccc2S(C)(=O)=O)c1	743367250	DGWXYDZQKDOZAQ-UHFFFAOYSA-N	305.359	1.550	50	20	DDGD	
C[C@H](OCCc1ccccc1)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843662299	SHCSFIATOSPRMN-VNHYZAJKSA-N	320.389	1.207	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)COCc2ccccc2)[C@@H](C)[C@H]1C	841582972	VXXNCFNZOYSVFZ-RDBSUJKOSA-N	319.405	1.920	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCO2)c1cn(C)nc1C	917535162	YCISUVPQIZVJEK-UHFFFAOYSA-N	300.318	1.611	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1ccc(N(C)CCC#N)cc1	842552843	CDPJTAGKPIXHMF-XJKSGUPXSA-N	314.389	1.912	50	20	DDGD	
C=CCCC(=NNC(=O)CSc1nnc(O)nc1O)C1CC1	747752214	WJACAPZLRLVAHK-UHFFFAOYSA-N	323.378	1.223	50	20	DDGD	
O=C(NCCC1=CCNCC1)NNc1cccc([N+](=O)[O-])c1	841984685	GCIWGXWJYDDJNJ-UHFFFAOYSA-N	305.338	1.531	50	20	DDGD	
CC[C@H]1CN(CC(=O)NNC(=O)c2cccc(C)c2)[C@@H](C)CO1	844390573	IGQQBZXMUJDEJB-ZFWWWQNUSA-N	319.405	1.255	50	20	DDGD	
C[C@H](COCC(=O)NNc1ncncc1F)c1ccccc1	846215082	KCSPAKWUNXRJDA-LLVKDONJSA-N	304.325	1.879	50	20	DDGD	
NCC(F)(F)CNC(=O)NNC(=O)Nc1ccc(Cl)cc1	841971786	XNMCHSASDPHLET-UHFFFAOYSA-N	321.715	1.270	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)C)ccc1N1CCNC1=O	919747964	KKXFSRRSRBMKBT-UHFFFAOYSA-N	318.377	1.332	50	20	DDGD	
CCC(CC)(CO)C(=O)NNC(=O)c1c[nH]c2ccccc12	847296122	XMVDCPBWFVDGOX-UHFFFAOYSA-N	303.362	1.728	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CNc1ccc(C)cc1C)[C@@H](C)O	842224378	LPYDJCMKOBYEMF-OLZOCXBDSA-N	307.394	1.270	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)Cc2ccc(F)cc2)CCCNC1	841970883	QGVYGNLRBDKVLV-MRXNPFEDSA-N	322.384	1.088	50	20	DDGD	
CC[C@@H](CN1CCOCC1)NC(=O)NNc1ccc(C)c(F)c1	925613943	VHCJNQXSGLSBRT-ZDUSSCGKSA-N	324.400	1.871	50	20	DDGD	
CN1C(=O)C[C@@H](NC(=O)CCCC[C@@H]2CCSS2)C1=O	848047398	MILCGOQSZXFSNO-NXEZZACHSA-N	316.448	1.574	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H]1C[C@@H](OC)C1(C)C	753426162	VBUWNTPISVKCPI-QWHCGFSZSA-N	321.377	1.453	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)C2CCC2)CC(c2ccccc2)=NO1	857121440	XTZFJGINCPLWPX-INIZCTEOSA-N	301.346	1.517	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2cc(F)ccc2C)[C@@H]1OC	854006781	NYZHLULXNNDHOS-MJBXVCDLSA-N	311.357	1.953	50	20	DDGD	
COC1([C@H](C)NC(=O)NNC(=O)c2cccc(F)n2)CCC1	852382813	LWHVDCPVXHECJW-VIFPVBQESA-N	310.329	1.122	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1ccccc1C1CC1	751135416	XAUYFPDCKQSNMX-AWEZNQCLSA-N	315.417	1.982	50	20	DDGD	
Cc1c(C(=O)NNc2ccc(C(N)=O)nn2)cnc2ccccc12	757404031	JFYSYLBXXDDMDL-UHFFFAOYSA-N	322.328	1.189	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)OCC(F)(F)F)nn1C(C)(C)C	856024926	FKRWEVSCABUUQS-UHFFFAOYSA-N	322.287	1.880	50	20	DDGD	
CC(C)[C@H]1C[C@H](NC(=O)NNc2ncc(Cl)cn2)CCO1	856882410	TXGBCXYYXNIZPH-GHMZBOCLSA-N	313.789	1.960	50	20	DDGD	
O=C(CCCc1ccc2nc(O)[nH]c2c1)NNc1ccncn1	857521006	WUJJTRMUEGYFRL-UHFFFAOYSA-N	312.333	1.525	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)OCC(F)(F)F	856027104	ZOEYAQNXZWQLNC-SECBINFHSA-N	320.223	1.146	50	20	DDGD	
CC1=C(C(=O)NNc2ccc([N+](=O)[O-])cc2F)C(=O)OC1(C)C	855621526	WAZQKYGLOCGFKC-UHFFFAOYSA-N	323.280	1.829	50	20	DDGD	
N#Cc1ccc(NC(=O)NNC(=O)Cc2cc[nH]n2)c(Cl)c1	757727970	YVRLIVPSLFQJPG-UHFFFAOYSA-N	318.724	1.330	50	20	DDGD	
N#Cc1csc(C(=O)NNC(=O)COc2ccccc2F)c1	752398937	BXWYWERRLHMWSL-UHFFFAOYSA-N	319.317	1.599	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccc(Cl)cc1	858093172	UDNULNGTKYZWDG-LDYMZIIASA-N	324.768	1.010	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H]2C[C@H]2C1)c1cccc2cccnc12	852031091	XYSPWBUZXVJIML-STQMWFEESA-N	310.357	1.931	50	20	DDGD	
COc1cc(C=NNC(=O)c2cc[nH]n2)c2c(c1)C[C@H](C)O2	853392951	XBANVJXPZVIYOZ-VIFPVBQESA-N	300.318	1.506	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2ncccn2)C[C@H](C)C1(F)F	858545176	BPWYNFWAPAVGCM-IUCAKERBSA-N	313.308	1.054	50	20	DDGD	
N#CCc1ccc(C(=O)NNC(=O)Cc2ccccc2F)cc1	759044564	ROCXQNGLVVRJKF-UHFFFAOYSA-N	311.316	1.895	50	20	DDGD	
COC(=O)C1(CNC(=O)NNc2ccc(C)nn2)CCCC1	752019548	AMUBSAIMURNTAD-UHFFFAOYSA-N	307.354	1.145	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)CC(C)C)[C@@]12CCCO2	759319816	FFOZCDAIQZWHAE-JMSVASOKSA-N	313.398	1.090	50	20	DDGD	
COC[C@H](OC)C(=O)NNc1ccc(-c2ccccc2)nn1	857148951	MHHXLBSADMKLDK-ZDUSSCGKSA-N	302.334	1.248	50	20	DDGD	
CCOC(=O)NNC(=O)Cc1ccc(Br)cc1F	854164141	TXJFYEZSQLKVJA-UHFFFAOYSA-N	319.130	1.908	50	20	DDGD	
COC(=O)c1cc(C(=O)NC[C@]2(C)C[C@H]2Br)on1	857393939	JVBHSUGMANYIAV-KCJUWKMLSA-N	317.139	1.365	50	20	DDGD	
CSc1ccc(NC(=O)NNC(=O)Cc2ccncc2)nc1	758003328	MNOOUYXLWOQRQP-UHFFFAOYSA-N	317.374	1.594	50	20	DDGD	
CCNC(=O)CCCC(=O)NC[C@]1(C)C[C@H]1Br	857398745	AASDHBDWGNUZBA-SKDRFNHKSA-N	305.216	1.583	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@H]2C=NNC(=O)[C@H]2CCCOC2)cn1	853358923	JAELBJMYGXBIQD-KCQAQPDRSA-N	320.393	1.416	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)c2ccnnc2)sc1C	756743718	CQUUDSKJTVABLO-UHFFFAOYSA-N	304.375	1.874	50	20	DDGD	
C/C=C\C[C@H](CO)NC(=O)NC[C@]1(C)C[C@H]1Br	856903638	RNFCPIGVILZEBK-DKHJKLQHSA-N	305.216	1.786	50	20	DDGD	
CC[C@@H](C)OCC(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	751866491	FDTLSRGOFNFJRW-GFCCVEGCSA-N	322.361	1.114	50	20	DDGD	
Cc1cccc(NNC(=O)C(=O)Nc2cnn(C(C)C)c2)n1	861960526	OIQMRRRSPOCYFW-UHFFFAOYSA-N	302.338	1.249	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(N(C)C(=O)C2CC2)cc1	932603189	RSKRRWZXSMDPCV-UHFFFAOYSA-N	320.349	1.794	50	20	DDGD	
Cn1ncc(C2CC2)c1CNS(=O)(=O)CC(C)(C)CCl	867516017	RUTQMSHPWVFEPE-UHFFFAOYSA-N	319.858	1.982	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)Nc2sc(C)nc2C)o1	764369790	JMYKNGVPDZMCDO-UHFFFAOYSA-N	322.346	1.061	50	20	DDGD	
O=C1NCC[C@]1(C(=O)NNc1nccnc1Cl)C1CCCC1	863875671	BCYYOVSNJXQSKQ-AWEZNQCLSA-N	323.784	1.270	50	20	DDGD	
Cc1c(N)cccc1NC(=O)C(=O)NNC(=O)CC(C)(C)C	861498936	JAUNIOYRVLHZPL-UHFFFAOYSA-N	306.366	1.099	50	20	DDGD	
CS(=O)(=O)CCNC(=O)NNc1cccc(F)c1Cl	860585870	TWIHOSNIXAYDFI-UHFFFAOYSA-N	309.750	1.150	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(N(CC)C(C)C)cc1	763442070	QLRNNJSNPARNPW-UHFFFAOYSA-N	320.393	1.417	50	20	DDGD	
Cc1nc(-c2ccccc2)ncc1C(=O)NNc1cccnn1	768135379	UBEFAEAENRUYJZ-UHFFFAOYSA-N	306.329	1.999	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)OCCN1CCOC1=O	766747882	AERNBDXZUQTZQV-MRVPVSSYSA-N	308.172	1.791	50	20	DDGD	
COc1ccnc(NNC(=O)[C@]2(c3ccccc3)CCCO2)n1	930076936	MOAAUXJKPIABIB-MRXNPFEDSA-N	314.345	1.634	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1	861514383	CDDSHWFYGMPHIL-JQWIXIFHSA-N	304.350	1.062	50	20	DDGD	
O=C(NNC(=S)N[C@@H]1CCc2ccccc2C1)c1cn[nH]c1	863204649	FIBADKPUGRAPLL-CYBMUJFWSA-N	315.402	1.076	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(C)n(CC(F)(F)F)c1C	768411057	VBJSOUVEIJBMJQ-UHFFFAOYSA-N	320.315	1.973	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cc(F)c(F)cc1F	767788495	MFSIRZBYFMNKHP-MRVPVSSYSA-N	304.268	1.606	50	20	DDGD	
COc1ccccc1OCCC(=O)NN=c1cc[nH]c(C)c1	862507744	BFWKQJYNDWGONI-UHFFFAOYSA-N	301.346	1.733	50	20	DDGD	
C[C@@H](NNC(=O)C[C@H](NC(N)=O)c1cccs1)C(F)(F)F	862306349	JIDZFRWWVZGLPD-RQJHMYQMSA-N	324.328	1.419	50	20	DDGD	
CC[C@H](C)Oc1cc(C(=O)NNC(=S)NC(C)C)ccn1	1116495897	JTFMRVRONOEQFC-JTQLQIEISA-N	310.423	1.776	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H](C(C)C)N1CCC(C)CC1	875068357	DMPXMBODHCTTPA-ZDUSSCGKSA-N	314.430	1.655	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CCc3ncsc3C2)c1	1118863873	FFDCURZVQRDPMR-UHFFFAOYSA-N	322.415	1.926	50	20	DDGD	
C[C@H](C=NNC(=O)[C@H]1CCO[C@@H]1C)CNC(=O)OC(C)(C)C	1118237345	VFYGJLJUTNRSJA-TUAOUCFPSA-N	313.398	1.674	50	20	DDGD	
CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)NC[C@@]1(C)C[C@H]1Br	872882469	HKDYZIZSCNIXKY-BSFVXNEUSA-N	304.184	1.633	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(c2cccc(F)c2)CC1	870053520	ZOBHEUSSXFTVED-SEYXRHQNSA-N	303.337	1.918	50	20	DDGD	
CC(C)S(=O)(=O)c1cccc(C(=O)NNc2ncccn2)c1	771137019	VKVJRGWSSNGVTD-UHFFFAOYSA-N	320.374	1.416	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H](C)OCCC=C)c1	874949747	CDMRMTXYZVVYIQ-GFCCVEGCSA-N	317.414	1.967	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NCCCSC#N)C1	773585203	FMBYSALUEZEDHH-STQMWFEESA-N	311.451	1.992	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)c2cn(C)cn2)cc1OC	872328317	QQZMGYDXXIWGQZ-UHFFFAOYSA-N	302.334	1.591	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CCc2cnc[nH]2)cc1C	873762854	FJYUVQMSXZJFHU-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2c(C)cnn2C)cc1C	873761893	KJLHQZTXPYZBCS-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
O=C(NNC(=O)c1ccn(Cc2ccccc2)n1)c1ccccn1	771839926	QQEODQJYNJDKFL-UHFFFAOYSA-N	321.340	1.401	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1	772569452	WDQVISFIFVEWSP-LLVKDONJSA-N	324.425	1.297	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@H](F)Cc2ccccc2)c1	777981073	KAHCRWOHJLFWEG-OAHLLOKOSA-N	311.316	1.900	50	20	DDGD	
COCc1ccc(NC(=O)NNc2nccnc2OC)cc1	772615401	SAJHTFTWAQLADK-UHFFFAOYSA-N	303.322	1.780	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NC[C@@H]2C=CCC2)cc1	883778577	CWPZEWUPXWISGX-CQSZACIVSA-N	317.389	1.924	50	20	DDGD	
CC(C)(C)OC(=O)CCCCNC(=O)NNc1cccnn1	773759200	AVEVRNLPWUWBHG-UHFFFAOYSA-N	309.370	1.615	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2	771894909	SRUPQBNETYNRQG-RFGFWPKPSA-N	324.421	1.938	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccnn1C1CCCC1	772189629	FRMJPGIKPWDBOC-SNVBAGLBSA-N	322.365	1.101	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(C(=O)OC)s1	888895883	VREOSBLVFMVDOU-UHFFFAOYSA-N	300.340	1.233	50	20	DDGD	
COc1ccc(OC)c(CCNS(=O)(=O)CCCCl)c1	881808019	KFJMKROXTWSNMQ-UHFFFAOYSA-N	321.826	1.795	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ncc(F)cn2)c(C)c1	784957751	RAQROXCFMAPUOM-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)NC[C@@H](C)C#N)cc1OC	781945914	XNLWJHHTUIUKRU-JTQLQIEISA-N	320.349	1.198	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1	887154169	ARFARBBDLAPVIW-JKSUJKDBSA-N	313.401	1.807	50	20	DDGD	
N#Cc1ccc(CNC(=O)NNc2ncncc2Cl)cc1	780963621	JEPUCDSWZKFAEV-UHFFFAOYSA-N	302.725	1.828	50	20	DDGD	
C[C@@H]1C[C@@H](CC(=O)NNC(=O)N2CCN(C)CC2)CC(C)(C)C1	788165774	GVKCBJNWGWKRTP-KGLIPLIRSA-N	324.469	1.827	50	20	DDGD	
Cn1ncc(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)n1	786158760	HJNYJUHTGMEXCX-UHFFFAOYSA-N	319.712	1.275	50	20	DDGD	
Cc1cc(O)cc(=O)n1CCC(=O)NNc1ccc(F)cc1	783534624	ZVXPKVVIJGXTIF-UHFFFAOYSA-N	305.309	1.535	50	20	DDGD	
N#CCCNC(=O)NNC(=O)c1cccc(Br)c1	787349488	MJJKBVOSUUXXPM-UHFFFAOYSA-N	311.139	1.307	50	20	DDGD	
Cc1cccnc1C=NNC(=O)Cc1nc2ccccc2n1C	781581704	JGJWUHHDCVVQKU-UHFFFAOYSA-N	307.357	1.970	50	20	DDGD	
CC(=NNC(=O)c1nnc(O)c2ccccc12)c1nccnc1C	783509374	LQRZGTNQHZHYJZ-UHFFFAOYSA-N	322.328	1.588	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc2c(c1)C[C@@H](OC)C2	785863742	JWZWFLAUVSEMHT-ZDUSSCGKSA-N	306.366	1.498	50	20	DDGD	
C[C@H]1CCc2[nH]nc(C(=O)NNC(=S)NC(C)(C)C)c2C1	899993573	ZDAPGJMFARMYRD-QMMMGPOBSA-N	309.439	1.442	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)N[C@@H](c1ccncc1)C1CC1	899008599	NTINBRBSTVGYEC-ZIAGYGMSSA-N	318.377	1.432	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@]1(OC)CCSC1	897308347	CRIJICSDCRKXDJ-CQSZACIVSA-N	310.375	1.438	50	20	DDGD	
C[C@H]1[C@@H](CN2CCN(c3nc(N)nc(C4CC4)n3)CC2)[C@@H]1Cl	897573023	BHIDCSCVNMLFBR-MVWJERBFSA-N	322.844	1.327	50	20	DDGD	
Cc1ccc2c(c1C)C(=NNC(=O)C[n+]1ccccc1)CCO2	794459085	HPZBVKFEKNCVCF-UHFFFAOYSA-O	310.377	1.894	50	20	DDGD	
C[C@@H]1CCC[C@H]1CNC(=O)NNc1ccc(-n2cccn2)nn1	798512598	NDKXHKBWPYPIDX-NEPJUHHUSA-N	315.381	1.725	50	20	DDGD	
O=C(CNc1cccc(Cl)c1)NNC(=O)NCC(F)(F)F	798316399	XXRWYOFVZXIDAR-UHFFFAOYSA-N	324.690	1.645	50	20	DDGD	
CN1CCN(C(=O)NN=C/C=C/c2ccc(F)c(F)c2)CC1	794940026	PENJUBVRRBQWNJ-FUYSDQOXSA-N	308.332	1.921	50	20	DDGD	
O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CC[C@@H](B(O)O)C1	585058062	SCJQVYLMERWROD-SSDOTTSWSA-N	323.994	1.231	50	20	DDGD	
COC(=O)N1CCC(=NNC(=O)c2ccc(O)c(O)c2)CC1	794556985	LVQDBOXFTIOJJO-UHFFFAOYSA-N	307.306	1.046	50	20	DDGD	
COCc1nc(C(=O)NNC(=O)c2cccc(C)n2)cs1	794087238	LTVDKKIRRAMSEA-UHFFFAOYSA-N	306.347	1.068	50	20	DDGD	
C=C[C@H](NNC(=O)c1ccc(OC(C)C)c(OC)c1)C(=O)OC	799975998	PJKYDARBWKCDPD-LBPRGKRZSA-N	322.361	1.444	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1c(F)c(F)cc(F)c1F	798305475	QQUFKZYGVJZKKF-UHFFFAOYSA-N	307.272	1.538	50	20	DDGD	
O=S(=O)(N[C@@H](CO)CC1CC1)c1ccc(CCCl)cc1	754816002	HBJQMORCWHBSCT-CYBMUJFWSA-N	317.838	1.907	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2cc(Cl)ccc2O)nn1C	1319989865	KKKWWGONAXTZIK-UHFFFAOYSA-N	322.752	1.416	50	20	DDGD	
C[C@H]1CCCC[C@H]1NC(=S)NNC(=O)C[n+]1ccccc1	1318442629	VHNKOKJBSISAMM-QWHCGFSZSA-O	307.443	1.048	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cnn(C(C)C)c2C)cc1	1319730347	WAOMKRJRLQOQQF-UHFFFAOYSA-N	316.361	1.856	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@H](C)C(=O)NCC(F)(F)F	1324514748	NCVGYPMEBYWYDH-MRVPVSSYSA-N	319.287	1.083	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H]1CC12CCS(=O)(=O)CC2	1329166409	YWEWLGLYCGWMAH-LLVKDONJSA-N	309.391	1.048	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2ccc(C)c(O)c2)cc1	1323392031	HGGXTWLOLMURLN-UHFFFAOYSA-N	314.341	1.713	50	20	DDGD	
O=C(NNC(=O)N1CCCOCC1)c1ccc2ccccc2c1	1324875648	XBVYJOYBSQPIDD-UHFFFAOYSA-N	313.357	1.917	50	20	DDGD	
N#CCc1cccc(C(=O)NNc2nncc(N)c2Cl)c1	1333509708	TZLMDJTZULHDQC-UHFFFAOYSA-N	302.725	1.535	50	20	DDGD	
CC1(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CC(F)(F)C1	1332410061	SKBCPJYHHRMZLW-UHFFFAOYSA-N	312.320	1.485	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CCOCC2)c(C)n1CC1CC1	1330830561	PRXWONRXHSKBRJ-UHFFFAOYSA-N	319.405	1.703	50	20	DDGD	
CCNC(=O)N1CCN(C(=O)C2CCC(Cl)CC2)CC1	1263703556	XLVSJDPATKYLJH-UHFFFAOYSA-N	301.818	1.658	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Cc1cccc2nsnc12	1350793395	GKINJOHLODEMOC-UHFFFAOYSA-N	308.363	1.790	50	20	DDGD	
CCCNC(=O)[C@H](C)NC(=O)/C(C#N)=C\c1ccc(O)cc1	1353858437	FOQZVCPCFCJDKT-KWJWQAOWSA-N	301.346	1.330	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCCCc1cccc(O)c1	1518761639	OVURWWJTVULTLR-UHFFFAOYSA-N	307.419	1.786	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccccc1-n1ccc(C2CC2)n1	1521670531	GGYLLUNLSIIPCB-GFCCVEGCSA-N	314.389	1.707	50	20	DDGD	
CCCN(NC(=O)[C@](C)(C#N)CC(=O)O)C(=O)OC(C)(C)C	1603672546	KHYGPZIZYOOQFD-AWEZNQCLSA-N	313.354	1.669	50	20	DDGD	
Cc1cc(C)n([C@H](C)C(=O)NNc2ccc(CC(=O)O)cc2)n1	1607629896	RMBVYQYMHHINFY-GFCCVEGCSA-N	316.361	1.831	50	20	DDGD	
COc1coc(C(=O)NNc2ccc(CC(=O)O)cc2)cc1=O	1607354886	FWMLIDDNXXDELI-UHFFFAOYSA-N	318.285	1.032	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNC(=O)Cc2ccccn2)c1	1600108372	FLTKLJUBUZJCRN-UHFFFAOYSA-N	313.313	1.092	50	20	DDGD	
Cc1cc(C)c(C(=O)O)cc1NC(=O)NNc1nnc(C)n1C	1600157567	RIQADHGKDQABAC-UHFFFAOYSA-N	318.337	1.587	50	20	DDGD	
Cc1c(NNC(=O)NCc2cncn2C)cccc1C(=O)O	1607552478	OVBLGOVDMFQZOK-UHFFFAOYSA-N	303.322	1.253	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2ccc(C(=O)O)c(F)c2)nc1	1608200891	SQZBKOBSQYRUIH-UHFFFAOYSA-N	300.249	1.547	50	20	DDGD	
O=C(NN=Cc1c[nH]c2ccccc12)[C@@H]1CN2CCC[C@H]2CO1	1549314787	KJXIMSPATKTGIM-BBRMVZONSA-N	312.373	1.481	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@@H]1C=NNC(=O)N1CCOCC1	1552757369	DKWYXFYBGNVGSQ-OLZOCXBDSA-N	321.381	1.008	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@@]1(C)C[C@H](O)CN1	1579646344	AKXNYEJNDUJHKT-BLLLJJGKSA-N	300.362	1.099	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccc(CCN)cc2)cc1	1578252656	JKSDWUCISYBWRM-UHFFFAOYSA-N	311.385	1.825	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H](N)C(C)(C)C	1573832471	ULQOWTNCBWBXDO-AWEZNQCLSA-N	307.394	1.149	50	20	DDGD	
CC(C)(C)[C@H](C(=O)O)C(=O)NNc1nccnc1C1CCC1	1588635081	YHCGDTDMCUYQKN-JTQLQIEISA-N	306.366	1.934	50	20	DDGD	
C[C@@](CNC(=O)NNc1ccccn1)(C(=O)O)c1ccccc1	1589056227	JVGGSOHAMJNFKO-INIZCTEOSA-N	314.345	1.750	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CC)C1	1841278852	KOEVBCCRFZAWAY-RYUDHWBXSA-N	316.829	1.368	50	20	DDGD	
O=C(c1ccno1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843362917	MJIMYOWRBIGHDQ-VIFPVBQESA-N	301.705	1.026	50	20	DDGD	
Cc1cc(=NNC(=O)/C=C/c2ccccc2-c2nn[nH]n2)cc[nH]1	1592053675	OHFVXLQIFMLXHB-VOTSOKGWSA-N	321.344	1.149	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1cnc(O)c2ccccc12	1595261411	ABYBHSJYTPMEDR-UHFFFAOYSA-N	324.296	1.791	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccc(C(=O)O)c(F)c1)n1cccn1	1592251776	HJAOHMFRSJPMCK-VIFPVBQESA-N	306.297	1.815	50	20	DDGD	
Cc1c(NNC(=O)c2cc(C(=O)O)n[nH]2)cccc1[N+](=O)[O-]	1594269133	WKSKINJERRKLJG-UHFFFAOYSA-N	305.250	1.081	50	20	DDGD	
C[C@@H]1COCC[C@H]1NC(=O)NNc1ccc(C(=O)O)cc1F	1594604536	QNUVRPDHRYNYSR-LDYMZIIASA-N	311.313	1.575	50	20	DDGD	
CCN(CCC(=O)O)S(=O)(=O)c1ccc(CCl)cc1	1596318509	KQNBCCFJGFHGAR-UHFFFAOYSA-N	305.783	1.911	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cc2c([nH]1)CCCC2	1593164590	AAEVNMCHZYWWAX-UHFFFAOYSA-N	323.360	1.831	50	20	DDGD	
O=C(CC1CC1)NN=Cc1cn(C2CCOCC2)nc1C(=O)O	1776077296	HDVSNPPSFOFBGG-UHFFFAOYSA-N	320.349	1.183	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NN=Cc1ccc(C(=O)O)nc1	1776017399	UHEHTTZEVGCKQB-UHFFFAOYSA-N	323.312	1.280	50	20	DDGD	
CC(=NNC(=O)c1ccc(CO)o1)c1cc(C(=O)O)ccc1C	1776097221	SFBBQNFVAVXQQM-UHFFFAOYSA-N	316.313	1.933	50	20	DDGD	
COc1cncc(C(C)=NNC(=O)c2cccc(C(=O)O)c2)c1	1776096535	GLPAOUBTKHWSHA-UHFFFAOYSA-N	313.313	1.942	50	20	DDGD	
COCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(Cl)Cl)C2	1795601490	XVMGALYBLXEHOO-AYMMMOKOSA-N	309.193	1.075	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1	158729460	JYFRNCUVNGUUMT-ABZBSAQLSA-N	309.410	1.434	50	20	DDGD	
C[C@@H](CNC(=O)NNc1cccc(C#N)c1)CC1(C)OCCO1	152931965	FHVSCTNQSLOHAW-GFCCVEGCSA-N	318.377	1.974	50	20	DDGD	
N#Cc1cccc(NNC(=O)C(=O)NCc2ccc(F)cc2)c1	152485824	GDISYZRUZZJHRH-UHFFFAOYSA-N	312.304	1.457	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1	155113888	KDVONHJPQBWGPI-ZDUSSCGKSA-N	312.373	1.792	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccnn1C[C@H]1CCOC1	159825569	WVJJFESECIEMCB-SNVBAGLBSA-N	309.370	1.118	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NC[C@@]1(C)C[C@H]1Br	857401884	MVVNHMCSMQQVQU-PRHODGIISA-N	321.215	1.801	50	20	DDGD	
COc1ccc(OC)c(C(=O)NNC(=O)c2ccccc2)c1	7477074	IMHQCUWXTHFSCL-UHFFFAOYSA-N	300.314	1.779	50	20	DDGD	
N#CC(C#N)=CNc1ccc(S(=O)(=O)N2CCCC2)cc1	10334791	LCWMDHKLLCEXLF-UHFFFAOYSA-N	302.359	1.814	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)COc1ccc(C#N)cc1	8301861	XKBVFUGKZLJPGS-UHFFFAOYSA-N	306.391	1.231	50	20	DDGD	
O=C(NCCOc1ccc(F)c(F)c1)NNc1ncccn1	106566455	PXGSOSSSVDNUQB-UHFFFAOYSA-N	309.276	1.460	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)c1ccc[nH]1)Oc1cccc(F)c1	176098462	ASXKMYHNMZHFBQ-SNVBAGLBSA-N	320.324	1.565	50	20	DDGD	
C[C@H](c1cccnc1)N(C)C(=O)NNC(=O)Cc1cccnc1	103518432	VHGMCXOVNHMDBA-GFCCVEGCSA-N	313.361	1.453	50	20	DDGD	
COc1ccccc1/C(C)=C/C(=O)NNC(=O)c1cccn1C	171354293	VFRVDKNBMSLQSQ-VAWYXSNFSA-N	313.357	1.898	50	20	DDGD	
CC(C)c1ccc(S(=O)(=O)NNC(=O)c2cnccn2)cc1	22411779	CKKXRPNYXSVCKL-UHFFFAOYSA-N	320.374	1.223	50	20	DDGD	
Cc1cc(F)ccc1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	119556799	BMLNEEFAKNSUGE-LBPRGKRZSA-N	314.382	1.240	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1ccc2c(c1)CCCC2	65207602	WQJUFNNIWLNHQF-UHFFFAOYSA-N	319.405	1.475	50	20	DDGD	
Cc1cc(=O)c(C(=O)NN)nn1-c1cccc(C(F)(F)F)c1	302632640	JGKCIVMSOBCOMU-UHFFFAOYSA-N	312.251	1.163	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CC2CCOCC2)c1	117428913	WLZJVVFOHYWUII-UHFFFAOYSA-N	317.414	1.802	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)c1cnn(C)c1)c1ccccc1	172269026	XLQIHGAKBCBAOY-LBPRGKRZSA-N	315.377	1.558	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCC[C@@H]2C[C@H]3CC[C@@H]2C3)cn1	172226231	KCISRKALTDCNQZ-QJPTWQEYSA-N	305.382	1.190	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(OC[C@H]2CCCO2)cc1	21770210	ZWTMPMUSGPXEAB-CYBMUJFWSA-N	308.334	1.635	50	20	DDGD	
Cc1ncc(/C=C/C(=O)NNC(=S)NCC2CCC2)s1	112404916	GLEOLXMPDREOLW-AATRIKPKSA-N	310.448	1.760	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC[C@H]1CCOC1)c1ccccc1	111477690	QKUMTUBUXKFCHX-OCCSQVGLSA-N	305.378	1.547	50	20	DDGD	
N#Cc1cccc(NNC(=O)C(=O)Nc2ccc(F)cc2F)c1	119513477	IFUZAIJDUUVPSB-UHFFFAOYSA-N	316.267	1.918	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)NCCc2cccs2)cn1	65198628	UZOXQJSNPYFJCK-UHFFFAOYSA-N	318.402	1.567	50	20	DDGD	
CC1CCC(CNC(=O)NNC(=O)Cc2ccncc2)CC1	176265951	QRLNBYVITPDFFB-UHFFFAOYSA-N	304.394	1.781	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cccc2ccccc12	65211989	FBMXYDMWLLPQTA-UHFFFAOYSA-N	301.346	1.820	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccccc1OCc1cscn1	65190527	ILNRAXTZIHEXIC-UHFFFAOYSA-N	320.374	1.686	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc2oc(=O)ccc2c1	184631546	LYNAAGCDGFOAGU-SECBINFHSA-N	303.318	1.992	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=O)c1ccc(CN(CC)CC)o1	184619400	CPYDCCOMLFAWCN-UHFFFAOYSA-N	319.405	1.932	50	20	DDGD	
CN(NC(=O)c1c(-n2cccc2)sc2c1CCC2)C(N)=O	182644537	JQYZLOLAYIRRFD-UHFFFAOYSA-N	304.375	1.683	50	20	DDGD	
O=C(CN1CCCC1=O)NNc1ccc([N+](=O)[O-])cc1Cl	125843683	RCPBCJCCVUTGMB-UHFFFAOYSA-N	312.713	1.314	50	20	DDGD	
CCCC(=O)N1CSC[C@H]1C(=O)NNc1ccnc(F)c1	182412158	SQSXFHJOTXAFIX-JTQLQIEISA-N	312.370	1.365	50	20	DDGD	
C[C@@H]1CCC[C@H](N(C)CC(=O)NNC(=O)c2ccccc2)C1	182044873	KRXOQWBKGYXIGN-HIFRSBDPSA-N	303.406	1.958	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3	75653351	NJWLAHSRUIZXQM-UHFFFAOYSA-N	314.389	1.369	50	20	DDGD	
C[C@H]1CCC[C@@H](C)C1NCC(=O)NNC(=O)c1ccccc1	182718373	UEGDBAJKCCBFRF-OCZCAGDBSA-N	303.406	1.862	50	20	DDGD	
Cc1cc(C(=O)NN(C)C(N)=O)c(C)n1-c1ccc(C#N)cc1	182642782	WOTDWCXKQLFCNT-UHFFFAOYSA-N	311.345	1.621	50	20	DDGD	
CN(NC(=O)c1cc(-c2cccnc2)nc2ccccc12)C(N)=O	181075822	BTGSVXDBJFWXKZ-UHFFFAOYSA-N	321.340	1.952	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)c1ccnnc1	130488851	JYDDTNQQHHHRJP-UHFFFAOYSA-N	306.325	1.634	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)CC[C@@H]2CCOC2)c1	181146070	HQMBORWXAYLWRG-LLVKDONJSA-N	312.391	1.350	50	20	DDGD	
COc1nccnc1NNC(=O)Cc1cn(C)c2ccccc12	131728152	PPDVPYMSNTYDAY-UHFFFAOYSA-N	311.345	1.663	50	20	DDGD	
CC(C)(C)C(=O)NCCNC(=O)NNc1cccc([N+](=O)[O-])c1	195297412	LGLPJUWXTCHBIX-UHFFFAOYSA-N	323.353	1.383	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCc2ccccn2)cc1	194467077	QQGMKIZMIHAQAU-UHFFFAOYSA-N	313.357	1.549	50	20	DDGD	
CSC[C@H](CCO)NC(=O)/C(C#N)=C\c1ccc(O)cc1	194765782	BYELWDOVRFOGOR-FSBNRTBOSA-N	306.387	1.529	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)Cc1coc2cc3c(cc12)CCC3	192930943	AUSWWOWRNDQIAQ-UHFFFAOYSA-N	316.357	1.382	50	20	DDGD	
CCO[C@@H](CNC(=O)NNc1cccnn1)c1ccccc1	193722350	YKJZQCPRHNMDKJ-ZDUSSCGKSA-N	301.350	1.881	50	20	DDGD	
O=C(CCOc1ccccc1F)NNC(=O)c1ccncc1	192743837	LWPMJXBSKJAJMA-UHFFFAOYSA-N	303.293	1.451	50	20	DDGD	
CC(C)=CCNC(=O)NNC(=O)COc1cc(C)cc(C)c1	190547040	FEGIECCOKVWNDS-UHFFFAOYSA-N	305.378	1.979	50	20	DDGD	
O=C(Cc1ccc(F)cc1F)NNC(=S)NCC1CCC1	88278812	RFXQTTBETNIMPT-UHFFFAOYSA-N	313.373	1.803	50	20	DDGD	
CC(=O)NNC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C	238103853	RYJCAQUEJLZKFC-CYBMUJFWSA-N	321.377	1.290	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)CCc1ccccc1O	265902836	UXUGXDLWLLHESQ-UHFFFAOYSA-N	303.318	1.336	50	20	DDGD	
COCCC1(C(=O)NNc2nc(-c3cccnc3)no2)CCC1	268392591	MTPWCVHGZWPBJS-UHFFFAOYSA-N	317.349	1.782	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)NCCC2CC2)cc1OC	266590619	QTEFKQXORNSHRD-UHFFFAOYSA-N	321.377	1.838	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2CC2(C)C)c(OC)c1	264395971	PCFQJONFMKWIKN-LBPRGKRZSA-N	307.350	1.446	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)C[C@H]1CSCCS1	269786536	XISQLPVIKOOSCS-NSHDSACASA-N	311.432	1.010	50	20	DDGD	
CC(C)COc1ncccc1C(=O)NNC(=O)c1ccc[nH]1	264216507	VGYUWTCSGMPWQQ-UHFFFAOYSA-N	302.334	1.519	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(OC(F)F)c(OC)c1	271474346	ZRLNSJFLGHJXAM-UHFFFAOYSA-N	317.292	1.603	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1ccc(OC)c(C)c1C	274318986	CIOMKKYYGJDNFU-UHFFFAOYSA-N	315.395	1.167	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2(C)COC(C)(C)OC2)nc1	272157829	YOCBCRYFYNAOKE-UHFFFAOYSA-N	323.349	1.101	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)C2CC2)cnn1-c1ccccc1F	274042570	AWADPJRJILKOMM-UHFFFAOYSA-N	317.324	1.883	50	20	DDGD	
Cn1c(=O)oc2c(NC(=O)NNC(=O)C3CCC3)cccc21	272792275	GMUBJWPDIYZASX-UHFFFAOYSA-N	304.306	1.084	50	20	DDGD	
CN1CCN([C@@H](C(=O)N2CC=C(C#N)CC2)c2ccccc2)CC1	271150613	URQXWXQRBVYUDV-GOSISDBHSA-N	324.428	1.657	50	20	DDGD	
O=C(CN1CCC[C@H]1c1ccc[nH]1)NNC(=O)c1ccccc1	272289313	OYQFBSZBTOGGPG-HNNXBMFYSA-N	312.373	1.613	50	20	DDGD	
O=C(CC1CCC2(CC1)OCCO2)NNC(=O)c1ccncc1	276296261	IVPBVCZVHSABDT-UHFFFAOYSA-N	319.361	1.166	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1cc(F)ccc1Cl	274374655	QYCHDWDWFWRKSF-UHFFFAOYSA-N	309.750	1.334	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1	276385082	OXZDQOQETSUJRW-XZHRJIJLSA-N	323.393	1.946	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)COCc2ccccc2)CCO1	271850814	CELZELGWFXVXRL-JSGCOSHPSA-N	306.362	1.166	50	20	DDGD	
C[C@H](CNC(=O)OC(C)(C)C)NC(=O)NNc1cccnn1	274411577	OSDOIZCJODDKJY-SECBINFHSA-N	310.358	1.016	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	285463137	NHVRAGKRVMRPBL-OAHLLOKOSA-N	303.318	1.159	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@@H]1CCc2[nH]ncc2C1	287309268	WDUVBXFQZPIKPE-LLVKDONJSA-N	312.377	1.715	50	20	DDGD	
CSSCCNC(=O)NC[C@@H]1COC2(CCOCC2)O1	375135495	QCMYEJKLZGTABD-SNVBAGLBSA-N	322.452	1.219	50	20	DDGD	
COC[C@@H]1CCCCN(S(=O)(=O)CBr)C1	375133024	BWRMIELORPVOTP-SECBINFHSA-N	300.218	1.417	50	20	DDGD	
C#CCN1CCC(C(=O)NNC(=O)Nc2ccccc2)CC1	283819209	YWYKQPJFIFENNK-UHFFFAOYSA-N	300.362	1.185	50	20	DDGD	
CSSCCNC(=O)c1ccnc(OCCN(C)C)c1	285568826	CPJVQRVSIGKIBX-UHFFFAOYSA-N	315.464	1.763	50	20	DDGD	
COCCCn1nccc1C=NNC(=O)Cc1ccncc1	802710670	BKMHDDFLTMXRMO-UHFFFAOYSA-N	301.350	1.007	50	20	DDGD	
Cc1cc(C)n2nc(C)c(C(=O)NNC(=O)CC3CC3)c2n1	294177990	OCXQAQBNXLRSGB-UHFFFAOYSA-N	301.350	1.216	50	20	DDGD	
COCc1nc(CNC(=O)NNc2ncccc2C)cs1	290876270	FBKLFMNKFSCXTH-UHFFFAOYSA-N	307.379	1.819	50	20	DDGD	
CCc1ccccc1NC(=O)C(=O)NNc1ncccc1F	807300985	OZNGPWGBXHBSPI-UHFFFAOYSA-N	302.309	1.865	50	20	DDGD	
NS(=O)(=O)c1ccccc1CNC(=O)NNc1ccccc1	807604933	NKLBTSPRFJIOGX-UHFFFAOYSA-N	320.374	1.160	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc(C(F)(F)F)nc1	295654913	VJKYXBMWJUCFSO-SECBINFHSA-N	317.267	1.431	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@H]1CCC[C@H]1CCO	298330988	ONUDQYQTLTXJNC-KWQFWETISA-N	300.309	1.537	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(O)cc(C#N)c2)c(O)c1	809615821	MNIKXSHGKJAFJV-UHFFFAOYSA-N	311.297	1.353	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1cc2c(C)nn(C)c2s1	807980923	DMHAWLXKNJQQTB-UHFFFAOYSA-N	323.378	1.139	50	20	DDGD	
COC(=O)Nc1ccccc1C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	293955291	QNIVPPOMMYMJGT-CABZTGNLSA-N	321.333	1.193	50	20	DDGD	
C#CCO[C@H](C)C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	294453027	TUDOTEKKCXOSOZ-ZIAGYGMSSA-N	318.373	1.256	50	20	DDGD	
COc1ccc(CC(=O)NNc2cnnc3ccccc23)nc1	806856142	DJEYKQQCFWWIRH-UHFFFAOYSA-N	309.329	1.719	50	20	DDGD	
O=C(NC[C@@H]1CCCO1)NNC(=O)Nc1ccc(Cl)cc1	297424192	SCMMQTXHRVBWKE-NSHDSACASA-N	312.757	1.855	50	20	DDGD	
COC[C@@H](NC(=O)NNc1cccc(NC(C)=O)c1)C1CC1	297276945	KZJLCMZYMDIKPK-CQSZACIVSA-N	306.366	1.696	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1C[C@H](C(F)(F)F)OC(C)(C)C1	293813456	UMXMEALISGAEKO-TTZKWOQHSA-N	306.284	1.999	50	20	DDGD	
CN(CCNC(=O)NNC(=O)[C@H]1CCCCO1)c1ccccc1	297639064	SVXFLOHBIPVXME-CQSZACIVSA-N	320.393	1.022	50	20	DDGD	
C[C@H]1C(=O)Nc2cc(C(=O)NNC(=O)CC3CC3)ccc2N1C	294206027	PUANFDQNPGTIBH-VIFPVBQESA-N	316.361	1.025	50	20	DDGD	
CN1C(=O)CC[C@@H]1C(=O)NNc1cccc(Br)c1	806391813	JKNJKNDHDORSNV-SNVBAGLBSA-N	312.167	1.513	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1ccc(Cl)nc1C	808080945	LEKWGPBDHWFJSA-UHFFFAOYSA-N	320.802	1.336	50	20	DDGD	
Cc1ccccc1[C@H](NC(=O)NNC(=O)[C@@H]1CCCO1)C1CC1	291632902	BRTWKUCQVKXSKV-LSDHHAIUSA-N	317.389	1.956	50	20	DDGD	
C[C@H](Sc1ccccn1)C(=O)NNC(=O)[C@@H]1CCCCO1	295591013	PECMYVIWRNKICQ-QWRGUYRKSA-N	309.391	1.279	50	20	DDGD	
C=CCC(F)(F)C(=O)NNC(=O)COc1ccc(C#N)cc1	814720045	CQNJBIJUFIZSHP-UHFFFAOYSA-N	309.272	1.296	50	20	DDGD	
Cc1nsc(C)c1C(=O)NNC(=O)COc1ccc(F)cc1	814103010	UIETXYOHEXUTLD-UHFFFAOYSA-N	323.349	1.739	50	20	DDGD	
COc1ccc2nc(C=NNC(=O)Cc3cc[nH]n3)sc2c1	814958051	WUQXWUGQZLGIPR-UHFFFAOYSA-N	315.358	1.721	50	20	DDGD	
Cc1c(CC(=O)NCCCSC#N)nnn1-c1ccccc1	816539145	TYHVWJCZFBIMDZ-UHFFFAOYSA-N	315.402	1.839	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2C[C@@H]3[C@@H](CO)[C@@H]3C2)cc1	816861417	WJYNFFXIVJYHQK-HVELBQHESA-N	312.369	1.689	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@H](C)[C@@H](CN)C1	818009601	WNEAOBGPHNZOGW-GWCFXTLKSA-N	312.845	1.796	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=C1CCCc2ccc([N+](=O)[O-])cc21	814955503	JZMGFRXKPGPJSD-UHFFFAOYSA-N	313.317	1.717	50	20	DDGD	
Cn1nncc1NNC(=O)CSc1nccc2ccccc12	816771726	YIYWNDHCXWLJTK-UHFFFAOYSA-N	314.374	1.599	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccc[nH]2)ccc1OC(C)=O	725854295	KPJMMIDJJVYTIV-UHFFFAOYSA-N	301.302	1.713	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cnn1C	490784137	XKNMVLUEKCJRSU-KPKJPENVSA-N	310.313	1.972	50	20	DDGD	
CCNC(=O)NNC(=O)CCN(C(=O)OC(C)(C)C)C(C)C	491009498	NUJHPELREIHQCO-UHFFFAOYSA-N	316.402	1.372	50	20	DDGD	
CC(C)n1cnc(S(=O)(=O)NN(C)C(=O)OC(C)(C)C)c1	496795579	SHEVCJDTCILHIK-UHFFFAOYSA-N	318.399	1.524	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C/c1ccc(N2CCOCC2)c(F)c1	727263523	CDYZUHGKODYDMZ-GXDHUFHOSA-N	315.348	1.871	50	20	DDGD	
CCCC(O)(CCC)CNC(=O)/C(C#N)=C/c1cnn(C)c1	491103796	LVSDNJKARDBVEA-RIYZIHGNSA-N	304.394	1.775	50	20	DDGD	
O=C(O)CSCC(=O)NNc1cccc(Br)c1	821537131	MDZWOKHTVLCVFX-UHFFFAOYSA-N	319.180	1.710	50	20	DDGD	
Cn1ncc(NC(=O)NNC(=O)c2cccc(F)n2)c1C1CC1	822661341	FVVSNGIIRPISJL-UHFFFAOYSA-N	318.312	1.298	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1ccc(C(=O)O)cc1F	821451632	DJKOHMQMENNFAS-UHFFFAOYSA-N	317.276	1.606	50	20	DDGD	
C[C@H]1Oc2c(ccc(Cl)c2Cl)C1=NNC(=O)C(N)=O	729931351	BAHIFCBJCUYUIS-SCSAIBSYSA-N	302.117	1.080	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H]2CCN(C(C)(C)C)C2=O)n1	827080951	RWANUKJGCUZKLN-JTQLQIEISA-N	321.381	1.116	50	20	DDGD	
CCN(CCO)NC(=O)c1c(C)nn(Cc2ccccc2)c1C	823837610	FNYPSPKVRVKRAX-UHFFFAOYSA-N	316.405	1.507	50	20	DDGD	
CCOCc1nc(C)c([C@H](C)NCc2ccc(B(O)O)o2)s1	585044511	LQBRRGIWHYOWIW-VIFPVBQESA-N	324.211	1.112	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCN(CC2CC2)CC1	490908852	LXTOUXUVLNRMGN-WJDWOHSUSA-N	311.385	1.853	50	20	DDGD	
CC1=C(C)C(=O)N(CCC(=O)NNc2ccc(F)cc2)C1=O	900091047	PJUWXMZJSJXWJI-UHFFFAOYSA-N	305.309	1.364	50	20	DDGD	
CCN(CCO)NC(=O)c1cnc(-c2ccccc2Cl)nc1	823893818	XNDOONXQXKNEER-UHFFFAOYSA-N	320.780	1.756	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1oc(C(C)C)nc1C#N	493915982	ZDIVSJWQOWZZQO-UHFFFAOYSA-N	323.353	1.639	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cccc(N(C)C(C)C)c1	495408200	PVPHUUMCYLVIRP-UHFFFAOYSA-N	322.365	1.247	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)COC(F)(F)F)c1C	825157613	PBDNKCXTFNWSQQ-UHFFFAOYSA-N	306.240	1.761	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CC(c2cc(C)ccc2C)=NO1	908113988	ZSMPGNNNBPROTG-ZDUSSCGKSA-N	305.334	1.526	50	20	DDGD	
COC(=O)N[C@H](C(=O)OC[C@H](C)CBr)C(C)C	495387019	BIZNSIJSCZGFMI-BDAKNGLRSA-N	310.188	1.941	50	20	DDGD	
COCCOc1ccc(C(=O)NNC(=O)NCC2CC2)cc1	732063594	WCDDLVZVMRERHU-UHFFFAOYSA-N	307.350	1.066	50	20	DDGD	
O=C(N[C@@H](Cc1ccccc1)C1CC1)c1cccc(B(O)O)c1	584951621	XRYPVLIEGZTNHU-KRWDZBQOSA-N	309.174	1.118	50	20	DDGD	
CC(C)N1C[C@H](NC(=O)[C@@]2(C)C[C@@H]2Br)CC1=O	906501627	LHZZYFFZCVWBCA-PTRXPTGYSA-N	303.200	1.285	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)c2ccccc21	905333134	ZKSSSABTQHZCJA-COLVAYQJSA-N	311.341	1.164	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)NCC(F)(F)F)c(C)n1	907966532	CJEYQYIEYMDEAV-UHFFFAOYSA-N	304.272	1.513	50	20	DDGD	
CCc1nc(C(=O)NNc2cccnn2)nn1-c1ccccc1	736701733	BGJZMWLEAVBILN-UHFFFAOYSA-N	309.333	1.377	50	20	DDGD	
CCS(=O)(=O)N[C@H](C)C(=O)NNc1ccccc1Cl	830786295	MHGQPZLPAVWWDT-MRVPVSSYSA-N	305.787	1.111	50	20	DDGD	
Cc1cc(C)n(CC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)n1	738371832	ZXBFHUMKPYRZLU-UHFFFAOYSA-N	319.273	1.712	50	20	DDGD	
C[C@H](OC[C@@H]1CCCCO1)C(=O)NNc1ccc(C(=O)O)cn1	833535443	JCGUEPNZOINCGP-JQWIXIFHSA-N	323.349	1.197	50	20	DDGD	
COc1cccc(NNC(=O)C2CN(C3CCCCC3)C2)n1	837520501	IDVRLWXEYQNZRI-UHFFFAOYSA-N	304.394	1.798	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC(O)(C(=O)O)CC1	909285609	MZPLQKFCAGMQNR-QMMMGPOBSA-N	322.199	1.234	50	20	DDGD	
Cc1c(NNC(=O)[C@H](CC(C)C)C(N)=O)cccc1[N+](=O)[O-]	839709442	QCBBIUKLLQURDB-SNVBAGLBSA-N	308.338	1.494	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2conc2CC)nc1C	831779317	CDFYVIDALZBGEA-UHFFFAOYSA-N	319.321	1.269	50	20	DDGD	
CC[C@H](O)[C@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1OC	900045240	SUCZAOHIQCAREK-KWQFWETISA-N	314.769	1.517	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1NC(=O)NNC(=O)CSc1ccccc1O	838769069	ZMGWVZDXTQEQFQ-WDEREUQCSA-N	323.418	1.859	50	20	DDGD	
C=CCOC(=O)/C(C#N)=C\c1cnc2ccc(-c3nn[nH]n3)cn12	735437693	OUWIRBJLCSRIQW-WDZFZDKYSA-N	321.300	1.151	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCC(C2CCCC2)CC1	584954948	JJXUZLCUBKWKEX-UHFFFAOYSA-N	301.195	1.409	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNC(=O)COc1ccc(C)cc1	838777342	WNWXMFLQBUOSIW-KGLIPLIRSA-N	321.377	1.272	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2ncc(F)cc2F)C[C@@H](C)O1	838535175	QWSSXHBPSHQNPU-DIYOJNKTSA-N	300.309	1.942	50	20	DDGD	
COc1ccc(NNC(=O)Nc2nc3n(n2)CCCC3)nc1	836775349	TVUWXBUQYOBSJS-UHFFFAOYSA-N	303.326	1.167	50	20	DDGD	
COc1cc(F)cc(C[C@@H](C)NCc2ccc(B(O)O)cc2)c1	585044688	QIWWCORZHDBDCO-GFCCVEGCSA-N	317.169	1.235	50	20	DDGD	
C[C@@H](OC[C@H]1CCCCO1)C(=O)NNc1cccc(C(=O)O)c1	833536222	PSIXEZYUAYBLSV-BXUZGUMPSA-N	322.361	1.802	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccccc1-n1cccn1	833256383	NBBRULOUFSWVLU-CQSZACIVSA-N	314.345	1.202	50	20	DDGD	
O=C(NNc1cnccn1)[C@@H]1CCCN(Cc2cccnc2)C1	734245451	CZTMCPCHWAXCTR-CQSZACIVSA-N	312.377	1.227	50	20	DDGD	
CC(=NNC(=O)NCC(F)(F)F)c1ccc2c(c1)CC(=O)N2	917550870	LNGJIETWTBYMPX-UHFFFAOYSA-N	314.267	1.767	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1C	839775527	VOBGBJOQWDKIMC-VXGBXAGGSA-N	307.306	1.280	50	20	DDGD	
CCCn1nccc1C(=O)NNc1cccc(S(C)(=O)=O)c1	831744935	IPGBYFDUIYBFHL-UHFFFAOYSA-N	322.390	1.454	50	20	DDGD	
CC(C)[C@@]1(C)C[C@@H]1NC(=O)NNC(=O)c1cccc(C#N)c1	838768303	ZUHNTMFSKWTOQW-XJKSGUPXSA-N	300.362	1.937	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)N[C@H](C)C[C@@H](C)N)c1	831197977	XMBLWFAJWVUUAF-CHWSQXEVSA-N	322.409	1.138	50	20	DDGD	
CN(NC(=O)c1c2c(nn1C)CCCC2)C(=O)OC(C)(C)C	838370440	KYVKIEHLKPSPCB-UHFFFAOYSA-N	308.382	1.811	50	20	DDGD	
COC[C@H](C)NC(=O)NNC(=O)c1cccc2ccccc12	742710160	OMSLCOVCJVEVMX-NSHDSACASA-N	301.346	1.819	50	20	DDGD	
CC(=NNC(=O)c1cccc(S(C)(=O)=O)c1)c1ccccn1	915052270	MRMNYQCTENFHFR-UHFFFAOYSA-N	317.370	1.639	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCCCO2)cc(OC)c1O	834989941	LQOLUFLJWFRMOE-NSHDSACASA-N	308.334	1.429	50	20	DDGD	
CC[C@H](COC)NC(=O)NNc1cccc(Br)n1	838485704	LXDMMRVHYNUZJT-MRVPVSSYSA-N	317.187	1.895	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H](C)C(C)(C)C)c1	745048282	SBSTZFOERHSFDP-GFCCVEGCSA-N	320.389	1.981	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)N[C@H]1CCN(CC2CC2)C1	745832890	OKJDJVSQIRKAHY-LBPRGKRZSA-N	309.801	1.845	50	20	DDGD	
O=C(NN=C1CCCC[C@H]1N1CCCCC1)c1ncccn1	841664121	HROYLCRNZBBLHE-CQSZACIVSA-N	301.394	1.991	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1c(Cl)nc2ccccn12	843973333	KQQFLXGFHDNHLT-BDAKNGLRSA-N	322.752	1.174	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1C[C@H]1c1c(F)cccc1F	843650337	BFEAAQRFISCTOS-MMWGEVLESA-N	324.327	1.641	50	20	DDGD	
COc1cccc(C2(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)CC2)c1	843656544	PLENBVSKQKYNHO-BXUZGUMPSA-N	318.373	1.299	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc2c(F)cccc2[nH]1	843971766	DMEJKFIGTWMSBW-RKDXNWHRSA-N	305.309	1.493	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cccc(Br)n1	842561994	OOGQPCICJOEJPO-WCBMZHEXSA-N	312.167	1.719	50	20	DDGD	
Cc1nc2ccccc2cc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843642507	KJMYDOFMOTTYQF-YPMHNXCESA-N	313.357	1.729	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@H]2CC[C@@H]2C(N)=O)c(Cl)c1	848044282	GYIJBLBTHVJLKU-IUCAKERBSA-N	324.768	1.313	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1cc2occc2s1	743471565	ONYPAELMGUDUGH-UHFFFAOYSA-N	300.303	1.918	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1ccc(OCC(=O)O)cc1	842558082	RBWYBPYSIGSAHE-MFKMUULPSA-N	306.318	1.025	50	20	DDGD	
COc1cc(O)c(C=NNC(=O)[C@@H]2CCO[C@H]2C)cc1OC	842563312	YLOAYOXPYUFXOK-GXSJLCMTSA-N	308.334	1.285	50	20	DDGD	
CCn1nncc1/C=C(\C#N)C(=O)c1cccc2c1OCCO2	841484804	CGMWGKHJUVOVLW-DHZHZOJOSA-N	310.313	1.859	50	20	DDGD	
COc1cc(C)nc(NNC(=O)COc2cccc(Cl)c2)n1	746634590	KHIJTDJGHDUHDC-UHFFFAOYSA-N	322.752	1.969	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(S)n1)c1ccsc1	749098725	GWYVMTMYGWGYQA-UHFFFAOYSA-N	308.388	1.615	50	20	DDGD	
C[C@H](CSc1ccccc1)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843651501	NFJWTKYSBACGSX-DYEKYZERSA-N	322.430	1.987	50	20	DDGD	
CO[C@@]1(C)CC(=NNC(=O)CNC(=O)c2cccs2)C1(C)C	746575507	IHPCHYAYUHBESI-HNNXBMFYSA-N	323.418	1.785	50	20	DDGD	
CCc1noc(NC(=O)NNc2ccc(CC(=O)OC)cc2)n1	844686341	MUNNSEKMZJACLO-UHFFFAOYSA-N	319.321	1.496	50	20	DDGD	
COC[C@]1(CNC(=O)NNc2c(C)cccc2F)CCCN1	841994108	LRSVMPYRGRNLDC-OAHLLOKOSA-N	310.373	1.529	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1ccccc1Cl	743446106	NHCGQDOKMLHLCL-UHFFFAOYSA-N	320.736	1.624	50	20	DDGD	
C[C@@H](CN1CCCCCC1)C(=O)NN=Cc1cccc(C#N)n1	841615460	YTWXCCJSEASLIY-AWEZNQCLSA-N	313.405	1.915	50	20	DDGD	
O=C(NNc1cccc2cnccc12)[C@H]1CC(=O)N(C2CC2)C1	748769178	FHFQRXINTOJZQE-LBPRGKRZSA-N	310.357	1.689	50	20	DDGD	
O=C(CN(CCc1ccc(F)cc1)C1CC1)NNC(=O)C1CC1	741792420	RPCXKNWNVRQYHH-UHFFFAOYSA-N	319.380	1.390	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCN1CCc2ccccc21	926792815	DGHJDSNYEUPWPG-UHFFFAOYSA-N	304.394	1.426	50	20	DDGD	
C[C@H](CCCCN)NC(=O)NNC(=O)C(C)(C)c1ccccc1	841996805	AMXRDUUJJCNBNK-CYBMUJFWSA-N	320.437	1.812	50	20	DDGD	
C[C@@H](COCC(F)(F)F)NC(=O)NNC(=O)C1CCCC1	743341694	QPBHRWTZSCYPRE-QMMMGPOBSA-N	311.304	1.474	50	20	DDGD	
C#CCOc1ccc(C(=O)NNC(=O)CC(F)(F)F)cc1	743318040	VTBKJBSIEATKFX-UHFFFAOYSA-N	300.236	1.412	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cc(Cl)c(Cl)[nH]1	923066278	IIKJVPQVTDFYFB-UHFFFAOYSA-N	306.149	1.509	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cccc(Cl)c1O	753167319	YRXUGJWMMUTANT-SECBINFHSA-N	300.742	1.547	50	20	DDGD	
O=C(NCCOCC1CCCC1)NNC(=O)c1cccc(F)n1	852376141	AATBIMSEDZXVTA-UHFFFAOYSA-N	324.356	1.372	50	20	DDGD	
C[C@]1(CNC(=O)NCc2cccnc2O)C[C@H]1Br	858627481	ALBBEPATHKMQGM-BXKDBHETSA-N	314.183	1.760	50	20	DDGD	
CC[C@@H](C)CC[C@H](O)CC(=O)NNC(=O)OCC(F)(F)F	856020390	FTIDMGPQULYRSR-BDAKNGLRSA-N	314.304	1.883	50	20	DDGD	
CO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)C12CCC2	852710049	IJICXHPNDGZAJV-GHMZBOCLSA-N	322.340	1.122	50	20	DDGD	
CC(C)NC(=O)CNC(=S)NC[C@]1(C)C[C@@H]1Br	857204661	VIYAYWSUQZEUFY-KWQFWETISA-N	322.272	1.149	50	20	DDGD	
CCN1C[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2F)CC1=O	855620708	CYWWUHYIYVTUNM-QMMMGPOBSA-N	310.285	1.045	50	20	DDGD	
O=C(CC[C@@H]1CCOC1)NNC(=O)COc1ccc(F)cc1	751297914	MLYGBZLWUGTXON-LLVKDONJSA-N	310.325	1.169	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C	858092518	XIVFLEHHGRMAED-COMAGPEQSA-N	321.333	1.415	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1cccc(C#N)c1	758380513	MPUDCRQYELKIRQ-UHFFFAOYSA-N	307.313	1.432	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc(-c2ccccn2)nc1O	920275409	WRLQCCSOEWAHSH-UHFFFAOYSA-N	314.345	1.656	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)NC[C@@H](C)C1CC1	920048945	GPNWVCLRJAWTRH-LLVKDONJSA-N	321.377	1.451	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)N[C@@H]1CCC(=O)N(C)C1=O	922963584	UPHXRMCERHKYSV-LLVKDONJSA-N	324.768	1.422	50	20	DDGD	
CCCn1ccnc1CCCN(C)[C@@H](C)C(=O)NNC(=O)CC	759759500	DSFZIJMOTJDAFH-ZDUSSCGKSA-N	323.441	1.103	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ncc(Cl)cn2)[C@H]2CCCC[C@H]2N1	857359059	PZGIHIGIBWPRRY-OUAUKWLOSA-N	323.784	1.268	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1)c1nccn1C	755588149	NWZPBVNPELAYGI-UPJWGTAASA-N	321.425	1.006	50	20	DDGD	
CO[C@@H](C)CNC(=O)NNC(=O)c1cccc2ccccc12	852141020	BTLIIJKFBQJURR-NSHDSACASA-N	301.346	1.819	50	20	DDGD	
C[C@@H](Sc1ccccn1)C(=O)NNC(=S)NCC1CCC1	855090915	VEJANHYVTZXIDU-SNVBAGLBSA-N	324.475	1.858	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)cn1	855108037	SZFOMCLFTLPRJQ-PTJCHJMSSA-N	312.333	1.540	50	20	DDGD	
COC(=O)C[C@@H]1CCC(=NNC(=O)c2cccc(F)n2)[C@@H]1C	853444920	UFESKNRDMXMNDJ-ZJUUUORDSA-N	307.325	1.916	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)c1cccc(F)n1	856424508	NNFLTWMIDRRAQE-PWSUYJOCSA-N	309.341	1.577	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@@H](C)C2(CO)CC2)cc(C#N)n1C	855480171	YIVJHYILQIWVBG-JVXNRYDGSA-N	312.373	1.389	50	20	DDGD	
CCCOc1cc(C=NNC(=O)c2cc[nH]n2)ccc1OC	853393181	XDSATGRGXNULKT-UHFFFAOYSA-N	302.334	1.971	50	20	DDGD	
O=C(NNc1cc(F)ccc1Br)[C@@H](O)C1CC1	854939994	BTZVNKDMEHEQFS-JTQLQIEISA-N	303.131	1.802	50	20	DDGD	
C[C@@H](CBr)COC(=O)/C=C\c1ccc(C(N)=O)o1	853928040	HUCFCKRXAPUOQD-NHLYECAPSA-N	316.151	1.966	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1ccc(O[C@@H]2CCOC2)cc1	853368626	NXTKRUFFNHKWPS-MAZHCROVSA-N	318.373	1.729	50	20	DDGD	
CC1(C)C[C@]1(C(=O)O)C(=O)NNc1nc(-c2cccnc2)no1	852951211	ORUCMCKIOMKIPV-CQSZACIVSA-N	317.305	1.076	50	20	DDGD	
CC[C@@H]1CCC[C@H]1CNC(=O)NNC(=O)c1cccc(F)n1	852365745	DJRZDJUANXBHAY-MNOVXSKESA-N	308.357	1.991	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CC(C)(C)C)n1nnnc1C(C)(C)C	758016264	LKEBPJNNLDJDHD-VIFPVBQESA-N	310.402	1.115	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cnn(CCCC)c1C	930481989	IMCCHECNDYPWSC-UHFFFAOYSA-N	305.382	1.948	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CC2CC2)cc1N1CCOCC1	868591329	ZLCQENOMRRSVKR-UHFFFAOYSA-N	317.389	1.393	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2ccc(F)c(F)c2N(C)C)n[nH]1	863078073	ZYZNMDBXVAWHRE-UHFFFAOYSA-N	321.331	1.755	50	20	DDGD	
CC[C@H]1CN([C@@H](CC)C(=O)NNc2cccc(C)n2)CCO1	862520382	WAJIDHSTQZRUEI-KBPBESRZSA-N	306.410	1.723	50	20	DDGD	
C[C@H](NNC(=O)CN1C(=O)CCc2ccccc21)C(F)(F)F	862313817	OXCCMAFHBAWGQM-VIFPVBQESA-N	315.295	1.537	50	20	DDGD	
CC(C)c1cccc(O[C@@H](C)C(=O)NNC(=O)c2cn[nH]c2)c1	862474344	KYODDOCFWIYGGK-NSHDSACASA-N	316.361	1.762	50	20	DDGD	
Cn1cc(C(=O)NNCC(F)(F)C(F)(F)F)c(C(F)F)n1	863098175	XDNRBUVIQUERLW-UHFFFAOYSA-N	322.184	1.790	50	20	DDGD	
O=C(NNc1ccc(F)c(Cl)c1)[C@H]1CCCS(=O)(=O)C1	863083120	YBJAJPBKQKFSOL-QMMMGPOBSA-N	320.773	1.747	50	20	DDGD	
Cc1cc(=NNC(=O)C(=O)Nc2scnc2C(C)C)cc[nH]1	861961025	UOBHDSXGJNJKAU-UHFFFAOYSA-N	319.390	1.474	50	20	DDGD	
O=C(NNc1cccc(Br)c1)c1ccc[n+]([O-])c1	932484592	DWVHRPHHLPHDLU-UHFFFAOYSA-N	308.135	1.839	50	20	DDGD	
CC(C)Oc1cncc(C(=O)NNC(=O)c2ccccc2O)c1	767825729	XIZNHQRXLRXQBL-UHFFFAOYSA-N	315.329	1.649	50	20	DDGD	
O=C1CSC[C@@H](C(=O)NNc2ccc(Cl)cc2Cl)N1	935016235	CIHLTGCGXYQFSD-VIFPVBQESA-N	320.201	1.668	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NNCC(F)(F)C(F)(F)F	863098326	DIIHKHRYXNKLKJ-BQBZGAKWSA-N	302.243	1.810	50	20	DDGD	
CC[C@@H](C(=O)NN[C@H](C)C(F)(F)F)N1CCO[C@H](CC)C1	862319863	LTSAKWXWNBXTHI-MXWKQRLJSA-N	311.348	1.447	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2cnc(C3CCCC3)s2)N1	863147319	COYONGVRLZZDJR-NSHDSACASA-N	306.391	1.529	50	20	DDGD	
Nc1ncccc1C=NNC(=O)COc1ccc(Cl)cc1	764664999	GUWMVXMXEHRZPZ-UHFFFAOYSA-N	304.737	1.846	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCc2ccnn2C)c1	763162918	ZOEKZLDCUACBBZ-UHFFFAOYSA-N	317.349	1.076	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cnn(C2CC2)c1	860605364	FHLSLPRABVJEEH-UHFFFAOYSA-N	300.318	1.762	50	20	DDGD	
O=C(NNC(=O)[C@@H]1SCCc2sccc21)c1cn[nH]c1	862472870	VNQLHLVDAPRBBQ-SNVBAGLBSA-N	308.388	1.263	50	20	DDGD	
CN(C)C(=O)NN=C1C(=O)Nc2ccc(OC(F)(F)F)cc21	863085053	SVIBSJVKTCFSLA-UHFFFAOYSA-N	316.239	1.513	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCc2ccc(F)cn2)cc1	764375978	DQJQSIYLKYODDX-UHFFFAOYSA-N	313.292	1.237	50	20	DDGD	
COc1ccc(C(=O)NN[C@H](C)C(F)(F)F)c(OC)c1OC	862302964	GTSXTQKKUWCQIZ-SSDOTTSWSA-N	322.283	1.898	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1	765914265	BFESJQNEFWQSEO-UONOGXRCSA-N	321.377	1.274	50	20	DDGD	
CNc1c(C(=O)NNC(=O)c2ccncc2)cccc1[N+](=O)[O-]	765365002	FAULVRRTPKLWOH-UHFFFAOYSA-N	315.289	1.106	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H](C)OCC(C)C)n1	762899308	BBGVQVLAHFAXAY-GFCCVEGCSA-N	309.414	1.827	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)c2nc3ccccc3s2)CO1	874913545	FCMCLBZDKXLEOQ-RKDXNWHRSA-N	305.359	1.482	50	20	DDGD	
CC[C@H]1CCCCN1CCNC(=O)NN=c1cc[nH]c(C)c1	875306409	NSFVBJQSHWUUJE-HNNXBMFYSA-N	305.426	1.703	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=S)Nc1ccc(OC)nc1	874954749	BYGDPQFAXZQAJJ-SNVBAGLBSA-N	312.395	1.223	50	20	DDGD	
O=C(NN=Cc1cn(C[C@@H]2CCCO2)nn1)NC1CCCC1	872346200	LGUDVQSFMNRMKF-ZDUSSCGKSA-N	306.370	1.033	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)c2cc3c(s2)CCC3)c[nH]1	778527793	OKJUOPBJPHXNRH-UHFFFAOYSA-N	300.343	1.511	50	20	DDGD	
CN1CCN(c2ccc(/C=C(/C#N)C(N)=C(C#N)C#N)cc2)CC1	771520890	PCFOCTADWXRRTI-GDNBJRDFSA-N	318.384	1.605	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C[C@H]1C=CCCC1	778403576	XPAHRAFSLHFCRD-STQMWFEESA-N	310.394	1.858	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)Cn1ccc2ccccc21	772039242	NCMVAHCLXLLTGB-NSHDSACASA-N	317.345	1.130	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc(OC(F)F)cn2)n1	771989251	PXUJNMPXIVKGCT-UHFFFAOYSA-N	309.276	1.847	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])o1	1116867349	DKSQHXUCSMYHSJ-UHFFFAOYSA-N	323.236	1.870	50	20	DDGD	
O=C(NNC(=O)[C@@H](F)c1ccccc1)c1n[nH]c2c1CCCC2	1116648785	OYMMSFVDFFLEGJ-ZDUSSCGKSA-N	316.336	1.760	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccccc1)N1CCO[C@H](CC)C1	773690370	LJLUQEYCXUYSEK-CABCVRRESA-N	319.405	1.337	50	20	DDGD	
CCS(=O)(=O)c1ccc(NC(=O)NN(C)CCOC)cc1	878111557	HIVKZLMKGSUEAJ-UHFFFAOYSA-N	315.395	1.095	50	20	DDGD	
CCC1(C(=O)NNC(=S)NCCSC)CCOCC1	778955386	DNECVYRNPGWHCS-UHFFFAOYSA-N	305.469	1.052	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN[C@@H](c2cccc(OC)c2)C1	870149967	HONSKUXOYLJDFO-OBEJXRGXSA-N	315.373	1.612	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccccc2O)ccc1O	779512650	AQCFUYYMMJBNKJ-UHFFFAOYSA-N	316.313	1.246	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)CCc1ccccc1[N+](=O)[O-]	779816841	NKIJLTYQETYCGO-UHFFFAOYSA-N	322.321	1.376	50	20	DDGD	
O=C(NNC(=O)N1CC=CCC1)c1cc(Br)c[nH]1	778587020	MOQSORQDKAAWBN-UHFFFAOYSA-N	313.155	1.394	50	20	DDGD	
CC[C@H](C)n1nc(C(=O)NNC(=O)c2c[nH]nc2C)cc1C	778260650	JSLWQXCFYQYMDZ-QMMMGPOBSA-N	304.354	1.269	50	20	DDGD	
C[C@H]1CN(c2ccc(C(=O)NNc3nc[nH]n3)cc2)C[C@@H](C)O1	880018169	NDYYBXPPECTFAQ-PHIMTYICSA-N	316.365	1.175	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)[C@@H]1CCc2nnc(C)n2C1	771713547	IVJXDLZLRIMZBZ-LLVKDONJSA-N	303.341	1.740	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1cscc1Cl	880976912	ILMHTUZZIVWYOT-ZETCQYMHSA-N	321.786	1.606	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1ccc2c(c1)OCO2)C(F)F	881013751	FYJHBZHXVRKQAG-QMMMGPOBSA-N	315.276	1.403	50	20	DDGD	
COc1cc(NNC(=O)N[C@H]2CC(=O)N(C)C2)ccc1Cl	789066144	RLXSZJSFYXGRLT-VIFPVBQESA-N	312.757	1.205	50	20	DDGD	
CC(=O)NNC(=O)c1cccc(CNC(=O)OC(C)(C)C)c1	786689800	YEGLNGYLFIUZDB-UHFFFAOYSA-N	307.350	1.492	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C1CCOCC1)c1ccc(F)cc1	883068035	FSFSMSSDLJCCKT-AWEZNQCLSA-N	308.353	1.893	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NC[C@@H]2CCCCS2)cc1	784252731	ZEIOQDIVSFLOKP-ZDUSSCGKSA-N	318.402	1.788	50	20	DDGD	
C[C@@H](CN1CCOCC1)NC(=O)[C@H](Br)C(C)(C)C	781075428	UCQSKHPDUVRMJM-QWRGUYRKSA-N	321.259	1.633	50	20	DDGD	
COC(=O)[C@H]1CCC[C@H](C(=O)NNC(=S)NC(C)(C)C)C1	899996064	FHTZQAWFHQKTIS-UWVGGRQHSA-N	315.439	1.260	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2cnc3ccccc3n2)C1	787272260	YQFOKCBLGPASPV-GHMZBOCLSA-N	313.361	1.365	50	20	DDGD	
CC(C)[C@@H](CNS(=O)(=O)CBr)c1ccnn1C	788076597	DOLFLXJOZTWJSJ-SECBINFHSA-N	324.244	1.432	50	20	DDGD	
C[C@@H](CN1CCOCC1)OC(=O)/C(C#N)=C/c1ccc(O)cc1	782280049	HZVPVHKPOSWMOT-LERPTODRSA-N	316.357	1.563	50	20	DDGD	
Cn1nc(CC(=O)NNC(=S)NC(C)(C)C)c2ccccc21	899998499	QTGXYHSYZLQBCG-UHFFFAOYSA-N	319.434	1.410	50	20	DDGD	
COc1cccc(NNC(=O)c2cccc(C3OCCO3)c2)n1	780771436	SNSONHAIGFPGPO-UHFFFAOYSA-N	315.329	1.893	50	20	DDGD	
O=C(NN=C1CCCc2c[nH]nc21)Nc1ccc(C(=O)O)cc1	789021488	ZYLNGVMKWCJAQE-UHFFFAOYSA-N	313.317	1.970	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12	780709800	VGLSSBUWUMQNRK-UHFFFAOYSA-N	305.294	1.382	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H](C)CN2C[C@H](C)O[C@@H](C)C2)sn1	785451711	USTFKLVOPSKWBG-WXHSDQCUSA-N	324.450	1.647	50	20	DDGD	
Cn1cc(/C=C\C(=O)NNc2cccc(F)c2[N+](=O)[O-])cn1	790585440	PROWRBAKHPUNPP-WAYWQWQTSA-N	305.269	1.624	50	20	DDGD	
O=C(NN=Cc1cc(C(F)(F)F)n[nH]1)c1ccc(O)c(O)c1	799487167	DUVJXAOICXNSJY-UHFFFAOYSA-N	314.223	1.604	50	20	DDGD	
C[C@@H]1CCC[C@H](OCC(=O)NNc2nc3ccccn3n2)C1	791259387	QNJCIGHUTNLCOY-NEPJUHHUSA-N	303.366	1.768	50	20	DDGD	
Cc1cccnc1NNC(=O)c1c(C)oc2ncn(C)c(=O)c12	791214535	ITOMSTNJFHLTSD-UHFFFAOYSA-N	313.317	1.295	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1ccc(N)c([N+](=O)[O-])c1	799109848	LLOHYPJGFAPGMM-UHFFFAOYSA-N	302.294	1.065	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1coc(C(C)C)n1	799482993	CMZBPZLUHFDGJY-UHFFFAOYSA-N	315.333	1.672	50	20	DDGD	
COc1cc(OC2CC2)ccc1C(=O)NNC(=O)c1ccc[nH]1	790197869	BBPWESZSNTVVAM-UHFFFAOYSA-N	315.329	1.639	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccn(-c2cccc(C#N)c2)n1	798937809	VZKPKLMUTLXEAD-UHFFFAOYSA-N	312.333	1.096	50	20	DDGD	
CC(C)n1cnc(C(=O)NNC(=O)c2ccc(Cl)cc2O)c1	799100041	DXTZEICZCRHNAW-UHFFFAOYSA-N	322.752	1.898	50	20	DDGD	
Cn1cc(C=NNC(=O)CN2CCCC2=O)c2cc(F)ccc21	794850202	GTJXUNMOEZEBTN-UHFFFAOYSA-N	316.336	1.390	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2CCCc3nn(C)cc32)n1	794479977	JFPDOMQXNAVARO-UHFFFAOYSA-N	300.366	1.090	50	20	DDGD	
COCC(=O)NN[C@@H](C(=O)OC)c1ccc(Cl)c(Cl)c1	790535075	XJRMPNBLKFVFNY-LLVKDONJSA-N	321.160	1.475	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)c1cc(Br)c[nH]1	794888721	BIUDYGMPKHOZSM-NSHDSACASA-N	318.171	1.353	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)Nc1ccc(N(C)C)cc1)C1CC1	798126693	BHBCZBXFYUVOTC-CYBMUJFWSA-N	306.366	1.330	50	20	DDGD	
O=S(=O)(N[C@@H](CO)CC(F)F)c1ccc(CCl)cc1	717707979	ZTZDBOMBHZOECK-SECBINFHSA-N	313.753	1.720	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cc(=O)n(C)c2ccccc12	1317874808	HRMMFBFXUCPIPT-UHFFFAOYSA-N	301.346	1.346	50	20	DDGD	
C[C@@H](C[C@H]1CCOC1)NC(=O)NNc1nncc(N)c1Cl	1319224594	ROCJEEJJSFOVFB-JGVFFNPUSA-N	314.777	1.153	50	20	DDGD	
CC(C)CCNC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1329505221	AQJZSPFWAUPWCJ-BXKDBHETSA-N	305.216	1.438	50	20	DDGD	
Cc1ccc2c(c1)[C@@H](NC(=O)NNC(=O)C1CCNCC1)CC2	1329629568	CTZOWSQOTUXXRZ-HNNXBMFYSA-N	316.405	1.312	50	20	DDGD	
N#Cc1ccc2c(c1)N(C(=O)C(=O)NNc1ccccc1F)CC2	1326015561	IOIITSZEGOTPPQ-UHFFFAOYSA-N	324.315	1.730	50	20	DDGD	
CC(C)CNC(=O)CNC(=O)/C(C#N)=C/c1ccc(F)cc1	1323745457	YWMBRONGEZKNMB-NTUHNPAUSA-N	303.337	1.621	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCCC[C@H]2N(C)C)n1	1256324383	LERDKEBZXZQZCD-TZMCWYRMSA-N	319.409	1.207	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)[C@H]2CCC[C@H](C(N)=O)C2)nn1	1338784783	FTILGONVECULEC-QWRGUYRKSA-N	319.409	1.509	50	20	DDGD	
COC(=O)C[C@@H]1COCCN1C(=O)c1cccc(CCl)c1	1335920901	FUKWPUKJVRMEPS-CYBMUJFWSA-N	311.765	1.830	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1ccc(C(F)F)cc1	1262759932	OWALMUIQCQPHTP-UHFFFAOYSA-N	323.299	1.514	50	20	DDGD	
C[C@]1(COC(=O)C[C@H]2CCCC(=O)N2)C[C@@H]1Br	1345265082	IRFXYRAILSGHML-VDDIYKPWSA-N	304.184	1.762	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1occ(C)c1C	1345354229	IVKZRTMLXYZUKI-UHFFFAOYSA-N	318.329	1.745	50	20	DDGD	
O=C(NCCc1ccc(C(=O)O)cc1)NNc1ncccn1	1601511298	OQZVSVFFEBSPFK-UHFFFAOYSA-N	301.306	1.044	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)c(F)c1)NOC/C=C\Cl	1601555174	VUXFROGTTPIBRQ-RJRFIUFISA-N	303.677	1.834	50	20	DDGD	
Cc1ncc(NC(=O)NNc2ncccc2F)cc1C(=O)O	1600742833	AWPMLFJELWWOAB-UHFFFAOYSA-N	305.269	1.771	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)CCc2ncccn2)cc1	1602127437	QNSQKYCACSWCHF-UHFFFAOYSA-N	300.318	1.180	50	20	DDGD	
Cc1ccc(NNC(=O)C2(C(=O)N(C)C)CC2)cc1C(=O)O	1610509437	IIRKKLIJTCYBKT-UHFFFAOYSA-N	305.334	1.005	50	20	DDGD	
Cc1cccc(C)c1C=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549315399	BISGBAMVYNFLEY-GOEBONIOSA-N	301.390	1.617	50	20	DDGD	
Cc1cccc2c1C(=NNC(=O)[C@H]1CN3CCC[C@@H]3CO1)CC2	1549312994	GGHHTASOPRWNNM-GDBMZVCRSA-N	313.401	1.625	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1ccccc1F	1549315530	NWSUZIRDOWMBEC-IUODEOHRSA-N	305.353	1.529	50	20	DDGD	
Cn1cc([C@H]2OCCC[C@H]2C=NNC(=O)c2cn[nH]c2)cn1	1552673325	VYTDURYCUHBEKN-GWCFXTLKSA-N	302.338	1.027	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2c[nH]c(C(F)(F)F)c2)CC1	1649808332	JCCWZOBDJCXJCU-UHFFFAOYSA-N	305.281	1.878	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2cnn(C3CCOCC3)c2)CC1	1647138300	APFDVFQCPCWUEL-UHFFFAOYSA-N	322.390	1.079	50	20	DDGD	
N[C@H](Cc1cc2ccccc2o1)C(=O)NNC(=O)C1CCCC1	1580135146	XRJCIVJRCREIAA-CQSZACIVSA-N	315.373	1.640	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)Cc1cc[nH]n1)C2	1845167052	GAEJZWXILPFXDJ-LBPRGKRZSA-N	324.812	1.173	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)Nc1cccc2c1CCNC2	1580742941	KRHQITGVWMGDCJ-UHFFFAOYSA-N	318.768	1.924	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)[C@H]1CNc2ccccc21	1580743066	OTYRBJMPGLLRMR-LBPRGKRZSA-N	321.340	1.988	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cc(F)cc(-c2nn[nH]n2)c1	1589536217	HJZDHPQQEPFCOI-UHFFFAOYSA-N	321.316	1.205	50	20	DDGD	
CC(C)[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(Cl)Cl	1847634892	RHLZKQJCQWHKCT-LPEHRKFASA-N	323.220	1.009	50	20	DDGD	
CCC1(CNC(=O)NNc2ccc(F)c(C(=O)O)c2)COC1	1595378940	QQOJYHNYTFWTTR-UHFFFAOYSA-N	311.313	1.577	50	20	DDGD	
CO[C@](C)(C(=O)O)C(=O)NNc1ccccc1Br	1593926325	GOMXEORFOCDOEQ-NSHDSACASA-N	317.139	1.382	50	20	DDGD	
O=C(CCl)N[C@@H](c1cccc(-c2nn[nH]n2)c1)C(F)(F)F	1592859133	CWYVLCQXPZCOTI-VIFPVBQESA-N	319.674	1.825	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)C(=O)O)c1ccc(Cl)cc1	1590726416	IEWOUAIPZMBIOS-UHFFFAOYSA-N	313.741	1.033	50	20	DDGD	
C[C@@H]1C(=NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C	1590180767	JBJJNYJHBZIHPR-ZJUUUORDSA-N	314.349	1.394	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)C12CCC(C(=O)O)(CC1)CC2	1591213873	HNTMSQJDMSLVRY-UHFFFAOYSA-N	310.394	1.995	50	20	DDGD	
Cc1c(C(=O)O)cc(C=NNC(=O)c2ccc(C#N)cc2)n1C	1599984426	JSJHRJBVWNIEMK-UHFFFAOYSA-N	310.313	1.667	50	20	DDGD	
N#Cc1ccc(NNC(=O)Nc2ccnc(-c3nn[nH]n3)c2)cc1	1592697037	KPFUVPBHTOSZPU-UHFFFAOYSA-N	321.304	1.282	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cccc3ncccc23)n1	14323210	ACYQEVCQNUQWBL-UHFFFAOYSA-N	323.356	1.509	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNC(=O)c1c[nH]c2ccccc12	17523781	JSCLZKFNBZAQOY-UHFFFAOYSA-N	312.329	1.776	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@H]1[C@H]2CCO[C@@H]2C12CCC2	161149455	WNWIOQSEBJFYDM-ZHAHWJHGSA-N	323.784	1.714	50	20	DDGD	
NC(=O)NCCCCCC(=O)NNc1cccc([N+](=O)[O-])c1	151690821	ZTBKLMYPVHOUTD-UHFFFAOYSA-N	309.326	1.267	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cccc2[nH]c(=O)oc12	152680873	MHELNHFMHCXWQA-UHFFFAOYSA-N	314.257	1.786	50	20	DDGD	
O=C(NNc1ccncc1Cl)c1n[nH]c(=O)c2ccccc12	154678503	FJHZDEKHPMRCBI-UHFFFAOYSA-N	315.720	1.728	50	20	DDGD	
O=C(O)CCSSCCNC(=O)c1c(F)cncc1F	2088605284	SJLSPBCZKBSRLB-UHFFFAOYSA-N	322.358	1.946	50	20	DDGD	
N#C/C(=C/c1ccco1)C(=O)NS(=O)(=O)CC1CCOCC1	584907211	GBEKYTVDPAYBCQ-WQLSENKSSA-N	324.358	1.059	50	20	DDGD	
CC[C@H](CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)C(C)C	105365252	JPOJPAWSQPIYQS-CHWSQXEVSA-N	304.456	1.551	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(N2CCOCC2)c(F)c1	106743258	YFEPZJRUAOPTIK-UHFFFAOYSA-N	323.368	1.469	50	20	DDGD	
CNC(=O)NNC(=O)/C=C/c1ccccc1OC(F)(F)F	56376861	BBDXQMWTCPVSEG-VOTSOKGWSA-N	303.240	1.559	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccccc1[N+](=O)[O-])N1CCCC1=O	175183832	XLRNSAXWTCFFKM-NSHDSACASA-N	306.322	1.439	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](C)c1cccc(F)c1	173893202	FPYZDTYKTSACDT-JTQLQIEISA-N	323.368	1.381	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)N2[C@@H](C)CC[C@H]2C)c(O)c1	101648235	MFCSJHUMYZCVBP-XQQFMLRXSA-N	319.405	1.723	50	20	DDGD	
O=C(/C=C/c1cccnc1)NNC(=O)Cn1ccc2ccccc21	104630716	SHNYLZXXCGMRQT-BQYQJAHWSA-N	320.352	1.897	50	20	DDGD	
Cc1cc(NNC(=O)c2ccn(-c3ccc(F)cc3)n2)ncn1	172273564	LDRNJDAVTPIWLZ-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
O=C(CSCc1cscn1)NNC(=O)c1ccncc1	119162239	KUOISXZOCKOBGY-UHFFFAOYSA-N	308.388	1.233	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)nc1O	23309966	WXDQGPONXFVKJZ-MRVPVSSYSA-N	323.740	1.450	50	20	DDGD	
COC(=O)c1ccccc1S(=O)(=O)NCC(Cl)Cl	310625589	CSBMUAYZCUJWHJ-UHFFFAOYSA-N	312.174	1.555	50	20	DDGD	
CC(C)(C)N1C[C@@H](NC(=O)NNC(=O)c2ccccc2)CC1=O	79075955	YXTJXVFBUYVXQE-LBPRGKRZSA-N	318.377	1.030	50	20	DDGD	
C[C@H]1[C@H](C)CCN1C(=O)NNC(=O)COCc1ccccc1	177002443	TZRHSYUPQNLPBL-OLZOCXBDSA-N	305.378	1.674	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)c(F)c1	126128844	GWCKMNYQJDZDIH-UHFFFAOYSA-N	309.341	1.656	50	20	DDGD	
C[C@H](NC(=O)CC(C)(C)C)C(=O)NNc1ccc(C#N)cc1	187078569	MTJQACZGKXZQBV-NSHDSACASA-N	302.378	1.942	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCc1ccco1	73117467	HGYDORPQIUYTAG-JTQLQIEISA-N	321.308	1.717	50	20	DDGD	
CC(C)(C(=O)NNC(=O)C(=O)Nc1ccccn1)C1CCCC1	128479855	LIHWCKXUFXPXIM-UHFFFAOYSA-N	318.377	1.384	50	20	DDGD	
O=C(COc1ccc(Cl)cc1)NNC(=O)NCc1ccco1	120157738	CGHHSAQTVLPLLT-UHFFFAOYSA-N	323.736	1.842	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccnc(C)c2)c(O)c1	183436773	AFEMZVWZXNNBTP-UHFFFAOYSA-N	300.318	1.871	50	20	DDGD	
N#Cc1cc(F)ccc1NC(=O)NNC(=O)c1ccccc1O	186430495	WIZRARFCFWSJMV-UHFFFAOYSA-N	314.276	1.869	50	20	DDGD	
CC(=O)N[C@@H](C)C(=O)NNc1ccc(OC(F)(F)F)cc1	134270723	BLKSUCYHFBHONI-ZETCQYMHSA-N	305.256	1.553	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)CCCOC(C)C	184003607	HQKPIYBXYVQOJD-UHFFFAOYSA-N	322.405	1.980	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccn(C)n2)cc1C#N	134496929	XNMUBGLRYYCROG-JYRVWZFOSA-N	307.313	1.846	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)NCCCOC)c1ccccc1	139524474	RHEXUTOYVLJKBI-ZDUSSCGKSA-N	309.366	1.131	50	20	DDGD	
O=C(NNC(=O)C(F)F)c1ccc(COc2ccccc2)o1	192643845	KFNLLQPZKJUQJG-UHFFFAOYSA-N	310.256	1.885	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1	133312950	GSGHDZKUOZCWJW-RYUDHWBXSA-N	323.780	1.116	50	20	DDGD	
Cc1nc(C(F)(F)F)ccc1C(=O)NNC(=O)c1ccncc1	193128224	NJSKSXLIRGXKQI-UHFFFAOYSA-N	324.262	1.879	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(Br)cn1	131788842	OAIBJVDVERHIRD-UHFFFAOYSA-N	324.138	1.400	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1C	132268558	RIGYRQCIAJANBB-UHFFFAOYSA-N	309.391	1.002	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)NCC1CCCC1	46887381	GQWAIQQBLZSJLM-UHFFFAOYSA-N	321.377	1.595	50	20	DDGD	
CC1CCN(CC(=O)NNC(=O)Cc2ccc(F)cc2)CC1	136090016	PFKRFZVQEVVCQA-UHFFFAOYSA-N	307.369	1.248	50	20	DDGD	
CCOC[C@H](NC(=O)NNc1ccc(Cl)nn1)C(C)C	191824166	FAWIPHDTMCTBAL-VIFPVBQESA-N	301.778	1.817	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)c2ccncc2)cc1C	193124198	CWYSHHMCJJCVEG-UHFFFAOYSA-N	313.357	1.929	50	20	DDGD	
CC[C@@H](C)[C@H](C)NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	98120447	CMIRWOQLPCWYNL-ZJUUUORDSA-N	308.338	1.973	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1cccc(N2CCCC2=O)c1	255067734	WZAUCIWEFBGTSK-OWBHPGMISA-N	313.357	1.874	50	20	DDGD	
COc1cc(C=NNC(=O)c2cccnc2)cc([N+](=O)[O-])c1O	254826555	SNJOTYIFXMXYFA-UHFFFAOYSA-N	316.273	1.468	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1cc(F)c(F)cc1F	264399292	OBCHFEWEGJTBBS-UHFFFAOYSA-N	310.297	1.460	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)C1CCC1)N1CCc2ccccc21	264727122	MCUZIXCFDZCAIJ-GFCCVEGCSA-N	316.405	1.568	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2ccn(C(C)C)n2)c1	264980285	IHPAQRXQCMPKNX-UHFFFAOYSA-N	316.361	1.612	50	20	DDGD	
O=C(NNC(=O)N1CCOC[C@H]1c1ccco1)c1ccccc1	360985847	RZTKHGPHSVPNSE-ZDUSSCGKSA-N	315.329	1.708	50	20	DDGD	
O=C(CSC[C@H]1CCCCO1)NNC(=O)Cc1ccncc1	266956941	KNXDOCMJCLVSJK-CYBMUJFWSA-N	323.418	1.074	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)n1	366874608	VPUMEAUXJIROGQ-CHWSQXEVSA-N	318.377	1.103	50	20	DDGD	
COC(=O)COc1cccc(NC(=O)NNC(=O)C(C)(C)C)c1	271451423	XIBRJYVCVMSRJX-UHFFFAOYSA-N	323.349	1.437	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](CC(=O)NNC(=O)c2ccccn2)CCO1	273051007	BNSDQWJOONULCP-JSGCOSHPSA-N	305.378	1.684	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCSCC[C@H]1C	276743120	YQUIQGLDOMZIJO-LLVKDONJSA-N	323.418	1.877	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc2c1oc(=O)n2C	273448038	ODJJPKVRWAGURM-QMMMGPOBSA-N	306.322	1.330	50	20	DDGD	
CC(C)[C@@H]1C[C@H](CC(=O)NNC(=O)Cc2ccncc2)CCO1	273074124	GCWMXYCNRDFQIN-CABCVRRESA-N	319.405	1.613	50	20	DDGD	
CCS(=O)(=O)CCN(C)/C(=C/C#N)c1cccc([N+](=O)[O-])c1	270407865	QPICLYUILOYCSW-VGOFMYFVSA-N	323.374	1.826	50	20	DDGD	
COC[C@@H]1CN(C(=O)[C@@H](Br)C(C)(C)C)CCO1	378591997	QVGQFCOLNPVNLY-VHSXEESVSA-N	308.216	1.670	50	20	DDGD	
CCOC(=O)[C@H]1CCCCN1C(=O)CN1CC=C(C#N)CC1	272584839	FKIFZAWSHANFOA-CQSZACIVSA-N	305.378	1.086	50	20	DDGD	
CC(C)(C(=O)NNc1cccc(F)n1)S(=O)(=O)C1CC1	286583522	NISDFCDJKFXZAA-UHFFFAOYSA-N	301.343	1.020	50	20	DDGD	
COC(=O)N(C)NC(=O)CCc1c(C)nn(CC(C)C)c1C	286409844	PPZDXDDDXLLOEU-UHFFFAOYSA-N	310.398	1.818	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CNC(=O)c1cccs1)C1CC1	287572946	YOZBCPCPBVSCKD-UHFFFAOYSA-N	309.391	1.062	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCC[C@@](C)(OC)C1	280022880	UCLPEQWMPQKHBH-MRXNPFEDSA-N	321.377	1.551	50	20	DDGD	
CCC(CC)(CNC(=O)NNc1ncccc1F)C(=O)OC	286837349	WRNOKYWFPKPHBI-UHFFFAOYSA-N	312.345	1.826	50	20	DDGD	
Cc1ccc2c(c1)CC[C@@H](C(=O)NNC(=O)c1cc(C)n[nH]1)O2	281400966	ZMDSPUYDKKFQAO-AWEZNQCLSA-N	314.345	1.181	50	20	DDGD	
Cc1nn(C)c(C)c1-c1cc(C(=O)NNC(=O)CC(C)C)[nH]n1	298569361	BZFXKIUUVADAKM-UHFFFAOYSA-N	318.381	1.234	50	20	DDGD	
CN(C)CCn1ccc(NC(=O)NNc2cccc(F)n2)n1	806306442	CYMSMCRNFMCMNN-UHFFFAOYSA-N	307.333	1.127	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CC1(F)F	294302382	IQFKMDTXKXFCQF-SFYZADRCSA-N	302.252	1.396	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)O1	294250545	NYBKCNACPDOWKN-WTDIUWLJSA-N	306.337	1.644	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CC2CC2)c(=O)oc2ccccc12	294243137	SFQGQVLWLYTSAS-UHFFFAOYSA-N	300.314	1.663	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)c(F)c1	295592508	PGZCISIMPXVQGE-CYBMUJFWSA-N	309.341	1.222	50	20	DDGD	
CCC(CC)n1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)n1	295691861	ZDQJWVZMUNHFGQ-CYBMUJFWSA-N	308.382	1.574	50	20	DDGD	
CCOc1nc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)co1	803430848	OGJIIMJPPGMPEZ-UHFFFAOYSA-N	314.301	1.672	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cccc(Cl)c1)C1CCCC1	800726945	BIGOKSHHTQAPLN-UHFFFAOYSA-N	309.797	1.975	50	20	DDGD	
O=C(NNc1ncccc1F)[C@H]1CCCN1C(=O)C(F)(F)F	804215745	DLNDSVRBCBRYDW-MRVPVSSYSA-N	320.246	1.217	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CC(C)(C)C2CC2)c1O	294991825	ZDFOTXWIJQBJSU-UHFFFAOYSA-N	306.362	1.988	50	20	DDGD	
COc1cc(C)ccc1C(=O)NNc1ccc(-n2ccnc2)nn1	804958489	YZECLYVARONXSC-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
CCc1cnc(NC(=O)C(=O)NNc2cccc(F)n2)s1	807391664	DFUKFWAHEGBBND-UHFFFAOYSA-N	309.326	1.321	50	20	DDGD	
CC(C)CONC(=O)NNC(=O)Nc1cc(F)cc(F)c1	296498665	NLIXSPJVLGBMAE-UHFFFAOYSA-N	302.281	1.888	50	20	DDGD	
CC(C)O[C@@H](C(=O)NNC(=O)c1ccc[nH]1)c1ccccc1	292033396	QGUFAKIMAXMLIH-CQSZACIVSA-N	301.346	1.942	50	20	DDGD	
C#Cc1cncc(C(=O)NNC(=O)c2cc3ccccc3o2)c1	807012950	ZFQUVCPOFDRBAH-UHFFFAOYSA-N	305.293	1.884	50	20	DDGD	
CCC[C@H](CNC(=O)NNC(=O)COc1cccc(C)c1)OC	296190046	MOMIWQJMFFBZOS-CQSZACIVSA-N	323.393	1.519	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)N[C@@H]1CCC(F)(F)C1	805214061	NLLXHDOJJQNJGY-SECBINFHSA-N	323.307	1.476	50	20	DDGD	
Cc1cc(Cl)c(NC(=O)C(=O)NNC(=O)CC2CC2)cc1C	297264221	FSQAUSPYPJZFOX-UHFFFAOYSA-N	323.780	1.843	50	20	DDGD	
CCc1nnc(CNC(=O)NNc2nc(C)cc(OC)n2)s1	291093079	YZDZRLSBKVFARX-UHFFFAOYSA-N	323.382	1.034	50	20	DDGD	
O=C(CCn1cc(Cl)cn1)NNC(=O)NCc1ccco1	299228340	FOORHWCGFPQYOR-UHFFFAOYSA-N	311.729	1.050	50	20	DDGD	
CC(C)COc1cccc(OCC(=O)NNc2cnnn2C)c1	816769787	WIIQJSIGQAHYTH-UHFFFAOYSA-N	319.365	1.372	50	20	DDGD	
COC(=O)c1cc(C(=O)NNC(=O)NC2CCCCC2)c[nH]1	814208838	ADAWZXIFQFYEJP-UHFFFAOYSA-N	308.338	1.078	50	20	DDGD	
O=C1COc2ccc(NC(=O)NNc3ncncc3F)cc2N1	814516548	QSQLWUPHWYBOLH-UHFFFAOYSA-N	318.268	1.095	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)CC2(C)CC2)cc1	812730853	ZCGNJBKARFYLMT-UHFFFAOYSA-N	311.407	1.570	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)C(=O)NC(C)C)c(Cl)c1	819803340	NIPVPWBNRORESA-UHFFFAOYSA-N	311.769	1.713	50	20	DDGD	
CC(C)C(=NNC(=O)Nc1ccc(S(N)(=O)=O)cc1)C1CC1	814966332	XPYCHSHHHOZCFH-UHFFFAOYSA-N	324.406	1.878	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ncn(C(C)(C)C)n1	812559962	MGMTZGAMDYWDCZ-UHFFFAOYSA-N	303.370	1.703	50	20	DDGD	
CO[C@@H]1CCC[C@H](C(=O)NNC(=O)c2ccc(C#N)cc2)C1	814407804	NPKFWNMOSFSUIF-UONOGXRCSA-N	301.346	1.524	50	20	DDGD	
Cc1ncccc1C=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1	728779984	SDJYJMMJUXWWRR-RDBSUJKOSA-N	318.421	1.585	50	20	DDGD	
N#C/C(=C/c1ccc(-c2nn[nH]n2)o1)C(=O)NCc1ccco1	822795811	HFISIPSNRMORSG-TWGQIWQCSA-N	310.273	1.276	50	20	DDGD	
CN1CCC[C@@H](CCNC(=O)/C(C#N)=C/c2cnn(C)c2)C1	491133041	OKXYUYJZSGAPKN-LIOBOASVSA-N	301.394	1.175	50	20	DDGD	
C[C@H]1SCC[C@H]1NC(=O)NNC(=O)c1ccc(C#N)cc1	825814554	FVDIDEGEQPJIAC-BXKDBHETSA-N	304.375	1.396	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cnc(Cc2ccc(F)cc2)s1	823959831	QHCGIJWLEWGYCM-JTQLQIEISA-N	323.393	1.830	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NNC(=O)Cc1ccncc1	491162703	TXEBDVUJWINPQI-ZROIWOOFSA-N	322.324	1.084	50	20	DDGD	
O=C(CCCC[C@H]1CCSS1)N1C[C@@H](CO)[C@@H](CO)C1	829152780	KARYFXRPRVZXKV-XQQFMLRXSA-N	319.492	1.760	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCCc2sccc2C1	827298614	JOVGWJZYQRLVSX-PWSUYJOCSA-N	323.418	1.662	50	20	DDGD	
COCc1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1	826164228	JEKIECPQSXNXBQ-UHFFFAOYSA-N	324.344	1.770	50	20	DDGD	
Cc1cc(C)cc([C@H](O)CNC(=O)/C(C#N)=C\c2cnn(C)c2)c1	491082360	IQJPEXGJNDXOKN-BOVGMKJQSA-N	324.384	1.794	50	20	DDGD	
Cc1cccc(CC(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1	826297446	HZCBPZLFZPSYRG-UHFFFAOYSA-N	308.345	1.861	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)/C=C/c1cnccc1C	492544120	YWQBVVDTDUHRNM-BQYQJAHWSA-N	311.341	1.873	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccnc1	497228010	MWZJMPXHMVSXBV-ZDUSSCGKSA-N	316.361	1.448	50	20	DDGD	
CN(CC[C@@H]1CCCCN1C)C(=O)/C(C#N)=C\c1cnn(C)c1	491108873	YQEWMPXFSSFDIO-IZNAZMGOSA-N	315.421	1.660	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(OCCC(C)C)nn1	825520200	VYZCKDHZIDOTAJ-UHFFFAOYSA-N	324.385	1.599	50	20	DDGD	
Cc1ccc(O)c(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)c1	826291404	DPPLFNGYYSTXBF-UHFFFAOYSA-N	322.328	1.645	50	20	DDGD	
O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1cc(B(O)O)ccc1F	584950402	KDTASZIOKLEFNR-DOMZBBRYSA-N	305.158	1.204	50	20	DDGD	
Cc1cnn(C)c1/C=C(/C#N)C(=O)Nc1ccccc1C(=O)O	491107649	WGHSHQXTBUPPSI-XFFZJAGNSA-N	310.313	1.972	50	20	DDGD	
CC(C)N1CC[C@H](NC(=O)[C@@]2(C)C[C@@H]2Br)C1=O	906703448	RGWZFPXFAMWAIF-AUTRQRHGSA-N	303.200	1.285	50	20	DDGD	
CCOC(=O)C(CC)(CC)NC(=O)/C(C#N)=C/c1cnn(C)c1	491107342	UYRTWNJFWOYHIK-MDWZMJQESA-N	318.377	1.565	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2cn(CC)nn2)o1	901179284	FVCSHPAPEVDFNR-UHFFFAOYSA-N	318.381	1.497	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2cnn(C)c2)c2c(O)ccc(F)c21	735412000	GNDSIJWWZPLYOY-QMMMGPOBSA-N	302.309	1.906	50	20	DDGD	
Cc1ccc(N2CCC[C@H](NCc3ccc(B(O)O)cc3)C2)cc1	585027337	QMWJKMXGWLUVOL-SFHVURJKSA-N	324.233	1.433	50	20	DDGD	
COc1ccc(C=NNC(=O)CC(C)(C)C)cc1-c1nn[nH]n1	737080591	CXMUCYQADYUWSE-UHFFFAOYSA-N	316.365	1.762	50	20	DDGD	
O=C(COc1ccccc1C(F)(F)F)N1CC[C@H](B(O)O)C1	585078389	YKWXUNJOMZJMPM-VIFPVBQESA-N	317.072	1.160	50	20	DDGD	
C=CC[C@H](NC(=O)NNc1nccc(OC)n1)c1ccncc1	734682600	FHUZISPVPSGUJB-LBPRGKRZSA-N	314.349	1.824	50	20	DDGD	
COC[C@](C)(CC(=O)O)NCCCI	833721946	HYDROVRRUWBNPU-VIFPVBQESA-N	315.151	1.281	50	20	DDGD	
CCc1nc([C@@H](C)NC(=O)c2cc(B(O)O)ccc2F)cs1	584945936	NOBCNIZGFUYNOQ-MRVPVSSYSA-N	322.170	1.015	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H]2CCO[C@@H](C)C2)ccc1F	837035706	GKPPGZBKNKRVMN-UWVGGRQHSA-N	310.325	1.871	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NC[C@H]1CC1(C)C	732893457	PQTMRWWPNYWFHS-GHMZBOCLSA-N	323.368	1.970	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(C)c(C)c1	730576330	PLGQNUAWDRKNPV-AWEZNQCLSA-N	308.403	1.578	50	20	DDGD	
O=C(NCC[C@H]1C[C@H]2CC[C@H]1O2)NNc1ncc(F)cc1F	838756611	RPPSXXQSEWKUNL-MKPLZMMCSA-N	312.320	1.944	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCCc3c(F)cc(Cl)cc32)o1	585044310	FDDHUZWREJIAOZ-CQSZACIVSA-N	323.560	1.919	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1NC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	838760600	AUUBGWLXPUEZFA-LEWSCRJBSA-N	323.368	1.968	50	20	DDGD	
Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc(B(O)O)c1)CCC2	584990310	TYIRJIHSVMTAFK-KRWDZBQOSA-N	309.174	1.482	50	20	DDGD	
C[C@H](CNCc1ccc(B(O)O)cc1F)c1ccc(F)cc1F	585026148	CLMYMTWSBCJESV-SNVBAGLBSA-N	323.123	1.677	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)CN1CCCS1(=O)=O	836935415	XAYUCSFYUGFGCU-UHFFFAOYSA-N	317.798	1.127	50	20	DDGD	
C[C@H]1CCC[C@]1(C)C(=O)NNc1ccc(-n2ccnc2)nn1	832489106	WFZVEAOTWINUNR-NHYWBVRUSA-N	300.366	1.932	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H](C(=O)NNC(=O)[C@@H]2CCCCO2)C1(C)C	833241670	DKWDVUGWUYPOGD-WZRBSPASSA-N	310.394	1.344	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1c(C)cnn1C)c1ccccc1	839674474	CPVCGCQBQKUHRY-ZDUSSCGKSA-N	300.362	1.683	50	20	DDGD	
CC1=C(C)C(=O)N(CCC(=O)NNc2cccc(Cl)c2)C1=O	900090571	FQECYFBRQZBUKT-UHFFFAOYSA-N	321.764	1.878	50	20	DDGD	
O=C(O)CCCNC(=O)NNC(=O)c1cccc2ncccc12	738576597	JYNKRDPNWRDJKY-UHFFFAOYSA-N	316.317	1.044	50	20	DDGD	
O=C(N1CC[C@H](B(O)O)C1)C1(c2ccccc2Cl)CCC1	585063487	AOPNESIZNSBKJC-NSHDSACASA-N	307.586	1.837	50	20	DDGD	
CC[C@H](CNC(=O)c1cc(B(O)O)ccc1F)CC(F)(F)F	585002428	UYWALARVASCZKM-QMMMGPOBSA-N	321.079	1.214	50	20	DDGD	
OB(O)c1ccccc1CNCCCOc1ccc(F)cc1	585019555	OCWYSCWXWJJPFQ-UHFFFAOYSA-N	303.142	1.064	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=C2CCn3ccnc32)o1	834950183	PVNVUEGVXMZPNK-UHFFFAOYSA-N	315.377	1.856	50	20	DDGD	
O=C(O)COc1ccc(C(=O)NNc2ncccc2Cl)cc1	739824846	YWDCPUNECXBWGT-UHFFFAOYSA-N	321.720	1.955	50	20	DDGD	
Cc1cc(C#N)cc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	831855577	WZMZHMKCKZLIAJ-GXFFZTMASA-N	302.334	1.444	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNc1ccc(C(=O)OC)c(F)c1	838487356	XGDUMIPMOFXNBD-VIFPVBQESA-N	313.329	1.663	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)[C@@H]1CCNC1=O	830814024	VAFQDHWUKSWXHH-SECBINFHSA-N	312.167	1.337	50	20	DDGD	
O=C(NNc1cccc(F)c1F)N[C@@H]1C[C@H]2CCCCN2C1=O	838740343	CCZOFEWYUCFJAW-BXKDBHETSA-N	324.331	1.744	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)C(=O)NC(CC)CC)C12CCC2	741165298	JRNKDADKFVVALN-CYBMUJFWSA-N	309.410	1.743	50	20	DDGD	
CC[C@@H](C)C(=O)NN=Cc1c(C)n(C)n(-c2ccccc2)c1=O	915974841	QAEJSBRAPHARLI-GFCCVEGCSA-N	314.389	1.981	50	20	DDGD	
Cc1cc(=O)c(C(=O)NN)nn1-c1ccccc1C(F)(F)F	747357854	XHDFJCUGIBBXCC-UHFFFAOYSA-N	312.251	1.163	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cc2c(s1)CCCC2	919896728	CDFOHNCHOZOSJC-UHFFFAOYSA-N	316.386	1.910	50	20	DDGD	
COc1ccc2c(c1)OCC2=NNC(=O)Cc1nc(C)cs1	749157771	DRZGRVMKEHJRCW-UHFFFAOYSA-N	317.370	1.916	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1ccc(O[C@@H]2CCOC2)cc1	849248574	VETJMESOYSDSAS-WJQTUHTMSA-N	322.386	1.610	50	20	DDGD	
CC(C)C(=O)N(C)Cc1ccc(C(=O)NN(C)C[C@@H](C)O)cc1	910164193	VQBHDBPTJQNHCC-CYBMUJFWSA-N	321.421	1.258	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCCCCC(=O)O)cc1	840992442	WCNBZYFUQYIKLH-UHFFFAOYSA-N	321.377	1.838	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@@H]1CC[C@@H]2CNC[C@H]2C1	842013231	GOQWKCSZYCQXOW-IJLUTSLNSA-N	320.368	1.158	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=C1CCC[C@@H](C2CC2)C1	743445796	HXNZXPDHXRQOPL-SNVBAGLBSA-N	304.350	1.503	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCCn1cncn1	746129153	CZQVZZNYNLQWJK-UHFFFAOYSA-N	310.789	1.150	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)C(=O)c1ccc(Cl)cc1	843649430	VFPLLYJTVGLTSR-LDYMZIIASA-N	310.737	1.095	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)OCCCN(C)C)cc(C#N)n1C	912592546	ORGMDWALTMUNRA-RIYZIHGNSA-N	300.362	1.607	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)c2cc(C)[nH]n2)c1	745186540	RXLTVNVGLVYWBD-UHFFFAOYSA-N	307.354	1.797	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2ccc[n+]([O-])c2)c1	913425490	SRIWWXIWGXMUSR-UHFFFAOYSA-N	316.386	1.568	50	20	DDGD	
COC(=O)C12CC(C(=O)NNc3cnc4ccccc4n3)(C1)C2	843853213	AUQFHENBHSPEPM-UHFFFAOYSA-N	312.329	1.416	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H](C)[C@H](O)CC)c1	913823747	PYHHAMVJMHZQIS-ZWNOBZJWSA-N	305.403	1.393	50	20	DDGD	
O=C(NNc1ccccn1)C1(S(=O)(=O)c2ccccc2)CC1	916664711	XGZDKZICWKJUTR-UHFFFAOYSA-N	317.370	1.531	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CCCN)cc1C(F)(F)F	841024510	PJEUHISUFDZUJE-UHFFFAOYSA-N	318.299	1.905	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)Cc1ccccc1OC1CCCC1	910149698	KXFQRPMBWVYTAJ-ZDUSSCGKSA-N	306.406	1.894	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC12CCCC2)c1ccc2c(c1)OCCO2	747294964	QYXLTGDBAINJIH-LBPRGKRZSA-N	316.357	1.799	50	20	DDGD	
CNc1nc(C)ccc1C(=O)NNC(=O)OCC(F)(F)F	912597621	XMZUKWSGHOTFBT-UHFFFAOYSA-N	306.244	1.365	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cn2ccccc2n1	918711317	URSCPUDGKISDKN-UHFFFAOYSA-N	300.347	1.445	50	20	DDGD	
Cc1ncc(C=NNC(=O)[C@H](C)CN2C[C@H](C)O[C@@H](C)C2)s1	917544138	XMCQCDUEDSHTSU-WOPDTQHZSA-N	324.450	1.647	50	20	DDGD	
Cn1c(NNC(=O)COC[C@@H]2CCCO2)nc2ccccc21	848379805	RRWJIWNEJWYOIO-NSHDSACASA-N	304.350	1.212	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@H]1CCCCO1)C1CCC(O)CC1	841438704	LLVRPPPJEAQSJF-WXRRBKDZSA-N	312.410	1.280	50	20	DDGD	
C[C@H]1CN(CCNC(=O)NNc2ccc(Cl)nc2)CCO1	745791301	IYJSGIAYMOMZBK-JTQLQIEISA-N	313.789	1.082	50	20	DDGD	
Cc1n[nH]c(C)c1S(=O)(=O)NN(C)C(=O)OC(C)(C)C	841552230	MEJXAEFOALYPDK-UHFFFAOYSA-N	304.372	1.087	50	20	DDGD	
CCc1nc2cc(NC(=O)NNC(=O)CCCN)ccc2o1	841122090	VMBPCYXZIJTLCA-UHFFFAOYSA-N	305.338	1.282	50	20	DDGD	
Cc1cc(C)c(CC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(C)c1	843656237	AHLBIHUYJRFMDS-UONOGXRCSA-N	304.390	1.727	50	20	DDGD	
COc1ccccc1[C@@H](N)C(=O)NNc1nc(C)cc(C)n1	843356926	IZFUTCMRIPSBTD-CYBMUJFWSA-N	301.350	1.245	50	20	DDGD	
CC(C)N1CCC[C@@H]1C(=O)NNC(=O)COc1ccccc1F	929249489	OZRFEDKVOWCIRN-CYBMUJFWSA-N	323.368	1.225	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1C[C@H](C)[C@H](C)[C@@H]1C	842165864	GVQDWGGKRZOWHB-KKUMJFAQSA-N	317.433	1.661	50	20	DDGD	
CO[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)CCc1ccccc1	845471154	OFYWSFRJZKNLCG-HUUCEWRRSA-N	319.405	1.907	50	20	DDGD	
C[C@@H](CCc1ccccc1F)C(=O)NNC(=O)c1cc[nH]n1	855357585	MHDVLNISIUYLPS-JTQLQIEISA-N	304.325	1.579	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)COc2ccccc2F)c[nH]1	753161567	ROZKOPXDKPPYHC-UHFFFAOYSA-N	319.292	1.470	50	20	DDGD	
O=C(NCC1SCCS1)NNc1ccc(Cl)nn1	852663958	RVZBBOWOWDMZNI-UHFFFAOYSA-N	305.816	1.562	50	20	DDGD	
CC(C)CC[C@H]1CCC[C@H]1NC(=O)NNC(=O)c1cn[nH]c1	858183341	CJKXHSALVGJNRY-DGCLKSJQSA-N	307.398	1.959	50	20	DDGD	
C[C@@H]1CCCN(C(=O)/C(C#N)=C\c2cnn(C)c2)[C@@H]1CCO	855540637	HRSZCMZFPQCXPB-AOVYYNQDSA-N	302.378	1.337	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@@H]1Cc2cccc(O)c2C1	759456113	SPQCFAPWVQHOMM-CYBMUJFWSA-N	311.341	1.504	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@@H](CN)C2)C[C@H]1Br	857105457	LMAFCTZOZVIKTL-HOSYDEDBSA-N	304.232	1.540	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)c1	858301491	ZCDANUNPUPONQJ-TUAOUCFPSA-N	323.418	1.958	50	20	DDGD	
NC(=O)C(=O)NN=Cc1ccc(Br)c(Cl)c1	754895041	HESZNBSREKJPNQ-UHFFFAOYSA-N	304.531	1.038	50	20	DDGD	
CO[C@H]1CN(C(=O)[C@H](Br)C(C)(C)C)C[C@H]1OC	754716726	DCLANJWNOJWGGM-AEJSXWLSSA-N	308.216	1.668	50	20	DDGD	
C/C=C/COc1ccc(CCC(C)=NNC(=O)C(N)=O)cc1	920359135	TVROJLIGWHHDJK-XAHHXJBPSA-N	303.362	1.552	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21	859829111	LEIZEZYHMHAQEV-USXIJHARSA-N	307.353	1.357	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1ccnc(Cl)c1	855464877	AICFXPYQAGLLRG-UHFFFAOYSA-N	300.746	1.704	50	20	DDGD	
CCOC(=O)c1nc(=NC[C@]2(C)C[C@H]2Br)cc[nH]1	856786345	GIGZDCOTPZQCBZ-PELKAZGASA-N	314.183	1.661	50	20	DDGD	
Cc1cc(C)c2c(c1)C(=NNC(=O)C(=O)NC(C)C)CCO2	920373134	SMDPYXSEACATBA-UHFFFAOYSA-N	303.362	1.431	50	20	DDGD	
CC(=O)NNC(=O)c1ccc(OCC(=O)OC(C)(C)C)cc1	854155909	YSCFHRBSHLBOIR-UHFFFAOYSA-N	308.334	1.188	50	20	DDGD	
CCCOc1cc(OC)ccc1C(=O)NNc1cnnn1C	857273758	VEDLKMZXYMWACM-UHFFFAOYSA-N	305.338	1.369	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCc1cc2ccccc2nc1O	854923133	JFIVFNSKSCCVKJ-UHFFFAOYSA-N	318.402	1.340	50	20	DDGD	
Cc1c(CCC(=O)NC[C@]2(C)C[C@H]2Br)cnn1C	857394873	PEJMCEFJQVTUPJ-YPMHNXCESA-N	314.227	1.951	50	20	DDGD	
CC(=O)NC1CCC(N(C)CCI)CC1	759430899	HDNLYPMRKGVISJ-UHFFFAOYSA-N	324.206	1.801	50	20	DDGD	
O=C(NNC(=O)c1ccc2oc(O)nc2n1)NC1CCCCC1	854192058	FFSBWLHSEGUMPU-UHFFFAOYSA-N	319.321	1.205	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1	756274010	OISSVJHSMKURMN-RYUDHWBXSA-N	320.393	1.863	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCC[C@@H]2CCCCO2)c1	858353018	HJPYILBIUIHPLO-NSHDSACASA-N	311.407	1.960	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)Cn2ccc3ccccc32)O1	756931859	RMJHZIGTPBPFSG-ZFWWWQNUSA-N	315.373	1.746	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CCCF)cc1	854220443	SLHVVXOYQGYNPT-LLVKDONJSA-N	312.341	1.750	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@@]1(C)CCCO1	755156609	HTVYZNUDQQRORQ-OAHLLOKOSA-N	307.350	1.208	50	20	DDGD	
C#CC1CCC(=NNC(=O)CNC(=O)c2cccs2)CC1	853299913	ZSEBEPXVICUHRL-UHFFFAOYSA-N	303.387	1.774	50	20	DDGD	
COC(=O)[C@@H]1COCCN1C[C@H](CBr)C1CC1	859197551	JRKHSUZWZBBATR-QWRGUYRKSA-N	306.200	1.281	50	20	DDGD	
C[C@H]1CN(C2CC2)CC1=NNC(=O)[C@@H]1COc2ccccc2O1	755881207	VVFQFRHZMZGFOL-ZBEGNZNMSA-N	315.373	1.413	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)NCCOCCF	852715803	YSZJEYWKZURGPY-UHFFFAOYSA-N	317.748	1.199	50	20	DDGD	
Cc1ccc([C@H](C)[C@H](O)C(=O)NNC(=O)CC(F)(F)F)cc1	855000729	NTEMVELRCGQORU-CABZTGNLSA-N	318.295	1.559	50	20	DDGD	
CCC(=O)C1(C(=O)NNc2cccc(C(=O)OC)c2C)CC1	855624209	FNBJVDHZWQXNSA-UHFFFAOYSA-N	304.346	1.984	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(CC)CC(=O)NC)cc1	756992130	FNKQFTJNZZVDDU-UVTDQMKNSA-N	315.373	1.587	50	20	DDGD	
Cc1ccccc1COCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	857294114	ADGQGEXHRFCIJK-GXTWGEPZSA-N	306.362	1.084	50	20	DDGD	
CC(C)C=NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1	864358053	GEIXLNVOTIRJQL-UHFFFAOYSA-N	323.418	1.843	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2c[nH]nc2C)c1	768224526	QSMWRXYBUQMNND-UHFFFAOYSA-N	303.322	1.331	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2sccc2C2CC2)n[nH]1	869012603	XYTUXXQAMSPWIN-UHFFFAOYSA-N	304.375	1.661	50	20	DDGD	
COc1ccc(C)nc1NC(=O)NNC(=O)c1ccncc1	765297344	WXMHKHFUJVBIAV-UHFFFAOYSA-N	301.306	1.260	50	20	DDGD	
CC(CSC(C)(C)C)=NNC(=O)CNC(=O)c1cccnc1	763198764	LHPOYIWEJYLURF-UHFFFAOYSA-N	322.434	1.835	50	20	DDGD	
COC[C@](C)(NC(=O)NNC(=O)OC(C)(C)C)C(F)(F)F	932333689	KRRIEBYLEGWTPK-JTQLQIEISA-N	315.292	1.693	50	20	DDGD	
COc1ccc(CN(C)[C@H](C)C(=O)NNC(=O)CC(C)C)cn1	764371462	FIBMGCRDJAYNSB-GFCCVEGCSA-N	322.409	1.104	50	20	DDGD	
CC[C@H](CC(=O)NNC(=O)COCCOC)c1ccccc1	869908977	DLIWIKPHUZTMEM-CYBMUJFWSA-N	308.378	1.381	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCOC[C@@H]1c1c(C)n[nH]c1C	766061331	UNXQIBFUOMSCSW-LLBKUYECSA-N	304.350	1.370	50	20	DDGD	
COc1cc(C)cc2c1OCCC2=NNC(=O)c1cc(C)[nH]n1	764792752	DHDCROHZKPENHS-UHFFFAOYSA-N	314.345	1.952	50	20	DDGD	
Cc1ncc([C@@H](C)NC(=O)NNC(=O)Cc2ccncc2)s1	868933606	CSUAOTLLPMWSCN-SECBINFHSA-N	319.390	1.481	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	862094464	ASPLKURIKKEGLU-AOOQXXKVSA-N	300.358	1.145	50	20	DDGD	
Cn1c(C(=O)NNc2ccc(Br)nc2)cccc1=O	764238698	WEOBKGJTRWRMJQ-UHFFFAOYSA-N	323.150	1.300	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2cnc(N(C)C)s2)CC1	1116378207	BYDGDBFEFXQJBC-UHFFFAOYSA-N	323.466	1.781	50	20	DDGD	
CC1(C)Cc2cc(C=NNC(=O)[C@@H]3CCC(=O)N3)ccc2O1	863144719	DVMZRSZLDHRUJF-LBPRGKRZSA-N	301.346	1.129	50	20	DDGD	
CN1CCCC[C@@H](CNC(=O)/C(C#N)=C/c2cnn(C)c2)C1	862795311	JMVBILYBIJFXON-FEZXJWFHSA-N	301.394	1.175	50	20	DDGD	
O=C(NNC(=O)c1ncc2n1CCCC2)c1ccc(Cl)nc1	864902076	DIBBZSAOPZEWPM-UHFFFAOYSA-N	319.752	1.343	50	20	DDGD	
N#C[C@@H](CCc1ccccc1)C(=O)NNC(=O)[C@@H]1CCCCO1	1117821491	VZFWILSSRAHFFB-CABCVRRESA-N	315.373	1.475	50	20	DDGD	
CN(C)c1ccc2c(c1)NC(=O)C2=NNC(=O)c1ccccc1O	761742827	FZRQABFWDWBZLG-UHFFFAOYSA-N	324.340	1.544	50	20	DDGD	
CCN(CC)c1ncc(C=NNC(=O)c2cc(C)[nH]n2)s1	764795037	MCGPXEPEHLHIBN-UHFFFAOYSA-N	306.395	1.785	50	20	DDGD	
CCOc1c(Cl)cc(NC(=O)NNC(=O)CO)cc1Cl	768075861	CDVPCGUJHRIHPU-UHFFFAOYSA-N	322.148	1.537	50	20	DDGD	
CC(C)CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccn1	760238842	GGSKDAKSAOBROP-GFCCVEGCSA-N	323.418	1.383	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1nc(C2CC2)n(-c2ccccc2)n1	1115950539	UFVWBWHYDGRUMW-UHFFFAOYSA-N	313.361	1.562	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@H]1C=NNC(=O)[C@H]1CCCCO1	872380063	BLMCXKYIELLUEQ-BFHYXJOUSA-N	320.393	1.652	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H]2CCCC23CCOCC3)cc[nH]1	875561021	KEFXEBSOWFEIOX-CQSZACIVSA-N	304.394	1.787	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C\c1ccsc1	771900930	KULSFFQWPDGLGJ-DOGVGXBMSA-N	324.402	1.887	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNC(=O)c1ccc(OC)cc1	1117482147	QMBDHAJELSITKC-JTQLQIEISA-N	308.334	1.046	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2cccc3nccn23)cc1	771090651	WQHOUVLUSJGMNY-UHFFFAOYSA-N	324.340	1.872	50	20	DDGD	
COCCOCC(=O)NN=Cc1c(C)nn(C(C)(C)C)c1C	872401523	YIOOJFWIYQGIFY-UHFFFAOYSA-N	310.398	1.368	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)N[C@H]1CC12CCC2	872861437	ONRHIXCKMZGIOW-ZDUSSCGKSA-N	303.362	1.729	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(F)c1	772234753	IHPLVBNCBDMRLF-SSDOTTSWSA-N	316.716	1.582	50	20	DDGD	
CCOC(=O)c1cc(NC(=O)NNc2cnccn2)cn1C	770060993	DABYJUATPMOPBP-UHFFFAOYSA-N	304.310	1.140	50	20	DDGD	
CC(=NNC(=O)c1ccccc1O)C1CCS(=O)(=O)CC1	1116688945	BHEXPLAICXVTDV-UHFFFAOYSA-N	310.375	1.323	50	20	DDGD	
COc1ccc(C(=O)NNc2cc(Cl)nc(N)n2)c(F)c1	779373700	XBWBAOWJQBSHPG-UHFFFAOYSA-N	311.704	1.617	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)C1CCOCC1)C(=O)c1ccccc1	883063080	CHILCBOYEKTFOM-LBPRGKRZSA-N	318.373	1.470	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)c2nccs2)cc1	772955788	XIQGHRVMLNKLRF-UHFFFAOYSA-N	321.431	1.841	50	20	DDGD	
CCC1(C(=O)NNC(=O)c2ccc3c(c2)OCO3)CCOCC1	778524824	QJSWILNXKJBUBL-UHFFFAOYSA-N	320.345	1.383	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)N1CC[C@H]1C	883608281	UYRDZUMAIZPKHB-ZJUUUORDSA-N	311.769	1.942	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(C)(C)c1cc(F)cc(C#N)c1	887149182	MJLYTTRCUQJEFJ-UHFFFAOYSA-N	315.348	1.926	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@H]1CCCC12OCCO2	889534892	OSQHOBBVEWDVLO-VIFPVBQESA-N	313.745	1.052	50	20	DDGD	
Cc1cc(CN2CCN(S(=O)(=O)CCCCl)CC2)no1	881762914	HOWUHTKSWXLMJV-UHFFFAOYSA-N	321.830	1.059	50	20	DDGD	
CS(=O)(=O)C[C@H]1CCN(C(=O)C2CCC(Cl)CC2)C1	1123787193	DLKGITUCECIDSI-UNXYVOJBSA-N	307.843	1.677	50	20	DDGD	
O=C(CCc1ccc(O)nc1)NNC(=O)NC1CCCCC1	786635874	FDUUEGDLKSSDMG-UHFFFAOYSA-N	306.366	1.383	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COCC2CCCC2)cc1O	882051713	WLBHDXRZOSFZLW-UHFFFAOYSA-N	306.362	1.668	50	20	DDGD	
COc1cccc(NNC(=O)NCCOc2cccnc2)n1	780013270	BYYRMZVSTJDBBG-UHFFFAOYSA-N	303.322	1.190	50	20	DDGD	
Cc1cnc2c(C(=O)NNc3nccnc3C3CCC3)cnn2c1	897762680	XHSKYYDPCYFZPS-UHFFFAOYSA-N	323.360	1.852	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C1=Cc2cccc(OC)c2OC1	780712544	YCKOTMVSTBBYER-UHFFFAOYSA-N	305.334	1.164	50	20	DDGD	
CC[C@@H]1CCC[C@H](C=NNC(=O)[C@H](C)NS(C)(=O)=O)C1	783845026	CLOFPLAONRVHTF-TUAOUCFPSA-N	303.428	1.243	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(-n2ccnc2S)cc1	780712487	WGRXXBBTWUXEIJ-UHFFFAOYSA-N	319.390	1.467	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cc(C(C)=O)c[nH]2)c1	780792504	XUAKZUYWQFKGKO-UHFFFAOYSA-N	301.302	1.761	50	20	DDGD	
CC(C)C(=O)NNC(=O)C1CCC(NC(=O)C(C)(C)C)CC1	788721289	QTMLJCQJOONZSI-UHFFFAOYSA-N	311.426	1.511	50	20	DDGD	
COC[C@H](C)n1ccc(NC(=O)NNc2ccc(OC)cn2)n1	782077955	WILJDZLEDUOHRU-JTQLQIEISA-N	320.353	1.643	50	20	DDGD	
CCn1cc(NC(=O)C(=O)NNc2cccnc2Cl)cn1	784843758	RORBBERLLHYFOP-UHFFFAOYSA-N	308.729	1.033	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C(F)(F)C2(O)CCCC2)n1	786275154	YPFNWXJCWOSOMB-UHFFFAOYSA-N	316.308	1.177	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)C[C@@H]1CCCOC1	792808524	IIGXBUHNNDZHDO-LBPRGKRZSA-N	315.373	1.675	50	20	DDGD	
Cc1cccnc1NNC(=O)CCOc1cccc(C(N)=O)c1	791218624	BZKMVGZWCHRJDV-UHFFFAOYSA-N	314.345	1.401	50	20	DDGD	
Cn1cc2c(n1)CCCC2=NNC(=O)COCc1ccccc1	794515572	SZIVCBPCPNACTE-UHFFFAOYSA-N	312.373	1.794	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H](C)[C@H]2CCCOC2)n1	793043783	URMUOFLGYYOTKM-RYUDHWBXSA-N	306.366	1.149	50	20	DDGD	
O=C(NNC(=S)NCCCCC(F)(F)F)c1cccnc1	794970571	YVNLKGNETZCGEI-UHFFFAOYSA-N	320.340	1.923	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCC2(CC#N)CC2)c1	797563569	OVSDNUYBMBZQTG-UHFFFAOYSA-N	316.361	1.398	50	20	DDGD	
CC(=NNC(=O)COc1cccc(C)c1)C(C)(C)n1cncn1	794466724	AZINZPHEPLAOBV-UHFFFAOYSA-N	315.377	1.893	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CC1CCCCC1	790063414	JIMQXHVQUKYTNY-UHFFFAOYSA-N	300.399	1.893	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2(c3cccc(C#N)c3)CC2)o1	1319326385	ZUGQGPQERTYASR-UHFFFAOYSA-N	309.325	1.953	50	20	DDGD	
Cc1nnc(-c2cccc(C(=O)NNC(=S)NC(C)C)c2)o1	1318973597	CJMYERZUHCZLQQ-UHFFFAOYSA-N	319.390	1.562	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cc(O)ccc2Cl)c1Cl	1324299852	FGOCVKJZFSPXRE-UHFFFAOYSA-N	314.132	1.828	50	20	DDGD	
C[C@H](C(=O)NNc1cc(C(F)(F)F)ccn1)[C@@H]1CCC(=O)N1	1329487212	WMFOQSFGOMWDSO-CBAPKCEASA-N	316.283	1.458	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccc2c(c1)OCO2)n1cccc1	1323155557	YRIDOBBIVQGKND-SNVBAGLBSA-N	301.302	1.239	50	20	DDGD	
Cc1cc(C(F)(F)F)nn1CC(=O)NNC(=S)NC(C)C	1324295632	VYSNTQFYRIAHSR-UHFFFAOYSA-N	323.344	1.114	50	20	DDGD	
C[N+](C)(C)CC(=O)NN=C(Cc1ccccc1[N+](=O)[O-])C1CC1	1321221265	TYJZEERZWUQYEI-UHFFFAOYSA-O	319.385	1.726	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H](O)c1ccc(Cl)cc1F	1326048624	OEOVDTRKJAQART-SNVBAGLBSA-N	319.789	1.416	50	20	DDGD	
CC(C[C@@H]1CCCC(=O)N1)=NNC(=O)CCN1CCC(C)CC1	1327460386	MGLUZCZLPVUNOJ-HNNXBMFYSA-N	322.453	1.659	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1CC	1326648475	SHWCCNCJQAZXDC-IAQYHMDHSA-N	304.390	1.997	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@H]2CCCc3cccnc32)c1Cl	1255934218	XWCOGNABLCDWNA-VIFPVBQESA-N	318.768	1.670	50	20	DDGD	
C[C@H]1CCCC[C@H]1OCC(=O)NNc1nncc(N)c1Cl	1333508198	METSAAYFJVDEKO-WCBMZHEXSA-N	313.789	1.751	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NCC2(CC(N)=O)CC2)nn1	1261386082	KYZCZDCVVOLKTL-UHFFFAOYSA-N	320.397	1.056	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)NC/C=C\C2CC2)c1	1348061675	IEOGMJCPXIHAJF-ARJAWSKDSA-N	317.389	1.979	50	20	DDGD	
O=C(C[C@H]1CC[C@H](C2CC2)O1)NNc1ccc(C(=O)O)cn1	1601252081	QLEGCSMENODGPE-VXGBXAGGSA-N	305.334	1.571	50	20	DDGD	
C[C@H](CBr)COC(=O)c1cccc(C(=O)O)n1	1609725556	HXUDSGODZKDACN-SSDOTTSWSA-N	302.124	1.968	50	20	DDGD	
CC[C@@H](C)C[C@H](C)NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1604001246	RWZBMVURGHTVOI-ZJUUUORDSA-N	318.385	1.713	50	20	DDGD	
Cc1sc(C(=O)O)cc1NC(=O)NNC(=O)c1ncccn1	1600874149	NYMMPQCSAMKENC-UHFFFAOYSA-N	321.318	1.011	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNC(=S)Nc2ccccn2)o1	1602323577	KWMGZCDTTXASBC-UHFFFAOYSA-N	306.303	1.004	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CCCN2C2CCCC2)nc1	1608903961	BMRKCJCAXAABNX-ZDUSSCGKSA-N	318.377	1.630	50	20	DDGD	
Cc1c(NNC(=O)NC[C@H]2CCCN2C)cccc1C(=O)O	1600053518	IPWOMMOXXPASKG-LLVKDONJSA-N	306.366	1.414	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(C(=O)O)c(Cl)c2)n(C)n1	1600095401	QUYRWYVVJAPFLY-UHFFFAOYSA-N	308.725	1.837	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@]2(C(=O)O)CC=CCC2)n1	1605408062	GAIZKKABYKKBTD-CYBMUJFWSA-N	310.741	1.693	50	20	DDGD	
Cc1nn(C)cc1CCC(=O)NNc1cccc(F)c1C(=O)O	1608003189	LVQPUQGGYXEVLX-UHFFFAOYSA-N	320.324	1.642	50	20	DDGD	
O=C(NCC1CCOCC1)NNc1ccc(C(=O)O)c(F)c1	1601486432	ORNWKRWXRWRODI-UHFFFAOYSA-N	311.313	1.577	50	20	DDGD	
CCn1ccc(CNC(=O)NNc2cccc(C(=O)O)c2C)n1	1605927747	NHXRPTGQTILZJD-UHFFFAOYSA-N	317.349	1.736	50	20	DDGD	
CC(=O)c1cc(C(=O)NNc2cccc(C(=O)O)c2)n(C)c1	1603099315	HPIPWADJSCYFFE-UHFFFAOYSA-N	301.302	1.683	50	20	DDGD	
O=C(O)CCCc1nnc(NC(=O)NNc2ccccn2)s1	1602003366	HVWHIMMXCQAFPI-UHFFFAOYSA-N	322.350	1.489	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)CCc1nc(C)no1	1610287971	RYRZDQKLQOAKKE-UHFFFAOYSA-N	320.305	1.161	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=C[C@@H]1CCCO[C@H]1c1nccn1C	1552763515	VSOUTBCMEOSUOL-IGQOVBAYSA-N	320.393	1.415	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)[C@@H]3CCCCN3)cc2C1	1573650144	WUKWTVWWJYQKDK-JQWIXIFHSA-N	321.446	1.776	50	20	DDGD	
C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](F)Cl)CC1	1831321574	ZFGRMVWQENDXST-GXTWGEPZSA-N	314.788	1.774	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(-c3cnn[nH]3)cc2)nc1	1577071627	CVZGPEKNRCOILE-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@H](N)CCCCC#N	1578506229	ICELOVTVXQEIQU-CQSZACIVSA-N	318.377	1.697	50	20	DDGD	
NC[C@H](NC(=O)NNc1cc(Cl)nc2ncccc12)C1CC1	1580222529	WNEIUDBIWRLSAT-NSHDSACASA-N	320.784	1.647	50	20	DDGD	
CC[C@H](C)[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](F)Cl	1847830802	BTPXUWYMWQMVQA-KKJSVHSVSA-N	320.792	1.130	50	20	DDGD	
CC(C)(C)NCC(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1842902907	WGZWJYAIVPSHQD-LLVKDONJSA-N	319.808	1.112	50	20	DDGD	
C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1841608746	MATMCBMQFKPEPY-GHMZBOCLSA-N	318.776	1.315	50	20	DDGD	
O=C(O)C1=NO[C@@H](C(=O)NNc2c(F)cccc2Cl)C1	1594891474	XRRBIXSDPWOPGK-MRVPVSSYSA-N	301.661	1.152	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1cccc(Cl)n1	1593163100	JPQWIXSGSSTEHR-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN[C@@H](C(=O)O)c1cccc(Cl)c1	1594643253	DXXVETHJVMLREW-KPXOXKRLSA-N	312.753	1.512	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[nH]n2)o1	1593166812	AMNPHODPGMVKBA-UHFFFAOYSA-N	315.249	1.125	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@](C)(CCF)C(=O)O	1590701760	QYCVASXTHVZXRL-JTQLQIEISA-N	303.783	1.374	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])Nc1cncc(C(=O)O)c1	1594782272	VOJHOFJILLIGLM-UHFFFAOYSA-N	317.261	1.837	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)c2ccnnc2)c(Cl)c1	1776081545	UBPDMHGQLPCNDO-UHFFFAOYSA-N	304.693	1.592	50	20	DDGD	
O=C(C#CC1CC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl	1796804373	KMYFQIDPIKWLKT-GFQSEFKGSA-N	312.772	1.572	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@@H]1CCn2ccnc2C1	161332806	FQBKCTYSXAUHIS-GFCCVEGCSA-N	324.344	1.639	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCCCO2)cc1C	161342855	SSPZTUGPCCTAOT-CQSZACIVSA-N	306.362	1.399	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)C(=O)NNc1ccc(C(F)(F)F)cc1	153599328	ZLXGRBSUMIDVSM-QMMMGPOBSA-N	324.324	1.829	50	20	DDGD	
COC(=O)N[C@@H](CC(C)C)C(=O)NNc1ccc(C#N)cc1	155604587	BVYOGDRGYKJGSF-ZDUSSCGKSA-N	304.350	1.772	50	20	DDGD	
CC(C)CN1CC[C@@H](CNC(=O)NNC(=O)c2ccccc2)C1	156706249	YITBJOJMOBKNAJ-AWEZNQCLSA-N	318.421	1.609	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)nc1	159623655	MYSWDZMKMAQJOX-UHFFFAOYSA-N	323.356	1.280	50	20	DDGD	
CC(C)(C)OC(=O)NCCOCC(=O)NCC(Cl)Cl	837648032	DXVOSBCFGLHGMW-UHFFFAOYSA-N	315.197	1.448	50	20	DDGD	
CN(CCCN1CCOC1=O)NC(=O)OCc1ccccc1	859388103	KRTTXEASCSYJPL-UHFFFAOYSA-N	307.350	1.602	50	20	DDGD	
CN(C[C@H]1CCCCO1)C(=O)NNC(=O)c1cccc(C#N)c1	103517211	TYQNPVOKPBIJMD-CQSZACIVSA-N	316.361	1.414	50	20	DDGD	
C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NNC(=O)OCC	55200974	DQSAKVUWZCVFHE-JTQLQIEISA-N	303.318	1.279	50	20	DDGD	
COCc1cc(C(=O)NNc2cc(F)c(F)c(F)c2)no1	175511319	KEWCCXCICLXLIW-UHFFFAOYSA-N	301.224	1.995	50	20	DDGD	
COc1cccc(OCC(=O)NNc2nccnc2Cl)c1	114894899	WAIPXRHAICLRQE-UHFFFAOYSA-N	308.725	1.661	50	20	DDGD	
C[C@@H](OC[C@H]1CCCCO1)C(=O)NNC(=O)OC(C)(C)C	66306927	ULVASBYMXFCJAR-GHMZBOCLSA-N	302.371	1.517	50	20	DDGD	
Cc1cc(NNC(=O)c2ccn(-c3ccccc3F)n2)ncn1	172275421	YDQLGSHGHQGZFF-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
O=C(C[C@@H]1C=CCC1)NNC(=O)c1cnn(-c2ccccc2)c1	112825426	ROUDMAQOZLQXCW-CYBMUJFWSA-N	310.357	1.990	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](C)c1csc(CC)n1	111894935	HUYRAOAHPJWZPB-QMMMGPOBSA-N	300.384	1.133	50	20	DDGD	
CC[C@@H]1CCCCN1CCNC(=O)NNc1ccc(C)nn1	113404067	CTHFLCQCMZYWCN-CYBMUJFWSA-N	306.414	1.676	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CC1CCOCC1	117122919	ANYIVOKKVFWXAF-LLVKDONJSA-N	324.352	1.557	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NC[C@H]1Cc2ccccc21	170887970	UXZFBRWSTZFBQG-CQSZACIVSA-N	310.357	1.294	50	20	DDGD	
CC(=O)NNC(=O)c1cccc(COc2cccc(C#N)c2)c1	115707741	DFWWADYWXWNOSO-UHFFFAOYSA-N	309.325	1.918	50	20	DDGD	
O=C(Cc1cnn(-c2ccccc2)c1)NNC(=O)NCC1CC1	65192605	TWAZZNGVNYIWNG-UHFFFAOYSA-N	313.361	1.155	50	20	DDGD	
Cc1cccc([C@H](CC(=O)NNc2cnccn2)NC(N)=O)c1	114882222	JBENJNWZMPNRHJ-LBPRGKRZSA-N	314.349	1.028	50	20	DDGD	
C[C@@H](NNC(=O)c1ccoc1C1(O)CCOCC1)C(F)(F)F	1348478302	GRFDGCJUWAGPAL-MRVPVSSYSA-N	322.283	1.463	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCCC[S@@](C)=O)cc1	110862377	PGTUYNPKUTVQQN-FAXUNHAKSA-N	320.414	1.877	50	20	DDGD	
CC(C)COCCCNC(=O)NNC(=O)c1ccc(C#N)cc1	61855645	BFZNIQHXGAAMFG-UHFFFAOYSA-N	318.377	1.565	50	20	DDGD	
CC(C)C(=O)NCCNC(=O)NNc1cc(F)c(F)c(F)c1	175186677	VTCSEYNWVVDFAZ-UHFFFAOYSA-N	318.299	1.502	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCO[C@H](c2ccco2)C1	120962789	LJBDWLMUNJSDOU-JSGCOSHPSA-N	323.393	1.235	50	20	DDGD	
CCNC(=O)NNC(=O)CCCOc1ccc(C#N)cc1OC	65189653	IHQAOPBZIVRRSL-UHFFFAOYSA-N	320.349	1.076	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NNc1cccc2c1CCCC2	120273524	SEJPJGWUOTXXCP-UHFFFAOYSA-N	310.419	1.833	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(C#N)cc2)cc1F	129157912	QCMZZBIVSYMUIX-UHFFFAOYSA-N	313.288	1.781	50	20	DDGD	
CC(C)[C@]1(C)C[C@H]1C(=O)NNC(=O)c1ccc2c(c1)OCCO2	185288998	LMUHPYNGNCRIBV-SJCJKPOMSA-N	318.373	1.901	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F	75564275	LMTSNMOYZOABEN-ZJUUUORDSA-N	311.357	1.750	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)C[C@@H]2CCCCO2)s1	76936585	SCYUCTTXACCSIG-JTQLQIEISA-N	318.420	1.190	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc3[nH]c(=O)oc23)o1	120135647	UAGFWCZUQQHIKQ-UHFFFAOYSA-N	301.258	1.097	50	20	DDGD	
C[C@@H](CN1CCOCC1)NC(=O)/C(C#N)=C\c1ccc(F)cc1	182202264	WEKYZFMCVIUCTL-OJNRTJSBSA-N	317.364	1.570	50	20	DDGD	
CC(C)Oc1ncccc1NC(=O)NNC(=O)c1cccn1C	184106556	QLSXEKBRKPEDGA-UHFFFAOYSA-N	317.349	1.674	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCCC[C@@H]1CCCCO1	186589801	COCLDWHCODAMPU-AWEZNQCLSA-N	320.393	1.304	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)C1=CCCC1	186063173	REFIJXWUKQLGHE-UHFFFAOYSA-N	310.375	1.652	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)C(=O)Nc2ccc(=O)n(C)c2)c1	131986527	YBXMDRKGVZZTHU-UHFFFAOYSA-N	314.345	1.084	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)c2ccc(CC)cc2)CCC1	133047502	ZRZFTHQMWSGEON-UHFFFAOYSA-N	318.373	1.743	50	20	DDGD	
CCN(CC)C(=O)CCCC(=O)NNc1nc2ccccn2n1	191898372	XNRJHXLUXSISBD-UHFFFAOYSA-N	318.381	1.211	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)Cc1ccc(F)cc1	198908250	BVDGXJLOSTYNCH-UHFFFAOYSA-N	316.332	1.854	50	20	DDGD	
O=C(CCc1ccccc1Cl)NNC(=O)N1CCOCC1	194905009	PDPJUKSCDHFUJZ-UHFFFAOYSA-N	311.769	1.346	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNC(=O)c1ccc(C)o1	132453449	JHMWYWZBOVMYSZ-UHFFFAOYSA-N	305.334	1.705	50	20	DDGD	
CC(C)c1nn(C)c2sc(C(=O)NNC(=O)C(C)(C)O)cc12	190063342	UDQNBUPNEHVCTO-UHFFFAOYSA-N	324.406	1.290	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1ccn(CC(F)F)n1	194490817	WJQDFHCCLDWJJC-UHFFFAOYSA-N	318.287	1.848	50	20	DDGD	
CSCCNC(=S)NNC(=O)CCc1c(C)noc1C	94121508	YJDWBJYKUNGNSR-UHFFFAOYSA-N	316.452	1.082	50	20	DDGD	
Cn1cc(N2CCN(/C(=C\C#N)c3ccccc3)CC2=O)cn1	255028639	PJKJJQLEXQHTBB-APSNUPSMSA-N	307.357	1.633	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCOc1ccccc1F	264043510	FNFIFYZXBFWINC-UHFFFAOYSA-N	311.357	1.971	50	20	DDGD	
C[C@H]1CCC[C@@H]1NC(=O)NNC(=O)COc1ccccc1O	264633771	UPQRVSXNYMVMSN-QWRGUYRKSA-N	307.350	1.290	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccc(OCCOC)cc1	264405236	UMVFAOIAKHIBMM-KAMYIIQDSA-N	305.330	1.808	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNC(=O)c1ccccc1C	264105795	CLVUPFOFABWCLI-UHFFFAOYSA-N	305.378	1.453	50	20	DDGD	
CC(C)(C)OC(=O)NCC(C)(C)C(=O)NNc1ncccn1	268340598	PCIVXUQCFQIVAJ-UHFFFAOYSA-N	309.370	1.471	50	20	DDGD	
C[C@H]1CC[C@@H](CCC(=O)NNC(=O)COc2ccccc2O)O1	266461149	QIADFWZGSBATPN-RYUDHWBXSA-N	322.361	1.266	50	20	DDGD	
COC(=O)CCCCCCCNC(=O)NNc1cccnn1	268475253	ZNPYGKCSUVYSIE-UHFFFAOYSA-N	309.370	1.616	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@H](C)Oc2ccccc2)n1	265059025	DROGYZYBHGLRAB-NSHDSACASA-N	317.349	1.579	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H]1COCCN1CC1CCC1	276705784	JFFIYRZETUSNDK-CQSZACIVSA-N	304.394	1.334	50	20	DDGD	
N#CC1=CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1	272697633	VOEFMVQSFZQTBH-UHFFFAOYSA-N	312.329	1.640	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@]1(C)CCCOC1	272608290	GUYDYRWVVCXADP-BZNIZROVSA-N	324.352	1.557	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H](C)c2nnc(C)s2)n1	273653222	JARKHAOYDFVYRB-ZETCQYMHSA-N	323.382	1.341	50	20	DDGD	
COCCOc1cc(C(=O)NN(C)c2ccccc2)ccn1	272028665	DJRINNJLSOBLJW-UHFFFAOYSA-N	301.346	1.888	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccc(-n2ccnn2)cc1	273428384	UYLDAJPXNDLWDD-UHFFFAOYSA-N	300.322	1.220	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)n1	274141312	CIQJRRGKNYMZPF-NWDGAFQWSA-N	321.381	1.377	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C(C)(C)C	277912686	QYCSXLFNAIBYLN-AAEUAGOBSA-N	322.409	1.249	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])C1SCCS1	279262953	IUOIQQBAAPWPIP-UHFFFAOYSA-N	303.340	1.983	50	20	DDGD	
COC(=O)c1sccc1S(=O)(=O)N1CC=C(C#N)CC1	272706959	BUMIQVKTIIXCKW-UHFFFAOYSA-N	312.372	1.379	50	20	DDGD	
COCCOc1ccc(C(=O)NNc2ccc(OC)cn2)cc1	275532552	KHBGXJZFFRKXSE-UHFFFAOYSA-N	317.345	1.872	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)NCCCC#N)c1C	273209503	JPBSUXVUEDMXIQ-CYBMUJFWSA-N	318.377	1.705	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc([S@@](C)=O)c(F)c1	273450621	FUTZMXZVKIBURD-OAQYLSRUSA-N	315.370	1.762	50	20	DDGD	
COCC1(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)CCC1	283295300	AEJSXZDHKFMHHC-NSHDSACASA-N	324.352	1.557	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2CCSCC2)cc1	282994225	WXGYNDCJQHFESL-UHFFFAOYSA-N	321.402	1.224	50	20	DDGD	
COCCN(C)NC(=O)CCCC(=O)c1ccc(OC)cc1	288467590	QQDOOKBVSRTKFF-UHFFFAOYSA-N	308.378	1.658	50	20	DDGD	
COC1(C(=O)NNc2ccc([N+](=O)[O-])cc2C)CCOCC1	288706365	NXDDEYCMYKXSIW-UHFFFAOYSA-N	309.322	1.542	50	20	DDGD	
CSSCCNC(=O)CCCN1C(=O)NC(C)(C)C1=O	284117609	OLVIUNNJUIZMLJ-UHFFFAOYSA-N	319.452	1.224	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)[C@H](c1ccccc1)C1CC1	295651064	UZEJOTDMYIUUKP-HUUCEWRRSA-N	302.374	1.897	50	20	DDGD	
O=C(NNC(=O)C1=CCCCO1)Nc1ccc2c(c1)OCO2	802104809	KYKCUPUEZHVSBA-UHFFFAOYSA-N	305.290	1.262	50	20	DDGD	
COc1cc(CC(=O)NNc2ncccc2F)cc(OC)c1O	804216796	ZGRCKDUHYPVPOQ-UHFFFAOYSA-N	321.308	1.629	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2snnc2C2CC2)n1	290247402	BAKPMPSHEFJPDB-UHFFFAOYSA-N	306.351	1.279	50	20	DDGD	
CCCCCS(=O)(=O)CC(=O)NNc1cccc(Cl)n1	293766015	UTDFQZGEUOAXDD-UHFFFAOYSA-N	319.814	1.783	50	20	DDGD	
CCc1cnc(CNC(=O)NNC(=O)[C@@H]2CCCCO2)s1	296344440	FVROMUZZISVCDV-JTQLQIEISA-N	312.395	1.105	50	20	DDGD	
C[C@H]1CC[C@@H](CNC(=O)NNc2ccc(-n3ccnc3)nn2)C1	805416940	CKJIECZMUMITSH-NWDGAFQWSA-N	315.381	1.725	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(O)cc1F	807372037	WPDVVLVFNSXBRJ-UHFFFAOYSA-N	314.313	1.082	50	20	DDGD	
O=C(NNc1cccnn1)[C@@H]1CCCN(c2ccccc2)C1=O	293570859	VPPBBZIAUQQAJV-ZDUSSCGKSA-N	311.345	1.363	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1cccnc1F	806348037	LBLZLIJWLSCUCI-UHFFFAOYSA-N	323.711	1.958	50	20	DDGD	
Cc1cnc(COCC(=O)NNc2cnc3ccccc3n2)o1	803108424	BUDXAYZAWACGBT-UHFFFAOYSA-N	313.317	1.586	50	20	DDGD	
Cc1[nH]c(C=NNC(=O)c2cccc([N+](=O)[O-])c2)cc1C(=O)O	800804233	VFSZUWKFPBGAEZ-UHFFFAOYSA-N	316.273	1.693	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@@H](OC)C2CC2)cc1	296744397	DQTZIUZFGICAOH-CQSZACIVSA-N	305.378	1.618	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)Cc2ccccc2OC)no1	294867813	OYORAGIRKHXJNG-UHFFFAOYSA-N	317.345	1.639	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ncsc1C(F)(F)F	294601082	JAZUAKDCIPGWGP-YFKPBYRVSA-N	309.269	1.102	50	20	DDGD	
COCCN(C)NC(=O)c1nc(-c2cccc(C)c2)[nH]c1C	296948874	CFEJCKKCOCIRNS-UHFFFAOYSA-N	302.378	1.917	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)C2(O)CCCC2)cc1C	291074161	BHVSTULFNLQWBU-UHFFFAOYSA-N	306.362	1.920	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CC[C@H](O)C23CCCC3)n1	292887433	ZICIVQXOOCGGFU-ZDUSSCGKSA-N	318.377	1.124	50	20	DDGD	
COc1nnccc1NC(=O)NNc1cccc(F)c1[N+](=O)[O-]	808902854	RDRSOAAQWXEULL-UHFFFAOYSA-N	322.256	1.681	50	20	DDGD	
COC(=O)C(C)(C)CCNC(=O)NNc1cc(Cl)ccn1	805768378	ZDESBXODGIGJMP-UHFFFAOYSA-N	314.773	1.950	50	20	DDGD	
O=C(CCc1ncccn1)NNC(=O)NCCc1cccs1	812534942	QSSKXLXPSSMZDO-UHFFFAOYSA-N	319.390	1.044	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)CCOc1ccccc1	812535886	JISDUAYQJOZUMC-QWHCGFSZSA-N	308.378	1.522	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@@H](CO)CN1CCCC1	819836547	CHUBBHMLVGFHRG-GHMZBOCLSA-N	321.259	1.369	50	20	DDGD	
C[C@@H](CN1CCCCCC1)C(=O)NN=Cc1cn(C)nc1O	814216653	VQIZVEYEMXJTRB-LBPRGKRZSA-N	307.398	1.088	50	20	DDGD	
COC(=O)Cc1occ(C)c1C(=O)NNC(=O)C1CCCC1	810098308	UANJPPVAHRTESO-UHFFFAOYSA-N	308.334	1.255	50	20	DDGD	
CC(CO)(CO)CNC(=O)CCCC[C@H]1CCSS1	816760437	RQXOMOKDWQMUBE-NSHDSACASA-N	307.481	1.808	50	20	DDGD	
O=C(CN1CCCCC1=O)NNc1cc(Cl)nc(Cl)c1	819741844	UCDNLYMQXAJJSX-UHFFFAOYSA-N	317.176	1.844	50	20	DDGD	
COC(=O)CCCONC(=O)c1c(C)nn(CCCl)c1C	811558098	ISZUABBXGFYILP-UHFFFAOYSA-N	317.773	1.353	50	20	DDGD	
CC(=NNC(=O)Cn1nc(C)cc1C)c1csc(C(=O)O)c1	814752988	LFVOMRKOSDMWNY-UHFFFAOYSA-N	320.374	1.800	50	20	DDGD	
CN(C)C(=O)NNC(=O)C1CCC(OC[C@@H]2CCCO2)CC1	815147307	SKPNAOZDWAYPRR-BPCQOVAHSA-N	313.398	1.043	50	20	DDGD	
CN(NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)C1CC1	819645538	MILULNCPQBSRPV-CQSZACIVSA-N	313.401	1.654	50	20	DDGD	
C=C(CBr)COC(=O)[C@@H]1CCc2nnn(C)c2C1	811341493	XMOAXGCDTKGWPA-SECBINFHSA-N	314.183	1.414	50	20	DDGD	
Cc1nc(CC(=O)NN=C2CC[C@@H](C(=O)O)C[C@H]2C)cs1	814740411	TVKQJXGBXWNFEO-PSASIEDQSA-N	309.391	1.987	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc(Cl)n1)c1nnnn1C1CC1	814324389	HUMZQHQHAITZAE-SSDOTTSWSA-N	322.760	1.444	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(O)ccc2Cl)n1	810467302	YWYZRKITLHRRQQ-UHFFFAOYSA-N	308.725	1.910	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1cccn2c(O)nnc12	817011123	GRPXMQBRASUKRR-UHFFFAOYSA-N	304.697	1.240	50	20	DDGD	
CSCCNC(=O)NNC(=O)c1cc(C)nc2ccccc12	726279332	TYPVYNHDWIFETO-UHFFFAOYSA-N	318.402	1.850	50	20	DDGD	
CCOCC(=O)NN[C@H](C(=O)O)c1cc(Cl)cc(Cl)c1	829940515	TVCGUOIPGWOTGU-NSHDSACASA-N	321.160	1.776	50	20	DDGD	
COc1ccc(O)c(C(=O)NNC(=O)c2cccc(C#N)c2)c1	728828184	KKLGRXZRMYYVHC-UHFFFAOYSA-N	311.297	1.347	50	20	DDGD	
Cc1cccn2cc(CC(=O)NNC(=O)C3CCCC3)nc12	725883327	GKYPJUQLNPKJAZ-UHFFFAOYSA-N	300.362	1.523	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H](C)c2nc[nH]n2)cc(C#N)n1C	490811460	FUTFRCOJNZHESD-UYJACEEMSA-N	309.333	1.108	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@H]1COc2ccccc2O1)C1CCC1	822192260	GNONAMBJDCHODI-CQSZACIVSA-N	318.373	1.800	50	20	DDGD	
O=S(=O)(CCl)N[C@@H](CO)Cc1c[nH]c2ccccc12	820791885	GWDGVBYRVCIEES-SNVBAGLBSA-N	302.783	1.187	50	20	DDGD	
CN(NC(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)C1CC1	824026278	MALFXTLJPDQLKN-AWEZNQCLSA-N	318.377	1.935	50	20	DDGD	
CCCCC[C@H](O)CC(=O)NNc1cccc(-c2nn[nH]n2)c1	825267230	JXJMKEUAAPZQKB-ZDUSSCGKSA-N	318.381	1.641	50	20	DDGD	
O=C(CCCOc1ccccc1Cl)N1CC[C@H](B(O)O)C1	585076563	NMEYYBJVMABQEQ-NSHDSACASA-N	311.574	1.574	50	20	DDGD	
COC(=O)c1occc1/C=C(\C#N)C(=O)Nc1ccn(C)n1	490781794	FATUDYOFBIEQKJ-JXMROGBWSA-N	300.274	1.345	50	20	DDGD	
CCN(CCO)NC(=O)CCCc1nc(-c2cccs2)no1	823847637	ZAJDYACAGQESDL-UHFFFAOYSA-N	324.406	1.466	50	20	DDGD	
COC(=O)N(C)CC(=O)NNc1cc(Cl)nc(Cl)c1	496483042	XGGIQWWIOLQQKY-UHFFFAOYSA-N	307.137	1.530	50	20	DDGD	
COC[C@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)[C@H]1CCCO1	491007808	GZMIYELYAXKOOG-FKZVYCBESA-N	316.357	1.609	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1cnn(CC2CCC2)c1	901163431	JBYSVHIXVUOSDA-UHFFFAOYSA-N	314.393	1.798	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1	495693670	REIZLXWGBPOQHB-UHFFFAOYSA-N	319.277	1.124	50	20	DDGD	
C[C@H](NC(=O)c1ccccc1)C(=O)NN(C)C(=O)OC(C)(C)C	496593696	WMDSYLQNXUIMPA-NSHDSACASA-N	321.377	1.703	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1	827269221	WEMXCRWAXBNJGC-KRKCSGGHSA-N	319.405	1.296	50	20	DDGD	
CCc1onc(-c2ccccc2)c1C(=O)N1CC[C@@H](B(O)O)C1	585063740	GNMKIJRXCGVJBC-GFCCVEGCSA-N	314.150	1.593	50	20	DDGD	
C[C@@H](NCc1ccc(B(O)O)cc1)c1nc2c(s1)CCC2	585046286	PBDKWFTYVZGJAB-SNVBAGLBSA-N	302.208	1.162	50	20	DDGD	
CCNC(=O)[C@@H](NC(=O)[C@@]1(C)C[C@H]1Br)C(C)C	908403013	KYCVHPZMXDCTGZ-PTRXPTGYSA-N	305.216	1.437	50	20	DDGD	
O=C(CCc1ccco1)NNC(=O)NC1CCC(C(=O)O)CC1	821377486	IDMKVEDXJBRDMK-UHFFFAOYSA-N	323.349	1.186	50	20	DDGD	
COC(=O)N(C)NC(=O)c1nn(-c2cc(C)ccc2F)cc1O	495692320	HKNQLNDAEQXFBE-UHFFFAOYSA-N	322.296	1.368	50	20	DDGD	
CCNC(=O)NNC(=O)/C(C#N)=C/c1ccc(OCC)cc1	490611695	SJSHSXKFRGBABA-FMIVXFBMSA-N	302.334	1.343	50	20	DDGD	
CCN(CCO)NC(=O)[C@H](C(=O)OC(C)(C)C)C1CCCC1	823897411	APCMGNLASLKNQZ-CYBMUJFWSA-N	314.426	1.480	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H](C)C(C)C)o1	735939779	SOGSXUVAVJWQDR-QMMMGPOBSA-N	307.358	1.713	50	20	DDGD	
O=C(NNC(=O)c1ccc(C(=O)O)cc1)NC1CCCCC1	821451645	FASOHZFBAKWMHS-UHFFFAOYSA-N	305.334	1.662	50	20	DDGD	
CCc1ncc(C(=O)NNC(=O)COc2ccccc2O)s1	730778838	WWBARZGWWGXCIW-UHFFFAOYSA-N	321.358	1.251	50	20	DDGD	
CC(=NNC(=O)c1ncon1)c1ccc2c(c1)OCCCO2	901285869	NDXTYTIZCJJAGL-UHFFFAOYSA-N	302.290	1.385	50	20	DDGD	
CCOCC(=O)NN=Cc1cccn1-c1ccc([N+](=O)[O-])cc1	731153906	KSQHZVKXVRFWEG-UHFFFAOYSA-N	316.317	1.872	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1C[C@H](c2cnn(C)c2)C(C)(C)C1	491085981	SPTJYDAIBINSDF-GAJOTYCWSA-N	302.378	1.816	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc(F)cc1C#N	831535473	WRAMZKWBOQFVJG-LDYMZIIASA-N	306.297	1.275	50	20	DDGD	
C[C@H]1CC[C@H](CNC(=O)NNC(=O)c2cc3ccccc3o2)O1	838741390	CVFBIPWGMIMLKU-CMPLNLGQSA-N	317.345	1.944	50	20	DDGD	
CCCN(Cc1ccccc1F)[C@H](C)C(=O)NNC(=O)CC	732200195	SCSUSKTWJNGJDS-GFCCVEGCSA-N	309.385	1.984	50	20	DDGD	
Cn1cc(CC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)cn1	739029524	ZIGAKVLEFCRKNH-UHFFFAOYSA-N	305.246	1.175	50	20	DDGD	
CN(C)Cc1c(C(=O)N2CC[C@H](B(O)O)C2)oc2ccccc12	585069449	MJFRRKZWAHUBPP-NSHDSACASA-N	316.166	1.183	50	20	DDGD	
CCC[C@@H]1CCC[C@H]1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	832894527	QIBUZGVUWBBOBR-MGPQQGTHSA-N	316.467	1.695	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cn2ccnc12	831834171	BJVBYMAYMMJAIT-CMPLNLGQSA-N	317.349	1.220	50	20	DDGD	
Cc1cc(Br)c(C(=O)NNC(=O)C2CC2)s1	837310678	GIKQFPIPBVPRMO-UHFFFAOYSA-N	303.181	1.990	50	20	DDGD	
Cc1nc2c(s1)CCC[C@H]2C(=O)Nc1cccc(B(O)O)c1	584912357	DXZGRPGUTZYIKV-GFCCVEGCSA-N	316.191	1.190	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)C1=Cc2cc(F)ccc2OC1	833242485	LEVJTWOCLLBVEH-AWEZNQCLSA-N	320.320	1.318	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNC(=O)NCC(F)(F)F)s1	907966158	ABWLFBDIPUHTQY-UHFFFAOYSA-N	310.301	1.195	50	20	DDGD	
N#C/C(=C/c1cnc2ccc(-c3nn[nH]n3)cn12)c1ccccn1	737672033	LFWBPXNEYOOFRX-GHXNOFRVSA-N	314.312	1.974	50	20	DDGD	
CC(C)Oc1cccc(NC(=O)NNC(=O)Cc2cc[nH]n2)c1	836730528	QILXHGKSMWDLBT-UHFFFAOYSA-N	317.349	1.592	50	20	DDGD	
O=C1CCCCN1c1cccc(NCc2ccc(B(O)O)cc2)c1	585012187	OLVPCDXYBOAVCD-UHFFFAOYSA-N	324.189	1.495	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C1CCNC(=O)CC1	834920984	COMTUHABEHREQX-UHFFFAOYSA-N	319.361	1.236	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)Nc1ccc(OC)cc1)C1CC1	836370923	KFEKNMUFOVIWJM-ZDUSSCGKSA-N	322.365	1.456	50	20	DDGD	
O=C(/C=C/c1cccc(OCc2ccccc2)c1)NCB(O)O	585060542	GEKNGULJDUJMJL-MDZDMXLPSA-N	311.146	1.407	50	20	DDGD	
COc1ccc(OC(C)(C)C(=O)NNc2cnccn2)cc1	832395607	PAAFDEGFNOVOQZ-UHFFFAOYSA-N	302.334	1.786	50	20	DDGD	
CCOc1cc(C(=O)N(C)C)ccc1NC(=O)NNC(=O)O	830032962	WLWUOHGFVBFJSD-UHFFFAOYSA-N	310.310	1.091	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=Cc1ccc(O)c(O)c1	916275484	BFHQMRBJOHJGHK-UHFFFAOYSA-N	324.340	1.906	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](O)C2CCCCC2)cc1F	837057744	IKCKOAOGAWJQCW-CQSZACIVSA-N	324.352	1.997	50	20	DDGD	
CC[C@@H](NS(=O)(=O)CCl)[C@@H](O)c1c(F)cccc1F	830750026	CAKVMUIUXNVCAT-MWLCHTKSSA-N	313.753	1.893	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNC(=O)Cc1ccccc1C	836605384	PMRQCVHCZVMNFS-KGLIPLIRSA-N	303.362	1.211	50	20	DDGD	
O=C(NNc1ccccn1)[C@@H]1CCCC[C@@H]1N1CCCC1=O	831750134	SRQCNQOYLQGPDN-OLZOCXBDSA-N	302.378	1.706	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C	831853739	GAOMSRZYBCCHRY-SNVBAGLBSA-N	315.414	1.683	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2ccc(O)c(O)c2)c1	915928594	JKPGMAPYYBBKJU-UHFFFAOYSA-N	300.314	1.935	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(F)cc([N+](=O)[O-])c1	833250554	IUVWCDSDOXJGIY-NSHDSACASA-N	311.269	1.064	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2csc(C)n2)cc1	916296843	OKQXLBWWCTVEAE-UHFFFAOYSA-N	305.359	1.989	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=CC(C)(C)NC(=O)OC(C)(C)C	842560605	NARRPBKWRTWLGF-MNOVXSKESA-N	313.398	1.817	50	20	DDGD	
CCNC(=O)NN=C(C)c1ccc(S(C)(=O)=O)c(OC)c1	747049800	VIVXXWBNLHVYDF-UHFFFAOYSA-N	313.379	1.142	50	20	DDGD	
NC[C@@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)C1CCCC1	841988320	UNONIKMQNWMEQP-CQSZACIVSA-N	322.384	1.216	50	20	DDGD	
N[C@H](CNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)C1CC1	841965982	NDZZQXQXBYUZSM-HSVOFOGUSA-N	320.437	1.271	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@H](C(C)C)N(C)C)cc1	846372673	YLWLVOJYSDDGTK-HNNXBMFYSA-N	307.394	1.431	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=Cc1ccc(Cl)nc1	748781029	RBXCGLQFWDPCOO-UHFFFAOYSA-N	323.765	1.212	50	20	DDGD	
O=C(C=C1CCCC1)NNC(=O)[C@@H]1COc2ccccc2O1	917537325	GUHSJNIYMGXCLX-AWEZNQCLSA-N	302.330	1.474	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H]2CCc3ncncc3C2)cc1	843518176	SGROZKONTZFDAN-AWEZNQCLSA-N	324.384	1.605	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccn2)no1)c1ccccn1	746091863	LNQJZTABQZRJNX-UHFFFAOYSA-N	309.285	1.206	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCc2c(F)ccc(F)c21	749621293	GWCXPTVQTDYVJS-SECBINFHSA-N	312.316	1.783	50	20	DDGD	
CC(C)CCOc1ccc(C(=O)NNC(=O)NCCN)cc1	841922095	XIVBEAQQYMZUNX-UHFFFAOYSA-N	308.382	1.014	50	20	DDGD	
Cc1ccc(F)c2c1C(=NNC(=O)Cc1ccncc1)C(=O)N2	747641166	YENJELTYKVKEDN-UHFFFAOYSA-N	312.304	1.544	50	20	DDGD	
CO[C@@H](C=NNC(=O)COc1ccc(C#N)cc1)[C@@H]1CCOC1	841607551	WHFFDKOWJOKVTR-HIFRSBDPSA-N	317.345	1.091	50	20	DDGD	
Cc1ccc(NNC(=O)c2ccnn2CCN(C)C)cc1F	912711827	NRAFAKQSXSQIMA-UHFFFAOYSA-N	305.357	1.649	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCOC(C)C)cc1OC	914709700	SZXPSCRXIPHLAE-UHFFFAOYSA-N	310.350	1.280	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(Cc2cncs2)CC1	913414724	RPWNSTDNAXYXOF-BENRWUELSA-N	306.391	1.231	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)COc1ccc(C)c(C)c1)[C@@H](C)O	842223326	HGGZOEBHOKORNX-OCCSQVGLSA-N	308.378	1.237	50	20	DDGD	
O=C(NCc1nnc2n1CCC2)NNc1cc(F)ccc1F	913979216	NXWFKDQKMADUDG-UHFFFAOYSA-N	308.292	1.329	50	20	DDGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)[C@]1(O)CCOC1	840401767	NSBOVMYNQUMUPX-LBPRGKRZSA-N	320.267	1.222	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1ccc(Cl)cc1	842587349	ZSGNNUXVJGLJPO-KCJUWKMLSA-N	318.782	1.075	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(Cl)nc(Cl)c1	843643030	BWJMLPDHAWRMAX-SVRRBLITSA-N	318.160	1.574	50	20	DDGD	
Cc1cc(O)cc2c1C(=O)C(=NNC(=O)[C@@H]1CCO[C@H]1C)O2	842554012	HYZFFJIOKSCCIO-WCBMZHEXSA-N	304.302	1.130	50	20	DDGD	
COc1ccc2cc(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)[nH]c2c1	843972412	GWCISTBGSVDVEP-CABZTGNLSA-N	317.345	1.363	50	20	DDGD	
C[C@H](CNS(=O)(=O)CBr)C(=O)OC(C)(C)C	848487943	BHFLRDJGVFPYBC-SSDOTTSWSA-N	316.217	1.236	50	20	DDGD	
O=C(Cc1cc(F)cc2c1OCOC2)NNc1ccncn1	857519667	CFPIUSMOXSBELW-UHFFFAOYSA-N	304.281	1.168	50	20	DDGD	
CC(=O)N[C@H](CC(C)C)C(=O)NNC(=O)NC1CCCCC1	858130239	CTLDABQHLYJCQH-CYBMUJFWSA-N	312.414	1.200	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2cnccn2)cc1[N+](=O)[O-]	755337776	VCJXSTDCQZZJCD-UHFFFAOYSA-N	316.277	1.160	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](C)CCN1CCI	759436224	KTAIEQGFBNDOCV-DTWKUNHWSA-N	311.163	1.695	50	20	DDGD	
Cc1nocc1C=NNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C	853373912	SDQDCABWRIJPJZ-CHWSQXEVSA-N	317.349	1.335	50	20	DDGD	
CC[C@@H](C)N(C)CCNC(=O)NNc1ncc(Cl)cn1	856856295	SLXQACKLBTVBCX-SECBINFHSA-N	300.794	1.486	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)C(=O)Nc1ccnn1C(C)C	850586344	PNZFFVIXRIXELN-UHFFFAOYSA-N	319.340	1.993	50	20	DDGD	
C[C@H](N)CCNC(=O)NNc1ccc(F)cc1Br	857113922	KBMHMCKTYMWABN-ZETCQYMHSA-N	319.178	1.952	50	20	DDGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCC(OCCO)CC1	757120057	GVERMXNHDLODOG-BNCCVWRVSA-N	317.345	1.933	50	20	DDGD	
COc1ncc(C(=O)NNc2nc(C(F)(F)F)cs2)cn1	755853051	RCTGGTNMWDOYSA-UHFFFAOYSA-N	319.268	1.717	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)c1ccccc1-n1cnnn1	857531777	ABTHGKOEXXYHDK-UHFFFAOYSA-N	317.259	1.092	50	20	DDGD	
CC[C@@](O)(C(=O)NNc1ccncn1)c1cccc(Cl)c1	857521224	DGTUIFNMHWWYFI-AWEZNQCLSA-N	306.753	1.871	50	20	DDGD	
NC[C@H]1OCC[C@H]1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	852813885	IJNBRESMRSYOEC-LDYMZIIASA-N	314.729	1.055	50	20	DDGD	
CS(=O)(=O)Nc1cccc(C(=O)NCCCSC#N)c1	854364027	XLMDVXLUBYRXKA-UHFFFAOYSA-N	313.404	1.392	50	20	DDGD	
COc1ccnc(NNC(=O)c2cnccc2C(F)(F)F)n1	857436474	DIXYVGSIHAUFOY-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
O=C(CCN1CCOCC1)NNc1ccccc1C(F)(F)F	751316507	WELCIPRSWCKAHL-UHFFFAOYSA-N	317.311	1.871	50	20	DDGD	
COCCOCc1cccc(NC(=O)NNC(=O)CC2CC2)c1	755968569	APABCFNRSQMZFD-UHFFFAOYSA-N	321.377	1.802	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)NC2CCCC2)COc2ccccc2O1	858852986	FBMIEYSNPKZJNK-MRXNPFEDSA-N	319.361	1.490	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(CCCS(N)(=O)=O)C1	852524171	HGAHBONGABWBBA-LBPRGKRZSA-N	322.547	1.761	50	20	DDGD	
O=C(NNC(=O)C1SCCCS1)OCC(F)(F)F	856026164	OOCGESBVKMHKDT-UHFFFAOYSA-N	304.315	1.502	50	20	DDGD	
C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)c1cccn1C	920622830	BPKNUBZMHSERAN-NSHDSACASA-N	312.329	1.125	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)N[C@H](CO)C2CC2)cc1	852400584	PXQSDMPHPSLKKL-CQSZACIVSA-N	319.405	1.699	50	20	DDGD	
O=C(NNC(=O)N1CCc2ccc(O)cc2C1)C1CCCC1	753338114	CHWGMGHSDDANJR-UHFFFAOYSA-N	303.362	1.681	50	20	DDGD	
Cc1ccccc1C[C@@H](C)C(=O)NNC(=O)c1cnn(C)c1	859447161	LJZUNAQINHSPMI-GFCCVEGCSA-N	300.362	1.368	50	20	DDGD	
Cc1ccc(C[C@H](CO)NC(=O)NNC(=O)C2CCCC2)cc1	753356407	YCEXYLXDJAXKFY-OAHLLOKOSA-N	319.405	1.419	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NC[C@]1(C)C[C@@H]1Br	857385098	DHVSNLFGHMPYPE-PTRXPTGYSA-N	306.200	1.865	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H]([C@H]2CCCCO2)C1	852594294	BDNSBYJXDJMDGO-BFHYXJOUSA-N	311.426	1.213	50	20	DDGD	
COC[C@](C)(O)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	754989893	SVGSQBHYBBQUMJ-NSHDSACASA-N	303.702	1.089	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H]2CCCN2C(C)C)cc1	935858279	TZJDURIIZBEHAL-CQSZACIVSA-N	320.393	1.721	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NN[C@@H](C)C(F)(F)F	862306039	BHDFCMVQTRGLTE-LAEOZQHASA-N	304.268	1.787	50	20	DDGD	
O=C(/C=C\CCc1ccccc1)NNC(=O)N1CCOCC1	865046269	HSWAGAIJVFTIDY-UITAMQMPSA-N	303.362	1.248	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CCNC(C)(C)C)cc1	936036196	NXXIEPQWFWUCLE-UHFFFAOYSA-N	321.421	1.553	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1c(Cl)nc2ccccn12	863149409	YYLBYDLWURLMCA-VIFPVBQESA-N	319.752	1.107	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1ccc(OCC2CC2)cc1	763817761	VQUBWSZHGOOGOI-UHFFFAOYSA-N	319.361	1.217	50	20	DDGD	
O=C(CCCn1ccnc1)NNCC(F)(F)C(F)(F)F	863094508	LMNQZZXPEJOFFB-UHFFFAOYSA-N	300.231	1.482	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	865820093	IPYHWODGIXBNGL-UHFFFAOYSA-N	316.361	1.448	50	20	DDGD	
CN1CCN(S(=O)(=O)CC(C)(C)CCl)C(C)(C)C1=O	866944930	DCPJERPSCNSGSB-UHFFFAOYSA-N	310.847	1.134	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cnn(C2CC2)c1	861765483	SUHMRCDPWJGVAB-UHFFFAOYSA-N	314.345	1.230	50	20	DDGD	
COCCCOc1ccc(C(=O)NN=c2cc[nH]c(C)c2)cn1	862511496	RJSMBUOFCSFRQS-UHFFFAOYSA-N	316.361	1.379	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)NCC(F)(F)F)c2ccccc21	861515101	OOCVRZWYRDYCJN-UHFFFAOYSA-N	315.255	1.080	50	20	DDGD	
CCC(=O)N[C@@H](CCSC)C(=O)NN[C@H](C)C(F)(F)F	862310228	SBTJTELRVQKVRX-SFYZADRCSA-N	315.361	1.206	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)C(C)(C)C)cccc1-n1cnnn1	769935575	PBRJFTCTTJXIRQ-UHFFFAOYSA-N	317.353	1.170	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@H]1CCc2cccnc21	863098827	UZTXFQMZOOYBLC-QMMMGPOBSA-N	309.238	1.930	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2	769147299	PKVJZNLVSIFFLY-UHFFFAOYSA-N	304.350	1.270	50	20	DDGD	
CN(C)[C@@H]1CCCN(S(=O)(=O)CC(C)(C)CCl)CC1	867192179	WRINWUSIHFJKCS-GFCCVEGCSA-N	310.891	1.997	50	20	DDGD	
Cn1nc2c(c1S(=O)(=O)N1CC=C(C#N)CC1)CCCC2	867068521	BDTJJLGSUSVIDY-UHFFFAOYSA-N	306.391	1.143	50	20	DDGD	
CCNC(=O)N(C)N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2	769591003	BOIQQKZYFXBPET-UHFFFAOYSA-N	308.294	1.361	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NNc1ccc(F)c(Cl)c1	863081451	KXBHMIBEIALMQD-SNVBAGLBSA-N	315.776	1.891	50	20	DDGD	
CN(C)c1ccc(C(=O)NNc2ncnc3ccsc23)cn1	766672949	GQPCWQKVCKLPTL-UHFFFAOYSA-N	314.374	1.909	50	20	DDGD	
CCNC(=O)CNC(=O)NNc1nc2c(C)cccc2s1	867978485	MFUQTCYGMMATPT-UHFFFAOYSA-N	307.379	1.367	50	20	DDGD	
O=C(Cc1n[nH]c2ccccc12)NNCC(F)(F)C(F)(F)F	863094839	VCFBFLLUDSMOKH-UHFFFAOYSA-N	322.237	1.924	50	20	DDGD	
Cc1ccnn1-c1ccccc1NCc1ccccc1B(O)O	864033885	LMVIQTUJHXIDGR-UHFFFAOYSA-N	307.162	1.473	50	20	DDGD	
COC(C)(C)CCNC(=O)NNC(=O)CCc1ccccc1	868989439	JLYHQVPPZVTENJ-UHFFFAOYSA-N	307.394	1.765	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(-c2cnco2)cc1	764466152	VPYFGINGMBXSOZ-UHFFFAOYSA-N	311.301	1.897	50	20	DDGD	
Cc1c(C(=O)NNc2ncc(F)cn2)nnn1-c1ccccc1	760906798	SUCRTSPYPJUYBE-UHFFFAOYSA-N	313.296	1.262	50	20	DDGD	
COc1ccc2oc(C=NNC(=O)C(=O)NC(C)C)cc2c1	763359286	NFHXBRLUKSKEQS-UHFFFAOYSA-N	303.318	1.416	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1CCCOc2ccc(F)cc21	875141375	OFYHHVNZVGRDBW-NSHDSACASA-N	311.313	1.952	50	20	DDGD	
O=C(NNc1ccccn1)c1ccc2nnc(C(F)F)n2c1	1116496594	LTOWEPOWFCCQCW-UHFFFAOYSA-N	304.260	1.819	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1CCCOc2cc(F)ccc21	875461138	IMBQWNYWDZPVAL-LLVKDONJSA-N	311.313	1.952	50	20	DDGD	
CSCCNC(=S)NNC(=O)CC(C1CC1)C1CC1	1116450145	STWCWDOWVFDNIG-UHFFFAOYSA-N	301.481	1.671	50	20	DDGD	
N#CSCCCNC(=O)CNC(=O)c1cccc(Cl)c1	774295034	ZLCQEZKUPYWEHP-UHFFFAOYSA-N	311.794	1.790	50	20	DDGD	
O=C(NNc1ncc(F)cn1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2	1116403284	KMVVEVQCQZMERG-OAAXVMEWSA-N	306.341	1.390	50	20	DDGD	
C[C@H](CC(=O)O)CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	872831135	GDTCLOKLOSDFAF-DKHPWKACSA-N	322.405	1.851	50	20	DDGD	
COCC(=O)Nc1ccc(NC(=O)NNc2ncccn2)cc1	775476679	AZYMTFCJBFIYQQ-UHFFFAOYSA-N	316.321	1.210	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C)c(OC)c1	771913823	PDXLDWPEIRNHIY-JTQLQIEISA-N	308.334	1.106	50	20	DDGD	
C=CCSc1ccccc1C(=O)NNC(=O)N1CCOCC1	777242080	PXHXDSRGGGWQMS-UHFFFAOYSA-N	321.402	1.651	50	20	DDGD	
CCCC[C@@H](NC(N)=O)C(=O)NNc1cc(F)ccc1F	885144464	DJRAFTHYMCBJBM-SNVBAGLBSA-N	300.309	1.635	50	20	DDGD	
COc1cccc(NNC(=O)NCCOc2ccccc2F)n1	779965844	YGPWBFOGSLEIJH-UHFFFAOYSA-N	320.324	1.934	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@]1(C)C(C)C	775073436	LPOYXIPWVUBKRG-MQIPJXDCSA-N	312.410	1.794	50	20	DDGD	
CC(=NNC(=O)c1nnc(O)c2ccccc12)[C@@H]1CCCO1	783806348	MZQDKIVYAYAARA-LBPRGKRZSA-N	300.318	1.620	50	20	DDGD	
COCCOCc1ccc(NC(=O)NN(C)CCOC)cc1	880190191	PRKNWAOWAUMDBL-UHFFFAOYSA-N	311.382	1.464	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccnc(C2CC2)c1	783059974	DPRCHBIJUYRWSG-UHFFFAOYSA-N	310.448	1.431	50	20	DDGD	
O=C(NC[C@@H]1CCC=CO1)NNC(=O)c1cc2c(s1)CCC2	780734872	JHCSBKYNGTYKSA-NSHDSACASA-N	321.402	1.874	50	20	DDGD	
CCOC(=O)N(C)CCCC(=O)NNc1nc2ccccc2[nH]1	897253289	CFTLZJBLCBCSRL-UHFFFAOYSA-N	319.365	1.875	50	20	DDGD	
CNC(=O)CCCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	781071671	WFMGDYXNYDKOAP-UHFFFAOYSA-N	321.421	1.267	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C(=O)c1ccc2c(c1)CCC2	899991842	BQLQSFOGFZBNED-UHFFFAOYSA-N	319.430	1.652	50	20	DDGD	
CCOC(CCNC(=O)NNc1cncc(Cl)n1)OCC	786902057	DXGCPFLWMOFCCI-UHFFFAOYSA-N	317.777	1.545	50	20	DDGD	
O=C(NN=Cc1ccc([N+](=O)[O-])s1)C(=O)Nc1ccccn1	782229228	QYTDAKGBBUWKAO-UHFFFAOYSA-N	319.302	1.140	50	20	DDGD	
CNC(=O)NNC(=O)c1cccc(CNC(=O)OC(C)(C)C)c1	786820127	VYVKBHAAHBNWLE-UHFFFAOYSA-N	322.365	1.285	50	20	DDGD	
C[C@H](NC(=O)CCC(=O)NNc1ncccn1)c1ccccc1	895630236	IHOVQORVYUBIMO-LBPRGKRZSA-N	313.361	1.577	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)c2ccccc2OC)on1	793011620	DCMZLPSSVDQSNR-UHFFFAOYSA-N	317.301	1.624	50	20	DDGD	
C[C@H](NNC(=O)Cc1ccn(CC(F)(F)F)n1)C(F)(F)F	899145612	APMIFPKJAZNGEB-LURJTMIESA-N	318.221	1.560	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H]2CCN2C(C)(C)C)cc1	895556070	GMHZRTQFTVUTPY-CQSZACIVSA-N	318.421	1.427	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)[C@H]1CC(c2cccnc2)=NO1	792406799	NSPKHRSZQBRMAS-CQSZACIVSA-N	322.328	1.594	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=O)NC2CCCCC2)C1	899940230	HRDHBPYCYXYFMZ-ZWNOBZJWSA-N	319.409	1.739	50	20	DDGD	
C[S@@](=O)C1(CNC(=O)[C@H](Br)C(C)(C)C)CC1	799774610	DZDWPWYEDQGYAX-ZKANADHPSA-N	310.257	1.823	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41	795112284	YVBCHADJUXVOCZ-OTRDUBGWSA-N	316.792	1.967	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)Cc1ccccc1OC	795017705	OYSCJSREYCWTTA-NHYWBVRUSA-N	308.378	1.446	50	20	DDGD	
Nc1cnnc(NNC(=O)Cc2ccc3c(c2)OCO3)c1Cl	1322679631	PCAVQPVLKCHILM-UHFFFAOYSA-N	321.724	1.127	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC2(OC)CCCC2)cc1	1328203189	AYNRKODZRRURMH-UHFFFAOYSA-N	321.377	1.598	50	20	DDGD	
COc1ccc(OC)c(C(=O)NNc2nncc(N)c2Cl)c1	1322645014	FYLRYLVOUHJAMS-UHFFFAOYSA-N	323.740	1.486	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NC/C=C/C1CC1	1325007503	IWMDUHLBLKVBRH-SGUJLRQBSA-N	321.352	1.890	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1sc2cccc(F)c2c1C	1320398616	SUZIYHJNJGDELK-UHFFFAOYSA-N	302.352	1.678	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1CCCCN1Cc1ccncc1	1324970906	ZJSUIYAHFVLOCK-HNNXBMFYSA-N	306.410	1.046	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1NC(=O)C(=O)NNc1ccccn1	1320915145	KDHRUZWTUCLXIQ-UHFFFAOYSA-N	316.365	1.194	50	20	DDGD	
CS(=O)(=O)c1ccc(NNC(=O)c2ocnc2C2CC2)cc1	1324442767	PGWXFXBVSJRAIH-UHFFFAOYSA-N	321.358	1.712	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@](O)(C3CC3)C2)C[C@H]1Br	1328573047	HRUBHVSEZQNAOI-RAIGVLPGSA-N	317.227	1.716	50	20	DDGD	
CO[C@H](CNC(=O)NNc1ccc(C#N)cn1)C(F)(F)F	1333502137	IVHKKCAYNPRNLA-MRVPVSSYSA-N	303.244	1.157	50	20	DDGD	
Cn1c(=O)cc(C(=O)NNC(=O)CC(C)(C)C)c2ccccc21	1338529746	QHUOXCZRNUCIML-UHFFFAOYSA-N	315.373	1.736	50	20	DDGD	
Cc1ccccc1C(F)(F)C(=O)NNC(=O)[C@@H]1CCCCO1	1347860348	FQEAMPQAZIQSGT-LBPRGKRZSA-N	312.316	1.803	50	20	DDGD	
CC1=NO[C@@](C)(C(=O)NNc2ncc(Br)cn2)C1	1262630788	KTODUWOZUPQEIN-SNVBAGLBSA-N	314.143	1.237	50	20	DDGD	
COc1cc(C=NNC(=O)CCN2CCC(C)CC2)sn1	1348633489	YLYLIZNECIZPFJ-UHFFFAOYSA-N	310.423	1.724	50	20	DDGD	
CC1(C)C[C@@](C)(NC(=O)NNC(=O)c2ccccc2)C(=O)O1	1348576377	JWUIARQTNQGXTQ-OAHLLOKOSA-N	305.334	1.115	50	20	DDGD	
O=C(NCCC(=O)N1CCOCC1)C1CCC(Cl)CC1	1520773764	XLIQRLPQPZQTHN-UHFFFAOYSA-N	302.802	1.149	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1cc(F)c(C(=O)O)c(F)c1	1601248950	YDMJMURXXLPSPS-UHFFFAOYSA-N	313.260	1.616	50	20	DDGD	
CC(C)(C)CCCNC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1603072035	WOZQTIYAISIORV-UHFFFAOYSA-N	318.385	1.714	50	20	DDGD	
Cc1nc(C(=O)N(c2nc(CC(=O)O)cs2)N(C)C)c(C)o1	1607943893	JMUZNIDNFYQPTH-UHFFFAOYSA-N	324.362	1.498	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)[C@@H]2CO[C@@H](CCC(=O)O)C2)c1	1605282202	PYIZPRRZDBEPSW-QWRGUYRKSA-N	310.325	1.847	50	20	DDGD	
O=C(O)Cc1occc1C(=O)NNc1nc2cccnc2s1	1602155064	BLRCRNFJGOANCA-UHFFFAOYSA-N	318.314	1.668	50	20	DDGD	
C[C@@H](C(=O)O)N(C(=O)/C(C#N)=C/c1ccc(O)cc1)C1CC1	1609706615	ZVWMUBROTOVDFM-MJWAUXSNSA-N	300.314	1.763	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CCOc3ccccc32)nc1	1608904092	GTXBJIGHJNHAGY-GFCCVEGCSA-N	313.313	1.789	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)CCNC(C)C)cc1OC	1578171358	BZIYVWVBZQVLHG-UHFFFAOYSA-N	323.393	1.243	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)C(F)(F)Cl)C1	1846480696	MDPCDXNSIOBDFI-ZCFIWIBFSA-N	319.110	1.556	50	20	DDGD	
N[C@@H](CC(=O)NNC(=O)c1ccc(Cl)cc1F)C(F)F	1580121411	VKFSQAGJNLOCJT-QMMMGPOBSA-N	309.675	1.223	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)[C@H]2CCC=CO2)C1	1844245527	WHOMNULSVVFQEM-GHMZBOCLSA-N	316.760	1.417	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2ccc(C(=O)O)cc2F)[C@@H](C)O1	1594258425	SXVIGYUYJNSGGY-DNSOKLHBSA-N	311.313	1.716	50	20	DDGD	
O=C(/C=C/c1cccs1)NNc1ccc(-c2nn[nH]n2)cn1	1592802159	OZSHVGSDZLFAMF-GQCTYLIASA-N	313.346	1.480	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)[C@@]1(C(=O)O)C[C@H]2CC[C@H]1C2	1594474467	DZTVIQXCSXGTMW-UINNMSKDSA-N	323.374	1.104	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccc(F)c(C(=O)O)c1	1599738277	BMRPNDJULYRRHX-UHFFFAOYSA-N	321.268	1.471	50	20	DDGD	
CN1CCC(CC(=O)NNc2ccc(F)c(C(=O)O)c2)CC1	1598578757	COPMESHZGHTBSB-UHFFFAOYSA-N	309.341	1.699	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(/C=C\C(=O)O)o2)n1	1599679882	MOJUKZCPRFPVBO-VURMDHGXSA-N	303.274	1.538	50	20	DDGD	
O=C(NNC(=O)[C@@H](C(=O)O)C1CC1)c1c[nH]c2ccccc12	1594779153	JWJQCWWSXHXULK-LBPRGKRZSA-N	301.302	1.040	50	20	DDGD	
Cn1ncc(C(=O)O)c1/C=C(/C#N)C(=O)Nc1ccc(F)cc1	1776115540	BZBRYSNTQWFHDF-TWGQIWQCSA-N	314.276	1.803	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=C2CCOCCC2(F)F)c1	1776096011	GNFHRUKHPJXBTA-UHFFFAOYSA-N	312.272	1.916	50	20	DDGD	
CC(=NNC(=O)c1cccc(C(=O)O)c1)C1(S(C)(=O)=O)CC1	1776095946	CXNFXVYGCBVFMH-UHFFFAOYSA-N	324.358	1.068	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1)C(C)C	5704659	KOBWKWICUHQYRE-GFCCVEGCSA-N	311.769	1.262	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2ccc3c(c2)C(=O)NC3=O)c1	150789915	UHYOGOLJRUIQHU-UHFFFAOYSA-N	313.288	1.775	50	20	DDGD	
CN(C)CCn1ccc(NC(=O)NNc2ccc(C#N)cc2)n1	161091498	VAUHDLVHFGAAQD-UHFFFAOYSA-N	313.365	1.465	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H](C)Cc2c(C)noc2C)n1	162448094	HBPHQRZHMMLMCN-QMMMGPOBSA-N	320.353	1.347	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)c1ccncc1	158052258	LLJRICJVETYOMS-NWDGAFQWSA-N	317.295	1.925	50	20	DDGD	
Cc1ccsc1CCCC(=O)NNC(=O)C(=O)N1CCCC1	164105723	LLBYPWIQJNIFMR-UHFFFAOYSA-N	323.418	1.149	50	20	DDGD	
C[C@@H]1CCCCN1CC(=O)NNC(=O)c1cccc(C#N)c1	164715590	KJEPPWUPYZQCJT-GFCCVEGCSA-N	300.362	1.194	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)Nc1cc(C)cc(C)c1	152904438	IMNUPYCYIPBCSR-UHFFFAOYSA-N	320.393	1.761	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ccccc2F)cc1	153103760	KWOJDXAUDVDJCU-UHFFFAOYSA-N	303.293	1.916	50	20	DDGD	
N#Cc1cc(F)ccc1NC(=O)C(=O)NNc1ccccc1F	155597386	WYQQDYCPKGPMTF-UHFFFAOYSA-N	316.267	1.918	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNc2ccc(C(N)=O)nn2)s1	159898429	ZALLZTYSBCFPIJ-UHFFFAOYSA-N	319.390	1.691	50	20	DDGD	
COc1ccc(NNC(=O)C[C@H](C)NC(=O)C2CCCC2)nc1	159391356	UGHQCUJOVMAFJH-NSHDSACASA-N	320.393	1.618	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C[C@H]2C=CCC2)c1	8193783	FRKFQNDWZMDBKY-NSHDSACASA-N	304.346	1.821	50	20	DDGD	
CNC(=O)NNC(=O)CCC(=O)c1ccc(CC(C)C)cc1	56376441	XOGBDFCPSLPOLD-UHFFFAOYSA-N	305.378	1.808	50	20	DDGD	
CCC(=O)N[C@@H](CCSC)C(=O)NNC(=O)OC(C)(C)C	58836490	UPNDLIQDKMVQDS-VIFPVBQESA-N	319.427	1.190	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc(-n2cncn2)cc1	58583069	KHUWPOYIMMYRJK-ZROIWOOFSA-N	311.345	1.327	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1	106452006	LTJQAUKKELICHL-RKDXNWHRSA-N	318.299	1.468	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)c2ccc(C#N)cn2)c1	107786941	DMNREIQCCPZMGE-UHFFFAOYSA-N	321.365	1.566	50	20	DDGD	
O=C(CCn1cc([N+](=O)[O-])cn1)NNc1c(F)cccc1F	118509805	XYMZIGLUJDLUBL-UHFFFAOYSA-N	311.248	1.603	50	20	DDGD	
CC[C@H](C)CN(C)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	171948181	GOFSTZRJANXZAP-NSHDSACASA-N	322.365	1.334	50	20	DDGD	
CC(C)CCC(=O)NCC(=O)NNC(=O)CCc1ccccc1	171197906	KDNQVZBYESNBAF-UHFFFAOYSA-N	319.405	1.319	50	20	DDGD	
Cc1csc(=O)n1CCC(=O)NNC(=O)OC(C)(C)C	61475708	TTXWATNYRWNQOM-UHFFFAOYSA-N	301.368	1.164	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cc(O)nc2ccccc12	175785517	MHNJNETVWWCRBP-UHFFFAOYSA-N	322.324	1.339	50	20	DDGD	
Cc1cc(C)c2c(c1)CN(C(=O)NNC(=O)c1cn[nH]c1)CC2	1348122578	JTHKGVRIAONGFG-UHFFFAOYSA-N	313.361	1.439	50	20	DDGD	
C[S@](=O)CCCNC(=O)NNC(=O)c1cccc(Cl)c1	172072161	NTWNMELYWSOSTR-FQEVSTJZSA-N	317.798	1.053	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNc2nccnc2Cl)cc1	114893564	IYONDRYUQFMGLM-UHFFFAOYSA-N	303.709	1.524	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)N[C@H]2CCOC2)c(Cl)c1	178764140	QKQHGCQAPXWXHE-VIFPVBQESA-N	312.757	1.773	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@H]1C[C@H]2C=C[C@H]1C2	1343346877	HMGFDCDXJZUVJE-RWMBFGLXSA-N	315.373	1.851	50	20	DDGD	
O=C(CNC(=O)c1ccccc1)NNc1c(F)cccc1F	118511963	WEMBCJFAJSCDPS-UHFFFAOYSA-N	305.284	1.838	50	20	DDGD	
CS[C@H](C)CC(=O)NNC(=O)Cn1ccc2ccccc21	119029782	OMNZJOUPDPIGQL-LLVKDONJSA-N	305.403	1.930	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NCc1nccs1	170799341	QDJQNVCBEVXVDS-UHFFFAOYSA-N	318.402	1.996	50	20	DDGD	
O=C(COCc1ccccc1)NNc1nc2ccccc2c(=O)[nH]1	176779961	XHFIPMKQLNBUBD-UHFFFAOYSA-N	324.340	1.583	50	20	DDGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCC2(C1)OCCO2	177121846	HCJQSJUKCURNBT-RZNTYIFUSA-N	301.302	1.908	50	20	DDGD	
COC(=O)[C@@H](C)Oc1ccc(/C=C(/C#N)C(N)=C(C#N)C#N)cc1	123443165	PUXXPSHSCRXNEA-NUBYWOLOSA-N	322.324	1.794	50	20	DDGD	
O=C1NCc2cccc(NS(=O)(=O)CCCCCl)c21	187577526	DGWNLIJFODAMCP-UHFFFAOYSA-N	302.783	1.691	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1nc(Cc2ccccc2)cs1	129038397	NZTOHUHXROLUFB-UHFFFAOYSA-N	320.374	1.269	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(-n2ccnn2)cc1	184788923	YDRYZBMWWIWUGM-SNVBAGLBSA-N	302.338	1.466	50	20	DDGD	
COC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)c2ccc(C)s2)C1	73074942	UAXGCEKXAIMSFC-QWRGUYRKSA-N	324.402	1.797	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1cc(C)ccc1Cl	124176918	BOWXSUWJCBIZQZ-UHFFFAOYSA-N	319.814	1.941	50	20	DDGD	
Cc1ccc(CN2C[C@@H](C(=O)NNc3ccncc3)CC2=O)cc1	180534883	DRGSSSZIWIZSKE-HNNXBMFYSA-N	324.384	1.882	50	20	DDGD	
CC(=O)N1CC(C(=O)NNc2ccccc2OC(F)(F)F)C1	187969677	JNGRYVNMAMINOV-UHFFFAOYSA-N	317.267	1.507	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc(OC(C)(C)C)cc2)cn1	79508750	UEDSYYHNFWVUIY-UHFFFAOYSA-N	316.361	1.672	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)c1n[nH]cc1[N+](=O)[O-]	181309209	DCKIIZXXGZQACL-UHFFFAOYSA-N	312.289	1.931	50	20	DDGD	
COc1c(C)ccc(NC(=O)C(=O)NNc2ccccn2)c1C	181412513	NXMAYOFPEGVIKC-UHFFFAOYSA-N	314.345	1.789	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cc(C)ncn2)c(C)c1	130309644	YTJXQJDUGFIOHU-UHFFFAOYSA-N	313.361	1.275	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc2scnc2c1	184156531	HTXCZHSWXZGOBI-MRVPVSSYSA-N	320.374	1.428	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCC[C@H]1CN1CCCC1	187074422	DCWSLRBTQVDCDF-ZDUSSCGKSA-N	308.875	1.895	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cc(C)c(C)o2)c1O	135146395	YMLTXCDSDJBMKW-UHFFFAOYSA-N	304.302	1.685	50	20	DDGD	
COc1ccccc1CCC(=O)NNc1nc2ccccn2n1	191913550	ISOJZQBCNORDHP-UHFFFAOYSA-N	311.345	1.814	50	20	DDGD	
CCOc1ccc(CC(=O)NNc2nc3ccccn3n2)cc1	191888379	XEVVJMFFORDPFB-UHFFFAOYSA-N	311.345	1.814	50	20	DDGD	
COC(=O)NNC(=O)COc1ccc(Br)cc1F	192589511	LPHQSUXEDBDXGU-UHFFFAOYSA-N	321.102	1.354	50	20	DDGD	
Cc1nc2ccccc2c(=O)n1CC(=O)NNc1ccccc1	197067672	VZHKGJONAZPYMR-UHFFFAOYSA-N	308.341	1.848	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNC(=S)N[C@H](C)C1CC1	88280846	YWHLMNQCEYXWJX-SECBINFHSA-N	324.450	1.636	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1cc(Cl)c(N)c(Cl)c1	192305798	SOXCOYIYRNWROV-UHFFFAOYSA-N	320.180	1.290	50	20	DDGD	
CC[C@H](C)CC(=O)NNC(=O)Cc1nc2ccccc2n1C	190502290	IEQSOIXETQIPDO-NSHDSACASA-N	302.378	1.699	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNC(=O)Cc1ccccc1F	92441545	UCTZAJNSIUBVCF-UHFFFAOYSA-N	304.325	1.125	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=O)c1ccc(Cl)nc1	245202024	OTVHDMBYTSRFBP-GMTAPVOTSA-N	324.812	1.757	50	20	DDGD	
C[C@@H]1CCC[C@@H](NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)CC1	249026408	AMXBMWCDYNMAGG-BZPMIXESSA-N	317.455	1.336	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)c2ccccc2O)C1	267477401	AZZRWKMYAHDQPV-WDEREUQCSA-N	320.345	1.133	50	20	DDGD	
CO[C@]1(C)C[C@H](NC(=O)NNC(=O)c2ccccc2O)C1(C)C	266711291	HQDBFFXMJAWERE-BLLLJJGKSA-N	321.377	1.540	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2CCCN2C2CCCC2)n1	269606676	AAJMDOLUSBWREN-CYBMUJFWSA-N	319.409	1.644	50	20	DDGD	
CO[C@@H](C)CCNC(=O)NNC(=O)COc1cc(C)ccc1C	263773942	NLORKTLTWGMQAA-ZDUSSCGKSA-N	323.393	1.438	50	20	DDGD	
CN1C[C@H](C(=O)NNC(=O)OC(C)(C)C)c2ccccc2C1=O	365151966	VIWBZVKTBWKMBS-LBPRGKRZSA-N	319.361	1.412	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2	363095392	BYUNDXXDTCPJTC-CHISNJGVSA-N	310.394	1.874	50	20	DDGD	
COc1cccc(NNC(=O)[C@H](C)n2nnnc2C(C)(C)C)n1	272967169	KKAJPYRLYBQNPQ-VIFPVBQESA-N	319.369	1.079	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC(=O)c2ccccc21)NC1CCCC1	276397332	CSIUNVJTDLARCS-CYBMUJFWSA-N	301.346	1.630	50	20	DDGD	
CO[C@@H](C)CCC(=O)NNC(=O)CSc1ccccc1O	273076652	OKKVLYBOJJKRHH-JTQLQIEISA-N	312.391	1.447	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NNC(=O)N1CCN(C)CC1	365975880	AJSPNDYOYXVTKO-NWDGAFQWSA-N	322.434	1.148	50	20	DDGD	
O=C(NNc1ccccc1Br)[C@@]1(O)CCSC1	270876617	NOCNZEUMOVWKJB-LLVKDONJSA-N	317.208	1.760	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O	276005370	PMPMWSUTPHGCRA-LHNRBYRGSA-N	319.405	1.870	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCCOC(C)C)c1	273378672	YOOBHXHURCXVHX-UHFFFAOYSA-N	309.366	1.129	50	20	DDGD	
O=S(=O)(CBr)NC[C@H]1CCOc2ccccc21	272803106	LPWXTADYLWKTLC-SECBINFHSA-N	320.208	1.825	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2noc3c2CCCCC3)n1	279795832	LEPXOFZXVJUABX-UHFFFAOYSA-N	314.345	1.722	50	20	DDGD	
Cc1nnsc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C(C)(C)C	277878055	OZGGGJZZDRZBIA-WPRPVWTQSA-N	312.395	1.059	50	20	DDGD	
C[C@](O)(CC(=O)NNc1cccc(S(C)(=O)=O)c1)C1CC1	272028025	OMUMURSYRFUKME-AWEZNQCLSA-N	312.391	1.084	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC1CCN(c2nccs2)CC1	281144931	AIKQPCPRCPFMKX-ZHACJKMWSA-N	306.391	1.672	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1ccc([N+](=O)[O-])cc1	296467353	VSHRJQPLNJZCTL-LLVKDONJSA-N	308.294	1.317	50	20	DDGD	
O=C(NC[C@@H]1CCN(C2CC2)C1)NNc1cccc(Cl)n1	293122354	UYTPYPWXBOIDMZ-JTQLQIEISA-N	309.801	1.845	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNc1cccc(C(F)(F)F)n1	806904176	XOJFZEVSUGKWLD-UHFFFAOYSA-N	312.251	1.765	50	20	DDGD	
Cc1ccccc1[C@H](C)NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	297388247	NWSYAAUDFZQOFN-OBJOEFQTSA-N	305.378	1.954	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1cccc2c1CNC2=O	806753672	VGGVNQFPBKNBMD-UHFFFAOYSA-N	302.269	1.008	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCC[C@@H](C)[C@H]1C	299221301	INGLVFDWOMMJGN-UKRRQHHQSA-N	317.433	1.805	50	20	DDGD	
CCCc1nnc(SCC(=O)NNc2ccc(F)cc2)n1N	291498397	OWBIJOJVIVKZJD-UHFFFAOYSA-N	324.385	1.319	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc(-c2ccco2)nc1O	299438884	ZDIJYQILPOJKOM-UHFFFAOYSA-N	303.318	1.854	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCO1)N[C@@H]1CCC[C@H]1c1ccccc1	297107977	FQQZVKKNVUZXIX-RRFJBIMHSA-N	317.389	1.832	50	20	DDGD	
C/C=C(\CC)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O	809985422	MXIDCJMQLAQISO-QDEBKDIKSA-N	314.345	1.695	50	20	DDGD	
CC1CCC2(CC1)OC[C@@H](CNC(=O)NNc1ccncn1)O2	296822571	XMITUMYEINKNLM-MQYJIDSJSA-N	321.381	1.425	50	20	DDGD	
N[C@@H]1CCCC[C@H]1CC(=O)NNc1nc(-c2ccncc2)no1	294658942	AFMFSNDRBAJEKN-NWDGAFQWSA-N	316.365	1.482	50	20	DDGD	
CCOc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)NC(C)C	294772488	RCZKJXJQXWGHSY-UHFFFAOYSA-N	310.310	1.346	50	20	DDGD	
CSc1ccc(NNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]32)cc1	295599453	HSUMCXBWLLSEHR-ZLKJLUDKSA-N	308.403	1.903	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccccc1Oc1ccncc1	801141090	XJVCBOBIBADYGQ-UHFFFAOYSA-N	300.318	1.838	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H]1CCN(c2ccccc2F)C1	810586580	FBASRYCCYJULSA-NSHDSACASA-N	308.357	1.392	50	20	DDGD	
Cc1nnsc1C=NNC(=O)c1ccc2c(c1)OCCO2	814217474	IOBLJZRCRGHIHN-UHFFFAOYSA-N	304.331	1.382	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=C1CCN(Cc2ccccc2)C1	814999958	CUMWSQGQHBVBJC-UHFFFAOYSA-N	309.373	1.887	50	20	DDGD	
CCn1nc(C)c(CNC(=O)/C(C#N)=C\c2ccc(F)cc2)n1	819592996	GZFWDCACSOCNDH-JYRVWZFOSA-N	313.336	1.969	50	20	DDGD	
COCC(=NNC(=O)Cc1cc[nH]n1)c1cccc(Cl)c1	814956968	IXKMGSGHOUECFZ-UHFFFAOYSA-N	306.753	1.773	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2cnnn2C)cc1C	812717369	ZNSZQCXQDACHGN-UHFFFAOYSA-N	303.322	1.057	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)[C@H](C)CN1CCC(C)CC1	811635405	WRGNLXULCUMMOG-UKRRQHHQSA-N	322.453	1.515	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)c1ccnnc1)CCCO2	817343592	PPLAAPBWDIJNHY-UHFFFAOYSA-N	312.329	1.792	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nn1	727743596	DAQRRLIERZKPDO-JLHYYAGUSA-N	311.345	1.327	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1	729273435	QJTRPXMLTOGGIF-UHFFFAOYSA-N	302.290	1.943	50	20	DDGD	
COc1ccc(C=NNC(=O)CN(C)C)cc1Br	727649072	CGWCUOPHKXEIBM-UHFFFAOYSA-N	314.183	1.469	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N(C)Cc1ccc(C#N)cc1	827314619	HMOVCYKYYZLKRF-BXUZGUMPSA-N	316.361	1.156	50	20	DDGD	
CCCC[C@](C)(F)C(=O)NNC(=O)Cc1cn2ccccc2n1	829506310	ZKIGPDVUEIERKB-INIZCTEOSA-N	320.368	1.943	50	20	DDGD	
Cc1noc(C2CC2)c1NC(=O)NNC(=O)c1cccc(F)n1	822584357	FZCBBMJYDODPLM-UHFFFAOYSA-N	319.296	1.861	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC(O)(Cc2ccncc2)CC1	491052106	UQRGPQIAZNCXRF-FYWRMAATSA-N	315.373	1.422	50	20	DDGD	
COC(=O)N(C)c1ccc(NC(=O)NNc2ncccn2)cc1	496213703	QBLBEGJEGGTZLA-UHFFFAOYSA-N	316.321	1.828	50	20	DDGD	
Cc1nn(CC(F)F)cc1C(=O)NNc1ncc(F)cc1F	822242900	BZCFOWKTLIZKTO-UHFFFAOYSA-N	317.246	1.887	50	20	DDGD	
CSC[C@@H]1CCCN(C(=O)/C(C#N)=C\c2cnn(C)c2)C1	491127160	AKUJRNYVNUAUKO-KXQKXUNCSA-N	304.419	1.929	50	20	DDGD	
CCOC(=O)NNC(=O)CCC(=O)c1ccc2c(c1)OCCO2	495311901	JREJEDFFXVAEBX-UHFFFAOYSA-N	322.317	1.198	50	20	DDGD	
N#Cc1cccc(C(=O)NN=Cc2cc3c(cc2O)OCO3)c1	728781288	QBOLRDYQZUIGHG-UHFFFAOYSA-N	309.281	1.756	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CC(F)(F)F)c1	726472041	YRCCWRJWFSWNQX-UHFFFAOYSA-N	301.293	1.938	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)cc1F)[C@H](C)c1ccccc1	585025815	DHVMGAMKSHGHFJ-STQMWFEESA-N	301.170	1.787	50	20	DDGD	
CC(C)(C)[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)C(F)(F)F	584956371	WRGPMWNZRCZPAH-LLVKDONJSA-N	321.079	1.212	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CC=CC[C@H]2C(F)(F)F)c(F)c1	585049025	ADCYTHGUAFAXRA-YPMHNXCESA-N	317.091	1.492	50	20	DDGD	
CC(C)(C)OC(=O)N(CC(=O)NNC(=O)C1CCC1)C1CC1	493957769	ZNPMBMJQWRRAGD-UHFFFAOYSA-N	311.382	1.333	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(N(CC)C(C)=O)nc1	824587336	UHFSYQARTGWHAV-SNVBAGLBSA-N	321.381	1.653	50	20	DDGD	
O=C(Cc1cccs1)NNc1cccc(-c2nn[nH]n2)c1	826423695	BJMQNCCLYGFRHT-UHFFFAOYSA-N	300.347	1.614	50	20	DDGD	
CCOC(=O)C1(CC(=O)NNC(=O)OC(C)(C)C)CCC1	492787576	DEMFWQGASZPGHF-UHFFFAOYSA-N	300.355	1.666	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1	823983290	PXHHUEWCZBNKPZ-QMMMGPOBSA-N	309.347	1.767	50	20	DDGD	
CC[C@H](NC(=O)c1cccc(B(O)O)c1)[C@@H](C)c1ccccc1	584956802	IDODIGFTKSDWGB-GUYCJALGSA-N	311.190	1.679	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(Cl)c(N)c1Cl	822800449	YWXXNGMOTCFPQW-UHFFFAOYSA-N	305.165	1.930	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@H]2CCS[C@@H]2C)c1	825551184	FNFLLVSUSUKTCB-YPMHNXCESA-N	323.418	1.598	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)c1	905104333	RXSKBCCXUXVVSR-HFBAOOFYSA-N	316.357	1.055	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1nsc2ccccc12	908517596	NHCVRTGBASONCF-JTQLQIEISA-N	305.359	1.626	50	20	DDGD	
O=C(NNc1cccc(Br)n1)[C@@H]1C[C@H]2CC[C@@H]1O2	837692203	ISYSBFREXBXFAE-HLTSFMKQSA-N	312.167	1.855	50	20	DDGD	
CCS[C@@H]1CCC[C@@H](NCc2ccc(B(O)O)cc2F)C1	585031132	RMZBXXGGUGVFKS-ZIAGYGMSSA-N	311.231	1.659	50	20	DDGD	
O=C(O)[C@@H]1C[C@H]1C(=O)NNc1ccc(Br)nc1	739546432	IJENTPFFVYPOCG-RNFRBKRXSA-N	300.112	1.008	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)NC(CF)CF	836530577	YTHHJFQUWVBQAX-UHFFFAOYSA-N	315.364	1.841	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CCNC(=O)O)cc1C	738628330	OYLYKLHUFWZHRF-UHFFFAOYSA-N	310.379	1.279	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)/C=C/[C@@H]2CCOC2)cc1	493558937	QAQPZMKKIZJQTR-WXJAXGNASA-N	304.346	1.114	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)NC2CCCCC2)C[C@@H]1Br	905103238	GBOCPJKNYGYSKU-JOYOIKCWSA-N	318.215	1.823	50	20	DDGD	
CCC[C@@H](NC(=O)c1ccc(B(O)O)cc1)c1cccs1	584934497	POUAAHDNJUHPOO-CYBMUJFWSA-N	303.192	1.699	50	20	DDGD	
CC(=O)N1CCC(C(=O)NNc2ccccc2C(=O)O)CC1	833393025	NPFFHDCTWQJTQV-UHFFFAOYSA-N	305.334	1.086	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1ccc(F)cc1C	731314938	YCZQIRPCWYOTJX-ZDUSSCGKSA-N	321.396	1.943	50	20	DDGD	
C[C@@H](CNCc1ccccc1B(O)O)Oc1cccc(F)c1	585027066	OCGYNTZELYNYNB-LBPRGKRZSA-N	303.142	1.063	50	20	DDGD	
C[C@@H]1CN(c2ccccc2C=NNC(=O)c2ncon2)CCO1	901287012	ZUKUYRKGRVCGRK-LLVKDONJSA-N	315.333	1.059	50	20	DDGD	
Cc1cc(C(=O)NN=C[C@](C)(CN(C)C)c2ccccc2)n[nH]1	834964437	UOYMWJDBSBQMLC-QGZVFWFLSA-N	313.405	1.953	50	20	DDGD	
CCCOc1c(CN2CC[C@H](B(O)O)C2)cccc1OCC	585076729	NWDMNSOKUDAORA-AWEZNQCLSA-N	307.199	1.923	50	20	DDGD	
CCCCC[C@@H](O)C(=O)NNc1cccc(C(=O)OC)c1F	837061793	OKGYSDBQQOGNFO-GFCCVEGCSA-N	312.341	1.997	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)N[C@H]1CCCN(C(=O)O)C1	831742842	SLIFMVYJMIENOU-VIFPVBQESA-N	313.745	1.504	50	20	DDGD	
OB(O)c1ccc(CNCC2(c3ccc(F)cc3Cl)CC2)o1	585035392	SWWWGRQWFBAFQU-UHFFFAOYSA-N	323.560	1.573	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@H]1CCCN(CCc2ccccc2)C1	831868206	SBOXOGPQOLWKEU-KRWDZBQOSA-N	324.428	1.901	50	20	DDGD	
CO[C@](C)(C1CC1)[C@@H](C)N[C@H](C)C(=O)NNC(=O)CC(C)C	839639081	LROHVFQPGBKNEZ-HSMVNMDESA-N	313.442	1.362	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)CCCNC(=O)O)cc1	736298044	ZWHAYNZQTXHULA-UHFFFAOYSA-N	321.377	1.793	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NNc2ccnc(F)c2)C1	831917668	IZUAQHVDSUVOGA-HOMQSWHASA-N	324.356	1.967	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)COc2cccc(C)c2)n1	834922586	JCOFJHBVQJASRN-UHFFFAOYSA-N	301.350	1.444	50	20	DDGD	
CO[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc(C)o2)C12CCC2	838770466	XBXJOCGRXHSJOK-NWDGAFQWSA-N	307.350	1.490	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H]2CCO[C@H](C)C2)ccc1F	837035711	GKPPGZBKNKRVMN-ZJUUUORDSA-N	310.325	1.871	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1ccc([S@@](C)=O)cc1	746372100	KAGMZOUORSHGIP-OAQYLSRUSA-N	304.375	1.312	50	20	DDGD	
C[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)c2ccc(F)cc2O1	744404533	ATUWAHCLBAYJAT-JTQLQIEISA-N	323.368	1.607	50	20	DDGD	
CN1CCN(c2cccc(Cl)c2C=NNC(=O)N(C)C)CC1	745602893	ZWTYWZKZGAWHPY-UHFFFAOYSA-N	323.828	1.697	50	20	DDGD	
CCC[C@@H]1CCC[C@H]1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	832894525	QIBUZGVUWBBOBR-HZSPNIEDSA-N	316.467	1.695	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(Cl)c2c(c1)OCCCO2	910178565	ZQRQUNMTIWTVHL-SECBINFHSA-N	314.769	1.459	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccccn2)ccc1-n1cncn1	742032056	XZLGZUGHTZLBAF-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccccc1N(C)C(=O)C1CC1	918256155	CEPZSHXNDGWQPE-UHFFFAOYSA-N	317.389	1.867	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)/C=C/c1ccc2c(c1)OCO2	843637003	ABDNUSVHWSOFMC-ZIAVJRNFSA-N	318.329	1.001	50	20	DDGD	
CCCOc1cccc(CC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	843663913	ZKYYXSHUXJSCAP-SWLSCSKDSA-N	320.389	1.590	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(Cl)ncc1Cl	843655723	KXDOJVNXBIJCGY-BQBZGAKWSA-N	318.160	1.574	50	20	DDGD	
COc1ccc(CCC(=O)NN=C[C@H](OC)[C@@H]2CCOC2)cc1	841620874	LZIHEWTVYMIPFK-ZBFHGGJFSA-N	320.389	1.781	50	20	DDGD	
COc1ccc(NNC(=O)Cc2c(C)nc(C)nc2O)cc1	746887519	UFKJCGOTGHSQJQ-UHFFFAOYSA-N	302.334	1.493	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)C(C)(C)CO)cc2C1	847291537	RRKJBHOKLCHKLM-SECBINFHSA-N	310.419	1.652	50	20	DDGD	
CSCC1(CC(=O)NNc2ccc(-n3ccnc3)nn2)CC1	846141001	CKDNPVBILHWLKT-UHFFFAOYSA-N	318.406	1.639	50	20	DDGD	
C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)NNC(=O)c1ccccn1	747348463	LMGMMMKPGOAONQ-YVEFUNNKSA-N	313.357	1.397	50	20	DDGD	
CN(C)[C@@H](C(=O)NNC(=O)CC1CC1)c1ccc(Cl)cc1	848144590	XOLVJTBRBYVFOW-CQSZACIVSA-N	309.797	1.890	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cn1	747750232	LVAZGOWYJDIRLF-UHFFFAOYSA-N	312.289	1.574	50	20	DDGD	
CC(C)N1C(=O)C(=NNC(=O)[C@H]2CCO[C@@H]2C)c2ccccc21	842557367	VBZRBHLVGBIZRW-NEPJUHHUSA-N	315.373	1.687	50	20	DDGD	
CC1(C)CC(C(=O)NNC(=O)CN2CCCC2=O)CC(C)(C)C1	913733229	ALIRQQVRYOUOGC-UHFFFAOYSA-N	323.437	1.609	50	20	DDGD	
CCCSCC(=O)NNC(=O)c1nnc(O)c2ccccc12	916741360	ZMUDJJOIRISHFN-UHFFFAOYSA-N	320.374	1.240	50	20	DDGD	
O=C(Cc1ccncc1)NN=C1C(=O)Nc2cccc(Cl)c21	747646137	OKCNFZQAHBQPHJ-UHFFFAOYSA-N	314.732	1.750	50	20	DDGD	
CCC[C@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	744771493	BOOQKQSCXNLEHE-LBPRGKRZSA-N	306.362	1.735	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)c1ccnc(F)c1	748696217	GEMAIRCFLNUYFF-UHFFFAOYSA-N	307.256	1.200	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2ccc(OC)o2)nc1C	847672281	PBNFHRQGQUHSPA-UHFFFAOYSA-N	320.305	1.320	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1	841605541	XGIBKWGEECKSKB-YPMHNXCESA-N	307.306	1.362	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2c(C(C)C)nn(C)c2Cl)n[nH]1	915958820	YGBCWXCFQGTTGH-UHFFFAOYSA-N	322.800	1.921	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)[C@@]1(O)CCOC1	840400934	ANWRKFKYVYJYMO-GFCCVEGCSA-N	315.167	1.352	50	20	DDGD	
COc1ccnc(NNC(=O)NCCCOCC(F)(F)F)n1	916459028	SDPPLRTTWRYPAO-UHFFFAOYSA-N	323.275	1.080	50	20	DDGD	
C=Cc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	842590908	SRECDIVAZQSALZ-MFKMUULPSA-N	310.375	1.064	50	20	DDGD	
C[C@H](CC(=O)NNc1ncc(F)cn1)N1CCc2ccccc21	847620468	LRZGBJYMHROMFR-LLVKDONJSA-N	315.352	1.900	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2CCO[C@H](C(C)C)C2)n1	929309086	PSMZOGAAFDQJJW-KBPBESRZSA-N	322.409	1.099	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H]2CCCN2C(=O)C2CC2)n1	843910641	XQTLRVJCIMGHDV-JTQLQIEISA-N	323.784	1.283	50	20	DDGD	
CCn1ccnc1C=NNC(=O)COc1ccc(OC)cc1	755505230	OLSYKMMAPMSLAY-UHFFFAOYSA-N	302.334	1.441	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCS[C@@H]2CCCC[C@@H]21	752358306	AYLKKDQGWXMOCJ-NWDGAFQWSA-N	313.467	1.540	50	20	DDGD	
CCc1ccc(CC(=O)NNC(=S)N[C@@H](C)C2CC2)nc1	855094996	HKIGWSFWVGJRBS-JTQLQIEISA-N	306.435	1.480	50	20	DDGD	
CC(=O)NNC(=O)c1ccc(Br)cc1[N+](=O)[O-]	751058509	CCOILLVMDGDHCQ-UHFFFAOYSA-N	302.084	1.138	50	20	DDGD	
CCOc1cnc(C(=O)NC[C@]2(C)C[C@H]2Br)cn1	857390165	BXSQEGLDQIXCMU-SKDRFNHKSA-N	314.183	1.779	50	20	DDGD	
Cc1csc(CC(=O)NNC(=S)NCC(F)(F)F)n1	750987455	PXFTZOOFPLPHOF-UHFFFAOYSA-N	312.342	1.052	50	20	DDGD	
C[C@@]1(CCC(=O)NNc2cc(F)c(F)c(F)c2)CCC(=O)N1	753417406	CIGVBPIOPUKIKI-AWEZNQCLSA-N	315.295	1.996	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1c(F)ccc(F)c1Cl	857295672	QVYCQEIYOIYSGG-BQBZGAKWSA-N	318.707	1.804	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1noc2c1COCC2	857865737	PJLAMSLNIKROAG-UHFFFAOYSA-N	303.322	1.418	50	20	DDGD	
CN(C[C@@H]1CCCN1C)C(=O)NC[C@@]1(C)C[C@@H]1Br	856894694	WKHYHZXJBYFGQJ-GMXVVIOVSA-N	318.259	1.896	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)NOC[C@H]1CCOC1	854016824	SOTUSSGZZROMCS-QMMMGPOBSA-N	314.273	1.328	50	20	DDGD	
CCN(CC)C[C@@H](C)NC(=O)NNc1cncc(Cl)n1	921118054	HXTKYUIYELRAKM-SECBINFHSA-N	300.794	1.486	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@](C)(O)CC)cc1	929294857	FUWLQTVKLMOLND-BDJLRTHQSA-N	324.377	1.161	50	20	DDGD	
CSCCC=NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	755746448	WFJMPRLBOAKUOX-UHFFFAOYSA-N	315.420	1.951	50	20	DDGD	
CCC/C(C)=C/C(=O)NNC(=O)c1nnc(O)c2ccccc12	920285856	WECKKWSSPMPCRL-MDZDMXLPSA-N	314.345	1.843	50	20	DDGD	
C#CCOc1ccc(NC(=O)NNC(=O)c2ccccn2)cc1	756480737	ZBDCUHQVYBLVRR-UHFFFAOYSA-N	310.313	1.560	50	20	DDGD	
CCC[C@@H]1CCCC[C@@H]1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1	858525537	YQFSVYUBAJNUGL-UPJWGTAASA-N	324.425	1.202	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@@]2(O)CCSC2)C[C@H]1Br	856956858	VZQFKMPVXTZRGA-IEBDPFPHSA-N	323.256	1.327	50	20	DDGD	
C=CCCOCC(=O)NNC(=S)Nc1ccc(OCC)cc1	920437016	OONYKRRECYNKPY-UHFFFAOYSA-N	323.418	1.996	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H](O)Cc2ccccc2)C[C@@H]1Br	857733463	LBXURIXXRLLELP-SGMGOOAPSA-N	312.207	1.880	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CC23CCNCC3)C[C@@H]1Br	857007364	JQYCCWMFPFOPSS-JBLDHEPKSA-N	301.228	1.666	50	20	DDGD	
Cc1ccc(C(C)(C)NCC(=O)NNC(=O)C(C)(C)C)cn1	759911574	QEYPNZLPPXAVKF-UHFFFAOYSA-N	306.410	1.408	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)c2cc[nH]c2C)cc1	750530337	ROEBBKHKGLGGGO-UHFFFAOYSA-N	315.329	1.250	50	20	DDGD	
Cc1nn(-c2ccccc2)cc1C=NNC(=O)C(=O)NC(C)C	755609724	CYUKCOWKLMKMIZ-UHFFFAOYSA-N	313.361	1.155	50	20	DDGD	
CON1CCC(NC(=O)NNC(=O)c2cc(C)cs2)CC1	858549656	YCHUTJZIVNZWKQ-UHFFFAOYSA-N	312.395	1.026	50	20	DDGD	
CCO[C@@H](C(=O)NNc1nc(-c2cccnc2)no1)C1CC1	859315266	JDOCQZMDSDHOJO-LLVKDONJSA-N	303.322	1.390	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCC(=O)N1CCCCC1	750664650	VWPFPIQOCGWZAS-UVTDQMKNSA-N	314.341	1.855	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2ccc3c(c2)OCO3)CN1C1CC1	753954625	FDBYMJVWBIFQEA-JTQLQIEISA-N	301.346	1.758	50	20	DDGD	
C[C@H](c1ccccc1F)[C@H](O)C(=O)NNC(=O)NC1CCCC1	865038037	HSRNJBJQXHSRAP-YGRLFVJLSA-N	323.368	1.563	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCSCC(F)(F)F	769733219	UECIHGKJKVFYNP-UHFFFAOYSA-N	301.334	1.658	50	20	DDGD	
COc1cccc2cc(C=NNC(=O)[C@H]3CCC(=O)N3)oc12	863146989	WJXJSXNOHKIBKC-LLVKDONJSA-N	301.302	1.170	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccnn2CC2CCC2)c1	865164562	IWBFXWSXWWLUAD-UHFFFAOYSA-N	323.356	1.630	50	20	DDGD	
C[C@H]1C[C@@H]1C(=O)NCCSSCCNC(=O)[C@H]1C[C@H]1C	862276707	ARADBVJQCUQWPC-USZNOCQGSA-N	316.492	1.912	50	20	DDGD	
O=C1CSC[C@@H](C(=O)NNc2cc(Cl)ccc2Cl)N1	935022213	CGHMHHNAXFBSLQ-VIFPVBQESA-N	320.201	1.668	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC(=NNC(=O)c2cn[nH]c2)C1(C)C	863153906	HGXATKDHDXNRQU-UHFFFAOYSA-N	321.381	1.915	50	20	DDGD	
Cc1csc(CCC(=O)NNC(=O)NCc2ccco2)n1	767724550	YDJAXIJKUGDXFS-UHFFFAOYSA-N	308.363	1.508	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)/C=C\c1ccc(C=O)cc1	869067481	BARNIFQRXZQHBK-ZEWCDIPDSA-N	302.330	1.085	50	20	DDGD	
CO[C@@]1(CNC(=O)NNc2c(F)cccc2F)CCOC1	764802470	CREMCMPEQSPHQW-CYBMUJFWSA-N	301.293	1.396	50	20	DDGD	
CCC(Cc1ccc(OC)c(OC)c1)=NNC(=O)CN(C)C	763362808	LSOVSMIEBMSIAY-UHFFFAOYSA-N	307.394	1.690	50	20	DDGD	
Cc1ccc(OC(F)F)c(C=NNC(=O)[C@@H]2CCC(=O)N2)c1	863149082	QOUNWUQCQXIYNE-JTQLQIEISA-N	311.288	1.325	50	20	DDGD	
C[C@H](CC(=O)NNc1nccc(N2CCOCC2)n1)C1CC1	762868190	MTXUYMHITMTCMT-LLVKDONJSA-N	305.382	1.193	50	20	DDGD	
O=C(CSCC(F)(F)F)NNC(=O)c1ccccc1F	761195714	RWVCFEYQWJMCJW-UHFFFAOYSA-N	310.272	1.882	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2ccccc2O)c(C)c1	861330802	HSWIOPMMNRGAPH-UHFFFAOYSA-N	314.341	1.849	50	20	DDGD	
O=C1C[C@H](NS(=O)(=O)c2ccc(CCCCl)cc2)CO1	867285741	IKJGSRVYVWXBOL-NSHDSACASA-N	317.794	1.452	50	20	DDGD	
O=C(NNC1=N[C@H]2C=C[C@H]1C2)c1cc(-c2ccc(F)cc2)[nH]n1	764808665	CAZYXAGCGRZXKH-JQWIXIFHSA-N	311.320	1.807	50	20	DDGD	
C[C@H](C(=O)NNc1cc(Cl)ccc1F)[C@@H](C)S(C)(=O)=O	871271506	QFRLLKASUGNBFW-JGVFFNPUSA-N	322.789	1.991	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C2(O)CCOCC2)cc1C	873763064	MQSFGTGFEWTFHA-UHFFFAOYSA-N	323.418	1.163	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H]2CCC(=O)NC2)c1	873755207	VYRCPAILOGPVOU-NSHDSACASA-N	320.418	1.147	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C(C)CCn1cccn1	776758980	UWEVBQJMYKLGQV-UHFFFAOYSA-N	315.377	1.886	50	20	DDGD	
N#Cc1cccc(NNC(=O)NC[C@H]2COC3(CCCC3)O2)c1	774313665	QYUJOHRQGAMKNV-AWEZNQCLSA-N	316.361	1.870	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN[C@H](C)c2ccccn2)cc1	776229872	DUMUOMPWPSHIFG-CYBMUJFWSA-N	312.373	1.502	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NNC(=O)COc2ccc(C#N)cc2)C1	776339567	USIGRHFOFSTAAE-YPMHNXCESA-N	301.346	1.521	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H](C)OC[C@@H]1CCCO1	772894370	WRBZXYRZEQJWDV-RYUDHWBXSA-N	308.382	1.627	50	20	DDGD	
COCc1ccccc1S(=O)(=O)NNC(=O)c1ccccc1	778556318	JYYVOVPQEPXRGH-UHFFFAOYSA-N	320.370	1.456	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C	875305663	VIUZRNDCUAATSN-MNOVXSKESA-N	301.387	1.740	50	20	DDGD	
COc1cccc(C)c1NC(=O)C(=O)NNc1cccc(C#N)c1	773577399	LGIIHGNZXHHIQY-UHFFFAOYSA-N	324.340	1.957	50	20	DDGD	
C[C@]1(CNC(=O)c2cnc(C(=O)O)cn2)C[C@H]1Br	1118753924	DZPXPJCFFJVDQN-LDYMZIIASA-N	314.139	1.078	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=S)Nc1cccc(Cl)c1)C1CC1	873785647	AXRAXEGMWYVKSL-ZDUSSCGKSA-N	313.810	1.819	50	20	DDGD	
CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NNc2ccc(F)cc2)O1	775459644	FHWVIQSIYRRASH-CHWSQXEVSA-N	324.356	1.088	50	20	DDGD	
Cn1cnc(-c2ccc(NC(=O)NNC(=O)C3CCC3)cc2)n1	771778279	OEFNJOKVRUVSDU-UHFFFAOYSA-N	314.349	1.435	50	20	DDGD	
CC(C)Oc1ccc([C@H](C)NCC(=O)NNC(=O)C2CC2)cc1	774899116	FJUBMTKBXAGNNM-LBPRGKRZSA-N	319.405	1.682	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)cc1)c1cnn(C)c1C	778539951	IFVZBFOKVBGCQT-UHFFFAOYSA-N	313.361	1.516	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc2ccccc2c1O	883059800	LZPOAWBPFKREGN-UHFFFAOYSA-N	314.341	1.733	50	20	DDGD	
Cc1ccc(C2=NO[C@H](C(=O)NNC(=O)C3CCCC3)C2)cc1	888138368	PALLTNZGOBOONG-HNNXBMFYSA-N	315.373	1.826	50	20	DDGD	
C[C@@H](CBr)COC(=O)[C@@H](C)N1C(=O)CCC1=O	770345037	NKMVNSRTXLMCFS-JGVFFNPUSA-N	306.156	1.098	50	20	DDGD	
COC(=O)c1cc(C(=O)OC[C@H](C)CBr)on1	770415262	MJBVUINNBRJVOJ-ZCFIWIBFSA-N	306.112	1.649	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)N[C@H](c1ccccc1)C1CC1	883089800	UGXQGCQFMFROLC-CQSZACIVSA-N	311.345	1.572	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)NOCc1ccc(F)cc1	883568346	AHXMLYNXBJJZSL-UHFFFAOYSA-N	311.313	1.014	50	20	DDGD	
O=C(NNc1ccc(F)cc1Cl)C1(C(=O)NC2CC2)CC1	885135591	GUHSTVCFFUITCK-UHFFFAOYSA-N	311.744	1.981	50	20	DDGD	
C[C@H](N1CCN(S(=O)(=O)CCCCl)CC1)C(F)(F)F	881966538	DYVVQMWVXSPGRE-VIFPVBQESA-N	322.780	1.514	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2ccco2)c(O)c1O	780907953	NEEDAFBIECUMFS-UHFFFAOYSA-N	305.290	1.143	50	20	DDGD	
O=[N+]([O-])c1ccc(OS(=O)(=O)CBr)c(F)c1	782417890	KQYFBRJMDBBLRO-UHFFFAOYSA-N	314.088	1.795	50	20	DDGD	
COc1ccc(NNC(=O)[C@]2(C)CCCOC2)c([N+](=O)[O-])c1	781351176	ODNCLPBUWNGKFH-CQSZACIVSA-N	309.322	1.863	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H](F)C(C)C)cc1	784309876	IXCAZRHCMHURLY-ZDUSSCGKSA-N	310.325	1.293	50	20	DDGD	
CCn1nc(C)c(CNC(=O)NNc2ccc(OC)cn2)c1C	780986897	GPTIUZMGRYMAOF-UHFFFAOYSA-N	318.381	1.750	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	785408739	VNQICLYHZXRVSW-HXFLIBJXSA-N	309.288	1.081	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1c[nH]nc1-c1ccncc1	899996235	HKZSFRSDLQWQNG-UHFFFAOYSA-N	318.406	1.379	50	20	DDGD	
COC(=O)c1ccc(/C=C(/C#N)C(=O)[C@@H]2CCCOC2)nc1	899345811	VOWALIFZZHVPFY-BFTHVDOESA-N	300.314	1.771	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1cnc(C2CC2)o1	899948112	DMTNBGGWNHLUDH-UHFFFAOYSA-N	319.292	1.531	50	20	DDGD	
COC(=O)CCC(=O)COC(=O)/C(C#N)=C/c1ccccc1	785365915	JTNVDMUKOUNYRU-UKTHLTGXSA-N	301.298	1.659	50	20	DDGD	
O=C(CNC(=O)c1cccc(F)c1)NNc1ncncc1Cl	781831279	CJQZMWUWZLIODK-UHFFFAOYSA-N	323.715	1.142	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)Cc1ccc(Cl)cn1	899997006	BZDDVIALIWSMBZ-UHFFFAOYSA-N	300.815	1.571	50	20	DDGD	
CCS[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)NNC(=O)CC(C)C	794605844	SOIQJRQRQBDQRH-YNEHKIRRSA-N	315.483	1.832	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41)c1cccnc1	792772223	GQCUAXQNGYJKPK-WBTLJEKMSA-N	309.369	1.237	50	20	DDGD	
C[C@H]1CS(=O)(=O)CCN1C[C@@H](CBr)C1CC1	701838426	PRHOIPVTKRIHAU-GXSJLCMTSA-N	310.257	1.526	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2ccnc(C)c2)c1	790494846	MXKXWGWBTOUWBU-UHFFFAOYSA-N	314.345	1.272	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)c1ccc(OC)c(OC)c1	792789094	GMVNFPNMFKVEEU-YGRLFVJLSA-N	324.377	1.526	50	20	DDGD	
CN([C@@H]1CCC[C@H]1O)S(=O)(=O)c1ccc(CCl)cc1	709291845	QKOGQVIIBYZGII-CHWSQXEVSA-N	303.811	1.959	50	20	DDGD	
COc1cccc(NNC(=O)c2cccc([N+](=O)[O-])c2OC)n1	793792469	YQSSYWVZRLKMDZ-UHFFFAOYSA-N	318.289	1.764	50	20	DDGD	
O=C(NN=Cc1ccc2c(c1)CCCC2)[C@@H]1CCS(=O)(=O)C1	792958516	JRBRQTNHNSNHRL-OAHLLOKOSA-N	320.414	1.450	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2c(F)ccc(O)c2F)n1	794481475	OQXHSUVCTXNAEN-UHFFFAOYSA-N	308.288	1.634	50	20	DDGD	
O=C(Cc1ccc2c[nH]nc2c1)NNC(=O)NCc1ccco1	793206908	LBWMBACLYYIBRJ-UHFFFAOYSA-N	313.317	1.229	50	20	DDGD	
N#CCC1(CNC(=O)NNC(=O)c2cc3c(s2)CCC3)CC1	797564509	RNULFASCRIZHDA-UHFFFAOYSA-N	318.402	1.875	50	20	DDGD	
O=S(=O)(CBr)N1CCC[C@H]1c1ccccn1	782422376	RRPDTGOEQZGXFH-JTQLQIEISA-N	305.197	1.901	50	20	DDGD	
CCn1c(NNC(=O)CNC(C)(C)C)nc2ccccc2c1=O	1318125011	KJKSCTUXSTZQMV-UHFFFAOYSA-N	317.393	1.248	50	20	DDGD	
O=C(CSCc1cccs1)NNC(=O)c1ccncc1	1317706277	AGBSIIXPTOLUPZ-UHFFFAOYSA-N	307.400	1.838	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H](C(=O)OC(C)(C)C)C(C)C	1326335430	ZQMKPLQODQAHPF-SNVBAGLBSA-N	317.455	1.504	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1scnc1C1CC1	1325239849	JDKKRHKGQAJNIK-UHFFFAOYSA-N	303.347	1.497	50	20	DDGD	
C[C@H]1SCC[C@H]1NC(=O)NNc1nncc(N)c1Cl	1328161442	QTLRKPJPKHLHTI-IYSWYEEDSA-N	302.791	1.232	50	20	DDGD	
Cn1ccc(NNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)n1	1320978387	JSFOFGJJNWQVQW-UHFFFAOYSA-N	312.289	1.633	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccccn1)c1ccc(F)c(F)c1	1252121262	GDCXXWATMKIAAX-VIFPVBQESA-N	305.284	1.925	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)[C@H]2CC(c3cnn(C)c3)=NO2)c1	1335832732	QYAQDBIYRNXXAA-OAHLLOKOSA-N	313.361	1.673	50	20	DDGD	
Cc1ccc(NC(=O)N(C)C)c(C(=O)NN(C)C[C@@H](C)O)c1	1332147828	IPKWYGGMMSJNHW-LLVKDONJSA-N	308.382	1.046	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1cnn(Cc2cccnc2)c1	1254729794	MIVAPTMMUURUJG-UHFFFAOYSA-N	314.349	1.279	50	20	DDGD	
CCn1nc(C(C)C)cc1C(=O)NNC(=O)NC1CCCC1	1337929508	OFNQSRQTOXTDKG-UHFFFAOYSA-N	307.398	1.913	50	20	DDGD	
CO[C@@]1(C(=O)NNc2nc(O)c3ccccc3n2)CCSC1	1332757358	PFMVLFDZQNELPE-AWEZNQCLSA-N	320.374	1.301	50	20	DDGD	
C[C@H]1CCCN1CCNC(=O)NNC(=O)c1ccccc1Cl	1262376743	AWXZACWXWZOBGK-NSHDSACASA-N	324.812	1.768	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(-c2c(F)cccc2F)no1	1347685803	WBHBYXLJVWIADF-MRVPVSSYSA-N	311.288	1.577	50	20	DDGD	
C=CCOC[C@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)C(=O)O	1609432270	LGVJPLUNVZSSPZ-UNJUUPHPSA-N	318.304	1.505	50	20	DDGD	
Cn1cc(CCCNC(=O)NNc2cccc(C(=O)O)c2)cn1	1600950543	YHCQAIPSTSVNAG-UHFFFAOYSA-N	317.349	1.377	50	20	DDGD	
Cn1ncc(C(=O)NNc2cccc(F)c2C(=O)O)c1Cl	1601020929	LEODUGWQDXENMA-UHFFFAOYSA-N	312.688	1.668	50	20	DDGD	
O=C(NCc1ccccc1)NNC(=O)[C@@H](C(=O)O)C1CCCC1	1605806938	RCZKKTOXVKXZTG-ZDUSSCGKSA-N	319.361	1.408	50	20	DDGD	
C/C=C\COC(=O)/C(C#N)=C\c1cc(-c2nn[nH]n2)n(C)c1C	1603965179	URSLIHNIQJSXLJ-QAWFIIPJSA-N	312.333	1.540	50	20	DDGD	
N#Cc1cc(NC(=O)NNc2cccc(C(=O)O)c2F)ccn1	1601090444	BGHBXMUFSFZHDS-UHFFFAOYSA-N	315.264	1.939	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)[C@H]1CCCC[C@H]1C(=O)O	1601562027	OKSAOYWWQBYSHC-WDEREUQCSA-N	314.345	1.964	50	20	DDGD	
Cn1c(NNC(=O)c2ccoc2CC(=O)O)nc2ccccc21	1608091371	JJFNCCSWAHBBQM-UHFFFAOYSA-N	314.301	1.550	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)cc(C)c1C=NNC(=O)CC(C)C	1605514749	DYYGOHYSOSMHOX-UHFFFAOYSA-N	300.366	1.980	50	20	DDGD	
Cc1nnc(O)c(C(=O)NNc2cccc(C(=O)O)c2)c1C	1610548891	YXTBCYXSNBMJEU-UHFFFAOYSA-N	302.290	1.254	50	20	DDGD	
CC(=O)NC[C@@H]1CCN(C(=O)[C@H](F)Cl)[C@@H]1c1cccnc1	1806712529	SGSXKUOXKXYALV-XQQFMLRXSA-N	313.760	1.642	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@@H]1C(=O)NN=Cc1ccc[nH]1	1549317722	VZSGUJZEISWUOA-JSGCOSHPSA-N	301.350	1.366	50	20	DDGD	
C[C@@H]1COCCC1=NNC(=O)[C@H]1CCCO[C@H]1c1nccn1C	1549309902	KPFKXDCOQQFGRR-MBNYWOFBSA-N	320.393	1.416	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C12CC(C1)C2)[C@@H](F)Cl	1803371803	VYKJKVBHYATARJ-ATJFVBSUSA-N	314.788	1.959	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1cccc(Br)n1)[C@@H](C)N	1575408008	JIOOSSOLRFESQY-LDYMZIIASA-N	315.215	1.907	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)C1(F)CCNCC1	1580737425	QCPIKMCRJXHGRS-UHFFFAOYSA-N	307.251	1.030	50	20	DDGD	
O=C(NNc1ccc(-c2ccccc2)nn1)[C@@H](F)[C@H]1CCNC1	1580737545	SSKHVCVZEAYOAB-WFASDCNBSA-N	315.352	1.534	50	20	DDGD	
C[C@@]1(C(=O)NNc2cccc(-c3nn[nH]n3)c2)C[C@H]2CC[C@H]1O2	1590068251	FBEBTQRLBPFXHH-LALPHHSUSA-N	314.349	1.267	50	20	DDGD	
O=C(NN=C1CCCSC1)c1cccc(-c2nn[nH]n2)c1	1593155555	PQUFUBIVHBSJDG-UHFFFAOYSA-N	302.363	1.480	50	20	DDGD	
COc1cc(CC(=O)NNc2ccccc2C(=O)O)ccc1O	1599400289	GGOAPFSHFIFXDT-UHFFFAOYSA-N	316.313	1.785	50	20	DDGD	
COCC(=O)NN[C@H](C(=O)O)c1ccc(Cl)c(Cl)c1	1599142878	IVWBLFDMIDTVNF-JTQLQIEISA-N	307.133	1.386	50	20	DDGD	
COc1cc(C(=O)NNc2ccc(C)c(C(=O)O)c2)nn1C	1599355380	QGJVKMDYCZNUHW-UHFFFAOYSA-N	304.306	1.192	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2cccc(-c3nn[nH]n3)c2)[C@@H](C)O1	1590200354	PYSMRMJABDNMMC-LNLATYFQSA-N	317.353	1.059	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NNc1ccc(C(=O)O)cc1F	1594126349	PPSYHAWXJPPFDB-IUCAKERBSA-N	308.309	1.972	50	20	DDGD	
COc1cc(C(=O)O)ccc1CCNS(=O)(=O)CCl	1599367160	FUVKCCARHLFYRB-UHFFFAOYSA-N	307.755	1.052	50	20	DDGD	
O=C(Cc1ccsc1)NNC(=O)Cc1ccccc1C(=O)O	1594712013	QONDFZKWRVNTRD-UHFFFAOYSA-N	318.354	1.379	50	20	DDGD	
O=C(NNc1cccc2c1OC(F)(F)O2)[C@H]1CC[C@H]1C(=O)O	1594782358	ZUEGJVQTBRKFHD-NKWVEPMBSA-N	314.244	1.562	50	20	DDGD	
CCOc1cc(C=NNC(=O)CC2CC2)ccc1OCC(=O)O	1776077380	NUIYZMBDKMXCFK-UHFFFAOYSA-N	320.345	1.799	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccc(N(C)C)c2)cc1	17250774	TVPPTEHAPCIBMD-UHFFFAOYSA-N	313.357	1.836	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)c1cccnc1	158235706	NYSASJOEFUSTKN-NWDGAFQWSA-N	317.295	1.925	50	20	DDGD	
Cc1cccc(-n2cc(C(=O)NNC(=O)C(C)(C)C)nn2)c1	160300621	FJHWTQQNMKZSLE-UHFFFAOYSA-N	301.350	1.383	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Cn1ccc2ccccc21)N(C)C	164000739	KSEBHXRTJUBDST-CYBMUJFWSA-N	302.378	1.129	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)COc1cc(C)cc(C)c1)N(C)C	152148488	MPHDLSBHABFBBC-AWEZNQCLSA-N	307.394	1.170	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)Oc2cccc(Cl)c2)[nH]n1	153266755	UJOMKLSNNIHOLR-VIFPVBQESA-N	322.752	1.600	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@H]1CCN(CC(F)(F)F)C1	153876658	QOPIWQJAWSIOAY-VIFPVBQESA-N	322.780	1.561	50	20	DDGD	
O=C(CSc1nc2ccccc2[nH]1)NNc1ncc(F)cn1	157745512	CAQMDPDRNWNOHJ-UHFFFAOYSA-N	318.337	1.727	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1cccc(OC2CCCC2)c1	154683925	QQXJRCZQSROEFJ-UHFFFAOYSA-N	320.393	1.722	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccc(OC(F)(F)F)cc2)CCN1	159567758	ITYSEDLDPXNTHH-MRVPVSSYSA-N	317.267	1.555	50	20	DDGD	
O=S(=O)(CCCCl)NCc1ccccc1-n1cccn1	40495783	DPOCPNLVMSADFH-UHFFFAOYSA-N	313.810	1.921	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(Br)o2)[nH]n1	510506	LSQACXCBHXCKRW-UHFFFAOYSA-N	313.111	1.148	50	20	DDGD	
O=C(NNC(=O)c1ccc(Br)o1)c1cccnc1	7038957	MPUWTQNVHSXKDR-UHFFFAOYSA-N	310.107	1.512	50	20	DDGD	
CCc1ccc(S(=O)(=O)NNC(=O)Cc2cccnc2)cc1	103426116	XDHNMHVDZXNYHM-UHFFFAOYSA-N	319.386	1.196	50	20	DDGD	
Cc1cccc(S(=O)(=O)NNC(=O)c2ccc(C)cc2O)c1	55647754	ABOCWANIYIYMRY-UHFFFAOYSA-N	320.370	1.632	50	20	DDGD	
O=C(NCc1ccncc1)NNC(=O)c1cccc2ncccc12	106511750	FCASXOHSRSDBFS-UHFFFAOYSA-N	321.340	1.774	50	20	DDGD	
CC[C@H](NNC(=O)CNC(=O)c1ccco1)c1ccccc1	112540581	VUGHALLGZJLCDW-ZDUSSCGKSA-N	301.346	1.782	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)OC(C)(C)C)cc1OC	58095702	NOCWLNXUIDVWRO-UHFFFAOYSA-N	310.350	1.802	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)c1ccc(O)nn1	53604619	OIUAMGMVCQBSBN-UHFFFAOYSA-N	322.324	1.339	50	20	DDGD	
CNC(=O)C1CCC(NC(=O)NNC(=O)OC(C)(C)C)CC1	63406794	ONPPANJAEGHGKK-UHFFFAOYSA-N	314.386	1.030	50	20	DDGD	
O=C(NNc1cnccn1)C1=NN(c2ccccc2)C(=O)CC1	172264293	HOCYVNFBQAWCPO-UHFFFAOYSA-N	310.317	1.103	50	20	DDGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CN(C)C	171351091	TXIRDRZSSOPHAC-UHFFFAOYSA-N	318.402	1.441	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1cc(Br)c[nH]1	173942467	XZOKVUXSABKKOY-UHFFFAOYSA-N	322.126	1.200	50	20	DDGD	
O=C(NNc1ncccn1)Nc1ccc(Br)nc1	118973035	QIXOMTCGEFAEQV-UHFFFAOYSA-N	309.127	1.783	50	20	DDGD	
COc1ccccc1[C@@H]1CCCN1CC(=O)NNC(=O)C1CC1	112979833	MTBUJONHAKAFOV-AWEZNQCLSA-N	317.389	1.390	50	20	DDGD	
Cn1nccc1NC(=O)NNC(=O)c1ccc(O)c(Cl)c1	125540818	UAMKPTVOKYXTRE-UHFFFAOYSA-N	309.713	1.246	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@H](C)O)c1C	127631821	QKAJYKSEKTZWER-IYVNWDGISA-N	305.378	1.155	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cc(-c2ccccc2)on1	32259775	MBKXCDPREUELAN-LBPRGKRZSA-N	301.302	1.282	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNC(=O)Cc2cc[nH]n2)s1	186132199	FJQCIFTXKUEGEC-UHFFFAOYSA-N	320.374	1.133	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccn(-c2ccccc2F)n1	75875035	PPUMMBBETGHSOB-UHFFFAOYSA-N	319.365	1.306	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccoc2)cc(OC)c1OC	34192375	ZZILZHGUIPKPKE-UHFFFAOYSA-N	320.301	1.380	50	20	DDGD	
Cc1cc2occ(CC(=O)NNC(=O)CO)c2cc1C(C)C	180946797	SCQTZVJNCAWPBV-UHFFFAOYSA-N	304.346	1.547	50	20	DDGD	
O=C(NNc1ncc(F)cn1)C1=NO[C@@H](c2ccccc2)C1	123243848	CKSKZYGPIKRLDD-GFCCVEGCSA-N	301.281	1.576	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccn1C)c1c(F)cccc1F	122305848	MUSUNCKQQZCHBZ-SECBINFHSA-N	307.300	1.868	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)c1cnc2sccn2c1=O	78232200	FCVHWLAKRSKPEL-UHFFFAOYSA-N	322.296	1.791	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1C(=O)NNc1ncc(F)cn1	123218268	RYLAVXQYIVRSBC-UHFFFAOYSA-N	307.241	1.289	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)NCCc1cccs1	183458963	WAFLGTHKXHDSEE-UHFFFAOYSA-N	313.423	1.684	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@H]1SCCc2sccc21	79327793	KYGNTQQYOJTPRU-LBPRGKRZSA-N	321.427	1.878	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCCOc1ccc(OC)cc1	41961892	CSXJYZJMJBHOGS-UHFFFAOYSA-N	323.418	1.536	50	20	DDGD	
CCSCc1cc(C(=O)NNC(=O)NCc2ccco2)no1	184823204	NHUNRLIPNFEUAV-UHFFFAOYSA-N	324.362	1.665	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)Cc2ccc(O)cc2)cc1	132124379	YDWHHVFKFMFMMU-UHFFFAOYSA-N	313.357	1.503	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc([N+](=O)[O-])cc1F	132110875	WQZMIDYGXDTGRG-UHFFFAOYSA-N	307.241	1.289	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1ncnc2ccsc12	132886622	OHMQEZBDWBSZCC-VIFPVBQESA-N	310.379	1.576	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCCN2CCC(C)CC2)n1	45122707	OWAXLIBOZPAVKB-UHFFFAOYSA-N	320.441	1.842	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@@H]1COc2ccccc21)C1CC1	83675654	DPYPYSFCCHEQMV-BXKDBHETSA-N	305.403	1.456	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2ncc(C)s2)n1	147146449	WKSSKEIXCBKQCQ-UHFFFAOYSA-N	308.367	1.118	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1cc(C)c(Br)s1	94541686	QVKVYORTUPULDN-UHFFFAOYSA-N	313.198	1.148	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(Cn2cccn2)cc1	92600123	WNUAWYMZGYJQDR-UHFFFAOYSA-N	303.322	1.714	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccccc2)cnn1-c1ccncc1	90066861	HBEVQHGCVIPAFR-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
Cc1cccnc1CCCNS(=O)(=O)CBr	296289964	ZFZVIXJMENPVIR-UHFFFAOYSA-N	307.213	1.594	50	20	DDGD	
Cc1cc(CNC(=O)NN=c2sc3ccccc3n2C)on1	255847635	SZSDZQYNJNPKBN-UHFFFAOYSA-N	317.374	1.851	50	20	DDGD	
C[C@@H]1CSCCN1C(=O)NNC(=O)COCc1ccccc1	265674199	FNTKXVMAORXHPR-GFCCVEGCSA-N	323.418	1.381	50	20	DDGD	
Cc1nc(C)c(CCC(=O)NNc2ccc(Cl)nc2)c(O)n1	266517957	JJWNTGWWEZMLKC-UHFFFAOYSA-N	321.768	1.923	50	20	DDGD	
C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NNC(=O)c1ccccc1	268106986	GYDPUTKYELQNNB-FZMZJTMJSA-N	302.378	1.113	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNC(=O)c1ccccc1F	269682984	GJGFWESHUSKJKA-UHFFFAOYSA-N	311.313	1.113	50	20	DDGD	
COC[C@@H](NC(=O)NNc1cccc([N+](=O)[O-])c1C)C1CC1	269704398	LLEWFLBZXFBOLA-GFCCVEGCSA-N	308.338	1.954	50	20	DDGD	
O=C(CS[C@@H]1CCS(=O)(=O)C1)NNc1cccc(F)c1	269586330	NFFYBGMZMQTYKW-LLVKDONJSA-N	318.395	1.189	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCOc1ccc(F)cc1	264068258	XGJKKYOGRKXYOI-UHFFFAOYSA-N	311.357	1.971	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)OCC(F)(F)F	264661041	YTQBXKZNFLAJIL-UHFFFAOYSA-N	308.212	1.091	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@H](NC(=O)NNc2cncc(Cl)n2)C1(C)C	271941877	WPPGFIIGDHQKPI-BKDNQFJXSA-N	313.789	1.816	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1C1CCNCC1	368112095	KKTKBESAORRHLQ-NWDGAFQWSA-N	304.350	1.674	50	20	DDGD	
COC[C@@H](NS(=O)(=O)CBr)c1ccc(C)o1	272824890	PTYUQGDIUIYZRI-MRVPVSSYSA-N	312.185	1.547	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cccc(C(C)=O)c1	271360710	DVASRXWVGXPHCU-UHFFFAOYSA-N	311.432	1.361	50	20	DDGD	
O=C(NC[C@@H]1CCC2(CCCCC2)O1)NNc1ncccn1	277322152	UONXQNDMAZTXHF-LBPRGKRZSA-N	305.382	1.985	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@H]2COC3(CCCC3)O2)o1	271624951	XODLWNQHJNWIQU-LLVKDONJSA-N	323.349	1.218	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1nnc(C(F)(F)F)s1	273411859	KXHPHXZNVQZKOR-UHFFFAOYSA-N	311.289	1.756	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccc(N2CCOC2=O)cc1	273230123	RHEQLSKNBKQNTN-UHFFFAOYSA-N	304.306	1.206	50	20	DDGD	
COc1ccccc1NC(=O)C(=O)NNC(=O)OC(C)(C)C	274232696	QTVGJLQHEMZESU-UHFFFAOYSA-N	309.322	1.190	50	20	DDGD	
COCCC(C)(C)CNC(=O)NNc1nc(C)cc(OC)n1	273531711	HXIMOHFYRXNNOQ-UHFFFAOYSA-N	311.386	1.482	50	20	DDGD	
COCCCOc1ccc(NC(=O)NNC(C)=O)cc1OC	287182377	KHHJFSQBDSUFBH-UHFFFAOYSA-N	311.338	1.283	50	20	DDGD	
O=C(CCOC1CCOCC1)NNc1nccnc1C1CCC1	287313468	WKPCAJQQAXPQSE-UHFFFAOYSA-N	320.393	1.773	50	20	DDGD	
CC(C)(C)c1cnc(CCC(=O)NNC(=O)c2ccncc2)o1	282467374	NMRMFQADUFJSPN-UHFFFAOYSA-N	316.361	1.761	50	20	DDGD	
CC(C)(C)N1C[C@H](NC(=O)NNc2cccc(F)n2)CC1=O	288676810	MQJPPVDRRMSODH-SECBINFHSA-N	309.345	1.246	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)C(F)(F)C2(O)CCCC2)n1	286092135	NXIHMJCSWHTOHV-UHFFFAOYSA-N	321.715	1.096	50	20	DDGD	
N#C[C@@]1(C(=O)NNC(=O)Cc2ccccc2F)CC12CCCC2	294560527	JIINPXZZNSITSK-QGZVFWFLSA-N	315.348	1.990	50	20	DDGD	
CC[C@@H](C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)c1ccccc1	298064557	AXHSUOGKSQBWDG-HUUCEWRRSA-N	324.446	1.673	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1cncc(N2CCOCC2)c1	804766290	MQXYGSYIOLNPEZ-UHFFFAOYSA-N	317.324	1.209	50	20	DDGD	
COCCN(C)NC(=O)/C=C/c1ccc(-n2ccnc2)cc1	297118792	OXWALQFPFPHMFE-VMPITWQZSA-N	300.362	1.495	50	20	DDGD	
Cc1ccc2nc(C(=O)NNC(=O)[C@@H]3CCCCO3)ccc2c1	295688465	YVNKCZLYGAHPAX-HNNXBMFYSA-N	313.357	1.873	50	20	DDGD	
Cn1nc(C(=O)NNc2ncccc2F)c2ccccc2c1=O	804219669	FTZNEBDIFPKJNH-UHFFFAOYSA-N	313.292	1.225	50	20	DDGD	
O=C(NNc1ccncn1)[C@@H]1CCCCN1Cc1ccccc1	295438521	KDXBPNBFMKBGIJ-HNNXBMFYSA-N	311.389	1.974	50	20	DDGD	
Cc1ccc(Cl)cc1C(=O)NNC(=O)N=c1cc[nH]cc1	802027109	RMEVTGRILNSIEZ-UHFFFAOYSA-N	304.737	1.932	50	20	DDGD	
COC(=O)[C@H]1CC[C@H](C(=O)NNc2ncc(F)cc2F)CC1	296847518	FOXVZOUESHNBMZ-KYZUINATSA-N	313.304	1.782	50	20	DDGD	
O=C(CC[C@@H]1CCCN1)NNc1nc(-c2ccncc2)no1	292093887	NPKIEGZZRBAILM-NSHDSACASA-N	302.338	1.107	50	20	DDGD	
O=C(NNC(=O)c1nccs1)Nc1ccc2c(c1)OCO2	802106085	RBHRWFJRMRMUDG-UHFFFAOYSA-N	306.303	1.338	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)C1(c2cccnc2)CC1	804957386	ITPMQCLLYGNBNT-UHFFFAOYSA-N	321.344	1.232	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NN=Cc3ccn(C)n3)n[nH]2)cc1	814804941	LLDNHFFTXUUQOO-UHFFFAOYSA-N	308.345	1.883	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)s1	812267370	DHSKJZAJXXMYCD-UHFFFAOYSA-N	316.326	1.732	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@H]2CCC(=O)N2C)cc1C	812722386	OLORPMNSFZZHMK-CYBMUJFWSA-N	319.361	1.236	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNc2ncncc2F)c(F)c1	814633403	KLOZQICROOJBOD-UHFFFAOYSA-N	323.259	1.690	50	20	DDGD	
C[C@H]1C(=NNC(=O)c2ccnc(N(C)C)c2)CC[C@@H]1CC(=O)O	814844491	LDBFXLGOMFIBAM-GHMZBOCLSA-N	318.377	1.754	50	20	DDGD	
N#C/C(=C\c1cn(CC(=O)O)nn1)c1cc(C(F)(F)F)ccn1	812246935	XAXKUGKYOOPLOB-FPYGCLRLSA-N	323.234	1.841	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)Nc1ccn2ccnc2c1	810227753	IJQNKKYRUFDUEA-UHFFFAOYSA-N	311.301	1.506	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1Cc2[nH]c3ccccc3c2C1	814761492	XQWUEZYVOMUCMO-UHFFFAOYSA-N	310.357	1.361	50	20	DDGD	
CC(C)NC(=O)CCCC(=O)NNc1nc2ccccc2n1C	816577810	AWONHQLGZQUCIH-UHFFFAOYSA-N	317.393	1.711	50	20	DDGD	
CN(NC(=O)COc1cccc(N2CCCC2=O)c1)C1CC1	819642246	DJKYNNGDQBGQBP-UHFFFAOYSA-N	303.362	1.318	50	20	DDGD	
O=C(NNC(=O)[C@@H](F)C(F)(F)F)c1ccc(Cl)cc1O	810177387	QLUHPIPSYKEYIE-SSDOTTSWSA-N	314.622	1.707	50	20	DDGD	
O=C(Cc1cccnc1)NN=C1CCN(c2cnccn2)CC1	728786550	MKSQYXLFRBTLCD-UHFFFAOYSA-N	310.361	1.187	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)Cc2cccnc2)oc1C	728784776	UAFVDZZMRWUVPO-UHFFFAOYSA-N	301.302	1.462	50	20	DDGD	
CCc1ccc(CCNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	826035883	MNNZHQAFQSAFFX-IUODEOHRSA-N	319.405	1.547	50	20	DDGD	
CCN(Cc1ccccc1C)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	827315140	NQVAAPFRNWLARJ-HIFRSBDPSA-N	319.405	1.983	50	20	DDGD	
CC(C)(C)OC(=O)NCC1(C(=O)NNc2nc[nH]n2)CCCC1	497272287	PBQSPJUZGOGJAI-UHFFFAOYSA-N	324.385	1.333	50	20	DDGD	
COCCCNC(=O)NN=Cc1nc(-c2ccccc2)no1	726419516	CRIAFEVAYXEZCU-UHFFFAOYSA-N	303.322	1.406	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccn(CCc2ccccc2)n1	823917485	IRBCRAPOOCHVSP-CYBMUJFWSA-N	302.378	1.083	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccco1	826445890	PMOQNRFHLVJBLG-UHFFFAOYSA-N	305.685	1.265	50	20	DDGD	
COCCC1(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CC1	826155097	GIDIEEWKEBHCGP-UHFFFAOYSA-N	302.338	1.127	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2CCC[C@@H]2c2ccccc2)cn1	825909613	CVHMXOLGGMPHSB-HUUCEWRRSA-N	312.373	1.765	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CN[C@@H](c1ccccc1)C(F)(F)F	823953034	XDANSPZYUXDQEA-GWCFXTLKSA-N	319.327	1.223	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(N2C[C@H](C)O[C@H](C)C2)cc1	823898153	SFJZSHZVCONSTL-OKILXGFUSA-N	321.421	1.259	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)N[C@@H]1C=CCC1	821092365	NBSLMYNLSXCSAW-CYBMUJFWSA-N	303.362	1.677	50	20	DDGD	
Cn1nc(C(=O)NNCC(F)(F)C(F)(F)F)cc1C(F)F	827493803	WEAZEEMJIUIEHG-UHFFFAOYSA-N	322.184	1.790	50	20	DDGD	
CO[C@@H](C)C(C)=NNC(=O)NCCNC(=O)OC(C)(C)C	493423659	FBEPWWQXCPRNLL-JTQLQIEISA-N	302.375	1.221	50	20	DDGD	
O=C(NC[C@H]1CCCC[C@H]1C1CC1)c1cccc(B(O)O)c1	584997766	JQDHKLHYZNOROO-ZBFHGGJFSA-N	301.195	1.313	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)c1cc(-c2ccccc2)on1	822293354	VEMMNKSGESUFIC-ZDUSSCGKSA-N	317.345	1.918	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cc2cccn2cn1)C1CC1	824446114	GNGHMNNVBLWVDL-VIFPVBQESA-N	303.391	1.242	50	20	DDGD	
COC[C@@H]1CCCCN(C(=O)/C(C#N)=C\c2cnn(C)c2)C1	829520665	GFWPODAJSSSKPK-QVYJARAXSA-N	302.378	1.602	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NNC(=O)NC1CCCC1	900412778	KQKIKUJYYXRUJE-RNCFNFMXSA-N	305.382	1.349	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21	905618907	QLWXZPLOIPWGCN-FHLIZLRMSA-N	322.364	1.755	50	20	DDGD	
COc1ccc(F)cc1[C@@H](C)NCc1ccccc1B(O)O	585016890	CZAGBGCKOYGAJR-LLVKDONJSA-N	303.142	1.365	50	20	DDGD	
Cc1cc(NCCNC(=O)[C@]2(C)C[C@H]2Br)n(C)n1	907916574	QSMWKTMCCFBBAL-BXKDBHETSA-N	315.215	1.430	50	20	DDGD	
C[C@]1(N)CCCC[C@H]1C(=O)NNc1nc(-c2ccncc2)no1	828217564	DDZPTBFDYQZLGV-NHYWBVRUSA-N	316.365	1.482	50	20	DDGD	
CCn1ncc(C)c1NC(=O)NNC(=O)Cc1ccc(F)cc1	825155321	CRBMPCFMLYWIDH-UHFFFAOYSA-N	319.340	1.746	50	20	DDGD	
C[C@@]1(C(=O)NCCCCn2ccnc2)C[C@H]1Br	906675775	FJAZAEJESUUKAR-ZYHUDNBSSA-N	300.200	1.953	50	20	DDGD	
COc1ccnc(C(=O)NNc2ccccc2S(C)(=O)=O)c1	734864810	IFNKVJZQCXFPJG-UHFFFAOYSA-N	321.358	1.251	50	20	DDGD	
O=C(CC[C@H]1CCCCO1)NNC(=O)c1ccc2c(c1)OCO2	732051556	SFFCKGPHPDHXHO-GFCCVEGCSA-N	320.345	1.526	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@H](C(C)C)[C@H](O)c1ccccc1	829634338	FRBGOONVKKMDMD-HZPDHXFCSA-N	321.421	1.138	50	20	DDGD	
Cc1nc2c(s1)CCC[C@@H]2CNCc1cccc(B(O)O)c1	585039312	QERBBKDVTLTYFI-CYBMUJFWSA-N	316.235	1.341	50	20	DDGD	
CC(=O)c1ccc(C(F)(F)F)nc1N1CC[C@@H](B(O)O)C1	900964149	CZBIGMGQBREAAR-MRVPVSSYSA-N	302.061	1.356	50	20	DDGD	
CCC(C)(C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	736315148	WGTJIRHPCHZDGV-UHFFFAOYSA-N	302.338	1.064	50	20	DDGD	
CN(CC(=O)NNC(=O)NC1CCCC1)C(=O)OC(C)(C)C	491264195	FHRDKYCXDRZEEP-UHFFFAOYSA-N	314.386	1.126	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN([C@H](C)c2nccs2)CC1	490881852	ZLRJMRZQJOUCRT-NPRUJURCSA-N	320.418	1.792	50	20	DDGD	
CC(C)(C)C#CC(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1	837502728	OPSKUBMYECCQOU-UHFFFAOYSA-N	316.386	1.949	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cn1	490945113	ZXOXQOMNBNGFSD-LFIBNONCSA-N	321.384	1.676	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)NCCN1C(=O)CCC1=O	838470056	BFEZZZSXALZVOO-UHFFFAOYSA-N	324.768	1.424	50	20	DDGD	
CCOCC(=O)NNc1cc(OC)ccc1Br	839907503	RRKUUSOIGFNXIJ-UHFFFAOYSA-N	303.156	1.937	50	20	DDGD	
CN(CC(=O)NNc1ncc(F)cc1F)[C@@H]1CCSC1	837207954	GETFWYCOPHRPET-SECBINFHSA-N	302.350	1.240	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCc1cc2c(nc1O)CCC2	733651140	HNAGYNZLZRPPTL-UHFFFAOYSA-N	322.365	1.515	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@H](O)Cc1cccc(Cl)c1	834802565	VTZXVUNZUMPRGH-IEZBTEQYSA-N	308.765	1.804	50	20	DDGD	
COC(=O)C1CCC(NC(=O)NNc2nc(C)cc(C)n2)CC1	730129992	FEOXKVNUORMPTQ-UHFFFAOYSA-N	321.381	1.451	50	20	DDGD	
COc1ccc(CCNC(=O)NNC(=O)C2CCC2)c(OC)c1	732244195	YGEBRFJWXYVQSC-UHFFFAOYSA-N	321.377	1.377	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1OC	831057322	GJECFKJHYDGNKZ-KOLCDFICSA-N	323.349	1.282	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@H]1CCN1C(C)(C)C	908032712	SLCWRNUZYCPIOH-GFCCVEGCSA-N	323.368	1.928	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H](C)CC(=O)O)c(C)c1	832949095	OIZJTKBXCNPCKJ-SNVBAGLBSA-N	309.391	1.732	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(C(=O)O)cc1OC(F)F	737637244	FMYFRJFGNUBZNY-UHFFFAOYSA-N	319.220	1.379	50	20	DDGD	
COc1ccc(CCC(=O)N2CC[C@H](B(O)O)C2)cc1Cl	585070142	WMSRLQYRXKAMLG-NSHDSACASA-N	311.574	1.357	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H]2CC(=O)N(CC)C2)cc1	838676642	SIOJTSWMDALWTR-LBPRGKRZSA-N	306.366	1.332	50	20	DDGD	
O=C(Cc1cccc(C2CC2)c1)NNC(=O)[C@H]1CCCCO1	839781331	MANHNWDWEDSDFU-OAHLLOKOSA-N	302.374	1.823	50	20	DDGD	
C[C@H]1CCCCN1CC(=O)NNC(=O)c1ccc(C#N)cc1	839463922	NQKRBSCEKXRINN-LBPRGKRZSA-N	300.362	1.194	50	20	DDGD	
CC/C(C)=C/C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1	838044029	ZNTAYQQNMLQIPX-YRNVUSSQSA-N	315.329	1.219	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)c1cc(OC)cc(OC)c1	834926394	LVQPNOGSGKJJNA-UHFFFAOYSA-N	317.349	1.388	50	20	DDGD	
CCOc1cccc(CCNCc2ccc(B(O)O)cc2F)c1	585030587	VOCCLRNSYUYUQJ-UHFFFAOYSA-N	317.169	1.237	50	20	DDGD	
CC1(C)OC[C@H](CNC(=O)NNc2cccc(C(=O)O)c2)O1	833563678	LTXGOBNJJYOUSJ-NSHDSACASA-N	309.322	1.162	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)NC1CCOCC1	918233546	ZIOXUQQAXIHGST-UHFFFAOYSA-N	309.391	1.360	50	20	DDGD	
O=C(NN=Cc1cccc(Br)c1O)c1cnccn1	915959354	CGSNJOLFTUVEGW-UHFFFAOYSA-N	321.134	1.709	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2cc(C)nc3ccccc23)n[nH]1	918692018	RAHHWZMTMPGKAE-UHFFFAOYSA-N	323.356	1.904	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(C#N)s2)c(O)c1	749529360	HBJDZHDCUVLHJA-UHFFFAOYSA-N	301.327	1.709	50	20	DDGD	
O=C(CCCn1cccn1)NNC(=O)CCOc1ccccc1	749223979	NNKXLTHRFQLZJE-UHFFFAOYSA-N	316.361	1.280	50	20	DDGD	
CO[C@H]1CCCCC1=NNC(=O)[C@H]1COc2ccccc2O1	915941409	NCFQSRVRLCHKJJ-SWLSCSKDSA-N	304.346	1.888	50	20	DDGD	
CC[C@@H](C)Oc1ccc(C(=O)NNC(=O)c2c[nH]nc2C)cc1	749984544	YENLJDTZNLVGAY-SNVBAGLBSA-N	316.361	1.970	50	20	DDGD	
O=C(NNc1c(F)cccc1F)C1(n2cnnn2)CCCCC1	845855214	YKPHLFOXCQGLOH-UHFFFAOYSA-N	322.319	1.754	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)cccc1[N+](=O)[O-]	748673357	IKOVGPMOOUYPJO-SNVBAGLBSA-N	318.333	1.357	50	20	DDGD	
O=C(NCC(F)(F)F)NN=Cc1cccc2c1OCCO2	917551994	WPJHCGVZMIWVAP-UHFFFAOYSA-N	303.240	1.653	50	20	DDGD	
N[C@@H](CNC(=O)NNC(=O)c1cccc2ccccc12)C1CC1	841966767	YXOHWWHGMIITDU-HNNXBMFYSA-N	312.373	1.521	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ncc(F)cn1)C(=O)OC(C)(C)C	843841184	KCJAIHLFSVQVQB-JTQLQIEISA-N	312.345	1.673	50	20	DDGD	
COCCN(C)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1	843882791	WACHEIAKTGGHRD-UHFFFAOYSA-N	312.282	1.034	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@H](C(=O)OC)[C@@H]1CCC[C@H](OC)C1	844267340	BSLVPRMHBMCBHK-PWLAVRSSSA-N	324.377	1.293	50	20	DDGD	
C[C@@H](Oc1cccc(F)c1)C(=O)NNC(=O)CC(F)(F)F	918365623	ADAUCJHGSGTZIE-SSDOTTSWSA-N	308.231	1.693	50	20	DDGD	
CCCNC(=O)c1cccc(C(=O)NNC(=O)c2ccc[nH]2)c1	741207906	MJNVDLCGXYKCCZ-UHFFFAOYSA-N	314.345	1.229	50	20	DDGD	
CC(C)(C)OC(=O)[C@]1(C(=O)NNc2cnccn2)CC=CCC1	845954979	BAIJCBLVVWUJHN-MRXNPFEDSA-N	318.377	1.988	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)NNc1ccc(OC(F)(F)F)cc1	748497805	MONDQZYQYLWWLS-UHFFFAOYSA-N	319.283	1.943	50	20	DDGD	
NC(=O)c1cc(NC(=O)NNC(=O)C2CCCC2)ccc1Cl	916382311	ZWKGDDATSNVCCL-UHFFFAOYSA-N	324.768	1.782	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)C1CC2(CCC2)C1	843517562	KVNYLXHXCGCJAL-CQSZACIVSA-N	316.357	1.554	50	20	DDGD	
Cc1cc(C)c(S(=O)(=O)NNC(=O)[C@H]2CCO[C@H]2C)s1	842588711	DFXNIJRKDIPIPE-UWVGGRQHSA-N	318.420	1.099	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](C)[C@@H]1CCCNC1	841927997	QBQMOLXGLNODOB-QWHCGFSZSA-N	304.394	1.327	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc(-n2cccn2)c1	843650580	DTRMYTCRSNLKSQ-SMDDNHRTSA-N	314.345	1.058	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(C)c1OC	843655929	OJFHNXUIYPUNNQ-PWSUYJOCSA-N	322.361	1.198	50	20	DDGD	
COCCOCC(C)=NNC(=O)CNc1ccc(OC)cc1	741161502	XRTZHTSSBVPWEQ-UHFFFAOYSA-N	309.366	1.262	50	20	DDGD	
N[C@H]1CCc2ncc(NC(=O)NNc3ncccc3F)cc2C1	841320814	ATWPVHMXWBAYND-JTQLQIEISA-N	316.340	1.580	50	20	DDGD	
C[C@@H]1CCc2c(C(=O)NNC(=O)c3ncccn3)csc2C1	841350019	FFQZBTVROUHUTC-SECBINFHSA-N	316.386	1.738	50	20	DDGD	
Cc1nc(-c2ccc(C(=O)NNC(=O)c3ccccc3)cc2)n[nH]1	742240711	RFXJLXHIJNDDEU-UHFFFAOYSA-N	321.340	1.855	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCc1cccc([N+](=O)[O-])c1	843654525	RPJFCTOVTJIPCP-GXFFZTMASA-N	321.333	1.100	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1CCCN2CCCC[C@@H]12	848404432	LCUYPQFMZRBUNO-NSHDSACASA-N	307.423	1.768	50	20	DDGD	
CCn1nccc1C=NNC(=O)[C@@H](C)Oc1ccc(F)cc1	753690536	MKHDRMZTBBESDA-LLVKDONJSA-N	304.325	1.960	50	20	DDGD	
C[C@H](CCNC(=O)NNC(=O)CC(F)(F)F)N1CCCCC1	753410698	HXLUOTKMOYKOQP-SNVBAGLBSA-N	324.347	1.534	50	20	DDGD	
Cc1ccncc1/C=C/C(=O)NNC(=S)N[C@@H](C)C1CC1	855100219	XFONWWXNIJNUNC-QRGHLMKCSA-N	304.419	1.697	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNC(=O)OCC(F)(F)F	856021922	NAVFZSVKYAAJTL-ZCFIWIBFSA-N	322.287	1.840	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)c2cccnc2)cc1	755831711	MBMAMDMEYYCRRJ-UHFFFAOYSA-N	314.301	1.335	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C1CC2(CC2)C1	854223002	ADFFGAURNCEBQD-SNVBAGLBSA-N	306.337	1.931	50	20	DDGD	
O=C(CN1CCc2ccccc21)NN=c1cc[nH]cc1Cl	757413532	JXXZTPALZIOODC-UHFFFAOYSA-N	302.765	1.663	50	20	DDGD	
CCOc1c(OC)cc(C=NNC(=O)c2cc[nH]n2)cc1OC	853392479	MWHGUBZUMVFLRJ-UHFFFAOYSA-N	318.333	1.590	50	20	DDGD	
C[C@]1(CN[C@H](Cc2ccccc2)C(N)=O)C[C@@H]1Br	857247589	YPWGSPCCPFHTCW-MBNYWOFBSA-N	311.223	1.846	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=C1C[C@@H](C)N(C2CC2)C1	753955890	RIEQEXFQTKKHOS-UONOGXRCSA-N	306.454	1.837	50	20	DDGD	
Cc1noc(C)c1CCC(=O)NNC(=O)OCC(F)(F)F	856024642	CXWOUGZXZPLDMO-UHFFFAOYSA-N	309.244	1.544	50	20	DDGD	
C[C@@H]1COC[C@H]1NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	925992788	RZQJGBIDDAHVTM-ZJWDHLRQSA-N	321.421	1.568	50	20	DDGD	
COCCOCCNC(=O)NC[C@@]1(C)C[C@@H]1Br	856825842	CKCLZMOGTHPERG-GXSJLCMTSA-N	309.204	1.122	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)N[C@H]1CCOC2(CCC2)C1	852709429	UYSAEAOPIWUXNF-JTQLQIEISA-N	322.340	1.266	50	20	DDGD	
Cn1cncc1CNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	752948765	BKISJQSEMVBWNN-UFGOTCBOSA-N	312.211	1.990	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)CC[C@@]2(C)CCC(=O)N2)o1	753415915	ROTBCIGFJGWPBM-OAHLLOKOSA-N	319.365	1.562	50	20	DDGD	
O=C(NCC#CCO)NNc1ccc(Cl)c(C(F)(F)F)c1	923765043	TVNMILJYVCIMOH-UHFFFAOYSA-N	321.686	1.981	50	20	DDGD	
CN(C)CCOCCNC(=O)NC[C@]1(C)C[C@@H]1Br	856886743	NNVJLTJPJFZRKQ-JQWIXIFHSA-N	322.247	1.037	50	20	DDGD	
CC[C@@H](C)CCNC(=O)NNC(=O)CNC(=O)OC(C)(C)C	852490856	QCCYGGUBZMRYHR-SNVBAGLBSA-N	316.402	1.278	50	20	DDGD	
O[C@H]([C@@H]1CCCN1CCI)C(F)(F)F	759359932	LVXDAKPQTOGZDY-NKWVEPMBSA-N	323.096	1.809	50	20	DDGD	
COc1cccc2c1CN(CC(=O)NNC(=O)C(C)(C)C)C2	859940062	XNPNWFIRFULTSW-UHFFFAOYSA-N	305.378	1.204	50	20	DDGD	
CCOCCONC(=O)NNc1ccc([N+](=O)[O-])cc1F	854004262	YMTGKHRYXNGTBF-UHFFFAOYSA-N	302.262	1.328	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=Cc1cc(Cl)ccc1F	753710356	WXXVBKDLEQCABT-UHFFFAOYSA-N	324.699	1.373	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccccc2C)ccc1O	756784671	WQDYZEOKNTXWNX-UHFFFAOYSA-N	300.314	1.784	50	20	DDGD	
CCCCCCN(C)CC(=O)NNc1cc(Cl)nc(N)n1	753463685	GJECRDZOOMIXJZ-UHFFFAOYSA-N	314.821	1.667	50	20	DDGD	
O=C(CCCOCc1ccccc1)NNC(=O)Cc1cc[nH]n1	755278946	FWGLIBRPKIHXDU-UHFFFAOYSA-N	316.361	1.097	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC(=O)N(c2cccc(F)c2)C1)C1CC1	854180897	QLZBDRKCQDPQLT-NSHDSACASA-N	319.336	1.126	50	20	DDGD	
CCO[C@@H](C(=O)NNc1nc2ccccc2c(=O)n1C)C1CC1	859370427	GQKYKAXROQSOTR-CYBMUJFWSA-N	316.361	1.192	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1nc(C)cs1	863126526	KLXSZSNNAASJHM-NEPJUHHUSA-N	308.407	1.155	50	20	DDGD	
CC(C)Cc1ccc(C(=O)NNC(=O)N2CCN(C)CC2)s1	935860770	UOFUKHFJTHXRDN-UHFFFAOYSA-N	324.450	1.548	50	20	DDGD	
Cc1cc(NC(=O)NNCC(F)(F)C(F)(F)F)nn1C	860807258	BMRLFWAHHSMLFL-UHFFFAOYSA-N	301.219	1.552	50	20	DDGD	
O=C(NNC(=O)C1=Cc2cc(F)ccc2OC1)NC1CCCC1	761400728	CAUNFAASMUDERF-UHFFFAOYSA-N	319.336	1.875	50	20	DDGD	
Cc1cccc(O)c1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	860390392	SFCDLEAIEDWRFX-LLVKDONJSA-N	322.361	1.439	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cnn(CC3CC3)c2)c1	865164448	FHVRNOSHEWEIEJ-UHFFFAOYSA-N	309.329	1.240	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C2CCCc3c(Cl)cccc32)N1	863153602	XGPGHWKPYRAGJA-CYBMUJFWSA-N	305.765	1.775	50	20	DDGD	
CCC(CC)[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccccn1	761499561	WFOKWXKBTIRGQI-SNVBAGLBSA-N	306.366	1.240	50	20	DDGD	
CCn1nncc1CNC(=O)[C@@H](Br)C(C)(C)C	862362049	RSYYURKRVHBVAS-SECBINFHSA-N	303.204	1.724	50	20	DDGD	
Cn1nc(CNC(=O)NNC(=O)OC(C)(C)C)c2ccccc21	760175747	VFUJCBKCFDPSGI-UHFFFAOYSA-N	319.365	1.812	50	20	DDGD	
COCCCN(C)CCNS(=O)(=O)CC(C)(C)CCl	866871765	BFOVDICDHDCNFH-UHFFFAOYSA-N	314.879	1.139	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1cnc(C2CCCC2)s1	767764631	HZHKUPHWRVWQTK-UHFFFAOYSA-N	320.418	1.873	50	20	DDGD	
CC(C)(C)[C@H](O)C(=O)NNC(=O)CSc1ccccc1O	765250483	UVFMPBXRAMTGBO-GFCCVEGCSA-N	312.391	1.039	50	20	DDGD	
C[C@H](NNC(=O)CCc1ccccc1C(N)=O)C(F)(F)F	862316985	HSLBILPMECYUJL-QMMMGPOBSA-N	303.284	1.290	50	20	DDGD	
CCOC(=O)Cn1ccc(NC(=O)NNc2cccc(C)n2)n1	861202002	DBXZILKTYDXLFA-UHFFFAOYSA-N	318.337	1.298	50	20	DDGD	
C[C@H]1Oc2c(cccc2C(=O)NNc2ncc(F)cn2)NC1=O	760928485	OKRUBCIUAUJGHP-SSDOTTSWSA-N	317.280	1.092	50	20	DDGD	
CC1(C)C(=O)Nc2ccc(C(=O)NNC(=O)C3CCCC3)cc21	768954294	VUWZERZADADLLC-UHFFFAOYSA-N	315.373	1.868	50	20	DDGD	
COc1cc(C(=O)NNC(=O)NC2CCCC2)cc(OC)c1O	762584288	HMSXACTUUGDEAI-UHFFFAOYSA-N	323.349	1.296	50	20	DDGD	
C[C@H](CO)CCCNC(=O)NNc1ccc(C(C)(C)C)nn1	1116395562	FYJCSRPZNJYKPN-NSHDSACASA-N	309.414	1.809	50	20	DDGD	
O=C(CCNC(=O)OCC(F)(F)F)NNc1ccc(F)cn1	874651574	QYKJQMOXKWHHKF-UHFFFAOYSA-N	324.234	1.342	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)CO)cc1Br	776780833	OSZVXUMSCQXYKR-UHFFFAOYSA-N	301.140	1.290	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H]1c2c[nH]nc2CC[C@@H]1C	878001249	USKYPNHNBVPTEG-NHYWBVRUSA-N	312.373	1.845	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@@H](CC)c1ccc(OC)cc1	774814138	JUXGUZKXQBHJRK-RISCZKNCSA-N	307.394	1.682	50	20	DDGD	
O=C(NNc1ncccc1Cl)c1cncc(N2CCCC2)n1	878855970	VYAVFYKFQIOWRE-UHFFFAOYSA-N	318.768	1.882	50	20	DDGD	
CCOC(=O)NCC(=O)NNC(=S)Nc1ccc(C)c(C)c1	873764378	BXCGZACHGFUACM-UHFFFAOYSA-N	324.406	1.367	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H]1CCCCS1(=O)=O	772867530	UKGFRWMLMPVGAV-SNVBAGLBSA-N	312.395	1.010	50	20	DDGD	
CCn1ncc(Br)c1C(=O)NNC(=O)C(C)(C)C	1123499742	VKQNARROZMFPTD-UHFFFAOYSA-N	317.187	1.473	50	20	DDGD	
CC[C@@H](NS(=O)(=O)CCCCCl)[C@H](O)C(F)(F)F	780827262	GFAAOUQTLCIBJJ-SFYZADRCSA-N	311.753	1.627	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(Cl)cc1)C1CCOCC1	882806396	YJHWRCLVUHMPLG-UHFFFAOYSA-N	318.782	1.076	50	20	DDGD	
C[C@@]1(CCC(=O)NNc2c(F)cc(F)cc2F)CCC(=O)N1	885152235	YPRYKIKZDSESDY-AWEZNQCLSA-N	315.295	1.996	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ncnn2-c2ccccc2)nn1	787350536	SRMQITKPKSHFLY-UHFFFAOYSA-N	324.348	1.192	50	20	DDGD	
Cc1ccc(C[C@H](CO)NS(=O)(=O)CCCCl)cc1C	882245329	HIHIGGMKBCCBBU-CQSZACIVSA-N	319.854	1.755	50	20	DDGD	
O=C(C[C@@H]1CCc2ccccc21)NNC(=O)C1CCOCC1	883063645	WUVYDQRSHIKEND-AWEZNQCLSA-N	302.374	1.681	50	20	DDGD	
COCc1cc(NC(=O)NNC(=O)C2CCC2)ccc1OC	880666896	DESAHGLBHGILEJ-UHFFFAOYSA-N	307.350	1.794	50	20	DDGD	
CCN(CC)CC[C@H](C)NC(=O)NNC(=O)c1ccccc1F	1122430860	YDYLBOOBPLZGSJ-LBPRGKRZSA-N	324.400	1.890	50	20	DDGD	
CCCOc1cccnc1C(=O)NNC(=O)C1CCOCC1	883068883	LJIDHKWGNDKJRZ-UHFFFAOYSA-N	307.350	1.058	50	20	DDGD	
COc1ccncc1NC(=O)C(=O)NN(C)c1ccccc1	783429643	MRUYEKFCTYMAMP-UHFFFAOYSA-N	300.318	1.196	50	20	DDGD	
CCN(C)C(=O)[C@H](C)NC(=O)NNc1cccc([N+](=O)[O-])c1C	788892601	NIHQMBRYPAOZEC-JTQLQIEISA-N	323.353	1.396	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccnc(N(C)C)c2)c1	780791682	NNKIMEUBEICVRK-UHFFFAOYSA-N	314.345	1.691	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H]2COCC[C@H]2OC)cc1	898084680	VZGOMUGWVHCKPK-ZIAGYGMSSA-N	309.366	1.515	50	20	DDGD	
CCC1=C(C(=O)NNC(=O)c2ccc3c(c2)OCO3)CCCO1	790110110	DOBDOCOGHHJPIX-UHFFFAOYSA-N	318.329	1.651	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1cccc2c1OCCO2	899096738	YOSJPXJQIYLUFA-UHFFFAOYSA-N	321.377	1.724	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc(-c2nc[nH]n2)cc1	899996177	PNDFQCYYYSYOJT-UHFFFAOYSA-N	318.406	1.379	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCC1(C#N)CC1	797583415	VWRZUCNUBNMPFO-JTQLQIEISA-N	320.324	1.227	50	20	DDGD	
Cc1cnn(C)c1C=NNC(=O)[C@@H](C)CN1CCCCCC1	794886528	AICFNXNUEJUNMO-AWEZNQCLSA-N	305.426	1.691	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2ccc3c(c2)oc(=O)n3C)n1	794571911	MUCIGGVCVRNKJC-UHFFFAOYSA-N	310.313	1.599	50	20	DDGD	
COc1coc(C(=O)NNc2cnnc3ccccc23)cc1=O	799100413	RIHWYUZNYHFEDY-UHFFFAOYSA-N	312.285	1.349	50	20	DDGD	
CCCN1CCC[C@@H]1C(=O)NNC(=O)Cc1ccccc1OC	792797940	IYNFEUQTSKZFIL-CQSZACIVSA-N	319.405	1.260	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1	793473371	FMQYFWVIKJVDMZ-GXTWGEPZSA-N	323.368	1.829	50	20	DDGD	
COc1ccc(C=NNC(=O)CC(C)(C)C)cc1OCC(N)=O	1318470085	JKGKMMNYQVKHSG-UHFFFAOYSA-N	321.377	1.446	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccnc1)c1ccc(F)cc1F	1318751501	FAJVOZAPZOBPQQ-VIFPVBQESA-N	305.284	1.925	50	20	DDGD	
N#CCOc1cccc(CNC(=O)NNC(=O)c2ccc[nH]2)c1	1318483561	OUJSVKWGCZQJLX-UHFFFAOYSA-N	313.317	1.061	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCc2ccc(Cl)cc2C1	1319568171	GFKZNFXXORTYEH-UHFFFAOYSA-N	323.824	1.892	50	20	DDGD	
Cc1cc(NNC(=O)c2ncoc2[C@H]2CCCO2)nc(C)n1	1318616697	CCIBXBIFOSULSL-SNVBAGLBSA-N	303.322	1.690	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1	1317858051	FKNUGPJUBQJBPC-LBPRGKRZSA-N	324.381	1.222	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)OC1CCCCC1	1321051071	DEKGLEQUXLTEMF-MNOVXSKESA-N	314.382	1.213	50	20	DDGD	
O=C(NNC(=O)c1cnc(C2CC2)[nH]1)c1ccc(Cl)nc1	1323798043	QMSJZVGJIKMQDL-UHFFFAOYSA-N	305.725	1.410	50	20	DDGD	
CC(C)CC1(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)CCC1	1326003768	AVXUCACMNFJWPQ-STQMWFEESA-N	311.426	1.958	50	20	DDGD	
CCC(C)(C)N[C@@H](C)C(=O)NNc1nncc(N)c1Cl	1320679574	QRBZZRRQHWMTQP-ZETCQYMHSA-N	300.794	1.322	50	20	DDGD	
COc1nc(Cl)c(C=NNC(=O)Cc2ccncc2)n1C	1324925055	OCGIFXZRUQVZKV-UHFFFAOYSA-N	307.741	1.170	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)CCCc1ccccc1	1337112583	AHPALQGSZABGGE-LSDHHAIUSA-N	304.390	1.972	50	20	DDGD	
COc1nc(Cl)c(C=NNC(=O)CNc2ccccc2)n1C	1330305970	UQXKSRJSVJDPEP-UHFFFAOYSA-N	321.768	1.644	50	20	DDGD	
COc1cccc([C@@H](C)C(=O)NNc2nncc(N)c2Cl)c1	1333509541	RPUHDBFDLNAQRV-MRVPVSSYSA-N	321.768	1.968	50	20	DDGD	
CCn1nc(C(C)C)cc1C(=O)NNC(=S)NCC1CCC1	1331220907	FGTBBEZBHRUHHH-UHFFFAOYSA-N	323.466	1.935	50	20	DDGD	
CC1(C)[C@@H]2CC[C@@]1(C(=O)NNc1nc3ccccn3n1)C(=O)C2	1347399164	ZOLJPXUOPBAFNM-HWPZZCPQSA-N	313.361	1.568	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1F)[C@@H]1OC[C@@H]2COCC[C@@H]21	1262636213	MRLJNXGVJMKFFM-GMOODISLSA-N	314.744	1.974	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)NCCC(F)F	1342478227	XLRWXAIPZSXAFK-UHFFFAOYSA-N	319.333	1.470	50	20	DDGD	
COC(=O)c1coc(C(=O)NNc2cccc(C(=O)O)c2F)c1	1606630618	JSRMTENRLFVSDZ-UHFFFAOYSA-N	322.248	1.660	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)NCCc2cccnc2)cc1	1602128333	SIFOIFXPAVSUIA-UHFFFAOYSA-N	314.345	1.578	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)N[C@@H]1CC[C@H]2C[C@@H]2C1	1606858328	QNLUQGBJYMGAMB-JMJZKYOTSA-N	314.353	1.076	50	20	DDGD	
C[C@@]1(CCC(=O)NNc2ccc(C(=O)O)cc2F)CCC(=O)N1	1609822698	POCSXVRBCPSZIW-HNNXBMFYSA-N	323.324	1.416	50	20	DDGD	
O=C(O)C(=O)NN=C1CCCc2sc(Br)cc21	1601637641	FWPIXRRFLPUDGH-UHFFFAOYSA-N	317.164	1.752	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc(C(=O)O)o1	1608362829	HVZBJFQPKCEQSN-UHFFFAOYSA-N	322.704	1.635	50	20	DDGD	
O=C(O)[C@H]1CC[C@H](C(=O)NNc2cnc3ccccc3n2)CC1	1608820467	XPWFGIIGUFKBNA-XYPYZODXSA-N	314.345	1.964	50	20	DDGD	
CS[C@@H](C)CNC(=O)NNc1ccc(F)c(C(=O)O)c1	1607388939	GFIPEIYVONTVJM-ZETCQYMHSA-N	301.343	1.902	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(C(=O)O)cc1N(C)C	1605503974	PIZDCFNIKIRXPK-LUAWRHEFSA-N	303.318	1.833	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNC(=O)c2cccc(F)n2)c1	1605140795	JIULTSCNJXYWBO-UHFFFAOYSA-N	317.276	1.302	50	20	DDGD	
CCOc1cccc(CC(=O)NNc2ccc(C(=O)O)cn2)n1	1605706433	SJUJPBHIDBFMPJ-UHFFFAOYSA-N	316.317	1.259	50	20	DDGD	
Cn1c(C(=O)O)ccc1C(=O)NNC(=O)Nc1ccccc1	1600903840	OBSWOTDFESYAFC-UHFFFAOYSA-N	302.290	1.190	50	20	DDGD	
Cc1c(NNC(=O)NCCOCC(F)F)cccc1C(=O)O	1600053899	YHGDUJJSOIRABS-UHFFFAOYSA-N	317.292	1.601	50	20	DDGD	
O=C(O)Cc1cn([C@]2(Cl)C[C@@H]2CCBr)nn1	1602149056	GDHXOHRFIUVVED-IMTBSYHQSA-N	308.563	1.602	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@H](C)OCC(C)C	1607140308	PVKXYZGQSHNAOH-JTQLQIEISA-N	310.350	1.898	50	20	DDGD	
O=C(O)c1ccc(F)c2c1CN(S(=O)(=O)CCl)CC2	1602367509	FORNXSYKSAOXSU-UHFFFAOYSA-N	307.730	1.408	50	20	DDGD	
C[C@@H](CN1CCCCCC1)C(=O)NN=Cc1cc(C(=O)O)no1	1609742852	ULAIGKXXRMDBRZ-NSHDSACASA-N	322.365	1.335	50	20	DDGD	
O=C(CCOCC(F)(F)F)NNc1cccc(C(=O)O)c1F	1610657201	SBHODPVRFMJIHU-UHFFFAOYSA-N	324.230	1.936	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccccc1S[C@H](C)C(=O)O	1610187504	NFQSFCWVLWAJCI-MRVPVSSYSA-N	312.347	1.595	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@@H]2C=NNC(=O)c2cc(C)[nH]n2)cn1	1552449473	MGBHLHHUANZNIB-BXUZGUMPSA-N	316.365	1.428	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H]1CCN[C@@H]1CC	1578276567	FTZISXKFNVYWCG-UONOGXRCSA-N	319.405	1.163	50	20	DDGD	
CC#CC[C@H](N)C(=O)NNC(=O)Nc1ccc(C)cc1Cl	1574971791	IJOKDTGRDOGEOA-NSHDSACASA-N	308.769	1.542	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)CCNC2CC2)o1	1577693448	YNJAYLDMQGJLLY-UHFFFAOYSA-N	322.409	1.025	50	20	DDGD	
Cc1ocnc1C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1844554396	HOVZULKTGVOROR-SNVBAGLBSA-N	315.732	1.334	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2cccn2CC(=O)O)cc1F	1594346703	CCFBWAWBPUKNAX-UHFFFAOYSA-N	303.293	1.784	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNC(=O)OCC(F)(F)F)c1	1594288242	GDORXVMFEZGJFT-UHFFFAOYSA-N	320.223	1.627	50	20	DDGD	
C[C@]1(CNC(=O)NNc2ccc(C(=O)O)cc2F)CCCO1	1594020680	WAEXODQOUIQZKW-CQSZACIVSA-N	311.313	1.719	50	20	DDGD	
N#C/C(=C/c1ccc(N)nc1)C(=O)Nc1ccc(C(=O)O)cc1	1776129065	HFWHBPZOXOZNNI-GHXNOFRVSA-N	308.297	1.908	50	20	DDGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)O)cc2)nn1C	1776129075	IIWDUISKJWYMNN-WQLSENKSSA-N	310.313	1.972	50	20	DDGD	
CCNC(=O)N(C)N=Cc1ccc(OCC(=O)O)c(Cl)c1	1776049513	XBIMDXPRNMRWGK-UHFFFAOYSA-N	313.741	1.799	50	20	DDGD	
CC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl	1796805936	FXAFPTPWNIXRNA-KZVJFYERSA-N	312.719	1.814	50	20	DDGD	
CN(C)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Cl)C2	1795872716	QXVFFPGYEPUZCC-NOHGZBONSA-N	319.808	1.111	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccccc2O)cccc1[N+](=O)[O-]	5171992	JCLKWGCRNNWIBC-UHFFFAOYSA-N	315.285	1.684	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)c2ccc(C)o2)c1C	160156557	TZTMCQCMRSEVCJ-UHFFFAOYSA-N	304.350	1.968	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2ccc(F)cc2Cl)[nH]n1	151218806	VVWMAZQZGDJDCM-UHFFFAOYSA-N	310.716	1.514	50	20	DDGD	
CC(C)CCCCCC(=O)NNC(=O)C(=O)Nc1ccccn1	152160008	NYRRTHUJOYEZAZ-UHFFFAOYSA-N	320.393	1.774	50	20	DDGD	
O=C(NNc1ccc(F)cc1Br)c1c[nH]nn1	153803639	YQJCNWSQWZMHCO-UHFFFAOYSA-N	300.091	1.463	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H](C)C(C)(C)CN(C)C)nc1	157535433	BIEGPWDBGAZVOE-NSHDSACASA-N	309.414	1.693	50	20	DDGD	
CN1C(=O)CN(S(=O)(=O)CCCCCl)c2ccccc21	154545945	IPDKBZDVGRRTGX-UHFFFAOYSA-N	316.810	1.818	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)c1ccc(Cl)cc1F	154851855	VAXRWJSRPBBUQR-UHFFFAOYSA-N	302.733	1.913	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCC[C@@H](C2OCCO2)C1	187129274	RSXMAYOTYDFMAL-LLVKDONJSA-N	311.831	1.420	50	20	DDGD	
CN(CCI)C1C[C@@H]2CC[C@H](C1)N2C	367216348	BVKHQRQJRRHGKI-ZACCUICWSA-N	308.207	1.978	50	20	DDGD	
C=CC(=O)N1CC[C@H](C(=O)NNC(=O)c2cccc(Cl)c2)C1	2088603489	BYAPKRYDBIEDNJ-NSHDSACASA-N	321.764	1.136	50	20	DDGD	
O=C(N/N=C1/C(O)=Nc2cc3c(cc21)OCCO3)c1ccc[nH]1	7904294	BOLLCICTSBXLBV-UHFFFAOYSA-N	312.285	1.522	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)CCc1ccccc1O	106286770	NUCJBBNTVBTEPR-GFCCVEGCSA-N	306.362	1.453	50	20	DDGD	
O=C(CCn1ccc2ccccc21)NNC(=O)Cc1cccnc1	103456900	PPBAGSZOCKTBHY-UHFFFAOYSA-N	322.368	1.817	50	20	DDGD	
CSc1nc(C(=O)NNC(=O)NC2CC2)c2ccccn12	64900282	MMOBMCMCODBSLA-UHFFFAOYSA-N	305.363	1.163	50	20	DDGD	
Cn1c(NNC(=O)CC(F)(F)F)nc2ccccc2c1=O	113187458	PGTXHWBPGRDMHP-UHFFFAOYSA-N	300.240	1.329	50	20	DDGD	
C[C@@H]1CCC[C@H](OCC(=O)NNC(=O)c2ccc(C#N)cc2)C1	112632407	QSAIZBWHSYXMOC-DOMZBBRYSA-N	315.373	1.915	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCc1ccc(C)nc1	67458363	JRSKMKYZGHJNGR-UHFFFAOYSA-N	314.345	1.543	50	20	DDGD	
N#Cc1ccc(CC(=O)NNc2nc3ccccc3c(=O)[nH]2)cc1	176784703	QZDVGOHKSIKSPZ-UHFFFAOYSA-N	319.324	1.481	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@H]2CCCO2)cc1OC	25400600	UXYVDXPDPOIIRO-GFCCVEGCSA-N	308.334	1.034	50	20	DDGD	
O=C(CCC(=O)c1ccc(F)cc1F)NNc1cnccn1	172265703	LXNJIIQPOORICN-UHFFFAOYSA-N	306.272	1.861	50	20	DDGD	
N#CC1(C(=O)NNC(=O)NCCc2cccs2)CCCC1	68456825	IQNSVVYVBJQMGY-UHFFFAOYSA-N	306.391	1.705	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)Cc1nc2ccccc2n1C	127351593	IHTANRWMHCQGKN-LBPRGKRZSA-N	320.418	1.405	50	20	DDGD	
CCC(=O)N1CCC(=NNC(=O)CNc2ccccc2)CC1	64306109	SNTSMHFCONYOMQ-UHFFFAOYSA-N	302.378	1.603	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2cccc([N+](=O)[O-])c2)c1	178848083	PCMWDHOAVZJKRH-UHFFFAOYSA-N	314.301	1.711	50	20	DDGD	
C[C@H](NS(=O)(=O)CBr)c1ccc(C#N)cc1	126696040	NFDMBUWCLFFRGX-QMMMGPOBSA-N	303.181	1.891	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1n[nH]cc1[N+](=O)[O-]	127008018	GSWHOZOOSZPRFX-UHFFFAOYSA-N	301.184	1.492	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)CCc2ccccc2)CCC1	121117334	IWKFVNAHFWNMMJ-UHFFFAOYSA-N	318.373	1.500	50	20	DDGD	
C[C@](O)(CNS(=O)(=O)CBr)c1ccccc1	70961140	NYSLQPHYXZMZJG-JTQLQIEISA-N	308.197	1.166	50	20	DDGD	
COc1cccc(NNC(=O)c2cc(F)c(F)c(O)c2F)n1	184562919	LYKQQVIBLRADME-UHFFFAOYSA-N	313.235	1.970	50	20	DDGD	
O=C(Cc1n[nH]c2c1CCCC2)NNc1ccccc1[N+](=O)[O-]	188753261	MYRCJUTYWSAWBX-UHFFFAOYSA-N	315.333	1.883	50	20	DDGD	
N#C/C=C(\c1ccccc1)N1CCN(C(=O)CN2CCCC2)CC1	79320360	JWFMRVQXDFLAQI-QGMBQPNBSA-N	324.428	1.791	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c(=O)c2ccccc12)c1ccccc1	188441148	AMIFSWFRLISXFS-UHFFFAOYSA-N	307.309	1.603	50	20	DDGD	
CS[C@H](CO)[C@H](C)NC(=O)/C(C#N)=C\c1ccc(O)cc1	185862584	VZRFHGKUCBCQME-RHJSKUNNSA-N	306.387	1.528	50	20	DDGD	
CN1CCO[C@H](C(=O)NNc2c(Cl)cc(F)cc2Cl)C1	126180746	IEVTUFRYUATKSR-JTQLQIEISA-N	322.167	1.906	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2c(C)cc(C)[nH]c2=O)cc1	73274522	AOENQLGIIRQFNG-UHFFFAOYSA-N	313.357	1.629	50	20	DDGD	
CCc1nc(NC(=O)NNC(=O)c2cccn2C)sc1C	186270647	SGQNDTCLIOGTNR-UHFFFAOYSA-N	307.379	1.819	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccc(N(C)C)cc1	132435983	VMMYKWWXEAPYDS-UHFFFAOYSA-N	302.338	1.700	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](C)Cn1ccnc1	47029013	HXZWTVPMTSKEIF-GFCCVEGCSA-N	301.350	1.224	50	20	DDGD	
COc1cc(C(=O)NNc2ncccn2)c([N+](=O)[O-])cc1OC	43731155	AURUCXMFHHMRKU-UHFFFAOYSA-N	319.277	1.159	50	20	DDGD	
Cn1ncc(C(=O)NNc2nc3ccccn3n2)c1-n1cccc1	191883565	HHGYYUROHQJAQA-UHFFFAOYSA-N	322.332	1.010	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cnc3ccc(F)cc3c2)[nH]n1	89421648	MGPIKJIMHNCUGO-UHFFFAOYSA-N	313.292	1.480	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc(-c2ccc(Cl)s2)on1	194917812	WBAHPOPBTHFSER-UHFFFAOYSA-N	314.754	1.973	50	20	DDGD	
CCC(=O)N1CCC[C@@H](C(=O)NNC(=O)CC2CCCC2)C1	195208215	BPDZWQYHECRVHQ-CYBMUJFWSA-N	309.410	1.363	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cccc(-c3ccoc3)c2)cn1	89770921	ZVLUFEFAXDPHOZ-UHFFFAOYSA-N	310.313	1.755	50	20	DDGD	
Cc1cccnc1NC(=O)NNC(=O)c1c(C)nc2ccccn12	145448887	IMWVRXIGUFGTBI-UHFFFAOYSA-N	324.344	1.813	50	20	DDGD	
COc1cc(OC)c(C=NNC(=O)c2cnccn2)c(OC)c1	254908072	NAYRKTNANDGMDY-UHFFFAOYSA-N	316.317	1.266	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)CCC3CCCCC3)nc21	269285795	CFUXWYNRVZHBGG-UHFFFAOYSA-N	318.381	1.873	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(Cl)cc1F)C1CCC1	264735627	JNVIXJAKXDTMST-UHFFFAOYSA-N	306.746	1.589	50	20	DDGD	
CN(NC(=O)NCC(C)(C)N1CCOCC1)c1ccccc1	263953341	ZCASUAACRSXQOE-UHFFFAOYSA-N	306.410	1.448	50	20	DDGD	
CC(=O)NNC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1	269503691	FTYSZKOLUCTBOF-ZDUSSCGKSA-N	321.377	1.810	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNc2nccc(N(CC)CC)n2)O1	268638785	QQHPLCMSPJJUDF-RYUDHWBXSA-N	307.398	1.724	50	20	DDGD	
C[C@H](NC(=O)NN(C)c1ccccc1)c1nnc2n1CCC2	264539406	MXSZLYKIGWUNBW-NSHDSACASA-N	300.366	1.636	50	20	DDGD	
CC[C@H](C)NC(=O)CCNC(=O)NNc1ccc(Cl)nc1	266717908	JCZHWEALSLPUKX-VIFPVBQESA-N	313.789	1.666	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1CCc2ccc(OC)cc21	277576925	BNNWDNJCILVSDS-LBPRGKRZSA-N	305.403	1.406	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNC(=O)C1=CCCCCC1	275038937	XSMYLONNYFVQRN-UHFFFAOYSA-N	321.402	1.516	50	20	DDGD	
CN(C)c1ccccc1CNS(=O)(=O)CBr	276196329	IWVNITGOECQBGA-UHFFFAOYSA-N	307.213	1.524	50	20	DDGD	
C=CCOc1cccc(NC(=O)C(=O)NNC(=O)CC(C)C)c1	274137017	JFKTXQTUAZZEDO-UHFFFAOYSA-N	319.361	1.383	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNC(=O)Cc1cccnc1	277316942	UAMMPNVMLZRFPN-UHFFFAOYSA-N	314.345	1.187	50	20	DDGD	
CSc1cccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)c1	274082704	RJGSECREUCZLEX-UHFFFAOYSA-N	323.418	1.931	50	20	DDGD	
CC(F)(F)CC(=O)NNC(=O)c1ccc2c(c1)OCCO2	277784948	MRAMXMCBZGZNDV-UHFFFAOYSA-N	300.261	1.264	50	20	DDGD	
CC(C)OCC(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	278294497	AMRNJCKTYDBDGB-JTQLQIEISA-N	314.769	1.680	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccc(C(=O)N2CCCC2)cc1	273163705	CEPLCSLZETXRMU-UHFFFAOYSA-N	316.361	1.485	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@@H]1CCO[C@@H](C2CC2)C1	274146325	DDMYONRLCMSUFX-BXUZGUMPSA-N	321.352	1.727	50	20	DDGD	
C[C@H]1COCC[C@H]1CNC(=O)NNc1ncnc2ccsc12	287050531	UHTGTHUNXDGNGJ-UWVGGRQHSA-N	321.406	1.990	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cncc(C(F)(F)F)c1	289811050	SBDUKDFKJBJBRC-UHFFFAOYSA-N	320.271	1.081	50	20	DDGD	
Cc1oc(C(C)C)nc1C(=O)NNc1ncnc2nc[nH]c12	288157548	VWMCUGIPSRBOFS-UHFFFAOYSA-N	301.310	1.530	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)[C@H](O)C(C)C)c1	289132083	VIXGXTIRUWEZJM-LLVKDONJSA-N	315.757	1.518	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCCC1(O)CCOCC1	287985728	JRAMPNSTPYSQAO-UHFFFAOYSA-N	311.357	1.692	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cn(C(C)C)cn1	281153664	BMTZMZVTIFABCF-UHFFFAOYSA-N	316.361	1.476	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCc1ncnn1C(C)(C)C	283317010	YKRYVLOHBGDFEX-UHFFFAOYSA-N	312.374	1.272	50	20	DDGD	
COc1cccc(NNC(=O)c2cc(F)cc3nn[nH]c23)n1	800531853	LMNZJOWQLQGSJH-UHFFFAOYSA-N	302.269	1.258	50	20	DDGD	
Cn1cnc(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)n1	809984197	YDAXBFQOKYYKBM-UHFFFAOYSA-N	319.390	1.220	50	20	DDGD	
CC(C)Nc1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)cn1	295612095	QUUFFLUXEYHFEJ-LBPRGKRZSA-N	306.366	1.232	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(C)(F)F	295304064	KCQKWSUUAMTZRI-SSDOTTSWSA-N	306.696	1.910	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)[C@@H]2CCCO2)c(-c2ccccc2)o1	294693583	QNFGSMSAMFENKY-LBPRGKRZSA-N	315.329	1.590	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2cncn2C)cc1C	291107686	FELHKWQTXMCSPP-UHFFFAOYSA-N	302.334	1.662	50	20	DDGD	
CO[C@](C)(C(=O)NNc1ccc(C(F)(F)F)nn1)C1CC1	291993911	WDHYDSHGRUVWRQ-NSHDSACASA-N	304.272	1.754	50	20	DDGD	
CCN(CC(=O)NNC(=O)Nc1ccc(OC)cc1)C1CC1	802061434	PPYVRGWGRLFDAM-UHFFFAOYSA-N	306.366	1.332	50	20	DDGD	
Cc1nc2ccc(NC(=O)NNC(=O)[C@@H]3CCCO3)cc2o1	292803281	YUSGVUBUIOQJRE-NSHDSACASA-N	304.306	1.468	50	20	DDGD	
C#CCCOc1ccc(C(=O)NNC(=O)NCCCOC)cc1	294738857	OAGYPWGESSAUGU-UHFFFAOYSA-N	319.361	1.069	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CN1C(=O)COc2ccccc21	808245364	AXOITACKFIRSRG-UHFFFAOYSA-N	317.172	1.674	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cn(CCc2ccccc2)nn1	294661790	QLDVJUYELIHLII-UHFFFAOYSA-N	313.361	1.082	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc2ccccc2oc1=O	295606082	QGWODEAYSYCVJT-CYBMUJFWSA-N	316.313	1.123	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ncccc2F)c(C)c1	807301568	CNMOGQKFUZJDMX-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
CC(C)(NC(=O)C(F)(F)F)C(=O)NNc1ncccc1F	804212024	CMIHUGGDKWTHAL-UHFFFAOYSA-N	308.235	1.121	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2cc(C(=O)O)c(C)[nH]2)cc1	800804803	IZIPZEOVGRMSEF-UHFFFAOYSA-N	314.345	1.892	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(F)c(F)c1F)N1CCOCC1	801175967	MICVOAKPBRWVRO-UHFFFAOYSA-N	317.311	1.658	50	20	DDGD	
O=Cc1c[nH]c(C(=O)NNC(=O)c2cccc(OC(F)F)c2)c1	815387365	ZOQIYMKQGNDIBA-UHFFFAOYSA-N	323.255	1.503	50	20	DDGD	
COCC(=O)NN=C(C)CCc1ccc(O[C@H](C)C(=O)O)cc1	814870804	AHBVZEFZUOBBEX-GFCCVEGCSA-N	322.361	1.610	50	20	DDGD	
Cn1cc(C(=O)NNc2cc(Cl)nc(N)n2)c(C2CCC2)n1	819922357	BLWZUBCIBZGCPE-UHFFFAOYSA-N	321.772	1.470	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)c2cccn2C)ccnc1Cl	810298484	RNOXUTAERMTGDT-UHFFFAOYSA-N	307.741	1.848	50	20	DDGD	
COCCN(C)NC(=O)c1cc(Cl)c2c(c1)OCCO2	816562031	WIHBGFFUGXBBNN-UHFFFAOYSA-N	300.742	1.334	50	20	DDGD	
C[C@H](NC(=O)NNc1ncncc1F)c1nnc2ccccn12	814275102	NTTAPRRNFCNKGJ-QMMMGPOBSA-N	316.300	1.046	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)c2cccc(C)n2)C[C@H](CC)O1	817166515	BNLZHKDCIRZOEW-STQMWFEESA-N	320.393	1.634	50	20	DDGD	
C=CCC(F)(F)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	816597552	WJANDOAFTYYLPY-UHFFFAOYSA-N	313.260	1.779	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2cn(C)nc2O)o1	814219653	PQJKEOWWJPQUSH-UHFFFAOYSA-N	319.365	1.324	50	20	DDGD	
O=C(CCc1cncs1)NNc1nc(-c2ccncc2)no1	815237487	OCBWQGMVBHIQCJ-UHFFFAOYSA-N	316.346	1.664	50	20	DDGD	
CC(Cn1cccn1)=NNC(=O)[C@@H]1COc2ccccc2O1	814700898	HSQAAONNCOULDI-AWEZNQCLSA-N	300.318	1.215	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@@H](O)c1ccc(Cl)cc1	813439766	BZWYYDIIVQWMOH-AWEZNQCLSA-N	319.748	1.159	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C[C@@H]1COC(=O)C1	816485886	DMNLRGVZEAMDCK-QMMMGPOBSA-N	312.757	1.650	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2ccc(C)cc2)nn1C	817386652	SBLPLLHWHRMMHR-UHFFFAOYSA-N	301.350	1.373	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2cnn(C)c2Cl)ccn1	814844983	VDQHVDRGQADGDQ-UHFFFAOYSA-N	306.757	1.298	50	20	DDGD	
COCc1ccc(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	825632778	FWIDMLROROMCKX-BXUZGUMPSA-N	321.377	1.088	50	20	DDGD	
CCOCc1nc(C)c(C(=O)NNC(=O)c2ccc[nH]2)s1	822230177	XQLVTAVNBYCQBO-UHFFFAOYSA-N	308.363	1.391	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H]2CCC[C@H]2c2ccccc2)nc1O	824050253	BQCJELDTXNTKTD-QWHCGFSZSA-N	313.361	1.913	50	20	DDGD	
Cc1cc(NNC(=O)C2(c3ccccc3F)CC2)nc(N)n1	828367234	LDZWSFBKDCYHHS-UHFFFAOYSA-N	301.325	1.681	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1ccc(S(C)(=O)=O)cc1	490638021	LIYWMPPYPOGKFF-JLHYYAGUSA-N	322.386	1.150	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)c(C2CCC2)n1	820998847	GLPRJPNKGFGUSU-LBPRGKRZSA-N	306.366	1.018	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)C1CN(C(=O)OC(C)(C)C)C1	495594754	NSFDZCJXJZALBL-UHFFFAOYSA-N	321.381	1.311	50	20	DDGD	
Cn1cc(/C=C\C(=O)NNc2nc(-c3ccncc3)no2)cn1	726370725	JYKORAVMZGBBHL-IHWYPQMZSA-N	311.305	1.022	50	20	DDGD	
O=C(CCc1ccco1)NN=Cc1cc(-c2nn[nH]n2)cs1	822983886	WMDKDGVHTBDYCF-UHFFFAOYSA-N	316.346	1.604	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1ccc(Cl)cn1	496209105	USUDGLXYPRDFPY-UHFFFAOYSA-N	314.729	1.229	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCC1(c2ccccc2)CC1	825566083	DYADULGSSLQCQR-JSGCOSHPSA-N	317.389	1.474	50	20	DDGD	
C[C@@H]1COCCC1=NNC(=O)CCCNC(=O)OC(C)(C)C	492460876	YWACKFJOHONSDK-LLVKDONJSA-N	313.398	1.820	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@@H](Cc1ccccc1)C1CC1	828721804	GNQSTUBZPPZZHT-HNNXBMFYSA-N	303.406	1.401	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CC[C@@H](N3CCCCC3)C2)cn1	491053947	ZOSXYLRHFDISNV-QOBZYLRHSA-N	313.405	1.414	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccccc1[S@](=O)C(F)(F)F	822563557	MKVLNOYPMDLSAD-PPRQPISWSA-N	324.324	1.271	50	20	DDGD	
CCc1oc(/C=C(/C#N)C(=O)N[C@@H](C)COC)cc1C(=O)OC	490911589	VJKYELVCNZZFOK-OYUORYAFSA-N	320.345	1.687	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C	491528823	VZMWYLJLPFNLNG-MNOVXSKESA-N	313.398	1.483	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=O)c2cccc3cccnc23)CC1	822878691	LHZJCTDJCOWONX-UHFFFAOYSA-N	311.341	1.755	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cc(C(=O)O)c(Cl)s1	901259375	RHFIZVYHQROOEK-POYBYMJQSA-N	316.766	1.975	50	20	DDGD	
COCC[C@H](C)CNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	491129041	FYNSGEGSQXBXSD-CUTJPZLCSA-N	314.389	1.901	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCc1cn(CC)nn1	821727839	IFUZHEWNGJDJMC-UHFFFAOYSA-N	302.382	1.995	50	20	DDGD	
CNC(=O)NNC(=O)[C@]1(C(=O)OC(C)(C)C)C[C@H]2CC[C@H]1C2	823425114	LVHTWMMLOBZRDI-YHAQOWFVSA-N	311.382	1.095	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C\c1ccc(-c2nn[nH]n2)cc1F	821065188	GQSWZJGOGHQPSY-GHXNOFRVSA-N	314.324	1.829	50	20	DDGD	
CC[C@H](CNC(=O)c1ccc(B(O)O)c(F)c1)CC(F)(F)F	585002013	KKPXNYAWAYZPKZ-QMMMGPOBSA-N	321.079	1.214	50	20	DDGD	
CCOc1cc(NCc2cccc(B(O)O)c2)ccc1OC	585012038	KFYAIFVVVDJJSR-UHFFFAOYSA-N	301.151	1.386	50	20	DDGD	
Cc1cc(C)c(CCNC(=O)c2ccc(B(O)O)cc2)c(C)c1	584964817	JNQAHQGTMIQXNJ-UHFFFAOYSA-N	311.190	1.264	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C[C@@H](C)C(=O)c1ccccc1	732767297	ZSCNQVRRFZCAIU-SNVBAGLBSA-N	314.345	1.388	50	20	DDGD	
C[C@H](NC(=O)[C@@]1(C)C[C@@H]1Br)C(=O)NC(C)(C)C	906404951	PFYZKLCFNYZBLW-UBJUHAIHSA-N	305.216	1.579	50	20	DDGD	
Cc1cc(NNC(=O)c2cccc(C[S@@](C)=O)c2)ncn1	734254416	IWMRQSVMYYKYQY-OAQYLSRUSA-N	304.375	1.420	50	20	DDGD	
N#Cc1cccc(C(=O)NN[C@@H](C(=O)O)c2cccc(C#N)c2)c1	833074078	NVTMKSONKFLRSD-OAHLLOKOSA-N	320.308	1.490	50	20	DDGD	
C[C@@H]1C[C@@H]1c1ccc(CNC(=O)NNC(=O)[C@@H]2CCCCO2)o1	836227101	INCBMKKWEVZICO-OSMZGAPFSA-N	321.377	1.803	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCSc3ccc(F)cc32)cc1	585015373	XXNSTAQDQQIIQE-OAHLLOKOSA-N	317.194	1.832	50	20	DDGD	
CC(C)C(=O)NN=Cc1ccc(OCC(=O)O)c([N+](=O)[O-])c1	731557530	PQIBMPIREPLYHM-UHFFFAOYSA-N	309.278	1.164	50	20	DDGD	
O=C(NNc1c(F)cccc1F)c1ccc(-c2nn[nH]n2)nc1	738137011	LIQSHJOMUPNXEL-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(F)c(F)c1C	839513326	WZCUJELAJWEKFK-ZETCQYMHSA-N	313.304	1.405	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@]2(C)CCCCO2)cc1	837604204	MVPOOGRIRIIDNP-INIZCTEOSA-N	320.393	1.865	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@H]1CC[C@@H](C(=O)O)C1	831072143	LFBOVGURMIAWOM-BDAKNGLRSA-N	309.297	1.023	50	20	DDGD	
CO[C@@H]1CCCC[C@H]1c1nc(-c2ccc(B(O)O)cc2)no1	585055118	RILWNAVMRQKLSW-CHWSQXEVSA-N	302.139	1.089	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCCc2ccccc2CC1	831920892	YHBIFQBGWPIRHH-CYBMUJFWSA-N	303.406	1.423	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H](C)S(C)(=O)=O)c(Cl)c1	838527683	UMSXBOXLLWXZNG-SECBINFHSA-N	319.814	1.708	50	20	DDGD	
CCCCOc1cc(CN2CC[C@H](B(O)O)C2)ccc1OC	585077989	ZQBWFEWQMZWXCP-AWEZNQCLSA-N	307.199	1.923	50	20	DDGD	
CC(C)N(C)c1ccccc1CNCc1cccc(B(O)O)c1	585036167	BJEKYJYTYRWBSL-UHFFFAOYSA-N	312.222	1.501	50	20	DDGD	
CCC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)CCl)C1	830307429	QAMKZAABUFLECI-WDEREUQCSA-N	310.847	1.529	50	20	DDGD	
CSc1nc(O)c(C(=O)NNC(=O)C(C)(C)C)cc1C#N	917182617	LXWBHUFMHRSIGA-UHFFFAOYSA-N	308.363	1.188	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H](C)Cc2cnn(C)c2)n1	836630569	XNXSOQVMNBFTRK-LLVKDONJSA-N	303.370	1.084	50	20	DDGD	
Cc1ccc(C(=O)NN(C)C[C@@H](C)O)c(Br)n1	910160438	IGNPDYKQSQQKLZ-MRVPVSSYSA-N	302.172	1.110	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)C[C@@H](C)c2cnn(C)c2)n1	839692395	SAHCPDZOYOPZQT-MRVPVSSYSA-N	308.773	1.809	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1cc(F)ccc1O	916364666	RZHVTEQGHJROSB-LLVKDONJSA-N	323.368	1.340	50	20	DDGD	
Cc1c(NNC(=O)[C@@H](C)Cc2cnn(C)c2)cccc1[N+](=O)[O-]	837490576	VFUGKDGKWZJQPQ-JTQLQIEISA-N	317.349	1.959	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@](C)(O)Cc1ccccc1	746015397	TXWJDRULBIBUAD-GOSISDBHSA-N	312.369	1.750	50	20	DDGD	
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)NNC(=O)O	830060029	XQKFXYLDIFNTLL-UHFFFAOYSA-N	310.310	1.091	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc(Cl)nc1F)C1CC1	912160872	PFKQHDDIFHVPDP-LURJTMIESA-N	316.789	1.782	50	20	DDGD	
C[C@](O)(Cc1ccccc1)C(=O)NNC(=O)NC1CCCCC1	746094813	SVTCSPCYJZBTHX-KRWDZBQOSA-N	319.405	1.643	50	20	DDGD	
CC1=C(C)C(=O)N(CCC(=O)NNc2cccnc2Cl)C1=O	910399548	GAUFDKKBJXUKKS-UHFFFAOYSA-N	322.752	1.273	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)CCCc2ccccc2)nnn1C	841792718	XAQCRKANZUHVLQ-UHFFFAOYSA-N	316.365	1.299	50	20	DDGD	
Cc1ncc2n1C[C@H](C(=O)NNc1cccnc1Cl)CC2	846257194	NKTCNLSDSWTHJZ-SNVBAGLBSA-N	305.769	1.946	50	20	DDGD	
CC(C)CCOc1ccc(C=NNC(=O)C(=O)NC2CC2)cc1	744823760	FCGRIYPDUMBGIS-UHFFFAOYSA-N	317.389	1.840	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cc2c(s1)CCC2)[C@@H]1CCOC1	743652107	KQOQFHZKZQDTRU-MWLCHTKSSA-N	323.418	1.606	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)C1SCCCS1	841376201	PCKHSTNXYSDHCE-UHFFFAOYSA-N	314.407	1.712	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@@H]1c2c[nH]nc2CC[C@H]1C)C1CC1	912161178	QLIASRMXXAZXRY-KKFJDGPESA-N	321.450	1.369	50	20	DDGD	
CCCN1CCC(NC(=O)NNc2cncc(Cl)n2)CC1	745865846	UYNWNRDUXBXHNB-UHFFFAOYSA-N	312.805	1.631	50	20	DDGD	
CO[C@@]1(C)C[C@@H](NC(=O)NNC(=O)CC(F)(F)F)C1(C)C	745935398	LYPMMZDHTISHDL-HQJQHLMTSA-N	311.304	1.473	50	20	DDGD	
C=CCn1cc(C(=O)NNC(=O)c2cc3c(s2)CCC3)nn1	843753009	HZLPFYMKYBRBDO-UHFFFAOYSA-N	317.374	1.089	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNc1cc(O)nc2ncccc12	913994177	XGSAWBHSLMLAHQ-SNVBAGLBSA-N	302.334	1.760	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)[C@H]1CCc2ccccc2C1	846635597	QAYQZIJDBPTNIN-LBPRGKRZSA-N	308.345	1.601	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN(CC(F)(F)F)C1)C1CCCC1	919812408	CAGYLMJGNBWPND-NSHDSACASA-N	321.343	1.598	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2ccc(O)nn2)c1	913425412	CVIKLLYAIAOCJW-UHFFFAOYSA-N	317.374	1.430	50	20	DDGD	
Cc1nc([C@@H]2CCN(C(=O)[C@@]3(C)C[C@@H]3Br)C2)n[nH]1	910465526	VTBRWZKTLUONNZ-PTRXPTGYSA-N	313.199	1.603	50	20	DDGD	
Cc1ccncc1C(=O)NNc1nc2ccccc2c(=O)n1C	742077311	YIWFLSDSDUOMST-UHFFFAOYSA-N	309.329	1.394	50	20	DDGD	
COCCOCCC(=O)NNc1ncccc1C(F)(F)F	740091620	NUTWRXPSYKAWCS-UHFFFAOYSA-N	307.272	1.597	50	20	DDGD	
O=C(NN=C1CCc2ccc(F)cc21)[C@H]1CCS(=O)(=O)C1	748780355	IWGHCXALZRJUQM-JTQLQIEISA-N	310.350	1.027	50	20	DDGD	
Cn1ncc(C(=O)O)c1C=NNC(=O)C(C)(C)c1ccccc1	848405209	CSKXMFBPHOQGHB-UHFFFAOYSA-N	314.345	1.546	50	20	DDGD	
Cc1c(NNC(=O)c2ccc(C(N)=O)cc2)cccc1[N+](=O)[O-]	748681944	XLRSZBZKOIEMSE-UHFFFAOYSA-N	314.301	1.759	50	20	DDGD	
CSc1ccc(C)c(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	843643300	LZTBATJAYOWYFS-JQWIXIFHSA-N	308.403	1.903	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](NC(=O)NNc2ncnc3ccsc23)C1	840452240	HYWIVQGQCZDWHR-OCAPTIKFSA-N	321.362	1.269	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)CCN1C(=O)CCNC1=S	847752542	VMSAYSKEZQEPEB-UHFFFAOYSA-N	324.381	1.074	50	20	DDGD	
Cn1ncc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)n1	840733985	ZUWIVFXOPQRIQM-KAMYIIQDSA-N	322.372	1.071	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCCc1ccc2c(c1)CCCC2	845992291	IGRXKADZVCGVON-UHFFFAOYSA-N	318.417	1.806	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	910161738	AITJJFCOPHJRRW-ZETCQYMHSA-N	321.255	1.571	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H]2CC[C@@H]2C(N)=O)cc1	847288170	VZEBAUGCPSVOIS-STQMWFEESA-N	317.389	1.257	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1	745858224	NVRZCXNQIBUMRT-NWDGAFQWSA-N	320.393	1.122	50	20	DDGD	
O=C(Cc1ccncc1)NN=C1CCN(Cc2ccccc2)C1=O	747640531	CPNWZRPWKIWMBF-UHFFFAOYSA-N	322.368	1.529	50	20	DDGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)NC(N)=O)cc1	849210203	JBPNFWQFJUNJNM-CEXMDJMXSA-N	301.302	1.029	50	20	DDGD	
O=C(NCC[C@@H](O)c1ccccc1)NNC(=O)c1ccccc1	743522340	ZXNLYJPKDFTFDS-OAHLLOKOSA-N	313.357	1.754	50	20	DDGD	
C[C@H](CCCCN)NC(=O)NNC(=O)c1cc2ccccc2o1	841997928	YZSRSMLQZNCXEE-LLVKDONJSA-N	318.377	1.894	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H](C)Cc1cnc[nH]1)c1ccccc1	847482464	WLUMLFOZLZJXSW-WFASDCNBSA-N	314.389	1.930	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H](C)N1CCc2ccccc21	843660423	KGDZGYNRDKAXSI-DYEKYZERSA-N	317.389	1.010	50	20	DDGD	
O=C(Cc1coc2cc(F)ccc12)NNC(=O)c1ccncc1	748517300	SORMYDVZTMRQHA-UHFFFAOYSA-N	313.288	1.971	50	20	DDGD	
CC#CC[C@H](CO)NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	844118168	LBKLBXGTFDOOAH-KEQVLUGWSA-N	310.357	1.003	50	20	DDGD	
C[C@H](CCNC(=O)NNC(=O)[C@H]1CCC(=O)N1)CC(C)(C)C	858379679	IKWLASBDZRUDGX-GHMZBOCLSA-N	312.414	1.058	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=Cc1c(F)cccc1F	750945894	RLUFNMFXNADBSP-UHFFFAOYSA-N	323.324	1.906	50	20	DDGD	
CNC(=S)N(C)NC(=O)C1(c2ccc(OC)cc2)CCC1	854925107	BHTXMXFAQUFICJ-UHFFFAOYSA-N	307.419	1.584	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc[nH]n2)cc1C1CC1	855356872	TWWRESOXGXASJM-UHFFFAOYSA-N	300.318	1.371	50	20	DDGD	
CC(C)CC(=O)NCCC(=O)NC[C@@]1(C)C[C@H]1Br	857399512	WVMLLRUYYVNMAY-ZWNOBZJWSA-N	319.243	1.829	50	20	DDGD	
CCC(=O)N1CC[C@H](NC(=O)NNc2cc(F)ccc2F)C1	921484627	RPARIFNSYHCZLL-JTQLQIEISA-N	312.320	1.602	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CNC1(c2nccs2)CCCC1	751474464	DCIYULNKJXUIMY-UHFFFAOYSA-N	324.450	1.696	50	20	DDGD	
CCCN(C)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	852590498	PMYZQXUJSJJHRK-UHFFFAOYSA-N	300.403	1.012	50	20	DDGD	
CNC(=O)NN=Cc1ccc(-c2ccccc2C(=O)OC)o1	920378975	JYWFKAWVTQESOW-UHFFFAOYSA-N	301.302	1.996	50	20	DDGD	
CCN1CCN(C(=O)NC[C@@]2(C)C[C@H]2Br)CC1=O	856902671	JHUCUABWTVOWPN-BXKDBHETSA-N	318.215	1.034	50	20	DDGD	
Cc1c(Cl)c(C(=O)NNC(=O)OCC(F)(F)F)nn1C	856026088	LUVOFZNXLSWINR-UHFFFAOYSA-N	314.651	1.315	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(-c2ccccc2)nc1O	921038311	RKYFTNWYVZIHJJ-UHFFFAOYSA-N	314.345	1.808	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(N(CC)CCC)nc1	751371159	KWMRCUBWGOUMCY-UHFFFAOYSA-N	307.398	1.672	50	20	DDGD	
CO[C@]1(CNC(=O)NNc2ccc(Cl)cn2)CCOC1	852255869	KINUIZASKQHKJB-LBPRGKRZSA-N	300.746	1.167	50	20	DDGD	
C[C@](O)(Cc1ccccc1)C(=O)NNc1ncc(F)cc1F	857533378	WMUWNUKUXBGDHS-HNNXBMFYSA-N	307.300	1.797	50	20	DDGD	
C[C@H](Cc1cnc[nH]1)C(=O)NC[C@@]1(C)C[C@@H]1Br	857733262	IGRQAVVCVCPXIG-UBHAPETDSA-N	300.200	1.878	50	20	DDGD	
C[C@H](NC(=O)NC[C@]1(C)C[C@H]1Br)c1nc[nH]n1	856955092	VQPCKNYMPFUDLR-PJKMHFRUSA-N	302.176	1.338	50	20	DDGD	
Cc1nccn1CCCC(=O)NNC(=S)NCC1CCC1	855091284	KERFLDKBGPTIKB-UHFFFAOYSA-N	309.439	1.267	50	20	DDGD	
CC(C)(C)N1CC[C@@H](NC(=O)NNc2nc3ccccn3n2)C1	854315513	WWRZGSBITRPHOE-LLVKDONJSA-N	317.397	1.228	50	20	DDGD	
C[C@@H]([C@H](C)C(=O)NNc1cc(F)cc(Cl)c1)S(C)(=O)=O	855620106	KYVOJUOEUQPNDC-YUMQZZPRSA-N	322.789	1.991	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@@H]1Cc2cccc(O)c2C1	758172661	ANOWTOJHKLHYBN-LLVKDONJSA-N	303.811	1.798	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)co1	753982121	VXIACVZJTBXHOI-SECBINFHSA-N	321.308	1.605	50	20	DDGD	
CC(C)(C)OC(=O)[C@@]1(C(=O)NNc2ccncn2)CC1(C)C	854748082	WEMXFFLTFRMLGH-HNNXBMFYSA-N	306.366	1.678	50	20	DDGD	
COC[C@@H]1CN(C(=O)NC[C@]2(C)C[C@@H]2Br)CCO1	856898982	JRVQWSRCFRLCLG-NHCYSSNCSA-N	321.215	1.217	50	20	DDGD	
Cc1nc2n(n1)C[C@@H](NC(=O)NNc1cc(F)ccc1C)CC2	853647211	SRZGLDCKWQSPQB-LBPRGKRZSA-N	318.356	1.675	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(NC(C)=O)ccc1O	755165405	PWDCUQPDEUQRAN-UHFFFAOYSA-N	308.338	1.095	50	20	DDGD	
O=C(NN=Cc1ccc(OC(F)F)c(F)c1)C(=O)NC1CC1	754713088	BNEQIZJMSVKLMC-UHFFFAOYSA-N	315.251	1.156	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(Cl)ncc1F	935197336	BPTMQGQFLMETLY-UHFFFAOYSA-N	322.818	1.346	50	20	DDGD	
CC[C@@H](C)c1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1	862456646	QIPZSJXMYDKRPL-ZWNOBZJWSA-N	303.362	1.240	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1ncc2n1CCCC2	865085084	BYBDNBXEPVGGRA-UHFFFAOYSA-N	312.373	1.613	50	20	DDGD	
C[C@H]1Cc2cc(NC(=O)NNC(=O)[C@H]3CCCCO3)ccc2O1	933145978	MGNUISNGBSESER-IINYFYTJSA-N	319.361	1.732	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C2[C@@H]3CCCCCC[C@@H]23)n[nH]1	869019310	USQIZIYUKBMMNI-CHWSQXEVSA-N	304.394	1.624	50	20	DDGD	
CC(=NNC(=O)CS(C)(=O)=O)c1ccc(OC(F)F)cc1	863188755	LRQZIJGKTUEFPC-UHFFFAOYSA-N	320.317	1.173	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1ccc2c3c(cccc13)CC2	867255569	LZLDJEYJNLZRNA-UHFFFAOYSA-N	320.370	1.830	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNC(=O)CCCc1ccccc1	865143237	TVEANHLPRSKQIP-AWEZNQCLSA-N	305.378	1.071	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)C[C@@H](C)c2cnn(C)c2)c1	862480358	SRMALGSWSGPOLF-SNVBAGLBSA-N	306.391	1.745	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1c[nH]nc1C1CC1	769701984	XODJEQGVGXZTFM-UHFFFAOYSA-N	311.305	1.489	50	20	DDGD	
C/C(=C\c1cccc(Cl)c1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1	862457521	LCVWYOWSVMZWBW-CRALRDPISA-N	321.764	1.169	50	20	DDGD	
C[C@H](C[C@H]1CCOC1)NC(=O)NNC(=O)c1ccccc1O	760192248	IAOZPMUARZDLCK-GHMZBOCLSA-N	307.350	1.151	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)C(=O)Nc1ccc2[nH]ccc2c1	764070047	IAKGRHYMCQKODD-UHFFFAOYSA-N	314.345	1.444	50	20	DDGD	
C[C@@H](NNC(=O)C1CCC(NC(=O)C2CC2)CC1)C(F)(F)F	862316748	GMMQZWLXQHNTRH-MFAVDMRSSA-N	321.343	1.643	50	20	DDGD	
CC(C)CN(CC(=O)NNC(=O)C(C)(C)C)Cc1ccccn1	932446772	OBLGWPVTYRTNHS-UHFFFAOYSA-N	320.437	1.733	50	20	DDGD	
C[C@H](NNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)C(F)(F)F	862317739	LWZRWQNYMKDYBL-CABZTGNLSA-N	310.279	1.812	50	20	DDGD	
O=C(CCC(=O)c1ccc(Cl)cn1)NNc1ncccn1	769552968	VRSRHVLXWBTWJE-UHFFFAOYSA-N	305.725	1.631	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccnc1)c1csc(C)n1	763195111	KYDRXSQXOVJMRB-UHFFFAOYSA-N	317.374	1.117	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccc(SC(F)(F)F)o1	867672596	PJXKVRYPHVKWRT-UHFFFAOYSA-N	312.269	1.423	50	20	DDGD	
COCC(=O)NN=C(COC)c1cccc(C(F)(F)F)c1	761818350	IEEAFKKXCZNONM-UHFFFAOYSA-N	304.268	1.819	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccnn2CC2CCC2)n1	867923604	HOYLZMYEONRQRR-UHFFFAOYSA-N	313.361	1.461	50	20	DDGD	
COCCOCC(=O)NNC(=O)/C=C(\C)c1cccc(F)c1	869910216	PKODWRXGAAKRGS-DHZHZOJOSA-N	310.325	1.039	50	20	DDGD	
Cc1noc(C)c1CCC(=O)NNC(=S)Nc1ccccn1	768585912	WSNCPHMNOZMOGF-UHFFFAOYSA-N	319.390	1.637	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@H]2CCC(=O)[C@H](C)C2)c1	763259012	QDYFNUGGBCUWJQ-OLZOCXBDSA-N	318.373	1.527	50	20	DDGD	
Cc1nnc(NNC(=O)Cc2c(C)oc3ccccc23)nc1O	768688795	CYQFBFXEBLEDNC-UHFFFAOYSA-N	313.317	1.626	50	20	DDGD	
CN1CCC2(CC1)CC(=NN(C)C(N)=O)c1ccccc1O2	767908857	YENNVYDBZQVOKU-UHFFFAOYSA-N	302.378	1.648	50	20	DDGD	
Cc1nnc(CNC(=O)NNc2cc(F)c(F)cc2F)n1C	1116081445	QNVJUBVRNPEYSZ-UHFFFAOYSA-N	314.271	1.367	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccccc1OC(F)(F)F	872402764	DDCOTLUUUDLKQQ-UHFFFAOYSA-N	320.267	1.698	50	20	DDGD	
O=C(NNC(=O)C1CCC=CCC1)c1ccc2c(c1)OCCO2	873877364	PAKCHLVWBCLOBU-UHFFFAOYSA-N	316.357	1.965	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)C(C)(C)C)c1Cc1ccccc1	770227700	HQNNBSGJKYQNEF-UHFFFAOYSA-N	314.389	1.818	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@H]2CCCCN2C2CC2)cc[nH]1	875535817	YAJCIIMHADLBQI-OAHLLOKOSA-N	303.410	1.455	50	20	DDGD	
COc1cc(C=NNC(=O)CNC(=O)OC(C)(C)C)ccc1O	777904456	NWKFHHGLGSLGIW-UHFFFAOYSA-N	323.349	1.376	50	20	DDGD	
O=C(CN1C2CCCC1CCC2)NNC(=O)c1ccccc1	777592700	UDXUCWSTBRLCKS-UHFFFAOYSA-N	301.390	1.855	50	20	DDGD	
O=C(N[C@@H]1COCC[C@H]1O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	871190756	NRJRBJZFNRGDMP-FTEPDLOASA-N	318.211	1.206	50	20	DDGD	
CC(F)(F)CCC(=O)NNC(=O)CNC(=O)OC(C)(C)C	778445088	DZJKXSOZAUGPGO-UHFFFAOYSA-N	309.313	1.094	50	20	DDGD	
CC(C)(C(=O)NNC(=O)Cc1cc[nH]n1)c1ccc(F)cc1F	878755266	RNVUTPADWLMZDX-UHFFFAOYSA-N	322.315	1.356	50	20	DDGD	
CC[C@H](C)Oc1cc(C(=O)NNc2nnc(C)c(O)n2)ccn1	777522260	NRLRXDDLUMSIPU-QMMMGPOBSA-N	318.337	1.215	50	20	DDGD	
C#CCCCCC(=O)OCC(=O)NNC(=O)c1cccs1	773624999	COUIOPLGNPCYLT-UHFFFAOYSA-N	308.359	1.246	50	20	DDGD	
Cc1cc(=NNC(=O)NCC(C)(C)N2CCC[C@H](C)C2)cc[nH]1	875142947	TWHSHQIGUPYBOM-ZDUSSCGKSA-N	319.453	1.949	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)c2ccc(Cl)nc2)sc1C	770228617	AGBOADHKZRVLOG-UHFFFAOYSA-N	310.766	1.883	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CCc1ccc(OC)cc1	771873801	BTUPGMUZDHEWHQ-NSHDSACASA-N	322.361	1.117	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)c1cc2ccccc2cc1O)C(C)C	771716890	KZQRROXLSKWUQO-OAHLLOKOSA-N	316.357	1.977	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCc1csc(C(C)C)n1	875212415	WXTVAADMKIGUKA-UHFFFAOYSA-N	300.384	1.721	50	20	DDGD	
O=C(NNc1ncncc1F)C(=O)Nc1scnc1C1CC1	1117753690	XHCFJUFTWZZNHR-UHFFFAOYSA-N	322.325	1.031	50	20	DDGD	
COc1ccc(NCC(=O)NN=C(C)CCn2cccn2)cc1	776758611	PVSLZPVYBVKUKG-UHFFFAOYSA-N	315.377	1.886	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)Nc1ccccc1C)[C@H]1CCCO1	773545658	CDWZIINWDYDFAT-TZMCWYRMSA-N	316.361	1.512	50	20	DDGD	
C[C@@H]1CC[C@@H](C(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1	776285232	JZPZZWVBCZSOQD-JTNHKYCSSA-N	304.346	1.410	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2cccnn2)C[C@@H](C)C1(F)F	883854121	YFWVBZCQLMOOPE-RKDXNWHRSA-N	313.308	1.054	50	20	DDGD	
NCCOCc1cn([C@]2(Cl)C[C@H]2CCBr)nn1	881382422	LZMJOJZUWIARBZ-PSASIEDQSA-N	323.622	1.450	50	20	DDGD	
CC(C)(Oc1ccc(F)cc1)C(=O)NNC(=O)C1CCOCC1	883059553	BPJRVNPMKGCBFH-UHFFFAOYSA-N	324.352	1.557	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@H](NS(=O)(=O)CBr)C1(C)C	782476867	IFYKRNHCTOFHCV-BIIVOSGPSA-N	300.218	1.318	50	20	DDGD	
COCC(=NNC(=O)Cc1ccc(F)cc1)C1CCOCC1	780197504	YOMACJZGWCICRD-UHFFFAOYSA-N	308.353	1.913	50	20	DDGD	
Cn1cnc2cc(NC(=O)C(=O)NNc3ccccc3)ccc21	784764910	HDAMILMRMGJMCX-UHFFFAOYSA-N	309.329	1.655	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2ccc(Cl)nc2)n(C)n1	784871686	UTRSZOAJYNMTGS-UHFFFAOYSA-N	322.756	1.113	50	20	DDGD	
CC(C)N1CCC[C@H]1C(=O)NNc1nc2ccccc2n1C	899094911	AEJSWEYOUOSSOR-AWEZNQCLSA-N	301.394	1.889	50	20	DDGD	
O=C(CCc1ccc(O)nc1)NNc1cnnc2ccccc12	787885087	QAOJVELIYGNEMV-UHFFFAOYSA-N	309.329	1.806	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)C(=O)Nc1ccc(F)cc1	784870016	XPGVEHYDDYJXMX-UHFFFAOYSA-N	308.700	1.956	50	20	DDGD	
C[C@@]1(c2ccccc2)C[C@H]1NS(=O)(=O)CBr	782456285	YCCSCVZBMMQDGH-MNOVXSKESA-N	304.209	1.988	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C)cc1OC	781352628	HLBAKGGBROJUCN-SNVBAGLBSA-N	308.334	1.106	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1csc(-c2ccccn2)n1	798305701	BJLBSVBISKFEBA-UHFFFAOYSA-N	319.415	1.500	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)C(C)(C)C(F)F)nc2ccccc21	792018307	UQPVYUWDIFVWLS-UHFFFAOYSA-N	324.331	1.555	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cc2ccc3n[nH]cc3c2)cc1	793289010	JBRPQXFZFXWKFF-UHFFFAOYSA-N	319.324	1.438	50	20	DDGD	
O=C(NC[C@@H]1CCCCS1)NNc1nc2ccccn2n1	790474369	VHRWTUKQTRVBKY-JTQLQIEISA-N	306.395	1.641	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C1CCC[C@H]1CCF	794917816	JGSJPPXNIMMKAW-NSHDSACASA-N	306.341	1.443	50	20	DDGD	
CC(CN1Cc2ccccc2C1)=NNC(=O)C(=O)N1CCCC1	792636501	YXFBBYZTIVFRAI-UHFFFAOYSA-N	314.389	1.117	50	20	DDGD	
COc1cc(NNC(=O)[C@]2(O)CCSC2)ccc1Cl	790175479	JJLWMFMHMZFQJW-LBPRGKRZSA-N	302.783	1.660	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cccc(C)c1)CC1CCC1	796538508	DVQFKENGNJWPSU-UHFFFAOYSA-N	303.406	1.878	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1scc(C)c1Cl	791598918	YFDACUDMPPOVOF-SSDOTTSWSA-N	318.782	1.813	50	20	DDGD	
Cc1cncc(CCC(=O)NNC(=S)NCC2CCC2)c1	794274428	GTTMUBCOISHFEI-UHFFFAOYSA-N	306.435	1.618	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(OCCC(=O)NN=c2cc[nH]cc2)c1	798338223	GZAIETCSMVBTRO-UHFFFAOYSA-N	316.317	1.632	50	20	DDGD	
C[C@@H](CBr)CN1CCC2(CC1)CCN(C)C2=O	773925736	SBWMGKJGJLUUPH-NSHDSACASA-N	303.244	1.962	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(CCl)cc2)C1	916160940	KPFINWOSGWONPW-MNOVXSKESA-N	316.810	1.358	50	20	DDGD	
CC(C)CCO[C@H](C)C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1318099509	RCVOJWGVKDZRIN-LLVKDONJSA-N	322.409	1.501	50	20	DDGD	
Cc1cnn(CCC(=O)NNc2cncc(Br)c2)c1	1319526818	DSANKQMTPDKZCV-UHFFFAOYSA-N	324.182	1.882	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2ccccc2Cl)nn1C	1319971709	BEGZQJJWIOJCJS-UHFFFAOYSA-N	306.753	1.711	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)[C@H]1CCCCO1)c1ccc(F)c(F)c1	1324453950	MTVCBKINTMZUGS-NOZJJQNGSA-N	312.316	1.785	50	20	DDGD	
CC(CCc1ccc(OCCC(=O)O)cc1)=NNC(=O)CCO	1327801922	PGNUSTKGVJGEDK-UHFFFAOYSA-N	322.361	1.347	50	20	DDGD	
C[C@H](Sc1ccccc1C(=O)NNc1ncccn1)C(N)=O	1322689726	RRSVPFJKJQJNGK-VIFPVBQESA-N	317.374	1.199	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1c[nH]cc(Cl)c1=O	1321243747	MGTKHOWIEUEJDR-UHFFFAOYSA-N	308.681	1.693	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N[C@H]2CCC[C@H](F)C2)cc1	1328118569	BIOKEPBOJXGPBS-STQMWFEESA-N	304.325	1.783	50	20	DDGD	
Nc1cnnc(NNC(=O)NCCCOCC2CC2)c1Cl	1253131343	KLKRCANDEKOPML-UHFFFAOYSA-N	314.777	1.155	50	20	DDGD	
O=C(NN=Cc1cnc(C2CC2)nc1)c1n[nH]c2c1CCCC2	1261374935	YVPGXFQMYICKGP-UHFFFAOYSA-N	310.361	1.720	50	20	DDGD	
COc1cccc2c1OCCCC2=NNC(=O)c1cccnn1	1262036880	CPUHGXWISUFSEY-UHFFFAOYSA-N	312.329	1.792	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1C(C)=NNC(=O)C[N+](C)(C)C	1261650958	ZHUNOXXJODBJBV-UHFFFAOYSA-O	309.346	1.150	50	20	DDGD	
CCc1ccc(-c2nc(C(=O)NNC(=O)CO)cs2)cc1	1342319418	BAYJDGKZRBVJOA-UHFFFAOYSA-N	305.359	1.126	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cn(C)cc1C(F)(F)F	1342569937	MDZCNFYZYOISPO-UHFFFAOYSA-N	308.329	1.561	50	20	DDGD	
C[C@@]1(COC(=O)c2c[nH]c(C(N)=O)c2)C[C@@H]1Br	1344035692	KUDZAYJROKXQQL-KWQFWETISA-N	301.140	1.444	50	20	DDGD	
NC1CC2(C1)CC(NC(=O)NNc1cc(F)c(F)cc1F)C2	1353532146	VDSUXFLMJMBRLH-UHFFFAOYSA-N	314.311	2.000	50	20	DDGD	
O=C(CCc1cncs1)NNc1ccc(-c2nn[nH]n2)cc1	1609525290	CIDYSCZHIRRRKL-UHFFFAOYSA-N	315.362	1.399	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=C1CC[C@H](C(=O)O)C1	1607973834	PTTJPPMDHTWIIZ-JTQLQIEISA-N	300.318	1.613	50	20	DDGD	
Cc1ccc(-c2nn[nH]n2)cc1C(=O)NNc1ccc(C#N)cc1	1605791885	BTBBBAJGXNULIE-UHFFFAOYSA-N	319.328	1.804	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC(=O)O)cn1	1600945091	FJRVOXTUJNDJEF-AWNIVKPZSA-N	310.313	1.593	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(F)c(C(=O)O)c2)c(C)nn1	1600095247	MSRPEJOVNSNGPS-UHFFFAOYSA-N	304.281	1.688	50	20	DDGD	
O=C(NN=C1CCc2ccc(F)cc21)[C@@H]1CN2CCC[C@H]2CO1	1549316075	DYVZVPYHEMMKGE-BBRMVZONSA-N	317.364	1.455	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@]2(C)CCCN2)cc1	1575272749	MVYYPVUOTMSHDP-KRWDZBQOSA-N	303.406	1.887	50	20	DDGD	
CCn1c(NNC(=O)c2ccc(N)cn2)nc2ccccc2c1=O	1578342509	SYYSZSYZPHVFAC-UHFFFAOYSA-N	324.344	1.151	50	20	DDGD	
C[C@@H](CC(=O)NNc1cccc(-c2nn[nH]n2)c1)C(F)(F)F	1589792974	MUOQCXLNTSRQQK-ZETCQYMHSA-N	314.271	1.898	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN1)c1cccc(SC(F)(F)F)c1	1580732810	JZKGIRRFQPMYCW-SECBINFHSA-N	319.308	1.421	50	20	DDGD	
C/C=C/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843365769	IQXCZELVRQEOHK-XMVYOAFSSA-N	300.761	1.857	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])[C@@H]1CC[C@H]2CCCC[C@H]2N1	1580742983	LRILTOXJXVEZAM-UTUOFQBUSA-N	319.365	1.744	50	20	DDGD	
CC(C)NC(=O)/C(C#N)=C/c1c(F)cc(-c2nn[nH]n2)cc1F	1589719689	DMJSSEIMEBJYJA-YCRREMRBSA-N	318.287	1.576	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1ccc(C)c(-c2nn[nH]n2)c1	1590797501	SRQRXZROBBUFLQ-FMIVXFBMSA-N	312.333	1.235	50	20	DDGD	
C[C@H](OC(=O)/C(C#N)=C\c1cnn(C)c1)c1ccc(C(=O)O)o1	1593480372	ASJVJRAPYKLBJN-BVBCSLMJSA-N	315.285	1.923	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)C(C)(C)OC(C)=O	1599375971	JZXMVDMJBFMEET-UHFFFAOYSA-N	310.306	1.178	50	20	DDGD	
O=C(O)[C@@]1(C(=O)NNc2ncncc2Cl)C[C@H]2CC[C@H]1C2	1594867675	QHTJEAWABRSZQN-UPFKWVMWSA-N	310.741	1.464	50	20	DDGD	
C[C@@](O)(C(=O)NNc1ccc(C(=O)O)cn1)c1ccc(F)cc1	1593376323	YHNLRRKCNXRMGS-HNNXBMFYSA-N	319.292	1.270	50	20	DDGD	
CCN(CCNC(=O)NNc1cccc(C(=O)O)c1)C1CC1	1596334622	PFOFSWKRTXLNON-UHFFFAOYSA-N	306.366	1.495	50	20	DDGD	
N#C/C(=C/c1cccc(-c2nn[nH]n2)c1)C(=O)NC1CCCC1	1592662467	OBWQCGCOWAEAMO-LCYFTJDESA-N	308.345	1.832	50	20	DDGD	
COCC(=O)NN=Cc1c(O)c(C(=O)O)cc2ccccc12	1776048787	ZPVGLPXYDQWVBU-UHFFFAOYSA-N	302.286	1.340	50	20	DDGD	
COc1ccc(C)c(C=NNC(=O)N2CCOCC2)c1C(=O)O	1776039858	NQJUDSNIQPCZJB-UHFFFAOYSA-N	321.333	1.078	50	20	DDGD	
O=C(NNc1cccc(F)c1)[C@H]1CCCN(C(=O)C2CC2)C1	154654560	ZTBROMHGOLRJBN-LBPRGKRZSA-N	305.353	1.917	50	20	DDGD	
CCCc1[nH]nc(C(=O)NNc2ccc(OC)cn2)c1[N+](=O)[O-]	159464753	VYKFMXUMWIJURX-UHFFFAOYSA-N	320.309	1.431	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)c2ccc(CCCl)cc2)CC[C@@H]1O	167047113	LKZNPEYGIBMJCR-RISCZKNCSA-N	317.838	1.859	50	20	DDGD	
CN(C)C[C@@H]1CCN(S(=O)(=O)c2ccc(CCl)cc2)C1	688460470	WLBPNHLBOMYTJE-ZDUSSCGKSA-N	316.854	1.998	50	20	DDGD	
CC1([C@H]2CCCN(S(=O)(=O)CCCCl)C2)OCCO1	882063148	QYTUSTAQBKRIAC-NSHDSACASA-N	311.831	1.420	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1ccc(CS(C)(=O)=O)cc1	55010600	PMIUKGBMZZPQKY-GXDHUFHOSA-N	322.386	1.291	50	20	DDGD	
CNc1snc(C)c1C(=O)NNC(=O)c1ccccc1O	28667954	GBHDVBUGOFQMNX-UHFFFAOYSA-N	306.347	1.274	50	20	DDGD	
Cc1nn(C)cc1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	113013124	HGYWBWNPGVNDJN-SNVBAGLBSA-N	320.324	1.096	50	20	DDGD	
CCc1ccc(C(=O)NNS(=O)(=O)CCOC(C)C)cc1	177539599	ICAVVVNRFXTFGK-UHFFFAOYSA-N	314.407	1.238	50	20	DDGD	
CC(C)CO[C@H]1CCN(CC(=O)NNC(=O)c2ccccc2)C1	119513452	XROPPKOXDAZHHT-HNNXBMFYSA-N	319.405	1.195	50	20	DDGD	
Cc1nnc(NNC(=O)CCc2ccc(N(C)C)cc2)nc1O	23311215	NZLYTXBZWGYPEA-UHFFFAOYSA-N	316.365	1.028	50	20	DDGD	
Cc1nn(C)cc1CCC(=O)NNC(=O)CCc1ccccc1	115051161	IBSAAHDOAUBCMU-UHFFFAOYSA-N	314.389	1.441	50	20	DDGD	
C[C@@H]1SCCN(C(=O)NNC(=O)c2ccc(C#N)cc2)[C@@H]1C	118476972	LYFUXEADSSIPPN-MNOVXSKESA-N	318.402	1.738	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ncoc2C(F)(F)F)c1Cl	1348015631	XQPYABMIXZLUSZ-UHFFFAOYSA-N	322.634	1.476	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)CCSc1nnnn1C	118991912	OKZXQSWVTFHUOJ-UHFFFAOYSA-N	310.358	1.283	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)COc2ccc(C)cc2)CC1	174953151	KATYILNABKXSHK-UHFFFAOYSA-N	305.378	1.894	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@@H]1CCc2ccccc2C1	117499710	AFQYSPZZPVWAIG-GFCCVEGCSA-N	305.378	1.158	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1ccc([N+](=O)[O-])o1	66775742	KVTGPCSPQQTZIA-UHFFFAOYSA-N	307.237	1.331	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CC[C@@H](c3ccccn3)C2)cn1	1347925626	GRXOLOCXHUDWGF-QVTJDRNWSA-N	307.357	1.738	50	20	DDGD	
COC(=O)[C@@](C)(NS(=O)(=O)CCCCl)c1ccccc1	1260060286	MRNLDLCEYKDYIA-ZDUSSCGKSA-N	319.810	1.623	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)NC(C)C)cc1OCC	63270945	SDVGPXFHSUCWOO-UHFFFAOYSA-N	309.366	1.836	50	20	DDGD	
COc1ccc(CCCC(=O)NNC(=O)NCC2CC2)cc1	61431652	AMNSRUUAHVTOIS-UHFFFAOYSA-N	305.378	1.758	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)CCC(=O)c1ccccc1)C1CC1	175537798	IBIDVYGBPKRTKJ-NSHDSACASA-N	319.430	1.943	50	20	DDGD	
COC(=O)N1CC(NC(=O)NNc2cc(F)c(F)cc2F)C1	178754242	KEJLUPVYGCZQBT-UHFFFAOYSA-N	318.255	1.181	50	20	DDGD	
O=C(NCCc1ccccc1Cl)NNC(=O)[C@@H]1CCCO1	65503646	JJNWXKIWLGVYEA-LBPRGKRZSA-N	311.769	1.392	50	20	DDGD	
CC(C)CC[C@H]1CCC[C@@H]1NC(=O)NNC(=O)C(=O)NC1CC1	69883212	FZZKWUNZDWLDHV-YPMHNXCESA-N	324.425	1.200	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)CCN1	125596749	AOTAHXZFKKVOFR-SSDOTTSWSA-N	312.713	1.218	50	20	DDGD	
C/C=C/C[C@H](CO)NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	187180883	XQDIVGXQJBDVEW-JOHBAROJSA-N	312.373	1.555	50	20	DDGD	
O=C(NNc1ccncc1)Nc1ccc2c(c1)S(=O)(=O)CC2	186709581	PUBLUWPNDWMFLG-UHFFFAOYSA-N	318.358	1.560	50	20	DDGD	
CNC(=O)CCCN(C)C(=O)c1c(C)nn(CCCl)c1C	120078572	JGPQUPUYAJPPGH-UHFFFAOYSA-N	314.817	1.337	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)Nc2ccn(C)n2)cc1	184697724	BITMAJVEUVWLAP-UHFFFAOYSA-N	317.349	1.214	50	20	DDGD	
CC[C@@H](C)[C@@H](C(=O)NNC(=O)C(=O)NC(C)C)c1ccccc1	72937696	DEFYXEBQUZMKSW-TZMCWYRMSA-N	319.405	1.488	50	20	DDGD	
CC1CCN(C(=O)NNC(=O)COCc2ccccc2)CC1	128212728	ZAKQKMKRRVHGIB-UHFFFAOYSA-N	305.378	1.676	50	20	DDGD	
Cc1cccc(CC(=O)NNC(=O)COCc2ccccc2)c1	78192380	SBGWFKKLTWXLRG-UHFFFAOYSA-N	312.369	1.902	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Cc2c[nH]c3ccccc23)O1	122805717	NQPRHFVNOOLLDS-HZMBPMFUSA-N	301.346	1.425	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)/C=C/c2ccc[nH]2)c1	189540044	BQMBAOYCSXOJOX-BQYQJAHWSA-N	313.357	1.871	50	20	DDGD	
CN(c1ccccc1NC(=O)NNC(=O)CO)C1CCCC1	186679343	ANRROCGONRGKHY-UHFFFAOYSA-N	306.366	1.210	50	20	DDGD	
O=C(NNC(=O)c1cc(C2CC2)[nH]n1)c1ccc(Cl)nc1	77249134	YTGNOPFBRKLVDM-UHFFFAOYSA-N	305.725	1.410	50	20	DDGD	
COc1nccnc1NNC(=O)c1scnc1C(C)(C)C	132087546	USBKXGNNDIKPLJ-UHFFFAOYSA-N	307.379	1.996	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cccc(OCC(F)F)n1	89816588	HAOSUNKNDDGBNO-UHFFFAOYSA-N	315.320	1.923	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccncc2F)cc1C	130666713	BJSABGSVSSTOOD-UHFFFAOYSA-N	317.320	1.678	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	133274796	USGXEKSGNIGRIO-QWRGUYRKSA-N	312.341	1.556	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)Cc1nc2ccccc2n1C	132546517	JZIVNCXOACAGBC-NSHDSACASA-N	318.377	1.078	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2sc(S)nc2C)o1	84374236	GDKRTKXBUHWWBA-UHFFFAOYSA-N	311.388	1.645	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Cn2nc(C)c(Cl)c2C)n1	47304233	LMGNVTLHWXCGKC-UHFFFAOYSA-N	308.773	1.703	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)C[C@H]1CCCOC1	195009740	SBBWREIGDYIWKH-LLVKDONJSA-N	310.325	1.169	50	20	DDGD	
O=C(NNc1ncc(Cl)cc1Cl)[C@@]1(O)CCSC1	133100834	KNRJXAIFVAZDBH-SNVBAGLBSA-N	308.190	1.700	50	20	DDGD	
O=C(CSC(F)(F)F)NNC(=O)c1ccc(Cl)nc1	48791859	IIMCECKLVZRGEA-UHFFFAOYSA-N	313.688	1.749	50	20	DDGD	
CNC(=O)NCC(=O)NN=C(c1ccccc1)c1ccccc1	89564873	MRHCDEGZWGVAJI-UHFFFAOYSA-N	310.357	1.484	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(Br)nc1C	91188226	CXFLOPHWIHLQSO-UHFFFAOYSA-N	303.116	1.545	50	20	DDGD	
CCNC(=O)c1ccc(NC(=O)NNc2cnccn2)cc1	92426369	ICLROLCSOXZVHB-UHFFFAOYSA-N	300.322	1.375	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)n1	249518819	JBUUZQSWFFBMHC-QNWJLWSRSA-N	317.393	1.936	50	20	DDGD	
Cn1c(=NNC(=O)C2(O)CCSCC2)sc2ccccc21	255332075	GEALXWSQRKLJBR-UHFFFAOYSA-N	323.443	1.430	50	20	DDGD	
CCC1(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)CC1	267170867	CZZAFVYPOUOUQQ-UHFFFAOYSA-N	310.375	1.041	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@@H](OC)C(C)C	266786250	YRZWXVQEERZEHS-CYBMUJFWSA-N	309.366	1.310	50	20	DDGD	
CC[C@@H](OC1CCCCC1)C(=O)NNC(=O)c1ccccn1	268457717	SKOCKZXKJRBBHF-CQSZACIVSA-N	305.378	1.971	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)N[C@@H]1CCSC1	267318867	DBYNUIQLYMEPIT-SNVBAGLBSA-N	305.359	1.882	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)O1	268361919	UGKIRPOTEAEZJA-ZKYQVNSYSA-N	324.352	1.698	50	20	DDGD	
CNC(=O)CN(C)S(=O)(=O)c1ccc(CCCCl)cc1	263736523	DJWSWDVYUPTISA-UHFFFAOYSA-N	318.826	1.225	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)C1CCC1	264817627	WWBGEHGICKHVIB-NSHDSACASA-N	319.336	1.126	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C[C@H]2CCCCO2)c1O	268035885	ZUQBDCORIDSAPU-SNVBAGLBSA-N	308.334	1.121	50	20	DDGD	
COc1cccc2c1OCC[C@H]2NC(=O)NNc1cccnn1	363554787	AVPJELDUDVLBSC-LLVKDONJSA-N	315.333	1.635	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1nnc(C(C)(C)C)s1	268318026	IZNCYLDLZXMZSD-UHFFFAOYSA-N	313.427	1.712	50	20	DDGD	
C[C@@H]1Oc2ccccc2[C@H]1NC(=O)NNc1nc2ccccn2n1	365704510	PTYRWYGQSADZMY-HZMBPMFUSA-N	324.344	1.878	50	20	DDGD	
CCN1CCOC[C@H]1C(=O)NNc1cccc2c1CCCC2	367661747	MPZBSSZPKWRJPJ-INIZCTEOSA-N	303.406	1.729	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)C1(C#N)CCC1	274442737	SIVWQJAXLRUUTO-UHFFFAOYSA-N	323.374	1.236	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCCN(C(N)=O)CC1	273103244	BGBHSQXSMFNSLC-RAXLEYEMSA-N	316.336	1.346	50	20	DDGD	
Cc1ccc(-c2nnco2)cc1NC(=O)NNC(=O)CC1CC1	273467911	FCRRJIIMYLMFAC-UHFFFAOYSA-N	315.333	1.998	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1cccnn1	270108498	OZLPYHVXIYPXAV-JQWIXIFHSA-N	323.397	1.859	50	20	DDGD	
Cc1ccn(C[C@@](C)(O)C(=O)NNc2ccccc2F)c(=O)c1	279687498	BGCRBYBTIXKJHE-MRXNPFEDSA-N	319.336	1.190	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1nn(-c2ccccc2)cc1OC	272698306	SMOOQJQDYANMTD-UHFFFAOYSA-N	317.349	1.187	50	20	DDGD	
COCCOc1ccc(NC(=O)NNC(=O)CC(C)C)cc1	273283450	ATLJVNQFKQPYHP-UHFFFAOYSA-N	309.366	1.911	50	20	DDGD	
COCCOC1CCC(C(=O)NNc2ccc(OC)cn2)CC1	281874476	OMQSEJSCEOVHQJ-UHFFFAOYSA-N	323.393	1.755	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2ccccc2F)CCOCC1	289794353	LYDQTULBLFCTBK-UHFFFAOYSA-N	310.325	1.030	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cnnn1CC)c1ccccc1	293591226	FCSDPVQLUNCYJE-GFCCVEGCSA-N	301.350	1.253	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)c1ccccc1	293999100	UXFFHMLFKULSDD-UBHSHLNASA-N	306.362	1.479	50	20	DDGD	
COc1ccc2c(c1)[C@@H](C(=O)NNC(=O)[C@@H]1CCCO1)CC2	292175540	QAVFKMOFAACUIN-JSGCOSHPSA-N	304.346	1.051	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2c(Cl)nc3ccccn23)O1	293928186	NWDUGOPGKGSRMF-IUCAKERBSA-N	322.752	1.316	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNc1ccc(C(=O)OCC)c(C)c1	291366154	YLJBACDFYCNHDH-MRXNPFEDSA-N	306.362	1.942	50	20	DDGD	
COCc1cnc(NC(=O)C(=O)NNc2ccccc2)s1	806960877	HRAGOFDWRHHGLK-UHFFFAOYSA-N	306.347	1.371	50	20	DDGD	
NC(=O)COc1ccc(NC(=O)NNc2cccc(F)n2)cc1	806202957	XVODKRRCHQORDU-UHFFFAOYSA-N	319.296	1.233	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2c(C)coc2C)c1O	806550136	CAHCWZMGYGEPGP-UHFFFAOYSA-N	304.302	1.685	50	20	DDGD	
O=S(=O)(CBr)NCCCO[C@@H]1CCCCO1	808311523	IMAQFMLMYJEXLV-SECBINFHSA-N	316.217	1.192	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C2(C#N)CC(C)C2)cc1	802054352	JRUAGEJODSPBCL-UHFFFAOYSA-N	302.334	1.788	50	20	DDGD	
Cc1ccc(F)c(S(=O)(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	295214581	PWTPTCWCCBMBMU-ONGXEEELSA-N	316.354	1.011	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1	290898329	DRQPYUQTEAXRMY-AWEZNQCLSA-N	307.306	1.171	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1cnn(-c2ccncc2)c1	295244454	MBAVKSVMVIAPKM-UHFFFAOYSA-N	313.361	1.609	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)C(C)(C)c1ccccc1)C1CC1	296643196	MRIJNVUWLGUTCH-AWEZNQCLSA-N	319.405	1.720	50	20	DDGD	
C[C@](O)(C(=O)NNc1ncncc1F)c1ccc(Cl)cc1	817081583	GRTNVTSKCBLIDT-CYBMUJFWSA-N	310.716	1.620	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNC(=O)NCC2CC2)cc1	810584496	SECUPQFMZYTNAS-UHFFFAOYSA-N	305.334	1.217	50	20	DDGD	
Cc1nc2scc(C)n2c1C=NNC(=O)N=c1cc[nH]cc1	815003819	LRJIKZYMUMAKRH-UHFFFAOYSA-N	314.374	1.985	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCC(C)CC1)c1c[nH]nc1C	814763176	VGXIENVELNPLLH-GFCCVEGCSA-N	305.426	1.926	50	20	DDGD	
CCOCCCN1CCC(=NNC(=O)Cc2cc[nH]n2)[C@H](C)C1	814957952	XQQSFMYLVYPIJK-CYBMUJFWSA-N	321.425	1.193	50	20	DDGD	
COc1ccc(OCC(=O)NN=C(C)c2csnn2)cc1	814720608	SWTGTQZCEKEGLQ-UHFFFAOYSA-N	306.347	1.466	50	20	DDGD	
CCOc1ccc(NNC(=O)c2c([N+](=O)[O-])cnn2C)cc1	817915609	PSGDZOODXCPOLG-UHFFFAOYSA-N	305.294	1.484	50	20	DDGD	
O=C(NNC(=O)c1snc(Cl)c1Cl)c1ccc[nH]1	816824367	XCZPEHHDIRDDCM-UHFFFAOYSA-N	305.146	1.853	50	20	DDGD	
CCC(=NNC(=O)Cc1cc[nH]n1)c1ccc2c(c1)OCCO2	814955769	WVGBPPPIBTXYDD-UHFFFAOYSA-N	314.345	1.654	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CC1(F)F	817425035	WUBQTODEWGYGKJ-CYBMUJFWSA-N	312.272	1.264	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ncncc2Cl)n1C	816339551	CXAXSHPDSSWZHB-UHFFFAOYSA-N	309.713	1.012	50	20	DDGD	
O=C(NN=Cc1ccc2ccc(F)c(F)c2n1)C(=O)NC1CC1	814778223	VSLYLGPWSWPSBE-UHFFFAOYSA-N	318.283	1.242	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccccc1[S@](=O)C(F)(F)F	822563558	MKVLNOYPMDLSAD-ZEDNOMKYSA-N	324.324	1.271	50	20	DDGD	
CC1CCN(CCNC(=O)/C(C#N)=C\c2cnn(C)c2)CC1	491087260	WPNSPWHTJJIPLG-DHDCSXOGSA-N	301.394	1.175	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1cccc(Cl)c1	825517945	CBGKNKDEOIQISN-JOYOIKCWSA-N	311.769	1.595	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(C)nc2onc(C(C)C)c12	823852971	VKLVEYXYYBLWLY-UHFFFAOYSA-N	306.366	1.614	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc(Cl)nc1	726075889	IYYROWURDAQHCV-UHFFFAOYSA-N	316.814	1.223	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)SC	826108432	JLKUHXNSDZJOBQ-WDEREUQCSA-N	317.455	1.664	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)/C=C/[C@@H]1CCOC1)c1ccccc1	493614337	LUTOLPSIWYVBJV-HOMMJUPQSA-N	302.374	1.920	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	823934217	DOOBEQCLMCYFQN-FKTZTGRPSA-N	302.296	1.551	50	20	DDGD	
NCCCCC(=O)NNc1nc(-c2ccc(Cl)cc2)no1	829523085	UEYUMOJOEQXTLK-UHFFFAOYSA-N	309.757	1.962	50	20	DDGD	
COc1cccc([C@@H](O)C(=O)NN(C)C(=O)OC(C)(C)C)c1	496759164	NLRLSXXDKVPUBN-GFCCVEGCSA-N	310.350	1.627	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)NNc1cccnn1	495303089	ZFMBYFLRSKVYMK-GHMZBOCLSA-N	321.381	1.613	50	20	DDGD	
CCNC(=O)NN=C(C)c1ccc(NS(=O)(=O)CC)cc1	729637185	IETQDZLFKFPWOX-UHFFFAOYSA-N	312.395	1.491	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNc1ncc(Cl)cn1)C(C)C	824805175	PYSFQCLGNNXZGK-SECBINFHSA-N	300.746	1.408	50	20	DDGD	
CCCCOc1ccc(C(=O)NCB(O)O)cc1OCCCC	585061726	FYDCNAXZDQPQNT-UHFFFAOYSA-N	323.198	1.786	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1C[C@@H]1Cc1ccccc1	826075921	GXXXZDXPEUCOJJ-CYUUQNCZSA-N	317.389	1.373	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@H]1CC(=O)N(C(C)(C)C)C1	823151603	XCIZLLBTNPYVOU-SNVBAGLBSA-N	312.414	1.010	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C	496713530	DZZDREZTBAQITR-NEPJUHHUSA-N	315.414	1.241	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC[C@H](Cc2ccccc2)C1	827754054	XHTLEUDTTILWLM-MRXNPFEDSA-N	317.433	1.745	50	20	DDGD	
COc1ccc(F)cc1[C@H](C)NCc1ccc(B(O)O)cc1F	585017149	NLKDHUCQTYHSOW-JTQLQIEISA-N	321.132	1.504	50	20	DDGD	
CC[C@@H](C)n1nc(C(=O)Nc2cccc(B(O)O)c2)cc1C	584914342	VFLUXXKQYGIONV-SNVBAGLBSA-N	301.155	1.095	50	20	DDGD	
CC1(C)C[C@@](C)(NC(=O)/C(C#N)=C\c2ccc(O)cc2)C(=O)O1	491046952	HXTSXRRCHANANI-SAYIFAPPSA-N	314.341	1.900	50	20	DDGD	
Cc1cc(NNC(=O)c2cn(C)nc2C(F)(F)F)nc(C)n1	736716412	DBIWMXKOZHNUTI-UHFFFAOYSA-N	314.271	1.603	50	20	DDGD	
COc1ccc(CCCNCc2ccc(B(O)O)cc2F)cc1	585018763	RJDXZYDIKFIZTH-UHFFFAOYSA-N	317.169	1.237	50	20	DDGD	
C[C@H](Oc1cccnc1)C(=O)NNC(=O)c1ccccc1F	735422402	UTNAQDDHPIILDF-JTQLQIEISA-N	303.293	1.449	50	20	DDGD	
CCOC1(C(=O)NNc2c(F)cccc2F)CCOCC1	830782854	ZUERMWJIXOGTCS-UHFFFAOYSA-N	300.305	1.994	50	20	DDGD	
Cc1ccc([C@H](O)CNC(=O)[C@@]2(C)C[C@@H]2Br)o1	907015837	GXUIUMSCZDYITB-QRTLGDNMSA-N	302.168	1.911	50	20	DDGD	
CC(C)C[C@@H](C)OCCc1nc(-c2ccc(B(O)O)cc2)no1	585051089	UFBVEJONJYFXRU-GFCCVEGCSA-N	318.182	1.410	50	20	DDGD	
C[C@]1(CC(=O)NNC(=O)[C@H]2CCCCO2)CC1(Cl)Cl	833236636	UEOAIPDFDHXXOU-KCJUWKMLSA-N	309.193	1.677	50	20	DDGD	
CC1(C)CN(S(=O)(=O)CCl)C[C@](C)(C(F)(F)F)O1	831633061	ZGTBGLDDTXQTPK-MRVPVSSYSA-N	309.737	1.944	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C(C)(C)C1CCC1	830191232	YRQATBQHEFMPJH-UHFFFAOYSA-N	300.399	1.749	50	20	DDGD	
COc1ccc(C=O)c(OCC(=O)NNC(=O)C2CCCC2)c1	734421902	HFMNMBCOZATQIR-UHFFFAOYSA-N	320.345	1.224	50	20	DDGD	
C#CCOCCNC(=O)NNc1cccc(Br)n1	838548898	QJVNPYHMTFPBLO-UHFFFAOYSA-N	313.155	1.120	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](CCN)C(F)F	834832560	XBUWXOHITXVKIG-VIFPVBQESA-N	308.760	1.451	50	20	DDGD	
CCCN1C[C@H](C(=O)NNc2cccc3cnccc23)CC1=O	839710396	ZTFVKEKVACEVHF-CYBMUJFWSA-N	312.373	1.936	50	20	DDGD	
CCN(C)[C@H](C(=O)NNC(=O)[C@H]1CCCCO1)c1ccccc1	833250704	KFSGVTFRQWFIQZ-CABCVRRESA-N	319.405	1.396	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1c(F)cccc1F	730577474	IHIIWRPHMXSSJJ-SECBINFHSA-N	316.329	1.240	50	20	DDGD	
CC1CCN(C(=O)c2ccc(N3CC[C@H](B(O)O)C3)nc2)CC1	585072374	AHIMOWRMZYQXCC-AWEZNQCLSA-N	317.198	1.007	50	20	DDGD	
CCN1CCCN(C(=O)[C@]2(C)C[C@H]2Br)CC1=O	907650672	HAEKVACQPANONR-BXKDBHETSA-N	303.200	1.241	50	20	DDGD	
COC(=O)CC(=O)NNc1ccc(C#N)cc1C(F)(F)F	908000493	FRJDXAJKNCKTBZ-UHFFFAOYSA-N	301.224	1.583	50	20	DDGD	
C[C@@H]1CC[C@@]2(CCN(C(=O)c3ccc(B(O)O)c(F)c3)C2)C1	584974565	WEKICIYJPITKQW-BDJLRTHQSA-N	305.158	1.158	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)CCN1C(=O)CCC1=O	836931580	DGQGQMDOJHWRTM-UHFFFAOYSA-N	309.753	1.631	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(C)cc1C	831763126	CPFYJXYWHQZFFQ-VXGBXAGGSA-N	321.377	1.890	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1sc(C(C)(C)C)nc1C	915111997	SVAOZSSIFZNPMB-UHFFFAOYSA-N	322.434	1.868	50	20	DDGD	
O=C(NC[C@H]1CCCSC1)NNC(=O)[C@H]1CCCCO1	836460693	YQOSPBZRULXPDD-GHMZBOCLSA-N	301.412	1.029	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccc(N)cc2)cc(O)c1O	916264252	GJMBFPPYGUICCY-UHFFFAOYSA-N	301.302	1.453	50	20	DDGD	
COCCOCC(C)=NNC(=O)c1c(C)nc2ccccn12	741161160	JKKWVXLCDYFGSH-UHFFFAOYSA-N	304.350	1.411	50	20	DDGD	
C#CCOCCC(=O)Nc1cccc(NC(=O)NN(C)C)c1	843870885	RYEFDQHDCSGFDY-UHFFFAOYSA-N	304.350	1.263	50	20	DDGD	
COCCn1cc(C=NNC(=O)COc2cccc(C)c2)cn1	743425656	PBSYVLXKMTVPLO-UHFFFAOYSA-N	316.361	1.367	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CCOc2c(F)cccc21	740764102	ZDDGLEFZQXOKRP-UHFFFAOYSA-N	321.352	1.733	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C)C(=O)OCc1ccccc1	848256693	KIQGGNFXKWWEBS-SLQMCABGSA-N	302.330	1.678	50	20	DDGD	
CC(CN1Cc2ccccc2C1=O)=NNC(=O)[C@@H]1CCO[C@H]1C	842560998	OEXAPABWEDMAIS-GXTWGEPZSA-N	315.373	1.560	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cn(C)nc2C2CCC2)n1	840374593	UXKJIMOKINPTDZ-UHFFFAOYSA-N	316.365	1.552	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCCc2c(F)cccc21	748825444	VICSREAHKJMHIK-UHFFFAOYSA-N	307.369	1.772	50	20	DDGD	
C#CCCCCNC(=O)NNc1ncc(Br)cn1	847335391	ADPMZOHHJFVDSD-UHFFFAOYSA-N	312.171	1.669	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2cc3c(nc2O)CCCC3=O)c1	748029956	ZWXQGKGPHDHQCR-UHFFFAOYSA-N	322.324	1.935	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)C(=O)OC(C)(C)C)c(O)c1	840851925	UIRCVNOCXJFGSI-SNVBAGLBSA-N	322.361	1.439	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(CCO)c1ccccc1	746478279	QQOQPGYDWZPTLN-ZDUSSCGKSA-N	307.394	1.067	50	20	DDGD	
COC[C@H](C)NC(=O)NNC(=O)c1cccc2cccnc12	747536445	UHNUAFZVSOEPDG-JTQLQIEISA-N	302.334	1.214	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@H](C)c2c(C)noc2C)n1	749837307	GKKWOJPOONPIMF-SNVBAGLBSA-N	319.365	1.056	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCC3(CC2)CC3(F)F)n1	846717388	MDFVMCVGHBPISU-UHFFFAOYSA-N	324.331	1.866	50	20	DDGD	
COc1cc(Cl)cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	843662989	VSSDTHPMRZDGNW-QPUJVOFHSA-N	312.753	1.535	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1ccc(CC(=O)OC)cc1	846377513	FHNUOPRKAPZPTD-UHFFFAOYSA-N	321.377	1.152	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F	843650865	IAZUZJLQYSBBKB-KYVBTAMFSA-N	324.327	1.641	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)N[C@@H]1CCCNC1	841943412	NCOJWLWOBHOQGQ-SNVBAGLBSA-N	300.309	1.666	50	20	DDGD	
CCc1nc(SCC(=O)NNC(=O)C(C)C)sc1C	845327506	SUDGCOIDVLFEAG-UHFFFAOYSA-N	301.437	1.909	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)COc2ccccc2F)s1	755510143	CWRKBXUBZDHYMW-UHFFFAOYSA-N	322.365	1.877	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)COc2ccc(C#N)cc2)cn1	920984941	KJJQRFAYOICPRK-UHFFFAOYSA-N	311.345	1.694	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1O)C1CC1	855099483	HCLKWHYMGFMGDS-SSDOTTSWSA-N	324.362	1.208	50	20	DDGD	
CCC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccn(C)n1	758069594	NPWNWHLVKKFDIV-UHFFFAOYSA-N	301.306	1.872	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1C(=O)Nc2c(C)ccc(F)c21	750935526	VBPCGDWDPGUEQZ-UHFFFAOYSA-N	320.368	1.638	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@@H](C)c1cnn(C(C)C)c1	754805456	IVOHKGPOGWBDCO-QWHCGFSZSA-N	323.441	1.697	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(F)c2cccnc12	759204298	CRQQSJGLASNCNG-NSHDSACASA-N	319.336	1.876	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCc2nccs2)nc1	759721590	NONRRPKEUKNPTJ-UHFFFAOYSA-N	306.347	1.401	50	20	DDGD	
C[C@@H](Oc1ccccn1)C(=O)NNC(=O)OCC(F)(F)F	856026443	YYUCPLLDCDTASM-SSDOTTSWSA-N	307.228	1.169	50	20	DDGD	
CC1CCC(O)(CNC(=O)/C(C#N)=C/c2cnn(C)c2)CC1	856473913	DPHZLAPAMWOOJK-VGOFMYFVSA-N	302.378	1.384	50	20	DDGD	
CCOc1nccc(C)c1C(=O)NNC(=S)NCC1CCC1	855089834	ILXUIELCZFPHJY-UHFFFAOYSA-N	322.434	1.698	50	20	DDGD	
Cn1nncc1NNC(=O)C(C)(C)c1cc(F)cc(C#N)c1	857270574	HQJHNFSPBFFQNB-UHFFFAOYSA-N	302.313	1.247	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2(C(=O)C3CC3)CC2)c1C	855624729	TULPFOBBKCMYJR-UHFFFAOYSA-N	316.357	1.984	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cc3n(n2)CCO3)c1C	855624657	SFSPYXWFKWUJRD-UHFFFAOYSA-N	316.317	1.127	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(N)=C(C#N)C#N)c(-c2ccncc2)n1	920065539	VDAKDRUHKYCHGT-WUXMJOGZSA-N	301.313	1.649	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cn2c(n1)CCCC2	855089748	FBHVPJNUPOUMDP-UHFFFAOYSA-N	307.423	1.128	50	20	DDGD	
CC(C)(C)C=NNC(=O)Cc1csc(N2CCOCC2)n1	755598096	DAGZSJDWTGCFSP-UHFFFAOYSA-N	310.423	1.670	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1ccc(-n2cncn2)cc1	920829848	LVDJJTFOZCFOPL-UHFFFAOYSA-N	316.365	1.327	50	20	DDGD	
Cc1c(S(=O)(=O)NC[C@]2(C)C[C@@H]2Br)cnn1C	856753859	YYRCRQBLJJHLHT-UWVGGRQHSA-N	322.228	1.180	50	20	DDGD	
CO[C@H]1CN(C(=O)NC[C@]2(C)C[C@@H]2Br)C[C@H]1OC	856956205	VODXPOJIUYXWJW-WYFGTUCQSA-N	321.215	1.215	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCNc2ccccc21	850028449	AKEUTNQJDLDQPS-ZYHUDNBSSA-N	319.361	1.075	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CCc1cncs1	854388214	BEYCHJQJHVKPOV-UHFFFAOYSA-N	315.395	1.012	50	20	DDGD	
CNC(=S)N(C)NC(=O)C(F)(F)c1c(F)cccc1F	854923228	NJRGRMSPIIMWBD-UHFFFAOYSA-N	309.288	1.524	50	20	DDGD	
CCCNC(=O)NNC(=O)C(F)(F)c1cnc(Cl)c(C)c1	930791516	OPNKUIBPZOQRPH-UHFFFAOYSA-N	320.727	1.876	50	20	DDGD	
O=C(CN[C@@H]1CCC[C@H]1Cc1ccccc1)NNC(=O)C1CC1	755073107	WMHSWOPZQFANOA-JKSUJKDBSA-N	315.417	1.545	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C2CCC[C@@H]2c2ccc(F)cc2)N1	863149261	WAJWZRMVRXVODX-TZMCWYRMSA-N	303.337	1.844	50	20	DDGD	
CC(=NNC(=O)c1csc(N2CCOCC2)n1)C(F)(F)F	761770423	WFIOKGMOBUSMAD-UHFFFAOYSA-N	322.312	1.648	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C=NNC(=O)NCC2CC2)c1C	863083958	UPDKSQMVDJJLEK-UHFFFAOYSA-N	306.366	1.851	50	20	DDGD	
O=C(NNC(=O)c1ncc2n1CCCC2)c1ccccc1F	864444496	DPPQYMQASFKZFY-UHFFFAOYSA-N	302.309	1.433	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H](C)Cn1ccc(C)n1	865653739	XNMAYBUZCZKUTH-NSHDSACASA-N	316.361	1.297	50	20	DDGD	
COc1ccc2c(c1)OC[C@H]2CC(=O)NNC(=O)c1ccc[nH]1	760248432	ZEJYSYOSNGSDTO-SNVBAGLBSA-N	315.329	1.351	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1C[C@H](C)O[C@H](C)C1	767187160	KJNIWIOLUNGIKA-CLLJXQQHSA-N	305.378	1.895	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)C[C@H]2CC(=O)NC2=O)cc1	935303014	OJMSCZYVXHIKBN-SNVBAGLBSA-N	303.362	1.480	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2cscc2Br)N1	863149824	GLWQCEXBVMRXRW-QMMMGPOBSA-N	316.180	1.239	50	20	DDGD	
Cc1cc2c(cc1S(=O)(=O)NCC(Cl)Cl)OCO2	867469161	AHGYQDBYSGQFOL-UHFFFAOYSA-N	312.174	1.806	50	20	DDGD	
Cn1nc(C2CC2)cc1C(=O)NNc1cc(C#N)cc(Cl)n1	935184893	ZATAVFSZNNLXGY-UHFFFAOYSA-N	316.752	1.974	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc2c1ccn2C	764083773	KBGSSUCMQUUUQJ-JTQLQIEISA-N	316.361	1.310	50	20	DDGD	
C[C@]1(CNC(=O)c2nc(C3CC3)no2)C[C@H]1Br	866024893	XZENMBGGLXWTGG-RDDDGLTNSA-N	300.156	1.850	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C1(C#N)CC(C)C1	767733547	CESUNEDMBZVJJG-UHFFFAOYSA-N	315.373	1.715	50	20	DDGD	
O=C(NNC(=O)c1cccc(C2OCCO2)c1)c1cccnc1	763264258	UOEHCASCZRPPFG-UHFFFAOYSA-N	313.313	1.202	50	20	DDGD	
CN(Cc1ncc[nH]1)C(=O)NNC(=O)C(C)(C)c1ccccc1	868230024	XSEFYZNTAJWMLV-UHFFFAOYSA-N	315.377	1.560	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C/c1cccc(NC(C)=O)c1	864364710	GXOVBDWYEUGTHY-NGPAHMQLSA-N	301.346	1.703	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-]	768243403	DUMRVDBESJVCRW-UHFFFAOYSA-N	306.238	1.291	50	20	DDGD	
C[C@@H](Sc1nnnn1C1CC1)C(=O)NN[C@H](C)C(F)(F)F	862308744	HEEBLUXWNQPOBU-PHDIDXHHSA-N	324.332	1.060	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=CC[C@H]2CCOC2)n1	765556737	XRGULEHCHNWTLZ-LBPRGKRZSA-N	308.407	1.714	50	20	DDGD	
O=C(Cc1ccccc1)NCC(=O)NNc1nc2ccccc2[nH]1	768505599	VLIJXUPBTWIMKN-UHFFFAOYSA-N	323.356	1.365	50	20	DDGD	
COc1cccc(C(C)(C)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	869067510	BMWQNQLGYAZSKV-FZMZJTMJSA-N	320.389	1.545	50	20	DDGD	
Cc1sc(S(=O)(=O)N2CC=C(C#N)CC2)cc1[N+](=O)[O-]	767839660	VEZPOCMYMBEBRJ-UHFFFAOYSA-N	313.360	1.809	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2ccccc2C)o1	1116317981	NPVQGEYOFWXBCL-UHFFFAOYSA-N	302.286	1.449	50	20	DDGD	
COC(=O)[C@@H](C)n1cccc1C=NNC(=O)c1ccccc1O	774574702	IOJNKTUWEJUQKN-LLVKDONJSA-N	315.329	1.692	50	20	DDGD	
CC[C@@H](CSC)N(C)[C@H](C)C(=O)NNC(=O)CC(C)C	773705501	QDKHEQNIRVESRU-NEPJUHHUSA-N	303.472	1.642	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@](C)(CO)Cc1ccc(OC)cc1	874740388	JLVVHHMJGFISBY-VWILAXROSA-N	318.373	1.549	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CSCC#N)cc1C	873765908	ZFRGOVGMLUGBGQ-UHFFFAOYSA-N	308.432	1.878	50	20	DDGD	
CN1CCc2cc(C(=O)NNC(=O)c3ccc(C#N)cc3)ccc21	778622543	PSZLMVOQALDTBQ-UHFFFAOYSA-N	320.352	1.625	50	20	DDGD	
COC(=O)[C@H](NNC(=O)C1CCCC1)c1cccc(OC)c1	871870888	LBHLNYQJEBLSMC-CQSZACIVSA-N	306.362	1.720	50	20	DDGD	
N#CSCCCNC(=O)CCc1nc(-c2ccccn2)no1	773592549	BWACAZSZKYKICG-UHFFFAOYSA-N	317.374	1.785	50	20	DDGD	
O=C(Cn1ccccc1=O)NNc1ccnc(Br)c1	771542222	VZNRSECPPPWZQX-UHFFFAOYSA-N	323.150	1.149	50	20	DDGD	
OC[C@@H]1CN(Cc2ccc(OCCCCl)cc2)C[C@@H]1CO	877764870	NLUXDXMDNFXVTH-GASCZTMLSA-N	313.825	1.727	50	20	DDGD	
CN1CCCC[C@@H](C(=O)NNc2nc3ccccc3n2C)C1=O	879948345	BZBCWOJIHUIBGZ-NSHDSACASA-N	315.377	1.275	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(C(=O)OC)c(Cl)c1	878756313	MZZCWNINLASMJQ-UHFFFAOYSA-N	315.757	1.741	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1)c1cn(C)cn1	872337097	UFHSHEBRDXXXHH-UPJWGTAASA-N	321.425	1.006	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1CNC(=O)NNC(=O)c1ccccc1C	774659188	MCJCSKPGISFKIU-TZMCWYRMSA-N	305.378	1.754	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@H]2CC[C@H](C)C2)c1	776452644	IRBFEVOWGIBFMM-RYUDHWBXSA-N	305.378	1.691	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@H](C)CN2C[C@@H](C)O[C@H](C)C2)CCO1	773191407	QZZZAVHASUIHGX-AAVRWANBSA-N	311.426	1.403	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCc2sccc21)C1CCOCC1	883066750	IWZJBFUEWBGKTM-LBPRGKRZSA-N	308.403	1.742	50	20	DDGD	
O=C(NNc1ccc(F)cc1Cl)[C@H]1CCCS(=O)(=O)C1	885136900	KMSLQAZXHQFKCQ-QMMMGPOBSA-N	320.773	1.747	50	20	DDGD	
CNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C	775529787	WIQUQWIXMMLKKC-UHFFFAOYSA-N	312.351	1.669	50	20	DDGD	
CCC[C@@H](C(=O)OCC)S(=O)(=O)NCC(Cl)Cl	882328334	DOOCRQDUQFDDSG-ZETCQYMHSA-N	306.211	1.441	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)C1CCCCC1)c1c[nH]c2ccccc12	783514345	PEABRFIFJFLHJM-HNNXBMFYSA-N	315.373	1.870	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)c2cnccn2)c1	788253945	MHZSQBHYGDQGTL-UHFFFAOYSA-N	300.322	1.327	50	20	DDGD	
COC(=O)[C@H]1CSCCN1C[C@@H](CBr)C1CC1	887078909	GGXUTLRBASKAHW-GHMZBOCLSA-N	322.268	1.998	50	20	DDGD	
OC1(c2cn(/C(Cl)=C\CBr)nn2)CCOCC1	881310727	NZDDGPCDURQETF-OQYWKCLKSA-N	322.590	1.708	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1F)C1CCS(=O)(=O)CC1	885151065	UDSCMTWDXQQOHE-UHFFFAOYSA-N	322.308	1.372	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(Br)nc1OC	789378922	IQQUZISUQAUFSL-UHFFFAOYSA-N	319.115	1.245	50	20	DDGD	
CCCn1cc(C(=O)NNc2ccccc2C(=O)OC)cn1	782043710	ZUWIKEPUPKTFRE-UHFFFAOYSA-N	302.334	1.837	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCCOC(F)(F)F)cc1	788841396	NRFWWFDDZCGKHA-UHFFFAOYSA-N	316.239	1.039	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1ccc2c(c1)CCC(=O)N2C	785463538	QWLWBXHDTOSFPQ-UHFFFAOYSA-N	303.362	1.207	50	20	DDGD	
CN1CCC[C@H](N(C)C(=O)NC[C@]2(C)C[C@@H]2Br)C1	895921519	DUFIQCFQUNQMML-GVXVVHGQSA-N	318.259	1.896	50	20	DDGD	
O=C(Cc1cnn(-c2ccccc2)n1)NNc1ccnc(F)c1	781365623	ZVEKSFCABHROGD-UHFFFAOYSA-N	312.308	1.487	50	20	DDGD	
CCc1nnc(C(=O)NNC(=O)COc2ccc(C)cc2)s1	899946525	CXFUXIHOIVJTTG-UHFFFAOYSA-N	320.374	1.249	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2cccc(-n3cccn3)c2)CC1	790173203	DARXGZHWIBNFKO-UHFFFAOYSA-N	312.377	1.163	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)CBr)c2cccnc2O1	272806069	MDFAULXQRWNGJY-ZETCQYMHSA-N	307.169	1.351	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NC[C@@H]1CCN1C(=O)OC(C)(C)C	899236847	SVFPRVRJIFFFNG-MMRAYRKESA-N	309.366	1.556	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)C(C1CCC1)C1CCC1	796599949	JYCJMWGQDAMBQG-UHFFFAOYSA-N	323.437	1.655	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2csc3cncn23)n1	794072100	JWQOCAKNGYPHOS-UHFFFAOYSA-N	301.331	1.174	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2cnc(C(C)(C)C)s2)CC1	790176868	VZENRCAFHRDDNA-UHFFFAOYSA-N	309.439	1.732	50	20	DDGD	
C=CCC(C)(C)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	796473231	GFPDXRACYATHJA-UHFFFAOYSA-N	318.373	1.902	50	20	DDGD	
COC(=O)c1occc1C=NNC(=O)CNc1ccccc1F	794743810	REUCUHIRLWPFHK-UHFFFAOYSA-N	319.292	1.768	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)c1c(F)c(F)cc(F)c1F	795282238	CPHLQGYJKKPQAA-UHFFFAOYSA-N	314.260	1.209	50	20	DDGD	
Cn1ccc(CCC(=O)NNC(=O)c2ccc3ccccc3n2)n1	794200111	WBVMSSMZYNVYAH-UHFFFAOYSA-N	323.356	1.362	50	20	DDGD	
CC(C)OC(=O)CC[C@H](C)NC(=O)NNC(=O)C1CCCC1	792302995	CRQQHOPLDCGBNY-NSHDSACASA-N	313.398	1.627	50	20	DDGD	
COC(=O)[C@H](NNC(=O)c1cccc(C)n1)c1ccc(F)cc1	795468941	QEMAKNNHZXPFHS-CQSZACIVSA-N	317.320	1.678	50	20	DDGD	
CC(C)NC(=S)NNC(=O)Cc1cccc(OC(C)C)c1	1318099800	VDLMDNIRBWKMBN-UHFFFAOYSA-N	309.435	1.920	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCN1Cc1ccncc1)C1CCC1	1318488246	HDAKKJFTPSZAHW-HNNXBMFYSA-N	316.405	1.384	50	20	DDGD	
Cc1[nH]nc(C(F)(F)F)c1C(=O)NNC(=S)NC(C)C	1319296765	ZNIBNGWCKBHWIG-UHFFFAOYSA-N	309.317	1.254	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ncn(C(C)(C)C)n2)cc1	1323990287	XBNNXTCYXVFAQP-UHFFFAOYSA-N	317.349	1.117	50	20	DDGD	
O=C(NCCC1CCOCC1)NNc1nc2ccccn2n1	1324496641	XIMWOPWFFRLEPI-UHFFFAOYSA-N	304.354	1.172	50	20	DDGD	
O=C(CO[C@@H]1CCOC1)OC[C@@H](CBr)C1CC1	1328879314	SJUMRROHDLZFQA-GHMZBOCLSA-N	307.184	1.756	50	20	DDGD	
Cn1nc2ccccc2c1C(=O)NNC(=O)CC(F)(F)F	1320422175	BVOAEKKGWHQKQI-UHFFFAOYSA-N	300.240	1.287	50	20	DDGD	
Nc1cnnc(NNC(=O)CCCc2nccs2)c1Cl	1328605497	HCLIMUXNVQEVAI-UHFFFAOYSA-N	312.786	1.635	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccc(OC2CCC2)c(F)c1	1320510518	UTAKVSBYAPRRFW-UHFFFAOYSA-N	311.313	1.292	50	20	DDGD	
CCc1csc(CC(=O)NNC(=O)c2ccc(OC)cc2)n1	1322689500	NTFHGZAIEGHEJI-UHFFFAOYSA-N	319.386	1.718	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1ccc(C(C)(C)C)nn1	1323002050	SJXPBPYAGHCTAY-UHFFFAOYSA-N	323.397	1.696	50	20	DDGD	
C[C@@H](Sc1ccccc1C(=O)NNc1ncccn1)C(N)=O	1322689724	RRSVPFJKJQJNGK-SECBINFHSA-N	317.374	1.199	50	20	DDGD	
C[C@H](CBr)COC(=O)Cn1cc(C2CC2)nn1	1255065229	FJNXPHJVAWIISF-MRVPVSSYSA-N	302.172	1.730	50	20	DDGD	
Cn1cc([C@@H]2CN(C(=O)c3cccc(CCl)c3)CCN2)cn1	1339108175	WVZAWVBBQWWDSZ-HNNXBMFYSA-N	318.808	1.946	50	20	DDGD	
CN[C@H](C)CCNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	1331465723	CJVYVBPVAJFSMC-SFCYXTAJSA-N	322.453	1.531	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1337380803	KUEKPZVFNIJXKW-SNVBAGLBSA-N	308.382	1.112	50	20	DDGD	
CC1=NN(c2ccc(C(=O)NNC(=S)NC(C)C)cc2)CC1	1337468752	TYHMLFZMGXTVSB-UHFFFAOYSA-N	319.434	1.790	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=S)NC(C)C)cc1O	1348502633	STKIOAGHRKWOTH-FNORWQNLSA-N	309.391	1.318	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccsc1[N+](=O)[O-]	1345128828	GCXPXACRTRLHDM-LURJTMIESA-N	307.353	1.012	50	20	DDGD	
Cn1cc(CCC=NNC(=O)c2n[nH]c3c2CCCC3)cn1	1347934556	CHWYUAFYNLSDFB-UHFFFAOYSA-N	300.366	1.370	50	20	DDGD	
CC1=NO[C@@](C)(C(=O)NNc2cncc(Br)c2)C1	1353621393	UPWMPROAEZKOFJ-LLVKDONJSA-N	313.155	1.842	50	20	DDGD	
CCOC(=O)CC1(NC(=O)c2cccc(CCl)c2)COC1	1353835605	OIKTXMDKUPBOOV-UHFFFAOYSA-N	311.765	1.877	50	20	DDGD	
Cc1ccnc(CNC(=O)NNc2cccc(C(=O)O)c2)c1	1600600479	BBAMKCHVPRAKDA-UHFFFAOYSA-N	300.318	1.915	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCc1ccc(C(=O)O)o1	1603613289	XPAKUQOUVMIAPC-UHFFFAOYSA-N	309.771	1.662	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNc2ccc(C)c(C(=O)O)c2)n1	1600178702	FOEVJAKPKXBXLA-UHFFFAOYSA-N	302.334	1.650	50	20	DDGD	
Cc1cccc(NNC(=O)c2cscc2-c2nn[nH]n2)n1	1605919804	QDXJULDOQZUFRE-UHFFFAOYSA-N	301.335	1.389	50	20	DDGD	
O=C(NCC1=CCNCC1)NNc1ccc(F)c(C(=O)O)c1	1601477920	PDNTYCFUNHPMKD-UHFFFAOYSA-N	308.313	1.070	50	20	DDGD	
CO[C@@H]1CCCC(=NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	1609314136	COKXHMYUKJDDMV-CYBMUJFWSA-N	314.349	1.542	50	20	DDGD	
C[C@]1(COC(=O)c2cc(C(=O)O)no2)C[C@@H]1Br	1604583321	VGKHGRVAUDDSGF-OIBJUYFYSA-N	304.096	1.703	50	20	DDGD	
O=C(CCc1ccc(C(=O)O)cc1)NNc1ncncc1F	1601288221	CCPZOIXVIRXMPO-UHFFFAOYSA-N	304.281	1.390	50	20	DDGD	
C[C@@H](CC(=O)O)NC(=O)NNC(=O)CCCc1cccs1	1609885650	PFSVTOPWRVGTRI-VIFPVBQESA-N	313.379	1.264	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CCCC(=O)N2C)cc1C(=O)O	1607809741	BGUODJRBGYOGLM-GFCCVEGCSA-N	305.334	1.147	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)[C@H]2CCN2C2CCCC2)cc1	1608780563	PHCJZZMQUAJKCQ-OAHLLOKOSA-N	317.389	1.774	50	20	DDGD	
CCc1ccc(NNC(=O)Nc2ccn(CC(=O)O)n2)cc1	1610063585	AKSWNCIHGXYPFW-UHFFFAOYSA-N	303.322	1.679	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCO[C@H]1c1nccn1C)c1ncc[nH]1	1550695798	FVWAJBJIZBBQFQ-NWDGAFQWSA-N	316.365	1.151	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C[C@@H]2NCc3ccccc32)n1	1579750113	CIEFISYVZLKXMK-HNNXBMFYSA-N	310.357	1.386	50	20	DDGD	
NC1[C@H]2CCC[C@H]1CC(C(=O)NNC(=O)[C@H]1CCCS1)C2	1580159771	DKAPFMUIGGXVDQ-QTGKYELZSA-N	311.451	1.183	50	20	DDGD	
CCNc1ncc(C(=O)NNc2ncccc2C(=O)O)s1	1590037892	YIINOVKFIOQZNK-UHFFFAOYSA-N	307.335	1.425	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1snc(C)c1C(=O)O	1776024709	OTNRUYFAGDKSGR-UHFFFAOYSA-N	312.395	1.332	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccc2oc(C(=O)O)cc2c1	1776027234	MEJUIJADYCPVET-UHFFFAOYSA-N	317.301	1.106	50	20	DDGD	
C[S@](=O)Cc1cccc(C(=O)NNC(=O)c2ccccn2)c1	14049356	WDYXFMAUOYNIOK-JOCHJYFZSA-N	317.370	1.035	50	20	DDGD	
CCN(c1ccc(NC(=O)C(=O)NNC(C)=O)cc1)C(C)C	161229237	LWSGXXPBJDUSLD-UHFFFAOYSA-N	306.366	1.027	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNc1ncnc2nc[nH]c12	162268084	HRDIIXKUOAGPLI-SSDOTTSWSA-N	314.353	1.330	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNc2nccc(OC)n2)cc1	151943033	DICIZZIFWJVTEP-LLVKDONJSA-N	316.361	1.816	50	20	DDGD	
CCCC[C@@H](COC)NC(=O)NNc1cncc(Cl)n1	153795302	ANFCEUYITAGPAC-VIFPVBQESA-N	301.778	1.961	50	20	DDGD	
COc1ccc(NNC(=O)NCc2cccc([N+](=O)[O-])c2)nc1	157021527	QQLPNDXZRHUBSV-UHFFFAOYSA-N	317.305	1.825	50	20	DDGD	
CS[C@H](C)CC(=O)NNC(=O)c1cc(Br)c[nH]1	156187803	CLZHTJBDIUHSAK-ZCFIWIBFSA-N	320.212	1.680	50	20	DDGD	
CCCOc1cc(C)ccc1NC(=O)NNC(=O)CN(C)C	155798017	UQZLZXGTMDIKBT-UHFFFAOYSA-N	308.382	1.498	50	20	DDGD	
COc1ccc(NNC(=O)NC2CCN(C3CC3)CC2)nc1	156624837	LOUPQKDYQBZXCE-UHFFFAOYSA-N	305.382	1.343	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1cccc(-c2ncn[nH]2)c1	156927829	QENQUPYDQOTHFJ-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2c[nH]c3ccccc23)on1	159215454	WJXAPSFTZRGYIR-UHFFFAOYSA-N	300.274	1.239	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2Cc3cc(F)ccc3O2)nc1	159326122	XTCPPMZXNMKRQH-ZDUSSCGKSA-N	303.293	1.676	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@@]1(O)CCSC1	862289382	DGZSIEMHGGFQAY-CQSZACIVSA-N	310.375	1.154	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNc1nc(-c2ccncc2)no1	102159145	ABBQQOAPRYMJCN-UHFFFAOYSA-N	313.292	1.957	50	20	DDGD	
C=CCNC(=S)NNC(=O)C[C@@H](C)Cc1ccccc1OC	107360202	AGCAQARTNDYFFT-LBPRGKRZSA-N	321.446	1.945	50	20	DDGD	
CNC(=O)NNC(=O)CSc1nccn1-c1ccccc1C	56375508	CEFKXCWJMHJSLF-UHFFFAOYSA-N	319.390	1.233	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)/C=C/c2ccc(Cl)cc2)cn1	117679748	GHSRFYNOBPOGAX-QPJJXVBHSA-N	304.737	1.548	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	119772338	WMCYPMKEBXVVGM-ZUZCIYMTSA-N	312.341	1.292	50	20	DDGD	
CCc1nc(CC(=O)NNC(=O)Cc2ccccc2F)cs1	66774631	AIMKOYCZZCDTBM-UHFFFAOYSA-N	321.377	1.777	50	20	DDGD	
C[C@@H]1Cc2ccccc2CN1C(=O)NNC(=O)Cc1cccnc1	176394800	AWGGNNFSTRPKQV-CYBMUJFWSA-N	324.384	1.812	50	20	DDGD	
C[C@H]1CCC[C@H](NC(=O)NNC(=O)Cc2ccncc2)[C@@H]1C	176137886	JBHIIJPUPDDVOA-SCRDCRAPSA-N	304.394	1.779	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@H](ON)C(C)C	1341973632	MQABNCNFLCJIKX-NSHDSACASA-N	302.806	1.383	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNC(=O)c1cccnc1	172924970	XBSJIOUDXDZTPL-SNVBAGLBSA-N	315.377	1.072	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C[C@@H]2C[C@H]3CC[C@H]2O3)cc1	1348442676	OMENCJOUUZGNIK-IACUBPJLSA-N	304.346	1.414	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)COc1ccccc1O	171606471	GWMATEAKTIQROF-UHFFFAOYSA-N	314.341	1.551	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1	118976415	JKJAKHHWWVEOBZ-JTQLQIEISA-N	317.324	1.353	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)[C@H]1CC1(Cl)Cl	110682943	OAFGRNVPSFDOGP-SSDOTTSWSA-N	314.132	1.769	50	20	DDGD	
CCc1ncc(C(=O)NNC(=O)c2ccc(C)cc2O)s1	65216117	CGVPBANVPLAJAR-UHFFFAOYSA-N	305.359	1.794	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NC1CCN(CC(F)F)CC1	64256254	MIUBCIUQHTXOQN-UHFFFAOYSA-N	322.356	1.455	50	20	DDGD	
NC(=O)c1cnc(C(=O)NNc2cccc(F)n2)c(Cl)c1	1346773458	XMURFVQSTYXPJM-UHFFFAOYSA-N	309.688	1.125	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(-c3cccs3)n[nH]2)ncn1	172271754	KNFSLHJTCGNUJR-UHFFFAOYSA-N	300.347	1.994	50	20	DDGD	
C[C@H](C(=O)NNc1cc(F)c(F)cc1F)N1CCN(C)CC1	172087160	RNRBLSKQYXMMQN-SECBINFHSA-N	316.327	1.183	50	20	DDGD	
Cn1c(NNC(=O)CCC(F)(F)F)nc2ccccc2c1=O	173421012	SKDYAOLPQGAGLK-UHFFFAOYSA-N	314.267	1.719	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@@H]2C[C@@H]2C2CC2)cc1	175527393	DSOWSTOBQQKPSJ-ZIAGYGMSSA-N	302.378	1.951	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)[nH]n1	126761039	ARKJIBBMHRQYKH-UHFFFAOYSA-N	324.344	1.437	50	20	DDGD	
COCc1cccc(C(=O)NNC(=O)Cc2ccccc2F)c1	66775017	NRAQQBKEJWWCRT-UHFFFAOYSA-N	316.332	1.976	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCc1ccc2c(c1)OCO2	31023212	UUSUPCUBBBGXTB-UHFFFAOYSA-N	309.322	1.654	50	20	DDGD	
N#CCC(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1	185423689	CFYOPLKFNKABQP-UHFFFAOYSA-N	307.253	1.337	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cccc(-n2cccc2)c1	184820006	LBMLTMXZWOPWFH-UHFFFAOYSA-N	302.334	1.667	50	20	DDGD	
C[C@@H](CCc1ccccc1)NC(=O)NNC(=O)[C@@H]1CCCO1	79081286	CKQBAWDADUHSCZ-JSGCOSHPSA-N	305.378	1.517	50	20	DDGD	
C#CCNC(=O)NNC(=O)c1cc2c(s1)CCCCCC2	79264664	OEDWVMWJNQXNAU-UHFFFAOYSA-N	305.403	1.984	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2ccncc2F)cc1	78095392	STHQTNLHYTZXMI-UHFFFAOYSA-N	317.320	1.623	50	20	DDGD	
Cc1nccc(C(=O)NNC(=O)Cc2cccc3ccccc23)n1	79589345	YQIDVULDIMZFAX-UHFFFAOYSA-N	320.352	1.942	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(C)sc1C	77164003	CKBZOEWEZMMOSM-UHFFFAOYSA-N	311.407	1.431	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2ccc3c(c2)CCC3)ncn1	190128618	GUSDGAUJADEJIL-UHFFFAOYSA-N	311.345	1.356	50	20	DDGD	
CSC[C@@H](C)NC(=O)NNC(=O)c1c[nH]c2ccccc12	133466852	STQUOWMHCLGDCJ-SECBINFHSA-N	306.391	1.863	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(OC(F)(F)F)cc1	41962092	GBOXJOXWIZKOCB-UHFFFAOYSA-N	319.308	1.880	50	20	DDGD	
Cn1cnc(CNC(=O)NNc2cc(F)c(F)cc2F)n1	130426771	GNDZGJLAFLXKLZ-UHFFFAOYSA-N	300.244	1.059	50	20	DDGD	
CCc1nc(CC(=O)NNC(=S)NC(C)(C)C)cs1	139006993	JJLAQPKJKSUISR-UHFFFAOYSA-N	300.453	1.542	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(Br)c(F)c1	194940199	CNQVSSZYYMSQKC-UHFFFAOYSA-N	304.119	1.504	50	20	DDGD	
Nc1nccnc1C(=O)NNc1ccc(OC(F)(F)F)cc1	134281707	WWKBSHOQNVQLBS-UHFFFAOYSA-N	313.239	1.714	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1occc1Br	81785265	IMIRMSXCUOKCKW-UHFFFAOYSA-N	323.110	1.465	50	20	DDGD	
O=S(=O)(CCCCCl)N1CC[C@@H](N2CCCCC2)C1	88952343	PLLOJXNBXFBQBR-CYBMUJFWSA-N	308.875	1.895	50	20	DDGD	
COc1ccnc(NNC(=O)C(F)(F)c2ncccc2C)n1	194191575	MSKIUDZXARMWKV-UHFFFAOYSA-N	309.276	1.424	50	20	DDGD	
CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)NNc1ncccn1	92791782	BYEGAGCYGBZUTA-TUAOUCFPSA-N	307.398	1.942	50	20	DDGD	
COC(=O)N(C)CC(=O)NNc1nc(C(F)(F)F)cs1	268048119	YIYGERMOQJSDTR-UHFFFAOYSA-N	312.273	1.303	50	20	DDGD	
C[C@H]1CC[C@H](CCC(=O)NNc2nc(-c3cccnc3)no2)O1	266468257	RXPXIGJDKMHWKQ-CMPLNLGQSA-N	317.349	1.922	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NC(C)C)c(O)nc2ccccc12	267192960	LDCWVOIPGHAWQQ-UHFFFAOYSA-N	302.334	1.601	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H]1CCCC[C@H]1OC	266773998	QLKBOOVHKCPGSJ-TZMCWYRMSA-N	321.377	1.597	50	20	DDGD	
CC(=O)N1CC[C@@](C)(C(=O)NNc2cccc([N+](=O)[O-])c2)C1	366687976	IXNRYJLVDCUGLZ-CQSZACIVSA-N	306.322	1.296	50	20	DDGD	
O=C(NNC(=O)C1CC1)C(=O)Nc1ccc(Cl)c(Cl)c1	274047956	KMTKTCZCQPVXKA-UHFFFAOYSA-N	316.144	1.489	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(C)=O)c(OCCCOC)c1	276526408	BRARSQXROUDTNO-UHFFFAOYSA-N	324.377	1.672	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1	272635578	CJPWMQSBVJMCPK-UHFFFAOYSA-N	301.350	1.691	50	20	DDGD	
C#CCC1(C(=O)NNC(=O)Cn2nc(C)cc2C)CCCCC1	276211274	AVTSZLDTEBAIHC-UHFFFAOYSA-N	316.405	1.621	50	20	DDGD	
C[C@H](NC(=O)NNc1ncnc2ccsc12)c1ncnn1C	276982347	VBWXZMNWPSSVQS-ZETCQYMHSA-N	318.366	1.207	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC2CC2)c1Br	276913113	QOSHWMQTIDUZBM-UHFFFAOYSA-N	318.196	1.925	50	20	DDGD	
CC1(C(=O)NNC(=O)c2ccc(Br)s2)COC1	272775594	CXSIGYVKWYCJPN-UHFFFAOYSA-N	319.180	1.308	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc(CC(=O)OCC)c1	276100821	XYAXRCMQNSKERF-UHFFFAOYSA-N	322.365	1.490	50	20	DDGD	
Cc1cccc(NS(=O)(=O)CCCCCl)c1C(N)=O	276180880	FHJQHQAMIWOGCX-UHFFFAOYSA-N	304.799	1.855	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](C)OCc1cccc(OC)c1	271339373	JIOGJLXRACEQHR-LLVKDONJSA-N	309.366	1.293	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)CC(C)(C)OC	278725450	PIJAOOKBIFUJOM-UHFFFAOYSA-N	309.366	1.070	50	20	DDGD	
O=C(NNc1ncccc1F)[C@@]1(O)CCc2ccccc2C1	375951752	VFUUBTIXJXWFQF-MRXNPFEDSA-N	301.321	1.584	50	20	DDGD	
COc1cc(NNC(=O)C[C@@H]2CCCC(=O)N2)ccc1Cl	377863213	DHLJLGRGCKKLFG-VIFPVBQESA-N	311.769	1.851	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C12CCCN1CCC2	289477990	BMSYWBXZUWHMJR-UHFFFAOYSA-N	317.389	1.014	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1nccnc1C1CCC1	286851671	BDYDGSFEIIQFED-NSHDSACASA-N	308.382	1.629	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)CSc1n[nH]c(=O)[nH]1	281894113	YMJKYXJNCWAADY-UHFFFAOYSA-N	307.379	1.204	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2nccnc2C2CCC2)co1	286864576	CLKANKLAFBAOHQ-UHFFFAOYSA-N	301.306	1.193	50	20	DDGD	
CN(C)CC1(CNC(=O)NNc2ncccc2F)CCCC1	288666755	MEZFRDTWKBBDSA-UHFFFAOYSA-N	309.389	1.969	50	20	DDGD	
CC(C)OCCC(=O)NNC(=O)c1ccc(Cl)cc1O	298970635	NPOHEPIFAPTYKE-UHFFFAOYSA-N	300.742	1.622	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)N=c1cc[nH]cc1)c1cccnc1	802031324	DHHLGCCAOONOMW-CQSZACIVSA-N	313.361	1.491	50	20	DDGD	
CC(=NNC(=O)c1cccnc1)c1cccc(-n2ccnn2)c1	807943022	GTLBYRVAHGPWRZ-UHFFFAOYSA-N	306.329	1.816	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1cc2ccccc2c(=O)o1	806865048	NTVZOUFDCIONPF-UHFFFAOYSA-N	316.704	1.993	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1C[C@H](C)c2ccccc21	807957590	RJDKSHPFHMPXDK-KBPBESRZSA-N	315.417	1.982	50	20	DDGD	
Cc1nc2cccc(C(=O)NNC(=O)Cc3cccnc3)c2[nH]1	801877641	RTGDUMGUYOCSRQ-UHFFFAOYSA-N	309.329	1.270	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(CS(C)(=O)=O)cc1	299348301	IXQIKGSVSUAUJH-FMIVXFBMSA-N	308.359	1.614	50	20	DDGD	
Cc1cnn(CC(=O)NNC(=O)Nc2cc(F)cc(F)c2)c1	802000155	LQOBSHIMZXGORX-UHFFFAOYSA-N	309.276	1.323	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNC(=O)N=c2cc[nH]cc2)C1(C)C	802024927	NDJCACLJUBNVMN-YPMHNXCESA-N	318.377	1.298	50	20	DDGD	
O=C(NNC(=O)c1ccc2nc(O)[nH]c2c1)Nc1ccccc1	801986821	HUTQSRRVSIECPY-UHFFFAOYSA-N	311.301	1.735	50	20	DDGD	
Cn1cc(-n2cc(C(=O)NCC(Cl)Cl)ccc2=O)cn1	294596695	HSMHUGOVUOPTFJ-UHFFFAOYSA-N	315.160	1.105	50	20	DDGD	
CCc1ccc([C@H](COC)NC(=O)NNc2ncncc2F)o1	292526406	FHKVLOPOTIYWIP-NSHDSACASA-N	323.328	1.785	50	20	DDGD	
CC(C)COc1ncccc1C(=O)NNC(=O)[C@@H]1CCCO1	294133447	UDSMKEVJRHYIRT-LBPRGKRZSA-N	307.350	1.056	50	20	DDGD	
CCc1ccc(C#CC(=O)NNC(=O)c2ccc(C#N)cc2)cc1	814675923	WNWPYQPGSMGANS-UHFFFAOYSA-N	317.348	1.933	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1ccc2c(c1)OCCO2	813466087	ZWAZQLSOJHKYPD-UHFFFAOYSA-N	314.301	1.319	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccccc1Oc1cccnc1	816769502	LERDPUSXCFNVAZ-UHFFFAOYSA-N	310.317	1.759	50	20	DDGD	
CC(C)(O)CN1CCC(=NNC(=O)c2ccc(N)cc2)CC1	814213109	XUSNNVYZEPLKLB-UHFFFAOYSA-N	304.394	1.221	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NC[C@@H]1CCN(C(N)=O)C1	819786637	CLFPDHNSOHZJNO-IUCAKERBSA-N	320.231	1.313	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)NCCc2cccs2)on1	814818214	ITCQPALXYSCBRL-UHFFFAOYSA-N	322.346	1.399	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)C[C@H](C)n1cccn1	819522174	LRLRYZIUBCUMQY-LBPRGKRZSA-N	301.350	1.996	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)[C@H](C)CN1CCCCC1	811634809	BZXAMSACMDXVJU-OCCSQVGLSA-N	308.426	1.269	50	20	DDGD	
CC1(C)CN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C[C@@H](CO)O1	817626588	BQCIMOXNSCUNTR-QLBUUCPGSA-N	316.357	1.297	50	20	DDGD	
Cc1ccccc1NNC(=O)c1cn(C2CCOCC2)nn1	810019328	DXWJRRIMJNZXOU-UHFFFAOYSA-N	301.350	1.695	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)c1cn(C)c2ccccc12	812453134	QNAQOTXLDLNGPI-NWDGAFQWSA-N	317.389	1.858	50	20	DDGD	
Cc1ccc2nc(CNC(=O)NNc3ncncc3F)[nH]c2c1	814308420	LXPJIUMXZRVIGA-UHFFFAOYSA-N	315.312	1.627	50	20	DDGD	
CC(=NNC(=O)c1cc2c(s1)CCC2)c1cc(CO)on1	812223648	GPMCPQKDTHDMPS-UHFFFAOYSA-N	305.359	1.871	50	20	DDGD	
COc1ccc(NC(=O)NN=C(C)C[C@@H]2CCC(=O)N2)cc1	814997323	JHZHZSYWBHTSOC-LBPRGKRZSA-N	304.350	1.861	50	20	DDGD	
CCn1nc(C(=O)NN=CC2(C)COC2)c2ccccc2c1=O	814739535	SXWXHIZJDQBTPX-UHFFFAOYSA-N	314.345	1.169	50	20	DDGD	
CS(=O)(=O)c1ccc(C(=O)NNc2cccc(Cl)n2)o1	817004563	HPDUCHZSWQXCPX-UHFFFAOYSA-N	315.738	1.488	50	20	DDGD	
CCC(=O)NNC=C1C(=O)CC(c2cccc(OC)c2)CC1=O	814318684	RRYANWFQOWZNNV-UHFFFAOYSA-N	316.357	1.626	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H]2CCc3nncn3C2)c1	815857652	NFYIOBSKVINSDG-VIFPVBQESA-N	305.313	1.132	50	20	DDGD	
Cc1nn(C)c(N)c1C=NNC(=O)c1ccc(O)c(Cl)c1	814850012	UHNHUDQMLARVNY-UHFFFAOYSA-N	307.741	1.434	50	20	DDGD	
CC[C@H](C=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1	814782559	PDWNRRNHCHYDHE-TZMCWYRMSA-N	308.403	1.717	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNc1ccc(S(C)(=O)=O)cc1	812537055	YDOKRMIQROPHBY-GHMZBOCLSA-N	314.407	1.452	50	20	DDGD	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1cnn(CCCl)c1	728697562	RYDVURUNDAQXBT-MDWZMJQESA-N	316.748	1.583	50	20	DDGD	
Cn1c(=NNC(=O)c2cc(C=O)c[nH]2)sc2ccccc21	814888697	LORHIZLYPXBKES-UHFFFAOYSA-N	300.343	1.626	50	20	DDGD	
N#Cc1cccc(NNC(=O)NCc2nccn2C(F)F)c1	726709430	MXIZFVPKZNGBKB-UHFFFAOYSA-N	306.276	1.976	50	20	DDGD	
Cc1cc(NNC(=O)c2c(C)nsc2NC2CC2)ncn1	825854138	HDUNTQRKKWYWRF-UHFFFAOYSA-N	304.379	1.881	50	20	DDGD	
COC(=O)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCC1	496790001	ITMJUILRLVKERO-VIFPVBQESA-N	301.343	1.067	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)[C@@H](C)c1cccnc1	827297349	DXFDPDBXMBKYQA-GVXVVHGQSA-N	306.366	1.240	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@H](Oc2cccc(F)c2)C1	828786317	XIOBORNPXIHAPW-AWEZNQCLSA-N	323.368	1.082	50	20	DDGD	
O=C(C[C@@H]1CC[C@@H]2C[C@H]12)NNC(=O)c1ccc2c(c1)OCO2	822192658	WHYODGBUAYWXIN-SCVCMEIPSA-N	302.330	1.613	50	20	DDGD	
COc1cc(C=NNC(=O)Cc2cccnc2)cc2c1OCO2	728786330	YWGUPBSRVXBRNK-UHFFFAOYSA-N	313.313	1.512	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)/C=C\c1ccccc1Cl	727361780	KIJPQNAUXATNGN-CLFYSBASSA-N	317.798	1.854	50	20	DDGD	
COc1cc(C(=O)NN(C)[C@H](C)CO)cc(OC)c1C(C)C	823936029	YNJGKQSBLSAPEE-LLVKDONJSA-N	310.394	1.785	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1	823922984	NWILGCLHMPTCOZ-VXGBXAGGSA-N	311.813	1.510	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@@H](C)Oc1ccccc1	826002409	XIXDEGYQMZUZSK-DYEKYZERSA-N	321.377	1.209	50	20	DDGD	
CC(C)n1cncc1C=NNC(=O)CCNC(=O)OC(C)(C)C	496857286	MYRLQPUDCPZQSC-UHFFFAOYSA-N	323.397	1.829	50	20	DDGD	
COCCCNC(=O)NNC(=O)CC[C@@H]1CC1(Cl)Cl	823810943	XRQPGWTWWAETBZ-MRVPVSSYSA-N	312.197	1.327	50	20	DDGD	
CC(C)[C@@H]1CN(C(=O)/C(C#N)=C\c2cnn(C)c2)CCCO1	491106945	UIFDSUGNDSOVIA-GSHXUFRSSA-N	302.378	1.601	50	20	DDGD	
CC(C)OCc1ccc(CNCc2ccc(B(O)O)o2)cc1	585017373	VTCOFZFSGUZLFD-UHFFFAOYSA-N	303.167	1.174	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)Cc1ccc(C#N)cc1	827314620	HMOVCYKYYZLKRF-FZMZJTMJSA-N	316.361	1.156	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)Cc2ccc(Cl)cc2)CO1	827607151	PTOJVKYEZHGLFP-JOYOIKCWSA-N	311.769	1.390	50	20	DDGD	
C[C@@H]1CC[C@H](CCC(=O)NNc2cccc(-c3nn[nH]n3)c2)O1	824910984	ZSSZXPLZTIBELC-ZWNOBZJWSA-N	316.365	1.658	50	20	DDGD	
CCCNC(=O)OC[C@H]1CCCCN1C(=O)/C(C#N)=C/OCC	490938082	DTFNVKSQXAVEDZ-YPDDLIOESA-N	323.393	1.948	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H](C)n1ccc2ccccc2c1=O	822800435	YGCJMZJKHAEQCK-LLVKDONJSA-N	316.361	1.303	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)[C@@H]1C[C@@H]1C(=O)O	739344655	GUUFDZLGTWFXLX-KGLIPLIRSA-N	312.325	1.250	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1C[C@@H](c2cnn(C)c2)C(C)(C)C1	491085982	SPTJYDAIBINSDF-HCYCVZQXSA-N	302.378	1.816	50	20	DDGD	
C[C@H](CN1CCOCC1)NC(=O)/C(C#N)=C/c1ccc(O)cc1	490911415	VAOIXIGGISAZKZ-QQFZQELXSA-N	315.373	1.136	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=S)NC(C2CC2)C2CC2)cc1	734757505	CQMYUVCHDMQUQN-UHFFFAOYSA-N	314.414	1.856	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@H]1CCN1C(=O)OC(C)(C)C	496746379	UOWJOXZNARKUAY-SNVBAGLBSA-N	313.398	1.579	50	20	DDGD	
C[C@]1(C(=O)NCCCC(=O)NC2CC2)C[C@H]1Br	906230476	ZEUMUQPDNZQTBG-SKDRFNHKSA-N	303.200	1.335	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCCN1CCCCC1=O	730131678	FUANLXYJIPMNSE-UHFFFAOYSA-N	312.414	1.156	50	20	DDGD	
O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)c1ccc(B(O)O)cc1	584951182	VTSVPRGBDKNYSU-SJLPKXTDSA-N	323.201	1.508	50	20	DDGD	
O=C(NN=C(C[C@@H]1CCOC1)c1ccccc1)c1ncon1	901290164	QSNKPPGWJQKSJC-NSHDSACASA-N	300.318	1.630	50	20	DDGD	
CC(C)S(=O)(=O)Cc1cccc(NC(=O)NNC(=O)O)c1	736500420	YICCRNTXGIMSQZ-UHFFFAOYSA-N	315.351	1.314	50	20	DDGD	
COCCOc1ccc(C(=O)NNC(=O)c2ccccn2)cc1	732048613	AHFSRCRLUXLWJS-UHFFFAOYSA-N	315.329	1.182	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCCC12CCCCC2	584968628	ZRFRUXSLLHSLFT-UHFFFAOYSA-N	305.158	1.444	50	20	DDGD	
C[C@@H]1CC=C(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1	836572601	JPZXJDJKIJJRCS-SNVBAGLBSA-N	321.402	1.372	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)[C@H]1CC(C)=NO1	831418255	LFRHWXBFIXGTEA-LLVKDONJSA-N	323.374	1.100	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCC2CC(F)(F)C2)o1	836685170	JWAKXPIUCNWRFF-UHFFFAOYSA-N	301.293	1.967	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1)NC1CCCCC1	833149348	NTKZEOCXYNQFFO-GHMZBOCLSA-N	311.382	1.541	50	20	DDGD	
OB(O)c1ccc(CNc2ccc(OC3CCCC3)nc2)o1	585035044	XPLDSOFECMODAD-UHFFFAOYSA-N	302.139	1.288	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc(S(=O)(=O)CC2CC2)cc1	836219207	XXTGHQDEEXHQPD-UHFFFAOYSA-N	324.402	1.287	50	20	DDGD	
COc1cccc(C)c1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	831735617	RFYCUIKXSYRYEG-MNOVXSKESA-N	307.350	1.581	50	20	DDGD	
CC(C)C(=O)NNC(=O)CCSc1ccc2c(c1)OCCO2	737766948	WLGBJTKUMXXYOH-UHFFFAOYSA-N	324.402	1.743	50	20	DDGD	
CO[C@@H]1CC(=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)C12CCC2	834929323	LJQSSTFQGCVWGG-CYBMUJFWSA-N	318.333	1.852	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)CNC(=O)c1ccco1)C(C)(C)C	734526616	XNQLXITVLZGNTF-JTQLQIEISA-N	324.381	1.022	50	20	DDGD	
COc1cc(Cl)c(S(=O)(=O)NNC(=O)O)cc1Cl	737888792	IXSFZYUDLBAALQ-UHFFFAOYSA-N	315.134	1.463	50	20	DDGD	
CCc1n[nH]cc1C(=O)NNC(=O)Cc1ccc(Cl)cc1	917926331	WPKSRNOGZBGXOC-UHFFFAOYSA-N	306.753	1.629	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H](C)C2CCC2)c(OC)c1	837400645	VUKZBTOICWIKOK-SNVBAGLBSA-N	306.362	1.901	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNC(=O)c1ccc(CC)cc1	839466436	XMWVJRJNVYSBRU-ZDUSSCGKSA-N	306.362	1.599	50	20	DDGD	
COc1ccc2c(c1)CCCC2=NNC(=O)CN1CCCC1=O	916359088	IVMNJVUTGVYUNQ-UHFFFAOYSA-N	315.373	1.474	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNc2cccc(Br)n2)CO1	837213037	YTJMIBYSXUTBGR-HTQZYQBOSA-N	300.156	1.712	50	20	DDGD	
Cc1ccc(NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1	912596279	GQSSTKFVYIYBFR-UHFFFAOYSA-N	308.341	1.999	50	20	DDGD	
COc1c(C)cc(S(=O)(=O)NNC(=O)C(C)C)cc1C	915185222	XCUDJFGJJGYMPJ-UHFFFAOYSA-N	300.380	1.278	50	20	DDGD	
CN(C(=O)CNC(=O)NNc1ccccn1)C1CCCCC1	748666816	QAFLVUSOPHEQOA-UHFFFAOYSA-N	305.382	1.499	50	20	DDGD	
O=C(NC[C@@H]1CCCN1)[C@@]12CC[C@@H](C[C@H]1Br)C2	846665579	MVQICHNPTLGEQD-MEWQQHAOSA-N	301.228	1.808	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccn(-c2ccc(C)cc2)n1	847217832	POEOIXFVUXCTDW-UHFFFAOYSA-N	316.365	1.879	50	20	DDGD	
CSc1ccc(C(C)=NNC(=O)C(=O)NC(C)C)cc1F	741758840	INTKEXFHOBJIPG-UHFFFAOYSA-N	311.382	1.912	50	20	DDGD	
CCN1CC[C@@H](OC(=O)[C@@H](Br)C(C)(C)C)C1=O	849755788	BJQPZFUDFUGRBW-RKDXNWHRSA-N	306.200	1.960	50	20	DDGD	
Cc1c(NNC(=O)COC2CCOCC2)cccc1[N+](=O)[O-]	748673881	SEWHNMGZJZJMLU-UHFFFAOYSA-N	309.322	1.542	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1c(C)nn(C(C)C)c1C	746494802	UGTKLFUZNAMETN-UHFFFAOYSA-N	307.398	1.847	50	20	DDGD	
CNC(=O)NNS(=O)(=O)c1ccc2oc3ccccc3c2c1	919960820	ITJNCUCJSQKWQK-UHFFFAOYSA-N	319.342	1.708	50	20	DDGD	
COc1cccc(-c2cc(C(=O)NN(C)C[C@H](C)O)n[nH]2)c1	910159647	ABJMCEUNWJBWFA-JTQLQIEISA-N	304.350	1.043	50	20	DDGD	
COc1cccc(NCC(=O)NN=Cc2cc(C)nn2C)c1	841614447	LQUZBSAMNOFILU-UHFFFAOYSA-N	301.350	1.299	50	20	DDGD	
O=C(CO[C@H]1CCCNC1)NNc1ccccc1C(F)(F)F	843385835	YVSQGVAIMZDPEP-JTQLQIEISA-N	317.311	1.917	50	20	DDGD	
CC1(CNC(=O)NNC(=O)c2cccc(Cl)c2)CCNCC1	841970481	ZPHXDEKORNBDFM-UHFFFAOYSA-N	324.812	1.674	50	20	DDGD	
COc1ccc(C(=O)NN(C)C[C@@H](C)O)cc1OC(F)F	910171409	VXYDRSQUFKBSQO-MRVPVSSYSA-N	304.293	1.254	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc(-c2ccccn2)nc1	845300176	RJKCWLHASAXYCC-UHFFFAOYSA-N	311.345	1.498	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cc2cccc(F)c2o1	742057296	SOFICJOVIFDYFA-UHFFFAOYSA-N	307.281	1.259	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)Cc2cncn2C)c1	843869768	CFPFJQIRXGRVOU-UHFFFAOYSA-N	316.365	1.199	50	20	DDGD	
C[C@H](CN)NC(=O)NNC(=O)c1cc2c(s1)CCCCC2	841969139	IASJPHRYTSELOI-SECBINFHSA-N	310.423	1.308	50	20	DDGD	
CC(C)Cc1nc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cs1	843649402	USVHGQPKPPKMGG-UWVGGRQHSA-N	311.407	1.528	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)c2ccccc21)c1ccccn1	916246574	DNTYSWZAFFZQGO-UHFFFAOYSA-N	315.354	1.393	50	20	DDGD	
CC(C)=CCC[C@@H](C)CC(=O)NNc1ccc(C(N)=O)nn1	844135480	QSFFTVQWZZRFHE-LLVKDONJSA-N	305.382	1.791	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2ncc(Br)cn2)CO1	848322232	UUZOYWWOCSDLRI-NKWVEPMBSA-N	301.144	1.107	50	20	DDGD	
COc1cc(C)cc(C(=O)NNc2ncnc3[nH]cnc23)c1O	740746857	SXAFMUVZBZACOW-UHFFFAOYSA-N	314.305	1.132	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CC(C)C)cnn1-c1ccccn1	914756596	YVWVEWPRVDLLEK-UHFFFAOYSA-N	301.350	1.383	50	20	DDGD	
C[C@H](CNC(=O)NNc1ncncc1F)C(=O)OC(C)(C)C	848666775	CYFHIUGGYZCFLE-MRVPVSSYSA-N	313.333	1.220	50	20	DDGD	
COC1([C@H](C)NC(=O)NNC(=O)c2cccc(C#N)c2)CCC1	840453699	KSYCHKWNBGLLKZ-NSHDSACASA-N	316.361	1.460	50	20	DDGD	
CCOC(=O)c1ccc(C=NNC(=O)c2ccc(N)cc2)o1	748247924	ZDCOXOSMSWXYJV-UHFFFAOYSA-N	301.302	1.802	50	20	DDGD	
O=C(CCOc1ccc(F)c(Cl)c1)NNC(=O)NC1CC1	920766444	QJZOBTDGBFOWOT-UHFFFAOYSA-N	315.732	1.741	50	20	DDGD	
Cc1cnc(CCNC(=O)NNC(=O)[C@H]2CCCCO2)c(C)c1	847415795	GITBCXSAGOMIDT-CQSZACIVSA-N	320.393	1.140	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)[C@H](C)CN1CCC(C)CC1	749754502	AENOAPLRVYJAHF-OLZOCXBDSA-N	314.499	1.648	50	20	DDGD	
CCN1C[C@@H](CNC(=O)NNc2ccc(Cl)nc2)CC1=O	845492773	HVMLGADIHCPOMY-SECBINFHSA-N	311.773	1.230	50	20	DDGD	
CC(C)c1nnc(CCC(=O)NNC(=O)NC2CCCC2)o1	746839889	KJOHHXIPWCJCKZ-UHFFFAOYSA-N	309.370	1.399	50	20	DDGD	
COc1ccc(OCCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	843640507	OIPBQOPXOMPRPL-FZMZJTMJSA-N	322.361	1.037	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1ccc(N2CCOCC2)cc1	842553482	HNJQKRXAQLTBSS-XJKSGUPXSA-N	317.389	1.398	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)C[C@@H]1CCc2ccccc2C1	755289208	OMKDPPNYVBJMAQ-GFCCVEGCSA-N	312.373	1.295	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)c3ncc[nH]3)cc2C1	854241151	QFAXHRVFFXSHQQ-QMMMGPOBSA-N	304.375	1.671	50	20	DDGD	
C[C@@]1(CNC(=O)NCC2CCNCC2)C[C@H]1Br	857104168	MRNZLDUWONJZBH-PWSUYJOCSA-N	304.232	1.459	50	20	DDGD	
C[C@H](N)[C@@H]1CCCN(C(=O)NC[C@]2(C)C[C@@H]2Br)C1	857105584	NNISGWCTDWLHKJ-NOHGZBONSA-N	318.259	1.929	50	20	DDGD	
CC(C)c1ccc2c(c1)CN(CC(=O)NNC(=O)C1CC1)CC2	852406200	HORUVPRHZPQHCB-UHFFFAOYSA-N	315.417	1.726	50	20	DDGD	
C/C=C\C[C@H](CO)NC(=O)NC[C@]1(C)C[C@@H]1Br	856903640	RNFCPIGVILZEBK-YNRZXHDTSA-N	305.216	1.786	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2ccc(Cl)cn2)[C@H]1OC	852264893	RMRPSNITUFHHSR-HOSYDEDBSA-N	314.773	1.554	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@]2(C)CCOC2)c1	754352292	YMIIWTJKYUMBPC-INIZCTEOSA-N	306.362	1.256	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CCCS(=O)(=O)C2)ccc1Cl	928340146	RWTUQVDAJGQZNP-SNVBAGLBSA-N	316.810	1.916	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)OCc2noc(C3CCC3)n2)cn1	859709276	OSGMMFNPGDBVNS-LFYBBSHMSA-N	313.317	1.721	50	20	DDGD	
O=C1CC[C@H](CC(=O)NNc2ccc([N+](=O)[O-])cc2F)CN1	855624038	ZBYKMPSSSZBDMM-MRVPVSSYSA-N	310.285	1.093	50	20	DDGD	
CNC(=S)N(C)NC(=O)C[C@@H](C)N1CCc2ccccc21	854928738	MEUXECMURCEHHH-LLVKDONJSA-N	306.435	1.295	50	20	DDGD	
CCO[C@H]1C[C@H](NCC(=O)NNC(=O)C2CC2)C1(CC)CC	759438822	WQQPKRYYBYWOQH-STQMWFEESA-N	311.426	1.117	50	20	DDGD	
O=C(Cc1ccn(-c2ccccc2)n1)NNC(=O)C1CCCC1	756910888	DMYRWKGRKPCUMG-UHFFFAOYSA-N	312.373	1.752	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2CC(F)(F)C2)cc1OC	753562613	JRRGHUKJIYLXHS-UHFFFAOYSA-N	314.288	1.510	50	20	DDGD	
O=C(NN=C1CCN(C2CCCCC2)CC1)C(=O)NC1CC1	920372972	KYKAVTWVEVNHFH-UHFFFAOYSA-N	306.410	1.166	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(SC)c([N+](=O)[O-])c1	854928266	QSHMVBOQJRMBDZ-UHFFFAOYSA-N	314.392	1.398	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1nnc(C(C)(C)C)s1	756152650	PUHSOHGEADLCCN-UHFFFAOYSA-N	301.372	1.025	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)[C@@H]1CCCN(C(=O)C2CC2)C1	855469107	TUTRMGDRZCLQHF-LLVKDONJSA-N	322.796	1.827	50	20	DDGD	
CN(C)C(=O)NNC(=O)C1(N(C)C(=O)OC(C)(C)C)CCC1	858908260	YMRNXNPELRXABT-UHFFFAOYSA-N	314.386	1.078	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@H](CCO)C2)C[C@H]1Br	856952389	BTKSNNBVYHSCCO-NQBHXWOUSA-N	319.243	1.964	50	20	DDGD	
CSSCCNC(=O)N1CCC(N2CCOC2=O)CC1	852313863	ACXOFJYWKBIJIA-UHFFFAOYSA-N	319.452	1.624	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@H]1CCOc2ccccc21)C1CC1	855101091	PAIWFGICMLFKAM-MFKMUULPSA-N	319.430	1.847	50	20	DDGD	
O=C(NCC1CCN(CC2CC2)CC1)NNc1ncccc1F	852704637	FQGREDUDUFKPAB-UHFFFAOYSA-N	321.400	1.969	50	20	DDGD	
CCn1nc(C(=O)NC[C@]2(C)C[C@H]2Br)ccc1=O	857398322	QERMTBBPZMATRH-SKDRFNHKSA-N	314.183	1.167	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnc(C2CCCC2)nc1N	854185558	BOQQAJIQYIBDBH-UHFFFAOYSA-N	320.422	1.011	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2cc(F)ccc2O)cc1	755602282	VQXCTYPMJJHNDA-UHFFFAOYSA-N	315.304	1.929	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCCc1ccoc1	852558497	AXPRNMSENTUAKV-UHFFFAOYSA-N	317.345	1.404	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCC(C)(C)S(C)(=O)=O	853822351	MCVGCWGBBGLJTP-UHFFFAOYSA-N	317.386	1.583	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NCC1=CCCC1	852132529	XSUXOTWAGRZKSY-UHFFFAOYSA-N	303.362	1.644	50	20	DDGD	
Cc1ccc([C@@H]2C[C@H]2C(=O)NNc2nccn(C)c2=O)cc1C	857144858	UKLVJTSVFMKBHH-UONOGXRCSA-N	312.373	1.644	50	20	DDGD	
CCN(CC(=O)NNC(=S)N[C@H](C)C1CC1)c1ccccc1	855102603	KQEHMEMUZWNRGS-GFCCVEGCSA-N	320.462	1.807	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccc(Cl)cn1)Cn1cccn1	851993399	RRDBIVXCDJQBBV-JTQLQIEISA-N	308.773	1.894	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cccc3nccn23)nc1	759739603	MQIMJNOAXDSPAA-UHFFFAOYSA-N	311.301	1.273	50	20	DDGD	
CC(C)C(Cc1ccc(F)cc1)=NNC(=O)[C@@H]1CCC(=O)N1	863148693	IFXZUZCNLVQTFQ-ZDUSSCGKSA-N	305.353	1.775	50	20	DDGD	
C[C@@H](NNC(=O)Cn1ccc2ccccc2c1=O)C(F)(F)F	862318082	OVFRYSVGWUXBCM-SECBINFHSA-N	313.279	1.573	50	20	DDGD	
C[C@H](NNC(=O)CCOc1ccc(C(N)=O)cc1)C(F)(F)F	862310685	DCSWJWKPWQVASK-QMMMGPOBSA-N	319.283	1.126	50	20	DDGD	
Cc1ccccc1C[C@@H](C)C(=O)NNC(=O)N1CCN(C)CC1	861570738	KVSMRYCBZDZIKV-CQSZACIVSA-N	318.421	1.162	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)CC(C)(C)CCl)CC[S@@](=O)C1	867193598	QCBPUKHEMDGENL-DYZYQPBXSA-N	315.888	1.282	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1CCCc2nc(O)ccc21	764663227	QTYSICGGFJZIHS-UHFFFAOYSA-N	304.394	1.676	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNc1nc2ccccc2[nH]c1=S	862291230	HMRYZDWEMROUMR-QMMMGPOBSA-N	319.390	1.650	50	20	DDGD	
CCc1ccc([C@H](C)CC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1	862454512	HMYWYEKGXVLTTC-BXUZGUMPSA-N	317.389	1.169	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)CNC(=O)c2ccncc2)c1	760147930	VQNGWGJPCVWHTB-UHFFFAOYSA-N	302.309	1.402	50	20	DDGD	
COC(=O)Cc1sccc1C(=O)NN[C@H](C)C(F)(F)F	869376845	LSCCZOIGCZZYAI-ZCFIWIBFSA-N	310.297	1.649	50	20	DDGD	
CC[C@H](OC1CCCCC1)C(=O)NNC(=O)Cc1cc(C)[nH]n1	869013752	IFUBGRUZHXYFMU-AWEZNQCLSA-N	322.409	1.536	50	20	DDGD	
C[C@H](NNC(=O)CSC[C@H]1CCCCO1)C(F)(F)F	862313052	XCAWEGJJEWZKHO-DTWKUNHWSA-N	300.346	1.860	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(N2C[C@H](C)O[C@H](C)C2)cc1	868240958	KSWFUFPJCWFXTI-TXEJJXNPSA-N	321.377	1.643	50	20	DDGD	
Cc1ccc(NC(=O)N(C)C)c(C(=O)NNC(=O)N(C)C)c1	1116174414	WOUCYHTYECCHHI-UHFFFAOYSA-N	307.354	1.005	50	20	DDGD	
C[C@H](C1CC1)n1cc(NC(=O)NNC(=O)c2cn[nH]c2)cn1	860978328	JAHORMMIQGVPRS-MRVPVSSYSA-N	303.326	1.044	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NNc1ccc(OC)cc1[N+](=O)[O-]	767690137	HYBXBRYMPGEKAZ-HJWRWDBZSA-N	306.278	1.490	50	20	DDGD	
N#C/C=C\Cn1cnc2c(cnn2-c2ccccc2[N+](=O)[O-])c1=O	763304102	LXBOALPDESTJPK-ARJAWSKDSA-N	322.284	1.570	50	20	DDGD	
Cc1cc(=NNC(=O)NCc2ccnc(OC(C)C)c2)cc[nH]1	875412123	KSCIOVGLLOFJEQ-UHFFFAOYSA-N	315.377	1.820	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccc(OCCN(C)C)cc1	875057938	YBNXAPQRDMLICN-UHFFFAOYSA-N	324.381	1.039	50	20	DDGD	
COCCOCC(=O)NN=Cc1cc2cccc(OC)c2o1	872403052	HGGFLAHAROTNOZ-UHFFFAOYSA-N	306.318	1.555	50	20	DDGD	
Cc1nccc(NC(=O)NNC(=O)c2cccc3ncccc23)n1	776496956	IDYTXYKLHDIJGW-UHFFFAOYSA-N	322.328	1.800	50	20	DDGD	
COc1cc(NC(=O)NNc2cnc3ccccc3n2)ncn1	775692845	GSPBYGYGVJCAFS-UHFFFAOYSA-N	311.305	1.577	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])C1(O)CCOCC1	772215778	JMZIXFRQHIVJAZ-UHFFFAOYSA-N	315.713	1.233	50	20	DDGD	
COCCN(C)NC(=O)Nc1cnc2c(cnn2C(C)C)c1	878239860	ACMSPFJVYCVCBQ-UHFFFAOYSA-N	306.370	1.627	50	20	DDGD	
CCC(C)(C)NC(=S)NNC(=O)Cn1cnc2ccccc21	774138118	ILQOVCSBTNYSGH-UHFFFAOYSA-N	319.434	1.720	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2nccs2)cn1	772956475	YKJLJDFAZIXRSI-UHFFFAOYSA-N	309.376	1.178	50	20	DDGD	
CSc1nnc(CNC(=O)NN=c2cc[nH]c(C)c2)s1	875519688	AONPFDFFAJHCCG-UHFFFAOYSA-N	310.408	1.212	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)c2ccncn2)cc1	779367923	FQTCEXPNNQSJCE-UHFFFAOYSA-N	317.374	1.507	50	20	DDGD	
O=C(CCc1ccc2c(c1)CCO2)NNC(=O)c1ccncc1	1116659559	KBYVRRRFZIKUSD-UHFFFAOYSA-N	311.341	1.410	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1CCCN(c2ccccc2F)C1	875435311	UUQYHQVKLMNPTP-LLVKDONJSA-N	324.356	1.707	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1COc2ccc(Cl)cc2C1	887139224	GLVHPLIFPWCZBB-LBPRGKRZSA-N	320.776	1.842	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCCO[C@H]1CCOC1	885725139	SJGDFTTYZVOHFO-VHSXEESVSA-N	308.216	1.718	50	20	DDGD	
CCSc1ccccc1C(=O)NNC(=O)C1CCOCC1	883061504	WNMWCBVIYMUUDX-UHFFFAOYSA-N	308.403	1.986	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H](OC)C(C)C)nc1C	771449808	WTHJTLTZEHHGPZ-NSHDSACASA-N	310.354	1.076	50	20	DDGD	
C#CCOc1ccccc1NC(=O)NNC(=O)c1c[nH]nc1C	776089742	FTPLLQMDMHHTKS-UHFFFAOYSA-N	313.317	1.197	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C1CCOCC1)[C@@H]1C[C@H]2CC[C@H]1C2	883038424	HVHXNYWBGGLIIW-IMIFBBOLSA-N	309.410	1.568	50	20	DDGD	
CN(CC(=O)NCc1ccccc1)S(=O)(=O)CCCCl	881911653	JTYJINIFVYOECY-UHFFFAOYSA-N	318.826	1.193	50	20	DDGD	
CS[C@@H]1CCC[C@H](NC(=O)NNC(=O)C2CCOCC2)C1	883425394	SSNQTVSPIYGOTP-NWDGAFQWSA-N	315.439	1.418	50	20	DDGD	
CCN(CC(=O)N1CCCCCC1)S(=O)(=O)CCCCl	882194665	KHDADHLKSMUZNH-UHFFFAOYSA-N	324.874	1.670	50	20	DDGD	
O=C1CCc2cc(C(=O)NN=c3cc[nH]cc3)c(F)cc2N1	780755340	XGWBLFFHAQKMPZ-UHFFFAOYSA-N	300.293	1.284	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNc2ccc(Cl)c(F)c2)n1	782019975	XOZOQHUOTFIDCT-UHFFFAOYSA-N	308.700	1.730	50	20	DDGD	
O=C(CCCOCc1ccccc1)NNC(=O)c1cccnn1	882061015	ZTKFGAKMGQWSFX-UHFFFAOYSA-N	314.345	1.235	50	20	DDGD	
COC(=O)[C@H](Cc1ccc(Cl)cc1)NNC(=O)c1ccc[nH]1	783572964	NTVIUZZFYNBZTI-ZDUSSCGKSA-N	321.764	1.687	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@H](C)CN2CCC(C)CC2)cn1	780200853	NBUDSEIXCSOFJJ-CQSZACIVSA-N	318.421	1.908	50	20	DDGD	
Cc1cccnc1C(F)(F)C(=O)NNC(=O)C1CCOCC1	883069390	HJGRRWXFQCZJOR-UHFFFAOYSA-N	313.304	1.056	50	20	DDGD	
Cn1ccc2c(C(=O)NNC(=O)C3CCOCC3)cccc21	883062962	XZXUVMOHLRVOCJ-UHFFFAOYSA-N	301.346	1.366	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@H]1COC2(CCCCC2)O1	882044923	VPCMBCMOBODBRR-NSHDSACASA-N	311.831	1.611	50	20	DDGD	
COc1cccc(NNC(=O)CNc2ccccc2OC)n1	781027588	YFDLKLHMPKXGPY-UHFFFAOYSA-N	302.334	1.654	50	20	DDGD	
CN(C)Cc1ccc(S(=O)(=O)N2CC=C(C#N)CC2)cc1	788658350	OTSGKJXAAGIAPN-UHFFFAOYSA-N	305.403	1.593	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1c[nH]nc1-c1cnn(C)c1	780186415	ILBHFEAVCIACJA-UHFFFAOYSA-N	324.344	1.193	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNc2ccc3ccccc3n2)n1	782045640	OPLINJACXLJAQN-UHFFFAOYSA-N	307.313	1.486	50	20	DDGD	
CCSc1ccccc1CC(=O)NNc1nccn(C)c1=O	896030804	NYZWJDKWUXZVCR-UHFFFAOYSA-N	318.402	1.578	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CCCn1ccnc1	798309366	LQSPTYVOHPIBAF-UHFFFAOYSA-N	301.350	1.825	50	20	DDGD	
CO[C@@H](C(=O)NN=c1cc[nH]c2ccccc12)c1cnn(C)c1	799100032	DOCUSFGSZAKXKR-OAHLLOKOSA-N	311.345	1.221	50	20	DDGD	
CC(C)(C#N)c1ccc(C(=O)NNC(=O)c2cccnc2)cc1	792777307	NVSRCROXXDESHW-UHFFFAOYSA-N	308.341	1.958	50	20	DDGD	
C[S@@](=O)C1(CNC(=O)NNC(=O)CC(C)(C)C)CCC1	798104640	AKZHRSCQUZFNCE-HXUWFJFHSA-N	303.428	1.054	50	20	DDGD	
CC1CCC(OCC(=O)NNc2ccnc(N(C)C)n2)CC1	795119936	KSUDFWKFRQVAHA-UHFFFAOYSA-N	307.398	1.581	50	20	DDGD	
COCc1ncc(C(=O)NNC(=O)c2cccc(C#N)c2)s1	796139067	LCLBWVJGLJIUTQ-UHFFFAOYSA-N	316.342	1.236	50	20	DDGD	
CCOc1ncccc1NC(=O)C(=O)NCCSSC	793076034	HYZHVYBKXZVYMV-UHFFFAOYSA-N	315.420	1.546	50	20	DDGD	
COCC(=O)NN=C(C)Cn1cc(C(F)(F)F)ccc1=O	794520117	KJJDTQJCPARVPK-UHFFFAOYSA-N	305.256	1.006	50	20	DDGD	
CCN(C)c1ccc(C=NNC(=O)Cc2csc(C)n2)cn1	790145501	DCOUSQOBAYAXCK-UHFFFAOYSA-N	317.418	1.995	50	20	DDGD	
CCCNC(=O)NNC(=S)NCCCCC(F)(F)F	794975594	PYDRLYVLFAVABZ-UHFFFAOYSA-N	300.350	1.807	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CO[C@@H]2CCC[C@H](C)C2)n1	794081297	BHXXGOGCMTTWFL-WCQYABFASA-N	305.378	1.746	50	20	DDGD	
COc1cc(OC2CC2)ccc1C(=O)NNc1cccnn1	790882969	ICIGCXLGNFIOKC-UHFFFAOYSA-N	300.318	1.783	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)c2cnn(C)c2)[C@@H](n2cncn2)C1	794516106	YOYVUHUWMJDMAQ-GWCFXTLKSA-N	301.354	1.159	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCCC[C@@H]1c1cc[nH]n1	796194679	NZRFJMUVUMIWQO-GFCCVEGCSA-N	307.398	1.130	50	20	DDGD	
N#CC1(C(=O)NNC(=O)c2cncn2-c2ccccc2)CCC1	1318609311	IHFOIILZJIDALW-UHFFFAOYSA-N	309.329	1.327	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)CNC(C)(C)C)c1	1318260511	LMPLFOGTBLWYDR-UHFFFAOYSA-N	307.394	1.218	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)CCO)cc1Cn1cccn1	1319012767	UOBORLWZAXKFRI-UHFFFAOYSA-N	316.361	1.163	50	20	DDGD	
O=C(CSCc1cccs1)NNc1ncnc2[nH]cnc12	1319166394	CBNZMPUASDZYGV-UHFFFAOYSA-N	320.403	1.791	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)C(=O)c1ccc(O)cc1	1321139714	DSTNNGXRJMKYBJ-UHFFFAOYSA-N	318.716	1.690	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)Cc2ccccc2F)nn1C	1320245230	ABYIWWVXTBKHJG-UHFFFAOYSA-N	304.325	1.125	50	20	DDGD	
COC(=O)c1cccc(C=NNC(=O)Cn2nc(C)cc2C)c1	1322546710	NZXPWNRDMSCYCE-UHFFFAOYSA-N	314.345	1.437	50	20	DDGD	
CC[C@H](C)CC[C@@H](O)CC(=O)NNC(=O)[C@@H]1CCCCO1	1326586991	HLYVJZNFOJQFIG-XQQFMLRXSA-N	300.399	1.280	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccc(Cl)cc1OC(F)F	1325583441	XFWFNWDMUDOWNB-UHFFFAOYSA-N	323.683	1.477	50	20	DDGD	
CN(C)[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccccc1	1251774925	GZZUVVLLMSEJCG-ZIAGYGMSSA-N	304.394	1.503	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=O)c2ccccc2OC)c1C	1337125505	BWBIRJCBKLQOIY-UHFFFAOYSA-N	316.361	1.685	50	20	DDGD	
CN(NC(=O)C1CCN(C(=O)c2cccnc2)CC1)C1CC1	1345629014	KSEKUUGAANKFCN-UHFFFAOYSA-N	302.378	1.059	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C[C@H](C)n2ccnc2)cc1	1261507710	IPYUGXWXOGSIST-NSHDSACASA-N	302.334	1.304	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H]2CCCN2CC(C)C)c1	1353751956	GEBFAPSRUUZWTP-LBPRGKRZSA-N	309.435	1.938	50	20	DDGD	
CC[C@H](F)C(=O)NNC(=O)c1cccc(Br)c1	1358006392	NBAAESRASIYWLW-VIFPVBQESA-N	303.131	1.958	50	20	DDGD	
Cc1c([C@H](C)NC(=O)NNc2ncc(Cl)cn2)cnn1C	1351154971	YFCNWYUGBLOUHA-ZETCQYMHSA-N	309.761	1.559	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2CCOC(C)(C)C2)c1	1515278883	DCTMPFMXRSOEEG-CYBMUJFWSA-N	319.405	1.719	50	20	DDGD	
Cc1oc(CNC(=O)NNC(=O)CC(F)(F)F)cc1C(=O)O	1600851765	XDRGNPFHFNLTNB-UHFFFAOYSA-N	323.227	1.069	50	20	DDGD	
O=C(CCOCC(F)F)NNc1cccc(F)c1C(=O)O	1608310932	FFDIEATZGGWLHQ-UHFFFAOYSA-N	306.240	1.639	50	20	DDGD	
O=C(NN=C1COC2(CCC2)C1)c1cccc(-c2nn[nH]n2)c1	1606851033	YXLUWBAAKOFAMS-UHFFFAOYSA-N	312.333	1.296	50	20	DDGD	
O=C(CCCn1cncn1)NNc1ccc(C(=O)O)cc1F	1601275651	HJVOQZGXDJOCFC-UHFFFAOYSA-N	307.285	1.039	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2ccc([N+](=O)[O-])cc2O)c1	1602450111	JRJHNSRVTVQAFV-UHFFFAOYSA-N	317.257	1.756	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(C(=O)O)c1)N(C)CC(F)(F)F	1609636011	LIDCSESHZLPJOS-MRVPVSSYSA-N	319.283	1.711	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)N[C@@H]1CC[C@@H]2CNC[C@H]2C1	1610700675	VDCNPWIYGXXUCR-JHJVBQTASA-N	318.377	1.399	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)cc1F)N[C@H]1CCn2ccnc21	1610701468	PMWVODMOSLWHPB-NSHDSACASA-N	319.296	1.492	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C=NNC(=O)[C@@H]1CCCOC1	1552455316	VXPYPLRHOJUJSU-UMVBOHGHSA-N	320.393	1.416	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2ccc(CCN)cc2)c1	1579832539	MRQMKGRZHKTXDO-UHFFFAOYSA-N	303.387	1.633	50	20	DDGD	
CSc1ccc(NNC(=O)C2=NO[C@]3(CCNC3)C2)cc1	1579393064	LXEIKMNYJQDVRD-CQSZACIVSA-N	306.391	1.360	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2C[C@H](N)C2(C)C)c2ccccc21	1579953312	SNSCVTPYDRRCCV-JSGCOSHPSA-N	314.389	1.313	50	20	DDGD	
N[C@@H](C(=O)NNc1cccnn1)c1ccc(Br)cc1	1580115017	JEHDVBNUTWVKAG-LLVKDONJSA-N	322.166	1.382	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H](CN)C2CCCCCC2)nc1	1580069930	KLSXDJPYKLBZSR-CQSZACIVSA-N	301.394	1.942	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)C2=CCCC2)C1	1842601297	JJTCWBGZCAYKFQ-LLVKDONJSA-N	300.761	1.835	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C\c1ccc(-c2nn[nH]n2)c(F)c1	1589633098	JVHYPLNHAGXZHT-WZUFQYTHSA-N	314.324	1.685	50	20	DDGD	
CCOCc1nc(C)cc(NNC(=O)c2cc(C(=O)O)co2)n1	1596952202	HYSCWRRNXGKWBW-UHFFFAOYSA-N	320.305	1.370	50	20	DDGD	
CCCC(=O)N1CCC[C@H]1C(=O)NNc1ccc(C(=O)O)cn1	1595523967	ZIINFJWFTYAWDC-NSHDSACASA-N	320.349	1.014	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H](C)CC(=O)O	1592359755	LDKPOTVTBHJXRM-ZETCQYMHSA-N	300.746	1.807	50	20	DDGD	
CCc1ccc(NC(=O)NNc2ccc(-c3nn[nH]n3)cn2)cc1	1590890336	COEODRVCIAVCTK-UHFFFAOYSA-N	324.348	1.973	50	20	DDGD	
CC1(C)COC[C@@H]1NC(=O)NNc1ccc(CC(=O)O)cc1	1593958968	HYNBPNUQPSOOFM-LBPRGKRZSA-N	307.350	1.365	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NN=Cc1ccc(C(=O)O)cc1Cl	1776102498	REBHCYQWIRBLKE-PWSUYJOCSA-N	310.737	1.913	50	20	DDGD	
Cn1ncc(C(=O)O)c1C=NNC(=O)NCCc1cccs1	1776039385	PRGQUUMCUXJJSA-UHFFFAOYSA-N	321.362	1.056	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc[nH]n1)[C@@H](F)Cl	1793737728	HKUWXVFICHMYDB-PKIKSRDPSA-N	314.748	1.196	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cc([N+](=O)[O-])cn1C	16305864	IOBGYFYPXKVPIU-UHFFFAOYSA-N	302.290	1.317	50	20	DDGD	
O=C(NCCCCCN1CCCCC1)NNC(=O)c1ccc[nH]1	161603081	SQNCSOCZGTZZCS-UHFFFAOYSA-N	321.425	1.615	50	20	DDGD	
COC(=O)NNC(=O)C1(c2cccc(Br)c2)CC1	158743854	ZKMZXSJBOKGSFO-UHFFFAOYSA-N	313.151	1.868	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1sccc1-n1cnnn1	160770647	OWXNPBADZGAKBQ-UHFFFAOYSA-N	318.337	1.928	50	20	DDGD	
C[C@H]1[C@@H](C)OCCN1C(=O)NNC(=O)c1ccc(C#N)cc1	165946539	NOFAJPBQPLAHEI-WDEREUQCSA-N	302.334	1.022	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCOc2cccc(Cl)c2)[nH]n1	153029590	IMJMSYKQHMETDA-UHFFFAOYSA-N	322.752	1.602	50	20	DDGD	
CCCC(=O)NNC(=O)c1cc(-c2ccccc2OC)n[nH]1	153483698	GLSPPFZQPBCOOU-UHFFFAOYSA-N	302.334	1.646	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ccc2c(c1)CCO2	153620491	NFGZSTNSPPJFBR-UHFFFAOYSA-N	300.274	1.682	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)CC(C)C	153737977	GRQMRJGQTWEDNK-UHFFFAOYSA-N	322.365	1.334	50	20	DDGD	
Cn1cnc2cc(C(=O)NNC(=O)CNc3ccccc3)ccc21	156190203	GCQAXTLAUYVYIG-UHFFFAOYSA-N	323.356	1.446	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNc2ncnc3nc[nH]c23)cn1	156241847	MWGKOBCTVSZVDU-UHFFFAOYSA-N	300.326	1.061	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)C2(CCOC)CCC2)n1	155762620	STPXMKZIGIPVHZ-UHFFFAOYSA-N	321.425	1.973	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)Nc2ccc3[nH]ccc3c2)n1	156254356	OWNOMIVRCDVEMN-UHFFFAOYSA-N	324.344	1.657	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)sc1C	156875529	JJIQKHPIUYRJIF-UHFFFAOYSA-N	321.358	1.149	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NNc2ncccn2)C1	159621879	MUOCXLLMANYIBQ-NEPJUHHUSA-N	305.382	1.204	50	20	DDGD	
CCCCN1CCC(NS(=O)(=O)CBr)CC1	126713895	HGRSZJPTDCQDJG-UHFFFAOYSA-N	313.261	1.523	50	20	DDGD	
O=C(NNC(=O)c1ccccc1[N+](=O)[O-])NC1CCCCC1	6336133	WOPKTABCSUVPRV-UHFFFAOYSA-N	306.322	1.872	50	20	DDGD	
Cc1ccccc1CN(C)CC(=O)NNC(=O)c1ccccc1	7844824	PMWSCXZTSKCLLB-UHFFFAOYSA-N	311.385	1.888	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc(OC)cc1	8194282	LBTCQODLTCKDDI-UHFFFAOYSA-N	311.407	1.183	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCO[C@H](c2ccccc2F)C1	109150757	XKSXFUYKVCSKSX-ZDUSSCGKSA-N	323.368	1.986	50	20	DDGD	
Cc1oc2nc[nH]c(=O)c2c1C(=O)NNC(=O)CC(C)(C)C	171483201	BRNBTLLSDAMPDZ-UHFFFAOYSA-N	306.322	1.022	50	20	DDGD	
Cc1cc(NNC(=O)C[C@H](C)NC(=O)C2CCCC2)ncn1	172272600	JSIROZMZXWKOHH-NSHDSACASA-N	305.382	1.313	50	20	DDGD	
O=C(NCCOCc1ccccc1)NNc1cncc(Cl)n1	176443064	XWBQRBWOJLSEIT-UHFFFAOYSA-N	321.768	1.973	50	20	DDGD	
Cc1ccc(-c2nc(C(=O)NNC(=O)CN(C)C)cs2)o1	113428004	FHFQUPBVXOVPFQ-UHFFFAOYSA-N	308.363	1.034	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](C)C(=O)N2CCCC[C@H]2C)nn1	106269471	FTIPNZGBAUUQED-VXGBXAGGSA-N	320.397	1.201	50	20	DDGD	
C[C@@H]1CN(CCC(=O)NNC(=O)CC2=CCCCC2)C[C@@H](C)O1	111545213	RSBFWBYVPWHOEF-ZIAGYGMSSA-N	323.437	1.524	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CCNc1ccccc1[N+](=O)[O-]	63269526	XDSVLGYORQBFGI-UHFFFAOYSA-N	309.326	1.136	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NC[C@H]1C[C@H]2CC[C@@H]1C2	170881615	WSORPAMOWBOVSY-IACUBPJLSA-N	302.378	1.391	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)OCCCNC(C)=O)c1	63936035	RDZSCJCPZQNGFB-ZROIWOOFSA-N	302.330	1.672	50	20	DDGD	
CCCNC(=O)NNC(=O)CCCCOc1cccc(C#N)c1	110665334	HKYCTPDLZLGBAB-UHFFFAOYSA-N	318.377	1.848	50	20	DDGD	
O=C(NNC(=O)C(F)(F)C1(O)CCC1)c1ccccc1Cl	305242123	CCFMGKGBWGMOPD-UHFFFAOYSA-N	318.707	1.651	50	20	DDGD	
COC(=O)[C@H]1CCC[C@@H](C(=O)NNc2nccnc2Cl)C1	175237981	FJQCFNBBBIOOBR-BDAKNGLRSA-N	312.757	1.553	50	20	DDGD	
CCn1c(NNC(=O)[C@H]2C[C@H]2C2CC2)nc2ccccc2c1=O	177829874	WUPHDQNTJGSBME-STQMWFEESA-N	312.373	1.906	50	20	DDGD	
C=CC1CCN(C(=O)NNC(=O)c2ccccc2OC)CC1	111499819	VOPBPEZIVGSAPO-UHFFFAOYSA-N	303.362	1.948	50	20	DDGD	
NC(=O)c1ccc(OCCC(=O)NNc2ccc(F)cc2)cc1	176002350	FTNOCQCHTVMSOD-UHFFFAOYSA-N	317.320	1.837	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CCC(=O)c2ccccc2)cc1	61474543	ZYTLBBKYQQSZLG-UHFFFAOYSA-N	321.336	1.982	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)cc1	20907079	LCZCZPXWZIWBLR-UHFFFAOYSA-N	321.377	1.671	50	20	DDGD	
COc1ccc(NNC(=O)CC2(O)CCCC2)c([N+](=O)[O-])c1	122671061	MTLKPUMRBZVXRI-UHFFFAOYSA-N	309.322	1.742	50	20	DDGD	
CC(=O)N[C@@H](C)C(=O)NNc1cc(C(F)(F)F)ccc1F	128782351	ROOSCGLTTSELRR-LURJTMIESA-N	307.247	1.812	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnc(-c2ccccc2)nc1	68242711	UREUYMKZXPTDFZ-UHFFFAOYSA-N	313.361	1.888	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnc2c(cnn2C(C)C)c1	64425674	BFFIIMXMXFYJLO-UHFFFAOYSA-N	318.381	1.756	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccn2C)c2c(C)noc2n1	126473854	MMXJGTQRYIZKKE-UHFFFAOYSA-N	313.317	1.253	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccn(CCC(C)C)n1	124686828	CNNGSIXEAXOQOL-LLVKDONJSA-N	323.397	1.061	50	20	DDGD	
CCN1CCO[C@H](C(=O)NNc2cc(F)c(F)c(F)c2)C1	128748220	HDVPLLRDSWLYHV-NSHDSACASA-N	303.284	1.268	50	20	DDGD	
COc1ccc(C(F)(F)C(=O)NNc2nccnc2OC)cc1	184360032	PWJJNFDTGAYTNA-UHFFFAOYSA-N	324.287	1.729	50	20	DDGD	
COCCC(C)(C)C(=O)NNc1nc(-c2ccncc2)no1	183496586	QZERIVXAFBVQLO-UHFFFAOYSA-N	305.338	1.637	50	20	DDGD	
CCC[C@@H]1C[C@H](C(=O)NNC(=O)Cc2cccnc2)CCO1	180053492	CJWOOTOAJMUBHX-ZIAGYGMSSA-N	305.378	1.367	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)Nc2cccnn2)c1	186550572	DTOFXXNSNBZLAD-UHFFFAOYSA-N	300.322	1.009	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)nn1	124259043	CECHNARSVSHYHC-YUTCNCBUSA-N	317.393	1.759	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1	122658938	BWZRZENOELUDSK-MRVPVSSYSA-N	320.317	1.166	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N(C)C)cc1C	124672055	DFZCNJAJTIACSQ-JTQLQIEISA-N	320.393	1.193	50	20	DDGD	
CCC1(CNC(=O)NNc2ccc(-n3cccn3)nn2)CC1	79130164	FJJVABKUHKBUAP-UHFFFAOYSA-N	301.354	1.479	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccc3ccccc3n2)on1	182124239	VKMBCQRRABVEOO-UHFFFAOYSA-N	312.285	1.306	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)COCC1CC1	76339283	SPOIYUXAQMMWHA-UHFFFAOYSA-N	306.362	1.202	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc(C(C)(C)C)nn1C	79308419	CSTCNPGXFNKACD-UHFFFAOYSA-N	303.366	1.131	50	20	DDGD	
N#Cc1cccc(NNC(=O)NC2CCC3(CC2)OCCO3)c1	46077033	MFZIQIDSWLBNLQ-UHFFFAOYSA-N	316.361	1.870	50	20	DDGD	
C=CCCC[C@@H](C)NC(=O)NNC(=O)CNC(=O)c1ccco1	180666211	MMWBTEQUKAPXKL-LLVKDONJSA-N	322.365	1.085	50	20	DDGD	
CN(C)C(=O)NNC(=O)CCCNc1ccc([N+](=O)[O-])cc1	194930315	JWMXHVGMIXIWJM-UHFFFAOYSA-N	309.326	1.089	50	20	DDGD	
Cc1ccc(N2CCC(C(=O)NNC(=O)C(C)(C)C)CC2)nc1	194163988	GVTAWADZCLGBGY-UHFFFAOYSA-N	318.421	1.800	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cncc(-c3ccccc3)c2)cn1	131011466	MQHQDVLYPKUEGH-UHFFFAOYSA-N	321.340	1.557	50	20	DDGD	
CC(=O)CSCC(=O)NNc1nc(-c2ccccc2)no1	194593897	XOHMMXORAPRSCN-UHFFFAOYSA-N	306.347	1.502	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(-c2ccccc2)nn1)S(C)(=O)=O	85655428	NFNKJNMKRPSGLJ-SNVBAGLBSA-N	320.374	1.020	50	20	DDGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2ccnn2C)cc1	192981661	LYXQHXSCLQMEJU-XFXZXTDPSA-N	309.329	1.924	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1c(F)cc(F)cc1F	48835404	OOOGAAFKKBUGRL-UHFFFAOYSA-N	310.297	1.460	50	20	DDGD	
CCN(CC)c1ccc(C(=O)NNC(=O)c2cc(C)n[nH]2)cc1	194218467	HJCZRJPWJJWQPC-UHFFFAOYSA-N	315.377	1.639	50	20	DDGD	
CN(C)C(=O)NNC(=O)CCc1cccc(Br)c1	194936783	IVPUXPNQBTYEOD-UHFFFAOYSA-N	314.183	1.684	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1cc(F)ccc1F	49124776	UBOJVPCGIYULJS-UHFFFAOYSA-N	307.322	1.257	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)[C@H]1CC(c2cccnc2)=NO1	192236614	LUQULKYIQUVHNZ-CQSZACIVSA-N	316.361	1.302	50	20	DDGD	
N#C/C(=C\c1cn2cc(Cl)ccc2n1)S(=O)(=O)NC1CC1	195310878	FRESMJFZXOCBLM-LFYBBSHMSA-N	322.777	1.934	50	20	DDGD	
Cc1cc(CCCC(=O)NNC(=O)C(=O)NC2CC2)c(C)s1	84578961	QCXNFAMOOBZHBG-UHFFFAOYSA-N	323.418	1.114	50	20	DDGD	
O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1ccccc1F	254875274	ZKQWJUXMORFIQE-UHFFFAOYSA-N	324.319	1.630	50	20	DDGD	
O=C(NCCCN1CCOCC1)NNc1ccc(Cl)nc1	266663207	ITXKHPIMCUXXSH-UHFFFAOYSA-N	313.789	1.083	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN(C)CC(C)(C)C)n1	263762464	IIDWLXRCSNJEQC-UHFFFAOYSA-N	312.439	1.119	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@H](C)[C@@H]1CCOC1	266639373	XTCBZPLAFLJKKX-VXGBXAGGSA-N	306.366	1.756	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)o1	268106809	BJXPBSOQFVXBTK-JOYOIKCWSA-N	306.366	1.015	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H]2CC[C@@H](CC)O2)c1	268253735	PXOOHUYSHPDWGD-ZIAGYGMSSA-N	317.414	1.943	50	20	DDGD	
CC(C)Oc1ccccc1NC(=O)C(=O)NNC(=O)C1CCC1	274144595	XXFSCXYPVSLLDR-UHFFFAOYSA-N	319.361	1.360	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@H]2COC3(CCCC3)O2)n1	271517988	GPXVOUMPPILDOT-LBPRGKRZSA-N	321.381	1.405	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C	276730116	VIMOWDZCICCZDK-OLZOCXBDSA-N	319.409	1.806	50	20	DDGD	
O=C(NNc1nccc(N2CCOCC2)n1)[C@@H]1CCCCS1	273087000	NFCXYTURWZPQIG-NSHDSACASA-N	323.422	1.042	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)[C@H]1CCCOC1	270630448	GKBAIZBQLDOHKL-NSHDSACASA-N	324.402	1.361	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cnn(Cc2ccccc2)c1	274448256	UJHDQSSPKJIHDF-UHFFFAOYSA-N	316.365	1.629	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2c[nH]nc2[C@@H]2CCOC2)s1	275219954	AGJASYNMOSDRKJ-SECBINFHSA-N	320.374	1.358	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc(N2CCC2=O)c1	280265095	ULUGGLRPBBOZCM-JTQLQIEISA-N	304.350	1.622	50	20	DDGD	
C=CCN1CC[C@H](N(C)CCI)C1=O	281397257	QEOLDCOIORNSFO-VIFPVBQESA-N	308.163	1.140	50	20	DDGD	
COC1(C(=O)NNc2cccc([N+](=O)[O-])c2C)CCOCC1	285257322	LWURALKTYLMAQP-UHFFFAOYSA-N	309.322	1.542	50	20	DDGD	
O=C(CC1OCCCO1)NNc1ccc(-c2ccccc2)nn1	282352285	AQWWNPNWWFKWED-UHFFFAOYSA-N	314.345	1.740	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NNc1cccc(OC)n1	281752030	HXTSJDLVQYOPIA-SMDDNHRTSA-N	306.366	1.698	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@@H]1C[C@H](c2ccccc2)OC1=O	289366999	KYGJFJRTCFMYRR-QWHCGFSZSA-N	318.373	1.874	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccc(NCC2CC2)nc1	294230087	ZFVVPULYTKYSNX-UHFFFAOYSA-N	302.313	1.590	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)C2CCC2)c(Cl)n1	800836040	KISDXFFZQKMGQR-UHFFFAOYSA-N	303.771	1.153	50	20	DDGD	
CC1(C)CCC[C@@H]1CNC(=O)NNC(=O)Cc1ccncc1	297005473	UGONFJAJAGEOQZ-CYBMUJFWSA-N	304.394	1.781	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNC(=O)CC2CC2)cc1OC	294113538	KANYVZHHBZMJHT-NSHDSACASA-N	320.389	1.830	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C	807403956	UJZDPMVXOXSFNV-DOMZBBRYSA-N	322.409	1.045	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C1CCC1)[C@H]1OCCc2sccc21	293276454	CNYQPDRVCDPAGR-NOZJJQNGSA-N	308.403	1.946	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)CSC(F)F)nc1C	295024559	MLFYKVABDDLEIW-UHFFFAOYSA-N	320.321	1.361	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F)C1CC1	290967551	OGABKKHXILYZTI-HWPZZCPQSA-N	324.352	1.556	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cscc1Br	293926594	HJMLKMXSDCEWHM-QMMMGPOBSA-N	319.180	1.451	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2cccc(F)n2)c1F	807391352	NYFJIDCKGYEQHJ-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
CC(C)OCc1nc([C@@H](C)NC(=O)NNc2ncccn2)no1	291047079	HSPMBAQCBQNDJK-SECBINFHSA-N	321.341	1.172	50	20	DDGD	
COc1ccccc1C(C)(C)C(=O)NNC(=O)[C@@H]1CCCCO1	295679089	XVJLYWGIOYFJJJ-AWEZNQCLSA-N	320.389	1.689	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)[C@@H](C)CN2CCOCC2)c1	293818773	CTGNYLHYABMHII-LBPRGKRZSA-N	320.393	1.056	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H]2CCCCO2)c1	295360566	JFODBHRBUDMSMI-TZMCWYRMSA-N	306.362	1.479	50	20	DDGD	
CO[C@@](C)(C(=O)NNc1ccc(C(F)(F)F)nn1)C1CC1	291993910	WDHYDSHGRUVWRQ-LLVKDONJSA-N	304.272	1.754	50	20	DDGD	
CC1=C(C(=O)NNC(=O)CNc2ccccc2)SCCO1	806355357	SNHNZIMAUJHXOK-UHFFFAOYSA-N	307.375	1.241	50	20	DDGD	
COc1cccnc1CC(=O)NNc1cnc2ccccc2n1	807426031	HHJAFHISZGDFBF-UHFFFAOYSA-N	309.329	1.719	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCC(C)(C)OCCO	292105510	OUJHUORWRCUPBE-UHFFFAOYSA-N	317.817	1.256	50	20	DDGD	
Cn1nc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)cc1C1CC1	803427914	KFWUFUFXTSBKMF-UHFFFAOYSA-N	323.356	1.896	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNS(=O)(=O)c2ccc(Cl)s2)O1	295231852	SWQHCYVZKICHGH-BQBZGAKWSA-N	324.811	1.279	50	20	DDGD	
CC[C@@H](C)[C@H](CNC(=O)NNC(=O)Cc1cccnc1)OC	296276300	HXHJNEMYEWSBTI-YPMHNXCESA-N	308.382	1.016	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H](C)CCOc2ccccc2)O1	294344860	UHAABQNRPRGZQL-YDHLFZDLSA-N	320.389	1.807	50	20	DDGD	
CO[C@@H]1CCC[C@@H](C(=O)NNC(=O)CCOc2ccccc2)C1	814407453	GJWXBTIRVBNJCR-UKRRQHHQSA-N	320.389	1.808	50	20	DDGD	
CC(=NNC(=O)c1cc(Br)c[nH]1)c1cnnn1C	814780387	QMALWHBBNWDPHS-UHFFFAOYSA-N	311.143	1.060	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2c[nH]c(C(F)(F)F)c2)n[nH]1	815886748	HVBRMCIUSJFROF-UHFFFAOYSA-N	301.228	1.140	50	20	DDGD	
CN(NC(=O)c1ccc(=O)n(-c2ccccc2F)n1)C1CC1	819650768	XTFZDYHMRSHIOJ-UHFFFAOYSA-N	302.309	1.111	50	20	DDGD	
COc1ccc(NNC(=O)NCC[C@@]2(O)C[C@H]3CC[C@H]2C3)nc1	814346557	CFVXBZCNGAHJFK-MQIPJXDCSA-N	320.393	1.658	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)Cc2cccnc2)C[C@@H](CC)O1	817157952	SJZAAMOMAHQDCL-OKILXGFUSA-N	320.393	1.254	50	20	DDGD	
CC[C@@H](C)c1ccccc1OCC(=O)NNc1cnnn1C	816772101	MZTKKWPMHKBYFJ-LLVKDONJSA-N	303.366	1.851	50	20	DDGD	
Cc1ccc(SCC(=O)NN=Cc2cn(C)nc2O)cc1	814215143	KYDFMQMCZFUQLL-UHFFFAOYSA-N	304.375	1.677	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1sc(C)nc1C	726737716	BZJVTMIGAJBUTD-UHFFFAOYSA-N	320.374	1.623	50	20	DDGD	
O=C(NN=C[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccc(-c2nn[nH]n2)cc1	826444608	NEENYFPURUOXOQ-BPNCWPANSA-N	308.345	1.795	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccc(-c2nn[nH]n2)s1	821690917	BCKJPIPXIUIATH-VURMDHGXSA-N	305.319	1.025	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(C=NNC(=O)c2ccc[nH]2)C1	497273701	CQHOANIZRMSMJN-MEDUHNTESA-N	318.377	1.987	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)NNc1nc2c(C)cccc2s1	828362510	KMXSZNRTIVRAIE-UHFFFAOYSA-N	306.391	1.963	50	20	DDGD	
C[C@H](CCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccccc1	825836382	ZKOSYTSXJQYFBW-UMVBOHGHSA-N	319.405	1.936	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)c2cc3c(s2)CCC3)cc1Cl	822201557	MCHAPLVPHSVOEY-UHFFFAOYSA-N	324.793	1.699	50	20	DDGD	
O=C(CC[C@@H]1CCCO1)NNc1cccc(-c2nn[nH]n2)c1	826405761	SPSLOMIGILKUGQ-LBPRGKRZSA-N	302.338	1.269	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl	829531610	PHFZXVJZDAAZKY-SKDRFNHKSA-N	322.236	1.306	50	20	DDGD	
NC(=O)Nc1cccc(C(=O)NNC(=S)NCC2CCC2)c1	727866645	SFRPGGIJMLIZSR-UHFFFAOYSA-N	321.406	1.086	50	20	DDGD	
C[C@H](Cc1c(F)cccc1F)NCc1ccc(B(O)O)cc1F	585017222	PZJIDJNURLKEQH-SNVBAGLBSA-N	323.123	1.505	50	20	DDGD	
C#CCO[C@@H](C)C(=O)NNC(=O)c1cccc(OC(F)F)c1	823089396	YDOGTOJEFQIZKQ-VIFPVBQESA-N	312.272	1.087	50	20	DDGD	
CC(C)[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)C(F)(F)F	826593035	PHXWISRQANGWFR-HLTSFMKQSA-N	311.304	1.329	50	20	DDGD	
CC(C)(C)c1ccc(-c2ccc(C(=O)NCB(O)O)o2)cc1	585060009	JGVJEKPCITZRGG-UHFFFAOYSA-N	301.151	1.986	50	20	DDGD	
COc1ccc(NNC(=O)Cc2cn(C)nc2C)c([N+](=O)[O-])c1	827053397	LUKRBWKCWXWJCI-UHFFFAOYSA-N	319.321	1.331	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc(Br)cc1C#N	822203918	VLGNGSJEQVSYCK-UHFFFAOYSA-N	310.151	1.738	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1C[C@H]2C3CCC(CC3)[C@H]2C1	585008214	MDOIGCFAZWQAAY-QCBYLEPLSA-N	317.169	1.014	50	20	DDGD	
COc1ccc2c(c1)C[C@H](C)CC2=NNC(=O)c1ncon1	901287336	SQDRRMYLIQSIFJ-VIFPVBQESA-N	300.318	1.795	50	20	DDGD	
O=S(=O)(CCl)NCCCN1CCc2ccccc2C1	820785060	IZIKFBSSQWAUBJ-UHFFFAOYSA-N	302.827	1.551	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)CC1CC(F)(F)C1	823764932	FKXBAGKMIGTOSM-UHFFFAOYSA-N	300.280	1.951	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CCN(C3CCCCC3)C2)nc(N)n1	828371513	IWUWFSLFRJIGSR-GFCCVEGCSA-N	318.425	1.465	50	20	DDGD	
Cc1cc(CCNC(=O)c2ccc(B(O)O)c(F)c2)c(C)s1	584946567	VAOVZGVJEGPGLR-UHFFFAOYSA-N	321.182	1.156	50	20	DDGD	
C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CC[C@@H](B(O)O)C1	585073137	APMPZYWLFQAJLU-TZMCWYRMSA-N	319.210	1.827	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C2CCSCC2)cc1C	732949901	NUYPPIRMEXDELU-UHFFFAOYSA-N	322.430	1.973	50	20	DDGD	
COCC1(CNC(=O)[C@@]2(C)C[C@H]2Br)CCOCC1	908339951	HJQCOYZLSUZLMR-PWSUYJOCSA-N	320.227	1.719	50	20	DDGD	
CC(=NNC(=O)c1cccnc1)c1ccccc1OCC(=O)O	833385029	RGWJYUNBROGJGE-UHFFFAOYSA-N	313.313	1.699	50	20	DDGD	
COCC1(CNC(=O)NNC(=O)c2ccc(C)o2)CCCC1	836657651	AYPHNZOQOXFUCA-UHFFFAOYSA-N	309.366	1.739	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](n2ccnc2)C1	732200703	JTIDMFZPJIRLFV-UONOGXRCSA-N	321.425	1.102	50	20	DDGD	
O=C(O)COc1cccc(C(=O)NNc2cccnc2Cl)c1	833259861	PYXPSHMTFHNYPW-UHFFFAOYSA-N	321.720	1.955	50	20	DDGD	
CCO[C@H](CCNC(=O)c1ccc(B(O)O)cc1)C1CCCC1	584956630	FCNKVSAJUZEQLW-MRXNPFEDSA-N	319.210	1.082	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)N=c1cc[nH]cc1	836242825	PYIWEAZSOFVPFE-AAEUAGOBSA-N	305.382	1.808	50	20	DDGD	
Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NNC(=O)c1ncon1	832825673	CZVWRFGKUPFYMO-WDEREUQCSA-N	314.345	1.820	50	20	DDGD	
COc1ccc(N2CCC(NS(=O)(=O)CCl)CC2)cc1	830353206	WFMFVXBSDWVZMZ-UHFFFAOYSA-N	318.826	1.780	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)[C@@H]1C[C@H]2CC[C@H]1O2	834953014	UBQCYRDTETVCOD-GRYCIOLGSA-N	305.334	1.069	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2C[C@]2(F)c2ccccc2)c(F)c1	585048166	KAUZEUMHYFDNQO-CVEARBPZSA-N	303.117	1.232	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCOc1ccc(Cl)c(F)c1	832754237	GFUAXTDSVYHPST-UHFFFAOYSA-N	318.732	1.166	50	20	DDGD	
C[C@@H]1CCc2[nH]nc(C(=O)NNC(=O)NCC(F)(F)F)c2C1	907966730	ICJPMRXLQXSLGR-ZCFIWIBFSA-N	319.287	1.041	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)C[C@@H]1CC(=O)N1	830813868	SNYYGKXYONMSSH-VIFPVBQESA-N	312.167	1.479	50	20	DDGD	
CCN(CC)C(=O)CN(C)C(=O)[C@@]1(C)C[C@@H]1Br	905348927	GJASQMFKWITSJT-CABZTGNLSA-N	305.216	1.487	50	20	DDGD	
C[C@H]1[C@H](NCc2cccc(B(O)O)c2)CCN1Cc1ccccc1	585041646	RQZAUWIXSOLTHF-HNAYVOBHSA-N	324.233	1.119	50	20	DDGD	
O=C(Cc1csc2nccn12)NNc1cccc(C(=O)O)c1	833765391	LMSYPSSRVABNEN-UHFFFAOYSA-N	316.342	1.780	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=C1C[C@@H](C)n2ccnc21	834934564	OIKCRHMQGIKKGP-QWHCGFSZSA-N	303.410	1.790	50	20	DDGD	
CC(=O)N1CCC[C@H](CNC(=O)[C@@]2(C)C[C@@H]2Br)C1	907891881	HJHVGAYLMIFWGA-MDZLAQPJSA-N	317.227	1.535	50	20	DDGD	
COc1ccc(CCCC(=O)N2CC[C@@H](B(O)O)C2)c(OC)c1	585067382	WIBBAOYSHSAFSW-CYBMUJFWSA-N	321.182	1.102	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc2cccnc2s1	833236035	OLHGEUOUBWSTFT-SNVBAGLBSA-N	305.359	1.626	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCN2CCCC2=O)c1F	837061351	ZCXOSPNCZFEKJJ-UHFFFAOYSA-N	323.324	1.068	50	20	DDGD	
Cn1c(=NNC(=O)[C@@H](O)c2ccccc2)sc2ccccc21	735880104	NFPIKZXQIXIMHY-AWEZNQCLSA-N	313.382	1.905	50	20	DDGD	
O=C(COC[C@H]1CCCO1)NNc1cc(C(F)(F)F)ccn1	832962490	BDFQRFOKVFGLTH-SNVBAGLBSA-N	319.283	1.739	50	20	DDGD	
NC(=O)[C@@H]1C[C@@H]1C(=O)NNc1cc(F)ccc1Br	910465022	RACSSLZXJXKMHU-RQJHMYQMSA-N	316.130	1.153	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)CCc2csc(C)n2)n1	733125064	FKAJKDDMEWUJNG-UHFFFAOYSA-N	321.406	1.045	50	20	DDGD	
O=C(NNc1cc(Cl)cc(Cl)c1)C1(n2cnnn2)CC1	834360596	WCWNOFIGDPVDSA-UHFFFAOYSA-N	313.148	1.612	50	20	DDGD	
CCc1c(C(=O)NNC(=O)Nc2ccccc2C)cnn1C	918691062	XLLNJZCWMPTGKB-UHFFFAOYSA-N	301.350	1.757	50	20	DDGD	
COc1ccc2c(ccn2CC(=O)NNC(=O)CC(C)C)c1	915597423	QWULZLPTCVJLLR-UHFFFAOYSA-N	303.362	1.843	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2nc(N(C)C)no2)c(Cl)c1	838585370	NIXDHGBAGWXZAY-UHFFFAOYSA-N	324.772	1.924	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)Cc1ccc(Cl)cc1)n1ccnc1	917362055	VHLYMJMOQJMPHS-NSHDSACASA-N	320.780	1.878	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H](C)CS(C)(=O)=O)c(Cl)c1	836937728	KIGYATCEGDWDNB-SECBINFHSA-N	304.799	1.772	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1c[nH]nc1-c1cc2ccccc2o1	910158415	FGHJZPYXHODHBC-SNVBAGLBSA-N	314.345	1.780	50	20	DDGD	
CCOc1cn(-c2ccccc2)nc1C(=O)NN(C)C[C@@H](C)O	910165853	OTQSZRKFCHNLIY-GFCCVEGCSA-N	318.377	1.228	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)c1cccs1)[C@@H]1CC1(C)C	842164091	QZZTUVPAJNZLJW-QWRGUYRKSA-N	309.435	1.923	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H]1CCCN(O)C1=O	848139098	XLENKSTVYQUQQM-RUNBWSAHSA-N	303.293	1.229	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@H]1c1ccc(O)cc1	744391166	PNYVGEVOPHVXFN-AWEZNQCLSA-N	319.405	1.723	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)N[C@@H]1CCSC1	847327128	JXCWFVNCRVABLK-SSDOTTSWSA-N	318.200	1.371	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=O)Cc2ccncc2)c(O)c1	747515237	LMCZPODQIREFFA-UHFFFAOYSA-N	313.357	1.914	50	20	DDGD	
CC1(C)C[C@@H]1C(=O)NNC(=O)CSc1ccccc1[N+](=O)[O-]	844126922	ANGHWJJGXLXMHG-SECBINFHSA-N	323.374	1.880	50	20	DDGD	
CNc1cc(C(=O)NNc2ncnc3[nH]cnc23)cc(Cl)n1	743468382	DYYSASMULFNBAE-UHFFFAOYSA-N	318.728	1.200	50	20	DDGD	
CO[C@H]1CCCCC1=NNC(=O)c1ccc(-n2cnnn2)cc1	915952117	TUIXQZANDCXSQN-AWEZNQCLSA-N	314.349	1.337	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNc1cc(O)nc2ncccc12	913991295	OOWKBFBEWMLBJA-SNVBAGLBSA-N	304.350	1.841	50	20	DDGD	
COc1ccnc(NNC(=O)COc2ccc(Cl)c(C)c2)n1	841132225	MHJZUONLWYAQCC-UHFFFAOYSA-N	322.752	1.969	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CCn2cccc2)cc1	749136528	YMQUSSNPEAKEKH-UHFFFAOYSA-N	315.373	1.667	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	843657355	QKKISTSZZUSRQN-MFKMUULPSA-N	320.345	1.049	50	20	DDGD	
O=C(NCCC1=CCNCC1)NNC(=O)c1ccc(Cl)cc1	841986548	SOBKXWROZNIIKZ-UHFFFAOYSA-N	322.796	1.594	50	20	DDGD	
CCOc1c(Cl)cc(C(=O)NN(C)C[C@@H](C)O)cc1OC	910180654	NTWQBKSEIBQTNV-SECBINFHSA-N	316.785	1.705	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1	843645681	RWKFKRQAOMNUFB-OLRMPSLUSA-N	306.337	1.502	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)Cn1nc(C)n(C)c1=O	846798457	PCEBPKKCJXZYIB-UHFFFAOYSA-N	320.305	1.021	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc(-n2ccnc2O)cc1	845483908	PKKPOAPXOFZSLO-UHFFFAOYSA-N	300.318	1.139	50	20	DDGD	
C/C(=C\c1ccco1)C(=O)NNC(=O)Cn1nc(C)cc1C	847290606	URRPDLHFHWQTRG-JXMROGBWSA-N	302.334	1.344	50	20	DDGD	
O=C(NC[C@H]1CNCCO1)NNc1cccc(Cl)c1Cl	842010186	FVLUEWVWUFTKJE-MRVPVSSYSA-N	319.192	1.608	50	20	DDGD	
COC1([C@H](C)NC(=O)NNC(=O)c2ccccc2O)CCC1	840451774	AXJMWDLLOALMNI-JTQLQIEISA-N	307.350	1.294	50	20	DDGD	
O=C(NNc1cccc(F)c1F)C1(n2cnnn2)CCCCC1	845857558	KLEDNUCPWCXNJB-UHFFFAOYSA-N	322.319	1.754	50	20	DDGD	
CC(C)Cn1nccc1C=NNC(=O)Cc1cn2ccccc2n1	842527746	LWLYZHOAVUKITI-UHFFFAOYSA-N	324.388	1.880	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1ccc(-n2cccn2)nc1	755852592	ZCNVMHAMNIFSBV-UHFFFAOYSA-N	323.316	1.129	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1cc(F)ccc1F	853388941	XGJREOVIKWGLQB-DOMZBBRYSA-N	323.343	1.668	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1cc(F)cc(Cl)c1	755409387	GWKIIICRCCDZOS-UHFFFAOYSA-N	323.777	1.772	50	20	DDGD	
CCC(=NNC(=O)CN1CCCC1=O)c1ccc(N(C)C)cc1	759192356	PNZFSZCIFHMKJG-UHFFFAOYSA-N	316.405	1.605	50	20	DDGD	
COCC1(CNC(=O)NNc2ncc(Cl)cn2)CCCC1	856913478	KAUGJUBRCIHARE-UHFFFAOYSA-N	313.789	1.963	50	20	DDGD	
C[C@@H](CBr)CN1CC[C@H](CN2CCCC2=O)C1	852680221	OOGIBYWAFJSBLS-RYUDHWBXSA-N	303.244	1.962	50	20	DDGD	
N#CSCCCNC(=O)Cn1cc(Br)cn1	854362866	FMQGLDBLKUBWJV-UHFFFAOYSA-N	303.185	1.366	50	20	DDGD	
C[C@H](N)CCNC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	857114553	RNTRLNQJZHDVNR-ZJUUUORDSA-N	324.450	1.554	50	20	DDGD	
CO[C@H]1CCN(C(=O)NNC(=O)c2cccc(F)n2)[C@H](C)C1	852709837	FWBHSPIODUOJBL-ZJUUUORDSA-N	310.329	1.074	50	20	DDGD	
C=C[C@@H](CC)CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	929233043	VHTUEHYJNUPOGB-FZMZJTMJSA-N	304.346	1.576	50	20	DDGD	
Cc1cc(=NC(=O)NNC(=O)c2cccc(C#N)c2)c(C)c[nH]1	757811616	XHMQEYXUMSPOFX-UHFFFAOYSA-N	309.329	1.459	50	20	DDGD	
CCOc1nc(C(=O)NNc2cccc(C(=O)OC)c2C)co1	855625236	MQYDTZNYFPCOQO-UHFFFAOYSA-N	319.317	1.925	50	20	DDGD	
C[C@]1(CNS(=O)(=O)c2ccccn2)C[C@@H]1Br	856752447	JIDBSEUCQVVIAI-WCBMZHEXSA-N	305.197	1.533	50	20	DDGD	
CCc1ccc(C(=O)NN(C)C(=S)NCCCOC)s1	854280119	PDDAXUMJPXYAPF-UHFFFAOYSA-N	315.464	1.798	50	20	DDGD	
CC(C)CNC(=S)NNC(=O)NCCc1cccs1	920833534	YGLWSZBGKYCEBO-UHFFFAOYSA-N	300.453	1.625	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)[C@H](O)c1ccccn1	857473921	KMCGEIUFEVANJD-GFCCVEGCSA-N	309.272	1.860	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)C12CCC(CC1)C2	855833507	NGXYDKHDQFZFCT-UHFFFAOYSA-N	323.437	1.657	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccc(Cl)cn2)[C@H]2CCCC[C@@H]2N1	856094388	HNKCIQDXSZJFOG-WOPDTQHZSA-N	322.796	1.873	50	20	DDGD	
CC1(C)C[C@]1(C(=O)O)C(=O)NNc1nc(-c2ccccc2)no1	852949467	BTSLCVRDPLKCQU-OAHLLOKOSA-N	316.317	1.681	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@@H]2C1	852132481	WJECFZVFQBIQRJ-UONOGXRCSA-N	303.362	1.286	50	20	DDGD	
C[C@H]1CN(C2CC2)CC1=NNC(=O)CCN1CCCCCC1	755886973	RNADZSDYRWXFHD-AWEZNQCLSA-N	306.454	1.839	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cn1	757734772	WFWWPQFYEIGRDF-UHFFFAOYSA-N	315.289	1.765	50	20	DDGD	
O=C(NN=Cc1cc2cnccc2o1)[C@@H]1CN2CCC[C@@H]2CO1	853390855	PEYIZWRVSAWWMJ-DOMZBBRYSA-N	314.345	1.141	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H](C)c1ccsc1	854281714	JIHLQHOEHHJQNZ-JTQLQIEISA-N	315.464	1.726	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1C(=O)NNc1ccc(Cl)nn1	757662989	WJIHQWSQXOWNSQ-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
Cc1nnc(CC(=O)NC[C@@]2(C)C[C@@H]2Br)s1	857735274	ZGXRFCXGEMBXFZ-OIBJUYFYSA-N	304.213	1.679	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)N[C@H](C)C2CC2)nn1C(C)C	855096538	XCSYRQWNLAVULT-SNVBAGLBSA-N	309.439	1.680	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccnc(O[C@H]2CCOC2)c1	754106367	YFENQWLHNCSJPG-ZDUSSCGKSA-N	319.361	1.201	50	20	DDGD	
CCCc1ccc(C(=O)O[C@H](C)C(=O)NNC(=O)CC)s1	869936803	JRUDSJIQHXBKTH-SECBINFHSA-N	312.391	1.803	50	20	DDGD	
CCOCCCN1CCC(=NNC(=O)c2cn[nH]c2)[C@@H](C)C1	863154753	KVEBDWFVBSFCAN-LBPRGKRZSA-N	307.398	1.264	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)CCCCO	867853175	LXNSYPYBKYUVIK-JTQLQIEISA-N	314.769	1.417	50	20	DDGD	
CO[C@@H](CS(=O)(=O)NNC(=O)c1cc(C)cs1)C(C)C	863413293	DVKWCMJVGOYMCU-JTQLQIEISA-N	320.436	1.292	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)NC1(C(F)(F)F)CCOCC1	932295132	QPXYRYJLSMFPKP-UHFFFAOYSA-N	304.272	1.241	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1ccc2nc(O)[nH]c2c1	863092788	KHXFQGHLDBIXLU-UHFFFAOYSA-N	324.209	1.701	50	20	DDGD	
Cc1ccc(NNC(=O)NCCOCCCN)c(Cl)c1	861692822	KTLTUDWGKNJLBC-UHFFFAOYSA-N	300.790	1.640	50	20	DDGD	
Cc1cccc(C)c1NC(=O)C(=O)NNC(=O)C1CCCC1	764816747	AOBSWXVLNZRHBB-UHFFFAOYSA-N	303.362	1.580	50	20	DDGD	
CCOc1ccc(C[C@@H](C)C(=O)NNC(=O)c2cn[nH]c2)cc1	862469914	VSEKFGCJXDUKIU-LLVKDONJSA-N	316.361	1.448	50	20	DDGD	
CC1CCN(C(=O)C(=O)NNc2cc(F)c(F)c(F)c2)CC1	768098235	OXHWVTZURIVZLJ-UHFFFAOYSA-N	315.295	1.806	50	20	DDGD	
Cc1cc(C)c(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(C)c1	860224110	XLWOGABIZQPCRQ-NSHDSACASA-N	304.350	1.043	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CCNc2ccccc2C)n[nH]1	869013164	PDEUXELTBMOFPR-UHFFFAOYSA-N	315.377	1.219	50	20	DDGD	
C[C@@H](NNC(=O)C[C@H]1COc2ccccc2O1)C(F)(F)F	862320037	DSHCGNTXPURDQV-BDAKNGLRSA-N	304.268	1.788	50	20	DDGD	
CCCOc1ccc(NC(=O)NNC(=O)CN(C)C)cc1OC	861664805	NSCUUKXYFARGCB-UHFFFAOYSA-N	324.381	1.198	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2nccn2CC(F)(F)F)n[nH]1	764797885	XFLSDXMSZUZVHQ-UHFFFAOYSA-N	300.244	1.241	50	20	DDGD	
Cc1ccc(-n2cc(C(=O)NN[C@H](C)C(F)(F)F)nn2)cc1	862308489	BLNMDALBEQBHAD-SECBINFHSA-N	313.283	1.761	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NN2CCOC2=O)c1C	862698636	ZQSMUJKSQNILJD-ZROIWOOFSA-N	316.361	1.905	50	20	DDGD	
CNc1nc(C(=O)NNc2nc(-c3cccnc3)no2)cs1	762236810	OVNFHHDZGDRBSS-UHFFFAOYSA-N	317.334	1.387	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2ccc(CSC(F)F)o2)N1	863147108	YOVJPQGNUIQEFM-SECBINFHSA-N	317.317	1.464	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NC[C@H](OC)c1cccc(OC)c1	864349910	YPFDIXYNKJOXLF-VOMSXAGXSA-N	304.346	1.943	50	20	DDGD	
COC1(C=NNC(=O)COc2cc(C)ccc2C)CCOCC1	761749620	LPMWJDKWRGHGTC-UHFFFAOYSA-N	320.389	1.980	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccnc1)c1ccc(O)cc1	763198122	GFCHIPXKPVFNBV-UHFFFAOYSA-N	312.329	1.057	50	20	DDGD	
N#C/C(=C\c1cn(C[C@@H]2CCCO2)nn1)C(=O)[C@@H]1CCCOC1	865223708	KYFDHIFWUHAUKQ-VWRIWJQFSA-N	316.361	1.360	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)ccc1O)c1cnc(C2CC2)[nH]1	1116697791	ZQYCPULLHRPGSZ-UHFFFAOYSA-N	320.736	1.721	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H](NC(=O)NNc2cccc(F)c2Cl)C1	875653124	VGMHEXHWKWYCDG-SFYZADRCSA-N	314.748	1.759	50	20	DDGD	
CCN(CC)C(=O)c1ccc(NC(=O)NN(C)C(=O)OC)cc1	878007608	WZFIAMAXCZJZJL-UHFFFAOYSA-N	322.365	1.903	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cc(C(=O)NC2CC2)ccc1C	878236061	ONQZFXHQBGFSGQ-UHFFFAOYSA-N	320.349	1.622	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cc(C(F)(F)F)ccc1F	779821101	NQXCZTIQOSMZSR-UHFFFAOYSA-N	321.230	1.651	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)Cc1noc(C)c1C#N	779545512	TZAGQNJKMDCSEL-UHFFFAOYSA-N	314.301	1.327	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1cccc(N2CCNC2=O)c1C	775741357	RHFJLCHVSTXXLK-ZRDIBKRKSA-N	314.345	1.907	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@H]2CCc3nc(C)ncc3C2)n1	875050888	UCHGAOYLHYQLOQ-ZDUSSCGKSA-N	312.377	1.672	50	20	DDGD	
COC(=O)c1cnc(C(=O)NNc2ccccc2Cl)cn1	779674563	JDPUTYNDRUARPN-UHFFFAOYSA-N	306.709	1.674	50	20	DDGD	
CCN(CC)CC(=O)NNC(=S)Nc1ccccc1OC	873768131	VVHIKJLSKXFBTI-UHFFFAOYSA-N	310.423	1.355	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc(NC(=O)OC)c1C	879460309	AAEQSQYWWQUKHC-UHFFFAOYSA-N	310.354	1.788	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H]2[C@H]3CCCC[C@H]32)cn1	874953397	BGVYDBMPWBXELT-PJXYFTJBSA-N	320.418	1.844	50	20	DDGD	
COc1nccc2c(NC(=O)NNC(=O)C3CC3)cccc12	879850578	ARPAPEULGBVUST-UHFFFAOYSA-N	300.318	1.806	50	20	DDGD	
CCC1(O)CCC(NC(=O)NNC(=O)OC(C)(C)C)CC1	772591541	YTMXDBGNLXMAEJ-UHFFFAOYSA-N	301.387	1.809	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H](C)NC(=O)C(C)(C)C	777773206	VGOBELOYYXPNPG-SNVBAGLBSA-N	321.377	1.467	50	20	DDGD	
Cc1ncccc1CC(=O)NNC(=O)c1cccc(N(C)C)c1	1117333827	OVOCDOYGTJCUNR-UHFFFAOYSA-N	312.373	1.460	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@H]2CCC[C@@H]2OC)n1	774790662	WBJFNSOGFOOQMZ-MNOVXSKESA-N	309.370	1.235	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(C)n([C@@H](C)C3CC3)n2)n[nH]1	777441498	UXBASFPHHAMVMT-JTQLQIEISA-N	316.365	1.269	50	20	DDGD	
CCOC(=O)[C@@H]1CSCCN1C[C@H](C)CBr	770648659	UJGKPSVKGRZSDI-ZJUUUORDSA-N	310.257	1.998	50	20	DDGD	
COC(=O)CCc1cccc(NC(=O)NNC(=O)C2CC2)c1	881095422	OILHFLHVICIRIH-UHFFFAOYSA-N	305.334	1.355	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1	887140819	SYTLBWUZDHKYPD-CYBMUJFWSA-N	319.405	1.119	50	20	DDGD	
COCc1nc(C(=O)NNc2cnc3ccccc3n2)cs1	774778035	DBRRQIASSIBPJL-UHFFFAOYSA-N	315.358	1.990	50	20	DDGD	
CCOc1ccc(C(=O)NCC(=O)NCCCSC#N)cc1	773585826	ARWFXYKGQKMPJE-UHFFFAOYSA-N	321.402	1.536	50	20	DDGD	
Cn1nc2c(c1NC(=O)NNC(=O)C1CCCC1)CCCC2	880620788	MPQUZOIRKMOILA-UHFFFAOYSA-N	305.382	1.642	50	20	DDGD	
COCCc1nc(C)c(C(C)=NNC(=O)c2c[nH]nc2C)s1	770604548	AFIDTCJOGMGTLX-UHFFFAOYSA-N	321.406	1.826	50	20	DDGD	
C=C/C=C\CCNC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	883724720	CJUNVJXDEXHPOA-SREVYHEPSA-N	324.425	1.392	50	20	DDGD	
COC[C@H](C)C(C)=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1	777880213	QVSWZFVNYLTXLT-XJFOESAGSA-N	313.442	1.506	50	20	DDGD	
CCC[C@H](C(=O)OCC)S(=O)(=O)NCC(Cl)Cl	882328333	DOOCRQDUQFDDSG-SSDOTTSWSA-N	306.211	1.441	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1NC(=O)NNc1ncccn1	782071380	QMVALCZTPOURMP-UHFFFAOYSA-N	304.266	1.542	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cccnc1N1CCCCC1	887141700	FHGCXVLPMCHGFO-UHFFFAOYSA-N	314.389	1.636	50	20	DDGD	
NC[C@H](C(=O)NNC(=O)c1ccccc1)C1CCCCCC1	1122038754	OYIWOBWJLSHJGK-HNNXBMFYSA-N	303.406	1.993	50	20	DDGD	
Cc1cccc([C@@H](C)CNC(=O)NNC(=O)c2cccnn2)c1	883449577	YSPWFSBRFTYFFE-LBPRGKRZSA-N	313.361	1.533	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2CO[C@H](C)C2)cc1	784075533	TXKYCPBQVATTTF-YPMHNXCESA-N	306.362	1.200	50	20	DDGD	
CC(C)NC(=O)c1ccc(NC(=O)NNC(=O)C(C)C)cc1	782558302	JRPYPBBWZCHGMV-UHFFFAOYSA-N	306.366	1.634	50	20	DDGD	
CCC(=O)NN=Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1	788698810	LXZJFBUILDSNEJ-UHFFFAOYSA-N	309.278	1.007	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C2CCOCC2)c(F)c1	880313577	DBDSTFVLGKMBHV-UHFFFAOYSA-N	311.313	1.414	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2ccc(C(=O)O)cc2Cl)cn1	783846640	UGQKVRZVFXPRGN-UHFFFAOYSA-N	306.709	1.536	50	20	DDGD	
CNC(=O)c1cccc(NC(=O)NNc2cccc(OC)n2)c1	780465084	RAFHLNLQMHSFOD-UHFFFAOYSA-N	315.333	1.598	50	20	DDGD	
CCn1cc(CC(=O)NNc2ccc(C(F)(F)F)nn2)cn1	780963562	GMTRWUNCVVHLRU-UHFFFAOYSA-N	314.271	1.398	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCN1CCC[C@H]1C	897474542	VHCGZQQDVDGKMW-CYBMUJFWSA-N	304.394	1.423	50	20	DDGD	
CC(C)(C)CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1	787154521	VXDCNYHWBGPLBW-NSHDSACASA-N	315.439	1.675	50	20	DDGD	
COc1cccc(NCC(=O)NN=C(C)c2cc(C)nn2C)c1	788978442	XSKDANOGSZFCGA-UHFFFAOYSA-N	315.377	1.689	50	20	DDGD	
C[C@@H](OC(=O)[C@H](Br)C(C)(C)C)c1nnnn1C	787791725	ULJSFWJQJJWSKP-RQJHMYQMSA-N	305.176	1.624	50	20	DDGD	
Cc1nc([C@H]2CCCN(S(=O)(=O)CCCCCl)C2)n[nH]1	780807935	FAXGBWWSZPVHSR-NSHDSACASA-N	320.846	1.641	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@@](C)(NC(C)=O)C(C)C	898698568	RZEJCPHMIHTLRS-HNNXBMFYSA-N	311.357	1.828	50	20	DDGD	
C[C@H](NC(=O)NNc1cc(F)c(F)cc1F)c1ncnn1C	788886574	MPOUXAILPIYVAA-LURJTMIESA-N	314.271	1.620	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1sc(N2CCCC2)nc1Cl	785457688	DYQAUHXFOJTJAZ-UHFFFAOYSA-N	316.814	1.618	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCCCS2)cc1	783030688	NWTGXKIEBRHYFF-ZDUSSCGKSA-N	319.386	1.370	50	20	DDGD	
C[C@@H]1CCN(S(=O)(=O)c2ccc(CCl)cc2)[C@@H]1CO	388776499	JKVUZEJABMKJMH-ZWNOBZJWSA-N	303.811	1.817	50	20	DDGD	
Cc1cnc2c(cnn2CC(=O)NN[C@@H](C)C(F)(F)F)c1	899146678	UKCWESHERMLBBT-QMMMGPOBSA-N	301.272	1.311	50	20	DDGD	
Cc1cccc(C(=O)NNS(=O)(=O)c2sccc2C)n1	794599785	NHWIKAQECZMORI-UHFFFAOYSA-N	311.388	1.383	50	20	DDGD	
O=C(NN=C1CC(=O)N2CCCC[C@@H]12)c1ccc2c(c1)OCO2	799466755	OVKHIFOQCTZTQR-LBPRGKRZSA-N	315.329	1.286	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)Cc1ccoc1	795181722	NUHLMBSDKWTHMN-UHFFFAOYSA-N	323.374	1.216	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1ccccc1S(C)(=O)=O	792217212	KYPCYGKQXILFNB-UHFFFAOYSA-N	320.374	1.942	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccccc1)[C@@H]1CCC(C)(C)C1	796526174	RSBJQPJHZYXPMU-CQSZACIVSA-N	303.406	1.958	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)o1	793625227	OBUKPYPTVZKTLK-XNIWICEBSA-N	312.369	1.743	50	20	DDGD	
CC(=NNC(=O)COc1ccc(Cl)cc1)c1ccc(O)nn1	790143248	DMYVPZJVUDAXBW-UHFFFAOYSA-N	320.736	1.755	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)c1ccccc1Cl)N(C)C1CC1	1318552312	WYPSDVTWVRGVIV-SNVBAGLBSA-N	324.812	1.767	50	20	DDGD	
COc1ccnc(NNC(=O)C2(c3cccc(C#N)c3)CC2)n1	1319518970	DQMWJIDFNGMKMZ-UHFFFAOYSA-N	309.329	1.532	50	20	DDGD	
CN(CC1(C)COC1)C(=O)NNC(=O)CCOc1ccccc1	1329159944	VNBWQPYNMLCCLK-UHFFFAOYSA-N	321.377	1.165	50	20	DDGD	
COCCN1CN(C[C@@H](CBr)C2CC2)CC1=O	1329805838	JWSVXPLKBWZHIY-LLVKDONJSA-N	305.216	1.156	50	20	DDGD	
Cc1ccccc1OCCC(=O)NNC(=O)CC(F)(F)F	1329349473	JEBDTCCVCWUTLQ-UHFFFAOYSA-N	304.268	1.864	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C)Cc1cc2ccccc2[nH]1	1324715654	CYGNVIROGDSBAR-UHFFFAOYSA-N	302.378	1.403	50	20	DDGD	
CCOCc1ccc(NC(=O)NNC(=O)c2cnn(C)c2)cc1	1320133941	SCFCWWKCFHIFIG-UHFFFAOYSA-N	317.349	1.423	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(CF)cc1	1328082547	FPDRLWCZUIHGNY-UHFFFAOYSA-N	309.341	1.222	50	20	DDGD	
Cc1ccc(C(C)(C)CNC(=O)NNC(=O)c2cn[nH]c2)nc1	1332650643	TZHCNUDDOCRHPL-UHFFFAOYSA-N	316.365	1.035	50	20	DDGD	
CCN(CCOC)c1nnnn1C[C@@]1(C)C[C@H]1Br	1337712901	AWIJOJFQHJZAJX-MWLCHTKSSA-N	318.219	1.319	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCc2nccn2C(F)F)n1	1339599030	HFDFAJHWBUAVMB-UHFFFAOYSA-N	324.291	1.126	50	20	DDGD	
N#C/C(=C\c1cnc(Cl)c(C#N)c1)S(=O)(=O)NC1CC1	1346126349	KCJFYGWDGGTGDB-NYYWCZLTSA-N	308.750	1.553	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)C1CCOCC1)c1nccs1	1349788755	SPMZZZCQDXNCCD-SECBINFHSA-N	312.395	1.004	50	20	DDGD	
C[C@@H](NC(=O)NNc1c(F)cc(F)cc1F)c1nnnn1C	1351579896	YGEJXKVGAUUBNP-RXMQYKEDSA-N	315.259	1.015	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2CCc3nc[nH]c3C2)c(F)c1	1602385014	OUSIEPVUPHOEJH-QMMMGPOBSA-N	318.308	1.495	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H](C(=O)NNc2ccc(F)c(F)c2F)O1	1608804355	NYRUGRLVCPOHTE-SFYZADRCSA-N	304.224	1.179	50	20	DDGD	
O=C(/C=C\c1ccc(C(=O)O)o1)NNC(=O)Nc1ccccc1	1605659808	MPUIQTXHJRJLSQ-CLFYSBASSA-N	315.285	1.844	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1cc(C(=O)O)cnc1Cl	1601247838	GIPCRFNUPLAVIG-UHFFFAOYSA-N	312.713	1.386	50	20	DDGD	
COc1cccnc1C(=O)NNc1ccc(CC(=O)O)cc1	1607349176	VJJFSMFHIMCKIH-UHFFFAOYSA-N	301.302	1.474	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNc1ccccc1C(=O)O	1605422262	NGTQQLYDCGUZTI-UHFFFAOYSA-N	307.350	1.477	50	20	DDGD	
CSc1nccnc1C(=O)NNc1ccc(F)c(C(=O)O)c1	1607414747	ACPWADRDBVVLJJ-UHFFFAOYSA-N	322.321	1.793	50	20	DDGD	
O=C(CC(F)(F)C(F)(F)F)NNc1ccc(C(=O)O)cn1	1601243865	LKNDCXPCOVZEAD-UHFFFAOYSA-N	313.182	1.811	50	20	DDGD	
Cc1cc(C=NNC(=O)CCc2ccccc2O)[nH]c1C(=O)O	1600185813	VLUIJGSKTFXDKO-UHFFFAOYSA-N	315.329	1.810	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1ncc(Cl)s1	1606858313	PUHPTAFRLBTRKE-UHFFFAOYSA-N	322.741	1.129	50	20	DDGD	
COc1ccccc1C(C)=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549312660	BWJMOQKYWSZQCN-XJKSGUPXSA-N	317.389	1.399	50	20	DDGD	
COCC(C)(C)C=NNC(=O)[C@H]1CCCO[C@H]1c1ccnn1C	1549322000	WYOQSPKTRSZMPW-GXTWGEPZSA-N	322.409	1.662	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@@H]1C=NNC(=O)c1cccnc1	1552448793	WCWXJSUDFXXICS-DOMZBBRYSA-N	313.361	1.699	50	20	DDGD	
Cc1ccc(O[C@@H](C)C(=O)NNc2ncccc2C(=O)O)cc1	1574378055	HYDFAUNZQBCHSP-NSHDSACASA-N	315.329	1.999	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCNN(C(=O)OC(C)(C)C)CC1	1578100394	SOHWECBFUOLPJW-QXMHVHEDSA-N	324.381	1.014	50	20	DDGD	
O=C(CCNCC1CC1)NNC(=O)c1ccc(Cl)cc1F	1580538545	ZFKYXSMHKDYUNX-UHFFFAOYSA-N	313.760	1.630	50	20	DDGD	
C[C@H](SCC(=O)NNC(=O)c1ccc(Cl)cc1)C(=O)O	1589170078	YGGPMIXHJJNOQD-ZETCQYMHSA-N	316.766	1.307	50	20	DDGD	
C[C@]1(CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1(F)F	1590132208	PSSYVCIBGUFIED-GFCCVEGCSA-N	323.307	1.538	50	20	DDGD	
O=C([C@@H]1CCOC1)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846389165	KCZUOFVWFGPPOZ-SECBINFHSA-N	321.204	1.030	50	20	DDGD	
CO[C@H](C(=O)NNc1ccc(C(=O)O)c(F)c1)c1cnn(C)c1	1599029401	YVPBOBTWUGRHBH-LBPRGKRZSA-N	322.296	1.088	50	20	DDGD	
CC[C@H](C)[C@@H](NNC(=O)c1ccc(OC)cc1OC)C(=O)O	1594922417	ZFNAKLQZPADIFT-TVQRCGJNSA-N	310.350	1.438	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1cc(C#N)ccn1	1599376955	GXMAPLDPWXBSTM-UHFFFAOYSA-N	312.285	1.417	50	20	DDGD	
CC(CCc1ccc2c(c1)OCO2)=NNC(=O)NCC(=O)O	1592540385	SUNXJXHVTMUJDJ-UHFFFAOYSA-N	307.306	1.108	50	20	DDGD	
COc1cc(CCC(=O)NNc2cccc(F)c2C(=O)O)on1	1599402747	HQEBKMHJECJCBL-UHFFFAOYSA-N	323.280	1.596	50	20	DDGD	
Nc1ccc2c(n1)CCCC2=NNC(=O)c1ccc(C(=O)O)cc1	1776100758	YNTITMXMDIWMAJ-UHFFFAOYSA-N	324.340	1.832	50	20	DDGD	
CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2	1795542685	SINDFUPMEHQRMM-USZNOCQGSA-N	316.829	1.270	50	20	DDGD	
CC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)CN	1795957806	DIAGKSJWIWIZQY-UJPOAAIJSA-N	315.845	1.237	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1ccccc1OCC(=O)O	13343057	UOSMRXUZFBJNAL-UKTHLTGXSA-N	318.329	1.210	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)NC1CC1	160284196	QOMGVGIYNOZJAW-QJPTWQEYSA-N	307.394	1.019	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNC(=O)c2cc(Cl)ccc2O)c[nH]1	152970836	PVMGIWDJUZCZKQ-UHFFFAOYSA-N	321.720	1.117	50	20	DDGD	
CN1C[C@H](C(=O)NNc2ccccc2Br)CC1=O	153573820	FUWIQEQQJXJPNR-MRVPVSSYSA-N	312.167	1.371	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2cccs2)n[nH]1)c1csnn1	154152097	PGEZTNNDFVGYOG-UHFFFAOYSA-N	320.359	1.065	50	20	DDGD	
C[C@]1(CNS(=O)(=O)CBr)C[C@H]1Br	856755267	TWQPZNXKCPQLBR-PHDIDXHHSA-N	321.034	1.432	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)C(=O)NC1CC1	9889593	TWCIKKNDARKENQ-UHFFFAOYSA-N	319.405	1.019	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNC(=O)c1ccc(C#N)cc1	104873429	GDZMSWJVLPBXNG-UHFFFAOYSA-N	316.361	1.016	50	20	DDGD	
O=C(CCCCN1CCOCC1)NNc1c(F)cccc1F	178959912	ZMHFNCOEBLUSND-UHFFFAOYSA-N	313.348	1.910	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1ccc(F)c(C)c1	105591433	GVFQADHCMZWPGG-UHFFFAOYSA-N	303.359	1.427	50	20	DDGD	
C[C@H](C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)c1ccccc1	120439277	RZWHPZVEOLIZGT-GXTWGEPZSA-N	310.419	1.282	50	20	DDGD	
CCC1(C(=O)NNC(=O)Cc2cn3ccccc3n2)CCC1	177530880	SZGNFCGOLAQDSO-UHFFFAOYSA-N	300.362	1.605	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2nccnc2Cl)cc1	114893643	MPAYFIAGJNVRCW-UHFFFAOYSA-N	306.709	1.674	50	20	DDGD	
CCN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)CCl	111000944	TWWVYLPXCLEZPP-SNVBAGLBSA-N	305.783	1.674	50	20	DDGD	
COc1cc(OC)cc(N2CC[C@@H](NC=C(C#N)C#N)C2=O)c1	175958938	VAVLMWWENMOARW-OAHLLOKOSA-N	312.329	1.330	50	20	DDGD	
Cc1nnc(NNC(=O)CSCc2ccc(F)cc2)nc1O	23309454	NVYIKUAJWVIJRW-UHFFFAOYSA-N	323.353	1.401	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)CC[C@@H]1CCCCO1	111613589	LZVUNKKOTDTVDZ-AWEZNQCLSA-N	320.389	1.822	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNc2ncccc2Cl)c(=O)[nH]1	114883442	GLVZKEDBEPQRFF-UHFFFAOYSA-N	307.741	1.121	50	20	DDGD	
COc1cc(CCC(=O)NNC(=O)NC(C)C)cc(OC)c1	63269937	NDAHWTYMQXTQCM-UHFFFAOYSA-N	309.366	1.375	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cn1	22413010	LPOHTOIBZFLUCU-LLVKDONJSA-N	317.320	1.758	50	20	DDGD	
COCCCNC(=O)NNC(=O)/C=C/c1ccc(Cl)cc1	65212147	WBQGPHXBDGAFDC-VMPITWQZSA-N	311.769	1.720	50	20	DDGD	
Cc1ccnn1-c1ccc(C(=O)NNC(=O)CC(C)C)cc1	24608406	UZQTVLCJMKWOCP-UHFFFAOYSA-N	300.362	1.988	50	20	DDGD	
O=C(CCOC1CCOCC1)NNc1cccc([N+](=O)[O-])c1	178848250	ADIHUHWTXFFSPJ-UHFFFAOYSA-N	309.322	1.624	50	20	DDGD	
COc1ccc(NC(=O)NNc2nc(C)cc(C)n2)c(C)n1	179914455	HPBZEXBWCCWQOV-UHFFFAOYSA-N	302.338	1.954	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C[C@H]1CCCCO1	120219857	ZHWVVVKXOGDUFH-CQSZACIVSA-N	320.389	1.734	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)c2ccccc2OCC(N)=O)c1	129054735	GONPVFRBKSSBMZ-UHFFFAOYSA-N	313.357	1.924	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)Cc2ccoc2)cc1	120758326	YMDRQOGMJWKZCI-UHFFFAOYSA-N	302.330	1.611	50	20	DDGD	
Cc1cc2occ(CC(=O)NNC(=O)[C@@H]3CCCO3)c2cc1C	32259923	YWCKJXZVYSEYPK-AWEZNQCLSA-N	316.357	1.919	50	20	DDGD	
C[C@H]1CCC[C@@H](C)CN1CC(=O)NNC(=O)c1ccccc1	182348255	YMPKOEYRCPPSQU-KGLIPLIRSA-N	303.406	1.958	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)NNc2ccncc2)C1	180486957	BPVSWDPSJITIAB-HNNXBMFYSA-N	324.356	1.874	50	20	DDGD	
CNC(=O)c1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1	74061952	UHIXVYZPIKPJRN-ZROIWOOFSA-N	309.325	1.863	50	20	DDGD	
Cc1ccc2c(c1)N(C(=O)C(=O)NNc1ccc(C)nn1)CC2	123711335	BNHDQNSXHFNTJS-UHFFFAOYSA-N	311.345	1.126	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H](C(=O)NNc2cccc3c2CCCC3)O1	188502994	NGGSXYQXXYMHOY-LSDHHAIUSA-N	318.373	1.729	50	20	DDGD	
COc1cccc(NNC(=O)c2cccc([N+](=O)[O-])c2N)n1	180704056	HOYKQNKTOVVDQO-UHFFFAOYSA-N	303.278	1.338	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1c[nH]nn1	127189910	KVUCMYWAKLAMAQ-UHFFFAOYSA-N	300.105	1.186	50	20	DDGD	
COc1cccc(NNC(=O)[C@H](c2ccccc2)N(C)C)n1	180698152	BCIKNNVIIXPTRF-HNNXBMFYSA-N	300.362	1.836	50	20	DDGD	
COc1cccc(NNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)n1	180730543	HFDFYDJGKDEEPC-UHFFFAOYSA-N	317.305	1.646	50	20	DDGD	
COc1cccc(NNC(=O)CCc2nc(C(C)C)no2)n1	180699196	IPXJIVHSTHPQOJ-UHFFFAOYSA-N	305.338	1.673	50	20	DDGD	
CCOCCC1(C(=O)NNc2nccc(OC)n2)CCCC1	130004433	SRCURRYKKFIPJF-UHFFFAOYSA-N	308.382	1.915	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1c[nH]c2ccc([N+](=O)[O-])cc12	130122305	LDDKRUBJOVGNDO-LBPRGKRZSA-N	318.289	1.016	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H]2CCCN(CC(C)C)C2)nn1	130700977	AUBRDKZPERSKME-CQSZACIVSA-N	320.441	1.779	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cccc(-c2ccoc2)c1	89759462	UCAJNLYXFUWABP-UHFFFAOYSA-N	317.345	1.927	50	20	DDGD	
COc1cccc([C@@H](C)C(=O)NNC(=O)NCc2ccco2)c1	194433171	LPBXBHCTMOOEBY-LLVKDONJSA-N	317.345	1.922	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1	195210866	CAZZCSHKIRZPAN-AWEZNQCLSA-N	321.421	1.363	50	20	DDGD	
CCCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1ccncc1	194126115	AXNXDXHBWTXMBV-CYBMUJFWSA-N	318.377	1.024	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(N)=C(C#N)C#N)c(OC)c1OC	192769946	JOKOVEQBHATKTL-IZZDOVSWSA-N	310.313	1.879	50	20	DDGD	
Cn1cc(CC(=O)NNC(=O)Cc2cccc3ccccc23)cn1	194790247	AFQZSPIYSQEURM-UHFFFAOYSA-N	322.368	1.506	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)O)cc(C)c1OC(F)F	190074857	DEABKDQFSBVTAG-UHFFFAOYSA-N	316.304	1.437	50	20	DDGD	
CC(=O)c1cccc(NC(=O)NNC(=O)Cc2ccncc2)c1	83064626	ULVUQFYKKGIMOR-UHFFFAOYSA-N	312.329	1.680	50	20	DDGD	
COc1ncccc1C(=O)NNc1cc(C#N)cc(Cl)n1	93295407	DNISMXHYLRSMEG-UHFFFAOYSA-N	303.709	1.767	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(C)cc(F)c1	94121606	SYFDDBVSZMPSDC-UHFFFAOYSA-N	301.412	1.606	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CSCC(F)(F)F	90406726	UMOJXGDGZJBDOO-UHFFFAOYSA-N	322.308	1.752	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12	247537760	PUDZKPFGXGPFFE-NUZBWSBOSA-N	315.373	1.684	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)c1cncn1-c1ccccc1	1345367933	OXMSHOBPRVAAOJ-UHFFFAOYSA-N	323.356	1.838	50	20	DDGD	
C[C@H]1CCC[C@@H]1NC(=O)NNC(=O)c1ccc2c(c1)OCCO2	264301173	JJMURXPVECPVTE-JQWIXIFHSA-N	319.361	1.590	50	20	DDGD	
CC(C)(C)OC(=O)N(CC(=O)NNc1cnccn1)CC1CC1	266458784	PZASVJUYLMUWBJ-UHFFFAOYSA-N	321.381	1.567	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(CC(=O)N(C)C)cc1	269445005	AEKOMALLGDAZRL-ACCUITESSA-N	301.346	1.700	50	20	DDGD	
O=C(NCCc1nc2ccccc2[nH]1)NNC(=O)C1CCC1	264762477	UHCHHRZEFQMQCK-UHFFFAOYSA-N	301.350	1.236	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H](C)CCCO)cc(C#N)n1C	268640873	HCOXZWPACDZFGR-LLUUXILJSA-N	300.362	1.389	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)COCc1ccccc1)C(C)C	266728843	LDZIKIMVMJTLIT-CQSZACIVSA-N	323.393	1.205	50	20	DDGD	
COC[C@H](C)CNC(=O)NNC(=O)COc1cc(C)cc(C)c1	265583498	RNEDFMVPENEIGO-CYBMUJFWSA-N	323.393	1.295	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)N1CCN(C)CC1)c1cccc(F)c1	278715726	UABRLDBTKSXTOP-LBPRGKRZSA-N	322.384	1.308	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc([N+](=O)[O-])c1)c1ncn(C)n1	275571092	PHPGIIIBDNZBQP-MRVPVSSYSA-N	305.298	1.111	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@]1(C)CCCOC1	272608293	GUYDYRWVVCXADP-MEDUHNTESA-N	324.352	1.557	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(Br)nc1	272684252	ONVNYUXCUXBPLA-UHFFFAOYSA-N	301.144	1.150	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc(-c2ncn(C)n2)cc1	274612165	OQLKLKYAQYXESG-UHFFFAOYSA-N	316.365	1.681	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)[C@@H]1CCCS1	276405453	HJABMOGYSKVQJL-VIFPVBQESA-N	307.404	1.939	50	20	DDGD	
Cn1nc2c(c1NC(=O)C(=O)NNc1ccc(F)cc1)CCC2	273061281	BKIQLPIZSIRDEU-UHFFFAOYSA-N	317.324	1.130	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CCCOC1	272679807	YMKRDWJEMMSLRF-MRXNPFEDSA-N	320.345	1.036	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCCNC(=O)c1ccc(F)cc1	272708644	WWQQLZYQGAKOBD-UHFFFAOYSA-N	324.356	1.028	50	20	DDGD	
COc1cccc(NNC(=O)CC2CCC3(CC2)OCCO3)n1	276535564	MJVULGCNFIOFHM-UHFFFAOYSA-N	321.377	1.857	50	20	DDGD	
COC(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	274324127	YHDDWYOUNMCVMK-MRVPVSSYSA-N	311.725	1.080	50	20	DDGD	
CC(C)SCCNC(=O)NNC(=O)Cc1ccc(F)cc1	287260462	IRWFQSHSAKVHAY-UHFFFAOYSA-N	313.398	1.840	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](C)CNC(=O)OC(C)(C)C)nc1	286895981	XTDWMMWGMDVKLS-SNVBAGLBSA-N	324.381	1.694	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(N2C[C@H](C)O[C@H](C)C2)nc1	286197091	DGQYPTYABXEOAQ-PHIMTYICSA-N	322.365	1.038	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C=C2CCC2)cc1C	281240724	NOZVBYYJFDHPCP-UHFFFAOYSA-N	301.346	1.500	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(OCC(F)(F)F)cc1	286293302	JKRBNOUMTGRPJB-UHFFFAOYSA-N	306.240	1.971	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CCNC(=O)CC(C)C	288568664	FXGWQEUREYEBDI-UHFFFAOYSA-N	322.365	1.899	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2noc3c2CCCC3)n1	288172015	POJCNRFAKHCBRB-UHFFFAOYSA-N	318.337	1.178	50	20	DDGD	
N#Cc1ccc(N2CC[C@@H](C(=O)NNC(=O)C3CC3)C2)c(F)c1	288515695	XIQGUBXFBMLQCI-GFCCVEGCSA-N	316.336	1.081	50	20	DDGD	
CNCC(=O)NNC(=O)c1ccc(OCCC(C)C)c(OC)c1	281392021	DLZUXEKBMRETSA-UHFFFAOYSA-N	323.393	1.101	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2CCc3ccccc3OC2)nn1	374969075	PHDCAWBUYMXBQS-ZDUSSCGKSA-N	313.361	1.805	50	20	DDGD	
CNC(=O)NNC(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1	282992234	KAAFAMGWQBEYAV-ZDUSSCGKSA-N	310.741	1.183	50	20	DDGD	
CCCC(=O)N1CSC[C@@H]1C(=O)NNc1cccc(F)n1	286658321	VDTNXKGVVXESLE-SECBINFHSA-N	312.370	1.365	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCC(=O)c2cnn(C)c2)s1	280721635	XZKXQMNILAIWIN-UHFFFAOYSA-N	320.374	1.214	50	20	DDGD	
CSc1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)cc1	802022555	CCCUFCBBNOMKNS-UHFFFAOYSA-N	302.359	1.692	50	20	DDGD	
CCCN(CC)c1ccc(C(=O)NNC(=O)CC2CC2)cn1	294145906	MAIOLSCPHCCRRB-UHFFFAOYSA-N	304.394	1.879	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)c3cn[nH]c3)cc2C1	298659739	JCEAPFITLQAIDS-MRVPVSSYSA-N	304.375	1.671	50	20	DDGD	
COc1c(C(=O)NNC(=O)Nc2ccccc2)c(C)nn1C	801987006	MQZBIOFRGPJWQO-UHFFFAOYSA-N	303.322	1.204	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)NCc2ccc(F)cc2F)O1	297184290	KNAOFHMPSQQKRX-UFBFGSQYSA-N	313.304	1.363	50	20	DDGD	
CC(=NNC(=O)c1cc(C)[nH]n1)c1cccc(-n2ccnn2)c1	807975704	FEXUUFYLFPUBFF-UHFFFAOYSA-N	309.333	1.453	50	20	DDGD	
CC(C)c1ccc(OCC(=O)NNC(=O)N2CCOCC2)cc1	299341713	DZRKBOKMARWOIX-UHFFFAOYSA-N	321.377	1.262	50	20	DDGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)COC(F)F)c1C	806864412	LFKXRBWHQNWFCR-UHFFFAOYSA-N	323.303	1.838	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C2(OC)CCCC2)cc1	802059686	OZWIGJRFZJHKRT-UHFFFAOYSA-N	307.350	1.807	50	20	DDGD	
O=C(CC[C@@H]1CCCO1)NNC(=O)COc1ccccc1F	298264927	AIOKPFMVQIXMLU-NSHDSACASA-N	310.325	1.311	50	20	DDGD	
COC(=O)Cn1ccc(NC(=O)NNc2cccc(Cl)n2)n1	814641409	CLSJSCHCZYIVOR-UHFFFAOYSA-N	324.728	1.253	50	20	DDGD	
COC(=O)c1cncc(C(=O)NNc2cccc(Cl)n2)c1	817008456	SOOAIHKIHRLMBR-UHFFFAOYSA-N	306.709	1.674	50	20	DDGD	
CO[C@@H]1CCC[C@@H](C(=O)NNC(=O)Cc2ccccc2C)C1	814410311	IBVQQCUGYYQVBV-HUUCEWRRSA-N	304.390	1.890	50	20	DDGD	
Cc1c(C(=O)NN(C)C2CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]	819646056	IYKKMUFCCGYHLN-UHFFFAOYSA-N	308.294	1.859	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNC(=O)CCc1ccccc1	810284777	WUMDXNWXMYEKPG-UHFFFAOYSA-N	306.365	1.991	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	812454515	MXLNFTJULVWJLQ-WDEREUQCSA-N	322.361	1.137	50	20	DDGD	
O=C(C[C@H]1CCC(=O)N1)NNc1cccc(C(F)(F)F)c1	816916636	MOLGZWFNXBFYOB-SECBINFHSA-N	301.268	1.817	50	20	DDGD	
C[C@H]1CC(=NNC(=O)CNC(=O)c2ccco2)CC[C@H]1C(=O)O	814827086	UFXYANLEQRBKFC-GXSJLCMTSA-N	321.333	1.002	50	20	DDGD	
C[C@H]1C(=NNC(=O)C(=O)Nc2ccccn2)CC[C@@H]1CC(=O)O	814869604	QSPLVNSFKOFDTF-NXEZZACHSA-N	318.333	1.013	50	20	DDGD	
Cc1nc(-c2ccc(C(=O)NNc3ncncc3F)cc2)n[nH]1	817080392	MOOBFIYDEJLSCK-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
COc1ncccc1C(=O)NNc1nc(-c2cccnc2)no1	728075947	CEOGRJSRYKEBBI-UHFFFAOYSA-N	312.289	1.292	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C1(C)CCOCC1	726767310	OMAHVRYIZOTWHE-LLVKDONJSA-N	324.352	1.557	50	20	DDGD	
Cc1cc(C)n(CCCC(=O)NNC(=S)N[C@H](C)C2CC2)n1	824446503	LYRHJMKNRYRENH-GFCCVEGCSA-N	323.466	1.574	50	20	DDGD	
C[C@H](CN(C)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccccc1	827306069	CMHGPLVAMDXGFQ-UMVBOHGHSA-N	319.405	1.888	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)N[C@H]2CO[C@@H](C)C2)c1	828420424	KYRRUCQTSIMFHH-QWHCGFSZSA-N	321.377	1.190	50	20	DDGD	
O=C(/C=C\[C@H]1CCOC1)NNC(=O)Nc1cc(F)cc(F)c1	493617007	HIWXRRSJNHPMBL-IYABHPQVSA-N	311.288	1.710	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc(S(=O)(=O)C2CC2)cc1	822203881	UHERMRCRPFAGDE-UHFFFAOYSA-N	310.375	1.040	50	20	DDGD	
Cc1ccc(NNC(=O)NCCc2nnc(S)n2C)cc1F	820289738	JNXXYDCJFWCPBZ-UHFFFAOYSA-N	324.385	1.420	50	20	DDGD	
CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NNc1cnccn1	825849968	LCLCFBSSBYJQJQ-NSHDSACASA-N	307.398	1.497	50	20	DDGD	
COCC[C@@H](C)NC(=O)NN=c1sc2ccccc2n1C	725868522	WKVKNGQKRAJUJR-SNVBAGLBSA-N	308.407	1.780	50	20	DDGD	
Cc1ccc([C@@H]2C[C@H]2NC(=O)NNC(=O)c2ncccn2)cc1	826980147	ZTOQFDAKDSWRQA-QWHCGFSZSA-N	311.345	1.285	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H](CO)Cc1ccncc1	490695312	MTLBUIPQYFKORI-LRQZKABGSA-N	323.352	1.414	50	20	DDGD	
Cc1ncccc1C=NNC(=O)c1ccc(-n2cnnn2)cc1	728778746	GKRBTHNHZCAMSK-UHFFFAOYSA-N	307.317	1.130	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)/C(C#N)=C\c1cnn(C)c1	491044891	DGFSISLPLUMDAW-DIUIJLDWSA-N	300.362	1.424	50	20	DDGD	
O=C(C[C@@H]1CC[C@@H]2C[C@@H]12)NNc1nccc(N2CCOCC2)n1	826966868	VOMWRMUTBLZONV-FRRDWIJNSA-N	317.393	1.193	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(OC)cc1Br	495691923	DZLDVKCUBQTDDP-UHFFFAOYSA-N	317.139	1.801	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1c(Cl)nc(Cl)n1C	728437416	BWCHKUPDPCSSCK-FNORWQNLSA-N	303.149	1.396	50	20	DDGD	
CCCCC[C@H](O)C(=O)NNc1nc(-c2ccncc2)no1	822979746	FMKWCATWHNNQRE-NSHDSACASA-N	305.338	1.516	50	20	DDGD	
CC(C)(C)OCC(=O)NNC(=S)NCCc1cccs1	820171315	LXJRKLKISAZHMH-UHFFFAOYSA-N	315.464	1.601	50	20	DDGD	
CCOc1cc(Cl)ccc1CNCc1ccccc1B(O)O	585029853	JWHKLWLHEWBZKM-UHFFFAOYSA-N	319.597	1.708	50	20	DDGD	
C=C(C)[C@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)OCC	823873135	JGLSICBIQWHMEU-ZDUSSCGKSA-N	316.365	1.681	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NCCCS(C)(=O)=O)c(C)c1	732891950	WLDDMJKLTIXSAZ-UHFFFAOYSA-N	313.423	1.673	50	20	DDGD	
CCc1cc(NNC(=O)c2cnc[nH]2)nc(-c2ccccn2)n1	738530445	HPFUAHPATDDBMZ-UHFFFAOYSA-N	309.333	1.581	50	20	DDGD	
CCOCC(=O)NN=C(C)c1ccc(N2CCCC2=O)cc1	731154019	PKVRPBHHSZLXJR-UHFFFAOYSA-N	303.362	1.690	50	20	DDGD	
O=C(CCCCN1CCCC1)NNC(=O)Cc1ccccc1F	731344351	HFDLAWCFFCYKDK-UHFFFAOYSA-N	321.396	1.782	50	20	DDGD	
CCn1cc(C=NNC(=O)COc2cc(C)cc(C)c2)nn1	901129667	GQOLUYKGZJYLAL-UHFFFAOYSA-N	301.350	1.444	50	20	DDGD	
CC[C@H](Cc1ccccc1)C(=O)NNC(=O)C(=O)N1CCCC1	732755116	ORWNVCNEWMEQRA-CQSZACIVSA-N	317.389	1.025	50	20	DDGD	
CC[C@@H]1C[C@H](C)CN1CC(=O)NNC(=O)Cc1ccccc1C	839505384	QOAZSSABAXTZNW-XJKSGUPXSA-N	317.433	1.805	50	20	DDGD	
COC(=O)N1CCN(C(=O)[C@]2(C)C[C@@H]2Br)CC1	906345947	XLMGNQSTKXDECY-GZMMTYOYSA-N	305.172	1.071	50	20	DDGD	
OB(O)c1cccc(CNC[C@@H]2[C@@H]3CCc4ccccc4[C@H]32)c1	585027977	CFIABXYKVCYIHQ-IPMKNSEASA-N	307.202	1.432	50	20	DDGD	
Cc1cc(O)cc2c1C(=O)C(=NNC(=O)[C@H]1CCCCO1)O2	834989007	OPZULNDKTYBNHN-SNVBAGLBSA-N	304.302	1.275	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCCN1CCC(O)CC1	837020139	CACQNTFMXUTJEX-LLVKDONJSA-N	321.259	1.369	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)C(=O)NNC(=O)c1cccc(Cl)c1	837309821	WYXMAYBZQOMDKD-SNVBAGLBSA-N	320.780	1.713	50	20	DDGD	
COC(=O)c1cc(OC(=O)[C@@H](C)n2cccn2)ccc1[N+](=O)[O-]	732652032	YLTKIHJYWZMNDF-SECBINFHSA-N	319.273	1.745	50	20	DDGD	
CCN1CCC(CNC(=O)NNc2ncc(F)cc2F)CC1	838157945	TWUAYCQVBLHGAE-UHFFFAOYSA-N	313.352	1.718	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)Nc2ccccc2C)n[nH]1	738477619	QFPIMMRTLILOCI-UHFFFAOYSA-N	302.338	1.562	50	20	DDGD	
CC(=NNC(=O)c1nnc(O)c2ccccc12)c1nccs1	732622845	XPBIHIBPAXYAND-UHFFFAOYSA-N	313.342	1.946	50	20	DDGD	
CC1(C)CCCC[C@H]1NC(=O)NNC(=O)N=c1cc[nH]cc1	836359280	VJJWMWKEPMNABT-GFCCVEGCSA-N	305.382	1.808	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)COC(=O)C2CC2)cc1C	736743274	KOMSOZOXUTWFKS-UHFFFAOYSA-N	310.375	1.333	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)COCC1CCCC1	839477468	FTPLJOVPLWEYRK-UHFFFAOYSA-N	305.378	1.453	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(CCCCNCc2ccc(B(O)O)cc2)C1	585015537	DXSYVRGJADDVHO-IYBDPMFKSA-N	318.270	1.214	50	20	DDGD	
C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N1CC[C@@H](B(O)O)C1	585077684	TXKIMKWIOMYDLP-SMDDNHRTSA-N	303.167	1.018	50	20	DDGD	
CCO[C@H](CCNCc1ccc(B(O)O)cc1)C1CCCC1	585026762	RQUYOYPBFYDGEN-QGZVFWFLSA-N	305.227	1.441	50	20	DDGD	
C=CCOc1cccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	831352720	ZVGWARYRFAVWCC-BXUZGUMPSA-N	319.361	1.829	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Nc1nc2n(n1)CCCC2	836774300	KAOWBULVROQACB-UHFFFAOYSA-N	314.349	1.389	50	20	DDGD	
COCCOCCNC(=O)NNc1cc(C(F)(F)F)ccn1	836255594	WIJZFGYUFHWEQJ-UHFFFAOYSA-N	322.287	1.390	50	20	DDGD	
COCCN(C)c1ccc(C=NNC(=O)[C@H]2CCCCO2)cn1	834985749	JWOBHSZLPWFZHL-CQSZACIVSA-N	320.393	1.183	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NNC(=O)[C@H]1CCCCO1	833778332	BEJYPDCEGCBRQQ-BDAKNGLRSA-N	321.215	1.513	50	20	DDGD	
O=C(NNC(=O)c1nccn2ccnc12)c1cc2ccccc2o1	749473151	ATFVWQTVRKHXNQ-UHFFFAOYSA-N	321.296	1.550	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNc1cnc2ccccc2n1	839741773	XBQQQDGGQMHJQM-JTQLQIEISA-N	302.334	1.662	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1ccccc1O)c1cnn(C)c1	839473135	KZVXHCOTSHASIB-JTQLQIEISA-N	302.334	1.081	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccccc1NCc1ccco1	910140554	JTRVLISBWUQVAR-LBPRGKRZSA-N	303.362	1.849	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)CC(F)(F)F)cc1F	918070791	AESQHZWIEYVMGN-UHFFFAOYSA-N	323.246	1.617	50	20	DDGD	
CCc1ccc(NC(=S)NNC(=O)C(=O)N2CCCC2)cc1	748157116	JHUCKIIPELDPNU-UHFFFAOYSA-N	320.418	1.189	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccc([N+](=O)[O-])s2)n1	740102115	BRJGLPFERJCCPD-UHFFFAOYSA-N	308.323	1.269	50	20	DDGD	
Cc1occc1CNC(=O)NNC(=O)CCOc1ccccc1	747304628	LXBRAEHTHVQFEJ-UHFFFAOYSA-N	317.345	1.888	50	20	DDGD	
COCCOCC(C)=NNC(=O)COc1cc(C)ccc1C	741161307	OGPMVURQTQAQSZ-UHFFFAOYSA-N	308.378	1.837	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)[C@H](C)OCCOC	748613082	CYVMYRGQXNUQAU-YNEHKIRRSA-N	315.414	1.337	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NC2CCCC2)c(C2CCC2)n1	840294290	UUOXXECKMBCLLO-UHFFFAOYSA-N	305.382	1.574	50	20	DDGD	
CCOc1cc(C=NNC(=O)[C@H](C)OCCOC)ccc1OC	748260345	RKONOOGHTONBPB-LBPRGKRZSA-N	324.377	1.596	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc2c1CCCC2	843661925	QZZVZKCNEXBWCI-DGCLKSJQSA-N	302.374	1.751	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cccc(NC(N)=O)c2)n1	746627053	DLRQJSWYSHTXHV-UHFFFAOYSA-N	316.321	1.041	50	20	DDGD	
COc1cc(C(=O)NN=Cc2ccncc2)cc(OC)c1OC	916290157	IILZBCLQOHQIAO-UHFFFAOYSA-N	315.329	1.871	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1csc(-c2cnn(C)c2)n1	916147690	KAWKWUODFLPOEL-UHFFFAOYSA-N	307.379	1.351	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C1CC(NC(=O)OC(C)(C)C)C1	842548845	CTXRFFWTJPSSFS-VULFSTHESA-N	311.382	1.571	50	20	DDGD	
Cc1ccc(NNC(=O)NCCN2CCCC2=O)c(Cl)c1	845487883	YMDLGBLXZUOBGC-UHFFFAOYSA-N	310.785	1.897	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CC1(CSC)CC1	844351597	XDAFZTKPWCCGRW-UHFFFAOYSA-N	322.430	1.918	50	20	DDGD	
CC1(C)CN(C(=O)[C@]2(C)C[C@H]2Br)C[C@@H](CO)O1	911175923	HSKHRJHJZFCPOP-YGOYTEALSA-N	306.200	1.158	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(F)cc2nccnc12	918689008	NYKZAMZQOPBGCF-UHFFFAOYSA-N	305.338	1.064	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=C1CCC[C@@H](c2ccnn2C)C1	842557044	CUVNCPZPUCJFMI-OUCADQQQSA-N	304.394	1.975	50	20	DDGD	
Cc1ccccc1[C@@H]1C[C@H]1NC(=O)NNC(=O)[C@@H]1CCCCO1	845378642	RZOCKARKEDRVOU-ZNMIVQPWSA-N	317.389	1.750	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCCC1	748136903	WLLDXJQZZNDUFT-UHFFFAOYSA-N	324.724	1.321	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cccc(OC(F)F)c1)[C@H](C)O	842232931	WQYGQZMICIKJGE-GZMMTYOYSA-N	316.304	1.456	50	20	DDGD	
C[C@H]1CC(C)(C)CCC1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	748249066	QCKYGCYABBZVGG-WDEREUQCSA-N	315.439	1.675	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@@H](C)Sc1ccccc1	745901179	AJFZTEGUTISYJQ-LLVKDONJSA-N	311.407	1.534	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=Cc1ccn(C)c1	749857016	AFBQLTYWWYWIHU-UHFFFAOYSA-N	301.346	1.953	50	20	DDGD	
Cc1nc(CCC(=O)NNc2ncnc3[nH]cnc23)cs1	743471810	XTIYEFPQHQMFOY-UHFFFAOYSA-N	303.351	1.194	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)c2cccc(Cl)n2)cc1	749563486	MJRVSKRCGJLXOX-UHFFFAOYSA-N	319.748	1.747	50	20	DDGD	
O=C(NNS(=O)(=O)CCc1ccccc1Cl)C1CCC1	849307708	CVKRRUNWWYESGR-UHFFFAOYSA-N	316.810	1.633	50	20	DDGD	
CC(C)C[C@@H](CN)NC(=O)NNC(=O)c1c[nH]c2ccccc12	841954955	XMWRCVKXQPTMRS-NSHDSACASA-N	317.393	1.485	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)N[C@H](CO)CCF	846711810	PDNPQQQSQWAKFX-JTQLQIEISA-N	309.297	1.097	50	20	DDGD	
NC[C@H](NC(=O)NNc1cccc(Br)n1)C1CC1	841945514	PFUCACLLLHVMSY-QMMMGPOBSA-N	314.187	1.208	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(-n2cccc2)nc1	843652457	JKOBTZPAFXIXLK-WCQYABFASA-N	314.345	1.058	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1ccc(N(C)C)cc1	748137864	XLMYKBYDDMRHER-UHFFFAOYSA-N	302.378	1.215	50	20	DDGD	
CC1(CNC(=O)NNc2cccc([N+](=O)[O-])c2)CCNCC1	841969651	NBFMXCCBDQHOSS-UHFFFAOYSA-N	307.354	1.611	50	20	DDGD	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NNC(=O)NC1CC1	920823233	GZYBUQKXHXPTPG-XBFCOCLRSA-N	311.426	1.957	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)COc1ccc(C)c(C)c1)C1CC1	858130396	JRLJQOLQAXAJAJ-MRXNPFEDSA-N	320.389	1.645	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)c1cccc(F)n1)N1CCCCC1	852184887	IMINHPUOQYKHMQ-LLVKDONJSA-N	323.372	1.039	50	20	DDGD	
COC1CCC(CC(=O)NNC(=S)NC(C)(C)C)CC1	759759299	YZFFOPBKMREMPE-UHFFFAOYSA-N	301.456	1.876	50	20	DDGD	
N#CSCCCNC(=O)CCc1nc(O)c2ccccc2n1	854363806	NSJBMEOJRZNUAU-UHFFFAOYSA-N	316.386	1.989	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)C1=NN(CCO)C(=O)CC1	928340552	USZUCJQRAZQFLY-UHFFFAOYSA-N	324.768	1.062	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)NCCN1CCNC1=O	924046544	LJANLWJGYNOWOG-UHFFFAOYSA-N	311.773	1.300	50	20	DDGD	
Cn1cnc2cc(C(=O)NNC(=O)NCc3ccco3)ccc21	753488988	VQVPUHTWGVUQME-UHFFFAOYSA-N	313.317	1.311	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])[C@@H]1Cc2ccccc2O1	759301472	QMZUNBOUNJPEMQ-LBPRGKRZSA-N	300.274	1.437	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCCOC(C)C)cc1C	758717581	IAGCSBKAFXFFSI-UHFFFAOYSA-N	323.393	1.438	50	20	DDGD	
O=C(NNC(=O)c1cc(O)nc(C2CC2)c1)OCC(F)(F)F	856023115	ZAINJYVBVGRMEK-UHFFFAOYSA-N	319.239	1.598	50	20	DDGD	
CCOC[C@@H](NC(=O)NNC(=O)c1cccc(F)n1)C(C)C	852274440	JXMOLRUOBFFRSM-LLVKDONJSA-N	312.345	1.226	50	20	DDGD	
CCn1cc(CNC(=O)NNC(=O)Nc2ccccc2C)nn1	852536243	DECAXCRXMDEWIJ-UHFFFAOYSA-N	317.353	1.142	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H](C)[C@H](C)S(C)(=O)=O)cc1F	856227987	OYDQVEBFBQLDLU-ZJUUUORDSA-N	302.371	1.646	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CCOC(C)(C)[C@@H]2C)c1	858706145	MQZIYBYTCFWXEJ-JTQLQIEISA-N	311.407	1.910	50	20	DDGD	
CC(C)CC1(NCC(=O)NNC(=O)c2ccc(F)cc2)CC1	852682844	NTERMYPKOSNQJB-UHFFFAOYSA-N	307.369	1.755	50	20	DDGD	
CO[C@H](C=NNC(=O)c1cccc(S(C)(=O)=O)c1)C1CC1	853290360	WTBBQNFINPYQMX-CYBMUJFWSA-N	310.375	1.231	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cccn1Cc1ccncc1	751296207	GTLCWXWIFSOIDH-UHFFFAOYSA-N	323.356	1.345	50	20	DDGD	
CC(C)(C)n1nnc(C=NNC(=O)COc2ccc(F)cc2)n1	853274337	MPRKIZDJFCGTAD-UHFFFAOYSA-N	320.328	1.096	50	20	DDGD	
NCCCCCC(=O)NNC(=O)Nc1cc(F)cc(F)c1	857766388	MLNIGQHPSAINSQ-UHFFFAOYSA-N	300.309	1.637	50	20	DDGD	
CC(=NNC(=O)Cc1nc(C)cs1)c1cc(O)cc(O)c1	753694487	GCOHOWKYDMLSEG-UHFFFAOYSA-N	305.359	1.946	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)CC(C1CCC1)C1CCC1	858167840	JUZYEWOUTVIQQV-UHFFFAOYSA-N	309.410	1.265	50	20	DDGD	
C[C@H](CCNC(=O)NC[C@]1(C)C[C@@H]1Br)N(C)C	856961460	ZVFOQNLNIKBFGC-SCVCMEIPSA-N	306.248	1.799	50	20	DDGD	
C[C@](NC(=O)NNC(=O)c1ccnnc1)(C1CC1)C(F)(F)F	933577079	ZABUBZHWBFDOCB-NSHDSACASA-N	317.271	1.152	50	20	DDGD	
Cc1ccnn1CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	858130903	CLCCCPPGTFNHGY-UHFFFAOYSA-N	316.405	1.555	50	20	DDGD	
Cc1cc(C(F)(F)F)nn1CC(=O)NCCCSC#N	854360149	HZGOJTYMJIBNCW-UHFFFAOYSA-N	306.313	1.931	50	20	DDGD	
O=C(NNC(=O)C1(C(F)(F)F)CCC1)c1cccc(F)n1	856426700	FILWLRWDDMVJNS-UHFFFAOYSA-N	305.231	1.714	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=Cc2cc(F)ccc2O)cc1	755511386	RWWBXSHPPPWJAX-UHFFFAOYSA-N	313.288	1.932	50	20	DDGD	
CN(C[C@@H]1COCCO1)/C(=C/C#N)c1cccc([N+](=O)[O-])c1	852496973	UMHATVZIVPIKEH-YWKRCKIVSA-N	303.318	1.806	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C[C@H](C)c2ccccc2)n[nH]1	869012910	HGSCCSBRWPMUDL-NSHDSACASA-N	300.362	1.602	50	20	DDGD	
C[C@@H](C(=O)NNc1ncnc2ccsc12)[C@@H]1CCC(=O)N1	860197315	UCMGYJXJGRFDMX-SFYZADRCSA-N	305.363	1.049	50	20	DDGD	
COc1ccc2c(c1)OC[C@H]2CC(=O)NNC(=O)NC(C)C	760379568	MRISEQOXUOOMHC-SNVBAGLBSA-N	307.350	1.300	50	20	DDGD	
CCCOc1cccnc1C(=O)NNc1ncccc1[N+](=O)[O-]	760851274	WHNIPZMYYNTYOG-UHFFFAOYSA-N	317.305	1.931	50	20	DDGD	
CCCN(CC(=O)NNC(=O)c1ccc(C)cc1)CC(C)(C)O	761952267	NMVWQAMSZDLJFV-UHFFFAOYSA-N	321.421	1.239	50	20	DDGD	
O=C(CCOC[C@@H]1CCCO1)NNCC(F)(F)C(F)(F)F	863093474	NLIBVGAXHGTACT-QMMMGPOBSA-N	320.258	1.391	50	20	DDGD	
COC[C@@](C)(NC(=O)NNc1cccc(F)n1)C(F)(F)F	932323390	OPZKFPPNOFYCFW-SNVBAGLBSA-N	310.251	1.814	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1cnc2c(c1)CCCC2	763881494	GGVBVSBMZUPZHZ-UHFFFAOYSA-N	318.377	1.092	50	20	DDGD	
CN(C)c1nccc(NNC(=O)CSCC(F)(F)F)n1	762247644	OOQPSZYMDVBESW-UHFFFAOYSA-N	309.317	1.281	50	20	DDGD	
COC(=O)c1cc(C(=O)NN[C@H](C)C(F)(F)F)ccc1C	869377280	WBHIBOFUPZEGQF-MRVPVSSYSA-N	304.268	1.967	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](C)c1cccc(O)c1	935868670	DRSZWHVFZDOCKJ-NSHDSACASA-N	324.377	1.432	50	20	DDGD	
COC(=O)C1(CS(=O)(=O)NCC(Cl)Cl)CCC1	867471165	XJHLTICFRRCXBJ-UHFFFAOYSA-N	304.195	1.053	50	20	DDGD	
CC(=O)c1cccc(OCC(=O)NN[C@H](C)C(F)(F)F)c1	862304024	GFAVAWOLUGVIHX-SECBINFHSA-N	304.268	1.840	50	20	DDGD	
COCC(=O)NN=Cc1ccc(OC)c(Br)c1	761815936	BVNGKNLHFHQWQU-UHFFFAOYSA-N	301.140	1.554	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCC(=O)NC1CCCC1	767921126	UNMOIJTYZZXZEV-NSHDSACASA-N	319.243	1.971	50	20	DDGD	
CCCCOc1ccccc1C=NNC(=O)[C@@H]1CCC(=O)N1	863153584	XBAZCWIWSCAYSW-ZDUSSCGKSA-N	303.362	1.594	50	20	DDGD	
C[C@H](NNC(=O)CCN(C)C(=O)OC(C)(C)C)C(F)(F)F	862319937	NFCZNFOMSBWTKO-QMMMGPOBSA-N	313.320	1.815	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1c(C(F)F)nc2n1CCCC2	867277653	CJICEIWCSUUOML-UHFFFAOYSA-N	315.324	1.463	50	20	DDGD	
CCC(CC)[C@@H](C)C(=O)NNC(=O)CNC(=O)c1ccco1	761405616	FWZWOHXGGHLNHD-SNVBAGLBSA-N	309.366	1.229	50	20	DDGD	
CN=[S@@](C)(=O)c1cccc(NCc2ccccc2B(O)O)c1	864013880	GUCKPHFFARQPLY-QFIPXVFZSA-N	318.207	1.065	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N[C@@H]2C[C@H]2C(F)(F)F)cc1	868178789	WWDJOAKRYWJQAR-NXEZZACHSA-N	312.251	1.453	50	20	DDGD	
CCSc1cccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1	1118912292	VWOTULDRENOEPU-NSHDSACASA-N	322.390	1.230	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CCc1nc(C)cs1	766634129	YIFHWIORQRBWOU-UHFFFAOYSA-N	319.386	1.854	50	20	DDGD	
O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1O)N[C@H]1C=CCCC1	1116256202	BNFYDAORTJFGGG-VIFPVBQESA-N	320.305	1.353	50	20	DDGD	
COc1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)ccn1	1115842793	NCBCKAPFRWIOHH-UHFFFAOYSA-N	303.293	1.233	50	20	DDGD	
COc1cc(CCNC(=O)NN=c2cc[nH]c(C)c2)ccc1C	1119153361	VFATVDYIQUJOSF-UHFFFAOYSA-N	314.389	1.998	50	20	DDGD	
Cc1cc(C(=O)NNc2ccccc2S(C)(=O)=O)ns1	768073485	WBZLNBAZPSOXOP-UHFFFAOYSA-N	311.388	1.612	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cc(CN(C)C)on1	1117291288	AOSAQMLXMQGRAC-UHFFFAOYSA-N	319.321	1.710	50	20	DDGD	
COC(=O)/C=C1/SCC(=O)N1CCCN1CC=C(C#N)CC1	779589975	MHIRLQICNQHHDQ-NTEUORMPSA-N	321.402	1.122	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1nnc(C(C)(C)C)s1	875371132	BJDLKVHOMZFIEN-UHFFFAOYSA-N	301.372	1.248	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](C)COc1ccc(F)cc1F	875145138	ITTBSVPKNWOBFR-QMMMGPOBSA-N	317.292	1.645	50	20	DDGD	
CCC(=O)Nc1ccc(C)c(NC(=O)NN(C)CCOC)c1	878260590	BTLKIPKQTBYNCL-UHFFFAOYSA-N	308.382	1.958	50	20	DDGD	
COc1ccc2c(c1)CCC2=NNC(=O)CN1CCCC1=O	872335840	XRGDQYICPMZLCH-UHFFFAOYSA-N	301.346	1.084	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H](C[C@@H](C)O)c1ccccc1	875375731	ABAPBURQXFICLP-DGCLKSJQSA-N	309.366	1.454	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCc2sccc21	772206600	IFEMBKDOYSFMPO-MWLCHTKSSA-N	324.402	1.657	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccccc1-n1cccc1	772219774	LOJJVDBUJPXXGP-HNNXBMFYSA-N	313.357	1.807	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)NCCc2ccco2)c1	776608511	IQSMBWYDAFSSOY-UHFFFAOYSA-N	323.374	1.552	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1c(C)nn(C(C)C)c1C	779818480	RHHCDKOGAFJVGC-UHFFFAOYSA-N	309.370	1.277	50	20	DDGD	
CC/C(C)=C(/C)C(=O)NNC(=O)[C@H]1COc2ccccc2O1	779718536	GVMSQZHRGNUERZ-IWMPZKFUSA-N	304.346	1.720	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNc2cnccn2)cc1F	770072063	WCXYVUBRFUVSIV-UHFFFAOYSA-N	305.269	1.551	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)/C=C/c1ccco1	771889544	LSOWFQWCGQLFIF-MLRMMBSGSA-N	308.334	1.418	50	20	DDGD	
CCC[C@H](C(=O)NNC(=O)c1cccn1C)c1ccccn1	774325545	WHLIADZUQRCLDQ-LBPRGKRZSA-N	300.362	1.765	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCCCl)C(=O)N1CCCC[C@H]1C	881854708	IQSATUXPPACZTK-GHMZBOCLSA-N	310.847	1.324	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N(C)C)c(OC(F)F)c1	789748232	OFDDRMUVOGEDCG-UHFFFAOYSA-N	303.265	1.213	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](O)[C@@H](C)c1ccccc1F	887153172	KHJQRGKZPBPSPA-XHDPSFHLSA-N	306.337	1.241	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H]1CN(C)C(=O)c2ccccc21	787576142	DBIMDPUVCYWCGC-AWEZNQCLSA-N	310.357	1.703	50	20	DDGD	
O=S(=O)(CCCCl)N1CC[C@@H](O)[C@H](C2CCCC2)C1	882254889	QPKZMBULFVODFP-QWHCGFSZSA-N	309.859	1.818	50	20	DDGD	
Cc1nc(N2CCOCC2)sc1C(=O)NN=CC1(C)CC1	782157887	GODASIYXVVGGKA-UHFFFAOYSA-N	308.407	1.804	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CCCn1ccnc1C	780730904	DZPSTHWELFHKLE-UHFFFAOYSA-N	316.361	1.902	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N[C@H]1CC(C)(C)OC1(C)C	781917973	OUSNVGZQGRXABL-RYUDHWBXSA-N	313.442	1.504	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)/C(C#N)=C\c1ccc(O)cc1	899996639	ZFEFSSHKVDNIDN-FLIBITNWSA-N	318.402	1.593	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)CCc1ccccc1	788231133	DIIHGNGIRCSOBF-UHFFFAOYSA-N	319.386	1.410	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1n[nH]c2c1CCCCC2	789904704	ITOLZDYPOYCOKK-UHFFFAOYSA-N	316.321	1.739	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCc2nn[nH]c2C1	787079162	QHYZLDZUNZLVFJ-VIFPVBQESA-N	301.188	1.499	50	20	DDGD	
Cc1ccc(F)cc1NC(=O)C(=O)NNc1ncncc1Cl	782159256	GFMYMLWEWQHKAJ-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
CC(C)(C)n1cc(C=NNC(=O)Cc2ccccc2F)nn1	790161322	FGUUSSIMHGNCDD-UHFFFAOYSA-N	303.341	1.865	50	20	DDGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1cnnn1C	799005752	SVONSFVVKZRUGQ-UHFFFAOYSA-N	318.406	1.570	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)NCCCCC(F)(F)F)n[nH]1	794981888	ANQIXFTVDOTOQH-UHFFFAOYSA-N	323.344	1.560	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)c3ccccc3)cc2n1C	792774945	HZAUIDPEWOZLRP-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
Cc1cccnc1NNC(=O)c1ccccc1SCC(N)=O	791216374	RYHSBYQQPWHBJQ-UHFFFAOYSA-N	316.386	1.724	50	20	DDGD	
Cc1cc(C(=O)NN=C2CC[C@@H](C)C[C@H]2n2cncn2)n[nH]1	794523396	BKZQTWIFQLSURV-NOZJJQNGSA-N	301.354	1.457	50	20	DDGD	
COc1cc2c(cc1/C=C(/C#N)S(=O)(=O)N(C)C)OCO2	794956976	LQHWXVIWSNGVDD-WMZJFQQLSA-N	310.331	1.180	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)c1ccc[nH]1)CN1CCCC1	790712366	ZMFIYINHCJPNMM-UHFFFAOYSA-N	307.398	1.081	50	20	DDGD	
O=C(NCc1ccccc1)NNc1ccc(-n2ccnc2)nn1	794798768	HWKIKMQSYNCYBL-UHFFFAOYSA-N	309.333	1.489	50	20	DDGD	
C[C@H]1COC(=O)C1=NNC(=O)c1nnc(-c2ccccc2)o1	794900959	IMDOWHBSBQRMHP-QMMMGPOBSA-N	300.274	1.015	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)c2cccc(C)n2)n(C)c1	794089055	ADUGNHXDTNVPDM-UHFFFAOYSA-N	300.318	1.006	50	20	DDGD	
COCc1cc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])no1	790585274	MWRRMVSKOCYPKD-UHFFFAOYSA-N	310.241	1.625	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1csc(O)n1)c1ccccc1	792159738	SVAXUASISXNCEA-UHFFFAOYSA-N	305.359	1.588	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ncccc2C)ccc1F	792375022	CKABIXANTFBPSS-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
CC[C@@H]1C[C@H]1NC(=O)NNC(=O)COc1ccccc1[N+](=O)[O-]	798120281	FTCQZWRTASUTFA-NXEZZACHSA-N	322.321	1.103	50	20	DDGD	
O=C1Nc2ccc(F)cc2C1=NNC(=O)c1ccc(O)c(O)c1	794556280	SHDZUOPONLTZBJ-UHFFFAOYSA-N	315.260	1.323	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1ccc(-n2cncn2)c(F)c1	794958892	VJGQGDHZSUZXRZ-VZUCSPMQSA-N	321.337	1.162	50	20	DDGD	
COC(=O)NCCC(=O)NNc1ccc(Cl)c(OC)c1	790188065	VYXSUWMSWGMGLY-UHFFFAOYSA-N	301.730	1.538	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccccc1Cl)c1cnn(C)c1	1323561789	OXKBYSTWZQCMML-VIFPVBQESA-N	306.753	1.638	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2nncc(N)c2Cl)n(C)n1	1324008774	FHMMBRZRBXGNQD-UHFFFAOYSA-N	309.761	1.326	50	20	DDGD	
CC(=NNC(=O)C[N+](C)(C)C)[C@H](C)Cc1ccccc1[N+](=O)[O-]	1325011052	JDUSPXQHIGFQEH-GFCCVEGCSA-O	321.401	1.972	50	20	DDGD	
CSc1cccc(NC(=O)C(=O)NNc2cccnn2)c1	1326089600	IJNGKTOAJFJMGI-UHFFFAOYSA-N	303.347	1.280	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)c2cccnn2)[C@H](C)C1	1333197650	HAHPMOKZBIFKOD-MNOVXSKESA-N	304.350	1.562	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC2CCC(C)(O)CC2)cc1	1335089551	JNKYLHPJZZWVQF-UHFFFAOYSA-N	321.377	1.333	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C1(C(=O)OC(C)(C)C)CCC1	1261661056	FCNMDZWMTFXCMR-UHFFFAOYSA-N	315.439	1.402	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)CN3C2)nc1	1346650777	YVIBIJITIAMDHH-JHJVBQTASA-N	304.394	1.654	50	20	DDGD	
CN1CCCC[C@H]1CNC(=O)NNC(=O)c1cccc(Cl)c1	1342123007	FOJUBKDVMCEGNR-ZDUSSCGKSA-N	324.812	1.768	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H](C(C)C)N1Cc2ccccc2C1=O	1350707273	MWVGJIJPQAJRBI-CYBMUJFWSA-N	318.377	1.017	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(-c2cn[nH]c2)cc1	1520825185	TWTKHUADOMQKLM-UHFFFAOYSA-N	301.350	1.821	50	20	DDGD	
Cc1ccc(C(=O)NNc2cc(Cl)nc(N)n2)cc1C(=O)O	1600340890	BMFKNJYCYUSART-UHFFFAOYSA-N	321.724	1.476	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N[C@H]1C[C@@H](C(=O)O)C1)c1ccccc1	1604869242	OCTLDIORCGNDEP-FRRDWIJNSA-N	319.361	1.374	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCOC[C@@H]1CC(=O)O	1601044943	FJUWMLNNMFKSML-OTAKNEKHSA-N	316.313	1.001	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNc2ccc(F)c(C(=O)O)c2)c1	1608244646	CHLFERDJQPWVBG-UHFFFAOYSA-N	317.276	1.380	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CCc2ocnc2C(=O)O)c1	1600648048	NFYYCIGJBPLSKW-UHFFFAOYSA-N	323.330	1.137	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccsc2CC(=O)O)o1	1600341071	LRSLBDHVLQPXBU-UHFFFAOYSA-N	308.315	1.351	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2cc(F)c(F)cc2F)nc1	1602323733	WJBHDMLMKNKZSB-UHFFFAOYSA-N	311.219	1.954	50	20	DDGD	
Cc1cccc(C(=O)NN=C2CCN(CCC(=O)O)CC2)n1	1600511858	FZRSREVGLZGWJX-UHFFFAOYSA-N	304.350	1.046	50	20	DDGD	
C[C@H](Cc1cnc[nH]1)C(=O)NNc1cccc(C(=O)O)c1F	1604240227	DMPDOZJDISHHKT-MRVPVSSYSA-N	306.297	1.569	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccc(-c3nc[nH]n3)cc2)nc1	1602383576	RNMDRNVGCPZHOI-UHFFFAOYSA-N	324.300	1.322	50	20	DDGD	
COc1ccccc1C(=O)NN=Cc1cc(C(=O)O)c(C)n1C	1610364272	KSPIJZLPGMOJFG-UHFFFAOYSA-N	315.329	1.804	50	20	DDGD	
O=C(NCCC[C@H]1CCCN1)NNc1cccc(C(=O)O)c1	1610689946	JFDZJLMVIXPYEA-GFCCVEGCSA-N	306.366	1.543	50	20	DDGD	
Cc1ccc(NNC(=O)CCN2CCCC2=O)cc1C(=O)O	1610509691	PQQCMVBKILUOGZ-UHFFFAOYSA-N	305.334	1.149	50	20	DDGD	
CO[C@H](C=NNC(=O)[C@H]1CCCO[C@H]1c1nccn1C)C1CC1	1549315305	LCVHUXZPNNUDCZ-BFHYXJOUSA-N	320.393	1.415	50	20	DDGD	
Nc1ccccc1CCC(=O)NNC(=O)OCC(F)(F)F	1580460137	BFBRRGKQVMJWHY-UHFFFAOYSA-N	305.256	1.521	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCNC1)c1cccc2scnc12	1580733288	QZAGVEXPZQIBNZ-SECBINFHSA-N	304.375	1.057	50	20	DDGD	
Cc1nc(C(=O)N2CC3(CCCN3C(=O)[C@H](F)Cl)C2)co1	1843363074	RFFFEKZKOKSCDI-JTQLQIEISA-N	315.732	1.334	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](C)C(=O)O)c(Br)c1	1594106450	USLXJHBNSVAXFF-ZCFIWIBFSA-N	317.139	1.622	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@H](C)CC(=O)O)c(OC)c1	1598984002	FQSNMVJNRXGRCI-VIFPVBQESA-N	324.333	1.426	50	20	DDGD	
CS[C@H]1C[C@H](NC(=O)NNc2cccc(-c3nn[nH]n3)c2)C1	1591702569	LMIXUKCKCCIAKP-XYPYZODXSA-N	319.394	1.387	50	20	DDGD	
O=C(NNC(=O)[C@@H](C(=O)O)C1CC1)c1cccc2cccnc12	1594778864	CAXQGIQYLWISBS-LBPRGKRZSA-N	313.313	1.107	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cccc(C(=O)O)n2)cc1	1597501110	RUHLAMSQOKVMIS-UHFFFAOYSA-N	313.313	1.417	50	20	DDGD	
COc1noc(C)c1C=NNC(=O)c1cccc(C(=O)O)c1	1776096756	QMRGINSNJHNUBE-UHFFFAOYSA-N	303.274	1.454	50	20	DDGD	
O=C(NN=Cc1cnc2[nH]cncc1-2)Nc1ccc(C(=O)O)cc1	1776046056	YXQCIAJHGQMCJY-UHFFFAOYSA-N	324.300	1.763	50	20	DDGD	
C#CCOCCC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	158437444	GYCUPXQUOWKDQT-UHFFFAOYSA-N	318.417	1.780	50	20	DDGD	
COc1cccc(-c2cc(C(=O)NNC(=O)N(C)C)[nH]n2)c1	152140469	BJNAFVRYEQKJOE-UHFFFAOYSA-N	303.322	1.001	50	20	DDGD	
COc1cccc(OC)c1CC(=O)NNC(=O)CC1CCCC1	153563955	JRRFDGGMVVJRGU-UHFFFAOYSA-N	320.389	1.974	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NNc1cc(F)cc(OC)c1	157066830	JFMFXVYJOVKTQZ-UHFFFAOYSA-N	304.343	1.102	50	20	DDGD	
COC(=O)NNC(=O)Nc1cnn(-c2ccccc2F)c1C	157385992	WWWGTTXVFHTWLO-UHFFFAOYSA-N	307.285	1.712	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CCOC2CCOCC2)c1	157488907	LNZHXDCJDWAVNU-UHFFFAOYSA-N	312.341	1.863	50	20	DDGD	
O=C(COc1ccccc1)NCC(=O)NNc1cccc(F)c1	154609281	KILBQJPITUQUKX-UHFFFAOYSA-N	317.320	1.464	50	20	DDGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCCNC1	159850903	QJDGXSOZZRMZHC-SNVBAGLBSA-N	321.768	1.833	50	20	DDGD	
CCOC(=O)CN(CC(C)C)S(=O)(=O)CBr	126699721	KTFCRKHWQCVSIO-UHFFFAOYSA-N	316.217	1.190	50	20	DDGD	
O=C(Cc1n[nH]c2ccccc12)NNC(=O)NCc1ccco1	50612473	GYRSFCOEMLPREA-UHFFFAOYSA-N	313.317	1.229	50	20	DDGD	
CNC(=O)c1ccc(C)c(NC(=O)NNc2cnccn2)c1	179719033	BWYPAXZMTPKCDD-UHFFFAOYSA-N	300.322	1.293	50	20	DDGD	
C[C@@H](Cc1ccc(O)cc1)NC(=O)NNC(=O)c1ccccc1	56761417	LWMUDYQUEQYJRW-LBPRGKRZSA-N	313.357	1.967	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C1CCN(C(C)C)CC1	174734784	GNRFANRADDVISB-UHFFFAOYSA-N	319.405	1.577	50	20	DDGD	
CCC(CC)[C@H](C(=O)NNc1ncccn1)N1CCOCC1	173047569	LGRHMLWMISPDMI-CYBMUJFWSA-N	307.398	1.057	50	20	DDGD	
CN(C)[C@H]1CCC[C@H](NC(=O)NNc2cncc(Cl)n2)C1	176584129	VNLGJLGXTIEPTM-UWVGGRQHSA-N	312.805	1.629	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)COc2ccc(F)cc2)on1	64236836	UUAFYYQWDGFRNC-UHFFFAOYSA-N	322.296	1.032	50	20	DDGD	
O=C(NNc1cnccn1)c1ccc(OC[C@@H]2CCCO2)cc1	114880469	PZECLEAJNUVJGN-AWEZNQCLSA-N	314.345	1.791	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2C[C@@H]2C2CC2)c(OC)c1	177186750	KKHHKIDIPPKDET-OLZOCXBDSA-N	304.346	1.511	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)C(C)(C)C)ccc1[N+](=O)[O-]	172182742	NMQXTZKAJWPCMN-UHFFFAOYSA-N	315.351	1.259	50	20	DDGD	
CCC[C@@H](C)CC(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1	111543653	JMBAANPZCYOESF-MCIONIFRSA-N	313.442	1.459	50	20	DDGD	
CC(C)[C@@H](C)C(=O)NNC(=O)Cc1nc2ccccc2n1C	171956707	PNPSTYZPZNICFG-LLVKDONJSA-N	302.378	1.555	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C(C)(C)c1ccc(F)cc1	110761825	URVTUOURKRIXGI-UHFFFAOYSA-N	304.325	1.596	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc(C)c2ccccc2n1	110758196	SLVSZPZEBOTQPV-UHFFFAOYSA-N	309.329	1.650	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H](C)C(=O)OC)cc1	171081723	JHFZTXQYFQVCRF-ZMTLZGASSA-N	316.357	1.918	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)[C@H]1COCCO1	178473268	BYQPCIDKYOQINI-SNVBAGLBSA-N	301.686	1.107	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)Nc2ccccc2)cc1	60476936	ZWHHYBTVZGPPFB-UHFFFAOYSA-N	310.313	1.790	50	20	DDGD	
O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNc1ccc(F)cc1	121049184	LALFXMDIKAUJBC-BETUJISGSA-N	319.336	1.444	50	20	DDGD	
O=C(NNc1ncccn1)C(=O)Nc1ccc(F)c(Cl)c1	120049229	BVIDHPBQUMLIDD-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCCCN1CCOCC1	188040823	ZXLFSLVCBXDZFU-NTCAYCPXSA-N	315.373	1.138	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1cccnn1)N1C[C@H](C)O[C@H](C)C1	77035655	RFYPVTINNSZQBH-SCRDCRAPSA-N	307.398	1.054	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)Nc2ccc(F)cn2)c1	123313341	WBLQLGWIXBEJCJ-UHFFFAOYSA-N	324.337	1.773	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](C)c1ccccc1F	77163591	QCIVSXAASVXXLA-JTQLQIEISA-N	323.368	1.381	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cnn(C)c2)c(C)c1	184800115	GIZMHFPDGYQCQC-UHFFFAOYSA-N	303.322	1.204	50	20	DDGD	
Cc1ccc(C[C@H](C)C(=O)NNc2ncnc3nc[nH]c23)cc1	181696333	IMHDUDZENAHFEH-NSHDSACASA-N	310.361	1.983	50	20	DDGD	
Cn1cc(/C=C/C(=O)NNC(=O)[C@@H]2CCCO2)c2ccccc21	79552117	HZXIXKWCWNXSCF-HVHJFMEUSA-N	313.357	1.518	50	20	DDGD	
C[C@@H]1CCC[C@@H]1CC(=O)NNc1nccc(N2CCOCC2)n1	184038330	ZHIVOJFYLAHKMV-CHWSQXEVSA-N	319.409	1.583	50	20	DDGD	
C[C@H](NC(=O)CC(C)(C)C)C(=O)NNc1ccc([N+](=O)[O-])cc1	187066218	BYXGYLJEMXHGEA-JTQLQIEISA-N	322.365	1.979	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cc2occc2[nH]1	138244677	AKSJRTWUUJJGOV-UHFFFAOYSA-N	313.313	1.773	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C1(Cc2ccccc2)CCC1	135418556	MTYCVHMTRCKWFD-UHFFFAOYSA-N	312.373	1.892	50	20	DDGD	
Cc1nn(C)c(Cl)c1C(=O)NNC(=O)NCc1ccco1	138953687	JTJCSMKHMLWBOO-UHFFFAOYSA-N	311.729	1.119	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1occc1C	70708063	NDUJWQHTRILLNY-UHFFFAOYSA-N	302.330	1.990	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CC2(O)CCCCC2)n1	89506541	WTWGBPMYPJYGGB-UHFFFAOYSA-N	321.425	1.851	50	20	DDGD	
CCn1c(NNC(=O)C2(C#N)CCC2)nc2ccccc2c1=O	134556411	FNCQZOMMROQVRG-UHFFFAOYSA-N	311.345	1.553	50	20	DDGD	
Cn1c(NNC(=O)C[C@@H]2CCCCO2)nc2ccccc2c1=O	87357477	NDNSBRUSSNGRDJ-NSHDSACASA-N	316.361	1.336	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCCc2sccc21	130077011	PKRUDXFBNNOPAT-SNVBAGLBSA-N	304.375	1.661	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2cccc[n+]2[O-])cc1	44975922	PWJUCRDDTWIIQP-UHFFFAOYSA-N	317.370	1.182	50	20	DDGD	
CC(C)n1nccc1C(=O)NNC(=O)c1cc(Cl)ccc1O	134397213	PRJMPCLIDYLGFZ-UHFFFAOYSA-N	322.752	1.898	50	20	DDGD	
CC(C)(C)O[C@@H](C(=O)NNC(=O)C(C)(C)O)c1ccccc1	192913266	WYJGUDAESRAMJO-GFCCVEGCSA-N	308.378	1.461	50	20	DDGD	
O=C(C#Cc1ccccc1)NNC(=O)[C@H]1COc2ccccc2O1	80471693	FGLOJLVUTDCMIV-MRXNPFEDSA-N	322.320	1.026	50	20	DDGD	
CCCC(O)(CCC)CC(=O)NNc1nc2ccccn2n1	191929860	NPDXXFIGXOGPOK-UHFFFAOYSA-N	305.382	1.894	50	20	DDGD	
C[C@H](Oc1ccccc1Cl)C(=O)NNC(=O)c1ccc[nH]1	97160317	JHUSALCEFQRYCP-VIFPVBQESA-N	307.737	1.897	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCNC(=O)C(C)(C)C)s1	148863025	PKHMGPOJVBSSBI-UHFFFAOYSA-N	311.407	1.370	50	20	DDGD	
Cn1c(=NNC(=O)NC[C@@H]2CCCOC2)sc2ccccc21	254954994	DZWBPWIAKCOBFP-NSHDSACASA-N	320.418	1.781	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)cc1	264151449	QEGVKEMZKDTGGZ-CYBMUJFWSA-N	317.389	1.787	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@H](O)C2CC2)cc1	268422481	QQJGPCBKFZMZBM-IDJPSDCMSA-N	300.358	1.879	50	20	DDGD	
O=C(C=C1CCCCC1)NNC(=O)COc1ccccc1O	264592913	WMHBGEDYTKHETG-UHFFFAOYSA-N	304.346	1.809	50	20	DDGD	
O=C(NCc1nnc2n1CCC2)NNc1ccc(Cl)c(F)c1	266968835	OLVBKDHSPIYRHU-UHFFFAOYSA-N	324.747	1.843	50	20	DDGD	
CC#CCCCC(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C	274571592	XYTRTURWMMYIGN-LLVKDONJSA-N	311.382	1.241	50	20	DDGD	
COc1nccnc1NNC(=O)CNC(=O)CC1CCCCC1	274024846	CFKBXQHCRMRNLO-UHFFFAOYSA-N	321.381	1.015	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1C[C@]12CCOC2	368623543	IZLJYQDUXAFIIG-NKFCBESUSA-N	322.336	1.167	50	20	DDGD	
COC(OC)c1ccc(C(=O)NNc2nc(C)cc(C)n2)o1	274552925	XZELFCRJSVMZFR-UHFFFAOYSA-N	306.322	1.735	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccnc(OCC(F)(F)F)c1	272654076	FSJSDUZSTKDXDA-UHFFFAOYSA-N	320.271	1.329	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)c(C)n1	274248879	UGQYFXNCHKJTLG-UHFFFAOYSA-N	308.338	1.193	50	20	DDGD	
O=C(NNC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C1CC1	277118280	SEOLDJOHEUFDFT-HNNXBMFYSA-N	317.370	1.173	50	20	DDGD	
CC(C)n1nccc1C(=O)NNc1cccc(S(C)(=O)=O)c1	272032282	PKWADZCPSYFOIW-UHFFFAOYSA-N	322.390	1.624	50	20	DDGD	
CCOC(=O)N1CC[C@@H](NC(=O)NN(C)c2ccccc2)C1	274450904	ABOXKAXDEDGHRB-GFCCVEGCSA-N	306.366	1.568	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C2CCC2)cc1NC(C)=O	272807637	IPBPLZZEMSQVDU-UHFFFAOYSA-N	320.349	1.606	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C2(C#N)CCC2)nc1C	272187340	MUQFVMSGOPTJOQ-UHFFFAOYSA-N	303.322	1.099	50	20	DDGD	
O=C(CN1CCC[C@H]1[C@@H]1CCCO1)NNC(=O)c1ccccc1	284680425	HKGSDWCHLGTPEQ-GJZGRUSLSA-N	317.389	1.091	50	20	DDGD	
CCOc1cccc(S(=O)(=O)NNC(=O)OC(C)(C)C)c1	282120613	KMZJDNOSVVYPCS-UHFFFAOYSA-N	316.379	1.803	50	20	DDGD	
CCc1c(C(=O)NNC(=O)CNc2ccc(C)cc2)ccn1C	289420667	QMXGELMYCMLWLV-UHFFFAOYSA-N	314.389	1.769	50	20	DDGD	
C=C[C@](C)(CC)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	282365535	CBEUCRPVSMVYQP-MRXNPFEDSA-N	303.362	1.683	50	20	DDGD	
COCCN(C)NC(=O)[C@H](NC(=O)c1cccs1)C(C)C	288301840	BZCSZZDADDEVMC-GFCCVEGCSA-N	313.423	1.112	50	20	DDGD	
O=C(NC[C@H]1CCCSC1)NNc1nc2ccccn2n1	287918867	IQIPJXKJEONYNH-SNVBAGLBSA-N	306.395	1.499	50	20	DDGD	
CC(C)c1nnc2ccc(NC(=O)NNC(=O)C3CCC3)cn12	282639498	GWQMTPBCMAAKQZ-UHFFFAOYSA-N	316.365	1.806	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)c1cn(C)c(O)nc1=O	281727317	IZPIGWHKIOOULO-UHFFFAOYSA-N	302.334	1.114	50	20	DDGD	
C[C@@H]1CCCN([C@H](C)CNC(=O)NNc2ncncc2F)C1	292810469	WHXBQERDVWTZBA-GHMZBOCLSA-N	310.377	1.362	50	20	DDGD	
O=C(NNC(=O)c1ccon1)Nc1ccc(OC(F)F)cc1	802047123	SEKGGZHKBWEFES-UHFFFAOYSA-N	312.232	1.743	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1C[C@H](C)CC1(C)C	299277066	MSIZIBPHWNXYGR-CYBMUJFWSA-N	317.433	1.805	50	20	DDGD	
CCc1nc(C)c(CNC(=O)NNc2cccc(OC)n2)o1	294081429	CJIXUFIMLLSDEW-UHFFFAOYSA-N	305.338	1.775	50	20	DDGD	
CC(C)(C)Oc1ccc(CNC(=O)NNc2ccncn2)cn1	296518561	CUZSFEHMBXPRFK-UHFFFAOYSA-N	316.365	1.875	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)CC(C)C)c(OC)c1	298951559	LMCCJGAFAHDCGG-UHFFFAOYSA-N	309.366	1.580	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CCOC[C@@H]1CCCO1	805384069	AGZMRZAXQJVYDZ-ZDUSSCGKSA-N	323.349	1.932	50	20	DDGD	
CO[C@@H](CS(=O)(=O)N1CC=C(C#N)CC1)c1ccccc1	295203228	SUZBOOGYFATJAY-HNNXBMFYSA-N	306.387	1.860	50	20	DDGD	
COc1ccccc1C1(C(=O)NNC(=O)c2cccn2C)CC1	299477862	ATYUQLKNYRMPFL-UHFFFAOYSA-N	313.357	1.527	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cccnc1N1CCCC1	295785506	TXXVABLXRVBHLC-ZDUSSCGKSA-N	318.377	1.012	50	20	DDGD	
CC(C)(C)n1nccc1NC(=O)NNC(=O)[C@H]1CCCCO1	296845656	LEAYEYWSGTZSGW-SNVBAGLBSA-N	309.370	1.360	50	20	DDGD	
COc1ccc(-c2ocnc2C(=O)NNC(=O)C(C)C)cc1	809144720	GMSUYSZFMGVCMS-UHFFFAOYSA-N	303.318	1.767	50	20	DDGD	
COCCN(CCO[Si](C)(C)C(C)(C)C)[C@H](C)C(N)=O	808723639	ODWNCYJBUXCOGY-GFCCVEGCSA-N	304.507	1.830	50	20	DDGD	
CCC(=O)c1cccc(NC(=O)NNC(=O)[C@@H]2CCCO2)c1	292840010	ZPGDHOKTTIEHQG-ZDUSSCGKSA-N	305.334	1.611	50	20	DDGD	
O=C(NNc1ncccn1)[C@H]1CCCCN1C(=O)c1ccco1	298945340	FXLOZSSOCJYREU-LLVKDONJSA-N	315.333	1.208	50	20	DDGD	
CC(C)C[C@H](C)OCCC(=O)NNC(=O)N=c1cc[nH]cc1	802025412	FKPUFQRHRTYFPG-LBPRGKRZSA-N	308.382	1.498	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CC(C)C)cc1S(C)(=O)=O	298751572	VEXLGSYHSJLGJL-UHFFFAOYSA-N	312.391	1.206	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1F	294358395	VEERBKWLNNPQRF-SDBXPKJASA-N	323.324	1.113	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Cc1cccc(C#N)c1	807369168	RONWXXOKAJTYCQ-UHFFFAOYSA-N	319.361	1.037	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@H]1CCN1Cc1ccccc1	716220419	HQRWOGGJBGSHLN-CQSZACIVSA-N	316.854	1.809	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2cc3ccccc3o2)on1	814867247	WFLHVFXUDFHXBN-UHFFFAOYSA-N	313.269	1.971	50	20	DDGD	
Cc1nnsc1C=NNC(=O)c1cnn(-c2ccccc2)c1	814223696	ZZWXYTOTTCOUFW-UHFFFAOYSA-N	312.358	1.796	50	20	DDGD	
COc1cccc([S@](=O)CC(=O)NCCSSC)c1	819527625	BUHIQBJMWYDPCR-LJQANCHMSA-N	319.473	1.930	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1cnc2ccc(Cl)cn12	814957503	IWTFACPQLDBAMB-UHFFFAOYSA-N	302.725	1.404	50	20	DDGD	
NC(=O)[C@H]1CC[C@H]1C(=O)NNc1cccc(C(F)(F)F)c1	816916597	LIHOOIUQVKYRNG-VHSXEESVSA-N	301.268	1.660	50	20	DDGD	
C[C@H](Oc1ccc(C=O)cc1)C(=O)NNc1ncncc1F	817071471	UIUVVTBMEZVFRQ-VIFPVBQESA-N	304.281	1.339	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NCCCC1(O)CCC1	817174459	GZPDLNRYZKYYPY-UHFFFAOYSA-N	319.405	1.563	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1ccc(Br)c(F)c1	816632670	UDXUKBOQLAASLE-UHFFFAOYSA-N	300.091	1.463	50	20	DDGD	
Cn1cc(C(=O)NN=C2CCN(CCO)CC2)c2ccccc21	819803060	GPKNFHWWHYUXLM-UHFFFAOYSA-N	314.389	1.352	50	20	DDGD	
CCCCC[C@@H](O)C(=O)NNC(=O)Cn1ccc2ccccc21	823128870	JOYPFXGFZFMONX-OAHLLOKOSA-N	317.389	1.730	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1[C@@H]2CCC[C@@H]12	826445495	WSNGWOBLWIIQNE-HTQZYQBOSA-N	319.756	1.404	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(C=NNC(=O)c2ccc[nH]2)C1	497273700	CQHOANIZRMSMJN-BZNIZROVSA-N	318.377	1.987	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2cncs2)cc1	825553710	AAGCTYKCMXUZSL-UHFFFAOYSA-N	306.347	1.025	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@H]3NC(=O)O[C@@H]3C)nc12	828357741	BJNKLPLGSUQNEI-XCBNKYQSSA-N	306.347	1.545	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2	823833556	DTAXIZXOFQSIFT-SECBINFHSA-N	309.391	1.078	50	20	DDGD	
Cc1c(C(=O)NN(C)[C@H](C)CO)ccc(Br)c1F	823913494	VQJZVGGZAHWNOU-SSDOTTSWSA-N	319.174	1.854	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cn(C)c2ccccc12	822227960	BWIYXNPQOTVETH-DOMZBBRYSA-N	313.357	1.530	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(S(=O)(=O)CC)cc1	494471023	OQRBZWDGMFZEIV-UHFFFAOYSA-N	315.351	1.263	50	20	DDGD	
CC(C)(C)OC(=O)NCC1(C(=O)NNc2cnccn2)CC1	495353806	XQIVSEHABVVTMX-UHFFFAOYSA-N	307.354	1.225	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccc(F)cc1	825930051	QMVMCOTVHBKYIH-GYSYKLTISA-N	323.368	1.685	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNc1nccnc1Cl	496091174	XSCCAYVBATYPSX-UHFFFAOYSA-N	301.734	1.098	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1	826648787	JZQSFNAMSMGIIC-WBMYTEFPSA-N	321.352	1.437	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CC1(CNC(=O)OC(C)(C)C)CC1	823918299	UOWWOPYMLDZBHT-NSHDSACASA-N	315.414	1.025	50	20	DDGD	
C/C(=C(\F)C(=O)NNC(=O)c1ccc2c(c1)OCCO2)C1CC1	827603764	BSINSBCAKPKFGW-NTEUORMPSA-N	320.320	1.872	50	20	DDGD	
CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)NN(C)CCOC	495934102	YTLBAYTXLPAEPZ-OAHLLOKOSA-N	317.430	1.679	50	20	DDGD	
CC(C)[C@@H](NCc1ccccc1B(O)O)c1nc(C2CC2)no1	585032183	CKSYKUYIIUXPDG-CQSZACIVSA-N	315.182	1.114	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H]1CSC(c2ccccc2)=N1	900394305	NVNVZDZAUYDWIQ-NSHDSACASA-N	306.391	1.289	50	20	DDGD	
CCCCC[C@H](O)C(=O)NNC(=O)CCOc1ccccc1	822867621	FPNCBOJAPJSEAH-AWEZNQCLSA-N	308.378	1.544	50	20	DDGD	
CCOCCC1(CNCc2ccc(B(O)O)cc2)CCCC1	585031648	WPNXLDBBPJVNRJ-UHFFFAOYSA-N	305.227	1.443	50	20	DDGD	
CCN(CCO)NC(=O)c1ccccc1NC(=O)C(C)(C)C	823852444	HUHBRWGXRMYKFM-UHFFFAOYSA-N	307.394	1.630	50	20	DDGD	
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)NNC(=O)OC	493202599	TWOUOSRXBREOSC-UHFFFAOYSA-N	324.337	1.180	50	20	DDGD	
O=C1CC(C(=O)NNc2ccnc3cc(Cl)ccc23)=NN1	732263531	QPQIJAHBYBHJPE-UHFFFAOYSA-N	303.709	1.207	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCC[C@H]1CCC1CCCC1	584962814	KWLZAABDDKDCDP-KRWDZBQOSA-N	315.222	1.941	50	20	DDGD	
COC(=O)N(C)NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2	495761056	JGEMDTSNLDNXOQ-UHFFFAOYSA-N	307.350	1.821	50	20	DDGD	
CC[C@@](C)(CNC(=O)NNC(=O)Cc1ccccc1OC)OC	836578068	BYCFFNFEFYMSJT-INIZCTEOSA-N	323.393	1.383	50	20	DDGD	
C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NNC(=O)C1CCC1	732140798	DHBDMGAVUIRQFJ-NSHDSACASA-N	313.357	1.449	50	20	DDGD	
Cc1ccncc1/C=C/C(=O)NN=c1nc(-c2cccnc2)[nH]o1	492427016	OMQNTBXCIPQWDS-SNAWJCMRSA-N	322.328	1.413	50	20	DDGD	
C[C@@H]1C[C@@H](C)N(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	839495653	TZBRRQDTSUTDOU-GHMZBOCLSA-N	320.349	1.086	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(C3OCCO3)cc2)nc1	832645844	MCIPSXYFYAWGPY-UHFFFAOYSA-N	315.329	1.893	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)COc1ccccc1CC	491707281	SAJWJQJHJNDDTG-UHFFFAOYSA-N	310.357	1.608	50	20	DDGD	
O=S(=O)(CBr)N[C@H](C1CC1)[C@@H](CO)C1CC1	832230700	FSADCSFZEXYMCI-VHSXEESVSA-N	312.229	1.055	50	20	DDGD	
Cc1ccc(C[C@@H](C)NCc2ccc(B(O)O)cc2F)s1	585028035	GZZCMKICFMLLDC-SNVBAGLBSA-N	307.199	1.596	50	20	DDGD	
CCNC(=O)C1(CNC(=O)[C@@]2(C)C[C@H]2Br)CCC1	907721802	OSVSVKLESFHGDY-SKDRFNHKSA-N	317.227	1.583	50	20	DDGD	
C[C@H](Oc1ccccc1)C(=O)NNc1ccc(C(=O)O)cn1	833540669	OPFMGJXFSKWVLG-JTQLQIEISA-N	301.302	1.690	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)C(=O)c1ccc(Cl)s1	833242668	MBTNNJAYPKAYHL-SSDOTTSWSA-N	316.766	1.301	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1cncc(F)c1	737427419	LJIWAPDZONWCIK-LLVKDONJSA-N	308.357	1.029	50	20	DDGD	
CC(C)Oc1ccc([C@@H](O)CNS(=O)(=O)CCl)cc1	830644674	YLGIOICADKZTLY-LBPRGKRZSA-N	307.799	1.623	50	20	DDGD	
O=C(CCCOc1ccccc1Cl)N1CC[C@@H](B(O)O)C1	585076557	NMEYYBJVMABQEQ-LLVKDONJSA-N	311.574	1.574	50	20	DDGD	
N#CCOc1ccc(CC(=O)NNC(=O)C2CCCC2)cc1	731971228	LALSGIQQWZHKLA-UHFFFAOYSA-N	301.346	1.469	50	20	DDGD	
O=C(NCCC[C@H]1CCCCO1)NNC(=O)[C@H]1CCCCO1	836397664	DIKSFSQEDIBEBE-CHWSQXEVSA-N	313.398	1.235	50	20	DDGD	
CCc1noc(-c2ccc(C)c(NC(=O)NNC(=O)O)c2)n1	830339545	ZATCPJGVHAAQFR-UHFFFAOYSA-N	305.294	1.912	50	20	DDGD	
CCCCN1CCCC[C@H]1CNC(=O)NNC(=O)C1CCC1	732248482	YMBAWHDKCMVDLH-AWEZNQCLSA-N	310.442	1.772	50	20	DDGD	
COCCCOCCC(=O)NNC(=O)Cc1ccccc1C	830332557	ZNHKLMYOZLXGIT-UHFFFAOYSA-N	308.378	1.128	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H]2CCCCO2)cnc2ccccc12	833246147	DURKGMKEAAANNR-HNNXBMFYSA-N	313.357	1.873	50	20	DDGD	
COCc1ccccc1CNC(=O)NNC(=O)CC(F)(F)F	918067766	JPKLDJSWUADMSG-UHFFFAOYSA-N	319.283	1.616	50	20	DDGD	
CC(=NNC(=O)Cc1ccccc1F)c1cc(C(N)=O)n(C)c1	731319435	BQYQMQSBCLZNNI-UHFFFAOYSA-N	316.336	1.346	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)CNC(=O)c1ccco1)C(C)(C)C	734526618	XNQLXITVLZGNTF-SNVBAGLBSA-N	324.381	1.022	50	20	DDGD	
O=C(O)CCCCCNC(=O)NNC(=O)Cc1ccsc1	739668444	RNCUHHDMEKOUMV-UHFFFAOYSA-N	313.379	1.266	50	20	DDGD	
CCO[C@@H]1COC[C@H]1NC(=O)NNc1c(C)cccc1CC	838719327	MDCHLBSQCHTQLG-ZIAGYGMSSA-N	307.394	1.987	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H]2CCc3n[nH]cc3C2)cc1	838519548	CTLMAZSIWOYKJD-CYBMUJFWSA-N	315.377	1.992	50	20	DDGD	
COCc1cccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	831203061	PYWCPOAEGNQJEZ-GXFFZTMASA-N	307.350	1.411	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CN2CCc3ccccc32)n1	746634900	TVRZMNJZJGJSAM-UHFFFAOYSA-N	313.361	1.299	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NN(C)C[C@H](C)O)cc1	910172294	ARHFAQLHGZZXIV-CJAAZZPWSA-N	303.362	1.336	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)NC2CC2)c1	849203758	JCTGZBPLZTYFPR-LFTLCWSBSA-N	314.341	1.812	50	20	DDGD	
CS[C@H](C(=O)NNc1nnc(C)c(O)n1)c1ccccc1	740085715	OJRUZYFRZUIGKA-JTQLQIEISA-N	305.363	1.433	50	20	DDGD	
CCC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ncccn1	841577841	HFUAWARLKADZQF-NEPJUHHUSA-N	305.382	1.780	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cn(C)c2ccc(F)cc12	843970278	DBIODOWCLTWNTL-GXSJLCMTSA-N	319.336	1.503	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CCCCC2	845917306	LLLUKDZLQKYAAG-UHFFFAOYSA-N	305.334	1.281	50	20	DDGD	
COC(=O)[C@H](NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccccc1F	843289580	VGXYZBYCAMQJHU-GIPNMCIBSA-N	310.325	1.086	50	20	DDGD	
COCCOCc1ccc(C=NNC(=O)[C@H]2CCO[C@H]2C)cc1	842561093	OJBRZLAKEQKRLT-BBRMVZONSA-N	320.389	1.725	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccncc2)on1)c1ccncc1	917525807	OJSDKXQKCDZFID-UHFFFAOYSA-N	309.285	1.206	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H]1CS[C@@H](C)C1	840418992	NHRJTWQOWAXPQX-UWVGGRQHSA-N	309.391	1.533	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2	845920145	BHSDTPNIOZWWKA-GRYCIOLGSA-N	323.393	1.261	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1	912578896	JQDYCPAGKCRFKT-NEPJUHHUSA-N	312.486	1.888	50	20	DDGD	
CN(C)CCn1ccc(C(=O)NNc2ccccc2[N+](=O)[O-])n1	847283757	YMLXYEIGKAXPJO-UHFFFAOYSA-N	318.337	1.110	50	20	DDGD	
Cc1cc(C)n([C@H](C)CC(=O)NNC(=O)c2cccn2C)n1	915695398	OEKASPALDVIYIZ-GFCCVEGCSA-N	303.366	1.251	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCS[C@@H](C(C)C)C1	744423129	YKVQGPJLCHSMSG-QWHCGFSZSA-N	315.483	1.642	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cccc(OCc2cscn2)c1	746003847	VRFVFXKCQBWSGU-UHFFFAOYSA-N	320.374	1.638	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1C[C@H](OCC)C12CCCC2	745919133	AJBXUGLTJKPXMM-RYUDHWBXSA-N	313.398	1.091	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)NCCc1cccs1)n1ccnc1	845297596	BKADXLGMXJNXNM-NSHDSACASA-N	321.406	1.469	50	20	DDGD	
CC(C)NC(=O)NN=Cc1cccn1CC(=O)OC(C)(C)C	841621864	OLLQTASYJIPOSK-UHFFFAOYSA-N	308.382	1.871	50	20	DDGD	
C[C@H](CCCCN)NC(=O)NNC(=O)c1cccc(Cl)c1	841995069	LEUNLJFAYAXRRP-SNVBAGLBSA-N	312.801	1.802	50	20	DDGD	
O=Cc1ccc(OCC(=O)NNC(=O)c2ccccc2F)cc1	916467836	XPMAXUPNJZTEKB-UHFFFAOYSA-N	316.288	1.478	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCC2(OC)CCC2)cc1	845098706	FUOBLRAHBRYXIZ-UHFFFAOYSA-N	321.377	1.597	50	20	DDGD	
CCc1c(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cnn1CC(C)C	843663925	ZNOBSKFKQXZDHM-RYUDHWBXSA-N	322.409	1.288	50	20	DDGD	
CCc1cccc(C=NNC(=O)Cn2nc(C)cc2C)c1O	848403580	YCGLTICAHNCRKU-UHFFFAOYSA-N	300.362	1.918	50	20	DDGD	
COc1ccc(C=NNC(=O)Cc2nc(C)cs2)c(O)c1	914695033	BSQFRFWLTGJHMC-UHFFFAOYSA-N	305.359	1.859	50	20	DDGD	
COC/C(C)=C\C(=O)NNC(=O)COc1cc(C)cc(C)c1	845080783	ZRWIOGHSSJXRJR-JYRVWZFOSA-N	306.362	1.422	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)CN1CCCC1=O	840548578	RNIIBKMORHFISM-UHFFFAOYSA-N	311.773	1.319	50	20	DDGD	
CCNC(=O)NN=C(C)c1ccc(OCC(=O)N(C)C)cc1	920827017	DXOAYRFXQAHWLL-UHFFFAOYSA-N	306.366	1.197	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H]1CCC(=O)N(c2cccc(F)c2)C1	854163436	VDSYPAZORYFHES-JTQLQIEISA-N	323.324	1.346	50	20	DDGD	
COc1cnc(C(=O)NC[C@]2(C)C[C@@H]2Br)nc1	857387867	NWBNGAWMTZBKJX-KWQFWETISA-N	300.156	1.389	50	20	DDGD	
CC(C)C(=O)NNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12	758091864	YVJVCEHONBMDGQ-UHFFFAOYSA-N	304.306	1.422	50	20	DDGD	
COc1ccc(OC)c(NC(=O)C(=O)NCCCSC#N)c1	854360898	GJZGQWPQFBAHFU-UHFFFAOYSA-N	323.374	1.363	50	20	DDGD	
CC(C)n1ccc(CNC(=O)NNC(=O)c2cccc(F)n2)n1	852135177	MUMCDMWQNYAQNY-UHFFFAOYSA-N	320.328	1.142	50	20	DDGD	
CC(C)OCCNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	754297258	VXMZRFHMYNPZPT-UHFFFAOYSA-N	323.437	1.958	50	20	DDGD	
COc1cccc([C@@H](CNC(=O)NNc2ccncn2)OC)c1	858654899	VGXRLGXZVDYXSJ-CYBMUJFWSA-N	317.349	1.499	50	20	DDGD	
C[C@@H]1CN(C(=O)NC[C@]2(C)C[C@H]2Br)C[C@@]1(C)CO	856961336	YDUWPCJRDALJFC-AAXDQBDMSA-N	319.243	1.820	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H](C)C[C@@H]2CCOC2)n1	759765806	CYIZRTIKOPFKQT-ONGXEEELSA-N	309.370	1.235	50	20	DDGD	
CCn1nc(C)c(CNC(=O)NNC(=O)c2ccc(C)o2)c1C	752370023	MRRRFHLVRSBIOI-UHFFFAOYSA-N	319.365	1.565	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2F)CN1C1CC1	753925771	FPNWDNROECKRDE-WDEREUQCSA-N	320.368	1.395	50	20	DDGD	
Cn1ccc2c(NC(=O)NNC(=O)c3cnccn3)cccc21	756316050	JXMHCUSZYBQXBB-UHFFFAOYSA-N	310.317	1.435	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1c(F)ccc2ccncc12	855005586	HZSHQDNNRSAVPB-MWLCHTKSSA-N	317.320	1.560	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C2CCCC2)ccc1[N+](=O)[O-]	751081630	XUNMLYJUMLRFGH-UHFFFAOYSA-N	307.306	1.555	50	20	DDGD	
CCC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1	920380357	IXAREUAAHFOFFA-GFCCVEGCSA-N	309.391	1.287	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccc(F)c(C(N)=O)c2)o1	752867250	KFLUWYSLQUWTIS-UHFFFAOYSA-N	320.280	1.293	50	20	DDGD	
CCCCCC(C)(C)CNC(=O)NNC(=O)[C@H]1CCC(=O)N1	858290179	TYCPDQZSJLCFPI-LLVKDONJSA-N	312.414	1.202	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1ccc(-n2cccn2)cc1	755608265	DPCWYJDJESJFFN-UHFFFAOYSA-N	323.316	1.129	50	20	DDGD	
C[C@H](Sc1ccccn1)C(=O)NNC(=S)N[C@H](C)C1CC1	855098006	CPZDEWRVJVRCTR-ZJUUUORDSA-N	324.475	1.856	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@]3(CCOC3)C2)C[C@@H]1Br	856900087	TVBVOHDHFLDEGZ-UHTWSYAYSA-N	317.227	1.982	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)C2(CC)COC2)o1	755231314	CUNBJFQCSPEEPK-UHFFFAOYSA-N	323.393	1.309	50	20	DDGD	
N#CSCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	854362758	ZPNONXQQMHIUAT-LLVKDONJSA-N	321.377	1.899	50	20	DDGD	
CCN(CC)c1ccc(C(=O)NNC(=O)c2cc[nH]n2)cc1	855363116	YTYDDMCPOUFMTG-UHFFFAOYSA-N	301.350	1.331	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1csc2cncn12)C1CC1	855100788	JBUWRKWHISXJJI-SSDOTTSWSA-N	309.420	1.303	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1nc(Cl)cs1	758118330	XMCFAMVJRQVALE-UHFFFAOYSA-N	312.738	1.270	50	20	DDGD	
O=C(COc1ccc(F)cc1)NN=Cc1cnc2n1CCC2	853274093	GMOBLRJNCWYBDW-UHFFFAOYSA-N	302.309	1.498	50	20	DDGD	
COc1cc(C(=O)NN=Cc2cncn2C)cc(OC)c1OC	755480513	GNFGRTFFOCIERZ-UHFFFAOYSA-N	318.333	1.210	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)Nc1cccnn1	757660338	DSOZQZVAGCNZOI-UHFFFAOYSA-N	315.333	1.271	50	20	DDGD	
CCc1cccnc1C(=O)NNC(=O)COc1cccc(C)c1	766556789	VWZPQLSZTYQXPY-UHFFFAOYSA-N	313.357	1.792	50	20	DDGD	
COC(=O)[C@@](C)(NS(=O)(=O)CC(C)(C)CCl)C1CC1	866814268	OGTQRBJWCIOLKC-LBPRGKRZSA-N	311.831	1.513	50	20	DDGD	
C[C@@H](OC1CCCCCC1)C(=O)NNC(=O)c1ccccn1	760209879	ACVZNUYSUCDFOY-GFCCVEGCSA-N	305.378	1.971	50	20	DDGD	
CC(CCCCO)=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1	766690582	OZHNMGJUMYGCOF-YUELXQCFSA-N	313.442	1.386	50	20	DDGD	
CCCN1C[C@H](CNS(=O)(=O)CC(C)(C)CCl)CC1=O	867420816	XLVYPSHGNDWLPZ-NSHDSACASA-N	324.874	1.429	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(C)C[C@@H](C)NC(=O)OC(C)(C)C	863684537	GLSNBFDRYCUVIJ-JPQYHBGPSA-N	311.382	1.802	50	20	DDGD	
COc1ccc2c(c1)CC[C@@H](NCc1ccccc1B(O)O)C2	863891579	UGMXLKQQPFNIGG-MRXNPFEDSA-N	311.190	1.022	50	20	DDGD	
C[C@H](NNC(=O)CN(C)C(=O)c1cccs1)C(F)(F)F	862307563	MUVKCDRSVVMYMX-ZETCQYMHSA-N	309.313	1.392	50	20	DDGD	
CCCNC(=O)CNC(=O)NNc1nc2c(C)cccc2s1	867978854	XPDMCRZDDKSITG-UHFFFAOYSA-N	321.406	1.757	50	20	DDGD	
CC(=O)NC[C@@H]1CCCN(S(=O)(=O)CC(C)(C)CCl)C1	866643814	LJYFGMDCQSBFSJ-LBPRGKRZSA-N	324.874	1.429	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C[C@@H](C)c2ccccc2F)n[nH]1	869012359	ODELIMNXMUZWEK-SNVBAGLBSA-N	318.352	1.741	50	20	DDGD	
CN(N=Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)C(N)=O	767904217	NFPIDVSDRKRONE-UHFFFAOYSA-N	301.306	1.192	50	20	DDGD	
CCOc1ccc(NNC(=O)c2cc(C(=O)OC)nn2C)cc1	868566899	MKLHDVKCDZNVDD-UHFFFAOYSA-N	318.333	1.362	50	20	DDGD	
N#Cc1c(F)ccc(C=NNC(=O)c2cnccn2)c1Cl	761782384	TYXWUGBGCZKUAQ-UHFFFAOYSA-N	303.684	1.905	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)[C@H]1C[C@]12CCOC2	764110543	QLHWTVRWMPROIY-YGRLFVJLSA-N	301.306	1.001	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)C[C@]1(C)CC1(Cl)Cl	867255597	MRVMAQPSGNHEQA-ZETCQYMHSA-N	305.183	1.103	50	20	DDGD	
O=C(NNC(=O)c1ccc(SC(F)(F)F)o1)NC1CC1	865014859	PJMGUDAMUWOWSH-UHFFFAOYSA-N	309.269	1.998	50	20	DDGD	
CSCCNC(=S)NNC(=O)CC[C@@H]1CCCCO1	769767913	AUKUDBMSWHTMKZ-JTQLQIEISA-N	305.469	1.194	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H](C)N1CCc2ccccc21	875100828	HDSXZSJFLXCRBZ-NSHDSACASA-N	306.366	1.350	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)O)CCC1=NNC(=O)c1n[nH]c2c1CCCC2	1117704588	YEBHNEBDZOITPG-ZJUUUORDSA-N	318.377	1.895	50	20	DDGD	
O=C(CCSc1ccc(F)cc1)NNC(=O)[C@H]1C[C@@H](O)C1	873804794	NVQALEAQCXHZAG-JGZJWPJOSA-N	312.366	1.226	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1c(O)cccc1O	770402228	WSNQPYHJDKHMGH-UHFFFAOYSA-N	316.313	1.110	50	20	DDGD	
COc1cc(C(C)=NNC(=O)CO)ccc1SC(F)F	776779657	IENLVTCGXZUTQB-UHFFFAOYSA-N	304.318	1.842	50	20	DDGD	
C[C@@H](CC(=O)O)CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	872831136	GDTCLOKLOSDFAF-LKBWSCCASA-N	322.405	1.851	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cnc(C(F)(F)F)cc1OC	879365452	MQNOFZMLFWCINW-UHFFFAOYSA-N	322.243	1.844	50	20	DDGD	
CC[C@H](C#N)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874954049	PZDRWCQRURFUIW-SNVBAGLBSA-N	305.407	1.620	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNc1nccnc1C(C)C	772823201	MRZGBLXZUCCPHT-LBPRGKRZSA-N	319.409	1.834	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cc([N+](=O)[O-])ccc1O	874110122	KAZODZSAUMZCCU-UHFFFAOYSA-N	321.318	1.411	50	20	DDGD	
CCS(=O)(=O)c1ccccc1C(=O)NCCCSC#N	773573001	ZCNISHHZUTWDJH-UHFFFAOYSA-N	312.416	1.814	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCCc2ccc(Cl)cc21	779822595	FWGOMCFRLAZGFG-UHFFFAOYSA-N	309.753	1.853	50	20	DDGD	
Cc1ccc(NCCNC(=O)/C(C#N)=C\c2cnn(C)c2)nc1	1119904625	GBLXMORVPNPMSF-AUWJEWJLSA-N	310.361	1.259	50	20	DDGD	
CSCc1noc(CCC(=O)NNc2ccc(F)cn2)n1	874649480	OWOGWLFBSUZHRH-UHFFFAOYSA-N	311.342	1.543	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C(F)(F)c1ccccc1	772010952	ZFZFSAYIKSTBHH-SECBINFHSA-N	314.288	1.268	50	20	DDGD	
C[C@H]1CCc2nc(C=NNC(=O)c3cnccn3)sc2C1	1117741535	AVILUYZDIOOWCV-VIFPVBQESA-N	301.375	1.822	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H](C)c2cnccc2C)n1	771443275	WBOGDOLYDNFIFG-NSHDSACASA-N	316.365	1.884	50	20	DDGD	
N#Cc1ccc(NNC(=O)NCCCCCN2CCCC2)nc1	889101485	MRINCZHTCVKIOU-UHFFFAOYSA-N	316.409	1.845	50	20	DDGD	
CCO[C@H]1CCN(C(=O)NNC(=O)c2cccc(C#N)c2)C1	1121942007	PRMSODHTLCUQIZ-ZDUSSCGKSA-N	302.334	1.023	50	20	DDGD	
CCCc1nc(C)c(NC(=O)NNC(=O)Cc2cc[nH]n2)s1	777020121	RXAVMZOXVGFKAE-UHFFFAOYSA-N	322.394	1.523	50	20	DDGD	
CS[C@H](C)CCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	774076576	JSTRJNNQCDIABI-GHMZBOCLSA-N	308.469	1.010	50	20	DDGD	
CCc1ccccc1C(=O)NNC(=O)COc1ccccc1O	770287113	PBLRXTNUJVHPTA-UHFFFAOYSA-N	314.341	1.795	50	20	DDGD	
O=C(NNc1ncncc1Cl)NC1CCN(CC2CC2)CC1	780962872	AMZRBRDLMSXYPG-UHFFFAOYSA-N	324.816	1.631	50	20	DDGD	
O=[S@@](CCNS(=O)(=O)CCCCl)Cc1ccccc1	881873956	RQBWGEZXSHJQTD-SFHVURJKSA-N	323.867	1.484	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(F)cc1Cl)N1CCN(C)CC1	885135820	NRJWTZKOTUCGNT-JTQLQIEISA-N	314.792	1.558	50	20	DDGD	
CC(=NNC(=O)c1nn(C)c(=O)c2ccccc12)[C@H]1CCCO1	783808442	YSORHNYHBMFGRB-CYBMUJFWSA-N	314.345	1.218	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1c[nH]nc1C1CC1	789826538	BBFBMMTVFABFFJ-UHFFFAOYSA-N	312.255	1.853	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2COc3ccccc3O2)nc1	781515934	KPKUMTJFQXJPBC-ZDUSSCGKSA-N	301.302	1.373	50	20	DDGD	
CCc1csc(NC(=O)C(=O)NNc2ccccc2F)n1	789748040	SFYYWZWCPLLQKJ-UHFFFAOYSA-N	308.338	1.926	50	20	DDGD	
COc1cc(NNC(=O)C(=O)Nc2ccon2)ccc1Cl	789796897	NPQFLBJYFFJQNH-UHFFFAOYSA-N	310.697	1.418	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=Cc2cn(C)cn2)cc1	794479740	ACFKWBUAYSVWQO-LBPRGKRZSA-N	316.361	1.736	50	20	DDGD	
Cc1cccnc1NNC(=O)NCc1cn(-c2ccccc2)nn1	791027559	XKFVNLWXBQKLCZ-UHFFFAOYSA-N	323.360	1.797	50	20	DDGD	
CC[C@@H](C)CC(=O)OCC(=O)NNC(=O)c1cccc(C)c1	791499378	SAZKJXIICKXEFI-LLVKDONJSA-N	306.362	1.735	50	20	DDGD	
COc1ncccc1C(=O)NNC(=O)Nc1ccccc1C	798310524	PUIMQUOODJTZNQ-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
O=S(=O)(NCCc1ncn[nH]1)c1ccc(CCCl)cc1	80649933	WVUIUNFNBDRTRH-UHFFFAOYSA-N	314.798	1.107	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNc1ccc(C(F)(F)F)nn1	793730864	YKDIHGHWKPFXBI-OIBJUYFYSA-N	306.288	2.000	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1c(C)c(O)c(C)c(C)c1O	799880194	GSTZWHSVURYLHL-UHFFFAOYSA-N	302.334	1.818	50	20	DDGD	
CC(=NNC(=O)c1ccc(O)c(O)c1)c1ccc(O)cc1O	794557343	YOHKNHTUKKGNOS-UHFFFAOYSA-N	302.286	1.663	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2c[nH]nc2-c2ccoc2)n1	794086025	CUEOUZJVWUZMLJ-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)NCC(F)(F)F)N1[C@H](C)CC[C@H]1C	798315109	OCJGGRNGBUOFLP-HLTSFMKQSA-N	310.320	1.140	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@@H]1Cc2ccc(F)cc21	798125895	ZYCGAXISFBDCIX-CYBMUJFWSA-N	307.394	1.761	50	20	DDGD	
CCc1cc(CNC(=O)NNc2nc3ccccn3n2)on1	790383981	MVRBOCGVEJYDLP-UHFFFAOYSA-N	301.310	1.106	50	20	DDGD	
C[C@@H]1CC[C@H](CNC(=O)NNC(=O)COc2ccc(F)cc2)C1	793459148	NJWDQANTSBQIBE-NEPJUHHUSA-N	323.368	1.971	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccc(O)nn1	790149864	FWKXXGZPYKAROR-SNVBAGLBSA-N	318.308	1.629	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCCCN2CCCC2)n1	794078374	ZEVPNJLBTNEEPU-UHFFFAOYSA-N	304.394	1.417	50	20	DDGD	
O=C(NNC(=O)c1sccc1Cl)C(=O)Nc1ccccn1	797162247	SHCCJIZANYPBES-UHFFFAOYSA-N	324.749	1.196	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1cc(C)c(C)o1	799878055	OGFVFMORBJHGTO-UHFFFAOYSA-N	303.318	1.760	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc(C3CC3)n(C)n2)cc1	1318878129	BNUVCSBNXIPWMQ-UHFFFAOYSA-N	314.345	1.381	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1c[nH]c(Br)c1	1318844194	ZSEXPRMLFMKMGD-UHFFFAOYSA-N	311.139	1.191	50	20	DDGD	
CC[C@@H]1CCCN1C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1328960485	ANOKAEWQZNXRLH-GBIKHYSHSA-N	317.227	1.677	50	20	DDGD	
CC(C)(Oc1ccccc1)C(=O)NNC(=O)[C@H]1CCCCO1	1324514486	HHLLYNKGORWSEF-CYBMUJFWSA-N	306.362	1.561	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1ccc(OCC2CC2)nc1	1325863324	ALFKITKPLMEDOX-UHFFFAOYSA-N	300.318	1.273	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1cnn2cccnc12	1321961127	FEYLRHDCQBMANQ-UHFFFAOYSA-N	320.312	1.328	50	20	DDGD	
O=C(NNc1ncccn1)C(=O)Nc1cccc2cnccc12	1320384851	CQPGHQMFLZNWAT-UHFFFAOYSA-N	308.301	1.107	50	20	DDGD	
Cc1nnc(CN(C)C(=O)/C(C#N)=C\c2cnn(C)c2)s1	1328444025	IBGWDYFGRIYLLJ-WCIBSUBMSA-N	302.363	1.146	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)N[C@H]2CCN(C3CC3)C2)nn1	1339258067	GNBQUUGEODFXRZ-NSHDSACASA-N	318.425	1.637	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)NCCC2CCC2)C[C@@H]1Br	1330962294	USIPBXFBPANLOW-GXFFZTMASA-N	317.227	1.583	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N2CC[C@@H]3C[C@@H]3C2)C[C@@H]1Br	1331373479	GSRUWSMLOHLAJH-ORXSELOVSA-N	315.211	1.145	50	20	DDGD	
CCOC(=O)c1ncc(C(=O)NNc2nc(C)cc(C)n2)s1	1256767795	IFCVIXPLKVJWNK-UHFFFAOYSA-N	321.362	1.484	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc(C#N)cc1F)C1CC1	1336549784	HDVJTDQNFTYPBD-QMMMGPOBSA-N	306.366	1.605	50	20	DDGD	
COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)C1CCC(Cl)CC1	1263774037	LXXXMOVMWGXYNN-TUUUFIMRSA-N	317.813	1.963	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)NC/C=C\C2CC2)cc1	1344554062	QWMGHCYCZHDKDV-IHWYPQMZSA-N	319.361	1.371	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1ccoc1C1(O)CCOCC1	1341867024	XAGVGIOJTPEDDW-UHFFFAOYSA-N	321.308	1.569	50	20	DDGD	
COC(=O)C(=O)NN=C1[C@H]2CCC[C@@H]1Cc1ccccc1C2	1342838448	BOZNHYBPGWBFSZ-OKILXGFUSA-N	300.358	1.847	50	20	DDGD	
COC(=O)C[C@@H]1COCCN1C(=O)C1CCC(Cl)CC1	1528419108	YVUQOMHWEBTDHG-HTAVTVPLSA-N	303.786	1.575	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1[nH]c(C)nc1C	1607142169	XNPLCLYKWUQSSU-UHFFFAOYSA-N	304.306	1.490	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cnn(-c3ccccc3)n2)nc1	1602384275	IQWFTFICQLTLNO-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
O=C(O)[C@@H]1CCN(S(=O)(=O)CCCCl)[C@H]2CCC[C@@H]21	1601829677	VNGPHBGFAJXESU-MXWKQRLJSA-N	309.815	1.520	50	20	DDGD	
CCCc1nc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)co1	1609217843	RCWWTLGMIQVUSS-UHFFFAOYSA-N	313.321	1.564	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2c[nH]nc2C)ccc1C(=O)O	1605202205	OFTOVLQERDUJAX-UHFFFAOYSA-N	317.305	1.191	50	20	DDGD	
N#C/C(=C\c1ccc(-c2ccccc2C(=O)O)o1)S(N)(=O)=O	1608169271	AJMFDZASBBUSSJ-JXMROGBWSA-N	318.310	1.798	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccccc1-c1nn[nH]n1	1604234227	MOEJIVJUZMYSNX-FLIBITNWSA-N	303.347	1.556	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1F	1602385099	RABMRNAEUAOMRV-WHGOUJPWSA-N	306.293	1.582	50	20	DDGD	
COc1cncc(NC(=O)NNc2cccc(C(=O)O)c2)c1	1607356364	SEJBOEBAVVTNQM-UHFFFAOYSA-N	302.290	1.937	50	20	DDGD	
CC1(C)OC[C@@H](CNC(=O)NNc2ccc(CC(=O)O)cc2)O1	1604560344	RNBJTKGNYOOFCU-GFCCVEGCSA-N	323.349	1.091	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CC(C)(C)CC(=O)O	1607336118	FIOJTFKFZPKBQK-UHFFFAOYSA-N	308.334	1.347	50	20	DDGD	
COc1cc(C(=O)O)cc(NC(=O)NN(C)C2CC2)c1OC	1610283391	QYTYWAPDVYDCOX-UHFFFAOYSA-N	309.322	1.533	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1ccc(C(=O)O)cc1F	1610651326	KPAGRZGGHKSMGI-UHFFFAOYSA-N	308.309	1.865	50	20	DDGD	
O=C(O)CN(Cc1ccc(F)c(F)c1)S(=O)(=O)CCl	1610781151	ZOQGZECTKXHRNX-UHFFFAOYSA-N	313.709	1.378	50	20	DDGD	
CC(C)c1ncc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)s1	1549320090	YBNVLHGVCMLSKZ-AAEUAGOBSA-N	322.434	1.580	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1cc(C)oc1C	1549316431	RXVMPBLODKQXNL-DZGCQCFKSA-N	305.378	1.600	50	20	DDGD	
NCC[C@H](NC(=O)NNc1cccc(C(=O)O)c1)C(F)(F)F	1610644306	PAFRUMHOYMSBOZ-VIFPVBQESA-N	320.271	1.291	50	20	DDGD	
O=C(NN=Cc1cncc2ccccc12)[C@H]1CN2CCC[C@@H]2CO1	1549318991	RRJYUPQYNSILBX-NVXWUHKLSA-N	324.384	1.548	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@@H]1C=NNC(=O)[C@@H]1CCO[C@H]1C	1552762419	FUUMZWZICQXOQP-REWJHTLYSA-N	320.393	1.508	50	20	DDGD	
CC(C)(C)[C@@H](N)C(=O)NNC(=O)c1cccc(OC(F)F)c1	1573457711	IZIKVBOSPFKJDB-JTQLQIEISA-N	315.320	1.422	50	20	DDGD	
Cn1c(C(=O)NNc2ccc(C#N)cn2)ccc1[C@H]1CCCCN1	1579944957	XKNCBXNZACEWLN-CYBMUJFWSA-N	324.388	1.863	50	20	DDGD	
CCC(=O)NNc1cc(-c2nn[nH]n2)ccc1Br	1576477186	GYISINVVAMZIOI-UHFFFAOYSA-N	311.143	1.482	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1CNCC[C@@H]1c1ccc(F)cc1	1578100138	OWSGFFDRWHQKNF-SXRGSSEVSA-N	317.364	1.831	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H]2CC[C@@H](C3CC3)N2)cc1	1579724061	OZQZMSJXJWVPRI-LSDHHAIUSA-N	316.405	1.085	50	20	DDGD	
COC[C@@]1(C(=O)NNc2ccc(C(C)(C)C)cc2)CNCCO1	1578976932	OMEKXSWOHHQXKM-QGZVFWFLSA-N	321.421	1.432	50	20	DDGD	
Cc1[nH]c(C=O)cc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1580470395	GRQFRMWLUJYQMS-UHFFFAOYSA-N	311.305	1.073	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1coc(/C=C\C(=O)O)c1)C1CC1	1589121804	WYGAFCKZPXNEEQ-PULIVWKDSA-N	323.374	1.285	50	20	DDGD	
CC(C)(C)[C@@H](O)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843361370	CNQZZWZWTAJAQD-UWVGGRQHSA-N	320.792	1.131	50	20	DDGD	
NCCCC(=O)NNC(=O)CCCCc1ccc(Cl)cc1	1580288953	GPHFQTKSPUVTOW-UHFFFAOYSA-N	311.813	1.939	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)CC(C)(C)C)ccc1C(=O)O	1599440144	PPWUUXWMTKBERM-UHFFFAOYSA-N	323.349	1.982	50	20	DDGD	
COCCN(CC(C)C)NC(=O)/C=C\c1cc(C(=O)O)co1	1599235339	URNHDESCSAECIB-PLNGDYQASA-N	310.350	1.627	50	20	DDGD	
O=C(/C=C\c1ccc(C(=O)O)o1)NNC(=O)NC1CCCCC1	1594672978	SWIMKAIPOGASOK-CLFYSBASSA-N	321.333	1.654	50	20	DDGD	
C[C@@H]1CC[C@@H](CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)C1	1590228026	FPZUSTABTCTECC-GHMZBOCLSA-N	315.381	1.929	50	20	DDGD	
O=C(CC(F)(F)C(F)(F)F)NNc1ncccc1C(=O)O	1594676127	XJAXWSKPRZTLKL-UHFFFAOYSA-N	313.182	1.811	50	20	DDGD	
C/C=C(/CC)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1590350269	PQPCDTVBRXILBD-YVMONPNESA-N	305.342	1.778	50	20	DDGD	
Cn1nc(C(=O)O)cc1/C=C(\C#N)C(=O)NCCc1ccccc1	1594569414	SJTUFIXGSMHCNT-UKTHLTGXSA-N	324.340	1.384	50	20	DDGD	
COc1cccc(C(=O)/C(C#N)=C/c2cc(C(=O)O)nn2C)c1	1594121153	XAOICUWFCSCMEU-IZZDOVSWSA-N	311.297	1.917	50	20	DDGD	
CN(C)c1ccc(C(=O)O)cc1C=NNC(=O)c1ncccn1	1776081246	GFIDQUBSNZXLPH-UHFFFAOYSA-N	313.317	1.005	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1c[nH]c2ccc(C(=O)O)cc12	1776115523	BFZJZQFDEOMYDN-WDZFZDKYSA-N	314.297	1.963	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C\c1cnc2ccc(C(=O)O)cn12	1776825492	LHFIJJPAYXOKCO-SDQBBNPISA-N	319.342	1.722	50	20	DDGD	
N#C/C(=C/c1cnc2ccc(C(=O)O)cn12)C(=O)N1CCCC1	1776122864	OQMFCXMSUNRZJY-GHXNOFRVSA-N	310.313	1.562	50	20	DDGD	
O=C(O)c1c(F)cccc1C=NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	1776091093	TUARGZSFASCZBQ-JFGNBEQYSA-N	306.293	1.542	50	20	DDGD	
O=C(O)COc1ccccc1C=NNC(=O)c1nccs1	1776109471	LAMAVCDVBLNEBL-UHFFFAOYSA-N	305.315	1.370	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@@H]1CCO[C@@H](C2CC2)C1	160534655	HVLHUKDOBHELRN-NXEZZACHSA-N	311.773	1.714	50	20	DDGD	
COC[C@H](O)CNS(=O)(=O)c1ccc(CCCCl)cc1	160896216	JDRRPNMNAMIIMG-GFCCVEGCSA-N	321.826	1.144	50	20	DDGD	
CN1CCC[C@@H](CNC(=O)NNc2ncnc3ccsc23)C1	151718543	KZIVNAZILSRROB-JTQLQIEISA-N	320.422	1.659	50	20	DDGD	
O=C(CCNS(=O)(=O)CCCCCl)NC1CCCCC1	153596102	LKRPRKIDSWZQKH-UHFFFAOYSA-N	324.874	1.764	50	20	DDGD	
C[C@@]12CCC(=O)N1[C@@H](C(=O)NNc1ccc(C#N)cc1)CS2	155552206	SQQDCKHYWBKHGX-IUODEOHRSA-N	316.386	1.455	50	20	DDGD	
CC(C)(C)NC(=O)NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1	157271377	PXQIGJNTGVSHRY-UHFFFAOYSA-N	321.385	1.299	50	20	DDGD	
CSCC[C@H](N)C(=O)NNc1nc(-c2ccccc2)no1	157996263	MYNPKEQNOGPEOQ-JTQLQIEISA-N	307.379	1.260	50	20	DDGD	
CN(CC(=O)NCC(F)(F)F)NC(=O)OCc1ccccc1	859389620	KPIYRKSXOQHMEI-UHFFFAOYSA-N	319.283	1.438	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccnc(-n2ccnc2)c1	103197190	CDOKALBGOQTJCT-UHFFFAOYSA-N	301.350	1.465	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc(Cn2cncn2)cc1	10889788	HASSKLKDJZMVHV-UHFFFAOYSA-N	317.349	1.496	50	20	DDGD	
CN(C)N(C(=O)c1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1	58584366	OWDAVIWMMPUQJY-JTQLQIEISA-N	318.345	1.071	50	20	DDGD	
CCOCCCC(=O)NNC(=O)c1cccc(OC(F)F)c1	103041366	XRWCDQRZRBCOPV-UHFFFAOYSA-N	316.304	1.866	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cccc(F)c2)c1O	54163616	SZOHRORKCKEFSV-UHFFFAOYSA-N	304.277	1.615	50	20	DDGD	
CSC(C)(C)CNC(=O)NNC(=O)Cc1ccc(F)cc1	174360029	UUZMSFNCQAWZRC-UHFFFAOYSA-N	313.398	1.840	50	20	DDGD	
O=C(NNc1nccnc1Cl)[C@H]1CC(=O)N(C2CCCC2)C1	114894669	DJGTZRPWCVHERE-VIFPVBQESA-N	323.784	1.364	50	20	DDGD	
Cn1cccc1C(=O)NNS(=O)(=O)c1cccc(Cl)c1	21632808	ISNKNFDPAVCBDA-UHFFFAOYSA-N	313.766	1.302	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)CCCNC(=O)c1ccccc1	103200232	MGOGMOMISQVSNM-UHFFFAOYSA-N	319.405	1.780	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(-n2cccn2)nc1	64425614	PGUDUNHKHZCTPU-UHFFFAOYSA-N	302.338	1.011	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NNC(=O)c1cccn1C	173692736	KPQKDFNRPNYXSS-UHFFFAOYSA-N	323.784	1.152	50	20	DDGD	
O=C(NNC(=O)c1ncoc1-c1ccccc1)c1cccnc1	112040057	XNTLRHNSGHCKSC-UHFFFAOYSA-N	308.297	1.811	50	20	DDGD	
C[C@H](Oc1cccnc1)C(=O)NNc1ccccc1[N+](=O)[O-]	117742239	ISHSHJOQPWDCLY-JTQLQIEISA-N	302.290	1.900	50	20	DDGD	
CC(C)CS(=O)(=O)CCC(=O)NNc1ccc(F)cc1F	113431841	KVZCSYLEBRCFAA-UHFFFAOYSA-N	320.361	1.869	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1cnc2ccccc2n1	302819494	YBKBCDDZBDHKIU-UHFFFAOYSA-N	308.297	1.410	50	20	DDGD	
O=C(CCc1nc2cccnc2[nH]1)NNC(=O)CC1CCCC1	111591635	DATAEGOEUBVTOR-UHFFFAOYSA-N	315.377	1.618	50	20	DDGD	
CC(=O)N1Cc2ccc(NC(=O)NNC(=O)C3CCC3)cc2C1	1342148740	YUTAIAXXUCWVAW-UHFFFAOYSA-N	316.361	1.502	50	20	DDGD	
CCc1ccc(-c2ccc(C(=O)NNC(=O)CN(C)C)o2)cc1	175944756	VQEXIOBMDMYPGR-UHFFFAOYSA-N	315.373	1.832	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)[C@H](O)c1ccccc1	123844030	BKACKURKBGSBPG-LLVKDONJSA-N	312.251	1.672	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ccnc(F)c1)N1C[C@H](C)O[C@@H](C)C1	182503052	BKDTYYXQDCYWTA-HUBLWGQQSA-N	324.400	1.798	50	20	DDGD	
CCC(=O)N1CC[C@H](NC(=O)NNc2c(C)cccc2F)C1	185560622	IJRIHQCBALDXSN-NSHDSACASA-N	308.357	1.771	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)C1CCOCC1	188234518	ATFIPCUSPWGLPR-UHFFFAOYSA-N	305.363	1.470	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1c(C)ccn1C	189592916	XWLNYAAVGAGTOB-UHFFFAOYSA-N	316.361	1.215	50	20	DDGD	
CC(C)C[C@@H](C)OCCC(=O)NNC(=O)NCc1ccco1	127711307	CAOCLSFXTJZURY-GFCCVEGCSA-N	311.382	1.951	50	20	DDGD	
CCCCn1cc(C(=O)NNc2cc(Cl)nc(N)n2)c(C)n1	184489661	YBEFKLNKZCANDS-UHFFFAOYSA-N	323.788	1.774	50	20	DDGD	
Cn1c(C(=O)NNC(=O)[C@@H]2CCCO2)cc(Cl)c1Cl	32261521	BKMCXDLWDMUXEK-QMMMGPOBSA-N	306.149	1.272	50	20	DDGD	
COCCCCC(=O)NNC(=O)CNc1ccc(C)cc1C	76960424	QEHRDUFWVLKCNH-UHFFFAOYSA-N	307.394	1.679	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1cc(F)c(O)c(F)c1	186704031	XTLXKRLNGRCTII-UHFFFAOYSA-N	311.244	1.408	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cccc(-c2nc(C)co2)c1	186584439	PCLJBDNNEHAZPZ-UHFFFAOYSA-N	318.333	1.839	50	20	DDGD	
COCC(=O)N1CCN(/C(=C/C#N)c2ccc(F)cc2)CC1	78686797	SBEBFAROVUKKNU-GIDUJCDVSA-N	303.337	1.481	50	20	DDGD	
CCOc1cc(-c2ccccc2)sc1C(=O)NNC(=O)CO	180947474	LOMQTGBPSBDIDC-UHFFFAOYSA-N	320.370	1.567	50	20	DDGD	
CC[C@H](C)[C@@H](C)NCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	183060397	HGSXMYUCXBTZHO-WDEREUQCSA-N	322.365	1.380	50	20	DDGD	
Cc1nn(C)c(C)c1CC(=O)NNc1ccc([N+](=O)[O-])cc1	133792494	PYRYVBPFCKPMMN-UHFFFAOYSA-N	303.322	1.631	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@H]1CCO[C@@H](C2CC2)C1	131042398	HWSYVOIRHWAFHZ-VHSXEESVSA-N	311.773	1.714	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)NNC(=O)Cc2ccncc2)[C@H](C)C1	83227158	VYSDWPNDXHZUHX-BZPMIXESSA-N	304.394	1.779	50	20	DDGD	
CC(=O)NNC(=O)c1c(C)nn(Cc2ccccc2)c1Cl	192863863	JKKFWXNCVMQBPR-UHFFFAOYSA-N	306.753	1.674	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Cc1cccc(OCC#N)c1	89768689	MAVRDZTZBCYHNS-UHFFFAOYSA-N	303.362	1.715	50	20	DDGD	
O=C1CCCC[C@H](C(=O)NNC(=O)c2cccc(Cl)c2)N1	193678731	XJPRQSKDKVGDHK-LLVKDONJSA-N	309.753	1.160	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cn1	193781728	GBXUAKVQQGQCNV-UHFFFAOYSA-N	319.252	1.211	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCCn2ccnc2C)s1	147897928	FKOSXVWSUDBIRN-UHFFFAOYSA-N	321.406	1.596	50	20	DDGD	
COC[C@H](NC(=O)NNc1ncccn1)c1ccc(F)c(F)c1	91258069	AZTJYIKHVWYUKP-LBPRGKRZSA-N	323.303	1.769	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)N[C@H]1CCSC1	266790642	MAEDXKYGROXNIG-JTQLQIEISA-N	313.354	1.040	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)c1ccccc1	265386469	KLLLITCDMIFRJB-CYBMUJFWSA-N	301.350	1.515	50	20	DDGD	
CC1(CNC(=O)NNC(=O)Cc2ccc(F)cc2)CCOCC1	267803014	BFHSYCNKOTXRRS-UHFFFAOYSA-N	323.368	1.515	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccccc1	265267281	UFQPKYNAZSHRPY-MCIONIFRSA-N	317.389	1.615	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NC[C@@H]1CCOC1)c1ccccc1	264656793	JFUIMAQKHLXTHB-LBPRGKRZSA-N	305.378	1.331	50	20	DDGD	
COC(=O)COc1c(C)cc(C(=O)NNC(=O)C2CC2)cc1C	267679907	DSHMNOZYUDHOKZ-UHFFFAOYSA-N	320.345	1.026	50	20	DDGD	
COc1ccc(NC(=O)NNC(C)=O)cc1OCC(F)(F)F	274100014	BKDIGTXTIWDMFO-UHFFFAOYSA-N	321.255	1.809	50	20	DDGD	
CC[C@H]1C[C@H](CC(=O)NNc2nc(C)cc(OC)n2)CCO1	272769329	HCGBDOMQVCLZHK-NEPJUHHUSA-N	308.382	1.832	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(C(=O)N(C)OC)cc1	273589351	OUAWKMDHFWORQQ-SNVBAGLBSA-N	322.365	1.519	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)COc2ccccc2O)no1	270702064	ZYLKSFQOIZHANK-UHFFFAOYSA-N	319.317	1.344	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@@H]2C[C@H]2C2CCCCC2)cn1	279768670	SMDCSOZWNADECM-QWHCGFSZSA-N	305.382	1.333	50	20	DDGD	
CN(C)c1cc(C(=O)NNc2nnc(C3CC3)s2)ccn1	273622429	NIPQFIVRNMKHIQ-UHFFFAOYSA-N	304.379	1.633	50	20	DDGD	
COCCc1ccccc1NC(=O)C(=O)NNC(=O)CC(C)C	276488238	UMLSTBHAYDGTEV-UHFFFAOYSA-N	321.377	1.008	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	278531229	DUCDJMQLMGIWRT-BONVTDFDSA-N	310.325	1.068	50	20	DDGD	
CCOCc1cccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)c1	271706520	MTEVGGDMEPIBCC-UHFFFAOYSA-N	321.377	1.355	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc2c(c1)N(C(N)=O)CC2	278838940	DBTFMINFBFXUPF-PKNBQFBNSA-N	300.318	1.510	50	20	DDGD	
O=C1CCC[C@@H](C(=O)NNc2cc(C(F)(F)F)ccc2F)N1	270453210	FMIUPSUIAOOXDA-VIFPVBQESA-N	319.258	1.956	50	20	DDGD	
CS(=O)(=O)C1(CNC(=O)NNc2ccccc2Cl)CC1	279711580	SQPWCWLMDSKRFG-UHFFFAOYSA-N	317.798	1.543	50	20	DDGD	
Cc1cc(NC(=O)NNc2ccc(Cl)nn2)nn1CCC#N	272166565	ZORXQJRMRUSEKB-UHFFFAOYSA-N	320.744	1.697	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cnn(CC(C)C)c1	285319184	RJOCQZYYJUNFNV-UHFFFAOYSA-N	316.452	1.605	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@H]2CCCC(F)(F)C2)n1	282760819	OVFVLKJXVRDSQU-LURJTMIESA-N	305.716	1.981	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H](c2ccccc2)OC1=O)C1CCC1	289525526	PPQDNMOJLTUQIT-OLZOCXBDSA-N	302.330	1.238	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)n1	374488633	OXQMWODKPDJCAV-IUODEOHRSA-N	321.381	1.058	50	20	DDGD	
CSCC[C@H](O)C(=O)NNc1ccc2c(O)nccc2c1	285812503	VUJJDODOHHMDKV-LBPRGKRZSA-N	307.375	1.498	50	20	DDGD	
Cc1cc(NNC(=O)c2[nH]cnc2C(=O)c2ccccc2)ncn1	806863914	WKBQNPGJQDTLCX-UHFFFAOYSA-N	322.328	1.496	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)Nc2ccccc2)c1C(F)F	801987641	REEUEZGBOWQMRK-UHFFFAOYSA-N	309.276	1.824	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)CCCOCc1ccccc1	296211546	WLVLAWSKNSOEGD-UHFFFAOYSA-N	316.379	1.126	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1nc(-c2ccc(C)s2)cs1	806972802	MBDVMGCIZVKXKG-UHFFFAOYSA-N	324.387	1.286	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1ccc(F)c(Cl)c1	802027410	GEDRZSQVIWSWTQ-UHFFFAOYSA-N	308.700	1.763	50	20	DDGD	
O=C(C[C@@H]1CCc2ccccc2C1)NNC(=O)[C@@H]1CCCO1	292169465	PODNJYRQDMKEET-DOMZBBRYSA-N	302.374	1.508	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H](c2cncn2C)N(C)C)cc1	294330300	LZGDAZWWYJKXCG-HNNXBMFYSA-N	317.393	1.565	50	20	DDGD	
C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NNC(=O)[C@@H]1CCCO1	292664413	QUHQAWHAYSHVBU-BYCMXARLSA-N	317.389	1.819	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	296734144	BCEZXDSEFCDNLK-SNVBAGLBSA-N	319.770	1.805	50	20	DDGD	
CNC(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)c(C)c1	290488786	GTGFJOLKKOEAJB-UHFFFAOYSA-N	311.285	1.136	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@@H]1CCCc2ccccc21	299379883	NJQDQMJWYXKQLC-CQSZACIVSA-N	303.362	1.180	50	20	DDGD	
COc1ccc(CCCC(=O)NNC(=O)CC2CC2)c(OC)c1	294026971	CRFCSGHBCBQIFF-UHFFFAOYSA-N	320.389	1.974	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)c1c[nH]nc1[N+](=O)[O-]	801622742	ZKZWLAFKTALZHF-UHFFFAOYSA-N	301.184	1.492	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)[C@@H]2CCCO2)ccc1Cl	296953197	CHXJGESRFWWPPC-JTQLQIEISA-N	313.741	1.680	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)CCCC#N)o1	292350297	OFMRWNVUURKRCP-UHFFFAOYSA-N	306.366	1.576	50	20	DDGD	
C=CCOc1ccc(CC(=O)NNC(=O)[C@@H]2CCCO2)cc1	295391499	RONNIXKHBCBEKT-AWEZNQCLSA-N	304.346	1.120	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2coc(C)n2)c1	801601309	MENYSNSCLKXRPN-UHFFFAOYSA-N	305.290	1.075	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)N(C)C)cc1OCC	299375084	LTWHNPYRHOLZFG-UHFFFAOYSA-N	309.366	1.790	50	20	DDGD	
O=C1C[C@H](C(=O)NNC(=O)[C@@H]2CCCCO2)c2ccccc21	295326628	GYFKZYKAGUKAAG-JSGCOSHPSA-N	302.330	1.073	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1cn[nH]c1-c1cccs1	814953442	CQLZBSKYZCQENV-UHFFFAOYSA-N	300.347	1.554	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C1(F)CCCCC1	811249367	PCWHRPJRBUVYDP-LLVKDONJSA-N	316.373	1.784	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)Cn1cnc2ccccc21	811632104	ZWSPPRPTJJLPID-GFCCVEGCSA-N	313.361	1.197	50	20	DDGD	
Cn1ccnc1[C@@H](CC(=O)NNc1ncccn1)C(F)(F)F	816848671	HDLFRVPKHODTGK-MRVPVSSYSA-N	314.271	1.389	50	20	DDGD	
O=C(NNC(=O)C1CC1)C1CCC(OC[C@@H]2CCCO2)CC1	814714301	ALPLFDHRCFHICT-RUXDESIVSA-N	310.394	1.298	50	20	DDGD	
Cn1c(=NNC(=O)C[C@H]2CSCCN2)sc2ccccc21	818502590	ZGBXHZQIFOLQBR-JTQLQIEISA-N	322.459	1.267	50	20	DDGD	
N#CCCCn1cc(C(=O)NNc2nc[nH]n2)c2ccccc21	816634732	QWLBPHNKSRJSQD-UHFFFAOYSA-N	309.333	1.820	50	20	DDGD	
Cc1cc(C)c2c(c1)C(=NNC(=O)N=c1cc[nH]cc1)C(=O)N2	815002504	DUZBWHFAVDSJJA-UHFFFAOYSA-N	309.329	1.598	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc2c(c1)C(C)(C)CO2	811074758	SKIUWDPTMKDMFV-UHFFFAOYSA-N	314.345	1.912	50	20	DDGD	
C[C@H]1CN(C[C@@H](C)C(=O)NN=Cc2nccs2)C[C@@H](C)O1	814766938	UCIXUNJOSGWQDB-UTUOFQBUSA-N	310.423	1.339	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNc1ccc(-n2ccnc2)nn1	812559091	PNSCXKXCTHYJHF-MNOVXSKESA-N	304.354	1.024	50	20	DDGD	
CS(=O)(=O)c1ccc(NNC(=O)c2cccc(C#N)n2)cc1	810681281	NEXRBIXICZWPMY-UHFFFAOYSA-N	316.342	1.114	50	20	DDGD	
C[C@@H](CC(=O)O)C(=O)NNC(=S)Nc1cccc(Cl)c1	827303736	ISHVLEZIMNLPDV-ZETCQYMHSA-N	315.782	1.768	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C1CC1	495960286	FWMNYPTYQOKMIC-JTQLQIEISA-N	313.398	1.578	50	20	DDGD	
C[C@]1(C(=O)NNC(=S)NCCc2cccs2)CCOC1	820171010	BFWRPEDVIXVJPP-ZDUSSCGKSA-N	313.448	1.213	50	20	DDGD	
CCC(=NNC(=O)NCCNC(=O)OC(C)(C)C)c1cn[nH]c1	495734544	OLWMLQSXYYKMBQ-UHFFFAOYSA-N	324.385	1.348	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)c1	822223184	KDWQMOBVZAJBQI-TYNCELHUSA-N	301.390	1.950	50	20	DDGD	
Cc1ccc(CN(C)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)s1	827307593	SWODDQDPCOEIAT-PWSUYJOCSA-N	311.407	1.654	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NNc1ccc(-c2nn[nH]n2)cc1	824908542	PGQIZAMLSFUBIE-GHMZBOCLSA-N	315.381	1.183	50	20	DDGD	
CCOC(=O)N1CCC(C(=O)NNc2cc(C)ncn2)CC1	491499964	ZMDCQVMCDRLRPD-UHFFFAOYSA-N	307.354	1.097	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@H](C)C1CCN(C(=O)OC)CC1	492050185	YYTLLNSBLVWBOA-COVOJHCQSA-N	309.366	1.413	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CC[C@H](c3ccccc3)C2)c(F)c1	585035897	ZKYXYPHBZNGIBQ-YOEHRIQHSA-N	313.181	1.931	50	20	DDGD	
CC(=O)N1CCC(CNC(=O)NNc2ccc(F)cc2)CC1	729624244	RTVNVFQWYPZKPI-UHFFFAOYSA-N	308.357	1.710	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCN(c2ccccc2)C1	823176419	UJEJKUCLADFTKQ-GFCCVEGCSA-N	313.361	1.006	50	20	DDGD	
CC(=NNC(=O)c1cccn1C)c1ccc(-c2nn[nH]n2)s1	823953589	ICPRAWAAAYFDEH-UHFFFAOYSA-N	315.362	1.421	50	20	DDGD	
C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2cccc(B(O)O)c2)o1	584927060	LEDDZXDANGUWHM-ABAIWWIYSA-N	313.162	1.355	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)C1(C)CCC1	493198366	ABGRFTGSDKHBCJ-UHFFFAOYSA-N	314.386	1.032	50	20	DDGD	
C[C@]1(C(=O)N2CCC[C@@H](CC(N)=O)C2)C[C@H]1Br	906886010	QYOJMVYHFNCIOQ-SBMIAAHKSA-N	303.200	1.274	50	20	DDGD	
C[C@H](Cc1ccccc1)NC(=S)NNC(=O)C1CCOCC1	905570387	XXWXZRDAORXBJQ-GFCCVEGCSA-N	321.446	1.540	50	20	DDGD	
COc1ccnc(NNC(=O)C[C@@H](C)C(=O)c2ccccc2)n1	732752420	KXTHKPAIWGFSGS-LLVKDONJSA-N	314.345	1.837	50	20	DDGD	
COc1ccc(CCNC(=O)/C(C#N)=C/c2ccn(C)n2)cc1	490814754	XRDZVCLYEUMASI-SDNWHVSQSA-N	310.357	1.695	50	20	DDGD	
O=C(NN=Cc1ccc(O)cc1O)c1cccc(-c2nn[nH]n2)c1	738128763	LWQIPUCWXHRVKS-UHFFFAOYSA-N	324.300	1.042	50	20	DDGD	
COc1cc(Br)ccc1C(=O)NN(C)C[C@@H](C)O	824536169	OWZKEXLRBPYSOH-MRVPVSSYSA-N	317.183	1.415	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(C(F)(F)F)cn1	905489867	ZSDVDFSJPJNHJJ-JTQLQIEISA-N	314.267	1.219	50	20	DDGD	
CCCN1CCC(NC(=O)NNC(=O)c2ccccc2C)CC1	730578131	KXJLHRQPQHINJV-UHFFFAOYSA-N	318.421	1.813	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cccc(C(F)(F)F)c1)C(=O)O	737392863	CBEYSIMFGOZHBG-UHFFFAOYSA-N	319.239	1.076	50	20	DDGD	
Cc1ccc(C)c(C2=NO[C@@H](C(=O)NNC(=O)NC(C)C)C2)c1	900416959	KBQKHVOIHXPSIL-CQSZACIVSA-N	318.377	1.535	50	20	DDGD	
C[C@@]1(C(=O)NCc2nc(C3CC3)no2)C[C@@H]1Br	906334911	XHAKYZGAUAKTPL-WRWORJQWSA-N	300.156	1.737	50	20	DDGD	
NC(=O)C(=O)NN=C1CCCCc2ccc(Br)cc21	834917212	BLOVBGPMULBQJS-UHFFFAOYSA-N	324.178	1.481	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H](C)CSC)cc1F	838482635	NRSWWXSLYVUMAW-QMMMGPOBSA-N	315.370	1.990	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCc3nn[nH]c3C2)cc1	490689729	BKVSPMJEKMXKNI-LCYFTJDESA-N	323.356	1.695	50	20	DDGD	
CC[C@@H](C)c1nc(C)c(CC(=O)N2CC[C@@H](B(O)O)C2)c(C)n1	585063713	FXEZJBVRYXTNDP-ZWNOBZJWSA-N	319.214	1.225	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)NNC(=O)Nc2ccc3c(c2)OCO3)C1	836414878	BXAYTDPTQNHQIO-ZJUUUORDSA-N	320.349	1.940	50	20	DDGD	
CC(C)N1CCC[C@@H](CNC(=O)/C(C#N)=C/c2cnn(C)c2)C1	491163698	XRKNFSRJVJSOPQ-WBNYAZSOSA-N	315.421	1.564	50	20	DDGD	
CN(C)CC(=O)NN=C1C[C@]2(CCOC2)Oc2ccccc21	901183250	JVASWAFCIGLWDH-INIZCTEOSA-N	303.362	1.010	50	20	DDGD	
Cc1ccc2oc(C(=O)NNC(=O)[C@@H]3CCCCO3)cc2n1	833250751	LGKNVSHBSPREDN-LBPRGKRZSA-N	303.318	1.466	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NC[C@H]2CCC=CO2)ccc1F	838567714	VDKCBBBWNLMONS-LLVKDONJSA-N	323.324	1.931	50	20	DDGD	
C[C@@H]1O[C@H](C)CC1=NNC(=O)c1nn(-c2ccccc2)cc1O	834930744	KWRNWDYRDKRWDD-MNOVXSKESA-N	314.345	1.861	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@H]1CCN2CCC[C@H]2C1	837596786	PFRQKEKDMBVFHI-QWRGUYRKSA-N	311.336	1.613	50	20	DDGD	
Cn1cccc1[C@@H]1CCCCN1C(=O)c1cccc(B(O)O)c1	584953673	BSUAMTFATZWPNF-INIZCTEOSA-N	312.178	1.072	50	20	DDGD	
C[C@H](C[C@H](O)c1ccccc1)NCc1ccc(B(O)O)cc1F	585033632	GEFFYLPCIZFXLD-PXAZEXFGSA-N	317.169	1.107	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCCOc3ccc(F)cc32)o1	585018970	YGLGVISFBUFEPU-ZDUSSCGKSA-N	305.114	1.102	50	20	DDGD	
CC(=O)c1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)ccc1F	831793263	NYQYXPNDAKHMED-GXSJLCMTSA-N	323.324	1.606	50	20	DDGD	
Cc1ccc(OC[C@H](C)NC(=O)NNc2ccncn2)cc1	836261073	WPORHEGFHXPCBX-LBPRGKRZSA-N	301.350	1.879	50	20	DDGD	
CCOc1ccc(NC(=O)CNS(=O)(=O)CCl)cc1	830334321	FISNJHUEMUZNKK-UHFFFAOYSA-N	306.771	1.140	50	20	DDGD	
C[C@H](Oc1ccccc1F)[C@@H](C)NCc1cccc(B(O)O)c1	585029729	SODQPVOCWKKHQF-OLZOCXBDSA-N	317.169	1.451	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)C1(c2cccnc2)CCCC1	584911845	NPTKQVJCSPBOOA-UHFFFAOYSA-N	310.162	1.212	50	20	DDGD	
COC(C)(C)C[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCCCO1	836324371	MGDZVWGFBCWECV-MNOVXSKESA-N	301.387	1.090	50	20	DDGD	
CC(C)c1[nH]nc(C(=O)NN(C)C[C@H](C)O)c1Br	910166641	ZIJQWBWPUUTQGC-ZETCQYMHSA-N	319.203	1.253	50	20	DDGD	
CS[C@H]1CCN(CC(=O)NNC(=O)c2cccc(C)c2)C1	830888807	JIROBCBDKWOCKS-ZDUSSCGKSA-N	307.419	1.193	50	20	DDGD	
CO[C@@H]1CCN(C(=O)NNC(=O)c2ccccc2C)C[C@@H]1C	836191718	IXGARSYFSUBKHV-GXTWGEPZSA-N	305.378	1.706	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1sc(N2CCCC2)nc1Cl	910167562	HYLWKDITJZHKBY-QMMMGPOBSA-N	318.830	1.354	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@]2(C)CCCOC2)cc1F	837058667	NSXPQFQCRSGMHR-OAHLLOKOSA-N	310.325	1.872	50	20	DDGD	
O=C(COc1ccccc1F)NN[C@@H](C(=O)O)c1ccccc1	833114718	JFXXEAAARJLWME-OAHLLOKOSA-N	318.304	1.651	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1nccn2ccnc12	746701015	FXAXFKHFGZRXEP-UHFFFAOYSA-N	307.235	1.904	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(OC(F)F)cc1	748259984	NXPVXNFIXLERHJ-JTQLQIEISA-N	316.304	1.790	50	20	DDGD	
CC1(C)C[C@H](NC(=O)NNC(=O)N=c2cc[nH]cc2)C(C)(C)O1	836392557	JEVSUUQCRIGSHS-NSHDSACASA-N	321.381	1.185	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H](c2ccccc2)n2cccn2)n1	748710974	JELZZJMTERVGPJ-AWEZNQCLSA-N	324.344	1.414	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)NCCS(C)(=O)=O	916505663	YAXUEEXJZDSBAG-UHFFFAOYSA-N	305.787	1.319	50	20	DDGD	
COc1ccc(Br)c(NNC(=O)CC2COC2)c1	910550899	QFCJMSRCLKIJTH-UHFFFAOYSA-N	315.167	1.937	50	20	DDGD	
CCCC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1CC1(C)C	841620712	KWZWBYRDLPOJFT-GHMZBOCLSA-N	315.439	1.675	50	20	DDGD	
CC1=C(C(=O)NNc2ccccc2[N+](=O)[O-])C(=O)OC1(C)C	748555569	ICDWYJBKOXKFPW-UHFFFAOYSA-N	305.290	1.690	50	20	DDGD	
CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NNc1nnc(C)c(O)n1	743295210	IBKLQGZJZSSIIA-DLOVCJGASA-N	323.397	1.703	50	20	DDGD	
N#Cc1ccc(NCC(=O)NNC(=O)CC2CCCC2)cc1	749940815	PPMDUUPMOPQIGE-UHFFFAOYSA-N	300.362	1.698	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cccnc2N2CCOCC2)cc1	748106419	PDOXVIBFVACVBU-UHFFFAOYSA-N	323.356	1.547	50	20	DDGD	
CCNC(=O)NNC(=O)C1(C(=O)OC(C)(C)C)CCCCC1	845298970	FQPUOPBNMMBCIR-UHFFFAOYSA-N	313.398	1.629	50	20	DDGD	
Cc1ccc(C=NNC(=O)Cc2cc(O)nc(O)n2)c(C)c1	743445686	BZYBDHJUNVYCHM-UHFFFAOYSA-N	300.318	1.197	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1c(O)cccc1Cl	747513679	CSNJDEKTNSQGMO-UHFFFAOYSA-N	305.721	1.444	50	20	DDGD	
CC(C)Oc1cccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)n1	843662579	RRZHFOJFJVQGTP-QWRGUYRKSA-N	307.350	1.055	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)Cc2ccccc2F)CS1	840417311	HUQYFQKXGADXAC-ONGXEEELSA-N	311.382	1.593	50	20	DDGD	
CC(C)Oc1cncc(S(=O)(=O)NCCCSC#N)c1	916999168	CBXWYBINWZXCKV-UHFFFAOYSA-N	315.420	1.751	50	20	DDGD	
NC(=O)[C@@]1(NC(=O)CCCC[C@H]2CCSS2)CCOC1	848320655	ZJHYJYDZMIKGNO-GXFFZTMASA-N	318.464	1.461	50	20	DDGD	
C=CCCn1cc(/C=C(\C#N)C(=O)NCCCOCC)nn1	849241623	JYGYCGFOVQDXNG-JLHYYAGUSA-N	303.366	1.304	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc(C(N)=S)cc1	918676885	CTBKZRDDNWQLGL-UHFFFAOYSA-N	313.382	1.704	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(C(F)(F)F)cn1	849200353	GPXBLWQQSWIWDD-UHFFFAOYSA-N	304.297	1.395	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2ccc3c(c2)OCCO3)CCN1C	741459266	YFABNALJXYVJCE-NSHDSACASA-N	303.362	1.658	50	20	DDGD	
Cc1ccc2c(c1)CC[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)O2	843654649	IYQGIFJLCHPFPO-UXIGCNINSA-N	318.373	1.261	50	20	DDGD	
COCCOCC(C)=NNC(=O)[C@H](C)Oc1ccc(F)cc1	741161597	BAYRVRIGTPRCDJ-LBPRGKRZSA-N	312.341	1.748	50	20	DDGD	
CC1(C)CCCC[C@H]1CC(=O)NNC(=O)CN1CCCC1=O	913731377	GBYOQESZJGASIC-LBPRGKRZSA-N	309.410	1.363	50	20	DDGD	
N[C@@H](CNC(=O)NNC(=O)c1cc2ccccc2o1)C1CC1	841968737	UYDVHNWWMGDENT-NSHDSACASA-N	302.334	1.114	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C[C@H](c1ccccc1)N(C)C	843971160	OXEDVXRCDGPUCJ-AEGPPILISA-N	319.405	1.252	50	20	DDGD	
Cc1cc(NNC(=O)c2cccc(-c3cnn(C)c3)c2)ncn1	743414083	JUYPVPRERXERLR-UHFFFAOYSA-N	308.345	1.942	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@H](C)NS(=O)(=O)CBr	841561685	SOTBDPHEBKASCN-IONNQARKSA-N	300.218	1.462	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCC(C2CC2)C2CC2)c1	743589271	HHHREGOSJCLACR-UHFFFAOYSA-N	312.373	1.938	50	20	DDGD	
COCCOc1ccc(C(C)=NNC(=O)N(C)C)cc1OC	745601496	CIWMGQARRUKSFD-UHFFFAOYSA-N	309.366	1.716	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccccc1OC1CCC1	843650586	DZQRKADFPIKPII-DGCLKSJQSA-N	318.373	1.804	50	20	DDGD	
CN(C)c1ccc(NC(=O)NN=Cc2cnc3cnccn23)cc1	746371752	FTBHIQSGKHJXOD-UHFFFAOYSA-N	323.360	1.951	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N[C@H]1CCCNC1)c1ccccc1	841941320	LKZJMDKANWOIKL-UONOGXRCSA-N	304.394	1.263	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1	920859006	NAXCXYLZCLCTRH-UHFFFAOYSA-N	318.289	1.695	50	20	DDGD	
COc1cc(Cl)cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	843662986	VSSDTHPMRZDGNW-PRHODGIISA-N	312.753	1.535	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC2(N)CCCCC2)c1	841924537	WJOVYJFBUOCKKV-UHFFFAOYSA-N	320.393	1.761	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNC(=O)Nc2cc(F)cc(F)c2)CCN1C	843880727	SVIKYZKTBGYRNL-PRHODGIISA-N	312.320	1.458	50	20	DDGD	
Cc1noc(C(F)(F)F)c1C(=O)NNC(=O)CC(F)(F)F	750239450	WGYXFCXBZZYLOK-UHFFFAOYSA-N	319.161	1.715	50	20	DDGD	
C#C[C@H](CC)NC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	854067659	BCIHYJKTHAAKEA-ZIAGYGMSSA-N	317.389	1.813	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC(c2ccncc2)CC1	759935749	CRRBAQJUWLHQES-UHFFFAOYSA-N	318.421	1.455	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cc1ccccc1CO)C1CC1	855100064	UDTJROVZQJWSQA-JTQLQIEISA-N	307.419	1.015	50	20	DDGD	
CC1=NO[C@H](CNC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)C1	854789530	CGOQBTFTXNAZIV-WQPBDQAGSA-N	311.345	1.393	50	20	DDGD	
CCc1ccc2c(c1)C(=NNC(=O)NCc1ccco1)C(=O)N2	920826222	TVTQHTPREVCIRY-UHFFFAOYSA-N	312.329	1.998	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1F)c1cnn(C)c1	750082505	ZPWQVCQGCBREIY-MRVPVSSYSA-N	324.743	1.777	50	20	DDGD	
CC(C)(C)OC(=O)NC[C@@H]1CCCC1=NNC(=O)c1cc[nH]n1	853392492	NENHPFXXOVJHNR-JTQLQIEISA-N	321.381	1.820	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CN2CCCCC2=O)c1C	855628226	RNNYGFRBVCFQQB-UHFFFAOYSA-N	319.361	1.237	50	20	DDGD	
CCOC1(C(=O)NC[C@@]2(C)C[C@@H]2Br)CCOCC1	857688988	SEMFDPONMHJCRI-CMPLNLGQSA-N	320.227	1.862	50	20	DDGD	
C[C@@H]1COC[C@H]1NC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	926002721	GXYALRCLKIVKGK-ZWNOBZJWSA-N	321.381	1.123	50	20	DDGD	
CSSCCNC(=O)N(CCOCCO)C1CCC1	854051192	PLUXXFWNTCNZGS-UHFFFAOYSA-N	308.469	1.571	50	20	DDGD	
CC(C)n1ccnc1C=NNC(=O)CNC(=O)OC(C)(C)C	853328987	SZRBJZKJNAEXKD-UHFFFAOYSA-N	309.370	1.439	50	20	DDGD	
N[C@H]1C[C@H](C(=O)NNc2c(F)cc(F)cc2Br)C1	852848022	YJPDWZYKRDRONX-KBTIHESUSA-N	320.137	1.908	50	20	DDGD	
Cc1cc(CS(=O)(=O)NC[C@]2(C)C[C@@H]2Br)on1	856755556	WAVTYEXKDYXGSK-UWVGGRQHSA-N	323.212	1.576	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CCCN2C2CC2)C[C@H]1Br	857390127	BSCGPXZCAYHGLN-DMDPSCGWSA-N	301.228	1.903	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)N[C@H]1CCCN(C)C1=O	921313886	VKGLWXPVDGCIMQ-LBPRGKRZSA-N	310.785	1.895	50	20	DDGD	
C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1Br	857387419	HVTKJOQCXWOVFI-MUWHJKNJSA-N	303.116	1.221	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)c2ccccc2OC)CCC1	751945762	JBAKUJVUGRGKPP-UHFFFAOYSA-N	320.345	1.190	50	20	DDGD	
O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)OCC(F)(F)F	856024954	KYGUKRUUIRGRMO-VIFPVBQESA-N	304.224	1.310	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1cc(C)cs1)[C@H]1CCCO1	858325051	YWKUQKXRWUHKPB-GHMZBOCLSA-N	311.407	1.958	50	20	DDGD	
CC[C@H](OC)C(=O)NNC(=S)NCCc1cccs1	753018449	WRWOOYNCAFJBAG-JTQLQIEISA-N	301.437	1.211	50	20	DDGD	
Cc1ncc(NC(=O)NNC(=O)COCc2ccccc2)cn1	756365703	CFBJNVYVWBZHGP-UHFFFAOYSA-N	315.333	1.155	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccc(C(N)=O)s2)C[C@H]1Br	857400940	JTWYKWFMSOPZPY-KCJUWKMLSA-N	317.208	1.750	50	20	DDGD	
CO[C@@H](C)CNC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	852530418	DVFGRZODZBAWQG-JTQLQIEISA-N	309.370	1.123	50	20	DDGD	
CC[C@@H](NC(=O)NNc1ccc(-n2ccnc2)nn1)C1CC1	852593124	CXRDKFOVVJZIHB-LLVKDONJSA-N	301.354	1.477	50	20	DDGD	
C[C@]1(CNS(=O)(=O)c2ccc(C#N)o2)C[C@@H]1Br	856752008	FXSZQEWQMUAZIY-WCBMZHEXSA-N	319.180	1.603	50	20	DDGD	
CC[C@@H](C)CCNC(=O)NNc1ccc(-n2ccnc2)nn1	852491695	YLRHFDZASWKFLL-LLVKDONJSA-N	303.370	1.725	50	20	DDGD	
Cn1c(=NNC(=O)[C@@H](C(=O)O)C2CC2)sc2ccccc21	852950610	QRUXEYDVONRRTR-NSHDSACASA-N	305.359	1.283	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1O	753778287	CQPZPWHERXBOLT-UHFFFAOYSA-N	315.285	1.684	50	20	DDGD	
CCOCC(C)=NNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C	853370969	DPZAMYJPRPAPGE-CHWSQXEVSA-N	308.382	1.416	50	20	DDGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cn(CC(=O)O)nn2)c1C	759084164	NZRWOJBBUCTTSI-WUXMJOGZSA-N	310.313	1.769	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cnn(C3CC3)c2)cc1	861566963	WWJYLZBKZNEQJZ-UHFFFAOYSA-N	315.333	1.693	50	20	DDGD	
COCCCn1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cn1	860311822	BQFJFDXEGHHWTP-UHFFFAOYSA-N	319.321	1.585	50	20	DDGD	
Cc1c(NNC(=O)[C@H](C)[C@H]2CCC(=O)N2)cccc1[N+](=O)[O-]	860325162	CWDRKBIUKWWPRJ-NXEZZACHSA-N	306.322	1.261	50	20	DDGD	
Cc1ccn2c(=O)c(C(=O)NN[C@@H](C)C(F)(F)F)cnc2c1	862310340	VRZWYYNWGGEQFW-QMMMGPOBSA-N	314.267	1.188	50	20	DDGD	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NNC(=O)C(C)(C)O	768262428	WJKWARUAUPYHLM-FRRDWIJNSA-N	314.426	1.382	50	20	DDGD	
C/C(=C\c1ccc(Cl)cc1)C(=O)NNC(=O)[C@H]1CCC(=O)N1	862457599	LYBDTAZGBYRXLG-IDVQTMNDSA-N	321.764	1.169	50	20	DDGD	
CC(C)Cc1ccc(C(=O)NNC(=O)N2CCOCC2)s1	931115274	SRJAJFYHPJHTCU-UHFFFAOYSA-N	311.407	1.633	50	20	DDGD	
CSc1nc2ccc(NC(=O)C(=O)NNC(C)=O)cc2s1	763515776	ANNWVHWPWJGTQF-UHFFFAOYSA-N	324.387	1.124	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1c[nH]c2cccc(F)c12	769866285	TZUOVGVVAPEFAY-UHFFFAOYSA-N	314.342	1.210	50	20	DDGD	
C[C@H](NNC(=O)c1cnn(C)c1C(F)(F)F)C(F)(F)F	862309974	QMFVSHPKAYFUEM-BYPYZUCNSA-N	304.194	1.624	50	20	DDGD	
O=C(NN=C1CCN2CCC[C@H]12)Nc1ccc(C(=O)O)cc1	765581437	PLJZTUVBLGNCPW-CYBMUJFWSA-N	302.334	1.730	50	20	DDGD	
CCc1ccc(C=NNC(=O)Cn2nnc(-c3ccccc3)n2)o1	760224236	NRXJWTWFNOKUSU-UHFFFAOYSA-N	324.344	1.646	50	20	DDGD	
CC[C@@H](C)Oc1ccc(C(=O)NNC(=O)c2cn[nH]c2)cc1	862472609	OBUACGAFCGOYCG-SNVBAGLBSA-N	302.334	1.662	50	20	DDGD	
CC1(C)CCc2cc(C=NNC(=O)[C@@H]3CCC(=O)N3)ccc2O1	863145329	MNLGQPZDMQHPBU-ZDUSSCGKSA-N	315.373	1.519	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1cccc2ccccc12	866038381	NNDOWWUQQIDJQB-UHFFFAOYSA-N	317.345	1.656	50	20	DDGD	
C[C@H](CS(C)(=O)=O)NC(=O)NNc1cccc(F)c1Cl	875284968	MCYUYTISORXFMF-SSDOTTSWSA-N	323.777	1.538	50	20	DDGD	
O=C(NCCOC[C@H]1CCCO1)NNc1cc(Cl)ccn1	778671506	YRHBFHPTFYCUOE-LLVKDONJSA-N	314.773	1.557	50	20	DDGD	
CC1=NO[C@H](C(=O)NNC(=S)Nc2ccc(N(C)C)cc2)C1	874953315	BUFZRWNZFHDQDK-LBPRGKRZSA-N	321.406	1.235	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@](C)(O)CCc1ccccc1	1116926411	LIAOYJMSDCZAKL-HNNXBMFYSA-N	309.435	1.274	50	20	DDGD	
COc1ccc(CCC(=O)NN=C(C)c2cn(C)cn2)cc1	872344767	NHKOPMWAUNUYJE-UHFFFAOYSA-N	300.362	1.902	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1	875371847	SMQYREDYQFQCIU-OCCSQVGLSA-N	320.393	1.562	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2ccnc(F)c2)nc1C	778425903	HUWSUNILENZUOD-UHFFFAOYSA-N	319.296	1.253	50	20	DDGD	
N#Cc1cccc(C2(C(=O)NNC(=O)c3ccncc3)CC2)c1	1116325692	HWRFEFPHIBCYIE-UHFFFAOYSA-N	306.325	1.446	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)NCCc2cccs2)CCO1	776343178	RHAQNCMUENBROV-MNOVXSKESA-N	311.407	1.436	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@H]2C[C@H](OC)C2)cc1	875903210	HOUSYBNJDZVKKR-JOCQHMNTSA-N	307.350	1.206	50	20	DDGD	
CCc1cc(NNC(=O)c2ccncn2)nc(-c2ccccn2)n1	779377351	MGKBRCDVRKREMY-UHFFFAOYSA-N	321.344	1.648	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCCc2sccc21	772206601	IFEMBKDOYSFMPO-ONGXEEELSA-N	324.402	1.657	50	20	DDGD	
COCCO[C@@H]1COCC[C@H]1NC(=O)NNc1ccccc1	777279100	NAXMIGFJNYIKLY-ZIAGYGMSSA-N	309.366	1.133	50	20	DDGD	
C=C/C=C/CCNC(=O)NNC(=O)c1cccc(N(C)C)c1	883825256	JCJROCZBWHLXJO-AATRIKPKSA-N	302.378	1.829	50	20	DDGD	
O=C(CCNS(=O)(=O)CCCCl)Nc1ccccc1	881891940	QVJIZRMCWXVUIO-UHFFFAOYSA-N	304.799	1.564	50	20	DDGD	
O=C(NN=Cc1cn(Cc2cccnc2)nn1)NC1CCCC1	783836820	BXSULHDXBWXBIL-UHFFFAOYSA-N	313.365	1.297	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@H](C)c1csc2ccccc12	1120040571	HLAJUHGDTYZMHX-MRVPVSSYSA-N	321.358	1.466	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)/C=C/c2ccc[nH]2)cc1	788632136	RMFWOLDYDOEOTN-RMKNXTFCSA-N	314.345	1.296	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCCc1nc(CCC)no1	887141906	OAGXZEQEHMTMOK-UHFFFAOYSA-N	306.366	1.296	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1cccc2ccncc12	784797094	SOCHWAJBZGHPMW-UHFFFAOYSA-N	307.313	1.712	50	20	DDGD	
CCN(CCO)c1ccc(C=NNC(=O)C(C)(C)O)c(C)c1	785462370	NHTBIIFEBCCQOP-UHFFFAOYSA-N	307.394	1.035	50	20	DDGD	
O=C(Cn1cc2ccccc2n1)NNc1ncncc1Cl	781830087	KGYLZOHXQIXPKC-UHFFFAOYSA-N	302.725	1.623	50	20	DDGD	
CCN(CC(=O)NNC(=S)NC(C)(C)C)c1ccccc1	899991879	DFEDEWUMOXEECM-UHFFFAOYSA-N	308.451	1.807	50	20	DDGD	
CCOC(=O)N(C)CCCC(=O)NNc1nccnc1Cl	896386326	QFKSUKQRWLTQKX-UHFFFAOYSA-N	315.761	1.442	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NN=Cc1cnc(N)nc1	781584529	UMPHKSVDTDNEBT-SECBINFHSA-N	303.297	1.116	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@@H]1CCS(=O)(=O)C1	781068848	QPTJXKPLBGPHBY-SFYZADRCSA-N	312.229	1.099	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCc2ccccc2F)n1	792764829	WYQFHAWPRPDVAD-UHFFFAOYSA-N	302.309	1.673	50	20	DDGD	
O=C1CN(CCI)[C@H]2CCCC[C@@H]2N1	190936583	GFTCKYUJIIZVFO-IUCAKERBSA-N	308.163	1.164	50	20	DDGD	
CN1CCCC[C@@H](CNC(=O)NNC(=O)OC(C)(C)C)C1	897544691	WMQUWJSJBIXASI-NSHDSACASA-N	300.403	1.457	50	20	DDGD	
Cc1cc[nH]c1C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	797793829	XUWCUQOTPYHCSN-SNVBAGLBSA-N	305.309	1.691	50	20	DDGD	
CO[C@@H]1CCN(CC(=O)NNC(=O)c2cccs2)[C@H](C)C1	799343866	OYNNNHGCKZSNFM-GHMZBOCLSA-N	311.407	1.008	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ncccn2)c2ccccc2n1	799007596	DJKXWHWQVVRSBE-UHFFFAOYSA-N	307.313	1.408	50	20	DDGD	
CC(C)(O)C(=O)NN=C1c2ccccc2CC12CCOCC2	794932437	HBMKJQJRRGRBHN-UHFFFAOYSA-N	302.374	1.631	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H](OC)[C@@H](C)CC	794865436	XZLBWTQNGGYUJJ-LRDDRELGSA-N	322.405	1.836	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)C2CCCC2)c(C(F)(F)F)n1	797827413	GXQVAOHAWLHNBY-UHFFFAOYSA-N	318.299	1.873	50	20	DDGD	
Cc1cccc(C(=O)NNS(=O)(=O)c2ccc(C)c(F)c2)n1	794601418	SOBLVFXTFRDDDI-UHFFFAOYSA-N	323.349	1.461	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cc(=O)c(OC)co2)cc1	798831529	LEJGWOIJDJQFFO-UHFFFAOYSA-N	316.313	1.286	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21	1319002978	FAMUJICPPHLPNX-SNVBAGLBSA-N	323.349	1.105	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCOC[C@H]2CCCO2)cc1	1318789476	OYTGTYGDPQKEJZ-CQSZACIVSA-N	322.361	1.042	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCn2ccnc2C1)c1ccccc1Cl	1325346163	NCKTXVCLYLJELJ-SNVBAGLBSA-N	318.764	1.560	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(C(=O)NC)cc1C	1325336543	MOSHITWCGIPZLQ-SECBINFHSA-N	306.366	1.553	50	20	DDGD	
CC(C)(C)n1nccc1NC(=O)C(=O)NNc1ccccn1	1329388392	RFFUQQJDBIBDFA-UHFFFAOYSA-N	302.338	1.115	50	20	DDGD	
Cc1ncccc1CC(=O)NNC(=O)COc1ccccc1F	1326637725	ZYJIVNBYPXCEMW-UHFFFAOYSA-N	317.320	1.298	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cnn2cccc(Cl)c12	1330103272	WHHVPZKNLQODLQ-UHFFFAOYSA-N	311.798	1.505	50	20	DDGD	
Cc1nnc(CNC(=O)NNc2ccc(F)cc2Cl)n1C	1334308160	JDNCPOKLXJZMDC-UHFFFAOYSA-N	312.736	1.742	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	1338504101	GRMGUTBNIMLIHJ-DMDPSCGWSA-N	324.352	1.556	50	20	DDGD	
CO[C@H]1CCC[C@@H]1C(=O)NNC(=O)Cc1ccc(Cl)cc1	1336022382	XBAXGXQYKHDLHU-STQMWFEESA-N	310.781	1.845	50	20	DDGD	
O=C(NC[C@H]1C[C@H]2C=C[C@H]1C2)NNC(=O)c1ccccc1F	1333842007	SINAVENUCHXPRQ-SDDRHHMPSA-N	303.337	1.982	50	20	DDGD	
CCn1c(O)nc2cc(C(=O)NNC(=S)NC(C)C)ccc21	1333765929	CACAPWSRLISLOQ-UHFFFAOYSA-N	321.406	1.279	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)CCN1CCC(C)CC1	1261277495	AEHAKWSQJQGEBE-UHFFFAOYSA-N	306.414	1.179	50	20	DDGD	
COCc1nocc1C(=O)NNC(=O)c1cc2c(s1)CCC2	1346089148	MBQRWQDADOEUHA-UHFFFAOYSA-N	321.358	1.446	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@H]1CCCCN1Cc1cccc(F)c1	1347684476	FDWHYTPSKMFUAF-CZUORRHYSA-N	323.412	1.524	50	20	DDGD	
COc1ccc(C(=O)NNc2ccn(C)n2)c(OC(C)C)c1	1261383472	MRBTZRYFAZGYAZ-UHFFFAOYSA-N	304.350	1.973	50	20	DDGD	
COC1(c2cnnn2C)CN(C(=O)C2CCC(Cl)CC2)C1	1528828685	YQHFYSYRVFBJNJ-UHFFFAOYSA-N	312.801	1.297	50	20	DDGD	
O=C(/C=C/c1nccs1)NNC(=O)COc1ccc(F)cc1	1520837792	FEWJDRXIIJJUCD-AATRIKPKSA-N	321.333	1.522	50	20	DDGD	
COc1ccnc(NNC(=O)NCCCc2ccsc2)n1	1521348784	CZKIKPLHABCETC-UHFFFAOYSA-N	307.379	1.806	50	20	DDGD	
O=C(O)c1cc(NNC(=O)c2c(F)cncc2F)ccc1F	1602287724	XEINCWYQYPFLJM-UHFFFAOYSA-N	311.219	1.954	50	20	DDGD	
Cc1cc(C(=O)N(c2nc(CC(=O)O)cs2)N(C)C)c(C)[nH]1	1600079060	CPDIDPYVDGLMJD-UHFFFAOYSA-N	322.390	1.839	50	20	DDGD	
Cc1cc(C(=O)O)ccc1NC(=O)NNC(=O)C1CCOCC1	1600122630	NHGJHHXYGRHQDI-UHFFFAOYSA-N	321.333	1.273	50	20	DDGD	
CC(CCC(=O)O)=NNC(=O)CNC(=O)OCc1ccccc1	1604130706	RQASUQKWHWGNDV-UHFFFAOYSA-N	321.333	1.270	50	20	DDGD	
O=C(NCC1=CCOCC1)NNc1ccc(C(=O)O)cc1F	1601476698	CUGCLKJGQCFOGI-UHFFFAOYSA-N	309.297	1.497	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H](CC(=O)O)Cc1ccccc1	1605503592	DDIYFQFQFHMXGQ-YPDDLIOESA-N	302.330	1.633	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](C(=O)O)c1ccc(F)c(C)c1	1605618476	KRBQYNONJRZBRQ-BIRHUZIMSA-N	306.293	1.820	50	20	DDGD	
O=C(Cc1ccc(O)c(O)c1)NNc1cccc(F)c1C(=O)O	1608363446	IBVXWRPRXWRCDT-UHFFFAOYSA-N	320.276	1.621	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1cncc(Cl)c1	1606857932	GWFKTZIDYPSWGF-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1609316783	OAXKTWSNKXCLLB-UWVGGRQHSA-N	304.354	1.228	50	20	DDGD	
CC(C)(C)[C@H](O)C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1603062968	ZHSLMBPCSWAAQL-SNVBAGLBSA-N	324.772	1.370	50	20	DDGD	
O=C(NNc1cccc(F)n1)C(=O)Nc1sccc1C(=O)O	1610700958	ZQPRQTMGYSSHEN-UHFFFAOYSA-N	324.293	1.062	50	20	DDGD	
O=C(NNc1ccc(F)cc1)C(=O)Nc1cc(C(=O)O)cs1	1610701600	VBFKVPVEXMYROX-UHFFFAOYSA-N	323.305	1.667	50	20	DDGD	
O=C(NN=Cc1cscc1Cl)[C@@H]1CN2CCC[C@H]2CO1	1549320261	YPZUKAVLGGBWMB-JQWIXIFHSA-N	313.810	1.715	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)C[C@H]1NCc2ccccc21	1579788608	PESBAGSMSXJXMQ-MRXNPFEDSA-N	309.369	1.991	50	20	DDGD	
COC[C@]1(C(=O)NNc2cccc(C(=O)OC)c2)CCCCN1	1578976894	LVMZVUAECGRALF-INIZCTEOSA-N	321.377	1.075	50	20	DDGD	
CCN(C)[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1845747164	SDIJFGDGKVFIBY-MNOVXSKESA-N	319.808	1.064	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2N1)c1ccccc1F	1580733033	MELZXWHTYHXCOS-UGFHNGPFSA-N	319.380	1.898	50	20	DDGD	
C[C@H](NS(=O)(=O)CCl)c1cccc(-c2nn[nH]n2)c1	1589975776	GOSSBVUZHOZTOI-ZETCQYMHSA-N	301.759	1.043	50	20	DDGD	
C[C@]1(C(=O)NCC2(C(=O)O)CCOCC2)C[C@H]1Br	1593754260	UPNYRGMGJVTBDU-KCJUWKMLSA-N	320.183	1.158	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cn[nH]c2)C1	1843501826	RHKGMYIQSJXSPL-LLVKDONJSA-N	310.785	1.244	50	20	DDGD	
CO[C@](C)(C(=O)O)C(=O)Oc1ccc([N+](=O)[O-])c2ncccc12	1593933510	HYRAZRZRZLPIRW-CQSZACIVSA-N	320.257	1.538	50	20	DDGD	
COc1cccc([C@H](O)C(=O)NNc2ccccc2C(=O)O)c1	1599660135	QZPAZJAFFKBIJO-AWEZNQCLSA-N	316.313	1.570	50	20	DDGD	
C[C@@H](O)c1ncc(C=NNC(=O)c2cccc(C(=O)O)c2)s1	1776095817	VRCDKAYFFYOWAJ-MRVPVSSYSA-N	319.342	1.659	50	20	DDGD	
Cc1[nH]c(C(=O)NNC(=O)C2CC2)c(C)c1C(=O)OC(C)C	15663210	BPYDUJCHXKJWBZ-UHFFFAOYSA-N	307.350	1.368	50	20	DDGD	
COCc1cccc(C(=O)NNC(=S)Nc2ccccn2)c1	161853446	OFBGISCXPGAQRW-UHFFFAOYSA-N	316.386	1.859	50	20	DDGD	
CN(C)CCN1C[C@@H](C(=O)NNc2ccccc2Cl)CC1=O	158269733	UMGSXOUMZFLXRO-NSHDSACASA-N	324.812	1.193	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@H]1CCO[C@H](C2CC2)C1	163782696	UTGAXALNMPLZAQ-KBPBESRZSA-N	303.362	1.588	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cncc(F)c1	164300921	RCMZTOHQRZMKKL-VIFPVBQESA-N	321.283	1.588	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCOC1)c1cc(-c2cccs2)n[nH]1	151098755	DQTBXDNYZKQMHX-SECBINFHSA-N	320.374	1.326	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2cccnc2-n2cccn2)c1	152316176	OSYHQUDCXCGUBP-UHFFFAOYSA-N	304.313	1.896	50	20	DDGD	
Cc1noc(CCCC(=O)NNC(=O)CCc2ccccc2)n1	154155839	FIGOJFPCSPCAJZ-UHFFFAOYSA-N	316.361	1.481	50	20	DDGD	
Cn1nnc(Br)c1C(=O)NCC(Cl)Cl	306203488	UNONAMGANBPHKQ-UHFFFAOYSA-N	301.959	1.111	50	20	DDGD	
CCCN(CC(N)=O)S(=O)(=O)c1ccc(CCl)cc1	388830932	XCAJJRUXLDYRRP-UHFFFAOYSA-N	304.799	1.311	50	20	DDGD	
CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)CCl)CC1	820786527	LIEIKNCHFYWMJZ-UHFFFAOYSA-N	312.819	1.502	50	20	DDGD	
CN(C[C@@H](O)CN(C)C1CC1)NC(=O)OCc1ccccc1	859386426	OULTXACWXOHNHR-HNNXBMFYSA-N	307.394	1.215	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@@H]1[C@H]2CCCO[C@H]21	862290264	RTLLAMAWIVIMBS-MGPQQGTHSA-N	304.346	1.711	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2cscn2)c1	103062999	PTSGTILLYWTMRU-UHFFFAOYSA-N	305.359	1.600	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1cccc(OCC(=O)N(C)C)c1	55008162	HIVVHIWVUHXUMZ-ZRDIBKRKSA-N	317.345	1.536	50	20	DDGD	
CN(C)CC(=O)NNC(=O)CCCOc1ccc(Cl)cc1	113427865	BJVYOTXAKUPVTF-UHFFFAOYSA-N	313.785	1.208	50	20	DDGD	
O=C(NCCOc1cccnc1)NNC(=O)c1ccccc1	114516624	JSYABBLMZWBIEI-UHFFFAOYSA-N	300.318	1.105	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2C[C@]23CCCc2ccccc23)cn1	173688533	OXNWGTZZEIRNEM-YJBOKZPZSA-N	324.384	1.475	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H](C)C(C)(C)CN(C)C)n1	119640987	DRTVCERBHZOWHE-NSHDSACASA-N	324.429	1.396	50	20	DDGD	
CS[C@@H](C(=O)NNC(=O)c1cnn(C)c1)c1ccccc1	172408509	XTXLZOFOIGKQHF-GFCCVEGCSA-N	304.375	1.285	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2cnc(Cl)cn2)c1	178144471	BAYYEQGEGUKGCL-UHFFFAOYSA-N	320.736	1.278	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2nc(Cl)ccc2Cl)cn1	117683656	OHFYSONGKWDJMQ-UHFFFAOYSA-N	314.132	1.197	50	20	DDGD	
C[C@H]1CCC[C@@H](C)N(C(=O)NNC(=O)Cc2cccnc2)C1	176393507	IOCFPBFIRJGVSJ-QWHCGFSZSA-N	304.394	1.875	50	20	DDGD	
Cc1nnc(NNC(=O)CCCOc2ccccc2)nc1O	23310119	RMZJBJHAZGZGJP-UHFFFAOYSA-N	303.322	1.188	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)NCCCCC#N)c1	171450299	IDQMDAOOMZPMMJ-UHFFFAOYSA-N	318.377	1.707	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc([S@@](C)=O)cc2)nc(C)n1	173834244	HGNQJPDIWOWUJA-OAQYLSRUSA-N	304.375	1.588	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(F)c(Br)c1	174425571	YZROPGYQRAGZOS-UHFFFAOYSA-N	306.091	1.981	50	20	DDGD	
CC(=O)NC1CCC(C(=O)NNc2nccnc2C(C)C)CC1	1346954759	RSLINFQBKRWWPS-UHFFFAOYSA-N	319.409	1.738	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(F)c(F)c(F)c1	124807260	KOKPXVQORHTJFV-ZCFIWIBFSA-N	317.267	1.236	50	20	DDGD	
C=C[C@@H](CC(=O)NNC(=O)C(=O)N1CCCC1)c1ccccc1	122633955	ALYHFICNJADNQF-ZDUSSCGKSA-N	315.373	1.116	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1ccc(OC(F)F)cc1)C(C)C	121783066	BJRAWNFPJBBVCR-LBPRGKRZSA-N	315.320	1.892	50	20	DDGD	
CN(NC(=O)c1ccc(NC(=O)c2cccs2)cc1)C(N)=O	181081525	UQJOWCLKINGNQW-UHFFFAOYSA-N	318.358	1.656	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccc(N3CC=CC3)cc2)nn1	127994106	LLPWOLLVKJHSHJ-UHFFFAOYSA-N	324.388	1.988	50	20	DDGD	
CCCOc1ccc(CCC(=O)NNC(=O)NC2CC2)cc1	79759774	NOUBBNMWZRRFQF-UHFFFAOYSA-N	305.378	1.901	50	20	DDGD	
Cc1ccc(-n2ncc(C(=O)NNC(=O)CO)c2C(C)C)cc1	182763983	RKZNGIHSVASJHZ-UHFFFAOYSA-N	316.361	1.057	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2nc(-c3ccncc3)no2)cc1O	188415074	PLLLRWMZFMYLTP-UHFFFAOYSA-N	322.284	1.466	50	20	DDGD	
CCN1CCC[C@H]1CNC(=O)NNC(=O)Cc1ccc(F)cc1	74493709	NSOVUZZGPNAGSC-AWEZNQCLSA-N	322.384	1.183	50	20	DDGD	
COc1nccnc1NNC(=O)Cc1c[nH]c2c(C)cccc12	132092602	JUAVWBXQFAVQLG-UHFFFAOYSA-N	311.345	1.961	50	20	DDGD	
Cc1c([N+](=O)[O-])cc(C(=O)NNc2ncccn2)cc1[N+](=O)[O-]	45075440	BTNUBZRGILMGEH-UHFFFAOYSA-N	318.249	1.358	50	20	DDGD	
CC(C)(C)C(=O)NCCC(=O)NNC(=O)c1ccccc1F	42658162	VEFCIWDRJIHSQC-UHFFFAOYSA-N	309.341	1.139	50	20	DDGD	
COc1ccnc(NNC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)n1	46365145	JNYFWSCFJWXSEZ-ZACCUICWSA-N	304.350	1.324	50	20	DDGD	
C=CCc1cc(/C=C(\C#N)S(=O)(=O)N(C)C)cc(OC)c1O	195319911	QTRCLVDMIZJMFA-MDWZMJQESA-N	322.386	1.885	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C[C@H]2CC[C@H](C)C2)c1O	132048810	VRCDOUQSWHSQKB-QWRGUYRKSA-N	306.362	1.988	50	20	DDGD	
COCc1cccc(C(=O)NNC(=O)c2ccc(C)cc2O)c1	80387834	YGUSPOVVXABTSS-UHFFFAOYSA-N	314.341	1.922	50	20	DDGD	
CCN(CC)[C@H](CNC(=O)NNc1ncccn1)CC(C)C	45538401	LOTFCJYGVONFEE-ZDUSSCGKSA-N	308.430	1.859	50	20	DDGD	
NC(=O)[C@@H]1CC[C@@H](C(=O)NNc2cccc3c2CCCC3)O1	193639496	WYWABMVUZHKIDD-KBPBESRZSA-N	303.362	1.041	50	20	DDGD	
CN(C)C1(CNC(=O)NNC(=O)OC(C)(C)C)CCCCC1	43109596	PQRLQPAXJLCXHZ-UHFFFAOYSA-N	314.430	1.990	50	20	DDGD	
COC(=O)NNC(=O)[C@H]1Cc2cc(Br)ccc2O1	194926245	FCHUEWVMNDYHFF-SECBINFHSA-N	315.123	1.140	50	20	DDGD	
CN(C)c1ccccc1NC(=O)NNc1nc2ccccn2n1	192010882	AUCLAVAVUTXANN-UHFFFAOYSA-N	311.349	1.944	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)C(=O)N1CCCC1	245732046	RZISVXJDTRRJLU-HZSPNIEDSA-N	321.421	1.363	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)n1	268563413	SUYYMIRMDKQDEC-MXWKQRLJSA-N	307.354	1.069	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NNc2cccnn2)C1	265495954	XXTVEBKZVMCJCY-JTQLQIEISA-N	322.369	1.112	50	20	DDGD	
CC[C@H](OC)C(=O)NNC(=O)c1cccc(Br)c1	266306565	FVWATHSRDDQQJR-JTQLQIEISA-N	315.167	1.635	50	20	DDGD	
CC[C@@H]1CN(C(=O)NNC(=O)COCc2ccccc2)CCO1	265664056	BTMLFKURIIMAEV-CQSZACIVSA-N	321.377	1.055	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNC(=O)c1ccccc1C	269696170	KULISCVRLMIQHH-UHFFFAOYSA-N	307.350	1.282	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNc1ccc(Cl)nc1	266528939	MDGIAVXCRPSFDQ-LLVKDONJSA-N	310.785	1.969	50	20	DDGD	
Cc1c(CC(=O)N2CC=C(C#N)CC2)nnn1-c1ccccc1	272637627	CRSZKOZBEVYFPS-UHFFFAOYSA-N	307.357	1.801	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1cccc(Br)n1	276034664	DZZZFBNSCYXQRY-UHFFFAOYSA-N	313.155	1.797	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc(OCC(=O)O)cc1	276345961	SWMRBTIPVPRKLO-JYRVWZFOSA-N	309.343	1.839	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@H]2C[C@]23CCOC3)n1	363801691	LIGFGOBHMOUQBQ-ABAIWWIYSA-N	305.382	1.193	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)nc1	275607103	QGHPRKTYINFPSL-ZUZCIYMTSA-N	315.329	1.762	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2CCCO[C@@H]2CC(C)C)n1	275047129	UQRAMYBLXLDXFX-NWDGAFQWSA-N	323.397	1.705	50	20	DDGD	
CNS(=O)(=O)[C@H]1CCN(CCO[Si](C)(C)C(C)(C)C)C1	367300207	MFBMRVCRLQIQMW-LBPRGKRZSA-N	322.547	1.632	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cc(C2CC2)cnc1Cl	279591758	CPQPCTUHYIJFND-UHFFFAOYSA-N	324.768	1.299	50	20	DDGD	
C=C[C@](C)(CC)C(=O)NNC(=O)CNC(=O)c1cccs1	276161184	QDNSJTJHUVIQSO-CQSZACIVSA-N	309.391	1.228	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)C(C)(C)O)cc1	277950031	LJNAAPZQTWYAIU-UHFFFAOYSA-N	307.394	1.060	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2[C@H]3CCC[C@H]2CC3)n1	378028885	GUIBGVXFEJXOGP-RYUDHWBXSA-N	322.434	1.158	50	20	DDGD	
C[C@@H]1OCC[C@@]12CN(S(=O)(=O)CCCCCl)CCO2	373677885	BKXZZUCTHQDPKO-NWDGAFQWSA-N	311.831	1.215	50	20	DDGD	
CCC(=O)CNC(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C	274573518	YDYFIGOJAJNISU-OQLLNIDSSA-N	317.389	1.754	50	20	DDGD	
O=C(NCc1ccc2c(n1)CCCC2)NNC(=O)C1CCC1	278447618	XFXBZBUUWBOKPI-UHFFFAOYSA-N	302.378	1.591	50	20	DDGD	
CSSCCNC(=O)C[C@@H](NC(N)=O)c1cccs1	284034133	JXHHRGTYOQBSSN-MRVPVSSYSA-N	319.477	1.975	50	20	DDGD	
Cc1cccc(CCCNC(=O)NNC(=O)c2ccc[nH]2)n1	288364065	ISONHWSOCCHUBB-UHFFFAOYSA-N	301.350	1.295	50	20	DDGD	
COc1cc(F)ccc1NC(=O)C(=O)NCCSSC	285312718	RBBUSZRDDJOAFM-UHFFFAOYSA-N	318.395	1.900	50	20	DDGD	
C[C@H](CNC(=O)OC(C)(C)C)C(=O)NNc1ncccc1F	285969010	MDCRVSAYQIGRSB-SECBINFHSA-N	312.345	1.825	50	20	DDGD	
C[S@](=O)C1(CNC(=O)NNc2ccccc2Cl)CC1	281981220	OUDKIPNVVNTAIT-IBGZPJMESA-N	301.799	1.877	50	20	DDGD	
CCOC(=O)NCCC(=O)OC[C@@]1(C)C[C@@H]1Br	1263537506	SDNOPWIZISWIHZ-GZMMTYOYSA-N	308.172	1.839	50	20	DDGD	
CC(C)NC(=O)/C(C#N)=C/c1ccccc1OCC(=O)N(C)C	299208433	GUHOWVZLTCWKGQ-NTEUORMPSA-N	315.373	1.585	50	20	DDGD	
O=C(CCc1ncc[nH]1)NNC(=O)c1ccc(Cl)cc1F	806994286	BNGQTVQSNDKQNP-UHFFFAOYSA-N	310.716	1.596	50	20	DDGD	
Cn1cncc1CCC(=O)NNC(=O)c1ccc(Cl)cc1O	802750132	XRWHNUOXDHJKHD-UHFFFAOYSA-N	322.752	1.173	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2oc(C(C)C)nc2C)n1	293335027	XACPJFWHDVYWGI-UHFFFAOYSA-N	302.334	1.885	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H](c2ccccc2)N(C)C)O1	294044828	YPNWFXVOWWADOB-FPMFFAJLSA-N	305.378	1.004	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2cccc(O)n2)c1	801600611	HMGQGKDBYJPVIM-UHFFFAOYSA-N	315.329	1.244	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNC(=O)c1cc2ccccc2o1	807011673	GRXKJIHXZPHMPG-UHFFFAOYSA-N	311.297	1.415	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNc1nc(C(F)(F)F)cs1	807036674	CGYRQFWPLQPKAO-UHFFFAOYSA-N	318.280	1.826	50	20	DDGD	
CC(=O)c1ccc(CC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	293794218	CHBRXTIFPKBCNB-HZMBPMFUSA-N	304.346	1.147	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cccc([N+](=O)[O-])c1Cl	809914845	KKBGJBFMZZQSBV-UHFFFAOYSA-N	316.701	1.437	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H](C)OCCc2ccccc2)n1	294522187	WNLNOLZKHYOAAY-GFCCVEGCSA-N	316.361	1.576	50	20	DDGD	
CCn1ncnc1COC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	801220422	DAKVJVYAQWZZCU-WLRTZDKTSA-N	324.344	1.467	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1ccc(C(=O)NC2CC2)cc1	804769424	GOUKPQPXFODEAM-UHFFFAOYSA-N	314.320	1.870	50	20	DDGD	
O=C(NNc1ncncc1F)c1cc(Cl)c2c(c1)OCO2	817082791	LUPJKHATVNBZBR-UHFFFAOYSA-N	310.672	1.755	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNc1nc(O)c2ccccc2n1	812533684	IQMPQCOFVKZBLN-UWVGGRQHSA-N	304.350	1.697	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCSC1)c1ccc(Cl)cc1O	810177091	JPFAEEZGTORWGZ-MRVPVSSYSA-N	314.794	1.950	50	20	DDGD	
O=C(NNc1ccccc1Cl)N[C@H]1CCc2nnnn2CC1	817806122	WURFHUIJNQIHNW-VIFPVBQESA-N	321.772	1.358	50	20	DDGD	
CC[C@H]1CCCC[C@H]1OCC(=O)NNC(=O)c1ccnnc1	817693327	MVSJMRJXRHIOSE-WCQYABFASA-N	306.366	1.223	50	20	DDGD	
N#Cc1cc(C(=O)NNc2cnccn2)cnc1C(F)(F)F	816173857	XMUFKEQHTXUQLX-UHFFFAOYSA-N	308.223	1.519	50	20	DDGD	
C[C@@H]1C[C@H]1c1ccc(CCC(=O)NNC(=O)c2ccnnc2)o1	817692574	UDYQWORXVSBTAO-ZWNOBZJWSA-N	314.345	1.587	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)CCN(CC)CC)[C@]12CCCO2	819804884	KRYNOCVUPABABU-GDBMZVCRSA-N	311.426	1.549	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)c2cc3c(s2)CCC3)n1C	811633060	JDPBQUBIVHDFCP-UHFFFAOYSA-N	317.418	1.800	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2nnc3ccccc3n2)c(O)c1	810172203	CHDHCZUBMLUCOW-UHFFFAOYSA-N	323.312	1.114	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1ccc(OCC(N)=O)cc1	816628298	PDJATKPONDMWKX-UHFFFAOYSA-N	305.161	1.426	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@H](CO)c1ccc(Cl)cc1	813720694	WIMZCXSXYIYEEC-KXXVWKPMSA-N	308.765	1.976	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1c[nH]nc1-c1cc2ccccc2o1	823935373	QOKBPOIZROPDFD-JTQLQIEISA-N	314.345	1.780	50	20	DDGD	
O=C(CCCC(=O)C1CC1)NNC(=O)c1ccc2c(c1)OCO2	822192686	XDSBIRBMRQCSNR-UHFFFAOYSA-N	318.329	1.326	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](O)c1ccc(C(F)(F)F)cc1	821783341	HFMIQSJCGXYAIU-SNVBAGLBSA-N	319.283	1.431	50	20	DDGD	
CCn1cc(NC(=S)NNC(=O)c2ccc(C)cc2O)cn1	726127529	HQUMKSXLBZVEDT-UHFFFAOYSA-N	319.390	1.548	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1	823977426	WSEFPDYHHBRPPF-SNVBAGLBSA-N	309.366	1.850	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1csc(N)n1	494537392	BIWKBBOYCCXWMI-UHFFFAOYSA-N	313.383	1.090	50	20	DDGD	
CCCC1(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1	821028068	SNEQRADKWQMTAW-UHFFFAOYSA-N	314.349	1.208	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC)cc1OCC(=O)O	490662477	BHCWGCDBHGVXOG-KPKJPENVSA-N	316.313	1.368	50	20	DDGD	
CCN(CCO)NC(=O)c1cccc(Oc2nccs2)c1	823860390	QUESIOFOVBXJTC-UHFFFAOYSA-N	307.375	1.894	50	20	DDGD	
CC(C)(C)OC(=O)N(CC(=O)NNC(=O)CC1CC1)C1CC1	497271979	MSHTWVICOSACNZ-UHFFFAOYSA-N	311.382	1.333	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)/C(C#N)=C\c1cnn(C)c1	491044894	DGFSISLPLUMDAW-YJXOCKSBSA-N	300.362	1.424	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C\c1cccc(-n2cccn2)c1	490724833	BNWHZSVUYMJNFM-GRRFOWRYSA-N	310.357	1.930	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)[C@H]1CCC[C@@H](C)C1	826939993	DHVFBUCQFQGWEW-BJJPWKGXSA-N	311.426	1.957	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cc(-c3nn[nH]n3)cs2)cc1	826385787	AJHQTFSMNOEQDF-UHFFFAOYSA-N	311.330	1.557	50	20	DDGD	
C#CCCOc1ccc(C(=O)NNC(=O)NC2CCCC2)cc1	822833773	LOOGDIZBUFPHOK-UHFFFAOYSA-N	315.373	1.975	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)/C(C#N)=C\c1ccc(O)cc1	491103777	LUMISRVNCSNLFF-PVBRJXJSSA-N	313.357	1.330	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2ccc(O)c([N+](=O)[O-])c2)n1	725857296	HEUOCGNZDPROCI-UHFFFAOYSA-N	320.330	1.758	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H](C)Cc1ccccc1F	825752907	DUCJFCAPBPJXGM-NTZNESFSSA-N	323.368	1.512	50	20	DDGD	
C[C@H](C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1CC1	824040304	OBMHVRYAVBTLHN-LURJTMIESA-N	307.745	1.404	50	20	DDGD	
CCN(CCO)NC(=O)c1ccccc1[S@@](=O)C(F)(F)F	823376540	HEADIAYYPJQLKK-OAQYLSRUSA-N	324.324	1.273	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C1(C)CCOCC1	726767311	OMAHVRYIZOTWHE-NSHDSACASA-N	324.352	1.557	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@H](C)Cc1cnc[nH]1	822731914	REJFTXYZGMWRTA-SECBINFHSA-N	320.324	1.657	50	20	DDGD	
CCOc1cccc2c1CC[C@@H]2NCc1ccccc1B(O)O	585023975	PBGPMQNMQZXLAW-KRWDZBQOSA-N	311.190	1.542	50	20	DDGD	
CCN(CCO)NC(=O)c1ncsc1Nc1ccccc1	823884652	DALXJYSUHJCUEP-UHFFFAOYSA-N	306.391	1.846	50	20	DDGD	
CNC(=O)NN=C(C)C[C@H]1COCCN1C(=O)OC(C)(C)C	495411044	AUADVFUOSOMYRG-NSHDSACASA-N	314.386	1.317	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(COc2ccccc2OC)o1	495409454	YOMRZKNETYFMTM-UHFFFAOYSA-N	320.301	1.868	50	20	DDGD	
COc1cccc(NNC(=O)c2cnc(NC3CC3)s2)n1	907258886	RGUSWMACTAYFNM-UHFFFAOYSA-N	305.363	1.878	50	20	DDGD	
CCN(CCO)NC(=O)c1cccnc1Nc1ccccc1F	823842053	OQOAUQZSDBFCPI-UHFFFAOYSA-N	318.352	1.923	50	20	DDGD	
CC(=NNC(=O)Cn1c(C)nc2ccccc21)c1cnccn1	734744964	LPYDFSGXFXBCQW-UHFFFAOYSA-N	308.345	1.675	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1CCC2(CCCCCC2)C1	584961004	PUAGDVGRZIHATD-UHFFFAOYSA-N	319.185	1.692	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(OC)cc1OC	823148867	VNZHSKJHZOIUSZ-OLZOCXBDSA-N	320.345	1.056	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1c(Cl)nc2ccccn12	588615751	COYAAMFSCWKUAP-CLFYSBASSA-N	310.766	1.744	50	20	DDGD	
Cc1ccc2cc(S(=O)(=O)N3CC[C@H](B(O)O)C3)ccc2c1	585056271	MHFVVWNRHLEWJS-AWEZNQCLSA-N	319.191	1.386	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCC[S@](C)=O)c1C	735050772	BVCSZRUPVMZPGP-DTSIOAQHSA-N	321.446	1.917	50	20	DDGD	
C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(B(O)O)cc1	584960174	ICVZDRDRUNOZAH-GUYCJALGSA-N	309.174	1.385	50	20	DDGD	
CC(=O)NCC1CCN(C(=O)[C@]2(C)C[C@H]2Br)CC1	906396004	GJXGSZICJGKCOO-DGCLKSJQSA-N	317.227	1.535	50	20	DDGD	
COCCC1(CNC(=O)c2ccc(B(O)O)cc2)CCCCC1	584976638	KHGOWYZPRUAZPR-UHFFFAOYSA-N	319.210	1.083	50	20	DDGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](CC(=O)O)C1	833061676	FIMBSVZRPJDCBO-MCOWIHPBSA-N	317.301	1.635	50	20	DDGD	
CCOCC(=O)NNC(=S)Nc1ccc(OC(F)F)cc1	731160874	HOPUBELZXMOBNA-UHFFFAOYSA-N	319.333	1.642	50	20	DDGD	
COC(=O)C[C@H](C)S[C@H](C)C(=O)NNC(=O)CC(C)C	734983372	STCHIQOHCRJZJS-VHSXEESVSA-N	304.412	1.253	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNC(=O)Nc1ccc(OC)cc1	838774510	MELVTYGGOGDCHD-OLZOCXBDSA-N	322.365	1.598	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)Nc1nc2n(n1)CCCC2	836775647	ZOUVLMUMZKDUGA-UHFFFAOYSA-N	318.312	1.220	50	20	DDGD	
CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1S(=O)(=O)CCl	830509864	PACBJZNKDWJJCE-RKDXNWHRSA-N	314.860	1.048	50	20	DDGD	
Cc1nn(C(C)C)c(C)c1C=NNC(=O)CN1CCCC1=O	901153819	JQZQOPSMXDQNCZ-UHFFFAOYSA-N	305.382	1.153	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc2c(c1)OCCO2	831041540	DWEOPUFJLWEHQR-MWLCHTKSSA-N	321.333	1.036	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@@]2(CC=CCC2)C1	584947402	OWBVYXREWKLDPM-KRWDZBQOSA-N	317.169	1.468	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccnc(NC2CCC2)c1	901238687	DCMQSVRPMFFTPW-UHFFFAOYSA-N	302.313	1.732	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cc(F)c(F)c(F)c1	831486830	ZITTYIGONFMKNS-XPUUQOCRSA-N	317.267	1.682	50	20	DDGD	
CCOC(=O)c1nc(NC(=O)[C@]2(C)C[C@@H]2Br)c[nH]1	907714854	LHIJCUBFMBFGET-UPONEAKYSA-N	316.155	1.698	50	20	DDGD	
CC(C)[C@@H](CNCc1ccc(B(O)O)o1)Cc1ccccc1	585036946	PCTFTNDZXRLMKV-OAHLLOKOSA-N	301.195	1.564	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc(NC(N)=O)cc2)n1	837302392	QRRKLDKJWYBIBC-UHFFFAOYSA-N	300.322	1.341	50	20	DDGD	
CCCc1csc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n1	831616774	OTBMRNWTHZLLCO-WCBMZHEXSA-N	312.395	1.673	50	20	DDGD	
O=C(COCc1ccccc1)NN=C1COc2cc(O)ccc21	737436795	IITAXQIHSUPLAE-UHFFFAOYSA-N	312.325	1.822	50	20	DDGD	
CO[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(C)o2)C12CCC2	838770465	XBXJOCGRXHSJOK-NEPJUHHUSA-N	307.350	1.490	50	20	DDGD	
CC(C)C#CC(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	830806588	POCISVFLPLWONE-UHFFFAOYSA-N	316.329	1.785	50	20	DDGD	
CC(=NNC(=O)c1cccn1C)c1ccccc1OCC(=O)O	833385458	ZDHNQXYGIMJSFK-UHFFFAOYSA-N	315.329	1.643	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1C[C@H](C)C[C@H]1C	839494452	LRHAJFRDLYUIOS-TZMCWYRMSA-N	303.406	1.415	50	20	DDGD	
CCC(C)(C)OCC(=O)NNC(=O)c1ccc(OC)c(OC)c1	837308989	VXMVZYLYXWENTE-UHFFFAOYSA-N	324.377	1.670	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(N(C)C)cc(C(F)(F)F)c1	910139574	BDVLWOVEOKULAR-SECBINFHSA-N	319.327	1.729	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NNc1cccc(Br)n1	837210519	QSNXDDNHNNNCKQ-HTQZYQBOSA-N	300.156	1.712	50	20	DDGD	
CCCNC(=S)NNC(=O)[C@H](C)CN1CCC(C)CC1	916118054	ZIXSMIVQICJPOG-GFCCVEGCSA-N	300.472	1.260	50	20	DDGD	
C/C(=C/C(=O)OCC(=O)NNC(=O)c1ccccc1)C(C)(C)C	745598796	ZHFVYKVLBWPUET-BENRWUELSA-N	318.373	1.983	50	20	DDGD	
Cc1cc(O)cc2c1C(=O)C(=NNC(=O)[C@H]1CCO[C@H]1C)O2	842554015	HYZFFJIOKSCCIO-WPRPVWTQSA-N	304.302	1.130	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@H]1CC12CCCC2	747296000	VERSMOYNAHCZDG-BXUZGUMPSA-N	316.357	1.554	50	20	DDGD	
COc1cccc(NNC(=O)NCCc2ncc(C)cc2C)n1	848665366	VFYINSVXSNFRIP-UHFFFAOYSA-N	315.377	1.971	50	20	DDGD	
Cc1cnc(Cl)c(C(=O)NNC(=O)OCC(F)(F)F)c1	912597522	UVPYPWXYZYKZRZ-UHFFFAOYSA-N	311.647	1.977	50	20	DDGD	
C[C@H]1CCCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC1	744397585	QHGOMKBNECMSTH-ZDUSSCGKSA-N	314.389	1.441	50	20	DDGD	
CCC(CC)[C@@H](C(=O)NNC(=O)C1CCC1)N1CCOCC1	742071662	GUALPYVWVOPWDP-AWEZNQCLSA-N	311.426	1.071	50	20	DDGD	
CC1=C(C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)C(=O)OC1(C)C	842243441	CQENVZIMLSOLTD-UHFFFAOYSA-N	323.280	1.829	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2CCN(CC(F)F)C2)n1	841595204	QNKWEDDQBNVSCU-SNVBAGLBSA-N	314.340	1.059	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)cc1	747064179	WQEXLZPBORMQMB-UBHSHLNASA-N	314.414	1.856	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H](C(=O)O)C(C)C)c1	848589067	FJGBXFGNZGKOSB-GFCCVEGCSA-N	323.349	1.456	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@@H]1CCN(CC(F)F)C1	841593652	CZTDRHNTXRYIIO-SSDOTTSWSA-N	320.731	1.096	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNc1ncc(Br)cn1	848322122	QRIOUFXMGWZQRR-XPUUQOCRSA-N	301.144	1.107	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2cnn(-c3cccnc3)c2)c1	748048300	QPMPQEHTUBGKNV-UHFFFAOYSA-N	304.313	1.896	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNc1ncccc1C(F)(F)F	846635865	YXKBZSQTWWEQBI-UHFFFAOYSA-N	318.299	1.706	50	20	DDGD	
C[C@H](c1ccccc1)[C@](C)(O)C(=O)NNC(=O)c1ccccn1	747348456	LMGMMMKPGOAONQ-PXAZEXFGSA-N	313.357	1.397	50	20	DDGD	
CNc1nc(C)ccc1C(=O)NNC(=S)N[C@H](C)C1CC1	912160732	ODLAVNIMSSIKLU-SECBINFHSA-N	307.423	1.339	50	20	DDGD	
CCC(CC)(CO)C(=O)NNC(=O)c1cccc2cccnc12	847409050	PROLBTNFXXUKRC-UHFFFAOYSA-N	315.373	1.795	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(-c2c[nH]c3ccccc23)[nH]n1	911445431	VHEYDMXTQIKBJO-SNVBAGLBSA-N	313.361	1.515	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)C(C)(C)c1ccccc1)n1ccnc1	844379547	UJTZYDYFHXPYNP-ZDUSSCGKSA-N	314.389	1.959	50	20	DDGD	
CO[C@@H](C(=O)NNc1ccnc(N(C)C)n1)c1ccccc1	740102787	FLAJMAKPGBJVCR-CYBMUJFWSA-N	301.350	1.373	50	20	DDGD	
COC1([C@H](C)NC(=O)NNC(=O)c2ccccc2C)CCC1	840453676	QQLRIUPDBSQFIY-LBPRGKRZSA-N	305.378	1.897	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CCCNC(=O)C(C)(C)C	849210704	KPDVNGVULILPDC-UHFFFAOYSA-N	316.471	1.223	50	20	DDGD	
CC(=NNC(=O)c1ccncc1)c1ccc([S@@](C)=O)cc1	746368012	SSCSSYVLEIVHPF-OAQYLSRUSA-N	301.371	1.973	50	20	DDGD	
COc1cccc(O[C@H](C)CNC(=O)NNC(=O)C(C)C)c1	743674367	VYBSHBLHYRIVRM-LLVKDONJSA-N	309.366	1.449	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@]1(C)CCc2ccccc21	843660664	VMKLANHZLQFDQF-BNLOLNQZSA-N	302.374	1.463	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2	921042673	JOSFAZNNRUPZJZ-MRVPVSSYSA-N	322.390	1.473	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NN=Cc2cc(C)n(C)n2)c1	841606231	BXDBXDWUZOHERF-UHFFFAOYSA-N	300.362	1.874	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@H]1CCCCN1S(C)(=O)=O	848080106	CXFLLORESHUFAJ-MRVPVSSYSA-N	317.238	1.063	50	20	DDGD	
C[C@@H](Cc1ccncc1)NC(=O)NNc1ccc(Cl)nn1	749618812	DPYSOYCCHXYUSZ-VIFPVBQESA-N	306.757	1.782	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc2ccccc2n1	741462370	DPPLXQFCXFHUTP-UHFFFAOYSA-N	312.373	1.990	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)COc1ccccc1OC	921201900	RNRBBUFWIZGDIO-GFCCVEGCSA-N	322.361	1.203	50	20	DDGD	
CCc1ocnc1C(=O)NNc1ccc(CC(=O)OC)cc1	846374670	VQHCKMZGHZYTSL-UHFFFAOYSA-N	303.318	1.709	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)c1ncoc1C1CC1	848322759	MYXYLFJEBSKXPT-UHFFFAOYSA-N	324.138	1.861	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1=Cc2cc(F)ccc2OC1	843662237	QAEVJOWJBKESBB-RNCFNFMXSA-N	320.320	1.174	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CCOC1	841625757	LNSKPMNQBYNKAS-RNCFNFMXSA-N	323.305	1.068	50	20	DDGD	
CC(=O)N(C)CC(=O)NNC(=S)Nc1cccc(C)c1C	920806106	YNEXIXKKFOTCBZ-UHFFFAOYSA-N	308.407	1.099	50	20	DDGD	
CCCN1CC[C@H](CNC(=O)NNC(=O)c2cc(C)cs2)C1	858282236	VBSDLXNNRIZOKU-GFCCVEGCSA-N	324.450	1.732	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=Cc1cc(F)cc(F)c1	755774754	UXQPMRYPNYGIJI-UHFFFAOYSA-N	318.283	1.240	50	20	DDGD	
Cc1cnc([C@H](C)NC(=O)NNC(=O)CC(F)(F)F)s1	750660416	FDSNJZOQIJKCIT-LURJTMIESA-N	310.301	1.795	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CCCN(CCc2ccccc2)C1	854410448	ZZFYXXYJMPJIDD-HNNXBMFYSA-N	319.405	1.671	50	20	DDGD	
BrC[C@H](CN1CCOC[C@@]12CCOC2)C1CC1	859294493	UKTUEIPKSJXUMI-OLZOCXBDSA-N	304.228	1.899	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)NCC2CC2)o1	751372026	QNKMNSGPGMFDNQ-UHFFFAOYSA-N	308.382	1.475	50	20	DDGD	
C[C@]1(CNC(=O)N2[C@H]3CC[C@H]2CNC3)C[C@@H]1Br	857105666	PHKICUDTPZRIKY-QFOLPQNPSA-N	302.216	1.306	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=S)N[C@@H](C)C2CC2)cs1	855097077	IWFIEUJXXKQFLM-ZETCQYMHSA-N	311.432	1.858	50	20	DDGD	
CO[C@@H]1COCC[C@@H]1CNC(=O)NNc1cc(F)ccc1F	922697996	WNWWVIAVOSBNAU-NOZJJQNGSA-N	315.320	1.642	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C1C[C@H](C)C[C@@H](C)C1	854283943	QNXOGGVMKHHWGJ-VXGBXAGGSA-N	315.483	1.933	50	20	DDGD	
Cc1cc([C@H](C)NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(C)s1	858133549	SLBVCQDRYNNJDP-KWQFWETISA-N	324.406	1.035	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C(=O)c1ccc(Cl)s1	757874045	MTZXNZRGBHCNHN-UHFFFAOYSA-N	311.750	1.384	50	20	DDGD	
COc1ccc(C(=O)NC[C@@]2(C)C[C@H]2Br)nn1	857399176	VDLUKJCWYDRFPZ-LDYMZIIASA-N	300.156	1.389	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCS[C@H](C)CC2)c1	755200403	VAASZFJULBEKEN-CYBMUJFWSA-N	321.446	1.583	50	20	DDGD	
CCCNC(=O)NN=Cc1cc(Cl)cc([N+](=O)[O-])c1O	920989228	IAGRPKWWEXWXKG-UHFFFAOYSA-N	300.702	1.997	50	20	DDGD	
C[C@]1(CNC(=O)N[C@H]2CCCNCC2)C[C@@H]1Br	857103656	LZIHFDHNXPXECB-JBLDHEPKSA-N	304.232	1.601	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1coc(-c2cccnc2)n1	854162638	QGWYZDVJDZIBSH-UHFFFAOYSA-N	304.306	1.906	50	20	DDGD	
C[C@H](NC(=O)C1CCCC1)C(=O)NNc1ccnc(Cl)c1	855469099	STRASEALWBPOPP-VIFPVBQESA-N	310.785	1.873	50	20	DDGD	
CC(=O)NNC(=O)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1	856734727	XAVHKZMIYVAEQQ-GFCCVEGCSA-N	313.398	1.581	50	20	DDGD	
COCC[C@@H](Cc1ccco1)NC(=O)NNC(=O)C1CCCC1	753278035	FVSIEPSUVFFZJV-ZDUSSCGKSA-N	323.393	1.748	50	20	DDGD	
CCn1nccc1C=NNC(=O)c1ccc(OC)c(OC)c1	753693125	PILHXCOZMOAWIN-UHFFFAOYSA-N	302.334	1.684	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cc(OC)ncn1)c1ccccc1	932501314	VEKJIVQYZJOKGV-GFCCVEGCSA-N	314.345	1.440	50	20	DDGD	
C[C@@]1(CNC(=O)NOCC(F)(F)F)C[C@@H]1Br	856844646	WOUJVISVCFXTPM-FSPLSTOPSA-N	305.094	1.953	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1sc([C@@H]2CCOC2)nc1C	867278452	AILOWHFBRCKUNE-SECBINFHSA-N	312.395	1.262	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCCN2CCCC2)c1	864391897	GFTMCBRQAQPIRL-UHFFFAOYSA-N	310.423	1.486	50	20	DDGD	
C[C@@H]1CN(C(=O)OC(C)(C)C)CC1=NNC(=O)c1cccn1C	863077142	FLFOVNFPFKJQCU-LLVKDONJSA-N	320.393	1.998	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)N1	862461992	NUGQNMGJUDPZNK-YVECIDJPSA-N	307.394	1.019	50	20	DDGD	
Cc1ccccc1[C@@H](C)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	936039187	JWZANXSSXYOGBE-ZIAGYGMSSA-N	324.446	1.591	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cc(Br)cc(F)c1O	864490995	NIEPFDVOLSOAQJ-UHFFFAOYSA-N	319.130	1.711	50	20	DDGD	
CC(C)(C)c1[nH]cnc1C(=O)NNC(=O)c1cccc(F)n1	869313245	FYJOZELIVOCIPL-UHFFFAOYSA-N	305.313	1.316	50	20	DDGD	
CCCN1C[C@H](C(=O)NNC(=O)c2cc(C)cs2)CC1=O	862480046	LQAOTQXHFNJQPE-SNVBAGLBSA-N	309.391	1.076	50	20	DDGD	
Cc1csc(CCC(=O)NNC(=O)c2ccc(C#N)cc2)n1	767777820	BZJPXAKVYTUDFK-UHFFFAOYSA-N	314.370	1.717	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@](C)(NC(C)=O)C(C)C	932430312	ZSNHBCIIANYGIK-MRXNPFEDSA-N	321.377	1.007	50	20	DDGD	
COc1ccc2onc(CC(=O)NN[C@H](C)C(F)(F)F)c2c1	862322286	HINBMKKSITZNRF-SSDOTTSWSA-N	317.267	1.951	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc2cccnc2c1	869879217	ZZLIMRRFHKXBIZ-SNVBAGLBSA-N	315.329	1.338	50	20	DDGD	
COc1cc(C#N)ccc1NC(=O)NNC(=O)c1cccnc1	766240458	AHANQALGMKVTMA-UHFFFAOYSA-N	311.301	1.428	50	20	DDGD	
COc1cc(C#N)ccc1S(=O)(=O)NCC(Cl)Cl	867471017	WFGLVIRLOIAKNI-UHFFFAOYSA-N	309.174	1.649	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(Cl)Cl	867471739	QZPMIPTYSOLPCX-UHFFFAOYSA-N	313.162	1.985	50	20	DDGD	
Cn1ccnc1CNC(=O)NNc1ncnc2ccsc12	765789559	PPAFNGOMAJSYJN-UHFFFAOYSA-N	303.351	1.251	50	20	DDGD	
COc1cc(NC(=O)NC[C@]2(C)C[C@H]2Br)[nH]n1	861380153	TYMFHTFFESCHTM-LDWIPMOCSA-N	303.160	1.713	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCN2C(C)(C)C)cc1O	862994543	VWPKNRDVEWATTF-LBPRGKRZSA-N	305.378	1.334	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNCC(F)(F)C(F)(F)F	863101625	AKNCQKKGNJOPER-LURJTMIESA-N	306.231	1.394	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cnn(C3CC3)c2)cc1	863853573	LZEVUOLNLWIMAN-UHFFFAOYSA-N	313.361	1.400	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNC(=O)c1ccccc1C)C(C)C	873814757	OEKZLOABBTTWRK-ZDUSSCGKSA-N	306.362	1.591	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc2c(c1)cc(C)c(=O)n2C	1119261128	PYIZLKNJPWJBSZ-UHFFFAOYSA-N	318.333	1.582	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNc1ccc(Cl)nn1)C(C)C	878887109	RQJPFPQGFVIRHC-SNVBAGLBSA-N	300.746	1.408	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1cnc(C2CC2)o1	878784404	UHSQBJSZSAYCMO-UHFFFAOYSA-N	303.293	1.695	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CCc1cccc2c1OCO2	770213743	OEHAUZJZOJGANI-UHFFFAOYSA-N	323.418	1.642	50	20	DDGD	
Cc1csc(CCCC(=O)NNC(=O)c2ccccn2)n1	773691292	DFPQWROGWWHPOF-UHFFFAOYSA-N	304.375	1.630	50	20	DDGD	
COc1ccc(CNC(=O)NNc2ccc(Cl)nn2)nc1	775083522	FJAVKIMHUIAJMN-UHFFFAOYSA-N	308.729	1.360	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)C1(Oc2ccccc2)CC1	1118059594	VQKYGNXGASTEMC-UHFFFAOYSA-N	315.329	1.722	50	20	DDGD	
COCC[C@@H](NC(=O)CCCC[C@H]1CCSS1)C(N)=O	775975801	KVWGUEKPCAOWPX-WDEREUQCSA-N	320.480	1.707	50	20	DDGD	
COc1cc(C(=O)NNc2ccc(C(C)(C)C)nn2)sn1	1118767374	UXUSTQGUCPQEIJ-UHFFFAOYSA-N	307.379	1.996	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N[C@H](C(C)(C)C)C(F)(F)F)n[nH]1	775988715	ZASLMAUSIVQYMT-SECBINFHSA-N	321.303	1.639	50	20	DDGD	
CCn1nncc1CNC(=O)NNc1cc(F)cc(Cl)c1	875765699	WOCLTTPTIXNPTG-UHFFFAOYSA-N	312.736	1.917	50	20	DDGD	
CCOC(=O)[C@@](C)(O)CNC(=O)[C@H](Br)C(C)(C)C	774020712	CAPFOMBVDGUHJD-UFBFGSQYSA-N	324.215	1.226	50	20	DDGD	
CCN1CC[C@@H](NC(=O)NNc2cccc(F)c2Cl)C1=O	875567664	KZVGCUSGWZHEBV-SNVBAGLBSA-N	314.748	1.726	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccc3nc[nH]c3n2)cc1	770550209	RAGADIWVYNOKGB-UHFFFAOYSA-N	309.329	1.595	50	20	DDGD	
COC(=O)CCCONC(=O)/C(C#N)=C/c1ccc(F)cc1	888817050	XMHFOXFDVFECDE-FMIVXFBMSA-N	306.293	1.734	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(C(C)(C)C)n[nH]2)cc1O	779540785	UKGWZQUHMQYYBO-UHFFFAOYSA-N	316.361	1.796	50	20	DDGD	
O=C(NC[C@@]12COCCN1C(=O)OC2)C1CCC(Cl)CC1	1123846506	FPKXFFRYMOJDRJ-MGULZYLOSA-N	316.785	1.121	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(F)c2cccnc12	1120750859	QWDUFTWMZKHHRB-NXEZZACHSA-N	317.320	1.560	50	20	DDGD	
CCc1ncncc1C(=O)NNc1cccc(C(=O)OC)c1	780791999	RPSLXDSXAVGVEF-UHFFFAOYSA-N	300.318	1.583	50	20	DDGD	
CC(C)(C)N1CC[C@H](NC(=O)NNc2ccc(C#N)cn2)C1	889330351	WNSMTUVTGOXALW-LBPRGKRZSA-N	302.382	1.452	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)c2cnns2)c1	788258649	FUNPYOGWQYSSFS-UHFFFAOYSA-N	306.351	1.389	50	20	DDGD	
CCN1CCO[C@H](C(=O)NNc2ccc(F)cc2Cl)C1	885136252	YRCZEIPFWAEEKU-LBPRGKRZSA-N	301.749	1.643	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCc2ccc(Cl)cc2)nn1C	787425435	WGUVVUXIWGLWMV-UHFFFAOYSA-N	321.768	1.526	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@@H]1CCC(=O)c2ccccc21	785956738	VSHSQIFGMRIUJD-CYBMUJFWSA-N	301.346	1.487	50	20	DDGD	
Cc1ncc(NC(=O)C(=O)NNc2cc(Cl)ccn2)s1	784856791	VUWAWGOLMUXAQW-UHFFFAOYSA-N	311.754	1.582	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1cncc(N2CCOCC2)c1	781360939	LNQILBKNXXIKNK-UHFFFAOYSA-N	317.324	1.209	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C/c1ccccc1-n1cncn1	786039559	FEWZXEZBINBXIK-MDWZMJQESA-N	302.359	1.957	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccccc1O[C@H]1CCOC1	782589339	OKTHGMJRHAINJF-NSHDSACASA-N	307.350	1.663	50	20	DDGD	
N#CCCNC(=O)NNC(=O)c1cc2c(s1)CCCCC2	787359975	NCYCDWDYHUQEIN-UHFFFAOYSA-N	306.391	1.875	50	20	DDGD	
CCOC[C@H](NC(=O)NNc1ncncc1Cl)C(C)C	789085869	TVPCEDKZEXNPBB-JTQLQIEISA-N	301.778	1.817	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)Cn1cnc2ccccc21	789843530	NGCSBZHJEOOFQZ-UHFFFAOYSA-N	324.340	1.966	50	20	DDGD	
C/C(=C(/F)C(=O)NNC(=O)COc1ccc(C#N)cc1)C1CC1	899940885	ZLMZIXFXBYYNQX-GDNBJRDFSA-N	317.320	1.738	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2conc2C)c(C)c1	895558745	ZUFKIDLOSZZQAT-UHFFFAOYSA-N	302.334	1.473	50	20	DDGD	
O=C(CC1COC1)NNC(=O)c1ccc(Cl)cc1Cl	899964313	OCYRJMUULBMYJG-UHFFFAOYSA-N	303.145	1.791	50	20	DDGD	
COC/C=C\C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	791296969	PFWOEBCBXHDRJM-XURPKSDJSA-N	306.362	1.421	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])C(=O)c1ccc(O)cc1	798168713	NVBXOCDIPWRSOA-UHFFFAOYSA-N	301.258	1.626	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2cn(C)c3ccc(F)cc23)CC1	794859065	HLLBJMRHUNBRFP-UHFFFAOYSA-N	317.368	1.608	50	20	DDGD	
N#CC[C@@H](CC(=O)NNC(=O)NCC1CC1)c1ccccc1	793208220	UTTYJLIMGFVJNZ-AWEZNQCLSA-N	300.362	1.814	50	20	DDGD	
CSSCCNC(=O)NC1CCC(NC(C)=O)CC1	790697016	VKCLXUJMTQFVBC-UHFFFAOYSA-N	305.469	1.744	50	20	DDGD	
N#C/C(=C/c1cc(F)ccc1Br)S(N)(=O)=O	799894194	OXCOUTQKZIZHSM-YWEYNIOJSA-N	305.128	1.741	50	20	DDGD	
COCCOC[C@@H]1CCN(C(=O)NCCSSC)C1	790880444	JMGCKNMQUCCVIT-LLVKDONJSA-N	308.469	1.692	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CO[C@H]2CCCC[C@@H]2C)n1	794088046	VCYGMRKUKAYZBS-FZMZJTMJSA-N	305.378	1.746	50	20	DDGD	
CCSCCCNC(=O)NNC(=O)c1ccc(C#N)cc1	799903543	YGTKSDUXLICMCY-UHFFFAOYSA-N	306.391	1.645	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1	1163322840	AADKKEOBYQZJLN-TVYUQYBPSA-N	314.332	1.735	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1csc(-c2cnccn2)n1	1318264181	VEEVCKPTSFVYJF-UHFFFAOYSA-N	322.419	1.117	50	20	DDGD	
COc1cc(C=NNC(=O)Cn2nc(C)cc2C)ccc1F	1319468462	XZNFFSHOZIUNFZ-UHFFFAOYSA-N	304.325	1.798	50	20	DDGD	
CC1CCN(CCC(=O)NN=C2CN(C3CC3)C[C@@H]2C)CC1	1319562846	ZTSRBGISFYLXGW-AWEZNQCLSA-N	306.454	1.695	50	20	DDGD	
CCNc1nc(C(=O)NNC(=O)c2ccc(OC)cc2)cs1	1319338275	QFIAFCYXVGVIMM-UHFFFAOYSA-N	320.374	1.658	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2occ3c2CCC3)cc1	1321816440	ZOSCDAQHAQXBOZ-UHFFFAOYSA-N	300.314	1.852	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCC(Nc2ccccc2)CC1	1322853145	OVJXRKBICXSEJW-CYBMUJFWSA-N	318.421	1.509	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)c1ccccc1Cl	1326743360	AKRZVVMPOMRBTH-JMJZKYOTSA-N	306.749	1.716	50	20	DDGD	
C[C@H](Oc1ccccn1)C(=O)NNc1nncc(N)c1Cl	1329037100	MHXQRKLVOKSCHB-ZETCQYMHSA-N	308.729	1.018	50	20	DDGD	
COC(=O)N1CCCN(C(=O)[C@@]2(C)C[C@H]2Br)CC1	1339357958	NUDYBLFIUDLUHP-SKDRFNHKSA-N	319.199	1.461	50	20	DDGD	
C[C@]1(COC(=O)CCCS(C)(=O)=O)C[C@H]1Br	1263537557	TXUXWOFGARDRCL-PSASIEDQSA-N	313.213	1.528	50	20	DDGD	
Nc1ccnc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c1	1346087071	SSZZPQPWIYFIKL-UHFFFAOYSA-N	314.389	1.641	50	20	DDGD	
C[C@@H]1C(=NNC(=O)c2n[nH]c3c2CCCC3)CC[C@H]1CC(=O)O	1343881624	ITGDOZSZHXWFLM-UWVGGRQHSA-N	318.377	1.895	50	20	DDGD	
CO[C@@H](CC(=O)NNc1ccccc1C(=O)O)C(F)(F)F	1606669849	JYEQAXGXLDWQQY-VIFPVBQESA-N	306.240	1.795	50	20	DDGD	
Cc1ccc(NNC(=O)Cn2ccc(C(=O)O)n2)cc1Cl	1600461113	DYTARKRQJRHBIJ-UHFFFAOYSA-N	308.725	1.686	50	20	DDGD	
O=C(O)c1coc(C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)c1	1608986882	ZLHOBSVQGYSIRK-UHFFFAOYSA-N	309.209	1.782	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCCC(C)(C)C(=O)O	1605356263	HZLTVRFMHJANRJ-UHFFFAOYSA-N	322.365	1.832	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)C(C)(C)C(=O)O)cc1	1604090955	LHZYQVQMNAJCJE-UHFFFAOYSA-N	324.406	1.181	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@H]2CCc3c[nH]nc3C2)c1F	1608936023	USPVSXZHWQNSFA-MRVPVSSYSA-N	318.308	1.495	50	20	DDGD	
O=C(O)CC1(NC(=O)C2CCC(Cl)CC2)CCOCC1	1608682980	UOFLIBPVTFVALD-UHFFFAOYSA-N	303.786	1.924	50	20	DDGD	
COC(=O)CCCCC(=O)NNc1cccc(C(=O)O)c1F	1610184040	IVGWGTGMXVHNAE-UHFFFAOYSA-N	312.297	1.700	50	20	DDGD	
O=C(O)c1occc1C=NNC(=O)[C@H]1COc2ccccc2O1	1610873431	XBOBPUTYEYMMPH-GFCCVEGCSA-N	316.269	1.268	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2scnc2C2CC2)nc1	1610836047	UQEOEMXTPKYFHO-UHFFFAOYSA-N	304.331	1.871	50	20	DDGD	
CO[C@H]1CN[C@@](C)(C(=O)NNc2ncccc2C(F)(F)F)C1	1578947381	CMKVBBGRKBBVLU-PRHODGIISA-N	318.299	1.311	50	20	DDGD	
Cn1cc([C@@H]2CN(C(=O)C3CCC(Cl)CC3)C[C@H]2N)cn1	1579967889	COVLNZPQBARUEY-AKUTZHFWSA-N	310.829	1.471	50	20	DDGD	
O=C(NNc1ccc(F)cc1Br)[C@@]1(F)CCNC1	1574333684	HTIPLFOGXCCNDQ-LLVKDONJSA-N	320.137	1.733	50	20	DDGD	
COC(=O)[C@@H](N)CCC(=O)NNc1ccc(F)c(Cl)c1	1573928223	STSKBXRZVISSNQ-JTQLQIEISA-N	303.721	1.203	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@]23CCC[C@@H]2NCC3)c1	1579767465	BWFLOCIWOIBSLD-XJKSGUPXSA-N	318.446	1.845	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NC1(C(=O)O)CC(CO)C1	1589699166	LMISVDOZLVDBJS-XIGTVVQJSA-N	322.199	1.138	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNc2ccc(C(=O)O)cn2)c(F)c1	1589277295	LNVJTNAXFVSLOT-UHFFFAOYSA-N	317.276	1.878	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)c1cnnn1C1CCNCC1	1580739605	KCLUQQGQMQMDRE-UHFFFAOYSA-N	321.772	1.008	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1ccc2c(c1)COC2	1593163396	SMUQAFFUDIBCKD-UHFFFAOYSA-N	323.316	1.049	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@H]1[C@@H]2CCCO[C@H]21	1599376576	VQQXHYZXRZCQOM-ZWKOPEQDSA-N	306.318	1.262	50	20	DDGD	
Cc1cc(=NNC(=O)c2ccc(-c3nn[nH]n3)cc2C)cc[nH]1	1592054026	LPMGOEMJCSALFT-UHFFFAOYSA-N	309.333	1.057	50	20	DDGD	
COc1ccc(CNC[C@H]2[C@@H](Cl)[C@@H]2C)cc1-c1nn[nH]n1	1591598502	VPLXNIUEXHCMKU-DYLAAIIWSA-N	307.785	1.838	50	20	DDGD	
COc1cccc(NNC(=O)/C=C\c2ccc(C(=O)O)o2)n1	1594131877	SPVOSOQPQWRTND-VURMDHGXSA-N	303.274	1.538	50	20	DDGD	
Cc1[nH]c2ccc(Cl)cc2c1C=NNC(=O)NCC(=O)O	1599966085	GACGSGIGTATIJQ-UHFFFAOYSA-N	308.725	1.847	50	20	DDGD	
CC(C)(CC(=O)O)CC(=O)NNC(=O)NCc1ccccc1	1590635572	YYTOMXVNRXOWTK-UHFFFAOYSA-N	307.350	1.408	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cc2ncccc2o1	1593162081	IERCYSODJHVNDW-UHFFFAOYSA-N	321.300	1.765	50	20	DDGD	
COCCCS(=O)(=O)/C(C#N)=C\c1cc(C(=O)O)cs1	1777207103	QYVDLXCJHYXGOY-WDZFZDKYSA-N	315.372	1.762	50	20	DDGD	
CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cl)CC)C2	1795109658	WLKJONVPSNAQKR-NOHGZBONSA-N	302.802	1.003	50	20	DDGD	
CCCOc1cccc(CC(=O)NNC(=O)c2cccn2C)c1	161260301	VJSVDTJDMHZPRP-UHFFFAOYSA-N	315.373	1.818	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(c2nc(C)cs2)CC1	158938426	SGSLLXCWPXQOBS-XFXZXTDPSA-N	306.391	1.544	50	20	DDGD	
C[C@@H]1CCC[C@@H](C)N1CC(=O)NNC(=O)c1cccc(C#N)c1	165751720	PKWFAHGKIDKTIH-CHWSQXEVSA-N	314.389	1.582	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)c2ccc(Cl)s2)[nH]n1	153102813	PFIWSDZCXSLYEB-ZETCQYMHSA-N	312.782	1.998	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@@]1(O)CCSC1	153828083	UIKUMUYMCNPBOK-CYBMUJFWSA-N	306.347	1.048	50	20	DDGD	
O=S(=O)(NC[C@H](O)C(F)(F)F)c1ccc(CCl)cc1	311395401	SEOQVLMMPAZYIF-VIFPVBQESA-N	317.716	1.627	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)COc2ccc(F)cc2F)n1	24743617	ZXNSGTRGVRXTLM-UHFFFAOYSA-N	308.288	1.894	50	20	DDGD	
C[C@@H](Oc1cccnc1)C(=O)NNC(=O)c1cccc(Cl)c1	172031232	WOQNGEGMTDRVCD-SNVBAGLBSA-N	319.748	1.964	50	20	DDGD	
CCO[C@H](C)C(=O)NNC(=O)c1cccc(OC(F)F)c1	103041390	VKVPPRZAWFNGHG-MRVPVSSYSA-N	302.277	1.474	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2cc1O)c1cnns1	50170340	RYEOXAAXLLHPAJ-UHFFFAOYSA-N	314.326	1.472	50	20	DDGD	
CCCNC(=O)NNC(=O)Cc1ccccc1OC(F)F	118321078	YXZGIPZYQJLRNQ-UHFFFAOYSA-N	301.293	1.571	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccn(C)c(=O)c1)c1ccccc1	110344182	OHHVBLKSPAZQRA-CQSZACIVSA-N	313.357	1.340	50	20	DDGD	
COc1cc(CNC(=O)NNc2cccnn2)c2ccccc2n1	173912719	KYOSJUOPKOAJSI-UHFFFAOYSA-N	324.344	1.860	50	20	DDGD	
COCCCNC(=O)NNC(=O)/C=C/c1cc(C)c(C)cc1C	65205354	AFYRESKVNXUNHX-VOTSOKGWSA-N	319.405	1.992	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2cccn2C)c1	69095671	BNYFMSDHKIEEPX-UHFFFAOYSA-N	301.346	1.482	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)s1	119476378	IHWAWPWVLAWZRZ-NWDGAFQWSA-N	323.418	1.958	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)CCCc2ccccc2)CCO1	69340863	ZXJSAPOFPIWBLT-UHFFFAOYSA-N	319.405	1.861	50	20	DDGD	
COc1ccc(C)c2c1N(CC(=O)NNC(=O)C1CC1)CCC2	112979814	QXJRJELLCYPPFU-UHFFFAOYSA-N	317.389	1.314	50	20	DDGD	
C[C@H](CNC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br)C1CC1	1347941302	PHSRXRGDMGSOLG-DFAYQTQMSA-N	317.227	1.438	50	20	DDGD	
CCCC[C@@H](CCC)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	175985615	QKRSXLPBVYHCAU-OCCSQVGLSA-N	319.471	1.726	50	20	DDGD	
CS[C@H](C(=O)NNC(=O)c1cccnc1)c1ccccc1	172491091	LDMBGPVODDSBHC-ZDUSSCGKSA-N	301.371	1.947	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNC(=O)COc1ccc(C#N)cc1	68516517	AUZVIQHGOCAGDO-GFCCVEGCSA-N	319.361	1.290	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)c2ccccc2)c1C	181985133	DJWBILSDKVSXFI-UHFFFAOYSA-N	311.341	1.703	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(C)n(-c2nccs2)c1C	120120118	MVLBCCJLOIQFBU-UHFFFAOYSA-N	308.363	1.942	50	20	DDGD	
Cc1ccc(F)c(OCC(=O)NNC(=O)Cc2ccncc2)c1	124303257	JBXWKJUXVHKWMW-UHFFFAOYSA-N	317.320	1.298	50	20	DDGD	
CCc1onc(C)c1NC(=O)C(=O)NNC(=O)CC1CCCC1	125881785	SFOGGIOWRZIENE-UHFFFAOYSA-N	322.365	1.212	50	20	DDGD	
O=C(CCCn1cncn1)NNC(=O)c1cccc2ccccc12	122254007	FMHBNFUBNKWIFH-UHFFFAOYSA-N	323.356	1.673	50	20	DDGD	
CO[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ccccc1F	75099985	SMTKMYDCNZPXTE-STQMWFEESA-N	309.341	1.727	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@@H]1CC(=O)N(C2CCCC2)C1	182491108	KQWOGWYZYBVOMY-SNVBAGLBSA-N	306.341	1.455	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)c1cccn1C	186387501	RSLHXFKSDBCGBE-UHFFFAOYSA-N	317.305	1.708	50	20	DDGD	
Cc1ccc(Cl)c(S(=O)(=O)NNC(=O)NC(C)C)c1	124229117	PRBWDIUMWDOJGD-UHFFFAOYSA-N	305.787	1.549	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCCCO[C@H]1CCOC1	185536259	FWBZZLHJNOEFTO-LBPRGKRZSA-N	311.357	1.956	50	20	DDGD	
CC(C)C[C@H]1COCCN1C(=O)NNC(=O)Cc1cccnc1	73057859	PMAKFTIOTVCCLR-AWEZNQCLSA-N	320.393	1.112	50	20	DDGD	
Cc1cc(/C=C(/C#N)C(=O)NCC#N)c(C)n1C[C@@H]1CCCO1	126781990	XRVDRPTVWSIZIM-TYWAAFNRSA-N	312.373	1.831	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c1	132724171	UPUBKEJEUOJOPB-HNNXBMFYSA-N	307.309	1.323	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNC(=O)CCc1ccccc1	132423916	YIOOXAICDRWIFI-ZDUSSCGKSA-N	308.378	1.208	50	20	DDGD	
CCCc1cnc(NC(=O)NNC(=O)c2cccnc2)s1	184061937	IEZOVKLZJBZIDY-UHFFFAOYSA-N	305.363	1.957	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H](C)c1c(C)n[nH]c1C	132679753	GSDQFVLFMKNFNK-VIFPVBQESA-N	316.361	1.600	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2c(F)cccc2F)n1	87434535	MNPMGKUKLNTWIX-UHFFFAOYSA-N	308.288	1.758	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C1(C#N)CCC1	134490247	OQFQMMYSKCDAOY-SNVBAGLBSA-N	305.309	1.434	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)C(=O)c1ccccc1	194520654	GPUVLWLSVIPFKS-UHFFFAOYSA-N	310.235	1.821	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCC(C)(C)N1CCCCC1	49786415	FIWKREVQVJRWPC-UHFFFAOYSA-N	314.430	1.990	50	20	DDGD	
C[C@@H](OC1CCCCCC1)C(=O)NNc1ncnc2nc[nH]c12	133547452	JYEUPAIPNUCLCH-SNVBAGLBSA-N	318.381	1.924	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCSc1ccc(Cl)cc1	190048204	UUICLPAFSNANQL-UHFFFAOYSA-N	316.810	1.741	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNc1cccnc1Cl	85684032	UQGMQVICELGHMH-UHFFFAOYSA-N	300.746	1.703	50	20	DDGD	
NC1CCN(S(=O)(=O)c2ccc(CCCCl)cc2)CC1	237876633	APVFMONMBUDVAJ-UHFFFAOYSA-N	316.854	1.970	50	20	DDGD	
Cc1cnn(-c2ccc(C(=O)NNC(=O)c3ccc[nH]3)cc2)c1	97405915	LCXZWUSSZSFTOW-UHFFFAOYSA-N	309.329	1.584	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)N[C@@H]2CCC[C@H]2C)cc1	264466238	ZXJNBLZWLSPPBT-BXUZGUMPSA-N	321.377	1.593	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)C(C1CC1)C1CC1	269979126	OLOYMVAMRIVBFL-UHFFFAOYSA-N	306.337	1.788	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NC2CC2)c(=O)oc2ccccc12	267490408	VQEQXZWPUGDVQW-UHFFFAOYSA-N	301.302	1.208	50	20	DDGD	
O=C(NCCN1CCc2ccccc2C1)NNC(=O)C1CCC1	264739763	OSNOHFCUXLPOJN-UHFFFAOYSA-N	316.405	1.175	50	20	DDGD	
Cc1noc(-c2ccccc2C(=O)NNC(=O)C2CCC2)n1	266097382	KBBPHBRJKQYOII-UHFFFAOYSA-N	300.318	1.606	50	20	DDGD	
CN(CCNC(=O)NNC(=O)C(C)(C)c1ccccc1)C1CC1	264812399	GMKBWEBJZNSQOY-UHFFFAOYSA-N	318.421	1.389	50	20	DDGD	
O=C(CNC(=O)C1CCCCC1)NNc1nccnc1Cl	265109851	AGFBODZCZYEFBM-UHFFFAOYSA-N	311.773	1.270	50	20	DDGD	
O=C(NCC1CCSCC1)NNc1cncc(Cl)n1	264992117	HHEZJRDWGDAWSX-UHFFFAOYSA-N	301.803	1.899	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc2c(c1)N(C)C(=O)CO2	273536848	XLTCLDADALVSIS-UHFFFAOYSA-N	320.349	1.241	50	20	DDGD	
COc1ccc(C)cc1CCNS(=O)(=O)CBr	271387193	LIBGNPNYNSNIEW-UHFFFAOYSA-N	322.224	1.818	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2nccn2C1)c1cc2ccccc2o1	370391642	SKLIZSYNMJUQNG-GFCCVEGCSA-N	324.340	1.653	50	20	DDGD	
O=C(CN1[C@H]2C=CC[C@H]1CC2)NNC(=O)c1ccccc1Cl	370950390	MFSADJYDMONLAP-RYUDHWBXSA-N	319.792	1.894	50	20	DDGD	
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NNC(=O)C1CC1	273235907	SLYHMBKNVDOWCM-UHFFFAOYSA-N	316.361	1.906	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2CC2)nc1Br	272920489	AUUJEKJNSJMAOC-UHFFFAOYSA-N	314.139	1.024	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CC(C)(C)OC(C)(C)C2)n1	279721220	UQRLQWPBECTJQM-UHFFFAOYSA-N	320.393	1.634	50	20	DDGD	
CCS(=O)(=O)CC(=O)NNc1cc(Cl)cc(Cl)c1	276720087	ALKWZBXGNWVBJP-UHFFFAOYSA-N	311.190	1.871	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H]1CCc2[nH]ncc2C1	288391905	AHZQPNIMQGRJRU-JTQLQIEISA-N	315.333	1.875	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccccc1Oc1cnn(C)c1	283407258	BTAIUSUPQVCKPX-UHFFFAOYSA-N	317.349	1.519	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNc1nccnc1C1CCC1	286850176	AZUZZJRGKLWIFJ-UHFFFAOYSA-N	305.382	1.350	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)CNc2ccccc2OC)CC1	281824813	DTSUJCVHGXPQCC-UHFFFAOYSA-N	321.377	1.071	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2O[C@H](C)C[C@H]2C)cc1	282100800	HMQWNYHMLGECOP-LALPHHSUSA-N	305.378	1.368	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H](C)C(F)(F)F)cc1	288915545	UDVZFIUTFXFWDQ-VIFPVBQESA-N	319.283	1.655	50	20	DDGD	
C=CCc1cc(C(=O)NN(C)CCOC)cc(OC)c1OC	288591518	SLDAAMHIMAOHKZ-UHFFFAOYSA-N	308.378	1.655	50	20	DDGD	
COc1cccc(NNC(=O)[C@@](C)(O)CCc2ccccc2)n1	283811295	RRGUISHJBWNQGU-KRWDZBQOSA-N	315.373	1.917	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNc1nc(-c2ccccc2)no1	282484752	HIPWRPJMQQXUAU-HOSYDEDBSA-N	302.334	1.993	50	20	DDGD	
CCc1noc(NC(=O)NNC(=O)c2cccc(N(C)C)c2)n1	296795445	PBKGFQQLQCBDRA-UHFFFAOYSA-N	318.337	1.165	50	20	DDGD	
CCc1cnc(CNC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)s1	297984409	OPDCUOJVQWBETQ-WPRPVWTQSA-N	312.395	1.103	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)COc1cc(C)ccc1C)C1CC1	290973163	PAWDSRBBXMURCY-KRWDZBQOSA-N	320.389	1.645	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)N=c2cc[nH]cc2)c1C	802027080	QEKBCAGMNAJASR-UHFFFAOYSA-N	316.365	1.275	50	20	DDGD	
Cc1nn(CC(=O)NNC(=O)CC2CC2)cc1-c1ccccc1	294230314	RLMNXZSRVJZWAB-UHFFFAOYSA-N	312.373	1.806	50	20	DDGD	
N[C@H]1CCCC[C@H]1CC(=O)NNc1nc(-c2cccnc2)no1	295574078	AXDYYIPXPHUDNV-JQWIXIFHSA-N	316.365	1.482	50	20	DDGD	
CO[C@](C)(C(=O)NNc1nc2ccccc2c(=O)n1C)C1CC1	291763772	UYDHKKZHBXUICU-INIZCTEOSA-N	316.361	1.192	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1cccnc1	299569124	GPCBNUOMSMOBTP-UHFFFAOYSA-N	322.365	1.148	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@H]1CC(c2cccnc2)=NO1	808245883	HSAODFZXGGBVOZ-SNVBAGLBSA-N	302.161	1.837	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@H](C)NC2CC2)c1C	294704718	GYUDDUFJTTYFLT-STQMWFEESA-N	319.405	1.359	50	20	DDGD	
O=C(Cn1cc(Cl)cn1)NNc1nc(-c2ccncc2)no1	806741151	QPYYELCWBZFOLX-UHFFFAOYSA-N	319.712	1.125	50	20	DDGD	
N[C@H]1CCCC[C@@H]1CC(=O)NNc1nc(-c2cccnc2)no1	295574082	AXDYYIPXPHUDNV-PWSUYJOCSA-N	316.365	1.482	50	20	DDGD	
Cc1ccc(CC(=O)NNc2ccc3c(=O)[nH]ccc3c2)cn1	803427965	LZDLUFAONFRIRR-UHFFFAOYSA-N	308.341	1.917	50	20	DDGD	
CCC(CC)n1ncc(C(=O)NNC(=O)[C@H]2CCCCO2)c1C	295618376	RJRVFHUZGXMSCQ-CQSZACIVSA-N	322.409	1.883	50	20	DDGD	
COC(=O)NNC(=O)[C@@H](C)c1cccc(Br)c1	291039090	YAZJTPXABPGYGU-ZETCQYMHSA-N	301.140	1.940	50	20	DDGD	
O=C(CN1CCCCCCC1=O)NNc1ncc(F)cc1F	297065871	WOEDBFYMLIXQKE-UHFFFAOYSA-N	312.320	1.596	50	20	DDGD	
O=C(Cc1n[nH]c2c1CCCC2)NNc1nccnc1Cl	806864371	BNVMAOGKOIFWLV-UHFFFAOYSA-N	306.757	1.418	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1cc(C)n(C2CCCCC2)n1	290770905	KZUWOQRMQJUOTQ-UHFFFAOYSA-N	323.353	1.022	50	20	DDGD	
CC[C@H](Cc1ccccc1)C(=O)NNC(=O)N1CCN(C)CC1	807380923	VTNMESDTLVUVPO-OAHLLOKOSA-N	318.421	1.244	50	20	DDGD	
O=C(COCc1ccccn1)NNc1cnnc2ccccc12	806857014	MRXGOALAEVPWKI-UHFFFAOYSA-N	309.329	1.685	50	20	DDGD	
CCc1nc(C)c(CNC(=O)NNc2cncc(Cl)n2)o1	293890919	ZDTOAAKBFAMTEN-UHFFFAOYSA-N	310.745	1.815	50	20	DDGD	
COc1ccnc(NNC(=O)C2CC(O)(CCC(C)(C)C)C2)n1	294252447	GBEWOVILVMJENF-UHFFFAOYSA-N	322.409	1.896	50	20	DDGD	
Cn1nc(NC(=O)C(=O)NNc2ccccc2F)cc1C1CC1	810390014	QGKSDDFONSNCKB-UHFFFAOYSA-N	317.324	1.518	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1cnc([C@@H]2CCCO2)s1	814957905	TYUJAUMUXGYYDC-NSHDSACASA-N	305.363	1.411	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)Cc2csc(C)n2)[C@]12CCCO2	819805912	GXPIUHOVNPNVBZ-UKRRQHHQSA-N	323.418	1.824	50	20	DDGD	
CCOc1ccc(NNC(=O)C[C@H]2C=CS(=O)(=O)C2)cc1	817879967	VDAHJWLYVWJTIT-LLVKDONJSA-N	310.375	1.477	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ncc(C#N)cc1C	815542620	MYMBEBICCQNMGB-UHFFFAOYSA-N	310.313	1.345	50	20	DDGD	
N#Cc1ccsc1NC(=O)C(=O)NNc1c(F)cccc1F	815574223	IWMMSWQBEURSKU-UHFFFAOYSA-N	322.296	1.980	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Cc1ccc(-n2cnnc2)cc1	819875797	IIPZSQRINUTJCA-UHFFFAOYSA-N	315.377	1.393	50	20	DDGD	
C[C@H](NC(=O)C1CCCCC1)C(=O)NNc1ncncc1F	817077097	FGISSLATXFTBQE-VIFPVBQESA-N	309.345	1.144	50	20	DDGD	
CCCC(=O)N1CCC[C@H](C(=O)NNc2ncncc2F)C1	817080755	CVSJNWFUAJDKER-JTQLQIEISA-N	309.345	1.098	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)Cc2cn3ccccc3n2)CC1(F)F	817435171	DWQJZYWGLFECMJ-ZDUSSCGKSA-N	308.288	1.070	50	20	DDGD	
C=CCC(F)(F)C(=O)NNc1ccccc1S(C)(=O)=O	815827529	DGVFGMXTSJMXOI-UHFFFAOYSA-N	304.318	1.745	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1C[C@@H](CO)c2ccccc21	814679595	SZIKUPJLARNMSR-OLZOCXBDSA-N	319.405	1.165	50	20	DDGD	
Cc1ccoc1CNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	813844002	KTLGFEKGDWXUBO-UHFFFAOYSA-N	318.289	1.640	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(Cl)ncc1Br	495847654	CUBBFVWQXVRVQA-UHFFFAOYSA-N	322.546	1.841	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)COc1cc(C)ccc1C	491714885	ODGLYRAHPZHZJA-UHFFFAOYSA-N	310.357	1.662	50	20	DDGD	
CC(=NNC(=O)c1ccc[nH]1)c1ccc(-c2nn[nH]n2)s1	823948643	SUWYRPSAWXYLJH-UHFFFAOYSA-N	301.335	1.410	50	20	DDGD	
C[C@@H]1CCC[C@]1(C)C(=O)NNC(=O)CNC(=O)c1cccs1	822970948	YTEQDUCFPNAIDT-BMIGLBTASA-N	323.418	1.452	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)C1CCSCC1	826446355	IPPDVELOFUTHRC-UHFFFAOYSA-N	304.379	1.453	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc(C(N)=O)c(Cl)n1	496920887	NBKGUKUYPJDIRF-UHFFFAOYSA-N	314.729	1.003	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C)C(=O)NCCc1ccccc1	490970221	GKORAZPGAJIVAZ-MLJWKTOOSA-N	315.373	1.294	50	20	DDGD	
CC(C)[C@H]1CN(C(=O)/C(C#N)=C\c2cnn(C)c2)CCS1	491102243	HHCAKUIJXQVTKD-CNTYAEFGSA-N	304.419	1.927	50	20	DDGD	
C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CC=C(C#N)CC1	824047067	WOLPNTJLSYIJDB-NSHDSACASA-N	323.360	1.349	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NNC(=O)C(C)C	496145487	FVNWRRMDEYWZRA-NSHDSACASA-N	315.414	1.825	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C[C@@H]2CC[C@H]3C[C@H]23)nc1C	827945677	ZGZCTVHWCMNIKH-SRVKXCTJSA-N	318.377	1.841	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)/C=C\c2cccc(O)c2)c1	493125606	YCXGEMYGZJKUFG-FPLPWBNLSA-N	307.309	1.738	50	20	DDGD	
O=C([C@@H]1CCC[C@H]1Cc1ccccc1)N1CC[C@H](B(O)O)C1	585066964	OOOLQDOMLIOHBV-HRCADAONSA-N	301.195	1.721	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NOCC2CCC2)cc1	824032263	GIXRDORZQPLKDY-UHFFFAOYSA-N	321.377	1.690	50	20	DDGD	
O=C(/C=C/C1CC1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	826399680	CFOOEGOWVAUOHN-ONEGZZNKSA-N	305.729	1.324	50	20	DDGD	
CN(C(=O)/C(C#N)=C/c1cnn(C)c1)[C@H](CO)CC(C)(C)C	491104252	NGLIRXPQDSZFSW-BLXFFLACSA-N	304.394	1.583	50	20	DDGD	
CC(C)[C@@H]1CC[C@@H](C)CCN1C(=O)c1ccc(B(O)O)c(F)c1	584947865	DEAFIWSBNRWEFF-WBMJQRKESA-N	321.201	1.792	50	20	DDGD	
Cc1ccc(-n2ncc(C(=O)NNC(=O)c3ccc[nH]3)c2C)cc1	826916336	FHUQPAWWJGZVKE-UHFFFAOYSA-N	323.356	1.892	50	20	DDGD	
CC[C@H](NC(=S)NNC(=O)c1cnccn1)c1cccs1	734373588	IKUYFCUUDWGELB-VIFPVBQESA-N	321.431	1.798	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc2c(O)ncnc2c1	900001726	UKOWKKFEJACVNS-UHFFFAOYSA-N	319.390	1.243	50	20	DDGD	
CCn1nc(C2CC2)cc1C(=O)NNc1ccc(OC)cn1	907591418	YIUDNGBWWPLMMT-UHFFFAOYSA-N	301.350	1.941	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNC(=O)NCc2ccco2)cc1	491308683	YJBVSOQNIJWQTN-TWGQIWQCSA-N	315.329	1.832	50	20	DDGD	
O=C(C[C@H]1NC(=O)c2ccccc21)NNC(=O)NC1CCCC1	900413501	URNVZKIPHNHKQN-CYBMUJFWSA-N	316.361	1.134	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccnc(C3CC3)n2)c1	732639231	MDHGQULMVMCEPX-UHFFFAOYSA-N	307.313	1.300	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@](C)(CC(=O)OC)c1ccccn1	491132487	NLDKPIBTBNUTBW-YUQCYMQKSA-N	317.345	1.420	50	20	DDGD	
CCOC(=O)[C@@H]1CCN(C(=O)[C@@]2(C)C[C@H]2Br)C1	834863628	YFNYTNIJKUEKTB-LNLATYFQSA-N	304.184	1.572	50	20	DDGD	
CCCCC(COC)=NNC(=O)CNC(=O)c1cccs1	737435821	ZRRHPWJVSNQNGN-UHFFFAOYSA-N	311.407	1.787	50	20	DDGD	
C[C@H](NCc1ccccc1B(O)O)c1ccc(OC(F)F)cc1	585014767	CVRGKQPYAMLJNV-NSHDSACASA-N	321.132	1.819	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1ccc(Br)cc1	833384843	NTDGCJLOQGWXGH-UHFFFAOYSA-N	314.139	1.557	50	20	DDGD	
C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2cc(B(O)O)ccc2F)o1	584932009	MPRQDYOAMYIKOY-BXKDBHETSA-N	317.125	1.152	50	20	DDGD	
CO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)COc1ccc(C)cc1	838673474	VCTPTNHWINXWBA-ZIAGYGMSSA-N	321.377	1.272	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NC[C@@]1(C)CCC(=O)N1	837223125	JURCBGGSQMXJBB-JOYOIKCWSA-N	305.216	1.581	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H]2CCC[C@H](C(=O)O)C2)cc1	737255287	AGPRWNSMKIKSMY-KBPBESRZSA-N	318.373	1.901	50	20	DDGD	
CN(C(=O)CNC(=O)NNc1ccc(F)cn1)C1CCCCC1	749112049	SJPJZPIBHYQXCM-UHFFFAOYSA-N	323.372	1.638	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)CNc1cccc(OC)c1	749761171	ZVHBSWMMSZOTSV-JTQLQIEISA-N	310.423	1.401	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCOc2ccccc2C1	744389351	QEDHJQUIWIIEJT-UHFFFAOYSA-N	305.378	1.075	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@@H]2C[C@H]2C2CCC2)cc1	846628163	OLFJCZAEZZFMCC-LSDHHAIUSA-N	317.389	1.691	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Cc1ccc2c(c1)OC(F)(F)O2	845148445	NNCZVXUKDNBRQN-UHFFFAOYSA-N	314.288	1.744	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNc1ncc(Br)cn1	848321738	BXDFNRSKHDTDAU-CBAPKCEASA-N	317.187	1.743	50	20	DDGD	
CN1C[C@@H]2CCCN(C(=O)[C@]3(C)C[C@H]3Br)[C@@H]2C1	911301980	GFRCHLVYHJXGOH-SBFPOUOMSA-N	301.228	1.713	50	20	DDGD	
CC1=C(C(=O)NNc2cc(O)nc3ncccc23)CCCO1	913991929	JSNNKXKDWMZWGP-UHFFFAOYSA-N	300.318	1.863	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCCN1CCCC1=O	846463486	IHKZFXNVYWDLSC-SNVBAGLBSA-N	305.216	1.535	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H](C)Cc1ccc(F)cc1	843648642	RKGHJXNCDOVZLC-UHIISALHSA-N	308.353	1.577	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(F)c(F)c1F	843651756	FLAYXCKICGOOLD-RQJHMYQMSA-N	302.252	1.290	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1cc(F)ccc1F	915953245	SUBGQDRUVYKVRX-LLVKDONJSA-N	311.332	1.383	50	20	DDGD	
CC(C)c1ccc(OCC(=O)NNC(=O)c2ncccn2)cc1	841353473	BTPDXNUWNBCTJS-UHFFFAOYSA-N	314.345	1.440	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CC2(O)CCCC2)cc1OC	746092624	ZXUNQLUQDUSATL-UHFFFAOYSA-N	322.361	1.160	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)CC(F)(F)F)n[nH]2)o1	918704340	ZSFQOUBEPPPSMM-UHFFFAOYSA-N	316.239	1.692	50	20	DDGD	
O=C(NNC(=O)c1cc2c(nc1O)CCC2)c1ccccc1O	916148277	RMQAXMQVJRXIFF-UHFFFAOYSA-N	313.313	1.056	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCCc2cc(C#N)ccc21	846926917	PSENHHFUQUNCSR-UHFFFAOYSA-N	314.389	1.504	50	20	DDGD	
O=C(NNc1ncccc1C(F)(F)F)c1ccc2nncn2c1	740090959	CANOQPPEEFFEJN-UHFFFAOYSA-N	322.250	1.900	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NC[C@H]1CCCCN1	841920914	JNPPDQKTPBLBNP-CQSZACIVSA-N	304.394	1.010	50	20	DDGD	
COc1nccnc1NNC(=O)CCCc1nc(C)cs1	840572767	XUCTXDVNENOKSY-UHFFFAOYSA-N	307.379	1.716	50	20	DDGD	
CC(C)O[C@H]1CCCN(C(=O)/C(C#N)=C\c2cnn(C)c2)C1	846364010	UCCODQFRNBCXLK-GSHXUFRSSA-N	302.378	1.743	50	20	DDGD	
CCc1nc(C=NNC(=O)[C@@H]2CCO[C@H]2C)c2ccccn12	842561187	JGOJFZSXJNPRTF-NWDGAFQWSA-N	300.362	1.772	50	20	DDGD	
Cc1ccc(NNC(=O)NCCC(C)(C)S(C)(=O)=O)nc1	841590786	QXLGGXROOOMTRI-UHFFFAOYSA-N	314.411	1.229	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1ccc(C(=O)O)cc1Cl	842559417	CDSFWRUTMHMQGN-GZMMTYOYSA-N	310.737	1.913	50	20	DDGD	
O=C(NNC(=O)[C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1ccc[nH]1	845106719	KJAWQJPJZMJELZ-DTWKUNHWSA-N	319.283	1.523	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C2(C)CCOCC2)cc1	846372503	TUFCICFFCONATN-UHFFFAOYSA-N	306.362	1.662	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@H]2CSc3ccccc32)n1	740102915	RCVBZEJGYIXTNE-NSHDSACASA-N	315.402	1.875	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@@H]1CCCN2CCCC[C@@H]12	847441719	BXFOJJPGZFKNKA-MNOVXSKESA-N	324.816	1.773	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccccc1OCCOC	929940268	MUHWOHIAKKVSTE-UHFFFAOYSA-N	319.361	1.668	50	20	DDGD	
C[C@H](Cc1cnc[nH]1)C(=O)NNC(=O)CCOc1ccccc1	847406177	GOYJCLAJDOXGOY-GFCCVEGCSA-N	316.361	1.205	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@H](C)CCN(C)C)cc1	844932082	CAXJKAPBBDLPJL-GFCCVEGCSA-N	322.409	1.368	50	20	DDGD	
COC(C)(C)CNC(=O)NNc1ccc([N+](=O)[O-])cc1F	853793093	OQTBUCMAPBEWMP-UHFFFAOYSA-N	300.290	1.785	50	20	DDGD	
CCc1cnc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)s1	853390619	GGJPTVRODUVSPC-PWSUYJOCSA-N	308.407	1.019	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cc(C(F)(F)F)n[nH]1)C1CC1	855097368	ORVJITCGYQBWAU-RXMQYKEDSA-N	321.328	1.336	50	20	DDGD	
CCNC(=O)NN=Cc1c(Cl)cccc1N1CCOCC1	920825296	RAFIRIDETGIRRN-UHFFFAOYSA-N	310.785	1.830	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)N[C@H]1CC[C@H](O)CC1	753725189	YQJKNSGQUQXRMJ-HAQNSBGRSA-N	309.341	1.002	50	20	DDGD	
COC[C@H](C)C=NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C	853375797	CWCQVQGUHLZTRG-YRGRVCCFSA-N	308.382	1.272	50	20	DDGD	
Cc1ncsc1C(=O)NNc1nc(O)c2ccccc2n1	758300364	VWSYLPLFJOUURM-UHFFFAOYSA-N	301.331	1.857	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)Cc1ccc(F)cc1)n1ccnc1	920812910	AUJNXJVHATVKAN-LLVKDONJSA-N	304.325	1.363	50	20	DDGD	
N#CSCCCNC(=O)c1cc(F)cc(N2CCOCC2)c1	854366501	AUQCXRNSJOWOON-UHFFFAOYSA-N	323.393	1.996	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1ccc(Cl)cn1	856093407	UMTLOTKAEVFXRP-UHFFFAOYSA-N	300.746	1.704	50	20	DDGD	
CCc1nnc(NC(=O)NNC(=O)c2ccccc2F)s1	755404197	CBMBEWZXHZEEDP-UHFFFAOYSA-N	309.326	1.706	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)c1ccc2c(c1)OCCO2)C1CC1	858218138	IAJYEUULAUJPBK-CQSZACIVSA-N	320.345	1.034	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cccc([N+](=O)[O-])c1O	855090565	HWULOZMGYBKWSQ-UHFFFAOYSA-N	324.362	1.209	50	20	DDGD	
CCOC(=O)COc1cccc(NC(=O)NNC(=O)CC)c1	755655710	LGQCOMXGXIRYKT-UHFFFAOYSA-N	309.322	1.191	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)C2CCCC2)C[C@H]1Br	856850897	DVULNZSDULGRPO-BXKDBHETSA-N	318.215	1.681	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cc3c(cc2C)OCO3)n[nH]1	757979356	RABGUDXOQVFCSJ-UHFFFAOYSA-N	317.305	1.222	50	20	DDGD	
CCC[C@@H](CNC(=O)NNC(=O)c1ccc(C#N)cc1)OCC	858164457	YESDOTYMKGJRRL-AWEZNQCLSA-N	318.377	1.707	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2cc(O)n(C)n2)cc1C	854574953	UQVCCSCBOHABFR-UHFFFAOYSA-N	318.333	1.368	50	20	DDGD	
Cc1n[nH]cc1CCCNC(=O)NNc1ncc(Cl)cn1	856718145	IHAPKBNREQGUGF-UHFFFAOYSA-N	309.761	1.420	50	20	DDGD	
CC(=O)NNC(=O)c1cnn(-c2ccccn2)c1C(F)(F)F	920430593	SNMKNFUTHGSAGV-UHFFFAOYSA-N	313.239	1.067	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cc(C)c(C)nn2)c(O)c1	756583387	NMKYRXYVSNHPEQ-UHFFFAOYSA-N	315.333	1.574	50	20	DDGD	
C[C@]1(CNC(=O)COC[C@H]2CCCO2)C[C@@H]1Br	857400970	KCXBHBPZMGEIIY-JFGNBEQYSA-N	306.200	1.472	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)NCCn1cccc1	753049796	PENGAKRHARCGDE-UHFFFAOYSA-N	320.324	1.037	50	20	DDGD	
CO[C@H](C=NNC(=O)c1nn(-c2ccccc2)cc1O)C1CC1	853276904	JFEHNLIGMCNECW-CQSZACIVSA-N	314.345	1.719	50	20	DDGD	
Cc1ncc2n1C[C@H](C(=O)NNC(=O)OCC(F)(F)F)CC2	856019211	RRRRVMHCSUWQHQ-MRVPVSSYSA-N	320.271	1.074	50	20	DDGD	
Cn1cc([C@@H](CO)NC(=O)/C(C#N)=C\c2ccc(F)cc2)cn1	752673988	NFMZQGQJNHFVNT-NYXMJBRJSA-N	314.320	1.316	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc2cccnc2n1)C1CC1	855095470	MIYAGXYWEXVEBT-SECBINFHSA-N	315.402	1.537	50	20	DDGD	
C[C@@H]1Cc2cc(CNC(=O)NNC(=O)C(C)(C)C)ccc2O1	926450549	OIFJHXUQUOKCDT-SNVBAGLBSA-N	305.378	1.887	50	20	DDGD	
C[C@H]1CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)[C@H]1C	752318728	OTBPQFHLQZNUIQ-RYUDHWBXSA-N	300.362	1.050	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc(CO)c(F)c1)C1CC1	855099601	JPELGOQKZYAUHE-MRVPVSSYSA-N	311.382	1.225	50	20	DDGD	
Cc1cc(C)n([C@H](C)CC(=O)NNC(=O)OCC(F)(F)F)n1	856024797	BCODJNYKQVJPNQ-SECBINFHSA-N	322.287	1.771	50	20	DDGD	
Cn1nc2c(c1C(=O)NNC(=O)OCC(F)(F)F)CCCC2	856022314	YNLZIMNTTRSJSU-UHFFFAOYSA-N	320.271	1.232	50	20	DDGD	
COCc1nc(C)c(C(=O)NNC(=O)c2ccccc2F)s1	758054147	JOTSCWSOCRNAHG-UHFFFAOYSA-N	323.349	1.812	50	20	DDGD	
O=C(NC[C@@H]1CCCNC1=O)NNc1cc(F)cc(Cl)c1	854153553	UOBRVIHWVPUTSJ-QMMMGPOBSA-N	314.748	1.631	50	20	DDGD	
CCNC(=O)CCCC(=O)NNc1cccc(C(=O)OC)c1C	855627332	JTUDYNFMKTWETB-UHFFFAOYSA-N	321.377	1.531	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CC2OCCCO2)c1C	855625217	MOAZLHMTXKPWND-UHFFFAOYSA-N	308.334	1.378	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)Cc1ccccc1OC)C1CC1	852598441	WNQLSZVHMQJQCY-CYBMUJFWSA-N	305.378	1.757	50	20	DDGD	
O=C(NNC(=O)[C@@H](CN1CCCC1)c1ccccc1)C1CC1	854180111	IAHGGVXNPHVCJB-HNNXBMFYSA-N	301.390	1.423	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)[C@@H]1CCCCS1(=O)=O	856092831	IAWIUAWQEXFENZ-VIFPVBQESA-N	303.771	1.145	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CCCN(C)CC2)cc1C	758098770	GENQXDGBBTWLHM-UHFFFAOYSA-N	316.405	1.830	50	20	DDGD	
COC1(C(=O)NNC(=O)c2cccc(N(C)C)c2)CCCC1	754156330	PWIRDQSTCZOMGI-UHFFFAOYSA-N	305.378	1.473	50	20	DDGD	
C[C@@H](CC(=O)NNC(=S)N[C@H](C)C1CC1)c1cnn(C)c1	855096226	UNLLWZMCKVYAOL-VHSXEESVSA-N	309.439	1.208	50	20	DDGD	
O=Cc1ccc(OCC(=O)NNC(=S)NCC2CCC2)cc1	855091289	KGLQIYCJMKWWCD-UHFFFAOYSA-N	321.402	1.173	50	20	DDGD	
NC(=O)C1(C(=O)NNc2cc(C(F)(F)F)ccc2F)CCC1	754149471	XDUSQYNUMYVKEW-UHFFFAOYSA-N	319.258	1.943	50	20	DDGD	
Cc1cc(=NNC(=O)CC2(N3CCOCC3)CCCC2)cc[nH]1	862511053	DURIMNPBSXWZOT-UHFFFAOYSA-N	318.421	1.290	50	20	DDGD	
COCCC(=O)COC(=O)/C(C#N)=C\c1ccc(OC)cc1	761929218	MTLPIYBMVMBGRT-LCYFTJDESA-N	303.314	1.751	50	20	DDGD	
CCO[C@H](C(=O)NNc1nccc(N(CC)CC)n1)C1CC1	863896812	IJLUIVXUARQNEK-ZDUSSCGKSA-N	307.398	1.581	50	20	DDGD	
Cn1ccc(CCNC(=O)NNc2cc(F)c(F)c(F)c2)n1	761009182	AMGZOSWQYYNIOH-UHFFFAOYSA-N	313.283	1.706	50	20	DDGD	
Cc1csc(C(=O)NNS(=O)(=O)N2CCC(C)CC2)c1	863413064	BLDQZAQFAUCJQV-UHFFFAOYSA-N	317.436	1.268	50	20	DDGD	
CCn1ncc(Cl)c1C(=O)NNCC(F)(F)C(F)(F)F	863102242	DEFZKURGPNVEKV-UHFFFAOYSA-N	320.649	1.988	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H]1c1ccc(COC)o1	767933590	IZFXLDRUJUFHNQ-AAEUAGOBSA-N	323.393	1.509	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2conc2C)cc1	868430813	UDKOTPBWUSDYNA-UHFFFAOYSA-N	303.318	1.385	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NC[C@@H]1CN2CCC[C@H]2CO1	866675916	TVQJDYOPAFNDEN-NWDGAFQWSA-N	324.874	1.034	50	20	DDGD	
C[C@@H]1Cc2cc(NC(=O)NNC(=O)[C@@H]3CCCCO3)ccc2O1	933145980	MGNUISNGBSESER-YGRLFVJLSA-N	319.361	1.732	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)Cc2nc(C)cs2)oc1C	767232018	VQYLMJYBVCUALP-UHFFFAOYSA-N	321.358	1.832	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1cnc(OCc2ccccc2)cn1	760496817	RURRZEUWYVOFSW-UHFFFAOYSA-N	321.340	1.629	50	20	DDGD	
O=C(C[C@H]1COC(=O)C1)NNc1nc(C(F)(F)F)cs1	768230258	HDIMPZDLISNPQA-RXMQYKEDSA-N	309.269	1.558	50	20	DDGD	
Cc1ccn2ncc(C(=O)NNc3ncnc4[nH]cnc34)c2c1	766848975	GNFNPLUQMVHCDZ-UHFFFAOYSA-N	308.305	1.066	50	20	DDGD	
CC(=O)N1c2ccccc2C[C@H]1C(=O)NN[C@H](C)C(F)(F)F	862312801	UDWBYWVMZSDBLS-PELKAZGASA-N	315.295	1.536	50	20	DDGD	
CN(C)c1cc(F)c(C=NNC(=O)N2CCOCC2)cc1F	863084424	HSHJTRYPWSOVDX-UHFFFAOYSA-N	312.320	1.407	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1c[nH]nc1-c1ccccc1Cl	768244217	JFHGMNYRKVHTCA-UHFFFAOYSA-N	322.752	1.262	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](N)c1ccc(C(F)(F)F)cc1	876884458	JKODMYHCTGGRDO-SNVBAGLBSA-N	318.299	1.398	50	20	DDGD	
Cc1cnn(CC2CC2)c1NC(=O)NNC(=O)c1ccncc1	1116565207	LAJNFTRHEDRACO-UHFFFAOYSA-N	314.349	1.463	50	20	DDGD	
CONC(=O)C1CCN(C[C@@H](CBr)C2CC2)CC1	879925764	HDVVEVCSONELRW-GFCCVEGCSA-N	319.243	1.797	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](C)Cc1cc(F)cc(OC)c1	875656230	YRZGWOIBWHKXKJ-VIFPVBQESA-N	313.329	1.678	50	20	DDGD	
CC(=O)N(CC(=O)NNC(=O)C1CCCC1)c1ccccc1	878207244	PYWHLEWXEWCEOX-UHFFFAOYSA-N	303.362	1.377	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CO[C@@H]1CCCC[C@@H]1C	772132281	KPMQRFPPLUQYOH-SDDRHHMPSA-N	314.382	1.071	50	20	DDGD	
O=C(NN=Cc1ccc(OCCN2CCOCC2)cc1)C1CC1	872327188	KCZILOAXZODLPQ-UHFFFAOYSA-N	317.389	1.258	50	20	DDGD	
COCCC[C@H](Cc1ccccc1)NC(=O)NN(C)C(=O)OC	875547740	NLLFQXGWFNCAAE-CQSZACIVSA-N	323.393	1.937	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)c1cccc(OC)c1	772040685	DBRZRBQYICGCDL-WDEREUQCSA-N	322.361	1.288	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cnc(C)nc1C(C)C	772135491	MOIRAXPVPIBCNE-SECBINFHSA-N	322.365	1.011	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1cc(C(=O)O)c(C)nc1C	776728397	DBPVWZCWILLGHF-UHFFFAOYSA-N	315.333	1.284	50	20	DDGD	
C/C=C(\C)C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1	772883927	GNZNFBNXLRRZSQ-YCRREMRBSA-N	309.753	1.070	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccc(C(F)(F)F)cc1)C1CCC1	874455047	BRTQPYKJNFJYEU-LLVKDONJSA-N	316.279	1.686	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2ccc(C(F)(F)F)cn2)co1	775257570	MZKKJKGUEYBPTQ-UHFFFAOYSA-N	314.223	1.549	50	20	DDGD	
CCCc1cc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)n[nH]1	771967357	GWMVGQXMNHRJNY-SNVBAGLBSA-N	324.381	1.101	50	20	DDGD	
COc1cc(Cl)ccc1NC(=O)NNC(=O)c1cnccn1	776079240	KWQDLGWLWIZWMR-UHFFFAOYSA-N	321.724	1.605	50	20	DDGD	
Cn1ncc2c1C[C@@H](C(=O)NNc1ccc(F)c(F)c1)CC2	885113999	PQKKQMSOZNXDKW-VIFPVBQESA-N	306.316	1.947	50	20	DDGD	
O=C(CN1CCOCC1)NNc1ccc(OC(F)F)cc1	779240352	NAOYUWSBVMONFN-UHFFFAOYSA-N	301.293	1.063	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H]2CCC=CO2)c1C	777840874	OXSCBJKRTKYKFC-UKRRQHHQSA-N	318.373	1.911	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CCOCC2)nn1[C@H](C)C1CC1	883067720	SJHDTDWGQQNIPI-LLVKDONJSA-N	320.393	1.350	50	20	DDGD	
N#Cc1ccc(NNC(=O)N[C@H]2CCN3CCCC[C@@H]23)nc1	887791187	FUGXTMPKOKNMHD-STQMWFEESA-N	300.366	1.206	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)C[C@@H]2SC(=N)NC2=O)cc1	781041614	JQQNCAUXJGBCGR-NSHDSACASA-N	320.418	1.984	50	20	DDGD	
CNc1c(C(=O)NNc2ccc(OC)cn2)cccc1[N+](=O)[O-]	781527815	VNPAVLPRMSVLQJ-UHFFFAOYSA-N	317.305	1.797	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCCO2)NNC(=O)C1CCOCC1	883071878	PQJCSONIERKHRO-UHFFFAOYSA-N	318.373	1.128	50	20	DDGD	
Cc1cnc(N2CCN(S(=O)(=O)CCCCl)CC2)s1	881970382	PDZZHSFEBDBLCB-UHFFFAOYSA-N	323.871	1.532	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@@H]2CC(=O)c3ccccc32)c1	789639697	ZWQVYPOJDOGRKR-OAHLLOKOSA-N	319.320	1.689	50	20	DDGD	
O=C(CCCc1ccsc1)NNc1ncnc2[nH]cnc12	783648742	AGVKFHDZRJDRNV-UHFFFAOYSA-N	302.363	1.880	50	20	DDGD	
C[C@]1(C(=O)N2CCO[C@@H]3COCC[C@@H]32)C[C@@H]1Br	888783018	HOIYMZCURRHQTO-WYFGTUCQSA-N	304.184	1.176	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2ccccc2C(N)=O)cc1	788701034	ASOJGSVIYFNLIF-UHFFFAOYSA-N	324.340	1.183	50	20	DDGD	
CC[C@H](NS(=O)(=O)CCCCCl)[C@H](O)C(F)(F)F	780827263	GFAAOUQTLCIBJJ-YUMQZZPRSA-N	311.753	1.627	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1cc2nn[nH]c2cc1F	781950032	FWKPAQGDKWCHQF-UHFFFAOYSA-N	306.688	1.324	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](C)Cc2cccnc2)o1	898333142	PAJSCQFTDXKSGE-JTQLQIEISA-N	302.334	1.558	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2cscc2C)n1	787338213	XJOQZPVSZDZWGV-UHFFFAOYSA-N	307.379	1.990	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(OC)c2ncccc12	785844268	OVUKPNULQYTZRV-UHFFFAOYSA-N	317.349	1.941	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)C(=O)Nc2cnn(C(F)F)c2)c1	783357178	PTOCPBMVNGTDKP-UHFFFAOYSA-N	323.303	1.977	50	20	DDGD	
O=S(=O)(c1ccc(CCl)cc1)N1CC(O)(C2CC2)C1	388538786	MXWAASLRLZSHRW-UHFFFAOYSA-N	301.795	1.571	50	20	DDGD	
CC(C)N1CCC[C@H]1C(=O)NNc1nc(O)c2ccccc2n1	896419180	VHYZMDNLRWHONL-ZDUSSCGKSA-N	315.377	1.651	50	20	DDGD	
Cc1noc([C@@H]2CC(=O)N(C3CN(C[C@H]4[C@@H](Cl)[C@@H]4C)C3)C2)n1	895888440	FCYLDLGJDMDWNU-FUPATZSFSA-N	324.812	1.251	50	20	DDGD	
CN(C)CC(=O)NN=Cc1ccc(N(C)c2ccccc2)nc1	797786705	IJCLTDDGBPZYCY-UHFFFAOYSA-N	311.389	1.861	50	20	DDGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNC(=S)NCC2CCC2)C1	798124987	HAAGJUZTOWEMMR-CHWSQXEVSA-N	313.467	1.877	50	20	DDGD	
Cn1c(NNC(=O)c2occ3c2CCC3)nc2ccccc2c1=O	796440532	HGUXHYCSPSROJC-UHFFFAOYSA-N	324.340	1.772	50	20	DDGD	
Cc1nnc(NNC(=O)C2(Sc3ccccc3)CC2)nc1O	1319534621	DHDWZTYWKFAWHG-UHFFFAOYSA-N	317.374	1.654	50	20	DDGD	
O=C(C[C@@H]1C=CS(=O)(=O)C1)NNc1ncnc2ccsc12	1319328191	HSOFBQFLGZGZJI-QMMMGPOBSA-N	324.387	1.083	50	20	DDGD	
CC[C@H](OC1CCCC1)C(=O)NNc1nncc(N)c1Cl	1319303002	LTQVCQPPEMYQBB-JTQLQIEISA-N	313.789	1.893	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NCCCn2ccnc2)nn1	1318597397	HLMQETQNGOCDLE-UHFFFAOYSA-N	317.397	1.687	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc3cncn3c2C)n1	1325019876	GAKNEEOZPDAVFU-UHFFFAOYSA-N	309.329	1.421	50	20	DDGD	
O=C(NNC(=O)c1cnn2c1OCCC2)c1ccccc1Cl	1324882862	KYCXSDBEMXNLPM-UHFFFAOYSA-N	320.736	1.394	50	20	DDGD	
Cc1nc(N(C)C)sc1C(=O)NNc1ncncc1Cl	1320834926	XXBBRWQHUHNVDJ-UHFFFAOYSA-N	312.786	1.718	50	20	DDGD	
NC(=O)C[C@H]1CCCN(C[C@@H](CBr)C2CC2)C1	1328756685	SQROTEQCCCXITC-ZYHUDNBSSA-N	303.244	1.995	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cccc([C@@H]2CCOC2)c1	1320281821	LYJZDRTYULYPRF-CYBMUJFWSA-N	307.419	1.708	50	20	DDGD	
C[S@@](=O)c1ccc(C=NNC(=O)NCc2ccco2)cc1	1322321892	ANZXMVQMBSJOCH-OAQYLSRUSA-N	305.359	1.850	50	20	DDGD	
CCn1nccc1C(=O)NNc1cncc(Br)c1	1320546143	UGZXCEFAVXRZLO-UHFFFAOYSA-N	310.155	1.817	50	20	DDGD	
Cc1cccc([C@@H](C)NC(=O)NNC(=O)C2CCNCC2)c1C	1325353975	FBVDAOKHYIJNHO-CYBMUJFWSA-N	318.421	1.694	50	20	DDGD	
O=C(CCNc1ccccc1)NNC(=O)NCC(F)(F)F	1321298691	FFSKHOHKYPIKBR-UHFFFAOYSA-N	304.272	1.381	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCCc1cc(OC)cc(OC)c1	1337653855	XEWPPUMAEQFIFF-QBFSEMIESA-N	304.346	1.806	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NC1(C(F)(F)F)CC1	1336364252	OJCOKZDEZNFEBG-UHFFFAOYSA-N	302.256	1.049	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2ccc(C)nc2Cl)c1	1262671568	KDLIEYUWMDBYJR-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
Cc1cc(C(F)F)n2ncc(C(=O)NNC(=O)C3CC3)c2n1	1348423443	CXGYOZCALWPIPV-UHFFFAOYSA-N	309.276	1.146	50	20	DDGD	
Cc1n[nH]c(C)c1C[C@H](C)C(=O)NNC(=S)NC(C)(C)C	1350573133	HUGVMIKKRLRRST-QMMMGPOBSA-N	311.455	1.499	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)c1cnn(C2CC2)c1	1608480336	HMHRAHWJNDELMJ-UHFFFAOYSA-N	304.281	1.812	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)cc1F)N[C@H]1CCN(C2CC2)C1	1601556850	OLCNUIDQPGMRNC-JTQLQIEISA-N	322.340	1.387	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccc(C(=O)O)o2)cc1	1600467999	QROYVGGQOZVRQP-UHFFFAOYSA-N	318.285	1.126	50	20	DDGD	
COc1ncc(C(=O)NNc2ccc(F)c(C(=O)O)c2)cn1	1607359790	NVZUPZRFQRDTMC-UHFFFAOYSA-N	306.253	1.079	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cc(C(F)F)[nH]n1	1606857246	AGFDFVDMJRUSOX-UHFFFAOYSA-N	320.263	1.284	50	20	DDGD	
CC(C)(COCC(F)F)C(=O)NNc1ccc(C(=O)O)cn1	1609677374	QOHJJFFYVBNERC-UHFFFAOYSA-N	317.292	1.531	50	20	DDGD	
Cn1c(C(=O)O)ccc1C(=O)NNc1cc(F)c(F)cc1F	1600903431	JFCFESLDGPFWHU-UHFFFAOYSA-N	313.235	1.898	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1cc(F)cc(C(F)(F)F)c1	1602072040	LCIHXDMZPCRUGI-UHFFFAOYSA-N	307.203	1.562	50	20	DDGD	
O=C(NNc1ccccc1F)c1ccc(F)c(-c2nn[nH]n2)c1	1606862037	PGROJVUXWCCMEY-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cnn(C)c2)c(C(=O)O)c1	1607797428	BJJVKZXNTPIFGF-SDQBBNPISA-N	310.313	1.972	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(F)CC1)C(Cl)Cl	1801482186	PPASYHRZGSBYSV-AYMMMOKOSA-N	323.195	1.930	50	20	DDGD	
O=C(NN=Cc1cc2ccccc2o1)[C@H]1CN2CCC[C@H]2CO1	1549318589	PTLONRDYFZJSOG-XJKSGUPXSA-N	313.357	1.746	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@H]1C=NNC(=O)c1ccncc1	1552447181	DSQCOFLEUIIEGP-KBPBESRZSA-N	313.361	1.699	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H]1CCC[C@H]1C(=O)O	1574474905	RJZVJVVEKSFQED-GELOPOQCSA-N	300.314	1.669	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](N)CCC(C)C)c([N+](=O)[O-])c1	1579230430	LWRKMYIHEWOXTC-NSHDSACASA-N	310.354	1.810	50	20	DDGD	
CC(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Cl)CC2)CC1	1835080295	OQDZNKCRQUTYKT-ZDUSSCGKSA-N	319.808	1.112	50	20	DDGD	
O=C(NNc1ccc(F)c(Cl)c1)C1=NO[C@]2(CCNC2)C1	1580739283	BVUUKLMNFWMWRH-CYBMUJFWSA-N	312.732	1.431	50	20	DDGD	
CC1(C(=O)N2CCCC23CN(C(=O)C(Cl)Cl)C3)CC1	1842587464	OAYIEUSTWXVGIT-UHFFFAOYSA-N	305.205	1.794	50	20	DDGD	
C[C@]1(C(=O)N2CC3(CCCN3C(=O)[C@H](F)Cl)C2)CC1(F)F	1843367676	VTTGLKUJJVCUCL-GZMMTYOYSA-N	324.730	1.770	50	20	DDGD	
CC1(C)C(=NNC(=O)NCC(=O)O)C[C@@H]1Oc1ccccc1	1593815346	JBLOZOSTXFZGFJ-LBPRGKRZSA-N	305.334	1.604	50	20	DDGD	
C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1841608749	MATMCBMQFKPEPY-WDEREUQCSA-N	318.776	1.315	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(C(=O)O)cc2F)nn1C	1597432057	WRHZBGOSSMSTGM-UHFFFAOYSA-N	306.297	1.577	50	20	DDGD	
COCCN(CC(C)C)NC(=O)c1ccc(C(=O)O)s1	1599234992	PZMMDGLQAOWHAX-UHFFFAOYSA-N	300.380	1.696	50	20	DDGD	
CO[C@H]1CCC[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)C1	1591353098	GZKXNDNCTYIKOR-AAEUAGOBSA-N	316.365	1.515	50	20	DDGD	
Cc1cccnc1NNC(=O)Cc1cccc(-c2nn[nH]n2)c1	1592263860	HOMJUKCQFYURHZ-UHFFFAOYSA-N	309.333	1.256	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccc(O)cc2)ccc1C(=O)O	1776012566	IBSLKBLMMGJYHI-UHFFFAOYSA-N	314.297	1.863	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCCS2)ccc1C(=O)O	1776081785	HKJPMSWIIUCVBO-LBPRGKRZSA-N	308.359	1.739	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=Cc1cccc(O[C@H](C)C(=O)O)c1	1776102810	ZIDAIRJLLYMXSP-LERXQTSPSA-N	320.345	1.414	50	20	DDGD	
Cn1c(C=NNC(=O)c2ccc(C(=O)O)cc2)cnc1Cl	1776101144	SOEJSGVGPDHGIE-UHFFFAOYSA-N	306.709	1.536	50	20	DDGD	
CC(C)(C)OC(=O)N(CCO)N=Cc1cccc(C(=O)O)c1	1776110494	FJUCZNAXKZDCFB-UHFFFAOYSA-N	308.334	1.948	50	20	DDGD	
O=C(NCC1CC1)NN=C1CCCc2ncc(C(=O)O)cc21	1776039350	LXEYSFMQFRPVAL-UHFFFAOYSA-N	302.334	1.529	50	20	DDGD	
CC(C)(CCl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC#N	1795459093	DRUWSWBLGCLDKN-ZSBIGDGJSA-N	311.813	1.803	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)CC(C)(C)C)c2ccccc2c1=O	17192372	GRYPWFDLSVLEEC-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(C)Cc2ccsc2)c1	152923039	RBRCQQCJKBDGNO-UHFFFAOYSA-N	317.414	1.950	50	20	DDGD	
O=C(CC1CCCC1)NNc1nccc(N2CCOCC2)n1	155583147	FXXPHIHEPYHPAE-UHFFFAOYSA-N	305.382	1.337	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1c(C)oc(C)c1C	156103236	DJGGKESZIGUFBY-UHFFFAOYSA-N	309.366	1.271	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(C)c(C)s1	156126204	XGAIAKRTPLWXST-UHFFFAOYSA-N	311.407	1.431	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cc(C)ncn2)n1	155706188	NVPFRMSZLIZCIX-UHFFFAOYSA-N	301.354	1.178	50	20	DDGD	
N#Cc1ccc(NNC(=O)CNC(=O)c2cccs2)cc1	155260639	RDYYMFSTUCUVOB-UHFFFAOYSA-N	300.343	1.493	50	20	DDGD	
CSc1cc(C(=O)NNC(=O)c2cccn2C)ccc1F	156373211	VLLKLJJQPAKKJC-UHFFFAOYSA-N	307.350	1.961	50	20	DDGD	
CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)/C(C#N)=C/OCC)C1	159165273	ZZVXRWYKVZAGJO-HMVKAIMHSA-N	321.421	1.974	50	20	DDGD	
Cc1ccc(C(=O)NCCNS(=O)(=O)CCCCl)cc1	40809573	LXKHGCMBTZNWEQ-UHFFFAOYSA-N	318.826	1.273	50	20	DDGD	
CN(C)C(=O)[C@@H]1CCCN1C[C@H](CBr)C1CC1	859068799	SBFLWBLLKVMENZ-RYUDHWBXSA-N	303.244	1.960	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)CCc1cnc[nH]1	862290532	YZAXKZGREIJHMP-UHFFFAOYSA-N	302.334	1.642	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCOc1ccccc1Cl	110758264	HJOKLOBFKLWTPX-UHFFFAOYSA-N	322.752	1.602	50	20	DDGD	
COc1ccccc1/C(C)=C/C(=O)NNC(=O)c1ccncc1	171347619	QYTAAPGRVCRIPX-VAWYXSNFSA-N	311.341	1.955	50	20	DDGD	
CC(C)CCO[C@H](C)C(=O)NNC(=O)CNc1ccccc1	104830553	FOKGFTTTXLZFCP-CYBMUJFWSA-N	307.394	1.697	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)c2cnn(C)c2)ccc1F	117955747	OPPHJQAYTLPYOC-UHFFFAOYSA-N	305.313	1.012	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)NCCCCC#N	170887183	KIQLWNMGPAJJQN-UHFFFAOYSA-N	324.768	1.986	50	20	DDGD	
C[C@@H]1CC[C@H](CCC(=O)NNC(=O)c2ccc(C#N)cc2)O1	175791257	IFGBXBNZDWFHKT-BXUZGUMPSA-N	301.346	1.667	50	20	DDGD	
O=C(CCc1ccccc1F)NNC(=O)NCc1ccco1	65177214	XQNFVUFVJNQUAJ-UHFFFAOYSA-N	305.309	1.882	50	20	DDGD	
Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NNC(=O)CC#N	119332185	IYJLMWULHLLEAH-JTQLQIEISA-N	309.753	1.785	50	20	DDGD	
O=C(CN1CCCCCCC1=O)NNc1ncccc1Cl	172268005	XCTAMLJIMNWZIX-UHFFFAOYSA-N	310.785	1.971	50	20	DDGD	
COCCCNC(=O)NNC(=O)/C=C/c1ccc2c(c1)CCO2	65206583	LLEJMWHZRJEFBC-GQCTYLIASA-N	319.361	1.002	50	20	DDGD	
CC[C@@H]1CN(C(=O)NNC(=O)c2cccc(C#N)c2)C[C@@H](C)O1	111491337	NMWDELRVSRRBPI-BXUZGUMPSA-N	316.361	1.412	50	20	DDGD	
CCCOc1ccc(Cl)cc1C(=O)NNC(=O)CN(C)C	175258789	QSJHOJLYWJLOEB-UHFFFAOYSA-N	313.785	1.451	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CC1CCOCC1	117231753	NYYXLFYUAVCHPX-NSHDSACASA-N	324.352	1.557	50	20	DDGD	
Cc1nc(C(C)C)oc1C(=O)NNc1nncc(N)c1Cl	1261242719	DKLRBJFBBVXHHS-UHFFFAOYSA-N	310.745	1.889	50	20	DDGD	
C[C@@H]1[C@@H](C(=O)NNC(=O)c2cccc3ncccc23)C1(F)F	1348803839	KFSKCYFRDKLGLO-PELKAZGASA-N	305.284	1.897	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@H](O)CC(C)(C)C)s1	172287011	CYZWHKGKBYQNSS-JTQLQIEISA-N	313.423	1.798	50	20	DDGD	
NC(=O)[C@H](NNC(=O)COc1ccccc1F)c1ccccc1	26223093	MCVRMBLWGOUDSP-OAHLLOKOSA-N	317.320	1.052	50	20	DDGD	
C[C@H](CNC(=O)NNc1ccc(Cl)nn1)CN1CCCC1	123017179	YDCLYRCFBXNRKL-SNVBAGLBSA-N	312.805	1.488	50	20	DDGD	
CCOCC(=O)NNC(=O)c1cc(-c2cc(C)ccc2C)n[nH]1	127252997	JQCMFOGEADWPQW-UHFFFAOYSA-N	316.361	1.491	50	20	DDGD	
O=C(CCc1ccco1)NNC(=O)[C@@H]1COc2ccccc2O1	30058535	PKEHNPDPVXCJNA-AWEZNQCLSA-N	316.313	1.200	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)Nc2ccnn2C)c1	124620213	SKSJKXUKJBELKD-UHFFFAOYSA-N	317.349	1.269	50	20	DDGD	
COc1ccc(C(=O)NNc2nnc(C3CC3)s2)c(O)c1	184535020	ZOSYBJKSAQMZCC-UHFFFAOYSA-N	306.347	1.887	50	20	DDGD	
CCc1[nH]c(C(=O)NNc2cccnn2)c(C)c1C(=O)OC	77030113	WBIGDZGLKBUOCS-UHFFFAOYSA-N	303.322	1.219	50	20	DDGD	
CN(NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(N)=O	181069054	JGBFZLNTQUYARV-UHFFFAOYSA-N	321.337	1.240	50	20	DDGD	
Cc1ccc(C2(C(=O)NNc3cnccn3)CCOCC2)cc1	186983324	DERNDNVKRFDWSW-UHFFFAOYSA-N	312.373	1.977	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)C[C@H](C)Cc1cccc(F)c1	72817954	QQWURRNCXWBPGZ-LLVKDONJSA-N	323.368	1.066	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1c[nH]nc1C1CC1	188135880	LTCQXTLBWQWYMM-UHFFFAOYSA-N	314.345	1.299	50	20	DDGD	
CCN(CC)CCSCC(=O)NNc1cccc(OC)n1	183032336	MKEWAFLOMQCDBA-UHFFFAOYSA-N	312.439	1.608	50	20	DDGD	
Cc1ccc(Cl)c(O[C@H](C)C(=O)NNC(=O)CN(C)C)c1	75653938	GRAUUKHPEDLPNQ-SNVBAGLBSA-N	313.785	1.125	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccccc1C(C)C	124795556	NLCHLIJDCUNBBP-NSHDSACASA-N	305.378	1.942	50	20	DDGD	
CN(NC(=O)c1cccc(CSc2nccn2C)c1)C(N)=O	182651870	LAZAWNIYLDHIEP-UHFFFAOYSA-N	319.390	1.368	50	20	DDGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CCO[C@@H]2C[C@H]21	813735192	XWTGVLOLBUSPAL-CHWSQXEVSA-N	301.795	1.630	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C[C@H]1C=CCCC1	188981341	RFJZFQBYQJVUFJ-ZDUSSCGKSA-N	318.373	1.968	50	20	DDGD	
C[C@H](CCNC(=O)NNC(=O)c1ccccc1)N1CCCCC1	182705939	NUEIKFWLRGFOCO-CQSZACIVSA-N	318.421	1.895	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc(F)c(F)c2F)[nH]n1	182736291	FDUKKMRUNGXRBC-UHFFFAOYSA-N	313.239	1.602	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNC(=O)c1cc2ccccc2o1	188257883	KOYLQSIKBMIMSZ-UHFFFAOYSA-N	312.329	1.776	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(Cl)cn2)n1	134491924	DOCKABBIOXOLRH-UHFFFAOYSA-N	307.741	1.010	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H]2CCN(CC(C)C)C2)nn1	133654950	LFPSGFYJSPRDDH-CYBMUJFWSA-N	306.414	1.389	50	20	DDGD	
C[C@H]1C[C@H](C)CN(CCCCNC(=O)NNc2ncccn2)C1	46761487	JFWXXEWBOBYBRH-KBPBESRZSA-N	320.441	1.861	50	20	DDGD	
COC(=O)NNC(=O)CCc1ncc(-c2ccccc2F)o1	193161846	XOMOIPZVIGMJMH-UHFFFAOYSA-N	307.281	1.801	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)[C@@H]2CCCO2)c1C	42968846	XDIIKCUAFIVXGX-AWEZNQCLSA-N	306.362	1.399	50	20	DDGD	
COc1cccc(CCC(=O)NNc2nccnc2OC)c1	131941777	TUCGYCPBRJXBKG-UHFFFAOYSA-N	302.334	1.570	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccccc1C(F)(F)F	254365199	UTXURTYVSQJJED-UHFFFAOYSA-N	301.268	1.680	50	20	DDGD	
CC(=NNC(=O)C1CC1)[C@@H](c1ccccc1)N1CCOCC1	252507108	YKXSFJATTGGLKQ-INIZCTEOSA-N	301.390	1.962	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NC[C@@H]2CCCOC2)cc(C#N)n1C	255369588	QXSBHFXKYWHMRF-NOAOUHAHSA-N	312.373	1.655	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1cc(F)c(F)c(F)c1	266120970	YTLYILCMORWTIO-UHFFFAOYSA-N	324.324	1.850	50	20	DDGD	
Cn1c(NNC(=O)[C@@H]2CCCS2)nc2ccccc2c1=O	266447657	NIWFQYRLRAOGST-NSHDSACASA-N	304.375	1.272	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H]1CC[C@@H](CC)O1	268235744	MKVCOECFRKHLMH-HIFRSBDPSA-N	320.389	1.733	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNc1nc(-c2ccccc2)no1	264757292	MTXNKXIBHCCCIJ-UHFFFAOYSA-N	319.321	1.314	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2CCCC[C@H]2OC)n1	266954627	LBBKLEMRAKMCMQ-GHMZBOCLSA-N	309.370	1.377	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@@H](C(N)=O)C1	265043802	NEJLJRRDLDJNAJ-LLVKDONJSA-N	312.801	1.076	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)n1	360616566	COVNIRKMUCPOQL-QJRTVWDNSA-N	316.405	1.868	50	20	DDGD	
CCN1CCOC[C@H]1C(=O)NNc1ccc(C(F)(F)F)cn1	364326072	OFJWXGDXMZMEHL-JTQLQIEISA-N	318.299	1.264	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C2Cc3ccccc3C2)cc1	277200582	DQCOYGVIJQYHFQ-UHFFFAOYSA-N	324.380	1.936	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1c(C)c(C)nn(C)c1=O	274570887	FOIQVEVONCJPQB-UHFFFAOYSA-N	304.325	1.602	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Cc1ccc(C)c(O)c1	276585895	PGZRQYPMHQHXHE-UHFFFAOYSA-N	324.377	1.180	50	20	DDGD	
O=C(COC1CCCC1)NNC(=O)CSc1ccccc1O	270679578	HOVQIJSLFLLSIY-UHFFFAOYSA-N	324.402	1.591	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(C#N)cc1Cl	273633759	BQRSAEQKTZPXRD-UHFFFAOYSA-N	322.752	1.344	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)c1cccc(C2CCC2)c1	281016533	AAOURLPHYRQHED-UHFFFAOYSA-N	303.362	1.240	50	20	DDGD	
CC[C@@H](C)CCC(=O)NNC(=O)Cc1cn2ccccc2n1	285913375	CAFJHRIGILYXQC-GFCCVEGCSA-N	302.378	1.851	50	20	DDGD	
O=C(CN1CC[C@@H](C2CC2)C1)NNC(=O)c1ccc(F)cc1	371334978	ICASJDIXGKYQOC-CYBMUJFWSA-N	305.353	1.319	50	20	DDGD	
O=C(C[C@H]1COCCN1)NNc1c(Cl)cccc1Cl	285717925	TWLIIVBPIMIEBH-QMMMGPOBSA-N	304.177	1.815	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(OCC(C)C)c(OC)c1	288485236	LMBYJEMTCWPWRO-UHFFFAOYSA-N	310.394	1.953	50	20	DDGD	
C[C@H](OC[C@H]1CCCO1)C(=O)NNC(=O)Nc1ccccc1	283622364	ASIFNVZRCYDWDK-WCQYABFASA-N	307.350	1.423	50	20	DDGD	
CCCOCC(=O)NNC(=O)Nc1cc(OC)ccc1Cl	283542342	DBUQZEQGMMTFLX-UHFFFAOYSA-N	315.757	1.928	50	20	DDGD	
CSCC(C)(C)C(=O)NNC(=O)Cc1cn2ccccc2n1	281913207	NNIWULWPQKGXEM-UHFFFAOYSA-N	320.418	1.413	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)c1ccc(Cl)cc1F)C1CC1	287993033	RSYUFIPPALDWBE-ZDUSSCGKSA-N	300.717	1.401	50	20	DDGD	
CCc1csc(CC(=O)NNC(=S)NCCSC)n1	283376116	ZLFCNHVDIJWRHP-UHFFFAOYSA-N	318.493	1.106	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@@H](C)C(F)(F)F	288629562	NSJVLDRFQYCZQP-QMMMGPOBSA-N	319.283	1.519	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)no1	294251308	FRZCCKCISKKTFE-UHFFFAOYSA-N	305.309	1.770	50	20	DDGD	
CC(C)(C)n1cnc(C(=O)NNc2nccnc2C2CCC2)n1	291133574	GLDGSNUHZHMCCE-UHFFFAOYSA-N	315.381	1.848	50	20	DDGD	
CCCC[C@H](C)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	800277945	YHQNOSUGBXJYCW-NWDGAFQWSA-N	300.399	1.938	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@H]1C[C@@H]1Cc1ccccc1	296279852	BOPMWROHJOWBMJ-KKUMJFAQSA-N	317.389	1.517	50	20	DDGD	
C[C@H]1CSC[C@@H]1NC(=O)NNC(=O)c1cccc(N(C)C)c1	805788169	AWIGIWYZVAHVAU-GWCFXTLKSA-N	322.434	1.448	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)Cn2cncn2)c(Cl)c1	802049030	SSVSHQQUJZHJLU-UHFFFAOYSA-N	308.729	1.093	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1[N+](=O)[O-]	292480616	BTUCHIOUCCJAMS-CABZTGNLSA-N	322.321	1.623	50	20	DDGD	
Cc1cncc(CCC(=O)NNC(=O)NCC(F)(F)F)c1	292160157	KKRLNLXZYWXSMZ-UHFFFAOYSA-N	304.272	1.215	50	20	DDGD	
CC[C@H](C)CONC(=O)NNC(=O)[C@H]1COc2ccccc2O1	291760372	LMNUFYQJLHVBFC-GXFFZTMASA-N	323.349	1.135	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1sccc1OC(F)F	295328696	HDJHAVLBZZVIPA-MRVPVSSYSA-N	320.317	1.680	50	20	DDGD	
CCOC(=O)Nc1scnc1C(=O)NNC(=O)C(C)(C)C	291576805	ZXSCNEPKKKBBFR-UHFFFAOYSA-N	314.367	1.519	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)N=c2cc[nH]cc2)c2ccccc21	802036630	YEZHTMMZDSLLBF-UHFFFAOYSA-N	323.356	1.945	50	20	DDGD	
CO[C@@](C)(CNC(=O)NNc1ncc(F)cc1F)C1CC1	298104576	WZNQVHHDTJRVIT-ZDUSSCGKSA-N	300.309	1.801	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(C(C)C)nc2C)[nH]n1	294582152	NMLYHUSDBVPLJE-UHFFFAOYSA-N	301.350	1.620	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c1	801929893	XQAAXWFWQKXBIT-UHFFFAOYSA-N	315.264	1.945	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1	297226238	XYJQAHXWVMTJIY-GFCCVEGCSA-N	311.813	1.776	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@@H](C)c1ccsc1	802382612	CIMWGCDMBQENJP-VHSXEESVSA-N	315.395	1.191	50	20	DDGD	
Cn1cncc1CC(=O)NNc1ccc(-c2ccccc2)nn1	807032233	WFAAFBRXIMMURB-UHFFFAOYSA-N	308.345	1.563	50	20	DDGD	
Cc1ccc2c(c1)[C@H](NC(=O)NNC(=O)[C@@H]1CCCO1)CCC2	293314437	IHXMJKSRBDHFMC-CABCVRRESA-N	317.389	1.882	50	20	DDGD	
N#CCCCCCC(=O)NNC(=O)Cn1cnc2ccccc21	805152096	JGLHNHVKLDANAQ-UHFFFAOYSA-N	313.361	1.658	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2cccnc2O)ccc1C	816689585	PDLXVMHGAXEFOR-UHFFFAOYSA-N	301.302	1.639	50	20	DDGD	
CON1CCC(NC(=O)NNc2cccc([N+](=O)[O-])c2)CC1	817805780	YZWBTVFBUBPURA-UHFFFAOYSA-N	309.326	1.247	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1O)C1CCN(C)CC1	814952938	GFSQUKJAEOZYJT-UHFFFAOYSA-N	305.378	1.605	50	20	DDGD	
Cc1nsc(C)c1C(=O)NNC(=O)Cc1ccc(F)cc1	814103912	YFHONMSLZBXGRE-UHFFFAOYSA-N	307.350	1.903	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1cccc2c1OCC(=O)N2	810254806	JDZRDHAKCFLECH-UHFFFAOYSA-N	313.317	1.870	50	20	DDGD	
COCc1ccccc1CNC(=O)NNc1ncncc1F	814275768	JXBVRPBLAXGXGX-UHFFFAOYSA-N	305.313	1.588	50	20	DDGD	
O=C(NNC(=O)[C@@H](F)C(F)(F)F)c1cccc2ncccc12	810360463	PEKQLZXIPMPSOC-SNVBAGLBSA-N	315.226	1.896	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1CCc2cncn2C1	816918173	RAXZNIUGHAXVGG-SNVBAGLBSA-N	301.306	1.497	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1ccc(-c2noc(C(F)F)n2)cc1	816631141	HMKOLQJDTYFWLJ-UHFFFAOYSA-N	321.247	1.549	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)NCC(F)(F)F)cc1O	811639311	VYCMNSYGHVBQHF-UHFFFAOYSA-N	305.256	1.986	50	20	DDGD	
COCCC(COC)=NNC(=O)Cc1cn2ccccc2n1	812226695	SFMXMLPUSJPKEP-UHFFFAOYSA-N	304.350	1.032	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)c1ccc(OC)cc1OC	812502389	KCBDQXACGXXZMR-QWRGUYRKSA-N	324.377	1.383	50	20	DDGD	
CC(C)OCCONC(=O)NNC(=O)CCc1ccccc1	812952115	NVAWLSWOYPHEEG-UHFFFAOYSA-N	309.366	1.306	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)c2cccc3cccnc23)c(C)o1	814312397	GIPPJACKCBEDCQ-UHFFFAOYSA-N	310.313	1.914	50	20	DDGD	
COCc1cccc(S(=O)(=O)NNC(=O)C2CCCC2)c1	727355586	UZOQRGBAXVJHLR-UHFFFAOYSA-N	312.391	1.333	50	20	DDGD	
CCN(CC)CCCNC(=O)NNc1ncncc1Cl	814273861	FJCLVOTZBUGCRY-UHFFFAOYSA-N	300.794	1.488	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(CCN(C)C)cc1	816970807	KYOYGVCQLBPTDB-UHFFFAOYSA-N	315.377	1.346	50	20	DDGD	
CO[C@@H]1CCC[C@@H](C(=O)NNC(=O)CNc2ccccc2)C1	823975249	YYBTXEZQVVOJRW-TZMCWYRMSA-N	305.378	1.451	50	20	DDGD	
Cn1cc(C(=O)NNC(=S)Nc2ccccc2Cl)cn1	725908565	HKCPMMWSHYOYNW-UHFFFAOYSA-N	309.782	1.705	50	20	DDGD	
CC[C@H](Oc1ccccc1Cl)C(=O)NN(CC)CCO	823864933	FIQPWIOZRQSLKQ-LBPRGKRZSA-N	300.786	1.843	50	20	DDGD	
CCC[C@@H](CNC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)OCC	491176609	QQBFFDUJQLBPCU-GRFABLRMSA-N	318.377	1.423	50	20	DDGD	
Cc1nc(SCC(=O)NN(C)[C@@H](C)CO)c(C#N)c(C)c1C	823988065	PCDGKMOGKARNPO-VIFPVBQESA-N	322.434	1.314	50	20	DDGD	
CC(C)CC[C@H]1CCCC1=NNC(=O)[C@@H](C)NS(C)(=O)=O	728434155	VAUITOBZDKBPJJ-VXGBXAGGSA-N	317.455	1.633	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(-c2ccc(F)cc2)n1C	823964874	FPQFFQUQHBHNNX-LLVKDONJSA-N	305.353	1.789	50	20	DDGD	
CCn1c(O)nc2cc(C(=O)NNC(=O)CC(C)C)ccc21	820709497	FJGKLWAOKVQSBX-UHFFFAOYSA-N	304.350	1.569	50	20	DDGD	
CN(C)c1ccc(CCCNCc2ccccc2B(O)O)cc1	585014626	ABKZORXKPLBQNB-UHFFFAOYSA-N	312.222	1.155	50	20	DDGD	
C[C@]1(CNCc2ccc(B(O)O)cc2)OCCc2sccc21	585041345	NVXQFOKEQRVYJN-MRXNPFEDSA-N	317.219	1.006	50	20	DDGD	
CCCC1CCC(N(C)C(=O)c2ccc(B(O)O)c(F)c2)CC1	584980918	OIEUQBYXWBNMBR-UHFFFAOYSA-N	321.201	1.936	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)C(C)C)c1ccccc1OC	828655835	ISKWNLWLZZRNNN-ZDUSSCGKSA-N	307.394	1.539	50	20	DDGD	
CN(CC(=O)NNC(=O)C(C)(C)C)C[C@@](C)(O)c1ccccc1	823598049	FFKBJTZUUNSHKJ-QGZVFWFLSA-N	321.421	1.019	50	20	DDGD	
CCS[C@@H]1CCCC[C@H]1NCC(=O)NNC(=O)C(C)C	828970290	UQQJHKLRFSEYAN-VXGBXAGGSA-N	301.456	1.444	50	20	DDGD	
Cc1ccc([C@H](NC(=O)c2ccc(B(O)O)cc2)C2CC2)cc1	584929442	TWQRPOQFXLYHGA-KRWDZBQOSA-N	309.174	1.556	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)COc1cc(C)ccc1C	732528345	YJMLHRBSUMPYDF-UHFFFAOYSA-N	312.391	1.219	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1Cc2ccccc2OC[C@@H]1C	828770728	FNWKRYDYKQOSIZ-LBPRGKRZSA-N	305.378	1.073	50	20	DDGD	
O=C(c1ccc(C2SCCS2)cc1)N1CC[C@H](B(O)O)C1	585074254	LBUOVJZGVUQGLR-LBPRGKRZSA-N	323.248	1.854	50	20	DDGD	
CCSCC[C@H](C)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	826114754	UKRFEHLIKVUXSO-HBNTYKKESA-N	303.428	1.274	50	20	DDGD	
C[C@@]1(C(=O)NCc2nccnc2Cl)C[C@H]1Br	908113108	NBGHEDKYWBYGRZ-GMSGAONNSA-N	304.575	1.920	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CC(C)(C)NC(=O)OC(C)(C)C	739712868	QNBKLKOPRNJYQU-UHFFFAOYSA-N	316.402	1.419	50	20	DDGD	
CCC(CC)[C@@H](O)CNC(=O)NNC(=O)c1ccccc1C	732236546	ZMEKSZTVMKZEJP-AWEZNQCLSA-N	307.394	1.736	50	20	DDGD	
C[C@@H](O)CN(CCO[Si](C)(C)C(C)(C)C)S(C)(=O)=O	902716417	IQIGHXNSCFHUDP-LLVKDONJSA-N	311.520	1.651	50	20	DDGD	
O=C(NNC1=N[C@H]2C=C[C@H]1C2)c1nn(-c2ccccc2)cc1O	739412572	DPTCZWIIGLJBEB-QWRGUYRKSA-N	309.329	1.169	50	20	DDGD	
OB(O)c1cccc(CNC[C@@H]2SCCc3ccccc32)c1	585026147	JFWMJLGRJXKUPO-KRWDZBQOSA-N	313.231	1.487	50	20	DDGD	
CC(C)[C@H](C(=O)NN=c1sc2ccccc2n1C)N(C)C	730271222	QBWTXIBDYJUOQH-CYBMUJFWSA-N	306.435	1.758	50	20	DDGD	
Cc1cc(C)n(CCC(=O)NNc2cnnc3ccccc23)n1	733808696	FEYFOQFYBGZOSY-UHFFFAOYSA-N	310.361	1.977	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)c2ccc3ccccc3n2)n[nH]1	738483518	XJBIBVOKPYOMMK-UHFFFAOYSA-N	324.344	1.411	50	20	DDGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)[C@H]1C[C@H]1C(=O)O	739550191	WWXWFJQGDJBTJH-DTWKUNHWSA-N	322.708	1.554	50	20	DDGD	
CO[C@@H]1CCCC[C@@H]1c1nc(-c2ccc(B(O)O)cc2)no1	585055122	RILWNAVMRQKLSW-QWHCGFSZSA-N	302.139	1.089	50	20	DDGD	
CC[C@@H](C)[C@@H](C)N(C(=O)c1cc(B(O)O)ccc1F)C1CC1	584942003	PHKDRTUZJOAJSK-GHMZBOCLSA-N	307.174	1.545	50	20	DDGD	
Cc1cc(C(=O)NNc2nc(-c3ccncc3)no2)c(C)n1C	732065502	LHTGWCLDBCYOTF-UHFFFAOYSA-N	312.333	1.844	50	20	DDGD	
Cc1ccccc1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1	584975765	NPZGWAKJQQXKBB-UHFFFAOYSA-N	323.201	1.695	50	20	DDGD	
CC(=O)N(C)C1CCN(C(=O)[C@]2(C)C[C@@H]2Br)CC1	906416879	HYWILZHXSOUEGL-WCQYABFASA-N	317.227	1.629	50	20	DDGD	
CCN(C(C)=O)c1nc(C=NNC(=O)c2c[nH]nc2C)cs1	735410469	HFISAWHLMUQHKP-UHFFFAOYSA-N	320.378	1.311	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc2scnc2c1	831406884	WGOJBHCLSNIYOE-WCBMZHEXSA-N	320.374	1.874	50	20	DDGD	
Cc1ccc2c(c1C)C(=NNC(=O)C(=O)N1CCCC1)CCO2	737435822	ZTIDEZLRTIRSJN-UHFFFAOYSA-N	315.373	1.529	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1ccc(C(=O)O)cc1	737576988	VEIPPNOBPMEVFN-UHFFFAOYSA-N	307.350	1.651	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(CSc2nccn2C)o1	910169719	WDQJUVVRIVOXQN-SNVBAGLBSA-N	324.406	1.263	50	20	DDGD	
Cc1ccccc1C(=O)NN[C@H](C(N)=O)c1ccc(C#N)cc1	734507364	VTQKWTHLHTZPKD-HNNXBMFYSA-N	308.341	1.328	50	20	DDGD	
Cc1cnc(Cl)c(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	831711528	RUFWNWYOTDPKGG-DTWKUNHWSA-N	312.757	1.621	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CC2(C1)CS(=O)(=O)C2	910700951	NLNYNZWXODYITJ-MRVPVSSYSA-N	324.240	1.053	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nn2nnc(C)c2C)cc1	914013251	MTURSVGQWHUNRH-ZROIWOOFSA-N	311.345	1.971	50	20	DDGD	
COCCOc1ccc(C(C)=NNC(=O)C2CC2)cc1OC	915941015	IJHXCZFJJWHAJE-UHFFFAOYSA-N	306.362	1.971	50	20	DDGD	
O=S(=O)(CCl)N1CCCN2c3ccccc3C[C@H]2C1	831582815	IVLLFUSCOJJPOY-LBPRGKRZSA-N	300.811	1.650	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCc1ccon1)c1ccccc1	747509143	AFBVIWADLWUMGD-CYBMUJFWSA-N	302.334	1.699	50	20	DDGD	
CN1CCN([C@@H](CNC=C(C#N)C#N)c2cccs2)CC1	747829161	ZYJAHWJLZYRASW-AWEZNQCLSA-N	301.419	1.557	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1CCN(c2cc(C)cc(C)c2)C1=O	837624041	VEXHXHXRWHAPMV-HNNXBMFYSA-N	319.405	1.266	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H](O)c1cnn(C)c1	840545186	CDHVIOJQXPVLRA-JTQLQIEISA-N	324.772	1.164	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)[C@H]2CCO[C@@H]2C)sc1C	842590309	NYSMXBSTHBXGIK-SCZZXKLOSA-N	318.420	1.099	50	20	DDGD	
O=C(CNc1ccccc1F)NN=C1CCCn2ccnc21	848400928	RCXDWKRFBSCHEU-UHFFFAOYSA-N	301.325	1.748	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccccc1C(F)(F)F	843637488	CNXJQGBGKHYWMM-RKDXNWHRSA-N	316.279	1.891	50	20	DDGD	
Cc1cc2ccc(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)cn2c1	843970220	CFFLOGBRHZVOGC-RISCZKNCSA-N	301.346	1.434	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@@H]1CCN2CCC[C@@H]2C1	916572870	DWAUYCGZOILKDF-VXGBXAGGSA-N	320.368	1.397	50	20	DDGD	
CCOc1ccc(C(=O)NN=Cc2cc(C)nn2C)cc1OC	841612692	NPXGZLXRUKRSTR-UHFFFAOYSA-N	316.361	1.900	50	20	DDGD	
C[C@H](NNC(=O)C1CCC(N2CCOCC2)CC1)C(F)(F)F	912898082	GNOGSJQUEFPXHF-UNXYVOJBSA-N	323.359	1.449	50	20	DDGD	
O=C(NNc1cccnn1)[C@@H]1CCO[C@H](c2ccccc2)O1	847717060	YGVIXDKVPNBJQR-WFASDCNBSA-N	300.318	1.424	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCCC1=NNC(=O)c1ccccc1F	741453338	PKXGAPCEWOVIAN-ZDUSSCGKSA-N	312.366	1.899	50	20	DDGD	
C[C@H]1CC[C@H](C)N1CC(=O)NNC(=O)COc1ccc(F)cc1	746096091	OZRKNGYDCDFSBH-RYUDHWBXSA-N	323.368	1.225	50	20	DDGD	
CCCC(=NNC(=O)Cc1cc(O)nc(O)n1)c1ccccc1	743446005	MOCBQOBUJIJVOE-UHFFFAOYSA-N	314.345	1.751	50	20	DDGD	
O=C(NN=Cc1ccc(O)c(O)c1O)c1cccc([N+](=O)[O-])c1	916245697	SBCAPMZEPMGCMH-UHFFFAOYSA-N	317.257	1.476	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1(Cc2ccccc2)CC1	843652625	KFBNXSAKANASOM-TZMCWYRMSA-N	302.374	1.582	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@@H]1CCCN2CCCC[C@H]12	847442847	OJLSRGCMYZWULT-HUUCEWRRSA-N	316.405	1.648	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=C1CCSCC1	916370889	GTXHEEBYCOXZPP-YNEHKIRRSA-N	313.467	1.731	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C2(OC)CCCC2)cc1	846375729	IPUKWWMUZZSHDZ-UHFFFAOYSA-N	306.362	1.804	50	20	DDGD	
CCCN1CCC[C@@H]1C(=O)NNc1ccc(CC(=O)OC)cc1	846372751	ZVGXREZOXBFYNU-OAHLLOKOSA-N	319.405	1.720	50	20	DDGD	
CCC[C@H](C(=O)OCC)S(=O)(=O)NCCCSC#N	916999259	FALUITVBZGSVPL-SNVBAGLBSA-N	308.425	1.242	50	20	DDGD	
N#CCN1CCC(NC(=O)NNc2ccc(F)c(F)c2)CC1	917313922	OWEQOFWRHPCTLC-UHFFFAOYSA-N	309.320	1.579	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)c1ccccc1F)CC(C)C	841586369	MEMRYMHLCGJWJV-LLVKDONJSA-N	311.357	1.831	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@@H](C)c2ccco2)c1	743295658	QFIYIANSHNVOHH-NSHDSACASA-N	317.345	1.651	50	20	DDGD	
O=C(CCNC(=O)c1ccco1)NNc1ccc(Cl)nc1	743818120	MNRHEGONQRTAAA-UHFFFAOYSA-N	308.725	1.591	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCc1cc2ccccc2[nH]1	746978374	HCAFMGHZYGVFAF-UHFFFAOYSA-N	314.267	1.951	50	20	DDGD	
Cc1noc(C)c1CCC(=O)NNc1ccnc(N(C)C)n1	740103373	PHGHOPGDVAZFCK-UHFFFAOYSA-N	304.354	1.223	50	20	DDGD	
CCOC(=O)CCOc1ccc(C(C)=NNC(=O)NC)cc1	745006414	VGXXKPLCFQPVTM-UHFFFAOYSA-N	307.350	1.672	50	20	DDGD	
O=C(C[C@@H]1CCOC1)NNC(=S)NCCc1cccs1	740177990	YIUABRPGGVEUDB-JTQLQIEISA-N	313.448	1.213	50	20	DDGD	
CC(C)CO[C@H](C)C(=O)NNC(=O)c1cc(Cl)ccc1O	920805154	IVZPWWYEVCTMQN-SECBINFHSA-N	314.769	1.868	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)[C@@H]2CCCCO2)CCc2ccccc21	843600585	FTVYKDNQGDFXRE-YOEHRIQHSA-N	302.374	1.607	50	20	DDGD	
CCc1ncc(NC(=O)NNC(=O)c2ccccc2O)cn1	757748654	KKOSSCBFDZCYCB-UHFFFAOYSA-N	301.306	1.211	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(F)cc(C(F)(F)F)c1	854924871	VVKAOOYLPQNCNZ-UHFFFAOYSA-N	309.288	1.925	50	20	DDGD	
C[S@](=O)c1ccc(CNC(=O)NNC(=O)C2CCC2)cc1	753042657	YBMJJWLAUBKAOD-NRFANRHFSA-N	309.391	1.055	50	20	DDGD	
CCC(=NNC(=O)c1cnn(C)c1)c1cc(C(=O)O)ccc1F	756889720	OYUIEAKOUFRJJQ-UHFFFAOYSA-N	318.308	1.802	50	20	DDGD	
C[C@H](O)[C@@H]1CCN(C(=O)NC[C@]2(C)C[C@@H]2Br)C1	856953592	SEZXGHCYEOMBGY-WYFGTUCQSA-N	305.216	1.572	50	20	DDGD	
O=C(NNC(=O)N1CC[C@@H]2C[C@H]2C1)c1cccc2cccnc12	852031089	XYSPWBUZXVJIML-OLZOCXBDSA-N	310.357	1.931	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)Cc2cn3ccccc3n2)o1	754060473	PLKOUZVJODHTTB-UHFFFAOYSA-N	312.329	1.168	50	20	DDGD	
C[C@@H]([C@H](C)C(=O)NNc1ccc(Cl)cn1)S(C)(=O)=O	856091130	FTRBIVFBLKNRGC-YUMQZZPRSA-N	305.787	1.247	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CC[C@@H](C2OCCO2)C1	927991427	JJMRUKUSRBEGEM-CKXDQPNJSA-N	314.341	1.521	50	20	DDGD	
CC(C)N1CCC(C(=O)NNC(=O)OCC(F)(F)F)CC1	856021125	HAWCPZHNNVQCMV-UHFFFAOYSA-N	311.304	1.427	50	20	DDGD	
CCn1ccnc1C=NNC(=O)[C@H](C)Oc1ccc(F)cc1	755561820	AGBQYOBYCCLAIH-NSHDSACASA-N	304.325	1.960	50	20	DDGD	
COc1ccc(NCC(=O)NN=Cc2nc(C)c(C)[nH]2)cc1	853263114	YFHVRWGPRCWODY-UHFFFAOYSA-N	301.350	1.597	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1c(Cl)cccc1Cl)N(C)C	750612072	QPSPJINWSSIUMK-ZETCQYMHSA-N	304.177	1.705	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc2cc[nH]c2n1	854283862	NFUXVKAJRKANEJ-UHFFFAOYSA-N	321.406	1.051	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCc2c(F)cc(F)cc21	752732304	RMVMHOXFDFMRGG-SECBINFHSA-N	312.316	1.783	50	20	DDGD	
CCNC(=O)c1ccc(NC(=O)NNC(=O)C2CCCC2)cc1	755942227	ZJRCCUZWHIOVFH-UHFFFAOYSA-N	318.377	1.779	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](C)c2nnc(C)s2)o1	759315914	LBIIKGOFBBYZDO-SSDOTTSWSA-N	309.351	1.453	50	20	DDGD	
CCc1ncc(C=NNC(=O)Cc2cc(O)nc(S)n2)s1	752160561	KMSOPXHIVFGGMD-UHFFFAOYSA-N	323.403	1.183	50	20	DDGD	
COC(=O)c1cnc(C(=O)NNc2cccnc2Cl)cn1	758322910	VMZYHXGJVPDUPN-UHFFFAOYSA-N	307.697	1.069	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cnn(-c2ccc(Cl)cc2)n1	751764028	IHDSKRWSHGAUDN-UHFFFAOYSA-N	322.756	1.273	50	20	DDGD	
Cc1cc([C@H](C)NC(=O)NNC(=O)[C@H]2CCC(=O)N2)c(C)s1	858133546	SLBVCQDRYNNJDP-GZMMTYOYSA-N	324.406	1.035	50	20	DDGD	
CCC(=NNC(=O)c1ccc2c(c1)OCO2)c1ccn(C)n1	758066101	AZCZTJNQKKGVAV-UHFFFAOYSA-N	300.318	1.693	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)N[C@H]2CCOC2)c1C	752704422	NKDGVCOTKGKSSC-OLZOCXBDSA-N	321.377	1.190	50	20	DDGD	
CCCC(=O)N1CCC[C@@H]1C(=O)NNc1ccc(Cl)cn1	856095638	QLJWFCXIYJFMLM-LLVKDONJSA-N	310.785	1.969	50	20	DDGD	
CCN(CCC#N)S(=O)(=O)NC[C@]1(C)C[C@@H]1Br	856752669	LCKWOJDXWFBFCO-UWVGGRQHSA-N	324.244	1.230	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@@H](C)c1nnnn1C1CC1	854018062	FEJIRAROOXTCBT-VIFPVBQESA-N	319.344	1.843	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc(C(C)C)cn1	854285407	KCBFAPIHKKHERN-UHFFFAOYSA-N	324.450	1.693	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)c1cn(C2CC2)nn1	859229031	HGKTZJWYGJFONO-UHFFFAOYSA-N	324.344	1.029	50	20	DDGD	
CN(C)C(=O)c1ccc(CNC[C@]2(C)C[C@@H]2Br)[nH]1	856806980	JTJQFXWNVBCTAI-AAEUAGOBSA-N	314.227	1.980	50	20	DDGD	
CCCCc1nc(C=NNC(=O)C(=O)NC2CC2)c(Cl)[nH]1	755611976	RCXHNJNBCBDCQZ-UHFFFAOYSA-N	311.773	1.134	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@]12CCCc1ccccc12)c1cc[nH]n1	855357835	QXCGCVXDZZXGRR-SUMWQHHRSA-N	310.357	1.465	50	20	DDGD	
CCCc1nc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)co1	758792309	PSDRNUWLTDSYHP-UHFFFAOYSA-N	318.289	1.610	50	20	DDGD	
CC[C@H](C)c1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1	755269268	WUGWXCQOBUNFTR-LBPRGKRZSA-N	317.389	1.584	50	20	DDGD	
CC[C@](C)(NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)C(F)(F)F	933508184	FXDTTYBCPHQDKP-RNSXUZJQSA-N	311.304	1.473	50	20	DDGD	
O=S(=O)(CBr)N1CCC=C(c2ccccn2)C1	867478284	FGNNHMAOJKDYDU-UHFFFAOYSA-N	317.208	1.853	50	20	DDGD	
C[C@H](C=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1)CCC#N	766003196	SMCSFBINSDVGLJ-GBJTYRQASA-N	308.426	1.774	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNC(=O)c2cc(C)cs2)C1	862478907	WALYIUSTRYOKAR-SNVBAGLBSA-N	309.391	1.076	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1ccc(C)cc1O	767181088	YGLVITMSNCZMPK-ZDUSSCGKSA-N	319.405	1.509	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cn(C3CC3)nn2)cc1	861566980	XHFQXVKOFYDTDI-UHFFFAOYSA-N	316.321	1.088	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)C(C)(C)c2ccccc2)nn1	932372612	AZVBNNXQDWSGPN-UHFFFAOYSA-N	301.350	1.037	50	20	DDGD	
O=C(Cc1ccncc1)NN=C1CCN(c2nccs2)CC1	764698063	FOTDAGFVWSONCQ-UHFFFAOYSA-N	315.402	1.853	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)c1cnn(C2CC2)c1	862145855	YLKOKZDMQMRPKK-UHFFFAOYSA-N	323.154	1.527	50	20	DDGD	
O=C(NC[C@H]1COCCN1)NNc1cc(Cl)ccc1Cl	861683762	ZYMFLCMKOIHULA-VIFPVBQESA-N	319.192	1.608	50	20	DDGD	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NNC(=O)C(C)(C)O	768262429	WJKWARUAUPYHLM-JHJVBQTASA-N	314.426	1.382	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2cn[nH]c2)cnn1CCC(C)C	862470364	OBOLHVMYWYZVGL-UHFFFAOYSA-N	318.381	1.290	50	20	DDGD	
CS[C@@H](C)CC(=O)OCC(=O)NNC(=O)c1ccccc1	766923468	YVPPAWIQKIVXKJ-JTQLQIEISA-N	310.375	1.132	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](C)N(CC)C(=O)OC(C)(C)C	860667840	KESYIRSZLRUVMZ-JTQLQIEISA-N	316.402	1.324	50	20	DDGD	
CCC1(CC)C(=NNC(=O)C(=O)Nc2ccccn2)C[C@H]1OC	762604993	RXAXGYDLHYZPBH-GFCCVEGCSA-N	318.377	1.717	50	20	DDGD	
Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)NNC(=O)C(C)(C)O	768261535	MNKCOWLAKWUHAM-RYUDHWBXSA-N	304.390	1.894	50	20	DDGD	
COCC(=O)NN=C1C(=O)N(Cc2ccccc2)c2ccccc21	761819677	YZOLHUQZBJQPGM-UHFFFAOYSA-N	323.352	1.700	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NOCC(F)(F)F)cc1	765989805	BZUSVJOHYDVQQV-UHFFFAOYSA-N	305.256	1.687	50	20	DDGD	
COC(=O)c1csc(NC(=O)NNc2nccnc2OC)c1	764676718	BLQVTPOVSPAIOB-UHFFFAOYSA-N	323.334	1.482	50	20	DDGD	
Cc1ncc(Br)c(C(=O)NNC(=O)CC2CC2)n1	1117773483	RVOPVYTVAGTPAZ-UHFFFAOYSA-N	313.155	1.109	50	20	DDGD	
O=C(CC1(O)CCC1)NNC(=S)Nc1cccc(Cl)c1	873786413	RBRKRFLLZFTDSB-UHFFFAOYSA-N	313.810	1.963	50	20	DDGD	
C[C@@]1(CNC(=O)NCc2cc(N)ccn2)C[C@H]1Br	1119419316	QCQAKLQRZGRUKO-PWSUYJOCSA-N	313.199	1.637	50	20	DDGD	
CCCn1c(C=NNC(=O)NCC(=O)OC)nc2ccccc21	779821496	YCKGWTVVJROVTE-UHFFFAOYSA-N	317.349	1.252	50	20	DDGD	
C[C@H](CBr)COC(=O)[C@@H](C)NC(=O)c1ccoc1	770349902	IIRVFBLVDAIGKA-RKDXNWHRSA-N	318.167	1.972	50	20	DDGD	
O=C(NN=Cc1ccc(F)nc1)c1ccc2c(c1)OCCO2	777432521	SKJAIUKYTVCCQN-UHFFFAOYSA-N	301.277	1.756	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1	878203611	BWZVUGHPORHPRS-HNNXBMFYSA-N	323.393	1.859	50	20	DDGD	
C=CCC[C@H](C(=O)NNc1nccn(C)c1=O)c1ccccc1	779381556	WDKHAGYESZGBMF-AWEZNQCLSA-N	312.373	1.973	50	20	DDGD	
Cc1cccc(NNC(=O)NCCc2cn3c(n2)CCCC3)n1	875095406	IANTXJNDPWZATK-UHFFFAOYSA-N	314.393	1.792	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)c1ccccc1)C1CCOCC1	776028985	GCNONLKJGHIQQF-OAHLLOKOSA-N	319.405	1.242	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N[C@H]1CC12CCC2	872794311	NCHQBMLUUNGNFP-NSHDSACASA-N	313.361	1.529	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C1CCC1)c1ccc(N(C)C)cc1	773627507	OJSYCZFTPJRDEZ-NSHDSACASA-N	304.394	1.944	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1c(Cl)cccc1OC	880806619	UDZASVFZPANNFN-UHFFFAOYSA-N	301.730	1.538	50	20	DDGD	
CC(C)(C)[C@H]1CCCN(C(=O)NNC(=O)c2cccnn2)C1	883852243	KAPGULSDOZXACF-NSHDSACASA-N	305.382	1.589	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccccc1Br	779820504	CAZSQWBOQSXFDA-UHFFFAOYSA-N	314.139	1.255	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](CC(=O)NNC(=O)C2CCOCC2)CCO1	883068229	MKSLRBKZYGOMKY-JSGCOSHPSA-N	312.410	1.402	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)/C=C\c2nccs2)c1	1120930601	QFHCPCMEFUHSFM-SREVYHEPSA-N	316.386	1.684	50	20	DDGD	
C/C=C(\CC)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1	789228064	PHOAZKOYHHXBFM-KGVSQERTSA-N	315.329	1.219	50	20	DDGD	
CN(NC(=O)C(=O)Nc1nc2c(s1)CCC2)c1ccccc1	789750631	MJTZZFHPMLWVNO-UHFFFAOYSA-N	316.386	1.738	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCCCl)[C@@H](O)Cc1ccccc1	882006495	PGXGJPKWRAMDDT-YPMHNXCESA-N	305.827	1.527	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNc2cncc(Cl)n2)c1	783258968	RVDJMBHBROWQMN-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
C[C@](O)(CC(=O)NNc1ncncc1Cl)c1ccccc1	781834326	UZJCRCDEJVLLCP-AWEZNQCLSA-N	306.753	1.871	50	20	DDGD	
N#Cc1cccc(C(=O)NNc2ccc(-n3ccnc3)nn2)c1	788179796	ZTZHIOBFJACYLJ-UHFFFAOYSA-N	305.301	1.291	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)n[nH]1	781709935	NQUVWZNWVGQCQX-YPMHNXCESA-N	308.382	1.320	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc2c(c1)CCC=C2	786537610	BRWMQELKBNJFOW-NSHDSACASA-N	316.357	1.749	50	20	DDGD	
COC(=O)[C@H](Cc1ccc(F)cc1)NNC(=O)c1ccccn1	783575221	VMFLHTMYUDPCIN-AWEZNQCLSA-N	317.320	1.239	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)Nc2ccnn2CC2CC2)n1	789267584	VSDWWJUQLAVPLM-UHFFFAOYSA-N	322.760	1.467	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C\c1cccc(C(=O)N(C)C)c1	899341928	NASLZSAIFRISLS-CDCQXCROSA-N	315.373	1.446	50	20	DDGD	
CC(Cc1ccccc1F)=NNC(=O)Cc1cc(O)nc(O)n1	780227090	GQYLATZTTZPBIW-UHFFFAOYSA-N	318.308	1.304	50	20	DDGD	
COCCCNC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1ccccc1	785376665	PDMWXXSBUADHPI-WDGDVPDHSA-N	316.357	1.678	50	20	DDGD	
Cc1cc(=NNC(=O)c2cc([C@H]3CCCN3C)[nH]n2)cc[nH]1	899129070	XEXHEOFEFDBRAA-CQSZACIVSA-N	300.366	1.059	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(C=O)c(C)cc2C)n1	793600849	ZEUDJZJLWGFYFH-UHFFFAOYSA-N	314.345	1.980	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=S)NCCc2cccs2)o1	794217241	GYFATCOQBGULNF-UHFFFAOYSA-N	320.399	1.564	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)c2ccc(O)c(O)c2)cc1	794551291	OBBZYKQNGPYCJR-UHFFFAOYSA-N	314.297	1.648	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCc2nc3ccccc3[nH]2)n1	794089806	KCUQQNULHQVSLT-UHFFFAOYSA-N	323.356	1.660	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2ccccc2F)cn1C	790143233	ZDJIAEMUJGKCTI-UHFFFAOYSA-N	303.293	1.715	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C[C@@H](O)c2cccc(F)c2)n1	794087815	RZXCCOCIWFZHCY-CQSZACIVSA-N	317.320	1.414	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)c1	799858020	KGHMGPKOUITVMP-IMSIIYSGSA-N	322.361	1.278	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1cc(Cl)nc(N)n1)c1cccnc1	797979508	BHVUGLUZVSGXBA-GFCCVEGCSA-N	320.784	1.990	50	20	DDGD	
COCc1nc(C(=O)NNC(C)=O)c(-c2ccccc2)s1	799519114	YLFRZTMAWIEJKT-UHFFFAOYSA-N	305.359	1.737	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNc2nc3ccccn3n2)cc1	791262305	RMYRLVDDXNBMDZ-UHFFFAOYSA-N	308.301	1.123	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1ccccc1-n1ccnn1	794887080	DPSHKJYANFJUOP-UHFFFAOYSA-N	307.317	1.211	50	20	DDGD	
C[N+](C)(C)CC(=O)NN=C1CCCC[C@H]1N1CCCCCC1	794456128	IFIACEGHZJNTLS-MRXNPFEDSA-O	309.478	1.983	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1ccccc1-n1cncn1	794958027	WMEQSNFXGFNRGU-GHXNOFRVSA-N	303.347	1.023	50	20	DDGD	
CC[C@H](C)n1ncc(NC(=O)NNC(=O)c2cnn(C)c2)c1C	792484235	ZIAOEFBKMQTEDT-VIFPVBQESA-N	319.369	1.363	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2[nH]ccc2C)c1	797790841	HDVPKIMQNPPWGS-UHFFFAOYSA-N	303.318	1.415	50	20	DDGD	
CC(C)CO[C@@H](C)C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1318085226	OXURWOFGXHDYFE-JTQLQIEISA-N	308.382	1.111	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)NNc1ccncn1	1324543734	NRDBZZYHPICMDO-IAZYJMLFSA-N	319.365	1.033	50	20	DDGD	
Cc1nnc(NNC(=O)c2cnnc(-c3ccccc3)c2)nc1O	1323878710	FUWUVXKPHABCBM-UHFFFAOYSA-N	323.316	1.100	50	20	DDGD	
Cc1ncccc1CC(=O)NNC(=O)Cn1ccc2ccccc21	1323544187	AAFFYMNQOQZHMR-UHFFFAOYSA-N	322.368	1.735	50	20	DDGD	
Cn1ccc(NNC(=O)c2cccc(N3CCOC3=O)c2)n1	1320978453	MESGMVOTNGAFCM-UHFFFAOYSA-N	301.306	1.134	50	20	DDGD	
COc1cccc(C[C@H](O)C(=O)NN=c2cc[nH]cc2Cl)c1	1255532385	ZLQKQFHUUSFCAA-AWEZNQCLSA-N	321.764	1.212	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]c1=S)[C@@]1(F)CCOC1	1331791717	QHGMSDKFMONUMP-CYBMUJFWSA-N	308.338	1.864	50	20	DDGD	
C[C@H](O)Cc1cn([C@]2(Cl)C[C@@H]2CCBr)nn1	1336895229	HHMWBMIVHMVTPG-OYNCUSHFSA-N	308.607	1.898	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@@H]2CCCC[C@H]2C1	1261454841	SPLKVPLDVOPNEX-XUXIUFHCSA-N	309.410	1.664	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cn(C2CCOCC2)nn1	1347371648	FGIYKJDHWCPZKT-UHFFFAOYSA-N	302.338	1.090	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCCC[C@@H]1CN1CCCC1=O	1520379698	CAVUXWJXXTVZED-XTZCOPOCSA-N	305.378	1.434	50	20	DDGD	
CC(=O)c1cn(CC(=O)OC[C@@]2(C)C[C@H]2Br)nn1	1526044766	MRGWURHBWMYGBB-MWLCHTKSSA-N	316.155	1.197	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@@H]1COc2ccccc2O1	1606529109	ZDVFXIDTSNJWLP-LBPRGKRZSA-N	315.285	1.063	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@]2(C(=O)O)C[C@H]2c2ccccc2)nc1	1601107947	SYHRHIPEMGYYBS-SUMWQHHRSA-N	322.324	1.655	50	20	DDGD	
Cc1cc(C#N)c(O)nc1C(=O)NNc1ccccc1C(=O)O	1600073775	ZNFLXQCVZHPPSL-UHFFFAOYSA-N	312.285	1.422	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccc(C(=O)O)cc2F)c1Cl	1608155491	IWMUFERPIKJHAQ-UHFFFAOYSA-N	312.688	1.668	50	20	DDGD	
CC(C)[C@H]1C[C@@H]1C(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1603751458	HWBPUDFWAGTNPJ-MNOVXSKESA-N	311.407	1.872	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2ccc(/C=C\C(=O)O)o2)c1	1600648590	UXSBOHGPVOHTKB-HYXAFXHYSA-N	320.326	1.822	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@H]1CCC[C@@H](C(=O)O)C1	1601803785	RDBINTOSIDZVIT-NKWVEPMBSA-N	318.242	1.696	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)cc1	1602128279	QXFPMLMHEQKKFK-YNEHKIRRSA-N	305.334	1.260	50	20	DDGD	
Cc1c(CNC(=O)NNc2cccc(C(=O)O)c2)cnn1C	1600011269	CPOGPFMEKGDXSR-UHFFFAOYSA-N	303.322	1.253	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](C(=O)O)C(C)C)c(F)c1	1604390624	BXHFDOJTVFMLGI-LLVKDONJSA-N	312.297	1.412	50	20	DDGD	
O=C(NN=C1CCOC2(CCC2)C1)[C@@H]1CN2CCC[C@H]2CO1	1549314950	NXVWULFDBQPZOE-KBPBESRZSA-N	307.394	1.055	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](N)CCCC#N)c1F	1578877719	IOQIQUCHWQUHAA-SNVBAGLBSA-N	308.313	1.077	50	20	DDGD	
CS(=O)(=O)c1ccc(NNC(=O)/C=C\[C@@H]2CCCNC2)cc1	1579351285	HFMRZBSDMUCECI-REPPVQDKSA-N	323.418	1.089	50	20	DDGD	
O=C(NNc1ncccc1Br)[C@H]1CCCCCN1	1580742904	JDQVOHSQYTURQR-SNVBAGLBSA-N	313.199	1.819	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1cc(Cl)c(Cl)cc1O	1589012484	NPUNVFZJUFQFKG-UHFFFAOYSA-N	320.132	1.807	50	20	DDGD	
CC1(C)CC[C@H]1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1590091854	AGGWSJCKERNIEN-NSHDSACASA-N	314.349	1.064	50	20	DDGD	
CC[C@H](C(=O)O)C(=O)NNc1cc(Cl)nc2ncccc12	1594755744	QFURTDMLEVVARI-ZETCQYMHSA-N	308.725	1.837	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)OC(C)(C)C)cc1-c1nn[nH]n1	1592128199	CVEPAFHNTJROMN-UHFFFAOYSA-N	318.337	1.345	50	20	DDGD	
CNc1ncccc1C(=O)NNc1ccc(CC(=O)O)cc1	1598681965	RSHUZIPONWKILI-UHFFFAOYSA-N	300.318	1.507	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)[C@@H]1CO[C@@H](CCC(=O)O)C1	1594310330	NUFKXNQZPQHIML-JQWIXIFHSA-N	310.325	1.847	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cccc(C(=O)O)n2)c1	1598999504	JGEZZWVYJSKAIV-UHFFFAOYSA-N	315.285	1.323	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=C1CCCc2oc(C(=O)O)c(C)c21	1776102357	NYONRQFCLTWALR-BXKDBHETSA-N	320.345	1.868	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCN1C(C)(C)C)c1ccc(C(=O)O)o1	1776098571	PIZZLXBHJAJQOT-SNVBAGLBSA-N	307.350	1.691	50	20	DDGD	
Cn1ncc(C(=O)O)c1C=NNC(=O)Nc1cc(F)cc(F)c1	1776079830	LWNMVOMLOOJODX-UHFFFAOYSA-N	323.259	1.552	50	20	DDGD	
O=C(NN=C1CC[C@H](C(=O)O)c2ccccc21)c1cnsn1	1776105001	KUJPJIQZXZDNPS-JTQLQIEISA-N	316.342	1.634	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccc(Cl)c(C)c2)[nH]n1	5818181	FGNYHRBGPXMQES-UHFFFAOYSA-N	322.752	1.520	50	20	DDGD	
CCCCNc1ccc(S(N)(=O)=O)cc1NC=C(C#N)C#N	15242727	ZKVBQAGXIMCFSO-UHFFFAOYSA-N	319.390	1.889	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1ccc([N+](=O)[O-])cc1	17394559	GKOBKOSBNTUZPW-UHFFFAOYSA-N	317.276	1.738	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccoc2)cc1	18071817	IPQSXRUJLYYIDR-NSHDSACASA-N	318.329	1.907	50	20	DDGD	
O=C(NNc1nc2ccccc2s1)C(=O)Nc1cccnc1	158150079	YZALXSGCDDMZGN-UHFFFAOYSA-N	313.342	1.773	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@H](c1ccccc1)C1CC1	152495970	WHXNQAKAMAYECJ-QGZVFWFLSA-N	309.369	1.965	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc2c(c1)CCC2	154054171	NCBXCQTXXPJMLT-UHFFFAOYSA-N	309.460	1.647	50	20	DDGD	
O=C(NNc1cccc(F)c1)[C@H]1CC(=O)N(Cc2ccco2)C1	154442054	YCYKKKWEMCEHPB-NSHDSACASA-N	317.320	1.911	50	20	DDGD	
CCCCNC(=S)NNC(=O)c1cc(Cl)ccc1O	6853400	VYTKKRLEOFNVSK-UHFFFAOYSA-N	301.799	1.955	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cccc(Br)c1	6879842	JIOCNXQSIPRQKU-UHFFFAOYSA-N	300.156	1.803	50	20	DDGD	
CCn1nc(C(=O)NNC(=O)CC(C)C)c2ccccc2c1=O	6928570	HRSPHSADOULUGU-UHFFFAOYSA-N	316.361	1.224	50	20	DDGD	
O=C(COC(=O)CCc1ccco1)NNC(=O)c1ccccc1	7290432	CMYQSJYIOQABTA-UHFFFAOYSA-N	316.313	1.217	50	20	DDGD	
CCC(CC)N1C[C@@H](C(=O)NNc2nc(C)cc(C)n2)CC1=O	170922126	RURDAKUIQMJJKI-LBPRGKRZSA-N	319.409	1.574	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)CCNc1ccccc1[N+](=O)[O-]	103198552	WUXVRUKHMQNMQQ-UHFFFAOYSA-N	322.365	1.980	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(N2CCSCC2)cc1C	51673615	IDXBAGHAKXMPBH-UHFFFAOYSA-N	324.406	1.941	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)C1(c2ccc(F)cc2)CCC1	106417007	BCIAZBYXZDPLAT-UHFFFAOYSA-N	316.336	1.361	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)NCCSC)cc1C	1346510192	WUXPDQQXIUGHNK-UHFFFAOYSA-N	313.448	1.476	50	20	DDGD	
C[C@]1(NC(=O)NNc2cc(F)c(F)c(F)c2)CCOC1=O	1349778420	KLRWRVZCBQKGGD-LBPRGKRZSA-N	303.240	1.436	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	1349068738	MPTKCMQPEBSNHL-TZMCWYRMSA-N	305.378	1.293	50	20	DDGD	
CCc1ccc(C(C)(C)C(=O)NNC(=O)C(=O)NC(C)C)cc1	175075806	GZGSTFWPBYTGBN-UHFFFAOYSA-N	319.405	1.199	50	20	DDGD	
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NNc1cnccn1	114879366	NFUISIGUDWKLMC-OAHLLOKOSA-N	323.356	1.884	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2COc3ccccc3C2)o1	176420502	YSLXQFDJFUDIRO-LBPRGKRZSA-N	315.329	1.536	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCCC[S@](C)=O)cc1	171850088	PGTUYNPKUTVQQN-FZNBYNMYSA-N	320.414	1.877	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1cccc(CN2CCOCC2)n1	179781888	WGGKIZINRYITRI-ACCUITESSA-N	316.361	1.296	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(F)c(F)c(F)c1)N1CCN(C)CC1	175483954	OEIYLLTXDAGVDA-VIFPVBQESA-N	316.327	1.183	50	20	DDGD	
C=C1c2ccccc2C(=O)N1CC(=O)NNc1cc(C)nc(C)n1	128663815	VRHDFJUTYHZLJE-UHFFFAOYSA-N	323.356	1.663	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1c(C)cc(C)cc1C	124792657	KLZJMFNWAVPRNG-JTQLQIEISA-N	305.378	1.744	50	20	DDGD	
C[C@@H]1CCN(C(=O)NNC(=O)c2cccc(C#N)c2)C[C@@H]1C	127053507	HVWCWRBNBVIZDP-NEPJUHHUSA-N	300.362	1.891	50	20	DDGD	
C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)c1ccc[nH]1	122890326	YBWQTMUFONXSAG-VIFPVBQESA-N	307.737	1.897	50	20	DDGD	
CS(=O)(=O)Cc1ccc(C(=O)NNc2ccccc2)cc1	70716710	SRDSTISKILPFRP-UHFFFAOYSA-N	304.371	1.988	50	20	DDGD	
O=C(CCCNC(=O)c1ccc(F)cc1)NNc1cccnn1	77034862	IDENQPSXYVCFBC-UHFFFAOYSA-N	317.324	1.269	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)c3csnn3)cc2C1	79282389	IMQCXXLRUPVGBJ-ZETCQYMHSA-N	322.415	1.799	50	20	DDGD	
CCCc1cc(NC(=O)NNC(=O)c2ccccc2)n(C)n1	182152927	CVYWQACZWBGSCI-UHFFFAOYSA-N	301.350	1.839	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1n[nH]c2c1CCC2	122984703	HIFWFLXQCWMHFB-UHFFFAOYSA-N	319.390	1.147	50	20	DDGD	
CSCCCNC(=O)NNC(=O)c1c(C)nc2ccccn12	77669144	DDAJONVOMOUOFT-UHFFFAOYSA-N	321.406	1.340	50	20	DDGD	
C[C@H](NC(=O)NNc1cccnn1)[C@@H]1CCCN(C2CCC2)C1	182956117	GUECJZHHDPZGPJ-QWHCGFSZSA-N	318.425	1.756	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNc1ccc(C#N)c(Cl)c1	182391880	FPMHGBVXRJKWFK-UHFFFAOYSA-N	308.769	1.817	50	20	DDGD	
C=CCOc1ccccc1C(=O)NNc1nccnc1OC	131936529	ARAPMGDCNQUVQE-UHFFFAOYSA-N	300.318	1.807	50	20	DDGD	
Cc1ccc(Cc2nc(C(=O)NN(C)C(N)=O)cs2)cc1	182649082	AABFAQXCAZZPEJ-UHFFFAOYSA-N	304.375	1.698	50	20	DDGD	
O=C(NCCC[C@@H]1CCCCO1)NNC(=O)c1ccccc1	186320345	PKCLZXKSFYZOJB-AWEZNQCLSA-N	305.378	1.980	50	20	DDGD	
CS[C@H]1CCCCN([C@@H](C)C(=O)NNC(=O)CC(C)C)C1	134591202	PWRLFXVKMVDVGU-STQMWFEESA-N	315.483	1.786	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2c(C)nc3ccccn23)oc1C	134044599	HGMWSERLQXGWNF-UHFFFAOYSA-N	312.329	1.927	50	20	DDGD	
C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNc1cnccn1	133354047	JOBXKLUFVLVBSV-SECBINFHSA-N	319.752	1.392	50	20	DDGD	
CCc1nnsc1C(=O)NNC(=O)c1ccc(Cl)cc1	198241780	GYJTZTWMQGJJKR-UHFFFAOYSA-N	310.766	1.829	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNc1ncnc2ccsc12	132660161	IAKXXZGWGPMEGO-UHFFFAOYSA-N	307.379	1.297	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@H]2SCCc3sccc32)cn1	80356228	WEQFATJWUGKVSC-NSHDSACASA-N	322.415	1.273	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1ccc(-n2ccnn2)cc1	89640165	LXUYTUWUYNIFLG-UHFFFAOYSA-N	323.312	1.048	50	20	DDGD	
O=C(Cc1ccc(-n2cccn2)cc1)NNC(=O)c1ccc[nH]1	97326907	QHGYJJLAEHESRC-UHFFFAOYSA-N	309.329	1.204	50	20	DDGD	
COCC[C@@H](C)NC(=O)NNC(=O)COc1cc(C)cc(C)c1	263734576	NMHDPKHJUCGPBU-CYBMUJFWSA-N	323.393	1.438	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)CCn1cc(Cl)cn1)C1CC1	267570358	DEXLSPOEUSXMJL-MRVPVSSYSA-N	315.830	1.220	50	20	DDGD	
CCCc1nnc(S)n1CC(=O)NNc1ccc(OC)cc1	266982020	DPWRIIVTNJIGAI-UHFFFAOYSA-N	321.406	1.671	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NNc2nc(C)cc(C)n2)C1(C)C	271761298	BHKXRFOMFJTVHT-QJPTWQEYSA-N	307.398	1.779	50	20	DDGD	
N#CC1(C(=O)NNc2ccc(-n3ccnc3)nn2)CCCCC1	278556309	HDLXUNKPQIOFMK-UHFFFAOYSA-N	311.349	1.579	50	20	DDGD	
C#CCCN1CCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)CC1	273128198	PDFFUOWXQWXJCM-DTQAZKPQSA-N	311.360	1.900	50	20	DDGD	
CN(CC(=O)O)S(=O)(=O)c1ccc(CCCCl)cc1	270434637	IYNTYNBOQZYBDS-UHFFFAOYSA-N	305.783	1.563	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C2Cc3ccccc3C2)cc1	278283061	WWIMIZZGRUNFBO-UHFFFAOYSA-N	323.396	1.969	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H](C)c2nnc3n2CCC3)n1	272585572	QFXNRXJXBXNSCD-SECBINFHSA-N	317.353	1.015	50	20	DDGD	
CCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	283824172	ZXAJECSUADVANF-QMMMGPOBSA-N	317.292	1.866	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(C)n(Cc2ccccn2)c1C	286224654	FUFBELQUSBNXEY-UHFFFAOYSA-N	316.361	1.891	50	20	DDGD	
Cc1c(CCC(=O)NNc2cccc(F)c2[N+](=O)[O-])cnn1C	280720040	UIVSBOOHDYSIAG-UHFFFAOYSA-N	321.312	1.852	50	20	DDGD	
COC(=O)Cc1occc1C(=O)NNC(=O)CC1CCCC1	289781331	LHAVTMWTNJSQGT-UHFFFAOYSA-N	308.334	1.336	50	20	DDGD	
COC(=O)[C@H]1CC[C@H]1C(=O)NNc1cnc2ccccc2n1	285992675	GNSVTFCLVFKPIJ-ZJUUUORDSA-N	300.318	1.272	50	20	DDGD	
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NNc1ncccc1F	286885489	DOAZJYGWMWFHFG-NEPJUHHUSA-N	309.389	1.967	50	20	DDGD	
COCCCONC(=O)NNC(=O)c1cccc2ncccc12	288008974	LXILJGDNJLTHHB-UHFFFAOYSA-N	318.333	1.147	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2coc(-c3ccccc3)n2)O1	294157720	HYGHWXJNPOHJSQ-GWCFXTLKSA-N	315.329	1.670	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@H]3CCCN3C)cc2C1	299502409	ICRMDESSFWLYDK-ZYHUDNBSSA-N	321.446	1.728	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc(Cl)ncc2Cl)O1	293783907	BRVCKUPMCJEIOX-RCOVLWMOSA-N	318.160	1.717	50	20	DDGD	
O=C(CO[C@H]1CCCc2ccccc21)NNC(=O)[C@@H]1CCCO1	292136787	LXHTVYIVECTMLE-GJZGRUSLSA-N	318.373	1.407	50	20	DDGD	
Cn1nc(NC(=O)C(=O)NNc2ccc(F)cc2)cc1C1CC1	290928482	YICYJYLYXULPPO-UHFFFAOYSA-N	317.324	1.518	50	20	DDGD	
Cc1cc(-n2cncn2)ccc1C(=O)NNc1ncccc1F	804215954	MNQPQOIHOVBDPB-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NNC(=O)CC2CC2)c1	294042846	FDXPWGSXSQEGRC-GXTWGEPZSA-N	318.373	1.755	50	20	DDGD	
C/C=C(\CC)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	291313437	UBHJIUPBPQMDFL-VZUCSPMQSA-N	311.407	1.736	50	20	DDGD	
C[C@H](C(=O)NNc1ncc(F)cc1F)N(C)CC(F)(F)F	297053263	VOFOYJKRMVVPSL-ZCFIWIBFSA-N	312.242	1.686	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccc(-n3ccnc3)nn2)c(O)c1C	804956783	FHMDCSNFTBLJLY-UHFFFAOYSA-N	324.344	1.742	50	20	DDGD	
CCc1cncc(C(=O)NNc2ccc(-n3ccnc3)nn2)c1	804953164	DZSMQWXIYVAROI-UHFFFAOYSA-N	309.333	1.377	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2ccc(O)nn2)c(Cl)c1	802050174	QARVFOWPOJDVFT-UHFFFAOYSA-N	321.724	1.611	50	20	DDGD	
CC(C)=CCC[C@H](C)NC(=O)NNC(=O)C(=O)N1CCCC1	298002018	DEGWVYOWUOZBRG-LBPRGKRZSA-N	310.398	1.074	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1cnc2sccn2c1=O	804766485	JALTZYRORCCCAB-UHFFFAOYSA-N	305.294	1.047	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc2oc(O)nc2c1	807253181	ZHPIFKFOQSYIMZ-UHFFFAOYSA-N	301.262	1.089	50	20	DDGD	
Cc1cc(=O)cc(C)n1CCCC(=O)NNc1ncncc1F	817080634	WVQJPQJCNTVCOQ-UHFFFAOYSA-N	319.340	1.318	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1ccc([N+](=O)[O-])cc1Cl	814956059	ITXSDPDFFHWGBO-UHFFFAOYSA-N	307.697	1.664	50	20	DDGD	
CCOc1ccc(NNC(=O)c2ccc(-n3ccnc3)nn2)cc1	817905045	XUSQGPOZDZXWMP-UHFFFAOYSA-N	324.344	1.818	50	20	DDGD	
CNC(=O)NN=C(C)CCc1ccc(O[C@H](C)C(=O)O)cc1	814814525	NVVPHQAUIMCMOO-LLVKDONJSA-N	307.350	1.776	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)CC1(F)F	817600005	KCFAGIGCPNVHSU-GFCCVEGCSA-N	313.260	1.613	50	20	DDGD	
CC(=NNC(=O)c1c(C)nc2ccccn12)c1csc(N)n1	812388214	YBYUTASRJBHFGA-UHFFFAOYSA-N	314.374	1.835	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2	819122533	CSSWSEYNCQPKKZ-YJFSRANCSA-N	306.284	1.290	50	20	DDGD	
O=C(CCc1cncs1)NNC(=O)COc1ccccc1F	814363734	QBNJPJUAXBQUDW-UHFFFAOYSA-N	323.349	1.441	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNC(=O)NC2CCCC2)nc1	815136923	HRKQAJDVQTVVRF-UHFFFAOYSA-N	320.349	1.145	50	20	DDGD	
Cc1nnc(-c2cccc(C(=O)NNc3ncncc3F)c2)o1	817081885	GOAVZVGUPYFXSX-UHFFFAOYSA-N	314.280	1.731	50	20	DDGD	
C=Cc1ccc(CCNC(=O)NNC(=O)Cc2ccncc2)cc1	812921832	SNUGXSRKCIOYER-UHFFFAOYSA-N	324.384	1.840	50	20	DDGD	
Cc1csc(CC(=O)NN=C2CC[C@H](C(=O)O)[C@@H](C)C2)n1	814778987	BBWOQCISWAFMME-KWQFWETISA-N	309.391	1.987	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)[C@@H]1CCCSC1	810353399	GGKULXMLBQQCPU-CYBMUJFWSA-N	317.414	1.932	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NC[C@H]2CCCCO2)c1	728953438	PMEVGQMETCTEFL-CYBMUJFWSA-N	302.334	1.071	50	20	DDGD	
CCCCNC(=O)NNC(=O)/C=C\c1ccc(O)c(OCC)c1	492521866	NLQMCDABOIEKPN-CLFYSBASSA-N	321.377	1.935	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C2(C(C)C)COC2)cc1	823892019	JYDFQGLIYVAIPA-UHFFFAOYSA-N	306.362	1.518	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)N[C@H]1C=CCC1	821091768	FUGMCLUPNVHBPW-MNOVXSKESA-N	307.325	1.642	50	20	DDGD	
O=C(NNc1ncccc1Cl)c1ccc(-c2nn[nH]n2)[nH]1	826450076	WJFCOILOUMEUKJ-UHFFFAOYSA-N	304.701	1.000	50	20	DDGD	
O=C(NNc1c(F)cccc1F)c1ccc(-c2nn[nH]n2)s1	823280626	DWSWSIKWQSUULZ-UHFFFAOYSA-N	322.300	1.963	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)C1(C(F)(F)F)CC1	826447494	ICBSXVWAPNQYDD-UHFFFAOYSA-N	312.255	1.652	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCc2nnc(O)cc2C1	491162178	QWZZXNRQRFUXCD-GHXNOFRVSA-N	322.324	1.380	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)C1(OCc2ccccc2)CCOCC1	823947112	SOIYVZUWUBCQIU-CQSZACIVSA-N	322.405	1.096	50	20	DDGD	
CCCC[C@@H]1CCCC1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	727256358	YOOLOAVSHWTWKZ-VXGBXAGGSA-N	315.439	1.819	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CCCC2)c(N)c([N+](=O)[O-])c1	729519460	DMXNANHASFOTFQ-UHFFFAOYSA-N	306.322	1.437	50	20	DDGD	
CN1CCCC[C@@H](C(=O)NNc2ccc3ccccc3n2)C1=O	821739554	YTUDLUZEWUWPMF-ZDUSSCGKSA-N	312.373	1.936	50	20	DDGD	
C[C@@H](O)CN(CC(F)F)C(=O)/C(C#N)=C/c1ccc(O)cc1	491080824	FMZLWFNJSAORSP-HAAVITCDSA-N	310.300	1.774	50	20	DDGD	
CCCNC(=O)NNC(=O)c1sc(Br)nc1C	823950183	FKFLSEWRRHEEIY-UHFFFAOYSA-N	321.200	1.568	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21	826056506	VPANTGKSPKIQAV-QLFBSQMISA-N	317.389	1.722	50	20	DDGD	
C[C@H]1[C@@H](NCc2ccccc2B(O)O)CCN1Cc1ccccc1	585040215	CBCJLUVJFCPMIB-KXBFYZLASA-N	324.233	1.119	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2cccc(CC(=O)O)c2)n1	820972498	OQCRBEKCKAIUJW-UHFFFAOYSA-N	315.333	1.869	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCCC[C@H]1COC(=O)NC1CC1	491105501	QDHHGZOPDASBLH-HCYCVZQXSA-N	321.377	1.700	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1CC[C@H]2CCCCN12	900643209	BDGOTKUBRJTSQB-OCCSQVGLSA-N	317.389	1.473	50	20	DDGD	
O=C(c1ccc2ccc(Cl)cc2n1)N1CC[C@H](B(O)O)C1	585064524	HHZNHJIONBFTPZ-JTQLQIEISA-N	304.542	1.577	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H]1C[C@@H]1c1cc(OC)ccc1OC	492751250	XKXCLNYVHCFAIN-PWSUYJOCSA-N	308.334	1.585	50	20	DDGD	
O=C(CSC1CC1)NNC(=O)c1cnn(-c2ccccc2)c1	823314929	MSQOGRLQAVMKIV-UHFFFAOYSA-N	316.386	1.529	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@]1(C)CCOc2ccccc21	823476431	XXUBBTOYQXBLJL-PRXAMGSTSA-N	318.373	1.299	50	20	DDGD	
C[C@H]1CCC[C@](CNC(=O)NNC(=O)C2CCC2)(N(C)C)C1	732450015	MZFULSSSMKZSDJ-LRDDRELGSA-N	310.442	1.627	50	20	DDGD	
Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2cccc(B(O)O)c2)c1	584959989	NGYNUIPKKIXCBI-SFHVURJKSA-N	323.201	1.961	50	20	DDGD	
C[C@@H]1C[C@@H]1[C@H](NCc1ccc(B(O)O)cc1F)c1ccccc1	585023976	RIKDOJWXCNTJQK-PZPSRYQVSA-N	313.181	1.992	50	20	DDGD	
C[C@]1(C(=O)NCCOCC(F)(F)F)C[C@H]1Br	905835870	UUJOEWDBAIZIBR-SVRRBLITSA-N	304.106	1.855	50	20	DDGD	
CC(=O)NNC(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2	495993603	QMTNWXDQCUPCAC-NSHDSACASA-N	311.382	1.191	50	20	DDGD	
C[C@@H](CCC1CCCC1)NC(=O)c1cc(B(O)O)ccc1F	584948203	APRZKCUYCYWCFU-NSHDSACASA-N	307.174	1.594	50	20	DDGD	
CN(CC(=O)NNC(=O)C1CC1)Cc1csc2ccccc12	733194427	QUGBLGUHFLDDQR-UHFFFAOYSA-N	317.414	1.891	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc(C)nc1C1CC1	836782488	VNFOKRKVLWQNAJ-UHFFFAOYSA-N	324.475	1.739	50	20	DDGD	
O=C1[C@@H](NS(=O)(=O)CCl)CCCN1c1ccccc1F	830976367	DRVTXEPZUALMHP-JTQLQIEISA-N	320.773	1.437	50	20	DDGD	
COc1ccc(NNC(=O)CCCNC(=O)O)cc1Cl	833733656	WZFTUPNVFAZCNO-UHFFFAOYSA-N	301.730	1.840	50	20	DDGD	
CCO[C@H]1C[C@H](NCC(=O)NNC(=O)C(C)(C)C)C12CCC2	831314144	GHLCVUKYBHPOLV-RYUDHWBXSA-N	311.426	1.117	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cc3c(cn2)CCC3)n1	836702084	LCDZMRBDFKBYCW-UHFFFAOYSA-N	300.322	1.518	50	20	DDGD	
C[C@]1(C(=O)NCCCNc2ncccn2)C[C@H]1Br	906447984	JGDCJSBLPMDJKC-SKDRFNHKSA-N	313.199	1.568	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cnc2c(c1)CCCC2	831625928	LLBRJIAYVPEXQQ-MFKMUULPSA-N	318.377	1.538	50	20	DDGD	
COc1cc(C#N)ccc1NC(=O)NNC(=O)[C@H]1CCCCO1	836519743	HWHDYTPCBYQLMY-GFCCVEGCSA-N	318.333	1.289	50	20	DDGD	
CSc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	831161387	XREUXJKDNHVOQB-JOYOIKCWSA-N	309.391	1.986	50	20	DDGD	
CC(=O)c1cc(NC(=O)NNC(=O)[C@H]2CCCCO2)ccc1F	836613860	URKQALDCEHGWAO-CYBMUJFWSA-N	323.324	1.750	50	20	DDGD	
CO[C@@H]1C[C@H](N(C)S(=O)(=O)CBr)C12CCC2	832529907	RCPHIHJKDZWSNL-DTWKUNHWSA-N	312.229	1.558	50	20	DDGD	
O=[N+]([O-])c1cnc2c(F)c(F)ccc2c1N1CC[C@@H](B(O)O)C1	585078680	JOXMUPYNCAHGHI-SSDOTTSWSA-N	323.064	1.474	50	20	DDGD	
C#CCCCOC(=O)/C(C#N)=C\c1cc(-c2nn[nH]n2)n(C)c1C	735374381	BMCKCULQHOPYOW-JYRVWZFOSA-N	324.344	1.377	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCCO1)c1cccc(OCC(=O)O)c1	834987804	BULJWJMLCJDKIW-CQSZACIVSA-N	320.345	1.559	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](C)Cc1ccc(OCC)cc1	839719138	ZQSYQCBMLBVTRA-GFCCVEGCSA-N	307.394	1.956	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc(F)cc([N+](=O)[O-])c1	731453819	PDVMEBFRKSZOGU-UHFFFAOYSA-N	306.253	1.147	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)cc1)[C@H]1C[C@H]2CC[C@H]1O2	834936269	UPBUQHCETWHKJD-RBSFLKMASA-N	315.373	1.993	50	20	DDGD	
CN(C(=O)c1cccc(B(O)O)c1)[C@H]1CCC[C@H]1c1ccccc1	585000158	ZONGEJXDJHARQB-ROUUACIJSA-N	323.201	1.775	50	20	DDGD	
Cc1ccc([C@H](C)N(C)C(=O)c2ccc(B(O)O)cc2)c(C)c1	584928075	NCRXFEVBJFLVPE-AWEZNQCLSA-N	311.190	1.816	50	20	DDGD	
CCc1cc(CNC(=O)NNC(=O)c2ccccc2F)n[nH]1	738479309	FWIKBBADANFRTL-UHFFFAOYSA-N	305.313	1.255	50	20	DDGD	
C=C(C)CCNC(=O)NNC(=O)COc1ccccc1OC	836192285	VBNVWLJBLAUHFM-UHFFFAOYSA-N	307.350	1.371	50	20	DDGD	
CCOC(=O)[C@]1(NS(=O)(=O)CCl)CCc2ccccc21	830519499	HITPEALNVHPUNG-ZDUSSCGKSA-N	317.794	1.507	50	20	DDGD	
Cn1c(=NNC(=O)[C@H](O)c2ccccc2)sc2ccccc21	735880105	NFPIKZXQIXIMHY-CQSZACIVSA-N	313.382	1.905	50	20	DDGD	
O=C(OCc1ccccc1)[C@@H]1CCCN1S(=O)(=O)CCl	830439382	DQECCLJRQGZPMB-LBPRGKRZSA-N	317.794	1.720	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1ccccc1Br	916359000	DFHWPMAURXOAJC-UHFFFAOYSA-N	324.178	1.522	50	20	DDGD	
Cc1[nH]ccc(=NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1Cl	831620588	DYGQYOMWDJTJTD-IUCAKERBSA-N	312.757	1.043	50	20	DDGD	
CC1(C)CCC[C@@H]1CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	838626384	VIZBQRNXDDRDES-RISCZKNCSA-N	317.455	1.194	50	20	DDGD	
O=C(NNC(=O)N[C@@H]1CCCNC1)Nc1ccc(Cl)cc1	841942250	XXMQIRFIYPZZJD-LLVKDONJSA-N	311.773	1.428	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C1CCCN2CCCC[C@H]12	848404564	VPGOHGUBINMZRI-CYBMUJFWSA-N	318.377	1.130	50	20	DDGD	
C[C@H](CCNC(=O)NNC(=O)c1ncccn1)CC(C)(C)C	841579880	CBGHJIDDOHIACB-LLVKDONJSA-N	307.398	1.883	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H]2CCc3ncncc3C2)c1	843835468	WAQHIRHFFUZTNZ-JTQLQIEISA-N	316.336	1.873	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1nc(Cl)ccc1F	843663491	XVMFYBADUJSOJA-RNFRBKRXSA-N	301.705	1.060	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)Cc2cccnc2)CCc2ccccc2C1	742635351	LRRHLQDPCDDUKG-LJQANCHMSA-N	323.396	1.967	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccc2c(c1)OCO2	843660110	KPSXQKMBWZHCST-HOSYDEDBSA-N	320.345	1.091	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cnc2ccsc2c1	743822245	ASCGBPPPEHTVAS-UHFFFAOYSA-N	318.280	1.803	50	20	DDGD	
COc1cccc([C@H](C)CC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	843653920	OZOALVLXEBANIX-LALPHHSUSA-N	320.389	1.761	50	20	DDGD	
CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)NN)CC1	841774588	MKHODYYQCDWNOB-NSHDSACASA-N	309.389	1.202	50	20	DDGD	
Cc1ccn(-c2ccc(C(=O)NNC(=O)C(C)(C)C)cc2)n1	917180811	YFLUIGARJRKMGH-UHFFFAOYSA-N	300.362	1.988	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cccc(OCc2cscn2)c1	910178351	AAWFNPZYGVBKPI-NSHDSACASA-N	321.402	1.680	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1C(=O)C1CC1	843832084	QEKKAURPAYYADY-ZDUSSCGKSA-N	318.333	1.439	50	20	DDGD	
O=C(NNC(=O)c1ccc2nncn2c1)c1ccc(Cl)cc1	749388960	JNBZLWDPWGQJGW-UHFFFAOYSA-N	315.720	1.458	50	20	DDGD	
CC(C)(C)OC(=O)CCCNC(=O)NNC(=O)c1ccccc1	745931918	ROZRVKNYGSHSOT-UHFFFAOYSA-N	321.377	1.753	50	20	DDGD	
Cc1nc(C(=O)NNc2ncnc3[nH]cnc23)c2ccccn12	743471393	DZQOUYHAIORHMC-UHFFFAOYSA-N	308.305	1.066	50	20	DDGD	
Cc1ccsc1CCCC(=O)NNC(=O)[C@H]1CCO[C@H]1C	843663688	XZCANXMVWRHXJM-RYUDHWBXSA-N	310.419	1.952	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c(C)[nH]1	914747731	HRMNEHPJMBPUBT-UHFFFAOYSA-N	301.302	1.435	50	20	DDGD	
Cc1nnc(CNC(=O)NC[C@]2(C)C[C@H]2Br)s1	856847952	ZBROAONVUOUTNG-XCBNKYQSSA-N	319.228	1.819	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(-c2nnc(C)o2)cc1	746163908	AWNVYFSVDPLLJF-UHFFFAOYSA-N	317.349	1.789	50	20	DDGD	
CN(NS(=O)(=O)c1ccccc1O)C(=O)OC(C)(C)C	849398665	AKDFRANRZWQZEI-UHFFFAOYSA-N	302.352	1.452	50	20	DDGD	
CC(=O)Nc1ccc(O)c(C(C)=NNC(=O)[C@H]2CCO[C@@H]2C)c1	842554637	KGAHEAOYLZFUCC-MFKMUULPSA-N	319.361	1.616	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNc1cccc(C(F)(F)F)n1	740141896	WHOWFXYFWYBXKE-ZETCQYMHSA-N	304.272	1.458	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1ccc(OC(C)C)cc1	744827227	DLYAUKOYILYKQC-UHFFFAOYSA-N	303.362	1.593	50	20	DDGD	
C[C@@H]1CN(C[C@@H](C)C(=O)NN=C2COC(C)(C)C2)C[C@@H](C)O1	841614019	DZAMSSCOHNASCM-JHJVBQTASA-N	311.426	1.403	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cccc(C(C)(C)C)c2)cn1	846879809	RDQLTXVTTNZOPO-UHFFFAOYSA-N	300.362	1.792	50	20	DDGD	
O=C(NN=Cc1cnc2cnc(Br)cn12)C1CCC1	746372097	JZNQOKMHZRPKBL-UHFFFAOYSA-N	322.166	1.742	50	20	DDGD	
COC(=O)Nc1cccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	843645129	FDANAUBLQDILAD-SKDRFNHKSA-N	321.333	1.051	50	20	DDGD	
CN(C)c1nccc(NNC(=O)Nc2ccc(F)cc2F)n1	740017152	ZUBGKEHWWTZPAL-UHFFFAOYSA-N	308.292	1.969	50	20	DDGD	
CCN1CCC(=NNC(=O)c2ccnc(N(C)C)c2)[C@@H](C)C1	741465013	XLRDESZSHYKKBF-LBPRGKRZSA-N	303.410	1.595	50	20	DDGD	
COCCN(C)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CC=CCC1	846121727	DOTFXTBYFPMZIT-MRXNPFEDSA-N	312.410	1.664	50	20	DDGD	
Cc1cccc(OCCCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	843644904	GXIULMBWRZIVFN-ZFWWWQNUSA-N	320.389	1.726	50	20	DDGD	
CC[C@H](COC)NC(=O)NNc1ccc(CC(=O)OC)cc1	845004398	SFUFANMYNHCGBU-GFCCVEGCSA-N	309.366	1.453	50	20	DDGD	
CC1=C(C(=O)NNC(=O)Cc2ccc(F)cc2)C(=O)OC1(C)C	748547812	ZECDRJJWNXVWHI-UHFFFAOYSA-N	320.320	1.168	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)c1ccc(N2CCCC2)nn1	743816188	MMHPQRUHQWPKQX-UHFFFAOYSA-N	318.768	1.882	50	20	DDGD	
C[C@@H](OCc1ccccc1)C(=O)NNC(=O)Cc1ccncc1	747324891	PYOGIOHUFWOHQW-CYBMUJFWSA-N	313.357	1.377	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Nc2nc(C)c(C)o2)nc1	758511045	MMZCDSFREMKAEU-UHFFFAOYSA-N	305.294	1.622	50	20	DDGD	
C=CCCn1cc(C=NNC(=O)c2cccc(N(C)C)c2)nn1	853269785	WUGXHJXOOSHKAD-UHFFFAOYSA-N	312.377	1.684	50	20	DDGD	
O=C(Cc1ccc2c[nH]nc2c1)NNC(=S)NCC1CCC1	855089171	FRUBGVUUXYPNNW-UHFFFAOYSA-N	317.418	1.401	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)cc1	857115107	ANCHTRYCFAGZMU-RRFJBIMHSA-N	317.389	1.833	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2CCc3nncn3C2)C[C@H]1Br	857386972	BIXHPJAZBJAKTP-YGOYTEALSA-N	313.199	1.130	50	20	DDGD	
CC(C)(C)OC(=O)[C@]1(C(=O)NNC(=O)C2CC2)C[C@H]2CC[C@H]1C2	854179373	AHDRTNSDMZWAQK-QAGHZCBJSA-N	322.405	1.692	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C(\C)c1cccs1	856983714	WBMNHCXRZWLAPK-AAXQSMANSA-N	310.375	1.641	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)on1	857211135	OOTOTOQRFFUHOU-CHWSQXEVSA-N	317.349	1.335	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1cccc2c1ccn2C	756317281	VUPVCQQDEAWCOD-UHFFFAOYSA-N	312.333	1.676	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2	754863209	QUQBDLASTSOWRN-XQQFMLRXSA-N	307.394	1.465	50	20	DDGD	
COc1ccc(NNC(=O)c2ncoc2-c2ccon2)nc1	857489789	AEZQAWOMWKWCKV-UHFFFAOYSA-N	301.262	1.490	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H]1CCCN(C(=O)[C@@H](C)CC)C1	751368943	MILSGVDXEOXMDR-RYUDHWBXSA-N	312.414	1.012	50	20	DDGD	
CC(C)Cn1cc(NC(=O)NNC(=O)CC(F)(F)F)cn1	756804674	WYAHIVQGAODYFD-UHFFFAOYSA-N	307.276	1.644	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](OC)c2ccc(F)cc2)n1	859795020	BOYPDCJPTRVKFJ-CYBMUJFWSA-N	320.324	1.764	50	20	DDGD	
O=C(NC[C@H]1COCO1)NNc1ccc(Cl)cc1Cl	923859614	OOFMFWMUKVYMCM-QMMMGPOBSA-N	306.149	1.992	50	20	DDGD	
C[C@]1(CNC(=O)c2cnc3nccnc3c2)C[C@@H]1Br	857392647	BFKHPJCLQXJOJF-GXFFZTMASA-N	321.178	1.928	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)Nc2ccon2)cc1	757858043	UJGMDYLKROCUID-UHFFFAOYSA-N	306.347	1.928	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H]2CCN(C(C)(C)C)C2)n1	852466223	BKWDMMXUNDOOEW-NSHDSACASA-N	322.413	1.293	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)OCC(F)(F)F)cc1F	856025654	ZETXVLDAVDNMCR-UHFFFAOYSA-N	324.230	1.697	50	20	DDGD	
CCCN1C[C@H](C(=O)NC[C@@]2(C)C[C@@H]2Br)CC1=O	857386838	ZQRNMFLMMBUBQP-GBIKHYSHSA-N	317.227	1.535	50	20	DDGD	
CCC(=O)N1CCc2ccc(NC(=O)NN(C)C(=O)OC)cc21	934178727	IGLYBNCKGHNDHS-UHFFFAOYSA-N	320.349	1.720	50	20	DDGD	
COCC(=O)NNC(=O)Nc1nc(Cc2ccccc2)cs1	758015269	NGFGIPCEDBLKFK-UHFFFAOYSA-N	320.374	1.533	50	20	DDGD	
Cc1nnccc1C(=O)NNC(=O)NCc1ccc(Cl)cc1	753293420	JHZICRTWQSNAOR-UHFFFAOYSA-N	319.752	1.583	50	20	DDGD	
O=C(NNc1cnccn1)C(=O)Nc1ccc(-c2ccc[nH]2)cc1	766259809	AIBGAOIGTXNFIT-UHFFFAOYSA-N	322.328	1.554	50	20	DDGD	
CCN(C(C)=O)c1nc(C=NNC(=O)c2cccnc2)cs1	767012118	SXUFDSUVLSRTMF-UHFFFAOYSA-N	317.374	1.675	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CCC(=O)N1)c1cc(C)ccc1OC	863147765	LOFYHCYPIRMPER-ZDUSSCGKSA-N	303.362	1.513	50	20	DDGD	
Cc1c(S(=O)(=O)NNC(=O)C(C)C)oc2ccc(F)cc12	760335004	OJFOMWNLGVRQCE-UHFFFAOYSA-N	314.338	1.846	50	20	DDGD	
Cc1ccccc1C(C)(C)C(=O)NNc1nnc(C)c(O)n1	768929178	WJQRXCUHLFDQNJ-UHFFFAOYSA-N	301.350	1.615	50	20	DDGD	
Cc1onc(-c2ccncc2)c1C(=O)NNC(=O)CC(C)C	764730137	YFPJZXOPJDNPDF-UHFFFAOYSA-N	302.334	1.852	50	20	DDGD	
CCc1oc2ccccc2c1CC(=O)NNC(=O)C(C)(C)O	861206078	PUAFGFUEJMTBOL-UHFFFAOYSA-N	304.346	1.456	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNCC(F)(F)C(F)(F)F	863096060	SXRMHKZTKRLACP-UHFFFAOYSA-N	321.246	1.283	50	20	DDGD	
C[C@H]1CC(=NNC(=O)[C@H]2CCC(=O)N2)CN1Cc1ccccc1	863148389	AXYJBANAGIKXRE-SWLSCSKDSA-N	314.389	1.032	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)c2cccc3ncccc23)nn1	766555657	MJUYTPFTKLQREQ-UHFFFAOYSA-N	324.344	1.311	50	20	DDGD	
COC(=O)c1coc(/C=C/C(=O)NN[C@@H](C)C(F)(F)F)c1	869377351	XFUOVUXURPQXJW-SDLBARTOSA-N	306.240	1.651	50	20	DDGD	
Cc1nnc(NNC(=O)c2cc(Cl)ncc2Cl)nc1O	1116711106	GXWQFIJZUPRXMM-UHFFFAOYSA-N	315.120	1.344	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)Cc2cc(C)[nH]n2)s1	869013259	TVDMZSADVIXLNA-UHFFFAOYSA-N	321.406	1.439	50	20	DDGD	
COCCOCC(=O)NN=Cc1c(Cl)cccc1N(C)C	1119010919	QKMNJTHHYLEYJG-UHFFFAOYSA-N	313.785	1.519	50	20	DDGD	
COc1cccc(NNC(=O)c2cc([C@H]3CCCN3C)[nH]n2)n1	1119623338	COSDZMIRHTXPHH-GFCCVEGCSA-N	316.365	1.337	50	20	DDGD	
CN(C)c1ccc2c(c1)NC(=O)C2=NNC(=O)OC(C)(C)C	761744856	UZZARRJMBRQRST-UHFFFAOYSA-N	304.350	1.934	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1)C1CC1	873751391	RLDGNWDIBDSFSB-JTQLQIEISA-N	302.252	1.296	50	20	DDGD	
O=C(Cn1nc(C(F)F)cc1C1CC1)NNC(=O)NC1CC1	874194105	RKZVWKQVABYUGL-UHFFFAOYSA-N	313.308	1.191	50	20	DDGD	
Cc1cccc(NNC(=O)NC[C@H](C(C)C)N2CCOCC2)n1	875042944	BZQAVPAEAPNDBB-CQSZACIVSA-N	321.425	1.373	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)c1c[nH]cc(Cl)c1=O	1116945548	SMWMOSUYCXWDSX-UHFFFAOYSA-N	321.749	1.790	50	20	DDGD	
Cc1nnc(CCC(=O)NNC(=O)CCc2ccccc2)o1	874263987	DFFXJNNKPZMQSD-UHFFFAOYSA-N	302.334	1.091	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@H]1c1ncc[nH]1	778226770	RUKWRVJHKATZDX-RYUDHWBXSA-N	307.398	1.129	50	20	DDGD	
CC(C)(C(=O)NNc1cc(Cl)ccc1F)S(C)(=O)=O	871272554	UEBQNEAQXYJPNS-UHFFFAOYSA-N	308.762	1.745	50	20	DDGD	
Cn1cc(/C=C\C(=O)NNc2ccc(C(F)(F)F)cn2)cn1	775265223	WEUZDNXDDPHZIY-DJWKRKHSSA-N	311.267	1.990	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(C)n([C@H](C)CC)n1	772240335	JTNJPRJVFMSFBJ-KOLCDFICSA-N	324.381	1.265	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cccc(Cl)c2)nn1C	771859597	AYPDZRLSYNNZSH-UHFFFAOYSA-N	308.725	1.157	50	20	DDGD	
C[C@@H]1CC[C@@H](C(=O)OCC(=O)NNC(=O)c2cccs2)C1	776424603	PFPNJVWQCAFGPI-NXEZZACHSA-N	310.375	1.489	50	20	DDGD	
CC1(C(=O)NNc2cccc(S(C)(=O)=O)c2)CCOCC1	776541327	PQCCIZRBJOHGMW-UHFFFAOYSA-N	312.391	1.350	50	20	DDGD	
CC(=NNC(=O)c1ccc[nH]1)c1cc(C(=O)O)c(C)nc1C	776723515	BVKOHNGFLZDUOT-UHFFFAOYSA-N	300.318	1.879	50	20	DDGD	
CCc1nn(C)cc1C(=O)NN=c1sc2ccccc2n1C	770638780	ZWYMUIHFRUGFIA-UHFFFAOYSA-N	315.402	1.781	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)[C@@H]1CSCC(=O)N1	1122520676	YCJUWCHTFBIILO-VIFPVBQESA-N	310.331	1.349	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)NC)cnn1-c1ccc(F)cc1	782588896	XBQXFCALPWCDCO-UHFFFAOYSA-N	319.340	1.538	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](C(=O)NNC(=O)c2ccccc2F)C1(C)C	780160277	UVSHGVZFMPVMCK-NWDGAFQWSA-N	306.337	1.838	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(C#N)cn1)C1=CCN(C)CC1	888776577	BMPJNTPYBYAOMW-LLVKDONJSA-N	300.366	1.230	50	20	DDGD	
Cc1ccc(F)c(OCC(=O)NNC(=O)C2CCOCC2)c1	883066193	OJROTSDXQCQPPA-UHFFFAOYSA-N	310.325	1.087	50	20	DDGD	
CCn1cnnc1CCNC(=O)/C(C#N)=C/c1ccc(O)cc1	787333717	AOBVDDPHOQSNFY-UKTHLTGXSA-N	311.345	1.269	50	20	DDGD	
O=C(CCc1ccc(O)nc1)NNC(=O)c1cccc(Cl)c1	786641633	TUBLXVGKLBWLTF-UHFFFAOYSA-N	319.748	1.834	50	20	DDGD	
Cc1c(NNC(=O)NC[C@H]2COC(C)(C)O2)cccc1[N+](=O)[O-]	783286249	HPMXYZITXXFQHY-JTQLQIEISA-N	324.337	1.681	50	20	DDGD	
O=C(NCCc1cccs1)NNS(=O)(=O)c1ccco1	783529366	ZAQPYNTWVCVHPA-UHFFFAOYSA-N	315.376	1.076	50	20	DDGD	
CC1(C)CC[C@H](C(=O)NNC(=O)COc2ccc(C#N)cc2)C1	781575343	NAMQPVJJHPXREJ-ZDUSSCGKSA-N	315.373	1.911	50	20	DDGD	
COC(=O)c1cccc(/C=C(\C#N)C(=O)[C@H]2CCCOC2)n1	899370810	BGCMZIOQTLMMAW-SERMCNLOSA-N	300.314	1.771	50	20	DDGD	
O=C(NNc1ncncc1Cl)Nc1nc2ccccn2n1	782061895	LPQYQJBEQFHYEI-UHFFFAOYSA-N	304.701	1.321	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=O)c2cccc(C)n2)s1	794080902	SRVMBKGDKWKJDM-UHFFFAOYSA-N	304.375	1.792	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cscc1Br	794609313	SRTZCKGGUZHFKR-UHFFFAOYSA-N	320.237	1.806	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)Cc1ncccc1F	792191705	XBVWSWPYVXSFSN-UHFFFAOYSA-N	317.320	1.127	50	20	DDGD	
COc1coc(C(=O)NNc2cnc3ccccc3n2)cc1=O	798993953	RWMLJFWGBPSKJP-UHFFFAOYSA-N	312.285	1.349	50	20	DDGD	
CSSCCNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C	791151784	CQLJVSFOJMQREF-MRVPVSSYSA-N	314.498	1.078	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H]2[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)n1	793010544	DCIRAKFGTRNZIS-KTCHWWJWSA-N	312.373	1.322	50	20	DDGD	
CC1=C(C)CN(CC(=O)NNC(=O)c2cccc(C#N)c2)CC1	796589214	FOWMHQAZAUCZDU-UHFFFAOYSA-N	312.373	1.361	50	20	DDGD	
Cc1cc(C(=O)NNc2nnc(C)c(O)n2)c(C)cc1Cl	794906015	HQJIFOJCPLOXMX-UHFFFAOYSA-N	307.741	1.913	50	20	DDGD	
COc1ncncc1NC(=O)NNc1cccc(F)c1[N+](=O)[O-]	790514476	VFIBEYUMTDWXDS-UHFFFAOYSA-N	322.256	1.681	50	20	DDGD	
Cc1c(C(=O)O)oc2c1C(=NNC(=O)[C@H]1CCOC1)CCC2	792649909	SKZKTHLWXLENAX-VIFPVBQESA-N	306.318	1.479	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(C#N)o2)c([N+](=O)[O-])c1	794393920	UZMWGBXSKOLBSW-UHFFFAOYSA-N	302.246	1.825	50	20	DDGD	
C[C@@H](NC(=O)NNc1nc2ccccn2n1)c1cccc(C#N)c1	790407098	SIDPWWDSPKYUAY-LLVKDONJSA-N	321.344	1.988	50	20	DDGD	
CCOCC(=O)NNC(=S)NCCCCC(F)(F)F	794977729	ISHYKOXTNDEPTR-UHFFFAOYSA-N	301.334	1.251	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc(O)cc1OC	1318782961	QGEXDWDOILSQAF-UHFFFAOYSA-N	307.350	1.156	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)N[C@@H]1C=CCCC1	1319083153	LZQLUVLYTJCHPL-BXUZGUMPSA-N	317.345	1.266	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2)ccn1	1318595407	TXUFSAGFPKDBBD-UHFFFAOYSA-N	305.721	1.818	50	20	DDGD	
Cn1ncc([N+](=O)[O-])c1C(=O)NNc1cc(C#N)cc(Cl)n1	1319866348	CXTRAAXXOLUQMK-UHFFFAOYSA-N	321.684	1.005	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)[C@@]1(F)CCOC1	1324059773	DRJOLEOESXXDTG-SNVBAGLBSA-N	304.119	1.416	50	20	DDGD	
Cc1nc(-c2ccc(NC(=O)NNC(=O)CCO)cc2)oc1C	1320275970	NYEPBMPIFGYMEG-UHFFFAOYSA-N	318.333	1.494	50	20	DDGD	
Cc1cc(C)cc(CCNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	1326733272	MOHFSXQGWJRFGP-UKRRQHHQSA-N	319.405	1.601	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cc(C(F)(F)F)n[nH]2)c1Cl	1329607884	QUMGKJZBQLREKR-UHFFFAOYSA-N	321.650	1.211	50	20	DDGD	
COC(=O)C[C@H](NS(=O)(=O)CCl)c1ccc(C)cc1	1324498665	UTEMMBNEWIXGED-NSHDSACASA-N	305.783	1.715	50	20	DDGD	
CCOc1cccc2c1OCC(C(=O)NNc1ccn(C)n1)=C2	1325745518	JSKDCFFXEVGLCW-UHFFFAOYSA-N	314.345	1.738	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Nc2cccc(C)n2)cc1	1321182647	SDHQMEJQTIOSRD-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
Nc1cnnc(NNC(=O)NCc2ccc(F)cc2)c1Cl	1253131569	LJKFZUTULKOKPB-UHFFFAOYSA-N	310.720	1.678	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C2C[C@H]3CCC[C@H](C2)C3)n[nH]1	1332153902	ZQXKADVCBJOHCA-RYUDHWBXSA-N	304.394	1.624	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1C[C@H](C)N(c2ccccc2)C1=O	1330270321	AGRRSPFENVBPSR-JQWIXIFHSA-N	320.349	1.093	50	20	DDGD	
Cc1ccccc1OCCC(=O)NNC(=O)Cc1cccnc1	1338555520	DICYUNABGQBZFJ-UHFFFAOYSA-N	313.357	1.549	50	20	DDGD	
CCn1nc(C(C)C)cc1C(=O)NNC(=O)C1CCOCC1	1262187297	HJVJQHGLAOWGCX-UHFFFAOYSA-N	308.382	1.214	50	20	DDGD	
CC(C)[C@H](F)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	1603225053	JSCVTPKDRDGVSY-VIFPVBQESA-N	313.724	1.352	50	20	DDGD	
Cc1cc(C=NNC(=O)c2sc(N)nc2C)[nH]c1C(=O)O	1600185392	PGYRJRBLZIZSQV-UHFFFAOYSA-N	307.335	1.132	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1)N[C@H]1CC=C(C(=O)O)C1	1601555113	PPXWEXRUFQZLDA-NSHDSACASA-N	323.736	1.457	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)C2([C@H]3CCCCO3)CCC2)nc1	1602382671	VPULWSUPSXNSAN-GFCCVEGCSA-N	319.361	1.962	50	20	DDGD	
COc1cnc(C(=O)NNc2cccc(C(=O)O)c2C)c(F)c1	1607354330	JCHILJMLAUENCP-UHFFFAOYSA-N	319.292	1.993	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H]2CCN(C)[C@H]2C)cccc1C(=O)O	1600051425	RKSUGIVJLSSXLN-GXFFZTMASA-N	306.366	1.412	50	20	DDGD	
O=C(O)CC1(CC(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)CCCC1	1608677264	DEWMOXJHBYRMAX-IJLUTSLNSA-N	324.377	1.127	50	20	DDGD	
Cc1nn(C)cc1CCC(=O)NNc1ccc(F)c(C(=O)O)c1	1600776077	OQSPVTJVKTUEFC-UHFFFAOYSA-N	320.324	1.642	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])Nc1cc(C(=O)O)ccn1	1605821166	VANPXDOTKHNCTN-UHFFFAOYSA-N	317.261	1.837	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)C1(C#N)CCCC1	1610285236	CMOXASNIWFGXHJ-UHFFFAOYSA-N	303.318	1.920	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C(=O)NN=C1CCC[C@H]1F	1549903945	DPRGLKPMRDDSAF-DMDPSCGWSA-N	308.357	1.882	50	20	DDGD	
O=C(O)[C@H]1C[C@H]2CC[C@H]1N(S(=O)(=O)CCCCCl)C2	1610739793	BFUNRGPHJVUZKJ-OUAUKWLOSA-N	309.815	1.520	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@@H]1C=NNC(=O)c1cnn(C)c1	1552759247	LVNMFOCVABGEQY-DGCLKSJQSA-N	316.365	1.130	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@@H]2C=NNC(=O)[C@H]2CCCOC2)cn1	1552453130	JAELBJMYGXBIQD-VNHYZAJKSA-N	320.393	1.416	50	20	DDGD	
Cc1cc(F)c2c(c1)N[C@H](C(=O)NNC(=O)[C@H]1CCCS1)C2	1579610732	MDBXQVDSUGCWOM-QWHCGFSZSA-N	323.393	1.514	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H](C(=O)O)C2CC2)c1	1574359646	SOWUPVMXULPMLK-LBPRGKRZSA-N	321.402	1.732	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc(-c2nn[nH]n2)cc1F)C(F)(F)F	1589977386	XCBZYSVZLOPCRV-RXMQYKEDSA-N	318.234	1.191	50	20	DDGD	
NC[C@H]1C[C@H](NC(=O)[C@@]2(c3ccccc3)C[C@H]2Br)C1	1580332560	HZEWSUAOLPVEOK-BPGGGUHBSA-N	323.234	1.945	50	20	DDGD	
CCCN1CCC[C@@H](C(=O)NNc2cccc(C(=O)O)c2)C1	1595908342	RLWHUAPDAZMHOV-CYBMUJFWSA-N	305.378	1.950	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(C(=O)O)cn2)c(C)nn1	1597431138	JBSOFDRCQPRARL-UHFFFAOYSA-N	301.306	1.198	50	20	DDGD	
CC1(C(=O)N2CCCC23CN(C(=O)[C@@H](F)Cl)C3)CCC1	1841021660	IKYVWDQBTOATOW-SNVBAGLBSA-N	302.777	1.914	50	20	DDGD	
CCc1cc(NNC(=O)[C@@H](C)C(=O)O)nc(-c2ccccn2)n1	1593634400	UIRAXBULDIKTFQ-SECBINFHSA-N	315.333	1.265	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccnc(C(=O)O)c1	1592038963	FVEPYRFNNHIOTA-UHFFFAOYSA-N	301.306	1.450	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C\c1ccc(-c2nn[nH]n2)c(C)c1	1590602325	JBAHAOKTNSXDFB-LCYFTJDESA-N	310.361	1.998	50	20	DDGD	
CC[C@]1(C(=O)NNc2ccc(C)c(C(=O)O)c2)CCNC1=O	1595366464	KJTYYVDYWGJUFV-HNNXBMFYSA-N	305.334	1.053	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NNc2cccc(C(=O)O)c2)C1	1594379614	WDNQHQGJFYRMDL-SNVBAGLBSA-N	305.334	1.086	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2cc(C(=O)O)co2)o1	1592008156	DIMJIJOGINZUCD-UHFFFAOYSA-N	304.262	1.718	50	20	DDGD	
O=C(NN=Cc1ccc(OC(F)(F)C(=O)O)cc1)c1cn[nH]c1	1776093843	NVHINVRNTSNOBU-UHFFFAOYSA-N	324.243	1.230	50	20	DDGD	
CCCCNC(=O)NN=Cc1c(C(=O)O)ccc2c1OCO2	1776039246	ZYXZAONSOBWHCQ-UHFFFAOYSA-N	307.306	1.547	50	20	DDGD	
O=C(O)c1ccc2c(C=NNC(=O)C3CCOCC3)n[nH]c2c1	1776102237	KLFXVHGABPGDLZ-UHFFFAOYSA-N	316.317	1.138	50	20	DDGD	
O=C(O)c1cc(F)c(C=NNC(=O)C2CCOCC2)c(F)c1	1776102951	HCHLISCZXRQMBA-UHFFFAOYSA-N	312.272	1.540	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1cccc2[nH]nc(C(=O)O)c12	1777033775	PNOXQKHYMBBLES-RMKNXTFCSA-N	320.330	1.017	50	20	DDGD	
Cc1nnc(NNC(=O)c2ccc3[nH]c(C)c(C)c3c2)nc1O	11334875	GNHSFDBZCSZSTE-UHFFFAOYSA-N	312.333	1.741	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1c(F)ccc(F)c1F	161550339	VBLVBKIFBZKDJJ-UHFFFAOYSA-N	323.274	1.977	50	20	DDGD	
O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccncc1	206624390	RLVOSZKLUXRQMP-UTCJRWHESA-N	312.285	1.464	50	20	DDGD	
COC(=O)NNC(=O)c1cnc(Cc2ccc(F)cc2)s1	158771842	JZSOHQMKGADJDO-UHFFFAOYSA-N	309.322	1.874	50	20	DDGD	
Cn1cc(CCNC(=O)NNc2ncnc3ccsc23)cn1	163577419	ITGMYOXNMDGNPF-UHFFFAOYSA-N	317.378	1.294	50	20	DDGD	
CC[C@@H](C)CN(CC)CC(=O)NNC(=O)c1cccc(C#N)c1	166268060	VVPGVVYUZXBRRN-CYBMUJFWSA-N	316.405	1.687	50	20	DDGD	
Cn1c(=O)[nH]c2ccc(C(=O)NNc3ccc(F)cc3)cc21	155030797	FVLXOIOFVQRVFF-UHFFFAOYSA-N	300.293	1.763	50	20	DDGD	
COCCn1ccc(NC(=O)NNc2ccccc2[N+](=O)[O-])n1	159105119	UHGRXUQEYWKWMF-UHFFFAOYSA-N	320.309	1.586	50	20	DDGD	
CCN(C)C[C@@H]1CCN(S(=O)(=O)CC(C)(C)CCl)C1	866893284	MTHXDZKVXFPLTF-LBPRGKRZSA-N	310.891	1.855	50	20	DDGD	
C[C@@H]1[C@@H](NS(=O)(=O)CCl)CCN1Cc1ccccc1	309836814	URSKOQXGXUAXIQ-YPMHNXCESA-N	302.827	1.765	50	20	DDGD	
ICCN1CCC[C@H](N2CCCC2)C1	373786449	JQFLUEJGMDPUBO-NSHDSACASA-N	308.207	1.982	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1c(O)cccc1F	118987225	WKCJTQXQGYKYHW-UHFFFAOYSA-N	306.268	1.674	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2ccc([C@H](C)O)cc2)n1	171062532	CZUSYDUTAHYTMX-LBPRGKRZSA-N	315.377	1.973	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)Cc2cnn(C)c2)c1	171326075	RUJWDIKUPMXLFA-UHFFFAOYSA-N	321.381	1.428	50	20	DDGD	
COc1ccnc(NNC(=O)Cc2cccc([N+](=O)[O-])c2)n1	173065668	UJHYJVCJZXRRMA-UHFFFAOYSA-N	303.278	1.079	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)NCc1ccccn1	171575156	LKCRGFAWFLVLBW-UHFFFAOYSA-N	323.356	1.567	50	20	DDGD	
Cn1cnc(C(=O)NNC(=O)c2cccc(Br)c2)c1	179593835	MMDAZQCJAXWHJW-UHFFFAOYSA-N	323.150	1.257	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC[C@H](C)COC)c1ccccc1	171848086	KARUHDFYKJYHNP-JSGCOSHPSA-N	307.394	1.793	50	20	DDGD	
CCNC(=O)NNS(=O)(=O)c1ccccc1-c1ccccc1	64940139	MFXOMZFPTHLFOY-UHFFFAOYSA-N	319.386	1.866	50	20	DDGD	
O=C(Cc1ccc2c(c1)OCCO2)NNc1nccnc1Cl	114895110	ZTAPJZCMZYKETP-UHFFFAOYSA-N	320.736	1.587	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@H]1CCN(c2ccccc2F)C1=O	112266000	ITFBNUZRJMPOGF-OEYXZAGESA-N	317.320	1.491	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)NC2CCCC2)cc1C	65833095	BBOXMHBVNYOCFH-UHFFFAOYSA-N	311.407	1.739	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc(CC)cc2)C1	21770538	WPAJKCFCDLALGX-LBPRGKRZSA-N	319.361	1.379	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCc2ccccn2)nc1	179795244	PSMSOEXOPKEMDQ-UHFFFAOYSA-N	300.318	1.339	50	20	DDGD	
O=C(C[C@H]1OCCc2ccccc21)NNC(=O)NCC1CC1	115346283	DCQMPWXHTMVXCR-CQSZACIVSA-N	303.362	1.431	50	20	DDGD	
C[C@H](c1cc2ccccc2o1)N(C)CC(=O)NNC(=O)C1CC1	112976476	JKWCSYYJMBVNAV-LLVKDONJSA-N	315.373	1.983	50	20	DDGD	
COc1ccc(C[C@H](C)CNC(=O)NNc2cccnn2)cc1	179281704	DPYGHCXALZGAHU-LBPRGKRZSA-N	315.377	1.990	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1Cl)N[C@@H]1CCOC1	179149763	VVWARNZODODSGA-MRVPVSSYSA-N	318.160	1.726	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)Nc1ccncc1F	184198390	RSYBSSMMBBAFDO-UHFFFAOYSA-N	322.271	1.592	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1cn(CC2(C)COC2)nn1	184391359	JCESWOPTVWXQMZ-UHFFFAOYSA-N	319.340	1.519	50	20	DDGD	
CN1C(=O)CCc2cc(NC(=O)NNc3ncccn3)ccc21	187063452	VXBKGNYQWJAWPH-UHFFFAOYSA-N	312.333	1.534	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@H]2CCCCO2)cc1	121955923	VUTQGTHMAZSRCP-CQSZACIVSA-N	306.362	1.344	50	20	DDGD	
N#Cc1cccc(CNC(=O)NNC(=O)c2ccccc2O)c1	46040615	BJXDMRZVYQPBHP-UHFFFAOYSA-N	310.313	1.408	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2cc(C)oc2C)nc1C	182716391	OPPQWERXQAXWEP-UHFFFAOYSA-N	318.333	1.928	50	20	DDGD	
COCc1cccc(CC(=O)NNC(=S)N[C@H](C)C2CC2)c1	189207058	YRJREAZNIWULSM-LLVKDONJSA-N	321.446	1.669	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)NCC2CC2)cc1OC	45459967	HTMHEJNERMCAOO-UHFFFAOYSA-N	321.377	1.838	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@H]2SCCc3ccccc32)cn1	80356244	GRNAIGUMIOVGKI-ZDUSSCGKSA-N	316.386	1.212	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnc2onc(CC)c2c1	194677888	ZYHYHZYIFLSSKF-UHFFFAOYSA-N	305.363	1.080	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1	81614309	WMIHNGLKYLHYFP-AWEZNQCLSA-N	322.384	1.529	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccncc2Cl)nc1	135885260	ASQSJDRSAMEPFB-UHFFFAOYSA-N	306.709	1.674	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)Cc2c[nH]c3ccccc23)cn1	47816922	BIQPFCZYTSKTMZ-UHFFFAOYSA-N	322.368	1.804	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cc3occc3[nH]2)n1	132907692	OPKKZRWGYHTBSS-UHFFFAOYSA-N	301.306	1.035	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cc1ccc(F)c(F)c1)C1CC1	88280854	LYUKFMVUUKMZSM-MRVPVSSYSA-N	313.373	1.801	50	20	DDGD	
CC(C)(C)OC(=O)CCC(=O)NNc1nnc(C2CC2)s1	192486216	ZWOQAGDWPBXKIR-UHFFFAOYSA-N	312.395	1.981	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1cc(Cl)c2c(c1)OCCO2	96951315	MBBUIGYGJBOKRG-UHFFFAOYSA-N	321.720	1.514	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C2(C#N)CCCCC2)cc1	98115733	ZPYMKIHLMPTEBE-UHFFFAOYSA-N	315.373	1.995	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(Cl)c(F)c1)S(C)(=O)=O	269621197	SPKIORCKWVJRQB-UHFFFAOYSA-N	308.762	1.745	50	20	DDGD	
O=C(NNC(=O)c1cccc2ccccc12)NC1CCOCC1	266630522	ZADSUYCNGLRLDW-UHFFFAOYSA-N	313.357	1.963	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNC(=O)C(C)(C)c1ccccc1	264549395	KWLQRNLERHVCJX-HNNXBMFYSA-N	317.433	1.986	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCOCC2CC2)cc1	264506913	RCWHPNDQBNPFOF-UHFFFAOYSA-N	305.378	1.620	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1C1CC1)c1ccc(Cl)nc1	279477753	KOIQFSBIFDLPFD-LLVKDONJSA-N	308.769	1.123	50	20	DDGD	
CCOCc1cccc(NC(=O)C(=O)NNC(=O)[C@H](C)CC)c1	274083734	ROQRPURREJZHLU-LLVKDONJSA-N	321.377	1.355	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	284905981	HMPFLIICXWJOLE-OAHLLOKOSA-N	302.334	1.021	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O	374008912	HTUVWLUUNAIXDD-JVHMLUBASA-N	321.299	1.275	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)CCC(C)=O)c1	283518250	ATFFCXGPTKOVEI-UHFFFAOYSA-N	313.741	1.871	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H]1C(=O)NNc1ccc2c(O)nccc2c1	285595911	FJRBJVLKGFDPKH-CHWSQXEVSA-N	315.329	1.583	50	20	DDGD	
CSCCCNC(=O)NNc1ccc(-n2ccnc2)nn1	287407826	LDGDNOVGROUHMM-UHFFFAOYSA-N	307.383	1.042	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1cc2n(n1)CCCC2	287304094	JMQYJYPSKUFXQC-UHFFFAOYSA-N	302.338	1.024	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)COc1cccc(C)c1)C(C)C	280984451	AFDIRGIIAJOUJQ-AWEZNQCLSA-N	303.362	1.362	50	20	DDGD	
C#CCOc1cccc(NC(=O)C(=O)NCCSSC)c1	285406279	WWSAAEPHAVSXFA-UHFFFAOYSA-N	324.427	1.765	50	20	DDGD	
Cc1nc(C)c(NC(=O)C(=O)NNc2cccc(F)n2)s1	807391359	OHGZSDICHZVLSX-UHFFFAOYSA-N	309.326	1.376	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Cc1cc(F)cc2c1OCOC2	298823645	ZCZLAWRGIRWPPO-UHFFFAOYSA-N	310.325	1.428	50	20	DDGD	
CC1(C)C[C@@H]1NC(=O)NNC(=O)COc1ccc(C#N)cc1	299049100	HPLCVGVKCBQVLV-LBPRGKRZSA-N	302.334	1.066	50	20	DDGD	
CC[C@@H](COCC(F)(F)F)NC(=O)NNc1ccc(C)nn1	296874713	MTBYZRDZTUMPQP-VIFPVBQESA-N	321.303	1.769	50	20	DDGD	
CCC[C@@H](C)N(C)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	297856786	LQJNKNXWSDKBSK-LLVKDONJSA-N	322.365	1.476	50	20	DDGD	
CCO[C@H](CC)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802100892	BOOVQHZAKLHDRS-SNVBAGLBSA-N	309.322	1.383	50	20	DDGD	
CC[C@H](C)[C@H](C)NC(=O)NNc1ccc(-n2ccnc2)nn1	804984251	DEBNGAGWPXZWGM-QWRGUYRKSA-N	303.370	1.723	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc(F)c(C(C)=O)c2)n1	806578791	ZUNAJONBGTZWNL-UHFFFAOYSA-N	319.296	1.976	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)CCCCCC#N	805161350	SFNOHMURDGBJHD-UHFFFAOYSA-N	319.361	1.695	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C1CCC1)[C@@H]1OCCc2sccc21	293276464	CNYQPDRVCDPAGR-ZANVPECISA-N	308.403	1.946	50	20	DDGD	
O=C(NNC(=O)N[C@@H]1C[C@H]2CC[C@H]1O2)Nc1cccc(Cl)c1	297963691	NGSWQHBVLRNAGZ-IJLUTSLNSA-N	324.768	1.996	50	20	DDGD	
CCC(CC)n1nc(C)cc1C(=O)NNC(=O)[C@@H]1CCCCO1	295675814	XMSSWHWEOBOPOX-AWEZNQCLSA-N	322.409	1.883	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)c2ccc3c(c2)OCO3)[nH]n1	292519296	OAYHOHIMQHDVLF-SECBINFHSA-N	316.317	1.012	50	20	DDGD	
Cc1ccc2snc(C(=O)NNC(=O)[C@H]3CCCCO3)c2c1	295579747	OFPGWFUOQIUKMJ-LLVKDONJSA-N	319.386	1.935	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1C	294344980	UHUGUVIXJPJHNM-ZFWWWQNUSA-N	320.389	1.787	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cccc3c2OCC3(C)C)O1	294270267	PCBCQMUDNQIBBE-GWCFXTLKSA-N	318.373	1.685	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)c1cnc(S)[nH]1	800688332	UTNBSJORCLQUJQ-UHFFFAOYSA-N	308.388	1.323	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@@H]2NCC[C@H]2C1	293275150	GPDCLOGMQYKHLX-STQMWFEESA-N	310.829	1.563	50	20	DDGD	
COC1([C@H](C)NS(=O)(=O)CCCCCl)CCOCC1	817154334	OOUIOPVGSZJOQU-NSHDSACASA-N	313.847	1.509	50	20	DDGD	
CN1CCN(c2ccccc2NC(=O)NN(C)C2CC2)CC1	818096227	RARDPRGISJAARD-UHFFFAOYSA-N	303.410	1.569	50	20	DDGD	
Cc1c(C(=O)NNc2cnnn2C)cccc1-c1ccccn1	816770885	PNKHNVQJTJYFMX-UHFFFAOYSA-N	308.345	1.942	50	20	DDGD	
COc1ncc(C=NNC(=O)c2ccnc(N(C)C)c2)s1	812226152	YEGLFNRUWYEHAA-UHFFFAOYSA-N	305.363	1.377	50	20	DDGD	
Cn1cc(C(=O)NNc2ncccc2[N+](=O)[O-])c(C2CCC2)n1	819897161	CLNIBPCKBJJVOZ-UHFFFAOYSA-N	316.321	1.748	50	20	DDGD	
C[C@H](NC(=O)NNc1ncncc1F)c1nc(C(C)(C)C)no1	814326015	SUOPUVRNIRXKAI-ZETCQYMHSA-N	323.332	1.684	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C[C@H]1OC(=O)c2ccccc21	726136588	KEAPNAHVAKXNFF-LLVKDONJSA-N	321.402	1.582	50	20	DDGD	
Cn1c(=NNC(=O)NCCc2cn[nH]c2)sc2ccccc21	811932523	XCGXXTVVOKTDJK-UHFFFAOYSA-N	316.390	1.321	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1nc(CN2CCCCC2)no1	819681407	WSKLCXVBQPPVRB-QXMHVHEDSA-N	319.365	1.116	50	20	DDGD	
COc1ncc(C=NNC(=O)COc2ccccc2OC)s1	812223650	GSYRFSAJTUHNCD-UHFFFAOYSA-N	321.358	1.689	50	20	DDGD	
COCc1ccccc1/C=C(\C)C=NNC(=O)C(=O)NC1CC1	814217086	QABQJHZMPWRDRX-AGEXOYPBSA-N	315.373	1.617	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1ccc(O)c([N+](=O)[O-])c1	728785279	CLJFFAMSQFGSBR-UHFFFAOYSA-N	300.274	1.388	50	20	DDGD	
COC(=O)c1ccc(O)c(C=NNC(=O)NCC(F)(F)F)c1	726737537	SYMOTNXGOIEPNN-UHFFFAOYSA-N	319.239	1.374	50	20	DDGD	
CSSCCNC(=O)c1cc2c(nc1O)CCC[C@@H]2O	822783391	FKVQVHCDEZGTNC-NSHDSACASA-N	314.432	1.898	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cnc(C)nc1N)c1ccccc1	827185832	YFJDWMHJVDCPRZ-LBPRGKRZSA-N	313.361	1.322	50	20	DDGD	
O=C(NNC(=S)NC1CCOCC1)c1cccc(Cl)c1	727780546	QYCWCCAAWGNEGS-UHFFFAOYSA-N	313.810	1.628	50	20	DDGD	
Cc1cccc2c1CCN(C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)C2	827301428	WQFYNVXQCWDFPX-IUODEOHRSA-N	317.389	1.519	50	20	DDGD	
O=C(NNC(=O)c1cc2n(n1)CCCC2)c1ccc(Cl)cc1	823544784	XZPUWNYEUXBIRC-UHFFFAOYSA-N	318.764	1.948	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC(c2ccc(F)cc2)CC1	828020349	ICOXNSWWAZUMGJ-UHFFFAOYSA-N	321.396	1.809	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC1(F)F)c1cc(Br)c[nH]1	822234437	TZCFUWNJYRPESC-RXMQYKEDSA-N	308.082	1.193	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCC1(c2ccccc2)CC1	825566081	DYADULGSSLQCQR-GXTWGEPZSA-N	317.389	1.474	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccc([N+](=O)[O-])cc1	727268597	ALKUPUOTJCJHSS-UHFFFAOYSA-N	308.363	1.504	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)Cc1ccccc1OC)C(C)C	490994509	DDLOMPXXRGUCPD-CYBMUJFWSA-N	303.362	1.226	50	20	DDGD	
CC[C@@H](C)n1ncc2c(C(=O)NN(CC)CCO)cc(C)nc21	823855669	AYMOKAWSFULXQS-GFCCVEGCSA-N	319.409	1.670	50	20	DDGD	
CCOC(=O)NNC(=O)c1c[nH]nc1-c1ccc2c(c1)OCO2	496328967	QVRYDNPBKDBUCS-UHFFFAOYSA-N	318.289	1.196	50	20	DDGD	
COCCN(C)NC(=O)C1(NC(=O)OC(C)(C)C)CCC1	496560778	BLDPFZBOXJIESH-UHFFFAOYSA-N	301.387	1.043	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1c(Cl)ccnc1Cl	494140210	BGVPGLZDPHQUTP-UHFFFAOYSA-N	314.150	1.328	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@H]1CCc2cccnc21	823792687	CINFJGIHKMBNTO-LBPRGKRZSA-N	300.318	1.235	50	20	DDGD	
CN(NC(=O)c1ccc2nc(O)[nH]c2c1)C(=O)OC(C)(C)C	496188628	KLLJJXOUVNWRDP-UHFFFAOYSA-N	306.322	1.780	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H](C(=O)NNC(=O)C1CC1)C1CCC1	496789142	BZWDXVPSJVHRSX-LLVKDONJSA-N	311.382	1.237	50	20	DDGD	
COc1ccc2c(c1)N(CC(=O)NNC(=O)C(C)C)C[C@@H](C)O2	827899101	AIXMGDQIXGSMLI-LLVKDONJSA-N	321.377	1.086	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)COc1ccc(Cl)c(Cl)c1	823977024	MORIMVVEKXGIFV-QMMMGPOBSA-N	307.177	1.716	50	20	DDGD	
Cc1cc[nH]c1C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	495855234	JVIAMFAAWPZGBF-UHFFFAOYSA-N	324.381	1.389	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N2CC[C@@H]3OCC[C@@H]3C2)c1	825907624	ZZLOIKQPSXQRQI-KGLIPLIRSA-N	314.345	1.023	50	20	DDGD	
CCO/C=C\C(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1	493301584	MQEYYXMFWZRDOA-SREVYHEPSA-N	320.353	1.280	50	20	DDGD	
Cc1nc(O)nc(O)c1NC(=O)/C(C#N)=C\c1ccc(O)cc1	490975025	OKIUWCDPBRYDLK-POHAHGRESA-N	312.285	1.448	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccccc1CSC	495367061	MMJQWRCCFTUNTL-UHFFFAOYSA-N	311.363	1.265	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@]2(C)C[C@@H]2Br)n1	907892027	JXNOXDFDYUACEP-CABZTGNLSA-N	312.167	1.325	50	20	DDGD	
Cc1nc(-c2ccccc2)c(C(=O)N2CC[C@@H](B(O)O)C2)s1	585070303	VLPMUZNKTYKMPI-GFCCVEGCSA-N	316.191	1.807	50	20	DDGD	
CNC(=O)NN=C(C)C[C@@H]1COCCN1C(=O)OC(C)(C)C	495411042	AUADVFUOSOMYRG-LLVKDONJSA-N	314.386	1.317	50	20	DDGD	
COc1cc(NCc2ccccc2B(O)O)cc(OC)c1OC	585013205	VKQXRIOZIQTNHH-UHFFFAOYSA-N	317.150	1.004	50	20	DDGD	
CCCN(NC(=O)C(C)(C)NC(=O)OC)C(=O)OC(C)(C)C	495631822	UFIACWXUHZFOAN-UHFFFAOYSA-N	317.386	1.799	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCC(C)(C)C2(O)CCCC2)cn1	490972466	KEWJKUMUCDRHIU-ZSOIEALJSA-N	316.405	1.775	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC(OCCOC(C)C)CC1	491173731	FEQNPDDYNOAYDH-OWBHPGMISA-N	310.394	1.863	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1ccnn1CCN(C)C	907462603	XFJBLNHAZNCCFY-UHFFFAOYSA-N	305.357	1.649	50	20	DDGD	
Cn1c(=NNC(=O)[C@H](O)c2cccnc2)sc2ccccc21	731868026	IOJSNLKYQGUCHQ-CYBMUJFWSA-N	314.370	1.300	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)C[C@H](C)c1cnn(C)c1	839718322	IRFYPJBRYZKRTA-NSHDSACASA-N	316.361	1.844	50	20	DDGD	
O=C(NNC(=S)Nc1ccc2c(c1)OCCO2)C1CCC1	731943843	JBXFPMGIKOJWHH-UHFFFAOYSA-N	307.375	1.576	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCCN(C(C)(C)C)CC2)cn1	491084222	NLNOHHSPCLKWIH-GDNBJRDFSA-N	315.421	1.660	50	20	DDGD	
CC(C)N1CCC[C@H](NC(=O)/C(C#N)=C\c2cnn(C)c2)C1	491009304	JSAOSFAENXPSOU-GSHXUFRSSA-N	301.394	1.316	50	20	DDGD	
O=C(O)NCCCC(=O)NNC(=O)c1ccc(Cl)cc1F	832609259	SSSDKMAJMVUNJO-UHFFFAOYSA-N	317.704	1.288	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNC(=O)c1c[nH]c2ccccc12	839472714	HDQZEWZBNARGTE-SNVBAGLBSA-N	317.345	1.518	50	20	DDGD	
CO[C@H]1CC(=NNC(=O)[C@@H](C)CN2CCOCC2)C12CCC2	834932489	IGFLAJFVHSHRGI-JSGCOSHPSA-N	309.410	1.016	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2ccccc2O)cc1C	730779578	GRNFMMDSYDGSJK-UHFFFAOYSA-N	314.341	1.849	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCc2sccc21)[C@@H]1CCCCO1	833245841	AJFGDJYDRAFDFN-RYUDHWBXSA-N	308.403	1.885	50	20	DDGD	
C#CCN(C)CCCNC(=O)NNc1ccc(Cl)c(OC)c1	838623826	PVMYDUFUIYZJCA-UHFFFAOYSA-N	324.812	1.930	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)c1cc(F)cc(F)c1	730777814	DQGYZCHRUQWVPR-UHFFFAOYSA-N	322.267	1.510	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)N=c1cc[nH]cc1)C1CCCC1	836644589	OIQMJXLLFBUKQF-CYBMUJFWSA-N	305.382	1.808	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)SCC1CCNCC1	830483485	GYLKQNGZHCFNKW-NSHDSACASA-N	301.456	1.301	50	20	DDGD	
O=C(NNc1ncncc1F)[C@H]1CCN(c2ccccc2)C1	832824073	YWJLRIXWICVYDM-NSHDSACASA-N	301.325	1.585	50	20	DDGD	
OB(O)c1cccc(CNCCc2nc3c(s2)CCCC3)c1	585031240	BGCVNODLHUCWSD-UHFFFAOYSA-N	316.235	1.034	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N(C)C[C@@H]1CCCCO1	731500051	YVXJKQOVQZLRGH-LBPRGKRZSA-N	321.377	1.551	50	20	DDGD	
CS(=O)(=O)C1CN(C(=O)CCCC[C@H]2CCSS2)C1	837149265	VTPPCUJLSGJWKY-JTQLQIEISA-N	323.505	1.956	50	20	DDGD	
CN1CCC[C@@H](CCNC(=O)NNc2ncc(F)cc2F)C1	838772133	PCTASJWQEIQWHY-JTQLQIEISA-N	313.352	1.718	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1c(F)cccc1-n1cccn1	836651796	WSKGDBKDGIHEPC-UHFFFAOYSA-N	319.340	1.498	50	20	DDGD	
CCCc1nnc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)s1	831110076	HHBKYZPZUIKYRR-YUMQZZPRSA-N	313.383	1.068	50	20	DDGD	
CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)CCl	830509861	PACBJZNKDWJJCE-IUCAKERBSA-N	314.860	1.048	50	20	DDGD	
C[C@@](O)(C(=O)NNc1cccc(Br)n1)C1CCC1	837213149	RYTXEUSJWIBLJQ-LBPRGKRZSA-N	314.183	1.838	50	20	DDGD	
CC(C)CNC(=S)NNC(=O)[C@@H](C)CN1CCCCC1	916118872	CBZYNQIMVFLSNG-LBPRGKRZSA-N	300.472	1.260	50	20	DDGD	
O=S(=O)(CCl)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1	831557107	QMGRHTROXDXDAR-CYBMUJFWSA-N	321.801	1.579	50	20	DDGD	
CO[C@H]1COCC[C@H]1CNC(=O)NNc1c(C)cccc1F	838661703	ZNPLIXLJZBUJRJ-AAEUAGOBSA-N	311.357	1.812	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CNc2ccccc2)c(C)c1	743292800	FMOQFDZWDVMUKI-UHFFFAOYSA-N	313.357	1.877	50	20	DDGD	
COc1cc2ccccc2cc1C(=O)NNc1nccn(C)c1=O	747942158	MWCIOCRUODWDBI-UHFFFAOYSA-N	324.340	1.699	50	20	DDGD	
Cc1nc2ccc(C(=O)NNc3nccn(C)c3=O)cc2nc1C	747941665	AZENBBHMDHALDT-UHFFFAOYSA-N	324.344	1.097	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNC(=O)Nc1ccc(OC)cc1	742027553	WKIKHBWDIVBAJR-MDZDMXLPSA-N	304.306	1.292	50	20	DDGD	
Cc1ncc2c(n1)CC[C@H](NC(=O)NNC(=O)C1CCCC1)C2	916314303	UUWQYNNILFMQEM-ZDUSSCGKSA-N	317.393	1.163	50	20	DDGD	
O=C(NC[C@@H]1CCCCN1)NNC(=O)c1ccc(Cl)cc1	841922949	VYODYRZVCMYYSF-LBPRGKRZSA-N	310.785	1.426	50	20	DDGD	
C[C@H]1CN(Cc2ccccc2)CC1=NNC(=O)c1ncccn1	841664217	KYQGMEYCYLGXRY-ZDUSSCGKSA-N	309.373	1.714	50	20	DDGD	
CC1(C)Cc2cc(C(=O)NNC(=O)c3ccnnc3)ccc2O1	843908875	OXVWQJQSINXQGD-UHFFFAOYSA-N	312.329	1.265	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@H](CC(C)C)OC)c1	841007305	UXGGEUZPZPHFMG-AWEZNQCLSA-N	324.377	1.526	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cccc2c1CCNC2	841306346	WLSWLZODTOWFLF-UHFFFAOYSA-N	314.349	1.280	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)C[C@H]1N	846682710	SVNPHNUIEIPKNK-UYNYGYNWSA-N	301.228	1.746	50	20	DDGD	
COC[C@H](NC(=O)NN=c1sc2ccccc2n1C)C1CC1	749886940	RCNICFPYFOBZHG-NSHDSACASA-N	320.418	1.780	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2ccc(O)c(O)c2)cc1	916326603	DUUJLVFVXHXDOE-UHFFFAOYSA-N	300.314	1.935	50	20	DDGD	
C[C@](O)(CC(=O)NNc1ncc(Br)cn1)C1CC1	848321247	MZMUXXGNPCXQQA-NSHDSACASA-N	315.171	1.233	50	20	DDGD	
O=C(Cc1cnccc1Cl)NNC(=O)NCC(F)(F)F	848032191	CVOCBGAPDMADOT-UHFFFAOYSA-N	310.663	1.170	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cc(OCc2ccccc2)ccn1	742472771	RAPNGCCKDCSIMC-UHFFFAOYSA-N	311.341	1.832	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(C)ccc2O)c(O)c1	918338900	OZOCCSOJVDPKDV-UHFFFAOYSA-N	300.314	1.789	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(Br)co1	843663127	WTKSVUUUKACFLI-SVRRBLITSA-N	317.139	1.228	50	20	DDGD	
C[C@H](CN)CNC(=O)NNC(=O)c1c(Cl)cccc1Cl	841962526	KDPAGKVPVZTLKO-SSDOTTSWSA-N	319.192	1.532	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cccc(OCC#N)c1	748260433	SVNZQUFCCYDNJC-LBPRGKRZSA-N	305.334	1.091	50	20	DDGD	
C[C@H]1CC[C@H](C)N1CC(=O)NNC(=O)COCc1ccccc1	746284157	GRALXAZSKROMSQ-KBPBESRZSA-N	319.405	1.223	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1ccc(-n2cncn2)c(F)c1	842553878	GKLLDIOQRSDTBH-JQWIXIFHSA-N	317.324	1.282	50	20	DDGD	
O=C(NNC(=O)N1CCC2(CCCC2)CC1)c1ncccn1	841592557	RMNARYONUNTERX-UHFFFAOYSA-N	303.366	1.487	50	20	DDGD	
CCC[C@@](C)(N)C(=O)NNc1ncc(Br)cn1	848436032	DDRGJBLUKDVWBJ-SNVBAGLBSA-N	302.176	1.200	50	20	DDGD	
O=C(CC[C@H]1CC1(Cl)Cl)NNC(=O)NCC(F)(F)F	847116886	SJICRKMRYHNMLP-YFKPBYRVSA-N	322.114	1.853	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@@H](C)C(=O)OC(C)(C)C	840398106	HMPFFFLUODYOTE-GFCCVEGCSA-N	320.389	1.663	50	20	DDGD	
C[C@H]1CC2(CCOCC2)CN1C(=O)/C(C#N)=C/c1cnn(C)c1	844093941	LRPHAFOALSRSNC-FEZXJWFHSA-N	314.389	1.745	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc2nc(O)n(CC)c2c1	847687443	RBKFGCMTAAKFGT-UHFFFAOYSA-N	305.338	1.068	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCCCC2)o1)C(=O)N1CCCC1	748137009	ZTHKVGFAHYAMGR-UHFFFAOYSA-N	318.377	1.342	50	20	DDGD	
COc1ccnc(NNC(=O)COC[C@@H](C)c2ccccc2)n1	845182506	QZRXRIJRIZEDLJ-GFCCVEGCSA-N	316.361	1.749	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)NCc2ccco2)CCCC1	843774508	AYZVNSZCGNHBFO-UHFFFAOYSA-N	323.349	1.234	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CC[C@@H]2CNC[C@H]2C1	842016932	ZUYMJSBSQFNLHC-MGPQQGTHSA-N	316.405	1.327	50	20	DDGD	
COCCONC(=O)NNc1cc(Br)ccc1F	922249938	QEWLLVIZYMECJI-UHFFFAOYSA-N	322.134	1.792	50	20	DDGD	
Cc1ccnc(NNC(=O)c2ccnc(N3CCCCC3)n2)c1	755844075	OYEWIQVILALHTM-UHFFFAOYSA-N	312.377	1.927	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)c1c[nH]nc1-c1cccnc1	857533246	OYOMVUIWCGNNDN-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
CC(CN1C(=O)CCC1=O)=NNC(=O)c1cc2c(s1)CCC2	754911450	FJQOSBILEQPFKF-UHFFFAOYSA-N	319.386	1.492	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1coc(C(N)=O)c1)c1ccccc1	759857042	HIQOCOSEBSAMSP-GFCCVEGCSA-N	315.329	1.333	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCC(=C2CCC2)CC1	853303410	MSRKTQWGULDRNK-JTQLQIEISA-N	313.423	1.451	50	20	DDGD	
CN1C(=O)C(=NNC(=O)c2cccc(C#N)c2)c2ccccc21	920968644	WLDFWPCPZBCJHK-UHFFFAOYSA-N	304.309	1.669	50	20	DDGD	
CCCCOc1cc(OC)ccc1C(=O)NNc1cnnn1C	857273632	SZPBZADICQBRKX-UHFFFAOYSA-N	319.365	1.760	50	20	DDGD	
CN(C)c1ccnc(CNC(=O)/C(C#N)=C/c2cnn(C)c2)c1	927697371	MHMZOTFUHYWNBN-AWNIVKPZSA-N	310.361	1.104	50	20	DDGD	
O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1O	753986356	WQTADIFFTUVMIL-UHFFFAOYSA-N	317.257	1.081	50	20	DDGD	
CCOCCOCCCC(=O)NNC(=O)NC1CCCCC1	854192888	XECBJXXAYHEVMI-UHFFFAOYSA-N	315.414	1.483	50	20	DDGD	
CC1CCN(C[C@@H](C)NC(=O)NNC(=O)c2ccccc2)CC1	851936166	WEQGGPMDWYEUJB-CQSZACIVSA-N	318.421	1.751	50	20	DDGD	
C[C@]1(CNS(=O)(=O)CCCCC#N)C[C@H]1Br	856757690	ZCFKIVLUCUXSAY-NXEZZACHSA-N	309.229	1.773	50	20	DDGD	
C[C@H]1CCS(=O)(=O)CCN1C[C@H](CBr)C1CC1	859278272	OFHKAKWDSNKDEW-JQWIXIFHSA-N	324.284	1.917	50	20	DDGD	
C[C@H]1COC[C@H]1NC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	926002718	GXYALRCLKIVKGK-GXFFZTMASA-N	321.381	1.123	50	20	DDGD	
CC(C)CN1C[C@@H](C(=O)NNc2ncc(Cl)cn2)CC1=O	857355410	CYHGBRGEMVUJQC-VIFPVBQESA-N	311.773	1.078	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccccn2)c(Cl)n1	757686161	CQXRROSYDBYPFH-UHFFFAOYSA-N	321.724	1.605	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1cc([N+](=O)[O-])ccc1O	758098037	LWFLWMVVNFOSOM-UHFFFAOYSA-N	317.305	1.415	50	20	DDGD	
C[C@]1(CN2C(=O)[C@@H]3CCCCN3C2=O)C[C@H]1Br	857226902	BMULFTHUASKPBP-YGOYTEALSA-N	301.184	1.977	50	20	DDGD	
C[C@H]1CCC[C@H](C)C1NC(=O)NNC(=O)c1cccc(F)n1	853820916	VZJMJEJVIXATLC-UWVGGRQHSA-N	308.357	1.989	50	20	DDGD	
CC(COC(C)C)=NNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C	853373001	HPLIUBYSMFNLJF-ZIAGYGMSSA-N	322.409	1.805	50	20	DDGD	
CC(C)n1ccnc1C=NNC(=O)Cn1cnc2ccccc21	853268535	HFGQDQPECIQAMP-UHFFFAOYSA-N	310.361	1.964	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@H](O)C3CC3)cc2C1	854242051	ZNMDRLRRIDGJCC-AMIZOPFISA-N	308.403	1.405	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)[C@@H]1CCO[C@H]1c1ccncc1	857358818	ISBPIAYBLKBXLY-NEPJUHHUSA-N	319.752	1.746	50	20	DDGD	
C[C@@H]1C[C@H]1C=NNC(=O)Cc1csc(N2CCOCC2)n1	758374335	RMSCRMWFOVWJCM-MNOVXSKESA-N	308.407	1.280	50	20	DDGD	
N#Cc1ccc(NNC(=O)CCN2CCOCC2)cc1Cl	753315397	IWQHIWBGWOBISR-UHFFFAOYSA-N	308.769	1.377	50	20	DDGD	
CCNC(=O)[C@@H](NC(=O)NNc1ccc(Cl)cn1)C(C)C	852356017	QVIBAXUOOQWFNK-NSHDSACASA-N	313.789	1.522	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc(Cn2ccnn2)cc1	858284765	OBVIJGVVWDICCO-UHFFFAOYSA-N	301.350	1.134	50	20	DDGD	
Cn1nncc1C=NNC(=O)c1ccc(Br)s1	751133205	BJJFFDTWSCIIOY-UHFFFAOYSA-N	314.168	1.403	50	20	DDGD	
CCOC(=O)N1CCC(C)(C=NNC(=O)c2cnn(C)c2)CC1	853309363	OVQSETQSCRVHAL-UHFFFAOYSA-N	321.381	1.394	50	20	DDGD	
C[C@@H](CBr)CN1CCO[C@@H](c2ccnn2C)C1	933538900	MYRYAQOXHCKQMN-CMPLNLGQSA-N	302.216	1.824	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NC[C@H](O)c1ccsc1	867056361	RBUGOBUZSMWUPY-JTQLQIEISA-N	311.856	1.966	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H]1CCN1C1CCCC1)C1CC1	863205031	OVTKBEVPDFJQOI-GWCFXTLKSA-N	310.467	1.297	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cnn(CCOC)c2)cc1	864491743	CBZRWYSMTUEKDC-UHFFFAOYSA-N	316.361	1.167	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C2(Cc3ccccc3)CC2)n[nH]1	869014533	TYOXYXPMKDWENS-UHFFFAOYSA-N	312.373	1.431	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C(C[C@H]2CCOC2)c2ccccc2)N1	863147654	LBUPEUNDYBCRLL-TZMCWYRMSA-N	315.373	1.212	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)Cc2ccccc2C)o1	868969978	RQJUPNREJWYDOV-UHFFFAOYSA-N	301.346	1.970	50	20	DDGD	
C[C@H]1CCC[C@H](C=NNC(=O)CNC(=O)c2cccnc2)C1	768366389	FRHWOCYKLDWDGG-STQMWFEESA-N	302.378	1.740	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1ccnn1CC(F)F	863100641	YYOXGGCAPBZFSW-UHFFFAOYSA-N	322.184	1.580	50	20	DDGD	
C[C@H]1COCCN1CCNC(=O)[C@H](Br)C(C)(C)C	767955894	IBUVBDHFRHALQA-QWRGUYRKSA-N	321.259	1.633	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cc(OC)ncn1)c1ccccc1	932501315	VEKJIVQYZJOKGV-LBPRGKRZSA-N	314.345	1.440	50	20	DDGD	
Cc1nnc(-c2ccc(NC(=O)NNC(=O)C3CC3)cc2)o1	764670575	ANPYXHKGDSXZNO-UHFFFAOYSA-N	301.306	1.608	50	20	DDGD	
CCNc1nc(C)c(C(=O)NNc2nccnc2OC)s1	764460864	QWIDFZHTXUJJSK-UHFFFAOYSA-N	308.367	1.439	50	20	DDGD	
CC(C)[C@H](NC=O)C(=O)NNc1ncccc1C(F)(F)F	863881973	DLVIIADYYVAKEU-VIFPVBQESA-N	304.272	1.314	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1C[C@@H]2CCC[C@@H](N)[C@H]2C1	866757809	GJYGQWZLPMSEAF-SDDRHHMPSA-N	308.875	1.640	50	20	DDGD	
COc1nccnc1NNC(=O)CNc1ccccc1Cl	764482000	QGJIGQRVDRXSPS-UHFFFAOYSA-N	307.741	1.694	50	20	DDGD	
CNC(=O)NN=Cc1ccc(OC)cc1OCc1cccnc1	766450547	NWIGPTKTNLHOPI-UHFFFAOYSA-N	314.345	1.932	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1)c1ccnn1C	766002249	LSTVDCWWHQHEOH-RWMBFGLXSA-N	321.425	1.006	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)N[C@H]2CCCOCC2)nn1	1116479140	KFESWTOURUJHNC-NSHDSACASA-N	307.398	1.969	50	20	DDGD	
CO[C@@H](C)[C@H](C)NC(=O)NNC(=O)c1nc2ccccc2s1	872982135	RVNYZJLGNHBLAU-IUCAKERBSA-N	322.390	1.664	50	20	DDGD	
COc1nccnc1NNC(=O)c1ncoc1-c1ccccc1	764464610	OTOQVEWRFYUFGA-UHFFFAOYSA-N	311.301	1.897	50	20	DDGD	
Cc1cc(=NNC(=O)NC2CCN(C3CCC3)CC2)cc[nH]1	875649757	XBDRFFZKDOIIRL-UHFFFAOYSA-N	303.410	1.455	50	20	DDGD	
COc1ccc2[nH]c(C)c(C(=O)NNC(=O)c3ccccn3)c2c1	1116338106	QEDOZIQMOLFABL-UHFFFAOYSA-N	324.340	1.955	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCc1cn2cccc(C)c2n1	875334536	MCJZBFLEFBRYIR-UHFFFAOYSA-N	305.338	1.098	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C[C@H](O)c1ccc(Cl)cc1	772567644	UVARDCOSKLWVGP-ZDUSSCGKSA-N	321.764	1.563	50	20	DDGD	
C[C@@H](O)c1ncc(C=NNC(=O)c2cccc(C#N)c2)s1	773053172	CDBLXTVTGLCMCA-SECBINFHSA-N	300.343	1.832	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CCO[C@@H](C)C2)cc1	770354201	VZKVFDHOOMOJPR-QWHCGFSZSA-N	321.377	1.272	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CCc2nc(C)no2)c1	873774199	GWCSLCSSHJMUEG-UHFFFAOYSA-N	319.390	1.637	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNC(=S)Nc1ccc(OC)nc1	874954681	ZYVZBRLNYGCMQM-JTQLQIEISA-N	312.395	1.223	50	20	DDGD	
Cc1nn(C)c(Cl)c1/C=C(\C#N)C(=O)N=c1cc[nH]cc1	774559178	FDPUMBWZHKJDEC-JXMROGBWSA-N	301.737	1.745	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)c1nc2ccccc2s1	874913728	IZVFBYIYUXWDKD-UHFFFAOYSA-N	307.375	1.730	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNC(=O)c1ccccc1C)C(C)C	873814756	OEKZLOABBTTWRK-CYBMUJFWSA-N	306.362	1.591	50	20	DDGD	
CSc1cccc(C)c1NC(=O)C(=O)NNc1ncccn1	773720044	SOMKKSFOCRHQNT-UHFFFAOYSA-N	317.374	1.589	50	20	DDGD	
COC(=O)[C@H](NNC(=O)c1ccccc1F)c1cccnc1	771898769	RIKRZFLANCOSIJ-CYBMUJFWSA-N	303.293	1.369	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1nccc(Cl)c1F	1116682395	RVPMQQPAFWOHEX-UHFFFAOYSA-N	322.818	1.346	50	20	DDGD	
CCC(C)(CC)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	772363740	PJKXJOXCKVUEMH-LLVKDONJSA-N	300.399	1.938	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1cocn1	772963396	JQTVGGCPAROSBO-MRVPVSSYSA-N	309.709	1.557	50	20	DDGD	
CC(=O)NNC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1	772142539	SBDWBWIMQIAIBS-UHFFFAOYSA-N	313.144	1.960	50	20	DDGD	
CCOCc1cc(C=NNC(=O)NCC(=O)OC)ccc1OC	779823180	LQRJETLDCSQFGN-UHFFFAOYSA-N	323.349	1.038	50	20	DDGD	
CC(C)(O)c1ccc(CNS(=O)(=O)CCCCl)cc1	882081582	HXROFVNBZAETFI-UHFFFAOYSA-N	305.827	1.962	50	20	DDGD	
O=S(=O)(CBr)NCCOc1cccc(F)c1	885374495	HOJPGMVBRMERID-UHFFFAOYSA-N	312.160	1.476	50	20	DDGD	
CC(C[C@@H]1CCOC1)=NNC(=O)CCNC(=O)OC(C)(C)C	779806390	REHRRDRJVMEHJP-LBPRGKRZSA-N	313.398	1.820	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)c3cc4ccccn4c3)nc21	770989502	ICFXLIXVMZDODY-UHFFFAOYSA-N	323.316	1.079	50	20	DDGD	
O=C(C[C@@H]1CCS(=O)(=O)C1)NNc1cc(F)ccc1F	885146061	LFPPOJCWTWNENH-QMMMGPOBSA-N	304.318	1.233	50	20	DDGD	
CN(C)c1ccc(F)cc1NC(=O)NNC(=O)[C@H]1CCCCO1	880936937	CTFYOBXNLUHLHG-CYBMUJFWSA-N	324.356	1.614	50	20	DDGD	
O=S(=O)(CCCCCl)NCc1ncc2c(n1)CCC2	882407499	TVKLELPQCXGSIO-UHFFFAOYSA-N	303.815	1.404	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)c1cccc(C(N)=O)n1	782044987	CLWPNIIYPMUDKL-UHFFFAOYSA-N	321.340	1.794	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CCc2nccn2C)ccc1F	1123897763	JLVBHDUCQIOMKT-UHFFFAOYSA-N	320.324	1.422	50	20	DDGD	
CSc1ccccc1NC(=O)C(=O)NNc1ncc(F)cn1	784949544	MMCHNZUOEPALBU-UHFFFAOYSA-N	321.337	1.419	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H]1CCCN1c1ccccc1	787194007	NDYURJZNZHPNBZ-CQSZACIVSA-N	304.394	1.786	50	20	DDGD	
CCO[C@H]1CCN(C(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)C1	885349812	NNGBYBGDVIHBDU-KAMPRCONSA-N	312.373	1.750	50	20	DDGD	
C[C@H](CN(C)C(=O)NNC(=O)c1cccnn1)C1CCCCC1	883853630	NQDNIPHRRSILAY-GFCCVEGCSA-N	319.409	1.979	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccccc1)C1=CCN(C)CC1	781395883	YRZYTPLDTVRFQW-GFCCVEGCSA-N	302.378	1.281	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@H]2CO[C@H](C)C2)cc1	784144864	KXUNYNYQZDBPIP-VXGBXAGGSA-N	308.403	1.660	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)CCC(C)(C)O	786788342	PWOMMYIMBSHCKX-UHFFFAOYSA-N	314.769	1.661	50	20	DDGD	
COc1ccc(NNC(=O)CONC(=O)OC(C)(C)C)cc1	894263082	BNHXDVULXNBZLO-UHFFFAOYSA-N	311.338	1.595	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@@H]1CC(C)(C)OC1(C)C	781917974	OUSNVGZQGRXABL-VXGBXAGGSA-N	313.442	1.504	50	20	DDGD	
Cc1ccc(C)c(C2=NO[C@@H](C(=O)NNC(=O)C3CC3)C2)c1	899936928	JWSJEFIFDSFBIR-CQSZACIVSA-N	301.346	1.354	50	20	DDGD	
O=C(Cc1n[nH]c2c1CCCC2)NNc1ncncc1Cl	781823807	OIPFGFYMTKKLOW-UHFFFAOYSA-N	306.757	1.418	50	20	DDGD	
Cc1cc2cc[nH]c2cc1NC(=O)NNC(=O)c1cnn(C)c1	782087455	LUACPMGKXXMWMR-UHFFFAOYSA-N	312.333	1.676	50	20	DDGD	
O=C(CN1Cc2ccccc2C1=O)NNc1ccnc(F)c1	781361679	ILSIMEMJAGIMFD-UHFFFAOYSA-N	300.293	1.320	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)O[C@H](C(N)=O)C(C)C)cc(C#N)n1C	782626809	QEVJZYLQPLPTLP-VDFGQWLZSA-N	314.345	1.165	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C[C@@H]2CCCOC2)nc1C	793783072	JSOSHEXJIRYHOM-NSHDSACASA-N	322.365	1.222	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42	795261767	ZVWQFYZFFRFWFJ-UVDRMBIFSA-N	312.373	1.322	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C[C@@H]2CCCOC2)cc1C	792796860	JZHFQLTZWPPLAU-AWEZNQCLSA-N	320.389	1.646	50	20	DDGD	
N#Cc1ccc(Cl)c(C(=O)NNC(=O)c2ccncc2)c1	794606128	XTIJEKOKORDTHP-UHFFFAOYSA-N	300.705	1.681	50	20	DDGD	
CC(C)(C)[C@@H]1C[C@H](NS(=O)(=O)CBr)CCO1	721892071	YCVASIUHHOOZOV-BDAKNGLRSA-N	314.245	1.852	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccc(C(N)=S)cc1	798341907	SYINHRXBFXYLPE-UHFFFAOYSA-N	315.402	1.991	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCOc3c(F)cccc32)CC1	790181175	ICFDQOUDODOQKE-UHFFFAOYSA-N	306.341	1.269	50	20	DDGD	
COCc1cc(C=NNC(=O)[C@H]2COc3ccccc3O2)no1	794861453	XBONCYXMNXRGGN-CQSZACIVSA-N	317.301	1.111	50	20	DDGD	
Cc1cc(C(=O)NNc2ncccc2C)ccc1S(N)(=O)=O	791216565	XJBMZCZGVHQQSI-UHFFFAOYSA-N	320.374	1.103	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CN(C)[C@@H]1CCSC1	798311520	BIWPJTOIMVBURT-GFCCVEGCSA-N	322.434	1.585	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@@H]1Cc2ccc(F)cc21	793201680	PZSVACCHJMTKIC-CYBMUJFWSA-N	303.293	1.589	50	20	DDGD	
Cc1ccc(C)c(S(=O)(=O)NNC(=O)C(C)C)c1[N+](=O)[O-]	790385433	HHWYFEFCFWHUGW-UHFFFAOYSA-N	315.351	1.177	50	20	DDGD	
CO[C@@H]1CCC[C@H]1CNC(=O)NNC(=O)c1cccc(C)n1	793038353	ROQBJBGSSREOIM-WCQYABFASA-N	306.366	1.149	50	20	DDGD	
O=S(=O)(N[C@@H](CO)C1CC1)c1ccc(CCCl)cc1	751419334	SVEDOIGVIMOWSZ-ZDUSSCGKSA-N	303.811	1.517	50	20	DDGD	
O=C(CCl)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1	1320465539	KLFJIFWJFBDLOR-LLVKDONJSA-N	319.785	1.580	50	20	DDGD	
Cc1ncccc1CC(=O)NNc1ccc(-n2ccnc2)nn1	1328668995	MNTYGTBRZRPKQU-UHFFFAOYSA-N	309.333	1.052	50	20	DDGD	
C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)CCl	1324706141	HTQWZGRFIATVGI-CQSZACIVSA-N	310.825	1.975	50	20	DDGD	
C[C@H]1CN(C2CC2)CC1=NNC(=O)c1n[nH]c2c1CCCC2	1332054094	XCUDDXAPXCPRLN-JTQLQIEISA-N	301.394	1.488	50	20	DDGD	
C#CC[C@@H](CCOC)NC(=O)NNC(=O)c1ccccc1Cl	1330578470	MAUOVKCBKXKQMH-NSHDSACASA-N	323.780	1.712	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@]2(Cl)C[C@H]3CC[C@H]2O3)cc1	1332023315	XAYNHGKJBDEILK-LALPHHSUSA-N	324.764	1.385	50	20	DDGD	
Cc1cc(C)n2ncc(C(=O)NN[C@@H](C)C(F)(F)F)c2n1	1330225236	GRRFWEVGVTVKMM-QMMMGPOBSA-N	301.272	1.531	50	20	DDGD	
CC(C)[C@H](CO)NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	1340418376	USFBXEBFWIEHQN-AWEZNQCLSA-N	321.421	1.945	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cncn2-c2ccccc2)o1	1261231688	JWYNQEZIDAXVFF-UHFFFAOYSA-N	321.296	1.412	50	20	DDGD	
CCOc1cc(C(=O)NNC(=O)NCCc2cccs2)[nH]n1	1261675022	OYCMOZXJLAPEOG-UHFFFAOYSA-N	323.378	1.057	50	20	DDGD	
O=C(NC[C@@H]1C[C@H]2C=C[C@H]1C2)NNC(=O)c1cccc(F)n1	1263069177	JISFSHSECTXYRK-DCAQKATOSA-N	304.325	1.377	50	20	DDGD	
CC(C)c1ccc(NNC(=O)[C@H]2CN3CCN2C[C@@H]3C)cc1	1263839472	BRXRVFYSBDKZIT-XJKSGUPXSA-N	302.422	1.641	50	20	DDGD	
O=C(NNc1ncccn1)NC1CCN(c2ccncc2)CC1	1349701521	AENZMSSZBNPQFP-UHFFFAOYSA-N	313.365	1.167	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2cc(CN(C)C)on2)c1	1352802936	LUQPNYJJIRZEKV-UHFFFAOYSA-N	308.363	1.181	50	20	DDGD	
Cc1ccc(Cl)cc1CNC(=O)NNC(=O)C1CCNCC1	1353492752	MPMRZOBSSRGHFE-UHFFFAOYSA-N	324.812	1.478	50	20	DDGD	
O=C(O)COc1ccc(NC(=O)NNc2cccc(F)n2)cc1	1602086531	HKTMIJWINVRPDL-UHFFFAOYSA-N	320.280	1.833	50	20	DDGD	
CCOCCOCC(=O)NNc1cccc(C(=O)O)c1F	1605638793	SIEIXVKUQHEXDM-UHFFFAOYSA-N	300.286	1.020	50	20	DDGD	
O=C(O)CCc1ccccc1C(=O)NNC(=O)[C@@H]1CCCCO1	1602045272	ICDIVRQIJQMVPC-ZDUSSCGKSA-N	320.345	1.034	50	20	DDGD	
C=C(C)C[C@@H](C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	1609050752	ADNULNPKWJQZAE-SNVBAGLBSA-N	314.349	1.230	50	20	DDGD	
O=C(O)CCCCCCNC(=O)NNc1cncc(Cl)n1	1601984560	PXPQOSCQAJZIFR-UHFFFAOYSA-N	315.761	1.791	50	20	DDGD	
CCOc1cc(C(=O)NNc2ccc(C)c(C(=O)O)c2)[nH]n1	1605658962	DGTKELGICDKVIR-UHFFFAOYSA-N	304.306	1.572	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cnc3cc(O)ccc3c2)nc1	1602384798	XOCZHZIASIEYBX-UHFFFAOYSA-N	324.296	1.791	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)[C@@H]1CCCC(F)(F)C1	1606858061	IPLHBZAOPRXXGX-MRVPVSSYSA-N	323.307	1.530	50	20	DDGD	
O=C(NC[C@H]1C[C@H]1C(=O)O)NNc1ccc(F)cc1Cl	1601527565	DUCHQHLBMPHRKN-HTRCEHHLSA-N	301.705	1.826	50	20	DDGD	
CCOCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(Cl)Cl	1802341141	JHYAYXBLKJUZIL-ILWJIGKKSA-N	323.220	1.465	50	20	DDGD	
CSC[C@H](C)NC(=O)NNc1cccc(C(=O)O)c1F	1610382796	QKBQHVIJUUUCHO-ZETCQYMHSA-N	301.343	1.902	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NN=C[C@@H]2CCCO[C@@H]2c2nccn2C)O1	1552672489	NGBHHMWQJDCZMD-RQJABVFESA-N	320.393	1.557	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1c(F)cncc1F	1550697656	VWDXEVALDLPBFQ-GWCFXTLKSA-N	324.331	1.063	50	20	DDGD	
COc1ccc(NNC(=O)c2c[nH]nc2[C@@H]2CCNC2)cc1	1579230647	URXIHSAVOGHVDO-SNVBAGLBSA-N	301.350	1.252	50	20	DDGD	
O=C(CN1CCNCC1)NNc1ccc(C(F)(F)F)cc1	1574300107	ALAQWTKPUMWBBZ-UHFFFAOYSA-N	302.300	1.054	50	20	DDGD	
CC[C@H](C(=O)NNc1ccc(CC(=O)O)cc1)N(CC)CC	1594737494	WCQPMVJTCWSHQP-CQSZACIVSA-N	307.394	1.877	50	20	DDGD	
Cc1occc1C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843363047	QGWNLKLDJOBMEP-LLVKDONJSA-N	314.744	1.939	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@@H](O)c1ccc(Cl)cc1	1595262175	TYRSVDMJPJUIPN-NSHDSACASA-N	321.720	1.610	50	20	DDGD	
CC(C)NC(=O)/C(C#N)=C/c1ccccc1O[C@@H](C)C(=O)O	1591635619	PHLIDONOXGLATJ-ZWSXMNCCSA-N	302.330	1.970	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1ccc2c(c1)OCO2	1594781611	QRZLNVQYCHQVJE-UHFFFAOYSA-N	301.258	1.265	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cc(F)c(Cl)c(C(=O)O)c1	1590938694	KSMWVHZAOZPYFY-UHFFFAOYSA-N	317.704	1.986	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)Nc2cc(C(=O)O)cs2)CCCO1	1593755500	SGNHQPKAPPYRCO-GFCCVEGCSA-N	313.335	1.168	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNc1cccc(C(=O)O)c1	1595922828	SEOJOJWPYKKOAD-UHFFFAOYSA-N	307.350	1.524	50	20	DDGD	
CC(=NNC(=O)c1ncccn1)c1cc(C(=O)O)ccc1O	1776081189	CJPUCNOCFYAGSJ-UHFFFAOYSA-N	300.274	1.034	50	20	DDGD	
O=C(NN=Cc1sc(Cl)cc1C(=O)O)c1ncon1	1776105925	JMADDDRZLVFSQZ-UHFFFAOYSA-N	300.683	1.247	50	20	DDGD	
CCOCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl	1796809949	LMUZAFBWFQCTLQ-LSCVPOLPSA-N	320.792	1.586	50	20	DDGD	
Cc1ccc2ncc(/C=C(/C#N)C(=O)NC[C@H]3CCCO3)n2c1	151383134	MWCWROGQCCBGTJ-LPYTZGJOSA-N	310.357	1.845	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(Cl)nc2C)n1	159851397	WTDQAAJWAOYMSV-UHFFFAOYSA-N	307.741	1.907	50	20	DDGD	
O=S(=O)(CCCCl)NCc1cccc2c1OCCCO2	882003969	RMRPDCPJJURXGE-UHFFFAOYSA-N	319.810	1.896	50	20	DDGD	
ICCN1CC[C@@H](CN2CCOCC2)C1	190914532	MCNYGNXYHLYDER-LLVKDONJSA-N	324.206	1.076	50	20	DDGD	
COCC[C@@](C)(O)CNS(=O)(=O)c1ccc(CCl)cc1	312747817	YVBYFEACTVWJEJ-CYBMUJFWSA-N	321.826	1.491	50	20	DDGD	
CCOC[C@H]1CCCN(S(=O)(=O)CBr)C1	782444947	QKAIFLWOCAFKKP-VIFPVBQESA-N	300.218	1.417	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)CCN(C)C)cc1	7584503	ZLVPKBXWFRLPDM-UHFFFAOYSA-N	310.423	1.355	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	10160160	WAZOBCNNOYKWME-UHFFFAOYSA-N	320.349	1.976	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc2c(c1)CCC2)c1ccc[nH]1	108464766	QOYMBZWROFNDNQ-UHFFFAOYSA-N	305.359	1.127	50	20	DDGD	
COc1cccc([C@H](C)C(=O)NNC(=O)Cc2ccncc2)c1	175794711	MZVOLJWGMROMSK-LBPRGKRZSA-N	313.357	1.584	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(S(=O)(=O)N(C)C)cc1	104203549	RVWOXFDFEFDRBP-ZHACJKMWSA-N	323.374	1.319	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC(n2ccnc2)CC1	111243827	YZSVYAOSIAOYNW-CYBMUJFWSA-N	321.425	1.102	50	20	DDGD	
Cc1cncc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)c1	173070311	LEUJATFXMKSTAP-LLVKDONJSA-N	317.320	1.758	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(C)[C@@H](C)c1cccc(O)c1	111239551	IWOBKDFYVZAYCO-STQMWFEESA-N	321.421	1.967	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C)CCCc1ccccc1	179596477	WTQCENQYCIRIGV-ZDUSSCGKSA-N	319.405	1.317	50	20	DDGD	
Cc1ccc(C)c(SCC(=O)NNC(=O)c2cnn(C)c2)c1	117681436	FECQHPPEZOWNIQ-UHFFFAOYSA-N	318.402	1.590	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)c2cccc(C#N)c2)C[C@@H](C)O1	111491339	NMWDELRVSRRBPI-RISCZKNCSA-N	316.361	1.412	50	20	DDGD	
Cc1ccnc(NNC(=O)c2csc(S(C)(=O)=O)c2)c1	179877306	PZEPWGWMWZCULZ-UHFFFAOYSA-N	311.388	1.612	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCc1ccc2[nH]ccc2c1	179999927	JXDQAHCNTVTAQO-UHFFFAOYSA-N	318.377	1.467	50	20	DDGD	
C[C@H](Oc1ccc(C#N)cc1)C(=O)NNc1nccnc1Cl	114896934	OAQAHJACCWGWLL-VIFPVBQESA-N	317.736	1.912	50	20	DDGD	
COc1cccc(CC(=O)NNC(=O)NCc2ccco2)c1	65177816	SIUOMPZNDNRXMV-UHFFFAOYSA-N	303.318	1.361	50	20	DDGD	
CCCCNC(=O)NNC(=O)C[C@@H]1OCCc2ccccc21	115346016	OMADISVYOUSQMT-AWEZNQCLSA-N	305.378	1.821	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc2nc(S)oc2c1	173692700	UXQITHLPUFMOCK-UHFFFAOYSA-N	316.342	1.530	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@H](C)[C@@H]2CCC(=O)N2)o1	1348135430	WPORTBHHBRARBT-BDAKNGLRSA-N	305.338	1.027	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1	25169043	WUQSSYOGUQEXLO-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)c1cccc(C#N)c1)c1ccccc1	117940525	BSNRKFFVJHHBOP-HNNXBMFYSA-N	309.325	1.707	50	20	DDGD	
CC(C)c1nn(C)c2sc(C(=O)NNC(=O)N(C)C)cc12	172907533	UQRAFWDFTVNXMT-UHFFFAOYSA-N	309.395	1.674	50	20	DDGD	
CCC(CC)[C@H](O)CNC(=O)NNC(=O)c1ccc(C#N)cc1	111481935	LQPIDTODJMXQJX-CQSZACIVSA-N	318.377	1.299	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	112825215	AZDCZBJVPCUCFN-AWEZNQCLSA-N	316.361	1.448	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1ccc2[nH]c(=O)[nH]c2c1	172286324	AZJYAVMHNMWDEJ-UHFFFAOYSA-N	304.697	1.057	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)Cc1ccncc1)c1ccccc1	175783580	VOJKBSZXZZGSDG-INIZCTEOSA-N	313.357	1.549	50	20	DDGD	
CCOCCCNC(=O)NNC(=O)c1cccc(N(C)C)c1	125572358	ARSZXOJQYZYSED-UHFFFAOYSA-N	308.382	1.123	50	20	DDGD	
O=C(NNc1cccc(F)c1)C(=O)Nc1ccc(Cl)nc1	120940760	QTROSEDDDNXRQO-UHFFFAOYSA-N	308.700	1.956	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1	186456597	LSWVPASKEXSJNA-VIFPVBQESA-N	324.356	1.726	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cnn(CC3CC3)c2)o1	186296278	LPQUCNOVUYLBKK-UHFFFAOYSA-N	303.322	1.661	50	20	DDGD	
CCOC(=O)N1CCC[C@H](C(=O)NNC(=O)c2ccccc2)C1	30549104	NNEWNPFTSXJWEV-ZDUSSCGKSA-N	319.361	1.316	50	20	DDGD	
C[C@H](Cc1ccccc1F)C(=O)NNC(=O)c1cnn(C)c1	78134687	FNMGGUCQBACCCR-SNVBAGLBSA-N	304.325	1.199	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@H]2CCCO2)c1	32262457	VDIZOFGHEAFCNM-CQSZACIVSA-N	320.389	1.824	50	20	DDGD	
CC(C)Cn1cc(C(=O)NNC(=O)CCc2ccccc2)cn1	180978978	SXWXLMGRLVLXNG-UHFFFAOYSA-N	314.389	1.933	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)/C=C/c1cccc(Cl)c1	184212212	SLJMZYZMZAAUHV-VOTSOKGWSA-N	304.755	1.891	50	20	DDGD	
CCn1cc(C(=O)NNc2nnc(-c3ccccn3)s2)cn1	188207259	CWUCCAYMALRKQA-UHFFFAOYSA-N	315.362	1.573	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1cnn(Cc2ccccc2)c1	45499723	RIXFERDNTFKEPU-LICLKQGHSA-N	324.384	1.991	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)Nc1ccncn1	194205873	VPJPHJHNOAMYSF-UHFFFAOYSA-N	310.317	1.284	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)C(C)(C)O)Cc1ccc(Cl)cc1	192928356	RQNHMTJUILDREB-SNVBAGLBSA-N	312.797	1.827	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H]1CN(Cc2ccccc2)CCO1	131557823	RKKJSXDSCAXNOW-AWEZNQCLSA-N	319.405	1.081	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccc2c(c1)CCCC2	81025786	MVCAMUPGKBTGLC-UHFFFAOYSA-N	309.369	1.964	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc(-c2ccccc2Cl)[nH]n1	194924376	NNDQEHFUNAWQPX-UHFFFAOYSA-N	307.741	1.646	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](C)Cc1ccccc1F	131781935	ICUNUHPBHGOBRL-JTQLQIEISA-N	304.325	1.946	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(C(C)(C)C)nn2)nn1	131611439	UJBMWCFIXZKFCN-UHFFFAOYSA-N	302.338	1.330	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)c1n[nH]cc1[N+](=O)[O-]	132502814	DZOLHXMLOFHLDJ-UHFFFAOYSA-N	315.249	1.125	50	20	DDGD	
Cc1n[nH]nc1C(=O)NNC(=O)Cc1cccc2ccccc12	193735488	INCHEWBOEQTNDN-UHFFFAOYSA-N	309.329	1.270	50	20	DDGD	
COc1cccc(C2=NO[C@H](C(=O)NNc3ccncc3)C2)c1	194551207	LXSMJKDWUSKUGY-HNNXBMFYSA-N	312.329	1.727	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)C(=O)c1ccccc1	194284645	WSKYQSAYAQERAY-UHFFFAOYSA-N	300.289	1.399	50	20	DDGD	
CCc1noc2ncc(C(=O)NNC(=O)OC(C)(C)C)cc12	194346893	HXBJHURENUHZCU-UHFFFAOYSA-N	306.322	1.955	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H]2COc3ccc(F)cc3C2)n1	90167270	ZBKOZAAGIAEWOK-JTQLQIEISA-N	318.308	1.319	50	20	DDGD	
CNC[C@@H]1CCCN(C(=O)c2c(C)nn(CCCl)c2C)C1	237195757	HBZNUTQOWQFBDB-ZDUSSCGKSA-N	312.845	1.810	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCCOCC1CC1)c1ccccc1	264887463	UTQOTCGEXLCYAQ-OAHLLOKOSA-N	319.405	1.937	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2CCCc3cn[nH]c32)n1	268942489	FMSZNSFFIOXRPS-SNVBAGLBSA-N	317.353	1.220	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CNC(=O)CCC(C)C	264614202	ONLPDGDNPUQJMG-UHFFFAOYSA-N	321.377	1.009	50	20	DDGD	
O=C(NCc1ccc(OCC2CC2)nc1)NNC(=O)C1CCC1	264687704	CRCRKSNMYZYWTR-UHFFFAOYSA-N	318.377	1.501	50	20	DDGD	
Cc1c(C(=O)O)cccc1S(=O)(=O)NNC(=O)C(C)(C)C	268608896	LSBFVNNWRQQTKB-UHFFFAOYSA-N	314.363	1.049	50	20	DDGD	
COC(=O)CSCCC(=O)NNc1cccc([N+](=O)[O-])c1	269583383	AHLNIVJYWGMOKR-UHFFFAOYSA-N	313.335	1.334	50	20	DDGD	
C#CCCCCC(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C	273288464	SCOBIZFOGYOACP-NSHDSACASA-N	311.382	1.241	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@H]2CCO[C@H](C)C2)c1	271875754	PMEGLXRRKGCFJR-NEPJUHHUSA-N	321.377	1.070	50	20	DDGD	
CC(C)[C@]1(C)C[C@@H]1C(=O)NNC(=O)COc1ccccc1O	274677689	LPSMXIYIKWJRNA-BZNIZROVSA-N	306.362	1.601	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNC(=O)c1ccc(C)o1	276925994	RLZXXLWXJRQCKP-UHFFFAOYSA-N	303.318	1.765	50	20	DDGD	
CC(C)(C)c1nnc2ccc(C(=O)NNc3cnccn3)cn12	274566677	QIARAVUCDGMVNU-UHFFFAOYSA-N	311.349	1.574	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCC(C)(C)CCCO)n1	279792392	CSGYJNUMHOFMJH-UHFFFAOYSA-N	308.382	1.133	50	20	DDGD	
O=C(NC[C@H]1CCCN1C1CCCCC1)NNc1ncccn1	280833527	UNRPRPQPPMMIAS-CQSZACIVSA-N	318.425	1.900	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNC(=O)COc1cc(C)ccc1C	281172782	MYWWJXYKAVTMLS-INIZCTEOSA-N	306.362	1.157	50	20	DDGD	
Cn1ccnc(NNC(=O)c2ccc(C(C)(C)C#N)cc2)c1=O	281330575	AQYBDQIXNMOPTR-UHFFFAOYSA-N	311.345	1.338	50	20	DDGD	
CNc1nnc(CC(=O)NNc2nccnc2C2CCC2)s1	287307142	VZCXXAYSQVRUBE-UHFFFAOYSA-N	319.394	1.323	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@H]1CSC[C@@H]1C	805790660	BYPVXSHFGQJEFP-JQWIXIFHSA-N	323.418	1.320	50	20	DDGD	
CCCC[C@@H](C)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	800277944	YHQNOSUGBXJYCW-NEPJUHHUSA-N	300.399	1.938	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cc(Cl)ncc1Br	809982903	UJSKQOGCKAVQEF-UHFFFAOYSA-N	320.574	1.915	50	20	DDGD	
C#CCOc1ccc(CNC(=O)NNC(=O)OC(C)(C)C)cc1	297589532	RNLQNPSNQNEITD-UHFFFAOYSA-N	319.361	1.938	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cccnc2F)c(C)c1	806365539	QXHBQIDBQJSSQN-UHFFFAOYSA-N	316.336	1.711	50	20	DDGD	
O=C(NNc1ccncn1)c1cccc(OC[C@H]2CCCO2)c1	295509612	PIHDNAJIEBVLQU-CQSZACIVSA-N	314.345	1.791	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)[C@@H]3CC[C@H](C)O3)cc2o1	294036721	XXPIYMYYAKZRIK-UFBFGSQYSA-N	303.318	1.465	50	20	DDGD	
CCc1ccccc1CNC(=O)NNC(=O)[C@H]1CCCCO1	296224650	AZPAKTMMXXFMBD-CQSZACIVSA-N	305.378	1.649	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)co1	802003160	KQNQYXRIDDLPLM-UHFFFAOYSA-N	310.260	1.982	50	20	DDGD	
C[C@@H]1CSC[C@@H]1NC(=O)NNC(=O)COCc1ccccc1	805142899	ZIJSQDCAHXOZNK-YPMHNXCESA-N	323.418	1.285	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc3nccnc3cc2F)O1	294247864	NXBFINYTLBFRGX-SDBXPKJASA-N	318.308	1.097	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H](C)OCCc2ccccc2)n1	294522190	WNLNOLZKHYOAAY-LBPRGKRZSA-N	316.361	1.576	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Nc1cc(F)cc(F)c1)n1cccn1	802001930	AYCZMMUCFGLZKV-MRVPVSSYSA-N	309.276	1.575	50	20	DDGD	
Cc1[nH]nc2ncc(C(=O)NNC(=O)NC3CCCC3)cc12	299361321	SCLRLHLADRNSLN-UHFFFAOYSA-N	302.338	1.153	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2ccc(F)cc2C)ccn1	807002421	XNSINUKULKSKIM-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@@H]1CCCO1)[C@H]1OCCc2sccc21	294153220	VEJAKBPQMXJCOC-XHVZSJERSA-N	324.402	1.324	50	20	DDGD	
O=C(NNC(=O)c1ccnc(F)c1)Nc1cc(F)cc(F)c1	802003804	YKDLVHHHLHMDOG-UHFFFAOYSA-N	310.235	1.965	50	20	DDGD	
C[C@H](CO[C@@H]1CCOC1)NC(=O)NNc1cccc(Cl)n1	292967615	ICCURUJDRIASLA-NXEZZACHSA-N	314.773	1.555	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=Cc1cn(C)nc1O	814215226	NYWQPTMPMSRSER-VIFPVBQESA-N	306.297	1.182	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)CCc1ccc(OC)cc1	812480914	UCEDRPKIJDGPHY-CHWSQXEVSA-N	322.405	1.694	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1cnn(-c2ccc(Cl)cc2)c1	816634319	DVGGDELKVZZKTR-UHFFFAOYSA-N	303.713	1.401	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1cnnn1C	813048302	SESGFZWHWBAUSJ-UHFFFAOYSA-N	316.365	1.329	50	20	DDGD	
COCCC(COC)=NNC(=O)c1ccc2c(c1)OCCO2	812224646	RKGWJHSWTLZJEJ-UHFFFAOYSA-N	308.334	1.227	50	20	DDGD	
CCc1cc(C(=O)NNc2cc(Cl)nc(N)n2)ccc1O	813515165	UULTZILDFFBFMT-UHFFFAOYSA-N	307.741	1.737	50	20	DDGD	
Cc1cc(-n2c(C)cc(C=NNC(=O)c3cnccn3)c2C)no1	818287811	SDCSBWTVXRXPII-UHFFFAOYSA-N	324.344	1.944	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H]2C[C@H](C)Cc3c[nH]nc32)n1	816860451	MBAPFLBLRAGLNU-PSASIEDQSA-N	302.338	1.018	50	20	DDGD	
CCN1CCOC[C@@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	819746788	GBRRRBQXRNFUKT-SECBINFHSA-N	319.192	1.552	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)c3cocn3)cc2C1	729301349	LEFBQLBOQKVMNT-QMMMGPOBSA-N	305.359	1.936	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F	823812271	HMYKXINCZSRJCZ-UHFFFAOYSA-N	312.301	1.217	50	20	DDGD	
O=C(NCCC(F)(F)F)NNc1cccc(-c2nn[nH]n2)c1	823183571	ZXHSDZJAGHVBPD-UHFFFAOYSA-N	315.259	1.445	50	20	DDGD	
CCN(CCO)NC(=O)c1ccn(-c2ccc(F)cc2F)n1	823874415	SYWKKCZWQGDPJV-UHFFFAOYSA-N	310.304	1.110	50	20	DDGD	
Cc1ccnc(NNC(=O)c2sccc2-c2nn[nH]n2)c1	822379963	XJAOBWCJADZRJI-UHFFFAOYSA-N	301.335	1.389	50	20	DDGD	
CCOC(=O)N1CCC[C@H](C(=O)NNc2cc(C)ncn2)C1	491440809	PJUPAJPWJVGMQB-NSHDSACASA-N	307.354	1.097	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1c(F)cccc1F	494726573	PVOZTHWLYGHRCL-UHFFFAOYSA-N	313.304	1.940	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NNC(=O)c1ccccc1	490907352	HFWOBRNABQPSSV-UVTDQMKNSA-N	307.309	1.760	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@@H]1CCCCS1	826643815	BILVWKZOSNBKGI-DCAQKATOSA-N	301.412	1.028	50	20	DDGD	
O=C(CC1CCOCC1)NNc1cccc(-c2nn[nH]n2)c1	826404719	JQHSZOPQWDUQON-UHFFFAOYSA-N	302.338	1.127	50	20	DDGD	
CC[C@@](C)(CC(=O)OC)NC(=O)/C(C#N)=C/c1cnn(C)c1	826844005	XESNQINNICTEHD-MFMIUCCHSA-N	304.350	1.175	50	20	DDGD	
CC(Cc1ccsc1)=NNC(=O)CNC(=O)c1ccco1	729639135	WNMIQPNFEZBUJF-UHFFFAOYSA-N	305.359	1.806	50	20	DDGD	
Cc1ccc(C)n1-c1nc(CC(=O)NN(C)[C@H](C)CO)cs1	823971139	PKJZBTBXAGJBNX-GFCCVEGCSA-N	322.434	1.437	50	20	DDGD	
CCC(CC)(C(=O)NN(C)[C@H](C)CO)C(=O)OC(C)(C)C	823912781	LLXFTMUSELKZEV-LLVKDONJSA-N	302.415	1.478	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccn(CCc2ccncc2)n1	490784130	XIEFNGTWAKGOMX-WYMLVPIESA-N	311.345	1.903	50	20	DDGD	
CC(C)[C@@H](CNCc1cccc(B(O)O)c1)Nc1ccccc1	585015378	YDHREHXIYTVUAN-GOSISDBHSA-N	312.222	1.593	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C[C@@]2(C)CC2(Cl)Cl)cn1	825909703	GMXGAOGZJLXFCZ-JTQLQIEISA-N	305.165	1.155	50	20	DDGD	
COc1ccc([C@@H](C)CCNCc2cccc(B(O)O)c2)cc1	585030158	XGTLUTLPPCYZJF-AWEZNQCLSA-N	313.206	1.658	50	20	DDGD	
CC(C)[C@H](NCc1ccccc1B(O)O)[C@H](O)c1ccccc1	585038848	LMDZAOIBGJXZQS-ZWKOTPCHSA-N	313.206	1.214	50	20	DDGD	
COc1ncc(C(=O)NNC(=O)c2ccc3ccccc3c2)cn1	733950368	BZPDYXWUJDLGRP-UHFFFAOYSA-N	322.324	1.713	50	20	DDGD	
COC(=O)N(C)N=Cc1cc(C)n(CCN2CCOCC2)c1C	496579591	CQKPICWCMMWPRY-UHFFFAOYSA-N	322.409	1.469	50	20	DDGD	
CCc1nocc1C(=O)NNC(=O)COCc1ccccc1	828319421	LYHJJODVOBUELD-UHFFFAOYSA-N	303.318	1.215	50	20	DDGD	
CCO[C@H](C)c1nc(C(=O)Nc2cccc(B(O)O)c2)cs1	584910980	FTBLCMGWVTVYJG-SECBINFHSA-N	320.179	1.173	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	730942419	ATKAFZCVPWCVJF-FPLPWBNLSA-N	321.249	1.390	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H](C(C)C)N(C)C)ccc1F	837038796	YCQGGCRARBUDJJ-ZDUSSCGKSA-N	311.357	1.642	50	20	DDGD	
CC(=O)N(CC(=O)NNC(=O)NC1CCCC1)c1ccccc1	900413748	ZSHFFGRZXWPAPH-UHFFFAOYSA-N	318.377	1.313	50	20	DDGD	
O=C(/C=C\Sc1ccccc1)NNC(=O)Cc1cc[nH]n1	492440663	MJSATXCRPXPBAX-CLFYSBASSA-N	302.359	1.406	50	20	DDGD	
CC(C)Oc1ccc(NCc2ccc(B(O)O)cc2F)cn1	585029218	DIMCRLRBBYDNCN-UHFFFAOYSA-N	304.130	1.300	50	20	DDGD	
CC(C)(C)C(=O)N1CCC(NC(=O)NNC(=O)C2CCC2)CC1	732237963	CTFBPAGHFRSWDM-UHFFFAOYSA-N	324.425	1.154	50	20	DDGD	
CCC(C)(C)OCC(=O)NNc1ccc(-n2ccnc2)nn1	837643081	AEHPZIFIQQHFBM-UHFFFAOYSA-N	304.354	1.311	50	20	DDGD	
OB(O)c1cccc(CNCCCCc2c[nH]c3ccccc23)c1	585037658	GGZSZCHUPKDCJU-UHFFFAOYSA-N	322.217	1.960	50	20	DDGD	
Cn1cc([C@@H]2C[C@H]2C(=O)NNc2ncnc3ccsc23)cn1	836776769	FJCFYEWGHDRSEV-VHSXEESVSA-N	314.374	1.672	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CC2CCOCC2)ccc1F	837036612	HODRWRPPKVJTTC-UHFFFAOYSA-N	310.325	1.872	50	20	DDGD	
CCCCn1ncc(NCc2ccc(B(O)O)cc2F)c1CC	585037591	CSILTJMFDNBYJV-UHFFFAOYSA-N	319.189	1.677	50	20	DDGD	
C=CCNc1nnc(S[C@H](C)C(=O)NNC(=O)CC)s1	735412604	FWBOBLKKGNRKHO-SSDOTTSWSA-N	315.424	1.174	50	20	DDGD	
CCOc1cc(C=NNC(=O)c2cnn(C)c2)cc(Cl)c1O	735410870	AVFLWPRINIAGJX-UHFFFAOYSA-N	322.752	1.942	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1coc(-c2c(F)cccc2F)n1	910145643	DFFMODYMUXTRMF-MRVPVSSYSA-N	311.288	1.577	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(COC(C)C)cc1	732084273	VGLPJZQDSIEGFB-UHFFFAOYSA-N	316.361	1.718	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccsc1NC(=O)c1ccco1	731474657	UEEUANFEQOBPAS-UHFFFAOYSA-N	322.346	1.509	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cnc(-c2ccccc2)nc1	917541186	RTMBHGQPXOATIS-UHFFFAOYSA-N	311.345	1.118	50	20	DDGD	
C[C@@H](C(=O)O)n1cccc1C=NNC(=O)NCC(F)(F)F	833406557	NPZVUQAMOYHZIP-ZETCQYMHSA-N	306.244	1.329	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)N[C@H]1CCCC(F)(F)C1	838522416	GEHSHXJSDBUZCG-VHSXEESVSA-N	305.325	1.464	50	20	DDGD	
CN(C)C(=O)NN=Cc1cnc2cnc(Br)cn12	746370491	MQOAWMRIQYLHDC-UHFFFAOYSA-N	311.143	1.097	50	20	DDGD	
O=C(NC[C@H]1Cc2ccccc2O1)NNC(=O)C1CCCC1	916516031	IVRKOFAGUKNZEF-CYBMUJFWSA-N	303.362	1.511	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)c2cc3ccccc3o2)CCOC1	749569368	BUXIHSCWNUUJEV-MRXNPFEDSA-N	317.345	1.803	50	20	DDGD	
Cc1oc(C(=O)NNc2ccccc2F)cc1S(N)(=O)=O	748056548	HWESDDVAUYUXJP-UHFFFAOYSA-N	313.310	1.131	50	20	DDGD	
O=C(CCn1ccccc1=O)NNC(=O)c1cccc(Cl)c1	914870441	GJUGAIOGCSLKKK-UHFFFAOYSA-N	319.748	1.353	50	20	DDGD	
Cc1ccnn1-c1ccccc1NC(=O)NNC(=O)CCCN	841189014	VQJAHIUKCADALT-UHFFFAOYSA-N	316.365	1.072	50	20	DDGD	
CCNc1nc(C)c(C(=O)NNC(=O)c2ccccc2)s1	748013557	MYWDJTZBPODZCK-UHFFFAOYSA-N	304.375	1.958	50	20	DDGD	
COc1cccc(/C(C)=C/C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	843654904	SXVZCMKPEAFOOA-PVUWTNIMSA-N	318.373	1.671	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@](C)(O)Cc1ccccc1	746015398	TXWJDRULBIBUAD-SFHVURJKSA-N	312.369	1.750	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1cc(C)ccc1OC	748258641	BLKJFMOIYBAXOT-ZDUSSCGKSA-N	308.378	1.895	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)OC(C)(C)C)c(-c2ccncc2)n1	745835624	SDJGWGGSBKWRFS-UHFFFAOYSA-N	317.349	1.652	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H](C)Cc1cccc(F)c1	843649751	XDBPATXMYXJSTP-UHIISALHSA-N	308.353	1.577	50	20	DDGD	
COC(=O)c1ccc(C(C)=NNC(=O)[C@H]2CCO[C@@H]2C)cc1	842555156	QEOYVZKHZJFRGY-RISCZKNCSA-N	304.346	1.738	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)NC(C)C)c(Br)s1	847401911	RNWBSMATOBXEPV-UHFFFAOYSA-N	321.200	1.566	50	20	DDGD	
O=C(CCN/C(O)=C1/N=CC=CC1=O)NNc1ccc(F)cc1	746112299	YAMOIDUYPAZHSQ-PFONDFGASA-N	318.308	1.185	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)CC1CC1)N1CCc2ccccc21	848144155	MFYDVBOCCGOPDN-GFCCVEGCSA-N	301.390	1.775	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cn2cnc3ccccc32)n1	746630340	IKISHUSGOQJRCQ-UHFFFAOYSA-N	312.333	1.287	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnc(N(C)C)c(Cl)c1	847392247	QCIZDMLBTGSHJF-UHFFFAOYSA-N	313.789	1.545	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2cccc(C(F)(F)F)n2)CC1=O	740133172	ZIIORKKENVPWFU-QMMMGPOBSA-N	316.283	1.412	50	20	DDGD	
COC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)NC2CCCC2)C1	746174913	VWIOIVBSTORPIC-MNOVXSKESA-N	311.382	1.239	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cccc(Cl)c1[N+](=O)[O-]	749923015	HTVWPPMAOZFVEL-UHFFFAOYSA-N	312.713	1.602	50	20	DDGD	
C[C@H]1OC(=O)N[C@@H]1C(=O)NNc1ccc(OC(F)(F)F)cc1	841408323	JSKZEGKCTMTKNX-MUWHJKNJSA-N	319.239	1.525	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)c1cccc(C)n1)CC(C)C	841585727	JJRKTGDQIFYZEI-LBPRGKRZSA-N	308.382	1.395	50	20	DDGD	
COCCOc1ccc(C(=O)NN(C)C[C@H](C)O)c(Cl)c1	910159494	IOWNCZDRLNYZRA-JTQLQIEISA-N	316.785	1.323	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(F)c(F)c(F)c1	843643734	AGGGBSJJSSASHZ-HTRCEHHLSA-N	302.252	1.290	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CC1(C#N)CCCCC1	849907015	PCEZCRRJBRIMBZ-LLVKDONJSA-N	309.366	1.340	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1cccc(F)c1	843651044	JYZACASLKKIQIY-BBGYYPMSSA-N	306.337	1.801	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1C[C@H]2CC[C@@H](O)[C@H]2C1	924016857	IQDHYZDQQKMHGR-QZKLJOCISA-N	300.333	1.962	50	20	DDGD	
CS(=O)(=O)CC(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	746895626	VOUYPJVGMASMFO-UHFFFAOYSA-N	321.280	1.065	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(F)c1F)[C@@H](C)S(C)(=O)=O	841408494	LMHJCMPYPXFGSZ-HTQZYQBOSA-N	306.334	1.477	50	20	DDGD	
NC(=O)NCCC(=O)NNc1ccc(Br)cc1F	749267521	FKTHGLSZBNCUKM-UHFFFAOYSA-N	319.134	1.090	50	20	DDGD	
CN(NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C1CC1	848593359	GBJOSEUPSFNLIB-UHFFFAOYSA-N	301.249	1.692	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)N[C@H]2COC[C@@H]2C)c1	925991792	PNTWQRPUVGTJHE-STQMWFEESA-N	321.377	1.048	50	20	DDGD	
Cn1cc(C=NNC(=O)CSc2ccc(Cl)cc2)nn1	755519115	HFYVUQURXZRLFY-UHFFFAOYSA-N	309.782	1.711	50	20	DDGD	
C[C@H]1Cc2cc(CNC(=O)NNC(=O)C3CCC3)ccc2O1	926458748	ZBNBDLSNEPAECD-JTQLQIEISA-N	303.362	1.641	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)CCNC(C)(C)C)c1	929267239	CCPCXGMPFGPAOY-UHFFFAOYSA-N	323.393	1.243	50	20	DDGD	
CO[C@H](C)CNC(=O)NNC(=O)Nc1ccc(Cl)cc1	852534973	SNVMJAGBBCMWAX-MRVPVSSYSA-N	300.746	1.711	50	20	DDGD	
COC(=O)c1coc(C=NNC(=O)COc2ccc(F)cc2)c1	758081701	BQXLBBAHSDIBMH-UHFFFAOYSA-N	320.276	1.734	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(-n2ccnc2S)cc1	921038366	WPLRXNRXWJVDKZ-UHFFFAOYSA-N	319.390	1.515	50	20	DDGD	
CC(C)(C)n1nnc(CNC[C@@]2(C)C[C@@H]2Br)n1	856809909	RRUDFWGLNXBEFS-GZMMTYOYSA-N	302.220	1.691	50	20	DDGD	
CCOc1ccccc1NC(=O)NNC(=O)c1cnccn1	755404361	BDMLUQRVABAHOR-UHFFFAOYSA-N	301.306	1.342	50	20	DDGD	
C[C@@H]1COC[C@H]1NC(=O)NNC(=O)c1nc2ccccc2s1	926032178	OKMQTXFTGRFVAW-PSASIEDQSA-N	320.374	1.275	50	20	DDGD	
O=C(CNC(=O)Nc1cccc(Cl)c1)NNc1ncccn1	857434387	FDJWRXDFUMXFAJ-UHFFFAOYSA-N	320.740	1.395	50	20	DDGD	
Cn1ccnc(NC(=O)NC[C@]2(C)C[C@@H]2Br)c1=O	856854430	LQCHFNIDMNIFPO-CPCISQLKSA-N	315.171	1.075	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)Nc1cnn(C(F)F)c1	757867758	UZYPEUPCVYEOKD-UHFFFAOYSA-N	313.239	1.884	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1c(C2CC2)cnn1C	853311456	VECVIMZAXBQOEI-UHFFFAOYSA-N	305.382	1.052	50	20	DDGD	
CC(=NNC(=O)c1cc[nH]n1)c1ccc(N2CCOCC2)cc1	853393072	SDPAMOSDLPCRDE-UHFFFAOYSA-N	313.361	1.400	50	20	DDGD	
COCC(=O)N(C)CC(=O)NNc1cc(F)cc(Cl)c1	855618334	BRGBRFCZZIBGNI-UHFFFAOYSA-N	303.721	1.027	50	20	DDGD	
CCCN(Cc1ccc(F)cc1)C(=O)NNC(=O)c1cn[nH]c1	858704719	WCYJVFNZZWFKBV-UHFFFAOYSA-N	319.340	1.815	50	20	DDGD	
CCC(CC)CC(=O)NNC(=O)CNC(=O)c1cccs1	759180277	NOVZBCWVDPLMTR-UHFFFAOYSA-N	311.407	1.452	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)C2=S=CC(Cl)=C2)cc1	757898810	MOPQOVGQZXHLTP-UHFFFAOYSA-N	305.746	1.163	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H]1CCN(c2ccccc2F)C1	854921250	NFDHJGFLCWRJGL-SNVBAGLBSA-N	310.398	1.119	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CO)ccc1C(=O)OC(C)(C)C	757793942	MHCKYTQMNYGERQ-UHFFFAOYSA-N	323.349	1.095	50	20	DDGD	
C[C@]1(CNC(=O)c2coc(C(N)=O)c2)C[C@@H]1Br	857394886	PKWQGKTWTWRECB-GZMMTYOYSA-N	301.140	1.282	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cnc2c(C)cccn12	755577098	RDXIQSZIUYSUOF-UHFFFAOYSA-N	301.394	1.825	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCc1ccc([C@H]2C[C@H]2C)o1	920862756	CVSITDPHAFGLKJ-YPMHNXCESA-N	323.393	1.703	50	20	DDGD	
CCOCCn1cc(C(=O)NNc2nccnc2Cl)cn1	857127706	SMKYHVCQJJYVSW-UHFFFAOYSA-N	310.745	1.120	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCCCC#N	753265317	XIQFAJBNACYVHQ-SNVBAGLBSA-N	308.313	1.227	50	20	DDGD	
CC[C@@H](c1ccncc1)N(C)C(=O)NNC(=O)c1cn[nH]c1	858703909	AVLJCHDRFYOICP-LBPRGKRZSA-N	302.338	1.242	50	20	DDGD	
CCCCS(=O)(=O)CC(=O)NNc1cc(F)cc(OC)c1	935023532	GLOHLZBPXYBEOO-UHFFFAOYSA-N	318.370	1.492	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H](c1ccccc1)N(C)C)C1CC1	855099313	WGPGLXWVJGSRFO-SMDDNHRTSA-N	320.462	1.583	50	20	DDGD	
CCCN1CCC[C@H]1CNC(=O)NNC(=O)c1cccc(F)n1	854060999	SLAGLNXAGVHWKP-NSHDSACASA-N	323.372	1.039	50	20	DDGD	
COc1cc(C(=O)NNc2oc(C(C)C)nc2C#N)sn1	857085539	DYYOFGORZQQNPL-UHFFFAOYSA-N	307.335	1.892	50	20	DDGD	
COCCOCCCNC(=O)NC[C@@]1(C)C[C@H]1Br	856857766	JUGNUTKPYMCWCI-ZYHUDNBSSA-N	323.231	1.512	50	20	DDGD	
Cn1nncc1NNC(=O)CCc1cccc(OC(C)(C)C)n1	857274036	YBQGBDCFDNKWLD-UHFFFAOYSA-N	318.381	1.463	50	20	DDGD	
N#Cc1ccccc1C=NNC(=O)Cc1cn2ccccc2n1	755752962	LQAALNYARJPVDK-UHFFFAOYSA-N	303.325	1.899	50	20	DDGD	
CS(=O)(=O)Nc1cc(C(=O)N2CC=C(C#N)CC2)ccc1F	767178377	RBVNZJMAQCDROM-UHFFFAOYSA-N	323.349	1.493	50	20	DDGD	
COCCn1c(C)cc(C=NNC(=O)Cc2cc(C)[nH]n2)c1C	767406975	DCHPSQDXMNEFNJ-UHFFFAOYSA-N	317.393	1.476	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1n[nH]c2cc(C(=O)O)ccc12	765578011	VAAJIQJEFHKNLV-UHFFFAOYSA-N	323.312	1.349	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@@H]2C)c1O	863861320	QRNUYJFAUDDJEY-YVNDNENWSA-N	322.361	1.221	50	20	DDGD	
CSCCNC(=S)NNC(=O)CSCC(F)(F)F	769768480	BHJAYIGKIAMPQX-UHFFFAOYSA-N	321.415	1.140	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1	765328002	SJEPGIDSTNXXAP-ZIAGYGMSSA-N	305.378	1.893	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2nocc2C)c1	864460115	SXAOWBLBPIHCBY-UHFFFAOYSA-N	303.318	1.440	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)cc[nH]1	862512163	MRCLKTZJBWRCCG-DDHJBXDOSA-N	315.295	1.611	50	20	DDGD	
O=C(NNc1cnccn1)Nc1ccc2c(c1)OCCCO2	769933445	AWQHATIOWZIPCQ-UHFFFAOYSA-N	301.306	1.787	50	20	DDGD	
O=C(CCC1(O)CCC1)NNC(=O)c1cc2ccccc2o1	866370606	YHVHQPRQRPRCBR-UHFFFAOYSA-N	302.330	1.889	50	20	DDGD	
COc1ccc(OCC(=O)NN=CC2(OC)CCOCC2)cc1	761748750	DVOCATJZXFLELD-UHFFFAOYSA-N	322.361	1.372	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H]2CC[C@H](C(C)C)CC2)n[nH]1	869013855	AEARHCCZGSNMIA-JOCQHMNTSA-N	306.410	1.870	50	20	DDGD	
O=C(CC(C1CCC1)C1CCC1)NNC(=O)[C@@H]1CCC(=O)N1	862463341	BAZDCRHHQLLSNH-ZDUSSCGKSA-N	307.394	1.019	50	20	DDGD	
O=C(NNC(=O)c1ccn(-c2ccc(F)cc2F)n1)NC1CC1	766641322	WLOJSAZADYFLSR-UHFFFAOYSA-N	321.287	1.257	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCCCS(C)(=O)=O	767311418	FLUSHCUFLPFBSX-QMMMGPOBSA-N	314.245	1.347	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCCNc1ncccn1	767329010	VSDIJHJJTMVXNR-SECBINFHSA-N	315.215	1.814	50	20	DDGD	
CC(C)n1ncc2cc(NC(=O)NNC(=O)C3CC3)cnc21	764619500	PYDXNAWWAJZNKV-UHFFFAOYSA-N	302.338	1.575	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)NCC1CC1)c1ccccc1F	760170996	XHSBHBPWQPVOLV-OAHLLOKOSA-N	309.341	1.428	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C[C@@H]1C[C@H]2CC[C@H]1C2	762434615	RLVBIJVFWXGAFJ-OBJOEFQTSA-N	300.362	1.350	50	20	DDGD	
CN1C[C@@H](NC(=O)NNc2cccc(F)c2Cl)CC1=O	875349367	CFJBTLJVJWNTAT-ZETCQYMHSA-N	300.721	1.336	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@@H](C)c2c(C)noc2C)cc[nH]1	875413856	VQGVUEIENHEGNO-SECBINFHSA-N	303.366	1.847	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2cncc(F)c2)nc1C	778425230	OGLOIIHBAYJQNY-UHFFFAOYSA-N	319.296	1.253	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC2(C(F)(F)F)CC2)n1	1119865074	XJOHZRWECGUJBL-UHFFFAOYSA-N	302.256	1.429	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(F)cc1	771880032	CSXUVLRSPDHVAR-JTQLQIEISA-N	310.325	1.565	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNc1ccc(-c2ccccc2)nn1	879118883	SHZWFGSREBVXNG-CYBMUJFWSA-N	313.361	1.501	50	20	DDGD	
CCOc1cc(C(=O)NNC(=O)[C@H](CC)c2ccccc2)[nH]n1	1118659364	DPEVRDYUCRBOSF-GFCCVEGCSA-N	316.361	1.763	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)c1cncn1-c1ccccc1	1117740157	CBAXLEDXXPYHPI-AWEZNQCLSA-N	316.361	1.448	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)CCc2ccccc2O)n(C)n1	878750170	VHLDLQTVYYYUIV-UHFFFAOYSA-N	316.361	1.082	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2CCOCC2)cc1C1CC1	883068807	IRVDYPDDRUVJLD-UHFFFAOYSA-N	318.373	1.760	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)c1cnn(C)c1C	778541104	AZEYDSYFJRCHCU-UHFFFAOYSA-N	315.333	1.972	50	20	DDGD	
C[C@@H](CBr)CN1CCN(c2ncc(F)cn2)CC1	770667558	HOKJDTOPSFFUBE-JTQLQIEISA-N	317.206	1.769	50	20	DDGD	
Cn1c(=O)oc2c(NC(=O)NNc3cnccn3)cccc21	770073214	FDLWQJSVNVVPAR-UHFFFAOYSA-N	300.278	1.070	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)n1cc(-c2ccsc2)nn1	881291380	OVLJWGBSIWFMDG-JTQLQIEISA-N	321.406	1.761	50	20	DDGD	
CC(=O)N1CCC(C(=O)NNc2nccnc2C(C)C)CC1	772814513	HAYKLTIFWPNKPR-UHFFFAOYSA-N	305.382	1.302	50	20	DDGD	
Cc1nnc2n1C[C@H](C(=O)NNc1cc(F)ccc1F)CC2	885143093	SZSNQBZDWQYDGM-SECBINFHSA-N	307.304	1.570	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)CCCCl)CCN1CC(F)(F)F	882028809	GBUGTNINMZVGIA-VIFPVBQESA-N	322.780	1.514	50	20	DDGD	
COC(=O)N1CCC(C(=O)NNc2cc(F)ccc2F)CC1	885141561	HLPXRJWNTFQXRH-UHFFFAOYSA-N	313.304	1.886	50	20	DDGD	
COC1CCC(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1	780145107	JLDYESMNLDDZQK-UHFFFAOYSA-N	321.333	1.561	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NN(C)c2ccccc2)cc1F	783433997	ARFRVKLDBGICHN-UHFFFAOYSA-N	317.320	1.940	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)CCc1ccccc1)[C@H]1CCCOC1	780042188	BPJIXRKNBDXCCS-ZFWWWQNUSA-N	319.405	1.765	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)C(=O)Nc2cnc(C)nc2)c1	784884990	QMVFNRIAZWTUKL-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)COC[C@H]2CCCO2)c1	780793264	VWLAXMRHFKJSDE-CYBMUJFWSA-N	308.334	1.112	50	20	DDGD	
C[C@@H]1CC[C@@H](NC(=O)NNC(=O)COc2ccccc2C#N)C1	780783638	WJYYASJLHNRVIM-DGCLKSJQSA-N	316.361	1.456	50	20	DDGD	
COC(=O)COc1ccccc1/C=C(\C#N)C(=O)N1CCCC1	899339568	YUZBEANJECFAII-GXDHUFHOSA-N	314.341	1.768	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NC[C@H](O)c1ccncc1	787469393	VCYYDBUGEJZBNF-MBSJSRAVSA-N	309.325	1.544	50	20	DDGD	
CCC(=O)N1CCc2ccc(NCc3ccc(B(O)O)cc3)cc21	897765825	BUDFWHVRJZOFCZ-UHFFFAOYSA-N	324.189	1.278	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1cn(Cc2ccccc2)nn1	899336202	QBQBCJPNQBNJCW-NTEUORMPSA-N	312.329	1.423	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cc(-c2cnn(C)c2)ccc1F	782536896	BPGWVEJHYJUEMV-UHFFFAOYSA-N	304.325	1.643	50	20	DDGD	
C=CCCCCCC(C)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	788995040	QOQFJDKTFRDYDQ-CYBMUJFWSA-N	315.439	1.985	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)NCCC#N)c1	787371631	POZDZKPVMJANGZ-UHFFFAOYSA-N	318.377	1.741	50	20	DDGD	
COc1ccc(F)c(C(=O)NNc2nccnc2OC)c1OC	788591930	XVAWGACHAAFETR-UHFFFAOYSA-N	322.296	1.398	50	20	DDGD	
C[C@@H](Cc1ccccc1)NC(=S)NNC(=O)c1cnn(C)c1	786078155	KLLWMHNIIFNTKI-NSHDSACASA-N	317.418	1.160	50	20	DDGD	
CC[C@@H]1C[C@@H](CC(=O)NNC(=S)NCC2CCC2)CCO1	781683795	FJJSAKWZGPKANR-QWHCGFSZSA-N	313.467	1.877	50	20	DDGD	
CS(=O)(=O)c1ccccc1CC(=O)NNc1ccccn1	786526883	OGWPHTHAYHKQHC-UHFFFAOYSA-N	305.359	1.171	50	20	DDGD	
N#CC[C@@H](CC(=O)NNc1ncnc2[nH]cnc12)c1ccccc1	795116788	WAFZBSYQSXGNRM-LBPRGKRZSA-N	321.344	1.884	50	20	DDGD	
Cn1c(Cl)cnc1C=NNC(=O)c1ccc2c(c1)OCO2	799466732	OCLBQLTVKRTSMY-UHFFFAOYSA-N	306.709	1.566	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cn(C)cn2)c2ccccc2n1	799009531	AZWHHJNIEZVKMS-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
COc1ccc(NC(=O)NNc2ncccc2C)c(OC)n1	792281175	IPQZZPALNHFFNX-UHFFFAOYSA-N	303.322	1.951	50	20	DDGD	
Cc1cccc(C(=O)NNC(=S)NC(C2CC2)C2CC2)n1	795011098	CUCFMMMMFHUZNN-UHFFFAOYSA-N	304.419	1.688	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)NCC1CC1)c1ccc2c(c1)OCO2	794246094	DIDRVTISAQOVDL-SECBINFHSA-N	305.334	1.259	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(Cl)c(Cl)cc1OC	792445383	XWEVGNQPRLFUPZ-UHFFFAOYSA-N	322.148	1.801	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ccnc(Cl)c2F)c1Cl	1319616961	VIZCAQJXKNGIOE-UHFFFAOYSA-N	317.111	1.657	50	20	DDGD	
Cc1nc(CC(=O)NNc2nncc(N)c2Cl)c(C)s1	1319302490	GADFAOBRXVOHGF-UHFFFAOYSA-N	312.786	1.471	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=Cc1ccc(OC(F)F)cc1	1317718489	YFGRVCFYKOKRGN-UHFFFAOYSA-O	306.292	1.726	50	20	DDGD	
O=C(CCc1nc2cccnc2[nH]1)NNC(=O)NC1CCCC1	1318602651	CZOXLSJDTPQFTH-UHFFFAOYSA-N	316.365	1.164	50	20	DDGD	
Cn1cc(C(=O)NNc2nncc(N)c2Cl)c(C(F)F)n1	1319486498	RHAIVXUJJCHXPO-UHFFFAOYSA-N	317.687	1.140	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1cnn(C(F)F)c1	1326291171	UEZGJMFKKGKPCN-UHFFFAOYSA-N	310.264	1.063	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2cnc3ccccc3n2)n1	1320866824	SKTODZHBZKERQD-UHFFFAOYSA-N	322.328	1.141	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cc(C)ncn2)c(OC)c1	1324216915	IKUZILWDGQPVJZ-UHFFFAOYSA-N	300.318	1.566	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc3c(c2)CCO3)cc1	1248586645	LZUMOEXSQRMOOR-UHFFFAOYSA-N	312.325	1.705	50	20	DDGD	
C[C@@]1(CNC(=O)[C@@H]2C[C@H]2C2CCNCC2)C[C@@H]1Br	1331052160	ZZBDLGCNEPXCPM-OPDFLTKYSA-N	315.255	1.912	50	20	DDGD	
C[C@]1(C(=O)N2CC[C@]3(CCOC3=O)C2)C[C@H]1Br	1337620764	RBRCTQZEDAGMTR-ZHAHWJHGSA-N	302.168	1.326	50	20	DDGD	
CO[C@]1(C(=O)NNC(=O)c2cc(C)cs2)CCSC1	1331484706	VTVFRUAQYGEIJH-GFCCVEGCSA-N	300.405	1.340	50	20	DDGD	
Cc1cccc(C)c1NC(=O)C(=O)NNC(=S)NC(C)C	1333357188	LZYLYBWDGXYYOI-UHFFFAOYSA-N	308.407	1.146	50	20	DDGD	
CC(C)c1cnc(NC(=O)NNC(=O)C2CCNCC2)s1	1345112901	XZZWTPNGRLDWIF-UHFFFAOYSA-N	311.411	1.419	50	20	DDGD	
CCc1nocc1C=NNC(=O)c1nnc(O)c2ccccc12	1343878286	TVTULUVHQNMUNI-UHFFFAOYSA-N	311.301	1.650	50	20	DDGD	
CNc1ccc([N+](=O)[O-])cc1C(=O)NN[C@H](C)C(F)(F)F	1351618783	ZHYDZWVXOIKLDK-ZCFIWIBFSA-N	306.244	1.822	50	20	DDGD	
Cc1cc(CNC(=O)NNc2ccc(F)c(C(=O)O)c2)ncn1	1600199880	AGKPXBXRWVHQIW-UHFFFAOYSA-N	319.296	1.449	50	20	DDGD	
Cc1c(NNC(=O)Nc2cc(C)n(C)n2)cccc1C(=O)O	1600053501	HXDJHJHZEOEQBI-UHFFFAOYSA-N	303.322	1.884	50	20	DDGD	
CC(C)(C)OCCCC(=O)NNc1ccc(-c2nn[nH]n2)cc1	1609079676	MCEGUQBDAPPMCP-UHFFFAOYSA-N	318.381	1.905	50	20	DDGD	
Cn1nc(C(=O)O)cc1NC(=O)NNc1cc(F)ccc1F	1601004517	FXCNBJIRPGSNMN-UHFFFAOYSA-N	311.248	1.545	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H](C(=O)NNc2cccc(C(F)(F)F)n2)O1	1602177172	UKJGIGDYNZMTEY-RQJHMYQMSA-N	319.239	1.176	50	20	DDGD	
Cc1c(NNC(=O)N[C@H](C)C[S@@](C)=O)cccc1C(=O)O	1600050187	BIKBSVYOARALKB-IJSAXESFSA-N	313.379	1.086	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1cc(C(=O)O)ccc1F	1600675344	UYIOALCVOLVXMR-UHFFFAOYSA-N	321.268	1.022	50	20	DDGD	
NC[C@H]1CCCC[C@@H]1NC(=O)NNc1ccc(C(=O)O)cc1F	1601187470	SKMZWXQLLYJLOQ-PWSUYJOCSA-N	324.356	1.668	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)N[C@H]1C[C@H](C(=O)O)C1	1601559645	XKOWYCWCGQHOPG-HOMQSWHASA-N	316.317	1.017	50	20	DDGD	
O=C(O)[C@H]1C[C@H]2CC[C@H]1N(CCI)C2	1601791417	PCEQZXJKGGRXQN-HRDYMLBCSA-N	309.147	1.607	50	20	DDGD	
C[C@H]1CNc2c(C(=O)NNC(=O)Cc3ccsc3)cnn2C1	1548649018	PDIYDKYLSNDEKG-VIFPVBQESA-N	319.390	1.010	50	20	DDGD	
O=C(NN=C1CCOc2ccccc21)[C@@H]1CN2CCC[C@H]2CO1	1549315511	NSWZMFOZIAEJDZ-LRDDRELGSA-N	315.373	1.153	50	20	DDGD	
COC[C@@H](NC(=O)NNc1ccc(C(=O)O)c(F)c1)C1CC1	1610249858	HKVJMDSERKSCJI-GFCCVEGCSA-N	311.313	1.575	50	20	DDGD	
CC(C)c1ncc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)s1	1549320093	YBNVLHGVCMLSKZ-WCQYABFASA-N	322.434	1.580	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(C(=O)O)ccc2Cl)n1	1610369169	AGIWIGMOUMMKLD-UHFFFAOYSA-N	322.708	1.594	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)cc(Cl)n1	1549318632	CSVQYZVMSFJVBV-STQMWFEESA-N	322.796	1.357	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@H]1C=NNC(=O)c1cnn(C)c1	1552759243	LVNMFOCVABGEQY-AAEUAGOBSA-N	316.365	1.130	50	20	DDGD	
Nc1ccoc1C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	1580464187	OOCMCWRBDCIXFJ-UHFFFAOYSA-N	311.301	1.327	50	20	DDGD	
O=C(Oc1ccc([N+](=O)[O-])c2ncccc12)[C@@H](F)[C@@H]1CCNC1	1580805854	YTSFZFAPDDNWOR-RNCFNFMXSA-N	319.292	1.996	50	20	DDGD	
CC(C)O[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1844327691	DNXRISAIBJLKST-MNOVXSKESA-N	320.792	1.538	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](CC)NC)C1	1843005126	JCFAPSUXEZUHEV-VXGBXAGGSA-N	315.845	1.205	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNc1ccc(CC(=O)O)cc1	1598831758	LRBPUWGBRSVAIX-UHFFFAOYSA-N	322.361	1.736	50	20	DDGD	
CN(NC(=O)c1ccc(/C=C/C(=O)O)o1)C(=O)OC(C)(C)C	1598541681	PXHAMEDRJYXPNQ-SOFGYWHQSA-N	310.306	1.889	50	20	DDGD	
CCC(=O)C(=O)N1CC2(CCCN2C(=O)C(C)(C)CCl)C1	1841227351	BHAPNTQIJDNPHY-UHFFFAOYSA-N	314.813	1.434	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)c1cccc(-c2nn[nH]n2)n1	1593163786	IQIBHNAHJHNCTE-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)Nc1cncc(C(=O)O)c1	1594779647	AHGXQSZPWLBYLE-UHFFFAOYSA-N	307.697	1.977	50	20	DDGD	
CCCN(NC(=O)[C@@H]1CC[C@@H]1C(=O)O)C(=O)OC(C)(C)C	1595894430	DKXVKJCBIGQPRR-ZJUUUORDSA-N	300.355	1.776	50	20	DDGD	
CC[C@@H]1C[C@H]1C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1590868994	NUWGHHZCWZURIO-HTQZYQBOSA-N	305.342	1.467	50	20	DDGD	
C[C@@](O)(Cc1ccccc1)C(=O)NNc1ccccc1C(=O)O	1593420433	URUGOBSTEVBUAP-QGZVFWFLSA-N	314.341	1.822	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccc(C)c(C(=O)O)c2)cn1	1599271078	DEAMBOCQIZHJAZ-UHFFFAOYSA-N	318.333	1.293	50	20	DDGD	
COCC(=O)NN=Cc1cc(C(=O)O)ccc1Br	1776048729	VGRMVLLEXCXCFE-UHFFFAOYSA-N	315.123	1.244	50	20	DDGD	
Cc1cc(S(=O)(=O)N(C)C)cc(NC=C(C#N)C#N)c1C	15242729	FSYQHKMOAVONAC-UHFFFAOYSA-N	304.375	1.897	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CNc2ccc(C)cc2C)nc1	156202174	DRGLSYUZEFSRGI-UHFFFAOYSA-N	312.373	1.880	50	20	DDGD	
COc1ccc(NNC(=O)NCc2nc(C)c(C)s2)nc1	157458255	KVGMXSOPIZDRKZ-UHFFFAOYSA-N	307.379	1.990	50	20	DDGD	
CN(CCCS(C)(=O)=O)NC(=O)OCc1ccccc1	859386870	GLSKAPXGQSEEQW-UHFFFAOYSA-N	300.380	1.194	50	20	DDGD	
O=C(O)CCSSCCNC(=O)[C@H]1CCCCC(=O)N1	2088604201	YWZZGCZIERKGPF-SECBINFHSA-N	320.436	1.018	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NNC(=O)CC)cc1OCC	7927817	WDKPKOSFWHHHAO-UHFFFAOYSA-N	316.379	1.204	50	20	DDGD	
CC(C)Sc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1	106452528	YMOHBMPJWOWSND-UHFFFAOYSA-N	318.402	1.914	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccccn2)c(OC)c1	8197753	TXAZONIPCNVNIG-UHFFFAOYSA-N	301.302	1.174	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNC(=O)Cc2cccnc2)cn1	103423758	FBHDIMYZVIZNQA-UHFFFAOYSA-N	314.345	1.268	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)Cc1ccc(OC)c(C)c1	111219113	CYZNMKZISZTGEK-GFCCVEGCSA-N	307.394	1.381	50	20	DDGD	
C[C@H]1CCCC[C@H]1OCC(=O)NNC(=O)c1ccc(C#N)cc1	112885751	XMUDJVHKOLHLOT-SWLSCSKDSA-N	315.373	1.915	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)c1ccc([N+](=O)[O-])o1	61481645	FTAKJOLCJMPSQS-UHFFFAOYSA-N	319.273	1.418	50	20	DDGD	
COCC[C@@H](C)NC(=O)NNC(=O)c1c[nH]c2ccccc12	101613235	ZWJGQYWPVUPNFT-SNVBAGLBSA-N	304.350	1.537	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc3cc[nH]c3c2)n1	59003826	ZLTCUNWKUKHIHD-UHFFFAOYSA-N	311.345	1.442	50	20	DDGD	
Cc1cc(N(C)C)ccc1CNC(=O)NNc1ncccn1	115854619	RFKWRLKDBKXXJS-UHFFFAOYSA-N	300.366	1.677	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)COCC)cc1OC	22443405	DTUODLGAYLRSCI-UHFFFAOYSA-N	324.377	1.672	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NNC(=O)N1CCOCC1	178648349	LJRGCCHZRDSQQM-WDEREUQCSA-N	309.391	1.233	50	20	DDGD	
COc1ncc(C(=O)OC[C@@]2(C)C[C@H]2Br)cn1	1346559320	YKWMLCNIIONYBI-LDYMZIIASA-N	301.140	1.816	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)C(F)(F)c1ccccc1	171510896	JWNMZPSOHJPSGV-UHFFFAOYSA-N	305.284	1.564	50	20	DDGD	
CN(C)Cc1ccc(C(=O)NNC(=O)c2ccc(C#N)cc2)cc1	119715396	TYBXQEZPBAKBBU-UHFFFAOYSA-N	322.368	1.695	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2csnc2C)c1	179664677	BNQZJKHWZFXHEO-UHFFFAOYSA-N	319.386	1.908	50	20	DDGD	
O=C(/C=C/c1ccc(O)cc1)NNC(=O)Cc1ccccc1F	125073833	VRRJEYRUCWHQPA-JXMROGBWSA-N	314.316	1.935	50	20	DDGD	
CCc1nc(NC(=O)NNc2nccc(OC)n2)sc1C	187389053	PITUUHSOXLGKJD-UHFFFAOYSA-N	308.367	1.961	50	20	DDGD	
O=C(Cc1cc2ccccc2[nH]c1=O)NNc1ncc(F)cn1	122448065	UTVRIWPIWQQRFT-UHFFFAOYSA-N	313.292	1.143	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cc([N+](=O)[O-])ccc1N1CCCC1	72967629	ISDDSLLBFRMDQV-UHFFFAOYSA-N	318.333	1.366	50	20	DDGD	
CCCCc1ccc(CC(=O)NNC(=O)Cc2cc[nH]n2)cc1	186151315	RMPQFBUFIKBRCY-UHFFFAOYSA-N	314.389	1.685	50	20	DDGD	
CCC(CC)CC(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1	128850431	NFAOPMHNRWRXIY-BETUJISGSA-N	313.442	1.459	50	20	DDGD	
CS[C@@H](CO)[C@H](C)NC(=O)c1c(C)nn(CCCl)c1C	126509688	HZXMRKSVXDGQJC-KWQFWETISA-N	319.858	1.581	50	20	DDGD	
CC(=O)NNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1	125321842	AMIYCSSPDNYFKG-UHFFFAOYSA-N	316.365	1.737	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)s1	122653448	ZYJYUMDTYBXXCY-MWLCHTKSSA-N	322.434	1.626	50	20	DDGD	
CN1CC[C@H](C(=O)NNC(=O)CCCc2ccccc2)CC1=O	77345241	MIPIIKPHDZAFPW-AWEZNQCLSA-N	317.389	1.025	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CCc1ccc(O)cc1	183744071	NPMVFKFLMIOIFA-UHFFFAOYSA-N	314.341	1.795	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cc(C(N)=O)ccc2F)o1	184395817	GFQIEFTYJICQBC-UHFFFAOYSA-N	320.280	1.293	50	20	DDGD	
CC1(C)C[S@](=O)CCN1S(=O)(=O)CCCCCl	189196708	HXXPLVBTUPXOKE-MRXNPFEDSA-N	301.861	1.178	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)Nc1ccon1	183554055	JKXUXDROWGRCQH-UHFFFAOYSA-N	300.278	1.097	50	20	DDGD	
O=C1NC(=O)C2(CCN(C(=O)c3cccc(CCl)c3)CC2)N1	314433378	GQVKYPGCWZRDSO-UHFFFAOYSA-N	321.764	1.240	50	20	DDGD	
Cc1cncc(C(=O)NNC(=O)c2cc(Br)c[nH]2)c1	79336663	TXIHFFLGASYTBZ-UHFFFAOYSA-N	323.150	1.555	50	20	DDGD	
CCSc1cc(CNC(=O)NNc2ncccn2)ccn1	188103466	ZDRWSKVXUCXADZ-UHFFFAOYSA-N	304.379	1.810	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1cc2cc(Cl)ccc2s1	131710204	GAPSJIKUOGHNTM-UHFFFAOYSA-N	304.780	1.884	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)NC(=O)c2cccs2)o1	84285221	LEFRLJUOQUSCOE-VIFPVBQESA-N	321.358	1.229	50	20	DDGD	
Cc1ccnc(NNC(=O)COc2ccccc2[N+](=O)[O-])c1	88423161	NXYGIEQELQECSX-UHFFFAOYSA-N	302.290	1.820	50	20	DDGD	
CS[C@H]1CCC[C@@H](NS(=O)(=O)CBr)C1	227979382	VHPQYYVEMRUGGD-SFYZADRCSA-N	302.259	1.932	50	20	DDGD	
CC(=O)c1cccc(S(=O)(=O)NNC(=O)c2ccc(C)o2)c1	84461273	JPLSNRHJCNHPEG-UHFFFAOYSA-N	322.342	1.414	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc2sccc2[nH]1	192200127	ICHFFUFIUGAMRU-UHFFFAOYSA-N	314.461	1.701	50	20	DDGD	
CCc1ccccc1CNC(=O)NNC(=O)Cc1ccncc1	83232835	IDFDDXZOHNPEMH-UHFFFAOYSA-N	312.373	1.717	50	20	DDGD	
CCOC(=O)[C@H](C)CNC(=O)/C(C#N)=C\c1ccc(O)cc1	194728557	ZQICZPYVLUNHIH-JYVXZMADSA-N	302.330	1.615	50	20	DDGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cn(C)c(=O)n(C)c2=O)s1	255414526	NZWBEQJIYQYADC-POHAHGRESA-N	315.354	1.244	50	20	DDGD	
COc1cc(C)nc(NNC(=O)/C=C\c2cnc(C)s2)n1	255902120	AGTOPCAQOZTDCE-PLNGDYQASA-N	305.363	1.715	50	20	DDGD	
CCCN(CCC)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	267911093	OJFYZQSRKAHSSH-UHFFFAOYSA-N	322.365	1.478	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCCCC(F)(F)F)cc1	266609467	VVPMZIVLEKEPCK-UHFFFAOYSA-N	314.267	1.845	50	20	DDGD	
O=C(NCc1ccc(N2CCCC2)nc1)NNC(=O)C1CCC1	264751877	RGAKPQVQVVADQT-UHFFFAOYSA-N	317.393	1.312	50	20	DDGD	
CC(C)CONC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	269652597	AATYGRPWBQPBEV-SNVBAGLBSA-N	313.329	1.511	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCOc1ccc2c(c1)OCO2	269483941	PTJPQXXZEGFVNN-PKNBQFBNSA-N	304.302	1.354	50	20	DDGD	
N#CC1=CCN(C(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)CC1	271091936	IFVURVGSKRLTLM-KRWDZBQOSA-N	323.396	1.902	50	20	DDGD	
CCCc1nc(C(=O)NNc2ccc(C(=O)OC)cn2)co1	273695848	HSHHWCJWFDCSFU-UHFFFAOYSA-N	304.306	1.566	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(Br)cs1	272669018	JYYLGGZMOIMZCY-UHFFFAOYSA-N	306.185	1.817	50	20	DDGD	
O=C(NCCOCC(F)(F)C(F)F)NNc1cccnn1	277895585	UAIYIQZVCWSAOM-UHFFFAOYSA-N	311.239	1.020	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1ccc(OC)c(Cl)c1	275488067	OZYJJCUNULRTKC-UHFFFAOYSA-N	321.786	1.203	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CCO[C@H](C)C2)cc1	271834642	GNXZFTBGFXEQDB-CHWSQXEVSA-N	305.378	1.369	50	20	DDGD	
NC(=O)NC1(C(=O)NNc2ccccc2OC(F)(F)F)CC1	275146050	QLQWLUGITVQWGH-UHFFFAOYSA-N	318.255	1.229	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccn(C(C)C)n2)nc1	270415718	ZGLJMKJCJFTVLM-UHFFFAOYSA-N	303.322	1.403	50	20	DDGD	
C[C@H]1CCCN(C(=O)C(=O)NNc2cccc3cnccc23)C1	278467860	SWCLCRSEHIGZEB-LBPRGKRZSA-N	312.373	1.936	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)C1Cc2ccccc2C1)C1CC1	277577056	BOOIIXOMEAVYTQ-JTQLQIEISA-N	303.431	1.695	50	20	DDGD	
O=C(CN1CC[C@@H](C2CC2)C1)NNC(=O)c1ccccc1Cl	371337413	UWMKYWODXFHNJP-GFCCVEGCSA-N	321.808	1.833	50	20	DDGD	
O=C([C@@H]1CCN(CCI)C1)N1CCCC1	376534337	VQBUCJCGIAUAKO-SNVBAGLBSA-N	322.190	1.366	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)c1	282798302	WXTLJSTUGGTXOU-DVOMOZLQSA-N	320.389	1.643	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H](Br)C(C)(C)C	280872165	BTJOVFXONZWVKB-ZETCQYMHSA-N	308.245	1.477	50	20	DDGD	
CSSCCNC(=O)NCc1ccc(C)n(C)c1=O	285637633	ZDUDMSPXMWXVRY-UHFFFAOYSA-N	301.437	1.504	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)COCc1ccnn1C	288658419	LWEKLWMZWKPNEP-UHFFFAOYSA-N	319.321	1.297	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)CCc1ncc[nH]1	287383275	UUHSTCSKPOWYIP-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1	298463783	ZJCBZFJDAWIENF-UHFFFAOYSA-N	314.389	1.931	50	20	DDGD	
O=C(NNC(=O)c1c[nH]nc1-c1ccccn1)c1ccccc1O	809984416	IYOUBNXIPIZLSE-UHFFFAOYSA-N	323.312	1.252	50	20	DDGD	
Cc1cccc(CCCNC(=O)NNC(=O)CC(F)(F)F)n1	807429676	VZBFXCMLICZYJF-UHFFFAOYSA-N	318.299	1.605	50	20	DDGD	
O=C(COCc1cccnc1)NNC(=S)Nc1ccccn1	805191448	FQGAWMQNAUWHTR-UHFFFAOYSA-N	317.374	1.011	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ncn(C(C)(C)C)n2)c1	291966586	SBFIUCNGAWIMEB-UHFFFAOYSA-N	317.349	1.577	50	20	DDGD	
O=C(NC[C@H]1CCCO1)NNc1cc(C(F)(F)F)ccn1	298544769	XBKUHRCFBUTRAN-SECBINFHSA-N	304.272	1.906	50	20	DDGD	
C[C@@H]1OCC[C@@H]1NC(=O)NNC(=O)Nc1cccc(Cl)c1	296351681	CYNLJUULUVWOST-KWQFWETISA-N	312.757	1.853	50	20	DDGD	
CC(C)Oc1cccc(NC(=O)NNC(=O)[C@@H]2CCCO2)c1	297286861	GNAPHGNZJKOUAM-ZDUSSCGKSA-N	307.350	1.806	50	20	DDGD	
O=C(CC1(O)CCCC1)NNC(=O)Nc1ccc2c(c1)OCO2	802104202	WZOXUFRAENDVRV-UHFFFAOYSA-N	321.333	1.263	50	20	DDGD	
N#CC1(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)CCCC1	802106799	WFLOCTDRLFOZNA-UHFFFAOYSA-N	316.317	1.652	50	20	DDGD	
Cc1cc(C(F)(F)F)nn1CC(=O)NNc1ncccc1F	290984366	ULMCIVLZHLXYFN-UHFFFAOYSA-N	317.246	1.888	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)NCCSc2ccccc2)O1	297943992	VQEPPLVZTPTMJL-AAEUAGOBSA-N	323.418	1.677	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H](O)c2ccc(Cl)cc2)O1	293812846	DQASLDOHSFIWLX-KPXOXKRLSA-N	312.753	1.088	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc(C(F)(F)F)[nH]1	807971985	KDGYDCQEJJNWSO-UHFFFAOYSA-N	318.299	1.788	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)Nc1ccc(OC)cc1	802055212	WRPCPTQKLFNDJP-UHFFFAOYSA-N	304.306	1.712	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2CCCCCC(=O)C2)n1	813470021	SXQVSTSULSHWLQ-NSHDSACASA-N	306.366	1.776	50	20	DDGD	
Cc1nccc(CCC(=O)NNc2ncnc3ccsc23)n1	815827914	UHFWZYLFXQFHCD-UHFFFAOYSA-N	314.374	1.866	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)C[C@@](C)(O)C2CC2)c1	819557119	LRJQSYOTPMBQFJ-MRXNPFEDSA-N	320.393	1.774	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	812539605	GVHCRAWBBSTBLP-VXGBXAGGSA-N	322.409	1.824	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cnn(-c2ccc(Cl)cc2)n1	819109770	IOXHIPDRZDXNNY-UHFFFAOYSA-N	319.752	1.482	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)Nc1cc(F)cc(F)c1)C1CCC1	813574198	YXDPNICBOUFEBW-CQSZACIVSA-N	313.304	1.669	50	20	DDGD	
O=C(NNc1ncncc1F)Nc1cccc2c1OCCO2	814620020	ZHTWBLKJDSBHTI-UHFFFAOYSA-N	305.269	1.536	50	20	DDGD	
CCC1(CC)C(=O)NCCC1=NNC(=O)CNc1ccccc1	819801165	BPXNHMNULDMUEM-UHFFFAOYSA-N	316.405	1.897	50	20	DDGD	
COCCOc1ccc(CNS(=O)(=O)CCCCl)cc1	726868227	PAGWAQOUEBQBFB-UHFFFAOYSA-N	321.826	1.760	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCCO[C@H](CN)C1	818012536	NXRPMMHVQHRQCD-NXEZZACHSA-N	307.232	1.372	50	20	DDGD	
C[C@](O)(C(=O)NNc1nc(-c2ccncc2)no1)C1CCC1	813433948	FQASDSAOIAHITJ-CQSZACIVSA-N	303.322	1.126	50	20	DDGD	
CCOC(=O)NNC(=O)c1csc(-c2ccc(O)cc2)n1	726381786	GYJZOPQKWRLJAH-UHFFFAOYSA-N	307.331	1.907	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)Cn2ccc3ccccc32)cn1	729452162	UDXUAFUTKKXKKD-UHFFFAOYSA-N	318.336	1.479	50	20	DDGD	
CC[C@@H](CN1CCCC1)NC(=O)/C(C#N)=C\c1cnn(C)c1	825988289	WKUSSAJIHHFXGF-OWTLUSIOSA-N	301.394	1.318	50	20	DDGD	
CN(C)CCCCC(=O)NNC(=O)c1ccc2ccccc2n1	729281855	FWDWXERIQRHSHB-UHFFFAOYSA-N	314.389	1.728	50	20	DDGD	
CO[C@H](C)CC(=O)NNC(=S)NCCc1cccs1	820168762	IBUKYMDSAHVDOV-SECBINFHSA-N	301.437	1.211	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C	823897499	DUSHIHSPXJFLEY-NSHDSACASA-N	302.415	1.336	50	20	DDGD	
CC[C@H](C)C(=O)NN=C(C)c1ccc(-c2nn[nH]n2)c(F)c1	825052817	ZDGBRBLKYILQFN-QMMMGPOBSA-N	304.329	1.892	50	20	DDGD	
CCN(CCO)NC(=O)CCCOc1ccc(C#N)cc1OC	823846228	GCRMHUVJYXJWRV-UHFFFAOYSA-N	321.377	1.071	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc3c(c2)C[C@@H](C)O3)n1	821481487	PCXJWPZUGPGAPW-SECBINFHSA-N	300.318	1.566	50	20	DDGD	
Cc1cccc2oc(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)cc12	823475604	QJUDAQNMNKTFPT-MNOVXSKESA-N	302.330	1.927	50	20	DDGD	
O=C(NNc1ccccc1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1	826449117	CDHAPEPFSJALSR-ZDUSSCGKSA-N	310.317	1.043	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(-c2ccccc2)nc1O	823847276	UUPXPBVZMMMVEG-UHFFFAOYSA-N	301.346	1.413	50	20	DDGD	
CC[C@H](CC(C)C)C(=O)NNC(=O)CNC(=O)c1cccnc1	826993115	BNSCJRDGWGKBKQ-GFCCVEGCSA-N	320.393	1.031	50	20	DDGD	
CC(C)[C@H](CC(F)(F)F)NC(=O)c1cc(B(O)O)ccc1F	584978646	CMUDQFBJCZLXMH-NSHDSACASA-N	321.079	1.212	50	20	DDGD	
CC(=O)c1cccc(OCCCC(=O)N2CC[C@@H](B(O)O)C2)c1	585078467	ZPNDZBYZUUQFJV-CQSZACIVSA-N	319.166	1.124	50	20	DDGD	
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)C(C)(C)C	495468045	OKXVJXFCLAXLIC-SECBINFHSA-N	301.387	1.483	50	20	DDGD	
CSSCCNC(=O)NCCCCS(C)(=O)=O	823585381	NQHFQLIMNDYTBG-UHFFFAOYSA-N	300.471	1.122	50	20	DDGD	
C#CCO[C@@H](C)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	822219264	YGTLZFXGRQCMFT-NSHDSACASA-N	320.414	1.816	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1cc(F)ncc1F	495842199	UBVHAYVHAXNWSN-UHFFFAOYSA-N	314.292	1.335	50	20	DDGD	
CCCN1CCC[C@H](C(=O)NNC(=O)c2ccccc2F)C1	905089891	OWQAONBLUGOCOX-LBPRGKRZSA-N	307.369	1.709	50	20	DDGD	
C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NCB(O)O	585061387	WVEKBXHJYLTUQI-LURJTMIESA-N	307.995	1.602	50	20	DDGD	
CC(C)Oc1ccc([C@H](C)NCc2ccc(B(O)O)o2)cc1	585021337	IURWLIMPRFKHRO-LBPRGKRZSA-N	303.167	1.597	50	20	DDGD	
CN(C)CC1(C(=O)NNc2ccnc(Br)c2)CC1	822026556	ZISYHLSXZBSWTH-UHFFFAOYSA-N	313.199	1.629	50	20	DDGD	
CC(C)N(CC(=O)NNC(=O)C1CC1)Cc1ccccc1F	733194587	BUTANLPRNVYYNZ-UHFFFAOYSA-N	307.369	1.594	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C\c1ccc(O[C@H](C)C(=O)O)cc1	490945111	ZXKXAJQXTOQSSW-NASPGAHYSA-N	300.314	1.748	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C\c1cccc(S(C)(=O)=O)c1	490979872	ZCBNDNGVBWVDGA-QPEQYQDCSA-N	306.387	1.769	50	20	DDGD	
CO[C@@H]1COCC[C@@H]1CNC(=O)/C(C#N)=C\c1ccc(F)cc1	491101870	GKZFKMAXSJLTNL-HMPIOBDVSA-N	318.348	1.900	50	20	DDGD	
CC(C)CC[C@H]1CCCN1C(=O)c1cc(B(O)O)ccc1F	584962458	GMOOEGGHCBXLKI-CYBMUJFWSA-N	307.174	1.546	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1c(C)nc2scc(C)n12	735411376	BNBPOKYQBVBHRB-UHFFFAOYSA-N	302.363	1.808	50	20	DDGD	
COC(=O)[C@@H](C)N(C(=O)/C(C#N)=C\c1cnn(C)c1)C1CCC1	490973683	LWVYMOIHVYNDHN-NUBYWOLOSA-N	316.361	1.270	50	20	DDGD	
C/C=C/C=C\C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	490919016	GUWBLFUSSXKUDU-DEQVHDEQSA-N	301.346	1.522	50	20	DDGD	
OB(O)c1ccccc1CN[C@H]1CCO[C@@H](c2ccccc2)C1	585037356	ZVJSBHAVTAKUOH-FUHWJXTLSA-N	311.190	1.376	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc([S@](C)=O)c(F)c1	494364685	OHRYRDJZPWINPX-FQEVSTJZSA-N	303.315	1.346	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2CCc3ccccc3O2)n1	839695269	DEZJYRZKIZHPJK-ZDUSSCGKSA-N	314.345	1.631	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1ccc2c(c1)CCO2	496713817	SEVIUJCSGLMGHH-UHFFFAOYSA-N	319.361	1.596	50	20	DDGD	
O=C(/C=C/c1ccc(OC(F)F)cc1)N1CC[C@@H](B(O)O)C1	585074891	OUZYIVHFQZCRSY-ZXCPCRMDSA-N	311.093	1.377	50	20	DDGD	
COC[C@@](C)(NC(=O)[C@@H](Br)C(C)(C)C)C(=O)O	909363007	PUVVOWGPINMBCM-RDDDGLTNSA-N	310.188	1.402	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)N[C@H](C)C[C@@H](C)N)cc1	831197167	JPXNQGANAIBTEZ-VXGBXAGGSA-N	324.450	1.543	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCCCN(C(=O)C1CCC1)C1CC1	731364682	XLBPTTNTXNWZKO-UHFFFAOYSA-N	324.425	1.154	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncc(F)cc1F)[C@H]1CCCOC1	838549514	ZZZQIFIMKUMQTR-BDAKNGLRSA-N	300.309	1.801	50	20	DDGD	
Cc1oc(C)c(C(=O)NNC(=O)COc2ccccc2O)c1C	730780102	OTPBRUXFAJEPLU-UHFFFAOYSA-N	318.329	1.750	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)Cn2cnc3ccccc32)n1	834925911	SFYDVCHBWUEOPN-UHFFFAOYSA-N	311.349	1.106	50	20	DDGD	
O=C(/C=C/c1nc2ccccc2s1)N1CC[C@@H](B(O)O)C1	585070350	VZPPBYPRRVLRKQ-BRAIEQGRSA-N	302.164	1.385	50	20	DDGD	
COC1(CNC(=O)NNC(=O)N=c2cc[nH]cc2)CCCCC1	836431072	YQHYWUHCGPTYEM-UHFFFAOYSA-N	321.381	1.189	50	20	DDGD	
N#Cc1ccc(C(=O)NN[C@@H](C(=O)O)c2cccc(C#N)c2)cc1	833072307	RKDDZMHTYBUUPA-OAHLLOKOSA-N	320.308	1.490	50	20	DDGD	
COc1ccc(C=NNC(=O)CC(F)(F)F)c(O)c1OC	901170369	LTWWIYZRBHGMFU-UHFFFAOYSA-N	306.240	1.812	50	20	DDGD	
CC(C)n1cnnc1CN(C)C(=O)[C@]1(C)C[C@H]1Br	908368274	LVFMXXIWXBRYGC-BXKDBHETSA-N	315.215	1.991	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(O)nc2ccc(F)cc12	737816490	MAFFVWDYCSMCFV-UHFFFAOYSA-N	320.324	1.824	50	20	DDGD	
C[C@]1(C(=O)NCc2nnc3n2CCCC3)C[C@@H]1Br	906238465	DYGBHBRKXHANPV-UFBFGSQYSA-N	313.199	1.404	50	20	DDGD	
C[C@]1(C(=O)OCC(=O)NNC(=O)c2ccccc2)CC=CCC1	838178586	MTLPBWMWBNBILG-KRWDZBQOSA-N	316.357	1.737	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCOC[C@H]2CCOC2)cc1	838416183	MBIAVYBDPGBIKW-ZDUSSCGKSA-N	323.393	1.765	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H](C)N2CCN(C)CC2)c(Cl)c1	836936434	KSKJVOBXSJEYCM-GFCCVEGCSA-N	310.829	1.727	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCOc3ccccc32)c(F)c1	585016530	PKJJNUJYGSOWCU-HNNXBMFYSA-N	301.126	1.119	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1nc(C)sc1Br	839718680	VZAPUKKXKCSSTM-UHFFFAOYSA-N	321.200	1.520	50	20	DDGD	
CCn1cc([C@@H](C)NC(=O)NNc2ncncc2Cl)cn1	836645789	WQQUYLLUZXDMIR-MRVPVSSYSA-N	309.761	1.734	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1ccc(-n2cncn2)c(F)c1	735411620	MIJFZEJFNNQZSR-UHFFFAOYSA-N	313.296	1.202	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)c1cnn(-c2ccccc2)c1	733078633	QFXSTDXJRFMRJS-UHFFFAOYSA-N	320.374	1.023	50	20	DDGD	
CO[C@@H]1C[C@@H](NC(=O)NNc2ccc(Cl)nn2)C12CCC2	838767451	OCMHCSADUQWXBB-RKDXNWHRSA-N	311.773	1.714	50	20	DDGD	
CC(C)=CCOc1cccc(CC(=O)NN(C)C[C@@H](C)O)c1	910147950	WSCFNSMMYNGXEO-CQSZACIVSA-N	306.406	1.918	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2cc(Cl)ccc2[N+](=O)[O-])C1=O	833773788	DUYSUSSRPFBIIN-QMMMGPOBSA-N	312.713	1.170	50	20	DDGD	
CC1(C)C[C@@H](NC(=O)NNC(=O)[C@@H]2CCCCO2)C(C)(C)O1	836392610	JVHLIOJANQYVFS-WDEREUQCSA-N	313.398	1.232	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1ccc(C)c([N+](=O)[O-])c1	745602749	NVDOSXMJWYDGDS-UHFFFAOYSA-N	306.322	1.669	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2oc(C(C)C)nc2C#N)CC1	746185684	WPGQUPQZTGHRAV-UHFFFAOYSA-N	306.322	1.456	50	20	DDGD	
O=C(NNc1ccccc1F)[C@@H]1CCCN1c1ncccn1	748050156	IDBMJHLQDBYUAZ-ZDUSSCGKSA-N	301.325	1.728	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1)c1ccccn1	916371696	LHXGWZAUCYDZNW-RDBSUJKOSA-N	318.421	1.667	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)N[C@H](C)CN)c1	841970862	HIDBVPRSETXJJB-SSDOTTSWSA-N	315.761	1.032	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCCCNC2CC2)c(F)c1	841918614	QLZWTMPQIYNDAK-UHFFFAOYSA-N	324.356	1.381	50	20	DDGD	
COCCOCC(C)=NNC(=O)C(=O)Nc1ccc(C)c(C)c1	741163603	NHVWGIKOQRVRQX-UHFFFAOYSA-N	321.377	1.397	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)c2ccc(Cl)cc2O)cn1	918362211	NVGSSWFIQVFIPG-UHFFFAOYSA-N	319.748	1.753	50	20	DDGD	
CCCNCCNC(=O)NNC(=O)CCCc1ccccc1	841961068	JNUPJOQIRNFNID-UHFFFAOYSA-N	306.410	1.339	50	20	DDGD	
O=C(NNC(=O)[C@H]1SCCc2sccc21)c1ccccn1	742463284	PVIJWZRSSHEBAF-LBPRGKRZSA-N	319.411	1.935	50	20	DDGD	
C[C@@H](O)c1ccc(CNC(=O)NNC(=O)CC(F)(F)F)cc1	749348442	NYCZSWIMQOIXSG-MRVPVSSYSA-N	319.283	1.523	50	20	DDGD	
NC[C@@H]1CC[C@@H](NC(=O)NNC(=O)c2ccc(Cl)cc2)C1	842010045	IKTGEVXGNDFMBI-BXKDBHETSA-N	310.785	1.411	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1ccc(Cl)cc1	916362801	OVGXHOZZWCDNEZ-LBPRGKRZSA-N	309.797	1.758	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)c1ccc[nH]1)CC(F)(F)F	840433931	WBYMPCCVBSRVNB-MRVPVSSYSA-N	306.288	1.937	50	20	DDGD	
O=C(NCC[C@@H]1CCNC1)NNc1ncnc2ccsc12	841938940	RIWZAHSIRMCWHB-VIFPVBQESA-N	306.395	1.317	50	20	DDGD	
CCN1CCC(=NNC(=O)COc2ccccc2OC)[C@H](C)C1	741456809	IXMFIMJTFDDPMC-CYBMUJFWSA-N	319.405	1.908	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	843649438	VHSDQWGDAYJPOJ-YRGRVCCFSA-N	306.362	1.335	50	20	DDGD	
COCC(CC(C)(C)C)=NNC(=O)C(=O)Nc1ccccn1	844588053	ZGRCKIJANZJRSM-UHFFFAOYSA-N	306.366	1.575	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)/C=C/c1ccc(Cl)nc1	843658661	FJWDJSXJERBRIY-DLSFUBIUSA-N	309.753	1.321	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)/C(C#N)=C\c1ccc(F)cc1	843974041	MQQLCVFEVNCYRO-OKBXIPFOSA-N	317.320	1.305	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCCn2cccn2)c(O)c1	748838831	OEJDCQLZHOQPJL-UHFFFAOYSA-N	302.334	1.139	50	20	DDGD	
CC[C@H](C(=O)NNc1ncc(Br)cn1)[C@H](C)O	848392114	UMDZXWNPFWBXBO-XPUUQOCRSA-N	303.160	1.089	50	20	DDGD	
CC(C)CC(CC(C)C)C(=O)NNC(=O)CN1CCCC1=O	913733506	LGBVUOLLIOIIEM-UHFFFAOYSA-N	311.426	1.465	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@H]1CC[C@H](CN)C1)c1ccccc1	842010221	HVWCJQZASNNIGN-QEJZJMRPSA-N	318.421	1.638	50	20	DDGD	
CCc1ccc(OCC(=O)NNC(=O)N=c2cc[nH]cc2)cc1	919896942	QBZQPCNMFJBSKT-UHFFFAOYSA-N	314.345	1.298	50	20	DDGD	
CCNC(=O)NNC(=O)c1c(F)cccc1Br	749356678	HGTIEBKZBOTMIV-UHFFFAOYSA-N	304.119	1.552	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cnn(-c2ccccc2)c1C(F)F	910138794	LXOZRXJCIBNJHE-JTQLQIEISA-N	324.331	1.767	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1ccc(F)cc1	916363845	ZMRVDNBBHACZFH-GFCCVEGCSA-N	307.369	1.634	50	20	DDGD	
C[C@@H](CCCN)NC(=O)NNC(=O)Cn1ccc2ccccc21	841999109	AODYNUYJHZDUQA-LBPRGKRZSA-N	317.393	1.099	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)Cn2cccn2)cc1	842471390	UMPOVXHOFNEOTQ-UHFFFAOYSA-N	304.375	1.131	50	20	DDGD	
Cc1ccc(OCC(=O)NN=C2C[C@@H](C)n3ncnc32)cc1C	841606744	KZJYWSCYGVSGIK-GFCCVEGCSA-N	313.361	1.759	50	20	DDGD	
O=C(NNc1ccccc1C(F)(F)F)[C@H]1CCCS1(=O)=O	846764913	ZASVHWBKUGBBAO-SNVBAGLBSA-N	322.308	1.726	50	20	DDGD	
COc1ccc(OCC(=O)NNc2ncccc2[N+](=O)[O-])cc1	920957440	AYGBNDROLFJPJA-UHFFFAOYSA-N	318.289	1.521	50	20	DDGD	
C[C@@]1(c2ccccc2)C[C@H]1NC(=O)NNC(=O)Cc1ccncc1	747508360	GXBFXHHUNPDZBW-QAPCUYQASA-N	324.384	1.685	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccc(C#N)cn1)N1CCO[C@H](CC)C1	924815757	RAFNKLLITSRDKF-KGLIPLIRSA-N	317.393	1.286	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccccc1-n1cccn1	843642699	GIIWDFPDRLSXBC-NEPJUHHUSA-N	314.345	1.058	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1c(F)ccc2ccncc12	854683537	QJNDRHOJWHQICC-ZDUSSCGKSA-N	317.320	1.704	50	20	DDGD	
O=C(NNC(=O)c1ccnn1C(F)F)NC1CCCCC1	854191918	CWWPWHRVFRIBDJ-UHFFFAOYSA-N	301.297	1.555	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2ncc(Cl)cn2)CN1C1CC1	856877368	QPINKKFHHMHJCG-PSASIEDQSA-N	310.789	1.381	50	20	DDGD	
CC[C@H]1C[C@@H](CC(=O)NNC(=O)c2cccc(F)n2)CCO1	856423331	RRENXUNICOKRON-QWRGUYRKSA-N	309.341	1.577	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)c1ccc(C)o1)C1CCCC1	852658476	YIWDHDAKNBVFGF-CYBMUJFWSA-N	309.366	1.737	50	20	DDGD	
CCN1CC[C@H](NC(=O)NNc2cc(F)cc(Cl)c2)C1=O	854048948	SCRYBRNYYCGFNI-NSHDSACASA-N	314.748	1.726	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H]1CN(C)Cc2ccccc21	757731000	FWKBXYVEFIIVCP-AWEZNQCLSA-N	304.394	1.550	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2cnccc2Cl)n1	857459088	DEXZSNZKQNDREH-UHFFFAOYSA-N	307.741	1.528	50	20	DDGD	
CNC(=O)NN=C1CC2(CCN(C)CC2)Oc2ccccc21	755663737	DTXPYTUKYSVGPJ-UHFFFAOYSA-N	302.378	1.567	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)c1cccc2ncccc12)C1CC1	859259768	QFUABRARJBOBPS-HNNXBMFYSA-N	313.357	1.811	50	20	DDGD	
CC(C)[C@H](NC=O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	858132270	YCTHRXUMMXOQFN-ZZTKBFGJSA-N	321.421	1.121	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C#CC(C)C)cc1	854221037	FDQXXBIOXRGDIA-ZDUSSCGKSA-N	318.373	1.659	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CC[C@@H]2C[C@H]2C1	852636383	SULQPKHKYMFCBA-CABCVRRESA-N	301.390	1.027	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NC[C@@]1(C)C[C@@H]1Br	857400704	CDRRCFBTWXPOOS-JOYOIKCWSA-N	300.200	1.940	50	20	DDGD	
CCCn1nc(C)c(C(=O)NNC(=O)CC(F)(F)F)c1C	855001263	XPQJOFAINUKFMC-UHFFFAOYSA-N	306.288	1.623	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NNC(=O)NCCc1cccs1	858089517	VQFCHOTUVPWLAD-GFCCVEGCSA-N	324.450	1.494	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(N2CCOCC2)c(F)c1	756336602	XJZBXTOGKDRNJR-UHFFFAOYSA-N	310.329	1.225	50	20	DDGD	
CCn1nccc1[C@@H]1OCCC[C@H]1C=NNC(=O)c1cc[nH]n1	853391554	RGIRNKLYVAQMJP-SMDDNHRTSA-N	316.365	1.510	50	20	DDGD	
Cc1ncc2n1C[C@@H](C(=O)NNC(=S)N[C@@H](C)C1CC1)CC2	855097457	QOWMOVMJOSLWKP-CABZTGNLSA-N	321.450	1.048	50	20	DDGD	
O=C(NC[C@@H]1CCCC1(F)F)NNC(=O)c1cccc(F)n1	852369095	SZOBHMUFKZAKFV-QMMMGPOBSA-N	316.283	1.600	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(C)C[C@H]2CC2(C)C)c1	852771510	FTIRVDRBAPKTMV-CQSZACIVSA-N	303.406	1.734	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(OCC(F)(F)F)cc1	755580256	MLJHOPITOMYQJV-UHFFFAOYSA-N	321.255	1.427	50	20	DDGD	
CN(C)C(=O)NN=Cc1cc(O)cc(Br)c1O	755671331	CLBTUEQBVCPPJI-UHFFFAOYSA-N	302.128	1.465	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2ccccc2OC(C)C)n[nH]1	869012404	PNHAZOPFRHMMJI-UHFFFAOYSA-N	316.361	1.509	50	20	DDGD	
O=C1OCCN1NC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	862701919	PPEVPAZUHAJZIT-VAOFZXAKSA-N	303.156	1.424	50	20	DDGD	
C[C@@](O)(Cc1ccccc1)C(=O)NN=c1cc[nH]cc1Cl	768444834	XKWUQNQNTVQKQL-OAHLLOKOSA-N	305.765	1.594	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)c1ccnc(O)c1	764046912	PEIJGLGUGDNATA-UHFFFAOYSA-N	319.342	1.046	50	20	DDGD	
COc1ccnc(NNC(=O)C[C@H](c2ccccc2)N(C)C)n1	764217468	NJNWQTUMTFOYTI-CYBMUJFWSA-N	315.377	1.621	50	20	DDGD	
COC[C@](C)(NC(=O)NN=c1cc[nH]c(C)c1)C(F)(F)F	932320835	PHBGDCRDHMQBIG-NSHDSACASA-N	306.288	1.405	50	20	DDGD	
C[C@H](NC(=O)[C@@H](Br)C(C)(C)C)[C@@H]1CN(C)CCO1	768296794	GBZLCJOALHMERK-GARJFASQSA-N	321.259	1.631	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=O)C2CCC2)cc1Cl	932516546	ISSUPYONMAPNPV-UHFFFAOYSA-N	309.753	1.860	50	20	DDGD	
COCC(=O)NN=C1C(=O)N(CCC(C)C)c2ccccc21	761819664	YSRSWMYDVLNUCH-UHFFFAOYSA-N	303.362	1.546	50	20	DDGD	
CN(NC(=O)[C@@H]1COc2ccc(O)cc2O1)C(=O)OC(C)(C)C	868857552	SXUZYMRXPWKBJI-LBPRGKRZSA-N	324.333	1.430	50	20	DDGD	
CS(=O)(=O)c1ccc(NNC(=O)c2cnn(C3CC3)c2)cc1	860314910	HPYKFTXXLTWPIG-UHFFFAOYSA-N	320.374	1.378	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cccc2cc(O)ccc12	868619303	KBAUSTDWWLULQG-OAHLLOKOSA-N	314.341	1.876	50	20	DDGD	
COc1ccc(F)cc1NC(=O)C(=O)NNC(=O)C1CCCC1	764066544	OXOHMIWSFOZWLA-UHFFFAOYSA-N	323.324	1.110	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)/C=C/[C@@H]1CCOC1	862289065	LQCLBLOWGOHWPU-HSBSLETESA-N	304.346	1.879	50	20	DDGD	
COc1cccc([C@H](C)CC(=O)NNC(=O)c2cn[nH]c2)c1	862472992	ZLSKMQDFRQZZCT-SNVBAGLBSA-N	302.334	1.373	50	20	DDGD	
CCCCOc1ccccc1C=NNC(=O)CN1CCCC1=O	767367550	LKVGFDUXEPAPHN-UHFFFAOYSA-N	317.389	1.938	50	20	DDGD	
CC(C)(Oc1ccc(C#N)cc1)C(=O)NNC(=O)c1ccccn1	764430000	NUNYHGOAHCJGFH-UHFFFAOYSA-N	324.340	1.572	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCCCC(F)F)c1	1119688142	WJMNXZTVESYNCJ-UHFFFAOYSA-N	315.320	1.750	50	20	DDGD	
CC(=NNC(=O)C1CCOCC1)c1cccc(-n2ccnn2)c1	1119362294	ZSEDUYBMCPLRPH-UHFFFAOYSA-N	313.361	1.534	50	20	DDGD	
CC(C)O[C@H]1CC(=NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1(C)C	764905260	KCNJTROOZQTBQM-PWSUYJOCSA-N	316.423	1.117	50	20	DDGD	
C[C@H](OC[C@@H]1CCCCO1)C(=O)NNc1nc2ccccc2[nH]1	768505800	WYNYIDOPRQUBFZ-RYUDHWBXSA-N	318.377	1.980	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCc2nc(C)cs2)nc1	768119754	GCNPCLFAPYASBP-UHFFFAOYSA-N	320.374	1.709	50	20	DDGD	
COCCOCC(=O)NN=C1CCCOc2cc(F)ccc21	872401383	SCHDERBWBWPBHH-UHFFFAOYSA-N	310.325	1.482	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)CCC1CCCCC1	872373830	KYEDXSYNEJTTIA-YPMHNXCESA-N	318.439	1.332	50	20	DDGD	
CCCCCCN(C)CC(=O)NNC(=S)Nc1ccccn1	874956721	MMNZZTHXQAAPRY-UHFFFAOYSA-N	323.466	1.911	50	20	DDGD	
CCCOc1cc(C=NNC(=O)NCC(=O)OC)ccc1OC	779823197	NZIZXQLWGQPVEY-UHFFFAOYSA-N	323.349	1.290	50	20	DDGD	
Cc1ccccc1C(F)(F)C(=O)NNC(=O)C1CCOCC1	1119665235	OUKYOPIOQMOGTE-UHFFFAOYSA-N	312.316	1.661	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1cccc(SC)c1	877908478	PYDWQBZOEZJCBE-UHFFFAOYSA-N	313.379	1.224	50	20	DDGD	
O=C(C[C@H]1CCS(=O)(=O)C1)NNc1cccnc1Cl	1116233741	BVYSGALDDCILNY-MRVPVSSYSA-N	303.771	1.003	50	20	DDGD	
CSc1nsc(NC(=O)NNc2ncc(F)cn2)n1	775666576	GDNILXAUAWLONR-UHFFFAOYSA-N	301.332	1.338	50	20	DDGD	
CC(C)NC(=S)NNC(=O)COc1ccc(F)c(F)c1	1119666880	IWTPCAGIIVXKAP-UHFFFAOYSA-N	303.334	1.247	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)[C@@H]1[C@H]2CCCO[C@H]21	771541795	VFPIBRUIUIJEKL-FBIMIBRVSA-N	312.167	1.712	50	20	DDGD	
O=C(NCC1CCOCC1)NNC(=O)c1ccccc1Cl	1115929886	UTTKRYCQDPYNEY-UHFFFAOYSA-N	311.769	1.711	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@](C)(O)C(C)C)cc1OC	770220692	RXMGEGWOCHOOBK-INIZCTEOSA-N	324.377	1.262	50	20	DDGD	
CCc1ccc(C(=O)NN=Cc2cccn2CC(=O)OC)cc1	776179091	KXSHJDWGLPSKJV-UHFFFAOYSA-N	313.357	1.987	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cccc2c1CCCC2	883071029	MSLRIHPGEJEGBO-UHFFFAOYSA-N	302.374	1.753	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2c(C)cccc2OC)n1	772518646	SJEPVJPFZUDGHD-UHFFFAOYSA-N	303.322	1.951	50	20	DDGD	
C=CCOc1cccnc1C(=O)NNc1ncnc2[nH]cnc12	775606742	BNFWXNJOGQKHAB-UHFFFAOYSA-N	311.305	1.070	50	20	DDGD	
Cc1nnc2n1C[C@@H](C(=O)NNc1ccc(F)c(F)c1)CC2	885113111	OXGQOUBIUDQEES-VIFPVBQESA-N	307.304	1.570	50	20	DDGD	
COc1ccccc1[C@H](C)CC(=O)NNC(=O)C1CCOCC1	883062726	OZMFSXLVIGNMDP-GFCCVEGCSA-N	320.389	1.763	50	20	DDGD	
C[C@H]1CCC[C@@H]([C@H](C)NC(=O)NNC(=O)c2cccnn2)C1	883684475	IKGUIGKBTCNSKX-SDDRHHMPSA-N	305.382	1.635	50	20	DDGD	
O=C(NNC(=O)c1cnc(O)c2ccccc12)c1ccccn1	786683848	FJMCIQXVCBFTBB-UHFFFAOYSA-N	308.297	1.410	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(N=c2cc[nH]cc2)cc1	780712065	OGGNIQUYFGMRBP-UHFFFAOYSA-N	313.361	1.553	50	20	DDGD	
CN(C)C[C@H](NS(=O)(=O)CCCCl)c1ccc(F)cc1	882198728	ZNQFSWDWONDORM-ZDUSSCGKSA-N	322.833	1.977	50	20	DDGD	
C#CCOc1cccc(NC(=O)C(=O)NNc2cc(C)ccn2)c1	783931348	TXWJVLYHXJRGOV-UHFFFAOYSA-N	324.340	1.484	50	20	DDGD	
CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NNc1ncncc1Cl	780999287	LEALOFXEQRWAEB-QNSHHTMESA-N	311.773	1.570	50	20	DDGD	
COC(C)(C)C[C@H](C)NC(=O)NNc1ncncc1Cl	781000999	HVIAINXPNMJKOH-QMMMGPOBSA-N	301.778	1.960	50	20	DDGD	
CCCn1cc(C(=O)NNc2ccccc2S(C)(=O)=O)cn1	782016273	ZKMYGWMFGVLFFF-UHFFFAOYSA-N	322.390	1.454	50	20	DDGD	
C[C@@H]1CCN(CCNC(=O)NC[C@]2(C)C[C@@H]2Br)C1	895924145	RLCTYWXIJTWYBR-MDZLAQPJSA-N	318.259	1.801	50	20	DDGD	
Cc1nnc(CNC(=O)NNc2ncnc3ccsc23)s1	780050208	LYZBXKRZDWPEDB-UHFFFAOYSA-N	321.391	1.678	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2cccc(F)n2)c1	780843039	LPVFZSZMZHMETD-UHFFFAOYSA-N	318.308	1.834	50	20	DDGD	
Cn1ncc(C(=O)NNc2ncncc2Cl)c1-n1cccc1	781835566	DPIVQGOYQBJUGZ-UHFFFAOYSA-N	317.740	1.411	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1cccn2c(O)nnc12	780992448	VKVRJFVTAWRDTK-UHFFFAOYSA-N	301.281	1.639	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCc2ccc(C)s2)n1	792808652	HZLDGCJYOFGSRA-UHFFFAOYSA-N	304.375	1.904	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1ccc2nccnc2c1	793079036	KWROQTDBNHUVJU-UHFFFAOYSA-N	322.415	1.696	50	20	DDGD	
C[C@@H](OCc1ccncc1)C(=O)NNC(=S)NC(C)(C)C	899997184	KGTMDJDGABBTFZ-SNVBAGLBSA-N	310.423	1.281	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)C1CC(c2ccc(F)cc2)C1	794255701	UGMRCIQKQRNGAE-UHFFFAOYSA-N	321.352	1.392	50	20	DDGD	
O=C(Cc1cc2ccccc2o1)NNC(=O)NCC(F)(F)F	798315684	ZNTVOPBFTIKYJL-UHFFFAOYSA-N	315.251	1.868	50	20	DDGD	
Cn1cc2c(n1)CCCC2=NNC(=O)Cc1cn2ccccc2n1	794514156	QEQWGUNYONFAHE-UHFFFAOYSA-N	322.372	1.467	50	20	DDGD	
COc1ccccc1C(=O)NN=C1CC(=O)N2CCCC[C@@H]12	799479781	GFSNYXLVUJJHKW-ZDUSSCGKSA-N	301.346	1.566	50	20	DDGD	
O=C(CC1OCCCO1)NNc1ccnc(Br)c1	793834829	OTLRNQPOYREPDS-UHFFFAOYSA-N	316.155	1.440	50	20	DDGD	
C[C@]1(CCC(=O)NNc2cccc(F)c2[N+](=O)[O-])CCC(=O)N1	791071059	WALINMZXIFJVMA-CQSZACIVSA-N	324.312	1.626	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1ccnn1CC(F)F	798311215	JOMBKEQVUUKEMP-UHFFFAOYSA-N	323.303	1.923	50	20	DDGD	
C[C@@H]1CCC[C@@H](CNC(=O)NNC(=O)C(=O)N2CCCC2)[C@@H]1C	797543336	WGQIVESXHIWNTK-UPJWGTAASA-N	324.425	1.012	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1OCC(=O)NNc1nc2ccccn2n1	791258360	UAUICYBZQOHAQM-NEPJUHHUSA-N	303.366	1.768	50	20	DDGD	
Cc1csc(CC(=O)NN=C2CC(=O)N3CCCC[C@@H]23)n1	799473835	AXOQURCBWUPOHQ-NSHDSACASA-N	306.391	1.251	50	20	DDGD	
Cc1ccncc1[C@H](C)NC(=O)NNc1nncc(N)c1Cl	1319743189	GAISEWXIXLRBMU-QMMMGPOBSA-N	321.772	1.803	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)Cc2cccnc2C)cc1	1321913479	XMDWLAWHWSMSTQ-UHFFFAOYSA-N	314.345	1.794	50	20	DDGD	
O=C(CCc1ccc2c(c1)CCO2)NNc1nc2ccccn2n1	1320696058	FHVWPMVKIQSCAS-UHFFFAOYSA-N	323.356	1.740	50	20	DDGD	
CSSCCNC(=O)[C@H]1CC12CCS(=O)(=O)CC2	1321899867	GENVEGVQNDVQFS-SECBINFHSA-N	309.478	1.329	50	20	DDGD	
COC(=O)C(=O)NN=Cc1c(F)cccc1OC(F)(F)F	1323267412	QWIIIRDPKHNJCL-UHFFFAOYSA-N	308.187	1.347	50	20	DDGD	
Nc1cnnc(NNC(=O)NCCc2cscn2)c1Cl	1324088103	OQKJSHXMOAUDIV-UHFFFAOYSA-N	313.774	1.038	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ncnc3ccsc23)o1	1324140947	VPLBDZDLKMACEK-UHFFFAOYSA-N	318.314	1.828	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1	1324471066	FVXYVXYFLNHQNQ-QJPTWQEYSA-N	311.426	1.511	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ncc(Cl)cc1Cl	1335406462	DVQMVVSQSSGZGB-UHFFFAOYSA-N	307.206	1.906	50	20	DDGD	
CCc1oc2ccccc2c1C(=O)NNC(=O)[C@@H]1CCC(=O)N1	1335330003	QHDJMXFMZSTRDY-JTQLQIEISA-N	315.329	1.035	50	20	DDGD	
CSC1(CNC(=O)NNC(=O)c2cccnn2)CCCCC1	1331994164	LUSWUQQTHKLDIZ-UHFFFAOYSA-N	323.422	1.487	50	20	DDGD	
Cc1noc(Cl)c1CC(=O)NNc1nncc(N)c1Cl	1333511014	ZLOIZGTXLGCNGM-UHFFFAOYSA-N	317.136	1.348	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)NC/C=C\Cl)C[C@H]1Br	1341676251	LWKGFDFUTGIQTO-QXABTVJVSA-N	309.591	1.145	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@H](CCN)C2)C[C@@H]1Br	1346513305	MYYJXBRMBYXVMA-JBLDHEPKSA-N	304.232	1.540	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCC[C@@H](C)NC)c1ccccc1	1261376398	OCCMNBJRZFDBTK-OCCSQVGLSA-N	306.410	1.509	50	20	DDGD	
Cn1cc(C(=O)C(=O)NNc2ccc(-c3ccccc3)nn2)cn1	1340156867	PASNBUIXSSLXOQ-UHFFFAOYSA-N	322.328	1.203	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCCC(=O)OC(C)(C)C	1349432128	DZCZJLSHFSWTFE-GHMZBOCLSA-N	314.382	1.071	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)NCCC(F)F	1527991654	CHTCMWPHKZBPCD-UHFFFAOYSA-N	307.322	1.371	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@H](C)[C@@H]1CN(C)CCN1C	1528131522	YDKKEWUAGSSDOX-OCCSQVGLSA-N	323.416	1.395	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H]1CC[C@@H](C(=O)O)C1	1600305031	DOHACQQQKZMIBS-VHSXEESVSA-N	307.306	1.847	50	20	DDGD	
CC[C@@H](C(=O)O)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	1609886932	XDMBNRJZWBUKRC-SNVBAGLBSA-N	324.402	1.889	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H]1CC=C(C(=O)O)C1	1600788404	MIJOJOCXWHNYDF-NSHDSACASA-N	311.769	1.642	50	20	DDGD	
Cc1ccc(C(=O)NN=C2CCN(CCC(=O)O)CC2)cc1F	1600341767	ZVJSBBGRNDKEGM-UHFFFAOYSA-N	321.352	1.790	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNc2ccc(C(=O)O)cn2)nc1	1609712979	NLFXOFAEEUDOLI-UHFFFAOYSA-N	316.317	1.719	50	20	DDGD	
O=C(O)c1cc(NNC(=O)c2cnn3ncccc23)ccc1F	1602287656	SQEUICDKBLZRRI-UHFFFAOYSA-N	315.264	1.324	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)N[C@@H]1CCN2CCC[C@H]2C1	1608483733	YIVZMJUEQMNKLB-OCCSQVGLSA-N	318.377	1.638	50	20	DDGD	
O=C(O)C1CC2(C1)C[C@@H](NS(=O)(=O)CCl)CCS2	1608614842	SDAQFQNGNHQMCD-ZCUBBSJVSA-N	313.828	1.231	50	20	DDGD	
CN(C)[C@H]1CCC[C@@H](C(=O)NNc2ccccc2C(=O)O)C1	1606020770	WCVVHVQPPVFODM-NEPJUHHUSA-N	305.378	1.948	50	20	DDGD	
Cc1oc(-c2nn[nH]n2)cc1C(=O)NNc1ccc(C#N)cc1	1609468394	SDGWUZPNJCTKGL-UHFFFAOYSA-N	309.289	1.397	50	20	DDGD	
O=C(O)Cc1occc1C(=O)NNc1cnc2ccccc2n1	1610798522	LTLYLBMZTRCSPD-UHFFFAOYSA-N	312.285	1.607	50	20	DDGD	
C[C@H]1CCN(S(=O)(=O)c2ccc(CCCl)cc2)[C@@H]1CO	227156999	AWYKIVAOEDNBAQ-SMDDNHRTSA-N	317.838	1.859	50	20	DDGD	
CCn1ccnc1[C@@H](C)NC(=O)NNc1cccc(C(=O)O)c1	1610085899	WAKVWRKBHSRBKC-SNVBAGLBSA-N	317.349	1.989	50	20	DDGD	
CCn1cc([C@H]2OCC[C@H]2C=NNC(=O)c2cccnc2)cn1	1552448577	UTWBEDWTDHHGKU-WFASDCNBSA-N	313.361	1.791	50	20	DDGD	
CCCNNC(=O)Cc1ccccc1S(=O)(=O)C(F)F	1577574826	UHMDEDNIICUQMR-UHFFFAOYSA-N	306.334	1.256	50	20	DDGD	
CC(=O)c1cc(NC(=O)NNC(=O)CCCCCN)ccc1C	1575033667	VVABQLVUTDWBDF-UHFFFAOYSA-N	320.393	1.869	50	20	DDGD	
Cn1c(C(=O)NNc2ccccc2Cl)ccc1-c1nn[nH]n1	1581752300	XBVLRUAPXHBJMF-UHFFFAOYSA-N	317.740	1.616	50	20	DDGD	
C=CCC(F)(F)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1846011380	GKOUOXVSXUFWJX-SECBINFHSA-N	324.730	1.936	50	20	DDGD	
CCO/C=C/C(=O)N1CCCC12CN(C(=O)[C@H](Cl)CC)C2	1846501953	FFFIEMWGCLGNLE-UVMWJGKXSA-N	314.813	1.757	50	20	DDGD	
CC(C)OCCC(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1589746795	HQXDVCOFTSJEDG-UHFFFAOYSA-N	324.772	1.778	50	20	DDGD	
CC(C)(C)OC(=O)C1(C(=O)NNc2ccc(C(=O)O)cn2)CC1	1589852596	WQLJSWBJMQVIEM-UHFFFAOYSA-N	321.333	1.345	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)[C@H]2CCCS2)C1	1846719152	GWJRQHHRIZYOIJ-ZJUUUORDSA-N	320.817	1.620	50	20	DDGD	
O=C(O)[C@H](C(=O)OCCCI)C1CC1	1594836982	BJODPYLDRAXZKP-SSDOTTSWSA-N	312.103	1.466	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccc(C(=O)O)cc1F)c1cnn(C)c1	1592252661	PBTQFGFGMGLQAR-VIFPVBQESA-N	320.324	1.894	50	20	DDGD	
O=C(NNc1nc2cccnc2s1)N[C@H]1C[C@H](C(=O)O)C1	1594782222	SUWJDPPCFHZSTN-LJGSYFOKSA-N	307.335	1.181	50	20	DDGD	
Cc1cnc(F)c(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1	1592295743	NATCZNFKRKUAFO-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2cccc(CCC(=O)O)c2)cn1	1594538444	QKZMSFFJTRXIGL-VGOFMYFVSA-N	324.340	1.983	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CC[C@](C(=O)O)(C(F)(F)F)C1	1596859711	GIXYBJMWCJSKIK-JYKYSHPRSA-N	306.240	1.296	50	20	DDGD	
C[C@@H](Oc1ccccn1)C(=O)NNc1ccccc1C(=O)O	1593655160	BHGSPNIVMXOTMJ-SNVBAGLBSA-N	301.302	1.690	50	20	DDGD	
CC(CCC(=O)O)=NNC(=O)Cc1nc2ccccc2n1C	1592469958	CXTIMSPFDNVYLG-UHFFFAOYSA-N	302.334	1.473	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NN=C(C)c1cc(C(=O)O)ccc1O	1776102516	RPQSQQOGSKRRKN-AAEUAGOBSA-N	306.318	1.356	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cc(C(=O)O)cn2C)cc1	1776020914	FORLLNKQGYPDMU-UHFFFAOYSA-N	301.302	1.496	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1)C1CC1	151119207	HRWKGJNXURPCQR-QMMMGPOBSA-N	304.375	1.945	50	20	DDGD	
CC(C)C[C@@H](C)CC(=O)NNC(=O)C(=O)Nc1ccccn1	152147882	NAQUBMNSGBDMPZ-LLVKDONJSA-N	306.366	1.240	50	20	DDGD	
CN(CC(=O)NN(C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C	497002966	MDAILKRENJVKKQ-UHFFFAOYSA-N	317.386	1.751	50	20	DDGD	
CSc1cc(C(=O)NNC(=O)CNc2ccccc2)ccn1	104829726	OMNUHLQZEHTSKI-UHFFFAOYSA-N	316.386	1.677	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)c1ccc(SC(C)C)cc1	55040989	IGBHDJHRLVOQML-UHFFFAOYSA-N	323.418	1.473	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NCc1ccccn1	9748078	QEUZEVLTBPHBBE-UHFFFAOYSA-N	324.344	1.182	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	25672331	VMUDPEKIIQRIEX-RIYZIHGNSA-N	300.362	1.655	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](c2ccn[nH]2)C1	111204017	QLLSIVNCEIEZHB-OLZOCXBDSA-N	321.425	1.171	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)cn1	106025320	FKXKZUGIXKLUQB-UHFFFAOYSA-N	312.251	1.514	50	20	DDGD	
COCC[C@@H](C)NC(=O)NNC(=O)c1cccc(N(C)C)c1	101611614	CMWSZLPFXSUFEB-LLVKDONJSA-N	308.382	1.122	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccon2)cc1	67285609	VQXRUQNYUZMPFJ-JTQLQIEISA-N	319.317	1.302	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CCc1ccoc1	177056756	OISAFSIKUUZORE-NSHDSACASA-N	320.320	1.966	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1ccccc1F)c1cccnc1	66976295	JJNIYSPIGUVXFI-NSHDSACASA-N	316.336	1.855	50	20	DDGD	
O=C(CCCOCCc1ccccc1)NNc1cnccn1	114878244	ARDWHXORYWDFTR-UHFFFAOYSA-N	300.362	1.959	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1nc(Cl)ccc1Cl	71036814	WUNBIJZIQWVALO-UHFFFAOYSA-N	313.144	1.802	50	20	DDGD	
CN(C)Cc1ccccc1CNS(=O)(=O)CBr	127097273	YMZWXKIZWZUJFD-UHFFFAOYSA-N	321.240	1.520	50	20	DDGD	
CCNC(=O)c1ccc(CNC(=O)NNc2cccnn2)cc1	77347542	PCYHDZPIAOQKPL-UHFFFAOYSA-N	314.349	1.053	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	125837827	BEXLJGPZQLVMQS-SSDOTTSWSA-N	315.713	1.891	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1cnc(S)[nH]1	188254467	BCJNCNKFPVLPNX-UHFFFAOYSA-N	319.375	1.369	50	20	DDGD	
O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C1CC=CC1	76987095	WEZUGXHRRHNHTF-UHFFFAOYSA-N	321.402	1.537	50	20	DDGD	
CCOC(C)(C)CNC(=O)NNc1ccc(-n2cccn2)nn1	187718453	MTJKGFPEYLKGDV-UHFFFAOYSA-N	319.369	1.104	50	20	DDGD	
CC[C@@H](C)[C@@H](C)NC(=O)NNC(=O)COCc1ccccc1	124555139	RGRULNRRBUPKOU-CHWSQXEVSA-N	307.394	1.968	50	20	DDGD	
CCOCCCn1c(NNC(=O)CC)nc2ccccc2c1=O	70889560	LETMZQXHFSUVDR-UHFFFAOYSA-N	318.377	1.676	50	20	DDGD	
Cc1cc(NNC(=O)c2cccc(C(=O)N(C)C)c2)nc(C)n1	128634452	TUWBZOHFBJDAPN-UHFFFAOYSA-N	313.361	1.552	50	20	DDGD	
CC(C)C[C@@H]1COCCN1C(=O)NNC(=O)Cc1cccnc1	73057856	PMAKFTIOTVCCLR-CQSZACIVSA-N	320.393	1.112	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2)C12CCC2	74604549	MEEAMAJYBYGXQU-KGLIPLIRSA-N	317.389	1.978	50	20	DDGD	
C[C@@H]1CCC[C@@H](N(C)CC(=O)NNC(=O)c2ccccc2)C1	182044915	KRXOQWBKGYXIGN-UKRRQHHQSA-N	303.406	1.958	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2Cc3ccccc3C2)cc1	72963654	UIWGHCVPIHKLTM-UHFFFAOYSA-N	309.369	1.772	50	20	DDGD	
COc1nccnc1NNC(=O)C[C@H]1OCCc2ccccc21	132165465	CMGIZVMKBRVRBM-CYBMUJFWSA-N	314.345	1.632	50	20	DDGD	
CN(NC(=O)c1cc(-c2ccncc2)nc2ccccc12)C(N)=O	181061875	MYASWCPUMFWSIM-UHFFFAOYSA-N	321.340	1.952	50	20	DDGD	
COC(=O)C1(N(C)CCI)CCCC1	191000135	JOORZMSFYQQFAB-UHFFFAOYSA-N	311.163	1.839	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ccc(C)cc2)c(C)n1	131578295	ONZCXNHSBCQVNL-UHFFFAOYSA-N	314.345	1.789	50	20	DDGD	
CCOCCNC(=O)NNC(=O)c1ccc(Cl)cc1Cl	193214514	KMIBQYVWWDPPHW-UHFFFAOYSA-N	320.176	1.974	50	20	DDGD	
COC(=O)[C@H]1CCC[C@@H](C(=O)NNc2nc3ccccn3n2)C1	191929182	RNYBQPOADYKYOC-MNOVXSKESA-N	317.349	1.152	50	20	DDGD	
Nc1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-]	133862694	QPDSRVHWDWRTIQ-UHFFFAOYSA-N	317.261	1.842	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1c[nH]nn1	194144240	YLTRFZDFLORULM-UHFFFAOYSA-N	316.199	1.489	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2cnc(C)s2)cc1	195438674	AIRSWGOYVMFQMO-UHFFFAOYSA-N	320.374	1.333	50	20	DDGD	
N[C@@H]1CCN(S(=O)(=O)c2ccc(CCCCl)cc2)C1	237986769	IJIUOWGHPAKHBP-GFCCVEGCSA-N	302.827	1.580	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cnn(C(C)(C)C)c1	91822103	RDLKAHJMNCTGRN-UHFFFAOYSA-N	315.468	1.110	50	20	DDGD	
C[C@@H](Cc1ccccc1F)NC(=O)NNC(=O)[C@@H]1CCCO1	97215656	OVKWPFIDJOAVIB-GWCFXTLKSA-N	309.341	1.266	50	20	DDGD	
O=C(CCC(F)(F)F)NNC(=O)COc1ccccc1F	266237038	NMEXONDJSPQEDA-UHFFFAOYSA-N	308.231	1.694	50	20	DDGD	
CC[C@H](C)C[C@@H](C)NC(=O)NNC(=O)C(=O)Nc1ccccn1	268294524	SOWJFTNDNXZWOR-WDEREUQCSA-N	321.381	1.175	50	20	DDGD	
CCN(CC)c1ccc(C(=O)NNc2nccn(C)c2=O)cc1	267209412	LJXXGIPGPNVRSL-UHFFFAOYSA-N	315.377	1.383	50	20	DDGD	
C[C@H]1CC/C(=C\C(=O)NNC(=O)COc2ccc(C#N)cc2)C1	267868700	PYDDUNLZRLNIQJ-IGVUGNCQSA-N	313.357	1.831	50	20	DDGD	
CSC[C@H](C)NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	265584768	RQCPLROBSGHFEI-QMMMGPOBSA-N	312.351	1.290	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)NOC1CCCC1	271634487	GCPKPOXODHWCAB-ZDUSSCGKSA-N	321.333	1.031	50	20	DDGD	
C=CCN(C)C(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	278122496	STWCOHACFGVHIA-JTQLQIEISA-N	311.769	1.966	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@H]1CCCCS1	272916778	FDTQUQNDPZYDCZ-CYBMUJFWSA-N	324.402	1.507	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1cc(OC)ccc1Cl	274405023	YQBIQNPRYBAOFJ-UHFFFAOYSA-N	321.786	1.203	50	20	DDGD	
O=C(CCCCc1c[nH]nn1)NNC(=O)c1ccccc1F	274330404	AGNHGGDAQDUIHE-UHFFFAOYSA-N	305.313	1.118	50	20	DDGD	
N#CC1=CCN(C(=O)CCn2cnc3sccc3c2=O)CC1	271142211	SJDFFWQBBAEPKR-UHFFFAOYSA-N	314.370	1.530	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2c(C)cccc2F)[C@H]1OC	275305368	QVQCEDMILKKWAO-OUCADQQQSA-N	311.357	1.953	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=O)N2CCOCC2)c(O)c1	271369032	ZBJMZFGDWHZHTN-UHFFFAOYSA-N	307.350	1.202	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNc3ccc(Cl)nn3)(CC1)C2	373882330	PHZXPLZZBVGSAH-UHFFFAOYSA-N	324.768	1.697	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNC(=O)CC(C)(C)C)cn1C1CC1	288723106	AOUFASRSDGAJFD-UHFFFAOYSA-N	305.378	1.689	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Nc1ccccc1F	284153092	WCFDBPWGJVGVAV-UHFFFAOYSA-N	313.329	1.768	50	20	DDGD	
CCOC1(C(=O)NNC(=O)CNc2ccccc2)CCCC1	287252334	WWPSLEPFUIHLCS-UHFFFAOYSA-N	305.378	1.595	50	20	DDGD	
CCOCC1(C(=O)NNc2cccc(S(C)(=O)=O)c2)CC1	281610965	BEUSVCGOWROYPS-UHFFFAOYSA-N	312.391	1.350	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)CSc1ccccc1O)C1CC1	281691567	VFBZEPYHSFYZLO-ZDUSSCGKSA-N	310.375	1.057	50	20	DDGD	
COCc1cnc(NC(=O)NNC(=O)OC(C)(C)C)s1	287405662	BZFHPZHLIJBAEF-UHFFFAOYSA-N	302.356	1.851	50	20	DDGD	
CSSCCNC(=O)c1cnc2ccc(C)cn2c1=O	283963833	GPMKPKHRTNIAQS-UHFFFAOYSA-N	309.416	1.744	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)C(F)(F)c1ccccc1	802025529	AVQSJNSIUOZMQK-UHFFFAOYSA-N	306.272	1.448	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccn(-c2ccc(F)cc2F)n1	294141464	LPUJUMGCGPHOOK-UHFFFAOYSA-N	320.299	1.712	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1Cl	293932210	OFIQPNVUIKKCHU-CBAPKCEASA-N	314.773	1.193	50	20	DDGD	
CC(=O)N[C@@H](CC(=O)NNc1cccc(F)n1)c1cccs1	804763021	GGDPCXUXQUKYNG-JTQLQIEISA-N	322.365	1.993	50	20	DDGD	
Cc1nc(Cl)ccc1CC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	293927263	NUGLRFLJCCDVAS-KWQFWETISA-N	311.769	1.301	50	20	DDGD	
O=C(NNC(=O)C1(c2ccccc2F)CC1)[C@H]1CCCCO1	295311390	FTIYBDKYPPUNIA-CYBMUJFWSA-N	306.337	1.574	50	20	DDGD	
COc1cc(C(=O)NNc2ncccc2F)ccc1[N+](=O)[O-]	804212334	QEMSZYIPNMAACQ-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cccnc2F)cc1	806569096	JVGRNVRUYOUTEM-UHFFFAOYSA-N	317.320	1.623	50	20	DDGD	
O=C(NCCOc1ncccc1F)NNc1cccc(F)n1	805223018	TZCGBBBODAPTGW-UHFFFAOYSA-N	309.276	1.460	50	20	DDGD	
C[C@H](NC(=O)CC1CCCCC1)C(=O)NNC(=O)c1ccc[nH]1	299521205	ABTFRJLQBMCAGF-NSHDSACASA-N	320.393	1.251	50	20	DDGD	
O=C(CCc1nc(-c2ccoc2)no1)NNC(=O)CC1CC1	294228274	REVMSDBUZLAAGQ-UHFFFAOYSA-N	304.306	1.210	50	20	DDGD	
COC[C@H](NC(=O)NNc1cccc(Cl)n1)[C@@H]1CCCO1	293356237	MDAPODFKVKJETN-UWVGGRQHSA-N	314.773	1.555	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CSC1CC1	294277424	HEDPDPKALZXPAS-SECBINFHSA-N	312.366	1.636	50	20	DDGD	
CO[C@H](CNC(=O)NNc1cccc(NC(C)=O)c1)C1CC1	297585947	UOLRFFUQYXHMLU-CQSZACIVSA-N	306.366	1.696	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1ncc(F)cc1F)C(C)C	297003819	RAOPSHJYXSORGU-VIFPVBQESA-N	302.281	1.184	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC2(CCC2)[C@@H]1[C@H]1CCCO1	810093939	KNMGKPBKQVCIBY-OCCSQVGLSA-N	323.437	1.213	50	20	DDGD	
CCOc1ccc(NNC(=O)C(=O)Nc2ccnn2CC)cc1	815816200	MINYYKBPMQXRMH-UHFFFAOYSA-N	317.349	1.384	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccc(F)c(F)c2F)[nH]1	815852537	YUZCWSIJZDLOET-UHFFFAOYSA-N	313.235	1.976	50	20	DDGD	
N#Cc1ccc(NCC(=O)NNc2cccc(Cl)n2)nc1	817011544	ZCGKXEHWJQZDAK-UHFFFAOYSA-N	302.725	1.557	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=Cc1cn(C)nc1O	814213947	XLFXAOUKHKCQRA-UHFFFAOYSA-N	318.333	1.054	50	20	DDGD	
O=C(NNc1ncncc1F)[C@@H]1CC(c2ccccc2)=NO1	817081509	FJHRCGBPLHEYAW-LBPRGKRZSA-N	301.281	1.252	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)c1cc2c(s1)CCC2)C1CC1	812452167	DDMITVKJEBLUBB-OAHLLOKOSA-N	308.403	1.813	50	20	DDGD	
C[C@@](C#N)(CC(=O)O)C(=O)NNC(=O)c1cc2c(s1)CCC2	819849222	YFINAOOYTQAVOY-AWEZNQCLSA-N	321.358	1.002	50	20	DDGD	
CCN(CC(=O)NN(C)CCOC)Cc1ccccc1Cl	816561759	KWAMJCCSBXGXBN-UHFFFAOYSA-N	313.829	1.771	50	20	DDGD	
C[C@@](CC(=O)NNC(=O)c1ccc[nH]1)(C(=O)O)c1ccccc1	814324399	HWISWEZXYUBQBE-INIZCTEOSA-N	315.329	1.208	50	20	DDGD	
Cn1ccc(CCC(=O)NNc2cc(C#N)cc(Cl)n2)n1	815905230	DUAKMVCPWSKPDL-UHFFFAOYSA-N	304.741	1.416	50	20	DDGD	
O=C(O)C[C@@H]1CCCN(C(=O)NNC(=O)CCc2ccco2)C1	819365055	OAYGEPGEJAECRQ-NSHDSACASA-N	323.349	1.140	50	20	DDGD	
Cc1c(NNC(=O)c2cc3n(n2)CCO3)cccc1[N+](=O)[O-]	810686384	QTZLSBHIIWVSLR-UHFFFAOYSA-N	303.278	1.249	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)[C@H](C)Oc1ccc(F)cc1	811634353	MBHOXMXTHHJEAF-WCQYABFASA-N	321.352	1.754	50	20	DDGD	
CO[C@@]1(CNC(=O)NNc2cccc(Cl)n2)CCOC1	814319766	QESVKBHVICSQRS-GFCCVEGCSA-N	300.746	1.167	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc3ccccc23)CO1	826070466	XDCUDMRBUXHDKB-YPMHNXCESA-N	313.357	1.961	50	20	DDGD	
CC(Cl)(Cl)C(=O)NNc1cccc(-c2nn[nH]n2)c1	824466476	XGLTWJYABUUPGB-UHFFFAOYSA-N	301.137	1.504	50	20	DDGD	
Cc1nn(C)c2nc(C3CC3)cc(C(=O)NN(C)[C@H](C)CO)c12	823977393	VTCFRHRVFKARQW-SECBINFHSA-N	317.393	1.112	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)C1CCCC1)NC(=O)C1CCCCC1	727305339	ZQJWAYIVYNCQMX-GFCCVEGCSA-N	323.437	1.799	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CCCCN(C)C	729525516	DXNXVGBITMJUMI-UHFFFAOYSA-N	307.394	1.117	50	20	DDGD	
CC(C)CC(=O)N[C@@H](C(=O)NNC(=O)C1CC1)c1ccccc1	727364310	RDIANZYBXMAMFG-OAHLLOKOSA-N	317.389	1.447	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CCc2nccs2)c1	728825694	MHTKORWKEGRAII-UHFFFAOYSA-N	300.343	1.409	50	20	DDGD	
CC(C)CCCCC(=O)NNC(=O)CNC(=O)OC(C)(C)C	496439862	PHEMJTVQFRQKDB-UHFFFAOYSA-N	315.414	1.875	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)OCc2nc(C(F)F)no2)cn1	820718055	BNRSZCGLQXIMNV-KRXBUXKQSA-N	309.232	1.391	50	20	DDGD	
CN(C[C@@H](O)Cc1ccccc1)C(=O)/C(C#N)=C\c1cnn(C)c1	490968916	CSYGQAQTUWMUCZ-KZRVJCNKSA-N	324.384	1.389	50	20	DDGD	
COc1cc(C(=O)NC[C@]2(C)C[C@H]2Br)ncn1	826856555	DYBPKQCWBQTWRI-KCJUWKMLSA-N	300.156	1.389	50	20	DDGD	
O=C(/C=C\[C@@H]1CCOC1)NNC(=O)CCCc1ccccc1	493763386	XWOKPNQTAVOWRX-FJVVXJACSA-N	302.374	1.749	50	20	DDGD	
C[C@@H]1[C@@H](NCc2ccc(B(O)O)cc2F)C[C@@H]1c1ccccc1	585028891	SHVYCXPURPKYBU-IWEFOYFVSA-N	313.181	1.787	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)Cc2ccc(Cl)cc2)CO1	827607149	PTOJVKYEZHGLFP-BXKDBHETSA-N	311.769	1.390	50	20	DDGD	
CCOC(=O)NNC(=O)C[C@H](c1ccccc1)N1CCOC1=O	728266819	ZYYHRTPQGUHVAS-GFCCVEGCSA-N	321.333	1.347	50	20	DDGD	
O=C(NC[C@H]1CCC[C@@H]1C1CC1)c1ccc(B(O)O)c(F)c1	585001801	DOYHWVWTDBKYKC-CHWSQXEVSA-N	305.158	1.062	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=O)c2cc3ccccc3o2)CC1	826688661	BJKXIRJBEICHHI-UHFFFAOYSA-N	300.314	1.953	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(-c3nn[nH]n3)cc2C)cc1	826210315	MMILQBRIMRYAOP-UHFFFAOYSA-N	324.344	1.941	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCC[C@H]1C[C@H]2CC[C@H]1C2	825807379	DCVYUEZJMDAIHU-HTVCTNPSSA-N	309.410	1.568	50	20	DDGD	
O=C(CCCc1nn[nH]n1)NNc1ccc(Cl)cc1Cl	821147741	KCHANJCSPPNDQM-UHFFFAOYSA-N	315.164	1.973	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCNC(C)(C)C)c1F	821938914	IQIDIJVOSHLSLM-UHFFFAOYSA-N	311.357	1.834	50	20	DDGD	
COC(=O)[C@H](CC(F)F)NC(=O)/C(C#N)=C/c1ccc(O)cc1	491133013	OIDYNHNYMHLTJE-JXPAYYINSA-N	324.283	1.612	50	20	DDGD	
CN(NC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2)C1CC1	822433780	FOCZSVCBJDGFPO-UHFFFAOYSA-N	314.345	1.587	50	20	DDGD	
Cc1cccc2nc(CCNC(=O)NNC(=O)C(C)(C)C)cn12	825965629	ZPRGQDTYZPPCDP-UHFFFAOYSA-N	317.393	1.562	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1	823952618	SCYPXUDRTNPUGI-LBPRGKRZSA-N	321.421	1.420	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NC[C@@H]2CCC=CO2)cc(C#N)n1C	490912069	WPEXLSURBMNIBO-VFXTVZEFSA-N	310.357	1.921	50	20	DDGD	
CC[C@H](CC(C)C)C(=O)NNC(=O)c1cncc(NC(C)=O)c1	827148054	CUZYDLFPGXDOIE-GFCCVEGCSA-N	320.393	1.873	50	20	DDGD	
O=C(Cn1ccccc1=O)NNc1nccc2sccc12	734249227	ONRAUWQSOPRCIS-UHFFFAOYSA-N	300.343	1.601	50	20	DDGD	
CC[C@@H](C)C(=O)NN=Cc1ccc(OC)cc1OCC(=O)O	734365737	RDOMUTVTRMHVMF-SNVBAGLBSA-N	308.334	1.655	50	20	DDGD	
CC(C)(C)OC(=O)NCCCCC(=O)NNc1cccnn1	495267434	YBRZHHUOBVLRFB-UHFFFAOYSA-N	309.370	1.615	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cccc(F)c1F	730727511	WATCVRUWXOCUPW-NSHDSACASA-N	311.332	1.383	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(C)nn1[C@@H]1C[C@H]2CC[C@H]1C2	494692710	FQUPGBVPOVJGGZ-GARJFASQSA-N	307.354	1.945	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc2scnc2c1	831406880	WGOJBHCLSNIYOE-PSASIEDQSA-N	320.374	1.874	50	20	DDGD	
CCC[C@@H](NCc1ccc(B(O)O)cc1)c1nnc2ccccn12	585032959	SAKPICPBQZBUCD-OAHLLOKOSA-N	324.193	1.040	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)cc1C	905096218	VJKAYANNPREGQL-MRVWCRGKSA-N	317.414	1.846	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cccc2ccn(C)c12	831715897	BWKOQXPUWOGDAV-JQWIXIFHSA-N	316.361	1.756	50	20	DDGD	
C[C@@H]1C[C@H](NS(=O)(=O)CCl)C(=O)N1c1ccccc1	830707122	BBOKRKJMVHMUGP-KOLCDFICSA-N	302.783	1.296	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)CNC(C)=O	732279808	ZWXCVUCQSSBISU-UHFFFAOYSA-N	308.407	1.011	50	20	DDGD	
COc1ccc2c(c1)CCC[C@@H]2CNCc1ccc(B(O)O)o1	585036233	FRLIBMZMFAJEIH-CYBMUJFWSA-N	315.178	1.178	50	20	DDGD	
C[C@@]1(C(=O)NNc2ccc(S(C)(=O)=O)cc2)CCCCO1	837489113	UXUBDSRHVBLUCY-AWEZNQCLSA-N	312.391	1.492	50	20	DDGD	
C=CCN(CC(=O)NNC(=O)c1ccc(C#N)cc1)C(C)C	839466458	AHFFGVPFVUNOER-UHFFFAOYSA-N	300.362	1.216	50	20	DDGD	
C[C@H](C[C@H](O)c1cccs1)NCc1ccc(B(O)O)cc1	585035314	RVGFSOJYZUVPBZ-RISCZKNCSA-N	305.208	1.030	50	20	DDGD	
O=C(N[C@@H]1C[C@]12CCCc1ccccc12)c1cccc(B(O)O)c1	584966370	YICBUQGDRBOTCE-MJGOQNOKSA-N	321.185	1.143	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCOc3c(F)ccc(F)c32)cc1	585042686	FOOPHYZAQWYPPZ-AWEZNQCLSA-N	319.116	1.258	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCCCN(C)C)c(F)c1	837208866	CFHIZELGHRCXMQ-UHFFFAOYSA-N	311.357	1.787	50	20	DDGD	
CC(C)(C)OC(=O)C[C@H]1CCCN(S(=O)(=O)CCl)C1	830863954	NTELONNOSHVYOI-SNVBAGLBSA-N	311.831	1.956	50	20	DDGD	
O=C(NN[C@@H](C(=O)O)c1cccnc1)c1c[nH]c2ccccc12	833149158	GSTOUNWRSBYCGL-CQSZACIVSA-N	310.313	1.623	50	20	DDGD	
O=C(NN=C1CCC(O)(C(F)(F)F)CC1)c1cnccn1	734747028	VDTLODFERMDKGG-UHFFFAOYSA-N	302.256	1.430	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc2c(n1)CCC2	831854830	DUIIUQCFFSHVQN-KOLCDFICSA-N	304.350	1.148	50	20	DDGD	
CCN(CC)C(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1cnn(C)c1	837968179	CIVKAXZKVMEHTR-ZTFCMROMSA-N	304.350	1.127	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(-n2ccnc2S)cc1	910170623	NTXOWVLWCRWBHR-JTQLQIEISA-N	306.391	1.118	50	20	DDGD	
CO[C@H]1C[C@H](N(C)S(=O)(=O)CBr)C12CCC2	832529908	RCPHIHJKDZWSNL-IUCAKERBSA-N	312.229	1.558	50	20	DDGD	
Cc1nnc(CN(C)C(=O)[C@@]2(C)C[C@H]2Br)s1	912726691	BKOPVVZGBNWOIW-XCBNKYQSSA-N	304.213	1.978	50	20	DDGD	
COC(=O)c1ccc(O)c(C=NNC(=O)[C@@H]2CCCCO2)c1	834988562	KAGFHJRZSRANEY-ZDUSSCGKSA-N	306.318	1.198	50	20	DDGD	
CC(C)CN1C[C@@H](C(=O)NNc2cccc(C#N)c2)CC1=O	748046279	KTYGUYYDRMBFMU-ZDUSSCGKSA-N	300.362	1.506	50	20	DDGD	
C[C@@H](CN(C)CC(=O)NNC(=O)C(C)(C)C)c1ccccc1	744395937	ADFHWAIMIQARMF-ZDUSSCGKSA-N	305.422	1.915	50	20	DDGD	
CCn1cc(C(=O)NN(C)C[C@@H](C)O)c(-c2ccccc2)n1	910183686	SPVWKNMXVNOSOL-GFCCVEGCSA-N	302.378	1.527	50	20	DDGD	
Cc1ccc(C=NNC(=O)Cn2nnc(-c3ccccc3)n2)cc1	915907509	SYWRCKXNQLAHSP-UHFFFAOYSA-N	320.356	1.799	50	20	DDGD	
COc1ccc(CC(=O)NNc2ccnc(N(C)C)n2)cc1	740103548	RIIVJUWUUFSWDB-UHFFFAOYSA-N	301.350	1.237	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc[nH]c1C(C)C	846640536	WLQZDSFRTPJMIY-UHFFFAOYSA-N	311.382	1.688	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccccc2OCC#N)n1	740103573	SEJZRNQQUPTIJP-UHFFFAOYSA-N	312.333	1.202	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccc(CSC(F)F)o1	744816984	BBNHDVXLNCENPI-UHFFFAOYSA-N	319.333	1.710	50	20	DDGD	
CC[C@](O)(CC(=O)NNC(=O)NCCCOC)c1ccccc1	840289039	QBDNUMBIPKCVPJ-INIZCTEOSA-N	323.393	1.041	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CN3CCC2CC3)cc1	915049162	OGQVKECXVOMAFS-UHFFFAOYSA-N	300.362	1.131	50	20	DDGD	
COc1nc(N(C)C)sc1C=NNC(=O)Cc1ccncc1	747642271	QZUCBEYRLOMZOV-UHFFFAOYSA-N	319.390	1.306	50	20	DDGD	
CN(C)C(=O)CCNC(=O)NNc1ccc(Cl)cc1F	914198726	NDHWLDDMWWSODY-UHFFFAOYSA-N	302.737	1.584	50	20	DDGD	
O=C(CCCc1ccc(F)cc1)NNC(=O)[C@@H]1CCCCO1	847063581	QXDJKDNZYQBIMV-AWEZNQCLSA-N	308.353	1.865	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cccc2c1OCCCO2	844553458	SYSNUFZNHHYAMK-ZDUSSCGKSA-N	320.345	1.178	50	20	DDGD	
C=C(CBr)CN(CCOC)C[C@H](O)C(F)(F)F	847026699	NCEZGMCKAGZUCF-VIFPVBQESA-N	320.149	1.809	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCCOc1ccccc1Cl	910168665	PXTKMYSCHHOHJL-LLVKDONJSA-N	300.786	1.843	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2ccc(CNC(N)=O)cc2)c1	748045186	AYUYBCZRVFRGCH-UHFFFAOYSA-N	309.329	1.483	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2ncc(Br)cn2)CCO1	848322180	SGSDPPLUNYENIT-YUMQZZPRSA-N	315.171	1.497	50	20	DDGD	
CCOc1ccccc1C(F)(F)C(=O)NN(C)C[C@H](C)O	910160702	MYBROYBGRKSUDB-JTQLQIEISA-N	302.321	1.521	50	20	DDGD	
CCCOc1cccnc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843660441	WMHUTNNLKRWHBR-MNOVXSKESA-N	307.350	1.056	50	20	DDGD	
Cc1cc(NNC(=O)N[C@@H](C)CS(C)(=O)=O)ccc1Cl	918607109	NHGFEKXBOFEWJR-VIFPVBQESA-N	319.814	1.708	50	20	DDGD	
C[C@@H](C=NNC(=O)C(=O)N1CCCC1)CCc1ccccc1	749158413	RAPMHQMUOBDDCT-CQSZACIVSA-N	301.390	1.980	50	20	DDGD	
COCC1CCC(NC(=O)NNc2cccc(OC)n2)CC1	841589875	KDGQRRRRVUZRIY-UHFFFAOYSA-N	308.382	1.922	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@H](CN1CCCC1)c1ccccc1	910157288	QKPSNVRBCKXTGR-ZBFHGGJFSA-N	305.422	1.210	50	20	DDGD	
CO[C@@H](CC(=O)NNc1nc2ccccc2n1C)C(F)(F)F	848380295	DEZHFOGCNOHTOT-JTQLQIEISA-N	316.283	1.984	50	20	DDGD	
CNCCNC(=O)NNc1nc(Cl)c(Cl)cc1Cl	841935720	HBXASZPMHYTYCI-UHFFFAOYSA-N	312.588	1.887	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)oc2c1C(=O)CCC2	843646801	RFPCWXCTUAQESV-UWVGGRQHSA-N	320.345	1.293	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@@H]1C[C@H]1c1cccc(O)c1	840289932	YONNVIMDBJLGPW-UONOGXRCSA-N	315.329	1.619	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)C[C@H]1CCOC1	740084378	XQOUSGDWTXZSPA-CQSZACIVSA-N	312.369	1.956	50	20	DDGD	
CCC1CCN(S(=O)(=O)NNC(=O)OC(C)(C)C)CC1	849304268	DJVVBRWMDOJFBR-UHFFFAOYSA-N	307.416	1.383	50	20	DDGD	
COCC(=NNC(=O)c1cccc(S(C)(=O)=O)c1)C(C)C	741459710	FKSCEHGUVCWQDI-UHFFFAOYSA-N	312.391	1.478	50	20	DDGD	
NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1ccc(C(F)(F)F)cn1	847753828	FTNMDDPZXBONOI-YUMQZZPRSA-N	302.256	1.055	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H]2CCC[C@H](N)C2)cc1F	841981058	PMICAEOESMISKM-VHSXEESVSA-N	324.356	1.508	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@](C)(O)C2CCC2)c1	843870719	ZILBRCACCKBHAH-MRXNPFEDSA-N	320.393	1.774	50	20	DDGD	
CC[C@@H](N)CNC(=O)NNC(=O)c1cccc2ccccc12	842004449	FFERAYBPVYLTJU-GFCCVEGCSA-N	300.362	1.521	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)N[C@H]2COC[C@@H]2C)cc1	925990012	DHNLNFSLTYBPLX-AAEUAGOBSA-N	323.418	1.452	50	20	DDGD	
C[C@H](CCN)NC(=O)NNC(=O)NCc1ccc(Cl)cc1	841966650	FTQWUQWICLEPNP-SECBINFHSA-N	313.789	1.091	50	20	DDGD	
C[C@H]1CC(=NNC(=O)Cc2c[nH]c3ccccc23)c2ncnn21	841612379	IYQBXWAAKNUSPE-JTQLQIEISA-N	308.345	1.787	50	20	DDGD	
CN1CCC[C@H](NC(=O)NC[C@]2(C)C[C@H]2Br)C1=O	856840263	OTBRCLIJGAFJMK-SBMIAAHKSA-N	318.215	1.080	50	20	DDGD	
O=S(=O)(CBr)Oc1cccc(-n2ccnn2)c1	759117826	BDWHZAHWPDRSFG-UHFFFAOYSA-N	318.152	1.328	50	20	DDGD	
CCC(Cc1ccc(Br)cc1)=NNC(=O)C(N)=O	853260548	YLQSDZOLVYGZOD-UHFFFAOYSA-N	312.167	1.359	50	20	DDGD	
O=C(NN=C1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1cc[nH]n1	853392475	MQEAPZRTKAELKT-NSHDSACASA-N	317.309	1.416	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(C)CC(=O)N(C)C1CCCCC1	855351479	HQDHOTVDENIMIC-OUKQBFOZSA-N	307.394	1.680	50	20	DDGD	
COC[C@H]1COCCN1S(=O)(=O)c1ccc(CCl)cc1	922056211	KAXOXZMNTJVJTC-LBPRGKRZSA-N	319.810	1.461	50	20	DDGD	
Cc1ccc(O)c(C=NNC(=O)[C@@H](C)CN2CCOCC2)c1	755585507	VDLCACBYJUNXJR-ZDUSSCGKSA-N	305.378	1.119	50	20	DDGD	
CC(=O)c1ccc(CC(=O)NNC(=O)NCc2ccco2)cc1	920855864	AZVPPJOMCDDDOX-UHFFFAOYSA-N	315.329	1.555	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)c1cc(C)cs1)[C@@H]1CCCO1	858371426	ZYQDGNGIUFBXQG-QWRGUYRKSA-N	307.375	1.181	50	20	DDGD	
C[C@@]1(CNC(=O)NCC2(O)CCCC2)C[C@H]1Br	856956801	VEOVGFIUGQJHBI-KOLCDFICSA-N	305.216	1.764	50	20	DDGD	
C[C@H]1CC[C@H](CCC(=O)NNC(=O)c2cccc(Cl)n2)O1	857325700	HQSJHRONEICSPU-VHSXEESVSA-N	311.769	1.844	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc(F)ccc1[N+](=O)[O-]	751302226	FPHPGTFVUZDQCI-UHFFFAOYSA-N	306.253	1.147	50	20	DDGD	
C[C@H]1CC(=NNC(=O)[C@@H]2COc3ccccc3O2)CN1C1CC1	753954728	GTPAWVOJWVUFDL-ZBEGNZNMSA-N	315.373	1.555	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1cnn(CC2CC2)c1	756812806	GMOVYMWSIAQXDV-UHFFFAOYSA-N	300.322	1.155	50	20	DDGD	
Cc1ccc(F)c2c1NC(=O)C2=NNC(=O)c1ccccc1O	750916931	VOTONNGREVVCGE-UHFFFAOYSA-N	313.288	1.926	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1cnc(C2CC2)nc1	756369914	DZNHUCKFVAWAOT-UHFFFAOYSA-N	303.244	1.459	50	20	DDGD	
CCOC1(C(=O)NN(C)C(=S)NCCCOC)CCCC1	854286576	YWNKQBSKHDHSJA-UHFFFAOYSA-N	317.455	1.210	50	20	DDGD	
CCNC(=O)CC(=O)NNc1nc2ccc(Cl)cc2s1	856234561	CRHYABLJMWKHKK-UHFFFAOYSA-N	312.782	1.919	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1)c1ccoc1	755885763	GXTDQZUENGVIOZ-JHJVBQTASA-N	307.394	1.865	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@@H]2CCN(C3CC3)C2)c1	858275699	VDQYIUSEODKASA-NSHDSACASA-N	322.434	1.485	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)C(=O)N2CCCC2)C[C@@H]1C	758115488	FEJMODKMRKMCNW-AAEUAGOBSA-N	323.393	1.080	50	20	DDGD	
CN1CCC[C@H]1C(=O)NNc1cc(C#N)ccc1Br	855617557	XKWYFCQVTHHFAU-LBPRGKRZSA-N	323.194	1.858	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NNC(=O)CC(C)C	858284468	IYMLBJAIWFITKJ-LLVKDONJSA-N	315.414	1.825	50	20	DDGD	
CC(C)Cn1cccc(C(=O)NNc2cccc(F)n2)c1=O	935961282	AGHGBRJFBDXQRS-UHFFFAOYSA-N	304.325	1.795	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CCOCC2)c2ccccc2n1	753118227	ODLDZRZEBXULJW-UHFFFAOYSA-N	313.357	1.731	50	20	DDGD	
O=C(NN=Cc1cc2ccncc2s1)C(=O)N1CCCC1	853298251	PKRNILCTNVNQSA-UHFFFAOYSA-N	302.359	1.369	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H]2CCCC(F)(F)C2)n[nH]1	869016651	NQTBJPSFFVMQEH-VIFPVBQESA-N	300.309	1.234	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNC(=O)c2cc(C)cs2)c1C	862479720	ZEGQJRNJRUJBAU-UHFFFAOYSA-N	320.418	1.893	50	20	DDGD	
C[C@H](CNS(=O)(=O)CC(C)(C)CCl)N1CCCCC1=O	867216261	KQMCEWORNSSKDO-LLVKDONJSA-N	324.874	1.572	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cc(C)cs1)N1CCCC1=O	862475913	BPMPBVGCZCUXFQ-SNVBAGLBSA-N	309.391	1.219	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2nc(-c3ccncc3)no2)CCC1=O	764103740	XUQITMOSQBABGL-MWLCHTKSSA-N	315.333	1.580	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNc2cnc3ccccc3n2)n1	867423006	ZBBRJFAMZOQVQX-LLVKDONJSA-N	310.361	1.914	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(OCC(F)(F)F)cn1	765234125	LHLDDDBJQJVDCM-UHFFFAOYSA-N	319.283	1.830	50	20	DDGD	
COC(C)(C)CCNC(=O)NNC(=O)CCOc1ccccc1	868178736	USTDTHQVDBUFAV-UHFFFAOYSA-N	323.393	1.601	50	20	DDGD	
Cc1ccc(NCc2cccc(B(O)O)c2)cc1OCC(F)F	863889194	USVGPPBQWJIRTO-UHFFFAOYSA-N	321.132	1.931	50	20	DDGD	
CC(C)C[C@H]1C(=O)NCCN1S(=O)(=O)CC(C)(C)CCl	867155342	UOAXTVZCJVZBRB-NSHDSACASA-N	324.874	1.428	50	20	DDGD	
CCCc1nnc(SCC(=O)NNC(=O)C(C)(C)C)o1	768401808	RBPALIOUXOGFBJ-UHFFFAOYSA-N	300.384	1.308	50	20	DDGD	
Cc1cc(CC(=O)NN=c2c(=O)c3cccc4cccc2c43)n[nH]1	767395547	CKRTXVRMUDMJNH-UHFFFAOYSA-N	318.336	1.435	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)N2CCOCC2)[C@H](C)C1	761261734	POXORCKTQBPUPS-NEPJUHHUSA-N	311.382	1.384	50	20	DDGD	
C[C@H](NNC(=O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F)C(F)(F)F	862319251	ZNMOPNROZODJTJ-SHGPDSBTSA-N	320.233	1.914	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNc2ccc(C(F)(F)F)nn2)[C@@H]1C	860401475	LIMOWMMPBSEUKC-FBSDJGSXSA-N	318.299	1.998	50	20	DDGD	
C[C@H](NNC(=O)c1cnn(-c2ccc(F)cc2)n1)C(F)(F)F	862314311	ZKQPIYYEMJPNRT-ZETCQYMHSA-N	317.246	1.592	50	20	DDGD	
CO[C@@]1(CNC(=O)c2c(C)nn(CCCl)c2C)CCOC1	763803951	PPIGMIAVJDWUCP-CQSZACIVSA-N	315.801	1.274	50	20	DDGD	
CC(C)[C@H](NC(=O)c1cc(B(O)O)ccc1F)c1ccccn1	865972894	OYUVATBQWHDHEH-HNNXBMFYSA-N	316.141	1.028	50	20	DDGD	
Cc1ccc(C=NNC(=O)CNC(=O)c2cccnc2)c(C)c1	763204858	SQGWCOAFUOYKFQ-UHFFFAOYSA-N	310.357	1.579	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(C)o2)cc1F	765413940	SMBCXCASVBTFQS-UHFFFAOYSA-N	319.292	1.760	50	20	DDGD	
CCCCNC(=O)NNC(=O)CN(C)CCc1ccccc1	874193030	FWCBPSYRRFHVSE-UHFFFAOYSA-N	306.410	1.291	50	20	DDGD	
Cc1nocc1CNC(=O)NC[C@]1(C)C[C@H]1Br	875757199	CYVZQIUUGTYACH-KOLCDFICSA-N	302.172	1.956	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)c2nccn21	1118561565	NAJZHRVWWHCXMJ-WCBMZHEXSA-N	318.312	1.067	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)C(=O)Nc1ccc(C2CC2)cc1	763494405	CDVHVSVHHXXWMW-UHFFFAOYSA-N	324.340	1.359	50	20	DDGD	
CCOc1cc(C(=O)NNc2cccc(C(F)(F)F)n2)[nH]n1	1118967816	KLUIJDXOZVCJAE-UHFFFAOYSA-N	315.255	1.979	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)c1c(C)nc2ccccn12	770591258	NAFRVWONQUZDQK-UHFFFAOYSA-N	310.361	1.703	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)CCCc2ccccc2)n(C)n1	874327173	YHUKGGBOCLGJLT-UHFFFAOYSA-N	314.389	1.766	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)C1CCSCC1	777433756	KTRJTROQFUQOLY-UHFFFAOYSA-N	309.391	1.645	50	20	DDGD	
CS(=O)(=O)c1cccc(NC(=O)CN2CC=C(C#N)CC2)c1	779588699	CMAQDPZBYFUTKY-UHFFFAOYSA-N	319.386	1.184	50	20	DDGD	
C[C@]1(CNC(=O)NCc2cc(N)ccn2)C[C@@H]1Br	1119419314	QCQAKLQRZGRUKO-CMPLNLGQSA-N	313.199	1.637	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)NCC2CC=CC2)C[C@H]1Br	1119185643	IEWSNCOZHKETEA-MFKMUULPSA-N	315.211	1.359	50	20	DDGD	
O=C(NNc1ccccn1)[C@]1(O)CCN(Cc2ccccc2)C1	777469132	WWRWQMFZHVOOIJ-KRWDZBQOSA-N	312.373	1.162	50	20	DDGD	
CC(C)CNC(=O)CNC(=O)[C@H](Br)C(C)(C)C	1116635826	MLNBVODNWFANLD-JTQLQIEISA-N	307.232	1.684	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@@H](C)N(C)C	873853549	YXTONEUIWASDSG-LLVKDONJSA-N	308.451	1.825	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=S)Nc1ccc(OC)nc1	874955793	WGOZYIRVABLLAO-UHFFFAOYSA-N	312.395	1.223	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccc(Cl)nn2)c(F)c1	776152352	CWOHVHJHWUZOKR-UHFFFAOYSA-N	324.699	1.813	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@@H](C)c1ccccc1F	772074303	FTCGEIKLINSCAR-MNOVXSKESA-N	324.352	1.808	50	20	DDGD	
Cc1oc(C)c(C(=O)NNc2nc(O)c3cnn(C)c3n2)c1C	770974630	NLQLGLCTOZCNSK-UHFFFAOYSA-N	316.321	1.344	50	20	DDGD	
O=C(NCCc1cnccn1)NNc1ncnc2ccsc12	774774301	XFMFCXCRMPTULV-UHFFFAOYSA-N	315.362	1.350	50	20	DDGD	
N#C[C@H]1CCCN(C(=O)NNC(=O)CCOc2ccccc2)C1	1121937032	CXDWKEMFVFFEEH-CYBMUJFWSA-N	316.361	1.432	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H](c2ccnn2C)C(C)C)nn1	788115717	XJPNARJWNWQLGZ-GFCCVEGCSA-N	317.397	1.584	50	20	DDGD	
CS[C@@H]1CC[C@H](NC(=O)NNC(=O)C2CCOCC2)C1	883472413	BMXNPUMNAMSSAS-WDEREUQCSA-N	301.412	1.028	50	20	DDGD	
CCn1cc(NC(=O)C(=O)NNc2ccc(Cl)nc2)cn1	784871205	HISWBKKVQVFOJO-UHFFFAOYSA-N	308.729	1.033	50	20	DDGD	
O=S(=O)(CCCCl)NCc1ccc(OC(F)F)cn1	882134308	GSCCKDYZUQIGJN-UHFFFAOYSA-N	314.741	1.731	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1ccc(OCC(F)(F)F)c(F)c1	785466243	NSECFXAUIIWNRO-UHFFFAOYSA-N	322.258	1.988	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2ccc(OC)c(OC)c2)CCC1	785682039	LJXWBUONGGWPKS-UHFFFAOYSA-N	322.361	1.282	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2	785408989	RALHPUWXJCKYCV-LURQLKTLSA-N	308.300	1.536	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1[nH]cnc1C	895443149	BYUCNZKWVDFWQS-UHFFFAOYSA-N	302.334	1.121	50	20	DDGD	
CN(CCO)CCNC(=O)CCCC[C@@H]1CCSS1	899729724	NLHWZIILHJUCQB-GFCCVEGCSA-N	306.497	1.741	50	20	DDGD	
Cn1c(Cl)cnc1C=NNC(=O)COc1ccc(F)cc1	799473284	ZIPWOSGWGFFMLN-UHFFFAOYSA-N	310.716	1.742	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cccnc2-n2cccn2)n1	794089888	MGUFMARMVJRYQH-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)c2ccncc2)[nH]c1C	799464414	ZROAAQUEMBEQTD-UHFFFAOYSA-N	300.318	1.659	50	20	DDGD	
CC(=NNC(=O)c1cc(Cl)ccc1O)c1ccc(O)nn1	790154558	WVGFVXBTKWOKEI-UHFFFAOYSA-N	306.709	1.695	50	20	DDGD	
C=C(CBr)n1cc(CN2CCOC[C@H]2C)nn1	899210710	JBTMRQMIFGWPSC-SNVBAGLBSA-N	301.188	1.364	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H](c1ccccc1)n1cccn1	798306629	OUPQEBIPPLNZRW-ZDUSSCGKSA-N	315.402	1.154	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1c(F)ccc(O)c1O	790070242	MVRSDCBBYFIPOG-UHFFFAOYSA-N	322.267	1.380	50	20	DDGD	
CSC1(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)CC1	798310095	SCTRETJZNGPAJI-UHFFFAOYSA-N	321.402	1.285	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)COc1ccc(C)c(C)c1	794863208	GIRYXXYAAIUOTA-INIZCTEOSA-N	308.378	1.645	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C[C@H]1OC(=O)c2ccccc21	1317667344	IIAJKJWNAWJXJG-LLVKDONJSA-N	307.375	1.192	50	20	DDGD	
CCN1CCC(NC(=O)NNC(=O)c2ccc(OC)cc2)CC1	1317876644	ASPCWHFHWOPTPR-UHFFFAOYSA-N	320.393	1.124	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)c1ccccc1Cl)[C@@H]1CCCO1	1321433807	NGIFAMZCYNDYNS-OLZOCXBDSA-N	321.764	1.465	50	20	DDGD	
CSc1ncc(Br)c(C(=O)NN(C)C2CC2)n1	1328343306	SVZSXDOQNWMPLT-UHFFFAOYSA-N	317.212	1.700	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCc2ccncc2C)cc1	1320785499	DUGIMCKGFUITAL-UHFFFAOYSA-N	314.345	1.543	50	20	DDGD	
COC(=O)c1ccc(N2CCN(C(=O)CCl)[C@H](C)C2)cc1	1324706553	MUNFYQMPNJAKMK-LLVKDONJSA-N	310.781	1.749	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2CCC(F)(F)C2)cc1	1323958184	BJWYAKSVQYSGQC-JTQLQIEISA-N	313.304	1.827	50	20	DDGD	
CN(C)c1cccc(Cl)c1C=NNC(=O)[C@@H]1CCC(=O)N1	1329557500	OAINAZZGYSCEFP-NSHDSACASA-N	308.769	1.135	50	20	DDGD	
COC(=O)C(=O)NN=Cc1c(Cl)cc(Cl)cc1N(C)C	1327588475	WMLGKNXZWAPRMT-UHFFFAOYSA-N	318.160	1.683	50	20	DDGD	
Cc1ccc2cc(C=NNC(=O)C[n+]3ccccc3)ccc2n1	1326862812	GBWUDGNTCLIPEX-UHFFFAOYSA-O	305.361	1.981	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@H](c1cccc(C)c1)C(C)(C)C	1252594944	ASFAIIBLVQPZEE-GFCCVEGCSA-N	321.377	1.586	50	20	DDGD	
O=C(NC[C@@H]1CCCCCN1)NNC(=O)c1cccc(Cl)c1	1335718478	ZNKUISHCSZLUJZ-ZDUSSCGKSA-N	324.812	1.816	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@]2(F)CCOC2)c1	1332508503	XCULXKCIEVREFO-ZDUSSCGKSA-N	315.345	1.580	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H]1C[C@@H](c2ccccc2)OC1=O	1347466085	CEECHTBVZIFGSY-RYUDHWBXSA-N	321.402	1.195	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNC(=O)c1ccccc1Cl	1345023166	FUTUVGGGOZWHIW-VIFPVBQESA-N	312.753	1.690	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1CCC(=NNC(=O)Cc2cc[nH]n2)C1	1351650847	KXYGORRXBWHLLN-SNVBAGLBSA-N	321.381	1.502	50	20	DDGD	
COCc1cccc(CC(=O)NNc2ccc(C(=O)O)cn2)c1	1606963194	BJSUANFBOOHMGV-UHFFFAOYSA-N	315.329	1.612	50	20	DDGD	
Cc1cc(F)ncc1C(=O)NNc1ccc(CC(=O)O)cc1	1607665907	FPOIAYLPRUTHAY-UHFFFAOYSA-N	303.293	1.913	50	20	DDGD	
Cn1c(C=NNC(=O)CCOc2ccccc2)ccc1C(=O)O	1600912195	NPCOBEZJNFCOFV-UHFFFAOYSA-N	315.329	1.643	50	20	DDGD	
COc1cccc(NNC(=O)c2cc(C)cc(C(=O)O)c2)n1	1607326016	QDCXOPMGLRAGOC-UHFFFAOYSA-N	301.302	1.854	50	20	DDGD	
O=C(CCc1cccc(O)c1)NNc1cccc(-c2nn[nH]n2)c1	1606530824	ZPPAXQPJEOVUJU-UHFFFAOYSA-N	324.344	1.648	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)C1=COCC1	1609558731	FIQCGNYWPFUPDJ-UHFFFAOYSA-N	306.713	1.267	50	20	DDGD	
O=C(O)CC1(CC(=O)NNc2ncnc3[nH]cnc23)CCCC1	1610752795	CLBWOSUIHBBFAZ-UHFFFAOYSA-N	318.337	1.221	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)CN3C2)c(C)o1	1548616215	ZEVKZHKTXIHOLN-LERXQTSPSA-N	319.405	1.778	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1ccc(N)cc1C	1549319037	FXNYTVCXAVOSTK-HOCLYGCPSA-N	316.405	1.281	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CC[C@@H]2COC(C)(C)N2)cc1	1578252479	BRRBCAPZBNQMCX-CQSZACIVSA-N	319.405	1.515	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCCC23CCNCC3)o1	1579663950	REKYGZICTWBRNY-ZDUSSCGKSA-N	319.405	1.909	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)CCC23CC(CN2)C3)c1	1579351698	QHLXIOYRROTCFQ-UHFFFAOYSA-N	323.418	1.065	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)c2ccc(N)cc2O)cc1	1578820879	MZSRSDVLDVYMNA-UHFFFAOYSA-N	315.329	1.447	50	20	DDGD	
C[C@@H](NC(=O)NNc1nc2cccnc2s1)c1cnn[nH]1	1575644689	AAIZHIKUANLVPR-ZCFIWIBFSA-N	304.339	1.197	50	20	DDGD	
C[C@H](CNC(=O)NNc1ccc(-c2nn[nH]n2)cn1)C(C)(C)C	1589859363	RZQURSTXLGFVLF-SECBINFHSA-N	318.385	1.570	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H]1C[C@@H]1F)C2	1841669973	ABDHPIRDABXBGO-TUAOUCFPSA-N	316.804	1.955	50	20	DDGD	
C#CC[C@H](CCOC)NC(=O)NNc1ccc(CC(=O)O)cc1	1588393789	JTTARFPBFBKDRT-CYBMUJFWSA-N	319.361	1.368	50	20	DDGD	
O=S(=O)(CBr)NC[C@@H](O)c1ccsc1	230723054	QQZAQPZWHRKCGD-SSDOTTSWSA-N	300.199	1.053	50	20	DDGD	
N#CCCC(=O)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846387259	CHACHPQXADTSCL-UHFFFAOYSA-N	304.177	1.297	50	20	DDGD	
NCC1(CC(=O)NNC(=O)c2c(Cl)cccc2Cl)CC1	1580241967	XCKJTMJRXFRYHF-UHFFFAOYSA-N	316.188	1.883	50	20	DDGD	
CC1(C)C[C@]1(C(=O)O)C(=O)NNC(=O)c1cc2c(s1)CCC2	1589219274	LOEMMFZTFMHDCB-OAHLLOKOSA-N	322.386	1.499	50	20	DDGD	
COC(=O)c1ccnc(C(=O)NNc2cccc(C(=O)O)c2)c1	1599006325	QABZAFWUAWZDTN-UHFFFAOYSA-N	315.285	1.323	50	20	DDGD	
Cc1cc(C(=O)N2CC3(CCCN3C(=O)[C@@H](F)Cl)C2)no1	1843362943	MXKCESXPEXOQOO-SNVBAGLBSA-N	315.732	1.334	50	20	DDGD	
CC1(C)OC[C@@H]2C[C@]21C(=O)NNc1cccc(C(=O)O)c1F	1593976098	GKVXHSWSIXOFAV-VXJOIVPMSA-N	308.309	1.782	50	20	DDGD	
COc1cc(C)cnc1C(=O)NNc1ccc(CC(=O)O)cc1	1599395088	LVOFEVDRJWAHLD-UHFFFAOYSA-N	315.329	1.783	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(C(=O)O)c2cc[nH]c2c1	1596663685	YRWGMBYJEWAJOZ-UHFFFAOYSA-N	306.278	1.649	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)C(F)F)CCO2)C1	1781213392	NYJQYUACBFGXSM-NOZJJQNGSA-N	324.755	1.099	50	20	DDGD	
COC(=O)NNC(=O)c1cccc(Cn2nc(C)cc2C)c1	158947290	BHBJQHUDBNXOFJ-UHFFFAOYSA-N	302.334	1.549	50	20	DDGD	
O=C(NNc1cccc2c1CCCC2)c1n[nH]cc1[N+](=O)[O-]	163808400	DAYMKNOKCCRNIF-UHFFFAOYSA-N	301.306	1.954	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCCc1ccc(NC(C)=O)cc1	159406859	QBFRSEOXDITSFS-KAMYIIQDSA-N	301.346	1.748	50	20	DDGD	
CCCCN(C)c1ccc(NC(=O)NNC(=O)CN(C)C)cc1	159906637	TXWAGEUOIMKSTA-UHFFFAOYSA-N	321.425	1.637	50	20	DDGD	
CN(CCOCCO)S(=O)(=O)c1ccc(CCCl)cc1	312550174	JBLCXTDOKTWRPD-UHFFFAOYSA-N	321.826	1.097	50	20	DDGD	
O=C(CCl)N[C@H](CCN1CCOCC1)c1ccc(F)cc1	1887504401	GIFOIAGJHGFUPV-CQSZACIVSA-N	314.788	1.944	50	20	DDGD	
CCCNC(=S)NNC(=O)c1ccc(Br)cc1	6854741	CZLIHMONDBMVHX-UHFFFAOYSA-N	316.224	1.968	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)Cc2cccnc2)cc1	103504505	NOCYWHFBXIASRO-UHFFFAOYSA-N	314.345	1.163	50	20	DDGD	
O=C(NCc1ccccn1)NNC(=O)c1c[nH]c2ccccc12	9737374	KQICDGBCQHJOAR-UHFFFAOYSA-N	309.329	1.707	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cn(C)c2ccccc12	9798600	WTHCSJQYYNHCQK-UHFFFAOYSA-N	304.350	1.159	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)n1cncn1	29755393	LJAGBXPAXGSWFO-GYPVXTSCSA-N	317.393	1.203	50	20	DDGD	
NC(=O)N[C@@H](CC(=O)NNc1ccccc1)c1cccs1	111555781	CWFUOPQROFGYCS-NSHDSACASA-N	304.375	1.991	50	20	DDGD	
CS[C@@H](C(=O)NNC(=O)c1cccn1C)c1ccccc1	172496991	YXGJWANAPSKOSE-CYBMUJFWSA-N	303.387	1.890	50	20	DDGD	
O=C(Cc1cccc([N+](=O)[O-])c1)NNC(=O)CC1CCCC1	175840460	RUEAENUNPPUBHE-UHFFFAOYSA-N	305.334	1.865	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@H]1C1CCC1	103518435	WPSJAQJRSZTTGO-AWEZNQCLSA-N	302.378	1.629	50	20	DDGD	
CCCN(CC(=O)NNC(=O)c1ccccc1Cl)C1CC1	173324956	DVJHNSPDLAPVKN-UHFFFAOYSA-N	309.797	1.975	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCCCOC2CCCCC2)cn1	117956276	NCWCTKOHDSAGJT-UHFFFAOYSA-N	323.397	1.104	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCOc1ccccc1[N+](=O)[O-]	64425138	FPPOSHILKXSDQA-UHFFFAOYSA-N	324.337	1.494	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)N2CCOCC2)cc1	27338553	TVINVJDPARHYQI-UHFFFAOYSA-N	309.391	1.160	50	20	DDGD	
O=C(Cn1c(=O)oc2ccccc21)NNc1ncccc1Cl	114886345	IKUXIGDFNKHBHA-UHFFFAOYSA-N	318.720	1.786	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)/C=C/c2ccc(Cl)s2)[nH]n1	178371080	SHSVCIPVSGPWKX-HWKANZROSA-N	310.766	1.907	50	20	DDGD	
O=C(CSC[C@H]1CCCO1)NNC(=O)c1ccc(F)cc1	171170306	GSMGSGQAGOZOSZ-GFCCVEGCSA-N	312.366	1.499	50	20	DDGD	
Cc1nc(-c2ccccc2)ncc1C(=O)NNc1cnccn1	126067975	GHIXETNHTGOYGW-UHFFFAOYSA-N	306.329	1.999	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@H](C)Oc1ccccc1F)N(C)C	126303157	IWJLTXJQRBADQV-JQWIXIFHSA-N	311.357	1.081	50	20	DDGD	
O=C(CCn1cc([N+](=O)[O-])cn1)NNc1ccccc1[N+](=O)[O-]	65641842	AHKCUIFSSXAXJO-UHFFFAOYSA-N	320.265	1.233	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CCCN(C)C(=O)OC(C)(C)C	63265338	AUUKGKFVJFPBPU-UHFFFAOYSA-N	316.402	1.372	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1ccccc1F)c1ccccn1	66908452	BVXOPHACVOYJJJ-NSHDSACASA-N	316.336	1.855	50	20	DDGD	
Cc1cccc(S(=O)(=O)NNC(=O)CC(C)(C)C)c1F	180508205	SNKVPGOAKVBVLU-UHFFFAOYSA-N	302.371	1.880	50	20	DDGD	
O=C(NNC(=O)C1(O)CCCCC1)c1cccc([N+](=O)[O-])c1	127885858	QTGOZVXJCDMNCD-UHFFFAOYSA-N	307.306	1.051	50	20	DDGD	
O=C(/C=C/c1nc2ccccc2s1)NNC(=O)[C@@H]1CCCO1	121502486	WILRABZJJHYARN-AEZGRPFRSA-N	317.370	1.636	50	20	DDGD	
COc1ccccc1C(=O)C(=O)NNc1cccc([N+](=O)[O-])c1	184066360	CZTCDXKNTIEYCL-UHFFFAOYSA-N	315.285	1.929	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cccc(Cl)c1Cl	32262821	UINMADQSMZEVET-VIFPVBQESA-N	303.145	1.933	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CCCOC(C)C)cc1	182645817	ABIWWJOPNWSQSV-UHFFFAOYSA-N	307.394	1.760	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc2c(c1)OCCO2	33472289	OQPAZBFDYQWZSY-LCYFTJDESA-N	302.330	1.517	50	20	DDGD	
COc1cccc(NNC(=O)CCn2c(C)c(C)sc2=O)n1	180730336	KNGTYAOLHALELB-UHFFFAOYSA-N	322.390	1.464	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2n[nH]c3c2CCC3)c2ccccc21	120240248	BCUZSLNXEWSOCE-UHFFFAOYSA-N	323.356	1.465	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@@H]1CCCN(CC(F)(F)F)C1	182460252	JUYMLYUHKUDDJJ-SECBINFHSA-N	320.290	1.938	50	20	DDGD	
COc1nc(C(=O)NNC(=O)c2ccc[nH]2)cc2ccccc12	123209729	LBLYQTGWNACYHM-UHFFFAOYSA-N	310.313	1.646	50	20	DDGD	
Cc1noc2ncc(C(=O)NNC(=O)c3ccccc3O)cc12	43109373	YGDSKOLFJPXSLP-UHFFFAOYSA-N	312.285	1.312	50	20	DDGD	
COc1ccc(-c2cncc(C(=O)NNC(=O)N(C)C)c2)cc1	133628157	JKXFOBRCKQXJKA-UHFFFAOYSA-N	314.345	1.673	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(Br)cc1)S(C)(=O)=O	48733464	JCEAHGYADPABES-ZETCQYMHSA-N	321.196	1.325	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)c2ccc(Cl)c(F)c2)nn1	130378271	XSJDWAQKHIFURK-UHFFFAOYSA-N	309.688	1.125	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccncc2)cnn1-c1ccccn1	193116355	IWGYNUHWJKZUOO-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cccc(N(C)C)c2)nc1	133649063	BBKFYQRGTAXXJA-UHFFFAOYSA-N	314.345	1.691	50	20	DDGD	
CNC(=O)NNC(=O)CCOc1cccc(Br)c1	48950373	BMDGZYWCVQXXFW-UHFFFAOYSA-N	316.155	1.178	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCN2CCC(C)CC2)n1	46370742	UHRXQIFMJBWPCA-UHFFFAOYSA-N	306.414	1.451	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2cnn(C)c2)ccc1Cl	194395822	COUWXZRZYZHMLT-UHFFFAOYSA-N	323.740	1.549	50	20	DDGD	
COC(C)(C)CNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	80697649	FMPQFHOUYMUFDP-MLPAPPSSSA-N	300.362	1.653	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1c[nH]c2ccccc12	42901375	NLHLRDVYBPIZBW-UHFFFAOYSA-N	304.350	1.077	50	20	DDGD	
Cc1nccc(C(=O)NNc2ccc(-c3ccccc3)nn2)n1	85653098	YVASHSHBMFKWGN-UHFFFAOYSA-N	306.329	1.999	50	20	DDGD	
CCc1cnc(CNC(=O)NNC(=O)Cc2ccncc2)s1	83235115	YWOVRVQFPAMRQY-UHFFFAOYSA-N	319.390	1.174	50	20	DDGD	
Cc1cc2ccccc2n1CC(=O)NNC(=O)Cc1ccncc1	81026926	WCPWSANTSATAKJ-UHFFFAOYSA-N	322.368	1.735	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)cc1Cl)C(=O)NC1CC1	254289363	FUQCYOAUNUYPKJ-UHFFFAOYSA-N	300.145	1.722	50	20	DDGD	
C/C(=C\c1cccc(Cl)c1)C(=O)NNC(=O)c1cnn(C)c1	255868465	ZRDMZZGIBYQYCD-UXBLZVDNSA-N	318.764	1.938	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](C)CC[S@](C)=O	268272986	TYLAPKZJTZFNOF-LXGOIASLSA-N	319.858	1.626	50	20	DDGD	
CN(CC(=O)NNc1ccc(Cl)nn1)C(=O)OC(C)(C)C	265373585	AXIWWQNBRJMNFP-UHFFFAOYSA-N	315.761	1.440	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1)NC1CC1	267050120	VRFWWZGULNORJA-AWEZNQCLSA-N	320.368	1.283	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C(C)(C)NC(=O)OC)c1ccccc1	264624820	AORVKQSWLMIFDU-LBPRGKRZSA-N	321.377	1.462	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C(=O)C(C)(C)C)c1C	265020109	IGOKYZMWBJYCDH-LBPRGKRZSA-N	320.389	1.833	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)NCC[C@H](C)O)c1C	265632927	TVCONAVSBFEGNH-RKPNYOAGSA-N	319.405	1.545	50	20	DDGD	
COc1ccc(SCCC(=O)NNC(=O)C2CC2)cc1OC	265877517	KOXVFXGXQMYPQG-UHFFFAOYSA-N	324.402	1.743	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)CNc2cccc(OC)c2)O1	268096541	AFQDCHDZXGKMES-TZMCWYRMSA-N	321.377	1.212	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNC(=O)CC2CC2)ccc1C	273519068	SZIVUEZNSZEBLL-UHFFFAOYSA-N	305.334	1.734	50	20	DDGD	
N#CC1(C(=O)NNc2nnc(-c3ccccn3)s2)CCC1	276501063	UXFHLMWJICLFJA-UHFFFAOYSA-N	300.347	1.737	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1C[C@]12CCc1ccccc12	369453397	UTBOOHQQKUJDGP-YOEHRIQHSA-N	310.357	1.004	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)COCc2ccccc2)CCO1	271322575	YLTQBVZMWMOXFT-TZMCWYRMSA-N	321.377	1.101	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H](C)Cc1ccc(OC)cc1	270298379	RCAUDCHCHWVJNT-GFCCVEGCSA-N	323.393	1.241	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCCC[C@@H](C)CO)c1ccccc1	270526045	NLDAUKBFNITLSG-UKRRQHHQSA-N	321.421	1.919	50	20	DDGD	
O=S(=O)(CBr)NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21	272806033	MCSXPGFNTLVQBR-IJLUTSLNSA-N	316.220	1.844	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2cc(Cl)ccn2)CCCC1	272153820	AXKRVVBETZRQGB-UHFFFAOYSA-N	317.798	1.536	50	20	DDGD	
Cc1cccn2cc(CNS(=O)(=O)CBr)nc12	272834232	RNOYVRQKBWMKKQ-UHFFFAOYSA-N	318.196	1.415	50	20	DDGD	
CN(C)C(=O)NNC(=O)CC(C)(C)CC(=O)c1ccccc1	281669394	DMPOFQLXISMFSA-UHFFFAOYSA-N	305.378	1.978	50	20	DDGD	
Cn1nnc2cc(C(=O)NNc3nccnc3C3CCC3)ccc21	286938270	JQSJYELYBWZSPG-UHFFFAOYSA-N	323.360	1.783	50	20	DDGD	
CC(C)c1[nH]ccc1C(=O)NNC(=O)COc1ccccc1O	285587201	XGPSMCZIBLBWAS-UHFFFAOYSA-N	317.345	1.684	50	20	DDGD	
CC(C)(NC(=O)C(F)(F)F)C(=O)NNc1cccc(F)n1	286362262	DNVRBHNUUZEWKV-UHFFFAOYSA-N	308.235	1.121	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@](C)(O)[C@@H](C)c1ccccc1	281373707	WUIMXJIIEIOOGV-NHYWBVRUSA-N	307.419	1.222	50	20	DDGD	
O=C(NCCC1(O)CCOCC1)NNc1c(F)cccc1F	288275856	PXUZLYBEPDSZRB-UHFFFAOYSA-N	315.320	1.523	50	20	DDGD	
Cn1ncc2c1C[C@H](C(=O)NNc1cccc([N+](=O)[O-])c1)CC2	282891439	WGFCGZKNDAWFGA-SNVBAGLBSA-N	315.333	1.577	50	20	DDGD	
COCCC(=O)NNC(=O)Nc1ccc(Br)cc1	283650255	DCZVXHGPOOUWHX-UHFFFAOYSA-N	316.155	1.638	50	20	DDGD	
O=C(C[C@@H]1CCCC(=O)N1)NNc1ccc(OC(F)F)cc1	289898832	UFEFTMIUKIXBNO-JTQLQIEISA-N	313.304	1.790	50	20	DDGD	
Cc1cnc(Cl)c(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	297953857	XFLACHVCUBSROM-WPRPVWTQSA-N	312.757	1.764	50	20	DDGD	
COc1ccc(NNC(=O)c2cnn(CCF)c2)c([N+](=O)[O-])c1	807099430	VJHGFULZVYNLES-UHFFFAOYSA-N	323.284	1.526	50	20	DDGD	
COC(=O)Cc1occ(C)c1C(=O)NNC(=O)c1ccc(C)o1	290339393	IISROECRDOHLHV-UHFFFAOYSA-N	320.301	1.280	50	20	DDGD	
Cc1nn(C)cc1C(=O)NNC(=O)Nc1cc(F)cc(F)c1	802006823	QZUGYJMMZGEBIZ-UHFFFAOYSA-N	309.276	1.473	50	20	DDGD	
CCCN(CC(=O)NNC(=O)c1ccc(F)cc1)CC(F)F	298126722	NHXKGQZBZFEKHV-UHFFFAOYSA-N	317.311	1.564	50	20	DDGD	
COc1cccc2c(C(=O)NNc3ncncc3Cl)n[nH]c12	809792141	JVWHNBBTJLVUGC-UHFFFAOYSA-N	318.724	1.772	50	20	DDGD	
CO[C@H](CNC(=O)OC(C)(C)C)C(=O)NNc1ncccc1C	290451779	OPZYOYIJFLBKPQ-LLVKDONJSA-N	324.381	1.373	50	20	DDGD	
CCC1(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)CC1	294763396	XGHJAANRGUTQKL-UHFFFAOYSA-N	311.407	1.570	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(CN2CCCCC2)cc1	299375393	MAQFGHJFEPGOQY-UHFFFAOYSA-N	304.394	1.589	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)Cc1c[nH]c2ccccc12)C1CC1	804163323	HHXXMKXTAPQCLD-MRXNPFEDSA-N	301.346	1.019	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2CC2(F)F)c1C	294407248	PUTAFQJXOKIKDJ-MNOVXSKESA-N	312.316	1.873	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2c[nH]nc2C)c(C)c1OC	804355516	ZFQGAOSUNZOEFO-UHFFFAOYSA-N	318.333	1.119	50	20	DDGD	
CCOc1cc(C(=O)NNC(=O)COc2ccc(C)cc2)on1	294268890	GUONZAQGUYADKF-UHFFFAOYSA-N	319.317	1.222	50	20	DDGD	
CCOCCCNC(=O)NNC(=O)Nc1cc(F)cc(F)c1	297407273	ILZCJBXZNIXIIF-UHFFFAOYSA-N	316.308	1.727	50	20	DDGD	
O=C(CCc1ccc(OC(F)(F)F)cc1)NNc1nnc[nH]1	293906979	LLCQVRNVHYUQBV-UHFFFAOYSA-N	315.255	1.779	50	20	DDGD	
CC[C@@H]1CCC1=NNC(=O)Cc1csc(N2CCOCC2)n1	807959763	ZFQPDMRUKFOHOP-LLVKDONJSA-N	322.434	1.814	50	20	DDGD	
CN(NC(=O)c1cccc(NC(N)=O)c1)C(=O)OC(C)(C)C	297542209	FBRQEVPZLSCVNE-UHFFFAOYSA-N	308.338	1.689	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1ccc[nH]1)c1ccc2c(c1)OCO2	292351131	YXQKKSHQIWLXRF-UHFFFAOYSA-N	315.329	1.482	50	20	DDGD	
CCCOc1ncccc1CNC(=O)NNC(=O)CC(C)C	299251146	OTCKNXBYSGMLHX-UHFFFAOYSA-N	308.382	1.747	50	20	DDGD	
Cc1nn(Cc2ccccc2)c(N)c1C(=O)NN=c1cc[nH]cc1	803078369	IBFGPUAEZSBPIV-UHFFFAOYSA-N	322.372	1.396	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNC(=O)c1ccccc1F	805152612	FOAFCMHXMPFYGX-UHFFFAOYSA-N	310.325	1.566	50	20	DDGD	
O=C(NNc1ncncc1F)Nc1cnn(CC(F)F)c1	814648150	OOPQJJOSIDBUSS-UHFFFAOYSA-N	301.232	1.226	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cc(CN2CCCC2)on1	812556269	UGGMJYWUWWDAIG-UHFFFAOYSA-N	322.756	1.471	50	20	DDGD	
COCCC(COC)=NNC(=O)CSc1ccccc1O	814970986	LXMKJTJXKKHNAO-UHFFFAOYSA-N	312.391	1.639	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=C2COCCOC2)o1	814821938	DFHIHJRZDALOBX-UHFFFAOYSA-N	309.366	1.254	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2ccc(Cl)cc2)on1	814688060	HNFMABWGNLULNA-UHFFFAOYSA-N	307.693	1.879	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@]1(C)CC1(F)F	817424778	CYLDPNWPYOGHSF-AMIZOPFISA-N	316.279	1.786	50	20	DDGD	
C[C@](O)(C(=O)NNc1ccccc1S(C)(=O)=O)C1CCC1	813487770	LUJATSXXIZOCSM-CQSZACIVSA-N	312.391	1.084	50	20	DDGD	
CCn1ccnc1C(=O)NNC(=O)c1cccc(OC(F)F)c1	813439101	IGDXRZRHJPBTJO-UHFFFAOYSA-N	324.287	1.579	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ncncc2F)c(C)c1	815764294	BGKUQYGZQZYKHO-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1ccc(-n2cnnn2)cc1	817010553	HCIBBKZOVJOQPL-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
CC(C)(O)CN1CCC(=NNC(=O)Cc2ccccc2F)CC1	814221738	LHRZELVWBXKJPQ-UHFFFAOYSA-N	321.396	1.707	50	20	DDGD	
O=C(NCc1ccc2c(c1)OCCO2)NNc1ncncc1F	814268792	IIGWVAXQPFASTR-UHFFFAOYSA-N	319.296	1.213	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1CCC[C@H]1C(C)(C)C#N	814762879	MYJBTPQOCDGCBM-UONOGXRCSA-N	320.437	1.777	50	20	DDGD	
O=C(NNC(=S)NC1CCC1)c1cnn(-c2ccccc2)c1	814199028	VQBUGDZPCOGMSK-UHFFFAOYSA-N	315.402	1.534	50	20	DDGD	
COc1ccnc(NNC(=O)c2cnnc(-c3ccccc3)c2)n1	810090530	PWDGAFGRHNKLFM-UHFFFAOYSA-N	322.328	1.699	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)Cc1ccc(F)cc1)n1cccn1	819012921	LXXRTAGSAKEEMI-LLVKDONJSA-N	304.325	1.363	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)C1(Br)CC1	822913116	DGQYCXJMADVBLB-UHFFFAOYSA-N	323.154	1.033	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNc1nc(O)c2ccccc2n1	826861487	VPVZFZZOYPGDKF-PWSUYJOCSA-N	300.318	1.370	50	20	DDGD	
O=C(NNS(=O)(=O)c1cccc2ccoc12)NC1CCCC1	829781752	JEZIZAPPCSXUIG-UHFFFAOYSA-N	323.374	1.868	50	20	DDGD	
CSCCNC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	726279302	STQFCVXWWNVXSK-VIFPVBQESA-N	315.370	1.286	50	20	DDGD	
C[C@H](CNC(=O)/C(C#N)=C/c1ccc(O)cc1)Cn1ccnc1	491175766	MRDRSDHPQOZYMD-MGMWDDNKSA-N	310.357	1.948	50	20	DDGD	
O=C(NCc1cccc(C(=O)O)c1)NNC(=O)c1ccoc1	821446234	CSBUGXXEZDQFBB-UHFFFAOYSA-N	303.274	1.122	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCC(C)(C)c2cccnc2)cn1	491102706	ITCVQKIETQQZIN-VGOFMYFVSA-N	309.373	1.816	50	20	DDGD	
CC(C)Cn1cc(C(=O)NNC(=O)C2CC2)c(C(F)F)n1	822192417	MFOVGYPQVOSRMB-UHFFFAOYSA-N	300.309	1.648	50	20	DDGD	
CC(C)C[C@@H](CNC(=O)/C(C#N)=C/c1cnn(C)c1)N(C)C	491014134	WEHNESVLTDCXPK-LULHVWEPSA-N	303.410	1.420	50	20	DDGD	
CCCNC(=O)NNC(=O)Cc1ccccc1O[C@@H]1CCOC1	825437811	KTNUBWVKUGBRHH-CYBMUJFWSA-N	321.377	1.137	50	20	DDGD	
Cn1nccc1/C=C(/C#N)C(=O)NCc1ccc(F)c(F)c1	490664827	VRUMZICLZDVRGF-XFFZJAGNSA-N	302.284	1.922	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc2c(c1)NC(=O)CCS2	823987397	HJYQDTIZNNDSGA-SECBINFHSA-N	309.391	1.078	50	20	DDGD	
CCC(=O)C1(C(=O)NNc2nc(-c3ccccc3)no2)CC1	823232293	PLYLEEPQNAFVCF-UHFFFAOYSA-N	300.318	1.939	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@@H]1C[C@H]1C1CCC1	823879510	HYCXNQBYABAJAN-UONOGXRCSA-N	317.389	1.757	50	20	DDGD	
CC(C)(C)OC(=O)N(CCC(=O)NNC(=O)C1CC1)C1CC1	496416361	BEKPRYHARIGMDK-UHFFFAOYSA-N	311.382	1.333	50	20	DDGD	
CCN(CCO)NC(=O)[C@H](C)c1cccc(Br)c1	823888999	DXHVDFQFJKKGQG-SNVBAGLBSA-N	315.211	1.898	50	20	DDGD	
CCCCCN(CCCOC)C(=O)c1cccc(B(O)O)c1	584971927	ICQBSJKPOBTJOF-UHFFFAOYSA-N	307.199	1.035	50	20	DDGD	
CCCOc1ccc(C(=O)NN(C)[C@@H](C)CO)cc1OCC	823988426	RZRDJTIGQPSENY-LBPRGKRZSA-N	310.394	1.832	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)CC(F)(F)F)cn1	726903145	JVYGWWJCCHVIBH-UHFFFAOYSA-N	308.285	1.360	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)c1F	909361862	RQEDPKMFGRZOED-CQFDHEJISA-N	306.293	1.281	50	20	DDGD	
Cc1nnc(CNC(=O)/C(C#N)=C/c2ccc(O)cc2)s1	491080974	FUTFIIFTDFUVBN-IZZDOVSWSA-N	300.343	1.776	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cccc2nccn12	826447203	SYQCWSFWZIKMSY-UHFFFAOYSA-N	320.316	1.271	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNc2nc(C)cc(OC)n2)cc1	492045492	UTYMQQMYKPFKTL-TWGQIWQCSA-N	314.345	1.959	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)ccc1F	825547472	NDRGXKYLTGZQCW-JQWIXIFHSA-N	309.341	1.390	50	20	DDGD	
Cc1cc(C(=O)NN(C)[C@H](C)CO)c(C)n1-c1nccs1	823977556	ZQUXMNWMUCPYDT-SNVBAGLBSA-N	308.407	1.508	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@@H]1CCc2ccccc21	822071687	XIOFBBBVJFNZNA-SNVBAGLBSA-N	301.268	1.957	50	20	DDGD	
CS(=O)(=O)c1ccc(NNC(=O)C[C@@H]2CC[C@H]3C[C@H]23)cc1	827176714	ZWJDIJXHXHRSLN-MJVIPROJSA-N	308.403	1.969	50	20	DDGD	
Cc1cc(OCC(=O)N2CC[C@H](B(O)O)C2)ccc1C(C)C	585075660	UEUGKTWFWZZQDC-ZDUSSCGKSA-N	305.183	1.573	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)COc1cccnc1	732304166	SMXTZDWDLRQTDE-UHFFFAOYSA-N	321.358	1.007	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C1CC1	490784096	WQXXRYFQQINGPN-KXXVWKPMSA-N	323.393	1.850	50	20	DDGD	
CC(C)(C)n1ncnc1CNC(=O)[C@]1(C)C[C@@H]1Br	908020688	NQNIPDXPXGVPBZ-QPUJVOFHSA-N	315.215	1.823	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNC(=O)Cc1ccccc1F	839677400	REFVIEWWNAJWTQ-NSHDSACASA-N	310.325	1.105	50	20	DDGD	
CN(NC(=O)c1cnc(NC(=O)OC(C)(C)C)cn1)C1CC1	496474920	NCTOYMADPVCLBA-UHFFFAOYSA-N	307.354	1.563	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H]1C[C@@H](OC(C)C)C1	838747440	MJAZQOFSQOHIJD-TXEJJXNPSA-N	321.377	1.595	50	20	DDGD	
CC(=O)N[C@H](CC(=O)NNc1cc(C)ncn1)c1cccs1	734253725	YYXZNNOKNOEYJP-LLVKDONJSA-N	319.390	1.557	50	20	DDGD	
CC(C)COC(=O)[C@H](C)NC(=O)[C@@]1(C)C[C@H]1Br	907166603	LEWPXHLTVCOSDS-SBMIAAHKSA-N	306.200	1.864	50	20	DDGD	
CC(C)C[C@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1	584957333	FKPGBFZNIIWVHZ-GFCCVEGCSA-N	307.174	1.404	50	20	DDGD	
OC[C@@H](CNCc1ccc(B(O)O)cc1)CC1CCCCC1	585037683	GYRJAOZYHNVGFK-MRXNPFEDSA-N	305.227	1.035	50	20	DDGD	
CC(C)(C)OC(=O)[C@@H](C(=O)NNc1cccnn1)C(C)(C)C	832045307	YSVMOHDBCUEWKZ-LLVKDONJSA-N	308.382	1.924	50	20	DDGD	
CCc1c(NCc2ccc(B(O)O)o2)cnn1CCC(C)C	585037782	JWTMJVPGNLMIRK-UHFFFAOYSA-N	305.187	1.377	50	20	DDGD	
CCCCN(C)C[C@H](C)NC(=O)NNC(=O)[C@H]1CCCCO1	836461310	BYZYMRPETTUKBA-QWHCGFSZSA-N	314.430	1.006	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCC(C)(C)C(C)(C)O)cc1	836652679	FBUGJQYXMFKZKP-UHFFFAOYSA-N	321.421	1.990	50	20	DDGD	
OB(O)c1ccc(CNCCCCOc2ccc(F)cc2)cc1	585018502	WUBLTFOLSUACER-UHFFFAOYSA-N	317.169	1.454	50	20	DDGD	
Cc1noc(OCC(=O)/C(C#N)=C2/Nc3ccccc3N2C)n1	730730948	CEQPTACJVXHWMA-UVTDQMKNSA-N	311.301	1.623	50	20	DDGD	
Cc1cnc(Cl)c(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	831711526	RUFWNWYOTDPKGG-BDAKNGLRSA-N	312.757	1.621	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCl)c1nc(Cc2ccccc2)no1	830803182	INPLEQBRWBCCEZ-SECBINFHSA-N	315.782	1.837	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2c[nH]c3ccccc23)CCCCO1	837315852	DBKGYHJTZNRDBU-MRXNPFEDSA-N	301.346	1.888	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc21)c1ccccc1F	733214540	FVIXYDGLWWHUPB-GFCCVEGCSA-N	300.289	1.763	50	20	DDGD	
COCCC1(C(=O)NNc2cc(O)nc3ncccc23)CC1	913991962	KXTXRVKSLBHQRL-UHFFFAOYSA-N	302.334	1.595	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1csc(C)c1	834932184	GEBVTTMSSJVHNH-LLVKDONJSA-N	309.435	1.865	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCCNC(C)C	832607196	SJBRIGYSPNYFAU-UHFFFAOYSA-N	300.834	1.857	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NCCC[C@@H]1CCOC1	836646027	BBOGJIXESMCJQT-CQSZACIVSA-N	319.405	1.685	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc3c(c2)OCC(=O)N3)cc1	746887011	OMGKMOJTBFRDFB-UHFFFAOYSA-N	313.313	1.783	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	916634335	FLWZNARZGSOBCV-BZPMIXESSA-N	317.455	1.336	50	20	DDGD	
CC[C@@H](C)c1nc(C)c(CC(=O)NNC(=O)C(C)C)c(C)n1	847290090	UGQIRBFEOMJQRC-SNVBAGLBSA-N	306.410	1.953	50	20	DDGD	
CC[C@@H](O)[C@H](C)C(=O)NNC(=S)Nc1cc(C)ccc1F	913821991	NZKPKWTVHULEHS-JOYOIKCWSA-N	313.398	1.859	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1cc(Br)cnc1Cl	842531739	PZHJRXXFJOGUDB-UHFFFAOYSA-N	320.574	1.719	50	20	DDGD	
CC(C)SCC(=O)NNC(=O)c1ccc(Cl)cc1O	918359019	HNMHLYYWDKXPLA-UHFFFAOYSA-N	302.783	1.948	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(C2CC2)n1	843661059	NEHSSTBQKMIIQE-ZYHUDNBSSA-N	303.362	1.453	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@H]1CCc2ncncc2C1	843750903	UADJQPPGEFIRIL-JTQLQIEISA-N	313.317	1.633	50	20	DDGD	
CN(C)[C@]1(CNC(=O)NNc2ccc(F)cc2)CCSC1	748647053	KYICGWHEBNAFAP-AWEZNQCLSA-N	312.414	1.889	50	20	DDGD	
COCCOc1ccc(C(C)=NNC(=O)c2cnccn2)cc1	915959706	IBKHAUXMODBWSM-UHFFFAOYSA-N	314.345	1.656	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NC[C@@H]1CCC[C@@H]1C1CC1	840395585	LIPSWPLFRAQIBS-LSDHHAIUSA-N	316.405	1.781	50	20	DDGD	
COC[C@H](C)NC(=O)NNc1ncnc(Cl)c1C(C)C	840241533	SZHOBWFBSNBSKJ-QMMMGPOBSA-N	301.778	1.914	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ncccn1	841355183	ZEQQZWNTQRXJTG-BDAKNGLRSA-N	316.283	1.606	50	20	DDGD	
Cc1cc(Br)cc(C(=O)NN(C)C[C@H](C)O)c1	910159834	LPWQZXHOEVANBR-VIFPVBQESA-N	301.184	1.715	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1ccc(OCC#N)cc1	842559486	UWHUSARYCGTTHX-SWLSCSKDSA-N	301.346	1.854	50	20	DDGD	
O=C(NNc1ccccc1Br)c1ccc(O)nn1	748058205	BVCXNMTWAGQWMB-UHFFFAOYSA-N	309.123	1.702	50	20	DDGD	
COC[C@@H](C)OC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])c(O)c1	748147647	IJVYQLVFLWUXGY-QQCYMQAYSA-N	306.274	1.785	50	20	DDGD	
O=C(NCCc1ccccc1[N+](=O)[O-])NNc1ccc(F)cn1	743672875	JRVYXLBYFKTVJS-UHFFFAOYSA-N	319.296	1.998	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)cc1	746886333	JGJUBGZXRQRCGE-NSHDSACASA-N	305.378	1.785	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H](CC(C)C)OC)nc1C	841415305	RTKHDFHIRNLFBA-GFCCVEGCSA-N	324.381	1.466	50	20	DDGD	
COc1ccccc1C1(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CC1	843648774	RRHINXQTGGMSMG-NWDGAFQWSA-N	318.373	1.299	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@@H](C)C(F)(F)F)cc1	844712063	OJLDAUWORNOJOE-QMMMGPOBSA-N	319.283	1.979	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)C2CCCC2)cccc1[N+](=O)[O-]	747786423	GFYYHWAQFWEBNC-UHFFFAOYSA-N	305.334	1.783	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1C(=O)C1CC1)NC1CCCCC1	843753331	PDBUQBYXWXZOJP-ZDUSSCGKSA-N	322.409	1.051	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(C(F)F)cc1F	847393180	IYLFNYFEGZBCGY-UHFFFAOYSA-N	319.283	1.744	50	20	DDGD	
O=C(NC[C@H]1CCCNC1)NNC(=O)c1cccc(Cl)c1	841925860	HVKNZUJVGAHTEZ-JTQLQIEISA-N	310.785	1.284	50	20	DDGD	
NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	847601311	OUQNNUJSUOKEHJ-SFYZADRCSA-N	312.713	1.203	50	20	DDGD	
CO[C@H]1Cc2ccc(NC(=O)NNC(=O)C3CCC3)cc2C1	752967444	ICBLLVLMDIRRMM-AWEZNQCLSA-N	303.362	1.753	50	20	DDGD	
CCOCCOCCNC(=O)NNc1cc(F)ccc1F	927540366	YBFYPPDJIWQDDN-UHFFFAOYSA-N	303.309	1.644	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cccnc1N1CCCC1	855002566	YNRQQGRYVHSYHK-UHFFFAOYSA-N	316.283	1.395	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)CN(C)c1ccccc1)C1CC1	855102807	NASNZFDNABYOSA-NSHDSACASA-N	306.435	1.417	50	20	DDGD	
Cc1cc(C)n([C@@H](C)CC(=O)NNC(=O)OCC(F)(F)F)n1	856024798	BCODJNYKQVJPNQ-VIFPVBQESA-N	322.287	1.771	50	20	DDGD	
C[C@H]1COC(C)(C)CN1C(=O)NNC(=O)c1cccc(C#N)c1	753129776	HWUDLNRQZWPWIH-NSHDSACASA-N	316.361	1.412	50	20	DDGD	
COC(=O)CCC(C)=NNC(=O)c1nnc(O)c2ccccc12	756877171	PVZTWZWAXDMAKM-UHFFFAOYSA-N	316.317	1.394	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C#N)cc1)C1CCOCC1	755881615	VTVDJGPCHOITPB-UHFFFAOYSA-N	301.346	1.856	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)c2cc[nH]n2)c(O)c1	855356477	MYXMISUHQZMGKK-UHFFFAOYSA-N	318.333	1.369	50	20	DDGD	
COCCCNC(=O)NN=C(C)CN1Cc2ccccc2C1=O	754943885	SWZLOYSVIWAGRF-UHFFFAOYSA-N	318.377	1.354	50	20	DDGD	
Cn1cc2c(n1)CCCC2=NNC(=O)c1cccc(C(=O)O)c1	853425589	HIPFEODIRMLOED-UHFFFAOYSA-N	312.329	1.589	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cc(O)cc(C#N)c1)C1CC1	855099858	PKXGXINFSBCPJR-QMMMGPOBSA-N	304.375	1.171	50	20	DDGD	
C[C@@H]1OCC[C@H]1SCC(=O)NNC(=O)c1cccc(C#N)c1	754720479	QXTUIHZWMZHFFC-GXFFZTMASA-N	319.386	1.230	50	20	DDGD	
CC(=O)N1CC[C@@H](NC(=O)NNc2c(F)cccc2Cl)C1	856970360	GHQVQGDFAFPZHL-SECBINFHSA-N	314.748	1.726	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc2[nH]c3c(c2c1)CN(C)CC3	854409687	KTMVQGTWSGIOIL-UHFFFAOYSA-N	316.361	1.499	50	20	DDGD	
CNC(=O)NNC(=O)[C@H](CCC(C)C)NC(=O)OC(C)(C)C	858748188	PLYVCYPAXBSXGZ-JTQLQIEISA-N	316.402	1.276	50	20	DDGD	
C[S@@](=O)C1(CNC(=O)NNc2ncc(Cl)cn2)CCC1	856894311	FSYQTEPWIDYPDL-HXUWFJFHSA-N	317.802	1.057	50	20	DDGD	
CC[C@H](CC(=O)NN(C)C(=S)NCCCOC)C(C)C	854281001	MOQXOJINFPOJBU-GFCCVEGCSA-N	303.472	1.933	50	20	DDGD	
COC(=O)c1oc(C=NNC(=O)Cc2nc(C)cs2)cc1C	853284133	QXRCDVKEEREIID-UHFFFAOYSA-N	321.358	1.832	50	20	DDGD	
COc1coc(C(=O)NC[C@@]2(C)C[C@H]2Br)cc1=O	857387532	JLOKYMBUVKYLJY-ZYHUDNBSSA-N	316.151	1.552	50	20	DDGD	
O=C(NC[C@@H]1CCN(C2CC2)C1)NNc1ncc(Cl)cn1	856840979	YOVJFGNORGRQHH-VIFPVBQESA-N	310.789	1.240	50	20	DDGD	
O=C1Nc2ccccc2C[C@H]1NS(=O)(=O)CCCCCl	859340175	NTVIJHWERDZCRR-GFCCVEGCSA-N	316.810	1.488	50	20	DDGD	
COC(=O)C1(CNC(=O)NC[C@@]2(C)C[C@@H]2Br)CC1	856849959	UGDCTBNYYZLIEZ-GZMMTYOYSA-N	319.199	1.412	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	755050468	ZRBYTGXFJUZIIK-WDEREUQCSA-N	312.341	1.413	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)OCC(F)(F)F)c1	856027112	ZSSLJLAMPYWNLZ-UHFFFAOYSA-N	306.240	1.694	50	20	DDGD	
Cc1nn(C)c(Cl)c1/C=C(/C#N)C(=O)Nc1ccn(C)n1	759085547	GDOVLEJYNHPYQR-TWGQIWQCSA-N	304.741	1.661	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]12	761787296	PXWBYVLZNRSWEJ-IWSPIJDZSA-N	309.288	1.227	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@]12CCOC2)c1ccc(Cl)cc1O	763748046	VCXTUKBNPZAPJO-QMTHXVAHSA-N	310.737	1.233	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C\c1cn(C[C@@H]2CCCO2)nn1	865216562	GYTHFZVVPIBJAL-ZDWRTJATSA-N	303.366	1.136	50	20	DDGD	
C=CCOc1cc(OC)ccc1C(=O)NNC(=O)NC1CC1	767321889	KCWMIBKMPNYVFU-UHFFFAOYSA-N	305.334	1.366	50	20	DDGD	
CN(CC(=O)NNc1ccc(C(F)(F)F)nn1)C1CCC1	863900171	IYBYUSHINPELRY-UHFFFAOYSA-N	303.288	1.423	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccccc2OC)ccc1F	763377268	XBKHJGGGPSFSSQ-UHFFFAOYSA-N	318.304	1.918	50	20	DDGD	
Cc1cccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1Cl	860720310	XFILQMPRRIDAKK-SECBINFHSA-N	310.741	1.080	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)CNC(=O)C(C)(C)C	862285429	PJGMAOUKGMRCSO-UHFFFAOYSA-N	321.377	1.449	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1c(C)oc2ccccc12	767246871	CBDCAWCSXSISLT-UHFFFAOYSA-N	319.361	1.651	50	20	DDGD	
CCc1cccnc1C(=O)NNC(=O)Cc1ccccc1OC	766403438	KHBCYFZMUSVEMJ-UHFFFAOYSA-N	313.357	1.656	50	20	DDGD	
Cc1nnc(-c2ccccc2C(=O)NNC(=O)NCC2CC2)o1	765120531	IIDWDZDOQKBJCD-UHFFFAOYSA-N	315.333	1.399	50	20	DDGD	
CN1C[C@@H](C(=O)NNc2nc3ccccc3[nH]c2=S)CC1=O	862291464	JVECZKMDBJFQHO-QMMMGPOBSA-N	317.374	1.214	50	20	DDGD	
CC(C)O[C@@H](C=NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1	863149513	BDJGTGYFAYWNIE-KGLIPLIRSA-N	303.362	1.533	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2cc(C)sn2)c1	769865666	NTRWBUNEAXYADY-UHFFFAOYSA-N	320.374	1.333	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2cccnc2N(C)C)n1	1117482478	AZZIUDIJQWOPMJ-UHFFFAOYSA-N	303.391	1.605	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)CC1(O)CCCC1	766661445	CEANJMZFDMIJHC-UHFFFAOYSA-N	312.391	1.228	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2CCCC2)c(F)c1	764065813	CAVJKHAJOHDMTA-UHFFFAOYSA-N	307.325	1.410	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)CCc2ccccc2O)nn1C	1116530923	SCPAPGVGCIUBQQ-UHFFFAOYSA-N	316.361	1.082	50	20	DDGD	
CN(CCOCCN)C(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	877056084	IIMHXETXMGITIB-DMDPSCGWSA-N	319.243	1.374	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@](C)(O)C2CCC2)c1	874952061	LLPYTWSIRMZGIO-MRXNPFEDSA-N	317.414	1.537	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H](C)c2nc(C)no2)cc1	1115948534	BYPLUBHSQWVFJV-MRVPVSSYSA-N	319.321	1.092	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CC[C@H](O)[C@@H]3CCCC[C@@H]32)cn1	871196224	FZEQFEKFBKHYKS-HQFYMVGQSA-N	314.389	1.479	50	20	DDGD	
CO[C@@]1(C(=O)NNC(=O)c2ccccc2Cl)CCSC1	1119515604	IEEYYZQCKDRPNJ-ZDUSSCGKSA-N	314.794	1.623	50	20	DDGD	
COC(=O)COCCNC(=O)NNc1cccc(F)c1Cl	875847074	HYABKBZLKQLSNG-UHFFFAOYSA-N	319.720	1.295	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccc(N(C)C)cc1C(F)(F)F	1116874284	VJJHGOWSCHXVTJ-UHFFFAOYSA-N	317.267	1.395	50	20	DDGD	
CCN(CC(=O)NNC(=S)Nc1cccc(C)c1)C1CC1	873776390	YVMRIDPWKVCIMS-UHFFFAOYSA-N	306.435	1.797	50	20	DDGD	
COc1ccc(NNC(=O)c2ccnc(OC)c2)c([N+](=O)[O-])c1	1116301728	LITSGMGRRAGUCZ-UHFFFAOYSA-N	318.289	1.764	50	20	DDGD	
N[C@@H]1CCC[C@@H](NC(=O)NNC(=O)c2ccccc2Cl)C1	1119379884	MZOWGGZACUVWDG-NXEZZACHSA-N	310.785	1.554	50	20	DDGD	
COCCOc1ccc(NC(=O)NN(C)CCOC)c(C)c1	878329391	YDIILUNKZMBCQO-UHFFFAOYSA-N	311.382	1.635	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1csc(-c2cccs2)n1	779824057	YWTRRPSVGDTDQS-UHFFFAOYSA-N	324.387	1.678	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C(C)(C)c2cccnc2)n1	778306357	XCMWQUNSZRRQAF-UHFFFAOYSA-N	301.350	1.610	50	20	DDGD	
COCCCCC(=O)NNC(=S)Nc1ccccc1OC	873768192	XWJFXFKKPNJCJC-UHFFFAOYSA-N	311.407	1.830	50	20	DDGD	
COc1ccc(CCCCC(=O)NNC(=O)C2CC2)cc1OC	877942076	UYIYHYNFNOODQO-UHFFFAOYSA-N	320.389	1.974	50	20	DDGD	
CC(=NNC(=O)Cc1nc(C)cs1)c1ccc(C(=O)O)o1	773031666	BDLHNBHPVJMCRV-UHFFFAOYSA-N	307.331	1.826	50	20	DDGD	
O=C(NNc1ccccn1)[C@H]1CCN(c2ccc(F)cc2)C1=O	777473308	BRODLUUJCOJIKM-CYBMUJFWSA-N	314.320	1.717	50	20	DDGD	
Cc1ccc(F)cc1C=NNC(=O)c1ccc(-n2cnnn2)cc1	777878096	WJVFWYRZMYEKAL-UHFFFAOYSA-N	324.319	1.874	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCCOC[C@@H]1C	773006020	WGVXMNBJBKTZRP-NSHDSACASA-N	307.350	1.160	50	20	DDGD	
Cc1ccccc1[C@@H](CO)N(C)S(=O)(=O)CCCCl	885517758	BXPLSHIKKLFMKN-CYBMUJFWSA-N	305.827	1.919	50	20	DDGD	
CC(C)Oc1ccccc1C(=O)NNC(=O)C1CCOCC1	883063243	IUVRTDQFPZIOQX-UHFFFAOYSA-N	306.362	1.661	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NC[C@@H](Oc1ccccc1)C(=O)OC	887272430	NFBLVWWFQKMWHJ-GAJOTYCWSA-N	318.329	1.167	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)[C@H]1COCCN1CC(F)F	885142467	BWRRJRHHTVAZAW-LLVKDONJSA-N	321.274	1.374	50	20	DDGD	
O=C(NC[C@@H]1CCCCC1(F)F)NNC(=O)C1CCOCC1	883670203	CAZYEGONBPUUHT-NSHDSACASA-N	319.352	1.569	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)Cn2ccc3ccccc32)CO1	784091987	SVROXNXLHIGMEV-DGCLKSJQSA-N	301.346	1.214	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(C2CC2)cc1)C1CCOCC1	882804471	IOCCIKIYTGKQMV-UHFFFAOYSA-N	324.402	1.300	50	20	DDGD	
O=C(NCC1CC1)[C@H]1CCCN(S(=O)(=O)CCCCl)C1	881793985	LBFGPTZKJKMPQH-LBPRGKRZSA-N	322.858	1.183	50	20	DDGD	
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)/C(C#N)=C/C1CC1	786681934	YTFRVKPZNIFHIB-MPHIKFLASA-N	303.362	1.833	50	20	DDGD	
C[C@@H]1Cc2ccccc2N1CCNS(=O)(=O)CCCCl	881825363	FVPRDDGJRPDCES-GFCCVEGCSA-N	316.854	1.986	50	20	DDGD	
COc1ccc(NNC(=O)NCCCCn2ccnc2)nc1	780974581	SCEFWXQQNSRYTL-UHFFFAOYSA-N	304.354	1.393	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H](C(C)C)C2)cc1O	899944696	UCGZNJRSAOBAKR-UKRRQHHQSA-N	320.389	1.913	50	20	DDGD	
N#CCN(C(=O)COC(=O)/C(C#N)=C\C1CC1)c1ccccc1	786680767	MUOVVRAVYHBJND-UVTDQMKNSA-N	309.325	1.946	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cc(O)nc(C2CC2)c1	781831236	AVOWEWVFZXZAGR-UHFFFAOYSA-N	305.725	1.865	50	20	DDGD	
CCC[C@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)c1nn[nH]n1	787412550	BKBGGPJMKIDGHT-YKWSONSWSA-N	312.333	1.470	50	20	DDGD	
CO[C@@]1(C(=O)NNC(=O)Cc2ccc(F)cc2)CCSC1	895508822	MKWXAPSYJGPIFK-AWEZNQCLSA-N	312.366	1.038	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2CCN(CC3CC3)C2)n1	780016817	SIAWXTZXNUHCPD-GFCCVEGCSA-N	305.382	1.201	50	20	DDGD	
CC(=NNC(=O)Cn1nnc(-c2ccccc2)n1)[C@H]1CCCO1	783793585	WUPXMYOODWRDRZ-CYBMUJFWSA-N	314.349	1.011	50	20	DDGD	
C[C@H]1CCCC[C@@H]1OCC(=O)NNC(=S)NC(C)(C)C	899995051	FGPOOANWNIFONI-QWRGUYRKSA-N	301.456	1.876	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NNC(=O)C1CC1	792790141	SHRWNOAPGPGBBO-JTQLQIEISA-N	311.382	1.189	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1nc(SC)n2ccccc12	798305199	VHTPWRWOPGLGTC-UHFFFAOYSA-N	321.431	1.351	50	20	DDGD	
CC[C@H](C)CC(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	791496863	FRXKVIYSPXHTHW-NSHDSACASA-N	306.362	1.735	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)c2c[nH]c3ccccc23)cnn1C	794212899	WCUMXUDUMYCZKN-UHFFFAOYSA-N	311.345	1.214	50	20	DDGD	
CSSCCNC(=O)CCNC(=O)c1cccs1	791100373	QAQSKFATJDVWJU-UHFFFAOYSA-N	304.462	1.995	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cnn(C(C)C)c1	793080018	HUIQASJBVCSIAU-UHFFFAOYSA-N	302.425	1.530	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C(=O)Nc2cncc(F)c2)c1	799263688	YWZMUYWFRGUODJ-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
NC(=O)C(=O)NN=CC(Cc1ccccc1)Cc1ccccc1	799103730	FMXRIWAZQIPTIW-UHFFFAOYSA-N	309.369	1.675	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@@H](O)c2ccsc2)n1	793226626	LWYQXUCSJBUEQW-GFCCVEGCSA-N	320.374	1.129	50	20	DDGD	
NC(=O)C(=O)NN=C1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1	799465244	AVJRWTVGTTUSBF-SECBINFHSA-N	313.279	1.930	50	20	DDGD	
CC(CCc1ccc(F)cc1F)=NNC(=O)C(=O)NC1CC1	794887487	VUCYWPRYJRMEHH-UHFFFAOYSA-N	309.316	1.668	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)SCCC(=O)OC(C)(C)C	799307918	WHWGEZAWNQFUIQ-VIFPVBQESA-N	304.412	1.397	50	20	DDGD	
CN1CC[C@@H](N(C)S(=O)(=O)c2ccc(CCl)cc2)C1=O	708525492	VUQNDFBVABFIBL-GFCCVEGCSA-N	316.810	1.277	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc3nc(O)[nH]c3c2)n1	794075854	BMTRQSFQHATZSO-UHFFFAOYSA-N	311.301	1.047	50	20	DDGD	
O=C(NN=Cc1csc([N+](=O)[O-])c1)c1ccc(O)c(O)c1	794558367	ROSSZTGRCUAVBU-UHFFFAOYSA-N	307.287	1.831	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H](O)c1cccnc1	798311320	OSRTWBSCUJEAGP-CYBMUJFWSA-N	300.318	1.276	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCSC(C)(C)CC2)n1	793231334	MJQVGAINCBQNLQ-UHFFFAOYSA-N	322.434	1.962	50	20	DDGD	
Cc1noc(-c2ccc(C(=O)NNC(=O)CC(C)C)cc2)n1	1317782389	NJZVANFXKRJNPY-UHFFFAOYSA-N	302.334	1.852	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(O)cc2O)nc1	1319949819	MVYUHZOPVZLPGR-UHFFFAOYSA-N	303.274	1.036	50	20	DDGD	
Cc1noc(C2CC2)c1NC(=O)C(=O)NNc1ccnc(F)c1	1324362445	PNHRDPAZKCGMEP-UHFFFAOYSA-N	319.296	1.476	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cncn2-c2ccccc2)ccn1	1322298898	QTDFVUNSQAAPTG-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
CC(C)c1[nH]ccc1C(=O)NNc1nc(O)c2cnn(C)c2n1	1323561023	RCQDUNBKFIFJJO-UHFFFAOYSA-N	315.337	1.277	50	20	DDGD	
CN(C)Cc1cc(C(=O)NNc2cc(F)c(F)cc2F)no1	1320840839	WYBRZAVHQBIHIQ-UHFFFAOYSA-N	314.267	1.910	50	20	DDGD	
C[C@@H]1CN(c2nnnn2C[C@]2(C)C[C@H]2Br)C[C@H]1C	1334617951	UMVGTNFWPXKGGX-BFLSOPEQSA-N	314.231	1.939	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)C1CCNCC1)c1ccccc1	1330480210	XFQMBZPCNUUCHO-UHFFFAOYSA-N	318.421	1.294	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(C(C)(C)C)nn1)c1cnn(C)c1	1339625059	SWZJFEOWKGYWLA-JTQLQIEISA-N	317.397	1.895	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1CCNC(=O)NNC(=O)C1CCNCC1	1261375284	KPCUKSKXKXMHHQ-CHWSQXEVSA-N	310.442	1.533	50	20	DDGD	
CC(C)(C(=O)NNC(=O)C1CC1)[C@@H]1CCC[C@H](C(F)(F)F)N1	1348423334	AXHXNQNTFOERMO-VHSXEESVSA-N	321.343	1.643	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NC[C@H]1CCCCCN1	1353514886	QCMPGIFLLWAEPL-OAHLLOKOSA-N	318.421	1.400	50	20	DDGD	
CC(=O)NC1CCC(C(=O)NNc2ncncc2Cl)CC1	1519931438	REVXTDCZSDRKLZ-UHFFFAOYSA-N	311.773	1.268	50	20	DDGD	
CC[C@H](C)n1nccc1C(=O)NNC(=O)c1cccc(Cl)n1	1528610451	CGDOYOFNSUIEAU-VIFPVBQESA-N	321.768	1.977	50	20	DDGD	
Cc1c[nH]cc(C(=O)NNc2ccc(F)c(C(=O)O)c2)c1=O	1607909237	GXTMFWCXNCZQBW-UHFFFAOYSA-N	305.265	1.278	50	20	DDGD	
CC1=C(C(=O)NNc2ccc(C(=O)O)cn2)CCN1C(C)C	1604607967	QONIDBCQTNSANI-UHFFFAOYSA-N	304.350	1.611	50	20	DDGD	
O=C(NCC[C@@H]1CCOC1)NNc1ccc(C(=O)O)cc1F	1601492298	MVVZJEPAUIPVGD-SECBINFHSA-N	311.313	1.577	50	20	DDGD	
C[C@]1(C(=O)NN=Cc2ccc(-c3nn[nH]n3)c(F)c2)CCCO1	1603748691	UXSGLISXNDNAON-CQSZACIVSA-N	318.312	1.025	50	20	DDGD	
C[C@@]1(CNC(=O)C23CC(C(=O)O)(C2)C3)C[C@H]1Br	1604575409	KSIDUGYGFKUJJK-JENKOEBGSA-N	302.168	1.531	50	20	DDGD	
Cn1nc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)cc1C(=O)O	1608148469	MHORHYZHKPMECI-POHAHGRESA-N	314.276	1.803	50	20	DDGD	
Cc1cnc(COCC(=O)NNc2ccccc2C(=O)O)o1	1600621520	CFKATNRZMPVTEY-UHFFFAOYSA-N	305.290	1.341	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1cc2n(n1)CCCO2	1608482844	NKZVPZUZJTUJDK-UHFFFAOYSA-N	302.290	1.121	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2ccccc2C(=O)O)n1	1605164560	XGKOQWJGWRAVJQ-UHFFFAOYSA-N	315.333	1.618	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)c1cnn2c1OCCC2	1608948573	LELMRARNFVBZBF-UHFFFAOYSA-N	302.290	1.121	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)C(=O)c1cccn1C	1607140099	MDXGHTMVMXDYDX-UHFFFAOYSA-N	317.301	1.058	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NC[C@H]1CCO[C@H]1C(=O)O	1601045224	JHNWNDIJLUXQGX-CEDDKSNKSA-N	318.304	1.339	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1	1602127207	JOEXSBUGTRABDC-UHTWSYAYSA-N	302.330	1.372	50	20	DDGD	
O=C(O)[C@@]1(C(=O)NNc2ncccc2[N+](=O)[O-])C[C@H]2CC[C@H]1C2	1605935534	NCGMDWQEGMIXMW-FZNYLWTLSA-N	320.305	1.324	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H](C(=O)O)C1CC1)c1ccccc1	1603488656	OWQWOJXRQFPBEK-QWHCGFSZSA-N	304.346	1.438	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CC=C(C(=O)O)C2)cc1F	1600341100	MUXCWQWHHVKXFL-LLVKDONJSA-N	321.308	1.252	50	20	DDGD	
O=C(NNc1cc(F)cc(Cl)c1)N[C@H]1C[C@H](C(=O)O)C1	1601554118	KXFBYXOASPRHBP-JOTVFPGJSA-N	301.705	1.968	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1c[nH]c(C(=O)O)c1	1610531388	ZLCJFXFOFBMPEY-UHFFFAOYSA-N	301.302	1.025	50	20	DDGD	
O=C(NN=Cc1ccc2ccccc2n1)[C@H]1CN2CCC[C@H]2CO1	1549318704	QUIFDZWJSUXENA-DOTOQJQBSA-N	324.384	1.548	50	20	DDGD	
O=C(O)C(=O)NN=C1CCCc2ccc(Br)cc21	1610714135	IIFAQSCRCMJWAC-UHFFFAOYSA-N	311.135	1.690	50	20	DDGD	
Cc1[nH]c(C(=O)O)c(C)c1C(=O)NNC(=O)c1ccccc1F	1610403237	AFCVIPIDMGVNQI-UHFFFAOYSA-N	319.292	1.544	50	20	DDGD	
CC(C)Cc1ccc(C(=O)NNC(=O)[C@H]2CCCNC2)cc1	1575648115	GASBCPLQHFLBQZ-HNNXBMFYSA-N	303.406	1.646	50	20	DDGD	
COCCN(CC(C)C)NC(=O)[C@@]1(C(=O)O)C[C@H]2CC[C@H]1C2	1574153878	YUSZZHJIELGPBL-HEHGZKQESA-N	312.410	1.513	50	20	DDGD	
CC[C@H]1NCC[C@H]1C(=O)NNC(=O)COc1ccc(C)c(C)c1	1577309653	YMEXNZZVZQJXHY-HUUCEWRRSA-N	319.405	1.218	50	20	DDGD	
O=C(C1=CCCS1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](F)Cl	1847846029	KBOZCPRWQHPATJ-QXEWZRGKSA-N	318.801	1.743	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NN=C1CC[C@@H](C(=O)O)C1	1593651040	GLXFKZSEFBXZDH-NXEZZACHSA-N	308.309	1.950	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cncn1C)C2	1845163910	ABVRLFQGDSVJBQ-LLVKDONJSA-N	324.812	1.255	50	20	DDGD	
C[C@]1(CNC(=O)NNc2cccc(C(=O)O)c2)CCCCO1	1594020439	MQOOPJCYAXXAPN-OAHLLOKOSA-N	307.350	1.970	50	20	DDGD	
Cn1c(=NNC(=O)[C@@H](C(=O)O)C(C)(C)C)sc2ccccc21	1594515596	LMKIPDGGROZEMZ-NSHDSACASA-N	321.402	1.919	50	20	DDGD	
Cc1c(C(=O)O)cc(C=NNC(=O)Cc2ccc(F)cc2)n1C	1599984516	OFJXKUJIDWAZHC-UHFFFAOYSA-N	317.320	1.864	50	20	DDGD	
O=C(CC(F)(F)F)NN=C1CCc2ccc(-c3nn[nH]n3)cc21	1592804716	FRBKVXZJIUNCGF-UHFFFAOYSA-N	324.266	1.586	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccc(C(=O)O)s1	1599738439	GWRRYVFYCKNMJR-UHFFFAOYSA-N	309.307	1.394	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C/c1cnc2ccc(C(=O)O)cn12	1776118089	RIOMOVPUYPAQLR-XCVCLJGOSA-N	304.269	1.199	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)C3CC3)CCO2)C1	1781224716	ZMHNASDYQQTRDH-IUODEOHRSA-N	314.813	1.244	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2cn3ccccc3n2)nc1	153233816	ALQLVCLWKIEIKX-UHFFFAOYSA-N	309.329	1.041	50	20	DDGD	
Cc1nc(CC(=O)NNC(=O)c2ccc(Cl)nc2)c(C)s1	153275078	IESFIYUZNXXNPD-UHFFFAOYSA-N	324.793	1.812	50	20	DDGD	
CSCCNC(=S)NNC(=O)Cc1ccc(F)cc1	154049855	ZYQBWRUMUIRIJA-UHFFFAOYSA-N	301.412	1.227	50	20	DDGD	
COCCC1(C(=O)NNC(=O)COc2cccc(C)c2)CC1	156727241	VXVSVNQVRGCTKS-UHFFFAOYSA-N	306.362	1.338	50	20	DDGD	
O=S(=O)(c1ccc(CCl)cc1)N1CC2(CCOC2)C1	915940738	WREQHCJBKXPXJP-UHFFFAOYSA-N	301.795	1.836	50	20	DDGD	
CC(CCCCN1C(=O)c2ccccc2C1=O)=NNC(N)=O	769766862	SVLVCWBAEOHMQJ-UHFFFAOYSA-N	302.334	1.497	50	20	DDGD	
CCc1ccc(OCC(=O)NNC(=O)c2cccc(C#N)c2)cc1	7639924	WCMBUSJYIGJNCD-UHFFFAOYSA-N	323.352	1.961	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cn1ccc2ccccc21)C1CC1	105361989	IPZZTIOYFSKCIW-NSHDSACASA-N	316.430	1.935	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1CC1(Cl)Cl	109144807	CALCHQKHJUQUEE-QMMMGPOBSA-N	303.145	1.650	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(OCC2CC2)cc1	109858091	MSLDEPRVDDWIAX-UHFFFAOYSA-N	314.345	1.582	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@H](c1ccccc1)C1CC1	179685817	JSVWEQUADARLDS-CQSZACIVSA-N	303.362	1.253	50	20	DDGD	
COc1ccc(Cl)cc1C(=O)NNC(=O)Cc1cccnc1	103425346	UJQPXGNLHRWURT-UHFFFAOYSA-N	319.748	1.747	50	20	DDGD	
CS[C@@H]1CCC[C@H](NC(=O)NNC(=O)c2cnn(C)c2)C1	118077699	NEBWJWCFXDYGOK-WDEREUQCSA-N	311.411	1.038	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1ccncc1)c1cccc(O)c1	176355923	BQYPENXFHUTWEX-NSHDSACASA-N	314.345	1.421	50	20	DDGD	
CC[C@@H](Oc1ccccc1F)C(=O)NNc1nccc(OC)n1	175258463	CLAVTLIWSPPBPG-LLVKDONJSA-N	320.324	1.925	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)Cn1ccc2ccccc21	176265311	SWPIPFHMDBRUKX-UHFFFAOYSA-N	308.341	1.806	50	20	DDGD	
CCO[C@H](C)C(=O)NNC(=O)c1cccc(Br)c1	174536449	VQILLWSFBFMWRF-MRVPVSSYSA-N	315.167	1.635	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2cn3ccccc3n2)c(C)o1	68374327	JKWHJRMCZHEHKL-UHFFFAOYSA-N	312.329	1.548	50	20	DDGD	
CC[C@@H]1CN(CC(=O)NNC(=O)c2cccs2)C[C@H](C)O1	111273949	VGUYORYEOHFBMJ-WDEREUQCSA-N	311.407	1.008	50	20	DDGD	
Cn1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2F)cc1=O	175816614	HELDFYQGNPLNHW-UHFFFAOYSA-N	323.711	1.253	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cc2nc(C)sc2C)nc1	179783244	WEGMBJBAHLOIQK-UHFFFAOYSA-N	320.374	1.627	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@H]2CC[C@@H](OC)C2)cc1	1261507661	GOIWFNPOSVFKKP-UONOGXRCSA-N	321.377	1.596	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1	31223685	RUYNZJWVQUOIKE-UHFFFAOYSA-N	319.277	1.171	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)c1cccc(N(C)C)c1	127052251	RIJXWRMAGYPMPV-UHFFFAOYSA-N	301.350	1.044	50	20	DDGD	
O=C(NCCc1ccc2c(c1)OCO2)NNc1ccccn1	127895536	JGRUBKXGTKEBCK-UHFFFAOYSA-N	300.318	1.679	50	20	DDGD	
COc1ccc(CNC(=O)NNc2ccc(Cl)nn2)cn1	121831322	NOPMJYASMPARLE-UHFFFAOYSA-N	308.729	1.360	50	20	DDGD	
COC1(C(=O)NNC(=O)Cc2ccc(F)cc2)CCCCC1	184881449	ZZDLYDSMSKDAKH-UHFFFAOYSA-N	308.353	1.865	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNc1cccnn1)c1ccc(F)cc1	76979471	BRSJKYMTJSQSSB-ZDUSSCGKSA-N	318.356	1.545	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)c2ccc[nH]2)c(C)c1	125133385	OLFAREZZNMRKTO-UHFFFAOYSA-N	300.362	1.818	50	20	DDGD	
Cc1cn2c(=O)c(C(=O)NNc3ccccn3)cnc2s1	181214660	WAYZKKLIZMAGOP-UHFFFAOYSA-N	301.331	1.216	50	20	DDGD	
C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NN(C)C(N)=O	188678707	XUWIGYNMLLWZPE-ZETCQYMHSA-N	305.256	1.514	50	20	DDGD	
Cn1c(NNC(=O)CC2CCCC2)nc2ccccc2c1=O	70905174	QFXITRXIBZRDQB-UHFFFAOYSA-N	300.362	1.957	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCN(C2CCOCC2)CC1	154532373	MILMNVHAGWLGOX-UHFFFAOYSA-N	324.874	1.132	50	20	DDGD	
CC(=O)Nc1ccc(NC(=O)C(=O)NNc2ccccc2)cc1	181276112	CBJKUFMJQWCRGP-UHFFFAOYSA-N	312.329	1.727	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccon2)c1C	183492029	NDUOYZOMERBZOX-NSHDSACASA-N	318.333	1.912	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2ccc(F)cc2F)nc1	124277796	JXBPCVHSGCKJIQ-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H]2SCCc3ccccc32)n1	79503561	HBAYPOBOEFNDQQ-ZDUSSCGKSA-N	316.386	1.959	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)c2ccc(C)o2)cc1OC	78259736	FQMGYYGTSAIYSI-UHFFFAOYSA-N	318.329	1.609	50	20	DDGD	
CCn1nc(C)c(NC(=O)NNC(=O)c2cccnc2)c1C	183654019	SQTCPZPTMQZMNP-UHFFFAOYSA-N	302.338	1.381	50	20	DDGD	
CN(NC(=O)CCOc1ccc(Cl)cc1Cl)C(N)=O	182654838	CEKYJPOVVOSTDO-UHFFFAOYSA-N	306.149	1.804	50	20	DDGD	
CCN1CCN(CCC(=O)NNc2c(C)cccc2F)CC1	184294320	XZLVXSDPERUQOP-UHFFFAOYSA-N	308.401	1.605	50	20	DDGD	
C[C@@H](C[S@@](C)=O)NC(=O)NNc1cc(F)c(F)cc1F	182596925	UYTUROZNFNNSFN-SXPOAWKSSA-N	309.313	1.497	50	20	DDGD	
Cc1nn(C(C)(C)C)cc1C(=O)NNC(=O)Cc1cccnc1	184250460	IABSMVSYZFAQMV-UHFFFAOYSA-N	315.377	1.345	50	20	DDGD	
CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NNc1ccncc1	180538194	MYINYYYDPDEDGQ-HQAMWZJRSA-N	320.418	1.783	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@H]1CCOc2ccccc21	81026647	ODNHIJBDKLZDHM-AWEZNQCLSA-N	311.341	1.338	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2ccc(F)c(F)c2F)c1	190041068	YMJXIVAXXDPORG-UHFFFAOYSA-N	324.262	1.889	50	20	DDGD	
O=C(NNc1ccc(F)cc1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O	192785237	YDRHTYFBCGVNSX-UWVGGRQHSA-N	319.258	1.726	50	20	DDGD	
COCC(=O)NNC(=O)CCCOc1ccc(Cl)cc1C	47871609	XFQVCXVGUQIYKC-UHFFFAOYSA-N	314.769	1.601	50	20	DDGD	
COC(=O)NNC(=O)Nc1c(C)nn(-c2ccccc2)c1C	192749162	LAHWDIICTHEVKR-UHFFFAOYSA-N	303.322	1.882	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccccc2F)c(O)c1	80387687	YEIMDIXBVFVPEW-UHFFFAOYSA-N	302.305	1.843	50	20	DDGD	
Cc1[nH]c2ccccc2c1CC(=O)NNC(=O)N1CCOCC1	194899108	GNVKEHPBBJJDBJ-UHFFFAOYSA-N	316.361	1.092	50	20	DDGD	
CC(C)OC(=O)[C@@H](C)CNC(=O)NNc1cncc(Cl)n1	266772567	IWJWYXACECFLQD-QMMMGPOBSA-N	315.761	1.344	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2noc3c2CCCC3)n1	266953882	SKBJCJMPYFWTQE-UHFFFAOYSA-N	303.322	1.417	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@@H]1CCO[C@H]1c1ccccc1	267105385	XNOKKMDBVFZGTC-KGLIPLIRSA-N	303.362	1.647	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)[C@@H]1Cc2ccccc2O1	367752756	QHTJPQXJTNDCAD-ZDUSSCGKSA-N	322.328	1.109	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(C(=O)OC)cc1OC	275528092	QCQKXLXEEJEPME-PKNBQFBNSA-N	304.302	1.864	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccnn1Cc1ccccn1	273395337	FLHRADBZPZWTJG-UHFFFAOYSA-N	314.349	1.279	50	20	DDGD	
O=C1CCSc2ccc(C(=O)NNc3cnccn3)cc2N1	363179312	IUACAUTVAIBPBD-UHFFFAOYSA-N	315.358	1.668	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccc(NC(=O)C2CC2)cc1	273321337	KVYMLBBKKDFJRN-UHFFFAOYSA-N	316.361	1.988	50	20	DDGD	
CCOCc1cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)CC)c1	274083737	ROQRPURREJZHLU-NSHDSACASA-N	321.377	1.355	50	20	DDGD	
CSSCCNC(=O)N1C[C@H](C)O[C@@]2(CCOC2)C1	375115147	TWRNBOVBZKCENL-JQWIXIFHSA-N	306.453	1.587	50	20	DDGD	
COc1cccc(NNC(=O)[C@@]2(O)CCc3ccccc3C2)n1	376145044	RGGLGNAIWUTMPA-QGZVFWFLSA-N	313.357	1.453	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1	276656155	ZQIYAOJAUWZTSM-GFCCVEGCSA-N	324.377	1.391	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)nc(C)n1	275528839	LRMGEQVEOPLOQZ-GXTWGEPZSA-N	316.365	1.048	50	20	DDGD	
O=C(NNC(=O)C1CC1)C(=O)Nc1ccc(C2CCC2)cc1	280416871	ZOLQBYOCOAUSNY-UHFFFAOYSA-N	301.346	1.450	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)c2ccc[nH]2)CCO[C@@H]1C1CC1	375111093	NXMJARDEHHKOPH-IUODEOHRSA-N	306.366	1.164	50	20	DDGD	
CC[C@@H](C)CCC(=O)NNC(=O)COc1ccc(C#N)cc1	285110284	MRPLBMFQBVHADU-GFCCVEGCSA-N	303.362	1.911	50	20	DDGD	
COc1nnccc1NC(=O)c1c(C)nn(CCCl)c1C	288942498	ODFCWQIDSBJGGK-UHFFFAOYSA-N	309.757	1.790	50	20	DDGD	
CCc1c(C(=O)NN(C)C(=O)OC)cnn1Cc1ccccc1	286437049	RKTLTQAIVDDUOO-UHFFFAOYSA-N	316.361	1.837	50	20	DDGD	
Cc1c(NNC(=O)C(C)(C)N2CCOCC2)cccc1[N+](=O)[O-]	283075433	DIXQBUWRYPZYHR-UHFFFAOYSA-N	322.365	1.457	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H]1C(=O)NNc1nccnc1C1CCC1	287215752	OEPGDIYPKOVBSU-QWRGUYRKSA-N	304.350	1.386	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCCn1ccnc1C	299631540	LIHQKYLWTAKSCQ-UHFFFAOYSA-N	316.365	1.536	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNC(=O)NC2CCCCC2)n1	298642653	FJTQVRGICWOBGQ-UHFFFAOYSA-N	320.349	1.145	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1ccc(-c2ccccc2)[nH]1	802030800	SAHSZJAZINTRFZ-UHFFFAOYSA-N	321.340	1.965	50	20	DDGD	
C=C(CBr)COC(=O)C(C)(C)N1CCOCC1	805556051	WORYBTUMQKDTPN-UHFFFAOYSA-N	306.200	1.592	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CCC(=O)NN(C)c1ccccc1	299254684	CINBFYSGXLXRHX-UHFFFAOYSA-N	303.322	1.657	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cc(C)sn2)cc1	802054330	JFVUFYZXKLGUDO-UHFFFAOYSA-N	306.347	1.927	50	20	DDGD	
O=C(NNc1ncccc1F)c1nn(-c2ccccc2)cc1O	804213465	OFSFFHVHNJEWJD-UHFFFAOYSA-N	313.292	1.869	50	20	DDGD	
C[C@@H](OCC1CC1)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802095899	FFHHDQRSPHCPIH-SECBINFHSA-N	321.333	1.383	50	20	DDGD	
CO[C@H](C)CCC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802120649	WHZJQGCZEISYAO-LLVKDONJSA-N	308.382	1.720	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=O)CNc2ccccc2)o1	295591901	FEOGPEHEGVSFHM-UHFFFAOYSA-N	302.334	1.419	50	20	DDGD	
CS(=O)(=O)Cc1ccc(C(=O)NNc2ncccc2F)cc1	804219824	HZJAKBHARRKBPR-UHFFFAOYSA-N	323.349	1.522	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)C=C2CCC2)cc1	292354181	XQAAUMMILDBXEK-UHFFFAOYSA-N	309.391	1.490	50	20	DDGD	
C#Cc1cccc(NC(=O)NNc2ccc(-n3ccnc3)nn2)c1	806183475	FURCABINTIPBKJ-UHFFFAOYSA-N	319.328	1.792	50	20	DDGD	
Cc1nn2cccnc2c1C(=O)NNc1nccnc1C1CCC1	805464615	BPECLXRAGSLQDT-UHFFFAOYSA-N	323.360	1.852	50	20	DDGD	
CC(=NNC(=O)c1cn(C)c2ccccc12)c1cc(CO)on1	812224211	GDNQNZUSYWVIJE-UHFFFAOYSA-N	312.329	1.813	50	20	DDGD	
COCCC(COC)=NNC(=O)COc1ccccc1C#N	812223709	JMKSBUYAVOHWFV-UHFFFAOYSA-N	305.334	1.092	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1ccc2c(c1)OCO2)n1cccn1	819004352	YDKBDFIWYLCMNX-JTQLQIEISA-N	316.317	1.024	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)c1cc2c(s1)CCC2	812452300	DRTOYAQZVHRTOY-VHSXEESVSA-N	310.419	1.916	50	20	DDGD	
COc1cccc(C=NNC(=O)COc2ccccc2O)n1	814952349	VXITXPKAMOHOSP-UHFFFAOYSA-N	301.302	1.325	50	20	DDGD	
CCN1C(=O)C(=NNC(=O)N=c2cc[nH]cc2)c2cc(C)ccc21	815003682	FVIFUHIWJCTQMP-UHFFFAOYSA-N	323.356	1.704	50	20	DDGD	
Cc1c(NNC(=O)CCc2ccn(C)n2)cccc1[N+](=O)[O-]	815855104	FNWOCKRGZZUEFW-UHFFFAOYSA-N	303.322	1.713	50	20	DDGD	
C[C@H]1CCCC[C@H]1C(=O)NNC(=O)COc1ccc(C#N)cc1	819004226	LGDOTMHJUQLLKK-SWLSCSKDSA-N	315.373	1.911	50	20	DDGD	
CCN1C[C@@H](C(=O)NNc2cc(Cl)nc(Cl)c2)CC1=O	819740892	ANRVFQOVWXKEAP-ZETCQYMHSA-N	317.176	1.700	50	20	DDGD	
CC(=NNC(=O)C1CCCC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	811637553	BPEGHMKTWBIBSG-UHFFFAOYSA-N	314.345	1.247	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@]1(C)CC1(F)F	817512342	APZDHLBDDYUUSC-SDBXPKJASA-N	316.279	1.786	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C(C)C)nc1C	815349460	ISEBQYCDDUPUAL-NSHDSACASA-N	321.377	1.616	50	20	DDGD	
N#CCCn1cc(C=NNC(=O)Cc2cc[nH]n2)c2ccccc21	814955167	XGJRVJZBIPHNMI-UHFFFAOYSA-N	320.356	1.971	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1nn(C)c2ccccc12	817524471	BRAJLJRTZBXMFD-UHFFFAOYSA-N	303.366	1.246	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1	728170134	IFQQOHONSSRWCK-CQSZACIVSA-N	300.362	1.330	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1cc(F)cc2nn[nH]c12	817006757	XSENCHGBBJJYGL-UHFFFAOYSA-N	306.688	1.902	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CNC(=O)C2)c1C	490844737	RDYUDMCKKVNQPV-LULHVWEPSA-N	314.389	1.427	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2nnc(C3CC3)s2)cn1	491008371	HTGBIAANSHBFPA-ONNFQVAWSA-N	300.347	1.695	50	20	DDGD	
CCN(CCO)NC(=O)Cc1csc(-c2cccnc2)n1	823837783	FUICVNPMECJQES-UHFFFAOYSA-N	306.391	1.093	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(C)c1	823474242	IDBWKVWRVVWKID-BXUZGUMPSA-N	306.362	1.119	50	20	DDGD	
COc1cccc(NC(=S)NNC(=O)Cc2cccnc2)c1	728798905	LVLKXEDBKFBTRP-UHFFFAOYSA-N	316.386	1.651	50	20	DDGD	
CN(CCc1ccccc1)CC(=O)NNc1ncc(F)cn1	821377536	CLOAQROXKIOMKN-UHFFFAOYSA-N	303.341	1.233	50	20	DDGD	
COC[C@@H](C)NC(=O)NNC(=O)Cn1ccc2ccccc21	729581137	MEOLHVSGRYRXFU-LLVKDONJSA-N	304.350	1.007	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(-c2ccc(F)cc2)n(C)n1	823384477	LUTBUOZYKCSQFY-SNVBAGLBSA-N	306.341	1.184	50	20	DDGD	
Cc1nc(O)nc(O)c1NC(=O)/C(C#N)=C/c1ccc(O)cc1	490975026	OKIUWCDPBRYDLK-UXBLZVDNSA-N	312.285	1.448	50	20	DDGD	
C[C@@]1(C(=O)NNc2ccc(C(F)(F)F)cn2)CCNC1=O	822055468	OOQSJCGDVOPWMQ-LLVKDONJSA-N	302.256	1.070	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cc(C)n(C(C)C)n1	823222098	CLHFJYNGMMVFKK-UHFFFAOYSA-N	316.361	1.856	50	20	DDGD	
O=C(CCOc1ccc(Cl)c(F)c1)NNC(=O)NC1CC1	823767972	MDCPVDAAXGKBEA-UHFFFAOYSA-N	315.732	1.741	50	20	DDGD	
O=C(/C=C\C1CCCC1)NNC(=O)[C@H]1COc2ccccc2O1	493208802	QRDIKVLWXMQSHM-FJVVXJACSA-N	316.357	1.720	50	20	DDGD	
COc1ccc(C[C@H](C)C=NNC(=O)c2ncon2)cc1F	901290131	PMFWXHSLMXEYRR-VIFPVBQESA-N	306.297	1.812	50	20	DDGD	
C[C@@H](C=NNC(=O)c1cnccn1)CNC(=O)OC(C)(C)C	497078142	FUYSXHDQESSWDC-SNVBAGLBSA-N	307.354	1.353	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(F)c(NC(=O)OC)c1	822547786	PXLLJMLOHXMIBK-UHFFFAOYSA-N	314.342	1.085	50	20	DDGD	
CCC[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccccn1	825916291	FHXGNEZATMIXES-DYEKYZERSA-N	320.393	1.678	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])nn1	737803794	XVAZRYHUXOZORV-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)Nc1cccc(-c2nn[nH]n2)c1	735796492	CMHACTVKBZZTFI-UHFFFAOYSA-N	317.353	1.456	50	20	DDGD	
Cc1n[nH]c(C)c1C=NNC(=O)NCCNC(=O)OC(C)(C)C	491550727	UKSKKGLSSGYRKZ-UHFFFAOYSA-N	324.385	1.184	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNC(=O)c1cccc(N(C)C)c1	491652333	ABKJXOGPYUOGDE-ZDUSSCGKSA-N	302.378	1.499	50	20	DDGD	
CC(C)CCN1CCC(CNCc2cccc(B(O)O)c2)CC1	585026515	NZSJVPSGRNMEQB-UHFFFAOYSA-N	318.270	1.214	50	20	DDGD	
C[C@]1(C(=O)Nc2cccc(-c3nn[nH]n3)c2)C[C@@H]1Br	905543693	MSJCKFMGSQROTB-CABZTGNLSA-N	322.166	1.979	50	20	DDGD	
CC(C)(C)OC(=O)NCC1(C(=O)NNC(=O)CC2CC2)CC1	496924167	LBHPXDBDAVXFKY-UHFFFAOYSA-N	311.382	1.239	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C[C@H]1CCOC1	739679767	AULXXNPRATXZLH-GHMZBOCLSA-N	310.325	1.167	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)NCC(F)(F)F)C[C@H]1Br	907967341	MBDORLMNDJYYOF-CLZZGJSISA-N	318.093	1.053	50	20	DDGD	
O=C(O)[C@H]1C[C@H]1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	739548701	QRVPZLROOUVAAT-OLJWJDKZSA-N	306.362	1.071	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H](C)C(=O)O)cc1	737194779	JPUZRENKQPLFBN-KAQJVSAMSA-N	302.330	1.829	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCSc2ccccc21)[C@@H]1CCCCO1	833246951	VPQQZNRLKKTWLD-OLZOCXBDSA-N	320.414	1.983	50	20	DDGD	
O=C(NN=Cc1nc(-c2ccccc2)no1)[C@@H]1CCCCO1	834988489	JKANCNCBSZWYGZ-LBPRGKRZSA-N	300.318	1.756	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H]2CCCC[C@H]2C(F)(F)F)cc1	585031939	ZZSLHEGQWIGSHB-GXTWGEPZSA-N	315.144	1.825	50	20	DDGD	
CCOC(=O)[C@H]1CCCN(CC(=O)NNc2ncccc2C)C1	907697692	MKQLRVSLYUHMFG-ZDUSSCGKSA-N	320.393	1.108	50	20	DDGD	
O=C(NCc1ccc2c(c1)CCO2)NNc1ccc(F)cn1	731365638	NGPFBIPGLUBGHC-UHFFFAOYSA-N	302.309	1.982	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NC[C@H]2CC2(C)C)c1	732820488	OVAQRQVJKCDXPU-GFCCVEGCSA-N	305.378	1.750	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCc2cccc(Cl)c2C1	839171852	LFYPXSBRGVPMAT-UHFFFAOYSA-N	323.824	1.892	50	20	DDGD	
O=C(C[C@@H]1CCS(=O)(=O)C1)NNc1c(F)cccc1F	735692898	RFBFMNXQXLSFDH-QMMMGPOBSA-N	304.318	1.233	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2CCOc3c(F)ccc(F)c32)c1	585043027	JNFOWQLOZQHRGJ-CQSZACIVSA-N	319.116	1.258	50	20	DDGD	
CCS[C@H]1CCC[C@H](NC(=O)c2ccc(B(O)O)cc2)C1	584960477	LUIAZEJOZHAVPN-KBPBESRZSA-N	307.224	1.161	50	20	DDGD	
COc1ccc(CCC(=O)NN=C(C)c2cn(C)nn2)cc1	834943496	BRFKHFNXLZREGM-UHFFFAOYSA-N	301.350	1.297	50	20	DDGD	
N#Cc1cccc([C@@H](NNC(=O)c2ccccc2F)C(=O)O)c1	833075092	HLMKVJRWHXSQTE-CQSZACIVSA-N	313.288	1.758	50	20	DDGD	
CC(C)(C)C(=O)NN=Cc1ccc(OCC(=O)O)c([N+](=O)[O-])c1	731559208	UZZVHZXEVBTTNQ-UHFFFAOYSA-N	323.305	1.554	50	20	DDGD	
NC(=O)C1(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)CC1	732977046	ZLGJTGQKHQMZLO-UHFFFAOYSA-N	321.724	1.099	50	20	DDGD	
COc1cccc(CCNC(=O)NNC(=O)CC(F)(F)F)c1	918064047	ISALKMNKZVLVFI-UHFFFAOYSA-N	319.283	1.521	50	20	DDGD	
Cc1ccc(OCCNC(=O)NNC(=O)C2CCCC2)cc1	915891725	SYVMEKIICMLPGR-UHFFFAOYSA-N	305.378	1.894	50	20	DDGD	
CN(C(=O)CCCC[C@H]1CCSS1)C1CS(=O)(=O)C1	913146354	SJTWANKWUKFAGF-NSHDSACASA-N	323.505	1.956	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCCSC2)c1	748968838	WZXZLWPPKXVXFA-GFCCVEGCSA-N	304.375	1.398	50	20	DDGD	
CC(C)Cn1ccc(C(=O)NNC(=O)OCC(F)(F)F)n1	912597093	MVDPKGUBBNFVAM-UHFFFAOYSA-N	308.260	1.472	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)CC(F)(F)F	917596309	ODXZQGLSIWMMGY-UHFFFAOYSA-N	307.297	1.965	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@H](C)C(F)(F)F	742472825	WDRFPSYECNMZHN-QMMMGPOBSA-N	320.267	1.420	50	20	DDGD	
C#CCOc1ccccc1C=NNC(=O)[C@@H](C)OCCOC	748260426	STINRMKTBNBMOW-CYBMUJFWSA-N	304.346	1.200	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@H]2CCCCO2)ccc(F)c1F	841791290	SFKBWFIGFWDLJC-LLVKDONJSA-N	313.304	1.995	50	20	DDGD	
COCC(=NNC(=O)Cc1nc2ccccc2n1C)C(C)C	741457196	OHEORXVJNBUMIV-UHFFFAOYSA-N	302.378	1.890	50	20	DDGD	
Cc1nc(Cl)sc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843652107	HVCISJUJTYDYAN-NKWVEPMBSA-N	303.771	1.291	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NNc1ccc(CC(=O)OC)cc1	846373599	APRAXFVIJXBFRS-BENRWUELSA-N	303.318	1.289	50	20	DDGD	
COCCOc1ccc(C(C)=NNC(=O)[C@H]2CCO[C@H]2C)cc1	842558138	ROSKPYPTLRXUFC-BBRMVZONSA-N	320.389	1.977	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H]1CCN(C)[C@H](C)C1	745858222	NVRZCXNQIBUMRT-NEPJUHHUSA-N	320.393	1.122	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)CCC1Cc2ccccc2C1	844645487	FGBGWPSCFFGQEU-UHFFFAOYSA-N	324.446	1.788	50	20	DDGD	
COc1ccc(OC)c(C(C)=NNC(=O)N2CCOCC2)c1	745602006	BKJFARUAXFBLTJ-UHFFFAOYSA-N	307.350	1.470	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)CNC(=O)c2ccco2)s1	748784802	CGWUWVMXNMPUSH-UHFFFAOYSA-N	302.315	1.093	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(Oc2ccc(C)nn2)cc1	743191067	BLFLLTJJMBJKJD-UHFFFAOYSA-N	317.305	1.970	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCn2nc(C)cc2C)n1	746623077	DFRIABPBRDEYLR-UHFFFAOYSA-N	304.354	1.140	50	20	DDGD	
CC(C)(C)C[C@@H]1C[C@H]1C(=O)NNC(=O)CNC(=O)c1ccco1	843540221	FNHYJKJMRQPFJG-WDEREUQCSA-N	321.377	1.229	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](c2ncc[nH]2)C1	746452955	CNICSUOBZHCLHC-QWHCGFSZSA-N	321.425	1.171	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(C)c1	843648297	PYRBNJJLGIDMLJ-OLZOCXBDSA-N	306.362	1.255	50	20	DDGD	
NNC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1	841732394	SSYTUIXCLBYNQA-UHFFFAOYSA-N	317.311	1.927	50	20	DDGD	
CC[C@H]1CO[C@H](CC)CN1CC(=O)NNC(=O)c1ccccc1	844385006	BQPHGMCXISWDFD-LSDHHAIUSA-N	319.405	1.337	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(Br)co1	843663128	WTKSVUUUKACFLI-XPUUQOCRSA-N	317.139	1.228	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)c1ccccc1O)CC(C)C	842185979	QMKGURIBRSUEPF-NSHDSACASA-N	309.366	1.397	50	20	DDGD	
COc1ccnc(NNC(=O)c2cccc3c2OC(C)(C)C3)n1	847332578	QDYFAYJSDNMXKV-UHFFFAOYSA-N	314.345	1.956	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1csc(-c2ccoc2)n1	843650666	GBNHCMMUJNKULQ-SCZZXKLOSA-N	321.358	1.589	50	20	DDGD	
CCN1CCC[C@H](NC(=O)NNc2cc(F)ccc2F)C1=O	925988013	NYNYLVSLQAWSAK-NSHDSACASA-N	312.320	1.602	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)COc1ccccc1F)C1CC1	920049982	RFYVARBEWKUNCM-JTQLQIEISA-N	309.341	1.581	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	755049931	SGXVBZNSANETKI-SMDDNHRTSA-N	322.405	1.891	50	20	DDGD	
C[C@@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)Cc1ccc(F)cc1	759765334	ANZMBMGMRCHXCY-AAEUAGOBSA-N	323.368	1.514	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCn2cc(Cl)cn2)nc1	759737801	BITACIOXIVIKLM-UHFFFAOYSA-N	323.740	1.252	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(C(F)(F)F)nn1)c1cnn(C)c1	755188971	BSYDSCICRWMUSF-SSDOTTSWSA-N	314.271	1.476	50	20	DDGD	
O=C(NNC(=O)N1CCOC2(CCCCC2)C1)C1CCCC1	753334003	DQHBLJPCLUUJJQ-UHFFFAOYSA-N	309.410	1.953	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F	854923058	YISGDWRVYLTOOC-ZETCQYMHSA-N	314.342	1.305	50	20	DDGD	
O=C(NN=Cc1cnc([C@@H]2CCCO2)s1)c1cnccn1	755630845	GDPAHLYYMAVWFV-NSHDSACASA-N	303.347	1.549	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc(NC2CC2)nc1)C1CC1	855102196	HYENZKNIHHMVOM-SECBINFHSA-N	319.434	1.563	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNC(=O)c1cccc(Cl)n1	857326343	VHLPLLCLNNQYEJ-NSHDSACASA-N	310.785	1.370	50	20	DDGD	
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1nccn1C	755751813	ZGOJBEPGTNDDIX-UHFFFAOYSA-N	303.278	1.188	50	20	DDGD	
CCC[C@H](C(=O)NNC(=O)CN1CCCC1=O)c1ccccc1	920825547	CCOLSOSORQCOFW-AWEZNQCLSA-N	317.389	1.340	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCCc1cn(C)c2ccccc12	852578963	WYUPIXCTFDHACZ-UHFFFAOYSA-N	302.378	1.707	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CC1CC1)N(C)C(=O)OC(C)(C)C	854667918	SHZXVSASTMQLKN-LLVKDONJSA-N	313.398	1.579	50	20	DDGD	
CCC1(C(=O)NNc2ccc(Br)nc2)COC1	755794331	BPRPTKBAUONADF-UHFFFAOYSA-N	300.156	1.714	50	20	DDGD	
Cc1nc2cccc(C(=O)NNC(=O)CC(F)(F)F)c2[nH]1	855000318	GJODWVOUMKXXOU-UHFFFAOYSA-N	300.240	1.585	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc(C)cc1O	854283347	RVWCWNOOYYREET-UHFFFAOYSA-N	311.407	1.188	50	20	DDGD	
O=C1CC(C(=O)NNc2cc(C(F)(F)F)ccc2F)=NN1	754499388	SJVWWQCJPVIKGX-UHFFFAOYSA-N	304.203	1.164	50	20	DDGD	
C[C@]1(CNC(=O)C[C@H]2CCS(=O)(=O)C2)C[C@@H]1Br	857402288	JDTNUPXEKQUEOS-WCABBAIRSA-N	324.240	1.101	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1cc(F)cc(F)c1	755891920	OAIMHGRYXWYEDS-JTQLQIEISA-N	300.305	1.857	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2cnc3ccccn23)ccn1	755709781	RQQVILRLZGSVSL-UHFFFAOYSA-N	308.345	1.559	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1cccc(-n2cncn2)n1	857093322	WPVGONJHBREIKP-UHFFFAOYSA-N	314.349	1.004	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H](C)c2ccc(Cl)s2)nc1O	750231680	ASHDGBPRWQEEMA-RXMQYKEDSA-N	313.770	1.847	50	20	DDGD	
COC(=O)c1cc(C(=O)NC[C@]2(C)C[C@@H]2Br)c[nH]1	857389148	YVYRGUJWXOBNNB-CABZTGNLSA-N	315.167	1.705	50	20	DDGD	
O=C(NC[C@H]1CCCS1)NNC(=O)c1cccc([N+](=O)[O-])c1	757253709	GMMHUMAGFDAHMX-LLVKDONJSA-N	324.362	1.434	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNc1ccc(C(F)(F)F)nn1	755191148	BGBPNOXLVQSBHN-UHFFFAOYSA-N	314.271	1.603	50	20	DDGD	
N#C/C(=C/c1cn(CC(=O)O)nn1)c1ccc2ccccc2n1	759075154	GMQPJBRCRZDDOS-GHXNOFRVSA-N	305.297	1.975	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1occ2c1CCOC2	863099197	XYVFXZQEYDEGEB-UHFFFAOYSA-N	314.210	1.784	50	20	DDGD	
COCCOC[C@H](C)NS(=O)(=O)CC(C)(C)CCl	866875293	YBGHVFBMWNEHIV-JTQLQIEISA-N	301.836	1.222	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1cc(C(=O)OC)cs1	864362754	KAEUHANJNQRBIT-XFFZJAGNSA-N	322.386	1.984	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)/C=C/c1ccc(C=O)cc1	869067479	BARNIFQRXZQHBK-JUONBAAVSA-N	302.330	1.085	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNc2cc(Cl)nc(C)n2)n1	868906269	IVQLOWVZSIGOCN-MRVPVSSYSA-N	308.773	1.723	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2ccnc(C3CC3)n2)c1	862476083	HPLYJEHGUNBPNE-UHFFFAOYSA-N	302.359	1.799	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	866861547	QZVRIJDYJPZUEY-AXFHLTTASA-N	309.859	1.984	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(C)NC(=O)OCc1ccccc1	862286955	DZTWEPHBJYXPER-ACCUITESSA-N	303.318	1.730	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)c1ccn(C)c1	763746144	NVWBRNKTAACYHK-UHFFFAOYSA-N	304.375	1.665	50	20	DDGD	
COC(=O)c1cccc(NC(=O)NNC(=O)c2cccn2C)c1	861744475	WZIXNYXCPNPDAS-UHFFFAOYSA-N	316.317	1.278	50	20	DDGD	
CCCCCC[C@@H](C)CC(=O)NNC(=O)CS(C)(=O)=O	863461907	YVTQCETWEKNZNH-LLVKDONJSA-N	306.428	1.175	50	20	DDGD	
CC(=NNC(=O)c1ccc(-n2cnnn2)cc1)c1occc1C	767760715	ZPJQRQWXDQQQBU-UHFFFAOYSA-N	310.317	1.718	50	20	DDGD	
CCOc1ccc(OCC(=O)NN=c2cc[nH]c(C)c2)cc1	862508836	YHUZMXMNZCKTSI-UHFFFAOYSA-N	301.346	1.733	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cc(F)cc2cccnc12	760259465	HWNKDBHTRIFALR-NSHDSACASA-N	319.336	1.876	50	20	DDGD	
Cc1ncsc1/C=C/C(=O)NNc1nncc(N)c1Cl	1119781896	VJRBCKJNAYEUQI-NSCUHMNNSA-N	310.770	1.634	50	20	DDGD	
Cc1cc(C=NNC(=O)CNC(=O)c2cccnc2)c(C)s1	763199809	SRCPTHCZIZRKJF-UHFFFAOYSA-N	316.386	1.640	50	20	DDGD	
C[C@@]1(CNC(=O)NCC(=O)N2CCCC2)C[C@H]1Br	1118752489	OXMICBBACZISQW-SKDRFNHKSA-N	318.215	1.082	50	20	DDGD	
O=C(NN=C1CCC(O)CC1)C1CCN(c2ncccn2)CC1	761806766	IEFIEGUQHCXBRN-UHFFFAOYSA-N	317.393	1.100	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccnn1-c1ccc(F)cc1	872400654	ODGHBOQBHMZCGU-UHFFFAOYSA-N	320.324	1.125	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@@H]2CCCN2C=O)c1	874946587	OFVXDIUFCFFGAB-LBPRGKRZSA-N	324.381	1.073	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)C1CCN(C2CC2)CC1	874956269	RPHFCJTUFDVRDH-UHFFFAOYSA-N	319.434	1.274	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@@H]1c1ncc[nH]1	778226768	RUKWRVJHKATZDX-NWDGAFQWSA-N	307.398	1.129	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc2c1ccn2C	772077027	SXOYJNYTPKYSHO-JTQLQIEISA-N	317.345	1.281	50	20	DDGD	
CCOC(=O)c1n[nH]cc1/C=C(/C#N)c1ccc([N+](=O)[O-])cn1	1117693029	RGKQXQIDDSAGSJ-UITAMQMPSA-N	313.273	1.954	50	20	DDGD	
CSc1nc(-c2ccco2)nc(C)c1C(=O)NN(C)C(N)=O	770436830	XOKPETOQYSAZHJ-UHFFFAOYSA-N	321.362	1.422	50	20	DDGD	
NC(=O)c1cccc(NC(=O)NNc2ccc([N+](=O)[O-])cc2)n1	775680853	XLEVVWYMPPASDH-UHFFFAOYSA-N	316.277	1.237	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@@H](CO)c1cccc(F)c1	778592689	NOVKJJBMMVVHDQ-AWEZNQCLSA-N	317.320	1.503	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cnc2nccnc2c1	772868411	IEPZPPAICSXBQF-UHFFFAOYSA-N	309.333	1.695	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)[C@]2(C)CCOC2)cc1	1119115191	FODYDGKOOSJMKK-OAHLLOKOSA-N	322.434	1.497	50	20	DDGD	
CNS(=O)(=O)[C@@H]1CCCN(C[C@H](C)CBr)C1	770665691	GLQHXWRXZCHMQX-NXEZZACHSA-N	313.261	1.031	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc(-c2nc[nH]n2)cc1	771097018	MUVZOHXBAVKHRE-UHFFFAOYSA-N	321.340	1.855	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc3nsnc3c2)n1	776709389	WOZNWCDOJPJGEA-UHFFFAOYSA-N	316.346	1.555	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NN=Cc1cccc(O)c1O	779802346	FMACBRTUZKDUJX-UHFFFAOYSA-N	323.349	1.463	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc2ccccc2n1C	772039290	NQXWUHHDSUYDAB-SNVBAGLBSA-N	317.345	1.281	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@@H]1C[C@H]1c1ccncc1	1123833074	UVXQLOROTJKYQY-QWHCGFSZSA-N	304.419	1.481	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CC2COC2)ccc1OC(C)C	771606339	OTJGHGKYRXMRDA-UHFFFAOYSA-N	322.361	1.280	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1c(F)c(F)cc(F)c1F	883064912	SMBOBQQPCHQBGY-UHFFFAOYSA-N	320.242	1.431	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cn(C(C)(C)C)nc1C	772295327	KNOXMMNDGBNMMZ-SNVBAGLBSA-N	324.381	1.049	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)c(F)c1	880320441	HOMSAIIMFBZYJK-LBPRGKRZSA-N	311.313	1.556	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2CCc3cc(C#N)ccc32)nn1	787435056	XRGYOJLCENKHEC-AWEZNQCLSA-N	308.345	1.970	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1CCc2cc(C)ccc2O1	887148035	LMJCACJTYSUNQQ-HNNXBMFYSA-N	300.358	1.640	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ccc(F)c(F)c2)CCCC1	885111093	RUGMPVXCKJNESH-UHFFFAOYSA-N	318.345	1.765	50	20	DDGD	
C[C@H](C(=O)NNc1cc(F)ccc1F)N1CCSCC1	885142605	GSBVMEKSWUVSDF-SECBINFHSA-N	301.362	1.845	50	20	DDGD	
C#CCOCCNC(=O)NNC(=O)Nc1ccc(C)cc1Cl	784544284	HEOFLZOBMKUOOI-UHFFFAOYSA-N	324.768	1.634	50	20	DDGD	
COCC[C@@H](Cc1ccco1)NC(=O)NNC(=O)CC(C)C	784473160	PXMJQAAJINDNCZ-LBPRGKRZSA-N	311.382	1.604	50	20	DDGD	
CC(C)(O)CCC(=O)NNC(=O)CSc1ccccc1O	787481795	CPFAUXGPNWQHFL-UHFFFAOYSA-N	312.391	1.183	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCCc1ccc(OC)cc1	887142837	BZSVEIJOVCXKQH-UHFFFAOYSA-N	302.374	1.969	50	20	DDGD	
CCOCCCCNC(=O)NNc1cccc(C(=O)OC)c1	780820367	HYKDRAZEUCOANL-UHFFFAOYSA-N	309.366	1.916	50	20	DDGD	
COc1cccc(NNC(=O)C[C@@H](C)n2nc(C)cc2C)n1	780767912	CJLHVLUSJXZNEL-GFCCVEGCSA-N	303.366	1.998	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCC(=NNC(=O)c2ccccc2F)C1	788406855	HEWANVHAJPHOQH-LLVKDONJSA-N	312.366	1.899	50	20	DDGD	
O=C(NN=Cc1ccc2cnccc2c1)[C@@H]1CCS(=O)(=O)C1	782185412	QAEIFGNHXOJUHP-CQSZACIVSA-N	317.370	1.120	50	20	DDGD	
O=C(COC(=O)CSC(F)F)NNC(=O)c1cccs1	899268552	HVLXKMNQZMOFAJ-UHFFFAOYSA-N	324.330	1.008	50	20	DDGD	
CN(C)N(C(=O)[C@H]1CCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1	781579509	AMVXMIDQYAGOFR-RYUDHWBXSA-N	302.440	1.305	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)CSCC#N)c1	791272345	HLYPVFVCEWXVRW-UHFFFAOYSA-N	307.379	1.480	50	20	DDGD	
C#CCSCC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	895483989	VEZBBNYTLNXHEK-ZDUSSCGKSA-N	320.414	1.585	50	20	DDGD	
COC(=O)COc1ccccc1/C=C(/C#N)C(=O)NCC(C)C	899343426	WYMQLFNUZGXWBQ-ZSOIEALJSA-N	316.357	1.918	50	20	DDGD	
C[C@@H]1CC[C@@H](CNC(=O)NNC(=O)COc2ccccc2O)C1	793280398	LIVFHGDPMBYJPK-VXGBXAGGSA-N	321.377	1.538	50	20	DDGD	
CC(=NNC(=O)[C@H]1COc2ccccc2O1)c1ccnc(F)c1	794859817	DCELWPFCSZVWGG-CQSZACIVSA-N	315.304	1.901	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)OCC(=O)c2cnccn2)cc1	791510873	XREVCPDYQHISND-JYRVWZFOSA-N	323.308	1.818	50	20	DDGD	
COc1cc(NNC(=O)[C@H](OC)c2cnn(C)c2)ccc1Cl	799004921	ICNWPBHAKUGETM-CYBMUJFWSA-N	324.768	1.913	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1ccc(F)cc1N(C)C	790176986	XHMRLLDVVSTOCY-UHFFFAOYSA-N	321.400	1.573	50	20	DDGD	
C=C(C)CN(Cc1ccc(CO)o1)[C@@H](C)C(=O)NNC(=O)CC	796384788	YIZNOGIONNSEOW-LBPRGKRZSA-N	323.393	1.096	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccc(Cl)nn2)cc1	798152272	HOCBDLJNRDPPSI-UHFFFAOYSA-N	304.737	1.767	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)C1CCC(O)CC1	792023785	VZURJSYCRQKIHJ-UHFFFAOYSA-N	315.373	1.409	50	20	DDGD	
COc1ccc(/C=C(/C#N)S(N)(=O)=O)cc1OCC(C)C	799893208	GATSXQFUEPHFPQ-SDQBBNPISA-N	310.375	1.883	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1ccc2nccnc2c1	792380606	XNROWYYWKILOEY-UHFFFAOYSA-N	322.328	1.415	50	20	DDGD	
CCC(=NN(C)C(N)=O)c1ccc(Cl)c(S(N)(=O)=O)c1	794526643	SSMBYYKEHTYSHX-UHFFFAOYSA-N	318.786	1.112	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H](c2ccccc2)N(C)C)n1	794083061	FHFLEDDMEPGXCF-OAHLLOKOSA-N	312.373	1.454	50	20	DDGD	
COC(=O)c1csc(C(C)=NNC(=O)Cc2cc(C)[nH]n2)c1	794886355	IQSYLPQFGVRIDJ-UHFFFAOYSA-N	320.374	1.649	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NC[C@]2(C)CCOC2)nn1	1318639316	JVFPPQVVSFEEGL-HNNXBMFYSA-N	307.398	1.827	50	20	DDGD	
CC(=O)c1ccccc1C(=O)NNc1nncc(N)c1Cl	1324008228	ANUXLALIIJJTRU-UHFFFAOYSA-N	305.725	1.672	50	20	DDGD	
N#Cc1ccc(CCC(=O)NNc2nncc(N)c2Cl)cc1	1322656841	YOXIAMXUIGLLNT-UHFFFAOYSA-N	316.752	1.660	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCC(C)(C)C1CCCC1	1328134749	MAGWOWDBJLBZSE-DGCLKSJQSA-N	311.426	1.958	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cnc(C(C)C)[nH]2)cc1	1322045915	YUIGABPUHVBNLP-UHFFFAOYSA-N	302.334	1.617	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H](C)Cc2c(C)n[nH]c2C)n1	1321063368	VUKUAMSMMDMTFO-SECBINFHSA-N	315.377	1.370	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCc1ccc2c(c1)CCC2	1322271505	BRLBRYKUQXIDJO-UHFFFAOYSA-N	324.384	1.643	50	20	DDGD	
Cn1nc2ccccc2c1C(=O)NNC(=O)NC1CCCC1	1324107365	UGALVFUDWVCOTR-UHFFFAOYSA-N	301.350	1.460	50	20	DDGD	
O=C(CCl)NC[C@@H](O)COc1cccc(C(F)(F)F)c1	1253968735	SGVNAKGCUZZZDG-SECBINFHSA-N	311.687	1.800	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2CCCOCC2)cc1	1254206348	LOHGROZXUGCZRP-GFCCVEGCSA-N	307.350	1.208	50	20	DDGD	
CC(C)CN(CC(=O)NNC(=O)C(C)C)C(=O)OC(C)(C)C	1332888343	FAIAXGMBOVXWRE-UHFFFAOYSA-N	315.414	1.683	50	20	DDGD	
C[C@@H](C(=O)NNc1cncc(Br)c1)n1cncn1	1336791601	UYDMBQZRHVZBSG-ZETCQYMHSA-N	311.143	1.140	50	20	DDGD	
Nc1cnnc(NNC(=O)COc2ccc(C=O)cc2)c1Cl	1340556220	VBEZZLGYGCWUGM-UHFFFAOYSA-N	321.724	1.047	50	20	DDGD	
C[C@]1(C(=O)N2CCc3c(O)ncnc3C2)C[C@H]1Br	1350718229	XDLOURUTGPBQDY-SKDRFNHKSA-N	312.167	1.240	50	20	DDGD	
O=C(NN=C1CCOC[C@H]1CN1CCCCC1)c1cccnn1	1353080806	RNURTHCIRHOWOV-CYBMUJFWSA-N	317.393	1.085	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@H](C)[C@@H]1CCC(=O)N1	1351511890	WZRPHQPPJIKBBM-YPMHNXCESA-N	312.373	1.901	50	20	DDGD	
C[C@]1(NC(=O)NNc2cc(F)cc(Cl)c2)CCOC1=O	1520133998	SAQKIAPTNLIXLG-LBPRGKRZSA-N	301.705	1.811	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C23CCC(C(=O)O)(CC2)C3)c(C)o1	1600095921	ZNJCRWOCYRFEIB-UHFFFAOYSA-N	320.345	1.693	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=CCC(C)(C)C(=O)O)n1	1600183492	CWBDKGRJNHWCEZ-UHFFFAOYSA-N	324.406	1.788	50	20	DDGD	
O=C(NC[C@H]1CCO[C@H]1C(=O)O)NNc1cc(F)ccc1F	1601526262	YHHRHLLGBQADLT-RDDDGLTNSA-N	315.276	1.081	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)c1nnc(C2CC2)o1	1601560436	GPXSFWRJGSNEDB-UHFFFAOYSA-N	306.253	1.541	50	20	DDGD	
CO[C@@]1(C(=O)O)CCN(/C(=C\C#N)c2cccc([N+](=O)[O-])c2)C1	1606690899	GJDLXRWBYIIWRQ-XNISGLLXSA-N	317.301	1.635	50	20	DDGD	
Cn1cc(CCC(=O)NNc2ccc(C(=O)O)c(Cl)c2)nn1	1600949273	WXWICTNCANKSLF-UHFFFAOYSA-N	323.740	1.243	50	20	DDGD	
Cc1ccc(C2(CNC(=O)NNC(=O)C(=O)O)CCC2)cc1C	1610497052	GGZXGBDYVGNUEB-UHFFFAOYSA-N	319.361	1.140	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccc(C(=O)O)o2)cc1	1610062308	RNJYHAVUOXYOOD-UHFFFAOYSA-N	302.286	1.615	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)Nc1ccccc1C(=O)O	1611249956	MZKXHSXVGWRAOR-UHFFFAOYSA-N	320.330	1.616	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccc(-n3cnnc3)cc2)nc1	1610835604	AKTLRIOTBMYGQG-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
C[C@@H]1CNC[C@H]1CC(=O)NNC(=O)c1nc2ccccc2s1	1579450999	WCEPCILJUVMVNH-NXEZZACHSA-N	318.402	1.303	50	20	DDGD	
Cc1cc(=NNC(=O)NCC[C@H](N)Cc2ccccc2)cc[nH]1	1579637937	JONCAEFZGBBCFK-HNNXBMFYSA-N	313.405	1.398	50	20	DDGD	
CC(=O)c1cc(C(=O)NNc2ccc(C(=O)O)cn2)n(C)c1	1589258458	ZCMFDTRAYOMTKJ-UHFFFAOYSA-N	302.290	1.078	50	20	DDGD	
C=C(C)COCCNC(=O)NNc1ccc(F)c(C(=O)O)c1	1588570019	SFUSFCCNTUKTDG-UHFFFAOYSA-N	311.313	1.743	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1ccnc(C)n1	1599375851	COSQBZQPMIKXJN-UHFFFAOYSA-N	302.290	1.249	50	20	DDGD	
C[C@H]1[C@H](NC(=O)NNc2ccc(CC(=O)O)cc2)CCN1C	1594190540	IXPSEUAFQXZBKZ-GXFFZTMASA-N	306.366	1.032	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=C1CCCc2oc(C(=O)O)c(C)c21	1776102359	NYONRQFCLTWALR-JOYOIKCWSA-N	320.345	1.868	50	20	DDGD	
CCC(=CC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)CC	164351755	BXPKIMRDOHPSEL-UHFFFAOYSA-N	314.349	1.170	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCN(c2ccncc2)CC1	153341236	URNUGFSAWVRMBH-UHFFFAOYSA-N	317.842	1.552	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)n1	155176667	MROFLTNWHSDQNS-SRVKXCTJSA-N	305.382	1.533	50	20	DDGD	
CN(C[C@H](O)C1CC1)S(=O)(=O)c1ccc(CCCl)cc1	690249591	NYGALTAKRNFNMY-AWEZNQCLSA-N	317.838	1.859	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C2(C#N)CCOCC2)cc1	109138138	KAVKBZUZFJKGTA-UHFFFAOYSA-N	301.346	1.330	50	20	DDGD	
CCc1cccc(OCC(=O)NNC(=S)NC(C)(C)C)c1	8301951	JDFDGWLKWSKGIR-UHFFFAOYSA-N	309.435	1.922	50	20	DDGD	
C[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1cccc(N(C)C)c1	104814414	KQSGWFAIGJXXPX-BXUZGUMPSA-N	304.394	1.885	50	20	DDGD	
CCn1c(NNC(=O)c2cc(C#N)c[nH]2)nc2ccccc2c1=O	175169168	XZRCNKPYLUCLKY-UHFFFAOYSA-N	322.328	1.373	50	20	DDGD	
CC(C)[C@H](NC(=O)NNc1ncccn1)c1nc(C2CC2)no1	69872632	KIRDNUYDUQYGHO-JTQLQIEISA-N	317.353	1.760	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)Cn2nc(C)cc2C)cc1	111543101	HMJDSEHDUFWAQY-UHFFFAOYSA-N	314.345	1.164	50	20	DDGD	
O=C(NCc1ccc(Cn2cccn2)cc1)NNc1cccnn1	172487164	KEMXCNMYKMPZSX-UHFFFAOYSA-N	323.360	1.548	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C(=O)NNc2cnccn2)c1C	114879947	PHJKPWUYSSCSFC-UHFFFAOYSA-N	303.322	1.355	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc(OC)c([N+](=O)[O-])c1	171752811	MAIYNDLDBXTBSC-WQLSENKSSA-N	319.317	1.663	50	20	DDGD	
C[C@@H](C(=O)NNc1ncnc2nc[nH]c12)n1cnc2ccccc21	173948110	YVSKNBHOYHKGEQ-VIFPVBQESA-N	322.332	1.407	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)C(C)(C)C)Oc1ccc(F)cc1	176585306	ZBMVAAKOYLGQEQ-JTQLQIEISA-N	311.357	1.970	50	20	DDGD	
CCc1ncsc1NC(=O)C(=O)NNc1ccc(C#N)cc1	119697764	UIWBANUMRXBJCR-UHFFFAOYSA-N	315.358	1.659	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2OC)[nH]n1	122714448	YIJJTLOYAFHAMR-UHFFFAOYSA-N	322.752	1.709	50	20	DDGD	
CN1N=C(C(=O)NNc2cccc3c2CCCC3)CCC1=O	120206519	GLRXMRVSJCWHLL-UHFFFAOYSA-N	300.362	1.617	50	20	DDGD	
COC(=O)c1cc(C(=O)OC[C@@]2(C)C[C@H]2Br)on1	1344035098	ISBCRPGPWMSZFU-LDYMZIIASA-N	318.123	1.792	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)C1(c2ccccc2)CCOCC1	65192091	CPUYYCCEYFGRGR-UHFFFAOYSA-N	317.389	1.475	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNc1ncc(F)cn1	123191920	YGIVBIGTKCJMQO-UHFFFAOYSA-N	306.297	1.537	50	20	DDGD	
CC(C)CCO[C@H](C)C(=O)NNC(=O)COCc1ccccc1	78192215	ZSNRVXUAHGHBLD-CQSZACIVSA-N	322.405	1.802	50	20	DDGD	
COc1cc(/C=C(/C#N)C(=O)N2CCCC2)cc(OC)c1O	33417092	ATBAXXSOSXCKTR-GHXNOFRVSA-N	302.330	1.939	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2c(C)nn3cccnc23)cc1	129137708	AQAQLEMPOWIXCO-UHFFFAOYSA-N	323.356	1.675	50	20	DDGD	
CN(CCNC(=O)NNc1ccc(Cl)nn1)c1ccccc1	121604255	MBXYLWSKEBBXHH-UHFFFAOYSA-N	320.784	1.893	50	20	DDGD	
Cc1cccc(C)c1CCNC(=O)NNC(=O)[C@@H]1CCCO1	125424399	ZYYMSGVONVLSMO-AWEZNQCLSA-N	305.378	1.355	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)N[C@H]2CCSC2)c1	75803512	CJXFKGVVXXLCQP-NSHDSACASA-N	308.407	1.202	50	20	DDGD	
CCCC(=O)N1CCC[C@@H](C(=O)NNc2ncc(F)cn2)C1	123244404	UARLGBZXPDNDSO-SNVBAGLBSA-N	309.345	1.098	50	20	DDGD	
CC(C)OCCCCNC(=O)NNc1nc2ccccn2n1	189888259	LZIWFHHDBMDZKD-UHFFFAOYSA-N	306.370	1.561	50	20	DDGD	
O=C(CSc1nnc(-c2ccccc2)o1)NNC(=O)C1CC1	128038042	ZWOSMRUNDRSNFE-UHFFFAOYSA-N	318.358	1.386	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1ccc(C)n1C	183302665	YYLVUFZOBHRYSR-UHFFFAOYSA-N	317.345	1.182	50	20	DDGD	
COc1ccc(-c2n[nH]cc2C(=O)NNc2cnccn2)cc1	186994860	QZIDPWIKTOJSQL-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
Cn1c(NNC(=O)Cc2cncs2)nc2ccccc2c1=O	187951597	NTTPOAYZIOUKPM-UHFFFAOYSA-N	315.358	1.076	50	20	DDGD	
COCCCNC(=O)NNC(=O)C(F)(F)c1ccc(F)cc1	139522147	UVATWUYERRFJSI-UHFFFAOYSA-N	319.283	1.284	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1ccc(C(F)(F)F)cn1	132183804	RGSPLVMWWQOWPN-UHFFFAOYSA-N	320.271	1.680	50	20	DDGD	
CNC(=O)c1ccc(/C=C(\C#N)C(=O)N[C@@H](C)COC)cc1	192974120	WEJDUWXFIQWQJW-KYJZABPNSA-N	301.346	1.104	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)CC1CCSCC1)C1CC1	135572702	CXPNDIXPLZODGE-VIFPVBQESA-N	301.481	1.814	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1cc(F)cc(F)c1	49124719	NSRVGYJECTYBKT-UHFFFAOYSA-N	307.322	1.257	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C1CCN(C2CC2)CC1	192518713	OLHNTDQIDQNZAU-UHFFFAOYSA-N	317.389	1.331	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(Br)c(O)c1	136232571	YXPIHSXKQYKFPO-UHFFFAOYSA-N	315.167	1.962	50	20	DDGD	
CCCCCOc1ccc(S(=O)(=O)NNC(C)=O)cc1	194430885	YAOXCYNOKPFCQU-UHFFFAOYSA-N	300.380	1.585	50	20	DDGD	
COc1ccc(C(=O)CCC(=O)NNC(=O)C(C)(C)C)cc1F	81676675	FENGSESLHNVPCH-UHFFFAOYSA-N	324.352	1.991	50	20	DDGD	
CSC1(CNC(=O)NNC(=O)Cc2ccc(F)cc2)CC1	195137228	PMHWTMAEQZTKKZ-UHFFFAOYSA-N	311.382	1.594	50	20	DDGD	
CC(C)Oc1ccc(Cl)cc1C(=O)NNC(=O)C(C)(C)O	190067030	LUMHKYBGBIVJSF-UHFFFAOYSA-N	314.769	1.659	50	20	DDGD	
COc1cc(OC)c(C=NNC(=O)c2cccnc2)c(OC)c1	254814274	FNEUTZVTMLMANR-UHFFFAOYSA-N	315.329	1.871	50	20	DDGD	
CS(=O)(=O)N[C@@H]1CCCN(/C(=C\C#N)c2ccccc2)C1	254951166	LKEGQYUMOZEXJM-WJQTUHTMSA-N	305.403	1.565	50	20	DDGD	
O=C(CCCNC(=O)c1ccc(F)cc1)NNC(=O)C1CCC1	264765489	NNPYZZTUNSLUNT-UHFFFAOYSA-N	321.352	1.283	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCCSC1	267335209	PICVOVCYNVIERA-SNVBAGLBSA-N	324.362	1.434	50	20	DDGD	
Cn1cc2c(n1)CCC[C@@H]2C(=O)NNC(=O)Nc1ccccc1	367277152	HFOPGYXZSNZFCX-LBPRGKRZSA-N	313.361	1.693	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H](C)N2CCCCCC2)n1	279741043	ATFLYKPJIVLAAI-ZDUSSCGKSA-N	304.394	1.416	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@H]1CCc2[nH]ncc2C1	270251522	IVHLHGTWKOVBST-QMMMGPOBSA-N	314.374	1.663	50	20	DDGD	
CCOc1ccccc1C(=O)NNC(=S)NCCSC	271383969	HXALHIATRPJDAQ-UHFFFAOYSA-N	313.448	1.557	50	20	DDGD	
CC(C)Oc1ccc(C#N)cc1NC(=O)NNC(=O)CN(C)C	274247026	VLMDLUJIIZCWCA-UHFFFAOYSA-N	319.365	1.060	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N(C)Cc2ncon2)cc(C#N)n1C	272192861	FUBTXRJXOFPKCN-UUILKARUSA-N	310.317	1.154	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1cncnc1	273620300	OMXVTKHAOKPKLV-UHFFFAOYSA-N	314.389	1.844	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NNC(=O)c1ccncc1	274278542	CNPSLPBWCYZNLY-VIFPVBQESA-N	314.183	1.652	50	20	DDGD	
Cn1nc([C@@H]2CCCOC2)cc1NC(=O)NNC(=O)C(C)(C)C	279683483	BDLSAZIQGGEOOY-SNVBAGLBSA-N	323.397	1.513	50	20	DDGD	
CC[C@H](C)Oc1cc(CNC(=O)NNC(=O)C2CCC2)ccn1	272139022	UDUUOGPYUOABQX-NSHDSACASA-N	320.393	1.889	50	20	DDGD	
CC[C@H](CC(=O)NNC(=O)N1CCN(C)CC1)c1ccccc1	278768664	YASGSPYXVLIQPQ-CQSZACIVSA-N	318.421	1.559	50	20	DDGD	
CSc1cccc(NC(=O)C(=O)NNC(=O)CC2CC2)c1	274041756	GGKGNEAAYZXOMW-UHFFFAOYSA-N	307.375	1.295	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCCN1C(=O)CCC1=O	272616895	PRJUMLWYCQAZOB-JTQLQIEISA-N	319.199	1.061	50	20	DDGD	
C=C(C)[C@@H](CC(=O)NNc1nc(-c2cccnc2)no1)OCC	270057956	OBNLKTZQXAWCIX-GFCCVEGCSA-N	317.349	1.946	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1cccc([C@H]2CCOC2)c1	270548651	NPOMRERXTMIZGQ-LBPRGKRZSA-N	324.344	1.614	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1ccc(C)cc1F	272342787	NBLVPGDSFWJFMJ-SNVBAGLBSA-N	313.329	1.338	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncccn1)[C@@H](c1ccccc1)N(C)C	287966998	JCQJZBGVWVBDCA-OCCSQVGLSA-N	314.393	1.794	50	20	DDGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NNc1cnc2ccccc2n1	286195062	VUQCQBKXVWQIIW-BONVTDFDSA-N	315.377	1.624	50	20	DDGD	
CCc1c(C(=O)NNC(=O)COc2ccccc2F)ccn1C	289916784	OIINXUUGYFNQJA-UHFFFAOYSA-N	319.336	1.567	50	20	DDGD	
COC(=O)COCC(=O)NNc1ccc(Cl)cc1Cl	288303319	UFGUQSWGMGKSBW-UHFFFAOYSA-N	307.133	1.626	50	20	DDGD	
C[C@@H]1CC=CC[C@H]1C(=O)NNC(=O)COCc1ccccc1	283854242	IAWHEZXBEACJQW-UKRRQHHQSA-N	302.374	1.953	50	20	DDGD	
CN(C)[C@@H](C(=O)NNC(=O)NC1CCCC1)c1ccccc1	299699621	ZWWJTKDAUUJLST-CQSZACIVSA-N	304.394	1.562	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H]1OC[C@H]2COCC[C@H]21	290460609	JELGFPZUPFWMEU-OASPWFOLSA-N	307.306	1.089	50	20	DDGD	
COC(=O)N(C)NC(=O)Cc1cccnc1Br	804124556	YRYOEAPSWAIAFQ-UHFFFAOYSA-N	302.128	1.116	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNC(=O)c1c[nH]c2ccccc12	294305326	IVZDYTDQIOTLJW-GFCCVEGCSA-N	307.375	1.043	50	20	DDGD	
CCOC(=O)NCC(=O)NNc1cccc(Br)c1	299242492	WCYCOJSJJXGBDY-UHFFFAOYSA-N	316.155	1.638	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H]1CCCSC1	809984523	NNMGASMAWUYRFO-NSHDSACASA-N	318.402	1.547	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H](C)n2cnc3ccccc32)O1	293856539	HZHQJJKJVQVBTE-WDMOLILDSA-N	316.361	1.312	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1cncn1C	809799834	XEABUCFWVPCJBB-VIFPVBQESA-N	322.752	1.302	50	20	DDGD	
CC(C)(C)n1ncnc1CNC(=O)NNc1cccc(C#N)c1	800742519	SEKDCNXZOMSFAW-UHFFFAOYSA-N	313.365	1.731	50	20	DDGD	
C[C@H]1C[C@@H](CNC(=O)NNc2ncc(F)cc2F)CCO1	297455482	VPEHRPSIJWCFGQ-IUCAKERBSA-N	300.309	1.801	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@H](C)CN(C)C)cc(C#N)n1C	293973844	XCAZHRWKMUUSLH-FCGPPKDQSA-N	313.405	1.426	50	20	DDGD	
COCCN(C)NC(=O)Cc1cccc(OCC(F)(F)F)c1	296918813	AIESZGSFTLWDCU-UHFFFAOYSA-N	320.311	1.780	50	20	DDGD	
Cc1cc(F)ccc1CCNC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	297948068	MIDOHBWUGBZUET-FZMZJTMJSA-N	323.368	1.575	50	20	DDGD	
Cn1cc(S(=O)(=O)N2CC=C(C#N)CC2)c(C(F)(F)F)n1	292956113	CIXHSWWLRPXSRR-UHFFFAOYSA-N	320.296	1.283	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@@](C)(OC)C2CC2)n1	291582077	WKHXJCRDWCGSPB-CQSZACIVSA-N	309.370	1.235	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CCc2cccnc2)cc1	802052297	NIXZBOIYTKNDGC-UHFFFAOYSA-N	314.345	1.876	50	20	DDGD	
CCOc1nc(C(=O)NNC(=O)Nc2ccc(OC)cc2)co1	802056603	VJOHDKSHCLFWTM-UHFFFAOYSA-N	320.305	1.548	50	20	DDGD	
CCc1ncncc1C(=O)NNC(=O)Nc1cc(F)cc(F)c1	802006945	SUENKAOLYHIQTJ-UHFFFAOYSA-N	321.287	1.784	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)[C@H]1CCc2nncn2C1	815855356	OJHWYBYNIFJRTJ-VIFPVBQESA-N	323.303	1.585	50	20	DDGD	
CC1CCC(N2C[C@@H](C(=O)NNC(=O)CC3CC3)CC2=O)CC1	819118073	MPQWZMYAKTYIAS-QRMWWUJWSA-N	321.421	1.361	50	20	DDGD	
CCCCN1CCCC[C@H]1CNC(=O)NNc1ncncc1F	814297411	GQLPDVUAEDDXEQ-LBPRGKRZSA-N	324.404	1.896	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1c(F)cc(C)cc1F	819808871	WTJBMBUFEAZGNQ-SNVBAGLBSA-N	300.305	1.775	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1noc(-c2cccc(F)c2)n1	819136428	WCCWKCBGIODISV-UHFFFAOYSA-N	304.281	1.437	50	20	DDGD	
C[C@@H]1C(=NNC(=O)c2cnccn2)CCN1Cc1ccccc1	811637392	VOVBJFOLMNAANU-CYBMUJFWSA-N	309.373	1.857	50	20	DDGD	
O=C1CC[C@@]2(C(=O)NNc3ccc(F)cc3F)SCCN12	811872152	ZUZWPQVPMUTBQV-ZDUSSCGKSA-N	313.329	1.473	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=Cc1cnc(N(C)C)nc1	814718269	PYFICBUGILKZPT-UHFFFAOYSA-N	323.360	1.263	50	20	DDGD	
COc1ncc(C=NNC(=O)c2cccc(N(C)C)c2)s1	812223714	JNPUMPNLBAPDTL-UHFFFAOYSA-N	304.375	1.982	50	20	DDGD	
CC(C)OCCONC(=O)NNC(=O)CCCc1ccccc1	812882952	HWDRPZJQHQSNAH-UHFFFAOYSA-N	323.393	1.696	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)c1cocn1	729299055	AHEZNRVQUPUSAB-UHFFFAOYSA-N	313.317	1.048	50	20	DDGD	
Cc1nccc(CCC(=O)NNc2ccc([N+](=O)[O-])cc2)n1	815850138	ZIFOXLJHPJWIML-UHFFFAOYSA-N	301.306	1.769	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccc[nH]2)c([N+](=O)[O-])cc1OC	725854083	FJWCJDJZPXDGSP-UHFFFAOYSA-N	318.289	1.704	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(C(=O)O)cc2)n1	820764058	WFWVYUPPQXTULG-UHFFFAOYSA-N	302.290	1.249	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@@H]2[C@@H](CCN2C)C1	827317879	CSWWXQFVIPVCSH-UONOGXRCSA-N	324.856	1.905	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@@H]1CCCC(C)(C)C1	826934827	PIXNIXKLSVYFFM-YNEHKIRRSA-N	311.426	1.958	50	20	DDGD	
COC[C@@H](OC)C(=O)NNC(=O)c1c(Cl)cccc1Cl	825768802	YXAGCMLMMUQFLA-SECBINFHSA-N	321.160	1.416	50	20	DDGD	
Cc1ccc(Cc2nc(C(=O)NN(C)[C@H](C)CO)cs2)cc1	823939142	GMJQYQQGQRVBDR-GFCCVEGCSA-N	319.430	2.000	50	20	DDGD	
O=C(NNC(=O)[C@]1(c2ccccc2)CCCO1)[C@H]1CCCCO1	820941694	ANVVUYPQYNVWEW-RHSMWYFYSA-N	318.373	1.409	50	20	DDGD	
COC(=O)NNC(=S)NCc1ccc(Br)cc1	493051178	KGTUDZWXIKKJJB-UHFFFAOYSA-N	318.196	1.684	50	20	DDGD	
CC(C)C(=O)NNC(=O)CNC(C)(C)c1cccc(Cl)c1	828693119	OEBIGVSNMGRMHO-UHFFFAOYSA-N	311.813	1.968	50	20	DDGD	
CCN(CCO)NC(=O)c1[nH]c(-c2cccc(OC)c2)nc1C	823870114	YZVZIHQDYSNLAC-UHFFFAOYSA-N	318.377	1.353	50	20	DDGD	
CCCCC[C@H](O)C(=O)NNC(=O)c1ccc(OC)c(OC)c1	822189100	NIYVALABFAHMIB-LBPRGKRZSA-N	324.377	1.406	50	20	DDGD	
CCCNC(=O)NNC(=S)Nc1ccc2c(c1)OCCCO2	727278612	HNCXRPRJINBSAW-UHFFFAOYSA-N	324.406	1.759	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)/C=C\[C@@H]1CCOC1	822732496	ZAQOIJJHCPDJOY-WWQCOOJYSA-N	308.309	1.648	50	20	DDGD	
CCC[C@H]1CCC[C@H]1CNC(=O)c1cc(B(O)O)ccc1F	584997660	JTNGEOZMIYYKDR-RYUDHWBXSA-N	307.174	1.452	50	20	DDGD	
CCc1noc(C)c1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	825771633	NKXMTFYANIFORC-UHFFFAOYSA-N	313.321	1.482	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCc2cc(C)on2)cc1F	821939275	NXMBMFWFIRIFND-UHFFFAOYSA-N	321.308	1.985	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1sc(N2CCCC2)nc1Cl	823964929	GIOQOCGLIJAGDQ-QMMMGPOBSA-N	318.830	1.354	50	20	DDGD	
Cc1ccccc1C(=NNC(=O)[C@H]1CCS(=O)(=O)C1)C1CC1	731926030	HKHOBPYGCVJKJQ-ZDUSSCGKSA-N	320.414	1.660	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)NNc1cnccn1	495562471	YUXCVAYXAVAQFE-NSHDSACASA-N	321.381	1.709	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)c1cc(-c2ccccc2)[nH]n1	732528390	ZTNQSJHGEWDASY-UHFFFAOYSA-N	320.374	1.227	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)N[C@H]1CCC[C@@H]2C[C@H]12	838777990	VPANTGKSPKIQAV-ILXRZTDVSA-N	317.389	1.722	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@@H]1CCCCc2ccccc21	584911400	HROUYLJFLWAENN-QGZVFWFLSA-N	309.174	1.815	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)c1ccnc(C2CC2)n1	732628935	BNJPGXFTWPAPPN-UHFFFAOYSA-N	300.293	1.568	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)Nc1ccc(OC)cc1)C(C)C	836323006	XYIWSZKYUWCKAN-ZDUSSCGKSA-N	324.381	1.702	50	20	DDGD	
CCC(C)(C)OCC(=O)NNC(=O)Cn1ccc2ccccc21	837399603	VGAHMMPGUCEDAG-UHFFFAOYSA-N	317.389	1.994	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCSCC(=O)O)cc1	737256539	QHQKKGLKCVQTGL-UHFFFAOYSA-N	310.375	1.218	50	20	DDGD	
CCOCc1cccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	831412010	KFKNWFLFAIHTBA-BXUZGUMPSA-N	321.377	1.801	50	20	DDGD	
CC(=NNC(=O)c1ccnc(N(C)C)c1)c1csc(N)n1	731561881	BIOHNAYOLPLEMU-UHFFFAOYSA-N	304.379	1.340	50	20	DDGD	
C[C@@]1(c2cccs2)C[C@H]1CNCc1cccc(B(O)O)c1	585024058	SMIMSVMVMXBQPC-XJKSGUPXSA-N	301.220	1.495	50	20	DDGD	
Cc1ccc2[nH]cc(C=NNC(=O)[C@@H]3CCS(=O)(=O)C3)c2c1	735613278	YEMXIDVOALTXHB-LLVKDONJSA-N	319.386	1.361	50	20	DDGD	
COCC1(CNC(=O)NNC(=O)N=c2cc[nH]cc2)CCCC1	836662155	UBBGFXVBGTUCRQ-UHFFFAOYSA-N	321.381	1.046	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNc1nc(-c2ccncc2)no1	839625216	OJEVTJBUKAPGFF-JTQLQIEISA-N	319.321	1.164	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC[C@@H]2CCCN(C)C2)o1	838772391	RDFFPHVBADWYNF-LBPRGKRZSA-N	308.382	1.264	50	20	DDGD	
Cc1noc(C[C@H](NS(=O)(=O)CCl)c2ccccc2)n1	831276273	JARVFSKPSMMNMD-NSHDSACASA-N	315.782	1.778	50	20	DDGD	
C=CCN1C(=O)C(=NNC(=O)[C@H]2CCCCO2)c2ccccc21	834990347	PNSPQOPFWXXLTC-CQSZACIVSA-N	313.357	1.609	50	20	DDGD	
CC1(C)C[C@H]1CNC(=O)NNC(=O)c1ccc2c(c1)OCCO2	732826078	PYJNMHUUDOJKNJ-NSHDSACASA-N	319.361	1.448	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNC(=O)c1ccc(Cl)cc1	839466292	AAWGETRSVNLWKW-NSHDSACASA-N	312.753	1.690	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccc(C(=O)O)c(F)c1	833133424	HEVYOYQKUODVMS-UHFFFAOYSA-N	323.202	1.030	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCn1cnc2ccccc21	731545008	SBWCCOFWSIKNOA-UHFFFAOYSA-N	303.391	1.108	50	20	DDGD	
COC1CCC(NC(=O)NNC(=O)CCc2ccccc2)CC1	838757218	GNLVWLHHVJCCEP-UHFFFAOYSA-N	319.405	1.907	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NCC(=O)NNC(=O)c1ccccc1Cl	831679303	UASGVSUEROTNCE-OLZOCXBDSA-N	323.780	1.034	50	20	DDGD	
N=C1NC(=O)[C@@H](CC(=O)NNc2cccc3c2CCCC3)S1	748588779	OOUWLYAFHGIELN-GFCCVEGCSA-N	318.402	1.565	50	20	DDGD	
C[C@@H](Oc1cccc(C=NNC(=O)c2ccncc2)c1)C(=O)O	746677563	ZCNUCCAXWGNCJX-LLVKDONJSA-N	313.313	1.697	50	20	DDGD	
O=C(NNc1ncncc1F)[C@@H]1CCO[C@@H](c2ccccc2)O1	848122495	MXISVTVXJYOBOT-SWLSCSKDSA-N	318.308	1.563	50	20	DDGD	
CN(C)c1nccc(NNC(=O)C(F)(F)c2ccccc2)n1	740105123	YFQMUGNFPUFJJE-UHFFFAOYSA-N	307.304	1.778	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)C2CCCC2)cc1[N+](=O)[O-]	914849389	ZKVJRQCWGHKNBH-UHFFFAOYSA-N	306.322	1.588	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cccc(OC(F)F)c1	748260462	UAVOLKBTHIVHFB-JTQLQIEISA-N	316.304	1.790	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1Cl	843654489	FYICYCOKPYJTPI-SFYZADRCSA-N	302.783	1.896	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)COCc2ccccc2)[C@H](C)[C@@H]1C	841582971	VXXNCFNZOYSVFZ-MGPQQGTHSA-N	319.405	1.920	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CCCC[C@H]1N1CCCCC1	748780494	JJDLKVRANGQQPF-CQSZACIVSA-N	308.426	1.412	50	20	DDGD	
O=C(NNC(=S)N[C@@H]1CCc2ccccc2C1)c1ccc[nH]1	742980213	PUGBVOWBUBCQHU-CYBMUJFWSA-N	314.414	1.681	50	20	DDGD	
CCC(N)(CC)CNC(=O)NNC(=O)c1cc2ccccc2o1	841952389	RPHRBQPBYJQZFK-UHFFFAOYSA-N	318.377	1.894	50	20	DDGD	
COC(=O)NN=Cc1cc2ccccc2nc1N1CCOCC1	916266569	FQGIAQURENDHNS-UHFFFAOYSA-N	314.345	1.761	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1C[C@H](C)[C@H](C)[C@H]1C	842165869	GVQDWGGKRZOWHB-SOUVJXGZSA-N	317.433	1.661	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N[C@H]1CCC[C@@H](N)C1)c1ccccc1	841980801	HDYSVXRKTYEMJL-KGLIPLIRSA-N	318.421	1.565	50	20	DDGD	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(C3CC3)C2)ccc1[N+](=O)[O-]	917368180	LETHJJBXDDIXGR-SNVBAGLBSA-N	304.302	1.820	50	20	DDGD	
C[C@H](COCC(=O)NNC(=O)c1cccn1C)c1ccccc1	844302504	IYVAXUJZBVROAE-CYBMUJFWSA-N	315.373	1.606	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2ccc(C#N)cc2)C[C@H](C)S1	743567817	AWPCPLPEVMNABD-QWRGUYRKSA-N	318.402	1.738	50	20	DDGD	
CC(C)N1C[C@H](NC(=O)NNc2ccc(F)c(F)c2)CC1=O	919710789	YAYXRGZRAUQARS-SNVBAGLBSA-N	312.320	1.600	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)CNc1ccc(OC)cc1	846627888	JHUOIOBIKWJYKK-UHFFFAOYSA-N	316.361	1.459	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1[C@@H]2CCCO[C@@H]2C1(C)C	743442361	ZDJWOHSEVXGQMP-AAEUAGOBSA-N	309.410	1.598	50	20	DDGD	
COCC[C@@H](C)CNC(=O)NNC(=O)Cc1ccccc1OC	840399460	OGMKNUIDXQCXCW-GFCCVEGCSA-N	323.393	1.241	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H]2C[C@@](C)(OC)C2(C)C)n1	746770400	CIIRMGHXGNKHNR-ZUZCIYMTSA-N	323.397	1.623	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1C	911502489	IDNDTZNZCZOHII-BXUZGUMPSA-N	304.346	1.384	50	20	DDGD	
CCN(CC)CCC(=O)NNC(=S)NC1CCCCC1	916126568	DZDOILZUWWDRDE-UHFFFAOYSA-N	300.472	1.546	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccccc1N1CCCCC1	841007252	NMQVMRBHQXWFRF-UHFFFAOYSA-N	319.409	1.569	50	20	DDGD	
CC(C)C[C@@H](CN)NC(=O)NNC(=O)c1cccc(Cl)c1	841953194	DKYWLHKNUYXUSL-LBPRGKRZSA-N	312.801	1.657	50	20	DDGD	
CN(CC1CC1)S(=O)(=O)NNC(=O)c1cc2ccccc2o1	749866534	CCWPDQUHEYGCCD-UHFFFAOYSA-N	323.374	1.254	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@@H](C)CC2)c1	744397872	VQOBXRLOPQHXLJ-CYBMUJFWSA-N	303.406	1.878	50	20	DDGD	
COc1ccc(C=NNC(=O)C(=O)N2CCCC2)cc1Cl	741460857	UIWQHFWXWMAXJK-UHFFFAOYSA-N	309.753	1.421	50	20	DDGD	
COc1ccccc1CCC(=O)NNC(=O)[C@H]1CCO[C@H]1C	843649223	TXYNDPSHWFNEAC-AAEUAGOBSA-N	306.362	1.200	50	20	DDGD	
COCCOCC(C)=NNC(=O)c1ccc(OC)c(OC)c1	741160551	SDIRTRYUAVESQP-UHFFFAOYSA-N	310.350	1.473	50	20	DDGD	
CCONC(=O)CNC(=O)/C(C#N)=C\c1ccc(OCC)cc1	846495509	DKZRYIODHSACSM-LCYFTJDESA-N	317.345	1.176	50	20	DDGD	
C[C@@H](N)CNC(=O)NNC(=O)Cc1ccc2ccccc2c1	841989756	WVWRWCRXZJMJNS-LLVKDONJSA-N	300.362	1.060	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@@]12CCC[C@@H]1C2	929249448	NPWYDRARZFQWMW-SJKOYZFVSA-N	318.373	1.802	50	20	DDGD	
CC(C)(C)N1CC[C@@H](NC(=O)NNc2ncc(Cl)cn2)C1	856919416	BJDLPORBLPNIRC-SNVBAGLBSA-N	312.805	1.629	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1ccc(N)cc1C	758117075	IYXGRCVAHZGATM-UHFFFAOYSA-N	304.394	1.722	50	20	DDGD	
O=C(NCC[C@@H]1C[C@H]2CC[C@H]1O2)NNC(=O)c1cccc(F)n1	852377710	PWEIXRQUTGQTOH-CKYFFXLPSA-N	322.340	1.122	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cnc2n1CCCCC2	857189395	DFPJPGXTLMHDQK-UHFFFAOYSA-N	311.349	1.409	50	20	DDGD	
CC(C)(CO)C(=O)NNc1cc(C#N)ccc1Br	855618124	WNAMXIGOIZJPOO-UHFFFAOYSA-N	312.167	1.782	50	20	DDGD	
CCCCNC(=O)COC(=O)/C(C#N)=C\c1ccc(O)cc1	750662440	KKJAQUSYPABAGR-LCYFTJDESA-N	302.330	1.759	50	20	DDGD	
C[C@]1(CNC(=O)NNc2ccc(F)cc2Cl)CCC(=O)N1	922804932	HJTQAFZJCKCIPR-CYBMUJFWSA-N	314.748	1.774	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NC[C@@]2(C)CCCO2)c1	755083296	AXFPHKVVEMPVAZ-MRXNPFEDSA-N	321.377	1.273	50	20	DDGD	
CN(C)c1nccc(NNC(=O)C2=Cc3ccccc3OC2)n1	754907678	OHRIGBPEORXBGU-UHFFFAOYSA-N	311.345	1.462	50	20	DDGD	
O=C(NNc1cccnn1)c1ccc(N2CCC(O)CC2)cc1	753081000	XACGJHSILYWXQN-UHFFFAOYSA-N	313.361	1.195	50	20	DDGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1cnc2n1CCC2	857132808	AJFGXJUMFOZCJI-UHFFFAOYSA-N	311.267	2.000	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@H]2C=NNC(=O)c2cccnc2)cn1	853256277	UTWBEDWTDHHGKU-SWLSCSKDSA-N	313.361	1.791	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCc2cc(C(=O)OC)ccc21	854970577	XAZFHUSATMMUPR-RAXLEYEMSA-N	300.314	1.806	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)c2ccccc2O)nc2ccccc21	920454838	YCAUYEZZVBHYRB-UHFFFAOYSA-N	324.340	1.283	50	20	DDGD	
O=C(CCCn1cccn1)NNc1ccc(C(F)(F)F)nn1	755197962	ZOXUOPFEMCGUGJ-UHFFFAOYSA-N	314.271	1.615	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccc3nn[nH]c3n2)C[C@@H]1Br	857732843	DCXWKNXKPDPCFZ-KWQFWETISA-N	310.155	1.256	50	20	DDGD	
CC(C)(C)c1cnc(NC(=O)NNC(=O)c2cnccn2)s1	756796971	SRRXHOXULHEXPH-UHFFFAOYSA-N	320.378	1.697	50	20	DDGD	
C=CCN(CC(=O)NNC(=O)Cc1nc(C)cs1)C(C)(C)C	852554580	RWWWHAWOIUZKQS-UHFFFAOYSA-N	324.450	1.428	50	20	DDGD	
Cc1ccc(NNC(=O)NCC(C)(C)N2CCOCC2)cc1F	853233547	RGLGHMNOPLGPDR-UHFFFAOYSA-N	324.400	1.871	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cnn(C)c2)cc2n[nH]cc12	757820298	XKDQOXDBRBHBIL-UHFFFAOYSA-N	313.321	1.071	50	20	DDGD	
COc1cc(C=NNC(=O)C2CCC2)ccc1OCC(=O)O	755726602	OFXRVOIRUZYFHA-UHFFFAOYSA-N	306.318	1.409	50	20	DDGD	
CCOC(=O)NNC(=O)COc1ccc(Br)cn1	864429789	BUSQVHILMMIWNQ-UHFFFAOYSA-N	318.127	1.000	50	20	DDGD	
COCCOc1ccccc1NC(=O)NN=c1cc[nH]c(C)c1	860518493	MEKLONHPBVTARN-UHFFFAOYSA-N	316.361	1.986	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21	932430296	ZHITXYORVMQNOU-RJTWHSRJSA-N	300.358	1.748	50	20	DDGD	
COc1ccc(C[C@H](C)C=NNC(=O)[C@H]2CCC(=O)N2)cc1F	863147912	OYNWJSPTIADAEW-GXFFZTMASA-N	321.352	1.394	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)cc1	764202197	OTLSGPVZGADANF-UHFFFAOYSA-N	307.350	1.217	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=C(C[C@H]2CCOC2)c2ccccc2)N1	863147653	LBUPEUNDYBCRLL-OCCSQVGLSA-N	315.373	1.212	50	20	DDGD	
COCCn1cc(C(=O)NNc2cc(C)ccc2F)ccc1=O	760141291	QNOJRIGZFMAQKI-UHFFFAOYSA-N	319.336	1.699	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCCCOc1cccc(C#N)c1	768243600	FYIFBVTXWMRGRE-UHFFFAOYSA-N	319.361	1.026	50	20	DDGD	
CN(NC(=O)Nc1ccc(C(=O)N=S(C)(C)=O)cc1)C1CC1	932357318	MKJWTASJYJSRAJ-UHFFFAOYSA-N	324.406	1.685	50	20	DDGD	
Cc1nc(CCC(=O)NNC(=S)Nc2ccccn2)cs1	768585060	AYDNKJYBKGGVOB-UHFFFAOYSA-N	321.431	1.797	50	20	DDGD	
C[C@@H](CBr)COC(=O)c1cc2n(n1)CCCO2	763365536	YNHUMYRURKCGKQ-QMMMGPOBSA-N	303.156	1.853	50	20	DDGD	
CSc1cc(C)ccc1NC(=O)NNC(=O)[C@H]1CCC(=O)N1	861174073	GNCVBHBHLHKOKI-SNVBAGLBSA-N	322.390	1.148	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc(C(=O)N(C)C)cc1)C(F)(F)F	862312467	MWAMOIHLWFWMBA-MRVPVSSYSA-N	303.284	1.574	50	20	DDGD	
COc1cccc(COCC(=O)NNc2nccnc2OC)c1	764463038	DSYSLRXMQZMHHF-UHFFFAOYSA-N	318.333	1.154	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1cc(SC)ccc1C	869911805	CABJOEZMQJXLBC-UHFFFAOYSA-N	312.391	1.141	50	20	DDGD	
O=C(C[C@@H]1C[C@H]2CC[C@H]1O2)NNCC(F)(F)C(F)(F)F	863101770	HCWZFQYCAHLTMO-XLPZGREQSA-N	302.243	1.762	50	20	DDGD	
C[C@H](NNC(=O)c1ccc(CCN(C)C)cc1)C(F)(F)F	862320228	GTEZXBNHQODSAD-JTQLQIEISA-N	303.328	1.976	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1	765328000	SJEPGIDSTNXXAP-KGLIPLIRSA-N	305.378	1.893	50	20	DDGD	
CC(=O)N(CCc1ccccc1)CC(=O)NNC(=O)C1CCC1	761716121	GSGLKCKMCHGHNS-UHFFFAOYSA-N	317.389	1.025	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](C)[C@@H](OC)c1ccc(F)cc1	875448281	PVANWZCUGNABME-JOYOIKCWSA-N	313.329	1.814	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNC(=O)C(C)C)c(C)c1	763831680	IYGQUAYAOZHTMV-UHFFFAOYSA-N	307.350	1.136	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)NCC(F)F)c1	879759551	QWYVSTGPBOUBEE-UHFFFAOYSA-N	301.293	1.278	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)C(=O)N2CCC[C@@H](C)C2)o1	767781270	WEMQXZDYOVUKBN-SNVBAGLBSA-N	319.365	1.371	50	20	DDGD	
O=C(CN1CCC2(CCSCC2)CC1)NNC(=O)C1CC1	879201168	ZHVZJYNWQRXJQN-UHFFFAOYSA-N	311.451	1.153	50	20	DDGD	
C[C@H](NC(=O)OCc1ccccc1)C(=O)NNc1ccn(C)n1	1116851859	AQKAVNWJKYRNHW-NSHDSACASA-N	317.349	1.178	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CCn2cccn2)c1	873754558	LNTBLJPBJTXTTN-UHFFFAOYSA-N	317.418	1.908	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1cccc(SC(F)(F)F)c1	1118861793	OXPXYPMALATRFA-UHFFFAOYSA-N	323.296	1.834	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(O[C@H]2CCOC2)cc1	878780471	LQFMOBVERNKZKR-LBPRGKRZSA-N	309.322	1.589	50	20	DDGD	
CC(C)n1ncc2cc(NC(=O)NNc3ncccn3)cnc21	775500992	NAFVHIZEITYINO-UHFFFAOYSA-N	312.337	1.951	50	20	DDGD	
COC[C@](C)(O)C(=O)NNC(=S)Nc1ccc(C)cc1C	873759153	JEHLEUTUJIOFFL-AWEZNQCLSA-N	311.407	1.018	50	20	DDGD	
O=C(N[C@H]1CCC[C@@H]1O)[C@@]12CC[C@@H](C[C@H]1Br)C2	871113366	QNCPVAKTIYZVCU-HKLXJQGRSA-N	302.212	1.970	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cnc([C@@H](C)O)s2)n1	773017282	GUEYZKHYWDNOBW-SNVBAGLBSA-N	307.379	1.160	50	20	DDGD	
CC[C@H](Cc1ccccc1C)C(=O)NNC(=O)c1cccnn1	882055952	HZLZHARYFKLIRG-CYBMUJFWSA-N	312.373	1.815	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc(Cl)c1O	772248424	WTVKUZTWALORFW-SSDOTTSWSA-N	314.725	1.148	50	20	DDGD	
CNc1nc(C(=O)NNc2cnc3ccccc3n2)cs1	774780892	ZCCHEZPVEUHWFV-UHFFFAOYSA-N	300.347	1.885	50	20	DDGD	
CN1C(=O)CCc2cc(C=NNC(=O)c3cccnc3)ccc21	774309932	IFAMSMUZCTUNJY-UHFFFAOYSA-N	308.341	1.755	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)c1ccnc(N(C)C)c1	770606059	INZKNUSWUVRHBD-UHFFFAOYSA-N	300.366	1.207	50	20	DDGD	
CCOCCOCCNC(=O)/C(C#N)=C\c1ccc(O)cc1	885756811	UJKHCHWDFHCKDQ-KAMYIIQDSA-N	304.346	1.468	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CCc2ncncc2C1	883417243	TWAUODLHDRUXGK-UHFFFAOYSA-N	311.345	1.198	50	20	DDGD	
N#Cc1ccc(NNC(=O)NCCSCC(F)(F)F)nc1	888730856	SKPLECVFXASDJS-UHFFFAOYSA-N	319.312	1.875	50	20	DDGD	
CN(NS(=O)(=O)CC[C@@H]1CCCCO1)C(=O)OC(C)(C)C	882255197	AAKNIUPSAHTUSS-NSHDSACASA-N	322.427	1.647	50	20	DDGD	
C[C@H]1CCCN(C[C@@H](C)NC(=O)NNc2ccc(C#N)cn2)C1	887900895	XNNADDHYDTYSRC-QWHCGFSZSA-N	316.409	1.700	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNc1ncncc1Cl	781833274	DYSGSGJWBFWRGW-UHFFFAOYSA-N	309.757	1.929	50	20	DDGD	
CCN(C(=O)/C(C#N)=C/c1cnn(C)c1)C(C)(C)C(=O)OC	886429595	KUXYOBZSMVAKQW-KPKJPENVSA-N	304.350	1.127	50	20	DDGD	
COCC1(C(=O)NNC(=O)NCCc2cccs2)CCC1	785955421	JVMFIBQBAIFVCS-UHFFFAOYSA-N	311.407	1.438	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H]2CCN2C(C)(C)C)n1	896996503	WNKLPLCJPIIMHR-LBPRGKRZSA-N	320.441	1.639	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cn2)cc1	786017052	NURKGDACPUFDCK-UHFFFAOYSA-N	314.732	1.610	50	20	DDGD	
CCSCCC=NNC(=O)Cn1nnc(-c2ccccc2)n1	781118133	WYNOJDLYVQKZON-UHFFFAOYSA-N	318.406	1.585	50	20	DDGD	
NC(=O)c1ccccc1C=NNC(=O)COc1ccccc1F	788699677	IPFISYMUZQRUQW-UHFFFAOYSA-N	315.304	1.454	50	20	DDGD	
CCCc1c(C(=O)NNC(C)=O)cnn1-c1ccc(F)cc1	782851533	NKSOBFAKQZQFOG-UHFFFAOYSA-N	304.325	1.745	50	20	DDGD	
C=C[C@](C)(CC)C(=O)OCC(=O)NNC(=O)c1ccccc1	785754233	OOCNZXLAQNHVIU-MRXNPFEDSA-N	304.346	1.593	50	20	DDGD	
CO[C@@]1(C(=O)NNc2ccc([N+](=O)[O-])cc2C)CCSC1	897759875	AZFDYWRIUGAIJU-ZDUSSCGKSA-N	311.363	1.868	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNc1nc2ccccc2c(=O)n1C	793500986	XABXPZCHQLUICE-ZWNOBZJWSA-N	318.377	1.438	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CCc2cc(C)on2)n1	896669100	SIFKVZIGBQGPNS-UHFFFAOYSA-N	318.381	1.695	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCC1(C#N)CC1	797583370	UKZYWDAPBMDZHY-JTQLQIEISA-N	320.324	1.227	50	20	DDGD	
Cn1ncc2c1C[C@H](C(=O)NNc1cccnc1Cl)CC2	799102038	XXLKRFCLXPZECV-SECBINFHSA-N	305.769	1.717	50	20	DDGD	
C[C@H]1CCC[C@H]1CNC(=O)NNC(=O)c1cccc(C#N)c1	798512892	PPOGEDCYDWAKLZ-FZMZJTMJSA-N	300.362	1.938	50	20	DDGD	
O=C(NNC(=O)c1ccc(CN2CCCC2)cc1)c1ccncc1	792393112	JWECOLKMFHVZGI-UHFFFAOYSA-N	324.384	1.752	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1)C(C)C	798308522	FQCGFVNDWXTHAX-ZDUSSCGKSA-N	321.377	1.060	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cn(C(C)(C)C)nn1	790154083	ORVGEAPGLYEARY-UHFFFAOYSA-N	307.383	1.144	50	20	DDGD	
Cn1cc(C(=O)NNc2nccnc2Cl)c(-c2ccoc2)n1	790725268	VFASEIRLXZUYKU-UHFFFAOYSA-N	318.724	1.880	50	20	DDGD	
Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NN)c1	799820836	WOTWQVHOPQCZBO-UHFFFAOYSA-N	319.386	1.708	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1ccc(=O)n(C)c1	798142827	AOJJKXBFVHMITQ-UHFFFAOYSA-N	321.768	1.709	50	20	DDGD	
Cc1nc2cc(C(=O)NNC(=O)Cc3ccncc3)ccc2o1	791622263	ZBKQKUXVASTKMV-UHFFFAOYSA-N	310.313	1.535	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1c(C)cc(C)cc1O	799873477	HFBQPRXISJWHKI-GFCCVEGCSA-N	324.402	1.284	50	20	DDGD	
COc1cc(NNC(=O)CCCCNC(N)=O)ccc1Cl	790169011	UFGATZRSLLNDRR-UHFFFAOYSA-N	314.773	1.630	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)NCC2(C#N)CC2)cc1	797580923	JFRFWPISGXVLAM-UHFFFAOYSA-N	318.402	1.721	50	20	DDGD	
COCC(=O)NCCC(=O)NNc1cccc2c1CCCC2	1319597767	UCQQQDQXEKVVHG-UHFFFAOYSA-N	305.378	1.161	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@H]2CCC[C@@H]2OC)cc1	1319799381	UXBCRLXLRCLGQE-OCCSQVGLSA-N	321.377	1.454	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cnn(Cc2cccnc2)c1	1320857506	MKDVMEUMOIOVBH-UHFFFAOYSA-N	302.338	1.135	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C1(c2ccccc2)CC(=O)C1	1324730760	VJTPZDCGKSZDKA-UHFFFAOYSA-N	305.403	1.191	50	20	DDGD	
CC(C)CNC(=O)CNC(=O)/C(C#N)=C\c1ccc(F)cc1	1323745458	YWMBRONGEZKNMB-QPEQYQDCSA-N	303.337	1.621	50	20	DDGD	
CSc1cc(NC(=O)NNC(=O)CCO)ccc1Cl	1327470967	PRGVJQHYGJVGRC-UHFFFAOYSA-N	303.771	1.597	50	20	DDGD	
C[C@@H]1CCc2nc(C=NNC(=O)c3cnn(C)c3)sc2C1	1324474450	WPOWNFVKJXAOSP-SECBINFHSA-N	303.391	1.765	50	20	DDGD	
Cc1coc(C(=O)NNC(=O)COc2ccccc2O)c1C	1325874635	TZWZKKDXJUSIRW-UHFFFAOYSA-N	304.302	1.442	50	20	DDGD	
O=C(NN=Cc1cccc2c1OCC2)c1n[nH]c2c1CCCC2	1336039515	ODBMOOQYLPNQFJ-UHFFFAOYSA-N	310.357	1.987	50	20	DDGD	
O=C(CCn1cccn1)NNc1cncc(Br)c1	1335973832	LAKQQWQQPIYNTC-UHFFFAOYSA-N	310.155	1.574	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N[C@@H]2CC23CCC3)C[C@@H]1Br	1330372855	KGSPTOBQQDZUGG-YGOYTEALSA-N	315.211	1.335	50	20	DDGD	
N#CC1=CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1	1254761324	MIORQMQACGWVKB-UHFFFAOYSA-N	305.265	1.795	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CC(O)(C3CC3)C2)cc1	1255867355	HLJROCKZWCZTJI-ZROIWOOFSA-N	312.369	1.976	50	20	DDGD	
O=C(NNc1cncc(Br)c1)c1ccnc(O)c1	1341215566	YHIFVVNWASRQJA-UHFFFAOYSA-N	309.123	1.702	50	20	DDGD	
CC(C)CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)CC1CC1	1347014272	ADFZFIHVBLMDEJ-CYBMUJFWSA-N	309.410	1.361	50	20	DDGD	
O=C(NCCN1C(=O)CSC1=O)C1CCC(Cl)CC1	1527466754	JDIQDXJDOWMCGF-UHFFFAOYSA-N	304.799	1.596	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)Nc2ccc(C(=O)O)nc2)n1	1600705946	ZUJNDQJGTLMKNL-UHFFFAOYSA-N	322.712	1.680	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1	1603974530	JAHBEKRLIYJYIJ-UHFFFAOYSA-N	309.717	1.083	50	20	DDGD	
O=C(NN=C1CC[C@@H](C(=O)O)C1)c1ccc2c(c1)OCCO2	1608477681	NDGDRIIRNOCBOB-SNVBAGLBSA-N	304.302	1.428	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)N[C@H]1CCNC12CCC2	1608480887	WVYKYLHQOAREBP-LBPRGKRZSA-N	322.340	1.435	50	20	DDGD	
N#CSCCCNS(=O)(=O)c1cc(F)cc(C(=O)O)c1	1601080009	YGWNOMOCGJTGBL-UHFFFAOYSA-N	318.351	1.407	50	20	DDGD	
O=C(O)c1coc(C(=O)NNCC(F)(F)C(F)(F)F)c1	1608986349	GNVXSCHBOSQSAP-UHFFFAOYSA-N	302.155	1.410	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1ccc(C(=O)O)cc1F	1603301082	QOCDYLKZLFBCAK-UHFFFAOYSA-N	311.313	1.400	50	20	DDGD	
O=C(O)[C@@]1(C(=O)NNc2nc3ccccc3[nH]2)CC=CCC1	1605935883	VCXSWOYUZCINRU-HNNXBMFYSA-N	300.318	1.817	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cn(-c3cccnc3)nn2)c1	1602450190	NXVLKLQAHPMEPD-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
O=C(O)c1ccc2c(c1)CN(S(=O)(=O)CCCCl)CC2	1602421501	QIBDDUYPEOMHHN-UHFFFAOYSA-N	317.794	1.702	50	20	DDGD	
CCn1nnc(C)c1C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1605945050	DXSBGRRCFCWISZ-UHFFFAOYSA-N	320.261	1.432	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@H]1C[C@@H](C(=O)O)C1)c1ccccc1	1604869244	OCTLDIORCGNDEP-XQQFMLRXSA-N	319.361	1.374	50	20	DDGD	
CCOCc1nc(C)cc(NNC(=O)C[C@H](C)CC(=O)O)n1	1605644835	BXFOSRWVHVDXGH-VIFPVBQESA-N	310.354	1.266	50	20	DDGD	
O=C(O)Cc1csc(NC(=O)NNC(=O)C2CCCC2)n1	1610797799	OOVGJLAAEVOYOS-UHFFFAOYSA-N	312.351	1.113	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@H]1C(=O)NN=CCC(F)(F)F	1549313239	DYRCQQAQVJTIKY-KOLCDFICSA-N	318.299	1.942	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C(=O)NN=C[C@@H]1CCCOC1	1549312965	DGCHNVSSPPETFO-MELADBBJSA-N	320.393	1.416	50	20	DDGD	
COC[C@@H](NC(=O)NNc1ccc(F)c(C(=O)O)c1)C(C)C	1610250765	MUADROREFBGEBV-GFCCVEGCSA-N	313.329	1.821	50	20	DDGD	
CC[C@H](C)C[C@@H](N)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	1576984666	ZMQKTGRPHPBYFR-SMDDNHRTSA-N	316.405	1.621	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(N)cn2)c1	1579673206	YJQUUTPSIXDZFW-UHFFFAOYSA-N	314.345	1.121	50	20	DDGD	
COc1cc(NNC(=O)[C@@]2(C)C[C@@H](OC)CN2)ccc1Cl	1579166181	BQJXNCLYLKKJFK-QMTHXVAHSA-N	313.785	1.559	50	20	DDGD	
CO[C@@H](C)C(=O)N1CCCC12CN(C(=O)C(C)(C)CCl)C2	1846401145	LZIKTMRJQORCRP-NSHDSACASA-N	316.829	1.490	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)[C@@H]2CCCCO2)C1	1841103319	FJRDUAYEKBDURL-WDEREUQCSA-N	318.776	1.293	50	20	DDGD	
O=C(NNc1cc(Cl)nc(Cl)c1)C1(F)CCNCC1	1580737718	WSAADAHNJZQKGL-UHFFFAOYSA-N	307.156	1.923	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=C1CC[C@H](C(=O)O)C1	1593621887	YWTJMCGMZARJIV-UWVGGRQHSA-N	308.309	1.950	50	20	DDGD	
O=C(O)COc1cccc(C(=O)NNc2cccc(F)n2)c1	1595123240	LCLRENJIDRDPKM-UHFFFAOYSA-N	305.265	1.441	50	20	DDGD	
O=C(O)[C@@H](C(=O)NNc1ccc(C(F)(F)F)nn1)C1CC1	1594836245	QVWPTOMHHICRCS-MRVPVSSYSA-N	304.228	1.049	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)C1CC2(CSC2)C1	1593166143	XOXYWLCSXBXJGN-UHFFFAOYSA-N	316.390	1.453	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NN=Cc1ccc(OCC(=O)O)cc1	1776102261	KYGLHKDZKWZWEC-STQMWFEESA-N	306.318	1.025	50	20	DDGD	
CC(C)OCCCNC(=O)/C(C#N)=C/c1ccc(C(=O)O)nc1	1776351913	YZSRRUIIAAKJTB-MDWZMJQESA-N	317.345	1.618	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)O)c(O)c1)OCC(F)(F)F	1776097152	NUWKUEAJGHIIQL-UHFFFAOYSA-N	306.196	1.713	50	20	DDGD	
COc1cc(C(=O)O)ccc1C=NNC(=O)c1ccc(N)cc1	1776014976	VEQDMGNQSLKLTO-UHFFFAOYSA-N	313.313	1.740	50	20	DDGD	
C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl	1796809796	DQDJDJMQIMQRBX-OPDFLTKYSA-N	314.788	1.963	50	20	DDGD	
CC(C)CC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccccn1	151805989	TVLUGCVYNIBEPG-UHFFFAOYSA-N	306.366	1.240	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)[nH]n1	152980323	ZOEHKALLQFJXRA-RKDXNWHRSA-N	318.299	1.848	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCCOc2cccc(F)c2)[nH]n1	153283920	CWWLJEOQGCQJAG-UHFFFAOYSA-N	320.324	1.477	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@H]2C[C@@H]3CC[C@@H]2O3)n1	155813014	AZBZZFCZHQAFSF-SRVKXCTJSA-N	305.382	1.333	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H](CC)N2CCCC2=O)cc1	154976850	PEGZTIFUGYAFAX-CQSZACIVSA-N	317.389	1.411	50	20	DDGD	
C[S@@](=O)C1(CNS(=O)(=O)c2ccc(CCl)cc2)CC1	380149547	WCWPZOZEEINZHI-GOSISDBHSA-N	321.851	1.615	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cc(Br)c[nH]1	8122851	KGQIZZUDZUIWLD-UHFFFAOYSA-N	300.156	1.728	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cc(Cl)ccc2Cl)cn1	8247290	ZAEJBJWSCVHDGF-UHFFFAOYSA-N	313.144	1.802	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@H]2CCCN(C(C)C)C2)n1	105275938	SAZHBALGBIUTPO-CQSZACIVSA-N	320.441	1.840	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)N[C@H]1COc2ccccc2C1	170898166	UVHBGFNPGKCRMQ-GFCCVEGCSA-N	305.378	1.757	50	20	DDGD	
CCCCN(C)CCNC(=O)NNC(=O)c1ccc(C#N)cc1	112464477	PYGUMWNWLMHOSS-UHFFFAOYSA-N	317.393	1.234	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)Cn2ccc3ccccc32)[nH]n1	104631255	KSOIGDNRQLOTSS-UHFFFAOYSA-N	311.345	1.388	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1oc(C)nc1C	175179404	WKERTAGTPOWTOH-UHFFFAOYSA-N	317.345	1.694	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(OC(F)F)c2)n(C)n1	103041097	PTXDZGKOMHGGBB-UHFFFAOYSA-N	324.287	1.405	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC(n2ccnc2)CC1	111243829	YZSVYAOSIAOYNW-ZDUSSCGKSA-N	321.425	1.102	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccc(O)c(Cl)c2)c1	103525265	XEGWHPROPDOXBB-UHFFFAOYSA-N	315.716	1.992	50	20	DDGD	
Cc1cnc(CNC(=O)NNC(=O)c2ccc(C#N)cc2)s1	176077627	RDRCFRLNCXAYRO-UHFFFAOYSA-N	315.358	1.467	50	20	DDGD	
CNC(=O)c1cccc(NC(=O)NNc2nc(C)cc(C)n2)c1	179693721	MPDAKZRDCWEHJP-UHFFFAOYSA-N	314.349	1.602	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1	110761668	OUFWKQAZLVASCC-RYUDHWBXSA-N	302.309	1.422	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2cc(F)ccc2C)o1	176687281	CQHJWAWZCPBZES-UHFFFAOYSA-N	312.322	1.659	50	20	DDGD	
CCOc1ncc(C(=O)NNC(=O)NCC2CC2)cc1Cl	112278565	UFOPAAUQIOYPEZ-UHFFFAOYSA-N	312.757	1.488	50	20	DDGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCOC1	112692677	FUNOFDJKOGZASD-SECBINFHSA-N	308.725	1.870	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)C2CCCCC2)C[C@@H](C)O1	68194794	OCRYJZIYIZWIKR-BETUJISGSA-N	311.426	1.213	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(c2ccccc2OC)CC1	178945968	WYPDGSXZRVUNAK-BUHFOSPRSA-N	315.373	1.788	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)C(C)(C)C)Oc1ccccc1F	176586923	MAUYQIPFMNUCMF-SNVBAGLBSA-N	311.357	1.970	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H]1CCCCN1C(=O)c1ccco1	68808446	JKYCLDXDPRLCBJ-LLVKDONJSA-N	322.365	1.013	50	20	DDGD	
C[C@@H](CCCc1ccccc1)C(=O)NNC(=O)N1CCOCC1	180089026	IFAOGSKGFKDIME-AWEZNQCLSA-N	319.405	1.718	50	20	DDGD	
O=C(COC[C@@H]1CCCO1)NNc1ccc(OC(F)F)cc1	123133575	UPGNUPXLLKPHGX-LBPRGKRZSA-N	316.304	1.927	50	20	DDGD	
CCCOc1ccc(OCC(=O)NNc2ncc(F)cn2)cc1	122973877	WALZVOZDENZEGA-UHFFFAOYSA-N	320.324	1.927	50	20	DDGD	
CC1CCC(N(C)CC(=O)NNC(=O)c2ccccc2)CC1	180639365	DIZAZQILIZRSBZ-UHFFFAOYSA-N	303.406	1.958	50	20	DDGD	
CCc1cc(NC(=O)NNC(=O)CCc2ccccc2)n(C)n1	185514828	GFNPDPMUPJOWKL-UHFFFAOYSA-N	315.377	1.768	50	20	DDGD	
O=C(CO)NNC(=O)c1occc1CSc1ccccc1	182752597	TXBPPCHQBUIVPZ-UHFFFAOYSA-N	306.343	1.325	50	20	DDGD	
O=S(=O)(CCCCl)N1CCN(c2ccccn2)CC1	36881479	GYDAXVFPZWQTHN-UHFFFAOYSA-N	303.815	1.162	50	20	DDGD	
CCCC[C@H](COC)NC(=O)NNc1nc2ccccn2n1	189103680	VEXNEBQYMMXCFC-LLVKDONJSA-N	306.370	1.561	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1c(C)noc1C1CC1	129441688	SBUJEVICTQOHMG-UHFFFAOYSA-N	304.310	1.358	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(C)(Cl)Cl	182365106	GDAGYRADOJOCMM-SSDOTTSWSA-N	323.151	1.934	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1cc2ccccn2c1	78192008	MRSUDBCMTZDFTB-UHFFFAOYSA-N	323.352	1.917	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)N1CCCc2ccc(F)cc21	181415658	CXSSXCDGULIKEF-UHFFFAOYSA-N	314.320	1.643	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccccc2)CCC1)[C@@H]1CCCO1	134551480	VLHRFZIHRHMSAS-AWEZNQCLSA-N	302.374	1.726	50	20	DDGD	
CCOCCCC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	47062744	VBTFONQYQXTNMT-NSHDSACASA-N	312.341	1.557	50	20	DDGD	
CC(C)(C)n1nccc1NC(=O)NNC(=O)c1cccnc1	190555076	BRDPYOSUGMLTIC-UHFFFAOYSA-N	302.338	1.500	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1	139303159	BLVYDDZXRCENFW-UHFFFAOYSA-N	323.696	1.355	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2cccc(Cl)c2)n1	42932644	GDMOGSJKRGOUJA-UHFFFAOYSA-N	307.741	1.965	50	20	DDGD	
COCCC1(C(=O)NNC(=O)Cc2ccccc2OC)CC1	130273147	WXFRUBFPAXRHGB-UHFFFAOYSA-N	306.362	1.202	50	20	DDGD	
CCOCc1ccc(CNC(=O)NNc2ncccn2)cc1	46177756	NSQQLEGMSZQTCW-UHFFFAOYSA-N	301.350	1.839	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1ccncc1)c1ccccc1F	81025521	BIKQRMGBMIOFHN-NSHDSACASA-N	301.321	1.714	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCN1CCC(C)CC1	46370202	UPLGGKFPBAQKFS-UHFFFAOYSA-N	318.421	1.671	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccn(-c2ccc(F)cc2)n1	42785790	HHDOFQRXUQXOOF-UHFFFAOYSA-N	319.365	1.306	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)Cc2ccccc2)o1	84380140	VWXNCIDUWCAQTR-UHFFFAOYSA-N	301.346	1.481	50	20	DDGD	
NNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1	192811619	KJYSKSRMBVGNGX-SECBINFHSA-N	316.188	1.836	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccncc1)C1CCCCC1	83233351	GTLVLQMLTLLAEH-GFCCVEGCSA-N	304.394	1.923	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ncccc1Br	192721041	VQQZQSCULSOJFI-UHFFFAOYSA-N	300.156	1.651	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@H]1CC1(Cl)Cl	98106047	ZKPZYCZQMPRFND-SECBINFHSA-N	317.172	1.579	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)c2ccccc2O)c1C1CC1	149628771	VVQJQVGGQHBFRC-UHFFFAOYSA-N	300.318	1.078	50	20	DDGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCNC1	237818686	LDSHKRLHCSLJEF-VIFPVBQESA-N	307.741	1.443	50	20	DDGD	
O=C(NN=C1CCCCc2ccccc21)[C@@H]1CCS(=O)(=O)C1	254528030	MNMXTBSXZQCVGR-CYBMUJFWSA-N	320.414	1.668	50	20	DDGD	
COc1cccc(C=NNC(=O)c2sc(N)nc2C)c1O	254302638	DZKWJXIPBCGQSK-UHFFFAOYSA-N	306.347	1.512	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc(-c2ccco2)nc1O	264828011	YNPQWZYPCNWFEX-UHFFFAOYSA-N	301.302	1.608	50	20	DDGD	
O=C(CSC[C@H]1CCCCO1)NNC(=O)c1cccnc1	263835154	FSZMZBJXPDHVSH-GFCCVEGCSA-N	309.391	1.145	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1n[nH]c2ccc([N+](=O)[O-])cc12	264655813	CCMANGJAAYEHDP-UHFFFAOYSA-N	303.278	1.032	50	20	DDGD	
O=C(NCc1ccc(N2CC=CC2)cc1)NNC(=O)C1CCC1	265929459	OFSUOGXXYHDXLO-UHFFFAOYSA-N	314.389	1.693	50	20	DDGD	
CC(=O)CCC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	266496879	CZIMXFYKMSQKQU-UHFFFAOYSA-N	315.276	1.810	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N(C)C[C@H]1CCOC1	267622322	WQXBPVLTIGEIHD-LLVKDONJSA-N	307.350	1.018	50	20	DDGD	
ICCN1CCOC[C@@H]1[C@@H]1CCCO1	367585831	NOMHGZRIBNSEIE-ZJUUUORDSA-N	311.163	1.301	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@]2(C)CCO[C@@H]2C2CC2)nn1	364161367	SAPLUAINIAOUJV-UKRRQHHQSA-N	305.382	1.616	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)[C@@H]1C[C@]12CCOC2	364088234	XBRUXNQBSBYRBE-BONVTDFDSA-N	322.386	1.058	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NCCCCCCO	271904357	LDHXCOURKZVGEN-UHFFFAOYSA-N	323.393	1.086	50	20	DDGD	
CC(C)[C@@H]1C[C@H](CC(=O)NNC(=O)c2ccncc2)CCO1	272920749	AXVBAGBUQNKHGU-OCCSQVGLSA-N	305.378	1.684	50	20	DDGD	
CC(C)(CCCO)CNC(=O)NNC(=O)c1ccc(C#N)cc1	271776581	JGDGDQROYJZCTE-UHFFFAOYSA-N	318.377	1.301	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(C(F)(F)F)nn1)n1cccn1	270077342	VWBZDQHADQVIBQ-ZETCQYMHSA-N	300.244	1.396	50	20	DDGD	
C=C(C)[C@H](CC(=O)NNC(=O)CNc1ccccc1)OCC	270404834	HOQVPHITTZDKPQ-AWEZNQCLSA-N	305.378	1.617	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2CCCC(F)(F)C2)n1	282604281	HTWFLXYDYLYMHP-NSHDSACASA-N	314.336	1.473	50	20	DDGD	
O=C(NCC(Cl)Cl)[C@H]1CC(=O)N(Cc2ccccc2)C1	288163463	HWNKLGLQEMRMAH-NSHDSACASA-N	315.200	1.955	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-]	281528266	JNTBVYQDMIWSAM-UHFFFAOYSA-N	324.337	1.365	50	20	DDGD	
COCC1(C(=O)NNc2cc(F)c(F)c(F)c2)CCOCC1	377924179	SJPGODJHHFYDOC-UHFFFAOYSA-N	318.295	1.990	50	20	DDGD	
CC(=O)N[C@@H](CC(C)C)C(=O)NNc1nccnc1C1CCC1	286893557	GJWAXZPSPDIPPE-ZDUSSCGKSA-N	319.409	1.738	50	20	DDGD	
Cc1ccc(NNC(=O)NCCC(=O)OC2CCCCC2)nn1	283055527	WDZYQNLBRZSZBM-UHFFFAOYSA-N	321.381	1.677	50	20	DDGD	
C[C@@H](C(=O)NNc1ncccc1F)n1nnnc1C(C)(C)C	285939533	KGKKRFYRUVYYMG-QMMMGPOBSA-N	307.333	1.209	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H]1O[C@@H](C)C[C@@H]1C	282773467	VDBXTKXMCDCOBJ-MQIPJXDCSA-N	320.389	1.589	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNC(=O)c1cc2c(s1)CCC2	809558875	VQXIAKCHTUWDKH-SECBINFHSA-N	324.402	1.587	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1	299202505	AAABHBFWFVQGSW-UHFFFAOYSA-N	313.741	1.834	50	20	DDGD	
Cc1nnc(COCC(=O)NNc2cccc(C#N)c2)s1	802825538	NHCUZHWJHLFJBD-UHFFFAOYSA-N	303.347	1.378	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cncc(C(F)(F)F)c1	295671090	XBLOLWONRNMVJU-JTQLQIEISA-N	317.267	1.431	50	20	DDGD	
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NNc1cccc(Cl)n1	293181518	YKYPLADPSHLHGE-KOLCDFICSA-N	309.801	1.844	50	20	DDGD	
CCc1ccc(CCNC(=O)NNC(=O)[C@H]2CCCCO2)cc1	296356035	JAJUHTUHFYJJSG-OAHLLOKOSA-N	319.405	1.691	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2cnn3ccccc23)n1	805780168	AYASWDYDYUGJTC-UHFFFAOYSA-N	311.349	1.567	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)c1cccc(OC(F)F)c1)C1CC1	804345779	CXLRAONWKRWGBT-AWEZNQCLSA-N	314.288	1.210	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)CCCc1ccccc1)C1CC1	291659362	JANQSUBWIREGST-QGZVFWFLSA-N	304.390	1.972	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCCCc1cnn(C)n1	297540729	YVHTZXSPBWTIRM-UHFFFAOYSA-N	306.345	1.522	50	20	DDGD	
Cc1ccc([C@H](CNC(=O)NNc2ccncn2)N(C)C)cc1	296481106	XLZJTDCLRSHYST-AWEZNQCLSA-N	314.393	1.714	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCC(=O)OC1CCCCC1	801015614	GKGRXYNVNFYRML-UHFFFAOYSA-N	313.398	1.629	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(F)c(O)c(F)c1	295597557	PQMFRQMSUIBTKL-JTQLQIEISA-N	300.261	1.001	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)O1	800332630	ADALCRRHTSCWNF-JTNHKYCSSA-N	320.393	1.719	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)C2=CCCCCC2)C[C@H](C)O1	809981635	RQRFVZIKYSQJEX-KBPBESRZSA-N	323.437	1.524	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)C2=COCC2)c1	802110146	BNPRPFBEBUUUPP-UHFFFAOYSA-N	311.725	1.806	50	20	DDGD	
CCN(CC(=O)NNc1ncccc1F)C(=O)OC(C)(C)C	804218854	JDORNIVNRLFLJF-UHFFFAOYSA-N	312.345	1.921	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NNc2cccc(Cl)n2)n1	814327156	DIPWYIZNQUWXDM-UHFFFAOYSA-N	320.740	1.410	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCO[C@H](OC)C2)cc1	819480289	ALOJIXIYRISINB-DNXIFWLFSA-N	316.357	1.824	50	20	DDGD	
CO[C@@H]1CCC[C@@H](C(=O)NNC(=O)CCc2ccccc2O)C1	814409405	HVCZCULRIOQMJU-ZIAGYGMSSA-N	320.389	1.677	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CSc2ccccc2O)o1	814122232	OKUDTMUXFRTYQW-UHFFFAOYSA-N	317.326	1.410	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2CC[C@@H](C(=O)O)[C@@H](C)C2)n1	814753341	UJZHOGWYXRWUPS-TVQRCGJNSA-N	306.366	1.493	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ncncc2F)c(F)c1	817077743	PIOWDMIWMBLCHE-UHFFFAOYSA-N	308.244	1.298	50	20	DDGD	
Cc1c(Cl)c(C(=O)NNC(=O)CCc2ccccc2)nn1C	817431574	XCRCCNBISSDUFS-UHFFFAOYSA-N	320.780	1.776	50	20	DDGD	
CO[C@@H]1CCC[C@H](C(=O)NNC(=O)COc2ccc(C)cc2)C1	814365607	RIRSATRLUKCBRC-DZGCQCFKSA-N	320.389	1.726	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(N)c(OC(F)(F)F)c1	823798892	IBNJYISVDHVRTH-UHFFFAOYSA-N	306.244	1.131	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	821217185	FUWQXSXZWIBDHU-LLVKDONJSA-N	322.365	1.152	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc2nccn2c1	826447120	OGHKGARWSVDXCL-UHFFFAOYSA-N	320.316	1.271	50	20	DDGD	
C#CCC[C@H](O)CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	490871672	AKSRIZOUMXYUTM-KAMPRCONSA-N	310.357	1.003	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21)c1cccc(Cl)n1	825347609	QRYVHCZBLYSTSH-QZERSUKASA-N	305.765	1.788	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=S)NCC2CCC2)c1	727270249	HOPORGUKSJWBEK-UHFFFAOYSA-N	321.446	1.978	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCCOC2CCCCC2)cn1	491176378	PFGWQFISBBRWFP-NTEUORMPSA-N	302.378	1.793	50	20	DDGD	
CCn1nc(C)c(CNC(=O)NNC(=O)c2ccccc2C)n1	822579829	KHEQFVTYZNKSOF-UHFFFAOYSA-N	316.365	1.059	50	20	DDGD	
CCCCNC(=O)NNC(=O)/C=C/CN(C)CC(F)(F)F	493518546	IIEQRAZLDIICOI-AATRIKPKSA-N	310.320	1.167	50	20	DDGD	
CCC[C@H](O)[C@H](CO)NC(=O)/C(C#N)=C\c1ccc(F)cc1	491162686	TUNGLZYCZYIONS-YTKQLVESSA-N	306.337	1.371	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)cc1F	495407535	LBCYYXQLSCRBIU-UHFFFAOYSA-N	311.313	1.629	50	20	DDGD	
C[C@H]1SCC[C@@H]1NC(=O)NNC(=O)CCOc1ccccc1	825821400	UKVJOWADLVWXCZ-YPMHNXCESA-N	323.418	1.680	50	20	DDGD	
Cn1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)n1	727368292	PHIXQUIYMLLOAE-UHFFFAOYSA-N	311.301	1.150	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc(C(=O)O)s1)C1CC1	827709748	FQMRHGYITFIQML-ZCFIWIBFSA-N	313.404	1.354	50	20	DDGD	
Cc1cc(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)nn1C	826270432	ZXNCXCPKUVUVMA-UHFFFAOYSA-N	313.325	1.057	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc([N+](=O)[O-])o1	826446864	BSPORTJRIBWUIV-UHFFFAOYSA-N	315.249	1.125	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1	494556495	WOLXADRRVSTCMD-UHFFFAOYSA-N	312.301	1.310	50	20	DDGD	
O=C(CNS(=O)(=O)c1cccc(F)c1)NNc1ccccc1	825130687	DRBURLCOXBZXFP-UHFFFAOYSA-N	323.349	1.247	50	20	DDGD	
CC(C)C1(C(=O)NNC(=O)c2nc3ccccc3s2)COC1	828984761	IIHFSDDMKCGHSN-UHFFFAOYSA-N	319.386	1.730	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NN=Cc1ccc(C#N)o1	494122343	AEMSKHMDEHPIBI-UHFFFAOYSA-N	320.349	1.906	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1cc(OC)ccc1C(=O)OC	731493850	NKTIYMYCBUBAIR-MDZDMXLPSA-N	304.302	1.864	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)C1(C)CCCCC1	495523960	HDNUJVGFVVTHNB-UHFFFAOYSA-N	313.398	1.629	50	20	DDGD	
CS(=O)(=O)c1ccc(/C=C(\C#N)C(=O)N2CCCC2)cc1	490610900	NUURUNLYLSXQOB-JLHYYAGUSA-N	304.371	1.619	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)c2ncon2)[C@@H]1Oc1ccccc1	901289826	MFYRYGLUZQSIAV-STQMWFEESA-N	316.317	1.412	50	20	DDGD	
C[C@@H](C[C@H](O)c1ccc(F)cc1)NCc1cccc(B(O)O)c1	585035038	PBBLFVZTGMNMRL-SJCJKPOMSA-N	317.169	1.107	50	20	DDGD	
Cc1ccc2c(c1)C(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)CC2	730947621	ABQANTHFSJZXLO-GFCCVEGCSA-N	306.387	1.196	50	20	DDGD	
C[C@@H](C#N)C(=O)NNC(=O)c1ccc(Br)s1	736668595	XWENUCGWUXDWKW-YFKPBYRVSA-N	302.153	1.431	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)/C=C\C2CCOCC2)cc1	491873267	XZKABXCXNNMBRK-DAXSKMNVSA-N	318.373	1.504	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)Oc2cccnc2)c(O)c1	735516403	NEVRXDNMJSMJDR-NSHDSACASA-N	315.329	1.324	50	20	DDGD	
OB(O)c1cccc(-c2noc(-c3ccn(C4CCCC4)n3)n2)c1	585053448	KUBUJDVVRIFRDH-UHFFFAOYSA-N	324.149	1.395	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)C(C)(C)c1ccc(F)cc1	734978532	LFPGSFYUAGVPGW-UHFFFAOYSA-N	305.353	1.874	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1F	730577401	SCWCBLOYEGFNPB-SECBINFHSA-N	316.329	1.240	50	20	DDGD	
CCc1ccc([C@@H]2CCN(CC(=O)NNC(=O)C(C)C)C2)cc1	830014649	XUDVIEZZGYLKBY-MRXNPFEDSA-N	317.433	1.842	50	20	DDGD	
OB(O)c1cccc(-c2noc(CC3CCSCC3)n2)c1	585053277	KBAILWPZLIJXLC-UHFFFAOYSA-N	304.180	1.102	50	20	DDGD	
O=C(NN[C@H](C(=O)NC1CC1)c1ccccc1)C1CCOCC1	905814631	CDHBVAWOSJMCSN-HNNXBMFYSA-N	317.389	1.054	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)Cn2cnc3ccccc32)cn1	732711015	YJTSAHOUSUNRBN-UHFFFAOYSA-N	310.361	1.964	50	20	DDGD	
CC(C)(C(=O)OCC(=O)NNC(=O)c1ccccc1)C1CCC1	838157536	RLWDOVLAODUIBK-UHFFFAOYSA-N	318.373	1.817	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1ccc(C#N)cc1	732304267	UVTPPQIXOGUWJK-UHFFFAOYSA-N	315.354	1.719	50	20	DDGD	
CC(=O)NNC(=O)[C@@H](CC(C)C)N1Cc2ccccc2C1=O	905063480	DJZVEULQHAGIGV-CQSZACIVSA-N	303.362	1.224	50	20	DDGD	
CC[C@](C)(C=NNC(=O)c1ccc(-n2cnnn2)cc1)OC	834930340	DPOLLWAVHIEFHD-CQSZACIVSA-N	302.338	1.193	50	20	DDGD	
CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(B(O)O)c(F)c1	584955902	RNNCVEAXLODYTL-IAQYHMDHSA-N	307.174	1.546	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNC(=O)c2ccccc2C)CC1=O	839472678	FZCKXLZICBIIQM-LBPRGKRZSA-N	303.362	1.015	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	831046975	JNQRTXIMBGOCGD-GXFFZTMASA-N	307.350	1.663	50	20	DDGD	
O=C(Cc1ccccc1OC1CCCC1)NNc1nc[nH]n1	839770802	ZRDJJPBKDWNNQF-UHFFFAOYSA-N	301.350	1.812	50	20	DDGD	
C[C@H](c1nccs1)N1CCN(S(=O)(=O)CCl)CC1	831116209	YNXGINHQEBLFIZ-SECBINFHSA-N	309.844	1.348	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2O)n[nH]1	918358855	BABYTMUWJLOEDP-UHFFFAOYSA-N	308.725	1.406	50	20	DDGD	
Cc1[nH]c(C(=O)O)c(C)c1C(=O)NNC(=O)NCc1ccco1	832845451	FQOMRNAESZESSM-UHFFFAOYSA-N	320.305	1.067	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(Cl)cc1O	839555123	KJOGBXOYMXNHQD-UISBYWKRSA-N	310.737	1.374	50	20	DDGD	
CC(C)(C)n1cc(C(=O)C(=O)NNC(=O)c2ccccc2)cn1	916727906	SURASJIHJBMNFW-UHFFFAOYSA-N	314.345	1.282	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2CCCc3c2cnn3C)n1	915951544	NUYDAZHJGYOORM-UHFFFAOYSA-N	300.366	1.090	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]32)nc1	832649889	RXHVBYVHOSRGMX-XQQFMLRXSA-N	318.377	1.228	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H]2CCC[C@@H](C(=O)O)C2)n1	833000835	PSNDQIKRUQYZJO-RKDXNWHRSA-N	312.757	1.773	50	20	DDGD	
CC(C)c1ccc(NNC(=O)CCn2ncn(C)c2=O)cc1	837053655	RCMRBECVOXRZHV-UHFFFAOYSA-N	303.366	1.239	50	20	DDGD	
CN1CCN([C@H](CNC=C(C#N)C#N)c2cccs2)CC1	747829162	ZYJAHWJLZYRASW-CQSZACIVSA-N	301.419	1.557	50	20	DDGD	
COc1ccc(NNC(=O)NCCc2cnc(C)cn2)nc1	836687491	SOGJULKEXVQRJW-UHFFFAOYSA-N	302.338	1.057	50	20	DDGD	
CN(C)c1nccc(NNC(=O)CCCc2ccccn2)n1	740114400	WDHFIILLVHXGFL-UHFFFAOYSA-N	300.366	1.404	50	20	DDGD	
C[C@H](CC(=O)c1ccccc1F)C(=O)NNc1cnccn1	743412887	WDUKRXJYSCYIAD-SNVBAGLBSA-N	302.309	1.968	50	20	DDGD	
O=C(NN[C@@H](C(=O)NC1CC1)c1ccccc1)[C@H]1CCCCO1	842150294	CNMGYMWCEMCBMU-HUUCEWRRSA-N	317.389	1.196	50	20	DDGD	
CCC(=NNC(=O)c1cccc(S(C)(=O)=O)c1)[C@@H]1CCOC1	741847167	HKUVENFNCAYNJG-GFCCVEGCSA-N	324.402	1.622	50	20	DDGD	
C[C@@H](CN)CNC(=O)NNC(=O)c1ccc(Cl)cc1F	841961871	RVALWSSGENEALD-ZETCQYMHSA-N	302.737	1.018	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ncncc1F)C(=O)OC(C)(C)C	843896463	XBAXNBXXKAVZIT-SNVBAGLBSA-N	312.345	1.673	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=C1C(=O)Nc2ccc(Cl)cc21	842551556	CVSTYNZQBMUDDD-IONNQARKSA-N	307.737	1.537	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1cccc2cccnc12	740746426	CFKJSATUTFXHTC-UHFFFAOYSA-N	305.301	1.658	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCc1ccc(OC(F)F)cc1	910172756	DVVAUIWHJAGFLE-JTQLQIEISA-N	302.321	1.564	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C/C=C/c1ccccc1	916363089	QIIMIOONMIZPDU-MXSUJNLRSA-N	301.390	1.770	50	20	DDGD	
CO[C@H](C=NNC(=O)CNC(=O)c1cccs1)CC(C)C	841623312	GGVFSAKVRNVZRX-NSHDSACASA-N	311.407	1.641	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc(OC)c(OC)c1	916354910	MANFRPIAFDBUKJ-UHFFFAOYSA-N	307.394	1.886	50	20	DDGD	
C#CCCOc1ccc(C=NNC(=O)[C@H](C)OCCOC)cc1	748259881	YSFZFLVIUAYLAO-AWEZNQCLSA-N	318.373	1.590	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc2ccccc2n1C	843646366	PQISKKLHTVGACY-ZYHUDNBSSA-N	301.346	1.364	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1nc(F)ccc1Br	848144641	ZCSFETWWCWQSRD-UHFFFAOYSA-N	316.130	1.544	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1ccc2c(c1)OCO2)[C@@H]1CCOC1	841604487	LNGSQSAWGLFKKZ-RISCZKNCSA-N	306.318	1.182	50	20	DDGD	
O=C(Cn1nc2n(c1=O)CCCC2)NNc1cccc(Cl)c1	845145137	SMOLPFAKKVNPCL-UHFFFAOYSA-N	321.768	1.178	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H]2CCn3ccnc3C2)c1	749263151	PWWHPKCUQNWHSP-SNVBAGLBSA-N	304.325	1.737	50	20	DDGD	
Cn1ncc2c1CCCC2=NNC(=O)Cc1cn2ccccc2n1	747638747	SDHPHJXQOSHNHT-UHFFFAOYSA-N	322.372	1.467	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@]1(C)CCc2ccccc21	843844952	BLGUFALEUZCXMB-OAHLLOKOSA-N	323.487	1.749	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1	917180695	MDNDQYCHZVJDTI-NSHDSACASA-N	309.410	1.361	50	20	DDGD	
COc1ccc(CC(C)=NNC(=O)NCC(F)(F)F)cn1	841619589	PRHZVHLPFUTQGZ-UHFFFAOYSA-N	304.272	1.870	50	20	DDGD	
CCOc1ncccc1C(=O)NNc1nc(C)cc(OC)n1	746625957	SHTFGRYTNKPCJI-UHFFFAOYSA-N	303.322	1.344	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H]2NCCOc3ccccc32)n1	911882889	KZHFVJHIYGRSJV-AWEZNQCLSA-N	313.361	1.260	50	20	DDGD	
CCCc1ncc(C(=O)NNc2ccnc(N(C)C)n2)s1	743484384	OJJRCWOTNODMPG-UHFFFAOYSA-N	306.395	1.709	50	20	DDGD	
CCCCNC(=S)NNC(=O)CCN1CCCCCC1	916116784	BPFRCNTUSGDVNZ-UHFFFAOYSA-N	300.472	1.548	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)NCc1cc[nH]n1	916637116	CHECBVHKSIQDRB-UHFFFAOYSA-N	323.356	1.636	50	20	DDGD	
C[C@H]1CC/C(=C/C(=O)NNc2ccccc2S(N)(=O)=O)C1	842262765	XCZKXMYNXNDPRM-RGAIUGGKSA-N	309.391	1.524	50	20	DDGD	
CC[C@@H](C)c1nc(C)c(CC(=O)NN(C)CCOC)c(C)n1	848055732	GNJXYJKETCLPMV-LLVKDONJSA-N	308.426	1.759	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1cnnc(O)c1	854943147	FQPXJXCCGCOIJM-UHFFFAOYSA-N	308.729	1.506	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc2cc(OC)ccc2nc1C	921040918	OWVUXXBYBDCXHB-UHFFFAOYSA-N	316.361	1.906	50	20	DDGD	
CCC(=NNC(=O)C(=O)NC1CC1)c1ccc(N(C)C)cc1	759197060	PJGSMFUCYMGRAQ-UHFFFAOYSA-N	302.378	1.262	50	20	DDGD	
COC(=O)[C@@H]1CC[C@@H]2C(=O)N(CCSSC)C(=O)N2C1	925339006	OMTNVLKFTGKVDT-RKDXNWHRSA-N	318.420	1.213	50	20	DDGD	
COC[C@H](C)CS(=O)(=O)NC[C@]1(C)C[C@H]1Br	856754234	DTKAHSIHJFEXDB-AEJSXWLSSA-N	314.245	1.362	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H]2CC[C@H](C3CCC3)CC2)nc1O	856793284	IGLHCYXRVVREFC-HAQNSBGRSA-N	305.382	1.935	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)CCc2ccon2)cc1	854381358	INCBNJPWFVXFRH-UHFFFAOYSA-N	317.349	1.526	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C=C1CCC(C)CC1	854281970	ODAVVRNUZXHKEH-UHFFFAOYSA-N	313.467	1.997	50	20	DDGD	
CCC(=O)c1cc(C(=O)NNc2nccc(OC)n2)ccc1F	756923686	IIFNFVRNOOAULF-UHFFFAOYSA-N	318.308	1.974	50	20	DDGD	
CC1CC(CNC(=O)NNC(=O)c2ccc3c(c2)OCCO3)C1	856907057	LZPQVLVWBYEWHJ-UHFFFAOYSA-N	319.361	1.448	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)[C@@H]1CCCN(C(N)=O)C1	928336702	ZBQMKSLQNYGIKL-SNVBAGLBSA-N	310.785	1.882	50	20	DDGD	
CN(CCn1ccc([N+](=O)[O-])n1)NC(=O)OCc1ccccc1	859388729	ZYFNPPKNOYSUKX-UHFFFAOYSA-N	319.321	1.565	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccc3c(c2)OCCO3)o1	752274337	MJSUZRVXQTXFQP-UHFFFAOYSA-N	317.301	1.826	50	20	DDGD	
COc1cccc([C@@H](OC)C(=O)NNC(=O)c2cccn2C)c1	854287526	FHRLVZJTDGJPLH-CQSZACIVSA-N	317.345	1.182	50	20	DDGD	
CCNC(=O)NN=Cc1cc2c(cc1Br)OCO2	920828011	USKGQGPDMSZSPU-UHFFFAOYSA-N	314.139	1.831	50	20	DDGD	
Cc1ccccc1COCC(=O)NNC(=O)OCC(F)(F)F	857725097	KGKZOHVFSQXNST-UHFFFAOYSA-N	320.267	1.831	50	20	DDGD	
C[C@]1(CN[C@H](C2CC2)[C@H]2CNCCO2)C[C@@H]1Br	857253136	HDWBBFYJEAHIIR-YVECIDJPSA-N	303.244	1.517	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CCCN(C)CC2)cc1	758099054	HUTNDILVPSGUSG-UHFFFAOYSA-N	302.378	1.521	50	20	DDGD	
CCOCCn1cc(C(=O)NNc2cccc(Cl)n2)cn1	857268352	HDNALKHTAPBTTR-UHFFFAOYSA-N	309.757	1.725	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2(O)CCCCC2)cc1OC	754974500	NGONJCUWZNLCQQ-UHFFFAOYSA-N	322.361	1.160	50	20	DDGD	
CO[C@H]1COCC[C@H]1CNC(=O)NNc1cc(F)ccc1C	854105808	KAXZHHGQXCRBQF-FZMZJTMJSA-N	311.357	1.812	50	20	DDGD	
CC(=O)N(c1nc(C=NNC(=O)c2cc[nH]n2)cs1)C1CC1	853392651	PWGGXEIDPJYICQ-UHFFFAOYSA-N	318.362	1.145	50	20	DDGD	
CCOCCn1cc(C(=O)NNc2ncc(F)cc2F)cn1	857282950	LMYCCBQPLZDBFE-UHFFFAOYSA-N	311.292	1.350	50	20	DDGD	
CC(C)NC(=O)[C@H](C)NC(=O)NC[C@]1(C)C[C@@H]1Br	856960430	PARXEBUQLQYSDK-AUTRQRHGSA-N	320.231	1.372	50	20	DDGD	
Cc1nnc2n1C[C@H](C(=O)NNc1ccccc1Cl)CC2	750789861	XNIJNDDYCQRWDW-SNVBAGLBSA-N	305.769	1.946	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1ccc(C#N)[nH]1	752128025	WOWZKOZMAZLOGX-UHFFFAOYSA-N	304.331	1.047	50	20	DDGD	
CCCOc1ccc(NCc2ccc(B(O)O)cc2)cc1OC	863892550	ZVBNPNITYFOJRP-UHFFFAOYSA-N	315.178	1.776	50	20	DDGD	
CCc1ccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1Cl	861105995	LKFAMAIQCSQNLA-NSHDSACASA-N	324.768	1.334	50	20	DDGD	
Cc1ccnn1CC(=O)NNc1ncnc(Cl)c1C(C)C	862001396	WWUKDXCGUTWHNO-UHFFFAOYSA-N	308.773	1.902	50	20	DDGD	
CS(=O)(=O)c1ccc(F)c(C(=O)N2CC=C(C#N)CC2)c1	767176755	JQCHHIAMVHNRJS-UHFFFAOYSA-N	308.334	1.525	50	20	DDGD	
N#Cc1ccc(NCC(=O)NNCC(F)(F)C(F)(F)F)cc1	863094733	QCAGWCCEVJSHDN-UHFFFAOYSA-N	322.237	1.789	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1C(F)(F)F	863146027	SLNJEACMXFYUJG-NSHDSACASA-N	313.279	1.824	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1csc(CO)n1)c1ccccc1	865630659	FUCMBBJIMDRLBM-UHFFFAOYSA-N	319.386	1.374	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C1C[C@@H]2CCCc3cccc1c32	863187467	MJCSBUXPGWWVEG-NSHDSACASA-N	306.387	1.375	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)c1ccccn1	764047129	QQWCNZLBVLVKNM-UHFFFAOYSA-N	303.343	1.341	50	20	DDGD	
Cc1ccc(CC(=O)NNc2nnc(C)c(O)n2)c(Cl)c1	762439944	FPSRGSMZMLPJIU-UHFFFAOYSA-N	307.741	1.533	50	20	DDGD	
C[C@H](NNC(=O)c1ccc2c(c1)OCC(=O)N2)C(F)(F)F	862305225	KXIYDCDPLUQYLQ-LURJTMIESA-N	303.240	1.203	50	20	DDGD	
C[C@@H](NNC(=O)CSc1nnc(S)s1)C(F)(F)F	862311381	NHGXLUYKDJJGQF-GSVOUGTGSA-N	318.371	1.491	50	20	DDGD	
O=C(NN=C1CCc2cc(F)c(Cl)cc21)C(=O)N1CCCC1	863086119	YCGJJOVLDXLMLX-UHFFFAOYSA-N	323.755	1.868	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NC[C@H]2COCCN2)cc1	861683175	GLLPGXPHWDZUPG-AWEZNQCLSA-N	306.410	1.599	50	20	DDGD	
Cc1cccc(CO[C@H](C)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	869067872	JEUQYZRUTAPZMR-GUTXKFCHSA-N	320.389	1.473	50	20	DDGD	
CC(C)(C)[C@H](O)C(=O)NNC(=O)c1cc(-c2ccccc2)on1	764660635	YMYPPNKDMFLOER-CYBMUJFWSA-N	317.345	1.510	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccc(-n2cnc3ccccc32)nc1	768266936	XKGQBXQVZVWFPH-UHFFFAOYSA-N	321.340	1.592	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C	860605709	NEWCIKZSWQZYRH-ZHPDPMBESA-N	306.362	1.976	50	20	DDGD	
CCOCn1nc(C)c(CC(=O)N2CC=C(C#N)CC2)c1C	867108330	NECBCYCFUWVOFL-UHFFFAOYSA-N	302.378	1.719	50	20	DDGD	
COc1cc(C#N)ccc1NC(=O)C(=O)NNc1ccccc1	766256481	KTFFXLFVVRWXOI-UHFFFAOYSA-N	310.313	1.649	50	20	DDGD	
COc1ccnc(NNC(=O)C(=O)Nc2c(C)cccc2C)n1	764816994	ZURIRXFJAXMVAA-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
C[C@H](NNC(=O)CCc1nc(-c2ccco2)no1)C(F)(F)F	862308083	XIEIBRBBEHCCOU-ZETCQYMHSA-N	318.255	1.834	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NCCc2cnccn2)nn1	1116477060	LTPPXWSUCCAENH-UHFFFAOYSA-N	315.381	1.433	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(Cl)cc1OC(F)F	762959116	JOYFODUWSXPYIW-UHFFFAOYSA-N	323.683	1.741	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNC(=O)Cc1cccnc1	764155995	KQXJWHIJGOCCLJ-JTQLQIEISA-N	315.377	1.305	50	20	DDGD	
Cc1ccc(F)c(C(=O)NNc2ccnc(N(C)C)n2)c1F	767150442	WPUQXYVJTUMJBP-UHFFFAOYSA-N	307.304	1.886	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H](CC)CO)cc1	779579865	VBDBSBQLXRQTMF-VXGBXAGGSA-N	324.377	1.019	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@]1(C)Oc2ccccc2NC1=O	878717071	USUVEPZWDXIHRK-MRXNPFEDSA-N	319.361	1.360	50	20	DDGD	
N#CSCCCNC(=O)c1ccnc(O[C@H]2CCOC2)c1	773589508	XAMUTFARAYKHNQ-LBPRGKRZSA-N	307.375	1.583	50	20	DDGD	
C=C[C@H](CC(=O)O[C@@H](C)C(=O)NNC(=O)CC)c1ccccc1	772221774	UCPWSIYEYHBOIW-QWHCGFSZSA-N	318.373	1.835	50	20	DDGD	
CON(C)C(=O)CNC(=O)NNc1cccc(F)c1Cl	875676846	MPLVKZRDKAWULE-UHFFFAOYSA-N	304.709	1.125	50	20	DDGD	
CCNC(=O)C1(CNC(=O)NNc2cccc(C)n2)CCC1	875530822	XMYKVISQIRQMND-UHFFFAOYSA-N	305.382	1.323	50	20	DDGD	
COCCc1ncc(C=NNC(=O)NCc2ccco2)s1	872344656	IFXULTMOOKJOBI-UHFFFAOYSA-N	308.363	1.758	50	20	DDGD	
CC(C)[C@](C)(O)C(=O)NNC(=O)c1ccc2ccccc2n1	770202169	MJHFMRTZZVKXMV-INIZCTEOSA-N	301.346	1.403	50	20	DDGD	
CC(Cc1cccc(C)c1)=NNC(=O)N[C@H]1CCS(=O)(=O)C1	872345645	SMJAVCJNPFOPKZ-AWEZNQCLSA-N	323.418	1.400	50	20	DDGD	
COCc1ccccc1S(=O)(=O)NNC(=O)C(C)(C)C	778558427	XFZFMPVRFRROJI-UHFFFAOYSA-N	300.380	1.189	50	20	DDGD	
Cc1cccnc1NNC(=O)c1ccc(CN2CCOCC2)o1	879738537	SDVRIDGQDMUUIU-UHFFFAOYSA-N	316.361	1.572	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)Nc1ccccc1C)[C@@H]1CCCO1	773545639	CDWZIINWDYDFAT-OCCSQVGLSA-N	316.361	1.512	50	20	DDGD	
O=C(C[C@H](O)c1cccc(F)c1)NNC(=O)c1ccccc1F	772557288	GRBAPFUEEZLASV-AWEZNQCLSA-N	320.295	1.850	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2cccnc2Cl)n1	773665123	VZDFJOUWKSQTLB-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CC23CCSCC3)cc1O	882050956	KSBRXUYWPWIDMU-GFCCVEGCSA-N	320.414	1.995	50	20	DDGD	
CN(NC(=O)CCCCCCNC(=O)OC(C)(C)C)C(N)=O	778412332	USEVSSHPESJJNM-UHFFFAOYSA-N	316.402	1.503	50	20	DDGD	
C[C@H]1C[C@H](CCNC(=O)NNc2ccc(C#N)cn2)CCO1	888791357	KYDJXLMDLIHOQN-NWDGAFQWSA-N	303.366	1.785	50	20	DDGD	
Nc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccccc1[N+](=O)[O-]	771627574	GLJFQQFUHZQCKW-UHFFFAOYSA-N	317.261	1.842	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1csc(C(C)C)n1	772076527	PZODYAXAWYOXER-MRVPVSSYSA-N	313.379	1.369	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1sccc1SC	772098563	SDJPUCUSSFVIID-SSDOTTSWSA-N	316.404	1.573	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cc(Br)cs1	779820746	JIZWEIZAHHADRK-UHFFFAOYSA-N	320.168	1.317	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F)C1CCC1	785411382	MVMBVGXPQUHJAX-IMSYWVGJSA-N	306.284	1.290	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1ccc(-c2n[nH]c(C3CC3)n2)cc1	780753559	IVOWTENJIJOJHG-UHFFFAOYSA-N	320.356	1.923	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cc(C)cc(OC)c1O	884401531	SKUSSYGMMUSPAU-UHFFFAOYSA-N	307.394	1.891	50	20	DDGD	
O=S(=O)(CCCCl)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1	882005931	IJJFUGGUTFWQFF-TZMCWYRMSA-N	320.886	1.894	50	20	DDGD	
N#Cc1cccc(NNC(=O)[C@@]2(O)CCc3ccccc3C2)c1	786426523	IJXAGVRJHFLCIF-GOSISDBHSA-N	307.353	1.921	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cnc2[nH]ncc2c1	1123936388	MWQIPAOBTZEOKM-UHFFFAOYSA-N	309.198	1.390	50	20	DDGD	
COc1ccc(Br)c(C=NNC(=O)C(C)(C)O)c1	785463311	UWAKNZXKQRNXCY-UHFFFAOYSA-N	315.167	1.679	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](C)OC[C@@H]2CCCCO2)nc1	781527182	BPFAUFGPNWJWBF-YPMHNXCESA-N	309.366	1.508	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@H](C)OC[C@@H]1CCCO1	788181482	SOCWLVCNLGDXOR-JQWIXIFHSA-N	312.341	1.862	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cc([N+](=O)[O-])cn2C)c1	781039388	WLOYEGRRYITYFG-UHFFFAOYSA-N	318.289	1.477	50	20	DDGD	
CC[C@@H]1C[C@H](CC(=O)NNC(=S)N[C@H](C)C2CC2)CCO1	781697634	OTEDHJSWKDXITE-NQBHXWOUSA-N	313.467	1.876	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccn(CC(C)C)n1	895512254	KHDXKIYNOIZOSJ-UHFFFAOYSA-N	300.362	1.922	50	20	DDGD	
C[C@@H]1CCN(CCNC(=O)NC[C@]2(C)C[C@H]2Br)C1	895924148	RLCTYWXIJTWYBR-WZRBSPASSA-N	318.259	1.801	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CCc1cnc2ccccc2c1	792103600	QGFXDRXHDVVQBG-UHFFFAOYSA-N	300.362	1.906	50	20	DDGD	
CSSCCNC(=O)CNC(=O)c1ccc(O)cc1	791113614	KRXSZTUYYOIMNL-UHFFFAOYSA-N	300.405	1.249	50	20	DDGD	
CCN(C)c1ccc(C=NNC(=O)[C@@H](C)OCCOC)cn1	790166981	GHYVBRNFMYWDJP-GFCCVEGCSA-N	308.382	1.039	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	795985003	DRVZXQJOQOKPGH-GVXVVHGQSA-N	316.398	1.173	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccnc(-n3cccn3)c2)n1	794071871	GUQLNUSFYVJJCM-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)COC(F)F)cc1C	794614217	VHGCJIWMJSKOIH-UHFFFAOYSA-N	302.277	1.069	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)c1cccc(OC(F)F)c1)C1CC1	791577869	OVGIGNNHDOHXPM-LLVKDONJSA-N	314.288	1.474	50	20	DDGD	
Cc1cc(/C=C(/C#N)S(N)(=O)=O)ccc1Br	799892708	AHWBLPWKWWOUOF-UITAMQMPSA-N	301.165	1.911	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2cn(C)nc2-c2ccncc2)n1	794568170	VZRYWUQDEQBEEL-UHFFFAOYSA-N	320.356	1.949	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@H](O)c2ccccc2)n1	793232297	VHTWEAWOBGRGCU-AWEZNQCLSA-N	314.345	1.068	50	20	DDGD	
CC(C)CO[C@@H]1CC(=NNC(=O)C[n+]2ccccc2)C1(C)C	794457220	LZHGBYUDMCWTCM-OAHLLOKOSA-O	304.414	1.917	50	20	DDGD	
Cc1n[nH]cc1C1CCN(C(=O)NNC(=O)C(C)(C)C)CC1	790714652	PFNIPMFEXIVAAX-UHFFFAOYSA-N	307.398	1.684	50	20	DDGD	
CCOc1c(Cl)cc(C=NNC(=O)CCO)cc1OC	1318931980	VFBJQWGQNYBMDP-UHFFFAOYSA-N	300.742	1.580	50	20	DDGD	
CN(C)[C@@H]1CCCC[C@@H]1NC(=O)NNc1cncc(Cl)n1	1318409699	XUYTXYBBZLFEKW-VHSXEESVSA-N	312.805	1.629	50	20	DDGD	
O=C(CNS(=O)(=O)c1ccccc1)NNc1ccccc1	1323922648	CMRCCRIJHIEHBN-UHFFFAOYSA-N	305.359	1.108	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)N[C@@H]1CC[C@H]2CCC[C@H]2C1	1325309877	BIWYNZBNDBVZMA-KWCYVHTRSA-N	308.426	1.285	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H](C)c1ccccc1OC(C)C	1323431659	HGQUPFNVBGZJFC-JTQLQIEISA-N	323.349	1.038	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)no1	1253839333	YCCAUYIPZSYRTE-UHFFFAOYSA-N	317.349	1.475	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1c(C)nc2sccn12	1332321097	YFWXYLOSTPCSIT-GHMZBOCLSA-N	306.391	1.969	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCc1nc(-c2ccccc2)no1	1330262634	XWOIORUOMVPKFU-NSHDSACASA-N	304.350	1.013	50	20	DDGD	
C=CC[C@H](NC(=O)[C@@]1(C)C[C@H]1Br)C(=O)OCC	1333269921	VWJVTKVBOHNADF-SBMIAAHKSA-N	304.184	1.784	50	20	DDGD	
NC(=O)C[C@H](NC(=O)C1CCC(Cl)CC1)C1CCOCC1	1351519024	BHORHFKRDPBGME-BPCQOVAHSA-N	316.829	1.571	50	20	DDGD	
CCCCS(=O)(=O)/C(C#N)=C\c1cccc(-c2nn[nH]n2)c1	1604190984	XHWGRDOVTQHABJ-LCYFTJDESA-N	317.374	1.946	50	20	DDGD	
Cc1c(NNC(=O)CCc2ncccn2)cccc1C(=O)O	1600052899	WMYMFDNWTBRNON-UHFFFAOYSA-N	300.318	1.559	50	20	DDGD	
CCn1cc(NC(=O)NNc2ccc(C(=O)O)cc2F)cn1	1605921514	GPUMBRMLCLUARW-UHFFFAOYSA-N	307.285	1.889	50	20	DDGD	
O=C(NC[C@H](F)C(=O)O)NNC(=O)Nc1ccc(Cl)cc1	1601520941	LLCXIHIPDAPQIJ-QMMMGPOBSA-N	318.692	1.098	50	20	DDGD	
CCCC[C@H](SCC(=O)NNC(=O)C(C)(C)C)C(=O)O	1605248951	BXRCAFMPXFZAQK-VIFPVBQESA-N	304.412	1.557	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2ccsc2C(=O)O)c1	1607894883	JWXZMUMCQYITSC-UHFFFAOYSA-N	320.330	1.232	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2cc3c([nH]2)CCOC3)cc1	1608782027	XWSIDAKKDDJUEA-UHFFFAOYSA-N	315.329	1.471	50	20	DDGD	
CCn1nc(C)cc1C(=O)NNc1ccc(C(=O)O)c(F)c1	1610088598	XMCZMXVIFYMJTQ-UHFFFAOYSA-N	306.297	1.806	50	20	DDGD	
O=C(NNC(=O)C12CCC(C(=O)O)(CC1)C2)c1ccccc1F	1610699812	FNBUUZDGSGEKRX-UHFFFAOYSA-N	320.320	1.622	50	20	DDGD	
Cc1cccc(C)c1C=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549315395	BISGBAMVYNFLEY-GDBMZVCRSA-N	301.390	1.617	50	20	DDGD	
CC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)O	1801957744	NUPVXFMDQLICBG-RMPHRYRLSA-N	302.802	1.023	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@@H]2C=NNC(=O)c2ccnnc2)cn1	1552452789	GRULXOWNVROUGF-BXUZGUMPSA-N	314.349	1.186	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2C[C@@H]3CC[C@H](C2)N3)cc(C#N)n1C	1579530042	QTBHNDYBWQPUDO-NJDATOCZSA-N	309.373	1.075	50	20	DDGD	
Cc1cc(Br)cnc1NNC(=O)[C@@]1(C)CCNC1	1579552538	BWZZHPXZGUVLQE-LBPRGKRZSA-N	313.199	1.595	50	20	DDGD	
Cn1ccc(NNC(=O)[C@H]2CNC[C@@H]2c2ccc(Cl)cc2)n1	1579972823	MAJFZJCAZPBMRJ-OLZOCXBDSA-N	319.796	1.520	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)[C@@H]2CC2(F)F)C1	1843852148	GAKJBJQOQKNCAR-JGVFFNPUSA-N	310.703	1.379	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@@H]1NCCc2ccccc21	1580737135	LICIWZZEBGBACT-CQSZACIVSA-N	318.446	1.169	50	20	DDGD	
CC(C)(C#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](F)Cl	1847346433	AOYQYEVAHUIZPX-LPEHRKFASA-N	301.749	1.272	50	20	DDGD	
O=C(C[C@@H]1Cc2ccccc2O1)NNc1ncccc1C(=O)O	1594678779	IKXJRNSMHWITMK-NSHDSACASA-N	313.313	1.617	50	20	DDGD	
CCOC(=O)N(C)CCCC(=O)NNc1ccc(C(=O)O)cn1	1596641004	XXPGVJHVWSETFE-UHFFFAOYSA-N	324.337	1.091	50	20	DDGD	
CCn1ncc(C(=O)NNc2ccc(C(=O)O)cc2OC)c1C	1597953346	CBNYPZYJBIVUSV-UHFFFAOYSA-N	318.333	1.675	50	20	DDGD	
N#CC1(CC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)CC1	1592666509	GGAOTFVMSSHQMT-UHFFFAOYSA-N	318.728	1.052	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C/c1ccc(OCC(=O)O)cc1	1595975087	SWMRBTIPVPRKLO-MDWZMJQESA-N	309.343	1.839	50	20	DDGD	
CNC(=O)/C(C#N)=C/c1cc(C(=O)O)ccc1Br	1776125226	ALOJNTSXQVFSNJ-WEVVVXLNSA-N	309.119	1.800	50	20	DDGD	
CN(C)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl	1796806116	SLOLEWLKMYXNKB-NOHGZBONSA-N	319.808	1.111	50	20	DDGD	
CNc1ccc(C(=O)NNc2nc(C)cc(C)n2)cc1[N+](=O)[O-]	14511159	ZCDRQWGQIYXTOM-UHFFFAOYSA-N	316.321	1.800	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccccc2O)ccc1C	17575912	SQXNXMSBPXSWTO-UHFFFAOYSA-N	300.314	1.784	50	20	DDGD	
CCc1nnsc1C(=O)NNc1nccc(N(CC)CC)n1	155758829	FJNFOTIJBJZZKW-UHFFFAOYSA-N	321.410	1.494	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNc2ccc(C(N)=O)nn2)cc1	154316497	DPSJTVVVRUZNCC-UHFFFAOYSA-N	313.361	1.630	50	20	DDGD	
O=P(c1ccccc1)(c1ccccc1)c1cccc(B(O)O)c1	1772768940	RGECTLDNPAOXTJ-UHFFFAOYSA-N	322.109	1.006	50	20	DDGD	
CC(=O)N(C)CC(=O)NNc1nc(-c2ccc(Cl)cc2)no1	112693054	ACPJNUFLSGNBLZ-UHFFFAOYSA-N	323.740	1.311	50	20	DDGD	
N#CC1(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CCCC1	52736818	IVTZPFNCCGBWNQ-ZDUSSCGKSA-N	315.329	1.058	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1nnc2n1CCCCC2	117547377	QMKOZPNFNOXZTN-SECBINFHSA-N	311.411	1.043	50	20	DDGD	
COC(=O)[C@H](C)Oc1ccc(/C=C(\C#N)C(N)=C(C#N)C#N)cc1	176953539	PUXXPSHSCRXNEA-DELQEKLWSA-N	322.324	1.794	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NNC(=O)C(C)(C)C)c1ccccc1	111499630	VVMGTQOBSRTBBH-LBPRGKRZSA-N	320.393	1.588	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NNC(=O)c1ccc(Cl)cc1F	175829136	JXFIHYXBTLKZGG-ONGXEEELSA-N	300.717	1.665	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc2ccc(C)cc2[nH]1	65205772	JVRAVSKEQMBNHD-UHFFFAOYSA-N	304.350	1.457	50	20	DDGD	
Cc1cc(C)c(OCC(=O)NNC(=O)NCC2CC2)c(C)c1	65197169	UHMFCYUPHQPIGX-UHFFFAOYSA-N	305.378	1.731	50	20	DDGD	
Cc1cc(C)n2nc(C(=O)NNc3ccc(F)cc3C)nc2n1	118996299	UPKNUKUZCKOLRH-UHFFFAOYSA-N	314.324	1.946	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc(C)cc1)C[C@H]1CCCO1	114726733	MVSPBVFOLKFAPP-OAHLLOKOSA-N	319.405	1.257	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)COCc1ccccc1	170900323	RTEKVCZQZDYXEA-UHFFFAOYSA-N	305.359	1.429	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)cn1	117679910	ZGQCVMNKUHGZSL-OLZOCXBDSA-N	318.764	1.638	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC(C)(C)c1ccc(F)cc1	66703533	VTQWYRXHFLFQNT-UHFFFAOYSA-N	311.357	1.470	50	20	DDGD	
CN(CC(=O)NNC(=O)NCc1ccco1)c1ccccc1	65898067	YIDZJLXSAOWKLM-UHFFFAOYSA-N	302.334	1.246	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H](C)c1cccnc1	67609024	ZNDUIOULONDEQD-LLVKDONJSA-N	314.345	1.795	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@H](C)n1cncn1)c1ccccc1	171879753	PHDWLBGIEFZVNE-WCQYABFASA-N	301.350	1.180	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1C[C@H](C)OC(C)(C)C1	67482922	WIZTVDSIMDFRBI-NSHDSACASA-N	321.377	1.549	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccc(N2CCOC2=O)c1	68595114	QYCCRXCTKHSHMR-UHFFFAOYSA-N	308.294	1.426	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc(Cn2cccn2)cc1	65192735	JVHQQJVZVNOJIP-UHFFFAOYSA-N	313.361	1.285	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)c1cccc(Cl)n1	126152491	IVJLSRUOSCMPDQ-UHFFFAOYSA-N	319.748	1.965	50	20	DDGD	
CCOc1cccc(CNC(=O)NNC(=O)c2ccc[nH]2)c1	124520731	QPULLRRTIKQRJC-UHFFFAOYSA-N	302.334	1.558	50	20	DDGD	
CC(=O)NCc1ccc(C(=O)NNc2cc(C)nc(C)n2)cc1	128743395	PSVLQJMEGATOJZ-UHFFFAOYSA-N	313.361	1.486	50	20	DDGD	
C[C@H](C1CC1)n1cc(NC(=O)NNC(=O)c2cnn(C)c2)cn1	189651234	NIFUCNCLVJTJTN-SECBINFHSA-N	317.353	1.054	50	20	DDGD	
Cc1ccnc2nc(C(=O)NNc3ccc(F)cc3F)nn12	122425550	SFHJAICYSACKAV-UHFFFAOYSA-N	304.260	1.468	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2cnc(C)cn2)c1	30862971	AOMKKIRYSLQQTL-UHFFFAOYSA-N	314.345	1.242	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccncc2)c2ccc(F)cc2N1	180519820	PZKNMJDWJIEJGW-LBPRGKRZSA-N	300.293	1.790	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cc(Cl)ccc1Cl	32262819	PPBGSMCOVMHGTJ-JTQLQIEISA-N	303.145	1.933	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NNc2ncc(F)cn2)C1	123259625	DHPMRBBHHQLHBX-QWRGUYRKSA-N	323.372	1.344	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1ccc(-c2cc[nH]n2)cc1	185274082	VCVJKZHHZBIMPB-UHFFFAOYSA-N	322.328	1.938	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1cc(F)c(F)cc1F	128981966	WXLZIMCSOBAMRA-UHFFFAOYSA-N	313.235	1.841	50	20	DDGD	
O=C(NNc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)COC2	181355311	XKGHPUSDLJCHNE-UHFFFAOYSA-N	315.304	1.938	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)NC[C@H](C)C#N)c1	182846248	XICLSTHDDUJUJJ-GFCCVEGCSA-N	304.350	1.172	50	20	DDGD	
CCOCCC(=O)NNC(=O)Cc1ccc2ccccc2c1	76963289	DQAIECNHDWGLCD-UHFFFAOYSA-N	300.358	1.956	50	20	DDGD	
COc1cccc(NNC(=O)NCCc2ccc(C)nc2)n1	181268690	OPSJCRQOIFWWLK-UHFFFAOYSA-N	301.350	1.662	50	20	DDGD	
CC(C)Nc1ncccc1C(=O)NNC(=O)c1ccccc1O	78798911	FTFZVMBNTPVAOL-UHFFFAOYSA-N	314.345	1.682	50	20	DDGD	
COCCO[C@H]1CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1	187979943	VIHJLTHUJXHVNH-DNXIFWLFSA-N	318.348	1.997	50	20	DDGD	
N#CCN(CC(=O)NNC(=O)c1ccccc1)C1CCCC1	182329598	PULGISBUQXIZQO-UHFFFAOYSA-N	300.362	1.216	50	20	DDGD	
CNC(=O)NNC(=O)c1[nH]c2ccccc2c1Br	48950727	HXUNEXKMDSQKKG-UHFFFAOYSA-N	311.139	1.504	50	20	DDGD	
CC(C)CN1N=C(C(=O)NNc2ncccc2Cl)CCC1=O	139345098	XTOLRJRZYBYTTM-UHFFFAOYSA-N	323.784	1.813	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2cc(C)cc(C)c2)cn1	131806225	ZNCAKMSDHDSERB-UHFFFAOYSA-N	314.345	1.789	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)NCc2ccco2)s1	138971139	UCSFXECWMVOMFM-UHFFFAOYSA-N	307.331	1.688	50	20	DDGD	
COc1nccnc1NNC(=O)c1oc2c(c1C)C(=O)CCC2	132113045	JCSSDXPCMIJLLM-UHFFFAOYSA-N	316.317	1.663	50	20	DDGD	
O=S(=O)(N[C@H]1CCCNC1)c1ccc(CCCCl)cc1	193350622	HAFFJWFVQKDGLY-ZDUSSCGKSA-N	316.854	1.888	50	20	DDGD	
Cc1ccc(-n2cc(C(=O)NNC(=O)c3ccncc3)nn2)cc1	193124159	NQSWBSSAPATDLI-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
O=S(=O)(NCCCCCO)c1ccc(CCCl)cc1	229159099	WOTOZFRKFSKKMX-UHFFFAOYSA-N	305.827	1.909	50	20	DDGD	
CCc1noc2ncc(C(=O)NNc3nc(C)cc(C)n3)cc12	194680359	NQTTWLBJMQJQPY-UHFFFAOYSA-N	312.333	1.949	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1cccc(Cl)c1	267145769	LTJAYPSEXJBNEZ-SECBINFHSA-N	315.757	1.544	50	20	DDGD	
COc1ccc(-c2n[nH]cc2C(=O)NNC(=O)NC(C)C)cc1	266293734	PAEWYKUQDHMEAQ-UHFFFAOYSA-N	317.349	1.438	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1ccccc1SC	265871579	JIMIUQHTXMEYPX-UHFFFAOYSA-N	323.418	1.474	50	20	DDGD	
CSCCCNC(=O)NNC(=O)COc1ccccc1C#N	265538189	DZLRJGRRAZLOFI-UHFFFAOYSA-N	322.390	1.021	50	20	DDGD	
O=C(Cc1cccc(N2CCCC2=O)c1)NNC(=O)C1CCC1	278971914	HQCFEMFMMBJKDT-UHFFFAOYSA-N	315.373	1.303	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1C[C@H](C(=O)OC)c2ccccc21	369913340	QULNWTSWBNEBKG-KZGTWKPJSA-N	314.341	1.948	50	20	DDGD	
O=C(NC[C@H]1CCCCN1C1CC1)NNc1ccc(Cl)nn1	277931406	WIURCUUEEZANIF-LLVKDONJSA-N	324.816	1.773	50	20	DDGD	
C[C@H]1CN(C(=O)/C(C#N)=C\c2ccc(O)cc2)CC[S@@](=O)C1	279292985	KONHLFIQVGTKJT-PVVNQYPPSA-N	318.398	1.526	50	20	DDGD	
CCOC(CCNC(=O)NNC(=O)c1ccccc1)OCC	276453133	ZZYFTNVBBMPAOQ-UHFFFAOYSA-N	309.366	1.420	50	20	DDGD	
COCCOc1cc(C(=O)NNC(=O)CC2CCCC2)ccn1	272286024	ULVFZOVCVOTFQU-UHFFFAOYSA-N	321.377	1.448	50	20	DDGD	
CCC(=CC(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC	273317225	WNLDAOGSAKNLLH-SNVBAGLBSA-N	313.398	1.793	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc(C)c(OCCC(C)C)c1	274022649	FLWOXFNWOYLODM-UHFFFAOYSA-N	321.377	1.526	50	20	DDGD	
Cc1onc(-c2cccnc2)c1C(=O)NNC(=O)c1ccc[nH]1	375679388	WMIIIZFLALMVPE-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNC(=O)OC)cc1Cl	274257405	VZYXLNCCKMOLFP-UHFFFAOYSA-N	315.713	1.064	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)Cc1ccc(F)c(Cl)c1	274353925	LHYQPXFOBLXQJM-UHFFFAOYSA-N	323.777	1.475	50	20	DDGD	
CCNC(=O)N(C)NC(=O)/C=C/c1ccc(OC(F)F)cc1	273049497	WLOZYLAQZMHMJQ-RMKNXTFCSA-N	313.304	1.994	50	20	DDGD	
Cc1csc([C@@H](C)CNS(=O)(=O)CBr)n1	273561926	YKFYXGPMHJSRIM-LURJTMIESA-N	313.242	1.827	50	20	DDGD	
CSc1nc(C(C)(C)C)nc(C)c1C(=O)NN(C)C(N)=O	272180631	LLZQILZNMTXDNG-UHFFFAOYSA-N	311.411	1.460	50	20	DDGD	
Cn1nc(NC(=O)NNC(=O)Cc2cccnc2)cc1C1CC1	289856228	PMIARFWTFRCHDK-UHFFFAOYSA-N	314.349	1.088	50	20	DDGD	
CSSCCNC(=O)CCCNC(=O)c1cccnc1	283915531	DPCKJSXUHPGBSY-UHFFFAOYSA-N	313.448	1.719	50	20	DDGD	
CCn1c(NNC(=O)[C@](C)(O)C2CC2)nc2ccccc2c1=O	286392959	QUCXZYIZXMJOOJ-MRXNPFEDSA-N	316.361	1.021	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@]12CCOC2)c1cccc2ncccc12	375182134	JPEFEJVKLROJPF-DYVFJYSZSA-N	311.341	1.422	50	20	DDGD	
O=C(CCCC1CCOCC1)NNC(=O)CNc1ccccc1	281914610	GUHPSCGMGQPTCB-UHFFFAOYSA-N	319.405	1.843	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CCCC(F)(F)C2)n1	282604274	HTWFLXYDYLYMHP-LLVKDONJSA-N	314.336	1.473	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CN1CCCCC1=O	281419822	ZWWCODHWUMIBQR-UHFFFAOYSA-N	304.350	1.160	50	20	DDGD	
CC(C)(O)CC(=O)NNC(=O)CSc1ccc(Cl)cc1	280119109	YIIFZJCMBDBERJ-UHFFFAOYSA-N	316.810	1.741	50	20	DDGD	
CCOCC(C)(C)CNC(=O)NNc1nc(C)cc(OC)n1	289502348	ZJZSMQJBCFRQOM-UHFFFAOYSA-N	311.386	1.482	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1c(C)nc(C(C)(C)C)nc1O	281184452	JUIIQVUJOVGVOR-UHFFFAOYSA-N	323.422	1.083	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1c(F)ccc(F)c1F	295258033	AXCKJUXYPFOPNT-VIFPVBQESA-N	302.252	1.434	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc2c(c1)CCCCC2=O	294728406	TXEDJAHLQOZMSB-HNNXBMFYSA-N	316.357	1.536	50	20	DDGD	
CCOc1cc2c(cc1NC(=O)NNC(=O)OC)O[C@@H](C)C2	298433650	AAWCQAOLEMIMJU-QMMMGPOBSA-N	309.322	1.801	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1c(Cl)cncc1Cl	292792203	VOWIFISJRGFTHF-UHFFFAOYSA-N	319.148	1.075	50	20	DDGD	
Cn1ncc(CCCNC(=O)NNc2c(F)cccc2F)n1	297200860	DGWQJVRQZHRBJK-UHFFFAOYSA-N	310.308	1.352	50	20	DDGD	
CCOC(=O)Nc1scnc1C(=O)NNC(=O)NC(C)C	291573332	TWKRNROKQFFPPE-UHFFFAOYSA-N	315.355	1.064	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)o1	801920628	QASGTXJOOLAJLS-UHFFFAOYSA-N	322.252	1.292	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNc2nc3ccccn3n2)c1C	294893372	LWMAFQYPRNXHBY-UHFFFAOYSA-N	313.365	1.248	50	20	DDGD	
COCCOc1cncc(C(=O)NNc2cccc(C#N)c2)c1	801176293	FKRFJAOEAUXWBT-UHFFFAOYSA-N	312.329	1.735	50	20	DDGD	
C[C@H]1CCCN(CC(=O)NNC(=O)c2ccc(F)cc2)[C@@H]1C	299262529	LKNHZPFATLKOHS-NWDGAFQWSA-N	307.369	1.707	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNC(=O)c1cc2c(s1)CCC2	809558876	VQXIAKCHTUWDKH-VIFPVBQESA-N	324.402	1.587	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H](C(=O)NNc1ccncn1)C(C)(C)C	296403651	WTZDXKSGUCHCSB-LLVKDONJSA-N	323.397	1.859	50	20	DDGD	
CCCCN(C)C[C@@H](C)NC(=O)NNC(=O)c1ccccc1F	292574709	RQJBSSNLLYABCE-GFCCVEGCSA-N	324.400	1.890	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2cnccn2)c(Cl)cc1F	806967527	HRWKBIJIAIXGCI-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
NC(=O)NNc1nc([C@H]2CCCN2C(=O)C(F)(F)F)cs1	800722166	XOWCIGPPBFBNBH-ZCFIWIBFSA-N	323.300	1.364	50	20	DDGD	
CCc1ccc([C@@H](COC)NC(=O)NNc2ccncn2)o1	296562516	ROCKZUUEPGIELZ-LLVKDONJSA-N	305.338	1.646	50	20	DDGD	
CCn1cc([C@H](C)NC(=O)NNc2nccc(OC)n2)cn1	297579758	QZVGKAIEVPGIBY-VIFPVBQESA-N	305.342	1.089	50	20	DDGD	
O=C(NCCC1CCC1)NNc1ccc(-n2ccnc2)nn1	805195090	VFOLCXDGHWPEMZ-UHFFFAOYSA-N	301.354	1.479	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(-n2ccnc2)nn1)C(F)(F)F	804958187	NOEQRAGSQSEUHI-SSDOTTSWSA-N	300.244	1.304	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCCCc2ccc(N)cc21	817325296	FDQLSLRINKJLPD-LBPRGKRZSA-N	319.405	1.867	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN(c2ccccc2)C1=O)C1CCC1	815552654	HCZKRMGFWJHVBY-AWEZNQCLSA-N	315.373	1.377	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1ccc[nH]1	817052319	YVBKBJSVNZFFED-UHFFFAOYSA-N	308.363	1.022	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NNC(=O)C2(F)CCCCC2)c1	810645211	FRQPNADJFXGXGY-UHFFFAOYSA-N	322.340	1.473	50	20	DDGD	
CNS(=O)(=O)CCNCc1ccc(OCCCCl)cc1	811492918	AKLHFPJEXLUZFA-UHFFFAOYSA-N	320.842	1.333	50	20	DDGD	
COCCC(COC)=NNC(=O)c1cn(C)c2ccccc12	812224951	XFRCVCXEPYNCON-UHFFFAOYSA-N	303.362	1.947	50	20	DDGD	
COC(=O)c1cc(/C=C(\C#N)C(=O)C2CCOCC2)cn1C	811690642	FXHJCINSXSABHX-NTUHNPAUSA-N	302.330	1.714	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	812451960	OHUAXPSTQICXIV-NWDGAFQWSA-N	317.389	1.776	50	20	DDGD	
O=C(COc1cc(F)cc(F)c1)NNC(=O)Cc1ccncc1	810468691	UOZNOHDFEXZRLH-UHFFFAOYSA-N	321.283	1.129	50	20	DDGD	
COCCN(C)NC(=O)C[C@@H](NC(C)=O)c1ccc(C)cc1	816561089	LCPKZQOFTHZDLP-OAHLLOKOSA-N	307.394	1.172	50	20	DDGD	
CC(C)(C)[C@@H]1CC(=NNC(=O)Cc2cc(O)nc(O)n2)CS1	814860183	MPHAUIYXABMHKO-JTQLQIEISA-N	324.406	1.454	50	20	DDGD	
O=C(NNc1ncncc1F)c1cc(-c2ccncc2)on1	817068134	WZDICPSDVGIXCT-UHFFFAOYSA-N	300.253	1.423	50	20	DDGD	
COc1cnc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)nc1	814762284	VGNJDZIVCZXSIZ-UHFFFAOYSA-N	320.736	1.142	50	20	DDGD	
Cn1ncc(C=NNC(=O)COc2ccc3ccccc3c2)c1N	814790937	UYBFWBSNJWIYKV-UHFFFAOYSA-N	323.356	1.685	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H](C)[C@@H](C)COC	812446009	JIYLNOJABROHAG-STQMWFEESA-N	322.405	1.694	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc(Cl)ncc1Br	813427389	GUGDIYFZUNKSIX-UHFFFAOYSA-N	321.562	1.414	50	20	DDGD	
Cn1nnc2c1C[C@@H](C(=O)NNc1cnnc3ccccc13)CC2	810404301	MHUVOXYHSKBUAY-JTQLQIEISA-N	323.360	1.007	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1ccc(Cl)c(N)c1	814824638	DUHARYDMPYWZRB-UHFFFAOYSA-N	308.769	1.385	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1nc2cc(Cl)ccn2n1	810246217	BWTSEOIMMYCCJT-UHFFFAOYSA-N	322.691	1.460	50	20	DDGD	
CC[C@@H](NC(=O)NNc1ncncc1F)c1c(C)noc1C	814315378	WPCXJTPMFCJYSB-SNVBAGLBSA-N	308.317	1.998	50	20	DDGD	
COCCOc1ccc(NC(=O)NNc2ncncc2F)cn1	813839960	NMDIXVOKVCDTMK-UHFFFAOYSA-N	322.300	1.185	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1ccc(N(C)C)cc1	825601841	DJOLZKLRFHYASD-FZMZJTMJSA-N	320.393	1.008	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccccc1Oc1cnn(C)c1	823923490	RTQIJEQELJOYQL-LLVKDONJSA-N	304.350	1.170	50	20	DDGD	
Cc1ccnc(NNC(=O)c2cc(-c3nn[nH]n3)cs2)c1	822374073	JYQXXOGWDSXCSX-UHFFFAOYSA-N	301.335	1.389	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(Br)cn1	727373843	OZADIIAQRPYKBR-UHFFFAOYSA-N	301.144	1.198	50	20	DDGD	
CN(CCN1CCCC1=O)C(=O)[C@@]1(C)C[C@H]1Br	906663116	FIIUKNSJOYJOLD-SKDRFNHKSA-N	303.200	1.241	50	20	DDGD	
O=C(O)Cc1ccccc1NC(=O)NNc1ccc(Cl)nn1	821539392	VJYKIPRKGCHVQF-UHFFFAOYSA-N	321.724	1.906	50	20	DDGD	
CC(=NNC(=O)NCC1CC1)c1ccc(-c2nn[nH]n2)c(F)c1	823948563	SFYQPTSSHRLLNU-UHFFFAOYSA-N	317.328	1.439	50	20	DDGD	
Cc1cccc2sc(NNC(=O)CN3CCOCC3)nc12	828362581	MTVHJXNRXAEIKZ-UHFFFAOYSA-N	306.391	1.380	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(C)cnc1Br	495954446	ZYHPAEXPLXIHJH-UHFFFAOYSA-N	317.143	1.935	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1nc(-c2ccccc2)no1	728786713	UWKVIUIKGWSDMQ-UHFFFAOYSA-N	307.313	1.824	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)/C=C/c1ccc2[nH]ccc2c1	492316612	HVCBPGZFAWXEMX-FNORWQNLSA-N	308.341	1.981	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCCn2ccnc2)cc(C#N)n1C	490611735	UMAWUECKRRGYLT-AUWJEWJLSA-N	308.345	1.125	50	20	DDGD	
C[C@H](CNC(=O)OC(C)(C)C)C(=O)NNc1ncncc1F	495774707	NYDBVUBRIGAQCE-MRVPVSSYSA-N	313.333	1.220	50	20	DDGD	
CCCNC(=O)NNC(=O)/C(C#N)=C/c1ccc(OCC)cc1	490610008	FNCBQFAIDPLVJW-JLHYYAGUSA-N	316.361	1.733	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCc1ccccc1C(F)(F)F	823906820	DANGXIHRUVXYBH-SNVBAGLBSA-N	304.312	1.982	50	20	DDGD	
CCN(CCO)NC(=O)c1cccc(OCc2cccnc2)c1	823853008	WOJHMAILGDMXKP-UHFFFAOYSA-N	315.373	1.620	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(OCc2ccccc2)cn1	823907525	MNBUHQSDAJUYJY-ZDUSSCGKSA-N	315.373	1.618	50	20	DDGD	
CCN(CC(=O)NNc1cc(C)nc(N)n1)c1ccccc1	828367315	MLNACFRCQBFFSW-UHFFFAOYSA-N	300.366	1.337	50	20	DDGD	
COc1cc(CNS(=O)(=O)CCl)ccc1OC(F)F	829792525	ACTQWZFXIFIWOR-UHFFFAOYSA-N	315.725	1.912	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CNC(=O)CC1CCCCC1	490958204	DEOMSTXLNPEWMH-UHFFFAOYSA-N	313.398	1.629	50	20	DDGD	
CC(C)(C)c1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cc1	585060874	LJDIHYZVWRAHIP-GFCCVEGCSA-N	311.212	1.222	50	20	DDGD	
CC1(C)CN(C(=O)[C@]2(C)C[C@@H]2Br)CCN1CCO	907598758	FJTQDXHPNQDOFS-GXFFZTMASA-N	319.243	1.075	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc(NC(=O)OC(C)(C)C)cn1	496971007	ZPZGZXWAEHTUQJ-UHFFFAOYSA-N	322.365	1.846	50	20	DDGD	
COCC(CC(C)C)=NNC(=O)CNC(=O)c1cccs1	730728390	UFQUSPBLALTWQS-UHFFFAOYSA-N	311.407	1.643	50	20	DDGD	
CCN(CCO)NC(=O)c1c(C)nn(-c2ccc(F)cc2)c1C	823837487	DALWOBITFKTALN-UHFFFAOYSA-N	320.368	1.587	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)C(C)(C)C1CC1	496604985	GZAFMSFLYJGIBX-UHFFFAOYSA-N	313.398	1.485	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNc1cc(C)nc(C)n1	496758198	NBOAOJSEQLFKFN-UFBFGSQYSA-N	309.370	1.307	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cn(CC)cn1)c1ccccc1	827185236	PJMOWMQOFSPFJM-CYBMUJFWSA-N	300.362	1.858	50	20	DDGD	
COCCOc1ccc(C(=O)NNC(=O)c2cccnc2)cc1	732049262	ITXQXMPAGFLGTC-UHFFFAOYSA-N	315.329	1.182	50	20	DDGD	
CCc1nc([C@@H](C)NCc2ccc(B(O)O)cc2F)cs1	585027561	BIPLWFDYTSRNIE-SECBINFHSA-N	308.187	1.375	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)N[C@H](C)C[C@@H](C)N	831197242	KHUKNKYLBRFOCT-VXGBXAGGSA-N	322.409	1.084	50	20	DDGD	
CC(C)[C@@]1(C)C[C@H]1NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	838764371	AUFGDMBYHDRQRR-IUODEOHRSA-N	320.349	1.973	50	20	DDGD	
C=C(CBr)COC(=O)/C(C#N)=C\c1cnn(C)c1	837973060	ZVSVHROJJVRFNF-JYOAFUTRSA-N	310.151	1.821	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(NC(=O)O)cc(C(F)(F)F)c1	831000556	HJFJMMAXKDNTAK-UHFFFAOYSA-N	320.227	1.369	50	20	DDGD	
O=C(CCn1ccnn1)NNc1ccc(Cl)cc1[N+](=O)[O-]	732057960	NOGYVIFDRUBPOA-UHFFFAOYSA-N	310.701	1.373	50	20	DDGD	
COC(=O)C1CCC(NC(=O)NNC(=O)CC(C)(C)C)CC1	730131440	MXCIXFKATHCJMR-UHFFFAOYSA-N	313.398	1.485	50	20	DDGD	
O=C(NCc1ccc2c(c1)OCCO2)NNc1cccnn1	736370206	HWYSKFCMRUKCKS-UHFFFAOYSA-N	301.306	1.074	50	20	DDGD	
O=C(O)CCCNC(=S)NNC(=O)CCCc1ccccc1	739680971	IJXXQUTWRMBXOD-UHFFFAOYSA-N	323.418	1.369	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)Nc1nc2n(n1)CCCC2	836773622	CGLPAJVHYSVICM-UHFFFAOYSA-N	316.369	1.676	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1nc2c(s1)CCCC2	831072193	MDUGWSAYQXLKEU-RKDXNWHRSA-N	324.406	1.600	50	20	DDGD	
CC(C)(O)C(C)(C)CNC(=O)NNc1ccc(Cl)nn1	836652525	CIASEZZGCCCIES-UHFFFAOYSA-N	301.778	1.553	50	20	DDGD	
Cc1ccc2c(c1)[C@@H](NC(=O)NNC(=O)[C@H]1CCCCO1)CC2	836286396	GDLRORUSZCJYNF-LSDHHAIUSA-N	317.389	1.882	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1	830776368	HJYSVVVWLPPSTI-RBSFLKMASA-N	312.373	1.696	50	20	DDGD	
C[C@H]1CC[C@H](CNC(=O)NNC(=O)Cc2ccc(F)cc2)O1	838742175	OUTLQQLGOAXQPN-GXFFZTMASA-N	309.341	1.266	50	20	DDGD	
CCOC(=O)CC(C)(C)CC(=O)NNC(=O)[C@@H]1CCCCO1	833235331	BDWONJJSIDLFQS-NSHDSACASA-N	314.382	1.072	50	20	DDGD	
C=C(CBr)CN1CCCC[C@H]1CS(C)(=O)=O	831782248	HKXYDSXMTNEYJF-NSHDSACASA-N	310.257	1.837	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc3cccnc23)nn1C	747424071	HBEWONWOYRYENO-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)CCc1ccccc1)c1cnn(C)c1	743632958	LEZLOBZELYNSBF-LBPRGKRZSA-N	315.377	1.444	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)C1CC(OCc2ccccc2)C1	746838898	KPLGUMXKSAMNRB-UHFFFAOYSA-N	317.389	1.722	50	20	DDGD	
CC(C)(C)C[C@@H]1CCN(C(=O)NNC(=O)c2ncccn2)C1	841591653	DSVULSRTKVZVJS-NSHDSACASA-N	305.382	1.589	50	20	DDGD	
CCC(CC)n1ccc(C(=O)NNC(=O)c2ncccn2)n1	841349917	BPDDSGPJMMNINX-UHFFFAOYSA-N	302.338	1.109	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	841000154	OLXFGAKQIAJUFZ-LBPRGKRZSA-N	309.322	1.417	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)CC(F)(F)F)CC(F)(F)F	840433171	OJXDHSGBEQPQDH-YFKPBYRVSA-N	309.210	1.858	50	20	DDGD	
Cc1cc(C(=O)NN(C)C[C@H](C)O)cc(C)c1OC(F)F	910168507	UBRYPGJMDAQHCY-JTQLQIEISA-N	302.321	1.862	50	20	DDGD	
CCCNCCNC(=O)NNC(=O)c1c[nH]c2ccccc12	841962163	XJWBTCZKXDRQQW-UHFFFAOYSA-N	303.366	1.112	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CSC2=NCCS2)c1	742445306	MIUMFSDCKPSQFA-UHFFFAOYSA-N	309.416	1.592	50	20	DDGD	
COCCOCCCCNC(=O)NNc1nc(C)cc(C)n1	749930253	CVBPLQPFCJPSHK-UHFFFAOYSA-N	311.386	1.163	50	20	DDGD	
O=C(CSCc1cscn1)NNC(=O)CC(F)(F)F	746826851	SDOSLVMFAALSDX-UHFFFAOYSA-N	313.326	1.476	50	20	DDGD	
Cc1cccc(C(=O)NN(C)C[C@H](C)O)c1Br	910159701	BFEVRROWGFQDKZ-VIFPVBQESA-N	301.184	1.715	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1	910152140	LYBMHBYEDBIVPG-GHMZBOCLSA-N	312.797	1.893	50	20	DDGD	
Cn1nc(C2CC2)nc1CC(=O)NNc1nc2ccccc2[nH]1	844136246	AWTXTVANRUROBO-UHFFFAOYSA-N	311.349	1.255	50	20	DDGD	
Cc1cccc(C)c1NCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843979179	MORPPRAUDBGLMM-OLZOCXBDSA-N	305.378	1.288	50	20	DDGD	
Cc1ccc([C@@H](C)CNC(=O)NNC(=O)c2ncccn2)cc1	841591771	GGKUPJCKLWGYAC-LBPRGKRZSA-N	313.361	1.533	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc(OC2CCOCC2)cc1	742035018	VQPDRXODODYDDK-UHFFFAOYSA-N	306.362	1.661	50	20	DDGD	
C[C@@H]1OC(=O)N[C@H]1C(=O)NNc1ccccc1Br	841410043	ZZIMYUKGCMWZST-IMTBSYHQSA-N	314.139	1.389	50	20	DDGD	
NC1(CNC(=O)NNC(=O)c2ccccc2F)CCCCC1	841923986	KJNFSAFLJRDRRG-UHFFFAOYSA-N	308.357	1.431	50	20	DDGD	
CCOc1ncccc1C(=O)NNc1cc(Cl)nc(C)n1	747982972	HOWNRSMBGNCYRN-UHFFFAOYSA-N	307.741	1.989	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN(Cc1cccc(F)c1)C1CC1	744389060	HDEFFHJTTPVSMW-UHFFFAOYSA-N	321.396	1.984	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCCC2)c1ncccn1	743292344	YHBUZZZIHQBVQG-UHFFFAOYSA-N	302.359	1.492	50	20	DDGD	
Cc1c(C(=O)NNC(=O)Cc2cccc3ccccc23)nnn1C	741524336	GFZSEFPJEKZDKK-UHFFFAOYSA-N	323.356	1.280	50	20	DDGD	
Cc1c(NC(=O)NN)cccc1S(=O)(=O)NC(C)(C)C	841122665	ILRMRTVDCSUDIE-UHFFFAOYSA-N	300.384	1.067	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@H]1CCc2c[nH]nc2C1	742607993	PQYOBDONDPJEJA-ZDUSSCGKSA-N	312.373	1.295	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1CCO[C@H](c2ccccc2)O1	847285221	FEBWDHJBDPDSOJ-JSGCOSHPSA-N	321.402	1.172	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNc1ccc(CC(=O)OC)cc1	846375782	KBOPPCKETHRNRO-NHYWBVRUSA-N	308.378	1.906	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cccc2nc(O)[nH]c12	855089723	CXHCLPAYLOHIMB-UHFFFAOYSA-N	319.390	1.178	50	20	DDGD	
COCc1nc(COC(=O)/C(C#N)=C\c2ccc(O)cc2)no1	759556081	HQWHDXRUUJQCHO-WDZFZDKYSA-N	315.285	1.572	50	20	DDGD	
Cn1ncc(C(=O)NNc2ncccc2[N+](=O)[O-])c1C(F)F	759290785	GUVDSPJSLMCBSH-UHFFFAOYSA-N	312.236	1.418	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cnn(-c2ccc(Cl)cc2)n1	751540531	KSDVDWCXIWMKHD-UHFFFAOYSA-N	305.725	1.092	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(OCCCN(C)C)cc1	756476326	SSAIUYJYLXMMMV-UHFFFAOYSA-N	308.382	1.580	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccc3nc[nH]c3n2)C[C@H]1Br	857396202	ZGPRYNDFNCTSFP-SKDRFNHKSA-N	309.167	1.861	50	20	DDGD	
CC(C)CS(=O)(=O)CCC(=O)NNc1ncc(Cl)cn1	857355609	GTZXMRUOIMVETF-UHFFFAOYSA-N	320.802	1.034	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)C2CC(OC)C2)o1	858760415	QWXNMVJKUPKQSS-UHFFFAOYSA-N	323.393	1.307	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2nccnc2C)n1	857152792	GMWXRXRENHDKFE-UHFFFAOYSA-N	301.354	1.178	50	20	DDGD	
C[C@@]1(CN2C(=O)N3CCC[C@@]3(C)C2=O)C[C@H]1Br	857227422	MUASLINALFMFOJ-ZHAHWJHGSA-N	301.184	1.977	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H]1C[C@]12C(=O)Nc1ccccc12	929790781	MUMWWSNPXQFYDG-BDJLRTHQSA-N	301.346	1.090	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2nn[nH]c2-c2ccccc2)n[nH]1	755628468	RXWMZOCQCVUYQZ-UHFFFAOYSA-N	309.333	1.196	50	20	DDGD	
Cn1c(=O)oc2c(C(=O)NNc3ccc(Cl)nc3)cccc21	757901357	NNXCBORZKMWPEJ-UHFFFAOYSA-N	318.720	1.937	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)c1cn[nH]c1)CC(F)(F)F	858540036	UBXRPKPTHRRBQJ-SSDOTTSWSA-N	307.276	1.332	50	20	DDGD	
N#CC1(C(=O)NNC(=S)NCCc2cccs2)CCCC1	753075906	CMRHJLRKNCDEON-UHFFFAOYSA-N	322.459	1.870	50	20	DDGD	
O=C(COC(=O)[C@H]1CC12CCC2)NNC(=O)c1cccs1	759992126	ONWJERHTRMGVFX-SECBINFHSA-N	308.359	1.243	50	20	DDGD	
CCN(CCOCCO)C(=O)NC[C@@]1(C)C[C@H]1Br	856959894	ZGAGDAKYICOHLQ-ZYHUDNBSSA-N	323.231	1.200	50	20	DDGD	
Cn1nncc1NNC(=O)c1cccc(CN2CCCC2)c1	857271369	KCPNRNCVZZIOMK-UHFFFAOYSA-N	300.366	1.168	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)C(C)(C)c2ccccc2)C1	858206340	KBLAFXZMXFJLTK-JOCQHMNTSA-N	305.378	1.472	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNC(=O)c1ccc(OC)cc1OC	859245835	HZNWZFSJEWTIEK-CYBMUJFWSA-N	324.377	1.670	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NNc2ccnc(N(C)C)n2)C1	857859465	UYQAZCYZNAYUGZ-KOLCDFICSA-N	315.381	1.075	50	20	DDGD	
C[C@@]1(CNC(=O)c2cccc3ncnn23)C[C@@H]1Br	857392627	BCKJNPXHTKTZTI-CABZTGNLSA-N	309.167	1.633	50	20	DDGD	
CCC[C@@H](C(=O)NNc1ccc(C)c(F)c1)S(N)(=O)=O	856228210	RWQKONOEYVBUSY-NSHDSACASA-N	303.359	1.034	50	20	DDGD	
CC(C)(C)n1nnc(C=NNC(=O)Cc2ccc(F)cc2)n1	853277620	RKNSWFGNYVEVPH-UHFFFAOYSA-N	304.329	1.260	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(C#N)c1)n1nnnc1C(C)(C)C	758385894	QXNZQWBUOBIRFQ-SNVBAGLBSA-N	313.365	1.547	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H](C(=O)NN[C@H](C)C(F)(F)F)C2	862310118	YYYYHVMBPMMKPI-SCZZXKLOSA-N	318.295	1.818	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](C)c1nc(C(F)(F)F)no1	862032009	WPLQWOWENPMWSM-ZHURGCMGSA-N	304.228	1.710	50	20	DDGD	
Cc1cn2ccnc(C(=O)NNC(=O)CC3CCCC3)c2n1	762861769	AWYMECIALVQKSY-UHFFFAOYSA-N	301.350	1.379	50	20	DDGD	
O=C1NCCC[C@@H]1C(=O)NNc1cc(Cl)ccc1Cl	866873214	PKZAKDVOYOTICG-QMMMGPOBSA-N	302.161	1.963	50	20	DDGD	
COc1ccccc1CC(=NNC(=O)[C@H]1CCC(=O)N1)C(C)C	863148435	BUKQNPVBXWSTSQ-CYBMUJFWSA-N	317.389	1.645	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H](C)OCc2cccc(C)c2)n1	864823331	MQIFGLSJPFTXGJ-GFCCVEGCSA-N	316.361	1.842	50	20	DDGD	
CCn1cc(C(=O)NNc2ccc(F)c(C(=O)OC)c2)c(C)n1	861925761	YWQCDPXXFAFNMG-UHFFFAOYSA-N	320.324	1.894	50	20	DDGD	
CC(=O)c1cc(C(=O)NNCC(F)(F)C(F)(F)F)n(C)c1	863091700	NQRCFBAPVACVHP-UHFFFAOYSA-N	313.226	1.660	50	20	DDGD	
O=C(NCc1cccc(F)c1F)NNC(=O)[C@@H]1CCCCO1	868962088	NMGZZKBFQKLMEZ-NSHDSACASA-N	313.304	1.364	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@]2(C)C[C@H]3CC[C@H]2C3)c1O	863860701	FQMQJSKIDCKQQR-PSVSLLHZSA-N	318.373	1.988	50	20	DDGD	
Cc1cc(C)n(CCC(=O)NNCC(F)(F)C(F)(F)F)n1	863091588	LNHVGPLCQMAMNX-UHFFFAOYSA-N	314.258	1.708	50	20	DDGD	
Cc1nc2ccccc2c(C)c1CC(=O)N1CC[C@@H](B(O)O)C1	864231715	QXKHENCEKCRWTB-CYBMUJFWSA-N	312.178	1.469	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)Cc2cccc(C(F)F)c2)n[nH]1	869016073	HIOMYWZCUPIGOO-UHFFFAOYSA-N	322.315	1.588	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)c1cnc2[nH]cnc2c1	764120672	JFULQLQWPMRSIP-UHFFFAOYSA-N	323.356	1.742	50	20	DDGD	
CC(C)[C@@H](CC1CCCCC1)C(=O)NNC(=O)[C@H]1CCC(=O)N1	862454952	LPJHCZIYCQNERJ-ZIAGYGMSSA-N	323.437	1.655	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccc(COC(C)C)cc1	869912465	TXUYWXDTBKPCHX-UHFFFAOYSA-N	324.377	1.036	50	20	DDGD	
Nc1ncccc1C=NNC(=O)COc1ccccc1[N+](=O)[O-]	764659987	NCWCNBOYPOUNNL-UHFFFAOYSA-N	315.289	1.101	50	20	DDGD	
COCc1ccc(C=NNC(=O)CNC(=O)c2cccs2)o1	764680053	CSRDYLIPRAJAFZ-UHFFFAOYSA-N	321.358	1.368	50	20	DDGD	
Cc1ccccc1OCCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	1118208819	YBTYOMCURILOGC-QWHCGFSZSA-N	306.362	1.336	50	20	DDGD	
Cc1ccc([C@@H](C)[C@H](O)C(=O)NNC(=O)c2ccc(C)o2)cc1	765142503	NXPPANVFFUWVKO-DOMZBBRYSA-N	316.357	1.822	50	20	DDGD	
CN(NC(=O)c1cc(COc2ccccc2F)on1)C(N)=O	768369481	CIDSIRFTTYFOKF-UHFFFAOYSA-N	308.269	1.048	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC(C(F)F)CC1	767082520	MNYNRJNGEUABFV-JTQLQIEISA-N	305.369	1.546	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1c[nH]cc1C1CC1	878749934	LCKGTTOBCJVNCG-UHFFFAOYSA-N	313.357	1.992	50	20	DDGD	
CC1=NO[C@@H](CNC(=O)NNC(=O)c2cccc(Cl)c2)C1	875981180	WMMNPNCSVTUYRG-LLVKDONJSA-N	310.741	1.449	50	20	DDGD	
Cc1nc(C(C)C)ncc1C(=O)NNC(=O)c1cccn1C	877985008	SFRHUINZMSNTEZ-UHFFFAOYSA-N	301.350	1.322	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=S)Nc1ccccc1OC	873770453	MTJYSACZLOPEET-LBPRGKRZSA-N	311.407	1.828	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H](C)C(F)(F)F)cn1	874953419	BWCLJONSZZDKOC-ZCFIWIBFSA-N	322.312	1.606	50	20	DDGD	
CCOC(=O)C1(C)CC(=NNC(=O)CNc2ccccc2)C1	872328294	RUYBZVGLKVLJOZ-UHFFFAOYSA-N	303.362	1.934	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cn(C)c2cc(Cl)ccc12	872338932	RMTHGJXUXMYUDG-UHFFFAOYSA-N	320.780	1.806	50	20	DDGD	
COC(=O)N1CCC(CNC(=O)NNc2cccc(C)n2)CC1	875577531	IBLDMUUSZONXEF-UHFFFAOYSA-N	321.381	1.495	50	20	DDGD	
Cc1ncsc1CNC(=O)NNc1nncc(N)c1Cl	1116295843	MKNATIISGSDXNK-UHFFFAOYSA-N	313.774	1.303	50	20	DDGD	
COCCOCC(=O)NN=Cc1cnc(C)n1-c1ccccc1	872401713	GFEZVMRUNZVBCB-UHFFFAOYSA-N	316.361	1.294	50	20	DDGD	
CC(=O)N(C)c1ccc(CNC(=O)NNC(=O)C2CCC2)cc1	875825365	ZIJTVUZNWKKCNZ-UHFFFAOYSA-N	318.377	1.300	50	20	DDGD	
CC(C)OCCC(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874951184	MACYSURSZYUTGT-UHFFFAOYSA-N	324.450	1.885	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)CSc1ccccc1O)C(C)C	771440836	XTUDNLVBXKBASR-CYBMUJFWSA-N	312.391	1.303	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cn1	774360935	JQTSYLKHAYIHDN-SECBINFHSA-N	315.782	1.010	50	20	DDGD	
COc1ccc([C@H](NCC(=O)NNC(=O)C2CC2)C(C)C)cc1	774823565	JFKQFEDHUQDGQF-MRXNPFEDSA-N	319.405	1.539	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cccc([S@@](C)=O)c2)n1	771401770	PWZIKCBXVOHXJH-JOCHJYFZSA-N	320.374	1.288	50	20	DDGD	
Cc1ccccc1NCCC(=O)NNc1cc(Cl)nc(N)n1	773860995	LWGAXEFKFLXAMX-UHFFFAOYSA-N	320.784	1.966	50	20	DDGD	
C[C@]1(C(=O)N2CCO[C@@H]3COCC[C@@H]32)C[C@H]1Br	888783019	HOIYMZCURRHQTO-XNDJQWLSSA-N	304.184	1.176	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](CC)Nc1ccccc1	772116461	SIJLKFKHMYHREE-DGCLKSJQSA-N	321.377	1.366	50	20	DDGD	
CS(=O)(=O)CCCCCNC(=O)NNc1cccc(C#N)c1	776266621	VZICGRVCNRXNDN-UHFFFAOYSA-N	324.406	1.399	50	20	DDGD	
O=C(CCN1C(=O)CCC1=O)NNc1c(F)cc(F)cc1F	885149163	MKJZRCVUGJIEBF-UHFFFAOYSA-N	315.251	1.086	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1oc(Br)cc1C	887141964	QOBBYXBQPXKXHI-UHFFFAOYSA-N	313.151	1.915	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cnc2ccsc2c1	883064134	QNMFWHVBNGRTCC-UHFFFAOYSA-N	305.359	1.484	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@H]1CCCN(C(C)=O)C1	788191551	TWBBEQMGDMNAAP-NSHDSACASA-N	309.341	1.536	50	20	DDGD	
CC[C@H](Oc1ccccc1F)C(=O)NNC(=O)C1CCOCC1	883064942	USBQIQXKYCURPK-ZDUSSCGKSA-N	324.352	1.557	50	20	DDGD	
CCc1csc(NC(=O)C(=O)NNc2ccnc(F)c2)n1	789763052	ZWBABAXXQIZUBB-UHFFFAOYSA-N	309.326	1.321	50	20	DDGD	
CC(=O)N[C@H](CC1CCC1)C(=O)NNc1ncncc1Cl	787562960	WMMJZQDUIOOCQV-LLVKDONJSA-N	311.773	1.268	50	20	DDGD	
O=C(Cc1ccc(O)c(Cl)c1)NNC(=O)C1CCOCC1	883072768	YFWJEGNOWCNHFS-UHFFFAOYSA-N	312.753	1.162	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCC[C@H](CF)C1	883483314	AYEXMBBBTUFTIT-LLVKDONJSA-N	309.341	1.731	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2ccccc2F)cc1	783022373	OSXOTNLELZDSKH-UHFFFAOYSA-N	303.293	1.916	50	20	DDGD	
COC(=O)COc1ccc(/C=C(\C#N)C(=O)OC)cc1[N+](=O)[O-]	788688865	MMIMUAPVRWFHIB-BJMVGYQFSA-N	320.257	1.227	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1CCC(=O)c2ccccc21	785683497	CLBOFDVTBUBDAL-GFCCVEGCSA-N	303.387	1.428	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@H](F)C(C)C	784526713	XXTWDNYBVAUXAK-LLVKDONJSA-N	318.370	1.536	50	20	DDGD	
COc1cc(C(=O)NN=c2cc[nH]cc2)c([N+](=O)[O-])cc1OC	780761516	TWWDXXGNUDJTJR-UHFFFAOYSA-N	318.289	1.186	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@@H]2CO[C@@H](C)C2)cc1	784145252	OIURSJRTNSPBBY-QWRGUYRKSA-N	323.418	1.828	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCCCS2)cc1OC	783032888	AGHSWSASHLWTCA-ZDUSSCGKSA-N	324.402	1.751	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C/c2cnn(CC3CCC3)c2)n1	899365164	QDUXNKMYRORTBF-VGOFMYFVSA-N	310.361	1.962	50	20	DDGD	
O=C(NNC(=O)c1cccc2ncccc12)c1cccc(O)c1O	790664901	WLYPSDDNQAQJGP-UHFFFAOYSA-N	323.308	1.721	50	20	DDGD	
N#CCc1cccc(S(=O)(=O)NNC(=O)c2ccccc2)c1	794578731	LBNCTIUYFOPMOJ-UHFFFAOYSA-N	315.354	1.376	50	20	DDGD	
CO[C@@H]1CCC[C@H](CC(=O)NNC(=O)NCC(F)(F)F)C1	798126272	YXSOLACKUWWCDV-DTWKUNHWSA-N	311.304	1.474	50	20	DDGD	
COc1ccc(F)cc1NC(=O)C(=O)NNc1ncccc1C	792376156	QLTDTEMLKFHMSH-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
Cn1cc2c(n1)CCC[C@@H]2C(=O)NN=c1cc[nH]cc1Cl	798992029	FJHPYXVICZLXGX-VIFPVBQESA-N	305.769	1.454	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNC(=O)c1cccc(OC(F)F)c1	796126931	SPTOKNJDQPQSFT-CQSZACIVSA-N	311.288	1.989	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1sc2cccc(F)c2c1C	1319562045	LZYJTVBEIGMUOW-UHFFFAOYSA-N	318.351	1.898	50	20	DDGD	
COc1ccc2c(c1)OC[C@H](C(=O)NNc1ccncn1)C2	1328032491	WAUZGKFONSZNGH-LLVKDONJSA-N	300.318	1.180	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNc2ccncn2)cc1OC	1324779185	XDFFISNXJCBRLF-UHFFFAOYSA-N	316.361	1.915	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)c1cnc(C2CC2)[nH]1	1324245606	NXNSFFBQFVTHAL-UHFFFAOYSA-N	310.317	1.693	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1ccccc1Cl	1321860172	GYUNGCVFRYTHEU-ZDUSSCGKSA-N	323.780	1.502	50	20	DDGD	
CN(C)C[C@](C)(C=NNC(=O)c1cccnn1)c1ccccc1	1336994402	FICRODKLSWVRNN-KRWDZBQOSA-N	311.389	1.712	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NC[C@H]1CCCCCN1	1335718343	YLNWWZBLWBBNTE-CQSZACIVSA-N	322.384	1.231	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@H]1c1cccs1)c1cn[nH]c1	1331536886	MBXBXURUHDMOCV-JTQLQIEISA-N	305.363	1.663	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1c(C)cc(C)cc1C	1337761885	MNQUKBMVFWPKLW-UHFFFAOYSA-N	315.373	1.501	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1CCCc2ccccc21	1263119778	NJOKIWGTFSRTPF-UXIGCNINSA-N	317.389	1.819	50	20	DDGD	
Cc1cccnc1[C@H](C)NC(=O)NNC(=O)C1CCOCC1	1342206682	UKLZBKFJGLOUMP-NSHDSACASA-N	306.366	1.208	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNC(=O)c1ccc(OC)cc1	1342159199	ZQKZYSPPUOEGBC-UHFFFAOYSA-N	322.361	1.436	50	20	DDGD	
O=C(NC[C@@H]1CCCCCN1)NNC(=O)c1ccc(Cl)cc1	1357740984	SRRIZXGZSDHFLK-ZDUSSCGKSA-N	324.812	1.816	50	20	DDGD	
C[C@@H]1[C@@H](C(=O)NNC(=O)Cc2c[nH]c3ccccc23)C1(F)F	1520735352	JZNAEZSSHYAQQC-OQPBUACISA-N	307.300	1.759	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H](C)c2ccnn2C)cc1C(=O)O	1600461954	DHRRYSYZWYCHNI-JTQLQIEISA-N	302.334	1.674	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)C1(C(=O)O)CCC1	1604892664	KSEZIDLQEYKKEQ-UHFFFAOYSA-N	323.374	1.268	50	20	DDGD	
Cc1c(NNC(=O)c2cnn3ccncc23)cccc1C(=O)O	1600055271	RAKRTPQDDFPNFD-UHFFFAOYSA-N	311.301	1.493	50	20	DDGD	
O=C(O)[C@H](C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)C1CC1	1605898126	LHCZJPCTHUEVNO-XTEAKVDPSA-N	320.389	1.461	50	20	DDGD	
O=C(CCc1ccccc1C(=O)O)NNc1ccnc(F)c1	1608318161	ABTIQQQWKONPBD-UHFFFAOYSA-N	303.293	1.995	50	20	DDGD	
CN(NC(=O)Nc1ccccc1CC(=O)O)c1ccccn1	1604195585	RROVBWVNMTWZRZ-UHFFFAOYSA-N	300.318	1.882	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2cccc(C(=O)O)c2)c(C)o1	1600095877	WQSRUAKKKJXEIJ-UHFFFAOYSA-N	316.313	1.598	50	20	DDGD	
CN(C)Cc1cc(C(=O)NNc2ccc(C(=O)O)cc2F)no1	1606033376	OCVWJTUOPRNOPC-UHFFFAOYSA-N	322.296	1.330	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCN1CCC[C@H](O)[C@@H]1C(=O)O	1609669312	GJJYIDMJPGTBBV-NWDGAFQWSA-N	303.475	1.918	50	20	DDGD	
CCCCNC(=O)NN=Cc1ccc(-c2nn[nH]n2)c(OC)c1	1609210777	PBVPAVWVVNSTMY-UHFFFAOYSA-N	317.353	1.309	50	20	DDGD	
Cc1c(NNC(=O)c2cnc(C(=O)O)cn2)cccc1[N+](=O)[O-]	1610426719	AKYWHAXRBJXUGG-UHFFFAOYSA-N	317.261	1.148	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCO[C@H]1c1nccn1C)c1cn[nH]c1	1549311881	USAGWSCHSRLKSM-QWHCGFSZSA-N	316.365	1.151	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)NN=Cc1cncs1	1549319235	JGEWMCVYRMNVTO-WCQYABFASA-N	319.390	1.495	50	20	DDGD	
O=C(O)CNC(=O)NN=C(Cc1ccccc1[N+](=O)[O-])C1CC1	1610783065	GHSUFPWDIQEEFL-UHFFFAOYSA-N	320.305	1.287	50	20	DDGD	
Cn1cc([C@H]2OCCC[C@@H]2C=NNC(=O)c2cccn2C)cn1	1552453989	RBYYACDSRNRTAT-DOMZBBRYSA-N	315.377	1.642	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@@]1(C)CNCCO1	1579646700	PXUCESPOZPFXBS-MRXNPFEDSA-N	300.362	1.365	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@H]1CCCCC12CCNCC2	1579974692	RRMKDSPWIPAXDU-CYBMUJFWSA-N	318.421	1.346	50	20	DDGD	
Cc1cc(=NNC(=O)c2ccc([C@H]3CCCCN3)n2C)cc[nH]1	1579638468	YKOJCDLYLIQWRR-CQSZACIVSA-N	313.405	1.722	50	20	DDGD	
CCOCCC(=O)N1CCCC12CN(C(=O)C(Cl)Cl)C2	1846682259	PPRJEFVLUHHYLG-UHFFFAOYSA-N	323.220	1.420	50	20	DDGD	
C[C@H](CC(=O)O)CC(=O)NNc1cc(O)nc2ncccc12	1592391364	IOBJRJVVRWDHBX-QMMMGPOBSA-N	304.306	1.279	50	20	DDGD	
C[C@@H]1CCc2nc(C(=O)NNc3ccc(C(=O)O)cn3)cn2C1	1594448550	TWCPALVVCXOTNE-SECBINFHSA-N	315.333	1.316	50	20	DDGD	
Cn1nc(C(=O)O)cc1C=NNC(=O)Nc1ccc(Cl)cc1	1776077795	BAGQVIHWLLZQJY-UHFFFAOYSA-N	321.724	1.927	50	20	DDGD	
CCn1ncnc1C=NNC(=O)Nc1ccc(C(=O)O)cc1	1776046024	XPMUIWPNACIDCC-UHFFFAOYSA-N	302.294	1.152	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1cccn2c(C(=O)O)cnc12	1776115564	CUPNPZIEHUYNPF-XFFZJAGNSA-N	315.285	1.129	50	20	DDGD	
O=C(Cc1ccccc1)NNC(=O)c1ccc2c(c1)OCCO2	15918547	SFVDNKOSDYQJIE-UHFFFAOYSA-N	312.325	1.462	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=S)Nc2ccccn2)c1	161597951	YJWPLJJIVDTCRZ-UHFFFAOYSA-N	316.386	1.787	50	20	DDGD	
CCN(CC)S(=O)(=O)CC(=O)NNc1ccccc1Cl	158448531	GKIDKSJLSNXUJR-UHFFFAOYSA-N	319.814	1.455	50	20	DDGD	
O=CNc1ccc(C(=O)NNc2cccc([N+](=O)[O-])c2)cc1	151714923	VAQQAAHFYGJSOI-UHFFFAOYSA-N	300.274	1.920	50	20	DDGD	
O=C(NCc1ccccn1)NNc1ncnc2ccsc12	151359827	TVJHNBYKOHWBDM-UHFFFAOYSA-N	300.347	1.913	50	20	DDGD	
Cc1cc(C)cc(NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c1	152783416	JCMWOGCJOXDDRR-AWEZNQCLSA-N	311.407	1.507	50	20	DDGD	
N#Cc1ccc(NNC(=O)CS(=O)(=O)C2CCCC2)cc1	155354504	JNIVAELJPBXWQQ-UHFFFAOYSA-N	307.375	1.359	50	20	DDGD	
COCCC1(C(=O)NNC(=O)Cc2ccccc2F)CCC1	154318707	PWBPLKIREOYMOI-UHFFFAOYSA-N	308.353	1.722	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1ccc(CC)c(CC)c1	159924917	QVVOZKWYUBDLLI-UHFFFAOYSA-N	300.380	1.751	50	20	DDGD	
CC[C@@H]1CN(S(=O)(=O)c2ccc(CCCl)cc2)C[C@H]1O	399902913	NUVZCRCDMOZKIB-TZMCWYRMSA-N	317.838	1.859	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1ccc(Br)cc1	6077278	BCMGOTIJKIYNID-UHFFFAOYSA-N	323.168	1.389	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C[C@@H]2C=CCC2)c1	8193784	FRKFQNDWZMDBKY-LLVKDONJSA-N	304.346	1.821	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC1CCCCC1)N1CCCC1=O	173615729	XRCXHPQLBXQHRT-LBPRGKRZSA-N	310.398	1.051	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)N[C@@H]1CC=CCC1	175538425	XDGMYUYWEVEPDJ-GFCCVEGCSA-N	313.361	1.316	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NC[C@H]1CCCOC1	171834087	NVAZGHQOXLWHDG-LLVKDONJSA-N	309.341	1.125	50	20	DDGD	
O=C(CCC1CCOCC1)NNC(=O)Cc1ccc(F)cc1	173081591	BLDNKHLLRKXFTH-UHFFFAOYSA-N	308.353	1.722	50	20	DDGD	
Cc1ncccc1NC(=O)C(=O)NNc1c(F)cccc1F	119835337	FJZDJTVVQWJIHD-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)COC)c1C	57547055	FAMGSNRZYDNLFI-DZZSIBQASA-N	319.405	1.809	50	20	DDGD	
CCN1CCCC[C@H]1CNC(=O)NNC(=O)c1ccc(C)s1	111478681	RILWVZDPIIKNPW-LBPRGKRZSA-N	324.450	1.875	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N(C)CC1CCC1	111436873	LUQHGKMKXMGCAN-UHFFFAOYSA-N	315.377	1.729	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccc([N+](=O)[O-])cc2)cn1	119132450	JCNFZCBQMVHOSQ-UHFFFAOYSA-N	315.289	1.380	50	20	DDGD	
CCN(CC)CC(=O)NNc1nc2ccccc2c(=O)n1CC	67707824	KMKYOYSERKHJSY-UHFFFAOYSA-N	317.393	1.201	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccc(-n2cccc2)c1	61480165	CJZFRMUFKCMTTC-UHFFFAOYSA-N	300.387	1.772	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC(c2ccccc2)=NO1)NC1CCCC1	65919406	RWKOKRUHPLMLLX-CQSZACIVSA-N	316.361	1.453	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)Nc1c(F)cc(F)cc1F	1261370227	CJQKZZQYHAQLFX-UHFFFAOYSA-N	316.283	1.256	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	66307508	HMWBCUSKKISDIH-VXGBXAGGSA-N	324.352	1.722	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)n(C)n1	174009233	HQPHDSIRWVJZMB-UHFFFAOYSA-N	318.352	1.686	50	20	DDGD	
COc1cc(C)c(S(=O)(=O)NNC(=O)NC(C)C)cc1C	62930789	OVKNGYMKUKATNL-UHFFFAOYSA-N	315.395	1.213	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)CC(C)C)cc1Cl	32588068	IESXCDBSCRLJNJ-UHFFFAOYSA-N	320.798	1.704	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)Cc1cc[nH]n1	186387553	NBNKCRVKTYDNGK-UHFFFAOYSA-N	318.293	1.022	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(C)cc(C)c1	77164094	DUIOREZTWBEYHJ-UHFFFAOYSA-N	305.378	1.369	50	20	DDGD	
Cc1ccnc(O)c1C(=O)NNC(=O)NCCc1cccs1	180980877	NQQLEVNSGYRSAF-UHFFFAOYSA-N	320.374	1.344	50	20	DDGD	
COc1ccnc(NNC(=O)C[C@@H](C)c2c(C)noc2C)n1	129822977	CEFIZTBHMQMGPF-MRVPVSSYSA-N	305.338	1.727	50	20	DDGD	
CC(C)OCCCC(=O)NNc1cccc(S(C)(=O)=O)c1	183933150	MISMJMLOIVREHQ-UHFFFAOYSA-N	314.407	1.738	50	20	DDGD	
Cc1ccc(-c2ncccc2NC(=O)NNC(=O)CO)s1	189470786	RMVFKTKNOGVDJZ-UHFFFAOYSA-N	306.347	1.264	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNc2ccc(F)cc2)c1	181391111	ZCQWVOBPGHKXAR-UHFFFAOYSA-N	303.293	1.916	50	20	DDGD	
Cc1coc2ccc(NC(=O)C(=O)NNc3cnccn3)cc12	185586494	HMMWXRWTFFVXLA-UHFFFAOYSA-N	311.301	1.613	50	20	DDGD	
CC(C)[C@H]1CCCCN1CC(=O)NNC(=O)c1ccccc1	182317604	QVWXHUXRQXRVLY-OAHLLOKOSA-N	303.406	1.958	50	20	DDGD	
O=C(NCCC[C@H]1CCCCO1)NNC(=O)c1ccccc1	186320362	PKCLZXKSFYZOJB-CQSZACIVSA-N	305.378	1.980	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@H]1COc2ccccc2C1	47094264	DJBBNQJBMFTTMZ-LLVKDONJSA-N	307.350	1.729	50	20	DDGD	
CCc1nn(C)c(Cl)c1C(=O)NNC(=O)c1ccccc1O	132556159	PNJMINQSDDIWES-UHFFFAOYSA-N	322.752	1.416	50	20	DDGD	
Cc1nc(-c2ccccc2)ccc1C(=O)NNC(=O)C(C)(C)O	190065835	SQOGPOYENUEWRR-UHFFFAOYSA-N	313.357	1.589	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2	245410145	POYFRPAVFIQUIN-SGMGOOAPSA-N	312.373	1.460	50	20	DDGD	
CN(C)c1ncc(CNC(=O)NNc2c(F)cccc2F)n1C	267588970	ISIDMFYXPNRAHU-UHFFFAOYSA-N	324.335	1.591	50	20	DDGD	
CCOC(=O)c1sc(NC(=O)NNC(=O)OC)cc1C	265696888	JBXWPJPGAAAIDQ-UHFFFAOYSA-N	301.324	1.626	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(OC)cc1C(=O)NC	263969079	HDVJHXHIQZTUJV-MDZDMXLPSA-N	303.318	1.437	50	20	DDGD	
CC[C@@H]1CN(C(=O)NNC(=O)c2ccccc2C)C[C@H](C)O1	264693093	FAKIXIUTQLLHLM-QWHCGFSZSA-N	305.378	1.849	50	20	DDGD	
Cc1ccccc1O[C@H](C)CNC(=O)NNc1ncccn1	266800413	NMICCTHTXJXEIC-GFCCVEGCSA-N	301.350	1.879	50	20	DDGD	
O=C1CCC[C@@H](C(=O)NNc2ccc(Br)cc2)N1	270448473	DVICIJPNMYLEGM-JTQLQIEISA-N	312.167	1.561	50	20	DDGD	
CC1CCC2(CC1)OC[C@@H](CNC(=O)NNc1ncccn1)O2	272061821	GLJGGYWXSQCHAH-MQYJIDSJSA-N	321.381	1.425	50	20	DDGD	
CC1(C)OCC(C)(C(=O)NNC(=O)CNc2ccccc2)CO1	272157852	YOOWFRYYBAZPHA-UHFFFAOYSA-N	321.377	1.035	50	20	DDGD	
CCC1(C(=O)NNC(=O)COc2cccc(C)c2)CCOCC1	272249843	UZNXRIBVBBAYFK-UHFFFAOYSA-N	320.389	1.728	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(Cl)c(F)c1)c1ncnn1C	276891462	LKPPCWHEENINGE-ZETCQYMHSA-N	312.736	1.995	50	20	DDGD	
CCOc1cc2c(cc1NC(=O)NNC(=O)C1CC1)O[C@@H](C)C2	274100946	OXFDCVOKPLPWDU-VIFPVBQESA-N	319.361	1.971	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc3c(s2)CCOC3)n1	279791327	KGLDESIYOOAZJJ-UHFFFAOYSA-N	317.370	1.599	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cnn(CC(F)(F)F)c1	274449862	URMXZOIJZPZVGV-UHFFFAOYSA-N	308.264	1.143	50	20	DDGD	
COC(=O)NNC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1	368737048	FEDZARNTMDUPHX-LLVKDONJSA-N	323.324	1.065	50	20	DDGD	
COCCN(C)NC(=O)/C=C/c1ccc(OC(F)F)cc1	288611818	UVXUNRZGDJSVAO-VMPITWQZSA-N	300.305	1.911	50	20	DDGD	
CCN(C)C(=O)CNC(=O)NNc1ccc2c(O)nccc2c1	287638074	ITODFAMGSYNKLB-UHFFFAOYSA-N	317.349	1.045	50	20	DDGD	
CSSCCNC(=O)N1C[C@H](C)O[C@@]2(CCCOC2)C1	375218089	KAQFXTXRJIXCTD-AAEUAGOBSA-N	320.480	1.977	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)NNc2cc(C#N)cc(Cl)n2)C1	371365324	DFKDOVYZGLBBHA-AWEZNQCLSA-N	321.768	1.308	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)CNc2cccc(OC)c2)C1	286938863	CCYABFCXIHVGAW-UHFFFAOYSA-N	321.377	1.070	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2ocnc2C2CC2)n1	289932054	WLDJQBIIMQYOFQ-UHFFFAOYSA-N	316.365	1.945	50	20	DDGD	
C=CCNC(=S)NNC(=O)C(C)(C)c1ccc(OC)cc1	281343773	VANXLOLFANQBMO-UHFFFAOYSA-N	307.419	1.654	50	20	DDGD	
CC1(C)CC[C@@H]1NC(=O)NNC(=O)Cc1cn2ccccc2n1	287560460	YZEOEZDULYVJRJ-LBPRGKRZSA-N	315.377	1.396	50	20	DDGD	
CSSCCNC(=O)CNC(=O)c1ccc(C#N)cc1	284169873	RLYLFNHKIMCQTR-UHFFFAOYSA-N	309.416	1.415	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H](NC(=O)COC)C(C)C)cc1	294424067	RYDWOYFKMYGGCH-HNNXBMFYSA-N	323.393	1.316	50	20	DDGD	
CCc1ccsc1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	299066162	QFNBPPKAAKPISA-NSHDSACASA-N	316.448	1.416	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)c1	290579421	SLJHFQCDJRLQQF-BIGNPOOSSA-N	310.325	1.329	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccc(C(N)=O)c(Cl)n2)cc1	807117866	AOEKLACEYHLZGW-UHFFFAOYSA-N	315.720	1.462	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1ccc2c(c1)CCCC2=O	295385669	ULMDYCDXXAPSGF-UHFFFAOYSA-N	324.402	1.561	50	20	DDGD	
C[C@H]1CC(=NNC(=O)CNC(=O)c2cccnc2)c2ccccc21	807976670	QKJHZETWQUUGNR-LBPRGKRZSA-N	322.368	1.839	50	20	DDGD	
COc1ccc(C(=O)NCC(Cl)Cl)cc1-n1cnnn1	808129118	MTCSZPPLGPJUKX-UHFFFAOYSA-N	316.148	1.204	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccc1	295392296	LOIUURHTMIYQLB-KBPBESRZSA-N	306.362	1.481	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCc2cc(F)cc(C)c2C1	800472358	MOLXLBBYCHOIGN-LLVKDONJSA-N	307.369	1.438	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccncc1)c1ccsc1	801067885	WRBDOYIQTVQWOM-SNVBAGLBSA-N	304.375	1.777	50	20	DDGD	
N#Cc1ccc(CNC(=O)NNc2cccnn2)cc1Cl	801071277	ASLYDGLQGJMGMC-UHFFFAOYSA-N	302.725	1.828	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)/C=C\c1cccnc1	808045647	PFDLSCCFMYRUEY-HJWRWDBZSA-N	307.350	1.031	50	20	DDGD	
COCCN(C)NC(=O)COc1ccccc1C(F)(F)F	297095988	NBMCVIUAZXQBMR-UHFFFAOYSA-N	306.284	1.694	50	20	DDGD	
COCCn1cc(C(=O)NNc2ncccc2C)c(=O)cc1C	807388903	OSGKYOIWDAJLLD-UHFFFAOYSA-N	316.361	1.263	50	20	DDGD	
CC(C)(C)n1cnc(C(=O)NNC(=O)c2ccccc2F)n1	291005980	UIRWGPPPCLHXGA-UHFFFAOYSA-N	305.313	1.247	50	20	DDGD	
NC(=O)COc1ccc(NC(=O)NNc2ncccc2F)cc1	806203019	ZKUIUUANPXTCAL-UHFFFAOYSA-N	319.296	1.233	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCc2nn[nH]c21)c1cccc(Cl)c1	816807039	UYISEBNYOJEGPD-SNVBAGLBSA-N	319.752	1.339	50	20	DDGD	
CN(NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C1CC1	819652419	OUZJGHBNEILHMM-LBPRGKRZSA-N	302.353	1.649	50	20	DDGD	
CC(Cn1cccn1)=NNC(=O)c1ccc2c(c1)OCCO2	814789038	UTLSRHNLQHHJCB-UHFFFAOYSA-N	300.318	1.460	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NNc2nccnc2Cl)C1	816925962	FKRLHKDABKFSBW-CBAPKCEASA-N	306.757	1.662	50	20	DDGD	
CCOc1ccc(NNC(=O)c2cc([N+](=O)[O-])cnc2N)cc1	817916061	XZXDEHNYMOEVMM-UHFFFAOYSA-N	317.305	1.728	50	20	DDGD	
O=S(=O)(CBr)N1C[C@]2(CCCO2)[C@@H]1C1CC1	815104250	FOSKZRNYXYJXRR-VHSXEESVSA-N	310.213	1.312	50	20	DDGD	
CC(C)C(=O)Nc1cc(C(=O)NNc2ncncc2F)ccn1	817080152	GIZYBADJRPICHP-UHFFFAOYSA-N	318.312	1.362	50	20	DDGD	
CC(=NNC(=O)c1ccc2ccccc2n1)c1cc(CO)on1	812222811	QSKVEBFHBXYZMI-UHFFFAOYSA-N	310.313	1.869	50	20	DDGD	
O=C1CCc2cc(NC(=O)NNc3ncncc3F)ccc2N1	814549092	INTUYJZVGJVDCA-UHFFFAOYSA-N	316.296	1.649	50	20	DDGD	
Cn1c2c(ccc1=O)C(=NNC(=O)Cc1cccnc1)CCC2	814837987	UGMXZGPWTPRZOI-UHFFFAOYSA-N	310.357	1.180	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CCCC2CC2)cc1	813374127	UHAMQNGTFKMHAC-UHFFFAOYSA-N	303.362	1.661	50	20	DDGD	
COc1ccc(CCNC(=O)NNC(=O)C2CCCC2)cc1F	728401152	ZNXBGVJENUGVSS-UHFFFAOYSA-N	323.368	1.897	50	20	DDGD	
O=C(NNC(=O)N1CCO[C@@H]2C[C@H]21)c1ccc2ccccc2c1	814279227	PNFJEWPDYATFMO-HUUCEWRRSA-N	311.341	1.667	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2ccccc2F)[nH]1	814204638	JICDJILEXRMHJL-UHFFFAOYSA-N	305.265	1.015	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)/C=C\Sc1cc(F)ccc1F	823927849	HMZZLVYCBIPPLV-SSJHQANKSA-N	302.346	1.914	50	20	DDGD	
COC1(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CCCCC1	826645241	UAPDAWOQCWHKCG-NEPJUHHUSA-N	313.398	1.091	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2cc(C(F)(F)F)ccn2)CO1	827618993	VLPFEIFUBSKAKX-IONNQARKSA-N	304.272	1.904	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)NC1CCCC1)N1CCCCC1	729347015	BOQHWAUGOOIEMQ-AWEZNQCLSA-N	310.442	1.770	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1c(C)nn(C(C)C)c1C	491378971	RQBFQSPHBGUMDE-UHFFFAOYSA-N	304.372	1.020	50	20	DDGD	
CC(C)[C@@H]1OCCC[C@H]1CNC(=O)/C(C#N)=C/c1cnn(C)c1	491106538	SQPHFXFKHHHWPL-UNLICDLLSA-N	316.405	1.894	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@]2(C)CCO[C@H]2C2CC2)cn1	491138522	ZGGORWQUURRPTR-ZMHPUVCYSA-N	300.362	1.401	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H](c1cccs1)C1CC1	825660400	PCJPSPIRRAIHDM-UFGOTCBOSA-N	323.418	1.955	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H](CC(=O)O)c1ccc(OC)cc1	829817162	BKVAJKVXZQKVKF-WONIAPNHSA-N	318.329	1.771	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1nccnc1C	492368785	AKVHCIRVSZRIGG-UHFFFAOYSA-N	307.354	1.150	50	20	DDGD	
CC(=NNC(=O)CCNC(=O)OC(C)(C)C)c1cn(C)c(C)n1	495778242	UTBLVKZWJAYIDL-UHFFFAOYSA-N	323.397	1.484	50	20	DDGD	
CO[C@@]1(C)CC(=NNC(=O)CNC(=O)OC(C)(C)C)C1(C)C	494539562	OPXQJLPGFSUAAV-HNNXBMFYSA-N	313.398	1.818	50	20	DDGD	
COCN1C(=O)CCc2cc(NC(=O)NN(C)C3CC3)ccc21	824320905	OLINLBVTCMZRRD-UHFFFAOYSA-N	318.377	1.700	50	20	DDGD	
CCOC1CC(CCNC(=O)NNC(=O)OC(C)(C)C)C1	492726783	YPTGUIHDWWCEJV-UHFFFAOYSA-N	301.387	1.931	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NNc2cnccn2)cc(C#N)n1C	491007145	FSQKNMPCWCASNC-LFYBBSHMSA-N	307.317	1.045	50	20	DDGD	
CCN(CCO)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-]	823879832	TVPZQZREIUKDDD-UHFFFAOYSA-N	319.720	1.275	50	20	DDGD	
Cc1ccc(Cl)c(O[C@@H](C)C(=O)N2CC[C@@H](B(O)O)C2)c1	585076990	PEEMWRHSOJYHRN-WDEREUQCSA-N	311.574	1.491	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(Br)cc1C	823852929	SVUHVDIDJQTLAU-UHFFFAOYSA-N	301.184	1.717	50	20	DDGD	
COc1ccc(C(=O)O)cc1C=NNC(=O)[C@H]1CCCS1	901255044	PVVXTALIKNVVTI-GFCCVEGCSA-N	308.359	1.739	50	20	DDGD	
Cn1c(=NNC(=O)CCOCC(F)F)sc2ccccc21	588581052	FOPRQZVHWCPZLE-UHFFFAOYSA-N	315.345	1.844	50	20	DDGD	
COc1ccc(C(=O)NNc2nnc(C)c(O)n2)c(Cl)c1	731050353	HXMNCZLBEQCQCU-UHFFFAOYSA-N	309.713	1.305	50	20	DDGD	
CO[C@H](C)CNC(=O)NNC(=O)COc1cc(C)cc(C)c1	821722438	KOKFIXXKMWBRND-GFCCVEGCSA-N	309.366	1.048	50	20	DDGD	
C[C@H]1SCC[C@H]1NC(=O)NNC(=O)COCc1ccccc1	826055809	LBZILGVOAISWLM-DGCLKSJQSA-N	323.418	1.428	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)c1c[nH]c(-c2nn[nH]n2)c1	826447423	FISYGJUFOMEZSQ-UHFFFAOYSA-N	304.701	1.000	50	20	DDGD	
CO[C@@H]1CCC[C@H](Cc2nc(-c3ccc(B(O)O)cc3)no2)C1	585053138	BRHKKSDSDRDEMD-SMDDNHRTSA-N	316.166	1.164	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@@H](O)c2ccco2)cc(C#N)n1C	491013448	UJCQXVMRPDPEHU-MRHLJLSQSA-N	324.340	1.555	50	20	DDGD	
Cc1nnc2ccc(C(=O)NNc3nccnc3Cl)cn12	734261340	QQLBOXISPWXKJS-UHFFFAOYSA-N	303.713	1.238	50	20	DDGD	
CSCCNC(=S)NNC(=O)Cc1sc(C)nc1C	901292197	RWZUGPKRIOBSSA-UHFFFAOYSA-N	318.493	1.161	50	20	DDGD	
CCOc1ccc(N(CC)CC(=O)NNC(=O)C2CC2)cc1	733194840	QOALLKRBXXRVOB-UHFFFAOYSA-N	305.378	1.469	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(C)C[C@@]1(O)CCc2ccccc21	491051807	UFEZTTOIOBVSLG-IFCKCIONSA-N	300.358	1.723	50	20	DDGD	
O=C(NNc1ccc(F)cn1)NC1CCN(CC2CC2)CC1	731360017	WCEGKJDBHRRHSA-UHFFFAOYSA-N	307.373	1.721	50	20	DDGD	
CC(C)c1nc(CCNCc2ccc(B(O)O)cc2F)cs1	585021087	PBKNDVWVMRTOBY-UHFFFAOYSA-N	322.214	1.418	50	20	DDGD	
C[C@]1(C(=O)NNc2ncc(F)cc2F)C[C@H]1Br	909546579	MWOZOEIMFKVIOK-XCBNKYQSSA-N	306.110	1.976	50	20	DDGD	
CCc1nn(C)cc1NC(=O)NNc1cccc(C(=O)O)c1	833677739	ANXCOVIRCLNMPR-UHFFFAOYSA-N	303.322	1.829	50	20	DDGD	
C=C(Cl)CNC(=O)NNC(=O)c1cc(OC)cc(OC)c1	736400425	WEKAAYDAEBHKMB-UHFFFAOYSA-N	313.741	1.400	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ncoc1-c1ccccc1	732552876	FCURRTRURMRDTI-UHFFFAOYSA-N	318.333	1.322	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCCc1ccc(NC(=O)O)cc1	737130289	WOTXPUBEUBFRFS-ZRDIBKRKSA-N	303.318	1.879	50	20	DDGD	
O=C(O)Nc1cccc(C(=O)NNC(=O)Cc2ccncc2)c1	833291975	XJVCGOZNFBBUJP-UHFFFAOYSA-N	314.301	1.175	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CCNC2=O)ccc1Br	830805741	BPFQADINOLPUFF-VIFPVBQESA-N	312.167	1.337	50	20	DDGD	
OB(O)c1ccc(CNCc2nc(C(F)(F)F)cs2)cc1	585024936	IAENQRNKGZKLAF-UHFFFAOYSA-N	316.113	1.132	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc(Cl)c2c(c1)OCO2	731853224	UTQXBSDHLAHUEX-UHFFFAOYSA-N	322.708	1.175	50	20	DDGD	
COC[C@H](OC)C(=O)NNc1ccccc1Br	830772145	ZRAVKNKKEHYHQF-JTQLQIEISA-N	303.156	1.554	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)Cn2nnc(-c3ccccc3)n2)[C@@H](C)O1	834921101	PADMDHVFELSVBE-GHMZBOCLSA-N	314.349	1.010	50	20	DDGD	
CC[C@H]1CCCN1CC(=O)NNC(=O)c1ccc(C#N)cc1	839480292	QNCGDACVRFSDCX-AWEZNQCLSA-N	300.362	1.194	50	20	DDGD	
O=C(NCCOC[C@H]1CCOC1)NNc1cc(F)ccc1F	917801292	KNFZVRYIVNKORS-JTQLQIEISA-N	315.320	1.644	50	20	DDGD	
CCCC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)[C@H]1CC1(C)C	841615761	FPHNOLMHXSKXHG-GHMZBOCLSA-N	300.424	1.740	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C(C)C)nnn1-c1ccc(F)c(F)c1	843756170	SRJOZNDGUXNNPS-UHFFFAOYSA-N	323.303	1.271	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CSCC(C)=O)cc1C	749091109	BUSNWDIMFWUUDH-UHFFFAOYSA-N	314.432	1.702	50	20	DDGD	
Cc1cc(C(=O)NNc2cccnn2)ccc1N1CCOCC1	843854014	XKIMXRHMQZRKHY-UHFFFAOYSA-N	313.361	1.379	50	20	DDGD	
C[C@H](CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)CC(C)(C)C	917621606	GDSQXQHGYSXPCQ-CHWSQXEVSA-N	318.483	1.941	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc2c1OC(C)(C)C2	847094494	BGYNBAAVJYYOEW-PWSUYJOCSA-N	318.373	1.586	50	20	DDGD	
Cc1cc(C(=O)NN(C)C[C@H](C)O)nn1-c1cccc(C#N)c1	910151854	JVEWMJNNVHTEJN-LBPRGKRZSA-N	313.361	1.010	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1sccc1OC(F)F	843650318	BBEBFPNKZWFYNV-NKWVEPMBSA-N	320.317	1.536	50	20	DDGD	
CCc1ccc(NC(=O)NN(C)C(=O)N2CCNCC2)cc1C	841167586	GFSHBSKLWGSDBU-UHFFFAOYSA-N	319.409	1.551	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)[C@H]1CC12CCCC2	747348261	MUEWNIAQNCWJSO-CYBMUJFWSA-N	306.337	1.932	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc2c1CCNC2=O	841782305	LEUQQICMEPUDMR-VIFPVBQESA-N	304.350	1.171	50	20	DDGD	
C[S@](=O)c1ccc(C(=O)NNC(=O)CC(F)(F)F)cc1	918703615	DOCXQYGDYTUGIC-FQEVSTJZSA-N	308.281	1.137	50	20	DDGD	
COc1ccc(NNC(=O)c2cn(Cc3ccccn3)nn2)cc1	746886968	PJCNSWCLPYNROW-UHFFFAOYSA-N	324.344	1.487	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2ccc(O)c(O)c2O)cs1	916317938	XZNNIKRVTSCRKE-UHFFFAOYSA-N	307.331	1.261	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1csc(C(C)(C)C)n1	843648579	REXBMPRPCJJXDS-BDAKNGLRSA-N	311.407	1.627	50	20	DDGD	
COC(=O)NCC(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	912580011	LZASGYQYVYCQDW-NSHDSACASA-N	316.474	1.965	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2F)cn1	747329935	SXFUHBVRJIGUQO-UHFFFAOYSA-N	317.707	1.930	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)COc1cccc(Cl)c1	843644407	FEBGVJINJBCNKD-CABZTGNLSA-N	312.753	1.291	50	20	DDGD	
C[C@H](Cc1ccncc1)NC(=O)NNC(=O)CC(F)(F)F	749620787	ORFXFMXITLQDSO-MRVPVSSYSA-N	304.272	1.295	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)nn1	847443801	DWRQXKURTDAXRA-CHWSQXEVSA-N	304.398	1.428	50	20	DDGD	
COc1nc(N(C)C)sc1C=NNC(=O)CC(F)(F)F	917550226	BSVQJGMBMKZBLW-UHFFFAOYSA-N	310.301	1.620	50	20	DDGD	
O=C(NNc1ccc(F)cc1)C1(n2cnnn2)CCCCC1	845145657	XZAIQDIUOMMLMT-UHFFFAOYSA-N	304.329	1.615	50	20	DDGD	
C=CC(=O)N(CC)CC(=O)NC[C@]1(C)C[C@@H]1Br	912826995	FRFLYNLDTDSUCF-CABZTGNLSA-N	303.200	1.311	50	20	DDGD	
COc1ccc(NCC(=O)NN=C2CCN(C)[C@H](C)C2)cc1	741454262	YVPRXVPJDFDXBG-GFCCVEGCSA-N	304.394	1.693	50	20	DDGD	
C[C@@H](CC(=O)NNc1ncc(F)cn1)N1CCc2ccccc21	847620470	LRZGBJYMHROMFR-NSHDSACASA-N	315.352	1.900	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC2CCCC2)n2nc(C)cc2n1	749940770	MFYANYXZKXATKK-UHFFFAOYSA-N	315.377	1.687	50	20	DDGD	
CCC(CC)(CO)C(=O)NNC(=O)c1cccc(N(C)C)c1	847295845	PXDITSQAZLCKAK-UHFFFAOYSA-N	307.394	1.312	50	20	DDGD	
C[C@@H](COCC1CC1)NC(=O)NNC(=O)c1ccccc1F	845576852	SECLQAVJQHBIAT-JTQLQIEISA-N	309.341	1.585	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@H]2CCC(=O)C2)c1C	843755126	AOLFZSKJBWVJEG-STQMWFEESA-N	318.373	1.587	50	20	DDGD	
O=S(=O)(CCCCl)N1CCCN(CC(F)(F)F)CC1	882241307	NUYUZFBPNVGKFD-UHFFFAOYSA-N	322.780	1.515	50	20	DDGD	
C[C@@]1(CNC(=O)CN2CCSC2=O)C[C@H]1Br	857403029	HTCXKRFVNMFFNU-XCBNKYQSSA-N	307.213	1.445	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@@H]2CCC(=NNC(=O)CO)C[C@H]2C1	842530222	IDKAMMHYAXKDOG-QWRGUYRKSA-N	311.382	1.118	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2ncccn2)[C@H]1c1ccccc1	841592679	VLWQTBRFLYCJLX-WCQYABFASA-N	311.345	1.524	50	20	DDGD	
CCNC(=O)NN=Cc1cc(Br)c(O)c(OC)c1	920828667	PNGYXHAGEWLINW-UHFFFAOYSA-N	316.155	1.816	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccnc(F)c2)cc1OC	748696203	FFOGBZBXQPBDJW-UHFFFAOYSA-N	319.292	1.313	50	20	DDGD	
COc1cc(F)c(/C=C(\C#N)S(=O)(=O)N(C)C)cc1OC	844550261	GXTRSQDTXUGSJX-BJMVGYQFSA-N	314.338	1.599	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)Cn1cccn1	920427594	GBRFJOIIPHBLHJ-UHFFFAOYSA-N	317.418	1.772	50	20	DDGD	
CCC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1cccs1	920382451	YBDJTOFSCFSIGO-VIFPVBQESA-N	315.420	1.349	50	20	DDGD	
CCCN(CCC)CCCC(=O)NNC(=O)c1cccc(F)n1	856424770	TUBOMFLNMOUITP-UHFFFAOYSA-N	324.400	1.884	50	20	DDGD	
CCN1CCC(NC(=O)NNC(=O)c2cc(C)cs2)CC1	858272380	HSXCPZZAMYKMDS-UHFFFAOYSA-N	310.423	1.485	50	20	DDGD	
O=C(NCCCN1CCCCC1)NNC(=O)c1cccc(F)n1	853247749	ZRGPPBRPAPRDQT-UHFFFAOYSA-N	323.372	1.041	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)co1	759972548	DAMILBRQJXTMTJ-UHFFFAOYSA-N	324.680	1.697	50	20	DDGD	
CO/C(=C\c1ccccc1)C(=O)NNC(=S)N[C@@H](C)C1CC1	855100176	WGMSRMGBWUKTKP-HKLRHMNMSA-N	319.430	1.968	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)CCOC1	754359836	YFOUJRIMKLKTCF-INIZCTEOSA-N	301.346	1.284	50	20	DDGD	
CCn1c(C)cc(C(=O)NNC(=O)c2cccc(F)n2)c1C	856422254	PZXVYTMQBLXKQS-UHFFFAOYSA-N	304.325	1.734	50	20	DDGD	
N#Cc1cccc(C(=O)NN=C2C(=O)Nc3c(F)cccc32)c1	753959454	IXNCXFXUBINNPS-UHFFFAOYSA-N	308.272	1.784	50	20	DDGD	
CO[C@H](CC(=O)NNC(=O)OCC(F)(F)F)C(F)(F)F	856026362	VYDRJSKTFWHSMN-SCSAIBSYSA-N	312.166	1.274	50	20	DDGD	
Cc1nc(Cl)ccc1C(=O)NNC(=O)OCC(F)(F)F	856021488	HECLXHZPKAFTAE-UHFFFAOYSA-N	311.647	1.977	50	20	DDGD	
Cc1noc(C(C)C)c1C(=O)NNC(=O)c1cccc(F)n1	856421615	CXQVZXVYMIZDID-UHFFFAOYSA-N	306.297	1.715	50	20	DDGD	
COC(=O)N(C)NC(=O)CN(C(=O)OC(C)(C)C)C(C)C	854409024	FSFOGBFCSZFSRQ-UHFFFAOYSA-N	303.359	1.361	50	20	DDGD	
C[C@](O)(CC(=O)NNC(=O)NCCc1cccs1)C1CC1	755664658	NKSOBBKODOSGPE-AWEZNQCLSA-N	311.407	1.172	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(Cl)cn1)N1CCSCC1	856093262	RROWXZAEAJNEPF-VIFPVBQESA-N	300.815	1.615	50	20	DDGD	
CNS(=O)(=O)CCN(C)CCO[Si](C)(C)C(C)(C)C	856751501	APTMHAPHYPENSN-UHFFFAOYSA-N	310.536	1.489	50	20	DDGD	
Cc1noc(C)c1S(=O)(=O)NC[C@]1(C)C[C@H]1Br	856756494	PYCOUTARULJZTO-SCZZXKLOSA-N	323.212	1.743	50	20	DDGD	
O=C(CCc1nc[nH]n1)NNC(=O)c1cccc2ccccc12	750613927	SFSCDDWCGVBQDL-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
O=C(CN1CCOCC1)OC[C@@H](CBr)C1CC1	859627316	UOBWUCASPRZGKT-LLVKDONJSA-N	306.200	1.283	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cncc(F)c2)c1O	759220693	WUGSZZNBPXVGAB-UHFFFAOYSA-N	305.265	1.010	50	20	DDGD	
CCOC(=O)C(F)(F)[C@@H]1CCC(=NNC(=O)c2cc[nH]n2)C1	853392355	MXLQWJFREWFSNN-MRVPVSSYSA-N	314.292	1.494	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCc2ccnn2CC)cc1	852715741	VZISQCPKKCOKHJ-UHFFFAOYSA-N	315.377	1.610	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cnn(C)c1C1CC1)C1CC1	855102311	JIUXPIMPKQJUFE-MRVPVSSYSA-N	307.423	1.205	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	758908628	HOLIHSQKGZLOBP-SNVBAGLBSA-N	322.365	1.105	50	20	DDGD	
Cc1[nH]nc(C(=O)NNCC(F)(F)C(F)(F)F)c1[N+](=O)[O-]	863093960	IESXUGHMVLYKCV-UHFFFAOYSA-N	317.174	1.058	50	20	DDGD	
O=C(Cn1ccnc1C1CC1)NNC(=O)c1ccc(Cl)cc1	863385468	FUXUVRRAPXSVKF-UHFFFAOYSA-N	318.764	1.875	50	20	DDGD	
CCC(=NNC(=O)CS(C)(=O)=O)c1ccc(N(C)C)cc1	863188126	ZCMHCVJOMHQSFF-UHFFFAOYSA-N	311.407	1.028	50	20	DDGD	
CN(CC(=O)NNc1ccc2c(=O)[nH]ccc2c1)C1CCC1	863914386	LXNZTFUFNKHEOK-UHFFFAOYSA-N	300.362	1.456	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N2C[C@H]3CC=CC[C@H]3C2)cc1	868178251	MOEDTGGUWBQAKB-GASCZTMLSA-N	310.357	1.811	50	20	DDGD	
O=C(NNC(=O)C1(Cc2cccc(F)c2)CCC1)c1cn[nH]c1	862471280	YOFYFTJWYIBHLZ-UHFFFAOYSA-N	316.336	1.723	50	20	DDGD	
COCCOCC(=O)NNC(=O)[C@@H](C)c1cccc(Cl)c1	869909590	CNMMDEISLQDYKD-JTQLQIEISA-N	314.769	1.254	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c(C)nn1	767192739	ZDHZSNFBNPXPMX-UHFFFAOYSA-N	323.356	1.578	50	20	DDGD	
CSCc1cccc(NC(=O)C(=O)NNc2cnccn2)c1	766256275	GBWOQBOIDZIMHQ-UHFFFAOYSA-N	317.374	1.421	50	20	DDGD	
C[C@H](NNC(=O)c1c(Br)cnn1C)C(F)(F)F	862323974	YNKIPRAKNZQEAO-BYPYZUCNSA-N	315.093	1.368	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@@H](C)c1ccc[nH]1	760347134	DGAXWHYQAVMRON-NSHDSACASA-N	316.361	1.657	50	20	DDGD	
Cc1cc(C[C@H](C)NS(=O)(=O)CC(C)(C)CCl)n[nH]1	867334619	BRRBUYAXGFMYIO-JTQLQIEISA-N	307.847	1.834	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1cc([N+](=O)[O-])cnc1O	768500823	WWXIPHJQPACOIF-UHFFFAOYSA-N	314.261	1.329	50	20	DDGD	
CC(C)CCn1ccc(NC(=O)NNC(=O)c2cn[nH]c2)n1	860786595	FCHVUJNCGJZJOU-UHFFFAOYSA-N	305.342	1.119	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1	763816724	MJUOYUOIQDSQCE-UHFFFAOYSA-N	318.160	1.735	50	20	DDGD	
COc1ccc(COCC(=O)NN=c2cc[nH]c(C)c2)cc1	862510860	WTCCQNSSWJAXFJ-UHFFFAOYSA-N	301.346	1.480	50	20	DDGD	
COCCOCC(=O)NNC(=O)C1(c2ccc(C)cc2)CCC1	869905122	ITKOGTUFXISVEY-UHFFFAOYSA-N	320.389	1.227	50	20	DDGD	
CC(C)[C@H](NS(=O)(=O)CC(C)(C)CCl)c1nncn1C	867257453	PJWNPKHFGYOGQP-JTQLQIEISA-N	322.862	1.697	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1C	861452003	KBBILQUNVOKMKM-QWRGUYRKSA-N	307.350	1.581	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cnn(CCN(C)C)c1	867850400	BZELANDPTDAZCN-UHFFFAOYSA-N	317.397	1.115	50	20	DDGD	
Cc1ccccc1C[C@H](C)C(=O)NNc1ccc(C(N)=O)nn1	863895121	HMYKFQSCYDAXHG-NSHDSACASA-N	313.361	1.206	50	20	DDGD	
CN1CCC(=NNC(=O)COc2ccc3ccccc3c2)C1=O	761782267	REXRQGDBUUKQHB-UHFFFAOYSA-N	311.341	1.553	50	20	DDGD	
COCCOc1ccccc1C(=O)NN[C@H](C)C(F)(F)F	862309504	RGOBVMMECXHHRF-SECBINFHSA-N	306.284	1.897	50	20	DDGD	
OB(O)c1cccc(CNc2ccc(OC(F)F)cc2F)c1	864036689	WTZZEMQUHYAZCD-UHFFFAOYSA-N	311.068	1.719	50	20	DDGD	
Cc1cc(C=NNC(=O)CNC(=O)c2cccs2)c(C)o1	767908734	YGHQPWCSLPEFLC-UHFFFAOYSA-N	305.359	1.838	50	20	DDGD	
COC(=O)c1coc(C(C)=NNC(=O)Cc2csc(C)n2)c1	766432436	KYAJXYCCUGUORJ-UHFFFAOYSA-N	321.358	1.914	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)N1CCc2c(Cl)cccc21	764343278	SSCBCBAOTPEONP-UHFFFAOYSA-N	321.764	1.177	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)Cc2ccco2)c1	760280255	VKGIDRQBABWOQZ-UHFFFAOYSA-N	303.318	1.090	50	20	DDGD	
CN(CC(=O)NNC(=O)Cc1ccc(F)cc1)CC(C)(C)C	873808334	JLXVFSSXHMJSJH-UHFFFAOYSA-N	309.385	1.494	50	20	DDGD	
CC1=C(C(=O)NNC(=S)Nc2ccccn2)SCCO1	874956103	LDLFLRMBHDQADE-UHFFFAOYSA-N	310.404	1.394	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)[C@@H]2CCC(=O)C2)cc1	874954575	ZZERQRMAESADDC-SNVBAGLBSA-N	320.418	1.439	50	20	DDGD	
Cc1cccc(NNC(=O)NC2CN(C(=O)OC(C)(C)C)C2)n1	875356010	VEJIXCMHGKZVGK-UHFFFAOYSA-N	321.381	1.635	50	20	DDGD	
CC(=O)N1CCC[C@@H](C(=O)OC[C@@H](C)CBr)C1	770329232	BCOFDADEHALPMW-GXSJLCMTSA-N	306.200	1.819	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc(NC(=O)[C@H](C)OC)c1	878464491	ZCKUKUMVXKVOHG-NSHDSACASA-N	324.381	1.275	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H]2CC[C@H](C)C2)cn1	776345556	SWLZVVCVJBQFCC-VHSXEESVSA-N	308.407	1.844	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN[C@@H](C)C2CCOCC2)cc1	775456205	YSCJMDNZBJWDCZ-ZDUSSCGKSA-N	319.405	1.161	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1	875142080	ZEVWGMJZMLMEBZ-TZMCWYRMSA-N	320.393	1.734	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCOc2ccccc21	772088381	NNSSHKRURDZLRK-JQWIXIFHSA-N	320.345	1.042	50	20	DDGD	
CN(C[C@H]1C[C@@H](O)C1)C(=O)NC[C@]1(C)C[C@H]1Br	875757325	DKMYDNBFCRJSKR-KLBPJQLPSA-N	305.216	1.572	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1coc(C2CC2)n1	776847560	VMEDVYLRIRCPTK-UHFFFAOYSA-N	315.329	1.530	50	20	DDGD	
N#CC1=CCN(CC(=O)NCCc2c(F)cccc2F)CC1	779587635	QJGZOWKAPJJIBC-UHFFFAOYSA-N	305.328	1.779	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(C(=O)N(C)C)cc1F	879891000	QNOYGWNAYDGRBZ-UHFFFAOYSA-N	312.345	1.142	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CS[C@H]2CCCOC2)c1	779834386	SABAMYDHBQYYLE-ZDUSSCGKSA-N	308.403	1.668	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(C)n(CC)c1C	771909670	QXSMHFBXRPSLPA-LLVKDONJSA-N	309.366	1.228	50	20	DDGD	
Cc1cc(C(=O)NN(C)C(N)=O)nn1-c1ccc(Cl)cc1	778412302	SIZMXRIACSHUCW-UHFFFAOYSA-N	307.741	1.489	50	20	DDGD	
C[C@@H](CCNC(=O)NNC(=O)c1cccnn1)c1ccccc1	883269825	XQSCXQZQRNEROS-LBPRGKRZSA-N	313.361	1.614	50	20	DDGD	
CC(C)[C@@](C)(O)C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1	771441974	XBSWJBQNKKDHCW-CQSZACIVSA-N	322.390	1.306	50	20	DDGD	
CCN(CC)CCC(=O)NN=C(C)C1CCS(=O)(=O)CC1	777426807	KUCYWGWVWUUGGD-UHFFFAOYSA-N	317.455	1.035	50	20	DDGD	
Cn1nccc1[C@H]1CCCCN1S(=O)(=O)CCCCl	882154482	QFNNAQJXDRVWDX-GFCCVEGCSA-N	305.831	1.906	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ccccc2)cc1F	775530425	YABBEPUBHPRZGK-UHFFFAOYSA-N	303.293	1.916	50	20	DDGD	
CCO[C@@H](CCNC(=O)NNC(=O)C1CCOCC1)C(C)C	883487721	VZCDFIVDEPGKDB-ZDUSSCGKSA-N	315.414	1.195	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN[C@H]2CCCC[C@@H]2C)c1	771793236	KERCETCMSCVXKN-ZFWWWQNUSA-N	303.406	1.924	50	20	DDGD	
CC1(C)OCC(C)(C(=O)NNC(=O)CCc2ccccc2)CO1	775603461	FZDZSURZIDIZQI-UHFFFAOYSA-N	320.389	1.556	50	20	DDGD	
CC[C@@H]1CO[C@H](C)CN1CC(=O)NNC(=O)c1cccc(C)c1	777554719	GOXHPFIXOSZMRC-UKRRQHHQSA-N	319.405	1.255	50	20	DDGD	
CNC(=O)C1(C(=O)OC[C@@]2(C)C[C@@H]2Br)CCC1	1123141957	OMRNEWLKRZLKAW-GZMMTYOYSA-N	304.184	1.619	50	20	DDGD	
CC(=O)N1C[C@@H](C(=O)N2CC=C(C#N)CC2)Oc2ccccc21	780689091	SOZSAXRPVBVZSB-INIZCTEOSA-N	311.341	1.483	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)C1CCOCC1)c1ccc(F)cc1	883072788	YUUYLEDPTORFFF-ZDUSSCGKSA-N	310.325	1.087	50	20	DDGD	
COc1ccc(NNC(=O)CNC(=O)Nc2ccccc2)nc1	781524857	ABBBFGYAADMTAV-UHFFFAOYSA-N	315.333	1.355	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(F)cc1Cl)N1CCN(C)CC1	885135821	NRJWTZKOTUCGNT-SNVBAGLBSA-N	314.792	1.558	50	20	DDGD	
CC[C@@H](C)n1nc(NC(=O)C(=O)NNc2ccccn2)cc1C	784792119	SWHFWAJODWQGST-SNVBAGLBSA-N	316.365	1.639	50	20	DDGD	
COCCN(CCOC)C(=O)[C@H](Br)C(C)(C)C	781066508	IBLRKXGMCUMPQM-JTQLQIEISA-N	310.232	1.917	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@H]1COc2cc(OC)ccc21	887145638	LSERUNWNJTZCQT-LBPRGKRZSA-N	316.357	1.512	50	20	DDGD	
COC(=O)[C@H](NNC(=O)C1CC1)c1ccccc1C(F)(F)F	782899004	FFZXUKSBQJMYDI-LLVKDONJSA-N	316.279	1.950	50	20	DDGD	
Cn1c(=NNC(=O)[C@@]2(C)CCCOC2)sc2ccccc21	781102653	ITOANCOSDIMKLX-HNNXBMFYSA-N	305.403	1.988	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H](C(=O)NNC(=O)CC(F)(F)F)C1(C)C	781911500	YONDENQVUMCFNM-SFYZADRCSA-N	308.300	1.728	50	20	DDGD	
O=C(NNC(=O)[C@H](F)C(F)(F)F)c1ccc2ccccc2n1	788267240	LFRCHKMYTGLYAL-JTQLQIEISA-N	315.226	1.896	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2CCC2)c(OC(F)F)c1	789760517	WFFNBTJUNKGHET-UHFFFAOYSA-N	314.288	1.858	50	20	DDGD	
COc1cc(NNC(=O)NCCCn2cncn2)ccc1Cl	788858345	JMVGBDDVEYUCIY-UHFFFAOYSA-N	324.772	1.657	50	20	DDGD	
COCc1cc(C=NNC(=O)c2c(C)nc3ccccn23)no1	794869300	VTXJCRZRFFDROG-UHFFFAOYSA-N	313.317	1.541	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=C1CCCC[C@H]1N1CCCCC1	794458332	XJEYJXOOARHAHX-QGZVFWFLSA-O	315.441	1.875	50	20	DDGD	
Cc1oc(C#N)cc1C(=O)NNC(=O)c1cccc(N(C)C)c1	797799836	ONCSZZBFOGTLGG-UHFFFAOYSA-N	312.329	1.601	50	20	DDGD	
CC(C)OC(=O)CC[C@@H](C)NC(=O)NNC(=O)C(C)(C)C	792305347	WPZYJVXYWYSFNF-SNVBAGLBSA-N	301.387	1.483	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCNC(=O)c1cccs1	791018097	LYCREOUETADMRS-UHFFFAOYSA-N	319.390	1.508	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)Cc2cccnc2)[C@@H](n2cncn2)C1	794508778	RWTBJHOEASBHIQ-WFASDCNBSA-N	312.377	1.749	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)COc1ccc(C)c(C)c1)C(=O)OC	790113824	LFQLEZMFRILHEJ-CYBMUJFWSA-N	322.361	1.029	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)[C@H]1CCC(F)(F)C1	794865518	ORCKXADYYAKPTN-VIFPVBQESA-N	316.279	1.787	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@](C)(O)C(C)C)cc1	792802925	LYJJSBRIMQXZHJ-MRXNPFEDSA-N	308.378	1.182	50	20	DDGD	
C=CCNc1ncc(C(=O)NNC(=O)c2cccc(C)n2)s1	795674588	FDNFBELRIJMJSR-UHFFFAOYSA-N	317.374	1.519	50	20	DDGD	
COc1ccc([C@@H](C)C(C)=NNC(=O)CN(C)C)cc1OC	794507175	YFQYEXZEULHFMN-NSHDSACASA-N	307.394	1.861	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1coc2ccccc12	798314480	NFAXZPBSWLUTBO-UHFFFAOYSA-N	301.224	1.939	50	20	DDGD	
CSSCCNC(=O)N1CCC(NC(=O)C(C)C)CC1	790883142	ULSMXPYQOWMDSU-UHFFFAOYSA-N	319.496	1.944	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)Cc1ccco1	795161940	UIHKGMAQOFABEI-UHFFFAOYSA-N	323.374	1.216	50	20	DDGD	
O=C(Cc1coc(-c2ccccc2)n1)NNC(=O)c1ccncc1	1317738543	QVAXXPJVMPEDMT-UHFFFAOYSA-N	322.324	1.740	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)N[C@@H]1C=CCCC1	1323792917	BAVVJJSOUFYDOQ-GFCCVEGCSA-N	319.361	1.513	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNc1ccccc1S(C)(=O)=O	1323978519	WFGMZIHSGGNDDZ-UHFFFAOYSA-N	322.390	1.197	50	20	DDGD	
COCc1cccc(NC(=O)C(=O)NNc2ccc(C)nn2)c1	1326071934	UHHBLFCGCALBHZ-UHFFFAOYSA-N	315.333	1.013	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNc2cncc(Br)c2)CO1	1326081953	CVKFGGMTAWOWGS-HTQZYQBOSA-N	300.156	1.712	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)cc1	1328383676	BYFLHKYGWXVMSJ-JKOKRWQUSA-N	319.430	1.993	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCN(C)c2ccccc21	1322039867	LNRPYUMBFTZHFP-GFCCVEGCSA-N	305.378	1.398	50	20	DDGD	
O=C(NNC(=O)C1(F)CCCC1)c1cncn1-c1ccccc1	1255110685	KIKSCCGHVDGKQJ-UHFFFAOYSA-N	316.336	1.916	50	20	DDGD	
Cc1ccc(C(=O)NN=C2CCCC[C@@H]2S(C)(=O)=O)cc1O	1330890866	BOCFUUMDOBSHAC-AWEZNQCLSA-N	324.402	1.774	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)COCC2CCCC2)cc1	1261281439	UGUNSIDXVALYFK-UHFFFAOYSA-N	306.362	1.663	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H]2[C@@H](C)C2(F)F)c1	1518760497	IWYNLLOKRHNROA-MFKMUULPSA-N	312.316	1.731	50	20	DDGD	
O=C(O)[C@H](CCF)NC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	1601645979	XLPMHPNHIDXCEP-APOZVJGGSA-N	322.174	1.869	50	20	DDGD	
O=C(O)[C@@H](C(=O)NNc1ncccc1C(F)(F)F)C1CC1	1605900464	BJCGQXUKAZLLTK-MRVPVSSYSA-N	303.240	1.654	50	20	DDGD	
CC[C@H](C)[C@@H](NNC(=O)COc1ccccc1OC)C(=O)O	1604943587	GSYGXOHBEHDFIQ-IINYFYTJSA-N	310.350	1.194	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2ccc(C(=O)O)cc2F)CCO1	1604676880	QACHFAMUWJDNND-WPRPVWTQSA-N	311.313	1.718	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)NC[C@@H]2C[C@H]2C2CC2)cc1	1602127915	FKPZETSGXRFRKG-JSGCOSHPSA-N	303.362	1.986	50	20	DDGD	
N#CC[C@@H](C(=O)NNc1ncccc1C(=O)O)c1ccccc1	1605581649	FZEHPFYOGLBOBI-GFCCVEGCSA-N	310.313	1.920	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCS1)Nc1ccc(C(=O)O)s1	1601553391	GAVZKLYPAUULOK-LURJTMIESA-N	315.376	1.495	50	20	DDGD	
O=C(NN=Cc1cc(C(=O)O)c2n1CCCC2)c1ncccn1	1601553180	WPAZAPUUUTWNEI-UHFFFAOYSA-N	313.317	1.077	50	20	DDGD	
CC(C)n1cc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cn1	1603428978	MDWMSDIDVRYEOI-UHFFFAOYSA-N	312.337	1.401	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2CCCc3n[nH]cc32)cccc1C(=O)O	1600052638	OHQWJIODEYKBRP-LLVKDONJSA-N	314.345	1.980	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCO[C@@H](CC(=O)O)C1	1610618252	DWUONEDZRZEQMN-VDBIKXPHSA-N	318.304	1.435	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cccc(Cl)c2O)nc1	1610835971	OGRPGFJNRAPSCH-UHFFFAOYSA-N	307.693	1.896	50	20	DDGD	
CN([C@H](CO)Cc1ccccc1)S(=O)(=O)CBr	849408203	YKAGLUGSLXKHKC-NSHDSACASA-N	322.224	1.204	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)[C@H](N)CC3CC3)cc2C1	1576758394	JWMICMUZSFTLMK-JOYOIKCWSA-N	321.446	1.761	50	20	DDGD	
O=C([C@@H]1CCCOC1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843367566	NFJSBPIFDCOOCQ-GHMZBOCLSA-N	318.776	1.151	50	20	DDGD	
O=C(NNc1ncccc1Cl)[C@@H]1CCN[C@H]([C@@H]2CCCO2)C1	1580743293	XTIRZCLVRJUBLJ-WXHSDQCUSA-N	324.812	1.725	50	20	DDGD	
C=CC[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl	1847562461	FNODLPBEQACMKZ-CYDGBPFRSA-N	314.813	1.000	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNc1cccc(Cl)n1)C(=O)O	1588825445	SBPZPMGJPJJQDZ-MRVPVSSYSA-N	300.746	1.718	50	20	DDGD	
CC[C@@H]1C[C@@H](CC(=O)NNc2ccc(C(=O)O)cn2)CCO1	1595413509	NSULNMKDILOGOV-CMPLNLGQSA-N	307.350	1.818	50	20	DDGD	
C[C@@H]1CCC[C@H](CNC(=O)NNc2ccc(CC(=O)O)cc2)O1	1594346019	KRHSGBQQEVUIKO-BXUZGUMPSA-N	321.377	1.897	50	20	DDGD	
O=C(COc1ccc(F)c(F)c1)NNc1ncccc1C(=O)O	1594702680	YFCWJWLOVNGUNI-UHFFFAOYSA-N	323.255	1.580	50	20	DDGD	
O=C(CCl)N1CCCN(c2ccccc2-c2nn[nH]n2)CC1	1592859629	VGKVNYGKFANQBA-UHFFFAOYSA-N	320.784	1.144	50	20	DDGD	
C[C@@]1(CNc2ncncc2-c2nn[nH]n2)C[C@@H]1Br	1590135021	GRXQDBJJJPFPNY-XVKPBYJWSA-N	310.159	1.242	50	20	DDGD	
CC(C)(C)OC(=O)N(CCO)N=Cc1ccc(C(=O)O)c(O)c1	1776110555	HREAXFIMAVCZGD-UHFFFAOYSA-N	324.333	1.654	50	20	DDGD	
Cn1cc(C(=O)O)cc1C=NNC(=O)Cn1ccc2ccccc21	1776043007	VTXJMSVRTWFNJW-UHFFFAOYSA-N	324.340	1.828	50	20	DDGD	
CCc1cc(C(=O)O)c(C=NNC(=O)[C@H]2CCO[C@H]2C)s1	1776082211	CWOAPBMSHIFFSS-WPRPVWTQSA-N	310.375	1.884	50	20	DDGD	
CC(C)(C)OC(=O)N(CCO)N=Cc1ccc(/C=C\C(=O)O)o1	1776110794	UEIFAMPGWFMGPT-YODDSTMQSA-N	324.333	1.941	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)c2ccoc2)cc1OC	16201394	HMBKHAMTNFRDHS-UHFFFAOYSA-N	304.302	1.762	50	20	DDGD	
COc1cccc(NNC(=O)Nc2cccc(N(C)C)n2)n1	152798177	BZNIGDURHRILII-UHFFFAOYSA-N	302.338	1.700	50	20	DDGD	
N#Cc1ccc(CCC(=O)NNc2ncccc2[N+](=O)[O-])cc1	153372620	JRMYPBYIHHIIAV-UHFFFAOYSA-N	311.301	1.937	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@H]2CCN(C3CC3)C2)nc1	157501120	IRKIDYNEZMURLQ-LLVKDONJSA-N	305.382	1.201	50	20	DDGD	
CCCC1(CNC(=O)NNC(=O)Cc2ccncc2)CCC1	155338851	MJQGGYIZEMKWMS-UHFFFAOYSA-N	304.394	1.925	50	20	DDGD	
CCCCN1CCCC[C@H]1CNC(=O)NNC(=O)c1ccc[nH]1	108931096	NZCLVHZHZVRPLL-ZDUSSCGKSA-N	321.425	1.613	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc(C#N)cc1	8194342	OKFJTAXOCBRUJP-UHFFFAOYSA-N	306.391	1.046	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc(C)ccc1C	8194350	ROXNYIDQJINRSX-UHFFFAOYSA-N	309.435	1.791	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNc1ccc(Cl)nn1	118498121	BCCDCXMVFHSASE-SECBINFHSA-N	311.773	1.364	50	20	DDGD	
Cn1c(NNC(=O)CC2(O)CCCC2)nc2ccccc2c1=O	174838393	FWCAZXPPGOYNKI-UHFFFAOYSA-N	316.361	1.072	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@H](C)N(C)C2CC2)s1	105270227	UAZHLZOENNVRAU-VIFPVBQESA-N	310.423	1.483	50	20	DDGD	
CCC[C@@H](C)C(=O)NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1	112911857	DDZOAOGCQWHRHW-SECBINFHSA-N	320.397	1.754	50	20	DDGD	
CCn1c(NNC(=O)C2=CCCCO2)nc2ccccc2c1=O	174530118	UJKQBHGSDIKDAF-UHFFFAOYSA-N	314.345	1.554	50	20	DDGD	
O=C(CNC(=O)c1cccc(Cl)c1)NNc1cccnn1	172368784	GPFVADDKLZMYRR-UHFFFAOYSA-N	305.725	1.003	50	20	DDGD	
CN(NC(=O)c1cc(Cl)ccc1Br)C(N)=O	179695809	PVGHTUVWXZQNKP-UHFFFAOYSA-N	306.547	1.758	50	20	DDGD	
CCOc1cccc(C(=O)NNC(=O)NCc2ccco2)c1	65148676	SSUJFAMZMKQDTI-UHFFFAOYSA-N	303.318	1.823	50	20	DDGD	
OC1(C(F)F)CCN(CCI)CC1	306157078	CUPFXMNZKZHPHN-UHFFFAOYSA-N	305.106	1.513	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)c1ccc2c(c1)COC2	64379650	DETUAFJLZSXDDI-UHFFFAOYSA-N	300.289	1.931	50	20	DDGD	
C[C@H](C(=O)NNc1ccccc1Br)n1cncn1	178905203	WIPCWFNONUQIDX-MRVPVSSYSA-N	310.155	1.745	50	20	DDGD	
COc1ccc(Br)c(C(=O)NNC(=O)C(C)C)c1	21050473	ICVVEJAEAXBITG-UHFFFAOYSA-N	315.167	1.875	50	20	DDGD	
CC1(C)[C@H]2CN(C(=O)NNC(=O)COCc3ccccc3)C[C@@H]21	173229607	FTWXTWHGGUBUJE-KBPBESRZSA-N	317.389	1.532	50	20	DDGD	
CCOCCN(CC)C(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	171607563	QMSQBCCMMZWEOD-OQLLNIDSSA-N	314.389	1.997	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1cc(C2CC2)on1	65200745	QWWDONIAUHVLIT-UHFFFAOYSA-N	320.374	1.800	50	20	DDGD	
CCN(CC)CC[C@H](C)NC(=O)NNC(=O)c1cccc(C)n1	1346153999	NVEUCSHFSILCLY-ZDUSSCGKSA-N	321.425	1.454	50	20	DDGD	
Cc1ccnn1-c1ccc(C(=O)NNC(=O)NCC2CC2)cc1	65193214	NIFWFRLCLHTZLC-UHFFFAOYSA-N	313.361	1.535	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C[C@@H](C)c1cccc(F)c1	116194989	DEJXZHWJQAJTAC-SECBINFHSA-N	304.325	1.812	50	20	DDGD	
O=C(NNC(=O)c1ccc(Br)nc1)c1cccnc1	173999001	VTNWQPNDXUDSBN-UHFFFAOYSA-N	321.134	1.314	50	20	DDGD	
COc1cc(C(=O)OC[C@]2(C)C[C@@H]2Br)ncn1	1348960412	BFOQBVXMDMQGEE-KWQFWETISA-N	301.140	1.816	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(F)c(F)c(F)c2)n1	174490329	DAKZJSRCOAUIMC-UHFFFAOYSA-N	312.251	1.968	50	20	DDGD	
CCC[C@H](C)N1C[C@@H](C(=O)NNc2ncc(F)cn2)CC1=O	122607596	WZZFVAMSQQWBCI-UWVGGRQHSA-N	309.345	1.096	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2F)nc1	175830177	KSBBZTQIRLHELU-UHFFFAOYSA-N	318.695	1.821	50	20	DDGD	
COCCCNC(=O)NNC(=O)C1(Cc2ccccc2F)CC1	188384001	ZJVBATUMFCSVPO-UHFFFAOYSA-N	323.368	1.515	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)nn1	123534704	GTJGFXPMZCZJSB-FMKPAKJESA-N	309.373	1.997	50	20	DDGD	
CNC(=O)NNC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1	126692018	OXJOSPVNUHDGQW-UWVGGRQHSA-N	312.167	1.513	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1ccc2c(c1)COC2	183466417	QXVSOAMACVFOOJ-UHFFFAOYSA-N	312.329	1.507	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Nc2cnc(C3CC3)nc2)cc1	184926440	FWIJDKGWVVELTP-UHFFFAOYSA-N	322.328	1.692	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cccc2ccc(C)nc12	185069740	MTBNLTDPTQUMDV-UHFFFAOYSA-N	302.334	1.732	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1c(F)cccc1F	182758363	JQPUMLLOJOBGAD-UHFFFAOYSA-N	306.272	1.755	50	20	DDGD	
CC(C)COc1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1	32262109	ACOQXTCLFTUZHG-AWEZNQCLSA-N	306.362	1.661	50	20	DDGD	
O=C(NNc1cccc(F)c1)C(=O)Nc1cnn(CC2CC2)c1	187468387	WZFOEERHYSBVJL-UHFFFAOYSA-N	317.324	1.514	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)CNC(=O)c2ccco2)CC1	188463238	QLFSLJWJELOYEV-TXEJJXNPSA-N	321.377	1.373	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)Cc2cccs2)nc1C	182725866	QXUHSLIUXJKCLW-UHFFFAOYSA-N	320.374	1.709	50	20	DDGD	
CCOCC(=O)N/N=c1/nc(-c2ccccn2)[nH]c(C)c1C	127076364	AIEXKXLUQCYCTK-UHFFFAOYSA-N	301.350	1.057	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccccc2F)CC1)c1ccc[nH]1	188228731	ODHZDQFWKNLYSG-UHFFFAOYSA-N	301.321	1.938	50	20	DDGD	
CCCc1noc(CCCC(=O)NNc2cccc(OC)n2)n1	180706631	BHSVHHDPEPGDBA-UHFFFAOYSA-N	319.365	1.892	50	20	DDGD	
CN(NC(=O)CSCc1coc(-c2ccccc2)n1)C(N)=O	182670037	BOBZAYZCCYNGCW-UHFFFAOYSA-N	320.374	1.617	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(CC(F)F)C2CC2)cc1	72963807	UAWXOQSWAQABEX-UHFFFAOYSA-N	311.332	1.486	50	20	DDGD	
CO[C@@]1(C)C[C@@H](NC(=O)NNC(=O)c2ccccc2F)C1(C)C	74943764	HAEMGXJYPLXHDF-WBMJQRKESA-N	323.368	1.973	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cnn(CC(F)F)c1	133129807	LXBKHQYPUKMRLH-UHFFFAOYSA-N	313.268	1.095	50	20	DDGD	
C[C@@H]1CCC[C@@H](C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)C1	131484667	URZIWHLGNKNFRA-JHJVBQTASA-N	302.440	1.305	50	20	DDGD	
O=C(NNC(=O)C(=O)N1CCCC1)Nc1ccccc1Cl	133800010	CEDNYSCUTDMLTK-UHFFFAOYSA-N	310.741	1.115	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H](C)OCc1ccccc1)C1CC1	83676245	AQPUZOANZVYLRY-NWDGAFQWSA-N	321.446	1.886	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Cc1cc(F)c(F)cc1F	133130936	SXDHMWSJEUBEDU-UHFFFAOYSA-N	311.263	1.446	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cncc(Cl)n2)n1	192368208	WNTVXYATFQEUGI-UHFFFAOYSA-N	321.772	1.523	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1n[nH]c(=O)c2ccccc12	85684919	XDSTWGJVESRDNL-UHFFFAOYSA-N	315.720	1.728	50	20	DDGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)C1=COCCO1	134287746	AEZIXJBXNNORFA-UHFFFAOYSA-N	304.224	1.917	50	20	DDGD	
CCOC(=O)C[C@H](C)CNC(=O)NNc1cccc(C#N)c1	89933746	UHYRSNYNRXTTTF-NSHDSACASA-N	304.350	1.774	50	20	DDGD	
COCCNC(=O)NNc1ccc(F)cc1Br	42842492	PVHZZFZOLFOJHB-UHFFFAOYSA-N	306.135	1.861	50	20	DDGD	
CC(=O)NNC(=O)Cc1csc(COc2ccc(C)cc2)n1	46643231	WZUSAGMQZLEBTL-UHFFFAOYSA-N	319.386	1.740	50	20	DDGD	
CCOC(=O)NCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	42466991	BAAJCCCZDAXDEL-UHFFFAOYSA-N	323.393	1.096	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2COc3ccc(F)cc3C2)o1	90426310	FJYKUFNTPUAZIB-LLVKDONJSA-N	318.304	1.739	50	20	DDGD	
C=CCN1C(=O)C(=NNC(=O)c2cc(C)n[nH]2)c2ccccc21	252630185	UWPXHRDYSKPQQT-UHFFFAOYSA-N	309.329	1.385	50	20	DDGD	
Cn1cc(CC(=O)NNC(=O)C(C)(C)c2ccccc2)cn1	264648890	QCPOGAAYUAQHOS-UHFFFAOYSA-N	300.362	1.088	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1cccc([N+](=O)[O-])c1C)C(C)C	269590418	FYKXLVGEXQYQBS-LBPRGKRZSA-N	324.337	1.727	50	20	DDGD	
CSC1(CNC(=O)NNc2ccc(C)nn2)CCOCC1	266726756	CBZLIUKEENBFPM-UHFFFAOYSA-N	311.411	1.323	50	20	DDGD	
O=C(CN1CCCCC1=O)NNc1ncnc2ccsc12	269010678	SKQVQDGMJUROGY-UHFFFAOYSA-N	305.363	1.147	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)C1CCC1)N(C)Cc1ccccc1	264825656	IFFLBCGDOJWONY-CYBMUJFWSA-N	318.421	1.637	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNC(=O)c1cccc2ncccc12	268233931	VDTXATBKPLVHRR-JTQLQIEISA-N	315.329	1.195	50	20	DDGD	
CO[C@@H](C)CCNC(=O)NNC(=O)COc1cccc(C)c1	263687250	BIJHYIIBCFEXTF-LBPRGKRZSA-N	309.366	1.129	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1O)N(C)C	269194236	MSRMVQXRMRNEHO-LBPRGKRZSA-N	313.785	1.393	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1cccc(C(=O)OC)c1)C(C)C	272880478	YTQYZYMZMWBQCW-LBPRGKRZSA-N	323.349	1.297	50	20	DDGD	
O=S(=O)(CCCCCl)NCCc1cn2c(n1)SCC2	275870058	ZSVFIOUGKBKPFU-UHFFFAOYSA-N	323.871	1.470	50	20	DDGD	
COc1cccc(NNC(=O)NCC[C@H]2CCO[C@@H](C)C2)n1	273125730	SDXIRYQCPNDTCK-RYUDHWBXSA-N	308.382	1.922	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@H]2CCCCS2)nc1C	272960250	PVTXSDQDWZNCAQ-LLVKDONJSA-N	324.406	1.691	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(C(=O)OC)c(C)cc1C	276496359	QTVQVRALSMJOFP-UHFFFAOYSA-N	322.365	1.788	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H]2C[C@@]23CCOC3)n1	363801695	LIGFGOBHMOUQBQ-XHDPSFHLSA-N	305.382	1.193	50	20	DDGD	
N#CC1=CCN(C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)CC1	270974556	UKZQYWKMJIFCKY-UHFFFAOYSA-N	322.368	1.847	50	20	DDGD	
CCCOc1cccc(C(=O)NNC(=O)N2CCN(C)CC2)c1	278641652	OACDVXWJLBORHK-UHFFFAOYSA-N	320.393	1.077	50	20	DDGD	
C[C@H]1CCc2c(sc3nc(CCC(=O)NN)nc(O)c23)C1	270217220	KZQIRTPOEOSMGH-ZETCQYMHSA-N	306.391	1.444	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C2CCC2)nnn1CC1CCCC1	278984159	HZWAGMHZRBALDP-UHFFFAOYSA-N	305.382	1.338	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	377958709	YLOCGKWJUHWNIZ-SLEUVZQESA-N	306.337	1.331	50	20	DDGD	
CN(CCC(N)=O)S(=O)(=O)c1ccc(CCCCl)cc1	285390994	OBNAPFFGDLZXPC-UHFFFAOYSA-N	318.826	1.354	50	20	DDGD	
C[C@@H]1OCC[C@@]12CN(CCI)CCO2	375916604	BOGOEQBFJGXDQE-VHSXEESVSA-N	311.163	1.301	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)C(F)(F)C1(O)CCCC1	286551716	RNKKTPUESGDQEG-UHFFFAOYSA-N	311.292	1.113	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)Nc1ccc(C2CCC2)cc1	280412402	ZGLAJQKTXLBOER-UHFFFAOYSA-N	315.373	1.840	50	20	DDGD	
CCCN(NC(=O)[C@@H](O)c1cccnc1)C(=O)OC(C)(C)C	286092957	CKQVSWNDWRXREC-LBPRGKRZSA-N	309.366	1.793	50	20	DDGD	
CO[C@H]1CCN(C(=O)NNC(=O)c2ccc(C#N)cc2)[C@H](C)C1	281965972	VLAUWLZLYDFUHB-RISCZKNCSA-N	316.361	1.412	50	20	DDGD	
COCCn1nc(C)c(NC(=O)NNc2cccc(F)n2)c1C	287147520	QBDILHOSRUDFJE-UHFFFAOYSA-N	322.344	1.829	50	20	DDGD	
Cc1coc(C)c1C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1	289038990	JXXHZDTVANCASR-RYUDHWBXSA-N	323.393	1.157	50	20	DDGD	
CC(C)Oc1cccc(CC(=O)NNC(=O)[C@@H]2CCCCO2)c1	295613390	QXHPVBPBVQRCEQ-HNNXBMFYSA-N	320.389	1.733	50	20	DDGD	
COCCOCc1cc(C(=O)NN(C)CCOC)ccc1F	293509407	BZQUGBWXGQIMQD-UHFFFAOYSA-N	314.357	1.212	50	20	DDGD	
COc1ccc(OC)c([C@H]2C[C@H]2C(=O)NNC(=O)CC2CC2)c1	294042858	FDXPWGSXSQEGRC-TZMCWYRMSA-N	318.373	1.755	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2CCC[C@@H]2C(C)C)n1	299210889	CQVDCXAZRVNMJO-GFCCVEGCSA-N	324.450	1.262	50	20	DDGD	
O=C(NCC(=O)N1CCCCC1)NNc1cccc(Cl)n1	292584731	AODIHUJEJSTRJO-UHFFFAOYSA-N	311.773	1.374	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NC[C@@H]1C[C@@H]1C	298775855	ZFSCFIXZCRAWHR-DCAQKATOSA-N	309.341	1.579	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@@H]2NCC[C@@H]2C1	293272890	GPDCLOGMQYKHLX-OLZOCXBDSA-N	310.829	1.563	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1cn(C)nc1C(F)F	291326938	FCHKXQYBWITYIU-YFHOEESVSA-N	312.320	1.807	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CC[C@H](C)SC	807369075	QEAHKMUYYFHFRV-JTQLQIEISA-N	306.428	1.455	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(C)nc1Br	293706522	UGKXBPHSFFDZTO-UHFFFAOYSA-N	302.172	1.376	50	20	DDGD	
COc1ccc([C@@H](C)NC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	296332930	LUDZRRVWGBKEOA-RISCZKNCSA-N	321.377	1.656	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1ccc(OCc2ccccc2)nc1	816632870	CISGIHPQRTXITH-UHFFFAOYSA-N	310.317	1.536	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@H]1CCc2cccnc21	819864588	DBICSUOOGFRTEO-HNNXBMFYSA-N	309.369	1.892	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C1CC(C(=O)O)C1	814723795	VRVWELYOQGDDID-UHFFFAOYSA-N	306.318	1.431	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2cnccn2)cc1Cl	818347936	XDLXDQSQCNNBDA-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
O=C(NCc1ccc(C(=O)O)cc1)NNc1ccc(Cl)nn1	819194685	HFFZFUIKEXSXMB-UHFFFAOYSA-N	321.724	1.655	50	20	DDGD	
CC(C)OCCONC(=O)NNC(=O)c1c[nH]c2ccccc12	812950765	GZMGKBQGUQBFIW-UHFFFAOYSA-N	320.349	1.469	50	20	DDGD	
CC(=NNC(=O)c1cc(C)nc2ccccc12)c1cnnn1C	814714136	SPRSVWUTNGJEAR-UHFFFAOYSA-N	308.345	1.826	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccccc1S(C)(=O)=O)n1cccn1	819393313	DHTGDHGBKXLEHQ-NSHDSACASA-N	322.390	1.381	50	20	DDGD	
Cc1nc2cc(F)cc(C(=O)NNc3cnnn3C)c2nc1C	816771390	KOIIHQGBOCLBIY-UHFFFAOYSA-N	315.312	1.271	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](CO)CN(C)C)cc1	819825778	XDSZGXNDVFXDGH-KQGZCTBQSA-N	317.389	1.031	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1	823939150	GNLCOYIJIACCSN-CPCISQLKSA-N	307.177	1.371	50	20	DDGD	
C[C@H](C(=O)NN(C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C	497309817	BILKGGHQRDYBAI-SECBINFHSA-N	302.371	1.862	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C/c1ccc(-c2nn[nH]n2)s1	820092382	KJKLBFLIEBOFKA-WEVVVXLNSA-N	302.363	1.607	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1ccc(N(C)C)c(F)c1	727654367	LUSMXYDHEMBRLW-UKTHLTGXSA-N	305.353	1.951	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNC(=O)CC(C)(C)C	496472879	AKENEZMVQDEIPF-ONGXEEELSA-N	301.387	1.341	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)Cc1csc(-c2ccccn2)n1	823982718	CQZAGDIVZFFQIP-JTQLQIEISA-N	306.391	1.091	50	20	DDGD	
CCN(CCO)NC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C1CC1	823889451	XBKMRULRUDUDLT-NSHDSACASA-N	315.414	1.120	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(F)cc1Br	823987990	OAHPSYRUGUTWPH-ZETCQYMHSA-N	305.147	1.546	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(c2ccnc(F)c2)CC1	491080300	CUVGXBFUTPGRIU-VAWYXSNFSA-N	304.325	1.313	50	20	DDGD	
CN1CCC(CCNC(=O)/C(C#N)=C/c2cnn(C)c2)CC1	491100439	ATYBORAYKOTBOF-OQLLNIDSSA-N	301.394	1.175	50	20	DDGD	
COC(=O)c1ccc(CC(=O)NNC(=O)CC(F)(F)F)cc1	825505483	JHXIBJFMGPCPPV-UHFFFAOYSA-N	318.251	1.116	50	20	DDGD	
C[C@H](Sc1ccccc1Cl)C(=O)N1CC[C@H](B(O)O)C1	585068973	JWZDROLVBVHRQV-UWVGGRQHSA-N	313.615	1.896	50	20	DDGD	
C/C=C\C(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1	825028547	IZKSQNCTTXCWPB-IHWYPQMZSA-N	312.255	1.905	50	20	DDGD	
CCN(CCS(C)(=O)=O)C(=O)[C@@]1(C)C[C@@H]1Br	907114785	GDVOZOVBBSUTSW-WPRPVWTQSA-N	312.229	1.053	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cc2ncccc2o1)C1CC1	824446123	GSPXXBGDQQLLES-QMMMGPOBSA-N	304.375	1.735	50	20	DDGD	
CC(=NNC(=O)CCNC(=O)OC(C)(C)C)c1ccc(N)nc1	495719885	KELZHOVESPEBLM-UHFFFAOYSA-N	321.381	1.419	50	20	DDGD	
CSC[C@H](C)C(=O)NNc1ccccc1S(C)(=O)=O	732303509	AMTNDPSQECDJSW-VIFPVBQESA-N	302.421	1.532	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)CC(N)=O)cc1	491177095	UHJHJQSPXKIXAA-VSXLWIIGSA-N	301.346	1.372	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2CCC[C@@H]2Oc2ccccc2)c1	585024267	WAASZTPKYCAYIU-MSOLQXFVSA-N	311.190	1.456	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN2C(=O)N(CC(C)C)C[C@H]2C1	491100317	APAGFOSWLJDJAJ-YBEMTRGBSA-N	320.393	1.035	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2cccc(Cl)c2Cl)CCN1	838350360	VHFKAUCCFJJURF-ZETCQYMHSA-N	302.161	1.963	50	20	DDGD	
CCOC(=O)NNC(=O)c1nn(-c2ccc(F)cc2)cc1C	496664553	VGHWKLLCKMNJHK-UHFFFAOYSA-N	306.297	1.711	50	20	DDGD	
CCn1cccc1C=NNC(=O)CCNC(=O)OC(C)(C)C	834970662	ONWXYGAYCMCOFU-UHFFFAOYSA-N	308.382	1.873	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2c(C)cnn2C)cc1	839572777	VTBLASKSAGZVJA-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
Cn1cc(CCC=NNC(=O)c2ccc3c(c2)OCO3)cn1	834918807	CAAUJZDJXGKVNV-UHFFFAOYSA-N	300.318	1.497	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)N[C@H]1CCc2cc(F)ccc21	836252506	NOECMDVPHYZLHK-UONOGXRCSA-N	321.352	1.713	50	20	DDGD	
Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2cccc(B(O)O)c2)s1	584912730	VDROMIHLCWHHIR-CHWSQXEVSA-N	301.176	1.479	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2nc(-c3cccnc3)no2)nc1	730833264	IWIURQHOSPQOJL-UHFFFAOYSA-N	307.273	1.155	50	20	DDGD	
CCn1cc(C=NNC(=O)CNc2ccccc2OC)c(C)n1	901131166	WZCYAXHNWFAAGY-UHFFFAOYSA-N	315.377	1.782	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2CCN3CCCC[C@H]23)C[C@H]1Br	906198932	LOLQTRKKKYZEDT-UZWSLXQKSA-N	301.228	1.903	50	20	DDGD	
CN(C)c1ccc(CNC(=O)[C@@]2(C)C[C@@H]2Br)cn1	906074409	VNSSVLBTRUFCLM-GWCFXTLKSA-N	312.211	1.937	50	20	DDGD	
O=C(NNC(=O)c1cc(F)cc([N+](=O)[O-])c1)NC1CCCC1	731473598	XHWWHHNGEONLOM-UHFFFAOYSA-N	310.285	1.621	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cccc(OCC#N)c1	831291223	LANAFJKXHHSMNO-GXFFZTMASA-N	318.333	1.167	50	20	DDGD	
COC[C@H](N)C(=O)NNc1c(F)cc(F)cc1Br	831970769	MBNSKLIIZQANPQ-QMMMGPOBSA-N	324.125	1.144	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1ccc(O)c(Br)c1	735411712	QVODQYABYOVBAK-UHFFFAOYSA-N	323.150	1.950	50	20	DDGD	
C[C@H](CNCc1ccc(B(O)O)cc1)COCc1ccccc1	585018897	WDUFEOFSLYSBNQ-OAHLLOKOSA-N	313.206	1.309	50	20	DDGD	
OB(O)[C@@H]1CCN(c2ccnc3cc(Br)cnc23)C1	585079396	ZYCLQNNGJYZRRO-MRVPVSSYSA-N	321.971	1.445	50	20	DDGD	
CN(CCCC(=O)NNC(=O)C(C)(C)c1ccccc1)C(=O)O	737427414	RWBVSASBRPBQHC-UHFFFAOYSA-N	321.377	1.502	50	20	DDGD	
COc1ccc(OCCN(C)C(=O)NNC(=O)C(C)(C)C)cc1	731499639	ZCXKQFUHADBTHJ-UHFFFAOYSA-N	323.393	1.793	50	20	DDGD	
CC(C)[C@@]1(C)C[C@H]1NC(=O)NNC(=O)COc1ccccc1O	838763073	HMWWANXZHORQJD-CZUORRHYSA-N	321.377	1.536	50	20	DDGD	
CCOC(=O)[C@@H](CC(=O)NNc1ccc(C#N)cc1)C(C)=O	830776791	WVRSJJSXLZRUSG-ZDUSSCGKSA-N	303.318	1.160	50	20	DDGD	
Cc1cccnc1[C@H](NC(=O)c1ccc(B(O)O)cc1)C(C)C	584947337	LYKJXULCJDEYOA-OAHLLOKOSA-N	312.178	1.197	50	20	DDGD	
CCN(CC)Cc1cccc(NCc2ccc(B(O)O)o2)c1	585011859	FQSKEUCZZOWXOT-UHFFFAOYSA-N	302.183	1.413	50	20	DDGD	
COCCN(C)NC(=O)c1cnn(-c2ccc(C)cc2)c1C	837622387	SOJFNJDTPJSMLW-UHFFFAOYSA-N	302.378	1.712	50	20	DDGD	
CC1(C)OCC(NC(=O)NNc2ncc(F)cc2F)CO1	838550547	KXDWNZQHUHRULK-UHFFFAOYSA-N	302.281	1.137	50	20	DDGD	
CN(C)CC(=O)NN=Cc1cnc(CCc2ccccc2)s1	834954217	KWPUXKGQWMPEJH-UHFFFAOYSA-N	316.430	1.940	50	20	DDGD	
CC1CCN([C@H](C)CNC(=O)NNC(=O)CC(F)(F)F)CC1	743333872	BUXILMYHVYVCGC-SNVBAGLBSA-N	324.347	1.390	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2[C@H]3CCCO[C@@H]3C2(C)C)n1	743430055	DVTQQCUKFNEXEG-DOMZBBRYSA-N	304.394	1.807	50	20	DDGD	
N#Cc1ccc(NNC(=O)Cc2cnn(-c3ccccc3)n2)cc1	748126448	QVGVTSHJSYGXGM-UHFFFAOYSA-N	318.340	1.825	50	20	DDGD	
CC(C)C(=O)NN=Cc1c[nH]nc1-c1ccc2c(c1)OCO2	917542290	SGNPMDVLRPNXJB-UHFFFAOYSA-N	300.318	1.912	50	20	DDGD	
CC(C)C[C@H](CN)NC(=O)NNC(=O)c1c[nH]c2ccccc12	841954954	XMWRCVKXQPTMRS-LLVKDONJSA-N	317.393	1.485	50	20	DDGD	
Cc1ccccc1[C@H](C)CC(=O)NNC(=O)CN1CCCC1=O	913730920	NJAALLFGOUIHSZ-CYBMUJFWSA-N	317.389	1.258	50	20	DDGD	
N[C@H]1CCC[C@H](NC(=O)NNc2cc(F)c(F)c(F)c2)C1	841983511	SZYHTFSESNYVOV-YUMQZZPRSA-N	302.300	2.000	50	20	DDGD	
CCN1C[C@@H](CNC(=O)NNc2cccc(F)c2F)CC1=O	845492752	HOFVHPWVVSOPDS-SECBINFHSA-N	312.320	1.459	50	20	DDGD	
CCc1c(C(=O)NNC(=S)Nc2cccc(C)c2)cnn1C	918687556	SQLXZBZVNWSQLJ-UHFFFAOYSA-N	317.418	1.922	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc([N+](=O)[O-])cc1)[C@@H](C)S(C)(=O)=O	841407908	DNSHREFIBCZNFD-RKDXNWHRSA-N	315.351	1.107	50	20	DDGD	
Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NN)cc2)c1C	917371807	UWRSLBCDQNXRCT-UHFFFAOYSA-N	319.386	1.708	50	20	DDGD	
CCS(=O)(=O)CCCNC(=O)NNc1cccc(F)c1F	840475393	XKJDCBJJOXWZBZ-UHFFFAOYSA-N	321.349	1.416	50	20	DDGD	
CCN[C@H](C)CNC(=O)NNc1ccc2c(=O)[nH]ccc2c1	841987297	WYHGPARDZVXPDV-SNVBAGLBSA-N	303.366	1.152	50	20	DDGD	
N[C@H]1CCC[C@@H](NC(=O)NNC(=O)Cc2ccc(Cl)cc2)C1	841981790	IXHRZZCXDUMIEN-QWHCGFSZSA-N	324.812	1.483	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccc(-c3cnco3)cc2)n1	740104740	QZDDPQNIAMHMFE-UHFFFAOYSA-N	324.344	1.955	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCCCNC1CC1)c1ccccc1	841918809	CDLFYEHCHILBBZ-OAHLLOKOSA-N	318.421	1.653	50	20	DDGD	
COc1ccc2nc(C)c(C(=O)NN(C)C[C@H](C)O)cc2c1	910180017	QASHBBIASGCACA-JTQLQIEISA-N	303.362	1.509	50	20	DDGD	
Cc1cccc(-n2ncc(C(=O)NN(C)C[C@H](C)O)c2C)c1	910172639	DQIGQUNGVNMGKD-LBPRGKRZSA-N	302.378	1.447	50	20	DDGD	
NS(=O)(=O)CCCCCC(=O)NNc1c(F)cccc1F	845854468	BZQQWKLKQZQUNZ-UHFFFAOYSA-N	321.349	1.257	50	20	DDGD	
CCCCNC(=O)NNC(=O)C[C@H](C)N1CCc2ccccc21	847391945	IZYWMEDXSKBWQQ-ZDUSSCGKSA-N	318.421	1.958	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCCOc1ccccc1F	843646370	PSNWYYDOWJDUIB-VXGBXAGGSA-N	324.352	1.557	50	20	DDGD	
CCC[C@@](C)(O)C(=O)Nc1cccc(NC(=O)NN(C)C)c1	843870593	KHTSXMORNJIFMT-OAHLLOKOSA-N	308.382	1.774	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cnc2c(c1)C[C@H](N)CC2	841322129	OCBLSMVTWYVOGT-MWLCHTKSSA-N	305.382	1.096	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc(Cl)ncc1F	929427767	LTCBYXYJLAWUMJ-UHFFFAOYSA-N	304.778	1.782	50	20	DDGD	
CCC(N)(CC)CNC(=O)NNc1ncnc2ccsc12	841952717	WXCQVJKJWBKHIP-UHFFFAOYSA-N	308.411	1.835	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2C[C@H]2C2CCC2)cc1	846627567	CFAUEAOGFMSXKS-LSDHHAIUSA-N	301.390	1.991	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H](C)c2cnn(C)c2)cc1	743632921	KEURQBAZPQRLAW-NSHDSACASA-N	315.377	1.688	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=C(C)c1ccn(C)n1	841606218	BOCVVYANYFLHLZ-UHFFFAOYSA-N	300.362	1.902	50	20	DDGD	
CN(C)C(=O)c1ccccc1C=NNC(=O)NC1CCCC1	841621760	MMXXHRWIJPDIBH-UHFFFAOYSA-N	302.378	1.964	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1nc(C(F)(F)F)cs1	920933412	XGKLHEFRTOBEGN-UHFFFAOYSA-N	319.268	1.957	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccnc(Cl)c1Cl	923047170	DKUCKSKFLCMTRZ-UHFFFAOYSA-N	318.160	1.576	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@H](O)c1ccc(Cl)cc1	855000416	IBGYYLVONMOGBI-SECBINFHSA-N	310.659	1.473	50	20	DDGD	
C[C@@H]1Cc2ccccc2C1=NNC(=O)[C@H]1CCS(=O)(=O)C1	751134675	NZFFPMRPVWQNJX-PWSUYJOCSA-N	306.387	1.134	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cnn(C[C@@H]2CCCO2)c1	756738320	FLYHMVOLPIMXER-LBPRGKRZSA-N	309.370	1.261	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2CC2)c(Br)c1	750716372	NIKYJXPOFATFPH-UHFFFAOYSA-N	313.151	1.629	50	20	DDGD	
O=C1C[C@@H](C(=O)NNC(=S)NCC2CCC2)c2ccccc21	855089150	DUTDYANLFPEPHW-CYBMUJFWSA-N	317.414	1.652	50	20	DDGD	
COc1ccc2c(c1)CC[C@H](NC(=O)NNC(=O)CC(C)C)C2	753291767	OVSALMZYIWNLEV-AWEZNQCLSA-N	319.405	1.929	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(C)nn1Cc1ccccc1	755634229	FXAKJLPXQZUSRX-UHFFFAOYSA-N	301.350	1.803	50	20	DDGD	
CCCc1nc(C(=O)NN(C)C(=S)NCCCOC)co1	854283914	PGESAYAUCSEQJH-UHFFFAOYSA-N	314.411	1.115	50	20	DDGD	
C[C@H]1CO[C@H](C)CN1C(=O)NC[C@]1(C)C[C@H]1Br	856951959	AEEWLRYXLLQJQW-XNDJQWLSSA-N	305.216	1.979	50	20	DDGD	
CCn1cc(C(=O)NNc2oc(C(C)C)nc2C#N)c(C)n1	858910238	RMTLNBYNDKXVGN-UHFFFAOYSA-N	302.338	1.951	50	20	DDGD	
CO[C@H](C)CNC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	852536686	FFDUVDBGAKZWKG-SFCYXTAJSA-N	323.437	1.958	50	20	DDGD	
Cc1noc(CCCC(=O)NC[C@]2(C)C[C@@H]2Br)n1	857397798	IYSRJYWOEJGWRC-CABZTGNLSA-N	316.199	1.990	50	20	DDGD	
CCc1nc2c(s1)C(=NNC(=O)N1CCOCC1)CCC2	756835969	YXIQSSLZQYJWDK-UHFFFAOYSA-N	308.407	1.788	50	20	DDGD	
C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NNc1cnnn1C	857272915	KZVXASOAAMKKIK-VIFPVBQESA-N	321.768	1.821	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)CSCCC(C)C	854279942	HQCYVRNAIRBSGO-UHFFFAOYSA-N	321.512	1.640	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cccc([N+](=O)[O-])c1Cl	858782345	SSIAOMJDWIXAIQ-UHFFFAOYSA-N	312.713	1.602	50	20	DDGD	
CCC1(CNC(=O)NNc2cccc(C(=O)OC)c2C)COC1	854116302	FLZQLQXPOSLGEY-UHFFFAOYSA-N	321.377	1.834	50	20	DDGD	
CCOCCOCCNC(=O)NNc1ncc(F)cc1F	927536587	LLOXKQSLTYVPGJ-UHFFFAOYSA-N	304.297	1.039	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1	853000910	SHGIEIGXNDELAA-TYZQSYOASA-N	323.393	1.946	50	20	DDGD	
CCCC1(C(=O)NNC(=O)C(=O)Nc2ccccn2)CCC1	759250165	MWIQWBVYLKXIBK-UHFFFAOYSA-N	304.350	1.138	50	20	DDGD	
O=C(NNC(=O)c1scnc1C1CCCC1)c1cc[nH]n1	855356436	LVZWBYPJUJDVFB-UHFFFAOYSA-N	305.363	1.599	50	20	DDGD	
C/C(=C/C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)c1ccco1	854516961	VBCGQFJAOJVEIX-MMRAYRKESA-N	312.391	1.175	50	20	DDGD	
C[S@@](=O)C1(CNC(=O)NNc2c(F)cc(F)cc2F)CC1	922354463	BZKCQZGFYMXPJV-OAQYLSRUSA-N	321.324	1.641	50	20	DDGD	
Cc1nc(C=NNC(=O)[C@H](C)CN2C[C@H](C)O[C@@H](C)C2)[nH]c1C	853280573	HDDSCJVTKCFPIS-WOPDTQHZSA-N	321.425	1.222	50	20	DDGD	
NC(=O)c1ccc(CC(=O)NNc2cnc3ccccc3n2)cc1	754676345	KPODEXVUNNCWDQ-UHFFFAOYSA-N	321.340	1.415	50	20	DDGD	
CC(C)(O)[C@H](Oc1ccccc1)C(=O)NNc1ncccc1F	854415236	DTNAHBHFTWVAKP-CYBMUJFWSA-N	319.336	1.882	50	20	DDGD	
CCC1(C(=O)OCC(=O)NNC(=O)c2ccc(C)cc2)CC1	750483823	YKXZWMLKPMAGBU-UHFFFAOYSA-N	304.346	1.489	50	20	DDGD	
C[C@@H]1CN(C2CC2)CC1=NNC(=O)Nc1ccc(C(=O)O)cc1	755892319	SVBCPIDTDRRWHE-SNVBAGLBSA-N	316.361	1.976	50	20	DDGD	
CCC(CC)[C@H]1C[C@H](NC(=O)NNC(=O)c2cn[nH]c2)CCO1	858350368	GPCQXZLNHISIFF-CHWSQXEVSA-N	323.397	1.338	50	20	DDGD	
COCCOc1cc(C(=O)NNc2ncc(F)cc2F)ccn1	857533458	ZQHLSOPPZZAGJI-UHFFFAOYSA-N	324.287	1.537	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@@H](C)[C@@H]1CN(C)CCO1	853877058	QYSZFOBVTWROCK-FZMZJTMJSA-N	310.373	1.479	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCN2CCCC2=O)c1C	855627056	GGNHAMCVDZHZMB-UHFFFAOYSA-N	319.361	1.237	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)N[C@H]1CCN2CCCC[C@H]12	852059877	OKAMRECZSVTVQR-NWDGAFQWSA-N	309.801	1.988	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C[C@@H](C)c1ccco1	859812625	TZUKCZNSWKYTRW-NEPJUHHUSA-N	324.377	1.898	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(C)n(CC(F)(F)F)c1C	854926527	BIVRIJAGEGKPCC-UHFFFAOYSA-N	322.356	1.748	50	20	DDGD	
CC(C)c1nnnn1CC(=O)NC[C@]1(C)C[C@@H]1Br	857393634	LYGVLTPRWUZRSI-KWQFWETISA-N	316.203	1.086	50	20	DDGD	
OB(O)c1ccc(OCc2cc3c(cc2Cl)OCCO3)cc1	864048409	VZURTRZUIFDOFE-UHFFFAOYSA-N	320.537	1.370	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	864492526	OLKNAAXZZZIDLC-UHFFFAOYSA-N	303.362	1.673	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc(-c3ccco3)s2)cn1	765470018	PTDAHQSUMDXIAX-UHFFFAOYSA-N	316.342	1.816	50	20	DDGD	
CC(=O)N1CCC(C(=O)NNc2nc3ccccc3[nH]2)CC1	768511880	DXVLPPPWADOURE-UHFFFAOYSA-N	301.350	1.265	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@H](F)c2ccccc2)c1O	768979179	ACMQKGJMSJCQDB-CYBMUJFWSA-N	318.304	1.873	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNc1nc(O)c2ccccc2n1	863895819	WPNQECVYUXIKJS-LBPRGKRZSA-N	304.350	1.984	50	20	DDGD	
COc1ccc(CC(=O)NN=c2cc[nH]c(C)c2)cc1OC	862508359	OSURKKNMJBRNSE-UHFFFAOYSA-N	301.346	1.515	50	20	DDGD	
CCCNC(=O)CCC(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	768328508	YLZXKSHKCPHITM-UHFFFAOYSA-N	324.337	1.353	50	20	DDGD	
Cc1cc(F)c(C=NNC(=O)CS(C)(=O)=O)c(Cl)c1	863183980	RAKMWSUFDJRCSV-UHFFFAOYSA-N	306.746	1.282	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1ccn(C(F)F)n1	863097521	NDAWMAYXVSUBAN-UHFFFAOYSA-N	308.157	1.710	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2ccc3nncn3c2)c1	768711137	CUJDUWSDPXNGDH-UHFFFAOYSA-N	313.708	1.406	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C1CC[C@@H](NC(=O)OC(C)(C)C)C1	863093834	CRBXOEZOCFZITD-SNVBAGLBSA-N	321.381	1.881	50	20	DDGD	
CSCCNC(=S)NNC(=O)/C=C/c1ccccc1F	769768632	FMEKNQDGDCMUJO-VOTSOKGWSA-N	313.423	1.697	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNc2ccc(C(F)(F)F)nn2)[C@H]1C	860401477	LIMOWMMPBSEUKC-SDCKUUTBSA-N	318.299	1.998	50	20	DDGD	
C[C@@H](CCc1cccc(F)c1)C(=O)NNC(=O)c1cn[nH]c1	862472985	ZEFZOKGRTNMZGG-JTQLQIEISA-N	304.325	1.579	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2cccc3c2OCCCO3)n[nH]1	764794593	BZAXLKSLBMNSMI-UHFFFAOYSA-N	300.318	1.643	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1cncc(N2CCCC2)n1	868861148	FQMLLOZKECLVLB-UHFFFAOYSA-N	318.768	1.882	50	20	DDGD	
Cc1ncc(C(=O)NN=c2cc[nH]cc2Cl)c(C2CC2)n1	1116901123	YELXBSUYTPXAKE-UHFFFAOYSA-N	303.753	1.890	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)c1C	861796743	HYTVQTBWKLVPSS-UHFFFAOYSA-N	307.350	1.136	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)N[C@@H]1CCC(F)(F)C1	763704954	FUDNEMIQUSOEQA-LLVKDONJSA-N	315.295	1.886	50	20	DDGD	
CCOC(=O)C[C@@H](C)CNC(=O)NNC(=O)CC(C)(C)C	760369575	BPOHNNSALOQBKW-SNVBAGLBSA-N	301.387	1.342	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)COC(=O)C2(C)CC2)cc1C	761433323	ZLPOPNXDAMOYHQ-UHFFFAOYSA-N	324.402	1.723	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)NCCCF	763532898	ZONLHCHHJKIMGZ-UHFFFAOYSA-N	301.343	1.174	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H](c1ccccc1)C(C)(C)CO	875407971	HXHKXODSKOAMBE-ZDUSSCGKSA-N	323.393	1.701	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1cc[nH]n1	772963362	IZWIQNWFRWYZDL-QMMMGPOBSA-N	308.725	1.292	50	20	DDGD	
CCc1ccnc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)c1	772241056	ZVZJPXBITIDDQS-NSHDSACASA-N	321.377	1.383	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)CN2CCCC2)c1C	873798993	SIAJWQPVYFGZHX-AWEZNQCLSA-N	319.405	1.314	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc2cc[nH]c12	773495944	HMAQXCPBYKIHPH-VIFPVBQESA-N	302.334	1.300	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)CCCCO)c1C	771502392	PRUSTRSWHWMCOW-ZDUSSCGKSA-N	308.378	1.381	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1	776285237	JZPZZWVBCZSOQD-UHIISALHSA-N	304.346	1.410	50	20	DDGD	
C[C@@H]1COCCCN1C(=O)NNC(=O)CCCc1ccccc1	773004928	KDMQDRDYJVXHGU-CQSZACIVSA-N	319.405	1.861	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cccc3ccccc23)nn1C	773132719	UGBXWUMSCFCTDJ-UHFFFAOYSA-N	324.340	1.657	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](O)[C@H](C)c1ccccc1F	887153169	KHJQRGKZPBPSPA-ABAIWWIYSA-N	306.337	1.241	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C[C@H]1CCO[C@@H](C(C)C)C1	781972066	OVWBGEDUOQXIEE-WCQYABFASA-N	308.382	1.320	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](C)OC[C@@H]2CCCO2)c1	780796957	OVXVXOCYKXRYER-RISCZKNCSA-N	322.361	1.500	50	20	DDGD	
Cc1cc(C(F)(F)F)ccc1C=NNC(=O)C(=O)NC(C)C	785451837	XROHWZLXEJROLY-UHFFFAOYSA-N	315.295	1.989	50	20	DDGD	
CC(=NNC(=O)[C@H]1COc2ccccc2O1)c1cc(C)nn1C	788955048	OZYWEPIYQZLETE-OAHLLOKOSA-N	314.345	1.409	50	20	DDGD	
CCc1ccc(CN(C)C(=O)NNC(=O)c2cccnn2)cc1	883848848	LXVUHROYVQRBQH-UHFFFAOYSA-N	313.361	1.525	50	20	DDGD	
CN(C)[C@H]1CCC[C@@H](NC(=O)NNc2ncncc2Cl)C1	781009878	PRDVLZBFLMIYDV-ZJUUUORDSA-N	312.805	1.629	50	20	DDGD	
N#Cc1ccc(C(=O)NN=c2cc[nH]c3ccccc23)cc1O	785416274	XCTOKLZNHCKCPZ-UHFFFAOYSA-N	304.309	1.991	50	20	DDGD	
C=C[C@@H](CC)CC(=O)NNc1nccc(N2CCOCC2)n1	896662933	DTLUYAIZYZFWCR-LBPRGKRZSA-N	305.382	1.359	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21)c1cc2ccccc2cc1O	891823334	QKLWIMYIWBFGNE-IUIKQTSFSA-N	324.336	1.532	50	20	DDGD	
CCOC(=O)c1cc(NC(=O)NNC(=O)CC)c(F)cc1C	794367926	OYMDIWUZZSWZBZ-UHFFFAOYSA-N	311.313	1.874	50	20	DDGD	
Cc1nn(-c2ccccn2)c(Cl)c1C=NNC(=O)C(F)F	794928215	CEQHNFADRGRXIP-UHFFFAOYSA-N	313.695	1.944	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)c1cc(Cl)ccc1O	794901681	IYVKFXMRPXBTNH-PELKAZGASA-N	314.769	1.868	50	20	DDGD	
CCCC(=O)N1CSC[C@@H]1C(=O)NCCSSC	791155794	VJKKSXTXTSMWFO-SECBINFHSA-N	308.494	1.815	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@H]1[C@@H]1CCCO1	792920946	HHFPMMXEDNJRGA-IHRRRGAJSA-N	311.426	1.212	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1ccc(F)cc1C#N	793077923	JHZAVFQWEIURGP-UHFFFAOYSA-N	313.379	1.763	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCCC[C@H]1c1cc[nH]n1	796196062	OKTJVEWLSBOMEJ-JSGCOSHPSA-N	321.425	1.519	50	20	DDGD	
Cc1noc(C2CCC(=NNC(=O)c3cc(C)[nH]n3)CC2)n1	797401193	FDFYANRXVVOZAY-UHFFFAOYSA-N	302.338	1.853	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl	792907664	UJQNGSZMXYPWLJ-HOTUBEGUSA-N	322.236	1.448	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccccc2-n2cccn2)n1	794075177	HHJPVYGYOGTMPN-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
CN(NC(=O)C(=O)Nc1ccc(OCC#N)cc1)c1ccccc1	1344499196	KQOFKGLUMZFYEI-UHFFFAOYSA-N	324.340	1.695	50	20	DDGD	
O=C1Cc2cc(C(=O)NNC(=O)c3ccc[nH]3)c(Cl)cc2N1	1318850740	MYZSXJFWJDTHRG-UHFFFAOYSA-N	318.720	1.238	50	20	DDGD	
CCCC(O)(CCC)CC(=O)NNc1nncc(N)c1Cl	1319215423	ORRAVLQDBCSXMY-UHFFFAOYSA-N	315.805	1.877	50	20	DDGD	
N#Cc1cccc(OCC(=O)NNc2nncc(N)c2Cl)c1	1324009633	UJVUYVCLAZUQKI-UHFFFAOYSA-N	318.724	1.106	50	20	DDGD	
CN(C)[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)OC(C)(C)C	1321745019	XAPRSDNDZDFDJQ-WDEREUQCSA-N	300.403	1.598	50	20	DDGD	
C[C@@H]1CN(C(=O)OC(C)(C)C)CC1=NNC(=O)C[N+](C)(C)C	1331819292	CNJDLPBXYUDNJG-LLVKDONJSA-O	313.422	1.052	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)NCCc1cccs1	1335753844	IAYPWNPKGKKERZ-NWDGAFQWSA-N	311.407	1.436	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1cc(-c2ccn(C)n2)on1	1337237060	OIRWDHVAEUAJME-UHFFFAOYSA-N	303.149	1.951	50	20	DDGD	
CCO/C=C(/C#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)o1	1345518139	BSRATDGPBASKIK-KTKRTIGZSA-N	323.312	1.884	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1c(Cl)ccnc1Br	1352303925	VMDVHFMDQSPSEK-LURJTMIESA-N	322.590	1.455	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C1(C(=O)O)C(C)(C)C1(C)C	1602870917	NAXXEVDCSXZYNZ-UHFFFAOYSA-N	315.439	1.417	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNc2ccc(C(=O)O)cn2)c1	1600543150	KKHUEALXFVQCQU-NSHDSACASA-N	315.329	1.999	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCS1)c1cccc(-c2nn[nH]n2)c1	1602907169	SVKSMWLAGKIWMI-LBPRGKRZSA-N	316.390	1.603	50	20	DDGD	
O=C(CCc1ccc(C(=O)O)cc1)NNc1ccnc(F)c1	1601288370	LOYQEAGDTQMKLF-UHFFFAOYSA-N	303.293	1.995	50	20	DDGD	
CN(C)C1CCC(NC(=O)NNc2cccc(C(=O)O)c2)CC1	1606012503	FOQWIQTYXHIDEZ-UHFFFAOYSA-N	320.393	1.884	50	20	DDGD	
Cc1oc(C(=O)NNc2ccc(C(=O)O)cc2F)cc1CO	1600823194	GYDKBUJTUVQACP-UHFFFAOYSA-N	308.265	1.675	50	20	DDGD	
Cc1nnc(CNC(=O)NNc2ccc(C(=O)O)cc2F)o1	1608015831	BZDIBZQOWSQOSG-UHFFFAOYSA-N	309.257	1.042	50	20	DDGD	
N#C/C(=C/c1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CCCOC1	1606335571	ASJMOVWNBJSDCB-IAOKNECISA-N	309.329	1.769	50	20	DDGD	
N#Cc1cc(O)cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1	1606363193	AFVMIBQOAMXYOS-UHFFFAOYSA-N	321.300	1.201	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2n[nH]c3ccccc23)cc1	1602128692	QULCRVOVCUVMJB-UHFFFAOYSA-N	310.313	1.947	50	20	DDGD	
O=C(O)[C@@]1(C(=O)NNc2ccc(F)c(Cl)c2)CCCO1	1605935463	JPXQAGBVROZDPY-LBPRGKRZSA-N	302.689	1.556	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1ccc(F)c(C(=O)O)c1	1610700028	LATWHCVGGKNKHJ-UHFFFAOYSA-N	318.264	1.385	50	20	DDGD	
CC(F)(F)C(C)(C)C=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549684926	KOEZLGFRSNKIQS-WDEREUQCSA-N	303.353	1.633	50	20	DDGD	
CCn1nccc1[C@H]1OCCC[C@H]1C=NNC(=O)c1cc[nH]n1	1552454860	RGIRNKLYVAQMJP-FZMZJTMJSA-N	316.365	1.510	50	20	DDGD	
C=CCCC[C@H](N)C(=O)NNc1ccc(Br)nc1	1574908521	QVEKFHPCFDFHSG-JTQLQIEISA-N	313.199	1.971	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](N)CCCC#N)c1F	1578877718	IOQIQUCHWQUHAA-JTQLQIEISA-N	308.313	1.077	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@]2(C)CCCN2)cc1C	1579724363	VYUUSDIJRCCZKX-HNNXBMFYSA-N	306.435	1.763	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1ccc(C(=O)O)nc1	1574579179	YBLFBLRDQYWHTD-UHFFFAOYSA-N	324.296	1.378	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H](N)C(C)C)c1C	1578877638	DZMYSAAZXHQXSG-GFCCVEGCSA-N	308.382	1.391	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1cnc(C2CCNCC2)o1	1580742666	BSUCBTKIBWJFBQ-UHFFFAOYSA-N	322.756	1.342	50	20	DDGD	
N[C@H]1CC[C@@H](C(=O)NNc2nc(O)c3ccccc3n2)CC1	1580415440	QZWYCMXCJJKQBG-AOOOYVTPSA-N	301.350	1.296	50	20	DDGD	
COCC(=O)N1CCCC12CN(C(=O)[C@](C)(Cl)CCl)C2	1842690551	BHPUMTOHSNOVKP-GFCCVEGCSA-N	323.220	1.073	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2ccc(C(=O)O)cc2F)CCN1	1594258512	VHFHHZUODCHPNN-WPRPVWTQSA-N	310.329	1.291	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1ccccc1O[C@H](C)C(=O)O	1599242490	RERWNPWMWDNSIG-VSXLWIIGSA-N	318.329	1.208	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNc2cccc(F)c2C(=O)O)CCC1=O	1594204110	UPOZGYGJNCPVOQ-DTWKUNHWSA-N	308.309	1.972	50	20	DDGD	
Cn1c(NNC(=O)[C@@]2(C(=O)O)CC2(C)C)nc2ccccc21	1594522377	UWADFRKBIBZLMF-OAHLLOKOSA-N	302.334	1.517	50	20	DDGD	
Cc1cc(C)c(NNC(=O)c2cnc(C(=O)O)cn2)c(C)c1	1594296704	PETGUYQNHNRPRD-UHFFFAOYSA-N	300.318	1.857	50	20	DDGD	
CCCCS(=O)(=O)/C(C#N)=C\c1ccc(-c2nn[nH]n2)cc1	1590611562	MXQGYEQBEXCFBU-LCYFTJDESA-N	317.374	1.946	50	20	DDGD	
Cn1ncc(-c2nn[nH]n2)c1NC[C@@]1(C)C[C@H]1Br	1592597673	JCMCHFVMSZDOCJ-GMSGAONNSA-N	312.175	1.186	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C/c1cc(C(=O)O)c(OC)cc1OC	1776120415	GLDQWGCMIICIFU-IZZDOVSWSA-N	316.313	1.611	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)Cn2nc3ccccn3c2=O)c1	158717665	GTALHCDBQFSDEH-UHFFFAOYSA-N	311.345	1.256	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)CCSc2nnnn2C)c1	158817965	IMWVJCXIIILXKV-UHFFFAOYSA-N	306.395	1.452	50	20	DDGD	
CCCn1nc(C)c(C(=O)NNC(=O)c2cc(C)n[nH]2)c1C	153861066	LQGVLGDHUBHOGB-UHFFFAOYSA-N	304.354	1.016	50	20	DDGD	
Cc1ccc([C@H](C)NC(=O)NNC(=O)C(=O)N2CCCC2)cc1	155105093	AJUJSEQKEQVQCH-LBPRGKRZSA-N	318.377	1.009	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cnn(C)c2C)n1	155804352	PFRHYJLNOPKSEZ-UHFFFAOYSA-N	303.370	1.122	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2C[C@@](C)(OC)C2(C)C)nc1	157467421	LHMAKUVTEWLEGY-IAQYHMDHSA-N	308.382	1.920	50	20	DDGD	
CCc1ncc(S(=O)(=O)NNC(=O)OC(C)(C)C)s1	495857022	UJXWFQIXCHBXNC-UHFFFAOYSA-N	307.397	1.424	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[nH]n1	6295243	YSMVEVCOGJLQAR-UHFFFAOYSA-N	323.696	1.355	50	20	DDGD	
COC[C@H](C)NC(=S)NNC(=O)c1cc2ccccc2o1	8356719	CJFOAPHVSDYEPD-VIFPVBQESA-N	307.375	1.577	50	20	DDGD	
O=C(NNC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Cl)nc1	58381509	BDBBOXLVTQQWOC-UHFFFAOYSA-N	310.653	1.311	50	20	DDGD	
Cc1occc1C(=O)NCC(=O)NNc1ccc(F)cc1F	104130965	FILVWPJZJFYWEX-UHFFFAOYSA-N	309.272	1.739	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ncccc1Cl)N1CCCC1=O	114884895	GUFILUJWXIRKNB-GFCCVEGCSA-N	310.785	1.825	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCc2ccccn2)cc(C#N)n1C	56635685	SEHJYKFHLYJSSZ-AUWJEWJLSA-N	305.341	1.824	50	20	DDGD	
O=C(NCc1cccc([N+](=O)[O-])c1)NNC(=O)c1ccccc1	67722614	LFOYSOBZDWHDMY-UHFFFAOYSA-N	314.301	1.739	50	20	DDGD	
Cc1cccc(O[C@@H](C)CNC(=O)NNc2cccnn2)c1	173872697	UEXNSFBYYYVFPG-LBPRGKRZSA-N	301.350	1.879	50	20	DDGD	
CC(C)c1nc(C(=O)NNC(=O)Cc2cccnc2)cs1	171510481	BOCFHAWGSFUFHU-UHFFFAOYSA-N	304.375	1.665	50	20	DDGD	
C[C@@H](OC[C@H]1CCCO1)C(=O)NNc1cccc([N+](=O)[O-])c1	178841390	QVNNHBKFLXYZKY-ZWNOBZJWSA-N	309.322	1.622	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCc2ccc(Cl)s2)cn1	117679322	GSBHKJOTFAXUAF-UHFFFAOYSA-N	312.782	1.529	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1	66601947	DBMXSUFGGHQWDW-RYUDHWBXSA-N	311.426	1.511	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)NC(C)C)[nH]c(C)c1C(=O)OC	63265725	MVHNZVGJDRUTGJ-UHFFFAOYSA-N	324.381	1.415	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)[C@H]2C[C@@H]2C2CC2)nc2ccccc21	177611769	RIVYPNFJJRFXGZ-NEPJUHHUSA-N	312.373	1.309	50	20	DDGD	
O=C(NNc1cnccn1)Nc1cncc(Br)c1	179931076	PVZUSOJAKZMKPU-UHFFFAOYSA-N	309.127	1.783	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2cccc3cccnc23)n1	68885670	ZAHCREBSMIOALI-UHFFFAOYSA-N	324.344	1.860	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)c1ccc[nH]1)c1ccc(F)cc1	173672509	FYUACMMDFHGIIF-ZDUSSCGKSA-N	320.324	1.486	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccnc(Cl)c1	67432570	AEFDDUCKNMENEH-UHFFFAOYSA-N	305.721	1.818	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@H]1C(=O)NNC(=O)CCc1ccccc1	129492510	BRAPUBMGCSVDRP-IUODEOHRSA-N	302.374	1.772	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1cccc2[nH]ccc12	126132872	OBMDCQXDBRKBTJ-UHFFFAOYSA-N	316.361	1.690	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)[C@@H]3CCCO3)[nH]n2)cc1	32260123	GWZJDAWPBPUSBG-AWEZNQCLSA-N	314.345	1.325	50	20	DDGD	
Cc1ocnc1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	129123126	CKVHRHJJCPZVTP-VIFPVBQESA-N	307.281	1.351	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@H](O)c1c(F)cccc1F	77567959	CEZUCVNARFDDDN-JTQLQIEISA-N	315.320	1.375	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1cccnc1N1CCCC1	182503131	IPPBCWKZQYVUEG-UHFFFAOYSA-N	301.325	1.973	50	20	DDGD	
Cc1ccc2cc(C(=O)NNc3nccn(C)c3=O)ccc2n1	127143097	WUOGBMFOCMHADB-UHFFFAOYSA-N	309.329	1.394	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COCc2ccccc2)cc1O	181107765	GMGBIBZOHCBLKU-UHFFFAOYSA-N	314.341	1.678	50	20	DDGD	
C[C@H](CNC(=O)NNc1cncc(Cl)n1)CN1CCCC1	123076062	PADDCLXCZLBGBO-SNVBAGLBSA-N	312.805	1.488	50	20	DDGD	
CC[C@@H]1C[C@H](C(=O)NNC(=O)c2ccc(Cl)nc2)CCO1	183563383	DHJUGJSTODQILT-MWLCHTKSSA-N	311.769	1.701	50	20	DDGD	
O=C(CCCCc1c[nH]nn1)NNC(=O)Cc1ccccc1F	139311888	LQWSRXAVSZITQG-UHFFFAOYSA-N	319.340	1.047	50	20	DDGD	
COCCCN(C)C(=O)NNC(=O)c1cc2ccccc2o1	78347220	LYRSQVPCXGAMAV-UHFFFAOYSA-N	305.334	1.756	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)cn1	48315918	KOBOSJBUJLCESK-UHFFFAOYSA-N	318.352	1.781	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cccc(CC#N)c2)cc1	192733309	PYZCXPZEKHQCSV-UHFFFAOYSA-N	323.352	1.901	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NNc1ncc(Cl)cc1Cl	132497923	ATMRQDSBLORYDX-MRVPVSSYSA-N	320.180	1.669	50	20	DDGD	
Cc1cc(C)n2nc(C(=O)NNc3ccc(F)cc3)nc2n1	45971954	XAPIWFYKZBVFFC-UHFFFAOYSA-N	300.297	1.637	50	20	DDGD	
CC(C)CC(C)(C)CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	83750789	QUTWPWHICGGEBN-AWEZNQCLSA-N	319.471	1.440	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1ncn(-c2ccccc2)n1	132556583	OIYZTQXABAMKIG-UHFFFAOYSA-N	323.312	1.048	50	20	DDGD	
Cc1ccc(-c2cncc(C(=O)NNC(=O)C(C)(C)O)c2)cc1	192913674	HSKFDTUSIHCWCB-UHFFFAOYSA-N	313.357	1.589	50	20	DDGD	
C/C=C/C=C/C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1	93176754	BTFXJUMRQGPBTR-MQQKCMAXSA-N	321.764	1.236	50	20	DDGD	
C[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(CCCl)cc1	385143663	OFOKOJHMBFHUAH-CMPLNLGQSA-N	303.811	1.612	50	20	DDGD	
CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)NNC(=O)C(C)(C)C)C1	246480157	AFNFVIGGIXGINO-NNOLRYQLSA-N	317.455	1.443	50	20	DDGD	
O=C(/C=C\c1ccc(Cl)nc1)NNC(=O)Cc1ccncc1	255530013	XYEYAKLVEZPZNQ-RQOWECAXSA-N	316.748	1.533	50	20	DDGD	
CCOCc1cc(/C=C(/C#N)C(=O)NCCOC)ccc1OC	255052737	XPKASFOIHOGAAA-ZROIWOOFSA-N	318.373	1.901	50	20	DDGD	
CSC[C@@H](C)NC(=O)NNC(=O)COc1ccc(F)cc1	265549015	IPVHIGPWBDJYOT-SECBINFHSA-N	315.370	1.286	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncnc2ccsc12)[C@@H]1CCOC1	268887245	ODHYAQZYIBUEAK-RKDXNWHRSA-N	307.379	1.742	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NCCOCC1CC1	264493666	OLANRSVMEZRZMD-UHFFFAOYSA-N	319.405	1.766	50	20	DDGD	
CCCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1ccccn1	264567418	ZSPLIMFZHUGENC-ZDUSSCGKSA-N	318.377	1.024	50	20	DDGD	
CSC[C@@H](C)C(=O)NNC(=O)Cn1cnc2ccccc21	264509893	UUNHYXMAINDNMN-SNVBAGLBSA-N	306.391	1.183	50	20	DDGD	
N#C/C=C(\c1ccccc1)N1CCC[C@H](CS(N)(=O)=O)C1	267515845	RROANWOMHQTVHJ-LIOBOASVSA-N	305.403	1.552	50	20	DDGD	
CC1CC(NC(=O)NNC(=O)COc2ccccc2C#N)C1	267976491	FOIJMJJVFVPJCR-UHFFFAOYSA-N	302.334	1.066	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1C1CCCC1)c1ccccc1F	269658722	JOJSEWAOORXFBC-OAHLLOKOSA-N	319.380	1.994	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@H]2CCCN2C)cc(C#N)n1C	264953474	YJCHPBNLSZXOEZ-KEQVLUGWSA-N	311.389	1.323	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCc3nccn3C2)c1	364270961	NZEPVRDIQWRVOM-LBPRGKRZSA-N	314.345	1.375	50	20	DDGD	
C[C@@H](NC=C(C#N)C#N)c1cccc(S(=O)(=O)N(C)C)c1	263833222	DIYWHKUNFLJEIJ-LLVKDONJSA-N	304.375	1.519	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@]1(C)CCCOC1)c1ccccc1	273003045	SYFVUEXZIAJMPN-KRWDZBQOSA-N	304.390	1.928	50	20	DDGD	
COc1ccc(NC(C)=O)cc1NC(=O)NNC(=O)C1CCC1	272414394	ZJEQIGMVKLTRNI-UHFFFAOYSA-N	320.349	1.606	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)CCCC(C)=O	274842833	ULNVWIXQBXWHIS-UHFFFAOYSA-N	324.402	1.694	50	20	DDGD	
COC[C@@H](CNC(=O)NNc1cccc([N+](=O)[O-])c1C)OC	272974739	OSEYVULYMQZQFZ-SNVBAGLBSA-N	312.326	1.191	50	20	DDGD	
CCCc1nnc(NC(=O)NNC(=O)Cc2cccnc2)s1	273480475	ZMXBFSWTULILAC-UHFFFAOYSA-N	320.378	1.281	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C	369789357	IBBNNSKZLCHRDJ-UHTWSYAYSA-N	311.426	1.957	50	20	DDGD	
COc1ccc2c(c1)OC[C@H](C(=O)NNc1ncccc1F)C2	367669267	ROTSSMPBHZSPOD-LLVKDONJSA-N	317.320	1.924	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C[C@](C)(O)C2CC2)cc1	270443333	OIZMVDSNPUZIGD-INIZCTEOSA-N	305.378	1.105	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C2SCCS2)c1	270527047	SQYCGTRYFQHOGS-UHFFFAOYSA-N	312.416	1.327	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2COc3ccc(F)cc3C2)ncn1	372369785	OIWZCVFRBOAZEZ-NSHDSACASA-N	302.309	1.619	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCC2(C)C)cc1	282655058	HPUOIEVHNFRFBG-CYBMUJFWSA-N	317.389	1.907	50	20	DDGD	
Cc1cc(Cl)cc(C(=O)NNC(=O)N2CCN(C)CC2)c1	288069191	UFYOKQAJQYIRPA-UHFFFAOYSA-N	310.785	1.250	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H](C(=O)NNc2ccc(C(F)(F)F)cc2)O1	281107724	HEGTYGYASBKWIW-VHSXEESVSA-N	317.267	1.181	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@@H]1CCN2CCC[C@H]2C1	373933668	NEQDWKQYGYVPIK-KGLIPLIRSA-N	302.378	1.257	50	20	DDGD	
COc1nccnc1NNC(=O)c1cccnc1OC(C)C	288008253	YFCMMZBHMUTAHH-UHFFFAOYSA-N	303.322	1.424	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)Cn1c(C)cc(O)cc1=O	281648527	BFARGTDCKBDLEB-UHFFFAOYSA-N	315.373	1.876	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)[C@H](O)C(C)C)cc1OC	285232970	YAKARAOGOACEAJ-CQSZACIVSA-N	324.377	1.262	50	20	DDGD	
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NNC(=O)c1ccc(C)s1	281932183	WTCQDDNVKFNRKR-DGCLKSJQSA-N	323.418	1.982	50	20	DDGD	
COCc1ncsc1C(=O)NNc1cccc(C(=O)OC)c1	803083900	LUVHAMAOYLSQDN-UHFFFAOYSA-N	321.358	1.833	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccc(-c2cnn(C)c2)s1	800809510	REEWKXCEUBLLSV-UHFFFAOYSA-N	319.390	1.123	50	20	DDGD	
CCOc1ccc(NNC(=O)NCc2nc(C3CC3)n[nH]2)cc1	298172102	QVNJRFUALAQOHR-UHFFFAOYSA-N	316.365	1.907	50	20	DDGD	
Cn1cncc1CC(=O)NNc1ccc([N+](=O)[O-])cc1Cl	807121938	PKFDWQIUDVIBPO-UHFFFAOYSA-N	309.713	1.668	50	20	DDGD	
CC(C)(C)Oc1ccc(C(=O)NNC(=O)c2cccnc2)nc1	292371015	SHKJNUQVLAXWLL-UHFFFAOYSA-N	314.345	1.729	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H](O)c1ccc(Cl)cc1	291488480	SHRWAMREBYFVQQ-JTQLQIEISA-N	300.742	1.929	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)CCCNC(=O)C2CC2)c1	294013916	VAZUCRZXDHMYBE-UHFFFAOYSA-N	318.377	1.395	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H](C(C)C)N(C)C)cc1	802051197	PAIIZIPGNRBNKS-ZDUSSCGKSA-N	308.382	1.434	50	20	DDGD	
C[C@H]1Oc2ccccc2[C@H]1NC(=O)NNC(=O)[C@@H]1CCCO1	292010062	MNVJOFBUJUHRID-ICCXJUOJSA-N	305.334	1.018	50	20	DDGD	
CSC1(C=NNC(=O)Cn2nnc(-c3ccccc3)n2)CC1	800804867	KPFJOMJZILVYST-UHFFFAOYSA-N	316.390	1.338	50	20	DDGD	
COC(=O)C1(C(=O)NNc2cc(Cl)ccc2[N+](=O)[O-])CC1	296872499	JXLSFTNEMWZZAN-UHFFFAOYSA-N	313.697	1.645	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)COCc1ccccc1)C1CC1	291679041	LEIUEIIULIKWLS-MRXNPFEDSA-N	306.362	1.166	50	20	DDGD	
C[C@@H](OCCc1ccccc1)C(=O)NNC(=O)NC1CCCC1	294696238	KVKZNKIVNFRJMS-CYBMUJFWSA-N	319.405	1.907	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H]2CCCCO2)cccc1[N+](=O)[O-]	295672531	XENFIMQENOEFFS-LBPRGKRZSA-N	307.306	1.233	50	20	DDGD	
Cc1cc(C)nc(C(=O)NNC(=O)COc2ccc(C#N)cc2)c1	801082230	LPSHITDNAAZLTB-UHFFFAOYSA-N	324.340	1.410	50	20	DDGD	
C[C@@H](CN(C)C)NC(=O)NNC(=O)c1cccc2cccnc12	807576537	SLDFZDKIWZLREZ-NSHDSACASA-N	315.377	1.129	50	20	DDGD	
Cc1c(NNC(=O)Cc2cnn(C)c2C)cccc1[N+](=O)[O-]	293320515	IRGWSMUULHGFMC-UHFFFAOYSA-N	303.322	1.631	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc(NCC2CC2)nc1	295369364	JVGQEYYGYHGMBZ-CYBMUJFWSA-N	318.377	1.234	50	20	DDGD	
C[C@H](CNC(=O)OC(C)(C)C)NC(=O)NNc1ccncn1	296867894	MYJFFPXUCCVTTN-SECBINFHSA-N	310.358	1.016	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNC(=O)Cn1cnc2ccccc21	299271852	XAHNUYGPZKLYDC-GFCCVEGCSA-N	318.377	1.389	50	20	DDGD	
COc1ccc(-c2ocnc2C(=O)NNc2cnccn2)cc1	809679284	DBJVTFXWCUMDGF-UHFFFAOYSA-N	311.301	1.897	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(-c2ccco2)on1	295728570	LYZCQUIYPFGFQD-NSHDSACASA-N	305.290	1.265	50	20	DDGD	
O=C(NNC(=O)c1cnn(CCF)c1)c1cccc(Cl)c1	806272961	OTWKZROFZVAHIT-UHFFFAOYSA-N	310.716	1.581	50	20	DDGD	
O=C(CCOc1ccccc1F)NNC(=O)N=c1cc[nH]cc1	802035126	ANLGPUSFJKQPPN-UHFFFAOYSA-N	318.308	1.264	50	20	DDGD	
Cc1cccnc1CCCNC(=O)NNC(=O)[C@@H]1CCCCO1	296656637	FWLIWFKJNBHLSE-AWEZNQCLSA-N	320.393	1.222	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1ccc(Cl)cc1F)C1CCCC1	813411117	HUEOTKIRGKGXHJ-LBPRGKRZSA-N	314.744	1.850	50	20	DDGD	
O=C(CSc1ccccc1O)NN=C1CCN(CCO)CC1	819813833	SLRUTHLPFIBCPZ-UHFFFAOYSA-N	323.418	1.045	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCC2CC2)ccc1-n1cccn1	817525974	ZDMZEWGNUFGURY-UHFFFAOYSA-N	313.361	1.535	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)c1ccc2c(c1)OCO2	812447647	TWDSCRFJGJJTGE-ZJUUUORDSA-N	308.334	1.095	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)c1cnn(-c2ccccc2)c1	819123453	YJYMFVBQMFXLPX-UHFFFAOYSA-N	312.329	1.003	50	20	DDGD	
CCOc1nc2ccc(C(=O)NNc3ncncc3F)cc2[nH]1	817079118	INZOGYGTLKIAAR-UHFFFAOYSA-N	316.296	1.648	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)C[C@@H](C)C(=O)O	817869763	RCVHQEPDPTUYGA-MRVPVSSYSA-N	301.774	1.531	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2(F)CCCCC2)cc1	813374035	QMHQOQXOBWMNNU-UHFFFAOYSA-N	321.352	1.753	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)CSc2ccccc2O)c(C)o1	815889992	SKGKTMRQAVYWRI-UHFFFAOYSA-N	321.358	1.550	50	20	DDGD	
N#C[C@H]1CCCC(=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)C1	814753535	YWUZKVXOWQUUMQ-VIFPVBQESA-N	301.306	1.977	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Cc1csc(-c2nc[nH]n2)n1	729857446	VCLONLDFIYITDO-UHFFFAOYSA-N	324.366	1.027	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1cc(C(F)(F)F)cc(Cl)n1	816634108	YMZQUAMOJNRENL-UHFFFAOYSA-N	306.635	1.629	50	20	DDGD	
N#Cc1ccc(NC(=O)NNC(=O)Cc2cccnc2)cc1F	810254856	KKCFRXDTIYDUMW-UHFFFAOYSA-N	313.292	1.488	50	20	DDGD	
O=C(NN=C1CCN(CCO)CC1)c1cc2c(s1)CCC2	819805882	FTYKIGCQLPKJBR-UHFFFAOYSA-N	307.419	1.411	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2nccnc2N)cc1C	812723072	CQWRBFMTTQWOSD-UHFFFAOYSA-N	315.333	1.301	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCc2cccc(F)n2)cc(C#N)n1C	491053405	YJAJRIIDZXCRTR-AWNIVKPZSA-N	323.331	1.963	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)C[C@@H]2CC[C@H]3C[C@H]23)c1	822223182	KDWQMOBVZAJBQI-HUBLWGQQSA-N	301.390	1.950	50	20	DDGD	
CNC(=O)/C(C#N)=C\c1ccc(OCCC(=O)O)c(OC)c1	490880975	WLNCCZQKPZPCSL-XFFZJAGNSA-N	304.302	1.202	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@]23CCC[C@@H]2C3)cn1	829003878	ZVXYSGSNCQLKMH-YMTOWFKASA-N	306.391	1.598	50	20	DDGD	
O=C(NCc1ccco1)NN=Cc1cc(-c2nn[nH]n2)cs1	823261929	XHWICFNKEPZUSD-UHFFFAOYSA-N	317.334	1.355	50	20	DDGD	
COc1cccc(C=NNC(=O)CNC(=O)OC(C)(C)C)c1	494726149	MOOGHESBUSHUFZ-UHFFFAOYSA-N	307.350	1.670	50	20	DDGD	
O=C(CCC1CC1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	826405336	BWKNNFVRJFUYOL-UHFFFAOYSA-N	307.745	1.548	50	20	DDGD	
COc1ncc(/C=C\C(=O)NNc2ccc(F)cc2F)cn1	492643273	CAUIQOVGXMFMOZ-DJWKRKHSSA-N	306.272	1.920	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H]1CCCCN1C(=O)c1ccccc1	823842032	OLYBOIITODNGIT-HNNXBMFYSA-N	319.405	1.027	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1Cl	823475190	OOCNIMVEGJLGPP-PWSUYJOCSA-N	310.781	1.763	50	20	DDGD	
CN(C)CCN(CCc1ccccc1)S(=O)(=O)CCl	725351114	GXLUFCHAUDYPAR-UHFFFAOYSA-N	304.843	1.619	50	20	DDGD	
CCN(CCO)NC(=O)CCc1ccccc1OC(F)(F)F	823856314	PLYCBDGRAKPGRO-UHFFFAOYSA-N	320.311	1.863	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cccc(C(=O)NCCOC)c1	490945116	ZYIDZRUAKWTNKH-ACCUITESSA-N	317.345	1.445	50	20	DDGD	
OB(O)c1cccc(CNc2ccccc2O[C@H]2CCOC2)c1	585012081	LPIPTMATLWTEOD-HNNXBMFYSA-N	313.162	1.146	50	20	DDGD	
CCC[C@@H]1CCC[C@H]1C(=O)NNc1nc(O)c2cnn(C)c2n1	823326071	RYNKKVGPQQTTAQ-NXEZZACHSA-N	318.381	1.728	50	20	DDGD	
CC(C)O[C@@H]1C[C@H](NCc2ccc(B(O)O)cc2F)C1(C)C	585036808	PRNSOMJWEDJCFC-LSDHHAIUSA-N	309.190	1.187	50	20	DDGD	
N#CC1=CCN(CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1	826380919	QLUDOCZRWALLRC-UHFFFAOYSA-N	323.360	1.351	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NC[C@@]2(C)CCOC2)cc(C#N)n1C	490637651	HQJYDXZGNPKFOV-JJKQHFEOSA-N	312.373	1.655	50	20	DDGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC(O)C2)c(C)n1CC(C)C	490726123	OATGKGIKCKTXSN-GIDUJCDVSA-N	301.390	1.871	50	20	DDGD	
CCN(C[C@H](O)C(F)(F)F)C(=O)[C@@]1(C)C[C@H]1Br	907526890	ROWGZIKGFXOACQ-FJXKBIBVSA-N	318.133	1.932	50	20	DDGD	
COCCOc1ccc(C=NNC(=O)NCC(F)(F)F)cc1	730462752	OZRFHATXFBHTBM-UHFFFAOYSA-N	319.283	1.907	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC(CCN2CCOCC2)CC1	491007683	GKAQPUSDYUEEDW-JQIJEIRASA-N	321.421	1.391	50	20	DDGD	
O=C(NNC(=O)C1CCC1)NC1CCN(CC(F)(F)F)CC1	732243008	JOALIZNBORTCPH-UHFFFAOYSA-N	322.331	1.144	50	20	DDGD	
O=C(NCc1cc(F)cnc1Cl)NNC(=O)C1CCCC1	836427387	WMQYQKYTLBJDAF-UHFFFAOYSA-N	314.748	1.895	50	20	DDGD	
O=C(Cc1cc(F)cc2c1OCOC2)NNc1cnccn1	734244970	CIFPHSDYDWUARV-UHFFFAOYSA-N	304.281	1.168	50	20	DDGD	
C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)CCl)c1	830087372	GLXHGBYPDLMNAA-UHFFFAOYSA-N	300.767	1.064	50	20	DDGD	
CCCN1CCC[C@@H](C(=O)NNc2nc(C)cc(OC)n2)C1	906878262	LMWSWQFYHSVWFV-GFCCVEGCSA-N	307.398	1.359	50	20	DDGD	
O=CN1CCC[C@@H]1C(=O)NNc1ccc(OC(F)(F)F)cc1	830792126	QXMKLGXICKTKEU-LLVKDONJSA-N	317.267	1.649	50	20	DDGD	
Cc1ccc(OCCCC(=O)NNC(=O)[C@H]2CCCCO2)cc1	833261898	RSNNRJUGAMYNSI-OAHLLOKOSA-N	320.389	1.871	50	20	DDGD	
CN1C(=O)CC[C@@H]1CC(=O)NNc1ncc(Cl)cc1Cl	832395035	FHXHQPAXXIPPRJ-MRVPVSSYSA-N	317.176	1.842	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1ccc(Cl)s1	839401823	CLSVHTMUSJEEFP-JTQLQIEISA-N	315.826	1.820	50	20	DDGD	
C[C@]1(C(=O)NC[C@H](O)COCC2CC2)C[C@@H]1Br	907007826	GHNSMNVGQBYJRN-NHCYSSNCSA-N	306.200	1.064	50	20	DDGD	
CCNC(=O)Nc1ccc(C)c(NCc2ccc(B(O)O)o2)c1	585038631	IKUMULSCWMTIIG-UHFFFAOYSA-N	317.154	1.021	50	20	DDGD	
CC[C@H](OCCNCc1ccc(B(O)O)o1)c1ccccc1	585045877	NUPVIKOIZHNMKK-HNNXBMFYSA-N	303.167	1.217	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)c3ncon3)cc2C1	832825596	AVHVMKFXJHXPKB-SSDOTTSWSA-N	306.347	1.331	50	20	DDGD	
C[C@@H](N)C[C@@H](C)NC(=O)NNC(=O)c1c[nH]c2ccccc12	831197621	SJZZONPDQFPGCD-NXEZZACHSA-N	303.366	1.238	50	20	DDGD	
CC[C@@H](CNC(=O)NNc1ccc(F)c(C(=O)OC)c1)OC	838596274	CIKMUSWMYSSEIB-JTQLQIEISA-N	313.329	1.663	50	20	DDGD	
O=C(NC[C@H]1CCCC[C@@H]1C1CC1)c1cc(B(O)O)ccc1F	584997924	LPFYROOGYQRDSM-TZMCWYRMSA-N	319.185	1.452	50	20	DDGD	
O=S(=O)(CCl)N1CCO[C@@H](c2ccc(F)cc2F)C1	831164564	FCFYDWHINFBNIG-LLVKDONJSA-N	311.737	1.864	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)n1	839704219	PQLXBUCGPKQEBM-QJPTWQEYSA-N	317.393	1.381	50	20	DDGD	
CNC(=O)c1c(NC(=O)[C@]2(C)C[C@@H]2Br)n[nH]c1C	913175847	WROSVIKERGSJPR-UPONEAKYSA-N	315.171	1.190	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCC1(C(=O)O)CCCCC1	833422963	QUNIBNCYCAGLGX-UHFFFAOYSA-N	313.398	1.788	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H](C2CCC2)C2CC2)n1	836688890	NAMKSNBMCIHFHU-ZDUSSCGKSA-N	305.382	1.998	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NNc1ccc(C(=O)O)cn1	833603491	OHCCGLGYQIUJEZ-AXFHLTTASA-N	306.366	1.484	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@H](C)C[C@@H](C)N)c1ccccc1	831212802	WEIRBMHUCPEQAL-BZPMIXESSA-N	306.410	1.636	50	20	DDGD	
COc1ccccc1C(=O)NN=C[C@H](OC)C1CCOCC1	834956004	JCXBNIDZCAVZET-HNNXBMFYSA-N	306.362	1.852	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)Nc2ccccc2)cn1	918543044	SELZLZVGCYNJLG-UHFFFAOYSA-N	301.306	1.948	50	20	DDGD	
Cc1ccc(C=NNC(=O)Cc2cc(O)nc(O)n2)cc1F	743445748	FQJLJDQANFCXEZ-UHFFFAOYSA-N	304.281	1.028	50	20	DDGD	
CC(=O)CCC(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	913423016	OGBSSSGYALKLRW-UHFFFAOYSA-N	300.318	1.207	50	20	DDGD	
COc1cccc([C@H](C)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	843643886	AYNSYPFVOUZOCQ-COPLHBTASA-N	306.362	1.371	50	20	DDGD	
C[C@@H]1CC/C(=C\C(=O)NNc2ccccc2S(N)(=O)=O)C1	842262763	XCZKXMYNXNDPRM-OYVNLZQHSA-N	309.391	1.524	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1nc2ccccc2n1C	748257975	MZVPMRWWJRPUNW-LBPRGKRZSA-N	318.377	1.465	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)C1CCCC1	914843161	AGNMBCUDTDSSCW-YGRLFVJLSA-N	304.346	1.553	50	20	DDGD	
CCN(CC)CCSCC(=O)NNc1nccnc1OC	840571411	KBAWVSOLIWIFQU-UHFFFAOYSA-N	313.427	1.003	50	20	DDGD	
CC(C)(C)c1cc(C=NNC(=O)C(N)=O)c(O)c(C(C)(C)C)c1	916273916	DMSFEUZMDVIIDJ-UHFFFAOYSA-N	319.405	1.923	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CN(C)c1nc2ccccc2s1	910166978	AYWQBFVZBTWJRK-JTQLQIEISA-N	308.407	1.076	50	20	DDGD	
CC(C)C[C@H](CN)NC(=O)NNC(=O)CCc1ccccc1	841953783	LNNNODPAIVLOLF-CQSZACIVSA-N	306.410	1.323	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)c2ccc[nH]2)c(OC)c1	918234507	BVAXJEKIGFHGCI-UHFFFAOYSA-N	318.333	1.176	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1(c2ccc(Cl)cc2)CC1	843649000	RXMBBRFBZGQJJU-MFKMUULPSA-N	322.792	1.944	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2C[C@H]2C2CCC2)c1	844286472	BYSWDKLATYTKKQ-LSDHHAIUSA-N	318.373	1.901	50	20	DDGD	
CC(=NNC(=O)CCc1ccccc1)c1cc(C(N)=O)n(C)c1	749745931	WEPHAXNBBRECDS-UHFFFAOYSA-N	312.373	1.597	50	20	DDGD	
C=C(C)CONC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	845591604	ZSHBELGCXCASMS-JTQLQIEISA-N	311.313	1.431	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=S)Nc1cccc(C)c1	740772600	NXMQERAJSSFOGZ-UHFFFAOYSA-N	322.434	1.617	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1SCCc2ccccc21	843652201	IPFKZHGOIYDMHL-VHRBIJSZSA-N	320.414	1.589	50	20	DDGD	
Cc1cc(Cl)cc(C(=O)NNC(=O)CN2CCCC2=O)c1	913731302	CECGMRBVNKTDDO-UHFFFAOYSA-N	309.753	1.032	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNC(=O)[C@H]1COc2ccccc2O1	841003881	GXMURQTUFAKOEY-UONOGXRCSA-N	322.361	1.035	50	20	DDGD	
CCCCNC(=O)NN=Cc1cccc(OCCC(=O)O)c1	746680381	UZIXKVDYLFUOEM-UHFFFAOYSA-N	307.350	1.973	50	20	DDGD	
CC(C)(C)c1ncc(/C=C(/C#N)S(=O)(=O)NC2CC2)cn1	840719603	HZNFHFJFLBTORL-SDQBBNPISA-N	306.391	1.720	50	20	DDGD	
COc1cccc(NCC(=O)NNc2nc(C)cc(OC)n2)c1	846670619	GNHWELBNSTXJNB-UHFFFAOYSA-N	317.349	1.357	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1	846643187	LFIPLJAEWHVEAC-JTQLQIEISA-N	323.368	1.924	50	20	DDGD	
CCSc1ccccc1C(=O)NNC(=O)N1CCOCC1	745988135	QUFHCAMRHMLBGU-UHFFFAOYSA-N	309.391	1.485	50	20	DDGD	
Cn1c(NNC(=O)[C@@H]2Cc3ccccc32)nc2ccccc2c1=O	742076090	KDXWPNGIFKXJOL-CQSZACIVSA-N	320.352	1.717	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NC2CCCC2)c(C(F)(F)F)n1	744053128	CGASGHGGMWQOJU-UHFFFAOYSA-N	319.287	1.326	50	20	DDGD	
CC1(C)CC[C@@H](C(=O)NNc2ccccc2S(N)(=O)=O)C1	842263077	ZFRLKYOTNPPHDE-SNVBAGLBSA-N	311.407	1.603	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(OC(C)C)cc1	748259987	NXXQGJSCNLDMMF-ZDUSSCGKSA-N	308.378	1.975	50	20	DDGD	
CCn1nncc1C=NNC(=O)Nc1ccc(N(C)C)cc1	841626964	WSIYZZQTZTWZRA-UHFFFAOYSA-N	301.354	1.520	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)c1ccccc1O	750944828	BQBKEZWDISZOKL-UHFFFAOYSA-N	317.370	1.724	50	20	DDGD	
C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NNC(=O)c1cc[nH]n1	855359440	ROQILDDSROSDOJ-SNVBAGLBSA-N	314.345	1.127	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)N[C@H]1CCCC12OCCO2	923812348	KNOUZFMNNUXDPZ-LBPRGKRZSA-N	313.304	1.887	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2ccc(C)c(F)c2)[C@H]1OC	854006769	NKRSSAOTUKOPCD-MGPQQGTHSA-N	311.357	1.953	50	20	DDGD	
CN1CCC[C@@H]1CNC(=O)NNc1ccc([N+](=O)[O-])cc1F	853486531	VPBUESZLHFOQOU-SNVBAGLBSA-N	311.317	1.454	50	20	DDGD	
COc1cccc2c1CCC(=NNC(=O)N1CCN(C)CC1)C2	754979840	MFQGTQGWVMHUTH-UHFFFAOYSA-N	316.405	1.497	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cnc2nccnc2c1	759976565	SOLQCPZFNPCKTQ-UHFFFAOYSA-N	310.273	1.690	50	20	DDGD	
O=C(NN=CCCc1ccccc1)[C@@H]1CN2CCC[C@@H]2CO1	853387056	HSQZJXMAPXLCTR-CVEARBPZSA-N	301.390	1.584	50	20	DDGD	
N#CCc1ccc(C(=O)NNC(=S)NCC2CCC2)cc1	759781716	LKDKGCHRIKRLKD-UHFFFAOYSA-N	302.403	1.662	50	20	DDGD	
CCc1ccc(C(C)=NNC(=O)CNC(=O)c2ccco2)o1	752165250	PEQDUVGGERNNQJ-UHFFFAOYSA-N	303.318	1.705	50	20	DDGD	
COc1cccc(C(C)=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c1	853387456	ZKPAXQOUEICVRQ-ZBFHGGJFSA-N	317.389	1.399	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)[C@H]1CC(=O)N(C2CCCC2)C1	856095879	VIRNVKXAVRJQDO-JTQLQIEISA-N	322.796	1.969	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc(C(C)C)c1	850282267	UDFXUXGODAJJIX-NSHDSACASA-N	306.362	1.913	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)c1cccc2ncccc12	755337145	XDFOTOGUXJCKKN-LLVKDONJSA-N	301.346	1.668	50	20	DDGD	
CC(=NNC(=O)c1cc(Br)c[nH]1)c1cnn(C)c1	920826950	JAXQYPBZJYKUNE-UHFFFAOYSA-N	310.155	1.665	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(C(=O)NCC)cc1	929755328	LOJLMSAKXJTMOH-UHFFFAOYSA-N	316.361	1.393	50	20	DDGD	
COc1ccc(NNC(=O)c2ncn(C)n2)c(C(F)(F)F)c1	857264687	KBDAJKRUDPWHRB-UHFFFAOYSA-N	315.255	1.599	50	20	DDGD	
CNC(=O)NN=Cc1cc2ccccc2nc1N1CCOCC1	920377152	MUGJEFIFPGJYNL-UHFFFAOYSA-N	313.361	1.334	50	20	DDGD	
CN(CC(=O)NC[C@@]1(C)C[C@H]1Br)C(=O)C1CC1	857397031	IIVKAHIWZXBWDS-BXKDBHETSA-N	303.200	1.145	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2noc3c2COCC3)c1	857859952	IXPHXMDAGZALMI-UHFFFAOYSA-N	307.281	1.652	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc2nnc(C(C)(C)C)n2c1	854922977	VOZDVYWROLOZQH-UHFFFAOYSA-N	320.422	1.108	50	20	DDGD	
CC(C)(C)OC(=O)N1CCc2c(C=NNC(N)=O)cccc2C1	853255664	GLGVUOPCBSBKQU-UHFFFAOYSA-N	318.377	1.982	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)CS(=O)(=O)C1CCCC1	855367810	SCXMCJIFXNYFHG-UHFFFAOYSA-N	314.382	1.935	50	20	DDGD	
CCNc1nc(C)c(C(=O)NNc2nc(C)cc(OC)n2)s1	759266957	ZEYVKNLAWDIKDM-UHFFFAOYSA-N	322.394	1.747	50	20	DDGD	
COC[C@H](CNC(=O)NC[C@@]1(C)C[C@H]1Br)OC	856883030	CRPBMWHLGUHCPJ-IQJOONFLSA-N	309.204	1.121	50	20	DDGD	
Cc1nccn1CCCC(=O)NNC(=O)OCC(F)(F)F	856024181	LJJQARFTBSUTSK-UHFFFAOYSA-N	308.260	1.291	50	20	DDGD	
C[C@@H]1C[C@@H](CCNC(=O)NNC(=O)CC(F)(F)F)CCO1	753333813	FJMLOUCWWNQIEX-BDAKNGLRSA-N	311.304	1.474	50	20	DDGD	
CCn1nncc1C(=O)NNc1cccc(C(=O)OC)c1C	855624211	FOFUGUQRZMRHHA-UHFFFAOYSA-N	303.322	1.150	50	20	DDGD	
COc1ccc(CNC(=O)NNc2ccc(C)nn2)c(F)c1	758868313	XJFXRXLNXHZSEK-UHFFFAOYSA-N	305.313	1.759	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(F)c(F)c(F)c1)[C@H]1CCC(=O)N1	860329319	SLKGMPZIGADMCX-LHLIQPBNSA-N	301.268	1.462	50	20	DDGD	
CCn1cnc2c1CCN(CCI)C2	933254269	PETINFBSOOBBJQ-UHFFFAOYSA-N	305.163	1.696	50	20	DDGD	
COc1ccc(NNC(=O)CCCn2cccn2)c([N+](=O)[O-])c1	768329542	YKEKLQFFECJOPW-UHFFFAOYSA-N	319.321	1.723	50	20	DDGD	
CC/C(=C\C(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccc(C)cc1	862454815	BJYQOQVCJXQBDS-IEZBTEQYSA-N	315.373	1.214	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1cccc2c1CCCC2	763817131	BSAREEULRJVRGN-UHFFFAOYSA-N	303.362	1.307	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1F	763817519	MJFYTFKRTYVMID-UHFFFAOYSA-N	301.705	1.221	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccc(-c2ccccc2)[nH]1	869910120	NVWJWMIGYGJIKX-UHFFFAOYSA-N	317.345	1.106	50	20	DDGD	
Cn1cccc1C(=O)NN=C1CCN(c2nccs2)CC1	764669402	NWCRYCFPBUJYOT-UHFFFAOYSA-N	303.391	1.868	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1cccnc1N	764666394	POEHOGDCSDFDDE-UHFFFAOYSA-N	300.318	1.202	50	20	DDGD	
Cc1sc(Cl)nc1C(=O)NNC(=O)CC(F)(F)F	762843819	KPKITLWJQDHWHV-UHFFFAOYSA-N	301.677	1.818	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)cc[nH]1	862511029	DBGFTJJSOFQFQD-LBPRGKRZSA-N	322.434	1.203	50	20	DDGD	
Cc1cc(CCCC(=O)NNC(=O)[C@H]2CCC(=O)N2)c(C)s1	862457047	ZPRDPNNRASOLTL-GFCCVEGCSA-N	323.418	1.114	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C[C@@H](C)c2ccccc2C)n[nH]1	869013790	JDKZJHINOSACIN-GFCCVEGCSA-N	314.389	1.910	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)COC(=O)C1(C)CCC1	767369647	UQUWGLTYXKWWJL-UHFFFAOYSA-N	318.373	1.418	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@]2(C)C[C@@H]2Br)cc[nH]1	875758397	LWASVURVNKYDBB-JQWIXIFHSA-N	313.199	1.612	50	20	DDGD	
Cc1ccc([C@@H](C)C=NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1	863077796	LNJOKNHMQNJBCQ-JSGCOSHPSA-N	308.403	1.635	50	20	DDGD	
Cc1cccn2cc(CC(=O)NN[C@@H](C)C(F)(F)F)nc12	862308363	DEKCIBGMUBMGRV-VIFPVBQESA-N	300.284	1.757	50	20	DDGD	
C[C@@H]1CCc2c(F)cccc2C1=NNC(=O)[C@@H]1CCC(=O)N1	863149267	WFAXLYSQXKZTBI-RNCFNFMXSA-N	303.337	1.507	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)c1ccc(O)nc1	764046475	LAEBZAGUQQWDRN-UHFFFAOYSA-N	319.342	1.046	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CCC(=O)[C@@H](C)C2)nc1	765249789	QFBAMJHSVYWNDN-UWVGGRQHSA-N	305.334	1.317	50	20	DDGD	
CC1(C)CCc2cc(C=NNC(=O)[C@H]3CCC(=O)N3)ccc2O1	863145328	MNLGQPZDMQHPBU-CYBMUJFWSA-N	315.373	1.519	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C1CC[C@H]1c1ccccc1	769792766	KJJWXBBHDDUYCL-HNNXBMFYSA-N	322.368	1.861	50	20	DDGD	
Cc1cccc2cc(C(=O)NNC(=O)[C@H]3CCC(=O)N3)sc12	862461964	NRDOIIQUZAYBMA-SNVBAGLBSA-N	317.370	1.249	50	20	DDGD	
C[C@H](C=NNC(=O)c1csc(N2CCOCC2)n1)CCC#N	765995513	VLVAYPOPLBNXDT-NSHDSACASA-N	321.406	1.635	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)CSc1ccccc1O)C1CC1	763524457	KVYUOEWAZXRFTI-SNVBAGLBSA-N	323.418	1.861	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc2c(c1)CCC(=O)N2	761823839	LJOSGNJGDVQRLG-UHFFFAOYSA-N	320.418	1.479	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CCn1cccc1	772188107	YZAVWGFKMBGVHV-LBPRGKRZSA-N	309.366	1.003	50	20	DDGD	
CCNc1ccccc1C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	872388160	JZEBPDJLTVGCEW-ZBFHGGJFSA-N	316.405	1.432	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)NCC(F)F)c1C	879759549	QVGOGYCIXIKLFH-SNVBAGLBSA-N	315.320	1.666	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCc1ccc2[nH]ccc2c1	775726564	XCZMHXNCMOPFBR-UHFFFAOYSA-N	311.345	1.593	50	20	DDGD	
COC(=O)Cn1cccc1C=NNC(=O)c1ccc(Cl)nc1	776185272	FUHIYMXGSZYSJX-UHFFFAOYSA-N	320.736	1.473	50	20	DDGD	
CCCn1cc(C=NNC(=O)[C@H](C)Oc2ccc(F)cc2)nn1	872334285	SEICIYOXDTWNAE-NSHDSACASA-N	319.340	1.745	50	20	DDGD	
COCCc1ncc(C=NNC(=O)CNc2ccccc2)s1	872327939	MPHGQNCJEGEQEU-UHFFFAOYSA-N	318.402	1.894	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1ccccc1F)c1ccccn1	773706309	BSUUUJLTIGXGPK-UHFFFAOYSA-N	301.321	1.960	50	20	DDGD	
N#CCCCC(=O)NNC(=O)c1ccc(Br)cc1	1117691521	OHRDSHLWUAKWPY-UHFFFAOYSA-N	310.151	1.904	50	20	DDGD	
COc1cccc2c1OCCCC2=NNC(=O)c1cnn(C)c1	872352791	HDLATLHHVHCHBX-UHFFFAOYSA-N	314.345	1.735	50	20	DDGD	
COC(=O)Cn1cccc1C=NNC(=O)c1ccc(O)cc1	776183966	VDBCRGPHKVIULW-UHFFFAOYSA-N	301.302	1.131	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CCO[C@H](C)C2)cc1	770354196	VZKVFDHOOMOJPR-CHWSQXEVSA-N	321.377	1.272	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)[C@@H]1CCc2nnnn2CC1	885113631	HDXMZGTWUAZWOJ-MRVPVSSYSA-N	308.292	1.047	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)C1CCOCC1)c1ccccc1	883231923	WHEWRZPQETYBBM-CQSZACIVSA-N	305.378	1.895	50	20	DDGD	
Cc1nc2ccccc2cc1C(=O)NNC(=O)C1CCOCC1	883060421	LIQXSYMVCGVLAB-UHFFFAOYSA-N	313.357	1.731	50	20	DDGD	
Cc1nc(C(C)C)ncc1C(=O)NNC(=O)c1cccc(F)n1	880770762	XMIXNZWLQKMZTB-UHFFFAOYSA-N	317.324	1.517	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNc2ncc(F)cn2)ccc1C	775654741	HVRWLXOIZJIKDK-UHFFFAOYSA-N	319.296	1.859	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccc(F)cn1	784576223	MSWMODWBSXJOMK-UHFFFAOYSA-N	312.304	1.706	50	20	DDGD	
CCn1cc(CC(=O)NNC(=O)c2cc3ccccc3o2)cn1	780857335	XFBWGYUUJXPNAF-UHFFFAOYSA-N	312.329	1.653	50	20	DDGD	
O=C(COC/C=C/c1ccccc1)NNC(=O)C1CCOCC1	883066125	LDPJAILSMOJRSF-QPJJXVBHSA-N	318.373	1.290	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccccc1C(F)(F)F)C1CC1	899937617	QQDHRWUHRLLLEJ-SNVBAGLBSA-N	302.252	1.296	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1ccc(-n2cccc2)cc1	780712180	UKWWMSBZKDJOGK-UHFFFAOYSA-N	300.362	1.712	50	20	DDGD	
COC(=O)CCc1nc(COC(=O)/C(C#N)=C/C2CC2)no1	786667632	ABJRPCVWUGJGKZ-UXBLZVDNSA-N	305.290	1.078	50	20	DDGD	
CCc1csc(NC(=O)C(=O)NNc2cccc(F)c2)n1	789746609	NEANVHKQJLTKGQ-UHFFFAOYSA-N	308.338	1.926	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Cc1ccc(CC)cc1	788164890	WCOKRIRQNMNVTE-UHFFFAOYSA-N	322.405	1.728	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1c(Cl)cnn1C	780200880	NTOOPEMAPGQKIY-LLVKDONJSA-N	311.817	1.646	50	20	DDGD	
O=C(NNc1cccc2c1CCCC2)C1CN([C@@H]2CCOC2)C1	897151103	QIHOERUYVCNVQX-OAHLLOKOSA-N	315.417	1.729	50	20	DDGD	
CO[C@@H]1CCOC[C@H]1NC(=O)NNc1cccc(F)c1F	898097274	QXDMANFYUQAHIK-GHMZBOCLSA-N	301.293	1.395	50	20	DDGD	
CC(C)c1nccn1CC(=O)NNC(=O)CNc1ccccc1	895535845	ZTNWGIDCGFOINQ-UHFFFAOYSA-N	315.377	1.266	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)nc1	899664542	YOQJIPUZLXGJNW-ZDUSSCGKSA-N	313.361	1.045	50	20	DDGD	
COc1cc(C=NNC(=O)c2cccc(C)n2)cc2c1OCO2	794563882	ASOSNFTUXLMSGW-UHFFFAOYSA-N	313.313	1.891	50	20	DDGD	
COc1ccc([C@@H]2C[C@H]2NC(=O)NNC(=O)C2CCC2)cc1	793232157	KVEWWUWPVJUDIC-UONOGXRCSA-N	303.362	1.682	50	20	DDGD	
Cc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cccc(C)n2)cc1	794083263	GLSQKJKBUYFADT-ZDUSSCGKSA-N	313.357	1.927	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C(C)(OCC)OCC)cc1	790065396	MVXWYSRCWUEGER-UHFFFAOYSA-N	324.377	1.636	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)ccc1C	899138839	XSOFBKJYHMXITC-DDTOSNHZSA-N	302.330	1.450	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)C	791220503	IWBGHMVASKNVCV-LBPRGKRZSA-N	321.425	1.955	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)C[N+](C)(C)C)CN(Cc2ccccc2)C1	794454750	BDVUOGXHJKXRFM-OAHLLOKOSA-O	317.457	1.707	50	20	DDGD	
CNc1nc(C)cc(C(=O)NNc2ccccc2[N+](=O)[O-])n1	798168954	VUTFRIRKGPFBLV-UHFFFAOYSA-N	302.294	1.492	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C(C)c2ccnc(O)c2)c1	790290595	QPOJWGIWSBLLNO-UHFFFAOYSA-N	315.329	1.958	50	20	DDGD	
CC1=C(C(=O)NNc2cccc(C#N)c2)[C@H](C)n2ncnc2N1C	798981325	GZBLXDQXNVTCQK-NSHDSACASA-N	323.360	1.578	50	20	DDGD	
O=C(NCCc1ccc2[nH]ccc2c1)NNC(=O)c1ccc[nH]1	799716530	TXSXNWOUYYVTDE-UHFFFAOYSA-N	311.345	1.683	50	20	DDGD	
C[C@H](C(=O)NNC(=O)NCC(F)(F)F)N1CCCCCC1	798313244	DEHPULUQCSVAPX-SECBINFHSA-N	310.320	1.144	50	20	DDGD	
CC[C@@H](NC(=O)CCl)c1ccccc1OCC(=O)N(C)C	1319682518	LVOKRPSCLORYFH-GFCCVEGCSA-N	312.797	1.960	50	20	DDGD	
C[C@H](Oc1ccccc1)C(=O)NNc1nncc(N)c1Cl	1319307429	DBKQSCVRNBSITN-QMMMGPOBSA-N	307.741	1.623	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)c2ccc3c(c2)OCO3)[nH]1	1322558464	YHTQBGAFCLMUEK-UHFFFAOYSA-N	301.302	1.435	50	20	DDGD	
COC(=O)C(=O)NN=C1CCc2cc(Br)ccc21	1324473005	AGVXMAKSVAAZQK-UHFFFAOYSA-N	311.135	1.389	50	20	DDGD	
O=C(NNc1cccnn1)C(=O)Nc1cccc(OC(F)F)c1	1320601469	VXKAZUGRPZPSBO-UHFFFAOYSA-N	323.259	1.160	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC[C@H]2CCCCO2)cc1	1323595520	MFVGCUPEPVMJSA-CQSZACIVSA-N	321.377	1.598	50	20	DDGD	
Cc1nn(CCO)c(C)c1C=NNC(=O)Cc1ccccc1F	1251721191	ROSIGEPZYQXSJO-UHFFFAOYSA-N	318.352	1.324	50	20	DDGD	
O=C(/C=C/C1CCOCC1)NNC(=O)c1n[nH]c2c1CCCC2	1338943988	UGKBDKHKNSSSAS-AATRIKPKSA-N	318.377	1.032	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2CCCC[C@@H]2N(C)C)nc1	1255372446	SUPYNCQDCPJVRV-OLZOCXBDSA-N	307.398	1.589	50	20	DDGD	
CC(C)CCCNC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1334674415	WPZYLSKCBSUDIR-GXFFZTMASA-N	319.243	1.829	50	20	DDGD	
COc1cc(C)c(C(C)=NNC(=O)c2cccnn2)cc1OC	1349828362	HLTGJKIAUQUWIJ-UHFFFAOYSA-N	314.345	1.956	50	20	DDGD	
CCNC(=O)N1CC[C@H](NC(=O)C2CCC(Cl)CC2)C1	1346680833	BCTSKHNJOHJFJZ-MCIGGMRASA-N	301.818	1.704	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)N2C3CCC2CC3)C[C@H]1Br	1351190561	IADICJOEKSLOKV-URSNIEJTSA-N	315.211	1.430	50	20	DDGD	
CC(C)NS(=O)(=O)CCNC(=O)c1cccc(CCl)c1	1357846376	DCOLYHABXBTGGA-UHFFFAOYSA-N	318.826	1.483	50	20	DDGD	
Cc1noc(Cl)c1CC(=O)NNC(=S)NC(C)(C)C	1353876831	RLGDELZCYNMTJV-UHFFFAOYSA-N	304.803	1.473	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@@H](C)[C@H]1CN(C)CCN1C	1528122361	MEGXTXDUCLLTQO-SWLSCSKDSA-N	323.416	1.395	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H](C)c1ncc(C(=O)O)s1	1603761196	GZSHNCFTDYMPTB-SSDOTTSWSA-N	314.367	1.279	50	20	DDGD	
Cc1nc(N)nc(C)c1C(=O)NNc1cccc(C(=O)O)c1C	1607960527	KFKBHMZAMOCRDC-UHFFFAOYSA-N	315.333	1.439	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cccc3c2C(=O)CC3)nc1	1602383136	UJWWNUKQQYQFQL-UHFFFAOYSA-N	311.297	1.666	50	20	DDGD	
O=C(O)[C@H](NS(=O)(=O)CCl)c1ccc(Cl)c(F)c1	1608552140	CIDALEVRLZTWDP-MRVPVSSYSA-N	316.137	1.721	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2cnn3c2NCCC3)cc1	1602128576	OUIFVTCXVDJKAG-UHFFFAOYSA-N	315.333	1.083	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)cc1F	1602383414	JJLSUWKXBOANFU-GMOODISLSA-N	324.308	1.019	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)NCC[C@H]2CCCOC2)cc1	1608780901	JFNZMAXPXOIVHK-CYBMUJFWSA-N	321.377	1.757	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cccc(F)c1-c1nn[nH]n1	1605948068	NQTDFAGJEHIAKM-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1cccc(OC2CCCC2)c1	1602071929	BTQMRHFNKGJEPV-UHFFFAOYSA-N	305.334	1.726	50	20	DDGD	
C[C@H]1COCC[C@H]1NC(=O)NNc1ccc(CC(=O)O)cc1	1604818842	LNRGUQPIRJZFNY-GXFFZTMASA-N	307.350	1.365	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cncc(C(=O)O)c1	1600305439	YTKGYDRYWJGFRO-UHFFFAOYSA-N	316.273	1.753	50	20	DDGD	
Cc1ccc(NNC(=O)Cn2ccc(C(=O)O)n2)c(Cl)c1	1607810172	SRTHSQACVOYVIQ-UHFFFAOYSA-N	308.725	1.686	50	20	DDGD	
Cc1oc(CNC(=O)NNC(=O)CC(C)(C)C)cc1C(=O)O	1600851224	IJNBFXDTSOAEIG-UHFFFAOYSA-N	311.338	1.553	50	20	DDGD	
CCCn1nccc1C(=O)NNc1ccc(F)c(C(=O)O)c1	1605390570	IAKGLRVEHBHDLI-UHFFFAOYSA-N	306.297	1.887	50	20	DDGD	
Cc1ccc(NNC(=O)/C=C2/SCC(=O)N2C)cc1C(=O)O	1607809727	AUMINSRAAUPSFG-AWNIVKPZSA-N	321.358	1.183	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)C(=O)NNc1cccc(C(=O)O)c1	1609750273	OIOQECMBNBYSIL-SNVBAGLBSA-N	302.334	1.440	50	20	DDGD	
O=C(O)[C@@H]1CCC[C@@H](C(=O)NNc2cnc3ccccc3n2)C1	1610741092	NIBHZPOBTWIYIJ-GHMZBOCLSA-N	314.345	1.964	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1c[nH]c(C#N)c1	1610287905	RRXFWIGPTAQIEM-UHFFFAOYSA-N	300.274	1.350	50	20	DDGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)[C@H]1COCCN1	1574334038	KESZAYOUPSNVBI-SECBINFHSA-N	308.140	1.564	50	20	DDGD	
C=C(Cl)C[C@H](N)C(=O)NNC(=O)c1ccc(Cl)cc1O	1574856690	FBSIVCGUDTWCOS-VIFPVBQESA-N	318.160	1.277	50	20	DDGD	
CCc1ccc(NNC(=O)[C@@H]2CCCN(CC(=O)O)C2=O)cc1	1573956340	BHLAAOCDSTTYQT-ZDUSSCGKSA-N	319.361	1.015	50	20	DDGD	
Cc1cc(Br)cnc1NNC(=O)[C@@H]1CSCN1	1579552600	GUZGWBOEMQYMRR-QMMMGPOBSA-N	317.212	1.258	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cncnc1)C2	1845164123	MCVNCIZHFBVFLH-LBPRGKRZSA-N	322.796	1.311	50	20	DDGD	
NCc1ccccc1C(=O)NNc1ncc(Br)cn1	1580344363	YDWPOJHJMFVVLW-UHFFFAOYSA-N	322.166	1.455	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)c1cn(C2CCNCC2)nn1	1580737127	LELFOTGVMFHOBO-UHFFFAOYSA-N	322.319	1.238	50	20	DDGD	
C[C@@](CNC(=O)NNc1cccnn1)(C(=O)O)c1ccccc1	1589056491	OPOYUMCGDIJCFG-HNNXBMFYSA-N	315.333	1.145	50	20	DDGD	
CC(=O)c1cncc(C(=O)NNc2cccc(F)c2C(=O)O)c1	1589318782	SMEVELICLATPQP-UHFFFAOYSA-N	317.276	1.878	50	20	DDGD	
O=C(C#Cc1cccs1)NNc1cccc(-c2nn[nH]n2)c1	1581912207	BHZLWUIZWBCWPF-UHFFFAOYSA-N	310.342	1.423	50	20	DDGD	
O=C(NN=CCC1CCOCC1)c1cccc(-c2nn[nH]n2)c1	1593155591	SFPBIMDJKDWGDO-UHFFFAOYSA-N	314.349	1.399	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)cc1	1593635245	IWDPNSUKYSZXOQ-OLZOCXBDSA-N	304.346	1.511	50	20	DDGD	
COc1cc(C(=O)NNc2ccc(C(=O)O)cc2F)sn1	1599355464	VKVOMVULXLSLTB-UHFFFAOYSA-N	311.294	1.746	50	20	DDGD	
CNC(=O)/C(C#N)=C\c1ccc(F)c(-c2nn[nH]n2)c1Cl	1591198013	DJZMSPBRAJNNTM-DAXSKMNVSA-N	306.688	1.312	50	20	DDGD	
CCn1ccnc1CNC(=O)NNc1ccc(C(=O)O)c(F)c1	1597917001	YHWMFDYMMBXSEE-UHFFFAOYSA-N	321.312	1.567	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2CCC[C@H]2CC(=O)O)C[C@H]1Br	1593755485	RQRRLHRDUMDLDL-HAYRHPOISA-N	304.184	1.920	50	20	DDGD	
Cc1cccc2c1NC(=O)C2=NNC(=O)c1cccc(C(=O)O)c1	1776094964	WTUYARXBCMHZJC-UHFFFAOYSA-N	323.308	1.779	50	20	DDGD	
CCc1ccccc1C(=O)NNC(=O)COc1ccc(C#N)cc1	152834945	PRBCEKHLTMCWJC-UHFFFAOYSA-N	323.352	1.961	50	20	DDGD	
Cc1cc(-n2c(C)cc(C(=O)NNc3cnccn3)c2C)no1	157141230	JALSVJBSTCBDNF-UHFFFAOYSA-N	312.333	1.937	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc2nncn2c1	156177748	XDWFACOEUSUYAH-UHFFFAOYSA-N	314.257	1.865	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccc(Cl)c(F)c1	153988395	ZTZNOTMEEBEWQD-UHFFFAOYSA-N	313.638	1.985	50	20	DDGD	
CN1C(=O)CCc2cc(C(=O)NNC(=O)C(C)(C)C)ccc21	154228684	XFQGMMBGROHGBO-UHFFFAOYSA-N	303.362	1.403	50	20	DDGD	
Cc1ccnc2nc(C(=O)NNc3c(F)cccc3F)nn12	156527460	MMOYXTQHWBDXEK-UHFFFAOYSA-N	304.260	1.468	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(OCC(F)F)ccn2)nc1	159348555	ULNJQXKTWHIZEE-UHFFFAOYSA-N	324.287	1.886	50	20	DDGD	
CC(C)[C@@H](C(=O)N(C)NC(=O)OCc1ccccc1)N(C)C	862287926	ZQSVFSZJAUUSLP-AWEZNQCLSA-N	307.394	1.872	50	20	DDGD	
CCN1CCC[C@@H](CN(C)C(=O)CCl)[C@@H]1c1cnn(C)c1	1887532547	DYLZLMRKRQNDAH-SWLSCSKDSA-N	312.845	1.890	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1cccc(F)c1	6310485	FKSMEAAQSXLABG-CQSZACIVSA-N	316.288	1.427	50	20	DDGD	
Cc1ccc(Cl)c(OCC(=O)NNC(=O)c2ccc[nH]2)c1	6991223	VBZWAZYIWZCPIU-UHFFFAOYSA-N	307.737	1.817	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cccc(F)c2F)c1	103401282	WDDKDDDVTAZCSA-UHFFFAOYSA-N	301.252	1.911	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCC2)NNc1ncnc2nc[nH]c12	173931066	AOHRBGUBZSZXTP-UHFFFAOYSA-N	308.345	1.527	50	20	DDGD	
C=CCCCC(=O)NNC(=O)COc1ccccc1OCC	175083591	XFIRGSUSWSQPLV-UHFFFAOYSA-N	306.362	1.968	50	20	DDGD	
CN1CCC[C@@H](CNC(=O)NNC(=O)Cc2ccc(F)cc2)C1	108589691	YMMPBYHYWHSUFO-ZDUSSCGKSA-N	322.384	1.040	50	20	DDGD	
CCc1ccc(CC(=O)NNC(=O)NCC(F)(F)F)cc1	173372975	IXYQUESOFSXVGI-UHFFFAOYSA-N	303.284	1.684	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H]1CCCOC1	171287791	GIHVDIWIEPZAHI-ZDUSSCGKSA-N	306.362	1.202	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(Br)o1	109859351	JXWCWNLEKUMOHZ-UHFFFAOYSA-N	313.111	1.148	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@H]1CCn2ccnc2C1	178838536	HVWULNPRCLZXNL-JTQLQIEISA-N	301.306	1.497	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)c1ccccc1)CN1CCCCC1	57044038	IEMVEIVJCYTPFY-CQSZACIVSA-N	318.421	1.753	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1Cl	112884684	LGAWSUDXIQTHHP-MRVPVSSYSA-N	317.748	1.985	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2C[C@@H]2C2CC2)cc1	176882681	GUAPYSDXWNTPIS-HUUCEWRRSA-N	302.374	1.821	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc2c(c1)CCC(=O)N2	103199134	SIFXEVQGWKHJCX-UHFFFAOYSA-N	303.362	1.769	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	10160689	XZQIOFXGDDTOSJ-UHFFFAOYSA-N	323.305	1.173	50	20	DDGD	
C[C@H]1CCC[C@@H](C)CN1C(=O)NNC(=O)Cc1cccnc1	176393465	IOCFPBFIRJGVSJ-OLZOCXBDSA-N	304.394	1.875	50	20	DDGD	
CN(Cc1ccccc1)C(=O)CNC(=O)NNc1ccccc1	114937999	QZZXSMRYMQHPIG-UHFFFAOYSA-N	312.373	1.971	50	20	DDGD	
Cc1nn(-c2ccccc2)c(C)c1C(=O)NNC(=O)NC1CC1	64900879	JCWYHPJEMRIEPX-UHFFFAOYSA-N	313.361	1.596	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)COCC(F)(F)F	61475926	ZXDYEYGXWHFIPI-UHFFFAOYSA-N	320.267	1.182	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)CNc1ccc(OC)cc1	66898721	ZLERJCXKTVVRET-GFCCVEGCSA-N	321.377	1.236	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCCOCc2ccccc2)cn1	117679783	YAOCDGRIDOXEDV-UHFFFAOYSA-N	316.361	1.178	50	20	DDGD	
CCC(=O)Nc1cccc(C(=O)NNC(=O)c2cccn2C)c1	120530254	DASSPWIHIZPIQF-UHFFFAOYSA-N	314.345	1.448	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)COCc2ccccc2)o1	176809921	UTVAZBRJHDAUCC-UHFFFAOYSA-N	302.330	1.874	50	20	DDGD	
Cc1ncsc1/C=C/C(=O)NNC(=O)NCc1ccco1	187456984	JEKLQPXYQGPIJA-SNAWJCMRSA-N	306.347	1.588	50	20	DDGD	
COCCCCC(=O)NNC(=O)COc1cc(C)cc(C)c1	122133386	JTOPHCZORWSMII-UHFFFAOYSA-N	308.378	1.646	50	20	DDGD	
NC(=O)NC[C@H]1CCCN(C(=O)c2cccc(CCl)c2)C1	37833412	SSFYWFRNIRBIJC-GFCCVEGCSA-N	309.797	1.946	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1cnn(-c2ccccc2)c1	186014067	CWSVHQPGXCBKDW-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
C[C@@H]1CCCN(CCCCNC(=O)NNc2cccnn2)C1	77348019	QCZSUGPSZCWCNO-CYBMUJFWSA-N	306.414	1.615	50	20	DDGD	
Cc1cc(OCC(=O)NNC(=O)CN(C)C)cc(C)c1Cl	120057235	MNAJOTZTIPGGNA-UHFFFAOYSA-N	313.785	1.045	50	20	DDGD	
CC1(C(=O)NNC(=O)C(=O)Nc2ccccn2)CCCCCC1	182151661	VLVNSNZWSZOIJK-UHFFFAOYSA-N	318.377	1.528	50	20	DDGD	
Cc1cccc([C@@H]2CCCN2CC(=O)NNC(=O)C2CC2)c1C	122258336	DGHJWUQZLXTMRC-INIZCTEOSA-N	315.417	1.998	50	20	DDGD	
CO[C@]1(C)C[C@H](NC(=O)NNC(=O)c2ccccc2F)C1(C)C	74943763	HAEMGXJYPLXHDF-BLLLJJGKSA-N	323.368	1.973	50	20	DDGD	
Cc1sc2ncc(C(=O)NNc3ccncc3)c(=O)n2c1C	180522736	QRTWCTHMDDMUST-UHFFFAOYSA-N	315.358	1.525	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCC2)c1ccc2ccccc2n1	131582111	PVGPWFPQFRDKSQ-UHFFFAOYSA-N	321.340	1.521	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)Nc2ccon2)c1	183630287	VGRGCAAOWQNPRW-UHFFFAOYSA-N	304.306	1.523	50	20	DDGD	
CC(C)N(CCNC(=O)NNC(=O)OC(C)(C)C)C(C)C	43064462	ADJHIPHMYPNTNO-UHFFFAOYSA-N	302.419	1.844	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O	138938066	UXURBABHJVYZNX-FOSCPWQOSA-N	319.361	1.505	50	20	DDGD	
O=C(NNc1ncccn1)[C@H]1CCCN1Cc1ccc(F)cc1	81526553	BNSYKNWVFXNYPD-CQSZACIVSA-N	315.352	1.723	50	20	DDGD	
C[C@@H](Oc1ccccc1Cl)C(=O)NNC(=O)c1ccncc1	192985908	DAEUSDGRAWYJAY-SNVBAGLBSA-N	319.748	1.964	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)C1CCN(C2CC2)CC1	194790339	SIBQBUMTEPUFPB-UHFFFAOYSA-N	304.350	1.912	50	20	DDGD	
CC(C)C[C@@H](CCO)CNC(=O)NNC(=O)CC(C)(C)C	85415154	CAPBVMZMTXDDAD-GFCCVEGCSA-N	301.431	1.798	50	20	DDGD	
Nc1ccc(C(=O)NNC(=O)NC2CCCCC2)cc1[N+](=O)[O-]	192748485	WXJLCQPZTXLXHI-UHFFFAOYSA-N	321.337	1.454	50	20	DDGD	
CC(=O)[C@@H]1CC(C(=O)NNc2ncccn2)=NN1c1ccccc1	130319344	YQTHCRFFZJIPEM-AWEZNQCLSA-N	324.344	1.144	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)NC[C@H]2C[C@@H]2C)cc1OC	47099072	NOEGPMDFEOFENF-CMPLNLGQSA-N	321.377	1.694	50	20	DDGD	
COC[C@H]1CN(C(=O)c2c(C)nn(CCCl)c2C)CCO1	81453317	AMSWSMHKYLSKLX-GFCCVEGCSA-N	315.801	1.226	50	20	DDGD	
O=C(C[C@H]1CCCOC1)NNC(=O)c1cccc2ncccc12	193182442	YXLYIMATLONPPV-GFCCVEGCSA-N	313.357	1.813	50	20	DDGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)c1nnnn1C1CC1	194899207	SEFDMXHFDQTXDJ-UVIKPUKZSA-N	324.344	1.498	50	20	DDGD	
O=C(NNC(=O)c1cccc(OCC(F)F)n1)c1cccnc1	89599586	LOYAEEKPHKINTB-UHFFFAOYSA-N	322.271	1.195	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Nn2cnc3ccccc32)cc1	192607852	VIADRJLAGNTUAU-UHFFFAOYSA-N	320.312	1.506	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ncccc1C(F)(F)F	191930456	SMYTXMWLWXIXQD-UHFFFAOYSA-N	322.250	1.900	50	20	DDGD	
CCC1CC(=O)C(=CNNC(=O)c2ccc(C#N)cc2)C(=O)C1	195291442	LEZNIFWLALLJDJ-UHFFFAOYSA-N	311.341	1.635	50	20	DDGD	
COc1cccc(CO[C@@H](C)C(=O)NNC(=O)c2ccc[nH]2)c1	97298328	WLVCOCXQROSGQU-NSHDSACASA-N	317.345	1.390	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)Nc1cccc(OC)c1	265823097	BDKSWRMQUDCAMI-UHFFFAOYSA-N	322.365	1.153	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2c(C)cc(C)nc2O)n1	266879811	BWXCCGZDNOSMSO-UHFFFAOYSA-N	303.322	1.268	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2ccn(C(C)C)n2)n1	268666542	ZHRXNJOBGRMSQY-UHFFFAOYSA-N	317.397	1.857	50	20	DDGD	
O=C(NNC(=O)c1cc2c(nc1O)CCCC2)NC1CCCC1	264572872	DOLPALSNTYRMDN-UHFFFAOYSA-N	318.377	1.553	50	20	DDGD	
COC(=O)CCc1csc(NC(=O)NNc2ncccn2)n1	274866475	VSPFYSHREKAYEE-UHFFFAOYSA-N	322.350	1.187	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCc2c(C)n[nH]c2C)c1	272833848	PFPVSKJXSUTEGW-UHFFFAOYSA-N	316.361	1.889	50	20	DDGD	
CN1CCc2ccc(NC(=O)NNC(=O)C3CCC3)cc2C1=O	272854617	QZPDCJLZBQFBDO-UHFFFAOYSA-N	316.361	1.268	50	20	DDGD	
CCOC(=O)c1cc(NC(=O)NNC(=O)C(C)(C)C)cn1C	271412653	NXNDDODJHAWUEF-UHFFFAOYSA-N	310.354	1.401	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNC(=O)C2CCC2)cc1OC	272693125	GLUKGQVFVDFPDT-NSHDSACASA-N	320.389	1.830	50	20	DDGD	
C[C@H]1CN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CC[S@@](=O)C1	277563300	NLNQEBZZUKOURJ-PVVNQYPPSA-N	320.389	1.960	50	20	DDGD	
CN(C)CC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1	278809430	ZERYBTUBCDXPER-HTQZYQBOSA-N	301.799	1.214	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Nc2cccc3c2CCCC3)cn1	273439915	QYAIRTIICSVPIX-UHFFFAOYSA-N	313.361	1.765	50	20	DDGD	
CCCCC(=O)N1CSC[C@@H]1C(=O)N1CC=C(C#N)CC1	272684274	OOAKUVIJBRFZLH-CYBMUJFWSA-N	307.419	1.760	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@]2(C)CCCOC2)cc1	272641057	CNVPRBJDRWSFOK-MRXNPFEDSA-N	321.377	1.071	50	20	DDGD	
COc1cccc(CNS(=O)(=O)CBr)c1O	272869964	ZIXWMMXMDZSDQC-UHFFFAOYSA-N	310.169	1.173	50	20	DDGD	
N#CC1=CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1	272600199	HAGRGTCXAWPOEZ-UHFFFAOYSA-N	301.371	1.488	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNc2nc(-c3ccncc3)no2)CCO1	271895751	VCKXAXULSGWUED-GXSJLCMTSA-N	303.322	1.390	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(C)c1ccc(OCC(=O)OC)cc1	273321622	XDSHRPLYJUEZDW-ZRDIBKRKSA-N	318.329	1.645	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNc1cccc(C(=O)OC)c1	273642507	VHOYYMDVONOPCN-UHFFFAOYSA-N	314.345	1.891	50	20	DDGD	
COC(=O)c1ccc(F)cc1S(=O)(=O)N1CC=C(C#N)CC1	273705294	OQUBLIDLKDWUJC-UHFFFAOYSA-N	324.333	1.457	50	20	DDGD	
COCCN(C)NC(=O)c1ccnc(OCC(F)(F)F)c1	288678811	ZSQJIZCLLIRYPM-UHFFFAOYSA-N	307.272	1.246	50	20	DDGD	
CNC(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)cc1C	282137858	DFZDSWJKSRVDRQ-UHFFFAOYSA-N	311.285	1.136	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1CC(=O)N(CCOC)C1	281883683	XMCKSPQTXRFTPA-CQSZACIVSA-N	319.405	1.495	50	20	DDGD	
COc1cc(C)c(Br)cc1C(=O)NNC(C)=O	286063668	JFZOFAGJKSGTIY-UHFFFAOYSA-N	301.140	1.547	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNC(=O)c1cc2ccccc2o1	289752810	MNHHEFWXABYPDZ-SNVBAGLBSA-N	318.329	1.783	50	20	DDGD	
COCCN(C)NC(=O)CCCOc1ccc(F)cc1F	288347544	GBHQYBQPAFSLHW-UHFFFAOYSA-N	302.321	1.733	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(OCC(=O)O)cc1	298602945	HFDXABOFBLNXIH-NUBYWOLOSA-N	318.329	1.208	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCc1ccc([N+](=O)[O-])cc1	299114713	RJFHYPDPPBGAIR-UHFFFAOYSA-N	308.338	1.514	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(N2CCCCCC2)cc1	801776366	QWOHEZFPLMXBET-UHFFFAOYSA-N	320.393	1.866	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccnc(NC(=O)C(C)C)c1	293135485	SATZNLHNGLYGSX-UHFFFAOYSA-N	306.366	1.483	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C(=O)OC)c1ccc(OC)cc1	295646386	CCEYGZURNANSCJ-WONIAPNHSA-N	318.329	1.469	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(CCCNC(=O)NNc2ncncc2F)C1	293131842	ZAUFIZUIKSXANX-TXEJJXNPSA-N	324.404	1.610	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)C(C)(C)c2cccc(F)c2)O1	293943975	PKXVFGWAIKWGRL-GWCFXTLKSA-N	308.353	1.818	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNc1cccc(Cl)n1	293716369	PATJVMAAMHLFAX-SNVBAGLBSA-N	310.785	1.969	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@]2(C#N)CC23CCCC3)c(O)c1	294982340	YFKSSDLGINFKCZ-KRWDZBQOSA-N	313.357	1.936	50	20	DDGD	
Cc1cc(C)cc(OCCC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	294279132	PRAJBBGQHSESQM-ZFWWWQNUSA-N	320.389	1.787	50	20	DDGD	
COCCO[C@@H]1CCCN(C(=O)NNC(=O)c2ccccc2)C1	800987538	YUOARGVQXPEKIR-CQSZACIVSA-N	321.377	1.168	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCCn1cnc(C#N)n1	807513879	XYFPTQSMIBUCLC-UHFFFAOYSA-N	313.365	1.347	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1cn2ccccc2n1	803426789	BVESMEJCOJIEEP-UHFFFAOYSA-N	319.324	1.933	50	20	DDGD	
O=C(Cc1n[nH]c2c1CCCC2)NNc1ccc(Cl)nn1	806881683	IDQBMYXQASGNKR-UHFFFAOYSA-N	306.757	1.418	50	20	DDGD	
CC(C)[C@H](O)C(=O)NNC(=O)c1cccc(Br)c1	291725455	BRXDFFCXEPSGLB-JTQLQIEISA-N	315.167	1.227	50	20	DDGD	
COCCN(C)NC(=O)C1(OCc2ccccc2)CCOCC1	294602410	ZZQQNXWPSASFBA-UHFFFAOYSA-N	322.405	1.362	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)CCc2ccccc2O)cn1	806806003	FMFWCRBQHXHYDT-UHFFFAOYSA-N	314.345	1.223	50	20	DDGD	
NS(=O)(=O)c1cc(C=NNC(=O)c2ccccc2)ccc1F	807943028	GYVBTYPXWFLVLE-UHFFFAOYSA-N	321.333	1.237	50	20	DDGD	
CC(=NNC(=O)c1ccccn1)c1cnnn1-c1ccccc1	807942149	KAUDMLZRUHSSIM-UHFFFAOYSA-N	306.329	1.816	50	20	DDGD	
Cn1ccnc1SCc1ccc(C(=O)NNc2nc[nH]n2)o1	816634500	KNFWZZCUXIIYGT-UHFFFAOYSA-N	319.350	1.180	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)[C@H]1CCCN1c1ncccn1	817008118	FPAYXHFFPILHFF-SNVBAGLBSA-N	318.768	1.637	50	20	DDGD	
CN(NC(=O)CCN1CCN(c2ccccc2)CC1)C1CC1	819647149	KPYPNYUCGRKRPK-UHFFFAOYSA-N	302.422	1.324	50	20	DDGD	
CCC[C@@H](C)C(=O)NCCNC(=O)NNC(=O)CC(C)(C)C	814435241	YOAHEEWFNVFPPJ-LLVKDONJSA-N	314.430	1.305	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=Cc2cnn(CC(F)F)c2)c1	814214349	BYAFMIRDBSBDOA-UHFFFAOYSA-N	321.331	1.978	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=C1CCC(C(=O)O)CC1	814742729	CTUCIFSTZHMMFH-UHFFFAOYSA-N	315.329	1.684	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1COc2cc(F)cc(F)c21	814758084	ZVWSPLIGQDHXEG-UHFFFAOYSA-N	311.332	1.909	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cscc1C(F)(F)F	811647636	UZEWWRRQBUPTLP-UHFFFAOYSA-N	309.269	1.573	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C)cc1)c1csc(N)n1	812432240	XLFMVQUCAGZRCX-UHFFFAOYSA-N	304.375	1.953	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=C1CCN(C2CCCCC2)CC1	814955784	XTPNVOMISKEGDL-UHFFFAOYSA-N	303.410	1.853	50	20	DDGD	
CCC[C@H](C)C(=O)NCCNC(=O)NNc1ccc(F)cn1	814433949	UOESMXQOZVTHPG-JTQLQIEISA-N	311.361	1.399	50	20	DDGD	
CN(C)CC(=O)NN=C1CCc2cccc(Br)c2C1	814832260	KVXFXBKDUWTEDB-UHFFFAOYSA-N	324.222	1.972	50	20	DDGD	
CC(C)(C=NNC(=O)CC1CC1)N1C(=O)c2ccccc2C1=O	814990125	CBMMFEVDMIWQIZ-UHFFFAOYSA-N	313.357	1.963	50	20	DDGD	
COCc1ccccc1/C=C(/C)C=NNC(=O)C(=O)NC(C)C	814216938	JKCCTUADVDPVPV-FPVBTWCSSA-N	317.389	1.863	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2cccc(Cl)n2)cc1	815728732	QVTIOJWJICSDQT-UHFFFAOYSA-N	315.720	1.688	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@](C)(O)C2CCC2)cc1	813575283	QIQJWAFUXDZQCL-MRXNPFEDSA-N	320.393	1.456	50	20	DDGD	
Cc1ccc(NC(=O)NNc2ncncc2F)cc1C(N)=O	814630619	MSQHZXAOZAWXEL-UHFFFAOYSA-N	304.285	1.172	50	20	DDGD	
CN(NC(=O)[C@H]1CCC[C@@H](C(=O)NN(C)C2CC2)C1)C1CC1	819646267	QGQLUAIMUMRFCI-TXEJJXNPSA-N	308.426	1.044	50	20	DDGD	
Cc1cc[nH]c1C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	812728950	GHNVVZBFCHXBRZ-UHFFFAOYSA-N	322.390	1.330	50	20	DDGD	
O=C(NNc1ncccn1)C1CCC(OC[C@@H]2CCCO2)CC1	814926899	OWKILBVSHSSIKB-RUXDESIVSA-N	320.393	1.674	50	20	DDGD	
CC(=O)N/C(=C/c1cccs1)C(=O)NNC(=O)C(C)(C)C	817519792	SPVGCQUZZQNDNC-DHZHZOJOSA-N	309.391	1.419	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@@](C)(C(=O)O)C1	823841521	FYPBAOLWMIRQND-CQSZACIVSA-N	313.785	1.676	50	20	DDGD	
CN(CC(=O)NNC(=O)COCc1ccccc1)CC(C)(C)C	820152170	PNPDYSGVGAESLS-UHFFFAOYSA-N	321.421	1.329	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)C2CCCC2)cc1O	492299053	YJTSKBRHAPPDPB-VQHVLOKHSA-N	304.346	1.752	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@H](c1ccccc1)N1CCSCC1	823964724	DVTMJGAWORJSGR-DZGCQCFKSA-N	323.462	1.120	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC1CC1)N(C)C(=O)OC(C)(C)C	823768047	NJUZTSXTOJJYJE-SNVBAGLBSA-N	314.386	1.125	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=S)NCCc1cccs1	820171044	CKTWKVWBXHFKQH-UHFFFAOYSA-N	309.460	1.835	50	20	DDGD	
C=CCNC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1ccc(OC)cc1	728881795	QAHRRWMTQFGCFX-GVIGZQTCSA-N	314.341	1.836	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1cnc(C2CC2)s1	729511542	LPYWMXKHJVQQOH-UHFFFAOYSA-N	303.343	1.801	50	20	DDGD	
COC(=O)[C@@H](CNC(=O)/C(C#N)=C\c1cnn(C)c1)CC(C)C	491176470	PUMKKVULHAKBAC-CNTYAEFGSA-N	318.377	1.279	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@]1(C)CCNC1=O	823610338	MDGSENDJWOFWQN-ZDUSSCGKSA-N	311.773	1.223	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)OC[C@@H]2CNC(=O)O2)cc1	495715372	HIFRRNAWBWHGLZ-VKUYVZBCSA-N	302.286	1.254	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc2[nH]ccc2n1	905342678	KTUPSBIXCWYDTQ-UHFFFAOYSA-N	321.406	1.051	50	20	DDGD	
CN(C(=O)OC(C)(C)C)C(C)(C)C=NNC(=O)c1ncccn1	496262224	HRPDNJBTWZQEQF-UHFFFAOYSA-N	321.381	1.838	50	20	DDGD	
CCOC(=O)C[C@H](NC(=O)NNc1ccccn1)C(F)(F)F	824768583	KDBTWWIZPMKLMI-QMMMGPOBSA-N	320.271	1.592	50	20	DDGD	
Cc1cc(C(=O)NN(C)[C@@H](C)CO)ccc1NC(=O)CC(C)C	823952614	SAFDMMJNMDNYCR-ZDUSSCGKSA-N	321.421	1.937	50	20	DDGD	
Cn1ccc(/C=C(\C#N)C(=O)NCc2ccc(F)c(F)c2)n1	490664948	WKODBCNXUJHRBJ-YRNVUSSQSA-N	302.284	1.922	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC1CCN(C(=O)c2ccoc2)CC1	490781738	CUXAKXTVPHIIRL-QBFSEMIESA-N	317.345	1.444	50	20	DDGD	
COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)nn1	737946640	FVYNEZQMKWTHPA-UHFFFAOYSA-N	319.229	1.311	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCc1nc(C(=O)O)co1	909887117	LDLZMZMNMTWUGN-QMMMGPOBSA-N	319.155	1.799	50	20	DDGD	
CC(=NNC(=O)C1CCOCC1)c1ccc(C(=O)O)cc1C	905497893	OYAVBJGPVSGDKX-UHFFFAOYSA-N	304.346	1.960	50	20	DDGD	
C=CCNC(=O)CNC(=O)/C(C#N)=C\c1ccc(OCC)cc1	490814659	WRMROAWAHLCHHR-UVTDQMKNSA-N	313.357	1.411	50	20	DDGD	
O=C(/C=C/[C@@H]1CCOC1)NNc1ncc(Br)cn1	493633275	XBJIBZYADGRNET-FHKCNRDCSA-N	313.155	1.275	50	20	DDGD	
CCOC(=O)[C@H]1CCCN(C(=O)/C(C#N)=C/c2cnn(C)c2)C1	491157800	AONSSVUWKZFSDV-PZMUVPOTSA-N	316.361	1.129	50	20	DDGD	
CCn1cc([C@H](C)N[C@H](C)C(=O)NNC(=O)CC(C)C)cn1	832313314	HZIMIVLOZJAFSE-NWDGAFQWSA-N	309.414	1.136	50	20	DDGD	
CCC(C)(C)OCC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	837604148	MLCGJOJJSYTDIA-UHFFFAOYSA-N	323.349	1.773	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1c[nH]nc1-c1ccncc1	735688995	FYXFOWNTLKBKSO-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)CCCCl	739561095	VUXUFIYMAOWXOJ-AXFHLTTASA-N	309.815	1.663	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C1CN(C(=O)C2CCCCC2)C1	836298617	VLSLWXUQDYQDQX-UHFFFAOYSA-N	309.410	1.219	50	20	DDGD	
CC(C)c1scnc1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	831817893	BTSBJZNVZTYGLY-DTWKUNHWSA-N	312.395	1.844	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@@]1(CC(=O)O)CCOC1	909698553	LRLCDTOYOZOPNU-BXKDBHETSA-N	322.199	1.546	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1csc(C(C)(C)C)n1	732084179	PNZBSPBSLFFSPC-UHFFFAOYSA-N	307.379	1.547	50	20	DDGD	
OB(O)c1ccc(CN[C@H](CN2CCCC2)c2ccccc2)cc1	585016385	MREJBAWTBFNNMF-LJQANCHMSA-N	324.233	1.293	50	20	DDGD	
O=C(CCN1C(=O)CCC1=O)NNc1nccc2sccc12	734248665	ZBRGEHSBESTYFM-UHFFFAOYSA-N	318.358	1.279	50	20	DDGD	
C[C@H](CNC(=O)[C@@]1(C)C[C@H]1Br)c1nncn1C	907640925	PJMKKRQUDFZOPV-XLDPMVHQSA-N	301.188	1.208	50	20	DDGD	
C[C@@H]1CCN(C(=O)[C@@]2(C)C[C@@H]2Br)CCS1(=O)=O	907745906	GUFCELLGUSTYIX-YWVKMMECSA-N	324.240	1.196	50	20	DDGD	
CSc1cccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	831047579	STVQGSRZPLFJKR-BXKDBHETSA-N	309.391	1.986	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)COc1ccccc1O	730782175	HPGCWTCCCZZNPT-UHFFFAOYSA-N	314.341	1.470	50	20	DDGD	
CC(C)c1ccccc1NC(=S)NNC(=O)[C@@H]1C[C@H]1C(=O)O	736523470	RTJJCWZKJCUXPG-GHMZBOCLSA-N	321.402	1.848	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C(C)(C)NC(C)=O)c1ccccc1	731998192	ZKFSINVXCNHUJW-CYBMUJFWSA-N	305.378	1.242	50	20	DDGD	
NC(=O)NCCCCC(=O)NNc1nccc2sccc12	734249966	KNGJLNMMRKYNMF-UHFFFAOYSA-N	307.379	1.578	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)c2cnn(C)c2)cc1OC	735412263	UBDVXVZWPHOQKV-UHFFFAOYSA-N	302.334	1.591	50	20	DDGD	
CCn1cc(NC(=S)NNC(=O)c2ccccc2OC)cn1	731490776	UAFANECFVHYCNA-UHFFFAOYSA-N	319.390	1.543	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2csc3cncn23)c1	733931135	OOLLVGDNPHXMQI-UHFFFAOYSA-N	311.326	1.342	50	20	DDGD	
CC1(C)[C@H](NC(=O)NNc2cccc(C(=O)O)c2)[C@@H]2CCO[C@H]21	833555069	FJQDVTVCOWTVLB-YNEHKIRRSA-N	319.361	1.824	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCOC[C@@H]1CC(C)C	733796605	HFWFCNBDEZHFLR-KGLIPLIRSA-N	313.442	1.315	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCO[C@@H](c2ccccc2)C1	732197453	YUAZVNUHQJBBTO-TZMCWYRMSA-N	305.378	1.006	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNc1ccc(F)c(C(=O)OC)c1	837034269	KUMAAAXGMWNAIC-CQSZACIVSA-N	323.368	1.930	50	20	DDGD	
COC(=O)CC[C@@H](NS(=O)(=O)CCl)c1ccccc1	830409539	FGKQNUBUKAUBFN-LLVKDONJSA-N	305.783	1.797	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)Cn2cnc3ccccc32)s1	748696998	ZBKBMTUULBBFPK-UHFFFAOYSA-N	315.358	1.262	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](C(C)C)N(C)C)c1F	837060058	HCRTXRPBJKHCEU-CYBMUJFWSA-N	311.357	1.642	50	20	DDGD	
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NNc1ccc(F)cc1F	748292167	MRCZXKWERWXGFV-UHFFFAOYSA-N	324.243	1.178	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H](c2ccccc2)C(C)C)nc1O	743296579	ZMQOHLSNQDIYMT-LBPRGKRZSA-N	301.350	1.769	50	20	DDGD	
Cc1cncc(C(=O)NNC(=O)COc2ccccc2F)c1	742470424	FELXSLHMUSFHMW-UHFFFAOYSA-N	303.293	1.369	50	20	DDGD	
CCCC[C@@H](CN)NC(=O)NNC(=O)c1c[nH]c2ccccc12	841959547	RFAMDRTWKWEAKR-NSHDSACASA-N	317.393	1.629	50	20	DDGD	
COc1ccc(OCCC(=O)NNC(=O)CC(F)(F)F)cc1	918364564	PIXNHTHLFPXALN-UHFFFAOYSA-N	320.267	1.564	50	20	DDGD	
CC(C)OCCC(=O)NNC(=O)c1cc(Br)c[nH]1	914751131	HJZQMCDGOBIBEH-UHFFFAOYSA-N	318.171	1.353	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)CCO)cc1Br	749860128	WLEJRGHTEBCZIN-UHFFFAOYSA-N	315.167	1.946	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=CC[C@H]1CCCCC12OCCO2	842557332	DGXGTUXILDVARA-BFHYXJOUSA-N	310.394	1.837	50	20	DDGD	
CC(C)C(=O)NNC(=O)Cc1ccn(-c2ccc(F)cc2)n1	742034500	JFMJSSVPBTZTQF-UHFFFAOYSA-N	304.325	1.357	50	20	DDGD	
Cn1ccnc(NNC(=O)c2cnc(-c3ccco3)s2)c1=O	747937643	JPMSBYCZDFVUKI-UHFFFAOYSA-N	317.330	1.254	50	20	DDGD	
COc1ccnc(NNC(=O)NCCc2ncc(C)cc2C)n1	847413720	YCMWYADBYOKKDA-UHFFFAOYSA-N	316.365	1.366	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)N[C@@H]1CCN(CC(F)F)C1	842197182	RVXGMMPGUKPEAN-SECBINFHSA-N	319.743	1.701	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-]	910145811	WFTNWROWXVVLMG-ZETCQYMHSA-N	321.255	1.571	50	20	DDGD	
O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1O)Nc1ccccn1	743815235	WYSIYMZBCHBTMR-UHFFFAOYSA-N	317.261	1.162	50	20	DDGD	
CC(C)[C@@](C)(O)C(=O)NNc1ncc(Br)cn1	848322131	QVVHYSBEWMJMQP-SNVBAGLBSA-N	303.160	1.089	50	20	DDGD	
COCCCOc1cccc(C=NNC(=O)[C@H]2CCO[C@H]2C)c1	842554518	JKEGIIUPXHZUNR-BBRMVZONSA-N	320.389	1.977	50	20	DDGD	
CC1=C(C(=O)NNc2ccccc2F)[C@@H](C)n2nnnc2N1C	847599466	DMLUWOJWQYYWHQ-SECBINFHSA-N	317.328	1.240	50	20	DDGD	
N#Cc1cccc(NNC(=O)CNC(=O)c2ccc(O)cc2)c1	749259736	FFPLWIVUFPOHCN-UHFFFAOYSA-N	310.313	1.137	50	20	DDGD	
O=C(NNC(=S)NC[C@@H]1CCOC1)c1cccc(Cl)c1	749637534	AQOGJOYYQKKBMO-VIFPVBQESA-N	313.810	1.485	50	20	DDGD	
COCC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1)C(C)C	741457781	ZRRBONDETJJYDR-MCIONIFRSA-N	313.442	1.506	50	20	DDGD	
Cc1c(C(=O)NNC(=O)N(C)C)cnn1-c1ccc(F)cc1F	746001212	AXOXKBKIQAPWJJ-UHFFFAOYSA-N	323.303	1.375	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1ccc(Cl)cc1	842587350	ZSGNNUXVJGLJPO-KWQFWETISA-N	318.782	1.075	50	20	DDGD	
CCC[C@@H](C)C(CC)=NNC(=O)N[C@H]1CCS(=O)(=O)C1	748249109	SAIVUKRLVUKXBV-MNOVXSKESA-N	303.428	1.675	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNc2c(F)cccc2F)n1	748175773	NTUCSGDFJCDBIB-UHFFFAOYSA-N	307.256	1.903	50	20	DDGD	
COc1ccccc1OCCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843641637	TWBSIPZJOWWUAR-VXGBXAGGSA-N	322.361	1.037	50	20	DDGD	
CCCOc1ccccc1NC(=O)NNC(=O)c1cnccn1	755443278	YYALDUKOLRDDPE-UHFFFAOYSA-N	315.333	1.732	50	20	DDGD	
C[C@@]1(CNC(=O)NCCCCCCN)C[C@@H]1Br	857106630	TWNMPNBSDWJLPS-JQWIXIFHSA-N	306.248	1.978	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2cncc(N3CCOCC3)c2)c1	757126603	QDSPOTPOLFMGDU-UHFFFAOYSA-N	323.356	1.547	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1CC(=O)NNC(=O)C(=O)Nc1ccccn1	758841178	NZDFLGBTUOAXAW-VXGBXAGGSA-N	318.377	1.384	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc3occc3[nH]2)nc1	759740409	XCFVLJBYUHBNPT-UHFFFAOYSA-N	300.274	1.699	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1	858128010	XYDLOQIECBNPDH-FOCJUVANSA-N	320.389	1.581	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCC(C)(C)O)c1C	854006107	GJCLDNMVLRGPKH-UHFFFAOYSA-N	309.366	1.569	50	20	DDGD	
Cc1nccnc1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	854196363	XBKCLHDCNZZRMZ-UHFFFAOYSA-N	314.389	1.762	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C[C@H](C)SC)cc1	757733189	LPLDPSCMHDNQNV-JTQLQIEISA-N	311.407	1.396	50	20	DDGD	
CS/C=C\C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	751582497	SEPSRPAWPYTKMO-FPLPWBNLSA-N	302.359	1.510	50	20	DDGD	
CCN(CC)C[C@@H](C)NC(=O)NNC(=O)c1ccccc1F	921121893	QMSSKHDHOGCDPD-LLVKDONJSA-N	310.373	1.500	50	20	DDGD	
COCCN(C)NC(=O)c1ccc2c(c1)nc(O)n2C1CC1	854412808	MTXOYDHCXVPHQU-UHFFFAOYSA-N	304.350	1.300	50	20	DDGD	
Cc1ncc(C(=O)NNC(=S)NCC2CCC2)c(C(C)C)n1	855091344	MRLHTFKBOSLEDN-UHFFFAOYSA-N	321.450	1.817	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(C)CC(=O)Nc1cc(C)ccn1	855375911	SRZMDHRSFLNDFI-BENRWUELSA-N	302.334	1.231	50	20	DDGD	
C[C@@]1(CNC(=O)N2[C@H]3CC[C@H]2COC3)C[C@H]1Br	856892497	GDLHNORQGBHAJG-GUDRVLHUSA-N	303.200	1.733	50	20	DDGD	
CO[C@H]1CCC[C@H](C(=O)NNC(=O)c2cccc(Cl)n2)C1	857324970	OPKJSELTJYITLI-UWVGGRQHSA-N	311.769	1.701	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NNC(=O)c1cccc(F)n1	856422835	DVWUFMYYZFPESI-DGCLKSJQSA-N	323.368	1.967	50	20	DDGD	
CN1CC[C@H](C(=O)NNC(=O)Cc2ccncc2)c2ccccc21	750779076	ZLNDZGMSTHGOJM-HNNXBMFYSA-N	324.384	1.395	50	20	DDGD	
C[C@H](NC(=O)NC[C@@]1(C)C[C@H]1Br)c1cnn(C)c1	856836592	RAERPMNLBHQMCQ-MKPLZMMCSA-N	315.215	1.954	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)/C=C/c1cncc(O)c1)C1CC1	855099266	VTLPONSCFRUTSX-MAHOQKISSA-N	306.391	1.094	50	20	DDGD	
C[C@@]1(CCC(=O)NNc2cc(C#N)cc(Cl)n2)CCC(=O)N1	753433108	IOCNCKCUFVJJSC-AWEZNQCLSA-N	321.768	1.499	50	20	DDGD	
COC[C@H](NCc1ccc(OCCCCl)cc1)C(=O)O	859805120	KQSOAHQJEUEQHY-ZDUSSCGKSA-N	301.770	1.884	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2c(C)nn(C)c2Cl)nc1	759721960	SCWNPGOCCBEQII-UHFFFAOYSA-N	323.740	1.320	50	20	DDGD	
CN1CCC[C@@H](c2cccc(C(=O)NNC(=O)C3CC3)c2)C1	856729251	RHMYJUBTJHUICA-OAHLLOKOSA-N	301.390	1.667	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cccc(N(C)C)c2)sn1	756858219	SBDYGHMSZTXWDV-UHFFFAOYSA-N	319.390	1.984	50	20	DDGD	
COC1CC(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)C1	858223076	NFVYLQQYVREPFU-UHFFFAOYSA-N	315.329	1.528	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)N[C@@H]3CCOC3)cc2C1	752126228	GOIYMJABOAGTCJ-MWLCHTKSSA-N	323.418	1.606	50	20	DDGD	
CC(Cn1cccn1)=NNC(=O)CCCNC(=O)C(C)(C)C	853407319	BWQNLUMRIABFPP-UHFFFAOYSA-N	307.398	1.318	50	20	DDGD	
O=C(CC1CC1)NN=Cc1ccc(N2CCC(O)CC2)cc1	853352163	JZIRYDDFGDNUKT-UHFFFAOYSA-N	301.390	1.898	50	20	DDGD	
COCCN1CC(=O)N(C[C@@]2(C)C[C@@H]2Br)C1=O	857227054	FMRNPBNEXLUBKM-GZMMTYOYSA-N	305.172	1.071	50	20	DDGD	
C[C@H]1CC2(CCNCC2)CN1S(=O)(=O)CBr	850588303	ABMNGTGQKDOCLM-VIFPVBQESA-N	311.245	1.133	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C(C)(C)c2ccccc2)n1	752312150	HEJFEOTWKLFPDC-UHFFFAOYSA-N	313.357	1.829	50	20	DDGD	
COC(=O)[C@H](C)Oc1ccc(C=NNC(=O)C2CCC2)cc1	758368826	BBUFVNUDKASLNL-NSHDSACASA-N	304.346	1.877	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)NC1(C(F)(F)F)CCOCC1	932295802	ADGIVDQNVIXNDT-UHFFFAOYSA-N	320.271	1.070	50	20	DDGD	
C[C@H](NC(=O)c1ccccc1)C(=O)NN[C@@H](C)C(F)(F)F	862305132	WQSVREOLNQJMEN-IUCAKERBSA-N	303.284	1.377	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CCCN(CC(F)F)C2)nc1	867644877	ZSHZMCFEZOCVOW-JTQLQIEISA-N	314.336	1.510	50	20	DDGD	
CC[C@]1(C(=O)NNc2cc(Cl)nc(Cl)c2)CCNC1=O	868969689	VFEVKGFSEGGJHN-LBPRGKRZSA-N	317.176	1.748	50	20	DDGD	
CCO[C@H]1CCCC1=NNC(=O)c1cccc(S(C)(=O)=O)c1	766432865	CVZCHUAJZOUSQK-AWEZNQCLSA-N	324.402	1.765	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)c2ccc[nH]2)c(C)c1	767136057	WYBHMRMQPIGOPE-UHFFFAOYSA-N	302.334	1.476	50	20	DDGD	
CCC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)CC)cc1	861803681	AVOUVKDPIQCJDD-SNVBAGLBSA-N	319.361	1.411	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cnn(CCF)c1	863099352	KKBGLXOYKVMXSS-UHFFFAOYSA-N	304.194	1.285	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)N1	862461989	NUGQNMGJUDPZNK-WUHRBBMRSA-N	307.394	1.019	50	20	DDGD	
Cc1cccc(C=NNC(=O)[C@@H]2CCC(=O)N2)c1OC(F)F	863147494	HIZMCILWSYUKJU-JTQLQIEISA-N	311.288	1.325	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CCc2cn[nH]c2)ccc1C	863919154	ROYKCIZHZFTPFS-UHFFFAOYSA-N	302.334	1.581	50	20	DDGD	
CCCOc1cccc(CC(=O)NNC(=O)c2cn[nH]c2)c1	862472848	URAPGVPQKBWFKT-UHFFFAOYSA-N	302.334	1.202	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CN(C)C2CCC2)cc1C	863851824	SAMHRRYZHBKGKP-UHFFFAOYSA-N	319.405	1.314	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCc1ccc(Cl)c(F)c1	861206223	SAAIGPZXSZWZOC-UHFFFAOYSA-N	302.733	1.330	50	20	DDGD	
C[C@H](NNC(=O)CCNC(=O)Cc1ccccc1)C(F)(F)F	862306581	MDBMTBTVOPPRRF-JTQLQIEISA-N	317.311	1.307	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1ccccc1N(C)C	769569344	HJLYFGDPSLVTPK-UHFFFAOYSA-N	302.378	1.215	50	20	DDGD	
Cc1cc(=NNC(=O)Cc2ccc(NC(=O)C3CC3)cc2)cc[nH]1	862513567	TWGKZPZTKFDXHE-UHFFFAOYSA-N	324.384	1.846	50	20	DDGD	
C[C@H](NNC(=O)CCNC(=O)C1CCCCC1)C(F)(F)F	862308281	BNGWSCVVOFYJFD-VIFPVBQESA-N	309.332	1.645	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCN2C(C)(C)C)cc1	862993323	NSXPEFANDNCIAC-CQSZACIVSA-N	319.405	1.394	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1C	861452001	KBBILQUNVOKMKM-GHMZBOCLSA-N	307.350	1.581	50	20	DDGD	
Cc1cc(C=NNC(=O)c2cn[nH]c2)c(C)n1C[C@H]1CCCO1	863156278	UGMGBYNMUPPIOK-OAHLLOKOSA-N	315.377	1.771	50	20	DDGD	
NC(=O)[C@H](NC(=O)CCl)c1cccc(Br)c1	1116437543	GGYAEMAXWZOHJV-SECBINFHSA-N	305.559	1.331	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1ccc(Br)c(F)c1	767783928	ZLNLIVBZOBMZKL-UHFFFAOYSA-N	316.174	1.990	50	20	DDGD	
Cc1cccc([C@@H]2C[C@H]2C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	862094944	SIHCDVKWRUYYOJ-UQOMUDLDSA-N	302.374	1.671	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NNc1ccc(Cl)nc1	766285226	RGLQEWLTFUNFGU-NXEZZACHSA-N	311.773	1.276	50	20	DDGD	
C[C@@H]1CN(CCNC(=O)[C@H](Br)C(C)(C)C)CCO1	767933709	ADZOFSLWYACKKA-MNOVXSKESA-N	321.259	1.633	50	20	DDGD	
C#Cc1ccc(C(=O)NNc2nccc(N(CC)CC)n2)nc1	762912010	CQIYJKYDOFZQNS-UHFFFAOYSA-N	310.361	1.456	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NN=C1CCC[C@H]1F	872388104	BQSMOEPRVMFNMN-JTNHKYCSSA-N	308.357	1.882	50	20	DDGD	
Cc1cccc(NNC(=O)NCc2ccc(N(C)C)nc2)n1	875070551	CBGBOERUKFTSFF-UHFFFAOYSA-N	300.366	1.677	50	20	DDGD	
Cc1cc(F)c(S(=O)(=O)N2CC=C(C#N)CC2)cc1C(=O)O	871935393	WRRUYUYTYFFSKS-UHFFFAOYSA-N	324.333	1.677	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccnnc2)c(C)n1CC1CC1	1117997479	LRSMDOGWINIEKN-UHFFFAOYSA-N	313.361	1.380	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1	878126020	UBEMYLASUJMWPI-UHFFFAOYSA-N	320.393	1.537	50	20	DDGD	
CCC(CC1CCCCC1)=NNC(=O)[C@@H](C)NS(C)(=O)=O	872351059	MSZVDCDLJQQAQL-LLVKDONJSA-N	317.455	1.777	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C[C@@H](C)COC)nc1C	778428522	NHNRWIRIOQAFBF-SECBINFHSA-N	310.354	1.077	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(O)nc(C(C)C)c1	772238991	NUCCKLJKZVLWHD-SECBINFHSA-N	323.349	1.013	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1C	873762216	QSJWKYWBZXOEQF-GHMZBOCLSA-N	308.363	1.286	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)C(=O)NNc1cc(Cl)ccc1F	871272013	IDZMCACBOZZJOA-ZETCQYMHSA-N	308.762	1.603	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)c2nccs2)o1	770266127	RWWBXYTXVLVKFS-UHFFFAOYSA-N	322.390	1.653	50	20	DDGD	
CO[C@H](C)c1noc(CN2CCCN(C(=O)CCl)CC2)n1	1116439409	YODLUVZSGJPMLV-SNVBAGLBSA-N	316.789	1.050	50	20	DDGD	
NNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccs1	876789899	MSVVVDPGMGTMEH-ZIAGYGMSSA-N	301.415	1.954	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)c1ccc(Cl)cc1OC	772851602	LUCIBCCGFSQEDG-UHFFFAOYSA-N	322.752	1.640	50	20	DDGD	
COc1ccc(OC)c(C(=O)NNc2cc(Cl)nc(N)n2)c1	779373118	AFCWHMHVBAKCSD-UHFFFAOYSA-N	323.740	1.486	50	20	DDGD	
CN(NC(=O)c1ccccc1N(C)C(=O)c1ccco1)C(N)=O	778418667	QQKLDFKFTRHGGU-UHFFFAOYSA-N	316.317	1.212	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CCOC[C@H]1CCCO1	772876801	YTHYEHIXAAOEAO-GFCCVEGCSA-N	308.382	1.629	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(F)c(F)c1F	772189188	XKAFYGHMMJIQGS-LURJTMIESA-N	318.251	1.207	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNC(=O)C2CCOCC2)ccc1C	883062060	PMAIZYSWLPYWGF-UHFFFAOYSA-N	319.361	1.141	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCCO[C@@H]1CCOC1	885724966	OKIJXMZIVMERHS-BMQCOBNYSA-N	302.330	1.221	50	20	DDGD	
CC1(C)Cc2cccc(C(=O)NNC(=O)c3cccnn3)c2O1	882056439	URPZNRCGBBYPGO-UHFFFAOYSA-N	312.329	1.265	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)NCC3CC(C)(C)C3)nc21	780873153	IYXGURYLMMYCOT-UHFFFAOYSA-N	319.369	1.131	50	20	DDGD	
O=C(NNC(=O)c1ccc(F)cn1)c1ccc2c(c1)OCO2	784586224	UUSCOLSOIGOXAQ-UHFFFAOYSA-N	303.249	1.024	50	20	DDGD	
O=C(NNc1cccc(F)c1)C(=O)Nc1cnn(C(F)F)c1	783035870	GMQWGMZDZFNACE-UHFFFAOYSA-N	313.239	1.499	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCCN2CCC(C)(C)C2)cn1	890068653	ABUYIWLPQXKKAD-RIYZIHGNSA-N	301.394	1.175	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1cccc2c1OCCO2	899094917	AIEXZCHTMSWEKP-UHFFFAOYSA-N	307.350	1.334	50	20	DDGD	
CS(=O)(=O)c1ccccc1CC(=O)NNc1ccccc1F	786428087	WPDBYJIEBZJMOY-UHFFFAOYSA-N	322.361	1.915	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)C(=O)Nc1ccccc1F	784792771	WEXJRHCQRKYWST-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@H]1CCCN(CC(F)F)C1	899997513	WMALQTXNQSADSS-SECBINFHSA-N	322.425	1.257	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2C[C@]23C(=O)Nc2ccccc23)nc(C)n1	895153685	KHQPQPFCFYQJSL-YVEFUNNKSA-N	323.356	1.447	50	20	DDGD	
CCNS(=O)(=O)c1cccc(C(=O)N2CC=C(C#N)CC2)c1	780687450	VNGPZXHICLKDPY-UHFFFAOYSA-N	319.386	1.281	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@H]1CC(=O)N(C2CCCCC2)C1	781366739	RSIGKMSJYHHEOC-NSHDSACASA-N	320.368	1.845	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)NCCc2cccs2)CCCOC1	781309295	HTHHUDSHRVZBPX-CQSZACIVSA-N	311.407	1.438	50	20	DDGD	
CCNC(=O)N(C)N=Cc1c(C)nn(-c2ccccc2)c1N	794923185	WWVCLAOXDLLNRB-UHFFFAOYSA-N	300.366	1.758	50	20	DDGD	
C[C@@H]1OCC[C@@]1(O)CNC(=O)[C@H](Br)C(C)(C)C	790256231	ZKJZTIPXOSOPJN-HOTUBEGUSA-N	308.216	1.452	50	20	DDGD	
C[C@H](Oc1ccc(/C=C(\C#N)S(=O)(=O)N(C)C)cc1)C(=O)O	794714451	RLEUSRWLASBPJB-XNFYSYIQSA-N	324.358	1.294	50	20	DDGD	
COc1ccc(OC)c(C(=O)NNC(=O)c2cccc(C)n2)c1	794071270	BBHJRYAPTXMLKP-UHFFFAOYSA-N	315.329	1.482	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2c(C)c(O)c(C)c(C)c2O)n[nH]1	799883339	YMCPCQNTIHEFQH-UHFFFAOYSA-N	302.334	1.818	50	20	DDGD	
COC(=O)NNC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C	794900355	QHNGBSADSIRRGA-MRVPVSSYSA-N	301.343	1.019	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1	798310497	PAYOSRUCZGIPAF-VXGBXAGGSA-N	318.377	1.439	50	20	DDGD	
CCOc1nc(C(=O)NNC(=O)Nc2ccccc2C)co1	798310908	YOMNRSVUIKHSHG-UHFFFAOYSA-N	304.306	1.848	50	20	DDGD	
Cc1nc(CSCC(=O)NNc2ncc(F)cn2)cs1	1319553885	YQZVXUFHJISGRY-UHFFFAOYSA-N	313.383	1.757	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cnc(C(C)C)[nH]2)cc1	1318696880	KNPGHHILFCNWGG-UHFFFAOYSA-N	315.377	1.715	50	20	DDGD	
CN(C)c1cc(Cl)cc(Cl)c1C=NNC(=O)CCO	1327587590	LZDBTVSQTJGIBN-UHFFFAOYSA-N	304.177	1.892	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)CCc2ccncn2)nn1	1321106222	ULFHZMNDYVOCFZ-UHFFFAOYSA-N	300.366	1.640	50	20	DDGD	
Cc1nn(C)cc1CCC(=O)NNc1ccc([N+](=O)[O-])cc1F	1329385795	WPALLHQNHDMEEL-UHFFFAOYSA-N	321.312	1.852	50	20	DDGD	
Cc1nn(CCO)c(C)c1C=NNC(=O)Cc1ccc(F)cc1	1324231473	TWVCLZDPYLCJQB-UHFFFAOYSA-N	318.352	1.324	50	20	DDGD	
CN(C)[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)CC(F)(F)F	1321745003	WUSILXVWWANPIA-IUCAKERBSA-N	310.320	1.142	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1nccc(Cl)c1F	1320503367	GRSRVPFNQCWRAZ-UHFFFAOYSA-N	312.688	1.611	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc(OCC#N)cc2)cc1	1320869355	WWAKJUJVHYPVPS-UHFFFAOYSA-N	324.340	1.979	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)/C=C/c2cnc(C)s2)cc1	1334883135	AFYFLPKKIQSSKH-BQYQJAHWSA-N	317.370	1.935	50	20	DDGD	
COC(=O)[C@@H]1C[C@H](O)CN(C[C@H](CBr)C2CC2)C1	1331396253	MKRPENRANWQFOV-WOPDTQHZSA-N	320.227	1.263	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NC[C@@H]1CCCCCN1	1335718340	YLNWWZBLWBBNTE-AWEZNQCLSA-N	322.384	1.231	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)COc1cc(C)ccc1C	1336752525	YBDVFWUMVPKLOC-UONOGXRCSA-N	320.389	1.645	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ncc(Cc2ccccc2)s1	1342674922	NEDSZQDGRWQWSA-UHFFFAOYSA-N	320.374	1.269	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1	1261818905	KLKMMTWBNNMYNK-CABZTGNLSA-N	306.322	1.261	50	20	DDGD	
N#Cc1ccc(NC(=O)NNc2nncc(N)c2Cl)cc1	1340509771	QWSPMAGDMHODHM-UHFFFAOYSA-N	303.713	1.732	50	20	DDGD	
Cn1cc(N2CC[C@@H](NC(=O)C3CCC(Cl)CC3)C2=O)cn1	1345978233	LLVKGQBEJUKMLW-GCZXYKMCSA-N	324.812	1.439	50	20	DDGD	
Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NNC(=S)NC(C)C	1348645661	KFRCBDPAVIWWGP-UHFFFAOYSA-N	310.379	1.729	50	20	DDGD	
CC(C)C[C@H](C)NC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1351174564	KYARECBVPIEAMK-OPQQBVKSSA-N	319.243	1.827	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)Nc1ccc(C(F)F)cc1	1515849671	BLYOIHVXCODMLQ-UHFFFAOYSA-N	311.288	1.510	50	20	DDGD	
C[C@@]1(COC(=O)CCCCNC(N)=O)C[C@H]1Br	1519553866	SVEHYIPSVDTUGD-KCJUWKMLSA-N	307.188	1.542	50	20	DDGD	
NC(=O)[C@H]1CCC[C@@H](C(=O)NNc2ccc(C(=O)O)cc2F)C1	1601145868	UDNKULUQFXBSNP-DTWKUNHWSA-N	323.324	1.259	50	20	DDGD	
Cc1ncoc1CNC(=O)NNc1ccc(C(=O)O)cc1F	1600757773	CDAFXJVNZDWWPS-UHFFFAOYSA-N	308.269	1.647	50	20	DDGD	
C=C(CCC(=O)O)C(=O)NNc1cc(Br)ncn1	1602783563	HIBPRUURWQWPKW-UHFFFAOYSA-N	315.127	1.103	50	20	DDGD	
O=C(Cc1c(F)cccc1F)NNc1ccc(C(=O)O)cn1	1608357071	AFLXMGVITQMPMN-UHFFFAOYSA-N	307.256	1.744	50	20	DDGD	
O=C(O)c1cc(C(=O)NNc2ccnc(C(F)(F)F)c2)on1	1602246799	CQOOAXYETFUBSQ-UHFFFAOYSA-N	316.195	1.544	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccc(C(=O)O)nc2)o1	1600340994	IBNDYLOFIZRORX-UHFFFAOYSA-N	304.262	1.148	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H]2CCO[C@H]2C)ccc1-c1nn[nH]n1	1605652047	CDUGXYYIMPVXLJ-GWCFXTLKSA-N	314.349	1.050	50	20	DDGD	
CCCC[C@@H](CN)NC(=O)NNc1ccc(C(=O)O)c(F)c1	1609966806	IQKANGUXDUQJMF-JTQLQIEISA-N	312.345	1.668	50	20	DDGD	
Cc1c(NNC(=O)C[C@@H]2CCCC(=O)N2)cccc1C(=O)O	1600052275	GNOMJNYMXVWHAA-JTQLQIEISA-N	305.334	1.195	50	20	DDGD	
CSSCCNC[C@@H](O)c1ccc(-c2nn[nH]n2)cc1	1609371926	DQQCLHIGTCHZNU-LLVKDONJSA-N	311.436	1.501	50	20	DDGD	
Cc1cc(C(=O)NN=C2CCCn3nc(C(=O)O)cc32)c(C)o1	1600095859	VHEJNUDUCMLEIR-UHFFFAOYSA-N	316.317	1.719	50	20	DDGD	
CO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Cl)C2	1802384569	HZPHOOPEDMVRAB-HHKYUTTNSA-N	306.765	1.194	50	20	DDGD	
CCC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)O	1801952542	MJPGZBRWPNWIAI-LBELIVKGSA-N	316.829	1.413	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@@H]2C=NNC(=O)C2CCOCC2)cn1	1552919458	JJJPLCGVXXEAAS-UKRRQHHQSA-N	320.393	1.509	50	20	DDGD	
CNCCCC(=O)NNc1cc(C#N)ccc1Br	1578680748	IGXKIQQHWRLAIR-UHFFFAOYSA-N	311.183	1.763	50	20	DDGD	
CC[C@@H](NC)C(=O)NNc1cc(Cl)nc2c1c(C)nn2C	1577172109	KLOBYRPDASXCNN-MRVPVSSYSA-N	310.789	1.371	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCCCC23CCNCC3)n[nH]1	1579565739	UWMYDSTVSKHJBZ-LBPRGKRZSA-N	319.409	1.039	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)CNCC2CC2)cc1	1578428104	WXXFQOXNLZAHNQ-UHFFFAOYSA-N	321.450	1.070	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCCCC23CCNCC3)n[nH]1	1579565738	UWMYDSTVSKHJBZ-GFCCVEGCSA-N	319.409	1.039	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNC(=O)c2c[nH]c3ccccc23)nc1	1574795709	FDVOSUUOKCCILP-UHFFFAOYSA-N	324.296	1.336	50	20	DDGD	
Nc1ccc(C(=O)NNc2ccc(-c3ccccc3)nn2)cn1	1580440117	RHPVUXIHLPWENF-UHFFFAOYSA-N	306.329	1.878	50	20	DDGD	
CC(C)(C(=O)O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	1588618583	VJYDPIJRTIWALW-UHFFFAOYSA-N	308.378	1.461	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN1)c1cccc(SC(F)(F)F)c1	1580732811	JZKGIRRFQPMYCW-VIFPVBQESA-N	319.308	1.421	50	20	DDGD	
CC(=O)C[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843366931	YEBPZVKSMOUNRH-KOLCDFICSA-N	318.776	1.339	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccccc2C(=O)O)o1	1594347091	UPMLEXMWTOGYST-UHFFFAOYSA-N	302.286	1.290	50	20	DDGD	
O=C(O)COc1ccc(C(=O)NNc2cccc(Cl)n2)cc1	1595119059	JJFOPCLQUHXBJR-UHFFFAOYSA-N	321.720	1.955	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccc(C(=O)O)cc1F)n1ccnc1	1592252567	MVTSBAKNMZVALV-VIFPVBQESA-N	306.297	1.815	50	20	DDGD	
C[C@]1(C(=O)NNc2ccc(C(=O)O)cn2)C[C@H]1Br	1593755170	MKVRHIQJVSZGNH-HQJQHLMTSA-N	314.139	1.396	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)Nc1cccc(CC(=O)O)n1	1591213766	CETIETTXMIMVTG-UHFFFAOYSA-N	308.338	1.298	50	20	DDGD	
CN(C)N(C(=O)CC(F)(F)F)c1nc(CC(=O)O)cs1	1598256622	UJRNTDJGVPAUHS-UHFFFAOYSA-N	311.285	1.532	50	20	DDGD	
CC(C)n1nnc(NC(=O)NNc2ccc(C(=O)O)cc2F)n1	1592171710	OBOMFLXVRWAIBB-UHFFFAOYSA-N	323.288	1.240	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)ccc1C(=O)O	1776090987	MGGRETGLJFOEQZ-RAIGVLPGSA-N	318.329	1.411	50	20	DDGD	
O=C(NCc1ccco1)NN=Cc1ccc(C(=O)O)c(F)c1	1776039062	IMYAHPVKSUXTLZ-UHFFFAOYSA-N	305.265	1.950	50	20	DDGD	
CC(C)CC(=O)NN[C@@H](C(=O)NC1CC1)c1ccc(F)cc1	11078397	QCPNDMRQGGPNLX-OAHLLOKOSA-N	307.369	1.812	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)Nc2ccccc2)nc2ccccc21	18178297	QYEXGCYPVBYKSW-UHFFFAOYSA-N	323.356	1.969	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)CNc2ccc(C)cc2C)co1	161625199	NFIXAQZNDAZTDY-UHFFFAOYSA-N	316.361	1.727	50	20	DDGD	
COc1cc(C)cc(CNC(=O)NNc2ccc(C)nn2)c1	162673782	KHQWRHPWOKZJFC-UHFFFAOYSA-N	301.350	1.928	50	20	DDGD	
CN(CC(=O)NNc1ccccc1F)c1ncnc2nc[nH]c12	152878803	WWHSHQZBRJUSEO-UHFFFAOYSA-N	315.312	1.072	50	20	DDGD	
O=C(NNC(=S)NCc1ccc(F)cc1)[C@H]1CCCCO1	153074526	ZUYHDLXRUBGAQT-GFCCVEGCSA-N	311.382	1.390	50	20	DDGD	
O=C(C1CC1)N1CCN(C[C@@H](CBr)C2CC2)CC1	859053938	QBYHUOGIMGJHBU-CYBMUJFWSA-N	315.255	1.962	50	20	DDGD	
CCC[C@H](NS(=O)(=O)c1ccc(CCCl)cc1)C(N)=O	312556431	HHUSKHKVSYVBOT-LBPRGKRZSA-N	318.826	1.400	50	20	DDGD	
Cc1ccccc1C(=O)NNS(=O)(=O)c1cccc(C#N)c1	7404216	ZPAXCSOXLVWIOP-UHFFFAOYSA-N	315.354	1.490	50	20	DDGD	
Cc1noc(C)c1CCC(=O)NNC(=O)c1ccccc1F	7525977	NEILUQAMLJRRHW-UHFFFAOYSA-N	305.309	1.824	50	20	DDGD	
NC(=O)COc1ccccc1C(=O)NNc1cccc(Cl)c1	53067184	HVDHLUQZIAEQBK-UHFFFAOYSA-N	319.748	1.961	50	20	DDGD	
Cn1c(NNC(=O)CC[C@H]2CCOC2)nc2ccccc2c1=O	176074505	BSUUXFBREABDFQ-NSHDSACASA-N	316.361	1.193	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1cccnc1C	108447315	HIOKXQVTHNTGDJ-UHFFFAOYSA-N	314.345	1.272	50	20	DDGD	
CCN(CC)[C@@H](C(=O)NNC(=O)c1ccc[nH]1)c1ccccc1	104825360	BWHVECJLJUNXTJ-OAHLLOKOSA-N	314.389	1.859	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2ccc(F)cc2)cn1	170699012	WLRLWMVIKAONAN-UHFFFAOYSA-N	320.349	1.861	50	20	DDGD	
O=C(NCC1CC1)NNS(=O)(=O)c1ccc2c(c1)CCC2	64940312	FVCWDBSMFHZQMJ-UHFFFAOYSA-N	309.391	1.078	50	20	DDGD	
Cn1cc(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)cn1	112693203	ZYGPOXLHCRPQGB-UHFFFAOYSA-N	318.724	1.880	50	20	DDGD	
CCCCCS(=O)(=O)CC(=O)NNC(=O)CC1CCCC1	170829858	HBXFBKPTNRQJBT-UHFFFAOYSA-N	318.439	1.319	50	20	DDGD	
CCNC(=O)NNC(=O)/C=C/c1ccccc1OC(F)(F)F	65189936	ZFXNRKGBDGCZRV-BQYQJAHWSA-N	317.267	1.949	50	20	DDGD	
N#Cc1c[nH]c(C(=O)NNC(=O)c2cc3ccccc3cc2O)c1	175151245	MGBLEKMAPKFMAZ-UHFFFAOYSA-N	320.308	1.820	50	20	DDGD	
Cc1ccc(C(=O)N[C@H](C(=O)NNC(=O)C(C)C)C(C)C)cc1	23421237	QSVOWMROMCWVIM-AWEZNQCLSA-N	319.405	1.553	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2sc(C)nc2C)o1	176687671	NGKGJNCORWOEBT-UHFFFAOYSA-N	315.376	1.285	50	20	DDGD	
Cc1ccc2c(CC(=O)NNC(=O)c3ccncc3)c[nH]c2c1	171055295	PWRJTMMDEWKKIX-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
COC(=O)N1CC(NC(=O)NNc2ccc(Cl)c(F)c2)C1	178747908	VMQARIBTYDQFTH-UHFFFAOYSA-N	316.720	1.556	50	20	DDGD	
O=C(NNc1ccc(F)cc1)c1ccc(N2CCCC2)nn1	171705361	DWKKGHSTRXVMSZ-UHFFFAOYSA-N	301.325	1.973	50	20	DDGD	
COCCC(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1	171351502	WJXHRTWTLIZJFO-GFCCVEGCSA-N	316.357	1.791	50	20	DDGD	
CC(C)CN1CCC[C@@H](CNC(=O)NNC(=O)C(C)(C)C)C1	126569928	WGNXQNTVPXXKCR-ZDUSSCGKSA-N	312.458	1.731	50	20	DDGD	
Cc1cc(NNC(=O)CNC(=O)CC2CCCCC2)nc(C)n1	128853375	VKDKFAQBYDYENP-UHFFFAOYSA-N	319.409	1.623	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C(=O)OC)c1ccc(F)c(C)c1	186032490	OBXCNGHRQSBOTK-TZIYXEQSSA-N	320.320	1.908	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2oc(C)nc2C)c1	72795894	QTEYCRLCGOOWGM-UHFFFAOYSA-N	317.345	1.748	50	20	DDGD	
CSCc1noc(CCC(=O)NNC(=O)CC(C)(C)C)n1	129944342	HRMQNDIARDHIMA-UHFFFAOYSA-N	314.411	1.449	50	20	DDGD	
COc1cc(/C=C(/C#N)S(C)(=O)=O)c([N+](=O)[O-])cc1OC	211201479	DEUOILHHSYDNJL-WTKPLQERSA-N	312.303	1.521	50	20	DDGD	
O=C(CCN1C(=O)NC2(CCCC2)C1=O)NNc1ccccc1	72628323	BMXWHRNERUPCLY-UHFFFAOYSA-N	316.361	1.384	50	20	DDGD	
O=C1CN(S(=O)(=O)CCCCCl)[C@H]2CCCC[C@H]2N1	154676527	WOFJENLFWIXEHR-MNOVXSKESA-N	308.831	1.078	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2C[C@H](C)O[C@H](C)C2)cc(C#N)n1C	181358623	UHPMMFNBTXLGRX-BZCLOUNYSA-N	312.373	1.748	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCN(CC)CC)cc1	79028603	IWSMAIDNKIKGAX-UHFFFAOYSA-N	306.410	1.535	50	20	DDGD	
O=C(CCCc1nc2ccccc2c(=O)[nH]1)NNc1ncccn1	124038568	DTCNLPHCLHVPQJ-UHFFFAOYSA-N	324.344	1.179	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2CCCC[C@@H](C)C2)n1	187906541	ONPHZWKKVUWERW-LLVKDONJSA-N	324.450	1.263	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNc2ncccn2)cc1OC	123915116	LHAJQYXZEVVWMA-FNORWQNLSA-N	300.318	1.650	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cc(C)c(C(=O)O)s1	48654635	ZBCSZCFPTBYKIB-ZCFIWIBFSA-N	320.392	1.110	50	20	DDGD	
CCOC1CC(CC(=O)NNC(=O)c2cccc(N(C)C)c2)C1	189760791	ZCHUAWCLWKKHGN-UHFFFAOYSA-N	319.405	1.719	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2cn[nH]c2C1	134006534	DYMUBLSZYYHUTO-SECBINFHSA-N	301.306	1.566	50	20	DDGD	
CC[C@H](NNC(=O)c1ccc(Cl)cc1OC)C(=O)OC	192830032	RDQRUXJNASBHQY-JTQLQIEISA-N	300.742	1.535	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1c[nH]c(=S)n1-c1ccccc1	198647656	AQYHMUKHAWTGRQ-UHFFFAOYSA-N	302.359	1.706	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1	248385092	HDTATDAWTBQMQF-YDHLFZDLSA-N	313.357	1.521	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc(NC(=O)CC(C)C)c(F)c1	266114348	UWLVSXIMHSOQDA-UHFFFAOYSA-N	310.329	1.384	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cc2cc([N+](=O)[O-])ccc2o1	264655804	CBJKYOREEKMOJF-UHFFFAOYSA-N	303.274	1.902	50	20	DDGD	
CS(=O)(=O)c1ccc(NC(=O)NNC(=O)CC2CC2)cc1	266576290	ZAPPQYSMIFHALP-UHFFFAOYSA-N	311.363	1.043	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CSCc2ccncc2)n1	266938543	PCMCCQYFVXONCC-UHFFFAOYSA-N	319.390	1.565	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1ccc(Cl)nn1	269841590	MKILXWHXUBPLRA-UHFFFAOYSA-N	301.734	1.099	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@@H]1CCn2ccnc2C1	365681984	UMPCXKMJQXOHTM-SECBINFHSA-N	319.296	1.636	50	20	DDGD	
Cc1c(Cl)cccc1NC(=O)C(=O)NNC(=O)CC(C)C	274140202	JRBFULLRILPBSM-UHFFFAOYSA-N	311.769	1.780	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1	365607935	GWQLJZVUEFZJJP-FPMFFAJLSA-N	304.346	1.731	50	20	DDGD	
Cc1cccc(C[C@H](CO)NS(=O)(=O)CBr)c1	276048239	HBNSCCRZZJHZIA-LLVKDONJSA-N	322.224	1.170	50	20	DDGD	
C[C@@H](NC(=O)NNc1cc(F)c(F)c(F)c1)c1ncn(C)n1	275387515	AHXMWKPRUZHJDS-ZCFIWIBFSA-N	314.271	1.620	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc2c(c1)NC(=O)CS2	273314202	IVDQNPOHPAZCSB-UHFFFAOYSA-N	322.390	1.930	50	20	DDGD	
COC(=O)[C@]1(F)CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1	273172372	HDXYOJYLDNEOIG-LJEUOOAZSA-N	320.295	1.846	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNS(=O)(=O)C1CC1	278175919	SHYPBMSKVGUSAW-MRVPVSSYSA-N	318.782	1.220	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccoc2C(C)C)n1	280935428	ILEFXVDPMBTFPQ-UHFFFAOYSA-N	304.350	1.678	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccnn1C(C)C	287650693	AHSHAWYUKZBZQA-UHFFFAOYSA-N	312.370	1.014	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@@H]1OC[C@@H]2CCC[C@@H]21	378027033	PYWBPSIGJJDSGZ-MWODSPESSA-N	309.297	1.992	50	20	DDGD	
COC(=O)N(C)NC(=O)c1nn(-c2ccccc2)c2c1CCC2	286487807	VRGRCTDXWLXUDK-UHFFFAOYSA-N	314.345	1.704	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1ccc2c(c1)OCCO2)C1CC1	289096446	PGWVQJVMMLHJKB-UHFFFAOYSA-N	304.346	1.655	50	20	DDGD	
O=C(COc1cccnc1)NNC(=O)Nc1ccc(Cl)cc1	802020343	ROJPWWNWSWFXNI-UHFFFAOYSA-N	320.736	1.967	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)c1ccccc1F)N1CCCC1=O	299490026	JFRYKEZEPCYRQW-CQSZACIVSA-N	321.352	1.234	50	20	DDGD	
CSSCCNC(=O)N1CCN(C[C@@H]2CCOC2)CC1	807226982	WGOYGIOVUORAAJ-LBPRGKRZSA-N	319.496	1.361	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@H]1CSC[C@H]1C	805790661	BYPVXSHFGQJEFP-PWSUYJOCSA-N	323.418	1.320	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)c2ccncn2)c1	802115793	GAFYXLCGDBAETA-UHFFFAOYSA-N	321.724	1.605	50	20	DDGD	
Cc1nnc(CCNC(=O)NNc2cc(Cl)ccn2)s1	291909874	MZWMLTMNBVYNKU-UHFFFAOYSA-N	312.786	1.764	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1ncc(F)cc1F	803428598	AWVKCMDRKSHODK-UHFFFAOYSA-N	316.267	1.958	50	20	DDGD	
COc1ccc(OC)c(NC(=O)NNC(=O)[C@@H]2CCCCO2)c1	297353684	DKXVJDLHYHALOG-ZDUSSCGKSA-N	323.349	1.426	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1C(=O)NNc1ncccc1F	804214297	UWAPRSGQTPHSHH-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
CCNC(=O)CCC(=O)NNC(=O)Nc1ccc(Cl)cc1	802021104	OFUPIPZTMTXFEF-UHFFFAOYSA-N	312.757	1.409	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)Cc1ccc(F)cn1	806837722	FPRPBJKCLIGWOR-UHFFFAOYSA-N	323.349	1.310	50	20	DDGD	
C[C@H](NC(=O)NNc1ncncc1F)C(=O)N1CCCC[C@H]1C	292840378	YJSPVXWQKYUECW-ZJUUUORDSA-N	324.360	1.031	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1ccc2c(n1)CCC2	296787333	KHVCGNGFHLQEBI-LBPRGKRZSA-N	304.350	1.292	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2ccc(C(F)F)cc2)CC1	807380711	NEXSBFOTDQBXSV-UHFFFAOYSA-N	312.320	1.226	50	20	DDGD	
CO[C@@](C)(C(=O)NNc1cccc(S(C)(=O)=O)c1)C1CC1	291884083	JFWMFMASKFSDOL-CQSZACIVSA-N	312.391	1.348	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCO[C@H](CC)C1	807369085	QKSXOTJTXALICX-NWDGAFQWSA-N	316.398	1.128	50	20	DDGD	
CCO[C@@H](C)C(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1	298506528	NQXIVLULHVZJQT-NSHDSACASA-N	324.377	1.668	50	20	DDGD	
C[C@H](OC[C@@H]1CCCCO1)C(=O)NNc1ncc(F)cc1F	297025893	SSWXSNUPVWMRNA-ONGXEEELSA-N	315.320	1.777	50	20	DDGD	
Cc1ccc2nc(CNC(=O)NNC(=O)CC(C)C)cn2c1	298914306	FHDDSZFODVGJEN-UHFFFAOYSA-N	303.366	1.519	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cncc(C(F)(F)F)c1	808384567	IDXWNRPRUAJUJF-UHFFFAOYSA-N	304.272	1.845	50	20	DDGD	
CN(NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)C1CC1	819642372	GCQBMWJJGLAMLO-UHFFFAOYSA-N	319.449	1.835	50	20	DDGD	
COc1cc(C(C)=NNC(=O)Nc2ccc(C(=O)O)cc2)on1	814858698	DAGIPAVUDFZVGM-UHFFFAOYSA-N	318.289	1.927	50	20	DDGD	
O=C(COc1ccccc1O)NN=C1C(=O)Nc2ccccc21	814951642	NJKGGCRLOZLMSE-UHFFFAOYSA-N	311.297	1.244	50	20	DDGD	
COCCN(C)NC(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1	819745204	TZALPCHKIKVNJH-UHFFFAOYSA-N	302.378	1.917	50	20	DDGD	
O=C1COc2c(cccc2NC(=O)NNc2ncc(F)cn2)N1	810256645	CWKJHLZXQNCRAO-UHFFFAOYSA-N	318.268	1.095	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@H]1CCC(=O)N1C	816486980	ZHHDPZNOXDZVMP-MRVPVSSYSA-N	311.773	1.317	50	20	DDGD	
Cc1cc(F)c(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(F)c1	819803530	QWDWDVLZGZAPDV-SECBINFHSA-N	316.329	1.158	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CC[C@H](C(=O)O)C[C@H]1C	814865190	OJOYBVYGHACWBC-MXWKQRLJSA-N	300.355	1.031	50	20	DDGD	
C[C@H](CNC(=O)NNc1ncncc1F)Oc1cccc(F)c1	814305515	CENFRTZANQOPJG-SECBINFHSA-N	323.303	1.848	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)[C@@H]3CCN(C)C3)cc2C1	729282241	NDSVIMTYBLMUPI-WDEREUQCSA-N	321.446	1.586	50	20	DDGD	
Cn1ccc(C(=O)NNC(=O)Cc2ccc3ccccc3c2)n1	727483296	BXQWTAVDQFBOET-UHFFFAOYSA-N	308.341	1.577	50	20	DDGD	
Cc1cc(C#N)cnc1C(=O)NNC(=O)NC1CCCCC1	814719208	DRUGBLULYRMTSU-UHFFFAOYSA-N	301.350	1.538	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)NCCc1cccs1)C1CCC1	813424269	JOSSCHGFHJYRRS-CQSZACIVSA-N	311.407	1.172	50	20	DDGD	
Cc1cc(OCC(=O)NN(C)[C@@H](C)CO)cc(C)c1Cl	823947284	VULVMHPSOATVKX-NSHDSACASA-N	300.786	1.679	50	20	DDGD	
CC[C@@H](C)C(=O)NN=C(C)c1ccc(-c2nn[nH]n2)c(F)c1	825052816	ZDGBRBLKYILQFN-MRVPVSSYSA-N	304.329	1.892	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ncoc1-c1ccc(OC)cc1	496835942	GRELHGSUEJTTJJ-UHFFFAOYSA-N	305.290	1.693	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCc1ccccc1F	825534800	SWVRVNWVRXLZFL-JQWIXIFHSA-N	309.341	1.124	50	20	DDGD	
CCCCO[C@@H]1C[C@H](NCC(=O)NNC(=O)C(C)C)C1(C)C	829681581	YRPSDNFBKVJFIV-QWHCGFSZSA-N	313.442	1.363	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1COCc2ccccc21	827177678	MKBNPDDXJBQIJJ-ZKYQVNSYSA-N	319.361	1.013	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cc(C3CC3)nn2C)n1	822968059	WYHLRKCDWNKVRM-UHFFFAOYSA-N	306.757	1.806	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)C(O)(c1ccccc1)c1ccccc1	823946948	QCBJUXQAALUVFA-CQSZACIVSA-N	314.385	1.266	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NN=Cc1ccc(C#N)o1	495207923	PATBZNQOKMYTRP-UHFFFAOYSA-N	306.322	1.516	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)NCCSC)c1	726278851	LDRNFQZUPSBOCW-UHFFFAOYSA-N	313.379	1.011	50	20	DDGD	
O=C(NNc1cccnn1)C1(Cc2ccccc2)CCOCC1	829046856	KFJUHVXFKPLTOH-UHFFFAOYSA-N	312.373	1.959	50	20	DDGD	
Cc1ccc([C@H]2CCN(CC(=O)NNC(=O)C(C)C)C2)c(C)c1	829344848	DEOKXLSEQKMROM-HNNXBMFYSA-N	317.433	1.896	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNc1cccc(F)c1C(=O)OC	822728611	WOTUGCSMJZZXAT-MRVPVSSYSA-N	312.297	1.255	50	20	DDGD	
O=C(N[C@H](C1CCCC1)C(F)(F)F)c1ccc(B(O)O)cc1	584960905	NPZRSEAHOLKWOT-GFCCVEGCSA-N	315.100	1.217	50	20	DDGD	
CC1(C)CN(C(=O)[C@]2(C)C[C@H]2Br)CCN1CCO	907598760	FJTQDXHPNQDOFS-ZWNOBZJWSA-N	319.243	1.075	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCO[C@@H](c2cccc(F)c2)C1	732199986	TVNOQPGXVOEWQT-SMDDNHRTSA-N	323.368	1.145	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(F)cc(Br)c1F	822558483	UGFJINZFNLKGIN-ZCFIWIBFSA-N	323.137	1.685	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc(O)nc2cc(F)ccc12	739707105	XNLWBWXJHGRBOT-UHFFFAOYSA-N	318.308	1.434	50	20	DDGD	
CCN(CCO)NC(=O)C(F)(F)c1cnc(Cl)c(C)c1	823377840	YQCGHMYIJPYUAV-UHFFFAOYSA-N	307.728	1.481	50	20	DDGD	
C[C@]1(C(=O)Nc2cc(CO)cc(CO)c2)C[C@@H]1Br	828814437	RCPXSZRWWDZQGK-AAEUAGOBSA-N	314.179	1.783	50	20	DDGD	
N#Cc1ccc([C@@H](NNC(=O)c2ccccc2F)C(N)=O)cc1	734506723	FUFWHCIAMHJYLD-CQSZACIVSA-N	312.304	1.158	50	20	DDGD	
CC1(C)Cc2cc(C(=O)NCB(O)O)sc2-c2ccccc21	585061956	NZVZAFDZVXDNEF-UHFFFAOYSA-N	315.203	1.991	50	20	DDGD	
OB(O)c1ccccc1CNC[C@@H]1CCCN1Cc1ccccc1	585030156	XENIUYNEBBIFRV-SFHVURJKSA-N	324.233	1.121	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCC[C@H]2Oc2ccccc2)o1	585023167	HOKUVHJHNZODSN-HUUCEWRRSA-N	301.151	1.049	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(-c2nc(C)no2)nc1	836735626	OJSVCESQTAPODF-MRVPVSSYSA-N	318.337	1.639	50	20	DDGD	
CC(C)N(Cc1cccs1)C(=O)c1ccc(B(O)O)c(F)c1	584934297	QGLLXQCGKMLSCN-UHFFFAOYSA-N	321.182	1.618	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCCC1	837306092	WOJUNEHYAZKEKM-UHFFFAOYSA-N	321.333	1.563	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CN2[C@@H](C)CC[C@@H]2C)c1F	837060075	HOHLQRMOGTWWFS-QWRGUYRKSA-N	323.368	1.928	50	20	DDGD	
CCc1c(C(=O)NN(C)CCOC)cnn1-c1ccc(C)cc1	837622954	WWJXUTQTLYDEJJ-UHFFFAOYSA-N	316.405	1.966	50	20	DDGD	
C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NNc1cc(C)ncn1	734255359	YNHFQXJBBIWOPM-LBPRGKRZSA-N	323.356	1.743	50	20	DDGD	
Cc1[nH]ccc(=NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1Cl	831620589	DYGQYOMWDJTJTD-RKDXNWHRSA-N	312.757	1.043	50	20	DDGD	
O=C(NNc1ccc(F)cc1)N[C@H]1C[C@@H]2CCCCN2C1=O	838746305	XMEDROMEUJCKET-STQMWFEESA-N	306.341	1.605	50	20	DDGD	
C[C@H](CCCc1ccccc1)C(=O)Nc1cccc(B(O)O)c1	584911919	AQVNOTUCKXEQLY-CQSZACIVSA-N	311.190	1.964	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1cncc(C(=O)O)c1	833763747	DOYZSVXSAXZZJJ-UHFFFAOYSA-N	313.313	1.174	50	20	DDGD	
CO[C@@H](C1CC1)[C@H](C)NC(=O)NNC(=O)c1ccc(C#N)cc1	836266227	VAYJIOZNNAPAHA-IINYFYTJSA-N	316.361	1.316	50	20	DDGD	
OB(O)c1cccc(CNCc2cc(Cl)cc3c2OCC3)c1	585033715	AOXIJLFEZNNLIV-UHFFFAOYSA-N	317.581	1.245	50	20	DDGD	
Cc1cc(NNC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1Cl	905154584	HRRDRRPOMFKKEC-SNVBAGLBSA-N	317.798	1.462	50	20	DDGD	
CC(C)(CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)O	734506059	AVMXHMBDQRZOKJ-UHFFFAOYSA-N	322.405	1.851	50	20	DDGD	
Cn1ccnc1C[C@H](NS(=O)(=O)CCl)c1ccccc1	830740605	UCXYIIQAJSNVJS-LBPRGKRZSA-N	313.810	1.820	50	20	DDGD	
COc1c(C)ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1C	831217531	ADFMKJODALLGTP-NWDGAFQWSA-N	321.377	1.890	50	20	DDGD	
CO[C@@H](c1nc(-c2ccc(B(O)O)cc2)no1)C1CCCC1	585051922	OXZYQXULTISZBG-CYBMUJFWSA-N	302.139	1.294	50	20	DDGD	
CC(=NNC(=O)Cn1nc(C)cc1C)c1ccc2c(c1)CCO2	839399520	PYROLDARPVJRQH-UHFFFAOYSA-N	312.373	1.975	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H]1CCC1CCCC1	584963140	PIERTALQFIQXIZ-QGZVFWFLSA-N	315.222	1.941	50	20	DDGD	
CCCCOc1cccc(CNCc2ccccc2B(O)O)c1	585015521	DNJQUWIPJHKXHU-UHFFFAOYSA-N	313.206	1.835	50	20	DDGD	
CCOCCONC(=O)NNc1cccc(Br)n1	838557787	UPMBJYGLNSLMGC-UHFFFAOYSA-N	319.159	1.438	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCc2cc(CC)[nH]n2)cc1	738488958	PKWVEDOJBHNXBX-UHFFFAOYSA-N	315.377	1.679	50	20	DDGD	
CC(C)(C)NS(=O)(=O)CCNC(=O)NNc1ccccc1	734270087	OHEKHGWDMNQCGB-UHFFFAOYSA-N	314.411	1.031	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)cc1	830776369	HJYSVVVWLPPSTI-RRFJBIMHSA-N	312.373	1.696	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCC2=CCCOC2)c(F)c1	838592861	VQOPWOWBBMKZLQ-UHFFFAOYSA-N	323.324	1.585	50	20	DDGD	
CCOC[C@@H]1CCCCN1[C@H](C)C(=O)NNC(=O)CC(C)C	839182649	KQGPNKBHUHJDON-KGLIPLIRSA-N	313.442	1.459	50	20	DDGD	
COc1cc(C(=O)NN(C)C[C@@H](C)O)ccc1OC1CCCC1	910169953	HCTKDHLNCSIZPO-GFCCVEGCSA-N	322.405	1.974	50	20	DDGD	
CCc1cccc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)n1	838261477	HWUFSYIJJGQFMK-NSHDSACASA-N	321.377	1.383	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=Cc1ncnn1CC	848400877	PZDMCGBPNIKQKU-UHFFFAOYSA-N	301.350	1.390	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccccc1OCc1ccncc1	910173588	NIIFIGPLCIUTRC-ZDUSSCGKSA-N	315.373	1.618	50	20	DDGD	
COc1ccccc1C(=O)NN=C(C)C[C@@H]1CCCC(=O)N1	841623523	MRBWWVUHHCZUEL-LBPRGKRZSA-N	303.362	1.860	50	20	DDGD	
CS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2ccoc2)cc1	743806162	LCGZSDDBXLOHLQ-UHFFFAOYSA-N	323.330	1.150	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)Cc1cc(F)ccc1Br	910160730	NJSJBQUXTLJNDF-QMMMGPOBSA-N	319.174	1.475	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1ccc(N2CCOCC2)cc1	842553471	HNJQKRXAQLTBSS-BBRMVZONSA-N	317.389	1.398	50	20	DDGD	
O=C(NC[C@@H]1CCCNC1)NNc1ncnc2ccsc12	841928989	WKHQTHAIEXVVRW-SECBINFHSA-N	306.395	1.317	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNc1cccnn1)C(=O)OC(C)(C)C	847429471	NHGKMVQNLMCJSJ-LLVKDONJSA-N	323.397	1.717	50	20	DDGD	
CC(=O)N[C@@H](C(C)=NNC(=O)C(F)F)c1ccccc1F	841631800	LDNNBPPFRTYIHG-NSHDSACASA-N	301.268	1.760	50	20	DDGD	
CS(=O)(=O)c1ccc(NNC(=O)[C@@H]2C[C@H]2C2CCC2)cc1	845854814	LLLFUSBHNUPNER-UONOGXRCSA-N	308.403	1.969	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)cc2s1	843658249	UCBDMPJJVUEUGW-GZMMTYOYSA-N	319.386	1.791	50	20	DDGD	
COC(=O)/C=C\c1ccc(C=NNC(=O)[C@H]2CCCCO2)o1	848412494	SPINUEAVJKREEY-HGJUCYOISA-N	306.318	1.485	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cc2cccc(F)c2o1	741923608	XCHVRXVCYIQBJE-UHFFFAOYSA-N	313.288	1.971	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc2c1=O)NC1CCCC1	744053913	DTMHJXWRARGSDK-UHFFFAOYSA-N	314.345	1.415	50	20	DDGD	
Cc1cnc2cc(C(=O)NNC(=O)CC(F)(F)F)ccn12	848371479	WMIONKSBEFSUQW-UHFFFAOYSA-N	300.240	1.356	50	20	DDGD	
CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843654568	RVGKVZPKLMCCBT-SNPRPXQTSA-N	320.389	1.725	50	20	DDGD	
CCN1CC[C@H](OC(=O)[C@@H](Br)C(C)(C)C)C1=O	849755786	BJQPZFUDFUGRBW-DTWKUNHWSA-N	306.200	1.960	50	20	DDGD	
COCCn1cc(C=NNC(=O)CNc2ccccc2F)cn1	743421621	CVKVYIXMHCNOHQ-UHFFFAOYSA-N	319.340	1.231	50	20	DDGD	
Cc1cc(OCC(=O)NNC(=O)[C@@H]2CCOC2)ccc1Cl	921200026	BQYDDAUCFAWVOO-SNVBAGLBSA-N	312.753	1.211	50	20	DDGD	
CNCCCNC(=O)NNC(=O)c1cccc2ccccc12	841914565	GMWMPOOSHNUVIE-UHFFFAOYSA-N	300.362	1.393	50	20	DDGD	
COc1ccnc(C=NNC(=O)[C@@H](C)CN2CCC(C)CC2)n1	842521134	CTJFYJBLYGXKOU-ZDUSSCGKSA-N	319.409	1.303	50	20	DDGD	
Cc1cc(=NC(=O)NNC(=O)c2ccccc2O)c(C)c[nH]1	757808340	UTOVDJSPDLGJSH-UHFFFAOYSA-N	300.318	1.292	50	20	DDGD	
CN(CC1=CCCOC1)C(=O)NNC(=O)c1ccc(C#N)cc1	852030005	XLJKPMNECARNGG-UHFFFAOYSA-N	314.345	1.191	50	20	DDGD	
O=C(NN=C1CCC[C@H](C2CC2)C1)[C@@H]1CN2CCC[C@@H]2CO1	853388026	YLWCSLTYTKOZSW-IMJJTQAJSA-N	305.422	1.922	50	20	DDGD	
C[C@H](CC(N)=O)C(=O)NNc1nc2ccc(Cl)cc2s1	856234772	HFSSFLAEBQZCMV-ZCFIWIBFSA-N	312.782	1.904	50	20	DDGD	
Nc1ccc(C(=O)NN=Cc2n[nH]nc2-c2ccccc2)cc1	755473761	ZQUAUWUTDWDTGP-UHFFFAOYSA-N	306.329	1.818	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1C1CCCC1)c1cccc(F)n1	856423450	UUCCRZIGMDNTLG-CYBMUJFWSA-N	320.368	1.389	50	20	DDGD	
CNC(=O)c1ccc(C=NNC(=O)OCC(F)(F)F)cc1	853432036	PEUKDMRQAVGCKZ-UHFFFAOYSA-N	303.240	1.669	50	20	DDGD	
C[S@](=O)C1(CNC(=O)NC[C@]2(C)C[C@@H]2Br)CC1	856853570	BOUIUMUVXRYSSA-UYDXONCASA-N	323.256	1.370	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H](C)CCN(C)C)c1C	853543348	VPOLTYSLMDGCNB-LLVKDONJSA-N	322.409	1.748	50	20	DDGD	
C[C@]1(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H]1Br	857249142	BXXQKUIVLRLGEI-PSASIEDQSA-N	302.128	1.826	50	20	DDGD	
O=C(CCC[C@H](O)c1ccccc1)NNC(=O)[C@@H]1CCCCO1	854682420	AMCLOGWFQPOYMH-GJZGRUSLSA-N	320.389	1.607	50	20	DDGD	
O=C(NN=C[C@@H]1C[C@@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)C1	755620198	DYIIXGTUPUFVIQ-HZSPNIEDSA-N	306.387	1.327	50	20	DDGD	
CCOCCn1cc(C(=O)NNc2nccnc2C(C)C)cn1	857193619	ULGCYIROEBKYMG-UHFFFAOYSA-N	318.381	1.590	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H]2C=C[C@H](CO)C2)C[C@H]1Br	856840630	SFJAYZWXWQDKPZ-BTQIBKBOSA-N	303.200	1.396	50	20	DDGD	
N#Cc1ccc(CCC(=O)NNC(=O)OCC(F)(F)F)cc1	856025662	ZMYKHENNEVVAJU-UHFFFAOYSA-N	315.251	1.811	50	20	DDGD	
COC(=O)NC1CCN(C(=O)NCCSSC)CC1	852315882	YOBQWVGHFMTMFC-UHFFFAOYSA-N	307.441	1.528	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccc(Cn2cccn2)cc1	756237776	LAMIAKWLDHRTDE-UHFFFAOYSA-N	313.361	1.884	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cnn(C(C)C)c2)cc1F	850704518	GMAQZWIKLNNOND-UHFFFAOYSA-N	319.340	1.993	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)c1cn[nH]c1)c1cccs1	858220784	NENXZEIRNOEOCI-UHFFFAOYSA-N	307.379	1.393	50	20	DDGD	
O=C(CC1C2CC3CC(C2)CC1C3)NNC(=O)c1cc[nH]n1	855354350	BEBYOEWPJYWGIQ-UHFFFAOYSA-N	302.378	1.633	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CCn3ccnc3C2)C[C@H]1Br	857385134	DRMIDZYEEBUZHQ-GIPNMCIBSA-N	312.211	1.735	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C=NNC(=O)c1cccnc1	853256161	SIROBDVHRDYMJM-GXTWGEPZSA-N	313.361	1.699	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc2nc(O)[nH]c2c1)C1CC1	855102097	GJMOCTGPZGDELO-ZETCQYMHSA-N	319.390	1.176	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)cc1F	856229538	NJKBSORVAWBUJD-SNVBAGLBSA-N	317.324	1.353	50	20	DDGD	
CN1N=C(C(=O)OC[C@H](CBr)C2CC2)CCC1=O	859482779	YUGRVUSZVAVEMN-VIFPVBQESA-N	317.183	1.559	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)N=c1cc[nH]cc1)C1CCCC1	852659398	RCDRGHZSVAMLAZ-CYBMUJFWSA-N	321.381	1.044	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)c2cnn(C)c2)cc1C	852537616	JQIGMVRUTJLZKW-UHFFFAOYSA-N	315.377	1.224	50	20	DDGD	
CCCn1nc(C)c(C=NNC(=O)[C@@H](C)OCCOC)c1C	755764918	UXOQVZRGMKLVCT-CYBMUJFWSA-N	310.398	1.412	50	20	DDGD	
Cn1nncc1NNC(=O)C1CC(OCc2ccccc2)C1	857271669	UXWKRWIFULYCEW-UHFFFAOYSA-N	301.350	1.254	50	20	DDGD	
O=C(NCCOCCF)NNC(=O)c1c[nH]c2ccccc12	852715750	WNVDGQFSMWXUJL-UHFFFAOYSA-N	308.313	1.098	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCCOC[C@@H]1CCOC1	752192804	AFGCGLRZIKJWSH-UWZYDCLUSA-N	318.348	1.902	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@]2(C)CCOC2)c1	754349945	AVHGMDYGRCGXDS-INIZCTEOSA-N	306.362	1.256	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(F)ccc1OC(F)F	757676092	FWMZUYISQXCSJX-UHFFFAOYSA-N	307.228	1.226	50	20	DDGD	
COC(=O)N(C)CCNC(=O)NNC(=O)Nc1ccccc1C	852662669	RHRWWAXEIIGMBQ-UHFFFAOYSA-N	323.353	1.029	50	20	DDGD	
CO[C@@H]1CCC[C@H](C(=O)NNC(=O)c2cccc(Cl)n2)C1	857324974	OPKJSELTJYITLI-VHSXEESVSA-N	311.769	1.701	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1nc(Cl)cs1	854284695	UUSKWXWDKQBUOA-UHFFFAOYSA-N	322.843	1.284	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)C1CC1	855104051	XYWBFISXELXDNL-KYTZWMPUSA-N	323.462	1.676	50	20	DDGD	
CC(C)(C)c1nnc(NC(=O)NNC(=O)c2cnccn2)s1	756156098	YSEZWTANSZRZBN-UHFFFAOYSA-N	321.366	1.092	50	20	DDGD	
CCn1nccc1C=NNC(=O)c1cc(OC)cc(OC)c1	753687901	ALAVXQWLXCOULU-UHFFFAOYSA-N	302.334	1.684	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1cc(CO)c(C)o1	866671109	KIQLOAXIDITRRM-UHFFFAOYSA-N	302.330	1.392	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cc2c(cc1C)OCO2	930766593	NAQHIPFZZYCTCE-UHFFFAOYSA-N	303.318	1.680	50	20	DDGD	
Cc1noc(CNC(=O)NNc2ncnc3ccsc23)n1	765824464	GXFMPIBUZBYFEQ-UHFFFAOYSA-N	305.323	1.209	50	20	DDGD	
CN1CCCC[C@H](CNC(=O)/C(C#N)=C/c2cnn(C)c2)C1	862795310	JMVBILYBIJFXON-BKNIFWKGSA-N	301.394	1.175	50	20	DDGD	
COc1cc(O)c(C=NNC(=O)NCc2ccco2)cc1OC	768360616	NPWUMIARLFXSNM-UHFFFAOYSA-N	319.317	1.836	50	20	DDGD	
C[C@@H](NNC(=O)c1ccccc1S(C)(=O)=O)C(F)(F)F	862306172	FTLXBVHKNOKVJG-SSDOTTSWSA-N	310.297	1.275	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCc1cccc(CO)c1	866841951	PWKSGNRAOHYMJS-UHFFFAOYSA-N	305.827	1.863	50	20	DDGD	
CCn1cc(C(=O)NNc2ccc(OC)cn2)c(C2CC2)n1	867644026	LKPYCHUQLOONRU-UHFFFAOYSA-N	301.350	1.941	50	20	DDGD	
COCCOCC(=O)NNC(=O)C(C)(C)Cc1ccccc1	869910430	SHNHOGHMGBSRKJ-UHFFFAOYSA-N	308.378	1.066	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(C=NNC(=O)c2cn[nH]c2)C1	863153862	GCHUHGWWNHOORM-ABAIWWIYSA-N	319.365	1.382	50	20	DDGD	
CCNC(=O)NN=Cc1ccc(OC)c(O)c1Br	761013805	UGELDENSDSIDEC-UHFFFAOYSA-N	316.155	1.816	50	20	DDGD	
COC[C@@H]1CCCN1NC(=O)/C(C#N)=C\c1ccc(F)cc1	862603763	UKWJLCKOBKECPZ-CTXBLAANSA-N	303.337	1.875	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H](O)[C@@H](C)c2ccccc2F)n1	864688860	AQJCIBSXMCNFRM-FZMZJTMJSA-N	318.352	1.840	50	20	DDGD	
O=C(CCCOC1CCOCC1)NNC(=O)c1ccccc1F	864444360	BYJBICPVWWWSSI-UHFFFAOYSA-N	324.352	1.563	50	20	DDGD	
CCCN(NC(=O)[C@@H](CC)NC(C)=O)C(=O)OC(C)(C)C	868289015	IADFCIPBLKFULC-LLVKDONJSA-N	301.387	1.579	50	20	DDGD	
CC1(C)CCC(C=NNC(=O)Cc2cc(O)nc(O)n2)CC1	764698675	KWBQZFPXVZSGLN-UHFFFAOYSA-N	306.366	1.749	50	20	DDGD	
COCc1ccc(C(=O)NNC(=O)NCC(F)(F)F)cc1F	868028333	WEOTWLBGQSCUJH-UHFFFAOYSA-N	323.246	1.478	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2coc(C3CCC3)n2)c1	766607723	DVJJDPNPCQULLL-UHFFFAOYSA-N	310.313	1.889	50	20	DDGD	
CCCC(=O)N1CCCC[C@H]1C(=O)NN=c1cc[nH]c(C)c1	862511499	RLKMWKGLPNMRDY-AWEZNQCLSA-N	304.394	1.436	50	20	DDGD	
O=C(CCc1cncc2ccccc12)NNC(=O)c1ccc[nH]1	765332070	IMQZATHTKQBDJX-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
COCC(=NNC(=O)CCCNC(=O)OC(C)(C)C)C1CC1	763378520	HABRMTWKPOPRTP-UHFFFAOYSA-N	313.398	1.820	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc(N2CCOCC2)c1	878385160	MYZGQNMJBQIIML-UHFFFAOYSA-N	308.382	1.138	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(OC)c(NC(C)=O)c1	878131953	GHNDFFLPXHKXHB-UHFFFAOYSA-N	310.354	1.268	50	20	DDGD	
CCOc1cccc([C@@H]2C[C@@H]2NC(=O)NNC(=O)C(C)C)c1	775774398	PWTHWKPBIUIOQM-KBPBESRZSA-N	305.378	1.928	50	20	DDGD	
CCOc1ccc(C(=O)NN=C(C)c2cn(C)cn2)cc1OC	872334901	PQUBPAKRXROBIP-UHFFFAOYSA-N	316.361	1.981	50	20	DDGD	
COC(=O)c1ccccc1CC(=O)NNC(=O)C1CCCC1	775657948	DOAWZNJWSLNAKY-UHFFFAOYSA-N	304.346	1.353	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)C2CCNCC2)c(C)cc1C	1118017039	MITQQVAUFDYZRM-UHFFFAOYSA-N	320.393	1.464	50	20	DDGD	
C[C@]1(CNC(=O)CCc2cnc(N)s2)C[C@@H]1Br	876983996	BSDLSBCZTLYYIU-GZMMTYOYSA-N	318.240	1.948	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1	779888398	HVVPBHMAABLQTP-UHFFFAOYSA-N	312.333	1.016	50	20	DDGD	
Cn1cnnc1COCC(=O)NNc1cc(Cl)ccc1F	871269630	HISDJZKKJMLGKR-UHFFFAOYSA-N	313.720	1.268	50	20	DDGD	
O=C(CO)NN=Cc1ccccc1OCc1cn2ccccc2n1	776777825	PCIUNDDLZREOAQ-UHFFFAOYSA-N	324.340	1.356	50	20	DDGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)[C@H]1CCc2c[nH]nc2C1	771591897	GTIFAHXYOSPDLS-QMMMGPOBSA-N	319.296	1.705	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CNC(=O)C(C)(C)C	777772394	VWZKHKRLAZFTAU-UHFFFAOYSA-N	307.350	1.079	50	20	DDGD	
CN(C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)CCCCl	882008854	YGWFPEIORIDBQW-UPJWGTAASA-N	324.874	1.129	50	20	DDGD	
O=C(NC[C@H]1C=CCC1)NNc1ncc(Br)cn1	883784229	PJASMWDKYCXASC-QMMMGPOBSA-N	312.171	1.831	50	20	DDGD	
CC(C)(C(N)=O)N1CCN(C(=O)c2cccc(CCl)c2)CC1	1120614844	DUJGSWNYVQFTQQ-UHFFFAOYSA-N	323.824	1.447	50	20	DDGD	
CC[C@H]1CCCCC1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	779770983	NNDFPYLLKYDAJV-WDEREUQCSA-N	301.412	1.429	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(C(C)=O)c(C)nc1C	777241060	SYXPXKJAAUPZRJ-UHFFFAOYSA-N	306.366	1.645	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)c1ccnc(-n2cncn2)c1	778447782	JHIMJUDZEVIVMV-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
N#CC1=CCN(CC(=O)NCCCOC2CCCCC2)CC1	779588372	YZDMNIGYZAEXJA-UHFFFAOYSA-N	305.422	1.998	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NN=Cc1cnn(C)c1	773094931	TUODOVYBKHSIIX-SNVBAGLBSA-N	306.753	1.991	50	20	DDGD	
Cc1cccc([C@@H](C)NC(=O)NNC(=O)c2cccnn2)c1C	883421616	QSHCSMMVKXKOLN-GFCCVEGCSA-N	313.361	1.799	50	20	DDGD	
CSc1cc(NC(=O)NNC(=O)CC(F)(F)F)ncn1	888955852	AXNYIHLKXKDFSN-UHFFFAOYSA-N	309.273	1.304	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCCO[C@@H]1CCCCO1	882211876	JGPGXBCCFJMBDC-LLVKDONJSA-N	313.847	1.714	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@@H]1C1CCCC1)c1cccnn1	883850265	UKVLZIAPWLFGLB-CYBMUJFWSA-N	303.366	1.486	50	20	DDGD	
CN(C)C(=O)[C@@H]1CCC[C@H](NS(=O)(=O)CCCCl)C1	881899680	CLBBQVGDIMVAKK-MNOVXSKESA-N	310.847	1.182	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC(C)C)c(OCC2CC2)c1	788502413	VUJXIQWHMOWCLC-UHFFFAOYSA-N	321.377	1.836	50	20	DDGD	
CO[C@H](CNC(=O)NNc1ccc(C#N)cn1)C1CCCC1	889371243	KDDPNJMEHBHDLF-CYBMUJFWSA-N	303.366	1.785	50	20	DDGD	
CCc1ccccc1NC(=O)C(=O)NNc1ncncc1Cl	782159186	OLQKHNYNLRIRDP-UHFFFAOYSA-N	319.752	1.774	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H](C)Cc2cccnc2)n1	898327088	ZWAAJCHDOBPUSK-LBPRGKRZSA-N	313.361	1.360	50	20	DDGD	
COc1cccc(NNC(=O)Nc2ccc(OC)nc2OC)n1	780533544	ZSXGBNCMALJXKD-UHFFFAOYSA-N	319.321	1.651	50	20	DDGD	
COc1cccc(NNC(=O)Nc2ccc(C)c(C(N)=O)c2)n1	780548137	SQSVKCJNJIGGLQ-UHFFFAOYSA-N	315.333	1.646	50	20	DDGD	
CO[C@H](C(C)=NNC(=O)N1CCN(C)CC1)c1ccccc1	782281245	CNXKUXWNPRBYHI-OAHLLOKOSA-N	304.394	1.707	50	20	DDGD	
Cc1cc2cc[nH]c2cc1NC(=O)C(=O)NNc1ccccn1	782119059	ZHVGEOLDONZKKV-UHFFFAOYSA-N	309.329	1.953	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)[C@H](OC)c1ccccc1	782243288	SYMRUEHNWHYUSW-HIFRSBDPSA-N	308.378	1.918	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cn2cc(C)ccc2n1	789022794	FLIMTRQAEHPSFP-GFCCVEGCSA-N	304.350	1.144	50	20	DDGD	
COCCN(CC(=O)OC)C(=O)[C@@H](Br)C(C)(C)C	781086437	GSMRZHDWPAJFGN-SNVBAGLBSA-N	324.215	1.444	50	20	DDGD	
COc1ccc(C=NNC(=O)C(=O)Nc2ccc(C)cc2)cn1	780202229	TWGCCKBWTZFDFF-UHFFFAOYSA-N	312.329	1.487	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cc2c(Cl)cncc2s1	896128522	KKYXFGRGSJATEJ-UHFFFAOYSA-N	312.782	1.272	50	20	DDGD	
CN1CCOc2ccc(C(=O)NNC(=S)NC(C)(C)C)cc21	899995681	AGMNSPHPIGMJNP-UHFFFAOYSA-N	322.434	1.423	50	20	DDGD	
COc1cc2c(cc1OC)C(=NNC(=O)c1cc(C)[nH]n1)CC2	794525039	SLKVIJLHMYWVCU-UHFFFAOYSA-N	314.345	1.816	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)Nc1cncc(F)c1	799236236	WKLOAURYBPUNBW-UHFFFAOYSA-N	322.271	1.592	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41	792854343	WTYWWQGIUWAIMK-NYNCCYJMSA-N	311.385	1.180	50	20	DDGD	
Cc1cc(Br)ccc1C(=O)N1CC[C@H](B(O)O)C1	585069349	NKUPKEWVAOSKPW-VIFPVBQESA-N	311.972	1.446	50	20	DDGD	
Cc1cnc(COCC(=O)NNC(=O)c2cccc(Cl)c2)o1	794766849	LUCMSFZLELSKOE-UHFFFAOYSA-N	323.736	1.614	50	20	DDGD	
Cc1cc(C(=O)NNc2cccc(S(C)(=O)=O)c2)ccn1	790013598	GMPOCPZSEVLWIJ-UHFFFAOYSA-N	305.359	1.550	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cncnc2C)cc1C	1319024875	HCJJZFMTTGAGBR-UHFFFAOYSA-N	314.345	1.242	50	20	DDGD	
CC(C)CSCCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	1325975362	JNXMZSKKVVBCLO-MNOVXSKESA-N	303.428	1.131	50	20	DDGD	
O=C1OC[C@H]2CN(C[C@@H](CBr)C3CC3)CCN12	1328757048	VTGMEVWSDNGDNW-GHMZBOCLSA-N	303.200	1.544	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc3n(n2)CCCC3)cc1	1325116571	CRMVGYUTARLJMZ-UHFFFAOYSA-N	314.345	1.303	50	20	DDGD	
CCCc1n[nH]cc1C(=O)NNc1cccc(C(=O)OC)c1	1320514662	YCMKSKOPXIBMSX-UHFFFAOYSA-N	302.334	1.906	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)c2cncn2-c2ccccc2)o1	1322961527	IMXOWJZRPLZQDM-UHFFFAOYSA-N	324.340	1.777	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H](C)[C@@H]1CCC(=O)N1)c1ccccc1	1334998105	YLOUMBVEAFTBPJ-XBFCOCLRSA-N	317.389	1.242	50	20	DDGD	
O=C(CCCn1cccn1)NNC(=O)c1ccccc1Cl	1337965814	BHJLITBJXGSOKN-UHFFFAOYSA-N	306.753	1.778	50	20	DDGD	
CC[C@H](NCc1cccc(B(O)O)c1)c1cc(F)ccc1OC	1333866306	DDQVHQLESJURCN-INIZCTEOSA-N	317.169	1.755	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)COc1ccc(C)cc1	1335987223	RMJFKHFBYSMKIC-ZIAGYGMSSA-N	306.362	1.336	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H](F)CC)cc1	1335396473	GVZAISDIASBYAQ-MFKMUULPSA-N	312.341	1.748	50	20	DDGD	
CC1(C)CC(=NNC(=O)C[N+](C)(C)C)c2cc(O)ccc2O1	1347622989	TUYMROLPAQRVTK-UHFFFAOYSA-O	306.386	1.480	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2ccccc2N2CCCC2)N1	1261833477	ZNMCDNCDVVQGOE-CYBMUJFWSA-N	300.362	1.016	50	20	DDGD	
COc1ccc(NNC(=O)NCc2cccc3c2OCC3)nc1	1344555419	FRVYOHOYKHTGRH-UHFFFAOYSA-N	314.345	1.851	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N2CCN(C)CC2)cc1CC	1347720514	QTULDMQUQQNSFF-UHFFFAOYSA-N	318.421	1.413	50	20	DDGD	
CN(C)[C@]1(C(=O)NCC(Cl)Cl)COc2ccccc2C1	1347065766	KFBKLULDNLOSCN-AWEZNQCLSA-N	317.216	1.842	50	20	DDGD	
O=C(NN=CCCc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1	1344744680	NRUNLUSFMOHTEL-GFCCVEGCSA-N	312.366	1.295	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)[C@@H]1CN2CCN1C[C@H]2C	1347387519	AREHZEJFZFDKIN-RISCZKNCSA-N	308.813	1.480	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc(-c3nn[nH]n3)cc2)n1	1605651472	RATDDJYMUSZAMU-UHFFFAOYSA-N	310.321	1.030	50	20	DDGD	
C[C@@H](Oc1cccnc1)C(=O)NNc1ccc(CC(=O)O)cc1	1604449806	VUIBDPMMCWMKKQ-LLVKDONJSA-N	315.329	1.619	50	20	DDGD	
C[C@H](Oc1cccnc1)C(=O)NNc1ccc(CC(=O)O)cc1	1604449808	VUIBDPMMCWMKKQ-NSHDSACASA-N	315.329	1.619	50	20	DDGD	
O=C(O)c1cc(NNC(=O)c2ncc3ccccn23)ccc1F	1608856820	RTKKVRPDOWFBDI-UHFFFAOYSA-N	314.276	1.929	50	20	DDGD	
CO[C@H](C(=O)NNc1cccc(F)c1C(=O)O)[C@H]1CCOC1	1606650792	NWSFTANNGHWDKJ-UFBFGSQYSA-N	312.297	1.019	50	20	DDGD	
O=C(NNc1cccc(F)c1C(=O)O)c1cnn2c1CCCC2	1601560840	BJNCHYCPAYAAMR-UHFFFAOYSA-N	318.308	1.814	50	20	DDGD	
O=C(O)[C@@H]1C[C@@H]1CNS(=O)(=O)c1ccc(CCl)cc1	1602193641	RKHYJYIDIIBQHM-MWLCHTKSSA-N	303.767	1.424	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(C(=O)O)cc1OC	1609902207	USEOPBSRNDYEQO-MRVPVSSYSA-N	309.322	1.592	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)COc2ccsc2)cc1	1602127694	WIDBMVMTHLNXMB-UHFFFAOYSA-N	306.343	1.897	50	20	DDGD	
CO[C@H](C(=O)NNc1cccc(C(=O)O)c1)c1ccc(O)cc1	1610221225	BKIWJDJPTOZEEE-AWEZNQCLSA-N	316.313	1.921	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1ccc(C)nc1O	1610287985	SGHUNKNKHCSAFM-UHFFFAOYSA-N	317.301	1.559	50	20	DDGD	
COC(C)(C)CC=NNC(=O)[C@H]1CCCO[C@@H]1c1ccnn1C	1549319840	LWQSRQDTBPBBCT-JSGCOSHPSA-N	322.409	1.805	50	20	DDGD	
Nc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c(Cl)c1	1549319383	HRAALPXOBJMVDV-OCCSQVGLSA-N	322.796	1.236	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)[C@H]2CCCNC2)CCc2ccccc21	1576349718	HBHWJIGQUJLQKP-SUMWQHHRSA-N	301.390	1.038	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@]23C[C@H]2CCCN3)c1	1579673231	ZPSDKCHOZANBOW-WBMJQRKESA-N	318.446	1.763	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C[C@@H](N)C(C)(C)C)cc1	1579228528	PWWRUMYVTLVJOT-GFCCVEGCSA-N	308.382	1.611	50	20	DDGD	
NC[C@@H]1Cc2ccccc2N(S(=O)(=O)CCCCl)C1	1580273341	JXYQKSWINMGLTC-NSHDSACASA-N	302.827	1.583	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(-c3nn[nH]n3)ccc2C)cc1	1591617443	LKDWTAPYIRXALY-UHFFFAOYSA-N	324.344	1.941	50	20	DDGD	
COc1coc(C(=O)NNc2ccc(F)c(C(=O)O)c2)cc1=O	1599727514	FPMLQAGAGNLQHF-UHFFFAOYSA-N	322.248	1.243	50	20	DDGD	
CCOCC(=O)NNc1cc(C(=O)O)ccc1Br	1596860500	FHQALLBNZMDJJH-UHFFFAOYSA-N	317.139	1.627	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@]2(C(=O)O)C[C@H]2C)c1	1594351987	PJLJUASFRXIZRI-BMIGLBTASA-N	321.402	1.732	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNc1ncccc1C(=O)O	1594443381	WYPHWGLZTGBVAM-MRVPVSSYSA-N	317.349	1.757	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=Cc1ccc(O[C@@H](C)C(=O)O)cc1	1776102287	LSDTZRQFUVSAJZ-ZLKJLUDKSA-N	320.345	1.414	50	20	DDGD	
COC(=O)NN=Cc1cc(C(=O)O)cc(Br)c1O	1776011863	VHJIHRPERABWEC-UHFFFAOYSA-N	317.095	1.543	50	20	DDGD	
O=C(NN=Cc1c[nH]c2c(C(=O)O)cccc12)c1ccc(O)nc1	1776094855	PKLBZOIOPMRWFL-UHFFFAOYSA-N	324.296	1.731	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl)C(=O)C1CC1	1796803974	FZEVZTZQZNFTEW-DTHBNOIPSA-N	316.760	1.138	50	20	DDGD	
Cn1c(=O)oc2c(C(=O)NNC(=O)c3ccccc3)cccc21	155009832	FBLMQIMOGHSQHQ-UHFFFAOYSA-N	311.297	1.206	50	20	DDGD	
Cc1nccn1C[C@H](C)CNC(=O)NNc1ccc(Cl)nn1	157456069	YBNHTDXBTQJENQ-SECBINFHSA-N	323.788	1.597	50	20	DDGD	
CC(C)n1nccc1C(=O)NNC(=O)Cc1ccc(F)cc1	154635948	NVGABCUMVVBKRE-UHFFFAOYSA-N	304.325	1.607	50	20	DDGD	
CSSCCNc1ccc(S(N)(=O)=O)cc1C(=O)O	397887247	NYQXYNJXZHQODH-UHFFFAOYSA-N	322.433	1.455	50	20	DDGD	
COCCCC(=O)NNC(=S)Nc1ccc(N(C)C)cc1	105510243	DBXZYPWCJSWRTD-UHFFFAOYSA-N	310.423	1.497	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)Cn1nc(C)cc1C)c1ccccc1	56117521	UWROZABWVIFOSY-XFXZXTDPSA-N	312.373	1.751	50	20	DDGD	
CC(=O)c1cccc(OCCCC(=O)NNC(=O)NC2CC2)c1	58861883	GLJIVNDRIMJUMS-UHFFFAOYSA-N	319.361	1.541	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCn2cccn2)cc1C	119960283	CNZBLGNKNQZMNT-UHFFFAOYSA-N	316.361	1.116	50	20	DDGD	
CC(=O)c1csc(C(=O)NNC(=O)CNc2ccccc2)c1	106902811	ITUOJLCJPSRSHK-UHFFFAOYSA-N	317.370	1.824	50	20	DDGD	
O=C(NC[C@H]1CCOC1)NNC(=O)c1cccc2ncccc12	106545362	ALYPXSHJLRFWFS-LLVKDONJSA-N	314.345	1.215	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cc2cc(F)ccc2o1	117651780	IVWHVASEINMYFB-UHFFFAOYSA-N	313.288	1.971	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)Cc1ccc2c(c1)OCCO2	28716788	KSIIFSMMJGVPSU-UHFFFAOYSA-N	323.418	1.294	50	20	DDGD	
Cn1cc(CC(=O)NNC(=O)c2cc3ccccc3cc2O)cn1	171239006	YPVUNZZBQGQSOG-UHFFFAOYSA-N	324.340	1.283	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@H]2C[C@H]2C2CC2)o1	175869980	JCBRSYIGMLBGHL-KBPBESRZSA-N	319.405	1.929	50	20	DDGD	
CCc1ncc(C(=O)NNC(=O)NCCc2cccs2)s1	65198000	BTHYNGUSCVLPNJ-UHFFFAOYSA-N	324.431	1.954	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cccn2C)c1C	68731636	SADCMLCSMUKHHP-ZDUSSCGKSA-N	315.373	1.870	50	20	DDGD	
C[C@@H](Cc1cccs1)NC(=O)NNC(=O)c1cnn(C)c1	117958603	NPEFYPAKJZGDCE-VIFPVBQESA-N	307.379	1.057	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnn(-c2ccccc2)c1	72777790	OWKVNLODCWRCSW-UHFFFAOYSA-N	301.375	1.167	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNc2ncnc3nc[nH]c23)[nH]n1	174961447	PWNXOINVHAXRFQ-UHFFFAOYSA-N	300.326	1.130	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC[C@H]1CCCO1)c1ccccc1	68446465	FSXXOADBQSKDJZ-KGLIPLIRSA-N	305.378	1.690	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COCCN1C1CCCC1)c1ccccc1	188400121	IXUZBBCTUWEEJY-HNNXBMFYSA-N	317.389	1.091	50	20	DDGD	
CCCCSCC(=O)NNC(=O)[C@H]1COc2ccccc2O1	24551348	OQQGOJJPHHGNFR-CYBMUJFWSA-N	324.402	1.507	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1C[C@H]1c1c(F)cccc1F	116195004	QPLABLZAILJKCY-BDAKNGLRSA-N	320.299	1.561	50	20	DDGD	
CCN(C)[C@H](C(=O)NNC(=O)NCCCOC)c1ccccc1	68308025	HMHFQDCQADRMEH-AWEZNQCLSA-N	322.409	1.046	50	20	DDGD	
CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NNc1ccc(F)cc1	120601846	HTTXNMSORHXPJA-LLVKDONJSA-N	317.386	1.233	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cc(C2CC2)[nH]c(=O)c1	186209917	ZDVRWLLSAWTSHV-UHFFFAOYSA-N	314.301	1.917	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)[C@H]1CC(=O)Nc2ccccc21	66573308	JJLURKQRYZNQNI-LBPRGKRZSA-N	303.362	1.696	50	20	DDGD	
CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NNc1ccc(F)cc1	183644015	LZSPMKWNYPUMLN-JTQLQIEISA-N	321.274	1.972	50	20	DDGD	
Cc1cc(C(=O)NNc2nnc(-c3ccccn3)s2)[nH]n1	188175739	NCSHUGXDBANOCX-UHFFFAOYSA-N	301.335	1.389	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2cc[nH]n2)c(C)n1C1CC1	186139564	XQQPUTWCCVMSIP-UHFFFAOYSA-N	301.350	1.167	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)Cc2cccnc2)CC(C)(C)O1	187976477	AXHWYOVAELGEEY-UHFFFAOYSA-N	320.393	1.254	50	20	DDGD	
C[C@H]1CCSCCN1C(=O)NNC(=O)c1ccc(C#N)cc1	189783817	HHECUIQKSXITKA-NSHDSACASA-N	318.402	1.740	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1ccn(CC(F)(F)F)n1	183314790	PUNDVXBKSOVHEE-UHFFFAOYSA-N	316.243	1.240	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cn3cccnc3n2)cc1	126820114	LQGUCENZOTYEAY-UHFFFAOYSA-N	309.329	1.367	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccccc1)c1ccc(Cl)nc1	72971624	CAAYWNVVXCWCQX-GFCCVEGCSA-N	305.721	1.230	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C(=O)NNc2ncc(F)cn2)c1C	123321304	CILNOKMAOVRAAY-UHFFFAOYSA-N	321.312	1.494	50	20	DDGD	
O=C(NNc1nccnc1Cl)[C@@H]1OCCc2ccccc21	123819753	OOOXFHGZIUCESW-LLVKDONJSA-N	304.737	1.887	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@H]1COc2ccc(Cl)cc2C1	122682517	VBNGMYNHDWAWSQ-SECBINFHSA-N	322.727	1.964	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NNC(=O)c1cccnc1	184522235	HCFNBNOPALNSTH-JSGCOSHPSA-N	305.378	1.828	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNC(=O)CCc1ccccc1O	182724968	CCUHYVLLNJHGJI-GFCCVEGCSA-N	308.378	1.535	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F	181955310	FBDBPCMLOKLMBR-UHFFFAOYSA-N	318.255	1.836	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O	182517847	XMRNJZUWIHXZFZ-HTQZYQBOSA-N	320.246	1.121	50	20	DDGD	
CCCSCC(=O)NNC(=S)NCCc1cccs1	49087580	QCKBMDWVMMLQCW-UHFFFAOYSA-N	317.505	1.929	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@H]1CCc2cn[nH]c2C1	80167287	AKCFHIFXTIDVAF-NSHDSACASA-N	316.336	1.044	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)Cc1cccc(F)c1F	88281346	KSLFTMSIYIYHHR-UHFFFAOYSA-N	319.311	1.767	50	20	DDGD	
CC(C)COCCCNC(=O)NNc1ccc(Cl)nn1	48852948	FNBBHZCIPRUWBH-UHFFFAOYSA-N	301.778	1.819	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(F)cc2cccnc12	132071070	UNVOFPBPJREOJN-UHFFFAOYSA-N	313.292	1.929	50	20	DDGD	
CN(CC(=O)NNc1nc2ccccn2n1)Cc1ccccc1	191884844	CRJOBAIWQVBLLU-UHFFFAOYSA-N	310.361	1.304	50	20	DDGD	
O=C(CCOC1CCOCC1)NNc1ncnc2ccsc12	132577675	ZATZDVOOFGBUSF-UHFFFAOYSA-N	322.390	1.720	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1	194002473	SBBUUIOOCTYJBQ-UHFFFAOYSA-N	313.269	1.239	50	20	DDGD	
COc1nccnc1NNC(=O)CNc1c(C)cccc1C	132163571	DMDQCFIKIQZIBB-UHFFFAOYSA-N	301.350	1.657	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ncc(C(C)C)s2)[nH]n1	192392591	PCCHGQMCQBVHAV-UHFFFAOYSA-N	308.367	1.765	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cccc(C(N)=O)c2)cc1	131457169	OLRXWXTULHIBTC-UHFFFAOYSA-N	312.329	1.176	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1ccc([N+](=O)[O-])c(O)c1	195220124	YGKXKVZIICPYCF-UHFFFAOYSA-N	307.306	1.642	50	20	DDGD	
CSSCCNC(=O)c1nn(C)cc1Br	294790461	VDAUVHXSUPBCEF-UHFFFAOYSA-N	310.242	1.924	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNc2ncnc3[nH]cnc23)cc1	97595087	LGCPMBNQKSFBNQ-UHFFFAOYSA-N	324.344	1.768	50	20	DDGD	
COc1cc(C=NNC(=O)c2cc(C)n[nH]2)cc([N+](=O)[O-])c1O	252589318	AIRHVYHMEPOSSC-UHFFFAOYSA-N	319.277	1.104	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)C[C@H]2CCCCO2)cc1	267935905	QXPXLVVISKMLMS-CQSZACIVSA-N	317.345	1.044	50	20	DDGD	
O=C(NNc1ccc(-n2cccn2)nn1)N[C@@H]1CCCSC1	267315290	MTTDSJAOSGHJRV-SNVBAGLBSA-N	319.394	1.184	50	20	DDGD	
COc1cccc(OCCCNC(=O)NNc2cccnn2)c1	265668332	CSESEHWNSHINBP-UHFFFAOYSA-N	317.349	1.580	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CCc2nccs2)cc1	263982476	BZGGNLUTQOAHEH-UHFFFAOYSA-N	318.402	1.644	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)CC2CCOCC2)cc1	265303949	GYNDCTXYJGYRAQ-UHFFFAOYSA-N	321.377	1.071	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNc1cc(C)nc(C)n1	276830841	QTCDEYCXGXCNFN-UHFFFAOYSA-N	301.350	1.952	50	20	DDGD	
CCOCCCC(=O)NNc1ncc(C(=O)OCC)c(C)n1	272217537	SRRCGQWTHYOCGF-UHFFFAOYSA-N	310.354	1.222	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@@H]1CCO[C@H](C)C1	271585759	ZAUDNZVMLNWERF-VXGBXAGGSA-N	321.377	1.454	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc2c(c1)C(=O)N(C)CC2	273417113	IQWREVAHDOEXDV-UHFFFAOYSA-N	318.377	1.514	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc2c(c1)NC(=O)CC2	276072499	SVTFPILDDCKMLG-UHFFFAOYSA-N	305.338	1.269	50	20	DDGD	
CN1CC[C@@H](N(C)C(=O)/C(C#N)=C\c2ccc(F)cc2)C1=O	273172430	HVRGDMSFPXECGZ-FWLQQBITSA-N	301.321	1.422	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)n1	272522511	KBLWTFUJPAOBTF-PWSUYJOCSA-N	305.382	1.199	50	20	DDGD	
CSC1(CNC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1	279877517	CLRJQUZDCQSKBQ-UHFFFAOYSA-N	324.362	1.434	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1	277580792	LXIHNAMOOSYNGG-ZGDCTCODSA-N	323.393	1.802	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2C[C@]23CCOC3)c(C)c1	373403884	AMIDLPVWNFSLJQ-GUYCJALGSA-N	317.389	1.289	50	20	DDGD	
CC(C)(C)[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cccc(F)n1	277168688	HOTZEMXJRCKDEO-CABZTGNLSA-N	324.356	1.825	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)[C@H]1C[C@]12CCOC2	375184735	RQDNZHJJNQWDMX-DYVFJYSZSA-N	313.357	1.215	50	20	DDGD	
C[C@@H]1CC=CC[C@H]1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	283917548	POWCGZRTPVZLNM-ZWNOBZJWSA-N	303.318	1.958	50	20	DDGD	
Cc1cccc(C(=O)NNC=C2C(=O)CC(C)(C)CC2=O)n1	280991847	MVXDCNQQBGKMBQ-UHFFFAOYSA-N	301.346	1.467	50	20	DDGD	
CSSCCNC(=O)N1CCOC[C@@H]1[C@@H]1CCCO1	376418966	DEUBFIJUIAQLJW-MNOVXSKESA-N	306.453	1.587	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@H]2CCO[C@@H](C)C2)n1	280282130	MVEXKLDSNMZRNB-RYUDHWBXSA-N	306.366	1.149	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NNC(=O)Nc1ccccc1	283767620	OKPPGONEIBIAEX-NSHDSACASA-N	307.354	1.066	50	20	DDGD	
CC(=O)N1CC(C(=O)NNc2cc(Cl)ccc2[N+](=O)[O-])C1	295908723	IJEYRISVWWPVJN-UHFFFAOYSA-N	312.713	1.170	50	20	DDGD	
Cc1ccc(NNC(=O)NCC(C)(C)c2ccccn2)nn1	296924938	PVYSRHCBKMFRTL-UHFFFAOYSA-N	300.366	1.784	50	20	DDGD	
C=CCC(C)(C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	292242643	OHIYMWZLNOONFN-ZDUSSCGKSA-N	304.346	1.576	50	20	DDGD	
C=C(CNC(=O)NNC(=O)CC(F)(F)F)c1ccccc1	807579415	SKCWELDOTYRSJI-UHFFFAOYSA-N	301.268	1.983	50	20	DDGD	
Cc1nc2c(C(=O)NNC(=O)[C@@H]3CC[C@H](C)O3)cccc2o1	293940196	PCNXWLXKSAQBMY-UFBFGSQYSA-N	303.318	1.465	50	20	DDGD	
O=C(NNc1ncncc1F)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	292969258	IFJTVQXWCTWOGE-IEBDPFPHSA-N	307.329	1.199	50	20	DDGD	
CC(C)C(=O)N[C@@H](CO)C(=O)NNc1ccc(Cl)c(F)c1	292372431	ZGRAGXXNHKIEJD-NSHDSACASA-N	317.748	1.055	50	20	DDGD	
O=C(COc1ccc([N+](=O)[O-])c(F)c1)NNC(=O)CC1CC1	294104160	JHTRXBYCRMUEKL-UHFFFAOYSA-N	311.269	1.060	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(-c2ccccc2OC)on1	804125053	BUXLKYKMEHVVRB-UHFFFAOYSA-N	305.290	1.693	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1ccc(Cl)c(F)c1	802026607	XPVBTRVGKRFDCZ-UHFFFAOYSA-N	308.700	1.763	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NC[C@H]1C[C@H]1C	298775863	ZFSCFIXZCRAWHR-OUAUKWLOSA-N	309.341	1.579	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)[C@H](C)Oc1ccccc1F)C1CC1	290967556	OGABKKHXILYZTI-QFYYESIMSA-N	324.352	1.556	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2cnn(C)c2C)cc1C	291250174	PHSVZKLDQRXOCW-UHFFFAOYSA-N	316.361	1.971	50	20	DDGD	
Cc1ccc2cc(C(=O)NNC(=O)[C@H]3CCCCO3)ccc2n1	295570936	NOUOAJYTACLWBS-OAHLLOKOSA-N	313.357	1.873	50	20	DDGD	
CNC(=O)NC1CCN(C(=O)c2cccc(CCl)c2)CC1	396885725	RPBKMAINQGZAER-UHFFFAOYSA-N	309.797	1.959	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1ccc(C)nn1)Cc1ccccc1	296577623	FCZJHJHPRJXQOH-CQSZACIVSA-N	315.377	1.669	50	20	DDGD	
COCCN(C)NC(=O)CC(C)(C)NC(=O)OC(C)(C)C	808071494	BNADJFNZTLATKG-UHFFFAOYSA-N	303.403	1.289	50	20	DDGD	
CC(C)O[C@@H](C(=O)NNC(=O)[C@@H]1CCCO1)c1ccccc1	292253135	XXCWOZJEXVJIRD-UONOGXRCSA-N	306.362	1.479	50	20	DDGD	
O=C(C[C@H]1CCCOC1)NNC(=O)Nc1cc(F)cc(F)c1	802000983	DHNHYQGGSLBSSS-SECBINFHSA-N	313.304	1.934	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)C(=O)c1ccc(O)cc1	806775194	SAAMUDNDPRYCOB-UHFFFAOYSA-N	324.296	1.768	50	20	DDGD	
COCCN(C)NC(=O)c1cnc2c(C)cc(F)cc2c1O	296925668	ASTMRNFVWYVNIJ-UHFFFAOYSA-N	307.325	1.611	50	20	DDGD	
COC(=O)C(C)(C)CCNC(=O)NNc1cccc(Cl)n1	293258268	FKUSWBRXQKDAKP-UHFFFAOYSA-N	314.773	1.950	50	20	DDGD	
Nc1c(C(=O)NNC(=O)Nc2ccccc2)cccc1[N+](=O)[O-]	801992981	KTZNITOIYHJJFO-UHFFFAOYSA-N	315.289	1.644	50	20	DDGD	
Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NNC(=O)[C@H]1CCCCO1	817454629	PZLHEFCLGAEALJ-CYBMUJFWSA-N	321.333	1.542	50	20	DDGD	
CN(NC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)C1CC1	819641424	WIPHOPOQAKDLIJ-UHFFFAOYSA-N	319.449	1.835	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CCCC1CC1	812545846	GEODYJBCIKTERO-UHFFFAOYSA-N	313.398	1.629	50	20	DDGD	
CC1(C)COc2c(C(=O)NNC(=O)c3ccnnc3)cccc21	817693266	LUZGLGDLXZNXEJ-UHFFFAOYSA-N	312.329	1.221	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCCCc1nc[nH]n1	819614072	GRWJUHIHUJEQKK-SECBINFHSA-N	303.204	1.663	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=Cc1c[nH]c(C(=O)O)c1	814750883	BZIZFMAMSXGMSQ-VIFPVBQESA-N	319.292	1.770	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C(C)c2c[nH]nc2C)c1	814737623	FWFDBPNHKFVLNC-UHFFFAOYSA-N	302.334	1.889	50	20	DDGD	
N#CCOc1cccc(NC(=O)NNc2ncncc2F)c1	814598391	JZPNXCBPJDKUGE-UHFFFAOYSA-N	302.269	1.667	50	20	DDGD	
Cc1c(C(=O)NNc2ncncc2F)cnn1-c1ccccn1	817079403	QBKVHLGJLGSOKI-UHFFFAOYSA-N	313.296	1.262	50	20	DDGD	
COc1cccc(NNC(=O)c2cc(C#N)cc(N(C)C)c2)n1	816014436	ZGDCUMSABSPHFV-UHFFFAOYSA-N	311.345	1.785	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCc1nc(N(C)C)no1	812220911	ZYUORRGAOIUGEC-UHFFFAOYSA-N	318.381	1.833	50	20	DDGD	
CN(C)CC(=O)NN=Cc1ccc(Br)cc1F	727649375	JFVXBNLKLOAWLQ-UHFFFAOYSA-N	302.147	1.600	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1cn(CC2(C)COC2)nn1	816629666	WTNUERMJLRBOLC-UHFFFAOYSA-N	307.181	1.190	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccc(-c2ccccc2F)o1	816770756	KSAUXHPBPFGJAE-UHFFFAOYSA-N	301.281	1.971	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)CCNC(=O)OC(C)(C)C)nn1	495842751	YBZNMEGZSWTLRH-UHFFFAOYSA-N	324.385	1.224	50	20	DDGD	
CN(NC(=O)Nc1ccc(F)c(N2CCCNC2=O)c1)C1CC1	824342841	GCEJZPLHOYXABJ-UHFFFAOYSA-N	321.356	1.876	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NNC(=O)C[C@@H]2CC[C@H]3C[C@H]23)c1	827148945	QVQRZDMNSHRACS-MJVIPROJSA-N	316.361	1.237	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNC(=O)COc1ccc(C)c(C)c1	820631315	YCJDMYDBDVOJJS-AWEZNQCLSA-N	317.389	1.815	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@H]1CCN(c2ccccc2)C1	822231252	HXMMUKGCUZXXCH-ZDUSSCGKSA-N	312.373	1.313	50	20	DDGD	
CCOC(=O)N1CCC(C(=O)NNc2ncccc2F)CC1	495691473	BJNBCKSNJZOYFA-UHFFFAOYSA-N	310.329	1.532	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCS[C@@H](c2ccccc2)C1	827854002	YLYFVAYXRWYUEF-CQSZACIVSA-N	321.446	1.580	50	20	DDGD	
COC(=O)CN(C(=O)/C(C#N)=C/c1ccc(O)cc1)C1CC1	490696568	PDMYRJXURZWSIN-XYOKQWHBSA-N	300.314	1.463	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)Cc1ccccc1OC1CCCC1	823917256	GJIDZSGPUUKMNB-ZDUSSCGKSA-N	306.406	1.894	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(Br)ccc1O	823977544	ZJRSSDABNHYNLA-ZETCQYMHSA-N	303.156	1.112	50	20	DDGD	
CSCCCCCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C	826537101	IGXZWEPCHNOPGJ-QWRGUYRKSA-N	303.428	1.275	50	20	DDGD	
COCC(CC(C)C)=NNC(=O)CNC(=O)OC(C)(C)C	494726898	RLTCIDCNEPNHCG-UHFFFAOYSA-N	301.387	1.676	50	20	DDGD	
O=C(CCCc1nn[nH]n1)NNc1ccc(C(F)(F)F)cc1	821159030	XFFAXUHUFXXYMD-UHFFFAOYSA-N	314.271	1.685	50	20	DDGD	
O=C(NC1CC(C2CCCCC2)C1)c1ccc(B(O)O)cc1	585004618	ITNZXZWFUHUPBJ-UHFFFAOYSA-N	301.195	1.455	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CO[C@H](C)C2)cc1C	828422619	VQQHAJDAFXWOIE-CHWSQXEVSA-N	321.377	1.190	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1cccc(-c2cccs2)c1	495408597	SLNRUCAZIIQBEE-UHFFFAOYSA-N	319.342	1.741	50	20	DDGD	
Cc1ccc(CN(C)C)cc1NCc1ccc(B(O)O)cc1F	585016651	ULALHZPNIGHARW-UHFFFAOYSA-N	316.185	1.488	50	20	DDGD	
CN(C)c1ncc(CNC(=O)[C@@]2(C)C[C@H]2Br)n1C	906667434	WFDFNMZAOYKSIM-SKDRFNHKSA-N	315.215	1.276	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H](Cc2ccccc2)C1	584941180	GPEGKMPWBJQLLG-INIZCTEOSA-N	323.201	1.461	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)c1cccc2ncccc12)C(C)C	491012691	DVPKTRNNUMZKDW-AWEZNQCLSA-N	310.357	1.837	50	20	DDGD	
CC(C)C[C@@H](CCO)CNC(=O)NNC(=O)OC(C)(C)C	493117058	YQINJZQDYXTXLW-LLVKDONJSA-N	303.403	1.770	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cc(C2CC2)on1	826448820	NLKSYWKWFVDIBC-UHFFFAOYSA-N	311.305	1.489	50	20	DDGD	
CCc1nc(O)c(C(=O)NNC(=O)CC(F)(F)F)cc1C	823368797	OZFHNYSNINNRLX-UHFFFAOYSA-N	305.256	1.371	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@@H](c2ccccc2F)C1	827772857	YIONBNVRXTWXFZ-GFCCVEGCSA-N	307.369	1.418	50	20	DDGD	
O=C(Cc1cccc(OC(F)(F)F)c1)N1CC[C@@H](B(O)O)C1	585064557	HPJLODITYYVNNP-SNVBAGLBSA-N	317.072	1.203	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@H]2CC23CCSCC3)c1	823100521	YOQLDTXQYNONOF-CYBMUJFWSA-N	315.398	1.853	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NN(C)C(=O)OC(C)(C)C)nc1	497060263	BROCOCDBTNFWBO-UHFFFAOYSA-N	323.349	1.770	50	20	DDGD	
C[C@@H](C1CC1)n1cc(NC(=O)NNC(=O)[C@@H]2CCCCO2)cn1	836546853	CXHKLIVRMLKHTN-GWCFXTLKSA-N	321.381	1.576	50	20	DDGD	
CN1C[C@@H](COC(=O)/C(C#N)=C\c2ccc(O)cc2)OC1=O	495663465	CSOUPTIKBMJCIH-GXJZLWQJSA-N	302.286	1.293	50	20	DDGD	
C[C@@]1(C(=O)NCCOCC(F)(F)F)C[C@@H]1Br	905835869	UUJOEWDBAIZIBR-POYBYMJQSA-N	304.106	1.855	50	20	DDGD	
CN(C)c1nccc(CNC(=O)[C@@]2(C)C[C@@H]2Br)n1	907221377	CARXHOOWFGMKIP-CABZTGNLSA-N	313.199	1.332	50	20	DDGD	
OB(O)c1ccccc1CN[C@H]1CCOc2c(F)ccc(F)c21	585042534	DTRJCRQBZXSNGY-AWEZNQCLSA-N	319.116	1.258	50	20	DDGD	
CCCCCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	736440267	BSEFZUKQOANMPP-UHFFFAOYSA-N	302.338	1.208	50	20	DDGD	
CC1CCN(c2ccc(C(=O)N3CC[C@@H](B(O)O)C3)cn2)CC1	585068483	BJZBULRTDBJUJH-CQSZACIVSA-N	317.198	1.007	50	20	DDGD	
Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NCC(Cl)Cl	837650505	DSHXZARCMSBAMQ-UHFFFAOYSA-N	315.178	1.077	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N(CCC(F)(F)F)CC1CC1	584961436	VIYQIWDIFCCTNQ-UHFFFAOYSA-N	315.100	1.171	50	20	DDGD	
COCC1(C(=O)NNC(=O)COc2cccc(C)c2)CCCC1	837310993	JSJJWKGDYZZPHW-UHFFFAOYSA-N	320.389	1.728	50	20	DDGD	
C=C(CBr)CN1CCC2(CCC2)S(=O)(=O)CC1	839656322	PBBMJQCCHBWPOS-UHFFFAOYSA-N	322.268	1.981	50	20	DDGD	
C[C@]1(C(=O)N[C@H]2CN(c3ccccc3)C2=O)C[C@@H]1Br	907288494	PLBVUVKALAOKSP-MJVIPROJSA-N	323.190	1.692	50	20	DDGD	
COC(=O)c1cc(OC(=O)C(C)(C)NC(C)=O)ccc1[N+](=O)[O-]	732652961	YHMPTHRVKCPNIT-UHFFFAOYSA-N	324.289	1.202	50	20	DDGD	
O=C(NCCCC1CCCCC1)c1cc(B(O)O)ccc1F	584929336	QQJKXYBAIJEKKC-UHFFFAOYSA-N	307.174	1.596	50	20	DDGD	
CC(C)(C)Oc1ccc(NCc2ccc(B(O)O)o2)cc1C#N	585043167	IIPMTRDGRNSBLO-UHFFFAOYSA-N	314.150	1.620	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)OCCCF)cc(-c2nn[nH]n2)n1C	737213341	RPIXWWAESWQHFF-WDZFZDKYSA-N	318.312	1.323	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2c[nH]c3ccccc23)CCCCO1	837315847	DBKGYHJTZNRDBU-INIZCTEOSA-N	301.346	1.888	50	20	DDGD	
Cc1nc2ccnn2c(C)c1CCC(=O)NNC(=O)CC(C)C	916739549	MNWDFOVOMCCISN-UHFFFAOYSA-N	317.393	1.472	50	20	DDGD	
O=C(NCCSC(F)(F)F)NNC(=O)[C@@H]1CCCCO1	836239101	LJXPRHAZQHMRSN-ZETCQYMHSA-N	315.317	1.139	50	20	DDGD	
CCC(C)(C)OCC(=O)NNC(=O)c1cccc(N(C)C)c1	837316227	IIHWPUCTVMYQTF-UHFFFAOYSA-N	307.394	1.719	50	20	DDGD	
CC(C)CCNC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1cnn(C)c1	837968555	DWOGHAKEIAGXFA-OBTCNRAFSA-N	318.377	1.421	50	20	DDGD	
Cc1cc(NNC(=O)NCCNC(=O)C2CC2)ccc1Cl	913898612	MOLYVYSQKLZOJX-UHFFFAOYSA-N	310.785	1.801	50	20	DDGD	
CO[C@H](C)CC(=O)NNC(=O)CCSc1ccc(F)cc1	749562382	FVHSELWTAKEHFR-SNVBAGLBSA-N	314.382	1.880	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)C1CN(C2CCCCC2)C1	837367652	TVPIDTNFORPNQN-UHFFFAOYSA-N	320.393	1.375	50	20	DDGD	
O=C(NC1CC1)OC[C@H]1CCCCN1S(=O)(=O)CCl	831576795	KDPQSAXYRIQFDJ-SNVBAGLBSA-N	310.803	1.256	50	20	DDGD	
N#CSCCCNS(=O)(=O)c1cc(F)c(F)c(F)c1	916979212	JMMCELQJWRSIPF-UHFFFAOYSA-N	310.322	1.987	50	20	DDGD	
CC(=NNC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(C)o1	916350054	QHEZZKGPNSPVII-UHFFFAOYSA-N	310.317	1.718	50	20	DDGD	
CNCCCNC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	841916072	YURLASDNHCOXPL-SNVBAGLBSA-N	324.450	1.426	50	20	DDGD	
CC(=O)Nc1c(C)cccc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843971638	DEFIZQCVILEFBD-PWSUYJOCSA-N	319.361	1.139	50	20	DDGD	
CC[C@H](C)n1nc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1C	843660636	KSWKGKAFNYUOOG-ZMLRMANQSA-N	308.382	1.349	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)OCCC2(O)CCC2)cc(C#N)n1C	840195811	DPOMPRWHOVLAJN-ZSOIEALJSA-N	313.357	1.960	50	20	DDGD	
CC(C)OC(=O)CCNC(=O)NNC(=O)CCc1ccccc1	749917492	COWCHXRBHSDNHY-UHFFFAOYSA-N	321.377	1.291	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@H](OC)C(F)(F)F)nc1	845889653	WULAQRGMKVBZSO-QMMMGPOBSA-N	321.255	1.279	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@H]1CCCN1c1ncccn1	848081436	YAYURLIXIOHLCH-SECBINFHSA-N	303.193	1.708	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1cc(C)c(O)c(O)c1	841638714	VFSVWXOJMXTVCT-UHFFFAOYSA-N	306.366	1.087	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1cccc2c1OC(F)(F)O2	840721570	YGZNIICOGUGAMQ-TWGQIWQCSA-N	316.285	1.764	50	20	DDGD	
O=C(CC1CC1)NNC(=S)N[C@@H]1CCOc2ccccc21	840764308	ROLDRPVUFYCNAS-GFCCVEGCSA-N	305.403	1.806	50	20	DDGD	
CCn1cc(CN(C(C)C)S(=O)(=O)CBr)cn1	846000450	RLMCYVVCLKFVJX-UHFFFAOYSA-N	324.244	1.796	50	20	DDGD	
CCC[C@H](C)C(CC)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	748249111	SAIVUKRLVUKXBV-WDEREUQCSA-N	303.428	1.675	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@@H]1CNCCC1(F)F	843421642	KHNCUGVYYSJHKY-JTQLQIEISA-N	323.303	1.425	50	20	DDGD	
CCn1ccc(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)n1	843872002	VUCYNJHBGKLNIF-UHFFFAOYSA-N	316.365	1.753	50	20	DDGD	
CCc1noc2ncc(C(=O)NNC(=S)NC(C)(C)C)cc12	918399878	STWKRZKBHMPJIN-UHFFFAOYSA-N	321.406	1.693	50	20	DDGD	
COc1ccnc(NNC(=O)Cc2ccccc2OC(C)C)n1	748711535	ORRKNJLPAGRRMD-UHFFFAOYSA-N	316.361	1.958	50	20	DDGD	
O=C(NCC1=CCNCC1)NNc1ncnc2ccsc12	841971824	MEFCMNKOGJSWBZ-UHFFFAOYSA-N	304.379	1.237	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1)[C@H](C)O	842236919	XHGDHCYNKCKJPK-DTWKUNHWSA-N	322.390	1.306	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H](C)[C@](C)(OC)C2CC2)n1	840416522	MMOOAUYXRAFRAH-XPTSAGLGSA-N	309.370	1.315	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)Nc1ccc(Cl)cc1	848044467	JFMSOYGAQRSVRT-NXEZZACHSA-N	310.741	1.004	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNC(=O)CNc1ccc(C)cc1	842224958	RJDSGHDCBOSOBU-CQSZACIVSA-N	307.394	1.615	50	20	DDGD	
C[C@]1(CN2C(=O)N[C@@H](CC(F)F)C2=O)C[C@@H]1Br	925005619	NHTUFUDDYKYOLY-JFWOZONXSA-N	311.126	1.736	50	20	DDGD	
CN(CCOCc1ccccc1)CC(=O)NNC(=O)C(C)(C)C	756899560	IXDMAWYWBDLIEW-UHFFFAOYSA-N	321.421	1.329	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C1(C#N)CC(C)C1	758151909	KWQQJYUACKDWQV-UHFFFAOYSA-N	317.345	1.161	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=Cc1ccc(O)c(F)c1	853407686	VOWBMYNIFYKCTA-UHFFFAOYSA-N	323.368	1.924	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)C=C1CCC1	755046332	FRSWDXKDPCXUQP-UHFFFAOYSA-N	312.373	1.856	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H]2COC[C@H]2C)cc1C	925992180	QEQLUDJHWQLEQB-OCCSQVGLSA-N	321.377	1.048	50	20	DDGD	
CCCOc1cccnc1C(=O)NNC(=S)N[C@H](C)C1CC1	855098046	ANOACDJKEVEOQG-SNVBAGLBSA-N	322.434	1.778	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)N[C@H]2CCCCC23CCCC3)N1	858479023	HICKGGMHRAZFCX-RYUDHWBXSA-N	322.409	1.098	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC12CCC2)[C@@H]1COc2ccccc2O1	759691253	VGIRRNVHNVSKHL-GWCFXTLKSA-N	302.330	1.164	50	20	DDGD	
Cc1cc(C#N)cnc1C(=O)NNC(=S)N[C@H](C)C1CC1	855097750	XJBWDQPQIVNKTI-SECBINFHSA-N	303.391	1.169	50	20	DDGD	
C=CC[C@H]1CCCCC1=NNC(=O)[C@@H](C)NS(C)(=O)=O	853303862	RWBADVBEAFORIY-MNOVXSKESA-N	301.412	1.163	50	20	DDGD	
Cn1cc(CNC(=O)NC[C@]2(C)C[C@@H]2Br)cn1	856826153	GZIBYHOOTBNJEJ-ONGXEEELSA-N	301.188	1.393	50	20	DDGD	
N#CC1=CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1	859221678	XEAMGMBWIUVTSJ-UHFFFAOYSA-N	305.337	1.442	50	20	DDGD	
CN1C(=O)CC[C@H]1CC(=O)NNC(=O)c1ccc(Cl)cc1	854148465	PROOAQKMCKUHQZ-NSHDSACASA-N	309.753	1.112	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)C(C)(C)c1ccccc1)C1CC1	859298106	HSKPLIHUBMMHGD-AWEZNQCLSA-N	304.390	1.927	50	20	DDGD	
COCCCNC(=O)NN=Cc1cnc(C)n1-c1ccccc1	755668614	OIENWNVZRAXZOH-UHFFFAOYSA-N	315.377	1.850	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H]2CCC[C@@H](N)C2)C[C@H]1Br	857103059	AYNIPHKPZWCDLU-DNRKLUKYSA-N	304.232	1.729	50	20	DDGD	
CSSCCNC(=O)NCc1cc(N(C)C)ccn1	922390820	XRKMHKJTCKTFNV-UHFFFAOYSA-N	300.453	1.958	50	20	DDGD	
CN(Cc1ccccc1[N+](=O)[O-])C(=O)NNC(=O)C1CCCC1	753338791	FMVCYGSOVQEJNV-UHFFFAOYSA-N	320.349	1.958	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cccc(C)c1F	854282065	BRZPQQKWXQXGHC-UHFFFAOYSA-N	313.398	1.622	50	20	DDGD	
C/C(=C\C(=O)NNC(=S)NCC1CCC1)c1cnccn1	855092871	SBMRPJZSQKLKKP-JXMROGBWSA-N	305.407	1.175	50	20	DDGD	
Cc1ccc(C)c(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c1	853387369	WAURUQIEWNGKHT-CVEARBPZSA-N	301.390	1.617	50	20	DDGD	
C=CCCn1cc(C=NNC(=O)CCOc2ccccc2)nn1	853297512	GLWKBNLEYMXXSY-UHFFFAOYSA-N	313.361	1.773	50	20	DDGD	
Cn1ncc(C2CC2)c1C=NNC(=O)c1ccc(O)c(O)c1	853341064	GXPSKOHEHQEIJJ-UHFFFAOYSA-N	300.318	1.473	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)N[C@H]1COC[C@H]1C	926017926	JDJHELKHSGKIAZ-BDAKNGLRSA-N	313.789	1.914	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@H](C)CC1(C)OCCO1	758862478	IEWXUWMGKVOAIH-NSHDSACASA-N	301.387	1.152	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CCN(C)[C@H](C)C2)cc(C#N)n1C	753617821	WBXLIIWMJLRQEE-FKZYXTMDSA-N	311.389	1.275	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC(C)(C)[C@H]1c1cccnc1	854040248	BCNVZSVFORIKNL-BXUZGUMPSA-N	304.394	1.410	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)cc1)C1CCOCC1	755886068	JGADHAFGDZOTGG-UHFFFAOYSA-N	303.362	1.852	50	20	DDGD	
CCn1nccc1NC(=O)NNC(=O)COCc1ccccc1	757902890	JRLGQFCQSUBCCI-UHFFFAOYSA-N	317.349	1.273	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@H](CO)CC1CC1	855917163	XYXMWEFSYHPWLO-CYBMUJFWSA-N	313.829	1.877	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ccc(Cl)cn1)N1CCCC1=O	856093715	NGUBPUFTYQHRON-ZDUSSCGKSA-N	310.785	1.825	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ncccc1O	750658743	JMPHFALGURNUSS-UHFFFAOYSA-N	315.373	1.765	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=Cc1cncn1C	755510444	HQQJGYJYZBEVCO-UHFFFAOYSA-N	302.334	1.348	50	20	DDGD	
CC(=O)N1CCC(CNS(=O)(=O)CC(C)(C)CCl)CC1	866741293	CRLTUFDLGCYVRL-UHFFFAOYSA-N	324.874	1.429	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C2C3CC4CC(C3)CC2C4)n[nH]1	869013162	PAWUDTWFSNLBQK-UHFFFAOYSA-N	316.405	1.480	50	20	DDGD	
CNc1c(C(=O)NNC(=O)c2ccccn2)cccc1[N+](=O)[O-]	765370308	ZGFYJJOYWRRILX-UHFFFAOYSA-N	315.289	1.106	50	20	DDGD	
CC(C)CC(=NNC(=O)CS(C)(=O)=O)c1cccs1	863188542	XOHDENFDTGEOCQ-UHFFFAOYSA-N	302.421	1.659	50	20	DDGD	
CC(=O)Nc1ccccc1CC(=O)NNc1ncncc1Cl	768240664	GDTACPHRYYYJMP-UHFFFAOYSA-N	319.752	1.774	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCSc3ccccc32)n[nH]1	768278805	VHUCEFRHLWWCKP-NSHDSACASA-N	316.386	1.759	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21	932377728	PMXYCDDKFJMLFQ-WMKFIOFKSA-N	302.349	1.808	50	20	DDGD	
Cc1cc(=NNC(=O)Nc2ccc(N3CCCC3)nc2)cc[nH]1	860446571	VEGXAJIJMDGQQO-UHFFFAOYSA-N	312.377	1.956	50	20	DDGD	
Cc1cccn2cc(CC(=O)NN[C@H](C)C(F)(F)F)nc12	862308362	DEKCIBGMUBMGRV-SECBINFHSA-N	300.284	1.757	50	20	DDGD	
CNc1c(C(=O)NNc2cc(C)nc(C)n2)cccc1[N+](=O)[O-]	765859665	MSUHQNGIGCAHSW-UHFFFAOYSA-N	316.321	1.800	50	20	DDGD	
C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(C/C=C\C#N)C1=O	763304927	QTCKKDUDQPQPAX-PYLYLYNFSA-N	300.274	1.442	50	20	DDGD	
CN(C)C1(C(=O)NNC(=O)C(C)(C)c2ccccc2)CCC1	763044789	PWOIEYHRBMBLMV-UHFFFAOYSA-N	303.406	1.596	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(COC(C)(C)C)cc1	763437824	IBYRXECWYWKVDD-UHFFFAOYSA-N	321.377	1.498	50	20	DDGD	
Cc1cc(Br)c2c(c1)C(=NN(C)C(N)=O)C(=O)N2	767907998	MUTKRZSAPALVID-UHFFFAOYSA-N	311.139	1.424	50	20	DDGD	
C[C@]1(c2cccc(C(=O)NNc3ccccc3)c2)NC(=O)NC1=O	768930948	ZQVBBKBUSOMCTE-QGZVFWFLSA-N	324.340	1.498	50	20	DDGD	
C[C@@H]1C[C@@H](CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC(C)(C)C1	862454607	WNFCWLIUFVLZLF-WOPDTQHZSA-N	309.410	1.265	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1cccc(F)c1F	868736994	VANBMVCBLBVACA-WPRPVWTQSA-N	313.304	1.220	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NNc1nc2ccccc2[nH]1	768511868	DXQFJTUIFCXBJA-MNOVXSKESA-N	304.350	1.590	50	20	DDGD	
Cc1cccc2nc(C(=O)NNC(=S)N[C@@H](C)C3CC3)cn12	1118763850	JSCDCNKPRYKBJB-JTQLQIEISA-N	317.418	1.550	50	20	DDGD	
CC(C)(C)OC1CC(CCNC(=O)NNC(=O)c2ccc[nH]2)C1	764503843	AKOFSKCNJPAPAO-UHFFFAOYSA-N	322.409	1.943	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2cncnc2)c(Cl)c1	760815038	AFGXGSWRDRXLFE-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cc(C(F)(F)F)cnc1O	874060038	CJUJWDFHRDSMJB-UHFFFAOYSA-N	305.256	1.613	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNC(=O)c1ccccc1F)C(C)C	873751589	UFWILBXDKVUROD-LBPRGKRZSA-N	310.325	1.422	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H](CC(C)C)NC(C)=O)cc1	1116534119	GITXAQNOPKXEFD-AWEZNQCLSA-N	321.377	1.007	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccc2c(c1)OCCCO2	875221561	ZTCPTFRMCHKMGL-UHFFFAOYSA-N	309.322	1.260	50	20	DDGD	
COC(=O)c1cc(NC(=O)NN(C)C(=O)OC)c(C)cc1C	879345407	ODNVKLSCNCCLCE-UHFFFAOYSA-N	309.322	1.825	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccccc1Br	875177866	ICEDXGZXYXVNTG-UHFFFAOYSA-N	316.155	1.862	50	20	DDGD	
C[C@@H](Sc1nnnn1C1CC1)C(=O)NNc1ccc(F)cn1	874651650	RZMGOTNMYNZMLF-SSDOTTSWSA-N	323.357	1.166	50	20	DDGD	
O=C(C[C@@H]1COC(=O)C1)NNc1ccnc(Br)c1	771537216	IKMYEXPUYYAUSX-ZETCQYMHSA-N	314.139	1.240	50	20	DDGD	
Cc1cc(=NNC(=O)NCC2CCN(CC3CC3)CC2)cc[nH]1	875756107	JCMKNPKRRIPISX-UHFFFAOYSA-N	317.437	1.560	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C/c1ccccc1F	771941467	SIUSHUUKBOZLOH-AAXQSMANSA-N	308.309	1.328	50	20	DDGD	
CCCN(CC(=O)NNC(=O)c1cccc(C)c1)CC(F)F	777572131	CWIHNCLFQRXUNJ-UHFFFAOYSA-N	313.348	1.733	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C1CCOCC1)[C@H](C)c1ccccc1	883489959	YXOZJVYMMSZSIG-STQMWFEESA-N	319.405	1.936	50	20	DDGD	
O=C(NNC(=O)c1ccccc1OCC1CC1)c1cccnn1	882060463	SOMDNABFZWTOAR-UHFFFAOYSA-N	312.329	1.340	50	20	DDGD	
O=C(NNc1cccc(F)c1F)N[C@@H]1CCCC12OCCO2	889515888	IQWBAFQPVGCPFS-LLVKDONJSA-N	313.304	1.887	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2c(O)cccc2O)c(O)c1	770401726	FNGDXANEJCCHTC-UHFFFAOYSA-N	302.286	1.187	50	20	DDGD	
CC(C)(C)C(=O)N=c1cc[nH]cc1C=NNC(=O)c1ccc[nH]1	783816733	VUZDPOJOHAMMJI-UHFFFAOYSA-N	313.361	1.580	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H]2CCOC2=O)c1C	788035064	PFWXFSKJQXBANV-MZLJFPOFSA-N	315.373	1.854	50	20	DDGD	
O=c1oc2ccccc2n1CCNS(=O)(=O)CCCCl	881866794	YDIKYPGMJFZLFY-UHFFFAOYSA-N	318.782	1.143	50	20	DDGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)[C@H]1CN(C)CCO1	787455547	UFSZWDCNAGUKRL-WXHNGTRTSA-N	315.373	1.134	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1cc(Br)cc(F)c1O	884452790	XUBXFZLOXFMTOY-UHFFFAOYSA-N	319.130	1.515	50	20	DDGD	
COc1cc(NNC(=O)Nc2nccn(C)c2=O)ccc1Cl	788658849	WOVQBXLYYNROBH-UHFFFAOYSA-N	323.740	1.591	50	20	DDGD	
CN1CCN(CC(=O)NNc2ccc(C(C)(C)C)cc2)CC1	780808286	CZOMDDYOTWFGCP-UHFFFAOYSA-N	304.438	1.675	50	20	DDGD	
O=C(COC(=O)/C=C/c1ccc[nH]1)NNC(=O)c1cccs1	782331666	MXTDATBCDBMPHF-AATRIKPKSA-N	319.342	1.094	50	20	DDGD	
C[C@@H](CN1CCCCCC1)C(=O)NNC(=S)NC1(C)CC1	789178331	QBMGHBGGKQUQND-LBPRGKRZSA-N	312.483	1.546	50	20	DDGD	
Cc1nn[nH]c1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	789938971	KDCRWXJGFCSBFA-UHFFFAOYSA-N	303.366	1.091	50	20	DDGD	
Cc1cc(F)ccc1-n1ccc(C(=O)NNC(=O)C(C)C)n1	783032708	ZXTVTLNUXSBPBN-UHFFFAOYSA-N	304.325	1.737	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(CCCO)Cc1ccc(OC)cc1	890644516	PDZBRSKKFIBPHF-SQFISAMPSA-N	318.373	1.850	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCc2ccc(O)nc2)cc1	786656379	BRGLUNRMHSTGAR-UHFFFAOYSA-N	313.357	1.743	50	20	DDGD	
Cc1ccc2c(c1)CCN(CC(=O)NNC(=O)C(C)(C)C)C2	792310703	BAKCHGGJNUZSEH-UHFFFAOYSA-N	303.406	1.547	50	20	DDGD	
Cn1cc2c(n1)CCCC2=NNC(=O)c1ccc(O)c(O)c1	794555364	DBERKHFHBDKRIX-UHFFFAOYSA-N	300.318	1.302	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NC[C@@H]1CCC(F)(F)C1	797551348	OHXKTAMCGLCDIH-ZCFIWIBFSA-N	303.231	1.705	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)Cc1ccccc1)c1cccc(Cl)c1	792803577	CVTCARTVTFPKJH-AWEZNQCLSA-N	318.760	1.705	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNc2cccc(C#N)c2)nn1	799233014	YOVSPVZPJQFWCF-UHFFFAOYSA-N	312.289	1.283	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc2nccc(C)c2c1	796246712	LASNLOBACFVOBA-UHFFFAOYSA-N	309.329	1.650	50	20	DDGD	
O=S(=O)(CBr)N1CCC(c2ccncc2)CC1	276933956	ANNARYGHCRLIBF-UHFFFAOYSA-N	319.224	1.943	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNC(=S)N[C@H](C)C2CC2)c1C	794372608	DVUBVAYFZVUPMK-SECBINFHSA-N	323.466	1.356	50	20	DDGD	
Cn1cc2c(n1)CCCC2=NNC(=O)c1ccc(Cl)nc1	794495936	VBOLNKYDMPWLTK-UHFFFAOYSA-N	303.753	1.939	50	20	DDGD	
COc1cccc(NNC(=O)c2cc3nccnc3cc2F)n1	792303588	PZCXPJQLRQMBMY-UHFFFAOYSA-N	313.292	1.929	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1cnc(-c2ccccc2)nc1	794956294	CYIHIXIEXAXSNU-ZSOIEALJSA-N	314.370	1.899	50	20	DDGD	
COc1cc(NNC(=O)c2cc(OC)n(C)n2)ccc1Cl	790194985	IQIWTXRHUSIYPV-UHFFFAOYSA-N	310.741	1.848	50	20	DDGD	
CN1CCCC(C)(C)[C@@H]1CNC(=O)NNC(=O)c1ccccc1	790497629	ODWRRLATFRLQRS-AWEZNQCLSA-N	318.421	1.751	50	20	DDGD	
O=S(=O)(c1cccc(Cl)c1Cl)N1CC[C@@H](B(O)O)C1	585061429	XIWBPXXGNZOGCI-SSDOTTSWSA-N	323.994	1.231	50	20	DDGD	
CC[C@@H]1C[C@H]1NC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	798063389	AFTFPRRHICFAGW-BXUZGUMPSA-N	313.361	1.615	50	20	DDGD	
CO[C@@H](C(=O)NNc1cc(F)c(F)c(F)c1)c1cnn(C)c1	798982183	FVYGBLTVWPAIER-GFCCVEGCSA-N	314.267	1.668	50	20	DDGD	
CCc1c(C(=O)NNC(=S)NC(C)C)cnn1C(C)(C)C	1317858528	RJBHSCGMGCCMPH-UHFFFAOYSA-N	311.455	1.718	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(C(C)(C)C)nn1)c1nncn1C	1318682616	JGWKFNMMXCWFBD-VIFPVBQESA-N	318.385	1.290	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1(Oc2ccccc2)CC1	1328581635	RVRJYXUKRJFTJK-WCQYABFASA-N	304.346	1.170	50	20	DDGD	
Cn1ccc(C=NNC(=O)c2ccc(Br)cc2)n1	1326228718	ZNJAOMXMCRHJFT-UHFFFAOYSA-N	307.151	1.947	50	20	DDGD	
CC1(C)CCc2nc(NC(=O)NNC(=O)CCO)sc2C1	1325354343	JRSKSLUQUMLPQW-UHFFFAOYSA-N	312.395	1.193	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCCC(=O)OC(C)(C)C	1332480373	FLENXYWMQSZJJB-UHFFFAOYSA-N	301.387	1.629	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=O)c2ccc(OC)cc2)c1C	1335954264	MCECMTMAZHVGNU-UHFFFAOYSA-N	316.361	1.685	50	20	DDGD	
CC(C)(C)OC(=O)CCCC(=O)NNC(=O)N=c1cc[nH]cc1	1261499331	IBUREWSNSOFBQY-UHFFFAOYSA-N	322.365	1.168	50	20	DDGD	
C[C@@]1(Cn2nnnc2N2CCCCC2)C[C@@H]1Br	1262471322	LFCIIDNUHKEYTF-ONGXEEELSA-N	300.204	1.837	50	20	DDGD	
C[C@@H]1CCCN(C(=O)CCNC(=O)NNc2ccccn2)C1	1341867272	CZZGQLPNWAKKTM-GFCCVEGCSA-N	305.382	1.356	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)c2ccns2)o1	1353542835	ZHEVBZKHXBCOSB-UHFFFAOYSA-N	322.390	1.653	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@H](C(=O)O)C1)c1ccccc1Cl	1601553658	PKWDLYLRVKNRPS-UWVGGRQHSA-N	324.764	1.992	50	20	DDGD	
CCCCCN1C(=O)C(=NNC(=O)C(=O)O)c2ccccc21	1605268861	HXONEJAQUPQYIZ-UHFFFAOYSA-N	303.318	1.128	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1cccnc1C1CC1	1606857911	GUWGLMJHXFETJB-UHFFFAOYSA-N	322.332	1.291	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)Cc2cccc(C(=O)O)c2)n1	1601220751	RIFGHUSJPMEGRY-UHFFFAOYSA-N	321.724	1.096	50	20	DDGD	
CC[C@@H]1C[C@@H](C(=O)NNc2ccc(CC(=O)O)cc2)CCO1	1605150686	DTYWTEBKFPAEID-GXTWGEPZSA-N	306.362	1.962	50	20	DDGD	
O=C(O)COc1cccc(NC(=O)NNC(=O)CC2CC2)c1	1602094679	RGXYISLPQMSTKL-UHFFFAOYSA-N	307.306	1.103	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@]1(C(=O)O)CC=CCC1)C1CC1	1603242530	HRYBNFMBJKFAOS-XPTSAGLGSA-N	311.407	1.091	50	20	DDGD	
C[C@H](Oc1ccccn1)C(=O)NNc1ccc(CC(=O)O)cc1	1604449581	SWNYHDKKLJGJDN-NSHDSACASA-N	315.329	1.619	50	20	DDGD	
N[C@@H]1CCC[C@@H](NC(=O)NNc2ccc(C(=O)O)c(F)c2)C1	1608252220	FDHCUAOQVIAEDX-RKDXNWHRSA-N	310.329	1.420	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1c(F)cccc1F	1549312084	AGBJUKRYLIUBLY-BXUZGUMPSA-N	323.343	1.668	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)O	1801952543	MJPGZBRWPNWIAI-UJPOAAIJSA-N	316.829	1.413	50	20	DDGD	
COc1cc(C2(C(=O)NNC(=O)CCN)CCCC2)ccc1C	1579147007	ZDBUZDZEOJLPRV-UHFFFAOYSA-N	319.405	1.312	50	20	DDGD	
CC[C@H](C)C[C@H](N)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	1576984664	ZMQKTGRPHPBYFR-FZMZJTMJSA-N	316.405	1.621	50	20	DDGD	
C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](F)Cl)CC1	1831321576	ZFGRMVWQENDXST-OCCSQVGLSA-N	314.788	1.774	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@]12CCCNC2)c1cc2c(s1)CCC2	1580733427	URCWKVAXHIWQHU-BDJLRTHQSA-N	319.430	1.388	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H]1C[C@H]1F)C2	1845166361	QJSMVKCWNHPFKS-GARJFASQSA-N	302.777	1.565	50	20	DDGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)[C@]12CC[C@H]1CNC2	1580737320	ODZCEBYGIZKIMT-XPTSAGLGSA-N	324.837	1.657	50	20	DDGD	
O=C(O)Cc1ccccc1NC(=O)NNc1ncc(F)cn1	1595137151	YUPUDOXLISMSLQ-UHFFFAOYSA-N	305.269	1.391	50	20	DDGD	
C[C@@H]1CCn2cc(C(=O)NNc3cccc(C(=O)O)c3)nc2C1	1594451987	JTSMUCJLCNNIAL-SNVBAGLBSA-N	314.345	1.921	50	20	DDGD	
CC(C)OC(=O)NN=Cc1cn(C2CCOCC2)nc1C(=O)O	1776082258	FXUPXKICSAETPX-UHFFFAOYSA-N	324.337	1.401	50	20	DDGD	
COCC(=O)NN=Cc1c(C(=O)O)n(C)c2ccc(F)cc12	1776048775	YVIWYFJTHWIFCZ-UHFFFAOYSA-N	307.281	1.112	50	20	DDGD	
CC(C)[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Cl)C2	1793229397	UCPZWGBLRJFZFX-OSUNSFLBSA-N	320.792	1.176	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(-c3ccccc3)no2)[nH]n1	151173177	KJUMAOJTRSTXBZ-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
CCOc1ccc(CC(=O)NNC(=O)c2cc(C)n[nH]2)cc1	153208845	FDJMYETXRBXNHT-UHFFFAOYSA-N	302.334	1.121	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1coc(-c2ccccc2)n1	155056506	BXMOYJWCFKNSOP-UHFFFAOYSA-N	310.313	1.755	50	20	DDGD	
CC[C@H](CC(=O)NNc1nccc(N2CCOCC2)n1)C(C)C	155498470	JJDMVXBVJUORRY-CYBMUJFWSA-N	321.425	1.829	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCOc1ncccc1Cl	159953688	WYZQJVXVRHOCCW-UHFFFAOYSA-N	314.773	1.490	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2n[nH]c3ccccc23)cc1	7138848	XYAWZVSYQHMITM-UHFFFAOYSA-N	324.340	1.711	50	20	DDGD	
CCCOc1ccc(CNC(=O)NNC(=O)C(C)(C)C)cn1	107756702	WRJMKPSTDKLTEH-UHFFFAOYSA-N	308.382	1.747	50	20	DDGD	
CCOCCC(=O)NNC(=O)c1ccc(Cl)cc1OC	102863630	DOTJRCJLSIJGEM-UHFFFAOYSA-N	300.742	1.536	50	20	DDGD	
Cc1ccncc1NC(=O)C(=O)NNc1ccccc1[N+](=O)[O-]	119176190	HYGFVKKQOIOGAU-UHFFFAOYSA-N	315.289	1.380	50	20	DDGD	
CCn1c(C)cc(C(=O)NNC(=O)Cc2cccnc2)c1C	103456855	OKZDZNAZKDVHSA-UHFFFAOYSA-N	300.362	1.524	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)COC1CCCC1	55354969	YVXMGMQIHHHRTG-UHFFFAOYSA-N	306.362	1.344	50	20	DDGD	
CC(=O)NNC(=O)c1ccc(NC(=O)c2cccs2)cc1	28779067	UAHJCMOHRKAWHM-UHFFFAOYSA-N	303.343	1.781	50	20	DDGD	
CN(C)CC(=O)NNC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1	113424145	UOXSMWYQCQJKDB-HOTGVXAUSA-N	311.385	1.652	50	20	DDGD	
O=C(CN(Cc1ccc(Cl)cc1)C1CC1)NNC(=O)C1CC1	112977255	OEYAPISVKWCCTJ-UHFFFAOYSA-N	321.808	1.862	50	20	DDGD	
CC(=O)Nc1cccc(CNC(=O)NNc2ccc(C)nn2)c1	106262700	BZYVCAFTCSMARM-UHFFFAOYSA-N	314.349	1.570	50	20	DDGD	
C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)NNC(=O)C(C)(C)C	102455746	HTBFYGODPBBTNX-WDEREUQCSA-N	312.414	1.152	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	21771270	FNKOBGPYHNMNSD-UHFFFAOYSA-N	322.321	1.586	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccccc2)ccc1-n1cncn1	172921656	MMLWJQDMDHLOML-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
CCCSCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	68006525	CLKHAKIYBPUMSC-UHFFFAOYSA-N	323.418	1.533	50	20	DDGD	
CC(C)(C)c1noc(CCCC(=O)NNC(=O)NCC2CC2)n1	65192053	SBYDYWLBXOECML-UHFFFAOYSA-N	323.397	1.430	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)Nc1ccc(F)cn1	123164357	DPWYUZXJLIVQER-UHFFFAOYSA-N	318.308	1.590	50	20	DDGD	
CCSc1ccc(C(=O)NNC(=O)NCC(F)(F)F)cn1	69580464	KJDQUGFYNBXVAK-UHFFFAOYSA-N	322.312	1.700	50	20	DDGD	
CC(C)Oc1cncc(C(=O)NNC(=O)Cc2ccncc2)c1	122373848	PTIIHODFPKBGLZ-UHFFFAOYSA-N	314.345	1.268	50	20	DDGD	
CC(C)Oc1ccc(/C=C/C(=O)NNC(=O)NC2CC2)cc1	64427569	NTSVJUOQIFEZEO-BJMVGYQFSA-N	303.362	1.980	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1)N(C)C	126323664	XNMLGHAGIXIXHL-GWCFXTLKSA-N	311.357	1.081	50	20	DDGD	
Cc1noc(C2CC2)c1NC(=O)NNC(=O)c1cccnc1	129801602	SXGRDAYQEIBVFW-UHFFFAOYSA-N	301.306	1.722	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NC[C@@]1(O)CCSC1	185791800	RLYNIFHABARURD-BLMSOEDDSA-N	304.371	1.283	50	20	DDGD	
CCNC(=O)NNC(=O)CCc1cccc(OC(C)(C)C)n1	126695643	NIBHXAZGRKRFLQ-UHFFFAOYSA-N	308.382	1.542	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)/C=C/c2ccc(O)cc2)cc1	124127733	GCOSLIPMRYYANK-BJMVGYQFSA-N	307.309	1.738	50	20	DDGD	
CN(C)CC(=O)NNC(=O)C1(Cc2cccc(F)c2)CCC1	185399697	SLQHLEGVZOTRMU-UHFFFAOYSA-N	307.369	1.248	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)COc1ccc(F)cc1	124924134	CCKBINVDZOSHHL-LLVKDONJSA-N	300.355	1.494	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NOCc1cccnc1	127211855	TXMIPSMRFZJAIL-UHFFFAOYSA-N	318.308	1.225	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)Cc2ccoc2)cc1F	120928143	ROLJAZZLGYUHML-UHFFFAOYSA-N	323.349	1.988	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(-c2ncn[nH]2)cc1	184491376	RRCHRSNQOYBEEM-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
O=C(CCc1ccsc1)NNC(=O)CNc1ccccc1	73302270	PHIBXQIJLASQEV-UHFFFAOYSA-N	303.387	1.940	50	20	DDGD	
Cc1nc(CCNC(=O)NNC(=O)OC(C)(C)C)cs1	45489535	KNGDCHRWHVWWBD-UHFFFAOYSA-N	300.384	1.733	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)Cc1cn2ccccc2n1	131472673	NOUYADSXMYCVGB-LLVKDONJSA-N	306.391	1.166	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccc([N+](=O)[O-])cc2)cc1	130002039	RKDVNXCWWWCMAX-UHFFFAOYSA-N	314.301	1.985	50	20	DDGD	
C[C@@H](Cc1cccs1)NC(=O)NNC(=O)Cc1ccncc1	83178770	NLUNNDQLYBJVPG-NSHDSACASA-N	318.402	1.647	50	20	DDGD	
Cc1ccccc1C[C@H](C)NC(=O)NNC(=O)c1ccc[nH]1	193390017	PERJLUYWSWFDFM-LBPRGKRZSA-N	300.362	1.898	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccncc1Br	132147287	SWJLQLINNMUOGD-UHFFFAOYSA-N	324.138	1.400	50	20	DDGD	
Cc1cc(C)c(/C=C\C(=O)NNC(=O)C(=O)NC(C)C)cc1C	42850794	VGZAHZMRJWDNJV-SREVYHEPSA-N	317.389	1.297	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNc1ccc([N+](=O)[O-])cc1	133802548	IBNSRULHUBNUSB-UHFFFAOYSA-N	311.301	1.928	50	20	DDGD	
C[C@@H]1CCc2c(C(=O)NNC(=O)N3CCOCC3)csc2C1	194898970	VWBKZOSDDISMKW-SNVBAGLBSA-N	323.418	1.560	50	20	DDGD	
Cc1cccc(-n2cc(C(=O)NNc3nc(C)cc(C)n3)nn2)c1	195463817	IYYLTXLMAXZZJV-UHFFFAOYSA-N	323.360	1.739	50	20	DDGD	
CCn1cc(NC(=O)NNC(=O)c2ccccc2)ccc1=O	145584400	OFQLQIYQRDTJME-UHFFFAOYSA-N	300.318	1.335	50	20	DDGD	
CN(Cc1ccoc1)C(=O)NNC(=O)CCOc1ccccc1	144757192	UVCHGHYFHACDPD-UHFFFAOYSA-N	317.345	1.921	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc(NC(C)C)nc2)n1	267080588	QSPJUAUNVZPXNI-UHFFFAOYSA-N	302.338	1.457	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)COc1cccc(C)c1)C(C)C	266759767	SRVFKXARCAFGKX-AWEZNQCLSA-N	323.393	1.375	50	20	DDGD	
Cc1nc(CN2CCC(C(=O)NNC(=O)C3CC3)CC2)cs1	263952413	XFPLXVTVEZMBKF-UHFFFAOYSA-N	322.434	1.221	50	20	DDGD	
C=CC(=O)NCc1ccc(C(=O)NNC(=O)C2CCC2)cc1	264776556	PFOGIZNXOJFUIV-UHFFFAOYSA-N	301.346	1.050	50	20	DDGD	
COc1cccc(OC)c1CC(=O)NNC(=O)OC(C)(C)C	268373177	WNTGATAMLNIRSV-UHFFFAOYSA-N	310.350	1.802	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc(Br)nc1	266920732	KGDVICNLYJMTNO-UHFFFAOYSA-N	300.156	1.651	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)CN(C(C)=O)C2	363846351	CHMGDGJURDEPQV-SNVBAGLBSA-N	318.377	1.748	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CSCN1	269094521	MVBZPTHZCOWVLZ-QMMMGPOBSA-N	302.743	1.354	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)n1	363575145	NTGSZQJMHDPACP-UPJWGTAASA-N	319.409	1.923	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H](NC(=O)NNc2cccc(F)c2F)C1	279788086	VFAKRTOJRUQNOZ-DTWKUNHWSA-N	313.304	1.933	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccccc1OC	278693809	IYCYRYJSFCDVKY-TZMCWYRMSA-N	304.346	1.437	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C(=O)N2CCC[C@@H](C)C2)c1	278498486	WPJYFXAPOYYBLY-LLVKDONJSA-N	319.361	1.175	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc(CC(=O)N(C)C)cc1	273476591	JQIBSUMPWKLATG-UHFFFAOYSA-N	320.393	1.516	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)CC2CC2)cc(OC)c1OC	273578786	ZGYYCPFTPKOLJF-UHFFFAOYSA-N	323.349	1.665	50	20	DDGD	
CCC1(C(=O)NNC(=O)c2ccc(C#N)cc2)CCOCC1	272524739	ZXKNUEYAVHUJDG-UHFFFAOYSA-N	301.346	1.526	50	20	DDGD	
Cc1cccnc1NNC(=O)NC[C@@H]1COC2(CCCC2)O1	276704527	OFDJDQUUHAPOKC-GFCCVEGCSA-N	306.366	1.702	50	20	DDGD	
COc1ccc(NNC(=O)NCc2cnc3n2CCCC3)nc1	375202428	WVVNBRIKTCBKHQ-UHFFFAOYSA-N	316.365	1.449	50	20	DDGD	
COC(=O)[C@H]1CCCCCN1S(=O)(=O)CCCCCl	375252211	FIPWHDLFSZVSAB-LLVKDONJSA-N	311.831	1.753	50	20	DDGD	
C=CCNC(=S)NNC(=O)C1(c2ccccc2)CCOCC1	281405843	YVJHEWQRGRZGHR-UHFFFAOYSA-N	319.430	1.416	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N(C)CCCSC	281276862	HNRDWJYJKKPYNK-UHFFFAOYSA-N	311.407	1.735	50	20	DDGD	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)c1cccc(Cl)c1	285153010	OWEVYCVIEURCEH-WDEREUQCSA-N	310.737	1.300	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@@H](F)CC2CCCCC2)n1	280099214	BGPDFIHEYKDKAA-AWEZNQCLSA-N	324.400	1.956	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)CCCc2ccccc2)O1	282206942	QJOBEMPJPNVGCS-XJKCOSOUSA-N	304.390	1.970	50	20	DDGD	
COCCN(C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12	288471337	QZNMQYDIBXFZDG-UHFFFAOYSA-N	304.306	1.366	50	20	DDGD	
O=C(CSc1ccncc1)NNC(=O)NCC(F)(F)F	281381323	XFCHSGCWBZLIMU-UHFFFAOYSA-N	308.285	1.066	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CSC1CC1	294277434	HEDPDPKALZXPAS-VIFPVBQESA-N	312.366	1.636	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)[C@H]2CCCCO2)c1	295688101	YSMPKTOIPLTORZ-CQSZACIVSA-N	306.362	1.344	50	20	DDGD	
CCOc1ncc(C)cc1NC(=O)NNC(=O)[C@@H]1CCCO1	296693297	AGSNPYGDFDNLDR-NSHDSACASA-N	308.338	1.120	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNC(=O)c1cccc(C#N)c1	805179150	SKDCSFUNSOSDCY-UHFFFAOYSA-N	317.345	1.299	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCO1)N[C@@H]1CCC[C@@H]1c1ccccc1	297107975	FQQZVKKNVUZXIX-RBSFLKMASA-N	317.389	1.832	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CSc1ccccc1O)C(C)(F)F	294528265	KPLLBBVCMPUERO-MRVPVSSYSA-N	318.345	1.923	50	20	DDGD	
CCNC(=O)[C@@H](NC(=O)NNC(=O)c1ccccc1C)C(C)C	292394360	CBNQXAVVWWIYNK-ZDUSSCGKSA-N	320.393	1.100	50	20	DDGD	
Cc1cc(C)n(CCCNC(=O)NNc2ncc(F)cc2F)n1	297890284	RQTKFKMLPWSDMT-UHFFFAOYSA-N	324.335	1.890	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1c(F)cccc1Cl	807981472	OALAMHYLDLJGAH-UHFFFAOYSA-N	301.705	1.675	50	20	DDGD	
O=C(NC[C@H]1CSCCS1)NNc1ncc(F)cc1F	297066621	AEIKTSWDYYVVNX-QMMMGPOBSA-N	320.390	1.835	50	20	DDGD	
N#Cc1cccc(-n2ccc(C(=O)NNC(=O)CC3CC3)n2)c1	294066515	GTUSKKHUVHHSSS-UHFFFAOYSA-N	309.329	1.305	50	20	DDGD	
CCNC(=O)CCCC(=O)NNc1cc(C(F)(F)F)ccn1	295377821	PGBNEZNSUPDBOO-UHFFFAOYSA-N	318.299	1.850	50	20	DDGD	
CCC(O)(CC)CCNC(=O)NNc1ncc(F)cc1F	298314067	NSLDHEZNDRAENU-UHFFFAOYSA-N	302.325	1.927	50	20	DDGD	
COc1cc(C)sc1C(=O)NNC(=O)N=c1cc[nH]cc1	802026115	MNICGAWLSIMZKN-UHFFFAOYSA-N	306.347	1.349	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)[C@H](O)C1CCCCC1	804957837	CBWUZRDAAXXAAA-CQSZACIVSA-N	316.365	1.047	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)C(C)(C)C2CCCCC2)CC1	807381634	BHLSBGDHVFUSRC-UHFFFAOYSA-N	310.442	1.581	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CCn3c(cnc3C)C2)nc(C)n1	290587236	VDFSGVLWPCDXRX-GFCCVEGCSA-N	300.366	1.304	50	20	DDGD	
Cc1ccc2nc(C(=O)NNC(=O)N=c3cc[nH]cc3)ccc2c1	816596355	YWTLMLSTVIGCJA-UHFFFAOYSA-N	321.340	1.827	50	20	DDGD	
O=C(NCCc1cn[nH]c1)NNc1ccc2c(=O)[nH]ccc2c1	812520827	XNNFWVOTEYDJLN-UHFFFAOYSA-N	312.333	1.120	50	20	DDGD	
Cn1cc(C(=O)NN=C2CC(C)(C)Cc3nc(N)sc32)cn1	814852212	OCLVBWFSSOYZJW-UHFFFAOYSA-N	318.406	1.565	50	20	DDGD	
COc1cccc(C=NNC(=O)COc2ccccc2O)c1	814952776	MZGVESHPDCEQKR-UHFFFAOYSA-N	300.314	1.930	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H]1CCCN(c2ccccc2)C1=O	814632223	CNHWKPWLROROQI-CYBMUJFWSA-N	318.377	1.170	50	20	DDGD	
CC(=NNC(=O)CC1CC1)c1ccc(N2CCNC2=O)cc1	814988938	DDISYHMITPQVHZ-UHFFFAOYSA-N	300.362	1.857	50	20	DDGD	
CN(NC(=O)COc1cccc(Br)c1C#N)C1CC1	819653625	UHSALLDWTMVHRF-UHFFFAOYSA-N	324.178	1.825	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C[C@H](C)n2cccn2)cc1	819009631	OJDSGIHVNBXWGM-ZDUSSCGKSA-N	316.361	1.369	50	20	DDGD	
C[C@H](C(=O)NNc1ncncc1F)c1ccc([N+](=O)[O-])cc1F	817080690	YHLHITQDACFVRL-ZETCQYMHSA-N	323.259	1.910	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc(CCN(C)C)cc2)n1	816837034	IFRJNXAKZQMJHR-UHFFFAOYSA-N	313.405	1.954	50	20	DDGD	
CN(NC(=O)c1ccc(S(=O)(=O)C2CCC2)cc1)C1CC1	819653006	GYKCCSZSDSHNLE-UHFFFAOYSA-N	308.403	1.752	50	20	DDGD	
O=C(COc1cc(F)cc(F)c1)NNC(=O)N=c1cc[nH]cc1	813574148	OHBDFJGMHMIPTH-UHFFFAOYSA-N	322.271	1.013	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H](C)CN(C)C(C)C)cc1	811931076	RUOZHNMPTVSQLV-ZDUSSCGKSA-N	320.437	1.922	50	20	DDGD	
CC(C)CO[C@H](C)C(=O)NNc1nc(-c2cccnc2)no1	728075091	VNCWBDCIKVHWOR-SNVBAGLBSA-N	305.338	1.636	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)c2cncn2C)c1	813575659	ZUVUTFHMCIXYND-UHFFFAOYSA-N	323.740	1.549	50	20	DDGD	
COCCCNC(=O)NN=Cc1cccc(C(=O)O)c1Cl	814819882	SSHSYQZLIORIBV-UHFFFAOYSA-N	313.741	1.708	50	20	DDGD	
CCc1ncc(C=NNC(=O)COc2ccccc2O)s1	814951053	KWDARGYPVXFUHN-UHFFFAOYSA-N	305.359	1.940	50	20	DDGD	
COc1cc(C(=O)NN(C)C[C@@H](C)O)sc1Br	824615105	XAHLKSHESKIGJP-ZCFIWIBFSA-N	323.212	1.477	50	20	DDGD	
C[S@](=O)C1(CNC(=O)NNC(=O)OC(C)(C)C)CCC1	496865374	NUUOCPJPFKOOFJ-FQEVSTJZSA-N	305.400	1.027	50	20	DDGD	
CN1CC[C@@H](CNC(=O)/C(C#N)=C\c2ccc(F)cc2)CC1=O	491047136	IFTLKRKUCVXKJA-HRYODUOUSA-N	315.348	1.717	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cc2cccn2cn1)C1CC1	824446113	GNGHMNNVBLWVDL-SECBINFHSA-N	303.391	1.242	50	20	DDGD	
CCCc1cc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)n[nH]1	825348481	MVGAXGOQWNAUKB-UHFFFAOYSA-N	312.337	1.299	50	20	DDGD	
COC(=O)NNC(=O)c1cccc(C(=O)Nc2ccccc2)c1	496544034	VVRCJMFOTYULNN-UHFFFAOYSA-N	313.313	1.940	50	20	DDGD	
Cc1ncsc1/C=C\C(=O)NNC(=O)c1ccc(Cl)nc1	492717397	QHWWBKLESVSWFJ-HYXAFXHYSA-N	322.777	1.974	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)Nc2ccc(Cl)cc2)CO1	827617700	LDBZPKUYMUHMET-GZMMTYOYSA-N	312.757	1.853	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N=c2nc(C(C)(C)C)[nH]s2)cn1	491135793	UUQVYLWZQNNADS-YHYXMXQVSA-N	316.390	1.537	50	20	DDGD	
C/C(C=NNC(=O)[C@H](C)NS(C)(=O)=O)=C/c1ccccc1	728436789	SOXCOPGSBRXYQF-KULMFSPQSA-N	309.391	1.130	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1CC[C@H](c2ccc(F)cc2)C1	585039289	RNROFGLMQGIYCT-WMLDXEAASA-N	313.181	1.931	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C	490894757	SLWJOPPYLSIZGQ-JTQLQIEISA-N	314.386	1.078	50	20	DDGD	
CC[C@H]1CN(C(=O)/C(C#N)=C/c2cnn(C)c2)C[C@@H](CC)O1	491010247	LTHYPDDCVFIFCU-DDYURTPESA-N	302.378	1.743	50	20	DDGD	
CCN(CCO)NC(=O)Cc1ccc(C)c(Br)c1	823879322	KKWQMUKLWGEUFO-UHFFFAOYSA-N	315.211	1.645	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@@H]1CCCC1(F)F	826913364	RRJBWRZDTMPTGY-GUBZILKMSA-N	305.325	1.177	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H]1COc2cc(F)ccc2C1	822518112	KCPPUPNMCRWOGK-GFCCVEGCSA-N	309.341	1.506	50	20	DDGD	
CC(C)c1c(C(=O)NCB(O)O)cnn1-c1ccc(Cl)cc1	585056217	RGHIVCCWXCAQJE-UHFFFAOYSA-N	321.573	1.391	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2ccc(Br)nc2)c[nH]1	732838263	NBVDXSCOLFWAIV-UHFFFAOYSA-N	324.138	1.028	50	20	DDGD	
OB(O)c1ccc(CNCC2(Cc3ccc(F)cc3)CC2)o1	585034813	ODNXPENFWBUFKH-UHFFFAOYSA-N	303.142	1.211	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(OC)cc1Br	491012112	ZJSLDHXOZOIIGV-UHFFFAOYSA-N	318.127	1.850	50	20	DDGD	
CC(C)=CCCNC(=O)NNC(=O)CNC(=O)OC(C)(C)C	496004098	HVMYCUMBKZJPAJ-UHFFFAOYSA-N	314.386	1.198	50	20	DDGD	
CCOC(=O)N[C@@H](C(=O)NNc1cc(C)nc(C)n1)C(C)C	491466425	VZHJEEKGLFQMEZ-GFCCVEGCSA-N	309.370	1.307	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)NNc1cccnn1	495958942	XYZFETOYHITWKM-ZJUUUORDSA-N	309.370	1.469	50	20	DDGD	
CCS(=O)(=O)CC(C)=NNC(=O)COc1cccc(C)c1	733745499	NFVJJZGWCUYGML-UHFFFAOYSA-N	312.391	1.301	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)Cc1ccnc(OC)c1	834962173	HMZBZROJXKRIPA-GFCCVEGCSA-N	309.366	1.176	50	20	DDGD	
O=C(N[C@@H](c1ccccn1)C1CCCC1)c1ccc(B(O)O)cc1	584954923	PXWHCQMWNLNEEO-QGZVFWFLSA-N	324.189	1.423	50	20	DDGD	
CCCC[C@@H](CC)CNC(=S)NNC(=O)c1cnn(C)c1	735416653	GCSPVORNBXSUDC-LLVKDONJSA-N	311.455	1.745	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=S)Nc1ccc(C)cc1	733947979	MDOJGMMRGMWDDX-LLVKDONJSA-N	311.407	1.364	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC[C@@H](c2ccccc2)C1	830018112	FFGAWQQJLIEJBK-OAHLLOKOSA-N	303.406	1.669	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc(C#N)c(Cl)c1	831077104	FZEKUXRTWKPAFI-KCJUWKMLSA-N	322.752	1.789	50	20	DDGD	
C[C@]1(C(=O)NCC2(S(C)(=O)=O)CCC2)C[C@H]1Br	907884915	GYRWNTWVJNENDN-SCZZXKLOSA-N	324.240	1.243	50	20	DDGD	
CC1(C)CCC[C@@H](CNC(=O)NNC(=O)C(=O)N2CCCC2)C1	838725364	SNEAKVOIMBMBEF-GFCCVEGCSA-N	324.425	1.156	50	20	DDGD	
CCC(CC)CN(CCC#N)C(=O)c1ccc(B(O)O)c(F)c1	584942516	KONWVXAQXWOTMM-UHFFFAOYSA-N	320.173	1.298	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)[C@@H]2CCCCO2)c(C)c1	836236090	XGKOZDMXTIXEEH-AWEZNQCLSA-N	305.378	1.703	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21	905138392	OPKZVZMSSRZUJG-HFBAOOFYSA-N	311.341	1.083	50	20	DDGD	
Cc1ccc(NNC(=O)NCCN2C(=O)CCC2=O)c(Cl)c1	838471875	LWSSGKWTZQTKAB-UHFFFAOYSA-N	324.768	1.424	50	20	DDGD	
C[C@@H](C[C@@H](C)N)NC(=O)NNC(=O)c1ccc(Cl)cc1F	831212132	LYHJQVQFTYREGX-SFYZADRCSA-N	316.764	1.549	50	20	DDGD	
Cn1c(=NNC(=O)C[C@@H]2CCCOC2)sc2ccccc21	588613069	YULVJJJSKCTUSB-NSHDSACASA-N	305.403	1.988	50	20	DDGD	
COCCN(C)NC(=O)C#Cc1ccc(C(F)(F)F)cc1	837625002	FRUQDAFLTNMIBH-UHFFFAOYSA-N	300.280	1.666	50	20	DDGD	
Cc1c(NNC(=O)NC[C@H]2CCCNC2=O)cccc1[N+](=O)[O-]	838779987	AUYPUXDVRMQKRD-SNVBAGLBSA-N	321.337	1.056	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC2CCOCC2)cc1F	837739476	VWGAVSAPEXYJDR-UHFFFAOYSA-N	311.313	1.417	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1CC[C@@H](c2ccc(F)cc2)C1	585039287	RNROFGLMQGIYCT-RHSMWYFYSA-N	313.181	1.931	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1nc2ccccc2s1	831051996	JRGHQEHRBPPNIN-RKDXNWHRSA-N	320.374	1.874	50	20	DDGD	
CCO[C@H]1C[C@@H](NCC(=O)NNC(=O)C(C)(C)C)C12CCC2	831314139	GHLCVUKYBHPOLV-NEPJUHHUSA-N	311.426	1.117	50	20	DDGD	
CCC[C@]1(C)CCCN(C(=O)c2cc(B(O)O)ccc2F)C1	584955505	UDRJTDLBMFPJJU-MRXNPFEDSA-N	307.174	1.548	50	20	DDGD	
C[C@@H](OCc1ccccc1)C(=O)NNC(=O)c1ccccc1O	915061952	CCJIYWPOZUTOHG-GFCCVEGCSA-N	314.341	1.759	50	20	DDGD	
COCCOCCCCNC(=O)NNc1ncc(F)cc1F	838107224	UWVQQDAANGECEM-UHFFFAOYSA-N	318.324	1.429	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cc(C)n(C)n1)c1ccccc1	731997795	YBGZAOZAQSDTPA-ZDUSSCGKSA-N	300.362	1.683	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1ccc2nc(O)oc2c1	919809350	LKEVMJHCVHCCRL-UHFFFAOYSA-N	313.269	1.314	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccc(-n3ccnc3)cc2)n1	740107676	KAZZFCBAYGXDKA-UHFFFAOYSA-N	323.360	1.485	50	20	DDGD	
C[C@@H](Cc1ccncc1)NC(=O)NNC(=O)c1cccc(C#N)c1	749622323	WOEZWGGSGWYKEG-LBPRGKRZSA-N	323.356	1.528	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Cc2ccc(C)nc2)c1	918199324	UQKGOYSMYOJIQL-UHFFFAOYSA-N	313.357	1.467	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CC(F)(F)F)cc1F	918364907	STWGNOIEOIDIAC-UHFFFAOYSA-N	322.258	1.867	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(F)c(F)cc1F	843662458	RDBLRAOCVFPZBA-RNFRBKRXSA-N	302.252	1.290	50	20	DDGD	
CCCC(C)(C)C(=O)NNC(=O)Cc1cn2ccccc2n1	844415567	ULMYVHKEOUONCG-UHFFFAOYSA-N	302.378	1.851	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1cccc2scnc12	841515008	UNEQRSDVLQLVMH-UHFFFAOYSA-N	314.392	1.151	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc(O[C@H](C)c2ccccc2)nc1	919879630	NLYGKYQRWVBUMY-LLVKDONJSA-N	314.345	1.795	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)COc2ccc(F)cc2)s1	749333735	ULRLXZDNELIPIK-UHFFFAOYSA-N	319.317	1.599	50	20	DDGD	
Cc1cc(C)cc(CCNC(=O)NNC(=O)c2ncccn2)c1	841579390	BRJFKMWHFPZCTB-UHFFFAOYSA-N	313.361	1.280	50	20	DDGD	
CO[C@@H](C=NNC(=O)COc1cc(C)ccc1C)[C@@H]1CCOC1	841607311	VJMIOTKVWDOTFH-ZBFHGGJFSA-N	320.389	1.836	50	20	DDGD	
CC[C@@](C)(NCC(=O)NNC(=O)C1CC1)c1nc(C)cs1	744423815	CGRJYMJBFANHET-CQSZACIVSA-N	310.423	1.224	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@]12CCc1ccccc12)c1ncccn1	841351029	ZNKRXHZYPRYISJ-DYVFJYSZSA-N	308.341	1.142	50	20	DDGD	
CC(C)(C)OC(=O)NC1(CC(=O)NNc2ncccn2)CCC1	746827791	WKEXHWBZMXTFJT-UHFFFAOYSA-N	321.381	1.757	50	20	DDGD	
O=C(Cc1ccc2c(c1)OCO2)NNC(=O)CC(F)(F)F	918703724	HAHNHLJGWRGMOM-UHFFFAOYSA-N	304.224	1.058	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccc2nccnc2c1	747324738	KUSUMGABTKDMBK-UHFFFAOYSA-N	307.313	1.029	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1(c2cccc(F)c2)CC1	843650584	DUHQQWMDDLBNPY-ZWNOBZJWSA-N	306.337	1.430	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(C)cc([N+](=O)[O-])c1N	749356686	HKSJGXDVQKYTAD-UHFFFAOYSA-N	309.326	1.230	50	20	DDGD	
CCOc1ccc(C=NNC(=O)N2CCOCC2)cc1OC	745603171	VOBBIOAMAPYSMK-UHFFFAOYSA-N	307.350	1.470	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1F)[C@H]1CCCS(=O)(=O)C1	845855106	UYKIQULHDUHLOD-ZETCQYMHSA-N	322.308	1.372	50	20	DDGD	
COc1nccnc1NNC(=O)COC[C@H](C)c1ccccc1	846260073	FSKZWEXSNCRJIW-LBPRGKRZSA-N	316.361	1.749	50	20	DDGD	
CCC(=NNC(=O)[C@H](C)CN1CCCCC1)c1cnn(C)c1	741812068	MAPADVWTENFSNF-CYBMUJFWSA-N	305.426	1.772	50	20	DDGD	
CC[C@H](C)n1nc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1C	843660632	KSWKGKAFNYUOOG-WCQGTBRESA-N	308.382	1.349	50	20	DDGD	
Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNC(=O)CC1CCCC1	749940702	GANBQHAKMNQOKZ-SNVBAGLBSA-N	306.410	1.868	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1nc2ccccc2n1C	748136910	WUGBMHBMUHDOAT-UHFFFAOYSA-N	313.361	1.036	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)C1CCCC1)C(=O)OC(C)(C)C	843527269	CCUQJPFICGFSPF-LBPRGKRZSA-N	312.410	1.938	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cccc2c1CCCC2	748640078	OFNGFEUMZWHBKT-NSHDSACASA-N	310.419	1.921	50	20	DDGD	
CN(C)c1ccc(C=NNC(=O)CNC(=O)c2ccco2)s1	750938575	IFXSRPBFVDSCAF-UHFFFAOYSA-N	320.374	1.287	50	20	DDGD	
Cn1cc(CCC(=O)NC[C@@]2(C)C[C@H]2Br)cn1	857397916	JMSPKAWPYLQFEW-ZYHUDNBSSA-N	300.200	1.642	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1C(=O)NNC(=O)c1cccn1C	756414581	UDQNZYHNZUGXMI-UHFFFAOYSA-N	318.289	1.017	50	20	DDGD	
CCOC1CC(CCNC(=O)NNC(=O)c2cccc(F)n2)C1	852275849	UUTSBJHODDCNCF-UHFFFAOYSA-N	324.356	1.370	50	20	DDGD	
COc1cc(C(=O)NNc2cc(C(F)(F)F)ccn2)nn1C	857513591	HKMARYZKGFNNCP-UHFFFAOYSA-N	315.255	1.599	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@H](C)c2nccn2C)cc(C#N)n1C	856277236	GWSDDYWOACFPKM-DKTFCQPKSA-N	322.372	1.723	50	20	DDGD	
CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)NNc1ncccc1F	852693142	FYHNZQFOIJBDKU-XHDPSFHLSA-N	324.356	1.969	50	20	DDGD	
COC1(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)CCCC1	754174238	RAOBDKWFAYQSIM-LLVKDONJSA-N	324.352	1.700	50	20	DDGD	
C[C@@]1(CNC(=O)c2nccn3ccnc23)C[C@@H]1Br	857389058	XMJPFNBHMNOGAP-UFBFGSQYSA-N	309.167	1.633	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H]2C[C@H]2OC(C)(C)C)n1	857153638	JXNUVKFBTYXCTP-VXGBXAGGSA-N	321.425	1.970	50	20	DDGD	
CC[C@H](CN1CCOCC1)NC(=O)NCCSSC	922390675	WMPPTMCYBUIPHO-LLVKDONJSA-N	307.485	1.408	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2cc(C3CC3)n(C)n2)nn1	927651026	XCEUHSHYWHVXDN-UHFFFAOYSA-N	301.354	1.222	50	20	DDGD	
NC(=O)[C@H]1CC[C@H]1C(=O)NNc1cccc(C(F)(F)F)n1	857133271	DWTBIVHWFLYBAS-NKWVEPMBSA-N	302.256	1.055	50	20	DDGD	
CC(C)CN(C)S(=O)(=O)NC[C@]1(C)C[C@@H]1Br	856755043	RLCNDSHIPNKNED-UWVGGRQHSA-N	313.261	1.582	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CC(F)(F)F)c(OC)c1	755391591	NMWOMVITFLYROM-UHFFFAOYSA-N	321.255	1.809	50	20	DDGD	
C[C@@H](Cc1ccc(F)cc1)C(=O)NNC(=O)c1ccncc1	921019015	GWNQVGVVNUDCTE-NSHDSACASA-N	301.321	1.861	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)Nc2ccsc2)C[C@@H]1Br	857006334	WCTKRGNJRHWXHF-KWQFWETISA-N	317.208	1.976	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1ccc(C)o1)C1CCOCC1	752995883	JRVWAOZQWZTOGC-LBPRGKRZSA-N	309.366	1.737	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](C(C)C)N1Cc2ccccc2C1=O	854408916	CNQYHMYPGBLFRB-ZDUSSCGKSA-N	319.361	1.396	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)[C@]1(C)CC1(F)F	855825592	IDZUWVMHJYEXCP-ZDUSSCGKSA-N	319.352	1.122	50	20	DDGD	
Cn1ccc(C=NNC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)c1	853372293	VJZCPHOMMHZIIO-ZIAGYGMSSA-N	315.377	1.377	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc(C(C)C)nc1	854283319	QQCXVKFKKPFDRJ-UHFFFAOYSA-N	324.450	1.693	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	754676937	QVJGXBDYJMTUDB-XQQFMLRXSA-N	307.394	1.465	50	20	DDGD	
Cc1nnc([C@H](C)NC(=O)NNc2ncc(Cl)cn2)s1	856884482	BSHCWANVFRVKLG-YFKPBYRVSA-N	313.774	1.677	50	20	DDGD	
Cc1ccc(F)c(CC(=O)NNC(=S)NCC2CCC2)c1	855092752	PHPQSWAZSRMKBQ-UHFFFAOYSA-N	309.410	1.972	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)/C=C(/C)c1cccs1	856983717	WBMNHCXRZWLAPK-QROTZFDESA-N	310.375	1.641	50	20	DDGD	
CC(CC1CCCC1)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	752728316	YTVPMGZMYVVPDK-GFCCVEGCSA-N	301.412	1.429	50	20	DDGD	
COCCN(C)NC(=O)c1cc(Br)cnc1F	861657223	QXVODHSRZUPSBQ-UHFFFAOYSA-N	306.135	1.206	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@H]1CC(=O)N(C2CC2)C1	768225139	CYSPRDMGYLSOGR-GZMMTYOYSA-N	317.227	1.676	50	20	DDGD	
CCSc1ccccc1C(C)=NNC(=O)[C@@H]1CCC(=O)N1	863148328	ZKLYBZIVGRNSOM-LBPRGKRZSA-N	305.403	1.917	50	20	DDGD	
CS[C@H](C)CCC(=O)OCC(=O)NNC(=O)c1ccccc1	762926112	GFOGBPQHHFFKOE-LLVKDONJSA-N	324.402	1.523	50	20	DDGD	
CCC(=O)N1CCCN(S(=O)(=O)CC(C)(C)CCl)CC1	866564229	SLTYWPLAEAEUHF-UHFFFAOYSA-N	324.874	1.526	50	20	DDGD	
CC1(CNC(=O)NNC(=O)CSc2ccccc2O)CC1	763529603	HOHLNBXBMAQZRE-UHFFFAOYSA-N	309.391	1.615	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CCC1(O)CCC1	864493855	LNUHHPPJOFDWMI-LLVKDONJSA-N	324.352	1.436	50	20	DDGD	
COCCOc1cc(C(=O)NNc2cccc(C)n2)ccn1	862521505	PHSUUCUJUSNPCO-UHFFFAOYSA-N	302.334	1.567	50	20	DDGD	
COCCOCC(=O)NNC(=O)[C@H]1CCC[C@H]1c1ccccc1	869904112	PVHRCHSSAVBZDB-GJZGRUSLSA-N	320.389	1.381	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCCCC(=O)NC1CC1	767031126	HQOCUKZLKSVQHK-LLVKDONJSA-N	319.243	1.971	50	20	DDGD	
COC(=O)CCCC(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	764458293	FZCWLFXDCIQURW-UHFFFAOYSA-N	311.294	1.390	50	20	DDGD	
C[C@H]1CN(C(=O)OC(C)(C)C)CC1=NNC(=O)c1ccc[nH]1	863075890	APBGIHHGVKAEDE-JTQLQIEISA-N	306.366	1.987	50	20	DDGD	
CC(C)(C(N)=O)C(=O)NNc1ccc(Br)cc1	768093320	KQQUIMVMKWVZGC-UHFFFAOYSA-N	300.156	1.404	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)C1(F)CCOCC1	865671696	IOLGGIDFSUSFDZ-UHFFFAOYSA-N	306.297	1.698	50	20	DDGD	
COc1ccc(OCC(=O)NNc2cc(C)ncn2)cc1C	768065399	ZHMKPEBKPMRVAV-UHFFFAOYSA-N	302.334	1.624	50	20	DDGD	
Cc1nn(C)cc1CC(=O)NNCC(F)(F)C(F)(F)F	863102088	UUWQQWBSGLZBMG-UHFFFAOYSA-N	300.231	1.089	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2cccc(O[C@H](C)C(=O)O)c2)n[nH]1	764797227	OUSHDEMDMLIEGA-SNVBAGLBSA-N	316.317	1.334	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(Br)nc1)n1ccnc1	1116052802	ZESLBOYXBZYZCB-MRVPVSSYSA-N	310.155	1.745	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)/C=C(\C)c1ccco1	1118627048	RCZJYEBWPNXSTR-MDZDMXLPSA-N	307.350	1.135	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2cccc(OCCC(=O)O)c2)n[nH]1	764793390	MZNQIIPQYMGSSB-UHFFFAOYSA-N	316.317	1.336	50	20	DDGD	
O=C(COC(=O)c1ccoc1Cl)NNC(=O)c1ccccc1	768973972	FUTSRCUIZKLHSL-UHFFFAOYSA-N	322.704	1.551	50	20	DDGD	
C[C@H](C(=O)NNC(=S)Nc1ccc(N(C)C)cc1)N(C)C	874953525	GNGZLPQBUJBPCT-SNVBAGLBSA-N	309.439	1.020	50	20	DDGD	
COCC[C@H](NC(=O)NN=c1cc[nH]c(C)c1)c1ccco1	875473583	YAXPWCVAQYULQP-ZDUSSCGKSA-N	304.350	1.809	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H](C)S[C@H](C)C(=O)O)cc1	872832279	YYMRVBKHQFDLLS-VHSXEESVSA-N	324.402	1.605	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1CCN(c2cccc(OC)c2)C1	875226772	XPRMGHMKSTUKOS-NSHDSACASA-N	322.365	1.186	50	20	DDGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)[C@H](O)c1ccccc1	874751476	FRZGCRXKCDVISY-DKJKAOOUSA-N	324.384	1.955	50	20	DDGD	
NC(=O)CCOc1ccc(NC(=O)NCC(Cl)Cl)cc1	878688237	BKDVFJSRBUPDFU-UHFFFAOYSA-N	320.176	1.866	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1C	770574282	LNIZSPWJXFDRMR-BFHYXJOUSA-N	320.389	1.643	50	20	DDGD	
C=C[C@H](COC)NC(=O)NNc1cccc(Br)n1	1117808234	BMAAVLVSMFCEGB-MRVPVSSYSA-N	315.171	1.671	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCc1ccco1)c1cccnc1	778247043	UNEOKDDXUGQRPO-UHFFFAOYSA-N	302.334	1.483	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1cc(C)ccc1OC	771907697	AETLSOHOWJGVCI-LLVKDONJSA-N	322.361	1.035	50	20	DDGD	
O=C(NNC(=O)c1cccc2ccccc12)N[C@H](CO)C1CC1	778675271	FLDSDBDCMXKJDT-OAHLLOKOSA-N	313.357	1.555	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2ccc(C#N)cn2)C[C@H]1Br	889411081	MAMMIFJYCNZHOO-SKDRFNHKSA-N	324.182	1.753	50	20	DDGD	
CCc1nc2ccc(C(=O)NN(C)C(N)=O)cc2nc1CC	778411940	IXUYEJBDWYSVCA-UHFFFAOYSA-N	301.350	1.410	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCOCc1ccc(OC)cc1	887144115	BSUVNJZHJGSJRX-UHFFFAOYSA-N	318.373	1.553	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1cc(Cl)cc2c1OCC2	887146972	RZKPQGNKEWWJOO-UHFFFAOYSA-N	320.776	1.768	50	20	DDGD	
CCc1noc(C2CCC(=NNC(=O)NCCCOC)CC2)n1	778539763	DSWMDWFTIWOSMK-UHFFFAOYSA-N	323.397	1.981	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(C(=O)OC)cc1F	785847445	JLVSOYPIUBRTAR-UHFFFAOYSA-N	312.301	1.310	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)CCc1ccccc1O)C(F)F	881015478	YKFRUVOLLSXZRN-SNVBAGLBSA-N	315.320	1.699	50	20	DDGD	
O=C(CCC(=O)N1CCOCC1)NNc1cc(F)ccc1F	885145693	BGEONVTZTPTFHN-UHFFFAOYSA-N	313.304	1.047	50	20	DDGD	
C[C@H](CBr)COC(=O)[C@@H]1CCC[C@H](C(N)=O)C1	787834714	UXNTYYIRXXTTAU-KXUCPTDWSA-N	306.200	1.852	50	20	DDGD	
N#Cc1ccc(NNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)nc1	888665921	IUWSEJHSWRWRQK-YUTCNCBUSA-N	313.361	1.537	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCO[C@H]1CCOC1	885731101	JETRHYCOWUSPOM-LBPRGKRZSA-N	315.801	1.274	50	20	DDGD	
O=Cc1ccc([N+](=O)[O-])c(OS(=O)(=O)CBr)c1	782429657	DFOVWTJSZZPSLQ-UHFFFAOYSA-N	324.108	1.468	50	20	DDGD	
O=C(CCc1cccs1)NNc1ccc(-n2ccnc2)nn1	788181471	SGGADDMJEFPLLR-UHFFFAOYSA-N	314.374	1.800	50	20	DDGD	
CCCC1CCC(NC(=O)NNC(=O)c2cccnn2)CC1	883188007	BBIZCSDPTYMCBY-UHFFFAOYSA-N	305.382	1.780	50	20	DDGD	
CCOC(=O)C[C@@H](C)CNC(=O)NNc1ncncc1Cl	781012664	DZHMVZVZSSFHEL-MRVPVSSYSA-N	315.761	1.345	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=Cc1c(Cl)cnn1C	780194169	HENLRLCMBRNWPC-UHFFFAOYSA-N	316.752	1.794	50	20	DDGD	
CC1(C(=O)NNC(=O)COc2ccccc2O)CCCCC1	780630100	NHBFHCZTHBYXKZ-UHFFFAOYSA-N	306.362	1.889	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1csc(N2CCCCC2)n1	897289643	DRMYSKNKQZYKMD-UHFFFAOYSA-N	311.411	1.440	50	20	DDGD	
CC(C)Cn1ccc(C(=O)NNCC(F)(F)C(F)(F)F)n1	899142005	JVWDBONEVCJDFB-UHFFFAOYSA-N	314.258	1.971	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)CSc2ccccc2O)CO1	784460377	YBJQPFQPTVUENG-VHSXEESVSA-N	310.375	1.057	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)[C@H]1CCC=CO1	788566753	FUJZGRBUYCAORY-SNVBAGLBSA-N	303.347	1.736	50	20	DDGD	
CN(C)Cc1cccc(CNS(=O)(=O)CBr)c1	782412397	VYDRTPZJLDUJIM-UHFFFAOYSA-N	321.240	1.520	50	20	DDGD	
C[C@H]1CCc2[nH]nc(C(=O)NNC(=O)CC3CCCC3)c2C1	896032695	HEHZSRORWBSVEH-JTQLQIEISA-N	304.394	1.876	50	20	DDGD	
CN(C)N(C(=O)c1ccnc(C2CC2)c1)[C@@H]1CCS(=O)(=O)C1	783387609	MBBXPLNWUOMUMD-CYBMUJFWSA-N	323.418	1.065	50	20	DDGD	
CCOCCC1(C(=O)NNC(=O)NCC(F)(F)F)CCC1	798313591	JPTUUJFGPDCVHC-UHFFFAOYSA-N	311.304	1.476	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNC(=O)NC2CCCCC2)s1	899940860	YKHVLTHAMIPACU-UHFFFAOYSA-N	310.423	1.966	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cn3c(n2)CCCC3)c1	799333148	UXBQARQMOMZPBH-UHFFFAOYSA-N	309.329	1.166	50	20	DDGD	
Cc1cccnc1NNC(=O)Cn1cc(Br)cn1	791217629	WCXPPEXDWYRALL-UHFFFAOYSA-N	310.155	1.492	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)o1	794180377	JQDSOHVGVDHNIK-UHFFFAOYSA-N	308.297	1.636	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)c1ccnc(O)c1	790295576	JDMSAPRRRJVLEJ-UHFFFAOYSA-N	318.358	1.119	50	20	DDGD	
O=C(NNc1ncccn1)c1nc(Br)ccc1F	792045697	ALKKMJYNJHIZQC-UHFFFAOYSA-N	312.102	1.530	50	20	DDGD	
Cn1[nH]cnc1=NC(=O)NNc1cc(Cl)cc(Cl)c1	792337406	IYRLCZSXEMEKHJ-UHFFFAOYSA-N	301.137	1.692	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc(C(C)(C)C#N)cc1	792854583	ZSAVMZNMTYCLGX-UHFFFAOYSA-N	310.357	1.901	50	20	DDGD	
O=C(NN=Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(O)c(O)c1	794550294	CXVOMUWHRVSHTI-UHFFFAOYSA-N	317.257	1.476	50	20	DDGD	
O=C(COc1cc(Cl)c(Cl)cc1Cl)NCB(O)O	585057069	JXCVMUBILOEUQS-UHFFFAOYSA-N	312.345	1.154	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccnc(Cl)c2F)n1	794083016	DVWLANKJVAZGKM-UHFFFAOYSA-N	308.700	1.652	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)COc1ccc(C#N)cc1	792801093	LPWDAUMTZBKEOY-NHYWBVRUSA-N	319.361	1.146	50	20	DDGD	
O=C(NNC(=O)c1cccc(O)c1O)c1ccc([N+](=O)[O-])cc1	790483830	ULOZYDPNYNODRS-UHFFFAOYSA-N	317.257	1.081	50	20	DDGD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)c1cc(Cl)ccc1O	794901120	DGEYRUOUQPPQHA-BDAKNGLRSA-N	324.764	1.812	50	20	DDGD	
CC(C)n1nccc1C=NNC(=O)Cn1cnc2ccccc21	794472571	ZCIHVQHRYFAAEF-UHFFFAOYSA-N	310.361	1.964	50	20	DDGD	
C[C@@H](Oc1ccc(C=NNC(=O)c2cnccn2)cc1)C(=O)O	794888483	ODHZFNCYAYZPGF-SNVBAGLBSA-N	314.301	1.092	50	20	DDGD	
Cc1noc([C@@H](C)NC(=O)NNC(=O)c2ccccc2Cl)n1	1318155536	JWNJDFKQZWIRAT-SSDOTTSWSA-N	323.740	1.737	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc(F)c(OC)c1	1319574140	XNSFWMKEGIVUHM-UHFFFAOYSA-N	309.341	1.589	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1c[nH]cc(Cl)c1=O	1325277431	KQTJTSJNQVVFID-UHFFFAOYSA-N	307.741	1.699	50	20	DDGD	
Cc1nn(C)cc1C(=O)NNc1cncc(Br)c1	1323070280	ARZPZRUUFPXWAN-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
Cc1nn(CCO)c(C)c1C=NNC(=O)OCC(F)(F)F	1328015190	ZCXAZDKTGGNKAK-UHFFFAOYSA-N	308.260	1.115	50	20	DDGD	
Cc1c(C#N)cccc1C(=O)NNC(=O)CCc1ccccc1O	1321285898	AHIRUGVFNSGFHE-UHFFFAOYSA-N	323.352	1.966	50	20	DDGD	
COc1nc(Cl)c(C=NNC(=O)N=c2cc[nH]cc2)n1C	1326239006	BJLUQMWYOGXQHV-UHFFFAOYSA-N	308.729	1.055	50	20	DDGD	
O=S(=O)(CBr)N1CCCC2(CCNCC2)C1	1329591424	UGFPCSPQJBEGGB-UHFFFAOYSA-N	311.245	1.134	50	20	DDGD	
COC(=O)C(=O)NN=C1C[C@H](OCc2ccccc2)C1(C)C	1324944524	FNYIBXGNHKKXCB-ZDUSSCGKSA-N	304.346	1.647	50	20	DDGD	
O=C(COCc1ccncc1)NNc1nccnc1C1CCC1	1327054838	YBXSHEOYXXTHAT-UHFFFAOYSA-N	313.361	1.799	50	20	DDGD	
CCc1onc(C)c1C=NNC(=O)c1n[nH]c2c1CCCC2	1336230894	NFJNQOHDYKNZKJ-UHFFFAOYSA-N	301.350	1.911	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1cc(O)cs1	1330617312	DJNOMLITMHZGSF-UHFFFAOYSA-N	306.347	1.130	50	20	DDGD	
COC(=O)c1ccccc1C(=O)NN(C)C(=O)OC(C)(C)C	1337320146	XKBGSPBQOLYJPJ-UHFFFAOYSA-N	308.334	1.985	50	20	DDGD	
C=C(C)[C@H](CC(=O)NNC(=O)c1n[nH]c2c1CCCC2)OCC	1335748689	RTDDVAGPNMSBRA-ZDUSSCGKSA-N	320.393	1.421	50	20	DDGD	
CC(C)CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)C1CCCC1	1346208317	PXOCLTWLVRMLDM-CQSZACIVSA-N	323.437	1.751	50	20	DDGD	
CC(=O)NC1CCC(C(=O)NNc2cc(Cl)ccn2)CC1	1351730986	IEHPJCGLUOPHPU-UHFFFAOYSA-N	310.785	1.873	50	20	DDGD	
O=C(NCCSSCCNC(=O)[C@@H]1C[C@H]1F)[C@@H]1C[C@@H]1F	1350100810	OQHUREVJQBZBHO-KYXWUPHJSA-N	324.418	1.316	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2cc(C(=O)O)ccc2F)cn1	1600944966	CQYLDULMQHAXBV-WCIBSUBMSA-N	314.276	1.803	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1ccc(C(=O)O)cc1	1608477418	JVKJEELSYORBQV-LLVKDONJSA-N	307.306	1.107	50	20	DDGD	
CCCn1ncc(C(=O)NNc2ccc(CC(=O)O)cc2)c1C	1605391687	DQSDWSSKBQTITR-UHFFFAOYSA-N	316.361	1.986	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)c1cccnc1S	1608936337	NCAQTNGMXXQQMF-UHFFFAOYSA-N	307.306	1.965	50	20	DDGD	
CCC(=NNC(=O)c1ccc[nH]1)c1ccc(-c2nn[nH]n2)cc1	1603965757	OSJMMCVTFSCYGC-UHFFFAOYSA-N	309.333	1.739	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)O)O1	1600585373	RCFNSEHLEXXITP-YUSALJHKSA-N	321.333	1.026	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCc1oncc1C(=O)O	1608170271	LTEQFWYRVAZLDK-BJMVGYQFSA-N	314.253	1.729	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1c[nH]c(C(=O)O)c1)c1ccccc1	1604869983	SRJJVEDCBJMESR-LBPRGKRZSA-N	315.329	1.668	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2CCCc3cccnc32)nc1	1608903997	CWAJUNBUOLCBLB-LBPRGKRZSA-N	312.329	1.738	50	20	DDGD	
NC(=O)[C@H]1CCC[C@H](C(=O)NNc2cccc(F)c2C(=O)O)C1	1601146850	ZWUWCMVYFARDNY-IUCAKERBSA-N	323.324	1.259	50	20	DDGD	
CO[C@@H](C1CC1)[C@@H](C)NC(=O)NNc1cccc(C(=O)O)c1	1606668611	BFQJLZXJXWFQOG-NOZJJQNGSA-N	307.350	1.824	50	20	DDGD	
Cn1cc(C(=O)NN=C2CCC[C@H](CCCC(=O)O)C2)cn1	1610600528	WUPPCLZNGOBIDS-LLVKDONJSA-N	306.366	1.951	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cccn2C)ccc1C(=O)O	1610473637	LOQOEYKEAYHPAI-UHFFFAOYSA-N	316.317	1.498	50	20	DDGD	
COc1cc(OC)cc([C@@H](C(=O)O)N2CC=C(C#N)CC2)c1	1610307974	ZYZIBXSRBAAGAB-HNNXBMFYSA-N	302.330	1.985	50	20	DDGD	
CNC[C@@H](O)[C@@H](C)C(=O)NNc1cccc(Cl)c1Cl	1578644142	GFKLVJACBVRKML-GMSGAONNSA-N	306.193	1.653	50	20	DDGD	
C=C[C@H](NNC(=O)COc1ccc(Cl)cc1Cl)C(=O)O	1588700227	GCIGTEVNMMEKMM-VIFPVBQESA-N	319.144	1.632	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)C1(C(=O)O)CCCCC1)C1CC1	1589120827	AIQFTRYKGBJXJB-VIFPVBQESA-N	313.423	1.315	50	20	DDGD	
CN(CC(=O)O)Cc1cn(/C(Cl)=C/CBr)nn1	1593722869	RLMGEVRMGIYDQI-KRXBUXKQSA-N	323.578	1.227	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)Nc1cc(C(=O)O)nn1C	1592039867	QOSBQZHGYOGBDJ-UHFFFAOYSA-N	319.325	1.180	50	20	DDGD	
Cc1cnc2n1CCC2=NNC(=O)Nc1ccc(C(=O)O)cc1	1776046842	KNQDLTHZVBPYGL-UHFFFAOYSA-N	313.317	1.819	50	20	DDGD	
CC(C)OCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl	1796804052	KIWAENPZIQVDMQ-LSCVPOLPSA-N	320.792	1.584	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl)[C@@H]1CC1(F)F	1796808351	BVGZJHCSBCMWGC-CVPUBMOQSA-N	324.730	1.814	50	20	DDGD	
CC[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(Cl)Cl)C2	1792984925	NNQJLBKJCBCEJJ-JXUBOQSCSA-N	323.220	1.199	50	20	DDGD	
CCc1oc2ccccc2c1C(=O)NNC(=O)C(=O)NC(C)C	160281895	QROQYJPYIGCGDA-UHFFFAOYSA-N	317.345	1.281	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NOCc2cccnc2)cc(C#N)n1C	153240689	ZJHCJDCUTUWLBE-UUASQNMZSA-N	321.340	1.755	50	20	DDGD	
C[C@@H](c1ccccc1)[C@](C)(O)C(=O)NNc1ncc(F)cn1	157440496	CYXBAPJTCULUQA-BONVTDFDSA-N	304.325	1.614	50	20	DDGD	
CSC1(CNS(=O)(=O)CCCCCl)CCOCC1	154427078	KFIIDHFYXMFNAN-UHFFFAOYSA-N	315.888	1.837	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCC[C@@H]1CN1CCOCC1	154454292	MQPIJKNRYPDONO-CYBMUJFWSA-N	324.874	1.132	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=C[C@@H]1CC1(Cl)Cl	853329077	WJFDZBBLRQJEHV-ZETCQYMHSA-N	310.181	1.807	50	20	DDGD	
CCNC(=O)CCC(=O)N(C)NC(=O)OCc1ccccc1	862286930	DUQSTEFSIBZOIA-UHFFFAOYSA-N	307.350	1.203	50	20	DDGD	
CN1CCC(CCNC(=O)NNC(=O)c2ccccc2O)CC1	103320500	PKUTVHYSEYAYSQ-UHFFFAOYSA-N	320.393	1.068	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccc(-n2cccc2)cc1	103424535	PTHXLTOQVAJXHM-UHFFFAOYSA-N	320.352	1.876	50	20	DDGD	
CN(C)CC(=O)NNC(=O)CSc1ccccc1Cl	113424005	FKIXJKFLTYTKDL-UHFFFAOYSA-N	301.799	1.141	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1c(C(C)C)nn(C)c1Cl	119456130	OJHOXSBYUDAILZ-UHFFFAOYSA-N	324.772	1.303	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)c2cc(Cl)ccc2O)o1	175185077	WBHMHVIBDANXGX-UHFFFAOYSA-N	309.709	1.725	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1ccncc1	27264954	WYPXSKLHXICQOU-UHFFFAOYSA-N	305.721	1.818	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Nc2cccc3cccnc23)cn1	172217681	ALCHZPNUXUYNRP-UHFFFAOYSA-N	310.317	1.435	50	20	DDGD	
CSc1nc(C(=O)NNc2ncccn2)c2ccccn12	67791578	MXMDOCPBIOQCCC-UHFFFAOYSA-N	300.347	1.603	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H](C)Cc1ccc(OC)cc1	179889795	IMZIACKQSSPXJF-LLVKDONJSA-N	307.419	1.555	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCn2ccnc2C1)c1cccc(Cl)c1	178723089	VIDHUUIBCWLTNC-LLVKDONJSA-N	318.764	1.560	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc2ncsc2c1	171011369	GCKASRVOAORHRN-UHFFFAOYSA-N	300.343	1.710	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cccc3c2OCCO3)cc1	61462271	HYJGXDVHBYTJRT-UHFFFAOYSA-N	323.308	1.404	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1cc2c(s1)CCCC2	171660622	AHHFNRGUJXXUOV-UHFFFAOYSA-N	304.375	1.354	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1ccc(C(N)=O)nc1	129895832	MOBINOSFNCLNQE-UHFFFAOYSA-N	315.285	1.925	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Cc2n[nH]c3c2CCCC3)n1	188764760	ZIMVSGBYOMNRKK-UHFFFAOYSA-N	300.366	1.381	50	20	DDGD	
CCCNC(=O)CCNC(=O)/C(C#N)=C\c1ccc(O)cc1	188248911	OKLPKQORXIUKMY-RAXLEYEMSA-N	301.346	1.332	50	20	DDGD	
CCOC1CC(CC(=O)NNC(=O)c2ccc(C#N)cc2)C1	189828863	JJEVIVMRSMXSCG-UHFFFAOYSA-N	301.346	1.524	50	20	DDGD	
CN(NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)C(N)=O	181067199	HOVHYOLNEWUAQX-UHFFFAOYSA-N	308.725	1.579	50	20	DDGD	
CC(C)[C@]1(C)C[C@H]1C(=O)NNc1nccc(N2CCOCC2)n1	185761103	BSDIWCOMCMCEKU-LRDDRELGSA-N	319.409	1.439	50	20	DDGD	
CC[C@H]1C[C@@H](C(=O)NNC(=O)Cc2ccccc2F)CCO1	180121820	INNWXOVBSAWIFO-STQMWFEESA-N	308.353	1.721	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccccc1C[S@@](C)=O	184321016	SWNBAWMOWAWVDY-CHNSCGDPSA-N	311.407	1.764	50	20	DDGD	
CCOCc1ccc(CNC(=O)NNC(=O)c2ccc[nH]2)cc1	125993134	UQLBYRFASWTZHE-UHFFFAOYSA-N	316.361	1.695	50	20	DDGD	
CNS(=O)(=O)[C@@H]1CCCN(/C(=C/C#N)c2ccc(F)cc2)C1	79322594	LSOSJHYVVXKHTP-VLHYRRCOSA-N	323.393	1.704	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)OCC(=O)N2CCCC2)cc1	33415412	WXLXKNSFLPXFHY-UVTDQMKNSA-N	314.341	1.768	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)/C=C\c2ccco2)cc1	35003848	BZDHWQGHWPKSQN-HJWRWDBZSA-N	300.314	1.828	50	20	DDGD	
CC(C)OCCCC(=O)NNC(=O)NCCc1cccs1	184207752	WJSYBGHTHYMLAK-UHFFFAOYSA-N	313.423	1.826	50	20	DDGD	
CSc1cccc(C(=O)NNc2ncccn2)c1[N+](=O)[O-]	188038872	YSAJNHYYUHASMM-UHFFFAOYSA-N	305.319	1.864	50	20	DDGD	
C/C=C/C=C\C(=O)NNC(=O)Cn1c(CC)nc2ccccc21	214218483	KPGFLAJBXQYSBM-FPFHCWEWSA-N	312.373	1.878	50	20	DDGD	
COc1nccnc1NNC(=O)C[C@@H]1OCCc2ccccc21	132165683	CMGIZVMKBRVRBM-ZDUSSCGKSA-N	314.345	1.632	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cccc(C(=O)O)c1Cl	188717123	ARHTWBACPAGXQI-JXMROGBWSA-N	308.721	1.708	50	20	DDGD	
CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)CN(C)C	75653517	CFWHXTOXWITWMU-GFCCVEGCSA-N	307.394	1.288	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NNC(=O)c1cccnc1	184522250	HCFNBNOPALNSTH-TZMCWYRMSA-N	305.378	1.828	50	20	DDGD	
Cc1ccc(O[C@@H](C)C(=O)NNC(=O)Cc2ccncc2)cc1	81025144	VKGFWZNTRBHIMU-ZDUSSCGKSA-N	313.357	1.547	50	20	DDGD	
Cc1nc(C)c(CNC(=O)NNC(=O)Cc2ccncc2)s1	83233891	CRCRJZMWHTYTRO-UHFFFAOYSA-N	319.390	1.228	50	20	DDGD	
Cc1ccc(C(=O)N[C@@H](C(=O)NNC(=O)N(C)C)C(C)C)cc1	194932906	OGZOYDDIOZKQQT-CYBMUJFWSA-N	320.393	1.052	50	20	DDGD	
CSCC[C@@H](C)NC(=O)NNC(=O)c1ccc(C#N)cc1	131964052	OWMLKAHMHMRNNW-SNVBAGLBSA-N	306.391	1.644	50	20	DDGD	
CCS(=O)(=O)C[C@H](C)N(C)CCI	190890888	MXXDYLKBCAPCQK-QMMMGPOBSA-N	319.208	1.176	50	20	DDGD	
Cc1ccc(F)c(NC(=O)C(=O)NNc2cc(C)ncn2)c1	190142230	ALWAYRMJSSYHLL-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC2[C@@H](C)CCC[C@@H]2C)n1	86427929	IFRQOXPEBAVXSK-QWRGUYRKSA-N	321.425	1.655	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CCSc1ccccn1	88241617	CLSVMGCXQFJXDG-UHFFFAOYSA-N	312.464	1.858	50	20	DDGD	
CC(C)C[C@@H](C)NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	269768237	ATTBBWHRBSYQBI-RISCZKNCSA-N	321.377	1.591	50	20	DDGD	
CCCN(CCC)C(=O)CCCC(=O)NNC(=O)c1ccc[nH]1	264318509	OMPGKTSXPRINEM-UHFFFAOYSA-N	322.409	1.595	50	20	DDGD	
C[C@H]1CC[C@@H](CCC(=O)NNc2nc(-c3cccnc3)no2)O1	266468259	RXPXIGJDKMHWKQ-JQWIXIFHSA-N	317.349	1.922	50	20	DDGD	
CCCCC[C@H](C)NC(=O)NNc1nc(O)c2cnn(C)c2n1	269342036	FYMJOZBCSFTOSV-VIFPVBQESA-N	321.385	1.664	50	20	DDGD	
O=C(NCCOc1ncccc1Cl)NNC(=O)C1CCC1	268557127	OEKCOODPYDXGRW-UHFFFAOYSA-N	312.757	1.244	50	20	DDGD	
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cccn1C	264135202	SVOVTXDWJLKWFN-JTQLQIEISA-N	324.381	1.089	50	20	DDGD	
CC[C@@H](Sc1ccccc1)C(=O)NNC(=O)N1CCOCC1	264730114	ZIOFYFDWUCMNLG-CYBMUJFWSA-N	323.418	1.630	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCCOCC1CC1	264508551	RNQXQTVEJCCQEQ-UHFFFAOYSA-N	309.341	1.125	50	20	DDGD	
Cn1cc([C@@H]2C[C@H]2C(=O)NNc2ccccc2[N+](=O)[O-])cn1	363438598	PEYQWKCYULYESM-WDEREUQCSA-N	301.306	1.575	50	20	DDGD	
COc1ccc(COCCNC(=O)NNC(=O)CC(C)C)cc1	271582247	VMVJTZQQPMSZIM-UHFFFAOYSA-N	323.393	1.588	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccnc1N1CCCCC1	273039480	VBIMTRLYOPEFLB-UHFFFAOYSA-N	305.382	1.378	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)C(=O)N1CCC[C@H](C)C1	274441706	HNGOKBNZKRQITH-NSHDSACASA-N	303.362	1.015	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@@H]1CCCN1C(N)=O	271959202	FKMATRKCADUFLI-ZDUSSCGKSA-N	313.361	1.529	50	20	DDGD	
COc1ccc(NNC(=O)CN(C)C(=O)OC(C)(C)C)nc1	275690058	XPKHFUCMPZXDNS-UHFFFAOYSA-N	310.354	1.400	50	20	DDGD	
Cc1ccccc1[C@H](CC(=O)N1CC=C(C#N)CC1)NC(N)=O	270897160	DRHUDSKRFDDARB-HNNXBMFYSA-N	312.373	1.777	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(O)nc(C(C)C)c2)n1	271777281	JYXMUVSEGMIFAI-UHFFFAOYSA-N	317.349	1.775	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F)c1ccc[nH]1	372280950	IWMYKRMPDFLZNU-KYXWUPHJSA-N	317.267	1.132	50	20	DDGD	
Cc1ncccc1C(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C	273303262	URGOVGXIYHCGMZ-JTQLQIEISA-N	322.365	1.064	50	20	DDGD	
Cn1cc([C@@H]2C[C@H]2C(=O)NNc2cnc3ccccc3n2)cn1	375997116	DQNHKVJLHXJSEB-NWDGAFQWSA-N	308.345	1.610	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@@H]2CCC[C@@H](OC)C2)nc1	281380948	YJRMMXCHZOAOGP-DGCLKSJQSA-N	321.377	1.907	50	20	DDGD	
COCCCn1nccc1/C=C(\C#N)C(=O)NC1CCCC1	282687489	QZFVQSBASLBLMR-ACCUITESSA-N	302.378	1.885	50	20	DDGD	
C[C@@H](CN)C(=O)NNc1c(F)cc(F)cc1Br	285762275	KTACNMFDPLYNLP-YFKPBYRVSA-N	308.126	1.765	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CC[C@@](C(=O)OC)(C(F)(F)F)C1	286470237	TVBZHYZYLNOJQA-YPUOHESYSA-N	320.267	1.384	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NNC(=O)c1ccccc1	281328226	JDUJJNZMJGXUKD-KGLIPLIRSA-N	303.362	1.612	50	20	DDGD	
CCCC[C@H](C)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1	282187668	WIABMOAJCZYTEM-NSHDSACASA-N	316.365	1.250	50	20	DDGD	
COCCc1ccnc(NC(=O)NNc2ncccc2F)c1	806660379	WMMHSIHBLPWWII-UHFFFAOYSA-N	305.313	1.953	50	20	DDGD	
N#CSCCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1	808025872	QJPSXRCHJGMWTL-LLVKDONJSA-N	321.377	1.899	50	20	DDGD	
O=C(NC[C@@H]1CCCSC1)NNc1ncncc1Cl	808307776	BBZYCJAUOPXTJV-QMMMGPOBSA-N	301.803	1.899	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccc(Br)nc1)C(=O)OC	802534424	UFGIUCMZSQMXBA-QMMMGPOBSA-N	316.155	1.486	50	20	DDGD	
COCCOc1ncccc1C(=O)NNc1ncccc1F	804215028	ZJNGJICZPHVEML-UHFFFAOYSA-N	306.297	1.398	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)C(C)(C)C1CC1	806345374	VRQXCJPFSKBBKB-UHFFFAOYSA-N	300.362	1.840	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC2CC2)nc(C(F)(F)F)n1	294314743	XVDMLYOUHMPLGN-UHFFFAOYSA-N	302.256	1.365	50	20	DDGD	
O=C(CC1CCOCC1)NNC(=O)Nc1ccc2c(c1)OCO2	802096545	UVHDXICCSLLBJE-UHFFFAOYSA-N	321.333	1.385	50	20	DDGD	
CC(=O)N[C@H](CC1CCC1)C(=O)NNc1cccc(Cl)n1	293689885	MFAAHSYIGXAPMC-LLVKDONJSA-N	310.785	1.873	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)NCc1cccs1	804030659	KHIYWRSKZYTCAC-UHFFFAOYSA-N	323.349	1.797	50	20	DDGD	
O=C(NNc1ncccc1F)[C@H]1C[C@H](c2ccccc2)OC1=O	809891646	VLPRWVHUHGQYKP-DGCLKSJQSA-N	315.304	1.968	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)CCCC#N)cc1	291217882	NFOOCWUEIGKKCU-UHFFFAOYSA-N	310.379	1.074	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CCCn2cccn2)cc1	802055998	ASASSWUQCHIYEF-UHFFFAOYSA-N	317.349	1.525	50	20	DDGD	
O=C1CC[C@H](CC(=O)NNc2cc(Cl)nc(Cl)c2)CN1	819746485	CLOVXAFMADOGCH-SSDOTTSWSA-N	317.176	1.748	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)c1cc(Cl)ccc1O	812454878	SDCOCZAOFKXSLK-IUCAKERBSA-N	314.769	1.725	50	20	DDGD	
Cc1cc(C(=O)NNc2nc[nH]n2)c(C)n1-c1nccs1	816631350	OLEWJZINDZXVNB-UHFFFAOYSA-N	303.351	1.426	50	20	DDGD	
O=C(CCc1nc2ccccc2[nH]1)NNc1ncncc1F	817080505	RGDQAPWLFKMHSZ-UHFFFAOYSA-N	300.297	1.568	50	20	DDGD	
COCCN1[C@H]2CC[C@H]1CC(=NNC(=O)c1ccc(N)cc1)C2	814690504	NZGGPLVMNBCAAG-HOTGVXAUSA-N	316.405	1.628	50	20	DDGD	
CC(CN1Cc2ccccc2C1=O)=NNC(=O)Cc1cc[nH]n1	814955346	CIPIYLAQWSDGKM-UHFFFAOYSA-N	311.345	1.100	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNC(=O)Cc1ccc2ccccc2c1	810152080	LMHCTOWHRUJSGI-SFHVURJKSA-N	312.369	1.857	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)c1nc(C)oc1C	814310883	ZFMIIUFOWRBWHB-UHFFFAOYSA-N	320.374	1.931	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC(c2nc(N(C)C)n[nH]2)CC1	819673312	LVZRQWOCLRQCOZ-ZRDIBKRKSA-N	318.381	1.021	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)CCCCN(C)C)c1	729286787	ZWENJJXFMJVXLI-UHFFFAOYSA-N	321.421	1.562	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1nc2c(C)ccnc2[nH]1	829524192	DGLOYJPQQPVNHC-MRVPVSSYSA-N	307.379	1.304	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2cccc(-c3nn[nH]n3)c2)c1	826387016	CETGPOFNXOUYRE-UHFFFAOYSA-N	305.301	1.495	50	20	DDGD	
CN(NC(=O)CNC(=O)CC1CCCC1)C(=O)OC(C)(C)C	496901116	JAHSRJCPUQFWJA-UHFFFAOYSA-N	313.398	1.581	50	20	DDGD	
O=C(/C=C\c1ccc2c(c1)OCO2)NNC(=O)C1CCCC1	491094275	WSSVWQTWWPQIRB-VURMDHGXSA-N	302.330	1.766	50	20	DDGD	
O=C(Cc1ccc(-c2nn[nH]n2)cc1)NNc1cccc(F)c1	826421937	GJTHCUYOWIUOAU-UHFFFAOYSA-N	312.308	1.692	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1CCc2c(F)cccc2C1	827280923	FIXTYENFAGNSDB-ZYHUDNBSSA-N	321.352	1.350	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F	822963839	JYJOLXBSSWWTFQ-WDSKDSINSA-N	321.126	1.563	50	20	DDGD	
CCCC(=O)N1CSC[C@@H]1C(=O)NNC(=O)OC(C)(C)C	491037474	BHLVSPFLJRNDQK-SECBINFHSA-N	317.411	1.244	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C	495691891	DTGWZSWOVHCIOR-NXEZZACHSA-N	315.370	1.409	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NNC(=O)C1CCC2(CC1)CC2	825266674	MIZWPXONLGCAAT-UHFFFAOYSA-N	319.361	1.127	50	20	DDGD	
Cc1ncccc1C=NNC(=O)c1nnc(O)c2ccccc12	728779185	JWOBEUQCZRKGFN-UHFFFAOYSA-N	307.313	1.803	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NC[C@@H]2CC[C@H](C)O2)cc(C#N)n1C	491046172	GRFBHONUTDUAKD-BJYOIMKBSA-N	312.373	1.796	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@H]1CCN(C(C)(C)C)C1=O	827080685	JKSPLTNADAITDH-NSHDSACASA-N	305.382	1.416	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(N(C)C(=O)OC)cc1	494365203	QAGPLFYQUUXDQX-UHFFFAOYSA-N	310.310	1.672	50	20	DDGD	
C[C@@H]1CCCN(c2cc(C(=O)NN(C)[C@H](C)CO)ccn2)C1	823922625	LJMVPSGQDQTCDP-CHWSQXEVSA-N	306.410	1.275	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc3c(c2)CCOC3)n1	821480552	FTGPTGSEAAFJKV-UHFFFAOYSA-N	300.318	1.315	50	20	DDGD	
CCc1cccc2c1OCC[C@H]2NCc1ccccc1B(O)O	585022681	WDJJFFPZHKISEI-QGZVFWFLSA-N	311.190	1.542	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ncc(C(F)(F)F)cc1Cl	822557575	MMRUCDDDWAQMOI-ZCFIWIBFSA-N	311.691	1.711	50	20	DDGD	
CN(NC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1)C1CC1	496870397	IBYONAMZJOBHLN-CQSZACIVSA-N	317.389	1.771	50	20	DDGD	
CCOC(=O)N1CCC(C(=O)NNC(=O)c2ccc(C)o2)CC1	493010283	RNTPXHJYAHXSNY-UHFFFAOYSA-N	323.349	1.218	50	20	DDGD	
CCOc1cc(/C=C/C(=O)NNC(=O)C2CCC2)ccc1O	492520026	HUSPDISIUHZWQG-VQHVLOKHSA-N	304.346	1.752	50	20	DDGD	
CCn1cc(C=NNC(=O)C23CC4CC(CC(C4)C2)C3)nn1	901138037	FTTCYSNUJSJLIL-UHFFFAOYSA-N	301.394	1.965	50	20	DDGD	
O=S(=O)(c1ccc(CCCCl)cc1)N1CC[C@H]1CO	907826887	VOMSUDCSFHVVIL-LBPRGKRZSA-N	303.811	1.613	50	20	DDGD	
CC(C)CCOC1CCN(CC(=O)NNC(=O)C(C)C)CC1	827420852	XRIUXGNTNWVHPJ-UHFFFAOYSA-N	313.442	1.317	50	20	DDGD	
CCN1C[C@H](C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)CC1=O	737111120	IDFDVECYSIUWEC-MRVPVSSYSA-N	322.273	1.067	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(NC(=O)OC)cc1C	822547528	NKFJHTHJHZSCTA-UHFFFAOYSA-N	310.379	1.254	50	20	DDGD	
O=C(Cn1nc(C(F)F)cc1C1CC1)NNc1cnccn1	822062904	WAABYDLILDSRTR-UHFFFAOYSA-N	308.292	1.631	50	20	DDGD	
COc1ccc([C@H](NCc2ccc(B(O)O)cc2)C2CC2)cc1	585015166	QTHLPGNWGDKGPW-GOSISDBHSA-N	311.190	1.616	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)N3CC[C@H](B(O)O)C3)n[nH]2)cc1C	585066740	QQJYSMKRISLMGT-ZDUSSCGKSA-N	313.166	1.382	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCCOC(F)(F)F	491176878	SIDLDJPTRDJXSA-YFHOEESVSA-N	300.236	1.952	50	20	DDGD	
CN(C)c1ccc(CNC(=O)[C@]2(C)C[C@@H]2Br)cn1	906074411	VNSSVLBTRUFCLM-GXFFZTMASA-N	312.211	1.937	50	20	DDGD	
C[C@@H]1O[C@H](C)CC1=NNC(=O)NCCNC(=O)OC(C)(C)C	496200058	LVARWXIZBMMEIK-ZJUUUORDSA-N	314.386	1.364	50	20	DDGD	
COC1(c2nc(-c3cccc(B(O)O)c3)no2)CCCCCC1	904133659	UUYKQZLHDGKPPP-UHFFFAOYSA-N	316.166	1.612	50	20	DDGD	
CC(=O)N1CCC(CNC(=O)[C@@]2(C)C[C@H]2Br)CC1	906584990	ZGQGMNYAARXFFD-YPMHNXCESA-N	317.227	1.535	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C=NNC(=O)C(F)F)C1	496785467	NBHXGZBUPGDKCH-AMIZOPFISA-N	303.309	1.611	50	20	DDGD	
OB(O)c1ccccc1CN[C@H]1CC[C@@H](c2ccccc2F)C1	585038999	LXJHLQPEPHWPGQ-HIFRSBDPSA-N	313.181	1.931	50	20	DDGD	
C[C@@H](CNC(=O)NNc1cccc(Br)n1)N(C)C	838685775	VZILHRBTYZPBQU-QMMMGPOBSA-N	316.203	1.420	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCOCC(F)F)cc1	838568428	UMMMGVAVQVRPDV-UHFFFAOYSA-N	303.309	1.993	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)N[C@@H]1CCCC(F)(F)C1	838522412	GEHSHXJSDBUZCG-NXEZZACHSA-N	305.325	1.464	50	20	DDGD	
COCCOc1cccc(C=NNC(=O)c2c[nH]nc2C)c1	735411808	WQACONFYQDNJSL-UHFFFAOYSA-N	302.334	1.507	50	20	DDGD	
O=C(NN=C1CCC(O)(C(F)(F)F)CC1)[C@H]1CCCCO1	834988205	FOPOSHLJTQRDFJ-RWANSRKNSA-N	308.300	1.895	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@@H](C)CC(=O)NC)c1ccccc1	836630806	QTXOYJPIIUFOHG-AAEUAGOBSA-N	320.393	1.035	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=O)Nc2ccccc2)C1	908049572	IIHQTPXHPBOTDD-ZWNOBZJWSA-N	313.361	1.929	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCCCN(C)C)c1ccccc1	732440675	TYYDMRGUYOQNJW-AWEZNQCLSA-N	306.410	1.462	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2C[C@@H](C)O[C@@H]2C)cc1C	834932973	AAAXBUSLNMUHIB-VXGBXAGGSA-N	303.362	1.911	50	20	DDGD	
COCCN(c1ccccc1)[C@@H](C)C(=O)NNC(=O)CC(C)C	832066742	MJTQNQCXKMELTG-AWEZNQCLSA-N	321.421	1.721	50	20	DDGD	
C[C@H](N)C[C@H](C)NC(=O)NNC(=O)CCCc1ccccc1	831202538	IGJFWBSGKSWONJ-STQMWFEESA-N	306.410	1.466	50	20	DDGD	
CO[C@@H](C=NNC(=O)Cn1nc(C)cc1C)Cc1ccccc1	834929941	YSQHGYFEKONACG-MRXNPFEDSA-N	314.389	1.860	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H]2CCCc3nn[nH]c32)cc1Cl	832114581	IQVFFQXRNQWTNL-JTQLQIEISA-N	316.752	1.893	50	20	DDGD	
C[C@H](NS(=O)(=O)CCl)c1ccc(N2CCOC2=O)cc1	830206257	IWVIQZSAXJOYHH-VIFPVBQESA-N	318.782	1.820	50	20	DDGD	
CCCCC(COC)=NNC(=O)c1ccc(-n2cnnn2)cc1	737424066	ZNPGLNUJTWJWGX-UHFFFAOYSA-N	316.365	1.585	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNc2nc(C)cc(C)n2)c1	916160198	POPMQNZHDZEMCS-UHFFFAOYSA-N	300.318	1.637	50	20	DDGD	
O=C(NN=Cc1cccc2c1OCO2)c1ccc2c(c1)OCO2	915941621	SQDNOAATZPKSLS-UHFFFAOYSA-N	312.281	1.908	50	20	DDGD	
N#Cc1cccc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)c1	839400267	POMGIHIPXFMVEB-UHFFFAOYSA-N	317.312	1.298	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccon2)c1	747144989	KELOIISONFNICO-UHFFFAOYSA-N	317.345	1.946	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2cc(Cl)nc(C)n2)c1	748335939	RGTGXWUXCRKJOA-UHFFFAOYSA-N	319.752	1.555	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1ccc(OCC(=O)O)cc1	842558086	RBWYBPYSIGSAHE-ZWNOBZJWSA-N	306.318	1.025	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccnc(F)c1	745477216	VLRAYXUKPVCGNB-SECBINFHSA-N	321.283	1.588	50	20	DDGD	
C[C@H]1CC(=NNC(=O)CNC(=O)c2cccs2)CCN1C	741463152	ARWYDNUFYUVJDJ-JTQLQIEISA-N	308.407	1.064	50	20	DDGD	
CCCNCCNC(=O)NNC(=O)[C@H](CC)c1ccccc1	841965415	SGQYCSBRXZHGQD-CQSZACIVSA-N	306.410	1.510	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccccc1OC(F)(F)F)C(=O)O	848588776	YMVZBTFXVOIZAW-ZETCQYMHSA-N	321.255	1.932	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccc[nH]2)[nH]c2c1C(=O)CCC2	747663125	AAVVFIWLYOYQPR-UHFFFAOYSA-N	300.318	1.245	50	20	DDGD	
Cc1[nH]nc(C(=O)NNC(=O)CC(C)C)c1Br	917501238	KZAPQAMFBQQRMM-UHFFFAOYSA-N	303.160	1.288	50	20	DDGD	
N#C/C=C\Cn1nnc(C2(NC(=O)c3ccccc3)CCCC2)n1	840197745	YCWGBLQDBJGSBE-SREVYHEPSA-N	322.372	1.952	50	20	DDGD	
COC[C@@H](NC(=O)NNc1ccc(CC(=O)OC)cc1)C1CC1	845067843	AKHFJAPBCFBLBU-CQSZACIVSA-N	321.377	1.453	50	20	DDGD	
O=C(COC(=O)C=C1CCCC1)NNC(=O)c1cccs1	919595940	NQVSZMQACAQEEE-UHFFFAOYSA-N	308.359	1.553	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1ccc(/C=C/C(=O)OC)o1	848639436	ULOBPEKOIIKTBR-ZMLXFWSASA-N	304.302	1.135	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCCN1CCCC1=O	845483496	NAQBBWHVCIHWSI-UHFFFAOYSA-N	304.394	1.806	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(Cl)cc(F)c1N	843973876	ZUGVFDNZTZKITJ-POYBYMJQSA-N	315.732	1.247	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1cc(O)nc2ncccc12)N(C)C	913994130	VUECIRJXCMJNPT-ZDUSSCGKSA-N	303.366	1.365	50	20	DDGD	
O=C(NCC1CCOCC1)NNC(=O)c1cc2c(s1)CCC2	749187565	VCIHUNSHQFDXGH-UHFFFAOYSA-N	323.418	1.607	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc2ccsc2c1	843651745	FJZMSENRGRQNCK-PSASIEDQSA-N	305.359	1.482	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cnc(S)n1-c1ccccc1	910176189	ZUOCAVXEHXWPNY-SNVBAGLBSA-N	306.391	1.118	50	20	DDGD	
Cc1nc(CCCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cs1	843655507	VUTRYDOXVOTVNC-SKDRFNHKSA-N	311.407	1.347	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2nnc(-c3ccccc3)o2)CCN1C	741461625	MTNOIXLRMDDUEW-LLVKDONJSA-N	313.361	1.937	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2ccncc2)c(F)c1	747324803	PONAYANQZQYCMU-UHFFFAOYSA-N	303.293	1.233	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)N[C@H]1CCCNCC1	841979097	QAMNHSYMAHVGCA-HNNXBMFYSA-N	318.421	1.482	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H](C)Oc2cccnc2)n1	748339056	OCEDVTSRISJNFL-MRVPVSSYSA-N	307.741	1.744	50	20	DDGD	
NC1CCC(NC(=O)NNc2cc(F)c(F)c(F)c2)CC1	841943997	SVKWSSUSNVGIIH-UHFFFAOYSA-N	302.300	2.000	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)C(=O)NC2CC2)C12CCCCC2	741462218	LNKDHGCGCDHEBN-ZDUSSCGKSA-N	307.394	1.497	50	20	DDGD	
Cn1c(=NNC(=O)CCCCC(=O)O)sc2ccccc21	848448576	RBZHZLSIOADEPP-UHFFFAOYSA-N	307.375	1.817	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)c1cc(-c2ccccc2)[nH]n1	749755679	DQFNPLAXKVUVFB-SNVBAGLBSA-N	317.418	1.984	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)Cc2nc3ccccc3n2C)cn1	920985001	LANMFUUIORKCKA-UHFFFAOYSA-N	324.388	1.873	50	20	DDGD	
CCn1cc(C(=O)NNC(=S)Nc2cccc(C)c2C)nn1	929240812	WCLPAKCGZWTDKW-UHFFFAOYSA-N	318.406	1.546	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)C2CC(OC)C2)cc1	858128032	YVXRGUOFOKCUSY-UHFFFAOYSA-N	323.418	1.828	50	20	DDGD	
O=C(CNCC(F)(F)F)NNc1ccc(C(F)(F)F)nn1	755193092	ADEKVVUFZAAWCB-UHFFFAOYSA-N	317.193	1.090	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1ncc(Cl)cn1)C1CCCC1	857729271	PYGSSRVUGXWVJV-NSHDSACASA-N	311.773	1.268	50	20	DDGD	
Cc1ncc(NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cn1	756367400	LERZLPICYVEEPZ-UHFFFAOYSA-N	316.277	1.160	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)COc2ccccc2F)nn1C	757752794	GFLZUJBKJOVUPD-UHFFFAOYSA-N	321.312	1.099	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NCc1ncccn1	852053285	TUDLMGJKNAODDA-UHFFFAOYSA-N	313.361	1.330	50	20	DDGD	
CC[C@H](N[C@H](C)C(=O)NNC(=O)CC(C)C)c1c(C)noc1C	754542338	AMJXEARGBIHOCF-YPMHNXCESA-N	324.425	1.914	50	20	DDGD	
Cn1nncc1NNC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	857273735	VCZIUZDNVYPGNZ-HTQZYQBOSA-N	311.267	1.479	50	20	DDGD	
COc1nnccc1NC(=O)NC[C@@]1(C)C[C@@H]1Br	856870236	REYBANOWJPWTQK-GZMMTYOYSA-N	315.171	1.780	50	20	DDGD	
C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NNC(=O)NCCC	921039189	INURQBMFRAQFKB-LLVKDONJSA-N	316.361	1.242	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)Cc2occc2C)c1	854192032	ZTRVXBGFIDRUSL-UHFFFAOYSA-N	316.357	1.974	50	20	DDGD	
CN(C)C(=O)c1cccc(NC(=O)NNC(=O)c2ccc[nH]2)c1	920933447	ZTUSPMWIGZXFCE-UHFFFAOYSA-N	315.333	1.183	50	20	DDGD	
O=C(NC[C@@H]1COCO1)NNc1ccc(Cl)cc1Cl	923859613	OOFMFWMUKVYMCM-MRVPVSSYSA-N	306.149	1.992	50	20	DDGD	
CC1CC(C#N)(C(=O)NNC(=O)COc2ccc(C#N)cc2)C1	758150954	BTILSPCIKNSBTQ-UHFFFAOYSA-N	312.329	1.024	50	20	DDGD	
CC(=O)N[C@@H](CCC(C)C)C(=O)NNC(=O)OC(C)(C)C	854163833	IVFACXUVTJQXDC-NSHDSACASA-N	301.387	1.483	50	20	DDGD	
Cn1nncc1NNC(=O)[C@@H]1CC(C)(C)Oc2ccccc21	857270800	OZYKAYHGRHVTFD-LLVKDONJSA-N	301.350	1.603	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(CC(=O)NC)cc1	755656485	GQEHPKLQRDJUBV-SNVBAGLBSA-N	306.366	1.174	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)C(=O)NC[C@]1(C)C[C@@H]1Br	857385185	FISYJKDQMLYRLH-CDMKHQONSA-N	314.227	1.888	50	20	DDGD	
COCCCNC(=O)NN=Cc1c[nH]nc1-c1ccc(F)cc1	920829461	GCXKODIITZHQIH-UHFFFAOYSA-N	319.340	1.885	50	20	DDGD	
Cn1nc(C(=O)NN=C/C=C/c2ccco2)c2ccccc2c1=O	920365706	FIYWJGPBBTTXPY-XENLPDTRSA-N	322.324	1.956	50	20	DDGD	
Cc1noc(C)c1CCC(=O)NNC(=O)c1cccc(F)n1	856422611	ZTQDROXKTDRYNI-UHFFFAOYSA-N	306.297	1.219	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@H](NC(=O)NNC(=O)c2cccc(F)n2)C1(C)C	852241260	AMIMGULQTRZHQL-JFUSQASVSA-N	324.356	1.224	50	20	DDGD	
O=C(Cc1ccccc1O[C@@H]1CCOC1)NNc1ncccn1	857434729	MCFGFRPSDWZUDE-CYBMUJFWSA-N	314.345	1.330	50	20	DDGD	
CC1(C)OC[C@H](CNC(=O)NC[C@@]2(C)C[C@H]2Br)O1	856884354	YIQYJNXDQZJJTG-YGOYTEALSA-N	321.215	1.611	50	20	DDGD	
C[C@@]1(CNC(=O)c2nnc3ccccc3n2)C[C@H]1Br	857390269	CSRCXTLBISQIGQ-MFKMUULPSA-N	321.178	1.928	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@@H](C)[C@@H](C)N1CCOCC1	853687267	NOVGQJHVALDOBJ-QWHCGFSZSA-N	324.400	1.869	50	20	DDGD	
C[C@@]1(CNC(=O)NCCCNC2CC2)C[C@H]1Br	857104418	UDURCWAYIWFMAV-PWSUYJOCSA-N	304.232	1.601	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)c2cc(OC)cc(OC)c2)O1	756900264	WMGDGRUTTSQQFD-SMDDNHRTSA-N	322.361	1.422	50	20	DDGD	
CCCn1nc(C)c(C=NNC(=O)Cc2cc(C)[nH]n2)c1C	755627041	GYBYMWHMLSASFV-UHFFFAOYSA-N	302.382	1.634	50	20	DDGD	
CC[C@@H](C)CCNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	852492531	SPEITPYLXSRKBP-RISCZKNCSA-N	321.377	1.593	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H]2CCC[C@@H](N)C2)C[C@@H]1Br	857103061	AYNIPHKPZWCDLU-MWGHHZFTSA-N	304.232	1.729	50	20	DDGD	
CC(C)N1CCC[C@H]1C(=O)NNC(=O)c1cccc(C#N)c1	931935206	KWWSAMXRQIEJMW-AWEZNQCLSA-N	300.362	1.192	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)CCCCN1CCCC1)C1CC1	855103750	ZDNPEGYALJFJRN-GFCCVEGCSA-N	312.483	1.546	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2cccc(C(N)=O)c2)cc1	755505338	RXWWHFYTMVJIRZ-UHFFFAOYSA-N	310.357	1.656	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=Cc1cc(F)ccc1O	755540272	JFKAJISSCBTMJX-UHFFFAOYSA-N	313.288	1.932	50	20	DDGD	
COCC(C)(C)C=NNC(=O)c1nn(C)c(=O)c2ccccc12	754911846	MTMFWYWNISUGKP-UHFFFAOYSA-N	316.361	1.322	50	20	DDGD	
COCCc1nc(C)c(C(C)=NNC(=O)c2cn[nH]c2)s1	863154839	NRSLKEYVLKMNGV-UHFFFAOYSA-N	307.379	1.518	50	20	DDGD	
COc1nc(N(C)C)sc1C=NNC(=O)c1ccccc1	767012050	RCEYEBOZLQROLB-UHFFFAOYSA-N	304.375	1.982	50	20	DDGD	
COc1ccc2c(c1)OC[C@H]2CC(=O)NNc1ncccn1	760325242	FWDUHODTEZKHEJ-SNVBAGLBSA-N	300.318	1.495	50	20	DDGD	
CCc1nncn1CCNC(=O)[C@H](Br)C(C)(C)C	768171560	BCUGSVLVFAWISR-JTQLQIEISA-N	317.231	1.766	50	20	DDGD	
CC(C)N1CCC[C@H]1C(=O)NNC(=O)CCc1ccccc1	931349081	SRJMXHXLQCLJDS-HNNXBMFYSA-N	303.406	1.639	50	20	DDGD	
O=C1Nc2ccc(OC(F)(F)F)cc2C1=NNC(=O)C1CC1	863066613	ODYFCYGJLSPASM-UHFFFAOYSA-N	313.235	1.768	50	20	DDGD	
C[C@@H]1CCN(S(=O)(=O)CC(C)(C)CCl)C[C@H]1C(=O)O	864497996	YJHCCBAKWBERBK-NXEZZACHSA-N	311.831	1.624	50	20	DDGD	
CCC[C@H](C(=O)NNC(=O)CN(C)C)c1cccc(Cl)c1	863864572	LMWUEFXFWLRSSJ-ZDUSSCGKSA-N	311.813	1.933	50	20	DDGD	
COC(=O)c1cc(C)cc(C(=O)NN[C@H](C)C(F)(F)F)c1	862322062	DXDZHEZBJXETIE-MRVPVSSYSA-N	304.268	1.967	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2c(Cl)cccc2Cl)N1	863144844	BWVUVXYADJGDSD-SNVBAGLBSA-N	300.145	1.722	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CC[C@H](C3CC3)C2)c1	764485737	OARSFNDJMDFJMA-HNNXBMFYSA-N	301.390	1.488	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)NNc1ncc(F)cn1	760915109	USGITEGHLQLEAR-SNVBAGLBSA-N	309.345	1.096	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2csc(C(F)(F)F)c2)N1	863151631	PSTBUUYAFIGZDL-ZETCQYMHSA-N	305.281	1.496	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2cn(C)nc2-c2ccncc2)n[nH]1	764795459	RSNGGBIFAUSKPN-UHFFFAOYSA-N	309.333	1.278	50	20	DDGD	
Cc1cccc([C@@H]2C[C@H]2C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	862094942	SIHCDVKWRUYYOJ-PMOUVXMZSA-N	302.374	1.671	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2ccc(Cl)cc2Cl)N1	863145367	ACCYXFZTTHGRDL-SNVBAGLBSA-N	300.145	1.722	50	20	DDGD	
CCCCCC[C@](C)(CC)C(=O)NNC(=O)[C@@H]1CCC(=O)N1	862455602	HNTHUSDPKAEFGX-LRDDRELGSA-N	311.426	1.799	50	20	DDGD	
O=C1NCC[C@@]1(C(=O)NNc1ncccc1F)C1CCCC1	861662404	VJQAQVLISMADAL-OAHLLOKOSA-N	306.341	1.360	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2cn3ccccc3n2)ns1	766765617	NZSAXFXXIRZFPK-UHFFFAOYSA-N	315.358	1.103	50	20	DDGD	
COc1c(C)cc(C(C)=NNC(=O)[C@@H]2CCC(=O)N2)cc1Cl	863150458	UWVASSOSQIJAJZ-LBPRGKRZSA-N	323.780	1.776	50	20	DDGD	
CCO[C@@H](CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	760211639	OAEDZYFOVXSBKB-ZDUSSCGKSA-N	323.349	1.807	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2c3c[nH]nc3CC[C@@H]2C)nc(C)n1	878897421	KZJBBOMGFMFPIY-RTHLEPHNSA-N	300.366	1.626	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@@H](c2ccco2)N(C)C)cc[nH]1	874996310	ZLRMJWANMXENOU-ZDUSSCGKSA-N	303.366	1.334	50	20	DDGD	
C=CCN(C)CC(=O)NNC(=O)c1cc(Cl)ccc1OC	778167659	NEFQQVNKFHWZQH-UHFFFAOYSA-N	311.769	1.227	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1	875142077	ZEVWGMJZMLMEBZ-GXTWGEPZSA-N	320.393	1.734	50	20	DDGD	
O=C(N[C@@H]1CCCS(=O)(=O)C1)c1cccc(CCl)c1	69142793	RTPDJRPQTWZQRU-GFCCVEGCSA-N	301.795	1.732	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1cccc(-n2cccn2)c1	775511872	DSXRNPRUWKIPIQ-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](CO)C2CC2)cc1	771044513	HLZKJOPEYOJVKI-SCZPIIQISA-N	300.358	1.879	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Nc2ncc(OC)s2)cc1	1117393222	RIXIWEYGRXXBLA-UHFFFAOYSA-N	322.346	1.627	50	20	DDGD	
COC[C@H](C)n1ccc(NC(=O)NNc2nccnc2OC)n1	779934969	JTCVUSQHNZKASG-VIFPVBQESA-N	321.341	1.038	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1CCc2cc(OC)ccc2C1	875483030	QFJXDJDGTGCHFR-LBPRGKRZSA-N	307.350	1.465	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)C(C)(F)F)cc1	874952925	MASIYYSRGQZBKU-UHFFFAOYSA-N	302.350	1.725	50	20	DDGD	
CCOC(=O)c1cnc(C)c(NC(=O)NNc2ncccn2)c1	775696517	BYVVFJRTPVYTRD-UHFFFAOYSA-N	316.321	1.505	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc3nnc(S)n3c2)n1	773753077	UDJIYOAMLGTGIL-UHFFFAOYSA-N	315.362	1.182	50	20	DDGD	
Cc1ccn(CC(=O)NNc2ccc(F)c(F)c2F)c(=O)c1	772428379	ZFKKYWSIIQCHFW-UHFFFAOYSA-N	311.263	1.717	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CC[C@H](C)SC	773291829	GHGFTBYWVYVVTQ-NSHDSACASA-N	310.419	1.917	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](C)[C@H]1CCCOC1	779967472	JBPSAMRJEJHKIG-OLZOCXBDSA-N	305.378	1.754	50	20	DDGD	
Cc1cccc(C2(C(=O)NNC(=O)C3CCOCC3)CCC2)c1	883064771	NTRJELCZBJJVJD-UHFFFAOYSA-N	316.401	1.991	50	20	DDGD	
CC1=NO[C@@](C)(C(=O)NNc2ccc(S(C)(=O)=O)cc2)C1	1120710474	NCGJCYKNKHPJAN-CYBMUJFWSA-N	311.363	1.088	50	20	DDGD	
Cc1noc(C)c1C[C@H](C)NC(=O)NNc1ncncc1Cl	780991627	PNBQLUKIEXSARN-ZETCQYMHSA-N	324.772	1.992	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1cccc(CO)c1	785691265	RDESGBUOCBRJSH-UHFFFAOYSA-N	318.304	1.158	50	20	DDGD	
COc1ccc(C=NNC(=O)COc2ccc(C#N)cc2)cn1	780196422	UPJXSXNRHCGPLB-UHFFFAOYSA-N	310.313	1.491	50	20	DDGD	
CNC(=O)OC[C@H]1CCCCN1S(=O)(=O)CCCCl	882198624	ZJBNFIDSMJZUHJ-SNVBAGLBSA-N	312.819	1.156	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)Cc2ccccc2OC)no1	888384749	ZZUDKFPFRVUWFN-UHFFFAOYSA-N	303.318	1.249	50	20	DDGD	
O=S(=O)(CCCCl)N1CC2(CCC2)[C@H]1[C@H]1CCCO1	882210232	WGYCYCJAMAGTSV-VXGBXAGGSA-N	307.843	1.979	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CC(C(N)=O)C2)c1C	1123947393	RUENVUPFIUCMQW-AUWJEWJLSA-N	314.389	1.366	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)C(=O)Nc1ccon1	784311170	QUVKBHGEVUMHQI-UHFFFAOYSA-N	312.232	1.358	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C(=O)Nc1ccc(Cl)nc1	784848652	JXOBULUQOUNJJF-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
O=C1CCc2cc(F)c(NC(=O)NN=c3cc[nH]cc3)cc2N1	782014232	SDFSHCWTAOIBAY-UHFFFAOYSA-N	315.308	1.676	50	20	DDGD	
CCOc1cc(/C=C\C(=O)NNc2ncc(F)cn2)ccc1O	780999030	NQEAXPNZKJOOCM-XQRVVYSFSA-N	318.308	1.877	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)N[C@@H]2CC[C@@H](C)C2)c1	780789243	MRODHGZVQXPWQX-ZYHUDNBSSA-N	321.377	1.836	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)O[C@H](C)c2nnnn2C)c1	787599699	HZMUFTNJWLJZCT-CEXMDJMXSA-N	313.317	1.430	50	20	DDGD	
COc1cccc(NNC(=O)c2cc3c(cc2O)OCO3)n1	780769912	ZSZMPRQAKYKYMK-UHFFFAOYSA-N	303.274	1.281	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cc2c(nc1O)CCCC2	781812857	GZHFDKGXPZQMAE-UHFFFAOYSA-N	319.752	1.866	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(-c2cnn(C)c2)ccc1F	782851010	HGHGLNIYSNNXDB-UHFFFAOYSA-N	319.340	1.532	50	20	DDGD	
C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NNC(=S)NC(C)(C)C	899995951	CHYDXRHYIQBYOG-BDJLRTHQSA-N	323.462	1.835	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NC[C@@H]1CCC=CO1	780745217	SQORTTVCGQOMDI-ZDUSSCGKSA-N	307.325	1.391	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccnc(C2CC2)c1)C1CC1	783058496	YVSZNSUSKVKXHS-SECBINFHSA-N	304.419	1.866	50	20	DDGD	
CCc1cc(CNC(=O)NNc2cccc(C(=O)OC)c2)n[nH]1	780835838	MPACRRMDTPTBRB-UHFFFAOYSA-N	317.349	1.585	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CO[C@@H](C)C2)cc1C	784143807	HPTZBTRNULVYFU-STQMWFEESA-N	306.362	1.255	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H](c1cccnc1)C(C)C	797864116	GORWBCMKYFEKEF-ZDUSSCGKSA-N	301.350	1.314	50	20	DDGD	
CO[C@H]1CCC[C@@H](CC(=O)NNC(=O)Cc2cccnc2)C1	793428341	YGQNGOPCSIQTFP-OCCSQVGLSA-N	305.378	1.367	50	20	DDGD	
O=C(CCn1ccccc1=O)NNc1cccc(F)c1[N+](=O)[O-]	791066796	KZNJBPQHBWNQLF-UHFFFAOYSA-N	320.280	1.429	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2cccc(C(F)F)c2)n[nH]1	790557728	MJUUZUFXUJVBDQ-UHFFFAOYSA-N	308.288	1.659	50	20	DDGD	
COc1ccc(OCC(=O)NN=C(C)c2cc(C)on2)cc1	790287399	GEXTXVXIVRSQFJ-UHFFFAOYSA-N	303.318	1.911	50	20	DDGD	
Cn1ccc(CCC(=O)NNC(=O)c2cccc3cccnc23)n1	794261797	QFCMBWXCJFFHGG-UHFFFAOYSA-N	323.356	1.362	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@H](C(C)C)[C@H](O)c1ccccc1	794605372	OPWVAJLOEMZZGK-APHBMKBZSA-N	321.421	1.280	50	20	DDGD	
CSc1nsc(NC(=O)NNC(=O)c2cccc(C)n2)n1	797633504	MXYLIBWLSSYADK-UHFFFAOYSA-N	324.391	1.430	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NNC(=O)CC(F)(F)F	798117968	QUHLJYKIJYGWMF-WPRPVWTQSA-N	309.288	1.250	50	20	DDGD	
C[S@@](=O)c1ccc(CC(=O)NNC(=O)c2ccccc2)cc1	797787544	VABPWPFAYICKMZ-JOCHJYFZSA-N	316.382	1.428	50	20	DDGD	
CCOC(CCNC(=O)NNC(=O)c1cccc(C)n1)OCC	793075192	WVQRLPMWRQEHCN-UHFFFAOYSA-N	324.381	1.123	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1c[nH]nc1-c1ccccc1	798306351	YKILPIZDDARVCN-UHFFFAOYSA-N	301.375	1.372	50	20	DDGD	
Cc1cc(OCC(=O)NNc2ccc(C(C)(C)C)nn2)no1	1318585018	DEIWEKSXSVCKAB-UHFFFAOYSA-N	305.338	1.593	50	20	DDGD	
CCCN1CCCC[C@H]1C(=O)NNC(=O)c1ccc(OC)cc1	1318045397	YVLODLHKWDLTLJ-HNNXBMFYSA-N	319.405	1.721	50	20	DDGD	
Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNc1nncc(N)c1Cl	1319328555	NJFPHHBESAGLNO-ZCFIWIBFSA-N	323.788	1.309	50	20	DDGD	
C[C@@H]1COCCN1CCNC(=O)NNc1ccccc1Cl	1326743539	AVJOHVMOPLQLMK-LLVKDONJSA-N	312.801	1.687	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2ccc(Cl)cc2)n1	1322868720	KDWCQIDNWUGKLU-UHFFFAOYSA-N	304.737	1.852	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2Cl)CCN1	1325326271	PPGHBZHTOHTKLQ-ZJUUUORDSA-N	310.785	1.425	50	20	DDGD	
CCn1ccc(C(=O)NNC(=O)c2cc3c(s2)CCC3)n1	1327186389	CXQUFSKYPKZUMR-UHFFFAOYSA-N	304.375	1.528	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H](C)OC2CCCCC2)n1	1321060562	GKQTUHVWPLUSJJ-LBPRGKRZSA-N	305.378	1.889	50	20	DDGD	
Cc1cc(COCC(=O)NC[C@]2(C)C[C@@H]2Br)no1	1337300601	SCOCZCOPFFNXHW-JQWIXIFHSA-N	317.183	1.789	50	20	DDGD	
Cc1ccnc(O)c1C(=O)NNc1cccc(S(C)(=O)=O)c1	1337431182	UENBCCMYZZFIGX-UHFFFAOYSA-N	321.358	1.256	50	20	DDGD	
CC(=NNC(=O)C1CCOCC1)c1ccc(C(=O)N(C)C)cc1	1330896088	QEXUSEMREOSPJS-UHFFFAOYSA-N	317.389	1.655	50	20	DDGD	
CNC[C@H](C)CNC(=O)NNC(=O)Cc1ccc(Cl)cc1	1261376624	UQDXBXVHSCTFNH-JTQLQIEISA-N	312.801	1.068	50	20	DDGD	
Cc1cc(=NNC(=O)NC2CCN(CC(F)F)CC2)cc[nH]1	1261948542	DYIWMXUSGQKFDB-UHFFFAOYSA-N	313.352	1.168	50	20	DDGD	
O=C(/C=C/C1CCCC1)NNC(=O)c1n[nH]c2c1CCCC2	1346070354	JHBWDFIZXHLNFX-MDZDMXLPSA-N	302.378	1.796	50	20	DDGD	
CC[C@H](C)N(CC)C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1261770230	PZLFSNQZHVACQP-OPQQBVKSSA-N	319.243	1.923	50	20	DDGD	
COC[C@@]1(C(=O)O)CN(C(=O)C2CCC(Cl)CC2)CCO1	1604550445	IHGCHPHTTFIYGA-QIMFLAQGSA-N	319.785	1.113	50	20	DDGD	
O=C(Cc1ccccc1O)NN=C1C[C@H]2C[C@@H](C(=O)O)[C@H]1C2	1601370168	RIDGTOPZRZGUAS-YUSALJHKSA-N	302.330	1.538	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)CC[C@@H]1C[C@H](C(=O)O)CO1	1607854932	GAHCGDFKNBOLAX-WDEREUQCSA-N	310.325	1.847	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CC[C@@]3(C(=O)O)CCC[C@@H]23)cn1	1600944504	AMROYXDNYNGGRM-RYIQMVLOSA-N	314.345	1.183	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cncc(F)c2Cl)nc1	1602384262	HXVONZORLASNDD-UHFFFAOYSA-N	310.672	1.724	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2cc(C(=O)O)no2)ccc1F	1606559137	HLJXOFARFNASLA-UHFFFAOYSA-N	323.236	1.055	50	20	DDGD	
CCC(=O)N1CC[C@H](NC(=O)NNc2cccc(C(=O)O)c2)C1	1604860552	TXKGWNOXZVQXNN-LBPRGKRZSA-N	320.349	1.022	50	20	DDGD	
Cc1cccc(CCNC(=O)NNc2cccc(C(=O)O)c2)n1	1600530512	PIJAEVGSPRPUNB-UHFFFAOYSA-N	314.345	1.957	50	20	DDGD	
O=C(O)CCCCNC(=O)NNc1ccc([N+](=O)[O-])cc1F	1606165816	MEDABYAAEPASTD-UHFFFAOYSA-N	314.273	1.615	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCc2ccco2)oc1C(=O)O	1607580124	JWSGWQVCUUBJPE-UHFFFAOYSA-N	307.262	1.023	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2CCc3n[nH]cc3C2)c(F)c1	1608904359	RFRIGWXCBYACBJ-QMMMGPOBSA-N	318.308	1.495	50	20	DDGD	
Cn1cc(C(C)(C)C(=O)NNc2ccc(C(=O)O)c(F)c2)cn1	1610600691	IADBAJMJSYCZPV-UHFFFAOYSA-N	320.324	1.678	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CSC2CNC2)cc1C	1578337518	FITNFZPSJOIAHI-UHFFFAOYSA-N	313.448	1.085	50	20	DDGD	
Cc1ccc(NNC(=O)CNC(=O)[C@@H](N)C(C)C)c(Cl)c1	1579724335	UPPIEQWRQYRIOH-ZDUSSCGKSA-N	312.801	1.191	50	20	DDGD	
CC(C)N(C)CC(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1589676586	FBSFVOHQMLOUBV-UHFFFAOYSA-N	323.788	1.303	50	20	DDGD	
CCN(C)[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843365947	SXTQKBFTXGMBSI-MNOVXSKESA-N	319.808	1.064	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=Cc2cc(C(=O)O)no2)c1	1599450170	DVRQGUUXMUMEJG-UHFFFAOYSA-N	319.273	1.154	50	20	DDGD	
O=C(c1cnco1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843362122	DAYFLHREMAQPOP-SECBINFHSA-N	301.705	1.026	50	20	DDGD	
CCC[C@@H]1C[C@@H](C(=O)NNc2ccc(C(=O)O)cn2)CCO1	1595620160	YDJMOYIKNNRCQY-CMPLNLGQSA-N	307.350	1.818	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)CC(=O)O)cc1	1592426543	VUQOHDSITAHWSU-NASPGAHYSA-N	302.330	1.972	50	20	DDGD	
Cc1oc(-c2nn[nH]n2)cc1C(=O)NNc1cc(Cl)ccn1	1592500075	KHOBTPFZDUNSEH-UHFFFAOYSA-N	319.712	1.573	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2ccc(C(=O)O)o2)ccc1C	1598948900	ILJPVPONRLGIOE-UHFFFAOYSA-N	318.285	1.830	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNc2cnccn2)CCOCC1	274735518	JTWIODZHUQJLNZ-UHFFFAOYSA-N	312.373	1.977	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)C(=O)N1CCCC1)C1CCCC1	151996702	XPLDETWFKXEJMS-UHFFFAOYSA-N	324.425	1.156	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)c1)C(=O)Nc1ccccn1	152111888	HDDOXODWYQLDSR-UHFFFAOYSA-N	318.720	1.135	50	20	DDGD	
CCc1ccc(-c2cc(C(=O)NNC(=O)COC)[nH]n2)cc1	152339523	QEJIAPDPIQWKHN-UHFFFAOYSA-N	302.334	1.047	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCOc2c(C)cccc2C)[nH]n1	153277979	NJRPALTXBJQKLN-UHFFFAOYSA-N	316.361	1.565	50	20	DDGD	
COc1ccc(NNC(=O)NCCN(C)C2CCCC2)nc1	157196134	LRUFKBJYULYWBE-UHFFFAOYSA-N	307.398	1.591	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc(Cl)cc1F	154203380	FTPXIVSGSOJQSO-UHFFFAOYSA-N	321.830	1.951	50	20	DDGD	
Cc1[nH]c2ccc(C(=O)NNc3ccc(C(N)=O)nn3)cc2c1C	154335193	HLOZGMZPDUYDDD-UHFFFAOYSA-N	324.344	1.431	50	20	DDGD	
C#CCSCCNC(=O)NNC(=O)Cc1ccc(F)cc1	154844200	GWSPBWYTTVOERC-UHFFFAOYSA-N	309.366	1.065	50	20	DDGD	
COCC1(O)CCN(C[C@@H](CBr)C2CC2)CC1	859209326	CXBJUWRNKYMXKP-GFCCVEGCSA-N	306.244	1.881	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccc2ncccc2c1	175795022	BQFBZDDWHZYFEQ-UHFFFAOYSA-N	306.325	1.634	50	20	DDGD	
CCCN(CCC)CCCC(=O)NNC(=O)c1cccn1C	107342504	HSTHYHRDTPJOEM-UHFFFAOYSA-N	308.426	1.688	50	20	DDGD	
C[C@@H]1SCCN(C(=O)NNC(=O)Cc2cccnc2)[C@H]1C	118480418	IQOZSEBAUPQUKT-QWRGUYRKSA-N	308.407	1.191	50	20	DDGD	
O=C(NCc1cccc(OCC(F)F)c1)NNc1ncccn1	102573801	KKGRCIUULZYCDQ-UHFFFAOYSA-N	323.303	1.947	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)c1ccc[nH]c1=O	53606193	UFMQIYSQGYNCRM-UHFFFAOYSA-N	321.336	1.532	50	20	DDGD	
O=C(NNc1ncccn1)[C@@H]1CC(c2cccc(F)c2)=NO1	56654571	YRFXZTZMSHMHMJ-LBPRGKRZSA-N	301.281	1.252	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccc[nH]1)c1nc(C(C)(C)C)no1	173530981	FFFVUTDKEOMGQR-QMMMGPOBSA-N	320.353	1.400	50	20	DDGD	
CCCCN(CC)c1ccc(C(=O)NNC(=O)CN(C)C)cc1	113426035	KKSKEBPRCOVKTK-UHFFFAOYSA-N	320.437	1.636	50	20	DDGD	
CC(=O)NCC1CCN(CCI)CC1	759344802	WLSAGMPCRXJAQW-UHFFFAOYSA-N	310.179	1.270	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1cc(F)c(F)c(F)c1)C(C)C	175466938	YRVFTZWKELLVIO-NSHDSACASA-N	319.283	1.928	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)N[C@@H]1C=C[C@H](CO)C1	176413471	BRJGNBMZBCVPPR-CMPLNLGQSA-N	315.329	1.314	50	20	DDGD	
COCCOc1ccccc1C(=O)NNC(=O)NCC1CC1	65191648	SFSZUCPAEOTQFP-UHFFFAOYSA-N	307.350	1.066	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CCOCC(F)(F)F)cc1	61464046	MWAPIBLERXJRGJ-UHFFFAOYSA-N	315.251	1.288	50	20	DDGD	
C[C@H](CBr)CN1CC[C@@H](CN2CCOCC2)C1	248736599	QXNFSZBCUSXQKL-OLZOCXBDSA-N	305.260	1.672	50	20	DDGD	
C[C@H](OC1CCCCC1)C(=O)NNc1cc(Cl)nc(N)n1	1342320509	PJFDJNJMQIFPOW-QMMMGPOBSA-N	313.789	1.893	50	20	DDGD	
CCNC(=O)NNC(=O)CCc1c(C)nc(SC)nc1C	65190780	LZTRWTHEBBDOKV-UHFFFAOYSA-N	311.411	1.098	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NC2CC2)cc1Cl	64429148	YGTJPUKGMZEDLB-UHFFFAOYSA-N	311.769	1.774	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1ccc2scnc2c1	181408084	KRDZTLBMOCNORJ-UHFFFAOYSA-N	313.342	1.773	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)N(C)C)cc1Br	187429590	OWACKIZCZMCXNH-UHFFFAOYSA-N	314.183	1.602	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1cccc(OCCF)c1	186622319	SFCMTXIGXYJWRF-UHFFFAOYSA-N	318.308	1.896	50	20	DDGD	
COc1ccc(C(=O)NNc2ccnc(F)c2)cc1[N+](=O)[O-]	182438959	IRBSAOWJEVLFRI-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1ccc2ccccc2n1	181111438	QRLNBDOLWXTDEZ-UHFFFAOYSA-N	302.334	1.814	50	20	DDGD	
CCCCc1ccc(C(=O)CCC(=O)NNC(=O)CO)cc1	182764164	IQUCXLUXECSMMT-UHFFFAOYSA-N	306.362	1.132	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CCc2ccccc2O)ccn1	183436747	AOPYFARSVOKKJJ-UHFFFAOYSA-N	314.345	1.881	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccco2)cc1C	78308340	AHGFBMGJLSICOH-UHFFFAOYSA-N	301.302	1.296	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)[C@@H]2CC2(Cl)Cl)c1	182153159	CTAPMXVLLWMDFH-VIFPVBQESA-N	323.201	1.727	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CC[C@H](C)[C@@H]1C	137852097	FDVIACWCFQFPDM-JSGCOSHPSA-N	303.406	1.415	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCCCC2)c1cc[nH]n1	44982151	WJVLZGVRKGQVBT-UHFFFAOYSA-N	304.375	1.815	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2ncc(Cl)cc2Cl)CN1	133010083	UWWFXUWVDBMYRO-LURJTMIESA-N	303.149	1.358	50	20	DDGD	
Cc1oc(-c2ccccc2)nc1CC(=O)NNC(=O)C(C)(C)O	190062268	JSWZDEIYZYDHCG-UHFFFAOYSA-N	317.345	1.111	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCc1nc2ccccc2[nH]1	193962088	JJZPOZGUAQYFPM-UHFFFAOYSA-N	303.366	1.482	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccc3c(c2)OCCO3)o1	84291257	SGQOPRQNUUVUKO-UHFFFAOYSA-N	316.313	1.363	50	20	DDGD	
C=CCSCCNC(=O)NNC(=O)CCc1ccccc1	195467303	GVBXROOVXVEZTB-UHFFFAOYSA-N	307.419	1.869	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)C1CCC(c2ccccc2)CC1	190072579	TUZKYFQYWTYLDR-UHFFFAOYSA-N	304.390	1.879	50	20	DDGD	
O=C(CCc1ccc(F)cc1F)NNC(=O)c1cccnc1	131324030	QZEIVSAAYLXIQY-UHFFFAOYSA-N	305.284	1.754	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCc2cccnc21)c1ccccc1O	192857360	OHCBJQGBNZGMPU-CYBMUJFWSA-N	311.341	1.668	50	20	DDGD	
O=C(NCc1ccc(Cn2cccn2)cc1)NNc1ncccn1	45262409	ZLJBKURRTSVJOG-UHFFFAOYSA-N	323.360	1.548	50	20	DDGD	
COCc1ccccc1C(=O)NNC(=O)c1ccc(Cl)nc1	80122145	XTENJUVXNHFNMA-UHFFFAOYSA-N	319.748	1.956	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccc[nH]1)c1cccc([N+](=O)[O-])c1	194555520	JDRIPFUKAQPHMN-VIFPVBQESA-N	317.305	1.628	50	20	DDGD	
COc1ccc(NNC(=O)C2CCC(O)CC2)c([N+](=O)[O-])c1	194472374	CAOYNDSYPYQIJQ-UHFFFAOYSA-N	309.322	1.598	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccccc1NC(=O)C(C)(C)C	265079544	XGNINDNJZZDQCW-UHFFFAOYSA-N	306.366	1.587	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)C1CCSCC1	264842773	KIQRVUHDFYNNBQ-CYBMUJFWSA-N	322.386	1.117	50	20	DDGD	
C[C@@H]1CC/C(=C\C(=O)NNc2nccc(N3CCOCC3)n2)C1	268659000	XAOLSUFLHKVDIE-RVROTUBLSA-N	317.393	1.503	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)[C@H]2CCCS2)cc1	266551903	SDRHTGAQJFCLMA-GFCCVEGCSA-N	324.475	1.966	50	20	DDGD	
CSCCCCC(=O)NNC(=O)COc1ccc(F)cc1	265732550	SHYFEZZMLCKJHT-UHFFFAOYSA-N	314.382	1.885	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)CC[C@H]2CCCO2)c1	264052692	YUPRPDPEDNJNIW-CYBMUJFWSA-N	321.377	1.214	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(C)c(N2CCOC2=O)c1	266949347	VOYAYEVBGQMYRT-UHFFFAOYSA-N	308.294	1.344	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cc([C@H]2CCCO2)nn1C	279023639	PPNUIUBQHDQWFO-MWLCHTKSSA-N	309.370	1.470	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H](C)n2nnnc2C(C)(C)C)n1	272192888	GBFABWNQHJALMS-SNVBAGLBSA-N	318.385	1.082	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cccnc1OC(C)C	274084475	MAYFHGUUSJGFBW-UHFFFAOYSA-N	318.337	1.816	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2c(C)c(C)nn2C)cc1	275755167	SFAPHKOXEYLZCQ-UHFFFAOYSA-N	301.350	1.427	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2ccc(Cl)cc2O)CCCO1	270435526	NCGIWZNQCCKSNR-UHFFFAOYSA-N	310.737	1.891	50	20	DDGD	
O=S(=O)(CBr)NCCc1cn2ccccc2n1	271385460	KVEWYHFLOXFJJF-UHFFFAOYSA-N	318.196	1.149	50	20	DDGD	
COc1ccc2c(c1)[C@@H](NC(=O)NNc1cccnn1)CCO2	274436893	IWOOGRACCGUXHH-LBPRGKRZSA-N	315.333	1.635	50	20	DDGD	
COC(=O)NNC(=O)CN(C(=O)OC(C)(C)C)c1ccccc1	274176048	BZJWCEVFNTUWCV-UHFFFAOYSA-N	323.349	1.815	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccc(C(N)=O)c(F)c1	272641068	YPXVUBYPQMHLKT-UHFFFAOYSA-N	312.301	1.486	50	20	DDGD	
Cc1ccc2nc(CNS(=O)(=O)CBr)cn2c1	272823622	PRUXLNBNKWDWFW-UHFFFAOYSA-N	318.196	1.415	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@H]1COCCN1C1CCCC1	375647937	GYLUVXXYHSIWJL-CYBMUJFWSA-N	308.357	1.307	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CCC2	274166263	MWUNPQZXDMDXJG-UHFFFAOYSA-N	303.362	1.307	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(F)n1)C(=O)N1CCCC[C@H]1C	287776891	KFLVSWSGLJCTEC-MNOVXSKESA-N	323.372	1.636	50	20	DDGD	
Cc1oc(C(C)C)nc1C(=O)NNc1cc(Cl)nc(N)n1	286083500	NKCZYTQSSYNNSR-UHFFFAOYSA-N	310.745	1.889	50	20	DDGD	
CCOC1CC(C(=O)NNc2nnc(-c3ccccn3)s2)C1	287740239	HNSNFMHDTHSKCB-UHFFFAOYSA-N	319.390	1.858	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCCN2C2CC2)c1	280369869	VZTOVGKHEHMDBX-CQSZACIVSA-N	303.362	1.543	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C[C@H]2CCC[C@@H]2C)cc1	282778545	LFNKSLDHHOMOKZ-QWHCGFSZSA-N	317.389	1.907	50	20	DDGD	
C#Cc1ccc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)cn1	803432933	IDJYHFXDRNWXMJ-UHFFFAOYSA-N	304.309	1.661	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)ccc1Cl	295636361	SXJLAIJGQIPVRG-NSHDSACASA-N	312.753	1.679	50	20	DDGD	
Cc1cc(C)cc(C[C@@H](C)NC(=O)NNC(=O)[C@@H]2CCCO2)c1	293230296	FYAAILSOTBKUBO-HIFRSBDPSA-N	319.405	1.744	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)Cc1ccccc1N(C)C	808785807	VILMYULWDFXYAO-LBPRGKRZSA-N	306.410	1.130	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cc(=O)c2ccc(F)cc2o1	294085770	IDLQDLJPVSRZTC-UHFFFAOYSA-N	304.277	1.493	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1c[nH]c(C(F)(F)F)c1	293704801	UDDMFKGOFVXQRA-UHFFFAOYSA-N	318.177	1.540	50	20	DDGD	
Cc1cc(=O)cc(C)n1CCCC(=O)NNc1ccnc(F)c1	290687320	KOABOQAALOEGGH-UHFFFAOYSA-N	318.352	1.923	50	20	DDGD	
CSSCCNC(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21	807229120	OGWXNERSFHOQAE-ZJUUUORDSA-N	303.453	1.450	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cncc(C)c2)cc1	802056462	PACHZYHPTHKIJJ-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
CC[C@@H](CO)C(=O)NNC(=O)Nc1cc(OC)ccc1Cl	802117058	WPAIEUVUDOKUPO-QMMMGPOBSA-N	315.757	1.520	50	20	DDGD	
CSSCCNC(=O)CN(C)C(=O)[C@@H](C)n1cccn1	803472283	YFCQHMSWFYBMNI-SNVBAGLBSA-N	316.452	1.030	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@@H](NCC(=O)NNC(=O)c2ccccc2)C1(C)C	296305025	ZZMHGTFTOXVXAC-NILFDRSVSA-N	319.405	1.097	50	20	DDGD	
CCc1ccc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1	298103496	SQILTGJZYYLDQO-CQSZACIVSA-N	310.419	1.355	50	20	DDGD	
CC[C@@H](Cc1ccccc1)C(=O)NNC(=O)N1CCN(C)CC1	807380922	VTNMESDTLVUVPO-HNNXBMFYSA-N	318.421	1.244	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1ccc(C(F)F)cc1	802036278	TUMSXKJPWQPTMR-UHFFFAOYSA-N	306.272	1.908	50	20	DDGD	
C[C@@H]1COCC[C@@H]1CNC(=O)NNC(=O)c1cccc(C#N)c1	805067499	UURZAJJREMHNGH-BXUZGUMPSA-N	316.361	1.175	50	20	DDGD	
CN(C)C(=O)c1ccnc(NC(=O)NNc2cccc(F)n2)c1	806408227	UQWULVQGBKREDY-UHFFFAOYSA-N	318.312	1.466	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1c(Cl)cncc1Cl	294171284	WFBUNWSEPSQNFE-QMMMGPOBSA-N	304.133	1.328	50	20	DDGD	
CC[C@@H]1[C@@H](C)CCN1CC(=O)NNC(=O)Cc1ccccc1C	299401505	SFVWLOIBAWWJBP-GOEBONIOSA-N	317.433	1.805	50	20	DDGD	
Cc1ccccc1NNC(=O)c1c(Br)nnn1C	810019619	MBRIISYZVLIRAM-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NC[C@H]1CCCNC1=O	819451330	CRZFKXGLFULLMR-BDAKNGLRSA-N	305.216	1.438	50	20	DDGD	
CC(=NNC(=O)N=c1cc[nH]cc1)c1cn(-c2ccccc2)nn1	815002654	LHMDLKUORWYGHK-UHFFFAOYSA-N	321.344	1.630	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)COc2ccc(F)cc2)cn1	814749126	WVHNOINQZJRVOW-UHFFFAOYSA-N	317.324	1.211	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCCCC(=O)C2)cc1	813430201	NEWKYSCNVJVHRK-CQSZACIVSA-N	313.357	1.859	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2(c3ccccc3)CC(=O)C2)o1	810489141	FTHKLKZJHROIEI-UHFFFAOYSA-N	312.325	1.650	50	20	DDGD	
O=C(NN=C1CCN(CCO)CC1)c1cc(Cl)ccc1O	819803274	LTLSIGYETOTPLU-UHFFFAOYSA-N	311.769	1.220	50	20	DDGD	
O=C(NNc1ncncc1F)c1cc(F)c(F)c(O)c1F	817071479	UQPGCLLOBJYZSD-UHFFFAOYSA-N	302.187	1.496	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1cnc(N(C)C)nc1	814812785	MVKGRSLJIUYBJP-UHFFFAOYSA-N	313.361	1.244	50	20	DDGD	
C=C(C)CNC(=S)NNC(=O)Nc1ccc2c(c1)OCO2	813454184	VTPHLVZEUQIYPF-UHFFFAOYSA-N	308.363	1.492	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNc1nc(-c2cccnc2)no1	812497412	YBVWGUHSOLUHMT-NXEZZACHSA-N	305.338	1.493	50	20	DDGD	
CN(NC(=O)[C@@H]1CCCC[C@H]1C(=O)NN(C)C1CC1)C1CC1	819650362	IZYCUYVUPNGFJE-ZIAGYGMSSA-N	308.426	1.044	50	20	DDGD	
COc1ccc(CCC(=O)NN=C(C)c2cc(CO)on2)cc1	812226477	FFFMBDNOLYWQJX-UHFFFAOYSA-N	317.345	1.649	50	20	DDGD	
CCCNC(=O)NNC(=O)CCc1ccc2ccccc2n1	813425787	MWWYKCVMVFLYQK-UHFFFAOYSA-N	300.362	1.908	50	20	DDGD	
COC(=O)CNC(=O)NN=C1COc2c(C)cc(Cl)cc21	814900595	ABXRUISOIAFAGC-UHFFFAOYSA-N	311.725	1.217	50	20	DDGD	
COc1ccccc1C(=O)NN=Cc1cnc(N(C)C)n1C	811642283	LIPCIBVBKBQGOM-UHFFFAOYSA-N	301.350	1.259	50	20	DDGD	
CN(C)C1CCC(NC(=O)NNc2ncncc2Cl)CC1	817178030	OWTCMPXSUQZOHI-UHFFFAOYSA-N	312.805	1.629	50	20	DDGD	
C[C@H](C(=O)NNc1ncncc1F)N1CCc2ccccc21	817080499	QYYQAKADDFMIHO-SNVBAGLBSA-N	301.325	1.510	50	20	DDGD	
COc1nccnc1NNC(=O)CN(C)CCc1ccccc1	823670176	WNPMPMKPIWPHJU-UHFFFAOYSA-N	315.377	1.103	50	20	DDGD	
Cc1ncccc1C=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1	728779980	SDJYJMMJUXWWRR-MCIONIFRSA-N	318.421	1.585	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C	491614417	AFGDBJAKKQDCPK-UWVGGRQHSA-N	314.386	1.030	50	20	DDGD	
C[C@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1ccncc1	824385614	XSLWGYQEWZJJCX-LLVKDONJSA-N	323.360	1.899	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(Br)c(F)c1	823965169	JSXUAKNQUTZEAS-ZETCQYMHSA-N	305.147	1.546	50	20	DDGD	
CC(=O)NNC(=O)c1csc(-c2ccc3c(c2)OCO3)n1	726620979	NFNUXFUDZHCSLU-UHFFFAOYSA-N	305.315	1.320	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CCNC(=O)OC(C)(C)C	496332429	XUXYXBAYYBMGNP-UHFFFAOYSA-N	323.397	1.958	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1coc2ccccc12	826010864	YYCJJWZXDPKYTO-CMPLNLGQSA-N	317.345	1.688	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1ccc(C#N)c(F)c1	496878011	XKGCYZVJTMNXBU-UHFFFAOYSA-N	320.324	1.672	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)NC2CC2)CCC1)c1ccccc1F	729297098	UHJOLQGJEDHQNK-UHFFFAOYSA-N	319.336	1.036	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H](C)OC)cc1F	822645111	PROJQNXXWIWEKP-SSDOTTSWSA-N	301.343	1.187	50	20	DDGD	
CCOc1ccc(OC(C)(C)C(=O)NN(C)[C@H](C)CO)cc1	823977159	PTOHAJZRQVDPOD-GFCCVEGCSA-N	310.394	1.587	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)NCCCOC(C)C)cn1	490909353	MYMUOTFGNZISHW-ZROIWOOFSA-N	303.362	1.928	50	20	DDGD	
C#CCO[C@H](C)C(=O)NNC(=O)CSc1ccc(C)cc1	822210299	VMHJPQSZAWGCBD-GFCCVEGCSA-N	306.387	1.273	50	20	DDGD	
CC1CCN(C[C@H](C)NC(=O)NNC(=O)OC(C)(C)C)CC1	822697579	GHPUSWDELUNTCG-LBPRGKRZSA-N	314.430	1.846	50	20	DDGD	
COc1cccc(OCC(=O)NNC(=S)NCC2CCC2)c1	727869147	CZBJGSIHOAYSDE-UHFFFAOYSA-N	323.418	1.369	50	20	DDGD	
Cn1cc(-c2nn[nH]n2)cc1C(=O)NNc1ccc(Cl)nc1	822645735	MONDZRJJXDIXJK-UHFFFAOYSA-N	318.728	1.011	50	20	DDGD	
CC(C)OC(=O)CC[C@H](C)NC(=O)/C(C#N)=C\c1cnn(C)c1	491129909	HVTURKXVMXLMSZ-OBTCNRAFSA-N	318.377	1.564	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)/C=C\[C@H]1CCOC1	493520139	IELOBDVAFBTQRL-MVSYMCDOSA-N	322.336	1.333	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2cccnc2)cc1F	726435120	LPUAYGAWKUYRBR-UHFFFAOYSA-N	320.349	1.861	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNC(=O)c2cc(Cl)ccc2O)CCN1C	823974537	MEJOTFBRAIKHAR-PSASIEDQSA-N	311.769	1.147	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)c2cscn2)cc1	728338791	UZAOEEMRTFJIKX-UHFFFAOYSA-N	319.342	1.070	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc(OCCC)cc1	901966153	NFZVZVPBPHTACR-UHFFFAOYSA-N	324.402	1.588	50	20	DDGD	
COc1cc2nccc(N3CC[C@@H](B(O)O)C3)c2cc1OC	585078987	QWRFCUQICKCRDL-SNVBAGLBSA-N	302.139	1.305	50	20	DDGD	
CNC(=O)NN=Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1	497175931	GCBCHBGRMWHZNW-UHFFFAOYSA-N	323.353	1.272	50	20	DDGD	
Cc1cc(C)n(Cc2cccc(C(=O)NN(C)C[C@@H](C)O)c2)n1	821217239	GQELKJFABBAHDW-CQSZACIVSA-N	316.405	1.506	50	20	DDGD	
CC(=NNC(=O)c1ccccn1)c1ccc(-c2nn[nH]n2)s1	823954100	ZCVMEKHKFKFNEY-UHFFFAOYSA-N	313.346	1.477	50	20	DDGD	
C[C@H](CCc1ccc(O)cc1)NCc1ccc(B(O)O)cc1F	585022250	LGZISUCIMPGBLN-GFCCVEGCSA-N	317.169	1.322	50	20	DDGD	
O=C(CCc1cccnc1)NNc1cccc(-c2nn[nH]n2)c1	826409256	OYYSOXIHLCXQDV-UHFFFAOYSA-N	309.333	1.338	50	20	DDGD	
CO[C@@H]1CCC[C@@H](Cc2nc(-c3cccc(B(O)O)c3)no2)C1	585051673	CDOIRPZRBHATGW-BXUZGUMPSA-N	316.166	1.164	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccc(CN2CCCCC2)o1	820385610	HJMVEMKLKSPHMR-UHFFFAOYSA-N	319.340	1.952	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@H]1CCC[C@@H]1c1ccccc1	584911444	HVPLOFMYSMZXPQ-SJORKVTESA-N	309.174	1.889	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)NC2CCCC2)c1C1CC1	900413588	XRZUVKLYEDVWBO-UHFFFAOYSA-N	305.382	1.667	50	20	DDGD	
C[S@@](=O)Cc1cccc(C(=O)NNc2ccc(Cl)nn2)c1	735688437	WNKDLDIPKNOYHK-OAQYLSRUSA-N	324.793	1.765	50	20	DDGD	
Cc1nc(CCC(=O)NNC(=O)NCc2ccco2)cs1	733138297	FHLOVNSXWNBSPZ-UHFFFAOYSA-N	308.363	1.508	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(CSc2nc[nH]n2)cc1	731617433	KKZUMDZTTDWOTO-UHFFFAOYSA-N	320.378	1.061	50	20	DDGD	
CN(NC(=O)[C@H]1N(C(=O)OC(C)(C)C)CCC1(C)C)C(N)=O	831525873	URTLWULWLSDQOI-SECBINFHSA-N	314.386	1.064	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)COC1CCOCC1	735249111	YHEMSAREWWLZQQ-UHFFFAOYSA-N	320.389	1.352	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2	836271111	YMGLODHYGLWWOC-RWMBFGLXSA-N	317.393	1.666	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2[C@H](C)CCC2(C)C)n1	832565299	SARNRTWUZTYZLD-LLVKDONJSA-N	324.450	1.404	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cccc2[nH]ccc12	831405810	BNPSMVHHIKRXHZ-NXEZZACHSA-N	302.334	1.746	50	20	DDGD	
Cc1nnsc1C(=O)NNC(=O)Cc1ccc(Cl)cc1	731812194	RYJCTQWLDQRTRO-UHFFFAOYSA-N	310.766	1.504	50	20	DDGD	
CCc1cc(NNC(=O)c2ccnn2C)nc(-c2ccccn2)n1	734357248	QSFZMOSRDUXMHX-UHFFFAOYSA-N	323.360	1.591	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CCCCO1	837321391	HIEHVAGQHBCFIM-MRXNPFEDSA-N	320.345	1.178	50	20	DDGD	
CC(C)[C@@H]1OCCC[C@H]1CNCc1ccc(B(O)O)cc1F	585025745	BMEQKGJBIMNLTG-BBRMVZONSA-N	309.190	1.046	50	20	DDGD	
CC(C)[C@H](CC(F)(F)F)NC(=O)c1ccc(B(O)O)c(F)c1	584979172	MKHVCIRENHWDPS-NSHDSACASA-N	321.079	1.212	50	20	DDGD	
OB(O)c1ccc(CNCCCNc2ccccc2)c(F)c1	585016112	HZSQUHVPPOUBGJ-UHFFFAOYSA-N	302.158	1.097	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C2CCC2)cc2c1OCCO2	732144017	KHOOQRAAOCTAAQ-UHFFFAOYSA-N	306.318	1.028	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNC(=O)c1cc2c(s1)CCC2	732260609	WHKROYQXRXWZTH-NSHDSACASA-N	307.419	1.482	50	20	DDGD	
Cc1ccc2nc(CSCC(=O)NN(C)C[C@H](C)O)cn2c1	910175394	NROMPQGQRSVPAB-LBPRGKRZSA-N	322.434	1.220	50	20	DDGD	
CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1csc(C)c1	834944260	MXNVPPQKXURKKH-LLVKDONJSA-N	315.420	1.267	50	20	DDGD	
C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NNC(=O)c1ccc[nH]1	915291662	SGNQLJSXYBPMSY-LLVKDONJSA-N	313.357	1.732	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)C(=O)NNc1nccnc1C1CCC1	837653647	ZYASECAZXMXHLV-LLVKDONJSA-N	314.393	1.800	50	20	DDGD	
CC[C@H](Oc1ccccc1Cl)C(=O)NN(C)C[C@@H](C)O	910161727	AGOMKIKVURWYRO-PWSUYJOCSA-N	300.786	1.841	50	20	DDGD	
COCCN(C)CCNC(=O)NNc1cc(F)ccc1F	916330581	JJBSVERYUHSLMZ-UHFFFAOYSA-N	302.325	1.169	50	20	DDGD	
CC1(OCC(=O)NNC(=O)c2cccc3ncccc23)CCC1	746166262	AZYVAYCRAHHBKO-UHFFFAOYSA-N	313.357	1.955	50	20	DDGD	
CCC(=NNC(=O)c1ccc2c(c1)OCO2)c1cnn(C)c1	741809674	DPTIQYOOIINIJR-UHFFFAOYSA-N	300.318	1.693	50	20	DDGD	
Cc1nc(C(C)C)ncc1C(=O)NNC(=S)N[C@H](C)C1CC1	912159222	DLCPAVMXVPZBPA-SECBINFHSA-N	321.450	1.816	50	20	DDGD	
CO[C@](C)(C1CC1)[C@H](C)NC(=O)NNC(=O)c1ccccc1F	840420357	ZSGSDINRFHYELJ-QFYYESIMSA-N	323.368	1.973	50	20	DDGD	
O=C(NCc1cc[nH]n1)NNC(=O)C12CC3CC(CC(C3)C1)C2	916636089	SAXLJCOMWPVMCZ-UHFFFAOYSA-N	317.393	1.457	50	20	DDGD	
CC1(C)CC[C@H]1NCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	846962244	VLFSTZYYBCGZNF-GFCCVEGCSA-N	320.349	1.134	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)SCC(=O)OC(C)C	741475659	AGALZVPSNGJSBV-JTQLQIEISA-N	304.412	1.253	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NN=C1C[C@H](C)n2ncnc21	841611805	BFVVGEGJOZYJGH-UWVGGRQHSA-N	317.324	1.670	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=Cc2ccc(C(N)=O)cc2)c1	915945720	YFDBCJFWPUCZAK-UHFFFAOYSA-N	310.357	1.615	50	20	DDGD	
O=C(CCOCc1ccccc1)NNC(=O)c1ccccc1O	918691047	CBMBWRPMEGJAEA-UHFFFAOYSA-N	314.341	1.760	50	20	DDGD	
CCN1C[C@@H](CNC(=O)[C@@H](Br)C(C)(C)C)CC1=O	846466443	SJXMEZJMOVLAOZ-MWLCHTKSSA-N	319.243	1.781	50	20	DDGD	
Cc1ccccc1[C@@H]1C[C@H]1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	845379958	NEHODNYZRVFAML-REBRKWNGSA-N	317.389	1.606	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2cc(C)n(C)n2)o1	841622051	LCEPLWYLONQLET-UHFFFAOYSA-N	317.393	1.927	50	20	DDGD	
CC(C)COc1cccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	843646321	KEZPKJAXTCYZBQ-SWLSCSKDSA-N	320.389	1.907	50	20	DDGD	
CC(C)CNC(=S)NNC(=O)c1cccc2cccnc12	747366877	MJPPWJNFABNRSY-UHFFFAOYSA-N	302.403	2.000	50	20	DDGD	
C[C@@H]1CN(CCNC(=O)[C@]2(C)C[C@H]2Br)[C@H](C)CO1	912394589	UIYRIQQXOOKSLS-PRULPYPASA-N	319.243	1.385	50	20	DDGD	
CC1(C)C[C@H]1CNC(=O)NNc1ncc(Br)cn1	847317428	TVDVYVRDSLYDOO-ZETCQYMHSA-N	314.187	1.911	50	20	DDGD	
CC[C@@H](C(=O)NNC(=S)NC[C@H]1CCOC1)c1ccccc1	749700390	BKKCMSQFGAXXQM-TZMCWYRMSA-N	321.446	1.712	50	20	DDGD	
O=C(NC[C@@H]1C[C@H](F)CN1)[C@@]12CC[C@@H](C[C@@H]1Br)C2	846679408	UCQUMQMZHSQGCO-CCJOIDDDSA-N	319.218	1.756	50	20	DDGD	
NC(=O)c1ccc(C=NNC(=O)Cc2cn3ccccc3n2)cc1	747638337	KXEWQLXKEOOIIE-UHFFFAOYSA-N	321.340	1.126	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)COc2ccccc2C#N)n1	747981935	MAPOTAVRBWDEGL-UHFFFAOYSA-N	317.736	1.832	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@H](C)C(F)(F)F)c1	743295679	QUZSVJDVYGEZSV-QMMMGPOBSA-N	319.283	1.453	50	20	DDGD	
COc1c(C)cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1C	843663188	VZCYLZFRYPWMRM-WCQYABFASA-N	306.362	1.498	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N[C@H]1CC1(C)C	840410213	ATAYDTXSYLSJKK-JTQLQIEISA-N	301.350	1.385	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cc(Cl)c2c(c1)OCO2	744817748	NJAXWHJFZUWMEB-UHFFFAOYSA-N	311.725	1.043	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNc2ccc(F)cc2OC)C1	846641755	NUJGUGFIUTXJKW-JTQLQIEISA-N	309.341	1.536	50	20	DDGD	
CCC(=NNC(=O)CN1CCCC1=O)c1cc(F)ccc1F	743431454	VOTAFUUXFABBNR-UHFFFAOYSA-N	309.316	1.818	50	20	DDGD	
CCc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1ncccn1	841352066	FZJURCUPDJQXGH-UONOGXRCSA-N	310.357	1.604	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NN=Cc2cnon2)C1	841641179	VHNFIKHIDRYBGF-JTQLQIEISA-N	323.353	1.167	50	20	DDGD	
C[C@H]1COC[C@@H]1NC(=O)NNC(=O)Nc1ccc(Cl)cc1	926021484	XZIZSAGUSDVCJL-KWQFWETISA-N	312.757	1.711	50	20	DDGD	
Cn1c(NNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)nc2ccccc21	848380082	YKESOETYRJBDHY-SNVBAGLBSA-N	313.361	1.027	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1ccc(C(F)(F)F)cn1	847753825	FTNMDDPZXBONOI-HTQZYQBOSA-N	302.256	1.055	50	20	DDGD	
CC(=O)c1cccc(NC(=O)NNc2nccn(C)c2=O)c1	747868977	GZLBIGSXZOHWRL-UHFFFAOYSA-N	301.306	1.132	50	20	DDGD	
Cc1nn(C)c2sc(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)cc12	843642973	LARMRAACOKWBLV-IUCAKERBSA-N	322.390	1.129	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCC2CCNCC2)c(F)c1	841924315	XGNHNNINWJAQIO-UHFFFAOYSA-N	324.356	1.238	50	20	DDGD	
O=C(NC[C@H]1CCCN1)NNc1ccc(OC(F)F)cc1	841937187	OTHZUDZZYHTNMT-SNVBAGLBSA-N	300.309	1.666	50	20	DDGD	
Cc1ccc2c(c1)CCC2=NNC(=O)[C@@H]1CCS(=O)(=O)C1	921259005	UGWBEDLEFFLGBD-GFCCVEGCSA-N	306.387	1.196	50	20	DDGD	
Cn1nccc1COCC(=O)NC[C@]1(C)C[C@H]1Br	857388749	VSJKANYXVICCLD-PWSUYJOCSA-N	316.199	1.226	50	20	DDGD	
CCOc1cncc(C=NNC(=O)Cc2nc(C)cs2)c1	857207500	GTLWVOUAXZTKFR-UHFFFAOYSA-N	304.375	1.938	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)CCn2cccc2)cc1	751059846	LGFAUHMTURJOCY-UHFFFAOYSA-N	316.361	1.146	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCCn2cccn2)c1C	855627506	QXELWYZMCMRRID-UHFFFAOYSA-N	316.361	1.902	50	20	DDGD	
CC(C)(C)c1noc(CCCC(=O)NNc2ccncn2)n1	857519645	BJZKQTYCTIYPIG-UHFFFAOYSA-N	304.354	1.623	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)OCC(F)(F)F)c(F)c1	856024965	LCLISBBXIUHWJZ-UHFFFAOYSA-N	310.203	1.768	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)COc2ccccc2F)c(C)n1	858129496	LHMNTQWAXVRBAB-UHFFFAOYSA-N	320.324	1.191	50	20	DDGD	
CCOC(=O)CC[C@H](O)CNC[C@@]1(C)C[C@H]1Br	857241576	YLRFOYDEYIFXDZ-HOSYDEDBSA-N	308.216	1.454	50	20	DDGD	
CCOC(=O)NC1CCC(=NNC(=O)[C@@H]2CCCCO2)CC1	853353214	UMLCNNGXGPLOQE-YUZLPWPTSA-N	311.382	1.716	50	20	DDGD	
COCCOCCN(C)C(=O)NC[C@]1(C)C[C@H]1Br	856958877	PBJZNSCOFBTSEN-PWSUYJOCSA-N	323.231	1.464	50	20	DDGD	
CSC(C)(C)C(=O)NNC(=O)[C@H]1COc2ccccc2O1	854179589	DJULVLIZVMXGBG-LLVKDONJSA-N	310.375	1.115	50	20	DDGD	
O=C(/C=C\c1ccc(Cl)nc1)NNC(=O)CC(F)(F)F	759771380	FZXUPAZZPXKTKE-RQOWECAXSA-N	307.659	1.848	50	20	DDGD	
C[S@@](=O)C1(CNC(=O)NNc2cc(F)ccc2F)CCC1	922333022	WPPNUWOKKQYDEG-OAQYLSRUSA-N	317.361	1.892	50	20	DDGD	
CC1(C)C(=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)[C@@H]2CCCO[C@@H]21	853388481	INYNBBPIKWACAZ-OSFYFWSMSA-N	321.421	1.157	50	20	DDGD	
C[C@@H]1CCN(C[C@@H](CBr)C2CC2)CCS1(=O)=O	859277833	COWREMFTEBDJDG-ZYHUDNBSSA-N	324.284	1.917	50	20	DDGD	
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)Cc1cccnc1	852060059	QQLYIZGNCDRGBG-QXMXGUDHSA-N	302.378	1.628	50	20	DDGD	
O=C(NN=Cc1csc([N+](=O)[O-])c1)C(=O)Nc1ccccn1	758379761	HJRBQAREGHHDJO-UHFFFAOYSA-N	319.302	1.140	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC(C)(C)[C@@H]1c1cccnc1	854040250	BCNVZSVFORIKNL-RISCZKNCSA-N	304.394	1.410	50	20	DDGD	
CC1(C)OCC(NC(=O)NNc2cccc([N+](=O)[O-])c2)CO1	758727744	UMKPRCASQXLZPR-UHFFFAOYSA-N	310.310	1.372	50	20	DDGD	
CCOCCS(=O)(=O)NC[C@]1(C)C[C@@H]1Br	856756428	PAJGAEQDVJYMGG-IUCAKERBSA-N	300.218	1.116	50	20	DDGD	
C[C@H](O[C@H](C)C(=O)NC[C@]1(C)C[C@@H]1Br)C(=O)O	856717252	DVKYXYJRWZZKNT-GLLZPBPUSA-N	308.172	1.154	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)C1CCN(C2CC2)CC1)C1CC1	855100229	XLULAFWZTYPLIW-SNVBAGLBSA-N	310.467	1.155	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NNC(=O)c1cccc(F)n1	856424867	UROUMHJHTRWZMU-AXFHLTTASA-N	308.357	1.243	50	20	DDGD	
O=C(NNC(=O)c1csc(C2CCCCC2)n1)c1cc[nH]n1	855355163	QPNJVJYOPDKIMQ-UHFFFAOYSA-N	319.390	1.989	50	20	DDGD	
COC(=O)c1cccc(NC(=O)NNC(=O)c2cccnc2)c1	861708051	PUBUVRURHSHQCG-UHFFFAOYSA-N	314.301	1.335	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NNC(=S)Nc1ccccc1OC	865273254	XVHKPEOKNXVSND-CABZTGNLSA-N	309.391	1.438	50	20	DDGD	
CC(C)N1CCC[C@H]1C(=O)NNc1cc(C#N)cc(Cl)n1	935183930	RTFATYAUUIOHHU-NSHDSACASA-N	307.785	1.923	50	20	DDGD	
Cc1cc(=O)c(C(=O)NN[C@@H](C)C(F)(F)F)cn1C1CC1	862319656	JNTOJBPXXUZDIC-QMMMGPOBSA-N	303.284	1.677	50	20	DDGD	
CC(C)(C)OC(=O)Cn1cc(C(=O)NCC(Cl)Cl)nn1	868328045	SOKQOZCVDXQZNV-UHFFFAOYSA-N	323.180	1.153	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCC(=O)N1)c1cc2c(s1)CCCC2	863147599	JRAGPSLBQOJUDI-LLVKDONJSA-N	305.403	1.746	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)C2CCC2)c(F)cc1C#N	861264907	UCEOSZHZOQCZCL-UHFFFAOYSA-N	306.297	1.659	50	20	DDGD	
O=C(Cc1ccc(F)cc1F)NNC(=S)Nc1ccccn1	768580786	JVIJFGDFNYJYIS-UHFFFAOYSA-N	322.340	1.920	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC(=O)Nc2cnccc21	866886613	DZEJKLRHUQTTHP-UHFFFAOYSA-N	317.798	1.435	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)CCc1cn[nH]c1	863865312	QFYKMIRPSRMPMN-UHFFFAOYSA-N	300.362	1.513	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cccc(N2CCCCC2)c1	763440761	KVIDBNONFBOGGI-UHFFFAOYSA-N	318.377	1.173	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@](C)(O)c2ccc(F)cc2)n1	933985426	HOMJIHZMAAJBTC-HNNXBMFYSA-N	320.324	1.284	50	20	DDGD	
CN(C)CC(=O)NN=C(Cc1ccccc1[N+](=O)[O-])C1CC1	763172204	HDUNYTMNEBKWQR-UHFFFAOYSA-N	304.350	1.581	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccccc2)c(O)c1	764111522	XMUKCAHXMSSRQQ-UHFFFAOYSA-N	313.313	1.100	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cccc(OCC(F)F)n1	761146801	IIMYPKCLANCCMP-UHFFFAOYSA-N	302.281	1.080	50	20	DDGD	
CSc1ccc(C)c(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1	860882416	BWFHICCZBSQGEH-SNVBAGLBSA-N	322.390	1.148	50	20	DDGD	
O=C(COC/C=C\c1ccccc1)NNC(=O)CC(F)(F)F	763753398	BTOPTTISYVNZCK-DAXSKMNVSA-N	316.279	1.816	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)OCC2(CO)COC2)c1	763633039	VWWYPIXPEYVUQK-WLRTZDKTSA-N	303.314	1.154	50	20	DDGD	
Cc1cc(=NNC(=O)Nc2cnc(CC(C)C)nc2)cc[nH]1	861034063	FONHZYPTRSAQGE-UHFFFAOYSA-N	300.366	1.949	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccc(CN2CCCC2=O)c1	769949588	SJGHFOSRKIGKPS-UHFFFAOYSA-N	320.349	1.592	50	20	DDGD	
C/C(=C\C(=O)NNCC(F)(F)C(F)(F)F)c1cnccn1	863101942	NUPHWEVVZFARPM-QPJJXVBHSA-N	310.226	1.698	50	20	DDGD	
CCN(CC(C)C)C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1118819744	LAPMWMRBIAYLPZ-ZWNOBZJWSA-N	319.243	1.781	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@@H](C)c2nnc3n2CCC3)n1	875255614	AYYUEKUPYIWTNA-JTQLQIEISA-N	301.354	1.315	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@H]2COc3c(C)cccc3C2)cc[nH]1	875608341	OKHGSQKTWRZOMW-OAHLLOKOSA-N	312.373	1.750	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)N[C@H]1CC12CCC2	876426388	IPNFRNKHZNLFQR-MFKMUULPSA-N	321.352	1.866	50	20	DDGD	
Cc1cc(C(=O)NN=C2CCN(C(=O)CC(C)(C)C)CC2)n[nH]1	764797635	SYOUDVBNLOMQAR-UHFFFAOYSA-N	319.409	1.863	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1cc(F)ccc1N(C)C	873803765	SVZKEGOFYSOGPF-UHFFFAOYSA-N	324.356	1.024	50	20	DDGD	
CC[C@@H](CC(F)(F)F)NC(=O)NNC(=O)Cc1ccncc1	760720070	SBGIRLSBSXMQES-JTQLQIEISA-N	318.299	1.686	50	20	DDGD	
C[C@H]1CC[C@H](CNC(=O)NNc2ccc(C(C)(C)C)nn2)O1	1117866447	SCNWNQLSQYJJGX-WDEREUQCSA-N	307.398	1.968	50	20	DDGD	
CCn1cc(C(=O)NNc2ccnc(N(C)C)n2)c(C2CC2)n1	878918538	RCRVVZKLEKKFLP-UHFFFAOYSA-N	315.381	1.393	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2C	875225154	BLROUWCIBYQINJ-VIFPVBQESA-N	320.349	1.179	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nnn(C)n2)c1C	770020407	GAIOSQDOGMVNEU-MDWZMJQESA-N	313.365	1.584	50	20	DDGD	
C=CCCCCNC(=O)NNC(=O)c1c(C)nc2ccccn12	770304603	BVHZEDONWHVTAW-UHFFFAOYSA-N	315.377	1.943	50	20	DDGD	
CON=CC(=O)NNC(=O)c1sc(-c2ccccc2)nc1C	773712518	KOFNLFIBOAZZPK-UHFFFAOYSA-N	318.358	1.512	50	20	DDGD	
COCC1(S(=O)(=O)NNC(=O)c2ccccc2Cl)CC1	1119288111	WDVZMWFMWBPNIN-UHFFFAOYSA-N	318.782	1.083	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)ccc1O	1116501881	ISETZRSEAYTMLM-UHFFFAOYSA-N	314.345	1.377	50	20	DDGD	
COc1cc(F)cc(OC)c1C=NNC(=O)[C@H]1CCCCO1	872380952	TVFULASVCNEHMK-GFCCVEGCSA-N	310.325	1.862	50	20	DDGD	
CC(=O)OCC(C)(C)CC(=O)NNC(=S)Nc1ccccn1	874955593	BWQJFGGNTJFHAN-UHFFFAOYSA-N	324.406	1.379	50	20	DDGD	
C[C@@H](CBr)COC(=O)[C@H]1CCCCS1(=O)=O	772410547	VVBNGMUXYAMKAM-DTWKUNHWSA-N	313.213	1.528	50	20	DDGD	
COCCOCC(=O)NN=Cc1c(OC)ccc2ccccc12	872402678	NVHBEGJMEKIWOF-UHFFFAOYSA-N	316.357	1.962	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@H]2CCC=CO2)cc1OC	777840614	DYAVXDBDZASJRN-ZDUSSCGKSA-N	320.345	1.548	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccc(-n3cccn3)cc2)n1	874083475	DJYWWYIKFYUTSQ-UHFFFAOYSA-N	322.372	1.836	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)CC(C1CC1)C1CC1	1116010374	BLXUPUVZEFTANS-UHFFFAOYSA-N	318.373	1.745	50	20	DDGD	
C[C@@]1(CNC(=O)N[C@H]2C[C@@H](C(=O)O)C2)C[C@H]1Br	874408031	MAQIIRAXVRVOTQ-UVMAFCGOSA-N	305.172	1.322	50	20	DDGD	
C[C@@H](O)c1ncc(C=NNC(=O)COc2ccccc2F)s1	773005039	IDONIDUKYSQREL-SECBINFHSA-N	323.349	1.865	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2cnn(C)c2C)cc1C	871180660	UAFBSMBJAMUBQJ-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(Cl)cc1F)c1nnnn1C	1123741863	JLXUHYSDDRMVFN-ZCFIWIBFSA-N	313.724	1.390	50	20	DDGD	
C=C/C=C\CCNC(=O)NNC(=O)c1ccc(OC)c(OC)c1	883422571	QNHQLKJEQALQJK-WAYWQWQTSA-N	319.361	1.780	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc(C=O)c1	772187286	ULDMTEXWZCOXFV-LLVKDONJSA-N	320.345	1.238	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1cnn(Cc2ccccc2Cl)c1	785458262	STBRNQAHPBJLLE-UHFFFAOYSA-N	320.780	1.806	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](C)OCc1cccc(OC)c1	887141839	LAVQEVPVWTWIAQ-CYBMUJFWSA-N	318.373	1.551	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)C1CCOCC1	883060557	PQECHWDAYXNQGX-ZIAGYGMSSA-N	306.337	1.503	50	20	DDGD	
O=S(=O)(CBr)Oc1ccc2c(c1)OCCCO2	782436256	WJJUXDPVUHGECS-UHFFFAOYSA-N	323.164	1.909	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cccc3[nH]ccc23)ncn1	783948139	IDLBIYWBAYYWDH-UHFFFAOYSA-N	310.317	1.348	50	20	DDGD	
Cn1ccnc1CCC(=O)NNc1ccc(C(F)(F)F)nn1	1123767256	RQFWCPRHIMXSTC-UHFFFAOYSA-N	314.271	1.305	50	20	DDGD	
COCCONC(=O)NNC(=O)c1cccc2ccccc12	789354962	VUCGJGFXVCRGAB-UHFFFAOYSA-N	303.318	1.362	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)CCn1ncn(C)c1=O	885126873	IBOVNOKHHPVCLF-UHFFFAOYSA-N	309.757	1.077	50	20	DDGD	
CCc1ncoc1C(=O)NNc1ccc(C(F)(F)F)nn1	1120710643	OPZMSDHTHLAWKA-UHFFFAOYSA-N	301.228	1.803	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](O)c2cccnc2)c1	780802451	VEPSLFABEXUZAK-CYBMUJFWSA-N	301.302	1.045	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCc2cnccn2)c1	780839923	DKHXFFREBWEIFU-UHFFFAOYSA-N	315.333	1.132	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1c[nH]nc1-c1ccccn1	899997148	JIRCZDBXCWIHCX-UHFFFAOYSA-N	318.406	1.379	50	20	DDGD	
N[C@H]1C[C@H](CNC(=O)NNC(=O)CCCc2ccccc2)C1	892577305	DPRUOXPQRQQVCG-HDJSIYSDSA-N	304.394	1.077	50	20	DDGD	
Cn1nccc1COCC(=O)NNc1ccc(Cl)c(F)c1	786426468	JNYRYAKFILMKQQ-UHFFFAOYSA-N	312.732	1.873	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1csc(N2CCCCC2)n1	895524952	VIJNBBCYWUWTOO-UHFFFAOYSA-N	310.423	1.941	50	20	DDGD	
CSSCCNC(=O)N1CCC(CNC(C)=O)CC1	790876496	QEGZDYBAGVLBNX-UHFFFAOYSA-N	305.469	1.555	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cccc3c2CCO3)o1	797670579	LIMKQFRDEVLBHE-UHFFFAOYSA-N	301.302	1.989	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(-c2ccccc2)no1	798304978	GGDVUCLNFGPCFP-UHFFFAOYSA-N	302.359	1.637	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN[C@@H]2CSC[C@@H]2C)cc1	796401545	DWSFYXLQTWOALR-WCQYABFASA-N	307.419	1.097	50	20	DDGD	
COc1nccnc1NNC(=O)C[C@@H](c1ccccc1)N(C)C	791226328	WFLUYNOBWVLEBI-ZDUSSCGKSA-N	315.377	1.621	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C2(N(C)C)CCC2)cc1	792803295	QCJQGTAXFAAFKA-UHFFFAOYSA-N	319.405	1.260	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@H]2CCCCS2)n1	793086692	VMCYPXWSVFQALO-LLVKDONJSA-N	308.407	1.620	50	20	DDGD	
CN(C)[C@H]1CCCC[C@@H]1NC(=O)NNc1cncc(Cl)n1	1318409697	XUYTXYBBZLFEKW-UWVGGRQHSA-N	312.805	1.629	50	20	DDGD	
C[C@H](C(=O)NNC(=O)COc1ccccc1F)n1cccc1	1319825460	ZMHZURQUTVNKBI-LLVKDONJSA-N	305.309	1.415	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccccc1N1CCCC1=O	1317773427	HSIQYVSIGFAZKO-UHFFFAOYSA-N	319.361	1.983	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CC[C@]3(CCN(C)C3)C2)c1	1328731941	UZZXDRPAXJNLSV-HNNXBMFYSA-N	322.434	1.439	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)N[C@@H]1CCc2ccccc21	1327819883	UNIKMFVZDIDBCA-CQSZACIVSA-N	302.378	1.004	50	20	DDGD	
CCc1nn(C)c(OC)c1C=NNC(=O)c1ccc(C)c(O)c1	1330908290	MHKGOYUSVMFYHF-UHFFFAOYSA-N	316.361	1.769	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1cc(C)ccc1F	1338529340	ZHVKRYUDTMWIIA-UHFFFAOYSA-N	305.309	1.024	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)CN1CCC(CO)CC1	1336480601	MVKUIAPWWVRULH-UHFFFAOYSA-N	305.422	1.705	50	20	DDGD	
O=C(NNc1ncncc1F)[C@@H]1CCCN(CC(F)F)C1	1261876142	AEBXDBWDXIEBEH-MRVPVSSYSA-N	303.288	1.036	50	20	DDGD	
C[C@@H]1CN2CCN1C[C@H]2C(=O)NNc1cccc2c1CCCC2	1348139471	FOQWXBDRYXYFGX-DYVFJYSZSA-N	314.433	1.397	50	20	DDGD	
CCO[C@H]1CCN(C(=O)NNC(=O)C(C)(C)c2ccccc2)C1	1341422082	JOSZPCHWBUWMLO-AWEZNQCLSA-N	319.405	1.816	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNC(=O)c2ccccc2O)c1	1607589937	XYJOHMSUJUDPCZ-UHFFFAOYSA-N	314.297	1.474	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)c1ccc(-c2nn[nH]n2)o1	1609558705	CNZZDMJAUNXELT-UHFFFAOYSA-N	305.685	1.265	50	20	DDGD	
O=C(COc1ccsn1)NNc1ccc(C(=O)O)c(F)c1	1601345347	CDQJCKCUNNSZHO-UHFFFAOYSA-N	311.294	1.503	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1cccc(C(=O)O)c1F)C1CC1	1606677269	YFCKEFSQHNNDPN-NSHDSACASA-N	311.313	1.575	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)/C=C/c1ccc(C(=O)O)o1	1603350249	RKBXIZQQPXANAC-FNORWQNLSA-N	311.363	1.285	50	20	DDGD	
C[C@H]1CCCC[C@H]1NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1603890897	ODIYYKUISUNGSV-GXSJLCMTSA-N	316.369	1.467	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NNc1ccc(F)c(C(=O)O)c1	1603344535	LKLGHFYWPBIZGB-LBPRGKRZSA-N	309.341	1.840	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H]1CC[C@H](C(=O)O)CC1	1604020338	HBIURRBPWXGBNA-XYPYZODXSA-N	306.366	1.934	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(CC(=O)O)cc1)[C@@H]1CCCOC1	1604291544	NESZWFJPXGABPD-DGCLKSJQSA-N	321.377	1.755	50	20	DDGD	
CC[C@H](C)C(C)=NNC(=O)COc1ccccc1-c1nn[nH]n1	1609184074	OZQMNXGKXALYPZ-JTQLQIEISA-N	316.365	1.784	50	20	DDGD	
CCOCCCCNC(=O)NNc1ccc(CC(=O)O)cc1	1605629601	XVMAQYWEEDDUOA-UHFFFAOYSA-N	309.366	1.757	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCC(O)(C(=O)O)CC1	1608170422	YZACHFWWHHTVNS-FMIVXFBMSA-N	318.304	1.171	50	20	DDGD	
NC(=O)CCCCC(=O)NNc1ccc(C(=O)O)c(Cl)c1	1610637611	UOZQKHBCADUXGO-UHFFFAOYSA-N	313.741	1.527	50	20	DDGD	
O=C(CN1CCCCCC1=O)NNc1ccc(C(=O)O)cc1F	1610664229	LFUVXKIUBRZQMW-UHFFFAOYSA-N	323.324	1.370	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)cc1F	1549318439	PQUUMLFDKXDMCF-ZFWWWQNUSA-N	305.353	1.447	50	20	DDGD	
O=C(NN=Cc1ccc2c(c1)COC2)[C@@H]1CN2CCC[C@@H]2CO1	1549319082	SJYUUUODGOPKCQ-CVEARBPZSA-N	315.373	1.030	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NN=C[C@H]2CCCO[C@@H]2c2nccn2C)O1	1552672491	NGBHHMWQJDCZMD-SYQHCUMBSA-N	320.393	1.557	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC[C@H]1C(=O)O)c1ccc2ccccc2n1	1574579321	ZCHMFBUELKPEEP-WDEREUQCSA-N	313.313	1.107	50	20	DDGD	
ClCCCOc1ccc(CN[C@H]2COC3(CNC3)C2)cc1	1579938431	VDXIQCOFKXIEDC-CQSZACIVSA-N	310.825	1.915	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2N1)c1ccccc1F	1580733030	MELZXWHTYHXCOS-CQDKDKBSSA-N	319.380	1.898	50	20	DDGD	
CO[C@H](C(=O)NNc1ccc(C(=O)O)cn1)c1ccc(O)cc1	1599029261	XGNATZBJSDJOTD-ZDUSSCGKSA-N	317.301	1.316	50	20	DDGD	
COCCCCCNC(=O)NNc1cccc(-c2nn[nH]n2)c1	1591413088	HXIORCLGUUWYJC-UHFFFAOYSA-N	319.369	1.310	50	20	DDGD	
CC(C)(CC(=O)O)CC(=O)NNC(=O)c1cccc(Cl)n1	1590635023	ARUXWNSWNNZJFS-UHFFFAOYSA-N	313.741	1.387	50	20	DDGD	
C[C@H](CC(=O)O)CC(=O)NNc1nc(-c2ccncc2)no1	1592391165	DKHVJOUWKSWBQA-QMMMGPOBSA-N	305.294	1.076	50	20	DDGD	
Nc1cc(C(=O)NNc2ncccc2C(=O)O)cc(Cl)n1	1594664085	UIZWDUJHDHMTQW-UHFFFAOYSA-N	307.697	1.167	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)Cc1ccc(C(=O)O)nc1	1599426967	RGIPLSWTNZFHOV-UHFFFAOYSA-N	319.292	1.613	50	20	DDGD	
COc1ccc(C)c(C=NNC(=O)[C@@H]2CCOC2)c1C(=O)O	1776058340	XSEZSVPVPGVWDH-SNVBAGLBSA-N	306.318	1.188	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc(Cn3cncn3)cc2)n1	11547698	NFAKIFDELJDYQH-UHFFFAOYSA-N	323.360	1.490	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1ccc(N2CCOCC2)cc1	3333865	RQFZIKHXFCMGEM-NTCAYCPXSA-N	315.373	1.193	50	20	DDGD	
O=C(C[C@@H]1CNCCO1)NNc1ccccc1C(F)(F)F	151760585	BKTCMARECRYZIJ-SECBINFHSA-N	303.284	1.527	50	20	DDGD	
CC(C)C[C@@H](C(=O)NNC(=O)c1ccc[nH]1)N1CCCCC1=O	151549418	ADBVFUGVFYMOJP-ZDUSSCGKSA-N	320.393	1.203	50	20	DDGD	
O=C(CSCc1cccnc1)NNc1ncccc1[N+](=O)[O-]	153526571	WWOCHSOXELNXQA-UHFFFAOYSA-N	319.346	1.761	50	20	DDGD	
O=C(CC1(N2CCOCC2)CCCC1)NNc1ncc(F)cn1	157735721	UXNCIXPJKBOPAA-UHFFFAOYSA-N	323.372	1.094	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)c2ccc(-n3cccc3)cc2)nn1	154387458	NLJFPKXEHXADJX-UHFFFAOYSA-N	322.328	1.123	50	20	DDGD	
Cc1cc(C)cc(C(=O)NNC(=O)CNC(=O)c2ccco2)c1	156888879	IPPNVAQZEPEMPL-UHFFFAOYSA-N	315.329	1.087	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)N(C)C)cc1	8292286	MQQHWBKDLNDDFZ-GJSJWPQCSA-N	302.330	1.622	50	20	DDGD	
CN1CCC[C@H]2CN(S(=O)(=O)CC(C)(C)CCl)CC[C@@H]21	866972290	PCCMHFPUXIQBMS-STQMWFEESA-N	322.902	1.997	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1	8392053	ZOFCORQHKAGIFG-UHFFFAOYSA-N	303.362	1.024	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)o1	53625527	HXUZEKGTMNUYGV-UHFFFAOYSA-N	302.286	1.434	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@H]2COc3ccccc32)c1	113049283	NSWWLZZSBUWKMC-AWEZNQCLSA-N	307.309	1.495	50	20	DDGD	
COC(=O)[C@H](NNC(=O)CC1CCCC1)c1cccc(C#N)c1	176746111	YGHBQISTSUUIEX-MRXNPFEDSA-N	315.373	1.973	50	20	DDGD	
O=C(CCC1CC1)NNC(=O)c1cc(Br)c[nH]1	115321046	CHELHKYHDBIFGR-UHFFFAOYSA-N	300.156	1.728	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)CCc1ccc(Cl)cc1	113265897	BEQFXZUBCILJGN-NSHDSACASA-N	311.813	1.760	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCc1nc(C)no1)c1ccccc1	110340797	HUKSWLQJDWSGOX-ZDUSSCGKSA-N	316.361	1.652	50	20	DDGD	
Cc1ccc(C)c(C(=O)NNC(=O)Cc2cn3ccccc3n2)c1	173875012	XDOBXCMVEBVFBR-UHFFFAOYSA-N	322.368	1.955	50	20	DDGD	
Cc1cc(C(=O)NNc2ccccc2)nc2nc(O)[nH]c(=O)c12	178819359	KURQMCGMKGBZDO-UHFFFAOYSA-N	311.301	1.089	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1cc(OC)ccc1OC	67189737	IHHBVZPAXLKASC-LCYFTJDESA-N	304.346	1.763	50	20	DDGD	
CC1CCC(=CC(=O)NNC(=O)CNC(=O)c2ccco2)CC1	114637806	AHRYRQYHUQIPIW-UHFFFAOYSA-N	319.361	1.293	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ncccn1)Oc1ccc(F)cc1	173280692	AZWBBCYGWKSKNI-JTQLQIEISA-N	305.313	1.709	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2nc(C3CC3)cs2)[nH]n1	178584248	JHDMYZBLAGHKHU-UHFFFAOYSA-N	306.351	1.519	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCCCCNC(C)=O)cc1	302166931	BAEAIIYOQFZLHZ-UHFFFAOYSA-N	319.405	1.707	50	20	DDGD	
Cc1cccnc1[C@@H](NCC(=O)NNC(=O)C1CC1)C(C)C	120788472	BQYQQCATLXPGNR-AWEZNQCLSA-N	304.394	1.234	50	20	DDGD	
COc1ccccc1CCNC(=O)NNC(=O)c1ccc[nH]1	127043298	CXSMQXOSVSEPNP-UHFFFAOYSA-N	302.334	1.210	50	20	DDGD	
O=C(NC[C@H]1CCCO1)NNC(=O)c1cc2ccccc2o1	122743530	JJVNZXJQKGGKCG-LLVKDONJSA-N	303.318	1.556	50	20	DDGD	
C[S@](=O)Cc1ccccc1NC(=O)NNc1cnccn1	184329130	UWYSHULGTQSWJW-NRFANRHFSA-N	305.363	1.504	50	20	DDGD	
O=C(NNC(=O)c1ccncc1Br)c1ccc[nH]1	124234676	CRYOWACUNFVSEV-UHFFFAOYSA-N	309.123	1.247	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCC[C@H](CC(N)=O)C1	183422102	AJVBKGWPBYJVGO-HRYODUOUSA-N	315.348	1.847	50	20	DDGD	
O=C(CCc1nc(-c2ccoc2)no1)NNc1ncc(F)cn1	122485295	QWNRUCHGEHFIKH-UHFFFAOYSA-N	318.268	1.335	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)C(=O)Nc1ccsc1	122496505	RGMZDWGVWDMNLT-UHFFFAOYSA-N	321.333	1.216	50	20	DDGD	
O=C(NC[C@H]1CCCO1)NNC(=O)c1ccc(Cl)cc1F	122732889	NYPWCKYTJMUHDM-SECBINFHSA-N	315.732	1.602	50	20	DDGD	
CC(C)n1cc(NC(=O)C(=O)NNC(=O)CC2CCCC2)cn1	125877912	UZRNKPZACZGEDK-UHFFFAOYSA-N	321.381	1.130	50	20	DDGD	
CSCC[C@H](NC(N)=O)C(=O)NNc1c(C)cccc1F	184331713	RCIRBQBFNNGNFY-JTQLQIEISA-N	314.386	1.367	50	20	DDGD	
Cc1ncsc1/C=C/C(=O)NNC(=O)c1ccc(Cl)nc1	187435572	QHWWBKLESVSWFJ-HWKANZROSA-N	322.777	1.974	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@H]1CCCN(C(=O)C2CC2)C1	182471183	UUFOTFWFVJJTIH-NSHDSACASA-N	306.341	1.312	50	20	DDGD	
O=C(NNc1ccccc1Cl)N[C@@H]1CCS(=O)(=O)C1	42868908	TUMWZEVXFSUXTA-MRVPVSSYSA-N	303.771	1.153	50	20	DDGD	
CCN1CCN(CCI)C(C)(C)C1=O	191086235	XVDCCOZQOGNJMZ-UHFFFAOYSA-N	310.179	1.364	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cccc(-n3cccn3)n2)n1	135361008	XHXGUAIUDORZKW-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNc2ccnc(F)c2)c1	190297255	JKJYBGCWRUXCCF-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
CS[C@@H]1CCC[C@@H](NS(=O)(=O)CBr)C1	227979372	VHPQYYVEMRUGGD-HTQZYQBOSA-N	302.259	1.932	50	20	DDGD	
COCCOc1ccc(CC(=O)NNc2ncccn2)cc1	191912676	XSDWAFYNQQKBLQ-UHFFFAOYSA-N	302.334	1.188	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NC[C@@H]1Cc2ccccc2O1	46876426	VDUKRBBEYNFBPE-NSHDSACASA-N	307.350	1.729	50	20	DDGD	
CC(=O)N1CCC[C@@H]1C(=O)NNc1ncc(Cl)cc1Cl	133007755	ORJKBWDFZUTCFZ-SNVBAGLBSA-N	317.176	1.842	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1ccc(Cl)cc1F	194900862	OXQHCDNPQZALSP-UHFFFAOYSA-N	301.705	1.166	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@H](Cc1ccccc1)C(C)C	191157040	GHAXVKBZKPKWJT-HNNXBMFYSA-N	321.421	1.868	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C[C@H]2C=CCC2)cc1	140947456	JODKLAUZFIPZPH-LBPRGKRZSA-N	303.362	1.611	50	20	DDGD	
CCn1c(NNC(=O)C2(N)CCCC2)nc2ccccc2c1=O	236992012	HILPWXRPOGESSZ-UHFFFAOYSA-N	315.377	1.131	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)COc2ccccc2O)c1	92455224	OCRMNLJIMLBAJK-UHFFFAOYSA-N	318.720	1.834	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2=Cc3cc(F)ccc3OC2)[nH]n1	90442268	GFSSMUFHNGOKJN-UHFFFAOYSA-N	316.292	1.094	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)CNc2ccccc2)c1C1CC1	264345523	XQDZSDCZLLYJDT-UHFFFAOYSA-N	313.361	1.171	50	20	DDGD	
Cn1ncc2c1C[C@H](C(=O)NNc1ccc([N+](=O)[O-])cc1)CC2	366956948	XVEKGCTUFCWUNR-SNVBAGLBSA-N	315.333	1.577	50	20	DDGD	
COCCOc1ccc(NC(=O)NNC(=O)CC(C)(C)C)cn1	264094561	QNFQEAQCDGSOMI-UHFFFAOYSA-N	324.381	1.696	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2ccc(Cl)nc2)CN1C1CC1	267873691	MISZWDHNWRRZIC-MWLCHTKSSA-N	309.801	1.986	50	20	DDGD	
Cn1cc(-c2n[nH]cc2C(=O)NNC(=O)CC2CCCC2)cn1	275519830	ZCFWCZVZVWQXDE-UHFFFAOYSA-N	316.365	1.152	50	20	DDGD	
CCc1nn(C)cc1NC(=O)NNC(=O)c1ccc(C)s1	273387714	IZSHBYUPCZROBE-UHFFFAOYSA-N	307.379	1.819	50	20	DDGD	
O=S(=O)(CBr)N[C@@H]1CCc2c(O)cccc21	272828029	QJFHCVPXONHPRJ-SECBINFHSA-N	306.181	1.651	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCN(c2ncccc2F)CC1	270670066	QZHSASGLJYWRLY-UHFFFAOYSA-N	323.372	1.130	50	20	DDGD	
C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CC=C(C#N)CC1	272665578	PKXOQKKMVWSAJA-JTQLQIEISA-N	311.345	1.339	50	20	DDGD	
CCOc1cc(NC(=O)NNC(=O)c2cc(C)n[nH]2)ccc1C	273433875	WJEBVQLEFVEIKD-UHFFFAOYSA-N	317.349	1.892	50	20	DDGD	
C[C@](O)(CC(=O)NNc1ccc(C(F)(F)F)nn1)C1CC1	270236785	PFUFEDGNPRSIIQ-NSHDSACASA-N	304.272	1.490	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	370455021	MCYGMHQCKICXBG-ZNSHCXBVSA-N	301.268	1.303	50	20	DDGD	
COC(OC)c1ccc(C(=O)NNC(=O)c2ccc(C)o2)o1	287855883	RHYVKLFJAMEDQM-UHFFFAOYSA-N	308.290	1.547	50	20	DDGD	
Cc1c(NNC(=O)COCc2ccnn2C)cccc1[N+](=O)[O-]	284549628	BJEPPHPVQMBJCT-UHFFFAOYSA-N	319.321	1.297	50	20	DDGD	
Cc1cc(C(F)(F)F)nn1CC(=O)NNc1ncccn1	289407378	GMTQALVFBATCRM-UHFFFAOYSA-N	300.244	1.144	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)n(C)n1	802121395	BMAZFZQFGPZXIA-UHFFFAOYSA-N	316.365	1.261	50	20	DDGD	
CCCCCOCC(=O)NNC(=O)CNc1ccc(OC)cc1	299377332	LDSSCMHROQCWJF-UHFFFAOYSA-N	323.393	1.461	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cccn2C)[nH]c2c1C(=O)CCC2	299447760	MQPAXAMZDAITPC-UHFFFAOYSA-N	314.345	1.255	50	20	DDGD	
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NNc1ncncc1F	293046993	OZFZORACUQQVGS-MNOVXSKESA-N	310.377	1.362	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C[C@@H]2CCCOC2)cc1	802054796	QVBFKTRRIRQOOM-NSHDSACASA-N	307.350	1.665	50	20	DDGD	
Cc1cc(F)cc2c(O)c(C(=O)NNC(=O)CC3CC3)cnc12	294161890	NDKSXHUAMLOGDA-UHFFFAOYSA-N	317.320	1.949	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H](F)C(F)(F)F	290085954	VMMZDDUMTMMEKW-NSHDSACASA-N	322.258	1.676	50	20	DDGD	
CN1C(=O)C[C@@H](C(=O)NCC(Cl)Cl)[C@@H]1c1cccnc1	297160269	SJJXAURLZQLIPX-SKDRFNHKSA-N	316.188	1.521	50	20	DDGD	
CC(C)(C(=O)NNC(=O)Cc1cn2ccccc2n1)C1CC1	806988290	NQLQDYULYBBGRQ-UHFFFAOYSA-N	300.362	1.460	50	20	DDGD	
C[C@H](CBr)CN1CC[C@H](C(=O)N2CCCC2)C1	805810194	ARHXEPVIXQMFIG-NEPJUHHUSA-N	303.244	1.962	50	20	DDGD	
COCc1nc(CNC(=O)NNc2cccc(OC)n2)cs1	291326876	VVIKPAZPAHOPGC-UHFFFAOYSA-N	323.378	1.519	50	20	DDGD	
O=C(NNc1ncncc1F)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2	293012734	LZLCNOMVUGYSDH-WCQGTBRESA-N	321.356	1.590	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)c1	800687696	FNDFFAGPLISVEL-ZIBATOQPSA-N	321.377	1.068	50	20	DDGD	
CC(=O)CCC(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1	800491307	VYMQCRYPIWREQM-UHFFFAOYSA-N	320.353	1.099	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)/C=C/c1ccccc1	808045940	SPDYTOBCNIXHHN-VAWYXSNFSA-N	306.362	1.636	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H](C)Oc2cccc(F)c2)O1	294119973	FQWQFEWKKABQLT-KWBADKCTSA-N	310.325	1.308	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNc1ccccc1C(=O)OC	809750345	YOXQYTBTVUIMKH-SNVBAGLBSA-N	308.334	1.506	50	20	DDGD	
COCCc1ccnc(NC(=O)NNC(=O)c2ccccc2)c1	806658716	YDSIVDYUWQWSHD-UHFFFAOYSA-N	314.345	1.737	50	20	DDGD	
O=C(CCc1ccncc1)NNc1ccc2c(=O)[nH]ccc2c1	803432205	NDUJMZXHPGRLOU-UHFFFAOYSA-N	308.341	1.999	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)[C@@H]1CCCO1)c1ccc(F)cc1	292069489	XBLGDDJSORCHAY-GWCFXTLKSA-N	309.341	1.439	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNC(=O)Cc1ccc(F)cc1	809981304	GOZWVZLUMOWHBE-UHFFFAOYSA-N	310.328	1.740	50	20	DDGD	
CC[C@@H]1CC[C@H](C)N1CC(=O)NNC(=O)c1ccc(F)cc1	299623378	JOBGIWCPXIFWBX-SMDDNHRTSA-N	307.369	1.850	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12	294060179	GJPBGZOYOQAFTN-UHFFFAOYSA-N	303.278	1.032	50	20	DDGD	
CO[C@@](C)(C(=O)NNc1nc(-c2ccncc2)no1)C1CC1	291789230	XNZINIVIDBYXTN-CQSZACIVSA-N	303.322	1.390	50	20	DDGD	
CCNC(=O)c1ccc(NC(=O)NNc2ncncc2F)cc1	814602183	VPHSBTOUXRBHHD-UHFFFAOYSA-N	318.312	1.514	50	20	DDGD	
CN1CCN(Cc2ccc(C(=O)NN(C)C3CC3)cc2)CC1	819647999	UWPJUHFJCHPRMJ-UHFFFAOYSA-N	302.422	1.173	50	20	DDGD	
O=C(CCc1cccc([N+](=O)[O-])c1)NNc1ncncc1F	817081276	YMQAXSLXJHXEOD-UHFFFAOYSA-N	305.269	1.600	50	20	DDGD	
CN(C)C(=O)c1ccc(NC(=O)NNc2ncncc2F)cc1	814500354	GQVFIJKDOHYXGK-UHFFFAOYSA-N	318.312	1.466	50	20	DDGD	
N#CSCCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	816539737	RDJSUNCVNDNMGP-UHFFFAOYSA-N	323.330	1.700	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)COc1ccccc1F	812445785	ZMIGKNNDLJHKFP-WDEREUQCSA-N	312.341	1.271	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CC[C@H](C(=O)O)[C@@H](C)C1	814864405	CMKIWFVMBRCSTF-UMNHJUIQSA-N	300.355	1.031	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1cc(F)c(N)c(F)c1	814911686	BKHHBYMKPSRJPO-UHFFFAOYSA-N	311.336	1.228	50	20	DDGD	
C[C@@H](NC(=O)C(C)(C)C)C(=O)NNc1nc2ccccc2n1C	816579480	RNJIGMBVPZFQAO-SNVBAGLBSA-N	317.393	1.567	50	20	DDGD	
Cn1nc(C(=O)NNc2cccc(Cl)n2)cc1OC(F)F	817006727	WIVDVQSWUKOPJF-UHFFFAOYSA-N	317.683	1.827	50	20	DDGD	
C[C@@H](C(=O)NNc1ncncc1F)N1CCc2ccccc21	817080498	QYYQAKADDFMIHO-JTQLQIEISA-N	301.325	1.510	50	20	DDGD	
C[C@](O)(C(=O)NNc1ccnc(Br)c1)C1CCC1	813521593	YOTJEAVGGDPPAT-GFCCVEGCSA-N	314.183	1.838	50	20	DDGD	
CO[C@@H]1CCC[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)C1	814362055	OBOQHZPBODXZML-CMPLNLGQSA-N	320.345	1.382	50	20	DDGD	
CN(NC(=O)c1ccccc1CSc1nc[nH]n1)C1CC1	819648289	ZPRBZUQKDRSDGQ-UHFFFAOYSA-N	303.391	1.836	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)NOC/C=C/Cl	811871060	OQZZZDSRZZILCM-XBXARRHUSA-N	313.741	1.470	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@@]1(C)CCCNC1	818571218	AWFVVJZJIXMUEB-HNNXBMFYSA-N	312.845	1.858	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2cccc(Cl)n2)c(O)n1	815727523	BNLPNKRSWAFVGW-UHFFFAOYSA-N	321.724	1.226	50	20	DDGD	
CC1(c2ccccc2)CC(=NNC(=O)[C@H]2CCS(=O)(=O)C2)C1	729635273	LEPBXNSCEUTPMH-HKALDPMFSA-N	320.414	1.645	50	20	DDGD	
O=C(CNC(=O)c1ccc(O)cc1)NNc1cccc(Cl)c1	727484927	AKLGPCSMTLVCCC-UHFFFAOYSA-N	319.748	1.919	50	20	DDGD	
COc1cc(OC)c(C(C)=NNC(=O)CN(C)C)cc1Cl	727649955	RNCPEIDSCSRGFB-UHFFFAOYSA-N	313.785	1.759	50	20	DDGD	
CCc1ncc(C(=O)NNc2nc(-c3cccnc3)no2)s1	728075146	YTWYBOXYLGOJJQ-UHFFFAOYSA-N	316.346	1.907	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CC(C)(C)Oc2ccsc21	814776973	MIBLEVZJBVEDDM-UHFFFAOYSA-N	309.391	1.654	50	20	DDGD	
NC(=O)N1CCC(=NNC(=O)Cc2ccc(Cl)cc2)CC1	812439141	VIGABAZEHFWHBF-UHFFFAOYSA-N	308.769	1.529	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)Cc2cccnc2)cc1F	728850066	HPLQQIYLFYVFGM-UHFFFAOYSA-N	316.336	1.290	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@](C)(OC)C1CC1	822731186	HUSVYHDQMINDIV-HNNXBMFYSA-N	310.325	1.871	50	20	DDGD	
C[C@H]1C[C@H]1C=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	820667926	OVQGRTRDGCSPKA-ONGXEEELSA-N	300.322	1.004	50	20	DDGD	
O=C(COC1CCCCC1)NNc1ccc(-c2nn[nH]n2)cc1	826416969	YGAGEBHOSYBYNM-UHFFFAOYSA-N	316.365	1.659	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H]2CCN2C2CCCC2)n1	823694220	ABLAFHOKGYAZBE-LLVKDONJSA-N	309.801	1.898	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCC2(C#N)CCC2)cc(C#N)n1C	490979938	ZIZDNDAZTAAGRS-MKMNVTDBSA-N	307.357	1.922	50	20	DDGD	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)NN(C)[C@@H](C)CO	823922168	IIGDLGDCKKPOJT-NSHDSACASA-N	318.373	1.830	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@](C)(CC)CNC(=O)OC(C)(C)C	493783217	VYGFTMZMLWLTSJ-AWEZNQCLSA-N	316.402	1.278	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)CC2(O)CCC2)c1C	822205212	OTVDDHCXWTWBSB-ZDUSSCGKSA-N	320.389	1.523	50	20	DDGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)OC(C)(C)C	491173488	CUVCGDZRHPZIJU-BWODNOAJSA-N	318.377	1.564	50	20	DDGD	
CC(=NNC(=O)c1c[nH]nc1C)c1ccc(-c2nn[nH]n2)s1	823948568	SJHUEHFTMOBULT-UHFFFAOYSA-N	316.350	1.114	50	20	DDGD	
CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)NN(CC)CCO	823855755	FISQFIXOVOAFDP-OAHLLOKOSA-N	317.430	1.415	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@@H]1C[C@@]12CCc1ccccc12	584910928	FFUNSRYKFYFDLF-FUHWJXTLSA-N	307.158	1.209	50	20	DDGD	
CC[C@@H](Oc1ccccc1Cl)C(=O)NN(C)[C@H](C)CO	823946074	DRQLGFNNAZCXRM-ZYHUDNBSSA-N	300.786	1.841	50	20	DDGD	
COC(=O)NNC(=O)Nc1c(SC)cnn1-c1ccccc1	493497560	JQLUVQRDHDEMQX-UHFFFAOYSA-N	321.362	1.987	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCc1ccc(Br)cc1	823951028	HHOKTCFFHLQNAA-JTQLQIEISA-N	315.211	1.726	50	20	DDGD	
CCS(=O)(=O)C[C@H](C)NC(=O)[C@@]1(C)C[C@H]1Br	906690437	GFSKKLATTAQKEO-XKSSXDPKSA-N	312.229	1.099	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1ccc(C(=O)O)cc1F	821451627	CXQSODSFFQQLIN-UHFFFAOYSA-N	317.276	1.990	50	20	DDGD	
CCNC(=O)NNC(=O)CCOc1ccc(Cl)c(F)c1	823798918	IXCFTQLGDHEJBQ-UHFFFAOYSA-N	303.721	1.598	50	20	DDGD	
CCN(CCO)NC(=O)[C@](C)(O)CSc1cccc(F)c1	823884588	APEGLEPYVRLLIX-CQSZACIVSA-N	316.398	1.014	50	20	DDGD	
CC[C@@H](NCc1ccccc1B(O)O)c1ccc(F)cc1F	585029428	RFXLCDVXQKFHRU-MRXNPFEDSA-N	305.133	1.886	50	20	DDGD	
COC(=O)NN=C(C)c1ccc(S(C)(=O)=O)c(OC)c1	497208469	KQCXFTYLRKJPKP-UHFFFAOYSA-N	300.336	1.179	50	20	DDGD	
CCN(CCO)NC(=O)c1cnn(-c2ccc(F)cc2F)c1C	823847011	QBMMJQOYBBBWRD-UHFFFAOYSA-N	324.331	1.418	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12	825771439	YAFWPCVGDCPMAW-QMVGNSNGSA-N	321.421	1.567	50	20	DDGD	
COC(=O)N(C)NC(=O)Cc1ccn(-c2ccc(F)cc2)n1	495760078	GCIYVYYIUQTRMD-UHFFFAOYSA-N	306.297	1.283	50	20	DDGD	
CCNC(=O)NNC(=O)CCCc1ccc(OC)c(OC)c1	900386522	ZCQKYOOZIKSERG-UHFFFAOYSA-N	309.366	1.377	50	20	DDGD	
O=C(O)NCCCC(=O)NNc1nc(-c2ccccc2)no1	739956771	KNXSJNVPOQFZGQ-UHFFFAOYSA-N	305.294	1.228	50	20	DDGD	
CCc1c(NCc2ccc(B(O)O)o2)cnn1C(CC)CC	585037659	GHYAVJSQBRJUBW-UHFFFAOYSA-N	305.187	1.692	50	20	DDGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2cocn2)c1C	734259562	LDRMURITDZXNLD-UHFFFAOYSA-N	310.317	1.900	50	20	DDGD	
CCOC(=O)c1ccc(NC(=S)NNC(=O)C2CCC2)cc1	731944828	POCMMNOAKDBKLZ-UHFFFAOYSA-N	321.402	1.981	50	20	DDGD	
N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)N=c1cc[nH]cc1	490814128	UBCSTTLHWAPKBX-UKTHLTGXSA-N	323.308	1.513	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@@H]1CCCC(=O)N1C	907233303	KAABKARRUMYFJR-AWEZNQCLSA-N	312.373	1.997	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)NCCOC1CCCCC1	837781177	SHFUDXQAPQCCFC-UHFFFAOYSA-N	321.381	1.189	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NC[C@H]1CC[C@H](C)O1	838741981	DPODGKKONIDKGC-GXTWGEPZSA-N	305.378	1.435	50	20	DDGD	
CC(C)(C)CC(=O)NN=C1CCN(CCN2CCOCC2)CC1	731558215	MUCKIZWRQIZVCI-UHFFFAOYSA-N	324.469	1.323	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cc(F)cc(OC)c1	834963397	VDRWBEWGIMUTSV-UHFFFAOYSA-N	309.341	1.589	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1	731282846	XYGLKADKGCDKEZ-ZFWWWQNUSA-N	321.377	1.274	50	20	DDGD	
C=CC(=O)N(CC)CC(=O)NNc1ccc(Cl)c(OC)c1	907840457	IFVSNTSTZCHDRJ-UHFFFAOYSA-N	311.769	1.826	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NCCC(C)(C)C1CC1	838624872	FHJCLWOMYZIDBW-LLVKDONJSA-N	315.414	1.195	50	20	DDGD	
CCCCC[C@H](O)C(=O)NNc1ccc(F)c(C(=O)OC)c1	837037669	JPPANQHMSKABIA-ZDUSSCGKSA-N	312.341	1.997	50	20	DDGD	
C[C@@H]1CC[C@@H](NC(=O)NNC(=O)N=c2cc[nH]cc2)C[C@H]1C	838551185	WGXVGLURIPTYFE-NQBHXWOUSA-N	305.382	1.664	50	20	DDGD	
COCCN(C)NC(=O)c1c(C)nn(Cc2ccccc2)c1C	837620477	ADLFGPXLJPGUHD-UHFFFAOYSA-N	316.405	1.771	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NN=C(C)[C@H]2C[C@H]3CC[C@H]2O3)c1	834965352	NQGDSCNTACNIAW-RBSFLKMASA-N	316.361	1.713	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)CCCc1cccnc1	834962563	JFLQEEOPBFFFJR-AWEZNQCLSA-N	307.394	1.948	50	20	DDGD	
COCCN(C)NC(=O)c1nnn(-c2cccc(C)c2)c1C	837622342	RXNUGWWFGMTGBQ-UHFFFAOYSA-N	303.366	1.107	50	20	DDGD	
CC(CS(=O)(=O)c1ccc(C)cc1)=NNC(=O)c1ccc[nH]1	734296756	NYIOGGCELUENNU-UHFFFAOYSA-N	319.386	1.903	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@@H](C)Cc1cnn(C)c1	837474274	LHTRWBLHHPLKLG-ZDUSSCGKSA-N	314.389	1.297	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1CC[C@H](c2ccccc2F)C1	585038998	LXJHLQPEPHWPGQ-DZGCQCFKSA-N	313.181	1.931	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NN=Cc2ncc[nH]2)cc1	731151051	LICAYFKVKPYWCU-LLVKDONJSA-N	302.334	1.726	50	20	DDGD	
C[C@H](NC(=O)c1cc(B(O)O)ccc1F)[C@@H]1CCC[C@@H](C)C1	584999082	IOAWZTKIGUGCRR-GRYCIOLGSA-N	307.174	1.450	50	20	DDGD	
CC[C@H](C)c1nc(C)c(CC(=O)NN(C)C[C@@H](C)O)c(C)n1	910140512	IQZSPBJDBDSFTQ-WDEREUQCSA-N	308.426	1.493	50	20	DDGD	
Cc1ccc(C)c(C=NNC(=O)[C@@H](C)CN2CCOCC2)c1	916364134	DHLSTXIHROSNOZ-HNNXBMFYSA-N	303.406	1.722	50	20	DDGD	
CCCC[C@](C)(F)C(=O)NNC(=O)CNC(=O)OC(C)(C)C	831794798	SJNHKGWUXVYJQV-AWEZNQCLSA-N	319.377	1.577	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@H](O)c1ccccc1C(F)(F)F	910183100	KZQOZNYXJAARQG-KCJUWKMLSA-N	306.284	1.083	50	20	DDGD	
COc1cc(C(=O)NN=Cc2ccn(C)c2)cc(OC)c1OC	749854126	ZOZCYLBXGYJHJK-UHFFFAOYSA-N	317.345	1.815	50	20	DDGD	
CCC/C=C\C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	744771552	QWUUSGOGFBKYPV-UITAMQMPSA-N	304.346	1.656	50	20	DDGD	
NC(=O)COc1ccc(C(=O)NNc2ccc(Cl)nc2)cc1	743817024	PKNUPJYRFPHZCU-UHFFFAOYSA-N	320.736	1.356	50	20	DDGD	
CC(=NNC(=O)c1cc(Br)c[nH]1)[C@@H]1CCOC1	741758720	GJEOUTAHBXNDTM-MRVPVSSYSA-N	300.156	1.919	50	20	DDGD	
CCCCCCO[C@H](C)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843657997	FKVMUFGYXDQWIV-XQQFMLRXSA-N	300.399	1.544	50	20	DDGD	
CCn1nc(C(=O)NNc2cc(F)c(F)c(F)c2)ccc1=O	746704844	MLBUNLIDWLWVCS-UHFFFAOYSA-N	312.251	1.437	50	20	DDGD	
C#CCCOc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	843660532	LLFDGBAMPMRAGF-DOMZBBRYSA-N	316.357	1.275	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)OCCN2CCCC2=O)c1	918976939	PNOVRKUXRSTMDW-GXDHUFHOSA-N	314.341	1.768	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1ccc2nc(O)[nH]c2c1	748260873	ZFJZRASOVFDPMQ-JTQLQIEISA-N	320.349	1.160	50	20	DDGD	
O=C(CCCN1C(=O)CNC1=O)NNc1cccc(Cl)c1	914755607	PILINQBOAFJZDP-UHFFFAOYSA-N	310.741	1.115	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@]2(C)CCOC2)c1	843869933	IKZCVKOPDPLSCQ-OAHLLOKOSA-N	306.366	1.650	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)C(=O)c1ccccc1	843979925	QRVZXWDEXFEJGT-BZPMIXESSA-N	318.373	1.468	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=S)NCC2CC2)cc1OC	849252827	KEFVCQSDUOYRIP-UHFFFAOYSA-N	323.418	1.613	50	20	DDGD	
Cc1ccc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)nc1C	840598450	FZZWKJVQHFOKPZ-LBPRGKRZSA-N	321.377	1.437	50	20	DDGD	
CNCCNC(=O)NNc1ccc(C#N)cc1C(F)(F)F	841936820	QSDYHGRVYBZCKE-UHFFFAOYSA-N	301.272	1.423	50	20	DDGD	
COC(=O)[C@H](Cc1ccc(F)cc1)NNC(=O)[C@H]1CCCCO1	842151627	VAKDOMFCPPUPDE-UONOGXRCSA-N	324.352	1.100	50	20	DDGD	
COC(=O)c1ccc(CNS(=O)(=O)CCCCCl)nc1	848461267	RHZINZRBZAYSAE-UHFFFAOYSA-N	320.798	1.307	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2ccc3c(c2)OCCO3)c2ncnn21	841616224	LQECEVVITRPTCK-SECBINFHSA-N	313.317	1.148	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNc1ncnc2ccsc12	845830994	VIFAEEDNPPALOR-UHFFFAOYSA-N	307.379	1.297	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)c2cccnc2)c1OC	916968715	DZMQDRGHHBKQNW-UHFFFAOYSA-N	316.317	1.565	50	20	DDGD	
Cc1c(NNC(=O)[C@H]2CCn3ccnc3C2)cccc1[N+](=O)[O-]	749289302	OMZYSIHHNCZHHM-NSHDSACASA-N	315.333	1.805	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cc(N)ccc1F	841125616	RQSHRKYORSYGOT-UHFFFAOYSA-N	303.384	1.474	50	20	DDGD	
CCOC(=O)NN=C(C)c1ccc(O)c(CN2CCOCC2)c1	916267808	HTGJDGFKWYQGDY-UHFFFAOYSA-N	321.377	1.695	50	20	DDGD	
C#CCOc1ccccc1C=NNC(=O)C(=O)NC(CC)CC	740762323	LGJCHSRRTHOOFQ-UHFFFAOYSA-N	315.373	1.454	50	20	DDGD	
C=CCOC(=O)/C(C#N)=C\c1ccc(OCC(=O)O)c(OC)c1	915856532	PAAGOWDWGOTZLD-GHXNOFRVSA-N	317.297	1.795	50	20	DDGD	
CCOc1ccc(C=NNC(=O)[C@H]2CCO[C@H]2C)cc1OC	842553578	IDQXSXLFZVBYJS-AAEUAGOBSA-N	306.362	1.969	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@H](OC)c1cnn(C)c1	846641700	MCJAQPWACOUQQI-CYBMUJFWSA-N	308.313	1.399	50	20	DDGD	
CCC(CC)n1nc(C)cc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843661951	OWIHWYSPAZEYHP-AAEUAGOBSA-N	322.409	1.739	50	20	DDGD	
COc1nc2sccn2c1C=NNC(=O)[C@@H]1CCO[C@H]1C	842560741	YXMOWKSOBQSFGZ-DTWKUNHWSA-N	308.363	1.280	50	20	DDGD	
CCCNC(=O)NN=C(C)c1ccc(NS(C)(=O)=O)cc1	747049390	OUDLFJZGYAETKY-UHFFFAOYSA-N	312.395	1.491	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NCC[C@@H]2CCNC2)ccc1F	841936046	OKWATJVXEMCGBN-JTQLQIEISA-N	324.356	1.238	50	20	DDGD	
O=C(NNC(=O)C1CC(c2ccc(F)cc2)C1)c1ncccn1	841352025	FNFIEHFEFWORBW-UHFFFAOYSA-N	314.320	1.571	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1c(Br)cnn1C	842558605	HAGAFTVMQIWAAL-JGVFFNPUSA-N	315.171	1.058	50	20	DDGD	
O=C(NCC1CCNCC1)NNC(=O)c1cc2ccccc2o1	841923843	HCMORBNZZMWHNK-UHFFFAOYSA-N	316.361	1.376	50	20	DDGD	
CCc1ccc(C#CC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	843973177	XFEKXSCBJZFLKQ-SWLSCSKDSA-N	300.358	1.173	50	20	DDGD	
N=C(O)OC[C@@H](Cc1ccccc1)NS(=O)(=O)CCl	841562458	YKAKFYQWZALLNP-SNVBAGLBSA-N	306.771	1.223	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)c2ccc3c(c2)OCO3)cn1	920987614	ZYWPJHMRBHKPEW-UHFFFAOYSA-N	300.318	1.786	50	20	DDGD	
O=C(NNc1c(F)cccc1F)N[C@@H]1CCN(CC(F)F)C1	842196213	LWORRLPPUOODBG-MRVPVSSYSA-N	320.290	1.930	50	20	DDGD	
C[C@H]1CC[C@H](CC(=O)OCC(=O)NNC(=O)c2ccccc2)C1	759415878	JGPZMXCPIRCQCU-STQMWFEESA-N	318.373	1.817	50	20	DDGD	
CC(C)(C)CC(=O)NCC(=O)NC[C@@]1(C)C[C@@H]1Br	857401225	KZJRMVVUHCABRN-TVQRCGJNSA-N	319.243	1.829	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)CCc2ccccc2)[C@H]1C	859004430	DHDQJCMGUGKYAF-BCUIYNNISA-N	304.390	1.826	50	20	DDGD	
CC1CCC(O)(CNC(=O)/C(C#N)=C\c2cnn(C)c2)CC1	856473911	DPHZLAPAMWOOJK-AUWJEWJLSA-N	302.378	1.384	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2ccnc(N(C)C)c2)CN1C1CC1	753961600	YULMBHHNAXPXEZ-LLVKDONJSA-N	301.394	1.490	50	20	DDGD	
COc1cccc(C=NNC(=O)CCCNC(=O)C(C)(C)C)n1	853408043	IGEOZTFVEYVCQW-UHFFFAOYSA-N	320.393	1.483	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1	858092752	ZLKMZNPHWSXQFL-LBPRGKRZSA-N	307.306	1.171	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cc(SC)ccc1Cl	850409316	QPDOLMPTFPKTLF-UHFFFAOYSA-N	315.782	1.558	50	20	DDGD	
CNS(=O)(=O)C[C@H]1CCCN1/C(=C\C#N)c1ccccc1	750800660	GXQLWRHWQBLQOC-WJQTUHTMSA-N	305.403	1.565	50	20	DDGD	
Cc1cc(C)c(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1	920381093	OBEJZMBMPRCYSR-ZDUSSCGKSA-N	323.418	1.432	50	20	DDGD	
COCC1(CCNC(=O)NNC(=O)c2cccc(F)n2)CCC1	852357707	MDRUXLIPPWWYEA-UHFFFAOYSA-N	324.356	1.372	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)[C@H]1CCc2ncncc2C1	855462474	WYDLHULEANKXBQ-VIFPVBQESA-N	303.753	1.773	50	20	DDGD	
CCC[C@@H](O)CC(=O)NNc1nc2ccccc2c(=O)n1CC	750147463	WXEYDNRTPXXUHJ-LLVKDONJSA-N	318.377	1.411	50	20	DDGD	
C[C@H]1COC[C@H]1NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	925992775	RZQJGBIDDAHVTM-FYBHJDENSA-N	321.421	1.568	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2ccc(C3CC3)cc2)CC1	854381951	WBKYSDKOUSGIBF-UHFFFAOYSA-N	302.378	1.166	50	20	DDGD	
C[C@@](O)(CNC(=O)NNC(=O)C1CCCC1)c1ccsc1	753355512	QMDUWJLPKKBWLO-CQSZACIVSA-N	311.407	1.476	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2sccc2C)o1	753085119	KNGNUMVDWLZMJV-UHFFFAOYSA-N	300.361	1.581	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@@H]1C[C@H]2CCCCN2C1=O	854128302	DGMOAQWCGYQBED-TZMCWYRMSA-N	320.368	1.914	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)C)n(C2CCOCC2)n1	858523199	NKZWJJWBDDSCDS-UHFFFAOYSA-N	308.382	1.350	50	20	DDGD	
CC(C)c1ncncc1C(=O)NNC(=O)OCC(F)(F)F	856024290	PHTWUKPTUHGYSH-UHFFFAOYSA-N	306.244	1.533	50	20	DDGD	
C[C@@H](c1ccccc1)[C@@H](O)CNS(=O)(=O)CBr	851858985	WGIXJGICRTVDLX-ONGXEEELSA-N	322.224	1.423	50	20	DDGD	
C[C@H](C(=O)NCCCSC#N)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	854363378	YAMLZORUJFUACK-IJLUTSLNSA-N	323.418	1.271	50	20	DDGD	
CCn1nncc1CNC(=O)NC[C@]1(C)C[C@H]1Br	858627529	BGLQCKSFIKRFLG-KOLCDFICSA-N	316.203	1.271	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc(OC)cs1	854282708	RACLNAXNDYXCQN-UHFFFAOYSA-N	317.436	1.244	50	20	DDGD	
CN1CCc2ccc(NC(=O)NNC(=O)c3ccccn3)cc21	757913716	PGGXQADHIMUBDZ-UHFFFAOYSA-N	311.345	1.540	50	20	DDGD	
CC[C@](COC)(NC[C@@H](CBr)C1CC1)C(=O)OC	859328946	LDGNSZFQZWOGPA-DGCLKSJQSA-N	322.243	1.965	50	20	DDGD	
COC(=O)c1cc(NNC(=O)N[C@H]2COC[C@@H]2C)ccc1F	926017611	IGUVFOIISJQHHM-UFBFGSQYSA-N	311.313	1.273	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CC[C@H]2CCOC2)cc1OC	751211157	NLRYUUXMGNCSNI-NSHDSACASA-N	322.361	1.282	50	20	DDGD	
N#CSCCCNC(=O)c1cc(Br)cnc1O	857243360	GENCUJCFUUCDJR-UHFFFAOYSA-N	316.180	1.884	50	20	DDGD	
Cc1cnc2cc(C(=O)NNC(=S)N[C@@H](C)C3CC3)ccn12	855094893	HDMDCYKUYJBHDX-JTQLQIEISA-N	317.418	1.550	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(F)cc1C	853387698	JTIOFICTLDUDJS-ZBFHGGJFSA-N	319.380	1.838	50	20	DDGD	
CC(C)OC1CC(=NNC(=O)CCCNC(=O)C(C)(C)C)C1	853408255	OCCAIZJDCMFDOJ-UHFFFAOYSA-N	311.426	1.989	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1)c1nccn1C	755588147	NWZPBVNPELAYGI-RWMBFGLXSA-N	321.425	1.006	50	20	DDGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)c1cnco1	758068161	MLXOEOWSSQGFCI-UHFFFAOYSA-N	311.750	1.881	50	20	DDGD	
COc1ccccc1C(=O)NN=Cc1cnc(N(C)C)s1	755707610	VUBTVTOJYSGAEL-UHFFFAOYSA-N	304.375	1.982	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)C[C@@H]1CCS(=O)(=O)C1	855365425	LKHPDJZHKNQHGQ-JTQLQIEISA-N	300.355	1.402	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1c2ccccc2C[C@H]1C	751134219	KPIWIYLHKAARFW-KGLIPLIRSA-N	315.417	1.667	50	20	DDGD	
C[C@H](C(=O)NC[C@]1(C)C[C@@H]1Br)[C@@H]1CCC(=O)N1	862259106	YKNPJHNSUFWMDZ-PEFMBERDSA-N	303.200	1.191	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CCc2ccccc2F)n[nH]1	869012889	FZHGFANZNHZBSR-UHFFFAOYSA-N	304.325	1.180	50	20	DDGD	
CC(C)[C@@H]1CCCCC1=NNC(=O)[C@@H](C)NS(C)(=O)=O	764687601	SMURJUWJNPDMEN-MNOVXSKESA-N	303.428	1.243	50	20	DDGD	
COc1cc(O)c(C=NNC(=O)Cc2cc(C)[nH]n2)cc1OC	768354700	JLNNQUZOHGMFKO-UHFFFAOYSA-N	318.333	1.134	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2cc3c(s2)CCC3)[nH]n1	861382294	UCCOWEPFZSZKTI-UHFFFAOYSA-N	321.362	1.435	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cc(CN(C)C)ccn1	932168237	VQMJCRSCUCFNCL-UHFFFAOYSA-N	303.366	1.099	50	20	DDGD	
CCCc1nnc(S)n1CC(=O)NN[C@H](C)C(F)(F)F	862308955	JWPSOAADYNHZSA-ZCFIWIBFSA-N	311.333	1.091	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2c(C(C)C)nn(C)c2Cl)n[nH]1	764796936	LYMQSEBYZFGCJG-UHFFFAOYSA-N	308.773	1.992	50	20	DDGD	
COc1cc(Cl)ccc1C(C)=NNC(=O)[C@H]1CCC(=O)N1	863151208	IHMGUEPSONPYPV-LLVKDONJSA-N	309.753	1.467	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc2nnc(O)n2c1	763091032	IKNHWPJKOCUDIQ-UHFFFAOYSA-N	314.261	1.100	50	20	DDGD	
CCNC(=O)NC(=O)COC(=O)[C@H](Br)C(C)(C)C	766749741	OOSJHLQMEKMZKC-QMMMGPOBSA-N	323.187	1.185	50	20	DDGD	
CCCn1cc(C(=O)NNc2ccc(C(C)(C)C)nn2)nn1	1116433103	OBWZRTNQQSZXSY-UHFFFAOYSA-N	303.370	1.533	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)[C@H]2CCSC2)nc2ccccc21	761794881	SMEUEFPNWNUCKP-JTQLQIEISA-N	318.402	1.016	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cnc3ccccc3c2C)n[nH]1	765588327	WPZQBECFCMILEH-UHFFFAOYSA-N	309.329	1.650	50	20	DDGD	
O=C(CCn1ccnc1)NNc1ccnc(Br)c1	771537495	MZRXIPDTFNXTBV-UHFFFAOYSA-N	310.155	1.574	50	20	DDGD	
COC[C@H](C)n1ccc(NC(=O)NNC(=O)C2CCCC2)n1	779930863	WXSWJROVEHGLMV-JTQLQIEISA-N	309.370	1.433	50	20	DDGD	
O=C(C[C@@H]1CCCC(=O)N1)NNC(=O)c1ccccc1Cl	1117611000	ONJPDQNJGBSOHB-VIFPVBQESA-N	309.753	1.160	50	20	DDGD	
COCCOCC(=O)NN=C1CCN(Cc2ccccc2)[C@@H]1C	872400746	PYQMAUPZXPMMQL-CQSZACIVSA-N	319.405	1.416	50	20	DDGD	
CCOc1cccc(C(=O)O[C@H](C)C(=O)NNC(=O)CC)c1	772038239	UIAMHEQWALTNLX-SNVBAGLBSA-N	308.334	1.188	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cccc(S(=O)(=O)C(C)C)c1	770207196	DIKQAJPKKYODPU-UHFFFAOYSA-N	312.391	1.286	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H](C)NC(=O)C(C)(C)C	777773205	VGOBELOYYXPNPG-JTQLQIEISA-N	321.377	1.467	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNc2nc(O)c3ccccc3n2)o1	774020386	AMNCGXPPYCSUBE-UHFFFAOYSA-N	312.285	1.888	50	20	DDGD	
Cc1c(C=NNC(=O)N2CCN(C)CC2)cccc1[N+](=O)[O-]	872368477	KFPNZPZZKOHODP-UHFFFAOYSA-N	305.338	1.194	50	20	DDGD	
CC[C@H](C)C(=O)NN=C1C(=O)Nc2c(F)cc([N+](=O)[O-])cc21	774372244	CIHDQKVMARLRSL-LURJTMIESA-N	308.269	1.552	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2nn(C)cc2C)c1	873756957	UUCGAWKWMCSOIQ-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
Cc1ccc([C@@H](C)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)o1	772167266	VXHDTMZWHRPQGD-NEPJUHHUSA-N	324.377	1.817	50	20	DDGD	
O=C(NC[C@H]1COC2(CCCC2)O1)NNC(=O)C1CCCC1	774315664	PYOZSMOBBRUSOF-LBPRGKRZSA-N	311.382	1.193	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@H](CC)c1ccccc1OC	775075965	HWBGENDZNQOHJS-WCQYABFASA-N	307.394	1.682	50	20	DDGD	
O=C(NCCCc1ccccc1F)NNC(=O)C1CCOCC1	883620048	XLPFBRPAFJCTBX-UHFFFAOYSA-N	323.368	1.515	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1coc(C2CC2)n1	777274851	MWUHNRDSBVBTJM-UHFFFAOYSA-N	321.358	1.712	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(F)cc(F)c1	771933389	GQGHIXFGOKXQJS-ZETCQYMHSA-N	300.261	1.068	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCc2ccccc21)C1CCOCC1	883060894	APOSSPJYXUAVQO-OAHLLOKOSA-N	302.374	1.681	50	20	DDGD	
CC[C@@H](CO)C(=O)NNC(=O)c1cccc(OC(F)F)c1	779764149	GGEBYCUFBTWFLK-QMMMGPOBSA-N	302.277	1.068	50	20	DDGD	
Cn1ccnc(NNC(=O)Nc2ccc(F)c(Cl)c2)c1=O	775395607	AHSQZXKWWMVXKX-UHFFFAOYSA-N	311.704	1.721	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@H]1CC[C@H](C)C1	776337207	XQPAFQVZLJQPCT-NWDGAFQWSA-N	306.362	1.658	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1nn(-c2cccc(F)c2)cc1O	785691290	RJZAPCOMKCHNCM-UHFFFAOYSA-N	306.297	1.134	50	20	DDGD	
Cc1ccccc1C(=O)NN[C@H](Cc1ccc(F)cc1)C(N)=O	784061804	UHDAHOCBDVJSGB-OAHLLOKOSA-N	315.348	1.465	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(F)c1	783513582	CKJNLPMGDMLXQO-LLVKDONJSA-N	312.366	1.491	50	20	DDGD	
O=C(NC[C@@H]1C=CCC1)NNC(=O)[C@H]1COc2ccccc2O1	883778800	IQJMCOMNYVIPSQ-BXUZGUMPSA-N	317.345	1.123	50	20	DDGD	
CC(C)COc1ncccc1C(=O)NNC(=O)C1CCOCC1	883062518	GXPFOOKHODMBLE-UHFFFAOYSA-N	321.377	1.304	50	20	DDGD	
O=C(NNC(=O)[C@H](F)CC1CCCCC1)C1CCOCC1	883069561	NJFOHLUUCHZDQO-CYBMUJFWSA-N	300.374	1.869	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2[C@H](C)O[C@H](C)[C@@H]2C)cc1O	882051421	LMZHXLJZHXJSRH-MIJXAVMKSA-N	306.362	1.521	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1ccc(N2CCCC2)nc1	781836896	RFCQAQKZDKCLNG-UHFFFAOYSA-N	318.768	1.882	50	20	DDGD	
O=C(NNc1ccc(F)cc1Cl)[C@H]1CCCS1(=O)=O	885138672	GUJNFUZFTSVASL-SNVBAGLBSA-N	306.746	1.499	50	20	DDGD	
CC(C)NC(=O)CN(C)C(=O)[C@@H](Br)C(C)(C)C	781070448	LNPHZPVDBRQTHS-SNVBAGLBSA-N	307.232	1.779	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@]12CCCc1ccccc12)c1cccnn1	882057690	GRXNVZQJWNMCHC-KSSFIOAISA-N	322.368	1.532	50	20	DDGD	
Cc1cccc2c1CC[C@@H]2NC(=O)NNC(=O)c1cccnn1	883333989	IXRVDSGMPZSNSG-ZDUSSCGKSA-N	311.345	1.417	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CCC(F)(F)CC1	788709636	SGXFKHRMCQRBLK-LLVKDONJSA-N	322.377	1.739	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@H]1CCC[C@@H]1OC	1120487870	KDFQUEZTABHQMP-JQWIXIFHSA-N	323.418	1.828	50	20	DDGD	
COCCCN(CCO)C(=O)[C@@H](Br)C(C)(C)C	783755685	WDKPZPUJFQJYBZ-SNVBAGLBSA-N	310.232	1.653	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCCCn1cnc2c(N)ncnc21	786670395	QPNMFDRMVIJLFL-WDZFZDKYSA-N	312.333	1.202	50	20	DDGD	
CC[C@@]1(C)Oc2ccc(NC(=O)NNC(=O)COC)cc2O1	785869412	SUWXYOBYNXAAEI-AWEZNQCLSA-N	309.322	1.383	50	20	DDGD	
CC(C)n1cc(NC(=O)C(=O)NNc2ccc(F)cc2)cn1	784786300	OHNZNLDUPNRMHR-UHFFFAOYSA-N	305.313	1.685	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc(O)ccc1C	899993058	QDQIVLKIXFMGRR-UHFFFAOYSA-N	311.407	1.188	50	20	DDGD	
CC(C)=CCCNC(=O)NNc1ccc(-n2cccn2)nn1	790525055	VXRMSDGWWJMHHF-UHFFFAOYSA-N	301.354	1.645	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNC(=O)Nc2ccccc2C)c1	798310081	RMEAPPZMMXAECW-UHFFFAOYSA-N	300.318	1.992	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)c2ccc(O)nn2)cc1OC	790142842	JTZDUHVMACKXFP-UHFFFAOYSA-N	316.317	1.353	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCc2ccccc2F)n1	794072084	JLHXVMPJFPIUMI-UHFFFAOYSA-N	301.321	1.923	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccccc1OCC#N	899992142	OFIXKGHGPIMPLA-UHFFFAOYSA-N	306.391	1.496	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)c1nccn2ccnc12	791162109	GSNRQLRCUCVUSA-UHFFFAOYSA-N	301.281	1.634	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)c1cccc(C)n1)C(=O)N2	794564770	AUQMQYVILSWDFG-UHFFFAOYSA-N	310.313	1.485	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnc(-c2ccccc2)[nH]1	798305131	TXESWUDQXVSXCK-UHFFFAOYSA-N	301.375	1.372	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCOCC(F)(F)F)n1	794075021	JTJYBRDIPHNRKL-UHFFFAOYSA-N	305.256	1.120	50	20	DDGD	
COC(=O)c1occc1C=NNC(=O)COc1ccc(F)cc1	794754886	GXDUXZXIBZBBAY-UHFFFAOYSA-N	320.276	1.734	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)C(C)C)cccc1NC(=O)N(C)C	791910142	GFKJCIVQDJZALU-UHFFFAOYSA-N	321.381	1.897	50	20	DDGD	
CCOC1(C(=O)NNc2nc(-c3cccnc3)no2)CCCC1	796341073	AZSYOGUZFHQLNF-UHFFFAOYSA-N	317.349	1.924	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1ccnn1CC(F)F	790745432	JPUASIWXTMFIBD-UHFFFAOYSA-N	302.672	1.349	50	20	DDGD	
COc1ccc(NNC(=O)CCc2cncn2C)c([N+](=O)[O-])c1	793685508	BHWDZAAOJMSXNB-UHFFFAOYSA-N	319.321	1.413	50	20	DDGD	
C[C@H]1COC(=O)C1=NNC(=O)c1cccc(Br)c1	794911528	HYRPHHQHCGHAPZ-ZETCQYMHSA-N	311.135	1.728	50	20	DDGD	
O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NN=c1cc[nH]cc1	790923495	VEMZTIHPOPVCIN-UHFFFAOYSA-N	324.699	1.890	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1csc([C@H]2CCCO2)n1	1319705533	LUMGEWVPFUVJGQ-SECBINFHSA-N	314.436	1.512	50	20	DDGD	
O=C(CO[C@H]1CCOC1)NNc1ncccc1C(F)(F)F	1319054290	HHSZQTIHWFSVRZ-QMMMGPOBSA-N	305.256	1.349	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2ccc[n+]([O-])c2)c1	1317700552	NLZBKAXJLQFWCL-UHFFFAOYSA-N	302.359	1.260	50	20	DDGD	
CC(C)(C)NCC(=O)NNC(=O)CSc1ccccc1O	1324627562	VWAOUYIQRJYMGM-UHFFFAOYSA-N	311.407	1.020	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F	1322046853	IKTTVPUFONBWKZ-VHSXEESVSA-N	313.373	1.972	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@H](C)OC1CCCCC1	1324765086	UAHYAYMVOMCIOP-JTQLQIEISA-N	319.496	1.583	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)N[C@@H]1C[C@H]2CC[C@@H]1O2	1328679816	QXSLBYQCAOXEPW-FXAINCCUSA-N	309.753	1.604	50	20	DDGD	
NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)CCl)cc2)C1	1253963020	ITBGJTSDPZAJCL-GFCCVEGCSA-N	309.797	1.561	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1c[nH]c(Br)c1	1339605030	OIOCOZUXIWHPES-UHFFFAOYSA-N	322.126	1.200	50	20	DDGD	
NC(=O)N1CCC[C@H](CNC(=O)c2cccc(CCl)c2)C1	1336494087	LYGSBSVBFCJVGB-GFCCVEGCSA-N	309.797	1.946	50	20	DDGD	
CC[C@@H](NNC(=O)c1cncn1-c1ccccc1)C(=O)OC	1339515759	HCKSGHUEQRTLPJ-GFCCVEGCSA-N	302.334	1.058	50	20	DDGD	
O=C(NNc1ncncc1F)[C@@H]1COc2ccc(F)cc2C1	1330459287	KOBYUYYNQYAHNO-VIFPVBQESA-N	306.272	1.449	50	20	DDGD	
CN(C)CCOc1ccc(C=NNC(=O)c2cccnn2)cc1	1262038015	TVUTWUUMJKKCRQ-UHFFFAOYSA-N	313.361	1.181	50	20	DDGD	
C[C@@H]1C[C@@H]1CNC(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1261765891	TXFARXDFHYSZBC-HNBLOZHYSA-N	303.200	1.048	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cccc([S@@](C)=O)c1	1354591824	VEONKCDMEFWTRR-OAQYLSRUSA-N	307.375	1.380	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc(-n2cncn2)cc1	1353990962	UHNGBOGESLQHLP-UHFFFAOYSA-N	302.338	1.466	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)c2ccccc21)C1CCOCC1	1353092149	GFBPLJOSHVHIDM-UHFFFAOYSA-N	322.386	1.111	50	20	DDGD	
C[C@@H]1CN(C(=O)C2CCC(Cl)CC2)CCS(=O)(=O)C1	1528309501	WLADQSTURVVZPL-VOMCLLRMSA-N	307.843	1.677	50	20	DDGD	
C[C@]1(COC(=O)c2coc(C(N)=O)c2)C[C@H]1Br	1526044080	GINUOUHJEIBSTL-LDYMZIIASA-N	302.124	1.709	50	20	DDGD	
O=C(C[C@@H]1OCc2ccccc21)NNc1ccc(C(=O)O)cn1	1608298338	VQYWXELQCFLLLX-ZDUSSCGKSA-N	313.313	1.885	50	20	DDGD	
Nc1cc(C(=O)NNc2ccc(CC(=O)O)cc2)cc(Cl)n1	1601212327	IILJMKCLNXRBOY-UHFFFAOYSA-N	320.736	1.701	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1)c1ccccc1Cl	1601553657	PKWDLYLRVKNRPS-NXEZZACHSA-N	324.764	1.992	50	20	DDGD	
O=C(/C=C/c1cncc(O)c1)NNc1ccc(F)c(C(=O)O)c1	1608288466	LFCZYDMTVILCOZ-DAFODLJHSA-N	317.276	1.781	50	20	DDGD	
Cc1cc(C(=O)N(c2nc(CC(=O)O)cs2)N(C)C)ccn1	1600079017	BUEPVQIXZVXAKG-UHFFFAOYSA-N	320.374	1.597	50	20	DDGD	
O=C(O)[C@H]1C[C@@H](C(=O)NNc2ccnc(C(F)(F)F)c2)C1	1602213943	LDVGGMKNCVPWOE-KNVOCYPGSA-N	303.240	1.654	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1nc(C)cs1	1549684910	KLXSZSNNAASJHM-NWDGAFQWSA-N	308.407	1.155	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC([C@@H]2OCCC[C@H]2N)CC1	1578100450	UVGICXPVXGEBLT-URQVRESPSA-N	307.394	1.175	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C2CC3(C2)C[C@H](N)CCS3)n1	1579590764	RWTRJEYDYFLBER-MQYJIDSJSA-N	321.450	1.540	50	20	DDGD	
N#Cc1ccsc1NC(=O)NNc1ncccc1C(=O)O	1594631302	ACKLLRYGBPFKEY-UHFFFAOYSA-N	303.303	1.862	50	20	DDGD	
CCN(CCNC(=O)NNc1cccc(C(=O)O)c1)C(C)C	1596334252	BBLMBTBENMMIAW-UHFFFAOYSA-N	308.382	1.741	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNc1ccc(C(=O)O)cc1OC	1596423457	ACLVPHODSXZARX-ZDUSSCGKSA-N	321.377	1.711	50	20	DDGD	
Cc1cccc(NNC(=O)CCc2ccc(-c3nn[nH]n3)cc2)n1	1592235136	BOVGTMJSOOXTHH-UHFFFAOYSA-N	323.360	1.646	50	20	DDGD	
COc1cc(C)nc(NNC(=O)/C=C/c2ccc(C(=O)O)o2)n1	1594057947	VQWSVFKGIBHIBY-GQCTYLIASA-N	318.289	1.241	50	20	DDGD	
COCCN(CC(C)C)NC(=O)Cc1ccc(C(=O)O)cc1	1599235356	VSEPRVKRDKXULR-UHFFFAOYSA-N	308.378	1.563	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@]2(C(=O)O)CC=CCC2)c1	1594626157	UOAZWZLZYVNISD-INIZCTEOSA-N	313.313	1.130	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H](CC(F)F)C(=O)O	1590701101	DUOAYCOVVFFHSF-LURJTMIESA-N	307.746	1.279	50	20	DDGD	
Cn1cc(C(=O)O)cc1C=NNC(=O)Cc1c[nH]c2ccccc12	1776025487	CLPLFLVVEKGAOH-UHFFFAOYSA-N	324.340	1.897	50	20	DDGD	
CC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COC	1795599610	CHEISOQBSXECRC-USZNOCQGSA-N	302.802	1.288	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccncc2)c1C	18102751	MNYHFHMUVXZACT-ZDUSSCGKSA-N	313.357	1.927	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1cc2occc2[nH]1	152392521	PGDZTYGDBGKCQB-UHFFFAOYSA-N	301.277	1.904	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cccs1)Cc1ccoc1	153549244	OMPPLUBIBPHRBD-UHFFFAOYSA-N	307.375	1.624	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@H]1CC=CCC1	5718903	AOLZGCQINWEOKS-ZDUSSCGKSA-N	318.373	1.968	50	20	DDGD	
COCCC1(C(=O)NNC(=O)c2ccc3ccccc3n2)CC1	156617845	NUGZMUGKAYCXRN-UHFFFAOYSA-N	313.357	1.813	50	20	DDGD	
Cc1ccc(C)c(C(=O)NNC(=O)CNC(=O)c2ccco2)c1	156888724	ZXXAKWUNFLDZME-UHFFFAOYSA-N	315.329	1.087	50	20	DDGD	
NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(CCCl)cc1	36900578	CWHOQBRPWPSPFO-LBPRGKRZSA-N	316.810	1.106	50	20	DDGD	
C[C@@H]1[C@H](C(=O)N(C)NC(=O)OCc2ccccc2)CCN1C	862288601	HNNVCOPWVCFQFM-TZMCWYRMSA-N	305.378	1.626	50	20	DDGD	
CCCCNC(=S)NNC(=O)CNc1ccc(OC)cc1	7520132	QNPAZXVQEBFJQA-UHFFFAOYSA-N	310.423	1.403	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H](C)Sc1nncn1C	56138444	SFJKXPPAHWJWBU-JTQLQIEISA-N	319.390	1.065	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCCn2ccnc2C)c(O)c1	101648267	IDTMMOAGPBSUCT-UHFFFAOYSA-N	316.361	1.447	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc(C)n(C2CC2)c1C	110759991	NLWLIGCDODEZET-UHFFFAOYSA-N	301.350	1.546	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2occc2C)cn1	105512062	KDKUZUFRACJYLG-UHFFFAOYSA-N	306.347	1.623	50	20	DDGD	
Cc1cnn(CC2CC2)c1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	1345791893	QOSXMTZGBXDZSE-CMPLNLGQSA-N	321.381	1.179	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NC[C@@H]1CCc2ccccc21	111878787	PSTSNEHACSMZNW-HNNXBMFYSA-N	324.384	1.685	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C(C)(Cl)Cl)cc1	179867491	YTSNOZHSHIUZGR-UHFFFAOYSA-N	319.188	1.969	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)NC2CCCC2)cc1	65920944	NYZHEAVDSPVBMQ-UHFFFAOYSA-N	305.334	1.360	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Cc1cnn(C)c1)c1ccccc1	110343909	IDADAYFTSPVUPR-AWEZNQCLSA-N	300.362	1.304	50	20	DDGD	
O=C(NNC(=O)c1nc(Br)cs1)c1ccc[nH]1	119886862	PURUVVMIEBQCIB-UHFFFAOYSA-N	315.152	1.309	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NC1CCN(CC2CC2)CC1	170899534	HCQSVMRRZDFBBA-UHFFFAOYSA-N	310.442	1.627	50	20	DDGD	
COc1ccc([C@@H](C)NC(=O)NNC(=O)C2CCC2)c(OC)c1	1345944018	MWCNRUZCRHIZPJ-SNVBAGLBSA-N	321.377	1.895	50	20	DDGD	
COCCC1(CNC(=O)NNc2cncc(Cl)n2)CCC1	119403746	IJNVYYCIBBMIFD-UHFFFAOYSA-N	313.789	1.963	50	20	DDGD	
Cc1c(C(=O)NNC(=O)N2CCOCC2)oc2ccccc12	27338418	SKLSMBOQDRXJQO-UHFFFAOYSA-N	303.318	1.428	50	20	DDGD	
CC[C@@H](C)N(C)CCNC(=O)NNC(=O)c1ccccc1OC	67480017	UNBCUAWTQNHPQZ-GFCCVEGCSA-N	322.409	1.370	50	20	DDGD	
C[C@@H](Cc1ccccc1F)C(=O)NNC(=O)N1CCOCC1	172343524	BZXDZAWCOJLVGM-NSHDSACASA-N	309.341	1.077	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)CN(C)C)c1cccc(Cl)c1	175259071	ZWPWHODSDZXICC-AWEZNQCLSA-N	311.813	1.789	50	20	DDGD	
O=C(Cc1csc(-c2ccccc2)n1)NNC(=O)C1CC1	26966652	APRVGXNRAKBBKV-UHFFFAOYSA-N	301.371	1.910	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCO[C@H](c2cccc(F)c2)C1	171769791	FHAQTOMKQQPZLP-ZDUSSCGKSA-N	323.368	1.986	50	20	DDGD	
NS(=O)(=O)Cc1cccc(C(=O)NNc2ccc(F)cc2)c1	170666287	GKOYYBPBKUWNHF-UHFFFAOYSA-N	323.349	1.371	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNc1ccc(Cl)nn1	172442093	GXQIHAJQWZTLGS-UHFFFAOYSA-N	313.789	1.516	50	20	DDGD	
COC(=O)[C@@H](C)CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	171082105	MMSBPRVTJKKKBU-QWGQVVDNSA-N	314.345	1.037	50	20	DDGD	
CCc1n[nH]c(=O)c(C(=O)NNc2nc(C)cc(C)n2)c1CC	125969427	BJLCUWMTDUIWCJ-UHFFFAOYSA-N	316.365	1.058	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)C(=O)Nc1cccc(Cl)c1F	123212176	MBLCLAJRRJVTOY-UHFFFAOYSA-N	324.699	1.207	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cnn(CC(C)C)c2)n1	183224723	VKDUCMDGJORVRC-UHFFFAOYSA-N	304.354	1.403	50	20	DDGD	
CCc1ccc(OCC(=O)NNC(=O)NC2CCCC2)cc1	31025524	XHGPPXDLOKYOJT-UHFFFAOYSA-N	305.378	1.901	50	20	DDGD	
COc1cc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)on1	121527012	ITRZBWFWBREJNK-UHFFFAOYSA-N	309.709	1.340	50	20	DDGD	
O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNc1ccccc1	78225380	AMIYEGDVMUUSMD-CHWSQXEVSA-N	301.346	1.305	50	20	DDGD	
CC[C@H]1CCN(CC(=O)NNC(=O)c2ccccc2Cl)C1	125846530	ZSDKJQUMOSTPST-NSHDSACASA-N	309.797	1.833	50	20	DDGD	
Cc1ccc(-c2ccc(C(=O)NNC(=O)CO)c(F)c2)cc1C	182770648	HDVDTLNWYZUTTQ-UHFFFAOYSA-N	316.332	1.863	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)Cn2nc(C)cc2C)nc1	184268898	BKTMSBZMQLMKIS-UHFFFAOYSA-N	302.338	1.056	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@@H]2CCCO2)c1	32262456	VDIZOFGHEAFCNM-AWEZNQCLSA-N	320.389	1.824	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C(C)(C)C)c1nnc2ccccn12	121543645	YCQWZAKLTIZIQU-SECBINFHSA-N	304.354	1.167	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2c(O)cccc2O)cc1	125578106	MRKBRMJCFMUHIW-UHFFFAOYSA-N	300.314	1.735	50	20	DDGD	
NC(=O)[C@H]1CC[C@@H](C(=O)NNc2cccc(C(F)(F)F)c2)O1	189331761	XZFYDKLIUZLJTC-ZJUUUORDSA-N	317.267	1.181	50	20	DDGD	
COc1cccc(NNC(=O)c2cc3ccccc3oc2=O)n1	180717365	PMJWSHIRYKOPSC-UHFFFAOYSA-N	311.297	1.954	50	20	DDGD	
CCNc1ncc(C(=O)NNC(=O)Cc2ccccc2F)s1	128787810	XSUITHJQBJSSME-UHFFFAOYSA-N	322.365	1.718	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNC(=O)CNc1ccc(C)cc1	76949853	GVTWGMMNBSBTOP-CYBMUJFWSA-N	307.394	1.760	50	20	DDGD	
NC(=O)N1CCC[C@@H](C(=O)NNc2ccc(Cl)c(F)c2)C1	130456141	IGYJAPSMZTUHGI-MRVPVSSYSA-N	314.748	1.713	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NCc2ccco2)cnn1C(C)(C)C	138892816	VBKRKFJZGQLZRC-UHFFFAOYSA-N	319.365	1.684	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)NC[C@H]2CCOC2)c1	47068216	PFVJMBNUIFRZHK-CYBMUJFWSA-N	321.377	1.049	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccn(C3CCCC3)n2)n1	130003519	CJUOMUHZHDQCIN-UHFFFAOYSA-N	302.338	1.554	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cc(N(C)C)ccn2)cc1	195487537	IDBOWVPTOOZUMQ-UHFFFAOYSA-N	312.373	1.785	50	20	DDGD	
Cn1c(NNC(=O)C[C@H]2CCCCO2)nc2ccccc2c1=O	87357478	NDNSBRUSSNGRDJ-LLVKDONJSA-N	316.361	1.336	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cnc([C@H]3CCCO3)s2)[nH]n1	89777501	SANNARDOKMXJAC-SECBINFHSA-N	321.362	1.101	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCCCC(=O)NC1CC1	194276897	GGZWERJCKKNVQQ-JLHYYAGUSA-N	313.357	1.474	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)Cc1cccc(Cl)c1Cl	194561829	FQQHLHGXKWQIGD-UHFFFAOYSA-N	305.161	1.454	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNC(=O)NC2CCCCC2)nn1	190469912	WLOYGZHGWYMJKI-UHFFFAOYSA-N	308.386	1.310	50	20	DDGD	
C[C@H](N)[C@@H](C)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	192052018	GGHDOECCHQISMR-SFYZADRCSA-N	309.757	1.816	50	20	DDGD	
CN(C)Cc1cccc(NC(=O)NNC(=O)c2ccc[nH]2)c1	194755580	WGMYPYXQZRQOHX-UHFFFAOYSA-N	301.350	1.543	50	20	DDGD	
CCN(C(C)=O)c1nc(/C=C(\C#N)C(=O)NCCOC)cs1	192553954	VKCZJHOJYHESNA-YRNVUSSQSA-N	322.390	1.185	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNC(=O)c2ccncc2)cc1	130748642	SMNAJUZJRWAMLL-UHFFFAOYSA-N	313.357	1.829	50	20	DDGD	
COCc1nc(C)c(C(=O)NNc2cc(C)nc(C)n2)s1	89494878	ZKZMKYFCSFHUMQ-UHFFFAOYSA-N	307.379	1.762	50	20	DDGD	
CC[C@H](C)Oc1ccccc1/C=C/C(=O)NNC(=O)C(C)(C)O	192922262	DLDYNEHAMJLGLA-IIANPFDCSA-N	320.389	1.795	50	20	DDGD	
COCCOc1cc(C)ccc1NC(=O)NNC(=O)C1CC1	274154994	ZWSFTPBSZPUZAL-UHFFFAOYSA-N	307.350	1.583	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C[C@](C)(O)C1CC1)c1ccccc1	270070863	RTACQTXAFQOIGS-PBHICJAKSA-N	304.390	1.879	50	20	DDGD	
Cc1ccc2c(c1)CC[C@H](C(=O)NNC(=O)NC1CCCC1)O2	279729239	VSFKVEIIBHIMJJ-OAHLLOKOSA-N	317.389	1.962	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H](CO)CC(C)(C)C)n1	279733873	WJYBMMNJTIULKO-LLVKDONJSA-N	308.382	1.131	50	20	DDGD	
O=S(=O)(CBr)NC[C@H](O)c1ccc(F)cc1	272808827	MQXGYFINYPIPHS-VIFPVBQESA-N	312.160	1.131	50	20	DDGD	
O=C(CN1CCC(C2CC2)CC1)NNC(=O)c1ccccc1	366398039	IQSGAYQOROUAIW-UHFFFAOYSA-N	301.390	1.570	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1oc(Br)cc1C	272630564	BARXOGJBYRIFMR-UHFFFAOYSA-N	304.144	1.657	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNc1cccc(Br)c1	270527509	ANJCCJFSIRBVDT-ZETCQYMHSA-N	316.155	1.637	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@@H]1CCO[C@@H](C)C1	271250214	KFROTZKQRMENPW-WCQYABFASA-N	321.377	1.136	50	20	DDGD	
CCCCn1cc(C(=O)NNC(=O)c2cccc(C)n2)c(C)n1	279861672	VFPRHZYKGQZJGL-UHFFFAOYSA-N	315.377	1.770	50	20	DDGD	
C=C(C)[C@@H](CC(=O)NNC(=O)c1ccccc1OC)OCC	270041646	JMMJIGNASJWMLF-CQSZACIVSA-N	306.362	1.828	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1ccc(OCCC(=O)O)cc1	276268178	GSGRNUPJOHDXLS-LCYFTJDESA-N	309.343	1.839	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(SC)ccc1C	274071274	OECNJCLBHXFYAU-SECBINFHSA-N	323.418	1.849	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNC(=S)Nc1cccc(C)c1C	270492785	UOZVDPDNFVOCHL-JTQLQIEISA-N	324.406	1.366	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)Nc1ccccc1	272208353	ZZKGQKWGXADAMH-UHFFFAOYSA-N	308.338	1.364	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2ccn(C(C)C)n2)cc1	280901296	BTPCECXISHYJKF-UHFFFAOYSA-N	317.349	1.554	50	20	DDGD	
O=C(NNc1ncccc1F)[C@@H]1CCCN(C(=O)C2CC2)C1	286018277	PODOOTQYMILVHT-LLVKDONJSA-N	306.341	1.312	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2ccnn2C(C)(C)C)n1	281180933	XYQOZMKGDHKCTD-UHFFFAOYSA-N	316.365	1.808	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)n1	284257957	IMZUXDNAXYNSAU-UHFFFAOYSA-N	317.393	1.183	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc2c(c1)CN(CC(F)F)C2	294229610	OEMVJZFVFCCGHA-UHFFFAOYSA-N	314.292	1.660	50	20	DDGD	
CC(C)NC(=O)NNC(=O)COc1ccc(Cl)c(F)c1	293294437	PBHVCHZQZIGXJN-UHFFFAOYSA-N	303.721	1.597	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc3ccccc3oc2=O)O1	294302816	QYVNTMDTKBQXOJ-ZANVPECISA-N	316.313	1.122	50	20	DDGD	
O=C(NNc1cccc(F)n1)C(=O)Nc1cc(F)ccc1F	807391695	GDBLEFUCQCPMOP-UHFFFAOYSA-N	310.235	1.581	50	20	DDGD	
CCC[C@@H](C)C(=O)NCCNC(=O)NNC(=O)c1ccc(C)o1	292714211	HJGPCPFLLZXFAK-SNVBAGLBSA-N	324.381	1.084	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Nc1cnnn1C)c1ccccc1	809905816	AFSZDINJDAOJRR-LLVKDONJSA-N	302.338	1.162	50	20	DDGD	
CC(C)CCC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1	802710097	OUPKVGMEGBERFU-LBPRGKRZSA-N	315.439	1.675	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1cc(C(F)(F)F)ccn1	295458756	XGYSYVTVEZCCTP-UHFFFAOYSA-N	320.271	1.680	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1cnn2ccccc12	804952626	RLLLYLQFIYPBKJ-UHFFFAOYSA-N	320.316	1.067	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)COC2(C)CCC2)cc1	801106200	OXQWZPVOQZZJFT-UHFFFAOYSA-N	319.361	1.040	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C(=O)c1cccn1C)c1ccccc1	806832810	SFZDTMJHOGFAKK-CYBMUJFWSA-N	313.357	1.549	50	20	DDGD	
COCc1ncc(C(=O)NNc2ncccc2[N+](=O)[O-])s1	807061429	NBSSCLRXUPGUDE-UHFFFAOYSA-N	309.307	1.350	50	20	DDGD	
Cc1csc(CCCC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)n1	293977570	SNNRKVDACLZMPM-QWRGUYRKSA-N	311.407	1.489	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cccc(Cl)c1F	802032154	OLPODZVJHDVRAV-UHFFFAOYSA-N	308.700	1.763	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccn(CCc2ccccc2)n1	294499788	NSCNXAHANPHLGI-UHFFFAOYSA-N	314.389	1.933	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)C1=CCCCC1	292077900	DBULUVJKENCIJF-UHFFFAOYSA-N	323.418	1.880	50	20	DDGD	
C[C@@H]1CC(=O)N[C@H](C(=O)NNc2ncc(Cl)cc2Cl)C1	293506480	NNHZYGYPEKXRID-RCOVLWMOSA-N	317.176	1.746	50	20	DDGD	
CSc1ccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)nc1	296493427	BETRKXRTPFBBTL-JTQLQIEISA-N	310.379	1.525	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2nc3cccnc3s2)c1	801151315	LPYYPAPYOJVBHO-UHFFFAOYSA-N	323.337	1.638	50	20	DDGD	
CC(C)NC(=O)Nc1ccc(C(=O)NNC(=O)N(C)C)cc1	299384299	PBAHXGANRJQRKB-UHFFFAOYSA-N	307.354	1.133	50	20	DDGD	
Cc1cc(OCC(=O)NNc2nccnc2C2CCC2)no1	805470713	TUKFCCXNCUMXDB-UHFFFAOYSA-N	303.322	1.563	50	20	DDGD	
COc1ccc2c(c1)C[C@H](C(=O)NNC(=O)OC(C)(C)C)CO2	299213472	LKFQOLOFZMZZJZ-NSHDSACASA-N	322.361	1.802	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	806341640	NMODEYULXBEAQL-UHFFFAOYSA-N	324.340	1.079	50	20	DDGD	
Cc1cc(C)c(S(=O)(=O)NNC(=O)c2ccccc2)s1	814210986	XZMVNQQBMKUXEJ-UHFFFAOYSA-N	310.400	1.988	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)c2cccc(C#N)n2)cc1	810628009	QQPNBYOQACFNNG-UHFFFAOYSA-N	324.344	1.486	50	20	DDGD	
COc1ncc(C=NNC(=O)c2ccc(OC)c(OC)c2)s1	812223231	YGBWWDYCIHQXBT-UHFFFAOYSA-N	321.358	1.933	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)N=c1cc[nH]cc1)OCO2	814999939	CAFUQYSVTZLTNP-UHFFFAOYSA-N	314.301	1.396	50	20	DDGD	
Cn1c(NNC(=O)CCc2ccc(O)nc2)nc2ccccc21	816577842	BTLTZEJLVQGSKZ-UHFFFAOYSA-N	311.345	1.750	50	20	DDGD	
Cn1nncc1NNC(=O)c1cccn1Cc1cccs1	816770455	YHOJLVXDYKCVSD-UHFFFAOYSA-N	302.363	1.483	50	20	DDGD	
Cc1cccc(N2C[C@H](C(=O)NN(C)C3CC3)CC2=O)c1C	819644022	YHOOKIIJBAQGAS-CYBMUJFWSA-N	301.390	1.782	50	20	DDGD	
C[C@@H]1C(=NNC(=O)Cc2cc[nH]n2)CCN1Cc1ccccc1	814955017	UPXAHLUBTCSVLI-CYBMUJFWSA-N	311.389	1.719	50	20	DDGD	
CC(C)C(=O)NN=Cc1ccc(Cl)c(S(N)(=O)=O)c1	814744159	FRJJRSHXUIHBGK-UHFFFAOYSA-N	303.771	1.094	50	20	DDGD	
CCCN1C[C@@H](CNC(=O)NNc2ncccc2C)CC1=O	817174162	ZUYVOYJCYCOLHZ-GFCCVEGCSA-N	305.382	1.275	50	20	DDGD	
CN(NC(=O)C[C@@H](CC(C)(C)C)C(=O)NN(C)C1CC1)C1CC1	819652102	ASVJTSYLLBFUGK-LBPRGKRZSA-N	324.469	1.680	50	20	DDGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1ncn(C)n1	810323760	UMFARANIYKZAJQ-UHFFFAOYSA-N	318.406	1.570	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@H]1CCc2cccnc21	819902567	QJOFGUCJYVFZOA-HNNXBMFYSA-N	309.369	1.810	50	20	DDGD	
NS(=O)(=O)c1ccc(NC(=O)NN=C[C@@H]2CC=CCC2)cc1	814966208	RGDGMRXZABVGLB-LLVKDONJSA-N	322.390	1.798	50	20	DDGD	
CCCN1C[C@@H](CNC(=O)NNc2cccc(C#N)c2)CC1=O	817787796	LGISRSLFDYTHFY-CYBMUJFWSA-N	315.377	1.443	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)Cc2cnn(C)c2)c1	725907473	KITIHJBRZNHHHI-UHFFFAOYSA-N	303.391	1.289	50	20	DDGD	
CN1C(=O)CC[C@H]1CC(=O)NN=c1sc2ccccc2n1C	820685597	JWXRNBPGOYKKDG-JTQLQIEISA-N	318.402	1.183	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)N[C@@H]2CO[C@H](C)C2)cc1	827611782	CKMMGNMCTWLZDE-YPMHNXCESA-N	321.377	1.136	50	20	DDGD	
CCCN(NC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)OC(C)(C)C	495760224	NTBBWXFOIWNRDO-SNVBAGLBSA-N	320.411	1.099	50	20	DDGD	
CC(C)=CCC/C(C)=C/C=NNC(=O)[C@@H](C)NS(C)(=O)=O	728437331	QMRFABGJZYXFKC-CQQKQCQLSA-N	315.439	1.719	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H](O)c1ccc(Cl)c(Cl)c1	822203894	UPHHUNWEVDZKAY-SNVBAGLBSA-N	305.161	1.830	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H]2CCCCN2C2CCCC2)nc1O	824044291	MZGPXWRLPPANLJ-LBPRGKRZSA-N	320.397	1.126	50	20	DDGD	
Cc1noc(CCCOC(=O)/C(C#N)=C/c2cnn(C)c2)n1	829237264	VHWFMJKXLUHGPQ-WUXMJOGZSA-N	301.306	1.195	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)CN1CCOC1=O	821743479	RXMCGXJIWDQDPH-UHFFFAOYSA-N	300.318	1.439	50	20	DDGD	
CC(C)C1CCC(=NNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1	729636812	AAQOOHOXEOONSY-YUZLPWPTSA-N	315.439	1.675	50	20	DDGD	
CSCC[C@H](N)C(=O)NN=c1sc2ccccc2n1C	826614315	IEEJUPSQJIZCBG-VIFPVBQESA-N	310.448	1.252	50	20	DDGD	
CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)NN(C)[C@H](C)CO	823959805	PVOQNNRRMPYSTE-ABAIWWIYSA-N	317.430	1.414	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NOCC2CCC2)cc1	824022799	VNDJAVYVILRMNB-UHFFFAOYSA-N	307.350	1.436	50	20	DDGD	
CC(C)C[C@H](NC(=O)O)C(=O)NNc1ccc([N+](=O)[O-])cc1	824210815	JRQVWGWDSZFTBJ-NSHDSACASA-N	310.310	1.720	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)C1CCCC1)NC(=O)C1CCCC1	727102243	KHLQAYLYFOKYEC-NSHDSACASA-N	309.410	1.409	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-]	496512235	KTCPKPRXZOIYDT-UHFFFAOYSA-N	317.323	1.151	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(-c2cccc(Cl)c2)no1	823964488	ATSIDXRLLGYULB-SECBINFHSA-N	309.753	1.952	50	20	DDGD	
C[C@H](CN(C)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccccc1	827306068	CMHGPLVAMDXGFQ-NFAWXSAZSA-N	319.405	1.888	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cc(-n2ccnn2)ccc1F	820709412	CUHCGTXTOLLJPZ-UHFFFAOYSA-N	305.313	1.214	50	20	DDGD	
O=C(Nc1ccccc1)C1CCN(S(=O)(=O)CCl)CC1	820783499	BFHCJOYGOOFSRV-UHFFFAOYSA-N	316.810	1.863	50	20	DDGD	
COC(=O)N(C)N=Cc1c(Cl)nc(N)nc1N1CCCC1	497199831	FDRBIMXTGJLCCQ-UHFFFAOYSA-N	312.761	1.345	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(C)c1	825696829	CYKLAZCWVOEHNH-TZMCWYRMSA-N	305.378	1.559	50	20	DDGD	
CCOCCC1(CNCc2ccccc2B(O)O)CCCC1	585031101	QLPFWRXRDPGPFL-UHFFFAOYSA-N	305.227	1.443	50	20	DDGD	
C#CCO[C@@H](C)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	822201411	FMMLAOOOBRSEST-LBPRGKRZSA-N	302.374	1.783	50	20	DDGD	
COC(=O)C1(C)CN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1	491014880	YVFYVQKSCDQKGJ-GHXNOFRVSA-N	302.305	1.754	50	20	DDGD	
CC1=NO[C@](C)(C(=O)NNC(=O)CCCc2ccccc2)C1	903103684	MNULIZNTBGDBBD-INIZCTEOSA-N	303.362	1.712	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CC(C(=O)OC(C)(C)C)C2)cn1	491053499	YQLLSGSSTAZCEC-LFYBBSHMSA-N	316.361	1.127	50	20	DDGD	
CCCN1CCC(N(C)C(=O)/C(C#N)=C/c2cnn(C)c2)CC1	491044621	CMIRXUIXTBRKTM-XNTDXEJSSA-N	315.421	1.660	50	20	DDGD	
CCCNC(=O)NN=C(C)CCN1C(=O)c2ccccc2C1=O	730947034	ZRLMIMKIHXMINY-UHFFFAOYSA-N	316.361	1.758	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=O)Nc2ccccc2)C1	908049571	IIHQTPXHPBOTDD-MFKMUULPSA-N	313.361	1.929	50	20	DDGD	
C[C@H]1CC=C(C(=O)NNC(=O)COc2ccccc2O)CC1	836650315	FAZSTUWEMDTILU-NSHDSACASA-N	304.346	1.665	50	20	DDGD	
CON(C)C(=O)CCC(C)=NNC(=O)c1ccc(Cl)nc1	834943585	YEIWADDQYUETNE-UHFFFAOYSA-N	312.757	1.641	50	20	DDGD	
CN([C@@H]1CCCN(c2ccccc2)C1=O)S(=O)(=O)CCl	830535674	UZVBYUVOCYGTOC-GFCCVEGCSA-N	316.810	1.640	50	20	DDGD	
CCc1nn(C)c(Cl)c1C=NNC(=O)NCC(F)(F)F	734746133	OYHREENONXIISN-UHFFFAOYSA-N	311.695	1.831	50	20	DDGD	
OB(O)c1ccc(CN[C@H](c2ccccn2)C2CCC2)c(F)c1	585048655	BOIOXUISCKIHNE-KRWDZBQOSA-N	314.169	1.532	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CCO[C@H](C)C2)c1F	837060386	BQVWRDOJPTZLLY-NXEZZACHSA-N	310.325	1.871	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1ccccc1OC(F)(F)F	730946808	ODSZLACKGPPVKK-UHFFFAOYSA-N	303.284	1.987	50	20	DDGD	
Cc1cccc(C)c1CNC(=O)NNC(=O)[C@@H]1CCCCO1	836365116	MZNFOCKLCCCDIF-AWEZNQCLSA-N	305.378	1.703	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)cc1F	833251248	UGGIVHMQTIZQHR-CYBMUJFWSA-N	309.341	1.222	50	20	DDGD	
CNC(=O)[C@]1(C)CCN(C(=O)[C@@]2(C)C[C@@H]2Br)C1	907939755	MCWSJJZHVPDBJR-AXTRIDKLSA-N	303.200	1.145	50	20	DDGD	
O=C(Cc1n[nH]c2ccccc12)NNc1cccc(C(=O)O)c1	833765348	JJEMPSGOBLZRSU-UHFFFAOYSA-N	310.313	1.947	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)c2cccc3ncccc23)nc1	730225055	JWIRLHOYRSWUJO-UHFFFAOYSA-N	316.320	1.686	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@]1(C)CCc2ccccc21	830271609	USDFFLLFULKFJI-APPDUMDISA-N	318.373	1.380	50	20	DDGD	
CCOc1ccc(Cl)c(NC(=O)C(=O)NNC(=O)CC)c1	835223491	HTRBJIARKCJVFU-UHFFFAOYSA-N	313.741	1.235	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCc2nc(C)no2)c(F)c1	837210884	KBAOAHCRTLEOEG-UHFFFAOYSA-N	322.296	1.380	50	20	DDGD	
O=C(NC[C@H]1CCCc2ccccc21)c1cccc(B(O)O)c1	584926782	BIUCKPHEOHBSNR-OAHLLOKOSA-N	309.174	1.216	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(F)c2occc12	909550427	ONDQWCZFJKJLAM-QMMMGPOBSA-N	322.292	1.675	50	20	DDGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)C(OC)OC	834418639	GGGPPNKZXFPFGN-BRADTZPFSA-N	304.346	1.813	50	20	DDGD	
CCOc1ncc(C)cc1NC(=O)NNC(=O)c1c[nH]nc1C	836708845	QHOQQUGWLCJLPQ-UHFFFAOYSA-N	318.337	1.287	50	20	DDGD	
CCN(Cc1occc1C)[C@H](C)C(=O)NNC(=O)CC(C)C	839661118	KRHDRKQUIJJNQL-CYBMUJFWSA-N	309.410	1.992	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)cc1F)[C@@H](C)c1ccccc1	585025813	DHVMGAMKSHGHFJ-OLZOCXBDSA-N	301.170	1.787	50	20	DDGD	
NC(=O)N1CCC(=NNC(=O)NCc2ccc(Cl)cc2)CC1	732926883	ATNQHIUBXWMRIF-UHFFFAOYSA-N	323.784	1.670	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNC(=O)COc1cccc(C)c1	839455783	LACAUAHURSXKOF-CYBMUJFWSA-N	322.361	1.111	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NNc1ccc(F)cn1	731365659	NGYAJLYZOLYLMV-UHFFFAOYSA-N	313.333	1.372	50	20	DDGD	
O=C(O)NNS(=O)(=O)c1cc(F)ccc1Br	833280422	IFCVRALFTUEFNS-UHFFFAOYSA-N	313.104	1.049	50	20	DDGD	
CN(NC(=O)CNC(=O)Nc1ccccc1)C(=O)OC(C)(C)C	838365409	UQLHWQYCVMZIEU-UHFFFAOYSA-N	322.365	1.706	50	20	DDGD	
CCCC(=NNC(=O)[C@H](C)NS(C)(=O)=O)C1CCCC1	834953583	JZXHZUUTBCSTSJ-JTQLQIEISA-N	303.428	1.387	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H]2C[C@](C)(OC)C2(C)C)n1	746770398	CIIRMGHXGNKHNR-BONVTDFDSA-N	323.397	1.623	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CN1[C@H](C)CC[C@H]1C	746240163	LPUYVHWEHCRFPF-VXGBXAGGSA-N	305.378	1.329	50	20	DDGD	
COc1cccc(-c2cc(C(=O)NN(C)C[C@H](C)O)on2)c1	910185452	ZUDNUHGBNAALNM-JTQLQIEISA-N	305.334	1.308	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1ccc(Cl)nc1)C(F)(F)F	745819946	PXSCOGDOUSBMDL-ZETCQYMHSA-N	312.679	1.938	50	20	DDGD	
CNc1cc(Cl)ccc1C(=O)NNC(=O)[C@H]1CCCCO1	848158027	NRNDGKFKILYXGX-GFCCVEGCSA-N	311.769	1.712	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CC([C@H](F)C(=O)O)C1	910131802	KKYRGBLATTXINV-JGVFFNPUSA-N	310.163	1.677	50	20	DDGD	
C#CCNC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1cccc(OC)c1	744568062	OGDUQSGKHSCELN-ZMTLZGASSA-N	312.325	1.283	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cc3c(s2)CCC3)CCN1	841989751	WTPPXOBJALUSAW-ONGXEEELSA-N	322.434	1.321	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@]2(C(=O)O)CC=CCC2)n1	846708225	YOQSHCVGINPCBO-AWEZNQCLSA-N	306.322	1.048	50	20	DDGD	
COCCc1nc(C)c(C(C)=NNC(=O)c2ncccn2)s1	841664420	RSHVVIWLYYNSPJ-UHFFFAOYSA-N	319.390	1.584	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1ccc(F)c(F)c1	748259992	OAXMDFAHPKJYIQ-JTQLQIEISA-N	300.305	1.857	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCC2(C)CCC(C)(C)CC2)cn1	840424776	BENFRWZSPPHETK-UHFFFAOYSA-N	321.425	1.971	50	20	DDGD	
C[C@@H](Oc1ccccn1)C(=O)NNC(=O)c1cccc(Cl)c1	914685499	JVIOIUJINFVGMC-SNVBAGLBSA-N	319.748	1.964	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)[C@H]1CCc2ncncc2C1	844134352	JQPHRKLZNRUTNT-QMMMGPOBSA-N	304.741	1.168	50	20	DDGD	
COc1ccc(CCCCC(=O)NN(C)C[C@@H](C)O)cc1OC	910184907	SFHZISNKJFDTII-CYBMUJFWSA-N	324.421	1.760	50	20	DDGD	
COC(=O)c1ccc(Cl)c(C(=O)NN(C)C[C@H](C)O)c1	910146464	DRUABCCDASACJE-QMMMGPOBSA-N	300.742	1.084	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(Cl)c2c(c1)OCCO2	910179543	YRGUFWSGWNOQEG-QMMMGPOBSA-N	300.742	1.069	50	20	DDGD	
COc1cc(C)cc2c1OCCC2=NNC(=O)N1CCOCC1	745592259	RYFXUKPYFILURD-UHFFFAOYSA-N	319.361	1.532	50	20	DDGD	
CCc1ccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)s1	849193367	NKMDSCCHLACHHO-JTQLQIEISA-N	316.448	1.416	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1c(C2CC2)cnn1C	849242091	VNVHDPRVGAXHFH-LCYFTJDESA-N	302.378	1.747	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@H](C)C(=O)NCCc1ccccc1	840728380	JPQUHNQKENWPMH-MLJWKTOOSA-N	315.373	1.294	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1sccc1Cl	842590648	QIXLKMFGVAWJRO-BQBZGAKWSA-N	324.811	1.136	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H](CC(C)C)OC)cc1OC	841004862	ZAPQRWHMMFNFKB-AWEZNQCLSA-N	324.377	1.526	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC(CCN)CC1	846695077	HSGLSOJVXUNPNZ-UHFFFAOYSA-N	312.845	1.940	50	20	DDGD	
Cc1ccc(-c2ncco2)cc1NC(=O)NNC(=O)CCCN	841164329	QHHXUEHFYCJMCP-UHFFFAOYSA-N	317.349	1.542	50	20	DDGD	
O=C(NC[C@H]1CNCCCO1)NNc1ccc(Cl)c(F)c1	842003171	FJFFQVLRXMCICU-SNVBAGLBSA-N	316.764	1.484	50	20	DDGD	
C[C@]1(CN[C@H]2C(=O)NCC23CCOCC3)C[C@H]1Br	926737186	NIPBVQNLYRROMZ-JFGNBEQYSA-N	317.227	1.045	50	20	DDGD	
O=C(O)[C@@H](C(=O)NNc1ccccc1[N+](=O)[O-])C1CCCC1	852946007	LPDDCYLLKUHWKZ-GFCCVEGCSA-N	307.306	1.929	50	20	DDGD	
C[C@H]1C[C@@H]1c1ccc(CNC(=O)NNC(=O)c2cn[nH]c2)o1	858148011	IEJVZVRQODVFSP-KWQFWETISA-N	303.322	1.270	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=Cc1cccc(F)c1	750945929	UBIZPWMBIPYWDH-UHFFFAOYSA-N	305.334	1.767	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@@](C)(O)c1ccccc1)C1CC1	855095856	QDTBJEKIHIHPBK-BMIGLBTASA-N	307.419	1.188	50	20	DDGD	
C=CCNC(=S)NNC(=O)C[C@H](C)Cc1cccc(OC)c1	929242837	OUYUXBVNBDHCRZ-GFCCVEGCSA-N	321.446	1.945	50	20	DDGD	
CC(=O)N[C@H](C(=O)NC[C@]1(C)C[C@@H]1Br)C(C)C	857406089	ZGSXCZDAYIPOEO-NHCYSSNCSA-N	305.216	1.437	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)N[C@@H](C1CCC1)C1CC1	852379691	XDQQBFDBDMFCNQ-ZDUSSCGKSA-N	306.341	1.743	50	20	DDGD	
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)c2ccccc2F)C1	852286892	PORJQPJGCXCHDY-LLVKDONJSA-N	322.384	1.643	50	20	DDGD	
COc1nccnc1NNC(=O)Cc1nn(C)c2ccccc12	857539854	ICRJAIVSLVKNFP-UHFFFAOYSA-N	312.333	1.058	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(-c2ccc(C)o2)[nH]n1	920765041	HGURNOZVLZDGRW-UHFFFAOYSA-N	305.338	1.722	50	20	DDGD	
CCCc1nnc(NC(=O)NNC(=O)CC(F)(F)F)s1	755471305	MNVXGZDIABAEIX-UHFFFAOYSA-N	311.289	1.596	50	20	DDGD	
CCc1cnc(O)c(C(=O)NNC(=S)N[C@@H](C)C2CC2)c1	855095528	OUSJLPOAHQOJKH-QMMMGPOBSA-N	308.407	1.257	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1)c1ncccn1	854952592	MSGLDICOWDGLKC-HUUCEWRRSA-N	324.384	1.897	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)c2cc[nH]n2)[C@@H]1Oc1ccccc1	853392744	SYUCUVKKTWBQLA-GJZGRUSLSA-N	314.345	1.752	50	20	DDGD	
CC1(CNC(=O)NNC(=O)c2cc(Br)c[nH]2)CC1	751999958	OSEKTASYMZNUSX-UHFFFAOYSA-N	315.171	1.521	50	20	DDGD	
CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NNc1cc(F)ccc1C	853934149	PIBZYTFFTZCNMO-RYUDHWBXSA-N	308.357	1.675	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(Br)c(C)c1	755371615	QPTLHHCUNAIUTO-UHFFFAOYSA-N	316.155	1.557	50	20	DDGD	
CC(F)(F)CC(=O)OCC(=O)NNC(=O)c1cccs1	758730647	MPNPWMDOUTUAJS-UHFFFAOYSA-N	306.290	1.098	50	20	DDGD	
COCCN1CC[C@@H](NC(=O)NNc2ccc(C)c(F)c2)C1	853768130	WTRSFFPEHPEGQQ-CYBMUJFWSA-N	310.373	1.481	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)OCC(F)(F)F)c1	856024571	AJDNSSMXFBNVRI-UHFFFAOYSA-N	320.267	1.948	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1C(=O)NNC(=O)OCC(F)(F)F	856024150	KKRNUAJMAQAPBX-UHFFFAOYSA-N	322.287	1.651	50	20	DDGD	
C[C@@H]1CCN(C(=O)NNC(=O)c2cccc(F)n2)CCS1	852710763	WCPFYCWXTLDIBF-SECBINFHSA-N	312.370	1.403	50	20	DDGD	
O=C(NNC(=O)N1C[C@H]2CCC[C@@H](C2)C1)c1cccc(F)n1	852710512	QNSGJPBSDUHRLH-QWRGUYRKSA-N	306.341	1.697	50	20	DDGD	
C[C@H](C(=O)NNc1ccccc1S(C)(=O)=O)c1cnn(C)c1	750236776	SILCGKOUCWZBJV-JTQLQIEISA-N	322.390	1.070	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2	860190073	OJJCGBYWSYMCIP-ZOPJHEKZSA-N	324.421	1.938	50	20	DDGD	
C[C@H](NNC(=O)Cc1ccc(-n2cccn2)cc1)C(F)(F)F	862310250	SNUMXCRSESKFIA-JTQLQIEISA-N	312.295	1.986	50	20	DDGD	
COC(=O)Nc1cc(C(=O)NNC(=O)C2CCCC2)ccc1F	930133844	MKSMRTPLSDIHQO-UHFFFAOYSA-N	323.324	1.955	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cnc(C(C)(C)C)nc1	764653084	UMARGHHSDRXINH-UHFFFAOYSA-N	317.353	1.721	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)/C(=C/c1ccccc1)C(F)(F)F	867672237	GVIZMCCCDAFLKW-NTMALXAHSA-N	316.279	1.551	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1c(C(F)F)nc2n1CCCC2	865047872	ZGYZRUVCBJOQQD-UHFFFAOYSA-N	301.297	1.073	50	20	DDGD	
CC(=O)Nc1ccccc1CC(=O)NNC(=O)c1ccc(C)o1	768024006	NOWKMKRGFNHMBF-UHFFFAOYSA-N	315.329	1.550	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)C1CCN(C2CC2)CC1	863099162	BZIYKPWZDOKMPD-UHFFFAOYSA-N	315.286	1.679	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H](C)Sc2nnnn2C2CC2)n1	862523476	FNHXEBFISOAOBR-VIFPVBQESA-N	319.394	1.335	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cnc2[nH]cnc2c1)c1ccccc1	764218034	UAHOISGOVCTTMG-ZDUSSCGKSA-N	323.356	1.913	50	20	DDGD	
CN(CC(=O)NNc1ccc(Cl)nc1)[C@@H]1CCSC1	764465921	MUIZEAJYRIWCJU-SNVBAGLBSA-N	300.815	1.615	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)Nc2ccc(OC)cc2)c(C)n1	861566939	WCXYCAKMHGKXEF-UHFFFAOYSA-N	317.349	1.687	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccnc1)c1ccc(C#N)cc1	763196889	UXZABILCYGDABA-UHFFFAOYSA-N	321.340	1.223	50	20	DDGD	
C[C@H]1c2ccc(F)cc2C[C@@H](C)N1CC(=O)NNC(=O)C1CC1	769955585	ZUQFMEXOCZKYQF-MNOVXSKESA-N	319.380	1.691	50	20	DDGD	
CC(=O)N1CCCN(S(=O)(=O)CC(C)(C)CCl)CC1	866437506	IRGPXVGZWPDPCJ-UHFFFAOYSA-N	310.847	1.135	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCc1nncn1C1CC1	867210527	YMOYNZSTUAKBLK-UHFFFAOYSA-N	306.819	1.297	50	20	DDGD	
COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Br)C(C)(C)C	767029850	MLRZAGYXPKIJQG-DTWKUNHWSA-N	306.200	1.960	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C=NNC(=O)[C@H]2CCO[C@H]2C)c1C	863122327	DFNNZAHNYDTPCL-RYUDHWBXSA-N	321.377	1.683	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCC[C@H]1C(F)(F)F)c1ncccn1	868894570	RSISQYROYDSGRK-DTWKUNHWSA-N	316.283	1.606	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cc3n(n2)CCCO3)cc1Cl	762265646	VJRWQWUCIBQRBV-UHFFFAOYSA-N	317.736	1.948	50	20	DDGD	
C[C@H]1CC[C@H](C)N1CC(=O)NNc1cc(C#N)cc(Cl)n1	769057901	ZPEAFNIUSJMPGA-UWVGGRQHSA-N	307.785	1.923	50	20	DDGD	
Cc1nocc1C(=O)NNC(=S)NCCc1cccs1	864663080	UDXRZSVUKWTCNL-UHFFFAOYSA-N	310.404	1.396	50	20	DDGD	
CCC(CC)(C(=O)NNC(=O)COCCOC)c1ccccc1	869909868	LBCXJEHJUXGGDO-UHFFFAOYSA-N	322.405	1.555	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=CCC[C@@H]1C[C@H]2CC[C@H]1C2	768778001	TYWWVWZSIALIMR-LOWDOPEQSA-N	315.439	1.243	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2cnn3ncccc23)c1	765479762	OLTNTSJPFYVTER-UHFFFAOYSA-N	313.708	1.406	50	20	DDGD	
Cc1nc2ccc(S(=O)(=O)NNC(=O)CC(C)C)cc2o1	1116730820	FCQXPUXUXNOODS-UHFFFAOYSA-N	311.363	1.492	50	20	DDGD	
CCc1cc(=NC(=O)NN(C)CCOC)c2ccccc2[nH]1	879600727	XKGLCHAZDVYVNK-UHFFFAOYSA-N	302.378	1.834	50	20	DDGD	
Cc1ccccc1C[C@@H](C)NC(=O)NNC(=O)C1CCNCC1	1118027011	NYBQLCAQOYIKPM-CYBMUJFWSA-N	318.421	1.256	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1c[nH]c(Br)c1	1116074023	YYHNNAXSBFABKB-UHFFFAOYSA-N	323.150	1.176	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)Cc1nc[nH]n1	873853514	XTUSPABINZUTDY-UHFFFAOYSA-N	318.406	1.236	50	20	DDGD	
CCCC(=O)NNC(=O)COc1ccccc1Br	870839937	BKQPFPOKTXHKJT-UHFFFAOYSA-N	315.167	1.775	50	20	DDGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cnc2[nH]nnc2c1	775276068	NQOSVTIYMXYNHR-UHFFFAOYSA-N	324.131	1.812	50	20	DDGD	
O=C(NNc1ccc(F)cc1Cl)[C@@H]1CCc2nnnn2CC1	885139056	SSZHPRRAKVRVIH-MRVPVSSYSA-N	324.747	1.561	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNC(=O)Cc2ccncc2)s1	889338872	YJWKAALBMDQXRK-UHFFFAOYSA-N	304.375	1.088	50	20	DDGD	
Cc1onc(CC(=O)NNC(=O)NC2CCCCC2)c1C#N	779491143	JPCSHLDQWUPDQV-UHFFFAOYSA-N	305.338	1.060	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)CC3CCSCC3)nc21	770990352	NIRUNWBXBPPKCB-UHFFFAOYSA-N	322.394	1.045	50	20	DDGD	
COC(=O)[C@@H](NS(=O)(=O)CCCCl)c1ccccc1F	881984489	NRJPEVNFIUHNNV-NSHDSACASA-N	323.773	1.588	50	20	DDGD	
C[C@@H](OC[C@H]1CCCO1)C(=O)NNc1ccc(F)c(F)c1	885110404	BDIGPBFRJLYBHM-MWLCHTKSSA-N	300.305	1.992	50	20	DDGD	
Cc1cncc(NC(=O)C(=O)NNc2c(C)cccc2F)c1	770822162	YSXJFRCNWKBABU-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)CN1CCCCC1=O	773637178	BHYOJFFWUJDXFD-UHFFFAOYSA-N	323.324	1.068	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](c1ccccc1)N(C)CC	887143301	SZBZREZETPSHOZ-MRXNPFEDSA-N	301.390	1.630	50	20	DDGD	
BrC/C=C\n1cc(CN2CCSCC2)nn1	881295059	JOYHTDRKFKOBCX-IWQZZHSRSA-N	303.229	1.693	50	20	DDGD	
CNC(=O)COc1ccc(OS(=O)(=O)CCCCl)cc1	881898687	QMSSFCUDQXQKNU-UHFFFAOYSA-N	321.782	1.149	50	20	DDGD	
CC(C)OCCCCNC(=O)NNc1ncncc1Cl	781017383	WDOSSMADZHYSQP-UHFFFAOYSA-N	301.778	1.961	50	20	DDGD	
N#Cc1ccc(CNC(=O)NNC(=O)CCc2ccccc2)nc1	780641531	OGGPYBLFLHTRRR-UHFFFAOYSA-N	323.356	1.416	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H](C)c1cnn(C)c1	780739025	WUBMTGFYMQGIED-JTQLQIEISA-N	302.334	1.454	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNc1ccccn1)c1ccnn1C	788114337	OJZDWXYYINJDQV-GFCCVEGCSA-N	302.382	1.881	50	20	DDGD	
CC[C@H](NS(=O)(=O)CCCCCl)[C@@H](O)C(F)(F)F	780827261	GFAAOUQTLCIBJJ-JGVFFNPUSA-N	311.753	1.627	50	20	DDGD	
COC(=O)CNC(=O)NN=C1C[C@H](Oc2ccccc2)C1(C)C	789037561	NYWQOEAIUWPNSS-ZDUSSCGKSA-N	319.361	1.692	50	20	DDGD	
CCNC(=O)CC(=O)NNC(=O)Cc1cccc2ccccc12	780861973	MCEUALSDVWTJQU-UHFFFAOYSA-N	313.357	1.056	50	20	DDGD	
C[C@H](C(=O)NNC(=S)NC(C)(C)C)n1cnc2ccccc21	899992194	QPWVAGFQGLVCBZ-SNVBAGLBSA-N	319.434	1.891	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CCc2ncsc2C1	782543893	ANVFCKODVDHONP-UHFFFAOYSA-N	316.386	1.864	50	20	DDGD	
CC(=NNC(=O)CNc1ccccc1F)c1nccnc1C	783507142	BMCNXZBBIOJRMZ-UHFFFAOYSA-N	301.325	1.876	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)o1	794198470	HLWZWGJTTNEMQC-UHFFFAOYSA-N	300.230	1.134	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1NCC(=O)NNC(=O)c1cccc(C)c1	794576421	UQQNVTVUYWUCLR-HIFRSBDPSA-N	303.406	1.924	50	20	DDGD	
NC(=O)c1ccccc1CCC(=O)NNc1nccnc1Cl	792638474	AXZLEFUQZCTCMW-UHFFFAOYSA-N	319.752	1.305	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)[C@@H]1CCC(F)(F)C1	797610174	IWNQQPYGYPLEKB-SECBINFHSA-N	316.279	1.787	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1ccc2c(c1)COC2	790175148	AOBONTXIQPQPJS-UHFFFAOYSA-N	302.378	1.398	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)Cc2ccncc2)c1	791273508	WLFDXCWBPVJIKS-UHFFFAOYSA-N	313.361	1.861	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@@H]1CCC[C@H]2CCCC[C@H]21	795819480	OUYGQPRECODQSY-MGPQQGTHSA-N	309.410	1.666	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H]1CCCN1Cc1ccccn1	791220752	MLQLQHXVGPHKTG-HNNXBMFYSA-N	311.389	1.893	50	20	DDGD	
Cc1c[nH]nc1C(=O)NNC(=O)c1cccc(OC(F)F)c1	799414993	WMFCPCPPYOLWNP-UHFFFAOYSA-N	310.260	1.394	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)C2CCCC2)c(O)c1	793080123	QWLBQALXOTXLAU-UHFFFAOYSA-N	307.350	1.421	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)Nc1ccn(CC(F)F)n1	792326187	ILARGVNBVDDTGX-UHFFFAOYSA-N	322.279	1.340	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cccc(Cl)c1O	798316089	IYPUXTVZSFCFQK-UHFFFAOYSA-N	311.647	1.552	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc2c(OC)ccc(F)c2[nH]1	793219504	JEHMBHONULIHPB-UHFFFAOYSA-N	308.313	1.670	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H](O)c1cccc(C(F)(F)F)c1	795792867	OULAMKZZEJXVOE-SNVBAGLBSA-N	319.283	1.478	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1ccnc(O)c1	790287046	BAJKEBAHOYCKEC-AWEZNQCLSA-N	313.313	1.467	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1ccc2c(c1)OCO2)C(F)F	792015040	RYVKSHCMMFBOPA-UHFFFAOYSA-N	300.261	1.468	50	20	DDGD	
O=C(NCCOCC1CC1)NNC(=O)c1ccccc1Cl	1318334355	PLECESDJGRTOHZ-UHFFFAOYSA-N	311.769	1.711	50	20	DDGD	
O=C(CCO)NN=C1CCOc2c(Br)cccc21	1318991308	CERRGMBWFMAYBL-UHFFFAOYSA-N	313.151	1.434	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc(O)nc2cc(F)ccc12	1318768090	ADEWDJGDTXRCKZ-UHFFFAOYSA-N	322.365	1.597	50	20	DDGD	
O=C(CO[C@H]1CCOC1)NNC(=O)c1ccc(Cl)cc1F	1318986348	JYGSZHQYXPCKOV-VIFPVBQESA-N	316.716	1.046	50	20	DDGD	
O=C(CCl)N1CCN(CCCOCC(F)(F)F)CC1	1319923447	KUHJHAMBDCZWBT-UHFFFAOYSA-N	302.724	1.338	50	20	DDGD	
Cc1ccnc(NNC(=O)CNC(=O)c2ccc(C)s2)c1	1319561860	JNHPYUOTGQWBIG-UHFFFAOYSA-N	304.375	1.633	50	20	DDGD	
N#CCCn1ccc(NC(=O)C(=O)NNc2cccc(F)c2)n1	1324329792	FNISPGPHDYWWIC-UHFFFAOYSA-N	316.296	1.018	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CC=CCC1	1328540486	BIOWSAJUJWFDIO-MRXNPFEDSA-N	302.378	1.796	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCc2cc(C)on2)cc1	1321970654	BGESVGMWUNDEFA-UHFFFAOYSA-N	304.306	1.136	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1nc2c(s1)C[C@@H](C)CC2	1320106819	AXQPURKDADCARS-QMMMGPOBSA-N	312.395	1.457	50	20	DDGD	
CC#CCCNC(=O)NNC(=O)c1cncn1-c1ccccc1	1324169683	DJFWKFRSIMJOFG-UHFFFAOYSA-N	311.345	1.230	50	20	DDGD	
CO[C@H]1CC[C@@H](NC(=O)NNc2ccc3c(=O)[nH]ccc3c2)C1	1324911515	LQNGVVFVUAWZQQ-YPMHNXCESA-N	316.361	1.722	50	20	DDGD	
CCc1cc(OCC(=O)NNC(=O)C(C)(C)O)ccc1Cl	1322026262	CBIIFVIFPYRVBN-UHFFFAOYSA-N	314.769	1.200	50	20	DDGD	
CCn1c(C(=O)NNC(=O)N=c2cc[nH]cc2)cc2ccccc21	1325261602	GYIHYFYLTCDLMM-UHFFFAOYSA-N	323.356	1.945	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)[C@@H]2CCCCO2)cc1C=O	1324511956	CAGSCDGSAUSXCE-AWEZNQCLSA-N	304.346	1.446	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cc(F)ccc1OCC#C	1335885378	RHOXEMMJUYHDKB-UHFFFAOYSA-N	317.320	1.794	50	20	DDGD	
CS[C@@H]1CC[C@@H](N(C)[C@@H](C)C(=O)NNC(=O)CC(C)C)C1	1334389086	QOBUDRNCMLZENJ-YNEHKIRRSA-N	315.483	1.784	50	20	DDGD	
Cc1c(C(F)(F)F)n[nH]c1C(=O)NNC(=O)NC1CCCC1	1337043786	BFZNCWBSDHJHTC-UHFFFAOYSA-N	319.287	1.624	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNC(=O)c1ccccc1Cl	1258445236	MMXJKBAZSIULJW-UHFFFAOYSA-N	305.721	1.322	50	20	DDGD	
Cc1ccccc1C(F)(F)C(=O)NNC(=O)N1CCOCC1	1253846727	XSTVOTSWICQPGU-UHFFFAOYSA-N	313.304	1.160	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=S)Nc2ccccn2)c1C	1339130706	MPANTULJDNLNFG-UHFFFAOYSA-N	318.406	1.628	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2cccc(CCl)c2)CC1	1335944332	ARNCEIUTFMFMRZ-UHFFFAOYSA-N	310.785	1.027	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)[C@H]1CCCN(CC(F)F)C1	1330415821	WWGCQTAQFPZRKT-VIFPVBQESA-N	318.755	1.577	50	20	DDGD	
CC(=O)NC[C@H]1CN(C(=O)c2cccc(CCl)c2)CCO1	1346836551	QZXSRVNUTMPIIG-AWEZNQCLSA-N	310.781	1.403	50	20	DDGD	
O=C(NCc1cccc2c1OCC2)NNC(=O)C1CCCC1	1342094504	VXAKHHVJWJGLPL-UHFFFAOYSA-N	303.362	1.642	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ncc(Cl)cc1Cl	1357825802	IMMVGBVTWHCHDI-UHFFFAOYSA-N	303.149	1.742	50	20	DDGD	
C[C@@]1(COC(=O)CCCCNC(N)=O)C[C@@H]1Br	1519553867	SVEHYIPSVDTUGD-KWQFWETISA-N	307.188	1.542	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)[C@H](C(=O)O)C(C)(C)C)nn1	1602922848	AUEPHAAOHYNLJZ-LLVKDONJSA-N	308.382	1.964	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1ccccc1C(=O)O	1605723746	MMSMRSIELBXOHP-UHFFFAOYSA-N	314.301	1.175	50	20	DDGD	
COC(=O)NNC(=O)Nc1cccc(C(=O)O)c1OC(C)C	1606494898	PFOUQHYUNHFQFX-UHFFFAOYSA-N	311.294	1.565	50	20	DDGD	
O=C(O)CC1CC(NC(=O)NNC(=O)c2ccccc2F)C1	1601943577	QNEBFZZDMFXTHX-UHFFFAOYSA-N	309.297	1.023	50	20	DDGD	
CN(C)N(C(=O)c1ccncc1F)c1nc(CC(=O)O)cs1	1606037312	POSIUNIDBMABQW-UHFFFAOYSA-N	324.337	1.428	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2cccc(C(=O)O)c2F)CCOC1	1604577585	MYCWEQGXQHOZAG-AWEZNQCLSA-N	311.313	1.577	50	20	DDGD	
C/C(=C/c1cccnc1)C(=O)NNc1cccc(-c2nn[nH]n2)c1	1602905956	IXVNJUUUOLHIDA-FLIBITNWSA-N	321.344	1.808	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1F)N[C@H]1C[C@H](C(=O)O)C1	1574819572	NTQNLLRKEYLFEF-FKQCQYRASA-N	301.705	1.968	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2ccnc(N)c2)cc1C	1579723685	IIIWBRSEQKCNQF-UHFFFAOYSA-N	315.402	1.912	50	20	DDGD	
CN(N)C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1	1573877749	WCYKDCLSDDSXHV-MRVPVSSYSA-N	312.167	1.134	50	20	DDGD	
O=C(NNC(=O)[C@H](C(=O)O)C1CC1)c1nc2ccccc2s1	1574578243	AZFUDWBHSUUIMH-SNVBAGLBSA-N	319.342	1.168	50	20	DDGD	
C=C(CBr)CN1CC[C@@H](C(=O)OC)C[C@H]1C(=O)O	1588606318	WLGDKACRXKGDHX-ZJUUUORDSA-N	320.183	1.276	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cnn(C2CC2)c1	1582562254	MPKTUNQSUAAHDN-UHFFFAOYSA-N	310.321	1.155	50	20	DDGD	
N#CC1=CCN(C(=O)c2ccc3c(-c4nn[nH]n4)c[nH]c3c2)CC1	1581857367	ZKWPPNLXXRVYRN-UHFFFAOYSA-N	319.328	1.644	50	20	DDGD	
CC(=O)N[C@H](CCC(C)C)C(=O)NNc1ccc(C(=O)O)cn1	1589115174	FZWZDRRHRYSEKJ-GFCCVEGCSA-N	322.365	1.164	50	20	DDGD	
CO[C@@H]1CCC[C@H]1CNC(=O)NNc1ccc(CC(=O)O)cc1	1599113168	GTBVCIIOWYMZFD-GXTWGEPZSA-N	321.377	1.755	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)N[C@@H]1CCCC1(F)F	1593165280	ZRDLQKCDZDUQBR-MRVPVSSYSA-N	324.295	1.076	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)n1	1596292144	FFPBSOHYTIBODP-WDEREUQCSA-N	321.381	1.267	50	20	DDGD	
CO[C@H](C(=O)O)C(=O)NNc1ccc(F)cc1Br	1593911014	FTIKKWBZMNVKEU-QMMMGPOBSA-N	321.102	1.131	50	20	DDGD	
CC[C@H](C(=O)O)C(=O)NNc1ccc(Br)nc1	1594755603	NKBNZYKPEMUHAK-ZETCQYMHSA-N	302.128	1.398	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1ccc(F)s1	1593163087	JGJLWOFCBHLJFL-UHFFFAOYSA-N	305.298	1.219	50	20	DDGD	
COc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1-c1nn[nH]n1	1591522804	NONJRZNEYNDVQC-UXBLZVDNSA-N	310.317	1.061	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2cnc3sccn23)cc1	1776101776	YDSDUPXNWXUHIA-UHFFFAOYSA-N	314.326	1.858	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccccn2)cc1OC	5514201	LBZJODXYSIVSJK-UHFFFAOYSA-N	301.302	1.174	50	20	DDGD	
CCCNC(=S)NNC(=O)c1cc(-c2ccccc2)[nH]n1	16062912	VRSYQZBPTRYIDC-UHFFFAOYSA-N	303.391	1.596	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)Cc2cc(C)n[nH]2)cc1	17514142	XUBOLHYZLDMAHJ-UHFFFAOYSA-N	303.391	1.587	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1cccc([N+](=O)[O-])c1C	163027210	NARRJBLTBRUKBC-UHFFFAOYSA-N	308.338	1.576	50	20	DDGD	
O=C(O)COCCNC(=O)CCCC[C@H]1CCSS1	201349332	AGVMLZAREKRSOW-JTQLQIEISA-N	307.437	1.918	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCc2cccc(F)c2F)[nH]n1	153239663	WPNCENLZBOHZBG-UHFFFAOYSA-N	308.288	1.390	50	20	DDGD	
CCOC(=O)N[C@H](C(=O)NNc1ccncc1Cl)C(C)C	154636665	XABIMXREPVPMFK-NSHDSACASA-N	314.773	1.949	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cccc(=O)n1C)c1ccccc1	120256173	ZXVUGTVWCJVVOH-CYBMUJFWSA-N	313.357	1.340	50	20	DDGD	
CCc1cccc(NC(=O)C(=O)NNC(=O)c2ccncc2)c1	159848289	ZQXLQEGWGUUWRR-UHFFFAOYSA-N	312.329	1.044	50	20	DDGD	
CNC(=O)C(C)(C)CNS(=O)(=O)c1ccc(CCl)cc1	312435125	ANJKJKFAVAZUDY-UHFFFAOYSA-N	318.826	1.476	50	20	DDGD	
NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(CCl)cc2)C1	312758121	BBVUFWSVLQIBEK-LLVKDONJSA-N	316.810	1.311	50	20	DDGD	
CCOC[C@@H]1CCCN(S(=O)(=O)CBr)C1	782444945	QKAIFLWOCAFKKP-SECBINFHSA-N	300.218	1.417	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)on1	8284050	WWKFNMNKSJSQOL-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1N(C)CC(=O)NNC(=O)c1ccccc1	119981450	DAZUGGHMUPNQNY-HIFRSBDPSA-N	303.406	1.958	50	20	DDGD	
O=C(Cc1ccc(NC(=O)C2CC2)cc1)NNc1ncccn1	173325475	WLFKFPIVGIQITB-UHFFFAOYSA-N	311.345	1.511	50	20	DDGD	
Cc1ccc(Br)cc1C(=O)NNC(=O)N(C)C	173318099	ZGDSIKPGOMKJHP-UHFFFAOYSA-N	300.156	1.674	50	20	DDGD	
C=CCCCC(=O)NNC(=O)Cc1nc2ccccc2n1C	175146962	PWJMSHPXFYTRIX-UHFFFAOYSA-N	300.362	1.620	50	20	DDGD	
Cc1ccnn1-c1ccc(C(=O)NNC(=O)NC(C)C)cc1	63270299	MPTVHEOZYICHMH-UHFFFAOYSA-N	301.350	1.533	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cnn(-c2ccccc2)c1	112824238	HTQDHFGBIRYZCB-UHFFFAOYSA-N	314.345	1.060	50	20	DDGD	
CN(C)c1ccnc(C(=O)NNC(=O)c2cc3ccccc3o2)c1	175455595	KXLVIBVCDHBDQS-UHFFFAOYSA-N	324.340	1.969	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@H]2C[C@H]2F)cc1F	1349797365	DNCGLUAEPOOQGC-JGVFFNPUSA-N	301.318	1.510	50	20	DDGD	
CC(=O)NNC(=O)Nc1cccn(Cc2ccc(C)cc2)c1=O	119215874	BBBSNEDVQRGAJO-UHFFFAOYSA-N	314.345	1.378	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H](C)N1CCCCCC1	114273564	IXHCDLFCGZQVHV-ZDUSSCGKSA-N	319.405	1.721	50	20	DDGD	
NC(=O)[C@H]1CC(C(=O)NNc2ccccc2)=NN1c1ccccc1	111552190	WDIGYVRQDUCFOI-OAHLLOKOSA-N	323.356	1.250	50	20	DDGD	
O=C(CN[C@@H](c1ccccc1)c1ccccn1)NNC(=O)C1CC1	112975824	UKWMJHCWLKEHEC-KRWDZBQOSA-N	324.384	1.318	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1ccncc1)N1[C@H](C)CC[C@H]1C	174986410	LTNGIXMSYLAYQN-UPJWGTAASA-N	304.394	1.033	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)CCc2ccoc2)cc1	175522564	HEJRPKZMOLQURE-UHFFFAOYSA-N	317.345	1.480	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)Cn2ccc3ccccc32)CCO1	170927717	XKKGJSIXGUJKLV-LBPRGKRZSA-N	316.361	1.103	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCC[S@@](=O)Cc1ccccc1	178965577	ZHYSSBKPXSNHTF-QGFLDLQWSA-N	306.387	1.495	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	128607473	PWSLGACIQOSGOL-MRXNPFEDSA-N	316.361	1.389	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N1CCC[C@@H](C)C1	123502767	UECOQLCCUIAAQX-LLVKDONJSA-N	315.377	1.729	50	20	DDGD	
CCCc1cc(NC(=O)NNc2cccc(OC)n2)n(C)n1	184198742	FOMPVEQIGBYKAO-UHFFFAOYSA-N	304.354	1.925	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=O)CNc1ccc(C)cc1C	186380175	VQFHEUOJOWFYHN-UHFFFAOYSA-N	301.390	1.912	50	20	DDGD	
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NNc2cccnn2)C1	78354813	PGUYOWIKMNUUNX-ZPMVXHMNSA-N	311.411	1.183	50	20	DDGD	
Nc1c(C(=O)NNc2ccnc(F)c2)cc(F)cc1[N+](=O)[O-]	182449005	ZTVPNLJZLPROEZ-UHFFFAOYSA-N	309.232	1.607	50	20	DDGD	
Cc1cc(OC(=O)C[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-]	122324221	HLHRWEGUHGOXKD-JTQLQIEISA-N	313.331	1.633	50	20	DDGD	
Cn1c(NNC(=O)COc2ccccc2)nc2ccccc2c1=O	70905582	PNSLPHWPYMRSPZ-UHFFFAOYSA-N	324.340	1.456	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCCO2)NC1CCCC1	31027645	IQOYZWLIZMTLCO-UHFFFAOYSA-N	305.334	1.344	50	20	DDGD	
CC[C@H]1CCCC[C@H]1OCC(=O)NNC(=O)c1cc(C)n[nH]1	184922137	IMQIJOYTORLNKR-WCQYABFASA-N	308.382	1.465	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2ccc(C)cc2)n1	182402614	JJPSBUIQYWATFR-UHFFFAOYSA-N	300.318	1.480	50	20	DDGD	
CC[C@H](C)Oc1cc(C(=O)NNC(=O)c2cc(C)n[nH]2)ccn1	180935681	YSSHLQCCSGWPMW-JTQLQIEISA-N	317.349	1.365	50	20	DDGD	
Cc1nn(C)c2ncc(C(=O)NNc3ccnc(F)c3)cc12	182490544	MDAZJJIJOKFYMP-UHFFFAOYSA-N	300.297	1.568	50	20	DDGD	
CCc1ccnc(C(=O)NNc2nc3ccccc3c(=O)n2C)c1	181365364	IKPGHLBCAIWXIS-UHFFFAOYSA-N	323.356	1.648	50	20	DDGD	
CCCC(=O)N1CCC[C@H](C(=O)NNc2ccnc(F)c2)C1	182519751	JQOHELCENHGVTE-NSHDSACASA-N	308.357	1.703	50	20	DDGD	
Cc1cnccc1CNC(=O)NNC(=O)Cc1ccccc1F	188232899	JGMHUFAPHOOWNK-UHFFFAOYSA-N	316.336	1.602	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)c2ccccc2)c(F)c1	130368915	JUUOVLFDLMJDMQ-UHFFFAOYSA-N	301.321	1.967	50	20	DDGD	
CCc1ccc(OCC(=O)NNc2nccnc2OC)cc1	131749984	ARJSCNYJBFNINH-UHFFFAOYSA-N	302.334	1.570	50	20	DDGD	
N#CC1(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)CCC1	134534368	QZBINARHACWUDM-UHFFFAOYSA-N	310.313	1.796	50	20	DDGD	
O=C(CCNC(=O)c1ccco1)NNC(=O)NC1CCCCC1	192746772	XBKFQSYVQVICFE-UHFFFAOYSA-N	322.365	1.063	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)NCC2CC2)cc1OC	45459728	QCDOABQVGFGIMM-UHFFFAOYSA-N	307.350	1.448	50	20	DDGD	
O=C(COc1ccc(F)c(Cl)c1)NNC(=O)NC1CC1	49150600	FRBJQDJKAHZFPL-UHFFFAOYSA-N	301.705	1.351	50	20	DDGD	
CCC(CC)n1ccc(C(=O)NNC(=O)Cc2cccnc2)n1	269307821	GXDRXEXHGBERFQ-UHFFFAOYSA-N	315.377	1.643	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1cccc2c1OCO2	264017358	HZRUUJKEYZOJDQ-UHFFFAOYSA-N	307.350	1.682	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCS1)c1ccc(Cl)cc1O	266564337	NYFRRJABVVOTPR-JTQLQIEISA-N	300.767	1.702	50	20	DDGD	
COc1cc(CC(=O)NNc2cccnn2)cc(OC)c1OC	265582225	YNUNRBFPYLRNMM-UHFFFAOYSA-N	318.333	1.188	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H](C)CCN(C)C)cc(C#N)n1C	264928023	RNXUZQFQXZQXLP-AZZDOICSSA-N	313.405	1.569	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccn(C(C)C)n2)cc1	264987240	JKTGRVNITXWRMW-UHFFFAOYSA-N	316.361	1.612	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)n1	271552486	QVHGTZWSZNZKNR-VXGBXAGGSA-N	323.397	1.623	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1cccnc1N1CCOCC1	271216211	AEYQFKORFNYHPH-UHFFFAOYSA-N	321.381	1.117	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNC(=O)NC/C=C/C1CC1	1348062595	VAEAZWRQFDYJNK-ONEGZZNKSA-N	314.345	1.234	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C2(OC)CCC2)cc1	272779563	RRSIBIFOIHZIQZ-UHFFFAOYSA-N	306.362	1.344	50	20	DDGD	
NNC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1	371434724	XODPGWSDJJRMRO-VIFPVBQESA-N	313.304	1.130	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C2(OC)CCCCC2)c1O	274931691	LLOZTYNQQCKWED-UHFFFAOYSA-N	322.361	1.511	50	20	DDGD	
O=C(NCC[C@H]1CCCCO1)NNC(=O)c1ccccc1O	272527581	AEFPZABMOLRJJY-LLVKDONJSA-N	307.350	1.295	50	20	DDGD	
CCOCCCC(=O)NNC(=O)CSc1ccccc1O	270670593	FRBJVKSOVYCOCQ-UHFFFAOYSA-N	312.391	1.448	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1	374490633	XTUCHBDOVLJYMT-QMTHXVAHSA-N	315.370	1.063	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)c1cc2c(s1)CCCCC2)C1CC1	288135158	CNZXFMYZZGPMQN-INIZCTEOSA-N	322.430	1.939	50	20	DDGD	
CC1(C)CC[C@@H]1NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	287520225	WXYSHLFDJVXJEC-STQMWFEESA-N	319.361	1.345	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1	286338251	LWIUANFJIQWZTM-YPMHNXCESA-N	323.324	1.075	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H]1C[C@H](c2ccccc2)OC1=O	289320834	TVEBWOBPWQSPEP-NWDGAFQWSA-N	304.346	1.484	50	20	DDGD	
CS(=O)(=O)Cc1ccc(C(=O)NCC(Cl)Cl)cc1	288135654	FHIMIZVNFLXUQV-UHFFFAOYSA-N	310.202	1.765	50	20	DDGD	
COC(=O)C1(CNC(=O)NNc2cccc(F)n2)CCCCC1	286596753	ATPUACCEROBSQO-UHFFFAOYSA-N	324.356	1.970	50	20	DDGD	
COC(=O)N(C)NC(=O)CSCc1cn2cc(C)ccc2n1	286493833	WCEQPLODYAOVHO-UHFFFAOYSA-N	322.390	1.605	50	20	DDGD	
CCC(CC)[C@H](C(=O)NNc1ncccc1F)N1CCOCC1	286165358	ZMYKOECWJOMBKS-CQSZACIVSA-N	324.400	1.801	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H]1C(=O)NNc1ccc(C(F)(F)F)nn1	285661417	DGBITLUZOPZOSH-BQBZGAKWSA-N	318.255	1.138	50	20	DDGD	
CC[C@H]1CCC[C@@H]1C(=O)NNc1nc(O)c2cnn(C)c2n1	294866110	BMCMBQDTKIALOV-IUCAKERBSA-N	304.354	1.338	50	20	DDGD	
C[C@@H](C(=O)N(C)NC(=O)OCc1ccccc1)n1ccnc1	1348383317	ITEMSNQEJWILTL-LBPRGKRZSA-N	302.334	1.744	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCN1C(=O)c1cccs1)C1CC1	298131097	AMJCLDIWVNUTFX-LLVKDONJSA-N	321.402	1.300	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2c(C)ccn2C)cc1	801106682	XUURHYVJTJMZFZ-UHFFFAOYSA-N	314.345	1.042	50	20	DDGD	
COCCN(C)NC(=O)c1cnc(S)n1-c1ccccc1	293488487	ALLJMTIQAGAJHF-UHFFFAOYSA-N	306.391	1.384	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)co1	801620669	GKTZMTDZHNMCLT-UHFFFAOYSA-N	311.301	1.244	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Cn2ccc(C(F)(F)F)n2)n1	298058024	DKNIBDBDIYRKGV-UHFFFAOYSA-N	314.271	1.452	50	20	DDGD	
Cc1nccn1CC(=O)NNC(=O)C(C)(C)c1ccccc1	297888665	ROTQEQPAVKBGMC-UHFFFAOYSA-N	300.362	1.317	50	20	DDGD	
Cc1nc(C)c(NC(=O)C(=O)NNc2ncccc2F)s1	807300552	FTYKLEMYEIZDGL-UHFFFAOYSA-N	309.326	1.376	50	20	DDGD	
Cc1nc2ccnn2c(C)c1C(=O)NN(C)C(=O)OC(C)(C)C	297513194	CEZLNUGXNRCEOS-UHFFFAOYSA-N	319.365	1.858	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(C(=O)NCC(Cl)Cl)o1	297258023	DYRLLZKZXVIVJM-UHFFFAOYSA-N	315.178	1.063	50	20	DDGD	
COc1ccnc(NNC(=O)NCCSC(F)(F)F)n1	299017215	WCURZSWTCXCMFQ-UHFFFAOYSA-N	311.289	1.364	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc2occc2[nH]1	807369158	REUGRXULKVJIKH-UHFFFAOYSA-N	309.322	1.311	50	20	DDGD	
COCCC1(CNC(=O)NNc2ncc(F)cc2F)CC1	297325582	NJMAHVSPPOYXNG-UHFFFAOYSA-N	300.309	1.803	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1c(C)cccc1Cl	298646349	QALZMSSEOMFZLQ-QMMMGPOBSA-N	311.769	1.780	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccnc2c1ncn2C	807426775	VYFVQVXNJUFZEE-UHFFFAOYSA-N	311.349	1.639	50	20	DDGD	
C[C@@](O)(CCc1ccccc1)C(=O)NNC(=O)c1ccccc1	801101730	LNMJUCBKJGMSRW-GOSISDBHSA-N	312.369	1.831	50	20	DDGD	
COc1ccc(NCC(=O)NN=Cc2cc(F)ncc2F)cc1	807946286	QMDNWBZOWXHKNR-UHFFFAOYSA-N	320.299	1.931	50	20	DDGD	
Cc1ccc(CCC(=O)NNC(=O)[C@H]2CCCCO2)c(C)c1	295672448	XDRDANPXQQUHRT-OAHLLOKOSA-N	304.390	1.953	50	20	DDGD	
COc1cccc(NNC(=O)COc2cc(F)cc(F)c2)n1	810972474	UPCCFECHKHDABR-UHFFFAOYSA-N	309.272	1.891	50	20	DDGD	
CC(=NNC(=O)Cc1cn2ccccc2n1)c1ccc(N)nc1	814863939	JJNREUVAUCZMHT-UHFFFAOYSA-N	308.345	1.394	50	20	DDGD	
Cc1cccn2cc(CC(=O)NNc3ncncc3F)nc12	817079953	CJZFQBJKGWJBCW-UHFFFAOYSA-N	300.297	1.258	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2CC[C@H](C(=O)O)C[C@@H]2C)n1	814752753	BZOUWRPICJQGPJ-CABZTGNLSA-N	306.366	1.493	50	20	DDGD	
Cn1ncc2ccc(CNC(=O)NNC(=O)c3ccc[nH]3)cc21	813175208	LTUPWIWEBYGWLU-UHFFFAOYSA-N	312.333	1.046	50	20	DDGD	
COCCn1nnc2c1CCN(C[C@H](C)CBr)C2	815128927	BGNKATLKEFCKMO-SNVBAGLBSA-N	317.231	1.314	50	20	DDGD	
O=C(Cc1cccs1)NNC(=O)Nc1ccc2c(c1)OCO2	813470429	IBOXSAQQBFAYTF-UHFFFAOYSA-N	319.342	1.872	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccc([N+](=O)[O-])cc1Cl	817078983	CNYIFQLRYUYVSY-UHFFFAOYSA-N	311.660	1.934	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1ncc(C2OCCO2)s1	815001937	FBYSPIUFLRGONG-UHFFFAOYSA-N	319.346	1.161	50	20	DDGD	
CCc1cnccc1[C@@H](C)NC(=O)NNc1ncncc1F	814317145	NKEYYRBMJDQVHF-SECBINFHSA-N	304.329	1.960	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CC(O)(CC)C2)cc1	819728251	UTMDJZPCLCBRFL-NTEUORMPSA-N	300.358	1.976	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1	819880350	QRIAFYNOYVZZFN-RJCSOLBVSA-N	305.300	1.573	50	20	DDGD	
C[C@H](O)c1ncc(C=NNC(=O)COc2ccccc2O)s1	814950952	FZSRUFJAMMJDCM-VIFPVBQESA-N	321.358	1.431	50	20	DDGD	
COc1cc(C(C)=NNC(=O)c2c(C)nc3ccccn23)on1	814718112	IXHRKDOYFDBTJC-UHFFFAOYSA-N	313.317	1.793	50	20	DDGD	
CCC/C=C/C(=O)NNC(=O)C1CCN(c2ncccn2)CC1	729372959	HCJSXHNVJKFPSG-GQCTYLIASA-N	317.393	1.197	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)C(C)(C)CN1CCOCC1	822483766	SBHMNJFIEFLZIH-UHFFFAOYSA-N	321.425	1.402	50	20	DDGD	
COC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)OC(C)(C)C	492847385	YMJXRZPPKPTUJB-CYBMUJFWSA-N	323.393	1.983	50	20	DDGD	
Cc1cccc(CCNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	825832759	YTZCRLJOJLLNFO-TZMCWYRMSA-N	305.378	1.293	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCn2cccc2)cc(C#N)n1C	490726516	RSRMSMITOQIVRR-OQLLNIDSSA-N	307.357	1.730	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccn1C)N(C)C(=O)OC(C)(C)C	497165715	HNDDFTWCNPVRAX-JTQLQIEISA-N	324.381	1.042	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)CCn1cc(C)cn1	822728661	XHIAJLAUZHMXQW-UHFFFAOYSA-N	320.324	1.651	50	20	DDGD	
CN(C/C=C\C(=O)NNC(=O)c1ccccc1)CC(F)(F)F	493745523	LFEAKLYHZAOOMG-YVMONPNESA-N	315.295	1.498	50	20	DDGD	
C/C(=C\COC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C)C(=O)O	825745612	ASKALMGLLFGHMG-HHLXJUMTSA-N	313.313	1.686	50	20	DDGD	
Cc1sc(Br)nc1C(=O)NN(C)[C@H](C)CO	823928300	MHWQJWLNINRFDC-RXMQYKEDSA-N	308.201	1.171	50	20	DDGD	
CC[C@@H](C)[C@H](NC(=O)c1cc(B(O)O)ccc1F)C(F)(F)F	584984071	XMLSFPNYVQUMSY-HQJQHLMTSA-N	321.079	1.212	50	20	DDGD	
C[C@@H]1CCN(Cc2ccccc2)CC1=NNC(=O)c1ncon1	901289051	AEBFMHXDBUZESZ-GFCCVEGCSA-N	313.361	1.697	50	20	DDGD	
CC(C)OC(=O)[C@H](C)CNC(=O)[C@@]1(C)C[C@H]1Br	821912425	ZHMQHSCEICBGAN-LNLATYFQSA-N	306.200	1.864	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21)c1cc2c(s1)CCC2	905118371	RCZKPEHJJFVJFF-OXHMUOHRSA-N	304.371	1.223	50	20	DDGD	
Cc1cc([C@@H](C)NC(=O)c2cc(B(O)O)ccc2F)c(C)s1	584930954	HFHAIYZNPBCLFL-SECBINFHSA-N	321.182	1.675	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(COc2ccccc2F)on1	823935437	RVXGRDSNOMQWON-JTQLQIEISA-N	323.324	1.350	50	20	DDGD	
C[C@]1(C(=O)NCC(=O)NC2CCCCC2)C[C@@H]1Br	906453523	ZMHDKHQTVGFERL-GWCFXTLKSA-N	317.227	1.725	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1	731852663	HPLSSMXJDYJIOC-IUCAKERBSA-N	318.299	1.848	50	20	DDGD	
COc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)NCC2CC2)cc1	823804569	QJQRWABGVWHDJN-UONOGXRCSA-N	303.362	1.539	50	20	DDGD	
Cn1cc(C=NNC(=O)COc2ccccc2C#N)c(C2CC2)n1	901144227	PKMXCWRRCRLZCF-UHFFFAOYSA-N	323.356	1.698	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2C[C@H](C(=O)OC)C2)c1	824170775	FQIVTFLJVDDTQO-UMSPYCQHSA-N	321.333	1.051	50	20	DDGD	
C[C@H]1CN(C(=O)OC(C)(C)C)CCC1=NNC(=O)CN(C)C	497058505	XPVYGQFXFSFKJF-NSHDSACASA-N	312.414	1.297	50	20	DDGD	
CC(C)CN1CCN(C(=O)[C@]2(C)C[C@@H]2Br)CC1	905381369	QADGCXDOWYPQPE-WCQYABFASA-N	303.244	1.960	50	20	DDGD	
C#CC[C@@]1(C(=O)NN(C)C2CC2)CCCN1C(=O)OC(C)(C)C	496117296	CWRBBWAALYZZAA-KRWDZBQOSA-N	321.421	1.905	50	20	DDGD	
O=C(/C=C/c1ccc(Br)cc1)N1CC[C@H](B(O)O)C1	585074589	NLNXJOHKPREMGO-GQOHGMTASA-N	323.983	1.538	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNC(=O)c1ccccc1C	496010022	KOXZTWYGOUVQHI-GWCFXTLKSA-N	321.377	1.527	50	20	DDGD	
O=C(CCc1ccc(OC(F)F)cc1)N1CC[C@H](B(O)O)C1	585075298	GDESTRZQTUIUNL-NSHDSACASA-N	313.109	1.296	50	20	DDGD	
CCCCNC(=O)NNC(=O)CN(C(C)=O)c1ccccc1	900383566	WHMUYTYFTYWQPL-UHFFFAOYSA-N	306.366	1.170	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1CCCOc2cc(F)ccc21	585032162	BYTGQGRUVYLUIY-MRXNPFEDSA-N	315.153	1.509	50	20	DDGD	
CCNC(=O)NNC(=O)c1csc(Nc2ccccn2)n1	736072633	QAHFPQRXIQJPJB-UHFFFAOYSA-N	306.351	1.246	50	20	DDGD	
CCC[C@H](CNC(=O)NNC(=O)c1cccc(C#N)c1)OC	836275966	COXOYEHPAKMCOC-CYBMUJFWSA-N	304.350	1.317	50	20	DDGD	
COc1ccc(NNC(=O)NCCc2nccnc2C)nc1	836487478	PFTSPHIOIDZJQU-UHFFFAOYSA-N	302.338	1.057	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H]2CCOC2)c1C	730401731	PGFVFRJGWIMUKI-TYWAAFNRSA-N	318.373	1.990	50	20	DDGD	
COC(=O)[C@@H]1CCN(C(=O)[C@]2(C)C[C@H]2Br)[C@@H]1C	907649173	AOGFMBJAAMTSMR-MFYTUXHUSA-N	304.184	1.570	50	20	DDGD	
C[C@H]1Cc2cc(C=NNC(=O)N3CCN(C)CC3)ccc2O1	901226770	FHJGZJOZQKGJDC-LBPRGKRZSA-N	302.378	1.301	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C(C)(C)C)N1CCc2ccccc2C1	732272509	VMKZRUPQTKCQDI-GFCCVEGCSA-N	303.406	1.627	50	20	DDGD	
O=C(CSc1ccc(O)cc1)NNC(=O)[C@H]1CCCCO1	833779753	YEKCGQFLJCWWQI-GFCCVEGCSA-N	310.375	1.201	50	20	DDGD	
COCC(=O)NN=Cc1ccc(-c2ccccc2C(=O)O)o1	831541285	QYISLIVXYUTRRU-UHFFFAOYSA-N	302.286	1.741	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1c2c(nn1C)CCC2	907968784	WOYXHCPXCGADBY-UHFFFAOYSA-N	313.361	1.684	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(OCCCN(C)C)cc1	730670453	SNGFDPLFRHZVOZ-UHFFFAOYSA-N	310.354	1.410	50	20	DDGD	
COc1ccc(Br)c(C(=O)NN=C2CCOC2)c1	731927077	YZDSTKNTFXTKNV-UHFFFAOYSA-N	313.151	1.964	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)NCC(=O)O)CCN1Cc1ccccc1	833586885	HZWDTYNRBQMGAQ-GFCCVEGCSA-N	318.377	1.411	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)Cn2ccc3ccccc32)CCCCO1	837399377	UHMOIQWPGATYSB-KRWDZBQOSA-N	315.373	1.748	50	20	DDGD	
O=C(c1c[nH]nc1-c1ccccc1Cl)N1CC[C@H](B(O)O)C1	585070631	BHJYNWITINIPAX-VIFPVBQESA-N	319.557	1.419	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1csc(C(=O)OC)c1	901419263	XTJWNBIBBLPDGO-KPKJPENVSA-N	322.386	1.984	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCC(C)(F)F	836482035	QVQPMQCITPCRTE-UHFFFAOYSA-N	301.293	1.223	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1C(=O)O)c1cc2c(s1)CCCCC2	739455221	XOSVMMYNHYLZRY-NXEZZACHSA-N	322.386	1.499	50	20	DDGD	
Cc1n[nH]cc1CNC(=O)NNC(=O)c1ccc2ccccc2n1	916580674	FRTRNWJRQNRZEX-UHFFFAOYSA-N	324.344	1.411	50	20	DDGD	
N#CCN1CCC(NC(=O)NNc2cc(F)ccc2F)CC1	917311867	AZKRGDKAJHNHIX-UHFFFAOYSA-N	309.320	1.579	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])[nH]2)c1	917933551	LINLYHVDDGYTNM-UHFFFAOYSA-N	317.305	1.064	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc(C#N)cc1)C1CCC1	839499291	ZQYNDFLBFDSLNR-UHFFFAOYSA-N	300.362	1.194	50	20	DDGD	
C[C@@H]1CC(NC(=O)NNC(=O)N=c2cc[nH]cc2)C[C@@H](C)C1	836320336	YGSUQDMEEOWWKE-QWRGUYRKSA-N	305.382	1.664	50	20	DDGD	
CC[C@@H]1C[C@H]1CNC(=O)NNC(=O)COCc1ccccc1	836318121	OTUQHNPVNLGZJI-KGLIPLIRSA-N	305.378	1.580	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1cccc(NC(C)=O)c1	748254221	XALBSKKDHXLZNJ-GFCCVEGCSA-N	321.377	1.537	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccc(Cl)nc1)c1cnn(C)c1	749913473	SCXYKSFNBIPNKW-MRVPVSSYSA-N	307.741	1.033	50	20	DDGD	
O=C(NN=Cc1coc2ccccc12)N[C@@H]1CCS(=O)(=O)C1	746567330	XXPFDYTYIBUEKI-LLVKDONJSA-N	321.358	1.253	50	20	DDGD	
CC(C)(CC(=O)NNc1cnccn1)NC(=O)OC(C)(C)C	740086338	UQKUJABMUFEWRI-UHFFFAOYSA-N	309.370	1.613	50	20	DDGD	
COC[C@](C)(O)C(=O)NNc1ccc(Br)c(C)c1	748610847	STBURVHGPFFMLF-LBPRGKRZSA-N	317.183	1.598	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)[C@H]1CCCCO1)c1ccccc1C	842151669	WWADTWBDVVBDRQ-KGLIPLIRSA-N	306.362	1.399	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNC(=O)Cn1cnc2ccccc21	841376712	XOMGOJJYNMJDQP-AWEZNQCLSA-N	318.377	1.245	50	20	DDGD	
O=C(NNC(=S)NCC1CC1)c1cccc2ncccc12	849257398	ARVFLKLCMXMWCS-UHFFFAOYSA-N	300.387	1.754	50	20	DDGD	
NC1(CNC(=O)NNC(=O)Cc2ccc(Cl)cc2)CCC1	841967786	YCAXUWBESMTKJD-UHFFFAOYSA-N	310.785	1.094	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCc1cc2ccccc2[nH]1	747583430	DUGKVJRKOHJARS-UHFFFAOYSA-N	323.356	1.636	50	20	DDGD	
CCCN1C[C@H](C(=O)NNc2ccc(F)cc2OC)CC1=O	846639693	MOCZHWWCLYLCAW-SNVBAGLBSA-N	309.341	1.536	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@]1(N(C)C)CCC[C@@H](C)C1	919658248	JJABEAQWPSBHBY-CJNGLKHVSA-N	312.458	1.873	50	20	DDGD	
CCC(=NNC(=O)CNc1cccc(OC)c1)c1cnn(C)c1	741811954	IBGNANPSYGHMAL-UHFFFAOYSA-N	315.377	1.771	50	20	DDGD	
O=C(NCCN1CCOCC1)NNc1ccc(F)cc1Cl	913843840	LVWTVBQLZUAGSZ-UHFFFAOYSA-N	316.764	1.437	50	20	DDGD	
Cc1ccc(C)c2c1NC(=O)C2=NNC(=O)[C@@H]1CCO[C@@H]1C	842560330	XCKGTFIOQVESGO-GHMZBOCLSA-N	301.346	1.501	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)[C@H]3CC[C@H](C)CC3)nc21	845512833	CKXGHWQQXQJCDD-KYZUINATSA-N	304.354	1.338	50	20	DDGD	
CN(C)C[C@](C)(C=NNC(=O)c1ncccn1)c1ccccc1	841665683	POLDQNLCTLOKOM-KRWDZBQOSA-N	311.389	1.712	50	20	DDGD	
CCSc1ccccc1C(=O)NNc1nccn(C)c1=O	747941406	DBPVOJNUGJSOPH-UHFFFAOYSA-N	304.375	1.649	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1c[nH]nc1-c1cccc(Cl)c1	910166196	OJCJXEHOJZAPLW-SECBINFHSA-N	308.769	1.688	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCCCC1)c1cncnc1C	848402267	ZMZBJCXFLUCTNP-LBPRGKRZSA-N	303.410	1.747	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNc1nc(-c2cccnc2)no1	841391321	JBHJOFMSTYWDIZ-LLVKDONJSA-N	305.338	1.636	50	20	DDGD	
Cn1c(C(=O)NNc2nccn(C)c2=O)cc(Cl)c1Cl	747941862	QMQSABDQAAKFKB-UHFFFAOYSA-N	316.148	1.183	50	20	DDGD	
CC(C)CN1C(=O)C(=NNC(=O)C[N+](C)(C)C)c2ccccc21	916270698	OEYCTCWZLYLDDR-UHFFFAOYSA-O	317.413	1.216	50	20	DDGD	
COC(=O)CNC(=O)NN=C(CC(C)C)c1ccc(OC)cc1	842529846	JWHXFYXJZYZXEB-UHFFFAOYSA-N	321.377	1.918	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CNc1cccc(C(F)(F)F)c1	910166470	WTYZTAAIONLECO-VIFPVBQESA-N	305.300	1.461	50	20	DDGD	
NC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)c1cccc(Cl)c1	841946973	DBDGJKICLRXYOU-DGCLKSJQSA-N	324.812	1.802	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cnccc2C)cc1C	742033315	LEUBHXCVBAGAMN-UHFFFAOYSA-N	313.357	1.847	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1	745857115	HNMYBFZQYCBWNC-SWLSCSKDSA-N	318.421	1.676	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccn(-c2ccc(C)cc2)n1	847217266	GBJBDLUAEAAMGZ-UHFFFAOYSA-N	317.349	1.370	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1cn(C)c2ccccc12)[C@@H]1CCOC1	841617581	YWIJDAUWPRBXOH-WBMJQRKESA-N	315.373	1.945	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccccc1N(C)C(=O)C1CC1	910169412	DCNQZJIFVIODIE-LLVKDONJSA-N	305.378	1.017	50	20	DDGD	
O=C(NCCN1CCCC1=O)NNc1c(F)cccc1Cl	845484400	SBHAONWXBWLDLQ-UHFFFAOYSA-N	314.748	1.728	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H](c1ccc(Cl)cc1)N(C)C	847395687	YBDBKAMMBRCLIM-LBPRGKRZSA-N	312.801	1.683	50	20	DDGD	
Cc1ccc(F)c2c1NC(=O)C2=NNC(=O)[C@@H]1CCO[C@@H]1C	842551962	AALWFUUJTOMYMM-RKDXNWHRSA-N	305.309	1.332	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc2c(c1)CC(C)(C)O2	843791632	FLZMVLFKCNCNBH-UHFFFAOYSA-N	314.345	1.506	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)Cn2cnc3ccccc32)[C@H]1OC	841610159	ZUSQTMKQOIRGIF-GDBMZVCRSA-N	316.361	1.332	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)Cc2ccccc2F)CCN1C	745855066	RERDGSVHNCTHBN-AAEUAGOBSA-N	322.384	1.181	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCC1(N(C)C)CC1)c1ccccc1	923008444	ZONFYMDAQFVMRV-CQSZACIVSA-N	318.421	1.605	50	20	DDGD	
CO[C@H](C=NNC(=O)c1ccc2c(c1)OCCO2)[C@H]1CCOC1	841615687	DOTMMIGBDRMNHR-SWLSCSKDSA-N	320.345	1.225	50	20	DDGD	
Cc1cc(OCC(=O)NN=c2sc3ccccc3n2C)no1	920957371	NLLOYJRGMNWHHE-UHFFFAOYSA-N	318.358	1.547	50	20	DDGD	
O=C(NNC(=O)N[C@@H]1CCCNC1)Nc1cc(F)cc(F)c1	841941630	PSWCEYRZAHVVBD-SNVBAGLBSA-N	313.308	1.053	50	20	DDGD	
Cc1occc1C=NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C	853378404	XYACMJZJQYLFRJ-UKRRQHHQSA-N	316.361	1.940	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)OCC(F)(F)F)c1C	856023372	HGRQIEUGXUCNMF-UHFFFAOYSA-N	308.260	1.453	50	20	DDGD	
O=C(NNC(=O)c1ccnc(C2CC2)c1)OCC(F)(F)F	856022516	FKRYBWQUOAVLLM-UHFFFAOYSA-N	303.240	1.892	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@]1(C)COc2ccccc2O1	858111062	RQWRUEZHZSXOCI-OAHLLOKOSA-N	308.334	1.772	50	20	DDGD	
CC(=O)[C@@H](C)SCC(=O)NNC(=O)c1cccc(C#N)c1	751471362	VEYGTMSIVJEYSS-SNVBAGLBSA-N	305.359	1.030	50	20	DDGD	
CN(C[C@H](O)C1CC1)C(=O)NC[C@]1(C)C[C@@H]1Br	856953378	KWGXICAUMVDCLD-NHCYSSNCSA-N	305.216	1.572	50	20	DDGD	
COC(=O)C1CCC(=NNC(=O)Cc2csc(C)n2)CC1	754912342	YFQUCXQRYMQJOU-UHFFFAOYSA-N	309.391	1.829	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@@H](C2CC2)C1)c1cccc(F)n1	852710178	LCMDSLNFFKUSJF-LLVKDONJSA-N	306.341	1.697	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1c(C2CC2)cnn1C	853287264	UQUHBZZROIWLBY-UHFFFAOYSA-N	304.379	1.409	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@@H]1c1ccccn1	751480245	BXOLYKGJKYLOQS-DZGCQCFKSA-N	318.421	1.801	50	20	DDGD	
O=C(CO)NNC(=O)CCc1nc2cc(Cl)ccc2s1	753442172	AQVBAFQUCNQOQK-UHFFFAOYSA-N	313.766	1.022	50	20	DDGD	
CO[C@]1(CNC(=O)NNc2cc(F)cc(Cl)c2)CCOC1	853994501	OYNLUHFNELPHDI-ZDUSSCGKSA-N	317.748	1.911	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1nc(C(C)(C)C)ns1	756357663	OIVZLQLPMCFOJL-UHFFFAOYSA-N	301.372	1.025	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1ccc2nsnc2c1	753423494	XVWYZAYHPUOYLJ-UHFFFAOYSA-N	312.318	1.115	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2CC3(CC3)C2)cc1	854261247	XAERFUFLUOUYFW-UHFFFAOYSA-N	301.346	1.271	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2CCN(C(C)(C)C)C2)n1	852466222	BKWDMMXUNDOOEW-LLVKDONJSA-N	322.413	1.293	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C(C)c1cnn(C)c1	920825493	ICTAUDACTMQTNU-UHFFFAOYSA-N	302.334	1.348	50	20	DDGD	
O=C(NC[C@H]1CCCNC1=O)NNc1cc(F)cc(Cl)c1	854153552	UOBRVIHWVPUTSJ-MRVPVSSYSA-N	314.748	1.631	50	20	DDGD	
COCC(C)=NNC(=O)CCN1CCN(c2ccccc2)CC1	750916286	IWIJLFXLLUAVBR-UHFFFAOYSA-N	318.421	1.337	50	20	DDGD	
O=C(CO)NNC(=O)c1cccc(-c2c(F)cccc2F)c1	753438582	NRHJMRYSHTUAEM-UHFFFAOYSA-N	306.268	1.385	50	20	DDGD	
CCSC1(CNC(=O)NNC(=O)c2ccc(C#N)cc2)CC1	852029972	WJPYQLGQDZMICY-UHFFFAOYSA-N	318.402	1.788	50	20	DDGD	
CSc1ccccc1C(=O)NNc1ccc(C(N)=O)nn1	757398072	BUZPMKRGKWQDTO-UHFFFAOYSA-N	303.347	1.054	50	20	DDGD	
COCCC1(C(=O)NNC(=S)N[C@@H](C)C2CC2)CCCC1	855099269	VTZFGZVICYTOLH-NSHDSACASA-N	313.467	1.877	50	20	DDGD	
COC1(C(=O)NNC(=O)CSc2ccccc2O)CCCC1	754281917	ODROYSFTUVLCLB-UHFFFAOYSA-N	324.402	1.591	50	20	DDGD	
Cn1ccnc1CNC(=O)NC[C@]1(C)C[C@@H]1Br	856835299	OXNRENKXDYJAMO-KWQFWETISA-N	301.188	1.393	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H](C)c2cnn(C)c2)cc1	750234018	XZECEEZTFVKVBC-GFCCVEGCSA-N	315.377	1.092	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2nc(C)cc(C)n2)ccn1	751313407	MOUYOMGHGXLGFS-UHFFFAOYSA-N	301.306	1.032	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Nc2ccc(C3CC3)nn2)cc1	757699846	KHHIJTLBLDQCOQ-UHFFFAOYSA-N	322.328	1.692	50	20	DDGD	
CS(=O)(=O)CCCOC(=O)/C(C#N)=C\c1ccc(O)cc1	754549766	NQKUGJSVDTVSSP-XFXZXTDPSA-N	309.343	1.277	50	20	DDGD	
C[C@H]1c2nncn2CCN1S(=O)(=O)CC(C)(C)CCl	867182029	QMTGWYKPWBGDAQ-VIFPVBQESA-N	306.819	1.250	50	20	DDGD	
CCOC[C@@H]1CN(C(=O)/C(C#N)=C/c2ccc(F)cc2)CCO1	862959426	RLWOGPKNNRAWLN-IDJPSDCMSA-N	318.348	1.997	50	20	DDGD	
O=C(NNc1cccc(F)c1Cl)[C@@H]1CCCCS1(=O)=O	862507039	SGBJCAKZPGJECY-JTQLQIEISA-N	320.773	1.890	50	20	DDGD	
C[C@@H]1[C@@H](C)[S@@](=O)CCN1S(=O)(=O)CC(C)(C)CCl	866818225	UIQWNFCPUJGPPM-YHTYYEMMSA-N	315.888	1.423	50	20	DDGD	
C[C@@H](CC(=O)NN[C@@H](C)C(F)(F)F)NC(=O)c1ccccc1	862304350	ANZMLADOZNDLCS-UWVGGRQHSA-N	317.311	1.767	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1c[nH]c(Br)c1	1116073233	IXPUSOFXKPCANR-UHFFFAOYSA-N	303.160	1.521	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@H]2C[C@]23CCOC3)cc1	763727331	CETBHDAVEGBPSJ-CJNGLKHVSA-N	320.414	1.661	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cccc2nccn12	863098216	YTORHBBBQXMCBL-UHFFFAOYSA-N	308.210	1.766	50	20	DDGD	
CCC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cc(C)cs2)C1	862477518	LEZHIADQYGVNKM-LLVKDONJSA-N	323.418	1.466	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCCN1CCSCC1	768110427	RSDYLVDINPVMGN-JTQLQIEISA-N	323.300	1.961	50	20	DDGD	
COc1ccccc1C(=O)C(=O)NNC(=O)NCc1ccco1	760854891	RIEYCJNKFWJEET-UHFFFAOYSA-N	317.301	1.002	50	20	DDGD	
CCO[C@H]1CCCC1=NNC(=O)Cc1cc(O)nc(S)n1	766434728	RAKALFSNNRGEJI-JTQLQIEISA-N	310.379	1.075	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](O)[C@@H](C)c2ccccc2F)o1	866435651	CSFRLHJFEWYNQW-IINYFYTJSA-N	320.320	1.653	50	20	DDGD	
CSC[C@](C)(O)CNS(=O)(=O)CC(C)(C)CCl	866850486	BBIHZWFKLCWFOW-SNVBAGLBSA-N	303.877	1.285	50	20	DDGD	
Cn1cc(C=NNC(=O)[C@@H]2CCC(=O)N2)c(C2CCCCC2)n1	863147489	GYONJWSQOALIEC-ZDUSSCGKSA-N	317.393	1.197	50	20	DDGD	
Cc1cc(NNC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)ncn1	863874842	BSTCTFMKQGTEIF-LSDHHAIUSA-N	304.350	1.350	50	20	DDGD	
Cc1cnccc1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	769740397	DFLYWLJBRVGZQJ-LLVKDONJSA-N	317.320	1.758	50	20	DDGD	
Cc1ncn(-c2ccc(NCc3ccc(B(O)O)cc3)cc2)c1C	864038779	XRVVAFBAWUKALQ-UHFFFAOYSA-N	321.189	1.781	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCN(C(=O)C2CC2)C1	867420185	FCQIHYLUHBIDMD-UHFFFAOYSA-N	308.831	1.093	50	20	DDGD	
Cc1nc2ccnn2c(C)c1C(=O)NN=c1cc[nH]cc1Cl	768444816	WWTPXJFPRZEQMQ-UHFFFAOYSA-N	316.752	1.573	50	20	DDGD	
Cc1noc(C)c1CCNC(=O)NNC(=O)c1cccc(F)n1	1118563422	FQKJQXQOCJVCNI-UHFFFAOYSA-N	321.312	1.012	50	20	DDGD	
CC(C)(C=NNC(=O)c1c[nH]c2ccccc12)S(C)(=O)=O	1116381004	ZJZWTQQWYYHWII-UHFFFAOYSA-N	307.375	1.707	50	20	DDGD	
CCO[C@H](CC)C(=O)NNC(=S)Nc1ccccc1OC	873767271	CFUXGLJQSYPTAX-LLVKDONJSA-N	311.407	1.828	50	20	DDGD	
COc1ccc(-c2cc(C(=O)NNc3ccn(C)n3)n[nH]2)cc1	1116852286	KTRGUMMECXEARF-UHFFFAOYSA-N	312.333	1.576	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)NCC2CC2)CC(c2ccccc2)=NO1	874194177	CNYCIKYPGGXVKR-MRXNPFEDSA-N	316.361	1.310	50	20	DDGD	
O=C(NNC(=O)c1c(O)cccc1O)c1ccc([N+](=O)[O-])cc1	770382425	VWUFQZMMFJZTIC-UHFFFAOYSA-N	317.257	1.081	50	20	DDGD	
CC(CCn1cccn1)=NNC(=O)CNC(=O)c1cccs1	776769284	WZYITRVSXIPVNH-UHFFFAOYSA-N	319.390	1.257	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	875673136	AEENOHNOBIWMHM-LBPRGKRZSA-N	322.409	1.904	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CN(C)[C@H]1CCSC1	772868632	JJXQJVJWVYYISX-NSHDSACASA-N	309.439	1.480	50	20	DDGD	
C[C@H](Cc1ccccc1)n1cccc1C(=O)NN(C)C(N)=O	778419074	ZNLQAQNWOJQPFT-GFCCVEGCSA-N	300.362	1.947	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1ccn(C(F)F)n1	775693918	BOHVZSZHAPRDJQ-UHFFFAOYSA-N	321.247	1.480	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=S)NC(C)C)cc1F	1116793582	NYMIKDVYFOVNND-UHFFFAOYSA-N	312.370	1.301	50	20	DDGD	
COC(=O)COCCNC(=O)NNc1c(C)cccc1Cl	875847665	URABXMQCCXOIMC-UHFFFAOYSA-N	315.757	1.464	50	20	DDGD	
Cc1c(C(=O)NNc2nncc(N)c2Cl)cnn1CC(C)C	1116431149	DCHCZBUZUUOXHS-UHFFFAOYSA-N	323.788	1.630	50	20	DDGD	
O=C(NNc1c(F)cccc1Cl)N[C@H]1C[C@@H](C(=O)O)C1	874416111	ZNFJGFIONOECSF-KNVOCYPGSA-N	301.705	1.968	50	20	DDGD	
CCCCSCCC(=O)NNC(=S)NCCSC	770238501	ASCFCQHEANVQAR-UHFFFAOYSA-N	309.526	1.768	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@H]2CNC(=O)C[C@@H]2C(F)(F)F)c1	879122443	MHXUXRSPOBRLGG-IUCAKERBSA-N	316.283	1.148	50	20	DDGD	
COCCOCC(=O)NN=C1C[C@H]2CCCc3cccc1c32	872400982	APHNSRKEJPDJHN-CYBMUJFWSA-N	302.374	1.994	50	20	DDGD	
C=CCN(CCc1ccco1)[C@@H](C)C(=O)NNC(=O)CC(C)C	778996647	SKYXPPSKUOPEEP-AWEZNQCLSA-N	321.421	1.892	50	20	DDGD	
C[C@H](CBr)COC(=O)CS(=O)(=O)C(C)(C)C	770406963	GHUFABQJTCIWAH-MRVPVSSYSA-N	315.229	1.774	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@H](C(=O)NNc2c(F)cc(F)cc2F)C1	885151535	HIWZYHVKQCOZFH-SFYZADRCSA-N	315.295	1.839	50	20	DDGD	
Cc1ccncc1[C@H](C)NC(=O)NNC(=O)C1CCOCC1	883580340	AUMCLRZIVLKNQH-NSHDSACASA-N	306.366	1.208	50	20	DDGD	
CC[C@@H](C)c1nc([C@H](C)NS(=O)(=O)CCCCl)n[nH]1	882125858	OLIFELJFRUQGBF-BDAKNGLRSA-N	308.835	1.928	50	20	DDGD	
CC1(OCC(=O)NNC(=O)c2ccc3ccccc3n2)CCC1	773254185	AHJJUTZKQROLCX-UHFFFAOYSA-N	313.357	1.955	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NN=Cc1cncn1C	773089869	CFEBKKKSSUPWIQ-JTQLQIEISA-N	306.753	1.991	50	20	DDGD	
C[C@H]1CCCC[C@H]1CCNC(=O)NNC(=O)C1CCOCC1	883412772	OEHONFKPCUIQOX-STQMWFEESA-N	311.426	1.960	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)COC(C)(C)C)cc1C	778218551	UWXUEPUTXRXJBP-UHFFFAOYSA-N	308.378	1.645	50	20	DDGD	
O=C(CCNS(=O)(=O)CCCCl)NC1CCCCC1	881804371	CAJAVSZNULNWQQ-UHFFFAOYSA-N	310.847	1.374	50	20	DDGD	
Cc1coc(C)c1C(=O)NNC(=O)c1c(C)nc2ccccn12	785724315	XXAFOXOALBBLNB-UHFFFAOYSA-N	312.329	1.927	50	20	DDGD	
C[C@H](NS(=O)(=O)CCCCl)C(=O)N1CCCC[C@H]1C	881854709	IQSATUXPPACZTK-MNOVXSKESA-N	310.847	1.324	50	20	DDGD	
O=C(CO)NN=C1CCC[C@H]2CN(Cc3ccccc3)C[C@H]12	781125575	ZSKZGWXDXDGTNH-GJZGRUSLSA-N	301.390	1.383	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(OC2CCCC2)nc1	781681973	JLGWFSVGSCUUDQ-UHFFFAOYSA-N	306.366	1.757	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccc3nn[nH]c3c2)c1	780795495	MRLHVCYBUHSMKI-UHFFFAOYSA-N	311.301	1.501	50	20	DDGD	
O=C(/C=C/c1ccc2[nH]ccc2c1)NNC(=O)C1CCOCC1	894104260	ZKNXQLUQLCYVFK-DUXPYHPUSA-N	313.357	1.755	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)C2(C)COC2)cc1	782851172	DZYVPMKFJUHCGU-UHFFFAOYSA-N	309.391	1.439	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1noc(-c2ccc(F)cc2)n1	896292487	APZLUEAHBYSZSC-UHFFFAOYSA-N	304.281	1.437	50	20	DDGD	
CSSCCNC(=O)c1cnc2n(c1=O)CCS2	791113861	OHGGZILJYZYURK-UHFFFAOYSA-N	303.434	1.090	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C(=O)Nc1cccc(Cl)n1	793051103	OPQFXIRCBQKTQU-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CCN2C(C)(C)C)cc1	895556069	GMHZRTQFTVUTPY-AWEZNQCLSA-N	318.421	1.427	50	20	DDGD	
O=C1CC[C@H]2CN(C[C@@H](CBr)C3CC3)CCN12	701837316	GLYYMZKFMYWHIH-NEPJUHHUSA-N	301.228	1.714	50	20	DDGD	
COCC(=O)NN=C1CCC(CNC(=O)OC(C)(C)C)CC1	794918176	CGCSFTAXFAKVHK-UHFFFAOYSA-N	313.398	1.820	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)NOCC(F)F	793186772	OYDASUBRMHYQRN-UHFFFAOYSA-N	321.305	1.011	50	20	DDGD	
COc1cc(NNC(=O)COC[C@H]2CCCO2)ccc1Cl	790189291	PHHRSPGWKAKZRY-LLVKDONJSA-N	314.769	1.987	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2nccn2-c2ccccc2)n1	790149852	FTTGVXXBGOPTKR-UHFFFAOYSA-N	322.372	1.836	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc(F)c(C#N)c2)cc1	795841866	FKWSJHSKBLCUSV-UHFFFAOYSA-N	308.272	1.644	50	20	DDGD	
COc1cccc(NNC(=O)[C@H]2[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)n1	793788962	JTVOMVFAAGEULG-AMLMBLANSA-N	311.385	1.927	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1cccc(O)c1O	790641332	YVIMMNOWJLPSTG-UHFFFAOYSA-N	313.273	1.300	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	792811672	ZWETYMJIIXBTOQ-ZBEGNZNMSA-N	317.389	1.919	50	20	DDGD	
CCS[C@H]1CCC[C@@H]1NCC(=O)NNC(=O)C(C)(C)C	794604371	LRSYYGBOTZDFAB-QWRGUYRKSA-N	301.456	1.444	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cc(C)[nH]n2)cc1CC	1319814162	KKVSUDZPYCKKPD-UHFFFAOYSA-N	300.362	1.918	50	20	DDGD	
CCn1nc(C(C)C)cc1C(=O)NNC(=O)[C@@H]1CCCCO1	1328013080	HQJZNCDLVLIBSC-ZDUSSCGKSA-N	308.382	1.357	50	20	DDGD	
CC(C)n1cc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)cn1	1324410121	UZZSTRSRGGLOMY-UHFFFAOYSA-N	316.365	1.141	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)C(=O)Nc1ccsc1	1320509958	DEQRREOQNFUFRU-UHFFFAOYSA-N	323.761	1.801	50	20	DDGD	
COc1nc(Cl)c(C=NNC(=O)NCc2ccco2)n1C	1324474849	ZSRBZISODVQCJV-UHFFFAOYSA-N	311.729	1.508	50	20	DDGD	
O=C(NNc1cncc(Br)c1)[C@@H]1C[C@]12CCOC2	1320357820	IKSAXSQWDZVFGW-JQWIXIFHSA-N	312.167	1.714	50	20	DDGD	
C[C@]1(CNC(=O)c2c[nH]cc(Cl)c2=O)C[C@H]1Br	1328593969	DBCSYPDFNNHXOY-LDYMZIIASA-N	319.586	1.932	50	20	DDGD	
CC(CCn1cccn1)=NNC(=O)CCN1CCC(C)CC1	1324944444	DQXFRYPXMWKRKE-UHFFFAOYSA-N	305.426	1.887	50	20	DDGD	
CN(CC(=O)NNc1ncncc1Cl)Cc1ccccc1	1320834092	DCMWDLVAXHWOHH-UHFFFAOYSA-N	305.769	1.705	50	20	DDGD	
Cc1cc(C)c(C(=O)NN(C)C(N)=O)cc1Br	1324716776	PRENCXSQJWUWCM-UHFFFAOYSA-N	300.156	1.721	50	20	DDGD	
CC(F)(F)C1(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1	1328464396	BESGVQQDJACESI-UHFFFAOYSA-N	313.260	1.791	50	20	DDGD	
C[C@@](O)(Cc1ccccc1)C(=O)NNc1nncc(N)c1Cl	1253123939	MZQKASXIUTXMAU-CQSZACIVSA-N	321.768	1.149	50	20	DDGD	
CC(C)N1C(=O)C[C@@H](NC(=O)c2cccc(CCl)c2)C1=O	1335841076	ZVLPDCAFBBXWFV-GFCCVEGCSA-N	308.765	1.691	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1c2ccccc2nn1C)C1CC1	1331185887	DHEMPRHPGBHFRY-VIFPVBQESA-N	317.418	1.481	50	20	DDGD	
CC(C)(C)OC(=O)NC1CC(=NNC(=O)C2CCOCC2)C1	1333653333	DUKHDQRXPJHUTM-UHFFFAOYSA-N	311.382	1.572	50	20	DDGD	
COc1ccc(CC(C)=NNC(=O)C[N+](C)(C)C)c(C)c1OC	1261235356	PYQYDTJJYDCXLD-UHFFFAOYSA-O	322.429	1.753	50	20	DDGD	
Cc1ncccc1CC(=O)NNC(=O)Cc1c[nH]c2ccccc12	1345354758	POWCOTGMUKOTDY-UHFFFAOYSA-N	322.368	1.804	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-]	1347600626	OAGCVQMKAJSFFO-UHFFFAOYSA-N	324.406	1.776	50	20	DDGD	
Cc1cc(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)no1	1605713391	QAORKEASQNVNRW-UHFFFAOYSA-N	300.282	1.312	50	20	DDGD	
Cn1cc(NC(=O)NNc2cccc(C(=O)O)c2)ccc1=O	1600965856	NBJHXKXCLPHURH-UHFFFAOYSA-N	302.290	1.232	50	20	DDGD	
C[C@]1(COC(=O)[C@@H]2CC(=O)N(C3CC3)C2)C[C@H]1Br	1526044780	MVYMRDHAFGLPOR-ZDSQKVDBSA-N	316.195	1.714	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NC[C@@]1(C(=O)O)CCOC1	1601045828	QEINCXAWTPBFBX-MZTACXPWSA-N	318.304	1.340	50	20	DDGD	
Cn1cc(C(=O)O)c(NC(=O)NNc2ncccc2Cl)n1	1608101706	AEGJJUMUEXXEOX-UHFFFAOYSA-N	310.701	1.315	50	20	DDGD	
Cc1c(NNC(=O)N[C@@]2(C)CCOC2=O)cccc1C(=O)O	1607553610	XBJWXPAYGDTTAE-AWEZNQCLSA-N	307.306	1.025	50	20	DDGD	
O=C(NN=C1C[C@H]2C[C@H](C(=O)O)[C@H]1C2)[C@@H]1Cc2ccccc2O1	1601552372	SBPTYQNPKNZXMB-NYMYIZQJSA-N	314.341	1.593	50	20	DDGD	
Cc1cccnc1C(=O)NN[C@@H](C(=O)O)c1cccc(C#N)c1	1600589834	LRWCMUBMTURKJC-CQSZACIVSA-N	310.313	1.322	50	20	DDGD	
CC(C)(C)OC(=O)Nc1ccc(C=NNC(=O)C(=O)O)cc1	1603490950	BBWHRHWGZKWDLH-UHFFFAOYSA-N	307.306	1.568	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNc1ccc(C(=O)O)cn1	1601342866	BELAELBEAIZGGO-UHFFFAOYSA-N	305.265	1.441	50	20	DDGD	
Cc1nn(C)c(C)c1CC(=O)NNc1cccc(F)c1C(=O)O	1600770876	USULJTWCKWEUKE-UHFFFAOYSA-N	320.324	1.560	50	20	DDGD	
CC(=O)c1ccc(CC(=O)NNc2ncccc2C(=O)O)cc1	1602772663	QDQOHCGSGXPRKQ-UHFFFAOYSA-N	313.313	1.668	50	20	DDGD	
N[C@@H](CCC(=O)O)C(=O)NNc1ccccc1C(F)(F)F	1601173469	DDCDLKDNWMLELD-QMMMGPOBSA-N	305.256	1.341	50	20	DDGD	
C[C@@H]1SCCC1=NNC(=O)c1cccc(-c2nn[nH]n2)c1	1603957214	VJVSPSRUXFTOGJ-QMMMGPOBSA-N	302.363	1.478	50	20	DDGD	
COc1ccccc1CC(=O)NN=C1C[C@H]2C[C@@H](C(=O)O)[C@H]1C2	1610365527	YEHUYYOFYLAVPX-RAIGVLPGSA-N	316.357	1.841	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)ccc1C(=O)O	1610473681	NQYATKXDMXTPHF-JOYOIKCWSA-N	321.333	1.271	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@H]1C(=O)NN=Cc1ccco1	1549312779	CATZQODKQWXKSF-OCCSQVGLSA-N	302.334	1.631	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@H]1C(=O)NN=Cc1cncs1	1549319238	JGEWMCVYRMNVTO-YPMHNXCESA-N	319.390	1.495	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)C2(C3CCNCC3)CC2)c1	1579832850	ZAAXXBMIGJSAIL-UHFFFAOYSA-N	307.419	1.597	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CC[C@H](N)C(F)(F)F	1574049047	RTASCBWNLYLGHP-JTQLQIEISA-N	319.283	1.126	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)n1)c1ccc2c(c1)CNC2	1580737888	ZVYMYZSIOMUCKI-UHFFFAOYSA-N	316.748	1.413	50	20	DDGD	
C=C(CBr)CN(CCC(=O)O)C[C@@H]1CCCO1	1588606205	SEWZPIMQGGMAAK-NSHDSACASA-N	306.200	1.893	50	20	DDGD	
CC(C)(C)NCC(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843362729	FYKYFMGWPIZWGL-NSHDSACASA-N	319.808	1.112	50	20	DDGD	
C[C@@H](C(=O)O)[C@@H](NS(=O)(=O)CCCCl)c1ccccc1	1589467222	BBVKKYUFTUJTRA-ZYHUDNBSSA-N	319.810	1.997	50	20	DDGD	
CC(C)(C)CC(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2	1842627471	OZIJBXFEAMFXLU-NSHDSACASA-N	316.829	1.226	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)Cn1cccn1)C2	1845164350	AWXCKQVEUKZIHZ-GFCCVEGCSA-N	324.812	1.104	50	20	DDGD	
O=C(O)c1cc(C(=O)NNc2c(F)cc(F)cc2F)[nH]n1	1594779807	FSZXRAKXEZUVCC-UHFFFAOYSA-N	300.196	1.282	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1845164736	YAKMHRHMGOUARI-IUCAKERBSA-N	311.184	1.742	50	20	DDGD	
N#Cc1c[nH]c(C(=O)N2CC3(CCCN3C(=O)[C@@H](F)Cl)C2)c1	1843364932	MZTFNZQAJWEYNN-LLVKDONJSA-N	324.743	1.238	50	20	DDGD	
C[C@@]1(CNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)C[C@H]1Br	1594021795	LWHMOZQAXAGVDJ-HAYRHPOISA-N	304.184	1.777	50	20	DDGD	
C[C@]1(C(=O)NC[C@H](C(=O)O)[C@H]2CCOC2)C[C@@H]1Br	1593749117	IKFCDUPMIWXAHV-PEFMBERDSA-N	320.183	1.013	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNc1cccc(C(=O)O)c1	1594448319	QZXISSHJUFDQQY-YMTOWFKASA-N	314.345	1.917	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=Cc1ccc2oc(C(=O)O)cc2c1	1776058245	QEUHHSJXXRBPMJ-UHFFFAOYSA-O	324.316	1.569	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl)[C@H]1CCCO1	1796806082	PYFJXZRCDQWNBT-ROHXPCBUSA-N	318.776	1.338	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc(F)cc1	5558131	IFANQIPCYLPCCR-AWEZNQCLSA-N	316.288	1.427	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2ccc(Cl)nc2)c1	17198789	NQAVKXMNUSDBBY-UHFFFAOYSA-N	319.748	1.883	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(C(C)C)nc2)n1	161303106	QVICXXKCEMGIKR-UHFFFAOYSA-N	315.377	1.480	50	20	DDGD	
CCCCN1CCC(NC(=O)NNC(=O)OC(C)(C)C)CC1	158552596	FAWGOJNRFSUEFT-UHFFFAOYSA-N	314.430	1.990	50	20	DDGD	
CCCCn1ncc(C(=O)NNc2ncnc3nc[nH]c23)c1C	158739014	SKUZTAUYZUGQED-UHFFFAOYSA-N	314.353	1.415	50	20	DDGD	
COC(=O)NNC(=O)c1cnn(-c2cccc(Cl)c2)c1C	158820637	LWXNTUMURUBDLY-UHFFFAOYSA-N	308.725	1.835	50	20	DDGD	
CNc1nc(C(=O)NNC(=O)COc2ccc(C)cc2)cs1	153577246	SXCIFIIYWZBGJQ-UHFFFAOYSA-N	320.374	1.333	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccccc1Cl	154037730	ZNFGMXHAKWVOSL-UHFFFAOYSA-N	303.840	1.812	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cccc2ncccc12	154123458	BIMPBHCRQYWONV-UHFFFAOYSA-N	320.443	1.707	50	20	DDGD	
C#CCOc1ccc(C(=O)NNC(=O)c2cccc(C#N)c2)cc1	154414786	ZZUHAEOTONIPSH-UHFFFAOYSA-N	319.320	1.645	50	20	DDGD	
Cc1ccc(CCCC(=O)NNc2ccc(C(N)=O)nn2)s1	154425826	VJIFNRBWDKNXDI-UHFFFAOYSA-N	319.390	1.411	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1cccc(OCCOC)c1	208340360	AVYFGHMWSGWQOC-UVTDQMKNSA-N	305.330	1.808	50	20	DDGD	
CS(=O)(=O)Cc1ccc(C(=O)NNc2ccccc2F)o1	748057108	KZEJPVAYCAZNHS-UHFFFAOYSA-N	312.322	1.720	50	20	DDGD	
O=S(=O)(NCC1(O)CCOCC1)c1ccc(CCl)cc1	379991524	MMUVRXXMSXVQDQ-UHFFFAOYSA-N	319.810	1.245	50	20	DDGD	
CCn1nncc1C(=O)N(C)NC(=O)OCc1ccccc1	862288184	IVCMMFXVMWFFBY-UHFFFAOYSA-N	303.322	1.211	50	20	DDGD	
CC(=O)c1cccc(S(=O)(=O)NNC(=O)CC(C)(C)C)c1	103060343	CYOBYOOKEVPCTK-UHFFFAOYSA-N	312.391	1.635	50	20	DDGD	
COCCOc1ccc(Cl)cc1C(=O)NNc1cnccn1	178241300	MVSAPKHLJLNROY-UHFFFAOYSA-N	322.752	1.912	50	20	DDGD	
CC(C)(C)CCCC(=O)NNC(=O)CNC(=O)c1ccco1	103391356	XXHOJVJWIBXVNK-UHFFFAOYSA-N	309.366	1.373	50	20	DDGD	
COCCCNC(=O)NNC(=O)C[C@@H](C)c1cccc(F)c1	116181105	HUSXXDFSBQXVAV-LLVKDONJSA-N	311.357	1.686	50	20	DDGD	
C[C@H]1C[C@@H]1C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	103523938	QQXVXFIUYYVTKJ-XVKPBYJWSA-N	304.318	1.782	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)NC1CCCCC1)N1CCCCCC1	173615179	OWKFLJCMVVQJSC-ZDUSSCGKSA-N	310.442	1.914	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCc1csc(C)n1	67459307	SHIMQXLXQXTOLM-UHFFFAOYSA-N	320.374	1.604	50	20	DDGD	
C[C@H]1CN(CCCNC(=O)NNc2ccccc2)C[C@@H](C)O1	114920416	ZJUOIKOIRHOIIF-OKILXGFUSA-N	306.410	1.812	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cc3ccccc3s2)cn1	117679526	PAPKCAFJEHZGGX-UHFFFAOYSA-N	300.343	1.710	50	20	DDGD	
CCCCOCC(=O)NNC(=O)c1cc(-c2ccccc2)on1	118307868	LJCURMSDERNXCU-UHFFFAOYSA-N	317.345	1.919	50	20	DDGD	
COCc1ccccc1NC(=O)C(=O)NNc1cccc(C#N)c1	119494099	XQVOXYLWYIUXSF-UHFFFAOYSA-N	324.340	1.786	50	20	DDGD	
Cc1ccc(O[C@@H](C)C(=O)NNC(=O)NCC(F)(F)F)cc1	60414876	YOEZANAFCWNCNX-VIFPVBQESA-N	319.283	1.655	50	20	DDGD	
O=C(NNc1ncccn1)C(=O)Nc1cccc(Cl)c1F	120063216	GRGXCTYPOWHTFO-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cnc(-c2ccccc2)nc1	68200162	ZDCZRQPCFPGLPC-UHFFFAOYSA-N	321.340	1.557	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCO[C@H](C3CC3)C2)o1	129090298	OOVXHQIVNQYRBX-AAEUAGOBSA-N	307.350	1.490	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)C[C@H]1C=CCC1	125530728	MDSAGYPOCWAFAA-NSHDSACASA-N	306.387	1.988	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1nnc(C(F)(F)F)s1	183112808	DFNXOARBARUAPU-BYPYZUCNSA-N	311.289	1.756	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H](O)c1ccccc1	39988790	CBTWFWSCGLTIIW-AWEZNQCLSA-N	300.314	1.190	50	20	DDGD	
Cc1ccc(C[C@@H](C)NC(=O)NNC(=O)c2cnn(C)c2)s1	127985248	OXWQVLDLFGCISE-SECBINFHSA-N	321.406	1.365	50	20	DDGD	
CNCCCN(C)S(=O)(=O)c1ccc(CCCl)cc1	124679394	MQAPYSZSCCAHNO-UHFFFAOYSA-N	304.843	1.698	50	20	DDGD	
O=C1CCc2cc(NC(=O)NNc3ncccn3)c(F)cc2N1	120636809	NKOVEPJXXLNJTL-UHFFFAOYSA-N	316.296	1.649	50	20	DDGD	
CSCC[C@@H](C)N(C)CC(=O)NNC(=O)c1ccccc1	182668050	UAAYTGDADHLHOY-GFCCVEGCSA-N	309.435	1.521	50	20	DDGD	
C[C@@H](OCC1CC1)C(=O)NNc1nc2ccccc2c(=O)[nH]1	137225578	JWUJOVGLCLRDAI-SECBINFHSA-N	302.334	1.181	50	20	DDGD	
C[C@H](CBr)CN1Cc2ccccc2C[C@H]1C(N)=O	133594004	DKNALXJLBCOGCG-MFKMUULPSA-N	311.223	1.930	50	20	DDGD	
CC(=O)NC1(C(=O)NNc2ccccc2[N+](=O)[O-])CCCCC1	194726492	ZEBFOIUTRUPHBL-UHFFFAOYSA-N	320.349	1.877	50	20	DDGD	
Cn1ccnc(NNC(=O)Cc2ccc(F)cc2Cl)c1=O	130756052	NETQVUQZPWVSIY-UHFFFAOYSA-N	310.716	1.259	50	20	DDGD	
O=C(NNC(=O)c1cc(=O)c2ccccc2o1)c1cccnc1	45479739	ZQAXFISCINXRAJ-UHFFFAOYSA-N	309.281	1.263	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2ccnn2C)cc1	132327235	LLNURLLINPLBGZ-UHFFFAOYSA-N	304.375	1.282	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCC1CCOCC1	194833791	RIMXGHLDBZSDPB-UHFFFAOYSA-N	306.366	1.757	50	20	DDGD	
O=C(C[C@@H]1CCS(=O)(=O)C1)NNc1ccccc1Cl	133247604	ZRAPXNTYFKGOHR-VIFPVBQESA-N	302.783	1.608	50	20	DDGD	
C[C@@H](Oc1cccc2ccccc12)C(=O)NNC(=O)C(C)(C)O	192923319	INUSTJLNZYVSGT-LLVKDONJSA-N	316.357	1.525	50	20	DDGD	
C[C@H]1CCC[C@@H](NC(=O)NNC(=O)Cc2ccncc2)CC1	190973579	ZBFVPIPKKBXIRJ-GXTWGEPZSA-N	304.394	1.923	50	20	DDGD	
CCC[C@@H](C(=O)NNC(=O)N1CCOCC1)c1ccccc1	194904205	NPLYGDSPEYYEND-CQSZACIVSA-N	305.378	1.643	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cc([N+](=O)[O-])ccc1Cl	97990506	LROWNZYRVPIWGR-POHAHGRESA-N	309.709	1.918	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NNC(=O)N(C)C)cc1	255636734	HTIYAJWFVKGESD-XFXZXTDPSA-N	302.334	1.295	50	20	DDGD	
CN1CCC[C@@H]1C(=O)NNC(=O)c1c(Cl)cccc1Cl	263921404	FSKFKGKCKJRPAT-SNVBAGLBSA-N	316.188	1.849	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@H]2CCc3n[nH]cc3C2)c1	367226576	NOBCAKZIZNSTPE-VIFPVBQESA-N	316.752	1.578	50	20	DDGD	
CCCOC(=O)CCNC(=O)NNC(=O)c1ccc(C)s1	265629501	RLBYMMSMQGDDNW-UHFFFAOYSA-N	313.379	1.344	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(SC)ccc1[N+](=O)[O-]	271460173	XAVSLUTZDLSTBW-UHFFFAOYSA-N	312.351	1.623	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C2CN(C(=O)OC(C)(C)C)C2)n1	273068133	CXWFIDRQRKKYFG-UHFFFAOYSA-N	321.381	1.403	50	20	DDGD	
CN(C)C/C=C/C(=O)NNC(=O)[C@H]1CCO[C@@H]1c1ccccc1	276855366	LOFDWFRJQKFVEM-BILQUBDUSA-N	317.389	1.029	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H]2CCO[C@H](C)C2)c1	271835651	AECSFWQZIMOSRC-ZIAGYGMSSA-N	320.389	1.645	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H](C)[C@H]2CCCCO2)n1	272013655	QPDRQHRFUZEPPI-GHMZBOCLSA-N	309.370	1.377	50	20	DDGD	
COCCCOc1ccc(C(=O)N2CC=C(C#N)CC2)cn1	272690592	QECXMJZNFCMQQJ-UHFFFAOYSA-N	301.346	1.793	50	20	DDGD	
Cc1oc(-c2ccccc2)nc1C(=O)NNC(=O)C(C)(C)O	277994504	QCUVUNIFMRESAR-UHFFFAOYSA-N	303.318	1.182	50	20	DDGD	
C[C@@H]1C[C@H](CCNC(=O)NNC(=O)c2ccccc2O)CCO1	273543572	UCTDQOVJRZHQGO-VXGBXAGGSA-N	321.377	1.541	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCCC[C@H](C)CO)c1ccccc1	270526041	NLDAUKBFNITLSG-DZGCQCFKSA-N	321.421	1.919	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1cc2n(n1)CCO2	377999858	PFWXMJHODJEXMM-UHFFFAOYSA-N	323.696	1.594	50	20	DDGD	
C[C@H]1CCCN(C[C@@H](C)NC(=O)NNc2ncccc2F)C1	286885491	DOAZJYGWMWFHFG-NWDGAFQWSA-N	309.389	1.967	50	20	DDGD	
CCOCC(C)(C)CNC(=O)NNC(=O)c1ccc(C#N)cc1	288764798	ZIFDAYWLRRMZEP-UHFFFAOYSA-N	318.377	1.565	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)COc2ccc(F)cc2)CC1	283114720	XVBGUBLPQOZQES-UHFFFAOYSA-N	310.325	1.169	50	20	DDGD	
CO[C@H]1CCN(C(=O)NNC(=O)c2cccc(C)n2)[C@H](C)C1	282672084	KQQHOJFXXQNGNM-NEPJUHHUSA-N	306.366	1.244	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CCN(CC(F)(F)F)C2)nc(C)n1	280486069	GTNLRYQVUXXEGQ-JTQLQIEISA-N	317.315	1.421	50	20	DDGD	
CNC(=O)NNC(=O)c1c(Br)sc(C)c1C	281818729	MTPIPNQRABRHTL-UHFFFAOYSA-N	306.185	1.701	50	20	DDGD	
C/C=C(/CC)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	281238596	NKZUPFHRZSFCFA-XGICHPGQSA-N	303.362	1.746	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(C(=O)OC)c(OC)c1	280575865	UHDHKCKMIDFDMI-VIFPVBQESA-N	323.349	1.681	50	20	DDGD	
COCCCOc1ccc(C(=O)NNC(=O)CC2CC2)cc1	294018424	BZXGTXKARKMORG-UHFFFAOYSA-N	306.362	1.663	50	20	DDGD	
COc1cccc(C(=O)CCCC(=O)NNC(=O)NC2CC2)c1	292178405	MRFSRGXWGREFQM-UHFFFAOYSA-N	319.361	1.541	50	20	DDGD	
CSSCCNC(=O)NC[C@H](O)COc1ccccc1	807228677	WQXDMQSZUSVPCI-NSHDSACASA-N	316.448	1.737	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Cc2c(C)n[nH]c2C)c1	299101971	XSBLXNPIHYBBDL-UHFFFAOYSA-N	316.361	1.104	50	20	DDGD	
Cc1nc2ccccc2cc1C(=O)NNC(=O)c1cccn1C	807295419	PZJHOFJWVPKYMZ-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cnccc1C#N)c1ccccc1	805181499	VRAOMKAOUGAFAP-AWEZNQCLSA-N	308.341	1.908	50	20	DDGD	
Cc1ccc(-n2cc(C(=O)NNc3cccc(F)n3)nn2)cc1	804771323	RCOLKPFGQDVRER-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C[C@@H]2CCC(=O)[C@@H]2C)cc1	802058924	BCDHZBXSWLDLSS-MNOVXSKESA-N	319.361	1.853	50	20	DDGD	
CC[S@@](=O)CC(=O)NNc1ccc(Br)cc1	295381595	KODUHWWXCAODIU-MRXNPFEDSA-N	305.197	1.661	50	20	DDGD	
CN(NC(=O)c1ccc2c(c1)OCC(=O)N2)C(=O)OC(C)(C)C	297619201	KINDDBRPMZGLOF-UHFFFAOYSA-N	321.333	1.529	50	20	DDGD	
O=C(CSc1nncs1)NNC(=O)Nc1ccccc1	801984901	OBYNOVZIQVFJST-UHFFFAOYSA-N	309.376	1.483	50	20	DDGD	
Cc1csc2ncc(C(=O)NNc3ncccc3F)c(=O)n12	804212202	KREFDSQRIBAGFM-UHFFFAOYSA-N	319.321	1.355	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1[N+](=O)[O-]	294336039	SZOHYIMPSHRFEX-CABZTGNLSA-N	307.306	1.232	50	20	DDGD	
C[C@H]1CSC[C@H]1NC(=O)NNC(=O)c1c[nH]c2ccccc12	805788204	BRIVTBVRZXGEEG-TVQRCGJNSA-N	318.402	1.863	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)COC(F)F)cc1	803195037	ACDPVWGVSGDXDV-UHFFFAOYSA-N	302.281	1.145	50	20	DDGD	
CCCC(=O)N1CCC[C@H]1C(=O)NNc1cccc(Cl)n1	293790579	WTYWUFVRXUTHHT-JTQLQIEISA-N	310.785	1.969	50	20	DDGD	
N#Cc1cccc(NNC(=O)NC[C@H]2CCCS(=O)(=O)C2)c1	807581880	OWAWQILVPWYWRA-GFCCVEGCSA-N	322.390	1.009	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1cc2c(C)nn(C)c2s1	807972603	FWPSJRLBBWABOM-UHFFFAOYSA-N	316.390	1.831	50	20	DDGD	
N#C/C(=C/c1ccccc1)C(=O)OCc1ncnn1CCF	801322483	NBTKKUXFXWYCJR-JYRVWZFOSA-N	300.293	1.898	50	20	DDGD	
CCN(C)[C@H](C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)c1ccccc1	293949633	QAABAUCTGZLQQI-QEJZJMRPSA-N	319.405	1.394	50	20	DDGD	
COCC1(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)CC1	802121598	ITPUGBGGHUGOOD-UHFFFAOYSA-N	306.366	1.332	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)N2CCN(C)CC2)c(Cl)c1	807379184	UCGPELPWYONFNL-UHFFFAOYSA-N	324.812	1.179	50	20	DDGD	
CSSCCNC(=O)c1cnn(-c2ccccn2)c1N	816602981	USKGVRLDRNSQGS-UHFFFAOYSA-N	309.420	1.591	50	20	DDGD	
O=C(NNc1ncncc1F)C(=O)Nc1ccc(Cl)cc1	815763845	DFBADGFFUKGAGR-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
C=CCCn1cc(C(=O)NNc2oc(C(C)C)nc2C#N)nn1	819196708	DIFDIPMEWQALMB-UHFFFAOYSA-N	315.337	1.594	50	20	DDGD	
NS(=O)(=O)c1ccc2c(c1)C(=NNC(=O)C1CCC1)CCC2	811642585	YBRUQATYVCBNHC-UHFFFAOYSA-N	321.402	1.291	50	20	DDGD	
Nc1ccc2c(c1)C(=NNC(=O)N1CCOCC1)CCCC2	817323125	HZRZIIWRRWRYJF-UHFFFAOYSA-N	302.378	1.741	50	20	DDGD	
CN(C)c1cccnc1CNC(=O)NNc1cccc(C#N)c1	812536898	RZPPMMCSNVJBDJ-UHFFFAOYSA-N	310.361	1.846	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)[C@H]1CCCSC1	810584660	TYSYBZLVPORLNJ-JTQLQIEISA-N	313.448	1.764	50	20	DDGD	
C[C@](C#N)(CC(=O)O)C(=O)NNc1cc(F)c(F)cc1F	819848117	QDCVODBNAFGKMY-GFCCVEGCSA-N	301.224	1.552	50	20	DDGD	
COc1cc(C=NNC(=O)N=c2cc[nH]cc2)ccc1[N+](=O)[O-]	815001648	SHMQPLRIDVDBKW-UHFFFAOYSA-N	315.289	1.576	50	20	DDGD	
Cc1nccc(CCC(=O)NNC(=O)c2ccccc2F)n1	814362553	FOXQUAAVFMVRIK-UHFFFAOYSA-N	302.309	1.318	50	20	DDGD	
COc1ccc(N2C[C@H](C(=O)NN(C)C3CC3)CC2=O)cc1	819645566	NRFQXBMYPBCJQI-LLVKDONJSA-N	303.362	1.174	50	20	DDGD	
O=C(O)CSCC(=O)NNC(=O)c1ccc(Cl)cc1F	819539667	GCCHMAKSKHYTPC-UHFFFAOYSA-N	320.729	1.058	50	20	DDGD	
NC(=O)C(=O)NN=C(Cc1ccc(F)cc1Cl)c1ccoc1	814695658	LSURKUQMBJUTIO-UHFFFAOYSA-N	323.711	1.620	50	20	DDGD	
N#CC1=CCN(CCCOc2cccc(-c3nn[nH]n3)c2)CC1	826381133	YWFBENPLZMHBPG-UHFFFAOYSA-N	310.361	1.791	50	20	DDGD	
Cc1ocnc1C(=O)NNC(=O)c1cccc(OC(F)F)c1	728485968	BRFOFMAQGLMRGG-UHFFFAOYSA-N	311.244	1.659	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1C[C@@H]1Cc1ccccc1	826075922	GXXXZDXPEUCOJJ-MXAVVETBSA-N	317.389	1.373	50	20	DDGD	
COc1ccccc1-c1nc(C(=O)NN(C)[C@@H](C)CO)cs1	823965626	QPGVLZBSDGPFTL-JTQLQIEISA-N	321.402	1.776	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(Cc1ccccc1)[C@H](C)CCO	828615076	UCYVWLLJOVWDFW-CQSZACIVSA-N	321.421	1.063	50	20	DDGD	
CC(C)N(CCC(=O)NN(C)[C@H](C)CO)C(=O)OC(C)(C)C	823959923	SHBZMSXYTVSKNK-GFCCVEGCSA-N	317.430	1.366	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(C(=O)N(C)C)ccc1OC	494365343	REBZFAABDUJVJO-UHFFFAOYSA-N	324.337	1.180	50	20	DDGD	
COC(=O)N1CCC(=NNC(=O)c2ccccc2OC)CC1	491301433	AVMDCULRSMMKTE-UHFFFAOYSA-N	305.334	1.643	50	20	DDGD	
O=C(/C=C/c1ccc[nH]1)NNC(=O)c1cnn(-c2ccccc2)c1	491962637	LEPAJWCOHSIQEL-CMDGGOBGSA-N	321.340	1.675	50	20	DDGD	
CCN(CCO)NC(=O)c1cnc(Cl)c(Br)c1	823884790	JTLZDUXQTCGASH-UHFFFAOYSA-N	322.590	1.457	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)NC(C)C)c1OC(C)C	824404365	OTVQHLLUVQPZPD-UHFFFAOYSA-N	309.366	1.835	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(-n2nc(C)cc2C)nc1	490620073	RBGOTGXLYMMMGH-UHFFFAOYSA-N	304.310	1.277	50	20	DDGD	
Cc1cccc(Br)c1C(=O)NN(C)[C@@H](C)CO	823923640	UJKNETXPMZFLPN-VIFPVBQESA-N	301.184	1.715	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC([C@@](C)(O)C(F)(F)F)CC1	490880404	UVQNPKSLIYPGJA-ASCRHOAZSA-N	320.311	1.982	50	20	DDGD	
COc1ccccc1[C@H]1CCCN1CC(=O)NNC(=O)C(C)C	827661225	MDCNPRLZPZPILV-CQSZACIVSA-N	319.405	1.636	50	20	DDGD	
COC(=O)CCCN1CCC(=NNC(=O)c2ccncc2)CC1	727057745	HBCDBQIBMBMUFN-UHFFFAOYSA-N	318.377	1.216	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1ccc(Cl)o1	496502430	XFLKTSDIQQBSPP-UHFFFAOYSA-N	301.730	1.908	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1ccc2c(c1)COC2	728076545	DJDVGMXBBUTCCO-UHFFFAOYSA-N	323.312	1.919	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1ccc(F)cn1	494538338	HEPFZBIUSSMMBM-UHFFFAOYSA-N	310.329	1.586	50	20	DDGD	
COC(=O)[C@@H](CC(F)F)NC(=O)/C(C#N)=C\c1ccc(O)cc1	491133014	OIDYNHNYMHLTJE-XTOZHPGHSA-N	324.283	1.612	50	20	DDGD	
Cc1cc(NNC(=O)CC[C@H]2CC2(Cl)Cl)nc(N)n1	828377048	ZTFYPUCAOQNLQP-ZETCQYMHSA-N	304.181	1.784	50	20	DDGD	
Cc1ccncc1/C=C\C(=O)NNC(=O)c1ccc(Cl)nc1	492418919	CTECFELLWTYUSN-HYXAFXHYSA-N	316.748	1.913	50	20	DDGD	
CCN(CCO)NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1	823874828	YTDDYJIKQDLSJP-GFCCVEGCSA-N	315.414	1.025	50	20	DDGD	
C[C@@H](C[C@@H](O)c1ccccc1)NCc1ccc(B(O)O)cc1F	585033788	GEFFYLPCIZFXLD-YVEFUNNKSA-N	317.169	1.107	50	20	DDGD	
C[C@]1(C(=O)NCc2nccnc2Cl)C[C@H]1Br	908113111	NBGHEDKYWBYGRZ-XCBNKYQSSA-N	304.575	1.920	50	20	DDGD	
CC(C)(C)n1cc(-c2nc(-c3ccc(B(O)O)cc3)no2)cn1	585049381	OZCFVPMCSAUMGH-UHFFFAOYSA-N	312.138	1.035	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1)c1ccncn1	834935858	XNCLNYAKLPCAGB-RWMBFGLXSA-N	319.409	1.062	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)C[C@@H]1Br	907207904	RWNASZIKHGFDJC-RSLMWUCJSA-N	318.211	1.614	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21)c1ccc2ccccc2n1	905018687	YOSRJQKBTANMQJ-VCTAVGKDSA-N	309.325	1.221	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCC[C@@]2(O)C[C@H]3CC[C@H]2C3)cn1	490974746	OBRGQTSPXRTGAQ-KQODSRSVSA-N	314.389	1.384	50	20	DDGD	
Cn1c(C(=O)N2CC[C@@H](B(O)O)C2)ccc1-c1ccc(F)cc1	585078218	WIUJPIYYEVQULR-GFCCVEGCSA-N	316.141	1.520	50	20	DDGD	
O=C(NNc1c(F)cccc1F)c1cccc(-c2nn[nH]n2)c1	738136407	DZNLRRMGKYFQHI-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
CO[C@@H]1CCC[C@H]1NC(=O)NNc1ccc2c(=O)[nH]ccc2c1	838676985	UGWGGWSYKNULSF-ZIAGYGMSSA-N	316.361	1.722	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCC[C@H](Nc2ccccc2)C1	584964068	HBTMUZYWQNWILS-KRWDZBQOSA-N	324.189	1.083	50	20	DDGD	
CCCCOc1ccc(NC(=O)c2cccc(B(O)O)c2)cn1	584975939	GTNQDQHZZLSHAO-UHFFFAOYSA-N	314.150	1.193	50	20	DDGD	
O=C(NNc1ccc(F)cn1)N[C@@H]1C[C@H]2CCCCN2C1=O	836692741	XKNBGABYPMNOFN-GHMZBOCLSA-N	307.329	1.000	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)[C@H]1CCCCO1)N1CCCCC1	833778699	HUMJREKDQCXJFU-ZIAGYGMSSA-N	311.426	1.213	50	20	DDGD	
COc1ccc(C2(C(=O)N3CC[C@@H](B(O)O)C3)CCC2)cc1	585072160	JCAWXSPEKUWYNL-CYBMUJFWSA-N	303.167	1.192	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCC2	730576872	MFIRHBDNKPAHHK-OAHLLOKOSA-N	320.414	1.450	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2[C@@H](C)CCC2(C)C)n1	832565300	SARNRTWUZTYZLD-NSHDSACASA-N	324.450	1.404	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNc1ncc(Cl)cc1Cl	839729475	WMUJDPLHETZDOE-QMMMGPOBSA-N	319.192	1.979	50	20	DDGD	
CC1(C)CN(C(=O)c2ccc(B(O)O)c(F)c2)[C@H]2CCC[C@@H]21	584995246	TUPZCOZHSZNHHI-FZMZJTMJSA-N	305.158	1.156	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H]2C[C@@H](OC)C23CCC3)n1	838767423	NVIIVRVPUJLTAV-WDEREUQCSA-N	321.381	1.377	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(-c2ccncc2)on1	833256396	NEUKMARETDNHFY-GFCCVEGCSA-N	316.317	1.067	50	20	DDGD	
CC(C)c1ccc(OCCC(=O)N2CC[C@H](B(O)O)C2)cc1	585075835	JOWZEEHLWIRRQX-AWEZNQCLSA-N	305.183	1.654	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNC(=O)C(C)(C)c1ccccc1	732290286	MNUWJRFDMOYDIP-AWEZNQCLSA-N	303.406	1.596	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)C1CCC(C(=O)O)CC1	833763818	HVSHTOAZVSNCAS-UHFFFAOYSA-N	318.373	1.658	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H](NC(=O)O)C(C)C)n1	830763657	CCKNLIVNLNSLKG-VIFPVBQESA-N	301.734	1.174	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cc(C)cc(C#N)c1	835330453	MGGOKNIETQWNAW-UHFFFAOYSA-N	309.416	1.933	50	20	DDGD	
C#CCOc1ccccc1CNC(=O)NNC(=O)C1CCCC1	734216852	ZQOPVHIZLOXERX-UHFFFAOYSA-N	315.373	1.719	50	20	DDGD	
C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NNc1cccc(C(=O)O)c1	833627429	SARSKCQUFYSKAV-HZMBPMFUSA-N	318.377	1.494	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2ccc(C(=O)O)cc2)ccn1	731562167	OOFKGEQDSVYJHX-UHFFFAOYSA-N	312.329	1.610	50	20	DDGD	
Cc1cccc(OC[C@@H](C)NC(=O)NNC(=O)C2CCC2)c1	732243620	ZIJHNVJHNAPVLB-GFCCVEGCSA-N	305.378	1.893	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCC2(C(=O)O)CCCC2)n1	832880234	LMADYWYDGDZRQI-UHFFFAOYSA-N	307.354	1.365	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNc2ccc(C(=O)O)cn2)no1	833446645	HKBJPKQGODFJOQ-UHFFFAOYSA-N	304.306	1.822	50	20	DDGD	
CCCCCCO[C@@H](C)C(=O)NNC(=O)[C@@H]1CCCCO1	839777474	DYESSKVMWUVKHN-STQMWFEESA-N	300.399	1.688	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2cc(Cl)cc([N+](=O)[O-])c2O)cn1	735414396	GFQOOYRVWPJLTR-UHFFFAOYSA-N	323.696	1.451	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1nc(C2CC2)cs1	831127252	HUNKSCZXGPBRDG-APPZFPTMSA-N	310.379	1.598	50	20	DDGD	
C[C@H](C(=O)NCC(Cl)Cl)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	837651873	RDXVRKLPKGGFSA-VGMNWLOBSA-N	321.204	1.470	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc2ncccc2c1)C1CCC1	741657618	UXOGLNCIYDDYBC-UHFFFAOYSA-N	305.359	1.344	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H]2C[C@H](C)O[C@@H]2C)c1	840433900	MVGNBQPCGTZLAK-LOWVWBTDSA-N	321.377	1.913	50	20	DDGD	
CC(C)(C)[C@H]1CCCN(C(=O)NNC(=O)c2ncccn2)C1	841591765	FYHUOYSEEIWOSB-NSHDSACASA-N	305.382	1.589	50	20	DDGD	
COc1ccc(NCC(=O)NN=Cc2cn3ccccc3n2)cc1	918708042	HJJGVIBLIJKJHI-UHFFFAOYSA-N	323.356	1.905	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CNC(=O)C2CC2)c1	918689199	QSBSETKGNSUCEM-UHFFFAOYSA-N	320.418	1.147	50	20	DDGD	
C[S@@](=O)c1ccc(C(=O)NNC(=S)NC(C)(C)C)cc1	849210692	IPJDZFBIXIDBQP-HXUWFJFHSA-N	313.448	1.331	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)Cc2ccccc21	744384777	HQSXPSCFGFULKT-GFCCVEGCSA-N	303.406	1.799	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc2cccc(F)c2o1	843652000	GWDZXSQCOHGDKE-WPRPVWTQSA-N	306.293	1.758	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)CC2CCCC2)cc1	746387239	IYEFGRQVWDPBSO-UHFFFAOYSA-N	303.406	1.878	50	20	DDGD	
Cc1cccc(-n2cc(C=NNC(=O)C(C)(C)O)c(C)n2)c1	844591857	WBYHSTQTRXPRGI-UHFFFAOYSA-N	300.362	1.710	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](C)Cc2cnc[nH]2)c1	847693693	VHRWGCKWPFOWBJ-JTQLQIEISA-N	302.334	1.518	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1C#N)c1cnc(C)nc1C	741455396	BSSXQODRMPUFKP-UHFFFAOYSA-N	323.356	1.884	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cccc(OC[C@H]2CCCO2)c1	910174580	GCXADTYXUXKGTQ-IUODEOHRSA-N	308.378	1.202	50	20	DDGD	
CCCc1csc(NC(=O)NNC(=O)c2ncccn2)n1	841674174	DPXVQLLQBFIZOA-UHFFFAOYSA-N	306.351	1.352	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@@H]1CCc2ccccc2O1	840444427	BAZVRNBCVHPNEV-JTQLQIEISA-N	317.267	1.273	50	20	DDGD	
Cc1ncc2c(n1)CC[C@@H](NC(=O)NNC(=O)C(C)(C)C)C2	916313993	KACVBRCNTAQGML-LLVKDONJSA-N	305.382	1.019	50	20	DDGD	
C/C(=C\C(=O)OCC(=O)NNC(=O)c1ccccc1)C(C)(C)C	745598798	ZHFVYKVLBWPUET-ZRDIBKRKSA-N	318.373	1.983	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)C1=NO[C@H](c2ccccc2)C1	919685997	XTIHZGLPGBOTDJ-AWEZNQCLSA-N	310.313	1.360	50	20	DDGD	
CC[C@@]1(C(=O)NNc2ccccc2S(C)(=O)=O)CCCN1	843437208	QWKBCQALYLEKEH-AWEZNQCLSA-N	311.407	1.065	50	20	DDGD	
O=C(Cn1cccnc1=O)NNc1ccc(Cl)cc1Cl	748008255	RJIIAZNEWRLLFJ-UHFFFAOYSA-N	313.144	1.693	50	20	DDGD	
Cc1ccc(CCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(C)c1	843640090	BBDLGFNBYYJZBO-ZFWWWQNUSA-N	304.390	1.808	50	20	DDGD	
O=C(NNC(=S)N[C@H]1CCc2ccccc2C1)C1CCC1	742999336	QTVYNDGYBMAKCD-AWEZNQCLSA-N	303.431	1.839	50	20	DDGD	
O=C(NN=Cc1cccc(Br)c1)C(=O)NC1CC1	744818483	YHPATZYZRSANJH-UHFFFAOYSA-N	310.151	1.178	50	20	DDGD	
CCOc1ccc([N+](=O)[O-])cc1C=NNC(=O)N1CCOCC1	748586611	XMAUJCHSHPVXKZ-UHFFFAOYSA-N	322.321	1.369	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccccc1Cn1cccn1	746167831	ZPAKEARFCCKDAU-UHFFFAOYSA-N	313.361	1.285	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(Cl)cc2)CCN1	841988351	QUAYNUORQRPPII-SKDRFNHKSA-N	310.785	1.425	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H]1CS[C@H](C)C1	840418990	NHRJTWQOWAXPQX-NXEZZACHSA-N	309.391	1.533	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H](NC(=O)NNc2ccc(F)c(F)c2)C1	924161121	LLKJVKVUIKIWLL-BDAKNGLRSA-N	313.304	1.933	50	20	DDGD	
O=C(NNC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccncc1	751282881	RPUCGOJYUQIDBD-UHFFFAOYSA-N	304.237	1.204	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2cc[nH]n2)cnn1C1CCCC1	855357076	ZPKFHPCIAZQLFM-UHFFFAOYSA-N	316.365	1.359	50	20	DDGD	
CC(C)CCOc1ccc(C(=O)NNC(=O)c2cn[nH]c2)cc1	920415151	HTKYKTQXHCSXRZ-UHFFFAOYSA-N	316.361	1.909	50	20	DDGD	
O=C(NNC(=O)c1csc(NC2CC2)n1)OCC(F)(F)F	856022991	TZPOVDVALKAENZ-UHFFFAOYSA-N	324.284	1.651	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)Cc2ncc[nH]2)cc1	854207744	YIVACWLQUISDFV-UHFFFAOYSA-N	300.362	1.711	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=C[C@H]1CCc2ccccc21	755753568	LBSONLUVMDGRMZ-LLVKDONJSA-N	312.329	1.262	50	20	DDGD	
C[C@]1(CN[C@H](C2CC2)[C@H]2CNCCO2)C[C@H]1Br	857253133	HDWBBFYJEAHIIR-FDYHWXHSSA-N	303.244	1.517	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CN(CC)[C@@H](C)C#N)cc1C	852644220	LHKZOAFZQVLMNA-NSHDSACASA-N	322.434	1.614	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2F)C1	855623248	XDSJDOKLYWTAQY-VIFPVBQESA-N	324.312	1.436	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1cc(C(F)(F)F)nn1C	853008691	WXEIQXNKAYQQIW-XBXARRHUSA-N	308.285	1.195	50	20	DDGD	
COc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)[C@H]2CCCCO2)cc1	854683886	WCVAVXMXDHCVFZ-RRFJBIMHSA-N	318.373	1.515	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cc(C(F)(F)F)nn1C	853277892	ZFLYKSVHXZREIM-UHFFFAOYSA-N	319.331	1.621	50	20	DDGD	
Cn1ccnc(NNC(=O)c2ccc(Cl)c(C#N)c2)c1=O	758309827	JXVYJVAARIPJTG-UHFFFAOYSA-N	303.709	1.062	50	20	DDGD	
CCn1nccc1NC(=O)NNC(=O)COc1ccc(C)cc1	757903506	WHBUMRFDRNHENC-UHFFFAOYSA-N	317.349	1.443	50	20	DDGD	
O=C(CSCC(F)(F)F)NNC(=O)OCC(F)(F)F	856021481	GYZWAHKJNWJXSJ-UHFFFAOYSA-N	314.207	1.602	50	20	DDGD	
CNS(=O)(=O)C[C@H]1CCCN1/C(=C/C#N)c1ccccc1	750800657	GXQLWRHWQBLQOC-UWZYDCLUSA-N	305.403	1.565	50	20	DDGD	
CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)NNc1ncccc1F	852693141	FYHNZQFOIJBDKU-NHYWBVRUSA-N	324.356	1.969	50	20	DDGD	
C#CC[C@H](CCOC)NC(=O)NNC(=O)Cc1ccccc1F	859021442	CBQRBKFNKHJTLQ-CYBMUJFWSA-N	321.352	1.127	50	20	DDGD	
CCSC1(CNC(=O)NNC(=O)c2ccccc2OC)CC1	852086878	WVHRMTFJEZLYAF-UHFFFAOYSA-N	323.418	1.925	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN(C1CC1)C1CC1	859626344	CKUDDYPVYYEETO-UHFFFAOYSA-N	301.390	1.312	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCC[C@@H](C)N(C)C)cc(C#N)n1C	855410854	JZMXFJWUWFZRKE-PWDRSIHYSA-N	313.405	1.569	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccnc(N(C)C)c2)nc1	759739972	VBVAMUZHIALRAP-UHFFFAOYSA-N	315.333	1.086	50	20	DDGD	
CC[C@H](CN1CCOCC1)NC(=O)NNc1ccc(C)c(F)c1	925613942	VHCJNQXSGLSBRT-CYBMUJFWSA-N	324.400	1.871	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C(F)(F)CC)cc1OC	854237054	RQVOWPHERWHESS-UHFFFAOYSA-N	316.304	1.900	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cccc(C#Cc2ccccc2)c1	755612143	MJKYRMPHWJSAKY-UHFFFAOYSA-N	323.352	1.886	50	20	DDGD	
COC[C@H](C)OC(=O)/C(C#N)=C\c1cc(C(F)(F)F)nn1C	853000464	BJVPJQQSSBCDAY-ZKUGPGMGSA-N	317.267	1.924	50	20	DDGD	
COC(=O)N[C@H](C(=O)NC[C@]1(C)C[C@H]1Br)C(C)C	857396265	ADTHTOAXAIPOPQ-PTRXPTGYSA-N	321.215	1.657	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cnc2n1CCCC2)C1CC1	855100313	ZHZLMJNXHQQCNU-VIFPVBQESA-N	307.423	1.127	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2ccccc2-n2ccnn2)c1	752626594	MJKXLLSFJQNHQB-UHFFFAOYSA-N	304.313	1.896	50	20	DDGD	
Cc1ccc(C)c(-c2cc(C(=O)NNC(=O)C(C)(C)O)n[nH]2)c1	756880144	QQKGWBYTIVNSKL-UHFFFAOYSA-N	316.361	1.225	50	20	DDGD	
O=C(NN=Cc1cnc2ncccn12)[C@@H]1COc2ccccc2O1	755485354	YCLMZVIJXFMQED-AWEZNQCLSA-N	323.312	1.019	50	20	DDGD	
CC(C)(C)c1csc(NC(=O)NNC(=O)Cc2cc[nH]n2)n1	755430089	OBUOLJAIVAGGHX-UHFFFAOYSA-N	322.394	1.559	50	20	DDGD	
CCCNC(=O)NNC(=O)C[C@@H]1CC(=O)Nc2ccccc21	930791439	NOERHDCLTPVTNK-JTQLQIEISA-N	304.350	1.243	50	20	DDGD	
C[C@@H](NNC(=O)[C@H]1CCN(CC(F)(F)F)C1)C(F)(F)F	862317696	LTPIWAZOAZTTRE-RQJHMYQMSA-N	307.238	1.442	50	20	DDGD	
O=C(NN=C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(-n2cnnn2)cc1	762418632	QRNDEDMCMYIKDI-UBHSHLNASA-N	310.361	1.814	50	20	DDGD	
CSC1CCN(C(=O)NNC(=O)c2cccc(C#N)c2)CC1	868209450	HPGSZVNDOCFQPT-UHFFFAOYSA-N	318.402	1.740	50	20	DDGD	
CCCCS(=O)(=O)CC(=O)NNc1cc(C)ccc1F	935023463	MCHOXXLVXXRIPI-UHFFFAOYSA-N	302.371	1.792	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1sc(C)cc1C	867162261	JDUPOUNYZORGOK-UHFFFAOYSA-N	303.478	1.837	50	20	DDGD	
CCC(=NNC(=O)CNC(=O)c1cccnc1)C1CCOCC1	763192422	FWXHZECIECNYKM-UHFFFAOYSA-N	318.377	1.120	50	20	DDGD	
CC[C@@H]1C[C@H](CC(=O)NNC(=O)Cc2cc(C)[nH]n2)CCO1	869013907	BHJRDFGPQSUTFX-DGCLKSJQSA-N	308.382	1.003	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1csc(Cl)c1Cl	761827300	PHTBHLZVRPZPBL-UHFFFAOYSA-N	310.162	1.861	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	769199156	ATBXCXOEDROXGQ-XXINRUCKSA-N	303.337	1.814	50	20	DDGD	
O=C(NNc1c(F)cc(C(=O)NC2CC2)cc1F)c1cn[nH]c1	764335513	RFUWUPXJVRBJHD-UHFFFAOYSA-N	321.287	1.337	50	20	DDGD	
C[C@@H](NNC(=O)c1cccc(NC(=O)N(C)C)c1)C(F)(F)F	862313615	KRBKYUNAUROJSY-MRVPVSSYSA-N	318.299	1.965	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(F)c(Cl)c1)N1CCN(C)CC1	863080456	BKVXCROYDUJMEX-JTQLQIEISA-N	314.792	1.558	50	20	DDGD	
COc1ccc(NCc2ccccc2B(O)O)c2cccnc12	864025134	FCYFTYWSINVEOI-UHFFFAOYSA-N	308.146	1.535	50	20	DDGD	
CNc1ccc(Cl)c(C(=O)NNC(=O)NCC(F)(F)F)c1	861515113	OYTRZAIMVXUSPR-UHFFFAOYSA-N	324.690	1.888	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2CCCNC2=O)cc1	864485516	URQMYJXITNRYKN-CYBMUJFWSA-N	317.389	1.271	50	20	DDGD	
C[C@@H](NNC(=O)c1c[nH]c(Br)c1)C(F)(F)F	1118882304	OTFDKUDHONNYKI-SCSAIBSYSA-N	300.078	1.962	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)NNc1cc(Cl)ccc1F	871272380	RFYQDBCQIZKJTB-UHFFFAOYSA-N	322.789	1.993	50	20	DDGD	
CN1C[C@H](NC(=O)NNc2cccc(F)c2Cl)CC1=O	875349366	CFJBTLJVJWNTAT-SSDOTTSWSA-N	300.721	1.336	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cnn2ncccc12	765478712	DYFAASSYXPBVGN-UHFFFAOYSA-N	311.301	1.273	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)c1nc2ccccc2s1)C1CC1	871939060	LFYYWXRTMAOQSI-NSHDSACASA-N	305.359	1.482	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1)c1cn(C)cn1	872337095	UFHSHEBRDXXXHH-JHJVBQTASA-N	321.425	1.006	50	20	DDGD	
CCCNC(=O)NN=Cc1ccc(OC)c(Cn2cccn2)c1	872343935	BJNWMQBYHBUXTJ-UHFFFAOYSA-N	315.377	1.983	50	20	DDGD	
C#CCO[C@H](C)C(=O)NNC(=S)Nc1ccc(C)cc1C	873760985	MHQRCOXUCMHPKT-GFCCVEGCSA-N	305.403	1.659	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)CN1CCCC1	873769119	KHVPLHVADAQVGO-UHFFFAOYSA-N	308.407	1.109	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNC(=S)Nc1cc(C)ccc1C	873754256	IJCQUNPTRZJBSW-NSHDSACASA-N	322.434	1.536	50	20	DDGD	
CC(=NNC(=O)c1ccc(-n2cnnn2)cc1)[C@H]1CCCOC1	779761085	HWCZJJSTBQCTOW-ZDUSSCGKSA-N	314.349	1.195	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)NC1(C2CC2)CCOCC1	1117128376	BLPLHTIWSKATPW-LBPRGKRZSA-N	311.426	1.117	50	20	DDGD	
CC(=O)N(c1ccccc1)c1nc(C=NNC(=O)CO)cs1	776781083	XCJXVDQEJIHNDQ-UHFFFAOYSA-N	318.358	1.270	50	20	DDGD	
O=C(/C=C/c1ccc(O)c(O)c1)NNC(=O)c1ccccc1F	779491800	YMICAUHFPLFIAT-SOFGYWHQSA-N	316.288	1.711	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(F)c(NC(=O)OC)c1	878574924	WABQESZRCQQQQK-UHFFFAOYSA-N	314.317	1.619	50	20	DDGD	
O=C(C=C1CCSCC1)NNC(=O)COc1ccccc1O	771662268	RKSNSGDQFICEBJ-UHFFFAOYSA-N	322.386	1.372	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(F)c(Cl)c1	772209641	OHYUGKJVXXEKSN-SSDOTTSWSA-N	316.716	1.582	50	20	DDGD	
C[C@H]1CN(C(=O)C2CCC(Cl)CC2)C[C@@H](C)S1(=O)=O	1123786505	GFABOYAMBWMHOA-ZYANWLCNSA-N	307.843	1.818	50	20	DDGD	
COCCC[C@H](C)C(=O)NNC(=O)c1ccc(OC)c(OC)c1	777878523	XWNJOHSJEMULCZ-NSHDSACASA-N	324.377	1.528	50	20	DDGD	
BrC/C=C\n1cc(CCCN2CCOCC2)nn1	881296090	YMIRFYXATGTKNQ-KXFIGUGUSA-N	315.215	1.409	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)c1C	1123781042	PJRRDMLPOYPLMI-ZLKJLUDKSA-N	319.361	1.728	50	20	DDGD	
COc1cc(C(=O)NNC(=O)NCCC#N)ccc1OC(C)C	787358506	FASDVWZDYSXACY-UHFFFAOYSA-N	320.349	1.340	50	20	DDGD	
CC[C@H](Cc1cccc(C)c1)C(=O)NNC(=O)c1cccnn1	882056100	JZXCYWCZUPWHIC-CQSZACIVSA-N	312.373	1.815	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)Nc1cc(=O)n(C)cn1	888503071	WLFVHTBIRJJRPT-UHFFFAOYSA-N	301.350	1.800	50	20	DDGD	
CC(=O)Nc1ccc(C(C)=NNC(=O)N2CCOCC2)cc1	781587242	BVAADEFVWWQLFO-UHFFFAOYSA-N	304.350	1.411	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cccc3cc[nH]c23)ncn1	783948713	RDYQQMFCKIGMNT-UHFFFAOYSA-N	310.317	1.348	50	20	DDGD	
CC[C@@H](Cc1ccccc1)C(=O)NNC(=O)C1CCOCC1	883063102	DAHKTJZLGPXFSB-AWEZNQCLSA-N	304.390	1.829	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)NC[C@@H]2C=CCC2)cc1	883832785	LLRNRTRPFNXKTP-GFCCVEGCSA-N	319.361	1.371	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(Br)nc1OC	789382029	MMSBVWXWMKZJDP-UHFFFAOYSA-N	317.143	1.415	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCC(=NNC(=O)CNc2ccccc2)C1	788408060	PSEMNBRVGXKGSB-AWEZNQCLSA-N	323.418	1.558	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)Cc2cccc3ccccc23)CO1	784038688	JPUJBYYEIOABSV-DOMZBBRYSA-N	312.369	1.955	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCCCCNC(N)=O)c1	780791199	GGUYCRPISPGJOB-UHFFFAOYSA-N	322.365	1.145	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1cc(Br)ccc1O	785460100	FPVJSJJRUVVOST-UHFFFAOYSA-N	301.140	1.376	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)CCCCc1cnn[nH]1	788184388	KRBJEAQQUYGTCI-UHFFFAOYSA-N	307.329	1.809	50	20	DDGD	
CNC(=O)CCCC(=O)NNC(=O)CSc1ccc(C)cc1	780173698	HVHDHXNZBXILST-UHFFFAOYSA-N	323.418	1.151	50	20	DDGD	
CN(C)[C@@H]1CCCC(=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)C1	788420243	TWKZDNITMZDYBN-CYBMUJFWSA-N	319.365	1.767	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1ccc(N2CCCCCC2)cc1	899127951	PZAPCXCPXGGZOA-UHFFFAOYSA-N	300.366	1.942	50	20	DDGD	
O=S(=O)(NC[C@H]1C[C@@H](O)C1)c1ccc(CCCl)cc1	720908431	YVHNAXQWPGTYRG-TXEJJXNPSA-N	303.811	1.517	50	20	DDGD	
COc1cccc(C2(C(=O)NNC(=O)c3c[nH]nc3C)CC2)c1	796248581	RYJIWHFCRBANEO-UHFFFAOYSA-N	314.345	1.220	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNC(=O)c1cc2c(s1)CCC2	791067495	QGRPEPFMRNFFJA-LLVKDONJSA-N	305.403	1.983	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc3ccccc3c(=O)o2)o1	797736521	WEOWTRSRUBCMMG-UHFFFAOYSA-N	312.281	1.769	50	20	DDGD	
Cc1ccc(-c2nnn(CC(=O)NNc3ncccc3C)n2)cc1	791221395	UHCBMVQNEFXJBQ-UHFFFAOYSA-N	323.360	1.495	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)CC(F)(F)F)ccc1C	790556781	LYNBKFWFZPQXAD-UHFFFAOYSA-N	302.252	1.911	50	20	DDGD	
CSSCCNC(=O)N1CC(=O)N(CC(F)(F)F)C1	790881245	WACCRMJXEHCGGY-UHFFFAOYSA-N	317.358	1.371	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)COCc1ccccc1	793537723	CLYAEDXWUKCZFZ-DOMZBBRYSA-N	308.378	1.412	50	20	DDGD	
CO[C@@H]1CCC[C@H](CC(=O)NNC(=S)NC(C)(C)C)C1	798124573	ZRKWPUFNOWEICE-WDEREUQCSA-N	301.456	1.876	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1ccc(Br)cn1	794488829	MTNGMMSRLXYILP-UHFFFAOYSA-N	320.150	1.788	50	20	DDGD	
O=C(NN=C(CO)c1ccc(F)cc1F)c1ccc(O)c(O)c1	794557016	NPQWGUKKJNBTAJ-UHFFFAOYSA-N	322.267	1.502	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N	794908307	JLRHFBDDOHZEOA-UHFFFAOYSA-N	323.360	1.558	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C1CC[C@H](C)C[C@H]1n1cncn1	794514761	NEHJBHOXYKZZFF-TVQRCGJNSA-N	301.354	1.457	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)c1cccc(OC)c1O	795011120	DIPAVMAMCAZAMI-ZANVPECISA-N	310.350	1.223	50	20	DDGD	
CCOC(=O)c1ccc(C=NNC(=O)c2ccc(O)c(O)c2)o1	794557893	BDBGBEWQTVEPQV-UHFFFAOYSA-N	318.285	1.631	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](C)CCC(=O)OC(C)C)nn1	792304521	OZFIRYRYFYMANM-JTQLQIEISA-N	309.370	1.531	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCSCC[C@H]1C	794570984	UKSDGDLTWVLUGX-NEPJUHHUSA-N	301.456	1.396	50	20	DDGD	
CCC[C@H](CCCS(C)(=O)=O)C(=O)NNc1ccccn1	790014310	UFABBDSWQFYLRS-GFCCVEGCSA-N	313.423	1.766	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53	793207807	SIATVRMVOOWFOT-RBNFFJILSA-N	301.390	1.121	50	20	DDGD	
Cn1nncc1C(=O)NNc1cc(C(F)(F)F)ccc1F	798985664	NPQBOKNKENUUOP-UHFFFAOYSA-N	303.219	1.730	50	20	DDGD	
O=C(CO)NN=Cc1ccc(OC(F)F)cc1OC(F)F	1319971269	SCCYCCQBUGIPBL-UHFFFAOYSA-N	310.203	1.332	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cccc(Br)c1O	1319724612	WMEWJUSFONMORR-UHFFFAOYSA-N	316.155	1.507	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCc2ccco2)cc1	1317850907	JWGMKMYZTTZFMS-UHFFFAOYSA-N	303.318	1.475	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C2CCNCC2)ccc1Cl	1329112493	FRCJAPXRSCBYBX-UHFFFAOYSA-N	310.785	1.801	50	20	DDGD	
CCN(C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br)C1CCC1	1328961388	FDBYVTTXIOTQTD-GXFFZTMASA-N	317.227	1.677	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1cnc(C(C)C)[nH]1	1320374759	QEBACEGVKSEQIN-JTQLQIEISA-N	324.381	1.272	50	20	DDGD	
CC[C@]1(C)CN(C(=O)NNC(=O)c2cc(C)cs2)CCO1	1328814322	GFHYRVSKCGIAFJ-CQSZACIVSA-N	311.407	1.912	50	20	DDGD	
C[S@](=O)c1ccc(C=NNC(=O)c2ccc(O)cc2)cc1	1322324058	WAQVEHRBGQCEFJ-NRFANRHFSA-N	302.355	1.894	50	20	DDGD	
Cc1conc1NC(=O)NNC(=O)COc1ccc(Cl)cc1	1320139285	DXZNYRSJXJLJPK-UHFFFAOYSA-N	324.724	1.868	50	20	DDGD	
COC(=O)c1ccccc1C(=O)NNC(=O)NC1CCCC1	1335741680	MEHYYYPJIPSLKG-UHFFFAOYSA-N	305.334	1.360	50	20	DDGD	
CC(Cc1ccc(F)cc1[N+](=O)[O-])=NNC(=O)C[N+](C)(C)C	1330109026	MRUOMVCXTFFZLS-UHFFFAOYSA-O	311.337	1.475	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1cnc2n1CCCC2	1330933364	IYMFURVURCNSGI-UHFFFAOYSA-N	316.390	1.246	50	20	DDGD	
COc1cc(F)c(C(=O)NNC(=S)NC(C)C)c(F)c1	1346087701	XZPMHHLIIAZCRU-UHFFFAOYSA-N	303.334	1.491	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1COc2ccc(F)cc2C1)C(F)(F)F	1351716023	JVXJQFPRMISBJP-CBAPKCEASA-N	306.259	1.948	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cnc2c(F)cccc2c1	1353031271	XJVYWRKIWWDION-UHFFFAOYSA-N	317.320	1.562	50	20	DDGD	
C[C@H]1CN2CCN1C[C@H]2C(=O)NNc1c(F)cccc1Cl	1519883709	RVTQSNKQYSQQKS-CABZTGNLSA-N	312.776	1.311	50	20	DDGD	
O=C(CCc1ccccc1C(=O)O)NNC(=O)c1ccc[nH]1	1601290707	DXABCCQVZMVYQW-UHFFFAOYSA-N	301.302	1.107	50	20	DDGD	
Cc1cc(CNC(=O)NNc2ccc(CC(=O)O)cc2)n(C)n1	1607643576	QTXITOKGCQGMPB-UHFFFAOYSA-N	317.349	1.182	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2ccc(C(=O)O)n2C)c1	1607859707	XFKBNZZKSCHKDT-UHFFFAOYSA-N	315.329	1.561	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1609316782	OAXKTWSNKXCLLB-NXEZZACHSA-N	304.354	1.228	50	20	DDGD	
Cc1cc(F)cc(C(=O)NNc2ccc(C(=O)O)cn2)c1N	1600230528	POACYQDLIILWRX-UHFFFAOYSA-N	304.281	1.566	50	20	DDGD	
Cc1cc(C(=O)O)ccc1NC(=O)NNC(=O)c1cnsn1	1600122311	CSDNSVBBOKCFDA-UHFFFAOYSA-N	321.318	1.011	50	20	DDGD	
CC[C@@H](Br)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(C)=O)C2	1801798444	PYEBOSLWXCRLMC-WRWGMCAJSA-N	317.227	1.818	50	20	DDGD	
O=C(NN=C1CCCc2scnc21)[C@H]1CN2CCC[C@H]2CO1	1549684639	GLIGLDDKLBEUOJ-CMPLNLGQSA-N	320.418	1.163	50	20	DDGD	
CCn1cc([C@H]2OCC[C@H]2C=NNC(=O)c2cc[nH]n2)cn1	1552451958	KLOZXKPPOHCKRP-GWCFXTLKSA-N	302.338	1.120	50	20	DDGD	
CC(=O)N[C@H]1CCc2nc(NC(=O)[C@H](F)Cl)sc2C1	1817117255	JJEGDQKBGRIZRI-RCOVLWMOSA-N	305.762	1.609	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C=NNC(=O)[C@H]1CCCO1	1552455012	VBHIRUSNLONBBO-MRVWCRGKSA-N	306.366	1.169	50	20	DDGD	
CC[C@H]1NCC[C@@H]1C(=O)NNc1cc(Br)ncn1	1577308649	OYSHRGKIOVYVJQ-JGVFFNPUSA-N	314.187	1.070	50	20	DDGD	
CC1(C)CC[C@@H](CNC(=O)NNC(=O)c2ccccc2O)NC1	1576417142	QQGKSVBNOUJWKA-NSHDSACASA-N	320.393	1.114	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2CC[C@@H](C3CC3)N2)cccc1[N+](=O)[O-]	1579541253	NJEHNUVSWYCAEH-STQMWFEESA-N	304.350	1.877	50	20	DDGD	
CC(C)(C)N1CC[C@@H](NC(=O)NNc2cccc(C(=O)O)c2)C1	1589806519	QKJIEICHWYYLLT-CYBMUJFWSA-N	320.393	1.884	50	20	DDGD	
CCCC[C@@H](CN)NC(=O)NNc1cccc(C(=O)O)c1F	1595633425	JZLZAIDSFCMYBS-VIFPVBQESA-N	312.345	1.668	50	20	DDGD	
O=C(C(Cl)Cl)N1CCCC12CN(C(=O)C1(F)CCC1)C2	1846389091	BRQAQZMIGSQGKP-UHFFFAOYSA-N	323.195	1.886	50	20	DDGD	
CN(C)N(C(=O)c1cccs1)c1nc(CC(=O)O)cs1	1598258017	YCRLFGBJFMPKMA-UHFFFAOYSA-N	311.388	1.955	50	20	DDGD	
CO[C@@H]1CC[C@H](NC(=O)NNc2ccc(F)c(C(=O)O)c2)C1	1599102448	MOIZYJCRFTWMLF-WCBMZHEXSA-N	311.313	1.718	50	20	DDGD	
Cc1ccc(/C=C/C(=O)NNc2ccc(-c3nn[nH]n3)cn2)cn1	1592143788	HYPZQRZCHRZVHH-QPJJXVBHSA-N	322.332	1.122	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@H]1C[C@@H](C(=O)O)c2ccccc21	1594782724	IWLKUENBUYDTKU-OLZOCXBDSA-N	317.345	1.430	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1cc(-c2ccccc2)[nH]n1	1594780989	BOORXCHVCSXPKE-UHFFFAOYSA-N	323.312	1.927	50	20	DDGD	
CC(C)NCCCNC(=O)NNc1ccc(F)c(C(=O)O)c1	1591661331	JDFCMJSFBDMTTK-UHFFFAOYSA-N	312.345	1.538	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNc2nccnc2Cl)c1	1594288323	KDKKHVXWXQFBDH-UHFFFAOYSA-N	306.709	1.894	50	20	DDGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C(=O)O)nn2C)c1	1776119403	AGRGHJVYUOIXGU-XFFZJAGNSA-N	310.313	1.972	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NN=Cc1ccc(CCC(=O)O)o1	1776098744	WMVYHKGLROXYOM-CYBMUJFWSA-N	321.377	1.620	50	20	DDGD	
O=C(NN=Cc1cc(C(=O)O)co1)Nc1ccc2c(c1)OCO2	1776077218	AFALLSRLKJLOMB-UHFFFAOYSA-N	317.257	1.862	50	20	DDGD	
C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)c1ccccc1	14825048	VVFOKVQPEPVQST-LBPRGKRZSA-N	309.325	1.787	50	20	DDGD	
CCc1ccc2c(c1)/C(=N/NC(=O)Cc1cc(C)n[nH]1)C(=O)N2	17692688	GJRGFIMKEGMYIG-UHFFFAOYSA-N	311.345	1.296	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-]	165161131	JSGBEUXWYCOIOQ-UHFFFAOYSA-N	324.243	1.286	50	20	DDGD	
CC1=C(C(=O)NNc2nc3ccccc3c(=O)n2C)CCCO1	151752645	CAWBPGTWUYJEQX-UHFFFAOYSA-N	314.345	1.461	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)c1c(C)nc2ccccn12	152192134	PLGPYVMVPUATLR-JTQLQIEISA-N	304.350	1.219	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1	159828669	AGWBDYVXIAFNAM-JRXZGGODSA-N	309.410	1.436	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CNC(=O)OC(C)(C)C	274744254	KPQUUZYMTZQMJO-UHFFFAOYSA-N	322.365	1.672	50	20	DDGD	
COC(=O)C12CC(C(=O)NNC(=O)CCc3ccccc3)(C1)C2	843539980	PNFRQTGPYWERPH-UHFFFAOYSA-N	316.357	1.110	50	20	DDGD	
BrC[C@H](CN1CCN2CCOC[C@@H]2C1)C1CC1	859252189	NCZUYOBTQVFQRR-OLZOCXBDSA-N	303.244	1.424	50	20	DDGD	
Cc1noc(CN(C)S(=O)(=O)c2ccc(CCl)cc2)n1	706816746	HFUWELNMTWWLLW-UHFFFAOYSA-N	315.782	1.938	50	20	DDGD	
C#CCN(C)CCCNS(=O)(=O)c1ccc(CCl)cc1	381343476	CPAARQCYXUAVQU-UHFFFAOYSA-N	314.838	1.659	50	20	DDGD	
CC(C)N1CC[C@@H](N(C)NC(=O)OCc2ccccc2)C1=O	859388658	XJNMQBWACHTCGH-CQSZACIVSA-N	305.378	1.769	50	20	DDGD	
C[C@H]1OCCC[C@H]1C(=O)NCCSSCCC(=O)O	2088603978	OLMAIIYEMKXGBO-NXEZZACHSA-N	307.437	1.774	50	20	DDGD	
O=C(COC(=O)c1ccc(F)cc1)NNC(=O)c1ccccc1	3510085	QFODMDDUAXCJGU-UHFFFAOYSA-N	316.288	1.444	50	20	DDGD	
O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)c1ccco1	10158910	XLSOKCFZLGSWOD-UHFFFAOYSA-N	312.285	1.246	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1	58094676	NYYZUYZCBJJQMF-UHFFFAOYSA-N	314.363	1.260	50	20	DDGD	
O=C(NNC(=O)c1ccncc1Cl)c1ccc(Cl)nc1	174231282	BCCJBMZYVCEFIH-UHFFFAOYSA-N	311.128	1.858	50	20	DDGD	
C#CCCCNC(=O)NNC(=O)COc1ccccc1CC	173323201	SFTVPSSAOPZQNF-UHFFFAOYSA-N	303.362	1.372	50	20	DDGD	
O=C(NC[C@@H]1CCOc2ccccc21)NNC(=O)c1ccc[nH]1	108931909	WDQAGOCYBOOUHP-NSHDSACASA-N	314.345	1.525	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NC[C@@H]1CCCN(C)C1	108590646	HBIHVAHEVWRUBK-ZDUSSCGKSA-N	319.409	1.673	50	20	DDGD	
O=C(NNC(=O)c1cccc2ncccc12)c1cncc(O)c1	111615271	INKJSLNUMWEGPC-UHFFFAOYSA-N	308.297	1.410	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2ccccc2F)c(O)c1	60791997	PZQFIRGYKGTDLD-UHFFFAOYSA-N	318.304	1.680	50	20	DDGD	
CC(C)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)C(=O)N2CCCC2)C1	171452481	YJSLOWNNAYZLPD-CHWSQXEVSA-N	324.425	1.154	50	20	DDGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1cnns1	170812610	XUJOKKGROAKWAB-UHFFFAOYSA-N	317.157	1.920	50	20	DDGD	
COc1ccc(C(F)(F)C(=O)NNc2nccc(OC)n2)cc1	118988842	IFBKXNRIVOGPKN-UHFFFAOYSA-N	324.287	1.729	50	20	DDGD	
CC(C)=CCOc1cccc(C(=O)NNC(=O)CN(C)C)c1	175945557	QGBMPDVDNFYRKT-UHFFFAOYSA-N	305.378	1.354	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc2C1)NC1CCCCC1	178744675	WFWYLCQWQUMVSN-ZDUSSCGKSA-N	317.389	1.901	50	20	DDGD	
COCc1c(C(=O)NNC(=O)NC(C)C)oc2ccccc12	63269912	JTCZASCXWNCDEO-UHFFFAOYSA-N	305.334	1.932	50	20	DDGD	
CCc1ccsc1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	64729354	QFNBPPKAAKPISA-LLVKDONJSA-N	316.448	1.416	50	20	DDGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CC(O)C2)c1C	177988335	PRVMJCYRPXHMJA-FCGPPKDQSA-N	317.389	1.422	50	20	DDGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1csnn1	112693057	QGUDWWYKSDUONB-UHFFFAOYSA-N	322.737	1.998	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccc(OC[C@H]2CCCO2)cc1	26966537	VBFDLNGOOREMRW-CQSZACIVSA-N	304.346	1.415	50	20	DDGD	
CN(C)CCCCCCCNC(=O)NNC(=O)c1ccc[nH]1	125096478	XSZCDFDYDGGPNA-UHFFFAOYSA-N	309.414	1.471	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(F)c(F)cc1F	124679418	RGVUEIHQGWQXBR-ZCFIWIBFSA-N	317.267	1.236	50	20	DDGD	
COc1cc(CCNC(=O)NNc2ncccn2)ccc1C	120648517	GMJYFGQQOYTHJD-UHFFFAOYSA-N	301.350	1.662	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)/C=C/c2ccc(O)cc2)c1	124599964	VNBAFYKAWOCIER-RMKNXTFCSA-N	307.309	1.738	50	20	DDGD	
CC(C)[C@@]1(C)C[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)OCCO2	185288976	LMUHPYNGNCRIBV-SJKOYZFVSA-N	318.373	1.901	50	20	DDGD	
Cc1cccc(NNC(=O)C2CCN(S(C)(=O)=O)CC2)c1	73326084	OKFCBUAOGTUXAV-UHFFFAOYSA-N	311.407	1.110	50	20	DDGD	
Cc1ccc(Cl)cc1NC(=O)NNc1ccc(C(N)=O)nn1	122278248	FMJZZFMRGGUHFR-UHFFFAOYSA-N	320.740	1.686	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNC(=O)CNc1ccccc1	73302182	XQCBHUVNHSATIJ-UHFFFAOYSA-N	324.340	1.197	50	20	DDGD	
COC(=O)Cc1cccc(C(=O)NNC(=O)CC2CCCC2)c1	188219239	NZMYZXUZJCRZOU-UHFFFAOYSA-N	318.373	1.743	50	20	DDGD	
COc1cc(C)sc1C(=O)NNC(=O)Cn1nc(C)cc1C	71096040	BYARIWXMUTYYOZ-UHFFFAOYSA-N	322.390	1.340	50	20	DDGD	
CC[C@H]1C[C@H](C(=O)NNC(=O)CCc2ccccc2O)CCO1	180091745	ZLRFRDJCTKLPSF-KGLIPLIRSA-N	320.389	1.677	50	20	DDGD	
COc1ccncc1NC(=O)C(=O)NNc1ccc(Cl)cc1	131105060	TUJGSTVIKZHQND-UHFFFAOYSA-N	320.736	1.825	50	20	DDGD	
C[C@@H]1CC[C@H](CC(=O)NNC(=O)Cc2cn3ccccc3n2)C1	133167657	FRISQCLYKVLIBH-OLZOCXBDSA-N	314.389	1.851	50	20	DDGD	
CC1(Cn2cc(C(=O)NNc3ncccc3Cl)nn2)COC1	185378475	NEUQUISKUPNYLA-UHFFFAOYSA-N	322.756	1.120	50	20	DDGD	
C[C@H]1CCCCN1[C@@H](C)CNC(=O)NNC(=O)OC(C)(C)C	46338540	SCSBKUBAHUMIHB-RYUDHWBXSA-N	314.430	1.988	50	20	DDGD	
CC[C@@H](CC(=O)NNC(=O)C(C)(C)O)c1ccc(OC)cc1	192924171	UQDCLKCYSIKZHA-NSHDSACASA-N	308.378	1.497	50	20	DDGD	
C=C[C@@](C)(CC)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	134886937	FCAXALQFMUZCFB-INIZCTEOSA-N	304.346	1.821	50	20	DDGD	
C=CCNC(=S)NNC(=O)COc1ccccc1OCC	41960659	HWQIXEIVKNVBTL-UHFFFAOYSA-N	309.391	1.145	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NNc1ccc([N+](=O)[O-])cc1	133902255	SADYBDBRUDQYNS-MFKMUULPSA-N	309.322	1.622	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2csc(C3CC3)n2)n1	194867651	PHNNXIGFZKMJLB-UHFFFAOYSA-N	319.390	1.295	50	20	DDGD	
CCc1noc(CC)c1CNC(=O)NNC(=O)c1ccc(C)o1	87169772	MCUXIZGKEQPSRH-UHFFFAOYSA-N	320.349	1.845	50	20	DDGD	
CC(=O)N1CC(C(=O)NNc2ccc(Cl)cc2Cl)C1	191930649	RRKWTJQSOMLCKG-UHFFFAOYSA-N	302.161	1.915	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCc1ccc(C(C)(C)C)cc1	190046421	AMSQKSVYTZNZIC-UHFFFAOYSA-N	306.406	1.835	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2)on1)c1ccnnc1	90101533	VYOLZRYRWJTTMP-UHFFFAOYSA-N	309.285	1.206	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)n1	249306629	JPHOQHCOTWRQCM-LERXQTSPSA-N	321.425	1.655	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2	247105491	VHHHSPITPCHVGT-SRVKXCTJSA-N	309.410	1.265	50	20	DDGD	
CN(NC(=O)NCCCNC(=O)C1CCC1)c1ccccc1	267181895	KLBPQQAVAJJSIX-UHFFFAOYSA-N	304.394	1.643	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)NC2CC(C)C2)cc1OC	268062077	UAYBTAASUHTPII-UHFFFAOYSA-N	321.377	1.836	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2cn[nH]c2C1)c1ccccc1F	266247188	RARVHYSFJDVRJX-VIFPVBQESA-N	302.309	1.115	50	20	DDGD	
COCC[C@@H](C)NC(=O)NNC(=O)C(C)(C)c1ccccc1	264681682	ZGNRZMZLHRPQIO-GFCCVEGCSA-N	307.394	1.720	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc(CN2CCCC2=O)cc1	264798724	TWQGTJFBCDNVBT-UHFFFAOYSA-N	315.373	1.370	50	20	DDGD	
C[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)c1ccc2c(c1)OCCO2	264301176	JJMURXPVECPVTE-PWSUYJOCSA-N	319.361	1.590	50	20	DDGD	
Cc1cc(C(=O)O)ccc1S(=O)(=O)NNC(=O)C(C)(C)C	268152783	VFHPAILABXCSIN-UHFFFAOYSA-N	314.363	1.049	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)c1cccn1C)N1CCCCC1	264322400	XZZSICSDCRCOCS-AWEZNQCLSA-N	306.410	1.297	50	20	DDGD	
NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CCI	364620496	TVWGKNKBZZGIRJ-YIZRAAEISA-N	308.163	1.007	50	20	DDGD	
COc1ccnc(NNC(=O)NCCCc2ccccc2F)n1	279777962	BSTAUTZDOGDBBO-UHFFFAOYSA-N	319.340	1.883	50	20	DDGD	
CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)NNc1ccncc1	278476077	UNONAAJZKBAESM-GFCCVEGCSA-N	324.381	1.455	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1ccc(F)c(Cl)c1	274016999	BLEXFLLEDHKNMI-UHFFFAOYSA-N	315.732	1.611	50	20	DDGD	
COCCOc1ccc(NC(=O)NNC(=O)CC2CC2)c(C)c1	273482491	LJLXCAIEZHSCTD-UHFFFAOYSA-N	321.377	1.973	50	20	DDGD	
COC(=O)[C@@H]1CN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C[C@H]1C	279939558	MAJAONWZUULKJY-KHZOTCODSA-N	314.341	1.567	50	20	DDGD	
O=C(NC[C@H]1CC(=O)N(C2CC2)C1)NNc1c(F)cccc1F	272711395	CRSRRSRAKAPQOO-SECBINFHSA-N	324.331	1.602	50	20	DDGD	
Cc1ccn(C[C@@](C)(O)C(=O)NNc2ccc(F)cc2)c(=O)c1	279543434	MAGSXGVHMPQNIF-MRXNPFEDSA-N	319.336	1.190	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@H](C(=O)NNc2cccc(OC)n2)C1	272538037	OMKSEUIAWDISQC-WDEREUQCSA-N	307.350	1.513	50	20	DDGD	
O=C(O)c1ccc(CCNS(=O)(=O)CBr)cc1	274905504	JGRSJNSEHKMABX-UHFFFAOYSA-N	322.180	1.199	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(N(C)C(=O)OC)cc1	276009048	IKQDCAAEANFNOP-UHFFFAOYSA-N	323.353	1.587	50	20	DDGD	
C[C@H]1Oc2ccccc2[C@@H]1NC(=O)NNc1cncc(Cl)n1	365761469	RHPQVPFHZAWAEC-AMIZOPFISA-N	319.752	2.278	50	20	DDGD	
COC1(CC(=O)NNC(=O)c2cccc3ncccc23)CCC1	277339662	WGKUANWLTOHXTQ-UHFFFAOYSA-N	313.357	1.955	50	20	DDGD	
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NNC(=O)NC(C)C	271355339	XVHPPNLAIGYNPM-UHFFFAOYSA-N	308.338	1.872	50	20	DDGD	
COc1ccc(NC(=O)NNC(C)=O)cc1N1CCCCC1=O	273174233	FRJLWGCSPNIHMT-UHFFFAOYSA-N	320.349	1.385	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)c1[nH]ccc1C	281940002	WOIPZGDLVTUFKY-UHFFFAOYSA-N	317.345	1.562	50	20	DDGD	
CCC1(CNC(=O)NNc2ccc(-n3ccnc3)nn2)CCC1	286519548	BHKXGXNTJPKORZ-UHFFFAOYSA-N	315.381	1.869	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2cccc(F)n2)[C@@]12CCCO2	286937464	VRGMJQATJRGMFA-RWSFTLGLSA-N	324.356	1.573	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CC([C@@H]3CCOC3)C2)cc(C#N)n1C	373418440	QOZCJECCQNYADV-ZJNVBJFISA-N	324.384	1.607	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@@H]1CCc2[nH]ncc2C1	280657670	OGRLGVMOZGAEHG-MRVPVSSYSA-N	319.296	1.705	50	20	DDGD	
CSSCCNC(=O)NC[C@H]1COC2(CCCC2)O1	375229984	SKTFHBQNJNHPSI-JTQLQIEISA-N	306.453	1.983	50	20	DDGD	
O=C(NCCC1(O)CCOCC1)NNc1ccccc1Cl	288370588	XCIIRSUCSJZBMW-UHFFFAOYSA-N	313.785	1.898	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	285158809	YBUXSMZNLQAYDM-BONVTDFDSA-N	307.325	1.680	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cnc(C(C)C)nc1	285367197	USXBAVCLBPSDCE-UHFFFAOYSA-N	314.436	1.666	50	20	DDGD	
Cc1nc2cc(F)c(F)cc2n1CC(=O)NNC(=O)CC(C)C	280763884	DQNVGANQBQUZFW-UHFFFAOYSA-N	324.331	1.816	50	20	DDGD	
CSSCCNC(=O)CCn1cnc2ccccc2c1=O	284282528	YXTQWEQSJRUJNA-UHFFFAOYSA-N	323.443	1.914	50	20	DDGD	
CC(C)Cc1cc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc(O)n1	293826526	FVTKBSCIOMGVFA-GWCFXTLKSA-N	321.377	1.314	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCOc2ccccc21)[C@@H]1CCCCO1	295648246	UQWKJTUAWLRISS-OCCSQVGLSA-N	304.346	1.269	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCCOC(F)F)cc1	801071762	UTWGIUQEPADECC-UHFFFAOYSA-N	315.320	1.822	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2cccc(F)n2)c(C)n1	807392723	WWSAIDKYMIDJHU-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
O=C(NNc1ncncc1F)C1(c2ccccc2)CCOCC1	294173302	WFXLZPCQBRWEOR-UHFFFAOYSA-N	316.336	1.807	50	20	DDGD	
C#Cc1cncc(C(=O)NNC(=O)c2cc3c(s2)CCC3)c1	806342677	PFBNOWMZPIFPAE-UHFFFAOYSA-N	311.366	1.688	50	20	DDGD	
C[C@@H]1C[C@H](c2cccnc2)N(CC(=O)NNC(=O)C2CC2)C1	805749941	VJBXGCHSFUNPOH-BXUZGUMPSA-N	302.378	1.022	50	20	DDGD	
Cn1c(=O)oc2c(C(=O)NNc3ncccc3F)cccc21	804213198	MKEZKKDCIFYXAI-UHFFFAOYSA-N	302.265	1.423	50	20	DDGD	
CSCc1cccnc1C(=O)NNC(=O)NC1CCCC1	290605074	VTKSPYZQZCTMIZ-UHFFFAOYSA-N	308.407	1.831	50	20	DDGD	
C[C@H]1CC[C@H](C)N1CC(=O)NNc1ccc2c(=O)[nH]ccc2c1	803438780	FUQHOBFCDDUVHY-RYUDHWBXSA-N	314.389	1.844	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCc2ccncn2)cc(C#N)n1C	808148922	AIXIKCNHMWRIDW-WLRTZDKTSA-N	306.329	1.219	50	20	DDGD	
C[C@H](C(=O)NNc1cccnn1)[C@H]1OCCc2sccc21	293509639	PLXQSDSUWRYYRH-TVQRCGJNSA-N	304.375	1.931	50	20	DDGD	
COc1ccc2c(c1)C[C@@H](C(=O)NNC(=O)OC(C)(C)C)CO2	299213471	LKFQOLOFZMZZJZ-LLVKDONJSA-N	322.361	1.802	50	20	DDGD	
CCCCN(C)C[C@H](C)NC(=O)NNc1nc2ccccn2n1	292092320	KJTLOVJZHJFVAC-LBPRGKRZSA-N	319.413	1.476	50	20	DDGD	
CC(C)(C)OC(=O)C1=NO[C@H](C(=O)NCC(Cl)Cl)C1	297154676	RZHJZRDPJMMSBB-ZETCQYMHSA-N	311.165	1.393	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2nc(C)oc2C)cc1	293132046	VPCODQPAGOXOJX-UHFFFAOYSA-N	317.345	1.694	50	20	DDGD	
Cn1cc(-c2nc(C(=O)NNc3ncccc3F)cs2)cn1	804211567	QHGOEARTOBFWAT-UHFFFAOYSA-N	318.337	1.835	50	20	DDGD	
CC(C)C[C@@H](CNC(=O)NNC(=O)CC(C)(C)C)C(=O)O	818624730	UHQHUTQSCRZTLI-JTQLQIEISA-N	301.387	1.500	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cccc(F)c2F)n1C	815856904	GVDUZSVAQKKFCR-UHFFFAOYSA-N	309.272	1.847	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)c2ccc[nH]2)cnc1C(F)(F)F	814796635	JPNRYGGAQPNQMV-UHFFFAOYSA-N	323.234	1.375	50	20	DDGD	
COc1nccnc1NNC(=O)c1cnnc(-c2ccccc2)c1	811074813	UGBOSCVOYQWFFC-UHFFFAOYSA-N	322.328	1.699	50	20	DDGD	
CCc1nocc1C=NNC(=O)[C@H]1COc2ccccc2O1	814700857	GFZSJTIZXRDNGP-CQSZACIVSA-N	301.302	1.527	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)[C@@H]1C[C@H](CC(=O)O)C1(C)C	814958022	WEJOKUPFGIWWHC-PWSUYJOCSA-N	306.366	1.581	50	20	DDGD	
COc1ccc(CNC(=O)NNc2ncncc2F)cc1F	814275301	BSELVFLVFNMJNI-UHFFFAOYSA-N	309.276	1.590	50	20	DDGD	
NC(=O)N1CCC(=NNC(=O)COc2ccc(Cl)cc2)CC1	812391332	YJDLBHNJHIMQKU-UHFFFAOYSA-N	324.768	1.366	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@H]2CCCCCC(=O)C2)c1	813440669	RSUVAHSFHIZLHN-AWEZNQCLSA-N	313.357	1.859	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccc(Cl)cc1)c1ccncc1	813362841	KCVWXLQFVWDJHI-GFCCVEGCSA-N	305.721	1.230	50	20	DDGD	
CSSCCNS(=O)(=O)c1cccc2c1OCC2	817140131	OBSCKJLMVAPPDK-UHFFFAOYSA-N	305.446	1.911	50	20	DDGD	
COc1ccc(NNC(=O)c2cccc(C#N)n2)c([N+](=O)[O-])c1	810605046	DGAANBROHJDYHQ-UHFFFAOYSA-N	313.273	1.627	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)CCc2ccn(C)n2)o1	814669814	VJRHJANPSBIDSF-UHFFFAOYSA-N	302.338	1.479	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2ccccn2)cn1	726894391	UKYZWGCGGMJVPG-UHFFFAOYSA-N	303.347	1.117	50	20	DDGD	
Cc1ccc2[nH]c(C(=O)NNC(=O)Cc3cccnc3)cc2c1	728892250	RSRCZGCUVBVLSW-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@H]1CCN(c2ccccc2)C1	826614915	AFMVITYIZYEJBM-HNNXBMFYSA-N	324.384	1.298	50	20	DDGD	
COc1ccc2nc(C)c(C(=O)NN(C)[C@@H](C)CO)cc2c1	823982583	BDZPJHBUDQCVFC-JTQLQIEISA-N	303.362	1.509	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(O[C@H](C)C#N)cc1	727684854	PIAZWQOUOYMRBN-GFCCVEGCSA-N	304.350	1.647	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc(OC)c(Cl)c1	495409491	ZGEVGBTUKJKRFK-UHFFFAOYSA-N	315.713	1.064	50	20	DDGD	
COC(=O)NCC(=O)NNc1ccc(Br)cc1C	493940162	ATZOTBBLTZKWLO-UHFFFAOYSA-N	316.155	1.557	50	20	DDGD	
CCC1(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)CCC1	495311914	JUINHSNCKFVBEZ-UHFFFAOYSA-N	313.398	1.629	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccc(C(=O)O)cc2)c1	820689504	PURAHBBPQKLGNQ-UHFFFAOYSA-N	314.297	1.928	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)c1ccc2onc(Cl)c2c1	821128087	QYIBHJCTJXMMST-UHFFFAOYSA-N	317.754	1.447	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)[C@@H]1CCN(c2ccccc2)C1	825954436	SPCHUGDWYXSSPB-LLVKDONJSA-N	323.360	1.323	50	20	DDGD	
CC(C)(C)c1n[nH]c(CNC(=O)[C@@]2(C)C[C@H]2Br)n1	820103162	YPGXSTKUBGPODA-KRTXAFLBSA-N	315.215	1.892	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCc1ccccc1OC(F)(F)F	823959409	IAANXZRTOKXBJN-JTQLQIEISA-N	320.311	1.862	50	20	DDGD	
CCc1nncn1CCNC(=O)/C(C#N)=C/c1ccc(O)cc1	490975794	PVCUWPLHYXJXPD-UKTHLTGXSA-N	311.345	1.269	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccn(-c2ccc(Cl)cc2)n1	823939384	JYGKXVRDSIDECD-SNVBAGLBSA-N	308.769	1.483	50	20	DDGD	
CCCCC[C@H](O)C(=O)NNC(=O)COc1ccc(C)cc1	822202630	IWYVSOLUZPMQRW-AWEZNQCLSA-N	308.378	1.462	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)Cc1csc(-c2ccccn2)n1	823982720	CQZAGDIVZFFQIP-SNVBAGLBSA-N	306.391	1.091	50	20	DDGD	
COCc1ccc(C=NNC(=O)CNC(=O)OC(C)(C)C)o1	494726194	NAJIYPBXEFKSOP-UHFFFAOYSA-N	311.338	1.401	50	20	DDGD	
O=C(NC[C@H]1CCCC[C@H]1C1CC1)c1ccc(B(O)O)cc1	584997719	IEANFVCTRRJCOC-ZBFHGGJFSA-N	301.195	1.313	50	20	DDGD	
CN(C)c1ccccc1NC(=O)C(=O)NNC(=O)OC(C)(C)C	495367898	VHXVURRWMKJSKR-UHFFFAOYSA-N	322.365	1.247	50	20	DDGD	
C[C@@H](CNCc1cccc(B(O)O)c1)Oc1ccc(F)cc1	585027685	XTEUVOKHGGNKIE-LBPRGKRZSA-N	303.142	1.063	50	20	DDGD	
CCn1cc(C=NNC(=O)c2ccc(OC)c(OC)c2)c(C)n1	901126317	GUGULMVXDQLQHO-UHFFFAOYSA-N	316.361	1.993	50	20	DDGD	
O=C(NNS(=O)(=O)c1sccc1Cl)NC1CCCC1	829782187	WRIRNXZJALJPAV-UHFFFAOYSA-N	323.827	1.837	50	20	DDGD	
CO[C@H]1CCC[C@@H](Cc2nc(-c3cccc(B(O)O)c3)no2)C1	585051675	CDOIRPZRBHATGW-RISCZKNCSA-N	316.166	1.164	50	20	DDGD	
CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)NNC(=O)C2CCCC2)C1	734221233	MOTJPCZFBWSSHH-STQMWFEESA-N	324.425	1.154	50	20	DDGD	
CN(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)C(N)=O	494573106	PSDIASRLBCDACD-NSHDSACASA-N	322.365	1.294	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1ccc(-n2cccn2)nc1	735688864	CBYYJPNCGSDIBK-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
CCN(CCO)NC(=O)C1(Cc2cccc(F)c2)CCOCC1	823889462	XMAVEGVMUISVLN-UHFFFAOYSA-N	324.396	1.510	50	20	DDGD	
O=C(c1ccc(SC(F)(F)F)o1)N1CC[C@H](B(O)O)C1	585065994	HRSWOBFYLSNZLU-LURJTMIESA-N	309.074	1.580	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)COC[C@@H]1CCCO1	733219245	CCXZFQXIHZVWLF-NSHDSACASA-N	311.290	1.704	50	20	DDGD	
CCC[C@@H](CC(C)C)C(=O)NNc1nc(O)c2cnn(C)c2n1	825826854	JUWVPWGHHZZNCQ-JTQLQIEISA-N	320.397	1.974	50	20	DDGD	
CN1C[C@H]2CC[C@H]1[C@@H](CNC(=O)/C(C#N)=C/c1cnn(C)c1)C2	909745677	UOJGLCWUNRLUKZ-AGALTEDFSA-N	313.405	1.174	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)[nH]1	731862045	XZGVVMDASVUKLC-UHFFFAOYSA-N	302.334	1.175	50	20	DDGD	
CCC(=NNC(=O)CNC(=O)OC(C)(C)C)c1ccncc1	496204024	GEOMWAMQKHECTJ-UHFFFAOYSA-N	306.366	1.837	50	20	DDGD	
Cc1nc(C=NNC(=O)CCNC(=O)OC(C)(C)C)cs1	495088517	RHPFVDFQAPPMAB-UHFFFAOYSA-N	312.395	1.816	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(C)c1	831417538	VIGSFPKCWCLBAK-ZYHUDNBSSA-N	307.350	1.581	50	20	DDGD	
CC(C)[C@@]1(C)C[C@@H]1NC(=O)NNc1nc(O)c2cnn(C)c2n1	838763822	LQJXNRMYUUFHLM-LKFCYVNXSA-N	319.369	1.130	50	20	DDGD	
C[C@H](NS(=O)(=O)CCl)c1cccc(N2CCOC2=O)c1	830206740	WCRKDZSNQOEHMC-VIFPVBQESA-N	318.782	1.820	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCC(C)(C)C(C)(C)O)n1	836654292	YURJPSYHWGTDFO-UHFFFAOYSA-N	311.386	1.217	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cc(C)c2c[nH]nc2c1	839550360	VHFXOTHRCDWTCL-UHFFFAOYSA-N	324.431	1.937	50	20	DDGD	
Cn1ncc(C2CC2)c1C(=O)NNc1ccc([N+](=O)[O-])cc1	830757286	LRYNUEDQOCQQOH-UHFFFAOYSA-N	301.306	1.963	50	20	DDGD	
COCC[C@H](C)NC(=O)NNc1ccc(C(=O)OC)c(F)c1	838118484	DJOXIDZWUJMIBS-VIFPVBQESA-N	313.329	1.663	50	20	DDGD	
CCC(C)(C)OCC(=O)NNC(=O)c1cccc(OC)c1O	839569095	TWSUWEJSPKPMIO-UHFFFAOYSA-N	310.350	1.367	50	20	DDGD	
CCc1cc(CNC(=O)NNC(=O)c2ccccc2OC)n[nH]1	736660507	IOAOJRXCTVMBGE-UHFFFAOYSA-N	317.349	1.125	50	20	DDGD	
COCC(=NNC(=O)CN(C)C)c1cccc(C(F)(F)F)c1	735613859	JYKLLPLUUWBQAX-UHFFFAOYSA-N	317.311	1.734	50	20	DDGD	
COc1cc(CN(C2CC2)S(=O)(=O)CCl)ccc1O	830614522	JYHNBHVVBPPSIK-UHFFFAOYSA-N	305.783	1.891	50	20	DDGD	
C[C@@H](N(C)CC(=O)NNC(=O)c1ccc(F)cc1)C(C)(C)C	839462672	OUOQZKJCMHOZPS-LLVKDONJSA-N	309.385	1.953	50	20	DDGD	
Cc1ccccc1OC[C@H](C)NCc1ccc(B(O)O)cc1F	585018953	XSKFMEOLOKJQAF-ZDUSSCGKSA-N	317.169	1.371	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1OC	831057321	GJECFKJHYDGNKZ-GXSJLCMTSA-N	323.349	1.282	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@H]2CCCCO2)c(N(C)C)n1	836478731	UXTSIBVXDBVKLK-GFCCVEGCSA-N	321.381	1.178	50	20	DDGD	
COCC1(C(=O)NNc2nc(-c3ccncc3)no2)CCCC1	837386836	CGDPJHWIMGDPKQ-UHFFFAOYSA-N	317.349	1.782	50	20	DDGD	
OB(O)[C@@H]1CCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)C1	585077775	YCKGCBKZBBFCJQ-ZBFHGGJFSA-N	305.183	1.293	50	20	DDGD	
COc1ccc(C=NNC(=O)Cn2nc(C)cc2C)c(C)c1	901149860	PRAIECWPADIVGI-UHFFFAOYSA-N	300.362	1.967	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@H]2CCCCO2)c(-c2ccoc2)n1	833235878	LLIOARQZZKRTBA-GFCCVEGCSA-N	318.333	1.010	50	20	DDGD	
O=C(NC1[C@H]2CC3C[C@H]1CC(F)(C3)C2)c1ccc(B(O)O)cc1	584987580	VCWGIHWLENDOBY-WYZMOISSSA-N	317.169	1.013	50	20	DDGD	
O=C(Cc1csc(-c2nc[nH]n2)n1)NNc1ccc(F)cc1	731184007	LSAGDYAJJFQLRG-UHFFFAOYSA-N	318.337	1.753	50	20	DDGD	
Cc1cc(C)c(C)c(OCCC(=O)N2CC[C@@H](B(O)O)C2)c1	585066412	NILFHZHHIUQGPG-CQSZACIVSA-N	305.183	1.456	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NN=C2CCNC(=O)CC2)c1C	834930092	MSIXCDWVYMSNOO-CYBMUJFWSA-N	317.389	1.843	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1	730577619	KPEYWLBJOFMRHI-JTQLQIEISA-N	300.767	1.225	50	20	DDGD	
NC(=O)N1CCC(=NNC(=O)c2cccc3ncccc23)CC1	730146911	JHOUACYWQVLFCE-UHFFFAOYSA-N	311.345	1.495	50	20	DDGD	
COc1ccc(O)c(C(=O)NNC(=O)c2ccc(Cl)nc2)c1	917253356	GCMJIDBDAHCWSV-UHFFFAOYSA-N	321.720	1.524	50	20	DDGD	
O=C(CCc1ccco1)NNC(=O)c1cnn(-c2ccccc2)c1	748265782	BPLBCYDBIYVWPU-UHFFFAOYSA-N	324.340	1.859	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNc1ncnc2[nH]cnc12	743469242	QBCGGYUIINIFBE-MRVPVSSYSA-N	316.296	1.403	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccc2ccccc2n1)c1cnn(C)c1	749855880	XSRMXIJZPKOKKV-NSHDSACASA-N	323.356	1.533	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1conc1C(F)(F)F	847120187	FHQKWVVQLOOGGA-UHFFFAOYSA-N	320.149	1.200	50	20	DDGD	
N[C@H]1CCC[C@H](NC(=O)NNC(=O)c2cc3c(s2)CCC3)C1	841981494	DBJQLIVOHMANKK-QWRGUYRKSA-N	322.434	1.451	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)N[C@H]2CCSC2)cc1	743691675	QXORVEMFIBNJRH-NSHDSACASA-N	323.422	1.594	50	20	DDGD	
N#Cc1cccc(NNC(=O)NCC[C@@]2(O)CCCOC2)c1	845718155	IRKBXGBPOLBLIR-HNNXBMFYSA-N	304.350	1.116	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(Br)ccc1F	910179557	YZBGRGDYPGKLOE-SSDOTTSWSA-N	305.147	1.546	50	20	DDGD	
CNCCNC(=O)NNC(=O)COc1cc(C)ccc1C(C)C	841936325	MKOMRZYHWBGDRM-UHFFFAOYSA-N	322.409	1.047	50	20	DDGD	
CC(C)Oc1ccccc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843650352	BJZWWAHUIISDKH-VXGBXAGGSA-N	306.362	1.660	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)[C@H]1Cc2ccccc21	741945605	GNTYTGUKGXONLY-INIZCTEOSA-N	310.353	1.691	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNC(=O)C(C)(C)c1ccccc1	844378220	LPTMCQRRJIPIAD-UHFFFAOYSA-N	319.405	1.274	50	20	DDGD	
O=C(NC[C@H]1CC1(Cl)Cl)NNc1ccc(Cl)nn1	915907885	IRHJDZIRTGKRFA-RXMQYKEDSA-N	310.572	1.950	50	20	DDGD	
Cc1ccc(NNC(=O)NCC(C)(C)c2cccnc2)nn1	840477415	WFYQGPHQQYSBHA-UHFFFAOYSA-N	300.366	1.784	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cccs1)Cc1cccc(O)c1	748817676	PWTHYCZZIMLZHK-UHFFFAOYSA-N	319.386	1.347	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1COc2ccc(F)cc21	918151970	DRXOSZHVDGJSSJ-LLVKDONJSA-N	321.352	1.007	50	20	DDGD	
N#CC1(CNC(=O)NNC(=O)c2cccc3cccnc23)CCC1	842196706	OVCIRWQONGTGRU-UHFFFAOYSA-N	323.356	1.873	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc(Cl)cc1OC	917745427	VXLHGQBATCFEDV-QMMMGPOBSA-N	320.798	1.704	50	20	DDGD	
N#CSCCCNS(=O)(=O)c1cccc2nsnc12	916966144	YSRXQZQCNRSKMI-UHFFFAOYSA-N	314.417	1.574	50	20	DDGD	
O=C(NNC(=O)c1ncccn1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1	842173717	YKPAZWBZACKAAV-JHJVBQTASA-N	317.393	1.780	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1c(Cl)cncc1Cl	843970859	MEIQUHBPUBGIHA-RQJHMYQMSA-N	318.160	1.574	50	20	DDGD	
C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@@H]1C(=O)NN	843450493	DHSDUKJMDSECDO-XBFCOCLRSA-N	301.390	1.761	50	20	DDGD	
COc1ncccc1CNC(=O)NNc1ccc(Cl)nc1	745468437	NSKHZIKBVHIYKN-UHFFFAOYSA-N	307.741	1.965	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cn1ccc2ccc(F)cc21	843657293	GRIAWMIZLOUMRR-GWCFXTLKSA-N	319.336	1.353	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NCC1(C#N)CCC1	842199390	UMFHGHRWLHAPEK-UHFFFAOYSA-N	300.362	1.562	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N[C@@H](C)CCCN)c1ccccc1	841999885	QZVXWFVMPRCPIJ-GXTWGEPZSA-N	306.410	1.638	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CNC(=O)CC2CCCC2)n1	750865834	LZLWEZQACDPBAU-UHFFFAOYSA-N	305.382	1.233	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=Cc1cnc2ccccn12	755755621	MXLSWDYNDMPMTG-UHFFFAOYSA-N	318.340	1.675	50	20	DDGD	
CCCNC(=O)NNC(=O)C1CCN(c2ccc(C)cn2)CC1	921038259	NOIWYDPEUYFTDS-UHFFFAOYSA-N	319.409	1.347	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1	852554709	BPNQWLWVNLDNMH-CYBMUJFWSA-N	320.349	1.134	50	20	DDGD	
O=C1CC[C@H](CC(=O)NNc2ccc(OC(F)F)cc2)CN1	857474057	PXVYFPZLPBRBTJ-SECBINFHSA-N	313.304	1.647	50	20	DDGD	
C[C@@H]1CCCc2ncc(C(=O)NNC(=O)c3cccc(F)n3)n21	856427793	FRIRJHHHRGUTAJ-SECBINFHSA-N	317.324	1.389	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnn2cccc(Cl)c12	855005427	FDPBTUACLOSHFW-RKDXNWHRSA-N	322.752	1.174	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NNc2ncncc2Cl)C1	857864360	GKGDSOPPKXCUCJ-VXNVDRBHSA-N	306.757	1.662	50	20	DDGD	
N#CCOc1cccc(NC(=O)NNC(=O)c2ccncc2)c1	755931672	HZCVKATUOONTGX-UHFFFAOYSA-N	311.301	1.450	50	20	DDGD	
CS(=O)(=O)CC1(CNC(=O)NNc2cccc(C#N)c2)CC1	753020396	INEWGAXFQYLRKV-UHFFFAOYSA-N	322.390	1.009	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CCn2cccc2)c1O	751062878	GGXMUYCFJCCLRY-UHFFFAOYSA-N	303.318	1.054	50	20	DDGD	
C=CCCSCCNC(=O)NNC(=O)[C@H]1CCCCO1	852488261	ZRHYDGRJOIUVAK-LLVKDONJSA-N	301.412	1.195	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1cnc2n1CCC2	853279303	PNIBVSVAUBGQPZ-CYBMUJFWSA-N	303.410	1.401	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2C[C@@]23CCOC3)ccc1C	857267255	QNHGUTDQYOJBJY-XJKSGUPXSA-N	304.346	1.651	50	20	DDGD	
COc1ccnc(NNC(=O)Cc2nn(C)c3ccccc23)n1	857437005	MUYUHSIPBBUDFS-UHFFFAOYSA-N	312.333	1.058	50	20	DDGD	
COCC[C@@H](C)NC(=O)NNc1ccc([N+](=O)[O-])cc1F	853608063	DSLZIYYBWQZVHE-MRVPVSSYSA-N	300.290	1.785	50	20	DDGD	
C[C@H]1C[C@@H]1C=NNC(=O)CCN1CCN(c2ccccc2)CC1	758358909	MODSALDBOOMFQJ-JKSUJKDBSA-N	314.433	1.957	50	20	DDGD	
CO[C@@]1(C)C[C@H]1NC(=O)NNC(=O)Nc1ccc(Cl)cc1	852686560	XOJMSGHDAYFZEW-MFKMUULPSA-N	312.757	1.853	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)NCc2ccco2)cc1	920825324	GKWRLXKOTMMILL-UHFFFAOYSA-N	301.302	1.900	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1c[nH]nc1C(C)(C)C)C1CC1	855097629	VDUZONBLQYCPIJ-QMMMGPOBSA-N	309.439	1.615	50	20	DDGD	
O=C(NN=Cc1cc(Cl)ccc1Cl)C(=O)NC1CC1	753694555	GTZCVDZFFAXUJP-UHFFFAOYSA-N	300.145	1.722	50	20	DDGD	
CCOc1ccc(C[C@H](C)C(=O)NN(C)C(=S)NC)cc1	854927708	OZLIPYMNODHORM-NSHDSACASA-N	309.435	1.731	50	20	DDGD	
CC1(C)CCC[C@H]1NCC(=O)NNC(=O)c1ccc(C#N)cc1	755053448	ACIQMYRHTANNHX-CQSZACIVSA-N	314.389	1.488	50	20	DDGD	
CCOC(=O)c1nc(/C(C#N)=C(/C)N)sc1C(=O)OCC	853003981	QXJGJNWZSSVMQK-FPLPWBNLSA-N	309.347	1.710	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CCc2c[nH]nc2C1	758835396	ZLXKLPIXGYXBQH-GFCCVEGCSA-N	313.361	1.220	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1nc(Cl)ccc1F	758714355	JZOZTTAVCVZVFB-UHFFFAOYSA-N	312.688	1.611	50	20	DDGD	
COc1ccc2c(c1)CC(=NNC(=O)C(=O)N1CCCC1)CC2	752728647	WPMFDRJZAXWOAP-UHFFFAOYSA-N	315.373	1.279	50	20	DDGD	
CN(C(=O)NC[C@]1(C)C[C@@H]1Br)[C@@H]1CCCOC1	856959693	WZBKPLXVEUQEJO-SCVCMEIPSA-N	305.216	1.980	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(OC)cc1OC(F)F	854919786	FRTWPLJVDHGDLM-UHFFFAOYSA-N	319.333	1.378	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CN2C[C@@H](C)[C@@H](C)C2)cc1C	752300298	BOXSUMXLDUAJEP-TXEJJXNPSA-N	323.462	1.968	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2cnnn2C)c(C)n1-c1ccccc1	751131477	PZTSEUQBLIVKNJ-UHFFFAOYSA-N	322.372	1.987	50	20	DDGD	
CC(C)(C)N1C[C@H](C(=O)NNc2ccnc(Cl)c2)CC1=O	855469253	YENKHYJTOBWELA-SECBINFHSA-N	310.785	1.825	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cc(Br)cnc1F	858143602	OIEGYYSBKFPZLR-UHFFFAOYSA-N	304.119	1.400	50	20	DDGD	
CCCCO[C@H]1C[C@H](NC(=O)NNC(=O)c2cn[nH]c2)C1(C)C	858267770	HPSXJBNPPWZYTO-RYUDHWBXSA-N	323.397	1.338	50	20	DDGD	
COC(=O)COc1c(C)cc(C(=O)NNC(=O)C(C)C)cc1C	752502794	HVOQWNFSLIQLKZ-UHFFFAOYSA-N	322.361	1.272	50	20	DDGD	
COc1ccccc1CCC(=O)NNC(=O)OCC(F)(F)F	856026879	PVKGSXSHGLTYIT-UHFFFAOYSA-N	320.267	1.948	50	20	DDGD	
CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCSC#N	854363161	OCDXTULTTIJOAC-HNNXBMFYSA-N	317.414	1.680	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1)C1CCC1	859328484	QKBLVMHLKVXMSE-CQSZACIVSA-N	315.373	1.096	50	20	DDGD	
O=C(NN=Cc1cc(Cl)ccc1F)C(=O)Nc1ccccn1	753706626	AKNXLSZCBSIELV-UHFFFAOYSA-N	320.711	1.963	50	20	DDGD	
C[C@@H](NNC(=O)CCNc1ccccc1[N+](=O)[O-])C(F)(F)F	862307379	WAMIYXFZWODBKL-MRVPVSSYSA-N	320.271	1.968	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)cc[nH]1	862515670	ZUIWOKMPULVXPG-NEPJUHHUSA-N	306.366	1.168	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC1C[C@@H](C)O[C@H](C)C1	767187162	KJNIWIOLUNGIKA-VXGBXAGGSA-N	305.378	1.895	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)Nc1cccc2ccsc12	764335086	KZNJXCWOZJITLP-UHFFFAOYSA-N	317.370	1.787	50	20	DDGD	
CCc1cccnc1C(=O)NNC(=O)c1c(C)nc2ccccn12	766555150	MOZYLAYUJKHKKR-UHFFFAOYSA-N	323.356	1.675	50	20	DDGD	
C[C@@H]1c2ccc(Cl)n2CCN1C(=O)c1ccc(B(O)O)cc1	863882460	HUDBQAZPNVCGOB-SNVBAGLBSA-N	318.569	1.038	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(C(F)(F)F)nc1OCC	760168080	NHHQNBSUJQLZQI-UHFFFAOYSA-N	320.271	1.463	50	20	DDGD	
CCCC(CCc1ccccc1)=NNC(=O)CS(C)(=O)=O	863189192	CTUYURCRHCPRPA-UHFFFAOYSA-N	310.419	1.936	50	20	DDGD	
CCCn1cc(C(=O)NN=c2sc3ccccc3n2C)nn1	766288345	RMDALGKKGOWANI-UHFFFAOYSA-N	316.390	1.487	50	20	DDGD	
COC[C@H]1CCCN1NC(=O)/C(C#N)=C/c1ccc(F)cc1	862603762	UKWJLCKOBKECPZ-BMQCOBNYSA-N	303.337	1.875	50	20	DDGD	
COC(=O)[C@@H]1CN(C(=O)[C@@H](Br)C(C)(C)C)CCO1	767955863	PDKSTEVGBUURTO-DTWKUNHWSA-N	322.199	1.196	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(F)c(Cl)c(C(=O)OC)c1	934777864	XAEJQEHKVCHKLB-UHFFFAOYSA-N	317.704	1.828	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ncc(F)cc2F)nc1	760469129	BHTLICOVWSGUIJ-UHFFFAOYSA-N	308.244	1.298	50	20	DDGD	
CC1CC(C#N)(C(=O)NNC(=O)CSc2ccccc2O)C1	765248635	HKXWBUAJQMHZQN-UHFFFAOYSA-N	319.386	1.572	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)C(=O)Nc1ccsc1	763574998	OBBBMQBGAUXSQQ-UHFFFAOYSA-N	307.306	1.287	50	20	DDGD	
O=C(NN=C1CC[C@@H]1c1ccccc1)[C@H]1CCS(=O)(=O)C1	769776801	DLWPTRCCHQELQO-QWHCGFSZSA-N	306.387	1.471	50	20	DDGD	
COc1ccc(C(=O)NNCC(F)(F)C(F)(F)F)c(O)c1	863092704	GZQIMANUPKFZQA-UHFFFAOYSA-N	314.210	1.833	50	20	DDGD	
CC[C@H](C)CC[C@H](O)Cc1nc(-c2cccc(B(O)O)c2)no1	867055451	HWAOBCUJKMJENT-FZMZJTMJSA-N	318.182	1.146	50	20	DDGD	
COC(=O)c1c[nH]c2cc(NCc3cccc(B(O)O)c3)ccc12	864044593	FCUISAGNYKRQCO-UHFFFAOYSA-N	324.145	1.246	50	20	DDGD	
C=CCOc1cccc(NC(=O)C(=O)NNc2cnccn2)c1	766260786	XHWXZPJAZOXFJR-UHFFFAOYSA-N	313.317	1.123	50	20	DDGD	
COc1ccnc(NNC(=O)c2cncc(OC(C)C)c2)n1	764814857	RQIPAGIYSKHDQI-UHFFFAOYSA-N	303.322	1.424	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC(C(F)F)CC1	767082521	MNYNRJNGEUABFV-SNVBAGLBSA-N	305.369	1.546	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc[nH]1	875312662	GVSQWQWMQZNPRH-MGPQQGTHSA-N	304.394	1.642	50	20	DDGD	
O=C(CCO)NN=Cc1c(-c2ccccc2)nc2ccccn12	1116198955	BGLIMVYDDQDPCT-UHFFFAOYSA-N	308.341	1.834	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2cnc(C3CC3)o2)c1	877899124	LDNXRWHUVUVUOU-UHFFFAOYSA-N	315.329	1.700	50	20	DDGD	
COCC(=O)NNC(=O)Nc1nnc(-c2ccccc2)s1	775461013	UGSINUFXJXEDLV-UHFFFAOYSA-N	307.335	1.004	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cnn(Cc2ccccc2)c1	770350570	RHSLZHASXXXQCL-UHFFFAOYSA-N	301.350	1.740	50	20	DDGD	
CCOC(=O)NN=Cc1cc(Br)cnc1OC	872326621	QLEYNRIYCSLMJF-UHFFFAOYSA-N	302.128	1.933	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CNC2(CO)CCCCC2)c1	777621828	CKYXMIHAUSIFRA-UHFFFAOYSA-N	319.405	1.041	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc(C(=O)C(C)(C)C)cc1	775658912	ARHDNMTVCSJITF-UHFFFAOYSA-N	320.393	1.630	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2cc3n(n2)CCCC3)cc1	872411718	RHNCVWFXLUKTDZ-UHFFFAOYSA-N	312.329	1.682	50	20	DDGD	
COCCOc1cc(C(=O)NNc2ccc(Cl)nc2)ccn1	777523301	JUBOSRKJEZHAAE-UHFFFAOYSA-N	322.752	1.912	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2cccc(Br)n2)cn1	777887483	CHAPNCKQYIDVFP-UHFFFAOYSA-N	308.139	1.342	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cn(C)nc1-c1cccnc1	887141813	JYPFMBGHRABFSL-UHFFFAOYSA-N	311.345	1.047	50	20	DDGD	
CO[C@H]1CCC[C@H]1C(=O)NNc1ccc2c(=O)[nH]ccc2c1	1120647074	CHZKKYBMYNOZLE-KGLIPLIRSA-N	301.346	1.786	50	20	DDGD	
C=C/C=C/CCNC(=O)NNC(=O)CCOc1ccccc1	883461480	VXHYBCYWMTYFAK-ONEGZZNKSA-N	303.362	1.918	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)Cn1ccccc1=O	777479525	YYICMDIEXGZCRU-UHFFFAOYSA-N	308.341	1.848	50	20	DDGD	
CO[C@@H]1CCC[C@H]1CNC(=O)NNC(=O)c1ccc(C#N)cc1	774696800	FVKGMCZFDLSUPZ-UONOGXRCSA-N	316.361	1.317	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccccc2F)CC1)C1CCOCC1	883068771	HOFIBRNBZGGUTE-UHFFFAOYSA-N	320.364	1.722	50	20	DDGD	
CCn1cc(C(=O)C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)cn1	771592720	QMSUHCDSURBQSL-UHFFFAOYSA-N	321.268	1.276	50	20	DDGD	
Cc1csc(N2CCN(S(=O)(=O)CCCCl)CC2)n1	881788077	OCUAISKIUUTVQJ-UHFFFAOYSA-N	323.871	1.532	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@H]1CC(=O)N(c2ccccc2)C1	781363371	PHTHUIVTXZMAQM-NSHDSACASA-N	314.320	1.717	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCCn1c(=O)oc2ccccc21	780709272	OGIYAJHVRYMQQR-UHFFFAOYSA-N	320.349	1.067	50	20	DDGD	
N#C/C(=C\c1ccccc1)C(=O)OC[C@@H]1CCS(=O)(=O)C1	788996961	KAFQVCAUMDLBIQ-JGWKKKPCSA-N	305.355	1.571	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)[C@@H]1COCCN1CC(F)F	885142468	BWRRJRHHTVAZAW-NSHDSACASA-N	321.274	1.374	50	20	DDGD	
Cn1nc(Br)cc1C=NNC(=O)c1ccc(O)cc1	782113819	SRVQZALRNLRILZ-UHFFFAOYSA-N	323.150	1.652	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCc2ccc(O)nc2)nc1	787473331	HAUCOGKYPUGQOC-UHFFFAOYSA-N	316.317	1.045	50	20	DDGD	
Cn1c(S)nnc1CNC(=O)[C@@H](Br)C(C)(C)C	781083425	DVEBXZQVJHQMGW-SSDOTTSWSA-N	321.244	1.530	50	20	DDGD	
CC(C)n1cnnc1SCC(=O)NNc1ccnc(F)c1	781357548	ORLAUUSMCRSYLW-UHFFFAOYSA-N	310.358	1.629	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=S)Nc2ccc(N(C)C)cc2)CO1	784151343	DICAKELIWGOJCY-MNOVXSKESA-N	322.434	1.495	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C\c1ccc(C(=O)OC)c(C)c1	899341643	GERBNMMAKPHZAV-QENILXLESA-N	316.357	1.840	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](NC(C)C)c1ccc(OC)cc1	897722004	RLMGYDNRIAXAMI-CYBMUJFWSA-N	309.366	1.464	50	20	DDGD	
O=C(CCOCC(F)F)NNc1ccnc(Br)c1	790902358	UGFHGTPJOQBBSU-UHFFFAOYSA-N	324.125	1.959	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2ccc(OCC(=O)O)cc2)n1	794568736	SWRZFQSBFDCJPX-UHFFFAOYSA-N	313.313	1.617	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H]2CCC(=O)c3cccn32)n1	790783802	AGNHQECNBGTZOZ-SNVBAGLBSA-N	319.752	1.901	50	20	DDGD	
C[C@](O)(CSc1cccc(F)c1)C(=O)NNc1ncccn1	795048617	ZUHGWLNGIZOWPN-AWEZNQCLSA-N	322.365	1.602	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@](C)(O)CSc1cccc(F)c1	795588756	ZMLURSVERBFIGH-ZDUSSCGKSA-N	315.370	1.019	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2ccnc(C)c2)cc1	790494631	IWSNETCHEDPAPC-UHFFFAOYSA-N	314.345	1.272	50	20	DDGD	
CCN(CCI)[C@@H](C)CS(C)(=O)=O	190888958	QSZCNFOPTRAQOF-QMMMGPOBSA-N	319.208	1.176	50	20	DDGD	
CSSCCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C	791156852	GORGQWNAOQTXAT-UHFFFAOYSA-N	318.424	1.926	50	20	DDGD	
O=C(CCCCc1cnn[nH]1)NNc1ccc(F)c([N+](=O)[O-])c1	790061518	QPAGUBINKVAKRU-UHFFFAOYSA-N	322.300	1.708	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccc2nccnc2c1	798316348	WCWNYHXKJWTWOP-UHFFFAOYSA-N	313.239	1.136	50	20	DDGD	
O=C(c1cc(F)cc(Br)c1)N1CC[C@@H](B(O)O)C1	585069548	PJDXWJFMCAKXKM-MRVPVSSYSA-N	315.935	1.277	50	20	DDGD	
CC(C)O[C@@H](C(=O)NNC(=O)NCC1CC1)c1ccccc1	794245997	AFZOFKMFVKTFMA-CQSZACIVSA-N	305.378	1.893	50	20	DDGD	
O=C(NN=C1CCC[C@H]1CCF)c1ccc(-n2cnnn2)cc1	794880323	DCIZXPZMWOQWPR-NSHDSACASA-N	316.340	1.908	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)C(=O)c1ccccc1	792017363	HUIOLXNGTMXSNG-UHFFFAOYSA-N	316.288	1.235	50	20	DDGD	
O=C(Cc1cccnc1Br)NNc1ncccn1	791318547	ZMSJXROJQFCAHU-UHFFFAOYSA-N	308.139	1.320	50	20	DDGD	
C[C@@H]1C[C@@H]2CC[C@H](C(=O)NNC(=O)Cc3ccsc3)CN2C1	1146686022	WPWBXRUJFDQTLZ-XBFCOCLRSA-N	321.446	1.558	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)Cc2c(C)n[nH]c2C)o1	1319007472	DHNYQUMQMBGSLH-MRVPVSSYSA-N	304.350	1.568	50	20	DDGD	
O=C(CCc1ccc2c(c1)CCO2)NNC(=O)c1ccccn1	1319535533	AOBFHFKXHXSKLN-UHFFFAOYSA-N	311.341	1.410	50	20	DDGD	
COC(=O)CC(C)(C)N(C)C(=O)/C(C#N)=C\c1cnn(C)c1	1324485544	DXWNFQCBPIQFCA-SDQBBNPISA-N	304.350	1.127	50	20	DDGD	
Cc1ccccc1OCCC(=O)NNC(=O)N=c1cc[nH]cc1	1321777599	FQIAFJWPZAJRNU-UHFFFAOYSA-N	314.345	1.434	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cc3n(n2)CCCC3)c1Cl	1328607104	UWRFCMWRWLPWTN-UHFFFAOYSA-N	307.745	1.002	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Nc2cccc(F)n2)cc1	1320569849	OLOJJBXVPCKBPH-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
CC(C)[C@H](C)N(C)C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1328612034	CIKNBERUWLSILE-OUJBWJOFSA-N	319.243	1.779	50	20	DDGD	
CO[C@]1(C(=O)NNc2nc(O)c3ccccc3n2)CCSC1	1332757359	PFMVLFDZQNELPE-CQSZACIVSA-N	320.374	1.301	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ncoc2[C@H]2CCCO2)o1	1331531327	RCRUZKGBMFHBAU-SECBINFHSA-N	305.290	1.502	50	20	DDGD	
C[C@H]1CCC[C@H]1CC(=O)NNC(=O)c1n[nH]c2c1CCCC2	1338117759	HLTKYBRIYJAUFG-QWRGUYRKSA-N	304.394	1.876	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@@H](c1ccccn1)C1CC1	1332419923	HMSDPJJZEODMSL-CQSZACIVSA-N	318.377	1.290	50	20	DDGD	
CN[C@H](C)CCNC(=O)NNC(=O)CSc1ccc(C)cc1	1331466875	QWVIQYLVJKRYPA-GFCCVEGCSA-N	324.450	1.416	50	20	DDGD	
C=C[C@@H](COC)NC(=O)NNC(=O)c1cc2c(s1)CCC2	1342745648	VKCHFNFKIDKNMA-JTQLQIEISA-N	309.391	1.382	50	20	DDGD	
CC(C)CC(=O)N1CCCC[C@@H]1C(=O)NNc1ccncn1	1347021424	OKJUUSVPVYZRTL-GFCCVEGCSA-N	305.382	1.347	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1ccsc1Cl	1261702595	GVOHEPCNUHFIKO-UHFFFAOYSA-N	317.798	1.467	50	20	DDGD	
CCCNC(=O)[C@H](C)NC(=O)/C(C#N)=C/c1ccc(F)cc1	1347438356	VCPVAJRLCSDTDG-GJSJWPQCSA-N	303.337	1.764	50	20	DDGD	
CN1CCCC[C@@H]1CNC(=O)NNC(=O)Cc1ccccc1F	1341353460	UDRVWVLUZZWXIY-CYBMUJFWSA-N	322.384	1.183	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc(C3CC3)nn2C)cc1	1351092269	UZSPEWABVZWATM-UHFFFAOYSA-N	314.345	1.381	50	20	DDGD	
COC1(OC)CC(CNC(=O)NNc2ccc(Cl)cn2)C1	1514697018	VHOPWYZSWUQGIL-UHFFFAOYSA-N	314.773	1.760	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NCCSS(C)(=O)=O)c1	1600108955	FPHLXQHASHGTOQ-UHFFFAOYSA-N	317.388	1.116	50	20	DDGD	
Cc1cc(NC(=O)NNc2ccc(C#N)cn2)ncc1C(=O)O	1600270630	HXDYJANLPVXLTG-UHFFFAOYSA-N	312.289	1.504	50	20	DDGD	
CCOCc1nc(C)cc(NNC(=O)[C@@H](C(=O)O)C(C)C)n1	1603843708	ZKDPUKUNLSAZEN-LBPRGKRZSA-N	310.354	1.121	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1ccc2cccnc2n1	1605821192	WJMBHHXNSDKJLX-UHFFFAOYSA-N	309.285	1.480	50	20	DDGD	
O=C(NCc1cccc(F)n1)NNc1ccc(C(=O)O)cc1F	1601542336	HEABCVFCHYYVDW-UHFFFAOYSA-N	322.271	1.884	50	20	DDGD	
NC(=O)[C@H]1CCC[C@H](C(=O)NNc2ccc(C(=O)O)c(F)c2)C1	1601143851	BTWYCAIVCCEAQD-IUCAKERBSA-N	323.324	1.259	50	20	DDGD	
C[C@@H](CBr)CN[C@](C)(Cn1cccn1)C(=O)O	1604059385	FATOLSHBNJMAPK-GXSJLCMTSA-N	304.188	1.347	50	20	DDGD	
C=Cc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)cc1	1602889781	NTRANZMPPPQHEV-UHFFFAOYSA-N	307.317	1.662	50	20	DDGD	
O=C(NNc1ccc(F)cc1Cl)N[C@H]1C[C@@H](C(=O)O)C1	1601559027	IQZUVXKGNXDCCZ-WRXNHJIOSA-N	301.705	1.968	50	20	DDGD	
Cn1nc(C(=O)O)cc1NC(=O)NNc1cccc(Cl)n1	1601005174	WJISXCJYBGTFRT-UHFFFAOYSA-N	310.701	1.315	50	20	DDGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1C[C@@H](C(=O)O)C[C@@H](O)C1	1601063408	REQRTSFZFDDLND-UGYFDDLASA-N	317.301	1.227	50	20	DDGD	
Cc1cc(C)n([C@@H](C)CC(=O)NNc2ccc(C(=O)O)cn2)n1	1600178395	UREOEJLUSHBPNB-NSHDSACASA-N	317.349	1.688	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@H]1CC[C@@H](C(=O)O)C1	1605355869	WJBKRUAIQYRIHN-QWHCGFSZSA-N	304.346	1.186	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCS1)c1ccc(C(=O)O)c(F)c1	1601553882	YKEGNGSAFNXXRS-JTQLQIEISA-N	312.322	1.181	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCc3cc(C(=O)O)ccc32)cn1	1600944998	DBFXLCIUAXWSRN-NSIKDUERSA-N	322.324	1.615	50	20	DDGD	
CC(C)(C)[C@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)C(=O)O	1603525598	IVTDSKXNAMAUNO-RUNBWSAHSA-N	302.330	1.915	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)n1	1600512518	UKXVBRAVJHNXEB-WDEREUQCSA-N	305.334	1.042	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCO[C@H](CC(=O)O)C1	1610618256	DWUONEDZRZEQMN-YRBHFNIASA-N	318.304	1.435	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@H]2CCC[C@@H](C(=O)O)C2)c1	1610625893	HRKJIDCABWBZCW-VHSXEESVSA-N	322.752	1.941	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1scnc1C	1549315989	DJPKCQVNMKXUOC-VXGBXAGGSA-N	308.407	1.155	50	20	DDGD	
CCN[C@H](C)C(=O)NNC(=O)c1cc2ccccc2cc1O	1577807533	YFEXMIVELKTVHQ-SNVBAGLBSA-N	301.346	1.304	50	20	DDGD	
C=CCCC[C@H](N)C(=O)NNC(=O)c1ccc(Cl)cc1O	1574908352	KRJNZZKRXUKFNL-NSHDSACASA-N	311.769	1.490	50	20	DDGD	
CSCC[C@H](N)C(=O)NNc1nc2ccccc2[nH]c1=S	1579378901	PUPBJEZDCKBDFH-QMMMGPOBSA-N	323.447	1.816	50	20	DDGD	
C#CCN1CCC(C(=O)NNc2cccc(C(=O)O)c2C)CC1	1588471356	KFWAXTFFKYBAFL-UHFFFAOYSA-N	315.373	1.482	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NNc1ccc(C(=O)O)c(F)c1	1589813758	BEGNTAOMNLMYFK-GFCCVEGCSA-N	309.341	1.840	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@]12CCCNC2)c1cc2c(s1)CCC2	1580733429	URCWKVAXHIWQHU-MEDUHNTESA-N	319.430	1.388	50	20	DDGD	
C#Cc1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1	1588369986	GLIJAHTXZWMFON-UHFFFAOYSA-N	304.313	1.605	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1	1842806507	CTIFIFIDLUMBAX-LBPRGKRZSA-N	323.824	1.901	50	20	DDGD	
COc1cccnc1C(=O)NNc1cccc(F)c1C(=O)O	1599732444	PRNZHWJVGULULW-UHFFFAOYSA-N	305.265	1.684	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)COc1cccnc1	1599377415	YBPVZNIWCZBROU-UHFFFAOYSA-N	317.301	1.311	50	20	DDGD	
CN(C)c1nccc(NNC(=O)CC2(CC(=O)O)CCCC2)n1	1598359140	YYWXWYQDFGSTQF-UHFFFAOYSA-N	321.381	1.411	50	20	DDGD	
CN(NC(=O)Cn1cc(C(=O)O)c2ccccc21)c1ccccn1	1598541037	KKVYWBDJUKLUKE-UHFFFAOYSA-N	324.340	1.902	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl)[C@@H]1CC1(F)F	1796808385	BVGZJHCSBCMWGC-SVSWQMSJSA-N	324.730	1.814	50	20	DDGD	
CC(C)[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Cl)C2	1793229395	UCPZWGBLRJFZFX-IYKVGLELSA-N	320.792	1.176	50	20	DDGD	
Cc1ccc(C[C@H](C)NC(=O)NNC(=O)c2ccc[nH]2)s1	162083116	PSPIUMCHLMWGCB-VIFPVBQESA-N	306.391	1.960	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CCCc2ccccc2)n[nH]1	151235630	LQBWGXXKSKNEHB-UHFFFAOYSA-N	300.362	1.431	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCOc2cccc(C)c2C)[nH]n1	153277855	PRBKCRGKJITMCF-UHFFFAOYSA-N	316.361	1.565	50	20	DDGD	
CC(C)(C)N1C[C@H](NS(=O)(=O)CCCCCl)CC1=O	154516584	GZMHKZKAUQCXOL-SNVBAGLBSA-N	310.847	1.324	50	20	DDGD	
COC(=O)N1CCC(NC(=O)NNc2c(C)cccc2F)CC1	274518417	NDOOPOHLSNDBQL-UHFFFAOYSA-N	324.356	1.991	50	20	DDGD	
C[C@H](O)[C@H]1CCN(S(=O)(=O)c2ccc(CCl)cc2)C1	311384702	OJCKLNNJJLLHGQ-JQWIXIFHSA-N	303.811	1.817	50	20	DDGD	
C=C(C)CNC(=S)NNC(=O)COc1ccccc1[N+](=O)[O-]	7642963	JFZYTDQXNPGUFQ-UHFFFAOYSA-N	324.362	1.045	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccc(Cl)cc2C1)c1ccc[nH]1	7849143	ZNNFIFFCDXFJMU-SNVBAGLBSA-N	319.748	1.680	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@@]1(O)CCCc2ccccc21	109150244	JEUXARUWMFKMHW-KRWDZBQOSA-N	319.405	1.587	50	20	DDGD	
Cc1nc(-c2cccc(NC(=O)NNC(=O)C(C)(C)C)c2)n[nH]1	179837346	QBXBYPCQNPEGOL-UHFFFAOYSA-N	316.365	1.979	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])o2)c1	103403121	YIMXRXMCTZWROA-UHFFFAOYSA-N	300.230	1.134	50	20	DDGD	
Cc1ccsc1C(=O)NNC(=O)c1ccc2c(c1)OCCO2	22009595	STNGNGNQIZXFLL-UHFFFAOYSA-N	318.354	1.903	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCN(C2CCC(C)CC2)CC1	115566337	PVHHHEGINHNGEP-SHARSMKWSA-N	324.469	1.129	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1ccc(C(F)(F)F)cc1	53755275	WAGJNFRDEVHDJX-UHFFFAOYSA-N	317.336	1.929	50	20	DDGD	
CCOc1ccccc1OCCCC(=O)NNC(=O)NC1CC1	64428404	MFHHFNPJKWAQNK-UHFFFAOYSA-N	321.377	1.737	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@@]2(C)CCCO2)cc(C#N)n1C	176038313	UVWGHAVHRACRLS-OEXZBZRSSA-N	312.373	1.797	50	20	DDGD	
C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)NNC(=O)C(=O)N1CCCC1	175863196	PLKMORQIDFYCHP-RYUDHWBXSA-N	324.425	1.154	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccc(Cl)nn2)cc1	118502058	RHZQBOXBXJXHKI-UHFFFAOYSA-N	306.709	1.674	50	20	DDGD	
CCC(=O)N1CCC[C@@H](C(=O)NNc2ccc(Cl)nn2)C1	118497207	GAYLRIFOURBBBN-SECBINFHSA-N	311.773	1.222	50	20	DDGD	
CCc1noc2ncc(C(=O)NNc3ccc(Cl)nn3)cc12	118503325	NZHQHNRLJGOMPO-UHFFFAOYSA-N	318.724	1.986	50	20	DDGD	
O=C(CCc1ccc(F)cc1)NNC(=O)NCc1ccco1	65177163	LRBPKKYDQFDRPE-UHFFFAOYSA-N	305.309	1.882	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)NC3CC3)on2)cc1	64900458	GKGDCVJQEFNPRU-UHFFFAOYSA-N	300.318	1.756	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cc3cc(F)ccc3s2)cn1	172129671	XQQLBLDVBSBGTP-UHFFFAOYSA-N	318.333	1.849	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C[C@@H](C)C1CC1	63638761	JXHXULVVRWOVIM-LLVKDONJSA-N	306.362	1.658	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNC(=O)CCOc1ccccc1	61479661	SEKDQPQPKGAQPI-UHFFFAOYSA-N	317.345	1.450	50	20	DDGD	
CCc1ccc(OCC(=O)NNC(=S)N[C@H](C)C2CC2)cc1	171168271	WWOSMBZYACZGBF-LLVKDONJSA-N	321.446	1.922	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cccn2C)c(C)c1	125091776	KMPVOVRHLHGVMH-UHFFFAOYSA-N	300.362	1.515	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCC(F)(F)F	60414886	KWJHOVVTSDTHOM-UHFFFAOYSA-N	305.256	1.130	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])c(O)c1	129517566	POSOFWBKKFUESQ-WQLSENKSSA-N	319.317	1.750	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)Cc1ccccc1F)C1CC1	126899551	TTWGGZMZQSFZLK-ZDUSSCGKSA-N	309.341	1.124	50	20	DDGD	
CNS(=O)(=O)c1ccc(C(=O)NNc2cc(C)cc(C)c2)o1	120971432	QITAEKMBUIBTSR-UHFFFAOYSA-N	323.374	1.561	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cccc(C)c1F	128695132	KGLGVBJWVLDXDT-UHFFFAOYSA-N	309.341	1.200	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)c1ccc(F)cc1)[C@H]1CCCO1	182253029	IMTXEVOFBGCBKK-ZIAGYGMSSA-N	323.368	1.134	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)Cc2cccnc2)c1C	126946902	UHYZJYAKTPLQAA-UHFFFAOYSA-N	315.377	1.390	50	20	DDGD	
O=C(NNc1ccccn1)c1cn(Cc2cccs2)nn1	181222093	NIIQZLXVVSCHNU-UHFFFAOYSA-N	300.347	1.540	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@H]2C[C@@]2(C)C(C)C)c1O	186525090	CLCMXCSHWGAOBE-BZNIZROVSA-N	306.362	1.844	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NNc1ccc(OC(F)F)cc1	121746258	IVBITWHORMZCHP-SNVBAGLBSA-N	316.308	1.568	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc([S@](C)=O)c(F)c1	186172797	WXAKGOLKGOLFJD-PPRQPISWSA-N	315.370	1.762	50	20	DDGD	
CN(C(=O)c1cccc(CCl)c1)[C@H]1CCS(=O)(=O)C1	37391787	ITPASILCZJSTIN-LBPRGKRZSA-N	301.795	1.685	50	20	DDGD	
CSCc1ccccc1NC(=O)NNC(=O)Cc1cc[nH]n1	184829046	YVHADHHYXFVTER-UHFFFAOYSA-N	319.390	1.668	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1sc2ccccc2c1Cl	75653062	GOZUQJKVKITUBM-UHFFFAOYSA-N	311.794	1.877	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)CC[C@H](C)OC	180773993	KTPXYIFEOGGHRL-LBPRGKRZSA-N	308.378	1.590	50	20	DDGD	
C[C@H](Oc1ccccc1)C(=O)NNC(=O)CNc1ccccc1	78400095	KVSKWQHVFOMWGB-ZDUSSCGKSA-N	313.357	1.713	50	20	DDGD	
C[C@H]1CCc2[nH]c3ccc(C(=O)NNC(=O)CO)cc3c2C1	180963821	QZFJVMRRQPJKEV-VIFPVBQESA-N	301.346	1.046	50	20	DDGD	
COC(=O)NNC(=O)Nc1cccc(C(=O)N2CCCCC2)c1	48097117	URWBMIAFIZHIAG-UHFFFAOYSA-N	320.349	1.705	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)C(F)(F)C1(O)CCC1	132510204	DKTVBDIIHYMLFP-UHFFFAOYSA-N	324.287	1.730	50	20	DDGD	
CCC(CC)NC(=O)NNC(=O)c1ccc2c(c1)OCCO2	42954725	DORWYEYYSLTIOW-UHFFFAOYSA-N	307.350	1.590	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)c2ccc(C#N)cc2)cc1O	89438532	GCUQZOAKAAGVMZ-UHFFFAOYSA-N	309.325	1.576	50	20	DDGD	
CCc1ncsc1NC(=O)C(=O)NNc1ccccc1F	137246295	ZVOKRAGOJBYWCZ-UHFFFAOYSA-N	308.338	1.926	50	20	DDGD	
O=C(Cc1ccc(O)cc1)NNC(=O)Cn1ccc2ccccc21	133662421	SUOYDNKHZFFXKA-UHFFFAOYSA-N	323.352	1.737	50	20	DDGD	
CN1C[C@H](C(=O)NNc2c(Cl)cccc2Cl)CC1=O	132925884	CWGAYRZRHGNJIY-SSDOTTSWSA-N	302.161	1.915	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCc2ccc(F)cc2)o1	84069952	GNHVSTAURCLOLX-UHFFFAOYSA-N	305.309	1.914	50	20	DDGD	
CO[C@]1(C)C[C@@H](NC(=O)NNC(=O)c2ccc(C)o2)C1(C)C	84162734	RVLKJSWMKDWNGR-IAQYHMDHSA-N	309.366	1.736	50	20	DDGD	
CC(C)COc1ccc(CC(=O)NNC(=O)C(C)(C)O)cc1	190072012	VUJKPACXGZJISF-UHFFFAOYSA-N	308.378	1.182	50	20	DDGD	
Cc1ccc(C(=O)NN/C=C2\C(=O)NC(=O)c3ccccc32)o1	255195080	ANENWRAIENAHRF-WQLSENKSSA-N	311.297	1.134	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1ccc2nc(O)ccc2c1	267494311	DWCLPYKLOVWUEL-UHFFFAOYSA-N	323.374	1.296	50	20	DDGD	
C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NNc1ccc(Cl)nn1	268102624	AJIQHDCDYVCEPY-WPRPVWTQSA-N	310.789	1.239	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)COc2cccc(C)c2)O1	268317400	JSYXYTBFGQKPAM-OCCSQVGLSA-N	306.362	1.479	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@H]1CCCOC1	263897359	AJCOTKKKEPNFQY-LBPRGKRZSA-N	322.361	1.038	50	20	DDGD	
C[C@H](CO[C@H]1CCOC1)NC(=O)NNc1cccc([N+](=O)[O-])c1	267885255	PYYAQQAVNIPFSD-MFKMUULPSA-N	324.337	1.415	50	20	DDGD	
COCC1(CNC(=O)NNC(=O)OC(C)(C)C)CCOCC1	368308609	UZJXKDAAPVTBLG-UHFFFAOYSA-N	317.386	1.169	50	20	DDGD	
CCCn1ccc2ccc(NC(=O)C(=O)NNC(=O)OC)cc21	274189993	JVNNKNVRYOYVKS-UHFFFAOYSA-N	318.333	1.377	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)CC[C@H](C)OC)cc1OC	272860108	RVLXSKZWNZWASF-NSHDSACASA-N	324.377	1.670	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)CNc1cccc(OC)c1	274181778	JRWFKNJLSYOLGM-UHFFFAOYSA-N	323.393	1.317	50	20	DDGD	
CC1CCC(OCC(=O)NNC(=O)c2ccc(C#N)cc2)CC1	279620114	ARNUDJUWUGRELI-UHFFFAOYSA-N	315.373	1.915	50	20	DDGD	
COc1nccnc1NNC(=O)c1csc(C(C)(C)C)n1	274126787	UPNPIVRNLQXLDM-UHFFFAOYSA-N	307.379	1.996	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C	274104279	XQRUCTGDKWYWOP-QMMMGPOBSA-N	322.321	1.035	50	20	DDGD	
CCCOc1ccc(C(=O)NN[C@H](CC)C(=O)OC)cc1OC	279961815	YJNZGIMSGDPIPO-GFCCVEGCSA-N	324.377	1.670	50	20	DDGD	
C=C(C)[C@H](CC(=O)NNc1nc(-c2ccncc2)no1)OCC	270133612	YIDZNFHYTGQPQV-LBPRGKRZSA-N	317.349	1.946	50	20	DDGD	
CSSCCNC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1	283903040	DDWGUFUXLUSZTB-UHFFFAOYSA-N	324.431	1.312	50	20	DDGD	
CC(=O)NNC(=O)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1	281043566	DTXWCDJQWVHNCA-SKDRFNHKSA-N	300.717	1.724	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@](C)(OC)c1ccccc1F	281302313	RNNUFKVBYOQWCW-AWEZNQCLSA-N	311.382	1.369	50	20	DDGD	
COC(=O)[C@H]1CC[C@H]1C(=O)NNc1ncnc2ccsc12	286871234	YZGSJIUWADLWOG-SFYZADRCSA-N	306.347	1.334	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)Nc2cc(C)on2)c1	804030280	PVTGWBXUSGWLIY-UHFFFAOYSA-N	320.305	1.467	50	20	DDGD	
C[C@H](CNC(=O)OC(C)(C)C)C(=O)NNc1ncc(F)cn1	802912766	FZPRMFXNFTWVTI-MRVPVSSYSA-N	313.333	1.220	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)Nc1ccc(N(C)C)cc1)N(C)C	802117133	GIXFJPGVIAGZNC-CQSZACIVSA-N	321.425	1.492	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N[C@@H](C)CN(C)C)c1ccccc1	807577492	UPGOLOTUJXZNGO-GXTWGEPZSA-N	306.410	1.461	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](C)Cc1cnc2ccccc2n1	293498425	OLSMYVZUBNXQRO-NSHDSACASA-N	315.377	1.501	50	20	DDGD	
O=C(c1ccccc1)c1nc[nH]c1C(=O)NNc1cnccn1	806861065	HRSKZQMJPZGZHE-UHFFFAOYSA-N	308.301	1.188	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)Nc2cc(F)cc(F)c2)CCO1	802001816	VKLCLEWAQPXRJS-IUCAKERBSA-N	313.304	1.933	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@@H]2O[C@H](C)C[C@H]2C)c1	800687695	FNDFFAGPLISVEL-UEKVPHQBSA-N	321.377	1.068	50	20	DDGD	
COC(=O)NNC(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1	298304215	NMKDLFMUNBJYRN-UHFFFAOYSA-N	318.333	1.173	50	20	DDGD	
CC1(O)CCN(C(=O)NNC(=O)CCCc2ccccc2)CC1	296424366	SKFMJFCOUJEBDL-UHFFFAOYSA-N	319.405	1.597	50	20	DDGD	
CC(C)(C)OC(=O)C1CCC(=NNC(=O)Cc2cc[nH]n2)CC1	814955451	HOXJUNBWERMJEH-UHFFFAOYSA-N	320.393	1.956	50	20	DDGD	
O=C(NNc1ncncc1F)c1occc1Br	817083234	CVZNAYFQFLNRGT-UHFFFAOYSA-N	301.075	1.728	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CC[C@H](C(=O)O)[C@H](C)C1	814864403	CMKIWFVMBRCSTF-FOGDFJRCSA-N	300.355	1.031	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@](C)(O)C2CCC2)c1	813372520	LFMKYCRMLHQSQJ-MRXNPFEDSA-N	305.378	1.065	50	20	DDGD	
CC(C)(C)CC(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1F	819906099	CPPAIOQRMQTDIW-UHFFFAOYSA-N	304.329	1.892	50	20	DDGD	
Cc1ccc2snc(C(=O)NNC(=O)c3cnn(C)c3)c2c1	815646401	JEDBRFDIWBSWCP-UHFFFAOYSA-N	315.358	1.413	50	20	DDGD	
Cn1c2c(ccc1=O)C(=NNC(=O)N=c1cc[nH]cc1)CCC2	815003985	SBLYRMDVIJDWQN-UHFFFAOYSA-N	311.345	1.064	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2cc(O)ccc2Cl)n1	810956481	DCNDHQJWESVTSZ-UHFFFAOYSA-N	314.132	1.828	50	20	DDGD	
CCOc1ccc(NNC(=O)c2ccnc3c2nnn3C)cc1	817882229	FELGCKOVGPCEHP-UHFFFAOYSA-N	312.333	1.519	50	20	DDGD	
O=C(NNc1ncncc1F)N[C@@H]1C[C@H]1c1cccc(F)c1	814290533	JLAIPLVNCLDNSY-CMPLNLGQSA-N	305.288	1.937	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@H](CN1CCCC1)c1ccccc1	824627466	ODMMKYGJDKOYLY-CQSZACIVSA-N	304.394	1.168	50	20	DDGD	
CCN(CCO)NC(=O)Cc1cccc(C)c1Br	823897654	IGIBJXBLJFGHIQ-UHFFFAOYSA-N	315.211	1.645	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C	492329044	PNJLPTGIQGSQLJ-WDEREUQCSA-N	313.398	1.435	50	20	DDGD	
NS(=O)(=O)c1ccc(CCC(=O)NNc2ccccc2)cc1	825130670	DEYCWYYMJSEELP-UHFFFAOYSA-N	319.386	1.410	50	20	DDGD	
CC(=NNC(=O)C1CCN(c2ncccn2)CC1)c1cccnc1	728784102	WQHMBIYJZKEGPV-UHFFFAOYSA-N	324.388	1.628	50	20	DDGD	
O=[N+]([O-])c1cnc2c(F)c(F)ccc2c1N1CC[C@H](B(O)O)C1	585078681	JOXMUPYNCAHGHI-ZETCQYMHSA-N	323.064	1.474	50	20	DDGD	
C#CCO[C@H](C)C(=O)NNC(=O)CCSc1ccc(F)cc1	822209907	DJVYNZKGVOQBHR-LLVKDONJSA-N	324.377	1.494	50	20	DDGD	
O=C(CCC1CCOCC1)NNc1ccc(-c2nn[nH]n2)cc1	826405882	XRJYMWDPAHUMIM-UHFFFAOYSA-N	316.365	1.517	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCc2nc(N)ncc2C1	491087653	XMUQUUIGMBCVMK-GHXNOFRVSA-N	323.331	1.690	50	20	DDGD	
COc1cccc(C(=O)NN(C)[C@@H](C)CO)c1OC(F)F	823977290	SWUHGDAXENSNHY-QMMMGPOBSA-N	304.293	1.254	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)NNc1ncc(Cl)cc1Cl	907476063	DNFMVWKJJRDTPD-SECBINFHSA-N	317.176	1.842	50	20	DDGD	
Cn1cc(-c2nn[nH]n2)cc1C(=O)NNc1cccc(F)c1F	822645975	ZLJKMRZSROKSOR-UHFFFAOYSA-N	319.275	1.240	50	20	DDGD	
CN(CCc1cccc(NCc2cccc(B(O)O)c2)c1)C1CC1	585033511	CSGFXIYGYQGVJK-UHFFFAOYSA-N	324.233	1.615	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cc(OC)c(C)cc1C	495846495	CMOCJPHBSYWKRY-UHFFFAOYSA-N	309.322	1.028	50	20	DDGD	
OB(O)c1ccc(CNC[C@H]2CCC3(CCCC3)O2)c(F)c1	585045060	AKQHLGPJCRBREC-CQSZACIVSA-N	307.174	1.087	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(OC)c([N+](=O)[O-])c1	730145775	OVWIXBZBCRTKBF-UHFFFAOYSA-N	310.310	1.273	50	20	DDGD	
CC(C)c1nc(CCNCc2ccc(B(O)O)cc2)cs1	585020743	HWFSXUAOKCTAET-UHFFFAOYSA-N	304.224	1.279	50	20	DDGD	
CCO[C@@H]1C[C@@H](NCC(=O)NNC(=O)C(C)(C)C)C12CCC2	831314145	GHLCVUKYBHPOLV-VXGBXAGGSA-N	311.426	1.117	50	20	DDGD	
C[C@H](OCc1ccccc1)C(=O)NNC(=O)[C@H]1CCCCO1	833242868	PKAKVPNRKBZHOX-GXTWGEPZSA-N	306.362	1.308	50	20	DDGD	
CC(F)(F)c1ccc(CNCc2ccccc2B(O)O)cc1	585043468	OYMDPRNHMJEWKU-UHFFFAOYSA-N	305.133	1.768	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C2CCCC2)cn2ccnc12	836688945	BZPMZKZJUGQZDQ-UHFFFAOYSA-N	301.350	1.986	50	20	DDGD	
C[C@H]1CCCC[C@H]1CCNC(=O)c1cc(B(O)O)ccc1F	584947267	KHAJWBNSQLPJQQ-RYUDHWBXSA-N	307.174	1.452	50	20	DDGD	
NC(=O)NC1(C(=O)NNc2cccc(Cl)c2Cl)CC1	838347656	TVAHIVQXSYPHBW-UHFFFAOYSA-N	303.149	1.637	50	20	DDGD	
OB(O)c1ccc(CN[C@H](c2cc3ccccc3o2)C2CC2)o1	585023420	KZYMKTNZWLAUMT-KRWDZBQOSA-N	311.146	1.947	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)C1CCOCC1)c1cccs1	905568874	PETPZXXJPXECAC-SECBINFHSA-N	313.448	1.731	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=Cc2cccc(C#N)c2)cc1	839391698	CVBXVQHLHBDRDS-UHFFFAOYSA-N	304.309	1.959	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1cccc(OCC(=O)O)c1	737129316	JBZXGGMVVVJQQL-FMIVXFBMSA-N	304.302	1.210	50	20	DDGD	
COC[C@@H](OC)C(=O)NNc1ccc(Br)cc1	830771815	SOAUAKLVFQMDEH-SNVBAGLBSA-N	303.156	1.554	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)N[C@@H](C1CCC1)C1CC1	838744396	OUJZPOFEJGWAIY-ZDUSSCGKSA-N	300.366	1.934	50	20	DDGD	
COCCN(C)NC(=O)c1cc(C(=O)OC)ccc1Cl	837626780	HJKVTJZBEFLUOR-UHFFFAOYSA-N	300.742	1.350	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@H](CN1CCCC1)c1ccccc1	916469156	JDUSYZSCNSWDDT-OAHLLOKOSA-N	318.421	1.810	50	20	DDGD	
C[C@@H](NCc1cccc(B(O)O)c1)c1cccc(N2CCCC2)c1	585027890	AIZXLODVJSVNET-OAHLLOKOSA-N	324.233	1.817	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCCCN1CCC[C@@H](C)C1	916504181	WHLXXMNXHMGDEL-CQSZACIVSA-N	312.458	1.875	50	20	DDGD	
CCCN(CCN1CCCCC1)[C@@H](C)C(=O)NNC(=O)CC	839601522	RONNMTNOMPCOHC-AWEZNQCLSA-N	312.458	1.130	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCCO1)c1ccc([S@@](C)=O)cc1	834989268	QDZOPUHUJIYXLB-SPLOXXLWSA-N	308.403	1.833	50	20	DDGD	
O=C(CCC(F)(F)F)NNC(=O)Cn1cnc2ccccc21	742472915	WUUNWJVQDSXWJJ-UHFFFAOYSA-N	314.267	1.526	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(COc2ccccc2F)on1	910160258	MNUZJAHHPVNQDT-SNVBAGLBSA-N	323.324	1.350	50	20	DDGD	
NNC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O	841886256	MBIZMJBARXLXLA-SECBINFHSA-N	317.176	1.662	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2cnccc2C)c1	742032815	AFWZEKWHEKBTJY-UHFFFAOYSA-N	313.357	1.847	50	20	DDGD	
COc1ccccc1OCCNC(=O)NNC(=O)C(C)(C)C	915889755	MUCBSADFOKCURG-UHFFFAOYSA-N	309.366	1.451	50	20	DDGD	
C[C@H](NC(=O)NN=c1sc2ccccc2n1C)[C@@H]1CCOC1	743652431	VCSQBMFQUFBNNR-WDEREUQCSA-N	320.418	1.780	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@H](CC(C)C)OC)n1	841592923	SFRRQJOATMOPDM-NSHDSACASA-N	311.386	1.481	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C1C[C@@H](C)n2ncnc21	841604097	OPUAUNXXQPTWCI-SNVBAGLBSA-N	314.349	1.184	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cccc2c1OCCCO2	842553221	FWLIOIDQPPNCRC-WCQYABFASA-N	304.346	1.723	50	20	DDGD	
CCOC(=O)c1ccc(C=NNC(=O)Cc2csc(C)n2)o1	748243807	DZYXZOVHRVYGEM-UHFFFAOYSA-N	321.358	1.914	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CC[C@H](C)C[C@H]1C	748635249	QOOWTIXHEHPIQC-UMSGYPCISA-N	315.414	1.193	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)[C@H]1CCCS(=O)(=O)C1	845857534	ILDZKHOYEUYENF-ZETCQYMHSA-N	322.308	1.372	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(=O)c2ccc(Cl)cc2o1	910147126	PGLWACNRJYXVON-QMMMGPOBSA-N	310.737	1.404	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1ccc(C)c(C)c1O	748254344	ZPLFUXTUHGPHKW-CYBMUJFWSA-N	308.378	1.901	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@H]1COc2ccccc2C1	918365884	OMEPSYJAWWBBAJ-SECBINFHSA-N	302.252	1.338	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)/C=C\SCc1ccco1	843654858	SVTHOHMERUTKSH-ZNYSMOTLSA-N	310.375	1.599	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=CCCc1ccc2c(c1)OCCO2	842550999	BEMFAGOIDRCHMV-GXTWGEPZSA-N	318.373	1.917	50	20	DDGD	
Cc1cc(C)c2cc(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)[nH]c2c1	843977576	UEVTXNMCUPLBFE-RYUDHWBXSA-N	315.373	1.971	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)Cc1ccncc1)[C@H]1CC1(C)C	841594023	PLGYXEPFTGJJHL-OLZOCXBDSA-N	304.394	1.779	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)C[C@H](C)n1ccnc1	844429563	SEXRNPFRYLYCFI-ZDUSSCGKSA-N	300.362	1.533	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)n1cncn1	746889075	JBRYKEUJCFRKCA-QMMMGPOBSA-N	324.266	1.873	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)CCc1ccccc1O	846633810	DYYXMKHOCBMXKV-UHFFFAOYSA-N	301.346	1.677	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](CC)C(=O)NCc1cccs1	844026897	WHXOZYZIOZDCPY-OEYXZAGESA-N	321.402	1.703	50	20	DDGD	
CC(C)[C@H](NC(=O)NNc1ncc(Cl)cn1)c1cnn(C)c1	927433402	YIFKLWQNBMPUHV-NSHDSACASA-N	323.788	1.887	50	20	DDGD	
Cc1cccc(NCCNC(=O)NNC(=O)CC(F)(F)F)n1	927474793	RGRVUPJKQJEPPW-UHFFFAOYSA-N	319.287	1.085	50	20	DDGD	
CC(C)[C@H](N)CNC(=O)NNc1ccc(OC(F)F)cc1	841943136	HCGBEXNMFRPPCO-LLVKDONJSA-N	302.325	1.897	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)NC[C@H]1CCC[C@H]1C1CC1	840392309	HYOBCTQSROZGRL-OCCSQVGLSA-N	317.393	1.666	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCOc2ccccc2)nc1	759739943	ZPOJKBBVSWPHBW-UHFFFAOYSA-N	315.329	1.780	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)C1(n2cnnn2)CC1	854579685	RLJIMCDRCAVCSV-UHFFFAOYSA-N	300.366	1.737	50	20	DDGD	
CCCNC(=O)/C(C#N)=C/c1cccc(NS(C)(=O)=O)c1	853005434	QDNGIGHSKDYZLR-XYOKQWHBSA-N	307.375	1.491	50	20	DDGD	
C[C@@H](C(=O)NNc1nc(-c2ccccc2)no1)[C@H]1CCC(=O)N1	859316178	ODHVCFCRIIKCFZ-MWLCHTKSSA-N	315.333	1.094	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)NCCOCCN(C)C	922144911	JTALOZVYVCGLNN-UHFFFAOYSA-N	314.817	1.853	50	20	DDGD	
CC[C@H](C)[C@@H](OC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)OC	922773668	ZDHBLZVGHWSGSV-AGPAIEIJSA-N	305.334	1.458	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NC2CCCC2)c(C(F)F)n1	755165013	IZCCDYGZHGWQKT-UHFFFAOYSA-N	301.297	1.244	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCc1cc(OC)cc(OC)c1	854927598	CJCCDPYXCPUSCU-UHFFFAOYSA-N	311.407	1.104	50	20	DDGD	
CC(C)NC(=O)CCNC(=O)NC[C@]1(C)C[C@H]1Br	856824218	CUTRSMQBTYYFBG-SKDRFNHKSA-N	320.231	1.374	50	20	DDGD	
CC[C@@H](CC(=O)NN(C)C(=S)NCCCOC)C(C)C	854281002	MOQXOJINFPOJBU-LBPRGKRZSA-N	303.472	1.933	50	20	DDGD	
COCCCNC(=O)NN=C1CN(Cc2ccccc2)C[C@@H]1C	751524998	CGIKRNYTDFYYJZ-AWEZNQCLSA-N	318.421	1.830	50	20	DDGD	
CCC(=NNC(=O)C(=O)NC(C)C)c1ccc(N(C)C)cc1	759197689	VLALIJFHDYUQHQ-UHFFFAOYSA-N	304.394	1.508	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)c2cccc(F)n2)CCCS1	852201960	UTHUODVJZWIZQP-ZDUSSCGKSA-N	312.370	1.450	50	20	DDGD	
O=C(NNc1c(F)cccc1F)N[C@H]1CCCS(=O)(=O)C1	758651075	SAFNOANMGBWKIZ-QMMMGPOBSA-N	319.333	1.168	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccon2)c2ccccc2n1	757852708	ZHWGCUSUOKOVFU-UHFFFAOYSA-N	311.301	1.998	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccc(C(=O)NC2CC2)cc1	756923547	VKDBZMJGNPBMFM-UHFFFAOYSA-N	315.373	1.530	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H]1C[C@H](OC)C1(C)C	753426161	VBUWNTPISVKCPI-OLZOCXBDSA-N	321.377	1.453	50	20	DDGD	
CSC(C)(C)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855828807	KGKQDVZSLSHFQN-UHFFFAOYSA-N	317.455	1.218	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)[C@@H]1[C@H]2CCCC[C@H]21	855831104	GCJOLKHLZSGAKO-IMRBUKKESA-N	323.437	1.513	50	20	DDGD	
Cc1nnccc1C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	753144897	VUMGXIQVMFOKTC-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
CCc1nn(C)c(CC)c1C=NNC(=O)c1sc(N)nc1C	755633097	YLNTYHSVGGYTQR-UHFFFAOYSA-N	320.422	1.656	50	20	DDGD	
C[C@@]1(CNC(=O)NCCc2cnccn2)C[C@@H]1Br	856846837	NMTHNKXDLPBEPA-JQWIXIFHSA-N	313.199	1.492	50	20	DDGD	
COc1cccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)c1C	855094909	HLIUDZXFCWGQJY-JTQLQIEISA-N	307.419	1.911	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)Cc2occc2C)cc1	854510072	IAVWEEJNRRTEQH-UHFFFAOYSA-N	316.357	1.919	50	20	DDGD	
Cc1nnc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)s1	854191520	LNDDACPZELZRBG-UHFFFAOYSA-N	320.374	1.303	50	20	DDGD	
CC(C)(C)N1C[C@@H](C(=O)NNc2ncc(Cl)cn2)CC1=O	857356395	ZQMJLSXAQDDPFU-QMMMGPOBSA-N	311.773	1.220	50	20	DDGD	
CNC(=S)N(C)NC(=O)C[C@H]1CSc2ccccc2O1	854928026	UVSMMJAZCVKMCX-VIFPVBQESA-N	311.432	1.397	50	20	DDGD	
C[C@H](Cn1cccn1)NC(=O)NNC(=O)CCc1ccccc1	750324606	KJMFMEIROWPFEE-CYBMUJFWSA-N	315.377	1.235	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1ccc2cccnn12	753487281	RQPMBIREMZNPKH-UHFFFAOYSA-N	312.304	1.477	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](COC)c1cccc(OC)c1	855526764	VBGAHWYJZWHDJH-VSKPTYQZSA-N	304.346	1.943	50	20	DDGD	
COC(=O)c1cnn(CC(=O)OC[C@@H](C)CBr)c1	859973458	YXPVEIDJYGQESP-QMMMGPOBSA-N	319.155	1.244	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C[C@H]1CC[C@@H](C)C1	854282607	NJGIIUIWFTVUBG-NEPJUHHUSA-N	301.456	1.687	50	20	DDGD	
CCc1ncsc1NC(=O)NNC(=O)c1ccccc1O	757755388	JJSBCKTVHHYUJW-UHFFFAOYSA-N	306.347	1.878	50	20	DDGD	
CC(C)n1ncc(C(=O)NC[C@@]2(C)C[C@@H]2Br)c1N	857394328	MFHYCVMPDGSQQB-JOYOIKCWSA-N	315.215	1.950	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53)C(F)(F)F	862317722	LUNJUVWJUDFUEZ-YTGCWWOMSA-N	300.324	1.952	50	20	DDGD	
Cc1ccc(C(=O)NNCC(F)(F)C(F)(F)F)c(O)c1O	863096959	AQRUHKAHYQFPQN-UHFFFAOYSA-N	314.210	1.838	50	20	DDGD	
COc1cc(NNC(=O)[C@H](C)[C@H]2CCC(=O)N2)ccc1Cl	861401963	KZCMNIFPDFXODG-LDYMZIIASA-N	311.769	1.706	50	20	DDGD	
N#Cc1ccc2c(c1)CCCCC2=NNC(=O)[C@@H]1CCC(=O)N1	863153639	XYLWQXITWGCVDG-HNNXBMFYSA-N	310.357	1.384	50	20	DDGD	
CCN(CC)c1ccc(C=NNC(=O)c2cn[nH]c2)c(O)c1	863156286	URRAOSUXDIKLST-UHFFFAOYSA-N	301.350	1.725	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@@H]1CCSC1	761804434	BMPWHGHJGQVCJM-SNVBAGLBSA-N	303.387	1.611	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2c(Cl)cccc2Cl)N1	863144843	BWVUVXYADJGDSD-JTQLQIEISA-N	300.145	1.722	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2cnc(C3OCCO3)s2)o1	761812206	XSOSGEIMNCBITL-UHFFFAOYSA-N	307.331	1.854	50	20	DDGD	
CC[C@@](C)(NC(=O)NNC(=O)c1cc(C)[nH]n1)C(F)(F)F	933522931	VAPKZIQNFFABII-SNVBAGLBSA-N	307.276	1.393	50	20	DDGD	
O=C(Cc1ccco1)NNC(=O)c1cc(-c2ccccc2)[nH]n1	765396100	VTMJWVJUIBRYDT-UHFFFAOYSA-N	310.313	1.673	50	20	DDGD	
COCCCn1cc(C(=O)NNc2ncncc2Cl)cn1	861183012	VKSMQAWHZNVIPP-UHFFFAOYSA-N	310.745	1.120	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2conc2C)c1	864459918	QGBYOIUZRWDZQS-UHFFFAOYSA-N	303.318	1.440	50	20	DDGD	
COc1nccnc1NNC(=O)C[C@@H](C)n1nc(C)cc1C	764482307	SCPJJPWCQHMFSW-LLVKDONJSA-N	304.354	1.393	50	20	DDGD	
CC(C)Oc1ccccc1CC(=O)NNC(=O)c1cn[nH]c1	862474902	SQXPHOVLJIAYLJ-UHFFFAOYSA-N	302.334	1.201	50	20	DDGD	
COCCOCC(=O)NNC(=O)C1(c2cccc(C)c2)CCC1	869913078	UTDJRQBEQPLKID-UHFFFAOYSA-N	320.389	1.227	50	20	DDGD	
CN1C[C@H](c2ccccc2)[C@@H](C(=O)NNc2ncc(F)cn2)C1	860463168	OXBHGOGJSSALQA-KGLIPLIRSA-N	315.352	1.404	50	20	DDGD	
CCO[C@H](C(=O)NNc1cccc(S(C)(=O)=O)c1)C1CC1	860626351	ZWGIUKVXRMZPNI-ZDUSSCGKSA-N	312.391	1.348	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@]1(C2CCCC2)CCNC1=O	861294244	QNNQKZMLNQHTOM-INIZCTEOSA-N	302.378	1.530	50	20	DDGD	
C=CC(=O)NCc1ccc(C(=O)NN[C@H](C)C(F)(F)F)cc1	862308783	IGSIMUFEEKWPOL-SECBINFHSA-N	315.295	1.674	50	20	DDGD	
CC[C@@H]1C[C@H](C)CCC1=NNC(=O)N[C@H]1CCS(=O)(=O)C1	769570716	QLEAFONOQJQAFH-UTUOFQBUSA-N	315.439	1.675	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cc(C)nnc2C)cc1	767161836	PEHQUSJDSIQQHP-UHFFFAOYSA-N	314.345	1.242	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)c2cn[nH]c2)cnn1CC(C)C	860845783	KIUHNNQTIHSMPE-UHFFFAOYSA-N	305.342	1.037	50	20	DDGD	
CCCOc1ccc(C(=O)NN(C)C(N)=O)c(OCCC)c1	760484178	KALCDNCRXSWZIY-UHFFFAOYSA-N	309.366	1.920	50	20	DDGD	
COc1ccc(C(=O)NNc2nc(C)cc(C)n2)nc1Cl	767026579	HJNTUQHMOICELZ-UHFFFAOYSA-N	307.741	1.907	50	20	DDGD	
CC(=O)CC1(C(=O)NNCC(F)(F)C(F)(F)F)CCC1	863100101	PXZJLOCTHFHUIT-UHFFFAOYSA-N	302.243	1.954	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccn(-c2ccc(Cl)cc2)n1	768240499	COHJCVIYYOCORO-UHFFFAOYSA-N	322.752	1.058	50	20	DDGD	
CC(C)(C(N)=O)C(=O)NNc1ccc(Br)c(F)c1	768215371	CZIJXOOEARIYBD-UHFFFAOYSA-N	318.146	1.543	50	20	DDGD	
C[S@](=O)Cc1ccccc1NC(=O)NNc1ncc(F)cn1	775776388	GVSNJEKDXBMJRQ-QFIPXVFZSA-N	323.353	1.643	50	20	DDGD	
Cc1cnc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)c(C)c1	772258858	URTZMJUGHIXGSE-LBPRGKRZSA-N	321.377	1.437	50	20	DDGD	
C[C@@H]1COCCN1C(=O)NNC(=O)c1nc2ccccc2s1	873298410	OUQMCJJLFJIUTC-SECBINFHSA-N	320.374	1.371	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CCn2cncn2)c1	873755042	ZMTNOHUQENZQAV-UHFFFAOYSA-N	318.406	1.303	50	20	DDGD	
O=C(NN=Cc1cnsc1)c1csc(N2CCOCC2)n1	872334355	UUZXRBLLURUWBA-UHFFFAOYSA-N	323.403	1.200	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1n[nH]c2c1CCCC2)N(CC)CC	1116179294	LVEZIIMGVPQQLO-ZDUSSCGKSA-N	321.425	1.170	50	20	DDGD	
COCCN(C)NC(=O)Nc1cnn(Cc2ccccc2)c1	878784068	JPMDSYZGILVKNQ-UHFFFAOYSA-N	303.366	1.546	50	20	DDGD	
COC(=O)C(=O)NNC(=O)NCC1CC(C)(C)CC(C)(C)C1	1118550254	JSXRUYSAOQXDEJ-UHFFFAOYSA-N	313.398	1.342	50	20	DDGD	
O=C(Cc1ccoc1)NNC(=O)c1cnn(-c2ccccc2)c1	772991680	YDLXPVBQJUYRSO-UHFFFAOYSA-N	310.313	1.469	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)COc2ccccc2O)cn1	770256546	VIQIIKQEZKDHGR-UHFFFAOYSA-N	316.317	1.327	50	20	DDGD	
CC(=O)NCc1ccc(NC(=O)NNc2cnccn2)cc1	770029995	IIRXOITZWHUGQR-UHFFFAOYSA-N	300.322	1.261	50	20	DDGD	
C[C@@H](CBr)CN1CCN(CC[S@](C)=O)CC1	770667649	RFVIAJZEGQLOCJ-ZBEGNZNMSA-N	311.289	1.014	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H](C)C(F)(F)F)nc1C	778429088	HVRXIXDIAQXJRB-ZCFIWIBFSA-N	320.271	1.603	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C(C)(C)C(F)F)cn1	874955871	YQXWWTYWATURMU-UHFFFAOYSA-N	318.349	1.699	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCCNC(=O)c1ccccc1	887139439	PCJGDUGCXLOLMG-UHFFFAOYSA-N	315.373	1.148	50	20	DDGD	
NC(=O)NCCCCC(=O)NNc1ccc(Cl)cc1F	885109926	JDJSPGOIOHRANO-UHFFFAOYSA-N	302.737	1.761	50	20	DDGD	
Cc1ccnc2c(S(=O)(=O)NNC(=O)CC(C)C)cccc12	777597673	WKZLZZWGTKRXIC-UHFFFAOYSA-N	321.402	1.899	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cc(F)cc(Cl)c1O	883063960	JCJXZIJNDNVCCO-UHFFFAOYSA-N	316.716	1.372	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2[C@@H](C)C2(F)F)cc1F	1123803782	LTAPGTJEZUTTKP-LDWIPMOCSA-N	302.252	1.957	50	20	DDGD	
COc1ccc([C@@H](C)CC(=O)NNC(=O)C2CCOCC2)cc1	883064495	FHLOOINCUSZYAR-LBPRGKRZSA-N	320.389	1.763	50	20	DDGD	
Cc1cc(C)c(NC(=O)C(=O)NNc2ncc(F)cn2)c(C)c1	784950136	MLKXRPYBPGBVHB-UHFFFAOYSA-N	317.324	1.623	50	20	DDGD	
Cc1ccc(CNC(=O)NNc2ccc(Cl)nc2)c(=O)n1C	787340290	ZOINBGZTGUWQPE-UHFFFAOYSA-N	321.768	1.568	50	20	DDGD	
COc1cc(C(=O)OC[C@]2(C)C[C@@H]2Br)nn1C	1123038087	GQBSQENFLVGCIY-KWQFWETISA-N	303.156	1.759	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(N2CCNC2=O)ccc1C	786287638	GETIPZGLKFRMNF-UHFFFAOYSA-N	321.337	1.307	50	20	DDGD	
COc1cccc(NNC(=O)COc2ccc([N+](=O)[O-])cc2)n1	780772368	JAABFXHZHLPDOS-UHFFFAOYSA-N	318.289	1.521	50	20	DDGD	
CC(=O)NC[C@H]1CN(CCO[Si](C)(C)C(C)(C)C)CCO1	788019645	MFFRTMGCXSPWKP-AWEZNQCLSA-N	316.518	1.845	50	20	DDGD	
Cc1cnc2c(cnn2CC(=O)NNC(=O)C2CCCC2)c1	892481873	PUVCJWFRZQBNMN-UHFFFAOYSA-N	301.350	1.077	50	20	DDGD	
COC(=O)[C@H](NNC(=O)c1ccc(C#N)cc1)c1ccsc1	788401003	NHZFFGZOKLMVRT-CYBMUJFWSA-N	315.354	1.768	50	20	DDGD	
CSC1(C(=O)NNC(=O)CNc2ccc(C)cc2)CCC1	787866018	IKBOIORFNQXYKX-UHFFFAOYSA-N	307.419	1.840	50	20	DDGD	
COc1ccc(NNC(=O)NCCc2cnc(C)s2)nc1	781012434	URFDCXWVTDAERY-UHFFFAOYSA-N	307.379	1.724	50	20	DDGD	
C[C@@H](OC[C@H]1CCCCO1)C(=O)NNc1ccc(C#N)cn1	899663672	JJXHCBOTORQHSK-DGCLKSJQSA-N	304.350	1.371	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CCCCN1CCCC1	899995507	SJCDIUCFSWRARI-UHFFFAOYSA-N	300.472	1.546	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNc1ncncc1Cl	781806517	YWMXCBYSQDODBY-UHFFFAOYSA-N	302.725	1.623	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H](C(C)C)C2)cc1O	899944697	UCGZNJRSAOBAKR-ZFWWWQNUSA-N	320.389	1.913	50	20	DDGD	
Cc1ccc(C(F)(F)C(=O)NNC(=O)c2ccncc2)cc1	780848731	GFNUIUFOAMQJKH-UHFFFAOYSA-N	305.284	1.943	50	20	DDGD	
O=C(CC1OCCCO1)NNC(=O)c1ccc2ccccc2c1	793102096	BLYRZKJUYPTRFT-UHFFFAOYSA-N	314.341	1.754	50	20	DDGD	
CCC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cccc(C)c1	794901658	NRFBHWYWUDTFOE-CYBMUJFWSA-N	323.418	1.595	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1nccnc1N	798143579	ZODDYLABQRQPTH-UHFFFAOYSA-N	307.745	1.383	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2Cc3ccc(F)cc32)c(O)c1	794984615	RIEIREHNLKVNAP-CQSZACIVSA-N	314.316	1.941	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(-c2ccccc2)[nH]1	798305460	PXBFTUNWFVWVSN-UHFFFAOYSA-N	300.387	1.977	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)c1cc([N+](=O)[O-])n[nH]1	796070647	OKYLUEJFINHTCD-UHFFFAOYSA-N	317.305	1.102	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cnc(C)[nH]2)c2ccccc2n1	799007023	PEGWMBDBCBYJLL-UHFFFAOYSA-N	309.329	1.650	50	20	DDGD	
Cc1nnc(NNC(=O)c2cccc3c2OCC3(C)C)nc1O	790494730	LFXAWQUPLMUBES-UHFFFAOYSA-N	315.333	1.313	50	20	DDGD	
N#CCC1(CNC(=O)NNC(=O)Cc2ccc(Cl)cc2)CC1	797562576	YSRWYISUWJTMTD-UHFFFAOYSA-N	320.780	1.907	50	20	DDGD	
CC(C)C(=O)NNC(=O)NC[C@H]1CCN(Cc2ccccc2)C1	792233818	QURMQXSJSABGRI-OAHLLOKOSA-N	318.421	1.495	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCn2cnc3ccccc32)n1	794090456	SVYNLQHCDHFALX-UHFFFAOYSA-N	323.356	1.591	50	20	DDGD	
O=C(C[C@H]1CCCO1)NNC(=O)c1cncn1-c1ccccc1	1317907715	ZGLKDZYUAKWDMC-CYBMUJFWSA-N	314.345	1.202	50	20	DDGD	
C[S@@](=O)Cc1cccc(C(=O)NNc2ncc(F)cn2)c1	1320289025	XPWMSAQWNBXIDO-OAQYLSRUSA-N	308.338	1.251	50	20	DDGD	
CCc1ncc(NC(=O)C(=O)NNc2cc(Cl)ccn2)cn1	1320601279	VDQWLAKLESOMIG-UHFFFAOYSA-N	320.740	1.169	50	20	DDGD	
O=C(CCc1nc2cccnc2[nH]1)NNc1nc2ccccn2n1	1320725864	AGOXBXPFLYFRFF-UHFFFAOYSA-N	322.332	1.077	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H](O)c1ccccc1Cl	1323183328	RSHHKMBTLUKRHO-SNVBAGLBSA-N	301.799	1.277	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2nccc(Cl)c2F)n1	1320503005	BGKPPDAVOQBZRY-UHFFFAOYSA-N	317.111	1.657	50	20	DDGD	
CCc1nc(NC(=O)C(=O)NNc2ccc(C)nn2)sc1C	1322303098	DMPDALXWEUCTQR-UHFFFAOYSA-N	320.378	1.194	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2nocc2C)cc1	1254737000	OJABUEXTMACCGV-UHFFFAOYSA-N	304.306	1.523	50	20	DDGD	
C[C@@H]1CCCN1CCNC(=O)NNc1ccc(C(C)(C)C)nn1	1336874620	VGPGNGIVQWRWGV-GFCCVEGCSA-N	320.441	1.885	50	20	DDGD	
CC1=NO[C@@](C)(C(=O)NNC(=O)NCCc2cccs2)C1	1337036120	QFSHDCIMZGTLAV-CYBMUJFWSA-N	310.379	1.176	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)Nc2sccc2C#N)n1	1330355917	HDCGKFMWUDSUIV-UHFFFAOYSA-N	316.346	1.108	50	20	DDGD	
CCN1C[C@@H](C)N(C(=O)NNC(=O)c2cc(C)cs2)C[C@@H]1C	1334939288	KSOYWIRQSJCJFB-NWDGAFQWSA-N	324.450	1.825	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@H]2Cc3cc(F)ccc3O2)c1Cl	1333507738	JNADJPDVSTVKCJ-SNVBAGLBSA-N	323.715	1.298	50	20	DDGD	
COCC(=O)NCCC(=O)NNc1ccc(F)c(Cl)c1	1330144288	YFGAGSSEIIUIDN-UHFFFAOYSA-N	303.721	1.075	50	20	DDGD	
O=C(NCc1nnnn1CC1CC1)c1cccc(CCl)c1	1335861267	HONVNXASOBPZSF-UHFFFAOYSA-N	305.769	1.752	50	20	DDGD	
CC(F)(F)C1(C(=O)NNC(=O)Cc2ccc(F)cc2)CC1	1331311498	WOUNROXOFIWBJK-UHFFFAOYSA-N	300.280	1.951	50	20	DDGD	
C=CCCOCCCCC(=O)NNc1nncc(N)c1Cl	1341815765	NTELQLVTUVWCRU-UHFFFAOYSA-N	313.789	1.918	50	20	DDGD	
OB(O)c1ccc(CNc2cccc(CN3CCCC3)c2)cc1	1262005789	NNUWHJZMIUCEHW-UHFFFAOYSA-N	310.206	1.574	50	20	DDGD	
C[C@@]1(CNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)C[C@@H]1Br	1341970680	CETWZQMKNKWYPS-PPRSSJNSSA-N	303.200	1.779	50	20	DDGD	
C[C@@]1(COC(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H]1Br	1345266664	QNGZXDLINBNANY-XCBNKYQSSA-N	318.127	1.508	50	20	DDGD	
COCC(=O)NCCC(=O)OC[C@@H](CBr)C1CC1	1351459194	RAXPBFGFJIQJIB-SNVBAGLBSA-N	322.199	1.103	50	20	DDGD	
Cc1c(NNC(=O)NC[C@H]2C[C@@H](N(C)C)C2)cccc1C(=O)O	1607552029	FHRYQEWSNUVXFC-TXEJJXNPSA-N	320.393	1.660	50	20	DDGD	
CC(C)(CNC(=O)N1C[C@H]2[C@H](Br)[C@H]2C1)C(=O)O	1603631049	VMRVSDYQYLFGBY-JIGDXULJSA-N	305.172	1.132	50	20	DDGD	
Cc1nc2c(C(=O)NNc3cccc(C(=O)O)c3)ccnc2[nH]1	1600720452	GTQYIMJPQONSFS-UHFFFAOYSA-N	311.301	1.721	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)Nc1ccc(C(=O)O)nn1	1600431213	NNOSJVJKDZOYFM-UHFFFAOYSA-N	305.269	1.771	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1cccc(C(=O)O)c1)[C@@H]1CCCO1	1602673716	JMBXTJKYFWCONH-OLZOCXBDSA-N	303.318	1.192	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@H]1Cc2cccnc2C1	1602231317	XOYBXDKCIUOYLW-JTQLQIEISA-N	315.304	1.777	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@]23CCC[C@H]2OCC3)c1F	1602448560	RYSGRZDOWGWHTM-ABAIWWIYSA-N	308.309	1.926	50	20	DDGD	
Cc1cc(C=NNC(=O)CCN2CCCCCC2)[nH]c1C(=O)O	1600185346	NAUSPDVXKVXSOJ-UHFFFAOYSA-N	320.393	1.738	50	20	DDGD	
Cc1c(NNC(=O)/C=C\CN2CCOCC2)cccc1C(=O)O	1607553583	WGZLHCLHGADLAQ-UTCJRWHESA-N	319.361	1.025	50	20	DDGD	
Cc1ncc(C(=O)NNc2ccc(C(=O)O)c(Cl)c2)c(N)n1	1607975659	IORUZIGDEPMFAL-UHFFFAOYSA-N	321.724	1.476	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc(C(=O)O)n1C	1607871433	AEAILQKHIYABDR-UHFFFAOYSA-N	301.302	1.107	50	20	DDGD	
Cn1cc(C=NNC(=O)Cc2ccccc2F)cc1C(=O)O	1610601630	QUQMHVHWKBUCIJ-UHFFFAOYSA-N	303.293	1.555	50	20	DDGD	
O=C(NN=C1CCc2cc(F)ccc21)[C@@H]1CN2CCC[C@H]2CO1	1549315945	DEUNHDDIMIPBOP-BBRMVZONSA-N	317.364	1.455	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNC(=O)c2cccc3ncccc23)[nH]1	1610822278	AOQDMYYUQBWUGZ-UHFFFAOYSA-N	324.296	1.336	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1ccnnc1C	1610288059	VSZLBJBAHGNHCZ-UHFFFAOYSA-N	302.290	1.249	50	20	DDGD	
Cc1nc2ccc(C(=O)NNc3ccc(C(=O)O)cn3)cc2o1	1610561455	RIZGKKRXMGORNJ-UHFFFAOYSA-N	312.285	1.986	50	20	DDGD	
CC1(C)CC2(CO1)CC(=NNC(=O)[C@@H]1CN3CCC[C@H]3CO1)C2	1550695281	CJEIIZMWBHOBPK-CBVZESEGSA-N	321.421	1.301	50	20	DDGD	
CCN(CC)C(=O)CCCC(=O)NNc1ncccc1C(=O)O	1573877719	GPRJRDWTHKUHLN-UHFFFAOYSA-N	322.365	1.262	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@H]2CCCNC2)c(C)c1	1579735260	JFVVHVKDBYMGAU-ZDUSSCGKSA-N	321.446	1.543	50	20	DDGD	
CO[C@H]1CN[C@@](C)(C(=O)NNc2ccc(C(F)(F)F)cn2)C1	1573961428	SJCQYASGTYSZED-BXKDBHETSA-N	318.299	1.311	50	20	DDGD	
C=C(CBr)CN[C@@H](Cc1cncs1)C(=O)O	1588605333	HNPLYRWAMAPFFZ-VIFPVBQESA-N	305.197	1.680	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)O)CCC1)c1cc2ccccc2o1	1594779211	MEYJFOXWUYHIFR-UHFFFAOYSA-N	302.286	1.449	50	20	DDGD	
O=C(NCC1CC(F)(F)C1)NNc1cccc(-c2nn[nH]n2)c1	1593022335	BROUTRJERSTCLY-UHFFFAOYSA-N	323.307	1.538	50	20	DDGD	
CC[C@H](NNC(=O)C(=O)O)c1ccc(Br)cc1	1595305847	NWMMRWPKTKCQTG-VIFPVBQESA-N	301.140	1.606	50	20	DDGD	
CCOC1CC2(C1)C[C@@H]2C(=O)NNc1ccc(C(=O)O)cn1	1596848871	DNHYCWGLHPDNEL-LOIXOFCESA-N	305.334	1.428	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2cccc(C(=O)O)c2)n1	1594666792	XJTMKFDOXRDOQZ-UHFFFAOYSA-N	307.697	1.167	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)[C@H]1C	1590334798	LZSHURSOMUTLFR-QISWUMQESA-N	316.365	1.369	50	20	DDGD	
C[C@@H](OCC(=O)NNc1cccc(C(=O)O)c1)c1nccn1C	1593603469	BACZUKZJUXZBQS-SNVBAGLBSA-N	318.333	1.339	50	20	DDGD	
COc1cc(/C=C(/C#N)C(=O)N=c2cc[nH]cc2)ccc1C(=O)O	1777287741	OITKIJWAHBMGGZ-WQLSENKSSA-N	323.308	1.756	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccccc2Cl)n1	15462278	SUQFLJHHWHIHDZ-UHFFFAOYSA-N	306.753	1.615	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccc(F)cc1)[C@@H]1CCSC1	160684114	CBWQJZRYZVDIIH-GFCCVEGCSA-N	311.382	1.024	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccccc2OC(F)F)[nH]n1	151212595	WOJJNAQXNJPUSO-UHFFFAOYSA-N	310.260	1.394	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)n2cnc3ccccc32)[nH]n1	151162072	MBPOBUODOSURNF-JTQLQIEISA-N	312.333	1.090	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccccc1SC(F)F	155592136	PSDAGBPGSQTJSY-UHFFFAOYSA-N	318.349	1.716	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)n1	155176777	MROFLTNWHSDQNS-UTUOFQBUSA-N	305.382	1.533	50	20	DDGD	
CCc1n[nH]c(=O)c(C(=O)NNc2cccc(F)c2)c1CC	154728703	SHVWURIJHNHUFH-UHFFFAOYSA-N	304.325	1.791	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)COc2ccc(C)cc2)co1	159193835	HYSYYBKWXCXVCE-UHFFFAOYSA-N	303.318	1.385	50	20	DDGD	
CN1CC[C@H](CNS(=O)(=O)c2ccc(CCCl)cc2)C1	37647864	MXOKJSNFZDCNJR-CYBMUJFWSA-N	316.854	1.698	50	20	DDGD	
CCOC(=O)CCN(C)S(=O)(=O)c1ccc(CCl)cc1	380033073	WPGWCKCRPBUJCS-UHFFFAOYSA-N	319.810	1.999	50	20	DDGD	
C[C@H]1CN(CCN(C)NC(=O)OCc2ccccc2)CCO1	859386566	UPPKUHWNNVYXOH-AWEZNQCLSA-N	307.394	1.480	50	20	DDGD	
CC(=O)NNC(=O)CSc1ncnc2sc(C)c(C)c12	6113020	WRJOHSUALWCTGX-UHFFFAOYSA-N	310.404	1.568	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NNC(=O)c1ccc(C#N)cc1	101663595	BMSGJFWUUPCDMA-XQQFMLRXSA-N	314.389	1.581	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Nc1ccncc1	56498968	VRWCMRPOGUHACP-SNVBAGLBSA-N	318.308	1.841	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)Cc2cccnc2)cc1F	103426058	NSOVMYWCXVJAKZ-UHFFFAOYSA-N	323.349	1.081	50	20	DDGD	
CCCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)NC	103074055	UZBYVMHQZJHTIE-UHFFFAOYSA-N	317.349	1.235	50	20	DDGD	
CC[C@@H](NNC(=O)CNC(=O)c1ccco1)c1ccccc1	112540583	VUGHALLGZJLCDW-CYBMUJFWSA-N	301.346	1.782	50	20	DDGD	
O=C(NNc1ccccc1Br)[C@@H]1COCCO1	178907653	STEWUFUGSLFXQH-JTQLQIEISA-N	301.140	1.308	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NO[C@H]1CCCCO1	118783121	RQPLFTPVDAPHCD-NSHDSACASA-N	301.774	1.927	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CN(C)C)c(C)n1-c1ccccc1	171349455	YWVHIJGDYYNIQA-UHFFFAOYSA-N	314.389	1.417	50	20	DDGD	
CSC[C@H]1CCCN1C(=O)NNC(=O)Cc1cccnc1	119558721	UGICPEXUOHALQQ-GFCCVEGCSA-N	308.407	1.192	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)NCCCCC#N)c1	171450188	MVUZGFMTTAFNCC-UHFFFAOYSA-N	318.377	1.707	50	20	DDGD	
C#CCCCNC(=O)NNC(=O)c1cccc(Br)c1	174126965	FMFNURYPRIAUJT-UHFFFAOYSA-N	324.178	1.807	50	20	DDGD	
O=Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2F)[nH]1	177702259	LTVZRGGULJWAPM-UHFFFAOYSA-N	309.684	1.695	50	20	DDGD	
C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NNC(=O)c1cccn1C	68177767	WYTGVZOFXVVHKT-SECBINFHSA-N	323.299	1.532	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC2CCCC2)c1[N+](=O)[O-]	65920058	OTQFRAYRCACNON-UHFFFAOYSA-N	306.322	1.790	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCO[C@H](C#N)C2)cc1	171733407	CQNXONNMURNKLW-SCZPIIQISA-N	311.341	1.743	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCCCc2ccsc2)cn1	1341743138	KETDAZWUSXVGCA-UHFFFAOYSA-N	307.379	1.058	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NNc2ccnc(F)c2)C1	182468865	GHRMQUOKGIKKPE-LLVKDONJSA-N	322.384	1.949	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNc1nnc(-c2ccccn2)s1	188219780	YJJBRMIFBODJHU-SECBINFHSA-N	307.379	1.858	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)c2cc3ccccc3o2)CCCO1	121912684	FILMAPWGGCFYGF-MRXNPFEDSA-N	317.345	1.946	50	20	DDGD	
CCOC(=O)NNC(=O)c1nn(-c2c(F)cccc2F)cc1C	188461559	ZHTHKRRVWCKZAG-UHFFFAOYSA-N	324.287	1.850	50	20	DDGD	
CC1CCC(N2C[C@@H](C(=O)NNc3ccccn3)CC2=O)CC1	181214129	YMUUJXKFSVNCKN-MOKVOYLWSA-N	316.405	1.952	50	20	DDGD	
Cc1cccc(NC(=O)NNC(=O)COCc2ccccc2)n1	125024015	QIWKXEPTUMCYQU-UHFFFAOYSA-N	314.345	1.760	50	20	DDGD	
O=C(CO)NNC(=O)c1cccc(COc2cccc(F)c2)c1	182746785	AIZWNYFUCFASHC-UHFFFAOYSA-N	318.304	1.158	50	20	DDGD	
O=C(CCc1cccs1)NNC(=O)CNc1ccccc1	78269321	QUKNWEKQTXQEBG-UHFFFAOYSA-N	303.387	1.940	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)C1[C@H]2CCC[C@H]12	129051413	JQCLOSCSHDOCRE-UWVGGRQHSA-N	306.387	1.678	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1COc2cc(C)c(C)cc21	184491492	LLRUHCZAVZFZHB-GFCCVEGCSA-N	314.345	1.721	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(-c3ncn[nH]3)cc2)nc(C)n1	184475830	KIEVSYKMBAGZIF-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2c(C)cccc2F)n(C)n1	187450477	IHEZEGVOYPUQIP-UHFFFAOYSA-N	319.340	1.512	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@@H](C)CS(C)(=O)=O	185391608	KMWCFHPJBDFQLW-VIFPVBQESA-N	303.359	1.193	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(O)nc(CC(C)C)c2)o1	180558724	NIARPOYSERGOSN-UHFFFAOYSA-N	317.345	1.962	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2c(C)noc2C2CC2)[nH]n1	130350695	LRMITNFABCQFSM-UHFFFAOYSA-N	304.310	1.358	50	20	DDGD	
CCC[C@@H](C(=O)NNC(=O)CNC(=O)c1cccnc1)C(C)C	134891572	SPLWVQYTAZFCSV-CYBMUJFWSA-N	320.393	1.031	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2cncc(Cl)n2)CN1C1CC1	130341118	XXVADOHRVPEVPM-BDAKNGLRSA-N	310.789	1.381	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2ccc(C#N)cc2)n1	45029351	CBPZBJUVNIVOJP-UHFFFAOYSA-N	312.333	1.225	50	20	DDGD	
O=C(NCCCCCCO)NNC(=O)c1c[nH]c2ccccc12	192725438	JNIIPJALEQJYAU-UHFFFAOYSA-N	318.377	1.665	50	20	DDGD	
C[C@@H](CBr)CN1CCC(N2CCCNC2=O)CC1	134038946	GJDBNVUNLCGKPM-NSHDSACASA-N	318.259	1.897	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1occc1Br	81155352	HQHFEOAOBILZMW-UHFFFAOYSA-N	324.134	1.441	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNC(=O)NC1CCCCC1	42084292	QQZIFSKGANOEGG-UHFFFAOYSA-N	316.361	1.600	50	20	DDGD	
CC(C)CCO[C@@H](C)C(=O)NNc1nc2ccccc2c(=O)[nH]1	137130593	ULGXGPAFDOXJNS-NSHDSACASA-N	318.377	1.817	50	20	DDGD	
CCc1c(C(=O)NNc2nccnc2OC)cnn1CC(C)C	131769458	JNFBZNJNUXFOQL-UHFFFAOYSA-N	318.381	1.657	50	20	DDGD	
CCc1ccccc1OCC(=O)NNc1nccnc1OC	132010954	DIBGDWUEEUXATG-UHFFFAOYSA-N	302.334	1.570	50	20	DDGD	
CCN1CCO[C@H](C(=O)NNc2ccc(Cl)c(F)c2)C1	130715633	WLSJMHMUHGMGKE-LBPRGKRZSA-N	301.749	1.643	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)[C@@H]1C[C@@]12CCCc1ccccc12	190076229	KTQHXJXMCXVYLM-SUMWQHHRSA-N	302.374	1.199	50	20	DDGD	
Cn1nnc2cc(C(=O)NNc3cccnc3Cl)ccc21	85683141	NCDHPRNZNRZMFB-UHFFFAOYSA-N	302.725	1.774	50	20	DDGD	
CCC[C@@H]1C[C@H](C(=O)NNc2nc3ccccn3n2)CCO1	191912571	LODKQSFUNSTRKF-VXGBXAGGSA-N	303.366	1.768	50	20	DDGD	
N#CCOc1ccccc1C(=O)NNC(=O)CCc1ccccc1	194770675	UOBZRXMTZUAGOK-UHFFFAOYSA-N	323.352	1.983	50	20	DDGD	
O=C(NC[C@@H]1CCCOC1)NNC(=O)c1cccc(Cl)c1	193975530	ZJIRQCBVENPCBP-JTQLQIEISA-N	311.769	1.711	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CCOCC(F)F	191884694	SLQUGUXPEHNFTA-UHFFFAOYSA-N	316.304	1.057	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc(Cl)c(F)c1	94121368	RVJSRWJFFLHOOW-UHFFFAOYSA-N	321.830	1.951	50	20	DDGD	
CC(C)(C)NCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	144155807	QNKHEFQHXMWZLO-UHFFFAOYSA-N	307.438	1.738	50	20	DDGD	
O=C(COC1CCCC1)NNc1nc(-c2cccnc2)no1	263947013	JHUDUTJUIBTPBE-UHFFFAOYSA-N	303.322	1.534	50	20	DDGD	
Cc1nc(CCNC(=O)c2c(C)nn(CCCl)c2C)n[nH]1	268207882	HEUSAZKFMXUMCV-UHFFFAOYSA-N	310.789	1.138	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NNC(=O)C1CCC1)c1ccccc1	264855538	OAGDUMQDRZVUQS-UHFFFAOYSA-N	318.377	1.126	50	20	DDGD	
COc1ccc(O)c(C(=O)NNC(=O)NC2CCCCC2)c1	271225217	QOSQHBIMMCKLSJ-UHFFFAOYSA-N	307.350	1.678	50	20	DDGD	
C[C@@H](C(=O)O)N(C)S(=O)(=O)c1ccc(CCCCl)cc1	270476954	KCEGJFOJPWXPDJ-JTQLQIEISA-N	319.810	1.952	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCc2cnn(C)c2)c1	272823368	NFKYMCJBZLMRNO-UHFFFAOYSA-N	302.334	1.283	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCc1nnc(-c2ccccc2)o1	272701807	URSGNEDAFHJAGT-UHFFFAOYSA-N	317.349	1.362	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(Cl)cc1F	276289130	UNGWIKXGPZGYET-UHFFFAOYSA-N	316.720	1.110	50	20	DDGD	
CC(=O)N1CCC[C@@H]1C(=O)NNc1cccc(F)c1[N+](=O)[O-]	279612331	HEHKWPPRSMZPHW-LLVKDONJSA-N	310.285	1.188	50	20	DDGD	
CCC[C@](C)(CC)C(=O)NNC(=O)C(=O)Nc1ccccn1	279785375	FRUNHQQYKRNYIK-HNNXBMFYSA-N	306.366	1.384	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2[C@H]3CCC[C@H]32)cc1C	281345548	VCIKEMVXWONHBT-WDNDVIMCSA-N	315.373	1.435	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2[C@H]3CCC[C@H]23)cc1	283017546	YOKYAJGPVGUORM-RYUDHWBXSA-N	301.346	1.127	50	20	DDGD	
CCOCC1(C(=O)NNc2nc(-c3cccnc3)no2)CC1	282550052	YSHXNXMOBSUISS-UHFFFAOYSA-N	303.322	1.391	50	20	DDGD	
O=C(NNc1ncccn1)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	372272139	DKBZGQLEFUQPAI-BGZDPUMWSA-N	302.256	1.276	50	20	DDGD	
COC(=O)N(C)NC(=O)c1sc(-c2ncccn2)nc1C	286307049	KGJHBLOFNBEQFN-UHFFFAOYSA-N	307.335	1.252	50	20	DDGD	
O=C(CCn1cnc2sccc2c1=O)NCC(Cl)Cl	288297943	SIZVLRZNPUBQJL-UHFFFAOYSA-N	320.201	1.768	50	20	DDGD	
CSSCCNC(=O)Nc1cc(C(=O)N(C)C)ccn1	285525629	QWMAVRIHJUUQTM-UHFFFAOYSA-N	314.436	1.916	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NCC(F)(F)F)cnn1C(C)(C)C	280893515	DEOXXDCKNIPFRQ-UHFFFAOYSA-N	321.303	1.453	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(F)(F)C2(O)CCCC2)o1	285383283	UPWGGSOQKDTFKQ-UHFFFAOYSA-N	302.277	1.289	50	20	DDGD	
CO[C@H]1CCC[C@H](CC(=O)NNC(=O)CNc2ccccc2)C1	280000748	MQYUQBXFYGJGCO-ZFWWWQNUSA-N	319.405	1.841	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1ccc2nncn2c1	286965303	LMTASZWEKJQYLO-UHFFFAOYSA-N	309.333	1.544	50	20	DDGD	
Cc1nc2c(cnn2C(C)C)cc1C(=O)NNC(=O)CC1CC1	294264063	UODLPYAQYKJERK-UHFFFAOYSA-N	315.377	1.882	50	20	DDGD	
Cn1ncc2c1CCC[C@@H]2NC(=O)NNc1ncncc1F	292582256	ALTUTVOSJBWNLV-JTQLQIEISA-N	305.317	1.053	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cnc2[nH]c(O)nc2c1	809576153	JFOWKGDILAEIBE-UHFFFAOYSA-N	314.261	1.329	50	20	DDGD	
CN(C)c1cccc(CCC(=O)NNC(=O)[C@@H]2CCCO2)c1	294645958	MNOONCNATMCZLU-AWEZNQCLSA-N	305.378	1.012	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(F)cc2[nH]cnc12	295567619	ARBJENMNXPMLQP-LLVKDONJSA-N	306.297	1.032	50	20	DDGD	
CC(=O)c1ccc(OCCCC(=O)NNc2ccncn2)cc1	295551816	UBHSMCLQOAZZLU-UHFFFAOYSA-N	314.345	1.982	50	20	DDGD	
CCCN[C@@H](C)C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	294768677	MNINHLIYAJIHSG-NSHDSACASA-N	315.377	1.226	50	20	DDGD	
Cc1ccc2sc(C(=O)NNC(=O)N3CCOCC3)cc2c1	290628207	XPPRMSFCLQYXBH-UHFFFAOYSA-N	319.386	1.896	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)C1CC1	804154321	GYHYSVVLOIIJTJ-CFADKHTPSA-N	306.406	1.511	50	20	DDGD	
Cc1sc(Br)nc1C(=O)NNC(=O)NC(C)C	294750594	PBJNADROBYMJOD-UHFFFAOYSA-N	321.200	1.566	50	20	DDGD	
NC(=O)N[C@@H](CC(=O)NNc1ncccc1F)c1cccs1	804215371	NEXVGGOFYOXJNV-VIFPVBQESA-N	323.353	1.525	50	20	DDGD	
COc1cc(NC(=O)NNc2cc(Cl)nc(N)n2)ccn1	806663216	UUTQZAZCDHKPMJ-UHFFFAOYSA-N	309.717	1.264	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCc1cncn1C	811925539	SDSMLLBPIJWMKS-UHFFFAOYSA-N	302.338	1.264	50	20	DDGD	
Cc1ncc2n1CC[C@@H](C(=O)NNc1cccnc1Cl)C2	810493457	CDDGTKPTCJERBS-SNVBAGLBSA-N	305.769	1.946	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)[C@@H](C)CN2CCCCCC2)C1	819803299	LYRUSRFMFQCTIX-LSLKUGRBSA-N	323.437	1.944	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1(F)F	817422039	QPVOJSIKGVIKJC-GWCFXTLKSA-N	312.272	1.019	50	20	DDGD	
O=C(NN=Cc1cc(Cl)c2c(c1)OCCO2)c1cnccn1	818285734	HQXACCHCLOJIAY-UHFFFAOYSA-N	318.720	1.665	50	20	DDGD	
O=C(C[C@@H]1OC(=O)c2ccccc21)NNc1ncncc1F	817071360	RPNHVPNQGJFSHC-NSHDSACASA-N	302.265	1.361	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@](C)(O)c2ccc(Cl)cc2)n[nH]1	815886859	LCRDNRUQLBCVSW-AWEZNQCLSA-N	322.752	1.040	50	20	DDGD	
NC(=O)CC1(CNC(=O)NNc2c(F)cccc2Cl)CC1	817787581	RJKQANABHGMUHN-UHFFFAOYSA-N	314.748	1.761	50	20	DDGD	
Cc1cc(C(=O)NNc2nc[nH]n2)c(C)cc1Br	816632549	OAIZQRRZRBTVKW-UHFFFAOYSA-N	310.155	1.941	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H]1CCC(=O)N1C	816486981	ZHHDPZNOXDZVMP-QMMMGPOBSA-N	311.773	1.317	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1c(C)c2ccccc2n1C	814865285	PQGQCFFFQAJAHI-ZDUSSCGKSA-N	317.389	1.988	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)[C@H]3CC4CCC3CC4)nc21	815606927	KQCPCVUTWVULRX-RTBKNWGFSA-N	316.365	1.338	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)[C@@H]1CCCSC1	810584662	TYSYBZLVPORLNJ-SNVBAGLBSA-N	313.448	1.764	50	20	DDGD	
CN(NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccccc1	729501347	KGIZVUPENSOOOY-CABCVRRESA-N	304.394	1.200	50	20	DDGD	
CCn1nncc1C(=O)NNc1ccc(C#N)cc1C(F)(F)F	816570319	QCBVGPBBIAVPTG-UHFFFAOYSA-N	324.266	1.945	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccnc(-c3ncc[nH]3)c2)n1	814266839	DDCZKJBUVKWCOP-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
COC(=O)CCCCCCNC(=O)/C(C#N)=C\c1cnn(C)c1	822393782	CGMCJGOIXWXNOW-ZROIWOOFSA-N	318.377	1.567	50	20	DDGD	
CC(C)c1nccn1CC(=O)NNCC(F)(F)C(F)(F)F	825004520	PIQLTOYDAMEYDU-UHFFFAOYSA-N	314.258	1.825	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCC1	496442584	VVSRWMDHAHDCNX-JTQLQIEISA-N	315.370	1.457	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@]1(C)CCCOC1	822728537	VCYQKYFWOTVBSF-HNNXBMFYSA-N	310.325	1.872	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCSC(C)(C)CC1	827273923	KHKQWHMCKGNJEM-WDEREUQCSA-N	315.439	1.370	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)CC(F)(F)F)c(C)c1	823369260	VSCOJUPUPCQXKV-UHFFFAOYSA-N	304.268	1.646	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCCOc1ccc(Cl)cc1	823970336	FHOOWYZFFSAMCZ-NSHDSACASA-N	300.786	1.843	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(OCCC(C)C)nn1	825520178	VLWUIVUYICWBQN-UHFFFAOYSA-N	311.342	1.684	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1[C@H]2CCC[C@H]12	826445497	WSNGWOBLWIIQNE-YUMQZZPRSA-N	319.756	1.404	50	20	DDGD	
COc1ccccc1CC(=O)NNc1ccc(-c2nn[nH]n2)cc1	826219505	FICWZVQRBAHWEN-UHFFFAOYSA-N	324.344	1.561	50	20	DDGD	
CC(C)C(=O)NNC(=O)CCCc1ccc2c(c1)CC(=O)N2	729299516	JEZLLWOFZCNJLQ-UHFFFAOYSA-N	303.362	1.307	50	20	DDGD	
C[C@H]1OC(=O)N[C@@H]1C(=O)NNc1cc(Cl)cc(Cl)c1	496048165	WUSDIAHFKDCKEG-ANLVUFKYSA-N	304.133	1.933	50	20	DDGD	
CCCNC(=O)/C(C#N)=C/c1ccc(O[C@H](C)C(=O)O)cc1	490942901	PPVBIPAJHAJXBY-VSXLWIIGSA-N	302.330	1.972	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@@H]1CC12CCC2	826445426	UEIHNRMGXKGXJF-QMMMGPOBSA-N	319.756	1.548	50	20	DDGD	
COCCSCc1cccc(NCc2ccc(B(O)O)o2)c1	585016100	HBJQGNVRSDVLBS-UHFFFAOYSA-N	321.207	1.451	50	20	DDGD	
Cc1ccc(NC(=O)NN(C)C2CC2)cc1N1CCNC1=O	824314643	QGLVGAPSVAJEFW-UHFFFAOYSA-N	303.366	1.655	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@H](C)C(C)(C)c1ccccc1	828675730	WZWWMNPTDUBLJA-CYBMUJFWSA-N	305.422	1.746	50	20	DDGD	
CCCNC(=O)NNC(=O)C[C@H]1CSc2ccccc2O1	825437601	INLKUKRUFOPXSZ-JTQLQIEISA-N	309.391	1.670	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCCc3sc(Cl)cc32)o1	585043623	RGRMOVRYPMZSKB-JTQLQIEISA-N	311.599	1.842	50	20	DDGD	
CCN(CCO)NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1	823874342	RMVSCJKXXZXYCJ-LBPRGKRZSA-N	321.204	1.762	50	20	DDGD	
C[C@@]1(C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCCOC1	824783987	LXMGNIZGQRWZIK-CQSZACIVSA-N	302.338	1.127	50	20	DDGD	
C[C@H]1CC(=NNC(=O)CCNC(=O)OC(C)(C)C)c2nccn21	496305092	IHGZSVWZXPAXRH-JTQLQIEISA-N	321.381	1.583	50	20	DDGD	
Cc1cccc(CN(C)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1C	827269207	WBOZRDQNKOEDBX-DZGCQCFKSA-N	319.405	1.901	50	20	DDGD	
C=C(CI)n1cc([C@@H](O)C2CC2)nn1	900640904	GWRROEBIUQMICQ-VIFPVBQESA-N	305.119	1.627	50	20	DDGD	
CC(C[C@H](C)NC(=O)OC(C)(C)C)=NNC(=O)Cc1cc[nH]n1	495649229	BQIVRCSDHYDSNG-JTQLQIEISA-N	323.397	1.748	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1F	825638920	IRAHCZBIXHVMNI-PWSUYJOCSA-N	309.341	1.390	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)/C=C/c1ccccc1	492396954	JILBJKJTHCKUJI-MDZDMXLPSA-N	319.361	1.372	50	20	DDGD	
CN1CCN(C(=O)/C(C#N)=C\c2cnn(C)c2)Cc2ccccc21	491128751	FDGYPELDPLTPNI-SXGWCWSVSA-N	321.384	1.806	50	20	DDGD	
C[C@]1(C(=O)Nc2n[nH]c3nc(O)ccc23)C[C@@H]1Br	908317208	WUDGPSNBSKQTLT-KGFZYKRKSA-N	311.139	1.776	50	20	DDGD	
COc1cccc(COCC(=O)NNc2cc(C)ncn2)c1	734255281	RBVSBUYOQSSYOE-UHFFFAOYSA-N	302.334	1.454	50	20	DDGD	
COc1ccc(CC(=O)NNc2cc(C)ncn2)cc1OC	734254529	YYTLFCCPACMMPN-UHFFFAOYSA-N	302.334	1.488	50	20	DDGD	
CC(C)[C@]1(C)C[C@@H]1NC(=O)NNC(=O)COc1ccccc1F	838767533	RPKRHPMGBGLSNO-BBRMVZONSA-N	323.368	1.970	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@H]1CCN(Cc2ccccc2)C1	732442188	LDUGDPQHNAARTB-HNNXBMFYSA-N	316.405	1.391	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1C[C@H](C)n2ccnc21	836191135	AFOWTSJPKJYOTA-WCQYABFASA-N	313.361	1.842	50	20	DDGD	
COc1ccc(C(=O)NN=C2CCN(C(=O)O)CC2)c(OC)c1	737925940	BNATWEITFZAUCO-UHFFFAOYSA-N	321.333	1.563	50	20	DDGD	
C[C@]1(C(=O)NNc2cccc(Br)n2)CCOC1	837211732	JJITZYXUQLUYAA-NSHDSACASA-N	300.156	1.714	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CCCn1cccn1)c1ccccc1	731176196	KNHNVHRWCZYOTE-UHFFFAOYSA-N	314.389	1.789	50	20	DDGD	
C[C@@H](CBr)CN1CCC[C@@]2(CCS(=O)(=O)C2)C1	831914991	DHGJGRKQSXQDPW-NWDGAFQWSA-N	324.284	1.918	50	20	DDGD	
CC(C)[C@H](C)N(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	839460577	OMGQIUBWYMSCKS-NSHDSACASA-N	322.365	1.332	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@H](C)c1nc(C)cs1	831575705	ULWXJCYJQUGYAR-QMMMGPOBSA-N	318.493	1.413	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2CCOc3c(Cl)cccc32)c1	585018057	GICMMDOZLRFUIJ-OAHLLOKOSA-N	317.581	1.633	50	20	DDGD	
Cc1noc(C2CC2)c1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	831667246	OVMQVEGTNUOMRE-PSASIEDQSA-N	308.338	1.438	50	20	DDGD	
COc1cccc([C@@H](C)C(=O)NNC(=O)[C@@H]2CCCCO2)c1	833251256	UIPMXTIKOZDMBR-RISCZKNCSA-N	306.362	1.515	50	20	DDGD	
O=C(NC[C@H]1CCCCC(F)(F)C1)c1ccc(B(O)O)cc1	584991322	BFQPCUCOYAPTIY-NSHDSACASA-N	311.137	1.312	50	20	DDGD	
Cc1ccccc1[C@H](CC(=O)NNc1cnccn1)NC(N)=O	734245192	LMYHZWBLGUYHNZ-LBPRGKRZSA-N	314.349	1.028	50	20	DDGD	
CCCN(CC(=O)NNC(=O)C1CC1)Cc1ccc(C)cc1	734149598	OJPIZUYZTZNJKG-UHFFFAOYSA-N	303.406	1.764	50	20	DDGD	
O=S(=O)(CCl)N1CCC[C@](CO)(Cc2ccccc2)C1	831601613	HPKCMZGGKPDFJP-AWEZNQCLSA-N	317.838	1.830	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)C[C@@H]1CCC(=O)N1C	831755238	BJSULNGJEZPERM-ZDUSSCGKSA-N	312.373	1.997	50	20	DDGD	
Cc1ccc(Cl)c2c1NC(=O)C2=NNC(=O)c1c[nH]nc1C	735410730	TWNMPNNTWPINBI-UHFFFAOYSA-N	317.736	1.766	50	20	DDGD	
CC(C)Cc1c[nH]c(C(=O)NNc2cc(Cl)nc(N)n2)c1	839719878	CGKGZTZOBREREC-UHFFFAOYSA-N	308.773	1.996	50	20	DDGD	
COc1ccc([C@H](NCc2cccc(B(O)O)c2)C2CC2)cn1	585049909	ZPHDQLILLGJING-QGZVFWFLSA-N	312.178	1.011	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCCn2ccnc2)c(F)c1	837210128	YVHMAAKEDOIGBS-UHFFFAOYSA-N	320.324	1.732	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)COc1ccccc1F	834922615	UQDDGOWWVDVQLD-UHFFFAOYSA-N	305.313	1.275	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H](C)Oc1ccc2ccccc2c1	910150481	RYAMCTLGHFUUOU-STQMWFEESA-N	302.374	1.951	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@H](C)CC(=O)O	832004977	XZMJQLVXZMCJEX-SSDOTTSWSA-N	314.725	1.220	50	20	DDGD	
C[C@H](CN1CCCC1=O)NC(=O)NNc1cc(F)ccc1F	914276807	BMBGILCWCQBFAR-SECBINFHSA-N	312.320	1.602	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNC(=O)c1ccccc1OC	839675411	XRSUYDOYFNDODS-SNVBAGLBSA-N	308.334	1.046	50	20	DDGD	
O=C(NNC(=O)c1ncon1)C1=C(c2ccccc2)CCCC1	832826000	OLLKSPDKQNUBAB-UHFFFAOYSA-N	312.329	1.858	50	20	DDGD	
Cc1ncsc1CCOC(=O)/C(C#N)=C/c1cnn(C)c1	837970929	JIGNXCTVCIXGRG-LFYBBSHMSA-N	302.359	1.878	50	20	DDGD	
CCc1nnsc1C(=O)NN=c1sc2ccccc2n1C	743812104	RJPUAUXBCPFGBX-UHFFFAOYSA-N	319.415	1.899	50	20	DDGD	
CC(=NNC(=O)NC(C)C)c1ccc(S(C)(=O)=O)c(F)c1	741762848	VBVOEUFEKZIZEA-UHFFFAOYSA-N	315.370	1.661	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCCN1C[C@@H](C)C[C@H](C)C1	916460889	SGPXJHLLQWHDAA-KBPBESRZSA-N	312.458	1.731	50	20	DDGD	
COc1ccc(NNC(=O)COc2ccc(C(N)=O)cc2)cc1	746882258	AGOYRQSPGVBBDL-UHFFFAOYSA-N	315.329	1.316	50	20	DDGD	
CC(C)Oc1ccccc1CC(=O)NNC(=O)NCC1CC1	748717255	DDIULQPPUVDERC-UHFFFAOYSA-N	305.378	1.757	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Cc1ccc(F)cc1[N+](=O)[O-]	846634071	LFCLEKQPFVGKLY-UHFFFAOYSA-N	311.313	1.860	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C1=C(C)CCC1	747373687	PXBLNTWVDXYWEC-UHFFFAOYSA-N	304.346	1.722	50	20	DDGD	
NC(=O)CSc1ccccc1NC(=O)NNc1ccccn1	915931707	PQHCTCIBUAGADN-UHFFFAOYSA-N	317.374	1.808	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](NS(=O)(=O)c2ccc(CCl)cc2)C1	916330584	JKXRXXPVJGSXDT-PHIMTYICSA-N	317.794	1.655	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1F	843653985	GLIGDTXFZDZEDJ-JQWIXIFHSA-N	324.352	1.339	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1scnc1C(C)(C)C	746850166	WNRXRSUMFQVKCL-UHFFFAOYSA-N	307.379	1.547	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1ccccc1Cl	842585493	AUKMKOHKPJAMBV-BDAKNGLRSA-N	318.782	1.075	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)CC(F)(F)F)c1	912896415	YKIFYYUWGUMTLC-UHFFFAOYSA-N	306.240	1.417	50	20	DDGD	
O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1	913731547	MOVMOPIRNJRXLK-HZSPNIEDSA-N	321.421	1.363	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)NC[C@@H]1CCC[C@@H]1C1CC1	840392307	HYOBCTQSROZGRL-GXTWGEPZSA-N	317.393	1.666	50	20	DDGD	
C[C@H](N)[C@H](C)NC(=O)NNC(=O)c1ccc(Cl)cc1Cl	842008097	VPVBXZPONHEKPH-BQBZGAKWSA-N	319.192	1.673	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CC[C@H]2CNC[C@H]2C1	842016927	ZUYMJSBSQFNLHC-BFHYXJOUSA-N	316.405	1.327	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1ccc2nc(O)[nH]c2n1	842230059	QCHWLHYPRCUKSI-UHFFFAOYSA-N	303.322	1.005	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=S)N[C@@H](C)C2CC2)C1	912161216	RBCKPMUOIDSEJS-VDDIYKPWSA-N	321.450	1.369	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCc1ccon1)c1ccccc1	747509145	AFBVIWADLWUMGD-ZDUSSCGKSA-N	302.334	1.699	50	20	DDGD	
CC(C)c1ccccc1OCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843650156	ZFYASICCPWMXRA-TZMCWYRMSA-N	320.389	1.761	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCCN(C)Cc1ccc(F)cc1	748977538	RCNYRBWRPUZMFV-UHFFFAOYSA-N	310.373	1.244	50	20	DDGD	
O=C(NNC(=O)c1ncccn1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1	842173716	YKPAZWBZACKAAV-FRRDWIJNSA-N	317.393	1.780	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NNC(=S)NC(C)(C)C	742843458	PQGAUGYDBLORNX-UHFFFAOYSA-N	310.379	1.811	50	20	DDGD	
C[C@H](CNC(=O)NNc1cccc(F)n1)C(=O)OC(C)(C)C	848666392	AHNKHGYIUAQUIP-SECBINFHSA-N	312.345	1.825	50	20	DDGD	
O=C(NNc1ncncc1F)[C@@H]1COCC[C@@H]1c1ccccc1	841440883	XTXOMOOJBCVXTR-CHWSQXEVSA-N	316.336	1.879	50	20	DDGD	
CSCCC=NNC(=O)c1csc(N2CCOCC2)n1	755564979	YWWJJEUSRPHZOG-UHFFFAOYSA-N	314.436	1.448	50	20	DDGD	
Cn1c(=O)oc2cc(C=NNC(=O)c3ccc(C#N)cc3)ccc21	754941610	JIHXNENSPSEHAJ-UHFFFAOYSA-N	320.308	1.767	50	20	DDGD	
CN(CCNC(=O)NC[C@]1(C)C[C@@H]1Br)C1CC1	856838503	COGITJGIZOBLKU-JQWIXIFHSA-N	304.232	1.553	50	20	DDGD	
O=C1C[C@H](C(=O)OC[C@@H](CBr)C2CC2)CCN1	859594120	QHQVSVHZYSETLB-NXEZZACHSA-N	304.184	1.477	50	20	DDGD	
C=CCC1(O)CCN(C(=O)/C(C#N)=C/c2cnn(C)c2)CC1	924440113	QHAQEQONWMFNAI-NTEUORMPSA-N	300.362	1.257	50	20	DDGD	
CC(C)Oc1ncccc1NC(=O)NNC(=O)c1cccnc1	755947321	HJILDVFYHPDKDV-UHFFFAOYSA-N	315.333	1.730	50	20	DDGD	
CC(C)(C)OC(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)cn1	858121397	DUGRWOLXYSEIOE-UHFFFAOYSA-N	320.349	1.600	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C[C@H]2CCCCO2)c1	755046301	NROGXHSIIKBFQS-GFCCVEGCSA-N	322.361	1.424	50	20	DDGD	
CN1C(=O)CC[C@@H]1CC(=O)NNc1ccc([N+](=O)[O-])cc1F	855623523	HGCKHPPZCAKYAE-MRVPVSSYSA-N	310.285	1.188	50	20	DDGD	
O=C(NN=C1CCCc2occc21)[C@@H]1CN2CCC[C@@H]2CO1	853389963	FVAZOCDMWMJFHS-ABAIWWIYSA-N	303.362	1.299	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cc(C)n(C)n2)c(O)c1	757753881	ORDXONSTEFIFIN-UHFFFAOYSA-N	303.322	1.209	50	20	DDGD	
C=CCS(=O)(=O)CCNC(=O)NNc1cc(F)ccc1C	853978749	ZYRLDQUGXAVKMQ-UHFFFAOYSA-N	315.370	1.361	50	20	DDGD	
C=C[C@H](CC)CC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	929382321	VVRBPBXPKYMKHV-CYBMUJFWSA-N	317.389	1.992	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)C1(C)CCCC1	855830546	JHURGCAEPSEDFN-UHFFFAOYSA-N	311.426	1.657	50	20	DDGD	
C=C(C)[C@@H](CC(=O)NN(C)C(=S)NCCCOC)OCC	854283150	JTWXWTQZZKXORI-GFCCVEGCSA-N	317.455	1.232	50	20	DDGD	
O=C(NCCO[C@@H]1CCOC1)NNc1cc(F)cc(Cl)c1	927526120	NGXKRCHFACLBAU-GFCCVEGCSA-N	317.748	1.911	50	20	DDGD	
Cc1ccc2c(c1)C(=NNC(=O)[C@@H](C)NS(C)(=O)=O)CCC2	753922052	OXSOSHWABGEUTJ-LLVKDONJSA-N	323.418	1.089	50	20	DDGD	
Nc1ncc([N+](=O)[O-])cc1C(=O)NNc1ccc([N+](=O)[O-])cc1	758357093	PYRVOIUMYMDGEU-UHFFFAOYSA-N	318.249	1.237	50	20	DDGD	
O=C(NNc1cc(Cl)nc(Cl)c1)C1(n2cnnn2)CC1	854988663	DXKSSUFXULYNIT-UHFFFAOYSA-N	314.136	1.007	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cccc(N2CCCC2)c1	854287796	OBWZBYSRSXCEOP-UHFFFAOYSA-N	312.373	1.700	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(N(C)C)nc2ccccc12	758442066	MGSRCXBOROQQMW-UHFFFAOYSA-N	315.377	1.607	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cccc2c1OCCC2=O	757979407	YVWBERNAKUIQHM-UHFFFAOYSA-N	305.334	1.851	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)[C@@H]1CC12CCC2	759797509	OUXYEIRWMLUHOZ-NSHDSACASA-N	309.460	1.976	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1ccnc(Br)c1	758148706	NEGWFIUTIQVRFY-UHFFFAOYSA-N	321.134	1.314	50	20	DDGD	
Cc1nccn1CCCNC(=O)NNc1ncc(Cl)cn1	856843536	OXWBOOMNGDMODW-UHFFFAOYSA-N	309.761	1.351	50	20	DDGD	
CCCOc1cccc(CC(=O)NNC(=O)c2cc[nH]n2)c1	855357830	QUBGLCLKTMFIPK-UHFFFAOYSA-N	302.334	1.202	50	20	DDGD	
C[C@@](O)(CC(=O)NNc1nc(-c2cccnc2)no1)C1CC1	755885382	WANBDEZNPGXCOF-CQSZACIVSA-N	303.322	1.126	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC=C(C(F)(F)F)CC1	757119565	BNRUIAIOBXVQFV-SNVBAGLBSA-N	321.343	1.763	50	20	DDGD	
O=C(NCCS(=O)(=O)C1CC1)c1cccc(CCl)c1	1335951154	DUZOEGDABVUOKO-UHFFFAOYSA-N	301.795	1.732	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN(C(=O)c2ccccc2)C1)C1CCC1	859328483	QKBLVMHLKVXMSE-AWEZNQCLSA-N	315.373	1.096	50	20	DDGD	
CNS(=O)(=O)[C@H]1CCN(C(=O)c2cccc(CCl)c2)C1	1336419184	ZUIRNIOFJZQEGA-LBPRGKRZSA-N	316.810	1.189	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cn[nH]c2)c2ccccc2O1	858508881	RMPATZAEGWOCKG-BXKDBHETSA-N	315.333	1.266	50	20	DDGD	
NC(=O)c1csc(C=NNC(=O)COc2ccccc2F)c1	755881809	XACCSOBKUFMFLA-UHFFFAOYSA-N	321.333	1.515	50	20	DDGD	
CC1(C)C[C@]1(C(=O)NNC(=O)c1ncccn1)c1ccccc1	854952540	LEQORQAKRHACLA-QGZVFWFLSA-N	310.357	1.606	50	20	DDGD	
C[C@]1(CNC(=O)c2cccc3nn[nH]c23)C[C@@H]1Br	857732816	CXWVYTMVQKYCCB-JOYOIKCWSA-N	309.167	1.861	50	20	DDGD	
C[C@@H]1CCCN(C[C@@H](C)NC(=O)NNc2ccc(F)cn2)C1	753916762	ZRCGEYBTEILXAA-VXGBXAGGSA-N	309.389	1.967	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)c1	862477635	OWFOIQJPUAKKCK-VHSXEESVSA-N	309.391	1.109	50	20	DDGD	
N#CC1=CCN(C(=O)[C@H]2CCN(Cc3ccccc3)C2=O)CC1	935159474	GPOQAACIHKCYQX-MRXNPFEDSA-N	309.369	1.717	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)c2cccc(F)n2)c(C2CC2)n1	869312752	TXPFSKOVJZMLGW-UHFFFAOYSA-N	317.324	1.389	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccccc1CS(C)(=O)=O	769986165	NADGOSLOEVSPFV-UHFFFAOYSA-N	315.351	1.014	50	20	DDGD	
C[C@H](CCc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	869068220	OBEVIPYIICQYQG-LALPHHSUSA-N	322.380	1.967	50	20	DDGD	
O=C(NNC(=O)c1coc(C2CCOCC2)n1)c1ccccn1	769675907	FHWCGPYXHHPHLY-UHFFFAOYSA-N	316.317	1.038	50	20	DDGD	
COCCOC[C@@H](C)NS(=O)(=O)CC(C)(C)CCl	866875294	YBGHVFBMWNEHIV-SNVBAGLBSA-N	301.836	1.222	50	20	DDGD	
O=C1NCC[C@]1(C(=O)NNc1ncc(Cl)cn1)C1CCCC1	862257096	AYBSFAUYULUEJV-AWEZNQCLSA-N	323.784	1.270	50	20	DDGD	
COc1ccc(C=O)cc1C(=O)NNC(=O)NCC(F)(F)F	868028309	VILXJMIHJFWMQR-UHFFFAOYSA-N	319.239	1.014	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)Nc2ncn(C(C)(C)C)n2)c1	860920754	HGSSTHLIEHTGGY-UHFFFAOYSA-N	322.394	1.870	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)n[nH]1	869017367	LEUDUQUVKRRAFN-PBHICJAKSA-N	312.373	1.602	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=C2CC(c3cccc(Cl)c3)C2)N1	863147296	CEQOHJVVWQASLT-HQVZTVAUSA-N	305.765	1.968	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C2CCCc3ccc([N+](=O)[O-])cc32)N1	863153030	LIQAUXCRHRIMBE-CYBMUJFWSA-N	316.317	1.030	50	20	DDGD	
CCc1csc(-n2cc(C(=O)NNc3ncccn3)cn2)n1	762948227	RTCHITOMXNZMJI-UHFFFAOYSA-N	315.362	1.438	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cnc(-c2cccnc2)s1	761389428	OKGVVZVILQDFGK-UHFFFAOYSA-N	317.374	1.559	50	20	DDGD	
CCc1nnc(-c2cccc(NCc3ccc(B(O)O)cc3)c2)o1	864029842	UBWYBALXFDKRGI-UHFFFAOYSA-N	323.161	1.591	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cc(F)c(SC)c(F)c1	763442841	DNGYOXSTDVKVQI-UHFFFAOYSA-N	317.317	1.183	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CCC(C)CC1	862460422	GILIQOBEKRHHMS-TUUUFIMRSA-N	309.410	1.265	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NN=c1sc2ccccc2n1C	762436382	NMTRHLXIXMYVKG-UHFFFAOYSA-N	321.402	1.761	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(CS(C)(=O)=O)cc1	769985357	HIUGJULPMNXGEC-UHFFFAOYSA-N	315.351	1.014	50	20	DDGD	
CC[C@@H](C)[C@H](NC(=O)NNC(=O)c1cccnn1)C(F)(F)F	879383518	NPAVLQFZRDXPBX-APPZFPTMSA-N	319.287	1.398	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@H]1C=NNC(=O)c1ccncc1	872324218	MJWDEOATFIGXDB-UONOGXRCSA-N	313.361	1.791	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H](C)N2CCSCC2)n1	764372852	PSTOQQRCSPZVTM-MRVPVSSYSA-N	315.830	1.319	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=S)Nc1ccc(OC)nc1)C1CC1	874954777	CSCXBGIAQCEWLW-GFCCVEGCSA-N	324.406	1.223	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNC(=O)C2CCCC2)ccc1F	764076793	GLVHEBFKUIKVJH-UHFFFAOYSA-N	307.325	1.410	50	20	DDGD	
CCCCN(CC)C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1118764129	KXWLLHDVBNEKKS-GWCFXTLKSA-N	319.243	1.925	50	20	DDGD	
COc1ccc2c(c1)OC[C@H](C(=O)NNc1ccc(F)cn1)C2	874651155	JWRZRRALOXEAKR-LLVKDONJSA-N	317.320	1.924	50	20	DDGD	
Cc1c(N)cccc1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	772088784	QESSYRBKLZUODP-LLVKDONJSA-N	321.377	1.316	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCCc1ccc2c(c1)OCCO2	875374949	QKARXTBHUPRCOH-UHFFFAOYSA-N	323.349	1.303	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cscc1Cl	771885393	SPKFEMIXSQGVDP-JTQLQIEISA-N	315.826	1.820	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CCC(=O)c2ccccn2)c1	770233486	NKAIRJPIWQEHSE-UHFFFAOYSA-N	322.324	1.377	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(C(=O)OC)cc1C	1116563715	RFZSJTSSFLHFCX-SECBINFHSA-N	307.350	1.980	50	20	DDGD	
O=C(NNC(=O)c1ccn(C(F)F)n1)NC1CCCCC1	775638470	IVUTZKRGTSECED-UHFFFAOYSA-N	301.297	1.555	50	20	DDGD	
COCCOCC(=O)NN=C1CCOc2ccc(C)c(C)c21	872401949	OSCHVYKDNCVOIO-UHFFFAOYSA-N	306.362	1.569	50	20	DDGD	
COc1nccnc1NNC(=O)c1cn(C2CC2)c(C)cc1=O	774464052	FSNXJXRDPYMOQX-UHFFFAOYSA-N	315.333	1.047	50	20	DDGD	
COc1ccc(NC(C)=O)cc1NC(=O)NNc1ncccn1	775460768	WSPNHQKCCURVJR-UHFFFAOYSA-N	316.321	1.592	50	20	DDGD	
COC(=O)c1cc(OC(=O)c2ccncn2)ccc1[N+](=O)[O-]	777659652	FGBFCHMOXDPONU-UHFFFAOYSA-N	303.230	1.391	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)[C@@H]1CN2CCCN1CC2	885125408	QGZUJIRWVLOSRI-AWEZNQCLSA-N	308.813	1.481	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=C1COC[C@H]1C	884393288	ZOUHBSFDUMTFHC-LLVKDONJSA-N	300.362	1.737	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1cccc2cc[nH]c12	773500969	YZRAPENTDGUUOT-UHFFFAOYSA-N	302.334	1.300	50	20	DDGD	
O=C(CCn1ccccc1=O)NNc1ccc2ccccc2n1	777465657	VFYMGSLIVYSDRT-UHFFFAOYSA-N	308.341	1.930	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)c2ccccc2)cc(O)n1	777392356	BKBNOGGWHZPRBQ-UHFFFAOYSA-N	313.357	1.834	50	20	DDGD	
COC(=O)CCc1csc(NC(=O)NNc2ccccn2)n1	779071877	GSKUWEVQPQSNSS-UHFFFAOYSA-N	321.362	1.792	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1ccc(C#N)c(F)c1	776767969	YLSCNJCHMCGZJX-UHFFFAOYSA-N	302.309	1.160	50	20	DDGD	
Cc1c[nH]cc(C(=O)NNC(=O)c2cc3c(s2)CCC3)c1=O	781417371	GDNGJGYGSLLTQK-UHFFFAOYSA-N	317.370	1.308	50	20	DDGD	
CCC[C@@H](C(=O)OCC)S(=O)(=O)NCCSSC	882167816	AAXDSZYLIRPXDX-VIFPVBQESA-N	315.482	1.649	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)[C@H]1CCCN1C1CC1	787209879	UAZCDBDRAYOSEX-CYBMUJFWSA-N	322.434	1.248	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cn(C)nc2OC)cc1	883955622	CQBAAZQOKAPOFV-UHFFFAOYSA-N	302.334	1.066	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1Cc2cc(C)c(C)cc2O1	887144768	ZCXHKQNJTQGJMI-HNNXBMFYSA-N	300.358	1.558	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ccccc2)c(OC)n1	784769882	QTUOAOZSCQYHIV-UHFFFAOYSA-N	316.317	1.181	50	20	DDGD	
C=C(CBr)n1cc(CO[C@H](C)C(=O)OC)nn1	881316420	QAJFMUQLLQSFJL-MRVPVSSYSA-N	304.144	1.222	50	20	DDGD	
CCN(CC)C[C@H](C)NC(=O)NNc1ncncc1Cl	781002026	XBAHTRWWCXPAQT-VIFPVBQESA-N	300.794	1.486	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1nccnc1Sc1ccccc1	784985150	HDAFOQIKZYAYRW-UHFFFAOYSA-N	314.370	1.799	50	20	DDGD	
Cc1nc(O)c2ccc(C(=O)NN[C@H](C)C(F)(F)F)cc2n1	897874922	ADEIKQVVEXJBEH-ZCFIWIBFSA-N	314.267	1.829	50	20	DDGD	
C[C@H]1CC[C@@H](NC(=O)NNc2cccc(S(C)(=O)=O)c2)C1	780794639	OVGGVZSPDOZNRY-WDEREUQCSA-N	311.407	1.905	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cnn(-c2ccncc2)c1	899997182	KFLSNDGVXVEPRK-UHFFFAOYSA-N	318.406	1.175	50	20	DDGD	
CCC(CC)(C(=O)NNC(=O)c1cccnn1)c1ccccc1	893681972	UMDNWOZTDVTFTN-UHFFFAOYSA-N	312.373	1.996	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCC[C@H]1C(F)(F)F)C1CCOCC1	894102192	ZODAJOVIZLXFML-WDEREUQCSA-N	322.327	1.929	50	20	DDGD	
CCCC(=O)N1CCC[C@@H](C(=O)NNc2ccc(C#N)cn2)C1	899663711	KSCBAOHLUCTTBV-CYBMUJFWSA-N	315.377	1.435	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1n[nH]cc1C	799408455	VPRBTSVMUOQMJS-UHFFFAOYSA-N	302.334	1.121	50	20	DDGD	
CC(C)Cc1ncc(NC(=O)NNC(=O)c2ccc[nH]2)cn1	791948804	IYQDKTSWIFKJRO-UHFFFAOYSA-N	302.338	1.470	50	20	DDGD	
COCCO[C@H]1COCC[C@@H]1NC(=O)NCCSSC	790829899	FDNFXQUCZRACCM-QWRGUYRKSA-N	324.468	1.117	50	20	DDGD	
O=C(NN=C1CN2CCC1CC2)[C@@H]1COc2ccccc2O1	793245328	JMKHPCGCEYGYIH-HNNXBMFYSA-N	301.346	1.024	50	20	DDGD	
Cc1cccnc1NNC(=O)COc1ccccc1[N+](=O)[O-]	791223878	LHDHUODGKAPMHX-UHFFFAOYSA-N	302.290	1.820	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2c(C)nn(-c3ccccc3)c2N)n[nH]1	794920137	FYAQYGSWLUKVEN-UHFFFAOYSA-N	323.360	1.558	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H]1CC(c2cccnc2)=NO1	790129765	XKFAXYNAKLIJLY-OAHLLOKOSA-N	324.340	1.344	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCCO2)Nc1ccccc1	797970118	LKBYMAKDYTWTSH-UHFFFAOYSA-N	313.313	1.924	50	20	DDGD	
CCC(=O)NN=C(CC)c1ccc(Cl)c(S(N)(=O)=O)c1	794464980	RHRLRSFQEIGRQU-UHFFFAOYSA-N	317.798	1.628	50	20	DDGD	
C[C@H](Oc1ccc(C=NNC(=O)c2ccccn2)cc1)C(=O)O	794856895	SYQCBMJWNJMVDS-NSHDSACASA-N	313.313	1.697	50	20	DDGD	
Cc1nn(C)c(C=NNC(=O)c2n[nH]c3c2CCCC3)c1Cl	1339319376	LDTNPGDLADJJTA-UHFFFAOYSA-N	320.784	1.748	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCc2cnc(C)s2)c1	1331295388	HXYVHGNXTXGHMC-UHFFFAOYSA-N	310.404	1.966	50	20	DDGD	
CCCC[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)C1CCNCC1	1261375581	SXKGLUULZCEPPS-OCCSQVGLSA-N	310.442	1.675	50	20	DDGD	
C[C@@H]1[C@@H](C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)C1(F)F	1347658730	AMIRXZYEXWBZJG-SKDRFNHKSA-N	320.299	1.535	50	20	DDGD	
CN(NC(=O)c1n[nH]cc1Br)C(=O)OC(C)(C)C	1346847807	GIXYEZJNNAVGPX-UHFFFAOYSA-N	319.159	1.684	50	20	DDGD	
CCc1ncoc1C(=O)NNc1ccc(CC(=O)OC)cc1	1353727051	OEUJWPMPOACCDB-UHFFFAOYSA-N	303.318	1.709	50	20	DDGD	
CCOC(=O)c1cc(CNC[C@@]2(C)C[C@@H]2Br)[nH]n1	1351163009	MBMCFMLTCIPFSF-CMPLNLGQSA-N	316.199	1.850	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cnc(Cl)cc1C(F)(F)F	1528509812	PVYRRLNZGXCEMC-LURJTMIESA-N	311.691	1.711	50	20	DDGD	
CS(=O)(=O)c1ccc(NNC(=O)c2cc(C(=O)O)co2)cc1	1607382339	OZLVFDCXGZXQTA-UHFFFAOYSA-N	324.314	1.138	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2CCc3nc[nH]c3C2)cccc1C(=O)O	1607553306	PSUHNAHRTXPHGO-SNVBAGLBSA-N	314.345	1.665	50	20	DDGD	
CC[C@H](C)C(=O)NN=Cc1c(F)cc(-c2nn[nH]n2)cc1F	1603994581	FEAAMHCYQGQJTB-ZETCQYMHSA-N	308.292	1.641	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ccsc2C(=O)O)n1	1600705256	IOYLNQYMMSAETI-UHFFFAOYSA-N	312.738	1.955	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@]23CCCN(CC2)C3)c(F)c1	1602385213	RXRXYFFCFURMEL-HNNXBMFYSA-N	307.325	1.453	50	20	DDGD	
Cn1nc(C(=O)O)cc1C(=O)NNc1ccc(Cl)c(F)c1	1605538625	CXVZSXFNRRDFHG-UHFFFAOYSA-N	312.688	1.668	50	20	DDGD	
O=C(NNc1cnccn1)Nc1cc(C(=O)O)c(F)cc1F	1601562151	VMYBLNUHWDMZFN-UHFFFAOYSA-N	309.232	1.602	50	20	DDGD	
O=C(NCc1ccc(O)cc1)NNc1cccc(C(=O)O)c1	1608468270	AYPYQQGOYNXYRE-UHFFFAOYSA-N	301.302	1.917	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1n[nH]cc1C(=O)O	1602847843	YBJYEVPCRXMKMH-LURJTMIESA-N	304.144	1.856	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccc([N+](=O)[O-])cc1F)C(=O)O	1603183716	ACTAJYNOPLYIIB-LURJTMIESA-N	300.246	1.081	50	20	DDGD	
CN1CCN(C(=O)C2CCC(Cl)CC2)C[C@H](C(=O)O)C1	1606229421	XVZOMBRDRVVROH-MOENNCHZSA-N	302.802	1.259	50	20	DDGD	
CCC(=O)N1CSC[C@H]1C(=O)NNc1ccccc1C(=O)O	1609883982	XTQJCYWEFWINCF-NSHDSACASA-N	323.374	1.139	50	20	DDGD	
Cc1cc(C)n([C@H](C)C(=O)NNc2ccc(C(=O)O)cn2)n1	1610454938	FHLBIQKKIBAOAF-SNVBAGLBSA-N	303.322	1.297	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@@H]1C(=O)NN=CC1(C)COC1	1549316673	STILBPGHVYLTOJ-AAEUAGOBSA-N	306.366	1.026	50	20	DDGD	
C/C=C(/C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2	1800470453	PXESKPSCHJTJEH-YIVIPLIISA-N	318.776	1.077	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)NN=Cc1cscn1	1549316549	PTNFWPJPEGMFCZ-WCQYABFASA-N	319.390	1.495	50	20	DDGD	
CCCN(NC(=O)[C@@H](F)[C@H]1CCNC1)C(=O)OC(C)(C)C	1577530477	KZXNOTHNIPTLIE-QWRGUYRKSA-N	303.378	1.612	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccccc1OCC(=O)O	1589010753	GVRDZACTSIOLEP-DGCLKSJQSA-N	320.345	1.415	50	20	DDGD	
CC(C)[C@H](S)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843362387	RMUOSQOZUTUOGA-UWVGGRQHSA-N	322.833	1.679	50	20	DDGD	
CC(C)(CCl)C(=O)N1CC2(CCCN2C(=O)C#CC2CC2)C1	1841539772	KGEGBKKRZJHZAL-UHFFFAOYSA-N	322.836	1.868	50	20	DDGD	
CN(C)N(C(=O)[C@@]1(C)CCCO1)c1nc(CC(=O)O)cs1	1598256130	MUVRHWJXEVDSQE-CYBMUJFWSA-N	313.379	1.149	50	20	DDGD	
N#C/C(=C/c1cnc2ccc(-c3nn[nH]n3)cn12)c1ccncn1	1592662566	SCTZCCLFLXDWSD-WZUFQYTHSA-N	315.300	1.369	50	20	DDGD	
COc1ccc(C(=O)NNc2cccc(F)c2C(=O)O)nn1	1599484332	VUATVZCAEVDNDZ-UHFFFAOYSA-N	306.253	1.079	50	20	DDGD	
CO[C@@H](C(=O)O)C(=O)NNc1cc(C(F)(F)F)ccc1F	1593911944	VASRNOGMEFLBFO-MRVPVSSYSA-N	310.203	1.387	50	20	DDGD	
CN(C)N(C(=O)C[C@@H]1CCOC1)c1nc(CC(=O)O)cs1	1598257000	ZJAVNOJSNXVTFT-VIFPVBQESA-N	313.379	1.006	50	20	DDGD	
Cc1ccc(C=NNC(=O)c2ccc(CO)o2)c(C(=O)O)c1	1776097158	ONYHGTMPMGVROY-UHFFFAOYSA-N	302.286	1.542	50	20	DDGD	
COC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(F)F	1795561238	FPWFKDUDVOLWQK-UTINFBMNSA-N	324.755	1.144	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)Cc2ccccc2F)c1	14622362	OVNCGIWZXYWANT-UHFFFAOYSA-N	315.348	1.895	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(Cl)nc2)cc1	16509474	TTXAMEKTCJVUQL-UHFFFAOYSA-N	305.721	1.818	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc(S(C)(=O)=O)cc1	17398439	XXJIGYURWLQQPU-UHFFFAOYSA-N	314.363	1.260	50	20	DDGD	
Cc1ccc2ncc(C(=O)NNc3cccc(C#N)c3)c(=O)n2c1	152325857	QESRGLLJOVGXBA-UHFFFAOYSA-N	319.324	1.632	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1coc(-c2ccccc2)n1	157242620	CVVBZNUVLXVRPR-UHFFFAOYSA-N	318.333	1.322	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)CN(C)C)cc1Cl	155783188	MDFDVDSTCASOSW-UHFFFAOYSA-N	314.773	1.453	50	20	DDGD	
CS[C@@H](C)CC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	155499200	FSUUYTQBZXOXMQ-VHSXEESVSA-N	314.382	1.882	50	20	DDGD	
CCN([C@@H]1CCNC1=O)S(=O)(=O)c1ccc(CCl)cc1	915234067	PDJJHNHHSMIEFU-GFCCVEGCSA-N	316.810	1.325	50	20	DDGD	
ICCN1CCN(C2CCCC2)CC1	190812343	VYQBZDDOHVGJDP-UHFFFAOYSA-N	308.207	1.982	50	20	DDGD	
CC[C@@H]1CN(S(=O)(=O)c2ccc(CCl)cc2)C[C@@H]1O	399926011	WFHMHOGGZCQIBY-YPMHNXCESA-N	303.811	1.817	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)c2ccc[nH]2)cc1OC	6991006	KTKFVTLWIWKWKX-UHFFFAOYSA-N	303.318	1.036	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1n[nH]c2ccccc12	7810489	SUCWWGKDMMEFQA-UHFFFAOYSA-N	321.406	1.051	50	20	DDGD	
O=C(CCc1cccnc1)NNC(=O)c1cccc([N+](=O)[O-])c1	7910106	UJVNPXBWPKWQCC-UHFFFAOYSA-N	314.301	1.384	50	20	DDGD	
Cc1ccc(O[C@H](C)C(=O)NNC(=O)c2c[nH]nc2C)cc1	109858998	FYFXQBGHLVRETK-LLVKDONJSA-N	302.334	1.255	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cc(C)nn2C)c(C)c1	102891276	XHXLDLSLVABVHY-UHFFFAOYSA-N	315.377	1.218	50	20	DDGD	
Cc1ccnc(NNC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c1	176755157	NXVQFGHOIYEPSN-TXEJJXNPSA-N	316.361	1.008	50	20	DDGD	
CN(C)[C@H](C(=O)NNC(=O)Cc1cccnc1)c1ccccc1	171596272	ZCDLQGUQFCNECF-INIZCTEOSA-N	312.373	1.074	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cccn2C)cccc1[N+](=O)[O-]	61527694	MBPSCRDIOWXUDJ-UHFFFAOYSA-N	302.290	1.317	50	20	DDGD	
O=C(CCOC[C@@H]1CCCO1)NNc1c(F)cccc1F	118515726	HHMYVGVZIXGLBI-JTQLQIEISA-N	300.305	1.994	50	20	DDGD	
Cc1cccnc1CNC(=O)NNc1ccc(-n2cccn2)nn1	105288938	WVYQQSDFOYMEOP-UHFFFAOYSA-N	324.348	1.192	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)C(F)(F)C(F)F	176509547	MPORMLHCFUMSDQ-UHFFFAOYSA-N	317.242	1.689	50	20	DDGD	
CS(=O)(=O)c1ccc(NC(=O)NNc2ccccc2)cn1	65772398	AUYZPLLBUPNPOL-UHFFFAOYSA-N	306.347	1.634	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)CCc1ccoc1	177556721	DSEZAIVVTKANMA-UHFFFAOYSA-N	318.329	1.447	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)cc1	1263822647	UUWRRSFBQNKKIB-BFHYXJOUSA-N	319.361	1.024	50	20	DDGD	
O=C(COc1ccc2c(c1)CCC2)NNc1ncnc2nc[nH]c12	173966648	JFAYQIASFIMAJB-UHFFFAOYSA-N	324.344	1.364	50	20	DDGD	
Cc1cccc(NC(=O)NNC(=O)C2CCNCC2)c1Cl	1348522641	ONHIWMMHZKCUMQ-UHFFFAOYSA-N	310.785	1.801	50	20	DDGD	
CN1CCC[C@H](CNC(=O)NNc2ccc(C(C)(C)C)nn2)C1	118578297	KPYBCKLAGBFWDK-GFCCVEGCSA-N	320.441	1.742	50	20	DDGD	
CCNC(=O)NNS(=O)(=O)c1cccc2cc(C)cnc12	64940132	VRNSOUWLJWPSQM-UHFFFAOYSA-N	308.363	1.056	50	20	DDGD	
CCCCNC(=O)NNC(=O)C[C@@H](C)NC(=O)c1ccccc1	68266598	JPJXOCTWOIYYFA-GFCCVEGCSA-N	320.393	1.326	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1ccc(-n2ccnn2)cc1	125550596	DGRSTRRBAOJSES-UHFFFAOYSA-N	313.361	1.609	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)cc1F)NNc1ccccc1	66609819	JLNXSOXPWHSCKP-UHFFFAOYSA-N	305.284	1.838	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)[C@@H]1C[C@H]1c1ccco1	123103616	ZXVPSGYQIINXLP-CHWSQXEVSA-N	318.304	1.749	50	20	DDGD	
CCc1noc2ncc(C(=O)NNc3cc(C)nc(C)n3)cc12	128791315	HHSXENMOVYFCEF-UHFFFAOYSA-N	312.333	1.949	50	20	DDGD	
O=C1CCc2cc(C(=O)NNc3ncc(F)cn3)c(F)cc2N1	122853495	HJXQDSJFNHULPM-UHFFFAOYSA-N	319.271	1.396	50	20	DDGD	
Cc1cc(C(=O)NN(C)C(N)=O)c(C)n1Cc1ccccn1	181073936	GKRVFJKPTXKILM-UHFFFAOYSA-N	301.350	1.204	50	20	DDGD	
CN(Cc1ccc(C#N)cc1)S(=O)(=O)CBr	127156938	IETXSXKMOHRKDM-UHFFFAOYSA-N	303.181	1.672	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ccc(-c2ccccc2)nn1	128071447	KKNDCZCOOCPAAM-NWDGAFQWSA-N	312.329	1.396	50	20	DDGD	
Cc1ccccc1C(=O)NNc1nc2ccccc2c(=O)n1C	70919628	FVENXKCFSUCKIA-UHFFFAOYSA-N	308.341	1.999	50	20	DDGD	
CC(=O)NNC(=O)c1cc(NC(C)=O)cc(C(F)(F)F)c1	122746844	IGKHBOULCCMXCT-UHFFFAOYSA-N	303.240	1.445	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1cc(OC)c2c(c1)OCO2	34944119	MZMRGRVFAWBSTP-WZUFQYTHSA-N	305.286	1.520	50	20	DDGD	
Cc1ccc(-n2cc(C(=O)NNC(=O)CC(C)C)nn2)cc1	33226477	VFMOTKOREJETRJ-UHFFFAOYSA-N	301.350	1.383	50	20	DDGD	
Cc1ccc2cc(C(=O)NNc3ccc(C(N)=O)nn3)ccc2n1	127166145	AJWZNNBWHAXIFT-UHFFFAOYSA-N	322.328	1.189	50	20	DDGD	
C#CCCCCC(=O)NNc1c(OC)cccc1S(C)(=O)=O	186067135	ZISYQWMTTNJOJS-UHFFFAOYSA-N	324.402	1.735	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCCc2ccccc2)nn1	78108943	IMEBTUYOOVCLPS-UHFFFAOYSA-N	314.345	1.269	50	20	DDGD	
CCc1ccc(O)c(C(=O)NNC(=O)c2ccccc2O)c1	72055112	QJQNEECSGWZJDU-UHFFFAOYSA-N	300.314	1.735	50	20	DDGD	
CCCNC(=S)NNC(=O)c1ccc(Cl)cc1OC	49412188	JMMJHBUVOVJWNW-UHFFFAOYSA-N	301.799	1.868	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	70853842	ZCBVEAYFQAEHPN-NFAWXSAZSA-N	313.357	1.356	50	20	DDGD	
CN(NC(=O)c1cccc(COc2cccc(C#N)c2)c1)C(N)=O	181070975	IXLZOZNAGFATFQ-UHFFFAOYSA-N	324.340	1.793	50	20	DDGD	
COCCCNC(=O)NNC(=O)/C=C/c1cc(C)cc(C)c1	181793590	CTSDXMJICCYECX-AATRIKPKSA-N	305.378	1.684	50	20	DDGD	
COC(=O)C1(C(=O)NNc2ccc(OC(F)(F)F)cc2)CC1	135003086	VLYMDODIVCJGJW-UHFFFAOYSA-N	318.251	1.982	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(F)nc1	74398375	HFVBCVRSGJZPHP-VIFPVBQESA-N	321.283	1.588	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1csnn1	41687030	HJRLVAKJXYRURL-UHFFFAOYSA-N	306.391	1.516	50	20	DDGD	
CC(C)(C)C(=O)NCCC(=O)NNC(=O)CCc1ccccc1	132633743	NMLFFCZGKUKASJ-UHFFFAOYSA-N	319.405	1.319	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNc2ccccc2F)c1	137249537	ORCHXGRYOAGVFP-UHFFFAOYSA-N	303.293	1.916	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](C)c1cnn(C)c1C	47007418	BKTRLPIUONQXTG-LLVKDONJSA-N	315.377	1.742	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccc(Cl)nn2)cc1	193940634	XBNIVJQHQUFBTO-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	133274578	USGXEKSGNIGRIO-MNOVXSKESA-N	312.341	1.556	50	20	DDGD	
CNC(=O)NNC(=O)C1(c2ccc(Br)cc2)CC1	48949895	MVNPDRWFJMSKTN-UHFFFAOYSA-N	312.167	1.441	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1nc(C2CC2)cs1	83064634	UJMNRXLCQWLTJP-UHFFFAOYSA-N	317.374	1.811	50	20	DDGD	
O=C(NNc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cn1	193778701	MCTBYYZEVLYGMT-UHFFFAOYSA-N	308.700	1.956	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@H](C(=O)OC)c1ccc(F)cc1	192734351	LHZWBPHUOWOOGP-WONIAPNHSA-N	320.320	1.642	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)c1c(O)cccc1O	92120948	DDILQNPUZVIXJA-UHFFFAOYSA-N	314.341	1.882	50	20	DDGD	
O=C(C[C@H](O)c1ccc(Cl)cc1)NNC(=O)[C@@H]1CCCO1	91095434	RPEMHMGRFVCILN-RYUDHWBXSA-N	312.753	1.090	50	20	DDGD	
COc1cc(C)nc(NNC(=O)/C=C\c2ccccc2C#N)n1	255710779	OBMFKPZGAGKXMK-FPLPWBNLSA-N	309.329	1.822	50	20	DDGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)NC[C@@H]2C1	267728571	ZTVSEMUWNPEAMH-TYBUVKLMSA-N	313.317	1.169	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNC(=O)COc1ccccc1OCC	269304831	LJJXTXIGBLIILT-INIZCTEOSA-N	324.377	1.163	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccc(OC2CCOCC2)cc1	266067822	XFRQPVGSIWTBKK-UHFFFAOYSA-N	304.346	1.415	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@H]1CCOc2ccccc21	264676382	WEIWZAOWHDTLRQ-GFCCVEGCSA-N	305.378	1.929	50	20	DDGD	
CC1(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)CCC1	267354461	FZFFLRSLXGHQRC-UHFFFAOYSA-N	323.418	1.761	50	20	DDGD	
CC[C@H](OC1CCCCC1)C(=O)NNc1ccc(C(N)=O)nn1	268678745	OUACBYNJVZUKCN-LBPRGKRZSA-N	321.381	1.147	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1C1CCCC1)c1cccnc1	269574561	BZDMJOCZDPMKMZ-CQSZACIVSA-N	302.378	1.250	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(OC(F)F)cc1)S(C)(=O)=O	269608286	NLWNWTUZPYAHCZ-UHFFFAOYSA-N	322.333	1.554	50	20	DDGD	
O=C(CSc1nccc2ccccc12)NNC(=O)C1CC1	268712482	KUOWHDOUDLEQDA-UHFFFAOYSA-N	301.371	1.884	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H]2CCCCO2)c1OC	269398107	DDCHCHUSVYCJBW-LBPRGKRZSA-N	308.334	1.034	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@@H]2CSCCS2)n1	268078002	FIXHYBAGSXTXCG-SNVBAGLBSA-N	313.452	1.568	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)Nc1cccc2c1CCCC2	274125566	UEKZFUNLPFJVDF-UHFFFAOYSA-N	315.373	1.451	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)COc2ccc(F)cc2)CCCOC1	272644438	OHGSWKVBCPVEMZ-HNNXBMFYSA-N	310.325	1.169	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)CC(C)(C)O)o1	279502575	KGHAPXYWIBFXOZ-UHFFFAOYSA-N	311.382	1.043	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cccc(Cl)n1	278777301	YPGXLSCSQQXJDW-UHFFFAOYSA-N	315.757	1.285	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NNC(=O)c2ccccc2F)C1(C)C	271789539	GHMNCBCIUNTWJQ-ZWKOPEQDSA-N	323.368	1.829	50	20	DDGD	
Cc1noc(C)c1NC(=O)NNC(=O)COCc1ccccc1	273399306	MRBGPZULWSBPMW-UHFFFAOYSA-N	318.333	1.661	50	20	DDGD	
CSCc1ccc(NC(=O)C(=O)NNC(=O)CC2CC2)cc1	274050354	IPHKIEAOGPMADG-UHFFFAOYSA-N	321.402	1.436	50	20	DDGD	
Cc1ncc(NC(=O)NNC(=O)C(C)(C)c2ccccc2)cn1	273374946	HBUDFXHORZJEIC-UHFFFAOYSA-N	313.361	1.916	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)n1	371099384	MGHAVDCMHDHZOF-JLLWLGSASA-N	321.381	1.315	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@H](F)C(F)(F)F)c1	278715084	SJNUNXDLDIOSAE-JTQLQIEISA-N	308.231	1.422	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(C)CCC(N)=O)cc1	286324047	YGYPHMKWNHOBJF-JLHYYAGUSA-N	301.346	1.326	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)[C@H](C)OC)c1	283565637	GNMZEQBJXYWRFI-ZETCQYMHSA-N	301.730	1.536	50	20	DDGD	
O=C1CCC[C@@H]1[C@@H]1COCCN1S(=O)(=O)CCCCCl	373428311	XTKDOWQLTGWKJA-NEPJUHHUSA-N	323.842	1.405	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCCC2(O)CCC2)c1	284522122	BOUUPUZYOMZWJS-UHFFFAOYSA-N	320.393	1.002	50	20	DDGD	
COC(C)(C)C[C@H](C)NC(=O)NNC(=O)c1cccc(C)n1	280816793	ILJQIBOGGQKSFD-NSHDSACASA-N	308.382	1.538	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc2c(c1)SCC(=O)N2	289462684	IINHYMBQXFPHFG-UHFFFAOYSA-N	307.375	1.538	50	20	DDGD	
Cc1nc2ccc(NS(=O)(=O)CCCCCl)cn2n1	281290379	XUMNUMDSOVGPGQ-UHFFFAOYSA-N	302.787	1.798	50	20	DDGD	
CN(C)C(=O)CN1CCN(C(=O)c2cccc(CCl)c2)CC1	386958030	VJZJTPNVGWTORF-UHFFFAOYSA-N	323.824	1.271	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ccc2c(=O)[nH]ccc2c1)N(C)C	803435982	QYDIXCJJFOAGPI-CQSZACIVSA-N	302.378	1.557	50	20	DDGD	
CC(C)Cn1cc(NC(=O)NNC(=O)[C@H]2CCCCO2)cn1	296928164	OPGZIRWDNSNIFY-GFCCVEGCSA-N	309.370	1.261	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	295393082	QQOWSUBMXQEUFN-IUCAKERBSA-N	317.267	1.743	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc(-c2cnco2)cc1	295615891	REMCBJWGBJRGEY-CYBMUJFWSA-N	315.329	1.672	50	20	DDGD	
CC1(C)CN(CC(=O)NNC(=O)C2CC2)[C@@H]1c1cccs1	805839511	QQIUWXJZRRJTPE-CYBMUJFWSA-N	307.419	1.688	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNc1cnc2ccccc2n1	809799808	WJIIZSYOXBVFBG-SNVBAGLBSA-N	302.334	1.662	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)[C@@H]1CCCCO1	296142539	JAOAUNPQXWMRPZ-LBPRGKRZSA-N	322.321	1.625	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNc1ccc(Br)nc1	806846972	DUSMZPPYIRASRF-UHFFFAOYSA-N	323.150	1.509	50	20	DDGD	
C[C@@H]1Sc2ccc(C(=O)NNC(=O)CC3CC3)cc2NC1=O	294123174	KNVLLABYSYHZJK-QMMMGPOBSA-N	319.386	1.680	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)/C(C#N)=C\c2ccc(O)cc2)O1	293790974	CCDFEIUBWKEHLT-SZVJIJLYSA-N	315.329	1.014	50	20	DDGD	
O=C(NNC(=O)c1c[nH]nc1-c1ccccn1)c1ccccc1	809954062	VEEQYENDEOLEQE-UHFFFAOYSA-N	307.313	1.547	50	20	DDGD	
Cc1cc(-c2csc(NNC(N)=O)n2)c(C)n1-c1nc[nH]n1	800721205	OKFXEHBYBZNRMI-UHFFFAOYSA-N	318.366	1.331	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1CCCSC1	809984522	NNMGASMAWUYRFO-LLVKDONJSA-N	318.402	1.547	50	20	DDGD	
CC[S@@](=O)CC(=O)NNC(=O)c1ccc(Cl)cc1Cl	295301953	XSWYVFAHHZJWQH-LJQANCHMSA-N	323.201	1.523	50	20	DDGD	
COc1ccc(C)cc1NC(=O)C(=O)NNc1cccc(F)n1	807392082	FURLCWQAYKNSAL-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
CC1CC(C(=O)NNC(=O)CN(C)C)(c2cccc(Cl)c2)C1	294809931	FUGSXLZDERBDMF-UHFFFAOYSA-N	323.824	1.717	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H](C)CS(C)(=O)=O)cc1	294248240	GVYZFIRMIAZKCO-SNVBAGLBSA-N	300.380	1.209	50	20	DDGD	
COC(=O)[C@H]1CC[C@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	295393075	QQOWSUBMXQEUFN-BDAKNGLRSA-N	317.267	1.743	50	20	DDGD	
C#Cc1cncc(C(=O)NNc2ccc(OC)cc2[N+](=O)[O-])c1	807099062	JCTZLLYPBDTOGV-UHFFFAOYSA-N	312.285	1.737	50	20	DDGD	
NS(=O)(=O)c1ccc(NC(=O)NN=Cc2ccccc2)cc1	814969466	KQIBGOOTEQXLHB-UHFFFAOYSA-N	318.358	1.490	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)c2ccc3c(c2)OCCO3)C1	819803058	GNAJNBYCCYBJAR-UHFFFAOYSA-N	318.329	1.517	50	20	DDGD	
Cc1nc2cc(F)cc(C(=O)NNc3nc[nH]n3)c2nc1C	816634049	WXUIUVUEEHFYMZ-UHFFFAOYSA-N	301.285	1.261	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2cnc(N(C)C)nc2)cc1	814712015	FWUXZPDYPJVWGW-UHFFFAOYSA-N	312.377	1.413	50	20	DDGD	
CN(NC(=O)c1ccc(S[C@@H]2CCOC2=O)cc1)C1CC1	819649091	FDIAIXNFVGNBTR-CYBMUJFWSA-N	306.387	1.833	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)[C@@H](C)CN1CCC(C)CC1	811635403	WRGNLXULCUMMOG-DZGCQCFKSA-N	322.453	1.515	50	20	DDGD	
CCOc1ccc(NNC(=O)CN(C)[C@H]2CCSC2)cc1	817900241	ZWZBCEMHKZPYFJ-ZDUSSCGKSA-N	309.435	1.966	50	20	DDGD	
Cn1nncc1NNC(=O)CCc1ccc(OC(F)F)cc1	816769406	GSMRIMRGHWRENV-UHFFFAOYSA-N	311.292	1.492	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1c[nH]nc1-c1ccccn1	810408181	YRVVTGAUPLQCNH-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1cccc2cc(C)cnc12	496104876	WDEPNLHVBXZVGQ-UHFFFAOYSA-N	309.347	1.435	50	20	DDGD	
CCOC(=O)N1CCC(C(=O)NNc2cc(C)nc(C)n2)CC1	491566776	FVSZNRDIIZDYNK-UHFFFAOYSA-N	321.381	1.405	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2ccccc2O)cc1	825536268	MUMUUJIETAKSQU-UHFFFAOYSA-N	315.329	1.274	50	20	DDGD	
O=C(CCc1ccccc1)NNc1ccc(-c2nn[nH]n2)cc1	826409127	JUPQIEUGZHRTEQ-UHFFFAOYSA-N	308.345	1.943	50	20	DDGD	
Cc1ccc([C@@H]2C[C@H]2NC(=O)NNC(=O)c2cnn(C)c2)cc1	827415531	YQTVHUQHNYPNBK-UONOGXRCSA-N	313.361	1.229	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)/C=C/[C@H]2CCOC2)c1	493730903	XCXUNAYUJQNLIC-XGACYXMMSA-N	318.373	1.422	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1c2ccccc2SC[C@H]1C	828364764	JDOACEXLKZLYCX-LLVKDONJSA-N	307.419	1.791	50	20	DDGD	
O=C(NN=C1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccc[nH]1	823270035	VXSLDGZKNFKSNJ-UHFFFAOYSA-N	321.344	1.665	50	20	DDGD	
Cc1cc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)cn(C)c1=O	490976099	QJXTTYOJCUNGQJ-JYRVWZFOSA-N	309.325	1.945	50	20	DDGD	
CC(C)(C)c1n[nH]cc1-c1nc(-c2ccc(B(O)O)cc2)no1	585053123	BKOBQANYUYWAHC-UHFFFAOYSA-N	312.138	1.104	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ncc(C(F)(F)F)cc1Cl	823384742	SWIWVPNJCMKSRA-ZCFIWIBFSA-N	311.691	1.711	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(OCc2ccccc2)cn1	823902208	MQSDUKIALZSZOD-UHFFFAOYSA-N	315.373	1.620	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)/C=C\c2ccc(O)cc2)cc1	492629568	GCOSLIPMRYYANK-YHYXMXQVSA-N	307.309	1.738	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCCOc1ccccc1Cl	823965883	VCYMSNOAOHVANE-NSHDSACASA-N	300.786	1.843	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H]1CSC(c2ccccc2)=N1	900416945	JYDADPMKWBHYBP-NSHDSACASA-N	306.391	1.287	50	20	DDGD	
C[C@H](NC(=O)[C@]1(C)C[C@@H]1Br)C1=CCN(C)CC1	907282792	FLALAQDNRPKJIC-XHVZSJERSA-N	301.228	1.927	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)N3CC[C@@H](B(O)O)C3)on2)cc1	585074617	BPEVLEZHSJZFCD-GFCCVEGCSA-N	300.123	1.339	50	20	DDGD	
CCc1nnc(C(=O)NNC(=O)C(C)(C)c2ccccc2)s1	900634869	ORQDAYFPKHDYTF-UHFFFAOYSA-N	318.402	1.839	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NC[C@@H](C)C(=O)O)cc1	737194778	JPUZRENKQPLFBN-JYVXZMADSA-N	302.330	1.829	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@H]2CCC[C@H](OC)C2)n1	826971445	XVFLUKPFMMMLDU-STQMWFEESA-N	321.425	1.971	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	738905066	HKSCRMBYDJTLDN-UHFFFAOYSA-N	319.273	1.863	50	20	DDGD	
CCn1cc(C(=O)NNc2cccc(C(=O)OC)c2C)nn1	825157616	PEPBWJNHHGYDLP-UHFFFAOYSA-N	303.322	1.150	50	20	DDGD	
CCC(CC)[C@@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1	584948535	HQIPXVHZFRHEGI-CYBMUJFWSA-N	307.174	1.404	50	20	DDGD	
COc1ccccc1C(=O)NN=C(C)c1c(C)nc(O)nc1O	731487389	RQLYLBPARQXPLQ-UHFFFAOYSA-N	316.317	1.359	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H](C)CCSC	736386682	KMKAMTOLOOYBHV-JTQLQIEISA-N	311.407	1.781	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	831042296	QPWGKAFPPLELOU-ZWNOBZJWSA-N	305.334	1.467	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2ccc3c(c2)OCCO3)c2nccn21	834937580	UKGPVCIUANXBRL-JTQLQIEISA-N	312.329	1.753	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@@H]1CCCN1CC(F)(F)F	830956028	UHDOCXXHNMVLRZ-IEHMKBBKSA-N	305.300	1.573	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@H]1Cc1ccccc1)c1ncon1	832830115	HZZDYCKNFQOGCD-STQMWFEESA-N	314.345	1.490	50	20	DDGD	
C=CCCOCCNC(=O)NNC(=O)Nc1ccc(OC)cc1	836377644	UCLKBKYBYBEQEO-UHFFFAOYSA-N	322.365	1.624	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N(CC1CC1)C1CCCCC1	584938557	BNCAQXQJRRAWIJ-UHFFFAOYSA-N	319.185	1.690	50	20	DDGD	
C[C@@]1(C(=O)N2CCC3(CC2)CNC(=O)O3)C[C@H]1Br	907602124	MDPMYGXNPRCWFF-LDYMZIIASA-N	317.183	1.261	50	20	DDGD	
CCN(CC)C(=O)CNC(=O)NNc1c(F)cccc1F	735756521	GRZNQLIUDSUMTA-UHFFFAOYSA-N	300.309	1.459	50	20	DDGD	
CC(C)CN1CCN(C(=O)[C@@]2(C)C[C@@H]2Br)CC1	905381365	QADGCXDOWYPQPE-AAEUAGOBSA-N	303.244	1.960	50	20	DDGD	
CCC[C@@H](C=NNC(=O)c1nnc(O)c2ccccc12)OC	834926542	PZYANPLCEDLUDS-JTQLQIEISA-N	302.334	1.866	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1c(Cl)c(C)nn1C	901418676	NHYXVYOUTYYVIT-FLIBITNWSA-N	310.785	1.832	50	20	DDGD	
CC(C)(C)OC(=O)CCC(Cc1ccccc1)=NNC(=O)CO	834968416	KWDBWECQBYFYNX-UHFFFAOYSA-N	320.389	1.816	50	20	DDGD	
CCc1noc(NC(=O)NNC(=O)Cc2ccccc2C)n1	836671720	XGTYCOULZROIKM-UHFFFAOYSA-N	303.322	1.336	50	20	DDGD	
C[C@@H]1CC=C(C(=O)NNC(=O)Cc2cn3ccccc3n2)CC1	836735405	LSMCPMDUKBFSRA-GFCCVEGCSA-N	312.373	1.771	50	20	DDGD	
CCOCCONC(=O)NNc1ccc(F)c(C(=O)OC)c1	838557695	SJMHPFWATIWHGM-UHFFFAOYSA-N	315.301	1.207	50	20	DDGD	
CCn1cc(CC(=O)NNc2cccc(Br)n2)cn1	837212770	VCTMXDXEZAWSAZ-UHFFFAOYSA-N	324.182	1.746	50	20	DDGD	
C/C=C/C(=O)NNC(=O)c1ccc(F)cc1Br	737805597	GDZKYRNFGYTSBM-NSCUHMNNSA-N	301.115	1.925	50	20	DDGD	
C=C(C)COCCNC(=O)NNC(=O)Nc1ccc(OC)cc1	836362362	RCQOUMXJYZWOLP-UHFFFAOYSA-N	322.365	1.624	50	20	DDGD	
O=C(NC[C@@H]1CCCNC1=O)NNc1ccc(Cl)c(F)c1	838779764	QNUFSGSYAVHXAT-QMMMGPOBSA-N	314.748	1.631	50	20	DDGD	
CCCN1CCC[C@H]1C(=O)NNc1ccc(C(=O)OC)c(F)c1	837051511	LCFGCAYJDXFHIV-AWEZNQCLSA-N	323.368	1.930	50	20	DDGD	
C[C@H](C(=O)NNC(=O)COc1ccc(F)cc1)c1ccco1	741662079	KIOGADFNEKAKJD-JTQLQIEISA-N	306.293	1.749	50	20	DDGD	
CN1N=C(C(=O)NNc2ncccc2C(F)(F)F)CCC1=O	740093413	OFQWRFUSSULWTM-UHFFFAOYSA-N	315.255	1.152	50	20	DDGD	
O=C(NNC(=O)[C@H](c1ccccc1)n1cccn1)C1CCCC1	747639135	DGHJCLQXQNVYCI-HNNXBMFYSA-N	312.373	1.810	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCC1	910146596	LCQVEZXOOYQEBV-ZYHUDNBSSA-N	315.414	1.024	50	20	DDGD	
CCCC[C@@H](NC(=O)NNC(=O)c1ncccn1)C1CCC1	841592713	WJNLSHNSOCVKRH-GFCCVEGCSA-N	305.382	1.780	50	20	DDGD	
NC[C@H]1CC[C@H](NC(=O)NNC(=O)CCCc2ccccc2)C1	842009707	GHJHZWKUXADCOG-GJZGRUSLSA-N	318.421	1.467	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cc1coc2ccccc12	843658812	VZHROFOWPZLHHE-CMPLNLGQSA-N	302.330	1.548	50	20	DDGD	
CCNCCCNC(=O)NNc1ccc(C(=O)OC)cc1F	841917234	IHIDENODMYZHKA-UHFFFAOYSA-N	312.345	1.238	50	20	DDGD	
Cc1noc([C@@H](C)N(C)C(=O)NNC(=O)c2ccccc2C)n1	848641365	CQRHKQBRCRWDLY-SNVBAGLBSA-N	317.349	1.734	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCCCNC(C)C)cc1	841933510	DULCYXKFNPCYGO-UHFFFAOYSA-N	322.409	1.092	50	20	DDGD	
CC(=O)c1cccc(OCCCC(=O)NN(C)C[C@H](C)O)c1	910170163	ZKCDKHWZOIWKJI-LBPRGKRZSA-N	308.378	1.392	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C[C@@H](C)c1ccc(F)cc1	843642094	DSYRITPABVHSQB-UHIISALHSA-N	308.353	1.892	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)SCC(=O)OC(C)C	741475660	AGALZVPSNGJSBV-SNVBAGLBSA-N	304.412	1.253	50	20	DDGD	
O=C(NN=Cc1cccc(O)c1)c1nnc(O)c2ccccc12	916317664	GAJHUGIAOAWHOP-UHFFFAOYSA-N	308.297	1.805	50	20	DDGD	
O[C@@H]1CCN(C2CN(Cc3ccc(OCCCCl)cc3)C2)C1	846068746	ZUNXLJPIRMDTNP-MRXNPFEDSA-N	324.852	1.945	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1c(C)[nH]c(C(=O)OCC)c1C	913435566	BOHVQHKECOHPFO-UHFFFAOYSA-N	324.406	1.103	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)[nH]c2c1C(=O)CCC2	843978917	ZDTVTUPCYJTESE-ZJUUUORDSA-N	319.361	1.028	50	20	DDGD	
CCOc1ccc(CC(=O)NNC(=O)CC(F)(F)F)cc1	918364525	OKPCTHIPJLDZMG-UHFFFAOYSA-N	304.268	1.728	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCCOc1ccccc1F	918059526	XRROIHWRLJUWPF-UHFFFAOYSA-N	323.246	1.487	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H]2CNCCCO2)c(Cl)c1	842009725	FMVWYRCKBOTFTN-NSHDSACASA-N	312.801	1.653	50	20	DDGD	
CC(=O)NNC(=O)c1ccccc1OCc1csc(C)n1	747422728	NHXSKERQAORTLD-UHFFFAOYSA-N	305.359	1.811	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)Nc1ccc2c(c1)OCO2	743810783	KYTYEIWJJVVGNY-UHFFFAOYSA-N	318.289	1.544	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2cccc(C#N)c2)[C@H](C)[C@H]1C	841578608	QYYBHABYOLDNJV-GRYCIOLGSA-N	300.362	1.889	50	20	DDGD	
Cn1ncc2cc(C(=O)NNC(=O)NC3CCCCC3)cnc21	747346064	ULWFQFPSQSZMCC-UHFFFAOYSA-N	316.365	1.245	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cnc2c(cnn2CC(C)C)c1	748218683	GCOKHGMFKKBPQC-UHFFFAOYSA-N	317.393	1.894	50	20	DDGD	
CCN(CCC#N)CC(=O)NNC(=O)c1cccc(Cl)c1	746463074	NPNDJKFCKCDMGD-UHFFFAOYSA-N	308.769	1.337	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2ccc(F)c(F)c2)n1	920343701	BPOIKFXRKYHECI-UHFFFAOYSA-N	309.276	1.590	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)NC[C@@H]2CCN2C)cc1	925394559	PZFOLHZZDJMCTP-LBPRGKRZSA-N	322.434	1.122	50	20	DDGD	
CN(CC(=O)NNC(=O)NC1CCCCC1)c1ccccc1	743841907	FMFHPGLENYBVCD-UHFFFAOYSA-N	304.394	1.786	50	20	DDGD	
Cc1c(C(=O)NNC(=O)Cc2cc[nH]n2)oc2c(F)cccc12	755288664	KCIFSEJGEOQMJQ-UHFFFAOYSA-N	316.292	1.607	50	20	DDGD	
COC(=O)N(C)CCNC(=O)/C(C#N)=C\c1ccc(O)cc1	855943388	XIEHCNFZBFYSRN-XFXZXTDPSA-N	303.318	1.114	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)C#CC(C)C)c1C	854218304	SUEUWWRNWBMHOF-CQSZACIVSA-N	302.374	1.878	50	20	DDGD	
CCO[C@H](C(=O)NNc1nc(-c2ccncc2)no1)C1CC1	859073315	RSHXOXAEGAEBHN-NSHDSACASA-N	303.322	1.390	50	20	DDGD	
CCOCCC1(C(=O)NNC(=S)NCC2CCC2)CCC1	855090887	UEXFSZLQYARNQC-UHFFFAOYSA-N	313.467	1.879	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)NC(=O)NNc1ccc(F)c(F)c1	922749561	NREAMTVQWJRVOO-VIFPVBQESA-N	309.320	1.956	50	20	DDGD	
CN(C)CCn1ccc(C(=O)NNc2ccc(Cl)cn2)n1	856094213	AOCYBFZVDVIQBQ-UHFFFAOYSA-N	308.773	1.250	50	20	DDGD	
COC(=O)c1csc(NC(=O)NNC(=O)c2cccnc2)c1	757680315	OICYDHVXRAGVNX-UHFFFAOYSA-N	320.330	1.396	50	20	DDGD	
CN(Cc1cn(C)nn1)C(=O)NC[C@]1(C)C[C@H]1Br	856893849	QTLIBPXRLDHPLK-KOLCDFICSA-N	316.203	1.130	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H](CCO)C2CC2)cc(C#N)n1C	757073786	RDGMIFRXUIKOKW-SNQWNFELSA-N	312.373	1.389	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@H](C)c1cnn(C(C)C)c1	754805454	IVOHKGPOGWBDCO-CHWSQXEVSA-N	323.441	1.697	50	20	DDGD	
C[C@@H]1CCCC[C@H]1CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	920819106	UYMUEFVRJNFLOO-HZSPNIEDSA-N	316.467	1.695	50	20	DDGD	
COCCCNC(=O)NN=C1CCc2c(cccc2OC)C1	754944025	WMNBCIFPCMTHSE-UHFFFAOYSA-N	305.378	1.876	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)N[C@H]1C[C@H](c2cccc(F)c2)C1	858417831	DRJJYCGOCMFZMC-MJHDQNEOSA-N	317.324	1.439	50	20	DDGD	
O=C(COCc1ccccc1)NN=Cc1cnc2ncccn12	755732675	HMKQZBGNZFEEON-UHFFFAOYSA-N	309.329	1.396	50	20	DDGD	
Cc1cccc([C@H](O)CNC(=O)NNC(=O)C2CCCC2)c1	753343856	KNRUMSPWLRDCIV-CQSZACIVSA-N	305.378	1.549	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	854283941	QNXOGGVMKHHWGJ-ITGUQSILSA-N	315.483	1.933	50	20	DDGD	
NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1nc2ccc(Cl)cc2s1	856234484	AFWXOPOOJDYMSK-YUMQZZPRSA-N	324.793	1.904	50	20	DDGD	
CSC(C)(C)C(=O)NNC(=O)Cc1nc2ccccc2n1C	854201739	RPFHZVGKJFSMEK-UHFFFAOYSA-N	320.418	1.405	50	20	DDGD	
CNC(=S)N(C)NC(=O)C1(c2ccc(F)cc2F)CCC1	854922405	JGPQQLFBUZPRCF-UHFFFAOYSA-N	313.373	1.854	50	20	DDGD	
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NNc1ncc(Cl)cn1	856878718	ZGUMGVBLFBZPDT-LDYMZIIASA-N	310.789	1.239	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cn2c(n1)CCCC2)C1CC1	855097730	WXYBCCRZWLMRDD-SECBINFHSA-N	307.423	1.127	50	20	DDGD	
Cn1c(CC(=O)NN=CC2CCOCC2)nc2ccccc21	755535290	IPDMWUQMQWPBFK-UHFFFAOYSA-N	300.362	1.644	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)CCOC1	754836920	QTJMDZGZPSTENH-INIZCTEOSA-N	314.345	1.264	50	20	DDGD	
O=C(NN=Cc1cc(F)ccc1O)c1cc([N+](=O)[O-])ccc1O	755750129	OSHODYPYJKPNEX-UHFFFAOYSA-N	319.248	1.909	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C1CN(C)C[C@H]1C	752161302	VFYQGFGDBBJVRS-GFCCVEGCSA-N	305.378	1.518	50	20	DDGD	
O=CN1CCC[C@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	854988610	CDVISLPQQBOZOF-QMMMGPOBSA-N	303.149	1.452	50	20	DDGD	
CO[C@@H](C=NNC(=O)CNC(=O)c1cccs1)C1CCCC1	853299108	JSLJRNXBSWOKCQ-LBPRGKRZSA-N	323.418	1.785	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@H]2C=NNC(=O)[C@@H]2CCOC2)cn1	853339293	ZYUGUHWAPFUWDJ-OUCADQQQSA-N	306.366	1.119	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNc1ncc(Cl)cn1	857358463	XRSRZCUAQZTCOA-UHFFFAOYSA-N	300.746	1.553	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCC(=O)NC1CCCC1	751728147	VZXYGOXISKXOBH-UKTHLTGXSA-N	315.348	1.908	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cc(C)cc(C(=O)OC)c1	933032304	MQTHLHSSHDPOQH-SNVBAGLBSA-N	307.350	1.980	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)C(C)(C)C)c1nc(C)cs1	754321779	AUTDCSDPZLAZSP-JTQLQIEISA-N	312.439	1.686	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC2=CCCC2)cc1OC	851934870	HRXTWZIZCCHDMM-UHFFFAOYSA-N	319.361	1.758	50	20	DDGD	
COCCN(C)NC(=O)c1ncc(C(F)(F)F)cc1Cl	935911069	ZOAUISLMHGSBAS-UHFFFAOYSA-N	311.691	1.977	50	20	DDGD	
COCCn1cc(C(=O)NNC(=O)c2cc(C)cs2)c(C)n1	862477608	OFVFJWVDSFJBHI-UHFFFAOYSA-N	322.390	1.283	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2cnc([C@H](C)O)s2)c1	862479380	LZKCOZPQDCSBAB-ZETCQYMHSA-N	311.388	1.641	50	20	DDGD	
O=C(CCC(=O)c1ccc(Cl)cn1)NNC(=O)C1CCC1	769572130	BHWPQBHRSSCZMC-UHFFFAOYSA-N	309.753	1.645	50	20	DDGD	
COCC(=O)Nc1ccc(NC(=O)NNC(=O)C(C)(C)C)cc1	769948912	YBUOXKSQFKSUBI-UHFFFAOYSA-N	322.365	1.470	50	20	DDGD	
CC(C)[C@H](CC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1	862456078	UWGGEYBVIDRURK-KBPBESRZSA-N	317.389	1.242	50	20	DDGD	
CC(C)(C)OC(=O)[C@@H](C(=O)NNC(=O)c1cn[nH]c1)C(C)(C)C	862467215	RDDUBAUKIMVRSI-SNVBAGLBSA-N	324.381	1.175	50	20	DDGD	
Cn1nc(C2CC2)cc1C(=O)NNC(=O)c1ccc(C#N)cc1	931162266	MNDJZFZEQOVXPK-UHFFFAOYSA-N	309.329	1.244	50	20	DDGD	
Cc1ccc([C@H](C)[C@H](O)C(=O)NNc2ncc(F)cn2)cc1	765221892	MXQAMPNOVXFUMH-GWCFXTLKSA-N	304.325	1.532	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cnc(O)c(C(F)(F)F)c1	930134235	QIHRJUGKZVFFAB-UHFFFAOYSA-N	317.267	1.757	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc1	863856752	MMSAIBVMAUHNQL-LBPRGKRZSA-N	311.407	1.110	50	20	DDGD	
O=C(Cc1ccco1)NNC(=O)c1cc(-c2ccccc2)on1	764636357	QVMFQDGIYLRDCS-UHFFFAOYSA-N	311.297	1.938	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1	763432615	YLSCXCCELHLTGJ-UHFFFAOYSA-N	303.240	1.201	50	20	DDGD	
C[C@H]1CC(C)(C)CC1=NNC(=O)Cc1cc(O)nc(S)n1	766001865	KVQYRYQKRDOTNX-QMMMGPOBSA-N	308.407	1.942	50	20	DDGD	
Cc1cccc(NNC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)n1	862525536	RAMFKJOVCZWUDB-RYUDHWBXSA-N	316.361	1.008	50	20	DDGD	
CCn1cc(NC(=O)NNCC(F)(F)C(F)(F)F)cn1	860329545	DDIJZBKZMBQISR-UHFFFAOYSA-N	301.219	1.727	50	20	DDGD	
COCCOc1ccc(CC(=O)NN=c2cc[nH]c(C)c2)cc1	862512135	LEFACDDVCSJMPH-UHFFFAOYSA-N	315.373	1.523	50	20	DDGD	
COCc1nocc1C(=O)NNc1cccc(C(=O)OC)c1C	1118829561	MZORCJIFIQPGAY-UHFFFAOYSA-N	319.317	1.673	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=Cc1cc(F)ccc1F	763197101	ZFZAINKLOOINSI-UHFFFAOYSA-N	318.283	1.240	50	20	DDGD	
CN(NC(=O)[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@H]21)C(N)=O	867127163	LNGXLCDZNDUXFY-HBNTYKKESA-N	324.178	1.377	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)Nc1cncc2ccccc12	764144024	ZWIJTXDYJXKXCL-UHFFFAOYSA-N	312.329	1.121	50	20	DDGD	
CCCOc1cc(F)ccc1NC(=O)C(=O)NNC(=O)CC	763441497	VLKXUFUZNJFKIP-UHFFFAOYSA-N	311.313	1.110	50	20	DDGD	
Cn1c(C(=O)NNC(=O)Cc2ccc(F)cc2)ccc1[N+](=O)[O-]	761399552	AEDSLGLNEHKFRH-UHFFFAOYSA-N	320.280	1.076	50	20	DDGD	
COCCC1(C(=O)NNC(=S)Nc2ccccn2)CCC1	874956033	IPQSDVUIGRSWSF-UHFFFAOYSA-N	308.407	1.606	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CCCCOC)c1	874950654	VMDOJZGZDPMWQN-UHFFFAOYSA-N	305.403	1.802	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(F)c(C(=O)OC)c(F)c1	879505506	ZQVZXTZVFIFPLV-UHFFFAOYSA-N	317.292	1.366	50	20	DDGD	
COc1c(Br)cccc1C=NNC(=O)CN(C)C	774386179	VEYNWKOMCWSPGG-UHFFFAOYSA-N	314.183	1.469	50	20	DDGD	
CC[C@@H](C)n1nc(C(=O)NNc2nncc(N)c2Cl)cc1C	1116494241	BESRYAGXPDGPKW-SSDOTTSWSA-N	323.788	1.945	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c(Br)c1)c1cccnc1	1116067899	HVNYTGWOSLECKA-UHFFFAOYSA-N	309.123	1.247	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C2(F)CCCC2)c1	776108188	SYYOHVHFVZZXGM-UHFFFAOYSA-N	309.341	1.537	50	20	DDGD	
CCOCC(=O)NN[C@H](CC)C(=O)N(C)c1ccc(C)cc1	871873916	YVLHBDBXSHTGCV-CQSZACIVSA-N	307.394	1.394	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(Cc2ccccc2)CC1	772186295	VOWOXWFAEZOSFY-LBPRGKRZSA-N	318.373	1.498	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C2(C#N)CC(C)C2)nc1C	778429193	IUAHRPCVIMPIPJ-UHFFFAOYSA-N	317.349	1.345	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)[C@@H]1CC(=O)N(C2CC2)C1	777463781	RMJDOZYDCBZWEL-GFCCVEGCSA-N	310.357	1.689	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1	775410433	SOEWGTUHNYJTTF-UHFFFAOYSA-N	318.293	1.850	50	20	DDGD	
COC[C@H](OC)C(=O)NNC(=S)Nc1cccc(Cl)c1	873785297	CATFYRCGWGHIPO-JTQLQIEISA-N	317.798	1.319	50	20	DDGD	
CCc1cnccc1CNC(=O)NNc1nc(C)cc(OC)n1	779407761	BXXNLCGFVWIVLA-UHFFFAOYSA-N	316.365	1.577	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)c1nc2ccccc2s1)C1CC1	874913304	BSZAAOBYTZICGW-GFCCVEGCSA-N	319.386	1.872	50	20	DDGD	
CCOC(=O)N1CC[C@@H](NC(=O)NNc2cccc(C)n2)C1	875502182	LURNXFBHPOVJHP-LLVKDONJSA-N	307.354	1.247	50	20	DDGD	
CO[C@@H](CC(=O)NNC(=S)Nc1ccccn1)C(F)(F)F	874957823	URQPQMKQVSJLDL-ZETCQYMHSA-N	322.312	1.367	50	20	DDGD	
Cc1cc(C)cc(C(=O)NCC(=O)NCCCSC#N)c1	773586527	GKEOSJJMDMDLIU-UHFFFAOYSA-N	305.403	1.754	50	20	DDGD	
O=C(NNc1ccccn1)c1ccc(CN2CCCC2=O)cc1	777472943	OAKOZOSFDUOWTL-UHFFFAOYSA-N	310.357	1.961	50	20	DDGD	
CC(C)[C@@]1(C)C[C@H]1C(=O)OCC(=O)NNC(=O)c1cccs1	775077677	OHJOKJHXLSFWKP-ZUZCIYMTSA-N	324.402	1.735	50	20	DDGD	
Cn1cc(Br)c(NC(=O)NNC(=O)CC2CC2)n1	879966037	FLWUTUADHGUSAL-UHFFFAOYSA-N	316.159	1.135	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C(C)(C)c1cccc(F)c1	772141380	YPQQQXHTXOULGF-SNVBAGLBSA-N	324.352	1.592	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)C1CC1)c1cc(F)ccc1F	775456030	VOLOUFOGAJWLBI-ZDUSSCGKSA-N	311.332	1.563	50	20	DDGD	
Cc1ccn(CC(=O)NN=c2cc[nH]c3ccccc23)c(=O)c1	774008840	LWXXNPSCGXMGGF-UHFFFAOYSA-N	308.341	1.270	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)Cc1cn2ccccc2n1	772893232	NNXXHYOWXHCGJO-UHFFFAOYSA-N	310.361	1.934	50	20	DDGD	
CCCCCCO[C@H](C)C(=O)NNC(=O)C1CCOCC1	883071198	RHKJIEPZXREZIV-GFCCVEGCSA-N	300.399	1.546	50	20	DDGD	
CCNC(=O)NNS(=O)(=O)c1cccc2c(C)ccnc12	777617638	WWNKKYVRKVWDMK-UHFFFAOYSA-N	308.363	1.056	50	20	DDGD	
COCC1(C(=O)NNC(=O)Cn2ccc3ccccc32)CC1	778708812	VSPYZQLKTQEFEC-UHFFFAOYSA-N	301.346	1.215	50	20	DDGD	
COc1ccnc(NNC(=O)C(=O)Nc2ccccc2Cl)n1	773725987	DZGJFNLMOKWCAE-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
CCC[C@@H](C(=O)NNc1nccc(OC)n1)c1ccccn1	773776309	GVOZTKFDGQXIIP-LLVKDONJSA-N	301.350	1.907	50	20	DDGD	
COc1ccc(NNC(=O)NCc2ccc(OC)nc2)nc1	780948111	CVOYJLBCVXPVMV-UHFFFAOYSA-N	303.322	1.320	50	20	DDGD	
COc1ccc(NNC(=O)Nc2nnc(C3CC3)s2)nc1	780666240	ZSKPWXKCRUVKQN-UHFFFAOYSA-N	306.351	1.968	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)C2CCC(OC)CC2)n1	781949758	SSMIHJSMXVUAAZ-UHFFFAOYSA-N	321.425	1.971	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(OC)cc1OC(C)C	789750176	VUTSJYAYHJYRLM-UHFFFAOYSA-N	309.366	1.836	50	20	DDGD	
Cc1ccc2cc(C(=O)NNC(=O)C3CCOCC3)[nH]c2c1	883061146	KDPIDFSEOXVPII-UHFFFAOYSA-N	301.346	1.664	50	20	DDGD	
COc1cc(C(C)=NNC(=O)Cc2nc(C)cs2)ccn1	782180468	YBMMUUSQECDBJM-UHFFFAOYSA-N	304.375	1.938	50	20	DDGD	
Cn1cc(-c2nc(C(=O)NN=c3cc[nH]cc3)cs2)cn1	780761554	XENQEXORRBOSLP-UHFFFAOYSA-N	300.347	1.117	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@]2(OC)CCSC2)ccc1C	897815556	ASLBPWRJDLJJLS-HNNXBMFYSA-N	324.402	1.747	50	20	DDGD	
CSC1(C(=O)NNc2nccc(N3CCOCC3)n2)CCC1	787899841	JTZDRUVWLJIMEH-UHFFFAOYSA-N	323.422	1.042	50	20	DDGD	
CCCCOCCCNC(=O)NNc1ncncc1Cl	780962308	PZRVFTAEZGLHNU-UHFFFAOYSA-N	301.778	1.963	50	20	DDGD	
CC(=O)CCCC(=O)Nc1cccc(NC(=O)NN(C)C)c1	798249137	DDZQQCREGRHLTL-UHFFFAOYSA-N	306.366	1.983	50	20	DDGD	
CC(=O)Nc1cccc(CNS(=O)(=O)CBr)c1	272803185	LSKILPZRUMAPFH-UHFFFAOYSA-N	321.196	1.417	50	20	DDGD	
O=C(CCSc1ccc(F)cc1)NNC(=O)COC(F)F	794619664	KAXSDBVGDFLHPB-UHFFFAOYSA-N	322.308	1.695	50	20	DDGD	
Cc1cc(NC(=O)NNc2ccc3c(=O)[nH]ccc3c2)nn1C	794242835	MRZVKXDGLMAMKT-UHFFFAOYSA-N	312.333	1.719	50	20	DDGD	
CC[C@@H]1CN(CC(=O)NNC(=O)c2ccc(C)cc2)CCCO1	799200922	OQGHEJVBHIRJKD-OAHLLOKOSA-N	319.405	1.257	50	20	DDGD	
Cc1nn(C)c(C)c1[C@H](C)C(=O)NNC(=O)NCC(F)(F)F	798316486	ZZRNWDMYQMLPJB-LURJTMIESA-N	321.303	1.033	50	20	DDGD	
COc1cc(NNC(=O)c2cc(C(N)=O)c[nH]2)ccc1Cl	790176692	SFYTZOUBODQTAQ-UHFFFAOYSA-N	308.725	1.533	50	20	DDGD	
COC(=O)C[C@@H]1CCC(=NNC(=O)c2ccc(N)cc2)[C@H]1C	794453127	KSIPCYCKQIAVPI-JQWIXIFHSA-N	303.362	1.964	50	20	DDGD	
Cn1ncc2c1C[C@@H](C(=O)NN=c1cc[nH]cc1Cl)CC2	798993228	PFRSBMBSZVHMEG-VIFPVBQESA-N	305.769	1.139	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@@H]1Cc2ccc(F)cc21	798125325	FIIVOEPOZXIYFY-SECBINFHSA-N	305.231	1.358	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cccc(NC(=O)N(C)C)c1	1319018245	UAERRLFDZIYOSP-UHFFFAOYSA-N	323.422	1.297	50	20	DDGD	
C[C@@H](C[C@@H]1CCOC1)NC(=O)NNc1nncc(N)c1Cl	1319224596	ROCJEEJJSFOVFB-YUMQZZPRSA-N	314.777	1.153	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=Cc2cccc3cn[nH]c23)cc1	1323136777	QAVROAPHUCQFTD-UHFFFAOYSA-N	319.324	1.964	50	20	DDGD	
C[C@@H](C[S@@](C)=O)NC(=O)NNC(=O)c1ccccc1Cl	1325285100	PGMAUKIRHAKHLG-FFVOIRBGSA-N	317.798	1.051	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)Nc2cccnc2Cl)n1	1325746761	BCCBUTJTUPUCSR-UHFFFAOYSA-N	320.740	1.224	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H](O)Cc1ccccc1Cl	1320492021	LSNHLPWALRACJR-NSHDSACASA-N	315.826	1.147	50	20	DDGD	
Nc1cnnc(NNC(=O)NCc2ccc(O)cc2)c1Cl	1324011958	QVJMLAZKIRVSOK-UHFFFAOYSA-N	308.729	1.244	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)c1cnn2ccncc12	1331130372	FEXMDMXXVFAAJP-UHFFFAOYSA-N	304.313	1.456	50	20	DDGD	
Cc1cc([C@@H](C)NC(=O)NNC(=O)C2CCOCC2)c(C)o1	1331933836	SKODYJGVXLZEPG-SNVBAGLBSA-N	309.366	1.714	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1ccc(F)c(C)c1	1337762380	ONEBQERYAHOSRJ-UHFFFAOYSA-N	305.309	1.024	50	20	DDGD	
COC[C@@H](C)Oc1ccc(C=NNC(=O)C2CCOCC2)cc1	1331990603	BWCGBEWWINXLLB-CYBMUJFWSA-N	320.389	1.977	50	20	DDGD	
Cn1cc(C=NNC(=O)C2CCOCC2)c(-c2cccnc2)n1	1349839903	NWHQFNQLUVCDBY-UHFFFAOYSA-N	313.361	1.359	50	20	DDGD	
CC(C)Nc1nnc(SCC(=O)NNC(=O)C(C)C)s1	1261261980	IQQIMYYTDZHHCA-UHFFFAOYSA-N	317.440	1.254	50	20	DDGD	
CCC(C)(C)CNC(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1351173127	BNGOQSKVGVXIFY-RNCFNFMXSA-N	319.243	1.829	50	20	DDGD	
O=C(C1CCC(Cl)CC1)N1CC[C@@H](N2CC[C@@H](O)C2)C1	1352199409	SVSTWTQSPPENLX-NWINJMCUSA-N	300.830	1.452	50	20	DDGD	
CCN(CC)CC[C@@H](C)NC(=O)NNc1cccc(OC)n1	1515342466	DNDTYCLNMONRQK-GFCCVEGCSA-N	309.414	1.837	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccc3nsnc3c2)nc1	1602382744	ACILYCDTIPFTQD-UHFFFAOYSA-N	315.314	1.541	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)[C@@H]1CCc2nncn2CC1	1602471413	HRZNNMGTCPDQQD-SNVBAGLBSA-N	315.333	1.072	50	20	DDGD	
CSSCCNC(=O)NCc1ccc(-c2nn[nH]n2)cc1	1609372047	MEZZGFGEJCQUPO-UHFFFAOYSA-N	324.435	1.677	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)Cc1ccc(O)cc1	1607140025	KFFUNMSKBOWKBP-UHFFFAOYSA-N	316.313	1.785	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C[C@H](C)CC(=O)O)c1	1600545124	NZRYKLTWGVWGRG-NSHDSACASA-N	308.334	1.022	50	20	DDGD	
N[C@H](CCC(=O)O)C(=O)NNc1c(Cl)cccc1Cl	1601205046	PBXWPKMXIVCIKJ-MRVPVSSYSA-N	306.149	1.629	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1ccc(C(=O)O)c(F)c1	1601561907	ICRWYTUVCOOTSX-UHFFFAOYSA-N	309.232	1.602	50	20	DDGD	
O=C(O)Cc1ccc(NC(=O)NNc2ncccn2)cc1F	1608779843	YHFRPVOZOLXPBB-UHFFFAOYSA-N	305.269	1.391	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1cc2n(n1)CCCC2=O	1601560985	JEIASUOEZGZTNV-UHFFFAOYSA-N	314.301	1.315	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)c2cccc(-c3nn[nH]n3)c2)CS1	1603874008	QLIFOABQHQUHAV-SECBINFHSA-N	316.390	1.868	50	20	DDGD	
Cc1cnc(COCC(=O)NNc2cccc(F)c2C(=O)O)o1	1607908212	HQEKZZHFIMCUPM-UHFFFAOYSA-N	323.280	1.480	50	20	DDGD	
Cc1c(NNC(=O)CCOCC(F)F)cccc1C(=O)O	1600052017	AJDOLOWALJGISO-UHFFFAOYSA-N	302.277	1.808	50	20	DDGD	
O=C(O)CCCCCCNC(=O)NNc1ncc(Cl)cn1	1601984370	LQEANNIEFYGKKA-UHFFFAOYSA-N	315.761	1.791	50	20	DDGD	
O=C(O)COc1ccc(NC(=O)NNc2ncccc2F)cc1	1602086970	QIOJSGXRZJGLCR-UHFFFAOYSA-N	320.280	1.833	50	20	DDGD	
C[C@H](CC(F)(F)F)C(=O)NNc1cccc(-c2nn[nH]n2)c1	1603458108	LXYKDPKWCLGERR-SSDOTTSWSA-N	314.271	1.898	50	20	DDGD	
C[C@]1(C(=O)N2C[C@@H](C(=O)O)[C@H](C3CC3)C2)C[C@@H]1Br	1604486430	WJFJNRSPVFKYES-WJZNIJOASA-N	316.195	1.729	50	20	DDGD	
CCC(=O)NNC(=O)Nc1nc(C(C)(C)C(=O)O)cs1	1604858176	CBTVBAINUVJJEE-UHFFFAOYSA-N	300.340	1.068	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2CCCN2C2CC2)cc1F	1602384668	JENCSUJRDFEZRW-CYBMUJFWSA-N	307.325	1.594	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNc1ccc(C(=O)O)c(F)c1	1600667278	DAWZAXHEJCIEQE-UHFFFAOYSA-N	306.297	1.550	50	20	DDGD	
Cc1noc(CCCC(=O)NNc2ccc(C(=O)O)cc2F)n1	1600811868	LVEIPDVYDQGYSU-UHFFFAOYSA-N	322.296	1.681	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C(=O)NN=Cc1cccnc1	1549309104	KWVVPGZPVGEDNC-UONOGXRCSA-N	313.361	1.433	50	20	DDGD	
CCc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)s1	1549314956	AGKHCPJUVDMZLI-SMDDNHRTSA-N	307.419	1.624	50	20	DDGD	
COC(=O)[C@H]1CCC[C@@H](C(=O)NNc2cccc(C(=O)O)c2)C1	1610161635	OFOOLTQVOJKSDD-PWSUYJOCSA-N	320.345	1.807	50	20	DDGD	
CC(C)[C@@H](C(=O)NN=c1sc2ccccc2n1C)[C@@H](C)N	1575413945	NUCKFEJSFCIPMU-ZWNOBZJWSA-N	306.435	1.791	50	20	DDGD	
CC(C)(C)[C@H](N)CC(=O)NNC(=O)CCCc1ccccc1	1575111678	AATLZGQVGXQBJV-CQSZACIVSA-N	305.422	1.920	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C\c1cccc(F)c1-c1nn[nH]n1	1589633213	QSNYEDDDYBQDCF-WDZFZDKYSA-N	314.324	1.685	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cc[nH]n1)C2	1845163382	VBINCQZDRVADOG-JTQLQIEISA-N	310.785	1.244	50	20	DDGD	
CCn1cc(C(=O)NNc2cccc(C(=O)O)c2F)c(C)n1	1597876843	LYBUDVDBODOQCW-UHFFFAOYSA-N	306.297	1.806	50	20	DDGD	
Cc1oc(-c2nn[nH]n2)cc1C(=O)NNc1ccnc(F)c1	1592499744	BXJHIONSBCOSQQ-UHFFFAOYSA-N	303.257	1.059	50	20	DDGD	
CCCN1CC[C@@H](NC(=O)NNc2cccc(C(=O)O)c2C)C1	1595907260	WJFIMHSMMQJZFS-GFCCVEGCSA-N	320.393	1.804	50	20	DDGD	
C/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Cl)[C@H]2C1	1787448952	FJWBJCFSGZWWDT-HDVPNWOXSA-N	318.776	1.077	50	20	DDGD	
CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](F)Cl)C3)COC1	1792693920	NQDVQGDBLFAHOW-LMLFDSFASA-N	318.776	1.196	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2nc3nc(C)cc(C)n3n2)c1	150839538	PVNYDOQNKOJXJX-UHFFFAOYSA-N	314.324	1.946	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1	161958009	MDNZLIBYGKKDDA-JTQLQIEISA-N	320.176	1.766	50	20	DDGD	
CC(=O)NNC(=O)c1cn(-c2ccccc2)nc1C(C)(C)C	160463304	RRMIZJBKPYJAEW-UHFFFAOYSA-N	300.362	1.951	50	20	DDGD	
O=C(CN1CCCC1=O)NNc1ccccc1Br	153637917	XSTTZPOXYNRYIR-UHFFFAOYSA-N	312.167	1.515	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H]2CCn3ccnc3C2)cc1	155815592	NPZBBQYMZBJSDF-AWEZNQCLSA-N	312.373	1.469	50	20	DDGD	
CC1(C)CCC(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1	157772702	HBTXFJQMEGLBSC-UHFFFAOYSA-N	321.377	1.373	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2[C@@H]3Cc4ccccc4[C@H]23)o1	154706682	ZEYDZQWJVYUODN-SNPRPXQTSA-N	311.341	1.870	50	20	DDGD	
CN(NC(=O)CCCN1C(=O)c2ccccc2C1=O)C1CC1	819642949	SOOMICWLYNRYJF-UHFFFAOYSA-N	301.346	1.188	50	20	DDGD	
COCCC(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	103522766	STGJFRGURFVGLT-UHFFFAOYSA-N	308.306	1.163	50	20	DDGD	
COc1ccc(C[C@H](C)CNC(=O)NNc2ncccn2)cc1	179521375	LXVZFIRZIFVYGA-LBPRGKRZSA-N	315.377	1.990	50	20	DDGD	
C[C@]1(C(=O)NCc2cccc(O)c2O)C[C@@H]1Br	1263894292	ADAXWUHNUPWSJZ-CABZTGNLSA-N	300.152	1.888	50	20	DDGD	
CCOc1ncccc1CNC(=O)NNC(=O)CC(C)(C)C	103178281	FPWTZBRLFYIDAG-UHFFFAOYSA-N	308.382	1.747	50	20	DDGD	
CSCCCNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	172377165	AHTJFILMLSUHJG-NTUHNPAUSA-N	302.403	1.981	50	20	DDGD	
Cc1cc(C)n(CCC(=O)NNC(=O)c2ccccc2F)n1	22078322	YKGOOJOYXFHVQQ-UHFFFAOYSA-N	304.325	1.490	50	20	DDGD	
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NNC(=O)c1ccccc1C	68374247	VVVOKHRDMZJESQ-VXGBXAGGSA-N	320.393	1.242	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1cc(C2CC2)[nH]n1	178871579	DVISGEPGAJIBEN-UHFFFAOYSA-N	312.255	1.853	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1F)N[C@H]1CCOC1	178751705	DTTXWPMPNCZDOC-QMMMGPOBSA-N	301.705	1.212	50	20	DDGD	
COCc1cc(C(=O)NNC(=O)CCc2ccccc2)no1	172958330	JCYIASFQQQCUGE-UHFFFAOYSA-N	303.318	1.215	50	20	DDGD	
C[C@@H]1CN(CCC(=O)NNC(=O)CC2CCCC2)C[C@@H](C)O1	68194885	FRRCCFSIJLFEDO-CHWSQXEVSA-N	311.426	1.213	50	20	DDGD	
CCC[C@@H](NNC(=O)c1cccc(N(C)C)c1)C(=O)OCC	173836088	RUSIRXIWDPLQJD-CQSZACIVSA-N	307.394	1.719	50	20	DDGD	
O=C(NCc1ccn2ccnc2c1)NNc1ccc(Cl)nn1	177784622	DEHAYCBHKFLSJT-UHFFFAOYSA-N	317.740	1.604	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Cc2cnn(-c3ccccc3)c2)n1	24505041	UDEASPRHRICCBR-UHFFFAOYSA-N	322.372	1.965	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1N	176509767	JDUJYFPURITEAE-UHFFFAOYSA-N	321.318	1.017	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@H](C)SC)o1	67688244	MUGGVLSCYSHRJM-JTQLQIEISA-N	313.423	1.634	50	20	DDGD	
Cc1nn(C)c(C)c1CC(=O)NNC(=O)c1ccccc1F	29692483	WGOXAUOAQJQNMW-UHFFFAOYSA-N	304.325	1.180	50	20	DDGD	
Cc1noc(C)c1CNC(=O)NNC(=O)c1ccccc1F	67760197	FAEVUDZEMXVWOA-UHFFFAOYSA-N	306.297	1.575	50	20	DDGD	
COc1ccc2c(c1)CN(C(=O)NNC(=O)C(C)(C)C)CC2	171769922	GZCYZNKQLBDFET-UHFFFAOYSA-N	305.378	1.840	50	20	DDGD	
CN(NC(=O)c1cccnc1Nc1ccccc1F)C(N)=O	182650114	QMXOOYHSSBCEEI-UHFFFAOYSA-N	303.297	1.620	50	20	DDGD	
COC(=O)NCC(=O)NNc1ccc(Br)c(F)c1	184286431	DCFBWHZIILZLIW-UHFFFAOYSA-N	320.118	1.387	50	20	DDGD	
CC(C)OCCCCNC(=O)NNC(=O)Cc1ccncc1	181922563	YERCHPDFHCTLEH-UHFFFAOYSA-N	308.382	1.160	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@@H]2C[C@@]2(C)C(C)C)c1	188294318	ZUTVMELYPOMCST-YOEHRIQHSA-N	319.405	1.937	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NNC(=O)Cc1cccc2ccccc12	78876096	DDDUTGSMXYMDHN-CVEARBPZSA-N	312.369	1.955	50	20	DDGD	
COc1ccc(F)cc1NC(=O)NNC(=O)c1cccnc1	183460604	XJNPIHQYPQXTPW-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1)C1CC1	81107047	WLPLMRKIZAVQEB-HNNXBMFYSA-N	319.380	1.738	50	20	DDGD	
CCCCc1ccc(NC(=O)C(=O)NNc2cccnn2)cc1	190361313	FKRDCPVKAUVESN-UHFFFAOYSA-N	313.361	1.901	50	20	DDGD	
CNC(=O)c1cccc(CNC(=O)NNc2cccc(C#N)c2)c1	47000132	ZEDBFNRTQPQEGW-UHFFFAOYSA-N	323.356	1.744	50	20	DDGD	
C[C@H](C(=O)NNc1ccccc1OC(F)(F)F)n1cncn1	190196764	QMHZHLDIFTWGQR-MRVPVSSYSA-N	315.255	1.881	50	20	DDGD	
C[C@H](CO[C@@H]1CCOC1)NC(=O)/C(C#N)=C\c1ccc(O)cc1	194735241	DWCLMBWZHBBQRA-ABSBAICHSA-N	316.357	1.609	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCCc1ccc2c(c1)CCO2	265106165	CEKTYPSPTPOFOO-UHFFFAOYSA-N	321.377	1.903	50	20	DDGD	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)NNC(=O)C1CCC1	264793932	SIPMJLNTMRZARO-UHFFFAOYSA-N	316.361	1.156	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1cc(OC)c(OC)cc1OC	264543252	NAEVSDFGIDVZFV-ZRDIBKRKSA-N	320.345	1.773	50	20	DDGD	
CC(=O)N1CCC[C@@H](C(=O)NNc2cccc([N+](=O)[O-])c2C)C1	269640570	ZYJTVYKVGZVQBY-GFCCVEGCSA-N	320.349	1.605	50	20	DDGD	
O=C(NNc1ncccc1F)[C@H]1CCCN1Cc1ccccn1	367645163	PGSOBZPONJGAKT-CQSZACIVSA-N	315.352	1.723	50	20	DDGD	
CNC(=O)[C@@H]1CN(CCO[Si](C)(C)C(C)(C)C)CCO1	365985420	COWCPXPBTIXNLU-LBPRGKRZSA-N	302.491	1.455	50	20	DDGD	
C[C@@H]1c2nncn2CCN1C(=O)[C@H](Br)C(C)(C)C	276897411	NIZIYIQJCFCMKF-BDAKNGLRSA-N	315.215	1.991	50	20	DDGD	
CC(C)=CCCNC(=O)NNC(=O)COc1ccc(F)cc1	276927125	YOGPQXJJLRSZSS-UHFFFAOYSA-N	309.341	1.891	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)C2CC2)c(N(C)C)c1	276838465	XXPBPZPSDTXCRL-UHFFFAOYSA-N	320.349	1.102	50	20	DDGD	
NC(=O)[C@H]1CN(Cc2ccc(OCCCCl)cc2)CCO1	368540952	WDVNHQABIWJZSO-CQSZACIVSA-N	312.797	1.380	50	20	DDGD	
NNC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1	272639175	OBKOBNSQKNKMST-LLVKDONJSA-N	304.177	1.357	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@@H](NC(=O)NNC(=O)c2ccccc2O)C1(C)C	271962354	ZKTMYGBDHAOZTB-OASPWFOLSA-N	321.377	1.396	50	20	DDGD	
CC(C)Cn1ncc(C(=O)NNC(=O)NC2CC2)c1C1CC1	271184792	YSRSTUYGCNKKKH-UHFFFAOYSA-N	305.382	1.523	50	20	DDGD	
Cc1ccnc(-n2nccc2NC(=O)NNC(=O)CC(C)C)c1	276398073	GARYCOQLVYWUNQ-UHFFFAOYSA-N	316.365	1.775	50	20	DDGD	
CC#CCNC(=O)NNC(=O)c1ccc(OCC)c(OC)c1	270735170	SEYYYVZICCHTTN-UHFFFAOYSA-N	305.334	1.061	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCC[C@@H]2CCCCO2)n1	272452921	BNCZMQVUJROIMV-NSHDSACASA-N	309.370	1.379	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NO[C@@H]1CCCCO1	275097209	JELWTBGOPUKHNP-GFCCVEGCSA-N	308.338	1.789	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NNc1nc(-c2cccnc2)no1	280465981	HTOCNLYPOBBZJH-NXEZZACHSA-N	315.333	1.580	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CCCCC(=O)OC)n1	282746968	ZUHVICQVGJHKCP-UHFFFAOYSA-N	323.397	1.499	50	20	DDGD	
C[C@@H]1COCC[C@H]1CNC(=O)NNc1ncnc2ccsc12	287050541	UHTGTHUNXDGNGJ-ZJUUUORDSA-N	321.406	1.990	50	20	DDGD	
CC(C)[C@@H](O)C(=O)NNC(=O)c1c(Cl)cccc1Cl	285176796	BLCDYIWQEYNTQG-SNVBAGLBSA-N	305.161	1.771	50	20	DDGD	
CN1C(=O)C[C@@H](C(=O)NNc2cccc(F)n2)c2ccccc21	376237722	XYCRXPAYOJHTLD-LLVKDONJSA-N	314.320	1.814	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H](CC)c1ccc(OC)cc1	281171137	IWNAUGFVSJWXIT-ZDUSSCGKSA-N	307.419	1.870	50	20	DDGD	
COCC(C)(C)CCCNC(=O)NNC(=O)Cc1ccncc1	286833218	DLDAHPWIOQPOIU-UHFFFAOYSA-N	322.409	1.407	50	20	DDGD	
CC(C)(C(=O)NNc1ccnc(F)c1)S(=O)(=O)C1CC1	285850592	QAWFPPKINJPNCU-UHFFFAOYSA-N	301.343	1.020	50	20	DDGD	
CCCNC(=O)CCC(=O)NNc1ccc([N+](=O)[O-])cc1C	288650824	LLWIXUZPIFNZLH-UHFFFAOYSA-N	308.338	1.653	50	20	DDGD	
O=C(CCOc1ccccc1F)NNC(=O)[C@H]1CCCCO1	295569293	AZZQNRIPNWXUBB-CYBMUJFWSA-N	310.325	1.311	50	20	DDGD	
Cc1cccc(F)c1NC(=O)C(=O)NNc1ncccc1F	807300391	BIEVZTPKMOGHCH-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C(=O)c1cccn1C)c1ccccc1	806832812	SFZDTMJHOGFAKK-ZDUSSCGKSA-N	313.357	1.549	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NNc1cccnn1	295990321	XARISLZSWFHZPP-NSHDSACASA-N	323.397	1.955	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1c[nH]cc1-c1ccccc1F	294593346	IMXJWOZXYKLZJF-AWEZNQCLSA-N	317.320	1.761	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)[C@@H]2CCCO2)c1F	292237851	WKNASDZZUFYQNX-LBPRGKRZSA-N	310.325	1.093	50	20	DDGD	
CCCN(CC)C[C@@H](C)NC(=O)NNc1cccc(OC)n1	290939444	LQJSFEFCQIGWCH-GFCCVEGCSA-N	309.414	1.837	50	20	DDGD	
Cc1nnc(CCNC(=O)/C(C#N)=C\c2ccc(O)cc2)n1C	803175050	WMBCXWPYILNMPB-LCYFTJDESA-N	311.345	1.095	50	20	DDGD	
Cc1cc(C)nc(C(=O)NNC(=O)Cc2ccc(F)cc2)c1	801082324	OYOGRDHBBZCCDH-UHFFFAOYSA-N	301.321	1.841	50	20	DDGD	
Cn1nnc2c(C(=O)NNc3ccc(Cl)cc3)ccnc21	801635860	CZNUCISIXCCXDS-UHFFFAOYSA-N	302.725	1.774	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H](C)Cn2cccn2)cc1	298693789	FNGNLYXUFNAEHS-GFCCVEGCSA-N	315.377	1.478	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)CNc1ccc(C)cc1)C1CC1	292715654	TTWOBSPNPLTVAC-MRXNPFEDSA-N	305.378	1.369	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1ccsc1Br	801065437	QDFRAZNHCBSXBX-UHFFFAOYSA-N	320.212	1.997	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)C1CCN(C2CC2)CC1	802537288	RMNCSESRCKZBDX-UHFFFAOYSA-N	311.389	1.947	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)Cc1ccc(Cl)cc1)C1CC1	812452440	TXLUULIIPCQLPQ-HNNXBMFYSA-N	310.781	1.845	50	20	DDGD	
CC(Cn1cccn1)=NNC(=O)[C@@H](C)Oc1ccc(F)cc1	814751952	VFLRLTZKNHNGFE-GFCCVEGCSA-N	304.325	1.982	50	20	DDGD	
CN1C(=O)CCc2cc(C=NNC(=O)N=c3cc[nH]cc3)ccc21	815002283	TUIVMXVFSJWZKM-UHFFFAOYSA-N	323.356	1.568	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1csc(N)n1	812381312	YLGRKZIVGMXLIM-LBPRGKRZSA-N	318.358	1.406	50	20	DDGD	
O=C(NCCc1cn[nH]c1)NNC(=O)c1cccc2cccnc12	811871663	TZSKVGYOQGOQKZ-UHFFFAOYSA-N	324.344	1.145	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1cnn(Cc2ccccc2)c1	814956756	CLQVRZUFNBRUCT-UHFFFAOYSA-N	322.372	1.737	50	20	DDGD	
O=C(NCCc1ccccc1[N+](=O)[O-])NNc1ncncc1F	814305663	GNXJUSNPNPLXAG-UHFFFAOYSA-N	320.284	1.393	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1cn(-c2ccccc2)nn1	814819412	JREUDBLJTKQBFR-UHFFFAOYSA-N	316.365	1.327	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CCCSC2)cc1	813576727	YXNOBOHPHQOKGT-SNVBAGLBSA-N	309.391	1.991	50	20	DDGD	
O=C(NNc1ncccn1)C1CCN([C@H]2CCSC2)CC1	816849141	RWPDFDYFGSEJRE-LBPRGKRZSA-N	307.423	1.137	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)c2nc(C)oc2C)c1	814313088	NNKJSXACKUDXNZ-UHFFFAOYSA-N	314.370	1.904	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2ncncc2F)ccc1F	815764854	XEFPGGXYUJABAA-UHFFFAOYSA-N	321.287	1.399	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cn(C)nc1C(F)F	812224281	IRPXOMNPSBKYDE-UHFFFAOYSA-N	314.321	1.469	50	20	DDGD	
Cc1cc(C(N)=O)ccc1NC(=O)NNC(=O)CC(C)(C)C	728745771	LJBQFQLACZJEBQ-UHFFFAOYSA-N	306.366	1.683	50	20	DDGD	
O=C(CCC1CCCC1)NCC(=O)NNC(=O)C1CCCC1	726525885	JSLWMENKGNEMDC-UHFFFAOYSA-N	309.410	1.411	50	20	DDGD	
CCC[C@H](C)C=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	825233207	OHSAAPULWLDQEF-NSHDSACASA-N	316.365	1.784	50	20	DDGD	
COC(=O)N1CCC(=NNC(=O)Cc2nc(C)cs2)CC1	490692491	UJWMOMBHWDRPGO-UHFFFAOYSA-N	310.379	1.328	50	20	DDGD	
CC[C@H](CN1CCCC1)NC(=O)/C(C#N)=C/c1cnn(C)c1	825988290	WKUSSAJIHHFXGF-UJMHRVFCSA-N	301.394	1.318	50	20	DDGD	
C[C@H]1CC(=NNC(=O)CCNC(=O)OC(C)(C)C)CN1C1CC1	495193460	WHDLFTMXLWTKNC-NSHDSACASA-N	324.425	1.630	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1ncccc1C(F)(F)F	491625289	SBUMJPITBQNBPP-UHFFFAOYSA-N	320.271	1.680	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)Cc2cccnc2)o1	728950040	YUCXTIMIFGVMBW-UHFFFAOYSA-N	302.334	1.099	50	20	DDGD	
CO[C@@H](Cc1ccccc1)C(=O)NNc1ccnc(N(C)C)n1	825987077	DYOSXGMJGFLRCP-ZDUSSCGKSA-N	315.377	1.243	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCCN(C=O)CC1	491013567	UNXXBTOUCZXAJN-UVTDQMKNSA-N	301.321	1.423	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)C(C)(C)C)c1cccc(OC)c1	821232543	ZULVKVOHJFMEDS-ZDUSSCGKSA-N	323.393	1.759	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)nc1C	827945675	ZGZCTVHWCMNIKH-GRYCIOLGSA-N	318.377	1.841	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC1CCC(F)(F)CC1	826802828	MYAXRPJWGMICEZ-WCBMZHEXSA-N	305.325	1.320	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1cc(F)ccc1F	494622930	CROBMBKABPITBC-UHFFFAOYSA-N	313.304	1.940	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)c2ccc(F)cc21)c1ccc[nH]1	725854455	IOLQRBHSVNHPKY-UHFFFAOYSA-N	321.333	1.465	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1ccc(C(=O)C(C)C)cc1	495871534	WZPBDSLLXUKOEM-UHFFFAOYSA-N	314.363	1.417	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(N(C)C)c2ccccc2n1	823927882	IDDIYDBWVKNEMZ-LLVKDONJSA-N	302.378	1.258	50	20	DDGD	
CC(=NNC(=O)NCCNC(=O)OC(C)(C)C)c1ccc[nH]1	491549197	KQHNVYJDAGBQKI-UHFFFAOYSA-N	309.370	1.563	50	20	DDGD	
CC1(C(=O)NNc2nc(-c3ccncc3)no2)CCOCC1	728070783	HZIYMENXMDDQTF-UHFFFAOYSA-N	303.322	1.391	50	20	DDGD	
C[C@H](COCc1ccccc1)NCc1ccc(B(O)O)cc1F	585026670	JMRROIOAMXICRN-CYBMUJFWSA-N	317.169	1.200	50	20	DDGD	
CSc1ccc([C@H](C)NCC(=O)NNC(=O)C(C)C)cc1	829449223	QXLMSXZCYNJWFH-NSHDSACASA-N	309.435	1.863	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(Cc1ccc(F)cc1)CC1CC1	827834811	ZNMILPKEAZNAME-UHFFFAOYSA-N	321.396	1.841	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)NCCc2cccs2)nn1C	820168523	CDRCNMGWXWONPV-UHFFFAOYSA-N	323.447	1.142	50	20	DDGD	
Cc1cc(C)cc(N2CC[C@@H](C(=O)NN(C)[C@H](C)CO)C2=O)c1	823964995	HEADNMVTZLJCMQ-HIFRSBDPSA-N	319.405	1.000	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc2c(c1)CCCO2	901196160	MRPGGJSUSGDFRF-UHFFFAOYSA-N	317.389	1.767	50	20	DDGD	
COCCn1nc(C(=O)NNc2cccc(Cl)c2)ccc1=O	732679377	WQAKZXNZXYYCKL-UHFFFAOYSA-N	322.752	1.300	50	20	DDGD	
C[C@]1(C(=O)NCC(=O)NC2CCCC2)C[C@H]1Br	906451760	DTFITVLPGDHAAH-SKDRFNHKSA-N	303.200	1.335	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)CNc1ccccc1OC	491776478	WBVYCLLKWDHPKH-UHFFFAOYSA-N	311.345	1.087	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)cc1F)[C@@H]1COc2ccccc21	585029022	AYFGIADDQDLHFW-NHYWBVRUSA-N	315.153	1.160	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)n(C)c1=O	907268996	BPJLKTWWHZJQHE-UHFFFAOYSA-N	302.378	1.778	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)CC2(O)CCC2)cc1	824131067	NBYVKWJVSPOKHW-UHFFFAOYSA-N	323.418	1.708	50	20	DDGD	
C[C@]1(C(=O)N2CC(=O)N(CC3CC3)C2)C[C@H]1Br	907846937	DWUMRHAOKZLMDL-SKDRFNHKSA-N	301.184	1.198	50	20	DDGD	
O=C(/C=C\C(=O)Nc1ccc2n[nH]cc2c1)NNc1ccccn1	492850400	FVTCHKDAZMLSGR-SREVYHEPSA-N	322.328	1.596	50	20	DDGD	
C[C@@H](CNC(=O)/C(C#N)=C\c1ccc(F)cc1)c1nncn1C	491160936	MPTSWHWKMOPKMR-HKMIMPICSA-N	313.336	1.781	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NN=CC[C@@H]1CCOC1	494044361	PCQOSUJKSNLSMG-GFCCVEGCSA-N	313.398	1.820	50	20	DDGD	
COc1ccc2c(c1)C[C@H](C)CC2=NNC(=O)C[N+](C)(C)C	905419917	UNVLKLHURKEZJU-LBPRGKRZSA-O	304.414	1.804	50	20	DDGD	
CN(C)CCc1ccc(NCc2ccc(B(O)O)cc2F)cc1	585013384	SWVDXIBGMOUIBL-UHFFFAOYSA-N	316.185	1.222	50	20	DDGD	
CS[C@@H]1CCC[C@H](NC(=O)NNC(=O)[C@H]2CCCCO2)C1	838480764	CNMKVRVKTKNPTP-QJPTWQEYSA-N	315.439	1.560	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N(CC1CC1)C1CCCCC1	584938500	AEESLYSCSRIYNY-UHFFFAOYSA-N	301.195	1.551	50	20	DDGD	
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NNc1cccc(C(=O)O)c1	833627433	SARSKCQUFYSKAV-QMTHXVAHSA-N	318.377	1.494	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CC[C@H](OC)[C@H](C)C1	836291626	FZIYFTAUJAAJCL-YPMHNXCESA-N	321.377	1.406	50	20	DDGD	
Cc1ccc(CN(C)[C@@H](C)C(=O)NNC(=O)CC(C)C)nc1	831058986	PBRVZVDTJLJENX-ZDUSSCGKSA-N	306.410	1.404	50	20	DDGD	
C[C@@H](c1cccnc1)N(C(=O)c1ccc(B(O)O)cc1)C1CC1	584939736	MNVHDOYKSWLEAG-LBPRGKRZSA-N	310.162	1.127	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C2C[C@@H](C)n3ccnc32)c1	834926874	XGTZWPGCEVNBJV-SNVBAGLBSA-N	314.345	1.999	50	20	DDGD	
CC[C@H](C(=O)NN=C1CCN(C(N)=O)CC1)c1ccccc1	731931545	KHFAGBSYJZKDFE-AWEZNQCLSA-N	302.378	1.827	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@@]1(Cl)C[C@H]2CC[C@H]1O2	907602419	IXDGNPRTYAGNHL-AZTOOPQRSA-N	303.149	1.502	50	20	DDGD	
CCn1cc([C@@H](C)NC(=O)NNC(=O)c2ccccc2C)cn1	836192400	NGCJFOVSOHFRQY-GFCCVEGCSA-N	315.377	1.917	50	20	DDGD	
Cc1cccnc1[C@H](NCc1ccc(B(O)O)cc1F)C(C)C	585029304	QKMKTMUAVRBNPS-MRXNPFEDSA-N	316.185	1.696	50	20	DDGD	
C[C@H](NC(=O)c1cccc(B(O)O)c1)[C@H]1CCCc2ccccc21	584981023	RDWXSFQTZXPRNB-SUMWQHHRSA-N	323.201	1.605	50	20	DDGD	
CC(C)N1CCN(CCC(=O)NNc2ccnc(F)c2)CC1	907276367	JPDGBQUOLXYQAF-UHFFFAOYSA-N	309.389	1.080	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCC[C@@H]1CC1CCCCC1	584937174	RNPUQXGDRZKKMD-QGZVFWFLSA-N	315.222	1.941	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)Cc1ncc(C)c(OC)c1C	831048228	JTZNGXRMRQQVNK-LBPRGKRZSA-N	322.409	1.085	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1cnnc2ccccc12)C(C)C	733808940	OKXDJDDEAZQYQC-CQSZACIVSA-N	301.350	1.234	50	20	DDGD	
C[C@@H](NC(=O)CC1CCCCC1)C(=O)NNC(=O)C1CCC1	732145100	OYLQTEKMQVYTQW-LLVKDONJSA-N	309.410	1.409	50	20	DDGD	
CN(C)CC1CCN(C(=O)[C@@]2(C)C[C@@H]2Br)CC1	906672996	ANJRSFOPCBONHR-AAEUAGOBSA-N	303.244	1.960	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNC(=O)c1c[nH]c2ccccc12	731865838	TYRCCKVIUOTXQG-AWEZNQCLSA-N	300.362	1.413	50	20	DDGD	
Cc1ccc(C[C@@H](C)NC(=O)c2ccc(B(O)O)c(F)c2)s1	584948324	GBOUSOOWEWYKKD-SECBINFHSA-N	321.182	1.236	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CSCC(=O)O)c1ccccc1	739215222	VZDGMIMUOHMZHD-LLVKDONJSA-N	310.375	1.145	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C	831853736	GAOMSRZYBCCHRY-JTQLQIEISA-N	315.414	1.683	50	20	DDGD	
Cc1ccccc1[C@@H]1CCCN1C(=O)c1cccc(B(O)O)c1	584932774	RAEMRCAFLIDPLU-KRWDZBQOSA-N	309.174	1.652	50	20	DDGD	
CC[C@@H](C)OC(=O)/C(C#N)=C/c1cc(-c2nn[nH]n2)n(C)c1C	736323301	DFJVASOEXSIACB-TZZQWBKVSA-N	314.349	1.762	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNC(=O)c1ccccc1OC	838775835	MPYYERBIZXQNJO-NEPJUHHUSA-N	307.350	1.207	50	20	DDGD	
COc1cc(CCNCc2ccc(B(O)O)cc2F)ccc1C	585025213	OLSJFKIMSUZDSD-UHFFFAOYSA-N	317.169	1.155	50	20	DDGD	
CC1(C)CC(=NNC(=O)NCC(=O)O)c2ccc(F)cc2O1	833555312	JSGBVJQHWFARRV-UHFFFAOYSA-N	309.297	1.475	50	20	DDGD	
C[C@H](NS(=O)(=O)CCl)C(=O)N1c2ccccc2C[C@H]1C	832545356	SRGISRYKKPAUCV-ZJUUUORDSA-N	316.810	1.468	50	20	DDGD	
Cc1nn(C)c(S(=O)(=O)NCCCSC#N)c1C(F)F	916999873	OTVSGTGQZYWORS-UHFFFAOYSA-N	324.378	1.549	50	20	DDGD	
CC(C)Cn1cc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cn1	831505611	DTLOULHMQXRTAR-JQWIXIFHSA-N	309.370	1.117	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@H](C)C[C@@H](C)N)cc1F	831224085	WEWIMFPELNRCEA-RKDXNWHRSA-N	312.345	1.364	50	20	DDGD	
C[C@@H]1CC[C@H](CNC(=O)NNC(=O)c2cccc(N(C)C)c2)O1	838743007	SMEFADJGDAZEOX-BXUZGUMPSA-N	320.393	1.264	50	20	DDGD	
Cn1c2c(ccc1=O)C(=NNC(=O)[C@H]1CCCCO1)CCC2	834984818	FXSHYNLGGGSLNI-CQSZACIVSA-N	303.362	1.111	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)CCc1ccccc1)c1ccn(C)n1	838774940	ZSZQCNJJHOHLDI-GFCCVEGCSA-N	315.377	1.444	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2ccc(Cl)nc2)ccn1	748788584	SNNBPEGXXMCIJH-UHFFFAOYSA-N	303.753	1.960	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2cnc3cnccn23)cc1	746371135	SRSCKKHPNUXGMK-UHFFFAOYSA-N	309.329	1.567	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1cccc(Br)c1	746220745	TYZWHYPSNMCOLV-UHFFFAOYSA-N	314.183	1.936	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C/C=C\c1ccccc1	916363091	QIIMIOONMIZPDU-OCJMLQKTSA-N	301.390	1.770	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cc1coc2cc(F)ccc12	843654792	SHKUWTQQLCXMMC-JOYOIKCWSA-N	320.320	1.687	50	20	DDGD	
O=C(CCN1CCOCC1)NNc1ccc(C(F)(F)F)cc1	747609430	SWQMTVUPEIMNEQ-UHFFFAOYSA-N	317.311	1.871	50	20	DDGD	
CC1(C)CCC(CNC(=O)NNC(=O)c2ncccn2)CC1	841583541	WTFOLHHWNYHGQW-UHFFFAOYSA-N	305.382	1.637	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)N[C@H](C)CCN)c(Cl)c1	841968325	WTZSAFGTHSHLOY-SECBINFHSA-N	313.789	1.721	50	20	DDGD	
COc1cccc(OC)c1C(=O)NNC(=O)c1cccn1C	849193824	LBGLIFWBMLPIOA-UHFFFAOYSA-N	303.318	1.117	50	20	DDGD	
COc1cc(C=NNC(=O)CN2CCCC2=O)ccc1SC	746488839	MEJGSQUUGLPFPM-UHFFFAOYSA-N	321.402	1.490	50	20	DDGD	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NN(C)C[C@H](C)O	910174208	SIRSQOLMORPVDK-CBBWQLFWSA-N	300.443	1.808	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2C(N)=O)C1	912578708	DWJIHFISWWLPOD-SDDRHHMPSA-N	312.486	1.731	50	20	DDGD	
Cc1ccncc1C(=O)NNC(=O)COc1ccccc1F	742034226	WGLVFYAYBLUCKN-UHFFFAOYSA-N	303.293	1.369	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H]1CCN(C)[C@@H](C)C1	745858227	NVRZCXNQIBUMRT-RYUDHWBXSA-N	320.393	1.122	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1C[C@H]1c1cccc(F)c1F	843650930	ITNIWHFPPGEOIH-QSFUFRPTSA-N	324.327	1.641	50	20	DDGD	
CC1=C(C(=O)NNc2cc(Cl)nc(C)n2)C(=O)OC1(C)C	748335582	PBZIGPRHHFFIHA-UHFFFAOYSA-N	310.741	1.533	50	20	DDGD	
C[C@H](Oc1cccc(C=NNC(=O)CC(F)(F)F)c1)C(=O)O	746679489	IAIDXEHCRAWAAH-QMMMGPOBSA-N	318.251	1.941	50	20	DDGD	
N#CC1=CCN(C(=O)Cn2nnnc2-c2ccsc2)CC1	843844113	NZUMBBDDAWCMRR-UHFFFAOYSA-N	300.347	1.084	50	20	DDGD	
CN(CC(=O)NNc1cccc(C(F)(F)F)n1)C(=O)C1CC1	740140272	TYFXBNZKRPTPFR-UHFFFAOYSA-N	316.283	1.412	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=C1CCOc2c(F)ccc(F)c21	842560350	GBCUWGWTJWYZML-DTWKUNHWSA-N	310.300	1.993	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1c(CO)noc1C)c1ccccc1	847482597	XSZYLEXMYGYMJO-LBPRGKRZSA-N	317.345	1.430	50	20	DDGD	
CC[C@H](N)CNC(=O)NNC(=O)c1ccc(Cl)cc1Cl	842006276	LIIQHGZORJLOBS-QMMMGPOBSA-N	319.192	1.675	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H]2CCN(CC3CC3)C2)c1	858234510	BKUZQSCPDBALKO-LBPRGKRZSA-N	322.434	1.485	50	20	DDGD	
CN(CC(C)(C)CN)C(=O)NC[C@]1(C)C[C@H]1Br	857105367	KGZWCVOQENOBMJ-SKDRFNHKSA-N	306.248	1.786	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCOc2cc(F)ccc2C1	858208335	ZJCGBLIMTMGTDG-UHFFFAOYSA-N	309.341	1.807	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cn2cc(C)cn2)c1C	855627127	HOLHJYGRAHIJHP-UHFFFAOYSA-N	302.334	1.430	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H](C)Sc1ccccn1)C1CC1	855098005	CPZDEWRVJVRCTR-VHSXEESVSA-N	324.475	1.856	50	20	DDGD	
O=C(NN=Cc1cc2c(cc1O)OCO2)c1ccc(Cl)nc1	920375428	SSOPDYHEACSDCJ-UHFFFAOYSA-N	319.704	1.933	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)cc1F	853370119	ZYFSSDVCBYVYCS-SUZMYJTESA-N	306.293	1.542	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2nc3cnccc3s2)n1	857459758	RPZNGRVQNOGZMM-UHFFFAOYSA-N	316.346	1.555	50	20	DDGD	
CN1C(=O)CC[C@H]1C(=O)NNc1ccccc1Br	752627231	UWKBGRFYLZQCFY-JTQLQIEISA-N	312.167	1.513	50	20	DDGD	
CO[C@H]1COCC[C@@H]1CNC(=O)NNc1ccc(Cl)cn1	852369799	HODABIPBTKOHPP-KOLCDFICSA-N	314.773	1.413	50	20	DDGD	
COCC1(C(=O)NC[C@@]2(C)C[C@H]2Br)CCNCC1	857007980	ZBSMRPQMMSOCOW-ZYHUDNBSSA-N	319.243	1.292	50	20	DDGD	
C[C@H](C[S@](C)=O)NC(=O)NC[C@]1(C)C[C@H]1Br	856850776	ZYBXKWFWGCYFQM-ODBOWNMKSA-N	311.245	1.226	50	20	DDGD	
C[C@H]1COC[C@H]1NC(=O)NNC(=O)c1ccc2ccccc2n1	925987515	JXKKUQSZFPOOFV-IINYFYTJSA-N	314.345	1.214	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)COc2cccc(C)c2)co1	753980703	APAITXNMYFBQFK-UHFFFAOYSA-N	303.318	1.385	50	20	DDGD	
CCC/C=C\C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	920406284	JSQNGKRYYZEYEY-FPLPWBNLSA-N	322.361	1.830	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccnc(C2CC2)n1)C1CC1	855101728	YABRCGZPIRZPGH-QMMMGPOBSA-N	305.407	1.261	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc2nc(O)n(C(C)C)c2c1	854163202	MLJIMNWNLWYXQP-UHFFFAOYSA-N	306.322	1.714	50	20	DDGD	
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NNc1ccc(Cl)nc1	757796823	UMZIAMOQKSGGDW-SKDRFNHKSA-N	309.801	1.844	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1snnc1C1CC1)C1CC1	855097154	KOSRCDHCIJIZDX-LURJTMIESA-N	311.436	1.323	50	20	DDGD	
C[C@]1(CNC(=O)c2ccc(C(N)=O)cn2)C[C@H]1Br	857403838	VBJXYYVAFFJKIS-BXKDBHETSA-N	312.167	1.084	50	20	DDGD	
CC(C)[C@H](NC(=O)NNC(=O)[C@@H]1CCCCO1)c1cnn(C)c1	927418926	GHMDPWUYNKLJMV-STQMWFEESA-N	323.397	1.017	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)c1cccc(Cl)n1	857324338	FQLPMPAJVNNYEH-DJLDLDEBSA-N	307.737	1.111	50	20	DDGD	
CC(=O)N1CCC(=NNC(=O)[C@@H]2CCO[C@@H]2C)c2ccccc21	857211003	KSVFOQGJXJKOTI-DGCLKSJQSA-N	315.373	1.689	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC([C@H](O)c2ccnn2C)CC1	857734607	PXMRLJZLHLLPIS-FQNOHDAGSA-N	318.377	1.136	50	20	DDGD	
Cc1ccc(C(=O)NN=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)o1	752173313	YILQGTZGSDLILQ-UHFFFAOYSA-N	314.257	1.582	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1cnn(C2CCC2)c1	934312404	FCOLKWAJXMWVMX-LBPRGKRZSA-N	307.354	1.330	50	20	DDGD	
CN(C)C(=O)CCCC(=O)NC[C@]1(C)C[C@H]1Br	857733225	IBJJVJUTVMKUFR-SKDRFNHKSA-N	305.216	1.535	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccnc(N2CCC[C@H](C)C2)c1	854920676	HAUXCUVSUNDKMZ-NSHDSACASA-N	321.450	1.399	50	20	DDGD	
CN(CCC(=O)N1CCOCC1)NC(=O)OCc1ccccc1	859388349	PSJPMHZTUILTPV-UHFFFAOYSA-N	321.377	1.009	50	20	DDGD	
CC(C)(C)OC(=O)[C@]1(C(=O)NNc2ccncn2)CC1(C)C	854748083	WEMXFFLTFRMLGH-OAHLLOKOSA-N	306.366	1.678	50	20	DDGD	
CC(=O)NCc1ccc(NC(=O)NNC(=O)c2ccc[nH]2)cc1	756551501	CKTDHFODVZRBPX-UHFFFAOYSA-N	315.333	1.117	50	20	DDGD	
C=CCC(CC=C)C(=O)OCC(=O)NNC(=O)c1ccccc1	759010079	IQKOCZCBEGZBIA-UHFFFAOYSA-N	316.357	1.759	50	20	DDGD	
CNC(=O)C(C)(C)CNC(=O)NC[C@@]1(C)C[C@H]1Br	856841913	BMVKZMLCMLWAGC-PRHODGIISA-N	320.231	1.231	50	20	DDGD	
C[C@H](CNC(=O)[C@H](Br)C(C)(C)C)S(C)(=O)=O	768316048	AEGMHVUWFGBJQS-SFYZADRCSA-N	314.245	1.345	50	20	DDGD	
N#Cc1ccc2c(c1)CCCCC2=NNC(=O)[C@H]1CCC(=O)N1	863153640	XYLWQXITWGCVDG-OAHLLOKOSA-N	310.357	1.384	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)C(=O)Nc2ccsc2)c1	764242638	WRQBECIDHCSBER-UHFFFAOYSA-N	314.326	1.019	50	20	DDGD	
Cc1cccc(CN2CC[C@@H](NS(=O)(=O)CCl)C2)c1	867651531	ZOFOMQUUQRLDBV-CYBMUJFWSA-N	302.827	1.685	50	20	DDGD	
CC(=O)NNC(=O)[C@H]1[C@H]2c3cc(Br)ccc3C[C@H]21	864427737	VEQPWEKXKFNCHQ-GRYCIOLGSA-N	309.163	1.502	50	20	DDGD	
C[C@@H](NNC(=O)[C@]1(C)Cc2ccccc2C(=O)O1)C(F)(F)F	862307476	YASYTUNNDPYCPM-OQPBUACISA-N	316.279	1.730	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCN(C)c2cc(Cl)ccc21	860195324	OHHIEPPUMHBINT-UHFFFAOYSA-N	324.812	1.400	50	20	DDGD	
COC(=O)c1coc(C(C)=NNC(=O)c2sc(N)nc2C)c1	766434581	NHPSSLDSECNCIU-UHFFFAOYSA-N	322.346	1.567	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C=NNC(=O)c2cccn2C)c1C	863078069	PCXHCFLMDMQUSW-UHFFFAOYSA-N	316.361	1.911	50	20	DDGD	
C[C@](NC(=O)NNC(=O)c1cccnc1)(C1CC1)C(F)(F)F	933580101	RIDCLBOFAWTISW-LBPRGKRZSA-N	316.283	1.757	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2ccc(OC(F)(F)F)cc2)CN1	761584706	KZTMOHYTJAJNED-MRVPVSSYSA-N	317.267	1.555	50	20	DDGD	
Cc1ccn2ncc(C(=O)NNC(=O)c3ccc(C#N)cc3)c2c1	766847654	DYNLABAHCAREIB-UHFFFAOYSA-N	319.324	1.589	50	20	DDGD	
CCc1[nH]c(C(=O)NN[C@@H](C)C(F)(F)F)c(C)c1C(=O)OC	862305094	JUAYGBMGEUSQAE-ZETCQYMHSA-N	321.299	1.857	50	20	DDGD	
O=C1N[C@@H](C(=O)NNc2ncc(Cl)cc2Cl)CCO1	860937156	VOWGAGHOQLCVKH-SSDOTTSWSA-N	305.121	1.330	50	20	DDGD	
CC1(C)CC[C@H](NC(=O)NNC(=O)COc2ccccc2O)C1	768765925	WFCPESXQZITOQX-NSHDSACASA-N	321.377	1.680	50	20	DDGD	
O=C(C[C@H]1COC(=O)C1)NNc1nc2ccccc2[nH]c1=S	862293862	RLKFZLLWHGEOSF-MRVPVSSYSA-N	318.358	1.689	50	20	DDGD	
O=C(NN=C1CCN2CCC[C@@H]12)c1cc([N+](=O)[O-])ccc1O	765576169	JDJAMQOPOKSOOP-LBPRGKRZSA-N	304.306	1.254	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc[nH]1	862508629	UUOPIACXLBVTNF-HNNXBMFYSA-N	324.384	1.304	50	20	DDGD	
O=C(/C=C/CN1CCOCC1)NNc1ccc(Cl)c(F)c1	866880520	RLZIAQZLLCCEAG-OWOJBTEDSA-N	313.760	1.811	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CCC(C)CC1	862460423	GILIQOBEKRHHMS-TYUFSLCMSA-N	309.410	1.265	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)CN(C)C2CCC2)c1	863852028	XWZORIFSRDMXFQ-UHFFFAOYSA-N	319.405	1.314	50	20	DDGD	
CCCOc1cccnc1C(=O)NNC(=O)c1ccccc1O	760789067	WUZCQGISKVISIF-UHFFFAOYSA-N	315.329	1.651	50	20	DDGD	
CN(NC(=O)C1(O)Cc2ccccc2C1)C(=O)OC(C)(C)C	1117862539	QEGMSDDXMSIZIA-UHFFFAOYSA-N	306.362	1.414	50	20	DDGD	
COCCOc1ccc(NC(=O)NN(C)CCOC)cc1F	878438646	DUSMMJBZZCPOAF-UHFFFAOYSA-N	315.345	1.466	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNC(=O)c1cncn1-c1ccccc1	1117126943	ACYRNFSZNGTMKV-MRXNPFEDSA-N	311.345	1.573	50	20	DDGD	
CNC(=O)NNS(=O)(=O)c1ccc2nc(Cl)sc2c1	772854929	DMRLCQBQCLJUJM-UHFFFAOYSA-N	320.783	1.072	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1cccnc1OC1CCCC1	875061693	GFGSELVZBJYJCM-UHFFFAOYSA-N	322.365	1.815	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccncc2C)cc1C	770211690	HVIWDMIVCFFCNW-UHFFFAOYSA-N	313.357	1.847	50	20	DDGD	
C[C@]1(CNC(=O)CCc2cnc(N)s2)C[C@H]1Br	876983999	BSDLSBCZTLYYIU-LDYMZIIASA-N	318.240	1.948	50	20	DDGD	
Cc1cc(=NNC(=O)NCC[C@]2(O)C[C@H]3CC[C@H]2C3)cc[nH]1	875612982	GCXLEFSQWBRIKD-XEZPLFJOSA-N	304.394	1.379	50	20	DDGD	
CNS(=O)(=O)C[C@@H]1CCCN1C[C@H](C)CBr	770667635	RDOLPHFWBNLMHM-ZJUUUORDSA-N	313.261	1.031	50	20	DDGD	
CO[C@H](CNC(=O)NN=c1cc[nH]c(C)c1)c1ccccc1	875047316	DNHRGZJCCWPHCY-OAHLLOKOSA-N	300.362	1.826	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(Cl)cc1O	771873867	DDBXZZLKWDWYTR-ZETCQYMHSA-N	314.725	1.148	50	20	DDGD	
COc1ccc(OCC(=O)NN=C(C)c2ccnc(C)n2)cc1	1116777630	XCIYELWBPBIJDB-UHFFFAOYSA-N	314.345	1.713	50	20	DDGD	
O=C(CN1CCNCC1)NNc1ccccc1C(F)(F)F	876598880	SKOXSIUOTHYXCZ-UHFFFAOYSA-N	302.300	1.054	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@H]2CCCC(=O)N2)c1	874946773	VUCVCOGCUJMZGJ-SNVBAGLBSA-N	324.381	1.120	50	20	DDGD	
COCCOc1cc(C)ccc1NC(=O)NN(C)CCOC	878345264	OTDQOTLOYHZBKH-UHFFFAOYSA-N	311.382	1.635	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)Cn1cccnc1=O	777476392	CHCJTBJQJRAAQW-UHFFFAOYSA-N	309.329	1.243	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1	875100862	WMDSCFJILUBMAZ-AWEZNQCLSA-N	320.393	1.563	50	20	DDGD	
C[C@@H](CBr)COC(=O)C1(C(=O)NC2CC2)CC1	770364247	CBMQNSFESCRTMX-QMMMGPOBSA-N	304.184	1.619	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(C)nc2OC)n1	777404455	BACBBGPNTKHJMQ-UHFFFAOYSA-N	303.322	1.263	50	20	DDGD	
CC(CCn1cccn1)=NNC(=O)COc1ccccc1F	776759425	OKQPNRBRSHYOMX-UHFFFAOYSA-N	304.325	1.983	50	20	DDGD	
Cc1nn(C)c(NC(=O)NNC(=O)OC(C)(C)C)c1Cl	888647151	ZSSWFRWLCOCXRH-UHFFFAOYSA-N	303.750	1.943	50	20	DDGD	
COc1cc(C=NNC(=O)CNC(=O)c2ccco2)ccc1C	773053051	AWJBPWGYFFYTJB-UHFFFAOYSA-N	315.329	1.477	50	20	DDGD	
CSc1ccc(NC(=O)C(=O)NNc2ccccn2)cn1	784797020	ZLZVYSGBZJKLQG-UHFFFAOYSA-N	303.347	1.280	50	20	DDGD	
CNC(=O)CC1(CNS(=O)(=O)CCCCl)CCCCC1	882415983	JRAPQTKDZUCTDR-UHFFFAOYSA-N	324.874	1.621	50	20	DDGD	
C[C@@]1(COC(=O)CN2CCCCC2=O)C[C@H]1Br	1123141713	MMTXXYGTBZOABI-SKDRFNHKSA-N	304.184	1.716	50	20	DDGD	
COC(=O)Cc1cccc(C(=O)NNc2ncncc2Cl)c1	781833442	JUCAQDKAJOLBOT-UHFFFAOYSA-N	320.736	1.602	50	20	DDGD	
O=S(=O)(CBr)NC[C@@H](CO)Cc1ccccc1	782455427	ISKZYVORSQYKGN-NSHDSACASA-N	322.224	1.109	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCCc2ccc(O)c(F)c2)cn1	787005630	TUOMBCHMSWRCGN-UHFFFAOYSA-N	320.324	1.049	50	20	DDGD	
COc1nc(C)cc(C)c1CNS(=O)(=O)CBr	782434733	NQUNDZOUXFTMHE-UHFFFAOYSA-N	323.212	1.479	50	20	DDGD	
CN(C)CC1(CNC(=O)NNc2ccc(C#N)cn2)CCCC1	888809732	KCZWYPLVRJPOIQ-UHFFFAOYSA-N	316.409	1.701	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1c(Cl)cnn1C	780196010	YWUMIENGMHUGGZ-UHFFFAOYSA-N	322.752	1.611	50	20	DDGD	
CC(C)[C@H]1CCCN(CC(=O)NNC(=O)c2cccs2)C1	781979781	CMZHBGALSFEMFJ-LBPRGKRZSA-N	309.435	1.877	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C(C)C)nc1Br	781932694	GVDKVTVVRRLVNL-UHFFFAOYSA-N	316.155	1.270	50	20	DDGD	
Cn1cnc(CNC(=O)NC[C@]2(C)C[C@H]2Br)c1	895922274	IZALBAXXGYUATM-KOLCDFICSA-N	301.188	1.393	50	20	DDGD	
O=C(NNc1ncc(F)cn1)C(=O)Nc1ccc2c(c1)CCC2	784950504	RMCVPVVUHOJPPX-UHFFFAOYSA-N	315.308	1.186	50	20	DDGD	
CC(C)N1CCC(NC(=O)NNc2ncncc2Cl)CC1	780946543	KDDQKOZPOLKWGY-UHFFFAOYSA-N	312.805	1.629	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCCn1cc([N+](=O)[O-])ccc1=O	786667737	AFNZSLYYYHDADU-YRNVUSSQSA-N	303.274	1.160	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCC(=O)NC(=O)NCc1ccco1	786675244	HQHLVBJNYIHMGD-IZZDOVSWSA-N	317.301	1.009	50	20	DDGD	
CCN(CC)C(=O)CCCC(=O)NNc1ccc(C#N)cn1	899661448	BETNAYLHBGHNFE-UHFFFAOYSA-N	303.366	1.435	50	20	DDGD	
COc1cc(NNC(=O)[C@@H](O)CCSC)ccc1Cl	790180361	RDNCMPGXYGERFV-JTQLQIEISA-N	304.799	1.906	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cccc(N2C(=O)CCC2=O)c1	791224982	YVAWSQGALOMIGI-UHFFFAOYSA-N	324.340	1.800	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccn(-c2cccc(C#N)c2)n1	798988615	HKWBVXNGOGXIOJ-UHFFFAOYSA-N	312.333	1.050	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)c1[nH]nnc1C	790001122	RTRUIYNGBANCGO-UHFFFAOYSA-N	310.155	1.941	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cccs1)Cc1cccs1	727238662	NDGVWLBEXOTKRY-UHFFFAOYSA-N	309.416	1.703	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CSc2cc(C)ccc21	797786407	VBWKTVFFWKXZET-NSHDSACASA-N	308.403	1.973	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2ccccc2N(C)C)n1	797612213	UHGDVNXFOPIWSF-UHFFFAOYSA-N	313.361	1.923	50	20	DDGD	
O=C(NNC(=O)c1cccc(CO)c1)c1cccc(Cl)c1	798272938	MPVOFTSRIHNZPA-UHFFFAOYSA-N	304.733	1.907	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C(C)(C)C(F)F	795861907	YSGWAUKLXWVUCW-MRVPVSSYSA-N	308.325	1.403	50	20	DDGD	
Cc1ccc(-n2cnnc2)c(C(=O)NNC(=O)c2ccncc2)c1	797784213	VRCITCFWFXQBFF-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ncccc1Cl	794243086	FOXHKHSIAHSIPN-UHFFFAOYSA-N	319.748	1.747	50	20	DDGD	
Cc1cccnc1NNC(=O)COCCNC(=O)OC(C)(C)C	791215432	VBNFGNGQCRQTNH-UHFFFAOYSA-N	324.381	1.374	50	20	DDGD	
CCOC(=O)NN=Cc1ccc(N2CCN(C)CC2)c(F)c1	1317893364	HXOISAQMXOEKCB-UHFFFAOYSA-N	308.357	1.658	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cc2cc[nH]c2cn1	1329889077	WSCMIPCCRMKEJL-PSASIEDQSA-N	303.322	1.141	50	20	DDGD	
CCOC(=O)C[C@@H]1CCCN1C(=O)/C(C#N)=C\c1cnn(C)c1	1325180641	FSVWWTWUGIEWOA-LVOZBFFPSA-N	316.361	1.271	50	20	DDGD	
COCCCNC(=O)NN=Cc1nc(-c2ccccc2)c[nH]1	1327494549	DZLWXOFIPUDINW-UHFFFAOYSA-N	301.350	1.746	50	20	DDGD	
NC(=O)C[C@H]1CCCN(C[C@H](CBr)C2CC2)C1	1328756684	SQROTEQCCCXITC-PWSUYJOCSA-N	303.244	1.995	50	20	DDGD	
CCOCc1ccc(NC(=O)C(=O)NNc2ncccn2)cc1	1320386941	PXYOXEZOAHUJNX-UHFFFAOYSA-N	315.333	1.095	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC2CCC1CC2)c1n[nH]c2c1CCCC2	1324883058	DUXBKTDJGHIWCS-GCZXYKMCSA-N	316.405	1.876	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cnn1C1CCCC1	1326674707	GCNCODKICAURGB-WCQYABFASA-N	320.393	1.493	50	20	DDGD	
CC(C)(C=NNC(=O)Cc1ccc(F)cc1)S(C)(=O)=O	1324433103	KAQIJYBVESDDPG-UHFFFAOYSA-N	300.355	1.293	50	20	DDGD	
CCCc1c(C(=O)NNc2ccn(C)n2)[nH]c(C)c1C(C)=O	1256186087	YVBSPVQSDAIAOI-UHFFFAOYSA-N	303.366	1.969	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)N[C@@H]2CCC[C@@H]2CCO)nn1	1338502129	UJTGSZJXOKOBKS-VXGBXAGGSA-N	321.425	1.951	50	20	DDGD	
CC(C)(Oc1ccccc1)C(=O)NNc1ncnc2[nH]cnc12	1339606634	YNFOFLUWMTVKID-UHFFFAOYSA-N	312.333	1.654	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)[C@@H]1CCc2nnc(O)n2C1	1337369643	XPVSIIUPMMPSNZ-SECBINFHSA-N	321.768	1.651	50	20	DDGD	
O=C(NN=Cc1cccc2c[nH]nc12)[C@H]1COc2ccccc2O1	1339432310	CMUBISGKNWHBEY-OAHLLOKOSA-N	322.324	1.853	50	20	DDGD	
O=C(NN=Cc1cccc2c1OC(F)(F)O2)C1CCOCC1	1262038296	GOJDIRXLXQCYQO-UHFFFAOYSA-N	312.272	1.885	50	20	DDGD	
C[C@@]1(CNC(=O)C2(N)Cc3ccccc3C2)C[C@H]1Br	1347941462	VAJMPLLJKTVABE-OCCSQVGLSA-N	323.234	1.772	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)Nc1nn(C)cc1C(=O)O	1600536112	FGEQVZRPNAAMHU-UHFFFAOYSA-N	307.285	1.714	50	20	DDGD	
CCC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccn(C)n1	1603965905	SAHXFBFHRIZNEK-UHFFFAOYSA-N	324.348	1.144	50	20	DDGD	
COc1ccc(NNC(=O)C[C@H](C)CC(=O)O)c([N+](=O)[O-])c1	1607277369	RWLZBVRKTMNUCX-QMMMGPOBSA-N	311.294	1.547	50	20	DDGD	
Cc1cc(NNC(=O)c2cnc(C(=O)O)cn2)ccc1Cl	1600281929	QCUGJOJZGHAESM-UHFFFAOYSA-N	306.709	1.894	50	20	DDGD	
CCOCc1nc(C)cc(NNC(=O)C(CC)(CC)C(=O)O)n1	1603842760	HHYXQORQCPLSEE-UHFFFAOYSA-N	324.381	1.656	50	20	DDGD	
Cc1cnc(CC(=O)NNc2ccc(F)c(C(=O)O)c2)s1	1607905900	IUCOALHITSSEQQ-UHFFFAOYSA-N	309.322	1.975	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2ccc(F)c(C(=O)O)c2)CCO1	1604676137	KFXPIDGABKBFIC-RKDXNWHRSA-N	311.313	1.718	50	20	DDGD	
CCC(CC)(CC(=O)O)N[C@@H](C)C(=O)NNC(=O)CC(C)C	1604992310	SWFZVQVDVVQWRG-NSHDSACASA-N	315.414	1.192	50	20	DDGD	
O=C(CCCCN1CCOCC1)NNc1ccccc1C(=O)O	1610655284	KDBYPVGUEPIEBX-UHFFFAOYSA-N	321.377	1.330	50	20	DDGD	
O=C(NN=Cc1sccc1Cl)[C@H]1CN2CCC[C@@H]2CO1	1549320117	KQILGCJKWXTRAT-MWLCHTKSSA-N	313.810	1.715	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1C[C@@H]1F)C2	1800070099	SASPEZAWDJYUGY-KALVJPODSA-N	316.804	2.000	50	20	DDGD	
C[C@H](C(=O)O)c1ccc(NC(=O)NN=c2cc[nH]cc2)cc1	1589512638	UBSLCBHKVVAERU-JTQLQIEISA-N	300.318	1.840	50	20	DDGD	
CC(=O)N[C@H](CCC(C)C)C(=O)NNc1ncccc1C(=O)O	1588503172	PTGBPGVMJFVKKZ-GFCCVEGCSA-N	322.365	1.164	50	20	DDGD	
NCCNC(=O)NNC(=O)CCc1cccc2ccccc12	1580311114	HBOXEZXWNNPYBG-UHFFFAOYSA-N	300.362	1.062	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)n1cccn1	1589792602	GURDIFMHYKZHCF-JTQLQIEISA-N	312.337	1.158	50	20	DDGD	
C[C@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCO1	1589792435	BCTVUBBPMFLWPR-MFKMUULPSA-N	316.365	1.515	50	20	DDGD	
CC(C)[C@@H](C(=O)O)C(=O)NNc1nc(O)c2ccccc2n1	1588807934	FKYPNYPJDREPFM-SNVBAGLBSA-N	304.306	1.135	50	20	DDGD	
COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)C(C)(C)F)C2	1846361747	MPKBHXIBFYSKFT-SNVBAGLBSA-N	320.792	1.192	50	20	DDGD	
O=C(NNc1ccc(Br)cc1F)[C@]12CNC[C@@H]1C2	1580736888	BEOIPXJVZKRXCR-JVXZTZIISA-N	314.158	1.641	50	20	DDGD	
C[C@@H]1C[C@@]1(C)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843365466	RXZZMKPKMBQLNC-GIPNMCIBSA-N	302.777	1.770	50	20	DDGD	
CCn1[nH]c(C)nc1=NC(=O)NNc1ccc(C(=O)O)cc1F	1597945089	UTLZQQNEBMBYFJ-UHFFFAOYSA-N	322.300	1.014	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)C1(F)CC1)C2	1845167284	RZQWHGOBFLYMSE-SNVBAGLBSA-N	302.777	1.709	50	20	DDGD	
C[C@](O)(C(=O)NNc1cccc(C(=O)O)c1)c1ccc(F)cc1	1593375797	MRRBTHFJERQCKG-MRXNPFEDSA-N	318.304	1.875	50	20	DDGD	
CN(CC(=O)O)C(=O)[C@@]1(c2ccccc2)C[C@@H]1Br	1598403932	YLFYNNAESLSJJN-GXFFZTMASA-N	312.163	1.635	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1ccsc1-c1nn[nH]n1	1593167319	XDNFNMNPJHTKRO-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NNc2ccc(C(=O)O)c(F)c2)C1	1594379577	VAEHHOXANZUMFV-SECBINFHSA-N	323.324	1.226	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)c(Cl)c2)C1	1593388051	GFJJFLBNHRRALR-SSDOTTSWSA-N	320.740	1.332	50	20	DDGD	
CN(C)c1ccc(C(=O)O)cc1C=NNC(=O)c1ccccn1	1776028403	OXEPPUNNYILAEM-UHFFFAOYSA-N	312.329	1.610	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1cc(C(=O)O)nn1C	1776119637	HFQQHUWDAULSED-QRULVBPYSA-N	316.361	1.720	50	20	DDGD	
CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)Br)C2	1795762775	NORBFWLXYAJKAG-BBHBSTQDSA-N	303.200	1.428	50	20	DDGD	
CCn1c(C(=O)NNC(=O)c2cc(C)n[nH]2)cc2ccccc21	151174250	OEYKEVBEBSUGNM-UHFFFAOYSA-N	311.345	1.768	50	20	DDGD	
CC(C)n1cc(NC(=O)C(=O)NNc2ccccc2F)cn1	155554052	LWDXJRKBANZEQM-UHFFFAOYSA-N	305.313	1.685	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(-n3cccn3)ccn2)nc1	159327825	STXLMAYFTTVVSQ-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
C[C@H](CCN1CCN(C)CC1)NC(=O)NN(C)c1ccccc1	274569373	LMBKEXXOSDPLEP-OAHLLOKOSA-N	319.453	1.363	50	20	DDGD	
CC1(C)CCC[C@@H]1C(=O)NNC(=O)[C@H]1COc2ccccc2O1	274593527	IRFZGTVCMNMLCA-BXUZGUMPSA-N	318.373	1.800	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)CCl)CCO1	1324706471	JZZOZCHMGAVBQJ-UWVGGRQHSA-N	306.790	1.366	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)C2CCCC2)cc1	10809297	YFBPQMULRGMQIR-UHFFFAOYSA-N	304.346	1.489	50	20	DDGD	
O=C(C[C@@H]1OCCc2ccccc21)NNc1ncnc2nc[nH]c12	173954177	HZUULNFBSJVBIM-LBPRGKRZSA-N	324.344	1.500	50	20	DDGD	
Cc1ncccc1C(=O)NNC(=O)c1c(C)nc2ccccn12	108255243	GHOPRDYUAKTLGR-UHFFFAOYSA-N	309.329	1.421	50	20	DDGD	
CCc1ccc(OCC(=O)NNC(=O)Cc2cccnc2)cc1	103424716	NYCKOBXBTKFSBJ-UHFFFAOYSA-N	313.357	1.413	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)Cn1nc(C)cc1C)c1ccccc1	56117519	UWROZABWVIFOSY-FMIVXFBMSA-N	312.373	1.751	50	20	DDGD	
CN(C)c1ccccc1NC(=O)C(=O)NNc1cccc(C#N)c1	119493673	ZZULEXIXCGTUBX-UHFFFAOYSA-N	323.356	1.706	50	20	DDGD	
CC(C)N(C)CC(=O)NNC(=O)c1ccc2ccccc2n1	67571272	CRBWTOLENPTYBL-UHFFFAOYSA-N	300.362	1.336	50	20	DDGD	
CC(C)(C)C(=O)NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1	111054565	NCCGGLYFXKQPDU-UHFFFAOYSA-N	306.370	1.364	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cn1	117681363	FKFIGOLIJVTXEA-QWHCGFSZSA-N	302.309	1.124	50	20	DDGD	
Cc1cc(NNC(=O)CCNC(=O)c2ccsc2)ncn1	172279603	JQLZFVDBSDHWQH-UHFFFAOYSA-N	305.363	1.110	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1ccc(F)c(Cl)c1	178100468	DFDQPDJGDKPMGQ-UHFFFAOYSA-N	301.705	1.166	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNC(=O)CSc1ccc(C)cc1	119781517	KZIAPWPCERODEX-OAHLLOKOSA-N	310.419	1.786	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc3nccn3c2)c(O)c1	171804032	GMLIWFSTPBYXOK-UHFFFAOYSA-N	310.313	1.423	50	20	DDGD	
COCCC1(C(=O)NNC(=O)CCc2ccccc2O)CC1	127045559	VWDNGNRLVZDJAZ-UHFFFAOYSA-N	306.362	1.289	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)COC(C)(C)C	181177231	DTOZBEBVCBXGEE-UHFFFAOYSA-N	304.350	1.219	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(C#N)c(Cl)c1)S(C)(=O)=O	182394220	BOQAIBJJVIOCNX-ZETCQYMHSA-N	301.755	1.088	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)Nc2ccc(F)c(C)c2)n1	185514733	HVYKQAHKAKFHDT-UHFFFAOYSA-N	317.324	1.623	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1ccc(OCC)c(C)c1	32586167	ZDFQULWOHUJACF-UHFFFAOYSA-N	302.352	1.333	50	20	DDGD	
CC[C@H](NC(=O)NNc1nccc(OC)n1)c1c(C)noc1C	123591970	QNEHKXYAGXPVQB-JTQLQIEISA-N	320.353	1.867	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)ccn1	183433357	CBDWCEYSNJKEOO-UHFFFAOYSA-N	315.289	1.765	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)c1cccc(N(C)C)c1)C1CC1	127165057	BPWOOIRZWZRMNW-AWEZNQCLSA-N	320.393	1.122	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C(C)(C)CCOC	185123246	PJZINZKQWBNPKJ-UHFFFAOYSA-N	322.405	1.838	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2ccc(F)cc2C)n(C)n1	189195786	BHISMJKRWCPARH-UHFFFAOYSA-N	319.340	1.512	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2O)cc(C#N)n1C	187124697	UAPLSRCIWKADJY-VFGVELGVSA-N	312.373	1.532	50	20	DDGD	
C=CCCOCCNC(=O)NNC(=O)Cc1ccccc1F	127454721	UARHKHIWYNWOCK-UHFFFAOYSA-N	309.341	1.291	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H]2SCCc3ccccc32)n1	79503563	HBAYPOBOEFNDQQ-CYBMUJFWSA-N	316.386	1.959	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)nn1	123695697	FQPUVDMDFHXIII-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
O=C(NCc1ccccn1)NNC(=O)c1cccc([N+](=O)[O-])c1	73117439	DXIBSCRIKLUFFP-UHFFFAOYSA-N	315.289	1.134	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1	181961635	WQCATHWGQGGKPK-UHFFFAOYSA-N	310.741	1.405	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1c[nH]nc1-c1ccccc1Cl	131031332	LIKBLGZFLRTWCB-UHFFFAOYSA-N	321.768	1.053	50	20	DDGD	
CS(=O)(=O)NC[C@@H]1CCCN(/C(=C/C#N)c2ccccc2)C1	79316295	XLPFQIIEZPYANE-FSEGOYHTSA-N	319.430	1.812	50	20	DDGD	
CCc1ccc(C(=O)NNC(=S)NCCSC)s1	180298305	UOMBGYJYPHVYHX-UHFFFAOYSA-N	303.478	1.782	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCc1cccc(F)c1	83179052	TZMCIEBAZDVNKG-UHFFFAOYSA-N	302.309	1.294	50	20	DDGD	
O=C(CSCc1ccccn1)NNC(=O)c1ccncc1	193703852	QHKCWNLUCCCBIZ-UHFFFAOYSA-N	302.359	1.171	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1F)n1cncn1	81030359	JRDIQVNFVUFUCY-SSDOTTSWSA-N	311.704	1.093	50	20	DDGD	
C[C@H](NC(=O)c1ccoc1)C(=O)NNc1cccnc1Cl	85684263	AHODWNQRDSOZIA-QMMMGPOBSA-N	308.725	1.590	50	20	DDGD	
CCc1cccc(CC)c1NC(=O)C(=O)NNc1cccnn1	190364270	IZUGIIPPTSMXFM-UHFFFAOYSA-N	313.361	1.683	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCc2ccc(C#N)cc2)c(O)c1	130075182	BQRZYFWEUNOPET-UHFFFAOYSA-N	323.352	1.966	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)Cc1ccc(C(F)(F)F)cc1	190059125	NBPXFEGOGVSBAT-UHFFFAOYSA-N	304.268	1.166	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)c1ccncc1	193115861	QCARBGMYHOVZMX-UHFFFAOYSA-N	323.356	1.455	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCc2nnc(C(C)C)o2)o1	84373571	QOGAIUGFUJIFKX-UHFFFAOYSA-N	306.322	1.488	50	20	DDGD	
CCN1CCC(NC(=O)NNC(=O)c2ccc(C)s2)CC1	147237820	LNIHDGRNQKZLIR-UHFFFAOYSA-N	310.423	1.485	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	194723433	HISLYYKQNGATCI-UHFFFAOYSA-N	319.314	1.090	50	20	DDGD	
C[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)COc1ccccc1O	264633769	UPQRVSXNYMVMSN-MNOVXSKESA-N	307.350	1.290	50	20	DDGD	
O=C(NNC(=O)c1ccnc(-n2cccn2)c1)NC1CCCC1	265811503	PKEPJNLHBMFZNG-UHFFFAOYSA-N	314.349	1.154	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1	265400119	QFFZEWCKQAQFJQ-NSHDSACASA-N	322.365	1.472	50	20	DDGD	
COc1ccccc1[C@@H](C)CC(=O)NNC(=O)c1ccc[nH]1	264243723	ZPMWJNUVBKMYJY-NSHDSACASA-N	301.346	1.978	50	20	DDGD	
C[C@H](C(=O)NNc1ncnc2nc[nH]c12)N1CCCCCC1	266479849	QADQBIZBJJJTBV-SNVBAGLBSA-N	303.370	1.061	50	20	DDGD	
CC(C)C[C@H](CCO)CNC(=O)NNC(=O)c1ccccc1O	268008091	OQJPUJJSCUAADO-LBPRGKRZSA-N	323.393	1.381	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H]2CCO[C@@H](C)C2)c1	271835648	AECSFWQZIMOSRC-UONOGXRCSA-N	320.389	1.645	50	20	DDGD	
COC(C)(C)CC(=O)NNC(=O)c1ccc2c(c1)OCCO2	278538228	MOGOEPNQHCOHJB-UHFFFAOYSA-N	308.334	1.034	50	20	DDGD	
COc1ccc(C(=O)NNc2nccn(C)c2=O)cc1C1CC1	277876624	VCDBSXCXPIGAOR-UHFFFAOYSA-N	314.345	1.423	50	20	DDGD	
C[C@H]1C[C@@H](CNC(=O)NNC(=O)Cc2ccccc2F)CCO1	271323258	BHXCGZTZYULPBK-RYUDHWBXSA-N	323.368	1.514	50	20	DDGD	
CCOc1cc(C(=O)NNC(=O)NC(C)C)cc(Cl)c1O	273964767	PWLGIXFYGRVCKD-UHFFFAOYSA-N	315.757	1.797	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNc1cccc(C(=O)OC)c1	272800376	JAONEYOTSUMHDS-UHFFFAOYSA-N	321.377	1.613	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1nnc(-c2ccco2)s1	273528217	YOKSYUBBAAFDRH-UHFFFAOYSA-N	309.351	1.997	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc2c(c1)OCCCO2	274099765	OSUNXSOYCOZUQO-UHFFFAOYSA-N	316.317	1.403	50	20	DDGD	
CC[C@@H]1C[C@H]1NC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	280824843	SSAOKMFCGWXUFW-DGCLKSJQSA-N	318.377	1.371	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1O[C@H](C)C[C@H]1C	282298801	WYVKYJAWFWPTRY-UEKVPHQBSA-N	306.362	1.199	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNc1ccc(-c2ccccc2)nn1	287580199	FUBSWHLALSKGGO-UHFFFAOYSA-N	314.345	1.928	50	20	DDGD	
COC(=O)N(C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F	286226925	FWOWFMKZHJNSMS-UHFFFAOYSA-N	313.285	1.741	50	20	DDGD	
CC1CCC(OCC(=O)NNc2nc3ccccn3n2)CC1	282038002	YMGQTNKQLCZZOA-UHFFFAOYSA-N	303.366	1.768	50	20	DDGD	
Cn1ncc2c1CCC[C@@H]2NC(=O)NNc1ncccc1F	286745153	ULGQBRIFIDFHFA-NSHDSACASA-N	304.329	1.658	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc(C(C)C)no1	288115836	YBPAOGFIRMCEHE-UHFFFAOYSA-N	313.354	1.348	50	20	DDGD	
CSSCCNC(=O)Nc1cccc(S(N)(=O)=O)c1	285386790	YHFPMFIXLKJBKI-UHFFFAOYSA-N	321.449	1.467	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNc2nccnc2C2CCC2)c1	287236965	PSLRDKBTUOKIDJ-UHFFFAOYSA-N	311.345	1.600	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1cccnn1)Cc1ccccc1	296545158	BHRKTXZTOOPONQ-CYBMUJFWSA-N	301.350	1.360	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1ccc(OCC2CC2)nc1	299539143	WBCIOBRMYHELNR-UHFFFAOYSA-N	320.393	1.747	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)c1	800687693	FNDFFAGPLISVEL-FIXISWKDSA-N	321.377	1.068	50	20	DDGD	
COc1ccc(OC)c([C@H](C)NC(=O)NNc2ccncn2)c1	296237155	PUGPNUXVQKODRL-JTQLQIEISA-N	317.349	1.881	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)[C@@H]2CCCCO2)c1CC	295648339	URQMBNHZHISWFZ-AWEZNQCLSA-N	322.409	1.576	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H](C)C2)cc1	802053795	AMZZLABZGODHLQ-QWRGUYRKSA-N	307.350	1.663	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)c2cnns2)cc1	802124606	RBGRHYLIGLULPW-UHFFFAOYSA-N	306.351	1.071	50	20	DDGD	
O=C(NNc1ncccc1F)C(=O)Nc1ccc(Cl)cc1	804218760	FGBXKOBDVUXECH-UHFFFAOYSA-N	308.700	1.956	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNC(=O)CNc1ccccc1	809992384	MPGIMGCGEWRPEL-UHFFFAOYSA-N	307.353	1.470	50	20	DDGD	
COc1c(F)ccc(F)c1C(=O)NNC(=O)N=c1cc[nH]cc1	802028511	ADXBXYCPXWKIOI-UHFFFAOYSA-N	322.271	1.257	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CSC(F)F	294307860	JBKZPPODMFXZDA-ZETCQYMHSA-N	322.308	1.696	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@H]1C[C@H](c2ccccc2)C1	292638289	NCYPCSGCGYTNGM-IHRRRGAJSA-N	303.362	1.442	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)Cc1ccccc1OC	812479708	NXDYKAYLJZPITM-VXGBXAGGSA-N	308.378	1.304	50	20	DDGD	
CCOc1ccc(C(=O)NN=C2CC(C(=O)O)C2)cc1OC	814754326	HVVFTMAZQPLISZ-UHFFFAOYSA-N	306.318	1.674	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C1CCCC[C@@H]1CCCO	814826841	JOSPWCJSNLPZDF-GFCCVEGCSA-N	321.377	1.444	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H]2CCCSC2)cc1	810008075	YRYSZIJIYFCSRS-LBPRGKRZSA-N	307.419	1.698	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCC(C)CC1)c1ccc(N)nc1	814764084	MAEYIOXDKSFCHE-CYBMUJFWSA-N	317.437	1.872	50	20	DDGD	
O=C(NNc1ncncc1F)c1cnnn1-c1cccc(F)c1	817080267	YBDIXARVHGIXFB-UHFFFAOYSA-N	317.259	1.092	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=S)NC2CCC2)cc1	814197801	GTCLGLUZZNTPHN-UHFFFAOYSA-N	307.423	1.806	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NC[C@H]1CCCNC1=O	819451333	CRZFKXGLFULLMR-RKDXNWHRSA-N	305.216	1.438	50	20	DDGD	
C[C@@H]1C(=NNC(=O)Cc2cc[nH]n2)CC[C@H](C(=O)O)C1(C)C	814958121	ZOOSNCCDGSKAFV-MWLCHTKSSA-N	306.366	1.581	50	20	DDGD	
CC(C)C(=O)Nc1cc(C(=O)NNC(=O)NCC2CC2)ccn1	815115754	XTFIMEVYTTXIRO-UHFFFAOYSA-N	319.365	1.030	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@H]2CCCSC2)cc1	810195498	MOZTWAIJAQZSFH-ZDUSSCGKSA-N	322.430	1.918	50	20	DDGD	
CC[C@@H](C)CONC(=O)NNC(=O)COc1ccc(C)c(C)c1	813831710	IUKDVZIBHBLEQJ-LLVKDONJSA-N	323.393	1.990	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)NCc2ccco2)ccc1O	813424382	MSEPCSLUWLXYCK-UHFFFAOYSA-N	303.318	1.692	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(OC(C)C)c(C(C)=O)c1	823893480	KNSVMMBIYOXDPX-UHFFFAOYSA-N	308.378	1.635	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNC(=S)NCCc1cccs1	820171724	XVLNJLTYJOXVHS-CYBMUJFWSA-N	310.448	1.726	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)NNC(=O)C2CC2)C1	495525271	DLIPQIUERNQUDP-ZBEGNZNMSA-N	323.393	1.191	50	20	DDGD	
CC(C)[C@H](NC(=O)O)C(=O)NNc1cc(F)c(F)c(F)c1	824137893	WPCUICAEBBZLEB-JTQLQIEISA-N	305.256	1.839	50	20	DDGD	
O=C(NCCOCCF)NNC(=O)c1ccc(Cl)cc1	824331500	WFBCUAXWNACGRV-UHFFFAOYSA-N	303.721	1.270	50	20	DDGD	
CC(C)(CN1CCOCC1)C(=O)NNc1c(F)cccc1F	821152631	GHLNBWRUDGXZOF-UHFFFAOYSA-N	313.348	1.766	50	20	DDGD	
O=C(NNc1cccc2cnccc12)c1ccc(-c2nn[nH]n2)[nH]1	826449100	BUGLERNHINTWEY-UHFFFAOYSA-N	320.316	1.500	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1c[nH]nc1-c1ccccc1Cl	823947541	ZCNWHXAYGUMZKH-SECBINFHSA-N	308.769	1.688	50	20	DDGD	
CC(CCn1cccn1)=NNC(=O)CNC(=O)OC(C)(C)C	494726811	QIGKNQZAUFLPAH-UHFFFAOYSA-N	309.370	1.290	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C(C)[C@@H]1CCCO1	496729984	HVWFDXXTNJEVOI-STQMWFEESA-N	323.393	1.574	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@]1(C)CC1(Cl)Cl	826907408	PAHSCWQHQYRRRC-LAEOZQHASA-N	324.208	1.326	50	20	DDGD	
O=C(CN1CCCNC1=O)NNc1cccc(C(F)(F)F)c1	728716572	UKOKSUDGJSRPTB-UHFFFAOYSA-N	316.283	1.564	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cc(C(F)F)n(C)n1)C1CC1	824446121	GSJZFMOSUIQFBL-ZCFIWIBFSA-N	317.365	1.265	50	20	DDGD	
C[C@@]1(C(=O)NNc2ncncc2F)CCOc2ccccc21	820386098	LJAVNWQKDMVOPI-OAHLLOKOSA-N	302.309	1.799	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H]1CCCCN(C)C1=O	822483925	YRFOZCGNBDHQRX-NSHDSACASA-N	305.382	1.302	50	20	DDGD	
C[C@@H]1CCC[C@H]2CCCN(C(=O)c3ccc(B(O)O)c(F)c3)[C@H]21	584934282	PXAHRWDFGLVEGU-WQGACYEGSA-N	319.185	1.546	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)C1CCC(O)CC1	822730738	DFIZBKXZVOPRTK-UHFFFAOYSA-N	310.325	1.607	50	20	DDGD	
N[C@H](CC(=O)NNc1nc(-c2ccc(Cl)cc2)no1)C1CC1	829523609	ZDXYUPFHYDIEGD-LLVKDONJSA-N	321.768	1.961	50	20	DDGD	
Cn1cc(C=NNC(=O)Cc2cn3ccccc3n2)c(C2CC2)n1	901194892	QOFMHBKJAYINAP-UHFFFAOYSA-N	322.372	1.638	50	20	DDGD	
C[C@H]1CCC[C@@]1(C)C(=O)NNC(=O)CNC(=O)c1cccs1	822970951	YTEQDUCFPNAIDT-ZUZCIYMTSA-N	323.418	1.452	50	20	DDGD	
COCCOc1ccc(C=NNC(=O)Cc2nc(C)cs2)o1	901160408	ZIVKINJLWDVDOD-UHFFFAOYSA-N	323.374	1.763	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1cccc(F)c1	494538329	HBLONJQWONCMDV-UHFFFAOYSA-N	311.313	1.111	50	20	DDGD	
CCOc1c(Cl)cccc1CC(=O)N1CC[C@@H](B(O)O)C1	585064413	PUFZGGJMERGHEH-LLVKDONJSA-N	311.574	1.357	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1cnn(C2CCC2)c1	901215000	HGYIARVBZHBIGX-UHFFFAOYSA-N	321.381	1.583	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1c(C2CC2)cnn1C	830332296	SJBURLQPMHTPNB-UHFFFAOYSA-N	312.373	1.610	50	20	DDGD	
CCCCSCC(=O)NNC(=O)COc1ccccc1O	730780109	OZCYOIMKBQBPDI-UHFFFAOYSA-N	312.391	1.452	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)[C@@H](C)Cc1ccccc1[N+](=O)[O-]	833384468	JOUKRRXHRBSDSR-VIFPVBQESA-N	322.321	1.533	50	20	DDGD	
CC(C)OC1CCN(CC(=O)NNC(=O)c2ccccc2)CC1	730571022	QJUMYVGCKNJGRT-UHFFFAOYSA-N	319.405	1.337	50	20	DDGD	
CCC[C@@H](OC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)OCC	837970327	BNCZGCZCMJHVES-FFXRNRBCSA-N	305.334	1.602	50	20	DDGD	
CCOC[C@@H]1CCCN([C@H](C)C(=O)NNC(=O)CC(C)C)C1	733797081	OQBZJGMJXRZYSY-ZIAGYGMSSA-N	313.442	1.317	50	20	DDGD	
CC(C)[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)[C@@H]1C(C)C	584996375	GJIAJNVIKJYMDT-IUODEOHRSA-N	307.174	1.258	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1CCOc2c(F)cccc21	585037199	UNXINELIRGGXLO-OAHLLOKOSA-N	301.126	1.119	50	20	DDGD	
Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2cccc(B(O)O)c2)C1	584949509	MMLFFEDEZMDZQL-HOCLYGCPSA-N	323.201	1.693	50	20	DDGD	
CNc1cc(C(=O)NNC(=O)NC2CCCC2)cc(Cl)n1	735655663	HSAOAWPCIDCRIW-UHFFFAOYSA-N	311.773	1.663	50	20	DDGD	
C[C@@H]1Oc2ccccc2[C@H]1NCc1ccc(B(O)O)cc1F	585041727	UJKHYKWXFVFDNY-QFYYESIMSA-N	301.126	1.117	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H]1CCCCO1)c1ccc(OC)cc1	833243375	RDWNQJOVHFWXPU-LSDHHAIUSA-N	320.389	1.905	50	20	DDGD	
Cc1nonc1C(=O)NNC(=O)c1c(Cl)cccc1Cl	733930592	ANUMUGLVGKGPNM-UHFFFAOYSA-N	315.116	1.760	50	20	DDGD	
COCCN1[C@H]2CC[C@H]1CC(=NNC(=O)[C@@H]1CCCCO1)C2	834985292	KALASROCIPCNTH-KKUMJFAQSA-N	309.410	1.301	50	20	DDGD	
COc1ccc(NCC(=O)NN=C2CCN(OC)CC2)cc1	834919775	BZZRHXWMVLAJAI-UHFFFAOYSA-N	306.366	1.237	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@H](N2CCCCC2)C1	732202122	VCBVFMYZPLUJLS-GJZGRUSLSA-N	324.469	1.129	50	20	DDGD	
CC(=NNC(=O)c1ccncc1)c1ccc(-n2cncn2)cc1	917209679	XYKVDWQLJTVLBD-UHFFFAOYSA-N	306.329	1.816	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cn(C)nc1C1CCCCC1	836710018	KIQWUXWLDSXHIL-UHFFFAOYSA-N	309.370	1.267	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1	839483195	VKKZXXBWRQCJJJ-IACUBPJLSA-N	315.373	1.170	50	20	DDGD	
CC(C)(C)[C@@H](NC(N)=O)C(=O)NNc1cc(C#N)cc(Cl)n1	839717062	KVVSGCKYYZILKQ-JTQLQIEISA-N	324.772	1.133	50	20	DDGD	
CC(=NNC(=O)[C@H](C)Oc1ccc(F)cc1)c1cn(C)nn1	834928452	MZPORYLZRRGRBG-JTQLQIEISA-N	305.313	1.262	50	20	DDGD	
CC(=NNC(=O)c1cc(Br)c[nH]1)[C@H]1CCOC1	741758722	GJEOUTAHBXNDTM-QMMMGPOBSA-N	300.156	1.919	50	20	DDGD	
Cc1cccc([C@@H](CC(=O)NNC(=O)CC(C)C)NC(N)=O)c1	914605261	IHMUAUKXXRHDGU-CYBMUJFWSA-N	320.393	1.288	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C	910141442	SZXBSOWBDLSMEO-QWRGUYRKSA-N	302.415	1.334	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNc1ccc(Cl)nc1	743815823	AOWXVHMSIZJHQL-UHFFFAOYSA-N	310.766	1.670	50	20	DDGD	
O=C(NC[C@H]1CNCCO1)NNc1ccc(Cl)cc1Cl	842010828	KPJRKQGUKZYPDL-SECBINFHSA-N	319.192	1.608	50	20	DDGD	
O=C(CCCOc1cccnc1)NNC(=O)c1ccccn1	742462541	GJHPVVRJAQJCIN-UHFFFAOYSA-N	300.318	1.097	50	20	DDGD	
CCN1C(=O)C(=NNC(=O)[C@@H]2CCO[C@@H]2C)c2cc(C)ccc21	842556254	MFEMPBNMMMFJPF-VXGBXAGGSA-N	315.373	1.607	50	20	DDGD	
C[C@@]1(C(=O)NCc2cc(O)nc(S)n2)C[C@H]1Br	911853839	FLPYXTFZEKHCNN-LHLIQPBNSA-N	318.196	1.261	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)C1)c1ccc2ccccc2n1	912773234	CBCAYBWEGWEANS-UHFFFAOYSA-N	303.343	1.139	50	20	DDGD	
C[C@H](N)[C@@H](C)NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	842001663	ATWBLZWIZOVZBU-UKVBBZTPSA-N	308.426	1.269	50	20	DDGD	
C[C@H]1C[C@H](C(=O)Nc2cccc(NC(=O)NN(C)C)c2)CO1	843870063	MPOCCISZHROJHF-QWRGUYRKSA-N	306.366	1.648	50	20	DDGD	
C=CCOc1ccc(CC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	843659415	IGHKKXIENUYOTA-SWLSCSKDSA-N	318.373	1.366	50	20	DDGD	
O=C(NNC(=O)c1scnc1C1CCCC1)c1ncccn1	841349920	BQEXGQSRAICUBL-UHFFFAOYSA-N	317.374	1.666	50	20	DDGD	
CCNC(=O)NNC(=O)c1cn(C)nc1-c1ccccc1OC	740818480	KLCBFKSUMICXMV-UHFFFAOYSA-N	317.349	1.060	50	20	DDGD	
COC(=O)COc1c(C)cc(C=NNC(=O)C2CC2)cc1C	746486438	AHSUNYYURCEKDV-UHFFFAOYSA-N	304.346	1.715	50	20	DDGD	
Cc1cc(OCC(=O)NNc2cccc([N+](=O)[O-])c2C)no1	748681416	PNBBVXDPJBGFPG-UHFFFAOYSA-N	306.278	1.722	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CCc2cnn(C)c2)c1	918687304	MYOLEAYPOQVHNX-UHFFFAOYSA-N	317.418	1.679	50	20	DDGD	
Cc1cc(NNC(=O)c2cnc(N(C)C)c(Cl)c2)nc(C)n1	848371541	OCGYNWQXMYLUAT-UHFFFAOYSA-N	320.784	1.965	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NCC2(N)CCC2)ccc1F	841966893	IAFRMWPPEFKMMW-UHFFFAOYSA-N	310.329	1.120	50	20	DDGD	
COC(=O)Nc1ccccc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843976900	ZUHGASBVTNTONF-ZJUUUORDSA-N	321.333	1.051	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCn2cccn2)c1C	855627803	CIQXPJCLZVQTEL-UHFFFAOYSA-N	302.334	1.512	50	20	DDGD	
CC[C@]1(C)CCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1	758749889	XOOIHLFRRLVBGB-MRXNPFEDSA-N	307.369	1.709	50	20	DDGD	
C[C@@H]1COC[C@@H]1NC(=O)NNC(=O)C(C)(C)c1ccccc1	926000999	VOQYAYCSFZYOBL-YPMHNXCESA-N	305.378	1.330	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)[C@@]23CCC[C@@H]2C3)nc2ccccc21	929267232	BRIZYUWHMLJDIS-PIGZYNQJSA-N	312.373	1.453	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CC[C@@]3(CCOC3)C2)c1	858705831	IECLLIYXIGKNGM-CQSZACIVSA-N	309.391	1.523	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cccc(Br)c1C	854924228	GOKKVHIDUSTSSM-UHFFFAOYSA-N	316.224	1.838	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cn2cc(C3CC3)cn2)c(O)c1	857007915	XVDXMZAJLAQZIB-UHFFFAOYSA-N	314.345	1.236	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2cnnn2C)o1	751134584	ZOBZXEYJQRKLRF-UHFFFAOYSA-N	304.354	1.014	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](C)[C@H]1OCCc2sccc21	854920688	HBFKKVRHSHYGQD-LDYMZIIASA-N	313.448	1.465	50	20	DDGD	
COCc1nn(C)cc1C(=O)NC[C@]1(C)C[C@@H]1Br	857385494	INDAQBIVGRKZCE-JQWIXIFHSA-N	316.199	1.470	50	20	DDGD	
COc1ccccc1[C@H](CO)NC(=O)NNC(=O)C1CCCC1	753355380	PMKGXUBBQMWJBL-ZDUSSCGKSA-N	321.377	1.249	50	20	DDGD	
COc1cccc([C@H](CNC(=O)NNC(=O)C(C)C)OC)c1	858653311	TYZZTFFFMVRJSI-ZDUSSCGKSA-N	309.366	1.369	50	20	DDGD	
COCc1nccc(NC(=O)c2c(C)nn(CCCl)c2C)n1	857657614	KMRSDLNISUMPRJ-UHFFFAOYSA-N	323.784	1.927	50	20	DDGD	
O=C(NN=Cc1ccc(O[C@@H]2CCOC2)cc1)[C@H]1CCCCO1	853352995	NGDDQQBUEALYBW-HZPDHXFCSA-N	318.373	1.874	50	20	DDGD	
O=C(NNC(=O)N1CCO[C@H](c2ccco2)C1)C1CCCC1	753340768	VQLJJVPWERRZMT-ZDUSSCGKSA-N	307.350	1.584	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@H]2CC(C)=NO2)cc1OC	854236657	OLUVAYFHJYOGLV-CYBMUJFWSA-N	321.333	1.020	50	20	DDGD	
CC(C)(C)N(CC(=O)NNC(=O)C1CC1)Cc1ccsc1	852311406	GJMLPVQRGVFVQD-UHFFFAOYSA-N	309.435	1.906	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](CC(=O)OCC)C(F)(F)F	855515713	HFNVXGTUSWOTRH-FCZSHJHJSA-N	308.256	1.431	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C2CC2)ccc1Br	858121610	IZDOPVIJTVDCKV-UHFFFAOYSA-N	313.151	1.629	50	20	DDGD	
CCn1cc(C(=O)C(=O)NC[C@@]2(C)C[C@@H]2Br)cn1	857249506	HHDXQLGAMRRIFL-JOYOIKCWSA-N	314.183	1.375	50	20	DDGD	
COCCN(C)NC(=O)c1ccccc1[S@](=O)C(F)(F)F	935912900	XSXHPZKRANPHPM-NRFANRHFSA-N	324.324	1.537	50	20	DDGD	
COc1ccc(O)c(C(=O)NNc2cc(Cl)nc(N)n2)c1	753458191	WVJHYFJAWLTRSQ-UHFFFAOYSA-N	309.713	1.183	50	20	DDGD	
COCCCn1cc(C(=O)NNc2cc(Cl)nc(C)n2)cn1	862013103	NSSDXHNHKCHPLJ-UHFFFAOYSA-N	324.772	1.428	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccnn1CC1CCC1	868619021	FLKSPGOLCJKIAE-ZDUSSCGKSA-N	306.366	1.013	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNc1ccc(C(F)(F)F)cn1	867493929	SMMNSGPISJWEFP-SECBINFHSA-N	304.272	1.458	50	20	DDGD	
N#C/C(=C/c1ccccc1)C(=O)OCC(=O)NC[C@@H]1CCCO1	864095517	OXZZGQUUGRUMLT-MZLJFPOFSA-N	314.341	1.432	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(F)cc1C(F)(F)F	763438351	RUWFXMHPNPZFHE-UHFFFAOYSA-N	321.230	1.340	50	20	DDGD	
O=C(CCC[C@@H](O)c1ccccc1)NNC(=O)c1cn[nH]c1	862469862	VDXWNJQGFTYJLU-CYBMUJFWSA-N	302.334	1.075	50	20	DDGD	
COCc1ccc(C=NNC(=O)COc2ccc(OC)cc2)o1	764666968	WWLVRPPJOMMNGK-UHFFFAOYSA-N	318.329	1.964	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(F)cc1NC(C)=O	865014788	NBVWONKZFABUSL-UHFFFAOYSA-N	310.329	1.528	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)CNc2ccccc2)[C@@H]1C	863853481	ZWTGFQVBNHLJSN-ZAZJYDDPSA-N	305.378	1.305	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccccc2C(=O)OC)cn1	867223669	QSDNPCRYVWMNFY-UHFFFAOYSA-N	318.333	1.073	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1	762944919	JQHZCMPEEJXHLS-SECBINFHSA-N	308.363	1.380	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C=NNC(=O)c2cccnc2)c1C	863064709	ORRANFZXWNITIX-UHFFFAOYSA-N	314.345	1.967	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cncc(N2CCCC2)n1	867653381	WTOKPBTZXDKFCL-UHFFFAOYSA-N	319.756	1.277	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cccs1)C[C@@H]1CCCO1	764216822	YHZCFXAQBPZYSS-NSHDSACASA-N	311.407	1.010	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)C[C@H](C)c2cnn(C)c2)c1	862480357	SRMALGSWSGPOLF-JTQLQIEISA-N	306.391	1.745	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)NCc1ccoc1	765691747	BIMWTPZVMUPZOH-UHFFFAOYSA-N	309.347	1.509	50	20	DDGD	
CN(C)CC1(C(=O)NNC(=O)C(C)(C)c2ccccc2)CC1	874447775	JGEVXQKUHKPIEM-UHFFFAOYSA-N	303.406	1.453	50	20	DDGD	
Cc1cc(C=NNC(=O)CNC(=O)c2cccnc2)ccc1F	763198087	FWWFBBWOTQRSGX-UHFFFAOYSA-N	314.320	1.409	50	20	DDGD	
CC1(C)C[C@@H]1CNC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1118812450	GTRMYYAFVUINPW-VYUIOLGVSA-N	317.227	1.438	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1cc2ccccc2o1	772047716	YNIYFTCFDQIWOO-SNVBAGLBSA-N	318.329	1.464	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCO[C@@H](C)C2)cc1C	776341431	SVBBIIFVFKUBJL-KBPBESRZSA-N	320.389	1.645	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(C)n([C@H](C)C3CC3)n2)n1	777302173	ONXCDGQXIZDQHN-SNVBAGLBSA-N	316.365	1.718	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)C1(C(=O)NC2CC2)CCC1	772823106	LKHAVYJHGQRXFG-UHFFFAOYSA-N	317.393	1.492	50	20	DDGD	
C#CCO[C@H](C)C(=O)NNC(=S)Nc1c(C)cccc1CC	873852953	GTBHMYKXUVDRNA-GFCCVEGCSA-N	319.430	1.913	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)Cc1ccccc1Cl)c1ccccn1	771841093	UMQYDMFHNSDPGL-ZDUSSCGKSA-N	319.748	1.100	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H]1CC(C)=NO1	873770434	MFNCXMYUVOLZGN-NSHDSACASA-N	308.363	1.178	50	20	DDGD	
CC(C)c1cnc(NC(=O)NNC(=O)C2CCOCC2)s1	879371800	ZBBQZZNOZDZMQC-UHFFFAOYSA-N	312.395	1.846	50	20	DDGD	
COCc1nocc1C(=O)NNc1oc(C(C)C)nc1C#N	1117705692	KWAJQWSCOFTOES-UHFFFAOYSA-N	305.294	1.561	50	20	DDGD	
CN(C)c1ccc(C=NNC(=O)CNC(=O)OC(C)(C)C)cc1	777903830	DGJAFPJYQYPQRZ-UHFFFAOYSA-N	320.393	1.727	50	20	DDGD	
COCCOCC(=O)NN=Cc1csc(-c2ccccn2)n1	872403918	YDMWBGZOOXFCNJ-UHFFFAOYSA-N	320.374	1.318	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1cc(N2CCN(C)CC2)ccn1	870667503	YLVPGMSHPBSFGI-SEYXRHQNSA-N	315.377	1.216	50	20	DDGD	
COc1cc(C(=O)NNc2ccc(C#N)c(Cl)c2)nn1C	773975990	PLQQLCBETKVGTJ-UHFFFAOYSA-N	305.725	1.711	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCc2scnc2C)cc1	1117991217	KRRFCNPTRAEOLN-UHFFFAOYSA-N	319.386	1.854	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)/C=C\[C@@H]2CCOC2)cn1	874955506	RXWZCIPNEPQQNW-WUWIAWFRSA-N	322.390	1.001	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)NCC1CC=CC1	875798266	HXSITCQQGAAZPJ-UHFFFAOYSA-N	307.325	1.501	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)CN(C)C)ccc1OC(C)C	775789000	AFWHXAJYDMMTFD-UHFFFAOYSA-N	324.381	1.197	50	20	DDGD	
C[C@H](CNC(=O)NNc1cccc(S(C)(=O)=O)c1)C1CC1	776617986	SVUJKUNMYAIIFB-SNVBAGLBSA-N	311.407	1.762	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cccnn1)[C@@H]1C[C@H]2CC[C@H]1C2	883038738	RHJVBOTZBMIZFS-BJDJZHNGSA-N	303.366	1.245	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@@H]1CCO[C@H](CC)C1	772260141	URLCHLJINOBGPT-QJPTWQEYSA-N	314.382	1.071	50	20	DDGD	
CCOC(=O)c1cc(NC(=O)NNc2ncc(F)cn2)cn1C	775667373	PNMTZJOOQWALFI-UHFFFAOYSA-N	322.300	1.280	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC[C@H](C(C)(C)C(=O)OC)C1	772873003	SKPRABZOIWHWMD-YLSINNKHSA-N	308.378	1.868	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)c(F)c1	880250398	OWUGHFFDMNHEDL-COPLHBTASA-N	322.336	1.871	50	20	DDGD	
COc1c(Cl)cccc1NC(=O)C(=O)NNc1ncccn1	773716202	IQYSZGVLYCAEAK-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)N[C@@H]1CCCC12OCCO2	889515852	HXWWAPFCDOTEGN-SNVBAGLBSA-N	312.757	1.657	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1)c1cccnn1	882056351	QQSWXGMUQDLEIY-CABCVRRESA-N	324.384	1.897	50	20	DDGD	
O=S(=O)(CCCCl)N1CC[C@@H](Oc2ccncc2)C1	882137785	VIRZWODMVDCWGH-GFCCVEGCSA-N	304.799	1.493	50	20	DDGD	
C#CCCCC(=O)NNC(=O)COc1cccc(C(C)=O)c1	887139317	KCCVOQHFYVKBHY-UHFFFAOYSA-N	302.330	1.219	50	20	DDGD	
CSC1(C(=O)OCC(=O)NNC(=O)c2ccccc2)CCC1	787231360	BQAQULCQRWMXPN-UHFFFAOYSA-N	322.386	1.277	50	20	DDGD	
CS[C@@H](CNC(=O)NNC(=O)C1CCOCC1)C(C)(C)C	883563976	DIKJWPHZKAMDGQ-NSHDSACASA-N	317.455	1.521	50	20	DDGD	
CC(C)(C)c1csc(NC(=O)C(=O)NNC(=O)C2CCC2)n1	789734073	ALFNDVPWSGPABU-UHFFFAOYSA-N	324.406	1.327	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@H]1CCc2ccc(O)cc21	883777395	XOQYLCQTJOFPEC-AWEZNQCLSA-N	319.361	1.137	50	20	DDGD	
COc1cc(C=NNC(=O)C(F)F)c(Br)cc1O	782234075	AWYZORMRKAAAHW-UHFFFAOYSA-N	323.093	1.879	50	20	DDGD	
Cc1nnc(CNC(=O)NNC(=O)Nc2ccccc2C)s1	780045699	AVYWYOSLIUJTDP-UHFFFAOYSA-N	320.378	1.691	50	20	DDGD	
COc1ccc(NNC(=O)NCCCN2CCCCC2=O)nc1	780986673	AKTKFMYECGJZIH-UHFFFAOYSA-N	321.381	1.119	50	20	DDGD	
COc1cccc(NNC(=O)CCOc2cccc(C=O)c2)n1	781023850	KHXDSYSMSHMWBK-UHFFFAOYSA-N	315.329	1.815	50	20	DDGD	
COc1cc(CCNS(=O)(=O)CBr)ccc1O	782454945	GHZRSJPADAEWRI-UHFFFAOYSA-N	324.196	1.215	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCC(C)(C)C#N)cc1C	781954783	XCMVSQAUWDTFDN-UHFFFAOYSA-N	318.377	1.562	50	20	DDGD	
COc1ncncc1NC(=O)C(=O)NNc1ccc(Cl)cc1	783340397	ZULFGFJOSNBYTE-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cc(N)nc(Cl)c2)c1	780791514	KZWPQWWJJRAYDQ-UHFFFAOYSA-N	320.736	1.861	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@H](O)C2CCCCC2)c1	783608517	HKSTVRNYWKVXIC-CQSZACIVSA-N	301.346	1.260	50	20	DDGD	
CCOC(=O)NNC(=O)CCC(=O)N[C@@H](C)c1ccccc1	895513317	YJZZGCGAARCQQG-NSHDSACASA-N	307.350	1.421	50	20	DDGD	
CCn1ncnc1CNC(=O)c1c(C)nn(CCCl)c1C	794239465	UTMPBUFODFVVLP-UHFFFAOYSA-N	310.789	1.280	50	20	DDGD	
O=C(NCc1c(F)cc(F)c(F)c1F)NNc1cccnn1	797521687	YKUKJDGZXAPMGL-UHFFFAOYSA-N	315.230	1.859	50	20	DDGD	
CC[C@@H](C)n1ncc(NC(=O)NNC(=O)c2cc(C)[nH]n2)c1C	792481432	KGSABYXOHLFWRL-SECBINFHSA-N	319.369	1.661	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCC(C)CC1)c1ccnc(O)c1	790287585	MNBGOLGWPYGKKV-ZDUSSCGKSA-N	318.421	1.995	50	20	DDGD	
O=C(CN1CCC(F)(F)CC1)NNC(=O)c1ccc(F)cc1	796540827	WDHHKIFREOXIET-UHFFFAOYSA-N	315.295	1.318	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1ccc2[nH]ccc2c1	792376761	YENZWSGPTMQHDL-UHFFFAOYSA-N	309.329	1.953	50	20	DDGD	
O=C(c1cc(F)c(Cl)cc1Cl)N1CC[C@H](B(O)O)C1	585069356	NROFASQJZLXHPS-LURJTMIESA-N	305.929	1.821	50	20	DDGD	
CO[C@@H](C(=O)NNc1cccc2cnccc12)c1cnn(C)c1	798982807	PQIJNJKDGZVRHX-OAHLLOKOSA-N	311.345	1.799	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1	798305673	ZXDTVWCDGNOMLC-UHFFFAOYSA-N	314.754	1.543	50	20	DDGD	
COc1cccc([C@@H](C)C(=O)NNC(=O)c2cccc(C)n2)c1	794089149	CPXIQQFOVFVCSJ-GFCCVEGCSA-N	313.357	1.963	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ncccc2C)cc1F	792378432	SEBIVHNCSBZEQC-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1	791221366	SSKCWVRHQLMKFN-SECBINFHSA-N	316.283	1.244	50	20	DDGD	
C[C@H](SCC(=O)NNC(=O)C1CC1)C(=O)OC(C)(C)C	794866883	XXNIHUBNVSBIHP-QMMMGPOBSA-N	302.396	1.007	50	20	DDGD	
CO[C@H](CNS(=O)(=O)CBr)c1ccccc1	769934333	SETRCCWJOYMNJB-SNVBAGLBSA-N	308.197	1.646	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNc1ccc(Br)nc1	1319865491	HBHVVVJITMCBBH-UHFFFAOYSA-N	324.182	1.897	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2COc3ccccc32)cc1	1318781243	BTWAWGXNPCHYRR-AWEZNQCLSA-N	312.325	1.632	50	20	DDGD	
CCc1ccc(C(=O)NNc2nncc(N)c2Cl)c(O)c1	1326162874	WEXGIRSQHPTEOI-UHFFFAOYSA-N	307.741	1.737	50	20	DDGD	
CNC[C@H](C)CNC(=O)NNc1ccc(OC(F)F)cc1	1325681095	ONLKLYCWIQJNJC-VIFPVBQESA-N	302.325	1.770	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=Cc1cccc(OC(F)F)c1	1326864053	RKYNDVHAECDWHC-UHFFFAOYSA-O	306.292	1.726	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc(C(C)(C)C)nn2)n[nH]1	1321038653	ZTJBRCPBFZBXJF-UHFFFAOYSA-N	317.353	1.272	50	20	DDGD	
CC(Cn1cccn1)=NNC(=O)c1cncn1-c1ccccc1	1324253289	BJTOEVLWKBKVDH-UHFFFAOYSA-N	308.345	1.875	50	20	DDGD	
O=C(CCc1cnccn1)NNC(=O)c1ccccc1Cl	1324973044	LPECKAMAIQUKIF-UHFFFAOYSA-N	304.737	1.524	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2cncc(Br)c2)nc1	1323067109	OKKSHVYAHZIOEG-UHFFFAOYSA-N	318.134	1.868	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cn2cc(C3CC3)nn2)c1	1320210570	QFZASKDDGSFMCA-UHFFFAOYSA-N	315.333	1.085	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CCN(C)C1CCCCC1	1256269249	FOQIHADNQMEETK-UHFFFAOYSA-N	300.472	1.545	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21)c1cc(Cl)ccc1O	1334127986	YVLFJTGVMLVBRO-NZXMKCKXSA-N	308.721	1.032	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C1(c2cccc(C#N)c2)CC1	1334279756	MOPGKPRIIVUJKW-UHFFFAOYSA-N	302.403	1.494	50	20	DDGD	
CC1(C(=O)NNC(=S)Nc2ccccn2)CCC(=O)CC1	1330313879	YRWHAIQFUQGFMC-UHFFFAOYSA-N	306.391	1.549	50	20	DDGD	
C[C@@]1(CNC(=O)NCc2csc(N)n2)C[C@H]1Br	1336152016	VTYUHSYOIVZUHT-XCBNKYQSSA-N	319.228	1.698	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)c1c(C)nc2ccccn12	1346405649	KSZPIFMVDWCRIS-VXGBXAGGSA-N	316.361	1.219	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)CO[C@@H]1CCOC1	1261378108	OTQNBALAFKGCSF-SECBINFHSA-N	314.773	1.502	50	20	DDGD	
CC(C)CN1CCC[C@@H]1C(=O)NNC(=O)Nc1ccccc1	1347070474	XSLRLQQVSOGVOV-CQSZACIVSA-N	304.394	1.960	50	20	DDGD	
C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C1CCC(Cl)CC1	1520263457	ASRVHFKFOXETLK-PNESKVBLSA-N	315.845	1.362	50	20	DDGD	
O=C(NC[C@H](C(=O)O)[C@@H]1CCOC1)c1cccc(CCl)c1	1601457456	UXSQKXACRKMKBT-OLZOCXBDSA-N	311.765	1.893	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCc1ocnc1C(=O)O	1603303188	RHIFKINQIQXLCK-QMMMGPOBSA-N	319.155	1.799	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)C2CCOCC2)c(C(=O)O)nn1C	1600009881	RRJMFJGARHRWKO-XFFZJAGNSA-N	303.318	1.329	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)cc1F)N[C@@H]1CCCNCC1	1601556186	CMTWZUZMWFBDBQ-SNVBAGLBSA-N	310.329	1.292	50	20	DDGD	
C=C(C)C(C)(C)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	1609050868	FMVKCQMWEBAHTD-UHFFFAOYSA-N	321.772	1.961	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNc2cc(C)nc(N)n2)c1	1605141501	YQDDJJJHVANIAG-UHFFFAOYSA-N	301.306	1.131	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)C(C)(C)c1ccccc1)C(=O)O	1603560618	DHIFGZPZPQKWRH-NSHDSACASA-N	321.377	1.405	50	20	DDGD	
CC1(C)COC[C@H]1NC(=O)NNc1ccc(C(=O)O)c(F)c1	1609817905	CARUAUZNYGUZFV-LLVKDONJSA-N	311.313	1.575	50	20	DDGD	
O=C(CCc1ccc(C(=O)O)cc1)NNc1ncc(Cl)cn1	1601288235	CTOOFTOIFBZHOA-UHFFFAOYSA-N	320.736	1.904	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cccnc2-n2cccn2)c1	1602450199	OHFWAYPQPSZJRB-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
C[C@H](OCC(=O)NNc1ccccc1C(=O)O)c1nccn1C	1609798550	FCMAQJFNGSSFQH-JTQLQIEISA-N	318.333	1.339	50	20	DDGD	
Cc1cc(C=NNC(=O)NCC(=O)O)cc(C)c1OC(F)F	1607633651	QGGQWSKAFDTKPN-UHFFFAOYSA-N	315.276	1.623	50	20	DDGD	
COC[C@H](NC(=O)CCCC[C@@H]1CCSS1)C(=O)O	1610246717	UFTDAJAYLDNIDY-ZJUUUORDSA-N	307.437	1.916	50	20	DDGD	
O=C(NN=Cc1cscc1Cl)[C@H]1CN2CCC[C@@H]2CO1	1549320263	YPZUKAVLGGBWMB-ZYHUDNBSSA-N	313.810	1.715	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2CCC[C@@H](C(=O)O)C2)n1	1610518798	YQYUWVBCPMVLHS-WDEREUQCSA-N	305.334	1.042	50	20	DDGD	
CC[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(Cl)Cl	1802342818	RLQBNQUKDQZBEH-JXUBOQSCSA-N	323.220	1.199	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)NN=CCC(F)(F)F	1549313236	DYRCQQAQVJTIKY-GXSJLCMTSA-N	318.299	1.942	50	20	DDGD	
Cc1cc(Cl)cc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)c1	1549311708	BHTHSSHRUSCYCR-GJZGRUSLSA-N	321.808	1.962	50	20	DDGD	
COC[C@H](C)C=NNC(=O)[C@@H]1CCCO[C@@H]1c1nccn1C	1549309519	IQVUHJUOEWUSQN-UPJWGTAASA-N	308.382	1.272	50	20	DDGD	
C[C@@H]1OCCC1=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccnn1C	1549320251	NHGBXZDUEWBSMA-WDMOLILDSA-N	306.366	1.169	50	20	DDGD	
Cc1ccc2occ(CC(=O)NNC(=O)[C@H]3CCCNC3)c2c1	1579742616	BRIMBZWHDJFYSP-LBPRGKRZSA-N	315.373	1.431	50	20	DDGD	
O=C(CC1CC1)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846387381	OPFDFXSAJFIILS-UHFFFAOYSA-N	305.205	1.794	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H]1CC1(F)F)C2	1845165155	XWFLKTQAPTYBGQ-UWVGGRQHSA-N	320.767	1.862	50	20	DDGD	
CC1(C)C(C)(C)C1(C(=O)O)C(=O)NNC(=O)[C@@H]1CCCS1	1589205306	HCZMHVGOFAQXFG-QMMMGPOBSA-N	314.407	1.166	50	20	DDGD	
CCO/C=C/C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843367056	FPVYWCFYISQLBY-TZOMUSMUSA-N	304.749	1.274	50	20	DDGD	
O=C(c1cc(F)c[nH]1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843366807	QLSZDHZSWDPXRI-SNVBAGLBSA-N	317.723	1.505	50	20	DDGD	
Cn1nccc1[C@@H](NC[C@H](CBr)C1CC1)C(=O)O	1594596157	WLAXHPAXDQKUIZ-GXSJLCMTSA-N	316.199	1.557	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NN=Cc1ccc(C(=O)O)c(F)c1	1776098429	KPOSRSVLMDHQCY-ZDUSSCGKSA-N	321.352	1.847	50	20	DDGD	
O=C(O)/C=C/c1ccc(C=NNC(=O)c2ccc(O)c(O)c2)o1	1776058541	QGVVSXXKYJWVNM-JRKOTLHCSA-N	316.269	1.553	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2cccc(C(=O)O)c2)cc1	1776100402	FRGQPQOBBCLSTR-UHFFFAOYSA-N	312.281	1.847	50	20	DDGD	
CN(C)c1ccc(C(=O)O)cc1C=NNC(=O)c1ccnnc1	1776081539	TXJHIRAFXOHQNF-UHFFFAOYSA-N	313.317	1.005	50	20	DDGD	
O=C(NNS(=O)(=O)c1cccc(Cl)c1)c1ccccc1	16123710	ZILUPKUTZPRIHY-UHFFFAOYSA-N	310.762	1.963	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNC(=O)Cc1ccccc1F	150985738	ZMRBDDKEZUEAPC-UHFFFAOYSA-N	323.368	1.164	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)[C@@]1(O)CCSC1	152038422	USOIODRWSXJDFK-OAHLLOKOSA-N	308.403	1.025	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/C=C/c1ccccc1[N+](=O)[O-]	3251506	SYXDPWLXZPSSIM-RYSUZZKOSA-N	301.302	1.821	50	20	DDGD	
CCOc1ncc(C(=O)NNC(=O)c2cc(C)n[nH]2)cc1Cl	153242950	YDZKTQBYSKUZNO-UHFFFAOYSA-N	323.740	1.240	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccc2c(c1)Cc1ccccc1-2	155571441	AKYLEQFKUWMOKA-UHFFFAOYSA-N	311.341	1.793	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc(OC2CCC2)c(F)c1	156160020	ITMHVRQDBQWHGI-UHFFFAOYSA-N	324.356	1.471	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)c1cc(F)cc(F)c1	7593704	ONFYDBHQNDZXNF-UHFFFAOYSA-N	324.258	1.944	50	20	DDGD	
CN(C)c1cccc(C(=O)NNc2nc(-c3ccncc3)no2)c1	102185698	CTMAAPSUDCSXIU-UHFFFAOYSA-N	324.344	1.955	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)Cn2ccccc2=O)nn1	118525532	KIMGIWZEZQOIPO-UHFFFAOYSA-N	301.350	1.079	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2cnc(C)s2)c1	170851142	PMGWALGTDDSVJN-UHFFFAOYSA-N	320.374	1.333	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCCc2ccccc2Cl)cn1	117962680	WAOHVEPTVPVKSI-UHFFFAOYSA-N	321.768	1.260	50	20	DDGD	
O=C(CCC(=O)c1ccccc1)NNC(=O)NCC(F)(F)F	60414713	WUVPMBXTCAVQMI-UHFFFAOYSA-N	317.267	1.542	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CC(C)(C)CC(C)=O	188360498	SCIBHFJYKWJVJA-UHFFFAOYSA-N	320.389	1.781	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc2ccc(Cl)cc2[nH]1	68461313	PTDGMRFQDVRZHD-UHFFFAOYSA-N	324.768	1.802	50	20	DDGD	
Cc1cc(C)c(CNC(=O)NNC(=O)c2cnn(C)c2)c(C)c1	117962922	NTKTXICCZWOLCV-UHFFFAOYSA-N	315.377	1.490	50	20	DDGD	
CCCCCC[C@H](C)CC(=O)NNC(=O)C(=O)N1CCCC1	67922664	ASSKANOJPSKQJK-ZDUSSCGKSA-N	311.426	1.753	50	20	DDGD	
CCN1CCC[C@@H]1CNC(=O)NNc1ncnc2ccsc12	119088523	JENBWXKGRMUFGG-SNVBAGLBSA-N	320.422	1.802	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@H]1CCN(C(=O)C2CCCC2)C1	123196442	QZUIFRGFOCPSHY-UELRPHRMSA-N	305.378	1.338	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)C(=O)NNc1ccc2ccccc2n1	181124419	ZLSFLZWPMSFQHY-JTQLQIEISA-N	307.375	1.359	50	20	DDGD	
CN(C)CC(=O)NNC(=O)CCCCCc1ccc(F)cc1	188276957	UBIRVRFNPOSJHI-UHFFFAOYSA-N	309.385	1.638	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)Cc1cc[nH]n1)c1ccccc1F	186153615	QZPWKLIOQXZCST-JTQLQIEISA-N	304.325	1.433	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)C(=O)Nc1cc(Cl)ccc1F	123104818	AKVKVWBGLWIGKJ-UHFFFAOYSA-N	324.699	1.207	50	20	DDGD	
C[C@@H](CCC(=O)NNC(=O)Cc1cc[nH]n1)c1ccccc1	186084309	XHUIIYDKDJTIDZ-LBPRGKRZSA-N	300.362	1.684	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCc2cncn2C)cc1	189855553	CPDLRVHNCFUZRY-UHFFFAOYSA-N	300.362	1.376	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCc2cccs2)cc1O	180980802	HLYLVASKFPWBRP-UHFFFAOYSA-N	319.386	1.949	50	20	DDGD	
C=CCOCCCC(=O)NNc1nc2ccccc2c(=O)[nH]1	137131486	GAJPVLBNTSOSCO-UHFFFAOYSA-N	302.334	1.349	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)CCC3)o1	84461233	XFMKDXFQEFDXHI-UHFFFAOYSA-N	320.370	1.700	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCCc2nc(C)no2)c(O)c1	80388348	VITDQOIMQSTZJL-UHFFFAOYSA-N	318.333	1.176	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C[C@@H]1CCCO1	46764843	SWVRCBQGPZDKQD-QWRGUYRKSA-N	310.325	1.310	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)OCc2ccccc2)o1	84291141	XXFFSPAPAKAESS-GFCCVEGCSA-N	302.330	1.954	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccc(-n2ccnc2)cc1	191889836	YQIUWLNPTKKMGB-UHFFFAOYSA-N	319.328	1.672	50	20	DDGD	
O=C(CC[C@H]1CCCO1)NNC(=O)c1cccc([N+](=O)[O-])c1	46112835	XEPCDWZPLSXVPA-GFCCVEGCSA-N	307.306	1.315	50	20	DDGD	
CCCNC(=O)c1cccc(C(=O)NNC(=O)NC(C)C)c1	132177148	NVOARJWUOSACSA-UHFFFAOYSA-N	306.366	1.179	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC2[C@@H](C)CCC[C@H]2C)n1	86427928	IFRQOXPEBAVXSK-YWXMQNBFSA-N	321.425	1.655	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2cccc3[nH]ccc23)c1	190043485	RUCKRMAAAMURON-UHFFFAOYSA-N	309.329	1.953	50	20	DDGD	
CSCCNC(=S)NNC(=O)/C=C/c1cccc(F)c1	94120861	YKOUFQFHYSXCBX-AATRIKPKSA-N	313.423	1.697	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccccc1O)C1CCOCC1	268600754	UTODAKNCGIEXDC-JTQLQIEISA-N	307.350	1.151	50	20	DDGD	
CSCC[C@@H](N)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	269115518	ZKQYKMAUDLKTTI-MRVPVSSYSA-N	318.786	1.772	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@@](C)(O)c1ccco1	266620497	QWEWUQWSWQDTIU-MRXNPFEDSA-N	317.345	1.440	50	20	DDGD	
CC(C)c1nnc(CCC(=O)NNC(=O)NC2CCCCC2)o1	266961349	ZVARNMPYLGTKQN-UHFFFAOYSA-N	323.397	1.789	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1C[C@H](C)[C@@H](C)C1	268883756	ADZVYMJTKJNHHO-KBPBESRZSA-N	303.406	1.273	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@H]1CC12CCOCC2	365788737	UYAGNXHPOBNFBX-CQSZACIVSA-N	302.374	1.583	50	20	DDGD	
O=C(NNS(=O)(=O)c1cnc2ccsc2c1)C1CCC1	267818506	WKPCCSGFTIRNNK-UHFFFAOYSA-N	311.388	1.406	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12	276705791	JFICLKWAYCVYNL-HZMBPMFUSA-N	306.391	1.287	50	20	DDGD	
Cc1nn(CC(=O)NNC(=O)N(C)C)cc1-c1ccccc1	278053435	UKJTYZLBERZGFD-UHFFFAOYSA-N	301.350	1.161	50	20	DDGD	
O[C@@H]1Cc2ccccc2N(CCI)C1	278863880	LMWKJUSBRCEDLK-SNVBAGLBSA-N	303.143	1.845	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccccc1-n1nccc1C	275970003	BBWNXKXNILVMKR-UHFFFAOYSA-N	316.365	1.879	50	20	DDGD	
CC1CCN(C(=O)C(=O)NNc2nnc(C3CC3)s2)CC1	277918715	INWLSOUPNXDRLQ-UHFFFAOYSA-N	309.395	1.117	50	20	DDGD	
CCOc1cc(C)ccc1NC(=O)C(=O)NNC(=O)CC(C)C	274217587	UPALIWYTKNOFQX-UHFFFAOYSA-N	321.377	1.526	50	20	DDGD	
O=C(NNC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C1CC1	277118292	SEOLDJOHEUFDFT-OAHLLOKOSA-N	317.370	1.173	50	20	DDGD	
CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)N2CC=C(C#N)CC2)C1	272701037	WEBBDNZBKHJWRM-UKRRQHHQSA-N	319.405	1.332	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)COCCCOC)c1	271771265	CSEQJGGYKXTWKP-UHFFFAOYSA-N	321.402	1.039	50	20	DDGD	
CC(C)C[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc[nH]2)CCO1	272161590	XKEYSMILIGNDNV-VXGBXAGGSA-N	308.382	1.552	50	20	DDGD	
COc1ccc2c(c1)[C@@H](NC(=O)NNC(=O)CC(C)C)CCO2	274507030	UKKOFHVZLPGSCH-ZDUSSCGKSA-N	321.377	1.895	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)C1(O)Cc2ccccc2C1	378493984	VXMVUCODFFMBCP-UHFFFAOYSA-N	303.749	1.708	50	20	DDGD	
CC1(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CCCC1	281173969	QXPYCJDDYDERGV-UHFFFAOYSA-N	304.346	1.799	50	20	DDGD	
CSSCCNC(=O)CN(C)C(=O)c1cccs1	283830418	AORZFRRLIZZXKX-UHFFFAOYSA-N	304.462	1.948	50	20	DDGD	
CCc1csc(CC(=O)NNC(=O)NCc2ccco2)n1	283472503	YLLLIVROXAVULW-UHFFFAOYSA-N	308.363	1.372	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C[C@H]1CCCC(=O)N1)c1ccccc1	289537960	CIFVMFZRWHKPMG-KGLIPLIRSA-N	317.389	1.386	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](C)n1ccc2ccccc2c1=O	288582944	SFZBQXCWCYAZCU-NSHDSACASA-N	316.361	1.255	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCCC2(O)CCC2)cc1	287764899	GWXDSSJVQXQUSW-UHFFFAOYSA-N	321.377	1.009	50	20	DDGD	
CCC(=O)N1CC[C@H](NC(=O)/C(C#N)=C\c2ccc(O)cc2)C1	280010640	XHYAMOWRQVGCOY-XXYUJHKVSA-N	313.357	1.426	50	20	DDGD	
O=C(NNC(=O)C1(c2ccc(F)cc2F)CCC1)[C@@H]1CCCO1	294476968	BLSNJBMZKBQAFV-ZDUSSCGKSA-N	324.327	1.713	50	20	DDGD	
CC[C@@H]1CCC[C@H]1C(=O)NNC(=O)COc1ccccc1O	294426227	AAAZZJSPKPKSFN-VXGBXAGGSA-N	306.362	1.745	50	20	DDGD	
O=C(COC1CCCC1)NNC(=O)c1ccc(Cl)cc1O	298929422	HNCBSPQYFZNIHC-UHFFFAOYSA-N	312.753	1.766	50	20	DDGD	
CCc1noc(CC)c1CNC(=O)NNC(=O)[C@@H]1CCCCO1	296630411	ZWXVZMCABZQDKO-ZDUSSCGKSA-N	324.381	1.199	50	20	DDGD	
Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NNC(=O)[C@H](C)O	294265822	GMOZSEIZKNSCLZ-UWVGGRQHSA-N	314.769	1.252	50	20	DDGD	
CCOC1(C(=O)NNC(=O)c2ccccc2OC)CCOCC1	803649788	OTHKZKYSLZNMBF-UHFFFAOYSA-N	322.361	1.042	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N=c2cc[nH]cc2)c(C)n1C(C)C	802033620	GSTKWRPZQNGGDR-UHFFFAOYSA-N	315.377	1.969	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@H]2CSC[C@@H]2C)c1	804867228	LLBNHUZVGIYQFK-AAEUAGOBSA-N	323.418	1.456	50	20	DDGD	
C[C@@H](NC(=O)CC1CCCCC1)C(=O)NNc1ccncn1	295414479	IFRGCKRUNDLJFD-LLVKDONJSA-N	305.382	1.395	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	298659607	OFJUTKUIYPFJJL-OUJBWJOFSA-N	310.325	1.165	50	20	DDGD	
CC(C)(C)c1cnc(CCC(=O)NNC(=O)[C@H]2CCCCO2)o1	295340408	HWPMFUQISYMTEV-LLVKDONJSA-N	323.393	1.621	50	20	DDGD	
Cc1ccc2c(c1C)OC[C@@H]2NC(=O)NNC(=O)[C@@H]1CCCO1	291867382	NJANBOPUULJIDZ-STQMWFEESA-N	319.361	1.246	50	20	DDGD	
CCOc1ccc(NNC(=O)CCC(=O)c2cnn(C)c2)cc1	294293728	JRXHKDLQJFHGPK-UHFFFAOYSA-N	316.361	1.925	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)COCc1ccccc1)C(C)(F)F	293186385	PBUNFHCAHIBCIB-JTQLQIEISA-N	300.305	1.642	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCCO[C@H]2CCOC2)cc1	297968529	NOOSZERMPYZOFG-HNNXBMFYSA-N	323.393	1.907	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC2CC2)c2c(C(C)C)noc2n1	299232040	JRYXHCYCVPOZIJ-UHFFFAOYSA-N	317.349	1.761	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)cccc1[N+](=O)[O-]	291417273	YMOHETGHBKCMKB-COPLHBTASA-N	321.333	1.398	50	20	DDGD	
COCCO[C@@H]1CCCN(C(=O)NNC(=O)C2CCCC2)C1	801055815	SYAIKUNQPXSEKV-CYBMUJFWSA-N	313.398	1.045	50	20	DDGD	
COc1cccc(CCCNC(=O)NNc2ncncc2F)c1	292831430	XXFBGPBMJYRJQV-UHFFFAOYSA-N	319.340	1.883	50	20	DDGD	
CCCN(CC)C[C@H](C)NC(=O)NNC(=O)CC(F)(F)F	812701410	QHGPNJZWLSKWPZ-VIFPVBQESA-N	312.336	1.390	50	20	DDGD	
Nc1c(C(=O)NNc2ncccc2F)cnn1-c1ccccn1	816640896	AKWFUOQRKJBWFI-UHFFFAOYSA-N	313.296	1.141	50	20	DDGD	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NNc1nc[nH]n1	816634507	LCRCEYKMSSZJJF-SSDOTTSWSA-N	308.323	1.337	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](CC(F)(F)F)C1	817282285	YGHFPHHZEPLHSL-ZJUUUORDSA-N	309.332	1.597	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2cc(Cl)nc(Cl)c2)CC1	819747015	JGUJBMHQDXZXSF-UHFFFAOYSA-N	324.189	1.409	50	20	DDGD	
O=C(NN=Cc1c[nH]c(C(=O)O)c1)Nc1ccc2c(c1)OCO2	814993084	ODQZFCANXQUCCT-UHFFFAOYSA-N	316.273	1.597	50	20	DDGD	
CC[C@H]1CN([C@@H](C)C(=O)NNC(=O)CC(C)C)C[C@@H](CC)O1	817280396	DXVSWFWWJYWLCL-MELADBBJSA-N	313.442	1.458	50	20	DDGD	
CN(C)c1ccc(NC(=O)NN=C2CCS(=O)(=O)CC2)cc1	814856110	BNIGEJIINMLUEV-UHFFFAOYSA-N	324.406	1.439	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C1CCCc2occc21	814873862	UCHLUBGBACUEGP-UHFFFAOYSA-N	312.329	1.261	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@H]1CCc2nncn2C1	816663977	QDIWKOLFRICGLZ-NSHDSACASA-N	313.365	1.041	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21	829566047	PZQWYRHSUQLGEG-FOLVSLTJSA-N	301.390	1.988	50	20	DDGD	
Cc1nn(C)c(Cl)c1C(=O)NNC(=O)c1cccc(C#N)c1	728828421	QGNSFYITOCGPJT-UHFFFAOYSA-N	317.736	1.328	50	20	DDGD	
CC1(C)C(C(=O)NNc2cccc(-c3nn[nH]n3)c2)C1(C)C	824783293	FGVRHJMITNPXLH-UHFFFAOYSA-N	300.366	1.992	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(C)c(N(C)C)cc1C#N	495986763	DPWMDCWCPMTRRK-UHFFFAOYSA-N	305.338	1.715	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCCCCCN1CCCC1	496597317	VIXPNXZHJBNSHD-UHFFFAOYSA-N	314.430	1.991	50	20	DDGD	
N#CCOc1cccc(/C=C(\C#N)C(=O)N=c2cc[nH]cc2)c1	490811481	GABCUDBXFCVXSG-GXDHUFHOSA-N	304.309	1.952	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)Cc1c(C)n[nH]c1C	822728221	PUYJBLNAHYMMOD-UHFFFAOYSA-N	320.324	1.638	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1ccc(C(=O)OC)cc1F)C(C)C	491265809	MRYZMHIIGLARNY-GFCCVEGCSA-N	307.325	1.896	50	20	DDGD	
COCc1ccc(C=NNC(=O)CNC(=O)OC(C)(C)C)cc1	494726394	NKRKWMDAMLMJTB-UHFFFAOYSA-N	321.377	1.808	50	20	DDGD	
CCc1cc(C(=O)NNc2ccccc2S(C)(=O)=O)n(C)n1	821026610	ZTKBSNCGJNYBIZ-UHFFFAOYSA-N	322.390	1.143	50	20	DDGD	
CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCOC1	823953911	VDELKQWOQVPAOL-CYBMUJFWSA-N	314.349	1.399	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)CC(F)(F)F)CCOc2ccccc21	823368254	HSOOMDHLEPVYEL-CYBMUJFWSA-N	316.279	1.827	50	20	DDGD	
COc1cc2c(cc1/C=C(\C#N)C(=O)N1CCCC1)OCO2	490878582	OQAAUOYSHDABPD-WUXMJOGZSA-N	300.314	1.953	50	20	DDGD	
COC(=O)N(C)NC(=O)c1c(Cl)cccc1S(C)(=O)=O	495764379	WFQPJUZBTKQJRZ-UHFFFAOYSA-N	320.754	1.087	50	20	DDGD	
Cc1nn(CC(F)F)cc1C(=O)NNC(=O)CC(F)(F)F	823368264	HWESGHQJZQHJCZ-UHFFFAOYSA-N	314.214	1.170	50	20	DDGD	
C[C@H](CC(=O)O)C(=O)NNC(=S)Nc1cccc(Cl)c1	827303735	ISHVLEZIMNLPDV-SSDOTTSWSA-N	315.782	1.768	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(C)n(-c2ccccc2)n1	494485162	JXCJEQYERBLKAG-UHFFFAOYSA-N	303.322	1.963	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2nn[nH]n2)cs1)c1ccccc1	823277837	YCWVMAZSPFZSPE-UHFFFAOYSA-N	314.330	1.003	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cccc(OC[C@H]2CCCO2)c1	823976487	DYFQPESEYKWWRA-SWLSCSKDSA-N	308.378	1.202	50	20	DDGD	
CCc1ccc(CN(C(=O)c2ccc(B(O)O)cc2)C2CC2)cc1	584928742	VVVNVEIHLPPULL-UHFFFAOYSA-N	323.201	1.734	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)OC(C)(C)C)c1nccn1C	494300219	RFAMUHPACNGHAC-UHFFFAOYSA-N	323.397	1.565	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CC=CCC1	823912331	CHJIADPUUTVWHS-BLLLJJGKSA-N	312.410	1.398	50	20	DDGD	
O=C(/C=C/c1cncc(F)c1)NNC(=O)NCC(F)(F)F	492364568	JIRCQBOBFYZVEL-OWOJBTEDSA-N	306.219	1.127	50	20	DDGD	
CCC[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccccn1	825916293	FHXGNEZATMIXES-SCRDCRAPSA-N	320.393	1.678	50	20	DDGD	
CCN(CCO)NC(=O)c1cccc(OC[C@H]2CCCO2)c1	823841049	BFKRYHNYZQLIST-OAHLLOKOSA-N	308.378	1.203	50	20	DDGD	
CO[C@@H](CNC(=O)/C(C#N)=C/c1cnn(C)c1)Cc1ccccc1	491102848	JFMKDHHPQKWTBL-QLGNDSFESA-N	324.384	1.701	50	20	DDGD	
CC1(C)CCc2sc(CNCc3ccc(B(O)O)o3)cc2C1	585027085	VYEKDIYNDJYUHR-UHFFFAOYSA-N	319.235	1.826	50	20	DDGD	
CCCCN(CCCC)C(=O)COc1ccc(B(O)O)cc1	584909547	MPJQTXDPNUCYSM-UHFFFAOYSA-N	307.199	1.174	50	20	DDGD	
COc1ccnc(C(=O)NNC(=O)c2cc(Cl)ccc2O)c1	734862578	LPDDAZHPCANDRS-UHFFFAOYSA-N	321.720	1.524	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C1(CNC(=O)OC(C)(C)C)CC1	495352734	OBUKAWACSKZPGY-UHFFFAOYSA-N	313.398	1.485	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C(C)(C)NC(=O)O)c1ccccc1	736848127	MPCDPCAZLQFSNS-LLVKDONJSA-N	307.350	1.374	50	20	DDGD	
N#Cc1cccc(C(=O)NN[C@@H](C(=O)O)c2ccc(F)cc2)c1	739132951	XEXOEVKNUPNTKW-CQSZACIVSA-N	313.288	1.758	50	20	DDGD	
CN(C)C1(CNC(=O)/C(C#N)=C\c2cnn(C)c2)CCCCC1	491050789	QUAVIJGZCIDGJJ-DHDCSXOGSA-N	315.421	1.708	50	20	DDGD	
CCOC(=O)NN=C1CCS(=O)(=O)c2cc(F)c(F)cc21	491318828	FJRMYJWERXVWNE-UHFFFAOYSA-N	318.301	1.592	50	20	DDGD	
C[C@H]1CC(=NNC(=O)[C@@H](C)CN2C[C@H](C)O[C@H](C)C2)[C@H](C)O1	834934543	NNIQYWKVLOLLAP-YHQUGGNUSA-N	311.426	1.401	50	20	DDGD	
Cc1cc(NNC(=O)C2CCN(CC(F)(F)F)CC2)ncn1	734255693	VOFYTQADYFWAAL-UHFFFAOYSA-N	317.315	1.502	50	20	DDGD	
C[C@H](CC(=O)N1CC[C@@H](B(O)O)C1)C(=O)c1cccc(F)c1	585064930	CBGOXUGCUCFPPB-ZYHUDNBSSA-N	307.130	1.110	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NC[C@@H]2CCCS2)cc1	836357942	MIKNWARVSCVOML-LBPRGKRZSA-N	324.406	1.927	50	20	DDGD	
CCCCN1CCCC[C@H]1CNC(=O)NNc1ccncn1	836291041	SYSCNWBVJGXHRT-ZDUSSCGKSA-N	306.414	1.757	50	20	DDGD	
C[C@H]1CC[C@H](CNC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)O1	838739215	JGNCLMAWFMHQEJ-JOYOIKCWSA-N	322.321	1.106	50	20	DDGD	
CCOC(=O)c1csc(/C(C#N)=C/c2cnn(CC)n2)n1	901466130	XFSCHEPORXIPDP-WEVVVXLNSA-N	303.347	1.995	50	20	DDGD	
CC(C(=O)OCC(=O)NNC(=O)c1cccs1)=C1CCC1	838234002	SRVRNMUZENHQPI-UHFFFAOYSA-N	308.359	1.553	50	20	DDGD	
CCOc1ccc(NNC(=O)NC[C@H]2COC(C)(C)O2)cc1	838541548	DFSVMPDJAGSWIK-ZDUSSCGKSA-N	309.366	1.863	50	20	DDGD	
O=C(NNC(=O)c1ccc2[nH]ccc2n1)NC1CCCCC1	905104328	RHWKGDATMNGZGK-UHFFFAOYSA-N	301.350	1.840	50	20	DDGD	
Cc1cc(C)c2c(c1)C(=NNC(=O)[C@H]1CCCCO1)C(=O)N2	834989351	GSNDVPHSPKOWRG-GFCCVEGCSA-N	301.346	1.645	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)ccc1F	909278304	WWSJMIHZYUQELQ-ZEGGKSINSA-N	306.293	1.281	50	20	DDGD	
CC(C)CN1C[C@H](C(=O)NNc2ccc(Cl)nn2)CC1=O	735689114	KSTXKBFRKWNHRU-SECBINFHSA-N	311.773	1.078	50	20	DDGD	
O=C(NNc1cnccn1)[C@H](CN1CCCC1)c1ccccc1	832395854	VQQPRNMAQDSPGS-OAHLLOKOSA-N	311.389	1.799	50	20	DDGD	
C[C@]1(C(=O)NCC2(S(C)(=O)=O)CCC2)C[C@@H]1Br	907884917	GYRWNTWVJNENDN-WPRPVWTQSA-N	324.240	1.243	50	20	DDGD	
CCOCCC1(C(=O)Nc2cccc(B(O)O)c2)CCCC1	584913201	QVPIVDWFKFHUGL-UHFFFAOYSA-N	305.183	1.292	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1C[C@H]1CC(C)C	837973762	HIZAPSOCSYVEJK-JHJVBQTASA-N	312.410	1.794	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1CCc2c(Cl)cccc21	585020067	NHHNSZXYYPNLMV-MRXNPFEDSA-N	301.582	1.797	50	20	DDGD	
C=CC(=O)N(CC)CC(=O)NNC(=O)[C@H](CC)c1ccccc1	900656139	PRJHELNAMSYZLA-CQSZACIVSA-N	317.389	1.362	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)c1	837310746	HSVHCQAFMZMWMH-IACUBPJLSA-N	316.357	1.136	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)Nc1ccc(OC)cc1)C(C)C	836323004	XYIWSZKYUWCKAN-CYBMUJFWSA-N	324.381	1.702	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	831046973	JNQRTXIMBGOCGD-GWCFXTLKSA-N	307.350	1.663	50	20	DDGD	
Cc1ccc(SCCNCc2ccccc2B(O)O)cc1	585017387	WEUNYHOTFGMRDF-UHFFFAOYSA-N	301.220	1.557	50	20	DDGD	
O=C(CCOC[C@H]1CCCO1)NNC(=O)NC1CCCCC1	916106946	KYFXCRXTTLUUKT-CYBMUJFWSA-N	313.398	1.235	50	20	DDGD	
Cc1cc(C(=O)NCC(Cl)Cl)ccc1S(N)(=O)=O	837649745	UEISCWUVXIABBJ-UHFFFAOYSA-N	311.190	1.176	50	20	DDGD	
CO[C@H]1CC(=NNC(=O)c2cncc(NC(C)=O)c2)C12CCC2	834964631	FLJRZQYOSSCGRU-AWEZNQCLSA-N	316.361	1.715	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)N[C@@H]1C[C@H]2CCCCN2C1=O	838741310	GIBQQHGIHAKUIT-GHMZBOCLSA-N	323.784	1.515	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccccc1NCc1cccnc1	910150931	XEOXEJQUIJSWMN-CYBMUJFWSA-N	314.389	1.651	50	20	DDGD	
CN(C)CCCCC(=O)NNC(=O)c1ccc(Cl)cc1F	747430735	DIEXZOXLHGDNLS-UHFFFAOYSA-N	315.776	1.972	50	20	DDGD	
C[C@@H](Cc1ccc(O)cc1)NC(=O)NNC(=O)CC(F)(F)F	919912418	GVJHPVPOAWEPRX-QMMMGPOBSA-N	319.283	1.606	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N[C@@H](CN)C1CC1)c1ccccc1	841945575	SARYVDUSNCUNOT-KGLIPLIRSA-N	304.394	1.248	50	20	DDGD	
O=C(NN=Cc1ccsc1)C(=O)NN=Cc1ccsc1	916266405	SLWIWNWCPSYJAU-UHFFFAOYSA-N	306.372	1.410	50	20	DDGD	
CCC(O)(CC)C(C)(C)CNS(=O)(=O)CBr	849424469	ZSPHOTSGJFQEHB-UHFFFAOYSA-N	316.261	1.836	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1cccc2c1OCO2	915954610	HFVYIWHEGXMUER-ZDUSSCGKSA-N	317.389	1.987	50	20	DDGD	
Cc1nn(C(C)C)cc1C(=O)NNc1ccnc(N(C)C)n1	848370933	DIRXTLYIEDOHMZ-UHFFFAOYSA-N	303.370	1.385	50	20	DDGD	
CC(C)C(=O)NNC(=O)C[C@H](C)n1cc(Br)cn1	843756455	YITHSNCWRVVJMI-QMMMGPOBSA-N	317.187	1.400	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(N2C(=O)CCC2=O)cc1	918585112	ZFSJEDPQLXESGE-UHFFFAOYSA-N	317.345	1.147	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NC[C@@H]1CCCNC1	841924139	UQZGXYVBZVSQIH-OAHLLOKOSA-N	318.421	1.339	50	20	DDGD	
Cc1nc2c(cnn2C(C)C)cc1C(=O)NN(C)C[C@@H](C)O	910179356	LIKAXWCWXACSBE-SNVBAGLBSA-N	305.382	1.278	50	20	DDGD	
COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)NCCCSC#N	916985501	FSUAAGVEURXNBW-WDEREUQCSA-N	320.436	1.242	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H](C)c1ccccc1	746368996	KYCFAUIPAXIDPY-RISCZKNCSA-N	308.403	1.717	50	20	DDGD	
O=C(NNC(=O)c1ccc2cnccc2n1)NC1CCCCC1	840237861	QWVRDDQSIPUPDW-UHFFFAOYSA-N	313.361	1.907	50	20	DDGD	
C[C@H]1CCc2[nH]nc(C(=O)NNC(=S)N[C@H](C)C3CC3)c2C1	912162500	WVDFDLPAWRLWSP-DTWKUNHWSA-N	321.450	1.442	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(C#N)cc2)CS1	840417885	RFYKHWOXJUTOIP-JOYOIKCWSA-N	304.375	1.396	50	20	DDGD	
O=C(NC[C@H]1CNCCO1)[C@@]12CC[C@@H](C[C@H]1Br)C2	846682140	MBNUVTNDLSIWHS-SBFPOUOMSA-N	317.227	1.045	50	20	DDGD	
C[C@H](CO)C1CCN(C(=O)/C(C#N)=C/c2cnn(C)c2)CC1	846471570	PZHUGBYXDWGSBS-IWTIEGKHSA-N	302.378	1.194	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(-c2ccco2)on1	843971295	BVBLLEMYZBLFND-RKDXNWHRSA-N	305.290	1.121	50	20	DDGD	
Cc1csc(CC(=O)NNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)n1	747765838	FLPZQEHCEPAVTM-GARJFASQSA-N	324.475	1.678	50	20	DDGD	
O=C(NCC[C@@H]1CCNC1)NNC(=O)c1ccc(Cl)cc1	841938470	MUJCJBAJAVELEX-JTQLQIEISA-N	310.785	1.284	50	20	DDGD	
Cc1nn(C)c(C(=O)NNc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-]	747986320	PJGFAYOPNFSCHZ-UHFFFAOYSA-N	320.265	1.302	50	20	DDGD	
C=CCOc1ccccc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843640596	CUZYMMPRVHAKJV-NWDGAFQWSA-N	304.346	1.437	50	20	DDGD	
Cc1ccc(C)c2c1NC(=O)C2=NNC(=O)[C@H]1CCO[C@H]1C	842560336	XCKGTFIOQVESGO-QWRGUYRKSA-N	301.346	1.501	50	20	DDGD	
Cc1ccc2c(c1)CCC2=NNC(=O)C(=O)Nc1ccccn1	758391245	YNCGNBRLXGPIIO-UHFFFAOYSA-N	308.341	1.795	50	20	DDGD	
Cc1nn(C)cc1C=NNC(=O)[C@@H](C)CN1CCCCCC1	755586878	DNUSYIXJBSMBPH-ZDUSSCGKSA-N	305.426	1.691	50	20	DDGD	
CCSc1ccccc1C(=O)NNC(=O)Cc1cc[nH]n1	755285002	KSTCLDLETYIRRX-UHFFFAOYSA-N	304.375	1.525	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=O)c2ccc(C#N)cc2)C1	857853587	DWCZIKZKMYSYIV-QMTHXVAHSA-N	323.356	1.408	50	20	DDGD	
C[C@]1(CNC(=O)NCCC[C@@H]2CCCN2)C[C@@H]1Br	857106530	QVXOEGBLFSRXQG-GMXVVIOVSA-N	318.259	1.991	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@@H]2C)c1	858128011	XYDLOQIECBNPDH-QCQGSNGOSA-N	320.389	1.581	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)Cn1ccc2ccccc21	755292789	PXYPFGRXSSCPRE-LBPRGKRZSA-N	303.362	1.461	50	20	DDGD	
CCC[C@H](O)CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	750051526	JQRFTYOLUUNHFD-ZZTKBFGJSA-N	308.422	1.901	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)c2cnccn2)C[C@H]1C	758098457	ROKNDLAIZWLPGB-PWSUYJOCSA-N	304.350	1.562	50	20	DDGD	
COCCOc1ccc(Cl)cc1C(=O)NNc1ccncn1	857520659	HXFJMLJEYMNISH-UHFFFAOYSA-N	322.752	1.912	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)C[C@@](C)(O)c1ccccc1)C1CC1	855099885	PUAOUUKKAQIKKE-MEDUHNTESA-N	321.446	1.578	50	20	DDGD	
CC(C)N1CCN(C(=O)NC[C@@]2(C)C[C@@H]2Br)CC1	856951119	POGXICDMDPTNLI-WCQYABFASA-N	318.259	1.896	50	20	DDGD	
CCCn1nccc1C=NNC(=O)CNC(=O)c1cccs1	853299346	OQGMDGOZQRZDGV-UHFFFAOYSA-N	319.390	1.235	50	20	DDGD	
COCCN(CC(=O)N(C)C)C[C@@H](CBr)C1CC1	859076244	CXQMCDZYUAFPOY-GFCCVEGCSA-N	321.259	1.444	50	20	DDGD	
Cn1cc(C=NNC(=O)c2cc(-c3cccs3)[nH]n2)nn1	755788684	CTKWOOKNMNKRQI-UHFFFAOYSA-N	301.335	1.031	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccn(CC(F)F)n1	855089744	DWXCDDWSTDSJJF-UHFFFAOYSA-N	317.365	1.057	50	20	DDGD	
CN1CC[C@@H](C(=O)NNC(=O)CC(F)(F)F)c2ccccc21	750793559	HTIUWHGOPILIPF-SNVBAGLBSA-N	315.295	1.710	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1cc(F)cc(F)c1O	757460783	ZKXMPOPRSOVEEJ-UHFFFAOYSA-N	311.288	1.133	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)[C@H](C)N1C(=O)CCC1=O	928336574	UIXJJFXVNFLYQT-VIFPVBQESA-N	309.753	1.629	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(OC)ccc1OCC	756428603	ACTJYGFCLAMPJE-UHFFFAOYSA-N	311.338	1.283	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)O)CCC1=NNC(=O)c1cccc(C(=O)O)c1	853426481	NBPTYONDRSEOCD-BXKDBHETSA-N	318.329	1.991	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)ccc1O)Nc1cccnn1	757661080	LRPVSTMFAHQION-UHFFFAOYSA-N	307.697	1.302	50	20	DDGD	
CS(=O)(=O)CC1(CC(=O)NNc2ccc(Cl)cn2)CC1	856093758	ZYRGEUZIPDNLIP-UHFFFAOYSA-N	317.798	1.393	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN[C@H]2CCCC2(C)C)c1	755055259	KJALXONIQJLPMA-AWEZNQCLSA-N	303.406	1.924	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccnc(O[C@@H]2CCOC2)c1	754106363	YFENQWLHNCSJPG-CYBMUJFWSA-N	319.361	1.201	50	20	DDGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(F)cc1)[C@H]1CN(C)CCO1	752618600	MSINANVSWGDFIZ-HZNNPKNDSA-N	317.364	1.568	50	20	DDGD	
CNC(=O)C[C@@H](C)NC(=O)NNc1cc(F)cc(Cl)c1	854116303	FMNHIZSYUDQHNB-SSDOTTSWSA-N	302.737	1.630	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@@H]2C1	852030298	DORWOGWLIDCQEZ-CHWSQXEVSA-N	303.362	1.538	50	20	DDGD	
O=C(NNC(=O)c1cc(Br)c[nH]1)N[C@H]1C=CCC1	851918246	ZKKVNTPPPLPZFE-QMMMGPOBSA-N	313.155	1.440	50	20	DDGD	
CCn1ccnc1C=NNC(=O)Cc1nc2ccccc2n1C	755536339	NLZQWRRHSDKNDU-UHFFFAOYSA-N	310.361	1.483	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1ccccc1C)[C@H]1CCCO1	756049665	FJRPHDOBDRVRHU-ZIAGYGMSSA-N	305.378	1.897	50	20	DDGD	
CC(=O)Nc1cccc(/C=C(/C#N)S(=O)(=O)NC2CC2)c1	865223457	IOUGVHPGDJQQCQ-ZSOIEALJSA-N	305.359	1.591	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1cccc2[nH]ccc12	868736087	LKXLXJDMYZUMMN-ZYHUDNBSSA-N	316.361	1.423	50	20	DDGD	
CC[C@@H](C)n1ncc(NC(=O)NNC(=O)c2cn[nH]c2)c1C	861014217	FJZOYTLEAONGFV-MRVPVSSYSA-N	305.342	1.352	50	20	DDGD	
Cc1ncc(-c2ccc(NCc3ccc(B(O)O)cc3)cc2)o1	864025036	LNJZJENGNPSSON-UHFFFAOYSA-N	308.146	1.942	50	20	DDGD	
Cn1nnnc1COC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	869462496	UYEILEPCCAJCIL-VAOFZXAKSA-N	315.171	1.207	50	20	DDGD	
CSCC1CCN(CC(=O)NNC(=O)c2ccccc2)CC1	932590425	ZGQUBYUHTKFLIB-UHFFFAOYSA-N	321.446	1.523	50	20	DDGD	
COC[C@@](C)(NC(=O)NNc1ccc(F)cn1)C(F)(F)F	932322822	YTLVAZRZBXBRAY-SNVBAGLBSA-N	310.251	1.814	50	20	DDGD	
O=C(NN=C1CCS(=O)CC1)c1ccc(O)c(Cl)c1	761810016	PXSIPCGKZLVMMU-UHFFFAOYSA-N	300.767	1.674	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2nc3ccc(F)cc3s2)cn1	761814554	CPYSYUHEFBEYBC-UHFFFAOYSA-N	303.322	1.933	50	20	DDGD	
CCn1cc(C=NNC(=O)CS(C)(=O)=O)c2ccccc21	863188475	WFFDJGGARUYPLE-UHFFFAOYSA-N	307.375	1.156	50	20	DDGD	
O=C(CCc1cccc(C(F)(F)F)c1)N1CC[C@@H](B(O)O)C1	864230977	HTCFAKPZGNCCHF-GFCCVEGCSA-N	315.100	1.713	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)ccc1Cl	861201756	FGFVYCVZVDDWFR-SNVBAGLBSA-N	310.741	1.080	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)C(C)(C)c2ccccc2)c1C	865630310	JRBYHZTZTUKFMX-UHFFFAOYSA-N	314.389	1.950	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)C1CCCC1)c1ccncc1	768984412	DWBRJHYDBNHWKK-UHFFFAOYSA-N	304.394	1.880	50	20	DDGD	
C/C(=C/c1ccc(Br)o1)C(=O)NNC(=O)N(C)C	865047468	NOUFSBRBWZHWRE-SREVYHEPSA-N	316.155	1.748	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1ccnc(C2CC2)n1	863095242	BNFTWGANFMOBGF-UHFFFAOYSA-N	310.226	1.786	50	20	DDGD	
CC(C)(C)C(=O)Cn1cc(C(=O)N2CC=C(C#N)CC2)nn1	767177756	MWLWXKYXYSTJRN-UHFFFAOYSA-N	301.350	1.189	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)C1SCCS1	761952449	HWBQHTOEQIBQJF-UHFFFAOYSA-N	318.445	1.339	50	20	DDGD	
O=C(CCl)Nc1ccc2nc(CCN3CCOCC3)[nH]c2c1	1116437944	WJXFQBNVGOPLIB-UHFFFAOYSA-N	322.796	1.615	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1cc(-c2ccccc2)on1	768408961	DAJAAZYMXLJIRY-UHFFFAOYSA-N	302.334	1.577	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)C(=O)NN=C1CCC[C@@H]1F	872361510	FCPZLRXMPGVCEM-NSHDSACASA-N	311.744	1.950	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1CCCC1	778443436	RHYPNIIJHHKGGJ-SNVBAGLBSA-N	313.398	1.485	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1NC(=O)NNc1ncccn1	775406669	TWARDCIBUSUOBO-UHFFFAOYSA-N	304.266	1.542	50	20	DDGD	
CCc1ccnc(C(=O)NNC(=O)COc2ccccc2O)c1	775161425	RTTSBDVMYLJNIU-UHFFFAOYSA-N	315.329	1.190	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(c2cccc(C)c2)CC1	772042012	ONUWXMCCHMJLKV-GFCCVEGCSA-N	318.373	1.516	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nnn(C)n2)c1C	770019825	GAIOSQDOGMVNEU-JYRVWZFOSA-N	313.365	1.584	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cc(C(N)=O)ccc2C)n1	775581378	ODKPPFKMTRVFQH-UHFFFAOYSA-N	316.321	1.041	50	20	DDGD	
O=C(NCc1nnnn1CC1CC1)NNc1ccccc1Cl	771376979	ZVZHJUFMUMSLHK-UHFFFAOYSA-N	321.772	1.563	50	20	DDGD	
C[C@@H](CBr)COC(=O)[C@H]1CCCN(C(N)=O)C1	770317973	LRMZINCNSFWKFA-IUCAKERBSA-N	307.188	1.351	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCC(F)F	879759644	VKARMCOAWJJSNB-ZETCQYMHSA-N	305.256	1.189	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1cocn1	772963397	JQTVGGCPAROSBO-QMMMGPOBSA-N	309.709	1.557	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1c(Cl)cccc1Cl)N(C)C	874329391	QPSPJINWSSIUMK-SSDOTTSWSA-N	304.177	1.705	50	20	DDGD	
COCc1ccc(S(=O)(=O)NNC(=O)c2ccc(C)o2)cc1	774620142	JIZNGBUCZQDNPA-UHFFFAOYSA-N	324.358	1.358	50	20	DDGD	
CON=CC(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1	774331381	ZISKBXZPLDPTHT-LLVKDONJSA-N	315.329	1.387	50	20	DDGD	
Cc1ccc(C(=O)NNc2nc(O)c3cnn(C)c3n2)c(C)c1	770979852	MHLWJMGUIKWYLY-UHFFFAOYSA-N	312.333	1.443	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@]12CCc1ccccc12)c1cccnn1	882059405	WISXFOXTEKAMJK-GUYCJALGSA-N	308.341	1.142	50	20	DDGD	
CCN(CC)C(=O)CNC(=O)NNc1c(F)cccc1Cl	771311760	TXBCQKSUMKLJSN-UHFFFAOYSA-N	316.764	1.974	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@H]2CC[C@@H](C)C2)c1	776452639	IRBFEVOWGIBFMM-NEPJUHHUSA-N	305.378	1.691	50	20	DDGD	
CN1CCCC[C@@H]1CNC(=O)NC[C@]1(C)C[C@H]1Br	1121992412	IVXGALWEMARVIG-WZRBSPASSA-N	318.259	1.943	50	20	DDGD	
COc1ccc(NC(=O)NNc2nccc(OC)n2)c(C)c1	775593932	LKYZTZLOXDHPFY-UHFFFAOYSA-N	303.322	1.951	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCCCl)C(=O)Nc1ccccc1	881884808	YZSBQAQPKPEXBV-SNVBAGLBSA-N	304.799	1.562	50	20	DDGD	
CCCCn1nccc1NC(=O)C(=O)NNc1ccccn1	784795482	ZWIXPMRRXWNLSX-UHFFFAOYSA-N	302.338	1.160	50	20	DDGD	
CO[C@@]1(C)C[C@H](NC(=O)NNc2ncncc2Cl)C1(C)C	780998466	LEJGFARTFNHDNC-ZANVPECISA-N	313.789	1.960	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1cc(N2CCNC2=O)ccc1C	787694051	NUZXUFRFQIHZIY-BENRWUELSA-N	314.345	1.907	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)C(=O)NNc1c(F)cc(F)cc1F	885152209	YELQCBKSFBGCKK-LURJTMIESA-N	310.297	1.228	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC(=O)c2cccn21)NC1CCCCC1	788724022	CCOGCLZQHXFWKD-CYBMUJFWSA-N	318.377	1.669	50	20	DDGD	
Cc1cc2ccc(C(=O)NNC(=O)C3CCOCC3)cn2c1	883069498	LHCJZDKNWOWCHV-UHFFFAOYSA-N	301.346	1.435	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H]2CCN3CCCC[C@@H]23)n1	780005151	DHADKDSTAWOMOF-RYUDHWBXSA-N	305.382	1.343	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@H](C)C[C@@H]1[C@@H](C)O	785545110	DISFLIQIVCBSFH-IGQOVBAYSA-N	313.442	1.050	50	20	DDGD	
N#CC1=CCN(C(=O)c2ccccc2SCC(N)=O)CC1	780690451	VIKPMDCTCCYCDW-UHFFFAOYSA-N	301.371	1.560	50	20	DDGD	
CCO[C@H]1C[C@@H](N(C)S(=O)(=O)CBr)C1(C)C	782452514	CNEDKIUIVXJFCM-BDAKNGLRSA-N	314.245	1.804	50	20	DDGD	
CC(=O)NNC(=S)Nc1ccccc1OCC(F)(F)F	899440996	XHQOEXBOHDYKHC-UHFFFAOYSA-N	307.297	1.965	50	20	DDGD	
O=C(CC1CCC2(CC1)OCCO2)NNC(=O)C1CCCC1	788093126	YBRGYTYMUPIOSW-UHFFFAOYSA-N	310.394	1.647	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2sc(C)nc2C)n1	896797102	GXOUOQLAUSHWQX-UHFFFAOYSA-N	307.379	1.553	50	20	DDGD	
O=C(CNC(=O)Nc1ccccc1)NNc1ccnc(F)c1	781359517	SZSIIHRNISNOFZ-UHFFFAOYSA-N	303.297	1.486	50	20	DDGD	
C[C@H](C(=O)N1CC=C(C#N)CC1)c1ccc(S(C)(=O)=O)cc1	780686548	BOCJHZONBYEIKE-LBPRGKRZSA-N	318.398	1.876	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2cc(F)c(F)cc2F)on1	781424738	BZIMEDATVBVISK-UHFFFAOYSA-N	315.207	1.635	50	20	DDGD	
CN1CCC[C@@H]1c1cc(C(=O)NNc2cccnc2Cl)n[nH]1	896903684	JFAWPMXQHGIUCZ-GFCCVEGCSA-N	320.784	1.982	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C1CCC(NC(=O)C2CC2)CC1	792946565	QBWJLXJNIZMIIA-UHFFFAOYSA-N	309.410	1.265	50	20	DDGD	
CC[C@H](C)n1ncc(NC(=O)NNC(=O)c2c[nH]nc2C)c1C	792481341	IUESWNFLADXANA-QMMMGPOBSA-N	319.369	1.661	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1F)c1ccnc(O)c1	790287048	BAXMMIOEZYKXJV-UHFFFAOYSA-N	303.293	1.846	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccc(C)n2)c(F)c1	794084851	WUXFTFGLACLUSL-UHFFFAOYSA-N	303.293	1.613	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C(C)c1cc(C)on1	790288655	TVWPEBZVKBHDRR-UHFFFAOYSA-N	303.318	1.911	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1cccc(C)n1)[C@H]1CCCO1	793018050	VDJCNLBUZFAVQO-WCQYABFASA-N	306.366	1.292	50	20	DDGD	
COc1ccccc1NC(=O)C(=O)NNc1ncccc1C	792376562	WYRPUSUHPBRHGQ-UHFFFAOYSA-N	300.318	1.480	50	20	DDGD	
C=C(CBr)COC(=O)c1cc(C(=O)OC)no1	795582911	LMHKGSPESPNLJU-UHFFFAOYSA-N	304.096	1.569	50	20	DDGD	
Cc1cccc(CCNC(=O)NNC(=O)c2ccccc2C)n1	792238654	VAYRMRWAKCIUQA-UHFFFAOYSA-N	312.373	1.885	50	20	DDGD	
C#CCOc1ccc(/C=C(\C#N)S(N)(=O)=O)cc1OCC	799894465	VWWFMNGHCQUJNV-XYOKQWHBSA-N	306.343	1.250	50	20	DDGD	
CCS(=O)(=O)C[C@H](C)N(C)C[C@@H](C)CBr	133788861	WZNLSRCTOJKMGY-UWVGGRQHSA-N	300.262	1.772	50	20	DDGD	
C[C@@H]1CCSCCN1CC(=O)NNC(=O)c1cccs1	794570779	OYZXCWNDSVNAKY-SNVBAGLBSA-N	313.448	1.337	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1cc(C(F)F)ccc1Cl	1323103522	BKKZKMXSLARITQ-UHFFFAOYSA-N	307.684	1.813	50	20	DDGD	
C=C[C@H](COC)NC(=O)NNc1cc(C(F)(F)F)ccn1	1328120398	FWDFAXIQYVYHMT-SECBINFHSA-N	304.272	1.928	50	20	DDGD	
CC(C)(C=NNC(=O)Cc1ccccc1F)S(C)(=O)=O	1324430235	YSLOPKCOAFWTGQ-UHFFFAOYSA-N	300.355	1.293	50	20	DDGD	
Cc1cc(Cl)cc(C)c1NC(=O)C(=O)NNC(=O)CC1CC1	1320391704	PMXNDDFIMCAJQO-UHFFFAOYSA-N	323.780	1.843	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1CCCCN1Cc1ccncc1	1324970907	ZJSUIYAHFVLOCK-OAHLLOKOSA-N	306.410	1.046	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1	1337319740	VKYSOQXRMZMJQU-TVYUQYBPSA-N	314.332	1.735	50	20	DDGD	
O=C(NC/C=C\C1CC1)NNc1ncc(Br)cn1	1332940720	NWNURZCQXBQMOR-UPHRSURJSA-N	312.171	1.831	50	20	DDGD	
Cc1cnc(Cl)cc1C(=O)NNC(=O)OCC(F)(F)F	1336527126	LKZGKFBAYPUHIL-UHFFFAOYSA-N	311.647	1.977	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)C1CCC(Cl)CC1	1263774036	LXXXMOVMWGXYNN-IFWUJCSASA-N	317.813	1.963	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCC2(O)CCC(C)(C)CC2)cn1	1347864940	GOLYIQFBUFCNAM-RIYZIHGNSA-N	316.405	1.775	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@H]2CC[C@H](C)O2)cc1	1344569161	VJGGSKVUKXBADV-GXFFZTMASA-N	307.350	1.207	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cccc(C(=O)N2CCCCC2)c1	1347703524	FUFASDWZNOBTNS-CYBMUJFWSA-N	319.405	1.270	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ncc(Cl)s1	1261746795	TZGOOMJPTNTCMR-UHFFFAOYSA-N	304.828	1.706	50	20	DDGD	
CC(=O)N[C@@](C)(C(=O)NNc1ccc(C(C)(C)C)nn1)C(C)C	1355332751	BPVVXHIIMMUOMB-MRXNPFEDSA-N	321.425	1.768	50	20	DDGD	
O=C(CCCCl)N1CCn2nc(Br)nc2C1	536953900	LFAPRKRTHCTUEK-UHFFFAOYSA-N	307.579	1.402	50	20	DDGD	
C[C@H](CCN(C)C)NC(=O)NNc1ccc(F)c(C(=O)O)c1	1609739295	KGIXKPQTSSHUFQ-SECBINFHSA-N	312.345	1.490	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)Nc1ccnc(C(=O)O)c1	1605815718	SNSHMJXATVJRPY-UHFFFAOYSA-N	307.697	1.977	50	20	DDGD	
C[C@H](C(=O)O)C(=O)NNC(=O)c1cccc(C(F)(F)F)c1	1602804287	GQAMVDYFUVZTCR-LURJTMIESA-N	304.224	1.187	50	20	DDGD	
Cc1c(NNC(=O)NCc2nccs2)cccc1C(=O)O	1600053516	ILWGPCNEKXDDHC-UHFFFAOYSA-N	306.347	1.976	50	20	DDGD	
O=C(NNc1cccc(F)c1C(=O)O)c1ccnc(CO)c1	1601560402	DUJPTUNQSOOERK-UHFFFAOYSA-N	305.265	1.168	50	20	DDGD	
C[C@H](CC(=O)O)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	1604095449	VRSMFUXYXLZFSI-ZCFIWIBFSA-N	301.686	1.802	50	20	DDGD	
O=C(NN[C@H](Cc1ccc(Cl)cc1)C(=O)O)c1ccccn1	1608479383	DLTPONDTWLIQDZ-CYBMUJFWSA-N	319.748	1.665	50	20	DDGD	
O=C(O)Cn1cccc1C=NNC(=O)c1c[nH]c2ccccc12	1602166360	PDQHMYXTPMWAJG-UHFFFAOYSA-N	310.313	1.818	50	20	DDGD	
O=C(NNC(=O)c1cccc(C(=O)O)n1)c1ccc(Cl)cc1	1601555312	VNEWDECMIGHJNM-UHFFFAOYSA-N	319.704	1.508	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCc2ccco2)oc1C(=O)O	1607579904	CZQSCVWFDSIZDH-UHFFFAOYSA-N	306.274	1.273	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1	1609239757	VNHPRWIZJIVOMG-BENRWUELSA-N	324.344	1.416	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)Nc1cc(C(=O)O)ccn1	1610700433	QIIKIVKELLHGEH-UHFFFAOYSA-N	317.261	1.837	50	20	DDGD	
COc1ccccc1OCC(=O)NNc1ccccc1C(=O)O	1610367982	MTDMBUIDSFOKAB-UHFFFAOYSA-N	316.313	1.916	50	20	DDGD	
N#Cc1ccc(Br)c(NNC(=O)CCNC2CC2)c1	1580064439	LUNMNSRHKAHGKP-UHFFFAOYSA-N	323.194	1.906	50	20	DDGD	
N#CCCC[C@@H](N)C(=O)NNc1ncc(Cl)cc1Cl	1580049139	INYBNJLHQHPRDK-SECBINFHSA-N	302.165	1.853	50	20	DDGD	
CN(C(=O)/C(C#N)=C\c1cnn(C)c1)[C@@H](C(=O)O)c1ccccc1	1597990465	NQUJPVSALIEAHH-CKNOQMABSA-N	324.340	1.611	50	20	DDGD	
COc1cc(-c2nn[nH]n2)ccc1C(=O)NNc1cccc(C)c1	1591482812	XXEFHALTXZJOKO-UHFFFAOYSA-N	324.344	1.941	50	20	DDGD	
CCN(CCC(=O)O)C(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	1596303413	CLUWGIVPYFBWQS-QPEQYQDCSA-N	314.345	1.435	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC(C(=O)O)CC1	1594600875	GTQIYDJPTAQOKB-UKTHLTGXSA-N	300.314	1.622	50	20	DDGD	
O=C(O)CC1(C(=O)NNc2c(F)cccc2F)CCOCC1	1594976222	GLAAYIMGNOZDCF-UHFFFAOYSA-N	314.288	1.679	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccccc2)c1OC	15435500	DKJRANOEBUXAAE-UHFFFAOYSA-N	300.314	1.779	50	20	DDGD	
CCOCCC1(C(=O)NNC(=O)Cn2nc(C)cc2C)CCC1	161083916	PXFMRGPZJPSQGB-UHFFFAOYSA-N	322.409	1.244	50	20	DDGD	
O=C(CC[C@@H]1CCCCO1)NNC(=S)Nc1ccccn1	161695076	ZYEXNVPEZFAFOC-NSHDSACASA-N	308.407	1.749	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CS[C@@H]2CCO[C@@H]2C)c1	163757061	RKZPOHZKMNFVHP-DGCLKSJQSA-N	308.403	1.667	50	20	DDGD	
C[C@H](Oc1cccnc1)C(=O)NNc1cccc([N+](=O)[O-])c1	151668800	IEZWPLNJKCIRTF-JTQLQIEISA-N	302.290	1.900	50	20	DDGD	
O=C(Cn1ccccc1=O)NNc1nc(C(F)(F)F)cs1	152890039	UWMXOTQWZJIJFT-UHFFFAOYSA-N	318.280	1.467	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)[nH]n1	153067732	OHYSYZTVZXKIPR-RYUDHWBXSA-N	302.309	1.422	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)CCc1nc(-c2ccoc2)no1	155140829	IXTKRAQHWPNDQA-UHFFFAOYSA-N	320.349	1.846	50	20	DDGD	
CC(C)(C)N1C[C@@H](NS(=O)(=O)CCCCCl)CC1=O	154516683	GZMHKZKAUQCXOL-JTQLQIEISA-N	310.847	1.324	50	20	DDGD	
O=C(CNC(=O)NCc1ccco1)NNc1cccc(F)c1	154844159	CVHHXTCRBYWCPE-UHFFFAOYSA-N	306.297	1.361	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CC=CCC2)cc1OC	3098057	JCQVDVLPTZRSNJ-LLVKDONJSA-N	304.346	1.821	50	20	DDGD	
CC(=O)CCCC(=O)NNC(=O)c1c(C)nc2ccccn12	8284146	UIYKZDFACZGLNL-UHFFFAOYSA-N	302.334	1.163	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Oc1cccnc1)NC1CC1	52027305	MCVXSZNHAHHMDE-UHFFFAOYSA-N	312.329	1.980	50	20	DDGD	
C=CCNC(=S)NNC(=O)C[C@@H](C)c1ccccc1OC	103216741	KLZIHSRYKUNUFJ-LLVKDONJSA-N	307.419	1.870	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)Cc2ccccc2F)cc1	24044279	VUKDEHLLORRKFI-UHFFFAOYSA-N	316.332	1.767	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(OC(F)F)c2)no1	103042080	ZAGRXOCQUSGWOX-UHFFFAOYSA-N	311.244	1.659	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1C[C@@H](C)OC(C)(C)C1	67482921	WIZTVDSIMDFRBI-LLVKDONJSA-N	321.377	1.549	50	20	DDGD	
O=C(Cn1cc([N+](=O)[O-])cn1)NNc1cc(F)c(F)c(F)c1	175462692	AJPZKENXKGWWSV-UHFFFAOYSA-N	315.211	1.352	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C2[C@@H]3CCC[C@@H]23)cc1	178151723	RCTFJXBIIDHPGJ-ZIAGYGMSSA-N	302.374	1.821	50	20	DDGD	
C[C@@H](OCC1CC1)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	68286790	UUTDWRUMIFAQND-GHMZBOCLSA-N	324.352	1.556	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(C)c(NC(C)=O)c1	119939599	KSGDCVYVZXCSDU-UHFFFAOYSA-N	306.391	1.248	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)C[C@H]1CCC[C@H]1O	305287027	CZPFUPBWLVBJIR-CHWSQXEVSA-N	313.829	1.972	50	20	DDGD	
CCCC(=O)NC1CCN(S(=O)(=O)CCCCl)CC1	37842688	BMFFDZXYDHFPHE-UHFFFAOYSA-N	310.847	1.326	50	20	DDGD	
O=C(NCC1CC1)NNS(=O)(=O)c1ccc(F)c(F)c1F	64940334	BQUJHIQNKFBGJP-UHFFFAOYSA-N	323.296	1.006	50	20	DDGD	
CN(C)[C@H]1CCC[C@H](NC(=O)NNc2nc3ccccn3n2)C1	189463119	OTDIDAKMDRDKIL-RYUDHWBXSA-N	317.397	1.228	50	20	DDGD	
CN1CCO[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)C1	125269589	MRKJKVZZCPLWFB-LLVKDONJSA-N	314.729	1.022	50	20	DDGD	
O=C(C[C@H]1OCCc2ccccc21)NNc1ncc(F)cn1	123383376	UNFQTGDBAWTMCQ-CYBMUJFWSA-N	302.309	1.763	50	20	DDGD	
COc1cccc(CO[C@H](C)C(=O)NNc2cccnn2)c1	77028668	LUZFBFSRTFDRLH-LLVKDONJSA-N	302.334	1.534	50	20	DDGD	
CCOCCN(CC)CC(=O)NNC(=O)c1ccc(C)cc1	72963923	IQMKNASAASOBFJ-UHFFFAOYSA-N	307.394	1.114	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccccc1-n1ccnn1	181681614	WRFMCYPWWDRCLX-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
CCCCCNC(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12	73894095	ONMADMQRGQYFEW-UHFFFAOYSA-N	317.349	1.057	50	20	DDGD	
Cc1ccc(O)c(C(=O)NNC(=O)COCc2ccccc2)c1	78192306	SMLDENITAJKJMH-UHFFFAOYSA-N	314.341	1.678	50	20	DDGD	
O=C(CNCC(F)(F)F)NNc1ncnc2ccsc12	132817689	MAFFSXMKVOZAHK-UHFFFAOYSA-N	305.285	1.286	50	20	DDGD	
CCOc1ccc(-c2nc(CC(=O)NNC(C)=O)cs2)cc1	45053874	DIODVDUONGLORY-UHFFFAOYSA-N	319.386	1.919	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1ccc([N+](=O)[O-])o1	132618694	KDGXIMZQNMLJHH-UHFFFAOYSA-N	303.274	1.582	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)NNc2nc3ccccn3n2)c1C	191901449	AMACDLKEVPDALL-UHFFFAOYSA-N	312.333	1.634	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CC[C@@H](N)c2ccccc2)n1	237304379	XNUVWNPMDMHSCB-CYBMUJFWSA-N	315.377	1.717	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@@H]1CCN(C(=O)C2CCCC2)C1	254999676	QZUIFRGFOCPSHY-QLKUMGTLSA-N	305.378	1.338	50	20	DDGD	
CCN(CC)C(=O)CCCC(=O)NNC(=O)c1ccccc1O	263641980	CNTSUJXNFHWMDA-UHFFFAOYSA-N	321.377	1.192	50	20	DDGD	
CC[C@@H](C)[C@@H](O)CNC(=O)c1c(C)nn(CCCl)c1C	268564023	GOAQOQCLOHAAEG-SKDRFNHKSA-N	301.818	1.876	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCOc2ccccc21)NC1CCCC1	263984149	KQEFFWJNGDSVCF-CYBMUJFWSA-N	303.362	1.826	50	20	DDGD	
COCCN1CC[C@H](NC(=O)NNc2ccc(Cl)nc2)C1	266749681	FGGJQIUCSYHBGL-NSHDSACASA-N	313.789	1.082	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	265949202	HAMYGDBFCTYMBH-BFHYXJOUSA-N	317.389	1.753	50	20	DDGD	
CCCC(=O)N1CSC[C@H]1C(=O)NNc1cc(C)nc(C)n1	265535854	LZSRNOVWCODBLQ-NSHDSACASA-N	323.422	1.238	50	20	DDGD	
CCC(C)(C)N[C@H](C)C(=O)NNC(=O)CNc1ccccc1	274981663	KFGCMMQLRYDQKY-GFCCVEGCSA-N	306.410	1.413	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)CNc1cccc(OC)c1	279943088	HDXIRVPAYGUWQY-HNNXBMFYSA-N	309.366	1.070	50	20	DDGD	
Cn1c(=O)oc2c(NC(=O)NNC(=O)C(C)(C)C)cccc21	271234232	DWJIBDHIZOAQSG-UHFFFAOYSA-N	306.322	1.330	50	20	DDGD	
C[C@H](NC(=O)[C@H](Br)C(C)(C)C)c1nncn1C	272616887	PQVXSBRFDHOINA-YUMQZZPRSA-N	303.204	1.802	50	20	DDGD	
O=C(NNc1c(F)cccc1Cl)[C@@H]1CCCCS1(=O)=O	274468616	LYDUAZMYAKXUFQ-JTQLQIEISA-N	320.773	1.890	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cnc2n1CCCC2	369777202	HSWPFMGXKWUSAS-UHFFFAOYSA-N	314.345	1.303	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NC[C@H]1CN(C)CCN1C	274528302	QBCGHKFFCSWKGS-LBPRGKRZSA-N	309.389	1.006	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc(OCC(F)F)nc1	270482418	IOUZGPRPFCXJDY-UHFFFAOYSA-N	301.293	1.533	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CN2CCSC2=O)c1	272540769	CQEVPEAQGKZQOZ-UHFFFAOYSA-N	309.347	1.085	50	20	DDGD	
O=C(NNc1ncccc1F)N[C@@H]1CCN(c2ccccn2)C1	286675685	JYXKAZFGVGWUKG-LLVKDONJSA-N	316.340	1.521	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc2ccn(C)c(=O)c2c1	285013549	URCNVLPYFJGPCN-UHFFFAOYSA-N	316.361	1.737	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@@H]1CCCC(F)(F)C1	282674651	MZRGAELECJRFFF-SECBINFHSA-N	301.293	1.936	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc3c(c2)N(C)CCO3)n1	373025298	ZHXHYXGLSPXLAC-UHFFFAOYSA-N	315.333	1.071	50	20	DDGD	
COC(=O)Nc1cccc(NC(=O)NNC(=O)C2CC2)c1C	280802687	YNAVCKHNHIOWTC-UHFFFAOYSA-N	306.322	1.736	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)COc2cc(C)ccc2C)CC1	282940205	GSLFCZTZFUIHIK-UHFFFAOYSA-N	320.389	1.646	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1cc([N+](=O)[O-])[nH]n1	286955587	KWVAGJIKXPJTBR-UHFFFAOYSA-N	303.282	1.132	50	20	DDGD	
C[S@@](=O)C1(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)CC1	282346197	XWCPXPLJIHFBQH-PRUHCIRGSA-N	304.371	1.326	50	20	DDGD	
O=C(C[C@H]1COCCN1)NNc1ccccc1C(F)(F)F	285624689	CPBPNJOSIUABSI-VIFPVBQESA-N	303.284	1.527	50	20	DDGD	
CO[C@]1(C)CCCN(C(=O)NNC(=O)c2ccc(C#N)cc2)C1	280312600	QKROJSVNYLNCQN-MRXNPFEDSA-N	316.361	1.414	50	20	DDGD	
CCCN(NC(=O)Cn1ccccc1=O)C(=O)OC(C)(C)C	286431408	IBNPFPROWNCQKJ-UHFFFAOYSA-N	309.366	1.527	50	20	DDGD	
CC[C@H](C)[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	282365468	CAAQVIKLZOXHMH-RYUDHWBXSA-N	305.378	1.763	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)cc1)c1cn(C)c(C)n1	800808268	IBLGFMGHFYUWEL-UHFFFAOYSA-N	313.361	1.516	50	20	DDGD	
COc1cc(C(=O)NNc2cccc(F)n2)cc2c1OCCO2	804770463	CNKYDTDNGRSIBV-UHFFFAOYSA-N	319.292	1.757	50	20	DDGD	
O=C(CSc1cccc[n+]1[O-])NNC(=O)Nc1ccccc1	801992234	FNYDXSBWIWHKHD-UHFFFAOYSA-N	318.358	1.265	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2ccoc2CC(N)=O)c1	802832170	IFUDUTGTFYXKBQ-UHFFFAOYSA-N	307.281	1.212	50	20	DDGD	
COc1ccccc1/C(C)=C/C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	294396751	XHNBVFABKZYKCM-BTZHNTTCSA-N	318.373	1.813	50	20	DDGD	
N#Cc1cc(O)cc(C(=O)NNC(=O)CNc2ccccc2)c1	809566348	FWBZHZWNVSHOCW-UHFFFAOYSA-N	310.313	1.137	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1ccc(Cl)cc1F)NC1CC1	291417550	CWPBTHIQOMYSLE-JTQLQIEISA-N	301.705	1.005	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)CCl)CCN1Cc1ccccc1	396364889	LJPCAPKCDKTIRJ-GFCCVEGCSA-N	302.827	1.719	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)C1	805151791	YCYFCXPCNUEXGI-UHFFFAOYSA-N	315.373	1.673	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)N2CCOCC2)c(C)c1	299404522	XBQZHHKWJLIOOS-UHFFFAOYSA-N	323.418	1.469	50	20	DDGD	
O=C(Cn1cnc2sccc2c1=O)NNc1cccc(F)n1	804773087	RDORGIJMQGDRQL-UHFFFAOYSA-N	319.321	1.135	50	20	DDGD	
Cn1ncc2c1C[C@H](C(=O)NNc1cccc(Cl)n1)CC2	293712779	OLLGDQXFAMUNFB-SECBINFHSA-N	305.769	1.717	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1cnc(Cl)cn1	807506780	JFHOMFAOKMFORN-UHFFFAOYSA-N	315.720	1.728	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNc3ncc(F)cn3)(CC1)CC2	815881544	RKXFFPCOAMELMK-UHFFFAOYSA-N	322.340	1.572	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)c1cccc2cccnc12	812488537	GKIDAJVLSFCMPK-VXGBXAGGSA-N	315.373	1.914	50	20	DDGD	
CON1CCC(NC(=O)NNc2ncc(F)cc2F)CC1	817805798	LYROEZQUGCKJAM-UHFFFAOYSA-N	301.297	1.012	50	20	DDGD	
O=C1CSc2cc(C(=O)NNC(=O)NCC3CC3)ccc2N1	813424294	KOSXUPBXJLRQTK-UHFFFAOYSA-N	320.374	1.085	50	20	DDGD	
CO[C@H]1CCC[C@@H](C(=O)NNC(=O)c2ccc(C)cc2O)C1	814406569	CDWFCMGMDPAGIQ-NEPJUHHUSA-N	306.362	1.667	50	20	DDGD	
C[C@H](CN1CCCCCC1)C(=O)NNC(=S)NC1CCC1	814190617	BIUGODQATQYDMD-GFCCVEGCSA-N	312.483	1.546	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)COCc2ccccc2)cn1	814854061	QPSDQEVEVTZMFV-UHFFFAOYSA-N	313.361	1.210	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)NNc1cccnn1	816068444	UGJMVCUXKQQNOK-IAZYJMLFSA-N	319.365	1.033	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)COc1cccc(C)c1	812445701	XCBJZFSQZYUCRR-QWHCGFSZSA-N	308.378	1.440	50	20	DDGD	
CC1(C)OCCC1=NNC(=O)c1nn(-c2ccccc2)cc1O	814757879	VBJJLELTBKXARU-UHFFFAOYSA-N	314.345	1.863	50	20	DDGD	
CN(NC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)C1CC1	496515587	VRTUYDDDOUIWKZ-JTQLQIEISA-N	301.412	1.422	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)ccc1O	826259960	OMTGMDBPTJBKHB-UHFFFAOYSA-N	310.317	1.638	50	20	DDGD	
O=C(C[C@@H]1CC[C@@H]2C[C@H]12)NNC(=O)Cn1cnc2ccccc21	822198528	ZFKXKVFFGXOKKO-AGIUHOORSA-N	312.373	1.620	50	20	DDGD	
CCCNC(=O)NNC(=O)C[C@@H](c1ccccc1)c1ncc[nH]1	823945700	TWCKZTSJHOBDJK-ZDUSSCGKSA-N	315.377	1.672	50	20	DDGD	
CC(C)Oc1nnc(SCC(=O)NNC(=O)C(C)C)s1	829092744	MUKOQILGVXOBJC-UHFFFAOYSA-N	318.424	1.221	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1C[C@H](C)OC[C@@H]1c1ccccc1	827944133	ALMIAWZDIGSFFW-DZGCQCFKSA-N	319.405	1.252	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(-c2ccccc2OC)on1	823846048	ACHXRYPQKUEZTK-UHFFFAOYSA-N	305.334	1.309	50	20	DDGD	
O=C(C[C@H]1COc2ccccc2O1)NNC(=O)C1CCCC1	822474884	VVERQAUGFJCCGF-LBPRGKRZSA-N	304.346	1.554	50	20	DDGD	
C[C@H]1CCCC1=NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1	729140780	MFHVQQCBLWUWHJ-NSHDSACASA-N	323.418	1.843	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@@H](C)Oc2ccccn2)o1	825505616	NWZBZZSTOJHLTC-SNVBAGLBSA-N	315.333	1.975	50	20	DDGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)OC[C@H]2C1	493312821	RDBZPISUAHSZNM-NYZLRFNGSA-N	314.301	1.596	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NC[C@]1(C)C[C@@H]1Br	826859201	PKTWESBQOVVYIZ-XBWDGYHZSA-N	304.184	1.475	50	20	DDGD	
CC(C)(C)N1CC[C@@H](NC(=O)NNc2cccc(F)n2)C1=O	827086543	NPYKHHWXIIEKJP-SECBINFHSA-N	309.345	1.246	50	20	DDGD	
OB(O)c1cccc(CNCCCCOc2ccc(F)cc2)c1	585018296	UHNPJZHCQJMHTN-UHFFFAOYSA-N	317.169	1.454	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)O1	825182407	IUXNQUOALQTVJF-NEPJUHHUSA-N	302.338	1.267	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)Cn1c(C)nc2ccccc21	491741315	FOUCWPJXROYESX-UHFFFAOYSA-N	320.356	1.325	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=O)NC2CCCC2)C1	900414877	NHUZANNYEGLTKL-JOYOIKCWSA-N	305.382	1.349	50	20	DDGD	
CCOC(=O)c1cccc(SCC(=O)NNC(=O)C(C)C)c1	829530983	GYCPJVIOVFXKNR-UHFFFAOYSA-N	324.402	1.759	50	20	DDGD	
C[C@]1(C(=O)NNc2cc(Cl)nc(Cl)c2)CCNC1=O	823800623	HSENEICJJRLEBZ-NSHDSACASA-N	303.149	1.358	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)cc1F	909359071	FXSHKJMNZRDFLE-TVYUQYBPSA-N	306.293	1.281	50	20	DDGD	
CN1C(=O)CCC[C@H]1C(=O)NNc1nccnc1C1CCC1	908195961	CNGPEOBREWZTJK-NSHDSACASA-N	303.366	1.198	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1cc2n(n1)CCCC2	825561083	VTTTZCRCPZCMFC-UHFFFAOYSA-N	312.373	1.613	50	20	DDGD	
COc1cccc(C[C@@]2(C(=O)NCB(O)O)C[C@H]3CC[C@H]2C3)c1	585059190	CPHXUZSCQZNIQX-GRDNDAEWSA-N	317.194	1.172	50	20	DDGD	
O=C(C[C@@H](n1cccn1)C(F)(F)F)NNC(=O)C1CCCC1	821750149	AMFFZMUXBIWRLC-SNVBAGLBSA-N	318.299	1.714	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H]1CCc2cc(OC)ccc2C1	900392175	DKOQMVOXLPFPHP-ZDUSSCGKSA-N	305.378	1.541	50	20	DDGD	
CN(NC(=O)Nc1ccc(F)c(S(C)(=O)=O)c1)C1CC1	824368080	QDWSLLSSTYOWBY-UHFFFAOYSA-N	301.343	1.360	50	20	DDGD	
CCO/C=C\C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	493117490	CRRQZQHKIISZMI-GQYWMQPJSA-N	312.753	1.805	50	20	DDGD	
CO[C@@]1(C(=O)NNC(=O)Nc2ccccc2C)CCSC1	907968259	UTQPLYWYDJNALT-AWEZNQCLSA-N	309.391	1.670	50	20	DDGD	
Cn1cc(CCC(=O)NNc2cccc(Br)n2)cn1	837210214	GUYZQTNMQMRLOJ-UHFFFAOYSA-N	324.182	1.654	50	20	DDGD	
CC(C)[C@@H]1N(C(=O)c2cc(B(O)O)ccc2F)CC12CCCC2	585001557	XHEMPTZRYZKKHW-HNNXBMFYSA-N	319.185	1.546	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)c2ncon2)c(C)c1OC	901289895	NQWJYTCMZFECTE-UHFFFAOYSA-N	304.306	1.549	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNC(=O)C(C)(C)c2ccccc2)C1	838749606	XGUUYJYPJGVZJC-OKILXGFUSA-N	319.405	1.862	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc2ncsc2c1	831236030	QKTZANKBWBIYPJ-WCBMZHEXSA-N	320.374	1.874	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)c1cc(OC)cc(OC)c1	739472364	BYJCEOYUUITCSR-UHFFFAOYSA-N	319.317	1.329	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)OCCCN2CCCCC2)cn1	837970239	AJSHTHAAYFWQQL-XNTDXEJSSA-N	302.378	1.746	50	20	DDGD	
O=C(NCCOCC1CC1)NNC(=O)c1cc2c(s1)CCC2	731045352	DAJNFODUPBHWQR-UHFFFAOYSA-N	323.418	1.607	50	20	DDGD	
CC[C@@H](CC(=O)N1CC[C@@H](B(O)O)C1)c1ccc(OC)cc1	585066166	MTHUHQWUQBBGOI-GXTWGEPZSA-N	305.183	1.654	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H](C(C)C)N(C)C)cc1F	837050834	VKYRNXQYPNTXFK-CYBMUJFWSA-N	311.357	1.642	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NN=Cc1ccc(CO)o1	739412772	GNDQJJXHADRYCV-SNVBAGLBSA-N	306.293	1.829	50	20	DDGD	
CCOCCC1(CNC(=O)NNC(=O)[C@@H]2CCCCO2)CC1	836372065	RAVXDOVFQSANPI-LBPRGKRZSA-N	313.398	1.093	50	20	DDGD	
COc1cccc(C(=O)NNc2ccccc2S(C)(=O)=O)c1	732303662	DACRZTHHXLJFTB-UHFFFAOYSA-N	320.370	1.856	50	20	DDGD	
CCC[C@@H](CNC(=O)NNC(=O)CCc1ccccc1)OC	836526820	SNBZOURRRLEJHS-AWEZNQCLSA-N	307.394	1.765	50	20	DDGD	
O=C(NNc1ncncc1F)[C@@H]1CCN(c2ccccc2)C1	832824072	YWJLRIXWICVYDM-LLVKDONJSA-N	301.325	1.585	50	20	DDGD	
O=C(C[C@@H]1C[C@H]2CC[C@H]1O2)NNC(=O)c1c[nH]c2ccccc12	836236934	WWLAHAXZVNTISQ-FIXISWKDSA-N	313.357	1.887	50	20	DDGD	
O=C1C[C@H](C(=O)NN=c2cc[nH]cc2Cl)[C@H]2CCCC[C@H]2N1	832243647	UWXPSKZICXCLSC-JFGNBEQYSA-N	322.796	1.295	50	20	DDGD	
CC(C)(C)c1csc(CNCc2cccc(B(O)O)c2)n1	585022731	XWTDWOLIMDHAIX-UHFFFAOYSA-N	304.224	1.410	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)N[C@@H](C1CCC1)C1CC1	836688766	LLYJFLQCQCYCEZ-HNNXBMFYSA-N	302.378	1.533	50	20	DDGD	
Cn1cccc1C=NNC(=O)c1cccc(S(C)(=O)=O)c1	915052696	WQTXNMIFZUCFBD-UHFFFAOYSA-N	305.359	1.193	50	20	DDGD	
CO[C@@H](CNCc1ccc(B(O)O)cc1)c1cccc(Cl)c1	585026453	HETBQFBPJXBPBC-INIZCTEOSA-N	319.597	1.497	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)CC2CCOCC2)cn1	735330503	PQWMDPUBSUDJMK-UHFFFAOYSA-N	324.406	1.225	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccn1)[C@H]1C[C@@]12CCOC2	832968892	QQHISMXNRXZAKR-BXKDBHETSA-N	301.268	1.970	50	20	DDGD	
O=C(NN=CC[C@@H]1CCCCC12OCCO2)[C@H]1CCCCO1	834984837	COLSFBNSPPAEAK-UONOGXRCSA-N	310.394	1.981	50	20	DDGD	
Nc1cc(C(=O)NN=Cc2ccc(O)c(O)c2)cc([N+](=O)[O-])c1	916346881	ZMZVZWLJFIVHIK-UHFFFAOYSA-N	316.273	1.352	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1	910164852	ZQNMCZWAGUYYCM-DOMZBBRYSA-N	309.385	1.134	50	20	DDGD	
CON1CCC(=NNC(=O)COc2ccc(C)c(C)c2)CC1	834922892	PUUCTTNJKWZHJR-UHFFFAOYSA-N	305.378	1.812	50	20	DDGD	
COC(=O)c1cc(NNC(=O)Cc2c(C)n[nH]c2C)ccc1F	837034727	SFBNFDWMUOGTRX-UHFFFAOYSA-N	320.324	1.638	50	20	DDGD	
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NN)c2)cc1F	917371603	JXZXHWJYMXORHO-UHFFFAOYSA-N	323.349	1.538	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccn2cc(C(F)(F)F)nc2c1	910140310	ZNVGJQDNORFBHH-MRVPVSSYSA-N	316.283	1.311	50	20	DDGD	
CCOC1CC(C(=O)NNc2ccc(F)c(C(=O)OC)c2)C1	837037738	KHTOJWPJBBZPBU-UHFFFAOYSA-N	310.325	1.871	50	20	DDGD	
COc1cccc(NCC(=O)NN=C2C[C@@H](C)n3ccnc32)c1	834933254	NPRXGSOQEGIVHC-LLVKDONJSA-N	313.361	1.789	50	20	DDGD	
COc1cc(C(=O)NN(C)C[C@H](C)O)ccc1Br	910140977	VFTVWCXLAIIJBL-QMMMGPOBSA-N	317.183	1.415	50	20	DDGD	
Cc1ccc(C(N)=O)c(NS(=O)(=O)CCCCCl)c1	848457369	YTSTVPWDMHNSCJ-UHFFFAOYSA-N	304.799	1.855	50	20	DDGD	
CO[C@@]1(C(=O)O)CCN(C(=O)[C@@H](Br)C(C)(C)C)C1	910219652	PBTLEAXSZOOYKH-PELKAZGASA-N	322.199	1.498	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccc2ncccc12)c1cnn(C)c1	749983106	MQBRUVJPHVFWAI-NSHDSACASA-N	323.356	1.533	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H](C)c2c(C)noc2C)n1	746765352	PIBSYWNILRGTGK-MRVPVSSYSA-N	320.353	1.786	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNc1ccc(CC(=O)OC)cc1	846371551	FVKDXZYNBNRURM-LBPRGKRZSA-N	306.362	1.826	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)c2cc([N+](=O)[O-])ccc2O)cn1	741771403	OBZBJDMKRSHFQM-UHFFFAOYSA-N	317.305	1.671	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccnn1-c1ccccc1	843658295	UHPRBIJHCGJIKI-YPMHNXCESA-N	314.345	1.058	50	20	DDGD	
NC(=O)CSc1ccccc1NC(=O)NNc1ncccn1	915931686	OVRULQLITFACRF-UHFFFAOYSA-N	318.362	1.203	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1cc2cnccc2o1	844589195	HJLUDTFZESKJPX-UHFFFAOYSA-N	318.333	1.803	50	20	DDGD	
O=C(NCC1CCNCC1)NNC(=O)c1cccc(Cl)c1	841923622	MCGPXFICBMHJPQ-UHFFFAOYSA-N	310.785	1.284	50	20	DDGD	
Cc1cc2c(cc1C)[C@H](C(=O)NNC(=O)[C@H]1CCO[C@H]1C)CO2	843654052	FEGCLJAPHOYSSD-SGMGOOAPSA-N	318.373	1.352	50	20	DDGD	
O=C(NCC1=CCNCC1)NNc1cc(F)c(F)cc1F	841973558	VJDPVMLKCAHYNG-UHFFFAOYSA-N	300.284	1.650	50	20	DDGD	
O=C(NN=C1C(=O)Nc2c1ccc(O)c2F)NC1CCCC1	841622017	QBNYJZAUSHZOIE-UHFFFAOYSA-N	306.297	1.429	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1nc(Cl)sc1Cl	848237172	UMMYPZLMVIHTQT-WHFBIAKZSA-N	324.189	1.636	50	20	DDGD	
NC[C@@H]1CC[C@H](NC(=O)NNC(=O)c2cc3c(s2)CCC3)C1	842010581	MZJFBLIFYXXGQO-KOLCDFICSA-N	322.434	1.308	50	20	DDGD	
Cc1cc(C(=O)NN(C)C[C@@H](C)O)c2cnn(C(C)C)c2n1	910178352	AFLFNTHICGNLHH-LLVKDONJSA-N	305.382	1.278	50	20	DDGD	
COC(=O)c1ccc(CCNC(=O)NNC(=O)C(C)(C)C)cc1	916249263	YBVOPFRHKYNODD-UHFFFAOYSA-N	321.377	1.392	50	20	DDGD	
NC(=O)N1CCC(=NNC(=O)Nc2ccc(C(=O)O)cc2)CC1	743444606	QZKUEEVMIWPGOA-UHFFFAOYSA-N	319.321	1.037	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2ccc(Cn3cncn3)cc2)c1	748032035	BHIPRZICRMYBOW-UHFFFAOYSA-N	318.340	1.955	50	20	DDGD	
COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NN(C)C[C@H](C)O)c1	910154158	WPKRDOOFRFGWNA-JKOKRWQUSA-N	308.378	1.151	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C1CCN(c2ccccn2)CC1	842559275	UWVFGCQBWTXVTK-JSGCOSHPSA-N	302.378	1.579	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc(/C=C/C(=O)OC)o1	848403244	QYBOKDHAXPQDAK-GCOFNLTRSA-N	321.377	1.648	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnc(N(C)C)c(Cl)c1	847285948	ZYCCQGZOBHJAIB-UHFFFAOYSA-N	313.814	1.096	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN(Cc1cccs1)C1CC1	744387057	VXVHNTNBLMXHQM-UHFFFAOYSA-N	309.435	1.906	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSc1n[nH]c(C(C)(C)C)n1	742452217	KUWSHBZWWPMJLN-UHFFFAOYSA-N	313.427	1.388	50	20	DDGD	
CS(=O)(=O)c1ccc(NC(=O)NN=Cc2cscn2)cc1	741766718	HHUUFEXMOVOKAV-UHFFFAOYSA-N	324.387	1.702	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccnc(C(F)(F)F)c1	843658356	UXXDMHGRHNOTMC-IONNQARKSA-N	317.267	1.286	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NOCc1cccnc1	746702274	NEACMCUBWGBOSD-UHFFFAOYSA-N	300.318	1.466	50	20	DDGD	
CCC(CC)(CN)C(=O)NNc1ccccc1S(C)(=O)=O	843436535	BIULBRYLHCVZHW-UHFFFAOYSA-N	313.423	1.298	50	20	DDGD	
CO[C@H](C(=O)Nc1cccc(NC(=O)NN(C)C)c1)C1CC1	843869941	IVZREJFYKDJNFS-ZDUSSCGKSA-N	306.366	1.648	50	20	DDGD	
CCN1C[C@H](CNC(=O)/C(C#N)=C/c2ccc(O)cc2)CC1=O	846462903	JHEPABXJLFQWDL-PZMUVPOTSA-N	313.357	1.284	50	20	DDGD	
C[C@]1(CNC(=O)NNc2c(F)cc(F)cc2F)CCC(=O)N1	922806026	RYIPCUMRUVUTGD-CYBMUJFWSA-N	316.283	1.399	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c2c1CCC2	843663320	XVOJPUGXAISBFL-WCQYABFASA-N	302.374	1.670	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)c2oc(C)nc2C)cc1	846374062	IFXLWYSXPGKUJI-UHFFFAOYSA-N	303.318	1.764	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1c[nH]nc1-c1cnn(C)c1	848084838	XSNNWMMHRBZCHD-UHFFFAOYSA-N	302.165	1.686	50	20	DDGD	
COCCCNC(=O)NN=C1CCOc2c(OC)cc(C)cc21	920831311	DCMNOBFKRUWORR-UHFFFAOYSA-N	321.377	1.826	50	20	DDGD	
CC[C@@H](Nc1ccccc1)C(=O)NNc1nccn(C)c1=O	747942204	OKVMVVGSDYACSL-GFCCVEGCSA-N	301.350	1.114	50	20	DDGD	
Cc1c(C)c(O)c(C=NNC(=O)[C@@H]2CCO[C@H]2C)c(C)c1O	842560643	NBVQPTMIFZHEOS-NWDGAFQWSA-N	306.362	1.898	50	20	DDGD	
COC(=O)c1cc(NNC(=O)N[C@H]2CC[C@@H](CN)C2)ccc1F	842009625	DBAYDVKDJMPFEM-ZJUUUORDSA-N	324.356	1.366	50	20	DDGD	
O=C(COC(=O)C=C1CCC1)NNC(=O)c1ccc(Cl)cc1	756727029	YMGXHRGNQAFTKK-UHFFFAOYSA-N	322.748	1.755	50	20	DDGD	
Cc1nnc(O)c(C(=O)NC[C@@]2(C)C[C@H]2Br)c1C	857401120	XUERLIJMCSTPCR-PRHODGIISA-N	314.183	1.702	50	20	DDGD	
O=C(NCCc1nc2c(s1)CCC2)NNc1cccnn1	926580478	QVYIJHPQKUMMIB-UHFFFAOYSA-N	304.379	1.291	50	20	DDGD	
Cc1ccc(NNC(=O)Nc2ccc([N+](=O)[O-])cc2F)nn1	758353674	JMFSQEJISRUPTL-UHFFFAOYSA-N	306.257	1.981	50	20	DDGD	
CCc1noc(CCCC(=O)NNC(=O)OCC(F)(F)F)n1	856024553	ZMEAGTKTJCRINP-UHFFFAOYSA-N	324.259	1.274	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cn2nc(C)cc2C)c1C	855628144	NYZJSFHOTVXJIQ-UHFFFAOYSA-N	316.361	1.738	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	755049929	SGXVBZNSANETKI-FZMZJTMJSA-N	322.405	1.891	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCC(O)CC2)cc1)c1ccncc1	853255281	ZSHRDWZAJZSBJO-UHFFFAOYSA-N	324.384	1.807	50	20	DDGD	
CC(C)(C)n1nnc(C=NNC(=O)CCc2ccccc2)n1	853299754	RIFKVZJLHPKWSY-UHFFFAOYSA-N	300.366	1.511	50	20	DDGD	
CCOC(=O)NC1CCC(=NNC(=O)c2c[nH]nc2C)CC1	853309763	WLIDXYHREQFROY-UHFFFAOYSA-N	307.354	1.493	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2nc(Cl)ccc2F)n1	753450811	YYNIICPPPBJIQW-UHFFFAOYSA-N	317.111	1.657	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)[C@H](CO)NC(=O)C(C)C	928337118	KGVTWRHUBGIOHE-LBPRGKRZSA-N	313.785	1.225	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)c2ccc[nH]2)C[C@@H]1Br	856951188	QPRMNPSVXBGOIW-GZMMTYOYSA-N	315.171	1.132	50	20	DDGD	
C#CC[C@@H](CCOC)NC(=O)NNC(=O)c1cccc(Cl)c1	859026896	VZBNLONZMCQIFH-ZDUSSCGKSA-N	323.780	1.712	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@]1(C)CCOC1	754347632	WYEXGJVADQDNTM-BONVTDFDSA-N	310.325	1.167	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc(F)cc2nccnc12	920858864	KKIMSFWYFHOUES-UHFFFAOYSA-N	303.297	1.123	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@H]1CCCN1CC(F)F	858746564	CLCWKHZRTXMNMB-SNVBAGLBSA-N	306.357	1.092	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)CCCN1C(=O)CN(C)C1=O	855365145	DPILUSATVRWFTM-UHFFFAOYSA-N	322.340	1.251	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)c2cccc(F)n2)CC(C)(C)O1	852709739	DXQDNYSNAPDDSY-UHFFFAOYSA-N	324.356	1.465	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2ccncn2)C[C@H]1Br	856896851	HMUHTRYQIPDWLN-XCBNKYQSSA-N	300.160	1.276	50	20	DDGD	
CN1CCC[C@@H](c2cccc(C(=O)NNc3cnnn3C)c2)C1	857270474	DHKLUPJEVXEPJV-CQSZACIVSA-N	314.393	1.381	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1ccc(CO)cc1	853329125	XXURALZTHJKHCD-UHFFFAOYSA-N	307.350	1.154	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cccc(Cl)c1O	855089470	SGFVZCZHULMDBB-UHFFFAOYSA-N	313.810	1.955	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cc(Br)cnc1O	856986483	UILJSIZLYCAIOD-UHFFFAOYSA-N	316.155	1.357	50	20	DDGD	
N#C/C(=C/c1cn(CC(=O)O)nn1)c1nc(-c2ccccc2)no1	759076393	SAWDMGQQUFZSEB-WDZFZDKYSA-N	322.284	1.477	50	20	DDGD	
CCCC[C@H](CCC)CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1	858288503	IXOBRMDIGVIFDF-RYUDHWBXSA-N	312.414	1.202	50	20	DDGD	
Cc1ccc(NNC(=O)NCCN2CCOCC2(C)C)cc1F	853665588	QJWKOWYWSZRZOT-UHFFFAOYSA-N	324.400	1.871	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C[C@H]2CCC(=O)N2)c1C	854185185	QMWBBEKYTJYXHZ-LLVKDONJSA-N	320.418	1.290	50	20	DDGD	
O=C(NNc1cccnn1)N[C@@H]1CCN(C2CCCCC2)C1	852589578	XPTSZKPIHSXHKT-GFCCVEGCSA-N	304.398	1.510	50	20	DDGD	
C/C=C/C=C\C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	754123580	BJZDCCKLSLQYGM-ICWBMWKASA-N	302.330	1.432	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCN(C(C)(C)C)C2)o1	852467339	GETKCJWIMOSBEN-NSHDSACASA-N	308.382	1.405	50	20	DDGD	
CC1(N)CCN(C(=O)NC[C@@]2(C)C[C@H]2Br)CC1	857105806	SBWVWGIQBAZCMZ-MWLCHTKSSA-N	304.232	1.683	50	20	DDGD	
COc1cccn2ncc(C(=O)NNC(=O)C3CCCC3)c12	930135042	YQSOECJVYIRBDM-UHFFFAOYSA-N	302.334	1.294	50	20	DDGD	
N#CSCCCNC(=O)c1cc2c(nc1O)CCCC2=O	854363077	LETRUXQQKHGDFV-UHFFFAOYSA-N	305.359	1.640	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C=NNC(=O)c2ccnnc2)c1C	863120626	RNDPGJQKEPORTB-UHFFFAOYSA-N	315.333	1.362	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCCNC2=O)c(Cl)c1	868118174	GYXMROAORIMGKX-SECBINFHSA-N	324.768	1.327	50	20	DDGD	
COc1cc(OC)c(NCc2ccc(B(O)O)cc2)cc1Cl	864018190	OZBCOQQNWAUWHG-UHFFFAOYSA-N	321.569	1.649	50	20	DDGD	
CCCc1c(C(=O)NN(C)C(N)=O)cnn1-c1cccc(C)c1	768158062	UEOKPGWYBDEJNZ-UHFFFAOYSA-N	315.377	1.789	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(F)c1[N+](=O)[O-])[C@@H]1CCC(=O)N1	861410813	VJDLVPQJRMKTBW-APPZFPTMSA-N	310.285	1.092	50	20	DDGD	
C[C@@](O)(C(=O)NNCC(F)(F)C(F)(F)F)c1ccccc1	863102023	RNGIFSXZFUCLDN-JTQLQIEISA-N	312.238	1.713	50	20	DDGD	
Cc1nc(C(C)C)nc(O)c1C(=O)NN[C@@H](C)C(F)(F)F	862310815	GNMBVOVGXUWMGB-ZETCQYMHSA-N	306.288	1.799	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H](C1CC1)[C@H](CO)C1CC1	867353375	STWZVYWIGZVJPQ-OLZOCXBDSA-N	323.886	1.968	50	20	DDGD	
CCCNC(=O)NNC(=O)c1c(C)nn(CC(F)F)c1C	760853918	JYTGLNXAEPVMLV-UHFFFAOYSA-N	303.313	1.119	50	20	DDGD	
C[C@@H]1CCCC[C@H]1N1CCC(=NNC(=O)[C@@H]2CCC(=O)N2)CC1	863148856	LODNBFBAVARPJI-VHDGCEQUSA-N	320.437	1.412	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](O)[C@H](C)c2ccccc2F)nc1	867644663	WCWDEYOQKZWTKQ-MEBBXXQBSA-N	319.336	1.837	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H]1c1ccco1	860441454	OKOBLUPXRGQSFV-QJPTWQEYSA-N	322.361	1.508	50	20	DDGD	
CC(C)[C@H](NC=O)C(=O)NNc1ccc(-c2ccccc2)nn1	863894769	LHMHKZLOQJLDID-HNNXBMFYSA-N	313.361	1.357	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Cn2ccnc2C2CC2)c1	863387043	QRPIZGVBLTYGFL-UHFFFAOYSA-N	309.329	1.093	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)c1	863857566	RIYRENORNNUBKL-GFCCVEGCSA-N	313.361	1.225	50	20	DDGD	
Cc1nn2c(C=NNC(=O)c3c[nH]nc3C)c(C)nc2s1	765576188	JGCXGBOQJNMOAH-UHFFFAOYSA-N	303.351	1.203	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3ccn(C)c3)n[nH]2)cc1	763741483	BETKZVVUSVMYBJ-UHFFFAOYSA-N	323.356	1.798	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc2c(c1)nc(O)n2C)C(F)(F)F	862309692	SZUGERGMDWMRLY-ZCFIWIBFSA-N	302.256	1.464	50	20	DDGD	
CCO[C@H](CC(=O)NNC(=O)c1cccc(C#N)c1)C(C)C	760503320	PRGJEINNQJCVNY-CQSZACIVSA-N	303.362	1.770	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=Cc2cccnc2N(C)C)c1	1117526562	PPJIGTHAPLSMLN-UHFFFAOYSA-N	311.389	1.978	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Cn1ccnc1C(C)C	874449884	GOZCOXKXUBWIIV-UHFFFAOYSA-N	316.361	1.476	50	20	DDGD	
CC(C)(C)OCC(=O)NNC(=O)c1nc2ccccc2s1	874914167	MUDNRBMAIFOSIS-UHFFFAOYSA-N	307.375	1.872	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)Nc2ccccn2)nn1C(C)C	874955655	CTYJJQBZVLDLGX-UHFFFAOYSA-N	318.406	1.799	50	20	DDGD	
CCCCN(CC)C(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1118764131	KXWLLHDVBNEKKS-MFKMUULPSA-N	319.243	1.925	50	20	DDGD	
CC(C)(C)Oc1cccc(C=NNC(=O)C(=O)N2CCCC2)c1	872347404	NYOTVANEBMZOAE-UHFFFAOYSA-N	317.389	1.936	50	20	DDGD	
CON(C)C(=O)[C@H](C)NC(=O)NNc1ccc(C)cc1Cl	875894429	PPNMYVZGAUKCQS-VIFPVBQESA-N	314.773	1.683	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NN=Cc1ccc(F)nc1	777444472	WKCFSIZGAAOJFJ-UHFFFAOYSA-N	324.356	1.976	50	20	DDGD	
O=C(NNC(=O)c1cc(OCC(F)F)ccn1)c1ccccn1	777969154	QLMWZIXWVTUFNR-UHFFFAOYSA-N	322.271	1.195	50	20	DDGD	
CC(=O)N(CCc1ccccc1)CC(=O)NCCCSC#N	773584274	CWHCFRXZXSUDCB-UHFFFAOYSA-N	319.430	1.798	50	20	DDGD	
COC(C)(C)CNC(=O)NNC(=O)c1nc2ccccc2s1	872910661	BWCATDMIIXSZDW-UHFFFAOYSA-N	322.390	1.665	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCN1c2ccccc2C[C@@H]1C	875174470	VYMJYNZQVKHDGG-NSHDSACASA-N	306.366	1.350	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCOC(C)(C)[C@@H]2C)c1	777599432	JOZRZYGMPZODCP-ZDUSSCGKSA-N	319.405	1.255	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)Cc2cncn2C)c(C)c1	873759230	LUTQHUVSRWYARL-UHFFFAOYSA-N	317.418	1.597	50	20	DDGD	
CSC1CCN(CC(=O)NNC(=O)c2cccc(C)c2)CC1	879098345	BXLLEZMJVFEERB-UHFFFAOYSA-N	321.446	1.583	50	20	DDGD	
CSCCNC(=S)NNC(=O)C[C@@H](C)c1ccncc1	770240774	RCWCKABINYZDDB-SNVBAGLBSA-N	312.464	1.434	50	20	DDGD	
CCC[C@@H](C)CC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	772064475	CRCPZDRTVIPVMN-VXGBXAGGSA-N	300.399	1.938	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnn(C)c1-c1ccccc1	775529983	XTNUXULGJGRHRN-UHFFFAOYSA-N	315.377	1.831	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=C1CC[C@@H]2C[C@H]12	872380644	APDCBOALUGUOBO-NTZNESFSSA-N	305.378	1.805	50	20	DDGD	
CCn1nccc1C(=O)NNc1ccccc1S(C)(=O)=O	775878253	ZGOJWZSJSKQDKM-UHFFFAOYSA-N	308.363	1.063	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H]1CC[C@@H](C)C1	776337840	AOYDYUYOYVNJCI-PWSUYJOCSA-N	300.362	1.840	50	20	DDGD	
NC(=O)N1CCC[C@@H](C(=O)NNc2ccc3ccccc3n2)C1	777465903	VZEDEYUFNRQUHF-GFCCVEGCSA-N	313.361	1.469	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@@H]1c1ncccn1	878976961	XZIJRXZDVNCEMZ-QWHCGFSZSA-N	319.409	1.196	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1cccnc1N1CCCC1	875713241	LDQVEYNCRCPZHS-UHFFFAOYSA-N	307.354	1.094	50	20	DDGD	
NC(=O)CCOc1ccccc1NC(=O)NCC(Cl)Cl	878355702	LPAOUSGUZIESDL-UHFFFAOYSA-N	320.176	1.866	50	20	DDGD	
Cc1cc(NNC(=O)c2cnn(C)c2Cc2ccccc2)ncn1	770495429	ORDJBDCNLRYBRX-UHFFFAOYSA-N	322.372	1.866	50	20	DDGD	
COc1ccnc(NNC(=O)C(=O)Nc2cc(C)ccc2F)n1	773725931	BSRDXMGVQSWQIY-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
CCC1=C(C(=O)NNC(=O)c2ccc(C)c(O)c2)CCCO1	882049553	BMJKPWGLHBIWTJ-UHFFFAOYSA-N	304.346	1.936	50	20	DDGD	
O=C(NN=Cc1ncc(C2OCCO2)s1)c1ccc(O)cc1	772989696	HIGQMWHJCJOOJP-UHFFFAOYSA-N	319.342	1.658	50	20	DDGD	
COc1cc(Cl)ccc1NC(=O)NNC(=O)Cc1cc[nH]n1	776086875	NHCUXGBWMNHBOT-UHFFFAOYSA-N	323.740	1.467	50	20	DDGD	
CCS[C@@H]1CCC[C@@H](NC(=O)NNC(=O)c2cccnn2)C1	883493493	MRTQEXYYAXAZBM-GHMZBOCLSA-N	323.422	1.485	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@](C)(O)CCc1ccccc1	887148264	UZYFZZUGOMVLKP-QGZVFWFLSA-N	302.374	1.321	50	20	DDGD	
O=C(NN=CCCc1ccc2c(c1)OCCO2)c1cnccn1	774588401	AZOZFINJGFYZES-UHFFFAOYSA-N	312.329	1.596	50	20	DDGD	
CC1(OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCC1	772945846	KKDVTOFHFSCPTM-UHFFFAOYSA-N	307.306	1.315	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCc1ccc(C)n(C)c1=O	787344515	ACOQFVJTSBSGMJ-UHFFFAOYSA-N	318.352	1.968	50	20	DDGD	
O=S(=O)(CCCCl)NCC[C@@H]1COc2ccccc2O1	881995372	NXLBVYJCQZDWPV-LLVKDONJSA-N	319.810	1.765	50	20	DDGD	
CSCCCCCCNC(=S)NNC(=O)NC1CC1	782197613	MGYHKMQDQIUWNB-UHFFFAOYSA-N	304.485	1.751	50	20	DDGD	
N#CC[C@@H](CC(=O)NNC(=O)C1CCOCC1)c1ccccc1	883069779	VXFXITQPOJLMAQ-HNNXBMFYSA-N	315.373	1.648	50	20	DDGD	
CN1N=C(C(=O)NNc2c(F)cc(F)cc2F)CCC1=O	885150833	MGDJMYBBVDIJSA-UHFFFAOYSA-N	300.240	1.155	50	20	DDGD	
CC(=NNC(=O)c1cccc(S(C)(=O)=O)c1)[C@@H]1CCCO1	783828500	UILJLHFOOBNLJV-ZDUSSCGKSA-N	310.375	1.375	50	20	DDGD	
O=C(/C=C\c1ccc(Cl)cc1)NNC(=O)C1CCOCC1	894096484	XCLQPAZOVZSMRO-UTCJRWHESA-N	308.765	1.927	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1cnc(N2CCOCC2)s1	787763346	LWBOARFXJNLPST-ZHACJKMWSA-N	322.390	1.040	50	20	DDGD	
Cc1ccc(C(F)(F)C(=O)NNC(=O)c2cc(C)[nH]n2)cc1	780650329	PHJPMCKLCGSOBW-UHFFFAOYSA-N	308.288	1.580	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CCc1cncc(C)c1	794316470	RZEYBJPFGJWLAW-UHFFFAOYSA-N	313.357	1.792	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNC(=O)CC2CC2)cc(C)c1Cl	799834717	IDOMFMLZZQSJRL-UHFFFAOYSA-N	323.780	1.843	50	20	DDGD	
CCCn1cc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])nn1	790588064	AGISGWLVGFHEFL-UHFFFAOYSA-N	308.273	1.492	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)Cc2occc2C)cc1	795151893	MAPXGKLJRKJAGK-UHFFFAOYSA-N	315.373	1.789	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C2CC(C)(C)C2)c1	794612352	AOVUYHFSVOIBHL-UHFFFAOYSA-N	306.362	1.901	50	20	DDGD	
O=C(NN=Cc1ccc2occc2c1)[C@H]1CCS(=O)(=O)C1	794889115	PBAQBDULWOMEPI-LBPRGKRZSA-N	306.343	1.318	50	20	DDGD	
COC(=O)N(C)N=Cc1cc(O)cc(Br)c1O	794961479	VDVXFCOBSSKFAO-UHFFFAOYSA-N	303.112	1.892	50	20	DDGD	
Cc1ccc(-n2cnnc2)c(C(=O)NNc2ccnc(F)c2)c1	797977459	QMPREAPSQJZZSB-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cc2nccnc2cc1F	792483011	WMKXHFAQBUYFMX-UHFFFAOYSA-N	323.291	1.569	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C(C)c1cc(C)n(C)n1	799867529	CYNYKWKDCHCGLV-UHFFFAOYSA-N	316.361	1.656	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNC(=O)c1ccccn1	790097109	OKQIADDFBJPUHE-UHFFFAOYSA-N	300.318	1.259	50	20	DDGD	
O=C(CC1OCCO1)NNc1ccc(F)cc1Br	793709400	QVWZEAMVOYDIJM-UHFFFAOYSA-N	319.130	1.794	50	20	DDGD	
COc1ccc(C(=O)NNc2ccnc(F)c2)cc1OCCO	798338401	OQYSIYMTTAKTIE-UHFFFAOYSA-N	321.308	1.357	50	20	DDGD	
CN(CCCNC(=O)c1cccc(CCl)c1)S(C)(=O)=O	692465484	HTGUKOOCYSWLIE-UHFFFAOYSA-N	318.826	1.437	50	20	DDGD	
COCc1cc(C(=O)NNc2nc(O)c3ccccc3n2)no1	1319266359	LSQOKKYXYKJYMJ-UHFFFAOYSA-N	315.289	1.227	50	20	DDGD	
N#CC1=CC(C(=O)Nc2nnc(-c3ccncc3)s2)=S=C1	1319274468	JMMOZDKFGHFXRW-UHFFFAOYSA-N	313.367	1.710	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cccc(C#N)c1)CC(C)C	1319600299	TUQXSDVWGUEALK-UHFFFAOYSA-N	302.378	1.297	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1n[nH]c2c1CCCC2)c1ccsc1	1328991246	WXDPBFBDLCIIMV-SECBINFHSA-N	318.402	1.915	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)Nc2cccc(Cl)n2)n1	1327717411	YHBRVJVJPLGDQW-UHFFFAOYSA-N	320.740	1.224	50	20	DDGD	
Cc1ccnc(O)c1C(=O)NN=c1sc2ccccc2n1C	1323565374	DBAYURFBOYTNLP-UHFFFAOYSA-N	314.370	1.895	50	20	DDGD	
C[C@H]1CCC[C@]1(C)C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1324352637	QPBMPBPSZIOPGN-QFYYESIMSA-N	304.394	1.876	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1nccc(Cl)c1F	1326379705	BAFVUEKATHOEAQ-RQJHMYQMSA-N	301.705	1.060	50	20	DDGD	
O=C(NCc1ccc2c(c1)CCC2)NNc1ncncc1F	1327777859	OYIIGYMGVDDPJI-UHFFFAOYSA-N	301.325	1.931	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cnn(Cc2cccnc2)c1	1320252174	APBDGJFZZZFEDE-NSHDSACASA-N	316.365	1.525	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1	1339886756	WENYMYVKBAOWCP-LPEHRKFASA-N	324.406	1.582	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2cc(F)c(F)c(F)c2)n1	1333195883	IUZDVOMYKCRFLA-UHFFFAOYSA-N	324.262	1.615	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)[C@@H]1CCCN(CC(F)F)C1	1330415820	WWGCQTAQFPZRKT-SECBINFHSA-N	318.755	1.577	50	20	DDGD	
COc1cc(C)cc2c1OCCC2=NNC(=O)C[N+](C)(C)C	1337811438	DDUNWFHECJISNF-UHFFFAOYSA-O	306.386	1.313	50	20	DDGD	
COC(=O)N1CC(C)(NC(=O)[C@H](Br)C(C)(C)C)C1	1337368943	RMEOLSOJMQHCJZ-QMMMGPOBSA-N	321.215	1.753	50	20	DDGD	
Cc1c(C(=O)NNc2ccc(Cl)nn2)ccc2cncn12	1254449317	ZRHUVICVYGDUHC-UHFFFAOYSA-N	302.725	1.843	50	20	DDGD	
Cc1sc(NC(=O)C(=O)NNc2ccncn2)nc1C(C)C	1333322016	OCWXUVLHUIMEPQ-UHFFFAOYSA-N	320.378	1.447	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1n[nH]cc1Br	1346208907	OBIJTQXWHZLKOV-UHFFFAOYSA-N	320.216	1.080	50	20	DDGD	
CC(C)CN1CCC[C@H]1C(=O)NNc1nc2ccccn2n1	1347021816	SRRADCYUHPRETE-LBPRGKRZSA-N	302.382	1.293	50	20	DDGD	
Cc1c(NNC(=O)NCC[C@@H]2CCOC2)cccc1C(=O)O	1600053639	MGEMMNCCJLCIEQ-LLVKDONJSA-N	307.350	1.746	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC(C)(C)CC(=O)O)cc1	1607206192	LKBRVONQRDPLGE-UHFFFAOYSA-N	323.349	1.140	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)O)CCCCC1)[C@@H]1CCCS1	1605814670	NGKGVFCCPCKCSQ-VIFPVBQESA-N	300.380	1.065	50	20	DDGD	
CC[C@@H]1COCC1=NNC(=O)[C@H]1CCCO[C@H]1c1nccn1C	1549317120	TYBVGIHBKZNWLU-MBNYWOFBSA-N	320.393	1.416	50	20	DDGD	
Cc1ccc(F)c(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)c1	1549319120	SOVXMOCLYHIHEH-UKRRQHHQSA-N	305.353	1.447	50	20	DDGD	
Cc1nccn1CCCC(=O)NNc1cccc(C(=O)O)c1F	1610564529	AUZCNWGJGFLEIH-UHFFFAOYSA-N	320.324	1.952	50	20	DDGD	
CNC1CCN(S(=O)(=O)c2ccc(CCl)cc2)CC1	1578608527	GIIHVSXXJXETNH-UHFFFAOYSA-N	302.827	1.798	50	20	DDGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)C2(CN)CC2)cc1	1575813040	MLIPLVHVBHKELD-UHFFFAOYSA-N	322.434	1.530	50	20	DDGD	
C[C@@H]1CN(C(=O)/C(C#N)=C/c2ccc(O)cc2)CC[C@@H]1C(=O)O	1589365892	ANFCTPIJPCIJQI-XLFIVMGGSA-N	314.341	1.868	50	20	DDGD	
C[C@H](CC(=O)O)NC(=O)NNC(=O)c1cccc2ncccc12	1589001584	MUSPPPOVTNFSFD-SECBINFHSA-N	316.317	1.042	50	20	DDGD	
NC[C@@H]1OCC[C@H]1C(=O)NNc1cc(Cl)nc2ncccc12	1580278065	CIIVKPLNHSFUTM-KOLCDFICSA-N	321.768	1.090	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@]2(c3ccccc3)C[C@@H](N)C2)nc1	1580071938	VVNIVVNBTQMUGC-CZIWCDLHSA-N	307.357	1.455	50	20	DDGD	
CO[C@]12CCC[C@@]1(C(=O)NNc1cccc(C(=O)O)c1)CCO2	1599327526	PREXFMTVUXFTNT-HOTGVXAUSA-N	320.345	1.761	50	20	DDGD	
COCC1(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](F)Cl)CC1	1847797948	CGXZCUCJVLRIRW-DCAQKATOSA-N	318.776	1.149	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)C(C)(C)F)C1	1842849551	BKCGMEMTLHAEQR-JTQLQIEISA-N	304.793	1.955	50	20	DDGD	
Cn1c(=NNC(=O)[C@]2(C(=O)O)CC2(C)C)sc2ccccc21	1594515574	KFDFAESYTXPGPR-HNNXBMFYSA-N	319.386	1.673	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)CCc2ccccc2C(=O)O)CCCO1	1593756288	LRFKJGVSMIYTTA-MRXNPFEDSA-N	320.345	1.034	50	20	DDGD	
Cc1c(CNS(=O)(=O)CCCCl)cccc1[N+](=O)[O-]	231876597	NXZKDKSORFFLII-UHFFFAOYSA-N	306.771	1.952	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)O)nc1)c1ccc(O)c(Cl)c1	1776044439	KJRPLIRZIRBRPV-UHFFFAOYSA-N	319.704	1.903	50	20	DDGD	
CCNC(=O)COc1ccc(/C=C(\C#N)C(=O)OC)cc1OC	7154540	TXMFPGVMUCYWBY-KPKJPENVSA-N	318.329	1.290	50	20	DDGD	
CNCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Cl)C2	1796040202	XNZGTKJCSJSLJG-LSCVPOLPSA-N	319.808	1.159	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)COc1cccc(C)c1	12403186	WYEQGCBIFYRCPB-UHFFFAOYSA-N	314.341	1.844	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNC(=O)c1cccn1C	151560678	CDZFJPAGEDNWAR-UHFFFAOYSA-N	304.350	1.142	50	20	DDGD	
O=C(Cc1c[nH]c2ncccc12)NNC(=O)CC1CCCC1	153563843	AVMRWFQCRBHTIJ-UHFFFAOYSA-N	300.362	1.833	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2ccc(C(F)(F)F)cc2)CCN1	159840492	KURDBDFRRGNZIA-QMMMGPOBSA-N	301.268	1.675	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)Cc1ccn(C)n1	862290227	RIDKABMTPKCAHV-UHFFFAOYSA-N	302.334	1.262	50	20	DDGD	
O=C(NNS(=O)(=O)c1cccc(F)c1)c1ccccc1F	7428853	KIDNOWBJFHYSMS-UHFFFAOYSA-N	312.297	1.588	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccc(OC(C)C)nc2)nn1	106260824	KUOAAAWMKKJXRG-UHFFFAOYSA-N	316.365	1.794	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCOc1cc(C)cc(C)c1	65205779	UGASYQSLJAUKCF-UHFFFAOYSA-N	323.393	1.439	50	20	DDGD	
O=C(CCCc1ccc(Cl)cc1)NNC(=O)[C@@H]1CCCO1	58248560	OLIMOPLNJRUERG-ZDUSSCGKSA-N	310.781	1.989	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)[C@@H]1CCCOC1	104633873	XESJCTWUHUNNIY-CYBMUJFWSA-N	301.346	1.215	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)[nH]1	119086187	COZBWDCBTOFCCX-UHFFFAOYSA-N	315.329	1.478	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccc(Cl)nn2)s1	118502544	OCXLGIOVWOBEOF-UHFFFAOYSA-N	312.738	1.735	50	20	DDGD	
CC(C)NC(=O)CCCC(=O)NNc1ccc(C(C)(C)C)nn1	118527722	NHQJFICEGWDQPK-UHFFFAOYSA-N	321.425	1.912	50	20	DDGD	
Cc1ccnc(NNC(=O)Cc2cc3ccccc3[nH]c2=O)c1	176760874	LHLNYDZFSQSWSQ-UHFFFAOYSA-N	308.341	1.917	50	20	DDGD	
CC(=O)Nc1ccc(F)c(C(=O)NNC(=O)c2ccccc2)c1	52930519	CVRLSMPPHCXQEV-UHFFFAOYSA-N	315.304	1.859	50	20	DDGD	
O=C(/C=C/c1ccco1)NNC(=O)NCCc1cccs1	65204359	JDVRQMHOQICBOP-AATRIKPKSA-N	305.359	1.927	50	20	DDGD	
O=C(NCCCOC1CCCC1)NNC(=O)c1ccccc1O	64242066	LNSVAIFPFMLLMJ-UHFFFAOYSA-N	321.377	1.686	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1	68194874	OKFPWMJTJAAPGI-OKILXGFUSA-N	319.405	1.255	50	20	DDGD	
COC(=O)c1ccc(CCC(=O)NNc2ncccn2)cc1	68262448	VIOVUOSJDHOYJJ-UHFFFAOYSA-N	300.318	1.339	50	20	DDGD	
Cc1sc(=O)n(CCC(=O)NNC(=O)OC(C)(C)C)c1C	115315749	LJEBALDFQSQQTM-UHFFFAOYSA-N	315.395	1.473	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CCc1ccoc1	177176469	HPEWJOFAYHFIHO-UHFFFAOYSA-N	302.330	1.611	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)Cc2ccccc2F)c1C	66775238	NPBYUDNWUWTOTC-UHFFFAOYSA-N	318.352	1.663	50	20	DDGD	
CCCSCC(=O)NNC(=O)COc1ccccc1OC	63638813	DYIJNOXKSGTCCH-UHFFFAOYSA-N	312.391	1.365	50	20	DDGD	
Cc1cc(NNC(=O)c2cncn2-c2ccc(F)cc2)ncn1	172281461	XLDSYOVOCCZSNA-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
COc1ccnc(NNC(=O)c2ncoc2-c2ccccc2)n1	112042164	VDJWJPAHKWIURA-UHFFFAOYSA-N	311.301	1.897	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC2(C3CC3)CC2)cc1	1341036502	KTXBYYWEDWTQDH-UHFFFAOYSA-N	303.362	1.829	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1nnc2n1CCCCC2	117547378	QMKOZPNFNOXZTN-VIFPVBQESA-N	311.411	1.043	50	20	DDGD	
CC(=O)Nc1nc(C(=O)NNc2nccnc2Cl)cs1	114893470	SFHAXJOQLZUUGA-UHFFFAOYSA-N	312.742	1.302	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=S)N[C@H](C)C2CC2)cc1	171168517	BWPBDKWYCSACFV-LLVKDONJSA-N	307.419	1.668	50	20	DDGD	
Cc1cc(NNC(=O)c2c(C)c3ccccc3oc2=O)ncn1	176161995	JGLGMSBGNYQCGE-UHFFFAOYSA-N	310.313	1.957	50	20	DDGD	
C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2cccc(B(O)O)c2)o1	405022245	XRUKIDDTPXDGEN-XHDPSFHLSA-N	313.162	1.654	50	20	DDGD	
CC(C)(C)c1ccc(NC(=O)C(=O)NNc2cnccn2)cc1	122293216	IQSWVUBCDHWFSQ-UHFFFAOYSA-N	313.361	1.856	50	20	DDGD	
CC(=O)Nc1ccc(C)c(C(=O)NNC(=O)c2cccnc2)c1	186980395	DALGMAWLLCFKEF-UHFFFAOYSA-N	312.329	1.423	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCc1cccc([N+](=O)[O-])c1	120672005	PHLJZJSRHICVPF-UHFFFAOYSA-N	308.363	1.209	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[C@H]1CCO	188470261	GZEVJTOQZBDBID-GWCFXTLKSA-N	308.338	1.772	50	20	DDGD	
C=CCOC(=O)/C(C#N)=C/c1cc(OC)c(O)c([N+](=O)[O-])c1	35584334	BELWJSYRSKMGOG-BJMVGYQFSA-N	304.258	1.945	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(F)cn2)c1	184060345	HNBQTHMCQAWTBF-UHFFFAOYSA-N	317.320	1.678	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2ccc(C)c(F)c2)n1	181523164	WHTFFLMXAQDUSO-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1ccccc1-n1cccn1	183999467	VJGNNKFRPZGZBR-UHFFFAOYSA-N	324.344	1.677	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Cc2ccc(F)cc2)cc1	44816695	WCWMJMNTEMKTOL-UHFFFAOYSA-N	316.332	1.903	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@]2(C)CCOC2)c2ccccc2n1	1344549661	LKMQQUHEJMONPT-KRWDZBQOSA-N	313.357	1.731	50	20	DDGD	
NC(=S)c1ccc(C(=O)NNC(=O)NC2CCCCC2)cc1	193461959	DVXGRTQRHUNATI-UHFFFAOYSA-N	320.418	1.598	50	20	DDGD	
COC[C@H](C)CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	194614540	AUDAKVXJHNECTB-LHDJSAJTSA-N	300.362	1.511	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)COc2ccc(C#N)cc2)s1	195331523	RZEIEFPNIWOLHE-UHFFFAOYSA-N	316.342	1.163	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cc(-c2ccccc2)on1	198942166	ADNGMNGMZOXEDB-UHFFFAOYSA-N	315.329	1.529	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)NCCc1cccs1	144928605	UTWCCHQDZJKNFU-UHFFFAOYSA-N	300.453	1.767	50	20	DDGD	
CSc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)c2ccc[nH]2)c1	96989480	SKGODEZUFPAXJN-UHFFFAOYSA-N	320.330	1.720	50	20	DDGD	
CCOC(=O)NCCC(=O)Oc1ccc([N+](=O)[O-])cc1OC	263675789	GDAULNAZSJCLNU-UHFFFAOYSA-N	312.278	1.645	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc([N+](=O)[O-])cc1	269085544	XNWGZSVKQOENJF-VIFPVBQESA-N	324.337	1.951	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CN2CCCCCCC2=O)n1	266925183	MBSPOKSMVGTEQV-UHFFFAOYSA-N	321.381	1.029	50	20	DDGD	
C[C@@H]([C@@H](C)NC(=O)NN(C)c1ccccc1)N1CCOCC1	265509124	FOELMHFOENHRGH-KGLIPLIRSA-N	306.410	1.446	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CC(=O)N(C2CCC(C)CC2)C1	367666047	PXTRKGHZZMCOCL-CXQJBGSLSA-N	311.382	1.143	50	20	DDGD	
C[C@@H]1C[C@@H](N2CCOCC2)CN1CCI	368508450	SEFUMLDFWKPPJF-GHMZBOCLSA-N	324.206	1.216	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)NO[C@@H]1CCCCO1	275152430	SFOBJZTUYLZBLT-CYBMUJFWSA-N	319.317	1.835	50	20	DDGD	
COC(=O)NNC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1	276759182	HMTZPFBHBUUDLN-QMMMGPOBSA-N	311.725	1.080	50	20	DDGD	
COC(=O)NNC(=O)CCCCNC(=O)OCc1ccccc1	274325230	YIKDIRJWMPHZDM-UHFFFAOYSA-N	323.349	1.470	50	20	DDGD	
CC(C)C(C)(C)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	275905617	NTOGHBVHAHKKNH-UHFFFAOYSA-N	306.362	1.901	50	20	DDGD	
CN1C(=O)CN(NC(=O)CCCC[C@H]2CCSS2)C1=O	271458840	WQAKXIVQKPMENP-VIFPVBQESA-N	317.436	1.626	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(O)nc(C(C)C)c1	274017463	BCYRQGQNRPLLOQ-UHFFFAOYSA-N	303.322	1.466	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2ccc(C)nn2)[C@@]12CCCO2	273743971	VANWFGWBUOOAMB-ZOWXZIJZSA-N	321.381	1.138	50	20	DDGD	
O=C(NNc1cccc(F)n1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	376335729	VXDHRTIAALVNLG-WQAKAFBOSA-N	306.341	1.804	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)Nc1cnc2ccccc2c1	274069909	JUXHRHVTIKZPIL-UHFFFAOYSA-N	312.329	1.121	50	20	DDGD	
O=C(NNc1nnc(C2CC2)s1)c1ccc2nc[nH]c2n1	273619497	MFXZBOGSRHOTHZ-UHFFFAOYSA-N	301.335	1.444	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@H]2CCC(F)(F)C2)n1	280543914	IEVNPESBSGPGHA-QMMMGPOBSA-N	301.297	1.547	50	20	DDGD	
C[C@@H]1COCC[C@@H]1CNC(=O)NNC(=O)c1ccc(C#N)cc1	288354470	YFIXKRMQJURPLM-BXUZGUMPSA-N	316.361	1.175	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(N(C)C)c2ccccc2n1	286211197	FDEQEACMGMTXAP-UHFFFAOYSA-N	302.334	1.644	50	20	DDGD	
Cc1sc(=O)n(CC(=O)NNC(=O)Nc2ccccc2)c1C	801990512	NJUOXSMPNPWNQW-UHFFFAOYSA-N	320.374	1.380	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)Nc1cc(F)cc(F)c1	802004752	NCUWYAZBWGSZAV-UHFFFAOYSA-N	310.235	1.965	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)CSC2CC2)c1	294343637	LLWFSLKAVKXIKL-UHFFFAOYSA-N	308.403	1.725	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cccc(N2C(=O)CCC2=O)c1	298798890	HXHSROUVYHWZHE-UHFFFAOYSA-N	317.345	1.147	50	20	DDGD	
O=C(Cc1n[nH]c2c1CCCC2)NNC(=O)CC1CCCC1	806723476	BBQGLKSPXROJCI-UHFFFAOYSA-N	304.394	1.559	50	20	DDGD	
CO[C@H]1CCCC[C@H]1NC(=O)NNc1ncc(F)cc1F	297790919	DROPSMMGLNSXLZ-MNOVXSKESA-N	300.309	1.944	50	20	DDGD	
Cc1ncsc1CCNC(=O)NNc1cncc(Cl)n1	297571943	QOFSKVVPMAVISV-UHFFFAOYSA-N	312.786	1.764	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1csc(C(C)=O)c1	294655451	SMEGPFGKEAHZOD-UHFFFAOYSA-N	317.461	1.423	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)c2ccnc(N(C)C)c2)nn1	807973134	VPBSUVPDHHZYPB-UHFFFAOYSA-N	301.354	1.084	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	293103265	PBGNZDBIZQPINC-FZMZJTMJSA-N	322.361	1.179	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CCC(C)(C)[N+](=O)[O-]	294718693	AUHJFIJMVATEEN-UHFFFAOYSA-N	323.349	1.221	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1)C1CC1	291003660	UCHLPJSQFHEGFE-HWPZZCPQSA-N	324.352	1.556	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CN(C)[C@@H]1CCSC1	805379564	HYONFTVLTFQBLA-GFCCVEGCSA-N	324.406	1.784	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc(C2OCCO2)c1	808855227	UXPLIIMYSXEYHY-UHFFFAOYSA-N	308.338	1.430	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCCSC1	811412492	RJZKTCVJTVZNOT-WDEREUQCSA-N	316.423	1.255	50	20	DDGD	
COc1ccc(C(=O)NNc2cnnn2C)cc1-c1ccccn1	816770448	XYNHOAMDBSDBES-UHFFFAOYSA-N	324.344	1.643	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1C(=O)NNc1nc(O)c2cnn(C)c2n1	819286161	MNAHCCFQJFDBNN-BDAKNGLRSA-N	304.354	1.338	50	20	DDGD	
COCCN1[C@H]2CC[C@H]1CC(=NNC(=O)c1cccnc1)C2	814686788	ALVMZTQYFZVHPD-GJZGRUSLSA-N	302.378	1.441	50	20	DDGD	
O=C(NN=CCC(F)(F)F)c1csc(N2CCOCC2)n1	817323733	IGEZNPLBXYQREN-UHFFFAOYSA-N	322.312	1.648	50	20	DDGD	
Cn1nnc(Br)c1C(=O)NNc1ccc(C#N)cc1	810681867	ZFHUIJCGSRDDAH-UHFFFAOYSA-N	321.138	1.206	50	20	DDGD	
Cc1c(NC(=O)NNc2ncncc2F)cccc1[N+](=O)[O-]	814487763	XOANTFPLGXYQDI-UHFFFAOYSA-N	306.257	1.981	50	20	DDGD	
Cc1cc(NC(=O)NNc2nc3ccccn3n2)nn1C(C)C	817358839	RDOHOLPRXPCVJA-UHFFFAOYSA-N	314.353	1.964	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc([N+](=O)[O-])ccc1CC	810316338	YZUKQCCLWUCLIW-UHFFFAOYSA-N	310.310	1.346	50	20	DDGD	
CC(Cc1cccs1)=NNC(=O)CNC(=O)c1ccco1	729639020	QXSFPWNCMKGLSE-UHFFFAOYSA-N	305.359	1.806	50	20	DDGD	
O=C(Cc1cccc(-c2nn[nH]n2)c1)NNc1ccc(F)cc1	823103241	BBJJFKXUUMRQQG-UHFFFAOYSA-N	312.308	1.692	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1ccc(F)cc1F	825808473	YJJWGTCNZHPENK-KCJUWKMLSA-N	313.304	1.220	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1cn(C2CC2)nn1	822736319	MXUFINDVSWYLFY-UHFFFAOYSA-N	319.296	1.296	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1ccc(Cl)s1	825596115	ZLIJFXILEHZVGZ-IONNQARKSA-N	317.798	1.657	50	20	DDGD	
CN(CCC(=O)NNC(=O)C1CC1)C(=O)OCc1ccccc1	492432054	CXEMUBNMBISYCF-UHFFFAOYSA-N	319.361	1.203	50	20	DDGD	
C=CC(C)(C)C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1	828392295	ROHCHVBVLYGMMG-UHFFFAOYSA-N	323.780	1.316	50	20	DDGD	
COCCOC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(O)cc1	491085968	SOIMYQMURMBHKK-IGVUGNCQSA-N	304.346	1.467	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccnc1SC(F)F	825123212	HFBCGTCXYJKQEM-UHFFFAOYSA-N	318.374	1.691	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc3c(c2)CCOC3)o1	829831761	RLKOVZFGPBEMIJ-UHFFFAOYSA-N	300.314	1.736	50	20	DDGD	
C[C@@]1(C(=O)NNc2nc3ccccc3[nH]c2=S)CCNC1=O	824823667	INSCADMOMIJUGG-CQSZACIVSA-N	317.374	1.262	50	20	DDGD	
O=C(NCC(F)(F)F)NN=Cc1nc(-c2ccccc2)no1	726420541	PYWONPOVUCUTOO-UHFFFAOYSA-N	313.239	1.932	50	20	DDGD	
Cc1ccc(C)n1-c1nc(CC(=O)NN(C)C[C@H](C)O)cs1	821218311	XWKINMADDBBNEG-LBPRGKRZSA-N	322.434	1.437	50	20	DDGD	
O=C(CC[C@@H]1CC1(Cl)Cl)NNC(=O)Cc1cc[nH]n1	826667491	PMHZXNDQCFNKAQ-SSDOTTSWSA-N	305.165	1.074	50	20	DDGD	
O=C(/C=C/c1ccc[nH]1)NNC(=O)c1ccc(Cl)cc1O	492858314	YYGFEVPHMPMGSY-GQCTYLIASA-N	305.721	1.848	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1CCc2ccc(O)cc21	822672785	VQNJKCKBJVEDMJ-WFBYXXMGSA-N	319.361	1.135	50	20	DDGD	
OB(O)c1cccc(CN[C@H]2CCOc3c(F)ccc(F)c32)c1	585043026	JNFOWQLOZQHRGJ-AWEZNQCLSA-N	319.116	1.258	50	20	DDGD	
CC(C)[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CCS1	827289330	ROAMVMNTMSDDOV-TUAOUCFPSA-N	315.439	1.226	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1CSCCS1	826446619	RWWIYVQLXDRLGV-SNVBAGLBSA-N	322.419	1.158	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc2c(cc1Cl)OCCO2	494472982	UBBHFKQOACLPBU-UHFFFAOYSA-N	315.713	1.894	50	20	DDGD	
CCCCCCOCC(=O)NNc1cccc(-c2nn[nH]n2)c1	825272004	UBQLJSHDYOCIGS-UHFFFAOYSA-N	318.381	1.907	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1C[C@@H](C)OC[C@H]1c1ccccc1	827944134	ALMIAWZDIGSFFW-HIFRSBDPSA-N	319.405	1.252	50	20	DDGD	
OB(O)c1ccc(CNCC2(c3ccc(F)cc3F)CC2)cc1	585031425	FTARJUPXCXSJOP-UHFFFAOYSA-N	317.144	1.466	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1CCCC1=NNC(=O)c1ncccn1	496038340	CZBGOIVLMRKSKJ-JTQLQIEISA-N	319.365	1.640	50	20	DDGD	
O=C(Cc1cccc(Cl)c1Cl)N1CC[C@@H](B(O)O)C1	585067515	XHSGELLKDQTRIF-SECBINFHSA-N	301.966	1.611	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)O)c1C	738067237	DKOAFUJRZVJTDE-QENILXLESA-N	320.345	1.675	50	20	DDGD	
OB(O)c1ccc(-c2noc(C3C[C@H]4[C@H](C3)C4(F)F)n2)cc1	585051625	KKXGBHRPGBPPPJ-QWRGUYRKSA-N	306.077	1.175	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1cccc(F)c1F	494539551	OLJWNSJDCGOXSO-UHFFFAOYSA-N	313.304	1.940	50	20	DDGD	
COCC[C@@H](NCc1ccccc1B(O)O)c1ccc(C)o1	585034033	MNYWBBWBEKPWFV-OAHLLOKOSA-N	303.167	1.135	50	20	DDGD	
COC(=O)NNC(=O)Nc1cccc(NC(=O)c2ccoc2)c1	490935632	LROCNQBOTVWWPV-UHFFFAOYSA-N	318.289	1.924	50	20	DDGD	
CCc1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cc1CC	585057881	NCEZNAAUCWIPOU-ZDUSSCGKSA-N	311.212	1.049	50	20	DDGD	
Cc1ccncc1/C=C/C(=O)NNc1ccc(-n2ccnc2)nn1	492921800	LTQCWQPBCUZMJN-GORDUTHDSA-N	321.344	1.522	50	20	DDGD	
C[C@H](CNC(=O)[C@]1(C)C[C@H]1Br)Cn1ccnc1	906765390	GSXUPDGTYYKOHG-CKYFFXLPSA-N	300.200	1.809	50	20	DDGD	
C[S@](=O)C1(CNC(=O)[C@]2(C)C[C@H]2Br)CCC1	907955953	YBYCNOSWDPXSRP-FUXNSRLFSA-N	308.241	1.577	50	20	DDGD	
CC(C)OC(=O)CC[C@H](C)NC(=O)/C(C#N)=C/c1cnn(C)c1	491129907	HVTURKXVMXLMSZ-FUEWVNAISA-N	318.377	1.564	50	20	DDGD	
C#CCCCC(=O)NN=Cc1ccc(OC)c(OC)c1OC	901320400	BTISJSFFNJVMIC-UHFFFAOYSA-N	304.346	1.966	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@H]2CCCCO2)c(OC)c1OC	834990615	UBBOFLSXPOIVKH-CYBMUJFWSA-N	322.361	1.732	50	20	DDGD	
CC(C)c1ccc2c(c1)C(=NNC(=O)c1cnn(C)c1)C(=O)N2	735414715	JJJYPWMOTREHMH-UHFFFAOYSA-N	311.345	1.630	50	20	DDGD	
COC(=O)c1ccc(/C=C(/C#N)S(=O)(=O)NC2CC2)c(F)c1	901496124	RSDNAFATYUYBDI-SDQBBNPISA-N	324.333	1.559	50	20	DDGD	
CCC[C@@H](C=NNC(=O)c1cccc(S(C)(=O)=O)c1)OC	834941995	VCXJXKIGHIXOEK-LBPRGKRZSA-N	312.391	1.621	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C(C)(C)NC(=O)O)c1ccccc1	736848128	MPCDPCAZLQFSNS-NSHDSACASA-N	307.350	1.374	50	20	DDGD	
COc1cc(CNS(=O)(=O)CCl)c2ccccc2n1	830708219	PABRLOFLXQXWGB-UHFFFAOYSA-N	300.767	1.859	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1cc(F)ccc1OC(C)C	901820724	CZYFLUBIBUTFJE-UHFFFAOYSA-N	306.315	1.162	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)c2cnn(C)c2)cc1OC	735413592	NXSHNTTXRQHMLO-UHFFFAOYSA-N	316.361	1.981	50	20	DDGD	
C[C@H]1C[C@@H](C)CN1CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	839493593	IAWBTSZUEADYEE-MNOVXSKESA-N	320.349	1.086	50	20	DDGD	
O=C(NC[C@@H]1CCCCS1)NNC(=O)[C@H]1CCCCO1	836429159	KUSIRIPJLIHQJU-WDEREUQCSA-N	301.412	1.172	50	20	DDGD	
CC(C)(C(=O)NNC(=O)COC[C@H]1CCCO1)c1ccccc1	731231691	ZASBPNZREVYLNS-CQSZACIVSA-N	320.389	1.307	50	20	DDGD	
CC1CCN(C(=O)COC(=O)/C(C#N)=C\c2cnn(C)c2)CC1	837969312	LIKKUKMEOFVCGX-AUWJEWJLSA-N	316.361	1.129	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1c[nH]nc1-c1ccco1	900001017	CHWZCLKLOADLSY-UHFFFAOYSA-N	307.379	1.577	50	20	DDGD	
C[C@H](O)C[C@H](CNCc1ccccc1B(O)O)c1ccccc1	585028731	PNFFDSNYZIKDTG-WMLDXEAASA-N	313.206	1.011	50	20	DDGD	
O=C(O)NCC(=O)NNc1ccc(Br)cc1Cl	738651449	DGTCNBSKMJGNBL-UHFFFAOYSA-N	322.546	1.813	50	20	DDGD	
CC(C)OC(=O)[C@H](C)N(C)C(=O)[C@@]1(C)C[C@@H]1Br	906991792	LWYFTTNPSDAXEX-AUTRQRHGSA-N	306.200	1.958	50	20	DDGD	
CN(C)c1cccc(C(=O)NN[C@H](C(=O)O)c2ccccc2)c1	830643567	KEFKAQBMWHAJRB-HNNXBMFYSA-N	313.357	1.813	50	20	DDGD	
Cc1ccc(N2CC[C@@H](NCc3ccccc3B(O)O)C2)cc1	585022892	CCQYRFZREDMTAU-MRXNPFEDSA-N	310.206	1.043	50	20	DDGD	
COCCOCc1ccc(CNS(=O)(=O)CCl)cc1	831597560	LKSMMCJPYUTPRR-UHFFFAOYSA-N	307.799	1.465	50	20	DDGD	
CSc1nc(C(C)C)nc(C)c1C(=O)NN(C)C[C@H](C)O	910172617	DHLGGPNGABBKNE-VIFPVBQESA-N	312.439	1.588	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCCO1)c1ccc(-n2cncn2)cc1	834988777	MNWWOKPESJLDRD-HNNXBMFYSA-N	313.361	1.677	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)CSC2CC2)cc1	831948743	BZSIYJKHFUBQBB-UHFFFAOYSA-N	308.407	1.801	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1CCN(c2cc(C)cc(C)c2)C1=O	837624042	VEXHXHXRWHAPMV-OAHLLOKOSA-N	319.405	1.266	50	20	DDGD	
C=C(CC)CNC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	838721498	YHLWFNSRRPLDGI-LLVKDONJSA-N	309.341	1.890	50	20	DDGD	
Cn1cc(/C=C\C(=O)NN=c2sc3ccccc3n2C)cn1	917107821	VKBCQIGRCZPZIQ-VCHIGZGGSA-N	313.386	1.619	50	20	DDGD	
O=C(COC(=O)C1CC2(CCC2)C1)NNC(=O)c1cccs1	830642335	NGFBGDVOFUOWQL-UHFFFAOYSA-N	322.386	1.633	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cccc(F)n1)N1CCCCC1	912733790	YWQWALZXYTXVQX-UHFFFAOYSA-N	308.357	1.246	50	20	DDGD	
C[C@@H](N)C[C@@H](C)NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	831197407	NLRVMPJJUAKECW-JGLRWDLQSA-N	322.453	1.659	50	20	DDGD	
CCOc1cccc(C=NNC(=O)[C@H](C)OCCOC)c1O	748259940	NJTNBTPTONFZQF-NSHDSACASA-N	310.350	1.293	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1cc(Cl)c(N)c(Cl)c1	841204436	ACRRRPXOLHTFFW-UHFFFAOYSA-N	320.180	1.467	50	20	DDGD	
CC(=NNC(=O)c1ccncc1)c1ccc(-n2cnnn2)cc1	918708269	GIJBKJGDZIVASK-UHFFFAOYSA-N	307.317	1.211	50	20	DDGD	
O=C(CSC(F)F)NNc1ncc(Br)cn1	848322513	DYOOYLVALWWMBJ-UHFFFAOYSA-N	313.127	1.638	50	20	DDGD	
CCO[C@@H](C)c1ncc(C(=O)NNC(=O)c2ccccn2)s1	742462991	JGGSSXMWJZTVOA-VIFPVBQESA-N	320.374	1.710	50	20	DDGD	
COc1cccc(OC)c1C(=O)NNC(=S)N[C@H](C)C1CC1	841482242	SBEGIAKNLJTGIQ-SECBINFHSA-N	323.418	1.611	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCCOCCO)cc1	740204998	NBCNVIYSGLGOPV-SDNWHVSQSA-N	305.330	1.544	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccccc1	843652397	SOHIWVAGAXENLJ-KFNAQCHYSA-N	306.362	1.121	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)CS(=O)(=O)CC(C)C	846643221	LUAANDXHPWGNPF-UHFFFAOYSA-N	318.370	1.348	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CC(C)(C)c1ccccc1	843650077	ZJJOHNXFRVPLDJ-OCCSQVGLSA-N	304.390	1.927	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H]1CCC(=O)NC1	840547235	DFOOAJYXMJIJSU-MRVPVSSYSA-N	311.773	1.223	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H]2CCCS(=O)(=O)C2)c1	845858159	HAZTUGNRHJJKTQ-SECBINFHSA-N	316.354	1.102	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[C@H]2CNC[C@H]2C1	842014627	IEGZEHJPQTUTAD-QJPTWQEYSA-N	319.365	1.609	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCC(F)(F)CN)c1ccccc1	841971707	SXOKXESOODLUMP-LLVKDONJSA-N	314.336	1.105	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1c[nH]c2ccccc12)[C@H]1CCOC1	841603754	FAAIYAKFNMKJEL-NHYWBVRUSA-N	301.346	1.935	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2ccc(C)cc2O)cnn1C	918338895	DZMTWOIRRGIQNO-UHFFFAOYSA-N	302.334	1.071	50	20	DDGD	
CC(=O)CCc1ccc(OCCC(=O)NN(C)C[C@@H](C)O)cc1	910170371	ZSTRMWZNLVMALN-CQSZACIVSA-N	322.405	1.321	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1C(=O)Nc2c(C)cc(C)cc21	748260885	ZMXHNCBNYNAKAO-LLVKDONJSA-N	319.361	1.127	50	20	DDGD	
CCCC(C)(C)C(=O)NNC(=O)[C@H]1COc2ccccc2O1	844280282	YTUDZMKSXWYVFH-CYBMUJFWSA-N	306.362	1.800	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(OC(C)C)c(C(C)=O)c1	848973369	JPUQDPSJBOWDHE-UHFFFAOYSA-N	321.377	1.983	50	20	DDGD	
CC1(C)CCC(C)(CNC(=O)NNC(=O)C(=O)NC2CC2)CC1	840426058	QDIQJFKLWXCIBJ-UHFFFAOYSA-N	324.425	1.202	50	20	DDGD	
CCCOc1cccnc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843660445	WMHUTNNLKRWHBR-QWRGUYRKSA-N	307.350	1.056	50	20	DDGD	
CS[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccccc1	843650946	IWXWIHGWUWFFHQ-UHTWSYAYSA-N	308.403	1.663	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccc(-n2cncn2)c(F)c1	844239565	KMMBHDJPPMZXSB-SDQBBNPISA-N	316.292	1.503	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1O)c1cc2n(n1)CCC2	841641030	PXTVSXMYDYCYRC-UHFFFAOYSA-N	314.345	1.454	50	20	DDGD	
Cn1c(NNC(=O)[C@H]2CCc3n[nH]cc3C2)nc2ccccc21	848379273	GCHVRDGSIOVBGG-JTQLQIEISA-N	310.361	1.545	50	20	DDGD	
C=C[C@H](C)ONC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	845638399	GUTLZWZRTRHXAL-NSHDSACASA-N	320.349	1.078	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCCN1c1ccccc1	843656308	PEBJUACHYUEHSI-NWANDNLSSA-N	317.389	1.228	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1cccc(OCC(=O)O)c1	842552598	BIXFEUOWEJMXHY-FZMZJTMJSA-N	320.345	1.415	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC[C@H](c2ccncc2)C1	846908009	NVWPMNWBKWEUJX-ZDUSSCGKSA-N	304.394	1.064	50	20	DDGD	
C=CCn1cc(C(=O)NNc2oc(C(C)C)nc2C#N)nn1	843778494	GBCGFNCSTMKMKZ-UHFFFAOYSA-N	301.310	1.204	50	20	DDGD	
CCCNC(=O)NNC(=O)CCc1c(C)nn(CCC#N)c1C	921039367	OIKPUOMUKFTQCG-UHFFFAOYSA-N	320.397	1.087	50	20	DDGD	
CCCOc1cccc(CC(=O)NNC(=O)c2ncccn2)c1	841350366	KCJKOTISQSROMS-UHFFFAOYSA-N	314.345	1.269	50	20	DDGD	
Cc1nccn1C[C@H](C)CNC(=O)NNc1ncc(Cl)cn1	856852935	HMEHLIAHNMGIAD-SECBINFHSA-N	323.788	1.597	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C)cc1Cl	755655807	RWRFNSOADDVSBL-VIFPVBQESA-N	312.753	1.751	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	755669809	HPKBIHRHLDTVCV-NSHDSACASA-N	308.382	1.578	50	20	DDGD	
CCNC(=O)C(C)(C)CNC(=O)NNc1cc(F)ccc1F	921565788	HCVQUVOUFWKKDL-UHFFFAOYSA-N	314.336	1.753	50	20	DDGD	
Cc1noc(CCCC(=O)NC[C@@]2(C)C[C@@H]2Br)n1	857397800	IYSRJYWOEJGWRC-JOYOIKCWSA-N	316.199	1.990	50	20	DDGD	
Cn1ccnc1CNC(=O)NC[C@]1(C)C[C@H]1Br	856835298	OXNRENKXDYJAMO-KCJUWKMLSA-N	301.188	1.393	50	20	DDGD	
COc1ccc(C(=O)NN=C2CCCn3nccc32)cc1OC	853259301	ABJUFNVIHXEAAL-UHFFFAOYSA-N	314.345	1.828	50	20	DDGD	
CCC(C#N)(CC)C(=O)NNc1nc(-c2ccncc2)no1	859072725	PNSGIXDNOIAGFZ-UHFFFAOYSA-N	300.322	1.905	50	20	DDGD	
COC(=O)c1coc(C=NNC(=O)CNc2ccc(C)cc2)c1	758073217	ITVMSUBTXWKTJX-UHFFFAOYSA-N	315.329	1.937	50	20	DDGD	
C[C@H](CNC(=O)NNc1cc(F)ccc1F)S(C)(=O)=O	921638888	DQQMOUYRBFHMDH-SSDOTTSWSA-N	307.322	1.024	50	20	DDGD	
COCc1cncc(C(=O)NNC(=S)N[C@H](C)C2CC2)c1	855096303	WQWUIAZOQKPJLY-SECBINFHSA-N	308.407	1.135	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)[C@@H]1CCCS(=O)(=O)C1	928337427	QTAAEVUGNNWRJY-SNVBAGLBSA-N	316.810	1.916	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cccc(OC(F)(F)F)c1	854922522	BESOEOFZFMJDDQ-UHFFFAOYSA-N	307.297	1.666	50	20	DDGD	
CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CC=C(C#N)CC2)c1	759088312	BTEBSNPPYUXLGD-UHFFFAOYSA-N	319.386	1.798	50	20	DDGD	
Cc1noc(C)c1S(=O)(=O)NC[C@]1(C)C[C@@H]1Br	856756497	PYCOUTARULJZTO-WPRPVWTQSA-N	323.212	1.743	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1nc(Cl)cs1	758099686	NULIBFYXFCIZAX-SECBINFHSA-N	316.814	1.215	50	20	DDGD	
C=CCCC(CC)=NNC(=O)CSc1nnc(O)nc1O	750932374	IECPVOSDISRPST-UHFFFAOYSA-N	311.367	1.223	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)N[C@@H]1CCC[C@@H]2OCC[C@H]21	852204489	CXTAHSCWACRFLH-UMNHJUIQSA-N	322.340	1.122	50	20	DDGD	
Cc1c(C(=O)NNC(=O)OCC(F)(F)F)cnn1C(C)C	856021920	MZFISXLEYDKNLT-UHFFFAOYSA-N	308.260	1.706	50	20	DDGD	
CC1CCN(C[C@H](C)NC(=O)NNC(=O)C2CCCC2)CC1	852278969	IJPSJTSFDSKFPT-ZDUSSCGKSA-N	310.442	1.627	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@H](c1ncc(C)s1)C1CC1	754413169	FMBZWTXCUDVUBG-CABZTGNLSA-N	310.423	1.438	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)C(=O)c2c(C)nn(C)c2C)c1	862475838	YVXKKMWANPAATH-UHFFFAOYSA-N	320.374	1.051	50	20	DDGD	
CC(=O)N[C@@H](CC(=O)NN[C@H](C)C(F)(F)F)c1cccs1	862306606	MUJGZYHAPQJGAA-APPZFPTMSA-N	323.340	1.887	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)CCCn2cccn2)c1	768711177	GKGVBISHUVKUGI-UHFFFAOYSA-N	304.741	1.727	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCC(=O)N1)c1cc(Cl)cc(C)c1O	863150416	UKXOVAYERGKKPV-LLVKDONJSA-N	309.753	1.473	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C2(c3cccc(F)c3)CC2)n[nH]1	869014990	ZMNPPIYXEQSOHU-UHFFFAOYSA-N	316.336	1.279	50	20	DDGD	
CCOc1nccc(C)c1C(=O)NNC(=O)c1cccn1C	764744240	HNPFNMZPAVUSCL-UHFFFAOYSA-N	302.334	1.202	50	20	DDGD	
C[C@H]1C[C@H]1c1ccc(CCC(=O)NNC(=O)c2cn[nH]c2)o1	862473738	ZVQPYMUVJBIBOG-JOYOIKCWSA-N	302.334	1.520	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2ccc(C(C)C)nc2C)n[nH]1	869018090	ZFNVHGZBZCRCIO-UHFFFAOYSA-N	315.377	1.549	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCC(=O)N1)c1ccc(Cl)c([N+](=O)[O-])c1	863146894	WQXPNIOTTRKXCJ-SNVBAGLBSA-N	324.724	1.367	50	20	DDGD	
N#Cc1cccc(NC(=O)NNCC(F)(F)C(F)(F)F)n1	861185296	XQSXGUJEORYSAM-UHFFFAOYSA-N	309.198	1.777	50	20	DDGD	
Cn1c(C(=O)NNc2nc3ccccc3[nH]2)ccc1[N+](=O)[O-]	768502398	YDBHLLNIUHRUOZ-UHFFFAOYSA-N	300.278	1.567	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccccc1[S@](=O)C(F)(F)F	935908119	FNWVXAQRCXILAN-NRFANRHFSA-N	324.280	1.657	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NNC(=O)C(C)(C)C)c(OC)c1	861337751	KNWRQDKVEZOEJD-UHFFFAOYSA-N	322.365	1.254	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@]1(c2ccccc2)CCCO1	935126621	QWSLNYYWQRXGJJ-OAHLLOKOSA-N	302.309	1.765	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)c2cccnc2)cc1C	767804001	KNYMFBDNEOXMNW-UHFFFAOYSA-N	315.329	1.239	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cn(C)c(=O)c3ccccc23)n1	760115564	ROQRLRGIYHOYKD-UHFFFAOYSA-N	323.356	1.702	50	20	DDGD	
CNc1c(C(=O)NNc2nc(C)cc(C)n2)cccc1[N+](=O)[O-]	765368713	NNASPTLHMINMDF-UHFFFAOYSA-N	316.321	1.800	50	20	DDGD	
CCCC1(C(=O)NNC(=O)Cn2cnc3ccccc32)CC1	760265282	RENBBQPCADKVNR-UHFFFAOYSA-N	300.362	1.764	50	20	DDGD	
CC(C)c1cccc(O[C@H](C)C(=O)NNC(=O)c2cn[nH]c2)c1	862474343	KYODDOCFWIYGGK-LLVKDONJSA-N	316.361	1.762	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H](C)Cc2cccc(F)c2)n[nH]1	869012093	FXMYALYCZCARAQ-SNVBAGLBSA-N	318.352	1.426	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1Cc2ccccc2C(=O)O1)C(F)(F)F	862306830	PKFXVKCXLOTGLH-XVKPBYJWSA-N	302.252	1.340	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=CC[C@@H]1CCOC1	765570067	QARFSIPRUZXOTF-GBJTYRQASA-N	311.426	1.260	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN[C@@H](C)C(F)(F)F	862309037	IDJZLUMUFZUADU-QMMMGPOBSA-N	300.284	1.916	50	20	DDGD	
Cc1ccc(NC(=O)CCl)cc1S(=O)(=O)NC1CC1	1116437924	VDEDKMPNPXZGAN-UHFFFAOYSA-N	302.783	1.613	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cc3c(s2)CCC3)CCO1	769736218	SRVXTKVHQXXKDA-MWLCHTKSSA-N	323.418	1.748	50	20	DDGD	
COc1cc(C(C)=NNC(=O)N2CCOCC2)c(OC)cc1O	763163911	RVEGFGWSOGWTAE-UHFFFAOYSA-N	323.349	1.175	50	20	DDGD	
COc1cc(OC)cc(N2CC[C@@H](NC(=O)CCl)C2=O)c1	1116439213	NHGYSYQUFRLIJE-GFCCVEGCSA-N	312.753	1.164	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(NC(C)=O)ccc1Cl	878381834	WKNPDVJBIJXDFN-UHFFFAOYSA-N	314.773	1.913	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc(F)n2)c2nccn21	1118561564	NAJZHRVWWHCXMJ-SCZZXKLOSA-N	318.312	1.067	50	20	DDGD	
COCCOc1ccc(NC(=O)NNc2ncccn2)c(C)c1	775523656	LUAHXFSKPCDZLF-UHFFFAOYSA-N	317.349	1.959	50	20	DDGD	
CC(=O)c1cccc(NC(=O)NNC(=O)C2CCOCC2)c1	877927633	CNYLPOCVPWIRKE-UHFFFAOYSA-N	305.334	1.469	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CC[C@@H](C)SC	773291826	GHGFTBYWVYVVTQ-LLVKDONJSA-N	310.419	1.917	50	20	DDGD	
C=Cn1cc(C=NNC(=O)c2cc(OC)cc(OC)c2)cn1	773027195	HXVVZNGDFFQIIE-UHFFFAOYSA-N	300.318	1.765	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1snc2ccccc12	879823813	JPYZQZMYFZFJAJ-RKDXNWHRSA-N	320.374	1.874	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1csc(-c2ccco2)n1	875385764	JKWPLDLPKKFZIL-UHFFFAOYSA-N	310.335	1.816	50	20	DDGD	
CCn1cc(-c2n[nH]cc2C(=O)NNc2ccc(C#N)cc2)cn1	779011378	UQFQWBUSAAOMHQ-UHFFFAOYSA-N	321.344	1.922	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2c(C)cccc2F)c(O)n1	770824229	UUTCWIVZEQBJPB-UHFFFAOYSA-N	318.308	1.625	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)C(=O)NNC(=S)Nc1ccccn1	874956206	PKURGSVNHFUTQP-SNVBAGLBSA-N	318.406	1.012	50	20	DDGD	
CC(C)CCn1nccc1NC(=O)NNC(=O)C1CCOCC1	879289147	SMQVBKGYXAPAIJ-UHFFFAOYSA-N	323.397	1.509	50	20	DDGD	
N#CC1(C(=O)NNC(=O)c2nc3ccccc3s2)CCC1	874913112	DBKZSWPZLZYZOA-UHFFFAOYSA-N	300.343	1.751	50	20	DDGD	
O=C(NNc1ccc(F)cn1)[C@H]1CCCN(C(=O)C2CC2)C1	874651392	OIWOGYKMJOMNMH-NSHDSACASA-N	306.341	1.312	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCC(=O)C2)c1	874951365	CTKJPTFOFNMZKP-LLVKDONJSA-N	301.371	1.355	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)OC[C@@H](C)CBr	770400894	VLKYAEAEGQVNHF-GXSJLCMTSA-N	306.200	1.962	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(C[C@H](C)NS(=O)(=O)CCCCl)C1	881981977	PEDULMKPVULFJN-XQQFMLRXSA-N	310.891	1.901	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc(C)c3cn[nH]c23)n1	775616582	XUGBKLXEPJPCEO-UHFFFAOYSA-N	313.321	1.819	50	20	DDGD	
CC(C)C[C@@H]1OCCC[C@H]1NCC(=O)NNC(=O)C(C)(C)C	775871687	IAJLQCGZJYQKGW-OLZOCXBDSA-N	313.442	1.363	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@H]2CCc3c(Cl)cccc32)cn1	775750003	XIJTXUQQHMTQNG-LBPRGKRZSA-N	318.764	1.565	50	20	DDGD	
CC[C@H](Cc1ccccc1)C(=O)NNC(=O)C1CCOCC1	883063103	DAHKTJZLGPXFSB-CQSZACIVSA-N	304.390	1.829	50	20	DDGD	
O=C(Cc1n[nH]c2c1CCCC2)NNC(=O)c1ccccc1F	777174710	DEAHKNDRYWGHIJ-UHFFFAOYSA-N	316.336	1.431	50	20	DDGD	
Cc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)c1cccc(C#N)c1	772207233	PLNCQIXLNKNRGJ-UHFFFAOYSA-N	324.296	1.850	50	20	DDGD	
CC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)[C@H]1CCCOC1	779763280	PTHGQRUIKJGKMJ-JTQLQIEISA-N	306.322	1.709	50	20	DDGD	
CCn1cccc(CNC(=O)NNc2ccc(Cl)nc2)c1=O	789298580	UTWAPAYNEBUZEA-UHFFFAOYSA-N	321.768	1.743	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1ccc2nsnc2c1	781836024	IQEXQXPDZLYXGY-UHFFFAOYSA-N	306.738	1.892	50	20	DDGD	
C[C@H](Cc1ccc(F)cc1)C(=O)NNC(=O)C1CCOCC1	883061847	JMVIRJNOXCEGKC-LLVKDONJSA-N	308.353	1.578	50	20	DDGD	
CCOC(=O)NNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1	784980074	JFDSOMZXRBOXSN-SNVBAGLBSA-N	315.370	1.457	50	20	DDGD	
NC(=O)CSc1ccccc1NC(=O)NN=c1cc[nH]cc1	781028260	ZDIFCZSBCDMYNX-UHFFFAOYSA-N	317.374	1.230	50	20	DDGD	
NC(=O)[C@H]1CCC[C@H](C(=O)NNc2cc(F)c(F)cc2F)C1	787134742	ZRHGFVVONAJZQE-YUMQZZPRSA-N	315.295	1.839	50	20	DDGD	
O=C(CNS(=O)(=O)CBr)OC1CCCCC1	782465578	DAHGVMISPBNVBT-UHFFFAOYSA-N	314.201	1.134	50	20	DDGD	
CC1(C)CC[C@@H](C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1	781557823	VRXMREWNRUXCIU-RISCZKNCSA-N	318.373	1.800	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCCO2)c1cc(C)nn1C	788974458	DBGQXIZABMDMEX-UHFFFAOYSA-N	314.345	1.654	50	20	DDGD	
COc1cc(NNC(=O)N[C@H](C)c2ncn(C)n2)ccc1Cl	789218835	GWKKNLOLZDAGMK-MRVPVSSYSA-N	324.772	1.864	50	20	DDGD	
COc1cc(OC)cc(N(C)CC(=O)NNC(=O)C(C)(C)C)c1	786442678	RSDQSFBOWIABQD-UHFFFAOYSA-N	323.393	1.334	50	20	DDGD	
O=C(CCCCc1ccccc1)NNC(=O)C(=O)N1CCCC1	896015039	ODPDZIYWAYCPNF-UHFFFAOYSA-N	317.389	1.169	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H]1CCN(CC2CC2)C1	787332621	SEVDSMLSHOGOAK-TYWAAFNRSA-N	311.385	1.900	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1csnc1C	781238085	YHMHGJUZTKZECY-UHFFFAOYSA-N	321.358	1.300	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccn(CC(F)F)n2)c1	789930807	DPMCOHUJQXNQLT-UHFFFAOYSA-N	319.271	1.095	50	20	DDGD	
O=C(Cc1cnc[nH]1)NNC(=O)C12CC3CC(CC(C3)C1)C2	899941732	GWDHMWXFIJAGOX-UHFFFAOYSA-N	302.378	1.316	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)N2CCN(C)CC2)C[C@H]1C	790179046	QPDCWZWVBKRPDW-TZMCWYRMSA-N	324.425	1.299	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	795819479	OUYGQPRECODQSY-MELADBBJSA-N	309.410	1.666	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=C2C(=O)OC[C@H]2C)o1	794899070	GYCFXKCHKCWESN-SNVBAGLBSA-N	307.350	1.400	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)Cn1cnc2ccccc21	794612450	BVQBXUYXHGYAQI-UHFFFAOYSA-N	311.345	1.388	50	20	DDGD	
CCN(CCS(C)(=O)=O)C(=O)NCCSSC	790875947	MJCRFFWILNJEOJ-UHFFFAOYSA-N	300.471	1.074	50	20	DDGD	
COc1ccc(CC(=O)NNc2ncccc2C)cc1[N+](=O)[O-]	791221671	XFHCZWRWAQKHIN-UHFFFAOYSA-N	316.317	1.993	50	20	DDGD	
O=C(Cc1ccc2c[nH]nc2c1)NNC(=O)c1ccccc1F	792789599	LLNDHWMWOOWLDP-UHFFFAOYSA-N	312.304	1.706	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1ccc2n[nH]cc2c1	794911383	DLJIMZXJOCOCEQ-UHFFFAOYSA-N	315.377	1.708	50	20	DDGD	
C=CC[C@H](CO)CNS(=O)(=O)c1ccc(CCCl)cc1	774789124	RRHLSIJYKPDETL-ZDUSSCGKSA-N	317.838	1.931	50	20	DDGD	
Cc1ocnc1C(=O)NNC(=O)c1cncn1-c1ccccc1	1318166384	HRAHQMLDCRKGSS-UHFFFAOYSA-N	311.301	1.244	50	20	DDGD	
COc1ccc(C=NNC(=O)CCO)cc1Br	1319365183	OXNSNJXDRHEYGN-UHFFFAOYSA-N	301.140	1.290	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H]1C[C@]12CCc1ccccc12	1322156883	JGMALOFCDIOPAF-BBRMVZONSA-N	303.431	1.794	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H]1CCCc2c(O)cccc21	1324477918	LYFKTIPNJPCSBE-GFCCVEGCSA-N	307.419	1.716	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@]1(C)CCCc2ccccc21	1327985697	SSVDGCLAYUBESV-QGZVFWFLSA-N	303.406	1.631	50	20	DDGD	
Cc1ccc(C(=O)NCC(=O)NNc2cc(Cl)ccn2)s1	1320713335	HMLLNWQDHIOFKZ-UHFFFAOYSA-N	324.793	1.978	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1ncc(Cl)s1	1321179834	KYCVJSVRIRGYHC-UHFFFAOYSA-N	322.737	1.998	50	20	DDGD	
C[C@H]1CCc2ccccc2[C@H]1NC(=O)NNC(=O)c1cn[nH]c1	1332649047	AKONMGWTLGQKRS-HZMBPMFUSA-N	313.361	1.677	50	20	DDGD	
Cc1cc(C(=O)NN(C)[C@@H](C)CO)c(C)n1Cc1ccco1	1330260064	ADBBRVOMUZDABY-LBPRGKRZSA-N	305.378	1.704	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1csc(-c2ccco2)n1	1349787919	PRBYDZUCYUHCFS-UHFFFAOYSA-N	321.358	1.591	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCc1c[nH]c2ccc(C)cc12	1349366295	AQSIVZLONANNBU-UHFFFAOYSA-N	318.377	1.386	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)COc1ccc(F)cc1)n1cccc1	1344525129	ZIDXRYYLOUSHCU-NSHDSACASA-N	305.309	1.415	50	20	DDGD	
CC1=C(C(=O)NNc2nncc(N)c2Cl)CCN1C(C)C	1352740903	RFHHWXIHSVZATC-UHFFFAOYSA-N	310.789	1.543	50	20	DDGD	
O=C(NCc1cc(O)nc(S)n1)C1CCC(Cl)CC1	1521676652	HDKLAVBPFUXHGE-UHFFFAOYSA-N	301.799	1.885	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNc1cccc(C(=O)O)c1	1605422156	HNCKZLUKTRRSQY-UHFFFAOYSA-N	307.350	1.477	50	20	DDGD	
C[C@@H](Cc1ccc(NC(=O)NNc2cnccn2)cc1)C(=O)O	1604228184	XNGJDWUDPRAAJZ-JTQLQIEISA-N	315.333	1.888	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H]2C[C@H]2C(=O)O)cc1C(F)(F)F	1601108851	UXTOIFJEZVAWQB-DTWKUNHWSA-N	313.235	1.741	50	20	DDGD	
C[C@@]1(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)C[C@H]2CC[C@H]1O2	1603748437	PTQZZXZLICBIRZ-LALPHHSUSA-N	314.349	1.267	50	20	DDGD	
O=C(NCCn1ccnc1)NNc1ccc(C(=O)O)c(F)c1	1608455271	KWNLSORNNVGTGG-UHFFFAOYSA-N	307.285	1.047	50	20	DDGD	
CC(C)N1C(=O)CC[C@H]1C(=O)NNc1ccccc1C(=O)O	1603886971	FLGPTPXTBYRVRK-LBPRGKRZSA-N	305.334	1.227	50	20	DDGD	
O=C(O)C1(C(=O)NNc2cccc(F)c2Br)CC1	1608566451	PGMARHDECPZSLW-UHFFFAOYSA-N	317.114	1.896	50	20	DDGD	
O=C(NCC[C@H]1C[C@H]2CC[C@H]1O2)NNc1cccc(C(=O)O)c1	1601493455	XTYFSBVXZVFGII-ZLKJLUDKSA-N	319.361	1.969	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1604579894	LXWPOFNUDRPIBD-UHFFFAOYSA-N	324.348	1.284	50	20	DDGD	
CNc1ccc(C(=O)NNc2ccc(F)c(C(=O)O)c2)nc1	1606309926	DERHDZQJQRIAAU-UHFFFAOYSA-N	304.281	1.718	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)COc1ccsc1	1610287070	BRNAOUKDVBNBDA-UHFFFAOYSA-N	322.342	1.977	50	20	DDGD	
NCCCCCCNC(=O)NNc1ccc(C(=O)O)cc1F	1610645204	YTRCPGXCDCHSTL-UHFFFAOYSA-N	312.345	1.669	50	20	DDGD	
CCc1cccc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)c1	1549317696	YOUUFOPNTBYHEL-HOTGVXAUSA-N	301.390	1.562	50	20	DDGD	
O=C(NN=Cc1c[nH]c2ccccc12)[C@H]1CN2CCC[C@H]2CO1	1549314795	KJXIMSPATKTGIM-XJKSGUPXSA-N	312.373	1.481	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)cnc1Cl	1549317433	LEZBOVLDFVASIL-STQMWFEESA-N	322.796	1.357	50	20	DDGD	
CC(CCc1ccccc1)=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549317226	WAOXWODJSSVODW-IRXDYDNUSA-N	315.417	1.975	50	20	DDGD	
CCn1cc([C@H]2OCC[C@@H]2C=NNC(=O)c2ccc[nH]2)cn1	1552453479	PLTJNEUXHPBUFI-RISCZKNCSA-N	301.350	1.725	50	20	DDGD	
CC(C)CO[C@H]1CS(=O)(=O)C[C@H]1I	158191558	JGEDEIDODOWKHZ-SFYZADRCSA-N	318.176	1.260	50	20	DDGD	
CCn1c(NNC(=O)CC(C)(C)CN)nc2ccccc2c1=O	1578342626	YEUSQJWWDDODKE-UHFFFAOYSA-N	317.393	1.235	50	20	DDGD	
CC(=NNC(=O)NCC(F)(F)F)c1cncc(C(=O)O)c1	1589012554	SOZFTKPJWORQRD-UHFFFAOYSA-N	304.228	1.365	50	20	DDGD	
CC(C)(C(=O)O)n1ccc(NC(=O)NNc2cccc(F)n2)n1	1588626736	RYGVFNKBXHUEAR-UHFFFAOYSA-N	322.300	1.386	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)[C@H]2CCC=CO2)C1	1844245528	WHOMNULSVVFQEM-MNOVXSKESA-N	316.760	1.417	50	20	DDGD	
CC[C@H](C)CC(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1	1841347983	HBMRDVNCIGYCCT-NWDGAFQWSA-N	316.829	1.226	50	20	DDGD	
C[C@H]1CCCN1CCNC(=O)NNc1cccc(C(=O)O)c1	1594387507	LQIOBCRIZVXBEB-NSHDSACASA-N	306.366	1.495	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)Nc1ccc(F)cc1	1593165072	SWOMJJYZXVYSMY-UHFFFAOYSA-N	314.284	1.549	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNc1ccc(C(=O)O)cc1OC	1598836271	YXABOWSOLUANAR-MRVPVSSYSA-N	310.306	1.036	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNC(=S)N[C@@H](C)C2CC2)c1	1594288411	OLNFCBXRYFWTMF-VIFPVBQESA-N	321.402	1.601	50	20	DDGD	
O=C(NCC(Cl)Cl)Nc1ccc(-c2nn[nH]n2)cc1	1593008279	DUSVBHVIZNEMDP-UHFFFAOYSA-N	301.137	1.792	50	20	DDGD	
C[C@H](Oc1cccc(C=NNC(=O)c2ccon2)c1)C(=O)O	1776105848	HJCCNQGNCQJSMW-VIFPVBQESA-N	303.274	1.290	50	20	DDGD	
C[C@@H](Oc1ccc(C=NNC(=O)c2ccon2)cc1)C(=O)O	1776105783	FCMICKSSDCMBBZ-SECBINFHSA-N	303.274	1.290	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cc(C)n[nH]2)c(C)c1	5818230	KTBOQCINVFPGOW-UHFFFAOYSA-N	302.334	1.175	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1ccc([N+](=O)[O-])cc1	15528929	ZIAGNFRTUSOJAH-UHFFFAOYSA-N	317.276	1.738	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1ccc2c(c1)OCO2	15528979	UNKJGWIRZHJQRF-UHFFFAOYSA-N	316.288	1.558	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2csc3c2CC[C@H](C)C3)[nH]n1	153127194	HQOYQQNKJKISEI-QMMMGPOBSA-N	318.402	1.979	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCSc2ccccc2)[nH]n1	153252641	SIJCIEPLCKBFQN-UHFFFAOYSA-N	304.375	1.662	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cc2c([nH]c1=O)CCCCC2	156273130	QSRFJQARKUREEE-UHFFFAOYSA-N	305.378	1.451	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)c1cccc(N(C)C)c1	154909575	PWFIYSLVEYUPCQ-UHFFFAOYSA-N	302.378	1.500	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(c2cc(OC)ccn2)CC1	159415807	DTOFXEBZUMVZMI-SEYXRHQNSA-N	316.361	1.183	50	20	DDGD	
CCCC(=O)NC[C@H]1CCCN(C(=O)/C(C#N)=C/OCC)C1	159323653	OYUPGVPCEAZJLE-MNWMYKRDSA-N	307.394	1.585	50	20	DDGD	
COc1ccc(NNC(=O)c2[nH]c(C)c(C(C)=O)c2C)nc1	159358866	MUDGRACZIABLNM-UHFFFAOYSA-N	302.334	1.995	50	20	DDGD	
O=S(=O)(CCCCl)N1CCCN(C[C@H]2CCCO2)CC1	37842855	DYMDPTLEYITHPQ-CYBMUJFWSA-N	324.874	1.132	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)Cc1c(F)cccc1Cl	106417455	XZAWYBZEZBLWNB-UHFFFAOYSA-N	310.716	1.135	50	20	DDGD	
COCCOc1ccccc1C(=O)NNc1nc(C)cc(C)n1	53273740	KNSMZINWUSCBLK-UHFFFAOYSA-N	316.361	1.876	50	20	DDGD	
Cc1nnsc1C(=O)NNC(=O)c1c[nH]c2ccccc12	171760126	BIPVVPOMIFHFNR-UHFFFAOYSA-N	301.331	1.403	50	20	DDGD	
CC(C)NC(=O)NNS(=O)(=O)c1cc(F)ccc1Cl	103059209	ULXVNJQVXNEBAE-UHFFFAOYSA-N	309.750	1.380	50	20	DDGD	
O=C(NCc1ccoc1)NNC(=O)c1cccc2ncccc12	171725051	GGCLJVZODAXZRH-UHFFFAOYSA-N	310.313	1.972	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(C)CCOc1ccccc1	109825184	HFSPUECXNPKONQ-AWEZNQCLSA-N	321.421	1.579	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@@H]1C[C@]12CCc1ccccc12	175781585	JXVMDOCMJLUGCP-LPHOPBHVSA-N	321.380	1.676	50	20	DDGD	
C[C@H]1CCC[C@H]1NC(=O)NNC(=O)COc1ccccc1C#N	105312204	PXXUEYKXQPWJNZ-WCQYABFASA-N	316.361	1.456	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2cncc(C)c2)c1	173059240	NGQVQXXIQIWVSV-UHFFFAOYSA-N	313.357	1.847	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)COc2ccc(C)cc2)cn1	114314144	OIHZXCPUMCCTIE-UHFFFAOYSA-N	302.334	1.051	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2ccco2)cc1[N+](=O)[O-]	65177515	AFCLDAZRKVYKCL-UHFFFAOYSA-N	318.289	1.640	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2ccccc2F)c(F)c1	66784241	RBUVSVCAHOGNGS-UHFFFAOYSA-N	320.295	1.977	50	20	DDGD	
CC[C@@H](OC)C(=O)NNC(=O)c1ccc(Br)s1	68177233	UEOKVTVTRUSYJN-ZCFIWIBFSA-N	321.196	1.697	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CSc2nncs2)cc1	28802814	NIRKWFTUZQXVSD-UHFFFAOYSA-N	308.388	1.400	50	20	DDGD	
O=C(Cc1cccs1)NNC(=O)c1cccc([N+](=O)[O-])c1	21786026	MNTPPBRTGREXCD-UHFFFAOYSA-N	305.315	1.660	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNc1cccc([N+](=O)[O-])c1	178830118	ZRIQHZRSDCKBFY-UHFFFAOYSA-N	312.285	1.989	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)c1ccccn1)N1CCCCC1	67284649	GSKVPBXMSQKICD-CQSZACIVSA-N	304.394	1.353	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NC2CCCC2)oc2c1C(=O)CCC2	68283228	AUPKMHGEHSJUNZ-UHFFFAOYSA-N	319.361	1.994	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NCC(F)(F)F	68017855	XAPGEEOXLHVSCT-UHFFFAOYSA-N	305.256	1.096	50	20	DDGD	
CO[C@@H](C)CCC(=O)NNC(=O)c1c(C)nc2ccccn12	182988118	SBMMSZDDCGQIAJ-JTQLQIEISA-N	304.350	1.219	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cc2ccc(F)cc2)cc1O	188222480	ZTJFNAYCGJNMNC-UHFFFAOYSA-N	313.288	1.407	50	20	DDGD	
CC[C@@H]1CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1	125712637	REPIHJGRMSWEFP-LLVKDONJSA-N	320.349	1.088	50	20	DDGD	
O=C(Cc1n[nH]c2c1CCCC2)NNc1cnc2ccccc2n1	189103002	FDDLNHMZSOUNML-UHFFFAOYSA-N	322.372	1.918	50	20	DDGD	
Cc1cnccc1CNC(=O)NNC(=O)c1ccc(C#N)cc1	186496592	RBGFECDDSXBICR-UHFFFAOYSA-N	309.329	1.406	50	20	DDGD	
Cc1cc(NNC(=O)Cc2ccc3c(c2)OCO3)nc(C)n1	128644454	AQTKUJUEZHBHJT-UHFFFAOYSA-N	300.318	1.508	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=O)c2ccc[nH]2)c1C1CC1	120956310	QYJAROKHRJWPKW-UHFFFAOYSA-N	301.350	1.573	50	20	DDGD	
CC[C@@H](C)[C@H](C)C(=O)NNC(=O)COc1ccccc1OC	183506951	LPURMZIQTRHDLC-NEPJUHHUSA-N	308.378	1.904	50	20	DDGD	
COC[C@@H](C)n1ccc(NC(=O)NNc2nc(C)cc(C)n2)n1	189811153	GXYABKDRNTVTRP-LLVKDONJSA-N	319.369	1.646	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C(=O)Nc2ccsc2)cc1	121284492	CTFSAWSHNUZGCL-UHFFFAOYSA-N	317.370	1.710	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NNc2ccncc2)C1	180463055	FQBKYKWUOWVHJZ-QWHCGFSZSA-N	304.394	1.809	50	20	DDGD	
CCN(CC)[C@@H](CNC(=O)NNc1ncccn1)CC(C)C	45538403	LOTFCJYGVONFEE-CYBMUJFWSA-N	308.430	1.859	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cc(F)c(F)cc2F)[nH]n1	185035229	XCKMEBBURRRJLV-UHFFFAOYSA-N	313.239	1.602	50	20	DDGD	
C[C@H](CBr)CN1CCc2nn(C)c(=O)cc2C1	186354962	XFFYGMYJIOUFCP-SECBINFHSA-N	300.200	1.169	50	20	DDGD	
O=C(CCC(=O)N1CCOCC1)NNc1cccc(Cl)c1	42065765	QSMDYIHWALULCN-UHFFFAOYSA-N	311.769	1.422	50	20	DDGD	
COC(=O)C1(C(=O)NNc2ccccc2Br)CC1	134999816	JJRXKSFMICEDGU-UHFFFAOYSA-N	313.151	1.845	50	20	DDGD	
Cn1ccnc(NNC(=O)[C@H]2CC[C@H]3CCCC[C@@H]3C2)c1=O	132523945	OLNHIWVNASIOFD-UPJWGTAASA-N	304.394	1.830	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1ccc2c(c1)CCCC2	194902696	ZMLWYCZINZETSF-UHFFFAOYSA-N	303.362	1.252	50	20	DDGD	
O=C(NNC(=O)NC1CC1)Nc1ccc(OC(F)F)cc1	80582454	PYLRWMMMOQVPBZ-UHFFFAOYSA-N	300.265	1.786	50	20	DDGD	
O=C(C[C@@H]1CCCOC1)NNc1nc(-c2ccccc2)no1	193214658	ZDHPUHNWBOSAHK-NSHDSACASA-N	302.334	1.996	50	20	DDGD	
CC1(CNC(=O)NNC(=O)c2ccc[nH]2)Cc2ccccc2C1	91936032	DALODNJCIBGEBS-UHFFFAOYSA-N	312.373	1.764	50	20	DDGD	
Cc1cnc(NC(=O)NNC(=O)Cc2ccc(F)cc2)s1	147258476	VCCPKYNQWVGMPT-UHFFFAOYSA-N	308.338	1.986	50	20	DDGD	
O=C(/C=C\SCc1ccco1)NNC(=O)Cc1cccnc1	255575156	KLODJBHEQZVQAZ-YVMONPNESA-N	317.370	1.812	50	20	DDGD	
CSCC[C@H](NC(N)=O)C(=O)NNc1c(F)cccc1F	265459627	NACFJIFWOPCJJL-VIFPVBQESA-N	318.349	1.198	50	20	DDGD	
CC(=O)NNC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1	266550683	IFGKDWAJSIILGD-ZDUSSCGKSA-N	321.377	1.462	50	20	DDGD	
C[C@H](COc1cccc(F)c1)NC(=O)NNC(=O)C1CCC1	264786468	ZJUZOBDPDFMMLQ-SNVBAGLBSA-N	309.341	1.724	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)C1CCC1)Oc1cccc(F)c1	266618354	VAEPXUZCQBDHPM-SNVBAGLBSA-N	309.341	1.724	50	20	DDGD	
CO[C@H](C)c1nc(CNC(=O)NNc2ccc(C)nn2)cs1	267728649	LPHLWPJVFFUBHB-SECBINFHSA-N	322.394	1.775	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)N[C@H]1CCCc2cn[nH]c21	276835537	HRQPBXPDWNHYBV-JTQLQIEISA-N	312.337	1.156	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1ccc(F)cc1C#N	274219494	ONRPLZUOHOUZJD-UHFFFAOYSA-N	322.296	1.192	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)C1(O)Cc2ccccc2C1	369952671	UHYVRIKBHPRBPE-UHFFFAOYSA-N	324.380	1.297	50	20	DDGD	
CC[C@H](OC)C(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	278551016	PIMNERUNODBGLR-CABZTGNLSA-N	314.769	1.680	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)c2ccc(C)s2)n(C)n1	283817554	AHIAHIGODWAWHQ-UHFFFAOYSA-N	307.379	1.243	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)C(C)(C)N1CCOCC1	282647002	AKUCYOWLDIGSMY-UHFFFAOYSA-N	320.393	1.259	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)cn1	281849050	BCRMMKPOSQUJSL-HOTUBEGUSA-N	324.406	1.221	50	20	DDGD	
CC(C)Cn1cc(C(=O)NNC(=O)NCC(F)(F)F)cn1	281198256	KTYNOSHIHQKBTH-UHFFFAOYSA-N	307.276	1.045	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NC[C@H]1CCSC1	280334282	ZLDZWZBQMWFNDI-SNVBAGLBSA-N	311.382	1.452	50	20	DDGD	
O=C(CCOCC(F)(F)C(F)F)NNc1ncccc1F	285950125	KYYORUQIOHSYHX-UHFFFAOYSA-N	313.226	1.971	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CCn2cccn2)cc1	292725602	PFHDWTWCPDCNGP-UHFFFAOYSA-N	316.361	1.062	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)C1C2CC3CC(C2)CC1C3	802036340	VAZXHPNSRRQVSN-UHFFFAOYSA-N	314.389	1.729	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ncoc1C1CC1	294663067	KYAITFDKNBQQOC-UHFFFAOYSA-N	315.329	1.564	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1c(Cl)nc2ccccn12	295623899	RVNBSAXYBGIRSF-VIFPVBQESA-N	322.752	1.318	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)C1=C(C)OCCS1	807194679	FQUQNBVAHWVVGI-UHFFFAOYSA-N	308.359	1.911	50	20	DDGD	
Cc1cccc(OCCCC(=O)NNC(=O)N2CCOCC2)c1	299376295	MDJZMPPAUJLUKM-UHFFFAOYSA-N	321.377	1.227	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1cc(N2CCOCC2)ccn1	808247946	XKRVPHSGHSCQKN-UHFFFAOYSA-N	318.204	1.794	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCC(C)(C)COC)cc1	291701137	FKTFBBMOJLUDQG-UHFFFAOYSA-N	307.394	1.866	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNC(=O)c1cccc2ccccc12	294906684	JPZPGVXODZCQPT-CQSZACIVSA-N	318.398	1.715	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)[C@H]1CCCCO1)n1cnc2ccccc21	295640911	UAQTUOIBHAVOKB-SMDDNHRTSA-N	316.361	1.314	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(Cl)ncc1Cl	295637988	TUWMULIBYPZKJT-VIFPVBQESA-N	318.160	1.719	50	20	DDGD	
C[C@H](NCC(=O)NNC(=O)c1ccc(F)cc1)c1ccsc1	801570978	SSVBDTGLKHWCKE-JTQLQIEISA-N	321.377	1.999	50	20	DDGD	
CC(C)[C@H]1OCCC[C@@H]1CNC(=O)NNc1ncncc1F	292633820	JUVVJBYMWFQEBZ-ZYHUDNBSSA-N	311.361	1.693	50	20	DDGD	
CC(=O)N1CCc2cc(C(=O)NNc3ncccc3F)ccc21	804215646	ZSQCITWPCFCSDO-UHFFFAOYSA-N	314.320	1.887	50	20	DDGD	
Cc1ccc(F)c(OCC(=O)NNC(=O)N=c2cc[nH]cc2)c1	802030704	OPRRWRZJDLDNET-UHFFFAOYSA-N	318.308	1.183	50	20	DDGD	
Cc1cc(C(=O)NNc2nnc[nH]2)c2cnn(C(C)C)c2n1	293791652	CPALUOVLVKZXKS-UHFFFAOYSA-N	300.326	1.196	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)Nc2ccc(OC)cc2)n[nH]1	802061025	QCKZXSNDVKMONJ-UHFFFAOYSA-N	303.322	1.447	50	20	DDGD	
N#CCOc1cccc(CC(=O)NNC(=O)Nc2ccccc2)c1	801991191	KPQMVECNCTZNCB-UHFFFAOYSA-N	324.340	1.984	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)cn1	295578424	OEFHPHIILRSSAY-LBPRGKRZSA-N	307.350	1.199	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cc2c(F)cccc2[nH]1	802025177	VFJWAJHUOMMLJC-UHFFFAOYSA-N	313.292	1.590	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@H]1CCc2ccccc2OC1	801067358	UPGMUCXPISSYAG-ZDUSSCGKSA-N	303.362	1.511	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@H]1CCN(C2CC2)C1	298672294	JQMWYYPVBPJJLR-CYBMUJFWSA-N	316.405	1.423	50	20	DDGD	
COCC(=O)NN=C1COc2c(Br)cc(C)cc21	814872342	LGWZJYHMJNQCOC-UHFFFAOYSA-N	313.151	1.617	50	20	DDGD	
COc1ccc2c(c1)OC[C@H]2CC(=O)NNc1ncncc1F	817079533	GRIXBLIORDLMNV-SECBINFHSA-N	318.308	1.634	50	20	DDGD	
CS(=O)(=O)CC1CCC(=NNC(=O)c2ccccc2O)CC1	814695026	JQPKSBAKVCIXLF-UHFFFAOYSA-N	324.402	1.713	50	20	DDGD	
CCOc1ccc(NNC(=O)NC2CCN(OC)CC2)cc1	817805984	TWNPJXPZYVNKJM-UHFFFAOYSA-N	308.382	1.737	50	20	DDGD	
O=C(CNc1ccccc1F)NN=Cc1c[nH]c(C(=O)O)c1	814713868	ZKLDAYCUJWCNIK-UHFFFAOYSA-N	304.281	1.414	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)[C@H]1CCc2nncn2C1	815856784	AOIFIPMLVBOBGO-ZETCQYMHSA-N	311.267	1.401	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)c1ccncc1)c1ccc(Cl)cc1	814682656	OLSFMRKJIIECCT-OAHLLOKOSA-N	319.748	1.404	50	20	DDGD	
C=C[C@@H](C)NC(=O)/C(C#N)=C/c1cc(-c2nn[nH]n2)n(C)c1C	819729242	FSUSJIYRVLQADJ-TZZQWBKVSA-N	311.349	1.111	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ccccc1S(C)(=O)=O)[C@H](C)N	817935595	JIUKYPMOCRRZSO-GWCFXTLKSA-N	313.423	1.153	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc2c(c1)C(C)(C)CO2	810584723	UPFODSXSHYXPJQ-UHFFFAOYSA-N	321.377	1.337	50	20	DDGD	
Cc1nc(CC(=O)NN=C2CCCc3nc(N)sc32)cs1	814740273	QDHBBOGQCKJJKY-UHFFFAOYSA-N	321.431	1.890	50	20	DDGD	
O=C(NNC(=O)c1csc2c1CCCC2)c1ccnnc1	817692473	PRCOHKPTRBFNPX-UHFFFAOYSA-N	302.359	1.492	50	20	DDGD	
CC[C@H](Cc1ccccc1C)C(=O)NNC(=O)c1ccnnc1	819577958	VZJFVAQHGYNMNG-CYBMUJFWSA-N	312.373	1.815	50	20	DDGD	
CCN(CC)[C@H](C(=O)NNc1cnnn1C)c1ccccc1	816771369	JWJRMPJHYGKFAN-AWEZNQCLSA-N	302.382	1.341	50	20	DDGD	
CN(NC(=O)[C@H]1CCc2nnc(-c3ccccc3)n2C1)C1CC1	819653145	IIWGOYGGZHQEKK-ZDUSSCGKSA-N	311.389	1.633	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2nc3cnccc3s2)n1	816837304	QPJNTYWANDGKNP-UHFFFAOYSA-N	300.347	1.855	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)CC(C)(C)C#N)cc1	814669069	KPSQDICYKAHKHP-UHFFFAOYSA-N	302.378	1.238	50	20	DDGD	
CO[C@@H]1CCC[C@@H](C(=O)NNc2ccc(-n3ccnc3)nn2)C1	816659826	CKWBKPRWNFAEBL-VXGBXAGGSA-N	316.365	1.311	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(-c2cccc(Cl)c2)on1	823970354	FQYBKXCDRNJYRC-VIFPVBQESA-N	309.753	1.952	50	20	DDGD	
COC1CCC(=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1	826144569	MMFRXAGUPNIYLP-UHFFFAOYSA-N	314.349	1.542	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(F)ccc1OCCOC	494467971	GZDZFBCSPXDTKP-UHFFFAOYSA-N	315.301	1.634	50	20	DDGD	
Cc1ccccc1CN(C)C(=O)NNC(=O)Cc1cccnc1	728956990	FVMAGOQKENXDTC-UHFFFAOYSA-N	312.373	1.805	50	20	DDGD	
CCOC(=O)NNC(=O)c1cccc(Br)c1O	491244933	IPCHBWZKPORAJD-UHFFFAOYSA-N	303.112	1.546	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC[C@@]12CCOC2=O	490968404	BTZPECISNKSJAH-QFSNBGPKSA-N	312.325	1.607	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(NC(=O)c2ccco2)cc1	490540816	ISFCHUXDOAZTMW-UHFFFAOYSA-N	318.289	1.924	50	20	DDGD	
CCc1ccc(C(C)=NNC(=O)[C@H](C)NS(C)(=O)=O)s1	728434982	SCGAUKSPQVJGID-VIFPVBQESA-N	317.436	1.088	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)/C(C#N)=C\c1cnn(C)c1	491051667	TVNXWEKWZKXMHH-HWRLVWNTSA-N	316.361	1.127	50	20	DDGD	
CCn1ccc(NC(=O)NNC(=O)COCc2ccccc2)n1	824943056	GUGMVEDCJYCPLF-UHFFFAOYSA-N	317.349	1.273	50	20	DDGD	
C[C@](O)(CNCc1ccc(B(O)O)cc1)c1ccccc1Cl	585036911	SIEQHWUHBXUWQX-INIZCTEOSA-N	319.597	1.017	50	20	DDGD	
CN1[C@H]2CC[C@H]1CN(C(=O)[C@]1(C)C[C@@H]1Br)CC2	906867386	NESHUXKGLUMOJY-MRBYEJRBSA-N	301.228	1.855	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC(N2CCOC[C@H]2C)CC1	820124646	DHBGMROHHYRRDC-MNWMYKRDSA-N	307.394	1.142	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc(-c2ccc(F)cc2)no1	823805123	YFQIDLRNGKVHLP-UHFFFAOYSA-N	318.308	1.835	50	20	DDGD	
O=C(C[C@@H]1CSc2ccccc2O1)NNC(=O)C1CCC1	825797086	PYLDVXJFGKXMOF-LLVKDONJSA-N	306.387	1.877	50	20	DDGD	
C[C@H](Oc1ccccc1F)[C@@H](C)NCc1ccc(B(O)O)o1	585029418	RFVMNDBPVCVTHP-MNOVXSKESA-N	307.130	1.044	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccccc1[S@](=O)C(F)(F)F	823384791	USPILTZLDIAXCU-ZEDNOMKYSA-N	324.324	1.271	50	20	DDGD	
COc1ccccc1C(=O)NN=C1C(=O)Nc2cc(O)ccc21	731488697	PNBKNWTUFXCADF-UHFFFAOYSA-N	311.297	1.487	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)ncn1	734254727	VNDVDGLLJATGGZ-LBPRGKRZSA-N	311.345	1.281	50	20	DDGD	
CN(Cc1nnc2ccccn12)C(=O)[C@]1(C)C[C@@H]1Br	906480445	ZMSMOZWMZVQQOQ-TVQRCGJNSA-N	323.194	1.861	50	20	DDGD	
CC(C)C[C@H]1CCCCN1C(=O)c1ccc(B(O)O)c(F)c1	584958200	MOFGZFXNPNAHSV-CYBMUJFWSA-N	307.174	1.546	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)COc1ccc(C)c(C)c1)C(C)C	491667706	RZXINJAGEHKWPL-OAHLLOKOSA-N	317.389	1.670	50	20	DDGD	
O=C1NCC[C@H]1C(=O)NNc1ccccc1OC(F)(F)F	832518077	WBPDZUOXESHNRY-SSDOTTSWSA-N	303.240	1.164	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@]1(Cl)C[C@H]2CC[C@H]1O2	907697058	FDSHKWNEDOZRKH-KKFJDGPESA-N	307.741	1.101	50	20	DDGD	
Cc1ccc(Cl)c2c1N(CC(=O)NNC(=O)C1CC1)CCC2	839078195	ORTGPATZCUOUSO-UHFFFAOYSA-N	321.808	1.958	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)Oc1ccc(F)cc1)c1cnn(C)n1	834927716	FXGXABNMZGJFJC-SNVBAGLBSA-N	305.313	1.262	50	20	DDGD	
OB(O)c1cccc(CN[C@H]2CC[C@H](c3ccc(F)cc3)C2)c1	585039189	PJJMPGIJCPOWGB-YJBOKZPZSA-N	313.181	1.931	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cc(F)c(F)c(F)c1	831486829	ZITTYIGONFMKNS-SVRRBLITSA-N	317.267	1.682	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H]2CCCNC2=O)c(Cl)c1	838779600	PTFPWJMTWKUSCX-JTQLQIEISA-N	310.785	1.801	50	20	DDGD	
O=C1NCC[C@@H]1C(=O)NNc1ccc(Br)c(F)c1	832356212	DLEIEHQUHVFZSC-ZETCQYMHSA-N	316.130	1.167	50	20	DDGD	
OB(O)c1ccc(CNc2ccc3c(c2)CCC2(CCC2)O3)o1	585049366	OTIKABCBYLPJGY-UHFFFAOYSA-N	313.162	1.819	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)c2ccnn2CCN(C)C)c1	901165642	YJZHGUIHBUBJTB-UHFFFAOYSA-N	301.394	1.818	50	20	DDGD	
CC(C)C[C@@H](CN1CCCC1)NCc1ccc(B(O)O)cc1F	585043453	MSMNPVVZVOLHIQ-INIZCTEOSA-N	322.233	1.106	50	20	DDGD	
C[C@@H]1CC[C@H](CNC(=O)NNC(=O)Cc2ccccc2F)O1	838747057	YFHABQHIEIDELL-ZYHUDNBSSA-N	309.341	1.266	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCOc2ccccc2C1	731849121	RRPXJBWEJUQOPA-ZDUSSCGKSA-N	319.405	1.463	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2cc(C(F)(F)F)ccn2)CCC1	832962765	KKYLXBPEJAJZOU-UHFFFAOYSA-N	316.283	1.460	50	20	DDGD	
NC(=O)N1CC[C@@H](NC(=O)CCCC[C@H]2CCSS2)C1	733971760	MRDXJWAKZMVPEM-MNOVXSKESA-N	317.480	1.970	50	20	DDGD	
O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1cccc(F)c1	915907493	RRDUQSUQDXZYCH-UHFFFAOYSA-N	324.319	1.630	50	20	DDGD	
N#Cc1cccc(NNC(=O)N[C@@H]2CCCN(C(=O)O)C2)c1	739134065	UKFDPSKRACNCOL-GFCCVEGCSA-N	303.322	1.327	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNc1cc(C(F)(F)F)ccn1	839780507	UTTBRGXZEGMIFR-VIFPVBQESA-N	318.299	1.691	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccnc(C)n2)c1	917387748	JUTKQNQRITWZBF-UHFFFAOYSA-N	314.345	1.242	50	20	DDGD	
O=C(NNc1ccncn1)N[C@@H]1CC[C@H]2SCCS[C@H]12	836378455	HSLVYQKLNASLCS-FXPVBKGRSA-N	311.436	1.482	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN[C@H]2CCC[C@@H]3C[C@H]23)c1	839196913	SBWGATFQXZPAEU-SNPRPXQTSA-N	301.390	1.534	50	20	DDGD	
Cc1cc(NNC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)ncn1	749323391	GYQYUVRMCVJNBW-INIZCTEOSA-N	312.329	1.400	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(OC)c(C#N)c1	748254246	XLCORDXTKUUEHQ-NSHDSACASA-N	305.334	1.068	50	20	DDGD	
C[C@@H](Cc1cnc[nH]1)C(=O)NNc1cccc(S(C)(=O)=O)c1	847667960	PNWQKVGGWXJUNI-JTQLQIEISA-N	322.390	1.135	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@H]1CNCCC1(F)F	843358756	YNBSTKCKKIGRNN-MRVPVSSYSA-N	300.265	1.283	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)COc1ccc(C)c(C)c1	749757503	NTWXTGPDCACBHB-LBPRGKRZSA-N	309.435	1.976	50	20	DDGD	
Cc1cc(C)c(NNC(=O)N[C@H]2CCCN(C)C2=O)c(C)c1	748663253	IVXWVECEQRSDFQ-ZDUSSCGKSA-N	304.394	1.859	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1ccc2c(c1)OCCO2	745603069	SPUQWINPZKIBMO-UHFFFAOYSA-N	305.334	1.224	50	20	DDGD	
CNC(=O)c1ccc(C=NNC(=O)c2sc(N)nc2C)cc1	912817851	YPFRIVUQPNIRRV-UHFFFAOYSA-N	317.374	1.157	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@H]1CCN(C)[C@H](C)C1	745855797	ZYATTYJJVGXCJB-OLZOCXBDSA-N	319.409	1.813	50	20	DDGD	
COCCOCC(C)=NNC(=O)COc1ccc(OC)cc1	741160969	AQWPKTUFPSAJQE-UHFFFAOYSA-N	310.350	1.229	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1ccccc1Br	744824182	RXZQZOCPBZHZNV-UHFFFAOYSA-N	324.178	1.568	50	20	DDGD	
C[C@H](CN)CNC(=O)NNc1ccc(F)cc1Br	841962603	LIJGCDRCPMUMMQ-SSDOTTSWSA-N	319.178	1.809	50	20	DDGD	
CSSCCNC(=O)[C@]1(c2ccccc2)CCC(=O)NC1	848052961	LBRGXNAMYJCFRT-OAHLLOKOSA-N	324.471	1.962	50	20	DDGD	
COCC(=O)NN=Cc1cc(OC)ccc1Br	747766605	UXROUTARRPZJFP-UHFFFAOYSA-N	301.140	1.554	50	20	DDGD	
O=C(CNC(=O)c1cccc(F)c1)NNc1ccc(Cl)nc1	743818277	QLAYNVGQDCSPOH-UHFFFAOYSA-N	322.727	1.747	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1cc(F)c(OC)cc1OC	844275390	VXDQETILXXQGSZ-WDZFZDKYSA-N	309.293	1.939	50	20	DDGD	
CNC(=O)NNC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1	747414562	FEDOVJNWZVQKGT-NXEZZACHSA-N	312.167	1.513	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)NNC(=O)c1cc2ccccc2o1	749473575	HLOCPYIYUDTKTF-UHFFFAOYSA-N	303.318	1.109	50	20	DDGD	
Cc1cc(C=NNC(=O)c2ccc3c(c2)OCCO3)nn1C	841615524	AGKISWOWRGVFCI-UHFFFAOYSA-N	300.318	1.264	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CCC1	746795304	ITQAAXCRUVRHHT-UHFFFAOYSA-N	302.330	1.719	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc(O[C@H]2CCOC2)cc1	849177444	MCUTWKWQCFFPPT-DNXIFWLFSA-N	316.357	1.524	50	20	DDGD	
COc1ccc(C)cc1C(C)=NNC(=O)C(=O)N1CCCC1	748136859	UGNHXCQOWKMRMK-UHFFFAOYSA-N	303.362	1.466	50	20	DDGD	
COc1ccccc1C(C)(C)NCC(=O)NNC(=O)C(C)(C)C	744398340	GPGJIKYQPRJBCV-UHFFFAOYSA-N	321.421	1.713	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H](C)C(F)(F)F	742478947	XUVACBYJKPTTMR-HTQZYQBOSA-N	322.258	1.939	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(-n2cccn2)cc1	843642968	BPEYNUNDIBXDDO-FZMZJTMJSA-N	314.345	1.058	50	20	DDGD	
CN1CC[C@H]1CNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	925393279	FZKGJBUJVVLMGU-AWEZNQCLSA-N	318.421	1.632	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CSC(F)F)cc1C	920821252	STNHTWZJHHPSPB-UHFFFAOYSA-N	318.345	1.785	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCCO2)NNC(=O)NC1CCCC1	843777276	GEKACSBWRVBDCE-UHFFFAOYSA-N	317.389	1.827	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cn2cc(Cl)ccc2n1	842557413	QJOZIBIYLBXQIL-JOYOIKCWSA-N	306.753	1.863	50	20	DDGD	
O=C1Nc2cc(O)c(Cl)cc2C1=NNC(=O)[C@@H]1CCCCO1	853352635	BZFBZLARZUQGLW-NSHDSACASA-N	323.736	1.387	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2cc(N(C)C)ccn2)nn1	924656355	CRTQWEWRVLRRSH-UHFFFAOYSA-N	301.354	1.072	50	20	DDGD	
C#CCOc1cccc(NC(=O)NNC(=O)c2ccncc2)c1	756479637	OOOSTDQCDFUXDF-UHFFFAOYSA-N	310.313	1.560	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1cccc(N2CCCC2)c1	857130190	PMNSNKDNORKEIO-UHFFFAOYSA-N	323.360	1.710	50	20	DDGD	
C[C@H](c1ccccc1)[C@H](CO)NC(=O)NNC(=O)C1CCCC1	753343832	KJDOFKDTUNWDMY-DOMZBBRYSA-N	319.405	1.672	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1cccc(C2CCOCC2)c1	859747547	XWPMHBDXMVUINB-UHFFFAOYSA-N	320.393	1.472	50	20	DDGD	
CCN(CC)CCSCC(=O)NNC(=O)CC(F)(F)F	855000379	HGVIXZYSLGUGON-UHFFFAOYSA-N	315.361	1.161	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2C[C@@H](C)Cc3c[nH]nc32)n1	857862846	LZUVMLSLSHVZBX-GXSJLCMTSA-N	301.350	1.623	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)CCc1ccccc1	756624990	JESHRKMUZYVMQR-OAHLLOKOSA-N	317.389	1.168	50	20	DDGD	
CN(C)C(=O)c1ccc(NC[C@@]2(C)C[C@H]2Br)nn1	856786821	KAFSAAROZFRHJW-BXKDBHETSA-N	313.199	1.764	50	20	DDGD	
CC(C)(C)OC(=O)NCC1(C=NNC(=O)c2cc[nH]n2)CCC1	853392898	VXBGSHUQPSZNQX-UHFFFAOYSA-N	321.381	1.820	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C1CC(F)(F)C1	753563466	NQRRIGIHOZSFMB-NSHDSACASA-N	312.272	1.019	50	20	DDGD	
C[C@@H](CC=NNC(=O)Cc1cc(O)nc(O)n1)c1ccccc1	755751479	YAARBRCAAITJER-NSHDSACASA-N	314.345	1.726	50	20	DDGD	
Cc1cc(F)cc(C(=O)NNC(=O)c2ccccn2)c1[N+](=O)[O-]	758355646	XXAXATPEWCRUEK-UHFFFAOYSA-N	318.264	1.512	50	20	DDGD	
Cc1noc(CCCC(=O)NC[C@@]2(C)C[C@H]2Br)n1	857397796	IYSRJYWOEJGWRC-BXKDBHETSA-N	316.199	1.990	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=C(C)c2cnc[nH]2)o1	853297357	BRWVVAMKOVHNPW-UHFFFAOYSA-N	303.366	1.999	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)N[C@H](C)C2CC2)nn1C(C)(C)C	855102288	JECOGPYEHTXCDM-SNVBAGLBSA-N	323.466	1.854	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCc1ccc(F)c(F)c1F	753281871	HBGIFPSOAMSGKV-UHFFFAOYSA-N	319.283	1.013	50	20	DDGD	
O=C(CO)NNC(=O)Nc1cccc(Oc2ccccc2)c1	756240691	FNCYLRJQTLUBHM-UHFFFAOYSA-N	301.302	1.624	50	20	DDGD	
C[C@@]1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H]1Br	857395342	SADPZLWMYAJBBM-MUWHJKNJSA-N	303.116	1.221	50	20	DDGD	
CC1=C(C(=O)NNC(=S)N[C@@H](C)C2CC2)SCCO1	855096783	DNPGOXLLHKBZJM-ZETCQYMHSA-N	301.437	1.275	50	20	DDGD	
CCNC(=O)NN=Cc1nc2ccccn2c1Br	755668596	NVWGLMBTPBBXCZ-UHFFFAOYSA-N	310.155	1.750	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NNc2ncc(Cl)cn2)C1	857871937	YSYWDRSCLCMOHP-XCBNKYQSSA-N	306.757	1.662	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=Cc1ccc(N)nc1	853408551	UKTHQOXHUBJYAJ-UHFFFAOYSA-N	305.382	1.056	50	20	DDGD	
COc1coc(CN(C)NC(=O)OCc2ccccc2)cc1=O	859387513	UACPFRWJXBOYHW-UHFFFAOYSA-N	318.329	1.922	50	20	DDGD	
C[C@@]1(CNC(=O)NCCOCC(F)F)C[C@H]1Br	856851118	AVYJBYGALNWLJL-XCBNKYQSSA-N	315.158	1.741	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@H](C(=O)O)C2)C[C@H]1Br	857101436	XKCQTOZEJUOGHQ-VAOFZXAKSA-N	305.172	1.276	50	20	DDGD	
CC1(c2ccccc2)CC(NC(=O)NNC(=O)c2cn[nH]c2)C1	858199618	FRSVUULARPSFEL-UHFFFAOYSA-N	313.361	1.474	50	20	DDGD	
CSc1cccc(NC(=O)NNC(=O)c2cnccn2)c1C	757903534	WXPFJSKXPNXHAI-UHFFFAOYSA-N	317.374	1.973	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1cccc(S(C)(=O)=O)c1)C1CC1	853290361	WTBBQNFINPYQMX-ZDUSSCGKSA-N	310.375	1.231	50	20	DDGD	
Cn1ncc(Cl)c1C(=O)NNC(=O)c1cc2c(s1)CCC2	854202382	FIYVNNRBBBMQQH-UHFFFAOYSA-N	324.793	1.699	50	20	DDGD	
CC(C)N1CC(=NNC(=O)[C@@H]2COc3ccccc3O2)[C@@H](C)C1	754256604	XFVNKQYKNZDCOU-LRDDRELGSA-N	317.389	1.659	50	20	DDGD	
CCOc1nc(C(=O)NNC(=O)c2cccc(N(C)C)c2)co1	753780085	MAGXNGPOCFZPEY-UHFFFAOYSA-N	318.333	1.214	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CS(=O)(=O)C(C)(C)C)c1	862478864	TYISWBHORHSXJK-UHFFFAOYSA-N	318.420	1.031	50	20	DDGD	
CN(CC(=O)OC(C)(C)C)S(=O)(=O)CC(C)(C)CCl	866687963	KRNYUPXWRSYIBK-UHFFFAOYSA-N	313.847	1.855	50	20	DDGD	
CN1CCCC[C@@H](CNS(=O)(=O)CC(C)(C)CCl)C1	867561050	YVQCZYDSYIIRJP-LBPRGKRZSA-N	310.891	1.903	50	20	DDGD	
COc1cc(C)cc(C(=O)NNc2nccnc2OC)c1O	764485347	VEWDAGMZUHLADK-UHFFFAOYSA-N	304.306	1.265	50	20	DDGD	
CSCCNC(=S)NNC(=O)CC[C@@H]1CC[C@@H](C)O1	769769463	UCWDDAGHIJYINH-ZJUUUORDSA-N	305.469	1.192	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccc(C)c(C(N)=O)c1	764648047	CGQGLFJKNMTVGG-UHFFFAOYSA-N	316.321	1.041	50	20	DDGD	
CCOC(=O)N1CCC(C(=O)NN[C@@H](C)C(F)(F)F)CC1	862304376	ARBXLZMHDUGCGT-QMMMGPOBSA-N	311.304	1.427	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1	763515946	FUPVQWAXRUSEOF-UHFFFAOYSA-N	305.334	1.021	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21	861515117	OZVCVDXFYVYBBG-OUAUKWLOSA-N	313.279	1.465	50	20	DDGD	
Cc1cc(COC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)nn1C	767995845	DLDDHXIRGQNIEO-NSIKDUERSA-N	323.356	1.898	50	20	DDGD	
O=C(CC1CCSCC1)NNC(=O)c1ccc2c(c1)OCO2	761783980	KUZDVWZHKYBFHG-UHFFFAOYSA-N	322.386	1.710	50	20	DDGD	
C[C@H](NNC(=O)C[C@@H]1COc2ccccc2O1)C(F)(F)F	862320038	DSHCGNTXPURDQV-DTWKUNHWSA-N	304.268	1.788	50	20	DDGD	
N#CCOc1cc(F)ccc1NCc1ccc(B(O)O)cc1	864009471	XXRJHEDFPXFBKK-UHFFFAOYSA-N	300.098	1.020	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](CC)Cc1ccc([N+](=O)[O-])cc1	765868154	ZWEBMXGONRHRFQ-GFCCVEGCSA-N	322.365	1.856	50	20	DDGD	
CC(=NN(C)C(N)=O)c1ccc(N2CCOCC2)cc1Cl	767909903	ALGLVJBAHXMUOV-UHFFFAOYSA-N	310.785	1.911	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc(C(=O)NC2CC2)c1	878096921	NEWFHGQVBQQGCQ-UHFFFAOYSA-N	306.366	1.194	50	20	DDGD	
CN(CCN(C)S(=O)(=O)CBr)c1ccccc1	771472119	FTEQYNFXJQOGID-UHFFFAOYSA-N	321.240	1.737	50	20	DDGD	
CCC[C@H](CC)C(=O)NNC(=O)COc1ccc(C#N)cc1	873778085	LPMVCCZMDMTEJP-ZDUSSCGKSA-N	303.362	1.911	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ncccn2)cnn1C1CCCC1	1118023603	PNOZXTCYUDCSCJ-UHFFFAOYSA-N	314.349	1.171	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@H]1CCC=CO1	772997397	UQDKRYSSWFQNLZ-GXFFZTMASA-N	324.764	1.947	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@](C)(O)C(C)C)cc1	770220059	OQYFXIAFNGNJIE-OAHLLOKOSA-N	310.419	1.642	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H]1SCCc2sccc21	1116139448	ITZMPWWCMJXUKM-JTQLQIEISA-N	315.489	1.982	50	20	DDGD	
N#CCOc1cccc(C=NNC(=O)c2n[nH]c3c2CCCC3)c1	1115850681	YRXPEBOVFUQCOV-UHFFFAOYSA-N	323.356	1.955	50	20	DDGD	
CO[C@H](C)CCC(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874952679	DAFHGBXMNUSZOG-LLVKDONJSA-N	324.450	1.885	50	20	DDGD	
O=C(NNC(=O)C1(F)CCCC1)c1cnn(-c2ccccc2)c1	772990259	QCMDEBYLAPBWNU-UHFFFAOYSA-N	316.336	1.916	50	20	DDGD	
COC[C@H](C)NC(=O)NNC(=O)c1nc2ccccc2s1	871631240	MCXQEMRUQCBXCT-QMMMGPOBSA-N	308.363	1.275	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(F)c(OC)cc1OC	878905043	PLEVNVQXPVQYNX-UHFFFAOYSA-N	301.318	1.458	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C[C@@H](O)c1cccc(F)c1	772565934	IMYVVZAETFTSKZ-CYBMUJFWSA-N	305.309	1.049	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cc2ccccc2CO)cc1	779752305	KZNPNTGMGOPWKZ-UHFFFAOYSA-N	309.325	1.054	50	20	DDGD	
C[C@@H](NC(=O)NNc1cc(Cl)ccn1)[C@@H]1CN(C)CCO1	778705725	OIRBCDGVCXZVTG-KOLCDFICSA-N	313.789	1.080	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2cc(C)cc(C)n2)n1	773491190	XAGHAJVVMDFLDS-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
CCOC1CC(CC(=O)NNC(=O)c2ccc(C)c(O)c2)C1	882049604	CJGOABMFTUMUKP-UHFFFAOYSA-N	306.362	1.667	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2ccc(C#N)cn2)CN1C1CC1	888527058	UZHHPCXZLXIKHB-JQWIXIFHSA-N	300.366	1.205	50	20	DDGD	
C[C@H](NC(=O)NNc1cc(Cl)ccn1)[C@H]1CN(C)CCO1	778705722	OIRBCDGVCXZVTG-GXSJLCMTSA-N	313.789	1.080	50	20	DDGD	
CSCCNC(=S)NNC(=O)CO[C@@H]1CCCC[C@H]1C	770246448	SDNZQPWXMNECTC-GHMZBOCLSA-N	319.496	1.440	50	20	DDGD	
CC(C)COc1cccc(OCC(=O)NNC(=O)NC(C)C)c1	772792157	SVORCBQYJIOYPE-UHFFFAOYSA-N	323.393	1.839	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H]1CCc2c[nH]nc2C1	772866916	OWRIEDTWZQKUEB-SNVBAGLBSA-N	300.366	1.571	50	20	DDGD	
CN(C)CC[C@H](NS(=O)(=O)CBr)C(C)(C)C	782444432	KLGYTMKFJMIWAA-VIFPVBQESA-N	315.277	1.625	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](C)CNC(=O)OC(C)(C)C	887148945	CNOFKLPTXUYTGT-NSHDSACASA-N	311.382	1.098	50	20	DDGD	
COCCC1(CNS(=O)(=O)CBr)CCC1	782472246	NIALSQYCHKFPLR-UHFFFAOYSA-N	300.218	1.465	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21)c1cccc2cccnc12	780448344	NSNRFGGZDGRKKL-UXIGCNINSA-N	311.341	1.421	50	20	DDGD	
COc1ccc(NNC(=O)NCCCC(=O)OC(C)(C)C)nc1	781000121	WLTFOPDRLDABMV-UHFFFAOYSA-N	324.381	1.838	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)SCC(=O)OC1CCCCC1	783471289	CGVONKQGODJGRC-JTQLQIEISA-N	316.423	1.541	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC[C@H](c2cccc(C)c2)C1	784480958	WDOXOAIWAHARPF-HIFRSBDPSA-N	303.406	1.730	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNc2cc(F)c(F)cc2F)n1	782017758	COGVXLALNUYJQG-UHFFFAOYSA-N	310.235	1.355	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@H]1CCc2ccccc2O1	899998339	KERSCWDAFFZUCL-LBPRGKRZSA-N	307.419	1.674	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1cnn(Cc2ccccc2)c1Cl	789051512	RKVNCEUHSTVNMK-UHFFFAOYSA-N	320.780	1.806	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(CNC(N)=O)cc2)nc1	781526961	LIGHIBPJULGAAM-UHFFFAOYSA-N	315.333	1.015	50	20	DDGD	
C[S@@](=O)Cc1cccc(C(=O)NNc2ccnc(F)c2)c1	781366250	AMNWBIZMXYUVEU-OAQYLSRUSA-N	307.350	1.856	50	20	DDGD	
Cc1conc1NC(=O)C(=O)NNc1nccc2sccc12	783435362	FHDXFWFOLVACKZ-UHFFFAOYSA-N	317.330	1.675	50	20	DDGD	
Cc1ccc(-n2cnnc2)c(C(=O)NNc2nc(C)cc(C)n2)c1	789953422	SOMKXYHNWNXPOT-UHFFFAOYSA-N	323.360	1.739	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2(OC)CCC2)cc1OC	781555495	CFBOKZPHQRQVTL-UHFFFAOYSA-N	308.334	1.034	50	20	DDGD	
C[C@H]1CC[C@H](NC(=O)NNC(=O)Cc2cn3ccccc3n2)C1	780794042	FBVVLMMQUXJNCO-RYUDHWBXSA-N	315.377	1.396	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1cc2nn[nH]c2cc1F	781960643	LIMCQCINHXOAMO-UHFFFAOYSA-N	311.280	1.730	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1ccnn1-c1ccc(F)cc1	794957476	DPTYIAYNCRJPGG-ZROIWOOFSA-N	320.349	1.767	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)CNc1ccccc1	794902474	RFRCGBHKHCFZMD-VXGBXAGGSA-N	303.362	1.251	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCC[C@@H](c2cccnc2)C1	799872512	UCKSOLUMCUOLOI-CYBMUJFWSA-N	314.389	1.834	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ncc(CN(C)C)s1	794695852	QAQJQSOGRQBGGA-XFFZJAGNSA-N	308.407	1.264	50	20	DDGD	
Cc1cccnc1NNC(=O)NCc1cnc2n1CCCC2	790971711	PDKZROKADGHLOR-UHFFFAOYSA-N	300.366	1.749	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCc2ccc(F)c(F)c2)n1	792918653	UWHTVIZVLIUGSZ-UHFFFAOYSA-N	320.299	1.812	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2c(C)nn(C)c2Cl)n1	794080510	NUIPYMNOMAVFCA-UHFFFAOYSA-N	307.741	1.160	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NNc1oc(C(C)C)nc1C#N	795822380	FKPQQWSODUGXKM-GFCCVEGCSA-N	319.365	1.514	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)NC3CCCC3)cc2n1C	793253326	FARWKEUQMDZAJH-UHFFFAOYSA-N	315.377	1.768	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNc1ccc(Cl)c(OC)c1	790178991	GWBFNRSJEUVOSP-UHFFFAOYSA-N	315.757	1.926	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H](OC)[C@@H](C)CC)nc1C	793784086	VDLBPZMHTMQLNW-CABZTGNLSA-N	324.381	1.466	50	20	DDGD	
Cc1ncc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])c(N)n1	791075714	HKTCSGDGPJCLLZ-UHFFFAOYSA-N	306.257	1.171	50	20	DDGD	
COc1cc(C(=O)NN=Cc2cn(C)cn2)cc(OC)c1OC	794456274	PFRORXVYBNGDQQ-UHFFFAOYSA-N	318.333	1.210	50	20	DDGD	
C=CCNC(=S)NNC(=O)C[C@@H](O)c1ccc(Cl)cc1	798305975	OIGPDKUYNXJQGU-LLVKDONJSA-N	313.810	1.445	50	20	DDGD	
COC(=O)c1occc1C=NNC(=O)COc1cccc(C)c1	794747642	BAYHWOUUYLGETG-UHFFFAOYSA-N	316.313	1.904	50	20	DDGD	
Cc1nn(C)cc1[C@@H](C)NC(=O)NNc1nncc(N)c1Cl	1319217150	HWTSHEMEDXGUBU-ZCFIWIBFSA-N	324.776	1.141	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)C(=O)OC)c1ccc(Cl)cc1	1319004482	VYTYFWGJIWGEIY-JTQLQIEISA-N	313.741	1.295	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1csc([C@@H]2CCCO2)n1	1319705534	LUMGEWVPFUVJGQ-VIFPVBQESA-N	314.436	1.512	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCCC[C@H]2N(C)C)o1	1319135141	KPQQXIIRXBDIEH-NWDGAFQWSA-N	308.382	1.405	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)NC(C)C)nn1[C@H](C)C1CC1	1319864981	XLDDVILZLYJADI-SNVBAGLBSA-N	309.439	1.680	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(C(=O)OC)cc1C	1320607474	QWUSESADTMMWHP-UHFFFAOYSA-N	308.338	1.479	50	20	DDGD	
COCCN(C)NC(=O)c1cc(-c2ccc(Cl)cc2)nn1C	1326751059	TZHVNWKKVNMQDE-UHFFFAOYSA-N	322.796	1.964	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccccc1OC1CCCC1	1320510765	ZHXYGGCEDYTXJH-UHFFFAOYSA-N	307.350	1.543	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)CC(C)C)c1ccc(F)cc1	1252727955	RJECOAIVYGLPLT-CYBMUJFWSA-N	311.357	1.890	50	20	DDGD	
CC1=NO[C@](C)(C(=O)NNC(=O)CCOc2ccccc2)C1	1335759218	INVIIVJMZUCWCP-HNNXBMFYSA-N	305.334	1.158	50	20	DDGD	
O=C(O)c1cccc2c1C(=NNC(=O)C1CCOCC1)CC2	1262038470	NUGJSOCFKRGNEQ-UHFFFAOYSA-N	302.330	1.578	50	20	DDGD	
O=C(NC[C@@H]1CCCN1CC(F)(F)F)NNc1ccccn1	1341983507	MTKMYXCVCZSYLK-JTQLQIEISA-N	317.315	1.734	50	20	DDGD	
C[C@@H](C(=O)NNC(=S)NCCc1cccs1)n1ccnc1	1347298239	OCFUGHRWFFVGQY-JTQLQIEISA-N	323.447	1.244	50	20	DDGD	
CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C2CCC(Cl)CC2)C1	1347327020	YPRDRYWBOSAYCA-BPCQOVAHSA-N	315.845	1.998	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(Cl)[nH]1	1528402305	YIPVHSJJKRGHQZ-UHFFFAOYSA-N	303.746	1.218	50	20	DDGD	
O=C(O)C1CC(NS(=O)(=O)c2ccc(CCl)cc2)C1	1601760270	JIOSVVVNBZBSKV-UHFFFAOYSA-N	303.767	1.567	50	20	DDGD	
O=C(Cc1ccc(C(=O)O)cc1)NNC(=O)NC1CCCC1	1601356137	GPUHLEYVJRARIC-UHFFFAOYSA-N	305.334	1.200	50	20	DDGD	
Cc1cc(C=NNC(=O)c2cccnc2)ccc1-c1nn[nH]n1	1609399510	BZHSWKLJJZBLCT-UHFFFAOYSA-N	307.317	1.334	50	20	DDGD	
C[C@@H](/C=C/C(=O)O)NS(=O)(=O)c1ccc(CCl)cc1	1604061769	WYAAXPRTNARWAS-NOKZVFQSSA-N	303.767	1.733	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)cc1C#N	1605821429	NCPIBVUCRCMDDX-UHFFFAOYSA-N	320.316	1.199	50	20	DDGD	
O=C(O)CCNC(=O)CCNC(=O)c1cccc(CCl)c1	1608728913	ZWSSXDUCGWSPHC-UHFFFAOYSA-N	312.753	1.136	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1cc(C)c(C(=O)O)o1	1607878762	YCAIVWJPLSQBQH-UHFFFAOYSA-N	316.313	1.598	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc(C)c(C(=O)O)c2)n1	1600512519	UMLYSSBKYBEADH-UHFFFAOYSA-N	313.313	1.471	50	20	DDGD	
O=C(NCc1ccccc1)NNC(=O)[C@H](C(=O)O)C1CCCC1	1605806936	RCZKKTOXVKXZTG-CYBMUJFWSA-N	319.361	1.408	50	20	DDGD	
C=C(C)C[C@H](NC(C)=O)C(=O)NNc1ccc(C(=O)O)c(F)c1	1602755583	YGTQWZUTPCNMOR-ZDUSSCGKSA-N	323.324	1.438	50	20	DDGD	
CC(CCc1ccc(OCCC(=O)O)cc1)=NNC(=O)C(=O)O	1604149232	XNODIPZRJBFSQQ-UHFFFAOYSA-N	322.317	1.049	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@@]2(C)C[C@H]2Br)C[C@H]1CC(=O)O	1607429780	BNYIRLCAVNEUFN-HNBLOZHYSA-N	304.184	1.729	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cc3n(n2)CCC3)c(F)c1	1610835648	DIVYJMYKDOAEQH-UHFFFAOYSA-N	304.281	1.424	50	20	DDGD	
Cc1cc(F)ccc1C=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549318544	PROYRLFNOGYIJZ-HUUCEWRRSA-N	305.353	1.447	50	20	DDGD	
CC1(C)CC(=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)C(C)(C)O1	1549316310	FPRNNYMZMDAUTH-NWDGAFQWSA-N	309.410	1.299	50	20	DDGD	
Cc1cccc(NNC(=O)COc2ccc(CCCN)cc2)n1	1579772120	PIFTVXHIOCEHKE-UHFFFAOYSA-N	314.389	1.803	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCNCC1)c1c[nH]c2ccccc12	1580733481	WBHDQCLXACAHFD-LLVKDONJSA-N	300.362	1.319	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)C(C)(F)F)C1	1842843595	CLNUXXVQZNMWKE-SECBINFHSA-N	308.756	1.862	50	20	DDGD	
CC(C)[C@@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](F)Cl	1847830100	DOMXUYRKTKBDBJ-UKKRHICBSA-N	322.833	1.677	50	20	DDGD	
COc1ccnc(NNC(=O)NCC2(CC(=O)O)CCCC2)n1	1599722534	LEDMVLPZGXKUDW-UHFFFAOYSA-N	323.353	1.146	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@@H]2F)C1	1841791121	HHKAAXIUVQDUEF-UTUOFQBUSA-N	316.804	1.955	50	20	DDGD	
COCCN(CC(C)C)NC(=O)[C@H](C(=O)O)C1CCCC1	1594000135	BAIMEVAHQZOAOV-CYBMUJFWSA-N	300.399	1.513	50	20	DDGD	
O=C(O)[C@@H](C(=O)OCCCI)C1CC1	1594836983	BJODPYLDRAXZKP-ZETCQYMHSA-N	312.103	1.466	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccccc1S[C@H](C)C(=O)O	1590938376	CXTAOAUPSNGGEQ-SECBINFHSA-N	310.375	1.669	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccc(C(=O)O)nc2)o1	1592008512	POLPZIQZTVZWJJ-UHFFFAOYSA-N	315.289	1.520	50	20	DDGD	
O=CNc1cccc(NC(=O)NNc2ncccc2C(=O)O)c1	1595295374	HNPRQPIVTYSTRU-UHFFFAOYSA-N	315.289	1.497	50	20	DDGD	
CCc1ccc(NNC(=O)Cn2cccc(C(=O)O)c2=O)cc1	1597551788	NOGOWYVZDBWZPW-UHFFFAOYSA-N	315.329	1.252	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccncc2)ccc1-c1nn[nH]n1	1591523266	UHVGPHBSBSVOJC-UHFFFAOYSA-N	323.316	1.034	50	20	DDGD	
CC(=NNC(=O)C1CCOCC1)c1cc(C(=O)O)c(C)nc1C	1776101996	DTTVDYTXVDTCPB-UHFFFAOYSA-N	319.361	1.663	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1cc(F)c(C(=O)O)c(F)c1	1776946105	TUFVRUYMXSNSIW-BAQGIRSFSA-N	301.270	1.962	50	20	DDGD	
Cc1nn(C)c(Cl)c1C(=O)NNC(=S)NC(C)(C)C	12747653	CSVCDHIVRYACAL-UHFFFAOYSA-N	303.819	1.289	50	20	DDGD	
Cc1cc(CC(=O)NNC(=S)Nc2ccccc2F)[nH]n1	17514181	UUBCNZFCXABKPX-UHFFFAOYSA-N	307.354	1.418	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cc3ccccc3o2)on1	153508695	KIHUJGWKYKAPJS-UHFFFAOYSA-N	301.258	1.504	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@]1(O)CCSC1)c1ccccc1	153886607	LXCFAAXUNUKBMN-WFASDCNBSA-N	308.403	1.196	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNc2cccc(C(F)(F)F)n2)c1	155907451	WYOWMBRLIKTJTM-UHFFFAOYSA-N	324.262	1.956	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2cccc(N(C)C)c2)CCCO1	159615111	VLSKSBOVYIOKBY-UHFFFAOYSA-N	303.362	1.598	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)nc1	159144854	ARBAVSJKISYDJJ-LBPRGKRZSA-N	318.377	1.182	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H](OC)c1ccccc1	4838824	BFEBCZWPJAJEOO-HNNXBMFYSA-N	314.341	1.844	50	20	DDGD	
C=C(C)CNC(=S)NNC(=O)C(=O)Nc1ccc(C)cc1	8081371	CWKWVBJBUIYWAB-UHFFFAOYSA-N	306.391	1.005	50	20	DDGD	
Cc1ccc(C(C)(C)C(=O)NNC(=O)C(=O)N2CCCC2)cc1	103077887	PTWBAOQDZHLSQB-UHFFFAOYSA-N	317.389	1.042	50	20	DDGD	
COCc1ccc(CNC(=O)NNc2ccc(C)nn2)cc1	106259647	WPWQWRKOOVXNTA-UHFFFAOYSA-N	301.350	1.758	50	20	DDGD	
CC(=O)NCc1ccc(C(=O)NNC(=S)NC(C)(C)C)cc1	28716798	VEQRBSMNYGXGIX-UHFFFAOYSA-N	322.434	1.230	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CC[C@@H]1CCOC1	176489470	JSYCZAIAZPMAGA-NWDGAFQWSA-N	324.352	1.557	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C2(C#N)CCCC2)c1	52634140	RONYDKBLLPMTHQ-UHFFFAOYSA-N	315.373	1.914	50	20	DDGD	
CCC(C)(C)c1ccc(S(=O)(=O)NNC(=O)N(C)C)cc1	174047751	ATPIOTRQEWFYTR-UHFFFAOYSA-N	313.423	1.839	50	20	DDGD	
N#Cc1ccc(NC(=O)NNc2ccc(-n3cccn3)nn2)cc1	56323406	PMSXVTIGXVPHPO-UHFFFAOYSA-N	320.316	1.683	50	20	DDGD	
Cc1nc(-c2ccc(S(=O)(=O)NNC(=O)N(C)C)cc2)co1	117229138	AAUHMRXIBPJSNX-UHFFFAOYSA-N	324.362	1.115	50	20	DDGD	
COc1cccc([C@@H](C)C(=O)NNC(=O)c2c[nH]nc2C)c1	110760770	AGFCUIAZGAUSCW-SECBINFHSA-N	302.334	1.291	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NC[C@@H](c1cccc(F)c1)N(C)C	28805471	HFJOWTHYBFIUGM-VOMSXAGXSA-N	305.353	1.989	50	20	DDGD	
CCCCCCC(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12	29459791	RHTLQKLHRWMRCN-UHFFFAOYSA-N	316.361	1.655	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)C(=O)NC(C)C)c1ccccc1Cl	171355139	WVOLZRASNHYCGV-CSKARUKUSA-N	323.780	1.415	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCc1ccccc1F	67454701	SAUYDJGEDUSNMN-UHFFFAOYSA-N	317.320	1.979	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ncccc2C)cc1C	174943452	APVYTHGUSXLYNP-UHFFFAOYSA-N	313.357	1.847	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NNC(=O)[C@H]2C[C@@H]2C)[nH]n1	170969145	VSFOZFVPWPLVQY-ONGXEEELSA-N	314.345	1.502	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(-c2ccncc2)on1	129642901	OUQGRBCZCQQESB-UHFFFAOYSA-N	303.322	1.481	50	20	DDGD	
O=C(NNc1ccccn1)Nc1ccc2c(c1)S(=O)(=O)CC2	180605074	WEDWVWYRSAAMFG-UHFFFAOYSA-N	318.358	1.560	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1cnn(CC(F)F)c1	185220910	VDIUVKPBUGGNKH-UHFFFAOYSA-N	309.276	1.230	50	20	DDGD	
Cc1ccc(C2(C(=O)NNc3cccnn3)CCOCC2)cc1	184798966	CZJBUKMJSMJCQM-UHFFFAOYSA-N	312.373	1.977	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)NNc2cc(C)nc(C)n2)c1C	128820774	FDAMHCBGDTXMMC-UHFFFAOYSA-N	301.350	1.998	50	20	DDGD	
Cc1ccc(-c2ccc(C(=O)NNC(=O)CN(C)C)s2)o1	180328640	REEPVDJZXOCFDB-UHFFFAOYSA-N	307.375	1.639	50	20	DDGD	
CS[C@@H](C)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	33224963	YUNPDSDKYFSLHI-BDAKNGLRSA-N	300.355	1.492	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CCC(C)C)cc1C	72576430	GLQAIGCAKIBOKW-UHFFFAOYSA-N	305.378	1.826	50	20	DDGD	
CCCOc1ccc(C(=O)NNC=C(C#N)C#N)cc1OC	78608429	BWDUONOALSSWST-UHFFFAOYSA-N	300.318	1.649	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C[C@H](NC(N)=O)c1cccs1	77219970	PTMVOHVJRQIQCQ-QMMMGPOBSA-N	312.395	1.041	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@H]1CC=CCC1	71822102	FXCNZJQXMZMATG-LBPRGKRZSA-N	303.362	1.611	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1	75720304	UMPPVRVWUWRMLN-UHFFFAOYSA-N	324.340	1.493	50	20	DDGD	
CCOc1cc(C)ccc1NC(=O)NNC(=O)c1cc(C)n[nH]1	184199024	ALNXBRPIWSNLLO-UHFFFAOYSA-N	317.349	1.892	50	20	DDGD	
COc1cccc(NNC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)n1	180666501	XGHWUGONEPGWRV-LBPRGKRZSA-N	318.377	1.182	50	20	DDGD	
CC(C)(Oc1ccc(C#N)cc1)C(=O)NNC(=O)c1cccnc1	133661342	KVGCFFBOBYEFJB-UHFFFAOYSA-N	324.340	1.572	50	20	DDGD	
COc1nccnc1NNC(=O)COc1cc(C)ccc1F	131965092	FHIVAXBFFZUSTP-UHFFFAOYSA-N	306.297	1.455	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cc(F)c(F)cc1F	131524364	BUZUEDCSSAIHDA-UHFFFAOYSA-N	309.247	1.503	50	20	DDGD	
Cc1noc(C2CC2)c1NC(=O)C(=O)NNC(=O)CC(C)(C)C	134797386	BNTKXMGEWQKHSL-UHFFFAOYSA-N	322.365	1.383	50	20	DDGD	
O=C(NNc1ncccn1)[C@@H]1COc2ccc(Cl)cc2C1	44716513	DFKJAWFTRKOEBR-JTQLQIEISA-N	304.737	1.824	50	20	DDGD	
C[C@@H]1CC[C@@H](CC(=O)NNC(=O)Cc2cn3ccccc3n2)C1	133168025	FRISQCLYKVLIBH-CHWSQXEVSA-N	314.389	1.851	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C(C)(C)O)sc2cccc(F)c12	190055166	OFKNQTJOHUEXPP-UHFFFAOYSA-N	310.350	1.881	50	20	DDGD	
CC(C)CN1CCC(NC(=O)NNC(=O)c2ccc[nH]2)CC1	193122608	NRMIEFZXDKKXQD-UHFFFAOYSA-N	307.398	1.079	50	20	DDGD	
CC1CCN(CC(=O)NNC(=O)c2c[nH]c3ccccc23)CC1	136092108	HDFPPZPKNXKPAY-UHFFFAOYSA-N	314.389	1.661	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccc(-n2cccn2)cc1	191919800	ZJQOJGQPJUPNLZ-UHFFFAOYSA-N	319.328	1.672	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)Cc2ccc(O)cc2)c1	96968528	BGHFINCZRIRMEB-UHFFFAOYSA-N	313.357	1.462	50	20	DDGD	
CCO[C@@H](C)C(=O)NNC(=O)c1ccc(Br)cc1	97292725	IFYMTKGMGFLVBE-QMMMGPOBSA-N	315.167	1.635	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2C	267466194	PJEWKETVNYCVIX-JTQLQIEISA-N	318.377	1.271	50	20	DDGD	
O=C(NCCc1c[nH]c2cc(F)ccc12)NNC(=O)C1CCC1	264746025	JCXDUXGQGSVSKF-UHFFFAOYSA-N	318.352	1.980	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)NC2CCCC2)c1Cl	266149001	QISSLVCIERICRI-UHFFFAOYSA-N	313.789	1.751	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)[C@H](C)c2ccncc2)n1	279593299	CVBBBHIUPNWVMH-GFCCVEGCSA-N	313.361	1.832	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H]2CCO[C@@H](C)C2)cc1	271834645	GNXZFTBGFXEQDB-STQMWFEESA-N	305.378	1.369	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](CC(=O)NNC(=O)Cc2cccnc2)CCO1	273172475	KTGZJFGXFIOFFL-ZFWWWQNUSA-N	319.405	1.613	50	20	DDGD	
CCc1cccc(CC)c1NC(=O)C(=O)NNC(=O)C1CC1	274114255	ZBKGZQPYDODORK-UHFFFAOYSA-N	303.362	1.307	50	20	DDGD	
CS(=O)(=O)c1cccc(OCCN2CC=C(C#N)CC2)c1	272699378	VXVOAPSPGNXEAD-UHFFFAOYSA-N	306.387	1.625	50	20	DDGD	
C[C@@]1(C2CCN(/C(=C/C#N)c3ccccc3)CC2)NC(=O)NC1=O	374201246	IUPCJOIVVGHMJW-APSGNOSNSA-N	324.384	1.861	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2[nH]ncc2C1)c1cccc(Cl)c1	270125253	LMBPGBMLDWBVNW-JTQLQIEISA-N	318.764	1.629	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cn(C)nc1C(C)C	271345987	CERVHVUMKZKHSE-UHFFFAOYSA-N	315.468	1.015	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cc(Cl)ccc1F	283817366	JMPSGRJKEINXCJ-SSDOTTSWSA-N	308.762	1.835	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)c1cnc2n1CCCC2	371243195	JHIJHKURHNQJEF-UHFFFAOYSA-N	324.344	1.625	50	20	DDGD	
CCOCC1(C(=O)NNc2nc(-c3ccncc3)no2)CC1	282487779	UJTSHUREQJKWQK-UHFFFAOYSA-N	303.322	1.391	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC2=CCCOC2)c1	288100273	WNOBUJXLOXXLAH-UHFFFAOYSA-N	305.334	1.446	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	282661508	ICEJJTDHCHFSNE-LLVKDONJSA-N	309.391	1.223	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)Cn1cc(Cl)cn1	289297914	YXJVKLWZQKLWDX-UHFFFAOYSA-N	320.780	1.707	50	20	DDGD	
CC(C)C(=O)Nc1cc(C(=O)NNC(=O)CC2CC2)ccn1	294099345	JCGQWPQDONSTMY-UHFFFAOYSA-N	304.350	1.237	50	20	DDGD	
CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)[C@@H]1CCCCO1	295678958	XUKCCPVKRUHARY-CABCVRRESA-N	320.389	1.869	50	20	DDGD	
CCCc1ncc(C(=O)NNC(=O)N=c2cc[nH]cc2)s1	802024942	YXDPYYVGXUHYGB-UHFFFAOYSA-N	305.363	1.379	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1cccc(-n2ccnn2)c1	807960855	RGUJUVSCDSABHQ-UHFFFAOYSA-N	323.360	1.382	50	20	DDGD	
Cc1nn(Cc2ccccc2)c(N)c1C(=O)NNc1ccccn1	803040394	UUYGTWJEBSUHKH-UHFFFAOYSA-N	322.372	1.974	50	20	DDGD	
Cc1ccc(CNC(=O)NCC(=O)NCCCSC#N)cc1	808025510	MXGIWJHKXUYPHJ-UHFFFAOYSA-N	320.418	1.515	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2cn(-c3ccccc3C)nn2)n[nH]1	807975511	AUWSJUOTSPOXGK-UHFFFAOYSA-N	309.333	1.371	50	20	DDGD	
CC[C@H](C)[C@@H](CNC(=O)NNC(=O)c1ccccc1O)OC	297617625	APLCFOQBNHCRCM-GXFFZTMASA-N	309.366	1.397	50	20	DDGD	
CCCN(C)CC(=O)NNC(=O)Nc1cc(F)cc(F)c1	802000650	WXHIWBQRCVTULX-UHFFFAOYSA-N	300.309	1.459	50	20	DDGD	
Cc1nscc1C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802122559	STIMLKNPKFLZTK-UHFFFAOYSA-N	319.390	1.984	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802122415	OESYXZPYVJNTDO-LBPRGKRZSA-N	320.393	1.887	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H](C)c2c(F)cncc2F)n1	807554224	DLIKPLNEYFJQCT-ZETCQYMHSA-N	324.291	1.546	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c(C)c1	294109309	FAXVHRIDBLJDDK-ZFWWWQNUSA-N	320.389	1.787	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2ncccc2F)cn1C1CC1	804221353	VZCCMAXCVNNXTC-UHFFFAOYSA-N	302.309	1.783	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H]1CCC[C@H]1N(C)C	807924476	JYKHVMQPNNSQER-CHWSQXEVSA-N	312.845	1.951	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(-n3ccnc3)nn2)ns1	804953604	WRFNVJXHSWHWLI-UHFFFAOYSA-N	301.335	1.184	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)N=c2cc[nH]cc2)c(Cl)c1	802025536	AZOBJSSXZCAXMM-UHFFFAOYSA-N	318.764	1.861	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1ccc2cncn2c1	804953114	BUYYVLWADZISFZ-UHFFFAOYSA-N	320.316	1.067	50	20	DDGD	
C[C@H](Cc1ccc(O)cc1)NC(=O)NNC(=O)[C@H]1CCCCO1	297469602	UPLYMJGVSQQHAY-BXUZGUMPSA-N	321.377	1.223	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCSC1)c1ccc2c(c1)OCCO2	809986852	MOCIYMCZRQOSHR-NSHDSACASA-N	322.386	1.362	50	20	DDGD	
Cc1nnsc1C=NNC(=O)[C@H](C)CN1CCC(C)CC1	814216262	FACLAGSALJCEMG-LLVKDONJSA-N	309.439	1.665	50	20	DDGD	
C=CCc1cc(C(=O)NNc2cnnn2C)cc(OC)c1OC	816769893	AURPMOVYMMTQJE-UHFFFAOYSA-N	317.349	1.318	50	20	DDGD	
CCC(=NNC(=O)C(=O)NC(C)C)c1ccc(Cl)c(N)c1	814777200	QPGHLEKYNRRWJL-UHFFFAOYSA-N	310.785	1.677	50	20	DDGD	
CC(=NNC(=O)c1ccnc(N(C)C)c1)c1cccc(CO)c1	814844054	ASIWGLGHLOXMNA-UHFFFAOYSA-N	312.373	1.794	50	20	DDGD	
C[C@H](CC(=O)NNc1ccc(S(C)(=O)=O)cc1)n1cccn1	819412239	VOJKHXZEEAZKQG-LLVKDONJSA-N	322.390	1.381	50	20	DDGD	
Cn1ccnc(NNC(=O)c2ccc3c(c2)C(C)(C)CO3)c1=O	810470559	VCQIIIHOJFUZSJ-UHFFFAOYSA-N	314.345	1.207	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)COc1cc(C)ccc1C	812445646	VQNRJNIXIFXNMF-ZIAGYGMSSA-N	322.405	1.748	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2cccc(Cl)n2)ccn1	815727436	YEZCHGWIBYSAKX-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
COCCN(C)NC(=O)Cc1cccc(Br)c1C	819744720	AVGLQGLPFSRTDB-UHFFFAOYSA-N	315.211	1.909	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)Cn2nc(C)cc2C)cc1O	811634219	HRYOHWHTAULZQM-UHFFFAOYSA-N	316.361	1.755	50	20	DDGD	
O=C(COc1ccc(Cl)c(F)c1)NNc1ncncc1F	817079048	FZFVICHHIXEWKI-UHFFFAOYSA-N	314.679	1.930	50	20	DDGD	
O=C(NCC[C@@]1(O)C[C@H]2CC[C@H]1C2)NNc1cccc(F)n1	814346974	PNEVMSNPUSBBSF-ZIBATOQPSA-N	308.357	1.788	50	20	DDGD	
CC(=NNC(=O)Cc1cccnc1)c1ccc(-n2cncn2)cc1	728784821	UVBKMLYCCNSSNV-UHFFFAOYSA-N	320.356	1.745	50	20	DDGD	
C[C@@H]1CC[C@H](CCC(=O)NNc2ccc(-c3nn[nH]n3)cc2)O1	824906211	BAOPHAACCDBLQL-ZWNOBZJWSA-N	316.365	1.658	50	20	DDGD	
O=C(O)C1(CNC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)CC1	823329540	QGHGMRIKQMXPAF-MWODSPESSA-N	316.195	1.921	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNC(=O)Cc2c[nH]c3ccccc23)CCN1C	823818663	NPCNUHGWFWTRTK-DGCLKSJQSA-N	314.389	1.198	50	20	DDGD	
CC(C)C[C@H]1COCCN1C(=O)/C(C#N)=C\c1cnn(C)c1	490979925	ZHWOMFMRJXGXFD-GSHXUFRSSA-N	302.378	1.601	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)NCC(Cl)Cl)C2	497035876	GXKZTWDPSKBKDF-YIZRAAEISA-N	307.177	1.549	50	20	DDGD	
C[C@H](C1CC1)N(C)S(=O)(=O)NN(C)C(=O)OC(C)(C)C	495939352	CVSYRYUOWGYEEU-SECBINFHSA-N	307.416	1.333	50	20	DDGD	
COCc1ccccc1CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C	825619641	RQCSTQJWJAESOK-FZMZJTMJSA-N	321.377	1.088	50	20	DDGD	
OB(O)c1ccc(CNC[C@H]2CCCN2C2CCCCC2)cc1	585038876	JMPOBSRGCWTHRB-GOSISDBHSA-N	316.254	1.253	50	20	DDGD	
C[C@@H](CNC(=O)/C(C#N)=C\c1cnn(C)c1)N1CCC[C@@H](C)C1	491100819	BSZQLGIJRIKWRS-LEOYGJCHSA-N	315.421	1.564	50	20	DDGD	
C=CC[C@H]1N(C(=O)c2ccc(B(O)O)cc2)CCCC1(C)C	584981476	GLNRCHVPINZGMJ-OAHLLOKOSA-N	301.195	1.573	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNC(=O)c2cccc3ncccc23)CCN1C	825761696	WZJDGOOWPZWXOD-VXGBXAGGSA-N	312.373	1.336	50	20	DDGD	
CN(C)C[C@H]1CCCCN1C(=O)/C(C#N)=C\c1cnn(C)c1	491159405	IPNCEYOXAMMBJL-CKNOQMABSA-N	301.394	1.270	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2C[C@]23CCc2ccccc23)nc(N)n1	828370836	AQOAKVKULHDKTO-GUYCJALGSA-N	309.373	1.714	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCc2c(O)ncnc2C1	491087702	XPFCQERKZCUUPN-KPKJPENVSA-N	324.315	1.813	50	20	DDGD	
C[C@]1(c2cccs2)C[C@@H]1CNCc1ccc(B(O)O)cc1F	585024525	YSVQMRFMUOHPCV-WBMJQRKESA-N	319.210	1.634	50	20	DDGD	
CCOCC(C)=NNC(=O)C1CCN(c2ncccn2)CC1	728782735	QEPUGLSDEHYLOV-UHFFFAOYSA-N	305.382	1.222	50	20	DDGD	
C[C@]1(C(=O)NCCOC[C@@H]2CCOC2)C[C@H]1Br	906635241	GMMCZUGHBFJPGT-FOGDFJRCSA-N	306.200	1.329	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)Cc1coc2cc3c(cc12)CCC3	823988374	RDWGHRFLOHHINN-NSHDSACASA-N	302.374	1.808	50	20	DDGD	
CC/C(C)=C\C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12	822201614	OMIKSTBIRSWULP-KTKRTIGZSA-N	314.345	1.051	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C/c1ccc(O[C@@H](C)C(=O)OC)cc1	490725786	KUPIOIJJYWYXQI-LQELWAHVSA-N	314.341	1.836	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H]2CCCO[C@H]2c2ccccc2)o1	585018615	NFUWZMCJYDTNOV-YOEHRIQHSA-N	315.178	1.217	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CCCC(=O)N2C)c(F)c1	909546039	SDUIZQCDUPYMJX-LBPRGKRZSA-N	323.324	1.066	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H]2CCC[C@H]2c2ccccc2)nc1O	824050254	BQCJELDTXNTKTD-STQMWFEESA-N	313.361	1.913	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cc2[nH]ccc2cc1C	495553839	GOVPUFGHEMFYQA-UHFFFAOYSA-N	304.306	1.192	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)CCc1ccon1	824693848	JHZHLSRJRANRQC-UHFFFAOYSA-N	303.318	1.224	50	20	DDGD	
C[C@@H]1[C@@H](NCc2cccc(B(O)O)c2)CCN1Cc1ccccc1	585041644	RQZAUWIXSOLTHF-BEFAXECRSA-N	324.233	1.119	50	20	DDGD	
O=C(NN[C@@H](C(=O)O)c1cccc(Cl)c1)c1cnccn1	739453068	BSWGIANEGOAISG-LLVKDONJSA-N	306.709	1.190	50	20	DDGD	
CC(C)C[C@@H](C)NC(=O)NNC(=O)CNC(=O)OC(C)(C)C	494741871	HTEMAQKARPVUBQ-SNVBAGLBSA-N	316.402	1.276	50	20	DDGD	
CCNC(=O)c1ccc(C)c(NC(=O)NNC(=O)OCC)c1	494659056	LNWKHMAYFFSUGD-UHFFFAOYSA-N	308.338	1.527	50	20	DDGD	
CS(=O)(=O)/C(C#N)=C\c1ccc(N2CCC(O)CC2)cc1	905070964	OQXSTBIAOGLLSF-GDNBJRDFSA-N	306.387	1.557	50	20	DDGD	
CSCCCCCCNC(=O)NNC(=O)[C@@H]1CCCCO1	836395013	XMEGZDSNFHFORT-LBPRGKRZSA-N	317.455	1.809	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=C(C)c2cn(C)nn2)o1	834950735	UXFRTPDYCNBAHI-UHFFFAOYSA-N	318.381	1.404	50	20	DDGD	
CCc1ocnc1C(=O)NNc1nc(-c2cccnc2)no1	739722268	QNZASCZYQSEDQI-UHFFFAOYSA-N	300.278	1.439	50	20	DDGD	
O=C(NCB(O)O)c1cccc(OCc2cccc(Cl)c2)c1	585061805	HMSUBHJALUCPFY-UHFFFAOYSA-N	319.553	1.661	50	20	DDGD	
O=S(=O)(CCl)N1CCOC[C@H]1C[C@H](O)c1ccccc1	830872477	IVLFNIXFZJAGBF-OLZOCXBDSA-N	319.810	1.337	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN(C)[C@@H](C)C1CC1	839464991	SPJWJTCKNVIWMP-ZDUSSCGKSA-N	303.406	1.415	50	20	DDGD	
CCCN(CC)Cc1ccc(C(=O)N2CC[C@H](B(O)O)C2)cc1	585069194	JDTIMKKSXCMFCV-INIZCTEOSA-N	318.226	1.607	50	20	DDGD	
OB(O)c1ccccc1CNC1CCN(c2ccccc2)CC1	585017892	BORBTUYBWFTTIX-UHFFFAOYSA-N	310.206	1.125	50	20	DDGD	
Cc1cnc(NC(=O)NNC(=O)COc2ccccc2O)s1	730818095	CTAFGOMMUZJHCD-UHFFFAOYSA-N	322.346	1.389	50	20	DDGD	
OB(O)c1cccc(-c2noc([C@H]3CCCC(F)(F)C3)n2)c1	585051825	FDPVTTYHWUUDJO-JTQLQIEISA-N	308.093	1.709	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N2CCOCC2)c(Cl)c1	731004762	HNXBKKSLRSGNIL-UHFFFAOYSA-N	313.741	1.035	50	20	DDGD	
C[C@@H](C=NNC(=O)CN1CCCC1=O)c1cc(F)cc(F)c1	834931212	CBPMELUGCAIHQZ-JTQLQIEISA-N	309.316	1.793	50	20	DDGD	
CCOc1cc(C=NNC(=O)CCN(CC)CC)ccc1O	916355814	YTZRHOBRIHQJSS-UHFFFAOYSA-N	307.394	1.973	50	20	DDGD	
C[C@]1(NCC(=O)NNC(=O)C2CC2)CCCc2ccccc21	733198440	GSODPKHRZJDLBS-KRWDZBQOSA-N	301.390	1.385	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(C)c1	831417536	VIGSFPKCWCLBAK-JQWIXIFHSA-N	307.350	1.581	50	20	DDGD	
CCS(=O)(=O)N[C@@H](C)C(=O)NNc1ccccc1Cl	830786296	MHGQPZLPAVWWDT-QMMMGPOBSA-N	305.787	1.111	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@@H](O)C(C)(C)C)c1C	735839099	YPUBDSVJQQXISM-GXTWGEPZSA-N	322.405	1.625	50	20	DDGD	
C[C@@H]1CC[C@@H](CNC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)O1	838739216	JGNCLMAWFMHQEJ-SKDRFNHKSA-N	322.321	1.106	50	20	DDGD	
Cc1ccccc1-n1cc(C(=O)NNC(=O)CC(C)(C)C)nn1	839651980	KYXDXUXCSDGZMP-UHFFFAOYSA-N	315.377	1.773	50	20	DDGD	
CC[C@@H](CC(=O)NNC(=O)CN1CCCC1=O)c1ccccc1	913730659	DLLPWNRPWKGAMZ-ZDUSSCGKSA-N	317.389	1.340	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)CCCF	831477939	ULMUPRBOFRARSB-UHFFFAOYSA-N	305.350	1.188	50	20	DDGD	
C[C@@H](C(=O)NNc1ccnc(N(C)C)n1)N1CCCCCC1	743485310	YXMAKMFXCUFQKY-LBPRGKRZSA-N	306.414	1.250	50	20	DDGD	
COc1nccnc1NNC(=O)C[C@@](C)(O)c1ccccc1	840571763	MJOIKDFHWQCIIC-OAHLLOKOSA-N	302.334	1.226	50	20	DDGD	
CCNCCCNC(=O)NNC(=O)Cc1c[nH]c2ccccc12	841917139	AIHAOWMLFKGAEK-UHFFFAOYSA-N	317.393	1.040	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(C(=O)N(C)C)cc1F	841768309	CLAOMLCMBVIYBP-VIFPVBQESA-N	324.356	1.726	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)[C@@H](C)CN1CCC(C)CC1	749754508	AENOAPLRVYJAHF-STQMWFEESA-N	314.499	1.648	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC(n2ccnc2)C1	746264322	DQYPLJCMJROFPZ-UHFFFAOYSA-N	307.785	1.632	50	20	DDGD	
Cc1nc(O)[nH]c1C(=O)NNc1ncnc(Cl)c1C(C)C	848225804	KEXHGJRYRXCXRK-UHFFFAOYSA-N	310.745	1.747	50	20	DDGD	
O=C(Cn1nnc2c1CCCC2)NNc1cccnc1Cl	848221466	CVTNJWQSMFZNHP-UHFFFAOYSA-N	306.757	1.349	50	20	DDGD	
CC[C@H]1COC(C)(C)CN1[C@@H](C)C(=O)NNC(=O)CC(C)C	844384827	HTBDGOLKTCGBLM-STQMWFEESA-N	313.442	1.458	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1ccc2c(c1)CCCN2	841302560	UHAPYFAVMVCLFO-UHFFFAOYSA-N	313.361	1.850	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cccc(CN2CCCCC2)c1	910146901	MYMPEWFTFKFYQS-AWEZNQCLSA-N	305.422	1.630	50	20	DDGD	
COc1cccc2[nH]c(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)cc12	911502963	ONCCCFPGDQNVFS-UWVGGRQHSA-N	317.345	1.363	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNc1ccncn1)C(=O)OC(C)(C)C	848667690	KJUBHAZJYLLVKE-NSHDSACASA-N	323.397	1.717	50	20	DDGD	
COc1cc(Br)cc(C=NNC(=O)N(C)C)c1O	745605530	SNECWSKHPVBASH-UHFFFAOYSA-N	316.155	1.768	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCc1ccccc1Cl	843649260	UGUIXGYUHLVHKU-ZYHUDNBSSA-N	310.781	1.845	50	20	DDGD	
CC[C@H](Oc1ccccc1C)C(=O)NNc1nnc(C)c(O)n1	749523502	CCZFXWOMLPYWFB-NSHDSACASA-N	317.349	1.495	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)nn1	847443802	DWRQXKURTDAXRA-OLZOCXBDSA-N	304.398	1.428	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(Cl)nc(C2CC2)c1	847099517	QYRZDNVJDKUBFW-GZMMTYOYSA-N	323.780	1.798	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC12CCCC2)c1cccc([N+](=O)[O-])c1	747293610	KERJPMLRTDVKDL-LBPRGKRZSA-N	303.318	1.936	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)COc1ccc(Br)cc1	910183396	QFPPWIONWBWTSS-VIFPVBQESA-N	317.183	1.172	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@@H](c2ccccc2)N(C)C)n1	740112885	SRAGJMPVJJNXFM-CQSZACIVSA-N	314.393	1.289	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)CC(F)(F)F)C1CCOCC1	746426114	MDLTZKHEBDJJKJ-SECBINFHSA-N	311.304	1.474	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=S)NC2(C)CCC2)cc1	840703421	MPSQXDVHKCYBOU-UHFFFAOYSA-N	322.434	1.545	50	20	DDGD	
CC(C)(C)CNC(=O)NNc1ncc(Br)cn1	847296485	JGIWPRBFYKWEMZ-UHFFFAOYSA-N	302.176	1.911	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ncncc1F)C(=O)OC(C)(C)C	848666776	CYFHIUGGYZCFLE-QMMMGPOBSA-N	313.333	1.220	50	20	DDGD	
O=C(COC(=O)[C@@H]1CC12CCCC2)NNC(=O)c1cccs1	747727439	MPUSLJTUGFQAMF-JTQLQIEISA-N	322.386	1.633	50	20	DDGD	
O=C(NNc1ccccc1)[C@@]1(O)CCN(Cc2ccccc2)C1	747989105	OHUCIBMQRHPBMP-GOSISDBHSA-N	311.385	1.767	50	20	DDGD	
C[C@@H](C(=O)NNc1nc2ccccn2n1)C(=O)OC(C)(C)C	840439162	DIHQBGVVABKSBY-VIFPVBQESA-N	305.338	1.150	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)Cc2cc(C)[nH]n2)cc1	846373850	GDHPOTUCKFNCQA-UHFFFAOYSA-N	302.334	1.119	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COc2ccc(F)cc2)c1O	920602503	JILBQUMVVWAPJU-UHFFFAOYSA-N	318.304	1.680	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cccn2C)cc1OC	755374102	PTQHUVGQYVVUBT-UHFFFAOYSA-N	318.333	1.509	50	20	DDGD	
CCOCCOCCCC(=O)NNC(=O)c1ccc(C)cc1O	857007713	SSTZFMJKCJHBPS-UHFFFAOYSA-N	324.377	1.295	50	20	DDGD	
CC(C)C1(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)COC1	929295629	JNTRNHCJLYTUCU-UHFFFAOYSA-N	315.373	1.530	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)C(C)(C)c2ccccc2)co1	753484630	AORFCCTVKQAWSZ-UHFFFAOYSA-N	301.346	1.976	50	20	DDGD	
C[C@@]1(CNC(=O)NOCc2cccnc2)C[C@@H]1Br	856843961	SGOVKLGUOVMTEM-JQWIXIFHSA-N	314.183	1.986	50	20	DDGD	
CC(C)Nc1ccc(C(=O)NNC(=S)N[C@H](C)C2CC2)cn1	855096925	FSXTVVYVYSUCFN-SNVBAGLBSA-N	321.450	1.809	50	20	DDGD	
Cc1cccc(NC(=O)NCC(=O)NCCCSC#N)c1	854362897	GQQDRHLUYCFOFS-UHFFFAOYSA-N	306.391	1.837	50	20	DDGD	
C[C@@H]1C(=O)CCCN1C(=O)NC[C@]1(C)C[C@@H]1Br	923374395	SWISSOUJXRSVDI-QRTLGDNMSA-N	303.200	1.923	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCC(=O)N1CCCC1	750665721	CZNSQSSNJARSIQ-UKTHLTGXSA-N	300.314	1.465	50	20	DDGD	
COC1CCC(CC(=O)NNC(=O)OCC(F)(F)F)CC1	856021750	LPFLUZMOSYPZQR-UHFFFAOYSA-N	312.288	1.901	50	20	DDGD	
CCOC(=O)N1CCC(C)(C=NNC(=O)c2cccn2C)CC1	853284230	UTHIARXYQTYHAH-UHFFFAOYSA-N	320.393	1.999	50	20	DDGD	
Cc1cc(NNC(=O)Cn2cc([C@H](C)O)nn2)ccc1Cl	928341373	YNOQTYBKKGTGLR-VIFPVBQESA-N	309.757	1.437	50	20	DDGD	
C=C[C@@H](CC)CC(=O)NNC(=O)Cc1nc2ccccc2n1C	929268832	SBAHOFVNSSKNKX-LBPRGKRZSA-N	314.389	1.866	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1nc2c(s1)CCCC2	926443610	CMLMSYPTNXWBSW-UHFFFAOYSA-N	310.423	1.898	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1ccc2c(c1)C(=O)NCC2	756617219	NNIXRWMTZFWSOK-UHFFFAOYSA-N	318.377	1.561	50	20	DDGD	
CC(C)(O)[C@@H](Oc1ccccc1)C(=O)NCCCSC#N	854360055	GCFZNLQTPJDYKT-ZDUSSCGKSA-N	308.403	1.925	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@@]1(c2ccccc2)CC1(C)C	852772109	GPLLXQKYNHIXNF-QGZVFWFLSA-N	303.406	1.705	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2cccc(C#N)c2)c(C)nn1	759068413	HXBVKPHORJKVKJ-UHFFFAOYSA-N	309.329	1.294	50	20	DDGD	
COc1ccccc1C[C@@H](C)CC(=O)NNc1cnnn1C	857271784	ZCGYRWHUMPPMEU-LLVKDONJSA-N	303.366	1.536	50	20	DDGD	
Cc1ccc(CC(=O)NNc2ccccc2S(C)(=O)=O)o1	754079543	JORFXNUQFMXTMN-UHFFFAOYSA-N	308.359	1.677	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC(OCC(F)F)C1	754358919	KBPIBKJRCJFBKD-UHFFFAOYSA-N	321.755	1.845	50	20	DDGD	
N#CSCCCNC(=O)CSc1nnc(S)s1	854361997	VYYSMVATWHZRIJ-UHFFFAOYSA-N	306.463	1.639	50	20	DDGD	
Cc1ccnc(NNC(=O)c2cncc(N3CCOCC3)c2)c1	757901851	YDNGDXYIMJDLKM-UHFFFAOYSA-N	313.361	1.379	50	20	DDGD	
C[C@H](C(=O)OC[C@@H](CBr)C1CC1)S(C)(=O)=O	859510795	ZNERRPDBQVMTFZ-VXNVDRBHSA-N	313.213	1.384	50	20	DDGD	
C[C@@H]1C[C@H](O)CN(C(=O)NC[C@]2(C)C[C@@H]2Br)C1	856960148	LWJAIADITMUPEL-WDCWCFNPSA-N	305.216	1.572	50	20	DDGD	
CN(C)C(=O)C1CCC(C(=O)NNC(=O)CC2CCCC2)CC1	857093651	WYTGDARJBXVRRX-UHFFFAOYSA-N	323.437	1.609	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=c2cc[nH]c(C)c2)n1	862508840	YKKMZZYMJJGOTC-UHFFFAOYSA-N	303.391	1.454	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1	861293368	DLJOHZJDTSHTDS-OAHLLOKOSA-N	324.384	1.995	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cn(C3CC3)nn2)c1	860682874	GUDBLTQJNDQISU-UHFFFAOYSA-N	301.306	1.157	50	20	DDGD	
CCc1noc(C)c1C(=O)NNc1ccccc1S(C)(=O)=O	766663689	UMNMJOASJJZODB-UHFFFAOYSA-N	323.374	1.706	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)CNc1ccc(OC)cc1)C1CC1	863853843	RBOJYVWOPMBXRR-OAHLLOKOSA-N	321.377	1.070	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNCC(F)(F)C(F)(F)F)CCC1=O	863098037	YEAHROIQDLMKAJ-RQJHMYQMSA-N	302.243	1.810	50	20	DDGD	
CN(C)N(C(=O)CC1CCSCC1)[C@H]1CCS(=O)(=O)C1	762270137	SPZUATHLLVNNGN-LBPRGKRZSA-N	320.480	1.012	50	20	DDGD	
COCCCn1cc(C(=O)NNC(=O)CC2CCCC2)cn1	863863138	ALOAJZDNRALFEB-UHFFFAOYSA-N	308.382	1.261	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc(C#N)s1	769766584	WYDHUFLSHZQZNL-UHFFFAOYSA-N	300.434	1.092	50	20	DDGD	
COc1nccnc1NNC(=O)c1cccc(C[S@](C)=O)c1	764460795	ODYXCJXXSSADHU-QFIPXVFZSA-N	320.374	1.121	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2	763441092	QZHQRMJRCZWPOT-UHFFFAOYSA-N	323.352	1.754	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ncc2n1CCCC2	869216732	BRNTUFXRJNAKKR-UHFFFAOYSA-N	307.423	1.128	50	20	DDGD	
COCCOc1ccc(SCC(=O)NNC(=O)C2CC2)cc1	769846856	QQRUBCWVNRVPRB-UHFFFAOYSA-N	324.402	1.361	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccc(O)c(F)c2)cc1	767296452	PRPXUVPJKWKGKV-UHFFFAOYSA-N	318.304	1.680	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NN[C@H](C)C(F)(F)F)C1	862312388	KYGKNGSETUKQGA-HBNTYKKESA-N	323.359	1.843	50	20	DDGD	
CCNC(=O)N(C)N=Cc1ccc(OCC(=O)O)c([N+](=O)[O-])c1	769592105	MGPPXFOBAKQFOK-UHFFFAOYSA-N	324.293	1.053	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccn1C)c1cccc([N+](=O)[O-])c1	761421435	REYLEHIRHHBAPE-JTQLQIEISA-N	316.317	1.498	50	20	DDGD	
CCCCCC(=O)OCC(=O)NNC(=O)Cc1ccccc1C	767245963	GCOPJGZZNRMNEW-UHFFFAOYSA-N	320.389	1.808	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1)c1cn[nH]c1	862466088	FBZGSIYZJXDWLS-DZGCQCFKSA-N	312.373	1.830	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccc2c(c1)C(=O)NCC2	765181681	MAJDFUHROJWOPM-UHFFFAOYSA-N	320.349	1.534	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc2ccncc12	764086892	XAPNVUVZZFEUHA-SNVBAGLBSA-N	314.345	1.367	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)COC(=O)C1CCCC1	767253902	FZJGTJGJIRYVQZ-UHFFFAOYSA-N	318.373	1.418	50	20	DDGD	
Cn1ccc(CCNC(=O)[C@@H](Br)C(C)(C)C)n1	768450082	UNGTWDARTAIHOP-SNVBAGLBSA-N	302.216	1.888	50	20	DDGD	
COC(=O)C(=O)NN=C1C[C@H](C)CN(Cc2ccccc2)C1	1116634849	LSFIIPMPDKPMFX-LBPRGKRZSA-N	303.362	1.174	50	20	DDGD	
COc1ccc(CC(=O)NNc2nccnc2C(C)C)cc1O	867851625	WMZQAHLNZJIIJJ-UHFFFAOYSA-N	316.361	2.000	50	20	DDGD	
Cc1cc(C(=O)NN=C2CCCc3oc(C(=O)O)c(C)c32)n[nH]1	764797360	PMYDWMNXXKOXPF-UHFFFAOYSA-N	316.317	1.788	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccnc(-n2cncn2)c1	768504594	LYUVWJXTULNATH-UHFFFAOYSA-N	320.316	1.296	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2ccc(Cl)cn2)nc1	773597966	PDSYZBWBKYZFIS-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
CC1(C(=O)NNC(=O)Cc2ccc(F)cc2)CC(F)(F)C1	873809242	ZJMVPBFUPPYDOV-UHFFFAOYSA-N	300.280	1.951	50	20	DDGD	
CS(=O)(=O)Cc1ccc(NC(=O)NNc2ccccn2)cc1	779043268	WLRKCSDAXIHSQV-UHFFFAOYSA-N	320.374	1.775	50	20	DDGD	
Cc1c(NNC(=O)NCCc2cnccn2)cccc1[N+](=O)[O-]	775455688	SRKRWTGRQZKLMB-UHFFFAOYSA-N	316.321	1.562	50	20	DDGD	
CCc1cc(NC(=O)NNC(=O)C2CCOCC2)ccc1F	879538374	XDKDKOVJNGSHHK-UHFFFAOYSA-N	309.341	1.967	50	20	DDGD	
CCc1cc(C(=O)NNc2cccc(F)c2C(=O)OC)n[nH]1	773638017	JCMXBSATOGFUPD-UHFFFAOYSA-N	306.297	1.655	50	20	DDGD	
C[C@]1(CNC(=O)N2C[C@H]3CC[C@H]2[C@H](O)C3)C[C@@H]1Br	1119299563	TUMZBNHQKKOTMB-XPORZQOISA-N	317.227	1.715	50	20	DDGD	
O=C(C[C@@H](O)c1ccc(Cl)cc1)NNc1ncc(F)cn1	772838233	TYCOKWIKPPYJBC-LLVKDONJSA-N	310.716	1.836	50	20	DDGD	
CCCn1cc(C=NNC(=O)CCc2ccccc2O)nn1	872350422	RWEPPNPXNFUVAM-UHFFFAOYSA-N	301.350	1.477	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)C2CCC=CCC2)cc1	873778013	JQMFLGZHFYDYHP-UHFFFAOYSA-N	313.357	1.831	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H](C)OC[C@@H]1CCCO1	777773145	UGGQJSYQRHIXIP-NEPJUHHUSA-N	322.361	1.500	50	20	DDGD	
CCC1(CC)[C@H](NC(=O)NNC(=O)C2CCC2)[C@H](C)[C@H]1OC	770837781	VYLDARVMBJIXDD-CYZMBNFOSA-N	311.426	1.957	50	20	DDGD	
COC(=O)c1cnc(C(=O)NNc2cccc(Cl)c2)cn1	779652479	HUTYSTCPVWGSDV-UHFFFAOYSA-N	306.709	1.674	50	20	DDGD	
C[C@H](NS(=O)(=O)CCCCl)[C@H](O)c1ccc(F)cc1	881921745	CKGSEWGYVPALOG-CABZTGNLSA-N	309.790	1.796	50	20	DDGD	
O=S(=O)(CCCCl)N1CCC[C@H](N2CCOCC2)CC1	882336928	OBRDCYHHEYWVSL-ZDUSSCGKSA-N	324.874	1.132	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2ncccc2Cl)n(C)n1	784819444	RKDDJPPRLWJHRM-UHFFFAOYSA-N	322.756	1.113	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cc(F)ccc1N(C)C	880939312	QMNDYVKMKOUCSF-MWLCHTKSSA-N	324.356	1.469	50	20	DDGD	
O=C(CC1CC(c2ccccc2)C1)NNC(=O)c1cccnn1	882060794	ZQSMRMIDXNOELA-UHFFFAOYSA-N	310.357	1.822	50	20	DDGD	
Cc1nc(C(=O)NNc2nnc(-c3ccccn3)s2)co1	788558634	RZMSIPGOJRGGJE-UHFFFAOYSA-N	302.319	1.653	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cn2cc(C(C)(C)C)nn2)c1	880993410	YGYPUOMWCFPLFZ-UHFFFAOYSA-N	315.377	1.345	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1ccccc1CC	785831051	GAFOPIBOOGHBQV-LLVKDONJSA-N	306.362	1.281	50	20	DDGD	
COc1ccc([C@H](NC(C)C)C(=O)NNC(=O)CC(C)C)cc1	895523818	DVDQSNBCJJDXRX-INIZCTEOSA-N	321.421	1.928	50	20	DDGD	
N#Cc1cccc(-c2cc(C(=O)NNc3ncccn3)on2)c1	789891000	OCRRQNPWGFTFFP-UHFFFAOYSA-N	306.285	1.760	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(Cn3cncn3)cc2)nc1	781527128	AGNLWFXDIUVDIH-UHFFFAOYSA-N	324.344	1.487	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cnn3ccccc23)c1	780796767	JKBKCKUDGOLGGD-UHFFFAOYSA-N	310.313	1.878	50	20	DDGD	
COCCn1ccc(C(=O)OC[C@@H](C)CBr)n1	784306714	BFNLNBRDKPYWQM-VIFPVBQESA-N	305.172	1.717	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCC(=O)NC(=O)Nc1ccccc1	786680012	UGVZONXIZNVDHG-WQLSENKSSA-N	313.313	1.738	50	20	DDGD	
Cc1ccnc(NNC(=O)c2cn(C)nc2-c2cnn(C)c2)c1	781952683	UAPYTOFPLLUMEG-UHFFFAOYSA-N	311.349	1.281	50	20	DDGD	
C[C@@H]1CC[C@H](CNC(=O)NNC(=O)c2cccc(C#N)c2)C1	792897659	DKKOHQSQBTYBSF-YPMHNXCESA-N	300.362	1.938	50	20	DDGD	
COc1cc(OC2CC2)ccc1C(=O)NNc1ncc(F)cn1	790827380	ISYINVZDAQNBGF-UHFFFAOYSA-N	318.308	1.922	50	20	DDGD	
C[C@H](Oc1ccc(C=O)cc1)C(=O)NNC(=O)C1CCCC1	795185061	LBAGDNCVROTXJU-NSHDSACASA-N	304.346	1.604	50	20	DDGD	
Cc1nc2c(C(=O)NNC(=O)c3ccccc3O)cccc2o1	792629490	PXSRSKDADLMWNB-UHFFFAOYSA-N	311.297	1.917	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@H]1CCC(F)(F)C1	795244749	URSBCGQSKOJIAM-MRVPVSSYSA-N	321.324	1.094	50	20	DDGD	
CC(C)(C(=O)NNC(=O)Cn1cnc2ccccc21)C(F)F	792017677	MCXNWDAGGJTNAT-UHFFFAOYSA-N	310.304	1.475	50	20	DDGD	
Cn1c(NNC(=O)C2CC(C)(C)C2)nc2ccccc2c1=O	796443457	WVMAUXOYQOLCSB-UHFFFAOYSA-N	300.362	1.813	50	20	DDGD	
CN(C)c1ccc(C(=O)NNc2nncc(N)c2Cl)cc1F	1319207607	GUSNAKUKWVIWCQ-UHFFFAOYSA-N	324.747	1.674	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)NC(C)C)ccc1-n1cncn1	1318762425	UXUQVVYIQRCTDF-UHFFFAOYSA-N	318.406	1.093	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(F)c(F)c1	1320353097	XRAJWZFBRKAWOI-MRVPVSSYSA-N	317.361	1.636	50	20	DDGD	
CC(C)(C)OC(=O)CCCC(=O)NNC(=O)NC1CCCC1	1329543082	VSEDBSUFDTVLJD-UHFFFAOYSA-N	313.398	1.771	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)N2CCC=C(F)C2)C[C@H]1Br	1261769593	BPRCUUWAFJYNRL-SKDRFNHKSA-N	319.174	1.362	50	20	DDGD	
COC/C(C)=C\C(=O)NNc1cncc(Br)c1	1346194221	MCNATZACCZWWQO-BAQGIRSFSA-N	300.156	1.880	50	20	DDGD	
O=C(CCO)NN=C1CCc2sc(Br)cc21	1343882901	WJGJWCXZBJVRTR-UHFFFAOYSA-N	303.181	1.660	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=S)Nc2ccccc2)n1	16316479	HBXPPNRWKHGUGQ-UHFFFAOYSA-N	303.391	1.518	50	20	DDGD	
N#Cc1ccc(NNC(=O)Cn2cc(C(=O)O)cn2)cc1Cl	1608208570	FUJNCXVBQJWZNT-UHFFFAOYSA-N	319.708	1.250	50	20	DDGD	
O=C(NCC1(c2ccc(F)cc2)CCCC1)NNC(=O)C(=O)O	1601477066	DNDKPPRGKOCLSP-UHFFFAOYSA-N	323.324	1.053	50	20	DDGD	
CN1CCC[C@@H](CCNC(=O)NNc2cccc(C(=O)O)c2)C1	1606222933	KLYQPNLGYZDAJW-LBPRGKRZSA-N	320.393	1.743	50	20	DDGD	
Cc1cc(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)n(C)n1	1605712885	BYFROKIHBCHKHT-UHFFFAOYSA-N	313.325	1.057	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)NC(C)C)[nH]c(C)c1C(=O)O	1609984449	SSEPSYFIHCPHNV-UHFFFAOYSA-N	310.354	1.326	50	20	DDGD	
Cc1c(NC(=O)NNc2ncccn2)ccc(F)c1C(=O)O	1600044617	REROVDGQZLKPCW-UHFFFAOYSA-N	305.269	1.771	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)NCCCN2CCCC2)cc1	1602128496	WCQKXXOQGLVTBR-UHFFFAOYSA-N	320.393	1.426	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2N)cn1	1600944576	AYLQRCQSRHTQFM-BJMVGYQFSA-N	311.301	1.246	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1cccc(F)c1OC(F)(F)F	1602072056	LSCLTLSXJWOHJZ-UHFFFAOYSA-N	323.202	1.442	50	20	DDGD	
Cc1cc(CNC(=O)NNc2ccc(C(=O)O)cc2F)on1	1600202238	ZYIXTSUQGPKXCB-UHFFFAOYSA-N	308.269	1.647	50	20	DDGD	
O=C(O)/C=C\c1cc(C(=O)NNC(=O)NC2CCCCC2)co1	1606063876	FCXXIYDOTIZDMP-SREVYHEPSA-N	321.333	1.654	50	20	DDGD	
CCn1cc(CNC(=O)NNc2ccc(F)c(C(=O)O)c2)cn1	1605921581	AGLTXRAUKLIMNQ-UHFFFAOYSA-N	321.312	1.567	50	20	DDGD	
Cc1cc(C=NNC(=O)C(F)F)cc(C)c1OCC(=O)O	1610457907	PCAGZFMBERGKFS-UHFFFAOYSA-N	300.261	1.482	50	20	DDGD	
CCOCCONC(=O)NNc1ccc(C(=O)O)cc1F	1610036514	BWGKXZYIPDADNU-UHFFFAOYSA-N	301.274	1.118	50	20	DDGD	
C[C@H](C=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1ccccc1	1549312132	APGKPATUAPKCJR-VNQPRFMTSA-N	301.390	1.755	50	20	DDGD	
CC1(C)CN(C(=O)C2CCC(Cl)CC2)CCS1(=O)=O	1548667091	XCIOYAHLDQFZGZ-UHFFFAOYSA-N	307.843	1.820	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@@H]2C=NNC(=O)[C@H]2CCCOC2)cn1	1552452262	DGSFAUWAWAGNNY-VNHYZAJKSA-N	320.393	1.509	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc([C@@H](C)N)cc1)C1CC1	1576164795	NLSOKVSTRSGERP-ZJUUUORDSA-N	306.435	1.614	50	20	DDGD	
O=C(/C=C\c1cncc(F)c1)NNc1ncccc1C(=O)O	1574515627	MMVGXFICPBIBED-ARJAWSKDSA-N	302.265	1.470	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=O)[C@H]2CCCNC2)c(O)c1	1575851191	NOGREOMLFGXHSE-LBPRGKRZSA-N	305.378	1.276	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@H]1CCC[C@@H](N)C1)c1ccccc1	1575092104	COUUNWYIYRPFQY-GXTWGEPZSA-N	303.406	1.629	50	20	DDGD	
N[C@@H]1CC[C@H](CC(=O)NNC(=O)c2cc3c(s2)CCC3)C1	1580387804	WWYGHTMTSKISAJ-GXSJLCMTSA-N	307.419	1.515	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(Cl)c(C(=O)O)c1	1588435504	SQIZVIPRIGLPRF-UHFFFAOYSA-N	323.736	1.994	50	20	DDGD	
C#CCSCCNC(=O)NNc1ccc(C(=O)O)cc1F	1588506519	VBRRUJWGPVBBLD-UHFFFAOYSA-N	311.338	1.516	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2nccn2C)C1	1842512749	BNVCNLRITRPGKJ-LLVKDONJSA-N	324.812	1.255	50	20	DDGD	
O=C(/C=C/[C@H]1CCCO1)NNc1ccc(-c2nn[nH]n2)cc1	1592796407	UVLUSWONJRSJMK-ABZNLYFFSA-N	300.322	1.045	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@](C)(CCF)C(=O)O	1590701761	QYCVASXTHVZXRL-SNVBAGLBSA-N	303.783	1.374	50	20	DDGD	
CC(C)O[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843364279	AQQHLBXMUCHVHM-WDEREUQCSA-N	320.792	1.538	50	20	DDGD	
CC(C)NCCC(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843363092	QEMVOXKUPKYOTP-GFCCVEGCSA-N	319.808	1.112	50	20	DDGD	
CO[C@]1(CNC(=O)NNc2cccc(C(=O)O)c2C)CCOC1	1599089101	BOPWLLKSVWPLOK-HNNXBMFYSA-N	323.349	1.125	50	20	DDGD	
COc1c(NC(=O)NN=c2cc[nH]cc2)cccc1C(=O)O	1599339891	YIXMVECXPZDELC-UHFFFAOYSA-N	302.290	1.359	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NN=Cc1ccc(C(=O)O)cc1OC	1776102578	SWBLJKXRLSZDSD-AAEUAGOBSA-N	306.318	1.269	50	20	DDGD	
CC[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](Cl)CC)C2	1792979241	JQLLNFWMFKTOBR-NZEXEKPDSA-N	316.829	1.413	50	20	DDGD	
O=C(NNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccccc1	158418897	OGCCQXPBLPUKMW-UHFFFAOYSA-N	303.249	1.809	50	20	DDGD	
COCC(=O)N[C@H](C(=O)NNc1cc(C)cc(C)c1)C(C)C	158662798	CRMACOORZQGFTA-HNNXBMFYSA-N	307.394	1.534	50	20	DDGD	
Cc1onc(-c2ccncc2)c1C(=O)NNC(=O)C(C)(C)C	151953775	QXJUQOWLAPAXCT-UHFFFAOYSA-N	302.334	1.852	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccccc1N1CCCCC1	155507197	FGCHUZRIFKFJFA-UHFFFAOYSA-N	306.366	1.212	50	20	DDGD	
COc1ccc(C(F)(F)C(=O)NNC(=O)c2ccncc2)cc1	157194258	XDYXNPVHNOGYFY-UHFFFAOYSA-N	321.283	1.643	50	20	DDGD	
Cc1[nH]c2ccccc2c1CC(=O)NNc1ncnc2nc[nH]c12	156301735	WGJFKWMQKIMNCG-UHFFFAOYSA-N	321.344	1.828	50	20	DDGD	
CCc1cnc(CNC(=O)NNc2ccc(OC)cn2)s1	157441605	RYEBBFBOQMTMQZ-UHFFFAOYSA-N	307.379	1.935	50	20	DDGD	
CC(C)(CCl)C(=O)N1CCn2nc(Br)nc2C1	536955127	UAUKDRNTWQAOHA-UHFFFAOYSA-N	321.606	1.648	50	20	DDGD	
O=C(O)c1ccc(CS(=O)(=O)NCC(Cl)Cl)cc1	310682091	LEKVPSNJEQJVGH-UHFFFAOYSA-N	312.174	1.608	50	20	DDGD	
CCOC(=O)CN(Cc1ccccc1)S(=O)(=O)CCl	830227217	COLVRLLXZIQHQV-UHFFFAOYSA-N	305.783	1.578	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CCCc1ccccn1	109698497	BHAQTMVUYUPXKG-UHFFFAOYSA-N	313.357	1.874	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2ccc(C#N)cn2)c1	107535123	APGJKHMYHUIAGA-UHFFFAOYSA-N	310.313	1.102	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)CNc2ccc(C)cc2)[nH]n1	102890550	AEYTWHKALSPUOY-UHFFFAOYSA-N	301.350	1.154	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccc(Cl)cc1F	175805000	SKLHBQHAFGUFPK-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
COc1ccccc1[C@@H](C)CC(=O)NNC(=O)c1cccn1C	103064514	KOLGVQDHWNCHSL-LBPRGKRZSA-N	315.373	1.989	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ncoc1-c1ccccc1	112013672	SPOIYAWNJZYZTK-UHFFFAOYSA-N	322.324	1.740	50	20	DDGD	
Cc1[nH]ccc1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	174963676	KPBJLIIVGHEWCO-SNVBAGLBSA-N	305.309	1.691	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)Cc2cccnc2)c1	103504498	JVNPQBQEKOECCR-UHFFFAOYSA-N	300.318	1.486	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)COc1ccc(C#N)cc1)C1CC1	67985206	UTDFRNAPBKUCQK-NSHDSACASA-N	301.346	1.521	50	20	DDGD	
CCN1CCC[C@@H]1CNC(=O)NNC(=O)c1ccccc1OC	175379503	RJLGOXVTOLQSND-GFCCVEGCSA-N	320.393	1.124	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc(N2CCCC2)nc1	176952092	ZUGMKYKHRUQTNN-PTNGSMBKSA-N	314.389	1.741	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(CCO)Cc1ccccc1	111201166	FLVISCQRQPHAGN-AWEZNQCLSA-N	321.421	1.063	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC(C)C)c(C)n1-c1nccs1	119522227	XBKYLTZDFNZFKN-UHFFFAOYSA-N	321.406	1.903	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)CCOC(C)C)s1	176466384	MDOBXCHDFZWSNZ-UHFFFAOYSA-N	306.409	1.046	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(C)c(C(=O)OC)c1	1341376497	RBDUGJFYFXLXJA-UHFFFAOYSA-N	317.345	1.738	50	20	DDGD	
Cc1cc(C)cc(CCC(=O)NNC(=O)N2CCOCC2)c1	178280610	MDGACARKDCGUJS-UHFFFAOYSA-N	305.378	1.309	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc(N2CCCC2)nc1	176950405	MAGUBAUMNUJKCZ-UVTDQMKNSA-N	300.362	1.351	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNC(=O)c1ccc[nH]1	172970759	UADNWYZHRQPHAY-SECBINFHSA-N	303.366	1.005	50	20	DDGD	
CCC[C@H](CC)NC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1261765283	FBIZLMXOTUXIQJ-OUJBWJOFSA-N	319.243	1.971	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H](C)CCN(C)C)cc1	68598993	YRXGQGFCSHDJDG-GFCCVEGCSA-N	306.410	1.533	50	20	DDGD	
Cn1nnc2cc(C(=O)NNc3ccccc3[N+](=O)[O-])cnc21	182762646	SHHZXQPLCAZPLY-UHFFFAOYSA-N	313.277	1.028	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@H]1C[C@@]1(C)C(C)C	186461155	GGXMTFTWQNYTNI-SJCJKPOMSA-N	320.389	1.904	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1c(Cl)nc2ccccn12	120818626	SIODGXAUPHRPNX-UHFFFAOYSA-N	317.736	1.401	50	20	DDGD	
CN(C)C(=O)NCCNC(=O)/C(C#N)=C\c1ccc(F)cc1	183878188	QVMVNNFIIDCSPA-XFXZXTDPSA-N	304.325	1.120	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cn(Cc2cccc(F)c2)nn1	121643338	PWSWCLUSHCRAPL-UHFFFAOYSA-N	319.340	1.273	50	20	DDGD	
CCc1cccc(C)c1NC(=O)C(=O)NNC(=O)c1ccc[nH]1	123208044	NJGRCWQDUQVJHR-UHFFFAOYSA-N	314.345	1.285	50	20	DDGD	
CCn1nnnc1-c1cccc(NC(=O)NNc2ccncc2)c1	183082712	KJUITRBWDPIMQJ-UHFFFAOYSA-N	324.348	1.904	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)CNC(=O)c1ccoc1C	120490069	MSIFQLXZJNLXMP-UHFFFAOYSA-N	305.309	1.909	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)CN2CCCCC2=O)c1	126100059	MQFGJSUSTVKWCK-UHFFFAOYSA-N	307.741	1.062	50	20	DDGD	
O=C(NNc1ccccn1)Nc1cc(C(F)(F)F)c[nH]c1=O	180298886	BVWUFUWOTOEWEC-UHFFFAOYSA-N	313.239	1.937	50	20	DDGD	
CC#CCNC(=O)NNC(=O)c1cc2c(s1)CCCCC2	135946725	FANNOHWRHWYJSI-UHFFFAOYSA-N	305.403	1.984	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ccc3c(c2)CCC3)n1	134142704	BUBSTOQPSOYKOM-UHFFFAOYSA-N	303.753	1.958	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	47521653	MSZLKOUZJXOVPL-UHFFFAOYSA-N	323.714	1.188	50	20	DDGD	
CC(C)(C)n1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)nn1	191216926	ZLLLUCKWMLNFST-HJTPGIPUSA-N	303.366	1.235	50	20	DDGD	
O=C(CCc1nnc[nH]1)NNc1ccc(C(F)(F)F)cn1	131805312	LASSXCSMJPJYNX-UHFFFAOYSA-N	300.244	1.294	50	20	DDGD	
CCOC(=O)NNC(=O)Cc1csc(NC(=O)C(C)C)n1	44979566	OMJMKCBBVCBXED-UHFFFAOYSA-N	314.367	1.057	50	20	DDGD	
COc1nccnc1NNC(=O)c1ncccc1C(F)(F)F	131761250	CFCCKGZYWMLMHT-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
CCN(C)C(=O)[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(O)cc1	194895300	JFIVAEDVSQKNNA-NASPGAHYSA-N	301.346	1.282	50	20	DDGD	
CCn1cc(CC(=O)NNC(=O)C(C)(C)O)c2ccccc21	190053418	KTWNFZXZQHLJNQ-UHFFFAOYSA-N	303.362	1.122	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Nc1ccccn1	48348722	OHHYIYYNDKSRLW-SNVBAGLBSA-N	318.308	1.841	50	20	DDGD	
O=C(NCCOCC(F)F)NNc1cccc([N+](=O)[O-])c1	190267362	NZROSSMGUSDPDM-UHFFFAOYSA-N	304.253	1.503	50	20	DDGD	
Cn1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O	255296722	RNUSORRILINNHP-XFFZJAGNSA-N	312.285	1.056	50	20	DDGD	
O=C(/C=C\c1cccnc1)NNC(=O)Cn1ccc2ccccc21	255355488	SHNYLZXXCGMRQT-FPLPWBNLSA-N	320.352	1.897	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)C(C)(C)c1ccccc1)C(C)C	266787919	YZSGKGUIWQVAJC-CQSZACIVSA-N	321.421	1.966	50	20	DDGD	
Cc1nccn1CCCNC(=O)NNc1ccc(Cl)nc1	266799365	UPXNNGQIPCQQBB-UHFFFAOYSA-N	308.773	1.956	50	20	DDGD	
CC1(CNC(=O)NNC(=O)Cc2ccncc2)CCCCC1	268146108	VJVIYROTYREVGA-UHFFFAOYSA-N	304.394	1.925	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)NOCC(C)C)c1	269708071	MSUCREYQQGGOJH-UHFFFAOYSA-N	309.366	1.600	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	266688357	BLAVOOBYUAIDAD-LBPRGKRZSA-N	324.337	1.210	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cc2ccccc2o1)[C@@H]1CCOC1	267334324	FYSZRRCRJXVOSM-ZYHUDNBSSA-N	317.345	1.802	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)N[C@@H]1CCO[C@H]1C1CC1	366902601	JEXRIXUABHCWPW-HIFRSBDPSA-N	321.352	1.266	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2C)[nH]n1	273290138	CHVNEXYOLOVMPA-UHFFFAOYSA-N	316.365	1.559	50	20	DDGD	
CSSCCNC(=O)N1CCS(=O)(=O)C[C@@H](C)C1	367920498	IRGPCSJUVIZHON-VIFPVBQESA-N	312.482	1.074	50	20	DDGD	
C[C@@H]1C[C@H](CNC(=O)NNc2nc3ccccn3n2)CCO1	276972157	VNPQHBHBYJFBID-GHMZBOCLSA-N	304.354	1.171	50	20	DDGD	
CN(NC(=O)[C@H]1CCCCCN1C(=O)OC(C)(C)C)C(N)=O	364475687	BZTJFHPTAUIESK-SNVBAGLBSA-N	314.386	1.208	50	20	DDGD	
COC(=O)c1ccncc1OS(=O)(=O)CCCCCl	275743979	HYYJDPSZJAQTBK-UHFFFAOYSA-N	307.755	1.596	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)n1	378589962	PHWIVXHRRKZOJO-LERXQTSPSA-N	320.393	1.920	50	20	DDGD	
CC(=O)Nc1ccc(C)c(NC(=O)NNC(=O)CC2CC2)c1	273488961	NQZRFLGKAADRQD-UHFFFAOYSA-N	304.350	1.906	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1occ2c1CCOC2	375760091	FCMXJILBQYINAT-UHFFFAOYSA-N	318.304	1.495	50	20	DDGD	
C[C@@H](CC(=O)NNc1ncccc1F)NC(=O)C1CCCC1	285805289	ARZKTDSEIOGTKJ-JTQLQIEISA-N	308.357	1.749	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCc2ncc(C(C)(C)C)o2)[nH]n1	282373515	AARXVFFOKMBHQX-UHFFFAOYSA-N	319.365	1.397	50	20	DDGD	
CC(C)(C(=O)NNc1ncccc1F)S(=O)(=O)C1CC1	286149865	YNRBCJWJKKIKNB-UHFFFAOYSA-N	301.343	1.020	50	20	DDGD	
O=C(CC[C@@H]1CCCO1)NNc1ccc(-n2ccnc2)nn1	286454054	AIGSWKIYDRTLRU-NSHDSACASA-N	302.338	1.065	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1noc2c1CCCCC2	281397385	YISKJXXCOKCJJN-UHFFFAOYSA-N	320.271	1.450	50	20	DDGD	
COC(=O)N(C)NC(=O)Cc1ccccc1Br	286323030	LCFGHADAIRSRCK-UHFFFAOYSA-N	301.140	1.721	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H]2CCc3cnn(C)c3C2)n1	282017596	OWMILCIOZXARPV-SECBINFHSA-N	320.784	1.420	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2ccc(Cl)nc2)SCCO1	287160173	MJEZGHINGOBPBX-UHFFFAOYSA-N	313.766	1.491	50	20	DDGD	
COc1cccc(CCC(=O)NNc2nccnc2OC)c1F	287906245	RHCSKCTYLMAATG-UHFFFAOYSA-N	320.324	1.709	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CCC3(CCO3)CC2)cc(C#N)n1C	800653391	SBGNSUDRPIIZKG-DHDCSXOGSA-N	324.384	1.894	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)CCCCCC#N)nc1C	807203178	KGYQFEPFMRSEJL-UHFFFAOYSA-N	319.365	1.879	50	20	DDGD	
Cc1[nH]c(C=O)cc1C(=O)NNc1ccc2c(=O)[nH]ccc2c1	803438518	SLPVPORMLSOLKK-UHFFFAOYSA-N	310.313	1.734	50	20	DDGD	
O=C(NNC(=O)c1cc[nH]n1)Nc1ccc(Br)cc1	801999084	SXLHTUZJFSBUKX-UHFFFAOYSA-N	324.138	1.639	50	20	DDGD	
Cc1nccn1CCCCNC(=O)NNc1ncncc1F	292626673	JFCBTHFBTVTNKU-UHFFFAOYSA-N	307.333	1.227	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1ccc2c(c1)OCC(=O)N2	808246795	JTPDLHNIKCRCQM-UHFFFAOYSA-N	303.145	1.893	50	20	DDGD	
COCc1cccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)c1	296318245	KLQLJUCYSYVWFV-ZDUSSCGKSA-N	307.350	1.555	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)[C@@H]1CCc2nnn(C)c2C1	291305567	OCCJERZDBNSBJF-SNVBAGLBSA-N	303.341	1.511	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)CCC(C)(C)O)cc1	802116867	AIFIXJFDABOKQN-UHFFFAOYSA-N	308.382	1.456	50	20	DDGD	
O=C(NNC(=O)[C@H](c1ccccc1)C1CC1)[C@@H]1CCCCO1	295651069	UZEJOTDMYIUUKP-LSDHHAIUSA-N	302.374	1.897	50	20	DDGD	
O=C(CCCNC(=O)c1cccnc1)NNc1ncccc1F	804213428	NTZNWNOPIGFDRE-UHFFFAOYSA-N	317.324	1.269	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1ccc(C(F)(F)F)[nH]1	807955579	BDJLTQWFCJGOMF-UHFFFAOYSA-N	302.256	1.106	50	20	DDGD	
CC[C@H]1CCC[C@@H]1C(=O)NNC(=O)CNC(=O)c1cccs1	294410047	DKMSTDRKPGBRND-QWRGUYRKSA-N	323.418	1.452	50	20	DDGD	
O=C(Cn1cnc(-c2ccccc2)n1)NNc1ncccc1F	804219346	HSNHDHMRYPKHNO-UHFFFAOYSA-N	312.308	1.623	50	20	DDGD	
CCCCCC(=O)NNc1ccccc1S(=O)(=O)N(C)C	292432628	WGSVWBLNZIVMNQ-UHFFFAOYSA-N	313.423	1.960	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2ccc(Cl)cn2)n1	803282862	JYIXLEFJOJMFSC-UHFFFAOYSA-N	304.737	1.442	50	20	DDGD	
COc1ccc(C)cc1NC(=O)NNC(=O)[C@H]1CCCCO1	297401579	HYBKTLBOZMTJAE-CYBMUJFWSA-N	307.350	1.725	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1nc(-c2ccccc2)no1	298117714	OVJUUGGOJAAQOY-JTQLQIEISA-N	317.305	1.068	50	20	DDGD	
CCCOc1ccc(S(=O)(=O)NN(C)C(=O)OC)cc1	295823019	CHKBHAMZYGJIKZ-UHFFFAOYSA-N	302.352	1.367	50	20	DDGD	
CSCc1cccnc1C(=O)NNC(=O)c1ccncc1	809937132	JTVAWMTVRYMHBC-UHFFFAOYSA-N	302.359	1.414	50	20	DDGD	
CCC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1ccc(F)cn1	814762735	JAJHMVVZZNBERO-LBPRGKRZSA-N	322.384	1.419	50	20	DDGD	
O=C(COc1ccccc1Cc1ccccc1)NNc1nc[nH]n1	816633351	YYHQGARZLPEYNT-UHFFFAOYSA-N	323.356	1.918	50	20	DDGD	
CN(NC(=O)c1ccc(I)cn1)C1CC1	819653250	LTKWCOYNZPLOEY-UHFFFAOYSA-N	317.130	1.425	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cccc(C2CC2)c1	814834973	DCEULGCWKVHNHP-LLVKDONJSA-N	323.418	1.342	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1O)c1cccc(CO)c1	814953620	JQSMTWYIBZSZTJ-UHFFFAOYSA-N	314.341	1.804	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CC[C@H](C(=O)O)C2)cc(C#N)n1C	818772638	BNNJVRONXWEAED-CBJCJLNRSA-N	312.329	1.045	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=Cc1c[nH]c(C(=O)O)c1	814863756	AHFJABYVGCXKEF-UHFFFAOYSA-N	311.301	1.053	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1cnc2[nH]c(O)nc2c1	817005607	ACZGZJIHUYSUTD-UHFFFAOYSA-N	304.697	1.469	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1CCCc2nc(N)sc21	814795565	YYUXOPQSKNWNHO-UHFFFAOYSA-N	322.419	1.543	50	20	DDGD	
CN(NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C1CC1	819648250	YSQPMVOTHUMGJK-JTQLQIEISA-N	307.781	1.818	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)COc2cccc(C)c2)nc1	728854873	FLSOGWXFMVDZOZ-UHFFFAOYSA-N	309.325	1.211	50	20	DDGD	
CCCN1C[C@@H](CNC(=O)NNc2ccc(F)cc2)CC1=O	817788523	RMUUUUISTZMQLH-LLVKDONJSA-N	308.357	1.710	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)CSc2ccccc2O)nn1	814968384	AUCBLCHNFXMEMD-UHFFFAOYSA-N	319.390	1.807	50	20	DDGD	
CC(=NNC(=O)c1cccn1C)c1ccc(-n2cncn2)cc1	725847015	BFNMIMAOHQLHFX-UHFFFAOYSA-N	308.345	1.760	50	20	DDGD	
CN(NC(=S)NCCc1ccccn1)C(=O)OC(C)(C)C	490949377	VXVYUELYEBWRAE-UHFFFAOYSA-N	310.423	1.870	50	20	DDGD	
CC(C)[C@@H](C)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	495434087	MLUUHLHOGKRGIH-SNVBAGLBSA-N	301.387	1.341	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1c[nH]c(-c2nn[nH]n2)c1	826449281	KCTWGHXIEWKORG-UHFFFAOYSA-N	304.701	1.000	50	20	DDGD	
CC(C)N(C)CCNC(=O)NNC(=O)c1cc2c(s1)CCC2	726279952	MEVFLAUVPFDJDC-UHFFFAOYSA-N	324.450	1.521	50	20	DDGD	
CCN(CC)CCSCC(=O)NNC(=O)OC(C)(C)C	492929894	LRKIEWSHTGCJPZ-UHFFFAOYSA-N	305.444	1.617	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1=COCCC1	826445369	RDXWJUIEUNQMSB-UHFFFAOYSA-N	321.728	1.053	50	20	DDGD	
C[C@@H]1CCCN(C(=O)c2cccc(B(O)O)c2)c2ccccc21	584976411	REXBCGRKFSWUTI-CYBMUJFWSA-N	309.174	1.911	50	20	DDGD	
CC(C)COCCC(=O)NNc1ccc(-c2nn[nH]n2)cc1	824272352	WJTIUCMZPAMIDM-UHFFFAOYSA-N	304.354	1.373	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@@H]2C[C@H]2C2CCC2)n1	823547020	XWSAHCOSQHONMS-STQMWFEESA-N	302.378	1.770	50	20	DDGD	
CC[C@H](NCc1ccc(B(O)O)cc1)[C@H](O)c1ccccc1F	585026412	GSRUHPGBZJYYST-DLBZAZTESA-N	317.169	1.107	50	20	DDGD	
CC[C@@H](C)[C@@H](NNC(=O)COc1ccccc1F)C(=O)OC	905747187	KTSPULMXDSUKTF-QMTHXVAHSA-N	312.341	1.413	50	20	DDGD	
Cc1cccnc1C=NNC(=O)c1cccc(-c2nn[nH]n2)c1	826308061	HXXDZGGZGSBISE-UHFFFAOYSA-N	307.317	1.334	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2CC[C@H](c3ccc(F)cc3)C2)c1	585039187	PJJMPGIJCPOWGB-MAUKXSAKSA-N	313.181	1.931	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc2sc(N(C)C)nc2s1	823970765	KWDMYNSQEJRPQN-SSDOTTSWSA-N	314.436	1.381	50	20	DDGD	
Cc1ccc(C(=O)NN(C)[C@H](C)CO)cc1Br	823951612	LLYFCAJILLXAIS-SECBINFHSA-N	301.184	1.715	50	20	DDGD	
CN1CCN(C(=O)/C(C#N)=C/c2cnn(C)c2)c2cccnc21	491101137	CXNQZJKKTHHNBE-MDWZMJQESA-N	308.345	1.205	50	20	DDGD	
CCNC(=O)NNC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C	491834823	NRUZFQJNGYPMOJ-JTQLQIEISA-N	314.386	1.126	50	20	DDGD	
C[C@@]1(C(=O)N2CCC3(CC2)OCCO3)C[C@H]1Br	905880952	NIBWPRKGCWUSPY-MWLCHTKSSA-N	304.184	1.525	50	20	DDGD	
C[C@]1(C(=O)NC[C@@H](O)CN2CCCCC2)C[C@@H]1Br	907067461	GWEMZRPKPWCLAI-MDZLAQPJSA-N	319.243	1.123	50	20	DDGD	
CCCN([C@@H](C)C(=O)OC)S(=O)(=O)CC(C)(C)CCl	907706767	KULHHGSDWXMADM-JTQLQIEISA-N	313.847	1.855	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2C[C@H]2C(C)C)cc1	838761642	VQEVUFRMMFUPLQ-UONOGXRCSA-N	305.378	1.749	50	20	DDGD	
COC[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccccc1	495822646	ZQIMEFVRDXGIEL-LBPRGKRZSA-N	309.366	1.669	50	20	DDGD	
C=CCONC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	838701826	GTRJFJAJIWJZNE-GFCCVEGCSA-N	307.350	1.519	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)C1=Cc2cc(F)ccc2OC1	833242490	LEVJTWOCLLBVEH-CQSZACIVSA-N	320.320	1.318	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)c1ccc2c(c1)OCO2	834919489	HZDPHLXNHMJZHR-UHFFFAOYSA-N	301.306	1.099	50	20	DDGD	
C[C@@H](C[C@@H](C)N)NC(=O)NNC(=O)c1cccc2ncccc12	831212386	OMIKUTHJMCCJPK-MNOVXSKESA-N	315.377	1.305	50	20	DDGD	
CCN(CC)C(=O)N1CCC(C(=O)NNC(=O)C2CCC2)CC1	732143242	XXORROVJCAZVMQ-UHFFFAOYSA-N	324.425	1.108	50	20	DDGD	
CC[C@@H](O)[C@H](C)C(=O)NNc1ccnc(Br)c1	907449916	SZPXSQQQROPHFY-IONNQARKSA-N	302.172	1.694	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1ccc(OC)c(C)c1C	735267808	ZNSCHDSYVNRTSQ-UHFFFAOYSA-N	315.395	1.215	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)c1cc(Cl)ccc1O	839477438	DTLXIGUXLGWIOQ-FXBDTBDDSA-N	322.748	1.422	50	20	DDGD	
O=C(NNC(=O)c1cc(C(F)(F)F)ccn1)NC1CCCC1	900412727	ITIACIWYORKBJA-UHFFFAOYSA-N	316.283	1.987	50	20	DDGD	
COCCN(C)CCCNC(=O)[C@]1(C)C[C@H]1Br	906123979	PTWLGSCZWMZJEC-ZYHUDNBSSA-N	307.232	1.244	50	20	DDGD	
O=C(NN=Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCC1	731936432	XKGDNFUGMMKWCC-UHFFFAOYSA-N	305.290	1.616	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)/C=C\c2ccco2)nc1C	588396310	GOGRSAPUFDZNMO-SREVYHEPSA-N	316.317	1.711	50	20	DDGD	
Cc1ccc(N2CCC[C@H](NCc3ccc(B(O)O)o3)C2)cc1	585026500	HPKRCYZBIPPIAK-AWEZNQCLSA-N	314.194	1.026	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1cc(Cl)c2c(c1)OCCCO2	839770539	WHAWVLSTRJTSMK-UHFFFAOYSA-N	309.713	1.376	50	20	DDGD	
COC(=O)[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H]2Br)C[C@@H]1C	912689450	BCUXKXUCJIIMEN-MPXOCVNLSA-N	318.211	1.818	50	20	DDGD	
C#CCOc1ccccc1C=NNC(=O)Cn1nc(C)cc1C	916342880	CRXHIIOIADYOHD-UHFFFAOYSA-N	310.357	1.662	50	20	DDGD	
O=C(CSc1nncs1)NNc1cccc([N+](=O)[O-])c1	748000219	JKDRELJVUGDTLN-UHFFFAOYSA-N	311.348	1.682	50	20	DDGD	
Cc1cc(C=NNC(=O)c2cccc(S(C)(=O)=O)c2)c(C)[nH]1	915052488	MKFWGQHTFSTPRS-UHFFFAOYSA-N	319.386	1.799	50	20	DDGD	
CC(=O)NCC(=O)NNc1ccc(Br)cc1C	748730760	UHRFQAVJXXGICU-UHFFFAOYSA-N	300.156	1.337	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCCOc1ccccc1	843641140	RUZIZCAIASPQNI-GXTWGEPZSA-N	306.362	1.418	50	20	DDGD	
CC(=NNC(=O)c1nn(C)c(=O)c2ccccc12)c1cccnc1	916316625	YTQULLHLQSMYAY-UHFFFAOYSA-N	321.340	1.483	50	20	DDGD	
O=C(NNc1cc(O)nc2ncccc12)[C@@H]1OC[C@@H]2CCC[C@@H]21	913996252	MSOGTMAVORMRSC-PKFCDNJMSA-N	314.345	1.594	50	20	DDGD	
CN[C@@H]1CCN(C(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)C1	846662485	SNFODODJZVBWTO-SRRSOLGSSA-N	301.228	1.760	50	20	DDGD	
CO[C@](C)(C1CC1)[C@H](C)NC(=O)NNC(=O)c1cccc(C)n1	840424363	OPMWHZDJRYPURJ-ZBEGNZNMSA-N	320.393	1.538	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H](C)n2cncn2)c1C	914604631	YIWNYKGAUYNAAZ-LLVKDONJSA-N	318.406	1.474	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC[C@@H](C)O)c1C	849617175	HPXQLEMNEWLTLC-BVTUPMQUSA-N	320.389	1.972	50	20	DDGD	
O=C(NNc1cccc(F)c1F)N[C@@H]1CC[C@H]2CNC[C@H]2C1	842015274	LMYXTSMBOLLIDO-HBNTYKKESA-N	310.348	1.979	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1CC12CCCC2	747349250	BYIMCLBJUDEUSX-LBPRGKRZSA-N	312.373	1.984	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCOc1cccc(Cl)c1	915191444	PZZAMHHHFJDYRU-UHFFFAOYSA-N	321.764	1.909	50	20	DDGD	
Cc1nc(CNC(=O)NNC(=O)CC(F)(F)F)sc1C	745925181	GAAMCKVRCVTJKN-UHFFFAOYSA-N	310.301	1.543	50	20	DDGD	
CC(C)(N)CNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	841950367	MAAXAKIJOJDEOK-UHFFFAOYSA-N	306.410	1.665	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2cccnc2OC)n1	746744474	NDEQTCPLSUPNHT-UHFFFAOYSA-N	318.337	1.024	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccc2c(c1)CCCN2	841301942	BQEHYHBSCJIICR-UHFFFAOYSA-N	314.349	1.992	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNc1ccc(F)c([N+](=O)[O-])c1	846637370	DETMFJJEUGJUQS-UHFFFAOYSA-N	312.301	1.339	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H](C)CCCN)c1F	841999812	OMCMZTIKXWSKGI-VIFPVBQESA-N	312.345	1.366	50	20	DDGD	
CCCCCCCCCC(=O)NNC(=O)C(=O)N1CCCC1	748240212	CFTHNUABQITKNZ-UHFFFAOYSA-N	311.426	1.897	50	20	DDGD	
C[C@@H](NC(=O)NNc1nccc2sccc12)c1nncn1C	746941394	AZFYGBSROZGDQX-MRVPVSSYSA-N	317.378	1.812	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@H]1CCN(CC(F)F)C1	842195902	JDLWGUMRHQGGBT-QMMMGPOBSA-N	321.278	1.325	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)CCN1C	843881299	VXUBRTKBJRRWSK-BXUZGUMPSA-N	319.409	1.246	50	20	DDGD	
CCS(=O)(=O)N[C@H](C)C(=O)NNc1ccc(Cl)c(C)c1	928340177	SSYQPDLSIQUJMR-SECBINFHSA-N	319.814	1.419	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccsc1C(F)F	924250517	MIHJLZYQXPJVBI-ZCFIWIBFSA-N	320.317	1.788	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc([N+](=O)[O-])cc1F)c1ncnn1C	854017424	LMUNYHUMBDUBNK-ZETCQYMHSA-N	323.288	1.250	50	20	DDGD	
C[C@@]1(CNC(=O)Cn2cc(Cl)cn2)C[C@@H]1Br	857389118	YFNNNXQANQIDHS-WPRPVWTQSA-N	306.591	1.826	50	20	DDGD	
CC1(C)OC[C@H](CNC(=O)NC[C@@]2(C)C[C@@H]2Br)O1	856884352	YIQYJNXDQZJJTG-HOTUBEGUSA-N	321.215	1.611	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NN=CC2CCSCC2)c1	853323524	XTOKATOYIGOJNR-UHFFFAOYSA-N	306.391	1.899	50	20	DDGD	
CCC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1nccn1C	755750760	QYHSPIARWVLZCF-UHFFFAOYSA-N	317.305	1.578	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CC23CCC3)cc1OC	759687802	BKNBSXNBCGCRCP-LLVKDONJSA-N	304.346	1.655	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cccc([C@H]2CCCN(C)C2)c1	856758414	GAISYBDRKGOPOZ-HNNXBMFYSA-N	303.406	1.913	50	20	DDGD	
CC(C)Oc1cccc(C(=O)NNC(=S)N[C@H](C)C2CC2)n1	855098321	FYOANLXJKJYYLG-SNVBAGLBSA-N	322.434	1.776	50	20	DDGD	
CO[C@H](C)CNC(=O)NNC(=O)Nc1cc(F)cc(F)c1	852534286	JXZVGOZVYJUIEB-SSDOTTSWSA-N	302.281	1.335	50	20	DDGD	
C[C@@]1(CNC(=O)NCC2(C(=O)O)CCC2)C[C@H]1Br	857101267	VHGDYANCKHGLIK-KCJUWKMLSA-N	319.199	1.714	50	20	DDGD	
CN(CC1CC1)S(=O)(=O)NC[C@]1(C)C[C@@H]1Br	856754118	CHTIBDKYFQKBSC-UWVGGRQHSA-N	311.245	1.336	50	20	DDGD	
CCSc1ccccc1C(=O)NNc1ccc(C(N)=O)nn1	757402174	JIUBSKOBQZEFFA-UHFFFAOYSA-N	317.374	1.444	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C2CC(F)(F)C2)c1	753561856	DFIBNOOMIGSBES-UHFFFAOYSA-N	312.316	1.875	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C(F)=C1CCCC1	854282745	SLRKDJVVIRZAIK-UHFFFAOYSA-N	303.403	1.658	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCN1CCc2ccccc21	926795655	HFUHADNXRSBKJY-UHFFFAOYSA-N	318.421	1.816	50	20	DDGD	
Cc1nnc(CN(C)C(=O)NC[C@]2(C)C[C@H]2Br)o1	856892307	DSFMTDKPXALUBR-KCJUWKMLSA-N	317.187	1.693	50	20	DDGD	
C[C@@H]1CCC(=O)CN1C(=O)NC[C@]1(C)C[C@@H]1Br	923375236	ZVJCGPAKTXVMOL-QRTLGDNMSA-N	303.200	1.923	50	20	DDGD	
CC(C)(C)CC(=O)NN=Cc1cnc(N2CCOCC2)s1	755697985	LRPRHVRNMQVPSM-UHFFFAOYSA-N	310.423	1.866	50	20	DDGD	
CN1CC=C(CNC(=O)NC[C@]2(C)C[C@@H]2Br)CC1	856952456	DKIBJCKSRNFQAI-AAEUAGOBSA-N	316.243	1.721	50	20	DDGD	
C[C@@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)CCc1ccccc1	759765649	BTJXHSCOXZTYAW-ZFWWWQNUSA-N	319.405	1.765	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C=NNC(=O)c1cnccn1	853287132	QSQXFMVQNKUGAB-SMDDNHRTSA-N	314.349	1.094	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1ccc(-n2cccn2)cc1	755610957	UXAFXZMKQBNRMK-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
CC[C@@H]1CN(C(=O)NNC(=O)c2cccc(F)n2)CCS1	852708437	BJVCVPDVIRFMSF-SECBINFHSA-N	312.370	1.403	50	20	DDGD	
COC[C@@H]1CCCN1C(=O)NC[C@]1(C)C[C@@H]1Br	856898620	DCIDYKAMBKNIMA-NHCYSSNCSA-N	305.216	1.980	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1cnn(C(C)(C)C(=O)OC)c1	856088706	SOBNBJULJUEFMP-KTKRTIGZSA-N	306.322	1.174	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNC(=O)CC2CCCC2)CCCC1	857091944	MEOBUZRJYIDDKZ-UHFFFAOYSA-N	316.423	1.072	50	20	DDGD	
Cc1ncc(NC(=O)NNC(=O)Cc2ccc(F)cc2)cn1	756373627	XYHVXXXBYXGNGF-UHFFFAOYSA-N	303.297	1.320	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)CCCc2ccccc2)[nH]n1	861382024	STJXCISZEMPNSM-UHFFFAOYSA-N	317.349	1.594	50	20	DDGD	
COc1c(F)cc(NCc2cccc(B(O)O)c2)c(OC)c1F	864038595	XPLPAVVEBLIPJD-UHFFFAOYSA-N	323.104	1.274	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2ccc(-n3cncn3)nc2)c1	760141618	RRRUQEQMPFGHBY-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
Cc1cc(C(=O)CCC(=O)NNC(=O)c2cn[nH]c2)c(C)s1	862473629	CGTJKAYYPSFNAM-UHFFFAOYSA-N	320.374	1.512	50	20	DDGD	
Cc1cc(C(=O)NNc2ncc(F)cn2)n2nc(C)cc2n1	760310000	PDVTZYBWJBVSNV-UHFFFAOYSA-N	301.285	1.032	50	20	DDGD	
COc1nccnc1NNC(=O)c1c(F)ccc(F)c1OC	764464691	FZXZYWHDMBYJMH-UHFFFAOYSA-N	310.260	1.529	50	20	DDGD	
COCCN(C)NC(=O)c1c(C(F)F)nc2n1CCCC2	868241880	QGZDHASDQFBFKR-UHFFFAOYSA-N	302.325	1.380	50	20	DDGD	
CC1(C)C(=NNC(=O)CS(C)(=O)=O)C[C@@H]1Oc1ccccc1	863186413	WZEGDFAINJZSDE-ZDUSSCGKSA-N	324.402	1.381	50	20	DDGD	
CCSc1cccc(NC(=O)C(=O)NNc2cnccn2)c1	766260505	PEFVKWZMKPTNQE-UHFFFAOYSA-N	317.374	1.670	50	20	DDGD	
CC1(C)CCC(=NNC(=O)CS(C)(=O)=O)c2ccccc21	863187110	XTVNJRLBTFGOHU-UHFFFAOYSA-N	308.403	1.623	50	20	DDGD	
O=C(NN=C1CCS(=O)CC1)c1cccc2ncccc12	761811144	XCDOJLFNMDPTCE-UHFFFAOYSA-N	301.371	1.863	50	20	DDGD	
CC(=NNC(=O)C(=O)NC(C)C)c1ccc(-n2cccn2)cc1	874097058	CYSJKCWKUWVQPA-UHFFFAOYSA-N	313.361	1.237	50	20	DDGD	
CCc1c(C(=O)NNC(=O)C(C)(C)O)cnn1C(CC)CC	768242840	BJJWJIKENWSVRW-UHFFFAOYSA-N	310.398	1.339	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)C1CC(=O)C1	873854230	URZOPVUCWLISFP-UHFFFAOYSA-N	305.403	1.854	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874953056	QOICTSKKZZHNSK-ZDUSSCGKSA-N	324.450	1.885	50	20	DDGD	
C#CCN1CCC[C@@H](NC(=O)NNc2cc(Cl)ccn2)C1	1119310315	YIIVKQXSFKKJML-GFCCVEGCSA-N	307.785	1.459	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CNC(=O)c1ccccc1	772853476	HMKSXRCGOBGTBH-UHFFFAOYSA-N	313.361	1.473	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)CCc1c(C)nc(O)nc1O	771708819	UZUOKZXZNXYWLO-UHFFFAOYSA-N	320.324	1.720	50	20	DDGD	
Cc1ncncc1C(=O)NNC(=O)c1ccc(Cl)cc1F	1116185966	FYBSVZMYFZGVQX-UHFFFAOYSA-N	308.700	1.652	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2ccccc2[N+](=O)[O-])cn1C	773929903	WASNCGZIIKNTEY-UHFFFAOYSA-N	302.290	1.359	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)CCCCCl)C[C@@H](C(F)(F)F)O1	780804543	MURWZIKSGJNHPX-IUCAKERBSA-N	323.764	1.987	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc(N2CCOC2=O)c1	878209250	DJCCMRYAMIGJLW-UHFFFAOYSA-N	308.338	1.258	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])[C@H]1CCCc2cccnc21	770044479	KKPMTTKZGFQDEE-NSHDSACASA-N	313.317	1.948	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)c2cccc[n+]2[O-])c1	1116838042	RTYVFCAVNUJAFN-UHFFFAOYSA-N	315.333	1.170	50	20	DDGD	
C#C[C@H](NC(=O)NNc1cccc(C(=O)OC)c1)[C@H]1CCCO1	776234761	MRARTHPNZJBKGY-UONOGXRCSA-N	317.345	1.280	50	20	DDGD	
CCOc1cc(C=NNC(=O)CO)ccc1OCC(F)(F)F	776783994	VVZGGUSEVBINKJ-UHFFFAOYSA-N	320.267	1.469	50	20	DDGD	
Cc1c[nH]cc(C(=O)NNc2nc(C(F)(F)F)cs2)c1=O	781429774	RBXZBWZEMYVVEX-UHFFFAOYSA-N	318.280	1.916	50	20	DDGD	
C[C@@H]1CCC[C@@H](C(=O)NNc2ccccc2S(N)(=O)=O)C1	788228639	NZTDYBDXHINYCD-GHMZBOCLSA-N	311.407	1.603	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)NC1(Cc2ccccc2)CC1	883752675	VKWDYNKVGYUJSO-UHFFFAOYSA-N	317.389	1.519	50	20	DDGD	
COc1cccc(NNC(=O)COc2ccc(C=O)cc2)n1	781027536	WGAILKISCVVWQR-UHFFFAOYSA-N	301.302	1.425	50	20	DDGD	
Cc1cccc(C2(C(=O)NNC(=O)C3CCOCC3)CC2)c1	883062565	ISGUKVYMPUXBNB-UHFFFAOYSA-N	302.374	1.601	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@H](NC(=O)NNc2ncncc2Cl)C1(C)C	781017422	XMMMOBFETAHVLX-FKTZTGRPSA-N	313.789	1.816	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1ccnc(-n2ccnc2)c1	781831940	SOMQDGZDZCYEQP-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
O=C(CCCc1ccc(O)c(F)c1)NNc1ncc(F)cn1	787168039	HUTHNROUGYMGPP-UHFFFAOYSA-N	308.288	1.926	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cc(N)nc(Cl)c1	780731449	IJWIIBUKTDZHRE-UHFFFAOYSA-N	320.736	1.861	50	20	DDGD	
Cc1cc2cc[nH]c2cc1NC(=O)NNC(=O)c1cnccn1	782090163	IJFSXOLPSJUZTR-UHFFFAOYSA-N	310.317	1.733	50	20	DDGD	
Cc1cnn(C)c1C=NNC(=O)c1nn(-c2ccccc2)cc1O	794880721	GJIAIMDPAIKWRM-UHFFFAOYSA-N	324.344	1.384	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](NC(C)C)c1ccc(OC)cc1	897290099	ULKQOKGNPKWKPV-CQSZACIVSA-N	322.409	1.427	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)c1ccnn1CC(F)F	790015720	ODSGJIDEDYLFSU-UHFFFAOYSA-N	301.684	1.954	50	20	DDGD	
O=C(NN=C1CCCc2c1cnn2-c1ncccn1)c1ccc[nH]1	792960560	VOKDJCOVFNJZKA-UHFFFAOYSA-N	321.344	1.461	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)C1=CCOCC1	793940692	ZEIHVZLMGAVZGF-UHFFFAOYSA-N	303.347	1.390	50	20	DDGD	
CC(C)C(CS(=O)(=O)N(C)C)=NNC(=O)CC(C)(C)C	794905582	WBRLJECDOONDKW-UHFFFAOYSA-N	305.444	1.442	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2c[nH]c3ncccc23)n1	794084585	SRKLTYFKENLHQU-UHFFFAOYSA-N	309.329	1.270	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2C[C@@H](C)S[C@H](C)C2)n1	793220864	SJBXRCPTYSZIIL-GHMZBOCLSA-N	308.407	1.570	50	20	DDGD	
COc1cccc(NNC(=O)c2cn(C)nc2-c2ccoc2)n1	790015705	LBGVHJKZPACXFK-UHFFFAOYSA-N	313.317	1.841	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)c1ccn(CC(F)F)n1	790823883	YIBAFIJMFFEBCV-UHFFFAOYSA-N	301.684	1.954	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C	792778951	VMVNFDKLQRBXJA-VIFPVBQESA-N	315.370	1.409	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC(C)(C)C[C@@H](C)O)cc1	1318889388	IWQYHTRVLULMRB-LLVKDONJSA-N	323.393	1.436	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cc(Cl)ccc1O	1318249263	XYRYXSWMQFPWHR-UHFFFAOYSA-N	313.810	1.955	50	20	DDGD	
C/C(=C\C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)c1ccco1	1327129268	XMTACPQPWQVPGB-ZKQHCESOSA-N	322.361	1.808	50	20	DDGD	
Cc1cccc(NNC(=O)Nc2ccnn2C[C@@H]2CCOC2)n1	1329977777	GWDJPNAHJLETCE-LBPRGKRZSA-N	316.365	1.772	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cc(C(N)=O)cs2)cc1	1323738903	OFMYBLVMBKITRR-UHFFFAOYSA-N	303.343	1.620	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cc(-c3ccco3)[nH]n2)c1Cl	1253163959	XVZIUACIDAMTTB-UHFFFAOYSA-N	319.712	1.452	50	20	DDGD	
CCC(=NNC(=O)C(=O)OC)c1cccc(Br)c1	1252511541	PNPYPADCPKLCHJ-UHFFFAOYSA-N	313.151	1.852	50	20	DDGD	
O=C(NNc1ncccc1Cl)C1CCS(=O)(=O)CC1	1339110529	JBTLLCQLEKAGEO-UHFFFAOYSA-N	303.771	1.003	50	20	DDGD	
CN1C(=O)CCC[C@H]1C(=O)NNC(=O)c1ccccc1Cl	1339307420	VZMCUBOEDWICQO-NSHDSACASA-N	309.753	1.112	50	20	DDGD	
CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)C2CCC(Cl)CC2)O1	1263773395	SADWMJDLHJVCQX-FIYWTHMPSA-N	316.829	1.536	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1CC(C)(C)[C@@H]2CCC[C@@H]21	1340402204	VZBMFZTZZVVLDG-LPWJVIDDSA-N	309.410	1.663	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N2CC[C@H](CF)C2)C[C@@H]1Br	1353782245	GJYSCHNDZVYOQH-VDDIYKPWSA-N	321.190	1.094	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)Cn1ccc(C(=O)O)n1	1607787367	AYDMHPHARZBVJL-UHFFFAOYSA-N	308.725	1.686	50	20	DDGD	
O=C(O)C(=O)NN=Cc1c(F)ccc(Br)c1F	1608530997	PCZWOJRTKXDCGU-UHFFFAOYSA-N	307.050	1.262	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNc1ccccc1C(=O)O	1601322901	FIVJIVASSKCJAV-UHFFFAOYSA-N	319.342	1.319	50	20	DDGD	
O=C(O)CC[C@H]1C[C@@H](C(=O)NNc2cccnc2Cl)CO1	1606111884	PSZHQBUVVRXZKE-BDAKNGLRSA-N	313.741	1.448	50	20	DDGD	
Cc1cc(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)c(C)[nH]1	1609400022	ZIXOQECZBGVBIC-UHFFFAOYSA-N	309.333	1.576	50	20	DDGD	
O=C(NC[C@H]1C[C@H]1C(=O)O)NNc1c(F)cccc1Cl	1601527420	COMZXSFPMVXNJP-RNFRBKRXSA-N	301.705	1.826	50	20	DDGD	
COCc1nccc(NC(=O)NNc2cccc(C(=O)O)c2)n1	1606980064	ILGMGLRCCWPMDI-UHFFFAOYSA-N	317.305	1.470	50	20	DDGD	
O=C(O)c1ccc(Br)c(NNC(=O)[C@@H]2C[C@H]2F)c1	1608870762	NOLGCEPHZVRXSI-HTRCEHHLSA-N	317.114	1.948	50	20	DDGD	
O=C(O)C12CC(C(=O)OCCCI)(C1)C2	1608582087	XCOFFHDEOICEDI-UHFFFAOYSA-N	324.114	1.610	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CC1	1603044494	RSKSWIBBDLHJDA-UHFFFAOYSA-N	314.349	1.064	50	20	DDGD	
O=C(NNc1ccc(F)cc1Br)[C@H]1C[C@H]1C(=O)O	1608480337	HPFAQEFITINHKA-NKWVEPMBSA-N	317.114	1.752	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H](C(=O)O)C1)c1cccc2ccccc12	1601555823	JAIRRVGCIUOEAG-TXEJJXNPSA-N	312.325	1.712	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)ccc1F	1549317049	JIIRKMCGXUKEJW-IUODEOHRSA-N	321.352	1.148	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(C(=O)O)c(C)cc1C	1610009650	SNEYTHMZRYIGOM-UHFFFAOYSA-N	308.338	1.699	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C=NNC(=O)c1ccncc1	1552448218	RGUNJPQMOJIDOE-UKRRQHHQSA-N	313.361	1.699	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H]1CNC[C@H]1Cc1ccccc1	1575105881	AWXNDVMRTSRPFE-ZIAGYGMSSA-N	303.406	1.258	50	20	DDGD	
CC1(C)CCN[C@@H]1C(=O)NNC(=O)c1c[nH]c2ccccc12	1576443041	RWEMKXGTIVKIEO-CYBMUJFWSA-N	300.362	1.317	50	20	DDGD	
CCC[C@@](C)(N)C(=O)NNC(=S)NCCc1cccs1	1577328508	PVMOWBSEVRVDRK-CYBMUJFWSA-N	314.480	1.303	50	20	DDGD	
C#CC[C@]1(C(=O)NNc2oc(C(C)C)nc2C#N)CCCN1	1574526136	YRHOGZQLTAZKPP-OAHLLOKOSA-N	301.350	1.258	50	20	DDGD	
CCCN[C@@H](C)C(=O)NNC(=S)Nc1ccccc1OC	1577554703	MBSMMDSTEABZRF-JTQLQIEISA-N	310.423	1.401	50	20	DDGD	
C#CCCCC(=O)NN=Cc1ccc(OC)c(-c2nn[nH]n2)c1	1588341108	WYOOPCGGXMPMET-UHFFFAOYSA-N	312.333	1.129	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@H]1C(=O)O)c1cccc2ccccc12	1594782474	ALBBFARNCMJQRT-ZIAGYGMSSA-N	312.325	1.712	50	20	DDGD	
Cc1[nH]c(C(=O)O)c(C)c1C(=O)NNc1ncc(Cl)cn1	1599957344	PIRVCAKVJWWXRV-UHFFFAOYSA-N	309.713	1.530	50	20	DDGD	
CC[C@@H](C)[C@H](C)NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1590398337	ANFPJPLIOVLKCT-BDAKNGLRSA-N	304.358	1.322	50	20	DDGD	
CC[C@@H](C(=O)O)C(=O)NNc1nnc(-c2ccccn2)s1	1594755769	RBZJKZSGAJNMEF-SSDOTTSWSA-N	307.335	1.154	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)[C@@H](C)C(=O)O	1594273479	OIRAHFKVQZKUDD-SSDOTTSWSA-N	301.140	1.921	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)C(C)(C)C(=O)O)cc1	1593711135	SHAYHOVFGPICMX-UHFFFAOYSA-N	308.338	1.016	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H]2CC[C@H]2C(=O)O)c1	1594351850	AEAOJEMGTIYMBR-GHMZBOCLSA-N	321.402	1.732	50	20	DDGD	
CN(C)C1(C(=O)NNc2ccc(C(=O)O)cc2F)CCCC1	1598178425	JORIDFDJJBLROS-UHFFFAOYSA-N	309.341	1.841	50	20	DDGD	
CCOc1cc(C=NNC(=O)c2cccc(C(=O)O)c2)ccn1	1776095948	CYMQOTYHIUUMIX-UHFFFAOYSA-N	313.313	1.942	50	20	DDGD	
CCOc1cc(C=NNC(=O)C(C)C)ccc1OCC(=O)O	1776025425	YVTIOIUFNVYUOV-UHFFFAOYSA-N	308.334	1.655	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)c2ccncc2)cc1OC	15475966	BUIMGWXIUAXILL-UHFFFAOYSA-N	315.329	1.564	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCCNC(=O)c1ccccc1Cl	158945077	ORTVHYPCNXZVJP-KHPPLWFESA-N	321.764	1.630	50	20	DDGD	
CC[C@H](C(=O)NNc1cnc2ccccc2n1)N1CCCC1=O	163631389	SZUOREOLBKSMBM-CYBMUJFWSA-N	313.361	1.474	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2cccc(C(F)(F)F)n2)CCN1	151902754	ABKVHHGJOFBANV-SSDOTTSWSA-N	302.256	1.070	50	20	DDGD	
CCN(CC(=O)NNC(=O)CCCc1ccccc1)C1CC1	152089968	QECXFYBMWKUWTN-UHFFFAOYSA-N	303.406	1.641	50	20	DDGD	
CC1=C(C(=O)NNC(=O)COCc2ccccc2)CCCO1	152726252	MOMCKUCWUBCOEK-UHFFFAOYSA-N	304.346	1.435	50	20	DDGD	
COC(=O)CCN1CCN(C[C@@H](C)CBr)[C@H](C)C1	152802591	QUNZPLJSBLTZHB-NWDGAFQWSA-N	321.259	1.587	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)[nH]n1	153365912	PPUBBHBVFQPOBH-IUCAKERBSA-N	320.299	1.561	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2ccc(C(F)(F)F)cc2)CC1	153704224	MGBDYNOSORNGGU-UHFFFAOYSA-N	301.268	1.675	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccncc1)c1c(F)cccc1F	154039378	FLVFWTUYVNDHIP-SECBINFHSA-N	305.284	1.925	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2ccnc(C)n2)n1	155879880	SITQJYRVEQPZLP-UHFFFAOYSA-N	301.354	1.178	50	20	DDGD	
CC(C)C[C@H](C)CC(=O)NNc1nccc(N2CCOCC2)n1	155498250	IAIZAQQUOXYHEI-ZDUSSCGKSA-N	321.425	1.829	50	20	DDGD	
Cc1ccc(C)c(NC(=O)C(=O)NNC(=O)c2ccncc2)c1	159809803	BZBQVEMDNIXIJL-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1	159550337	PNQUUUFUACEIEJ-WAIALKQBSA-N	324.384	1.667	50	20	DDGD	
CSSCCNS(=O)(=O)c1ccc(C(=O)O)c(C)c1	285253144	ZGFOPCIKINFXCC-UHFFFAOYSA-N	321.445	1.983	50	20	DDGD	
CN(NC(=O)c1cc(Br)no1)C(=O)OC(C)(C)C	866008483	CDRLAWRJKIXPTL-UHFFFAOYSA-N	320.143	1.949	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](C)OCc1ccccc1	109858701	OUJHOAJXPBXJOB-LLVKDONJSA-N	302.334	1.084	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)c2ccccc2O)c1	8167918	QHYHCFSFLLLGMJ-UHFFFAOYSA-N	301.302	1.867	50	20	DDGD	
O=C(Cc1cccc(F)c1)NNC(=O)c1ccc(Cl)nc1	53604520	VOBZBQHDQPTJJZ-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1cc(F)c(F)cc1F	105592166	WFSJJKNSTYTBOZ-UHFFFAOYSA-N	324.324	1.850	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cccc(C#N)c2)ccc1C	103402796	LVDAYYDILGHBKT-UHFFFAOYSA-N	309.325	1.950	50	20	DDGD	
COc1ccccc1CNC(=O)NNC(=O)Cc1cccnc1	171725322	IEJGOVLBQDQNDA-UHFFFAOYSA-N	314.345	1.163	50	20	DDGD	
CNc1cc(C(=O)NNC(=O)Cc2cccnc2)cc(Cl)n1	111608926	BYTCCDPLTRUREP-UHFFFAOYSA-N	319.752	1.175	50	20	DDGD	
Cn1cc(C(=O)NNc2ncc(F)cn2)c(-c2cccs2)n1	119638659	GHIFPYJKEARKEM-UHFFFAOYSA-N	318.337	1.835	50	20	DDGD	
C[C@@H]1CCC[C@H](OCC(=O)NNC(=O)CNc2ccccc2)C1	112724337	FLWPPAVIBYIIII-HIFRSBDPSA-N	319.405	1.841	50	20	DDGD	
CCN(CC)C(=O)CCCC(=O)NNc1ccc(Cl)nn1	118498979	QGOJIDINRMBEAK-UHFFFAOYSA-N	313.789	1.612	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)C(C)(C)C)Oc1ccc(F)cc1	176585323	ZBMVAAKOYLGQEQ-SNVBAGLBSA-N	311.357	1.970	50	20	DDGD	
CN(C)c1ncccc1C=NNC(=O)c1cccc([N+](=O)[O-])c1	1342843825	QUJBVZFAQBDBQM-UHFFFAOYSA-N	313.317	1.820	50	20	DDGD	
Cc1nc2c(cnn2C(C)C)cc1C(=O)NNC(=O)NC1CC1	68270258	YGQBQDFAXHPLPH-UHFFFAOYSA-N	316.365	1.427	50	20	DDGD	
CCN(CC)CCCNC(=O)NNC(=O)Cc1ccccc1F	66975912	KQVVDBNLBUHNQG-UHFFFAOYSA-N	324.400	1.431	50	20	DDGD	
Cc1nn(C)cc1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	113141312	LJGJMCMIYGFGJX-JTQLQIEISA-N	320.324	1.096	50	20	DDGD	
CC(C)Cc1ccc(S(=O)(=O)NNC(=O)NC(C)C)cc1	62930870	XLHQWWMQOZNYKG-UHFFFAOYSA-N	313.423	1.786	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)COCc1ccccc1)C1CC1	172377445	RYCYPPWRTLDZPM-LLVKDONJSA-N	307.419	1.497	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cn2c(C)cccc2n1	67435773	HOOUBDQVLBBFNK-UHFFFAOYSA-N	324.340	1.726	50	20	DDGD	
C[C@@H]1CCC[C@H]1CC(=O)NNC(=O)COc1ccc(C#N)cc1	184605714	ZJNRFFHXSYMZBI-OCCSQVGLSA-N	315.373	1.911	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2)on1)Nc1ccon1	183543272	KCXMVJNJBXRSKS-UHFFFAOYSA-N	313.273	1.796	50	20	DDGD	
O=C(Cc1coc(-c2ccccc2)n1)NNc1ncc(F)cn1	122528689	NRUYNLJCVWRUTF-UHFFFAOYSA-N	313.292	1.957	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)C(=O)NNc1cc(Cl)nc(N)n1	121654790	QFZQHPRMRRPKIY-RXMQYKEDSA-N	309.761	1.299	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCc2ccccn2)cc(C#N)n1C	32657809	QHQJXDZMXLFCPV-OQLLNIDSSA-N	319.368	1.866	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)on1	75570643	SDOLUWQSUCUIIB-UHFFFAOYSA-N	303.322	1.516	50	20	DDGD	
CC(=O)Nc1ccc(CC(=O)NNc2ncc(F)cn2)cc1	123082310	GNOZXLITGJJYDM-UHFFFAOYSA-N	303.297	1.260	50	20	DDGD	
CC[C@H](C)[C@@H](C)C(=O)NNC(=O)COc1ccccc1OC	183506931	LPURMZIQTRHDLC-NWDGAFQWSA-N	308.378	1.904	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)NCc1ccco1)c1ccccc1	122770790	OYCXWHKUYCUQEK-ZDUSSCGKSA-N	303.318	1.498	50	20	DDGD	
C[C@H]1CN(/C(=C/C#N)c2ccc(F)cc2)CCN1S(C)(=O)=O	181589023	IYZBVQBNHXJGQD-QNKXHIPISA-N	323.393	1.656	50	20	DDGD	
CC1(C)C[C@H](NC(=O)NNc2nc3ccccn3n2)C(C)(C)O1	189798836	LLBDZLLSWHJITM-JTQLQIEISA-N	318.381	1.702	50	20	DDGD	
C=CCC(CC=C)C(=O)NNC(=O)[C@H]1COc2ccccc2O1	121055637	VHVMFNSDBCLOCW-OAHLLOKOSA-N	316.357	1.742	50	20	DDGD	
C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NNC(=O)N(C)C	187429485	MORHYJWUJGBZON-QMMMGPOBSA-N	319.283	1.775	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)NNc2ccncc2)C1	180486942	BPVSWDPSJITIAB-OAHLLOKOSA-N	324.356	1.874	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)C1CCOCC1	78264136	SEFDTMWKBWXSDY-UHFFFAOYSA-N	312.753	1.536	50	20	DDGD	
Cc1c(C(=O)NNc2ccnc(F)c2)cnn1-c1ccncc1	182423060	HMDSPFJTFMZBQY-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
O=C(NNC(=O)c1cccnc1Br)c1cccnc1	132369134	JHPVPBNGBVGPGM-UHFFFAOYSA-N	321.134	1.314	50	20	DDGD	
Cn1cc(CCC(=O)NNc2ncnc3ccsc23)cn1	132942599	VTULUJBQYTZJGG-UHFFFAOYSA-N	302.363	1.501	50	20	DDGD	
COc1ncccc1NC(=O)C(=O)NNc1ccc(F)cc1F	131368722	NJXYRGOMWFWHCI-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2ccccc2)c(O)c1	80387612	FTBWTKCRRGFETK-UHFFFAOYSA-N	300.314	1.541	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCCCN1CCOCC1	193376930	UZZLVBIYDVUDOB-NTCAYCPXSA-N	317.364	1.571	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21	132361752	VDEMEMNIYLQJCA-USXIJHARSA-N	322.368	1.293	50	20	DDGD	
CCN(CC)CCNC(=O)NNC(=O)c1ccc(Cl)cc1	42845824	QIERNUXHZBOABB-UHFFFAOYSA-N	312.801	1.626	50	20	DDGD	
CC(=O)NNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	192864473	MRWPIJVQYYVUEO-GFCCVEGCSA-N	323.780	1.360	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNc3nc4ccccn4n3)[nH]n2)o1	191915210	QXZFLRNTLNOEMW-UHFFFAOYSA-N	323.316	1.778	50	20	DDGD	
COCc1cccc(NC(=O)C(=O)NNc2ccnc(F)c2)c1	190305012	VVVAGJFHHGFYGN-UHFFFAOYSA-N	318.308	1.449	50	20	DDGD	
CCCN1CC[C@H](CNC(=O)NNc2cncc(Cl)n2)C1	97257965	MZXFLOBXIVNRKR-SNVBAGLBSA-N	312.805	1.488	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=O)c1ccc(C#N)cc1	245200539	BMSGJFWUUPCDMA-JHJVBQTASA-N	314.389	1.581	50	20	DDGD	
Cn1c(=NNC(=O)COCC(F)(F)F)sc2ccccc21	252474853	NMFCMMFOPWVXNT-UHFFFAOYSA-N	319.308	1.751	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)c2ccc(C#N)cc2)c1C	263765473	DSHGZWRTABGFGY-UHFFFAOYSA-N	311.345	1.466	50	20	DDGD	
O=C(NNS(=O)(=O)N1CCCC1)c1cccc2ccccc12	266042137	PRARHWGESSOTSM-UHFFFAOYSA-N	319.386	1.415	50	20	DDGD	
CC(C)C[C@H](C)NC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	269898145	MIYNQQADSPNWGK-VIFPVBQESA-N	324.337	1.679	50	20	DDGD	
C[C@H](CO[C@@H]1CCOC1)NC(=O)NNc1c(F)cccc1F	267847675	DKPAOJBMWPLHRH-NXEZZACHSA-N	315.320	1.785	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)c1ccc(OC(C)(C)C)cc1	267481068	JFYLIDVPZILPIS-UHFFFAOYSA-N	321.377	1.150	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNc2ncccn2)C12CCCC2	266838157	WBIPPDITTVVXFS-NEPJUHHUSA-N	305.382	1.841	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNC(=O)C(C)(C)c1ccccc1	264565670	PRXTVKQGALOOLJ-UHFFFAOYSA-N	319.405	1.274	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CCC(CO)CC2)cc(C#N)n1C	269581948	RGHMMONFCHBSAG-VIZOYTHASA-N	312.373	1.343	50	20	DDGD	
CC[C@@H](C)Oc1ccc(C(=O)NNC(=O)NCCCOC)cc1	267306283	ALSFUFRRFWJQIY-GFCCVEGCSA-N	323.393	1.844	50	20	DDGD	
CC#CCNC(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	278289632	ZSNIUJGTXHFPAG-SNVBAGLBSA-N	309.753	1.461	50	20	DDGD	
COC(C)(C)CC(=O)NNC(=S)Nc1ccc(N(C)C)cc1	278785308	MDEQRXJLYRPKDM-UHFFFAOYSA-N	324.450	1.885	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cnn2c1OCCC2	366321670	HUCYZNMAIJECDA-UHFFFAOYSA-N	303.278	1.331	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccnc(OCC(F)F)c1	270209500	GDQNMEONUKTFGJ-UHFFFAOYSA-N	301.293	1.533	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNC(=O)NOC1CCCC1	271700647	HIQAREANCKPGGW-UHFFFAOYSA-N	318.333	1.142	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1nnn(CC2CCCC2)c1C	279692212	IMOPJLRBKJNPAT-UHFFFAOYSA-N	308.386	1.083	50	20	DDGD	
Cc1cc(C(F)(F)F)nn1CC(=O)NNC(=O)OC(C)(C)C	289493394	JQASUTHUCYDZHL-UHFFFAOYSA-N	322.287	1.766	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1C[C@H]1c1cc(OC)ccc1OC	286442826	RVFYRASSGARZSZ-JQWIXIFHSA-N	308.334	1.537	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(C)[C@@H](Cc2ccccc2)C1	285794047	PGBPKYMQHIZLLA-ZQHZRZASSA-N	313.401	1.816	50	20	DDGD	
Cn1ncc2c1C[C@H](C(=O)NNC(=O)Nc1ccccc1)CC2	282650834	ARUFLZXEIHAJCD-LLVKDONJSA-N	313.361	1.378	50	20	DDGD	
CCOCC(C)(C)CNC(=O)NNC(=O)Cc1cccnc1	288617023	OBUHBQVDLQOIOH-UHFFFAOYSA-N	308.382	1.017	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NNc2nc(O)c3ccccc3n2)O1	282172657	KVTAVJGCKQTKPY-KBVBSXBZSA-N	302.334	1.592	50	20	DDGD	
C[S@](=O)C1(CNC(=O)NNc2cccc([N+](=O)[O-])c2)CC1	281917982	JGLZDHXDSKNHTE-NRFANRHFSA-N	312.351	1.132	50	20	DDGD	
O=C(NNC(=O)c1cccnc1F)c1cc2c(s1)CCC2	806342869	SOCPYPKJURXLJB-UHFFFAOYSA-N	305.334	1.846	50	20	DDGD	
CCC[C@H](OC)C(=O)NNc1ncc(C(=O)OCC)c(C)n1	294839943	BKDDNGXOMSZIDE-NSHDSACASA-N	310.354	1.220	50	20	DDGD	
Cc1cc(CCC(=O)NNc2nnc[nH]2)ccc1Br	294023065	VAPGBBVXYZSMEE-UHFFFAOYSA-N	324.182	1.952	50	20	DDGD	
COc1ccccc1O[C@@H](C)CNC(=O)NNc1ccncn1	296439724	LBQOYIPAWZIJLA-NSHDSACASA-N	317.349	1.579	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	296321032	XDRCKUKZUPBHEN-ZDUSSCGKSA-N	305.334	1.611	50	20	DDGD	
CSSCCNC(=O)N1CCN(C[C@H]2CCOC2)CC1	807226981	WGOYGIOVUORAAJ-GFCCVEGCSA-N	319.496	1.361	50	20	DDGD	
O=C(CCNC(=O)C1CCCCC1)NNc1ncccc1F	804213787	QIWHMGISCQCHKO-UHFFFAOYSA-N	308.357	1.750	50	20	DDGD	
CCC[C@H](C)N(C)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	297856787	LQJNKNXWSDKBSK-NSHDSACASA-N	322.365	1.476	50	20	DDGD	
O=C(CCc1ncc[nH]1)NNC(=O)c1cc(Cl)ccc1O	806355182	PMWZNMVGFYWXTR-UHFFFAOYSA-N	308.725	1.163	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cc(Br)ccc1O	299255225	QUKXRUHMZGHNTA-UHFFFAOYSA-N	301.140	1.572	50	20	DDGD	
Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNC(=O)Nc1ccccc1	801989121	GDEJIUZHDPJMRV-SNVBAGLBSA-N	315.377	1.993	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CCC(=O)NNc1cccc(Cl)n1	293704745	NRXPDJLNROUTFG-UHFFFAOYSA-N	324.728	1.682	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ncoc2C2CC2)cc1	294931366	CBJBQNLWLNFARZ-UHFFFAOYSA-N	314.345	1.734	50	20	DDGD	
O=C(NNC(=O)[C@@H]1OCCc2ccccc21)[C@@H]1CCCCO1	295675787	XMRBLGXLKMYSOS-UONOGXRCSA-N	304.346	1.017	50	20	DDGD	
CC(C)OCCC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	298362573	TWAODMJZONFAKZ-LLVKDONJSA-N	312.341	1.556	50	20	DDGD	
CCc1nocc1CN(C)CC(=O)NNC(=O)c1ccccc1	293405547	LYYMQIZBUZJKMY-UHFFFAOYSA-N	316.361	1.130	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)COCC2CC2)c1C	298518814	WNXBBJIOCMILRB-ZDUSSCGKSA-N	320.389	1.645	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)Cc1cc[nH]n1)O[C@@H](C)C2	814955107	URSMPNHBKRQVAG-JTQLQIEISA-N	314.345	1.435	50	20	DDGD	
C[C@](C#N)(CC(=O)O)C(=O)NNC(=O)Cc1ccc(Cl)cc1	819846406	CKIIWRCAEBJZPP-CQSZACIVSA-N	323.736	1.034	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)[C@@H]1C[C@H](CC(=O)O)C1(C)C	814793724	LQWOZTYQDZEKHX-MNOVXSKESA-N	304.350	1.719	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(OC)cc1OC(F)F	816561325	SYEZRJWIVZZAKI-UHFFFAOYSA-N	304.293	1.520	50	20	DDGD	
CCC(=O)N1CCC[C@H](C(=O)NNc2cccc(Cl)n2)C1	817006171	YZMUHJWFXOFZPA-JTQLQIEISA-N	310.785	1.827	50	20	DDGD	
Cc1cc(C)c(C(=O)O)cc1C=NNC(=O)Cc1cc[nH]n1	814955009	UCDQXOFWTIKOLA-UHFFFAOYSA-N	300.318	1.418	50	20	DDGD	
O=C(NCCc1cn[nH]c1)NNC(=O)c1cccc2ccccc12	811884379	GBYBCLLOXNCFME-UHFFFAOYSA-N	323.356	1.750	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)COc1ccc(C)c(C)c1	812444444	AKAHGNANLUTGED-KBPBESRZSA-N	322.405	1.748	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)Cc2cc[nH]n2)[C@H](n2cncn2)C1	814953678	LVSDUWBRZHZEAO-ZWNOBZJWSA-N	301.354	1.077	50	20	DDGD	
O=C(C[C@H](c1ccccc1)c1ncc[nH]1)NNc1ncccn1	816849205	UADUGZGSCXDGIH-CYBMUJFWSA-N	308.345	1.865	50	20	DDGD	
O=C(NNC(=O)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1)C1CCCC1	811910071	SVBXNKNRCVWEAY-UONOGXRCSA-N	321.421	1.951	50	20	DDGD	
O=C(CO)NN=Cc1c(Cl)nc(Cl)n1-c1ccccc1	814896414	XGQAEPOJKHYLMG-UHFFFAOYSA-N	313.144	1.622	50	20	DDGD	
CCOc1ccc(NNC(=O)C[C@@H]2C=CS(=O)(=O)C2)cc1	817879968	VDAHJWLYVWJTIT-NSHDSACASA-N	310.375	1.477	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)[C@@H]1CCCN1c1ncccn1	817008117	FPAYXHFFPILHFF-JTQLQIEISA-N	318.768	1.637	50	20	DDGD	
COc1ncc(C=NNC(=O)COc2cccc(C)c2)s1	812222554	PYBWTDVOQKGORV-UHFFFAOYSA-N	305.359	1.989	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C2CCC2)c([N+](=O)[O-])cc1F	823247537	QBXSACYGAOMRIT-UHFFFAOYSA-N	311.269	1.304	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(C2CC2)nn1-c1ccccc1	823838725	UYSQVVKZUJHILA-UHFFFAOYSA-N	314.389	1.709	50	20	DDGD	
Cc1c(CC(=O)NNc2ccc(Br)nc2)cnn1C	825818618	ASQOYSFCYCFGPV-UHFFFAOYSA-N	324.182	1.572	50	20	DDGD	
C[C@H](O)CN(Cc1ccccc1)C(=O)/C(C#N)=C\c1cnn(C)c1	491128816	FODLRBXVIVEGNE-RHUPODBASA-N	324.384	1.737	50	20	DDGD	
COC(=O)NCC(=O)NNc1ccccc1OC(F)(F)F	495497115	JILODJREDNTVIS-UHFFFAOYSA-N	307.228	1.384	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)c1cscn1	728456188	FWXRCQGWBHBVLX-UHFFFAOYSA-N	321.358	1.382	50	20	DDGD	
CN(Cc1cnn(-c2ccccc2)n1)S(=O)(=O)CCl	829994107	RDFFDLZIARKXDD-UHFFFAOYSA-N	300.771	1.225	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CC[C@](C(N)=O)(c2ccccc2)C1	491137180	WRVHNUJJGAVFCW-MLFXKNMZSA-N	313.357	1.086	50	20	DDGD	
O=C(NNc1ncccc1F)c1cccc(N2CCOC2=O)c1	495764981	SCMQKJOYCZTJNR-UHFFFAOYSA-N	316.292	1.934	50	20	DDGD	
O=C(/C=C\C1CCOCC1)NNC(=O)c1ccc(Cl)nc1	491847828	MRCWIBXQTMPNHL-RJRFIUFISA-N	309.753	1.479	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)NC2CCCC2)C[C@H]1Br	906439338	YQRSVYRZZHHPNG-KCJUWKMLSA-N	304.188	1.433	50	20	DDGD	
O=C(NCC(Cl)Cl)c1cc2c(nc1O)CCC[C@H]2O	822913773	MCBUKKKUTODBJU-SECBINFHSA-N	305.161	1.690	50	20	DDGD	
CCO[C@H](CNCc1ccc(B(O)O)cc1F)c1ccccc1	585038548	HUIACYLGQWBGDG-QGZVFWFLSA-N	317.169	1.373	50	20	DDGD	
C/C(C=NNC(=O)[C@H](C)NS(C)(=O)=O)=C\c1ccccc1	728436791	SOXCOPGSBRXYQF-MDCQDYNGSA-N	309.391	1.130	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCc3cc(F)c(F)c(F)c32)cc1	585044798	UQNMWSDYGLROHQ-CYBMUJFWSA-N	321.107	1.561	50	20	DDGD	
CCO[C@H](C)C(=O)NNC(=S)Nc1ccc(OC)c(F)c1	822645252	UZUSWQSLEGLKJO-MRVPVSSYSA-N	315.370	1.577	50	20	DDGD	
C=C(CI)n1cc(CC[C@@H](C)O)nn1	900641456	UYJJFYIVORITND-MRVPVSSYSA-N	307.135	1.497	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCc1cccc(F)c1	825566767	OHFYDQQZZQWVLV-ZWNOBZJWSA-N	309.341	1.124	50	20	DDGD	
CC(C)(C)[C@H](NC(=O)NNC(=O)c1cc[nH]n1)C(F)(F)F	822713818	XVRVPTKQILWUAU-QMMMGPOBSA-N	307.276	1.331	50	20	DDGD	
CC(=O)N1CCC(NC(=O)/C(C#N)=C/c2ccc(O)cc2)CC1	491129926	HZBVUZUADFLUGG-GXDHUFHOSA-N	313.357	1.426	50	20	DDGD	
Cc1ccccc1-n1ncc(C(=O)N2CC[C@H](B(O)O)C2)c1C	585074751	CKAWJBAQURTMEQ-ZDUSSCGKSA-N	313.166	1.178	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1cc(F)ccc1Cl	901965340	CGKJAPXZFUOACJ-UHFFFAOYSA-N	318.757	1.592	50	20	DDGD	
C[C@@H]1C[C@H]1[C@@H](NCc1ccc(B(O)O)cc1F)c1ccccc1	585023972	RIKDOJWXCNTJQK-NJAPINKUSA-N	313.181	1.992	50	20	DDGD	
O=C(CCCN1C(=O)CCC1=O)NNc1c(F)cccc1F	735700364	MKRJZTTVKIPXDV-UHFFFAOYSA-N	311.288	1.337	50	20	DDGD	
O=C(NN=C1CCN(C(=O)O)CC1)c1cc([N+](=O)[O-])ccc1O	739453019	ACZOMCPBWCTASG-UHFFFAOYSA-N	322.277	1.160	50	20	DDGD	
CC[C@H](COC)NC(=O)NNC(=O)c1cc2c(s1)CCC2	738502797	LJJYQUJNCYZREM-SNVBAGLBSA-N	311.407	1.606	50	20	DDGD	
COc1ccc(Cl)cc1CCNCc1ccccc1B(O)O	585024549	XNHGVAGARGVZEL-UHFFFAOYSA-N	319.597	1.361	50	20	DDGD	
COCC(COC)OC(=O)/C(C#N)=C\c1ccc(OC)cc1	908710506	PKEMWGAMJUSGFL-JYRVWZFOSA-N	305.330	1.807	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc2c(c1)N(C)CC2	831616939	YRQWVPYVSWBQNO-GXFFZTMASA-N	318.377	1.257	50	20	DDGD	
CON(C)C(=O)CCC(C)=NNC(=O)Cc1nc(C)cs1	834932308	AFCNQGSMUGLMOY-UHFFFAOYSA-N	312.395	1.286	50	20	DDGD	
CC(C)(O)C(C)(C)CNC(=O)NNC(=O)c1ccccc1F	836430381	ZHEASSZZESWJGH-UHFFFAOYSA-N	311.357	1.567	50	20	DDGD	
CC[C@]1(C)CCCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1	584959699	DAPRKMYRPOLDOC-MRXNPFEDSA-N	307.174	1.548	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C[S@](=O)c1ccc(Cl)cc1	900221041	INUWINWVFPGECM-FQEVSTJZSA-N	316.810	1.641	50	20	DDGD	
COc1cccc(NNC(=O)NCCc2nccnc2C)n1	836486853	JGMMOPUPDNNRMY-UHFFFAOYSA-N	302.338	1.057	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CC1CC(F)(F)C1	838264655	RSOCJPJLLQCYIG-VIFPVBQESA-N	320.336	1.547	50	20	DDGD	
CN(C)c1cccc(CNC(=O)[C@@]2(C)C[C@H]2Br)n1	907125171	HVQUTHJSPVJCMJ-MFKMUULPSA-N	312.211	1.937	50	20	DDGD	
CC(F)(F)CNC(=O)NNC(=O)CSc1ccccc1O	836478927	APLWQFOMDIAWNC-UHFFFAOYSA-N	319.333	1.470	50	20	DDGD	
C[C@@H]([C@H]1Cc2ccccc21)N(C)C(=O)c1ccc(B(O)O)cc1	585007944	DELNEELNLJQWNZ-YVEFUNNKSA-N	309.174	1.167	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2c(C)cnn2C)cc1C	839456253	MDRNNPPMBMGZSO-UHFFFAOYSA-N	316.361	1.185	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21	837624336	ZKSSYMZGQXEWPN-DXUDUQDWSA-N	321.421	1.711	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)NC[C@H](C)S(C)(=O)=O	838527483	RMQZSWDAZSZNHF-VIFPVBQESA-N	319.814	1.708	50	20	DDGD	
O=C(NN=C1CCN(c2ccccn2)CC1)[C@H]1CCCCO1	834988450	JXFUARKMEDUMHP-CQSZACIVSA-N	302.378	1.723	50	20	DDGD	
O=C(NN=Cc1cccc(O)c1O)c1ccc2c(c1)OCO2	916289461	RJGOANVFANDEAD-UHFFFAOYSA-N	300.270	1.590	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc([N+](=O)[O-])cc1	831677759	IHDVRKZIEPGLCR-LDYMZIIASA-N	308.294	1.173	50	20	DDGD	
NC(=S)c1ccc(C(=O)NNC(=O)c2ccccc2F)cc1	918678893	SLRQHEYDJNYDQG-UHFFFAOYSA-N	317.345	1.535	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1	830278386	JQRJOWHRPJLSGT-YYFQZIEXSA-N	305.422	1.322	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)[C@H]1C[C@H]2CC[C@H]1O2	834917556	DXCHFBHQCNXKMA-JXFSHQFZSA-N	316.357	1.886	50	20	DDGD	
CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NN	916665713	DQSLQCHWHIHZQD-AWEZNQCLSA-N	321.402	1.133	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)[C@H](C)CN2CCCCC2)[nH]1	747629572	GGIKNDHLMYNLSP-GFCCVEGCSA-N	320.393	1.373	50	20	DDGD	
O=C(NNc1ccc(F)cc1Cl)N[C@@H]1CCS(=O)(=O)C1	913833780	LPERVTXXMVGGAI-MRVPVSSYSA-N	321.761	1.292	50	20	DDGD	
Cn1nc(C(=O)NN=Cc2cscn2)c2ccccc2c1=O	918709485	MIELPTWTBWXRJL-UHFFFAOYSA-N	313.342	1.154	50	20	DDGD	
C[C@@H]1c2c(F)cccc2CCN1CC(=O)NNC(=O)C(C)(C)C	744404170	JCVZQVULCBUJFT-LLVKDONJSA-N	321.396	1.938	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CC(F)(F)C(F)(F)C2)n1	841586072	OWJJCZRPBBRUNQ-UHFFFAOYSA-N	320.246	1.331	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc(OC)cc1OC	916355762	YCJNBLVNTOBMFU-UHFFFAOYSA-N	307.394	1.886	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1c(Cl)nc2ccccn12	916357871	PGDDHWYNSGXCNN-UHFFFAOYSA-N	319.752	1.060	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H](C)Cc1ccc(C#N)cc1	847392130	MTANSAJPFOPRHR-LBPRGKRZSA-N	302.378	1.867	50	20	DDGD	
COc1ccccc1[C@@H](C)CC(=O)NNc1nccn(C)c1=O	747942450	WHXBGQBNKKTSTK-NSHDSACASA-N	316.361	1.426	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COCC[C@@H]1c1ccccc1)C1CCC1	841392010	PHADYJHUIYXCGH-HUUCEWRRSA-N	302.374	1.754	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCO2)c1cnc(C)nc1C	741453353	PQDGJHMOSSITJW-UHFFFAOYSA-N	312.329	1.976	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2ncnc3ccsc23)CCN1	841986980	OHUODOVECHFUOC-IUCAKERBSA-N	306.395	1.458	50	20	DDGD	
CCOCC(=O)NN=Cc1cn(-c2cccc(F)c2)nc1C	841622670	AQMVXXOTJWZIDB-UHFFFAOYSA-N	304.325	1.806	50	20	DDGD	
C[C@@H](Cc1cnc[nH]1)C(=O)NNc1nccnc1C1CCC1	848070198	JOBKYNYZHSTCLS-JTQLQIEISA-N	300.366	1.789	50	20	DDGD	
CC[C@@H](Oc1ccccc1F)C(=O)NNc1nccn(C)c1=O	748422609	FDEDZOYHPYLFNF-LLVKDONJSA-N	320.324	1.220	50	20	DDGD	
CC(=NNC(=O)Cn1nc(C)cc1C)c1cc(F)ccc1O	916345208	POFWHLSDHTXKHC-UHFFFAOYSA-N	304.325	1.885	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(C)c1OC	843655920	OJFHNXUIYPUNNQ-CMPLNLGQSA-N	322.361	1.198	50	20	DDGD	
Nc1cc(C(=O)NN=Cc2ccc(O)cc2)cc([N+](=O)[O-])c1	916345236	QYUQRGYGXXNJAG-UHFFFAOYSA-N	300.274	1.647	50	20	DDGD	
CC(C)CNC(=S)NNC(=O)[C@H](C)Oc1ccccc1F	916123715	QHCQIAGBZCXORR-JTQLQIEISA-N	313.398	1.744	50	20	DDGD	
CC(CCc1ccco1)=NNC(=O)c1ccc(-n2cnnn2)cc1	917028805	UPLDVOKCUHEEJU-UHFFFAOYSA-N	324.344	1.994	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=C1CC[C@H]2CCCC[C@@H]2C1	743448041	WAINXZOFQVEUQI-GHMZBOCLSA-N	318.377	1.893	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNC(=O)COc1ccccc1F	849185996	JIPPNHSSVZQXJS-UHFFFAOYSA-N	320.324	1.016	50	20	DDGD	
CO[C@H](CS(=O)(=O)NNC(=O)NC(C)C)C1CCCCC1	849307200	LPSDTMUKCDPJIP-GFCCVEGCSA-N	321.443	1.124	50	20	DDGD	
CCn1ccc(C(=O)NNC(=O)CCc2ccccc2O)n1	844133149	SDCRCRPYNSKFMN-UHFFFAOYSA-N	302.334	1.002	50	20	DDGD	
CO[C@](C)(C1CC1)[C@@H](C)NS(=O)(=O)CBr	841561683	SOTBDPHEBKASCN-APPZFPTMSA-N	300.218	1.462	50	20	DDGD	
C/C(=C\C(=O)OCC(=O)NNC(=O)c1cccc(C)c1)C1CC1	744828109	JNMSVKJNWSDGHP-FMIVXFBMSA-N	316.357	1.656	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CNc1cccc(Cl)c1	843971139	AZNRPYJAEDJBAV-BXKDBHETSA-N	311.769	1.324	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1ccc(C2CC2)cc1	841615157	XAOLRAAWERJCEW-AWEZNQCLSA-N	315.417	1.982	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccc3c(c2)COC3)o1	755475413	WGKXEHSNGQIRJN-UHFFFAOYSA-N	300.314	1.622	50	20	DDGD	
Cc1c(CCC(=O)NNC(=O)c2cccc(Cl)n2)cnn1C	857323233	GNJOJIZYBWNTBP-UHFFFAOYSA-N	321.768	1.171	50	20	DDGD	
C[C@@H](C#N)N(CC(=O)NNC(=O)c1cccc(Cl)c1)C1CC1	852480916	XBFINLFIDQCYDG-JTQLQIEISA-N	320.780	1.477	50	20	DDGD	
O=C(NCc1cccnc1N1CCCC1)NNC(=O)C1CCC1	852474275	NGKRAVDGIJUNEZ-UHFFFAOYSA-N	317.393	1.312	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)on1	753981498	LTDLEFIGSCYORA-QMMMGPOBSA-N	323.280	1.051	50	20	DDGD	
CCOC(=O)NNC(=O)c1cnc(Br)c(C)c1	929188445	DWMCZXIWWTZEFJ-UHFFFAOYSA-N	302.128	1.543	50	20	DDGD	
CCn1ccc(CNC(=O)NC[C@]2(C)C[C@@H]2Br)n1	856863348	ILBWUKRVGMBBCS-JQWIXIFHSA-N	315.215	1.876	50	20	DDGD	
CCN(CCc1ccccc1)C(=O)NNC(=O)c1cn[nH]c1	858704732	WJWHOMYKIRFGIZ-UHFFFAOYSA-N	301.350	1.329	50	20	DDGD	
O=C(NCCCn1cncn1)NNc1cc(F)cc(Cl)c1	853291831	KIRCFUSBIQMCAC-UHFFFAOYSA-N	312.736	1.787	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C2CCCN(C)CC2)c1	758099298	IWSOKCCAINOICA-UHFFFAOYSA-N	305.378	1.905	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H]2C[C@@H](OC(C)C)C2)c1	858533930	WCIKJLSAUMHVAU-PHIMTYICSA-N	311.407	1.957	50	20	DDGD	
CCO[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1cccc(F)n1	852708757	CDXFOJIDSCRDPY-ZYHUDNBSSA-N	324.356	1.512	50	20	DDGD	
Cc1nn(C)c(C)c1[C@@H](C)C(=O)NN=c1cc[nH]cc1Cl	757419980	BVGWDZDDFHKYHJ-MRVPVSSYSA-N	307.785	1.754	50	20	DDGD	
COCCCn1ccc(NC(=O)NNC(=O)CC(F)(F)F)n1	756661151	YPAQWFFPONTTMY-UHFFFAOYSA-N	323.275	1.025	50	20	DDGD	
C[C@H]1C[C@H]1C=NNC(=O)Cc1csc(N2CCOCC2)n1	758374336	RMSCRMWFOVWJCM-QWRGUYRKSA-N	308.407	1.280	50	20	DDGD	
CC(C)(C)OC(=O)CCC(=O)NNc1ncc(Cl)cn1	857357762	CFTHJGAJNZUZHR-UHFFFAOYSA-N	300.746	1.695	50	20	DDGD	
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@]1(C)C[C@@H]1Br	856752158	IHENNYMRKFJRCN-UTLUCORTSA-N	324.244	1.086	50	20	DDGD	
C[C@H]1COC[C@@H]1NC(=O)NNC(=O)Cc1c[nH]c2ccccc12	925992967	SUDJUPHOQXEFJV-HZMBPMFUSA-N	316.361	1.076	50	20	DDGD	
Cc1cn2ccnc(C(=O)NC[C@@]3(C)C[C@H]3Br)c2n1	857391121	LLMNMQVYXASRMM-NOZJJQNGSA-N	323.194	1.941	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1ccc(C#N)cc1	758389154	HEXKRXKNBHMEPL-UHFFFAOYSA-N	307.313	1.432	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1c(F)cc(F)cc1F	756801451	LTYXRFCGGMTTPN-UHFFFAOYSA-N	311.223	1.360	50	20	DDGD	
CCc1nocc1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	854217214	LCSXMJMOMIENIH-VIFPVBQESA-N	321.308	1.605	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(C)o2)c2c(C)n[nH]c2n1	752781508	ZZJDGEMYZXLJAM-UHFFFAOYSA-N	313.317	1.551	50	20	DDGD	
Cn1ncc(C(=O)NC[C@]2(C)C[C@H]2Br)c1Cl	857385507	IPFLCZSNZMUMIE-XCBNKYQSSA-N	306.591	1.977	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1	858781613	GCGRAYMLNVHBDX-CYBMUJFWSA-N	324.812	1.655	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(NC(=O)NC(C)C)cc1	854925895	PBANYZAXVOTMGN-UHFFFAOYSA-N	323.422	1.297	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cc1csc2nccn12)C1CC1	855099213	ULHQVHSEAXZDAQ-QMMMGPOBSA-N	323.447	1.232	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Nc2ccc(F)nc2)c1O	757719066	FJFDPEXYHMUGQB-UHFFFAOYSA-N	320.280	1.401	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)Nc2ccsc2)C[C@H]1Br	857006335	WCTKRGNJRHWXHF-LDYMZIIASA-N	317.208	1.976	50	20	DDGD	
Cc1cc(C)n(CCCC(=O)NNC(=O)NC2CCCC2)n1	930965512	MPFKAEBYZXIVID-UHFFFAOYSA-N	307.398	1.553	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2nc(C)cs2)cc1	755505917	XBZLXJAOSKZKKK-UHFFFAOYSA-N	305.359	1.989	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cn[nH]c2)c1OC(C)C	862466749	JOGBYRHTYDYXGP-UHFFFAOYSA-N	318.333	1.280	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1cc(C)cs1	862477104	GHFBNYKCWYUBBB-LLVKDONJSA-N	323.418	1.609	50	20	DDGD	
CCC[C@@H](C(=O)NNC(=O)COCCOC)c1ccccc1	869913445	GICQYGRCFPKRAT-CQSZACIVSA-N	308.378	1.381	50	20	DDGD	
CC(=NNC(=O)c1ccc(-n2cnnn2)cc1)c1cncc(C)c1	767367192	IAFLPRIXJGUMLR-UHFFFAOYSA-N	321.344	1.520	50	20	DDGD	
C[C@@H]1CN(C)CC1=NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	764815561	RCCSTPCNLMTWCJ-SNVBAGLBSA-N	315.352	1.883	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1n[nH]c2cc(C(=O)O)ccc12	765499566	KEYUFWCDLLPJRM-JXMROGBWSA-N	315.285	1.358	50	20	DDGD	
C[C@H]1CCCN(C(=O)C(=O)NNCC(F)(F)C(F)(F)F)C1	863099013	CVRYWBWCUFUUFN-ZETCQYMHSA-N	317.258	1.063	50	20	DDGD	
COCCCOc1ccc(C(=O)NN[C@@H](C)C(F)(F)F)cn1	862312735	SQLLJOFLZGUVMT-VIFPVBQESA-N	321.299	1.682	50	20	DDGD	
CC(C)[C@H]1C[C@@H](C(=O)NNC(=O)Cc2ccncc2)CCO1	934041894	LJUANQCXMIWVRV-UONOGXRCSA-N	305.378	1.223	50	20	DDGD	
C[C@]1(CNc2ccccc2S(N)(=O)=O)C[C@H]1Br	865961859	XUNWBSDXAACYHL-GHMZBOCLSA-N	319.224	1.919	50	20	DDGD	
COc1cc(C(=O)NNC(=S)NCC2CCC2)sn1	862151168	MSTNYRJIRAUMMP-UHFFFAOYSA-N	300.409	1.061	50	20	DDGD	
O=S(=O)(c1ccc(CCCCl)cc1)N1C[C@@H]2C[C@H]1CN2	866789401	ICPRHYWKQINLTE-STQMWFEESA-N	314.838	1.593	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)Cc2ccccc2OC)c1C	868432099	YKWIPNDNZSHWQF-UHFFFAOYSA-N	316.361	1.224	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)c1c[nH]nc1C	767994862	SUAOXHSGXGIDCD-YPMHNXCESA-N	308.382	1.465	50	20	DDGD	
O=C1NCC[C@@]1(C(=O)NNc1ccc(Cl)nc1)C1CCCC1	863892580	AXPDLLIUEBRQDS-OAHLLOKOSA-N	322.796	1.875	50	20	DDGD	
Cc1nn(CC(F)F)c(C)c1C(=O)NNC(=O)c1ccccc1	760620669	LGODNOGTGDMPRK-UHFFFAOYSA-N	322.315	1.840	50	20	DDGD	
Cc1nnc(-c2ccccc2C(=O)NNC(=O)c2ccc[nH]2)o1	764598240	FFCYQRUNEKBGFC-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
CCO[C@H](CC(=O)NNC(=O)COc1ccccc1O)C(C)C	760550998	GYCAZKBPWGXOOG-CQSZACIVSA-N	324.377	1.370	50	20	DDGD	
O=C(CCc1cccnc1)NNC(=S)Nc1ccccn1	768584715	VPQQJBMXYVGQLI-UHFFFAOYSA-N	301.375	1.427	50	20	DDGD	
COc1cc(O)ccc1C=NNC(=O)c1ccnc(N(C)C)c1	1116018548	KWGCYAHYNDKQQK-UHFFFAOYSA-N	314.345	1.626	50	20	DDGD	
O=C(O)CC1(CC(=O)NNC(=O)c2ccccn2)CCCC1	767158935	WPNWTWCWTMVTIF-UHFFFAOYSA-N	305.334	1.268	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H]1CCO[C@H]1c1ccc(O)nc1	1118949080	KOWXYMXVWWPZSI-KRFXKNSESA-N	303.318	1.177	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@](C)(O)C1CC1	873769199	MJTLBJFXGURPAZ-CQSZACIVSA-N	309.391	1.174	50	20	DDGD	
COC(=O)c1cnc(C(=O)NNc2ccc3ccccc3n2)cn1	779676492	BARJXSCHNDBFEQ-UHFFFAOYSA-N	323.312	1.568	50	20	DDGD	
CSSCCNC(=O)N[C@H]1Cc2ccccc2NC1=O	875570218	ZCAACNRCTUDYRE-NSHDSACASA-N	311.432	1.860	50	20	DDGD	
COCCOCC(=O)NN=C1CC[C@@H](C(=O)O)C(C)(C)[C@@H]1C	872400709	PNFSVLIVJFENPV-MNOVXSKESA-N	314.382	1.279	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)/C=C(/C)c1ccc(F)cc1	772048443	NMRADXFSHLRLFY-JUDLJHIGSA-N	322.336	1.718	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNc1ccc(F)c([N+](=O)[O-])c1	771595932	LVYGPDVDBMLAPN-UHFFFAOYSA-N	313.285	1.766	50	20	DDGD	
CC(=O)N(C)c1ccc(CNC(=O)NNC(=O)CC(C)C)cc1	875828446	ZAPRTJNAHHNUPM-UHFFFAOYSA-N	320.393	1.546	50	20	DDGD	
COCC1(CC(=O)NNC(=S)Nc2ccc(OC)nc2)CC1	874954715	AXZRIGZHYKRGIQ-UHFFFAOYSA-N	324.406	1.225	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2ccc(C#N)cc2)o1	1116320446	JZZJVERGCAJWRC-UHFFFAOYSA-N	313.269	1.013	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](F)c1ccccc1	772362943	GPAIYYVYTNDBGB-SMDDNHRTSA-N	324.352	1.822	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCO2)Nc1ccc(F)cn1	775730465	LCMNVBZNFMNVJZ-UHFFFAOYSA-N	318.264	1.416	50	20	DDGD	
C#C[C@H](NC(=O)c1c(C)nn(CCCl)c1C)[C@@H]1CCCO1	775328797	NVUFXGJTKCWAHZ-STQMWFEESA-N	309.797	1.649	50	20	DDGD	
CCn1cc(CNC(=O)C2CCC(Cl)CC2)c(O)nc1=O	1123969353	NJANSNLQFQVLPJ-UHFFFAOYSA-N	313.785	1.383	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCC2([C@@H](C)CCO)CCC2)n1	776333250	HHILAXBAHHBGJT-NSHDSACASA-N	321.425	1.908	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CC(N2CCCC2=O)C1	888754238	GXRONFFZPOKEKA-LLVKDONJSA-N	317.227	1.629	50	20	DDGD	
O=S(=O)(CCCCl)N1CC[C@H](n2cc(Cl)cn2)C1	882209825	GDFWCZIVKBHXBY-JTQLQIEISA-N	312.222	1.742	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CCc2ccc(O)nc2)c1	787318517	XLMQVFDSDCGZGI-UHFFFAOYSA-N	310.313	1.053	50	20	DDGD	
COCC(=O)NN=Cc1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1	781124906	GHHGAIOPUXVAKB-UHFFFAOYSA-N	316.405	1.974	50	20	DDGD	
COC1CCC(C(=O)NNC(=O)c2ccc(Cl)nc2)CC1	780376585	FIXXZEYJQUAQRH-UHFFFAOYSA-N	311.769	1.701	50	20	DDGD	
O=C(NCc1ccc(F)cc1F)NNC(=O)C1CCOCC1	883232524	LTTHHCCRRNDZLX-UHFFFAOYSA-N	313.304	1.222	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)Nc1ccccc1Cn1cncn1	781027817	VPPRPURDNQEDEW-UHFFFAOYSA-N	309.333	1.292	50	20	DDGD	
O=C(NCC1CC1)NN=C1CCOC[C@H]1CN1CCCCC1	787153937	SEOBHVQEGUPLSZ-CQSZACIVSA-N	308.426	1.574	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)c2ccccc2OC)nc1	789941269	PXDDPYRUSFKUBM-UHFFFAOYSA-N	315.329	1.103	50	20	DDGD	
COc1ccc(NNC(=O)Nc2ccc(C)c(C(N)=O)c2)nc1	782031426	HUJCDAPZXZOKEE-UHFFFAOYSA-N	315.333	1.646	50	20	DDGD	
CC(C)CCO[C@@H](C)C(=O)NNc1ccc(-n2ccnc2)nn1	788181056	KDDCTMRFKOMFMI-LBPRGKRZSA-N	318.381	1.557	50	20	DDGD	
Cc1nn(C)c(NC(=O)C(=O)NNc2ccc(F)cc2)c1C	784789698	MMDIORVOSOBUKO-UHFFFAOYSA-N	305.313	1.258	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)NCc2ccc(Cl)cc2)CO1	784150432	QJURMRUVDZNFBE-MWLCHTKSSA-N	311.769	1.595	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccn1Cc1ccncc1	780710210	YUIUOQWSZPNATP-UHFFFAOYSA-N	301.350	1.238	50	20	DDGD	
Cc1noc(C2CC2)c1C(=O)NNC(=O)Cc1ccncc1	784057582	RLAYIJNGTBMRKI-UHFFFAOYSA-N	300.318	1.259	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)c1	787194847	IXFZPUGMLVLRLO-NXEZZACHSA-N	321.768	1.341	50	20	DDGD	
O=C(NNc1ncncc1Cl)N[C@@H]1CCC[C@@H]2OCC[C@@H]21	781002659	JKLMWFVAKVNARV-IEBDPFPHSA-N	311.773	1.714	50	20	DDGD	
COc1cccc(C=NNC(=O)CNc2ccccc2F)n1	790144323	NYOWXFMPGMKWFV-UHFFFAOYSA-N	302.309	1.792	50	20	DDGD	
COc1cccc(C=NNC(=O)[C@@H](C)CN2CCCCC2)n1	790149984	RXFKNEUOJRTUNM-ZDUSSCGKSA-N	304.394	1.662	50	20	DDGD	
COc1cccc(C=NNC(=O)[C@@H](C)CN2CCOCC2)c1F	799872671	BWKYRGNLZOSHRA-LBPRGKRZSA-N	323.368	1.253	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)CCOCC(F)F)o1	790533647	DUWMPKROHASLJO-UHFFFAOYSA-N	302.281	1.785	50	20	DDGD	
CN1CC[C@H](N(C)S(=O)(=O)c2ccc(CCl)cc2)C1=O	708525495	VUQNDFBVABFIBL-LBPRGKRZSA-N	316.810	1.277	50	20	DDGD	
N#Cc1ccc(C[C@H](C#N)C(=O)NNC(=O)c2ccccn2)cc1	792006332	RQLMASVWGOBVQH-CQSZACIVSA-N	319.324	1.097	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cncc(F)c1	799260211	QJUWZDSIHDWGPS-UHFFFAOYSA-N	319.252	1.211	50	20	DDGD	
COC(=O)C(=O)NN=C(C)[C@H]1CCCN1C(=O)OC(C)(C)C	1324925371	XHJGNKOCEZFHIW-SNVBAGLBSA-N	313.354	1.051	50	20	DDGD	
COC(=O)N(C)CCNC(=O)NNc1ccc(C(C)(C)C)nn1	1328429972	UQPYMTCVICKQOZ-UHFFFAOYSA-N	324.385	1.098	50	20	DDGD	
C[C@@H]1CCc2nc(C=NNC(=O)C(=O)N3CCCC3)sc2C1	1324253933	OCXQVVJRDXIXQW-SNVBAGLBSA-N	320.418	1.340	50	20	DDGD	
C[C@@H]1C[C@H](c2ccccc2)N(C(=O)NNC(=O)c2cn[nH]c2)C1	1331537214	QMTABNPWBDJQIL-BXUZGUMPSA-N	313.361	1.847	50	20	DDGD	
O=C1CC[C@@H]2[C@H]1[C@@H]2C(=O)NNc1nc2ccccc2[nH]c1=S	1336903756	DTYWVHPBZPOBQD-NZXMKCKXSA-N	314.370	1.961	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)[C@@H]2CCc3c[nH]nc3C2)nn1	1339605761	UUWOVIUVROYUEG-SNVBAGLBSA-N	314.393	1.745	50	20	DDGD	
O=C(CCO)NN=C1CCN(Cc2ccccc2)[C@H]2CCC[C@H]12	1330721760	QWVBUPGLXBGNCB-WBVHZDCISA-N	315.417	1.916	50	20	DDGD	
CNS(=O)(=O)C[C@H]1CCCN1C(=O)C1CCC(Cl)CC1	1349288946	ZKBQZFJANDJJCM-HTAVTVPLSA-N	322.858	1.324	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCOc2ccccc2C)n[nH]1	1341306536	ADRHZTWPKWWHCH-UHFFFAOYSA-N	302.334	1.257	50	20	DDGD	
C=CCCC[C@@H](N)C(=O)NNc1ncc(Br)cn1	1340575093	YBUHAAHZBLMYQF-SECBINFHSA-N	314.187	1.366	50	20	DDGD	
CCN(CC)CC[C@H](C)NC(=O)NNc1nccc(OC)n1	1352179338	RONXYYSEVDFRLL-NSHDSACASA-N	310.402	1.232	50	20	DDGD	
O=C(O)CCOc1ccc(C=NNC(=O)C2CCOCC2)cc1	1353094334	UQPOZKKASGJVQY-UHFFFAOYSA-N	320.345	1.417	50	20	DDGD	
C[C@H](NC(=O)NNc1cc(F)c(F)cc1F)c1nnnn1C	1527969029	LDMZELWVCBOHLF-YFKPBYRVSA-N	315.259	1.015	50	20	DDGD	
O=C(CCc1ccccc1C(=O)O)NNC(=O)c1ccncc1	1608318347	IMLFUXXCIFNYMP-UHFFFAOYSA-N	313.313	1.174	50	20	DDGD	
COC[C@]1(C(=O)O)CN(C(=O)C2CCC(Cl)CC2)CCO1	1604550444	IHGCHPHTTFIYGA-MGULZYLOSA-N	319.785	1.113	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1	1600566244	TUQVHLXVCYMILY-MNOVXSKESA-N	305.334	1.192	50	20	DDGD	
Cn1cc(C=NNC(=O)CNc2ccccc2F)cc1C(=O)O	1600944874	GMSNZOXJPLMXIH-UHFFFAOYSA-N	318.308	1.425	50	20	DDGD	
N#C[C@]1(C(=O)NNc2ccc(C(=O)O)cn2)C[C@H]2CC[C@H]1C2	1601050710	HEBQUPWDFUMCGT-CCUNJIBTSA-N	300.318	1.553	50	20	DDGD	
O=C(C[C@@H]1C[C@H]2CC[C@H]1O2)NNc1cccc(C(=O)O)c1F	1601248709	DIAGFRFZIZNQHX-YGOYTEALSA-N	308.309	1.925	50	20	DDGD	
CC[C@@H]1C[C@H]1CNC(=O)NNc1cccc(-c2nn[nH]n2)c1	1604488761	JCHCVPQIXUTGDP-KOLCDFICSA-N	301.354	1.539	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2CCCN2C2CC2)c(F)c1	1602385447	VTPJJYQSAGYYRD-CYBMUJFWSA-N	307.325	1.594	50	20	DDGD	
O=C(O)CCC[C@H]1CCCC(=NNC(=O)Cc2cc[nH]n2)C1	1601981024	WSYKTTPSGPJFMO-LLVKDONJSA-N	306.366	1.870	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2ccccc2C(=O)O)c1	1600600411	IFSLYBCEISMXCE-UHFFFAOYSA-N	314.301	1.170	50	20	DDGD	
CC(C)c1noc(CCC(=O)NNc2ccc(C(=O)O)cn2)n1	1609722803	GMDIUADWDHQTIX-UHFFFAOYSA-N	319.321	1.362	50	20	DDGD	
O=C(O)Cc1occc1C(=O)NNC(=O)c1cccc(Cl)c1	1602155121	FPXONQWKVKEGJW-UHFFFAOYSA-N	322.704	1.635	50	20	DDGD	
Cc1cc(CNC(=O)NNc2ccc(F)c(C(=O)O)c2)n(C)n1	1600201395	JQFLMHQIZVWUNH-UHFFFAOYSA-N	321.312	1.392	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@H]1C(=O)O)c1cccc2ncccc12	1605815865	VZVHWXPIGAMJPD-VXGBXAGGSA-N	313.313	1.107	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)NCCc2ccns2)cc1	1602128676	ZMRHWFMHYFWPIY-UHFFFAOYSA-N	320.374	1.639	50	20	DDGD	
C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCBr)C2	1801597244	XLOWGUWECYEZQD-JGPRNRPPSA-N	313.195	1.043	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C=NNC(=O)c1ncccn1	1552452210	CUABLUCWNLWRCE-DGCLKSJQSA-N	314.349	1.094	50	20	DDGD	
COCC[C@@H](N)C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	1573977376	COVOKFJRURCSQE-LLVKDONJSA-N	316.283	1.384	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2nc(CN)sc2C)n1	1579861416	RZSPRNVIEBBGAC-UHFFFAOYSA-N	312.786	1.419	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)Nc1cccc2nonc12	1574578852	QLDSOTYVEHORPD-UHFFFAOYSA-N	314.261	1.465	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)Cc2cc(C)n[nH]2)c(C)c1	17514195	TXXAJWBIFYWRAP-UHFFFAOYSA-N	317.418	1.895	50	20	DDGD	
O=C(NNC(=O)C1(Cc2cccc(F)c2)CCC1)[C@H]1CCN1	1580732419	CFSIRNCUOWEUNJ-CYBMUJFWSA-N	305.353	1.048	50	20	DDGD	
O=C(NNc1nccnc1Cl)[C@@H]1NCC[C@H]2CCCC[C@@H]21	1580743273	XDSFJWYJIJONQJ-OUAUKWLOSA-N	309.801	1.741	50	20	DDGD	
C=CC[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2	1845977297	MHBHOHHLXZUONG-NEPJUHHUSA-N	314.813	1.002	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(F)c1C(=O)O)c1cnn(C)c1	1589424378	UPNKFOKKWIAQHM-MRVPVSSYSA-N	306.297	1.504	50	20	DDGD	
N[C@H]1CCCn2nc(C(=O)NNc3cnc4ccccc4n3)cc21	1580192060	YOXQJRCSIULZDW-JTQLQIEISA-N	323.360	1.377	50	20	DDGD	
CC(C)n1ncc(C(=O)NNc2ncccc2C(=O)O)c1Cl	1588986460	BKSGXVKBAUEIFW-UHFFFAOYSA-N	323.740	1.968	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@H]1C[C@@H](C(=O)O)C1	1598540965	IGGGWJMNFCMUJX-TXEJJXNPSA-N	306.318	1.397	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@H]1C[C@H](C)O[C@H]1C	1599376568	VNHCKUNXXJQTOV-ATZCPNFKSA-N	308.334	1.650	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)C1(C(=O)O)CCOCC1	1593640035	IMCCAJHOOUUOTG-UHFFFAOYSA-N	306.362	1.882	50	20	DDGD	
CCc1nn(C)cc1NC(=O)NNc1cccc(C(=O)O)c1F	1597724092	YCNQFARFZUTOPL-UHFFFAOYSA-N	321.312	1.968	50	20	DDGD	
O=C(CC1CC(F)(F)C1)NNc1ccc(-c2nn[nH]n2)cc1	1592810070	FOCVENJSBYOANF-UHFFFAOYSA-N	308.292	1.745	50	20	DDGD	
CSc1ccc(NCc2ccc(B(O)O)cc2)cc1C(=O)O	1599820809	MXCAEXPBLYSDJT-UHFFFAOYSA-N	317.175	1.399	50	20	DDGD	
O=C(NN=C1CC[C@@H](C(=O)O)c2ccccc21)c1cnsn1	1776105002	KUJPJIQZXZDNPS-SNVBAGLBSA-N	316.342	1.634	50	20	DDGD	
CC(Cc1cnn(C)c1)=NNC(=O)c1ccc(C(=O)O)cc1	1776099846	CRNARFXONGTVTC-UHFFFAOYSA-N	300.318	1.467	50	20	DDGD	
Cn1cc(C(=O)NNc2ccccc2Br)ccc1=O	153391622	IYKDCOPMFYKESN-UHFFFAOYSA-N	322.162	1.905	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=O)NCc2ccco2)cn1	153464962	JECBYWHOVOTQQN-UHFFFAOYSA-N	302.334	1.942	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1ncn(-c2ccccc2)n1	156929080	OHUVSKAXINTXHR-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
COc1cc(/C=C(/C#N)C(=O)N2CCCC2)cc([N+](=O)[O-])c1O	208034467	DOLFIBJQQOIXNE-WDZFZDKYSA-N	317.301	1.838	50	20	DDGD	
C[C@]1(C(N)=O)CCN(S(=O)(=O)c2ccc(CCl)cc2)C1	312483189	HSKQMNYIERNKNQ-ZDUSSCGKSA-N	316.810	1.311	50	20	DDGD	
CCCN(CC(F)F)C(=O)NNC(=O)c1cccc(C#N)c1	103517039	LGQIPTUXBSCYNW-UHFFFAOYSA-N	310.304	1.890	50	20	DDGD	
C[C@H]1c2ccccc2CCN1C(=O)NNC(=O)Cc1cccnc1	171604771	IWMZFQATNKNMDV-ZDUSSCGKSA-N	324.384	1.984	50	20	DDGD	
O=C(NCc1ccncc1)NNC(=O)c1ccc(Cl)cc1	54028655	HUPCHTMDVYOZRI-UHFFFAOYSA-N	304.737	1.879	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1coc(-c2ccccc2)n1	173959085	OHURXMLVXZUAHB-UHFFFAOYSA-N	321.300	1.765	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1c(F)cccc1F	103060399	GJTJWRUNHYEERO-UHFFFAOYSA-N	306.334	1.711	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)NC2CCCCC2)nn1C	174004851	FFTKYHCXQQVLAK-UHFFFAOYSA-N	307.398	1.820	50	20	DDGD	
O=C(CCc1nc(-c2cccs2)no1)NNc1cnccn1	114878017	ZMCSULQMFSITFS-UHFFFAOYSA-N	316.346	1.664	50	20	DDGD	
COc1cc(C(=O)NNC(=O)NCc2ccco2)ccc1C	65176927	LXFRMVKPJLOCAG-UHFFFAOYSA-N	303.318	1.741	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cc(-c3cccs3)on2)cn1	172129733	DMAQYPIZPNINDE-UHFFFAOYSA-N	317.330	1.211	50	20	DDGD	
CC1(C)CCc2nc(O)c(C(=O)NNC(=O)NC3CC3)cc2C1	1340878509	UECYFKQQXLZHML-UHFFFAOYSA-N	318.377	1.409	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2cc(F)ccc2F)n1	175467936	NZXKOASYTCNMNZ-UHFFFAOYSA-N	323.303	1.898	50	20	DDGD	
O=C(Cc1ccccc1[N+](=O)[O-])NNC(=O)c1ccccc1F	26690803	NXYJQSADXVAOJU-UHFFFAOYSA-N	317.276	1.738	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C2(N(C)C)CCC2)c1	119504231	BGICPDCCXWOUMA-UHFFFAOYSA-N	319.405	1.314	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCc1ccccn1	68444924	KFRVCBGEGNHTNC-UHFFFAOYSA-N	314.345	1.277	50	20	DDGD	
CCC[C@H](C(=O)NNc1nnc(C)c(O)n1)c1ccccc1	29066442	MHKLLGPQEHFYKN-LBPRGKRZSA-N	301.350	1.913	50	20	DDGD	
CN(C)CCN(C1CCCC1)S(=O)(=O)CBr	127209990	VKOACDDYDYWLJU-UHFFFAOYSA-N	313.261	1.475	50	20	DDGD	
CCOc1ccccc1C(=O)NCC(=O)NNc1ccccc1	66609858	GYWZTHOFHIFJBE-UHFFFAOYSA-N	313.357	1.958	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1cc(C(CC)CC)no1	74707640	KJZNQGWXEGPZOS-UHFFFAOYSA-N	312.370	1.445	50	20	DDGD	
CNC(=O)NNC(=O)c1cccc(COc2cccc(F)c2)c1	72568653	CWLRCTQHRXFCOE-UHFFFAOYSA-N	317.320	1.979	50	20	DDGD	
Cc1cccc2c(=O)n(CC(=O)NNc3ccccc3)cnc12	73001372	LKXWCFLGCBRQPS-UHFFFAOYSA-N	308.341	1.848	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)CC[C@H](C)OC	183004603	VTHXZDISQUOLIQ-VIFPVBQESA-N	314.769	1.925	50	20	DDGD	
COc1c(F)cc(NC(=O)NNC(=O)c2ccc[nH]2)cc1F	184512068	MIRPCHMZVTZCMB-UHFFFAOYSA-N	310.260	1.768	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)ccc1O)Nc1cccnc1	182662056	YTTALLFDWXCIJV-UHFFFAOYSA-N	306.709	1.907	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=S)NCCc1cccs1	129890585	TUNVIAGSTUIOEI-SNVBAGLBSA-N	315.464	1.601	50	20	DDGD	
C/C(=C\c1cccc(Cl)c1)C(=O)NNC(=O)C(=O)NC(C)C	124384902	SPZPOEBVLZJQGQ-JXMROGBWSA-N	323.780	1.415	50	20	DDGD	
COC(=O)CN1CCN(C(=O)c2cccc(CCl)c2)CC1	37834484	HTUPPJLHTOUGBG-UHFFFAOYSA-N	310.781	1.356	50	20	DDGD	
CC[C@H]1CCC[C@H]1NC(=O)NNc1ccc(-n2cccn2)nn1	132395109	LWIXDLZMAUYGHE-NWDGAFQWSA-N	315.381	1.867	50	20	DDGD	
CCCc1cc(NC(=O)NNc2nccnc2OC)n(C)n1	133424704	AFMCAPDRLOXCKN-UHFFFAOYSA-N	305.342	1.320	50	20	DDGD	
CC(C)Oc1ncccc1CNS(=O)(=O)CCCCl	48760961	BJNHRAUPDUMIEF-UHFFFAOYSA-N	306.815	1.917	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@H]1Cc2cc(F)ccc2O1	191885944	DYCVSPPXCIEKOZ-GFCCVEGCSA-N	313.292	1.315	50	20	DDGD	
CC(C)Nc1ccc(C(=O)NNC(=O)Cc2cccnc2)cn1	84389178	SDGZWADULZDOOO-UHFFFAOYSA-N	313.361	1.301	50	20	DDGD	
C[C@@H](O)C(=O)NNC(=O)COc1ccccc1-c1ccccc1	136078740	VAZAHSBVSNLNBG-GFCCVEGCSA-N	314.341	1.261	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C2=CCOCC2)c1	194997849	WDYXPDRSQNZDLB-UHFFFAOYSA-N	304.346	1.176	50	20	DDGD	
Cc1cc(/C=C/C(=O)NNC(=O)C(C)(C)O)ccc1OC(C)C	192915643	LBMKVEAWLNYGPX-VQHVLOKHSA-N	320.389	1.714	50	20	DDGD	
Nc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)c1ccccc1	195125221	PMWVXPXRRBATBD-UHFFFAOYSA-N	300.274	1.252	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn(C)c2C2CC2)c(O)c1	149883878	NCPMYEZFLUROIE-UHFFFAOYSA-N	314.345	1.386	50	20	DDGD	
C[C@@H](CBr)CN1CCC[C@@H](N2CCOCC2)C1	382532203	SNXIZJAABRYKED-QWHCGFSZSA-N	305.260	1.814	50	20	DDGD	
CSCCNC(=S)NNC(=O)Cc1noc2ccccc12	94120695	LSJFSIVWHAVVDA-UHFFFAOYSA-N	324.431	1.229	50	20	DDGD	
CCNS(=O)(=O)[C@@H]1CCN(C[C@H](C)CBr)C1	248787055	XLUCTWAHMQLBQB-NXEZZACHSA-N	313.261	1.031	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)n1	247630611	STVSSUWHEOYIGH-GAIPPQHRSA-N	303.366	1.464	50	20	DDGD	
COC(=O)N(C)CC(=O)NNc1ccc(OC(F)(F)F)cc1	268524660	BVARQTOHOLOPPO-UHFFFAOYSA-N	321.255	1.727	50	20	DDGD	
C[C@]1(CCCC(=O)NNc2ccccc2F)NC(=O)NC1=O	269581826	KLOLKISKJIGFQK-CQSZACIVSA-N	308.313	1.037	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1cc(Cl)nc(C)n1	267114120	CFKFFPALMARZQC-UHFFFAOYSA-N	315.761	1.360	50	20	DDGD	
N#C/C(=C\c1cc(O)ccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCO1	269408873	FOVDZWMAURFKCL-VKUYVZBCSA-N	317.301	1.503	50	20	DDGD	
COCCOC1CCN(C(=O)NNC(=O)c2ccccc2)CC1	265257350	CAXDTGHPVTXSKG-UHFFFAOYSA-N	321.377	1.168	50	20	DDGD	
O=C(CCCNC(=O)NNc1ccc(Cl)nc1)NC1CC1	266687977	SSBGISXNXYJYDB-UHFFFAOYSA-N	311.773	1.420	50	20	DDGD	
CCCC[C@H](COC)NC(=O)NNc1nc(C)cc(OC)n1	266916063	AVBYKAZFWOCDMI-LLVKDONJSA-N	311.386	1.625	50	20	DDGD	
COC(=O)NCCCC(=O)NNC(=O)c1cc2ccccc2o1	267323634	WMHIHNWWWMHAMN-UHFFFAOYSA-N	319.317	1.330	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(Cl)s1	276570982	NCQPWNJGUIDIDJ-UHFFFAOYSA-N	320.798	1.952	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)C(C)(C)O)cc1OCC	277527740	AFNQEIKZFMJLNA-UHFFFAOYSA-N	324.377	1.406	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@]2(C)CCO[C@@H]2C2CC2)n1	364158265	IIBFXXYSOZTRKS-ZBFHGGJFSA-N	320.393	1.922	50	20	DDGD	
O=C(NNc1nnc(C2CC2)s1)[C@H]1COc2ccccc2O1	273575197	KJYZAMCCBFUXMO-LLVKDONJSA-N	318.358	1.699	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)C(=O)Nc2c(C)c(C)nn2C)c1	275676076	HPCHNFTTZBTSIV-UHFFFAOYSA-N	315.377	1.736	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1ccc2c(c1)CCCC2	274329388	FNEXIBHWIWTMMZ-UHFFFAOYSA-N	311.407	1.420	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)C(C)(C)c2ccccc2)CCO1	271978197	OCDMWHUXWQZXCH-QWHCGFSZSA-N	304.390	1.927	50	20	DDGD	
Cc1cc(C)nc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)c1	278493099	CAMGVLODYBJFKH-UHFFFAOYSA-N	308.338	1.193	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)[C@H]1CCCCO1	271999080	NOUCKNGXUGUNNK-BXUZGUMPSA-N	323.368	1.656	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(Cl)nn1)N(C)CC(F)(F)F	288146285	VGNJAVLBVIRNIX-ZCFIWIBFSA-N	311.695	1.456	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@H]1COc2ccccc2[C@H]1O	288479628	VCTYKGWFUTXTKN-WCQYABFASA-N	319.810	1.419	50	20	DDGD	
COc1cccc2c(C(=O)NNC(=O)CC3CCCC3)n[nH]c12	289890660	XAAYOQZUSHEIKC-UHFFFAOYSA-N	316.361	1.913	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNc1nccnc1C1CCC1	287193367	MIOPGUDVESZWAF-UHFFFAOYSA-N	300.366	1.770	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CC[C@@H](C2CC2)C1	372340971	XJXPBANAVQTMGN-MRXNPFEDSA-N	315.417	1.417	50	20	DDGD	
CN(C)[C@H](C(=O)NNC(=O)NCC(F)(F)F)c1ccccc1	281191063	KGXPSUQFCBDDIN-JTQLQIEISA-N	318.299	1.182	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1c(OC)cnc2ccccc12	283056646	JSDLMUIVVDZVFJ-UHFFFAOYSA-N	302.334	1.550	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@](C)(C#N)CC)cc1OC	285175000	ZEMCKNCSGUUQBH-INIZCTEOSA-N	319.361	1.795	50	20	DDGD	
CC(C)NC(=O)NNS(=O)(=O)c1cc(Cl)ccc1F	283811116	IMEVDPSXBIJJLP-UHFFFAOYSA-N	309.750	1.380	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNC(=O)Nc1ccc(Cl)cc1	283788560	SSVWJASBEFTPPO-MRVPVSSYSA-N	313.741	1.692	50	20	DDGD	
C#CCOc1ccccc1NC(=O)C(=O)NCCSSC	285022910	CXDCITZQNZTSKP-UHFFFAOYSA-N	324.427	1.765	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)COc2cccc(C)c2)no1	294369607	NDJPVXCXPGQDNL-UHFFFAOYSA-N	317.345	1.776	50	20	DDGD	
CCSc1cc(C(=O)NNC(=O)[C@H]2CCCCO2)ccn1	295280601	COPPMKPJYQTRLU-LLVKDONJSA-N	309.391	1.524	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ncncc1F)N1CCC[C@@H](C)C1	292810473	WHXBQERDVWTZBA-MNOVXSKESA-N	310.377	1.362	50	20	DDGD	
O=C(NNC(=O)c1cnc(S)[nH]1)c1ccc2ccccc2c1	800689653	SILWARLKTGIDTQ-UHFFFAOYSA-N	312.354	1.926	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)C(C)(C)C2CC2)C[C@H](C)O1	806339841	KNXJKRUNEZLWNT-RYUDHWBXSA-N	311.426	1.069	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1cc(C2CC2)ccn1	290159235	QORIQAGSMMROST-SNVBAGLBSA-N	322.365	1.163	50	20	DDGD	
Cc1nc(C2CC2)ccc1C(=O)NNC(=O)Cc1ccncc1	295380704	SIPVTWOFEBESKQ-UHFFFAOYSA-N	310.357	1.666	50	20	DDGD	
Nc1ccc(C(=O)NNC(=O)Nc2ccccc2)cc1[N+](=O)[O-]	801985067	UCIXYLAYIVUIRS-UHFFFAOYSA-N	315.289	1.644	50	20	DDGD	
C#CCN(C)CCCNC(=O)NNc1cccc(NC(C)=O)c1	297590873	UZFXPSKLCPBYRD-UHFFFAOYSA-N	317.393	1.226	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)c1cn(C)nn1	809731599	KSMFLUSUPYOWKA-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
CS(=O)(=O)Nc1ccc(C(=O)NNc2cccc(F)n2)cc1	804768359	YLCXSKORJHWCGV-UHFFFAOYSA-N	324.337	1.349	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)[C@H]1CCCOC1	807917081	KQZRVDSDNOOUOS-JTQLQIEISA-N	313.448	1.213	50	20	DDGD	
C/C=C(/C)C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	802065513	DAKXYUAEOWQYPA-WTKPLQERSA-N	311.363	1.209	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C2(C(F)(F)F)CCC2)n1	294801319	BLVICYNBZNAAEX-UHFFFAOYSA-N	304.272	1.969	50	20	DDGD	
COc1ccc(C=NNC(=O)c2cc(C)[nH]n2)c(C)c1OC	807976326	NZCOGKVSRNOBKL-UHFFFAOYSA-N	302.334	1.808	50	20	DDGD	
O=C1NCCc2cc(OS(=O)(=O)CCCCCl)ccc21	809856456	YVKKEAFNBGDZQG-UHFFFAOYSA-N	317.794	1.700	50	20	DDGD	
CCc1nc2ccc(Cl)cn2c1C(=O)NNC(=O)NC(C)C	813427664	LBPUYLRVNQNCTA-UHFFFAOYSA-N	323.784	1.903	50	20	DDGD	
CCCN1C[C@H](CNC(=O)NCCSSC)CC1=O	817167478	NURFCEGGAWOPRO-JTQLQIEISA-N	305.469	1.555	50	20	DDGD	
C[C@](O)(C(=O)NNc1nc(-c2ccccc2)no1)C1CCC1	813448456	OEKVAKSQWYFFAG-OAHLLOKOSA-N	302.334	1.731	50	20	DDGD	
C[C@@H](Oc1cccc(C=NNC(=O)[C@H]2CCCS2)c1)C(=O)O	819826726	MPNQBTFJDQHDCZ-ZWNOBZJWSA-N	322.386	1.884	50	20	DDGD	
Cc1onc(-c2ccccn2)c1C(=O)NNc1ncncc1F	817082672	WWRBJYZOTURHJJ-UHFFFAOYSA-N	314.280	1.731	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1cnc2n(c1=O)CCS2	817008954	OSFDIPLPJRIRFS-UHFFFAOYSA-N	323.765	1.154	50	20	DDGD	
CC(C)(CC(=O)OCC(=O)NNC(=O)c1cccs1)C1CC1	815471769	STXXCAMEWOUSMV-UHFFFAOYSA-N	324.402	1.879	50	20	DDGD	
Cn1nncc1NNC(=O)CCc1nc(-c2cccs2)no1	816771745	ZAYXLZOQOBXPDE-UHFFFAOYSA-N	319.350	1.003	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CC2CC2)cnn1C1CCOCC1	819126550	PTANHAHJBOHKOJ-UHFFFAOYSA-N	306.366	1.104	50	20	DDGD	
COc1ccccc1NC(=O)C(=O)NNc1cccc(Cl)n1	815728628	MTMAPMLJIBMLIC-UHFFFAOYSA-N	320.736	1.825	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=C1COc2ccccc21	814743134	VAXBTQSAOWXDQS-UHFFFAOYSA-N	307.309	1.850	50	20	DDGD	
COc1cccc(NNC(=O)NCC[C@]2(O)C[C@H]3CC[C@H]2C3)n1	814346835	LAVBCEJXTDCSQE-MKBNYLNASA-N	320.393	1.658	50	20	DDGD	
O=C(NNc1ncncc1F)c1c[nH]nc1-c1ccsc1	817078045	RUEYUITUEKNFQK-UHFFFAOYSA-N	304.310	1.824	50	20	DDGD	
CCC(=NNC(=O)[C@H](C)NS(C)(=O)=O)C1CCCCC1	728433738	FLGXYNFVDROOQS-JTQLQIEISA-N	303.428	1.387	50	20	DDGD	
CC(C)[C@@H]1CC(=NNC(=O)CNC(=O)c2cccnc2)CS1	814873715	NXTWQFQHCKCASO-ZDUSSCGKSA-N	320.418	1.445	50	20	DDGD	
O=C(C[C@H](c1ccccc1)N1CCOC1=O)NNC(=O)C1CC1	728266803	ZUXCKZWZUIOWLK-CYBMUJFWSA-N	317.345	1.127	50	20	DDGD	
CCC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)C(=O)N1CCCC1	728399703	GVHYOGCYUFEIQQ-QWHCGFSZSA-N	324.425	1.298	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](C)C1CCN(C(=O)OC)CC1	490662380	BDNFKTHTYXBOEU-KBICQTFXSA-N	309.366	1.413	50	20	DDGD	
CCCOc1ccc(C(=O)NN(C)[C@H](C)CO)cc1OCC	823988425	RZRDJTIGQPSENY-GFCCVEGCSA-N	310.394	1.832	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCOC[C@H](C3CCC3)C2)cn1	491009272	JQPIESMIEGYVPR-UBYXTUIOSA-N	314.389	1.602	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)C/C=C/Cc2ccccc2)CC1	822764588	JUGSWQPRLLAJJS-AATRIKPKSA-N	316.405	1.164	50	20	DDGD	
N#Cc1cccc(C(=O)NN=Cc2cnc(N3CCCC3)nc2)c1	728781732	WEHFOEDCVYDFAW-UHFFFAOYSA-N	320.356	1.712	50	20	DDGD	
Cc1ccccc1CC(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1	822352146	VACMUDSLMKIWDM-UHFFFAOYSA-N	320.356	1.868	50	20	DDGD	
CCc1nncn1CCNC(=O)/C(C#N)=C\c1ccc(O)cc1	490975791	PVCUWPLHYXJXPD-LCYFTJDESA-N	311.345	1.269	50	20	DDGD	
COc1ccc(NNC(=O)CNC(=O)Cc2ccccc2)cc1	729272204	MKYXROKSYFXAFN-UHFFFAOYSA-N	313.357	1.497	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNc1ncc(Br)cn1	491513045	AAACYPYLSOJYEH-VIFPVBQESA-N	312.171	1.667	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)Cn1ccc2ccccc21	823129830	SYGLRPOLWBBBLY-CQSZACIVSA-N	303.362	1.604	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)Cc1cccc(OC(F)(F)F)c1	823946521	LBESURLYBWKAJU-VIFPVBQESA-N	306.284	1.472	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@@H]1CCN(C2CCCCC2)C1	822533163	VXBWRDRKVCCDOP-GFCCVEGCSA-N	319.409	1.366	50	20	DDGD	
CC(C)=CCC/C(C)=C\C=NNC(=O)[C@@H](C)NS(C)(=O)=O	728437334	QMRFABGJZYXFKC-ITUYZKDFSA-N	315.439	1.719	50	20	DDGD	
CC[C@H](c1ccccc1)N(CC)C(=O)c1cccc(B(O)O)c1	584937835	CQENFSQSMYODBE-QGZVFWFLSA-N	311.190	1.980	50	20	DDGD	
COCCSc1ccc(NCc2ccc(B(O)O)o2)cc1	585016719	XDUFPLDBEYMBBS-UHFFFAOYSA-N	307.180	1.310	50	20	DDGD	
O=C(NNC(=O)[C@@]1(c2ccccc2)CCCO1)C1CCOCC1	829557863	SIICFDIDEGAKKE-KRWDZBQOSA-N	318.373	1.266	50	20	DDGD	
CN(CC(=O)NNC(=O)CC(C)(C)C)C(=O)OC(C)(C)C	491139095	DDTNCRLOUYZASX-UHFFFAOYSA-N	301.387	1.437	50	20	DDGD	
Cc1cc(NNC(=O)c2cccc3c2O[C@@H](C)C(=O)N3)ncn1	734254771	YGVDBZNDRMRXJO-VIFPVBQESA-N	313.317	1.261	50	20	DDGD	
Cc1cccc(C)c1C(=O)NNC(=O)CNC(=O)OC(C)(C)C	494450452	DORXUGKYLUQFHX-UHFFFAOYSA-N	321.377	1.589	50	20	DDGD	
CC1(C)CNC(=O)[C@H]1NC(=O)[C@H](Br)C(C)(C)C	827611147	JSEDNVGOTGUBKR-JGVFFNPUSA-N	305.216	1.437	50	20	DDGD	
CCC1CCC(N(CC(=O)NNC(=O)C2CC2)C2CC2)CC1	733194549	ZJGMOHOOQZFIIJ-UHFFFAOYSA-N	307.438	1.977	50	20	DDGD	
CCCn1nccc1C(=O)NNc1cccc(F)c1C(=O)OC	822735538	BGCZYKONJFKILK-UHFFFAOYSA-N	320.324	1.976	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNC(=S)N[C@@H](C)C1CC1)C(C)C	824327284	DKPHXOGSRLSPAY-ONGXEEELSA-N	315.439	1.116	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCC(=O)NCC#N)cc1	731239690	QXOYDDKSQDKZPM-LCYFTJDESA-N	313.313	1.175	50	20	DDGD	
CCc1nocc1C=NNC(=O)CCNC(=O)OC(C)(C)C	495649221	BPBLFELBKUCIMR-UHFFFAOYSA-N	310.354	1.602	50	20	DDGD	
C[C@]1(C(=O)N2CCC3(CC2)CNC(=O)O3)C[C@H]1Br	907602122	MDPMYGXNPRCWFF-KCJUWKMLSA-N	317.183	1.261	50	20	DDGD	
C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CC[C@H](B(O)O)C1	585073136	APMPZYWLFQAJLU-OCCSQVGLSA-N	319.210	1.827	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)C2CCOCC2)c(F)c1	905498860	WZYGNFKKMMHFSI-UHFFFAOYSA-N	308.309	1.489	50	20	DDGD	
O=C(O)[C@H]1C[C@@H]1C(=O)NNc1ccc(OC(F)(F)F)cc1	833179627	UAUNRKAUZXDERV-IUCAKERBSA-N	304.224	1.749	50	20	DDGD	
O=C(NN=Cc1c[nH]nc1-c1cccnc1)c1ccc(O)cc1	839383977	RMSYTIQRIUITND-UHFFFAOYSA-N	307.313	1.941	50	20	DDGD	
CN(C)C[C@](C)(C=NNC(=O)Cc1cc[nH]n1)c1ccccc1	834982508	CUENOTNBKZYNFM-KRWDZBQOSA-N	313.405	1.574	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1c(C)nn(C(C)C)c1C	901193697	AVMVRVXPDUTWPF-ZDUSSCGKSA-N	310.398	1.582	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@]2(C)CCCCO2)c1	837310949	JBSWNJXRMNKHRK-QGZVFWFLSA-N	320.389	1.789	50	20	DDGD	
C[C@H](C=NNC(=O)NCC1CC1)c1ccc(S(C)(=O)=O)cc1	834945369	MXZNPEOJEUVOFZ-LLVKDONJSA-N	323.418	1.889	50	20	DDGD	
O=C(CN1CCC[C@@H]1C[C@@H]1C[C@H]2CC[C@H]1C2)NNC(=O)C1CC1	733194701	JFLRLYVNIPWIDF-QCEMKRCNSA-N	319.449	1.835	50	20	DDGD	
C[C@H]1CC(=NNC(=O)COc2ccc(C#N)cc2)c2nccn21	834921460	FTQMWBMXAJCGTN-NSHDSACASA-N	309.329	1.619	50	20	DDGD	
CN(NC(=O)COc1cccc(C#N)c1)C(=O)OC(C)(C)C	838366140	KSHDUNCSQGSNAW-UHFFFAOYSA-N	305.334	1.835	50	20	DDGD	
Cc1nn(CCC(=O)O)c(C)c1C=NNC(=O)C1CCCC1	738922415	HXGLUYTUDYQCRM-UHFFFAOYSA-N	306.366	1.615	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	837513434	NJZRDBPSRIIDKI-WCQGTBRESA-N	302.330	1.532	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCC[C@H](C(C)(C)O)C2)cn1	832453285	JDHOGVIUXVSXSS-LVOZBFFPSA-N	302.378	1.337	50	20	DDGD	
CCOc1cc(CNC(=O)NNC(=O)C(C)C)ccc1OC	734011985	RSNHHIHIHBDZTD-UHFFFAOYSA-N	309.366	1.580	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NCCCSC#N)cc1	916963738	DJEBQRWWLDFZII-UHFFFAOYSA-N	300.405	1.968	50	20	DDGD	
CO[C@@H]1COCC[C@H]1CNC(=O)NNc1c(F)cccc1F	838659949	RISLJBLLZYFQGM-JOYOIKCWSA-N	315.320	1.642	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2O)cn1	918358679	WBTNBWMMAFXFPG-UHFFFAOYSA-N	321.720	1.524	50	20	DDGD	
CO[C@H]1CCCCC1=NNC(=O)Cc1cc(O)nc(S)n1	915957351	JDJPMNMVJBVNOM-JTQLQIEISA-N	310.379	1.075	50	20	DDGD	
CCCCNC(=O)NNC(=S)N[C@H]1CCOc2ccccc21	741487557	GLFVXROLXRZNLS-LBPRGKRZSA-N	322.434	1.989	50	20	DDGD	
Cc1ccccc1-n1ncc(C(=O)NN(C)C[C@@H](C)O)c1C	910169927	HXRUXLIPGSKMIK-GFCCVEGCSA-N	302.378	1.447	50	20	DDGD	
CCCN1CCC[C@@H](C(=O)NNC(=S)NCC2CCC2)C1	912100681	DFBMABDJSZSFJX-CYBMUJFWSA-N	312.483	1.404	50	20	DDGD	
CC(C)(O)CCSCC(=O)NNC(=O)c1cccc(C#N)c1	848443507	RXACXXZGBUDMRZ-UHFFFAOYSA-N	321.402	1.213	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21	916362007	GXFNVYRFPFSQRW-QCODTGAPSA-N	319.449	1.883	50	20	DDGD	
Cc1onc(-c2ccc(F)cc2)c1C(=O)NN(C)C[C@H](C)O	910169616	FGKDYHHGUYLYSX-VIFPVBQESA-N	307.325	1.747	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccnc(N(C)C)n2)cc1	740103364	PAMNBEJFENMRDG-UHFFFAOYSA-N	315.333	1.086	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C(=O)c1ccc(Cl)cc1	843649428	VFPLLYJTVGLTSR-KCJUWKMLSA-N	310.737	1.095	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)N1CCOCC1)CCC2	741839593	JRWGHOJQQCFFNY-UHFFFAOYSA-N	303.362	1.777	50	20	DDGD	
C[C@]1(C(=O)Nc2ccnc(OCCO)c2)C[C@H]1Br	912718338	FCCLFQAROKNEPT-SKDRFNHKSA-N	315.167	1.565	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccccc1	843653395	NFJKTXVYBKFMCM-YUELXQCFSA-N	304.390	1.999	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCOCC1	745590648	DCMPZYALHJOMAH-UHFFFAOYSA-N	312.713	1.624	50	20	DDGD	
CC1(C)CCC[C@@H](CNC(=O)NNC(=O)c2ncccn2)C1	841586716	HSGITTICFPOVMW-LLVKDONJSA-N	305.382	1.637	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)nn1C(C)(C)C	843645616	NHDXYWHHJXJXKI-GHMZBOCLSA-N	308.382	1.133	50	20	DDGD	
N#Cc1cccc(NNC(=O)CN2CCCCCCC2=O)c1	748033198	FQBONMHFUGSTCN-UHFFFAOYSA-N	300.362	1.794	50	20	DDGD	
O=C(NNc1cccc(F)c1F)N[C@@H]1CCN(CC(F)F)C1	842198154	YXITUQHGUCAKOV-MRVPVSSYSA-N	320.290	1.930	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)Cc2ccncc2)CCc2ccccc21	843562022	ZJJXMYXIYVZSDF-GOSISDBHSA-N	309.369	1.676	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCC2)c1ccc(Cl)cc1O	918361799	IGCUFUOQZPEJDA-UHFFFAOYSA-N	320.736	1.332	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@]1(C)CCN(C(C)=O)C1	747303911	IDJBXFVGSIJPBM-HNNXBMFYSA-N	322.317	1.767	50	20	DDGD	
N[C@@H]1CCc2ncc(NC(=O)NNc3cccc(F)n3)cc2C1	841323357	XMNHMLWYZGSRGU-SNVBAGLBSA-N	316.340	1.580	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)N[C@H]1CCCNCC1	841978102	QPOABNXQEBFCOH-QMMMGPOBSA-N	302.300	1.872	50	20	DDGD	
Cc1cc(C)n(Cc2cccc(C(=O)NNC(=O)C(C)C)c2)n1	748697391	GKUTWYYWNDGTAE-UHFFFAOYSA-N	314.389	1.965	50	20	DDGD	
CCn1ncc(C=NNC(=O)[C@@H](C)Oc2ccc(F)cc2)n1	841610620	KFPSRKQFJWTUNE-SNVBAGLBSA-N	305.313	1.355	50	20	DDGD	
CCC(CC)(CO)C(=O)NNc1ccc(C(=O)OC)cc1F	848215200	ZRFLTEXNWPKNKX-UHFFFAOYSA-N	312.341	1.854	50	20	DDGD	
CCn1cc(CNC(=O)NNc2c(F)cc(F)cc2F)nn1	923261926	VDYCZBWCFNNPJH-UHFFFAOYSA-N	314.271	1.542	50	20	DDGD	
O=C(NN=Cc1cccc2[nH]ccc12)[C@H]1CCS(=O)(=O)C1	755622598	YVOIOPABJIIJEX-NSHDSACASA-N	305.359	1.053	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)c2cccn2C)cc(O)n1	929435835	QDINXPRPRBHZGO-UHFFFAOYSA-N	302.334	1.153	50	20	DDGD	
O=S(=O)(CBr)N[C@@H]1Cc2cccc(O)c2C1	758173252	DRQVCMIOJJSWOL-MRVPVSSYSA-N	306.181	1.131	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnc(S)n1-c1ccc(F)cc1	920858477	PSCHDUIOILYYCX-UHFFFAOYSA-N	323.353	1.264	50	20	DDGD	
C[C@H](C[S@@](C)=O)NC(=O)NNc1cc(F)cc(Cl)c1	853981689	MRLJYODAZITPQO-QOLSBQFWSA-N	307.778	1.872	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccc[nH]2)c(Cl)n1	757691416	WUHKSMLSOMGQQW-UHFFFAOYSA-N	309.713	1.538	50	20	DDGD	
CCC[C@@H](C(=O)NNC(=O)CN(C)C)c1ccc(Cl)cc1	857108245	DCEJKPASLKNGKT-CYBMUJFWSA-N	311.813	1.933	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NNc1ncc(F)cn1	752687134	UNGXRUYOVKFOFZ-BJMVGYQFSA-N	301.256	1.805	50	20	DDGD	
Cc1csc(C=NNC(=O)c2nnc(O)c3ccccc23)n1	755545931	OKPTXDXPGCYAIT-UHFFFAOYSA-N	313.342	1.864	50	20	DDGD	
C[C@H](C(=O)NNC(=O)NC1CC1)c1ccc([N+](=O)[O-])cc1F	755158577	RKXHLNAPZPPZRD-ZETCQYMHSA-N	310.285	1.330	50	20	DDGD	
C#CC[C@@H](CCOC)NC(=O)NNC(=O)Cc1ccccc1C	859025489	SEMRKEIEZGQEDX-HNNXBMFYSA-N	317.389	1.296	50	20	DDGD	
COC[C@H](CNC(=O)NNc1cc(F)cc(Cl)c1)OC	853972759	DGIWLAKACJTMOG-NSHDSACASA-N	305.737	1.767	50	20	DDGD	
CN(C[C@@H]1CCC[C@@H]1O)C(=O)NC[C@]1(C)C[C@@H]1Br	856952562	GGWRZSVAIOOIMB-ZPFDUUQYSA-N	319.243	1.962	50	20	DDGD	
CCC(=O)N1CC[C@H](NC(=O)NNc2cc(F)ccc2C)C1	853863047	LPYNTSCLXNVUHI-LBPRGKRZSA-N	308.357	1.771	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@H](O)C(F)(F)F)C[C@H]1Br	856950805	IZNMQBMTRQKAFJ-GKROBHDKSA-N	319.121	1.382	50	20	DDGD	
O=S(=O)(CBr)N1CCCC[C@@H]1[C@@H]1CCCN1	850588368	COBWSORMLJZYKD-VHSXEESVSA-N	311.245	1.275	50	20	DDGD	
CCO[C@@H](C)C(=O)NNC(=O)Cn1c(CC)nc2ccccc21	920423446	WHXUGDFYLCWEBN-NSHDSACASA-N	318.377	1.171	50	20	DDGD	
Cc1ccc(NNC(=O)NCC(C)(C)S(C)(=O)=O)cc1F	853822023	HXGDEKQXLLNSFA-UHFFFAOYSA-N	317.386	1.583	50	20	DDGD	
CCC[C@H](O)C(=O)NNC(=S)Nc1cccc(Cl)c1	929263545	YIMXYCRQUABMRW-JTQLQIEISA-N	301.799	1.819	50	20	DDGD	
CC[C@@H]1C[C@H](CC(=O)NNC(=O)c2cccc(F)n2)CCO1	856423329	RRENXUNICOKRON-GHMZBOCLSA-N	309.341	1.577	50	20	DDGD	
C[C@H](NC[C@]1(C)C[C@@H]1Br)C1CCS(=O)(=O)CC1	857062819	FROBXHNKUDJKDZ-DLOVCJGASA-N	324.284	1.963	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)C1CCN(C(=O)N(C)C)CC1	855367804	RYFJUFKBAQPHLZ-UHFFFAOYSA-N	322.384	1.971	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)c2cccc(Cl)n2)nn1C	857326283	UWMWLNRBWUNBDJ-UHFFFAOYSA-N	321.768	1.667	50	20	DDGD	
CC(C)Cc1ccc(CC(=O)NNC(=O)c2cc[nH]n2)cc1	855361596	FHMCXNWAQANPTI-UHFFFAOYSA-N	300.362	1.612	50	20	DDGD	
CC[C@H](CSC)NC(=O)NNC(=O)c1cccc(F)n1	852239573	QEGQBYLSRZQSRH-MRVPVSSYSA-N	300.359	1.306	50	20	DDGD	
CC[C@H](CC(F)(F)F)C(=O)NNC(=O)c1cccc(F)n1	856427149	QPNAKWRUXLGBMQ-SSDOTTSWSA-N	307.247	1.960	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1ccc(O[C@H](C)COC)cc1	853000437	BETZZOWIDDQNOU-QQFZQELXSA-N	318.373	1.770	50	20	DDGD	
CC(C)(CCCO)CNC(=O)NNc1ncc(Cl)cn1	856881503	KETDUKLSAWFBCO-UHFFFAOYSA-N	301.778	1.555	50	20	DDGD	
COC(=O)[C@H]1C[C@H](NC(=O)[C@H](Br)C(C)(C)C)C1	856367620	LBWJZYMZHXOKBK-CIUDSAMLSA-N	306.200	1.864	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CCCc1cccnc1	854387764	JMQVKZIWQBGGEO-UHFFFAOYSA-N	323.393	1.341	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1nc2cccnc2s1)C1CC1	855097029	IABXQTPXQWKVLN-ZETCQYMHSA-N	321.431	1.599	50	20	DDGD	
CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)NNc1cccc(F)n1	852692950	DWJJKEOEIDAPBM-BONVTDFDSA-N	324.356	1.969	50	20	DDGD	
N#CSCCCNC(=O)CC1(Cn2cnnn2)CCCCC1	854363712	KDEMCHDJQMVAEG-UHFFFAOYSA-N	322.438	1.734	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)[C@H]1CCCN(C(=O)C2CC2)C1	857355835	PEXGKNUKKNAXOX-JTQLQIEISA-N	323.784	1.222	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@H](CCO)C1	757108412	RJHXYMKVAMGZKS-CYBMUJFWSA-N	313.829	1.973	50	20	DDGD	
O=C(CN[C@@H](c1ccncc1)C1CC1)NNC(=O)c1ccccc1	934691998	JEVVIVCLNHLULI-QGZVFWFLSA-N	324.384	1.584	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12	750937046	PJKQQTNFYDKGOD-NDBYEHHHSA-N	315.373	1.938	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ncc2n1CCCC2)C1CC1	869219424	XRBFYXMURPYEFY-VIFPVBQESA-N	307.423	1.127	50	20	DDGD	
CC(C)[C@@H](CNCc1ccc(B(O)O)cc1)C(=O)OC(C)(C)C	863889568	DJYMKVDNUMJNDM-OAHLLOKOSA-N	321.226	1.070	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@@H]1CC[C@H]2SCCS[C@@H]12	762627170	HHKGCEXQOISXAO-MXWKQRLJSA-N	315.464	1.497	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc2c(c1)CCCO2	930103065	MZESNFTVFJOCAT-UHFFFAOYSA-N	301.346	1.968	50	20	DDGD	
C[C@H]1CC(=O)CC[C@H]1C(=O)NNCC(F)(F)C(F)(F)F	863097916	WKYXWHYOUCYLLC-POYBYMJQSA-N	302.243	1.810	50	20	DDGD	
Cc1nc([C@H]2CCOC2)sc1C(=O)NNC(=O)NCC1CC1	865016178	YSYRGPCSGJVBKU-JTQLQIEISA-N	324.406	1.309	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](F)c1ccccc1	768996391	NHDMSUJNKDCQJT-LBPRGKRZSA-N	309.341	1.149	50	20	DDGD	
CCc1ncsc1NC(=O)C(=O)NNC(=O)c1ccc(C)o1	764372371	UMALBZVHNHRSPU-UHFFFAOYSA-N	322.346	1.007	50	20	DDGD	
COc1ccc(C(=O)NN[C@H](C)C(F)(F)F)cc1OCCO	862320875	WPTAXRUXCXZJQJ-MRVPVSSYSA-N	322.283	1.252	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H]2CCN2C2CCCC2)c1	862468328	HKQSHJPYBLMOCM-LBPRGKRZSA-N	307.419	1.834	50	20	DDGD	
CCC[C@]1(CO)CCCN1[C@@H](C)C(=O)NNC(=O)CC(C)C	769912503	FCVZXKSJMRVQML-XJKSGUPXSA-N	313.442	1.195	50	20	DDGD	
CC(C)Oc1cncc(C(=O)NNc2ccnc(N(C)C)n2)c1	768148483	ZBERKBMWSWOZTF-UHFFFAOYSA-N	316.365	1.482	50	20	DDGD	
CC(C)c1cc(C(=O)NNCC(F)(F)C(F)(F)F)n[nH]1	863093345	INILUFKBMIOWJF-UHFFFAOYSA-N	300.231	1.965	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H]1CCN(C2CCCCC2)C1=O	765877841	GDWITPZNVPRFFB-ZDUSSCGKSA-N	324.425	1.297	50	20	DDGD	
CCO[C@@H](C)c1ncc(C(=O)NNC(=O)c2cc(C)[nH]n2)s1	765587370	JOQFLWZSZJBFMG-QMMMGPOBSA-N	323.378	1.347	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccccc1SC(F)(F)F	768255609	LIKOXYKWEXQFIE-UHFFFAOYSA-N	322.308	1.830	50	20	DDGD	
COc1ccc(OC)c(NC(=O)NNc2nccnc2OC)c1	764598383	ZPVHHWKCYKRASR-UHFFFAOYSA-N	319.321	1.651	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@H]32)n1	861460289	AGQOOIPBXZGYJV-FVQBIDKESA-N	307.353	1.737	50	20	DDGD	
CCc1ccc2occ(C(=O)NNC(=O)COCCOC)c2c1	869905487	NEPFSWJUQRKNHH-UHFFFAOYSA-N	320.345	1.419	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1sccc1OC	760342289	JVOHYBMPUXVEFM-UHFFFAOYSA-N	307.397	1.049	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cnc(-c2cccnc2)s1	761717533	LJQWSJIBWUVOHW-UHFFFAOYSA-N	302.359	1.766	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)OCc2ccncc2)o1	866436860	UAXDIDYTCWKTSA-NSHDSACASA-N	303.318	1.349	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)COc1ccccc1O)c1ccc[nH]1	760354147	KVBPROSWRCAHJZ-JTQLQIEISA-N	318.333	1.191	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@@H]1CCOC2(CCCC2)C1	769176546	WZYZCHKPTWMNBK-CYBMUJFWSA-N	309.410	1.999	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CSc2ccccc2O)[nH]1	764045102	BLKLIMPGAUWQON-UHFFFAOYSA-N	316.342	1.145	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNc2nncc(N)c2Cl)c1C	1117788817	XBWNZGACSJJSJI-UHFFFAOYSA-N	323.788	1.231	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1F)[C@H]1CCc2nnnn2CC1	871270457	QPJJJSGGNOSGBF-QMMMGPOBSA-N	324.747	1.561	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1ccc(Cl)cn1	768579310	WNKSNLGGJVEFFX-UHFFFAOYSA-N	307.766	1.761	50	20	DDGD	
CNC(=O)c1cccc(NC(=O)NNc2ncc(F)cn2)c1C	775476562	CSXQNJKNAMTSFC-UHFFFAOYSA-N	318.312	1.432	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)N[C@@H]1CC12CCC2	872883695	SROPZMIRUFERIB-CQSZACIVSA-N	312.373	1.914	50	20	DDGD	
Cc1cccc(C)c1CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	1118124321	BUKKNILSRUDBIW-QWHCGFSZSA-N	305.378	1.559	50	20	DDGD	
CCC[C@@H](CNC(=O)NNc1cncc(Cl)n1)OCC	875782893	VAODCVKCOYYAKS-VIFPVBQESA-N	301.778	1.961	50	20	DDGD	
CC[C@@H]1C[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)CCO1	779865862	SLWJSMUMMMYOEE-NWDGAFQWSA-N	320.345	1.382	50	20	DDGD	
CC(=NNC(=O)CCO)c1ccc(O)c(CN2CCCCC2)c1	1116205223	NRKSKRIFDOYKNY-UHFFFAOYSA-N	319.405	1.601	50	20	DDGD	
CNC(=O)Cn1nc(NC(=O)NNc2ccccc2F)cc1C	770082480	VZDJPLSTMQIHTA-UHFFFAOYSA-N	320.328	1.225	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CCOC[C@H]1CCCO1	777772729	KETMGHFKBZQXSF-GFCCVEGCSA-N	322.361	1.502	50	20	DDGD	
O=C(NNc1ncccn1)Nc1ccn(Cc2ccccn2)n1	775626462	JZHRFFYIQVRLCD-UHFFFAOYSA-N	310.321	1.265	50	20	DDGD	
CC[C@H](C)n1ncc(NC(=O)NNC(=O)C2CCOCC2)c1C	879356654	BOEDFRQJUILRQC-JTQLQIEISA-N	323.397	1.742	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1cc(COC(C)(C)C)on1	776938556	VFKKSHFYQNQLSU-UHFFFAOYSA-N	312.370	1.476	50	20	DDGD	
O=C(NNc1ccccc1)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1	779819841	PNDCDPVAUNJORI-UONOGXRCSA-N	312.329	1.101	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2cnccc2N(C)C)n1	776184866	AEVCNWITBAHMRM-UHFFFAOYSA-N	303.391	1.605	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cn(C(C)C)cn2)cc1O	882050375	AIZZGTGNWGHGDF-UHFFFAOYSA-N	302.334	1.553	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NC[C@H]1C=CCC1	883416179	OBATXISVPMSIEH-LBPRGKRZSA-N	313.361	1.553	50	20	DDGD	
CNC(=O)C1(C(=O)OC[C@@]2(C)C[C@H]2Br)CCC1	1123141962	OMRNEWLKRZLKAW-LDYMZIIASA-N	304.184	1.619	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2cccc(C#N)c2)[C@@H]1OC	776524780	IXQNJJBPAASFSJ-MCIONIFRSA-N	304.350	1.377	50	20	DDGD	
O=C1C[C@H](NS(=O)(=O)CCCCl)CN1C1CCCCC1	881997476	GYPIHSALSJSFHI-NSHDSACASA-N	322.858	1.468	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1)C1CCOCC1	883060554	PQECHWDAYXNQGX-KBPBESRZSA-N	306.337	1.503	50	20	DDGD	
CC(C)Nc1ncccc1C(=O)NNC(=O)C1CCOCC1	883063741	ASNZNBIKVRYMOG-UHFFFAOYSA-N	306.366	1.090	50	20	DDGD	
COc1ccc(C)nc1NC(=O)NNc1cc(Cl)nc(N)n1	789198888	PIUKVZHRGRVOKG-UHFFFAOYSA-N	323.744	1.573	50	20	DDGD	
CCOc1cccc(CCNS(=O)(=O)CCCCl)n1	881987714	DPARWQVCLGFFSG-UHFFFAOYSA-N	306.815	1.571	50	20	DDGD	
COCCOCc1cccc(NC(=O)NN=c2cc[nH]cc2)c1	782020396	WZMLIKBJHPLROW-UHFFFAOYSA-N	316.361	1.815	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNC(=O)C2CCOCC2)cc1	883066045	HTEVZQRJKCSDTF-UHFFFAOYSA-N	320.389	1.547	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCCOc2cc(F)ccc21	781585403	MITYNDDDNMGXRP-UHFFFAOYSA-N	319.336	1.441	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)C2CC2)cnn1-c1ccccc1	784993929	MVEGYNUBIALYHP-UHFFFAOYSA-N	312.373	1.996	50	20	DDGD	
CC(=NNC(=O)CSc1nc(C)cc(C)n1)[C@H]1CCCO1	783791483	VSEBDXWRWFRKBC-GFCCVEGCSA-N	308.407	1.857	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(C(=O)OC)c(C)c1	899341642	GERBNMMAKPHZAV-ACLQVGRQSA-N	316.357	1.840	50	20	DDGD	
CO[C@]1(C(=O)NNCC(F)(F)C(F)(F)F)CCSC1	899142843	UORWPXGKFOZUBZ-SSDOTTSWSA-N	308.272	1.327	50	20	DDGD	
COc1cc(NNC(=O)N[C@H](C)c2ncnn2C)ccc1Cl	789232949	XOXOKSFDUGJYMJ-MRVPVSSYSA-N	324.772	1.864	50	20	DDGD	
Cc1cnc(NC(=O)C(=O)NNc2cc(Cl)ccn2)s1	784856510	PBBBOYPMEDXEKF-UHFFFAOYSA-N	311.754	1.582	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2O)n1	794081572	JIJWZLZRRXXDLY-UHFFFAOYSA-N	316.273	1.079	50	20	DDGD	
CSSCCNC(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O	790881459	DTWBPNQLPIJKSD-DTWKUNHWSA-N	314.498	1.461	50	20	DDGD	
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1cc(C)on1	790297120	LACGOUZWTKMKGK-UHFFFAOYSA-N	304.262	1.751	50	20	DDGD	
O=C(CCOc1cccc(F)c1)NNC(=O)C1CCOCC1	894097366	KLGZOAMUOIGSNE-UHFFFAOYSA-N	310.325	1.169	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	796538649	GQAOQAAFGWZLAF-HZSPNIEDSA-N	316.467	1.695	50	20	DDGD	
Cc1cccnc1NNC(=O)CCn1cnc2ccccc2c1=O	791214485	HSEBYWNEJYJXFD-UHFFFAOYSA-N	323.356	1.633	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1nnc2ccccc2n1	798170129	KWQCUODGLQSCBB-UHFFFAOYSA-N	301.697	1.225	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21	795586359	DCEVGSZWFCCULN-HZSPNIEDSA-N	311.426	1.960	50	20	DDGD	
N#C/C(=C/c1ccc2c(c1)NC(=O)CO2)C(=O)C1CCOCC1	794952879	IJTCVCXVKIULJQ-QPEQYQDCSA-N	312.325	1.920	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H]1Cc2ccc(F)cc21	793763370	AXWTUCAODHLYNY-LLVKDONJSA-N	313.423	1.324	50	20	DDGD	
COc1c(C(=O)NNc2cc(C)nc(C)n2)cccc1[N+](=O)[O-]	795113620	PDUDAPFVOZJQDB-UHFFFAOYSA-N	317.305	1.767	50	20	DDGD	
O=C(CCO)NN=Cc1ccc(Cl)c(Br)c1	1319838019	NQKWWIKXIQQXEX-UHFFFAOYSA-N	305.559	1.935	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2oc(C(C)C)nc2C#N)o1	1319877501	ANRGEXWHLLPVCL-UHFFFAOYSA-N	318.289	1.806	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1ccn(-c2ccncc2)n1	1326465399	KNVNGLUHJXGGMO-UHFFFAOYSA-N	313.361	1.609	50	20	DDGD	
CC(=NNC(=O)c1n[nH]c2c1CCCC2)C(C)(C)n1cncn1	1322444804	AEKPEIYVKCCBTN-UHFFFAOYSA-N	315.381	1.421	50	20	DDGD	
COc1nccnc1NNC(=O)c1cnn(C2CCCCC2)c1	1320364934	RENDPIJTAHDXJS-UHFFFAOYSA-N	316.365	1.944	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C2(c3cccc(C#N)c3)CC2)n1	1321062152	PPGYMQQOMVREQZ-UHFFFAOYSA-N	320.352	1.755	50	20	DDGD	
NCCCCNC(=O)NNc1ccc(Br)c(F)c1	1328729131	QHGPIXWKMASYPT-UHFFFAOYSA-N	319.178	1.953	50	20	DDGD	
Cn1ccc(NNC(=O)Cc2cc(Cl)c3c(c2)OCCO3)n1	1321389363	WCVVLNJERBKAJW-UHFFFAOYSA-N	322.752	1.531	50	20	DDGD	
CC(C)=CCNC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1329528571	SLRUTONOFSCNSV-JOYOIKCWSA-N	303.200	1.359	50	20	DDGD	
CCCCCNC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1328615717	QVJZLHDDOKPEAZ-BXKDBHETSA-N	305.216	1.583	50	20	DDGD	
O=C(NNc1ncncc1F)[C@H]1COc2ccc(F)cc2C1	1330459285	KOBYUYYNQYAHNO-SECBINFHSA-N	306.272	1.449	50	20	DDGD	
CCCN1CCC[C@H](C(=O)NNc2nncc(N)c2Cl)C1	1332098379	ALZGGBNJJNASRD-VIFPVBQESA-N	312.805	1.277	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ncoc1[C@H]1CCCO1	1334747003	LVARGGPGMDYULR-MRVPVSSYSA-N	312.395	1.434	50	20	DDGD	
Cc1nc(N2CCCCC2)sc1C=NNC(=O)c1cn[nH]c1	1331723280	QYDSXWLTCNCXDY-UHFFFAOYSA-N	318.406	1.929	50	20	DDGD	
CSC[C@H](C)NC(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1261766135	AQBPDGGFLDEEQI-RNSXUZJQSA-N	323.256	1.144	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](C)c1ccc(OC)cc1OC	1346909340	IDEPHAWRVJXCEV-SECBINFHSA-N	311.338	1.677	50	20	DDGD	
Cc1cc(C(=O)NNc2ccn(C)n2)n(C2CCOCC2)n1	1261842717	HPZFQTMBUKKWJI-UHFFFAOYSA-N	304.354	1.033	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)Cc2ccccc2C)c(C)n1	1346907159	JVDTUNJPSWHRFT-UHFFFAOYSA-N	314.389	1.914	50	20	DDGD	
C[C@@]1(COC(=O)c2ccoc2CC(N)=O)C[C@H]1Br	1344049464	PMIXYTOQACFTMQ-SKDRFNHKSA-N	316.151	1.638	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1cccn(CC(=O)O)c1=O	1605340682	MMRTUVGQXANNAM-UHFFFAOYSA-N	319.292	1.137	50	20	DDGD	
COc1ccc(NC(=O)NNc2ccc(C(=O)O)cn2)cc1	1607274183	IOQQYSBUBHZAKS-UHFFFAOYSA-N	302.290	1.937	50	20	DDGD	
Cc1cc(C=NNC(=O)c2cn[nH]c2)cc(C)c1OCC(=O)O	1600185849	XNZJHQGKOHJIIJ-UHFFFAOYSA-N	316.317	1.254	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNc2ccccc2C(=O)O)C1	1609881651	BAMWJINRSUDITG-SNVBAGLBSA-N	305.334	1.086	50	20	DDGD	
COCCC(C)(C)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1605079466	WKQZKSBHTNFLFP-UHFFFAOYSA-N	304.354	1.373	50	20	DDGD	
Cn1cc2c(n1)CCC[C@@H]2C(=O)NNc1ncccc1C(=O)O	1605501295	LBPCBXOCINFDGE-VIFPVBQESA-N	315.333	1.077	50	20	DDGD	
COc1cccc(CC(=O)NNc2cccc(C(=O)O)c2)n1	1607316902	AAVALBLYELKTBX-UHFFFAOYSA-N	301.302	1.474	50	20	DDGD	
C[C@@H]1CCc2[nH]nc(C(=O)NNc3cccc(C(=O)O)c3)c2C1	1604763225	JWUGWOXSTOHITO-SECBINFHSA-N	314.345	1.990	50	20	DDGD	
O=C(O)c1cc(C(=O)NNc2ccc(F)cn2)cc([N+](=O)[O-])c1	1602246985	HDWBOYDXENAJOT-UHFFFAOYSA-N	320.236	1.584	50	20	DDGD	
C=C(CBr)CN1CC[C@H](n2cc(C(=O)O)nn2)C1	1609257926	SQYKPOJDAONHCR-VIFPVBQESA-N	315.171	1.174	50	20	DDGD	
O=C(O)C1CC2(C1)C[C@H](NS(=O)(=O)CCl)CCS2	1608614841	SDAQFQNGNHQMCD-CCNFQMFXSA-N	313.828	1.231	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1O	1607731919	LJOVZDJTEQDXRR-NWDGAFQWSA-N	320.345	1.353	50	20	DDGD	
Cn1ccnc1CCC(=O)NNc1ccc(F)c(C(=O)O)c1	1600985856	RCGKLQQLCZQOSZ-UHFFFAOYSA-N	306.297	1.333	50	20	DDGD	
O=C(NNc1cccc(F)c1C(=O)O)c1ccc2nncn2c1	1601560542	MITOTQHIRWHDFF-UHFFFAOYSA-N	315.264	1.324	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC	1604413194	CJALHXVKTHSRHO-NTMALXAHSA-N	314.305	1.258	50	20	DDGD	
O=C(O)c1ccc(Cl)c(C(=O)NN=c2cc[nH]cc2F)c1	1602355919	GZNJFDRVSJSVCT-UHFFFAOYSA-N	309.684	1.751	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@@H]1CN1C[C@@H](C(=O)O)C[C@@H](c2cnn(C)c2)C1	1603354214	GNEZQTCCBYLWAV-CDCRFNPESA-N	311.813	1.784	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc(-c2nn[nH]n2)cc1	1609092478	LVQSERWADKILDN-UHFFFAOYSA-N	303.326	1.066	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1cnc(C)nc1C	1610288000	SUUYQYQQRXPIJL-UHFFFAOYSA-N	316.317	1.557	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(Cl)Cl)[C@H]1C[C@H]1F	1802344340	XTCUTRFTXOFFAW-CVPUBMOQSA-N	323.195	1.786	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)NN=C1CCCOC1	1549320831	QFOHYGRLODIPLY-GXTWGEPZSA-N	306.366	1.170	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@@H]1F)[C@@H](F)Cl	1801495580	DZTCOUHYTJDKAS-HQPKYVJOSA-N	306.740	1.517	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)C1(C2CCNCC2)CC1	1579804734	JXHVAMHNTVFNJM-UHFFFAOYSA-N	316.405	1.928	50	20	DDGD	
O=C(CC[C@@H]1CCCNC1)NNC(=O)c1cc2ccccc2o1	1580527597	AHLOIHVLCPGCOG-LBPRGKRZSA-N	315.373	1.974	50	20	DDGD	
O=C([C@H]1C[C@H]1F)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846388555	WJONGGQYTZPBMA-JGVFFNPUSA-N	309.168	1.352	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccccc1C(=O)O)c1cnn(C)c1	1592251370	BLJJLJZUVQXJNQ-JTQLQIEISA-N	302.334	1.755	50	20	DDGD	
O=C(NN=Cc1ccc(-c2nn[nH]n2)cc1)NC1CCCCC1	1593155248	HMZPNQQPRYVJRF-UHFFFAOYSA-N	313.365	1.833	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNC(=O)NC2CCCCC2)c1	1594288525	UPOWDNQKUDPMMZ-UHFFFAOYSA-N	319.361	1.970	50	20	DDGD	
O=C(COc1ccc(Cl)cc1)NNc1ncccc1C(=O)O	1594702587	PTHRKHCFPXSMAF-UHFFFAOYSA-N	321.720	1.955	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H]2CC=C(C(=O)O)C2)cc1	1597500912	CTFIPMOXGMHVBX-CYBMUJFWSA-N	317.345	1.366	50	20	DDGD	
CC(CC1(C(=O)O)CCC1)=NNC(=O)c1nc[nH]c2ncnc1-2	1776105057	MXFQLCIJXYJPSK-UHFFFAOYSA-N	316.321	1.055	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cc(C(=O)O)c(C)o1	1776029289	DFQVZDALQGIQDV-UHFFFAOYSA-N	308.319	1.397	50	20	DDGD	
Cn1ncc(C(=O)O)c1C=NNC(=O)c1ccc(O)c(Cl)c1	1776044561	XYNURRDKCWTKOG-UHFFFAOYSA-N	322.708	1.241	50	20	DDGD	
O=C(CC1CC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl	1796804410	RYLKAMSGHSLJDE-NOHGZBONSA-N	302.777	1.959	50	20	DDGD	
CC(C)(C)CC(=O)NCC(=O)NNc1cnc2ccccc2n1	163553774	AFTTWQQWKURBJK-UHFFFAOYSA-N	315.377	1.625	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)C1(O)CCSCC1	163939175	RNBNBVQIGLLKKM-UHFFFAOYSA-N	320.374	1.438	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)CCOc2ccccc2)[nH]n1	153201874	MCOYLHGOMCBWCO-LLVKDONJSA-N	316.361	1.584	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])Nc1nnc2ccccn12	159785335	XLLZGHMTMAEONO-UHFFFAOYSA-N	313.277	1.786	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)Cc2cccnc2)c1C	103424835	SZIOIFNSQMOWAE-UHFFFAOYSA-N	314.345	1.233	50	20	DDGD	
Cc1[nH]c(=S)sc1CC(=O)NNC(=O)Cc1cccnc1	103456791	WDJAVBZLRDZBLH-UHFFFAOYSA-N	322.415	1.442	50	20	DDGD	
C[C@@H](CNC(=O)NNc1cccnn1)N(C)c1ccccc1	172352074	JBZGEBMJXOLEMN-LBPRGKRZSA-N	300.366	1.628	50	20	DDGD	
O=C(NNc1ncccc1Cl)c1cc([N+](=O)[O-])cnc1O	114887065	IAWIQENLCPBKGW-UHFFFAOYSA-N	309.669	1.501	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cn(C)nc2C)c(C)c1	113414784	NKQKWQZVMWCWAD-UHFFFAOYSA-N	315.377	1.218	50	20	DDGD	
C[C@H]1CN(CC(=O)NNC(=O)c2cccs2)CC(C)(C)O1	65425387	QCNYNKJZHZFLFS-JTQLQIEISA-N	311.407	1.008	50	20	DDGD	
O=C(CCC1CCC1)NNC(=O)Cc1cn2ccccc2n1	177028067	CFUIALXOWYRJRS-UHFFFAOYSA-N	300.362	1.605	50	20	DDGD	
Cc1oc(-c2ccccc2)nc1CC(=O)NNC(=O)NC1CC1	64427871	CEECTXHWEBYAPJ-UHFFFAOYSA-N	314.345	1.685	50	20	DDGD	
CCCC[C@H]1CCC[C@H]1NC(=O)NNC(=O)C1CCNCC1	1261375579	SXKGLUULZCEPPS-GXTWGEPZSA-N	310.442	1.675	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)c1cccc(F)c1	173893801	ZNFNGBYTANEJAE-UHFFFAOYSA-N	312.304	1.477	50	20	DDGD	
CCc1nnsc1C(=O)NNC(=O)c1ccccc1OC	67430755	OCQLHADMLPFMAB-UHFFFAOYSA-N	306.347	1.184	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)N3CC[C@H]3CO)cc2C1	1263063101	MJVOZXJWDQWXBS-ONGXEEELSA-N	323.418	1.294	50	20	DDGD	
CC[C@@H]1CN(C(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)CCO1	63734405	ZQZKWPPTDNGAHE-ACQAZONXSA-N	312.373	1.750	50	20	DDGD	
CCOc1ncccc1NC(=O)C(=O)NNc1cccc(F)c1	120907166	JOSKCDIBJQULMV-UHFFFAOYSA-N	318.308	1.701	50	20	DDGD	
CSC[C@@H](C)C(=O)NNC(=O)c1cc(Br)c[nH]1	66819602	BAXLIYPGDFEJMH-ZCFIWIBFSA-N	320.212	1.537	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)NCc2ccoc2)c1	181648070	WZKYAGYBQLELIB-UHFFFAOYSA-N	309.347	1.509	50	20	DDGD	
C=CCNC(=O)c1ccc(NC(=O)NNC(=O)[C@H](C)CC)cc1	184477338	SAKPZFBMOGPPAS-LLVKDONJSA-N	318.377	1.801	50	20	DDGD	
O=C(CN1C(=O)CCc2ccccc21)NNc1ncc(F)cn1	123270397	HYCSFYYDAKZFRO-UHFFFAOYSA-N	315.308	1.038	50	20	DDGD	
CCn1ncc2ccc(NC(=O)NNC(=O)c3ccc[nH]3)cc21	184666929	MTJAROZJKHNXJK-UHFFFAOYSA-N	312.333	1.851	50	20	DDGD	
CCc1ncc(C(=O)NNC(=O)COCc2ccccc2)s1	124447925	PXAMOSJVGRHYOQ-UHFFFAOYSA-N	319.386	1.683	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cc(F)ccc1[N+](=O)[O-]	77710340	WCWHUAVOZPLNAT-SSDOTTSWSA-N	319.314	1.090	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CCc1nc(-c2ccccn2)no1	127275851	HNJJQXRVOOPNLU-UHFFFAOYSA-N	317.349	1.258	50	20	DDGD	
O=C(CCc1nc(-c2ccoc2)no1)NNc1ccnc(F)c1	182500903	YYXYUPBBAOTMCI-UHFFFAOYSA-N	317.280	1.940	50	20	DDGD	
COCc1c(Br)cccc1NC(=O)NNC(C)=O	181969117	YVARWKHRAINLDR-UHFFFAOYSA-N	316.155	1.768	50	20	DDGD	
CCc1nc(NC(=O)NNC(=O)c2cc(C)n[nH]2)sc1C	186269730	UIFCWIZVMHIYCQ-UHFFFAOYSA-N	308.367	1.512	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(C)c(-n2cnnn2)c1	183616529	UZGQJSCATQFEBU-VIFPVBQESA-N	317.353	1.170	50	20	DDGD	
COc1cccc(CNC(=O)NNc2nc(C)cc(C)n2)c1	31023798	VWXZCNZTVOFPAY-UHFFFAOYSA-N	301.350	1.928	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)NC(=O)/C(C#N)=C\c1ccc(F)cc1	182977309	TXZOEZGYIIEEOF-BZPKPHBRSA-N	310.350	1.282	50	20	DDGD	
Nc1ccc(NS(=O)(=O)CCCCCl)cc1[N+](=O)[O-]	187577183	NZUGZKHGCLBMBC-UHFFFAOYSA-N	307.759	1.938	50	20	DDGD	
CCc1ccc(C(=O)NNc2cnccn2)cc1S(C)(=O)=O	130258383	ZBXYGCSWMSANFC-UHFFFAOYSA-N	320.374	1.199	50	20	DDGD	
COC(=O)C[C@H]1CSCCN1C[C@H](C)CBr	133906617	RWBXIKWCGOGRBT-ZJUUUORDSA-N	310.257	1.998	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCc1ncccc1F	132252300	XKPMHIJQEPIHGK-UHFFFAOYSA-N	320.299	1.433	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)Cn2ccc3ccccc32)o1	81355208	RGFHZNTUBGMRDE-UHFFFAOYSA-N	312.329	1.707	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1	194059588	GXVKWAVUVMENGA-YRGRVCCFSA-N	317.455	1.194	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)c1cccnc1)c1ccccc1F	191851124	MZDOWHVCORTTPZ-MRXNPFEDSA-N	317.320	1.544	50	20	DDGD	
CC[C@H](NNC(=O)[C@H](C)Oc1cccc(C)c1C)C(=O)OC	192828712	QPSZGBPBYJYLCV-STQMWFEESA-N	308.378	1.643	50	20	DDGD	
Cc1noc2nc(C(C)C)cc(C(=O)NNC(=O)C(C)(C)O)c12	192928050	FENCFZDTGUYKBV-UHFFFAOYSA-N	320.349	1.187	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)N[C@H]1CC[C@H](O)CC1	245508606	JJBWFHNJCWMONV-SHTZXODSSA-N	319.405	1.643	50	20	DDGD	
CON=Cc1ccc(C(=O)NNC(=O)NC2CCCCC2)cc1	255168907	HELFTTVGNSQPSP-UHFFFAOYSA-N	318.377	1.944	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CCOC1CCOCC1	267721090	BYCCTHKMAXVBGU-UHFFFAOYSA-N	322.361	1.042	50	20	DDGD	
N#Cc1cccc(-c2cc(C(=O)NNC(=O)C3CCC3)on2)c1	279087438	RRZSLGQXGQBRMA-UHFFFAOYSA-N	310.313	1.774	50	20	DDGD	
N#CCCCNC(=O)NNC(=O)CSc1ccccc1O	273023915	AYBAJGLAPJLAIA-UHFFFAOYSA-N	308.363	1.118	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1cnn(CC(C)C)c1	276865063	VBTRMXRTJLCRIH-UHFFFAOYSA-N	316.365	1.324	50	20	DDGD	
CC(C)OCCNC(=O)NNc1cccc(S(C)(=O)=O)c1	273578632	NQODPDQKJCBEHU-UHFFFAOYSA-N	315.395	1.141	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C1CCN(Cc2ccccc2)CC1	271256333	GZEWYNPTAFTKHU-UHFFFAOYSA-N	318.421	1.591	50	20	DDGD	
Cn1cc([C@H]2OCC[C@@H]2C(=O)NNc2ccc(C#N)cc2)cn1	275996912	OQSIMAWIQJDSGF-LSDHHAIUSA-N	311.345	1.513	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)NC(C)C)c1-c1ccccc1	277185737	SQTYVBSWLIFSGF-UHFFFAOYSA-N	315.377	1.922	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NC[C@@H]1CN(C)CCN1C	274528300	QBCGHKFFCSWKGS-GFCCVEGCSA-N	309.389	1.006	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@H]1CC[C@@H](C(N)=O)O1	281224470	OOISWJSKVWAHBI-QWHCGFSZSA-N	314.345	1.019	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)Nc1nccn(C)c1=O	281767718	JWWVFNNVVDGPEL-UHFFFAOYSA-N	301.350	1.800	50	20	DDGD	
Cc1nc(C)n(C2CN(S(=O)(=O)CCCCCl)C2)n1	375070703	OJMYHXVXQMGABU-UHFFFAOYSA-N	306.819	1.100	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@H]1Cc2cc(F)ccc2O1	374005930	MVCWUTYCZRQZIG-SECBINFHSA-N	321.230	1.022	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2cccc(C3CCC3)c2)CC1	288108280	XPRVFCAHGKBRJY-UHFFFAOYSA-N	316.405	1.556	50	20	DDGD	
C[C@@H](CNC(=O)NNc1cccc(F)n1)N1CCC[C@@H](C)C1	286690382	LTFKXVXIOCPMGY-NEPJUHHUSA-N	309.389	1.967	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@H](CCO)CC(C)C)n1	280265203	LOOQFMFKOBSDMR-CYBMUJFWSA-N	322.409	1.379	50	20	DDGD	
Cc1noc(C)c1C(C)(C)C(=O)NNC(=O)Cc1ccncc1	281668292	NWOBNKMBBYZJIA-UHFFFAOYSA-N	316.361	1.354	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)N(C)CC(F)(F)F)nc(C)n1	287365378	BKZRWQBJKDVSRE-QMMMGPOBSA-N	305.304	1.419	50	20	DDGD	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)COC)ccc1O	298592316	CDOPNYNQEKGCEU-ZTFCMROMSA-N	304.346	1.849	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)CCc1ccccc1)C(C)(C)C	808314849	JZGLBLODQGLEAB-AWEZNQCLSA-N	301.390	1.998	50	20	DDGD	
COCCC1(C(=O)NNC(=O)N=c2cc[nH]cc2)CCCC1	802025780	HERBYHWLPAFWAS-UHFFFAOYSA-N	306.366	1.253	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)NCC2(c3ccccc3)CC2)O1	297729703	ZHLUJQBQFCQSPA-JSGCOSHPSA-N	317.389	1.616	50	20	DDGD	
C#CCN(C)CCCNC(=O)NNc1ccc(OCC)cc1	297562309	SAYHZARKRIRMPE-UHFFFAOYSA-N	304.394	1.667	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)COCc1cccnc1	807195016	RTJWGCZIKQNJBC-UHFFFAOYSA-N	315.329	1.528	50	20	DDGD	
COc1cncc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)n1	802015489	OEWLFJGRXSTKGF-UHFFFAOYSA-N	321.724	1.605	50	20	DDGD	
Cc1nn(C(F)F)c(C)c1CC(=O)NNC(=O)CC(C)C	299254334	FJOXDYSFXGPBFZ-UHFFFAOYSA-N	302.325	1.631	50	20	DDGD	
CCCSCC(=O)OCC(=O)NNC(=O)c1cccs1	801323479	KQUVRLIRZMELGB-UHFFFAOYSA-N	316.404	1.196	50	20	DDGD	
O=C(NC[C@@H]1CCOC1)NNc1cc(C(F)(F)F)ccn1	296339061	MGKGJTNYPQJCGM-QMMMGPOBSA-N	304.272	1.763	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)cn1	802005087	UWVPZMRUJUWFNH-UHFFFAOYSA-N	322.271	1.835	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)[C@H]1CCCCO1)c1ccncc1	297180109	JPWIFIRPFUQUPB-CHWSQXEVSA-N	306.366	1.432	50	20	DDGD	
Cc1ccc(NNC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1	298204259	XQXCUBNICZCKPA-KBPBESRZSA-N	315.373	1.613	50	20	DDGD	
CC[C@H](CNC(=O)NNc1ncccn1)NC(=O)OC(C)(C)C	297632036	BHDIARINXRBWTL-SNVBAGLBSA-N	324.385	1.406	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNC(=O)C1CCCC1)c1nncn1C	805351365	GXWUJNLCIPZNIX-LLVKDONJSA-N	308.386	1.033	50	20	DDGD	
CSc1ccc(NNC(=O)[C@@H]2OC[C@H]3COCC[C@H]32)cc1	295599446	HSUMCXBWLLSEHR-LERXQTSPSA-N	308.403	1.903	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=Cc1cccc2cc[nH]c12	814873622	KLYHKSBZTNAVMR-UHFFFAOYSA-N	321.340	1.443	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2cc(C)cc(C)c2)nn1C	817387258	YBSYLKXWJMHNFV-UHFFFAOYSA-N	315.377	1.681	50	20	DDGD	
O=C(NN=Cc1cccc2cc[nH]c12)C(=O)Nc1ccccn1	814869035	AWLRYUVJFORVPZ-UHFFFAOYSA-N	307.313	1.652	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc(F)c[nH]2)c(OC)c1	815467347	WQZCZIYIZAHFCG-UHFFFAOYSA-N	307.281	1.246	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNC(=O)c1ccc(Cl)cc1F	810468122	LXFQDBNIRPFYIE-ZDUSSCGKSA-N	300.717	1.567	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccc2c(c1)CCCC2=O	815881475	PDVMGMRKQRBZHJ-UHFFFAOYSA-N	300.293	1.892	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cccc(C(=O)O)c2Cl)n[nH]1	814788264	LDXHGEZMMBHYTQ-UHFFFAOYSA-N	320.736	1.763	50	20	DDGD	
CCOc1cc([N+](=O)[O-])c(C(=O)NN(C)C2CC2)cc1OC	819642153	BDLKAMGCAWTFDQ-UHFFFAOYSA-N	309.322	1.741	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)c2cccc(C#N)c2)cc1	728942277	OUDBVYUROHNWAO-UHFFFAOYSA-N	324.340	1.711	50	20	DDGD	
COc1ccc(CNC(=O)NNc2cccc(F)n2)c(OC)n1	811971173	ZBTIOJSWOCQPAC-UHFFFAOYSA-N	321.312	1.459	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)NCCCC(=O)O)cc1	817818204	RXRBZTRIGYTHFU-UHFFFAOYSA-N	321.377	1.793	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)COc1ccc(C)cc1	812449755	QVTIBJZJLTVHLY-QWHCGFSZSA-N	308.378	1.440	50	20	DDGD	
CCOC(=O)N1CCC(C(=O)NNC(=O)OC(C)(C)C)CC1	490556421	PMERQJRRIDNZSF-UHFFFAOYSA-N	315.370	1.411	50	20	DDGD	
NC(=O)c1ccc(C=NNC(=O)Cn2ccc3ccccc32)cc1	729637834	LLXGPYSWZCWGGG-UHFFFAOYSA-N	320.352	1.891	50	20	DDGD	
CCCN1CCC[C@H]1CNC(=O)/C(C#N)=C/c1cnn(C)c1	490971253	IPSJKBLAPZYQNN-NHXNDTTKSA-N	301.394	1.318	50	20	DDGD	
O=C(/C=C\c1ccc2[nH]ccc2c1)NNC(=O)Cc1cccnc1	492319569	NQMLVVKJZXJFRJ-XQRVVYSFSA-N	320.352	1.966	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)/C=C\[C@H]2CCOC2)cc1	493558934	QAQPZMKKIZJQTR-IRBQFCFKSA-N	304.346	1.114	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@]1(C)CC=CCC1	822194517	BMKIXRSJSXMBAX-KRWDZBQOSA-N	318.373	1.968	50	20	DDGD	
COCCOC[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(O)cc1	491085969	SOIMYQMURMBHKK-OJLMPMFISA-N	304.346	1.467	50	20	DDGD	
CCN(CCO)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1	823874152	MAJKXNKSABQSDG-UHFFFAOYSA-N	303.265	1.032	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)N[C@@H]2CO[C@@H](C)C2)cc1	828421883	SHFJRJNWNJOIOL-RYUDHWBXSA-N	323.418	1.595	50	20	DDGD	
CC(C)[C@H]1N(C(=O)c2ccc(B(O)O)c(F)c2)CC12CC=CC2	585003997	VASIVIVTZKXROP-OAHLLOKOSA-N	317.169	1.322	50	20	DDGD	
O=C(CC1COC1)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	901255406	JZUBVDTULLLAHE-UHFFFAOYSA-N	318.308	1.013	50	20	DDGD	
C[C@]1(C(=O)NNc2cc(Cl)ccc2Cl)CCNC1=O	821158823	SNZASSCWZNNHJT-LBPRGKRZSA-N	302.161	1.963	50	20	DDGD	
CC(C)c1nnc(NC(=O)/C(C#N)=C\c2cnn(C)c2)s1	491159677	JESPMLIRLMVACX-WMZJFQQLSA-N	302.363	1.941	50	20	DDGD	
O=C(NN=Cc1ccc(-c2nn[nH]n2)cc1F)NC1CCCC1	823273413	MNJSYQTYCHRDHY-UHFFFAOYSA-N	317.328	1.582	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NNc2ncccc2F)cc(C#N)n1C	491162937	UQVODXPNYOLJLU-SDQBBNPISA-N	324.319	1.790	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)Cc1csc(-c2cccc(F)c2)n1	823983376	RXJOKSFCIDQBPL-SNVBAGLBSA-N	323.393	1.836	50	20	DDGD	
Cc1ncsc1/C=C\C(=O)NNC(=O)Cc1ccccc1F	492712880	GTEWKJGUMOMKLM-SREVYHEPSA-N	319.361	1.994	50	20	DDGD	
Cc1cccc(-n2ncc(C(=O)N3CC[C@H](B(O)O)C3)c2C)c1	585069132	LHXUETWNCSWHGK-ZDUSSCGKSA-N	313.166	1.178	50	20	DDGD	
CC(C)OC(=O)[C@@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(C)C	490975808	PVMAMVVWBYVRDB-XMRSSTEGSA-N	318.377	1.419	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N(CCO)Cc1cccnc1	490979761	YZPIKPDUFXYMTM-MHWRWJLKSA-N	323.352	1.715	50	20	DDGD	
CCNC(=O)NN=C(C)c1ccc(S(=O)(=O)C(F)F)cc1	735229410	FDEYGVXXUOGTIT-UHFFFAOYSA-N	319.333	1.726	50	20	DDGD	
CC(C)CCN(C(=O)c1ccc(B(O)O)c(F)c1)C1CCCC1	584938106	WKTZQQCNGANKRG-UHFFFAOYSA-N	321.201	1.936	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)/C=C\c2ccc3[nH]ccc3c2)cn1	492270924	FOCPJWZUGZYMEY-HYXAFXHYSA-N	309.329	1.376	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2C[C@H]2C(=O)O)c(Cl)c1	832948384	JZWGCOAASYQIMY-HTQZYQBOSA-N	311.725	1.522	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCCC12CCCCC2	834953563	JQWSBNGMHWKSSV-NSHDSACASA-N	315.439	1.531	50	20	DDGD	
CO[C@H](c1nc(-c2ccc(B(O)O)cc2)no1)C1CCCC1	585051923	OXZYQXULTISZBG-ZDUSSCGKSA-N	302.139	1.294	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)N[C@H]1C[C@@H]2CCCCN2C1=O	838741318	GIBQQHGIHAKUIT-QWRGUYRKSA-N	323.784	1.515	50	20	DDGD	
O=C(NNS(=O)(=O)c1sccc1Cl)[C@@H]1CCCCO1	830037004	IVMZZYQPMFWMLI-QMMMGPOBSA-N	324.811	1.280	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1ccc(Cl)nc1)c1cnn(C)c1	839545549	VYJRJADXQUALAC-SECBINFHSA-N	321.768	1.423	50	20	DDGD	
CCn1cc([C@H](C)N[C@@H](C)C(=O)NNC(=O)CC(C)C)cn1	832313315	HZIMIVLOZJAFSE-RYUDHWBXSA-N	309.414	1.136	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNc1ccc(C(=O)OC)cc1F	837206494	DBPAYJJVQJJVEG-UHFFFAOYSA-N	320.324	1.665	50	20	DDGD	
C[C@]1(C(=O)NNc2nc3ccccn3n2)C[C@H]1Br	907697286	JUGCQARUNTVOAF-HQJQHLMTSA-N	310.155	1.346	50	20	DDGD	
CC(C)N(C[C@@H]1C[C@H]2C=C[C@H]1C2)C(=O)c1ccc(B(O)O)cc1	584945538	JRMGWEYOXZDTSI-BPUTZDHNSA-N	313.206	1.429	50	20	DDGD	
C[C@]1(NC(=O)c2cccc(B(O)O)c2)CCCc2ccccc21	584971749	DGMLNNRGIDOMRB-SFHVURJKSA-N	309.174	1.348	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)Cn1ccc2ccccc21	739556742	SQMYSLKZZQJLGW-UHFFFAOYSA-N	312.329	1.653	50	20	DDGD	
N#CCc1ccc(NC(=O)NNC(=O)[C@H]2CCCCO2)cc1	836245707	PYTLVCSYCAERCJ-CYBMUJFWSA-N	302.334	1.474	50	20	DDGD	
CCNC(=O)CCCC(=O)NN=c1cc[nH]c2ccccc12	730289472	YCPRUHLYQWJGAV-UHFFFAOYSA-N	300.362	1.406	50	20	DDGD	
C[C@@H](C(=O)O)n1cccc1C=NNC(=O)CNc1ccccc1	833408328	SQMVDMKFXCZYNZ-LBPRGKRZSA-N	314.345	1.696	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@H]2CCCCO2)cnn1CCC(C)C	833246589	NIYDRPUKICEMKS-CQSZACIVSA-N	322.409	1.568	50	20	DDGD	
CCOCCCN1CCC(=NNC(=O)c2ccncc2)[C@H](C)C1	735223512	CVCCMFPLDGVBHO-CQSZACIVSA-N	318.421	1.936	50	20	DDGD	
Cc1ccc(NNC(=O)NCCOCCN(C)C)c(Cl)c1	838568659	VPWPNHJEVNKEFG-UHFFFAOYSA-N	314.817	1.853	50	20	DDGD	
CCn1cc([C@@H](C)NC(=O)NNc2ncc(F)cc2F)cn1	838706557	YYBWHUALAQQIGR-MRVPVSSYSA-N	310.308	1.964	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccc(Cn2cccn2)o1	915857282	RCHZTFHUELDOCX-UHFFFAOYSA-N	302.334	1.476	50	20	DDGD	
Cc1ccc2c(c1)CN(CC(=O)NNC(=O)C(C)C)C(C)(C)C2	830033598	DCLWHBYJCUZIJS-UHFFFAOYSA-N	317.433	1.935	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C(=O)NNC(=O)C2CCCC2)c1C	914848837	CPWZTKONCYNAOG-UHFFFAOYSA-N	321.377	1.759	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(CN2CCCCC2=O)cc1	910171049	RHHQBEWCLIHOKP-CYBMUJFWSA-N	319.405	1.157	50	20	DDGD	
Cc1c(NNC(=O)COC[C@@H]2CCCO2)cccc1[N+](=O)[O-]	748693317	LAEIECGJUSAUCP-NSHDSACASA-N	309.322	1.542	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1nn(-c2ccc(F)cc2F)cc1O	748012512	KIWYEOOWLBIPJF-UHFFFAOYSA-N	322.271	1.027	50	20	DDGD	
O=C(Cc1cccc([N+](=O)[O-])c1)NNC(=O)CC(F)(F)F	743317938	RPPNUUMDGLWVAD-UHFFFAOYSA-N	305.212	1.237	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(Cl)cc1F)c1nncn1C	914164393	FIOIJZKJILZTBR-SSDOTTSWSA-N	312.736	1.995	50	20	DDGD	
CCc1noc2ncc(C(=O)NNC(=O)C3CCCC3)cc12	918400054	WWOKVVIMFFXYRO-UHFFFAOYSA-N	302.334	1.736	50	20	DDGD	
COc1cc(C#N)ccc1OCCCC(=O)NN(C)C[C@H](C)O	910170502	KSRMOSIYDMJSEZ-LBPRGKRZSA-N	321.377	1.070	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2ccc(CCN)cc2)o1	841926517	BAMUOAQTGGJTLG-UHFFFAOYSA-N	316.361	1.233	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1ccnn1CC(C)C	843565698	SMHIDLNIKUBYTN-UHFFFAOYSA-N	314.389	1.851	50	20	DDGD	
Cc1cccnc1C(F)(F)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843655891	ODCGJHHNGJLJFN-UWVGGRQHSA-N	313.304	1.054	50	20	DDGD	
CCn1c(C(C)=NNC(=O)C(=O)NC2CC2)nc2ccccc21	741462038	INWKDYBHRQEJJN-UHFFFAOYSA-N	313.361	1.175	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cnc(C3CC3)s2)n1	740102154	DEAKISNRCIUIDY-UHFFFAOYSA-N	304.379	1.633	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc([N+](=O)[O-])cc1	740762375	NVZWQGXOMZMSNO-UHFFFAOYSA-N	306.322	1.350	50	20	DDGD	
Cc1ccc(C(=O)N[C@H](C(=O)NN(C)C[C@@H](C)O)C(C)C)cc1	910181711	CPOPOEOSCCJKTB-HIFRSBDPSA-N	321.421	1.093	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H]2CCCCN2)c1	841920021	AGOPKQBROZDMHO-ZDUSSCGKSA-N	306.366	1.241	50	20	DDGD	
CC(C)(O)CCNC(=O)NNc1ncc(Br)cn1	847356986	VJKTVOZQIWJDLY-UHFFFAOYSA-N	318.175	1.026	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@@H]1CCO[C@@H](c2ccccc2)O1	847620140	HLYQGZXWBHHOMN-GXTWGEPZSA-N	318.308	1.563	50	20	DDGD	
CCOc1ccc(NNC(=O)NC[C@@]2(COC)CCCN2)cc1	841996354	KNWDMPFMBFLGPH-MRXNPFEDSA-N	322.409	1.480	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C)[C@H](C)CSc1ccccc1	844362008	WJQBBTOXFOOXRR-CYBMUJFWSA-N	323.462	1.902	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F	742463659	UKZAGLWDTISFND-LURJTMIESA-N	305.212	1.554	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C(=O)NNc2ncccn2)c1C	913040066	GAZUCCLFGLMZKQ-UHFFFAOYSA-N	303.322	1.355	50	20	DDGD	
CC(C)N(C)c1ccc(C=NNC(=O)[C@H]2CCO[C@H]2C)cn1	842558667	HBTLISSPWRTOSR-JSGCOSHPSA-N	304.394	1.801	50	20	DDGD	
C/C=C/C=C\C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	744489381	HOTKSIADNDSTQM-BEHOXYOFSA-N	302.330	1.432	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccc(Cn2cncn2)cc1	914843549	LQTJFGAUIDDTOR-UHFFFAOYSA-N	313.361	1.278	50	20	DDGD	
COc1ccc(-c2cc(C(=O)NN(C)C[C@@H](C)O)no2)cc1	910181907	FGXPBFWLXUPPIK-SNVBAGLBSA-N	305.334	1.308	50	20	DDGD	
Cn1ccnc1[C@H](CC(=O)NNC(=O)C(C)(C)C)C(F)(F)F	847345550	JYFOFUZXHXUCBE-QMMMGPOBSA-N	320.315	1.650	50	20	DDGD	
CN(C)N(C(=O)[C@@H]1C[C@H]1CC(C)(C)C)[C@H]1CCS(=O)(=O)C1	843519589	HCQBYZBADWFFHM-RWMBFGLXSA-N	316.467	1.551	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)C(=O)NC(C)C)cc1OC	744812070	DSCAUFOWXQPOEE-UHFFFAOYSA-N	321.377	1.459	50	20	DDGD	
Cc1ccc(-n2nc(C(=O)NN(C)C[C@H](C)O)cc2C)cc1	910151622	GWDVMRHLNODLNW-ZDUSSCGKSA-N	302.378	1.447	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)ccc1C	843654944	KNULLNOUVOQRQA-WCQYABFASA-N	304.346	1.384	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1cc(C)c(F)c(C)c1	741455647	NFHBRBMNKFXDBO-UHFFFAOYSA-N	305.353	1.905	50	20	DDGD	
COC/C(C)=C/C(=O)NNC(=O)Cn1ccc2ccccc21	844374652	CLSGNNFVGHRZDC-FMIVXFBMSA-N	301.346	1.381	50	20	DDGD	
CO/C(=C/c1ccccc1)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843973803	ZONPMCLMTFKOKK-AELGOHDMSA-N	304.346	1.246	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=C1CC[C@@H]2CCCC[C@H]2C1	743448043	WAINXZOFQVEUQI-QWRGUYRKSA-N	318.377	1.893	50	20	DDGD	
CCCOc1cc(F)ccc1NC(=O)NNC(=O)CCCN	841146076	NAOJMOPKUMFYEU-UHFFFAOYSA-N	312.345	1.506	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)NCc1ccon1	747593952	HJPWZOAHAUGSBS-UHFFFAOYSA-N	313.317	1.229	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)C2CCC2)ccc1Cl	848452115	KSNFJJGECINMKF-UHFFFAOYSA-N	302.783	1.758	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)OCCc2ccnn2C)cc(C#N)n1C	759902185	CYWAWJAHVAPJAM-RIYZIHGNSA-N	323.356	1.632	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccc(C#N)cc2)nnc1C	756583645	PJDRQWORYKHIRF-UHFFFAOYSA-N	310.317	1.432	50	20	DDGD	
CCONC(=O)CNC(=O)NNc1ccc(Cl)cc1F	923081696	NALLXQLJSOFTCE-UHFFFAOYSA-N	304.709	1.173	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(OC2CCCC2)cc1	755722145	MIJUAFBLAYDNCH-UHFFFAOYSA-N	307.350	1.807	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)/C=C(/C)c1ccco1	854285666	PKNFQBBRQYPHEO-KHPPLWFESA-N	311.407	1.557	50	20	DDGD	
Cc1cc(NNC(=O)Cn2cc([C@@H](C)O)nn2)ccc1Cl	928341372	YNOQTYBKKGTGLR-SECBINFHSA-N	309.757	1.437	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C[C@H]1CCOc2ccccc21	752165708	MIULGVCAZBNWFZ-GFCCVEGCSA-N	317.389	1.960	50	20	DDGD	
CC[C@@H]1C[C@H](CC(=O)NNC(=O)OCC(F)(F)F)CCO1	856023131	ZNCBEONZGVGIBJ-RKDXNWHRSA-N	312.288	1.901	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ncoc1-c1ccon1)C1CC1	855096616	YYLPWRCILDVUSC-ZETCQYMHSA-N	321.362	1.237	50	20	DDGD	
Cc1cc(CCC(=O)NNC(=O)c2cccc(N(C)C)c2)no1	929390000	AUDPESWYJCWTKY-UHFFFAOYSA-N	316.361	1.443	50	20	DDGD	
C=CCOC[C@@H]1NC(=O)N(C[C@@]2(C)C[C@@H]2Br)C1=O	857227791	UQDBNMCQCKHGCS-HOTUBEGUSA-N	317.183	1.283	50	20	DDGD	
CCN1CCC[C@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)C1=O	928875144	PJISGHVWWMIALF-WVUXNXBLSA-N	315.348	1.860	50	20	DDGD	
CN(C)N(C(=O)C1CCC2(CC1)CC2)[C@@H]1CCS(=O)(=O)C1	854516707	PMXIIEGKIXUGBA-CYBMUJFWSA-N	314.451	1.449	50	20	DDGD	
Cc1ccc(/C=C\C(=O)NNC(=S)NCC2CCC2)cn1	855089418	QGBRDZKEHIKZMN-FPLPWBNLSA-N	304.419	1.699	50	20	DDGD	
CCCN1CC[C@H](NC(=O)NC[C@]2(C)C[C@H]2Br)C1	856870427	QHWYDHSHFBFMDJ-LOWVWBTDSA-N	318.259	1.943	50	20	DDGD	
Cc1nnc2ccc(C(=O)NC[C@]3(C)C[C@@H]3Br)cn12	857393459	GQGFYQZBYZXOPK-GWCFXTLKSA-N	323.194	1.941	50	20	DDGD	
C[C@]1(CNC(=O)NCCn2ccnc2)C[C@@H]1Br	856717127	AHBHEOZIBLZILJ-GXSJLCMTSA-N	301.188	1.356	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCC[C@H]2CCOC2)c1	858523763	UILLGWBPNUUJLA-NSHDSACASA-N	311.407	1.817	50	20	DDGD	
COCC1CCC(NC(=O)NNc2ncc(Cl)cn2)CC1	856916856	IYBBLGQZMJRIPM-UHFFFAOYSA-N	313.789	1.961	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNC(=O)NCCc1cccs1	858781438	JRNBRXJBCWEDDV-GFCCVEGCSA-N	313.423	1.826	50	20	DDGD	
COc1cccc(NNC(=O)c2cnc3n2CCCCC3)n1	857174300	HBLSFTPDADAQKR-UHFFFAOYSA-N	301.350	1.770	50	20	DDGD	
COc1cc(CNC(=O)NNC(=O)c2ccc(C)o2)ccc1O	752867471	KUBIBKMTKWTFBR-UHFFFAOYSA-N	319.317	1.446	50	20	DDGD	
CO[C@H](Cc1ccccc1)C(=O)NNC(=S)NCC1CCC1	855087925	TZDPVBYCTZKIGU-CQSZACIVSA-N	321.446	1.540	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@]1(C)CCOC1	757683544	RNVDSPZRJGNWHP-INIZCTEOSA-N	306.362	1.202	50	20	DDGD	
CC(F)(F)CC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	757939514	SFUKOBNLIZGAMN-UHFFFAOYSA-N	308.288	1.679	50	20	DDGD	
CCOC(=O)NC1CCC(=NNC(=O)c2cc(C)[nH]n2)CC1	853320698	GXTUOVMSVXFLII-UHFFFAOYSA-N	307.354	1.493	50	20	DDGD	
Cn1nncc1/C=C(/C#N)S(=O)(=O)c1ccc(Cl)cc1	751033512	QSIWUUNUHMEWBD-SDQBBNPISA-N	308.750	1.807	50	20	DDGD	
CCCn1cc(C(=O)NC[C@@]2(C)C[C@@H]2Br)nn1	857395911	VSTGSYDHVIGZFY-GXSJLCMTSA-N	301.188	1.591	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1cnc2c(c1)COCC2	757939658	UUBWGKFSDLIGMQ-UHFFFAOYSA-N	304.350	1.497	50	20	DDGD	
O=C1NCC[C@@]1(C(=O)NNc1cccc(F)n1)C1CCCC1	861686699	ROVMCPYUQOGYDN-OAHLLOKOSA-N	306.341	1.360	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2cc(C)c(F)c(C)c2)n[nH]1	869014427	HIYOGXQDOPDPPF-UHFFFAOYSA-N	304.325	1.478	50	20	DDGD	
COCC(=O)NNC(=O)N[C@@](C)(c1ccccc1)C(F)(F)F	933410634	PKVIAQCTILXGLX-LBPRGKRZSA-N	319.283	1.441	50	20	DDGD	
CC(C)C(=O)Nc1cc(C(=O)NN[C@H](C)C(F)(F)F)ccn1	862320475	JRFNIFPGZDOLSY-MRVPVSSYSA-N	318.299	1.861	50	20	DDGD	
Cc1cc(C)n(CCCC(=O)NNC(=O)Cc2cccnc2)n1	931968812	VKUPCWXQCWLZOV-UHFFFAOYSA-N	315.377	1.065	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)C1CC(O)(c2cccc(Cl)c2)C1	860676300	RDAPFHMJGDRRDQ-UHFFFAOYSA-N	317.776	1.898	50	20	DDGD	
COC(=O)Cc1cccc(C(=O)NN[C@H](C)C(F)(F)F)c1	862318472	PVBWERNGYPTBSP-MRVPVSSYSA-N	304.268	1.587	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cccc2c1CN(C)C2=O	931730032	FYNYQSXGYUWLCM-UHFFFAOYSA-N	314.345	1.228	50	20	DDGD	
O=C1N[C@H](C(=O)NNc2ccc(Cl)cc2Cl)CCO1	860313607	JWSYVIWSSIEWLT-VIFPVBQESA-N	304.133	1.935	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)c1cc(C(=O)OC)nn1C	868057787	ICTLIYXHDQKQOO-UHFFFAOYSA-N	316.361	1.834	50	20	DDGD	
C/C(=C/C1CCC(C)CC1)C(=O)NNC(=O)C(=O)N1CCCC1	865070800	KQXVMOILHSLTGI-QBFSEMIESA-N	321.421	1.529	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(C)[C@@H]2CCSC2)c1	764105847	OCMAFLJKZZCOKO-CYBMUJFWSA-N	307.419	1.193	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2c(F)ccc(F)c2Cl)N1	863151874	WZLWIMQMMRLUQO-SECBINFHSA-N	301.680	1.347	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@](C)(O)CCc1ccccc1	1116926412	LIAOYJMSDCZAKL-OAHLLOKOSA-N	309.435	1.274	50	20	DDGD	
C[C@@H](CC(F)(F)F)NC(=O)NNC(=O)c1ccc(C#N)cc1	766608195	YQEZVADJRUZDIH-QMMMGPOBSA-N	314.267	1.843	50	20	DDGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)CC[C@@H]2C1	766272165	PYYPOJDWTJZZLE-IJENKCAZSA-N	312.329	1.766	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(Cl)ccc1F)[C@H](C)S(C)(=O)=O	871271507	QFRLLKASUGNBFW-SFYZADRCSA-N	322.789	1.991	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=Cc2cncs2)c1	767774694	KEJHXQPWAHDTLF-UHFFFAOYSA-N	309.372	1.311	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)Cn2cc(C3CC3)nn2)n1	1118012140	XHRYKOGAWJAVGQ-UHFFFAOYSA-N	307.745	1.051	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1cccc2c1OCCCO2	770077185	GCADRZSHKHLUED-UHFFFAOYSA-N	307.350	1.334	50	20	DDGD	
C[C@@H](C1CC1)n1cc(NC(=O)C(=O)NNc2ccccc2)cn1	778693479	OAAWUFXVHPMZOK-NSHDSACASA-N	313.361	1.936	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)ccc1O)Nc1ccncn1	770763055	LEQQPWLXYAHBRM-UHFFFAOYSA-N	307.697	1.302	50	20	DDGD	
CNC(=O)c1ccc(C(=O)OC[C@@H](C)CBr)cn1	770365146	LQJKEGQEHDKGKT-QMMMGPOBSA-N	315.167	1.629	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)C(OC)OC)cc1	873770897	CBNXCPPXXZNVGR-UHFFFAOYSA-N	313.379	1.022	50	20	DDGD	
COC(=O)C(=O)NN=C/C=C1/N(C)c2ccccc2C1(C)C	1116191428	IOEYKRIEIZCNIB-OIVHWOPJSA-N	301.346	1.573	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc2cnn(CCOC)c2c1	878494212	AZEAWTVLCJPOKR-UHFFFAOYSA-N	321.381	1.297	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@H]1CCCN1C	873770023	WWQCOWACJHIBNS-LLVKDONJSA-N	308.407	1.107	50	20	DDGD	
CSCCCCC(=O)NNc1nc(O)c2cnn(C)c2n1	770980102	MXWNILPSXOCMEF-UHFFFAOYSA-N	310.383	1.045	50	20	DDGD	
COc1ccc(CCC=NNC(=O)N2CCOCC2)c(C)c1	777434616	YPHUROZELIYXAR-UHFFFAOYSA-N	305.378	1.964	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21)c1cccnn1	882058410	GPEZITPBDGHIPJ-JHJVBQTASA-N	302.378	1.844	50	20	DDGD	
COc1ccc(NNC(=O)Nc2nc(SC)ns2)nc1	782049057	BEQKSFNDFIIANA-UHFFFAOYSA-N	312.380	1.812	50	20	DDGD	
Cc1nscc1C(=O)NNC(=O)Cn1cnc2ccccc21	781235903	KGWSSRKNAWQIHI-UHFFFAOYSA-N	315.358	1.262	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc(OC(F)F)cc1	883058791	BTTCWLILJHRNEW-UHFFFAOYSA-N	314.288	1.476	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2=CCCCC2)cc1OC	782200421	QWNBCHTZURPHNN-UHFFFAOYSA-N	304.346	1.965	50	20	DDGD	
COc1cccc(NNC(=O)c2c3c(nn2C)CCCC3)n1	780771961	LPYUVCMOJMQDGP-UHFFFAOYSA-N	301.350	1.459	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=C[C@@H]2CCSC2)C[C@@H](C)O1	782170247	FNZVZQFOSHUCOO-FQUUOJAGSA-N	313.467	1.587	50	20	DDGD	
COc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)C2CCOCC2)cc1	883071826	OKVFSXVBUSXEPE-LSDHHAIUSA-N	318.373	1.373	50	20	DDGD	
CC1(N2CCCC2)CCC(=NNC(=O)[C@H]2COCCO2)CC1	884434020	YBYISISTZHXQLO-IURRXHLWSA-N	309.410	1.303	50	20	DDGD	
Cc1nc(CNS(=O)(=O)CCCCCl)ccc1[C@@H](C)O	780832468	QCBVJZQUWPAWKC-LLVKDONJSA-N	320.842	1.882	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2ccc(O)cc2C)n1	1123731458	GARLUALSPNPSSH-UHFFFAOYSA-N	302.334	1.493	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)Cn1cc([C@H](C)O)nn1	885124612	AMDCZDKMJWWQLK-VIFPVBQESA-N	309.757	1.437	50	20	DDGD	
CN1CCCC[C@@H](CNC(=O)NNc2nc3ccccn3n2)C1	897553890	DXVBFRWXWOEIQP-LBPRGKRZSA-N	317.397	1.087	50	20	DDGD	
Cc1cc(F)cc(-n2cc(C(=O)NNC(=O)C(C)C)nn2)c1	788721300	RDRGCEKEWRCBME-UHFFFAOYSA-N	305.313	1.132	50	20	DDGD	
CCSCCC=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1	781121798	MMEPMOMMSBALDX-MGPQQGTHSA-N	315.483	1.977	50	20	DDGD	
C[C@H](OC(=O)CCCC[C@@H]1CCSS1)C(=O)NC(N)=O	786590004	JXUAOMDZUWZRDD-DTWKUNHWSA-N	320.436	1.827	50	20	DDGD	
Cc1cc(C=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)sn1	785451847	YEZVBJBHJMKXSA-UHFFFAOYSA-N	305.319	1.706	50	20	DDGD	
Cc1cccnc1NNC(=O)CCNC(=O)c1cccs1	791224067	ODLGOTRCWQWOCL-UHFFFAOYSA-N	304.375	1.715	50	20	DDGD	
Cn1cccc1C(=O)NN=Cc1cn(CC(=O)O)c2ccccc12	799873168	AWUHNBYBLKQWPS-UHFFFAOYSA-N	324.340	1.828	50	20	DDGD	
CC[C@@H](C)CC[C@H](O)CC(=O)NNC(=O)c1ccc(C#N)cc1	793289813	OZSVVBGAYGCBNV-DOMZBBRYSA-N	317.389	1.897	50	20	DDGD	
CC(C)(C)OCCCC(=O)NNC(=O)c1ccc(C#N)cc1	795842431	IYEIQQMMVOQFNJ-UHFFFAOYSA-N	303.362	1.915	50	20	DDGD	
CO[C@]1(C)CCCN(CC(=O)NNC(=O)c2cccs2)C1	791557825	OCJUQSFPLJJILQ-CQSZACIVSA-N	311.407	1.010	50	20	DDGD	
CS(=O)(=O)C1(CNC(=O)NNc2ccc(F)cc2)CC1	793267287	UHAXRKPEUJBRRI-UHFFFAOYSA-N	301.343	1.029	50	20	DDGD	
O=C(COc1ccc(Cl)c(Cl)c1)N1CC[C@@H](B(O)O)C1	585069730	RLVCTDUOKKKQTN-MRVPVSSYSA-N	317.965	1.448	50	20	DDGD	
O=C(Cc1ccccc1Br)N1CC[C@H](B(O)O)C1	585068636	FPTWJDVCKQUYAO-JTQLQIEISA-N	311.972	1.067	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)c1cc([N+](=O)[O-])n[nH]1	796986416	VJKBVERWQRPOKA-UHFFFAOYSA-N	315.245	1.139	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)Nc1ccc2c(c1)OCO2	790596869	OIOXHRIMWRKTDN-UHFFFAOYSA-N	312.289	1.607	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C2(Sc3ccccc3)CC2)cn1	1319639402	RAUXAUQGHRIYGD-UHFFFAOYSA-N	316.386	1.506	50	20	DDGD	
CC[C@H](Oc1ccccc1F)C(=O)NNC(=S)NC(C)C	1319067463	ZNRCDYYPATYZOP-NSHDSACASA-N	313.398	1.887	50	20	DDGD	
C[C@@H](C(=O)NN=c1sc2ccccc2n1C)n1ccnc1	1318007854	OJQDUXUEISIVGO-JTQLQIEISA-N	301.375	1.629	50	20	DDGD	
Cn1ncc(C=NNC(=O)c2ccc(Br)cc2)n1	1324191859	RDCMKYRCXYVPFU-UHFFFAOYSA-N	308.139	1.342	50	20	DDGD	
COCc1nc(C(=O)NNc2nncc(N)c2Cl)cs1	1324048458	JBVMVZJOYMNMGL-UHFFFAOYSA-N	314.758	1.072	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2CCC[C@@H]3C[C@H]23)cc1	1325499103	SOMNHHAURVWANH-XBFCOCLRSA-N	303.362	1.828	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H](C)n2ccnc2)cc1C	1322036347	SVGCOBJVIDSSBL-ZDUSSCGKSA-N	316.361	1.287	50	20	DDGD	
CCc1cc(OCC(=O)NN(C)[C@H](C)CO)ccc1Cl	1336011413	RXTGCGLKQJYXQH-SNVBAGLBSA-N	300.786	1.625	50	20	DDGD	
O=C(c1cccc(CCl)c1)N1CCC[C@H](c2nn[nH]n2)C1	1358074412	OBCHGSMSLHWRNG-LBPRGKRZSA-N	305.769	1.958	50	20	DDGD	
O=C(NNc1ccccn1)Nc1cc(C(=O)O)cnc1Cl	1601561728	XFPAFEHFNGODGL-UHFFFAOYSA-N	307.697	1.977	50	20	DDGD	
C/C=C/COC(=O)/C(C#N)=C/c1cc(-c2nn[nH]n2)n(C)c1C	1603965180	URSLIHNIQJSXLJ-RKEQOFPCSA-N	312.333	1.540	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@@H](CCC(C)(C)C)C(=O)O)cn1	1605491211	RAJPVIJVMQKQPL-OTAKNEKHSA-N	318.377	1.723	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1ccc(F)cc1C(F)(F)F	1608754487	ITQLMNGJFJIXBK-UHFFFAOYSA-N	307.203	1.562	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)O	1603613391	ZOKTUKFJHYUKRY-YUMQZZPRSA-N	301.767	1.078	50	20	DDGD	
O=C(NCCCOCC1CC1)NNc1cccc(C(=O)O)c1	1601499913	HPIDERMAPCJDOX-UHFFFAOYSA-N	307.350	1.828	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)Nc1cc(C(=O)O)ccn1	1601560738	WMBUEROVDDZLQM-UHFFFAOYSA-N	307.697	1.977	50	20	DDGD	
Cc1cc(Br)ccc1C=NNC(=O)NCC(=O)O	1600071415	LNAJNALCTXWDRK-UHFFFAOYSA-N	314.139	1.475	50	20	DDGD	
COC1(C=NNC(=O)[C@@H]2CCCO[C@@H]2c2nccn2C)CCC1	1549309349	HWUGFJUDAVSBPC-OLZOCXBDSA-N	320.393	1.559	50	20	DDGD	
CCc1ccc(C(C)=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)cc1	1549315357	MVFNTBSSQHUYNR-IAGOWNOFSA-N	315.417	1.952	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@@H]1C(=O)NCC(Cl)Cl	1553146433	ROQGAUSEHXBNPS-KWQFWETISA-N	306.193	1.808	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)NC2CC2)cc1	5127952	SVGBNVGDYMWNFP-GJSJWPQCSA-N	314.341	1.812	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1cccc(Br)n1)[C@H](C)N	1575408003	JIOOSSOLRFESQY-GZMMTYOYSA-N	315.215	1.907	50	20	DDGD	
COCCN(CC(C)C)NC(=O)C1(N)Cc2ccccc2C1	1579026403	QUVYBHHBVIUUMN-UHFFFAOYSA-N	305.422	1.118	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2C[C@H]3CC[C@H]2NC3)c1	1579768448	YNUAXVLIXOYFHG-KWCYVHTRSA-N	318.446	1.701	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CC12CCNCC2	1580739739	MKLDGRRVLDUPER-GFCCVEGCSA-N	323.328	1.502	50	20	DDGD	
N#Cc1c[nH]c(C(=O)N2CCCC23CN(C(=O)[C@H](F)Cl)C3)c1	1844795585	BWPFDTDRUWHFQW-NSHDSACASA-N	324.743	1.238	50	20	DDGD	
Cc1ocnc1C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843365004	RHKYJUQUIQSZFO-JTQLQIEISA-N	315.732	1.334	50	20	DDGD	
O=C(CCCc1cccnc1)NNc1ncccc1C(=O)O	1594685429	MGBQUPVWKUWWRY-UHFFFAOYSA-N	300.318	1.641	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccc(C(=O)O)nc2)c1	1593897359	MODHIAYAWQSDGP-UHFFFAOYSA-N	315.285	1.323	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(C(=O)O)cn2)cc1C	1599484093	PULCCBNCFVTAEY-UHFFFAOYSA-N	301.302	1.854	50	20	DDGD	
C[C@@H](CC(=O)O)C(=O)OCCCI	1592365609	XSEWWZVSTGGYLL-LURJTMIESA-N	300.092	1.466	50	20	DDGD	
Cc1nc2cc(C(=O)NNc3ncccc3C(=O)O)ccc2o1	1594463613	YXBGJVJCVFSUJB-UHFFFAOYSA-N	312.285	1.986	50	20	DDGD	
O=C(NN=Cc1sc(Cl)cc1C(=O)O)c1ncccn1	1776081523	SMAFNPXMGSKZQB-UHFFFAOYSA-N	310.722	1.654	50	20	DDGD	
CC(=NNC(=O)c1ccc(Cl)nc1)c1cncc(C(=O)O)c1	1776035868	MJPJVZWIZVRSLS-UHFFFAOYSA-N	318.720	1.982	50	20	DDGD	
C[C@H](Oc1ccc(C=NNC(=O)c2cn[nH]c2)cc1)C(=O)O	1776093734	HSMPJMKGLDCKIK-VIFPVBQESA-N	302.290	1.026	50	20	DDGD	
O=C1Nc2ccccc2C1=NNC(=O)c1ccc(C(=O)O)cc1	1776099145	ROYMWCNYKRSBRT-UHFFFAOYSA-N	309.281	1.471	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1cc(C)ncn1	160815219	XKBDPSQRQNPZRF-UHFFFAOYSA-N	314.345	1.187	50	20	DDGD	
Cc1ccccc1[C@@H](C)NC(=O)NNC(=O)C(=O)N1CCCC1	155008956	MQBZJDRKFXEBMY-GFCCVEGCSA-N	318.377	1.009	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2ccc(C)cn2)c1	156203072	OUEBIVBCXDFAIE-UHFFFAOYSA-N	314.345	1.272	50	20	DDGD	
CCCC(CCC)C(=O)NNc1nccc(N2CCOCC2)n1	157294482	JIUZMJXWWZUBBA-UHFFFAOYSA-N	321.425	1.973	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CCc2cn(C)nc2C)c1	155923819	KHSRJYFXXPDGSK-UHFFFAOYSA-N	306.341	1.952	50	20	DDGD	
CC(C)n1cnnc1SCC(=O)NNc1ccc(C#N)cc1	155477368	DIKKXAGQZUVYFH-UHFFFAOYSA-N	316.390	1.966	50	20	DDGD	
C[C@@H](CN(C)NC(=O)OCc1ccccc1)S(C)(=O)=O	859386558	UKIHVYOHMPINNP-NSHDSACASA-N	300.380	1.193	50	20	DDGD	
COc1ccccc1C(=O)NNc1nc(-c2ccncc2)no1	102159167	ZQMQUKJDTAAWDA-UHFFFAOYSA-N	311.301	1.897	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Cc2cccc(F)c2)n1	8292436	KEVJVADEHGVNBG-UHFFFAOYSA-N	304.325	1.029	50	20	DDGD	
C[C@@H](CN1CCCC1=O)NC(=O)NNc1cccc([N+](=O)[O-])c1	57016858	RGMHVTIJLIGTMG-JTQLQIEISA-N	321.337	1.232	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2cccnc2)ccc1[N+](=O)[O-]	103424783	CHPGFBYJQWCTCV-UHFFFAOYSA-N	314.301	1.302	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)C(=O)NC)c1C	55958058	LEDRTSUFNHHXFL-KMHUVPDISA-N	316.405	1.673	50	20	DDGD	
O=C(CSc1ccccc1Cl)NNC(=O)Cc1cc[nH]n1	106417380	DDMMPGRMSCNPBF-UHFFFAOYSA-N	324.793	1.545	50	20	DDGD	
Cc1noc(C)c1CCNC(=O)NNC(=O)c1ccccc1O	107395069	YVECLMCBDRCVBM-UHFFFAOYSA-N	318.333	1.184	50	20	DDGD	
CCc1nc(CC(=O)NNC(=S)N[C@@H](C)C2CC2)cs1	175546335	RDRMSXHGYYMTNI-QMMMGPOBSA-N	312.464	1.542	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC[C@@H]1C(=O)NCc1ccco1	178959194	XJUZYMOICLKAQD-GCZGRYASSA-N	317.345	1.331	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNC(=O)c1c(C)nc2ccccn12	68519160	XRFFJRDQMBLJRI-GFCCVEGCSA-N	318.377	1.609	50	20	DDGD	
COc1ccnc(C(=O)NNc2nc(-c3ccncc3)no2)c1	116186561	MBTZBFSCBGOZEQ-UHFFFAOYSA-N	312.289	1.292	50	20	DDGD	
COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C1CCC(Cl)CC1	1347220231	FSJLMDFBWWIUJC-QQFIATSDSA-N	303.786	1.309	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)COc1ccccc1F)C1CC1	171168251	NPDYMUONVXJHEE-SECBINFHSA-N	311.382	1.498	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)NCc2ccco2)c(C)c1	64939880	FRKJBDXXJILLEU-UHFFFAOYSA-N	323.374	1.589	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1c[nH]nc1-c1ccc(Cl)cc1	171479338	KPRRSNCKWCXNGT-UHFFFAOYSA-N	307.741	1.646	50	20	DDGD	
C#CCCCCC(=O)NNC(=O)c1ccc2c(c1)OCCO2	179671385	HTHYTBUIHLDVRO-UHFFFAOYSA-N	302.330	1.412	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CCc2ccco2)n1	177666403	CLYJCBVXQKICEU-UHFFFAOYSA-N	303.366	1.992	50	20	DDGD	
CCn1c(NNC(=O)[C@H]2CCCOC2)nc2ccccc2c1=O	171027807	UKGUPKXXBPZANI-NSHDSACASA-N	316.361	1.286	50	20	DDGD	
O=C(COC[C@@H]1CCCO1)NNc1ccc(C(F)(F)F)nn1	124376549	HTEMFHBTUKTBJB-QMMMGPOBSA-N	320.271	1.134	50	20	DDGD	
O=C(NCCN1C(=O)Cc2ccccc21)NNc1ccccn1	171230028	QITMRFWPVRFYTF-UHFFFAOYSA-N	311.345	1.297	50	20	DDGD	
C=CCNc1ncc(C(=O)NNC(=O)c2cccn2C)s1	124944966	NSKZTERODUDLMA-UHFFFAOYSA-N	305.363	1.154	50	20	DDGD	
CCCc1nnc(S[C@@H](C)C(=O)NNC(=O)CC(C)C)o1	122132796	DQEMPJKZIRTWKC-VIFPVBQESA-N	314.411	1.696	50	20	DDGD	
CC[C@H]1C[C@H](C(=O)NNC(=O)COc2ccc(C)cc2)CCO1	183392612	WUGRYRXARXRMIV-KGLIPLIRSA-N	320.389	1.726	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)c2ccc[nH]2)cc1Cl	125127203	LHGQPEGJHSDEMV-UHFFFAOYSA-N	322.752	1.821	50	20	DDGD	
COc1ccc(NNC(=O)Cc2cc(F)ccc2OC)nc1	187483910	GWXMKHGQGSJOER-UHFFFAOYSA-N	305.309	1.924	50	20	DDGD	
C[C@@H](CC1CCCC1)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	74414714	JTPMDVMHKQDKCR-GXTWGEPZSA-N	316.467	1.695	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNc2cccnn2)cc1OC	183211420	ZYBRTCQDKLIHQS-LLVKDONJSA-N	316.361	1.816	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(F)nc1	74398376	HFVBCVRSGJZPHP-SECBINFHSA-N	321.283	1.588	50	20	DDGD	
CC(C)c1cccc(OCC(=O)NNC(=O)c2cccn2C)c1	73792601	UXJOPCNWZWVIFI-UHFFFAOYSA-N	315.373	1.989	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)Nc1cccc(F)n1	134279531	DCPQFVQAPRKMJB-UHFFFAOYSA-N	306.272	1.755	50	20	DDGD	
O=C(Cc1ccccc1)NCC(=O)NNc1ccc(F)cc1	42065187	WZXPDLLXHNCDTJ-UHFFFAOYSA-N	301.321	1.628	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNc1nc2ccccc2c(=O)[nH]1	137226967	FRDUDSVYWLBLRG-UHFFFAOYSA-N	313.317	1.214	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)s1	195202231	JABASRJWHZVQIX-UHFFFAOYSA-N	323.761	1.575	50	20	DDGD	
Cc1ccn(CC(=O)NNC(=O)c2c[nH]c3ccccc23)c(=O)c1	194368954	SHMGNJLKWUMPBA-UHFFFAOYSA-N	324.340	1.099	50	20	DDGD	
O=C(NCCCN1CCCCC1)NNc1nc2ccccn2n1	190574846	UUHSXAIYWQHKDP-UHFFFAOYSA-N	317.397	1.231	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccncc1F	130692714	LDMIIRILUZQDTE-SECBINFHSA-N	321.283	1.588	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCc2c(C)nn(C)c2C)o1	84292134	LGJJWNTZHHGYGG-UHFFFAOYSA-N	304.350	1.332	50	20	DDGD	
O=C(CSc1ccc(F)c(F)c1)NNC(=O)c1ccncc1	194825015	JWCVMWITDPGYGS-UHFFFAOYSA-N	323.324	1.913	50	20	DDGD	
Cc1csc(-c2cccc(C(=O)NNC(=O)C(C)(C)O)c2)n1	190052189	JFFYFICATAPYOB-UHFFFAOYSA-N	319.386	1.650	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cccc(C(F)(F)F)c1	194903329	HMBRGUDQESVTHI-UHFFFAOYSA-N	317.267	1.392	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNc2nc3ccccn3n2)ccc1C	191897462	YSHGNUQCJHDRHR-UHFFFAOYSA-N	324.344	1.753	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc(-n2ccnn2)cc1	89639365	IYHIBLVYPWWBJC-UHFFFAOYSA-N	303.322	1.437	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1cnn(-c2ccccc2)n1	195220189	MRGCILQDTXBYSC-UHFFFAOYSA-N	313.361	1.609	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)c2csc(N)n2)cc1OC	254870841	HFBMOFDKQWFHFS-UHFFFAOYSA-N	320.374	1.897	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)c3cn(C)cn3)cc2C1	269156773	VKHQHKBKTRGDLB-SECBINFHSA-N	318.402	1.681	50	20	DDGD	
CC1(CNC(=O)NNC(=O)Cc2ccccc2F)CCOCC1	267819843	GNEPMSIEUPLNPN-UHFFFAOYSA-N	323.368	1.515	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)CCC[C@]2(C)NC(=O)NC2=O)c1	269598072	WNUZSZSGMPSJRT-INIZCTEOSA-N	318.377	1.515	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)COc1ccccc1OC	269731280	YBVZHWGZANGIOH-NSHDSACASA-N	310.350	1.037	50	20	DDGD	
C[C@H](CC(=O)NNc1nccn(C)c1=O)c1ccc(F)cc1	267269432	ZAOTYFPGNGLFTO-SNVBAGLBSA-N	304.325	1.556	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)Cc2ccncc2)CCOCC1	266995745	BNIKKFCGJFZKMS-UHFFFAOYSA-N	320.393	1.161	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc2nc(O)ccc2c1)C1CCC1	267542736	YOGXTXVJIHNXIV-UHFFFAOYSA-N	321.358	1.050	50	20	DDGD	
COc1ccc(C(C)=O)cc1CC(=O)NNC(=O)C1CCC1	264745730	KIADBBOYMSAKTH-UHFFFAOYSA-N	304.346	1.388	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NNc2ccc3ccccc3n2)C1	278467927	SXBOPZNUBYMQDC-GFCCVEGCSA-N	312.373	1.936	50	20	DDGD	
C[C@H]1Cc2cc(S(=O)(=O)N3CC=C(C#N)CC3)ccc2O1	273535169	CWCUWBBNSVHGKT-NSHDSACASA-N	304.371	1.854	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(CSC)cc1	274095534	VKZIYFVWOLCQJP-JTQLQIEISA-N	323.418	1.682	50	20	DDGD	
CCC(C)(C)N[C@H](C)C(=O)NNC(=O)Cc1ccccc1F	274800922	QJUWVRSAEXQXAY-LLVKDONJSA-N	309.385	1.682	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCC(=O)NC(C)C)c1	272542077	CQYTUOJSLMYGRR-UHFFFAOYSA-N	322.365	1.014	50	20	DDGD	
COC(C)(C)CC(=O)NNC(=O)CSc1ccccc1O	279791177	HRGFQXXHRWMNKW-UHFFFAOYSA-N	312.391	1.447	50	20	DDGD	
O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NNC(=O)C1CC1	270190919	CAYIAWSFOXDTLT-UHFFFAOYSA-N	302.290	1.176	50	20	DDGD	
Cc1nnc2ccc(C(=O)NNc3nnc(C4CC4)s3)cn12	273560259	FEJIMSUJYFJOOM-UHFFFAOYSA-N	315.362	1.524	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2[nH]ncc2C1)NC1CCCCC1	270099847	BSGBFRKSFZFMQP-SNVBAGLBSA-N	305.382	1.178	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O	276780805	VCRFOMFITKQBQH-IUCAKERBSA-N	316.283	1.290	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)NCC(F)(F)F)nc1C	272165246	OOYKBRIUCQRTDY-UHFFFAOYSA-N	321.259	1.150	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)Nc1cnn(C[C@@H]2CCCO2)c1	373302451	NGWSGMSOEYLCGM-ZDUSSCGKSA-N	302.338	1.028	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cccnc1Cl	285442980	YWXNEWSIVXYILA-UHFFFAOYSA-N	305.812	1.801	50	20	DDGD	
CC1(C)CC[C@H]1NC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	287925151	DDWLBECQVZZLRD-LLVKDONJSA-N	322.321	1.433	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)COc1ccccc1O)C(F)(F)F	288273820	DONFTJUPRPGFCQ-SSDOTTSWSA-N	321.255	1.052	50	20	DDGD	
CCN(CC)CCNC(=O)NNc1ccc2c(O)nccc2c1	287283341	MCLKZDQRJAEHTL-UHFFFAOYSA-N	317.393	1.908	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)Nc1cccc2c1CNC2=O	287516424	FUSXCFDJHAWDTE-UHFFFAOYSA-N	316.361	1.663	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1c[nH]nc1-c1c(F)cccc1F	294109249	JPXXYPJDHFUIEE-UHFFFAOYSA-N	320.299	1.916	50	20	DDGD	
CCN(CC(=O)NNC(=O)C(C)C)Cc1ccccc1Cl	806340997	XEGLRCOFWZQFDV-UHFFFAOYSA-N	311.813	1.965	50	20	DDGD	
COc1ccc(OC)c(CC(=O)NNc2cccc(F)n2)c1	804771794	OGGJFHZGXXDPQH-UHFFFAOYSA-N	305.309	1.924	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)Cc2cnn(C)c2C)n1	294930911	LKNYEELVQMHDJV-UHFFFAOYSA-N	317.397	1.051	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)cc1C1CC1	295293848	DNUDJHUTGFVMTC-OAHLLOKOSA-N	318.373	1.903	50	20	DDGD	
CCC[C@@H](C(=O)NNC(=O)c1cc(C)[nH]n1)c1ccccn1	807084219	IQABGSVLOWBADL-LLVKDONJSA-N	301.350	1.458	50	20	DDGD	
CC[C@@H](Cc1ccccc1)C(=O)NNC(=O)N=c1cc[nH]cc1	802025501	JQJFNCWOCFSFMX-AWEZNQCLSA-N	312.373	1.925	50	20	DDGD	
N#Cc1cc(O)cc(C(=O)NNC(=O)CCc2ccccc2)c1	809646575	CUPPNLGDKLCGEE-UHFFFAOYSA-N	309.325	1.658	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)COC2CCCC2)cc1	298723388	LSRAQGKXFXAVIE-UHFFFAOYSA-N	321.377	1.214	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cccc3c2CCCC3)O1	295569072	KOGSSPFKFWVJSC-NHYWBVRUSA-N	302.374	1.894	50	20	DDGD	
Cn1ncc2c1CCC[C@H]2NC(=O)NNc1cncc(Cl)n1	298686407	NDFUHKRYFWWAKN-SECBINFHSA-N	321.772	1.567	50	20	DDGD	
O=C(COCc1cccnc1)NNc1ncccc1[N+](=O)[O-]	807061501	QHTFAKJDQFTJGM-UHFFFAOYSA-N	303.278	1.045	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)Cc1ccc(Cl)cc1)n1cccn1	819013694	YBUSJRSDEWCGAA-NSHDSACASA-N	320.780	1.878	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@@H]2CCN(C)C[C@@H]2C1	812324123	MJRCEJDCXIDZBR-UONOGXRCSA-N	324.856	1.762	50	20	DDGD	
COC(=O)[C@H]1C[C@H]2CC(=NNC(=O)Cc3nc(C)cs3)[C@H]1C2	817323465	ZGCOEMOTYFIZRC-DCAQKATOSA-N	321.402	1.685	50	20	DDGD	
C[C@@H](CC(=O)NNc1ncncc1F)NC(=O)c1ccccc1	817071652	YGZXIYWSZOVDDC-JTQLQIEISA-N	317.324	1.267	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)Cc1cnn(C)c1C	815952696	SGKQAAZVBVJQKU-UHFFFAOYSA-N	302.334	1.201	50	20	DDGD	
CC(=NNC(=O)c1cccc(Br)c1)c1cnnn1C	814857600	OVLPYCKFUIVSTB-UHFFFAOYSA-N	322.166	1.732	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(O)c(CC)c1	811306511	VKYMCRGUJIPVCN-SECBINFHSA-N	308.334	1.057	50	20	DDGD	
CN(NC(=O)c1cnn(CCO)c1-c1ccccc1)C1CC1	819651780	VIUVFVLOCMCJGH-UHFFFAOYSA-N	300.362	1.281	50	20	DDGD	
CCC(CC)(CNC(=O)NNc1ncncc1Cl)OC	814415104	FUFLGPUZQRFXDE-UHFFFAOYSA-N	301.778	1.961	50	20	DDGD	
CN(NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)C1CC1	819645592	PCEHIMPPYQQUDA-UHFFFAOYSA-N	323.418	1.114	50	20	DDGD	
CNC(=O)NN=C1COc2cc(Br)c(F)cc21	814814739	YGPGRYRXDVEBDM-UHFFFAOYSA-N	302.103	1.614	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C[C@@H](C)n2cccn2)ccc1F	819558613	ANEFOOUVVQLTBK-SNVBAGLBSA-N	320.324	1.903	50	20	DDGD	
CC(C)[C@H]1CC(=NNC(=O)C(=O)Nc2ccccn2)CS1	814869277	HESPVWDTWSKUOF-LLVKDONJSA-N	306.391	1.654	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H]1CCN1C1CCCC1	821721264	ZRKDNOAPINQLAC-HNNXBMFYSA-N	317.389	1.933	50	20	DDGD	
CCCc1c(C(=O)NN(CC)CCO)cnn1-c1ccccc1	823874623	VTWAPOLUROPYPK-UHFFFAOYSA-N	316.405	1.784	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C)c1ncc(C(=O)OC)s1	491163126	VNCOJPWEYPPICP-KGOFQHAKSA-N	309.347	1.551	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccn(-c2ccccc2Cl)n1	823965634	QVCIRTCDXNLDIM-JTQLQIEISA-N	308.769	1.483	50	20	DDGD	
C[C@@H](C=NNC(=O)Cc1cccnc1)CNC(=O)OC(C)(C)C	496790459	KHTVTANWIGBIHU-GFCCVEGCSA-N	320.393	1.887	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1cn2ccccc2n1	726369754	GGZRHNSKZNGTMM-UHFFFAOYSA-N	321.300	1.536	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1	496200482	NNOBOPNFZMOLAS-UHFFFAOYSA-N	320.271	1.947	50	20	DDGD	
CCN(CCO)NC(=O)c1cccc(OC[C@@H]2CCCO2)c1	823841046	BFKRYHNYZQLIST-HNNXBMFYSA-N	308.378	1.203	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NOCC2CCC2)cc1F	824110707	ADZLVAKVWJVNJX-UHFFFAOYSA-N	311.313	1.970	50	20	DDGD	
CN(C)c1nccc(NNC(=O)C[C@]2(C)CC2(Cl)Cl)n1	825988050	RHXPAYPNDHSYSO-LLVKDONJSA-N	318.208	1.960	50	20	DDGD	
Cc1cncc(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)c1	495352727	NXMXLJCTQVCMMS-UHFFFAOYSA-N	322.365	1.066	50	20	DDGD	
Cn1ccc(CCC(=O)NNc2nc(C(F)(F)F)cs2)n1	826799320	CIBLZWGTOUEHAT-UHFFFAOYSA-N	319.312	1.971	50	20	DDGD	
OB(O)c1cccc(CN[C@H]2CCc3cc(F)c(F)c(F)c32)c1	585044251	CNTQUYSIYHFZCA-ZDUSSCGKSA-N	321.107	1.561	50	20	DDGD	
CCC[C@H]1C[C@@H](c2nc(-c3ccc(B(O)O)cc3)no2)CCO1	585050577	DDWGKAGXAMHDIB-JSGCOSHPSA-N	316.166	1.479	50	20	DDGD	
O=C(CCc1cscn1)NNC(=O)COc1ccc(F)cc1	726766956	AOLSGNKNJAEVFX-UHFFFAOYSA-N	323.349	1.441	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)CCC2(C)CC2)cn1	829002979	FHELCCNVJSDHIA-UHFFFAOYSA-N	308.407	1.988	50	20	DDGD	
CCC1(CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1	820962263	LUTIACCFIXTNOJ-UHFFFAOYSA-N	301.354	1.683	50	20	DDGD	
Cc1noc2nc(C(C)C)cc(C(=O)NN(C)C[C@H](C)O)c12	821216980	CCMZVKBLAMBPPK-VIFPVBQESA-N	306.366	1.612	50	20	DDGD	
C#CCOc1ccc(C(C)=NNC(=O)C(=O)N2CCCC2)cc1	733203608	RVAGXUWIJOOINO-UHFFFAOYSA-N	313.357	1.161	50	20	DDGD	
CCCC1CCC(N(C)C(=O)c2cc(B(O)O)ccc2F)CC1	584981017	QYLONMAIARTDRT-UHFFFAOYSA-N	321.201	1.936	50	20	DDGD	
O=C(c1ccc(Cl)c2cccnc12)N1CC[C@@H](B(O)O)C1	585069714	PJWUHQZIRCRUIN-SECBINFHSA-N	304.542	1.577	50	20	DDGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NOCCO)c1C	490690903	DUBJWYCWHCVRCD-PWDRSIHYSA-N	321.377	1.259	50	20	DDGD	
CCO[C@@H](Cc1nc(-c2ccc(B(O)O)cc2)no1)C(C)C	585050568	CUQYOFNYJYMLFB-ZDUSSCGKSA-N	304.155	1.020	50	20	DDGD	
CN(CCCC(=O)NNc1c(F)c(F)nc(F)c1F)C(=O)O	737426284	BMRFOLPFZYPSNG-UHFFFAOYSA-N	324.234	1.471	50	20	DDGD	
COc1ccc(OC(F)(F)F)c(C(=O)NN(C)[C@H](C)CO)c1	823917499	IXFRIAKBWWYXAM-MRVPVSSYSA-N	322.283	1.551	50	20	DDGD	
CCn1cc(C=NNC(=O)[C@H](C)CN2CCC(C)CC2)nn1	901153888	KNLLGWWFQLBANX-CYBMUJFWSA-N	306.414	1.116	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2c[nH]nc2C)c(C)c1	732082335	ARAFHAWMWDUDFS-UHFFFAOYSA-N	318.402	1.888	50	20	DDGD	
Cc1cc(C)cc([C@@H](O)CNC(=O)/C(C#N)=C\c2cnn(C)c2)c1	491082363	IQJPEXGJNDXOKN-UGIZUQJLSA-N	324.384	1.794	50	20	DDGD	
O=C(/C=C\[C@@H]1CCOC1)NNC(=O)Cn1ccc2ccccc21	493062283	PAELAAVZYDKDKN-CFHLNLSMSA-N	313.357	1.381	50	20	DDGD	
CCc1ccc([C@@H](COC)NCc2ccc(B(O)O)cc2F)o1	585027591	BUSRXWJLSQJUBH-OAHLLOKOSA-N	321.157	1.138	50	20	DDGD	
COC[C@@]1(CO)CCN(C(=O)[C@H](Br)C(C)(C)C)C1	837083583	TUECPSWNTZINAG-GWCFXTLKSA-N	322.243	1.653	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1c(C)nn(C(C)C)c1C	901193696	AVMVRVXPDUTWPF-CYBMUJFWSA-N	310.398	1.582	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@]12CCCc1ccccc12)c1ncon1	832825885	KIJXXTHARSZQEF-WBMJQRKESA-N	312.329	1.125	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)c1	905101454	OIIHLPXNEXYWSN-VBNZEHGJSA-N	316.357	1.055	50	20	DDGD	
CC[C@H](O)[C@H](C)C(=O)NNC(=O)c1cccc(OC(F)F)c1	900561423	IYNDOGJPPITLQA-KWQFWETISA-N	316.304	1.456	50	20	DDGD	
C[C@]1(C(=O)Nc2ccc(CC(N)=O)cc2)C[C@H]1Br	906084032	VUBGRXGAGSDDCM-MFKMUULPSA-N	311.179	1.826	50	20	DDGD	
COC[C@H](OC)C(=O)NNc1cccc(Br)c1	830767029	UVRBZAVCCNXFON-JTQLQIEISA-N	303.156	1.554	50	20	DDGD	
CS(=O)(=O)C1CN(C(=O)CCCC[C@@H]2CCSS2)C1	837149267	VTPPCUJLSGJWKY-SNVBAGLBSA-N	323.505	1.956	50	20	DDGD	
CCO[C@@H]1C[C@@H](NS(=O)(=O)CCl)[C@H]1Oc1ccccc1	831139752	FMYFSYHBTOYFKR-JHJVBQTASA-N	319.810	1.727	50	20	DDGD	
Cn1nc(Br)cc1C=NNC(=O)[C@@H]1CCCCO1	834985443	ICHXLDVQOGDEQZ-VIFPVBQESA-N	315.171	1.202	50	20	DDGD	
CCCCC(CC)=NNC(=O)CSc1nnc(O)nc1O	732924382	XYVXVGBHVYHCAH-UHFFFAOYSA-N	313.383	1.447	50	20	DDGD	
O=C(O)CCOc1ccc(C=NNC(=O)[C@@H]2CCCCO2)cc1	834988580	LAKSHSDHVFLEDW-AWEZNQCLSA-N	320.345	1.559	50	20	DDGD	
C=CCOC(=O)/C(C#N)=C/c1ccc(OC)cc1OCC(=O)O	734483261	KAKMVEQNQQQMBI-KPKJPENVSA-N	317.297	1.795	50	20	DDGD	
CCCCn1ncc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1C	831578986	WVMMLRIDHLBXSX-VXGBXAGGSA-N	323.397	1.569	50	20	DDGD	
O=C(NCc1cnc2n1CCCC2)NNc1ncc(F)cc1F	838587625	PGQAEEXCJQCQBD-UHFFFAOYSA-N	322.319	1.719	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCCOc1ccc(Cl)cc1	910171610	YULRMVCESWBMMJ-LLVKDONJSA-N	300.786	1.843	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCc1ccc(OC(F)(F)F)cc1	910166403	WNBRPCRBZLWBDM-JTQLQIEISA-N	320.311	1.862	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@H]1CCN2CCC[C@@H]2C1	916572768	DWAUYCGZOILKDF-NWDGAFQWSA-N	320.368	1.397	50	20	DDGD	
C/C(=C/C(=O)OCC(=O)NNC(=O)c1cccc(C)c1)C1CC1	744828111	JNMSVKJNWSDGHP-XFXZXTDPSA-N	316.357	1.656	50	20	DDGD	
N#Cc1cccc(CNC(=O)NNC(=O)CC(F)(F)F)c1	918067108	FDALOPUHHVSYCE-UHFFFAOYSA-N	300.240	1.341	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC1CCN(CC(F)F)CC1	747309805	SNXAJJWEVDNMJK-UHFFFAOYSA-N	306.357	1.092	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)N[C@H](C)CS(C)(=O)=O	918607500	TYBPDPYXXVJDLV-SECBINFHSA-N	319.814	1.708	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)C1CCN(Cc2ccccc2)CC1	910170023	XFNOGJCPHNBGRZ-AWEZNQCLSA-N	305.422	1.242	50	20	DDGD	
Cc1cc(/C=C(\C#N)C(=O)OCCO)c(C)n1C[C@@H]1CCCO1	912618330	PQUWZZKDGTZTNJ-LRQZKABGSA-N	318.373	1.726	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNC(=O)C2CCCC2)C12CCC2	745849775	CNQVDEWSOWOBLO-QWHCGFSZSA-N	309.410	1.855	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2ncnc3ccsc23)CCN1	841986981	OHUODOVECHFUOC-RKDXNWHRSA-N	306.395	1.458	50	20	DDGD	
Cc1noc(C2CCC(=NNC(=O)[C@H]3CCO[C@@H]3C)CC2)n1	842562828	ZJNNSESIMASRMT-XTLKWQJWSA-N	306.366	1.933	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)C2(C(=O)NC3CC3)CCC2)n1	748333842	FGVNWVSOLNCNAX-UHFFFAOYSA-N	323.784	1.330	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@H]2CCC[C@H]2C(C)(C)C)cn1	841592123	ZULQLQXDSANYSH-NEPJUHHUSA-N	307.398	1.579	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(F)cc3nc[nH]c23)n1	918322397	WSOGTWFIXSYGLX-UHFFFAOYSA-N	302.269	1.258	50	20	DDGD	
CSc1cc(C)c(C(=O)NNC(=O)NCC(F)(F)F)o1	847114538	BFIQNBQBZOTCFQ-UHFFFAOYSA-N	311.285	1.816	50	20	DDGD	
COc1cc(/C=C(/C#N)C(N)=C(C#N)C#N)ccc1OCC(=O)O	916138137	RMRFEHBNTUGJHV-WCIBSUBMSA-N	324.296	1.326	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1cc(C)ccc1C	743446272	QSUFCJMNRBTCKS-UHFFFAOYSA-N	314.345	1.588	50	20	DDGD	
CC(=NNC(=O)C(=O)NC(C)C)c1ccc(OC(C)C)cc1	744817008	BXMJXDBXGGJFDL-UHFFFAOYSA-N	305.378	1.839	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NNC(=O)Nc1ccc(OC)cc1	742027549	WKIKHBWDIVBAJR-KTKRTIGZSA-N	304.306	1.292	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)[C@@H]1CCCNC1	841929296	VKUVAMGOYXAMAV-DGCLKSJQSA-N	322.384	1.087	50	20	DDGD	
CC[C@H](C)c1nc(C)c(CC(=O)NN(C)C(=O)OC)c(C)n1	848056263	ONXKJXIKTFLBQN-VIFPVBQESA-N	308.382	1.879	50	20	DDGD	
CC1CCN(C[C@H](C)C(=O)NN=C2C[C@H](C)n3ncnc32)CC1	841614456	LSWZCULFEKQTDU-STQMWFEESA-N	318.425	1.431	50	20	DDGD	
O=C(NCCNC1CC1)NNC(=O)c1ccc(Cl)cc1F	841930360	WXQNXYOOCAJIPC-UHFFFAOYSA-N	314.748	1.175	50	20	DDGD	
C[C@@H]1c2ccccc2CCN1C(=O)NNC(=O)c1ncccn1	841592104	KMXFGVZUFVHUKH-LLVKDONJSA-N	311.345	1.450	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H]2CCC(=O)C[C@@H]2C)cc1	846378233	UVWPYTFGPMEKDR-XHDPSFHLSA-N	318.373	1.851	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)[nH]c2c1C(=O)CCC2	843978915	ZDTVTUPCYJTESE-UWVGGRQHSA-N	319.361	1.028	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@@H](C)Cc2cnc[nH]2)o1	847402400	CKUUSEBSBWGWBP-VIFPVBQESA-N	302.338	1.715	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(-n2cccn2)c(F)c1	743808092	PSMVFSOIHFWISS-UHFFFAOYSA-N	321.312	1.201	50	20	DDGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(F)c(S(N)(=O)=O)c1	840716432	XCFSRKGWAVXFQT-POHAHGRESA-N	310.350	1.995	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)NC2CCCCC2)cc1C(F)F	929246360	NNRGEZPDLYBPKD-UHFFFAOYSA-N	315.324	1.634	50	20	DDGD	
CC(C)Oc1cccc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)c1	921258500	IKAKYSWIYHQBFX-ZDUSSCGKSA-N	324.402	1.359	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NC1C[C@H](C)C[C@@H](C)C1	748629826	DOWPCQQZWBLCDW-IJLUTSLNSA-N	315.414	1.193	50	20	DDGD	
N#CC1(CNC(=O)NNC(=O)c2ccc(Cl)cc2)CCC1	842197077	RGITXADBXAJBQL-UHFFFAOYSA-N	306.753	1.978	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cc(F)c(O)c(F)c1	855089260	JMBDVNFXSVMKOY-UHFFFAOYSA-N	315.345	1.579	50	20	DDGD	
CCOC(=O)[C@H](CC(=O)NN(C)C(=O)OC(C)(C)C)C(C)=O	854918577	BHULDUYSPOHPNN-SNVBAGLBSA-N	316.354	1.043	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)C1[C@H]2CCCC[C@H]12	855831105	GCJOLKHLZSGAKO-RYUDHWBXSA-N	323.437	1.513	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)CNC(=O)c2cccs2)cn1	750944229	VRYHZTSWIUFUDH-UHFFFAOYSA-N	319.390	1.235	50	20	DDGD	
Cn1nccc1COCC(=O)NC[C@]1(C)C[C@@H]1Br	857388748	VSJKANYXVICCLD-JQWIXIFHSA-N	316.199	1.226	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@@H]1CCN(c2ccccn2)C1	753730407	ZGNONPHVWJOUKR-CYBMUJFWSA-N	317.393	1.181	50	20	DDGD	
COC(=O)c1coc(C=NNC(=O)c2sc(N)nc2C)c1	758104946	RJZMZQYKOGEQFZ-UHFFFAOYSA-N	308.319	1.177	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCC(O)(CO)CC1	855685329	VCBZCMQBLGMVJP-LCYFTJDESA-N	304.321	1.078	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCOc1cccc(Cl)c1	854925391	FMJKMSVBIQXDMJ-UHFFFAOYSA-N	301.799	1.576	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCCS(=O)(=O)C(C)C	854068070	JOUUURXCHPAXIP-UHFFFAOYSA-N	317.386	1.583	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)C(C)(C)C)[C@@H]1C[C@H]2CC[C@H]1O2	853407989	JVQVWUICEDROQW-HZSPNIEDSA-N	323.437	1.989	50	20	DDGD	
CCc1nocc1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	854217213	LCSXMJMOMIENIH-SECBINFHSA-N	321.308	1.605	50	20	DDGD	
CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(C)=O	929181683	FINJYLYNLNNXKA-ONGXEEELSA-N	301.387	1.483	50	20	DDGD	
CCc1csc(CC(=O)NNC(=S)N[C@H](C)C2CC2)n1	855096442	BAMZKUGHPGXFHX-MRVPVSSYSA-N	312.464	1.542	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=C1CN(C2CC2)C[C@H]1C	755886205	LIXCUVIQSCQITC-ZIAGYGMSSA-N	306.454	1.695	50	20	DDGD	
CCC(C#N)(CC)C(=O)NNC(=O)COc1ccccc1O	859270541	DTCCVANAFOSTTR-UHFFFAOYSA-N	305.334	1.248	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)CC2(CC#N)CC2)C[C@H]1Br	856753545	TULBCNLIWMSKPR-ZJUUUORDSA-N	321.240	1.773	50	20	DDGD	
Cn1cc(C=NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)nn1	755788427	FGJQZJUVQVLPNT-UHFFFAOYSA-N	313.296	1.108	50	20	DDGD	
CCn1c(NNC(=O)[C@@](C)(O)CC)nc2ccccc2c1=O	929774469	ADBWRXHGOOCVID-HNNXBMFYSA-N	304.350	1.021	50	20	DDGD	
CC(=O)N1CC[C@@H](NC(=O)NNc2ccc(Cl)cc2C)C1	923370100	CYVJXUDWNZNOHK-GFCCVEGCSA-N	310.785	1.895	50	20	DDGD	
CC(C)(C(=O)NNc1ccc([N+](=O)[O-])cc1F)S(C)(=O)=O	855621043	JMAMRNHIRSQWGN-UHFFFAOYSA-N	319.314	1.000	50	20	DDGD	
CCN(CCO)c1ccc(C=NNC(=O)c2cc[nH]n2)c(C)c1	853393224	YKSKWITUAVOXHW-UHFFFAOYSA-N	315.377	1.301	50	20	DDGD	
O=C(CC(F)(F)F)NN=Cc1cnc(N2CCOCC2)s1	755661357	LKPKIPLFCOSEMP-UHFFFAOYSA-N	322.312	1.382	50	20	DDGD	
C[C@@H](C(=O)NCCCSC#N)N(C)C(=O)OC(C)(C)C	854363682	INYOUXYUIDCIHN-JTQLQIEISA-N	301.412	1.962	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cccc(Br)c1C	756313268	KWOXKFVFJJOFDO-UHFFFAOYSA-N	316.155	1.557	50	20	DDGD	
Cc1ccc(NNC(=O)CCc2nc(N(C)C)no2)cc1F	856227424	CSAADCRCCGDRQV-UHFFFAOYSA-N	307.329	1.659	50	20	DDGD	
O=C(NN=C/C=C/c1ccc(F)cc1F)C(=O)N1CCCC1	758109496	NUEVVZPXIRPSCH-CQEQZCBESA-N	307.300	1.702	50	20	DDGD	
CC(=NNC(=O)CS(C)(=O)=O)c1c(F)cccc1Cl	863186220	SFTQECVTNNOYDB-UHFFFAOYSA-N	306.746	1.364	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H]2CC(=O)NNc1cc(C)ncn1	760569272	ZSTMVYHZQJGYDJ-NSHDSACASA-N	314.345	1.803	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)Nc1ccc2ncccc2c1	764341014	CKPAYNNJJXWPPV-UHFFFAOYSA-N	312.329	1.121	50	20	DDGD	
Cc1nnc(NNC(=O)c2scnc2C2CCCC2)nc1O	760164779	IRSCIDFXAADCJI-UHFFFAOYSA-N	320.378	1.757	50	20	DDGD	
COCCn1ccc(NC(=O)NNC(=O)c2cc(C)cs2)n1	860568229	FVCPLIOMYKNUPI-UHFFFAOYSA-N	323.378	1.366	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1CCC(=NNC(=O)c2cnccn2)C1	863077026	JNOFZNKGHGLHQM-JTQLQIEISA-N	319.365	1.640	50	20	DDGD	
CCCC(=O)N1CCC[C@@H](C(=O)NN=c2cc[nH]c(C)c2)C1	862510282	AQGOWXKSVGTWPG-CYBMUJFWSA-N	304.394	1.294	50	20	DDGD	
CC(C)COc1ccccc1C(=O)NNC(=O)c1cn[nH]c1	862471762	NNSOFNCIMKKFND-UHFFFAOYSA-N	302.334	1.519	50	20	DDGD	
COC(=O)N(C)NC(=O)c1nc(C)ccc1Br	935908674	PKECQAOPSFMWNO-UHFFFAOYSA-N	302.128	1.496	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)CC2COC2)c1C	769674904	IHGCXONRFYTTEA-GFCCVEGCSA-N	306.362	1.255	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNc1ccnc(Br)c1	867472954	GXVIRBDBNFIGPS-SECBINFHSA-N	315.171	1.202	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccc2nnc(O)n2c1	762931353	JMXTUWYQMUWLKA-UHFFFAOYSA-N	314.261	1.100	50	20	DDGD	
Cn1c(C(=O)NNC(=O)C2CCCC2)cc(=O)c2ccccc21	864844863	FKLFJUWROXIAGP-UHFFFAOYSA-N	313.357	1.490	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNC(=O)[C@H](CC)c1ccccc1	865695844	QOYJRVMPUGFHFP-ZIAGYGMSSA-N	305.378	1.242	50	20	DDGD	
Cc1ccc(NC(=O)NN=c2cc[nH]c(C)c2)c(N(C)C)n1	860810892	MNYKJBBEYIVTAF-UHFFFAOYSA-N	300.366	1.730	50	20	DDGD	
COCCOCC(=O)NNC(=O)CC(C)(C)c1ccccc1	869909070	IASOIWGBVHRLGA-UHFFFAOYSA-N	308.378	1.165	50	20	DDGD	
Cc1cn2ccnc(C(=O)NNc3cc(Cl)ccn3)c2n1	762236313	BSQUHPYALRDIOE-UHFFFAOYSA-N	302.725	1.843	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NN[C@@H](C)C(F)(F)F)nc1C	862307990	UYJCQPFHCKACOG-QMMMGPOBSA-N	319.283	1.752	50	20	DDGD	
COC(=O)CCC[C@H]1CCCC(=NNC(=O)[C@H]2CCC(=O)N2)C1	863150520	WHYXDWCQCBUMEW-DGCLKSJQSA-N	323.393	1.271	50	20	DDGD	
COc1nccnc1NNC(=O)C(=O)c1cc(F)ccc1C	764481319	DDKHGRHBQYLUFZ-UHFFFAOYSA-N	304.281	1.259	50	20	DDGD	
COCC1(C(=O)NNC(=S)Nc2ccccc2OC)CC1	873769797	YFNSZPAOZRKQQS-UHFFFAOYSA-N	309.391	1.439	50	20	DDGD	
CCC1(CC)CCC(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1	875526617	VKZFHOPSRIDFAF-LBPRGKRZSA-N	324.425	1.344	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NN=c1cc[nH]cc1Cl	879133913	MLSPBKNQIHLPLL-SDBXPKJASA-N	305.769	1.689	50	20	DDGD	
Cc1cncc(NC(=O)C(=O)NNc2nccnc2C(C)C)c1	773992777	LQIGXGTZSNKPGK-UHFFFAOYSA-N	314.349	1.385	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H]1CCCN(CC(C)C)C1	875404222	WZHRQVCLCZVUNC-GFCCVEGCSA-N	300.403	1.267	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NNc2ccn(C)n2)C1	1116853037	YJWCFVGZVGWAEG-NEPJUHHUSA-N	307.398	1.148	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NOC1CCOCC1)c1ccccc1	773295029	YZUPFJYAAJJNKW-UHFFFAOYSA-N	321.377	1.405	50	20	DDGD	
Cn1ncc(C(=O)NNc2ncc(F)cn2)c1-c1ccccc1	775552991	KLYCWRJBHZFPDI-UHFFFAOYSA-N	312.308	1.773	50	20	DDGD	
Cc1cc(=NNC(=O)NCC2(CN(C)C)CCCC2)cc[nH]1	875492371	KHWUKLBEHLMXMJ-UHFFFAOYSA-N	305.426	1.560	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2nccnc2C(C)C)on1	772840609	JWGVOKABLQACEA-UHFFFAOYSA-N	305.294	1.132	50	20	DDGD	
CC(=O)CC(C)(C)CC(=O)NNC(=S)Nc1ccccn1	874955721	FYPQACHRHMEFNM-UHFFFAOYSA-N	308.407	1.795	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCC(F)F)cc1C	879759603	SWMOBDLLVQVPNS-UHFFFAOYSA-N	301.293	1.278	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cccn(CC(F)(F)F)c1=O	878914502	WCAOQDKYNUCLDW-UHFFFAOYSA-N	322.243	1.145	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NN=Cc1ccc(O)c(C(=O)O)c1	777427024	PQOLYXUGSBZARV-UHFFFAOYSA-N	316.288	1.922	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(Cl)ccc1O	771891546	NJJZUJJTZZACML-ZETCQYMHSA-N	314.725	1.148	50	20	DDGD	
CC1=CCC[C@H](C)[C@H]1C=NNC(=O)[C@@H](C)NS(C)(=O)=O	773207018	JVBCJBUIPLWOIV-TUAOUCFPSA-N	301.412	1.019	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cccc(Cl)c1O	775676488	WNXJBITXGNLOND-UHFFFAOYSA-N	301.730	1.026	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@H](CC)c1ccccc1OC	775075963	HWBGENDZNQOHJS-DGCLKSJQSA-N	307.394	1.682	50	20	DDGD	
O=C(Cc1cccnc1)NNS(=O)(=O)CCC1CCCC1	882697244	CCFCFUWEHANOOL-UHFFFAOYSA-N	311.407	1.155	50	20	DDGD	
COC(=O)CCc1cccc(NC(=O)NNC(=O)C2CCC2)c1	881095368	NKHHNXWUWIUOEJ-UHFFFAOYSA-N	319.361	1.745	50	20	DDGD	
CC(C)CN1CCC[C@@H]1C(=O)NNC(=O)CCc1ccccc1	1120688157	VKLCKOSWUACSPA-MRXNPFEDSA-N	317.433	1.887	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cc(-n2cccn2)ccn1	781824282	PTHMZARAZDSDGK-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
O=C(CCc1cccc(O)c1)NNC(=S)NCC1CCC1	1123833089	UZNHLYBGAQWTKS-UHFFFAOYSA-N	307.419	1.620	50	20	DDGD	
CCOc1cc(C=NNC(=O)C(C)(C)O)cc(Cl)c1O	785463012	ZREJQLVEGFGSOO-UHFFFAOYSA-N	300.742	1.665	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)[C@@H](C)CS(C)(=O)=O	885124683	BJQBPVPZMPBFKZ-VIFPVBQESA-N	304.799	1.772	50	20	DDGD	
Cn1ncc(NC(=O)NNC(=O)[C@@H]2CCCCO2)c1C1CC1	880462049	CMSUOQBLUPVWMS-NSHDSACASA-N	307.354	1.019	50	20	DDGD	
Cn1c(CC(=O)NN=C[C@@H]2CCSC2)nc2ccccc21	782150138	LAEHDPJRPVZLQD-NSHDSACASA-N	302.403	1.971	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)Cc1ccc2c(c1)NC(=O)C2	784598086	HZEZZJIFNBKLNR-UHFFFAOYSA-N	320.418	1.018	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@]1(OC)CCSC1	897563456	MQPWDHXABKOWSM-ZDUSSCGKSA-N	300.355	1.800	50	20	DDGD	
COCc1ncsc1C(=O)NNc1cc(C#N)cc(Cl)n1	786504882	LVAYXZUIOVKNHZ-UHFFFAOYSA-N	323.765	1.966	50	20	DDGD	
COc1cc(OC)c(C(C)=NNC(=O)C(C)(C)O)cc1Cl	785460756	LIFSMCSAXKVGJV-UHFFFAOYSA-N	314.769	1.968	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H]1C[C@H]1c1cc(OC)ccc1OC	788088919	RJXQYBFDRYGSAL-WCQYABFASA-N	321.377	1.548	50	20	DDGD	
CC1(C)[C@@H](NS(=O)(=O)c2ccc(CCl)cc2)C[C@H]1O	388679252	ROIPPVDEWCBIRH-NWDGAFQWSA-N	303.811	1.863	50	20	DDGD	
COc1ccn2c(C(=O)NNC(=O)CC(C)(C)C)cnc2c1	896148960	QFKZFFLKZRZBQB-UHFFFAOYSA-N	304.350	1.540	50	20	DDGD	
C#CCSCC(=O)NNc1nc2ccccc2c(=O)n1CC	895545331	SIIJKXKMCYLEAR-UHFFFAOYSA-N	316.386	1.226	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCCc2ccccc2)n1	792762561	JQDDFSJIGMUAFA-UHFFFAOYSA-N	312.373	1.967	50	20	DDGD	
O=C(CNC(=O)N1CCCC1)NNc1nccc2sccc12	894964441	QMYRAVIXOYXUHR-UHFFFAOYSA-N	319.390	1.545	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)Cc1ncccc1F	792129402	VCZWDEVREJHPGX-UHFFFAOYSA-N	315.348	1.934	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	792764121	SHQRMCSAAJYIPB-BXKDBHETSA-N	309.322	1.417	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cccc(NS(C)(=O)=O)c1	791220308	FCFIZQQIYOVUJX-UHFFFAOYSA-N	320.374	1.518	50	20	DDGD	
O=C(Cc1ncccc1F)NNC(=O)c1ccc(Cl)nc1	792062826	UXUBKJJFHICSEK-UHFFFAOYSA-N	308.700	1.273	50	20	DDGD	
Cn1nnc2cc(C=NNC(=O)c3ccc(O)c(O)c3)ccc21	794558596	DVJSKIZXTMHAOR-UHFFFAOYSA-N	311.301	1.143	50	20	DDGD	
COCCOc1ccc(NC(=O)NNc2cccc(F)n2)cn1	796638691	HZRFSGAYBBRMLO-UHFFFAOYSA-N	321.312	1.790	50	20	DDGD	
CC[C@@H]1CC[C@@H](C)CC1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	797401671	LKRGRVILKCTCCV-IJLUTSLNSA-N	315.439	1.675	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCc2cncnc2)c2ccccc21	794195275	YCBJFKLOYDEKNP-UHFFFAOYSA-N	323.356	1.362	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc(F)cc(Cl)c2O)n1	795668964	PNVLLROBUAWIBZ-UHFFFAOYSA-N	323.711	1.963	50	20	DDGD	
CC[C@H]1CN(CC(=O)NNC(=O)c2cccs2)CCCO1	799201439	XRBBVLZIZLUWHW-NSHDSACASA-N	311.407	1.010	50	20	DDGD	
COc1ccc(O)c(C(C)=NNC(=O)N2CCN(C)CC2)c1	790178812	LMVGYKHHIZFSSC-UHFFFAOYSA-N	306.366	1.082	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(-c2cnco2)cc1	798306440	HSHXHUHLBYLJCX-UHFFFAOYSA-N	302.359	1.637	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cnoc2C2CC2)cc1	1319338991	QNMLGESRSBZPRG-UHFFFAOYSA-N	315.329	1.700	50	20	DDGD	
C[C@]1(CNC(=O)Cn2cc(C3CC3)nn2)C[C@@H]1Br	1328645908	XWXTZWFNDNXUPX-CMPLNLGQSA-N	313.199	1.445	50	20	DDGD	
Cc1cc(C=NNC(=O)C(=O)Nc2ccc(C)c(C)c2)ncn1	1324882931	LOIWKMCNBYQGEI-UHFFFAOYSA-N	311.345	1.491	50	20	DDGD	
CCS(=O)(=O)c1cccc(NC(=O)NN(C)CCOC)c1	1331772525	YYMAIXYJBVEKGC-UHFFFAOYSA-N	315.395	1.095	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc(N2CCCC2)cc1	1332318490	MQWRMPYHPNSPGI-UHFFFAOYSA-N	305.378	1.400	50	20	DDGD	
CCC1(CC)CN(C(=O)NNC(=O)c2cn[nH]c2)CCS1	1331537563	YBVFFAWQHDQWAD-UHFFFAOYSA-N	311.411	1.372	50	20	DDGD	
C[C@]1(CNC(=O)[C@H](N)Cc2ccccc2)C[C@H]1Br	1331344453	MNQGUDNQDCGNKW-YRGRVCCFSA-N	311.223	1.846	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H]1C[C@H](c2ccccc2)OC1=O	1347466086	CEECHTBVZIFGSY-VXGBXAGGSA-N	321.402	1.195	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)NC/C=C/Cl)C[C@@H]1Br	1341676252	LWKGFDFUTGIQTO-SSWUGZLXSA-N	309.591	1.145	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@H]2CCC[C@]2(N)C1	1351162258	DIAUBTOTQPPDLB-DOMZBBRYSA-N	310.829	1.692	50	20	DDGD	
CO[C@@H]1CCC[C@H]1NC(=O)NNc1cccc(C(=O)O)c1F	1607000043	PCUOXAYKBDISPO-MWLCHTKSSA-N	311.313	1.718	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NN=C1C[C@H]2C[C@H](C(=O)O)[C@H]1C2	1608360216	HLLRVZPVLAMSNS-RTXFEEFZSA-N	304.321	1.971	50	20	DDGD	
C=CCOC(=O)/C(C#N)=C/c1ccc(-c2nn[nH]n2)c(OC)c1	1609058572	HOGZJEXXUXTFDJ-YRNVUSSQSA-N	311.301	1.511	50	20	DDGD	
Cc1nccc(CCC(=O)NNc2ccc(CC(=O)O)cc2)n1	1600748732	GMCOJXKGTVZVKV-UHFFFAOYSA-N	314.345	1.488	50	20	DDGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1C[C@H](O)C[C@@H](C(=O)O)C1	1601063410	REQRTSFZFDDLND-ZFBBSJLISA-N	317.301	1.227	50	20	DDGD	
O=C(O)C1=NO[C@H](C(=O)NNc2cccc(C(F)(F)F)c2)C1	1605970051	LGWQDHOQNCJLAQ-VIFPVBQESA-N	317.223	1.378	50	20	DDGD	
O=C(NNC(=O)c1ccccc1C(=O)O)OCC(F)(F)F	1601555536	GSLDYJLAYFCSCG-UHFFFAOYSA-N	306.196	1.318	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(CCC(=O)O)Cc1ccccc1	1605617302	ZGGIKYXCRHLQKW-OWBHPGMISA-N	302.330	1.934	50	20	DDGD	
Cn1c(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cnc1Cl	1606212994	AJSHJYWPZGJKEZ-UHFFFAOYSA-N	318.728	1.011	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CC[C@H](C(=O)O)[C@@H]2CCCC[C@H]21	1605616836	UAQOVKOKZUNWCS-FLLGMSFISA-N	306.362	1.922	50	20	DDGD	
O=Cc1cncc(C(=O)NNc2ccc(C(=O)O)c(F)c2)c1	1602669380	MQAQROZVNLTDBO-UHFFFAOYSA-N	303.249	1.488	50	20	DDGD	
C[C@@H]1OCC(=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)[C@@H]1C	1603953537	INIKQOALDKDZCK-BDAKNGLRSA-N	300.322	1.007	50	20	DDGD	
Cn1cc(NC(=O)NNc2cccc([N+](=O)[O-])c2)cc1C(=O)O	1600965490	DMYPGEHACHCBEV-UHFFFAOYSA-N	319.277	1.780	50	20	DDGD	
N#CCCN1CCN(C[C@@H](CBr)C2CC2)CC1	859210970	FAZXDGQNZNYNLQ-CYBMUJFWSA-N	300.244	1.939	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)CCC1CNC1	1579155437	NRVFKCWFMAISHD-UHFFFAOYSA-N	311.769	1.109	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H]1C[C@@]12CCCNC2	1579180783	RLWFEPCPLDGKNN-IAQYHMDHSA-N	306.318	1.899	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccoc2CC(=O)O)C[C@H]1Br	1594027699	ZTRNRZYGVHBTED-SKDRFNHKSA-N	316.151	1.810	50	20	DDGD	
NCc1cc(C(=O)NNc2cc(Cl)ccc2[N+](=O)[O-])ccn1	1580335434	NPNJXHBQHDGRTD-UHFFFAOYSA-N	321.724	1.859	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)C[C@H]1CCNC1	1580574739	XHJVOIJAMOEHOQ-CYBMUJFWSA-N	311.385	1.529	50	20	DDGD	
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NN=c1cc[nH]cc1F	1580366379	YTVIABPLBUNHCQ-ZDUSSCGKSA-N	313.336	1.137	50	20	DDGD	
C=C(CBr)COC(=O)c1ccncc1C(=O)O	1588605206	CRMDPQTZIJIGKS-UHFFFAOYSA-N	300.108	1.888	50	20	DDGD	
C[C@@H]1O[C@H](C)C[C@H]1NC(=O)NNc1ccc(C(=O)O)cc1F	1594258427	SXVIGYUYJNSGGY-RGNHYFCHSA-N	311.313	1.716	50	20	DDGD	
CC[C@@H]1C[C@H]1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	1590869264	YMKTZXWCOQSIJY-HTRCEHHLSA-N	307.745	1.404	50	20	DDGD	
COc1c(NC[C@]2(C)C[C@H]2Br)ncnc1C(=O)O	1599343674	VSOMOVFHZHWTPG-KBUNVGBDSA-N	316.155	1.769	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)ccc1C(=O)O	1776082543	XCIDIYULKFRBBQ-MWLCHTKSSA-N	306.318	1.269	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)C3CC3)CCO2)C1	1781224717	ZMHNASDYQQTRDH-SWLSCSKDSA-N	314.813	1.244	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2ccccc2OCC(N)=O)c1	150771044	JBOMETZYLHUMRG-UHFFFAOYSA-N	317.320	1.755	50	20	DDGD	
CC[C@@H](C)n1ncc2c(C(=O)NNC(=O)OC)cc(C)nc21	158690122	BVSCKFRXIWPALR-SECBINFHSA-N	305.338	1.712	50	20	DDGD	
Cn1c(=O)[nH]c2ccc(C(=O)NNc3cccc(F)c3)cc21	152772170	OCKROJBDLQYMDQ-UHFFFAOYSA-N	300.293	1.763	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2C=CCCC2)cc1	157701594	KTMIIJPFAYQTMF-CYBMUJFWSA-N	314.345	1.376	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](c2ccccc2)N(C)C)nc1	159235189	CRUIAMKJZABQNE-HNNXBMFYSA-N	300.362	1.836	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2NCCc3ccccc32)n1	159087144	MPFBWQOCUOSOTE-CQSZACIVSA-N	313.361	1.124	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)/C=C/c1ccc(Cl)cc1	109996456	FBSYJEBDEDXOTP-QPJJXVBHSA-N	304.737	1.846	50	20	DDGD	
C[C@H]1CCC[C@@H]1NC(=O)NNC(=O)COc1ccccc1C#N	105312200	PXXUEYKXQPWJNZ-AAEUAGOBSA-N	316.361	1.456	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)Cc1nc2ccccc2s1	109826868	WVUWEIZJDUYYGX-JTQLQIEISA-N	320.418	1.674	50	20	DDGD	
CC(C)NC(=O)CCCC(=O)NNC(=O)c1cccc(C#N)c1	104899970	BWQPIKUFBQOPQD-UHFFFAOYSA-N	316.361	1.014	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccn(C)n2)cc1C#N	179420023	XNMUBGLRYYCROG-MDWZMJQESA-N	307.313	1.846	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(OC)c(OC(F)F)c1	65189635	UCNSRFCIZWFIMN-UHFFFAOYSA-N	303.265	1.261	50	20	DDGD	
CC(C)COc1ccc(CC(=O)NNC(=O)[C@@H]2CCCO2)cc1	106741922	WFQAVWWJLOOKRH-HNNXBMFYSA-N	320.389	1.590	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)cc1	171230339	CPCBEIAVSPHTQW-NWANDNLSSA-N	312.373	1.938	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCCN(C)C(C)C)cc(C#N)n1C	112928788	ISDCAMFPMFEUMB-NVNXTCNLSA-N	313.405	1.569	50	20	DDGD	
O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc[nH]1	171632342	ONWAKTPLNKWOKY-UHFFFAOYSA-N	320.374	1.212	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(-n2cnnn2)cc1	179005942	QHNVWTXBEYMNCU-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
O=C(CN(Cc1ccc(F)cc1)C1CC1)NNC(=O)C1CC1	112976034	TWPHFKHBKKXFOJ-UHFFFAOYSA-N	305.353	1.348	50	20	DDGD	
COC(=O)NNC(=O)c1c(C)nn(-c2ccccc2)c1Cl	171301921	YPKVFTBDKKBBBD-UHFFFAOYSA-N	308.725	1.835	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc(CNC(N)=O)cc2)n1	22234070	WJZQJTICGYSVTA-UHFFFAOYSA-N	314.349	1.019	50	20	DDGD	
COCCC(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1	171351497	WJXHRTWTLIZJFO-LBPRGKRZSA-N	316.357	1.791	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(C#N)cn1C(C)(C)C	66595262	UMMSPLVKEZYMIG-UHFFFAOYSA-N	307.354	1.304	50	20	DDGD	
CN1CCC(NC(=O)NNc2cc(F)c(F)cc2F)CC1	115784327	FUQWWOMEAVMELN-UHFFFAOYSA-N	302.300	1.824	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(CC)c(CC)c1	1342875364	AKQACJLCFACSKI-LLVKDONJSA-N	320.389	1.914	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccn(CCC(F)(F)F)n1	1347126400	MJVDXGNFEGAINR-UHFFFAOYSA-N	304.272	1.397	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CC(=O)NNC(=O)c1cccnc1	124415686	DLPNCUKOVMQHDN-SECBINFHSA-N	302.334	1.641	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])[C@@H]1OCCc2ccccc21	124119172	ZAWLBXQIFAIALF-CYBMUJFWSA-N	314.301	1.747	50	20	DDGD	
CC(=O)N[C@@H](CC(C)C)C(=O)NNc1ccc([N+](=O)[O-])cc1	180743794	OCVVJJIYZLHRAD-ZDUSSCGKSA-N	308.338	1.589	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)Cc1cccnc1	185455668	RHFGLCJBOFIGKT-CABCVRRESA-N	319.405	1.757	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1cccc(-c2cc[nH]n2)c1	185956621	UZYXCIYUAQLOGJ-UHFFFAOYSA-N	322.328	1.938	50	20	DDGD	
C[C@H](CCc1ccc(O)cc1)NC(=O)NNc1cccnn1	77341395	UWGVNDLRDSRDLE-LLVKDONJSA-N	301.350	1.830	50	20	DDGD	
Cc1cccc(C)c1OCCC(=O)NNC(=O)c1cccn1C	122596084	HXRAIGFLBOZUCZ-UHFFFAOYSA-N	315.373	1.872	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCCC[C@@H](C)C1	187972413	QIHAONXJCMEDSU-CQSZACIVSA-N	317.433	1.807	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CO)c(C)n1[C@H](C)c1ccccc1	182760813	OTYMZZRJNLEXMA-GFCCVEGCSA-N	315.373	1.468	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNc1nc(-c2ccccc2)no1	132257444	NGBSGNGXMDICKF-VIFPVBQESA-N	304.306	1.379	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H]2Cc3cc(F)ccc3O2)n1	76957797	LALCOKFWZFRITL-NSHDSACASA-N	304.281	1.071	50	20	DDGD	
O=C(NCCc1cccc(F)c1)NNC(=O)c1ccccc1O	45132529	AOTURALARULTRK-UHFFFAOYSA-N	317.320	1.718	50	20	DDGD	
COc1ccc(-c2ncc(C(=O)NN(C)C(N)=O)s2)cc1	181071491	QDAVECLSCGPAOX-UHFFFAOYSA-N	306.347	1.474	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1ccc2ccn(C)c2c1	186108051	INACEZSOAVCFAN-UHFFFAOYSA-N	311.345	1.983	50	20	DDGD	
CSCC[C@H](C)NC(=O)NNC(=O)Cc1ccccc1F	133693709	SXNFQDXQPRGIBH-JTQLQIEISA-N	313.398	1.840	50	20	DDGD	
Cc1cc(C)n(-c2ccc(C(=O)NN(C)C(N)=O)cc2F)n1	181067478	HQRWFZXDLDOWNU-UHFFFAOYSA-N	305.313	1.284	50	20	DDGD	
CCCCCNC(=O)NNC(=O)COc1ccc(OC)cc1	42845254	MGBHPYODYLQRLL-UHFFFAOYSA-N	309.366	1.595	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)CC1CCSCC1	135512186	PCPOKEMOKOEMGV-UHFFFAOYSA-N	322.430	1.884	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cn2ccc3ccccc32)ncn1	130540398	YBQSKBVSOIBMHL-UHFFFAOYSA-N	309.329	1.201	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC(C2CC2)C2CC2)n1	45438390	FVOUDQYUXSMRBN-UHFFFAOYSA-N	305.382	1.019	50	20	DDGD	
Cc1cccc([C@@H](C)C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c1	131683498	VTVMFCSAIOXYKH-HIFRSBDPSA-N	324.446	1.591	50	20	DDGD	
CC(C)=CCNC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	190621828	IODNSCBTLLROTA-NSHDSACASA-N	309.341	1.890	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@@H]1CC(c2cccnc2)=NO1	192278896	XZAFCFIVIRPJIN-LBPRGKRZSA-N	304.350	1.158	50	20	DDGD	
COC(=O)C[C@@H]1CSCCN1C[C@@H](C)CBr	248743447	RWBXIKWCGOGRBT-VHSXEESVSA-N	310.257	1.998	50	20	DDGD	
C[C@@H]1COCCN1C(=O)NNC(=O)c1cc2ccccc2o1	267634144	YQTNDGJXXFFJJQ-SNVBAGLBSA-N	303.318	1.508	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H](C)OC[C@@H]2CCCO2)n1	267160301	KDUFKBGJDCAHCI-SCZZXKLOSA-N	314.773	1.466	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CC(C)C)c(=O)oc2ccccc12	267456922	JZQUQMXSQPRGTM-UHFFFAOYSA-N	302.330	1.909	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2CCOC3(CCC3)C2)n1	269314970	KGDCOYMRXCPNHK-LLVKDONJSA-N	321.381	1.521	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccnnc2C)c1	269891960	FAQGQPXHRJAWIM-UHFFFAOYSA-N	314.345	1.242	50	20	DDGD	
Cc1ccc(O[C@@H](C)CNC(=O)NNC(=O)C2CCC2)cc1	266650634	ZQBNNMIBVCDYKQ-LBPRGKRZSA-N	305.378	1.893	50	20	DDGD	
C[C@H]1CCCN(C(=O)C(=O)NNc2cccc(F)c2[N+](=O)[O-])C1	279589998	FMQJTVRLFKDVPK-VIFPVBQESA-N	324.312	1.436	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)C2CC2)cc1C(=O)N(C)C	274161320	UXPIIMVHHJBMBN-UHFFFAOYSA-N	304.350	1.260	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc2c(c1)CC(C)(C)O2	274877933	YYEVAYLWDMEFDO-UHFFFAOYSA-N	306.366	1.114	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2cncc(C)c2)nc1C	272183146	LYSFOUPPYLKRLM-UHFFFAOYSA-N	315.333	1.422	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NNC(=O)OC(C)(C)C)cn1	274083814	OBCPHNZOJBWWMP-UHFFFAOYSA-N	317.367	1.198	50	20	DDGD	
CCOC(=O)COc1ccc(NC(=O)NNC(=O)OC)cc1	274691909	LRSBSXMSGKFVIA-UHFFFAOYSA-N	311.294	1.021	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C1(c2ccccc2)CC1	276569174	MXAHIHRICYWYNK-UHFFFAOYSA-N	320.389	1.655	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2CCN3CCCC[C@H]23)nc1	275964792	MWZDUGUFCMSEFJ-CHWSQXEVSA-N	305.382	1.343	50	20	DDGD	
CC(C)CS(=O)(=O)NNC(=O)CSc1ccccc1O	270645345	PIFCLZYMICARTA-UHFFFAOYSA-N	318.420	1.091	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2cnc3c(c2)COCC3)n1	374889776	CRUQJVUMALFUGN-UHFFFAOYSA-N	314.349	1.710	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@]12CCOC2)c1ccc(Cl)cc1F	372523114	PKJRAKVEXGNHIB-HZMBPMFUSA-N	312.728	1.667	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNC(=O)COc1cc(C)ccc1C	284962602	LAIWBMDHUQJUKB-INIZCTEOSA-N	303.362	1.770	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	280421456	IFBUHNMHORUPDW-SECBINFHSA-N	313.289	1.014	50	20	DDGD	
COCCOc1cc(OC)ccc1C(=O)NN(C)C(=O)OC	286451038	SIQVFDIPNMECJL-UHFFFAOYSA-N	312.322	1.063	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)c1cc(C2CC2)no1	281788657	KZSGWCGAOULOKO-UHFFFAOYSA-N	319.292	1.531	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccco1	371527154	GZAVUWCWHLZUDS-NXEZZACHSA-N	323.349	1.055	50	20	DDGD	
CN(C)C(=O)c1ccc(S(=O)(=O)N2CC=C(C#N)CC2)cc1	282433822	GGJHNEBFAJCZSC-UHFFFAOYSA-N	319.386	1.233	50	20	DDGD	
COC(=O)N(C)NC(=O)C1(OCc2ccccc2)CCOCC1	286523941	XRSXOQMDTZCKRL-UHFFFAOYSA-N	322.361	1.482	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNc1cc(Cl)nc(C)n1	809694286	NBUHEQLRNYRBOG-SSDOTTSWSA-N	300.746	1.471	50	20	DDGD	
O=[N+]([O-])c1c(O)nc(O)nc1/C=C\c1cnn(CCCl)c1	806563600	VBEWBOFETMAEBL-UPHRSURJSA-N	311.685	1.402	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1cccc(F)c1Cl	806769873	RORYHQMOXSZHSZ-UHFFFAOYSA-N	311.704	1.977	50	20	DDGD	
C=C1c2ccccc2C(=O)N1CC(=O)NNc1ncccc1F	804215372	NJHYWYMBGHGDMW-UHFFFAOYSA-N	312.304	1.791	50	20	DDGD	
O=C(NNC(=O)C1(Cc2cccc(F)c2)CCC1)[C@@H]1CCCO1	294681290	PLTKFMMZDWNWDH-AWEZNQCLSA-N	320.364	1.865	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)Cn1cnc2ccccc21	299289448	HPZUHJSIKYGNKJ-LBPRGKRZSA-N	316.361	1.165	50	20	DDGD	
C[C@@H]1CCC[C@H](OCC(=O)NNC(=O)N=c2cc[nH]cc2)C1	802028222	OLLQFMKAJTUBTD-YPMHNXCESA-N	306.366	1.252	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)/C=C/CN(C)C)cc1C	298309470	QDDRDHISMXFPFE-VOTSOKGWSA-N	305.378	1.733	50	20	DDGD	
COc1ccc2c(c1F)CCC2=NNC(=O)CN1CCCC1=O	807956895	ZADSUWIUJLGSKU-UHFFFAOYSA-N	319.336	1.223	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C(F)F)ccc1OC(C)C	298310683	QQIXZBYIGFMEJK-UHFFFAOYSA-N	302.277	1.509	50	20	DDGD	
CCCCCOCC(=O)NNC(=O)CNc1ccccc1OC	299402797	YGAARZWTOFBBLK-UHFFFAOYSA-N	323.393	1.461	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)/C=C\c1cccc(F)c1	808045949	SSFFNLZWTMIEFR-KTKRTIGZSA-N	324.352	1.776	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802118966	SDCLYKILMWVEJJ-STQMWFEESA-N	306.366	1.330	50	20	DDGD	
CC(C)[C@H](O)C(=O)NNC(=O)c1ccc(Br)s1	291452200	MCTMLGSATKTDEP-QMMMGPOBSA-N	321.196	1.289	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)Nc1cc(F)cc(F)c1)OC	297214161	VRHZWBHQVJFRSD-NSHDSACASA-N	316.308	1.726	50	20	DDGD	
CCn1cccc(CNC(=O)NNc2cccc(F)n2)c1=O	805387738	PTIRENGNYYDHLW-UHFFFAOYSA-N	305.313	1.229	50	20	DDGD	
COc1cccc(/C(C)=C/C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	294082591	CNBVQSNHWVXZKO-HAGUTBJNSA-N	318.373	1.813	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1	297833117	GTPMPYAEVUOAMA-LBPRGKRZSA-N	318.377	1.475	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cc(CN3CCCC3)on2)cc1	291930932	OLDWYARWYHYRCW-UHFFFAOYSA-N	311.345	1.899	50	20	DDGD	
Cc1nn(C(C)(C)C)cc1C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	294097886	DFOSMHSZZWUMLC-CABZTGNLSA-N	308.382	1.275	50	20	DDGD	
CC[C@H](CO)C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	802046830	KHCOPYYPSDYRRO-MRVPVSSYSA-N	317.292	1.459	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC[C@H](OC)C1CC1)c1ccccc1	296923966	OKMGILGLFJHIEL-GJZGRUSLSA-N	319.405	1.936	50	20	DDGD	
CN(NC(=O)Nc1nc(CN2CCOCC2)cs1)C1CC1	818097770	VILMBHLMYIILEO-UHFFFAOYSA-N	311.411	1.106	50	20	DDGD	
Cc1cc(OC(=O)[C@H]2CCc3nnn(C)c3C2)ccc1[N+](=O)[O-]	810534380	PIYIRNJNMMKWQV-JTQLQIEISA-N	316.317	1.742	50	20	DDGD	
CCc1c(C(=O)NNC(=O)C2CC2)nnn1Cc1ccccc1	817512379	BPJFQJBLHWSXHF-UHFFFAOYSA-N	313.361	1.060	50	20	DDGD	
Cn1c(=NNC(=O)[C@](C)(O)C2CCC2)sc2ccccc21	813404372	WNKWJUIMUWMUNS-OAHLLOKOSA-N	305.403	1.723	50	20	DDGD	
COc1cc2c(cc1OC)CN(CC(=O)NN(C)C1CC1)CC2	819649786	XLAKJFXMJWYGAW-UHFFFAOYSA-N	319.405	1.187	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1ccccc1CC(=O)OC	819657270	BAHRPJMXNIIDML-SDNWHVSQSA-N	302.330	1.462	50	20	DDGD	
Cn1ncc2ccc(CNC(=O)NNC(=O)C3CCCC3)cc21	812906225	WQYDEZVQGANGMR-UHFFFAOYSA-N	315.377	1.594	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1csc(C)n1	812440573	DSKXHEVHMIJBGM-JTQLQIEISA-N	310.423	1.260	50	20	DDGD	
CN(C)c1ccncc1C=NNC(=O)COc1ccccc1O	814951881	AMCLAZVCMUDFCP-UHFFFAOYSA-N	314.345	1.382	50	20	DDGD	
Cc1nnc(NNC(=O)c2cc(O)c3ccccc3c2)nc1O	810006309	ISGFEVYCCHAUAO-UHFFFAOYSA-N	311.301	1.501	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)C1CCN(C)CC1	814898209	KZYRGIOENUVAEG-UHFFFAOYSA-N	312.414	1.345	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	823899537	XRAMWRDXXNCODU-JTQLQIEISA-N	302.338	1.291	50	20	DDGD	
Cc1ccc(-c2nc(C(=O)NN(C)[C@H](C)CO)cs2)n1C	823939218	GYEBNAMQTHQVGG-SNVBAGLBSA-N	308.407	1.414	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H](C)CN2CCOCC2)ccc1F	729142901	FTGZEMSQJBOROC-CYBMUJFWSA-N	307.369	1.553	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2ccccc2)CC2(CCC2)O1	825583664	QZGXRJPTLHQCRJ-LBPRGKRZSA-N	303.362	1.684	50	20	DDGD	
CC1(C)C[C@](C)(NC(=O)/C(C#N)=C/c2ccc(O)cc2)C(=O)O1	491046954	HXTSXRRCHANANI-UEICXMAYSA-N	314.341	1.900	50	20	DDGD	
CCOC(=O)NNC(=O)Cn1cc(-c2ccccc2)c(C)n1	495960817	OEYZXTPZLXKOQQ-UHFFFAOYSA-N	302.334	1.636	50	20	DDGD	
C#CC[C@H](CO)NC(=O)/C(C#N)=C\c1cc(C)n(CCC)c1C	820060101	UJIRYTUMHSUBFK-LPPOOGIUSA-N	313.401	1.922	50	20	DDGD	
CCOC(=O)Nc1ccc(C(=O)NNc2cnccn2)cc1	491440754	OGVKMKOEOZDISF-UHFFFAOYSA-N	301.306	1.802	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](Cc1ccccc1)C(=O)OCC	490753067	ILDZOZMSOZREDR-OKFGHLOFSA-N	316.357	1.721	50	20	DDGD	
CC(C)N(CC(=O)NNC(=O)C(C)(C)C)C(=O)OC(C)(C)C	822253381	YRFOBGJFLSKMHQ-UHFFFAOYSA-N	315.414	1.825	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)Cc1ccccc1F	827315597	SDWCCHLDAKXCCB-PWSUYJOCSA-N	309.341	1.423	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C1C[C@@H](C)O[C@H]1C	496185167	ISGJHYIFTUKQCI-WOPDTQHZSA-N	323.393	1.573	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(C)(C(=O)NNc2ccnc(F)c2)C1	496273667	JYWKHPLWJAJTDF-UHFFFAOYSA-N	324.356	1.921	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2c3ccccc3CC[C@H]21)c1ccc(B(O)O)cc1	585008674	LRRNIEZNBKQMOW-KZNAEPCWSA-N	321.185	1.215	50	20	DDGD	
COc1cccc(CC(=O)NNC(=O)NCC2CC2)c1Cl	823804259	LUYBWRIKSGNCNJ-UHFFFAOYSA-N	311.769	1.632	50	20	DDGD	
Cc1ccc2c(c1)[C@@H](NCc1ccc(B(O)O)cc1F)[C@@H](C)C2	585034853	UPFQRXUQZWVRNV-SGTLLEGYSA-N	313.181	1.837	50	20	DDGD	
O=C(NN=CC[C@H]1CCOC1)c1cccc(-c2nn[nH]n2)c1	826444823	WASNXFMNYKICGR-JTQLQIEISA-N	300.322	1.009	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccccc1O[C@H]1CCOC1	494659186	NEBAYFFAKCBWQC-JTQLQIEISA-N	309.322	1.637	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cnc(NC2CC2)s1	900001019	CIWHFDBFELBKMN-UHFFFAOYSA-N	313.452	1.625	50	20	DDGD	
CCCCC[C@@H](O)CC(=O)NNc1cccc(-c2nn[nH]n2)c1	825267227	JXJMKEUAAPZQKB-CYBMUJFWSA-N	318.381	1.641	50	20	DDGD	
CCOc1ccc(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	825942658	HPHVVVBUIJYIIB-FZMZJTMJSA-N	321.377	1.341	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cccnc1S	826446862	BQYWEEUYMCVINS-UHFFFAOYSA-N	313.346	1.307	50	20	DDGD	
CC(C)(C)OC(=O)N(CCC(=O)NNc1ncccn1)C1CC1	496742173	QRCOYGAIKMODCX-UHFFFAOYSA-N	321.381	1.709	50	20	DDGD	
Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2ccc(B(O)O)cc2)C1	584950169	PXZIPFNTUZPKHX-ZBFHGGJFSA-N	323.201	1.693	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1	496946990	FGIPQAYQKOQXLU-UHFFFAOYSA-N	306.244	1.557	50	20	DDGD	
C[C@@H](NCc1ccc(B(O)O)cc1)c1cccc(N2CCCC2)c1	585029253	XNMNAVQBUOOPFN-OAHLLOKOSA-N	324.233	1.817	50	20	DDGD	
C[C@H](Cc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCCCO1	833250810	MNSPHYKXXFBKTB-RISCZKNCSA-N	308.353	1.721	50	20	DDGD	
CCn1cc(C=NNC(=O)c2ccc3c(c2)OCCO3)c(C)n1	901166059	SWUFZROXPWBQLM-UHFFFAOYSA-N	314.345	1.747	50	20	DDGD	
CCS(=O)(=O)CC(C)=NNC(=O)Cc1ccc(Cl)cc1	733746671	XPEYGXDTIBECPE-UHFFFAOYSA-N	316.810	1.809	50	20	DDGD	
COC1CCN(CCNC(=O)[C@]2(C)C[C@H]2Br)CC1	906931582	ZWLDTBSIIXCCFA-DGCLKSJQSA-N	319.243	1.387	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)[C@@H]1CC(=O)N(C2CCCC2)C1	837207848	UNPJOVZIXRBPSF-SECBINFHSA-N	324.331	1.594	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)C1CCC1)N1C[C@H](C)O[C@H](C)C1	732142246	SOVLWMPBMRPRQE-MBNYWOFBSA-N	311.426	1.068	50	20	DDGD	
CC(C)(C)c1ccc(CCC(=O)NNC(=O)c2ncon2)cc1	832825599	AYGVIRHSJSJCKN-UHFFFAOYSA-N	316.361	1.761	50	20	DDGD	
CN(CCCNCc1cccc(B(O)O)c1)c1ccc(F)cc1	585017293	SRGHZWLLMLURHP-UHFFFAOYSA-N	316.185	1.122	50	20	DDGD	
O=C(NNc1cccc(F)n1)N[C@@H]1C[C@@H]2CCCCN2C1=O	836692111	OIPUCVGLTBFBNF-VHSXEESVSA-N	307.329	1.000	50	20	DDGD	
C[C@@H]1CCCN(C(C)(C)CNCc2ccc(B(O)O)cc2F)C1	585018806	SWYNQVQISJPMCI-CYBMUJFWSA-N	322.233	1.106	50	20	DDGD	
CS[C@H]1CCCC(=NNC(=O)[C@H]2CCS(=O)(=O)C2)C1	901164585	RTIYLOBRMMXKEO-ONGXEEELSA-N	304.437	1.199	50	20	DDGD	
CCCCCn1nc(C)cc1NC(=O)c1ccc(B(O)O)cc1	584961900	ZFSSZBWJTYWZHJ-UHFFFAOYSA-N	315.182	1.314	50	20	DDGD	
O=C(O)c1cccc(C(=O)NNc2ncnc3ccsc23)n1	833328477	PHXTZNAJJZIMOO-UHFFFAOYSA-N	315.314	1.541	50	20	DDGD	
CN1C(=O)CC[C@@H]1CC(=O)NNc1cc(F)c(F)cc1F	830821897	ZVVCFFGTZIFBBJ-SSDOTTSWSA-N	301.268	1.558	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)OCC2CC2)cc(-c2nn[nH]n2)n1C	737212160	IBSUBOBBMUQHRS-XGICHPGQSA-N	312.333	1.374	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNC(=O)COc1ccccc1CC	839459095	GNPIVPOECADFGM-ZDUSSCGKSA-N	308.378	1.590	50	20	DDGD	
CON1CCC(=NNC(=O)COc2ccccc2C#N)CC1	834928188	UQNPIRRATLFTGW-UHFFFAOYSA-N	302.334	1.066	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)NCCc1cccc(C(=O)O)c1	833481664	XBUHGFSNEYLVGO-UHFFFAOYSA-N	321.377	1.694	50	20	DDGD	
NC(=O)NNC(=S)Nc1ccc(OC(F)F)c(Cl)c1	735621278	FMGPSUAQCYBWNK-UHFFFAOYSA-N	310.713	1.811	50	20	DDGD	
O=C(C[C@H]1CCS(=O)(=O)C1)NNc1c(F)cccc1F	735692893	RFBFMNXQXLSFDH-MRVPVSSYSA-N	304.318	1.233	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2(C#N)CC(C)C2)c(F)c1	837207738	RLYYHMOQCKQGTK-UHFFFAOYSA-N	305.309	1.995	50	20	DDGD	
O=S(=O)(CCl)N1CCC([C@@H](O)c2ccccc2)CC1	830598975	CWMNONPSXPRWHF-ZDUSSCGKSA-N	303.811	1.958	50	20	DDGD	
CONC(=O)C1CCN(C(=O)[C@]2(C)C[C@H]2Br)CC1	913791985	HFSQQSFWMDJVGQ-BXKDBHETSA-N	319.199	1.076	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccccc1Oc1cccnc1	910168696	QDXPNRHJCYXRSM-LBPRGKRZSA-N	301.346	1.831	50	20	DDGD	
CC[C@@H](C)n1ncc(NC(=O)NNC(=O)[C@@H]2CCCCO2)c1C	836557311	PDQVGACPKMFXCJ-MFKMUULPSA-N	323.397	1.884	50	20	DDGD	
C[C@@]1(C(=O)N2CCc3cnc(N)nc3C2)C[C@H]1Br	912470982	WWEGBHWUQBNHFX-BXKDBHETSA-N	311.183	1.117	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1c(F)cc(Br)cc1F	910165065	FHOVELFDGGQRQG-ZCFIWIBFSA-N	323.137	1.685	50	20	DDGD	
Cc1n[nH]c(C)c1C=NNC(=O)Nc1ccc(C(=O)O)cc1	743443244	DISUUZCOMWTDAJ-UHFFFAOYSA-N	301.306	1.880	50	20	DDGD	
Cc1cc(C)n([C@H](C)CC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n1	843640997	AXAJMRFQYFFVSV-UPJWGTAASA-N	308.382	1.023	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@@H]2CO[C@@H](C)C2)cc1	845282047	LUNKMZDRGGGMOW-GWCFXTLKSA-N	307.350	1.206	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN(Cc2ccccc2)C1)NC1CC1	847390705	JYSSFCQORSDLQP-ZDUSSCGKSA-N	302.378	1.001	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CCO[C@@H]2C)ccc1[N+](=O)[O-]	842562361	PMFSKANSKPXLRJ-KOLCDFICSA-N	307.306	1.479	50	20	DDGD	
CCC[C@@H](C(=O)OCC)S(=O)(=O)NCCCSC#N	916999258	FALUITVBZGSVPL-JTQLQIEISA-N	308.425	1.242	50	20	DDGD	
CC(C)Nc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cn1	843970717	KDIHJOMDAQLFQH-JQWIXIFHSA-N	306.366	1.088	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@]1(C(=O)OC(C)(C)C)CC=CCC1	846123193	UQSPWZKTHBBPCC-HNNXBMFYSA-N	312.366	1.784	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2Cc3ccccc3S2)n1	746634846	QMLQIZDLQYROFO-GFCCVEGCSA-N	316.386	1.954	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(SC)cc1	740850846	CASOSSOXUSCSRY-UHFFFAOYSA-N	323.418	1.474	50	20	DDGD	
Cc1ccc(Br)cc1C(=O)NN(C)C[C@H](C)O	910164455	ZQPZFBMSCLDWCB-VIFPVBQESA-N	301.184	1.715	50	20	DDGD	
Cc1nc2cc(F)cc(C(=O)NN(C)C[C@H](C)O)c2nc1C	910169839	GYCRULFYTZPRGS-QMMMGPOBSA-N	306.341	1.343	50	20	DDGD	
COc1ccc(O)c(C=NNC(=O)c2ccc3c(c2)OCO3)c1	916289326	NYWDJZUFYKXDCP-UHFFFAOYSA-N	314.297	1.893	50	20	DDGD	
CCn1cc(Br)cc1C(=O)NN(C)C[C@H](C)O	910163297	ASIHWENCRZAOLR-QMMMGPOBSA-N	304.188	1.228	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)[C@@H]1CC12CCCC2	747344764	HSKDFASMFOHZNA-NSHDSACASA-N	306.337	1.932	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H](C)CN2CCOCC2)c(C)c1	916364554	PEDQOXQUNCLDNJ-OAHLLOKOSA-N	303.406	1.722	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1	910176854	FMIFBFOZJFZLEH-NSHDSACASA-N	323.393	1.991	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCCc2ccc(F)cc2)cn1	846878630	ITGMEHJQULPYIM-UHFFFAOYSA-N	304.325	1.343	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCC(=O)[C@H](C)C1(C)C	843972639	VMRHPZZVMMOUDX-FIQHERPVSA-N	310.394	1.200	50	20	DDGD	
Cc1sc(C(=O)NN(C)C[C@@H](C)O)cc1Br	910147909	WFARFDDNISFRSB-ZCFIWIBFSA-N	307.213	1.776	50	20	DDGD	
COC[C@@H](C)OC(=O)/C(C#N)=C\c1ccccc1OCC(=O)O	915843168	WOVWPJOBKZRRDE-NUBYWOLOSA-N	319.313	1.635	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CNc2ccc(C#N)cc2)n1	746634872	RZTZUDVHCALSHX-UHFFFAOYSA-N	312.333	1.221	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1ccc(N2CCCC2)nc1	842551157	CDLBIAIFDSDCCC-OCCSQVGLSA-N	302.378	1.557	50	20	DDGD	
O=C(NC[C@H]1COc2ccccc2C1)NNC(=O)C1CCCC1	916197856	XOJDIONYBBBHPU-LBPRGKRZSA-N	317.389	1.758	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1	743357136	ZGTGFNLEGOOYIF-NXEZZACHSA-N	319.258	1.964	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCn1ccc2ccccc21	843978180	WJSFCWRZFTZECC-OCCSQVGLSA-N	315.373	1.604	50	20	DDGD	
CO[C@@H](C=NNC(=O)CCN1CCCCCC1)[C@H]1CCOC1	841610989	NYSBSRGQJUXQKR-GJZGRUSLSA-N	311.426	1.406	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H](C)N	842001662	ATWBLZWIZOVZBU-MILGBXPPSA-N	308.426	1.269	50	20	DDGD	
O=C(NN=C1CCCC[C@H]1N1CCCCC1)C(=O)N1CCCC1	748787108	ZUAKWBAQLOWFRC-OAHLLOKOSA-N	320.437	1.510	50	20	DDGD	
O=C1Nc2ccc(Cl)cc2C1=NNC(=O)N1CCOCC1	745602733	NQZWNJOYMBNDRL-UHFFFAOYSA-N	308.725	1.038	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ncccc1C(F)(F)F	843663092	VJMDRBWXCPHCMP-JGVFFNPUSA-N	317.267	1.286	50	20	DDGD	
CC(C)[C@H](NC(=O)NNC(=O)CC(C)(C)C)c1cnn(C)c1	927412176	DUTBWJZTESQXKS-ZDUSSCGKSA-N	309.414	1.884	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCCC[C@H]2F)cc1	840442363	XOVZZOFVZBPRAH-CHWSQXEVSA-N	304.325	1.783	50	20	DDGD	
C[C@H](CCCN)NC(=O)NNC(=O)c1cccc2ccccc12	841999680	NSFNTYRPBPBLSX-GFCCVEGCSA-N	314.389	1.911	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1cc(F)cc([N+](=O)[O-])c1	757418837	ADVPIPQGZCWIDK-UHFFFAOYSA-N	310.672	1.961	50	20	DDGD	
CCOCCOCCNC(=O)NC[C@]1(C)C[C@H]1Br	923371607	CDDLGWHVBAUXKT-PWSUYJOCSA-N	323.231	1.512	50	20	DDGD	
CCc1ccc(S(C)(=O)=O)cc1C(=O)NNC(=O)C(C)C	758091451	XXVMYHJUUGYUSH-UHFFFAOYSA-N	312.391	1.070	50	20	DDGD	
CCn1ncc(Cl)c1C(=O)NNC(=O)NCC(F)(F)F	857719141	XKGLIKOOAVDAJT-UHFFFAOYSA-N	313.667	1.063	50	20	DDGD	
COc1ccccc1C=NNC(=O)CNC(=O)c1cccs1	750945971	VKQYCKDNOUQFRL-UHFFFAOYSA-N	317.370	1.637	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cnc3n2CCC3)cc1OC	853259530	HTYFYJNZHZHFFF-UHFFFAOYSA-N	314.345	1.610	50	20	DDGD	
CCC(=O)N1CCC[C@H](C(=O)NNc2ncc(Cl)cn2)C1	857355663	IDAOLAOKLSGMEU-VIFPVBQESA-N	311.773	1.222	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H]1C[C@H]1OC(C)(C)C	854285668	PLLVAQXOEJGVTL-GHMZBOCLSA-N	317.455	1.064	50	20	DDGD	
O=C(CSc1ccncc1)NNC(=S)NCC1CCC1	855093445	RXHXVDURLWOYJW-UHFFFAOYSA-N	310.448	1.469	50	20	DDGD	
CCc1noc(CC)c1CNC(=O)NNC(=O)C1CCCC1	756079779	XMDUVTHFVXZFQI-UHFFFAOYSA-N	308.382	1.820	50	20	DDGD	
CCS(=O)(=O)N[C@H](C)C(=O)NNc1cc(F)cc(Cl)c1	855619864	GDWKOESNCFBXFD-SSDOTTSWSA-N	323.777	1.250	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2cnc3n2CCC3)cc1	853264751	PRCBLCAYJBYUFC-UHFFFAOYSA-N	314.345	1.367	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)O1	756901182	IZNBGDYJLHNOHL-PWSUYJOCSA-N	306.318	1.134	50	20	DDGD	
Cn1nc(C2CC2)cc1CNC(=O)NNc1cncc(Cl)n1	927608563	LDMFCUHOZJUIIB-UHFFFAOYSA-N	321.772	1.567	50	20	DDGD	
CCc1ccc(C(=O)NN=Cc2nnn(C(C)(C)C)n2)cc1	853274071	YTZMHEIUTYBYBP-UHFFFAOYSA-N	300.366	1.754	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@]1(C)CC(c2ccccc2)=NO1	856985567	GYQFZPUUIGVOEV-INIZCTEOSA-N	303.362	1.763	50	20	DDGD	
Cc1nc(C(C)C)nc(O)c1C(=O)NNC(=O)CC(F)(F)F	855000151	CALAKVGBXUSVEO-UHFFFAOYSA-N	320.271	1.327	50	20	DDGD	
C[C@H](C(=O)NNc1cnnn1C)c1ccc([N+](=O)[O-])cc1F	857272878	JHWAUOXRXHAUAC-ZETCQYMHSA-N	308.273	1.109	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Cc1cc(C)cc(C)c1	854388731	VQIUCFAYAUZSQT-UHFFFAOYSA-N	322.405	1.783	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c1C	854212575	PJRRDMLPOYPLMI-HONMWMINSA-N	319.361	1.728	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1CCCC[C@@H]1SCC	750677171	WAAAYCBSVNFSNY-MNOVXSKESA-N	303.428	1.418	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@H](C)c1ccccc1C	935196932	YDZZTFQPIMWSCG-LLVKDONJSA-N	311.476	1.957	50	20	DDGD	
CC(=NNC(=O)c1cc(C)[nH]n1)c1cnn(-c2ccccn2)c1C	764793385	MTZVSLOYBLHYJP-UHFFFAOYSA-N	323.360	1.761	50	20	DDGD	
CCCCNC(=O)NNC(=O)C[C@H]1CC(=O)Nc2ccccc21	930716089	CFFXGNOXGANGKQ-LLVKDONJSA-N	318.377	1.633	50	20	DDGD	
Cn1ccc(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)c1	763387914	IRHNHLZKKYCKHS-UHFFFAOYSA-N	309.329	1.286	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)COc2cc(C)on2)n1	762907623	RUJUALVQTRROJG-UHFFFAOYSA-N	320.353	1.141	50	20	DDGD	
CNC(=O)[C@H](C)CN(C)C(=O)[C@H](Br)C(C)(C)C	768222952	IGCUOPMCTMAHQY-BDAKNGLRSA-N	307.232	1.637	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1c(C)oc2ccccc12	767249024	PUKGRXKAHWBQHX-UHFFFAOYSA-N	303.387	1.965	50	20	DDGD	
Cc1cc(=NNC(=O)Nc2cc(C(F)(F)F)nn2C)cc[nH]1	861216005	CHFDRAYFVXCVAC-UHFFFAOYSA-N	314.271	1.713	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(Cc1ccoc1)C1CC1	934001928	LRDMRFBSVUSTDV-GFCCVEGCSA-N	307.394	1.826	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)C[C@H](C)OC	762361647	PWLFKHMSMAVCAP-JTQLQIEISA-N	312.391	1.360	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)C(=O)NNCC(F)(F)C(F)(F)F	863102253	XZWZAUFOMJFCRK-SSDOTTSWSA-N	314.258	1.417	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cccc(CC(F)(F)F)c1	763440561	ISIHKBZUNIMKIC-UHFFFAOYSA-N	317.267	1.287	50	20	DDGD	
O=C(NN=Cc1cnc(C2CC2)o1)[C@H]1COc2ccccc2O1	863066916	ZQPHPRJMNGBDIG-CQSZACIVSA-N	313.313	1.842	50	20	DDGD	
CCn1cc(C(=O)NNc2ccc(CC(=O)OC)cc2)c(C)n1	862122439	HAQZRTRVAGWUBU-UHFFFAOYSA-N	316.361	1.684	50	20	DDGD	
CSCCNC(=O)NNC(=O)CSc1ccccc1O	763460254	FYAYSPPGEGQWGQ-UHFFFAOYSA-N	315.420	1.178	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H](O)[C@H](C)c2ccccc2F)n1	864822491	AZWIWKJLMZDOJV-NOZJJQNGSA-N	320.324	1.232	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=C2CCSc3ccc(F)cc32)N1	863146381	QURJCWIXUCKJFT-NSHDSACASA-N	307.350	1.420	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(C(=O)NC)cc1C	1119679799	FBOCYPFUDXYTAX-UHFFFAOYSA-N	316.361	1.311	50	20	DDGD	
CCC(=O)NN[C@H](C(N)=O)c1cccc(Br)c1	763377805	ZRLHOJDUQYVDAO-JTQLQIEISA-N	300.156	1.006	50	20	DDGD	
CC[C@@H](C(=O)NNc1nncc(N)c1Cl)N(CC)CC	1116298324	VZMLNJNLWWJDTJ-VIFPVBQESA-N	300.794	1.276	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NO[C@H]2CCCCO2)nn1	1116866055	VGYURTQVWUUPGL-LBPRGKRZSA-N	309.370	1.858	50	20	DDGD	
Cc1ncc([C@@H](C)NC(=O)NNC(=O)CC(F)(F)F)s1	876014222	HIDRFICQXCRVCU-RXMQYKEDSA-N	310.301	1.795	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](C)c1nccn1-c1ccccc1	875582921	GTVMTCSOCBGDAH-NSHDSACASA-N	317.349	1.846	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cc(C)nc(C)n1	873872091	MEOXTHCZZUGPDB-UHFFFAOYSA-N	300.409	1.159	50	20	DDGD	
Cc1ccc(C(=O)NNc2nncc(N)c2Cl)cc1[N+](=O)[O-]	1116297243	KBSZHWFNKXWGLZ-UHFFFAOYSA-N	322.712	1.686	50	20	DDGD	
CC(C)(O)CCNC(=O)NNC(=O)Cc1c[nH]c2ccccc12	776260203	VPTVKAYGOCTTQF-UHFFFAOYSA-N	318.377	1.202	50	20	DDGD	
O=C(NNC(=O)C1(O)CCOCC1)c1cccc2ccccc12	773130604	HTZVTDLBNYABGZ-UHFFFAOYSA-N	314.341	1.142	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@@H]2CC23CCC3)c1	872794067	IDORUNKMZLBVRO-CYBMUJFWSA-N	303.362	1.647	50	20	DDGD	
COc1cccnc1CC(=O)NNC(=O)c1ccccc1F	773708411	ZPJLLDXWBUUKBK-UHFFFAOYSA-N	303.293	1.233	50	20	DDGD	
COC(=O)N(C)CCNC(=O)NNc1cccc(F)c1Cl	875743964	WDDRDPKMGMSMQB-UHFFFAOYSA-N	318.736	1.803	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccccc1O[C@@H]1CCOC1	878930047	XREZNRFYRDUEGO-SNVBAGLBSA-N	309.322	1.589	50	20	DDGD	
O=C(CC1CCOCC1)NNC(=O)c1nc2ccccc2s1	874913992	YCZIQHNKWLICSM-UHFFFAOYSA-N	319.386	1.874	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@]1(C)OCCc2sccc21	875595642	CKPMRZYNVCCHHO-CYBMUJFWSA-N	313.379	1.448	50	20	DDGD	
CCc1nn(C)c(CC)c1CNC(=O)NN=c1cc[nH]c(C)c1	875425444	YLTBOQGPMKJAAS-UHFFFAOYSA-N	316.409	1.497	50	20	DDGD	
CCc1c(NCc2ccc(B(O)O)cc2)cnn1CC(C)C	877122379	RUUBXTVAQZZSLE-UHFFFAOYSA-N	301.199	1.393	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)Cc2cncn2C)cc1C	873762764	BFZGAJFBAGYMLT-UHFFFAOYSA-N	317.418	1.597	50	20	DDGD	
O=C(NNc1ccc(F)cn1)[C@@H]1CC(=O)N(Cc2ccco2)C1	874651507	PDIJTRDXUKTRNI-SNVBAGLBSA-N	318.308	1.306	50	20	DDGD	
C[C@@](O)(CC(=O)NNc1ccnc(Br)c1)C1CC1	771535802	WPVZMDYCOKTVGX-GFCCVEGCSA-N	314.183	1.838	50	20	DDGD	
COc1ccc(SCC(=O)NNC(=O)C2CCOCC2)cc1	883059729	JKHVRGBLXJRFQF-UHFFFAOYSA-N	324.402	1.361	50	20	DDGD	
Cc1cc(NNC(=O)c2cccnc2Br)ncn1	775604484	MJPXKCYVOPAYQK-UHFFFAOYSA-N	308.139	1.699	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)Cc1ccccc1O	777772686	IUOCQVIXIVVGSU-UHFFFAOYSA-N	300.314	1.865	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cn1ccc2ccc(F)cc21	887150703	UTGFBZNBMZJOGD-UHFFFAOYSA-N	301.321	1.731	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(F)cc1F	771891522	NGJDNNAWVWKHNP-ZETCQYMHSA-N	300.261	1.068	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@H]1CCN2CCC[C@@H]2C1	884957476	QZGUTTCXAQTBCY-NWDGAFQWSA-N	308.875	1.798	50	20	DDGD	
COc1ccc(C=NNC(=O)C(C)(C)O)cc1Br	785465516	HFJZKUBZMVLKRA-UHFFFAOYSA-N	315.167	1.679	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)C1=NN(c2ccccc2)C(=O)CC1	780757658	VKHNGLKVGQIMSQ-UHFFFAOYSA-N	309.329	1.130	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)Cc1cncs1	783692151	TUKGCOGNEVANCB-UHFFFAOYSA-N	323.399	1.331	50	20	DDGD	
COc1cc(C(=O)NNC(=O)Cc2ccccc2F)ccc1O	785411782	TVIJCZWZYHWSQS-UHFFFAOYSA-N	318.304	1.544	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)C(=O)Nc2ccc(C)nc2O)c1	783362008	IBUHLGAPGWFNOI-UHFFFAOYSA-N	314.345	1.794	50	20	DDGD	
Cc1nn(C)c(NC(=O)C(=O)NNc2ccccc2Cl)c1C	784777864	ZNSZAZREULINHG-UHFFFAOYSA-N	321.768	1.772	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC[C@H](C)C#N)cc1C	781944410	MPNALLNGALZQQY-SNVBAGLBSA-N	304.350	1.172	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCOC2(CCC2)C1)c1ccccc1O	895521197	BFUYBDOZDKMBIY-NSHDSACASA-N	304.346	1.503	50	20	DDGD	
CCOCCC1(CNS(=O)(=O)CBr)CC1	782473886	XEAWXXAHYCBVTI-UHFFFAOYSA-N	300.218	1.465	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H]2CO[C@H](C)C2)c1	784146714	VHDIQDWZAOOGSA-OLZOCXBDSA-N	306.362	1.255	50	20	DDGD	
CN(C(=O)COC(=O)/C(C#N)=C/c1ccccc1)C(C)(C)C#N	785363560	CHQJGTMSFRPLCC-NTEUORMPSA-N	311.341	1.897	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(Cl)c1)[C@H](C)S(C)(=O)=O	788273870	IFPMATADDQCGST-BDAKNGLRSA-N	304.799	1.852	50	20	DDGD	
COC(=O)C[C@H]1CCC(=NNC(=O)Cc2ccncc2)[C@H]1C	794515230	YZYOXRYNVDSEOX-WCQYABFASA-N	303.362	1.706	50	20	DDGD	
C[C@@H]1CCC[C@@H]1CNC(=O)NNC(=O)COc1ccc(F)cc1	798510652	ADBFFRSQEQWRIW-VXGBXAGGSA-N	323.368	1.971	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCc2cn3ccccc3n2)n1	792794752	MGZKCIAKAAHQMW-UHFFFAOYSA-N	324.344	1.182	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1c(C)cc(C)cc1O	799881243	JGZYFARZJKJHSW-CYBMUJFWSA-N	308.378	1.901	50	20	DDGD	
O=C(CO)NNC(=O)c1ccc2nc(-c3ccccc3)oc2c1	795238098	HUHLAIGLUKBONO-UHFFFAOYSA-N	311.297	1.248	50	20	DDGD	
C[C@H]1CCC[C@@H]1CNC(=O)NNC(=O)COCc1ccccc1	798512512	LJPWTGNRWVKJNR-DZGCQCFKSA-N	319.405	1.970	50	20	DDGD	
O=C(CO[C@@H]1CCOC1)NNc1ncccc1C(F)(F)F	1319054289	HHSZQTIHWFSVRZ-MRVPVSSYSA-N	305.256	1.349	50	20	DDGD	
CCc1cc(C(=O)NNc2oc(C(C)C)nc2C#N)nn1C	1319986152	DYMPCJMAEZIGBP-UHFFFAOYSA-N	302.338	1.722	50	20	DDGD	
CC(C)C1CCC(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)CC1	1328130351	CMQQAVOCZOYPNK-ABXWRUBCSA-N	311.426	1.957	50	20	DDGD	
O=C(NN=C1COc2cc(O)ccc21)c1n[nH]c2c1CCCC2	1321691867	PSEQMCRWSNYSBW-UHFFFAOYSA-N	312.329	1.521	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCN(C(C)(C)C)CC2)n1	1324985638	VXQPVPZLIBGLSN-UHFFFAOYSA-N	319.409	1.161	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCC2CCOCC2)c1	1329174055	RZVITSGXHIEFNW-UHFFFAOYSA-N	311.407	1.817	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)c2n[nH]c3c2CCCC3)[C@H]1SC	1324051110	NTALABMDJXZXFI-TZMCWYRMSA-N	322.434	1.915	50	20	DDGD	
CSc1ccc(O)c(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	1328342766	OWEMEZAOCHNMES-PSASIEDQSA-N	310.375	1.300	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccccc2O)ccc2cncn12	1254256068	UABICRNMOULQCW-UHFFFAOYSA-N	310.313	1.423	50	20	DDGD	
CCCn1cc(C(=O)NNc2nc(C)cc(OC)n2)c(C)n1	1338888351	MDFXGBZCRHJFOC-UHFFFAOYSA-N	304.354	1.465	50	20	DDGD	
COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NNc2ccn(C)n2)c1	1331514725	WUXJKLVDKMZAQE-AAEUAGOBSA-N	316.361	1.684	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCc1ccc(O)cc1	1261454055	XEAYYRIIXXSROV-FZMZJTMJSA-N	321.377	1.080	50	20	DDGD	
O=C(NC[C@@H]1C[C@H]1c1ccccc1)NNC(=O)C1CCNCC1	1345781667	YDQFFWDNURTBIB-GJZGRUSLSA-N	316.405	1.120	50	20	DDGD	
CC[C@H](C)n1nccc1C(=O)NNC(=S)N[C@@H](C)C1CC1	1347808010	DFCRDLDFUCSVIC-UWVGGRQHSA-N	309.439	1.762	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc(C(C)(C)C)nn1	1345792312	RQWVXCTVDIBQAT-UWVGGRQHSA-N	321.381	1.352	50	20	DDGD	
CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)c2cccc(CCl)c2)O1	1358101193	NYEZJIHXYBUKCL-KBPBESRZSA-N	324.808	1.791	50	20	DDGD	
NS(=O)(=O)C[C@H]1CCCN(C(=O)C2CCC(Cl)CC2)C1	1521458760	LIJLKWCOBRJMAV-UNXYVOJBSA-N	322.858	1.311	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)cc1F)N[C@@H]1CCCOCC1	1601557284	UOSRHTRYPJQLBL-SNVBAGLBSA-N	311.313	1.719	50	20	DDGD	
O=C(Cc1ccc2c(c1)OCO2)NNc1ccc(C(=O)O)cn1	1608364488	JAORBPCPSVASAY-UHFFFAOYSA-N	315.285	1.194	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)C(=O)NNc1cccc(C(=O)O)c1	1600768420	DGDVXARJFMEPAE-UHFFFAOYSA-N	316.317	1.061	50	20	DDGD	
C=CCN(C)C(=O)/C(C#N)=C\c1cc(-c2nn[nH]n2)n(C)c1C	1602846934	CMBIYDIGMZJNTF-GHXNOFRVSA-N	311.349	1.065	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)Cc1ccccc1O	1607139908	FOPDYIGLFWIDKA-UHFFFAOYSA-N	316.313	1.785	50	20	DDGD	
COc1ccccc1NNC(=O)Nc1cccc(CC(=O)O)n1	1607347104	WPESNZIUQYYCTI-UHFFFAOYSA-N	316.317	1.866	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cc(C(=O)O)cs1	1605017899	PZDMHRHMPZTQHY-UHFFFAOYSA-N	311.363	1.201	50	20	DDGD	
COc1cc(NNC(=O)[C@@](C)(OC)C(=O)O)ccc1Cl	1604731586	ISPTZADLHICBOF-GFCCVEGCSA-N	302.714	1.281	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@H](C(=O)O)C(C)C)cc1C	1603814106	COXQGGFCXATUKR-CYBMUJFWSA-N	322.361	1.972	50	20	DDGD	
O=C(O)C(=O)NN=C1CCC2(CC1)C(=O)Nc1ccccc12	1601637715	IYZRLKKAEAJPJA-UHFFFAOYSA-N	301.302	1.007	50	20	DDGD	
O=C(O)[C@H]1CCCN1Cc1cn(/C=C/CBr)nn1	1605998863	OTKPUFXRMIQKNL-GCEAOBNSSA-N	315.171	1.193	50	20	DDGD	
Cc1ccccc1NNC(=O)COc1ccccc1-c1nn[nH]n1	1605942775	JYTHEZYHBXZIBU-UHFFFAOYSA-N	324.344	1.697	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@@H]1F)[C@H](F)Cl	1801495582	DZTCOUHYTJDKAS-XRZDUACRSA-N	306.740	1.517	50	20	DDGD	
COCC(=O)N1CCCC2(CCN(C(=O)[C@H](F)Cl)CC2)C1	1809192690	UNUKNKFMUXPHDI-LBPRGKRZSA-N	320.792	1.398	50	20	DDGD	
Nc1cc(Cl)ccc1C(=O)NNc1ncccc1C(=O)O	1574507157	OULLFBUSWLVBQC-UHFFFAOYSA-N	306.709	1.772	50	20	DDGD	
C[C@@H]1CCc2c(C(=O)NNC(=O)[C@@H]3CCCNC3)csc2C1	1576759572	YMLJZWJWTVDPLI-GHMZBOCLSA-N	321.446	1.634	50	20	DDGD	
C=C(CBr)CN1CC[C@@H](C(=O)O)C[C@@H]1C(=O)OC	1588605711	OFCDFBVRXNBFSX-NXEZZACHSA-N	320.183	1.276	50	20	DDGD	
C[C@]1(C(=O)N2CC3(CCCN3C(=O)[C@@H](F)Cl)C2)CC1(F)F	1843367679	VTTGLKUJJVCUCL-LDYMZIIASA-N	324.730	1.770	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H]1C[C@H]1F)C2	1841668772	ABDHPIRDABXBGO-QJPTWQEYSA-N	316.804	1.955	50	20	DDGD	
CO[C@@H]1CCN(C[C@@H](CBr)C2CC2)[C@H](C(=O)O)C1	1599125731	RRDLJOSZKHSUER-UTUOFQBUSA-N	320.227	1.972	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)C1CCC(F)(F)CC1	1593165108	UUJOCIHTYKLDID-UHFFFAOYSA-N	323.307	1.530	50	20	DDGD	
COc1cc(S(=O)(=O)N2CC=C(C#N)CC2)ccc1C(=O)O	1599458248	BCJMFAWWXZIEHQ-UHFFFAOYSA-N	322.342	1.238	50	20	DDGD	
O=C(NNc1cccc(Br)c1)[C@]1(O)CCSC1	158907681	UXTGPZCJAGIFDQ-NSHDSACASA-N	317.208	1.760	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)n1	164092733	OURHANCVNUHBLV-UHFFFAOYSA-N	303.278	1.464	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2cc(C)n[nH]2)[nH]c(C)c1C(C)=O	151154519	CKJUVIDKRUHILP-UHFFFAOYSA-N	317.349	1.194	50	20	DDGD	
C[C@@H]1OCCN(C(=O)NNC(=O)c2cc3ccccc3o2)[C@H]1C	151271331	FBIYJOJZSCEIRI-QWRGUYRKSA-N	317.345	1.896	50	20	DDGD	
Cc1ccc(C)c(-c2cc(C(=O)NNC(=O)CN(C)C)[nH]n2)c1	151146506	IUSZCPXKKFHTMZ-UHFFFAOYSA-N	315.377	1.016	50	20	DDGD	
Cn1ccnc(NNC(=O)[C@@H]2CCCc3sccc32)c1=O	157263499	DWASEVHAYJCGSX-SNVBAGLBSA-N	304.375	1.405	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)OC(C)(C)C)CN1CCCCC1	57043965	VDELIJNJEWPXGJ-LBPRGKRZSA-N	314.430	1.847	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1cccc(C(N)=O)c1	103178324	HAQGTUUWRSWYHF-UHFFFAOYSA-N	306.366	1.052	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCC(=O)Nc1ccccc1	113628508	HTVKPHBAQWMEQG-UHFFFAOYSA-N	320.393	1.782	50	20	DDGD	
CC(C)CCNC(=O)NNC(=O)[C@H]1COc2ccccc2O1	54062235	FKOLOWHGCSFHRL-CYBMUJFWSA-N	307.350	1.203	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cc(Br)c[nH]1	119487419	DKWAJZBZXZAAIJ-UHFFFAOYSA-N	323.150	1.176	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1ccc(N2CCCC2)nn1	114895560	NJBGZQMWYMQJNG-UHFFFAOYSA-N	319.756	1.277	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc(Br)nc2)n1	174079329	MKRNAVXJPNJFFG-UHFFFAOYSA-N	324.138	1.400	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cccc(OC[C@H]2CCCO2)c1	29509488	SUVCYTHVQICVGW-CQSZACIVSA-N	304.346	1.415	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCc1cccs1	67455088	ANRUQHYPMLCIMX-UHFFFAOYSA-N	305.359	1.901	50	20	DDGD	
COc1ccc(C(C)=O)cc1CC(=O)NNc1ccn(C)n1	1344049619	QTCQAKJQXAURKM-UHFFFAOYSA-N	302.334	1.317	50	20	DDGD	
Cc1ccc(F)cc1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	68742346	AQVGIESRUJLCOT-LBPRGKRZSA-N	314.382	1.240	50	20	DDGD	
COc1ccc([N+](=O)[O-])c(C(=O)NNc2ccc(Cl)nn2)c1	118498077	APFFEWQPBMNCDK-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccccc1NC(=O)NC(C)C	63269864	NUUNAOJKDYZXHH-UHFFFAOYSA-N	321.381	1.569	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)CCOc2ccccc2)n[nH]1	129193046	BQOPLBJWXNAWPV-UHFFFAOYSA-N	316.361	1.763	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNc2ccc(Cl)cc2)c(=O)[nH]1	120073505	RDNJOLTXWZQBAZ-UHFFFAOYSA-N	306.753	1.726	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1cccc(-n2cccn2)n1	126577489	BFILIWMWWDNYJE-UHFFFAOYSA-N	313.361	1.609	50	20	DDGD	
Cn1ccc(NC(=O)C(=O)NNc2ccc(C(C)(C)C)cc2)n1	181439747	XETKZHPDABAABT-UHFFFAOYSA-N	315.377	1.799	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(F)c2)o1	129670420	GVHRRNWKKBHMKR-UHFFFAOYSA-N	305.265	1.127	50	20	DDGD	
CC[C@H](COC)NC(=O)NNC(=O)Cc1ccc(Cl)cc1	128983447	GNIJWXHFKQUIBT-GFCCVEGCSA-N	313.785	1.638	50	20	DDGD	
O=C(CCCNC(=O)c1ccccc1)NNc1ncc(F)cn1	123354434	GBNCNCDNIDTMTN-UHFFFAOYSA-N	317.324	1.269	50	20	DDGD	
CNC(=O)[C@H]1CCCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	185874548	HDHFHSLRLDKUAX-VSKPTYQZSA-N	313.357	1.426	50	20	DDGD	
CCc1ccccc1S(=O)(=O)NNC(=O)OC(C)(C)C	187171048	ZXTXAJKNRLVLOT-UHFFFAOYSA-N	300.380	1.967	50	20	DDGD	
C[S@](=O)Cc1cccc(C(=O)NNC(=O)OC(C)(C)C)c1	73693549	DDSHEOLROSMUIY-OAQYLSRUSA-N	312.391	1.735	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)C3(C#N)CCC3)[nH]n2)cc1	126482415	OESPNXXNALLJHB-UHFFFAOYSA-N	323.356	1.840	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccc(Oc2ccccc2)cc1	75653193	BKQXXRCJZIBBML-UHFFFAOYSA-N	313.357	1.802	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1cccc(-n2cccc2)c1	186980389	LZPZIEBYDXPHLY-UHFFFAOYSA-N	301.350	1.192	50	20	DDGD	
CCC[C@H](C)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1	75591467	JXVMGJIDHUHAHS-JTQLQIEISA-N	312.391	1.287	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)Nc2cccc(Cl)c2)nn1	133982100	BOAQIOGSPBRNMW-UHFFFAOYSA-N	306.713	1.378	50	20	DDGD	
CCN(C)C(=O)[C@H](C)NC(=O)NNc1cc(F)c(F)c(F)c1	187871375	YJSVFRBECNLHCP-ZETCQYMHSA-N	318.299	1.597	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNC(=O)[C@@H](CC)c1ccccc1	135010960	XMIABENLEIOCID-ZDUSSCGKSA-N	320.389	1.917	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	42901417	KPXNUQNAWWVLOG-CYBMUJFWSA-N	323.393	1.438	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNc2nccnc2OC)cc1	132070873	MWSZUJDXVZOFAG-LLVKDONJSA-N	316.361	1.816	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1cccnc1N1CCCC1	194428308	AFWYHGBQYGRHCT-UHFFFAOYSA-N	305.382	1.881	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)C[C@@H]2CCCOC2)c1	195043739	SYAGXSPYPLRVQY-LBPRGKRZSA-N	305.378	1.330	50	20	DDGD	
O=C(Cn1c(=O)cnc2ccccc21)NNc1ccc(F)cc1	45970952	SESSXGCGCNZMGB-UHFFFAOYSA-N	312.304	1.679	50	20	DDGD	
Cc1noc(C2CC2)c1NC(=O)C(=O)NNc1ccccc1	134752059	UANALVVZDGEVIZ-UHFFFAOYSA-N	300.318	1.942	50	20	DDGD	
COc1cc(C(=O)NNC(=O)NC2CC2)ccc1OCC(C)C	138674241	CZWWONZOFANEQX-UHFFFAOYSA-N	321.377	1.836	50	20	DDGD	
O=C(Cc1cc(F)ccc1F)NNc1nc2ccccn2n1	191893133	ODQNXAGWQTVBKE-UHFFFAOYSA-N	303.272	1.693	50	20	DDGD	
O=C(NNC(=O)c1c(Cl)nc2ccccn12)c1ccc[nH]1	97405856	OPAJNWIQXAPRMC-UHFFFAOYSA-N	303.709	1.391	50	20	DDGD	
CC(C)[C@H]1CC[C@H](C(=O)NNC(=O)C(=O)N2CCCC2)CC1	245505006	FMYGYAVCSJETCQ-JOCQHMNTSA-N	309.410	1.219	50	20	DDGD	
CCC[C@H](NNC(=O)COc1ccccc1F)C(=O)OCC	266475131	OSKLEFIRVGOLIJ-LBPRGKRZSA-N	312.341	1.557	50	20	DDGD	
CCC[C@H](NNC(=O)COc1ccc(C#N)cc1)C(=O)OCC	266439875	GHAUFXWLKNRFOW-AWEZNQCLSA-N	319.361	1.290	50	20	DDGD	
CC1CCC(=CC(=O)NNC(=O)C(=O)Nc2ccccn2)CC1	268255346	JWGBGYTWOWFBPQ-UHFFFAOYSA-N	316.361	1.304	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@@H](C)C(C)(C)C)cc1	265156420	DBZQQEXBWRKMBI-LLVKDONJSA-N	307.394	1.937	50	20	DDGD	
CSCC[C@@H](NC(N)=O)C(=O)NNc1cccc(F)c1F	266559884	PELNRMPKHLRZRX-SECBINFHSA-N	318.349	1.198	50	20	DDGD	
COc1ccnc(NNC(=O)C[C@H](C)NC(=O)C2CCCC2)n1	263913382	NJNSTASUQVDXEP-JTQLQIEISA-N	321.381	1.013	50	20	DDGD	
C[C@H]1Oc2c(cccc2C(=O)NNC(=O)C(C)(C)C)NC1=O	264275982	TTXUSWUXUGRNTN-MRVPVSSYSA-N	305.334	1.213	50	20	DDGD	
O=C(NCC1(c2ccccn2)CCC1)NNC(=O)c1ccc[nH]1	367919722	AWHDZJQAFFIYKS-UHFFFAOYSA-N	313.361	1.476	50	20	DDGD	
N#CC1=CCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CC1	270920949	IXLDSMTZTIFYQI-JTQLQIEISA-N	301.268	1.079	50	20	DDGD	
Cc1ccccc1[C@@H](O)CNS(=O)(=O)CBr	272816018	NZTWPNWRRHYDHD-JTQLQIEISA-N	308.197	1.300	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)[C@@H]1CCCCS1(=O)=O	274782359	JWRQNINKTOMPPN-ZDUSSCGKSA-N	319.386	1.645	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)[C@@H]1CCCCS1	272970077	NFUPENQATDFVEY-LBPRGKRZSA-N	312.366	1.638	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H]2CCO[C@@H](C)C2)c1	271963601	HEAZRRZELYIYJA-AAEUAGOBSA-N	317.414	1.801	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)C1(OC)CCC1	272887817	WLGFFGCYJDFEFO-UHFFFAOYSA-N	324.402	1.504	50	20	DDGD	
C[S@](=O)c1cccc(NC(=O)NNC(=O)OC(C)(C)C)c1	272525562	DTBKELNXHZDFLM-NRFANRHFSA-N	313.379	1.985	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)COc2ccccc2F)CCO1	272081011	MSVQJFFUJKQDSQ-MNOVXSKESA-N	310.325	1.167	50	20	DDGD	
CCNC(=O)N(C)NC(=O)COc1ccc(CCC(C)=O)cc1	272704448	VOAYBPLFNPSAAS-UHFFFAOYSA-N	321.377	1.280	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cnc(Cl)c(F)c1	277649727	LXIPGECATPCFFE-LURJTMIESA-N	309.750	1.230	50	20	DDGD	
CCOC(C)(C)CNC(=O)NNc1cccc(C(=O)OC)c1	275793383	OOUNIBYTJAQGSW-UHFFFAOYSA-N	309.366	1.914	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(OC2COC2)cc1	275978464	CIDIXVQBHFXZEQ-UHFFFAOYSA-N	308.338	1.162	50	20	DDGD	
CCCCn1nccc1NC(=O)C(=O)NNc1cccc(F)n1	287739573	CHNOBHIPFOXIRA-UHFFFAOYSA-N	320.328	1.299	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H](c1ccccc1)N(CC)CC	280867541	BLKVXPDFGBPIGG-AWEZNQCLSA-N	320.462	1.751	50	20	DDGD	
O=C(NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)c1cccc(Cl)c1	377875112	QPMAAQDFGNQEOF-WCFLWFBJSA-N	308.765	1.916	50	20	DDGD	
COCCOc1cncc(C(=O)NNC(=O)OC(C)(C)C)c1	283638129	PLRGLKQUVLJMJW-UHFFFAOYSA-N	311.338	1.276	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1csc(NC2CC2)n1	281200741	KZYXDRFRXXJNOS-UHFFFAOYSA-N	323.300	1.224	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@H](F)CC2CCCCC2)n1	280099219	BGPDFIHEYKDKAA-CQSZACIVSA-N	324.400	1.956	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1occc1C(C)C	284413986	RQKNYXYGBPMJRR-UHFFFAOYSA-N	309.366	1.469	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CCCc3nn(C)cc32)nc(C)n1	370251741	LMTVBYWPNBHKEZ-LLVKDONJSA-N	300.366	1.390	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@@H]2CCOC[C@H]2C)n1	286911150	JSPINJOEOWXHSY-KOLCDFICSA-N	309.370	1.092	50	20	DDGD	
O=C(CCC(=O)c1ccc(F)cc1)NNC(=O)[C@@H]1CCCCO1	295273315	CAMGTAGDQAEGRP-AWEZNQCLSA-N	322.336	1.505	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc2c1=O)Nc1ccccc1	801986070	VONVRFNPVYTXQU-UHFFFAOYSA-N	322.324	1.995	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)[C@H](CC)c1ccccc1)OC	290837407	BXOVQRIHDKUGMU-UONOGXRCSA-N	307.394	1.936	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1Cc2ccccc21	807370443	IUWYVGVTBXJGSZ-CYBMUJFWSA-N	306.362	1.263	50	20	DDGD	
CC(C)c1cc(NC(=O)C(=O)NNc2ncccc2F)no1	807300442	MMFXLSNYHIKQRN-UHFFFAOYSA-N	307.285	1.414	50	20	DDGD	
CSSCCNC(=O)NCC(C)(C)N1CCN(C)CC1	806360725	DXUKOHHGUGWHSX-UHFFFAOYSA-N	320.528	1.323	50	20	DDGD	
CN(C)CC(=O)NNC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1	802518612	HIVODOYZXBCIIQ-LLVKDONJSA-N	321.274	1.425	50	20	DDGD	
CC(C)Nc1ncccc1C(=O)NNC(=O)[C@H]1CCCCO1	295562431	MXNDYLAGDQSLOD-GFCCVEGCSA-N	306.366	1.232	50	20	DDGD	
O=C(NNc1ncccc1F)Nc1ccc(-n2cccn2)nc1	806205614	CRQHJJQEZMGADZ-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1ccc(F)c(F)c1F	296062300	CCJVQOCSSQRSHV-VIFPVBQESA-N	317.267	1.826	50	20	DDGD	
CCOc1cccc(CNC(=O)NNC(=O)[C@@H]2CCCCO2)c1	296410781	QVOKOQHHFDJQSS-AWEZNQCLSA-N	321.377	1.485	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccn(C(C)C)n2)cc1	802065361	XBSWDWQTZCEWGT-UHFFFAOYSA-N	317.349	1.939	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)cc1OC	297545345	UWACZYUVCDIGFK-LBPRGKRZSA-N	323.349	1.426	50	20	DDGD	
CC[C@@H](C)CC(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	291128854	GQMKQDBUFGRSPO-LLVKDONJSA-N	313.423	1.816	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H](CO)C1CCCC1	290775400	RLJFRVVLDLOPBG-CYBMUJFWSA-N	321.377	1.190	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)[C@H](F)CC2CCCCC2)CC1	807383134	LNPAIESGTPUFAO-CYBMUJFWSA-N	314.405	1.283	50	20	DDGD	
CCC(CC)n1nc(C(=O)NNC(=O)[C@@H]2CCCCO2)cc1C	295673451	XHOLKKBMQFGEIW-AWEZNQCLSA-N	322.409	1.883	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)[C@@H]1CCCO1	292086607	GGWNAHCTBXVMHQ-KWBADKCTSA-N	310.300	1.395	50	20	DDGD	
C#Cc1ccc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)nc1	803439219	WXPDGQLIMQAUGO-UHFFFAOYSA-N	304.309	1.661	50	20	DDGD	
C[C@@H](Cc1cccc(F)c1)C(=O)NNC(=O)[C@H]1CCCCO1	295322744	GRISHJAWHIYZIB-SMDDNHRTSA-N	308.353	1.721	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)NCCc2ccc(F)cc2)O1	296542490	IYVWVECZDYIUIZ-GWCFXTLKSA-N	309.341	1.266	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)CCO1	802097801	UGYARHQNRHKRIU-NXEZZACHSA-N	321.333	1.383	50	20	DDGD	
O=C(CCCn1cccn1)NNC(=O)Nc1cc(F)cc(F)c1	802003071	GRSQLRJQOZQTPG-UHFFFAOYSA-N	323.303	1.794	50	20	DDGD	
CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)[C@H]1CCCCO1	295678967	XUKCCPVKRUHARY-HUUCEWRRSA-N	320.389	1.869	50	20	DDGD	
Cc1c(C(F)(F)F)nn(C)c1NC(=O)NNC(=O)CC1CC1	806421887	FZHQIAPJRFYNCX-UHFFFAOYSA-N	319.287	1.700	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2COc3cc(F)cc(F)c32)n1	814753040	LZRXBOSZEZYTON-UHFFFAOYSA-N	320.299	1.691	50	20	DDGD	
O=S1(=O)CCN(Cc2ccc(OCCCCl)cc2)CC1	811462056	SWJPHHXQXBXWJZ-UHFFFAOYSA-N	317.838	1.925	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1ccc(N2CCOCC2)s1	814957871	SFFYTFWXIZWPEP-UHFFFAOYSA-N	319.390	1.001	50	20	DDGD	
Cc1nc(CN2CCC(C(=O)NN(C)C3CC3)CC2)cs1	819648192	YHXDFIDKDXJJKL-UHFFFAOYSA-N	308.451	1.789	50	20	DDGD	
COCc1cc(C=NNC(=O)COc2ccccc2O)no1	814950949	FXIHWUWPZZNKFN-UHFFFAOYSA-N	305.290	1.056	50	20	DDGD	
O=C(NNc1cccc2cnccc12)c1cnn2c1OCCC2	815855922	NMBALCYLAVSNKI-UHFFFAOYSA-N	309.329	1.971	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)CCc1ccc(Cl)cc1	818047464	AWCLCSVAUMFCMC-JTQLQIEISA-N	318.826	1.879	50	20	DDGD	
O=C1CCCCC[C@H](C(=O)NNC(=O)Cc2cccnc2)C1	813439985	FBGMPXGCIHLDNO-ZDUSSCGKSA-N	303.362	1.311	50	20	DDGD	
COC(=O)[C@H]1C[C@H]2CC(=NNC(=O)NCc3ccco3)[C@H]1C2	817322961	DVLXSVPTTGOOSW-DLOVCJGASA-N	305.334	1.654	50	20	DDGD	
Cc1sc2nc(CC(=O)NN=C3COC3)nc(O)c2c1C	814741918	AMKBYBLPHNHHIM-UHFFFAOYSA-N	306.347	1.059	50	20	DDGD	
COCCCOc1cccc(C=NNC(=O)c2ccnnc2)c1	817342446	JTVMMEOJLRZGOV-UHFFFAOYSA-N	314.345	1.656	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)CCc1ccccc1O	812501934	CSMRQAMLKVQAKN-VXGBXAGGSA-N	308.378	1.391	50	20	DDGD	
Cn1c(=O)n(CC(=O)NCC(Cl)Cl)c2ccccc21	816604770	WARKSBDSDQQDPG-UHFFFAOYSA-N	302.161	1.260	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@](C)(O)C2CCC2)cc1	813576307	OYUBHVDAQXTXIP-OAHLLOKOSA-N	307.350	1.399	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)NOC/C=C/Cl)c1	812707290	IRCQXWSPIBTDHY-ZZXKWVIFSA-N	319.770	1.400	50	20	DDGD	
C=C(C)C(C)(C)C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1	819816683	NDSZCALQGAIEMN-STQMWFEESA-N	311.426	1.235	50	20	DDGD	
COc1ncc(C=NNC(=O)COc2ccccc2F)s1	812223659	HFAXVPRCVJWFFY-UHFFFAOYSA-N	309.322	1.820	50	20	DDGD	
O=C(NCCc1cn2c(n1)CCCC2)NNc1ncncc1F	814276260	UQRDBHNZQMUAHW-UHFFFAOYSA-N	319.344	1.017	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1nnc(C2CC2)s1	726870812	OIHAUMIOYWMADX-UHFFFAOYSA-N	304.335	1.277	50	20	DDGD	
Cn1nncc1NNC(=O)[C@H]1CCCCN1Cc1ccccc1	816772414	YIPJDANPTHKVDM-CQSZACIVSA-N	314.393	1.313	50	20	DDGD	
CC(C)(CNC(=O)NNc1ncnc2ccsc12)C(=O)O	826585517	NAPPDEAAODINGM-UHFFFAOYSA-N	309.351	1.428	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(F)cc2ccoc12	820941928	JCNUHWYGAQKALS-GFCCVEGCSA-N	306.293	1.902	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cnc(Cc2ccccc2)s1	823946228	GCNBCVGZSZKGNT-LLVKDONJSA-N	305.403	1.691	50	20	DDGD	
O=C(c1ccc(CNS(=O)(=O)CCl)cc1)N1CCCC1	829868446	JDSYOBIXAVVWGU-UHFFFAOYSA-N	316.810	1.538	50	20	DDGD	
CN(C)c1ncc(/C=C(\C#N)C(=O)NC2CCCCC2)n1C	490972383	KBZZQOWRZPGFLF-FMIVXFBMSA-N	301.394	1.842	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=C1CCCOCC1	495995257	UNFJDGQASNAPBQ-CYBMUJFWSA-N	323.393	1.576	50	20	DDGD	
CCOc1cc(C)ccc1CNCc1ccc(B(O)O)cc1F	585030977	NLNVZSQSQOCOEY-UHFFFAOYSA-N	317.169	1.502	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)C(F)(F)c1ccc(F)cc1	728850553	UFCUNGBWIKFOEM-UHFFFAOYSA-N	323.274	1.703	50	20	DDGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C/c2cnnn2C)cc1	490726060	NENFWYNKUUBWLO-XYOKQWHBSA-N	324.344	1.063	50	20	DDGD	
C=C(CI)n1cc([C@@](C)(O)CC)nn1	900641448	UNQDQHQABGAVJE-VIFPVBQESA-N	307.135	1.801	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCSc3c(F)cccc32)cc1	585018354	VILLPKLWSPPMTE-HNNXBMFYSA-N	317.194	1.832	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)/C=C/[C@H]2CCOC2)cc1	493444256	BFYOVGPPNBQFKW-KVEVGEHQSA-N	318.373	1.368	50	20	DDGD	
CC(=O)OC1CCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)CC1	491107629	WCCBIRUCHBJVSP-GXDHUFHOSA-N	314.341	1.853	50	20	DDGD	
Cc1cc(NNC(=O)C[C@H](c2ccccc2)N(C)C)nc(N)n1	828372131	RFGNJOWVYSXVKY-CYBMUJFWSA-N	314.393	1.503	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNc1cc(Cl)nc(C)n1)C(C)C	823695196	HYUOOBNFAZHZRS-LLVKDONJSA-N	314.773	1.717	50	20	DDGD	
CN1C(=O)CCc2cc(/C=C(/C#N)C(N)=C(C#N)C#N)ccc21	588507020	KNBMOCURLLFFMO-QPEQYQDCSA-N	303.325	1.763	50	20	DDGD	
CC(C)(C)c1ccccc1OCC(=O)N1CC[C@@H](B(O)O)C1	585069129	LHAFGEITEHRBLF-GFCCVEGCSA-N	305.183	1.438	50	20	DDGD	
C[C@H](Cc1cccs1)N(C)C(=O)c1cc(B(O)O)ccc1F	584958111	VASOWNNTIFLOIY-SNVBAGLBSA-N	321.182	1.270	50	20	DDGD	
Cc1cccc(NCCNC(=O)/C(C#N)=C\c2cnn(C)c2)n1	491049892	OCXFNXFNSAYSDJ-ZSOIEALJSA-N	310.361	1.259	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2c(Cl)c(C)nn2C)n1	905426463	MIFMXUHMXWOROO-UHFFFAOYSA-N	308.773	1.346	50	20	DDGD	
Cc1nc(C=NNC(=O)c2ccnc(N(C)C)c2)c2ccccn12	731561338	AJFGKFWTJRHJKZ-UHFFFAOYSA-N	322.372	1.868	50	20	DDGD	
CCc1nnc(C(=O)NNC(=O)Cc2ccccc2C)s1	901089592	RKTXTVWRJKRBCE-UHFFFAOYSA-N	304.375	1.413	50	20	DDGD	
COCc1csc(CNCc2ccc(B(O)O)cc2F)c1	585046654	AJNVNAMYJUPCHX-UHFFFAOYSA-N	309.171	1.003	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)NCCC#N)c1	838572955	FELDADCDCSLBML-UHFFFAOYSA-N	311.729	1.598	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1nc2ccccc2n1C	496777815	SUGVBYBVUHMHTE-UHFFFAOYSA-N	319.365	1.543	50	20	DDGD	
Cc1c(NNC(=O)[C@@H](CC(C)C)C(N)=O)cccc1[N+](=O)[O-]	839709440	QCBBIUKLLQURDB-JTQLQIEISA-N	308.338	1.494	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCCC[C@H]1C1CCC1	585002674	CHXHTQJJQNWCLV-HNNXBMFYSA-N	305.158	1.300	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(C(F)(F)F)nn1)c1cnccn1	907124966	TVIXUSQIPSTALE-SSDOTTSWSA-N	312.255	1.532	50	20	DDGD	
CC(C)CCC1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1	584962888	SQWAZPXWWNBGBK-UHFFFAOYSA-N	321.201	1.794	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc(C(F)(F)F)[nH]1	833236631	UCOJUKBTFWFVNM-MRVPVSSYSA-N	305.256	1.364	50	20	DDGD	
COC(=O)[C@@H](C)Oc1ccccc1C=NNC(=O)C(F)F	901216807	HPCIDYHABNZYEF-MRVPVSSYSA-N	300.261	1.342	50	20	DDGD	
CC(C)c1ccccc1OCC(=O)NNC(=O)[C@H]1CCCCO1	833261170	MHHYICBEOJOVMK-OAHLLOKOSA-N	320.389	1.905	50	20	DDGD	
O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CC[C@H](B(O)O)C1	585074910	PGKSHFLQFARBMG-UXONFWTHSA-N	313.084	1.794	50	20	DDGD	
O=C(NCC[C@@H]1C[C@H]2CC[C@H]1O2)NNC(=O)c1ccccc1	838752239	BSMMLYNMJNVVQI-MGPQQGTHSA-N	303.362	1.588	50	20	DDGD	
O=C(C[C@H]1OCCc2ccccc21)NNC(=O)c1ccccn1	734417581	HVGJYJOHOLWZGS-OAHLLOKOSA-N	311.341	1.547	50	20	DDGD	
CC(C)Oc1ccc(/C=C/C(=O)N2CC[C@H](B(O)O)C2)cc1	585078052	VKVBFWQINPKJJL-GPAKFWEMSA-N	303.167	1.562	50	20	DDGD	
CC(C)OCc1cccc(CNCc2ccc(B(O)O)o2)c1	585017424	XDBGSZSJMXOFHY-UHFFFAOYSA-N	303.167	1.174	50	20	DDGD	
C[C@@H]1CCc2c(F)cccc2[C@@H]1NCc1ccc(B(O)O)cc1	585027326	ZXAJDXRNQXRLGF-KZULUSFZSA-N	313.181	1.919	50	20	DDGD	
COc1ccc(C(=O)NN=C2C[C@H](C)n3ccnc32)cc1OC	834921742	WKHUIGKNEYZLMV-JTQLQIEISA-N	314.345	1.999	50	20	DDGD	
CC(=O)N1CC[C@H](CN(C)C(=O)[C@]2(C)C[C@@H]2Br)C1	907124009	OGCHKVFCKANAKF-NTZNESFSSA-N	317.227	1.487	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1ccc([C@H]2CCOC2)cc1	836695623	CJUAMXDVWYAAHI-LBPRGKRZSA-N	314.345	1.985	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1	837604596	QWCIMPQMLVFNFM-ZWKOPEQDSA-N	317.345	1.463	50	20	DDGD	
CC(C)CCOc1ccc(C=NNC(=O)NCC(=O)O)cc1	833484557	SMVCDVRHTYQLSR-UHFFFAOYSA-N	307.350	1.829	50	20	DDGD	
CCC(=NNC(=O)C(=O)NC1CC1)c1cc(Cl)ccc1OC	736429853	IEULBXKHPDXXEX-UHFFFAOYSA-N	323.780	1.858	50	20	DDGD	
CC(C)c1scnc1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	831817895	BTSBJZNVZTYGLY-RKDXNWHRSA-N	312.395	1.844	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C2CCN(OC)CC2)c1	834925843	FEZDYQBVFFYHRV-UHFFFAOYSA-N	307.350	1.447	50	20	DDGD	
COc1ccc2c(c1)[C@@H](C(=O)N1CC[C@H](B(O)O)C1)CCC2	585063895	JTQVZAMONAZVEE-JSGCOSHPSA-N	303.167	1.190	50	20	DDGD	
O=C1NCC[C@@H]1C(=O)NNc1ccc(F)cc1Br	830772148	ZSWFSLKHSFXNCQ-ZETCQYMHSA-N	316.130	1.167	50	20	DDGD	
O=C(Cc1ccccc1O[C@@H]1CCOC1)NNC(=O)CC1CC1	832912884	LZILXJKCZWFWDY-CQSZACIVSA-N	318.373	1.344	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)Cc2ccccc2F)COC1	836633093	ANUNXMRJVBWJJM-UHFFFAOYSA-N	309.341	1.125	50	20	DDGD	
CO[C@@H]1CCN(C(=O)NNC(=O)c2ccccc2C)C[C@H]1C	836191724	IXGARSYFSUBKHV-TZMCWYRMSA-N	305.378	1.706	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cn(Cc2cccs2)nn1	742533543	PLSZNHUJOBHMEJ-UHFFFAOYSA-N	319.390	1.339	50	20	DDGD	
Cc1cccc(NNC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)c1	915065552	JPQPSBZDDDWFSI-UHFFFAOYSA-N	322.390	1.330	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1csc(-c2ncccc2F)n1	910155573	NBOKLOIYCVGKLS-MRVPVSSYSA-N	310.354	1.302	50	20	DDGD	
COc1ccc(C=NNC(=O)c2sc(N)nc2C)cc1C#N	741761629	AGNGUQBFICIIFV-UHFFFAOYSA-N	315.358	1.678	50	20	DDGD	
O=C(NCCOc1ncccc1F)NNc1ccc(F)cn1	746802220	ZAWVSWBDROEBLF-UHFFFAOYSA-N	309.276	1.460	50	20	DDGD	
CCC(CC)(CO)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	847289466	MLBYTTWLRRGNKN-UHFFFAOYSA-N	317.389	1.657	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCCc2c(O)cccc21	843972157	SXHKIYMIRQJQMA-WDMOLILDSA-N	318.373	1.385	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNC(=O)Nc2ccc(Cl)cc2)CCN1C	843879638	CPUQTFYYHPRQMI-BXKDBHETSA-N	310.785	1.833	50	20	DDGD	
COc1cc(C)c(C=NNC(=O)[C@@H]2CCO[C@H]2C)cc1OC	842556457	SRAGLFQULZDXHB-WCQYABFASA-N	306.362	1.887	50	20	DDGD	
CC[C@](C)(NCC(=O)NNC(=O)C(C)(C)C)c1nccs1	744404261	LXWSLWVCNQINGU-AWEZNQCLSA-N	312.439	1.551	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCCC1=NNC(=O)c1ccc(C#N)cc1	741460562	RJAGOBFTJOWNDV-CQSZACIVSA-N	319.386	1.631	50	20	DDGD	
CCCC(=NNC(=O)Cc1cc(O)nc(O)n1)[C@@H]1CC1(C)C	841628003	IWIWOXBIQQUKHU-JTQLQIEISA-N	306.366	1.749	50	20	DDGD	
CS(=O)(=O)CCC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	917217226	HFYOTSDSNGVHJM-UHFFFAOYSA-N	321.742	1.126	50	20	DDGD	
CC(C)C(=O)N1CCC(C(=O)NNC(=O)C2CCCC2)CC1	914844334	WATGYOLNYJYKAN-UHFFFAOYSA-N	309.410	1.219	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1ccc(S(C)(=O)=O)s1	842549563	ODYPFBNLMAZRDB-PSASIEDQSA-N	316.404	1.027	50	20	DDGD	
CCC(CC)[C@@H](CCNC(=O)NNC(=O)c1ccc[nH]1)OC	747456520	MBRKUCXHRZBKPM-CYBMUJFWSA-N	310.398	1.800	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=S)Nc1cccc(C(C)C)c1	917573440	WAVPIWXYBYMDSF-UHFFFAOYSA-N	322.434	1.652	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H]1CCO[C@@H](c2ccccc2)O1	847346382	WDFZNLZAEJQKRR-GXTWGEPZSA-N	306.362	1.684	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)OCCN2CCOC2=O)c1	913263622	HOIZTSPNSISFEW-LCYFTJDESA-N	316.313	1.598	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@H]1COc2ccccc2C1	916199186	KMBGURULMUIXOX-GFCCVEGCSA-N	305.378	1.614	50	20	DDGD	
O=C(COC(=O)CCc1ccco1)NNC(=O)c1cccs1	844255032	IAMZCQWGQITYNJ-UHFFFAOYSA-N	322.342	1.278	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@@H]1CCCC[C@@H]1CN	841952628	DDDPHCMLQZVQSL-HUUCEWRRSA-N	318.421	1.385	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1	910167033	BYJHSGUCPKFWEL-GDBMZVCRSA-N	305.422	1.242	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@@H](CC(C)C)OC)cc1	842225432	VXZSTYLBDWVICE-CQSZACIVSA-N	323.393	1.316	50	20	DDGD	
COc1cc(OC)c(C=NNC(=O)[C@@H]2CCCCO2)cc1F	844599745	AOEGJUJQYGYBFC-LBPRGKRZSA-N	310.325	1.862	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnn(-c2ccc(F)cc2)c1	843779622	ZCSOWOLISVQSOF-UHFFFAOYSA-N	319.340	1.756	50	20	DDGD	
CCc1ccc(C(=O)NNc2nnc(C)c(O)n2)cc1[N+](=O)[O-]	746677475	AHAPRLRDXXBHSP-UHFFFAOYSA-N	318.293	1.113	50	20	DDGD	
NC1(CNC(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)CCC1	846675455	HCSLXGVAZVYNBY-OPQQBVKSSA-N	301.228	1.938	50	20	DDGD	
Cc1cc(O)cc2c1C(=O)C(=NNC(=O)c1ccccc1O)O2	915934931	NOKNXZLYEKIWBW-UHFFFAOYSA-N	312.281	1.725	50	20	DDGD	
CC1(NC(=S)NNC(=O)c2ccc3c(c2)OCCO3)CCC1	840707538	WFBZIUMTAOSRCK-UHFFFAOYSA-N	321.402	1.509	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNC(=O)CNc1ccc(C)cc1C	842223848	FYDANVKPZODTQC-OAHLLOKOSA-N	321.421	1.924	50	20	DDGD	
COc1ccc(CC(C)=NNC(=O)C(=O)NC2CC2)cc1OC	744828250	WWDOSVPOLDNCOT-UHFFFAOYSA-N	319.361	1.017	50	20	DDGD	
Cc1ccc2cccc(NC(=O)NNC(=O)CCCN)c2n1	841110953	ZTMZJPSKDDJIKJ-UHFFFAOYSA-N	301.350	1.435	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@H]1CCCN2CCCC[C@@H]12	847442411	JLAHLQWVTKGFKF-RYUDHWBXSA-N	312.414	1.742	50	20	DDGD	
O=C(O)c1cccc(C(=O)NNC(=S)NCC2CCC2)c1	740215016	DVBONTQWEXWMRP-UHFFFAOYSA-N	307.375	1.294	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)c2ncccn2)s1	841353803	FUMRZSJHEXUIHB-UHFFFAOYSA-N	305.363	1.269	50	20	DDGD	
NC(=O)NCCC(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846378426	BJQSVMVNFSCNQD-UHFFFAOYSA-N	324.690	1.860	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cc(C)n(CC(F)(F)F)n1	841805577	PXBHPPDRGLXUSE-ZETCQYMHSA-N	321.303	1.953	50	20	DDGD	
CCN1C[C@H](NC(=O)NNc2ccc(F)cc2Cl)CC1=O	922721984	KYMRDPNCIGBTMQ-SECBINFHSA-N	314.748	1.726	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(O)(c1ccccc1)c1ccccc1	920499997	YALSBRCOBPPDFF-UHFFFAOYSA-N	312.369	1.726	50	20	DDGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCC(O)(CO)CC1	852499656	VLKKFNOLGWEXDQ-LHHJGKSTSA-N	303.318	1.278	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2cccc(F)n2)CC(C)(C)C1	852709181	OVONKCRZQMIDPC-SNVBAGLBSA-N	308.357	1.943	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NN=Cc1ccccn1	853372653	TUHSUNWFJXSWJN-ZIAGYGMSSA-N	313.361	1.433	50	20	DDGD	
COc1cccc(CC(=O)NNC(=O)CC(F)(F)F)c1Cl	854997419	IQWLGAYDUBYASO-UHFFFAOYSA-N	324.686	1.991	50	20	DDGD	
C=C(CBr)COC(=O)C1CCN(C(=O)OC)CC1	850111743	DCUREXNACADYHT-UHFFFAOYSA-N	320.183	1.959	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc(C(F)(F)F)nn2C)n1	857435781	KCPDBBQXCTYYCF-UHFFFAOYSA-N	314.271	1.603	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)[C@@H]1CC(=O)N(C2CCCC2)C1	856095881	VIRNVKXAVRJQDO-SNVBAGLBSA-N	322.796	1.969	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@@H](c1ccccc1)N(C)C)C1CC1	855099310	WGPGLXWVJGSRFO-BXUZGUMPSA-N	320.462	1.583	50	20	DDGD	
CO[C@@]1(C)C[C@H]1NC(=O)NNC(=O)c1ccc2ccccc2n1	852686927	CAWPEEIUDVUICW-CJNGLKHVSA-N	314.345	1.356	50	20	DDGD	
CCN1CCC[C@H](NC(=O)/C(C#N)=C\c2ccc(O)cc2)C1=O	928877051	ZNPCBXNIBFMYSK-WVUXNXBLSA-N	313.357	1.426	50	20	DDGD	
CCOC1CC(=NNC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)C1	853377303	MKBBVGKADUDYFI-JYRZLJSNSA-N	320.393	1.559	50	20	DDGD	
Cc1c(Br)cccc1CC(=O)NNc1cnnn1C	857274094	ZTZKZCJCIYASES-UHFFFAOYSA-N	324.182	1.572	50	20	DDGD	
CC(C)OCCCCNC(=O)NNc1ncc(Cl)cn1	856884174	UYJLFLHYZAGUCC-UHFFFAOYSA-N	301.778	1.961	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(C(C)(C)C)nn2C)o1	752780628	DJGOCWMYNPNKLU-UHFFFAOYSA-N	304.350	1.694	50	20	DDGD	
CSCC[C@@H](CC(=O)NNC(C)=O)NC(=O)OC(C)(C)C	929181884	IALFSHNWXMAXOQ-JTQLQIEISA-N	319.427	1.190	50	20	DDGD	
Cc1cc(CNC(=O)NN=c2sc3ccccc3n2C)no1	920235863	XCOHDBOBSFFWBM-UHFFFAOYSA-N	317.374	1.851	50	20	DDGD	
Cn1nncc1NNC(=O)[C@]1(C(=O)OC(C)(C)C)CC=CCC1	857269741	GKJWJSXYJSJGNE-HNNXBMFYSA-N	321.381	1.326	50	20	DDGD	
CCCN1CC[C@@H](NC(=O)NNC(=O)CCc2ccccc2)C1	852631053	GQSKWQMEGLHGJE-OAHLLOKOSA-N	318.421	1.434	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@](C)(O)Cn1ccccc1=O	855369999	JQIIQDPWLPHUSY-MRXNPFEDSA-N	319.336	1.190	50	20	DDGD	
O=CN1CCC[C@@H]1C(=O)NNC(=O)Nc1ccc(Cl)cc1	854377132	HVUULPNAPICWCE-LLVKDONJSA-N	310.741	1.114	50	20	DDGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCC(OCCO)CC1	757129447	HBTOGELSOXWVJX-AYSLTRBKSA-N	317.345	1.933	50	20	DDGD	
CN(C[C@H](O)C1CC1)C(=O)NC[C@]1(C)C[C@H]1Br	856953380	KWGXICAUMVDCLD-UMNHJUIQSA-N	305.216	1.572	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H](CC(=O)NNc1cnccn1)C1CC1	753416901	PYSMCSKRIKTXNS-NSHDSACASA-N	321.381	1.613	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)Cc1occc1C	856724544	MKUJXABTCMZSDP-UHFFFAOYSA-N	316.357	1.919	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1CCCN1C(C)C	936036423	PQEJIYVMZGEWLD-AWEZNQCLSA-N	319.405	1.258	50	20	DDGD	
Cc1nn(C(C)(C)C)cc1C(=O)NNc1ccnc(N(C)C)n1	753423171	RKTUWZUCUVZELR-UHFFFAOYSA-N	317.397	1.559	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=Cc1ccc(C(F)(F)F)cc1	863190164	OEDFBDNLPIFBNM-UHFFFAOYSA-N	308.281	1.200	50	20	DDGD	
C[C@H](NNC(=O)c1ccnc(N2CCCC2)n1)C(F)(F)F	862313801	OMXGDADUIIQOCE-QMMMGPOBSA-N	303.288	1.262	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CSC2)c2ccccc2n1	868007728	VXBRAIFSZJZJBB-UHFFFAOYSA-N	301.371	1.667	50	20	DDGD	
O=C(NN=C1CN2CCC[C@H]1C2)Nc1ccc(C(=O)O)cc1	863096800	WMNNGOSHQNQTOO-NSHDSACASA-N	302.334	1.588	50	20	DDGD	
CCC[C@H](O)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	935679786	FXQXFGNTTGRDPW-SKDRFNHKSA-N	314.769	1.416	50	20	DDGD	
CC(C)(C)Oc1ccc(CNCc2ccccc2B(O)O)cc1	863888585	HKQIUKLBLOTWKI-UHFFFAOYSA-N	313.206	1.834	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1ccc2nc[nH]c2c1	863941903	HLFHCEOIINGLSH-UHFFFAOYSA-N	308.210	1.995	50	20	DDGD	
Cc1cn2ccnc(C(=O)NNc3ccccc3[N+](=O)[O-])c2n1	761389052	BQQLZXMCEGJGIX-UHFFFAOYSA-N	312.289	1.703	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc2sccc2c1	760450712	WXNFLYBQLMTTFE-UHFFFAOYSA-N	307.375	1.882	50	20	DDGD	
CCN1CCO[C@@H](C(=O)N(C)NC(=O)OCc2ccccc2)C1	862287488	OSXVTNBHBRSUDZ-CQSZACIVSA-N	321.377	1.007	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@@H]1CCC[C@@H]2OCC[C@@H]21	760904188	YNCIINQUXQZLJU-BNOWGMLFSA-N	321.352	1.727	50	20	DDGD	
COCC(=O)NN=Cc1ccccc1I	761821676	LTSDBCZBXOUYEQ-UHFFFAOYSA-N	318.114	1.388	50	20	DDGD	
CC(C)NC(=O)c1ccc(C(=O)NNC(=O)C2CCCC2)cc1	767239682	KYLDGBXNNLKMPV-UHFFFAOYSA-N	317.389	1.776	50	20	DDGD	
O=C(/C=C/CN1CCOCC1)NNc1cccc(F)c1Cl	869390192	RSHRSDNRYVSMEW-GORDUTHDSA-N	313.760	1.811	50	20	DDGD	
COC[C@H]1CCCN1NC(=O)c1c(C)nn(CCCl)c1C	862599085	CXTBUKFBVIVSDY-GFCCVEGCSA-N	314.817	1.494	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1ccc([N+](=O)[O-])[nH]1	863093618	UZDLDDMJTSLSPZ-UHFFFAOYSA-N	302.159	1.355	50	20	DDGD	
COCC(=O)NN=Cc1c(C)nn(-c2ccccc2)c1Cl	761819300	UBBQZRHNDRLEFK-UHFFFAOYSA-N	306.753	1.931	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)Cc2ccn(C)n2)c(C)c1	873759557	XBUWGIVJKFYRFB-UHFFFAOYSA-N	317.418	1.597	50	20	DDGD	
CCC(C)(C)CC(=O)NNc1nccc(N2CCOCC2)n1	762853490	RZQPDKOGPGPWGH-UHFFFAOYSA-N	307.398	1.583	50	20	DDGD	
CN(C)CC1(C(=O)NNc2nc(-c3ccccc3)no2)CC1	874452436	JJJDMSDNOGCOBY-UHFFFAOYSA-N	301.350	1.522	50	20	DDGD	
Cc1nnc(NNC(=O)c2ccnc(C(F)(F)F)c2)nc1O	1117571569	UCBSCABTHZNGFO-UHFFFAOYSA-N	314.227	1.056	50	20	DDGD	
COc1ccc(C(=O)NNc2cccc(S(C)(=O)=O)c2)cn1	776538122	HJECQMYAQKJNBQ-UHFFFAOYSA-N	321.358	1.251	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C2[C@H]3CCC[C@H]23)cn1	874954173	PGJRQUQVIXJFEB-UWVGGRQHSA-N	306.391	1.454	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H]2CCN(C)C2=O)c1	873756550	IOXMTKWOMSSCGQ-NSHDSACASA-N	320.418	1.099	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNC(=O)CC2CCCC2)cs1	873805019	SVYKGECXSQDPBO-UHFFFAOYSA-N	309.391	1.723	50	20	DDGD	
COCCOc1cccc(CC(=O)NNC(=O)C2CCCC2)c1	772051016	PYDCLSARGAEVCL-UHFFFAOYSA-N	320.389	1.592	50	20	DDGD	
O=S(=O)(CCCCCl)NC[C@H]1Cc2ccccc2O1	163441964	FBRNXKBVIHXFLB-GFCCVEGCSA-N	303.811	1.929	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CSCCc2ccccc21	779820607	HCRRCAVPOZTMEX-UHFFFAOYSA-N	307.375	1.152	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)Cn1cccn1	772968362	RSZDLYOFHDXLRX-JTQLQIEISA-N	322.752	1.151	50	20	DDGD	
COC(=O)[C@@H]1CC(F)(F)CN1CCI	880331819	RDRIVWLZTKVSKJ-LURJTMIESA-N	319.089	1.304	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ncccc1C(F)(F)F	883067496	KMYQSZDLQBNYLX-UHFFFAOYSA-N	317.267	1.288	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2cccc(S(C)(=O)=O)c2)CCO1	773201552	QBIZMTOZXLOUEG-SNVBAGLBSA-N	310.375	1.375	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C1CCOCC1)n1cnc2ccccc21	883061153	KMJMIUPVYCBXNW-LLVKDONJSA-N	316.361	1.171	50	20	DDGD	
CC(C)(CNC(=O)NNc1ccc(C#N)cn1)OCC1CC1	889240465	CWIWQFSECUXBML-UHFFFAOYSA-N	303.366	1.785	50	20	DDGD	
CC(=NNC(=O)C(F)F)c1ccc(S(=O)(=O)N(C)C)cc1	782235338	BUQKOFQEICRIKY-UHFFFAOYSA-N	319.333	1.042	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@@H]1CCCC12OCCO2	889506695	PVDHZSQSLAHHSW-GFCCVEGCSA-N	323.324	1.065	50	20	DDGD	
COc1ccccc1[C@H](C)CC(=O)NNC(=O)c1cccnn1	882058348	GYUHBAPDYBJNMB-LLVKDONJSA-N	314.345	1.440	50	20	DDGD	
CCCc1csc(NC(=O)C(=O)NNC(=O)C2CCCC2)n1	789733355	KALMGFQHCKMTMC-UHFFFAOYSA-N	324.406	1.372	50	20	DDGD	
CCNC(=O)NNC(=O)c1c(F)ccc(C)c1Br	787201804	MMPHDVPUJGVLPO-UHFFFAOYSA-N	318.146	1.861	50	20	DDGD	
C#CCN1CCC[C@@H](NC(=O)NNc2ccc(OCC)cc2)C1	890364805	IUXMOSXMKXHLOV-OAHLLOKOSA-N	316.405	1.809	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@@]2(C)CCCOC2)c1	781104033	JUPNYFVFNSVRNP-INIZCTEOSA-N	305.378	1.330	50	20	DDGD	
Cc1noc(C)c1C[C@@H](C)NC(=O)NNc1ncncc1Cl	780991626	PNBQLUKIEXSARN-SSDOTTSWSA-N	324.772	1.992	50	20	DDGD	
CCCCS[C@H](C)C(=O)O[C@H](C)C(=O)NNC(=O)CC	785737106	BIQUWPVYZLCGJP-NXEZZACHSA-N	304.412	1.397	50	20	DDGD	
CC[C@@H](C)CCCCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1	783800547	VDAUQFVVXRKIRF-NEPJUHHUSA-N	318.439	1.175	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cccc(OC)c2)cc1	783023404	VOYIUYDDDLUKLX-UHFFFAOYSA-N	315.329	1.786	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O	899993602	ZRXFXPQLXBXLNA-ZACCUICWSA-N	311.451	1.676	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(N2CCOC2=O)ccc1F	780712017	VDIVRSGYJXRRSI-UHFFFAOYSA-N	324.312	1.088	50	20	DDGD	
Cc1ccc(F)c(NC(=O)C(=O)NNc2ncccc2C)c1	792375784	NSSOZCCOISETAJ-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccnn2-c2ccccc2)n1	794089641	JJUSRZMKMWHXAP-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)c1cc(OC)cc(OC)c1)C(C)C	798552174	LUQAGOCXCBFVNO-AWEZNQCLSA-N	319.361	1.306	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cc(C#N)oc1C	798108323	QFLFQUMURPKADM-UHFFFAOYSA-N	313.313	1.472	50	20	DDGD	
O=C(NCc1ccc(F)c(F)c1)NNc1nc2ccccn2n1	790247390	HEIXFKIEURIEPL-UHFFFAOYSA-N	318.287	1.834	50	20	DDGD	
CCC1=C(C(=O)NNC(=O)COc2ccccc2F)CCCO1	790112229	DEAQFJBNQXDONW-UHFFFAOYSA-N	322.336	1.826	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CCc1cncnc1	796822094	HXIFCYCJOHYSGS-UHFFFAOYSA-N	303.274	1.932	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	798126672	AETDBNYWRACXEI-FZMZJTMJSA-N	322.409	1.966	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53	795112285	YVBCHADJUXVOCZ-QBKWXWHMSA-N	316.792	1.967	50	20	DDGD	
COc1cccc(C=NNC(=O)CNc2ccccc2OC)n1	790143997	GAFIIKDJYJTLNZ-UHFFFAOYSA-N	314.345	1.661	50	20	DDGD	
COCCN(C)c1ccc(C=NNC(=O)c2ccccc2)cn1	790136857	WWEPTUNZTNFVQD-UHFFFAOYSA-N	312.373	1.928	50	20	DDGD	
O=C(NNC(=O)c1cc(C2CC2)no1)c1ccc2c(c1)OCO2	799408546	XLSKNBLOFZFEPH-UHFFFAOYSA-N	315.285	1.356	50	20	DDGD	
CC1(C)CC(C(=O)NNC(=O)COc2ccc(C#N)cc2)C1	794613683	QGCCVQPLDPQXQC-UHFFFAOYSA-N	301.346	1.521	50	20	DDGD	
Cc1ccc(C)c2c1OCCC2=NNC(=O)C(=O)NC(C)C	1317993181	QQRUWZUCDLJOCV-UHFFFAOYSA-N	303.362	1.431	50	20	DDGD	
N#CCc1ccc(C(=O)NNc2nncc(N)c2Cl)cc1	1319528983	LVIWKPUURTZCLV-UHFFFAOYSA-N	302.725	1.535	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccc(OC(F)F)c1)n1ccnc1	1318476930	WWWPWXYGQWCZEZ-VIFPVBQESA-N	324.287	1.507	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc3cncn3c2C)cc1	1320027504	YPNZOOJPGJQDGS-UHFFFAOYSA-N	324.340	1.726	50	20	DDGD	
Cc1conc1NC(=O)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	1321045997	FUXGDIPTUUNDSY-UHFFFAOYSA-N	323.240	1.112	50	20	DDGD	
CN(C)C(=O)c1ccc(NC(=O)NNc2ncc(F)cn2)cc1	1320526639	AKNGLGBYWWFIFU-UHFFFAOYSA-N	318.312	1.466	50	20	DDGD	
NC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)c2ccccc2Cl)C1	1320632241	VCGZBOFEYOXGKX-VHSXEESVSA-N	323.780	1.393	50	20	DDGD	
COCCCNC(=O)NNC(=S)Nc1cccc(F)c1F	1335498041	FMGURAWTDRIMFI-UHFFFAOYSA-N	318.349	1.502	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CCn3cnnc3[C@H]2C)c1	1334940230	WKVZVCZYHXYWKH-SECBINFHSA-N	320.378	1.079	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)c2ccccc2Cl)ncn1	1335865542	FTEWQYHYRRBCAX-UHFFFAOYSA-N	319.752	1.583	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H](CCCO)c2ccccc2)cc[nH]1	1261964661	SHDTVQLXAYWGJZ-INIZCTEOSA-N	314.389	1.952	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@@]2(F)CCOC2)cc1	1343671348	OQJDUFUVRXJNCL-CQSZACIVSA-N	312.366	1.363	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CCC[C@H]2OC)c1F	1262628270	PTUFLOGMOWMPEA-BXKDBHETSA-N	310.325	1.871	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=Cc1cc(C)ncn1	1347601066	ZORNLQRRRFKNMA-UHFFFAOYSA-N	322.372	1.847	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)Cc1cc2ccccc2[nH]1	1340897199	FUXBWYHISIZDMC-LLVKDONJSA-N	302.378	1.546	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cnn2c1NCCC2	1347351818	HLIYBGYBPYJWHY-UHFFFAOYSA-N	313.230	1.131	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(=NCc2ccccc2)cc[nH]1	1263841430	LBTODIJZVGBVKA-ZDUSSCGKSA-N	314.389	1.073	50	20	DDGD	
COC(=O)CC(C)(C)N(C)S(=O)(=O)CC(C)(C)CCl	1351805938	ONFRGCPWCPLLLC-UHFFFAOYSA-N	313.847	1.855	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@H]2CCC[C@@]2(N)C1	1351162259	DIAUBTOTQPPDLB-IUODEOHRSA-N	310.829	1.692	50	20	DDGD	
N#C/C(=C/c1ccc(-c2nn[nH]n2)cc1C(F)(F)F)C(N)=O	1606336283	XGFASLWIRPMIKA-BAQGIRSFSA-N	308.223	1.278	50	20	DDGD	
O=C(NNc1c(F)c(F)nc(F)c1F)[C@H]1CC[C@H]1C(=O)O	1601554315	VZCNGIIBVSUENV-IUYQGCFVSA-N	307.203	1.192	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@H]1CCn2ccnc2C1	1602231267	VAVKUNBMEZQBFV-VIFPVBQESA-N	318.308	1.426	50	20	DDGD	
O=C(O)[C@H](C(=O)NNc1nc2ccccc2[nH]c1=S)C1CC1	1605901637	UHTHYUGSORILMB-JTQLQIEISA-N	318.358	1.846	50	20	DDGD	
O=C(CCN1CCCCCC1)NN=Cc1ccoc1C(=O)O	1601275965	ZULKGOYPYGZGKA-UHFFFAOYSA-N	307.350	1.694	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)N[C@@H]2CCCOCC2)cc1	1608781292	WOFIQKOFMYNBGF-GFCCVEGCSA-N	307.350	1.509	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)[C@@H]1CCn2cncc2C1	1602471130	CWWZWMSKDXWGTQ-SNVBAGLBSA-N	300.318	1.287	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@@H]2CCC[C@H]2CC(=O)O)cn1	1600944746	BUBHAWUNKVCQGU-QZGNOPRHSA-N	302.334	1.087	50	20	DDGD	
O=C(O)Cc1occc1C(=O)NNc1cccc(F)c1[N+](=O)[O-]	1608794117	IFOFMQINZCXPHL-UHFFFAOYSA-N	323.236	1.711	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@H]1CC[C@H](C(=O)O)CC1	1610658915	HVSHTOAZVSNCAS-HDJSIYSDSA-N	318.373	1.658	50	20	DDGD	
CCc1ccc(C(C)=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)o1	1549317642	MOCBHBPRRUDJPX-WFASDCNBSA-N	305.378	1.545	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C(=O)NN=CCC(F)(F)F	1549315017	KGTHJMBKIVFNNH-VHSXEESVSA-N	318.299	1.942	50	20	DDGD	
COc1cccc(C(C)=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)c1	1549318468	ZKPAXQOUEICVRQ-HOCLYGCPSA-N	317.389	1.399	50	20	DDGD	
O=C(NN=C1CCOC2(CCC2)C1)[C@H]1CN2CCC[C@H]2CO1	1549315278	NXVWULFDBQPZOE-UONOGXRCSA-N	307.394	1.055	50	20	DDGD	
CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(Cl)Cl)CC2	1814225852	XORZNPZEPWKWBO-LURJTMIESA-N	322.217	1.879	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@]2(C)CCNC2)c1	1574151916	GHLKVUFGYMRLHC-HNNXBMFYSA-N	306.435	1.621	50	20	DDGD	
COc1ccc(CC(=O)NNc2ncccc2C(=O)O)cc1O	1574206381	WNLLUXIWCFIQSU-UHFFFAOYSA-N	317.301	1.180	50	20	DDGD	
CCOCc1nc(Cl)cc(NNC(=O)N[C@H](C)CCN)n1	1578127040	KSEHJOIZOXCCMD-MRVPVSSYSA-N	316.793	1.030	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1ccc(CC(=O)O)cc1)C(C)(C)C	1589165731	SVVWOENKEVPPDT-CQSZACIVSA-N	321.377	1.308	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](C)OC)C2	1845167842	WZNXBVFURYONRT-GHMZBOCLSA-N	302.802	1.242	50	20	DDGD	
CC(C)OCC(=O)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846386459	OLUSJTYJTFVPSP-UHFFFAOYSA-N	323.220	1.419	50	20	DDGD	
CC(C)CO[C@@H]1CS(=O)(=O)C[C@H]1I	158191473	JGEDEIDODOWKHZ-HTQZYQBOSA-N	318.176	1.260	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@@H]1F)C2	1841665904	ABDHPIRDABXBGO-WOPDTQHZSA-N	316.804	1.955	50	20	DDGD	
CN(NC(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)OC(C)(C)C	1591154003	AGTKDMIAIPJJQD-UHFFFAOYSA-N	318.337	1.378	50	20	DDGD	
N#Cc1cccc(OCC(=O)NNc2ncccc2C(=O)O)c1	1594628307	JHZGFEILIVDWRH-UHFFFAOYSA-N	312.285	1.174	50	20	DDGD	
O=C(O)c1cnc(C(=O)NNc2ccc(Cl)cc2F)cn1	1595266053	CEFJSSZGRIVYFB-UHFFFAOYSA-N	310.672	1.724	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H]1CC[C@@H](C(=O)O)C1	1594486590	YBQXHAQVNPYCSW-MNOVXSKESA-N	313.785	1.722	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cc(C(=O)O)c(F)cc1F	1594866879	NOZKJVFYUKXIFQ-LURJTMIESA-N	315.276	1.862	50	20	DDGD	
CCOc1cccnc1C(=O)NNc1ccccc1C(=O)O	1597186055	HKXHHDCBVJFAHE-UHFFFAOYSA-N	301.302	1.935	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1c(F)ccc2sc(C(=O)O)cc12	1776055051	VRBOJXNHNHZCNG-UHFFFAOYSA-N	324.333	1.960	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1cccc(C(F)(F)F)c1	16129866	KKJRRKXTDIFTCY-UHFFFAOYSA-N	312.269	1.645	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]1c1cccc(F)c1F)[C@@H]1CCCO1	160523015	LLTFEKVMGNLTAN-NHCYSSNCSA-N	310.300	1.395	50	20	DDGD	
CCCn1nc(C)c(/C=C(/C#N)C(=O)NCCCOC)c1C	160698174	XZKSWZAAGTWUSS-UVTDQMKNSA-N	304.394	1.970	50	20	DDGD	
O=C(NNc1cccc(F)c1)Nc1ccc2c(c1)C(=O)NC2=O	163105427	ZBTJAQOAMIHPBL-UHFFFAOYSA-N	314.276	1.858	50	20	DDGD	
CC(C)Oc1cncc(C(=O)NNC(=O)c2cccn2C)c1	157311988	VENUAZNMMAPELN-UHFFFAOYSA-N	302.334	1.282	50	20	DDGD	
COc1ccc(C(F)(F)C(=O)NNC(=O)c2cccnc2)cc1	157790022	DSJATZGYWULDBW-UHFFFAOYSA-N	321.283	1.643	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCC(=O)Nc1ccc(Cl)cc1	159126404	SPGDLHCMLKXQOB-KTKRTIGZSA-N	307.737	1.839	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1O	159363442	WUIRABYZJYBNTP-UHFFFAOYSA-N	318.245	1.966	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)C1(N(C)C)CCC1	862287246	JSYVQZJLVPCYBY-UHFFFAOYSA-N	305.378	1.771	50	20	DDGD	
COC[C@H](C)NC(=S)NNC(=O)c1ccc2ccccc2n1	8356461	ABABZWWOHWHOQX-JTQLQIEISA-N	318.402	1.379	50	20	DDGD	
Cc1ccc(C)c(OCCC(=O)NNC(=O)Cc2cc[nH]n2)c1	106417840	WBYUPEXWLJIUFH-UHFFFAOYSA-N	316.361	1.186	50	20	DDGD	
Cc1cccc(CC(=O)NNC(=O)COc2ccc(C#N)cc2)c1	102633038	HOQXPOWREYBECW-UHFFFAOYSA-N	323.352	1.636	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCCCN1CCCC1	10579704	ZGAJCHXZPRRXDO-UHFFFAOYSA-N	322.384	1.185	50	20	DDGD	
CCc1nc(CC(=O)NNC(=O)c2cccc(C#N)c2)cs1	103400670	OCNDFKHQXMTXHR-UHFFFAOYSA-N	314.370	1.581	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CCOc2ccc(C=O)cc2)n1	109252164	PYMDGMJRTWTWKR-UHFFFAOYSA-N	314.345	1.818	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CC(C)(C)C)ccc1[N+](=O)[O-]	103197157	AYPMKTJCCGKGBQ-UHFFFAOYSA-N	309.322	1.801	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)Cc1cccnc1)c1ccncc1	176391819	XXXJVZGFICPGSZ-CQSZACIVSA-N	313.361	1.501	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1	112274353	KXAOSGQEJHYBRS-OLZOCXBDSA-N	323.437	1.609	50	20	DDGD	
COc1cccc([C@@H](C)C(=O)NNC(=O)Cc2ccncc2)c1	175794730	MZVOLJWGMROMSK-GFCCVEGCSA-N	313.357	1.584	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCc1ccccc1F	177064542	BXLKFHLXLWMKAX-UHFFFAOYSA-N	302.309	1.294	50	20	DDGD	
CC(=O)c1cccc(O[C@H](C)C(=O)NNC(=O)NC2CC2)c1	68791107	BJMCPERCCRPPEX-SNVBAGLBSA-N	305.334	1.149	50	20	DDGD	
C[C@@H]([C@@H](C)N(C)S(=O)(=O)CCCCCl)S(C)(=O)=O	154204928	JUVWKBNVOHCLGV-ZJUUUORDSA-N	319.876	1.089	50	20	DDGD	
Cc1noc(C)c1CCC(=O)NNC(=O)Cc1ccccc1F	66784805	WZTQGFSMHJCSAF-UHFFFAOYSA-N	319.336	1.753	50	20	DDGD	
O=C(CSCc1ccncc1)NNC(=O)NCc1ccco1	65175770	FPJFZCFPSHQCJV-UHFFFAOYSA-N	320.374	1.438	50	20	DDGD	
C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NNC(=O)CC(C)C	25635765	LWQVBEIIEBAENV-LBPRGKRZSA-N	315.373	1.695	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@](C)(C(N)=O)c1cccc(Cl)c1	178971113	JSQGMEBNPQJWQR-FEAKQIBJSA-N	321.764	1.601	50	20	DDGD	
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NNc1nc(C)cc(C)n1	68632952	QUBYJMAXMNUSKP-GZMMTYOYSA-N	308.386	1.023	50	20	DDGD	
C[C@@H](COCC(F)(F)F)NC(=O)NNC(=O)OC(C)(C)C	65483173	KNGMWSSTDSEJGW-ZETCQYMHSA-N	315.292	1.693	50	20	DDGD	
COc1ccc([C@@H]2CCCN2CC(=O)NNC(=O)C2CC2)cc1	112975820	GOPRYCDTEMAEJH-HNNXBMFYSA-N	317.389	1.390	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1ccc(Cl)nc1	65204431	PTAMOGFXFPDJPW-UHFFFAOYSA-N	324.793	1.983	50	20	DDGD	
O=C(NCCc1ccc(Cl)cc1)NNC(=O)[C@@H]1CCCO1	125292271	XBQCMUQRCHTQHF-LBPRGKRZSA-N	311.769	1.392	50	20	DDGD	
O=C(CSc1nnnn1C1CCCC1)NNc1ccncc1	180505493	CVXGSWIDAOMAHX-UHFFFAOYSA-N	319.394	1.419	50	20	DDGD	
Cc1nn(C)c(=O)c(C(=O)NNc2ccccc2Cl)c1C	124279165	DGQVPSHSNQPXTQ-UHFFFAOYSA-N	306.753	1.807	50	20	DDGD	
CC1(C)C[C@@H](NC(=O)NNC(=O)Cc2ccncc2)C(C)(C)O1	181835708	VJNIHXKAGWNZAF-GFCCVEGCSA-N	320.393	1.301	50	20	DDGD	
Cc1ccc(C[C@H](C)C(=O)NNC(=O)Cc2cccnc2)cc1	181205543	IKNVWEVDSAXRGL-AWEZNQCLSA-N	311.385	1.959	50	20	DDGD	
Cc1nc2ccc(NC(=O)NNC(=O)Cc3cc[nH]n3)cc2o1	183535200	FXCHIKLBTBVHPH-UHFFFAOYSA-N	314.305	1.255	50	20	DDGD	
O=C(NCCOc1ccc(F)c(F)c1)NNc1cccnn1	77663217	BJUIFZPOCOPWGK-UHFFFAOYSA-N	309.276	1.460	50	20	DDGD	
CC[C@@H](C)[C@H](C)C(=O)NNC(=O)Cc1nc2ccccc2n1C	183343039	LPIGDHUUDFXYDA-NEPJUHHUSA-N	316.405	1.945	50	20	DDGD	
CC(C)Oc1ccc(CNC(=O)NNc2cccnn2)cn1	77345385	IDXVIJUMDHKZEX-UHFFFAOYSA-N	302.338	1.485	50	20	DDGD	
CCOCc1cccc(NC(=O)NNC(=O)c2cnn(C)c2)c1	184751797	NQXJBNHYFGCNBY-UHFFFAOYSA-N	317.349	1.423	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@H]2CCCN2CC)cc1	74496044	GNGGIILHPYJJLG-OAHLLOKOSA-N	318.421	1.677	50	20	DDGD	
CCCNC(=O)CCC(=O)NNc1ccc(C(F)(F)F)nn1	123945495	VGOYTYHSDHAQKD-UHFFFAOYSA-N	319.287	1.245	50	20	DDGD	
COc1ccnc(NNC(=O)NCCc2cc(C)cc(C)c2)n1	77874152	XGXUEDNXMDPJAI-UHFFFAOYSA-N	315.377	1.971	50	20	DDGD	
CN(C)CC(=O)NNC(=O)CCCc1csc2ccccc12	131025928	FFEGKIXVJLPBDG-UHFFFAOYSA-N	319.430	1.933	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(Cl)nc(N)n1)N1CCCCCC1	182633350	ROMABRIMMIYWFB-VIFPVBQESA-N	312.805	1.420	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNc2ccccc2[N+](=O)[O-])C1	133024962	ZUSUWXGKXIRDKV-JTQLQIEISA-N	306.322	1.296	50	20	DDGD	
CCN(CC)C(=O)CCCNC(=O)NNC(=O)c1ccc(C)o1	84153306	INRSVNAKCBKOAP-UHFFFAOYSA-N	324.381	1.181	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cccc(F)n2)cc1	138514583	UNYPQHDCWKNINY-UHFFFAOYSA-N	317.320	1.623	50	20	DDGD	
Cn1c(C(=O)NNC(=O)c2ccncc2)cc(Cl)c1Cl	192752902	VNHSZDLRJUPTRH-UHFFFAOYSA-N	313.144	1.802	50	20	DDGD	
N#C/C(C(=O)Cn1cnnc1C#N)=C1\Nc2ccccc2S1	198605202	ZIQQTBLUKCTDDZ-ZROIWOOFSA-N	308.326	1.672	50	20	DDGD	
CN(C)c1ccnc(C(=O)NNC(=O)Cc2ccc(F)cc2)c1	195246677	RWKSOIHAXFCQFQ-UHFFFAOYSA-N	316.336	1.290	50	20	DDGD	
COc1nccnc1NNC(=O)CCCOc1ccc(F)cc1	131996449	HTNQVYFSIZXXQW-UHFFFAOYSA-N	320.324	1.927	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC(C)(C)c2ccncc2)o1	92363944	MWNDWLPIBDBHEK-UHFFFAOYSA-N	316.361	1.905	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cccn2C)c(C(C)(C)C)n1	92235147	GJHLJXZLOLYDFY-UHFFFAOYSA-N	303.366	1.131	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccncc2)[nH]c2c1C(=O)CCC2	268952838	ILGSFZHPUBJSJY-UHFFFAOYSA-N	312.329	1.312	50	20	DDGD	
CO[C@@H](C)CCNC(=O)NNC(=O)c1cccc(N(C)C)c1	263826003	ZPJVSSBTOSNFIT-NSHDSACASA-N	308.382	1.122	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1C1CCCC1)c1ccccc1F	269658720	JOJSEWAOORXFBC-HNNXBMFYSA-N	319.380	1.994	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C(=O)C(C)(C)C)cc1OC	265395237	FSXBUNWYEFOMAD-UHFFFAOYSA-N	322.361	1.470	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)n1	268115818	DSGGFCOERQPSNK-ZANVPECISA-N	304.398	1.202	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(OC)c(Cl)cc1OC	273385954	FQUKYQBXRVSZED-UHFFFAOYSA-N	317.729	1.156	50	20	DDGD	
CC[C@@H]1C[C@H](CC(=O)NNC(=O)Cc2cccnc2)CCO1	273206191	OQXFQHLTXRJVEP-TZMCWYRMSA-N	305.378	1.367	50	20	DDGD	
CC(C)(C)[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1ccco1	276719823	BFAKZEOPTAXCAF-RYUDHWBXSA-N	309.366	1.561	50	20	DDGD	
CNC(=O)c1ccc(C)c(NC(=O)NNC(=O)CC(C)C)c1	273314335	IXMMSTDEPBAJOM-UHFFFAOYSA-N	306.366	1.553	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)N[C@@H]1CCC[C@H]1CCO	275321212	DOPIJCFCKLJNQC-VHSXEESVSA-N	321.406	1.869	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccncc1Br	276055690	PVJHGJITXCIGQU-UHFFFAOYSA-N	316.159	1.542	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C#N)cc1Cl	274046540	HNNZLMWOLXPSJY-QMMMGPOBSA-N	322.752	1.344	50	20	DDGD	
CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)c1ccc(C#N)cc1	274647076	GMKPUYCEQHDKNR-NSHDSACASA-N	302.378	1.486	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc(OC)c(OC2CCCC2)c1	273035890	HIPBHJKJQOSFIG-UHFFFAOYSA-N	307.350	1.590	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CCC(=O)C[C@H]2C)c1	272790376	HJEQNEVUDIFLTQ-QMTHXVAHSA-N	304.346	1.922	50	20	DDGD	
Cn1nc([C@H]2CCCO2)cc1NC(=O)NNC(=O)C(C)(C)C	278622124	BCOPBZVPISQLFZ-SNVBAGLBSA-N	309.370	1.470	50	20	DDGD	
N#CC1=CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1	371845731	HYXOYSUUFWBTTP-UHFFFAOYSA-N	303.406	1.704	50	20	DDGD	
COCCc1ccccc1NC(=O)NNc1nccnc1OC	276128279	YAYQJTOKEVDOQR-UHFFFAOYSA-N	317.349	1.823	50	20	DDGD	
CCCOc1cccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)c1	273657992	GDPWPVAUWRHIQD-UHFFFAOYSA-N	321.377	1.607	50	20	DDGD	
CN1CC[C@H]2CCN(C(=O)/C(C#N)=C\c3ccc(O)cc3)[C@@H]2C1	280279518	PFZVNYLWULTJOF-LZRUTDMSSA-N	311.385	1.852	50	20	DDGD	
COC(=O)N(C)NC(=O)CCCOc1cccc(C(C)=O)c1	286315843	KRKICZXKCAURJB-UHFFFAOYSA-N	308.334	1.778	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1	371359574	KLAFRRZVCLEBAL-STTHAQSSSA-N	311.341	1.902	50	20	DDGD	
COC(=O)NCCCC(=O)NNC(=O)Nc1ccccc1C	281390792	XYTDKLFZIALHRB-UHFFFAOYSA-N	308.338	1.284	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@]12CCCC[C@H]1CNC2	285683840	JUBAKDPRGVPKIA-XHDPSFHLSA-N	304.350	1.818	50	20	DDGD	
COc1ccnc(NNC(=O)C[C@H]2COc3ccccc3O2)n1	294469946	SRGDDHWCOIQSAN-JTQLQIEISA-N	316.317	1.158	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)co1	802095580	KBWBNOCDMCZELK-UHFFFAOYSA-N	303.274	1.783	50	20	DDGD	
O=C(COC1CCOCC1)NNc1nccnc1C1CCC1	805467497	ZFTZDUAVSPHMED-UHFFFAOYSA-N	306.366	1.383	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc([N+](=O)[O-])cn1	805379634	KFZSVXNIAQOJJB-UHFFFAOYSA-N	317.261	1.963	50	20	DDGD	
C[C@H](CO)N(CC1CCC1)S(=O)(=O)CBr	800940855	OMWVJXDARLWXSM-MRVPVSSYSA-N	300.218	1.152	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2ncncc2Cl)cn1C1CC1	807323844	VCVOPLBKYOMSTC-UHFFFAOYSA-N	319.752	1.692	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1cccc(OC/C=C/C)c1	294307614	JACHVGPBDRJRME-HWKANZROSA-N	319.430	1.865	50	20	DDGD	
CCOc1ccc(CNC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	297225394	MYNWSPBJJYQLLO-AWEZNQCLSA-N	321.377	1.485	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1[N+](=O)[O-]	292261116	YPUSFMFYFNFZKM-ZDUSSCGKSA-N	321.333	1.658	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)Cc1ccc(F)cn1	807079470	GEESPZFZQICGOY-UHFFFAOYSA-N	301.321	1.462	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)c2ccco2)cc1	801109292	YKNXHZGDKWNCRD-LLVKDONJSA-N	315.329	1.478	50	20	DDGD	
CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	293965257	RJUGWUPISOBRKI-CFVMTHIKSA-N	320.389	1.867	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1cnc(C)nc1C	808028245	CZZJBNFCUFNYCI-UHFFFAOYSA-N	318.308	1.776	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)[C@H]1CCCCO1)c1ccccc1	296495744	BPCLIFAOWKOVIP-TZMCWYRMSA-N	305.378	1.690	50	20	DDGD	
CCOCCCC(=O)NNC(=O)CNc1ccccc1OC	298520825	YJUQSKINPXLQIU-UHFFFAOYSA-N	309.366	1.071	50	20	DDGD	
CCn1nc(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1C1CC1	292585703	CSCJSXDYIWZJAM-CABZTGNLSA-N	321.381	1.501	50	20	DDGD	
O=C(Cc1cc(F)cc2c1OCOC2)NNC(=O)CC1CC1	294152516	MMTOCGXUUKTXQD-UHFFFAOYSA-N	308.309	1.182	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)C2CCN(c3ncccn3)CC2)C1	814837050	FTYGZPTUSPYFAI-LBPRGKRZSA-N	301.394	1.985	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc2[nH]ccc2c1	811642930	LKFYVTFWEJRDJW-UHFFFAOYSA-N	300.362	1.923	50	20	DDGD	
Cc1cc(C#N)cnc1C(=O)NNc1ccc2c(=O)[nH]ccc2c1	816602166	LKHHLDXCHGMSKB-UHFFFAOYSA-N	319.324	1.860	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1nnc(O)c2ccccc12)C(C)(F)F	814730865	VLYBJFJRBRUNQL-ZETCQYMHSA-N	324.287	1.388	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cnc3ccccc3c2)n1	816827520	VWEFOJODZMAZNJ-UHFFFAOYSA-N	323.356	1.509	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=Cc1nccs1	814766936	UCIXUNJOSGWQDB-QJPTWQEYSA-N	310.423	1.339	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=O)c2ccccc2F)C1	816814538	UNKDGFAFAOSFDP-SKDRFNHKSA-N	316.336	1.676	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc(N)nc1	814701328	VIEYFTIIYMJGDZ-AWEZNQCLSA-N	312.329	1.344	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1cn(C)nc1C1CC1	813061781	RYYXKSWAECMMLW-UHFFFAOYSA-N	312.373	1.610	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cn(-c2ccc(Cl)cc2)nn1	819118327	RBBLYOYGKODDAT-UHFFFAOYSA-N	319.752	1.482	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1ccccc1-n1cnnn1	817007007	JJAHSXSOZCWMLQ-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
CC(=NNC(=O)c1ccc(C)o1)c1ccc(-c2nn[nH]n2)cc1	819773584	VSDLFJLAFSIHKT-UHFFFAOYSA-N	310.317	1.922	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cncnc1-c1ccccc1	810179430	RAZGJLXBKKTESK-UHFFFAOYSA-N	324.262	1.857	50	20	DDGD	
CCc1[nH]nc(C(=O)NNc2cccc(Cl)n2)c1[N+](=O)[O-]	817005178	IGMUFZQPVPNWRZ-UHFFFAOYSA-N	310.701	1.686	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1ccc2c(c1)CCCC2=O	816596159	RFOVXUHESAUBEI-UHFFFAOYSA-N	324.340	1.489	50	20	DDGD	
O=C(NN=Cc1cccc2cccnc12)[C@H]1CCS(=O)(=O)C1	818269950	RHHQBECILNWSPZ-ZDUSSCGKSA-N	317.370	1.120	50	20	DDGD	
CCc1nc(C=NNC(=O)COc2ccccc2O)cs1	814951602	LJLBDKYBMHTDMM-UHFFFAOYSA-N	305.359	1.940	50	20	DDGD	
CN(NC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)C1CC1	819646187	MYTQAAYQMKMDSU-ZDUSSCGKSA-N	307.781	1.818	50	20	DDGD	
CCCCC(=O)N1CSC[C@@H]1C(=O)NCC(Cl)Cl	819794568	MODQUDUPSLAADE-MRVPVSSYSA-N	313.250	1.998	50	20	DDGD	
CC[C@H](C)[C@@H](C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	825050455	JRMPXJILKAEPGM-VHSXEESVSA-N	316.365	1.310	50	20	DDGD	
C=CCOCC(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	729511655	PIBUORAOZTYEFX-UHFFFAOYSA-N	300.318	1.040	50	20	DDGD	
C[C@H](OCC1CC1)C(=O)NNc1nc(-c2cccnc2)no1	728074900	OAULHDVZUPZGDT-VIFPVBQESA-N	303.322	1.390	50	20	DDGD	
CC(C)CCOc1ccc(NC(=O)NNC(=O)C(C)C)nn1	825519567	HYRKAQCQGMUIHT-UHFFFAOYSA-N	309.370	1.710	50	20	DDGD	
CNC(=O)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1	491011712	XIVDHLJJXXDHRG-NSHDSACASA-N	322.365	1.213	50	20	DDGD	
CCN(CCO)NC(=O)CCc1nnc(-c2ccccc2)o1	823838152	LUPKRTXATIUVEX-UHFFFAOYSA-N	304.350	1.015	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1CCCC(=NNC(=O)C(C)(C)O)C1	496171181	OVZOSESTZNFJLW-JTQLQIEISA-N	313.398	1.697	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)CNC(=O)OC(C)(C)C)C1(C)C	494538714	JMNLSVMEHMMRIO-NSHDSACASA-N	313.398	1.818	50	20	DDGD	
CCCN(NC(=O)[C@H](NC(C)=O)C(C)C)C(=O)OC(C)(C)C	495763735	ZPQSJHPRFGQPKV-GFCCVEGCSA-N	315.414	1.825	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)/C=C\OCC)cc1OC	492796088	GOEYXXWBCLZVAW-NTMALXAHSA-N	322.361	1.795	50	20	DDGD	
C=CCNC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1cccc(OC)c1	729272670	VDLLQLSTDLPIRL-CJAAZZPWSA-N	314.341	1.836	50	20	DDGD	
O=C(/C=C/c1ccc2[nH]ccc2c1)NNC(=O)Cc1cccnc1	492319568	NQMLVVKJZXJFRJ-GQCTYLIASA-N	320.352	1.966	50	20	DDGD	
CC(C)n1cc(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)nn1	491050655	QAGIRSJWZUKRKU-QPEQYQDCSA-N	311.345	1.788	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNC(=O)C2CC2)CCN1C(=O)OC(C)(C)C	492666904	BSKKEVXVBQNBDW-MWLCHTKSSA-N	311.382	1.189	50	20	DDGD	
CC1(C)[C@@H](c2ccccc2)CCN1C(=O)c1ccc(B(O)O)cc1	585001700	ZAYZYOYNYOLZBE-QGZVFWFLSA-N	323.201	1.775	50	20	DDGD	
C[C@]1(C(=O)NCCCNc2ncccn2)C[C@@H]1Br	906447981	JGDCJSBLPMDJKC-CABZTGNLSA-N	313.199	1.568	50	20	DDGD	
CCn1cc(C=NNC(=O)CCNC(=O)OC(C)(C)C)cn1	495088890	SZAITKKOOJEZIP-UHFFFAOYSA-N	309.370	1.268	50	20	DDGD	
CCOc1ccc(OCCCC(=O)N2CC[C@H](B(O)O)C2)cc1	585073973	GXSXBAVZLLKYQR-ZDUSSCGKSA-N	321.182	1.320	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2cnc3n2CCOC3)c(O)c1	905436366	LFSWSOYLKGNFIQ-UHFFFAOYSA-N	300.318	1.191	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN(C)[C@H](C)CO	823940249	VNSCKRGZGBEJJJ-TUAOUCFPSA-N	317.430	1.270	50	20	DDGD	
CN1C[C@@H](N(C)C(=O)/C(C#N)=C/c2ccc(F)cc2)CCC1=O	491008103	HJJDVGOFVUJODT-GLNPCMGASA-N	315.348	1.812	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H]1CCCC(=O)N1C	908032539	PGNOJHHLUKCBAY-NSHDSACASA-N	323.324	1.066	50	20	DDGD	
O=C(NN=Cc1cnn(C2CCC2)c1)c1ccc(O)c(O)c1	901234947	BLYOKLJIJPUQSF-UHFFFAOYSA-N	300.318	1.783	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2C[C@H]2c2ccccc2F)c(F)c1	585045449	BDAWIINIFKHRAO-XJKSGUPXSA-N	303.117	1.290	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)NC(C1CCC1)C1CCC1	836455324	IIMZLSGQXQJXRX-CYBMUJFWSA-N	309.410	1.855	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCCC2(CCCC2)CC1	585005745	DZDGWDYECAMUFK-UHFFFAOYSA-N	319.185	1.692	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C	730073559	OEQNJUTXQPQARB-JTQLQIEISA-N	315.439	1.128	50	20	DDGD	
CC[C@H](C)c1nc(C)c(CC(=O)N2CC[C@H](B(O)O)C2)c(C)n1	585063710	FXEZJBVRYXTNDP-GWCFXTLKSA-N	319.214	1.225	50	20	DDGD	
C[C@@H](NCc1cccc(B(O)O)c1)[C@H](c1ccccc1)N(C)C	585036324	HLWIYUHTWUNQNJ-RDTXWAMCSA-N	312.222	1.147	50	20	DDGD	
CC(C)CC(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc21	916342831	RFBHILBRKQEUGC-UHFFFAOYSA-N	312.366	1.870	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)[C@H]1C[C@H]2CC[C@H]1O2	834932577	IWCGVMKZVMCOBO-ZGKBOVNRSA-N	309.410	1.014	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCC[C@@H]1CC	830189990	GMQYVEJWKILUNI-NWDGAFQWSA-N	300.399	1.749	50	20	DDGD	
C[C@H]1CC(C)(C)CN1CC(=O)NNC(=O)c1ccc(F)cc1	839659748	HIWPLSBLRWTIHX-NSHDSACASA-N	307.369	1.707	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H](C)Cc2cnn(C)c2)nc1	836632411	LUBCRVHDXCMLRS-JTQLQIEISA-N	304.354	1.081	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)c1cncn1-c1ccccc1	749874906	RQBDZIOWAFNUDM-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2nc(C(C)(C)C)n[nH]2)o1	838754808	PHZWKXDBPHUUOV-UHFFFAOYSA-N	320.353	1.148	50	20	DDGD	
CN(C)c1ccc(NC(=O)NN=Cc2ccc(C(=O)O)[nH]2)cc1	749814416	OPFLIPSALSMHTF-UHFFFAOYSA-N	315.333	1.935	50	20	DDGD	
COc1ccc(C)cc1C=NNC(=O)[C@@H](C)CN1CCOCC1	744762598	YKTSBOIFUMSVNH-AWEZNQCLSA-N	319.405	1.422	50	20	DDGD	
C/C(=C/c1ccc(C)cc1)C(=O)NNC(=O)CN1CCCC1=O	913732482	YDCXPRNNWFGHGY-RAXLEYEMSA-N	315.373	1.168	50	20	DDGD	
CC(=O)c1cccc(OCC(=O)NNC(=O)C2CCCC2)c1	914842413	DBDZCNFAUKUJRV-UHFFFAOYSA-N	304.346	1.606	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])[nH]1	917933431	KJRIEHWHDOKOSR-UHFFFAOYSA-N	313.273	1.479	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCCOCC2CC2)cc1	844966749	SUMSKIWSOGTBNB-UHFFFAOYSA-N	321.377	1.455	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)CCNC(=O)C(C)(C)C)o1	746298402	AEIDMAHFCLNIRD-UHFFFAOYSA-N	321.381	1.665	50	20	DDGD	
Cc1ccc2nnc(CNC(=O)[C@]3(C)C[C@@H]3Br)n2c1	911073410	WIYKUKYJPZTYRE-TVQRCGJNSA-N	323.194	1.827	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCCOC2CCC2)cc1	743567991	DZIWEVJHEYQIEY-UHFFFAOYSA-N	302.334	1.071	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)[C@@H]1CCCS(=O)(=O)C1	845924335	XZDJTBMRGGZLFD-MRVPVSSYSA-N	303.771	1.003	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1cccc(Br)n1	842561985	OOGQPCICJOEJPO-PSASIEDQSA-N	312.167	1.719	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCCC1=NNC(=O)Cc1ccncc1	747643599	KMOAGCAJZAALJM-CYBMUJFWSA-N	309.391	1.084	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)[C@@H]2C[C@H]2C2CCC2)C[C@H](C)O1	846630228	QZWLQMYCVRUENF-NZBPQXDJSA-N	323.437	1.069	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)Cc2c[nH]c3ccccc23)no1	746097392	HTKVYPVTLAPMRB-UHFFFAOYSA-N	312.329	1.397	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)N=c1cc[nH]cc1)[C@H]1CC1(C)C	841593626	IIRZIIGPQASGHO-VXGBXAGGSA-N	305.382	1.664	50	20	DDGD	
COCC1(CC(=O)NNc2ccc(C(=O)OC)c(F)c2)CC1	843902506	WSCOKBVDSCRIGC-UHFFFAOYSA-N	310.325	1.872	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)[C@@H]1CCCS(=O)(=O)C1	845857205	SXRFNAXQOFBZAD-SSDOTTSWSA-N	322.308	1.372	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cn1ccc2ccc(F)cc21	843657299	GRIAWMIZLOUMRR-ZWNOBZJWSA-N	319.336	1.353	50	20	DDGD	
Cc1cnc(CCNC(=O)/C(C#N)=C\c2cnn(C)c2)c(C)c1	848295264	YTIJKPPKAXGWSM-CHHVJCJISA-N	309.373	1.698	50	20	DDGD	
CO[C@H](C(=O)Nc1cccc(NC(=O)NN(C)C)c1)C(C)C	843870459	UTLYTWQEAJGJIT-ZDUSSCGKSA-N	308.382	1.894	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)[C@@]1(Cl)C[C@H]2CC[C@H]1O2	912826658	WTSINQUGYYFUHD-SOCHQFKDSA-N	303.149	1.502	50	20	DDGD	
NC1(CNC(=O)NNC(=O)c2cccc(Cl)c2)CCCCC1	841924596	YPRVFOCSSJPEMC-UHFFFAOYSA-N	324.812	1.946	50	20	DDGD	
Cc1ccc(F)c(OCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	843655730	WGFIZCVUUWOELM-QWRGUYRKSA-N	310.325	1.085	50	20	DDGD	
CC1CCN(C[C@@H](C)NS(=O)(=O)CBr)CC1	849468047	CKYXDASEULVYEW-SNVBAGLBSA-N	313.261	1.379	50	20	DDGD	
COc1ccc(C(=O)NN=C[C@@H](OC)[C@@H]2CCOC2)c(OC)c1	841623883	OUIOYAFHHLEAKW-IAQYHMDHSA-N	322.361	1.471	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc2cc(F)ccc2[nH]1	843975220	QPLMSXABUAITSK-KCJUWKMLSA-N	305.309	1.493	50	20	DDGD	
CN(C)C[C@@H]1CCN(C(=O)NC[C@]2(C)C[C@H]2Br)C1	856952986	NOINQJLJJYLDIV-LOWVWBTDSA-N	318.259	1.753	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNC(=O)c2cccnc2)s1	920288536	XCVBIPZXKPKZNE-UHFFFAOYSA-N	304.375	1.910	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)c1ccc(N)cc1)OCO2	758868941	MYVWOIINFBORCK-UHFFFAOYSA-N	313.313	1.770	50	20	DDGD	
CC(C)(C)c1ccccc1OCC(=O)NNC(=O)c1cc[nH]n1	855362087	NDDHRONJMVYNFG-UHFFFAOYSA-N	316.361	1.547	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CC2CCCC2)c(=O)n(C)c1	757716887	YCRZTHAZLZSDBT-UHFFFAOYSA-N	306.366	1.427	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNC(=O)C3CCCC3)(CC1)C2	758016780	VENFVLNCVURXHW-UHFFFAOYSA-N	308.378	1.448	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=Cc1ccc(O)c(O)c1	750944782	BIIMXVHGQIUQBJ-UHFFFAOYSA-N	319.342	1.039	50	20	DDGD	
CC(=O)N[C@](C)(C(=O)NNC(=O)Cc1ccc(F)cc1)C(C)C	929330472	HBFJNQTXCRZGEF-INIZCTEOSA-N	323.368	1.066	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C=NNC(=O)[C@@H]1CCCCO1	853353068	PGKXFJIKZDVEME-AEGPPILISA-N	320.393	1.559	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@@H]1CCC[C@H]2OCC[C@@H]12	856878676	YHMOBVHHYDLTFV-HBNTYKKESA-N	311.773	1.714	50	20	DDGD	
CO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(C#N)cc2)C1(C)C	753426080	SFVQXFSTOBZNSR-CHWSQXEVSA-N	316.361	1.316	50	20	DDGD	
CCS(=O)(=O)CCCNC(=O)NNc1cc(F)ccc1C	854177989	FHPFHZVJJSJGKU-UHFFFAOYSA-N	317.386	1.585	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc2nc(O)oc2c1)C1CC1	855103756	ZEMQVCJTJLCBFF-ZETCQYMHSA-N	320.374	1.441	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1cnc2c(c1)CCCC2	757994926	JKGLJTYVQCOBGK-UHFFFAOYSA-N	311.345	1.822	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cccc(OC[C@H]2CCCO2)c1	755720494	OCOFTVNNXBABTP-CYBMUJFWSA-N	307.350	1.807	50	20	DDGD	
CC(Cc1ccc(O)cc1)=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	853390082	KTZPDLLNAACTNI-ZBFHGGJFSA-N	317.389	1.290	50	20	DDGD	
C[C@@]1(CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3)C[C@@H]1Br	857105172	GDKWWIVOKBGIRO-BLFANLJRSA-N	316.243	1.696	50	20	DDGD	
C[C@]1(CNC(=O)c2csc(CN)n2)C[C@H]1Br	857007144	GMBHZKGOZBPGED-GMSGAONNSA-N	304.213	1.505	50	20	DDGD	
CC(C)CO[C@H](C)C(=O)NNc1ccc(C(F)(F)F)nn1	755191550	IUDSVVWRNLJDPS-MRVPVSSYSA-N	306.288	2.000	50	20	DDGD	
C[C@@]1(CNC(=O)c2cnn3ncccc23)C[C@H]1Br	857394951	PWPZPYBJRBDSPK-PWSUYJOCSA-N	309.167	1.633	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(C)cc1Br	755392282	IKYPJBZUNCGLLG-UHFFFAOYSA-N	316.155	1.557	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NNc1nccnc1C1CCC1	854459481	KAUNBPSTUAUMJO-VXGBXAGGSA-N	312.377	1.724	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=S)N[C@H](C)C2CC2)c1C	855101980	ZVRYHJOAESCREH-MRVPVSSYSA-N	309.439	1.427	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1cccc(F)c1F	868736993	VANBMVCBLBVACA-WCBMZHEXSA-N	313.304	1.220	50	20	DDGD	
Cc1ccc2sc(C(=O)NNC(=O)[C@H]3CCC(=O)N3)cc2c1	862463050	XFKBFEFGJUCVPA-SNVBAGLBSA-N	317.370	1.249	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)/C=C2/CC[C@@H](C)C2)C[C@@H](C)O1	762786330	BZFJGWPCTQDBLQ-QRLUHVHWSA-N	323.437	1.380	50	20	DDGD	
Cc1c([N+](=O)[O-])cc(C(=O)NNC(=O)CC2CC2)cc1[N+](=O)[O-]	765757278	GHNHJJQBSPYANV-UHFFFAOYSA-N	322.277	1.373	50	20	DDGD	
CCOc1ccc(NCc2ccccc2B(O)O)c2ncccc12	864033994	QDWQTHDFTUTHBM-UHFFFAOYSA-N	322.173	1.925	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(C(=O)OC)cc1CC	932820053	ZZIBAZFKOMKWAN-UHFFFAOYSA-N	322.365	1.733	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H](O)c2ccccc2Cl)n1	764674106	CMZSOLBMYDHYKK-GFCCVEGCSA-N	306.753	1.924	50	20	DDGD	
CCN1C(=O)C(=NNC(=O)c2cc(C)[nH]n2)c2cc(C)ccc21	764792816	FRKILBTYJKNZST-UHFFFAOYSA-N	311.345	1.527	50	20	DDGD	
CCc1noc(CCCC(=O)NNC(=O)c2cc(C)cs2)n1	862477882	PIJKRMRHDUZXJT-UHFFFAOYSA-N	322.390	1.786	50	20	DDGD	
Cc1nn2c(C=NNC(=O)Cc3ccncc3)c(C)nc2s1	765581489	QQMKRNWKQVRTGI-UHFFFAOYSA-N	314.374	1.495	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)n[nH]1	869013195	QDORLEYZMXUKMY-KGLIPLIRSA-N	316.336	1.351	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2Cc3ccccc3S2)n[nH]1	765587490	LQDGFRBBGNBKCG-GFCCVEGCSA-N	302.359	1.196	50	20	DDGD	
COc1ccc2c(c1)[C@H](C(=O)NNc1nc3ccccn3n1)CC2	762338707	HOBYDYUCLZXTCE-CYBMUJFWSA-N	323.356	1.911	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C=NNC(=O)c2ncccn2)c1C	863120891	VAPHOQIGLRIWGB-UHFFFAOYSA-N	315.333	1.362	50	20	DDGD	
CSCCCCCCNC(=O)c1cc(B(O)O)ccc1F	863879300	XRITVCGMWHBRDS-UHFFFAOYSA-N	313.203	1.159	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccc2c(c1)-c1ccccc1C2	768261706	NXYLJMYYGYFXHC-UHFFFAOYSA-N	310.353	1.790	50	20	DDGD	
CC(C)[C@@H](C(=O)N1CC=C(C#N)CC1)N1C[C@H](C)O[C@H](C)C1	767178752	VYKHGVMPCGPMFY-LZWOXQAQSA-N	305.422	1.802	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)NC1(C2CC2)CCOCC1	1117128375	BLPLHTIWSKATPW-GFCCVEGCSA-N	311.426	1.117	50	20	DDGD	
Cc1csc(CCC(=O)NNC(=O)c2ccccc2F)n1	766325831	ZTGSTGUWEQPYOD-UHFFFAOYSA-N	307.350	1.984	50	20	DDGD	
O=C(CCCOc1ccc2c(c1)CCC2)NNC(=O)NC1CC1	765117480	GBOMUXISFGPBCJ-UHFFFAOYSA-N	317.389	1.827	50	20	DDGD	
Cn1ncc(C(=O)NNc2nccnc2Cl)c1C(F)(F)F	1116074169	BBQKJNGJFZSDQM-UHFFFAOYSA-N	320.662	1.639	50	20	DDGD	
C=C[C@@H]1OCCC[C@H]1NC(=O)NNC(=O)c1ccc(OC)cc1	1117808266	CSNBAAHSGBXCIO-KGLIPLIRSA-N	319.361	1.373	50	20	DDGD	
C[C@H](C(=O)NNC(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1	761640442	DQCBBJFPNFEADS-JTQLQIEISA-N	320.349	1.971	50	20	DDGD	
C[C@@H](CBr)CN1CCC(N2CCN(C)CC2)CC1	879595438	CHRQFCKKYZYHOT-ZDUSSCGKSA-N	318.303	1.729	50	20	DDGD	
Cc1nc2ccccc2n1CCC(=O)NNC(=O)c1cccnc1	771846682	RMNAXLJQQQPAQW-UHFFFAOYSA-N	323.356	1.591	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2ccc(C(F)(F)F)cn2)CCC1	775257806	XGIFWUPNOXMFGR-UHFFFAOYSA-N	316.283	1.460	50	20	DDGD	
CC(C)[C@H]1CN(CC(=O)NNC(=O)C2CC2)c2ccccc21	773977949	QUCMARURIUAMPI-CQSZACIVSA-N	301.390	1.804	50	20	DDGD	
CN(CCc1ccccc1)CC(=O)NNC(=O)C1CCCC1	873990652	BDBVQVFIMCCTLZ-UHFFFAOYSA-N	303.406	1.499	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2cccc3nccn23)ccn1	771101884	YOQWHIOGMMQUNZ-UHFFFAOYSA-N	308.345	1.559	50	20	DDGD	
Cc1ccc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)c(F)c1	772167688	KSRGZDGNHPFMAL-LLVKDONJSA-N	324.352	1.873	50	20	DDGD	
CC[C@H](COCC(F)(F)F)NC(=O)NN=c1cc[nH]c(C)c1	875631276	ZJZATPSGTLHITE-SNVBAGLBSA-N	320.315	1.796	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(S(C)(=O)=O)c1)n1cccc1	1116479214	NXYWNKCMCSVMRX-LLVKDONJSA-N	307.375	1.596	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1nc(C)n2ccccc12	770245305	DWOHOHNEGKUCBB-UHFFFAOYSA-N	323.447	1.115	50	20	DDGD	
CCC(C)(C)NC(=S)NNC(=O)[C@@H](C)CN1CCCCC1	774149602	JZYPQCVLFNKTLX-LBPRGKRZSA-N	314.499	1.792	50	20	DDGD	
CCc1ccccc1CNC(=O)NNC(=O)C1CCOCC1	883444722	LKECDANAQCLTOG-UHFFFAOYSA-N	305.378	1.506	50	20	DDGD	
C[C@H]1CCCN(C(=O)C(=O)NNc2c(F)cc(F)cc2F)C1	885151812	NUYCMJSUEKYDSZ-QMMMGPOBSA-N	315.295	1.806	50	20	DDGD	
Cn1cccc1[C@H]1CCCN1S(=O)(=O)CBr	782406365	NHEMGZDFJRTHSE-SNVBAGLBSA-N	307.213	1.844	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2C[C@@H]3C[C@]3(CO)C2)cc1	783815247	WYVQUSSZMGDFBI-BTMHNLSZSA-N	312.369	1.833	50	20	DDGD	
Cc1ccc(O)c(C(=O)NNc2ccc(-n3ccnc3)nn2)c1	788175551	UVCDCTHDTHQYNV-UHFFFAOYSA-N	310.317	1.433	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCCc1ccc(O)c(F)c1	786705164	PJVOKXUZZDGOFY-UHFFFAOYSA-N	319.336	1.654	50	20	DDGD	
COc1ccc(NNC(=O)c2cccc([S@](C)=O)c2)nc1	781527947	YDRYTUWJWZHORO-NRFANRHFSA-N	305.359	1.585	50	20	DDGD	
CCOC1CC(CC(=O)NNC(=S)NCCSC)C1	789209553	GJJMHELFTGEACY-UHFFFAOYSA-N	305.469	1.050	50	20	DDGD	
CCC(O)(CC)CCNC(=O)NNc1ncncc1Cl	788119430	DDGJYFMTZSNCIG-UHFFFAOYSA-N	301.778	1.697	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2	785419523	KKSBGJLKFRFWRA-LURQLKTLSA-N	320.246	1.415	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)/C=C/c2cnn(C)c2)c1	781040597	VPZBVKVHICTUNF-VOTSOKGWSA-N	300.318	1.363	50	20	DDGD	
O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NN=c1cc[nH]cc1	780761145	KLVAWDFDAXHDHE-UHFFFAOYSA-N	311.301	1.510	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNc1nnc(-c2ccccn2)s1	788558029	HEUUPRFVHIUQFK-NSHDSACASA-N	318.406	1.528	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cccc2cc(O)ccc12	899236624	UVAAVRGSXKQCSL-UHFFFAOYSA-N	314.341	1.733	50	20	DDGD	
Cc1nnc(NNC(=O)C[C@H]2CCO[C@H](C(C)C)C2)nc1O	782111602	IWEZEOLZUIJCHH-QWRGUYRKSA-N	309.370	1.170	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1cnc(O)c(Br)c1	780762126	ZBTSURSCZRFZSC-UHFFFAOYSA-N	309.123	1.124	50	20	DDGD	
C=C[C@H]1CCCCN1CC(=O)NNC(=O)Cc1nc(C)cs1	785996300	CUVZVZLIHKWXQA-LBPRGKRZSA-N	322.434	1.182	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NC[C@@]2(C)C[C@H]2Br)C(=O)O1	895922904	MIIQVZHMRJKDCY-FBSDJGSXSA-N	305.172	1.163	50	20	DDGD	
Cn1ncc(Cl)c1C=NNC(=O)c1ccc2c(c1)OCO2	780189035	SKTPPZYVWLECJF-UHFFFAOYSA-N	306.709	1.566	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1ccc(C2CCC2)cc1	787541403	REOCTOGMVKTLEO-UHFFFAOYSA-N	303.362	1.696	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2Cc3ccc(F)cc32)nc1	793736436	WSXIHOCYWBJZDB-ZDUSSCGKSA-N	315.304	1.790	50	20	DDGD	
COc1ccc(C)nc1NC(=O)NNC(=O)c1cccc(C)n1	797645401	OKRWFLVPZIMDQM-UHFFFAOYSA-N	315.333	1.569	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1ccnn1-c1ccccc1	799113560	QQGUIEITBLITNJ-UHFFFAOYSA-N	315.333	1.069	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](c1cccnc1)C(C)C	797864114	GORWBCMKYFEKEF-CYBMUJFWSA-N	301.350	1.314	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCC(C3CC3)CC2)c1	794895758	NBRVDJZSGRZBKU-UHFFFAOYSA-N	315.417	1.878	50	20	DDGD	
CCc1cccc2c1OCCC2=NNC(=O)[C@@H](C)OCCOC	794915835	RHZBNSQAUBULTL-GFCCVEGCSA-N	320.389	1.903	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CCc1ccccc1C(N)=O	798124380	RDCPKBZHSUJVFO-UHFFFAOYSA-N	322.434	1.012	50	20	DDGD	
Cc1coc(C)c1C(=O)OCC(=O)NNC(=O)c1ccccc1	792762322	DTRAOBIXZXCZGF-UHFFFAOYSA-N	316.313	1.514	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=Cc2ncc(Cl)n2C)c1	799470426	FCUXHZCDZCDKHC-UHFFFAOYSA-N	322.752	1.855	50	20	DDGD	
Cc1c(CNC(=O)NNC(=O)C2CCCC2)cccc1[N+](=O)[O-]	790563632	FPZNTMPISKDFGZ-UHFFFAOYSA-N	320.349	1.924	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1coc(C2CCC2)n1	798314314	GECSPKAWJQWVQS-UHFFFAOYSA-N	306.244	1.448	50	20	DDGD	
Cc1cccnc1[C@@H]1CCCC(=NNC(=O)C(=O)NC2CC2)C1	799106294	BGLNTTCXFAKOFE-GFCCVEGCSA-N	314.389	1.798	50	20	DDGD	
Cc1ccc(Br)c(C(=O)N2CC[C@H](B(O)O)C2)c1	585063927	KUAVZJWLVVTPIV-VIFPVBQESA-N	311.972	1.446	50	20	DDGD	
O=C(c1cc(F)cc(Br)c1)N1CC[C@H](B(O)O)C1	585069549	PJDXWJFMCAKXKM-QMMMGPOBSA-N	315.935	1.277	50	20	DDGD	
C[C@@H](NC(=O)NN(C)c1ccccc1)c1nnnn1C1CC1	791080754	GALQQFOKCZNVNZ-SNVBAGLBSA-N	301.354	1.420	50	20	DDGD	
Cc1cc([C@@H]2CCCN2S(=O)(=O)CBr)no1	782412986	HGEIWIRFDBUQJW-VIFPVBQESA-N	309.185	1.802	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1318045644	KNTJFEKVHQOCFA-SNVBAGLBSA-N	306.366	1.031	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](C)OC2CCCCC2)n1	1318872681	PRBXHJQLUHIIJP-LLVKDONJSA-N	308.382	1.975	50	20	DDGD	
COc1cccc(C(=O)NNC(=S)NC(C)C)c1[N+](=O)[O-]	1320799106	CJDZCGTZZYCMPM-UHFFFAOYSA-N	312.351	1.121	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H]1CCc2c(O)cccc21	1328142687	DNPATOQGYPPWMR-CWSCBRNRSA-N	319.361	1.135	50	20	DDGD	
Cc1cc2cc[nH]c2cc1NC(=O)C(=O)NNc1cccnn1	1320580455	SRFVLFDNWGUBOE-UHFFFAOYSA-N	310.317	1.348	50	20	DDGD	
C=C[C@@H](COC)NC(=O)NNC(=O)Nc1ccc(OC)cc1	1324643102	CFNASTMEVZXFSO-JTQLQIEISA-N	308.338	1.232	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1cc[nH]n1)c1ccc(F)c(F)c1	1323810678	DCCVFWQRAWPMKR-MRVPVSSYSA-N	308.288	1.182	50	20	DDGD	
CN(Cc1cc(C(C)(C)C)n[nH]1)S(=O)(=O)CBr	1320823091	ZXUUWWBXJNOYLB-UHFFFAOYSA-N	324.244	1.821	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccc(OCC#N)cc2)o1	1320407977	WNSKGJZNKODKMB-UHFFFAOYSA-N	314.301	1.957	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)/C=C\c1ccc2c(c1)NC(=O)CO2	1337063005	UQDLNUGKRUYICY-ALCCZGGFSA-N	317.345	1.224	50	20	DDGD	
Cc1nnsc1C(=O)NNc1ccccc1S(C)(=O)=O	1255602807	QODNYJXVTPGIIC-UHFFFAOYSA-N	312.376	1.007	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@H]1CCc2ccc(C(C)C)cc21	1338499976	AMYQQGFTVGJICG-ZDUSSCGKSA-N	319.361	1.301	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)c1C1CC1	1257501149	RNHGFRJFFXJJRL-UHFFFAOYSA-N	323.356	1.896	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N1CCCOCC1)c1ccccc1	1330752285	HHXFIMOMNKMHJN-UHFFFAOYSA-N	305.378	1.427	50	20	DDGD	
C[C@H](O)C1CN(C(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)C1	1263883323	ICTSVBDYGWDMKU-FIQUKUQUSA-N	302.212	1.779	50	20	DDGD	
CN(NC(=O)Nc1cccc(N2C(=O)CCC2=O)c1)C1CC1	1344864819	ANIKYFNJMCXQDZ-UHFFFAOYSA-N	302.334	1.471	50	20	DDGD	
CC(CS(=O)(=O)c1ccccc1)=NNC(=O)C1CCOCC1	1262038534	PTROPIOIWMLRFW-UHFFFAOYSA-N	324.402	1.379	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)NCCCCC#N)C[C@@H]1Br	1347952197	MULCOUMMEMPOQQ-CABZTGNLSA-N	316.199	1.086	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2CCC[C@@H](F)C2)cc1	1261451278	URUDRMYOHPYNJX-NEPJUHHUSA-N	309.341	1.920	50	20	DDGD	
COC1(OC)CCOC[C@H]1NC(=O)C1CCC(Cl)CC1	1352453240	ZFBHEQDCXIQBDF-HTAVTVPLSA-N	305.802	1.678	50	20	DDGD	
CC1(C)COC[C@@H]1NC(=O)NNc1ccc(C(=O)O)c(F)c1	1609817908	CARUAUZNYGUZFV-NSHDSACASA-N	311.313	1.575	50	20	DDGD	
O=C(NCCc1cccs1)NN=Cc1cc(C(=O)O)co1	1608454595	NVCLPYUDUOFDMH-UHFFFAOYSA-N	307.331	1.915	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)ccc1F	1549317055	JIIRKMCGXUKEJW-WFASDCNBSA-N	321.352	1.148	50	20	DDGD	
C[C@@H]1OCCC1=NNC(=O)[C@H]1CCCO[C@H]1c1ccnn1C	1549320246	NHGBXZDUEWBSMA-COPLHBTASA-N	306.366	1.169	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C[C@H]1CCCO[C@H]1c1nccn1C	1552452074	ASGMBORGWUKVDI-RFQIPJPRSA-N	320.393	1.415	50	20	DDGD	
CC(C)(C)O[C@H]1CS(=O)(=O)C[C@H]1I	158050137	BVBMEOFHWSHQIQ-RQJHMYQMSA-N	318.176	1.402	50	20	DDGD	
O=C(NC1CCN(S(=O)(=O)CCCCCl)CC1)C1CC1	228812238	IEAFDFNPFQRIIR-UHFFFAOYSA-N	322.858	1.326	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1cc(-n2cccc2)ccn1	1574579190	YKNSEDHXQBXYER-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
C[C@@]1(C(=O)NCc2ccc(CCN)cc2)C[C@@H]1Br	1576350472	PGEPLNQHZCCQQY-GXTWGEPZSA-N	311.223	1.978	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@H](N)CCCC#N)cc1	1579735670	YUSBCWXZSDANKI-CYBMUJFWSA-N	320.418	1.256	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)Nc2cc(F)cc(F)c2)CCN1	1579471317	XOGBYBPIKFWZBH-RKDXNWHRSA-N	312.320	1.506	50	20	DDGD	
C[C@]1(Br)C[C@@H]1C(=O)NNc1ncccc1C(=O)O	1589181730	BMNJIHKHGFZIKL-HQJQHLMTSA-N	314.139	1.396	50	20	DDGD	
Cc1oncc1C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1842487460	MNZIAZCUHIFURK-JTQLQIEISA-N	315.732	1.334	50	20	DDGD	
C=C[C@@](C)(CCOC)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1588497250	YOMNHIXEVRXKSK-HNNXBMFYSA-N	316.365	1.539	50	20	DDGD	
C=CCC(=O)N1CCCC12CN(C(=O)[C@H](C)Br)C2	1846377981	MNSNKIPARMITDM-JTQLQIEISA-N	315.211	1.549	50	20	DDGD	
CC[C@H](C(=O)O)C(=O)NNc1ccc(C(=O)OC)cc1OC	1594755386	ILECQWABFZKWNC-VIFPVBQESA-N	310.306	1.036	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(-c2nn[nH]n2)cc1OC	1590748959	UZFRMAOCCNHNKX-NTMALXAHSA-N	314.305	1.258	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(C(=O)O)c(F)c1)[C@H]1CCCNC1	1593102841	XWWYIAADMRGYSP-UWVGGRQHSA-N	324.356	1.538	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)c1	1594288442	QBRFROKTSXWMQO-FRRDWIJNSA-N	318.329	1.022	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1coc(C2CC2)n1	1593165333	CAHAFGGGCYLVTE-UHFFFAOYSA-N	311.305	1.489	50	20	DDGD	
Cn1ncc(C(=O)O)c1CNC[C@@]1(C)C[C@H]1Br	1594579974	BAOFQHOMDOOEBX-MWLCHTKSSA-N	302.172	1.381	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2ccc(C(=O)O)nc2)cc1	1776016280	OCDSZFLIEWZBCA-UHFFFAOYSA-N	312.329	1.650	50	20	DDGD	
CC(=NNC(=O)c1ccc(O)nc1)c1cc(C(=O)O)ccc1O	1776094248	JBSPURJLBIRYLH-UHFFFAOYSA-N	315.285	1.345	50	20	DDGD	
COc1cc(C(=O)O)ccc1C=NNC(=O)[C@@H]1CCCCO1	1776077563	FBFMKMOCVHIXFN-LBPRGKRZSA-N	306.318	1.413	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1[N+](=O)[O-]	1776120388	FVLKCVZPPKTXGA-IZZDOVSWSA-N	301.258	1.502	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1cccc(C(=O)O)c1F	1776120363	DHXMZCMNXXONEU-XFXZXTDPSA-N	320.320	1.974	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)COc2ccccc2)c1	5823490	IWCNNVHMWNXUSP-UHFFFAOYSA-N	314.341	1.600	50	20	DDGD	
CCn1c(NNC(=O)c2ccccc2O)nc2ccccc2c1=O	11156334	SJQWSFJPYFPACD-UHFFFAOYSA-N	324.340	1.879	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CS[C@H]2CCO[C@@H]2C)c1	163757189	RKZPOHZKMNFVHP-YPMHNXCESA-N	308.403	1.667	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc([N+](=O)[O-])cc2)[nH]n1	152158873	DCFRGXFGHHSSLB-UHFFFAOYSA-N	304.266	1.093	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2cccc(OCC(N)=O)c2)c1	152320974	DMLDCOUHOXYUMZ-UHFFFAOYSA-N	310.313	1.179	50	20	DDGD	
COc1cccc(OC)c1CC(=O)NNc1cc(C)nc(C)n1	153955582	SQADKONKFPAWJD-UHFFFAOYSA-N	316.361	1.796	50	20	DDGD	
O=C(Cc1csc(-c2ccoc2)n1)NNC(=O)NCC1CC1	157232599	SYUXMJLTURFEMG-UHFFFAOYSA-N	320.374	1.686	50	20	DDGD	
CCN1CCO[C@H](C(=O)NNc2ccc(C(F)(F)F)cc2)C1	159858132	LQVVLBLGNDFPQM-LBPRGKRZSA-N	317.311	1.869	50	20	DDGD	
CC[S@](=O)c1ccccc1C(=O)NNc1ccc(OC)cn1	159299945	UKXQIPFWLONEEM-JOCHJYFZSA-N	319.386	1.975	50	20	DDGD	
BrC[C@@H](CN1CCN2CCOC[C@@H]2C1)C1CC1	859252196	NCZUYOBTQVFQRR-STQMWFEESA-N	303.244	1.424	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1	7406597	MFYDQTZENDNHQK-OAHLLOKOSA-N	312.325	1.596	50	20	DDGD	
CN1CCC(CCNC(=O)NNc2ccc(Cl)nn2)CC1	103320481	URGAEAVWOGCBJY-UHFFFAOYSA-N	312.805	1.488	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)C(=O)NC2CC2)sc1C	8401398	RDUAVKAEWOPLPF-UHFFFAOYSA-N	309.391	1.049	50	20	DDGD	
Cc1ccc(F)c(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c1	102832477	NLBRNRCMQGPZGB-NSHDSACASA-N	314.382	1.240	50	20	DDGD	
C[C@@H](C(=O)NNc1ncnc2nc[nH]c12)N1[C@H](C)CC[C@H]1C	173949865	VYGQHEDFGMJCPS-BBBLOLIVSA-N	303.370	1.057	50	20	DDGD	
Cn1c(NNC(=O)C2(C#N)CCCC2)nc2ccccc2c1=O	113188789	ZMYOODPPSUWTDW-UHFFFAOYSA-N	311.345	1.461	50	20	DDGD	
NC(=O)c1ccc(CNC(=O)NNc2c(F)cccc2F)o1	176642782	GPUNQWGVASYGFW-UHFFFAOYSA-N	310.260	1.483	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2ccc(C)nc2)cc1	55707282	UXOXISMXAMYJKQ-UHFFFAOYSA-N	313.357	1.792	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccccc2F)c(O)c1	26970901	XVQQFHITMHJUTC-UHFFFAOYSA-N	304.277	1.615	50	20	DDGD	
CC(C)c1ncc(Cl)c(C(=O)NNC(=O)c2cnn(C)c2)n1	117681153	PFOQVDXCPNWTGL-UHFFFAOYSA-N	322.756	1.062	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccncc2)cc1[N+](=O)[O-]	173995015	WPEVEHCVOLRNSX-UHFFFAOYSA-N	314.301	1.627	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2ccc(F)cc2)n1	175160154	SRSQMHODTSECEX-UHFFFAOYSA-N	305.313	1.759	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)ncn1	172274879	VQBCTRXAUZLQOB-NSHDSACASA-N	303.366	1.019	50	20	DDGD	
CSc1nc(C(=O)NNc2cccnn2)c2ccccn12	172366058	WMHRLBNUJYWYBV-UHFFFAOYSA-N	300.347	1.603	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CSc1ncccn1	178617778	VITFUVKPHZOFIE-UHFFFAOYSA-N	316.386	1.267	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=S)Nc1ccccn1	178154830	MMQTZSQESNBKGN-UHFFFAOYSA-N	316.386	1.616	50	20	DDGD	
Cn1ncc([N+](=O)[O-])c1C(=O)NNC(=O)c1cccc(Cl)c1	179493157	GKSDMRSBXPXGHT-UHFFFAOYSA-N	323.696	1.057	50	20	DDGD	
COC(=O)c1ccc(CCC(=O)NNc2cc(C)ncn2)cc1	172279051	GUVWWAHHCYCFMC-UHFFFAOYSA-N	314.345	1.648	50	20	DDGD	
Cc1nn(C)cc1CC(=O)OC[C@@]1(C)C[C@H]1Br	1263536847	FZXJOXNQMGALGK-ZYHUDNBSSA-N	301.184	1.988	50	20	DDGD	
O=C1O[C@@H](C(=O)NNc2cc(Cl)ccn2)Cc2ccccc21	182954252	POAGMXLXUCYBON-GFCCVEGCSA-N	317.732	1.960	50	20	DDGD	
COc1ccc(F)cc1NC(=O)NNC(=O)c1cccn1C	183459626	SPMSCXGMOUHFII-UHFFFAOYSA-N	306.297	1.639	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)Cn2cccn2)c1C	184241606	UAUHIWKSXMMKNY-ZDUSSCGKSA-N	316.361	1.115	50	20	DDGD	
CNC(=O)C1(C(=O)NNC(=O)c2cccc3ccccc23)CC1	122267268	TYUQQQLZHCJGHE-UHFFFAOYSA-N	311.341	1.127	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(NC(C)=O)cc2)n1	180681039	IBKTXOPCHHRTGS-UHFFFAOYSA-N	300.318	1.806	50	20	DDGD	
Cc1cccc2c1N(C(=O)C(=O)NNC(=O)CC(C)(C)C)CC2	126050703	QTNWVYQBXQCNCX-UHFFFAOYSA-N	317.389	1.468	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H]1C[C@@]12CCc1ccccc12	184366875	BZYDTQYUJBREHH-CXAGYDPISA-N	310.357	1.832	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)OC[C@@H]2CCCCO2)nc(C)n1	128924051	HWSRYPWZQQBMTE-AAEUAGOBSA-N	308.382	1.511	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1coc(C)c1	187071370	BHBLASNDXBLCNM-UHFFFAOYSA-N	304.302	1.437	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)c2ccc(C#N)cc2)c(C)o1	182789539	PZQZUMUQFALVCN-UHFFFAOYSA-N	319.342	1.391	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C1CCCCCC1	72077139	GFXRUBHHVQTTTC-HNNXBMFYSA-N	318.373	1.944	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCN1CCC[C@H](C)C1	46382051	BHXVUHOIBUBLBH-ZDUSSCGKSA-N	318.421	1.671	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccc(F)cc1C#N	133253761	CETGMJFCMWJCQH-UHFFFAOYSA-N	302.269	1.645	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Cc1ccc(F)c(F)c1	87357553	SARRMCACNXNSCD-UHFFFAOYSA-N	305.284	1.292	50	20	DDGD	
Cc1cc2occ(CC(=O)NNC(=O)C(C)(C)O)c2cc1C	190061946	QXUWZMHQGYJOTH-UHFFFAOYSA-N	304.346	1.510	50	20	DDGD	
C[C@@H]1CCCN(CCCCNC(=O)NNc2ncccn2)C1	46752527	SKJLTJSNDDPAED-CYBMUJFWSA-N	306.414	1.615	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2nc3ccccn3n2)cc1	191888353	NDZKRKSTQPUHCU-UHFFFAOYSA-N	311.301	1.273	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(Cl)c(Cl)n1C	49167370	SUTFASGCEGLHBK-UHFFFAOYSA-N	323.180	1.312	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc(OCC(F)F)n1	134093587	AKGIQTNIBPOGHO-MRVPVSSYSA-N	316.308	1.924	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C1CCC(O)CC1)c1ccccc1	194293047	DJRUIKUYJXYSIZ-NRXISQOPSA-N	304.390	1.879	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1nc2c(s1)CCCC2	193255452	OQFZUMRXBCEGOP-UHFFFAOYSA-N	324.406	1.154	50	20	DDGD	
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)c1ccc[nH]1	96951185	LUAWRLROTKDFGA-UHFFFAOYSA-N	317.305	1.064	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@@H](C)c1ccc(C)cc1	267164552	JXZRGCNHSBONMY-QWHCGFSZSA-N	323.393	1.438	50	20	DDGD	
Cc1ccc(Br)cc1C(=O)NNC(=O)CN(C)C	266423814	GTGNORIHWUUSEJ-UHFFFAOYSA-N	314.183	1.080	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H](SC)c1ccccc1	265851392	XKPDVXYVYXZCQG-GFCCVEGCSA-N	311.407	1.458	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@H]1CCc2cn[nH]c2C1	266249894	RPTLZPGSTAEWJT-VIFPVBQESA-N	301.306	1.566	50	20	DDGD	
COc1ccc(C(=O)CCC(=O)NNC(=O)N(C)C)cc1F	267546093	BZACBTYYIUBQAD-UHFFFAOYSA-N	311.313	1.100	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCS1)c1cc(-c2ccccc2)n[nH]1	266568938	KUNGZGQKKBJIMP-ZDUSSCGKSA-N	316.386	1.733	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N(C)C[C@@H]1CCCOC1	264590161	VVXZXYPLVIYFGE-LBPRGKRZSA-N	321.377	1.408	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H](NC(=O)NNc2ccc(Cl)nc2)C1	279775364	TVZMGJQBIJMVAV-DTWKUNHWSA-N	312.757	1.703	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NC[C@]1(C)CCO[C@@H]1C1CC1	368658444	IZLALNPLAJKUSD-ABAIWWIYSA-N	313.398	1.931	50	20	DDGD	
CCCCCS(=O)(=O)CC(=O)NNc1cccc(OC)n1	272540163	OWVHDMYUEQNKKX-UHFFFAOYSA-N	315.395	1.138	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cc(N2CCOCC2)ccn1	276777257	UMJLGPQJWMXCDB-UHFFFAOYSA-N	313.361	1.379	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@]2(C)CCO[C@H]2C2CC2)n1	364240729	RPCDMGZKFNVMCB-SWLSCSKDSA-N	321.381	1.317	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H](C)C[S@](C)=O)cccc1[N+](=O)[O-]	273355594	CQMMANFKQYDQLV-PPRQPISWSA-N	314.367	1.296	50	20	DDGD	
N#CC1=CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1	273221074	UYXZLNDGNODKLZ-ZDUSSCGKSA-N	303.318	1.490	50	20	DDGD	
CC(C)(C)OCc1cc(CNC(=O)NNC(=O)C2CCC2)no1	274969490	JAXSHHSCFVJCRZ-UHFFFAOYSA-N	324.381	1.620	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@H]2C[C@H]3CC[C@H]2C3)n1	279925912	MVWDGDNRGWTHRA-RWMBFGLXSA-N	302.378	1.770	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCOC2CCOCC2)c1	272850546	SAABHBIFODJPNK-UHFFFAOYSA-N	322.361	1.502	50	20	DDGD	
CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CC=C(C#N)CC1	279775217	QOTJPZWWUZWDHR-JTQLQIEISA-N	303.284	1.372	50	20	DDGD	
CC[C@@H](C)Sc1ccc(NC(=O)C(=O)NNC(C)=O)c(C)c1	274066594	OGJWAAIDRJQQFV-SNVBAGLBSA-N	323.418	1.991	50	20	DDGD	
CC(=O)N(CCc1ccccc1)CC(=O)N1CC=C(C#N)CC1	272646572	FPPQBJHWUGZGDF-UHFFFAOYSA-N	311.385	1.760	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(OCCOC)cc1	273341809	QQHQPFBZMBCFCS-LLVKDONJSA-N	309.366	1.911	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)nn1	286830641	BOWWZYTVEDGKDQ-ZWNOBZJWSA-N	320.397	1.104	50	20	DDGD	
O=C(C[C@H]1CCCC(=O)N1)NNC(=O)c1cccc(Cl)c1	288080952	HTIBERRUYVSNHS-LLVKDONJSA-N	309.753	1.160	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)c2c[nH]c3ccccc23)O1	282827446	ZCTRMIDTQLXTQI-GPCCPHFNSA-N	301.346	1.742	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCC1([S@](C)=O)CCC1	281676510	ZSCQTSQKRRBUEO-QFIPXVFZSA-N	323.418	1.240	50	20	DDGD	
CC(C)[C@H](NC(=O)NNC(=O)c1ccccc1)c1nncn1C	286502401	KKROGOKKHZHCMT-LBPRGKRZSA-N	316.365	1.156	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@](C)(O)[C@H](C)c1ccccc1	281373697	WUIMXJIIEIOOGV-IAQYHMDHSA-N	307.419	1.222	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H]2CCCc3c(O)cccc32)O1	293948101	PVTANPZNJXXRIP-ZBINZKHDSA-N	318.373	1.527	50	20	DDGD	
C[C@H](NC(=O)C(C)(C)C)C(=O)NNc1nccnc1C1CCC1	805468924	BQCBSZWJVRSOAL-JTQLQIEISA-N	319.409	1.738	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccc[nH]1)c1c(F)cncc1F	807557297	XCIQJAFXONQWEV-SSDOTTSWSA-N	309.276	1.393	50	20	DDGD	
CNC(=O)C1(C(=O)NNC(=O)Nc2ccc(Cl)cc2)CCC1	802018180	DAXKZGCNYPTEIU-UHFFFAOYSA-N	324.768	1.409	50	20	DDGD	
CCOc1ccccc1OCCCC(=O)NNC(=O)N(C)C	299402417	WIEAMSCWJYTLTM-UHFFFAOYSA-N	309.366	1.547	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2ncccc2N(C)C)n1	290881458	DWTRQVXUGUIAAX-UHFFFAOYSA-N	315.381	1.381	50	20	DDGD	
CC[C@H]1CN([C@H](CC)C(=O)NNc2cccc(F)n2)CCO1	804770118	SQVQDTBFYRQRTF-NWDGAFQWSA-N	310.373	1.553	50	20	DDGD	
O=C(NC[C@H]1COc2ccccc21)NNC(=O)C1CCCC1	808296566	RDQSBCSXMWCKCV-LBPRGKRZSA-N	303.362	1.683	50	20	DDGD	
CC(C)(C)c1cnc(CCC(=O)NNc2ncc(F)cn2)o1	801638813	XAUSGBKGUOCNLI-UHFFFAOYSA-N	307.329	1.977	50	20	DDGD	
Cn1cncc1CC(=O)NNC(=O)C(C)(C)c1ccccc1	806824449	NTKJUFSCZXLVBH-UHFFFAOYSA-N	300.362	1.088	50	20	DDGD	
Cc1noc(C(F)F)c1C(=O)NNC(=O)N=c1cc[nH]cc1	802027960	DQOAPMXEIFPWJR-UHFFFAOYSA-N	311.248	1.204	50	20	DDGD	
CC1CCN([C@@H](CNC(=O)NNc2ccncn2)C(C)C)CC1	296561492	KSQSWWVBERDZEP-AWEZNQCLSA-N	320.441	1.859	50	20	DDGD	
CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NNc1ccncn1	295536374	RWAIFDFRLAQMPN-JTQLQIEISA-N	323.422	1.257	50	20	DDGD	
C=CCC(C)(C)C(=O)NNC(=O)CNc1cccc(OC)c1	294995455	HKYLCXSWZODLLZ-UHFFFAOYSA-N	305.378	1.857	50	20	DDGD	
CCOC(=O)C1(CNC(=O)NNc2ncccc2F)CCC1	805147706	SXQGGOZLMNBJKB-UHFFFAOYSA-N	310.329	1.580	50	20	DDGD	
Cc1nccn1CCCNC(=O)NNc1cccc(Cl)n1	293085394	VGFRHXPSTNQKTH-UHFFFAOYSA-N	308.773	1.956	50	20	DDGD	
COCC1(CNC(=O)NNc2ccc(OC)cn2)CCOCC1	293154619	BMRCQAKGHGPIGP-UHFFFAOYSA-N	324.381	1.160	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)c1	802002562	SCNJNKAQIIAUFL-UHFFFAOYSA-N	322.271	1.962	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)NOCC2CC2)c1	297238671	HDTRNNAQFWBMIM-UHFFFAOYSA-N	307.350	1.354	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc(C(=O)N(C)CC)c1	806775458	BEDNJIWTSXXPES-LLVKDONJSA-N	320.393	1.977	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=CC[C@H]1CCCCC12OCCO2	815002280	SVXJCXQZJLGLOT-CYBMUJFWSA-N	318.377	1.934	50	20	DDGD	
CC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1csc(N)n1	812370568	BSOWHOKSDJPASD-UHFFFAOYSA-N	305.319	1.788	50	20	DDGD	
COCCn1c(C)cc(C=NNC(=O)c2cnccn2)c1C	818285059	AJXNZEMOKFLSAK-UHFFFAOYSA-N	301.350	1.305	50	20	DDGD	
CCOc1ccc(NNC(=O)C(=O)Nc2cncc(C)c2)cc1	815817475	USDQAIIYFHCYJO-UHFFFAOYSA-N	314.345	1.871	50	20	DDGD	
O=C(NN=Cc1nc2c(s1)CCC2)C(=O)Nc1ccccn1	814869262	GUKZDBLYCRKPOE-UHFFFAOYSA-N	315.358	1.116	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)cc1)c1ccc(N)nc1	814768161	KUPVLWMRTIXIAE-UHFFFAOYSA-N	311.345	1.451	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)Oc1ccccc1F)c1cc(CO)on1	812224648	GUAZDASAALNUNJ-SNVBAGLBSA-N	321.308	1.614	50	20	DDGD	
O=C(COC(=O)[C@H]1CCCSC1)NNC(=O)c1ccccc1	811410724	BVEAFCRWWXKHIS-LBPRGKRZSA-N	322.386	1.134	50	20	DDGD	
O=C(NNC(=O)c1conc1C1CC1)c1ccc(Cl)nc1	810154821	HDWCWJIXVKAAGN-UHFFFAOYSA-N	306.709	1.675	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)N=c2cc[nH]cc2)oc1C	815000396	KQDJCAPTKSVHLM-UHFFFAOYSA-N	302.290	1.347	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](c2ccccc2)C1	814641693	KCRFSHLNPWMEJZ-UKRRQHHQSA-N	303.406	1.812	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCOCC2)c(F)c1)c1ccc[nH]1	727253193	DOAGDQMPLBDQTH-UHFFFAOYSA-N	316.336	1.754	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@@H]3CCN(C)C(=O)C3)nc12	828366983	FWNOGBKREIBSOW-SNVBAGLBSA-N	318.402	1.916	50	20	DDGD	
Cc1ccccc1CCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	825558936	VBYKXDBGKLRPBZ-GXTWGEPZSA-N	305.378	1.293	50	20	DDGD	
Cn1ncc2c1CCCC2=NNC(=O)CCc1ccccc1O	729934990	VVJXRPBZDRDISV-UHFFFAOYSA-N	312.373	1.915	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccn(COC)n1)c1ccccc1	827184909	JLQVUVNQJIGCDZ-ZDUSSCGKSA-N	316.361	1.442	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H](C)CCc1ccco1	825566991	RXYLLQUJISYHRK-MDZLAQPJSA-N	309.366	1.356	50	20	DDGD	
CN(NC(=O)N[C@@H]1CCN(C(C)(C)C)C1=O)c1ccccc1	827076498	QTIMWQGBPIKRSF-CYBMUJFWSA-N	304.394	1.736	50	20	DDGD	
Cc1c(NNC(=O)NCc2cnn(C)c2)cccc1[N+](=O)[O-]	728130294	XSOJVMCGODCKFD-UHFFFAOYSA-N	304.310	1.463	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)CC1CC(F)(F)C1	825760614	KPXAYOHTJFODKC-UHFFFAOYSA-N	314.288	1.354	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1	826658661	SZWLUJDJRVZLIH-UHFFFAOYSA-N	320.754	1.004	50	20	DDGD	
Cc1cn(-c2ccc(F)cc2)nc1C(=O)NN(C)[C@H](C)CO	823923542	SLIBQCNOLIIPOI-LLVKDONJSA-N	306.341	1.277	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)O1	825182888	MDALYTPNUNMULZ-NEPJUHHUSA-N	302.338	1.267	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCO1	824868642	WPXZPSBNZKOYOR-GXSJLCMTSA-N	302.338	1.125	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@H](CO)C2CCCCC2)cn1	491048437	LBCOCIBYVLMBEE-UBYXTUIOSA-N	316.405	1.632	50	20	DDGD	
COc1cccc(CCNC(=O)/C(C#N)=C\c2cnn(C)c2)n1	826966421	MNPJONBOLJYZEL-JYRVWZFOSA-N	311.345	1.090	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC#N)c2)n1	490784484	ZPTYGOSHTYEXBN-LCYFTJDESA-N	307.313	1.868	50	20	DDGD	
C[C@@H](CC(=O)O)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	827303512	GJUUORSXIDWIBD-VIFPVBQESA-N	324.406	1.181	50	20	DDGD	
O=C(N[C@@H]1CCC[C@H]2CCCC[C@@H]21)c1ccc(B(O)O)cc1	584992770	NTPDMGWCZUZTAR-UHOFOFEASA-N	301.195	1.455	50	20	DDGD	
OB(O)c1ccc(CNCCCc2c[nH]c3ccc(F)cc23)o1	585042247	MUUILOSXSSZGTK-UHFFFAOYSA-N	316.141	1.302	50	20	DDGD	
CN(CCCC=NNC(=O)c1cnn(C)c1)C(=O)OC(C)(C)C	496833810	ARRWKMIXKSADMC-UHFFFAOYSA-N	323.397	1.783	50	20	DDGD	
CCN(Cc1cnn(C)c1)C(=O)[C@@]1(C)C[C@@H]1Br	906435997	NQNVMQDUPSTDSP-JQWIXIFHSA-N	300.200	1.942	50	20	DDGD	
Cn1ccc(/C=C(/C#N)C(=O)NCc2ccc(F)c(F)c2)n1	490664947	WKODBCNXUJHRBJ-XFFZJAGNSA-N	302.284	1.922	50	20	DDGD	
O=C(/C=C/c1ccccc1C(F)(F)F)N1CC[C@@H](B(O)O)C1	585067417	SFEZLEFUTAZTKU-MVIFTORASA-N	313.084	1.794	50	20	DDGD	
OB(O)c1ccc(CNCC2(c3ccc(Cl)cc3)CCC2)o1	585019514	CBNIWZQQCQMPKB-UHFFFAOYSA-N	319.597	1.824	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@H]3CCOC(=O)N3)nc12	828358079	HMIVRCFKOMZUCT-MRVPVSSYSA-N	306.347	1.546	50	20	DDGD	
C[C@H](CNCc1cccc(B(O)O)c1)Oc1cccc(F)c1	585026385	GFIRHBSXBMEELI-GFCCVEGCSA-N	303.142	1.063	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21)c1ccc2ccccc2c1	906277970	RNQXTLRTAUSAGI-VNQPRFMTSA-N	308.337	1.826	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H](O)c1ccccc1C(F)(F)F	900416987	KNFKGLSEVDQKMF-JTQLQIEISA-N	319.283	1.478	50	20	DDGD	
C[C@@H]1[C@H](CO)CCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	491137412	XNWQQRBXBYETEZ-KLSMGGGASA-N	300.358	1.919	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2CCN(CC3CC3)C2)C[C@H]1Br	906617391	RRHADWVDSQUFTN-WZRBSPASSA-N	301.228	1.760	50	20	DDGD	
COc1cccc(C=NNC(=O)c2ccnc(N(C)C)c2)c1O	731561180	RLOXPLLVDSNTQZ-UHFFFAOYSA-N	314.345	1.626	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNC(=O)N=c2cc[nH]cc2)cc1	493114792	HOEJNCLIWQJWGZ-DAXSKMNVSA-N	312.329	1.378	50	20	DDGD	
Cc1ccc2c(c1)[C@@H](NCc1ccc(B(O)O)cc1F)CCC2	585041138	NEKDMSOOHYKKEU-SFHVURJKSA-N	313.181	1.981	50	20	DDGD	
CC(C)c1ccc(SCC(=O)N2CC[C@@H](B(O)O)C2)cc1	585068831	IJQCWBLGTYFHLQ-CYBMUJFWSA-N	307.224	1.977	50	20	DDGD	
Cc1cc(NNC(=O)c2csc(-c3cnn(C)c3)n2)ncn1	734254773	YKCUHBVKXSUDDG-UHFFFAOYSA-N	315.362	1.399	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)COC(C)(C)CC)n1	839705092	XOCVNXFXCCRDQC-UHFFFAOYSA-N	309.414	1.971	50	20	DDGD	
O=C(NCB(O)O)c1cc(-c2ccccc2)nc2cc(F)ccc12	585061506	UEMHEMKTLTUVPP-UHFFFAOYSA-N	324.120	1.783	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@]2(C)C[C@H]2Br)n1	906878431	NFWXLOJIGOPYTM-RDDDGLTNSA-N	315.171	1.410	50	20	DDGD	
O=C(NN=C1CCN(C(=O)O)CC1)Nc1ccc(C(=O)O)cc1	831730595	JJEGCVUYULCSTK-UHFFFAOYSA-N	320.305	1.636	50	20	DDGD	
O=C(CN1CCC[C@@H](F)C1)NNC(=O)c1ccccc1Cl	902995029	AWVWUTPRSRFAPQ-SNVBAGLBSA-N	313.760	1.535	50	20	DDGD	
O=C(NNc1cccc(Br)n1)N[C@H]1CCSC1	838498195	WJQHRMVLDLUHBM-ZETCQYMHSA-N	317.212	1.976	50	20	DDGD	
CO[C@@H](CNCc1ccccc1B(O)O)c1cccc(Cl)c1	585026219	DKZNLVQKXREOSF-INIZCTEOSA-N	319.597	1.497	50	20	DDGD	
CC[C@H]1CCCC[C@H]1OCC(=O)Nc1cccc(B(O)O)c1	584914233	SPSXTTIKRYHYBK-SWLSCSKDSA-N	305.183	1.290	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNc2cc(C#N)cc(Cl)n2)CC1=O	839717442	MJKHPVJESITBMY-JTQLQIEISA-N	321.768	1.308	50	20	DDGD	
NC(=O)C[C@@H](NS(=O)(=O)CCl)c1cccc(Cl)c1	830808924	ROPSVTUOPNRLJT-SECBINFHSA-N	311.190	1.372	50	20	DDGD	
OB(O)c1ccc(CN[C@@H](CC(F)(F)F)C2CC2)c(F)c1	585039934	ZTNAUDASVKZNSJ-LBPRGKRZSA-N	305.080	1.326	50	20	DDGD	
O=C(COc1cccc(C(F)(F)F)c1)NN=C1CCOC1	731924950	UKRVSSNVSMVZER-UHFFFAOYSA-N	302.252	1.977	50	20	DDGD	
O=C(NN[C@H](C(=O)O)c1cccnc1)c1ccc2ccccc2n1	833148946	BLXXMONTNDVQLX-HNNXBMFYSA-N	322.324	1.690	50	20	DDGD	
N#Cc1ccc(F)c(CNC(=O)NNC(=O)[C@H]2CCCCO2)c1	836326098	VATHMZBQMDCEGB-CYBMUJFWSA-N	320.324	1.097	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H](C)Cc2cnn(C)c2)n1	836631750	GAACPAPHZGLKKC-SNVBAGLBSA-N	304.354	1.081	50	20	DDGD	
CC(C)NC(=O)Nc1cccc(C(=O)NN(C)C[C@H](C)O)c1	910169669	GIUKXVUVDFASSS-NSHDSACASA-N	308.382	1.174	50	20	DDGD	
Cc1cccc(NNC(=O)Cc2ccc(-c3nn[nH]n3)cc2)c1	737398950	FOGWODHHFPQSFA-UHFFFAOYSA-N	308.345	1.861	50	20	DDGD	
CCOC(=O)[C@@H]1CCN(C(=O)[C@@]2(C)C[C@@H]2Br)C1	834863629	YFNYTNIJKUEKTB-PTRXPTGYSA-N	304.184	1.572	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCl)c1ccc(N2CCCC2=O)cc1	830206834	ZJEDHRRHHPLYOF-SNVBAGLBSA-N	316.810	1.990	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1C[C@@H](O)C[C@]1(C)CO	912660650	OKNFLZYQXPJXCY-YGOYTEALSA-N	308.216	1.140	50	20	DDGD	
CN[C@@H](CC(C)(C)C)C(=O)NNc1nc(-c2cccnc2)no1	831890675	QZQJTABBEYKRJS-NSHDSACASA-N	318.381	1.599	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(C#N)cc2)n2nc(C)cc2n1	747830670	CNGZKVNFSOPZET-UHFFFAOYSA-N	306.329	1.975	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H]1C[C@H](C(=O)OC)c2ccccc21	917999224	QULNWTSWBNEBKG-UMZRIGFJSA-N	314.341	1.948	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1ccc(OCCC(C)C)cc1	917719548	FBZPUQYOMLPQOR-UHFFFAOYSA-N	314.407	1.831	50	20	DDGD	
COC[C@@](C)(O)C(=O)NNc1ccc(OC(F)(F)F)cc1	748501024	BBYGDRHRCUWMFG-LLVKDONJSA-N	308.256	1.426	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)c1cc2n(n1)CCCO2	846641635	KHLFIEQPYAJXCL-UHFFFAOYSA-N	306.297	1.570	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)/C=C\c1ccc(Cl)s1	843641031	FEAQURCKVFUPKJ-KKTDHCNCSA-N	314.794	1.987	50	20	DDGD	
Cn1cc(CCCNC(=O)NNc2ccc(F)c(F)c2)cn1	916297508	PLIQZMOKGALKEZ-UHFFFAOYSA-N	309.320	1.957	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)[C@@H](C)CN1CCCCCC1	916370230	ARJZWRCPVZJXLB-ZDUSSCGKSA-N	319.453	1.999	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(NS(=O)(=O)CC)cc1	917603446	UHCPHNIYYQVZRJ-KHPPLWFESA-N	323.374	1.831	50	20	DDGD	
CCn1ncc(C(=O)NNC(=S)N[C@H](C)C2CC2)c1C1CC1	912162365	WIJOYVFQGHOLEF-SECBINFHSA-N	321.450	1.688	50	20	DDGD	
C[C@H]1OCCC1=NNC(=O)CSc1ccccc1[N+](=O)[O-]	842568180	JVXOLSAABQOPMQ-SECBINFHSA-N	309.347	1.968	50	20	DDGD	
C[C@@H]1[C@H](C(=O)Nc2cccc(NC(=O)NN(C)C)c2)CCN1C	843871036	DISYQIPPQGXBBK-BXUZGUMPSA-N	319.409	1.563	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)c2cc(OC)cc(OC)c2)[C@H]1OC	841609625	DHERBENMUDGAON-HUUCEWRRSA-N	322.361	1.613	50	20	DDGD	
COC(=O)c1cc(NNC(=O)N[C@@H]2CCC[C@@H](N)C2)ccc1F	841981072	PSCRVZKRPCLWJC-NXEZZACHSA-N	324.356	1.508	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1	843872258	YXHPNKRSYRXPDM-MCIONIFRSA-N	318.377	1.791	50	20	DDGD	
CCOC(=O)c1ccc(C=NNC(=O)c2sc(N)nc2C)o1	748251541	XMGQBVAIVLYRBC-UHFFFAOYSA-N	322.346	1.567	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)c2cc(Cl)ccc2O)n[nH]1	747515001	ZILGAENROUUNDJ-UHFFFAOYSA-N	322.752	1.796	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)Cn2cnnn2)C1	912585037	NGDZYHALMGTJIC-LLVKDONJSA-N	311.462	1.296	50	20	DDGD	
O=C(NC[C@@H]1CCCN1)NNc1ccc(OC(F)F)cc1	841937186	OTHZUDZZYHTNMT-JTQLQIEISA-N	300.309	1.666	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1cccc(-n2cnnc2)c1	842548869	DDDOIRXTBVTLBB-SWLSCSKDSA-N	313.361	1.533	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)O)[nH]1)c1cnn(-c2ccccc2)c1	749814898	TVKMPIJMNKYLMF-UHFFFAOYSA-N	323.312	1.663	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccncc1C(F)(F)F	843971041	OISMOWIRUCXZNQ-JGVFFNPUSA-N	317.267	1.286	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(-n2ccnc2)cc1	843646573	QMVROMPFIJWSPX-BXUZGUMPSA-N	314.345	1.058	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CCCC(=O)N(C)C)cc1	846371745	JDNGBBDXRDJKAA-UHFFFAOYSA-N	321.377	1.104	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@@H](c2ccccn2)C2CC2)cn1	928610335	IAYOBSGQFBUBOC-WPMUKRGUSA-N	307.357	1.990	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cc(C(N)=O)cs2)n1	748339280	QZYZFNRHGVINIG-UHFFFAOYSA-N	311.754	1.356	50	20	DDGD	
C[C@H]1C[C@H](C)N(C(=O)NNC(=O)COCc2ccccc2)C1	740916905	DUEVDSXVDXMOSZ-STQMWFEESA-N	305.378	1.674	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N1C[C@H](C)C[C@@H]1C	740902721	FWARTWFHQRQCQS-MNOVXSKESA-N	315.377	1.727	50	20	DDGD	
CN(CC(=O)NNc1nc2ccccc2n1C)[C@@H]1CCSC1	848379948	UWHSFQCUJDWTPI-LLVKDONJSA-N	319.434	1.454	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2ccn(C)c2)n1	749858720	OHJBHAORLOFPKB-UHFFFAOYSA-N	303.391	1.674	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1C	843639836	KCJKWSVMZQRYED-QWRGUYRKSA-N	307.350	1.020	50	20	DDGD	
C[C@@H]1CCC(=O)CN1C(=O)NC[C@@]1(C)C[C@H]1Br	923375235	ZVJCGPAKTXVMOL-HLUHBDAQSA-N	303.200	1.923	50	20	DDGD	
CCCC1(CNC(=O)NNC(=O)[C@@H](C)OCCOC)CCC1	758898321	LZLSVKYWJVIZTL-GFCCVEGCSA-N	315.414	1.339	50	20	DDGD	
CC[C@H](CN1CCOCC1)NC(=O)NNc1ccc(F)cc1	925572189	GUCVMVMMURHWOC-CYBMUJFWSA-N	310.373	1.563	50	20	DDGD	
O=C(NCc1ccco1)NN=Cc1c[nH]nc1-c1cccnc1	920828906	HSKRNFMRPFDARU-UHFFFAOYSA-N	310.317	1.898	50	20	DDGD	
CCn1cc(CC(=O)NN(C)C(=S)NC)c2ccccc21	854925914	PEDBHOUPFDFMOA-UHFFFAOYSA-N	304.419	1.671	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1cnn(-c2ccccc2)n1	757865763	VATWVBNDPPCNGP-UHFFFAOYSA-N	323.316	1.129	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)CCCNC(=O)C(C)(C)C)c2nccn21	853408758	WFGBSYWOMBUARL-LLVKDONJSA-N	319.409	1.611	50	20	DDGD	
CCn1cc(CNC(=O)NC[C@@]2(C)C[C@@H]2Br)nn1	856869917	OLNFGCBTMGJUQT-GXSJLCMTSA-N	316.203	1.271	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNC(=O)c1cc2c(s1)CCC2	929278139	MYWLCDZUZKAMMD-NXEZZACHSA-N	322.386	1.197	50	20	DDGD	
CC(C)[C@H]1C[C@H](C(=O)NNC(=O)Cc2ccc(F)cc2)CCO1	929331867	YAHVHKZQCDOYFZ-UKRRQHHQSA-N	322.380	1.967	50	20	DDGD	
C[C@H](OC[C@@H]1CCCCO1)C(=O)NNc1ncc(Cl)cn1	857355343	AKSJBOGRIIQROX-ONGXEEELSA-N	314.773	1.547	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@@H]1C[C@H]1c1ccc(F)cc1F	858921532	YSDRSSZMKHSHBG-WCQYABFASA-N	309.316	1.951	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2	754676938	QVJGXBDYJMTUDB-YNEHKIRRSA-N	307.394	1.465	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1ccc(OC)cc1OC)C1CC1	852070654	VCZOWQUDJUAGTD-ZDUSSCGKSA-N	321.377	1.836	50	20	DDGD	
Cc1noc(CCC(=O)NNC(=O)c2ccc3ccccc3c2)n1	920455030	RLEVXVSMXFDVKP-UHFFFAOYSA-N	324.340	1.925	50	20	DDGD	
O=C(NNC(=O)c1cccc(C2CC2)c1)C(=O)Nc1ccccn1	857468656	PLGJGKNTGCLHSI-UHFFFAOYSA-N	324.340	1.359	50	20	DDGD	
CC(C)(C)NC(=O)[C@H]1CCCN1S(=O)(=O)CCCCl	921455568	OILHVQAMAQHOIL-SNVBAGLBSA-N	310.847	1.324	50	20	DDGD	
CCCN1CC[C@H](NC(=O)NNC(=O)c2ccccc2C)C1	851917514	GKFZXVVMDGGOQK-ZDUSSCGKSA-N	304.394	1.423	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)NC[C@H]2CCN2C)cc1	925394557	PZFOLHZZDJMCTP-GFCCVEGCSA-N	322.434	1.122	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)nc1)[C@@H]1CN2CCC[C@@H]2CO1	853388612	KWUDSIPBRVPIJP-NEPJUHHUSA-N	308.769	1.048	50	20	DDGD	
CC(C)S(=O)(=O)CCNC(=O)NNc1cc(F)ccc1F	922505451	PERNTTRMUGCIHY-UHFFFAOYSA-N	321.349	1.414	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@@H](CO)C[C@@H]1CCCO1	923740286	IIYIIJUMLUETNA-OUAUKWLOSA-N	322.243	1.842	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C	854163669	COGIBOZPJVCTLZ-AWEZNQCLSA-N	318.370	1.289	50	20	DDGD	
CN(C)CCCN(C)C(=O)NC[C@]1(C)C[C@H]1Br	856953386	RMLYPMYXZVAGIF-PWSUYJOCSA-N	306.248	1.753	50	20	DDGD	
CCc1ncc(C=NNC(=O)CNC(=O)c2ccco2)s1	752165737	TYXJHJZFHKPXEO-UHFFFAOYSA-N	306.347	1.179	50	20	DDGD	
Cc1ccc(NNC(=O)CN(C)CC(=O)NC(C)C)cc1F	856231180	RMPKZUCUSKOGMR-UHFFFAOYSA-N	310.373	1.034	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1ccc(C)s1	758379521	BPILBCIYQYNPOJ-UHFFFAOYSA-N	302.359	1.930	50	20	DDGD	
CN(c1ccccc1)[C@@H]1CCN(C(=O)NNC(=O)C(C)(C)C)C1	852083394	FLOXIBZLFRIFDZ-CQSZACIVSA-N	318.421	1.984	50	20	DDGD	
O=C(NNC(=O)[C@H](O)C1CC1)Nc1ccc(Cl)cc1Cl	854377970	AFYPKJLNIMAWTI-SNVBAGLBSA-N	318.160	1.917	50	20	DDGD	
O=C(NN=Cc1cccn1Cc1cccs1)N1CCOCC1	755672191	KGUHYQYJEPYDNO-UHFFFAOYSA-N	318.402	1.974	50	20	DDGD	
Cc1ncsc1/C=C/C(=O)NNC(=O)OCC(F)(F)F	856022672	KOTCWVABYBUYTD-NSCUHMNNSA-N	309.269	1.784	50	20	DDGD	
Cc1ccc(F)c2c1NC(=O)C2=NNC(=O)c1cccn1C	750933883	PXCYCJMVXVHIIO-UHFFFAOYSA-N	300.293	1.559	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNc1ccc([N+](=O)[O-])cc1F	854112174	QJRQTFRACCQDMY-NEPJUHHUSA-N	310.285	1.704	50	20	DDGD	
C[C@]1(CNS(=O)(=O)c2ccc(N)cc2)C[C@H]1Br	856754694	MASQIQZNMCTADF-GHMZBOCLSA-N	319.224	1.721	50	20	DDGD	
Cc1cccc([C@H](C)NC(=O)NNC(=O)c2cn[nH]c2)c1C	858704241	GMMQASVWQXYRRZ-NSHDSACASA-N	301.350	1.732	50	20	DDGD	
CC(=NNC(=O)c1ccc(C)o1)c1ccc(-n2cnnn2)cc1	752174721	QVBBDNASXQMJIU-UHFFFAOYSA-N	310.317	1.718	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H]1CCO[C@@H](C(C)C)C1	935197613	DTHIYQWWMAYALS-GHMZBOCLSA-N	319.496	1.296	50	20	DDGD	
Cn1cccc1C=NNC(=O)CCCNC(=O)OC(C)(C)C	763379233	VUIXLLBQJWGHNJ-UHFFFAOYSA-N	308.382	1.780	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2coc(S(N)(=O)=O)c2)c1	764604448	KUWHWFLVEBAIQD-UHFFFAOYSA-N	313.310	1.131	50	20	DDGD	
COc1cc(Cl)c(C)cc1NCc1cccc(B(O)O)c1	864021848	OKMLBFRGWLSOGE-UHFFFAOYSA-N	305.570	1.949	50	20	DDGD	
Cn1nnc2c1C[C@@H](C(=O)NNc1ccc(F)c(Cl)c1)CC2	863082733	RJUJKHNKRZJCBI-QMMMGPOBSA-N	323.759	1.856	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C=C2CCCC2)cc1	762789627	WCNDGFQCVPFLNA-UHFFFAOYSA-N	303.362	1.755	50	20	DDGD	
Cc1cc(C(=O)NNc2ccnc(F)c2)n(C2CCOCC2)n1	860693556	CJJRIYPDFODDBC-UHFFFAOYSA-N	319.340	1.834	50	20	DDGD	
CC(C)[C@H](NC1CCOCC1)C(=O)NN[C@H](C)C(F)(F)F	863921164	WMMBBVRGYYPFEJ-KOLCDFICSA-N	311.348	1.351	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNc1nc2ccccc2[nH]c1=S	862292754	FRMDQPHBCJDOSE-MRVPVSSYSA-N	320.374	1.935	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H](C)n1ccc(C(F)(F)F)n1	864457413	SMPLAVNBUPTUTE-SSDOTTSWSA-N	321.328	1.144	50	20	DDGD	
CCCCOc1ccccc1C=NNC(=O)C(=O)NC(C)C	767361082	OLVMXOQPPHAGPQ-UHFFFAOYSA-N	305.378	1.840	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCCc2ccc(F)cc2)n[nH]1	765308133	XASBAQJICJTRIC-UHFFFAOYSA-N	305.313	1.044	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)C1(C(=O)NC2CC2)CCC1	768248648	VYKIAADLKQNPKU-UHFFFAOYSA-N	318.333	1.487	50	20	DDGD	
CCO[C@H]1CCCC1=NNC(=O)c1cc([N+](=O)[O-])ccc1O	766453461	DRLDOPXYDMHVQI-ZDUSSCGKSA-N	307.306	1.975	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2c(C)nn(C(C)(C)C)c2C)n[nH]1	768274081	ORQQUJANVVAUGJ-UHFFFAOYSA-N	318.381	1.361	50	20	DDGD	
CCCNC(=O)NNC(=O)c1c(-c2ccncc2)noc1C	765277713	UPIUIONNVJWZPO-UHFFFAOYSA-N	303.322	1.399	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@]12CCCc1ccccc12)c1cn[nH]c1	862472805	SURNLESWWXDSEK-RHSMWYFYSA-N	310.357	1.465	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1C1CC1	767883915	AUWULSZKJTTWEN-UHFFFAOYSA-N	314.345	1.299	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)c1cncn1-c1ccccc1)C(C)C	1116631966	VCFFGBMCFFGQHK-AWEZNQCLSA-N	316.361	1.304	50	20	DDGD	
CSSCCNC(=O)[C@]1(C)Oc2ccccc2NC1=O	868138227	ANPMIUUCUOVNHS-ZDUSSCGKSA-N	312.416	1.904	50	20	DDGD	
COCc1nc(C(=O)NNc2nc3ccccc3[nH]2)cs1	768503263	AWPCBHXBAQZCGM-UHFFFAOYSA-N	303.347	1.923	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NN=C1CCS(=O)CC1	761804160	KOZXBCOVZDDOLA-UHFFFAOYSA-N	314.794	1.977	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)COCc2ccncc2)c1	1117450456	WMKDIVMWDVNDOR-UHFFFAOYSA-N	315.329	1.528	50	20	DDGD	
CCOCCONC(=O)NNC(=O)c1c[nH]c2ccccc12	773515771	DLAQUMUBPOXCPW-UHFFFAOYSA-N	306.322	1.080	50	20	DDGD	
CCCOc1c(Cl)cc(C=NNC(=O)CO)cc1OC	776783046	MICKZDGFDMFBIE-UHFFFAOYSA-N	300.742	1.580	50	20	DDGD	
CN1CCCC[C@@H](C(=O)NNC(=O)CCc2ccccc2)C1=O	874265601	YAIDLFQHKRALDF-AWEZNQCLSA-N	317.389	1.025	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(SC)o1	772115202	MKHFBWNOCFXTNW-SSDOTTSWSA-N	300.336	1.104	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)Cn2ccc(C)n2)c1	873757065	WBKRQRATPQIPAU-UHFFFAOYSA-N	317.418	1.826	50	20	DDGD	
COC[C@H](OC)C(=O)NNC(=S)Nc1cc(C)ccc1C	873757508	BXNJBNNJZVHDPW-LBPRGKRZSA-N	311.407	1.282	50	20	DDGD	
CCc1ccc([C@@H](CNC(=O)NN(C)C(=O)OC)N(C)C)cc1	875002287	DWQAJCALQXLBND-CQSZACIVSA-N	322.409	1.764	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@H]2CC(=O)c3ccccc32)c1Cl	1116740561	FXZDIYGXFJACDI-VIFPVBQESA-N	317.736	1.526	50	20	DDGD	
CCO[C@H](CC(=O)NNC(=O)c1ccc(OC)cc1)C(C)C	1116266381	BBXHCYSNWKIRAW-CQSZACIVSA-N	308.378	1.907	50	20	DDGD	
C[C@@H](CC1CCCCC1)NC(=O)NNC(=O)c1cnn(C)c1	772453929	RHXXCVXDMWGETB-NSHDSACASA-N	307.398	1.723	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C1(COC)CC1	779152680	QEZCDFQSGMWJPV-UHFFFAOYSA-N	306.362	1.202	50	20	DDGD	
C[C@H](CBr)CN1CCN(c2ncc(F)cn2)CC1	770667565	HOKJDTOPSFFUBE-SNVBAGLBSA-N	317.206	1.769	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1)C(C)C	770210276	WQFJQSUWTJFSGJ-CQSZACIVSA-N	316.361	1.509	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](C)Oc1ccc2c(c1)CCC2	887141972	QXGYGESHYAXQPT-ZDUSSCGKSA-N	314.385	1.894	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)[C@@H]1C[C@@H]1c1cccc(F)c1	882678607	FDTTYHUOWAJSNL-VXGBXAGGSA-N	314.382	1.678	50	20	DDGD	
CCn1[nH]nnc1=NC(=O)NNc1ccc(C(C)(C)C)cc1	888331647	UCAPAYXREANMKR-UHFFFAOYSA-N	303.370	1.561	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(C(F)(F)F)ccn1	880403153	BERKFTZZQRYQDW-APPZFPTMSA-N	317.267	1.286	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1	780803626	KSOIPZJRSBCQJQ-LLVKDONJSA-N	310.419	1.862	50	20	DDGD	
COCc1ncsc1C(=O)NNC(=O)c1cccc(C#N)c1	786088853	OCZJHBYKKZTNKM-UHFFFAOYSA-N	316.342	1.236	50	20	DDGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)[C@H]1CN(C)CCO1	787455541	UFSZWDCNAGUKRL-HZNNPKNDSA-N	315.373	1.134	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@H]1CCCC(F)(F)C1	883534066	CKQTWUKIDNZRNY-JTQLQIEISA-N	305.325	1.321	50	20	DDGD	
O=C(CC[C@H]1CCCCO1)NNc1ccc(-n2ccnc2)nn1	788175617	WSZATCUNZIYZAN-GFCCVEGCSA-N	316.365	1.455	50	20	DDGD	
Cn1ccc(CC(=O)NNC(=O)c2ccc3ccccc3c2)n1	782578266	ZFTGZQLOFUKUQR-UHFFFAOYSA-N	308.341	1.577	50	20	DDGD	
COCCn1ccc(C(=O)NN=c2cc[nH]c3ccccc23)n1	784780876	RIRMAQRRIVGHKB-UHFFFAOYSA-N	311.345	1.257	50	20	DDGD	
COC(=O)[C@H](C)Oc1ccccc1/C=C(/C#N)C(=O)NC1CC1	899337261	CYLTZPUXLFSWQH-KWJWQAOWSA-N	314.341	1.812	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCC(=NNC(=O)NC2CCCC2)C1	788424502	GQCJNNQNEWXURF-GFCCVEGCSA-N	301.412	1.571	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccn(C2CCCC2)n1	899996763	RHJMPKBRMHTZDF-UHFFFAOYSA-N	309.439	1.906	50	20	DDGD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)CBr)c1	782461537	IJELWGXNFAKPKK-SSDOTTSWSA-N	324.196	1.734	50	20	DDGD	
C=C[C@@](C)(CCOC)C(=O)NNC(=O)c1cccc(C#N)c1	782437041	HWOFQZVPMHAVAY-INIZCTEOSA-N	301.346	1.548	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2ccc3nccnc3c2)c1	783931925	ZXNJLFZYABOCQZ-UHFFFAOYSA-N	322.328	1.415	50	20	DDGD	
C[C@@H]1CC[C@@H](NC(=O)NNc2ccc(-n3cccn3)nn2)C1	780799576	HZDLPUNDTPISEW-GHMZBOCLSA-N	301.354	1.477	50	20	DDGD	
CC(C)[C@@H](OC(=O)/C(C#N)=C/c1ccccc1)C(=O)NC(N)=O	785360362	APCFPLVXDRRVIA-YQCJOKCJSA-N	315.329	1.356	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NCCN1CC[C@@H](C)C1	897443718	ZMLPQVVFLCGCOM-CYBMUJFWSA-N	318.421	1.210	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Cc1ccc2c[nH]nc2c1	793473321	CXVZGYNBXZWVGF-UHFFFAOYSA-N	324.340	1.575	50	20	DDGD	
O=C(CO)NN=Cc1ccc2c(c1)CCN2Cc1ccccc1	794921724	KPMQVBXSVJRDPO-UHFFFAOYSA-N	309.369	1.692	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)S[C@@H](C)C(=O)OC(C)(C)C	794864010	JZTDVPHAPNEICZ-BDAKNGLRSA-N	304.412	1.396	50	20	DDGD	
CC(=NNC(=O)CNc1ccccc1F)c1ccc(O)nn1	790144313	NRRVZUNDXSEXJX-UHFFFAOYSA-N	303.297	1.274	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc(C#N)c(Cl)c2)n1	794084350	ROLIDOWHPPVLJQ-UHFFFAOYSA-N	314.732	1.990	50	20	DDGD	
C=C[C@H](NNC(=O)c1cc2c(s1)CC[C@@H](C)C2)C(=O)OC	799976837	XCKOORNNHXCLOT-KOLCDFICSA-N	308.403	1.835	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)Cc2cncc(O)c2)nn1	1349823713	GVMWCMLZZHITIK-UHFFFAOYSA-N	301.350	1.561	50	20	DDGD	
Cc1ccc2c(c1)S[C@H](C(=O)NNC(=O)c1ccc[nH]1)C2	1317930534	SZCKVGCPANIXCZ-ZDUSSCGKSA-N	301.371	1.801	50	20	DDGD	
Cn1ccc(C(=O)NNC(=O)c2cncn2-c2ccccc2)c1	1323944593	XMNXLQAURRSXEN-UHFFFAOYSA-N	309.329	1.286	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1ocnc1C1CC1	1323974497	ZPKIWYCQOGMIPG-UHFFFAOYSA-N	312.289	1.754	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cccc2c1OC(F)(F)O2	1327720879	SOHAJZDJTUWSEI-UHFFFAOYSA-N	317.317	1.525	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cnn3ccncc23)n1	1329060626	FVTMATFFBVKFHK-UHFFFAOYSA-N	303.713	1.238	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@H](F)CC	1335396390	GRYPJMGNMQVWEM-SNVBAGLBSA-N	306.341	1.494	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H](C)CC(=O)OC(C)(C)C)n1	1342008912	LCDMDGQWTIXBKI-SNVBAGLBSA-N	324.381	1.837	50	20	DDGD	
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NNc1ccncn1	1347881618	BUBKODQJGDJEEY-HNNXBMFYSA-N	311.345	1.895	50	20	DDGD	
CCOc1cccc2[nH]cc(CC(=O)NNc3ccn(C)n3)c12	1345198251	POEPXKMITXRJIV-UHFFFAOYSA-N	313.361	1.986	50	20	DDGD	
C[C@@H]1CCN(CCNC(=O)NNc2cccc([N+](=O)[O-])c2)C1	1355361931	HWBAPTKAQPCLDS-LLVKDONJSA-N	307.354	1.563	50	20	DDGD	
CCN(CC)CC[C@H](C)NC(=O)NNc1nc2ccccn2n1	1521559670	PABNAUMTQNMASB-LBPRGKRZSA-N	319.413	1.476	50	20	DDGD	
O=C(O)/C=C/c1ccc(C(=O)NNC(=O)Cc2ccsc2)o1	1601877566	OBDBEONMUWQVPW-DUXPYHPUSA-N	320.326	1.443	50	20	DDGD	
Cc1ncc(NC(=O)NNc2cccc(F)n2)cc1C(=O)O	1600744552	ZYYUFLMRGNIDJD-UHFFFAOYSA-N	305.269	1.771	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2ccc(C(=O)O)c(F)c2)cc1O	1601092245	NINIANMQBHOKMT-UHFFFAOYSA-N	315.260	1.858	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)Cn1cc(C(=O)O)cn1	1600220392	BBWKITUKRKWIRN-UHFFFAOYSA-N	308.725	1.686	50	20	DDGD	
Cc1c(NNC(=O)NCCc2cnn(C)c2)cccc1C(=O)O	1600053336	ADPKZZBYHXQPMW-UHFFFAOYSA-N	317.349	1.296	50	20	DDGD	
Cn1c(C(=O)O)ccc1C(=O)NNc1ccc(C(C)(C)C)nn1	1600903784	LDDYKJYNQQSEAG-UHFFFAOYSA-N	317.349	1.568	50	20	DDGD	
O=C(NCCc1ccccc1C(=O)O)NNC(=O)C1CCCC1	1601513673	MHUGEPFUXRBEGD-UHFFFAOYSA-N	319.361	1.448	50	20	DDGD	
O=C(NNc1cc(F)cc(F)c1F)c1c[nH]c(-c2nn[nH]n2)c1	1606853364	DVCMRNKJRXILOX-UHFFFAOYSA-N	323.238	1.369	50	20	DDGD	
O=C(O)c1cc(NNC(=O)c2ncc(F)cc2F)ccc1F	1608856583	FJQUCLDIVSCVHD-UHFFFAOYSA-N	311.219	1.954	50	20	DDGD	
C[C@](CO)(NC(=O)CCCC[C@@H]1CCSS1)C(=O)O	1604190377	HAMQCVPBMBTZPF-BXKDBHETSA-N	307.437	1.652	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2CCn3cncc3C2)cccc1C(=O)O	1607553249	NPZWCBKTWFXXEQ-LLVKDONJSA-N	314.345	1.595	50	20	DDGD	
CCn1ncc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1C	1604620574	OVDSJOJSLCUFKT-UHFFFAOYSA-N	312.337	1.148	50	20	DDGD	
O=C(NN=Cc1nc(Cl)cs1)[C@H]1CN2CCC[C@@H]2CO1	1549318064	AAGIDBANXKKZSN-RKDXNWHRSA-N	314.798	1.110	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cnn(-c3ccccc3)c2)nc1	1610835943	NWOMAVCJCXLVKJ-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
O=C(O)CC1(CC(=O)NNC(=O)Cc2ccncc2)CCCC1	1610753487	QWUSJOQWRUXGLO-UHFFFAOYSA-N	319.361	1.197	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2CCCCN2)cc1	1573475047	DTAUUVVCRNCOHN-AWEZNQCLSA-N	303.406	1.887	50	20	DDGD	
CO[C@@H]1CN[C@@](C)(C(=O)NNc2cccc(F)c2Cl)C1	1573960122	FCNDDCGXCXTWEK-ISVAXAHUSA-N	301.749	1.689	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2cnnn2C2CCNCC2)c1	1579706242	MIIYZXQRZWZOFB-UHFFFAOYSA-N	318.356	1.407	50	20	DDGD	
CCc1cccc(CC(=O)NNc2ccc(-c3nn[nH]n3)cn2)c1	1578532159	UXKJJIJWONUZBQ-UHFFFAOYSA-N	323.360	1.510	50	20	DDGD	
C=CC[C@H](NNC(=O)[C@H](C)Oc1cccc(C)c1C)C(=O)O	1588750312	VRYSAIKSIDDKNF-STQMWFEESA-N	306.362	1.721	50	20	DDGD	
C#CCC(C)(C)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1588331237	PUDMNBPYTOOYSZ-UHFFFAOYSA-N	317.353	1.471	50	20	DDGD	
CC[C@H]1C[C@H](CC(=O)NNc2ncccc2C(=O)O)CCO1	1589620224	VNLHJERWGNGLKA-MNOVXSKESA-N	307.350	1.818	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)C1CC(=O)C1)C2	1845168792	ZQUJKAIUQJLTIE-LBPRGKRZSA-N	312.797	1.186	50	20	DDGD	
CN(C)c1ccnc(C(=O)NNc2ccc(F)c(C(=O)O)c2)c1	1598345495	BMMCMBGRRIEIJD-UHFFFAOYSA-N	318.308	1.742	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H]1C[C@@H](C(=O)O)C1)c1ccccc1	1594736007	IJNZRXSUBJKENH-XQQFMLRXSA-N	304.346	1.438	50	20	DDGD	
CO[C@@H]1CC[C@@H](NC(=O)NNc2ccc(C(=O)O)cc2F)C1	1599102110	HLHZZAYJHTUCNA-NXEZZACHSA-N	311.313	1.718	50	20	DDGD	
COc1nsc(OC)c1C(=O)NNc1ccccc1C(=O)O	1599742299	YRFFWOURLVSVGJ-UHFFFAOYSA-N	323.330	1.615	50	20	DDGD	
CC1(C)C[C@@H](C(=O)NNc2ccc(CC(=O)O)cc2)CCO1	1593848057	GVXFPSJQZYQHPE-LBPRGKRZSA-N	306.362	1.962	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(C[C@H](C)C(=O)O)cc1	1596662337	DAEYCISSKSLKMN-VIFPVBQESA-N	309.322	1.732	50	20	DDGD	
COc1cc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)ccn1	1591515690	FZHKYQOXIWPTOB-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)[C@@]1(C(=O)O)C[C@@H]1c1ccccc1	1591213856	GZDYYDLDKWONGO-CXAGYDPISA-N	318.373	1.829	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(C(=O)O)cc2cccnc12	1599232152	KWSMRXUNPCJPRJ-UHFFFAOYSA-N	318.333	1.548	50	20	DDGD	
CS(=O)(=O)/C(C#N)=C/c1ccc(OCC(=O)O)c(Cl)c1	1777395524	KJLLTAZUWHJKJP-RUDMXATFSA-N	315.734	1.712	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C/c1cccn2c(C(=O)O)cnc12	1776330821	FVNZKLNSMUDRBV-WUXMJOGZSA-N	312.329	1.712	50	20	DDGD	
COc1nc(C=NNC(=O)c2cccc(C(=O)O)c2)ccc1C	1776095938	CPRWMJHXCMTNFQ-UHFFFAOYSA-N	313.313	1.861	50	20	DDGD	
O=C(CNC(=O)c1cccc(F)c1)NNC(=O)c1ccccc1	15435435	NANLNYAZSTVXTN-UHFFFAOYSA-N	315.304	1.017	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)CNc2cccc(OC)c2)co1	161628469	LNKMSIJMHKTIFK-UHFFFAOYSA-N	318.333	1.119	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2ccc(Cl)cc2Cl)CC1	151975844	SHRSRUQQJYYUGL-UHFFFAOYSA-N	302.161	1.963	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)CCc2ccccc2)o1	153505134	UUXDKLXCOIDIFH-UHFFFAOYSA-N	316.313	1.460	50	20	DDGD	
CCC[C@@H]1CCCN(C(=O)NNC(=O)Cc2cccnc2)C1	154320427	VJCFMRKUCRTOSU-CYBMUJFWSA-N	304.394	1.877	50	20	DDGD	
O=C(NNC(=O)c1ccc2ccccc2n1)c1cccc(F)n1	159247141	PPXIKOGVSZZTKK-UHFFFAOYSA-N	310.288	1.844	50	20	DDGD	
O=C(NN[C@H]1CCS(=O)(=O)C1)Nc1cccc(Cl)c1	10362334	KFEGSZUVKKIJLM-JTQLQIEISA-N	303.771	1.153	50	20	DDGD	
CCN(CC)C(=O)c1ccc(C(=O)NNC(=O)NC(C)C)cc1	104339115	PDWFOJJMDGSHKE-UHFFFAOYSA-N	320.393	1.521	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNC(=O)c1cc2ccccc2o1	177755560	IDWNHLUEZLKRHI-NSHDSACASA-N	320.345	1.635	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)[C@H]2CCOC2)cc1	105510204	GQYBVPBGZAAAFM-JTQLQIEISA-N	308.407	1.107	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1ccccc1[N+](=O)[O-])C1CCCC1	55081587	VYVRHMQTFFKBGO-CQSZACIVSA-N	320.349	1.733	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc2c(c1)OCCCO2	171011421	YTZGEAWKPMBJDU-UHFFFAOYSA-N	315.329	1.261	50	20	DDGD	
O=C(NC[C@H]1CCOc2ccccc21)NNC(=O)c1ccc[nH]1	108931912	WDQAGOCYBOOUHP-LLVKDONJSA-N	314.345	1.525	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)c1ccc([N+](=O)[O-])o1	110853389	OTGMOVICUCBLCW-UHFFFAOYSA-N	315.245	1.995	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1ccnc(Cl)c1	106287671	QFHVJLUBONCMSC-UHFFFAOYSA-N	319.748	1.834	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NO[C@@H]1CCCCO1	118783119	RQPLFTPVDAPHCD-LLVKDONJSA-N	301.774	1.927	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NNC(=O)Nc1ccc(F)cc1	101603265	WBOJTAKMLWMORB-UHFFFAOYSA-N	320.280	1.001	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=S)NCc2cccs2)cc1	57814932	UYEVYHZBLUEGFI-UHFFFAOYSA-N	316.411	1.929	50	20	DDGD	
C[C@H](NC(=O)c1cccs1)C(=O)NNC(=O)NC1CCCC1	65920104	RQGARFQPVMTJRV-VIFPVBQESA-N	324.406	1.139	50	20	DDGD	
CC(=O)NNC(=O)Nc1cc(F)c(Br)cc1F	119194658	BIPMWEUNCNWFOY-UHFFFAOYSA-N	308.082	1.900	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCOC2)c1ccncc1	171268544	YVAAAAKDIMDHHZ-UHFFFAOYSA-N	303.343	1.291	50	20	DDGD	
Cc1nc2c(cnn2C(C)C)cc1C(=O)NNC(=O)C(C)C	27081570	RPNHJWSKACPWKO-UHFFFAOYSA-N	303.366	1.738	50	20	DDGD	
O=C(CCNc1ccccc1[N+](=O)[O-])NNC(=O)NCC1CC1	65192599	PFSGNUNYMHKEIF-UHFFFAOYSA-N	321.337	1.137	50	20	DDGD	
COc1ncccc1C(=O)NNC(=O)CCCc1ccccc1	68052952	KDSYEYUVUFRBKS-UHFFFAOYSA-N	313.357	1.874	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2sc(C)nc2C)nc1	179799949	CSRPYNHKJBSVIX-UHFFFAOYSA-N	306.347	1.698	50	20	DDGD	
O=C(C[C@H]1C[C@H]2CC[C@H]1O2)NNC(=S)Nc1ccccn1	1349006426	NDVZPDKFRRRGBY-GMTAPVOTSA-N	306.391	1.357	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cc(C2CC2)on1	171766262	NXMSNTZFLUWEEZ-UHFFFAOYSA-N	301.302	1.635	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CNc1ccc(C#N)cc1	67438343	FCQYHAFKNINCRC-UHFFFAOYSA-N	324.340	1.440	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCc1ccoc1	177558727	KJPICIDUSGTFOG-LLVKDONJSA-N	320.320	1.966	50	20	DDGD	
Cn1ccc(NC(=O)NNC(=O)CCCc2ccccc2)n1	184697286	IKIFZIXGTXQHKO-UHFFFAOYSA-N	301.350	1.596	50	20	DDGD	
CNC(=O)[C@H]1CCCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1	182732449	BUVQMIQFQUTVPJ-GFAPJHNFSA-N	315.348	1.717	50	20	DDGD	
COc1cccc(OCC(=O)NNc2nnc(C3CC3)s2)c1	184533588	AIRZEGVAHLLWTA-UHFFFAOYSA-N	320.374	1.946	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	125932746	BAVJLWACVANSMS-MRXNPFEDSA-N	316.361	1.184	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccn(-c2cccc(F)c2)n1	122997990	KASXGHAOIJWXAF-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
CNC(=O)C1CCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)CC1	78344644	AJLCOUMINWLIKM-PJQLUOCWSA-N	314.345	1.917	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H](C)CCc2cccn2C)n1	74745088	VZIBAPRHAJOCBW-LLVKDONJSA-N	318.381	1.471	50	20	DDGD	
CCN1C[C@H](C(=O)NNc2ccc(C#N)c(Cl)c2)CC1=O	182405333	KZAHTPHRXMAANP-SNVBAGLBSA-N	306.753	1.523	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])c(O)c1	73563172	BJMIXFGMFZHDTP-UHFFFAOYSA-N	318.245	1.966	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C[C@@H](C)C(C)C)c1	76960801	PEBBCABLQURHSN-GFCCVEGCSA-N	307.394	1.937	50	20	DDGD	
O=C(CC[C@@H]1CCCO1)NNC(=O)Cn1cnc2ccccc21	78465280	VJIWJEFFASXIHB-LBPRGKRZSA-N	316.361	1.143	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccn(-c2ccccc2)n1	131937811	PSTQXXJSIGWHEW-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
O=C(Cc1cncs1)NNC(=O)c1ccc2ccccc2n1	187321567	FBYNUJMJHMAMFZ-UHFFFAOYSA-N	312.354	1.695	50	20	DDGD	
CC(=O)N/C(=C/c1ccccc1)C(=O)NNC(=O)C(C)(C)C	130808127	DUHNPZRRBRFHOV-JLHYYAGUSA-N	303.362	1.357	50	20	DDGD	
CCn1c(NNC(=O)CC(F)(F)F)nc2ccccc2c1=O	48031040	QEIVQAAKEKQBGZ-UHFFFAOYSA-N	314.267	1.812	50	20	DDGD	
Cc1ccccc1OCC(=O)NNc1nc2ccccc2c(=O)[nH]1	137182592	MBKZZRXTPVDALA-UHFFFAOYSA-N	324.340	1.754	50	20	DDGD	
O=C(CC(=O)NNc1ccncc1Cl)NCC(F)(F)F	135887590	JAWRLVVARZJXKT-UHFFFAOYSA-N	310.663	1.247	50	20	DDGD	
C[S@@](=O)Cc1cccc(C(=O)NNC(=O)CC2CCCC2)c1	195214016	CBAWUCLOSDYJRH-JOCHJYFZSA-N	322.430	1.906	50	20	DDGD	
COc1ncccc1NC(=O)C(=O)NNc1ccccc1F	137245875	YBFYNPJQFVZKNX-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
O=C(Cc1ccccc1F)NNc1nc2ccccc2c(=O)[nH]1	137138498	DSQLOQKOLHMJSC-UHFFFAOYSA-N	312.304	1.748	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cccc(C)c2F)ncn1	190144518	LIJXQVQJLZEBFS-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)/C=C/SCc1ccco1	84974907	KBFZHRHMWBUXGA-GQCTYLIASA-N	306.347	1.519	50	20	DDGD	
O=C(NNC(=O)c1ccnc(OC2CCC2)c1)c1cccnc1	90014704	JVLPFBSGEIUZRD-UHFFFAOYSA-N	312.329	1.483	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc(C)c(F)c1	94121168	VQTKLRWTKQXEOT-UHFFFAOYSA-N	301.412	1.606	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCc2c(cccc2NC(C)=O)C1	255278514	AZHQOHKUOKFGOC-KAMYIIQDSA-N	313.357	1.974	50	20	DDGD	
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1cc(C)nc(C)n1	269154026	SJTQXYXXSCHEQX-NSHDSACASA-N	323.397	1.840	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)C2CCC2)cc1[N+](=O)[O-]	264692077	DZLMJMCWSNEEEA-UHFFFAOYSA-N	322.321	1.234	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)CCc2ccc(OC)cc2)O1	268232377	LTDFMKXGZWZODG-UKRRQHHQSA-N	320.389	1.733	50	20	DDGD	
CCOCc1ccc(CNC(=O)NNC(=O)C2CCC2)cc1	264696934	FZPBAJVJOUBDEJ-UHFFFAOYSA-N	305.378	1.854	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(OCCOC)cc1	273341811	QQHQPFBZMBCFCS-NSHDSACASA-N	309.366	1.911	50	20	DDGD	
C=C(C)[C@@H](CC(=O)NNC(=O)c1cccc(N(C)C)c1)OCC	270138215	QWEDCCQDRKDIIO-OAHLLOKOSA-N	319.405	1.885	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CCC(=O)C[C@@H]2C)c1	272790372	HJEQNEVUDIFLTQ-IINYFYTJSA-N	304.346	1.922	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CCCCN2C(=O)C(C)C)nc1	275600621	PSCFNHYRRZIDJM-ZDUSSCGKSA-N	320.393	1.570	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)c1ccccc1C)[C@@H]1CCCO1	279661115	CTPUYNXLQAQQQM-KGLIPLIRSA-N	321.377	1.133	50	20	DDGD	
CN1C(=O)Cc2cc(NS(=O)(=O)CCCCCl)ccc21	278833659	YZNCHKABNOCFJT-UHFFFAOYSA-N	316.810	1.966	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)CC(C)(C)C#N)c1	278649050	BCCKHJKPLLBIFM-UHFFFAOYSA-N	303.362	1.770	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1csc(-c2ncccc2F)n1	271050804	AGQLUSRWYJHSKU-UHFFFAOYSA-N	320.349	1.905	50	20	DDGD	
COc1ccc(CN(C)S(=O)(=O)CBr)cc1O	272750859	AAZUVAHTGJSQSS-UHFFFAOYSA-N	324.196	1.515	50	20	DDGD	
CCCN(NC(=O)[C@@H](O)c1ccccn1)C(=O)OC(C)(C)C	286652487	XVTQVJVCWZNVAQ-LBPRGKRZSA-N	309.366	1.793	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)c1ccc(Cl)cc1Cl)C1CC1	288495737	WGDWDSQUJDSTQW-CYBMUJFWSA-N	317.172	1.915	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1ccc([N+](=O)[O-])cc1C	288563496	FOAZHZPCWQWTTN-UHFFFAOYSA-N	324.337	1.825	50	20	DDGD	
COC(=O)C(C)(C)CCNC(=O)NNc1ccc(Cl)nn1	287009092	RIFSYGCZJJZJHN-UHFFFAOYSA-N	315.761	1.345	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2COc3ccccc32)nc1	372267546	RWOJSJBUNTYDQW-GFCCVEGCSA-N	313.313	1.488	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCC=C(c2ccncc2)C1	287385607	NRSPFTXYRYLSOW-UHFFFAOYSA-N	302.378	1.958	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccnc(NC(=O)C2CC2)c1	285399109	JWDNYTJMMJSPGB-UHFFFAOYSA-N	304.350	1.237	50	20	DDGD	
CC(C)c1[nH]ccc1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	292699856	NPSUWXDEEFLUMW-NSHDSACASA-N	313.423	1.244	50	20	DDGD	
CCOC(=O)NCC(=O)NNc1cc(C(F)(F)F)ccn1	295391539	QOSNXGGXWOZHEK-UHFFFAOYSA-N	306.244	1.290	50	20	DDGD	
CCCc1nc(C)c(CNC(=O)NNC(=O)c2ccc(C)o2)o1	292093804	JBTDPMGLGNJFML-UHFFFAOYSA-N	320.349	1.981	50	20	DDGD	
Cc1ccc(C(N)=O)cc1NC(=O)NNc1ncccc1F	806243025	KQJUYMQTZQHTNB-UHFFFAOYSA-N	303.297	1.777	50	20	DDGD	
COCC[C@@H](C)NC(=O)NNC(=O)Nc1cc(F)cc(F)c1	296441885	UJOILMHFIMBMEZ-MRVPVSSYSA-N	316.308	1.726	50	20	DDGD	
COc1cccc([C@@H](C)NC(=O)NNC(=O)[C@H]2CCCCO2)c1	296287644	JIYRKBKNJREBFO-BXUZGUMPSA-N	321.377	1.656	50	20	DDGD	
CCC[C@H]1C[C@@H](C(=O)NNC(=O)N=c2cc[nH]cc2)CCO1	802035295	FDFUDLVTKSKJFO-AAEUAGOBSA-N	306.366	1.252	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H]1COc2ccc(Cl)cc2C1	294161866	NDDGQDZNPMFKBC-NSHDSACASA-N	308.765	1.839	50	20	DDGD	
Cn1cc(C(=O)NNc2ccccc2OC(F)(F)F)nn1	809783116	RKPUOYDDTRVDIU-UHFFFAOYSA-N	301.228	1.471	50	20	DDGD	
CCOc1ccc(NNC(=O)NCc2cnn(C)c2C)cc1	297116071	BFZRDNSLSCBEAP-UHFFFAOYSA-N	303.366	1.954	50	20	DDGD	
CCCn1cc(C(=O)NNc2ccc(-n3ccnc3)nn2)cn1	804953205	HFVJMEKUCPAFDN-UHFFFAOYSA-N	312.337	1.026	50	20	DDGD	
CC[C@@H](C)N(C)CCNC(=O)NNc1ncc(F)cc1F	297739277	RVXJJCHJABZGTK-SECBINFHSA-N	301.341	1.716	50	20	DDGD	
CC[C@@H](C)C(=O)NN=Cc1ccc(S(N)(=O)=O)c(Cl)c1	807964244	BAUQOHNXPSJISH-MRVPVSSYSA-N	317.798	1.484	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)C(C)(F)F)cc1	292562359	DCXCPNORRYDYIG-SNVBAGLBSA-N	300.305	1.813	50	20	DDGD	
Cc1c(NNC(=O)CCc2cncnc2)cccc1[N+](=O)[O-]	815855263	LDBOAKGCBBQLJG-UHFFFAOYSA-N	301.306	1.769	50	20	DDGD	
Cc1ccc(O)c(C=NNC(=O)COc2ccccc2O)c1	814952252	RGJUQVLYPGCPMO-UHFFFAOYSA-N	300.314	1.935	50	20	DDGD	
COC(=O)[C@H]1C[C@H]2CC(=NNC(=O)Cc3cccnc3)[C@H]1C2	817326941	ZWHIYLNYWKKFBO-AVGNSLFASA-N	301.346	1.315	50	20	DDGD	
CCOc1ccc(NNC(=O)C(=O)Nc2cc(C)n(C)n2)cc1	815816878	RFKPOVOSJSVFAX-UHFFFAOYSA-N	317.349	1.209	50	20	DDGD	
COc1ccc2c(c1OC)OCC2=NNC(=O)c1ccc[nH]1	814778972	YZZCAIVRYTXWQB-UHFFFAOYSA-N	301.302	1.558	50	20	DDGD	
Cc1cccnc1NNC(=O)NCc1ccc(CC(N)=O)cc1	811922401	RAWWJCFHSZCAHU-UHFFFAOYSA-N	313.361	1.244	50	20	DDGD	
CCC1(CC)C(=O)NCCC1=NNC(=O)Cc1ccncc1	819808535	ORVFRUGPAGVVQP-UHFFFAOYSA-N	302.378	1.423	50	20	DDGD	
CC(=O)N[C@@H]1CCN(C(=O)[C@@H](Br)C(C)(C)C)C1	817639778	NKJKQGLSSOTRQW-NXEZZACHSA-N	305.216	1.533	50	20	DDGD	
Cc1nc(-c2ccccc2)ncc1C(=O)NNc1cnnn1C	816772289	UENABLFTTLYACX-UHFFFAOYSA-N	309.333	1.337	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCC2CC(F)(F)C2)c1	813771420	VESVPDHGVCXFKN-UHFFFAOYSA-N	308.288	1.548	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NN=Cc2cn(C)nc2O)c1	814213320	HXTAUQOQGUACTQ-UHFFFAOYSA-N	302.334	1.272	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C[C@H]2CCCOC2)cc1C	814769414	ZYAHZEAYFJSGJY-CYBMUJFWSA-N	303.362	1.771	50	20	DDGD	
CC(=O)Nc1cccc(CC(=O)NNC(=O)NC2CCCC2)c1	819187673	PPEIINWQDWNROA-UHFFFAOYSA-N	318.377	1.461	50	20	DDGD	
CN(C)N(C(=O)[C@H]1CC2CCC1CC2)[C@H]1CCS(=O)(=O)C1	816776753	GAOCAUHSIKHCFN-HOAMVYINSA-N	314.451	1.305	50	20	DDGD	
Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)NN(C)C1CC1	819646049	ZIWBHAHYVASIDF-NTEUORMPSA-N	316.340	1.244	50	20	DDGD	
Cc1nnsc1CNC(=O)NNC(=O)c1ccccc1F	813848938	GQXDPYNMGZQVAX-UHFFFAOYSA-N	309.326	1.130	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)N[C@@H]2CO[C@@H](C)C2)c1	828420261	KBKNBZBPGLRBSG-STQMWFEESA-N	321.377	1.190	50	20	DDGD	
CC[C@@H](NC(=O)NNc1ccc(-n2cccn2)nn1)C1CC1	822572375	LBKDLOMUNFFJCF-LLVKDONJSA-N	301.354	1.477	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CC[C@H](c2nc[nH]n2)C1	491174706	IOTHOLWAENTGBJ-BPLGCGBFSA-N	309.329	1.433	50	20	DDGD	
Cc1cccc(CN(C)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	827315403	QOHCBXAOGHOLBP-JSGCOSHPSA-N	305.378	1.593	50	20	DDGD	
O=C(CCSc1ncnc2[nH]cnc12)NCC(Cl)Cl	822914549	XCKAGOUKJWXWTI-UHFFFAOYSA-N	320.205	1.755	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](Oc2ccccc2)C1	829091575	MVCJJAJDWBCBIW-JSGCOSHPSA-N	305.378	1.086	50	20	DDGD	
C#C[C@@H](CC)NC(=O)NNC(=O)CSc1ccccc1O	491664342	OLECTBZMBWFGNO-JTQLQIEISA-N	307.375	1.227	50	20	DDGD	
CCOC(=O)COc1cccc(NC(=O)NN(C)C2CC2)c1	824026323	OEVMPUBJGTXNBC-UHFFFAOYSA-N	307.350	1.759	50	20	DDGD	
CC[C@H](NC(=O)NNc1ccc(-n2cccn2)nn1)C1CC1	822572377	LBKDLOMUNFFJCF-NSHDSACASA-N	301.354	1.477	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)NNC(=O)C1CCC1	496180891	KGFPIEGICIMUNT-NXEZZACHSA-N	313.398	1.483	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1c(C(F)F)nc2n1CCCC2	823907796	PGXJTAOABBLJID-QMMMGPOBSA-N	302.325	1.114	50	20	DDGD	
COc1cccc(NNC(=O)/C=C\c2ccc3c(c2)OCO3)n1	492413359	XRKUIKSJCMJHLJ-VURMDHGXSA-N	313.313	1.975	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@@H]2CCCc3nn[nH]c32)o1	824633125	XWXFLVDOMMTIPV-MRVPVSSYSA-N	315.337	1.351	50	20	DDGD	
CC(C)(C)N1CC[C@@H](NS(=O)(=O)CCCCCl)C1=O	827815143	OMFIHRJNAWOONB-SNVBAGLBSA-N	310.847	1.324	50	20	DDGD	
CCCCOc1cc(C=NNC(=O)CN(C)C)ccc1OC	727649606	NRHDSYRLQNJUBW-UHFFFAOYSA-N	307.394	1.886	50	20	DDGD	
Cc1ncccc1C=NNC(=O)Cc1nc2ccccc2n1C	728779182	JVQMBTARMBCOQN-UHFFFAOYSA-N	307.357	1.970	50	20	DDGD	
CCc1c(C(=O)NN(CC)CCO)cnn1-c1ccc(F)cc1	823847272	UQRJWXJKQUDCHN-UHFFFAOYSA-N	320.368	1.533	50	20	DDGD	
O=C(O)C[C@@H]1CCCN(CCCI)C1	821515580	JLYYAHMYRZZZEO-VIFPVBQESA-N	311.163	1.998	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNC(=O)OC(C)(C)C)cn1C	495322360	PJQGCFFURJXSKR-UHFFFAOYSA-N	312.326	1.373	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C2(C#N)CCC2)cc1F	822644730	JEEHRKJJGNVRDE-UHFFFAOYSA-N	322.365	1.846	50	20	DDGD	
C=CCCNC(=O)NNC(=O)COc1ccccc1OCC	820771792	URRXWATYWMQTMV-UHFFFAOYSA-N	307.350	1.371	50	20	DDGD	
COCCN(CCN(C)C)C(=O)/C(C#N)=C/c1ccc(F)cc1	491046432	HEZAUUUAGJIQDY-NTCAYCPXSA-N	319.380	1.769	50	20	DDGD	
O=C(N[C@H]1CCC[C@H](c2ccccc2)C1)c1ccc(B(O)O)cc1	584981601	YSLIQHFZVXJRFB-WMZOPIPTSA-N	323.201	1.823	50	20	DDGD	
OCC[C@@H](NCc1cccc(B(O)O)c1)c1ccc(Cl)cc1	585040524	MGMZYYNWSJAGTO-MRXNPFEDSA-N	319.597	1.233	50	20	DDGD	
CCS(=O)(=O)CCN(C)C(=O)[C@@]1(C)C[C@@H]1Br	907151673	WVPFOCAVJFZMIW-WPRPVWTQSA-N	312.229	1.053	50	20	DDGD	
CC(C)(CCC(=O)NNC(=O)c1cccc(C#N)c1)[N+](=O)[O-]	823099781	ITRGVBFMHMULFY-UHFFFAOYSA-N	304.306	1.155	50	20	DDGD	
CCC1(CC)[C@@H](OC)C[C@@H]1N(C)CC(=O)NNC(=O)C(C)C	828384277	HIKFWORPOLNIEA-STQMWFEESA-N	313.442	1.315	50	20	DDGD	
COCC(COC)OC(=O)/C(C#N)=C/c1ccc(OC)cc1	908710512	PKEMWGAMJUSGFL-MDWZMJQESA-N	305.330	1.807	50	20	DDGD	
CC(C)(C)c1ccc([C@H](O)CNCc2ccc(B(O)O)o2)cc1	585023618	OGOAQPBUCOXIQS-OAHLLOKOSA-N	317.194	1.080	50	20	DDGD	
CCc1c(C(=O)NN(CC)CCO)cnn1-c1ccc(C)cc1	823846370	IXVLPLJUQSOPRJ-UHFFFAOYSA-N	316.405	1.702	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C[C@H]2CCOC2)c1C	739679730	AAJATFWRGMDZAQ-UONOGXRCSA-N	320.389	1.645	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CC[C@@H](CC2CCCC2)C1	584977488	QPNXIZTWWQRHRM-AWEZNQCLSA-N	301.195	1.409	50	20	DDGD	
CNC(=O)CCCC(=O)NNc1nc2c(C)cccc2s1	828362255	FEARITCZLZBVLD-UHFFFAOYSA-N	306.391	1.964	50	20	DDGD	
C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1C(=O)c1cccc(B(O)O)c1	584990870	MXFPETHTGYOTTE-QWQRMKEZSA-N	323.201	1.773	50	20	DDGD	
CC[C@H](O)[C@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1F	900934952	CUFGMRVGIUDVOA-CPCISQLKSA-N	302.733	1.647	50	20	DDGD	
Cc1ccc(C)c(C(=O)c2ccccc2C(=O)NCB(O)O)c1	585055932	LGXJWPIIXKSDNV-UHFFFAOYSA-N	311.146	1.276	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C1C(=O)N(C(C)C)c2ccccc21	735412358	XREHXVWORCPRLF-UHFFFAOYSA-N	311.345	1.607	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2ccoc2C(=O)O)ccn1	737373956	IMXTWMHWQHAWDG-UHFFFAOYSA-N	302.290	1.203	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)Nc1ccc(OC)cc1)C(C)C	491671205	FJEKKRKLKPWAGJ-ZDUSSCGKSA-N	304.350	1.689	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccccc1-c1ccccc1	495406241	BTFYZNOYUOEARY-UHFFFAOYSA-N	313.313	1.679	50	20	DDGD	
CC(C)(C(=O)NNC(=O)/C=C/[C@H]1CCOC1)c1ccccc1	493787896	MKNMYVMLKXUVAH-XEHSLEBBSA-N	302.374	1.704	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CCc1cscn1	731489876	GVWWEOJQKQGISY-UHFFFAOYSA-N	305.359	1.546	50	20	DDGD	
C[C@H]1C[C@H](C)N(CC(=O)NNC(=O)c2ccc(C#N)cc2)C1	839493127	FOJYVEBLLNLAAN-RYUDHWBXSA-N	300.362	1.050	50	20	DDGD	
CN1CC[C@]2(CCN(C(=O)[C@@]3(C)C[C@H]3Br)C2)C1	908364456	ZVEROMFOCFTHAT-WXHSDQCUSA-N	301.228	1.714	50	20	DDGD	
C[C@@H]1CCc2c(sc3ncnc(N4CC[C@@H](B(O)O)C4)c23)C1	585073064	IADBRZWACPAWOF-NXEZZACHSA-N	317.223	1.869	50	20	DDGD	
O=C(C[C@H]1CC(=O)N1)NNc1c(Cl)cc(F)cc1Cl	831534350	GNTHKETVYNRLMR-ZCFIWIBFSA-N	306.124	1.854	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@]1(Cl)C[C@H]2CC[C@H]1O2	905240129	FJVDBCGVDBHFPP-IXPVHAAZSA-N	308.765	1.685	50	20	DDGD	
CN(C)CCn1nccc1C(=O)NNc1ccccc1Cl	901164331	FYMAOBRYMILSSI-UHFFFAOYSA-N	307.785	1.855	50	20	DDGD	
CN(CCCNC(=O)NNC(=O)C1CCC1)C1CCCCC1	732238548	NNAIXVHBMCZAKI-UHFFFAOYSA-N	310.442	1.772	50	20	DDGD	
C=CC[C@H](C)NC(=O)NNC(=O)c1cc(OC)cc(OC)c1	735113667	RAKUZNOHKFZOKN-JTQLQIEISA-N	307.350	1.612	50	20	DDGD	
COC(=O)NN=Cc1c(C)c(C=NNC(=O)O)c2ccccn12	831207207	WVTFKNQYYDZDEM-UHFFFAOYSA-N	317.305	1.539	50	20	DDGD	
C[C@]1(C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)C[C@H]1Br	907270797	NCSOTJLPIGEFBD-PLMOITTCSA-N	315.211	1.287	50	20	DDGD	
OB(O)c1ccc(CNCCSCc2ccccc2F)cc1	585016528	PJXANBLVSRUYNY-UHFFFAOYSA-N	319.210	1.529	50	20	DDGD	
COc1ccc(CC(=O)NNc2cnccn2)cc1[N+](=O)[O-]	734245099	HRRVIYNYIIBGMO-UHFFFAOYSA-N	303.278	1.079	50	20	DDGD	
CC(=NNC(=O)c1c[nH]nc1C)c1nnn(-c2ccccc2)c1C	735412253	STICVCXMVBPENR-UHFFFAOYSA-N	323.360	1.761	50	20	DDGD	
OB(O)c1cccc(CNCCc2ccc(OC(F)F)cc2)c1	585014512	UJUXTNSIBRXHLN-UHFFFAOYSA-N	321.132	1.300	50	20	DDGD	
O=C(NNc1cccnn1)c1nn(-c2ccccc2F)cc1O	736710779	MSVIDUQYADUGLA-UHFFFAOYSA-N	314.280	1.264	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN(c2ccccc2)C1)[C@@H]1CCCCO1	833237047	XVPRLMKQPLBVMP-HIFRSBDPSA-N	317.389	1.229	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@H]2CCCOC2)cc1F	837059573	WZFCCTFXBQZJKD-SNVBAGLBSA-N	310.325	1.872	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc([N+](=O)[O-])cc1	831677756	IHDVRKZIEPGLCR-GZMMTYOYSA-N	308.294	1.173	50	20	DDGD	
Cc1[nH]c2ccccc2c1C=NNC(=O)[C@@H]1CCS(=O)(=O)C1	730577267	DWIFIUFJTDLWKC-LLVKDONJSA-N	319.386	1.361	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cccc(B(O)O)c1	584914229	SPSXTTIKRYHYBK-DOMZBBRYSA-N	305.183	1.290	50	20	DDGD	
OB(O)c1ccc(CNc2ccc(OC[C@H]3CCCO3)cc2)o1	585012029	KBOAXMSSOWRBRI-OAHLLOKOSA-N	317.150	1.129	50	20	DDGD	
CC[C@H](C)C(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc21	915977689	XZRAKPYHAJBVPO-VIFPVBQESA-N	312.366	1.870	50	20	DDGD	
CCS(=O)(=O)CCNC(=O)NNc1cc(Cl)ccc1C	916531033	YXYNDPYDHGZFSA-UHFFFAOYSA-N	319.814	1.709	50	20	DDGD	
Cc1cccc(-n2ncc(C(=O)NN(C)C[C@@H](C)O)c2C)c1	910172638	DQIGQUNGVNMGKD-GFCCVEGCSA-N	302.378	1.447	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cnc(C(C)(C)C)s1	748259339	HTWHMSSTGMZMAI-SNVBAGLBSA-N	313.423	1.942	50	20	DDGD	
CCCOc1ccc(C(=O)NN(C)C[C@@H](C)O)cc1OCC	910179814	DPRKWAOQPYFKRZ-GFCCVEGCSA-N	310.394	1.832	50	20	DDGD	
CCn1nc(C(=O)NN=Cc2c[nH]nc2C)c2ccccc2c1=O	915947490	WSJVWANXCWOAHS-UHFFFAOYSA-N	324.344	1.212	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)c1cc2c(s1)CCC2)C1CC1	749887438	UVZMDYCYRZWPRF-LLVKDONJSA-N	323.418	1.606	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1ccc(O)cc1O	916364476	NFZOMZDUXHLIPX-GFCCVEGCSA-N	305.378	1.670	50	20	DDGD	
Cc1cc(C)c2c(c1)C(=NNC(=O)Cc1ccncc1)C(=O)N2	747640746	JBNPAZSESWQQEN-UHFFFAOYSA-N	308.341	1.714	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H]2NC(=O)O[C@@H]2C)cc1C	841439442	YCTQFXWZOPZQBV-BXKDBHETSA-N	321.333	1.112	50	20	DDGD	
Cc1c(C)c(O)c(C=NNC(=O)[C@@H]2CCO[C@@H]2C)c(C)c1O	842560649	NBVQPTMIFZHEOS-VXGBXAGGSA-N	306.362	1.898	50	20	DDGD	
C[C@H]1COCCN1CCNC(=O)NNc1ccc(Cl)nc1	745803809	WLMPXWRKXNBYBD-JTQLQIEISA-N	313.789	1.082	50	20	DDGD	
CC(C)(N)CNC(=O)NNC(=O)NCc1ccc(Cl)cc1	841949317	BPSKGQDRROCLJQ-UHFFFAOYSA-N	313.789	1.091	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cnc3n2[C@@H](C)CCC3)n1	845141627	TWFMHEGWTUKRCZ-NSHDSACASA-N	300.366	1.944	50	20	DDGD	
C[C@@H]1OC(=O)N[C@@H]1C(=O)NNc1ccc(C(F)(F)F)cc1	841408532	MAAWCQOHIPSRIG-RCOVLWMOSA-N	303.240	1.645	50	20	DDGD	
CC(C)CC(=O)NN=Cc1cnc2cnc(Br)cn12	746367933	DEJBWAQBQMYALN-UHFFFAOYSA-N	324.182	1.988	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCCc2ccco2)cc1	844860853	ZYPYKMXOWOPEJI-UHFFFAOYSA-N	317.345	1.864	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1cnc2ccc(Cl)cn12	842559041	YYIZPSJADUIPMA-SKDRFNHKSA-N	306.753	1.863	50	20	DDGD	
C[C@@H](CCN)NC(=O)NNC(=O)c1cccc2ccccc12	841966364	CLDWRNVSTDMPSZ-NSHDSACASA-N	300.362	1.521	50	20	DDGD	
NC[C@@H](NC(=O)NNC(=O)c1ccccc1O)C1CCCCC1	841939740	KJRWERUPVCQQRF-CYBMUJFWSA-N	320.393	1.244	50	20	DDGD	
CO[C@H]1c2ccccc2C[C@H]1NS(=O)(=O)CBr	841554115	LBVWAIFLCUBPTJ-MNOVXSKESA-N	320.208	1.571	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)[C@@H]1COc2ccccc2O1	749756974	LHDHEEBWXMGEQD-CABZTGNLSA-N	309.391	1.120	50	20	DDGD	
CCn1cncc1C=NNC(=O)[C@H]1COc2ccccc2O1	841603271	GGIBLZOCRUEQRG-CQSZACIVSA-N	300.318	1.193	50	20	DDGD	
N[C@@H]1CCC[C@@H](NC(=O)NNc2ncnc3ccsc23)C1	841983160	OOKFUNWSXHONKG-RKDXNWHRSA-N	306.395	1.587	50	20	DDGD	
O=C(NNC(=O)c1cccn1C1CCNCC1)c1ccccc1	844205372	XFDPAIKZQRSEBR-UHFFFAOYSA-N	312.373	1.487	50	20	DDGD	
CC(C)N(C)c1cccc(NC(=O)NNC(=O)CCCN)c1	841112158	LDPVJBFABVBYIQ-UHFFFAOYSA-N	307.398	1.423	50	20	DDGD	
CCC(CC)(CO)C(=O)NNc1ccc(F)c(C(=O)OC)c1	848200120	GNAXETKUFNJXFP-UHFFFAOYSA-N	312.341	1.854	50	20	DDGD	
C[C@H]1COC[C@@H]1NC(=O)NNC(=O)c1cc2ccccc2o1	926009833	KUYHAYNATIQYTO-ONGXEEELSA-N	303.318	1.412	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@@H]2CCC[C@]2(CN)C1	846687177	CGRMCKNHSNASDK-BBRMVZONSA-N	324.856	1.940	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cc(F)c(OC)c(F)c1	929878767	WPPVPOBAYYOLAJ-UHFFFAOYSA-N	311.288	1.930	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@H]1CCC(=O)C1	843759924	ZMVNGGSCHZZBFF-QMMMGPOBSA-N	310.737	1.479	50	20	DDGD	
Cn1cc(C=NNC(=O)c2ccncc2)c(-c2ccncc2)n1	920357089	SYUSMMAZYQEAKR-UHFFFAOYSA-N	306.329	1.641	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2cc(C)no2)c1C	853568293	VGEXCGYAAICRFL-UHFFFAOYSA-N	318.333	1.904	50	20	DDGD	
C[C@@H](CCC1CCCCC1)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1	858225472	GJXFMGYZEDZKMJ-AAEUAGOBSA-N	324.425	1.344	50	20	DDGD	
O=C(NC[C@H]1CCN(C2CC2)C1)NNc1ccc(Cl)cn1	852183077	ZVBXWDCWRNTKRX-SNVBAGLBSA-N	309.801	1.845	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cc([N+](=O)[O-])ccc1N)C1CC1	855098585	FPBRGZRRNHCMIW-ZETCQYMHSA-N	323.378	1.084	50	20	DDGD	
CCC(=NNC(=O)Cn1cnc2ccccc21)c1ccn(C)n1	758080280	AQYUPTSACJSVOV-UHFFFAOYSA-N	310.361	1.700	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@H]1C[C@H]2CCCCN2C1=O	854128301	DGMOAQWCGYQBED-OCCSQVGLSA-N	320.368	1.914	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H]2C[C@@H](C)n3ccnc32)c1	858519784	LDXIXNNPTLFCEF-ZJUUUORDSA-N	319.390	1.903	50	20	DDGD	
C[C@]1(CNC(=O)N[C@H]2CCN(C3CC3)C2)C[C@H]1Br	856838660	DVTAXIBPLKXVTF-UFGOTCBOSA-N	316.243	1.696	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H]2CCCC[C@H]2CN)C[C@H]1Br	857103460	JPSXFPJJOBXYAQ-SBFPOUOMSA-N	318.259	1.977	50	20	DDGD	
CCCc1cc(C(=O)NNC(=S)NC(C)(C)C)cc(O)n1	929428078	BWRWLWARRBFSCA-UHFFFAOYSA-N	310.423	1.647	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cn(C)nc1-c1ccccc1	757893540	YYANPOMBTSSGBA-UHFFFAOYSA-N	317.349	1.276	50	20	DDGD	
C[C@]1(CNC(=O)COC2CCNCC2)C[C@H]1Br	857007612	QHSDVDKWBSKWLB-ZYHUDNBSSA-N	305.216	1.045	50	20	DDGD	
CCCOc1ccc(NC(=O)NNC(=O)CCCN)cc1C	859760804	HLADDCNXNPVGKO-UHFFFAOYSA-N	308.382	1.675	50	20	DDGD	
CCOC(=O)C[C@H](O)COC(=O)/C(C#N)=C\c1ccc(C)cc1	859455222	YZLKCLUTUZELEG-OWTLUSIOSA-N	317.341	1.759	50	20	DDGD	
COC(=O)[C@@H]1[C@H](O)CCCN1C[C@@H](CBr)C1CC1	859269163	KGXACNJVDPCIEY-UTUOFQBUSA-N	320.227	1.406	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)c1	858288763	OZLSPKSRYZPADY-MNOVXSKESA-N	322.434	1.626	50	20	DDGD	
C=CCOc1cccnc1C(=O)NNC(=S)N[C@H](C)C1CC1	855098355	GKILYIUEAXXEGL-SNVBAGLBSA-N	320.418	1.554	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCc1ncccc1F	752126562	ABFTWGUIAUAGSU-UHFFFAOYSA-N	302.309	1.673	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2C[C@@]23C(=O)Nc2ccccc23)n1	929716507	SFEJWJZJAZPTSD-SJCJKPOMSA-N	323.356	1.447	50	20	DDGD	
Cc1cc(C)n(CC(=O)NC[C@]2(C)C[C@H]2Br)n1	857404050	RJRIHTDHMSKJRC-PWSUYJOCSA-N	300.200	1.790	50	20	DDGD	
Cc1ccccc1COCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	857294117	ADGQGEXHRFCIJK-TZMCWYRMSA-N	306.362	1.084	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2cccc(F)n2)CCC1(F)F	852711090	ZHBQRRGILWJQKT-MRVPVSSYSA-N	316.283	1.552	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@@H]2CCCCS2)n1	753256163	SFJHGQGXBUNTPU-JTQLQIEISA-N	311.411	1.705	50	20	DDGD	
CCOCCOCCCC(=O)NNc1ncc(F)cc1F	854900011	YVISZDSSARYXAB-UHFFFAOYSA-N	303.309	1.636	50	20	DDGD	
CCn1ccc(CNC(=O)NC[C@@]2(C)C[C@H]2Br)n1	856863351	ILBWUKRVGMBBCS-ZYHUDNBSSA-N	315.215	1.876	50	20	DDGD	
O=C1CC[C@]2(C(=O)NNc3ccc(Cl)cn3)SCCN12	856095235	IRNTVULXROBJRZ-GFCCVEGCSA-N	312.782	1.244	50	20	DDGD	
O=C(CSc1ccccc1O)NN=Cc1cnc2n1CCC2	853351185	XXCJLLFZOSWWEZ-UHFFFAOYSA-N	316.386	1.777	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cc[nH]n1)c1ccc(OC)cc1	855357977	XBIQPVBDQWVIOD-GFCCVEGCSA-N	302.334	1.373	50	20	DDGD	
O=C(NN=Cc1cnc(N2CCCC2)nc1)OCC(F)(F)F	853432147	RWAVYRMROWDXBN-UHFFFAOYSA-N	317.271	1.699	50	20	DDGD	
Cc1oc(C(C)(C)C)cc1C(=O)NNC(=O)c1cnn(C)c1	933088894	VGQUPVJZEDLZPF-UHFFFAOYSA-N	304.350	1.694	50	20	DDGD	
C[C@H](Cc1cnc[nH]1)C(=O)N(C)NC(=O)OCc1ccccc1	862289612	STEAHVGUTZBDDA-GFCCVEGCSA-N	316.361	1.888	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)Nc1ccc(OCC2CC2)cc1	860639982	PYZWYNHGMBTQCR-UHFFFAOYSA-N	315.333	1.665	50	20	DDGD	
CCO[C@@H]1COCC[C@H]1NC(=O)NNc1cccc([N+](=O)[O-])c1	760130540	HWERWVDKHWIJIY-CHWSQXEVSA-N	324.337	1.415	50	20	DDGD	
C/C(C=NNC(=O)[C@@H]1CCC(=O)N1)=C\c1cccc([N+](=O)[O-])c1	863153108	MUQHKCFHXUPJNV-JFFIRXJISA-N	316.317	1.379	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCc1nc(C2CC2)cs1	767149421	ZYNGSZZKTHYJBS-UHFFFAOYSA-N	322.312	1.803	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1cn(C)nc1-c1cccs1	769585823	MUWZVRHWEVLKHW-UHFFFAOYSA-N	314.374	1.944	50	20	DDGD	
COc1cccc([C@H](OC)C(=O)NN[C@@H](C)C(F)(F)F)c1	862321545	BADOTUPBRKSSCR-KWQFWETISA-N	306.284	1.954	50	20	DDGD	
CO[C@@H](C)C(C)=NNC(=O)C1CCN(c2ncccn2)CC1	763172083	DRWMIJXLRGMLKZ-LBPRGKRZSA-N	305.382	1.220	50	20	DDGD	
CC[C@@H](C)CC[C@H](O)Cc1nc(-c2cccc(B(O)O)c2)no1	867055452	HWAOBCUJKMJENT-RISCZKNCSA-N	318.182	1.146	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H]2CSCCS2)c1	862478548	JKATYFBFBVMEOC-VIFPVBQESA-N	302.446	1.666	50	20	DDGD	
O=C(N[C@@H]1CCOC[C@H]1O)[C@@]12CC[C@@H](C[C@H]1Br)C2	863366984	DCTRTFOTHLCNCS-ZZZDWPBISA-N	318.211	1.206	50	20	DDGD	
CCC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	861435739	ROHVZHQFNYSAEY-MFKMUULPSA-N	319.361	1.857	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(Oc2ccc(C)nn2)cc1	765193868	RKYILQRAISZUGZ-UHFFFAOYSA-N	301.306	1.750	50	20	DDGD	
CC1(C)C[C@H]1CNC(=O)NNc1ccccc1S(C)(=O)=O	765780967	SVOFVDJXCAYKLL-JTQLQIEISA-N	311.407	1.762	50	20	DDGD	
COc1cc(S(=O)(=O)NNC(=O)CC(C)C)cnc1Cl	767438308	RJAFYONAAFDHJT-UHFFFAOYSA-N	321.786	1.099	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=S)NCc2ccon2)cc1	764438204	LPGVFXKAQHXGMD-UHFFFAOYSA-N	319.390	1.090	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1cn(C2CC2)nn1	860326071	RYNHTSMFLGXUFH-UHFFFAOYSA-N	322.712	1.932	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc3ccccc3o2)c(C)nn1	767668046	VUTNHKMTMUDTFX-UHFFFAOYSA-N	310.313	1.914	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NN=C3CCN(C)C3=O)cc2C1	761766610	IKLNJGDMNAOUCZ-VIFPVBQESA-N	305.403	1.821	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H](C)N(C)C)c1C	873798198	DINFGZCETFFFBX-CHWSQXEVSA-N	307.394	1.168	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C2(CN(C)C)CC2)c(C)c1	878039004	JXBGUQZUJDACJI-UHFFFAOYSA-N	318.421	1.205	50	20	DDGD	
N#CCN1CCC(NC(=O)NNc2cc(Cl)ccn2)CC1	778661417	JSCOEZITQYKISH-UHFFFAOYSA-N	308.773	1.349	50	20	DDGD	
O=C(NNS(=O)(=O)CCC1CCCCC1)c1ccccn1	872330489	IMSWAEQANQNKIZ-UHFFFAOYSA-N	311.407	1.616	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NN(C)C(=O)OC)C1(CC)CC	875349306	XUYBQAGBOKXEGZ-GHMZBOCLSA-N	301.387	1.883	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Cc2cccc(C(=O)O)c2)n1	777358371	CKSHZJOEGSBCJC-UHFFFAOYSA-N	300.318	1.477	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)COc2ccc(C)cc2)n(C)n1	873795941	BVNZJGLMMCMWTG-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1cc(F)c(F)c(F)c1)[C@H]1CCCO1	776225745	QNGRASNZYQVLOQ-VXGBXAGGSA-N	313.279	1.911	50	20	DDGD	
CCOCCONC(=O)NNC(=O)c1cccc(Cl)c1	773516673	KJTPVJGQAGVBLB-UHFFFAOYSA-N	301.730	1.252	50	20	DDGD	
CN(C)CC(=O)NN=Cc1cccc(C(=O)OC(C)(C)C)c1	777885861	DWUWQZXPQPYCFW-UHFFFAOYSA-N	305.378	1.654	50	20	DDGD	
CCCc1cc(C(=O)NNc2ccccc2C(=O)OC)n[nH]1	777772628	GGMVSXZMGMWOET-UHFFFAOYSA-N	302.334	1.906	50	20	DDGD	
CCOCCONC(=O)NNC(=O)[C@H](CC)c1ccccc1	773518192	XVJWKKWFYHAZEC-CYBMUJFWSA-N	309.366	1.479	50	20	DDGD	
CNC[C@@H](C)CNC(=O)NNC(=O)c1cc2c(s1)CCC2	1117967550	ZMFKDHMWHRKRQX-SECBINFHSA-N	310.423	1.036	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cncc(N(C)C)c1	873872085	MBGJEMHBVSHAHG-UHFFFAOYSA-N	314.436	1.214	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCc2ncccn2)cc(C#N)n1C	770059345	USJFUFAAVKDKKV-AWNIVKPZSA-N	306.329	1.219	50	20	DDGD	
CN(C)c1cc(C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)ccn1	771595292	MAVKSVPDHGIWLC-UHFFFAOYSA-N	319.296	1.952	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1cnn([C@@H](C)C2CC2)c1	779504153	APXICKPTBWCKLA-VIFPVBQESA-N	317.353	1.352	50	20	DDGD	
CC(C)(CO)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	776323319	LBFMNXHGJBKVBB-UHFFFAOYSA-N	310.419	1.797	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@]1(C(=O)OC(C)(C)C)CC1(C)C	887152182	ZVWMBQIOSOBQHN-QGZVFWFLSA-N	322.405	1.695	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Cc1sc(C)nc1C	888880815	KRBBOSSBTQZZPJ-UHFFFAOYSA-N	319.386	1.772	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)N[C@H]1CCn2ccnc2C1	777667258	NURPWEWISFNCCX-JTQLQIEISA-N	306.757	1.573	50	20	DDGD	
C[C@H](NCC(=O)NNC(=O)c1ccccc1)c1cccc(C#N)c1	775336016	XPYQLYFXFLOZSP-ZDUSSCGKSA-N	322.368	1.670	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)c2cccc(N(C)C)c2)o1	770823200	LTHMWDPVTNZIQH-UHFFFAOYSA-N	315.329	1.623	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cn(C)nc2C2CC2)cc1O	882051481	SFSPANVVLFYNGA-UHFFFAOYSA-N	314.345	1.386	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H]1CCN(c2ccccc2F)C1	882218735	SWXXPCFHJQCTIG-LLVKDONJSA-N	320.817	1.953	50	20	DDGD	
CC1CCN(CCNC(=O)NNc2ccc(C#N)cn2)CC1	887705750	XREBFACOOOOOPX-UHFFFAOYSA-N	302.382	1.311	50	20	DDGD	
Cc1[nH]nc(C(F)(F)F)c1C(=O)NNc1ncncc1Cl	781828859	BXFCPKIAOSVQMC-UHFFFAOYSA-N	320.662	1.937	50	20	DDGD	
COc1cccc(NNC(=O)Cc2csc3nccn23)n1	780769699	RSFWBMUFIQTEBY-UHFFFAOYSA-N	303.347	1.485	50	20	DDGD	
CN1CCCC[C@@H](C(=O)NNc2c(F)cc(F)cc2F)C1=O	885153788	PRUMWBGPFAXPBE-VIFPVBQESA-N	315.295	1.806	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ncccc2Cl)cn1	784819290	MSCIVXLAINNHBI-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
C[C@@H](CN1CCCCC1)NC(=O)NNc1ncncc1Cl	781001649	RXCVZIVNTFGMHA-JTQLQIEISA-N	312.805	1.631	50	20	DDGD	
COC(=O)c1ccn(CC(=O)OC[C@H](C)CBr)n1	885047181	XRPUTGASKCHIQX-MRVPVSSYSA-N	319.155	1.244	50	20	DDGD	
COc1nc(Br)ccc1NC(=O)NNC(C)=O	789381351	MMIAVHQJGWMHDG-UHFFFAOYSA-N	303.116	1.025	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@@H]1CCCC(F)(F)C1	883534067	CKQTWUKIDNZRNY-SNVBAGLBSA-N	305.325	1.321	50	20	DDGD	
CC1(C)CCC(CNC(=O)NNC(=O)c2cccnn2)CC1	883539466	AXLCZEQXDRXBQP-UHFFFAOYSA-N	305.382	1.637	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccc(OC)cc2)c(C)n1	782853200	IANOQNBLTBLMKW-UHFFFAOYSA-N	304.350	1.603	50	20	DDGD	
Cc1cscc1CNC(=O)NNc1nc2ccccn2n1	787337110	HVNWEBGJWRROIG-UHFFFAOYSA-N	302.363	1.926	50	20	DDGD	
Cc1nc(Cl)ccc1NC(=O)NNC(=O)c1ccccn1	788798122	JPJIGWBELZBNDY-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)c2cc3ccccc3cc2O)CO1	784764651	JKAHXZRCKKCCGX-GXFFZTMASA-N	314.341	1.731	50	20	DDGD	
CCc1nc(NC(=O)C(=O)NNC(=O)C2CCCC2)sc1C	789732558	BEFMVZJKFQTJNK-UHFFFAOYSA-N	324.406	1.290	50	20	DDGD	
NC(=O)C(=O)NN=C1CCC[C@@H]1c1cccc(C(F)(F)F)c1	788951241	NJNQZHXFHQTWQS-SNVBAGLBSA-N	313.279	1.930	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc2c(cc1F)CCC(=O)N2	785837750	SICKYIKJYZEJEN-UHFFFAOYSA-N	323.328	1.408	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1ccc(C(=O)OC)c(C)c1	899337119	BRQOMTOJTCZFSV-GXDHUFHOSA-N	316.357	1.841	50	20	DDGD	
O=C(CCc1cncnc1)NNC(=O)c1ccc2ccccc2n1	794199788	SXVPGCXNCMJTSS-UHFFFAOYSA-N	321.340	1.419	50	20	DDGD	
COc1cc(NNC(=O)CN2CCCNC2=O)ccc1Cl	790176126	UMSLLFWVXKMECU-UHFFFAOYSA-N	312.757	1.207	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1oc(C(C)C)nc1C	796212810	UGZAFWSYSJMUHA-VIFPVBQESA-N	311.338	1.209	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H](C)c2c(C)noc2C)n1	794079899	HELCUEBZDWIVBF-VIFPVBQESA-N	302.334	1.560	50	20	DDGD	
CC(=NNC(=O)c1cc(C)[nH]n1)c1ccc(C(=O)N(C)C)cc1	793025968	OVLSUNCVIGCRPP-UHFFFAOYSA-N	313.361	1.574	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCC(C3CC3)CC2)cc1	794894579	ZNHQJTDTRNZYFY-UHFFFAOYSA-N	315.417	1.878	50	20	DDGD	
O=C(CCc1ncc[nH]1)NNC(=O)c1ccc2ccccc2n1	791197065	ZOFUSOJUAMBJPB-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)CC1	799520634	HNSNYRGOIXZJFR-UHFFFAOYSA-N	315.373	1.675	50	20	DDGD	
CN(C)c1cc(F)c(C(=O)NNc2ncccn2)cc1[N+](=O)[O-]	791206270	YCNDWNIHDRHCCR-UHFFFAOYSA-N	320.284	1.347	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42	793956387	YCDBUBSFTNCMMQ-XNIWICEBSA-N	321.384	1.566	50	20	DDGD	
CCO[C@H](CC)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	798309637	JUVRJSLAFBOHDJ-CYBMUJFWSA-N	321.377	1.204	50	20	DDGD	
C=C(CBr)COC(=O)[C@H](OC)c1cnn(C)c1	798769514	JYQGYJJGVYTYSL-SNVBAGLBSA-N	303.156	1.602	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCc1cnc2ccccc2c1	792146295	CDUDTNNGTUSYIV-UHFFFAOYSA-N	323.356	1.660	50	20	DDGD	
COC(=O)Nc1cccc(C(=O)NNC(=S)NC(C)C)c1	1318271020	PKERIIOQAPWYMZ-UHFFFAOYSA-N	310.379	1.382	50	20	DDGD	
COc1cccc(C=NNC(=O)CCN2CCC(C)CC2)c1O	1317672733	STLQYNKXTKPCMM-UHFFFAOYSA-N	319.405	1.973	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cnn3ccc(C)cc23)cc1	1319645725	JFQAEYDTIGEZFW-UHFFFAOYSA-N	324.340	1.726	50	20	DDGD	
CC(C)C1CN(C(=O)C(=O)NC[C@@]2(C)C[C@H]2Br)C1	1328549104	ZCLAWNSFDJIJMQ-ZWNOBZJWSA-N	317.227	1.391	50	20	DDGD	
Cc1ccccc1C[C@@H](C)NC(=O)NNC(=O)c1cn[nH]c1	1329157213	VPASLFKHNRRMIV-LLVKDONJSA-N	301.350	1.293	50	20	DDGD	
Cn1ccc(NNC(=O)COc2ccc(C(F)(F)F)cc2)n1	1321104302	DGKHEUHSLMXGIM-UHFFFAOYSA-N	314.267	1.961	50	20	DDGD	
CC[C@@H]1C[C@H]1NC(=O)NNC(=O)c1cncn1-c1ccccc1	1321614642	VNFYNESPKMFGJN-DGCLKSJQSA-N	313.361	1.615	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F	1322046854	IKTTVPUFONBWKZ-ZJUUUORDSA-N	313.373	1.972	50	20	DDGD	
CC1CCN(CCC(=O)NN=C2CC(=O)N3CCCC[C@H]23)CC1	1325158472	QFSIKQBCPRVBQR-OAHLLOKOSA-N	320.437	1.365	50	20	DDGD	
CC(C)NC(=S)NNC(=O)Cc1csc(C(C)(C)C)n1	1325758804	YQMAANMUJXDTEV-UHFFFAOYSA-N	314.480	1.887	50	20	DDGD	
CC1=NO[C@](C)(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)C1	1337273921	FCQIUXPVZNUFJH-HNNXBMFYSA-N	300.318	1.526	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cnn(C2CCCCC2)c1	1338823678	HHWURJQSSBJWHE-UHFFFAOYSA-N	309.439	1.906	50	20	DDGD	
C[C@@H](C(=O)NNc1ccn(C)n1)N(C(=O)OC(C)(C)C)C1CC1	1331512496	HGEBQHJMRXAXEY-JTQLQIEISA-N	323.397	1.651	50	20	DDGD	
CC(=O)NC1CCC(C(=O)NNc2ccc(C#N)cc2)CC1	1348141191	UPPYNQBACBXEKQ-UHFFFAOYSA-N	300.362	1.696	50	20	DDGD	
CC(CN1Cc2ccccc2C1)=NNC(=O)C1CCOCC1	1349838230	DDEIQYKSSOHXFM-UHFFFAOYSA-N	301.390	1.921	50	20	DDGD	
CC(C)CCOCCNC(=O)NNc1nncc(N)c1Cl	1340565376	XCTUGLSVLCFYLF-UHFFFAOYSA-N	316.793	1.401	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1c2ccccc2nn1C	1342876548	GPZCAKSWUVKBBL-UHFFFAOYSA-N	324.340	1.657	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@H]1CCCCN1Cc1cccc(F)c1	1352303626	RDOQVSYKGDWMLA-BBRMVZONSA-N	323.412	1.524	50	20	DDGD	
Cc1ccc(NNC(=O)c2cnc3nccn3c2)cc1C(=O)O	1600461238	FXTSAVZOONUTAK-UHFFFAOYSA-N	311.301	1.493	50	20	DDGD	
O=C(O)c1cc(OC(=O)[C@@H]2C[C@H]3C=C[C@H]2O3)ccc1[N+](=O)[O-]	1602287865	IKXCWIOSOLISAG-NYRNMGCKSA-N	305.242	1.542	50	20	DDGD	
O=C(O)Cc1cccc(C(=O)NNC(=S)NCC2CCC2)c1	1602134864	GTSKRDJPXNDKTD-UHFFFAOYSA-N	321.402	1.223	50	20	DDGD	
CO[C@@]1(C(=O)NNc2ccc(F)c(C(=O)O)c2)CCSC1	1606690436	PJIMXPDLIOVNFS-ZDUSSCGKSA-N	314.338	1.489	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)Nc2cccnc2F)cc1	1608781056	MXNBUXBFIAJMQT-UHFFFAOYSA-N	304.281	1.996	50	20	DDGD	
O=C(O)Cc1ccc(NC(=O)NNC(=O)c2ccc[nH]2)cc1F	1602124836	DZZBPHKGBARUFM-UHFFFAOYSA-N	320.280	1.247	50	20	DDGD	
Cc1oc(C(=O)NNc2ccc(C(=O)O)c(F)c2)cc1CO	1600823413	RBMMZMKDKZXORL-UHFFFAOYSA-N	308.265	1.675	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(CC(=O)O)cc1)[C@H]1CCOC1	1604291042	JJBMNKRFPJWLEG-JQWIXIFHSA-N	307.350	1.365	50	20	DDGD	
CCCCOC(=O)/C(C#N)=C/c1cc(-c2nn[nH]n2)n(C)c1C	1604186935	XULGWLGZDLYIDV-KPKJPENVSA-N	314.349	1.764	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(C(=O)O)cc1F)c1ncn(C)n1	1604292650	XKYAFHZIUBTRKQ-ZETCQYMHSA-N	322.300	1.040	50	20	DDGD	
Cn1c(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1C(=O)O	1610597960	SXNNZJNPSXUOQW-LCYFTJDESA-N	309.325	1.947	50	20	DDGD	
CC(CC1CCOCC1)=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549316897	ITRNUNOYDAILEZ-HUUCEWRRSA-N	309.410	1.158	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccc(C(=O)O)cc1	1610373253	SPYSRNAAVRILQU-UHFFFAOYSA-N	303.278	1.332	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@H]2C[C@@]23CCCNC3)o1	1575866773	BTCMCSSMFATIHR-MEBBXXQBSA-N	303.366	1.502	50	20	DDGD	
CC[C@H](NC)C(=O)NNC(=O)c1cc(C)nc2ccccc12	1577172355	VTWPMVJUWAOYDR-ZDUSSCGKSA-N	300.362	1.302	50	20	DDGD	
CCc1ccc(NNC(=O)[C@H]2CCCN(CC(=O)O)C2=O)cc1	1573956339	BHLAAOCDSTTYQT-CYBMUJFWSA-N	319.361	1.015	50	20	DDGD	
CCc1cc(NNC(=O)[C@H]2C[C@@H](N)C2)nc(-c2ccccn2)n1	1573827665	MCYPGSOWMRJIEV-PHIMTYICSA-N	312.377	1.281	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1CCN[C@H]([C@@H]2CCCO2)C1	1575231282	MSNIFNOUMSAYAV-WOPDTQHZSA-N	313.398	1.090	50	20	DDGD	
Cc1cc2ccc(Cl)cc2nc1NNC(=O)CC1(N)COC1	1579643629	RHNLCOAWXANNRC-UHFFFAOYSA-N	320.780	1.758	50	20	DDGD	
CC[C@H](CNS(=O)(=O)c1ccc(CCl)cc1)C(=O)O	1589554408	GZLIXHQEPJOEQA-SNVBAGLBSA-N	305.783	1.815	50	20	DDGD	
CCN(C)[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1845747163	SDIJFGDGKVFIBY-GHMZBOCLSA-N	319.808	1.064	50	20	DDGD	
CO[C@](C)(C(=O)O)C(=O)NNC(=O)c1ccc2ccccc2c1	1593927494	ZYBSJFFQECSFNI-INIZCTEOSA-N	316.313	1.091	50	20	DDGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)O)c1C	1593955924	CGMHYTNWDQHGDK-REPOHMLUSA-N	320.345	1.847	50	20	DDGD	
CCC(=NNC(=O)c1cccnc1)c1ccc(-c2nn[nH]n2)cc1	1590358742	FLYKSFQPZFKCPM-UHFFFAOYSA-N	321.344	1.806	50	20	DDGD	
COc1ccccc1NNC(=O)Nc1ccnc(C(=O)O)c1	1594146304	ZYLDXBHTJYRKNZ-UHFFFAOYSA-N	302.290	1.937	50	20	DDGD	
O=C(NCc1ccccn1)NNc1cccc(-c2nn[nH]n2)c1	1593145584	BJFRNXVAOHYTPN-UHFFFAOYSA-N	310.321	1.088	50	20	DDGD	
CCCC[C@@H](NNC(=O)c1ccc(OC)cc1OC)C(=O)O	1595640610	KXHRYTZNKOOVEL-GFCCVEGCSA-N	310.350	1.582	50	20	DDGD	
CCC(CC)(CC(=O)O)NC(=O)/C(C#N)=C/c1cnn(C)c1	1595048759	LCAPTAUBIHOTQZ-WUXMJOGZSA-N	304.350	1.477	50	20	DDGD	
CCN(CCO)NC(=O)c1ccccc1S[C@@H](C)C(=O)O	1596340449	GYPGLEAZSHCEJD-JTQLQIEISA-N	312.391	1.211	50	20	DDGD	
CC(=NNC(=O)c1ccc(O)nc1)c1cc(C(=O)O)cs1	1776094289	KZQCHXDUVRFKHW-UHFFFAOYSA-N	305.315	1.701	50	20	DDGD	
Cc1nc(S)sc1CC(=O)NNC(=O)c1ccccc1	17171179	NPYYMQFDGDLNDB-UHFFFAOYSA-N	307.400	1.744	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc(Br)cc2)cn1	17330958	BPOLPNMEWRBFRI-UHFFFAOYSA-N	323.150	1.257	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C(C2CC2)C2CC2)cc1	163414609	KBTYBDMXPSOWOO-UHFFFAOYSA-N	302.374	1.957	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2(c3ccc(F)cc3)CCC2)[nH]n1	151152368	GJJJFFHDRZYXBK-UHFFFAOYSA-N	316.336	1.740	50	20	DDGD	
O=C(NNC(=O)c1cnns1)c1cc(-c2cccs2)n[nH]1	151119018	BSSVORYDFQLCCC-UHFFFAOYSA-N	320.359	1.065	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1cccc(-n2cccn2)c1	153452826	WJHQXPDQHLVQSL-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NNC(=O)c1cccn1C	159846178	FTTZWXWOPVPMSQ-WDEREUQCSA-N	303.387	1.960	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NNC(=O)Cn1ccc2ccccc21	105386301	CAJCIMCNUPCQOI-RAXLEYEMSA-N	312.329	1.233	50	20	DDGD	
CCOC(=O)NNC(=O)c1nnn(-c2cccc(Cl)c2)c1C	55410776	SNGULHWETGQRTH-UHFFFAOYSA-N	323.740	1.620	50	20	DDGD	
Cc1occc1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	24540957	FIKFIOZBWCUNEO-SNVBAGLBSA-N	306.293	1.956	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)Cc1ccc(F)cc1	26508822	GOTOWEPORFEUFQ-UHFFFAOYSA-N	320.295	1.734	50	20	DDGD	
CCOC(=O)NNC(=O)c1[nH]nc(C(C)C)c1Br	106455351	ZUIRGHJKUVUUAU-UHFFFAOYSA-N	319.159	1.687	50	20	DDGD	
Cc1ccccc1-n1cc(C(=O)NNC(=O)c2cccn2C)cn1	66371594	WEDYIVUHHRPMLW-UHFFFAOYSA-N	323.356	1.594	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1nc2cc(C)ccc2[nH]1	110103088	YWBHMNNXMRUFMN-VIFPVBQESA-N	306.391	1.909	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC(n2cccn2)CC1	111238571	NTXQBKLAQNRRFT-ZDUSSCGKSA-N	321.425	1.102	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(F)c(C(=O)N(C)C)c1	176626454	ADIPSIZJEKWYMA-MDZDMXLPSA-N	305.309	1.910	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1cccnc1)N1CCCCCC1	114266237	QYUVJVLNAPQEQA-CYBMUJFWSA-N	304.394	1.036	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H](C)c2ccccn2)n1	175175059	RZKITBGWFRCBBX-SNVBAGLBSA-N	302.338	1.576	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@H]2CCC[C@H](F)C2)n1	1349081891	MPRVTFIRCJQALG-RYUDHWBXSA-N	311.361	1.111	50	20	DDGD	
COCCCNC(=O)N/N=C1\C(O)=Nc2ccc([N+](=O)[O-])cc21	64924418	MURHDIFUSUUFBV-UHFFFAOYSA-N	321.293	1.236	50	20	DDGD	
COc1cc(F)c(C(=O)NNC(=O)CC(F)(F)F)c(F)c1	1347194421	LYAMAXMHXXETNJ-UHFFFAOYSA-N	312.194	1.687	50	20	DDGD	
CC(=O)N(CCc1ccccc1)CC(=O)NNc1cccnn1	179527313	DJHCOPOUVPNDGS-UHFFFAOYSA-N	313.361	1.011	50	20	DDGD	
C[C@@H](Cc1ccccc1F)NC(=O)NNC(=O)C1CCNCC1	1261374921	YGHAMBYOVHWJOY-NSHDSACASA-N	322.384	1.087	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H]1CCN(C(=O)C2CCCC2)C1	123196200	QZUIFRGFOCPSHY-JWAFFJSPSA-N	305.378	1.338	50	20	DDGD	
Cc1cc(-c2noc(CCC(=O)NN(C)C(N)=O)n2)ccc1F	181087803	VILZQARHQMGOMO-UHFFFAOYSA-N	321.312	1.158	50	20	DDGD	
CCOc1cc(F)ccc1NC(=O)C(=O)NNc1ccccn1	181404170	ULTXMYLOMOVPCP-UHFFFAOYSA-N	318.308	1.701	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccnc1OCC(F)F	183428084	NPYNJMQYZSORCI-QMMMGPOBSA-N	316.308	1.924	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2cc(C3CC3)[nH]n2)c1	181125133	JWZZNVYXKQZZKO-UHFFFAOYSA-N	320.374	1.448	50	20	DDGD	
CCN(C[C@@H]1CCCO1)C(=O)NNC(=O)c1cccc(C#N)c1	126443305	WLSTZYKFTDZXQB-AWEZNQCLSA-N	316.361	1.414	50	20	DDGD	
CC(C)Cc1nnc(NC(=O)NNC(=O)c2ccncc2)s1	182866827	LQHNYODSHSBQKP-UHFFFAOYSA-N	320.378	1.598	50	20	DDGD	
COc1cc(C(=O)NNc2nccn(C)c2=O)ccc1Cl	122322580	PJCTWHRACIYCTQ-UHFFFAOYSA-N	308.725	1.199	50	20	DDGD	
COc1ccc(OC)c([C@H]2C[C@H]2C(=O)NNc2cnccn2)c1	187958490	YMXILGCLYCACHZ-DGCLKSJQSA-N	314.345	1.741	50	20	DDGD	
O=C(COC[C@@H]1CCCO1)NNc1nc(-c2ccccc2)no1	76462247	DNZHZKSZPKCSNP-LBPRGKRZSA-N	318.333	1.375	50	20	DDGD	
COc1cccc(NNC(=O)NCC[S@](=O)C(C)(C)C)n1	181291493	IMBVOKCTWGYOEN-NRFANRHFSA-N	314.411	1.264	50	20	DDGD	
CCc1cc(NC(=O)NNC(=O)Cc2ccc(F)cc2)n(C)n1	185515391	FQLPJTSRQBJOQR-UHFFFAOYSA-N	319.340	1.517	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1c(F)cc(F)cc1F	48835412	JRJQKBJJJHHDND-ZCFIWIBFSA-N	310.297	1.460	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNC(=O)Cc2ccncc2)cc1	186355500	NRSSORJMOUZEEU-UHFFFAOYSA-N	312.329	1.680	50	20	DDGD	
CS(=O)(=O)Cc1ccccc1NC(=O)NNc1ccccn1	180690003	NLYYVRDWUFCVLS-UHFFFAOYSA-N	320.374	1.775	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cc(Br)ccc1F	49477120	IKSKOVLGMNGKPQ-UHFFFAOYSA-N	318.146	1.941	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C[C@H]1CCCO1	46753487	KLVVRHYLYAYHAC-GFCCVEGCSA-N	322.361	1.181	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C(=O)Nc2cncc(C)c2)c1	134382455	SFIQOQLBCSRXBH-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@H](C)Cn2cccn2)o1	84153557	CGSMYQSUIFQYHS-JTQLQIEISA-N	305.338	1.065	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C[C@@H]2CCCCO2)cc1C	86978165	NCFJVNCHRTWREW-AWEZNQCLSA-N	320.389	1.789	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CC(c3cccnc3)=NO2)nc(C)n1	192369187	PXLBHGKKHUYRND-ZDUSSCGKSA-N	312.333	1.125	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12	247658772	XNQGBCIKXHDPJK-UOVKNHIHSA-N	317.364	1.743	50	20	DDGD	
CC(C)n1ccc(C(=O)NNC(=O)COc2ccc(F)cc2)n1	265064431	UHBYWOWRLHLMSK-UHFFFAOYSA-N	320.324	1.443	50	20	DDGD	
CN(C)c1ncc(CNC(=O)NNc2ccc(Cl)nc2)n1C	267648432	VRCHAUBJSLCPPR-UHFFFAOYSA-N	323.788	1.361	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)N[C@@H]2CC=CCC2)cc1	265594955	VKCJCIPVOWMVAR-GFCCVEGCSA-N	319.361	1.513	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNC(=O)c1ccc(C)s1	264258620	OVLSSSUBLRXKMW-UHFFFAOYSA-N	313.379	1.296	50	20	DDGD	
O=Cc1ccccc1OCC(=O)NNC(=O)NC1CCCCC1	263857695	QZRNHUPLRAJBCE-UHFFFAOYSA-N	319.361	1.541	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@H]2CCCCN2C2CC2)n1	277794533	MZSZLZYVEMYUAT-CQSZACIVSA-N	318.425	1.736	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)nc1	363736298	IQVHLUPQESJFGV-BNOWGMLFSA-N	320.393	1.920	50	20	DDGD	
CC[C@@H]1C[C@@H](CC(=O)NNc2nc(C)cc(OC)n2)CCO1	272769332	HCGBDOMQVCLZHK-NWDGAFQWSA-N	308.382	1.832	50	20	DDGD	
O=C(NNC(=O)c1cc2c(cn1)OCCC2)Nc1ccccc1	367180052	JDISBDSKTBCIAK-UHFFFAOYSA-N	312.329	1.873	50	20	DDGD	
COc1cc(C(=O)NNC(=S)NCCSC)ccc1F	271223407	DEGFQFXXKSMLAZ-UHFFFAOYSA-N	317.411	1.306	50	20	DDGD	
Cc1c([C@H]2OCC[C@@H]2C(=O)NNc2ccnc(F)c2)cnn1C	275698851	QCNKDWKZBUMTHZ-FZMZJTMJSA-N	319.340	1.484	50	20	DDGD	
O=C(C[C@@H]1C(=O)Nc2ccccc21)NNC(=O)Nc1ccccc1	367272844	XXXWWBQJBVDGHK-ZDUSSCGKSA-N	324.340	1.965	50	20	DDGD	
C[C@@](O)(CNS(=O)(=O)CBr)c1ccsc1	272824993	PVYRYSQSNHTVBR-MRVPVSSYSA-N	314.226	1.227	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2	273298243	DYSQBIKEXIQJRZ-SECBINFHSA-N	320.349	1.605	50	20	DDGD	
COC(=O)Nc1cccc(NC(=O)NNC(=O)C2CCC2)c1	272868398	UCIBDPFGPYYOPH-UHFFFAOYSA-N	306.322	1.818	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ccnn2CC(F)F)n1	279284387	LSDADEZMGXHFAI-UHFFFAOYSA-N	316.699	1.657	50	20	DDGD	
COc1ccc(C(F)(F)C(=O)NNC(=O)CC(C)C)cc1	270011170	FLSSNHXBNAAGAO-UHFFFAOYSA-N	300.305	1.981	50	20	DDGD	
C#CCn1ccc(CN(CC)S(=O)(=O)CCCCCl)n1	278821841	TYIYRSAUXNBOOQ-UHFFFAOYSA-N	317.842	1.687	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(OC)cc1C	288006854	PBHDHQVFOWSFPP-UHFFFAOYSA-N	324.377	1.554	50	20	DDGD	
COc1ccc(NNC(=O)CCN(C)C(=O)OC(C)(C)C)nc1	286783866	MTVXQTPLETYHFE-UHFFFAOYSA-N	324.381	1.790	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1ccnc(N2CCCC2)n1	286540794	IUMNOTZRWVVVFO-UHFFFAOYSA-N	302.313	1.368	50	20	DDGD	
O=C(NNC(=O)c1ccc(F)nc1)Nc1ccc2c(c1)OCO2	802098903	FTWGIXKRHVQUIV-UHFFFAOYSA-N	318.264	1.416	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1ccnc2ccncc12	806882054	NCWFPUNVEPYJIA-UHFFFAOYSA-N	300.709	1.830	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2COc3c(C)cccc3C2)nn1	291347334	VXPSCUXDRBFNJG-ZDUSSCGKSA-N	313.361	1.723	50	20	DDGD	
Cc1nnc(COCC(=O)OC[C@@H](C)CBr)s1	803727440	PIGVWMKSSWSTHT-ZETCQYMHSA-N	323.212	1.937	50	20	DDGD	
CO[C@H](Cc1ccccc1)C(=O)NNC(=O)c1cccn1C	294491711	RLEYLQVHPBBZDQ-CQSZACIVSA-N	301.346	1.044	50	20	DDGD	
O=C(NNc1ccncn1)[C@@H]1CCCN(CC(F)(F)F)C1	295567197	VIWNLCKPVUWLIJ-SECBINFHSA-N	303.288	1.194	50	20	DDGD	
CC[C@@H](C)[C@@H](C)NC(=O)NNc1ccc(-n2ccnc2)nn1	804984249	DEBNGAGWPXZWGM-GHMZBOCLSA-N	303.370	1.723	50	20	DDGD	
C[C@@H](Cc1ccccc1F)C(=O)NNC(=O)[C@H]1CCCCO1	295300247	DZSAPQDYXKHUQV-SMDDNHRTSA-N	308.353	1.721	50	20	DDGD	
O=C(CNC(=O)c1cc(F)cc(F)c1)NNc1cccc(F)n1	804773607	MCKRDOJBCKHHNA-UHFFFAOYSA-N	324.262	1.372	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@H]1CC1(F)F	295418990	CGYBATDOBXHBKR-GMSGAONNSA-N	318.707	1.910	50	20	DDGD	
O=C(NNc1ncccc1F)c1ccnc(NC(=O)C2CC2)c1	804220896	NBNDLQVOWDMAMI-UHFFFAOYSA-N	315.308	1.721	50	20	DDGD	
COc1cc(C)ccc1NC(=O)C(=O)NNc1cccc(F)n1	807391888	OCIOZINEOOKUTR-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)C2(c3ccccc3F)CC2)O1	293889551	KLANXOQWUWQCCC-GWCFXTLKSA-N	306.337	1.572	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](C)c1ccc2c(c1)OCO2	295000798	RLAPOOQAYTUZPP-VIFPVBQESA-N	316.317	1.461	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)CCCC#N	293508999	ZMFHDIOEQVZUGF-UHFFFAOYSA-N	311.363	1.236	50	20	DDGD	
CC(C)(C)C(=O)CCCC(=O)NNC(=O)NCC(F)(F)F	296263887	PYRHJGRGQXDKSI-UHFFFAOYSA-N	311.304	1.665	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)Cc1ccc(Cl)cc1	812451541	IFRLHMLKQCIWIX-MNOVXSKESA-N	312.797	1.949	50	20	DDGD	
Cc1nnc(CC(=O)NNc2ccc(C(F)(F)F)cn2)o1	813524107	RAPBKFCDLIRVHU-UHFFFAOYSA-N	301.228	1.478	50	20	DDGD	
COC(=O)C(C)(C)CC=NNC(=O)COc1ccccc1OC	814719666	YVOUDLWRFKJMJH-UHFFFAOYSA-N	322.361	1.765	50	20	DDGD	
Cc1sccc1C=NNC(=O)CNC(=O)c1cccs1	814826530	BDKAFXAZCZFGSG-UHFFFAOYSA-N	307.400	1.998	50	20	DDGD	
CC(=NNC(=O)[C@H](C)Oc1cccc(C)c1C)c1cnnn1C	814747519	ADNYNTLLCIOBJL-ZDUSSCGKSA-N	315.377	1.740	50	20	DDGD	
O=C(COc1ccc(Cl)cc1)NN=Cc1c[nH]c(C(=O)O)c1	814723252	MSZQQWJYLYSCLT-UHFFFAOYSA-N	321.720	1.895	50	20	DDGD	
C=CCC(F)(F)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	814780004	XJJOSSISBNKYQC-UHFFFAOYSA-N	311.288	1.292	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C(C)c1c[nH]nc1C	814719453	PNUKFLYLEVJXAS-UHFFFAOYSA-N	302.334	1.646	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)c1cn(C)c2ccccc12	812453137	QNAQOTXLDLNGPI-VXGBXAGGSA-N	317.389	1.858	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1cn[nH]c1-c1ccc(F)cc1	814957882	WEHNCYFHWZEIFI-UHFFFAOYSA-N	312.308	1.632	50	20	DDGD	
O=C(O)c1ccc2c(C=NNC(=O)[C@@H]3CCCS3)n[nH]c2c1	819821288	WADDJUMTHCQUTF-LBPRGKRZSA-N	318.358	1.607	50	20	DDGD	
CCc1nnsc1C(=O)NNc1nc(-c2ccncc2)no1	726370860	NKEDTBQVFFGNCS-UHFFFAOYSA-N	317.334	1.302	50	20	DDGD	
C[C@H](Oc1ccccc1)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	824745055	LEOQMEUEOZXNKP-NSHDSACASA-N	324.344	1.777	50	20	DDGD	
CC(C)[C@H](O)C1(CNC(=O)/C(C#N)=C/c2cnn(C)c2)CC1	491088301	ZGMVNPXHXCJHDO-BLXFFLACSA-N	302.378	1.240	50	20	DDGD	
CCCN(NC(=O)[C@@H]1NC(=O)O[C@@H]1C)C(=O)OC(C)(C)C	496439444	AAXGGGSWYGEATE-RKDXNWHRSA-N	301.343	1.162	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCC(C)(C)c2ccncc2)cn1	828241938	ZNHHLHQDIAWONF-RIYZIHGNSA-N	309.373	1.816	50	20	DDGD	
Cc1cccnc1CCCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	826907314	NXZGGIBWMJAFQH-QWHCGFSZSA-N	320.393	1.078	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cn2cc(C3CC3)cn2)cc1	824694152	MACXWGAOQCDJAE-UHFFFAOYSA-N	309.329	1.093	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)CCC(C)(F)F)c1	728206566	VHRYSYJOENSWMB-UHFFFAOYSA-N	315.320	1.690	50	20	DDGD	
Cc1cccc(CCCNC(=O)/C(C#N)=C\c2cnn(C)c2)n1	491044430	CBTMFMKXYDDBNB-DHDCSXOGSA-N	309.373	1.780	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)NC1CCCC1)NC(=O)C1CCCC1	727103335	GVMDJHOQVULJSX-NSHDSACASA-N	324.425	1.344	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnn(-c2ccncc2)c1	822777515	HXIRPBURBFWZAD-UHFFFAOYSA-N	302.338	1.011	50	20	DDGD	
CN(NC(=O)Nc1cccc2c1CCN2S(C)(=O)=O)C1CC1	824284970	YSYMOGVSHBISAM-UHFFFAOYSA-N	324.406	1.139	50	20	DDGD	
CC(C)(C)OC(=O)[C@]1(C(=O)NNC(=O)C2CCC2)CC1(C)C	827216512	YVWYZAAQYRPRLN-MRXNPFEDSA-N	310.394	1.692	50	20	DDGD	
CCN(CCO)NC(=O)c1cnc(Br)c(C)c1	823376447	FMSRVMQGVUJRDG-UHFFFAOYSA-N	302.172	1.112	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNc1nc(-c2ccncc2)no1	822980768	ZSWUIGKYDNBAEP-MNOVXSKESA-N	301.306	1.166	50	20	DDGD	
CCCc1c(C(=O)NN(C)[C@@H](C)CO)cnn1C1CCCC1	823935170	OLGCOGQUPZNHLL-LBPRGKRZSA-N	308.426	1.908	50	20	DDGD	
O=C(N[C@@H]1CCC[C@@H]2CCCC[C@@H]21)c1ccc(B(O)O)cc1	584992771	NTPDMGWCZUZTAR-VBNZEHGJSA-N	301.195	1.455	50	20	DDGD	
COc1cccc(C(C)(C)CNCc2cccc(B(O)O)c2)c1	585029004	ASASKEFFGIYNRF-UHFFFAOYSA-N	313.206	1.442	50	20	DDGD	
CCNC(=O)N1CCN(C(=O)[C@@]2(C)C[C@H]2Br)CC1	905480381	AOWAQKBMUZZYIQ-SKDRFNHKSA-N	318.215	1.034	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NNC(=O)[C@@H]2C[C@H]2CC(C)C)c1	827148381	IEJFYXDMHLGIAN-BXUZGUMPSA-N	318.377	1.483	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)[nH]1	731866817	QWCPVLDNJFXHMY-MRVPVSSYSA-N	306.297	1.086	50	20	DDGD	
Cc1nnc(CC(=O)NNC(=O)C(C)(C)c2ccccc2)s1	826921371	QADRMBSIWKPPDT-UHFFFAOYSA-N	318.402	1.514	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccc(NC(=O)O)cc2)n1	737383636	HPARZGOHKRIMQH-UHFFFAOYSA-N	316.321	1.389	50	20	DDGD	
CCOC(=O)N[C@@H](C(=O)NNc1cccc(Cl)n1)C(C)C	495830250	CJWIXXWMOWLCGY-LLVKDONJSA-N	314.773	1.949	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1cccnc1)c1ccc2ccccc2c1	732273228	NCZFEANZHNZNHC-MRXNPFEDSA-N	321.336	1.729	50	20	DDGD	
OB(O)[C@H]1CCN(c2cc(-c3ccccc3)nc3ccnn23)C1	900965324	LYERJXWLQSBCGV-ZDUSSCGKSA-N	308.150	1.449	50	20	DDGD	
COc1cccc(NNC(=O)/C(C#N)=C\c2ccc(O)cc2)n1	491136360	VHYIKMKKVBUPPY-XFXZXTDPSA-N	310.313	1.846	50	20	DDGD	
C[C@]1(C(=O)N[C@H]2CCN(CC3CC3)C2)C[C@H]1Br	906617387	RRHADWVDSQUFTN-LOWVWBTDSA-N	301.228	1.760	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2cnc3n2CCOC3)cc1O	905491896	DQUILRRGDAOUMP-UHFFFAOYSA-N	300.318	1.191	50	20	DDGD	
C[C@H](CNC(=O)[C@@]1(C)C[C@H]1Br)N1CCCCC1=O	907647939	ORJLBXGWSCUQPL-BREBYQMCSA-N	317.227	1.677	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCN(C3CCCCCC3)C2)cc1	585021926	FNAJSQOELKHXIK-QGZVFWFLSA-N	316.254	1.253	50	20	DDGD	
C[C@@]1(C(=O)Nc2n[nH]c(-c3ccccn3)n2)C[C@H]1Br	906374388	GUEXMDSYRLXHAY-PRHODGIISA-N	322.166	1.979	50	20	DDGD	
CC(C)(C)c1ccc2c(c1)CCN2C(=O)c1ccc(B(O)O)cc1	584978836	YEFKJZJTZCZHBN-UHFFFAOYSA-N	323.201	1.867	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCC[C@H](c2ccccc2)C1	584993590	XRBAUNGWLMTFRF-INIZCTEOSA-N	309.174	1.386	50	20	DDGD	
N=[S@@](=O)(c1ccc(N2CC[C@@H](B(O)O)C2)cc1)C(F)(F)F	900964998	JJWFKICAYZCRGD-IJSAXESFSA-N	322.117	1.665	50	20	DDGD	
CCCC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1	730576262	NLKHTEBGZPMVSC-ZDUSSCGKSA-N	308.403	1.742	50	20	DDGD	
CCn1ccnc1C(C)=NNC(=O)COc1ccccc1O	834982873	MQBABQZUIWHDJD-UHFFFAOYSA-N	302.334	1.528	50	20	DDGD	
CCn1cc(C=NNC(=O)c2ccc(OC)cc2OC)c(C)n1	901190683	WDEHBGXUFZHEAQ-UHFFFAOYSA-N	316.361	1.993	50	20	DDGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NCB(O)O)cc12	585057220	PLEZWPLHPCUNHB-UHFFFAOYSA-N	315.163	1.137	50	20	DDGD	
CCCN(C)CC(=O)NNC(=O)c1ccc2ccccc2n1	730104319	QYRIUDAUAHNAAG-UHFFFAOYSA-N	300.362	1.338	50	20	DDGD	
Cc1onc(-c2cccc(F)c2)c1C(=O)NNC(=O)C1CC1	905089881	OPMBGFAUPIUJSG-UHFFFAOYSA-N	303.293	1.960	50	20	DDGD	
C=C[C@@](C)(O)c1cn(C(=C)CI)nn1	900641102	KGKAVSVYVZXGFC-SECBINFHSA-N	305.119	1.577	50	20	DDGD	
CCO[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)N=c1cc[nH]cc1	838727396	USNCSRYPCHUWLC-CHWSQXEVSA-N	321.381	1.187	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)NC1CCC(F)(F)CC1	838529283	QRQYENFMCWXONW-SNVBAGLBSA-N	305.325	1.464	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@@H](C(=O)O)C1)c1ccccc1O	833149172	HDHMNVOSXHBHKX-VHSXEESVSA-N	306.318	1.044	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1cn2ccccc2n1	730589561	UVUJRBAWBVGUBW-UHFFFAOYSA-N	321.300	1.536	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C1CCCC1	914844357	YBCLLXVVQUEKHI-CYBMUJFWSA-N	315.373	1.377	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1c(F)cc(F)cc1F	831505521	CWLNWJWPJCRZFU-POYBYMJQSA-N	317.267	1.682	50	20	DDGD	
COC[C@](C)(O)C(=O)NNc1cccc(Br)c1	748030004	GVNICDLJHJULAN-NSHDSACASA-N	303.156	1.290	50	20	DDGD	
CC(C)Oc1ccc(CNC(=O)NNC(=O)C2CCCC2)cn1	916512123	REKJNORQMDZADD-UHFFFAOYSA-N	320.393	1.889	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cc(OC)ccc1O	740762341	MGBRCIVSAPCPIJ-UHFFFAOYSA-N	307.350	1.156	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cnc(S)n1-c1ccccc1	746005961	FVNQAGDWMRJCGZ-UHFFFAOYSA-N	305.363	1.077	50	20	DDGD	
COc1ccc(NC(=O)NNc2nc(C)cc(OC)n2)cc1	747441944	MCZHNVGVYGGIKT-UHFFFAOYSA-N	303.322	1.951	50	20	DDGD	
CC(C)(C)n1nnc(CNC(=O)[C@]2(C)C[C@@H]2Br)n1	912048025	PERPAADJCATZFY-WRWORJQWSA-N	316.203	1.218	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1ccc(Cl)c(C)c1	848449764	AMGYRHQVLBHZNB-UHFFFAOYSA-N	305.787	1.551	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@@H](C)NC(=O)NNC(=O)c1ccccc1F	840420359	ZSGSDINRFHYELJ-QLJPJBMISA-N	323.368	1.973	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C/c1ccc2c(c1)oc(=O)n2C	844551903	VIJUJDYKRONVLI-YRNVUSSQSA-N	306.343	1.821	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1snc(Cl)c1Cl	846275780	JYUNFOAUBMRROH-UHNVWZDZSA-N	324.189	1.636	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2ccc(C)nc2O)c1	916741034	NXHHTGUZVIEPIK-UHFFFAOYSA-N	315.329	1.244	50	20	DDGD	
CNCc1cccc(NC(=O)C(=O)NCCSSC)c1	841126368	XFVZFSZTPQUZCA-UHFFFAOYSA-N	313.448	1.472	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=S)NCC1CC1	849251556	MEJKUFDROCPLMD-UHFFFAOYSA-N	303.391	1.162	50	20	DDGD	
CC[C@H](SC)C(=O)NNc1ccccc1S(C)(=O)=O	747417430	BRBFUTZEXPJLSD-JTQLQIEISA-N	302.421	1.675	50	20	DDGD	
O=C(NCc1noc2ccccc12)NNC(=O)[C@@H]1CCCCO1	847475333	HBTXFJZYEJRWHW-ZDUSSCGKSA-N	318.333	1.227	50	20	DDGD	
O=C(NN=Cc1ccc(C2CC2)cc1)[C@@H]1CCS(=O)(=O)C1	841617503	XTIFSXBHUUDNGF-CQSZACIVSA-N	306.387	1.449	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C(C)c1ccn(C)n1	841606846	MCUHTZKLQAZEEJ-UHFFFAOYSA-N	316.361	1.738	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)N[C@H]1CCCNCC1	841977249	HTHBZWFZTNRARS-QMMMGPOBSA-N	302.300	1.872	50	20	DDGD	
CN(CCc1ccccc1)[C@H]1CCN(S(=O)(=O)CCl)C1	849454586	LMAHKSWMBGFDOX-AWEZNQCLSA-N	316.854	1.761	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	843654554	RTNJATMQUNBHHZ-NXEZZACHSA-N	307.306	1.089	50	20	DDGD	
CN(C)CCc1ccc(C(=O)NNc2ncc(F)cn2)cc1	847619949	CUQXZSXAOOKLCL-UHFFFAOYSA-N	303.341	1.477	50	20	DDGD	
CC(=NNC(=O)Cc1cccnc1)c1ccc(O)c([N+](=O)[O-])c1	749607951	FGTZXCBMFUEADE-UHFFFAOYSA-N	314.301	1.778	50	20	DDGD	
Cc1cc(C)c2c(c1)OCCC2=NNC(=O)CN1CCCC1=O	920370872	NXAZVZILVOCSAL-UHFFFAOYSA-N	315.373	1.529	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1ccc(C(=O)O)[nH]1	749812977	VAJOENUHTZUPCB-UHFFFAOYSA-N	317.301	1.251	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)[C@@H]1C[C@@]12CCOC2	848322132	QWFSVYFFMJJIEA-GZMMTYOYSA-N	313.155	1.109	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C2CCOCC2)c2cc(F)ccc21	923059394	OIIROCJQZYLEON-UHFFFAOYSA-N	319.336	1.505	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)NCC(F)(F)F)CCc2ccccc21	843875950	FEBQMCVWUXBRGU-ZDUSSCGKSA-N	315.295	1.783	50	20	DDGD	
CCC(=NNC(=O)CNc1ccccc1OC)c1nccn1C	755505098	PRCDSNBBNADNMB-UHFFFAOYSA-N	315.377	1.771	50	20	DDGD	
CC1CC(CNC(=O)NNC(=O)c2cccc(N(C)C)c2)C1	856908462	KCLBGKNBQBZWNO-UHFFFAOYSA-N	304.394	1.743	50	20	DDGD	
O=C(CCn1cncn1)NNc1cc(C(F)(F)F)ccn1	857514246	LURIBVSZJCTDJT-UHFFFAOYSA-N	300.244	1.225	50	20	DDGD	
CN1CCC[C@H](c2cccc(C(=O)NNC(=O)C3CC3)c2)C1	856729250	RHMYJUBTJHUICA-HNNXBMFYSA-N	301.390	1.667	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1ccc(-c2cc[nH]n2)cc1	756514259	ZYBVXAUWTJRSEN-UHFFFAOYSA-N	323.316	1.333	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc(C)c(O)c1O	751532381	AOSPCXAGGOPHEM-UHFFFAOYSA-N	300.314	1.789	50	20	DDGD	
C[C@]1(CNC(=O)CCCn2ccnc2)C[C@@H]1Br	857400351	ZDWSIZNZYYSLRW-CMPLNLGQSA-N	300.200	1.953	50	20	DDGD	
CCOCC(=O)NN=C(C)c1ccc2c(c1)C(C)(C)C(=O)N2	759196109	UCTPBYAOSSHLET-UHFFFAOYSA-N	303.362	1.793	50	20	DDGD	
CCn1nccc1NC(=O)NNC(=O)c1cccc2ncccc12	757902659	FFZXFGYHKJHTNS-UHFFFAOYSA-N	324.344	1.918	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1cnc2n1CCC2	853264938	YHEYCANWOMAOIO-UHFFFAOYSA-N	314.345	1.367	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1c(C)nsc1C	854285756	OUGDEZPLERTCLP-UHFFFAOYSA-N	316.452	1.248	50	20	DDGD	
O=C(NCCn1cccc1)NNC(=O)c1cc2c(s1)CCC2	753049493	MFFUTQFIOIFIRF-UHFFFAOYSA-N	318.402	1.683	50	20	DDGD	
CC(=O)Nc1ccc(NC(=O)NNC(=O)C2CCCC2)cc1	755495965	ZHFTUTHNBMRJPA-UHFFFAOYSA-N	304.350	1.988	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC(C)(C)[C@@H]1c1cccnc1	854040249	BCNVZSVFORIKNL-FZMZJTMJSA-N	304.394	1.410	50	20	DDGD	
COC(=O)Nc1ccccc1C(=O)NNC(=O)c1ccc(C)o1	752781572	VJAXBBGEFWFDPL-UHFFFAOYSA-N	317.301	1.841	50	20	DDGD	
O=C(CCc1nc[nH]n1)NNC(=O)c1ccc2ccccc2c1	750609747	KWOUTKZMUZEWLL-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
COc1cc(C)nc(NNC(=O)COCc2ccccc2C)n1	857143340	ITJLHNPRTLKPJN-UHFFFAOYSA-N	316.361	1.762	50	20	DDGD	
C#CC1CCC(=NNC(=O)NCCNC(=O)OC(C)(C)C)CC1	853308250	CERPHULYYWYLTM-UHFFFAOYSA-N	322.409	1.990	50	20	DDGD	
COc1cccc([S@](=O)CC(=O)NCCCSC#N)c1	854367542	UGLIOKMCLUGGGY-HXUWFJFHSA-N	312.416	1.523	50	20	DDGD	
O=C(C[C@@H]1CC(=O)N1)NNC(=O)CC12CC3CC(CC(C3)C1)C2	854196854	OEGSNMVNFCCCSH-RQYMUSGFSA-N	319.405	1.019	50	20	DDGD	
CCn1nncc1C(=O)NNc1ccc(C)c(C(=O)OC)c1	857263924	HCECJOQSINONHH-UHFFFAOYSA-N	303.322	1.150	50	20	DDGD	
COCCN(C)NC(=O)c1cc(Br)cc(OC)c1	935910512	IZYBZVIHBMYCFH-UHFFFAOYSA-N	317.183	1.681	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNC(=O)c2ccc[nH]2)cc1C	763981238	YKLAJFIKIXKUBM-UHFFFAOYSA-N	314.345	1.285	50	20	DDGD	
O=C(CC(C1CCC1)C1CCC1)NNC(=O)[C@H]1CCC(=O)N1	862463340	BAZDCRHHQLLSNH-CYBMUJFWSA-N	307.394	1.019	50	20	DDGD	
CC(CCc1ccc(F)cc1F)=NNC(=O)CS(C)(=O)=O	863185888	GMOBYVOOPQGQKA-UHFFFAOYSA-N	318.345	1.434	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2coc(C3CCOCC3)n2)o1	768026632	ZPWXXJMPPDKJTA-UHFFFAOYSA-N	319.317	1.545	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@H](C(F)(F)F)C1	761047790	XBCNQULYECYMBN-UWVGGRQHSA-N	309.332	1.453	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)c2ccn(C)c2)cc1	763755155	AIDCFXRDMXSLFK-UHFFFAOYSA-N	317.418	1.723	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H]2CCSC2)c1	761783773	CKJGIJSEFXTEMF-GFCCVEGCSA-N	308.403	1.583	50	20	DDGD	
C[C@@H](CNS(=O)(=O)CC(C)(C)CCl)CN1CCCC1	866543067	QVMVWGLTJUSUPX-LBPRGKRZSA-N	310.891	1.903	50	20	DDGD	
CCN(C(C)=O)c1nc(C=NNC(=O)c2cc(C)[nH]n2)cs1	764797560	QOCGXMDMVWHVNP-UHFFFAOYSA-N	320.378	1.311	50	20	DDGD	
C[C@@H](NNC(=O)c1cc(OCC(F)F)ccn1)C(F)(F)F	862317384	YBKMQLAFXSXVKH-ZCFIWIBFSA-N	313.226	1.911	50	20	DDGD	
N#CSCCCNC(=O)C[C@@H]1C(=O)Nc2c(F)cccc21	935842931	FGFVHVLCRWSCLI-JTQLQIEISA-N	307.350	1.972	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(C)[C@H](C)c1ccncc1	769927507	XVBJQEGSZHXBKU-OLZOCXBDSA-N	306.410	1.656	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(C)nc1N(C)C	930504275	IAZARTGMDFUJPO-UHFFFAOYSA-N	303.366	1.412	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccnn1CC1CCC1	869019506	WBBJREXDZXZMLG-UHFFFAOYSA-N	304.272	1.397	50	20	DDGD	
CC(=O)Nc1ccccc1CC(=O)NNC(=O)CC(C)(C)C	768205787	DFFUJMZNLNJVNZ-UHFFFAOYSA-N	305.378	1.771	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1CCCC(=NNC(=O)c2cn[nH]c2)C1	863152455	UODYZBLBWDRWFN-LLVKDONJSA-N	321.381	1.963	50	20	DDGD	
O=C(CSc1nc(-c2ccccc2)co1)NNC(=O)C1CC1	767105872	IJTWYGPMUHZTSC-UHFFFAOYSA-N	317.370	1.991	50	20	DDGD	
C[C@@H](NNC(=O)[C@@H]1Cc2ccccc2C(=O)O1)C(F)(F)F	862306829	PKFXVKCXLOTGLH-XCBNKYQSSA-N	302.252	1.340	50	20	DDGD	
Cc1nnc2ccc(C(=O)NNc3cnc4ccccc4n3)cn12	765989464	NHPCEXHTCJVYDJ-UHFFFAOYSA-N	319.328	1.738	50	20	DDGD	
CN(C)c1cccc(NC(=O)NNC(=O)c2ccccc2F)n1	764728955	ROVVSUFIUWCRNM-UHFFFAOYSA-N	317.324	1.753	50	20	DDGD	
CC1=C(C(=O)NN[C@@H](C)C(F)(F)F)[C@@H](C)n2ncnc2N1C	862318227	NKLUXFXXXWLUTF-SFYZADRCSA-N	318.303	1.135	50	20	DDGD	
C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)CCl)CC2)C1	1116437635	LBCSXGWSDJIETF-STQMWFEESA-N	315.845	1.064	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(C#N)cc(Cl)n1)c1cnn(C)c1	768716177	WIYGBXLFXYHKRX-MRVPVSSYSA-N	304.741	1.587	50	20	DDGD	
Cc1ccc(F)c(C(=O)NNc2ncnc3[nH]cnc23)c1F	767150120	JVKOVQGIPCNXJM-UHFFFAOYSA-N	304.260	1.696	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1cccc2ccccc12)n1ccnc1	1115900624	RVABAONTTHRZLN-CYBMUJFWSA-N	322.368	1.987	50	20	DDGD	
C[C@@H](CN1CCCCCC1)C(=O)NN=CC1CCN(C)CC1	872337018	RJRZSTVSTFLVKB-HNNXBMFYSA-N	308.470	1.942	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC[C@H]2CCOC2)cc1F	1117807749	ZOCGGZIQTRMXFL-SECBINFHSA-N	311.313	1.275	50	20	DDGD	
COC(=O)c1cnc(C(=O)NNc2cc(F)cc(OC)c2)cn1	779674189	GECXWLUHKNAGFY-UHFFFAOYSA-N	320.280	1.168	50	20	DDGD	
CC1(C)C[C@]1(C(=O)O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1118809329	HPGJSUWQMDMDDI-UPZJHPNMSA-N	304.184	1.777	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)[C@H]1CCCCS1(=O)=O	776146069	FHAPKRSZFKSCHY-CYBMUJFWSA-N	320.374	1.040	50	20	DDGD	
CC(C)[C@](C)(O)C(=O)NNC(=O)c1cc(-c2ccccc2)on1	771113657	HZANIUDPNZIYRI-INIZCTEOSA-N	317.345	1.510	50	20	DDGD	
COC1(OC)CCOC[C@H]1NC[C@@H](CBr)C1CC1	1119827174	ZABSRZDHIPQEFI-VXGBXAGGSA-N	322.243	1.775	50	20	DDGD	
CCCc1ncc(C(=O)O[C@H](C)C(=O)NNC(=O)CC)s1	772156042	PKZICTQBTRQPDJ-MRVPVSSYSA-N	313.379	1.198	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H](OC)CCN1C[C@H](C)CBr	770669384	VHNXTIDBKTVQSA-VWYCJHECSA-N	308.216	1.670	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)C(C)C)cc1Cl	770348288	JQZMQQFOFMEMND-UHFFFAOYSA-N	313.741	1.935	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CCn1ccccc1=O	772860657	RAUYKKPKYCQZEZ-UHFFFAOYSA-N	301.350	1.295	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C(C)c1cnn(C)c1C	778538562	NIESVSBSFHKFOW-UHFFFAOYSA-N	316.361	1.656	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)C2)cc1OC	776285221	JRDCPEIFQZBTGH-WDEREUQCSA-N	306.362	1.901	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H](C)Cc2c(C)n[nH]c2C)n1	1116179111	CUFVDIXTYPXAHV-MRVPVSSYSA-N	302.382	1.755	50	20	DDGD	
CNS(=O)(=O)CCCNC(=O)c1cccc(CCl)c1	1120762137	BRBLQZRHXMNCIX-UHFFFAOYSA-N	304.799	1.095	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@]1(C)CC(c2ccccc2)=NO1	887150605	PYHOFARZSMPDDJ-KRWDZBQOSA-N	313.357	1.521	50	20	DDGD	
CCN(CC)S(=O)(=O)CC(=O)NNc1ccc(F)c(F)c1	885110776	KXQVJCFZPNEUGW-UHFFFAOYSA-N	321.349	1.080	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccc(C(=O)C(F)(F)F)cc1	880431295	WHGHJOYKGMVPTD-UHFFFAOYSA-N	315.251	1.994	50	20	DDGD	
Cc1nc(O)nc(O)c1NC(=O)[C@H](Br)C(C)(C)C	778964899	MVJKUVFWXQVXSU-ZETCQYMHSA-N	318.171	1.944	50	20	DDGD	
NC(=O)N1CCC[C@@H](C(=O)NNc2ccc(Cl)cc2F)C1	885109757	CMGMDCKBTGJXFM-MRVPVSSYSA-N	314.748	1.713	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1nc(Cl)ccc1Cl	887139208	FWEQMMDPARQFJT-UHFFFAOYSA-N	300.145	1.953	50	20	DDGD	
Cc1ccc(N2CCNC2=O)cc1NC(=O)NNC(=O)C1CC1	786255021	MZRXXGGEMHDVCN-UHFFFAOYSA-N	317.349	1.087	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H]1CCN(CC2CC2)C1	787332619	SEVDSMLSHOGOAK-QOBZYLRHSA-N	311.385	1.900	50	20	DDGD	
CC(C)c1ccc(OCC(=O)NNC(=O)C2CCOCC2)cc1	883059600	DIJUUIQBNUCCHH-UHFFFAOYSA-N	320.389	1.763	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1ccc([N+](=O)[O-])c(O)c1	781834382	XJZFVKUNWRUJNS-UHFFFAOYSA-N	309.669	1.501	50	20	DDGD	
COC(=O)NCCCC(=O)OC[C@@]1(C)C[C@@H]1Br	1123141714	MNYVHCYYMCVTTM-GZMMTYOYSA-N	308.172	1.839	50	20	DDGD	
COc1cc(C=NNC(=O)C2CC2)ccc1OCCC(=O)O	783789207	OLMNOGNEVZPQQI-UHFFFAOYSA-N	306.318	1.409	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)n1cc(-c2ccc(OC)cc2)nn1	881293355	OAOPTMIFNINQEV-JTQLQIEISA-N	317.349	1.072	50	20	DDGD	
C[C@H](CN1CCOCC1)NC(=O)[C@H](Br)C(C)(C)C	781075427	UCQSKHPDUVRMJM-MNOVXSKESA-N	321.259	1.633	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C2=CCCCC2)c1	782215679	KQTYNDVVLRUJIL-UHFFFAOYSA-N	304.346	1.965	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@@]1(OC)CCSC1	897563455	MQPWDHXABKOWSM-CYBMUJFWSA-N	300.355	1.800	50	20	DDGD	
C=C[C@](C)(CCOC)C(=O)NNC(=O)c1cccc(C#N)c1	782437043	HWOFQZVPMHAVAY-MRXNPFEDSA-N	301.346	1.548	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)N=c2cc[nH]cc2)cc1F	795002738	NHOOAOCYQRJIGG-UHFFFAOYSA-N	319.365	1.974	50	20	DDGD	
COc1ccc([C@H](C)C(C)=NNC(=O)CN(C)C)cc1OC	794507174	YFQYEXZEULHFMN-LLVKDONJSA-N	307.394	1.861	50	20	DDGD	
CCCNC(=O)[C@@H]1CCCN(C(=O)NCCSSC)C1	790879084	NIZFKMVGSKAYAP-LLVKDONJSA-N	319.496	1.945	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(C)n2)cc([N+](=O)[O-])c1	794072728	PAKRSGGLZDQAJH-UHFFFAOYSA-N	314.301	1.681	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	798126671	AETDBNYWRACXEI-BXUZGUMPSA-N	322.409	1.966	50	20	DDGD	
C[C@H]1CSCC1=NNC(=O)c1ccc(-n2cnnn2)cc1	794881409	JXFNMFDPHHOUGX-VIFPVBQESA-N	302.363	1.131	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@H](C)c1nnnn1C1CC1	791081798	MGYTZCZOHWYGHC-SECBINFHSA-N	302.342	1.099	50	20	DDGD	
CN(CCC(=O)NNC(=O)NC1CCCC1)C1CCCCC1	791127479	GYMDSMBFDNTLBS-UHFFFAOYSA-N	310.442	1.914	50	20	DDGD	
O=S(=O)(NCCc1cnoc1)c1ccc(CCCl)cc1	718869531	FZNMNBTXVVHHSZ-UHFFFAOYSA-N	314.794	1.977	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C[C@@H]1C(=O)Nc2ccccc21	1318223102	GHWHMGRSALFNBQ-JTQLQIEISA-N	306.391	1.016	50	20	DDGD	
CC(C)=CCNC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1329528569	SLRUTONOFSCNSV-CABZTGNLSA-N	303.200	1.359	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CCO)c(Cl)c1Cl	1320280804	UZTWJSBFGJHFNJ-UHFFFAOYSA-N	306.149	1.837	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)ns1	1320799983	LHMRBRWEEFAVQN-UHFFFAOYSA-N	305.363	1.128	50	20	DDGD	
CN(NC(=O)c1ccn(CC(F)(F)F)n1)C(=O)OC(C)(C)C	1358305411	BXCHFROSOWTETG-UHFFFAOYSA-N	322.287	1.957	50	20	DDGD	
O=C(Cc1ccnc(F)c1)NNc1ccc(C(=O)O)c(F)c1	1608369038	AGZJGFMGWCIUBE-UHFFFAOYSA-N	307.256	1.744	50	20	DDGD	
CC(C)c1ncc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)[nH]1	1603412018	FIMNCYAOHSKTII-UHFFFAOYSA-N	312.337	1.470	50	20	DDGD	
C=CCOC(=O)/C(C#N)=C/c1c(F)cc(-c2nn[nH]n2)cc1F	1602867158	XFWMHPHBKZTXAA-RUDMXATFSA-N	317.255	1.781	50	20	DDGD	
Cc1c(NNC(=O)c2cncc(Cl)n2)cccc1C(=O)O	1600055237	PFZBRNNCQHOXCP-UHFFFAOYSA-N	306.709	1.894	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC[C@@H]2C[C@@]21C(=O)O	1603613370	YXOCJELAUAGFRP-SKDRFNHKSA-N	309.815	1.520	50	20	DDGD	
O=C(C[C@H]1CCCO1)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1606502863	UGIADWDLQLVXND-SECBINFHSA-N	322.756	1.532	50	20	DDGD	
N#C/C(=C/c1ccc(-c2nn[nH]n2)s1)C(=O)C1CCOCC1	1606336410	ZZTNCLYIABTRFI-YFHOEESVSA-N	315.358	1.831	50	20	DDGD	
Cn1cnc(/C=C\C(=O)NNc2ccc(F)c(C(=O)O)c2)c1	1600990241	MABQEPFQZPTENQ-HYXAFXHYSA-N	304.281	1.414	50	20	DDGD	
CCCC(O)(CCC)CC(=O)NNc1ccc(C(=O)O)cn1	1609958239	LQFLUNZSQQRKHY-UHFFFAOYSA-N	309.366	1.944	50	20	DDGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1c[nH]c(C(=O)O)c1	1601562118	SXVYIUXABTYMFR-UHFFFAOYSA-N	320.252	1.945	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)C(F)(F)C2(O)CCC2)cc1	1608780546	OUFGVAAXKKNOBP-UHFFFAOYSA-N	314.288	1.307	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccc([C@@H]2C[C@H]2C(=O)O)cc1	1601553442	HWIUBBVXZAPIAN-NWDGAFQWSA-N	303.318	1.437	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc2[nH]nc(C(=O)O)c2c1	1604917954	FGSBHRCXVPSHKF-SSDOTTSWSA-N	319.321	1.460	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2cccc(F)c2C(=O)O)c[nH]1	1600065522	JICNDHKTSNHBBI-UHFFFAOYSA-N	305.265	1.278	50	20	DDGD	
O=C(NCc1ccnc(F)c1)NNc1ccc(F)c(C(=O)O)c1	1601545456	LMTTZQRMZGNSGB-UHFFFAOYSA-N	322.271	1.884	50	20	DDGD	
Cc1cnc(Cl)cc1C(=O)NNc1ccc(C(=O)O)cn1	1600623160	FSLWTLDVBJCHGF-UHFFFAOYSA-N	306.709	1.894	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)nc(NC[C@@]2(C)C[C@H]2Br)n1	1605574930	GHIFXCZZCJJLOL-LDYMZIIASA-N	324.186	1.551	50	20	DDGD	
C#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(Cl)Cl)C2	1804188411	OSBYVHLLOZEGAN-JGPRNRPPSA-N	317.216	1.842	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1ccncc1Cl	1549317148	VSAVQLPPGZZXBV-BXUZGUMPSA-N	322.796	1.438	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1csc(C)c1	1549316197	RSEQBQOUBKZNQH-KBPBESRZSA-N	307.419	1.760	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@H]2C=NNC(=O)c2ccon2)cn1	1553288365	ZFHZWYGCZLHGFV-GXFFZTMASA-N	303.322	1.384	50	20	DDGD	
COc1cccc([C@H](N)C(=O)NNc2ccc(Cl)cn2)c1	1579264038	DFIRGXNMONCICD-ZDUSSCGKSA-N	306.753	1.887	50	20	DDGD	
CO[C@H]1CN[C@H](C(=O)NNc2ccc(OC(F)F)cc2)C1	1574006816	TXJKLNUWRQRUKG-MNOVXSKESA-N	301.293	1.108	50	20	DDGD	
CC(C)N(C)CC(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843367403	ZLZVUHGEGQRUKZ-LBPRGKRZSA-N	319.808	1.064	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)CC(C)(C)O)C2	1845164053	ICJQQMKANQPDOG-NSHDSACASA-N	316.829	1.368	50	20	DDGD	
COC[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](F)Cl	1847865879	ZLTNUJSCQCKOHH-VPOLOUISSA-N	306.765	1.005	50	20	DDGD	
O=C(NNc1c(F)cccc1F)c1ccc(-c2nn[nH]n2)o1	1593160692	KYNRTIJLGMBPAL-UHFFFAOYSA-N	306.232	1.495	50	20	DDGD	
O=C(O)CCC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	1594996694	JQQRBMTZEATRCF-UHFFFAOYSA-N	304.224	1.331	50	20	DDGD	
N#Cc1ccc(C(=O)NN=Cc2ccc(-c3nn[nH]n3)cc2)cc1	1592690642	OOTNRGBWQNLQHT-UHFFFAOYSA-N	317.312	1.502	50	20	DDGD	
O=C(NNc1ncccc1F)c1cccc(F)c1-c1nn[nH]n1	1593167550	KXZJPHTWLSDAAZ-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1C[C@@H](C(=O)O)Oc2cc(F)ccc21	1596860267	IEPQURZEXUNLST-XEHSLEBBSA-N	320.276	1.448	50	20	DDGD	
CC[C@H](C(=O)NNc1ccc(C(=O)O)cc1OC)C(=O)OC	1594735806	IEYLMSGUODHMQG-SECBINFHSA-N	310.306	1.036	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cc(C(=O)O)no2)c1C	1599000088	ZIVMJVZTRQAFJF-UHFFFAOYSA-N	319.273	1.225	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@H]1CC12CCOCC2	1599375747	DKQYYAMJXSRMSI-NSHDSACASA-N	320.345	1.653	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)c1C	1593896611	CQIGGUXVOLKEET-MNOVXSKESA-N	320.345	1.726	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNC(=O)[C@@H]2CCCCO2)c1	1594288596	ZCDWKYZUFVITSS-LBPRGKRZSA-N	306.318	1.023	50	20	DDGD	
CCn1cc(CC(=O)NNc2ccc(F)c(C(=O)O)c2)cn1	1597884271	HHOKVJVXXLCRCM-UHFFFAOYSA-N	306.297	1.426	50	20	DDGD	
Cc1cc(=NC[C@@]2(C)C[C@H]2Br)c(-c2nn[nH]n2)c[nH]1	1592041346	FGKCGWIEMDNJDL-ZYHUDNBSSA-N	323.198	1.577	50	20	DDGD	
COc1cc(OC)c(C(=O)O)cc1/C=C(\C#N)S(C)(=O)=O	1777325676	IVUSKAOJWFAVKG-RUDMXATFSA-N	311.315	1.311	50	20	DDGD	
Cc1nc(C=NNC(=O)Nc2ccc(C(=O)O)cc2)[nH]c1C	1776046041	YFXMRGNMBMYJKF-UHFFFAOYSA-N	301.306	1.880	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)c1cn(C)cn1	1776045961	VAEZXUAEMOJSOE-UHFFFAOYSA-N	301.306	1.664	50	20	DDGD	
CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@](C)(Cl)CCl)C2)C1	1781228685	ZAFUZTCRHPMDES-OLZOCXBDSA-N	323.220	1.073	50	20	DDGD	
CC[C@H](NC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl	1796805876	CGKQMNHJDYXDON-KZZRWZIVSA-N	319.808	1.157	50	20	DDGD	
O=C(NNC(=O)c1cccc(Br)c1)c1cccnc1	15508281	WWYWLEKJXAKCAJ-UHFFFAOYSA-N	320.146	1.919	50	20	DDGD	
CCC(C)(CC)C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12	162110130	ZNRPAAOPKFZLPA-UHFFFAOYSA-N	316.361	1.510	50	20	DDGD	
Cc1nc(CC(=O)NNC(=S)NCC2CCC2)c(C)s1	164666667	HOYHGUCPHCLNSQ-UHFFFAOYSA-N	312.464	1.598	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@]1(O)CCSC1)c1ccccc1	153886820	LXCFAAXUNUKBMN-SWLSCSKDSA-N	308.403	1.196	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@H](CCCO)c1ccccc1	156335599	XLTWDMSYTLFYBQ-CYBMUJFWSA-N	316.361	1.473	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc2ccccc2cc1O	154650432	SLVCLGYMGCCIBF-OAHLLOKOSA-N	314.341	1.876	50	20	DDGD	
CC1(C)CCN(S(=O)(=O)CCCCl)CC[S@@]1=O	321926044	ZNOPBYNVVAWGBU-INIZCTEOSA-N	301.861	1.178	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)c2ccccc2O)cc1	7415881	VBGMKYVYTNDWTL-UHFFFAOYSA-N	322.342	1.024	50	20	DDGD	
COc1ccc(C(=O)NNc2ncccn2)cc1OC(F)F	52409907	SPFFIQFMBIVZIS-UHFFFAOYSA-N	310.260	1.844	50	20	DDGD	
COc1cc(C)nc(NNC(=O)COc2cccc(C)c2)n1	174496993	CQNCQVZHYIAKLO-UHFFFAOYSA-N	302.334	1.624	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)c2cscn2)nc2ccccc21	103063081	WSILTTLUKCKJCN-UHFFFAOYSA-N	315.358	1.034	50	20	DDGD	
CC(C)c1noc(OCC(=O)NNC(=O)c2cccs2)n1	107418609	HJFUHMIJFVUZDL-UHFFFAOYSA-N	310.335	1.095	50	20	DDGD	
Cc1ccc(F)c(S(=O)(=O)NNC(=O)c2ccccc2O)c1	55556919	GAIQBAMFLNTIDI-UHFFFAOYSA-N	324.333	1.463	50	20	DDGD	
C[S@@](=O)CCCNC(=O)NNC(=O)c1cccc(Cl)c1	172072158	NTWNMELYWSOSTR-HXUWFJFHSA-N	317.798	1.053	50	20	DDGD	
Cc1ccc([C@@H]2COCCN2C(=O)NNC(=O)C(C)(C)C)o1	116957922	VMLPBIIPDCAYNA-NSHDSACASA-N	309.366	1.748	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cn2nc(C)c(Cl)c2C)n1	174472749	OAEOFAYPMSBIQT-UHFFFAOYSA-N	324.772	1.404	50	20	DDGD	
CC(=O)NNC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1	171236020	PUZLGBRXPMZNAF-UHFFFAOYSA-N	323.437	1.799	50	20	DDGD	
COCCCNC(=O)NNC(=O)COc1cccc(C(C)C)c1	65205473	LBPVSFOELZQBRV-UHFFFAOYSA-N	323.393	1.556	50	20	DDGD	
O=C(Cn1cc([N+](=O)[O-])cn1)NNc1cccc2c1CCCC2	179025190	MNEFBUIOCKCXDQ-UHFFFAOYSA-N	315.333	1.813	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2c[nH]c(C#N)c2)c1	179914957	FVNBJYHDQJVRIW-UHFFFAOYSA-N	312.329	1.343	50	20	DDGD	
CC(C)(C)[C@H](NCC(=O)NNC(=O)C1CC1)c1ccccc1	112977463	NYXIQFJEMFHBTH-OAHLLOKOSA-N	303.406	1.921	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)c2cncn2-c2ccccc2)C1	1346071844	ZJTFRHRDEQPEOU-NSHDSACASA-N	312.329	1.003	50	20	DDGD	
CC(C)CONC(=O)NNC(=O)c1cccc2ncccc12	127802845	SOGBNQFZTNRFCC-UHFFFAOYSA-N	302.334	1.766	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)Oc2ccc(C#N)cc2)nc(C)n1	128684172	QGOFKCOQXDTITF-NSHDSACASA-N	311.345	1.876	50	20	DDGD	
O=C(CCNc1ccccc1[N+](=O)[O-])NNc1ncc(F)cn1	123104806	ZWQHEDDLSMCEBR-UHFFFAOYSA-N	320.284	1.469	50	20	DDGD	
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NNc1ncccn1	124004033	DWROSQNYNOMQQB-HNNXBMFYSA-N	323.356	1.884	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)CC(=O)NCC(F)(F)F	184387838	VZXCXYIZXRKAKJ-UHFFFAOYSA-N	307.247	1.646	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1nc2cc(OC)ccc2n1C	187298689	JCTOKLSRVMTUBW-ZHACJKMWSA-N	314.345	1.642	50	20	DDGD	
Cc1cnc(C(=O)NNC(=S)NCCc2cccs2)cn1	30870431	LXGNRXMCXDJRIP-UHFFFAOYSA-N	321.431	1.198	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(OCC(F)F)ccn2)ncn1	183541143	IQONTPXENIRKFP-UHFFFAOYSA-N	309.276	1.581	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)COCC1CC1	76339704	OXQCOKOESKYYDQ-JTQLQIEISA-N	310.325	1.167	50	20	DDGD	
Cc1cccc(C(=O)N[C@H](C(=O)NNC(=O)C2CC2)C(C)C)c1	78715171	CJDIGTVZBMQFDE-AWEZNQCLSA-N	317.389	1.307	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(OC(F)F)cc1)S(C)(=O)=O	123059240	HODMCOVYZJSGIK-SSDOTTSWSA-N	308.306	1.164	50	20	DDGD	
Cc1ccc(NNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1	120434844	LZKXURKJOUFYKP-UHFFFAOYSA-N	309.325	1.978	50	20	DDGD	
Cc1ccnc(NC(=O)NNC(=O)Cc2ccccc2F)c1	184260777	LJZVTUKLRFVQJJ-UHFFFAOYSA-N	302.309	1.925	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)Cc1cc[nH]n1)c1ccc(F)cc1F	186110188	WGJZBGAPYKQVHN-VIFPVBQESA-N	322.315	1.572	50	20	DDGD	
C[C@H](NC(=O)NN[C@]1(C)CCS(=O)(=O)C1)c1ccccc1	42846604	SZKFLIADZJSNJB-SMDDNHRTSA-N	311.407	1.129	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccc(F)cc2C)c1O	137369614	DPCRHFZMKNOEJP-UHFFFAOYSA-N	318.304	1.923	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCO1)c1cc(-c2cccs2)n[nH]1	130336367	XQZUWQKPWHPFMB-SNVBAGLBSA-N	306.347	1.078	50	20	DDGD	
CC[C@H](Oc1ccccc1F)C(=O)NNc1nccnc1OC	131777255	VZGTXXPMGFNFNL-NSHDSACASA-N	320.324	1.925	50	20	DDGD	
O=C(NCCn1ccnc1)NNC(=O)c1ccc(Cl)cc1	43312100	GAWNBCHHXMXGQZ-UHFFFAOYSA-N	307.741	1.181	50	20	DDGD	
O=C(NNC(=O)c1cc(F)cc2nccnc12)c1ccccc1	193593197	DZBDWAUWNVQAMS-UHFFFAOYSA-N	310.288	1.844	50	20	DDGD	
N#Cc1cc(C(=O)NNc2nnc(-c3ccccn3)s2)c[nH]1	191006612	BQYMXMFVLTZUTF-UHFFFAOYSA-N	311.330	1.557	50	20	DDGD	
COc1ccc(Cl)cc1NCCC(=O)NNC(=O)N(C)C	194937665	OKCQAFWKXZPLOB-UHFFFAOYSA-N	314.773	1.453	50	20	DDGD	
CCN(CC(=O)NNC(=O)CCc1ccc(OC)cc1)C1CC1	138513728	BBOIKMKCCAMVJI-UHFFFAOYSA-N	319.405	1.260	50	20	DDGD	
COc1cccc([C@H](C)C(=O)NNc2cc(Cl)nc(N)n2)c1	134088723	PSUBORSYIKSTAN-QMMMGPOBSA-N	321.768	1.968	50	20	DDGD	
NC(=O)c1ccc(NS(=O)(=O)CCCCCl)cc1F	190763659	ZAUUGTUJAGDTKH-UHFFFAOYSA-N	308.762	1.685	50	20	DDGD	
CN(C)c1ccnc(C(=O)NNC(=O)c2ccc(C#N)cc2)c1	195198842	OTGYOVCRLAPWGZ-UHFFFAOYSA-N	309.329	1.094	50	20	DDGD	
CC(=O)NNC(=O)c1csc(I)c1	82563523	GFFWIQZPHUVKFU-UHFFFAOYSA-N	310.116	1.134	50	20	DDGD	
O=C(NNC(=O)c1ccc(OCC(F)F)nc1)c1ccccc1	90066851	ZJSCSTRIDJBCSL-UHFFFAOYSA-N	321.283	1.800	50	20	DDGD	
CCN(Cc1ccccc1)c1ccc(C=NNC(=O)C(N)=O)cc1	254821085	CPVSCSDNDYUWKI-UHFFFAOYSA-N	324.384	1.649	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CNC(=O)CC(C)(C)C)n1	267115552	SGWHLEKHRUDYOG-UHFFFAOYSA-N	313.789	1.434	50	20	DDGD	
C[C@@H](NC(=O)NN(C)c1ccccc1)[C@@H](C)N1CCOCC1	265509128	FOELMHFOENHRGH-ZIAGYGMSSA-N	306.410	1.446	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C(C)(C)S(C)(=O)=O)c1	269616920	PATLPJIJUZGZHY-UHFFFAOYSA-N	304.343	1.101	50	20	DDGD	
CC1CCN(CC(=O)NNC(=O)COc2ccc(F)cc2)CC1	268453086	AQPSLTGKMPJWKN-UHFFFAOYSA-N	323.368	1.084	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccnc(OCC(F)F)c1	270242100	RIRUYXGUUHJFDR-UHFFFAOYSA-N	317.292	1.895	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)c1ccc(Cl)cc1O	279989247	GLSQHSNOERKJGU-ZDUSSCGKSA-N	300.742	1.622	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccn(Cc2ccncc2)n1	273615616	XFQYGNGPIZFGSS-UHFFFAOYSA-N	316.365	1.525	50	20	DDGD	
CO[C@H]1CN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C[C@H]1OC	279353567	UIUKRJDMFDHXBJ-MCDRHDKESA-N	302.330	1.171	50	20	DDGD	
COC(=O)c1cccc(S(=O)(=O)N2CC=C(C#N)CC2)c1C	272738897	IBLKURVYSJRJQN-UHFFFAOYSA-N	320.370	1.626	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@@H]2C[C@]23CCc2ccccc23)n1	377877186	AGZGFTCGEPVYPL-KSSFIOAISA-N	323.400	1.890	50	20	DDGD	
C[C@H]1OCC[C@]1(O)CNC(=O)/C(C#N)=C\c1ccc(F)cc1	279590105	VAROWSPDJMOURW-WYRUSDGCSA-N	304.321	1.389	50	20	DDGD	
O=C(NCCC1(O)CCC1)NNC(=O)c1c[nH]c2ccccc12	284588930	GUMJZRSZXSGWFO-UHFFFAOYSA-N	316.361	1.417	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCOC[C@@H]1[C@@H]1CCCO1	375660337	MEYIXBQIJBMUHP-NEPJUHHUSA-N	311.831	1.215	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Nc1cccc(F)c1	284210653	ZFAIMKPGOGPFKZ-UHFFFAOYSA-N	313.329	1.768	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNC(=O)C2CC2)cc1Cl	287932277	HDNKSTVILBDLSS-UHFFFAOYSA-N	309.753	1.398	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1ccc2[nH]c(=O)[nH]c2c1	287221124	ONTYTQMYJAVAGK-UHFFFAOYSA-N	324.344	1.671	50	20	DDGD	
CSSCCNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1	284159092	QTIRNWIBHLFNKI-JTQLQIEISA-N	314.432	1.756	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)Nc2cccc(Cl)c2)CC1	289259907	QKBJMMPCPPZMOQ-UHFFFAOYSA-N	311.773	1.334	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@@H](C2CC2)C1	288602884	MWPNIGHOUUBCEX-CQSZACIVSA-N	302.378	1.487	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCSC(F)(F)F)n1	280432869	ZVMSPEAPTIWFHQ-UHFFFAOYSA-N	322.312	1.587	50	20	DDGD	
Cc1nc2cc(C(=O)NNC(=O)[C@@H]3CCCCO3)ccc2o1	295379752	KOIIUWWRLCSLGD-ZDUSSCGKSA-N	303.318	1.466	50	20	DDGD	
C[C@H](C(=O)NNc1nnc[nH]1)N(C(=O)OC(C)(C)C)C1CC1	298086945	ARIMYRGZWFBKTP-MRVPVSSYSA-N	310.358	1.036	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)OC(C)(C)C)Cc1ccccc1	298093319	LRCXVIOSHGXOSJ-CYBMUJFWSA-N	323.393	1.983	50	20	DDGD	
CO[C@H](Cc1ccccc1)C(=O)NNC(=O)NC1CCCC1	294792544	SUTBVDAXCHFPNM-CQSZACIVSA-N	305.378	1.517	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H](C)CC(C)(C)O)cc(C#N)n1C	297139795	ICJGGLRWKIYZRD-REPOHMLUSA-N	314.389	1.778	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12	298990956	IMHYEBFTPWTYAV-UHFFFAOYSA-N	304.306	1.883	50	20	DDGD	
CCC(=O)N1CC[C@H](NC(=O)NNc2cccc(Cl)n2)C1	293144659	WKGJCMMAELJGBH-VIFPVBQESA-N	311.773	1.372	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H](C)CO[C@@H]2CCOC2)cc1	297966776	NKRAPETXRFIJTB-SWLSCSKDSA-N	323.393	1.905	50	20	DDGD	
CCOCC(C)(C)CNC(=O)NNC(=O)Cc1ccccc1C	808361616	WGCXFBFGHZJGSK-UHFFFAOYSA-N	321.421	1.931	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H]1CCN(C)C(=O)C1	805375817	BJAMVTSGLFAZFJ-SNVBAGLBSA-N	306.322	1.215	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Nc2cc(C)on2)cc1OC	804027953	JMUHNNIJFODHNX-UHFFFAOYSA-N	320.305	1.467	50	20	DDGD	
CN(NC(=O)[C@@H]1CCc2cnn(C)c2C1)C(=O)OC(C)(C)C	297226706	MCQIEJLWWJELLE-SNVBAGLBSA-N	308.382	1.423	50	20	DDGD	
COCCN(C)NC(=O)c1cccc(F)c1Br	296953662	CMRKLTHWAVQVAA-UHFFFAOYSA-N	305.147	1.811	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	298659604	OFJUTKUIYPFJJL-OPQQBVKSSA-N	310.325	1.165	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H](C)N(C)Cc2ccccc2)O1	293968520	RTPFEWPEZVKGEI-YDHLFZDLSA-N	319.405	1.222	50	20	DDGD	
CCc1ccccc1[C@@H]1C[C@H]1C(=O)NNc1nccn(C)c1=O	802554053	LMNBARLLZGYCRR-UONOGXRCSA-N	312.373	1.590	50	20	DDGD	
O=C(CCN1CCCCCC1)NN=C1CCC(C(=O)O)CC1	814757944	CSSKVQUJZPYDRE-UHFFFAOYSA-N	309.410	2.000	50	20	DDGD	
Nc1ccc2c(c1)C(=NNC(=O)CN1CCCC1=O)CCC2	814760753	FFFTXPDMZIOPCL-UHFFFAOYSA-N	300.362	1.048	50	20	DDGD	
O=C(NN=Cc1cccnc1Cl)C(=O)Nc1ccccn1	814869307	HZSGEVFSRKMHNY-UHFFFAOYSA-N	303.709	1.219	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cc3c(cn2)CCCC3)n[nH]1	813015600	JSMKYVUXCLROLH-UHFFFAOYSA-N	314.349	1.458	50	20	DDGD	
COc1cccc(C2=NO[C@H](C(=O)NNC(=O)CC3CC3)C2)c1	819123422	YEIALFKIGDXCAB-AWEZNQCLSA-N	317.345	1.136	50	20	DDGD	
CCCCN(C)C[C@H](C)NC(=O)NNC(=O)CC(C)(C)C	811931574	NQLUSSYJLXKTQR-LBPRGKRZSA-N	300.447	1.873	50	20	DDGD	
O=C(NN=C1CC(c2cc(F)cc(F)c2)C1)C(=O)N1CCCC1	814825057	WITLVPGMRGHKKV-UHFFFAOYSA-N	321.327	1.937	50	20	DDGD	
O=C(Cn1cc(-c2ccccc2)nn1)NNc1ncncc1F	817081273	YMBQJSUWEKYCAG-UHFFFAOYSA-N	313.296	1.018	50	20	DDGD	
CCC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1cccc(N)c1	814762426	AAVIWJYLRWYRGF-ZDUSSCGKSA-N	318.421	1.467	50	20	DDGD	
CCc1nn(C)c(OC)c1C=NNC(=O)c1ccc(O)cc1	814691603	JJPKDBIQELBRQZ-UHFFFAOYSA-N	302.334	1.461	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1ccc2c(c1)OCO2	813464879	HZVYYADXSDKGCU-UHFFFAOYSA-N	300.274	1.277	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)NCC1CC1)c1ccc(Cl)cc1	815114909	OAUCPPZFQYWDOW-CQSZACIVSA-N	311.769	1.288	50	20	DDGD	
CCn1nncc1C(=O)NNC(=O)c1cc(C)nc2ccccc12	816560511	QQUZHPIWYNVJRH-UHFFFAOYSA-N	324.344	1.229	50	20	DDGD	
CCC[C@@H]1C[C@H]1C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	812635297	YEOQCFOAAWCMKV-ZIAGYGMSSA-N	318.373	1.735	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CCC[C@H](CC(=O)O)C1	818953974	HIXIGKNQHHSIRN-GFCCVEGCSA-N	319.361	1.536	50	20	DDGD	
C[C@@H](CC(=O)NNc1cccc(-c2nn[nH]n2)c1)c1cccnc1	824384617	FJATUHIQCSXREU-NSHDSACASA-N	323.360	1.899	50	20	DDGD	
Cc1cccc(C2=CCN(CC(=O)NNC(=O)C(C)C)CC2)c1	828604828	ZRNLUMUNKPPQMY-UHFFFAOYSA-N	315.417	1.888	50	20	DDGD	
C[C@H](CC(=O)O)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	827304521	WSRHQKGAEUREJG-SSDOTTSWSA-N	324.724	1.944	50	20	DDGD	
CN(NC(=O)C(C)(C)CN1CCOCC1)C(=O)OC(C)(C)C	823552143	KOPZKEXGHGVZPH-UHFFFAOYSA-N	315.414	1.243	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCc3ccccc3CC2)cn1	491085323	QIBVQAKTCJQWAR-LICLKQGHSA-N	306.369	1.954	50	20	DDGD	
CC(C)c1nn(C)c2sc(C(=O)NN(C)[C@H](C)CO)cc12	823950819	FORKYJOIZYGQJY-SECBINFHSA-N	310.423	1.716	50	20	DDGD	
CNC(=O)NN=C1CCOC[C@H]1[C@H](C)NC(=O)OC(C)(C)C	496711265	ANYNIYASWAIKAI-UWVGGRQHSA-N	314.386	1.221	50	20	DDGD	
CCC[C@H](O)C(=O)NNc1cc(C#N)ccc1Br	825157864	YKMVJWTYPGIDSR-NSHDSACASA-N	312.167	1.925	50	20	DDGD	
COC(=O)NN=C(C)C[C@H]1COCCN1C(=O)OC(C)(C)C	495371827	KQLJTHIENGZEHC-NSHDSACASA-N	315.370	1.744	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNc1cccc(F)c1C(=O)OC	822728612	WOTUGCSMJZZXAT-QMMMGPOBSA-N	312.297	1.255	50	20	DDGD	
OB(O)c1cccc(CNc2ccc(CCN3CCCC3)cc2)c1	585012766	FZWSOGCNQPNYAX-UHFFFAOYSA-N	324.233	1.617	50	20	DDGD	
Cc1nn(C)cc1CC(=O)NNc1ncccc1C(F)(F)F	825985105	YJXMBHPZNLYPFO-UHFFFAOYSA-N	313.283	1.828	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(-c2ccccc2Cl)on1	823970131	CEKVPGUAUXNOLH-SECBINFHSA-N	309.753	1.952	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCc1ccc(O)c(F)c1	739060043	WOAXEZUUOOJYSR-UHFFFAOYSA-N	309.219	1.314	50	20	DDGD	
O=C(NCB(O)O)C1(c2cccc(C(F)(F)F)c2)CCCC1	585055581	FHXLLBKIAOCDNC-UHFFFAOYSA-N	315.100	1.645	50	20	DDGD	
C[C@@H]1CN(CCNC(=O)/C(C#N)=C/c2ccc(F)cc2)CCO1	490846680	VVBBRTZUGQORSK-QQFZQELXSA-N	317.364	1.570	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H]2C[C@@H]2C2CC2)o1	820202065	FGJWXZGXRWMEMP-BDAKNGLRSA-N	317.353	1.467	50	20	DDGD	
CC[C@H](NCc1ccccc1B(O)O)[C@H](O)c1ccccc1F	585027368	RFWQURWGPXDSAE-DLBZAZTESA-N	317.169	1.107	50	20	DDGD	
OB(O)c1ccc(CNc2cccc(C3CCOCC3)c2)o1	585049798	WVZIRAJWOHWYIZ-UHFFFAOYSA-N	301.151	1.466	50	20	DDGD	
CC[C@H](O)[C@@H](C)C(=O)NNC(=O)Cc1cccc2ccccc12	900049477	NPUAAJPAPINWKM-WBMJQRKESA-N	314.385	1.937	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNC(=O)Cc2ccccc2C)C1	838750086	RVXZMYWDCLXMEI-OKILXGFUSA-N	305.378	1.435	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@H]1C[C@H]2CCCCN2C1=O	838745421	UBRDSCRUVJTQGJ-YPMHNXCESA-N	320.368	1.914	50	20	DDGD	
CCCN(CC)c1ccc(C(=O)N2CC[C@H](B(O)O)C2)cc1	585070508	YJCPRAKZXPVLHT-AWEZNQCLSA-N	304.199	1.612	50	20	DDGD	
C[C@]1(C(=O)Nn2cc(Br)cn2)C[C@H]1Br	907105643	UZEMPTLNHODLBK-SVRRBLITSA-N	322.988	1.889	50	20	DDGD	
COC(=O)[C@H](C)Oc1ccccc1C=NNC(=O)C(F)F	901216808	HPCIDYHABNZYEF-QMMMGPOBSA-N	300.261	1.342	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](F)C(F)(F)F)cc1F	837058935	PMVWTYNGVOWFMK-QMMMGPOBSA-N	312.194	1.956	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)Cc2ccc(Cl)cc2)no1	735840357	HHYWWLUYFDYOQB-UHFFFAOYSA-N	307.737	1.569	50	20	DDGD	
C[C@]1(C(=O)NNc2nc(-c3ccncc3)no2)CCCCO1	837388603	RIPNYRFFJHYSJX-CQSZACIVSA-N	303.322	1.534	50	20	DDGD	
CCOc1ccc(OC)cc1NCc1cccc(B(O)O)c1	585012967	IIHQCFMNDBCJDJ-UHFFFAOYSA-N	301.151	1.386	50	20	DDGD	
C[C@@H]1CCC[C@@H]2CCCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]12	584933218	FNHSGBKFBMEKLU-IOASZLSFSA-N	301.195	1.407	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)C1CCOCC1)c1ccccc1C	905814172	DWUSMRAHUHGFFI-AWEZNQCLSA-N	306.362	1.257	50	20	DDGD	
C[C@]1(C(=O)NCCCOC[C@@H]2CCOC2)C[C@H]1Br	906777613	JQGVTMQMXBTTSP-LOWVWBTDSA-N	320.227	1.719	50	20	DDGD	
Cc1noc(C)c1[C@H](C)NC(=O)NNC(=O)Cc1cccnc1	733801798	YFANVMNOUGKDFR-VIFPVBQESA-N	317.349	1.321	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc(C#N)c(F)c1	831818110	OMHQUVQPHXWBMK-LDYMZIIASA-N	306.297	1.275	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)C3=CCC(C)(C)CC3)nc21	836696355	IMELCNBZLGXPIW-UHFFFAOYSA-N	316.365	1.649	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)N=c2cc[nH]cc2)CC[C@H]1C	838551186	WGXVGLURIPTYFE-NTZNESFSSA-N	305.382	1.664	50	20	DDGD	
CC(C)Oc1ccccc1CNCc1ccc(B(O)O)cc1F	585018940	XCNNTWNITMCFCA-UHFFFAOYSA-N	317.169	1.583	50	20	DDGD	
O=C(CCCn1c(=O)oc2ccccc21)NNc1cnccn1	734242430	FXAHDTVQXVAKHY-UHFFFAOYSA-N	313.317	1.308	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2c(C)[nH]c(C(=O)O)c2C)n1	832880745	VFYNLBBTQUHALH-UHFFFAOYSA-N	303.322	1.493	50	20	DDGD	
CO[C@H](C1CC1)[C@H](C)NC(=O)NNC(=O)c1ccc(C#N)cc1	836266226	VAYJIOZNNAPAHA-HZMBPMFUSA-N	316.361	1.316	50	20	DDGD	
CON(C)C(=O)CCC(C)=NNC(=O)Cc1ccccc1C	834963186	YBCZFTJYZCTRSR-UHFFFAOYSA-N	305.378	1.830	50	20	DDGD	
Cc1nc(C)c([C@H](C)N(C)C(=O)c2cccc(B(O)O)c2)s1	584944413	PEFFBRTYZWWOAY-JTQLQIEISA-N	318.207	1.273	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=S)N[C@@H]1CCCC[C@H]1C	734025709	CISFGGGNOYSMQK-IJLUTSLNSA-N	317.455	1.112	50	20	DDGD	
NC(=O)C(=O)NN=Cc1ccc(-c2nc3ccccc3s2)o1	916273835	CLTVIUIELZACER-UHFFFAOYSA-N	314.326	1.492	50	20	DDGD	
O=C1C[C@@H](CC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)CO1	833356560	VJPSZCQQDHSONF-ZETCQYMHSA-N	309.230	1.152	50	20	DDGD	
O=C(NCCCN1CCCCCC1=O)NNC(=O)C1CCCC1	915905356	AURCEBMESIVQBJ-UHFFFAOYSA-N	324.425	1.300	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@](C)(O)[C@H](C)c1ccccc1	747384049	QNHOSBSJQZMYCG-QLJPJBMISA-N	316.361	1.034	50	20	DDGD	
C[C@]1(C(=O)N[C@H]2Cc3ccccc3NC2=O)C[C@H]1Br	913157777	OXAGYDKJFDVTFR-WDMOLILDSA-N	323.190	1.840	50	20	DDGD	
Cc1sc(Cl)nc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843657832	QHWZDQMUFBVEGO-CAHLUQPWSA-N	303.771	1.291	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=C1CCO[C@@H]1C	747740617	HORITVBDZZNLHH-LLVKDONJSA-N	300.362	1.880	50	20	DDGD	
CN(NC(=O)Nc1ccc(Cl)cc1)C(=O)N1CCNCC1	841003022	MNRLYBGNVKPEIK-UHFFFAOYSA-N	311.773	1.334	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C[C@@H](OC)C(F)(F)F)n1	845691085	BRQYEGHQDFYTGN-SSDOTTSWSA-N	308.260	1.204	50	20	DDGD	
COC[C@@H](C)NC(=O)NNC(=O)c1cccc2ccccc12	742710159	OMSLCOVCJVEVMX-LLVKDONJSA-N	301.346	1.819	50	20	DDGD	
CN(C)CCc1ccc(C(=O)NNC(=O)NCC2CC2)cc1	847391459	ZQRQFYVEQUJUMX-UHFFFAOYSA-N	304.394	1.145	50	20	DDGD	
CCc1ncncc1C(=O)NNc1ccc(Br)nc1	743406572	NDAXISUVZRBTMS-UHFFFAOYSA-N	322.166	1.953	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@@H]1CCCNCC1	846669896	IZOOVHGSBUSVDU-GFCCVEGCSA-N	301.350	1.569	50	20	DDGD	
CNC(=O)C1(C(=O)NNC(=O)c2cc3ccccc3o2)CCC1	749466870	ATXMVKUYJSQJOU-UHFFFAOYSA-N	315.329	1.110	50	20	DDGD	
CC(C)(C)C(=O)NN=C1C(=O)Nc2cc3c(cc21)OCCO3	915966193	CARJSLHQUVKOCO-UHFFFAOYSA-N	303.318	1.276	50	20	DDGD	
Cc1cc2c(cc1C)[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)CO2	843654048	FEGCLJAPHOYSSD-OUCADQQQSA-N	318.373	1.352	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H](c1c(F)cccc1Cl)N(C)C	740738328	FNSXJOMPAIVJPF-GFCCVEGCSA-N	315.776	1.885	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H](CN)C2CCCCC2)n1	841941045	VZWYQPYONVOHHZ-LBPRGKRZSA-N	322.413	1.327	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1ccc2nc(O)[nH]c2c1	842553679	FXAKZBJAHQEXOP-ONGXEEELSA-N	302.334	1.534	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1cccc([N+](=O)[O-])c1	843654527	RPJFCTOVTJIPCP-MFKMUULPSA-N	321.333	1.100	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2c(c1)CCCC2	843640300	BOTYYRASQCNWNT-XHDPSFHLSA-N	302.374	1.751	50	20	DDGD	
CCCN1C[C@@H](C(=O)Oc2ccc([N+](=O)[O-])cc2OC)CC1=O	840306256	CCQFALJEXVQLQN-JTQLQIEISA-N	322.317	1.767	50	20	DDGD	
Cc1cnc(CCNC(=O)NNC(=O)OC(C)(C)C)c(C)c1	847412934	DVDSOBGJCSMMDJ-UHFFFAOYSA-N	308.382	1.980	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)CCNC(C)(C)C	929449289	GPCJGOLJLYSXNY-UHFFFAOYSA-N	317.393	1.182	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCCN(C)CCO)cc1	925008803	HOTGGKVMJRLXTK-NTCAYCPXSA-N	317.389	1.033	50	20	DDGD	
CNCCN(C)S(=O)(=O)c1ccc(CCCCl)cc1	842825156	MCPZRBSNVGNUCJ-UHFFFAOYSA-N	304.843	1.698	50	20	DDGD	
C[C@H]1CC(=NNC(=O)Cc2ccc(Cl)cc2)c2ncnn21	841612594	MHWUFGVSUWTMIX-VIFPVBQESA-N	303.753	1.959	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCCC1=CCNCC1	841989197	OHZJMRGJNSZMIC-UHFFFAOYSA-N	316.405	1.259	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)Cc1cccnc1)OCC1CC1	840429009	XKYKPRGHOMYYGR-UHFFFAOYSA-N	320.393	1.160	50	20	DDGD	
CCn1ccc(CNC(=O)NNC(=O)CCc2ccccc2)n1	840400137	VCQJCMPZEWVIOJ-UHFFFAOYSA-N	315.377	1.366	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc(C(F)(F)F)n1	843663020	VXROQCOICJWYKW-SFYZADRCSA-N	317.267	1.286	50	20	DDGD	
Cc1ccc(NNC(=O)c2cncc(N3CCOCC3)c2)cc1	757783449	PCVFRTOTSMUWHE-UHFFFAOYSA-N	312.373	1.984	50	20	DDGD	
CC(C[C@H]1CCOC1)=NNC(=O)CCCNC(=O)C(C)(C)C	853407894	YYMKTUULTNJDBP-CYBMUJFWSA-N	311.426	1.848	50	20	DDGD	
COC(=O)N1CCC[C@@H](NC(=O)NNc2ccc(C)c(F)c2)C1	853640789	BVZSDWKZJDMLHM-GFCCVEGCSA-N	324.356	1.991	50	20	DDGD	
CC[C@@H](CO)C(=O)NNc1cc(C#N)ccc1Br	855617681	IHMWDXBFXRTUNR-VIFPVBQESA-N	312.167	1.782	50	20	DDGD	
Cc1cc(NNC(=O)C[C@H]2CCS(=O)(=O)C2)ccc1Cl	928341983	MGDPMMSQGFKZKG-SNVBAGLBSA-N	316.810	1.916	50	20	DDGD	
O=C(CCc1ccon1)NNC(=O)CCc1ccccc1O	857118052	BEKBUMJHKFPRMS-UHFFFAOYSA-N	303.318	1.093	50	20	DDGD	
C[C@@]1(CNc2nnc(Cl)cc2C(N)=O)C[C@@H]1Br	856786991	SZHXFGCEQLHZMH-WKEGUHRASA-N	319.590	1.814	50	20	DDGD	
COCCCN(C)CCNC(=O)NNc1cc(F)ccc1F	920421323	LOWFLQGEQXKPKH-UHFFFAOYSA-N	316.352	1.559	50	20	DDGD	
C[C@@H](C(=O)N(C)CC(Cl)Cl)n1cnc2c(N)ncnc21	854479119	PLRWNEOTKOHZBC-LURJTMIESA-N	317.180	1.232	50	20	DDGD	
Cc1noc(C)c1CCC(=O)NNC(=O)c1cccc(Cl)n1	857322784	NVRGPFPLAQZKJL-UHFFFAOYSA-N	322.752	1.734	50	20	DDGD	
CCOCC(C)=NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C	853376272	IPKHKMXOQWJSCP-TZMCWYRMSA-N	308.382	1.416	50	20	DDGD	
Cn1cc(C=NNC(=O)C(=O)Nc2ccccn2)c2ccccc21	755768916	KJSNIENCHGFUEQ-UHFFFAOYSA-N	321.340	1.662	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NCCOCCF)cc1	852714596	HMBNJJGUZLTMQC-UHFFFAOYSA-N	314.317	1.017	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)c1c[nH]c2ccccc12)C1CC1	858159027	WEKKUGMHQGQFLH-AWEZNQCLSA-N	301.346	1.744	50	20	DDGD	
CC[C@H](CCO)CNC(=O)NC[C@@]1(C)C[C@H]1Br	856953646	MLOYYRUAZFAWBQ-CKYFFXLPSA-N	307.232	1.868	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@](C)(O)c1ccc(F)cc1	929430114	VOFNDIPMWICSCN-AWEZNQCLSA-N	313.398	1.327	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)NC[C@H](C)C1CC1	920048946	GPNWVCLRJAWTRH-NSHDSACASA-N	321.377	1.451	50	20	DDGD	
C[C@H](C(=O)NC(C)(C)C)N(C)CCI	759453480	XBMLURLRPBSOSW-MRVPVSSYSA-N	312.195	1.656	50	20	DDGD	
Cc1cc(C)n(CCCNC(=O)NNc2ncc(Cl)cn2)n1	856830058	DJTDWCVCFBQPSS-UHFFFAOYSA-N	323.788	1.660	50	20	DDGD	
Cn1cnc2c(C(=O)NC[C@]3(C)C[C@H]3Br)ccnc21	857388492	SWAGJCKGQJPWAF-RNCFNFMXSA-N	323.194	1.872	50	20	DDGD	
Cn1nc(C(=O)NC[C@]2(C)C[C@@H]2Br)cc1Cl	857385968	ODNPHOYLVQRMSJ-XVKPBYJWSA-N	306.591	1.977	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2CCCN(C(N)=O)C2)C[C@H]1Br	857736883	QPRWYINPVZIAPF-YGOYTEALSA-N	318.215	1.067	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C=NNC(=O)c1ccnnc1	853359456	OKYYCLKXQJWXDK-SMDDNHRTSA-N	314.349	1.094	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2cnc3[nH]nnc3c2)o1	755196816	BPNOISQTFDIJQE-UHFFFAOYSA-N	312.293	1.093	50	20	DDGD	
C=C(CBr)CN1CCN(c2n[nH]c(C)n2)CC1	931630420	LIPUGWABXFSDOW-UHFFFAOYSA-N	300.204	1.186	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1	755720496	OCOFTVNNXBABTP-ZDUSSCGKSA-N	307.350	1.807	50	20	DDGD	
CCC1(C(=O)NNC(=O)CNc2ccc(C)cc2C)COC1	755681576	KSZMGJSFOAAINT-UHFFFAOYSA-N	305.378	1.289	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H]2CCn3c(cnc3C)C2)c1	862479540	RROWFSVFGITNPB-LLVKDONJSA-N	318.402	1.585	50	20	DDGD	
CC(C)[C@@H](CC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1	862456084	UWGGEYBVIDRURK-ZIAGYGMSSA-N	317.389	1.242	50	20	DDGD	
COc1ccc2c(c1)OC[C@H]2CC(=O)NNc1ncc(F)cn1	760923110	PSZMMWFLIUBUBP-SECBINFHSA-N	318.308	1.634	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC[C@H]1C	766992588	VZTQIHJVOSOEAY-CHWSQXEVSA-N	314.389	1.297	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc2c(c1)CCC(=O)N2C)C(F)(F)F	862314697	HIAOBOLFJVOHIM-MRVPVSSYSA-N	315.295	1.781	50	20	DDGD	
O=C(CCC(=O)c1ccc(Cl)cn1)NNc1cnccn1	769650049	HPGLVGZHTNIGSZ-UHFFFAOYSA-N	305.725	1.631	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCc1nc(C2CC2)no1	866549135	DRQNBGCVYXDPQQ-UHFFFAOYSA-N	307.803	1.631	50	20	DDGD	
Cc1cccc(CO[C@@H](C)C(=O)NNc2ncncc2F)c1	868541378	SBUIFODLTMNXOR-NSHDSACASA-N	304.325	1.973	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)Cc2ccc(F)cc2)CCC1=O	763270670	SXSLMZQWCXTMJG-CMPLNLGQSA-N	306.337	1.521	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1nc(C)cs1	863072855	NOFOLJFODXZKDO-SNVBAGLBSA-N	310.423	1.260	50	20	DDGD	
C[C@H](NNC(=O)CNC(=O)c1cccc(Cl)c1)C(F)(F)F	862304125	ILQIUBHZRFAJJQ-ZETCQYMHSA-N	323.702	1.641	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@@H]2C[C@@]23CCOC3)cc1	763727334	CETBHDAVEGBPSJ-XJKSGUPXSA-N	320.414	1.661	50	20	DDGD	
Cc1cc(Br)ncc1NC(=O)NNC(=O)C1CC1	764679324	SSGNXQFRIWBTFH-UHFFFAOYSA-N	313.155	1.715	50	20	DDGD	
Cc1noc(CCCC(=O)NNc2nc3ccccc3[nH]2)n1	768504073	HFMSKSPHOBVVAL-UHFFFAOYSA-N	300.322	1.720	50	20	DDGD	
Cc1coc2ccc(NC(=O)C(=O)NNC(=O)C(C)C)cc12	773493552	CRNYNFZISZOWBV-UHFFFAOYSA-N	303.318	1.483	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1ccc(O)cc1O	777903862	COPJXHPWSNFPNS-UHFFFAOYSA-N	323.349	1.463	50	20	DDGD	
COCc1cc(NCc2cccc(B(O)O)c2)ccc1OC	877702425	SJURPXWZDCCOFF-UHFFFAOYSA-N	301.151	1.134	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F	778649721	KRYQHVMAWWMDLE-UHFFFAOYSA-N	318.236	1.160	50	20	DDGD	
C=CCSc1ccccc1C(=O)NNC(=O)C(=O)NC1CC1	777092867	NZTAPRQIPYBLOS-UHFFFAOYSA-N	319.386	1.004	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cc(F)ccc2N(C)C)n1	872334626	HAPRZWSDTWSTCC-UHFFFAOYSA-N	317.368	1.855	50	20	DDGD	
CCCN1C(=O)C(=NNC(=O)c2cn[nH]c2)c2cc(C)ccc21	872392828	ZQRNMCNGOVSJDO-UHFFFAOYSA-N	311.345	1.609	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cnn(C)c1C1CC1	777773646	UBZWFYIRKMIXEH-UHFFFAOYSA-N	314.345	1.841	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1	876069587	UVHIJTVNLLRDGY-AWEZNQCLSA-N	320.393	1.482	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@](C)(O)C(C)C	770212898	VNMPZYXVYNQYMZ-MRXNPFEDSA-N	324.377	1.019	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C2(F)CCOCC2)c1	874951627	GKHLROXLSOCHME-UHFFFAOYSA-N	321.377	1.504	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](C)[C@H]1CCCN(C2CCC2)C1	875477167	IVDYXRURBLJIDM-NEPJUHHUSA-N	312.414	1.552	50	20	DDGD	
C[C@]1(CNC(=O)N[C@H]2C[C@@H](C(=O)O)C2)C[C@@H]1Br	874408025	MAQIIRAXVRVOTQ-MCHASIABSA-N	305.172	1.322	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2CC23CCC3)c(OC)c1	872881209	LXTWZKHZFVHFQB-ZDUSSCGKSA-N	319.361	1.590	50	20	DDGD	
CO[C@@H]1CN[C@](C)(C(=O)NC[C@@]2(C)C[C@H]2Br)C1	876986060	XEYOWENBPBUWJU-SPFNVWMYSA-N	305.216	1.043	50	20	DDGD	
CC(C)[C@@H]1CN(C(=O)NNC(=O)c2cccc(C#N)c2)CCO1	778652342	WNAVEOIYDGDOOJ-AWEZNQCLSA-N	316.361	1.269	50	20	DDGD	
COc1cc(NC(=O)NNc2ncccn2)cc(OC)c1OC	775423338	XVQIQSFICBCOSB-UHFFFAOYSA-N	319.321	1.651	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2c[nH]c(C#N)c2)c1	778968849	OEZRFVIVLZUDEE-UHFFFAOYSA-N	304.331	1.047	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](C)NC(=O)CC1CCCCC1	887143303	SZKKWAMJGFYYKR-ZDUSSCGKSA-N	321.421	1.412	50	20	DDGD	
C[C@@H]1COCCCN1C(=O)NNC(=O)c1cc2ccccc2o1	773032875	OYGPZAVHKPCNSI-LLVKDONJSA-N	317.345	1.898	50	20	DDGD	
C[C@]1(CNC(=O)NNc2ccc(C#N)cn2)C[C@H]1Br	889411078	MAMMIFJYCNZHOO-BXKDBHETSA-N	324.182	1.753	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)N[C@H]1CC[C@@H](C)C1	780788502	GBESMQXIQJLJNB-NEPJUHHUSA-N	321.377	1.593	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1c[nH]nc1-c1ccsc1	780627544	DYZXBQNVHZTARC-UHFFFAOYSA-N	316.346	1.245	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cccnc1Br	782588761	UVXKDRWPVGMCAK-UHFFFAOYSA-N	301.144	1.653	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](NS(=O)(=O)CBr)CCO1	782478280	AGBBBZZGVXWENO-IUCAKERBSA-N	300.218	1.462	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)no1	887668200	NKXZEDZVSRIORC-VIFPVBQESA-N	321.308	1.605	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccc(C(N)=O)s2)c1	780796894	NAAFHAAORJLHAM-UHFFFAOYSA-N	319.342	1.391	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCCc1ccccc1OC(F)F	788107720	VWRFFFPTTJAJRO-UHFFFAOYSA-N	315.320	1.817	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N(CC(N)=O)C1CCCC1	787023520	CCRKGXODLIAGCS-UKTHLTGXSA-N	313.357	1.556	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cnn(Cc2ccccn2)c1	785853667	AARUCSOBVDVBMR-UHFFFAOYSA-N	317.353	1.024	50	20	DDGD	
NCCCc1cn([C@@]2(Cl)C[C@H]2CCBr)nn1	881381537	BNWRRGFIMHDZJW-SCZZXKLOSA-N	307.623	1.866	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)N[C@H]2CC[C@H](C)C2)c1	780789240	MRODHGZVQXPWQX-JQWIXIFHSA-N	321.377	1.836	50	20	DDGD	
CCOC(CCNC(=O)NNC(=O)c1ccc(C)o1)OCC	786904508	RMLJUJFAANESBZ-UHFFFAOYSA-N	313.354	1.321	50	20	DDGD	
CC[C@H]1C[C@H](CC(=O)NNC(=S)NCC2CCC2)CCO1	781683793	FJJSAKWZGPKANR-OLZOCXBDSA-N	313.467	1.877	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2c(C)ccn2C)cc1C	784288593	CXZPHXOGBVYSPT-UHFFFAOYSA-N	315.373	1.790	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NC[C@H]1C[C@H](N)C1)c1ccccc1	892578146	RFDUKVSLAOATMG-AULYBMBSSA-N	304.394	1.032	50	20	DDGD	
N#C[C@]1(F)CCN(C(=O)NNC(=O)c2cc3ccccc3o2)C1	786133594	ZPJUMIZKVJDRHK-OAHLLOKOSA-N	316.292	1.725	50	20	DDGD	
CN(NC(=O)c1cccc(CNC(=O)OC(C)(C)C)c1)C(N)=O	787199325	PQLDWVIGLVORFV-UHFFFAOYSA-N	322.365	1.367	50	20	DDGD	
NC(=O)c1ccccc1C=NNC(=O)COCc1ccccc1	788717094	UHOVRQSPVNCXMP-UHFFFAOYSA-N	311.341	1.452	50	20	DDGD	
Cn1cc(-c2n[nH]cc2C(=O)NN=c2cc[nH]cc2Cl)cn1	781028354	AXBQTULUKJZYNO-UHFFFAOYSA-N	317.740	1.037	50	20	DDGD	
COC1(CC(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)CCC1	790120574	RWEDQIXYBODMLC-LLVKDONJSA-N	324.352	1.700	50	20	DDGD	
CC[C@H](C)n1ncc(NC(=O)C(=O)NNC(=O)CC2CC2)c1C	792268897	PCQSNSCMNJFPDO-VIFPVBQESA-N	321.381	1.049	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1c(C)nn(CCCl)c1C	798307033	HQPDYDAJWCLOEI-UHFFFAOYSA-N	315.830	1.034	50	20	DDGD	
Cn1cncc1CCC(=O)NNC(=O)c1cc2c(s1)CCC2	792811840	NDWZBOMGXVLLID-UHFFFAOYSA-N	318.402	1.364	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)C(=O)OC)c1ccc(Cl)s1	1319299155	IOUVXGNSXKVPHQ-ZCFIWIBFSA-N	319.770	1.356	50	20	DDGD	
CC[C@@H](Oc1ccccc1F)C(=O)NNC(=S)NC(C)C	1319067462	ZNRCDYYPATYZOP-LLVKDONJSA-N	313.398	1.887	50	20	DDGD	
COc1ccc2onc(CC(=O)NNC(=S)NC(C)C)c2c1	1326105587	RZDQVPMSISEIFK-UHFFFAOYSA-N	322.390	1.283	50	20	DDGD	
O=C(NNc1cccnc1Cl)C1CCS(=O)(=O)CC1	1326025108	KYCSECVUAIBADS-UHFFFAOYSA-N	303.771	1.003	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NC/C=C\C2CC2)cc1	1324643134	CURRZQAHNGMIOV-IHWYPQMZSA-N	317.389	1.924	50	20	DDGD	
Cc1nnc(NNC(=O)c2c[nH]nc2-c2ccsc2)nc1O	1320834871	VZMGEFZKXRAOEX-UHFFFAOYSA-N	317.334	1.094	50	20	DDGD	
CCN(CCNC(=O)NNC(=O)c1ccccc1Cl)C1CC1	1321413058	AQENFKRJIBYLSM-UHFFFAOYSA-N	324.812	1.768	50	20	DDGD	
CN(C)[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccccc1O	1322740153	IBNROXZANDQKLD-CHWSQXEVSA-N	320.393	1.209	50	20	DDGD	
COC1(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CCCCC1	1324106605	BGJMTBFCMRHKSG-UHFFFAOYSA-N	320.393	1.399	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@]1(F)CCOC1	1326636016	LSWHWSLJOHFABW-ZDUSSCGKSA-N	300.717	1.159	50	20	DDGD	
COc1cc(CNC(=O)CCl)ccc1OCC(=O)N(C)C	1253963593	WZOAGTROZLFJBB-UHFFFAOYSA-N	314.769	1.017	50	20	DDGD	
CC[C@@H](C)n1ncc(NC(=O)C(=O)NNc2ncccn2)c1C	1326289133	VXJJSMPNABXLPZ-SECBINFHSA-N	317.353	1.034	50	20	DDGD	
CC(=O)N1CC[C@@H](NC(=O)NNc2cccc(F)c2Cl)C1	1331579710	KGTSIVKCTALRGZ-SECBINFHSA-N	314.748	1.726	50	20	DDGD	
C#CCN1CCC[C@H](NC(=O)NNC(=O)c2cc(C)cs2)C1	1333199543	JSCJFSBALNQSBT-LBPRGKRZSA-N	320.418	1.098	50	20	DDGD	
CCc1ncc(NC(=O)C(=O)NNc2ncccc2Cl)cn1	1337661351	JOCPUEHLYHVXMW-UHFFFAOYSA-N	320.740	1.169	50	20	DDGD	
C[C@@H](NNC(=O)Cc1csc(-c2nc[nH]n2)n1)C(F)(F)F	1330098946	MXMDPINBTPNKMZ-RXMQYKEDSA-N	320.300	1.042	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccnc1)c1ccc(F)c(F)c1	1339575671	QKGCAHMEZAEIRT-VIFPVBQESA-N	305.284	1.925	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)NCCC2CC2)C[C@@H]1Br	1261766464	IKJZTTORHXPVME-CABZTGNLSA-N	303.200	1.192	50	20	DDGD	
CCCN(C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br)C1CC1	1347967027	JOSRJBCYTSZZLH-ZWNOBZJWSA-N	317.227	1.677	50	20	DDGD	
CS(=O)(=O)CCN(C(=O)C1CCC(Cl)CC1)C1CC1	1351689472	JZCZZYZFTAXMBQ-UHFFFAOYSA-N	307.843	1.820	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2ccc(C(=O)O)cc2F)CCN1C	1604677852	YMHRIGYOHIMKAN-ONGXEEELSA-N	324.356	1.633	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)C1(C(=O)O)CC1	1605827152	NKZQHWXVCAMKJY-UHFFFAOYSA-N	321.402	1.740	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)[C@]12[C@H]3C(=O)[C@H]4[C@H]5C[C@@H]([C@@H]41)[C@@H]2[C@H]53	1608948421	ZCHRRCRKBQITRG-PJIOKJFOSA-N	324.336	1.155	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNc1ccc(C(=O)O)cc1F	1603047199	YCIDWYKUEHFNII-UHFFFAOYSA-N	311.313	1.129	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)c(F)c1)c1cc(C(F)F)[nH]n1	1601557620	YMGKPRDFKWSIKE-UHFFFAOYSA-N	314.223	1.942	50	20	DDGD	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNc1nnc(-c2ccccn2)s1	1605023206	KLXYSNLHNLREHW-UHLUBPPHSA-N	319.346	1.154	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)CCc1cnccn1	1610287579	JQTOWZCNZMLRGQ-UHFFFAOYSA-N	316.317	1.259	50	20	DDGD	
COC[C@H](NC(=O)NNc1ccc(C(=O)O)c(F)c1)C1CC1	1610249859	HKVJMDSERKSCJI-LBPRGKRZSA-N	311.313	1.575	50	20	DDGD	
C#CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](F)Cl)sc2C1	1817134331	MRBVPWHMQCLUTN-LHLIQPBNSA-N	315.757	1.223	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C12CCC(CC1)N2	1576287776	SYXBJLZMAWYDLD-LWOUBBNUSA-N	321.352	1.025	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)CC(F)(F)CN)cc1	1575272522	LCECPDHZADRGHW-UHFFFAOYSA-N	313.348	1.729	50	20	DDGD	
CC(C)OCCC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1589746680	ASSIIAMHGOIDDW-UHFFFAOYSA-N	323.357	1.236	50	20	DDGD	
C[C@@H](C(=O)NNc1ncccc1C(=O)O)N1CCCCCC1	1588557542	USKKRVSGQLYFIZ-NSHDSACASA-N	306.366	1.487	50	20	DDGD	
O=C(COC1CNC1)NN(Cc1ccccc1)c1ccccc1	1580560348	IRDHZQIHFLAVBP-UHFFFAOYSA-N	311.385	1.713	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1589776551	PQFKXCRTSSEWHW-UHFFFAOYSA-N	324.348	1.537	50	20	DDGD	
CN1CCC(CC(=O)NNc2cccc(F)c2C(=O)O)CC1	1598579182	IFKKGKNVSMYXTA-UHFFFAOYSA-N	309.341	1.699	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNC(=O)c2ccc(C#N)cc2)c1	1594288539	VOBBTUOUKOWAQF-UHFFFAOYSA-N	323.308	1.640	50	20	DDGD	
CO[C@]1(C(=O)O)CCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C1	1599069302	TVWFIICWHWJJEG-MRHLJLSQSA-N	317.301	1.635	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C/c1ccc(-c2nn[nH]n2)c(C)c1	1590649361	SFZGOYMPGABARD-XYOKQWHBSA-N	317.374	1.864	50	20	DDGD	
CSCCC=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	1591701061	ZIEUGHQDQKOXTO-UHFFFAOYSA-N	320.378	1.101	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@@H](C)C(=O)O)c1	1594350324	ZFKZLKSKIHPBDC-LLVKDONJSA-N	322.361	1.365	50	20	DDGD	
N#Cc1ccc(NCC(=O)NNc2ncccc2C(=O)O)cc1	1594623185	ZMXMEDFTCTZCTO-UHFFFAOYSA-N	311.301	1.207	50	20	DDGD	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)CCCc1ccccc1	1594228182	NUBKYJJFMKRNLA-BZNIZROVSA-N	304.346	1.268	50	20	DDGD	
COc1cccc(NNC(=O)c2coc(/C=C\C(=O)O)c2)n1	1594131575	DAUFYSGZSZRDHB-WAYWQWQTSA-N	303.274	1.538	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2csc(C(=O)O)c2)cs1	1776028987	CXVSDXARRJKUML-UHFFFAOYSA-N	309.372	1.904	50	20	DDGD	
Cc1nsc(C=NNC(=O)c2ccc(O)c(O)c2)c1C(=O)O	1776058586	UCNKOMJIZGGIDO-UHFFFAOYSA-N	321.314	1.325	50	20	DDGD	
CC(=O)NC[C@H]1CCCN(S(=O)(=O)CCCCCl)C1	153740773	DGLUAAFYRWMMSW-GFCCVEGCSA-N	310.847	1.183	50	20	DDGD	
COc1cc(CCNC(=O)NNC(=O)C(C)(C)C)ccc1C	154905209	BCDMUNFWLJWKJY-UHFFFAOYSA-N	307.394	1.923	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cn(Cc2ccccc2)nn1	68373046	GHHGPNIAGJMWDF-UHFFFAOYSA-N	317.349	1.496	50	20	DDGD	
CCC(=O)OCC(=O)NNC(=O)c1cc(Cl)ccc1OC	6010975	NEBLZZNNRIXHBT-UHFFFAOYSA-N	314.725	1.063	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	8391086	UNBICLCRNFTFPJ-SECBINFHSA-N	323.418	1.159	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)CNC(=O)CCC1CCCC1	103197008	PFQBLCPRFVBFKC-UHFFFAOYSA-N	311.426	1.657	50	20	DDGD	
C[C@H](Oc1cccc(/C=C(/C#N)C(=O)NC2CC2)c1)C(=O)O	58464529	HDWMNMYBLZIXCR-BZPKPHBRSA-N	300.314	1.724	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CSc2ccncc2)cc1	61474751	LSSISKUXDLFBHX-UHFFFAOYSA-N	312.354	1.507	50	20	DDGD	
Cc1nn(C(C)(C)C)c(C)c1C(=O)NNC(=O)NCC1CC1	65191890	DZDVSLYUBATJSG-UHFFFAOYSA-N	307.398	1.609	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cn(Cc2ccccc2)nn1	103198619	RVNVNWLMAOPHCQ-UHFFFAOYSA-N	315.377	1.524	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc2ccccc2c(=O)[nH]1	64425576	DKXIDFXIJQHXFS-UHFFFAOYSA-N	302.334	1.272	50	20	DDGD	
COCC(=O)NNC(=O)[C@@H](C)Oc1c(C)cc(Cl)cc1C	68193747	CDVUNGGFYTVASQ-SNVBAGLBSA-N	314.769	1.518	50	20	DDGD	
COC(=O)N[C@@H](CC(C)C)C(=O)NNc1ncccc1Cl	114882553	KVSXXYRMHJDQRY-JTQLQIEISA-N	314.773	1.949	50	20	DDGD	
N#CCOc1ccc(CNC(=O)NNC(=O)c2ccccc2)cc1	69261295	PYJCFSVOHYVLDB-UHFFFAOYSA-N	324.340	1.733	50	20	DDGD	
COCCCOc1cccc(C(=O)NNc2cnccn2)c1	173601120	USZCRDNDFBYVJE-UHFFFAOYSA-N	302.334	1.649	50	20	DDGD	
COc1cccc(CO[C@H](C)C(=O)NNC(=O)NC2CC2)c1	68266661	MDEBWQHKTYCBNI-SNVBAGLBSA-N	307.350	1.093	50	20	DDGD	
Cc1c(Br)c(C(=O)NCCCSC#N)nn1C	1346961518	JUVGLOSCNGNMLZ-UHFFFAOYSA-N	317.212	1.825	50	20	DDGD	
CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)NNc1ncccn1	118588788	HEUOHAKMQKPHBU-NWDGAFQWSA-N	307.398	1.944	50	20	DDGD	
C[C@H](Oc1ccccc1)C(=O)NNC(=O)NCc1ccco1	65177815	WOFVMRGKQULIEG-NSHDSACASA-N	303.318	1.578	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C(=O)NNc2ncccn2)c1C	123937364	JYAXJMOKUIAJAQ-UHFFFAOYSA-N	303.322	1.355	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1ccc(CCCCl)cc1	72071274	VKCOUFLLOUHGEB-UHFFFAOYSA-N	306.771	1.407	50	20	DDGD	
CN1CCO[C@H](C(=O)NNc2ccc(OC(F)F)cc2)C1	122053692	VNYYITIESSQHDB-NSHDSACASA-N	301.293	1.062	50	20	DDGD	
C[C@@H]1CCCN(CCNC(=O)NNc2cncc(Cl)n2)C1	127089780	HFFKUGFOBHZEQG-SNVBAGLBSA-N	312.805	1.488	50	20	DDGD	
CC(C)(C(=O)NNC(=O)Cc1cc[nH]n1)c1cccc(F)c1	186111365	MBPYVQPROXNNCB-UHFFFAOYSA-N	304.325	1.217	50	20	DDGD	
O=C(NNc1ccccn1)c1nn(-c2ccccc2F)cc1O	181218622	YJKVAUVUKYMISY-UHFFFAOYSA-N	313.292	1.869	50	20	DDGD	
CCNC(=O)CN(CC)C(=O)/C(C#N)=C\c1ccc(F)cc1	182306091	WBMZFRXSJVGSHC-LCYFTJDESA-N	303.337	1.717	50	20	DDGD	
C[C@H](NC(=O)NNc1cccnn1)c1nc(C(C)(C)C)no1	74897804	VBALCCOTPQBQPG-QMMMGPOBSA-N	305.342	1.544	50	20	DDGD	
CC(C)OCCCCNC(=O)NNc1ccc(Cl)nn1	181935227	FBSJPXUUPCFTGV-UHFFFAOYSA-N	301.778	1.961	50	20	DDGD	
CNC(=O)c1ccc(C)c(NC(=O)NNC(=O)c2ccc[nH]2)c1	183587701	GGKGAXYNAPXURB-UHFFFAOYSA-N	315.333	1.149	50	20	DDGD	
CN(NC(=O)C1(c2ccc(Br)cc2)CC1)C(N)=O	181086955	GTBBCRARHBGFMG-UHFFFAOYSA-N	312.167	1.522	50	20	DDGD	
O=C(NCCc1ccc([N+](=O)[O-])cc1)NNc1cccnn1	77349267	GPVKGSYWZLSRJV-UHFFFAOYSA-N	302.294	1.254	50	20	DDGD	
O=C(NNc1ccncc1)c1nn(-c2ccccc2F)cc1O	180538295	RFTJIJAHQYRTLE-UHFFFAOYSA-N	313.292	1.869	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NCc1ccoc1	47089035	BTBGXOKQLXGXLZ-UHFFFAOYSA-N	313.317	1.380	50	20	DDGD	
Cc1cc(Br)ccc1C(=O)NNC(=O)N(C)C	194915557	OGMZJYOSVRYFBG-UHFFFAOYSA-N	300.156	1.674	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)O)c2c(C(C)C)noc2n1	192917005	FQSDAJFDIOGRRT-UHFFFAOYSA-N	320.349	1.187	50	20	DDGD	
Cc1ccn(-c2ccc(C(=O)NNC(=O)NCC3CC3)cc2)n1	139310838	WNCOSOGGIBNHMV-UHFFFAOYSA-N	313.361	1.535	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNc1nc2ccccc2c(=O)[nH]1	137132104	TUGANXWNILUYIZ-UHFFFAOYSA-N	312.304	1.748	50	20	DDGD	
Cc1noc([C@@H]2CCCN(CCI)C2)n1	190830607	GZYMQVZCLWJSEA-SECBINFHSA-N	321.162	1.992	50	20	DDGD	
CC(C)(C)CC(=O)NCC(=O)NNc1cc(C#N)cc(Cl)n1	93546634	JKHGSHIIHCBAQB-UHFFFAOYSA-N	323.784	1.602	50	20	DDGD	
C=CCN(C[C@H](C)CBr)[C@H]1CCS(=O)(=O)C1	248750075	SOTYNQGFKDOBIM-MNOVXSKESA-N	310.257	1.693	50	20	DDGD	
COc1ccccc1NCC(=O)NN=Cc1ccc(O)cc1O	254516459	FXSSCZAFBCIIBS-UHFFFAOYSA-N	315.329	1.669	50	20	DDGD	
CCN(C)Cc1cccc(CNC(=O)NNC(=O)C2CCC2)c1	264722701	FIZWVGQTFSCSFF-UHFFFAOYSA-N	318.421	1.769	50	20	DDGD	
COC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)c1ccc(C)o1	267820303	HRCCJVXKJJNOST-JTQLQIEISA-N	311.338	1.120	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1cccc(OCC(=O)OC)c1	265203491	CQQZZEHVRGYGSU-JLHYYAGUSA-N	318.329	1.299	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1cc(Cl)nc(C)n1	267105892	PVGHDMCPKMEJCS-UHFFFAOYSA-N	301.734	1.018	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)N[C@H]1CC(=O)N(C2CC2)C1	267471330	CMUYBAGEGAGJPE-VIFPVBQESA-N	309.757	1.124	50	20	DDGD	
Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)C3CCC3)cn2)n1	264821266	XLBYNRDBVNLRLH-UHFFFAOYSA-N	313.361	1.445	50	20	DDGD	
CCC1(C(=O)NNC(=O)COc2ccc(C)cc2)CCOCC1	272204622	NATXOZFNBGBOHD-UHFFFAOYSA-N	320.389	1.728	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccccc1O[C@H]1CCOC1	273479630	UDJZYLCZSDPUHE-LBPRGKRZSA-N	319.361	1.807	50	20	DDGD	
COc1cccc(NNC(=O)CNC(=O)NC2CCCCC2)n1	272955898	JAYSZRXJVKOGLS-UHFFFAOYSA-N	321.381	1.165	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	279737003	WPNKSOQNPZZIGP-VHSXEESVSA-N	319.317	1.361	50	20	DDGD	
CCONC(=O)NNC(=O)COc1cc(C)ccc1C(C)C	275170501	WTFKRLYPRZKAHV-UHFFFAOYSA-N	309.366	1.779	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)C(=O)C(C)(C)C	270659756	OMSMPXRSEQLWRY-UHFFFAOYSA-N	324.402	1.550	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C2SCCS2)cc1	270621254	RUROYJFDMOETEZ-UHFFFAOYSA-N	311.432	1.360	50	20	DDGD	
CC[C@@H](C)[C@H](C)C(=O)NNC(=O)CNC(=O)c1cccs1	272576450	XKYAYQNKKUAMGE-ZJUUUORDSA-N	311.407	1.308	50	20	DDGD	
CCCN(CC(F)F)C(=O)NNC(=O)c1cccc(C)n1	279664315	MGHQBQJFKFMPFC-UHFFFAOYSA-N	300.309	1.722	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C[C@](C)(O)C2CC2)c(C)c1	270473542	SGFUVQFGNASUPH-KRWDZBQOSA-N	319.405	1.414	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNc3cc(C)nc(C)n3)(CC1)C2	373879221	BMPQZOFGHOAXAX-UHFFFAOYSA-N	318.377	1.660	50	20	DDGD	
CC[C@H]1CC[C@H](C)N1CC(=O)NNC(=O)Cc1nc(C)cs1	271462284	FGPAZIJPCHBSGI-RYUDHWBXSA-N	324.450	1.404	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cccc(N(C)C)c1	276502679	CKIOBXULPVKTQU-UHFFFAOYSA-N	323.393	1.303	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	284896515	GWEYRLODSLHYHN-JTQLQIEISA-N	319.336	1.945	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O	286140607	CAZQNMKYOGLTGC-RQJHMYQMSA-N	320.246	1.121	50	20	DDGD	
O=S(=O)(CBr)N[C@H]1CCO[C@@H]1c1cccnc1	285104042	QEUNPOQYBMOJPF-VHSXEESVSA-N	321.196	1.183	50	20	DDGD	
Cc1oc(C(C)C)nc1C(=O)NNC(=O)NCC(F)(F)F	286413787	FRJZHHBHUZCJQG-UHFFFAOYSA-N	308.260	1.613	50	20	DDGD	
CC[C@H]1CCC[C@@H]1NC(=O)NNc1ccc(-n2ccnc2)nn1	287172189	SRHWRAYJSBOBHU-RYUDHWBXSA-N	315.381	1.867	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccc(C#N)cc1)C(F)(F)F	288646621	QPVZUWLWSVIKGU-ZETCQYMHSA-N	300.240	1.453	50	20	DDGD	
CSSCCNC(=O)CCn1c(C)cc(O)cc1=O	285753022	QLQXRXDJTHXXJG-UHFFFAOYSA-N	302.421	1.380	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)C(C)(C)N1CCOCC1	801182898	UJKGPWRZZNPJBT-UHFFFAOYSA-N	321.377	1.027	50	20	DDGD	
CCOC(CCNC(=O)NNc1ncncc1F)OCC	293032433	NQVOIYKGWVSIJI-UHFFFAOYSA-N	301.322	1.031	50	20	DDGD	
O=C(NCCc1nc2c(s1)CCCC2)NNc1ccncn1	296530911	POIYZHBBBZWYCV-UHFFFAOYSA-N	318.406	1.681	50	20	DDGD	
O=C(COCc1ccccn1)NNc1cnc2ccccc2n1	807426424	PDDLKTOLNBBLSM-UHFFFAOYSA-N	309.329	1.685	50	20	DDGD	
C#C[C@H](NC(=O)NNc1cccc(S(C)(=O)=O)c1)C(C)C	298116976	XSIUAMPZPSNPQK-ZDUSSCGKSA-N	309.391	1.374	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccncn1)N1CCc2ccccc21	296691697	YHJUMALXOVGPTQ-LBPRGKRZSA-N	312.377	1.554	50	20	DDGD	
CCCNC(=O)NN=C1C(=O)N(CCN(C)C)c2ccccc21	807965853	MDKMYVXIVPZKRB-UHFFFAOYSA-N	317.393	1.008	50	20	DDGD	
CC(=O)N(C)CC(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	296170311	RNXSPKPPZHOLQJ-UHFFFAOYSA-N	300.702	1.170	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H]1CC(=O)N(C2CC2)C1	805379368	XJTFRFSZUTWERK-JTQLQIEISA-N	318.333	1.357	50	20	DDGD	
CCNC(=O)N(C)NC(=O)N[C@H](c1ccccc1)C(F)F	296941829	YSFPMCLFASXDHG-SNVBAGLBSA-N	300.309	1.868	50	20	DDGD	
O=C(NCCCc1ccccc1)C(=O)NNc1ncccc1F	804218763	FKIPTENFZJNEDX-UHFFFAOYSA-N	316.336	1.413	50	20	DDGD	
COc1ccc(O)c(C(=O)NNC(=O)Nc2ccccc2)c1	801990055	TZJMNBWXLMUMPI-UHFFFAOYSA-N	301.302	1.867	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1Cc2ccc(F)cc21	807371764	TUHCBWIZUYQJGR-CYBMUJFWSA-N	324.352	1.402	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc(C2OCCO2)c1	808851078	POIHXRVMEIAZLS-JTQLQIEISA-N	307.350	1.931	50	20	DDGD	
COc1cccc([C@@H](C)NC(=O)NNC(=O)[C@@H]2CCCO2)c1	292013502	SDEPNWPBWMFGRE-MFKMUULPSA-N	307.350	1.266	50	20	DDGD	
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NNc1ncc(F)cc1F	297756182	CFYGIMKVLHRLSZ-PELKAZGASA-N	311.336	1.469	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2ccc(C)cc2O)ccn1	806665041	GCJREDIOBYTJQX-UHFFFAOYSA-N	316.317	1.571	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1c[nH]c(C(=O)O)c1	814764167	SVFKTVMTQUSWLP-NSHDSACASA-N	306.366	1.285	50	20	DDGD	
C[C@H]1CCCC[C@@H]1C(=O)NNc1ccc(-n2ccnc2)nn1	819531233	VDAGQZYMJUGJDA-RYUDHWBXSA-N	300.366	1.932	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)O)CCC1=NNC(=O)c1ccnc(N(C)C)c1	814844233	FBFRZAXPTNMDFA-ZYHUDNBSSA-N	318.377	1.754	50	20	DDGD	
CN(NC(=O)C[C@H]1CN(Cc2ccccc2)CCO1)C1CC1	819647122	JYPLMHZSYJNLAV-INIZCTEOSA-N	303.406	1.403	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CCc1cncnc1	816663334	RNEDKXCNAQVIBI-UHFFFAOYSA-N	301.306	1.769	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NN=C2CCN(CCO)CC2)c1	819805919	HCSSCUZXIFBEGK-UHFFFAOYSA-N	319.405	1.243	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1cc(O)ccc1Cl	814627170	UXVBGBHBPZTMQV-UHFFFAOYSA-N	309.709	1.783	50	20	DDGD	
CC(=NNC(=O)C(F)F)c1cccc(O[C@@H](C)C(=O)O)c1	814902706	YRXBNSPKCOQVMK-QMMMGPOBSA-N	300.261	1.644	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CC[C@H](Cc2ccccc2)C1	814900685	DEOHXADGKQWAFV-CYBMUJFWSA-N	303.362	1.857	50	20	DDGD	
CNc1nccc(C(=O)NNC(=O)c2ccccc2)c1[N+](=O)[O-]	816817002	PJQHCADIIJWKOO-UHFFFAOYSA-N	315.289	1.106	50	20	DDGD	
COC(=O)CCCONC(=O)[C@@H](Br)C(C)(C)C	819932552	OJOQULLNJOYPAH-SECBINFHSA-N	310.188	1.797	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCc1ccc2c(c1)OCO2	728594758	YWPMINFRBAQQST-UHFFFAOYSA-N	321.377	1.724	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@H](c1ccccc1)N1CCCCC1=O	823960115	WCTAJEIAMZFLEL-BBRMVZONSA-N	319.405	1.084	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)c(C(C)C)n1	823151666	BGELZGBUVSEPNT-UHFFFAOYSA-N	301.350	1.240	50	20	DDGD	
CC(C)(CN1CCOCC1)C(=O)NNc1cccc([N+](=O)[O-])c1	821147295	CZAOABSGFJYZOZ-UHFFFAOYSA-N	322.365	1.396	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C	491113420	HBCMBKDIITVEPX-JTQLQIEISA-N	316.402	1.276	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(NC(=O)OCC)cc1	494970805	KCLIBCCNZIJEAW-UHFFFAOYSA-N	308.338	1.561	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)NNC(=O)C2CC2)C1	495525269	DLIPQIUERNQUDP-BZNIZROVSA-N	323.393	1.191	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)[C@@]12CCC[C@@H]1C2	496102856	MANZWLPKFDIWDQ-MEBBXXQBSA-N	311.382	1.239	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=O)c2cccc3ncccc23)CC1	823161247	CJCRYJIXBRTHEM-UHFFFAOYSA-N	311.341	1.755	50	20	DDGD	
Cc1cccn2cc(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)cc12	823473225	AZIHREMXVSTASC-WCQYABFASA-N	301.346	1.434	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)Cn1ccnc1C(C)C	821720414	NHUNNHLBICPKBK-UHFFFAOYSA-N	316.361	1.936	50	20	DDGD	
CC(Cc1ccc(O)cc1)=NNC(=O)CNC(=O)OC(C)(C)C	495793476	JIRGSDNCBGCVPN-UHFFFAOYSA-N	321.377	1.952	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1ccc2c(c1)OCCCO2	727480960	KOCHXCNWLGJTGZ-UHFFFAOYSA-N	321.377	1.724	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C2=COCC2)cc1	727766634	ZQQIPBWOYQDOGV-NSHDSACASA-N	320.345	1.304	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1ccc2c(c1)OCCCO2	727480832	DCJQEPFXGJXSQH-UHFFFAOYSA-N	307.350	1.334	50	20	DDGD	
Cn1ncc(C2CC2)c1CNC(=O)NNC(=O)CC(F)(F)F	822400813	UWYQNBWVMPECJE-UHFFFAOYSA-N	319.287	1.080	50	20	DDGD	
CN1CCC[C@H](CN(C)C(=O)/C(C#N)=C/c2cnn(C)c2)C1	491006124	CZIBRJGJCQEYNY-FEZXJWFHSA-N	301.394	1.127	50	20	DDGD	
COC(=O)NNC(=S)NCc1cccc(C(F)(F)F)c1	490912806	DUCJGSKEOUNHJV-UHFFFAOYSA-N	307.297	1.941	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cccnc1Cl	826447313	ZMXTYEFKNOMCAV-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
CCC[C@H](C)N1C[C@@H](C(=O)NNC(=O)OC(C)(C)C)CC1=O	490786853	JEHVAVNQUAKAMJ-QWRGUYRKSA-N	313.398	1.579	50	20	DDGD	
CC(C)(C)OC(=O)C1(C(=O)NNC(=O)C2CCC2)CC=CC1	827216239	ODMRWHZBSPPMMR-UHFFFAOYSA-N	308.378	1.612	50	20	DDGD	
Cc1ccc(Br)c(C(=O)NNC(=O)CC2CC2)n1	820757903	NIHXEGHEDAXCBM-UHFFFAOYSA-N	312.167	1.714	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NNC(=O)c1ccccc1	496405522	ZHTGMYRHFFVDTF-NWDGAFQWSA-N	319.361	1.361	50	20	DDGD	
Cc1cc(C)n(CCCC(=O)NNC(=S)NCC2CCC2)n1	824437410	RQHOJGPYEUEURH-UHFFFAOYSA-N	323.466	1.576	50	20	DDGD	
CCN(CCO)NC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O	823838242	NDVWXBGNUWFPEK-MRXNPFEDSA-N	317.389	1.296	50	20	DDGD	
CC(C)C[C@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1	584958174	MDNWDTZUXSWLMY-GFCCVEGCSA-N	307.174	1.404	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)CCCO1	820619049	WLWQNILWRWYLMB-AWEZNQCLSA-N	317.353	1.062	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)Cc1cccc(C#N)c1	827315655	SZDJUDFRSNEVCR-RISCZKNCSA-N	316.361	1.156	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNC(=S)NC(C)(C)C)C(C)C	900001213	JENMBRRQXMQRNO-VIFPVBQESA-N	303.428	1.116	50	20	DDGD	
COc1cc(F)c(S(=O)(=O)NNC(=O)C(C)(C)C)cc1F	901853843	CXVYQFZOBMDEBK-UHFFFAOYSA-N	322.333	1.329	50	20	DDGD	
COC(=O)N(C)NC(=O)c1c(C(F)(F)F)nc2ccccn12	496825334	AOXNORWKOLCUKS-UHFFFAOYSA-N	316.239	1.696	50	20	DDGD	
Cc1ccc(-c2ocnc2C(=O)N2CC[C@H](B(O)O)C2)cc1	585069228	JQYBHVMDQNGGMW-LBPRGKRZSA-N	300.123	1.339	50	20	DDGD	
Cc1ccc(C2=NO[C@H](C(=O)NNC(=O)NCC3CC3)C2)cc1	900386216	NFIOSGVWRRIRKO-AWEZNQCLSA-N	316.361	1.228	50	20	DDGD	
Cc1cccc2c1OC[C@@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C2	491105122	PLBQCPMCKDAQGF-KBHCHJSJSA-N	322.368	1.755	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)C[C@@H]1Br	907207905	RWNASZIKHGFDJC-URBCHYCLSA-N	318.211	1.614	50	20	DDGD	
CCCCS(=O)(=O)CC(=O)OC[C@@H](C)CBr	909946976	DQXCBLFRNMZXLC-VIFPVBQESA-N	315.229	1.776	50	20	DDGD	
CC(C)COC[C@@H](NCc1cccc(B(O)O)c1)c1ccco1	585020585	BSJYVCHZSMYILM-MRXNPFEDSA-N	317.194	1.463	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CNC(=O)OC(C)(C)C	494436668	ZPAJLVSKFCDYNE-UHFFFAOYSA-N	323.349	1.441	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CSC[C@H]1C(=O)N(C)C(C)C	490756485	ZLRMRITZQSVPLW-VNKGSWCUSA-N	311.407	1.199	50	20	DDGD	
Cc1nc2ccccc2nc1C=NNC(=O)N1CCN(C)CC1	834972765	JIPBPMUKXBDIKX-UHFFFAOYSA-N	312.377	1.229	50	20	DDGD	
C=CC[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)c1ccncc1	735583257	TWNCVWTXPAQNTJ-CYBMUJFWSA-N	314.349	1.077	50	20	DDGD	
CC(C)c1ccccc1OCCNCc1ccccc1B(O)O	585028379	KLGXWUBFVYYNEW-UHFFFAOYSA-N	313.206	1.658	50	20	DDGD	
COC(=O)c1occc1C=NNC(=O)Cc1ccccc1F	731316620	FHMGWMLWJNKXQM-UHFFFAOYSA-N	304.277	1.898	50	20	DDGD	
CC[C@H]1OCCC[C@@H]1c1nc(-c2ccc(B(O)O)cc2)no1	585055058	PQFYKAWGBGMLDO-QWHCGFSZSA-N	302.139	1.089	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNc1oc(C(C)C)nc1C#N	839603229	AVLQMVKAWVJLIQ-VIFPVBQESA-N	308.338	1.702	50	20	DDGD	
CCOC(=O)c1nc(NC(=O)[C@]2(C)C[C@H]2Br)c[nH]1	907714852	LHIJCUBFMBFGET-KSBSHMNSSA-N	316.155	1.698	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@]2(C)C[C@H]2Br)CC[S@@](=O)C1	907748315	BHZRGOIVJOZCFW-GZWQJFPBSA-N	308.241	1.387	50	20	DDGD	
CCOc1ccc(CNCc2ccccc2B(O)O)cc1Cl	585040966	BPWRYPAYZYFJLE-UHFFFAOYSA-N	319.597	1.708	50	20	DDGD	
C[C@H]1C[C@H](NCc2cccc(B(O)O)c2)CN1Cc1ccccc1	585028190	GFOQKUNAQDLBOW-KXBFYZLASA-N	324.233	1.119	50	20	DDGD	
C[C@@H]1c2ccsc2CCN1C(=O)c1ccc(B(O)O)cc1	584926078	YSNRYUDHIYRYDJ-SNVBAGLBSA-N	301.176	1.187	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)Cn1cnc2ccccc21	739678766	HUWFZMCFGHBMPN-UHFFFAOYSA-N	313.317	1.048	50	20	DDGD	
C[C@@H](O)CC(C)(C)CNC(=O)NNc1ncc(F)cc1F	838494850	JGKHNLIWEMBMDL-MRVPVSSYSA-N	302.325	1.783	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cccc(NC(N)=O)c2)n1	837301418	YICIXYVCUUMGGY-UHFFFAOYSA-N	300.322	1.341	50	20	DDGD	
N#Cc1cccc(C=NNC(=O)Cc2cc(O)nc(S)n2)c1	839410273	RSROUOJQUNKBAV-UHFFFAOYSA-N	313.342	1.035	50	20	DDGD	
C=CC[C@H](NC(=O)NNC(=O)[C@@H]1CCCCO1)c1ccncc1	838478130	TULYIIFUKBJCOB-KBPBESRZSA-N	318.377	1.598	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCCOc3c(F)cccc32)o1	585034221	NOFLIFWIWFSWRH-CYBMUJFWSA-N	305.114	1.102	50	20	DDGD	
O=C(NNc1ccc(F)cn1)NC1CCN(C(=O)C2CC2)CC1	731359647	XRTWIZJMHRKQMJ-UHFFFAOYSA-N	321.356	1.248	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	910148299	SEYDVUVBASRZLL-ZCFIWIBFSA-N	322.148	1.859	50	20	DDGD	
O=C(NNc1cnccn1)[C@@H]1CCCC[C@@H]1N1CCCC1=O	832395872	WMPKBBUOUZUPPQ-NEPJUHHUSA-N	303.366	1.101	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1ccc2c(c1)c1ccccc1n2C	918144417	DFXDGKZQJJEKBD-UHFFFAOYSA-N	317.370	1.661	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	910161395	YVZDJEAGIGXKRD-FYLLDIAZSA-N	305.216	1.284	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCc1cn2ccccc2n1	918060619	QRUGDLIMVVMXAF-UHFFFAOYSA-N	315.255	1.117	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CCSCC(=O)O)c1	833728572	GAMNOUHXKKNTCD-UHFFFAOYSA-N	302.327	1.485	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)c2ccc(C)cc2O)o1	917549162	RLPINGISGRTDTP-UHFFFAOYSA-N	302.286	1.844	50	20	DDGD	
C[C@@H]1C[C@H]1c1ccc(CCC(=O)NNC(=O)N2CCOCC2)o1	745991894	JCVPLAHZPIMTIC-DGCLKSJQSA-N	321.377	1.409	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(-n2cncn2)c(C)c1	742053344	JWDVAEOUTNVBJH-UHFFFAOYSA-N	316.365	1.320	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=C2COc3cc(O)ccc32)cc1	915944100	NMKZUGKQEGLMHR-UHFFFAOYSA-N	323.308	1.556	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1noc2ccccc12	847476278	SODJTVJYJYOGPP-UWVGGRQHSA-N	318.333	1.083	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(-n3ccnc3)nn2)cc1	746883468	QRUCJLYVRUVFNK-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
COc1ccc(C=NNC(N)=O)cc1OCc1cccnc1	915047277	GJZBUEZBILVDKA-UHFFFAOYSA-N	300.318	1.671	50	20	DDGD	
Cc1cc(C)cc(-n2nc(C(=O)NN(C)C[C@H](C)O)cc2C)c1	910151213	ACQRUZQYJACYSP-AWEZNQCLSA-N	316.405	1.755	50	20	DDGD	
Cn1c(NNC(=O)[C@H]2Cc3ccccc32)nc2ccccc2c1=O	742076086	KDXWPNGIFKXJOL-AWEZNQCLSA-N	320.352	1.717	50	20	DDGD	
Cn1cc(-c2cccc(C(=O)NNC(=O)c3ccccn3)c2)cn1	741661313	WWXFMOIAXNWTLK-UHFFFAOYSA-N	321.340	1.557	50	20	DDGD	
C[C@@H](C(=O)NNc1ncccc1[N+](=O)[O-])C(=O)OC(C)(C)C	840865153	AIGAAPNGPUBLMB-QMMMGPOBSA-N	310.310	1.411	50	20	DDGD	
C[C@H](CN)CNC(=O)NNc1ccc(C#N)cc1C(F)(F)F	841963188	PKOYMOACNDKGKZ-MRVPVSSYSA-N	315.299	1.798	50	20	DDGD	
O=C(NNc1c(F)cccc1F)N[C@@H]1CC[C@@H]2CNC[C@H]2C1	842015331	MVNQTYCBKHGXLB-GMTAPVOTSA-N	310.348	1.979	50	20	DDGD	
CCCC[C@@H](CN)NC(=O)NNC(=O)c1ccc(CC)cc1	841957993	CVUDRCBDWQTFTH-AWEZNQCLSA-N	306.410	1.711	50	20	DDGD	
C=C[C@H](C)ONC(=O)NNC(=O)c1cc(OC)cc(OC)c1	845638514	HWLQEFBXEABGGV-VIFPVBQESA-N	309.322	1.154	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1c(C)cccc1Cl	840912106	GYLRVVDXDILXPY-UHFFFAOYSA-N	319.814	1.941	50	20	DDGD	
CC(=NNC(=O)Cn1nnc(-c2ccccc2)n1)c1ccc(C)o1	915907411	LJCFSJGORLCLNZ-UHFFFAOYSA-N	324.344	1.782	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2ccc(C#N)cc2)C[C@@H](C)S1	743567814	AWPCPLPEVMNABD-PHIMTYICSA-N	318.402	1.738	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1ccc(Cl)c(F)c1	844648306	ULHLJOYEQYWZTE-UHFFFAOYSA-N	308.762	1.835	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)C(C)(C)Oc1ccc(F)cc1	843649812	XQQDDXKXOBAARD-ZWNOBZJWSA-N	324.352	1.556	50	20	DDGD	
CN(CC(=O)NNC(=O)C(C)(C)C)[C@@H]1CCc2ccccc21	744385812	POPSTJITYHMUDR-CQSZACIVSA-N	303.406	1.799	50	20	DDGD	
CC(C)(CO)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	847600123	CQAZSGIRCUPHFJ-UHFFFAOYSA-N	322.333	1.145	50	20	DDGD	
COCC[C@@H](C)CNC(=O)NNC(=O)c1ccc(Cl)cc1	840402447	JDPPMJHDRYFFSA-SNVBAGLBSA-N	313.785	1.957	50	20	DDGD	
CC(C)C[C@H](CN)NC(=O)NNC(=O)CCCc1ccccc1	841954074	NMQWSRARMMATOP-OAHLLOKOSA-N	320.437	1.713	50	20	DDGD	
O=C(NC[C@@H]1CCCN1)NNc1ccccc1OC(F)(F)F	841936904	MRZBDOBKUWAFKR-VIFPVBQESA-N	318.299	1.963	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2CCc3ccccc3C2)n1	844507018	NJXMBFJZOIMYSC-HNNXBMFYSA-N	309.369	1.956	50	20	DDGD	
CSc1cccc(NC(=O)NN(C)C(=O)N2CCNCC2)c1	841002448	RUPHHHIYYSDIEA-UHFFFAOYSA-N	323.422	1.402	50	20	DDGD	
C[C@@H](CCC(C)(C)C)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	754032660	ZUBAWHFDGWEOEK-STQMWFEESA-N	318.483	1.941	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NC[C@@]1(C)C[C@H]1Br	857690350	RUEVPZICRJVKFX-NQBHXWOUSA-N	317.227	1.677	50	20	DDGD	
COc1cccc([C@@H](O)C(=O)NNC(=S)NCC2CCC2)c1	855090571	IDDJSJAOYCGKOR-CYBMUJFWSA-N	323.418	1.024	50	20	DDGD	
CCCCCCCCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1	858694531	QMGSUYNNZLITRN-GFCCVEGCSA-N	312.414	1.346	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)N[C@@H](C)C(=O)NNC(=O)CC(C)C	754157876	ZRBJROGKALWXSF-KOLCDFICSA-N	310.398	1.524	50	20	DDGD	
O=C(C[C@@H]1CCCS(=O)(=O)C1)NNc1ccc(Cl)cn1	856092461	WGCJOKRECNPEPY-VIFPVBQESA-N	317.798	1.393	50	20	DDGD	
CC(C)(F)CCNC(=O)NNC(=O)COCc1ccccc1	852131928	BFVWVRXQGMPZTB-UHFFFAOYSA-N	311.357	1.672	50	20	DDGD	
C=CCCSCCNC(=O)NNC(=O)c1ccc(C#N)cc1	852029542	LXKNMVFMWOFMHM-UHFFFAOYSA-N	318.402	1.812	50	20	DDGD	
C[C@@H]1COCCN1CCNC(=O)NNc1ccc(Cl)cn1	852193005	XQZYJKPUIQTVGQ-SNVBAGLBSA-N	313.789	1.082	50	20	DDGD	
C[C@H]1CN(C2CC2)CC1=NNC(=O)c1cccc(N(C)C)c1	755881513	UWDBOCOCDFAMBP-LBPRGKRZSA-N	300.406	1.953	50	20	DDGD	
CC1(CNC(=O)NNC(=O)COc2ccc(C#N)cc2)CC1	753026364	VOEQIGZYHYWTIA-UHFFFAOYSA-N	302.334	1.068	50	20	DDGD	
C[C@]1(CNC(=O)c2ccc3nc[nH]c3n2)C[C@@H]1Br	857396201	ZGPRYNDFNCTSFP-JOYOIKCWSA-N	309.167	1.861	50	20	DDGD	
COc1cccc([C@H](OC)C(=O)NNC(=O)CC(F)(F)F)c1	854997955	VERVQENNNGLKRQ-NSHDSACASA-N	320.267	1.483	50	20	DDGD	
COC[C@@](C)(CC(=O)OC)NC[C@H](CBr)C1CC1	859197390	FQHBIHUFXKPEOC-WCQYABFASA-N	322.243	1.965	50	20	DDGD	
COC(=O)[C@H]1C[C@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)C1	856368823	OVSZZCLZUYOWJZ-GHPCPDQYSA-N	302.305	1.800	50	20	DDGD	
CCOc1ccc(OC(C)(C)C(=O)NNc2cnnn2C)cc1	857271868	BNURKBHKEAKAGZ-UHFFFAOYSA-N	319.365	1.515	50	20	DDGD	
Cn1cc2c(n1)CCC[C@H]2C(=O)NNC(=O)OCC(F)(F)F	856020769	SWMXLFARPHJOIM-SSDOTTSWSA-N	320.271	1.160	50	20	DDGD	
CN(C)CCOc1cccc(NC(=O)NNC(=O)CC2CC2)c1	755928073	YFUMDYAVPVAERN-UHFFFAOYSA-N	320.393	1.580	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)C2(N(C)C)CC2)cc1	854188869	LHHSQACKMRJGHG-UHFFFAOYSA-N	322.434	1.497	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@]1(C)CCOc2ccccc21	930733488	ULERRWVWEFHPJH-MRXNPFEDSA-N	321.377	1.094	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNC(=O)c2cccc(C#N)c2)ccn1	759783197	IBBHGTRKKXHYLZ-UHFFFAOYSA-N	324.340	1.815	50	20	DDGD	
COC(=O)N(C)CCNC(=O)NC[C@]1(C)C[C@@H]1Br	856869153	WDYLOOPKYRYDKW-KWQFWETISA-N	322.203	1.157	50	20	DDGD	
CCCN1CC[C@@H](NC(=O)NNC(=O)c2ccccc2C)C1	851917513	GKFZXVVMDGGOQK-CYBMUJFWSA-N	304.394	1.423	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN[C@@H](c1ccccn1)C1CC1	932383823	NSPIRSSBGYLEOM-CQSZACIVSA-N	304.394	1.316	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Nc2ccsc2)c1O	757655464	FKIBAXAIWOHTLV-UHFFFAOYSA-N	307.331	1.929	50	20	DDGD	
O=C1c2ccccc2CCN1NS(=O)(=O)CCCCCl	867707441	LTHMQYUSWKZSOK-UHFFFAOYSA-N	316.810	1.538	50	20	DDGD	
CN(CC(=O)NNc1cnnc2ccccc12)[C@@H]1CCSC1	764261092	KHKOBHVIEFPTHT-LLVKDONJSA-N	317.418	1.510	50	20	DDGD	
COC(=O)c1[nH]c(C)c(C(=O)NNC(=O)C2CCCC2)c1C	769118600	XRLPBCFCFLQDKD-UHFFFAOYSA-N	307.350	1.369	50	20	DDGD	
Cn1cc(C=NNC(=O)[C@@H]2CCC(=O)N2)c2cc(F)ccc21	863153447	USJHWDWMOISNBD-LBPRGKRZSA-N	302.309	1.046	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)Cc1cccs1	766671008	YGKNFJCNCZHFDG-UHFFFAOYSA-N	310.400	1.837	50	20	DDGD	
O=C(NC[C@H]1CCCS1(=O)=O)NNc1c(F)cccc1F	767172873	GLRXIOHAGWXNRN-MRVPVSSYSA-N	319.333	1.168	50	20	DDGD	
CC(=O)N[C@H](CC(=O)NN[C@H](C)C(F)(F)F)c1cccs1	862306609	MUJGZYHAPQJGAA-VXNVDRBHSA-N	323.340	1.887	50	20	DDGD	
C[C@H](NNC(=O)C[C@H]1OC(=O)c2ccccc21)C(F)(F)F	862304991	VOEXKBNXISKWJC-OIBJUYFYSA-N	302.252	1.860	50	20	DDGD	
CNC(=O)c1ccc(OC)c(NC(=O)NNC(=O)C(C)(C)C)c1	769957137	ASOOATRWLKCXRZ-UHFFFAOYSA-N	322.365	1.254	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(-n2ccc(O)n2)cc1	932057340	KFWIDHHXADVPBG-UHFFFAOYSA-N	305.338	1.193	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1cnn(CC(F)(F)F)c1	763109012	QWSAUBPODBSAJE-POHAHGRESA-N	302.256	1.506	50	20	DDGD	
Cc1cccc(NNC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)n1	862525537	RAMFKJOVCZWUDB-TXEJJXNPSA-N	316.361	1.008	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)CCc1ccccc1O)C1CC1	863866069	HPIPDESYUDFHEQ-HNNXBMFYSA-N	306.362	1.287	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@@H]1CCC[C@H]2OCC[C@@H]12	760904189	YNCIINQUXQZLJU-IACUBPJLSA-N	321.352	1.727	50	20	DDGD	
COC1(C=NNC(=O)c2ccc3c(c2)OCCO3)CCOCC1	761781321	JVCORARMQBLOEC-UHFFFAOYSA-N	320.345	1.369	50	20	DDGD	
O=C(NNc1cccc2c1CCCC2)[C@H]1CN2CCCN1CC2	765010150	VPGKLIVDPHMDQO-QGZVFWFLSA-N	314.433	1.398	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(CSC)c1	764081554	JQRFUPYIMFLTRX-SNVBAGLBSA-N	323.418	1.682	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCO2)NNCC(F)(F)C(F)(F)F	863091206	DCLMWIDLHBIHBZ-UHFFFAOYSA-N	324.249	1.982	50	20	DDGD	
C=CC(=O)NCc1ccc(C(=O)NNc2ncc(F)cn2)cc1	762079547	CFAYYYOMOIJVJM-UHFFFAOYSA-N	315.308	1.175	50	20	DDGD	
CCO[C@@H](CC(=O)NNC(=O)Cc1ccccc1F)C(C)C	760520227	GLVMWJMCJHFUMR-AWEZNQCLSA-N	310.369	1.967	50	20	DDGD	
Cc1cc(=NNC(=O)C2CCN(CC(F)(F)F)CC2)cc[nH]1	862510806	UCXVIZYOWQUKGR-UHFFFAOYSA-N	316.327	1.529	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccc(-n2ccnc2)nn1	768500946	YEEVSQAQXHPGFG-UHFFFAOYSA-N	320.316	1.296	50	20	DDGD	
C[C@@H](NNC(=O)c1cc(-c2ccncc2)on1)C(F)(F)F	862308628	CFFBFLNCFFKVBQ-SSDOTTSWSA-N	300.240	1.922	50	20	DDGD	
CCNC(=O)N(C)N=Cc1c[nH]nc1-c1ccc2c(c1)OCO2	769593378	MGISGCRUBWMWSZ-UHFFFAOYSA-N	315.333	1.801	50	20	DDGD	
CC(C)(C)[C@@H](O)C(=O)NNC(=O)c1cncn1-c1ccccc1	1116416505	PTQWQXZKCLTDNT-ZDUSSCGKSA-N	316.361	1.040	50	20	DDGD	
COCCOCC(=O)NN=Cc1cc2ccccc2cc1OC	872399935	LHBONMXQBJECHV-UHFFFAOYSA-N	316.357	1.962	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1ccn(-c2ncccc2F)n1	760082181	ICMGJTDJLLCLNF-KTKRTIGZSA-N	301.281	1.789	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H](C)OCC1CC1	873768186	XQTNSDHUEBIKQO-SNVBAGLBSA-N	323.418	1.828	50	20	DDGD	
COCCC[C@H](C)C(=O)NNC(=O)Cn1cnc2ccccc21	777958900	SZLCQYQZLHCIAH-LBPRGKRZSA-N	318.377	1.246	50	20	DDGD	
CCC[C@@H](CC)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	873821326	IVSYXRBVSSDEIG-GFCCVEGCSA-N	305.378	1.907	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1c(O)cccc1O	770408052	HPQZYIDYUFYHLM-UHFFFAOYSA-N	322.342	1.258	50	20	DDGD	
O=C(NNc1cccc(Cl)c1)c1cnn2c(=O)cc[nH]c12	773752032	RSIHCYXDTVXSFG-UHFFFAOYSA-N	303.709	1.433	50	20	DDGD	
C[C@@]1(C(=O)NNc2ccccc2C(F)(F)F)CCNC1=O	873924493	BQAJMQVBFVVBEU-GFCCVEGCSA-N	301.268	1.675	50	20	DDGD	
Cn1ccc(NNC(=O)c2ccc(OC3CCCC3)nc2)n1	1117984859	CHRKSYUJHUZVMS-UHFFFAOYSA-N	301.350	1.893	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2ncccc2Cl)n1	773487166	BCBAXKULZMAJRT-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
O=C(CNC(=O)c1cccc(O)c1)NNc1c(F)cccc1F	779009782	AQYKVGWIRAGFTO-UHFFFAOYSA-N	321.283	1.544	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)CCN1CCOCC1	777481626	DXZXCFDOVSHGNV-UHFFFAOYSA-N	314.389	1.709	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)n1	875421181	LVYBYPNDGJRQRS-MRVWCRGKSA-N	302.378	1.974	50	20	DDGD	
Cc1cc(=NNC(=O)NCc2cnc3n2CCCC3)cc[nH]1	875573841	WINYJKNSRRJNDC-UHFFFAOYSA-N	300.366	1.171	50	20	DDGD	
CC(=NNC(=O)CCc1ccccc1)C1CCS(=O)(=O)CC1	777433351	BBHVSUKNHDSIRL-UHFFFAOYSA-N	322.430	1.936	50	20	DDGD	
COC(=O)Cn1cccc1C=NNC(=O)CCc1ccccc1	776179757	DYZZRYWEIKUQAN-UHFFFAOYSA-N	313.357	1.744	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cn2cc(C3CC3)cn2)cc1O	882051318	KEHYAZIQPFOAEI-UHFFFAOYSA-N	314.345	1.236	50	20	DDGD	
COCc1cccc(CC(=O)NNC(=O)c2cccc(C#N)c2)c1	777644616	JTJBUWYRWPUZGV-UHFFFAOYSA-N	323.352	1.708	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cnc([C@H](C)OCC)s1	887144632	URIBCVWFINNBDI-JTQLQIEISA-N	309.391	1.805	50	20	DDGD	
CC[C@@H](C(=O)NNc1nnc(C)c(O)n1)c1ccc(OC)cc1	776222744	STILFBWOMCMHOZ-GFCCVEGCSA-N	317.349	1.531	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H](C)CN1CCOCC1	772889280	LPWFAKFTLQNPHI-LBPRGKRZSA-N	307.398	1.011	50	20	DDGD	
COC(=O)[C@@]12CCCC[C@@H]1CN(S(=O)(=O)CCCCl)C2	882332719	DYUSUQBIDJJQRX-DGCLKSJQSA-N	323.842	1.610	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)N2CCCCCC2)cc1O	882048791	GJTULRYAOVUNBM-CYBMUJFWSA-N	319.405	1.726	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCC[C@H]1[C@@H](O)C(F)(F)F	780790862	APNOBMGGBUSSGU-DTWKUNHWSA-N	323.764	1.723	50	20	DDGD	
C[C@@H](NC(=O)C1CCCC1)C(=O)NNc1ncncc1Cl	781818695	GNIUDORMYMWGRM-MRVPVSSYSA-N	311.773	1.268	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC(CC(N)=O)CC1	781076722	XCBVOPMWRNJCEH-NSHDSACASA-N	319.243	1.910	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCC(C)(N3CCCC3)CC2)CC1	884453100	GLUVPIKWQWZUQL-UHFFFAOYSA-N	321.469	1.728	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC[C@H]1C1OCCO1	888439442	OSMXVKBPBBVEKO-VOMSXAGXSA-N	314.341	1.663	50	20	DDGD	
O=C1Nc2c(cccc2C(F)(F)F)C1=NNC(=O)C(F)F	782237056	IJCYBXASHIFAON-UHFFFAOYSA-N	307.178	1.743	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2ncncc2Cl)C1	781837283	YAKPWQSZUIGJDQ-RKDXNWHRSA-N	312.757	1.553	50	20	DDGD	
CSc1cccc(NC(=O)C(=O)NNc2ccc(C)nn2)c1	783950599	OWIGEBWIQNMPHP-UHFFFAOYSA-N	317.374	1.589	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1cc2nn[nH]c2cc1F	781932972	BOOGMCPCEWMYJI-UHFFFAOYSA-N	307.676	1.297	50	20	DDGD	
C[C@H]1CC(C(=O)NNc2nc(O)c3cnn(C)c3n2)C[C@H](C)C1	780512070	YCMFYZUQCCYMFX-RKDXNWHRSA-N	318.381	1.584	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(=O)n(C)n1	891648394	VEGHUYFCPAKGCT-UHFFFAOYSA-N	309.757	1.085	50	20	DDGD	
C[C@@H]1CN(C[C@@H](CBr)C2CC2)C[C@@H](C)S1(=O)=O	701860754	HSRKNJOXSZVCLJ-CKYFFXLPSA-N	324.284	1.915	50	20	DDGD	
Cc1cccc(C(=O)NNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)n1	795012432	NIUSFQPHTVEXFK-GMXVVIOVSA-N	304.419	1.688	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=S)NCc1cccs1	795002396	LQJLGYQLVORQIN-UHFFFAOYSA-N	307.404	1.266	50	20	DDGD	
Cn1cccc(NC(=O)NNc2cccc(F)c2[N+](=O)[O-])c1=O	790510787	ZDIAXMSHIRXKMQ-UHFFFAOYSA-N	321.268	1.581	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C(C)(C)C(F)F)c1O	792633400	UPZNURQKUNGYFJ-UHFFFAOYSA-N	302.277	1.453	50	20	DDGD	
CC1=C(C(=O)NNc2cccc(F)c2[N+](=O)[O-])C(=O)OC1(C)C	791070124	YQNCACMHLYCAEB-UHFFFAOYSA-N	323.280	1.829	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cn(C)nc1-c1cccs1	798305711	BQXQOBBHYCPTBT-UHFFFAOYSA-N	321.431	1.444	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)C1CC1	791452673	OMXUPHVRMVZAHK-HSVOFOGUSA-N	306.406	1.775	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1c(Cl)cccc1[N+](=O)[O-]	798307462	WEDFMXBOKKXTIV-UHFFFAOYSA-N	314.754	1.543	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(Cl)c(OC)c2)nn1	790175487	JKVWBQVYBFATTD-UHFFFAOYSA-N	308.725	1.904	50	20	DDGD	
C=C(CBr)COC(=O)[C@@H](C)N1C(=O)CCC1=O	795445180	LCAONIBYBFIGJA-MRVPVSSYSA-N	304.140	1.018	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)o1	1319007473	DHNYQUMQMBGSLH-QMMMGPOBSA-N	304.350	1.568	50	20	DDGD	
CC(C)OCCCNC(=O)NNc1nncc(N)c1Cl	1319394014	OZYURTXAXZTHRJ-UHFFFAOYSA-N	302.766	1.153	50	20	DDGD	
CC(C)(C)c1nc(CN2CCCN(C(=O)CCl)CC2)no1	1320465249	FRHIWPKMXHWJGW-UHFFFAOYSA-N	314.817	1.640	50	20	DDGD	
Cc1ccc2c(c1)S[C@H](C(=O)NNC(=O)Cc1cc[nH]n1)C2	1320394292	GLKJVPLLZIWMBR-ZDUSSCGKSA-N	316.386	1.125	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1	1324471062	FVXYVXYFLNHQNQ-GRYCIOLGSA-N	311.426	1.511	50	20	DDGD	
CO[C@@H]1CCN(C(=O)NNC(=O)c2cc(C)cs2)[C@H](C)C1	1329192293	FHYRJDYCOYRBTG-GHMZBOCLSA-N	311.407	1.910	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1snnc1C1CC1	1332530180	ZULIZDRLJJJVFA-UHFFFAOYSA-N	320.403	1.442	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)[C@H]2CCc3nnc(O)n3C2)c1	1337196470	GQJBMFUNRXHGBM-NSHDSACASA-N	301.350	1.306	50	20	DDGD	
COC(=O)/C=C\c1ccc(C=NNC(=O)C2CCOCC2)o1	1336992497	HAODRVQIQULKIR-XPOPEFDLSA-N	306.318	1.343	50	20	DDGD	
CC[C@H](C)N(CC)C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1261770229	PZLFSNQZHVACQP-KWBADKCTSA-N	319.243	1.923	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H]1F)Nc1ccc(Br)cc1	1348612969	YQSGZLRUGIWRNG-IUCAKERBSA-N	316.130	1.960	50	20	DDGD	
C#CCN(C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br)C(C)C	1354829975	BNWFGVSYCUNBFQ-GWCFXTLKSA-N	315.211	1.146	50	20	DDGD	
CCCCS(=O)(=O)CC(=O)NNc1cccc(C(=O)O)c1	1605287363	HSLDVIKWRZJYEW-UHFFFAOYSA-N	314.363	1.043	50	20	DDGD	
O=C(O)[C@H]1CCC[C@@H](C(=O)NNC(=S)Nc2ccccn2)C1	1601803059	IIBGWATXSNVZJU-ZJUUUORDSA-N	322.390	1.290	50	20	DDGD	
C[C@H](C(=O)O)c1ccc(NC(=O)NNC(=O)C2CCC2)cc1	1609644423	UTMWYVNBHFGVIF-VIFPVBQESA-N	305.334	1.828	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1nnc(CCCC(=O)O)s1	1605618280	IELYGEVLTNGVKX-BQYQJAHWSA-N	310.335	1.328	50	20	DDGD	
O=C(O)[C@@H]1CCN(S(=O)(=O)CCCCCl)[C@@H]2CCC[C@@H]12	1608634743	GAOJKXNZIARXSS-QJPTWQEYSA-N	323.842	1.910	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)[nH]1	1602324183	FDNRUQLUCFEBSW-UHFFFAOYSA-N	308.225	1.517	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)[C@@H](C)O1	1609155915	WVJJEZITEMFWNC-RKDXNWHRSA-N	300.322	1.150	50	20	DDGD	
Cc1cc(C(=O)O)oc1C(=O)NNc1cnnc2ccccc12	1600133536	JOXUAMPOKGZSRT-UHFFFAOYSA-N	312.285	1.986	50	20	DDGD	
CCCCCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1604180140	LPUCHYFFTVIMMB-UHFFFAOYSA-N	317.353	1.001	50	20	DDGD	
COc1cc(C(=O)NNc2ccc(C(=O)O)c(F)c2)ncn1	1607079698	JYALCJIYGHDWHC-UHFFFAOYSA-N	306.253	1.079	50	20	DDGD	
O=Cc1cncc(C(=O)NNc2ccc(F)c(C(=O)O)c2)c1	1602669376	MNLODCZLPPGJON-UHFFFAOYSA-N	303.249	1.488	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=C1CCC[C@@H](C(=O)O)C1	1610665945	PASMFWYSZSJNBJ-SECBINFHSA-N	323.374	1.225	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1cc(C(=O)O)co1	1610696080	ZLAQRJPDCLVMOB-UHFFFAOYSA-N	323.330	1.226	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@H]1C[C@@]12CCOC2	1610288216	YPAIIVAPGVEKNO-MEBBXXQBSA-N	306.318	1.263	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NNc1ccc(C(=O)O)c(F)c1	1589072546	IDHDDSNJQQZWTL-CYBMUJFWSA-N	323.324	1.368	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H](F)C(C)C)o1	1589774050	RVAVWMKQOGQXIX-ZETCQYMHSA-N	311.321	1.415	50	20	DDGD	
Cc1ocnc1C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1844554395	HOVZULKTGVOROR-JTQLQIEISA-N	315.732	1.334	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2cccc(CCC(=O)O)c2)cn1	1594538440	QKZMSFFJTRXIGL-AUWJEWJLSA-N	324.340	1.983	50	20	DDGD	
COc1ccccc1C(=O)NN=Cc1cccn1CC(=O)O	1599696916	MRBYOFPTIDRCBE-UHFFFAOYSA-N	301.302	1.345	50	20	DDGD	
CC(C)OC(=O)CCNC(=O)NNc1ccc(CC(=O)O)cc1	1591675615	DLYOSSQSRQEHDT-UHFFFAOYSA-N	323.349	1.282	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(F)c(C(=O)O)c1Cl	1590883783	ATTRSGUKKMYBNJ-UHFFFAOYSA-N	319.676	1.960	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(C(=O)O)c(F)c1)[C@@H]1CCCNC1	1593102840	XWWYIAADMRGYSP-NXEZZACHSA-N	324.356	1.538	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc(C(=O)O)cc1[N+](=O)[O-]	1776825503	NLRXTCYZIFNPRL-WDZFZDKYSA-N	324.314	1.982	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2ccc(/C=C/C(=O)O)o2)cs1	1776028843	RZSUTMNPHSXVPJ-WUXXWONPSA-N	319.342	1.835	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1	17248135	ZFVATPOSRLYKRV-UHFFFAOYSA-N	317.732	1.514	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(OCC(N)=O)cc1	161087014	IDUXACDEFSBUIL-UHFFFAOYSA-N	317.320	1.755	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccnc(OCC(F)(F)F)c1	161910451	PKHVJSLPGCAGRV-UHFFFAOYSA-N	320.271	1.377	50	20	DDGD	
CC(C)(C)C(=O)NCCC(=O)NNc1cnc2ccccc2n1	163565479	XCGBEZPHNBLTKP-UHFFFAOYSA-N	315.377	1.625	50	20	DDGD	
O=C(COCCc1ccccc1)NNc1ncccc1[N+](=O)[O-]	153117033	FMCUHMGDFKXRBK-UHFFFAOYSA-N	316.317	1.692	50	20	DDGD	
O=C(Cc1ccsc1)NNc1nccc(N2CCOCC2)n1	155574892	HQHBSFOSKWEZTA-UHFFFAOYSA-N	319.390	1.061	50	20	DDGD	
COc1ccc(NNC(=O)NCCc2c(C)noc2C)nc1	157216834	XFIWMLKTXJXQRC-UHFFFAOYSA-N	305.338	1.564	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccc(C)cc2O)ccc1F	155989489	UDKBOAHQMHUXCW-UHFFFAOYSA-N	318.304	1.923	50	20	DDGD	
COc1ccc(NNC(=O)CCCOc2cccnc2)nc1	159478841	LJDIVIIZJYLQIZ-UHFFFAOYSA-N	302.334	1.788	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1cccc(CN2CCOCC2)c1	159156227	DXEKAGIAROSVDL-SQFISAMPSA-N	315.373	1.901	50	20	DDGD	
C[C@H]1CO[C@@H](CO)CN1S(=O)(=O)c1ccc(CCl)cc1	380024305	UVXAASDGVQIYAZ-CMPLNLGQSA-N	319.810	1.196	50	20	DDGD	
C#CCN1CCN(S(=O)(=O)c2ccc(CCl)cc2)CC1	380154347	YADPNOABWSPZBM-UHFFFAOYSA-N	312.822	1.365	50	20	DDGD	
CCCNC(=S)NNC(=O)c1cc(Br)c[nH]1	7378087	ZLNOJETWWYJABJ-UHFFFAOYSA-N	305.201	1.296	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)c2ccc(O)cc2)c1	8167894	RGISSNDMXQKMJA-UHFFFAOYSA-N	301.302	1.867	50	20	DDGD	
O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)c1cc[nH]n1	103523361	JCZMJBNSFZQHAA-UHFFFAOYSA-N	316.289	1.163	50	20	DDGD	
CCCOc1cccc(C(=O)NNC(=O)c2c[nH]nc2C)c1	109860352	HQXAQQFHGLYACQ-UHFFFAOYSA-N	302.334	1.582	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1cc(C2CC2)[nH]n1	66839934	ZLIXNNVYAHLAQY-UHFFFAOYSA-N	302.309	1.430	50	20	DDGD	
O=C(CCNC(=O)OCC(F)(F)F)NNc1ccccc1	111550533	KYTLSOKNXARTBX-UHFFFAOYSA-N	305.256	1.808	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2)on1)c1cnccn1	27257558	CNSIUJLROMABDH-UHFFFAOYSA-N	309.285	1.206	50	20	DDGD	
O=C(CCOc1ccccc1)N/N=C1\C(=O)Nc2ccccc21	60811438	FMECTICCBADIKJ-UHFFFAOYSA-N	309.325	1.928	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1	118976285	JKJAKHHWWVEOBZ-SNVBAGLBSA-N	317.324	1.353	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cc2c(s1)CCOC2	175806837	BLAZPUOTHVWZNX-UHFFFAOYSA-N	317.370	1.220	50	20	DDGD	
O=C(NNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)NC1CC1	64429219	FXXCCQWYMRNSHV-UHFFFAOYSA-N	320.330	1.916	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCC1CCOCC1)c1ccccc1	171905629	UDGJRWRGUHTFKJ-HNNXBMFYSA-N	319.405	1.937	50	20	DDGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)[C@H]1CCOC1	66894484	YWQSLXQWOAQEBV-VIFPVBQESA-N	314.794	1.616	50	20	DDGD	
C#CCCCCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	179629436	KLLACSPCTAMFBG-AWEZNQCLSA-N	302.330	1.167	50	20	DDGD	
O=C(NNc1ccccc1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O	171861417	BHMSVZDVABYVMM-ZJUUUORDSA-N	301.268	1.587	50	20	DDGD	
O=C(NNc1cnccn1)[C@H]1COc2ccc(Cl)cc2C1	114879376	QHXHVZRVOMVXPJ-SNVBAGLBSA-N	304.737	1.824	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@H]1CCN(c2ccc(C)cc2)C1=O	172809486	VFDWVQISNGGQPJ-FQNOHDAGSA-N	313.357	1.661	50	20	DDGD	
CCNC(=O)NNC(=O)c1cccc(OCc2cccnc2)c1	65189560	MRTAXCHGYYIMRH-UHFFFAOYSA-N	314.345	1.625	50	20	DDGD	
CSC[C@H](C)C(=O)NNC(=O)c1cc(Cl)ccc1O	66927322	ACEWOLFJLOFUEM-ZETCQYMHSA-N	302.783	1.806	50	20	DDGD	
CCn1c(NNC(=O)[C@@H](C)CSC)nc2ccccc2c1=O	66821008	LWQCNMUMBUVAOC-JTQLQIEISA-N	320.418	1.859	50	20	DDGD	
CCCCCCOc1ccc(C(=O)NNC(=O)CN(C)C)cc1	171364747	NRJDATBBDKWAJA-UHFFFAOYSA-N	321.421	1.968	50	20	DDGD	
O=C(NNc1ncncc1Cl)C1(O)Cc2ccccc2C1	1343198384	DIGPMFISOUNARZ-UHFFFAOYSA-N	304.737	1.103	50	20	DDGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nnn[nH]2)c1C	172325266	UEYRCTFQAHFYCV-MDWZMJQESA-N	313.365	1.964	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C)N(C)C	124493923	GGMDUJDEYRXJBO-KBPBESRZSA-N	321.421	1.558	50	20	DDGD	
CCCc1ccccc1NC(=O)C(=O)NNC(=O)C(C)(C)C	184497622	LYRBUHAMPUZOMW-UHFFFAOYSA-N	305.378	1.771	50	20	DDGD	
Cc1ccc(-n2cc(C(=O)NNC(=O)OC(C)(C)C)nn2)cc1	121109035	CHGXNBCTSVBFLX-UHFFFAOYSA-N	317.349	1.745	50	20	DDGD	
CCC(CC)[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc[nH]2)CCO1	183747388	UGFIDGSPSRYIQB-OCCSQVGLSA-N	322.409	1.943	50	20	DDGD	
O=C1NC(=O)[C@]2(CCCN(C(=O)c3cccc(CCl)c3)C2)N1	316722895	FSNDISYUEPQOMW-OAHLLOKOSA-N	321.764	1.240	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1ccc(F)cc1F	73302111	AMBAVMYNBVTBJT-UHFFFAOYSA-N	305.284	1.838	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@H]1CCCN(C)C1	73477617	MPBRYKIMTMJEBU-CYBMUJFWSA-N	312.845	1.810	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)NC(=O)CC(C)(C)C)nc(C)n1	188285134	DFCBTOFGOJAGHX-SNVBAGLBSA-N	307.398	1.477	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1sccc1C	70695234	OUGVAOBAHQCIFV-UHFFFAOYSA-N	320.370	1.905	50	20	DDGD	
C=C[C@](C)(CC)C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12	134905542	NAJRTEZKWZNMGQ-MRXNPFEDSA-N	314.345	1.286	50	20	DDGD	
CCS[C@H](C(=O)NNc1cc(Cl)nc(N)n1)C(C)C	134111781	DVEWDAIODPMOIT-VIFPVBQESA-N	303.819	1.933	50	20	DDGD	
CCCCCC(C)(C)CNC(=O)NNC(=O)C(=O)NC1CC1	88616726	PASGUFDLVUACDX-UHFFFAOYSA-N	312.414	1.202	50	20	DDGD	
CN(C)C(=O)NNC(=O)COc1ccc(C(F)(F)F)cc1	194915926	PXIGGBRNDBHTHN-UHFFFAOYSA-N	305.256	1.387	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)c1ccc[nH]1	195138679	MBCWWZOXCWAKGR-UHFFFAOYSA-N	311.345	1.388	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCCCn1cccn1	45714071	AJOZBLRIPVCBBU-UHFFFAOYSA-N	316.365	1.618	50	20	DDGD	
Cn1c(=O)oc2ccc(NS(=O)(=O)CCCCCl)cc21	190763279	SFDRLKHNOAPMLU-UHFFFAOYSA-N	318.782	1.892	50	20	DDGD	
CN(C)C(=O)NNC(=O)CCc1ccccc1Br	194915523	PPJIVTNYFDEDSC-UHFFFAOYSA-N	314.183	1.684	50	20	DDGD	
CN(CCOCC1CC1)C(=O)NNC(=O)c1cccc(C#N)c1	87086012	NSBBLVZINNCPGQ-UHFFFAOYSA-N	316.361	1.271	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)N(C)CC(F)(F)F)o1	193478695	WGOIQGSJVVLVDO-QMMMGPOBSA-N	307.272	1.232	50	20	DDGD	
C[C@@H](CBr)CN(C1CC1)[C@H](C)CS(C)(=O)=O	248686606	HMDHXNIYCBJCTJ-VHSXEESVSA-N	312.273	1.915	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	247537754	PUDZKPFGXGPFFE-FQOPFDEGSA-N	315.373	1.684	50	20	DDGD	
C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NNc1cccnn1	266973982	ATKPTVQSCINMAM-JTQLQIEISA-N	309.370	1.423	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C(C)(C)c1ccccc1)[C@@H]1CCOC1	266784783	RUTPHNYOPQCSAE-CHWSQXEVSA-N	319.405	1.720	50	20	DDGD	
CC[C@@H](OC)C(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	269034804	NKRPDVHMOIWGDR-SNVBAGLBSA-N	308.363	1.324	50	20	DDGD	
CSCCNC(=S)NNC(=O)COc1ccccc1F	269829983	LFZPXEXNWZREOU-UHFFFAOYSA-N	317.411	1.063	50	20	DDGD	
COCCOCC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	264994580	KLUNOZQOALLUFV-UHFFFAOYSA-N	303.702	1.354	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)[C@H]1CC1(Cl)Cl	264796396	UJCMDFCNNJOFJK-SSDOTTSWSA-N	314.132	1.769	50	20	DDGD	
CCCC(=O)N1CCCC[C@H]1C(=O)NNc1nccc(OC)n1	264486926	XQIDZXNEBNURIQ-NSHDSACASA-N	321.381	1.110	50	20	DDGD	
CC(C)NC(=O)Nc1ccc(C(=O)NNC(=O)C2CCC2)cc1	264677165	IEFFXMWAYAGSMP-UHFFFAOYSA-N	318.377	1.778	50	20	DDGD	
O=C(NC[C@@H]1CSCCS1)NNc1ccc(Cl)nn1	268079968	GDBKDXNXBFCLSE-SSDOTTSWSA-N	319.843	1.605	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(C)(C)c1ccc(OC)c(OC)c1	271435880	QSIPMPLJAORJMI-UHFFFAOYSA-N	323.393	1.674	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(F)c1)n1nnnc1C(C)(C)C	273367784	GKDNHGMHYUGSRB-VIFPVBQESA-N	306.345	1.814	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)Cc1csc(-c2ccccc2)n1	277876625	DIQVTSWREGDJSD-UHFFFAOYSA-N	319.386	1.271	50	20	DDGD	
CC(C)CSCCNC(=O)NNc1nc2ccccn2n1	276922204	QBRWJLVKBLVNAA-UHFFFAOYSA-N	308.411	1.745	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(C)s1	276543494	JIBXYVZXMNXWMY-UHFFFAOYSA-N	300.380	1.607	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1cccc(C(C)C)c1	276101326	GBPGWFXCVPLBDE-UHFFFAOYSA-N	306.366	1.441	50	20	DDGD	
CC(=O)c1cccc(OC[C@H](O)CN2CC=C(C#N)CC2)c1	272716883	YTCNGGNZUJOYSV-MRXNPFEDSA-N	300.358	1.785	50	20	DDGD	
COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NNC(=O)NC2CC2)c1	276281243	PKQHNINNYPXIKJ-AAEUAGOBSA-N	319.361	1.300	50	20	DDGD	
O=C(NC[C@H]1CCCO1)NNc1ccc2c(O)nccc2c1	287309814	NZMMYXFUOQKMIA-GFCCVEGCSA-N	302.334	1.746	50	20	DDGD	
CC1(CCNC(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)CC1	280480131	UUZNMJCUDFLBLF-UHFFFAOYSA-N	322.321	1.435	50	20	DDGD	
CCOc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)C(C)(C)C)c1	283608629	ZGFPQLGPTRZCBH-UHFFFAOYSA-N	309.322	1.801	50	20	DDGD	
O=C(NC[C@H]1CCCSC1)NNC(=O)c1ccccc1F	287951127	LHQUSRAYFWJROM-SNVBAGLBSA-N	311.382	1.913	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc(O[C@@H](C)C(=O)O)cc1	285222299	FNWGLPQIFULDCI-KWJWQAOWSA-N	318.329	1.208	50	20	DDGD	
CCOC1(C(=O)NNC(=O)c2ccc(C#N)cc2)CCCC1	285128073	JDIOUFCPZCREKY-UHFFFAOYSA-N	301.346	1.669	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ocnc2C2CC2)c(O)c1	289375248	ASHWBKRDUIABBF-UHFFFAOYSA-N	301.302	1.641	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)c1ccc(Cl)cc1O	282711404	PPQWWCOFQPIENN-JOAULVNJSA-N	312.753	1.620	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NNc2cccc(F)n2)C1	286700103	YIZDMHOUWGUZEZ-NWDGAFQWSA-N	322.384	1.949	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)OC(C)(C)C	297247815	BPASXOLQRNMWLL-CABZTGNLSA-N	308.334	1.771	50	20	DDGD	
CC(C)(C)c1nsc(NC(=O)NNC(=O)[C@@H]2CCCO2)n1	292959660	PBMVDINOZRQUAS-ZETCQYMHSA-N	313.383	1.167	50	20	DDGD	
CCOc1ccc(NNC(=O)CCN2CCN(CC)CC2)cc1	294210014	DLICFYOQPREMTE-UHFFFAOYSA-N	320.437	1.556	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cccc(F)c1Cl	802027254	YTHBRDLTPXCCKW-UHFFFAOYSA-N	308.700	1.763	50	20	DDGD	
COc1cc(Cl)cc(C(=O)NNC(=O)[C@H]2CCCCO2)c1	295661467	WBRBFCOBOJHODT-GFCCVEGCSA-N	312.753	1.679	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2)c(C2CC2)n1	292175255	NZEGNPOUXWZPKE-UHFFFAOYSA-N	301.306	1.963	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@](C)(O)[C@@H](C)c2ccccc2)O1	293865582	IQGFBDPRUXBMGI-GWIFVGGISA-N	320.389	1.256	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(F)c(F)c(F)c1F	295741271	NOAGFKBFNPKIIW-MRVPVSSYSA-N	320.242	1.573	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1nc(C)c(C)s1	807370716	SOKRAPWUMAHJRR-UHFFFAOYSA-N	315.395	1.310	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)c2cc(Br)c[nH]2)co1	801601075	YEZSKMCFRIFNCZ-UHFFFAOYSA-N	313.111	1.148	50	20	DDGD	
O=C(NNc1cccc(F)n1)C(=O)Nc1cccc2cc[nH]c12	807391129	HBFTZIZQPXWDCH-UHFFFAOYSA-N	313.292	1.784	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@H]1CCN2CCCC[C@@H]12	298714319	HASVWNBPQFSBND-KBPBESRZSA-N	320.368	1.397	50	20	DDGD	
CCSc1cc(CNC(=O)NNc2ncncc2F)ccn1	814323341	PTBODQBKHBDSCM-UHFFFAOYSA-N	322.369	1.949	50	20	DDGD	
COc1cc(C(=O)NNc2cnnn2C)ccc1OC(C)C	816769703	RYNJGROUAOYLLH-UHFFFAOYSA-N	305.338	1.368	50	20	DDGD	
O=C(NN=C1CCO[C@H](C(F)(F)F)C1)c1ccc(O)c(O)c1	814920766	KEKSDVYFCQTVFA-NSHDSACASA-N	318.251	1.925	50	20	DDGD	
CCOc1ccc(NNC(=O)C(=O)Nc2cc(C)ns2)cc1	815817566	YYWNADZQNWZOPF-UHFFFAOYSA-N	320.374	1.932	50	20	DDGD	
O=C(O)COc1ccc(C=NNC(=O)[C@@H]2CCCS2)cc1	819825645	ZEMVHLTVHHCBNP-LBPRGKRZSA-N	308.359	1.496	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)CNc2ccc(OC)cc2)C1	819801647	NLFRQJQTRIMNTH-UHFFFAOYSA-N	319.361	1.552	50	20	DDGD	
Cn1nncc1NNC(=O)c1csc(-c2cccs2)n1	816772203	QTGTZSQQOHICOW-UHFFFAOYSA-N	306.376	1.757	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)CC1(C(=O)O)CCC1	814865815	ZXANYFMPUQATLZ-LLVKDONJSA-N	300.355	1.175	50	20	DDGD	
C=CCNC(=S)NNC(=O)COc1ccc(Cl)c(F)c1	814718062	GLTBXTCTDPPKED-UHFFFAOYSA-N	317.773	1.539	50	20	DDGD	
CN1CCC(CC(=O)NNC(=O)CCCc2ccccc2)CC1	813438186	BOTFOCDCFJBDQH-UHFFFAOYSA-N	317.433	1.889	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1conc1C1CC1	811318460	IYUFMKMCWATPEH-SECBINFHSA-N	323.349	1.291	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)COc1cccc(C(F)(F)F)c1	823993368	OSLUVHOIMYBEAR-VIFPVBQESA-N	306.284	1.428	50	20	DDGD	
O=Cc1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cs1	826483917	FZXDWJWOPZFNKL-UHFFFAOYSA-N	314.330	1.498	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)C[C@@H]1CC[C@@H]2C[C@H]12	822234223	JLMZMZAWQYNWMM-AGIUHOORSA-N	312.373	1.840	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CCCCN1CCOCC1	492485732	XPDIDLJFMSHEOJ-UHFFFAOYSA-N	301.387	1.045	50	20	DDGD	
COc1ccc(C(=O)NN(C)[C@@H](C)CO)c(OCC2CC2)c1	823935030	MMDFZCONUUIJGH-NSHDSACASA-N	308.378	1.441	50	20	DDGD	
CN(CCc1ccccc1)CC(=O)NNc1ccnc(F)c1	821807494	UADNSNRDYZNPPP-UHFFFAOYSA-N	302.353	1.838	50	20	DDGD	
C[C@H](O)C[C@@H](CNCc1ccccc1B(O)O)c1ccccc1	585028732	PNFFDSNYZIKDTG-YOEHRIQHSA-N	313.206	1.011	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F	822384164	LFIIOTPENZRCTN-DTWKUNHWSA-N	316.283	1.148	50	20	DDGD	
Cc1nc(C)c(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)s1	826079968	QZBHXWSRRLACDQ-WPRPVWTQSA-N	312.395	1.015	50	20	DDGD	
NC1(CNS(=O)(=O)c2ccc(CCCCl)cc2)CC1	903526865	HOIPQRMQNJSPER-UHFFFAOYSA-N	302.827	1.628	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCCCOC1CCOCC1	491946558	BHAIQKLOXVQBJO-UHFFFAOYSA-N	317.386	1.311	50	20	DDGD	
CCC1(CC)CCN(C(=O)c2cc(B(O)O)ccc2F)CC1	584976817	MPMHUTSSCUVRBS-UHFFFAOYSA-N	307.174	1.548	50	20	DDGD	
CC(=O)N[C@H](CC(=O)NNc1cnccn1)c1cccs1	734244179	SAAGEGAGNAJZQT-SNVBAGLBSA-N	305.363	1.249	50	20	DDGD	
O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CC[C@@H](B(O)O)C1	585068722	GHFGADYFELAFLQ-SECBINFHSA-N	319.557	1.419	50	20	DDGD	
COC(=O)N(C)NC(=O)c1nnn(-c2ccccc2Cl)c1C	495761638	LAEDKTDDCLFGIW-UHFFFAOYSA-N	323.740	1.572	50	20	DDGD	
Cn1nnc2cc(C=NNC(=O)CNc3ccccc3)ccc21	737417402	KAEMKPRUFIBYKV-UHFFFAOYSA-N	308.345	1.531	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)cc1	908054661	YORNKBDBEUIDPM-MRVWCRGKSA-N	316.361	1.130	50	20	DDGD	
CCOc1ccc(CN(C)CC(=O)NNC(=O)C2CC2)cc1	733193524	UERGUYGGIULCCG-UHFFFAOYSA-N	305.378	1.075	50	20	DDGD	
COc1ccc(OC)c(CCCNS(=O)(=O)CCl)c1	830962675	YWGUBNINVQMPIM-UHFFFAOYSA-N	307.799	1.752	50	20	DDGD	
CO[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2O)C12CCC2	838764999	HWCRWWLIMHKRAN-OLZOCXBDSA-N	319.361	1.294	50	20	DDGD	
COCOCCCNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	491136989	WRLUEEBJXIJVFI-AUWJEWJLSA-N	316.361	1.239	50	20	DDGD	
C[C@]1(C(=O)N2CCC[C@H](CC(N)=O)C2)C[C@H]1Br	906886006	QYOJMVYHFNCIOQ-LNLATYFQSA-N	303.200	1.274	50	20	DDGD	
O=C(CCc1ccc(C(=O)O)cc1)NNC(=O)C1CCCC1	739255671	FIIYYRUSPNYWJH-UHFFFAOYSA-N	304.346	1.655	50	20	DDGD	
C[C@H]1COc2ccccc2[C@@H]1NCc1ccc(B(O)O)cc1F	585034249	GVBFHLVREXXFIP-APPDUMDISA-N	315.153	1.365	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1OC	831057324	GJECFKJHYDGNKZ-ONGXEEELSA-N	323.349	1.282	50	20	DDGD	
CC(C)CNC(=O)[C@H](C)OC(=O)/C(C#N)=C/c1cnn(C)c1	837970221	ZWCOZTWWZKTIDE-CBJCJLNRSA-N	304.350	1.031	50	20	DDGD	
O=C(c1cc(-c2cccc(F)c2)no1)N1CC[C@@H](B(O)O)C1	585076625	NVBCTQOBIBDROC-SNVBAGLBSA-N	304.086	1.170	50	20	DDGD	
COC(=O)C(C)(C)CCNC(=O)[C@@]1(C)C[C@H]1Br	908125463	RJYUFYGSEJEGGK-PELKAZGASA-N	306.200	1.865	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)COc1ccc(Cl)cc1	732527818	KKRYBHKQQNMIOP-UHFFFAOYSA-N	318.782	1.256	50	20	DDGD	
Cn1cc(/C=C\C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)cn1	739026025	IJRMYTZFYSGQTC-DJWKRKHSSA-N	317.257	1.645	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)[C@@H]1COc2ccccc2O1	733808757	ICGXRHRDORLCAF-INIZCTEOSA-N	322.324	1.913	50	20	DDGD	
CC(C)(C)N1C[C@H](C(=O)NNc2nccnc2Cl)CC1=O	734261641	REJUZHOUZJVOIG-MRVPVSSYSA-N	311.773	1.220	50	20	DDGD	
C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(B(O)O)cc1	584960173	ICVZDRDRUNOZAH-DYVFJYSZSA-N	309.174	1.385	50	20	DDGD	
O=C(NNC(=S)Nc1ccc2c(c1)OCCCO2)C1CCC1	731944468	NQGOEAUJPBGKNO-UHFFFAOYSA-N	321.402	1.966	50	20	DDGD	
CCc1nc(CNC(=O)NNC(=O)CCc2ccccc2)co1	838695415	HDGBCXDLPHQXEY-UHFFFAOYSA-N	316.361	1.700	50	20	DDGD	
Cc1nccn1CC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	837604445	PGBRRPVRDCIHLQ-UHFFFAOYSA-N	316.365	1.110	50	20	DDGD	
CC(C)(C)[C@@H]1OCCC[C@@H]1CNCc1ccc(B(O)O)cc1	585023591	NSKVIYQQPKJWOI-GDBMZVCRSA-N	305.227	1.297	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)C1CCC(n2cccc2)CC1	584910243	OBXVENFEXHFTCS-UHFFFAOYSA-N	312.178	1.538	50	20	DDGD	
OB(O)c1ccc(CNCC2(N3CCCCC3)CCCCC2)o1	585016173	IVCOSWFFKNUDPG-UHFFFAOYSA-N	320.242	1.238	50	20	DDGD	
CC(C)(C)OC(=O)C[C@@H]1CCCN(S(=O)(=O)CCl)C1	830863953	NTELONNOSHVYOI-JTQLQIEISA-N	311.831	1.956	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)[C@@H](C)CN1CCCCCC1	834932611	FVYJJMGMCBLFON-ZDUSSCGKSA-N	320.441	1.569	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)Nc2ccc(OC)cc2)n1	834984004	ZYYSXWHJDAYWRL-UHFFFAOYSA-N	302.338	1.771	50	20	DDGD	
Cc1nc(-c2ccccc2)oc1C(=O)N1CC[C@H](B(O)O)C1	585067236	RSZCQPVXAGLTCS-LBPRGKRZSA-N	300.123	1.339	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cc2c(nc1O)CC(C)(C)CC2=O	730272789	JRZOKKHOYZYVAH-UHFFFAOYSA-N	319.361	1.359	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cccc(CC#N)c1	831855624	YYVPXGFUJRMWGV-MFKMUULPSA-N	302.334	1.330	50	20	DDGD	
CCCN(C(=O)c1ccc(B(O)O)cc1)[C@@H]1CCc2ccccc21	584937666	ANNSBYXGEYURBB-GOSISDBHSA-N	323.201	1.906	50	20	DDGD	
C[C@H](C#N)Oc1ccc(/C=C(/C#N)S(=O)(=O)NC2CC2)cc1	588590394	QIPZHCJOTBPWRN-SHLUWWQESA-N	317.370	1.924	50	20	DDGD	
Cc1cccc2c1O[C@H](C(=O)NNC(=O)[C@H]1CCCCO1)C2	833235485	FIKAPTHMXLCOKJ-OLZOCXBDSA-N	304.346	1.015	50	20	DDGD	
C=C[C@](C)(O)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	834584252	OJKILITWHVBCEP-OTYXRUKQSA-N	312.753	1.192	50	20	DDGD	
CCC/C=C/C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C	734241470	GFIODCGSNXSTDD-BQYQJAHWSA-N	314.386	1.198	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)COc1ccc(C#N)cc1)C1CCC1	837309359	KOMHYWWBEOLIFZ-LLVKDONJSA-N	301.346	1.521	50	20	DDGD	
Cc1ccc(C(=O)NN=C2CCN(CCCC(=O)O)CC2)o1	832911250	BIRAEWNJIUFRML-UHFFFAOYSA-N	307.350	1.634	50	20	DDGD	
CC[C@H](C)[C@@H](C=NNC(=O)CNC(=O)c1cccs1)OC	834952054	KHLDGSGDPSRPTA-WDEREUQCSA-N	311.407	1.641	50	20	DDGD	
COc1nccnc1NNC(=O)[C@]1(C)C[C@@H]1Br	910580429	HIVQGZPQTAXMMS-QUBYGPBYSA-N	301.144	1.102	50	20	DDGD	
CC(C)(C)[C@@H](NC(N)=O)C(=O)NNc1nc2ccccc2[nH]1	839715244	BTCLSPAKUMLUAL-JTQLQIEISA-N	304.354	1.089	50	20	DDGD	
CCOc1cccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n1	831672708	PTLWDQHEURPHET-NXEZZACHSA-N	308.338	1.058	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)C[C@@H]1C[C@H]2CC[C@H]1O2	836222299	BOMQYMJQMLAHKJ-IACUBPJLSA-N	322.792	1.988	50	20	DDGD	
C=CCC1(C(=O)NNC(=O)CN2CCCC2=O)CCCCC1	913733875	ZMHNUDOOHMHHLF-UHFFFAOYSA-N	307.394	1.283	50	20	DDGD	
NCc1ccc(CNC(=O)NNC(=O)CC(F)(F)F)c(F)c1	846204395	RUUSDDDGLVANDM-UHFFFAOYSA-N	322.262	1.067	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)c1ccc([N+](=O)[O-])[nH]1	747176779	PFDCNBNURQFPLE-UHFFFAOYSA-N	318.289	1.153	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@H](C#N)CC	845085051	RTTNEWQKPWFPEV-NSHDSACASA-N	313.361	1.296	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccco2)c1	744482410	SNJBPQLHFPOXLD-UHFFFAOYSA-N	302.286	1.206	50	20	DDGD	
O=C(NNc1ccc(F)cc1Br)[C@]1(O)CCOC1	840400981	BOXGDMWPWHNRFZ-NSHDSACASA-N	319.130	1.183	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)CNc2ccccc2)[nH]1	747625498	KWJVNZGXHQHFOY-UHFFFAOYSA-N	300.318	1.364	50	20	DDGD	
O=C(NNc1cccnn1)c1ccc(-c2n[nH]c(C3CC3)n2)cc1	748854139	XYUATVZWHJORGR-UHFFFAOYSA-N	321.344	1.896	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ncccc1N(C)C)C1CC1	912160578	NGNDMSCNAULOHP-VIFPVBQESA-N	307.423	1.055	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1ccc(O[C@@H]2CCOC2)cc1	849248573	VETJMESOYSDSAS-UWZYDCLUSA-N	322.386	1.610	50	20	DDGD	
CCN(CC)C(=O)c1ccc(C(=O)NN(C)C[C@@H](C)O)cc1	910164959	FPWYBJAQYKOZAQ-GFCCVEGCSA-N	307.394	1.126	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cc1c(F)cccc1Cl	843638506	CSDXSACOBBHNGB-RKDXNWHRSA-N	314.744	1.594	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F	843650338	BFEAAQRFISCTOS-NAKRPEOUSA-N	324.327	1.641	50	20	DDGD	
COCC1CCC(NC(=O)NNc2cncc(Cl)n2)CC1	840443874	MOUFGJGNNLHQQA-UHFFFAOYSA-N	313.789	1.961	50	20	DDGD	
Cc1nc(C=NNC(=O)[C@@H]2COc3ccccc3O2)cs1	916291695	CXPXZSBYGIXCHV-ZDUSSCGKSA-N	303.343	1.742	50	20	DDGD	
CCC(N)(CC)CNC(=O)NNC(=O)c1cccc(Cl)c1	841951236	GDWRZFMKIILHSJ-UHFFFAOYSA-N	312.801	1.802	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccoc2)c1	744602801	WXRAEJRBQJBNRP-UHFFFAOYSA-N	302.286	1.206	50	20	DDGD	
O=C(NN=C1CCCC[C@H]1N1CCCCC1)N1CCOCC1	748784758	BMMWWQINLSGQPM-OAHLLOKOSA-N	308.426	1.813	50	20	DDGD	
C[C@H]1CCCc2ncc(C(=O)NNC(=O)NC3CCCC3)n21	845322651	ZGSVEXMGMFWCRY-JTQLQIEISA-N	305.382	1.667	50	20	DDGD	
CC[S@](C)(=O)=NC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	925851854	STHJBKPCMWJWOZ-XITWRUSESA-N	304.375	1.756	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)CNc2ccccc2F)cn1	920986168	CMIWBONGXLIGEK-UHFFFAOYSA-N	303.341	1.994	50	20	DDGD	
O=C(C[C@H]1CSCCS1)NNC(=O)OCC(F)(F)F	856021736	LIKZSNGRWFVDHE-LURJTMIESA-N	318.342	1.545	50	20	DDGD	
CO[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2C)C1(C)C	753425309	NBYLWRSJIKWMPU-OLZOCXBDSA-N	305.378	1.753	50	20	DDGD	
O=C1NC2(CCN(C[C@H](CBr)C3CC3)CC2)CO1	859245908	CWNPIPDEGZUMLB-NSHDSACASA-N	317.227	1.982	50	20	DDGD	
Cc1sc(CC(=O)NNC(=O)c2cc[nH]n2)nc1C(C)C	855356791	RSVMYMRMTMWYDU-UHFFFAOYSA-N	307.379	1.302	50	20	DDGD	
O=C(NN=C[C@@H]1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1	755622231	VZWJFTUSDUMOQF-STQMWFEESA-N	306.387	1.253	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)/C=C\c1ccc(C)nc1	854283979	RUEPPXYYOIPIRK-FPLPWBNLSA-N	322.434	1.277	50	20	DDGD	
Cc1ccc2c(c1)C(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)CCC2	753923431	HLZZRGSYEHKYGL-CYBMUJFWSA-N	320.414	1.586	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2occc2C)cc1OC	854180409	MEEOFEVEXKHPOE-UHFFFAOYSA-N	318.329	1.609	50	20	DDGD	
CCc1ncncc1C(=O)NNC(=O)Cc1ccccc1OC	920007434	HWLLNCTXEJKIJU-UHFFFAOYSA-N	314.345	1.051	50	20	DDGD	
Cc1ccncc1/C=C/C(=O)NNC(=S)NCC1CCC1	855089432	QTCQWTPNVZVUSY-AATRIKPKSA-N	304.419	1.699	50	20	DDGD	
CCC(C[C@H](C)CC)=NNC(=O)N[C@H]1CCS(=O)(=O)C1	920384486	LTCOPYQNUXWZOM-PWSUYJOCSA-N	303.428	1.675	50	20	DDGD	
C[C@]1(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H]1Br	857249144	BXXQKUIVLRLGEI-WCBMZHEXSA-N	302.128	1.826	50	20	DDGD	
CCOc1nccc(C)c1C(=O)NNC(=S)N[C@H](C)C1CC1	855098747	GTCSESHQUSYONP-SNVBAGLBSA-N	322.434	1.696	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1cc(C(N)=O)cs1	755891266	ZZXKCBXYXAAWPP-UHFFFAOYSA-N	317.370	1.548	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCc1ccc(F)c(F)c1	920343687	BASNNCYOMXOMDQ-UHFFFAOYSA-N	311.210	1.748	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCSc1ccc(OC)cc1	854926665	IHCUNLSFCYRLGZ-UHFFFAOYSA-N	313.448	1.645	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNC(=O)c2cccc(F)n2)no1	856424090	HSIRUESQSDOXBK-UHFFFAOYSA-N	306.297	1.581	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1n[nH]c2c1CCCC2)C1CC1	855101489	BVJNNGKYZISHBR-QMMMGPOBSA-N	307.423	1.196	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN(C1CC1)[C@H](C)C#N	852479007	AYEZIVYLZRXLHW-CYBMUJFWSA-N	314.389	1.061	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2nc3ccc(Cl)cc3s2)CN1	856234367	WCKBMMRQJBOLBA-SSDOTTSWSA-N	324.793	1.919	50	20	DDGD	
COc1cccc([C@H](CNC(=O)NNC(=O)C2CCC2)OC)c1	858653639	AOIYCALMIIKUNE-AWEZNQCLSA-N	321.377	1.513	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cnc3n2CCC3)c1F	854884850	QVVZDASJEAKVKD-UHFFFAOYSA-N	318.308	1.512	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NN=Cc1ccccn1	853375655	XTNJSMMWQAALQJ-UKRRQHHQSA-N	313.361	1.433	50	20	DDGD	
Cc1noc(CCCC(=O)NC[C@]2(C)C[C@H]2Br)n1	857397802	IYSRJYWOEJGWRC-SKDRFNHKSA-N	316.199	1.990	50	20	DDGD	
CCCN(NC(=O)C[C@H]1CCC(=O)N1C)C(=O)OC(C)(C)C	854432965	XSWAYODSGGGKNH-LLVKDONJSA-N	313.398	1.676	50	20	DDGD	
CC(=O)N[C@H](CCC(C)C)C(=O)NNc1ncc(F)cc1F	854897697	FSAKRKOFSFIZRS-GFCCVEGCSA-N	314.336	1.744	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@H](C)N2CCCCC2)o1	752888718	OBCANDYDCGXZDI-NSHDSACASA-N	308.382	1.406	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)Cc1ccncc1)OCO2	758877602	DPLVHJGUGMJGLG-UHFFFAOYSA-N	313.313	1.512	50	20	DDGD	
Cc1ccccc1COCC(=O)NNC(=O)NC1CCCC1	857708258	JPUCDEOVHUHXNF-UHFFFAOYSA-N	305.378	1.785	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(CC(F)(F)F)cc1	756739725	XRJSYLDQWZEOGN-UHFFFAOYSA-N	305.256	1.591	50	20	DDGD	
CC1(C)CC(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC(C)(C)C1	862463464	FEEFGTSHJQDUBL-LLVKDONJSA-N	309.410	1.265	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCC(=O)N1)C(C)(C)c1ccc(F)cc1	863149239	VKPZTUWOICCYAE-ZDUSSCGKSA-N	305.353	1.874	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC(=O)N[C@H]2CCCC[C@H]21	866955014	AYFLTENDUHMIQB-WDEREUQCSA-N	322.858	1.324	50	20	DDGD	
Nc1ncccc1C=NNC(=O)c1nnc(O)c2ccccc12	764660731	RUELVGPUNHHAJB-UHFFFAOYSA-N	308.301	1.077	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@H](c1ccccn1)C1CC1	932382284	QSICDJHMBBMATP-WBMJQRKESA-N	318.421	1.704	50	20	DDGD	
C[C@H](NNC(=O)c1ccnc(NC(=O)C2CC2)c1)C(F)(F)F	862320846	WDZUBUHFKVMIAW-ZETCQYMHSA-N	316.283	1.615	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccc2ccccc2n1)C1CCC1	863852391	CMJKJQRTVUMTPX-UHFFFAOYSA-N	312.373	1.480	50	20	DDGD	
COC1CC(C(=O)NNC(=O)Cc2ccc3ccccc3c2)C1	863858762	RMIDAUXJBKNPIM-UHFFFAOYSA-N	312.369	1.955	50	20	DDGD	
O=C(NNC(=O)C1SCCS1)c1c[nH]c2ccccc12	761136236	RWXDQXVLGCDLFK-UHFFFAOYSA-N	307.400	1.735	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@@H]2C)cc1	861566797	RSPZHGKMCLFESW-RMIALFOJSA-N	321.377	1.907	50	20	DDGD	
C[C@@H]1CCN(CC(=O)NNC(=O)C2CC2)CC12CCCCC2	765086860	XRCXAYGFEJMAML-CYBMUJFWSA-N	307.438	1.836	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)NCc1ccc(Cl)cc1	867689129	KVXOSCKGIMWPKN-UHFFFAOYSA-N	313.785	1.986	50	20	DDGD	
C=CCOc1ccc(C=NNC(=O)[C@H]2CCC(=O)N2)cc1Cl	863148567	FEULZLDYIIRUGD-GFCCVEGCSA-N	321.764	1.634	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=S)NCc1ccon1	764475479	YLGHNKGOCDLWRP-UHFFFAOYSA-N	318.402	1.693	50	20	DDGD	
O=C(Nc1cccc(N2CCCCC2)c1)c1ccc(B(O)O)cc1	864987242	LGRXURCFIMHVHC-UHFFFAOYSA-N	324.189	1.609	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)c1cscn1	767907587	FUYYLABSUXNTAF-UHFFFAOYSA-N	308.388	1.475	50	20	DDGD	
COc1cc(O)ccc1C=NNC(=O)[C@H](C)CN1CCCCC1	1115821462	LSZJDPPJBPQRPG-CYBMUJFWSA-N	319.405	1.973	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)Cc1ccco1	765413490	ZOLGQGJPXKXMTI-UHFFFAOYSA-N	305.359	1.849	50	20	DDGD	
C[C@@H]1CCc2nc(C=NNC(=O)c3cnccn3)sc2C1	1117741533	AVILUYZDIOOWCV-SECBINFHSA-N	301.375	1.822	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CCN(C)C(=O)OC(C)(C)C	1117100733	NHSYVZPXWXEEDC-UHFFFAOYSA-N	318.443	1.147	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CO[C@H]1CCOC1)c1ccccc1	1116193754	HNOJBSODHXRPCR-KBPBESRZSA-N	306.362	1.133	50	20	DDGD	
CCc1nnc(O)c(C(=O)NNc2cc(C)ncn2)c1CC	771019042	ZRZXWKVLMHXFGL-UHFFFAOYSA-N	302.338	1.162	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNC(=S)Nc1ccc(C)cc1C	873759600	YOHQNTVFMDJDMF-UHFFFAOYSA-N	323.418	1.963	50	20	DDGD	
Cc1cc(=NNC(=O)NCCCCN2CCC[C@H](C)C2)cc[nH]1	875079132	XAMAZZCQVWNGLG-AWEZNQCLSA-N	319.453	1.950	50	20	DDGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)C1(F)CCOCC1	879518809	WMNWMDBJAZMNCX-UHFFFAOYSA-N	301.249	1.696	50	20	DDGD	
CC1(C)CCC[C@@H]1C(=O)OCC(=O)NNC(=O)c1ccccc1	772603662	SDBTWLQBHWISQS-CYBMUJFWSA-N	318.373	1.817	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(-c2ccco2)nn1C	1116814561	UJEJWKQPMGWIHS-UHFFFAOYSA-N	306.326	1.378	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCC(C)CC1)c1cnn(C)c1C	778540658	RTVZUZVYIAWTHX-CYBMUJFWSA-N	319.453	1.937	50	20	DDGD	
COCCN(C)NC(=O)Nc1cnn(C)c1-c1ccccc1	879575378	JXSGLVDHEUWPPI-UHFFFAOYSA-N	303.366	1.702	50	20	DDGD	
Cc1cccc(NNC(=O)NCCCN2CCCCC2=O)n1	875253665	XZECOLJTWQMJFP-UHFFFAOYSA-N	305.382	1.419	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)C2(Br)CC2)cc1	874251391	RDFSOODZGRTAND-UHFFFAOYSA-N	308.135	1.247	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)c1ccc2nnnn2c1	777463190	HREQPUUZKSIYTD-UHFFFAOYSA-N	305.301	1.429	50	20	DDGD	
N#CSCCCNC(=O)CCS(=O)(=O)C1CCCC1	773585417	IFPWUWSNWSTWDG-UHFFFAOYSA-N	304.437	1.454	50	20	DDGD	
CCCOc1cccc(C(=O)O[C@H](C)C(=O)NNC(=O)CC)c1	772023301	QHCKSDAQBQMPMW-LLVKDONJSA-N	322.361	1.578	50	20	DDGD	
COCC[C@@H](N)Cc1cn(/C(Cl)=C/CBr)nn1	881311026	WPIHVTHFXJCBDS-WCKRHZOVSA-N	323.622	1.617	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1nc(Cl)sc1Cl	883071257	SXPIVTKZAFIBGC-UHFFFAOYSA-N	324.189	1.638	50	20	DDGD	
CC(=O)Nc1ccc(C)c(C(=O)NNC(=O)CC(F)(F)F)c1	781026112	NMGGKNZKQHVCFX-UHFFFAOYSA-N	317.267	1.667	50	20	DDGD	
CC[C@@H]1CCC[C@H](C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1	783821821	PMWRQYHTKDEAQR-FRRDWIJNSA-N	300.424	1.740	50	20	DDGD	
COc1cccc(NNC(=O)Nc2cccc(C(N)=O)c2)n1	780014062	PTVMDZQIUJDJQA-UHFFFAOYSA-N	301.306	1.338	50	20	DDGD	
NC[C@H]1CC[C@H](NC(=O)NNC(=O)CCc2ccccc2)CC1	892448675	VUELNLNDOUKYLT-SHTZXODSSA-N	318.421	1.467	50	20	DDGD	
CC(C)C(=O)NNC(=O)N=c1cc[nH]cc1Br	782593365	HKCIXLXIJDMIJF-UHFFFAOYSA-N	301.144	1.075	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cc(C(=O)OC)no2)c1	781039605	NTFVMFQQZRFMIU-UHFFFAOYSA-N	319.273	1.005	50	20	DDGD	
Cc1cncc(NC(=O)C(=O)NNc2ncccc2Cl)c1	784814769	KDFIRPSQVCJZAD-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
CC(=O)N/C(=C\c1ccccc1)C(=O)NNc1ccnc(F)c1	781363096	RJWCMFZNGWOVSP-ZROIWOOFSA-N	314.320	1.841	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)NC/C=C\Cl)c1	899057092	KAQYRBDRLSMPFB-UTCJRWHESA-N	311.769	1.765	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCN1CCC(C)(C)C1	898598408	WDARWCUTUPZXME-UHFFFAOYSA-N	318.421	1.671	50	20	DDGD	
CC(C)(C)N1C[C@H](C(=O)NNc2ccc(C#N)cn2)CC1=O	899664421	VOACUSVSMPGJAH-LLVKDONJSA-N	301.350	1.043	50	20	DDGD	
C=C[C@@H](NNC(=O)c1cc2c(s1)CC[C@H](C)C2)C(=O)OC	799976835	XCKOORNNHXCLOT-GXSJLCMTSA-N	308.403	1.835	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1ccco1	795161591	QAOFXKCAGNVKIT-UHFFFAOYSA-N	309.347	1.287	50	20	DDGD	
O=S(=O)(NC[C@@]1(O)CCSC1)c1ccc(CCl)cc1	702274169	XXEIGWATJNPOLK-LBPRGKRZSA-N	321.851	1.572	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	792811671	ZWETYMJIIXBTOQ-MEDUHNTESA-N	317.389	1.919	50	20	DDGD	
COc1cc(C=NNC(=O)c2sc(N)nc2C)ccc1C#N	799476539	MVEJQKGYSBMZIG-UHFFFAOYSA-N	315.358	1.678	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1c(O)ccc(Cl)c1F	790153525	IOSRXEMOFZNARV-UHFFFAOYSA-N	301.705	1.159	50	20	DDGD	
CC(C)n1cnc(C(=O)NNc2ccccc2S(C)(=O)=O)c1	798980275	KECQUWDYVUSVFJ-UHFFFAOYSA-N	322.390	1.624	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41)C1CCCC1	793029544	VKCAJAQDVMPXJE-WBTLJEKMSA-N	300.402	1.718	50	20	DDGD	
O=C(NN=Cc1ccc([N+](=O)[O-])s1)c1ccc(O)c(O)c1	794558891	KOKAWMPWPIRPFT-UHFFFAOYSA-N	307.287	1.831	50	20	DDGD	
COC/C=C/C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	791296968	PFWOEBCBXHDRJM-PPGNKHEKSA-N	306.362	1.421	50	20	DDGD	
Cc1ccc(NCC(=O)NN=C2CC(=O)N3CCCC[C@H]23)cc1	799467500	QLKAGOFQIDNZQK-OAHLLOKOSA-N	314.389	1.664	50	20	DDGD	
COc1cc(NNC(=O)Cn2cccnc2=O)ccc1Cl	790169058	UPLKWNZOKLVUAO-UHFFFAOYSA-N	308.725	1.049	50	20	DDGD	
O=S(=O)(CBr)N1CCC[C@@H]1c1ccccn1	782422379	RRPDTGOEQZGXFH-SNVBAGLBSA-N	305.197	1.901	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)C1CCS(=O)(=O)CC1	1318912220	GGZIXICOSYRPLP-UHFFFAOYSA-N	303.771	1.003	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cnn3c(C)cc(C)nc23)n1	1317793709	ZFAWSLXXXDOQTQ-UHFFFAOYSA-N	311.349	1.510	50	20	DDGD	
C[C@@H](c1ccccc1)[C@@H](C)NC(=O)NNC(=O)C1CCNCC1	1325311019	MFVKRTAZBYEHLU-CHWSQXEVSA-N	318.421	1.509	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccc(C)cc1-c1ccnn1C	1322773367	LJFJZQQNMAPJDX-UHFFFAOYSA-N	300.318	1.019	50	20	DDGD	
CN(C)c1nccc(NNC(=O)C2(Oc3ccccc3)CC2)n1	1325460653	GDLYRIUEFKOVED-UHFFFAOYSA-N	313.361	1.597	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C(C)C)ccc1N1CCCC1=O	1325171612	JXLFOPOCAMUFCE-UHFFFAOYSA-N	318.377	1.931	50	20	DDGD	
C[C@H]1[C@H](C(=O)NNc2ccn(C)n2)CCN1C(=O)OC(C)(C)C	1325385967	NUOMWZJVGRNRQR-WDEREUQCSA-N	323.397	1.509	50	20	DDGD	
COc1ccc(C=NNC(=O)C[n+]2ccccc2)c(Cl)c1	1321960911	VTAVRIRVFYUNEX-UHFFFAOYSA-O	304.757	1.786	50	20	DDGD	
Cn1ccc(NNC(=O)COc2ccc3ccc(=O)oc3c2)n1	1321388995	SFVIWTNLPWCOHW-UHFFFAOYSA-N	314.301	1.049	50	20	DDGD	
Cc1cc([C@H](C)NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(C)o1	1325963014	AQWRAHIPHYTWAH-UMNHJUIQSA-N	309.366	1.713	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cccc(C#N)c1C	1321222330	FFJVCOONDTTZOY-UHFFFAOYSA-N	323.352	1.879	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2cccc3nccn23)CC1	1334128418	LBHIBPJAVIPGBV-UHFFFAOYSA-N	313.405	1.906	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NNc1nncc(N)c1Cl	1333510749	XSRSSPYCGFPWJP-UHFFFAOYSA-N	322.712	1.686	50	20	DDGD	
CN(C)c1c(C=NNC(=O)C2CCOCC2)ccc(F)c1F	1331350377	NATMDLHCETWQDE-UHFFFAOYSA-N	311.332	1.908	50	20	DDGD	
COC(=O)C(=O)NNC(=S)Nc1cccc(Cl)c1C	1252511026	HFCSSQPUZVXDQM-UHFFFAOYSA-N	301.755	1.139	50	20	DDGD	
C[N+](C)(C)CC(=O)NN=C1CCCc2ccc([N+](=O)[O-])cc21	1256370145	MDRSIHWNJCDPMN-UHFFFAOYSA-O	305.358	1.458	50	20	DDGD	
O=C(c1ccccc1)N1CCC[C@@H](NS(=O)(=O)CCl)C1	1260938182	LARYQVKCOXCTMT-GFCCVEGCSA-N	316.810	1.407	50	20	DDGD	
O=C(NNC(=S)Nc1ccsc1)C(=O)Nc1ccccn1	1343545166	SZFHQDUUKJGKAO-UHFFFAOYSA-N	321.387	1.099	50	20	DDGD	
C=CCC(CC=C)C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1340276650	OLEUVGRXONPCEO-UHFFFAOYSA-N	302.378	1.818	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NC[C@@H]1CCCCCN1	1353514885	QCMPGIFLLWAEPL-HNNXBMFYSA-N	318.421	1.400	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cnoc2C(C)C)cc1	1518774286	NZDBQDDIVASSBP-UHFFFAOYSA-N	317.345	1.946	50	20	DDGD	
C=C(C)COCCNC(=O)NNc1ccc(CC(=O)O)cc1	1602762288	DBPBRFJLLCNZTH-UHFFFAOYSA-N	307.350	1.533	50	20	DDGD	
C[C@@H]1SCCC1=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1603955977	NQYQZXAHTGMGLO-QMMMGPOBSA-N	302.363	1.478	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCc2cc(-c3nn[nH]n3)ccc21	1604414337	QKCYKAVMQAZQTA-FMIVXFBMSA-N	310.317	1.200	50	20	DDGD	
CCc1cc(CNC(=O)NNc2ccc(CC(=O)O)cc2)on1	1605798587	NYVJUUNSDFFPAR-UHFFFAOYSA-N	318.333	1.690	50	20	DDGD	
C=C[C@@H]1OCCC[C@H]1NC(=O)NNc1cccc(C(=O)O)c1F	1609487484	UKAMGJZNSRASMQ-PWSUYJOCSA-N	323.324	1.884	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)N[C@H]1C[C@@H](C(=O)O)C1	1601554780	GTXXMXFODLAQCK-AOOOYVTPSA-N	317.301	1.240	50	20	DDGD	
CN(C)C1(C(=O)NNc2ccc(CC(=O)O)cc2)CCCC1	1606010813	DEMIHWDWVZYLAW-UHFFFAOYSA-N	305.378	1.631	50	20	DDGD	
Cc1cc(NC(=O)NNc2ncccc2F)ncc1C(=O)O	1600271608	LCVYSXLHSCCDSG-UHFFFAOYSA-N	305.269	1.771	50	20	DDGD	
C[C@@]1(CNc2cncc(-c3nn[nH]n3)n2)C[C@@H]1Br	1603808261	UOVOAWZREVXTEE-XVKPBYJWSA-N	310.159	1.242	50	20	DDGD	
CON=Cc1ccc(C(=O)NNc2ccc(C(=O)O)cn2)cc1	1610277962	ZRWSVYYJKBKSJS-UHFFFAOYSA-N	314.301	1.517	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@@H]1C(=O)NN=Cc1cncs1	1549319234	JGEWMCVYRMNVTO-AAEUAGOBSA-N	319.390	1.495	50	20	DDGD	
Cc1cc(C(=O)O)ccc1NC(=O)NNc1ncncc1F	1610441572	HWLSYGPHHCICAM-UHFFFAOYSA-N	305.269	1.771	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1ccc(C(=O)O)[nH]1	1610531277	VINLVNLCACSXHK-UHFFFAOYSA-N	301.302	1.025	50	20	DDGD	
CCOCCCCNC(=O)NNc1cccc(C(=O)O)c1F	1610032228	CWUUUPFPIRIVQD-UHFFFAOYSA-N	313.329	1.967	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N2C[C@@H](C)[C@H](C(=O)O)C2)cc1F	1610484731	BZXXXQJYOZGRIU-MWLCHTKSSA-N	323.324	1.141	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NN=C1CCCN2CCCC[C@@H]12	1552253425	HPSOERZOUPYAAG-LSDHHAIUSA-N	306.454	1.980	50	20	DDGD	
CC1(C)CNCC[C@H]1NC(=O)NNC(=O)CCc1ccccc1	1576481067	QPMHTHPTCCMGGQ-CQSZACIVSA-N	318.421	1.338	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1csc([C@H](C)N)n1	1575871386	LHIXZRQKZKITMR-QMMMGPOBSA-N	306.395	1.833	50	20	DDGD	
C[C@H]1CCc2c(C(=O)NNC(=O)[C@H]3CCCNC3)csc2C1	1576759574	YMLJZWJWTVDPLI-QWRGUYRKSA-N	321.446	1.634	50	20	DDGD	
C[C@H](C(=O)O)[C@H](NS(=O)(=O)CCCCl)c1ccccc1	1589467220	BBVKKYUFTUJTRA-JQWIXIFHSA-N	319.810	1.997	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cscc1-c1nn[nH]n1	1589184317	UBMNRNGRVVQJGM-UHFFFAOYSA-N	310.339	1.098	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cncnc2)C1	1842485445	UQYSHSDPXSCCPO-LBPRGKRZSA-N	322.796	1.311	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)[C@H]2CC2(F)F)C1	1843852147	GAKJBJQOQKNCAR-HTQZYQBOSA-N	310.703	1.379	50	20	DDGD	
N#Cc1cccc(NNC(=O)Nc2ccc(-c3nn[nH]n3)cn2)c1	1592700464	WNWNORTUDSEMNN-UHFFFAOYSA-N	321.304	1.282	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNc2ccc(C(=O)O)cn2)c1	1598992565	ZWXPZHUHAUYTHB-UHFFFAOYSA-N	315.285	1.323	50	20	DDGD	
CC(=O)C(=O)N1CC2(CCCN2C(=O)[C@@](C)(Cl)CCl)C1	1845169870	LWYRIQSRKGPBBV-LBPRGKRZSA-N	321.204	1.015	50	20	DDGD	
CN(C)c1ncccc1C(=O)NNc1cccc(C(=O)O)c1	1598358682	IPKKHRIEJZASIV-UHFFFAOYSA-N	300.318	1.603	50	20	DDGD	
N#CCC(=O)NNc1ccc(-c2nn[nH]n2)cc1C(F)(F)F	1592671952	TZJQFDFDBVVUQV-UHFFFAOYSA-N	311.227	1.242	50	20	DDGD	
O=C(O)CC[C@H]1C[C@H](C(=O)NNc2ncccc2Cl)CO1	1595005573	OKCMLHNEXIYYCC-IUCAKERBSA-N	313.741	1.448	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2cccnc2)c1	17059235	FNEFCQZYJSVYDS-UHFFFAOYSA-N	301.302	1.174	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H]2CCCCO2)c1	161340234	CWDAOBPMIRDUSF-AWEZNQCLSA-N	306.362	1.399	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cccnc1N1CCCC1	162216356	JCCBRUGXXPTERJ-UHFFFAOYSA-N	313.361	1.095	50	20	DDGD	
C[C@@H]1CCC[C@H](C(=O)NNC(=O)COc2ccc(C#N)cc2)C1	158377270	UBJSYPDLBRLXJW-OCCSQVGLSA-N	315.373	1.911	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)c2cccc(OCC(N)=O)c2)c1	158948873	KDBLDDMVXMDXAG-UHFFFAOYSA-N	313.357	1.924	50	20	DDGD	
CC(C)NC(=O)c1ccc(C(=O)NNC(=O)C(C)(C)C)cc1	160688245	ONSRICGHRJBSMZ-UHFFFAOYSA-N	305.378	1.632	50	20	DDGD	
CC(C)C(=O)N1CCC(C(=O)NNc2ccc(C#N)cc2)CC1	155568651	JAKCYQRLJUHLCA-UHFFFAOYSA-N	314.389	1.896	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CS(=O)(=O)C(C)(C)C)c1	159492344	LOGPEYVGZWUSGX-UHFFFAOYSA-N	318.370	1.491	50	20	DDGD	
CN(C1CC(O)C1)S(=O)(=O)c1ccc(CCCl)cc1	759093015	FYAFSECHTACPDK-UHFFFAOYSA-N	303.811	1.612	50	20	DDGD	
C[C@@H](OCC1CC1)C(=O)NNC(=O)c1cccc2ncccc12	106813796	OKZMXDYODQQFEW-LLVKDONJSA-N	313.357	1.811	50	20	DDGD	
Cc1ccc(F)cc1S(=O)(=O)NNC(=O)Cc1cccnc1	103426067	TXQMXEMYDVIJBF-UHFFFAOYSA-N	323.349	1.081	50	20	DDGD	
CSCCNC(=O)NNC(=O)Cn1ccc2ccccc21	105223922	RBQJPPRWWULEJW-UHFFFAOYSA-N	306.391	1.335	50	20	DDGD	
COc1ncccc1C(=O)NNC(=O)Cn1ccc2ccccc21	104630911	VUZXKKYLPJUSMX-UHFFFAOYSA-N	324.340	1.506	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)CCc1ccccc1)N(C)C1CC1	105264057	VIVGASNYBNLVRI-ZDUSSCGKSA-N	318.421	1.432	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@@H]1C[C@@H]1C1CC1	176456380	CNWMEBSJDRJJLV-CHWSQXEVSA-N	318.373	1.658	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)nc(C)n1	172373670	PQHXGWMLAKRFMM-UHFFFAOYSA-N	320.284	1.480	50	20	DDGD	
Cn1cc(/C=C/C(=O)NNC(=O)CCOc2ccccc2)cn1	61478997	BTJNABNCPUTOBL-BQYQJAHWSA-N	314.345	1.050	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1nc(C(C)(C)C)cs1	66703928	USACKIMOMSESCV-UHFFFAOYSA-N	314.411	1.308	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)COc1ccccc1C#N)C1CC1	171168502	QNIBMUMLBKKEIO-JTQLQIEISA-N	318.402	1.231	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@@H]1CSc2ccccc21	118305573	GHDLZQTWSYNINB-LLVKDONJSA-N	301.371	1.676	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)ncn1	172279881	MERVEBRLTZODJQ-QMTHXVAHSA-N	300.318	1.457	50	20	DDGD	
CC1(C)CC(=O)C(=CNNC(=O)Cc2ccc(F)cc2)C(=O)C1	60865034	UENYOMALDZDXME-UHFFFAOYSA-N	318.348	1.831	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1cnc(Cl)c(C#N)c1	1261504910	UGJDXDDIKIPREZ-WUXMJOGZSA-N	304.737	1.666	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)CCCc2ccccc2)CCO1	69340715	PCVANUUEHYIZPK-HNNXBMFYSA-N	319.405	1.861	50	20	DDGD	
CCCC(=O)N1CCCC[C@H]1C(=O)NNc1ncc(F)cn1	122697325	BNXLMUMOYSZFOR-NSHDSACASA-N	309.345	1.240	50	20	DDGD	
COCC(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1	32525645	WGCXZVBKUNKSKN-UHFFFAOYSA-N	308.334	1.962	50	20	DDGD	
CC(C)CCCNC(=O)NNC(=O)COc1ccc(C#N)cc1	79250645	COQXPRXDPZUYPP-UHFFFAOYSA-N	318.377	1.704	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cnc(-c2ccccc2)nc1	122579286	HIKRSYQBSOEQQW-UHFFFAOYSA-N	310.292	1.830	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cccnc1-c1ccccc1	183379807	FHKPZRLJXWJZME-UHFFFAOYSA-N	314.345	1.938	50	20	DDGD	
CN(CC(=O)NNc1cc(F)c(F)c(F)c1)[C@@H]1CCSC1	127016547	PUMNMKPCCHTZMT-SECBINFHSA-N	319.352	1.984	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(F)ccc1C	77163634	SJBSATIEQLOAQE-UHFFFAOYSA-N	309.341	1.200	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1ccc(C#N)cc1)[C@H]1CCCO1	123972611	MLLGZJNIXRJWCV-UONOGXRCSA-N	316.361	1.460	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccc3[nH]nnc3c2)cc1	73314673	DLFXSFGMXDDKNS-UHFFFAOYSA-N	324.344	1.139	50	20	DDGD	
N#Cc1ccc(NNC(=O)CSc2nnc3ccccn23)cc1	184092852	BEWKSSXABXCIFY-UHFFFAOYSA-N	324.369	1.836	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)Cc2ccc(F)cc2)ccn1	183437009	HRRKDRRYIJIDFM-UHFFFAOYSA-N	302.309	1.925	50	20	DDGD	
COc1cccc(NNC(=O)c2c[nH]c(=O)c3ccccc23)n1	189376051	TVKDBJCUVHWCOC-UHFFFAOYSA-N	310.313	1.689	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C	131940214	MWCOGAPCKJPQOA-NSHDSACASA-N	312.414	1.152	50	20	DDGD	
CCCNC(=O)NNC(=O)CSCc1c(C)noc1C	49279946	ROZDNSDMKQLGBH-UHFFFAOYSA-N	300.384	1.265	50	20	DDGD	
CC(C)C[C@@H](C)NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	133390067	HNXMAAHFORTDND-SNVBAGLBSA-N	308.338	1.973	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)CCc2c[nH]cn2)c1	194997657	RCFPNNUAYXGUTD-UHFFFAOYSA-N	316.361	1.186	50	20	DDGD	
O=C(NNC(=O)c1ccc(C2CCC2)cc1)C(=O)N1CCCC1	190798559	YTKJWTHGFLBUFK-UHFFFAOYSA-N	315.373	1.338	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2ccc3ccn(C)c3c2)c1	190043592	WLFGMKIGHMQQKF-UHFFFAOYSA-N	323.356	1.964	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Nc1ncccc1C	145946435	BSZPNFZBYRIBAJ-UHFFFAOYSA-N	314.345	1.794	50	20	DDGD	
O=C(c1cccc(CCl)c1)N1CCCS(=O)(=O)CC1	236032444	JGSAPTKJUUCWPL-UHFFFAOYSA-N	301.795	1.686	50	20	DDGD	
CCOCCC(=O)NNC(=O)[C@@H](C)Oc1ccc(OCC)cc1	263961874	KNYDEOPOUIJKBO-GFCCVEGCSA-N	324.377	1.427	50	20	DDGD	
CCCn1nc(C)c(C(=O)NNC(=O)NC2CCCC2)c1C	268455872	NDGAELIFMDLPLS-UHFFFAOYSA-N	307.398	1.797	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1ccc(Cl)cc1	267182559	XRXZULHNTXRQAN-SECBINFHSA-N	315.757	1.544	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1CCc2nccn2C1	368862315	GGILMSNRJXWNLV-SNVBAGLBSA-N	301.306	1.497	50	20	DDGD	
COc1ccc(NNC(=O)C[C@H]2CCCC(=O)N2)c([N+](=O)[O-])c1	367703926	NTXLQGYLZNLLNL-SECBINFHSA-N	322.321	1.105	50	20	DDGD	
C[C@H]1Oc2ccccc2[C@@H]1NC(=O)NNC(=O)c1ccc[nH]1	365814738	SJCOAGPBYRJANA-NOZJJQNGSA-N	300.318	1.481	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H]2CCCC2(C)C)c1O	274998027	ZWJAJOWHEHXFSK-NSHDSACASA-N	306.362	1.988	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](C(=O)OCC)c1cccc(O)c1	270224718	GDIRVHSWHIJWQR-IEZBTEQYSA-N	318.329	1.557	50	20	DDGD	
CC(C)(C)c1ccc(NC(=O)C(=O)NNC(=O)C2CC2)cc1	274093522	UNHREWWFQDEFIL-UHFFFAOYSA-N	303.362	1.480	50	20	DDGD	
CCn1nc(NC(=O)NNc2nccc(OC)n2)cc1C1CC1	274848239	QLUJPDPCROGSSO-UHFFFAOYSA-N	317.353	1.728	50	20	DDGD	
CC(C)c1cc(NC(=O)C(=O)NN(C)c2ccccc2)no1	275712012	QHJLUOVXWKYOMU-UHFFFAOYSA-N	302.334	1.904	50	20	DDGD	
C[C@@H]1C[C@@H](CCNC(=O)NNC(=O)Cc2ccncc2)CCO1	273065922	INGMQJFDHPOJRV-OCCSQVGLSA-N	320.393	1.160	50	20	DDGD	
CCN(C(=O)[C@@H](Br)C(C)(C)C)[C@@H]1CC(=O)NC1=O	274506850	UFTOPNJYLJFJQV-VXNVDRBHSA-N	319.199	1.060	50	20	DDGD	
CCN(C(=O)[C@H](Br)C(C)(C)C)[C@@H]1CC(=O)NC1=O	274506843	UFTOPNJYLJFJQV-APPZFPTMSA-N	319.199	1.060	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1csc2ccccc12	286512185	RXLJNHREDLHHJH-UHFFFAOYSA-N	313.404	1.756	50	20	DDGD	
Cc1cccc(C2(C(=O)NNC(=O)N3CCN(C)CC3)CC2)c1	287761859	JECIBONZCWBXFM-UHFFFAOYSA-N	316.405	1.015	50	20	DDGD	
C[C@@H]1COCC[C@@H]1CNC(=O)NNC(=O)Cc1ccccc1F	287040948	SXRXDPOEAWRUEE-DGCLKSJQSA-N	323.368	1.371	50	20	DDGD	
CO[C@H]1CCC[C@@H](CC(=O)NNC(=O)Cn2nc(C)cc2C)C1	280364440	UVTXIIFROARGFT-KGLIPLIRSA-N	322.409	1.243	50	20	DDGD	
C=CCNC(=S)NNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1	281232880	NBEFUFSDTJQGLO-UHFFFAOYSA-N	322.390	1.554	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1c(Br)c(C)nn1C	280386371	FESVZQQTOCQLEU-YVMONPNESA-N	318.196	1.790	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21	290429566	GYWLLNISMSOGQD-SGMGOOAPSA-N	319.361	1.199	50	20	DDGD	
CC(C)c1nn(C)cc1C(=O)NNC(=O)c1ccccc1F	298868994	UXZZCOFBYFXDQA-UHFFFAOYSA-N	304.325	1.757	50	20	DDGD	
COCCOc1ccccc1C(=O)NNC(=O)[C@H]1CCCCO1	295305093	FJKWMNXHOXMQFK-CQSZACIVSA-N	322.361	1.042	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2cnccc2C#N)c1	805156149	JOUPIBCTAFVAND-UHFFFAOYSA-N	324.340	1.410	50	20	DDGD	
O=C(CNc1ccccc1[N+](=O)[O-])NNc1ncccc1F	804215540	UUNKFXTZXXYUEH-UHFFFAOYSA-N	305.269	1.684	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42	802026446	RJEFWADQLYTBNC-DJANDWOJSA-N	324.384	1.050	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1nnc2ccccc2n1	805374403	OSUYREFXNSLMHO-UHFFFAOYSA-N	324.300	1.998	50	20	DDGD	
CCc1cc(Br)ccc1NNC(=O)c1cn(C)nn1	290323516	DDYCIPCVDOMJIO-UHFFFAOYSA-N	324.182	1.897	50	20	DDGD	
Nc1c(C(=O)NNc2ncccc2F)cc(F)cc1[N+](=O)[O-]	804216191	FEVLAGSVFQQRII-UHFFFAOYSA-N	309.232	1.607	50	20	DDGD	
O=C(NNc1ncccc1F)C(=O)Nc1cccc(Cl)c1	807301526	BOYVNTBPQOMRLA-UHFFFAOYSA-N	308.700	1.956	50	20	DDGD	
O=C(NNc1ncccc1F)c1c[nH]c(C(=O)N2CCCC2)c1	804214944	WZZBEQYFDMOWHU-UHFFFAOYSA-N	317.324	1.542	50	20	DDGD	
Cc1nn(C(C)(C)C)cc1C(=O)NNC(=O)[C@@H]1CCCCO1	295667547	WQFDRZZOLNYIBE-LBPRGKRZSA-N	308.382	1.277	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)CC2CC2)cnc1C(F)(F)F	294210506	PYKJLQUYZPSICU-UHFFFAOYSA-N	312.251	1.533	50	20	DDGD	
CCOc1ccc(NNC(=O)COc2c(C)nn(C)c2C)cc1	294508737	YFWSRDZDXWAWRJ-UHFFFAOYSA-N	318.377	1.958	50	20	DDGD	
C[C@H](CC(=O)NNc1ncccc1F)NC(=O)c1ccccc1	804211583	QXXGEBVAWIPXLN-LLVKDONJSA-N	316.336	1.872	50	20	DDGD	
CCC[C@H](CNC(=O)NNC(=O)COCc1ccccc1)OC	296528754	UMUOYHXUNXHOJL-CQSZACIVSA-N	323.393	1.349	50	20	DDGD	
CC(C)c1cnc(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)s1	298327998	FIOCWCJLKRKCKU-IUCAKERBSA-N	312.395	1.987	50	20	DDGD	
O=C(CCc1cccc(F)c1F)NNC(=O)[C@H]1CCCCO1	295625614	RYFYDOZGUCIXGK-GFCCVEGCSA-N	312.316	1.614	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2ccccc2O)n(C)c1C	800805570	SSIVVNYCWUERHS-UHFFFAOYSA-N	315.329	1.590	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c2ccccc21	293797543	COLRMCKUWASHPP-NHYWBVRUSA-N	315.373	1.990	50	20	DDGD	
CCCn1ncc(C(=O)NNc2ncncc2F)c1C1CC1	293885155	DSACHZSESYCTJT-UHFFFAOYSA-N	304.329	1.857	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@H]1C[C@@H]1c1cccc(F)c1	296402418	QSEWESJLSJUKCD-RDBSUJKOSA-N	321.352	1.581	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)[C@H](CC)c1ccccc1)OC	290837410	BXOVQRIHDKUGMU-ZIAGYGMSSA-N	307.394	1.936	50	20	DDGD	
CC[C@H]1CC[C@@H](C)N1CC(=O)NNC(=O)Cc1ccccc1C	299541561	FMSOVFRMDHADTQ-ZBFHGGJFSA-N	317.433	1.948	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C(=O)NNc2ccncn2)c1C	295355850	CJZRQVVWIFZSRM-UHFFFAOYSA-N	303.322	1.355	50	20	DDGD	
CCOc1ccc(NNC(=O)COCc2nnc(C)s2)cc1	294418316	ROVRGCPJMQZJHB-UHFFFAOYSA-N	322.390	1.905	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cccc(C#N)n2)cc1C	809933644	OSNUOHROLIVJCW-UHFFFAOYSA-N	324.340	1.410	50	20	DDGD	
COc1ccc(CC(=O)NNc2ccc(F)cc2OC)nc1	816337540	YKJFRCZWCGLZKA-UHFFFAOYSA-N	305.309	1.924	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)Oc1ccc(F)cc1)c1cc(CO)on1	812225218	UZGVPEARFNOEGQ-SNVBAGLBSA-N	321.308	1.614	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNc2ncncc2F)cc1C	815765861	GHDSHPDGODYEHH-UHFFFAOYSA-N	317.324	1.568	50	20	DDGD	
O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NNc1ccccc1F	815850860	GFROGXDWYLKAFS-PHIMTYICSA-N	317.320	1.220	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCc1ccc(C)s1	811255706	XOAHVQVTZJFKQF-SNVBAGLBSA-N	312.391	1.478	50	20	DDGD	
Cn1nncc1NNC(=O)CSCc1ccc(C#N)cc1	816768705	CEYRYYOMRLGBGF-UHFFFAOYSA-N	302.363	1.063	50	20	DDGD	
CC(=O)N[C@H](CC(=O)NN(C)C1CC1)c1c(F)cccc1F	819646946	FZOOYSFENYQODR-CYBMUJFWSA-N	311.332	1.658	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NN=Cc2c[nH]c(C(=O)O)c2)c1	814718852	NTJIJANGXIMLNB-UHFFFAOYSA-N	315.329	1.859	50	20	DDGD	
C[C@@](C#N)(CC(=O)O)C(=O)NNc1cc(F)c(F)cc1F	819848118	QDCVODBNAFGKMY-LBPRGKRZSA-N	301.224	1.552	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(C)C[C@@]1(O)CCc2ccccc21	491051810	UFEZTTOIOBVSLG-WKOYGUFESA-N	300.358	1.723	50	20	DDGD	
C[C@H](CCS(C)(=O)=O)NC(=O)/C(C#N)=C/c1ccc(O)cc1	491082231	IICSTQVPIPCQOU-VSXLWIIGSA-N	322.386	1.239	50	20	DDGD	
Cc1c(NNC(=O)NC[C@@H]2CCCOC2)cccc1[N+](=O)[O-]	728129806	NLHLGMGRNRWHJQ-NSHDSACASA-N	308.338	1.956	50	20	DDGD	
CCN(CC)[C@H]1CCN(C(=O)/C(C#N)=C/c2cnn(C)c2)C1	491012770	SBZMLCIVSFCSMH-NHXNDTTKSA-N	301.394	1.270	50	20	DDGD	
CC(C)N(CCC(=O)NN(C)C(N)=O)C(=O)OC(C)(C)C	494642813	ZMUUBPATWPSWQK-UHFFFAOYSA-N	302.375	1.064	50	20	DDGD	
CC[C@@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)N(CC)CC	825039848	XGIQDSYPZIKSDN-ZDUSSCGKSA-N	317.397	1.430	50	20	DDGD	
O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NNc1ccc(F)cc1	729618663	KZJYKIHNOXVKQK-ZIAGYGMSSA-N	308.357	1.315	50	20	DDGD	
O=C(COC1CCCC1)NNC(=O)Cn1ccc2ccccc21	729450799	SSKCLKHDCZTOQM-UHFFFAOYSA-N	315.373	1.748	50	20	DDGD	
CC(C)N1CC[C@H](N(C)C(=O)/C(C#N)=C/c2cnn(C)c2)C1	491008540	IMCKBWNHDMUKFK-LULHVWEPSA-N	301.394	1.268	50	20	DDGD	
C[S@](=O)C1(CNC(=O)/C(C#N)=C/c2ccc(O)cc2)CCC1	491176747	RNDKSNRTPZDXQU-XAYKGCCJSA-N	318.398	1.717	50	20	DDGD	
CCn1cnc(C(=O)NNC(=O)C(C)(C)c2ccccc2)c1	826926878	POBCLQBNYGEXQT-UHFFFAOYSA-N	300.362	1.642	50	20	DDGD	
COC(=O)[C@H]1C[C@H](NC(=O)NNc2cc(F)c(F)cc2F)C1	824176730	HNCRDWJHLTXZPU-LJGSYFOKSA-N	317.267	1.682	50	20	DDGD	
Cc1cccn2cc(C(=O)NNC(=O)C3CCOCC3)cc12	829557884	SSIHJILDKVDVAW-UHFFFAOYSA-N	301.346	1.435	50	20	DDGD	
CON(CC(=O)NNC(=O)C(C)C)Cc1ccc(Cl)cc1	829979366	BPMUGGBNPOJCJI-UHFFFAOYSA-N	313.785	1.507	50	20	DDGD	
Cc1cccc(CC(=O)NNC(=O)c2ccc3c(c2)OCO3)c1	726765142	FTUWSQGOBMRLKH-UHFFFAOYSA-N	312.325	1.727	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CC[C@@H](OCCN2CCCC2)C1	490755460	VCWYRNVBRAFHRE-SEWDUPMJSA-N	307.394	1.144	50	20	DDGD	
CN1CCCC[C@H](C(=O)NNc2ccc(C#N)c(Cl)c2)C1=O	821887831	MTUAUBJUTFAJLY-GFCCVEGCSA-N	320.780	1.913	50	20	DDGD	
Cc1ccnc(NNC(=O)CNc2ccc(-c3nn[nH]n3)cc2)c1	822373913	FYINLSRHALUMRD-UHFFFAOYSA-N	324.348	1.125	50	20	DDGD	
O=C1CC[C@@H]2[C@@H]1[C@@H]2C(=O)NNc1ccnc(Br)c1	907450537	WYSBAKGTLMOETG-PPKCKEKNSA-N	310.151	1.512	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2cc(Cl)c3c(c2)OCCO3)cn1	735412326	WIPCSWVQEBUYEF-UHFFFAOYSA-N	320.736	1.609	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC[C@@H]1c1ccc(O)cc1	828153354	KXZKZVXROZRKGC-CQSZACIVSA-N	305.378	1.333	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(F)nc2)c1	733885185	UDTIAHVIKXWHDE-UHFFFAOYSA-N	317.320	1.678	50	20	DDGD	
CC(C)[C@@H](NCc1ccccc1B(O)O)[C@@H](O)c1ccccc1	585038843	LMDZAOIBGJXZQS-MSOLQXFVSA-N	313.206	1.214	50	20	DDGD	
C=CCNC(=S)NNC(=O)/C=C/c1ccc2ccccc2n1	490607954	UVZCPICJUCSZDQ-MDZDMXLPSA-N	312.398	1.929	50	20	DDGD	
CCCCCCO[C@@H](C)C(=O)NNc1ncnc2[nH]cnc12	839684885	CPIAAOPZUBCOII-JTQLQIEISA-N	306.370	1.781	50	20	DDGD	
CC(C)CN1C[C@@H](C(=O)NNc2c(F)cccc2F)CC1=O	735700099	DTRJNYWOFOCOMS-JTQLQIEISA-N	311.332	1.912	50	20	DDGD	
CCc1noc(CCCC(=O)NN(C)C(=O)OC(C)(C)C)n1	838366580	HDROGLYCCKKEPG-UHFFFAOYSA-N	312.370	1.853	50	20	DDGD	
C[C@]1(C(=O)NCc2cccc(C(N)=O)c2)C[C@@H]1Br	906020779	FHOMJYRUZOMQPG-GWCFXTLKSA-N	311.179	1.575	50	20	DDGD	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)NNc1cnccn1	734244234	YLBWQYAFIDBTDW-UHFFFAOYSA-N	312.333	1.142	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1CNC(=O)NNC(=O)Cn1nc(C)cc1C	838651256	WNZSSMPSBKAUBF-ZIAGYGMSSA-N	321.425	1.657	50	20	DDGD	
C[C@@H](Oc1cccnc1)C(=O)NNc1ccccc1C(=O)O	833543416	SIBVMENVBZVPGI-SNVBAGLBSA-N	301.302	1.690	50	20	DDGD	
CCN(C(=O)c1ccc(B(O)O)cc1)[C@@H]1CCCc2cccnc21	584979473	UUARQFMAEOQBGI-MRXNPFEDSA-N	324.189	1.301	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(C)c1C	734296561	NEVPWZPEWMILMR-CYBMUJFWSA-N	308.403	1.578	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc2nc(O)n(C(C)C)c2c1	831858721	SDNPHZJIMANMBI-UHFFFAOYSA-N	319.365	1.629	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)Nc1ccc2c(c1)OCO2)OC	836463508	BPJKKNTVLOWHFL-JTQLQIEISA-N	324.337	1.176	50	20	DDGD	
CC(C)OCc1ccc(CNCc2ccccc2B(O)O)cc1	585017577	ZVQPPMJALZCBHC-UHFFFAOYSA-N	313.206	1.581	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=S)N[C@@H]1CCCC[C@@H]1C	734025710	CISFGGGNOYSMQK-QJPTWQEYSA-N	317.455	1.112	50	20	DDGD	
COc1ccnc(C(=O)NNC(=O)c2ccc(Cl)cc2O)c1	734863023	PJIQKQONPMLHAY-UHFFFAOYSA-N	321.720	1.524	50	20	DDGD	
COc1ccc(C[C@@H](C)CNCc2cccc(B(O)O)c2)cc1	585032361	UFWYLSCPVWMATJ-CQSZACIVSA-N	313.206	1.343	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)c1cc(-c2ccco2)[nH]n1	912986336	JEPBQKIEQGJSBK-UHFFFAOYSA-N	314.276	1.884	50	20	DDGD	
CC1=NO[C@@H](CNS(=O)(=O)c2ccc(CCl)cc2)C1	916073091	MSBRILSTUVBIOG-LLVKDONJSA-N	302.783	1.869	50	20	DDGD	
CCCc1c(C(=O)NNc2nc[nH]n2)cnn1C1CCCC1	839769980	QIYUEAPQAWSFPL-UHFFFAOYSA-N	303.370	1.826	50	20	DDGD	
C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NNC(=O)C1CCC1	732141543	SHFRGMAVCOCRCW-NSHDSACASA-N	302.374	1.890	50	20	DDGD	
C[C@H](C1CC1)n1cc(NC(=O)NNC(=O)[C@H]2CCCCO2)cn1	836546856	CXHKLIVRMLKHTN-ZWNOBZJWSA-N	321.381	1.576	50	20	DDGD	
Cn1nc2c(c1C(=O)NC[C@@]1(C)C[C@H]1Br)CCC2	912827385	NHIRTQJRCWJKKW-ZWNOBZJWSA-N	312.211	1.812	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2c(O)cccc2Cl)cc1	747214659	QDNKCDAVCDNGHK-UHFFFAOYSA-N	315.716	1.992	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1ccc(OC(C)C)c2ccccc12	915185606	GSIBHLIFCKHXGS-UHFFFAOYSA-N	322.386	1.956	50	20	DDGD	
C=C[C@@H]1OCCC[C@H]1NC(=O)NNC(=O)c1ccccc1OC	836291678	HFFJRHDGOSUTPR-OLZOCXBDSA-N	319.361	1.373	50	20	DDGD	
O=C(NNS(=O)(=O)c1cccc2c1CCCC2)C1CCC1	748642982	PXSMOHOMXRULFI-UHFFFAOYSA-N	308.403	1.675	50	20	DDGD	
Cc1nnc(COC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)o1	913287236	YBAHXFDQMUXXGI-QCDXTXTGSA-N	311.301	1.547	50	20	DDGD	
O=C(NC[C@@H]1CCCCN1)NNC(=O)c1c[nH]c2ccccc12	841921808	LOGAYDJVOXEUQD-NSHDSACASA-N	315.377	1.254	50	20	DDGD	
CO[C@@]1(C=NNC(=O)Nc2ccc(N(C)C)cc2)CCOC1	841626715	VREQFWMRDCBCRX-OAHLLOKOSA-N	306.366	1.665	50	20	DDGD	
CC(C)(C)N1CC[C@H](NC(=O)[C@@]2(C)C[C@H]2Br)C1=O	911490745	HGZNVFDPZXKAOW-RWEMILLDSA-N	317.227	1.676	50	20	DDGD	
O=C(NN=Cc1cc2ccccc2nc1Cl)C(=O)NC1CC1	744824157	QPEKGCQNGHGHCP-UHFFFAOYSA-N	316.748	1.617	50	20	DDGD	
Cc1nc(C=NNC(=O)COc2ccccc2C#N)cs1	916324255	UAXBESJNJURGSH-UHFFFAOYSA-N	300.343	1.852	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@H]2CCC(=O)[C@H](C)C2)cc1	846377327	BBLYQAXZNQTESM-YPMHNXCESA-N	318.373	1.851	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cccc(Oc2cnccn2)c1	910162527	HACGZQQNAAFWBM-NSHDSACASA-N	302.334	1.226	50	20	DDGD	
COc1c(Cl)cccc1NC(=O)NNC(=O)CCCN	841076168	BCGHDMVHEYLMBW-UHFFFAOYSA-N	300.746	1.240	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)/C(C#N)=C/c1ccc(F)cc1	843974037	MQQLCVFEVNCYRO-HWLFMMOHSA-N	317.320	1.305	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)NC2CC2)c1	849203756	JCTGZBPLZTYFPR-JYVXZMADSA-N	314.341	1.812	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)COc1ccc(C)cc1)C(C)C	745848850	JUATVRYMPQHNLS-AWEZNQCLSA-N	323.393	1.375	50	20	DDGD	
Cc1cccnc1CC(=NNC(=O)CN(C)C)C(F)(F)F	746370855	RBPNKLRWSBLJDN-UHFFFAOYSA-N	302.300	1.529	50	20	DDGD	
O=C(NN=C1CCN(c2cnccn2)CC1)NC1CCCC1	743531353	RUZMEVYYLNPQCR-UHFFFAOYSA-N	302.382	1.675	50	20	DDGD	
C[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)CC1CCCC1	749952676	YFIBOENAYNVUHF-GFCCVEGCSA-N	317.389	1.533	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)/C=C/c1ccccc1OC(F)(F)F	910169897	HFCDQZBFASZMOA-JARNTUPDSA-N	318.295	1.942	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNC(=O)C2CCC2)C12CCCC2	743701274	FANSQDNWGHIAKX-OLZOCXBDSA-N	309.410	1.855	50	20	DDGD	
O=C(CCCOCc1ccccc1)NNC(=O)c1ccncc1	747696810	JJNREZPZYFOSJB-UHFFFAOYSA-N	313.357	1.840	50	20	DDGD	
COCCCNC(=O)NNC(=O)COC[C@H](C)c1ccccc1	845299097	VCJZLDNVDSSFDS-ZDUSSCGKSA-N	323.393	1.174	50	20	DDGD	
O=C(CCc1cccc(F)c1F)NNC(=O)CC(F)(F)F	749929247	NVXIHNDBNICVIV-UHFFFAOYSA-N	310.222	1.997	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	843663171	VUBWTEMISDEYHM-FZMZJTMJSA-N	320.389	1.545	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc([N+](=O)[O-])c1)[C@@H]1CCCNC1	841929836	XIVIDRACHSDFSY-GHMZBOCLSA-N	307.354	1.609	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)NC[C@@H]1CCN1C	925425381	FHJRRHYPTHNPNB-VIFPVBQESA-N	312.805	1.584	50	20	DDGD	
C[C@@]1(CNC(=O)c2cnc3nccnc3c2)C[C@@H]1Br	857392646	BFKHPJCLQXJOJF-GWCFXTLKSA-N	321.178	1.928	50	20	DDGD	
C[C@H]1CO[C@H](C)CN1C(=O)NC[C@]1(C)C[C@@H]1Br	856951957	AEEWLRYXLLQJQW-WYFGTUCQSA-N	305.216	1.979	50	20	DDGD	
CCS(=O)(=O)N[C@@H](C)C(=O)NNc1ccc(C(C)C)cc1	854885101	YJVUQLVIKPSJNP-NSHDSACASA-N	313.423	1.581	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCCCN2C)c1C	855625678	ZUGZBZVETRAZFK-CQSZACIVSA-N	305.378	1.709	50	20	DDGD	
CC[C@H]1CN([C@@H](CC)C(=O)NNc2ccc(C#N)cn2)CCO1	924815755	RAFNKLLITSRDKF-KBPBESRZSA-N	317.393	1.286	50	20	DDGD	
CSCCC=NNC(=O)c1nn(C)c(=O)c2ccccc12	755542255	OSVVKWOGSQZYKW-UHFFFAOYSA-N	304.375	1.402	50	20	DDGD	
O=C(NCC(F)F)C(=O)NNc1cccc(C(F)(F)F)c1	753986004	WNUHJSDRNUWMAU-UHFFFAOYSA-N	311.210	1.530	50	20	DDGD	
CCOCCn1cc(C(=O)NNc2cc(Cl)nc(C)n2)cn1	857136973	VYBIJTZHPKDEGC-UHFFFAOYSA-N	324.772	1.428	50	20	DDGD	
COc1cccc(C(=O)NNc2nc(O)c3ccccc3n2)n1	758308910	HTEXVPBFIQMOGR-UHFFFAOYSA-N	311.301	1.496	50	20	DDGD	
COC[C@@H]1CN(C(=O)NC[C@]2(C)C[C@H]2Br)CCO1	856898983	JRVQWSRCFRLCLG-UMNHJUIQSA-N	321.215	1.217	50	20	DDGD	
CCNc1ncc(C(=O)NNC(=O)NCc2ccco2)s1	858782250	NHIAJECCYBWYCM-UHFFFAOYSA-N	309.351	1.312	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCc2ncc[nH]2)c1C	855624624	CVHHUWWFEBHLHY-UHFFFAOYSA-N	302.334	1.581	50	20	DDGD	
N#Cc1ccc(Br)c(NNC(=O)[C@H](O)C2CC2)c1	855618101	VTECUNFGYILSHC-LLVKDONJSA-N	310.151	1.535	50	20	DDGD	
CCOC(=O)C1(C(=O)NC[C@]2(C)C[C@@H]2Br)CC1	857690457	UBUVPGLIOFWDQS-KWQFWETISA-N	304.184	1.619	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)CCC(F)(F)F	854282364	INDUXTYPIXJPHB-UHFFFAOYSA-N	301.334	1.203	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](C)Cc1cnc2ccccc2n1	854921829	OVGPQLXIOJFOMP-SNVBAGLBSA-N	317.418	1.276	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)CCCc1ccccn1)C1CC1	855100478	CTPWUPZHROAMMH-LLVKDONJSA-N	306.435	1.698	50	20	DDGD	
O=C(NNC(=O)[C@@]1(C2CCCC2)CCNC1=O)c1ccccc1	858101200	DALPQZKNJWXHTF-QGZVFWFLSA-N	315.373	1.144	50	20	DDGD	
CNC(=S)N(C)NC(=O)Cc1ccc(NC(=O)C2CC2)cc1	854924963	YLCJMZCPVLPUHZ-UHFFFAOYSA-N	320.418	1.045	50	20	DDGD	
CCN(CCNC(=O)NNc1cccnn1)CCC(F)(F)F	755853303	RORDZKDCYRJPHF-UHFFFAOYSA-N	320.319	1.377	50	20	DDGD	
O=C(NN=C[C@@H]1C[C@@H]1c1ccccc1)N[C@@H]1CCS(=O)(=O)C1	755664252	JOFPCBCXTBVSIE-BFHYXJOUSA-N	321.402	1.262	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)c1n[nH]c2c1CCCCC2	857357894	HPKUIWLTUIHZOD-UHFFFAOYSA-N	306.757	1.879	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@]1(C(=O)OC(C)(C)C)CC1(C)C	854929043	WXEWKKSXWISQHA-AWEZNQCLSA-N	315.439	1.212	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc([N+](=O)[O-])cc2)nc1	759737804	GWUUFEJFSSQNGZ-UHFFFAOYSA-N	316.273	1.533	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)NC1CCCC1)OCO2	758873962	MJRNTEASWFESIT-UHFFFAOYSA-N	305.334	2.000	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C1COc2ccc(F)cc21	750937135	RIPSKJOERWCDJN-UHFFFAOYSA-N	317.276	1.061	50	20	DDGD	
CCc1ccc(NC(=S)NNC(=O)COCCOC)cc1	865244194	GSZNOIIRBABKBF-UHFFFAOYSA-N	311.407	1.230	50	20	DDGD	
C/C(=C\C1CCC(C)CC1)C(=O)NNC(=O)[C@H]1CCC(=O)N1	869386071	WMPVIQJSCOARPZ-GPKLMQJJSA-N	307.394	1.185	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cc(CO)c(C)o2)cc1	864490519	IHVDSMZPOVKDGM-UHFFFAOYSA-N	302.330	1.718	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)NCCCCC#N	765753445	YROFNJQQDHVYKR-UHFFFAOYSA-N	310.379	1.410	50	20	DDGD	
O=C(Cc1csc2nccn12)NNc1ccc([N+](=O)[O-])cc1	768244089	LMCPNWZJXQGSBR-UHFFFAOYSA-N	317.330	1.990	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(C(=O)NC)cc1OC	861338256	LUPZJPXMSRTXOG-VIFPVBQESA-N	322.365	1.254	50	20	DDGD	
OB(O)c1ccccc1CNc1ccccc1Br	864022143	MOOFAVRIUCZJJR-UHFFFAOYSA-N	305.968	1.741	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)C[C@@H]1CCOC1	761622699	VZDZUDTZESVQQM-NSHDSACASA-N	324.402	1.361	50	20	DDGD	
Cc1ccc2nc(C(=O)NNC(=S)N[C@@H](C)C3CC3)cn2c1	862150068	GDUUQIHWBHQNNT-JTQLQIEISA-N	317.418	1.550	50	20	DDGD	
Cc1ccc(CO[C@H](C)C(=O)NNc2ncncc2F)cc1	861817520	NTTDYTSEWZTEGR-LLVKDONJSA-N	304.325	1.973	50	20	DDGD	
O=C(NCCc1ccncc1)NNC(=O)c1ccccc1F	762666481	IXMJELSHFXESMC-UHFFFAOYSA-N	302.309	1.407	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1cnn2ncccc12	765466082	NJQZXQWKDPUOJK-UHFFFAOYSA-N	323.238	1.295	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NNC(=O)c1cc2c(s1)CCC2	862993308	NPXSMSPERSGRMU-LLVKDONJSA-N	321.446	1.871	50	20	DDGD	
CCC(=NNC(=O)NCCCOC)c1ccc(C(=O)O)cc1	760255198	VNPMKHIFAUMXEU-UHFFFAOYSA-N	307.350	1.835	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C(=O)N1CCC[C@@H](C)C1	767815813	VMKFELRIDICZJZ-SNVBAGLBSA-N	322.317	1.767	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2nc(C(F)(F)F)cs2)c[nH]1	762831202	MATXSYKVYUXAQL-UHFFFAOYSA-N	318.280	1.916	50	20	DDGD	
CCNC(=O)COC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	769977977	IMULYLLKLIZFHL-HOTUBEGUSA-N	304.184	1.619	50	20	DDGD	
Cc1cc(=NNC(=O)CC2CN(C(=O)OC(C)(C)C)C2)cc[nH]1	862513184	PJFVICHNQHWNIN-UHFFFAOYSA-N	320.393	1.512	50	20	DDGD	
Cc1cccc([C@@H]2C[C@H]2C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	862094943	SIHCDVKWRUYYOJ-REBRKWNGSA-N	302.374	1.671	50	20	DDGD	
COc1ccc2c(c1)C[C@H](C(=O)NN[C@@H](C)C(F)(F)F)CO2	862306906	FKCUJHFFHKWMDQ-WPRPVWTQSA-N	318.295	1.818	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1	1116758539	UUPYGDPCPRJHOV-QWHCGFSZSA-N	319.361	1.216	50	20	DDGD	
Cc1cccc(NNC(=O)NCc2ccnc(N(C)C)n2)n1	875463831	ZLORCMBMFIMIJO-UHFFFAOYSA-N	301.354	1.072	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1cn(-c2ccccc2)nn1	768495150	LWHSNCIFMQHJQE-UHFFFAOYSA-N	319.328	1.901	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@H]2CCOC3(CCCC3)C2)cc[nH]1	875395460	YFHWNBUUYKOTOD-AWEZNQCLSA-N	304.394	1.930	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCCc1cccs1	1118186378	DYQMMOSGXVMNEQ-CMPLNLGQSA-N	311.407	1.436	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](C)COc1c(C)cccc1C	875146362	AWLCRCBWMYJRKH-GFCCVEGCSA-N	309.366	1.983	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(OC(C)C)c(C#N)c1	878982590	BRXVBKVWHIUNKW-UHFFFAOYSA-N	306.366	1.960	50	20	DDGD	
COCCOCC(=O)NN=Cc1c[nH]c2cccc(C#N)c12	872399846	PUDPHOXZIMXWKR-UHFFFAOYSA-N	300.318	1.153	50	20	DDGD	
COC1([C@@H](C)NC(=O)NN=c2cc[nH]c(C)c2)CCOCC1	875678704	GANRKDFKOIGHHO-GFCCVEGCSA-N	308.382	1.022	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1ccc2c(c1)CCC2	1118183358	QNLLOYNKKPKVFB-ABAIWWIYSA-N	317.389	1.431	50	20	DDGD	
CC1=C(C(=O)NNc2ccc(C(C)(C)C)nn2)C(=O)OC1(C)C	1116091356	LFYUEPYPPQQGIG-UHFFFAOYSA-N	318.377	1.869	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)NC/C=C/C1CC1	1117788398	XSUOTAJCQQATDQ-ONEGZZNKSA-N	312.373	1.938	50	20	DDGD	
Cc1c(C(=O)NN(C)C(N)=O)cnn1-c1ccc(Cl)cc1	778411533	CYMZJZGMILZBKL-UHFFFAOYSA-N	307.741	1.489	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)n1	1116516788	FXDXIFIGYMEKKP-VIFPVBQESA-N	303.366	1.752	50	20	DDGD	
Cc1cc(=NNC(=O)NCCN(C)C(=O)OC(C)(C)C)cc[nH]1	875234806	CJPUFYVSIUVMAS-UHFFFAOYSA-N	323.397	1.305	50	20	DDGD	
C[C@@H]1CCCCN(CC(=O)NNC(=O)c2cccc(C#N)c2)C1	775729455	LGIBXBKZVMLJFE-CYBMUJFWSA-N	314.389	1.441	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc2cccc(C)c2o1	772062819	HEDLRSAHPAEMQA-JTQLQIEISA-N	318.329	1.844	50	20	DDGD	
COc1cccc(C(C)(C)C(=O)NNC(=S)NC(C)C)c1	1118979123	SFHUAAXYNXNNPY-UHFFFAOYSA-N	309.435	1.877	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1C[C@@]1(C)C(C)C	775073437	LPOYXIPWVUBKRG-OZVIIMIRSA-N	312.410	1.794	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)COc1cc(C)cc(C)c1	771870545	NKTYUFCFKSZPAH-LBPRGKRZSA-N	322.361	1.171	50	20	DDGD	
CN1CCc2cc(C(=O)NNC(=O)c3cccc(C#N)c3)ccc21	778715659	ZXEUXOBHIDCGDW-UHFFFAOYSA-N	320.352	1.625	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1cccnn1)C1CCCCC1	883279131	JQCGJPJTSHOWIJ-LBPRGKRZSA-N	305.382	1.780	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cccc(N2CCCC2)c1	883071881	PWEGQJFZQOVOMO-UHFFFAOYSA-N	317.389	1.474	50	20	DDGD	
Cn1cc([C@H]2CSCCN2S(=O)(=O)CCCCl)cn1	882123656	HOULNUVJJYKQIR-LLVKDONJSA-N	323.871	1.469	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](C)N1CCc2ccccc2C1	887142979	HGBMEYZQCFLXNH-AWEZNQCLSA-N	313.401	1.384	50	20	DDGD	
Cn1ccnc1[C@H]1N(S(=O)(=O)CCCCl)CC1(C)C	882229016	XLHWNBMRFCIIRW-SNVBAGLBSA-N	305.831	1.762	50	20	DDGD	
Cc1coc(C)c1C(=O)NNC(=O)c1ccc2c(c1)OCO2	785682968	WURZVQLPMLQYRX-UHFFFAOYSA-N	302.286	1.700	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(C)nc2onc(C)c12	887140562	KGGRQDPRDBTERG-UHFFFAOYSA-N	300.318	1.404	50	20	DDGD	
COc1ccccc1OCC(=O)NNc1ncncc1Cl	781833512	HTNXVDIZRAPIMG-UHFFFAOYSA-N	308.725	1.661	50	20	DDGD	
C[C@@H]1CN(C2CCOCC2)CCN1S(=O)(=O)CCCCl	882136786	QZGIKOYGTLDUAN-GFCCVEGCSA-N	324.874	1.130	50	20	DDGD	
O=C1CC[C@]2(C(=O)NNc3ccc(F)c(F)c3)SCCN12	885111165	VALKENFQJYJUJM-CYBMUJFWSA-N	313.329	1.473	50	20	DDGD	
O=C(CN1CCC(F)CC1)NNC(=O)c1cccc(Cl)c1	880240644	HLKFXNGMURUXEG-UHFFFAOYSA-N	313.760	1.535	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(-n2ccnc2)nn1)c1ccccc1	788179122	UXKLRWWMAZNWCL-GFCCVEGCSA-N	308.345	1.909	50	20	DDGD	
Cc1nc(NC(=O)NNC(=S)N[C@H]2CCCC[C@@H]2C)no1	781111515	MSVCIYVJUPXUJW-CBAPKCEASA-N	312.399	1.457	50	20	DDGD	
Cc1cc(NNC(=O)c2cnn(C)n2)ccc1Br	786428205	YELAAFNQNRBJPI-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
CO[C@H](C)CCC(=O)OCC(=O)NNC(=O)c1cccc(C)c1	782436177	YRRUIIQOSANPPI-GFCCVEGCSA-N	322.361	1.114	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@@H](OC)C(F)(F)F)nc1	780989141	XBHDNHUDTRGEGU-MRVPVSSYSA-N	308.260	1.294	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2ccc(C)nc2C)cc1	783037920	UTUBNCBRJBSDIJ-UHFFFAOYSA-N	314.345	1.789	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccn(Cc2ccccn2)n1	782573932	WFFWNYBNMPFBOV-UHFFFAOYSA-N	302.338	1.135	50	20	DDGD	
CC(C)Oc1ccc(NC(=O)C(=O)NNc2cccnn2)cc1	784858786	WBJIXBWAANWTCT-UHFFFAOYSA-N	315.333	1.346	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cccc([N+](=O)[O-])c1O	781833701	NWDKKOYDIMODNL-UHFFFAOYSA-N	309.669	1.501	50	20	DDGD	
Cc1nnc(NNC(=O)CCCCc2ccccc2)nc1O	895558800	WZDDLTPAXPMFRS-UHFFFAOYSA-N	301.350	1.742	50	20	DDGD	
CC1(C)CCC[C@@H](NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)C1	785911164	YIQRELGCPPUELP-RISCZKNCSA-N	317.455	1.336	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCc1nnnn1CC(F)(F)F	786674818	DDJPLOFNESQMLG-BAQGIRSFSA-N	301.228	1.139	50	20	DDGD	
Cc1noc(Cl)c1CCC(=O)NNC(=S)NC(C)(C)C	899994861	BYDYHMIKWNTMOQ-UHFFFAOYSA-N	318.830	1.863	50	20	DDGD	
CCc1csc(NC(=O)C(=O)NNc2cccc(C#N)c2)n1	789745123	FZNVNROVWAAQEV-UHFFFAOYSA-N	315.358	1.659	50	20	DDGD	
C#CCN1CCC[C@H](NC(=O)NNc2c(F)cccc2F)C1	890371625	ZTBRIORYRRGWSI-NSHDSACASA-N	308.332	1.689	50	20	DDGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1F)S(=O)(=O)NC1CC1	794946461	VFQVMQMCRDPGGG-WZUFQYTHSA-N	311.294	1.680	50	20	DDGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNC(=O)Cc2cccnc2)C1	793428346	YGQNGOPCSIQTFP-TZMCWYRMSA-N	305.378	1.367	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2C)n1	794085995	CEBYJSUNJHUTKP-UHFFFAOYSA-N	314.301	1.681	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53	792854340	WTYWWQGIUWAIMK-BCWHTBRZSA-N	311.385	1.180	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1nc2c(s1)CCC2	793076685	RYNYNPCEKZZXMM-UHFFFAOYSA-N	317.461	1.698	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NNC(=S)Nc1ccsc1	790314536	PCBHPRYZLUTPMV-UHFFFAOYSA-N	324.387	1.089	50	20	DDGD	
N#Cc1ccc(C[C@@H](C#N)C(=O)NNc2ncc(F)cn2)cc1	792287349	ZYNIBKPAZZZBAB-LBPRGKRZSA-N	310.292	1.313	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2cc3c(s2)CCC3)nn1C	1319979240	UWSKYRBAULSEMN-UHFFFAOYSA-N	318.402	1.608	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccc(C(F)(F)F)nc1Cl	1326345257	YRSQDBNQMHUTLY-UHFFFAOYSA-N	320.662	1.639	50	20	DDGD	
O=C(CCc1ccoc1)NNC(=O)c1n[nH]c2c1CCCC2	1322427266	OJDKIYORHXGTIT-UHFFFAOYSA-N	302.334	1.275	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1cc(Br)cs1	1339300321	HHDYGXQXUQDYAD-UHFFFAOYSA-N	305.153	1.524	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)[C@H]1CC(c2cnn(C)c2)=NO1	1346934736	PZJPKMWDQLPLEM-CQSZACIVSA-N	317.324	1.504	50	20	DDGD	
Nc1cnnc(NNC(=O)Cc2ccc(O)c(F)c2)c1Cl	1351246209	WJKLALIIENTGRB-UHFFFAOYSA-N	311.704	1.243	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1cc(C(=O)O)ccc1O	1608478056	RUOVKZQKHRZYJR-UHFFFAOYSA-N	300.274	1.063	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1ccc(C(=O)O)cc1F	1605632132	AVNROTUADOYBFK-JYRVWZFOSA-N	320.320	1.974	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1ccccc1C(=O)O	1605815895	XIIBFLCPDFXUGU-UHFFFAOYSA-N	300.274	1.246	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N(CC(=O)O)CC1CC1	1605576603	PJIZKOJCKKPSTL-NTUHNPAUSA-N	300.314	1.622	50	20	DDGD	
O=C(NNC(=O)c1ccc(C(=O)O)cn1)NC1CCCCC1	1601554827	JQEIHAUCOWRCDF-UHFFFAOYSA-N	306.322	1.057	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1ccc2ccc(F)c(F)c2n1	1608754477	HXDURGZNAOKNTC-UHFFFAOYSA-N	308.244	1.231	50	20	DDGD	
Cc1cc(=NNC(=O)c2[nH]c3ccccc3c2CC(=O)O)cc[nH]1	1600282008	WWQJIPSWLQFJHA-UHFFFAOYSA-N	324.340	1.677	50	20	DDGD	
Cc1nn(Cc2ccccc2)c(C)c1C=NNC(=O)C(=O)O	1610571720	AOGOJDMISWAAHS-UHFFFAOYSA-N	300.318	1.083	50	20	DDGD	
Cc1cnc(C=NNC(=O)[C@H]2CCCO[C@H]2c2nccn2C)o1	1549312194	AAUKLKOSOCTLDI-WCQYABFASA-N	317.349	1.335	50	20	DDGD	
O=C1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](F)Cl)C3)C1	1804157682	YFRBCMOUKLSFIL-WYFGTUCQSA-N	316.760	1.138	50	20	DDGD	
C[C@H](C=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)Cc1ccccc1	1549319737	JGVKPBSEFKHXLG-USXIJHARSA-N	315.417	1.830	50	20	DDGD	
Nc1cc(NC(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)ccc1F	1580436653	JQGFFHUJLZQLLU-VDDIYKPWSA-N	308.313	1.128	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)c1ccc2scnc2c1	1580736202	OBDLBMVAZAIDMJ-UHFFFAOYSA-N	304.375	1.057	50	20	DDGD	
Cc1nc(C(=O)N2CC3(CCCN3C(=O)[C@@H](F)Cl)C2)co1	1843363076	RFFFEKZKOKSCDI-SNVBAGLBSA-N	315.732	1.334	50	20	DDGD	
CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccnc(C)n1	1588776293	IFJMPXAIEXODJG-UHFFFAOYSA-N	322.332	1.119	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cn[nH]c2)C1	1843500458	QFCKBSOZNUHDRJ-GFCCVEGCSA-N	324.812	1.634	50	20	DDGD	
COc1cc(-c2nn[nH]n2)ccc1C(=O)NN(C)c1ccccc1	1591482822	YAZNKBAYITVJAU-UHFFFAOYSA-N	324.344	1.657	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1cc(C)sn1	1599376517	NTRKIQOJSDVSJL-UHFFFAOYSA-N	307.331	1.915	50	20	DDGD	
Cc1cc(C#N)cc(C)c1CC(=O)NNc1ncccc1C(=O)O	1594273782	ABIXSTPPVFYTGW-UHFFFAOYSA-N	324.340	1.954	50	20	DDGD	
COc1ccc(NNC(=O)c2ccsc2CC(=O)O)nc1	1599598235	RDGUKSYZMSJCRX-UHFFFAOYSA-N	307.331	1.536	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1590182191	ZMBVTXQEXLIGQO-NOZJJQNGSA-N	314.349	1.315	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C(C)CCC(=O)O	1597179964	PUSRDXJLRSUMEM-UHFFFAOYSA-N	308.334	1.821	50	20	DDGD	
COCc1nn(C)cc1C(=O)NNc1cccc(C(=O)O)c1F	1599305660	GWUDYXPWXNYTMS-UHFFFAOYSA-N	322.296	1.161	50	20	DDGD	
N#Cc1ccc(C(=O)O)c(C=NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)c1	1776091004	MWPFRUVRMFMOEJ-KWCYVHTRSA-N	313.313	1.274	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=O)c1cccnc1	162638525	ICPRPHVQWXRCBQ-UHFFFAOYSA-N	315.289	1.765	50	20	DDGD	
CNC(=O)CCCC(=O)NNc1ccc(C(F)(F)F)cn1	158158128	JHNVFWSKEQEWNB-UHFFFAOYSA-N	304.272	1.460	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(Cc2ccccn2)CC1	158711173	RZJLLQVRQSEACH-YPKPFQOOSA-N	300.362	1.170	50	20	DDGD	
CN(C)C(=O)NNC(=O)CSc1nccc2ccccc12	155482068	ZFRUXLHYUDSSPI-UHFFFAOYSA-N	304.375	1.629	50	20	DDGD	
O=C(CS(=O)(=O)C1CCCC1)NNc1cccc(F)c1	154505355	JPBKJPVZMMTDTE-UHFFFAOYSA-N	300.355	1.626	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc(F)cc(Cl)c1O	159727489	CMOZWPDJJSXEKA-UHFFFAOYSA-N	311.700	1.598	50	20	DDGD	
O=S(=O)(NC1(CCO)CC1)c1ccc(CCCl)cc1	814280349	DEJUAEARPURTIA-UHFFFAOYSA-N	303.811	1.661	50	20	DDGD	
CCNC(=O)NN=C(C)CCN1C(=O)c2ccccc2C1=O	730946958	WDAOIFTZCABUTJ-UHFFFAOYSA-N	302.334	1.368	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccccn1	6404830	HPALMGWXKHHKCM-JTQLQIEISA-N	303.293	1.449	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNC(=O)c1cccc2ncccc12	106812570	IONPZXVIBPWAET-AWEZNQCLSA-N	301.346	1.811	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)CCOc1ccccc1F	109827258	ZVPZRDQLASPOOI-LLVKDONJSA-N	311.357	1.082	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNC(=O)c2ccccc2C)c1	10292490	IPBXEQBSNBPBDA-UHFFFAOYSA-N	312.325	1.856	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2ccccc2C)cc1	8090022	ZGRDURQWPBYWFG-UHFFFAOYSA-N	312.325	1.856	50	20	DDGD	
CC(C)(C)S(=O)(=O)CC(=O)NNc1cccc(Cl)c1	179288190	HUYFOJHJRJEHQC-UHFFFAOYSA-N	304.799	1.996	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H]2CCCO2)cc1	27740464	DCJYHSMJYZTJSH-BXUZGUMPSA-N	322.361	1.179	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cc([N+](=O)[O-])c[nH]1	23915178	BQGDHKQOSTWYHF-UHFFFAOYSA-N	304.262	1.006	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)Nc1nccs1	171547106	JZWKHWIYDRHAMH-UHFFFAOYSA-N	306.347	1.634	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2c[nH]nc2C)cc1C	67965393	AFCBPKVPVIZZSO-UHFFFAOYSA-N	302.334	1.175	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@@H](C)O)c1C	179651304	QKAJYKSEKTZWER-AZZDOICSSA-N	305.378	1.155	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)Sc1nncn1C1CC1	110103869	ZFRBWDMVCYUMDB-VIFPVBQESA-N	311.411	1.287	50	20	DDGD	
O=C(CCOC1CCOCC1)NNc1nccnc1Cl	175546863	GHOHVXVIRJIRIX-UHFFFAOYSA-N	300.746	1.159	50	20	DDGD	
Cc1cc(NNC(=O)c2cc3c(C)nn(C)c3s2)ncn1	173607591	NVWXJECHCLGWAF-UHFFFAOYSA-N	302.363	1.799	50	20	DDGD	
O=C(NNC(=O)c1cc(=O)[nH]c2ccccc12)NC1CCCC1	65920969	IMEGEIUWZZKISZ-UHFFFAOYSA-N	314.345	1.415	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2cccnc2)cc1	117571787	KKXKTPRIWVYOTA-GFCCVEGCSA-N	313.357	1.873	50	20	DDGD	
CCOC(=O)NNC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1	29559922	BCRAPSYLFUAENR-GFCCVEGCSA-N	321.333	1.195	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)CC(F)(F)F)cc1	113932818	WCIQGLSLWJZEJQ-UHFFFAOYSA-N	303.284	1.250	50	20	DDGD	
N#CCSCC(=O)NNc1ccc([N+](=O)[O-])cc1Cl	125025495	JIBFQCAEEXCAPK-UHFFFAOYSA-N	300.727	1.948	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc2ccccc12	124697945	AOTVWUSPLZNLGI-NSHDSACASA-N	313.357	1.972	50	20	DDGD	
CO[C@@H](C)CCC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	180808495	UODZLQUDFCVYFH-QWRGUYRKSA-N	312.341	1.556	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CCC(C)C)cc(OC)c1OC	36684846	DZORNMLBQNCBJA-UHFFFAOYSA-N	324.377	1.910	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1cccc(C(F)(F)F)n1	123781868	YLANBEIDNDOPKY-UHFFFAOYSA-N	313.239	1.895	50	20	DDGD	
O=C(NCc1ccc(N2CCCC2)cc1)NNc1cccnn1	77348353	MTKVZRPLMHZCJA-UHFFFAOYSA-N	312.377	1.903	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCO[C@H]([C@@H]2CCCO2)C1	154651985	NDZSEBRDMRJWTO-RYUDHWBXSA-N	311.831	1.215	50	20	DDGD	
CCO[C@@H]1C[C@](N)(C(=O)NNc2nc(C)cc(C)n2)C1(C)C	187182867	GUHJYGIOZDBBBF-ABAIWWIYSA-N	307.398	1.069	50	20	DDGD	
C=C1c2ccccc2C(=O)N1CC(=O)NNc1cccc(OC)n1	180667548	PZXZOWUYYFCAKK-UHFFFAOYSA-N	324.340	1.660	50	20	DDGD	
CCCC(=O)N1CCCC[C@H]1C(=O)NNc1ccnc(F)c1	182465409	DMCSGFKDMBQMKZ-LBPRGKRZSA-N	308.357	1.845	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	125325090	IJCTUHMAHOJZDE-KWQFWETISA-N	312.753	1.677	50	20	DDGD	
C[C@@H](CNS(=O)(=O)CBr)CN1CCCCC1	127340575	JHZNGHIBGSXEFJ-JTQLQIEISA-N	313.261	1.380	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cccc(=O)n1C)c1ccccc1	120256036	ZXVUGTVWCJVVOH-ZDUSSCGKSA-N	313.357	1.340	50	20	DDGD	
CN(NC(=O)c1ccccc1-c1nc(C(C)(C)C)no1)C(N)=O	181079038	XOHSKVWGACUPCP-UHFFFAOYSA-N	317.349	1.689	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)CCc1ccco1	71822135	LNWSRLXEVGVTFH-UHFFFAOYSA-N	317.345	1.480	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2cccnc2)[nH]c(C)c1C(C)=O	48201259	LNUBJGGKRLPIOO-UHFFFAOYSA-N	314.345	1.558	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)Cc1ccc(Cl)cc1Cl	190069235	GBHITMNGWQSQQW-UHFFFAOYSA-N	305.161	1.454	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2ccc3ccccc3n2)n[nH]1	192838967	UJGSLTSGCGVQAO-UHFFFAOYSA-N	309.329	1.270	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)C(=O)c2c(C)nn(C)c2C)c1	192697572	QTOCVVDMDVHFBM-UHFFFAOYSA-N	300.362	1.980	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccccc1O	43935992	NJAJQGVJMZYKBS-SECBINFHSA-N	323.349	1.066	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cnn(C)c2)ccc1Cl	135116682	AOIXQBLQRQIOOJ-UHFFFAOYSA-N	308.725	1.157	50	20	DDGD	
CCOCCNC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	45643570	RJSUZFCGELIZPG-CYBMUJFWSA-N	323.393	1.438	50	20	DDGD	
CC(C)N1CC[C@@H](NC(=O)/C(C#N)=C\c2ccc(O)cc2)C1=O	194610164	BCTGZWVTRFPWDQ-UZGISAJGSA-N	313.357	1.425	50	20	DDGD	
CNC(=O)C(C)(C)CNC(=O)/C(C#N)=C\c1ccc(O)cc1	194787371	GUUPWMRITYQKSF-WQLSENKSSA-N	301.346	1.188	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCc2ccoc2)c1	193301604	PTOLEVUULVYNTL-UHFFFAOYSA-N	302.334	1.490	50	20	DDGD	
ICCN1CCC[C@H]1CN1CCCC1	190856429	BRCQCZQEASEKEJ-NSHDSACASA-N	308.207	1.982	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cccc(OC(F)F)c1	81027918	VZIXBTYOPYCSKJ-UHFFFAOYSA-N	321.283	1.687	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cnc2c(cnn2C(C)C)c1	140257144	MCFDMQJCGHRYDR-UHFFFAOYSA-N	303.366	1.819	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NNC(=O)N(C)C)c1C	255868588	KQUPLCMWRFTYCK-ZROIWOOFSA-N	317.393	1.724	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCC(C)(C)N1C[C@H](C)O[C@H](C)C1	255339476	UMXFONSFZOUORX-WHBRQESMSA-N	309.410	1.434	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)C(C)(C)c1ccccc1)C(C)C	266787915	YZSGKGUIWQVAJC-AWEZNQCLSA-N	321.421	1.966	50	20	DDGD	
Cc1sc(=O)n(CCC(=O)NNC(=O)c2ccccc2)c1C	265142568	NTOBGLJCRAWDOP-UHFFFAOYSA-N	319.386	1.378	50	20	DDGD	
O=C(NNS(=O)(=O)c1cccc(C(F)(F)F)c1)C1CCC1	264809382	VYUDLWISXUGWFL-UHFFFAOYSA-N	322.308	1.815	50	20	DDGD	
NC(=O)NC1(C(=O)NNc2cc(Cl)ccc2Cl)CC1	271060202	KIPFZXWOUNGTED-UHFFFAOYSA-N	303.149	1.637	50	20	DDGD	
O=C(CCCNC(=O)C1CC1)NNc1cccc(F)c1[N+](=O)[O-]	279438156	UWHRNDMIXFSYLI-UHFFFAOYSA-N	324.312	1.483	50	20	DDGD	
Cn1cc2c(n1)CCC[C@H]2C(=O)NNc1nc2ccccn2n1	366849075	ZCFAEPZEFOGCPN-SNVBAGLBSA-N	311.349	1.026	50	20	DDGD	
CN(C)c1nc2cc(NC(=O)NNC(=O)CC3CC3)ccc2o1	273506023	ZMZNBPLPVXIYTR-UHFFFAOYSA-N	317.349	1.847	50	20	DDGD	
O=C(NNC(=O)c1ccccc1-n1ccnn1)NC1CCCC1	273147751	VZONJVLEUJZTFE-UHFFFAOYSA-N	314.349	1.154	50	20	DDGD	
O=C1CCC[C@H](C(=O)NNc2ccccc2C(F)(F)F)N1	270293311	OTNNWOQFFMEOQO-SNVBAGLBSA-N	301.268	1.817	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1CCc2ccc(OC)cc21	277576921	BNNWDNJCILVSDS-GFCCVEGCSA-N	305.403	1.406	50	20	DDGD	
COC1(CC(=O)NNc2cccc(S(C)(=O)=O)c2)CCC1	276784538	IMYVJDBABSGUFJ-UHFFFAOYSA-N	312.391	1.492	50	20	DDGD	
O=S(=O)(CBr)NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	272806040	MCSXPGFNTLVQBR-UTUOFQBUSA-N	316.220	1.844	50	20	DDGD	
COc1cccc(NNC(=O)Cc2c(OC)cccc2OC)n1	272545707	QCXVWXQCMNEDKA-UHFFFAOYSA-N	317.345	1.793	50	20	DDGD	
CCN(Cc1ccccc1)S(=O)(=O)N1CC=C(C#N)CC1	273728056	SWCODAHLDSLTCN-UHFFFAOYSA-N	305.403	1.909	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2cccc(C(=O)OC)c2)CC1	272894277	BFFKRIBAZKCIFU-UHFFFAOYSA-N	306.318	1.260	50	20	DDGD	
Cn1cc(-c2ccccc2CNC(=O)NNc2ncccn2)cn1	371145203	KUORNXKBBVLVFZ-UHFFFAOYSA-N	323.360	1.703	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1ocnc1C1CC1	289399507	ONEHOPWFRORZOT-UHFFFAOYSA-N	315.329	1.651	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1nc(C2CCOCC2)cs1	376724322	RPQBASGMPHYQQW-UHFFFAOYSA-N	314.367	1.820	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCCc1nnc(N)o1	286763806	KXTMCUAPPUCJJA-SSDOTTSWSA-N	305.176	1.120	50	20	DDGD	
CC[C@H]1CN(CC(=O)NNC(=O)c2ccc(F)cc2)CCCO1	281483907	SOUVJEBYLCAEHD-AWEZNQCLSA-N	323.368	1.088	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@H]2C[C@H](c3ccccc3)C2)cn1	281821191	OWMOFWMJDFRMDC-MQMHXKEQSA-N	313.361	1.310	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCC[C@H]2CCCCO2)n1	280182771	GSFPWEZWCNRFNA-GFCCVEGCSA-N	306.366	1.293	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H](C)CNC(=O)OC(C)(C)C	286382563	CHNJAWSGNJTESH-NSHDSACASA-N	308.382	1.994	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)Cc1ccc(Cl)c(F)c1	295917292	HTUDCVTXDRSIQX-UHFFFAOYSA-N	310.734	1.512	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNc1nccnc1C1CCC1	290924880	OFUDHEBQBYVCPJ-JTQLQIEISA-N	306.366	1.777	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)Oc1ccccc1	297322206	RNLDJUZIDTUCIC-OBJOEFQTSA-N	321.377	1.352	50	20	DDGD	
CCC[C@@H](CNC(=O)NNC(=O)Cc1ccccc1F)OC	296867232	MKAGHZQPKXWWJG-LBPRGKRZSA-N	311.357	1.514	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cnc3[nH]c(O)nc3c2)n1	809695072	ZKLAJGXBCCXSPO-UHFFFAOYSA-N	319.712	1.172	50	20	DDGD	
Cc1nsc(C)c1C(=O)NNC(=O)COCc1ccccc1	293222430	RWSUHWWLPVSMCI-UHFFFAOYSA-N	319.386	1.738	50	20	DDGD	
Cc1ccccc1C[C@@H](C)NC(=O)NNC(=O)[C@H]1CCCCO1	296318727	LLENBPKBUOSPBB-UKRRQHHQSA-N	319.405	1.826	50	20	DDGD	
O=C(C[C@@H]1OC(=O)c2ccccc21)NNC(=O)[C@H]1CCCCO1	295627096	SAQKTILZTDLFCE-OLZOCXBDSA-N	318.329	1.005	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)CN2CCCCC2=O)c1	293919554	LRICECBWVQKYEH-UHFFFAOYSA-N	304.350	1.101	50	20	DDGD	
CCCC[C@H](C)C(C)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	807965470	XPSLHBSPYHIDOW-CMPLNLGQSA-N	303.428	1.675	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)C(=O)c1ccc(Cl)cc1	295679186	XVVRDNIIAZFMJW-LLVKDONJSA-N	310.737	1.239	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)c1ccccc1)N1CCCC1=O	299513970	KELGUWGUWCCKMG-AWEZNQCLSA-N	303.362	1.095	50	20	DDGD	
CCc1nc(C)c(CNC(=O)NNC(=O)c2ccccc2F)o1	293265399	CDDYYOHFHGDNTD-UHFFFAOYSA-N	320.324	1.829	50	20	DDGD	
CO[C@@H](C)c1nsc(NC(=O)NNC(=O)c2cccn2C)n1	809925404	KDALHJYJRNDKSL-ZETCQYMHSA-N	324.366	1.051	50	20	DDGD	
O=C(Cc1ccccc1)NCCC(=O)NNc1ncccc1F	804214574	ZENYSTQXUWMTDJ-UHFFFAOYSA-N	316.336	1.413	50	20	DDGD	
Cc1nn(CC(F)F)c(C)c1C(=O)NNc1ncncc1F	817083843	VEWMXQKHOKITJQ-UHFFFAOYSA-N	314.271	1.451	50	20	DDGD	
CC[C@H](C)n1ncc2c(C(=O)NNc3nc[nH]n3)cc(C)nc21	816634244	BUXFALPDASNYNF-VIFPVBQESA-N	314.353	1.586	50	20	DDGD	
CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N(C)CC(Cl)Cl	816628392	UJEKBVJWBXQPEC-ZETCQYMHSA-N	323.142	1.952	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)C[C@H]2CCOC2)c1	816405321	NJIHAKGTGJTRPJ-LLVKDONJSA-N	306.366	1.650	50	20	DDGD	
Cc1c(C(=O)NNc2ncncc2F)cnn1CCC(C)C	817080134	VKMUJOBLRSCGAN-UHFFFAOYSA-N	306.345	1.924	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2ccc(Br)o2)CC1	814911898	GUHPBEQFZVXMMJ-UHFFFAOYSA-N	315.171	1.333	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2cc(CO)ccc2O)ccn1	814844855	RSRIIWKQJIIFSG-UHFFFAOYSA-N	314.345	1.109	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1cc(C2CC2)ccn1	810324335	JPYWOLVEQGMRGV-UHFFFAOYSA-N	311.345	1.749	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1cnn(CCF)c1	813558009	HYZRYKVWQNJHDN-UHFFFAOYSA-N	305.313	1.628	50	20	DDGD	
CCOc1cccc(CNC(=O)NNc2ncncc2F)c1	814278492	MTULIWAOXSEHOW-UHFFFAOYSA-N	305.313	1.841	50	20	DDGD	
Cc1cc(NNC(=O)Cn2nc(C(F)(F)F)cc2C)ncn1	810405736	MUSJBULSHJMNGA-UHFFFAOYSA-N	314.271	1.452	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1	726714363	PRMKMHZHILQQQJ-CQSZACIVSA-N	317.389	1.229	50	20	DDGD	
CCN(CCO)NC(=O)c1csc(-c2ccc(C)n2C)n1	823870004	VLULXHXWQLCXMO-UHFFFAOYSA-N	308.407	1.416	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1C[C@H](C)CN(C)c2ccccc21	828345032	MAGYRZLNTSSLDU-CYBMUJFWSA-N	318.421	1.382	50	20	DDGD	
COC(=O)N1CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CC1	490843062	NEAWIPQGKIBGPG-RAXLEYEMSA-N	317.320	1.643	50	20	DDGD	
Cc1ccn(CC(=O)NNC(=O)CCCc2ccccc2)n1	823051064	SLJHAEAODAXDQB-UHFFFAOYSA-N	300.362	1.362	50	20	DDGD	
CC[C@@H](C)C=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	825060962	VIIMQEBVGYEOIR-SNVBAGLBSA-N	302.338	1.394	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)C1CCC=CCC1	821757827	YLCILKDWDDKKPG-UHFFFAOYSA-N	311.382	1.405	50	20	DDGD	
CCN(CC)CCSCC(=O)NN(C)C(=O)OC(C)(C)C	495980571	QNNABLGKVYZIGL-UHFFFAOYSA-N	319.471	1.960	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCc2cccn2C)cc(C#N)n1C	490664600	SEZAZERFFRZCCS-VGOFMYFVSA-N	307.357	1.767	50	20	DDGD	
CC(C)OC(=O)[C@@H](C)CNC(=O)/C(C#N)=C/c1cnn(C)c1	491174680	IMQMODZAPSHCBC-CBJCJLNRSA-N	304.350	1.031	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)Nc1ccccc1C(F)F	824527683	UHKHTGVYILKICL-UHFFFAOYSA-N	311.288	1.510	50	20	DDGD	
CC(C)CO[C@H](C)C(=O)NNc1nc(-c2ccncc2)no1	728071571	AUGBIYKEFNSBTH-SNVBAGLBSA-N	305.338	1.636	50	20	DDGD	
CC(=NNC(=O)CC(C)(C)C)c1cccc(S(N)(=O)=O)c1	728429010	PIXUXZGIJXYVGU-UHFFFAOYSA-N	311.407	1.610	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@@H]1CC=CCC1	826445567	ZNBAJESNXMZSDX-MRVPVSSYSA-N	319.756	1.715	50	20	DDGD	
C/C=C(/C=C\C(=O)NNC(=O)C(=O)Nc1ccccn1)CC	493036334	CSBNCOBAZDEMJF-PXGQUBIOSA-N	302.334	1.080	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@H]1CCCN(O)C1=O	820471535	YTSFBRDYEVCCKY-YUMQZZPRSA-N	307.188	1.292	50	20	DDGD	
C[C@]1(C(=O)NCCOC[C@@H]2CCOC2)C[C@@H]1Br	906635244	GMMCZUGHBFJPGT-SCVCMEIPSA-N	306.200	1.329	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1cccc2ccc(C)nc12	493007823	CXDDKEANPHRUSW-UHFFFAOYSA-N	309.347	1.483	50	20	DDGD	
CC(C)(C)c1cc(-c2nc(-c3cccc(B(O)O)c3)no2)[nH]n1	585053696	PAASMHHVGBMVIC-UHFFFAOYSA-N	312.138	1.104	50	20	DDGD	
Cc1cn2ccc(NC(=O)NNC(=O)CC(F)(F)F)cc2n1	825910691	JFWUXRKHFXRVSK-UHFFFAOYSA-N	315.255	1.748	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc(Cl)cc1C	901967323	ZVNQUJMEZOKOAA-UHFFFAOYSA-N	314.794	1.761	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N=c2cc[nH]cc2)c(C(F)F)n1	491083240	KYUVHBQIGGKDSB-RMKNXTFCSA-N	303.272	1.720	50	20	DDGD	
CC(C)(C(=O)NNc1cccc(-c2nn[nH]n2)c1)c1cccnc1	824065149	UDSVCJYLQFVRRX-UHFFFAOYSA-N	323.360	1.683	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cc[nH]1	827030748	JRPYSILEFOAHQU-GJZGRUSLSA-N	312.329	1.967	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(OC(F)F)c(Cl)c1	900427061	DJTQKAWLAFVRCL-UHFFFAOYSA-N	307.684	1.857	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)C[C@H]1Br	907067697	JBBPDXWMLKXNQB-BYNQJWBRSA-N	310.191	1.934	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1c[nH]c2ccc(C(=O)O)cc12	738828182	QGIFGFCCLBERJS-UHFFFAOYSA-N	311.301	1.662	50	20	DDGD	
CCC[C@@H](C)N1C[C@@H](C(=O)NNC(=O)OC(C)(C)C)CC1=O	490786851	JEHVAVNQUAKAMJ-MNOVXSKESA-N	313.398	1.579	50	20	DDGD	
N#C/C(=C\c1ccccc1OCCC(=O)O)C(=O)NC1CC1	901419618	FIFNMCVCRKSJLA-FMIVXFBMSA-N	300.314	1.726	50	20	DDGD	
O=C(CSc1cccc2cccc(Cl)c12)NCB(O)O	585056854	CRUUPQQNTRWWII-UHFFFAOYSA-N	309.583	1.714	50	20	DDGD	
CC1(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CCCC1	736202223	HRDLOSCPXWFUBP-UHFFFAOYSA-N	314.349	1.208	50	20	DDGD	
C/C=C/C(=O)NNC(=O)c1cc(OC)ccc1Br	737836445	OTBSYEJNGMTIIS-ONEGZZNKSA-N	313.151	1.795	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2cc(C(=O)O)ccc2O)n1	738816949	XKDGLIVWKYXQDV-UHFFFAOYSA-N	319.342	1.548	50	20	DDGD	
Cc1cccc2c1N([C@H](C)C(=O)NNC(=O)CC(C)C)CC2	732198185	WWFDLBUEJPMNHI-CYBMUJFWSA-N	303.406	1.940	50	20	DDGD	
C[C@H]1CN(c2cccc(F)c2)CCN1S(=O)(=O)CCl	831612265	GAXHSVMPSPDZIB-JTQLQIEISA-N	306.790	1.862	50	20	DDGD	
COc1ccc2c(c1)C(C)(C)CC2=NNC(=O)c1ncon1	901290127	PGXSKWLIBUTAAS-UHFFFAOYSA-N	300.318	1.894	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNc1cnnc2ccccc12	839683263	FMSPIZYVCVENPF-SNVBAGLBSA-N	302.334	1.662	50	20	DDGD	
CC(C)(C)CNC(=O)c1ccc(C(=O)NNc2nc[nH]n2)cc1	839768752	DWWIFDVLRKIUDE-UHFFFAOYSA-N	316.365	1.338	50	20	DDGD	
COc1ccccc1N(C)[C@H](C)C(=O)NNC(=O)CC(C)C	731849158	SXJDJVKNERWPTH-GFCCVEGCSA-N	307.394	1.713	50	20	DDGD	
CCO[C@@H]1C[C@@H](NCc2ccc(B(O)O)o2)C12CCCCC2	585029713	RSOKGSJSJLUIOB-ZIAGYGMSSA-N	307.199	1.177	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc2c(ccn2CCCN)c1	831944662	FGDGSCOWFUFBJQ-UHFFFAOYSA-N	317.393	1.296	50	20	DDGD	
CC(=O)N1CCC(CNC(=O)[C@]2(C)C[C@H]2Br)CC1	906584987	ZGQGMNYAARXFFD-DGCLKSJQSA-N	317.227	1.535	50	20	DDGD	
Cc1nc2ccccn2c1CNS(=O)(=O)CBr	908366364	CPYUDKRPJYAAEM-UHFFFAOYSA-N	318.196	1.415	50	20	DDGD	
O=C(NCB(O)O)c1ccc(Oc2ccc(F)cc2F)cc1	585060652	VEQUACOWZPHNRS-UHFFFAOYSA-N	307.061	1.499	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNc1cccc(Br)n1	837211504	DRKTYPKNXOHMEN-ZETCQYMHSA-N	316.155	1.486	50	20	DDGD	
COc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)c2cc(C)[nH]n2)cc1	831424227	JHVAICVNFWAAEV-QWHCGFSZSA-N	314.345	1.291	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cc(C(C)C)no2)cc1	733805402	SXLZYTKRORHLSI-UHFFFAOYSA-N	316.361	1.980	50	20	DDGD	
COc1ccc(C(=O)C[C@@H](C)C(=O)NN(C)C[C@H](C)O)cc1	910151653	HRNPTAPKWQIOPJ-NEPJUHHUSA-N	308.378	1.248	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H]1CCCc2nn[nH]c21	834580901	RJSZVJFIQLOEJO-VIFPVBQESA-N	301.354	1.281	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)C2=NN3CCCN=C3N2)cc1	831900500	XYTHJEIFTPXWLV-UHFFFAOYSA-N	314.393	1.406	50	20	DDGD	
CC(C)NC(=O)Nc1ccc(C(=O)NN(C)C[C@@H](C)O)cc1	910169849	HBXBAAWLGGLHGW-LLVKDONJSA-N	308.382	1.174	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCC1	910146593	LCQVEZXOOYQEBV-CMPLNLGQSA-N	315.414	1.024	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccc3c(c2)OCCO3)n1	740103680	YFNOTGDZQZYMNN-UHFFFAOYSA-N	315.333	1.071	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2cnc3cnccn23)cc1	746366174	JPGYIDNDQBPDQZ-UHFFFAOYSA-N	308.345	1.600	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNC(=O)c1ccc(Cl)cc1F	747429625	VKUIGNFUKIDIQE-ZDUSSCGKSA-N	323.755	1.338	50	20	DDGD	
COC(=O)COc1ccc(C=NNC(=O)c2cccnc2)cc1	916660969	VRDGNDKHHFTBQP-UHFFFAOYSA-N	313.313	1.397	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(Br)ccc1O	910174399	SWZIMDPWRJIWFR-ZETCQYMHSA-N	303.156	1.112	50	20	DDGD	
C/C(=C/C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)C(C)(C)C	744354114	BKSPPLVMVLFCGC-MMRAYRKESA-N	302.440	1.471	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)[C@H]2CCO[C@H]2C)cc1OC	842556062	QGGIFOLEDHQFOP-AAEUAGOBSA-N	306.362	1.969	50	20	DDGD	
NC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)CCc1ccccc1	841951951	YEDLRBFUBZRXBX-GJZGRUSLSA-N	318.421	1.467	50	20	DDGD	
COC(=O)[C@@H](O)C1CCN(/C(=C\C#N)c2ccc(F)cc2)CC1	749535371	NTOVSCYDOGMXPR-PJVYJYFWSA-N	318.348	1.936	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2C[C@H]2c2ccco2)n1	840485811	WTYVMFIFLHJKIA-NXEZZACHSA-N	303.322	1.569	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)/C=C\c2cnn(C)c2)o1	746303217	NGXQTPLEPFNGSE-PLNGDYQASA-N	300.322	1.560	50	20	DDGD	
CC[C@H](C#N)C(=O)NNC(=O)c1cccc(Br)c1	845648172	CKMXBOJQLXHSCY-MRVPVSSYSA-N	310.151	1.760	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(S[C@H]2CCOC2=O)cc1	910159949	CYUQTPRLFQSGIA-MFKMUULPSA-N	324.402	1.052	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CS[C@@H](C)C2)cc1	840415211	FIJFCMISRSJOIW-RYUDHWBXSA-N	323.418	1.598	50	20	DDGD	
O=C(NNC(=O)c1csc(NC2CC2)n1)c1ccccc1	740748878	BTSWKGKGVRRFNO-UHFFFAOYSA-N	302.359	1.792	50	20	DDGD	
COc1cnc(C(=O)NNc2ncnc(Cl)c2C(C)C)nc1	840545479	VQENYVXJJJCTKH-UHFFFAOYSA-N	322.756	1.809	50	20	DDGD	
COCCCOc1cccc(C(=O)NNC(=O)NCC2CC2)c1	742054167	XKTPTWCFNJVEJG-UHFFFAOYSA-N	321.377	1.456	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@H]1CCCC(=O)N1C	912835415	INEBTFURXPVSGY-CYBMUJFWSA-N	319.361	1.297	50	20	DDGD	
COC(=O)C12CC(C(=O)NN=c3cc[nH]c4ccccc34)(C1)C2	844132918	OEEOKZANMQIWNG-UHFFFAOYSA-N	311.341	1.443	50	20	DDGD	
CC(C)(C)C(=O)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	746098087	RBZPXGBHKBRPMQ-UHFFFAOYSA-N	301.346	1.473	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)c2c(C)nc3ccccn23)[C@H]1OC	841607679	XBZNTPOAXVLRQX-IUODEOHRSA-N	316.361	1.552	50	20	DDGD	
O=C(NNc1ccc(F)cc1Br)[C@@]1(O)CCOC1	840400979	BOXGDMWPWHNRFZ-LLVKDONJSA-N	319.130	1.183	50	20	DDGD	
COc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)c2ccncc2)c1	920276984	UAVFQJKDZSUOJN-UHFFFAOYSA-N	316.273	1.073	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNc2ccc(Cl)c(C)c2)c(=O)n1	928339832	LDBCXRBIJOZFAK-UHFFFAOYSA-N	320.780	1.965	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ncccc2Cl)[C@@H]2CCCC[C@@H]2N1	857127530	TXBPZMFHCPRJSW-NHCYSSNCSA-N	322.796	1.873	50	20	DDGD	
CC[C@@H](C)[C@H](C)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855833044	HFYZWYAXIOAUCT-NEPJUHHUSA-N	313.442	1.759	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)NCC2(C)CC2)cc1	752020484	UJJGRDUUDLYMDO-UHFFFAOYSA-N	305.382	1.888	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H](C)CN2CCCCC2)c1	858276352	UUQQNEBIZXTKPM-LBPRGKRZSA-N	324.450	1.875	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C=NNC(=O)[C@H]1CCCO1	853349092	QAQFGSRIKUSGSV-YNEHKIRRSA-N	306.366	1.169	50	20	DDGD	
C[C@H](C(=O)N(C)CC(Cl)Cl)n1cnc2c(N)ncnc21	854479121	PLRWNEOTKOHZBC-ZCFIWIBFSA-N	317.180	1.232	50	20	DDGD	
C[C@@]1(CO)CCCN1C(=O)NC[C@@]1(C)C[C@@H]1Br	856955651	QIPUZSPTKKLURA-WCQGTBRESA-N	305.216	1.716	50	20	DDGD	
CC(C)N1CCC[C@@H]1C(=O)NNC(=O)c1c[nH]c2ccccc12	929391910	YNIPCSFEKOPHGC-OAHLLOKOSA-N	314.389	1.802	50	20	DDGD	
CC(=O)c1csc(C(=O)NNC(=S)NCC2CCC2)c1	855091624	XMGBOQWXXWTOGE-UHFFFAOYSA-N	311.432	1.860	50	20	DDGD	
O=C(NN=Cc1cscc1Cl)[C@@H]1CN2CCC[C@@H]2CO1	853389272	YPZUKAVLGGBWMB-PWSUYJOCSA-N	313.810	1.715	50	20	DDGD	
CCn1nccc1C(=O)NNc1cccc(C(=O)OC)c1C	855625557	VYTDTLHLJDMRJL-UHFFFAOYSA-N	302.334	1.755	50	20	DDGD	
CCCNC(=O)NNC(=O)C1(c2ccccc2C)CCOCC1	921038572	UAYUWPKHJJECKF-UHFFFAOYSA-N	319.405	1.784	50	20	DDGD	
Cc1cnc([C@H](NCC(=O)NNC(=O)C2CC2)C2CC2)s1	754420007	UYONXAPKJMJSMD-GFCCVEGCSA-N	308.407	1.050	50	20	DDGD	
C[C@H]1COC[C@@H]1NC(=O)NNC(=O)c1cccc2ncccc12	926002875	DNXYWFFRIKCMOU-HZMBPMFUSA-N	314.345	1.214	50	20	DDGD	
CC(C)OCCNC(=O)NNC(=O)Cc1c[nH]c2ccccc12	758717135	FABTVIJBFVFHSX-UHFFFAOYSA-N	318.377	1.466	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1ccc(N2CCCC2)nc1	758371308	WQGDCTYVORITCM-UHFFFAOYSA-N	309.373	1.770	50	20	DDGD	
O=C(NN=Cc1cnc2ccccn12)[C@@H]1COc2ccccc2O1	755484419	NFICDHCZISQIII-HNNXBMFYSA-N	322.324	1.624	50	20	DDGD	
COC(=O)c1coc(C=NNC(=O)c2ccnc(N(C)C)c2)c1	758109994	HQNPTUXKRLIFKK-UHFFFAOYSA-N	316.317	1.291	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2c[nH]c3ncccc23)nc1	759737981	JFWBNCDIHJTEES-UHFFFAOYSA-N	311.301	1.501	50	20	DDGD	
CCC(C#N)(CC)C(=O)NNC(=O)[C@H]1COc2ccccc2O1	858123685	ASKMWJYJHFZUGH-CYBMUJFWSA-N	317.345	1.304	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H]1CCCc2nn[nH]c21	854457471	HQQWPVMGPGAEMW-SNVBAGLBSA-N	316.321	1.585	50	20	DDGD	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NN=CC(C)C)cc1	755520428	YPZOCKLPIJKUMX-UHFFFAOYSA-N	311.407	1.374	50	20	DDGD	
C[C@H]1CN(c2ccccc2C=NNC(=O)c2cc[nH]n2)CCO1	853391997	BOWCFGHPGUMYGA-LBPRGKRZSA-N	313.361	1.399	50	20	DDGD	
CC(C)[C@@H]1C[C@H](C(=O)NNc2nc3ccccn3n2)CCO1	935620310	GJPJJHUFIZULLH-NEPJUHHUSA-N	303.366	1.624	50	20	DDGD	
O=C(CN(CC1CCC1)CC(F)(F)F)NNC(=O)C1CC1	752338527	QZVZJRDFMLECME-UHFFFAOYSA-N	307.316	1.208	50	20	DDGD	
C[C@H](NC(=O)NNc1ncccn1)c1ccc([S@@](C)=O)cc1	756727742	VUAKSTMLUMNOLR-MLMJSJRWSA-N	319.390	1.601	50	20	DDGD	
Cc1noc2ncc(S(=O)(=O)NCC(Cl)Cl)cc12	867471912	YJIFOWWDEONGOM-UHFFFAOYSA-N	310.162	1.613	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)COc2cccnc2)c1	768712447	LTFYTZZHNJGPEM-UHFFFAOYSA-N	303.709	1.524	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCC1(N2CCOCC2)CC1	867194405	UHBWIIUWKBNEIJ-UHFFFAOYSA-N	324.874	1.036	50	20	DDGD	
CC1=C(C(=O)NNC(=O)N=c2cc[nH]cc2)CCN1C(C)C	935858639	ZDXWQKPGHIPIFH-UHFFFAOYSA-N	303.366	1.044	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccnc1)c1cccc([N+](=O)[O-])c1	761390882	KZXZKCDYHGZUBI-SNVBAGLBSA-N	314.301	1.555	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2C[C@@H](CO)C2)cc1	869875376	RGUBBTMOJCLPFG-XYFZSHJZSA-N	300.358	1.879	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2ccsc2C(F)(F)F)N1	863151768	SYDDJIZBBGBGRR-SSDOTTSWSA-N	305.281	1.496	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccc2nc(C(F)F)[nH]c2c1	768245013	RBPDGNNIGRYNIH-UHFFFAOYSA-N	312.276	1.032	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCc2ccco2)nc1Cl	767320754	GYBFUDDWKQZATA-UHFFFAOYSA-N	324.724	1.481	50	20	DDGD	
CC(C)[C@@H]1c2ccccc2CCN1CC(=O)NNC(=O)C1CC1	763704289	MXLDONKXXMDIMB-QGZVFWFLSA-N	315.417	1.799	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	765970363	KKYFLDNTVYHMDH-POHAHGRESA-N	321.245	1.600	50	20	DDGD	
COc1ccc(NNC(=O)C2=NN(CC(C)C)C(=O)CC2)cc1	768707947	VMYINHYYYYDRNU-UHFFFAOYSA-N	318.377	1.773	50	20	DDGD	
C/C(=C\C(=O)NNc1nccc(N2CCOCC2)n1)C(C)(C)C	762867578	IQBGGJUISIOVOC-VAWYXSNFSA-N	319.409	1.749	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12	762580427	KZCZAVTYXFOFGU-BBBLOLIVSA-N	317.480	1.743	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1cccc(OC(C)(C)C)n1	875440537	FUDKBPUUUOBOMJ-UHFFFAOYSA-N	310.354	1.671	50	20	DDGD	
COc1cc(F)c(C=NNC(=O)C2CCOCC2)cc1OC	1119302581	FWAOJJDNWGOVLI-UHFFFAOYSA-N	310.325	1.720	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@@H]2CCOC3(CCOCC3)C2)n1	875395211	JKURFWOQDNIPNO-CYBMUJFWSA-N	320.393	1.744	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc2oc(S)nc2c1	1118605097	BABYSJFTVWQVLY-UHFFFAOYSA-N	310.404	1.634	50	20	DDGD	
CN(C)CC(=O)NN=C1CCc2c(Br)cccc21	773205270	AGVPUSAKIAHWFV-UHFFFAOYSA-N	310.195	1.777	50	20	DDGD	
C[C@H](CBr)CN1CC[C@H](NC(=O)NC2CC2)C1	770669362	UWLVTHCUURGSRS-KOLCDFICSA-N	304.232	1.553	50	20	DDGD	
Cc1nccc(C(=O)NNc2ccnc(Br)c2)n1	771553789	OZQDXMJJSPMVBB-UHFFFAOYSA-N	308.139	1.699	50	20	DDGD	
Nc1cnnc(NNC(=O)c2n[nH]c3c2CCCCC3)c1Cl	1116741244	POXVGLFIZYZMAQ-UHFFFAOYSA-N	321.772	1.461	50	20	DDGD	
Cc1nn(C)c(=O)c(C(=O)NNc2nccnc2C(C)C)c1C	772889292	LYHCLXCQSHICIX-UHFFFAOYSA-N	316.365	1.067	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)n1	1118942908	ILQDMVBIAPNITO-NSHDSACASA-N	309.391	1.048	50	20	DDGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)[C@@H](O)c1ccccc1	874751479	FRZGCRXKCDVISY-JWULFMQYSA-N	324.384	1.955	50	20	DDGD	
O=C(NNC(=O)c1c(O)cccc1O)c1ccccc1Cl	1116254439	QXHNAAQWUCJLLK-UHFFFAOYSA-N	306.705	1.826	50	20	DDGD	
Cc1c(C#N)cccc1C(=O)NNc1cc(Cl)nc(N)n1	1116926647	OVQXNMFRUGVHHJ-UHFFFAOYSA-N	302.725	1.649	50	20	DDGD	
CCC(CC)n1ccc(C(=O)NNc2nnc(C)c(O)n2)n1	770955260	KIQKURWDMXAKQL-UHFFFAOYSA-N	305.342	1.200	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1c(C)ccc2cccnc12	777929652	XKGFZGNIBPKOCG-UHFFFAOYSA-N	322.390	1.446	50	20	DDGD	
COc1cc(NC(=O)NNc2ncccn2)ccc1NC(C)=O	775509308	PBKLXKMJDGPCNV-UHFFFAOYSA-N	316.321	1.592	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc2c(c1)CCC(=O)N2C	878631181	ZAUNNIBSLOFAMI-UHFFFAOYSA-N	306.322	1.330	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)CNC(=O)c2ccco2)c(F)c1	772841661	IIADPUOGXVHONH-UHFFFAOYSA-N	314.276	1.170	50	20	DDGD	
N#CSCCCNC(=O)CCCNC(=O)c1ccsc1	773589028	SLZWYVHKPOCKOH-UHFFFAOYSA-N	311.432	1.979	50	20	DDGD	
CSc1ccccc1CC(=O)NNc1nnc(C)c(O)n1	777522240	MYELZGVFEIXACV-UHFFFAOYSA-N	305.363	1.293	50	20	DDGD	
CSc1c(F)cccc1C(=O)NNC(=O)C1CCOCC1	883069819	XKHJBMKNJUXQFU-UHFFFAOYSA-N	312.366	1.735	50	20	DDGD	
Cn1ccnc(NNC(=O)CCc2ccc3[nH]ccc3c2)c1=O	776229279	ARUMIRCUJIBKKY-UHFFFAOYSA-N	311.345	1.338	50	20	DDGD	
O=C(NCCc1ccccc1F)NNC(=O)C1CCOCC1	883070210	JACKXMWIDBKIRO-UHFFFAOYSA-N	309.341	1.125	50	20	DDGD	
COC(=O)Cc1cccc(C(=O)NNc2ncc(F)cn2)c1	779035758	HKVICBZSPQGBCP-UHFFFAOYSA-N	304.281	1.088	50	20	DDGD	
Cc1nc(COc2ccccc2C(=O)NN(C)C(N)=O)cs1	778411253	BOOBXQNWAOPBSI-UHFFFAOYSA-N	320.374	1.686	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1c(N)cccc1[N+](=O)[O-]	772861245	ZFMIVJBQGSZVRZ-UHFFFAOYSA-N	316.321	1.847	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccn(C(C)C)n2)cc1O	882049222	MYVMKRQAAJMYDL-UHFFFAOYSA-N	302.334	1.553	50	20	DDGD	
O=S(=O)(CCCCl)NC1CCN(CC(F)(F)F)CC1	881822772	XYZPVWPFTJKWHL-UHFFFAOYSA-N	322.780	1.561	50	20	DDGD	
COc1cccc(NNC(=O)NCCOCC(F)(F)F)n1	779975460	BOFQJDYMNWQGRF-UHFFFAOYSA-N	308.260	1.295	50	20	DDGD	
CC(C)[C@H](Cc1ccccc1)NCC(=O)NNC(=O)C1CC1	886422266	JSSHIWOKMWJEOT-HNNXBMFYSA-N	303.406	1.401	50	20	DDGD	
O=C(NN=Cc1ccc2cnccc2c1)C(=O)Nc1ccccn1	782250154	VLDMTYKWGQGEOU-UHFFFAOYSA-N	319.324	1.719	50	20	DDGD	
C#CCCCC(=O)NNC(=O)COCc1cccc(OC)c1	887142069	UUWKSZQKVNCDGZ-UHFFFAOYSA-N	304.346	1.163	50	20	DDGD	
COc1ccc(C)cc1CNS(=O)(=O)CBr	782410623	CVKZOIRCSWFZDJ-UHFFFAOYSA-N	308.197	1.775	50	20	DDGD	
CC(C)[C@@H](F)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O	784764743	LHWMFKKTZCNJJD-GFCCVEGCSA-N	320.324	1.333	50	20	DDGD	
COc1cc(NNC(=O)N[C@@H]2CCN(C)C2=O)ccc1Cl	789036762	INDQFMMXHFJWEK-SNVBAGLBSA-N	312.757	1.205	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2c(C)ccn2C)c1	784294357	KPIOPWNVTOXAQT-UHFFFAOYSA-N	317.345	1.426	50	20	DDGD	
O=C(NNC(=O)[C@@H](F)C(F)(F)F)c1ccc2ccccc2n1	788267241	LFRCHKMYTGLYAL-SNVBAGLBSA-N	315.226	1.896	50	20	DDGD	
C[C@@]1(COC(=O)CN2CCCCC2=O)C[C@@H]1Br	1123141711	MMTXXYGTBZOABI-CABZTGNLSA-N	304.184	1.716	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1ccccc1OCC(=O)OC	899335996	NTHZUXOCCRLBSW-UKTHLTGXSA-N	319.313	1.335	50	20	DDGD	
CON(C)C(=O)CNCc1ccc(OCCCCl)cc1	895046175	FBGAVQGWNXAAFZ-UHFFFAOYSA-N	300.786	1.804	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1ccc(O)cc1O	780906614	ADMMFDJAKKDFLN-UHFFFAOYSA-N	321.358	1.346	50	20	DDGD	
CC(C)c1ccccc1NC(=S)NNC(=O)CCCC(N)=O	787887247	UMIFVZKFYILZAA-UHFFFAOYSA-N	322.434	1.783	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CN1CCc2ccccc21	899992268	UURGOJVAOTUWGZ-UHFFFAOYSA-N	306.435	1.343	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CCc2cc(C)on2)cc1	891957910	PGRKORGEZNTEMP-UHFFFAOYSA-N	316.361	1.484	50	20	DDGD	
COc1cc(CC(=O)NNC(=S)NC(C)(C)C)ccc1O	899996972	ATIKTPCITUCUTP-UHFFFAOYSA-N	311.407	1.237	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ncc(C)cc2C)cc1	780331393	SOBRIQLAHBTYAU-UHFFFAOYSA-N	312.373	1.880	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NCCN2CCOCC2)cc1	780815905	QXTPUVCERKCXGN-UHFFFAOYSA-N	320.437	1.942	50	20	DDGD	
Cc1ccccc1[C@H](CO)NS(=O)(=O)CBr	782464894	SWRVVNHDNMXEQD-JTQLQIEISA-N	308.197	1.300	50	20	DDGD	
Cc1cccc(OCC(=O)NN=C2CCCc3nn(C)cc32)c1	794468855	LQCIUVDQQVJVGU-UHFFFAOYSA-N	312.373	1.964	50	20	DDGD	
CCNC(=O)N1CCN(C[C@@H](CBr)C2CC2)CC1	721660046	BINFEFYVEUBUGR-GFCCVEGCSA-N	318.259	1.755	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccoc1)c1ccc2ccccc2n1	795277274	GBMSULCLVUMWHT-UHFFFAOYSA-N	317.326	1.451	50	20	DDGD	
C#Cc1cncc(C(=O)NNC(=O)c2cccc(N(C)C)c2)c1	798149997	BYAXAOCOTQRVEF-UHFFFAOYSA-N	308.341	1.204	50	20	DDGD	
Cc1ccc(C)c(S(=O)(=O)NNC(=O)c2cccc(C)n2)c1	794599563	JWMRYBZZKSBITM-UHFFFAOYSA-N	319.386	1.630	50	20	DDGD	
Cn1ncc2c1C[C@H](C(=O)NN=c1cc[nH]c3ccccc13)CC2	799101339	YQBDIUYAYTULKA-GFCCVEGCSA-N	321.384	1.638	50	20	DDGD	
CC[C@@H](NNC(=O)c1cnn(-c2ccccc2)c1)C(=O)OC	790445851	VVDWGAUJNLXSBO-CYBMUJFWSA-N	302.334	1.058	50	20	DDGD	
CCCOc1ccc2c(c1)C(=NNC(=O)C(=O)OC)CCO2	1319346969	VHRICHQSBXVFFB-UHFFFAOYSA-N	306.318	1.251	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCOc1ccc2c(c1)CCC2	1317920395	ITCKOXRLQIJCJO-UHFFFAOYSA-N	319.405	1.931	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccc(SC(F)(F)F)cc1	1320566801	JPRPKIQUVBVNGD-UHFFFAOYSA-N	323.296	1.834	50	20	DDGD	
Cc1nc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)ccc1C#N	1324988686	HMFNKJLEFHEARU-UHFFFAOYSA-N	319.324	1.860	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CCc3nncn3C2)cc1Cl	1326425162	DWXQBSCQSYXCQU-SNVBAGLBSA-N	305.769	1.946	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ncoc1[C@@H]1CCCO1	1320708521	YSJTUWYDEPDOAL-VIFPVBQESA-N	314.305	1.326	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1ccoc1Cl	1321157095	KXDQWFBPYZYKAC-UHFFFAOYSA-N	308.725	1.610	50	20	DDGD	
CC(=NNC(=O)CCN1CCC(C)CC1)c1cc(CO)on1	1324677677	YNNHBBDNQKDPRB-UHFFFAOYSA-N	308.382	1.129	50	20	DDGD	
Cc1cnc(COCC(=O)NNC(=O)c2ccccc2Cl)o1	1258437789	VBVXBWHWSDCZKU-UHFFFAOYSA-N	323.736	1.614	50	20	DDGD	
CN1CCC[C@H]1c1cc(C(=O)NN=c2cc[nH]cc2Cl)n[nH]1	1339408994	LPASEOYGHBQRDF-ZDUSSCGKSA-N	320.784	1.404	50	20	DDGD	
CCCn1cc(C(=O)NNC(=S)NCC2CCC2)c(C)n1	1337278039	RITLZCRIKVBSMV-UHFFFAOYSA-N	309.439	1.511	50	20	DDGD	
CCOc1ccc(NC(=O)CCl)cc1S(=O)(=O)N(C)C	1341510003	WSRREUWZLKCBRO-UHFFFAOYSA-N	320.798	1.513	50	20	DDGD	
COc1ccc(COCCC(=O)NNc2ccncn2)cc1	1261268869	YITRPVLXIKWZAI-UHFFFAOYSA-N	302.334	1.535	50	20	DDGD	
NCCCCNC(=O)NNC(=O)Cc1cccc2ccccc12	1261377105	ISLCPDDUQRAWBY-UHFFFAOYSA-N	314.389	1.452	50	20	DDGD	
CO[C@H]1CC(=NNC(=O)c2n[nH]c3c2CCCC3)C12CCC2	1344439850	XWFBOQGFKPOOIM-ZDUSSCGKSA-N	302.378	1.963	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)COCC(F)(F)F)cc1	1602127436	QNIZJPILNOMDSW-UHFFFAOYSA-N	306.240	1.336	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(Cl)cc(C(=O)O)c1	1605550740	BDKHPXNKNMRGOQ-UHFFFAOYSA-N	301.686	1.821	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NNc2ccc(CC(=O)O)cc2)C1	1604734122	MGLAVHRUAGNQKF-LLVKDONJSA-N	319.361	1.015	50	20	DDGD	
O=C(O)c1cccc(COc2ccc(B(O)O)cc2)c1Cl	1602440014	RUAWDFDPBXAKTD-UHFFFAOYSA-N	306.510	1.297	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)c1cnccn1	1606856008	NETUDOGYRKZEMR-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
O=C(O)[C@H]1CC[C@H](C(=O)NNCC(F)(F)C(F)(F)F)CC1	1608820483	YVPRGBWRODZRCG-LJGSYFOKSA-N	318.242	1.696	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2cc(C(=O)O)ccn2)c1	1601088033	NFRMWEDCVFLTBY-UHFFFAOYSA-N	317.692	1.457	50	20	DDGD	
Cc1ncsc1C(=O)NN=Cc1cccn1[C@H](C)C(=O)O	1600759989	BAMZQWJEBYLXQR-SECBINFHSA-N	306.347	1.663	50	20	DDGD	
O=C(O)CCC[C@H]1CCCC(=NNC(=O)N2CCOCC2)C1	1601980932	VHJZDOLVLUUPFS-GFCCVEGCSA-N	311.382	1.829	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2cccc(C(=O)O)c2F)C1	1601145122	OAUJRNKAVUUKIN-RKDXNWHRSA-N	323.324	1.259	50	20	DDGD	
CC[C@H](C)C(C)=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	1603997799	OSMXWHTVIYRXKS-JTQLQIEISA-N	316.365	1.784	50	20	DDGD	
O=C(O)[C@@H](CF)NS(=O)(=O)c1ccc(CCCl)cc1	1601649767	XKKQDPGKGNNWKG-SNVBAGLBSA-N	309.746	1.169	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H](C(=O)O)C(C)C)ccc1C	1604375939	FGTJUISSWZAZRT-LBPRGKRZSA-N	308.334	1.582	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C/c1c(F)cc(-c2nn[nH]n2)cc1F	1609492398	BEWXOTXETRMKMG-UNXLUWIOSA-N	324.254	1.312	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1cscc1-c1nn[nH]n1	1606861828	IDMIJNHSWZMSSN-UHFFFAOYSA-N	305.298	1.219	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1C(=O)O	1600946420	MKGJFGLNJDWNTC-AUWJEWJLSA-N	309.325	1.947	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)ccc1F	1549316623	HIRHPJGGONAUJL-DZGCQCFKSA-N	305.353	1.447	50	20	DDGD	
O=C(NN=Cc1cccnc1Cl)[C@H]1CN2CCC[C@H]2CO1	1549321691	UWPJNQOJMPUZMH-NWDGAFQWSA-N	308.769	1.048	50	20	DDGD	
CC1=C(C)C[C@](C)(C(=O)NNC(=O)NC2CCNCC2)CC1	1576557546	ZHKLGORFWXKQLU-MRXNPFEDSA-N	308.426	1.595	50	20	DDGD	
CC(C)(CN)CC(=O)NNc1cc(Br)ncn1	1575315848	ZAUUAGNOOBWHBL-UHFFFAOYSA-N	302.176	1.057	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C[C@H]2CC[C@@H](N)C2)cc1	1579228516	PIGJHYUSPCGJIL-WDEREUQCSA-N	306.366	1.365	50	20	DDGD	
CO[C@H]1CN[C@](C)(C(=O)NNc2cccc3cnccc23)C1	1578949514	WEJLLFYLRCWBSU-WBMJQRKESA-N	300.362	1.445	50	20	DDGD	
C=CCn1cc(C(=O)NNc2ccc(C)c(C(=O)O)c2)nn1	1588910431	YBYNFTZPZJOFPM-UHFFFAOYSA-N	301.306	1.228	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCO1)c1ccccc1OCC(=O)O	1589012343	ICYROBNBULRRAM-CYBMUJFWSA-N	306.318	1.169	50	20	DDGD	
CC1(C)C[C@]1(C(=O)O)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	1589219053	HILSCPVTZJSQIZ-CYBMUJFWSA-N	311.269	1.678	50	20	DDGD	
CO[C@H](C)C(=O)N1CCCC12CN(C(=O)C(C)(C)CCl)C2	1846401144	LZIKTMRJQORCRP-LLVKDONJSA-N	316.829	1.490	50	20	DDGD	
O=C(NNC(=O)[C@@H]1NCC12CCCC2)c1ccc(Cl)nc1	1580735758	DPYJYOBURCRUAT-NSHDSACASA-N	308.769	1.028	50	20	DDGD	
COc1cc(C)ccc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1591520906	CTFBIBOAHHGTCY-UHFFFAOYSA-N	324.344	1.941	50	20	DDGD	
C[C@H](Cc1ccc(C#N)cc1)C(=O)NNc1ccc(C(=O)O)cn1	1592833374	GZZRVPXEZUVBNV-LLVKDONJSA-N	324.340	1.973	50	20	DDGD	
Cn1c(NNC(=O)[C@]2(C(=O)O)CC2(C)C)nc2ccccc21	1594522376	UWADFRKBIBZLMF-HNNXBMFYSA-N	302.334	1.517	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@](C)(C#N)CC(=O)O)cc1F	1593882875	DGDCSOZGVYBUIF-CQSZACIVSA-N	323.280	1.060	50	20	DDGD	
CNC(=O)/C(C#N)=C\c1ccc(N2CCC(C(=O)O)CC2)o1	1593788545	HDNSIYVCVAQIJN-FLIBITNWSA-N	303.318	1.234	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1ccc2oc(C(=O)O)cc2c1	1777033722	DPSRZNVGXCXMSF-WDZFZDKYSA-N	320.326	1.887	50	20	DDGD	
CC(=NNC(=O)c1ccc(C(=O)O)cc1)c1cn(C)c(C)n1	1776100551	NTCIQQUSDVWJEQ-UHFFFAOYSA-N	300.318	1.581	50	20	DDGD	
COCCCNC(=O)NN=Cc1cc(C(=O)O)ccc1OC	1776039499	DMHCVXNKQODXNU-UHFFFAOYSA-N	309.322	1.063	50	20	DDGD	
Cc1occc1C(=O)OCC(=O)NNC(=O)c1cccs1	17276216	DATPATKGFHAEHW-UHFFFAOYSA-N	308.315	1.268	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCc2cccs2)nc1	160400018	OYUQUZOSFGYCLH-UHFFFAOYSA-N	304.375	1.638	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1nc2nccc(C)n2n1	160744582	AYILPISCGVMZSC-UHFFFAOYSA-N	300.297	1.637	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2cccc(N(C)C)n2)n1	164395278	CYIUPXJIGMJROO-UHFFFAOYSA-N	315.381	1.381	50	20	DDGD	
O=C(NCc1ccncc1)NNc1ncnc2ccsc12	151358589	XUXBIRCZRIRASW-UHFFFAOYSA-N	300.347	1.913	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)Nc2ccc(F)c(F)c2)nn1	152961886	VFWJPRNTIYJXOY-UHFFFAOYSA-N	308.248	1.002	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(C(N)=O)nn2)cc(C)c1F	153750507	BHENASLUJSLPJV-UHFFFAOYSA-N	303.297	1.088	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C[C@H](C)c2ccc(F)cc2F)[nH]n1	154210132	JJYBVYPWFGRJOL-QMMMGPOBSA-N	322.315	1.951	50	20	DDGD	
O=S(=O)(CCCCCl)NC[C@@H](O)c1ccc(F)cc1	154309911	CFEFNPDWXOFMNE-GFCCVEGCSA-N	309.790	1.798	50	20	DDGD	
COc1ccc(NNC(=O)CSCc2ccncc2)nc1	159154081	FZCCFHKXGXSDLG-UHFFFAOYSA-N	304.375	1.862	50	20	DDGD	
CCN(CC)CCSCC(=O)NNc1ccc(OC)cn1	159384370	PPUGPVSYWSZTMM-UHFFFAOYSA-N	312.439	1.608	50	20	DDGD	
CCN(CC)[C@@H]1CCN(S(=O)(=O)CC(C)(C)CCl)C1	866895463	URSXNDVDQVYKIA-GFCCVEGCSA-N	310.891	1.997	50	20	DDGD	
O=C(CCc1ccncc1)NNC(=O)NCCc1cccs1	104328735	WCIUVZMKIUAGMH-UHFFFAOYSA-N	318.402	1.649	50	20	DDGD	
O=C(CCCNC(=O)C1CC1)NNc1cc(F)c(F)cc1F	172087388	DVQCFVOQNWABBR-UHFFFAOYSA-N	315.295	1.853	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCC(C)(C)N1C[C@H](C)O[C@H](C)C1	22731441	UMXFONSFZOUORX-DAYCUQBRSA-N	309.410	1.434	50	20	DDGD	
O=C(NNC(=O)c1cnn(-c2ccccc2)c1)c1ccc(O)nc1	112824027	LXEQFQAXKJWKRM-UHFFFAOYSA-N	323.312	1.048	50	20	DDGD	
CN1CCC(CCNC(=O)NNc2cccc(C#N)c2)CC1	103320519	DIZLPMNSFVPGFU-UHFFFAOYSA-N	301.394	1.916	50	20	DDGD	
COc1ccccc1[C@@H](C)CC(=O)NNC(=O)c1cnn(C)c1	117678490	FLWLRAJAFMDKNU-NSHDSACASA-N	316.361	1.384	50	20	DDGD	
COCCOCCC(=O)NNC(=O)c1ccc2ccccc2n1	67914843	AQUUHOZAIMJRRZ-UHFFFAOYSA-N	317.345	1.049	50	20	DDGD	
Cc1nn2cccnc2c1C(=O)NNc1ncccc1Cl	114886048	WPJZIHWHEOVBJX-UHFFFAOYSA-N	302.725	1.843	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC(C)(C)[C@@H]2CCC[C@@H]21	1340402203	VZBMFZTZZVVLDG-LOWDOPEQSA-N	309.410	1.663	50	20	DDGD	
Cc1ncncc1C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	112825064	KSAVELONMFIRFM-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cccnc1	68764946	BOCRJNVXUUUDJO-JTQLQIEISA-N	303.293	1.449	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)CN2CCCCC2=O)nn1	118523970	LDQCOOXXZPXRDZ-UHFFFAOYSA-N	305.382	1.230	50	20	DDGD	
C[C@@H]1CCC[C@H](C(=O)NNC(=O)Cc2cn3ccccc3n2)C1	173880159	MDARULOCTZFXPH-OLZOCXBDSA-N	314.389	1.851	50	20	DDGD	
C[C@H]1CCCCN1C(=O)NNC(=O)COCc1ccccc1	127459333	UCFBDFYWJKGBLV-ZDUSSCGKSA-N	305.378	1.818	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cccc(Cl)c2C)nn1	123829417	UNZSFWOLXLJOQY-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
C=C(C)CN1CCC(NC(=O)NNc2cccc(OC)n2)CC1	181218102	JHKGFUVPORMWJH-UHFFFAOYSA-N	319.409	1.757	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](C1CCCC1)C(F)(F)F	127715093	IFCLTDLFJLOIBF-JTQLQIEISA-N	311.304	1.474	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1cccn1C	302670015	WCLYSWOXSLPRFX-JTQLQIEISA-N	321.764	1.907	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1	32262911	IUEKVBMZHAOYJP-JTQLQIEISA-N	303.145	1.933	50	20	DDGD	
CCc1[nH]c(C(=O)NNc2ncccn2)c(C)c1C(=O)OC	124018330	MCLSWGCRMZFCRF-UHFFFAOYSA-N	303.322	1.219	50	20	DDGD	
CCN1C[C@@H](C(=O)NNc2ccc(OC(F)F)cc2)CC1=O	122414245	LCBTUQWSYUQRME-VIFPVBQESA-N	313.304	1.600	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(C(C)C)nc2onc(C)c12	122922506	NIKYKDSNZROWOC-UHFFFAOYSA-N	305.338	1.619	50	20	DDGD	
COc1cccc(NNC(=O)Cc2cc(F)ccc2OC)n1	186736872	JUHOZNBWPKTCRR-UHFFFAOYSA-N	305.309	1.924	50	20	DDGD	
CCCCOC(=O)CNC(=O)c1c(C)nn(CCCl)c1C	73455725	ZGZFTHKVPICQRO-UHFFFAOYSA-N	315.801	1.812	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CCc1nnc(-c2ccccc2)o1	77219679	WWWNTFWNMGJXST-UHFFFAOYSA-N	316.361	1.863	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1ccc2c(c1)CCC2	182884707	PCLDRPDCIFIMBB-UHFFFAOYSA-N	310.357	1.966	50	20	DDGD	
C=C(C)CN(C)C(=O)NNC(=O)c1c(C)nc2ccccn12	180306585	NJEQRBRYTJTFLU-UHFFFAOYSA-N	301.350	1.505	50	20	DDGD	
COc1cccc(NNC(=O)[C@H]2CCCN2C2CCOCC2)n1	180740764	HITXMDWDXZRHPJ-CYBMUJFWSA-N	320.393	1.177	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCC2CCCC2)c1	46887377	CVKHOMYQUYNOKU-UHFFFAOYSA-N	305.378	1.894	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)CO)c1ccccc1C(F)(F)F	180949287	GYLDQCVYEPPLNJ-QMMMGPOBSA-N	304.268	1.339	50	20	DDGD	
Cn1ncc2c1CCC[C@@H]2NC(=O)NNC(=O)c1ccccc1	47003449	CNIUGTGQNIBPAW-ZDUSSCGKSA-N	313.361	1.442	50	20	DDGD	
COc1nccnc1NNC(=O)CCC(=O)c1ccccc1	131954910	JVXKLEYCMWARFU-UHFFFAOYSA-N	300.318	1.591	50	20	DDGD	
Cc1cc(C(=O)NNc2nc3ccccn3n2)nn1C(C)(C)C	191890326	MLMLRMCJZKNAPZ-UHFFFAOYSA-N	313.365	1.746	50	20	DDGD	
CC1(C(=O)NNC(=O)CNC(=O)c2ccco2)CCCCC1	132829709	GNNRNSJRXNHPBC-UHFFFAOYSA-N	307.350	1.127	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2c[nH]c3ccccc3c2=O)n1	42029259	LQQRIOBQXKJXPD-UHFFFAOYSA-N	309.329	1.692	50	20	DDGD	
Cc1ccn(CC(=O)NNc2ccc3ccccc3n2)c(=O)c1	192454615	VTLRLJOPGSYACE-UHFFFAOYSA-N	308.341	1.848	50	20	DDGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cc[nH]n1	48016876	KSCKKNYWUWHRCC-LLVKDONJSA-N	324.340	1.791	50	20	DDGD	
C=CC[C@H](C)NC(=O)NNC(=O)Cc1cn2ccccc2n1	83230088	AOKLZCQKWZHLKG-NSHDSACASA-N	301.350	1.172	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)C(=O)Nc1ccnn1C	130140542	DKLPDWAJKYQLAR-UHFFFAOYSA-N	324.344	1.359	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)Cn1cccn1	192870362	MDUBCZHTOJMTJU-UHFFFAOYSA-N	308.341	1.426	50	20	DDGD	
O=C(Cc1cccc(F)c1F)NNC(=O)c1ccccc1O	88252288	KPPJGHUTYSUIOG-UHFFFAOYSA-N	306.268	1.674	50	20	DDGD	
NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1	194392872	DQQJDBOWKVBXCK-ZDUSSCGKSA-N	307.353	1.601	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2C[C@H](C)OC(C)(C)C2)cc1	140717255	IBDMBAVVSNFNAA-ZDUSSCGKSA-N	319.405	1.255	50	20	DDGD	
C[S@](=O)c1ccc(NC(=O)NNc2cnccn2)cc1F	92765716	BLIAIFWUJASJES-OAQYLSRUSA-N	309.326	1.502	50	20	DDGD	
CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NNc1ncccn1	264456312	OXEIOVLVEIXFID-SNVBAGLBSA-N	323.422	1.257	50	20	DDGD	
CC(C)(C(=O)NNc1ccccc1C(F)(F)F)S(C)(=O)=O	264933532	WWVWUJYSUQGMMX-UHFFFAOYSA-N	324.324	1.972	50	20	DDGD	
O=C(CCc1nccs1)NNC(=O)CCc1ccccc1O	264367949	IKDZJDXZFKDTNE-UHFFFAOYSA-N	319.386	1.562	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@@H](CO)c1c(F)cccc1F	272436064	OSNBGGCWWYHIBN-JTQLQIEISA-N	315.320	1.375	50	20	DDGD	
CN(NC(=O)NCCCCCS(C)(=O)=O)c1ccccc1	274957332	SRWUHRXRMAYQMT-UHFFFAOYSA-N	313.423	1.552	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNc1ccc(-n2ccnc2)nn1	278773206	YISLSZVXWZYSDQ-NSHDSACASA-N	302.338	1.087	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](c1ccccc1)N(CC)CC	272704566	VQYLDEBEHDTLCD-CQSZACIVSA-N	306.410	1.762	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	272098270	KXXFNTWUTWBMBV-RISCZKNCSA-N	322.361	1.037	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C(C)(C)COC	270136087	QMNJLORIJWCXNY-UHFFFAOYSA-N	324.377	1.284	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNc2nc(O)c3ccccc3n2)CCO1	272077123	QMDGZDZRPUQHRI-VHSXEESVSA-N	302.334	1.594	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H](C(=O)NNC(=O)Cc2ccncc2)C1(C)C	275753033	JMDLSLTYOQJWPJ-AAEUAGOBSA-N	317.389	1.413	50	20	DDGD	
Cc1cncc(NC(=O)C(=O)NNC(=O)CC2CCCC2)c1	274035377	DVSAKRNXZBOCFI-UHFFFAOYSA-N	304.350	1.056	50	20	DDGD	
NNC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1	272639176	OBKOBNSQKNKMST-NSHDSACASA-N	304.177	1.357	50	20	DDGD	
CO[C@H](C(=O)NNC(=S)NCCSC)c1ccccc1	271371448	GDTVOXJXAVOPHT-NSHDSACASA-N	313.448	1.232	50	20	DDGD	
CCCC[C@H](NNC(=O)CCOc1ccccc1)C(=O)OC	270596472	UPJZRYQQSWVASF-AWEZNQCLSA-N	308.378	1.808	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1cccc(Br)n1	272132468	XCQRSVSCYPMKPA-NTMALXAHSA-N	324.178	1.904	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1cccc(F)n1)N1C[C@H](C)O[C@H](C)C1	286566785	LELSJEPORVOZGV-ZOWXZIJZSA-N	324.400	1.798	50	20	DDGD	
CCc1c(C(=O)NNC(=O)COCc2ccccc2)ccn1C	289987705	HARIJKSNPFKCSJ-UHFFFAOYSA-N	315.373	1.565	50	20	DDGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNC(=O)c2ccccc2O)C1	280905471	GBXUPDVBNWVLNC-VXGBXAGGSA-N	306.362	1.749	50	20	DDGD	
Cc1noc(C)c1C(C)(C)C(=O)NNC(=O)NCC(F)(F)F	281381389	XGBAPTOXLDQPNR-UHFFFAOYSA-N	322.287	1.462	50	20	DDGD	
CC(C)n1cnc(C(=O)NNC(=O)CCc2ccccc2O)c1	282108777	WTPHJZKIBPKHHX-UHFFFAOYSA-N	316.361	1.563	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1ocnc1C1CC1	289043369	BRAHEMSZJMRSNO-UHFFFAOYSA-N	300.318	1.425	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCC(CF)CC1	296561310	GOBMHLKAAYLIGP-UHFFFAOYSA-N	309.341	1.731	50	20	DDGD	
COCCCn1nccc1/C=C(/C#N)C(=O)C1CCOCC1	802706592	SOZMJHVUBQEKCJ-KAMYIIQDSA-N	303.362	1.822	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H](OC)c2cnn(C)c2)cc1	294223416	FGJTVGFKWYLFKT-AWEZNQCLSA-N	304.350	1.650	50	20	DDGD	
C[C@H]1CCCN(c2cc(C(=O)NNC(=O)C3CCC3)ccn2)C1	291676512	KWPWWCBZOYYMIA-LBPRGKRZSA-N	316.405	1.879	50	20	DDGD	
Cc1cnc(COCC(=O)NNc2nc3ccccc3[nH]2)o1	807173743	NJRHTNIEOHMZJI-UHFFFAOYSA-N	301.306	1.519	50	20	DDGD	
O=C(CCCOc1ccccc1)NNC(=O)[C@H]1CCCCO1	295559675	MPXPAROCWDGZAB-CQSZACIVSA-N	306.362	1.562	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNC(=O)c2ccccc2C)sn1	806975617	HUEMXQWWFFRXPM-UHFFFAOYSA-N	318.358	1.160	50	20	DDGD	
CC1(C)CCC[C@H]1CNC(=O)NNC(=O)Cc1cccnc1	296194243	CBBUSIKBERVTCJ-ZDUSSCGKSA-N	304.394	1.781	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(CSc2nnc[nH]2)cc1	293657179	PFCMRHFHQFJJOF-UHFFFAOYSA-N	321.406	1.320	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C[C@H]1COc2ccccc2O1	294588018	YKUMKOJZDLWQJE-NSHDSACASA-N	315.329	1.016	50	20	DDGD	
O=C(NNc1cccc2cnccc12)[C@@H]1OC[C@H]2COCC[C@@H]21	291355141	SQOQDBPJIMYVEE-IVMMDQJWSA-N	313.357	1.729	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCNC(=O)C(C)C)cc1	297646046	IBWOWKGDSINXTE-UHFFFAOYSA-N	308.382	1.484	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@@H]1CC(=O)N(C2CC2)C1	805465158	VQHQBTNTKMAAGN-LLVKDONJSA-N	315.377	1.198	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1cccc(N2CCNC2=O)c1	299151673	UBASZQKDHITBKL-UHFFFAOYSA-N	319.365	1.415	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCc2cncn2C)cc1	291802672	HJKUYMTYXMUGJW-UHFFFAOYSA-N	301.350	1.127	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CCC(C)(C)[N+](=O)[O-])n1	295017793	RGRRAVMYXRJULL-UHFFFAOYSA-N	324.385	1.601	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H]1CCCN(c2ccccc2)C1=O	294241254	SDQAWJYKMXVENF-CQSZACIVSA-N	315.373	1.377	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cncc(F)c2)cc1	802057418	QXZOYEWRSRRMDB-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
Cn1c(NNC(=O)CCCCCC#N)nc2ccccc2c1=O	806853376	ULWWTPVLQUJJAH-UHFFFAOYSA-N	313.361	1.851	50	20	DDGD	
CN(C)CCn1nccc1NC(=O)NNc1ccccc1F	297393202	MRZJOJXOQOPUAJ-UHFFFAOYSA-N	306.345	1.732	50	20	DDGD	
CCC(=O)N[C@@H](CCSC)C(=O)NCCSSC	803480130	XHMSBDDSCVIUNB-VIFPVBQESA-N	310.510	1.762	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2cnccc2OC)n1	293913056	AKFOEGOFJCWXNY-UHFFFAOYSA-N	318.337	1.024	50	20	DDGD	
O=C(NNc1cnccn1)c1c[nH]c2c(F)cc(F)cc2c1=O	806862047	YFCZEKNLPAQSPB-UHFFFAOYSA-N	317.255	1.353	50	20	DDGD	
CS[C@@H](C(=O)NNC(=O)N=c1cc[nH]cc1)c1ccccc1	802029120	MMYGJTXBXFVNLP-CYBMUJFWSA-N	316.386	1.761	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)c1cn(C)c(C)n1	800814549	XBQPCCZUXUFBPE-UHFFFAOYSA-N	315.333	1.972	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2nccnc2C2CCC2)cn1C	805462944	WOAOCAUURZTVIJ-UHFFFAOYSA-N	313.361	1.508	50	20	DDGD	
CC[C@H](C=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1	814814365	IJNDFBPHRAVMDT-OCCSQVGLSA-N	323.418	1.652	50	20	DDGD	
COc1cc(C(=O)NNc2cnnn2C)ccc1OC(F)F	816769367	FABQPGSLFRATMU-UHFFFAOYSA-N	313.264	1.182	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)c1cccc(CO)c1	813488277	SHTSWUXXKPOWPQ-UHFFFAOYSA-N	300.343	1.941	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(C(=O)OC)cn2)ccc1O	813500258	AZQMIRZAYYZQAG-UHFFFAOYSA-N	315.329	1.893	50	20	DDGD	
CC(=O)NNC(=O)c1ccn(-c2ccc(Br)cc2)n1	814195751	BYHGHQNMVFSJQD-UHFFFAOYSA-N	323.150	1.416	50	20	DDGD	
CCCN1C[C@@H](CNC(=O)NNc2cccc(F)n2)CC1=O	817172959	KICGUUWMXWJTTL-SNVBAGLBSA-N	309.345	1.105	50	20	DDGD	
CCn1nncc1C(=O)NNC(=O)c1ccc2ccccc2c1	815050444	AFNIOMAUPMTZQZ-UHFFFAOYSA-N	309.329	1.526	50	20	DDGD	
O=C(O)c1cccc(C=NNC(=O)c2ccc3c(c2)OCO3)c1	814699746	INMFYDBYJLGBLJ-UHFFFAOYSA-N	312.281	1.877	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc(-c2ccncc2)c(C)c1	815563751	MVZYKEYFVQTDMA-UHFFFAOYSA-N	312.329	1.163	50	20	DDGD	
O=C(O)COc1cccc(C=NNC(=O)N=c2cc[nH]cc2)c1	815002391	YQNAOEKUWDNHHL-UHFFFAOYSA-N	314.301	1.123	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=C2CCS[C@@H]2C)C[C@@H](C)O1	814766358	IHVSUBDEQIFTRI-WUHRBBMRSA-N	313.467	1.729	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)N[C@@H]1CCc2n[nH]cc2C1	814313562	YAGSLJOCJJOUKE-SECBINFHSA-N	306.757	1.642	50	20	DDGD	
COCC[C@@H](C)NC(=O)NNC(=O)COc1ccc(C)c(C)c1	726261766	USFQHQRMKKZOTO-CYBMUJFWSA-N	323.393	1.438	50	20	DDGD	
C[C@H]1C(=NNC(=O)c2cnn(C)c2)CC[C@H](C(=O)O)C1(C)C	814852469	ZZYXAMLVNBDJFB-GXSJLCMTSA-N	306.366	1.663	50	20	DDGD	
CC(C)(O)CN1CCC(=NNC(=O)c2ccc(O)c(O)c2)CC1	814230757	YNOINSIKCZNAFW-UHFFFAOYSA-N	321.377	1.050	50	20	DDGD	
CC[C@H](C)Oc1cc(C=NNC(=O)CN(C)C)ccc1OC	727647842	KMJMWFZCPRMMCS-LBPRGKRZSA-N	307.394	1.884	50	20	DDGD	
CC(C)c1cnc(C=NNC(=O)CNC(=O)c2ccco2)s1	814826874	KSMCPPFICYFMLF-UHFFFAOYSA-N	320.374	1.740	50	20	DDGD	
COc1ccc(NNC(=O)CCNC(=O)c2ccco2)cc1	729273999	KMFBDCAEMUAXOH-UHFFFAOYSA-N	303.318	1.551	50	20	DDGD	
COc1ccc(C(=O)NN(C)[C@@H](C)CO)c(OC(F)F)c1	823928757	RCQOMLWISMRMAL-QMMMGPOBSA-N	304.293	1.254	50	20	DDGD	
CC/C=C(\C)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C	491498641	JVDWKXBCXLGUIO-JXMROGBWSA-N	314.386	1.198	50	20	DDGD	
CCN(CCO)NC(=O)c1cnn(-c2ccccc2)c1C1CC1	823846308	IEGLTFSUQDVVMC-UHFFFAOYSA-N	314.389	1.709	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCCNC(=O)OC)cc1	491173758	FJJXGEFVZKCCMU-RAXLEYEMSA-N	317.345	1.464	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1cnccc1-c1ccccc1	495853606	AKCUWGZBRFRSRN-UHFFFAOYSA-N	314.301	1.074	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2CCOCC2)c2ncccc12	829558034	WBMYAHNEOADXRV-UHFFFAOYSA-N	313.357	1.731	50	20	DDGD	
CCC(=NNC(=O)OC)c1ccc(Cl)c(S(N)(=O)=O)c1	492151156	UQXHDJGODBNEMI-UHFFFAOYSA-N	319.770	1.458	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)nc(N)n1	828372224	VAEKJJVJLJOTCR-MWLCHTKSSA-N	319.315	1.892	50	20	DDGD	
COCCCNC(=O)NN=CC(C)(C)NC(=O)OC(C)(C)C	495786376	MHGGCLWPRDXXQF-UHFFFAOYSA-N	316.402	1.611	50	20	DDGD	
CCOc1ccc(NNC(=O)C(C)(C)CN2CCOCC2)cc1	823168650	DWGQEAQVZRGDEI-UHFFFAOYSA-N	321.421	1.887	50	20	DDGD	
Cc1ccc([C@@H]2C[C@H]2NC(=O)NNC(=O)Cc2ccncc2)cc1	827414841	KSCOQORKFJWWKY-JKSUJKDBSA-N	324.384	1.819	50	20	DDGD	
Cc1cccc(C)c1[C@@H](C)NCc1ccc(B(O)O)cc1F	585034010	DXHQEYXXTJCLOX-CYBMUJFWSA-N	301.170	1.973	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CSC(c2ccccc2O)=N1)C1CCC1	827216117	KLSBGHLZMBFGCR-NSHDSACASA-N	319.386	1.202	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCC[C@H]1COc2ccccc2O1	491177876	ZMJKODDUBJYBIT-XSNHNAGMSA-N	302.330	1.777	50	20	DDGD	
CCn1cc(C(=O)N2CC[C@H](B(O)O)C2)c(-c2ccccc2)n1	902552476	MTKZMJRUVOSTIK-ZDUSSCGKSA-N	313.166	1.259	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2CCCOc3c(F)cccc32)c1	585034017	MEIASKQVBUDWOU-MRXNPFEDSA-N	315.153	1.509	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCC(CC(F)(F)F)CC1	584987416	OPYVEMNBEYCZDA-UHFFFAOYSA-N	315.100	1.171	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12	824044080	JRYNZLQOAOVHPW-FRRDWIJNSA-N	317.389	1.691	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cccc2c[nH]nc12	826448725	INVHFPVVUKYWII-UHFFFAOYSA-N	320.316	1.500	50	20	DDGD	
CCN(CCO)NC(=O)CCc1cccc(Br)c1	823834140	SYNHHPTUAUHIOL-UHFFFAOYSA-N	315.211	1.727	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@]1(C)CC(C)=NO1)c1ccccc1	903269445	YJDMRVATFSESIJ-BBRMVZONSA-N	303.362	1.883	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@@]1(CC(=O)O)CCOC1	909698562	LRLCDTOYOZOPNU-JOYOIKCWSA-N	322.199	1.546	50	20	DDGD	
C[C@H](CO[C@@H]1CCOC1)NC(=O)[C@@]1(C)C[C@H]1Br	906946143	WFTVJJWTTWLTDN-BFLSOPEQSA-N	306.200	1.470	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccc(F)cc2)[C@@H]2CCCC[C@@H]2N1	820682474	OHLKCCGVQJFZAS-IHRRRGAJSA-N	305.353	1.964	50	20	DDGD	
C[C@H]1CCC[C@@]1(C)C(=O)NNC(=O)Cc1cn2ccccc2n1	826759627	YDLBFXPELSQOHS-YVEFUNNKSA-N	314.389	1.851	50	20	DDGD	
COc1cccn2ncc(C(=O)NN[C@H](C)C(F)(F)F)c12	826940161	AAMQWCKLORZKLS-SSDOTTSWSA-N	302.256	1.528	50	20	DDGD	
COc1cc(F)ccc1S(=O)(=O)NCCCSC#N	826747095	VVIDPOZQOQDZAX-UHFFFAOYSA-N	304.368	1.717	50	20	DDGD	
O=C(CCN1CCCC1=O)NNc1nccc2sccc12	734249948	KKBGAURAMVDYTQ-UHFFFAOYSA-N	304.375	1.752	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)/C=C\c2ccc(O)cc2)nc1	492614852	QOIULOQEGQSLRH-WTKPLQERSA-N	313.313	1.730	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc(CC(C)C)cc1	901966855	UAZYSRYXAAUBRA-UHFFFAOYSA-N	322.430	1.998	50	20	DDGD	
CCc1nc([C@H](C)NC(=O)c2cc(B(O)O)ccc2F)cs1	584945937	NOBCNIZGFUYNOQ-QMMMGPOBSA-N	322.170	1.015	50	20	DDGD	
COCCN(C)NC(=O)C[C@](O)(c1ccc(C)o1)C(F)(F)F	837627749	YAJSRPSTXASDLX-LBPRGKRZSA-N	324.299	1.337	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NN=Cc1ccc(C#N)o1	491758082	MRUJLDBIBAWLGP-UHFFFAOYSA-N	321.337	1.309	50	20	DDGD	
CCOCCOCCCC(=O)NNc1ncncc1Cl	832672983	YZVPMHWEBARMOG-UHFFFAOYSA-N	302.762	1.406	50	20	DDGD	
COc1ncc(C(=O)NNC(=O)CCCc2ccccc2)cn1	733930873	KZJZHGUSXMFQEL-UHFFFAOYSA-N	314.345	1.269	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H](C)N2CCN(C)CC2)c(Cl)c1	836936436	KSKJVOBXSJEYCM-LBPRGKRZSA-N	310.829	1.727	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)c1cnccn1)c1cccc(Cl)c1	735507895	QULVSPTWEHWTKU-LBPRGKRZSA-N	320.736	1.279	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](NC(=O)c2c(C)nn(CCCl)c2C)C1	839873620	BUWSOXVYLURDIU-PHIMTYICSA-N	313.785	1.420	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1cccc(C(=O)O)c1)N1CCCC1=O	833464725	CGPXFPHJQFUTDO-AWEZNQCLSA-N	319.361	1.475	50	20	DDGD	
N#Cc1ccc([C@@H](NNC(=O)c2ccccc2F)C(=O)O)cc1	739109060	ITBKMSUDSUQSJI-CQSZACIVSA-N	313.288	1.758	50	20	DDGD	
COc1cc(F)ccc1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	831202479	GZHIPIAVRJNPPP-PSASIEDQSA-N	311.313	1.412	50	20	DDGD	
COc1cc(OC)cc([C@H](NNC(=O)CC(C)(C)C)C(=O)O)c1	832057335	OISWZRAACIUQAB-AWEZNQCLSA-N	324.377	1.887	50	20	DDGD	
COc1ccccc1OCCCNC(=O)NNC(=O)C1CCC1	732246403	RUYIPBYFQUOFIR-UHFFFAOYSA-N	321.377	1.595	50	20	DDGD	
CCCCO[C@H]1C[C@@H](NC(=O)c2cccc(B(O)O)c2)C1(C)C	584960919	OWQWNMJXURYMAL-CABCVRRESA-N	319.210	1.080	50	20	DDGD	
Cn1c(=NNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)sc2ccccc21	905842696	DAYHXUHTAOBITQ-OXHMUOHRSA-N	301.371	1.397	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](Cc2ccccc2)C1	732201578	GYWJHEOHSPZKKQ-GDBMZVCRSA-N	317.433	1.887	50	20	DDGD	
CC[C@H]1CCCN(C(C)(C)CNC(=O)NNC(=O)C(C)C)C1	732249709	RPANEWUMXZJYNT-ZDUSSCGKSA-N	312.458	1.873	50	20	DDGD	
O=C1CCSc2ccc(C(=O)NNC(=O)C3CCC3)cc2N1	732142253	SQQRHTGIWAEJMV-UHFFFAOYSA-N	319.386	1.682	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)[C@H]2CCCCO2)ccc1Cl	833243686	WLUJCITYXNEWBD-GFCCVEGCSA-N	307.737	1.542	50	20	DDGD	
C[C@@H](CN(C)c1ccccc1)NCc1ccc(B(O)O)cc1F	585033035	VSFMLYKLJSHIRN-ZDUSSCGKSA-N	316.185	1.120	50	20	DDGD	
Cc1cnc([C@@H](NCc2ccc(B(O)O)cc2)C2CC2)s1	585025294	QKUCVANRBHWENZ-AWEZNQCLSA-N	302.208	1.372	50	20	DDGD	
C[C@H](C(=O)N1CC[C@H](B(O)O)C1)c1ccccc1C(F)(F)F	585067842	WBHVSPYRJVDMNI-UWVGGRQHSA-N	315.100	1.884	50	20	DDGD	
C[C@H](Cc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CCCCO1	833250806	MNSPHYKXXFBKTB-BXUZGUMPSA-N	308.353	1.721	50	20	DDGD	
CC(C)Cn1ncc(C(=O)N2CC[C@H](B(O)O)C2)c1C(F)F	585064600	IBGBHMCZYRXOAS-VIFPVBQESA-N	315.129	1.166	50	20	DDGD	
Cc1nc(Cl)ccc1S(=O)(=O)NCCCSC#N	916992487	MAIVEISTQCSOPN-UHFFFAOYSA-N	305.812	1.926	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1	837311530	XLSSIVMAMDNUOX-YUTCNCBUSA-N	316.357	1.136	50	20	DDGD	
Cc1ccc(-c2cnc(CCC(=O)NN(C)C[C@@H](C)O)o2)cc1	910175792	URQXOAIIAHPJKV-CYBMUJFWSA-N	317.389	1.926	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1scnc1C1CC1	831588644	HGWWVEZLGRKBOQ-VXNVDRBHSA-N	310.379	1.598	50	20	DDGD	
O=C(NNc1cc(O)nc2ncccc12)[C@H]1CCCSC1	913989792	QEIZWGYNFFZAKX-VIFPVBQESA-N	304.375	1.922	50	20	DDGD	
COCc1cc(C(=O)NNc2ncccc2C(F)(F)F)no1	743482673	MBQHFQRSRAIPOX-UHFFFAOYSA-N	316.239	1.992	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)C2CC2)ccc1OC(F)F	916971744	YWUDBBYMOWYGQV-UHFFFAOYSA-N	315.276	1.859	50	20	DDGD	
C[C@H]1[C@@H](Cc2ccccc2)CCN1CC(=O)NNC(=O)C1CC1	746676291	JRFWNQWXFALJKB-XJKSGUPXSA-N	315.417	1.497	50	20	DDGD	
CNc1nc(C)ccc1C(=O)NNC(=S)NCC1CCC1	912108484	ROYNQBOOUOLDRY-UHFFFAOYSA-N	307.423	1.341	50	20	DDGD	
C[C@@H]1CCCC[C@H]1OCC(=O)NNc1ncnc2[nH]cnc12	743471094	QOLQMZQSZINBJG-NXEZZACHSA-N	304.354	1.391	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H](C)NC(=O)CC1CCCCC1	749851352	LFDFKJPAHVFMED-LLVKDONJSA-N	312.414	1.202	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H]2Cc3ccccc3O2)n1	748334855	MYVNNZRFWABYEL-NSHDSACASA-N	304.737	1.885	50	20	DDGD	
C[C@@H](CN1CCCCCC1)C(=O)NN=C1C[C@H](C)n2ncnc21	841613949	JRCJQTGUCWBDFM-STQMWFEESA-N	318.425	1.575	50	20	DDGD	
CC(C)(C)Cc1cc(NC(=O)C(=O)NN)n(-c2ccccc2)n1	841199243	DQZLYRFSFRCUST-UHFFFAOYSA-N	315.377	1.389	50	20	DDGD	
CN(C)CC1(O)CCN(C(=O)[C@]2(C)C[C@H]2Br)CC1	913677323	KIGYDYYKKATGLV-ZYHUDNBSSA-N	319.243	1.075	50	20	DDGD	
CCC(N)(CC)CNC(=O)NNC(=O)CCOc1ccccc1	841950624	AEMPTGSNFVFDOC-UHFFFAOYSA-N	322.409	1.303	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CCC(C)(F)F)c1O	919757296	JZPGKFVZTCSWNX-UHFFFAOYSA-N	302.277	1.597	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C(F)(F)F	742469465	BXEWXAHADHRUCX-XCBNKYQSSA-N	318.251	1.172	50	20	DDGD	
CC(C)Oc1ccccc1C=NNC(=O)CN1CCCC1=O	916358943	ACMQHINPXSSCRO-UHFFFAOYSA-N	303.362	1.546	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1ccc(C)c(C)c1	743446085	MVDWVIDDTFRCFA-UHFFFAOYSA-N	314.345	1.588	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)C1=C(C)C(C)(C)OC1=O	846644566	YSMIARZUVVCIAV-UHFFFAOYSA-N	308.309	1.929	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1cnccc1C	743293870	LGCVMHXHLNWCKK-UHFFFAOYSA-N	314.345	1.272	50	20	DDGD	
Cc1nc(-c2ccccc2)[nH]c1C(=O)NNC(=O)c1ccncc1	916091997	QSBNDMQDXSUSAC-UHFFFAOYSA-N	321.340	1.855	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	843276347	AYINBESOMLLKOL-JOYOIKCWSA-N	309.391	1.438	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CC2(O)CCCC2)cc1	846374139	KKMKTDBQPIJWDM-UHFFFAOYSA-N	306.362	1.540	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)[C@@H]1Cc2ccccc21	742032934	CYQRJXVTIVSKST-CYBMUJFWSA-N	314.316	1.692	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@H]1C[C@@]12CCCNC2	848399469	QAUUUEPCBWNGKA-MLGOLLRUSA-N	313.361	1.569	50	20	DDGD	
N#Cc1cccc(OCC(=O)NNC(=O)CCc2ccccc2)c1	749799126	YBPKITFWBNKDEG-UHFFFAOYSA-N	323.352	1.717	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)[C@@H]1CCCS1(=O)=O	847601375	QMZALFQRPIQDRI-JTQLQIEISA-N	308.281	1.124	50	20	DDGD	
CN(C)c1ccc(CNC(=O)NNC(=O)C2CCCC2)cc1F	746978105	JREUEJUSIJRYPY-UHFFFAOYSA-N	322.384	1.912	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	843649436	VHSDQWGDAYJPOJ-OUCADQQQSA-N	306.362	1.335	50	20	DDGD	
Cc1ccc(F)c(NC(=O)NN(C)C(=O)N2CCNCC2)c1	841009129	JOVWSYZNFLEPEL-UHFFFAOYSA-N	309.345	1.128	50	20	DDGD	
COCC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1)C(C)C	741457788	ZRRBONDETJJYDR-RDBSUJKOSA-N	313.442	1.506	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)NC[C@@H](C)S(C)(=O)=O	921640099	LOQUHZLVKOVHKP-SECBINFHSA-N	319.814	1.708	50	20	DDGD	
O=C(CCn1ccnc1)NNC(=O)c1cc(-c2ccccc2)[nH]n1	920426647	SAXNXTMQYDSKSH-UHFFFAOYSA-N	324.344	1.125	50	20	DDGD	
CC[C@@H](C)n1nc(NC(=O)NNC(=O)c2cnn(C)c2)cc1C	757910709	NSCKKKUFDUCXDZ-SECBINFHSA-N	319.369	1.363	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)c1ccccc1OC	858209945	WNXLHYNLSTWWMC-GFCCVEGCSA-N	317.349	1.514	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F	758443888	ZIHXXZANMLRLSR-MRVPVSSYSA-N	312.301	1.530	50	20	DDGD	
CC[C@@H](C)c1nc(C)c(CC(=O)NN(C)C(=S)NC)c(C)n1	854928892	QNLYTEKQYNCUDK-SECBINFHSA-N	323.466	1.617	50	20	DDGD	
NC(=O)c1cccc(C=NNC(=O)c2ccc(Cl)nc2)c1	755650621	LDLMCGZFPRHRRH-UHFFFAOYSA-N	302.721	1.598	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1	855103598	SBBOYOCCUOFEAH-VIFPVBQESA-N	322.390	1.431	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2nnn(C(C)(C)C)n2)cc1	853272673	VXNRNOTVRLJVRY-UHFFFAOYSA-N	316.365	1.266	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCc2ccc(C(C)C)cc2C1	852406703	VAXPNLYPZCBKFX-UHFFFAOYSA-N	317.433	1.972	50	20	DDGD	
CCn1nccc1C=NNC(=O)c1ccc2c(c1)OCCO2	753698463	WNZQFWNKRIEXNR-UHFFFAOYSA-N	300.318	1.438	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C2CC(F)(F)C2)cc1	753641394	ZHEKSYOLTIVHIW-UHFFFAOYSA-N	312.316	1.821	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)C(C)(C)C)c1cccnc1	853410065	ARDNNPQONIVZGH-UHFFFAOYSA-N	304.394	1.864	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccc2ccn(C)c2c1	756761966	VOBAKCCPRUVGDD-UHFFFAOYSA-N	312.333	1.676	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1c[nH]c2nccc-2c1	855092483	GTQGRYPGUXXNOS-UHFFFAOYSA-N	303.391	1.424	50	20	DDGD	
CC(C)(C)OC(=O)C1(C(=O)NNC(=O)c2ccc[nH]2)CC=CC1	854278449	VPAKITWJAJGZNZ-UHFFFAOYSA-N	319.361	1.454	50	20	DDGD	
O=C(COc1ccc(Cl)cc1)NNC(=O)Nc1cccnn1	757660303	BMAWIXUHVGKEBZ-UHFFFAOYSA-N	321.724	1.362	50	20	DDGD	
COCn1ccc(C(=O)NC[C@@]2(C)C[C@@H]2Br)n1	857386309	SWRNKTVGYMZQBH-GXSJLCMTSA-N	302.172	1.390	50	20	DDGD	
CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)NNC(=O)C(C)(C)C	852084104	QAGVWTSBYQYCQO-MEBBXXQBSA-N	313.398	1.485	50	20	DDGD	
CNC(=S)N(C)NC(=O)Cn1ccc2cc(OC)ccc21	854925449	GWEJFAHNGBGHRT-UHFFFAOYSA-N	306.391	1.117	50	20	DDGD	
CCC1(C(=O)NNC(=O)Cn2cnc3ccccc32)CCC1	751297881	SWSBPCUWDIGPKR-UHFFFAOYSA-N	300.362	1.764	50	20	DDGD	
CSCc1noc(CCC(=O)NCCCSC#N)n1	854361512	DRHAGIMKFTVRCU-UHFFFAOYSA-N	300.409	1.586	50	20	DDGD	
Cc1cc(C(=O)NCCCSC#N)ccc1N1CCNC1=O	854362150	CUUJHIQXFBQTNY-UHFFFAOYSA-N	318.402	1.859	50	20	DDGD	
O=C(NN=Cc1ccc(F)c2cccnc12)C(=O)N1CCCC1	759197754	UNIZTVLMCBNVPA-UHFFFAOYSA-N	314.320	1.446	50	20	DDGD	
C[C@]1(C#N)CCCN(C(=O)NNC(=O)c2cccc(F)n2)C1	852709532	XILKNJRTMGLILL-CQSZACIVSA-N	305.313	1.201	50	20	DDGD	
Cn1cc([C@H](O)C(=O)NNc2ccc(C(F)(F)F)cn2)cn1	857489026	PUTCKPNDIBQNPM-JTQLQIEISA-N	315.255	1.011	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1noc2c1CCCC2)C1CC1	855101918	DCBRCODZVBEACJ-MRVPVSSYSA-N	308.407	1.461	50	20	DDGD	
OB(O)c1ccccc1CNc1ccc(OCC(F)F)cc1	864021616	AOKAKWHXLTYHJY-UHFFFAOYSA-N	307.105	1.622	50	20	DDGD	
COC(=O)C12CC(C(=O)NNCC(F)(F)C(F)(F)F)(C1)C2	863102730	UOGMWTNHKTXCEH-UHFFFAOYSA-N	316.226	1.148	50	20	DDGD	
Cc1cc(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)s1	760254856	WQHBCEXEURCYQH-LLVKDONJSA-N	315.420	1.185	50	20	DDGD	
COCCn1cc(C(=O)NNc2cccc(F)c2Cl)nn1	862507373	BRGJLRXSXCJDMJ-UHFFFAOYSA-N	313.720	1.474	50	20	DDGD	
CC#CCCCC(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	767673709	YHNLBSKDMVTRJP-UHFFFAOYSA-N	316.357	1.493	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc3ncccc23)c(C)nn1	767431269	QFRCXSUASOHKHV-UHFFFAOYSA-N	321.340	1.716	50	20	DDGD	
Cc1onc(-c2ccncc2)c1C(=O)NNC(=O)c1ccccn1	764428520	FCJMAMVCEHKXMC-UHFFFAOYSA-N	323.312	1.515	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H](C)NC(=O)C2CCCC2)c1	862476859	CHOKWEKBNBALTP-SNVBAGLBSA-N	323.418	1.512	50	20	DDGD	
COc1ccc(C(=O)NN=C2CCN3CCC[C@@H]23)cc1OC	765551940	AXPQJUHDQIQLCX-ZDUSSCGKSA-N	303.362	1.658	50	20	DDGD	
C[C@H](NNC(=O)Cc1ccc2c(c1)NC(=O)C2)C(F)(F)F	862318970	UNEVKDURMYWLKX-ZETCQYMHSA-N	301.268	1.295	50	20	DDGD	
CCCCNC(=O)NNC(=O)C[C@H]1COc2cc(OC)ccc21	760383150	UNVRTENFKUKLRW-NSHDSACASA-N	321.377	1.692	50	20	DDGD	
C[C@H](C(=O)NNc1ccc([N+](=O)[O-])cc1F)[C@H]1CCC(=O)N1	862184926	KPQHABCATPUGFA-OIBJUYFYSA-N	310.285	1.092	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)COC2CCC(C)CC2)n[nH]1	869016594	MINJQQGARNFPEB-UHFFFAOYSA-N	308.382	1.003	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCSC1)c1cc(-c2ccccc2)[nH]n1	762134157	WZFHKPRQNLUDDH-NSHDSACASA-N	316.386	1.591	50	20	DDGD	
Cc1occc1C(=O)NCC(=O)NNc1nc2ccccc2[nH]1	768495933	QPRYPTPJWQNUCO-UHFFFAOYSA-N	313.317	1.337	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C[C@H](C)c1ccco1	861576448	DHUGWRMZIDSTOS-NSHDSACASA-N	312.366	1.710	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc2nn(C(C)C)cc2c1	763441476	KEXDVSYRJJKCMW-UHFFFAOYSA-N	317.349	1.113	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cnn(CC(C)C)c1C	764675915	CYTVZEJOJSPPEA-UHFFFAOYSA-N	319.369	1.795	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H](c2ccccc2)C(C)C)n[nH]1	869014246	PUIDFENJFFCGMM-MRXNPFEDSA-N	314.389	1.848	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cccs1)C[C@H]1CCCO1	764216821	YHZCFXAQBPZYSS-LLVKDONJSA-N	311.407	1.010	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cccc(N2CCOC2=O)c1	760923211	SBMUGYSUHNEXBC-UHFFFAOYSA-N	317.280	1.329	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CCc2cnc[nH]2)c(C)c1	873759051	FNNMEWIACMPGED-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
C[C@H](NC(=O)C1CCCCC1)C(=O)NNc1ccc(F)cn1	874651144	JOVABPSGKSXYHK-JTQLQIEISA-N	308.357	1.749	50	20	DDGD	
OB(O)c1cccc(CN[C@H]2CC3(CCC3)Oc3ccccc32)c1	877095260	QDZJRKVGFPFFAD-KRWDZBQOSA-N	323.201	1.903	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H](c1ccco1)N1CCCCC1	874994157	AXFGLQRFMBSCGP-LBPRGKRZSA-N	324.381	1.719	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(C(=O)NC(C)C)cc1	878362367	SWSNFXYOBDQDJR-UHFFFAOYSA-N	308.382	1.440	50	20	DDGD	
CNS(=O)(=O)C[C@H]1CCCN1C[C@@H](C)CBr	770667633	RDOLPHFWBNLMHM-VHSXEESVSA-N	313.261	1.031	50	20	DDGD	
C=C[C@@](C)(O)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874954044	PXNDFPYBYNPBKY-CQSZACIVSA-N	308.407	1.007	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C1=CCOCC1	771601936	PBDFIRFKEYMXKV-JTQLQIEISA-N	308.309	1.087	50	20	DDGD	
CC(C)[C@@H](C(=O)NCCCSC#N)N1C[C@@H](C)O[C@H](C)C1	773587570	JAPAZFMIJZQXJA-MCIONIFRSA-N	313.467	1.841	50	20	DDGD	
CC1(C)C[C@H](C(=O)NNC(=O)c2cccc(Cl)n2)CCO1	1120757255	TZKZDFUEKLEEOG-SECBINFHSA-N	311.769	1.701	50	20	DDGD	
COCCCN(C)c1nnnn1C[C@@]1(C)C[C@@H]1Br	1120324271	IHFUWMCPUZIJAV-GXSJLCMTSA-N	318.219	1.319	50	20	DDGD	
CCc1nn(C)cc1NC(=O)C(=O)NNc1c(F)cccc1F	773708454	CPLWDDCPXUVERP-UHFFFAOYSA-N	323.303	1.343	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cc(C)nc(C)n2)c(F)c1	776152717	LOJOYHRVKWIEFF-UHFFFAOYSA-N	318.308	1.776	50	20	DDGD	
O=C(NNC(=O)c1nccs1)c1cc(-c2ccccc2)on1	770680049	VBQVGNIEAQMTGG-UHFFFAOYSA-N	314.326	1.873	50	20	DDGD	
COc1ccc(CNS(=O)(=O)CCCCl)cc1C#N	882006225	MAADIJFXCQEEES-UHFFFAOYSA-N	302.783	1.615	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NN(C)c2ccccc2)c(C)n1	783434589	RQLACCDFEZTARZ-UHFFFAOYSA-N	314.345	1.505	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1F)[C@@H]1CCS(=O)(=O)C1	885109700	AFTABBIKYDVEMK-SSDOTTSWSA-N	306.746	1.357	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccccc2F)ccn1	789869407	OOOZKMOKTALDGI-UHFFFAOYSA-N	303.293	1.369	50	20	DDGD	
Cc1cnc(Cl)c(NC(=O)C(=O)NNc2ccnc(F)c2)c1	787899458	SUHOKZPVBNYCRE-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
COC(=O)COc1ccc(C=NNC(=O)C2CC2)cc1[N+](=O)[O-]	788699548	YUMZIVZWHAQQDI-UHFFFAOYSA-N	321.289	1.007	50	20	DDGD	
N#Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)CBr	785398283	GADHKWRNTAVBGC-NSHDSACASA-N	315.192	1.817	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2ccc(F)nc2)cc1	783039002	AYPHTIVBXIVFHK-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
C[C@@H]1CCCC(=NNC(=O)CNC(=O)c2cccnc2)[C@@H]1C	781125906	WCNHGBKZHHISKG-VXGBXAGGSA-N	302.378	1.740	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1cccc(OCCN(C)C)c1	785463234	NVKSMUDYBDJCGI-UHFFFAOYSA-N	307.394	1.238	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)n1	780768972	KFDNJTFQJOFNCL-NSHDSACASA-N	320.393	1.570	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccnc1	784828799	KSFKVMTYMDBKON-UHFFFAOYSA-N	301.262	1.072	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NNC(=O)CC(F)(F)F	798117967	QUHLJYKIJYGWMF-WCBMZHEXSA-N	309.288	1.250	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc(OC)cc1F	790393949	MJJPLFQYXZTSDI-MRVPVSSYSA-N	304.343	1.190	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NNC(=O)CNc1ccccc1	895535001	MDQLCSSSQITWHX-CYBMUJFWSA-N	304.394	1.119	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1cnc(Cl)cn1	791071191	YOWQWKNRXMDBDU-UHFFFAOYSA-N	311.660	1.934	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)[C@H]1C[C@@H]1C1CC1	795177188	JXFAOMNMJOXMSS-NEPJUHHUSA-N	323.418	1.426	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1ccc(N)c([N+](=O)[O-])c1	799107019	SFUGIAZVGSUPMK-UHFFFAOYSA-N	300.278	1.121	50	20	DDGD	
C[C@@H](CBr)COC(=O)CCn1cnccc1=O	796325953	CYPHPSLJSPQRGJ-VIFPVBQESA-N	303.156	1.208	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1ccc2ccn(C)c2c1	792378460	UIRNZLRVNXPBIX-UHFFFAOYSA-N	323.356	1.964	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1cccc(C(F)(F)F)c1)C1CCC1	796364570	VQFMGJRHNVOTHH-LLVKDONJSA-N	316.279	1.686	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2cnnn2C)c1C	799098432	IHUFFANDFKGHCQ-UHFFFAOYSA-N	304.379	1.063	50	20	DDGD	
C[C@H]1COC(=O)C1=NNC(=O)c1cc(Br)c[nH]1	794888930	NKPXSNLXNUWDPC-YFKPBYRVSA-N	300.112	1.056	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(F)c(OC)c2)cc1	1319257471	IQLZEOJSOQSUAX-UHFFFAOYSA-N	318.304	1.918	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ncc(C(N)=O)cc1Cl	1319824348	PHQFBTZRZNPHNS-UHFFFAOYSA-N	314.729	1.003	50	20	DDGD	
Cc1nnc(CNC(=O)NNC(=O)c2c[nH]c3ccccc23)o1	1319053394	LNXVGAUDJHXHTK-UHFFFAOYSA-N	314.305	1.004	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCc2c(C)n[nH]c2C)cc1	1318441168	HEXHTENCFVNTGY-UHFFFAOYSA-N	316.361	1.429	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Nc1ccc2c(c1)OCO2)n1ccnc1	1327173135	VCQQVHUPQMTSEP-VIFPVBQESA-N	317.305	1.026	50	20	DDGD	
Cc1cc(C)c(CCNC(=O)NNC(=O)c2cn[nH]c2)c(C)c1	1329710497	LROQEYGNIFYKKH-UHFFFAOYSA-N	315.377	1.522	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H](C)n2ccnc2)cc1	1327413165	RFTRICZJBUQFNE-LLVKDONJSA-N	302.334	1.303	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)Nc1nocc1C	1320139665	MNTADDHTNSVVHL-UHFFFAOYSA-N	320.305	1.223	50	20	DDGD	
CO[C@H](C1CC1)[C@H](C)NC(=O)NNc1nncc(N)c1Cl	1325372268	FCOUHRLWFIJUGZ-WKEGUHRASA-N	314.777	1.152	50	20	DDGD	
O=C(NNc1ccccn1)[C@H]1CCCCN1Cc1cccnc1	1323514027	FYFVVGYKPPEHCG-OAHLLOKOSA-N	311.389	1.974	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(C(F)(F)F)ccn1)[C@@H]1CCC(=O)N1	1329487211	WMFOQSFGOMWDSO-APPZFPTMSA-N	316.283	1.458	50	20	DDGD	
CN(C)c1nccc(NNC(=O)C(C)(C)Oc2ccccc2)n1	1329988233	BRHIYEACRWXSJS-UHFFFAOYSA-N	315.377	1.843	50	20	DDGD	
C[C@H](CNC(=O)c1cccc(CCl)c1)N1CCN(C)CC1	1337128105	VDEATFGQOQBZDN-CYBMUJFWSA-N	309.841	1.791	50	20	DDGD	
Cc1ccncc1/C=C/C(=O)NNc1nncc(N)c1Cl	1337682397	MRVXHXIVKPMEAY-NSCUHMNNSA-N	304.741	1.572	50	20	DDGD	
COC(=O)C(=O)NN=C(C)[C@@H](C)Cc1ccccc1[N+](=O)[O-]	1253755068	HRTOVOAOSYNMSF-VIFPVBQESA-N	307.306	1.439	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1C[C@H]2CCC[C@H]1C2	1343241559	OAHBNJBZULMNBY-RYUDHWBXSA-N	303.362	1.924	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1CCN(c2ccc(C)cc2)C1=O	1349355210	CTWYYEIHSSWVMX-GFCCVEGCSA-N	320.349	1.013	50	20	DDGD	
C[C@H](NC(=O)NNc1cc(F)cc(Cl)c1)c1nnnn1C	1263760553	GLIGGDOSAXJTNO-LURJTMIESA-N	313.724	1.390	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=S)NCC2CCC2)c(F)c1	1358367528	FNHWKKMCXGNOBV-UHFFFAOYSA-N	306.366	1.606	50	20	DDGD	
CN1C(=O)CS/C1=C/C(=O)NNc1ccc(C(C)(C)C)nn1	1353621638	HGWZQVMLOJZIRC-NTUHNPAUSA-N	321.406	1.264	50	20	DDGD	
O=C(NCCCN1C(=O)CCC1=O)C1CCC(Cl)CC1	1520970503	YOORGZKJRGWWBG-UHFFFAOYSA-N	300.786	1.439	50	20	DDGD	
O=C(O)C1(C(=O)NNc2nc(O)c3ccccc3n2)CC=CC1	1605935258	DNLSTVVOHZDEHX-UHFFFAOYSA-N	314.301	1.200	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)O[C@H](CC(C)(C)C)C(=O)O)cn1	1600944524	AQJXPDJNUNRWOG-JXDHDYMSSA-N	305.334	1.760	50	20	DDGD	
CN(C)N(C(=O)CC1(C)COC1)c1nc(CC(=O)O)cs1	1606037613	VDGZWPQPYSQCCI-UHFFFAOYSA-N	313.379	1.006	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NC[C@H]2CCO[C@H]2C(=O)O)c(C)c1	1607621208	UDVZLBCASGQSKM-TZMCWYRMSA-N	321.377	1.728	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)C12CCC(C(=O)O)(CC1)C2	1608293913	NCXCLLLSUPRFDS-UHFFFAOYSA-N	308.378	1.749	50	20	DDGD	
O=C(NN=C1C[C@H]2C[C@@H](C(=O)O)[C@H]1C2)c1ccc([N+](=O)[O-])cc1	1601551823	AFUDEKDIWHFKAA-GGZOMVNGSA-N	317.301	1.811	50	20	DDGD	
CCCc1n[nH]cc1C(=O)NNc1ccc(C(=O)O)c(F)c1	1609982180	SNPNNBVEUUWLBJ-UHFFFAOYSA-N	306.297	1.956	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC2CC(C(=O)O)C2)cc1	1605804256	FCQNGGZSVITYNM-UHFFFAOYSA-N	305.334	1.056	50	20	DDGD	
O=C(NNc1ncccc1F)c1cc(-c2nn[nH]n2)ccc1F	1606861847	JATCODWDAZUMFW-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CCC[C@H](C(=O)O)C2)cc1	1607798430	MHGXOZVVIZKRPI-NSHDSACASA-N	317.345	1.681	50	20	DDGD	
COc1ccccc1OCC(=O)NN=CCC(C)(C)C(=O)O	1610367795	JPLHASLWZFYOKJ-UHFFFAOYSA-N	308.334	1.677	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)cc1	1549317898	XQOLFNUXMHSZQU-DZGCQCFKSA-N	303.362	1.009	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)c(Cl)c1	1549313054	GMGABAKKOAFROV-ZFWWWQNUSA-N	321.808	1.962	50	20	DDGD	
C/C=C(\C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2	1800464207	PXESKPSCHJTJEH-LCYNIUFTSA-N	318.776	1.077	50	20	DDGD	
CN[C@@H](CC(C)C)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	1578754753	YXLSWYDVANMHNG-AWEZNQCLSA-N	321.425	1.539	50	20	DDGD	
O=C(O)C1(C(=O)NNc2ncnc3ccsc23)CCOCC1	1574633253	OEUJZJKXBBYZBF-UHFFFAOYSA-N	322.346	1.016	50	20	DDGD	
CC(C)=C(C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	1589348793	IBNCMDUVKGSOTN-UHFFFAOYSA-N	314.349	1.374	50	20	DDGD	
C[C@@H](CCC1CC1)NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1589806434	UXZUPOXGUGFIKC-VIFPVBQESA-N	316.369	1.467	50	20	DDGD	
CC(C)(CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@@H]1F	1847438827	ISDXZDPKUVUGKI-BJDJZHNGSA-N	316.804	1.811	50	20	DDGD	
O=C(Cc1cccc2c1CCNC2)NNC(=O)C1CCCC1	1580574712	VXCSUAVLBXCGJN-UHFFFAOYSA-N	301.390	1.212	50	20	DDGD	
CCCC(=O)N1CC2(CCCN2C(=O)CO[Si](C)(C)C)C1	1844377784	SDRJUSISFQDQBE-UHFFFAOYSA-N	312.486	1.841	50	20	DDGD	
O=C(CCNC1CC1)NNC(=O)c1cc2ccccc2cc1O	1580537940	DYPDRLCXNDTTGA-UHFFFAOYSA-N	313.357	1.449	50	20	DDGD	
O=C(CCc1ccco1)NNC(=O)Nc1ccccc1C(=O)O	1594690342	MZBQYKKBACUZEA-UHFFFAOYSA-N	317.301	1.763	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C2(C(=O)O)CCC2)c(C)c1	1594373658	QCUWJSBRRIUSRB-UHFFFAOYSA-N	319.361	1.118	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)Nc1cccc(C(=O)O)c1	1594780134	JYXHWDSBJQKYEK-UHFFFAOYSA-N	318.264	1.385	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)N[C@H]1C[C@H](C(=O)O)C1	1594781166	IFMLUUJMWGMSRH-LJGSYFOKSA-N	307.335	1.181	50	20	DDGD	
CC1(C)C[C@H](NC(=O)NNc2ccc(F)c(C(=O)O)c2)CO1	1593858926	KEGIAZKHWQNQCS-VIFPVBQESA-N	311.313	1.718	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)s1	1593165374	FEJYPJOKUFQFHJ-UHFFFAOYSA-N	304.310	1.824	50	20	DDGD	
Cn1ncc(C(=O)NNc2ncccc2C(=O)O)c1C(F)F	1594579337	VINYSJDXKUFXRN-UHFFFAOYSA-N	311.248	1.208	50	20	DDGD	
O=C(CCCc1cccnc1)NNc1ccc(-c2nn[nH]n2)cc1	1592838797	DFMDWIKDDPGXME-UHFFFAOYSA-N	323.360	1.728	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1ccccc1C(=O)O	1594711491	XCLSKFUIJKNDMS-UHFFFAOYSA-N	314.301	1.175	50	20	DDGD	
COc1ncc(C(=O)NNc2ncccc2C(=O)O)cc1Cl	1594156703	CQNXOCYBWSMFJR-UHFFFAOYSA-N	322.708	1.594	50	20	DDGD	
COC(=O)c1cccc([C@@H](NNC(=O)CC(C)(C)C)C(=O)O)c1	1598997362	ZMRSSIPCEGBHJF-CYBMUJFWSA-N	322.361	1.656	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O	1596859563	DRSMGTKWBBBQKZ-JWAFFJSPSA-N	300.314	1.468	50	20	DDGD	
COCCCNC(=O)NN=Cc1cc(C(=O)O)c(Cl)s1	1776039408	RXALBGMRMIMQFA-UHFFFAOYSA-N	319.770	1.769	50	20	DDGD	
CC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc[nH]n1	1793740866	WWHRXORPWVCXDF-USZNOCQGSA-N	324.812	1.679	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CN2CCC(C)CC2)cc1	5794540	MOECSKYOIKLISE-UHFFFAOYSA-N	319.405	1.253	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)NCc2ccco2)c(F)c1	161410233	OYRACWXDUHUALH-UHFFFAOYSA-N	320.324	1.629	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(Cc2ccncc2)CC1	158657213	UNLIIBCNMRDMEV-SQFISAMPSA-N	300.362	1.170	50	20	DDGD	
O=C(Cn1ncc2ccccc2c1=O)NNc1ccccc1F	153108391	BMNDZACYHGTWPH-UHFFFAOYSA-N	312.304	1.679	50	20	DDGD	
O=C(CSCc1cscn1)NNc1ccc(Cl)nn1	153481299	KQROGUHJYHGTQF-UHFFFAOYSA-N	315.811	1.963	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2c(C)nn(C)c2C)n1	155787547	CBXQLPGFPLPVKO-UHFFFAOYSA-N	317.397	1.430	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1cccc([N+](=O)[O-])c1	6528675	UDHPEVVWMWWAOX-UHFFFAOYSA-N	317.276	1.738	50	20	DDGD	
Cc1cc(C)n(CC(=O)N/N=C2/C(O)=Nc3ccc(F)cc32)n1	6686992	BNKGJKAAYOKUDT-UHFFFAOYSA-N	315.308	1.761	50	20	DDGD	
CCCc1ccc(S(=O)(=O)NNC(=O)c2ccc[nH]2)cc1	7727308	AVOZOPATAFUMGH-UHFFFAOYSA-N	307.375	1.591	50	20	DDGD	
C[C@@H](CNC(=O)NNc1cccc([N+](=O)[O-])c1)Cn1cccn1	54574572	VZRQPPSNHGTKAH-NSHDSACASA-N	318.337	1.754	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)c1ccc(=O)[nH]c1	53605145	VXPMDVXJBZTNCF-UHFFFAOYSA-N	321.336	1.532	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H](c2ccco2)N(C)C)nn1	106328085	VFZCZJAQVBTYFH-LLVKDONJSA-N	304.354	1.307	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNc2ccc(C(N)=O)nn2)s1	176901585	QJUAXYFIYGZNAQ-UHFFFAOYSA-N	320.378	1.050	50	20	DDGD	
O=C(CCCNC(=O)c1cccnc1)NNc1ccc(F)cc1	178461815	KBVKXKNXDFQNEZ-UHFFFAOYSA-N	316.336	1.874	50	20	DDGD	
CN(NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1)C(N)=O	179693990	XYBNCXORGVNAKB-UHFFFAOYSA-N	320.393	1.146	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)NCC(F)(F)F	54091236	SHSOYVHTXKYZFS-UHFFFAOYSA-N	309.219	1.097	50	20	DDGD	
Cc1noc(CCCC(=O)NNc2cccc([N+](=O)[O-])c2)n1	178858347	YIJMIHZRCRFFII-UHFFFAOYSA-N	305.294	1.752	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@@H]2C[C@H]2C2CC2)c1	175874812	VQOOHCQJJKACLJ-UONOGXRCSA-N	303.362	1.301	50	20	DDGD	
Cc1cc(CNC(=O)NNc2ccc(C(C)(C)C)nn2)on1	118477821	ZTVSGCFSEMUSCL-UHFFFAOYSA-N	304.354	1.897	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C(C)C)N2C[C@H](C)O[C@H](C)C2)ncn1	172275659	ZHUQBCVYJGUAMJ-VNHYZAJKSA-N	321.425	1.362	50	20	DDGD	
CN(Cc1nnc[nH]1)S(=O)(=O)c1ccc(CCl)cc1	302520580	OXUJXOTUSOSOKA-UHFFFAOYSA-N	300.771	1.364	50	20	DDGD	
O=C(NN=C(c1ccccc1)c1ccccc1)C(=O)NC1CC1	115326857	BJJWFMHZKAKJEZ-UHFFFAOYSA-N	307.353	1.834	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)COC(C)(C)C)c(C)c1	183494461	YTVODYLKYWFEJU-UHFFFAOYSA-N	307.394	1.678	50	20	DDGD	
Cc1cccc2c1CCN(CC(=O)NNC(=O)c1ccccc1)C2	170922981	RATQEKYEMWNYRK-UHFFFAOYSA-N	323.396	1.814	50	20	DDGD	
CN1CCN(C(=O)Cc2ccc(NC=C(C#N)C#N)cc2)CC1	127571851	LCMDZFQOQAXWGE-UHFFFAOYSA-N	309.373	1.346	50	20	DDGD	
Cc1csc(CCCCNC(=O)NNC(=O)c2ccc[nH]2)n1	171091214	FZGDHSXVWPOUHW-UHFFFAOYSA-N	321.406	1.747	50	20	DDGD	
COc1cc(C(=O)NNC(=S)N[C@@H](C)C2CC2)ccc1C	175534264	OCBGWNBDZTZQMB-JTQLQIEISA-N	307.419	1.911	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NCc2ccccc2F)n1	31724525	NXVVKNQXLJNDBG-UHFFFAOYSA-N	319.340	1.170	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NNc1nc(-c2ccccc2)no1	129527324	JRRNAXYUHRECNZ-SNVBAGLBSA-N	318.337	1.017	50	20	DDGD	
O=C(NNc1cnccn1)C(=O)Nc1cc(F)ccc1Cl	122328435	CAXZNUJTCCYJGC-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
Cc1cc(OCC(=O)NNC(=O)c2ccc[nH]2)ccc1Cl	120143447	LJXZFYMUHXXRJU-UHFFFAOYSA-N	307.737	1.817	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(F)c(F)c1	77163713	WFFPCTTYEIFKPD-UHFFFAOYSA-N	313.304	1.031	50	20	DDGD	
COc1ccc(CNC(=O)NNc2ccccn2)c(OC)c1	124088787	BUKPFLGPTRUWRY-UHFFFAOYSA-N	302.334	1.925	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)CC(C)(C)C	186067604	GBARHKSNZGJGEY-UHFFFAOYSA-N	314.407	1.978	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2coc(C)c2)cc1	189121869	HRGAROOUNXAMLV-UHFFFAOYSA-N	302.330	1.990	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H]2CCCOCC2)cc1	181752512	KUXSHQIUFIQELD-AWEZNQCLSA-N	305.378	1.762	50	20	DDGD	
CC#CCCCC(=O)NNC(=O)c1ccc2c(c1)OCCO2	185023539	LRPJWEDKFUSIJV-UHFFFAOYSA-N	302.330	1.412	50	20	DDGD	
Cc1ccc(C[C@H](C)C(=O)NNC(=O)c2cnn(C)c2)cc1	181250795	CPILQWQCXZXBGN-LBPRGKRZSA-N	300.362	1.368	50	20	DDGD	
COc1ccc(C(=O)CCCC(=O)NNc2cnccn2)cc1	133407654	OCESHZDTQAWGML-UHFFFAOYSA-N	314.345	1.982	50	20	DDGD	
O=C(NNc1ncccn1)c1ccc(Br)cc1O	49447695	OIAUKUQDEYAOFS-UHFFFAOYSA-N	309.123	1.702	50	20	DDGD	
CCc1ccc(C(=O)NNc2nccnc2OC)cc1[N+](=O)[O-]	131902568	CSLXRAPHXJYUST-UHFFFAOYSA-N	317.305	1.713	50	20	DDGD	
CCc1ncc(C(=O)NNc2nc3ccccc3c(=O)[nH]2)s1	137181387	HORHXHJQACBAQI-UHFFFAOYSA-N	315.358	1.699	50	20	DDGD	
O=C(NNC(=O)c1cc2occc2[nH]1)c1cccc([N+](=O)[O-])c1	130532832	BJRKWNDZHNVAPS-UHFFFAOYSA-N	314.257	1.744	50	20	DDGD	
Cc1noc(CCCC(=O)NNC(=O)c2ccc(Cl)cc2)n1	41687292	GFGQTJXDBYZHOO-UHFFFAOYSA-N	322.752	1.815	50	20	DDGD	
C#CCCCC(=O)NNc1nc(Br)cn2ccnc12	192362687	BHADPSBFZWOCQB-UHFFFAOYSA-N	322.166	1.738	50	20	DDGD	
CC(C)(C)N(CC(=O)NNC(=O)C1CC1)Cc1ccccc1	130419622	PYEDUQIWBFRFSV-UHFFFAOYSA-N	303.406	1.845	50	20	DDGD	
CCc1nc(CC(=O)NNC(=O)NC2CCCCC2)cs1	194279674	JDUINPXVRJDUEL-UHFFFAOYSA-N	310.423	1.911	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNC(=O)c1cccnc1	86964581	WVPKPYPJLRSEAR-UHFFFAOYSA-N	302.334	1.198	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)cc1)NNc1ccc(F)cc1	193001035	BFWKXAFZTFXCQZ-UHFFFAOYSA-N	305.284	1.838	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2Cc3cc(F)ccc3O2)o1	84373580	KEBVKXQJJNEUHG-ZDUSSCGKSA-N	304.277	1.492	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1ccc(OCC#N)c(OC)c1	191769556	QDUXQTJUDVEEIF-WQLSENKSSA-N	306.343	1.897	50	20	DDGD	
COc1cccc(C(=O)NNc2nc3ccccn3n2)c1OC	191895359	KHFJBHQZCPMFED-UHFFFAOYSA-N	313.317	1.503	50	20	DDGD	
C[C@@H](NS(=O)(=O)c1ccc(CCl)cc1)c1nc[nH]n1	381815075	MOPNTSHGRONVSV-MRVPVSSYSA-N	300.771	1.583	50	20	DDGD	
CC[S@](=O)c1ccccc1C(=O)NNC(=O)c1ccncc1	193528078	GRHKZUZFHHHFCN-QFIPXVFZSA-N	317.370	1.284	50	20	DDGD	
CSCCNC(=S)NNC(=O)CCc1ccsc1	94120694	MFBMBNCYYCVPDN-UHFFFAOYSA-N	303.478	1.539	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)[C@H]1C[C@H]1C1CC1	90509277	LQFPUWVHLMPSAV-RYUDHWBXSA-N	320.414	1.981	50	20	DDGD	
CSCCNC(=S)NNC(=O)Cc1cc(F)ccc1F	94121225	WSXNYEVTPHSJQD-UHFFFAOYSA-N	319.402	1.366	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC(OCC(F)F)C1	866941975	ODMRUXOSILFLDX-UHFFFAOYSA-N	305.774	1.547	50	20	DDGD	
C[C@@H]1CN(CCC(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2C3)C[C@@H](C)O1	247598564	SZTZFDJGPOKQLD-MRLBHPIUSA-N	323.437	1.069	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CCCCCNC(C)=O	264517999	CXXUHFQZIXVRTN-UHFFFAOYSA-N	321.377	1.153	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccccn2)cc(OC)c1O	263622227	PNQBRMUCQLCIJQ-UHFFFAOYSA-N	301.302	1.568	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cnn(C)c2C2CC2)n1	267102089	AFUCSXIBLYDVHD-UHFFFAOYSA-N	306.757	1.806	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNC(=S)Nc1cccc(C)c1C	268307987	FNOTVYUGESFXFT-SNVBAGLBSA-N	323.418	1.820	50	20	DDGD	
Cc1nc2c(cc1C(=O)NNC(=O)C1CCC1)c(C)nn2C	264699862	JIYGVUNWTMCHAL-UHFFFAOYSA-N	301.350	1.146	50	20	DDGD	
CCC1(C(=O)NNC(=O)CCc2ccccc2O)CCOCC1	272395949	YPFWKOLHTFFOSG-UHFFFAOYSA-N	320.389	1.679	50	20	DDGD	
COC(=O)c1cccc(CCNC(=O)NNC(=O)C(C)(C)C)c1	271084605	MZGGXVAHYCHMHJ-UHFFFAOYSA-N	321.377	1.392	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)nc1	275429178	APTMYRNWMDWYPI-SECBINFHSA-N	310.354	1.447	50	20	DDGD	
CCc1cnc(CNC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)o1	275195102	GAQSDXUKEQGUMF-WLRTZDKTSA-N	323.356	1.979	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)Nc1cccc2[nH]ccc12	274113409	RJISVMFSIAOTRN-UHFFFAOYSA-N	300.318	1.054	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(C#N)ccc1OCC	276060333	QUSGKCRUAIFABC-UHFFFAOYSA-N	305.338	1.655	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1cc(C)sn1	278332250	DXVRGQLDAZWCEH-UHFFFAOYSA-N	319.386	1.854	50	20	DDGD	
COCCN(C)NC(=O)c1cc(C)n(-c2ccc(OC)cc2)n1	288530823	WXQRBPXJJPRCCO-UHFFFAOYSA-N	318.377	1.412	50	20	DDGD	
O=C(Cc1ccc(-n2cnnn2)cc1)NCC(Cl)Cl	288353613	XDPUOIKJTWVTIX-UHFFFAOYSA-N	300.149	1.125	50	20	DDGD	
CNC(=O)[C@@]1(C)CCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C1	281110497	NFAPLKIKTZIESH-KAMPRCONSA-N	314.345	1.917	50	20	DDGD	
Cc1ccc(S(N)(=O)=O)c(C(=O)NCC(Cl)Cl)c1	289214397	YRBSTCDHYDMFAX-UHFFFAOYSA-N	311.190	1.176	50	20	DDGD	
COc1cc(OC)cc(S(=O)(=O)NCCSSC)c1	284127685	COVFXJYGDNGZEX-UHFFFAOYSA-N	323.461	1.993	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2conc2C2CC2)c1	280854189	WYAZPZPMGSSQBF-UHFFFAOYSA-N	314.345	1.693	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)COCc1ccnn1C	284918630	NCOWFWUBJKDYRB-UHFFFAOYSA-N	317.349	1.098	50	20	DDGD	
COC(OC)c1ccc(C(=O)NNc2cc(C)nc(C)n2)o1	287362908	BFIPQUGCBDWPPA-UHFFFAOYSA-N	306.322	1.735	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)O1	292876808	UBOLNGZDSYWERT-KWQFWETISA-N	307.306	1.136	50	20	DDGD	
CO[C@H]1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)[C@@H](C)C1	298565289	PTSJNKOYWHAZBV-FZMZJTMJSA-N	323.368	1.086	50	20	DDGD	
CC(C)Oc1ncccc1C(=O)NNC(=O)c1ccncc1	806275585	MDQHQPZAYICCSM-UHFFFAOYSA-N	300.318	1.339	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)Cc1ccc(Cl)cc1	800317586	BYLLNMCMCSEQCG-RBZYPMLTSA-N	310.781	1.843	50	20	DDGD	
O=C(CN(C1CCC1)C1CCC1)NNC(=O)c1ccccc1	292374767	JBICOZAPJUOZBY-UHFFFAOYSA-N	301.390	1.855	50	20	DDGD	
COCCN(C)NC(=O)c1nnn(-c2ccccc2Cl)c1C	808075437	YZBUOWDRTJPRFY-UHFFFAOYSA-N	323.784	1.452	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccc(Cl)cc1OCC(F)F	806827693	YTGXNBLFBXYPOI-UHFFFAOYSA-N	323.683	1.129	50	20	DDGD	
CC(=O)c1cccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)c1	296077274	DASDYVVFXFXNJW-ZDUSSCGKSA-N	305.334	1.611	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CCn2cccn2)c(C)c1	295505196	ULHCMDSLEZGZKM-UHFFFAOYSA-N	315.377	1.150	50	20	DDGD	
COc1cccc2c(C(=O)NNC(=O)C3CCCC3)n[nH]c12	809604318	RNMOCGRKEXANPB-UHFFFAOYSA-N	302.334	1.523	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@@H]1CCN2CCCC[C@H]12	298728237	KTDZXYAPUCUXAF-NXEZZACHSA-N	310.789	1.383	50	20	DDGD	
Cc1cnc(C(=O)NNc2ccc(-n3ccnc3)nn2)c(C)c1	804958932	SIZWWPIHMHQTNU-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)c(O)c1	295338171	HTWVIJMFPWOVEH-CQSZACIVSA-N	306.362	1.846	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc3c(n2)CCC3)[nH]n1	296781403	JAPBJIGYVZXFJX-UHFFFAOYSA-N	300.322	1.068	50	20	DDGD	
CC[C@@H](C)[C@@H](CNC(=O)NNC(=O)c1ccccc1F)OC	296680823	BIMYCEUYKUFSSO-ZWNOBZJWSA-N	311.357	1.831	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CCn2ccnc2)cc1	802056623	VYQFQDZWKWPRCM-UHFFFAOYSA-N	303.322	1.135	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CCCCN(C)C)cc1	802060608	LNBYBWKIGHMENM-UHFFFAOYSA-N	308.382	1.580	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@H]1CC(=O)c2ccccc21	802027140	SRCRSKATFJHDPJ-ZDUSSCGKSA-N	310.313	1.026	50	20	DDGD	
COC(=O)Cc1occ(C)c1C(=O)NNC(=O)CC(F)(F)F	810178906	ATECTWPDXDPJSH-UHFFFAOYSA-N	322.239	1.017	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCc3cccnc3CC2)CC1	817327569	LSYDXEKKVMYKMX-UHFFFAOYSA-N	301.394	1.273	50	20	DDGD	
Cc1c(C(=O)NNC(=O)Cc2cccnc2)ccn1C(C)C	815411000	ZQKAYHNSUVMEFQ-UHFFFAOYSA-N	300.362	1.776	50	20	DDGD	
Cn1c(NNC(=O)[C@@H]2COc3ccccc3O2)nc2ccccc21	816578550	GREMDBPKOGFMBH-HNNXBMFYSA-N	324.340	1.856	50	20	DDGD	
CC(C)C(Cn1cccn1)=NNC(=O)COc1ccccc1O	814951617	MCBFZUKEGXBJOH-UHFFFAOYSA-N	316.361	1.796	50	20	DDGD	
Cc1nc(CC(=O)NN=C2CC[C@@H](C(=O)O)[C@@H](C)C2)cs1	814740469	UODONTLNDQSAAA-QPUJVOFHSA-N	309.391	1.987	50	20	DDGD	
CO[C@H]1CCC[C@@H](C(=O)NNC(=O)COc2ccc(C)cc2)C1	814365608	RIRSATRLUKCBRC-HIFRSBDPSA-N	320.389	1.726	50	20	DDGD	
CC(C)[C@H](F)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	812730270	BRKXOWGAGMRAEP-LBPRGKRZSA-N	317.386	1.374	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccn(-c2cccc(F)c2)n1	817079328	BVWKLRHTLQDZKO-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC2CCN(OC)CC2)cc1	817173085	FVTRCIROTHOYHU-UHFFFAOYSA-N	320.393	1.219	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=C[C@H]2CCOC2)cc1	812433912	NSOSAIRAPIBMIK-QWHCGFSZSA-N	306.362	1.991	50	20	DDGD	
NC(=O)C(=O)NN=C(CCc1ccccc1)Cc1ccccc1	729140327	BRZHSAFAQMGNOJ-UHFFFAOYSA-N	309.369	1.819	50	20	DDGD	
CSCc1cccnc1C(=O)NNc1cc(Cl)nc(N)n1	810956998	RPXUKFZZSDQYQM-UHFFFAOYSA-N	324.797	1.727	50	20	DDGD	
CCC(C)(C)c1ccc(NC(=O)C(=O)NNC(=O)OC)cc1	495860306	YMMNQFGUHAEJCS-UHFFFAOYSA-N	307.350	1.700	50	20	DDGD	
CC(C)c1ccccc1C(=O)NNC(=O)C(=O)N1CCCC1	824877676	UTMBZUJSPNBBOD-UHFFFAOYSA-N	303.362	1.193	50	20	DDGD	
C#CCN(C)CCCNC(=O)NNc1cc(F)c(F)cc1F	491782443	NHHSNOAVXZPFAG-UHFFFAOYSA-N	314.311	1.685	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CC1(C)C	823913434	ULEKFYJDUXYNSD-MEBBXXQBSA-N	300.399	1.088	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc3cccnc23)CO1	825821173	KHXFOBHOZSTWJB-PWSUYJOCSA-N	314.345	1.356	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	492410331	FDHOJCZVWABWNV-UHFFFAOYSA-N	324.381	1.009	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C\c1ccc(-c2nn[nH]n2)s1	821065762	MOMZEOUGTZNXDG-CLFYSBASSA-N	302.363	1.751	50	20	DDGD	
CCOCC(=O)NN=Cc1ccc(OC)c2oc(C(=O)O)cc12	829941306	ZLTGHDITUZKPFM-UHFFFAOYSA-N	320.301	1.626	50	20	DDGD	
CCCCS(=O)(=O)CC(=O)NNc1cccnc1Cl	822584717	MXFRINZENFIZOQ-UHFFFAOYSA-N	305.787	1.393	50	20	DDGD	
Cc1nn2c(CN3CC[C@@H](B(O)O)C3)c(C(C)C)nc2s1	585077000	RQEASYHXNCSBBW-SNVBAGLBSA-N	308.216	1.271	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)N[C@H]1CO[C@@H](C)C1	828421246	OPRQPRVQDLGKRE-WCQYABFASA-N	321.377	1.136	50	20	DDGD	
O=C(NNc1cccc(F)c1F)c1ccc(-c2nn[nH]n2)s1	823280982	KLYUFJLDNZMPPO-UHFFFAOYSA-N	322.300	1.963	50	20	DDGD	
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NNC(=O)Cc1ccccc1F	826938098	ZISILTLWYHCISA-DGCLKSJQSA-N	308.353	1.719	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=C(C)c1ncc[nH]1	496628305	VCFBDORJIDRSQY-LLVKDONJSA-N	319.365	1.167	50	20	DDGD	
CCC1(C(=O)NNC(=S)NCCc2cccs2)COC1	820169798	WEPHBXJKJRDGOO-UHFFFAOYSA-N	313.448	1.213	50	20	DDGD	
CC(C)COc1ncc(C(=O)NN(C)[C@@H](C)CO)cc1Cl	823935969	YKHBOCCNSSGSFR-JTQLQIEISA-N	315.801	1.727	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(C(=O)N(C)C)ccc1C	494659090	MAVLCJNFTWOGCR-UHFFFAOYSA-N	308.338	1.479	50	20	DDGD	
COc1ccccc1C/C(C)=C\C(=O)NNC(=O)NC(C)C	730215390	ZASUSUJZRYYUFK-BENRWUELSA-N	305.378	1.923	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1cc(C2CC2)[nH]n1	732304385	LRJHRKIYZIAEQH-UHFFFAOYSA-N	320.374	1.448	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCC(C2CCCC2)CC1	584953892	ABPLZMCUDLDYPN-UHFFFAOYSA-N	301.195	1.409	50	20	DDGD	
CCN(CCC(=O)OC)C(=O)/C(C#N)=C/c1ccc(O)cc1	490907092	GNONHSVTMHRITA-JLHYYAGUSA-N	302.330	1.711	50	20	DDGD	
O=C(NNc1cccnn1)N[C@@H]1C[C@H]1c1c(F)cccc1F	736388142	OWGJLPNCUOTELO-LDYMZIIASA-N	305.288	1.937	50	20	DDGD	
CCN(C)c1ccc(/C=C(/C#N)S(=O)(=O)NC2CC2)cn1	588615567	MIYLAJGWCYILRV-JYRVWZFOSA-N	306.391	1.484	50	20	DDGD	
COC(=O)c1cc(NNC(=O)/C=C\[C@H]2CCOC2)ccc1F	493483237	BFLSPXXPNWKFFN-ODTOEKCJSA-N	308.309	1.648	50	20	DDGD	
Cc1ccc(C)c([C@H](C)N(C)C(=O)c2cccc(B(O)O)c2)c1	584949189	KWIONWRSZQOQGL-AWEZNQCLSA-N	311.190	1.816	50	20	DDGD	
CSc1ccc([C@H](C)NCc2cccc(B(O)O)c2)cc1	585038965	LASUZHZVOZOJAJ-LBPRGKRZSA-N	301.220	1.939	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCCCN2CCCCCC2)cn1	490975330	OXOYHBHVGPCGEV-WJDWOHSUSA-N	315.421	1.709	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNc1cc(C#N)cc(Cl)n1	839717258	LSFOSSPPZPMZGB-SECBINFHSA-N	309.757	1.197	50	20	DDGD	
COc1nccc(C=NNC(=O)COc2cc(C)cc(C)c2)n1	834922798	NPSZORKDMGUERZ-UHFFFAOYSA-N	314.345	1.631	50	20	DDGD	
C[C@H]1CN(C(=O)[C@]2(C)C[C@@H]2Br)C[C@@H](C)S1(=O)=O	908298475	GSAUZEIPECQYPT-QCBRBAQYSA-N	324.240	1.194	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2CCN(c3ccccn3)C2)C[C@@H]1Br	907117973	XHFHYSZMQRYNJU-SUNKGSAMSA-N	324.222	1.950	50	20	DDGD	
Cc1cccc2c(CCC(=O)N3CC[C@@H](B(O)O)C3)c[nH]c12	585067629	YYPRQPRJMSYCLR-CYBMUJFWSA-N	300.167	1.484	50	20	DDGD	
CCC(=NNC(=O)[C@H](C)OCCOC)c1cccc(C#N)c1	905450465	RRJXGZOKIYMMJB-LBPRGKRZSA-N	303.362	1.840	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CC[C@@H](c3ccccc3F)C2)o1	585039953	XPKANVGXJRJNRW-VXGBXAGGSA-N	303.142	1.524	50	20	DDGD	
CC1=C(C)C(=O)N(CCC(=O)NNc2c(C)cccc2F)C1=O	907462221	SWUSPKIHXDTODG-UHFFFAOYSA-N	319.336	1.673	50	20	DDGD	
C[C@@](O)(C(=O)NNc1cccc(Br)n1)C1CC1	837212140	IKXWIVJGDSVHMG-NSHDSACASA-N	300.156	1.448	50	20	DDGD	
COC(=O)[C@H]1C[C@H](O)CN(CCO[Si](C)(C)C(C)(C)C)C1	830864969	IISAAENRWKTQSD-STQMWFEESA-N	317.502	1.864	50	20	DDGD	
O=C(NC[C@@H]1CC1(Cl)Cl)NNC(=O)[C@H]1CCCCO1	836234607	MBSYTRWLQRZCOQ-JGVFFNPUSA-N	310.181	1.080	50	20	DDGD	
C[C@H](N)C[C@@H](C)NC(=O)NNC(=O)Cn1ccc2ccccc21	831212902	XZUIDPQECUMYMU-NWDGAFQWSA-N	317.393	1.098	50	20	DDGD	
COCCOc1cccc(C=NNC(=O)[C@@H]2CCCCO2)c1	834989440	SGLGSPHMFJCTQT-HNNXBMFYSA-N	306.362	1.731	50	20	DDGD	
Cc1noc(C)c1C[C@H](C)NC(=O)NNC(=O)C1CCCC1	739051587	YGMXCLWGXSMZAP-VIFPVBQESA-N	308.382	1.743	50	20	DDGD	
CCSc1cccc(CNCc2ccc(B(O)O)cc2)c1	585043532	QQVHJYSUXSKQOM-UHFFFAOYSA-N	301.220	1.768	50	20	DDGD	
C[C@H](NC(=O)c1cccc(B(O)O)c1)[C@@H]1CCCc2ccccc21	584981022	RDWXSFQTZXPRNB-GUYCJALGSA-N	323.201	1.605	50	20	DDGD	
O=C(c1c(O)cc(Cl)cc1Cl)N1CC[C@H](B(O)O)C1	585078980	QTPOQDXPQPRSAM-LURJTMIESA-N	303.938	1.388	50	20	DDGD	
C[C@@H](C[C@H](O)c1ccccc1)NCc1ccc(B(O)O)cc1F	585033785	GEFFYLPCIZFXLD-SJCJKPOMSA-N	317.169	1.107	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(Cl)nc(C(F)(F)F)c1	910161159	UVNBTMRIQKMTEG-LURJTMIESA-N	311.691	1.711	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H]1CSc2ccccc21	735654244	IFKMPJKHAOTQEV-NSHDSACASA-N	309.391	1.243	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)Cn1cc([C@@H](C)O)nn1	836932657	CFWXVGYMDMVXAW-SECBINFHSA-N	309.757	1.437	50	20	DDGD	
C[C@@H](N)C[C@@H](C)NC(=O)NNC(=O)Cc1c[nH]c2ccccc12	831196449	CTFPDRPGDJCHQC-GHMZBOCLSA-N	317.393	1.167	50	20	DDGD	
COc1ccc(O[C@@H](C)CNC(=O)NNc2ccncn2)cc1	836331265	DVIYKOIZLIARBP-NSHDSACASA-N	317.349	1.579	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccn(-c2ccc(Cl)cc2)n1	910161381	YMUZNWBUIAGOKM-JTQLQIEISA-N	308.769	1.483	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1CCC(C(F)(F)F)CC1	843656147	MDPLYNRJHDHYPE-PMUOWJKOSA-N	322.327	1.928	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1ccc(F)c(F)c1	743445742	FJLDZALQSJSSKJ-UHFFFAOYSA-N	322.271	1.249	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)NCC2CC2)cc1OC	849252248	YQELNQUKFRKOLB-UHFFFAOYSA-N	309.391	1.223	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H](C)Cc1ccccc1F	843650557	DPXZACJMKCAJKG-MDZLAQPJSA-N	308.353	1.577	50	20	DDGD	
CCC(=NNC(=O)[C@@H](C)OCCOC)c1cccc([N+](=O)[O-])c1	748259211	GYSZNHAVQAABLK-LLVKDONJSA-N	323.349	1.877	50	20	DDGD	
C[C@@H](CNC(=O)NNc1cncc(Cl)n1)N1CCCCC1	918121236	LQKGUEPYNWEMTH-JTQLQIEISA-N	312.805	1.631	50	20	DDGD	
COc1cccc(-c2nc(C)c(C(=O)NN(C)C[C@@H](C)O)[nH]2)c1	910160622	MBUGCXVOFWPMNC-SNVBAGLBSA-N	318.377	1.351	50	20	DDGD	
COCC[C@H](C)CNC(=O)NNC(=O)CCc1ccccc1	840398181	CZXFXFKCXGYXKY-ZDUSSCGKSA-N	307.394	1.622	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)C1(S(C)(=O)=O)CCCC1	848081221	NLWACUBWUJHABX-UHFFFAOYSA-N	302.223	1.606	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=S)Nc1ccc(Cl)nc1	843276938	KZQUFHWSKWUKEW-IONNQARKSA-N	314.798	1.478	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1cccc(C(=O)N(C)C)c1	914746277	NELIVPCQTLTOEQ-KAMYIIQDSA-N	301.346	1.449	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)N[C@@H]1CCNC1	841938382	CSOKXQWOPCGBPY-DLUQRMLASA-N	320.437	1.285	50	20	DDGD	
CN1Cc2c(NC(=O)NNC(=O)CC3CC3)cccc2C1=O	841735872	WFBWTOIGXFEUOT-UHFFFAOYSA-N	302.334	1.225	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H](c1ccc(Cl)cc1)N(C)C	847401937	SXSMHNWHKCRTOD-GFCCVEGCSA-N	312.801	1.682	50	20	DDGD	
Cc1cccc(N2C[C@H](C(=O)NN(C)C[C@@H](C)O)CC2=O)c1C	910176153	YWOGLPWJTJDJMF-TZMCWYRMSA-N	319.405	1.000	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc2c(c1)nc(O)n2C1CC1	910140276	YYPPGLBYPUEFJX-VIFPVBQESA-N	304.350	1.034	50	20	DDGD	
C[C@@H](CC(=O)NNc1ncncc1F)N1CCc2ccccc21	848122308	KPZJSUNLTVHQMR-NSHDSACASA-N	315.352	1.900	50	20	DDGD	
Cc1ncc2n1C[C@H](C(=O)NNc1cccc(Cl)n1)CC2	846212173	LANXHHXPPBQDIU-SNVBAGLBSA-N	305.769	1.946	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)[C@@H]1CCCS1(=O)=O	847668238	NFOVKRCSUVKUIM-LBPRGKRZSA-N	305.359	1.255	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)C1(N(C)C(=O)OC(C)(C)C)CCC1	910148016	QCSMTDWHOQXDOJ-LLVKDONJSA-N	315.414	1.120	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NC[C@@H]1CCCCN1	841922361	OQCRQLZQNUNBOS-HNNXBMFYSA-N	318.421	1.482	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1	910154778	GHZWOEXSLHRVCF-QPUJVOFHSA-N	321.204	1.761	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1(c2cccc(F)c2)CCC1	843645449	RDRJJYJNXSRDLE-RISCZKNCSA-N	320.364	1.820	50	20	DDGD	
CCNCCCNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	841917285	DCGZEMVFNZVUKA-UHFFFAOYSA-N	322.453	1.533	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2cc(F)c(F)c(F)c2)CCC1	746699971	PCZKYAUQNKPQFV-UHFFFAOYSA-N	301.268	1.463	50	20	DDGD	
CCN(CC)CCC(=O)NN=C(C)c1cc(OC)ccc1O	916356037	UUBHLWSDBIPIQU-UHFFFAOYSA-N	307.394	1.973	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc3c2OCCCO3)o1	845738018	KMQQEILYPYOBNR-UHFFFAOYSA-N	316.313	1.824	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)C2CCCC2)cc(C)c1F	742028728	CMBXPXDURJURLF-UHFFFAOYSA-N	314.382	1.942	50	20	DDGD	
COCCn1cc(C(=O)NNc2c(C)cc(C)cc2C)nn1	841409634	XMHCNZRGGGXDTK-UHFFFAOYSA-N	303.366	1.607	50	20	DDGD	
O=C(NN=Cc1c(F)cccc1N1CCCC1)C(=O)NC1CC1	744828191	WBLFRXXINWTFKF-UHFFFAOYSA-N	318.352	1.155	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)CCn2cccc2)c1	746094683	BXBVVFCUZPKEDJ-UHFFFAOYSA-N	317.345	1.357	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)c2cccc(C#N)c2)[C@H](C)[C@@H]1C	842166139	INVOCFSKHVQHSL-JHJVBQTASA-N	314.389	1.296	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccccc1OCCC(C)C	847502463	BXPMUSBEGBJBHU-UHFFFAOYSA-N	321.377	1.607	50	20	DDGD	
Cc1nccn1C[C@H](C)CNC(=O)NNC(=O)CC(F)(F)F	749195931	GQEOOGKUPCEAAC-MRVPVSSYSA-N	321.303	1.110	50	20	DDGD	
NC[C@H](NC(=O)NNC(=O)Nc1cc(F)cc(F)c1)C1CC1	841945387	JJMJUXLLYNMXNM-NSHDSACASA-N	313.308	1.038	50	20	DDGD	
Cc1cc(NNC(=O)N[C@@H]2CCC(=O)N(C)C2=O)ccc1Cl	922963309	QZVNAMQHUHKLPU-LLVKDONJSA-N	324.768	1.422	50	20	DDGD	
Cn1cc(NC(=O)NNC(=O)c2ccc(Cl)cc2O)cn1	755492651	JHYWIACGNMJUAO-UHFFFAOYSA-N	309.713	1.246	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1cc(F)ccc1OC(F)F	852683970	XVIJGLIXFKIICW-UHFFFAOYSA-N	319.283	1.914	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1ccc2c(c1)OCCO2)C1CC1	920053384	FEZNFJOKZKEIEP-JTQLQIEISA-N	319.361	1.448	50	20	DDGD	
CN(NC(=O)c1coc(S(=O)(=O)N(C)C)c1)c1ccccc1	756744749	JBCBFOQVYGMILI-UHFFFAOYSA-N	323.374	1.311	50	20	DDGD	
C#CC[C@@H](CCOC)NC(=O)NNC(=O)c1cc(C)cs1	858708857	ZOWXPQPKFDSFGZ-NSHDSACASA-N	309.391	1.429	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccc([C@@H]2CCCN(C)C2)c1	857169297	QONZGQNSDBHMCK-OAHLLOKOSA-N	318.421	1.802	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C=NNC(=O)[C@H]1CCCO1	853349297	VBHIRUSNLONBBO-IACUBPJLSA-N	306.366	1.169	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NC[C@]2(C)C[C@H]2Br)C1	857404763	VIZIYIWXCGQTKL-LOWVWBTDSA-N	317.227	1.535	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=Cc2ccnn2CC2CC2)c1	853425753	GUDYNDWPSYOPCT-UHFFFAOYSA-N	312.329	1.755	50	20	DDGD	
Cc1nn(C)c(C)c1[C@H](C)C(=O)NNC(=O)OCC(F)(F)F	856023935	BCKRJEMCYXZYNZ-LURJTMIESA-N	322.287	1.460	50	20	DDGD	
CC(=O)N[C@@H](CCC(C)C)C(=O)NNC(=O)c1ccccc1C	854245776	GBNAPHREJRFCIL-HNNXBMFYSA-N	319.405	1.697	50	20	DDGD	
COCC[C@H](Cc1ccco1)NC(=O)NNC(=O)C1CCCC1	753278033	FVSIEPSUVFFZJV-CYBMUJFWSA-N	323.393	1.748	50	20	DDGD	
C/C=C\COc1cccc(CC(=O)NN(C)C(=S)NC)c1	854922121	YGPJXWCYIXTOMQ-PLNGDYQASA-N	307.419	1.651	50	20	DDGD	
O=C(C[C@H]1CCCS(=O)(=O)C1)NNc1ccnc(Cl)c1	855466612	RYOJHXZOAVQZLB-SECBINFHSA-N	317.798	1.393	50	20	DDGD	
O=C(NNC(=O)c1cnc(F)c(Cl)c1)NC1CCCC1	930965136	JWUKCPBBQOZSIZ-UHFFFAOYSA-N	300.721	1.761	50	20	DDGD	
CC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)C1CCOCC1	755885100	CBJMXNKHFJTLQG-UHFFFAOYSA-N	306.322	1.709	50	20	DDGD	
COc1ccc(C)cc1[C@H](C)NC(=O)NNC(=O)c1cn[nH]c1	858096323	ZTDHLVROOCIZSD-JTQLQIEISA-N	317.349	1.432	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(C(C)=O)c[nH]2)nc1	758517085	SRBAHSWYXXSEFH-UHFFFAOYSA-N	302.290	1.156	50	20	DDGD	
CCn1nccc1NC(=O)NNC(=O)c1cc(Cl)ccc1O	757902640	DYLZLGYOUDUCDD-UHFFFAOYSA-N	323.740	1.729	50	20	DDGD	
CCN1CCN(C(=O)[C@@H](Br)C(C)(C)C)CC1=O	768452170	WWJHXIYLAVATAK-SNVBAGLBSA-N	305.216	1.487	50	20	DDGD	
CCC(=NNC(=O)c1cnn(C)c1)c1ccc(C(=O)O)cc1	760258654	LUOCGPISXCVZIK-UHFFFAOYSA-N	300.318	1.662	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H](C#N)CCc2ccccc2)n1	764215069	DAHKYVOJYHPMKD-ZDUSSCGKSA-N	311.345	1.701	50	20	DDGD	
CCc1ccc2occ(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)c2c1	862462238	OQQLDLGWKSTPIM-LBPRGKRZSA-N	315.329	1.035	50	20	DDGD	
COC(=O)C12CCC(C(=O)NN=c3cc[nH]c(C)c3)(CC1)C2	862512127	KVHFMQQLXTXQIG-UHFFFAOYSA-N	303.362	1.379	50	20	DDGD	
Cn1c(CC(=O)NN=C2CCN3CCC[C@@H]23)nc2ccccc21	765559480	JMKPTECSQAKGEY-HNNXBMFYSA-N	311.389	1.456	50	20	DDGD	
Cc1ccc(-n2ncc(C(=O)NNC(=O)C(C)(C)O)c2C)cc1	768242913	CEWOUMXOWJNBBJ-UHFFFAOYSA-N	316.361	1.021	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2nn(-c3ccccc3)cc2O)CN1C	761804808	HITPRYGLXOIMKD-NSHDSACASA-N	313.361	1.388	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(C(=O)OC)cc1F	930221547	IRDSAFZKBFJZNB-UHFFFAOYSA-N	321.308	1.569	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1ccc(S(C)(=O)=O)nc1	936000876	SEVWSTOWULTTEW-UHFFFAOYSA-N	311.190	1.361	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1cccc(-c2cccnc2)c1	768483473	RPLKBGQGYFFWQT-UHFFFAOYSA-N	322.368	1.821	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC1C[C@H](C)O[C@@H](C)C1	767216652	JVHNOJCYAWIAFE-QWRGUYRKSA-N	321.377	1.595	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2cc(O)nc(C3CC3)n2)c1	862479239	IFLSWUDNPWBJKP-UHFFFAOYSA-N	318.358	1.504	50	20	DDGD	
C[C@@H](OC[C@H]1CCCO1)C(=O)NNc1nc2ccccc2[nH]1	768511863	DXQFJTUIFCXBJA-GHMZBOCLSA-N	304.350	1.590	50	20	DDGD	
CCc1nnc(O)c(C(=O)NN[C@H](C)C(F)(F)F)c1CC	862310719	DQFJLMGNNVBGFZ-ZCFIWIBFSA-N	306.288	1.492	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2cnc3[nH]cnc3c2)nn1	1116417852	NLRYOLOJGZZYLP-UHFFFAOYSA-N	311.349	1.802	50	20	DDGD	
CN(C)C(=O)CCCC(=O)NNc1cc(C#N)cc(Cl)n1	769060811	DRKLTAIHSOKEGT-UHFFFAOYSA-N	309.757	1.308	50	20	DDGD	
O=C(C[C@H]1CCS(=O)(=O)C1)NNc1ccnc(Cl)c1	1118782367	RVIXEVGATPJRQH-MRVPVSSYSA-N	303.771	1.003	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C2(O)CCCCC2)cn1	874954041	NAFYUUZIJRMHDG-UHFFFAOYSA-N	324.406	1.103	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(C)c2ncccc12	763438291	OZBVWFYCWPEKSJ-UHFFFAOYSA-N	300.318	1.039	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@@H]2CCCO[C@H]2C(C)C)cc[nH]1	875348676	OXOJEFDTDCGRJN-ZFWWWQNUSA-N	306.410	1.889	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H](c1cccc(OC)c1)N(C)C	875002277	DTZAKEZJHKGLEG-ZDUSSCGKSA-N	324.381	1.210	50	20	DDGD	
CC1=NO[C@@H](CNC(=O)NNC(=O)c2ccc(Cl)cc2)C1	875980009	KOKSWIIWDGRKBW-LLVKDONJSA-N	310.741	1.449	50	20	DDGD	
C=CCN(CC(=O)NNC(=O)c1ccccc1Cl)C1CC1	772380478	FIJAALQAHYUDEN-UHFFFAOYSA-N	307.781	1.751	50	20	DDGD	
C[C@@H](CC(=O)OC(C)(C)C)NS(=O)(=O)CBr	1116533588	DDVLWOSMQWQRJP-ZETCQYMHSA-N	316.217	1.379	50	20	DDGD	
Cn1cc(C=NNC(=O)C(C)(C)O)c(-c2cc(F)ccc2F)n1	872367667	CRMLPZIXQVOHPI-UHFFFAOYSA-N	322.315	1.586	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2ccccc2S(C)(=O)=O)CCO1	776476889	PQJPXDUOTFOOEM-QWRGUYRKSA-N	312.391	1.348	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C2(C#N)CCC2)cn1	874953794	JIIURIYHJXEOEB-UHFFFAOYSA-N	305.363	1.102	50	20	DDGD	
CC[C@@H](C(=O)NNC(=S)Nc1ccccn1)N(CC)CC	874956568	IAAHCVFOKOZVAG-NSHDSACASA-N	309.439	1.520	50	20	DDGD	
COC(=O)C1(C(=O)NNC(=S)Nc2ccc(C)c(C)c2)CC1	873762851	FHQFJQRDCROPNS-UHFFFAOYSA-N	321.402	1.574	50	20	DDGD	
CCCn1cc(C=NNC(=O)COc2ccc(OC)cc2)nn1	872329830	ZQDIROPXQRJTPC-UHFFFAOYSA-N	317.349	1.226	50	20	DDGD	
COCC(C)(C)C(=O)NNc1ccnc(Br)c1	771554392	ZIWUBNRJKSRHKQ-UHFFFAOYSA-N	302.172	1.960	50	20	DDGD	
CSc1cccc(C)c1NC(=O)C(=O)NNC(=O)C(C)(C)C	770758289	AMKGJMCLEVQPTL-UHFFFAOYSA-N	323.418	1.849	50	20	DDGD	
CN(C)c1noc(CCC(=O)NNc2cccc(C#N)c2)n1	779818168	CLSXKMDKTVFUFQ-UHFFFAOYSA-N	300.322	1.083	50	20	DDGD	
Cc1sc(Cl)nc1C(=O)NNC(=O)C1CCOCC1	883068637	CBVFKUOKNZPULV-UHFFFAOYSA-N	303.771	1.293	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	775853951	FZRULXUBEQHLCR-UHFFFAOYSA-N	324.344	1.164	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H](C)NC(=O)CC(C)(C)C	778585415	LBYCHMJMURSZPX-JTQLQIEISA-N	300.403	1.058	50	20	DDGD	
CC[C@@H](C)Oc1cc(C(=O)NNC(=O)C2CCOCC2)ccn1	883067675	PYLSQLGTYLVGJN-LLVKDONJSA-N	321.377	1.447	50	20	DDGD	
COc1cc(C)cc(C=NNC(=O)NCC(F)(F)F)c1O	884420455	SKCQWAMJNCNMMJ-UHFFFAOYSA-N	305.256	1.905	50	20	DDGD	
COC(=O)CCc1cccc(NC(=O)NN(C)C(=O)OC)c1	881092648	NINJUUPJTKGMDY-UHFFFAOYSA-N	309.322	1.527	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2cnccn2)ccc1Cl	788760330	AIONXIVSVBCBQO-UHFFFAOYSA-N	321.724	1.605	50	20	DDGD	
CC(C)[C@@H](O)C1(CNS(=O)(=O)CBr)CC1	782476756	GSTMONBRXNKFGA-MRVPVSSYSA-N	300.218	1.055	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(F)(F)c1ccc(OC)cc1	887145636	LSDOBWSJJBVSJV-UHFFFAOYSA-N	310.300	1.738	50	20	DDGD	
COCC[C@H](Cc1ccco1)NS(=O)(=O)CCCCl	882059119	STRWSYMYPALRQC-LLVKDONJSA-N	309.815	1.776	50	20	DDGD	
COCc1cccc(NC(=O)C(=O)NNc2ccccn2)c1	784792558	KAUGZSIKIIRUDU-UHFFFAOYSA-N	300.318	1.310	50	20	DDGD	
COCCCNC(=O)NN=C1CC[C@H](C(=O)O)c2ccccc21	789000344	HMYDPQSRMDWYRH-ZDUSSCGKSA-N	319.361	1.688	50	20	DDGD	
COc1ccc(OCC(=O)NN=C(C)c2coc(C)n2)cc1	788955508	WTPXJRMWGRUWRA-UHFFFAOYSA-N	303.318	1.911	50	20	DDGD	
O=C(NN=Cc1cc(Cl)cs1)N[C@@H]1CCS(=O)(=O)C1	782201713	RWXIJRQCJIRMMT-MRVPVSSYSA-N	321.811	1.222	50	20	DDGD	
CN1CCCC[C@@H](CNC(=O)NNc2cccc(C#N)c2)C1	897544899	ZVOALHPDNYNVJK-AWEZNQCLSA-N	301.394	1.916	50	20	DDGD	
CCn1cc(CC(=O)NNc2nc(-c3ccncc3)no2)cn1	780547596	IVGHHNLWONYEFE-UHFFFAOYSA-N	313.321	1.034	50	20	DDGD	
CC(C)Oc1cncc(C(=O)NNC(=S)NC(C)(C)C)c1	899996068	FLZXRWRCCOZWSE-UHFFFAOYSA-N	310.423	1.776	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@H](CC)[C@@H](C)O)cc1OC	789938511	COYCTIJDYFSICY-PWSUYJOCSA-N	324.377	1.262	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cccc(C(N)=O)c2)c1	780793543	ZLRVOFDQTYXCDY-UHFFFAOYSA-N	313.313	1.329	50	20	DDGD	
CCCn1cc(NC(=O)C(=O)NNc2cc(C)ccn2)cn1	783934325	PIBOZEUYQBJEPH-UHFFFAOYSA-N	302.338	1.078	50	20	DDGD	
CC(C)[C@@H](NC1CCOCC1)C(=O)NNc1ccc(C#N)cn1	899662282	QWLUJAGQXJGXHM-OAHLLOKOSA-N	317.393	1.190	50	20	DDGD	
CN1C(=O)CCC[C@H]1C(=O)NNc1nc(C(F)(F)F)cs1	896315392	UCIFRILNBFHGDT-LURJTMIESA-N	322.312	1.616	50	20	DDGD	
C=C(CBr)COC(=O)[C@@H]1CCC[C@H](C(N)=O)C1	795622538	YFMUEYVOJWJJIH-VHSXEESVSA-N	304.184	1.772	50	20	DDGD	
O=S(=O)(CBr)NCCOCc1ccccc1	272763131	CVHJXSSYBHMCCI-UHFFFAOYSA-N	308.197	1.475	50	20	DDGD	
O=C(NN=C1CCC12CCC2)C(=O)NN=C1CCC12CCC2	799864901	LMLHTJQHPWENFD-UHFFFAOYSA-N	302.378	1.859	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)OCc2ccnc(N)c2)cc(C#N)n1C	791661689	OXIGGXCHLQQJLZ-MKMNVTDBSA-N	321.340	1.833	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccnc(-n2ccnc2)c1	791243200	MIKVODFWTXGZKO-UHFFFAOYSA-N	320.316	1.067	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)NCC(F)(F)F)c1C	798314288	FFXPBYKQUXPHBD-UHFFFAOYSA-N	321.303	1.498	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CCc1cnccn1	793776925	MMVWBSQHWVHEHU-UHFFFAOYSA-N	300.318	1.339	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42	793602892	ZAKAGIJXYOSAGP-VJSHGTGQSA-N	323.396	1.166	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccc2ccccc2n1)[C@@H](C)O	790069871	FMHGVPZAWREBMY-PWSUYJOCSA-N	301.346	1.403	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C[C@H]2CCCOC2)cc1OC	792788779	DHPWCAMYHDSXKG-LLVKDONJSA-N	322.361	1.282	50	20	DDGD	
O=C(NNC(=O)c1ccnn1-c1ccccc1)c1ccccc1	791442817	LKLOPLJNLZVMOX-UHFFFAOYSA-N	306.325	1.947	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)c1ccc(=O)n(CC)n1	799760292	DTVXFBZEQUEKNJ-UHFFFAOYSA-N	300.362	1.891	50	20	DDGD	
CCC[C@H](CCCS(C)(=O)=O)C(=O)NN=c1cc[nH]cc1	790015223	COBQTBAFHRIQED-GFCCVEGCSA-N	313.423	1.188	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCOC2CCC2)cc1	1318839405	NJROIYPMCXZWSE-UHFFFAOYSA-N	307.350	1.208	50	20	DDGD	
N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)S(N)(=O)=O	1325172285	DKSZVBZZHMSMDY-KPKJPENVSA-N	318.310	1.798	50	20	DDGD	
O=C(CCO)NN=C1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]12	1323611074	ZLCFNAVOXKLPKW-JKSUJKDBSA-N	315.417	1.773	50	20	DDGD	
CC(C)C1CN(C(=O)C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	1328549102	ZCLAWNSFDJIJMQ-GXFFZTMASA-N	317.227	1.391	50	20	DDGD	
CC(C)(C)NCC(=O)NNC(=O)NCc1ccc(Cl)cc1	1320949906	CPVJYLRVZJKEHM-UHFFFAOYSA-N	312.801	1.559	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@H]1CCC[C@@H](F)C1	1326766492	ITRXHWGMSHDIMB-OLZOCXBDSA-N	323.368	1.849	50	20	DDGD	
O=C(CCO)NN=Cc1sc(N2CCCC2)nc1Cl	1339926534	AAWJCSXJHQYQBT-UHFFFAOYSA-N	302.787	1.229	50	20	DDGD	
C[C@H](NNC(=O)c1ccc2nnc(C(F)F)n2c1)C(F)(F)F	1335312841	FDKFCSOTYIMVIO-YFKPBYRVSA-N	323.225	1.852	50	20	DDGD	
CO[C@H]1CCC[C@H]1C(=O)NNC(=O)CCCc1ccccc1	1337112575	AHPALQGSZABGGE-CABCVRRESA-N	304.390	1.972	50	20	DDGD	
Cc1c(C(F)(F)F)n[nH]c1C(=O)NNC(=O)CC(F)(F)F	1337267697	FHDORGSFRUOICZ-UHFFFAOYSA-N	318.177	1.450	50	20	DDGD	
CCC(C#N)(CC)C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1261789709	MYGBBLGWLLVWEJ-UHFFFAOYSA-N	303.366	1.379	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNC(=O)c1ccccc1Cl	1261296984	OEDONEIHIRGUOW-NEPJUHHUSA-N	311.769	1.852	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C[C@H]2C[C@H]3CC[C@H]2O3)cc1	1348442677	OMENCJOUUZGNIK-MRVWCRGKSA-N	304.346	1.414	50	20	DDGD	
Cc1ccc(C)c(-c2cc(C(=O)NNC(=O)[C@@H]3C[C@H]3F)n[nH]2)c1	1346722374	SDWXXBYCCFJHHQ-VXGBXAGGSA-N	316.336	1.813	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1ccc(SC)cc1	1340346732	ZMUDEXFSCCLYRO-UHFFFAOYSA-N	319.386	1.298	50	20	DDGD	
COC1(OC)CC(CNC(=O)NNc2ccc(Cl)nn2)C1	1346361164	RPOMEVYZFWAHHQ-UHFFFAOYSA-N	315.761	1.155	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cnc(C(C)C)[nH]1	1341604954	PPLCLRBNNCSWJP-UHFFFAOYSA-N	301.441	1.005	50	20	DDGD	
O=C(O)c1ccc(Cl)c(COc2ccc(B(O)O)cc2)c1	1608892870	KBVJCYZPVHUDMD-UHFFFAOYSA-N	306.510	1.297	50	20	DDGD	
O=C(O)[C@H](CF)NS(=O)(=O)c1ccc(CCCl)cc1	1601649765	XKKQDPGKGNNWKG-JTQLQIEISA-N	309.746	1.169	50	20	DDGD	
Nc1ccc(Cl)cc1C(=O)NNc1ccc(C(=O)O)cn1	1608273089	QLJFZAZFWUVJFP-UHFFFAOYSA-N	306.709	1.772	50	20	DDGD	
CC[C@@H](C(=O)O)C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1	1609885935	BANWKIZMGXDCRY-SSDOTTSWSA-N	322.346	1.010	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2ccsc2)oc1C(=O)O	1607580436	NOBNBTLXWAZJJJ-UHFFFAOYSA-N	308.315	1.351	50	20	DDGD	
CCCN(CC(=O)O)S(=O)(=O)c1ccc(CCCl)cc1	1603667764	QKRUUOKIWYRXMB-UHFFFAOYSA-N	319.810	1.953	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H](CC(=O)O)C1CC1	1610619095	QAMBHNGFXFTGNN-YRBHFNIASA-N	300.314	1.669	50	20	DDGD	
O=C(NNc1ncccn1)Nc1ccc(F)c(C(=O)O)c1F	1610701034	YXXSBUKFFMSDNK-UHFFFAOYSA-N	309.232	1.602	50	20	DDGD	
COC[C@H](C)C=NNC(=O)[C@H]1CCCO[C@H]1c1ccnn1C	1549314420	CWCQVQGUHLZTRG-MBNYWOFBSA-N	308.382	1.272	50	20	DDGD	
O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ccc(C(=O)O)cn1	1610674449	RUFHTLBJTYOLEU-UHFFFAOYSA-N	316.273	1.374	50	20	DDGD	
CC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)OC	1802389231	KFGRMNVKMAZFNI-LBELIVKGSA-N	316.829	1.677	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@@H]1CN1CCC([C@@H]2OCC[C@@H]2C(N)=O)CC1	1550631934	KMMZZHSDSKDYAW-HNGSFYKJSA-N	300.830	1.462	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@H]1C=NNC(=O)c1cn[nH]c1	1552672086	DUBVHELPRLTWLU-JQWIXIFHSA-N	302.338	1.027	50	20	DDGD	
Cn1ccc(NNC(=O)[C@@H](N)c2ccccc2C(F)(F)F)n1	1579973285	ZHIHHAMPRBQBLW-NSHDSACASA-N	313.283	1.582	50	20	DDGD	
CNCCOc1cccc(C(=O)NN(C)C(=O)OC(C)(C)C)c1	1578712851	XCLCWGTYRTZTBY-UHFFFAOYSA-N	323.393	1.797	50	20	DDGD	
C[C@H](NNC(=O)[C@H]1NCCc2cc(C#N)ccc21)C(F)(F)F	1576249716	BWEDIBPKAHRAIZ-UFBFGSQYSA-N	312.295	1.317	50	20	DDGD	
CC(C)(CC(=O)NNC(=O)NC1CCNCC1)CC(F)F	1575297707	JEELCOLFNBGXDE-UHFFFAOYSA-N	306.357	1.140	50	20	DDGD	
C=C(CCC(=O)OC)C(=O)NNc1cccc(F)c1C(=O)O	1588633048	GVSQYEHCUNDNON-UHFFFAOYSA-N	310.281	1.476	50	20	DDGD	
CC1(C(=O)N2CC3(CCCN3C(=O)C(Cl)Cl)C2)CC1	1846387168	OXTVIPBLEHTCMD-UHFFFAOYSA-N	305.205	1.794	50	20	DDGD	
O=C(O)C1(C(=O)OCCCI)CC=CC1	1594876949	TVPBOJYHNNQIJJ-UHFFFAOYSA-N	324.114	1.776	50	20	DDGD	
CC1(C)OC[C@H]2C[C@]21C(=O)NNc1cccc(C(=O)O)c1F	1593976091	GKVXHSWSIXOFAV-ANRSDYALSA-N	308.309	1.782	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](NC(=O)NNc2cccc(C(=O)O)c2C)C1	1598907113	VYPGEDDQQCVGJA-AOOOYVTPSA-N	321.333	1.271	50	20	DDGD	
CCOc1cc(C(=O)O)ccc1NC(=O)NNC(=O)C1CC1	1597020684	MIHKZEUGTGDDHM-UHFFFAOYSA-N	307.306	1.346	50	20	DDGD	
O=C(NNc1ccccc1Cl)c1cccc(-c2nn[nH]n2)n1	1593166698	JXDHWRIQAFSRTQ-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
C[C@H]1CC[C@H](CNC(=O)NNc2ccc(F)c(C(=O)O)c2)O1	1594305435	NFGUFYNBYBAQNL-WCBMZHEXSA-N	311.313	1.718	50	20	DDGD	
Cc1ccc(-c2nn[nH]n2)cc1C(=O)NNc1ccc(F)cn1	1592098904	CRXSBHULGILWMP-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
O=C(NN=C1CCc2cccc(C(=O)O)c21)c1ccc(CO)o1	1776097220	SDHCCUMUYSCCOY-UHFFFAOYSA-N	314.297	1.550	50	20	DDGD	
O=C(CC(F)(F)F)NN=Cc1c(C(=O)O)ccc2c1OCO2	1776036535	WFIAKDFLDMTCGR-UHFFFAOYSA-N	318.207	1.516	50	20	DDGD	
N#Cc1ccc(C(=O)O)c(C=NNC(=O)N=c2cc[nH]cc2)c1	1776078035	YBVVDQUXGAIAPX-UHFFFAOYSA-N	309.285	1.229	50	20	DDGD	
O=C(O)c1nn(C2CCOCC2)cc1C=NNC(=O)C1CCC1	1776043644	HGEOFWCTWHFJKZ-UHFFFAOYSA-N	320.349	1.183	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H]1CCC[C@H](C(=O)O)C1	1776293740	FIWZIRQSIJMCIU-VHSXEESVSA-N	311.831	1.814	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNC(=O)c1cccc(Cl)c1)C(C)C	5065792	YPQUUAAJAINHGW-GFCCVEGCSA-N	311.769	1.262	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNC(=O)c1cccc(Cl)c1	19596223	CXFUDGUCOPCNQT-UHFFFAOYSA-N	307.737	1.949	50	20	DDGD	
COC(=O)NNC(=O)c1nn(-c2ccc(C)cc2)c2c1CCC2	158886126	OVFQPSMTGMSRFV-UHFFFAOYSA-N	314.345	1.670	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc(C(=O)NC(C)C)cc1	163080515	PREGULZRXDSICM-UHFFFAOYSA-N	306.366	1.177	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C=C2CCC2)cc1OC	151089206	NMRNKEAPXJJIQM-UHFFFAOYSA-N	304.346	1.965	50	20	DDGD	
COCCC1(C(=O)NNC(=O)c2ccc(C#N)cc2)CCC1	151351753	IRJDUJPVIIOCAW-UHFFFAOYSA-N	301.346	1.526	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H]2CCCCO2)c1	153502350	WIEXBPJQYRBAJC-CYBMUJFWSA-N	303.387	1.555	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1cccc(OC(F)(F)F)c1	155656142	WFQYEHSAMXVAEP-UHFFFAOYSA-N	320.271	1.300	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CCOC[C@@H]2CCCO2)c1	155912786	IEXFCOVIQBYRCI-ZDUSSCGKSA-N	312.341	1.863	50	20	DDGD	
O=S(=O)(NC[C@@H]1COCCO1)c1ccc(CCl)cc1	311642316	XTUCINMLRYCRQI-LLVKDONJSA-N	305.783	1.119	50	20	DDGD	
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)CCl	830446150	UUYSITKJKKIXJG-SECBINFHSA-N	312.819	1.454	50	20	DDGD	
CCS(=O)(=O)CCN(C)NC(=O)OCc1ccccc1	859387634	FPWCEFIXUOBJBV-UHFFFAOYSA-N	300.380	1.194	50	20	DDGD	
O=C(NNC(=S)Nc1ccc2c(c1)OCO2)C1CCCC1	6633494	PDNJYFLTCRBDJA-UHFFFAOYSA-N	307.375	1.923	50	20	DDGD	
O=C(CCc1nc2cccnc2[nH]1)NNC(=O)c1ccccc1	109931505	VNHDPBXHTYEQAT-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CC(C)(C)C)cc1[N+](=O)[O-]	103198900	HMNOXYCDIKUPLW-UHFFFAOYSA-N	309.322	1.801	50	20	DDGD	
CCOC(=O)c1nn(-c2ccccc2)cc1/C=C(/C#N)C(=O)NC	54802414	FIKDMYILYGRLSC-XFXZXTDPSA-N	324.340	1.702	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1	178951838	JYFRNCUVNGUUMT-PCGPPNOCSA-N	309.410	1.434	50	20	DDGD	
O=C(NCc1ccc(OC(F)F)cc1)NNc1cccnn1	172437603	FMAHCOVICNMUGW-UHFFFAOYSA-N	309.276	1.904	50	20	DDGD	
Cc1nc2ccccc2cc1C(=O)NNc1ncnc2nc[nH]c12	173948594	HQNARFRIGVDDAK-UHFFFAOYSA-N	319.328	1.966	50	20	DDGD	
CCCCCCC(=O)NNC(=O)Cc1cn2ccccc2n1	173882034	VWDHNOLUBVMIFQ-UHFFFAOYSA-N	302.378	1.995	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H](c2cccs2)N(C)C)nn1	106327050	UBGWTIAWJMNGNE-NSHDSACASA-N	320.422	1.776	50	20	DDGD	
Cc1cc(C)c2cc(C(=O)NNC(=O)c3c[nH]nc3C)[nH]c2c1	109858367	XXPBBCLIYSCEDK-UHFFFAOYSA-N	311.345	1.891	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1ccncc1)[C@H]1C[C@@H]2CC[C@@H]1C2	176132849	PEYZGOLDAJGZRW-ZGKBOVNRSA-N	316.405	1.779	50	20	DDGD	
C[C@@H]1CC[C@H](CCC(=O)NNC(=O)c2ccc(Cl)nc2)O1	175496058	GWUOHCTWASICFK-MWLCHTKSSA-N	311.769	1.844	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)CC[C@@H]2CCCCO2)c1	110165954	MTNWBCCOUHBHDK-HNNXBMFYSA-N	319.405	1.863	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1ccc2nccn2c1	66784367	SVAOAFBGBCUPCG-UHFFFAOYSA-N	312.304	1.477	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cccc2cccnc12	172198379	RYYOJEVTWKBLIB-JTQLQIEISA-N	307.375	1.590	50	20	DDGD	
Cc1ccc(NNC(=O)Nc2cccnc2N2CCCC2)nn1	171549181	RNUGJZAOVLDCDN-UHFFFAOYSA-N	313.365	1.929	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)c2ccccc2C)[nH]n1	178705918	KNMBSMDBJMPYSJ-UHFFFAOYSA-N	300.362	1.765	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)c1ccccc1)c1ccc(C)o1	175695532	LAIQTBUTIXBDOS-ZDUSSCGKSA-N	317.345	1.920	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1cccnc1Cl	66784816	PCVWXQANQOIGIM-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
N#CCCCCNC(=O)NNC(=O)COc1ccc(F)cc1	171450490	HUCSXLIYJARTOF-UHFFFAOYSA-N	308.313	1.229	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC2CCN(CC3CC3)CC2)o1	177268673	DNSDLYPYYMBBTO-UHFFFAOYSA-N	320.393	1.406	50	20	DDGD	
COCc1nc(C)c(C(=O)NNC(=O)c2ccccc2)s1	121756482	BOAXDRCUNPZQLH-UHFFFAOYSA-N	305.359	1.673	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC(C)(C)C2=CCOCC2)o1	1341708572	MYUHGVOYCQBANI-UHFFFAOYSA-N	321.377	1.905	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)CN(C)C(C)C)c1C	60161754	MOOSZIYAOQJZCH-CQSZACIVSA-N	321.421	1.558	50	20	DDGD	
O=C(CO)NNC(=O)c1ccc(-c2ccc(F)cc2)cc1F	182743705	GUASPGSJMBVRRK-UHFFFAOYSA-N	306.268	1.385	50	20	DDGD	
O=C(/C=C/c1cccnc1)NNC(=O)COCc1ccccc1	78192944	ALUYULXJZXFNGY-CMDGGOBGSA-N	311.341	1.459	50	20	DDGD	
O=C(NNc1ccncc1)[C@H]1CCCN(C(=O)N2CCCC2)C1	180504372	LAPZMAKLQGGSOV-ZDUSSCGKSA-N	317.393	1.453	50	20	DDGD	
CNC(=O)CC1CCN(S(=O)(=O)CCCCCl)CC1	154513038	JUFGUGHMZFFYBJ-UHFFFAOYSA-N	310.847	1.183	50	20	DDGD	
CCO[C@@H]1C[C@@](N)(C(=O)NNc2ccccc2[N+](=O)[O-])C1(C)C	187192135	MOCGDTKKGDGMBH-IUODEOHRSA-N	322.365	1.570	50	20	DDGD	
CCC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	75563716	UUUIQUCYMXSKJD-LLVKDONJSA-N	305.378	1.826	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)n1	127722946	GGOXUKPWCOPAAI-GHMZBOCLSA-N	320.397	1.045	50	20	DDGD	
O=C(C[C@H]1C(=O)Nc2ccccc21)NNc1ccnc(F)c1	182447211	NUEPUHVRNLGMGS-LLVKDONJSA-N	300.293	1.790	50	20	DDGD	
CC[C@@H]1CCCCN1CCNC(=O)NNC(=O)OC(C)(C)C	77644856	YTVRVZGOTHGDKG-GFCCVEGCSA-N	314.430	1.990	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1	129419652	XZTMWQRBMPWWDJ-UHFFFAOYSA-N	314.754	1.543	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H](C)CN2CCCCC2)n1	181421051	WMZNJOCMZULQTR-GFCCVEGCSA-N	307.398	1.591	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)N[C@@H]1CCSC1	75466979	CZFAMZYGUJHQPZ-SECBINFHSA-N	304.375	1.617	50	20	DDGD	
Cc1coc2ccc(NC(=O)NNC(=O)Cc3cc[nH]n3)cc12	188017010	VRRKWLCEJPTXDF-UHFFFAOYSA-N	313.317	1.860	50	20	DDGD	
COc1cccc(NNC(=O)CSCc2cscn2)n1	180710932	YBQYXOMRKGRTKB-UHFFFAOYSA-N	310.404	1.923	50	20	DDGD	
CCNC(=O)NNC(=O)COc1ccccc1Br	134446670	IXHKBXUPPSIVBA-UHFFFAOYSA-N	316.155	1.178	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2cccc(CO)c2)o1	84437709	XXIKTPNFXWLNEC-UHFFFAOYSA-N	303.318	1.225	50	20	DDGD	
O=C(NCCc1ccccc1F)NNC(=O)c1ccccc1O	43480736	RMRISKCIXJXNFK-UHFFFAOYSA-N	317.320	1.718	50	20	DDGD	
O=C(NNc1ccccc1F)C(=O)Nc1ccc(Cl)cn1	193834480	ROGDRKCFVDJPIR-UHFFFAOYSA-N	308.700	1.956	50	20	DDGD	
Cc1noc(C)c1CSCC(=O)NNC(=O)NC(C)C	49469128	NPHTYGWNDSXQIS-UHFFFAOYSA-N	300.384	1.263	50	20	DDGD	
COCCOc1ccc(CC(=O)NNc2ccccn2)cc1	192203035	NDHNVGYNKIISIA-UHFFFAOYSA-N	301.346	1.793	50	20	DDGD	
O=S(=O)(N[C@H](CCO)C1CC1)c1ccc(CCl)cc1	914176037	VFQNINRYIYARAD-CYBMUJFWSA-N	303.811	1.865	50	20	DDGD	
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NNC(=O)c1ccc[nH]1	93906510	YPCXFSJYOMDAIN-UHFFFAOYSA-N	316.317	1.923	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NN=Cc1ccccc1O	256017162	RFJOFWGYKHXMGT-UHFFFAOYSA-N	315.285	1.830	50	20	DDGD	
Cn1nccc1/C=C(/C#N)c1nc(N)nc(Nc2ccccc2)n1	255911420	QDHLJCKTZQPXPJ-LUAWRHEFSA-N	318.344	1.995	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1CCc2cn[nH]c2C1	266249892	RPTLZPGSTAEWJT-SECBINFHSA-N	301.306	1.566	50	20	DDGD	
COC(=O)c1cc(/C=C(\C#N)C(=O)NCCCOC(C)C)c[nH]1	267828456	ZUQYRAGGHNRKHJ-NTUHNPAUSA-N	319.361	1.640	50	20	DDGD	
C[C@@]1(CCCC(=O)NNc2ccccc2F)NC(=O)NC1=O	269581823	KLOLKISKJIGFQK-AWEZNQCLSA-N	308.313	1.037	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NC[C@@]1(C)CCO[C@H]1C1CC1	364166941	CTDHZHGQCPAOFR-XJKSGUPXSA-N	311.426	1.958	50	20	DDGD	
C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccc[nH]1	266939498	QEYLJGUBYUCUJW-JTQLQIEISA-N	324.381	1.279	50	20	DDGD	
COC(=O)c1cn([C@H]2CCN(/C(=C/C#N)c3ccccc3)C2)nn1	363891950	BFDUAOVATKUENT-WBNYAZSOSA-N	323.356	1.876	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(Cl)c(C(N)=O)c1	273302603	FVFHTPYFEQEFSP-SSDOTTSWSA-N	312.757	1.638	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCC(=O)c1ccc(OC)cc1	272695639	RQFMECUWIKGHPQ-UHFFFAOYSA-N	307.350	1.351	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)NOC2CCCC2)cc1	271722431	LXGDLFRBVLIYLK-UHFFFAOYSA-N	323.349	1.279	50	20	DDGD	
COC(=O)COc1ccc(NC(=O)NNC(=O)CC(C)C)cc1	273300440	FNFMNZVAEAAJHT-UHFFFAOYSA-N	323.349	1.437	50	20	DDGD	
Cc1cnc2c(c1)N(S(=O)(=O)CBr)CCO2	272754774	BBMJOMTVVUEWDV-UHFFFAOYSA-N	307.169	1.271	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)n1	274176246	DDVDNJDLRYCNGE-GHMZBOCLSA-N	307.354	1.069	50	20	DDGD	
COCCn1ccc(C(=O)NNc2cccc(C(=O)OC)c2)n1	275970701	DDHAUXFVYLLRAO-UHFFFAOYSA-N	318.333	1.073	50	20	DDGD	
CO[C@@H]1CCN(C(=O)NNC(=O)c2cccc(C)n2)[C@H](C)C1	282672090	KQQHOJFXXQNGNM-VXGBXAGGSA-N	306.366	1.244	50	20	DDGD	
COC(=O)N(C)NC(=O)CCc1c(C)nc(SC)nc1C	286284584	IXPOPXMOUUXYRJ-UHFFFAOYSA-N	312.395	1.477	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)CC#N)c(OC)cc1Cl	283705836	RUYCRZHNRWYOFQ-UHFFFAOYSA-N	312.713	1.424	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)[C@H]1C[C@@]12CCOC2	375184734	RQDNZHJJNQWDMX-CXAGYDPISA-N	313.357	1.215	50	20	DDGD	
Cc1noc(C(C)C)c1C(=O)NNC(=O)NCC(F)(F)F	281267149	PHUOFKWNXZVDJT-UHFFFAOYSA-N	308.260	1.613	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@H]1CCc2[nH]ncc2C1	287309271	WDUVBXFQZPIKPE-NSHDSACASA-N	312.377	1.715	50	20	DDGD	
COCCCONC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	287703904	FXNMXJHHVGGYGS-NTUHNPAUSA-N	302.334	1.196	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cn(CC)nc1C(F)(F)F	281435507	ZAVXGYGEFQXEGS-UHFFFAOYSA-N	307.276	1.228	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)c2cccc(N(C)C)c2)CC1	281468192	NOCKONUDXMNJQT-UHFFFAOYSA-N	305.378	1.330	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C2=CCCCC2)c1	289322274	CMTQQJQSPMGGFK-UHFFFAOYSA-N	303.362	1.755	50	20	DDGD	
O=C1CC(C(=O)NNC(=O)Nc2ccc(OC(F)F)cc2)C1	283681972	HOJCMBAUKJBXDJ-UHFFFAOYSA-N	313.260	1.420	50	20	DDGD	
C[C@H]1COCC[C@H]1CNC(=O)NNC(=O)c1ccc(C#N)cc1	288354478	YFIXKRMQJURPLM-FZMZJTMJSA-N	316.361	1.175	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccn(-c2cc(C)ccc2OC)n1	286474024	UUKIODJJZPDHNJ-UHFFFAOYSA-N	318.333	1.532	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNc1nc2ccccc2c(=O)n1C	280037877	ANZLGHCAZMPVBC-HNNXBMFYSA-N	304.350	1.192	50	20	DDGD	
CC1(O)CCN(C(=O)NNC(=O)c2cc3ccccc3o2)CC1	296270490	BDGGUQMGQXOZSN-UHFFFAOYSA-N	317.345	1.634	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)[C@H](C2CC2)N2CCCC2)c1	293951922	OWDOUCGXUSATOT-INIZCTEOSA-N	316.405	1.963	50	20	DDGD	
CCOc1ccc(NNC(=O)Cn2cc([N+](=O)[O-])nc2C)cc1	294293931	JUPNQXJPUKBPNG-UHFFFAOYSA-N	319.321	1.642	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](Cc1ccccc1)OC	294984391	PNJMYRHCYRMRAR-GFCCVEGCSA-N	302.334	1.186	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)cn1	802106756	UGGZINQTYXHBTE-UHFFFAOYSA-N	317.305	1.098	50	20	DDGD	
O=C(NNC(=O)C1CCC(O)CC1)Nc1cc(F)cc(F)c1	802007201	ASHKBLIEPUPMKN-UHFFFAOYSA-N	313.304	1.669	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@H]2CCCCC2(F)F)n1	295118153	WIQHWIXORZIBFX-ZCFIWIBFSA-N	305.716	1.981	50	20	DDGD	
COc1c(NC(=O)NNc2ncccc2F)cccc1C(N)=O	806403952	VFHMYNZSTTYWGY-UHFFFAOYSA-N	319.296	1.477	50	20	DDGD	
CNC(=O)NCCC(=O)NNc1cc(C(F)(F)F)ccc1F	293524292	NKGTZGUQNZJYMJ-UHFFFAOYSA-N	322.262	1.607	50	20	DDGD	
CCOCCCC(=O)NNC(=O)Nc1cc(F)cc(F)c1	802001450	WYHSAGZFEDLGDM-UHFFFAOYSA-N	301.293	1.934	50	20	DDGD	
N#CCCCCCC(=O)NNC(=O)COc1ccccc1F	805152666	HGFAQDMMDFLOFG-UHFFFAOYSA-N	307.325	1.826	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CC[C@H](n2cc(Cl)cn2)C1	290823267	XAFQVZRTNFREKQ-JTQLQIEISA-N	313.789	1.570	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1cn(Cc2ccccc2)nn1	804770418	ABNGATLPJZCWII-UHFFFAOYSA-N	312.308	1.617	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802118798	MXXBVCJICKSHIX-UHFFFAOYSA-N	322.409	1.968	50	20	DDGD	
C=CC(C)(C)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1	294345263	FQGHPJFIHFJTBK-UHFFFAOYSA-N	310.375	1.063	50	20	DDGD	
CN(NC(=O)Cc1ccccc1S(C)(=O)=O)c1ccccc1	806344805	PCQNRFBMHYZIBF-UHFFFAOYSA-N	318.398	1.800	50	20	DDGD	
O=C(/C=C/SCc1ccco1)NNC(=O)[C@@H]1CCCCO1	295832720	ZJNPOVZMLKOQFG-LZGFCCKTSA-N	310.375	1.743	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CNC(=O)Nc1ccccc1	807310964	BXQFSDPSAGXTDQ-UHFFFAOYSA-N	308.338	1.364	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc2nnc(S)n2c1	295186438	NJMPEKONHUWENS-UHFFFAOYSA-N	309.351	1.188	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H](C)NC(=O)c2ccco2)cc1	294489563	WYJIQBGGSROUFS-NSHDSACASA-N	317.345	1.940	50	20	DDGD	
N#Cc1ccc(NNC(=O)Nc2cccc3c2CNC3=O)cc1	806753199	KAKHGABNFOSANR-UHFFFAOYSA-N	307.313	1.950	50	20	DDGD	
Cc1ccccc1CCNC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	296521621	HONMXSMEQVJJHN-JSGCOSHPSA-N	305.378	1.435	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cnn(CCF)c1)c1ccccc1	806832207	LEBCNTZGCZBACY-AWEZNQCLSA-N	318.352	1.807	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802102512	SQHDVFSPARJMGM-SNVBAGLBSA-N	321.333	1.549	50	20	DDGD	
COC(=O)Cc1occ(C)c1C(=O)NNc1ccc(C#N)cc1	810681178	KTIMYNZFOAMONI-UHFFFAOYSA-N	313.313	1.932	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cccc(C#N)n1)c1ccccc1	810378827	IEUAVWJLPQZOHW-CQSZACIVSA-N	308.341	1.908	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc2c(c1)C(=O)CCCC2	817348571	OGHPLXQAAYFELR-UHFFFAOYSA-N	318.377	1.310	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NN=Cc1nccs1	814890084	HLLMOHCGFXNMHF-UHFFFAOYSA-N	312.395	1.898	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C1CCC(OC[C@@H]2CCCO2)CC1	819122947	MYKZNJGIEZNHGW-NRXISQOPSA-N	324.421	1.688	50	20	DDGD	
CSCc1cccnc1C(=O)NNC(=S)N[C@H](C)C1CC1	810635584	XPQHKCMPCYZFDD-SECBINFHSA-N	324.475	1.852	50	20	DDGD	
CC[C@@H](C(=O)NN=C1CCS(=O)(=O)CC1)c1ccccc1	814845663	RBLVJCHHUZJPML-CQSZACIVSA-N	308.403	1.861	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1C(=O)NNC(=O)COc1ccc(C#N)cc1	819004224	LGDOTMHJUQLLKK-DOMZBBRYSA-N	315.373	1.911	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H](C(=O)NNc1ncncc1F)C2	817081550	FUSAVKFRSCNIDQ-JTQLQIEISA-N	318.308	1.319	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCc1snnc1C	813848895	FPXDOTGJBUFFGI-UHFFFAOYSA-N	320.378	1.691	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCc2c(C#N)cccc21	817284243	NYYHVJAVZKQFKJ-UHFFFAOYSA-N	300.362	1.114	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1cc[nH]c1	817052519	FGDPYUADBANPIY-UHFFFAOYSA-N	308.363	1.022	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2ccccc2-n2cncn2)n1	814921567	RQYVXNOCMSNIFX-UHFFFAOYSA-N	306.329	1.735	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cccc2c1OC(F)(F)O2	823951051	OFKPKZWYAPDOAS-UHFFFAOYSA-N	301.249	1.362	50	20	DDGD	
CC(C)n1c(O)nc2ccc(C(=O)NNC(=O)C3CCC3)cc21	827215905	GPOJOYOXIXYVSU-UHFFFAOYSA-N	316.361	1.884	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NNC(=O)OC	497242511	BADBGXMYPGDHBU-VIFPVBQESA-N	303.359	1.409	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)C	822367792	KUVOCSSXQPOQMW-LBPRGKRZSA-N	313.442	1.757	50	20	DDGD	
CCCCCS(=O)(=O)CC(=O)NN(C)C(=O)OC(C)(C)C	496791999	PDPMPLNVDKJMKK-UHFFFAOYSA-N	322.427	1.490	50	20	DDGD	
COCCN(C)NC(=O)[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1	496970979	ZJEQGSUSYKSVQT-NSHDSACASA-N	315.414	1.099	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1	823940334	XFMFZJOCEJUFSL-LLVKDONJSA-N	308.378	1.599	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1	828275975	JQDYCPAGKCRFKT-NWDGAFQWSA-N	312.486	1.888	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCCc2ccc3c(c2)CCO3)cn1	490971292	ISXGVYLDEJLKLK-CXUHLZMHSA-N	322.368	1.621	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)nc1	496177637	XERGGIQCJGGVHL-MNOVXSKESA-N	322.365	1.447	50	20	DDGD	
COc1cc(C(=O)NN(C)[C@H](C)CO)ccc1C(F)(F)F	823912503	HOCFWKWJAJEPIS-MRVPVSSYSA-N	306.284	1.671	50	20	DDGD	
COC(=O)NNC(=O)C1(c2cncc(Br)c2)CC1	492307016	JHWOJBJYZKNDJK-UHFFFAOYSA-N	314.139	1.263	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1	823860382	QOCCACHQGPPAJV-UHFFFAOYSA-N	321.421	1.308	50	20	DDGD	
C[C@H](O)CN(CC(F)F)C(=O)[C@]1(C)C[C@H]1Br	909260795	AVOWMSBQORMCMA-NYNCVSEMSA-N	300.143	1.634	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1ccc(C(F)(F)F)cn1	905433016	OUCNBTXLDUGZFS-UHFFFAOYSA-N	314.267	1.219	50	20	DDGD	
CN1CC[C@@H](NCc2ccc(B(O)O)cc2F)c2ccccc21	585035348	RNJAXDGFRONDNQ-MRXNPFEDSA-N	314.169	1.176	50	20	DDGD	
O=C(C[C@@H]1CSc2ccccc2O1)NNC(=O)NC1CC1	825414647	MGYZKOKLZJXYGR-SNVBAGLBSA-N	307.375	1.423	50	20	DDGD	
C[C@H]1C[C@@H](CCNC(=O)NNC(=O)OC(C)(C)C)CCO1	495301351	DDAGWASFJDKEBN-QWRGUYRKSA-N	301.387	1.931	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cccc1[N+](=O)[O-]	831068239	ODDBJRNZLKTWGA-UWVGGRQHSA-N	322.321	1.481	50	20	DDGD	
O=C(C[C@@]12CCCC[C@H]1C2(F)F)Nc1cccc(B(O)O)c1	584912399	RMNWBIKSWKIQCX-OCCSQVGLSA-N	309.121	1.521	50	20	DDGD	
CCCCCCO[C@@H](C)C(=O)NNc1ccc(C(N)=O)nn1	839701499	QOMJJWGGLFBBAY-JTQLQIEISA-N	309.370	1.004	50	20	DDGD	
COc1cc(C(=O)NN=C2C[C@@H](C)O[C@@H]2C)cc(OC)c1OC	834921094	REGKIBHUZOBNLT-NXEZZACHSA-N	322.361	1.996	50	20	DDGD	
CC(F)(F)CCC(=O)NNc1ccccc1S(C)(=O)=O	732305315	IIEOFADAQHTKHK-UHFFFAOYSA-N	306.334	1.969	50	20	DDGD	
CC(C)c1n[nH]c(CNC(=O)[C@@]2(C)C[C@@H]2Br)n1	908550414	DSVQQCPUDBOPAR-CPCISQLKSA-N	301.188	1.718	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cn(-c2ccccc2CC)nn1	839718514	UANUDXOBYWBTEM-UHFFFAOYSA-N	316.365	1.136	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2CCC(O)CC2)cc1F	837057475	FNUFBZFZBMEKAT-UHFFFAOYSA-N	310.325	1.607	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)N[C@H]1CC12CCNCC2	831173906	UIPBETMXZFBXCL-AWEZNQCLSA-N	316.405	1.092	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@@H]1CCCC[C@@H]1[C@@H]1CCCO1	584911140	GKSLBHZWYLDJNR-XHSDSOJGSA-N	317.194	1.290	50	20	DDGD	
CCCN(Cc1ccc(OC)cc1)[C@H](C)C(=O)NNC(=O)CC	732199227	GKYNEFWDBZTYFL-CYBMUJFWSA-N	321.421	1.853	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C[C@@](C)(CN(C)C)c1ccccc1	834959240	HUFARVPNNQNHBX-KRWDZBQOSA-N	313.405	1.953	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)N[C@H]1CC(=O)N(CC)C1	838675037	JYJGLVSTFGZPMP-ZDUSSCGKSA-N	304.394	1.804	50	20	DDGD	
O=C(NNc1ncc(Cl)cc1Cl)C1(n2cnnn2)CC1	832394996	FAOSBYOVNBVBEC-UHFFFAOYSA-N	314.136	1.007	50	20	DDGD	
CC(C)[C@H](NCc1ccc(B(O)O)cc1)c1ccc(F)cc1	585040811	AXSIHBXAMXUKHP-KRWDZBQOSA-N	301.170	1.992	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=C1CCN(OC)CC1	834922314	OLUBNZSHYKCFFW-UHFFFAOYSA-N	305.378	1.757	50	20	DDGD	
CC(C)CO[C@@H](C)C(=O)NNC(=O)COCc1ccccc1	737629448	QXYLRZUSQGDGSD-ZDUSSCGKSA-N	308.378	1.412	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2ccc(C)nn2)cc1	839571608	FUCQSHJTMZGEKY-UHFFFAOYSA-N	314.345	1.187	50	20	DDGD	
CO[C@@H](c1ccc(F)cc1)[C@H](C)NCc1ccc(B(O)O)cc1	585035822	YJXSEQDJDXPABF-YVEFUNNKSA-N	317.169	1.371	50	20	DDGD	
O=C(NN=C1CCOC[C@@H]1CN1CCCCC1)[C@@H]1CCCCO1	834986872	RSMBWZVNVBMGRR-HOCLYGCPSA-N	323.437	1.550	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1	914749868	FMKKUZCHKDODDE-LBPRGKRZSA-N	317.389	1.403	50	20	DDGD	
O=C(CCc1ccccc1O)NN=C1CCN(C(=O)O)CC1	739258863	FKSOQTIFEJCYHI-UHFFFAOYSA-N	305.334	1.571	50	20	DDGD	
O=C(CC1CCOCC1)NNc1cc(O)nc2ncccc12	913992905	LGGWKUGQKHXBLK-UHFFFAOYSA-N	302.334	1.595	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@@H](O)Cc1cccc(Cl)c1	834802566	VTZXVUNZUMPRGH-WONIAPNHSA-N	308.765	1.804	50	20	DDGD	
CCn1cc(NC(=O)NNC(=O)c2ccc(Cl)cc2O)cn1	918542183	TZMWGMXPMOMUKZ-UHFFFAOYSA-N	323.740	1.729	50	20	DDGD	
CCOc1ccc(NNC(=O)NCc2ncnn2CC)cc1	838575004	PFHDFDQTMJDMKA-UHFFFAOYSA-N	304.354	1.523	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	841008743	BOQRUIMIQYKQTO-UHFFFAOYSA-N	302.281	1.180	50	20	DDGD	
CC(=O)c1cc(NC(=O)NNC(=O)[C@@H]2CCCCO2)ccc1C	847222985	KDMWWTYCZCUUAN-AWEZNQCLSA-N	319.361	1.919	50	20	DDGD	
C[C@H](Cn1ccnc1)NC(=O)NNC(=O)c1cccc(Cl)c1	916623175	HUVDIOGSVIBWGY-SNVBAGLBSA-N	321.768	1.569	50	20	DDGD	
CCOc1cccc(C=NNC(=O)[C@H](C)CN2CCOCC2)c1	915953140	QWZLOTJFUCKMOC-CQSZACIVSA-N	319.405	1.504	50	20	DDGD	
CCN(CC)c1ccc(C=NNC(=O)C[n+]2ccccc2)cc1	916271333	PUHDRUYEACYSRV-UHFFFAOYSA-O	311.409	1.971	50	20	DDGD	
Cc1cc(C)c2c(c1)C(=NNC(=O)N1CCOCC1)CCO2	745592311	VIGPJYLAJJYWEM-UHFFFAOYSA-N	303.362	1.832	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)C2CCCC2)c1C(F)(F)F	917105632	KPDFVNAXFZDRII-UHFFFAOYSA-N	304.272	1.390	50	20	DDGD	
CCn1nc(C(=O)NN=Cc2ccncc2)c2ccccc2c1=O	916321497	MGHZYKMTNPMEAZ-UHFFFAOYSA-N	321.340	1.575	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)c2ncccn2)cc1C	841354687	RDQOLHQCVSRZKU-UHFFFAOYSA-N	314.345	1.324	50	20	DDGD	
CC(C)[C@H](N)CNC(=O)NNC(=O)c1cn(C)c2ccccc12	841942950	DRJNZJRLYLJORF-CYBMUJFWSA-N	317.393	1.106	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1ccc(O[C@H](C)C#N)cc1	842554045	IJAKZOAOENKPSQ-TYNCELHUSA-N	301.346	1.853	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1ccccc1	843652399	SOHIWVAGAXENLJ-RBOXIYTFSA-N	306.362	1.121	50	20	DDGD	
CO[C@H](CC(=O)NNC(=O)CCc1ccccc1)C(F)(F)F	844361634	NXBXMYLRZCNSEC-LLVKDONJSA-N	318.295	1.734	50	20	DDGD	
COc1ccc(CCNC(=O)/C(C#N)=C/c2cnn(C)n2)cc1	840732976	MKKMEPNTONXWAD-UKTHLTGXSA-N	311.345	1.090	50	20	DDGD	
C=CCC1(CNC(=O)NNC(=O)c2ncccn2)CCCC1	841587369	OPZKJILJPGRQIV-UHFFFAOYSA-N	303.366	1.557	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)CN1CCCC1=O)CCC2	741836881	FPDVHQKNJNRHKX-UHFFFAOYSA-N	315.373	1.474	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)/C=C/c1ccc2[nH]ccc2c1	843661995	PKTKVCNBKPEQRZ-ACIZLPDLSA-N	313.357	1.754	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@H](C)N1CCCC1	746224810	JVBGUUANJJMUHV-NSHDSACASA-N	312.845	1.953	50	20	DDGD	
Cc1ncc(C(=O)NNc2cccc([N+](=O)[O-])c2C)c(N)n1	749289929	WJFBMQSRVCHEPY-UHFFFAOYSA-N	302.294	1.341	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1cnnn1-c1ccccc1	842561671	SANUXPVYOXHAPJ-JSGCOSHPSA-N	313.361	1.533	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1cn(C)nc1-c1ccccc1	842561765	MSGYEIFJUQECJL-DOMZBBRYSA-N	312.373	1.962	50	20	DDGD	
O=C(O)c1ccc(O)c(C=NNC(=O)c2ccccc2O)c1	740155155	NIPKYPFSZGUCLF-UHFFFAOYSA-N	300.270	1.560	50	20	DDGD	
CSCc1cccnc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843656264	AJVLKSSVAZRGQP-ONGXEEELSA-N	309.391	1.131	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)N[C@@H]1CCc2n[nH]cc2C1	921511401	VIHNQMHBOHQVIE-SECBINFHSA-N	307.304	1.872	50	20	DDGD	
CCC1(C(=O)OCC(=O)NNC(=O)c2cccs2)CCC1	751752854	CZNVIWPMZFQKQS-UHFFFAOYSA-N	310.375	1.633	50	20	DDGD	
C=CCN1C(=O)C(=NNC(=O)NCCCOC)c2ccccc21	920833285	LGEIVCYMZGQXGA-UHFFFAOYSA-N	316.361	1.259	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCc2ncccn2)c1C	855624731	TVEJBTOZBFVPEB-UHFFFAOYSA-N	314.345	1.648	50	20	DDGD	
C=CC[C@H]1CCCCC1=NNC(=O)N[C@H]1CCS(=O)(=O)C1	853292775	XLMUTMUAOPTKSJ-RYUDHWBXSA-N	313.423	1.595	50	20	DDGD	
CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NNc1ccc(Cl)cn1	852235237	WZHHXLOUCKRODU-UWVGGRQHSA-N	311.773	1.276	50	20	DDGD	
CCOc1cc(Cl)ccc1NC(=O)NNC(=O)COC	757674927	IDBDTFQXZAZRRH-UHFFFAOYSA-N	301.730	1.538	50	20	DDGD	
Cn1nc(C(=O)NNC(=S)NCC2CCC2)c2c1CCCC2	855092525	IFSMFUVDZRDLAO-UHFFFAOYSA-N	321.450	1.208	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCCc2cnn(C)c2)c1	858180230	NXPUREYQYUEQLJ-UHFFFAOYSA-N	321.406	1.367	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CSCC(C)=O)c1C	855625653	YZPVVOFIRHBIMB-UHFFFAOYSA-N	310.375	1.547	50	20	DDGD	
COCC(COC)NC(=O)NNc1cc(F)cc(Cl)c1	854114231	ZKQSORZTWOMTMJ-UHFFFAOYSA-N	305.737	1.767	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2scnc2Cl)nc1	759730786	ZFJHGKJFLYFTCQ-UHFFFAOYSA-N	312.738	1.735	50	20	DDGD	
C[C@]1(CNC(=S)NC2CCOCC2)C[C@@H]1Br	857204399	RETXFFPRTGZOAU-GXSJLCMTSA-N	307.257	1.803	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](CC)Cc1ccc(F)cc1	854281740	KLNUEYMLGYGJDC-CYBMUJFWSA-N	311.357	1.514	50	20	DDGD	
Cc1onc(N)c1S(=O)(=O)NC[C@]1(C)C[C@H]1Br	856754061	BWFQHKMDZGOEQK-MUWHJKNJSA-N	324.200	1.017	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)C2CCCC2)cc1C(N)=O	756327472	UMYIGFGLMDNMII-UHFFFAOYSA-N	304.350	1.437	50	20	DDGD	
CCOc1ccc(C[C@H](C)C(=O)NNC(=O)c2cc[nH]n2)cc1	855355192	RARLOBHJTXMXSD-NSHDSACASA-N	316.361	1.448	50	20	DDGD	
CNC[C@@H]1CCCN1C(=O)NC[C@]1(C)C[C@H]1Br	857106095	YNVZCKRAZHTWJI-UMNHJUIQSA-N	304.232	1.553	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)CCc1ccccc1)OCC(F)(F)F	856021738	LKIXQWKKMGMVBO-JTQLQIEISA-N	320.267	1.300	50	20	DDGD	
O=C(NNC(=O)c1cc2cccn2cn1)NC1CCCCC1	929246600	SMAHVRNLFHQMLL-UHFFFAOYSA-N	301.350	1.611	50	20	DDGD	
CC[C@H](C)CC[C@@H](O)CC(=O)NNC(=O)C1CCOCC1	923058865	MQSGLGPJSDKIEX-WCQYABFASA-N	300.399	1.138	50	20	DDGD	
COc1ccc(C(=O)CCCC(=O)NNc2cnnn2C)cc1	857270428	BSIWVWGWTPXFMX-UHFFFAOYSA-N	317.349	1.320	50	20	DDGD	
CN1C[C@@H](C(=O)OC[C@@H](CBr)C2CC2)CC1=O	859492796	RROKZGXIXVCZPY-VHSXEESVSA-N	304.184	1.429	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=Cc1ccc(O)c(F)c1	755618919	UUWSAEZGXUWBTD-UHFFFAOYSA-N	322.321	1.008	50	20	DDGD	
CCc1ccc(CC(=O)NNC(=O)NC2CCCCC2)nc1	854191927	DBUNURXCWVPEMJ-UHFFFAOYSA-N	304.394	1.850	50	20	DDGD	
CC#CC[C@H](CO)NC(=O)NC[C@]1(C)C[C@@H]1Br	856961222	XIEVIKVLSOIELR-SCVCMEIPSA-N	303.200	1.233	50	20	DDGD	
CC(=O)N[C@@H](CCC(C)C)C(=O)NNc1ccccc1[N+](=O)[O-]	854145763	YCRSUYOXLROZHR-ZDUSSCGKSA-N	322.365	1.979	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cccn1Cc1ccncc1	751325350	KUMAZSXEYMGMEG-UHFFFAOYSA-N	312.373	1.883	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(C(N)=O)nn1)c1cccc(Cl)c1	757404090	JROMZXBZDKMTGY-MRVPVSSYSA-N	319.752	1.476	50	20	DDGD	
C[C@@H](CCC(C)(C)C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1	754043850	SRCKUTKRNFAKPY-QWRGUYRKSA-N	318.439	1.031	50	20	DDGD	
CC(=NNC(=O)c1cc[nH]n1)c1ccc(N2CCCC2=O)cc1	853392129	DZQZYMXNOXSMSW-UHFFFAOYSA-N	311.345	1.691	50	20	DDGD	
CC(C)(C)n1cnc(C(=O)NC[C@]2(C)C[C@@H]2Br)n1	857387292	GVFVHEUCZAAODF-UFBFGSQYSA-N	315.215	1.936	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)/C=C/c1cnccc1C	854386908	WQWAJEWSGBMHEK-BQYQJAHWSA-N	321.377	1.340	50	20	DDGD	
CS[C@H](C)CC(=O)NNc1ccccc1S(C)(=O)=O	757096139	PQRFNFSZWOYVIZ-SECBINFHSA-N	302.421	1.675	50	20	DDGD	
CC(C)[C@H]1C[C@H](C(=O)NNC(=O)N=c2cc[nH]cc2)CCO1	935858393	WXNUPLPSKAAWON-DGCLKSJQSA-N	306.366	1.107	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(OCc2cccnc2)cc1	765835221	CUPFGLUYKOCEHB-UHFFFAOYSA-N	301.302	1.661	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](C)c2cnn(C)c2)c([N+](=O)[O-])c1	768328146	BQBOIPBOPAIBOU-VIFPVBQESA-N	319.321	1.584	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)Nc1ccc(OC)cc1)C1CC1	861566961	WWCKOUKLEFAXQD-CYBMUJFWSA-N	307.350	1.663	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1c(C)nc2ccnn2c1C	761146476	FZXGKBJSGGSDPN-UHFFFAOYSA-N	304.354	1.090	50	20	DDGD	
COCc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1F	869067944	KKHFXBHTWWUKKJ-SKDRFNHKSA-N	310.325	1.158	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccccc2SCC#N)n[nH]1	763118630	ILHBVBURNMNUEW-UHFFFAOYSA-N	315.358	1.409	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1ncc(F)cc1F	760472833	CWKHOZZZAXFYAM-UHFFFAOYSA-N	319.193	1.926	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cc(OC)c(C#N)cc1F	861264177	AMTCDYKPPUGZKT-QMMMGPOBSA-N	308.313	1.905	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2C[C@@H](C)N(C)C2)cc1C	761805241	XYGBDSFCSHEXDV-GFCCVEGCSA-N	302.378	1.438	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCCCCC1)c1ccnn1C	766001682	GWVXVVUWXWTITG-CYBMUJFWSA-N	305.426	1.772	50	20	DDGD	
Nc1cc(C(=O)NNCC(F)(F)C(F)(F)F)cc(Cl)n1	863094603	XOZGQGCDQFZORR-UHFFFAOYSA-N	318.633	1.749	50	20	DDGD	
CC1=C(C(=O)NNc2nc3ccccc3[nH]2)C(=O)OC1(C)C	768515367	QZYQKORMGDWZKK-UHFFFAOYSA-N	300.318	1.658	50	20	DDGD	
CC[C@H](OC1CCCCC1)C(=O)NNC(=O)NCCCOC	760450026	NDNXTOLJHPRZBT-ZDUSSCGKSA-N	315.414	1.481	50	20	DDGD	
O=C(NNC(=O)c1cncnc1)Nc1ccc(OC(F)F)cc1	760821110	YRWRQAVKQHQSGF-UHFFFAOYSA-N	323.259	1.545	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CC[C@@]2(C)CCC(=O)N2)c1	862477569	MTIIVPQPQRCVLM-CQSZACIVSA-N	309.391	1.266	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(-n2nnnc2C(C)C)c(C)c1	765272865	UUZBTEQJJFABCE-UHFFFAOYSA-N	317.353	1.267	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2ccc(OC(F)F)cc2F)N1	872392671	UIUFLBITFMDLAM-SNVBAGLBSA-N	315.251	1.156	50	20	DDGD	
CO[C@@H](C)CC(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874952011	WQAPDWXVQBPICN-JTQLQIEISA-N	310.423	1.495	50	20	DDGD	
CS(=O)(=O)c1cccc(NC(=O)NNc2ncccn2)c1	775468032	KNHDKQYDNVFQIS-UHFFFAOYSA-N	307.335	1.029	50	20	DDGD	
COC[C@@H](C)n1ccc(NC(=O)NNc2ccc(F)cn2)n1	879303199	LEWIGMFVKWWQIC-SECBINFHSA-N	308.317	1.773	50	20	DDGD	
CC(C)CNC(=O)c1ccc(NC(=O)NNC(=O)C(C)C)cc1	770338090	CUOAJJHQUYAZKD-UHFFFAOYSA-N	320.393	1.881	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@@H](F)Cc1ccccc1	777970864	BPXLLYMUFJNGMF-VIFPVBQESA-N	307.247	1.460	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=Cc1cccn1C1CC1	1117782131	BJDXMJIFCKKRPA-UHFFFAOYSA-N	311.345	1.098	50	20	DDGD	
Cc1ccoc1C(=O)NNC(=O)c1cncn1-c1ccccc1	1115827588	ASVJAZMFEBIHNB-UHFFFAOYSA-N	310.313	1.849	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)c2ccc(C(=O)O)cc2)[C@H]1OC	872411654	NJIWXVCJYUKOIB-CHWSQXEVSA-N	306.318	1.294	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)c2nc3ccccc3s2)C1	874914551	ZDULBWBXKNFUMZ-QMMMGPOBSA-N	303.343	1.427	50	20	DDGD	
CCCNC(=O)NNC(=O)CC1CCN(CC(F)F)CC1	874213856	HKTSTFMVFPYVFP-UHFFFAOYSA-N	306.357	1.094	50	20	DDGD	
CCCc1csc(NC(=O)NNC(=O)C2CCOCC2)n1	879120915	VIHYBZSSFWHOOT-UHFFFAOYSA-N	312.395	1.675	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)Cc2ccc(F)cc2)o1	770823342	MYXQIIIDRWRASZ-UHFFFAOYSA-N	304.277	1.625	50	20	DDGD	
COCC#CC(=O)NNc1cc(OC)ccc1Br	1118769869	FIAMFBQLMMWOAU-UHFFFAOYSA-N	313.151	1.551	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)Cc2ccccc2F)[C@@H]1C	1118877314	DLXOQUHSEKHVKE-RSQPEXBXSA-N	308.353	1.575	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)N[C@H]1CC12CCC2	872794893	RNWUPMAYOPHGOR-ZDUSSCGKSA-N	319.361	1.347	50	20	DDGD	
Cc1cccc([C@H](CC(=O)NNc2ccccn2)NC(N)=O)c1	777473793	MVEHUYCHVOIADE-ZDUSSCGKSA-N	313.361	1.633	50	20	DDGD	
CCSc1ccc(CC(=O)NNC(=O)C2CCOCC2)cc1	883066602	CQMSHYBNNCLCDX-UHFFFAOYSA-N	322.430	1.915	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCc2ccc(C(=O)OC)cc21	889454166	PCUSMJYBOVAISG-RAXLEYEMSA-N	300.314	1.806	50	20	DDGD	
O=S(=O)(CCCCl)NCCc1cn2c(n1)SCC2	882076678	MYFQRONZYFLRDQ-UHFFFAOYSA-N	309.844	1.080	50	20	DDGD	
NCCOCc1cn([C@@]2(Cl)C[C@@H]2CCBr)nn1	881382425	LZMJOJZUWIARBZ-WPRPVWTQSA-N	323.622	1.450	50	20	DDGD	
O=S(=O)(CCCCCl)NC[C@H](CO)Cc1ccco1	780786437	BISUMQBCSYPFBX-LLVKDONJSA-N	309.815	1.369	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)NNc1ccc(F)c(F)c1	885111163	UZWOOHYAESKMKL-UHFFFAOYSA-N	306.334	1.479	50	20	DDGD	
CCC(CC)n1ccc(C(=O)NNC(=O)C2CCOCC2)n1	883065988	FJHKHAYULJAZEH-UHFFFAOYSA-N	308.382	1.432	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CCC[C@](C)(C#N)C1	784172553	CSWQKFWKPZLQPT-MRXNPFEDSA-N	300.362	1.975	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)[C@H]1CCCCS1	783046246	KOPLHOGQHTZKDR-LLVKDONJSA-N	313.448	1.907	50	20	DDGD	
COCCn1ccc(NC(=O)NNc2ncncc2Cl)n1	782036092	FIGYEFGODQGXEQ-UHFFFAOYSA-N	311.733	1.122	50	20	DDGD	
CC(=O)N(C)c1ccc(S(=O)(=O)N2CC=C(C#N)CC2)cc1	780929023	TWCIYKAGOREKSQ-UHFFFAOYSA-N	319.386	1.514	50	20	DDGD	
Cc1csc([C@H](C)C(=O)NNC(=S)NC(C)(C)C)n1	899997524	WVIPGOWPYORRDR-MRVPVSSYSA-N	300.453	1.849	50	20	DDGD	
COc1cccc(NNC(=O)C#Cc2ccc3c(c2)OCO3)n1	781023895	MRSOJVITAJKDMR-UHFFFAOYSA-N	311.297	1.314	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc(F)cc2[N+](=O)[O-])n1	794087117	KCWBMGTVTLRMSF-UHFFFAOYSA-N	318.264	1.512	50	20	DDGD	
Cn1ccc(CCC(=O)NNC(=O)c2cccc(Cl)c2)n1	794182588	KICYTDTXCRMIBY-UHFFFAOYSA-N	306.753	1.467	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C1CN(C2CCCCC2)C1	899998872	XMHJWRDNAIFKEY-UHFFFAOYSA-N	312.483	1.545	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)C1CCC(O)CC1	792029435	ITAVHYCIDXMQLD-UHFFFAOYSA-N	310.781	1.581	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)Cc2cc[nH]n2)c(C)cc1C	797677544	WFRSPLILGNGHAR-UHFFFAOYSA-N	317.349	1.431	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1ccc([S@@](C)=O)cc1	790173024	CGICEBJFXICCRJ-JOCHJYFZSA-N	322.434	1.105	50	20	DDGD	
O=C(NNC(=O)c1cc(=O)c2ccc(F)cc2o1)NC1CC1	795587912	NTOPYHWMXJIESJ-UHFFFAOYSA-N	305.265	1.039	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2[nH]nnc2C)c2ccccc2n1	799011019	XCDGCFOSBDRZDG-UHFFFAOYSA-N	310.317	1.045	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)COc1ccccc1F	792801219	OAIVZCVTGCJXPT-IINYFYTJSA-N	312.341	1.413	50	20	DDGD	
COCc1cc(C=NNC(=O)COc2ccc(C)cc2)no1	794876776	JSFNIGUQWBSWAE-UHFFFAOYSA-N	303.318	1.659	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)CN2CCSC2=O)nn1	1318639155	HFPLPYBHXAGXBC-UHFFFAOYSA-N	309.395	1.386	50	20	DDGD	
COc1cc(C(=O)NNc2nncc(N)c2Cl)ccc1C	1319302936	KGEPMIZSUSAXPQ-UHFFFAOYSA-N	307.741	1.786	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1cnn(C2CCCCC2)c1	1318385783	MOUIJISTLAROFX-UHFFFAOYSA-N	313.361	1.858	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNc2ccn(C)n2)cc1OC	1320948138	AHQJDFBPLIMPOH-UHFFFAOYSA-N	318.377	1.858	50	20	DDGD	
Cc1ccc(Cl)cc1OCC(=O)NNC(=S)NC(C)C	1329806078	VQZCGYQIPFJJPS-UHFFFAOYSA-N	315.826	1.931	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)COCc2ccncc2)cc1	1323380358	OIHKACILNABWIN-UHFFFAOYSA-N	315.329	1.068	50	20	DDGD	
CN1C(=O)C[C@H](C(=O)NNC(=O)CC2CC2)c2ccccc21	1324332068	PKIPWYQSMBZCHB-LBPRGKRZSA-N	301.346	1.084	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1c[nH]cc(Cl)c1=O	1329656781	YTMVMRJADHVTRQ-UHFFFAOYSA-N	319.617	1.460	50	20	DDGD	
Cn1cc(C=NNC(=O)C[N+](C)(C)C)c2ccc(Cl)cc21	1329731701	PPQNFUSXXOIUDY-UHFFFAOYSA-O	307.805	1.988	50	20	DDGD	
CCO[C@H]1CCN(C(=O)NNC(=O)c2ccc(C#N)cc2)C1	1263078086	YGODIVVOAQOZOC-ZDUSSCGKSA-N	302.334	1.023	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC(F)(F)F)cc1C(=O)O	1600341031	JTNDRXRXWVRBFF-UHFFFAOYSA-N	319.239	1.200	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc(C)c(C(=O)O)o2)n1	1600512512	UBYRQLYEDSAVNW-UHFFFAOYSA-N	303.274	1.064	50	20	DDGD	
O=C(O)C(=O)NN=C1CCOc2c(Br)cccc21	1601638220	SDDCKDUACMLZDU-UHFFFAOYSA-N	313.107	1.137	50	20	DDGD	
Cc1c(NNC(=O)N[C@H]2CCCN(C)C2)cccc1C(=O)O	1607553579	WAZAEWVABQASQR-NSHDSACASA-N	306.366	1.414	50	20	DDGD	
Nc1nc(C2CC2)ncc1C(=O)NNc1ccccc1C(=O)O	1608275320	HNKCXENMJFSNOL-UHFFFAOYSA-N	313.317	1.391	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)nc1	1602324494	PPUWJHQTERUTQY-UHFFFAOYSA-N	302.246	1.445	50	20	DDGD	
Cn1c(C(=O)O)ccc1C(=O)NNC(=O)c1cccc(Cl)c1	1600902979	ASFVOXYVKAZNQO-UHFFFAOYSA-N	321.720	1.452	50	20	DDGD	
CC[C@H](C)[C@H](NNC(=O)c1cnn(-c2ccccc2)c1)C(=O)O	1604947206	QAAOZAPCXUYWNM-FZMZJTMJSA-N	316.361	1.606	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cc(F)c(O)c(F)c2)nc1	1608904477	VIBLMGUYPLCEAK-UHFFFAOYSA-N	309.228	1.521	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2ccc(-n3cccn3)nc2)c1	1602450076	HUKRKYKHBDRLRJ-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
C[C@@H](O)[C@H](NCc1ccc(OCCCCl)cc1)C(=O)O	1607425733	VESFPRGOFFQXEK-MFKMUULPSA-N	301.770	1.618	50	20	DDGD	
Cn1c(C(=O)O)ccc1C(=O)NNc1ccccc1[N+](=O)[O-]	1608083034	BDHMWJYWIVGFKT-UHFFFAOYSA-N	304.262	1.388	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1C(=O)O	1600455491	OSAFYXLODROGPO-KOLCDFICSA-N	321.333	1.271	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)c(F)c1)c1cc(C2CC2)[nH]n1	1610701834	YNWPCDYRHRPEQY-UHFFFAOYSA-N	304.281	1.881	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@H]1C=NNC(=O)[C@@H]1CCCO1	1552762870	MZHMFGZCSPMCQK-RWMBFGLXSA-N	306.366	1.262	50	20	DDGD	
CC(C)NCCC(=O)NNC(=O)c1nc2ccccc2s1	1575730298	GJPOUVLJPANXMU-UHFFFAOYSA-N	306.391	1.445	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CCC[C@@H](N)C1	1576295648	RHSBPKQAQSHNGW-GRYCIOLGSA-N	323.368	1.258	50	20	DDGD	
COc1cccc([C@H](N)C(=O)NNC(=O)NC2CCCCC2)c1	1579264119	GSTOTCTVGPQANI-AWEZNQCLSA-N	320.393	1.358	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@@H](C(=O)O)C1CCCC1	1574404294	CWCSMMXBXZZYMW-HNNXBMFYSA-N	318.373	1.576	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CC[C@@H](N)CC1	1576296038	XNKGZTIQHRJESH-SDDRHHMPSA-N	323.368	1.258	50	20	DDGD	
N[C@@H](Cc1cc2ccccc2o1)C(=O)NNC(=O)c1ccncc1	1580134063	HDCZBNZBOOXKDB-AWEZNQCLSA-N	324.340	1.159	50	20	DDGD	
CC(C)C[C@@H](C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1589544767	DCDKKZIWBPHRHF-SNVBAGLBSA-N	316.365	1.310	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@H]1CNc2ccccc2C1	1580737100	KJDAUTGPTAUUGV-CQSZACIVSA-N	310.357	1.667	50	20	DDGD	
N[C@@H]1CCC[C@H]1CC(=O)NNc1cccc2c1OC(F)(F)O2	1580378611	NMNHIFQBCSKCEQ-DTWKUNHWSA-N	313.304	1.969	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cccnc1)C2	1845163568	FLUBJSLDNUBOLZ-CYBMUJFWSA-N	321.808	1.916	50	20	DDGD	
CCOC(=O)N[C@H](C(=O)NNc1cccc(C(=O)O)c1)C(C)C	1596657209	CZEZSFZMNLDQKD-LBPRGKRZSA-N	323.349	1.599	50	20	DDGD	
Cc1csc(NC(=O)NNC(=O)CC(C)C)c1-c1nn[nH]n1	1592319441	CPPVSFZTDNVURX-UHFFFAOYSA-N	323.382	1.435	50	20	DDGD	
O=C(O)/C=C/c1cc(C(=O)NNC(=O)NC2CCCC2)co1	1594967538	AKDNTLSTZJLKIV-AATRIKPKSA-N	307.306	1.264	50	20	DDGD	
Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NN(C)C(=O)OC(C)(C)C	1591784498	QXPLFTXIJLNAKQ-UHFFFAOYSA-N	321.341	1.015	50	20	DDGD	
CN(C)C1(C(=O)NNc2ccc(C(=O)O)c(F)c2)CCCC1	1598178574	KVIXTULDHXFTTC-UHFFFAOYSA-N	309.341	1.841	50	20	DDGD	
Cc1ccnc(NNC(=O)c2cccc(-c3nn[nH]n3)c2C)c1	1592275258	FKWFBDSUVVMPBB-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1	1591362887	TYJIJYCCAGAVGP-NWDGAFQWSA-N	302.338	1.125	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)c2ccc(-c3nn[nH]n3)c(C)n2)c1	1591954733	YHTIZVSCSGROGE-UHFFFAOYSA-N	323.360	1.944	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NN=C1CCc2cccc(C(=O)O)c21	1776102045	FGVPGBVZRGLEJG-YPMHNXCESA-N	302.330	1.576	50	20	DDGD	
N#C/C(=C/c1cccc2[nH]nc(C(=O)O)c12)C(=O)N1CCCC1	1776122668	HJBIWOOXBYCTPJ-FLIBITNWSA-N	310.313	1.790	50	20	DDGD	
O=C(NN=Cc1cccnc1O)Nc1ccc(C(=O)O)cc1	1776046588	XKJLSEVKJJDPIF-UHFFFAOYSA-N	300.274	1.641	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccncc1	15384520	NXDRSHVXIUVQAR-SNVBAGLBSA-N	303.293	1.449	50	20	DDGD	
COC(=O)NNC(=O)c1cc(Cl)cc(Br)c1O	158939390	FUWZUGWXKKGMFF-UHFFFAOYSA-N	323.530	1.809	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1cncc(F)c1	164298260	SORVMWRBRIMZDB-UHFFFAOYSA-N	307.256	1.200	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncnc2ccsc12)c1nncn1C	151359542	XMYQDABKCQQPML-SSDOTTSWSA-N	318.366	1.207	50	20	DDGD	
C[C@H]1CCC[C@H](C(=O)NNc2nccc(N3CCOCC3)n2)C1	155578239	WPBHYNVIMWILGE-STQMWFEESA-N	319.409	1.583	50	20	DDGD	
COc1ccc(NNC(=O)c2c(C)nn(C)c2C)c([N+](=O)[O-])c1	155213253	GXQIAVPFAMKBHF-UHFFFAOYSA-N	319.321	1.711	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1cc(F)ccc1OC(F)F	156200066	WRVLAKMIVSHNSX-UHFFFAOYSA-N	320.271	1.141	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)Cc2ccc(C)nc2)n1	155771774	CKCUSSXCXDAQAF-UHFFFAOYSA-N	314.393	1.712	50	20	DDGD	
C=C(C)COc1cccc(NC(=O)NNC(=O)CN(C)C)c1	155982871	POJHASHMGHIEAG-UHFFFAOYSA-N	306.366	1.356	50	20	DDGD	
O=C1CCCCN1[C@H]1CCCN(S(=O)(=O)CCCCl)C1	881885674	NWJJVBNOJZQHFX-LBPRGKRZSA-N	322.858	1.422	50	20	DDGD	
O=S(=O)(NCc1cnoc1)c1ccc(CCCl)cc1	718871490	YETYGKDYLHXLLA-UHFFFAOYSA-N	300.767	1.934	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cc(F)cc(F)c2)n1	8292047	CXLDDNKLOHQQCX-UHFFFAOYSA-N	308.288	1.239	50	20	DDGD	
O=C(CNC(=O)c1cccc(Cl)c1)NNc1cnccn1	114879974	YKWBIBNJZIWCIH-UHFFFAOYSA-N	305.725	1.003	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccccc2C(F)(F)F)CCN1	177823099	LVRWYRPMFTVLBH-MRVPVSSYSA-N	301.268	1.675	50	20	DDGD	
Cc1cc(C)n(-c2ccc(C(=O)NNc3cnccn3)cn2)n1	114881544	PSKNOOJUSIROBW-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
CCN(CC)CC(=O)NNC(=O)c1cccc(OC(F)F)c1	103111586	JTGXRXUPKHKEFQ-UHFFFAOYSA-N	315.320	1.391	50	20	DDGD	
C[C@@](CO)(NS(=O)(=O)CCCCCl)c1ccccc1	134240044	KHPFNCQCJLBABZ-ZDUSSCGKSA-N	305.827	1.833	50	20	DDGD	
CO[C@H]1CCCN(C(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)C1	171118111	QDVXXDYCEPBHPR-VFXTVZEFSA-N	312.373	1.750	50	20	DDGD	
COCc1cc(CNC(=O)NNC(=O)C(C)(C)C)ccc1F	171660911	HPDOPQHGRPUZGQ-UHFFFAOYSA-N	311.357	1.849	50	20	DDGD	
CCN(Cc1ccccn1)[C@@H](C)C(=O)NNC(=O)CC(C)C	119803962	RWYHUDJSYPTNHG-ZDUSSCGKSA-N	306.410	1.486	50	20	DDGD	
Cc1cc(F)cc2c1CN(C(=O)NNC(=O)c1cn[nH]c1)CC2	1261791786	AUJSBKYEEQFSFH-UHFFFAOYSA-N	317.324	1.270	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1nnc(-c2ccccc2)s1	68595267	PBWKDZBAWZKBLU-UHFFFAOYSA-N	307.335	1.988	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H]2CCCOC2)c1	171024760	VTXDRBKVZFYTKH-CYBMUJFWSA-N	306.362	1.256	50	20	DDGD	
Cn1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1=O	28404585	FSIRUVCYKWKIFP-UHFFFAOYSA-N	305.721	1.114	50	20	DDGD	
COCCCOc1ccc(C(=O)NNc2cc(C)ncn2)cc1	176160513	OZLKEYZXBYMKGJ-UHFFFAOYSA-N	316.361	1.957	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1nccn1CC(F)(F)F	68274289	QXNZYKRGLRRXIM-YFHOEESVSA-N	316.283	1.505	50	20	DDGD	
COC[C@@H](NC(=O)NNc1cncc(Cl)n1)c1ccco1	175739504	FTLSKYRSCIRWHM-MRVPVSSYSA-N	311.729	1.737	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1c(O)cccc1O	125598411	PBWIEWONSMZXON-UHFFFAOYSA-N	311.297	1.654	50	20	DDGD	
CCc1ncc(NC(=O)NNC(=O)Cc2ccc(F)cc2)cn1	183326519	FHTONDADPZOSRH-UHFFFAOYSA-N	317.324	1.574	50	20	DDGD	
CCN(CC)C(=O)CCCC(=O)NNc1cccc(OC)n1	180685793	DVJCURHREZPBLY-UHFFFAOYSA-N	308.382	1.572	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H](C)c2cnn(C)c2C)n1	181041554	AATPZUFEKUMXOO-VIFPVBQESA-N	304.354	1.519	50	20	DDGD	
Cc1cc(F)c2nc(O)cc(C(=O)NNC(=O)N(C)C)c2c1	181138155	KDCRZFKAEIDKET-UHFFFAOYSA-N	306.297	1.304	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cnn(C)c2C)c(C)c1	121330478	VRPCWXMFIOPDRI-UHFFFAOYSA-N	315.377	1.218	50	20	DDGD	
Cc1ccc(NNC(=O)NCC[C@H](C)N2CCCCC2)nn1	182710023	GYKITMUXOYPXOP-ZDUSSCGKSA-N	306.414	1.676	50	20	DDGD	
CCC[C@@H]1C[C@H]1NC(=O)NNC(=O)CCOc1ccccc1	74927416	QTQLHPYPDVBERD-TZMCWYRMSA-N	305.378	1.975	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CC2CCCC2)ccc1C(N)=O	184991088	YJZYRXSGCNTYRG-UHFFFAOYSA-N	318.377	1.827	50	20	DDGD	
C[C@H](CNC(=O)NNc1cccnn1)N(C)Cc1ccccc1	77664194	UQACXYPKDCKWKK-CYBMUJFWSA-N	314.393	1.623	50	20	DDGD	
CNC(=O)[C@@H](C)CN(C)C(=O)/C(C#N)=C\c1ccc(F)cc1	183439992	GAKYXEWYAUNKKS-LFTLCWSBSA-N	303.337	1.573	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1cc(F)ccc1Cl	180967933	ZFWIQKDWBANVJJ-UHFFFAOYSA-N	315.732	1.611	50	20	DDGD	
CCc1onc(C)c1NC(=O)NNC(=O)Cc1cccnc1	183401260	VEFLSZMHFDYVDD-UHFFFAOYSA-N	303.322	1.336	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccnn1-c1nc(C)cc(C)n1	135062096	XKXJHNCGTIBRQV-FMIVXFBMSA-N	312.333	1.662	50	20	DDGD	
CCO[C@H](CCNC(=O)NNc1nc2ccccn2n1)C(C)C	189402332	KKQJRYQBQZRSNZ-GFCCVEGCSA-N	320.397	1.807	50	20	DDGD	
CCCSCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	48381576	ITPXYPVWZAEIAK-LBPRGKRZSA-N	310.375	1.117	50	20	DDGD	
Cc1ccc(C)n1-c1sccc1C(=O)NNC(=O)C(C)(C)O	190060972	AUIWALORFLSMMP-UHFFFAOYSA-N	321.402	1.688	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNc2cnc3ccccc3n2)nn1	190263211	UZBIWJIZSBCUTC-UHFFFAOYSA-N	311.349	1.733	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1ccc(Cl)c(Cl)c1	194900450	PWDUQKJXKZZXIF-UHFFFAOYSA-N	318.160	1.680	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@H]1CCCc2sccc21	136890599	ABCRDWXUKZHNCL-NSHDSACASA-N	303.387	1.968	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccnc(N(C)C)c2)c(O)c1	80388335	ZIIGVKUDOWGGIL-UHFFFAOYSA-N	314.345	1.236	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)CCc2ccccc2)C[C@@H](C)O1	245577777	ICWVIWYUSWZALF-AGGWBTHJSA-N	319.405	1.906	50	20	DDGD	
O=C(NCc1ccc(N2CCCC2)cc1)NNC(=O)C1CCC1	264771974	WFMJXCJZTQHYRW-UHFFFAOYSA-N	316.405	1.917	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	269487837	NKGBZZGGCLRFJU-GFCCVEGCSA-N	323.418	1.531	50	20	DDGD	
CC(=O)N1c2ccccc2C[C@H]1C(=O)NNc1cccc(F)n1	367356021	IZMUAHCIGVVONE-ZDUSSCGKSA-N	314.320	1.642	50	20	DDGD	
CS(=O)(=O)C1(CNC(=O)NNc2c(F)cccc2F)CC1	279609930	FMLUQRDRSBZJBL-UHFFFAOYSA-N	319.333	1.168	50	20	DDGD	
Cn1c(=O)oc2c(C(=O)NNC(=O)NC3CCCC3)cccc21	270275611	XCQZNALVBRDGTI-UHFFFAOYSA-N	318.333	1.018	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCCC(=O)OC(C)C	274159536	GDIRTQIURLCFHD-UHFFFAOYSA-N	321.377	1.671	50	20	DDGD	
NC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)NNC(=O)C1CC1	273003989	NMAJJMDYMAYZKG-LLVKDONJSA-N	315.295	1.133	50	20	DDGD	
COCCOc1cc(C(=O)NNc2cc(C)nc(C)n2)ccn1	272227520	LMQQLRHUJFLCOS-UHFFFAOYSA-N	317.349	1.271	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CCCN2C(C)=O)cc1Cl	272934633	OJKGNDOSUJXJAI-GFCCVEGCSA-N	311.769	1.803	50	20	DDGD	
O=S(=O)(CBr)N[C@H](CCCO)c1ccccc1	272866474	YMXLXUHUHUMTOA-LLVKDONJSA-N	322.224	1.772	50	20	DDGD	
COC1(CC(=O)NNC(=O)CSc2ccccc2O)CCC1	276654749	DLGYSELEHHQWMO-UHFFFAOYSA-N	324.402	1.591	50	20	DDGD	
CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)NNc1ncccn1	276903290	JAGCGCKMLHCPIP-AAEUAGOBSA-N	316.365	1.475	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)C2CC2)cc1C(=O)NC(C)C	274161353	UYEHRVGDQOWOHM-UHFFFAOYSA-N	318.377	1.696	50	20	DDGD	
Cc1ccccc1-c1cc(NC(=O)NNC(=O)C2CC2)n(C)n1	274080341	GXRDDCHHXYONFT-UHFFFAOYSA-N	313.361	1.958	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1ccc(C#N)c(Cl)c1	274355086	LSJZLAGFBHICQY-UHFFFAOYSA-N	316.770	1.066	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1ccc(Cl)cc1F	274330643	FRQJYTGSHATKOU-UHFFFAOYSA-N	309.750	1.334	50	20	DDGD	
Cc1c(C(F)(F)F)nn(C)c1NC(=O)NNC(=O)C1CCC1	287422333	DUKFWKXGEHUIPJ-UHFFFAOYSA-N	319.287	1.700	50	20	DDGD	
CC1(C)CC[C@@H]1NC(=O)NNC(=O)COc1ccccc1O	287199055	FTDQODIZJLWKKS-LBPRGKRZSA-N	307.350	1.290	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)C(C)(C)c1ccccc1	281792951	FBAWYPXWQNCTJF-OUCADQQQSA-N	304.390	1.925	50	20	DDGD	
C[C@H]1CC(=O)CC[C@@H]1C(=O)NNC(=O)COc1ccc(F)cc1	281369905	WQAZHLNZGFUUKM-HZMBPMFUSA-N	322.336	1.357	50	20	DDGD	
O=C1COc2ncc(C(=O)NNc3cccc(F)c3)cc2N1	373168579	ZRDKHAZPZUIQHI-UHFFFAOYSA-N	302.265	1.309	50	20	DDGD	
CC(C)[C@H](NC(=O)c1ccco1)C(=O)NCC(Cl)Cl	288196973	KJRBNKUWHCAAKE-JTQLQIEISA-N	307.177	1.954	50	20	DDGD	
COC[C@H]1CCCCN(CC(=O)NNC(=O)c2ccccc2)C1	375105496	MUDOIHSQMRCDHH-AWEZNQCLSA-N	319.405	1.196	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)NNc1cc(F)c(F)c(F)c1	285711648	INFBHMRHVSSLHP-LBPRGKRZSA-N	315.295	1.948	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)C(F)(F)C2(O)CCCC2)cc1	284100213	XZECJCHCWSZATE-UHFFFAOYSA-N	323.299	1.260	50	20	DDGD	
CC[C@@H](CSC)NC(=O)NNc1ccc(-n2ccnc2)nn1	286945333	PQMHRJZOXBGGNR-JTQLQIEISA-N	321.410	1.430	50	20	DDGD	
O=C(NC[C@@H]1CCCN1C1CCCCC1)NNc1ncccn1	280833522	UNRPRPQPPMMIAS-AWEZNQCLSA-N	318.425	1.900	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)NCC(F)(F)F)c1ccccc1	281259646	OXOCBWKOPDRRHG-JTQLQIEISA-N	319.283	1.657	50	20	DDGD	
C[C@H](CCc1cccn1C)NC(=O)NNC(=O)[C@H]1CCCCO1	296589616	UMGWUWGSIUKFBP-TZMCWYRMSA-N	322.409	1.246	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1cc(-c2ccccc2)on1	292822410	STLOHIYIZCSVEL-NSHDSACASA-N	316.317	1.673	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@@](C)(OC)C1CC1	292739760	VAOWUHDJPVQPDL-INIZCTEOSA-N	321.377	1.070	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNC(=O)c2cccc(C#N)c2)cn1	806790333	GZUFXTIKEAJRFG-UHFFFAOYSA-N	323.356	1.721	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H](C)OCc2ccc(F)cc2)O1	295216493	AQJOAZLNNTVCAH-MJVIPROJSA-N	324.352	1.446	50	20	DDGD	
Cc1nc(C2CC2)nc(S)c1C(=O)NNC(=O)CC1CC1	294118223	KIOYSOOZRDHDGA-UHFFFAOYSA-N	306.391	1.512	50	20	DDGD	
Cc1cc(NNC(=O)c2cc3ccccc3c(=O)o2)nc(C)n1	806889689	FMPMGSTVKRLDTJ-UHFFFAOYSA-N	310.313	1.957	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)[C@H]1CCc2nnn(C)c2C1	291305563	OCCJERZDBNSBJF-JTQLQIEISA-N	303.341	1.511	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)CC2CCCC2)s1	299537486	GIPJFUFLZITGFJ-UHFFFAOYSA-N	310.375	1.876	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc(-n2ccnc2)cc1	295611853	QSVIUWVUFFAFSE-CQSZACIVSA-N	314.345	1.202	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccn1C)c1ccc2c(c1)OCO2	292207313	LLILUALZQPSAKY-JTQLQIEISA-N	315.329	1.319	50	20	DDGD	
Cc1ccc2sc(C(=O)NNC(=O)C(=O)NC(C)C)cc2c1	290636516	YIONYDBMHPYLPC-UHFFFAOYSA-N	319.386	1.495	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O	298161673	TYTXGQKZMQSHCJ-UHFFFAOYSA-N	316.361	1.775	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNc1cc(C#N)cc(Cl)n1	807183185	NGHWOACBIVPBKH-UHFFFAOYSA-N	303.709	1.271	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCC2)NNC(=O)N=c1cc[nH]cc1	802025509	ACNCCFJUBYVCGG-UHFFFAOYSA-N	310.357	1.388	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1	808248547	MWLAYFDDRVETRI-SECBINFHSA-N	319.188	1.890	50	20	DDGD	
Cn1nnc2c1C[C@@H](C(=O)NNc1cccc(Cl)n1)CC2	293785712	WKFWWEFQTWSKHG-QMMMGPOBSA-N	306.757	1.112	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1	297179241	ULHHYFMIAVELOJ-AWEZNQCLSA-N	320.393	1.292	50	20	DDGD	
Cn1nccc1C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	299347386	LSDVDLZFWUJLRY-UHFFFAOYSA-N	316.405	1.788	50	20	DDGD	
C[S@@](=O)c1ccc(C(=O)NNC(=O)Nc2ccccc2)cc1	801987634	QXROTFUCBUZHCV-JOCHJYFZSA-N	317.370	1.891	50	20	DDGD	
COc1ncccc1CCNC(=O)NNC(=O)OC(C)(C)C	291344936	VQKYXNKTNKISDX-UHFFFAOYSA-N	310.354	1.372	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccccc1	801619202	FVCWTSCSCGWMDX-JTQLQIEISA-N	317.305	1.273	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=Cc1ccc(N)nc1	807955395	VYBRBCHMEIIVOU-JTQLQIEISA-N	302.309	1.721	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)CCc2ccccc2O)O1	800330421	UPYRQXWIUNCXBL-UEKVPHQBSA-N	306.362	1.286	50	20	DDGD	
CC(C)NC(=O)Nc1cccc(C(=O)NNc2nc[nH]n2)c1	816633047	LFHIZBGPVAFZLI-UHFFFAOYSA-N	303.326	1.092	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NOC/C=C/Cl	811979134	GNMMEHAJRFDZDD-QPJJXVBHSA-N	313.741	1.252	50	20	DDGD	
O=C(C[C@@H]1COC(=O)C1)NNc1cc(Cl)nc(Cl)c1	819747069	JYDRTNIVYAFQJW-LURJTMIESA-N	304.133	1.785	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H](C)C2(OC)CCOCC2)n1	817178161	PINHVHOZZHHMSR-LLVKDONJSA-N	324.381	1.300	50	20	DDGD	
C=C(C)C(C)(C)C(=O)NNC(=O)COc1ccccc1OC	819004495	PUDWXYMAGTWRDV-UHFFFAOYSA-N	306.362	1.824	50	20	DDGD	
N#Cc1ccc(N2CCC[C@H]2C(=O)NNC(=O)c2ccc[nH]2)cc1	728170966	WMNUHFVOAKCYOZ-HNNXBMFYSA-N	323.356	1.316	50	20	DDGD	
C=CCc1ccc(OCC(=O)NN(C)[C@@H](C)CO)c(OC)c1	823986864	AVABGNWRQZZMBQ-LBPRGKRZSA-N	308.378	1.146	50	20	DDGD	
C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)/C(C#N)=C/c1cnn(C)c1	491088165	YTELTYGPAYGRMS-BIRNAEHNSA-N	313.405	1.412	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)CSC1CC1	822234320	OLODHGQZJKHNQL-UHFFFAOYSA-N	304.375	1.299	50	20	DDGD	
Cc1nn(-c2ccccc2)c(C)c1C(=O)NN(C)C[C@H](C)O	821216964	BJVFWUMRBVMFKO-NSHDSACASA-N	302.378	1.447	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)Cc1cccc(OCC(F)(F)F)c1	823946502	KVVGYPWJUUMKEK-JTQLQIEISA-N	320.311	1.514	50	20	DDGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC=C(N)N2)c(C)n1CC(C)C	829814741	SEOCBJBDDRKXDM-OVCLIPMQSA-N	313.405	1.815	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=C1CCC(O)CC1	496872331	DLRCCILTCSIGBN-ZGTCLIOFSA-N	323.393	1.310	50	20	DDGD	
CCN(CCO)NC(=O)c1ccccc1N(C)C(=O)C1CC1	823846551	KVDFAFYCZTUKCB-UHFFFAOYSA-N	305.378	1.018	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H](Oc1ccccc1)C(C)(C)O	823756002	QIMRKLBAUSUOAD-CYBMUJFWSA-N	323.393	1.335	50	20	DDGD	
C[C@@]1(C(=O)NNc2cc(C(F)(F)F)ccc2F)CCNC1=O	821292131	ZZCWFBOSKSOWSU-GFCCVEGCSA-N	319.258	1.814	50	20	DDGD	
C[C@@H](NC(=O)c1cccc(B(O)O)c1)[C@H]1CCCc2ccccc21	584981020	RDWXSFQTZXPRNB-CXAGYDPISA-N	323.201	1.605	50	20	DDGD	
O=C(CCN1CCCCCC1)NN=Cc1cc(C(=O)O)co1	901154063	NTSYBBYPQBIXOC-UHFFFAOYSA-N	307.350	1.694	50	20	DDGD	
C[C@@H]1CN(Cc2ccccn2)CCC1=NNC(=O)c1ncon1	901289837	MQTFZKIXWAYYGY-LLVKDONJSA-N	314.349	1.092	50	20	DDGD	
Cc1ccc(C[C@@H](C)NC(=O)c2cc(B(O)O)ccc2F)s1	584949481	MFXNCIGHLCHULM-SECBINFHSA-N	321.182	1.236	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)C1=COCCO1	733003220	ASVCZIHJQJIZGG-UHFFFAOYSA-N	311.725	1.059	50	20	DDGD	
COc1csc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1	826221398	CVIQCUWSVNNTQE-UHFFFAOYSA-N	316.346	1.694	50	20	DDGD	
COc1cccc(CCNC(=O)[C@]2(C)C[C@H]2Br)n1	906942964	WPIHVLSKLZWOIA-ZWNOBZJWSA-N	313.195	1.922	50	20	DDGD	
Cc1ccc([C@]2(C)CCN(C(=O)c3cccc(B(O)O)c3)C2)cc1	584983893	RBEWAVJKMFTLJU-LJQANCHMSA-N	323.201	1.479	50	20	DDGD	
C[C@]1(C(=O)NC[C@@H]2CCCCS2(=O)=O)C[C@@H]1Br	907320862	MOJKIOJMGCBFPT-QXEWZRGKSA-N	324.240	1.243	50	20	DDGD	
COc1cccc(COCC(=O)NNc2cc(C)nc(C)n2)c1	736719484	VZKJZSPISYFDEY-UHFFFAOYSA-N	316.361	1.762	50	20	DDGD	
CN1C[C@H](N(C)C(=O)/C(C#N)=C/c2ccc(F)cc2)CCC1=O	491008089	HJJDVGOFVUJODT-BMQCOBNYSA-N	315.348	1.812	50	20	DDGD	
CCS(=O)(=O)CC(C)=NNC(=O)c1cc(Cl)ccc1O	733745062	ZBLVXDHTTQYOLP-UHFFFAOYSA-N	318.782	1.586	50	20	DDGD	
COc1ccc(N2CCCN(S(=O)(=O)CCl)CC2)cc1	830125572	YEYXJIXGRLSJDC-UHFFFAOYSA-N	318.826	1.733	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNC(=O)COc1cccc(C)c1	838777436	YWLONYPEAFEYKS-KGLIPLIRSA-N	321.377	1.272	50	20	DDGD	
C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CC[C@@H](B(O)O)C1	585073130	APMPZYWLFQAJLU-GXTWGEPZSA-N	319.210	1.827	50	20	DDGD	
CCCN1CCC[C@H](C(=O)NNC(=O)Nc2ccccc2)C1	908049767	LIEIUKSKQCUQPQ-ZDUSSCGKSA-N	304.394	1.961	50	20	DDGD	
CNC(=O)NNC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1	732062367	SYFXQZAPBWLTJI-UHFFFAOYSA-N	316.148	1.144	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1C[C@H]2CC[C@H]1c1ccccc12	584987371	NGAJJCYJGAMJQT-DYVFJYSZSA-N	307.158	1.441	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CCN(C2CC2)C1	734285338	KKOAPMMVFRNFGK-GFCCVEGCSA-N	302.378	1.176	50	20	DDGD	
Cc1ccc([C@@H](CNC(=O)NNC(=O)C2CCC2)N(C)C)cc1	732245736	FQBJVTXOQXTMIL-OAHLLOKOSA-N	318.421	1.728	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCCO1)c1cccc(-n2cnnn2)c1	834987691	AFNPCXDEDBZTLF-AWEZNQCLSA-N	314.349	1.072	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@H](C)CCCc1cccnc1	839143325	OXXCTOSFBOSKHQ-CYBMUJFWSA-N	306.410	1.186	50	20	DDGD	
CC[C@H](C)[C@H](C(=O)NNC(=O)c1ncon1)c1ccccc1	832825745	GGAUVFVSMLNTCE-JQWIXIFHSA-N	302.334	1.661	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cnc3ccc(Cl)cn23)n[nH]1	737428852	IAPCJWKMSOYURZ-UHFFFAOYSA-N	316.752	1.712	50	20	DDGD	
COCCCNC(=O)NNC(=O)C[C@H](C)C(=O)c1ccccc1	732756767	PSSRDQHRJLTINO-LBPRGKRZSA-N	321.377	1.262	50	20	DDGD	
CN(C)C(=O)NN=C1CCS(=O)(=O)c2cc(F)c(F)cc21	731926474	FIQULLZSMUKGQV-UHFFFAOYSA-N	317.317	1.118	50	20	DDGD	
CC(C)[C@@H](NCc1cccc(B(O)O)c1)c1nc2ccccc2[nH]1	585032365	FZZBKOGMQRVTDM-QGZVFWFLSA-N	323.205	1.730	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CSc2nncn2C(C)C)n1	913001460	UOZDVHZYCWOWPB-UHFFFAOYSA-N	321.410	1.501	50	20	DDGD	
COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NN(C)C[C@@H](C)O)c1	910154159	WPKRDOOFRFGWNA-OSMZGAPFSA-N	308.378	1.151	50	20	DDGD	
N#C/C(=C\c1cnc2ccc(-c3nn[nH]n3)cn12)C(=O)C1CCC1	737673038	VIYRSCKMHFXDLN-WUXMJOGZSA-N	319.328	1.791	50	20	DDGD	
CCCCn1ncc(NC(=O)NNC(=O)[C@H]2CCCCO2)c1C	836472773	HPGMCHGKNHYSCY-CYBMUJFWSA-N	323.397	1.713	50	20	DDGD	
CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)NN(C)C[C@@H](C)O	910165291	JNNUBVCATAVRTE-ABAIWWIYSA-N	317.430	1.414	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NN=C1CCn2ccnc21	834929090	WSDWLBVABAJECH-SNVBAGLBSA-N	302.309	1.714	50	20	DDGD	
O=C(CCn1ccnn1)NNc1cc(C(F)(F)F)ccn1	832968077	HLSRZIIUXIBMQU-UHFFFAOYSA-N	300.244	1.225	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(Oc2ccc(F)cc2)nc1	910138698	KRESUYFLKFMLGU-LLVKDONJSA-N	319.336	1.970	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)COc1ccc(C#N)cc1)c1ccco1	741661465	XTJHXUAPRQIUDQ-LLVKDONJSA-N	313.313	1.481	50	20	DDGD	
Cc1ccc([C@@H](O)CNC(=O)NNC(=O)c2ccccc2C)o1	741270056	OJJRJDYRCGODCD-ZDUSSCGKSA-N	317.345	1.574	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)c1ccc(Cl)cc1O	749763978	JROSOQLPXNSGHK-SSDOTTSWSA-N	301.799	1.953	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNc2ncc(Br)cn2)O1	848321116	JBDDRXHFMBAQPY-RKDXNWHRSA-N	315.171	1.640	50	20	DDGD	
COc1ccc(C(=O)NN=C2CCN(C)[C@@H](C)C2)cc1OC	741454252	YHWQXVPJVPKOBN-NSHDSACASA-N	305.378	1.904	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1ccc(O)c(Cl)c1)[C@H]1CCOC1	841624481	FJPZKAGASOULJO-GWCFXTLKSA-N	312.753	1.813	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C1CCC1)[C@@H]1C[C@H](C(=O)O)C1(C)C	848595423	GZSCDEDEHNYTIX-INTQDDNPSA-N	311.382	1.252	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H](CC(C)C)OC)n1	842234843	HVZNDJXGIQKIAY-GFCCVEGCSA-N	309.414	1.827	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@H]2CCOC2=O)cc1	916595405	HFTZGLZPWURXLZ-UQTJOTSZSA-N	301.298	1.851	50	20	DDGD	
Cc1cccc(C2(C(=O)NNC(=O)c3ncccn3)CCC2)c1	841354695	REUBAPIYVNOSCC-UHFFFAOYSA-N	310.357	1.668	50	20	DDGD	
CC(C)NC(=O)CCNC(=O)NNc1ccc(F)c(F)c1	914003351	IEXBQZJQLKPXHZ-UHFFFAOYSA-N	300.309	1.506	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cc1cn(C)c2ccccc12	843648517	QLSQCIFTJITNRP-WCQYABFASA-N	315.373	1.293	50	20	DDGD	
CC/C=C/CNC(=O)NNc1ncc(Br)cn1	847378003	BUIMELQSIPEGCY-ONEGZZNKSA-N	300.160	1.831	50	20	DDGD	
Cc1ncc(CO)c(C=NNC(=O)c2ccc(Cl)nc2)c1O	915973904	UGGRCVLZJOSIMS-UHFFFAOYSA-N	320.736	1.400	50	20	DDGD	
Cc1nnc(-c2ccc(C(=O)NNC(=O)c3ccccn3)cc2)o1	746091616	FXHCGPIUFQUYDD-UHFFFAOYSA-N	323.312	1.515	50	20	DDGD	
CCc1ccc2c(c1)C(=NNC(=O)[C@H]1CCO[C@H]1C)C(=O)N2	842560600	YBZJNMCRGAFYSH-ONGXEEELSA-N	301.346	1.446	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1CCN(c2ccccn2)CC1	915951499	CZDNJKDDBOUEMY-UHFFFAOYSA-N	317.437	1.886	50	20	DDGD	
O=C1C[C@@H](CNC(=O)NNc2cc(Cl)cc(Cl)c2)CN1	840395019	HBTUDXNZQKTTGL-SSDOTTSWSA-N	317.176	1.756	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=Cc1cccnc1	916370722	FABPYYGFMSLBMP-BFHYXJOUSA-N	304.394	1.277	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@H]2CCC[C@H](N)C2)cc1F	841981057	PMICAEOESMISKM-UWVGGRQHSA-N	324.356	1.508	50	20	DDGD	
Cc1nc(C=NNC(=O)c2cc([N+](=O)[O-])ccc2O)cs1	741773463	CMCNGRBHJJLSIE-UHFFFAOYSA-N	306.303	1.829	50	20	DDGD	
CC[C@H]1CO[C@H](CC)CN1C(=O)/C(C#N)=C\c1cnn(C)c1	846376158	SATAQRMSYMBPNI-TUJBUDNFSA-N	302.378	1.743	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2C[C@@H]3[C@H](C2)C3(F)F)cc(C#N)n1C	846600769	OCCSFQRDVVEGNB-LNEGKRQQSA-N	316.311	1.836	50	20	DDGD	
CC(C)(C)OC(=O)c1ccc(C(=O)NNc2ncccn2)nc1	843760804	ATXFBUMYUXJZNV-UHFFFAOYSA-N	315.333	1.584	50	20	DDGD	
Cc1ccncc1C(=O)NNC(=O)COc1ccc(F)cc1	742036339	IZPQREYAFUUFCV-UHFFFAOYSA-N	303.293	1.369	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CCN[C@@H](C)C2)c1	841988327	SECGRMMZPCNPMZ-JQWIXIFHSA-N	306.366	1.240	50	20	DDGD	
CCNCCNC(=O)NNC(=O)c1ccc(Cl)cc1Cl	841934664	FTANVXZYIXSLEG-UHFFFAOYSA-N	319.192	1.547	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cccc3c2CCNC3)o1	841306333	VZURBPTXPYYNQK-UHFFFAOYSA-N	314.345	1.700	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@]2(C)CCOC2)o1	755150398	LMUTVUVVGMKLRA-MRXNPFEDSA-N	323.393	1.309	50	20	DDGD	
O=C(NNc1ccncn1)c1cccnc1OCC(F)(F)F	857520151	ODVQPWQFTDCKDT-UHFFFAOYSA-N	313.239	1.570	50	20	DDGD	
CNC[C@H](C)NC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	851681073	MQHPBFLOLLYKSP-WCQYABFASA-N	322.409	1.009	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@H]2C[C@H]2C2CC2)cc1OC	751299740	LZTOUNNCGBTSPN-QWHCGFSZSA-N	318.373	1.901	50	20	DDGD	
C[C@H]1COC[C@@H]1NC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	926002717	GXYALRCLKIVKGK-GWCFXTLKSA-N	321.381	1.123	50	20	DDGD	
CC[C@H](C)Oc1ccc(C(=O)NNC(=O)c2cc[nH]n2)cc1	855357694	PIIWBOHZJKCGCT-JTQLQIEISA-N	302.334	1.662	50	20	DDGD	
O=C(CSc1ccccc1O)NN=C1CCCn2nccc21	853350936	QMWYCOBDBPPRFD-UHFFFAOYSA-N	316.386	1.995	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N(C)Cc2nccs2)c1	858706137	MPBABQVQDUBVIZ-UHFFFAOYSA-N	310.404	1.999	50	20	DDGD	
O=C(NN=Cc1ccccc1Cl)N[C@@H]1CCS(=O)(=O)C1	920381766	UAWCBVWGDYTCEV-SNVBAGLBSA-N	315.782	1.160	50	20	DDGD	
CC(=O)Nc1cccc(NC(=S)NNC(=O)NC2CC2)c1	920759005	AYMVJWYSHJHRNY-UHFFFAOYSA-N	307.379	1.308	50	20	DDGD	
O=Cc1cccc(OCCC(=O)NNC(=O)CC(F)(F)F)c1	855002134	OVLNVAROVYOBMC-UHFFFAOYSA-N	318.251	1.368	50	20	DDGD	
Cc1ccc(NNC(=O)NCCN2CCCOCC2)cc1F	854092609	UUQROOGSFWCWDY-UHFFFAOYSA-N	310.373	1.483	50	20	DDGD	
O=C(CSc1nncs1)NNc1cccnc1Cl	754487981	LKEXCBFJXUJMON-UHFFFAOYSA-N	301.784	1.822	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2CCN(C(C)C)C2=O)cc1F	853740380	WICQIPZKELDHHC-ZDUSSCGKSA-N	308.357	1.770	50	20	DDGD	
CCOC1CCC(=NNC(=O)[C@@H](C)CN2CCOCC2)CC1	853279111	MXWBBZMXETUVBP-CFMCSPIPSA-N	311.426	1.406	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)Cc2ccon2)C[C@H]1Br	856755523	VQRJSVPIOCTDHI-BDAKNGLRSA-N	309.185	1.268	50	20	DDGD	
Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NNC(=O)CN(C)C	754208423	WNVZVDLRERXZFH-CHWSQXEVSA-N	303.406	1.685	50	20	DDGD	
O=C(NNC(=O)c1ccn(CC(F)F)n1)OCC(F)(F)F	856020427	HDEYWTHCZGDWQO-UHFFFAOYSA-N	316.186	1.082	50	20	DDGD	
CCOC(=O)[C@@H](CC(=O)NNc1cccc(Cl)n1)C(C)=O	854603514	JKLYIMZAYVERTH-VIFPVBQESA-N	313.741	1.337	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)C2[C@H]3CCCCCC[C@H]23)CC1	854381041	DHXMDKLBNKEOFP-STQMWFEESA-N	308.426	1.191	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@]1(C)COc2ccccc2O1	863867316	VRBYQZLYNFLMOL-INIZCTEOSA-N	306.362	1.800	50	20	DDGD	
Cc1ccc(-n2cc(C)cn2)c(NCc2ccc(B(O)O)cc2)c1	864030275	IOAWVTLKYQGYLM-UHFFFAOYSA-N	321.189	1.781	50	20	DDGD	
COC[C@@H](C)n1ccc(NC(=O)NN=c2cc[nH]c(C)c2)n1	860981393	IWTIMLUBKUODEF-LLVKDONJSA-N	304.354	1.364	50	20	DDGD	
C[C@@H](NNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)C(F)(F)F	862307526	MNXFJSKQUQRBEX-SCZZXKLOSA-N	307.316	1.207	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1	765918295	JAPLNUHGJKQYSL-RKDXNWHRSA-N	309.288	1.227	50	20	DDGD	
O=C(CCCn1ccccc1=O)NNc1nc2ccccc2[nH]1	768494526	CVYAQJXWVZHRSH-UHFFFAOYSA-N	311.345	1.648	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NC[C@H](O)C1CCOCC1	768282034	USIAGJOUABFJEO-QWRGUYRKSA-N	322.243	1.700	50	20	DDGD	
O=C(Nc1nc(C2CCC2)cs1)c1ccc(B(O)O)cc1	863882359	YNXJXAYCAIVRPW-UHFFFAOYSA-N	302.164	1.343	50	20	DDGD	
Cc1nnc(NNC(=O)c2ccc(-c3ccco3)s2)nc1O	767849586	CDPNBHPKVRZAKD-UHFFFAOYSA-N	317.330	1.964	50	20	DDGD	
CCn1cnnc1CCNC(=O)[C@@H](Br)C(C)(C)C	767992656	JPSMNXQCHUMWMZ-SNVBAGLBSA-N	317.231	1.766	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCC(=O)N1)c1ccc(C(F)(F)F)cc1	863144869	GLIPZMZQFVJXDH-LLVKDONJSA-N	313.279	1.824	50	20	DDGD	
C[C@@H](C(=O)NNc1ncc(F)cn1)n1cnc2ccccc21	760914401	BNJMKIXSVMLUBG-VIFPVBQESA-N	300.297	1.670	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNC(=O)COc1ccccc1CC	863852030	YBIHOIKFVLGOAC-OAHLLOKOSA-N	322.405	1.980	50	20	DDGD	
CCc1nn(C)c(Cl)c1C(=O)NNC(=O)c1ccccn1	767187024	VDYBSOIOOZMRSB-UHFFFAOYSA-N	307.741	1.106	50	20	DDGD	
CC(C)Cn1ncc(C(=O)NNC(=O)NCC2CC2)c1C1CC1	768943642	VLWMHCGVQRAIIO-UHFFFAOYSA-N	319.409	1.771	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ncc(Br)s1	765252968	QUAWEHYNQKCCLM-UHFFFAOYSA-N	319.184	1.260	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@](C)(O)CCC)c1	874950860	XDNAYVBGGHMQEG-OAHLLOKOSA-N	305.403	1.537	50	20	DDGD	
Cc1ccn(-c2ccc(C(=O)NNc3ncc(F)cn3)cc2)n1	760904987	GGWITAOTDDFNFX-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
COc1ccc(C(=O)NNc2ncnc3ccsc23)cn1	766678506	KBKJOVXIVLKQFE-UHFFFAOYSA-N	301.331	1.852	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)cc[nH]1	875293844	OCIIDCUUPOOHQH-OLZOCXBDSA-N	319.409	1.085	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@H]1C=NNC(=O)c1ccccn1	872324393	QKEZJYKQFKQKJK-GXTWGEPZSA-N	313.361	1.791	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H](C)C(=O)N(C)OC)cc1	875895086	ZRYAEYDMKPVNJG-JTQLQIEISA-N	310.354	1.120	50	20	DDGD	
O=C(NN=C1CCN(CCO)CC1)c1nc2ccccc2s1	872437874	ROOZCSMOAROQNO-UHFFFAOYSA-N	318.402	1.470	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2cnn3ccncc23)c1	1116883142	LKLWKKZVLYEVAK-UHFFFAOYSA-N	301.281	1.634	50	20	DDGD	
C[C@@H]1CCC[C@H](OCC(=O)NNC(=S)Nc2ccccn2)C1	874956616	JOLKRYWPLXDOJO-NEPJUHHUSA-N	322.434	1.995	50	20	DDGD	
COc1cc(F)cc(CNC(=O)NNC(=O)C2CCCC2)c1	770306345	OJZCBVMITVWSOQ-UHFFFAOYSA-N	309.341	1.855	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NC/C=C/C1CC1	1117864837	ZHJNFJYGZGAZJG-KXMPLOMGSA-N	321.352	1.890	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)CCn2cc(Cl)cn2)n1	773860222	DDVXNBNKQJABNH-UHFFFAOYSA-N	316.152	1.096	50	20	DDGD	
CCNC(=O)NNC(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1	776971515	YGUJWQCHGGZRFD-SECBINFHSA-N	311.769	1.899	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CC[C@@H](C)C2)cc1	776421042	BZKRSYUYAHLGLF-OCCSQVGLSA-N	318.373	1.735	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)[C@H](F)Cc1ccccc1	777995264	VRWCVEBKDJNCJJ-GFCCVEGCSA-N	318.377	1.980	50	20	DDGD	
CCn1cc(-c2n[nH]cc2C(=O)NNC(=O)C(C)(C)C)cn1	778501631	PUUVZMMSXQSNBW-UHFFFAOYSA-N	304.354	1.100	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cnc(N(C)C)cn1	779662340	SKSANYRTVRFRMZ-UHFFFAOYSA-N	318.289	1.679	50	20	DDGD	
N#Cc1cccc(NNC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)c1	771441020	BJNMMTSXUJSULV-ZBFHGGJFSA-N	316.361	1.522	50	20	DDGD	
CCSCC[C@H](C)NC(=O)NNC(=O)C1CCOCC1	883483594	NBBSQZWIRFNNCA-JTQLQIEISA-N	303.428	1.275	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc2c(c1)CCCC(=O)N2	780710638	VYIIKEAOYMWYFG-UHFFFAOYSA-N	304.350	1.268	50	20	DDGD	
CCn1cc(NC(=O)NNc2ncncc2Cl)ccc1=O	780694303	YTNYEOLRMOYQCU-UHFFFAOYSA-N	308.729	1.460	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)n1	788001389	NEAOUCFZDLDREW-BDAKNGLRSA-N	311.773	1.173	50	20	DDGD	
CCCn1cc(C(=O)NNC(=S)N[C@@H](C)C2CC2)c(C)n1	1120668935	OHKOTNSWXCZWOW-VIFPVBQESA-N	309.439	1.509	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(C(C)C)nn2C)cc1O	882049434	UDDKYFVULRUNSY-UHFFFAOYSA-N	316.361	1.632	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1ccc2c(c1)NC(=O)C2	889708203	QOYKAOBJDCBZMU-UHFFFAOYSA-N	304.350	1.770	50	20	DDGD	
C[C@H](NCC(=O)NNC(=O)c1cccc(C#N)c1)c1ccccn1	782986542	CVNMLMRMRVNKSM-LBPRGKRZSA-N	323.356	1.065	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2cc(F)ccc2F)CCCC1	885145122	RIHBYGHFPQNLHR-UHFFFAOYSA-N	318.345	1.765	50	20	DDGD	
Cn1ncc(NC(=O)NNc2ccccn2)c1C(F)(F)F	782099399	KOJDSDLSTPOKEN-UHFFFAOYSA-N	300.244	1.983	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2nnc(-c3ccccn3)s2)c1O	788558016	GDUWTVJIAYDPDT-UHFFFAOYSA-N	317.334	1.094	50	20	DDGD	
Cn1nc([C@H]2CCCO2)cc1NC(=O)NN=c1cc[nH]cc1	788723157	CZAJQAHHQYFTMD-GFCCVEGCSA-N	302.338	1.237	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@]2(C)CCCOC2)cc1C	781143351	VDXQXOBGEKJQCP-KRWDZBQOSA-N	320.389	1.646	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](C)Oc2cccnc2)c1	780793235	UVDRYTCZTGPMTI-NSHDSACASA-N	315.329	1.779	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCO2)NNc1ncncc1Cl	781831242	BFLGSPSSFFISJT-UHFFFAOYSA-N	304.737	1.751	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])c(O)c2)n1	794074708	FFECEBWDSQXARP-UHFFFAOYSA-N	316.273	1.079	50	20	DDGD	
Cn1cnc(CNC(=O)NC[C@]2(C)C[C@@H]2Br)c1	895922276	IZALBAXXGYUATM-ONGXEEELSA-N	301.188	1.393	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)c1cn2c(n1)CCCC2	799294882	PWLORQQTGVTEJR-UHFFFAOYSA-N	302.309	1.433	50	20	DDGD	
Cn1ccc(CCC(=O)NNC(=O)c2ccc(Cl)cc2O)n1	794241359	FPOTXIBTRIEPAY-UHFFFAOYSA-N	322.752	1.173	50	20	DDGD	
CSSCCNC(=O)NCC1(N(C)C)CCOCC1	790732609	SFZIGSWZTHXWRA-UHFFFAOYSA-N	307.485	1.408	50	20	DDGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNC(=S)NC(C)(C)C)C1	798124570	ZRKWPUFNOWEICE-GHMZBOCLSA-N	301.456	1.876	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cc(C#N)oc2C)cc1	798106997	ZZXQHLPUJZFCIU-UHFFFAOYSA-N	312.329	1.641	50	20	DDGD	
Cc1ccc(C(=O)NNC(=S)Nc2ccccn2)cc1C#N	799422394	FIAUJERHOJAWPF-UHFFFAOYSA-N	311.370	1.893	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=Cc1cn(C)cn1	794472699	RHHNTVNJFXSWKJ-UHFFFAOYSA-N	302.334	1.348	50	20	DDGD	
CNc1nc(C)cc(C(=O)NNC(=O)c2c[nH]c3ccccc23)n1	798153706	AVRZKSYALLUBSV-UHFFFAOYSA-N	324.344	1.383	50	20	DDGD	
CCOC(=O)c1cccc(SCC(=O)NNC(=O)C2CC2)c1	794449594	YJRLSDGIXSIVJH-UHFFFAOYSA-N	322.386	1.513	50	20	DDGD	
C=C[C@H](NNC(=O)c1cccc(OC(F)F)c1)C(=O)OC	799978161	XZAPUHKPUCNPIY-JTQLQIEISA-N	300.261	1.250	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCN1Cc1cccnc1)C1CCC1	1318506250	DDHZHYOCHVNRNW-HNNXBMFYSA-N	316.405	1.384	50	20	DDGD	
O=C(CCc1cncs1)NNC(=O)c1ccc(Cl)nc1	1324178635	RPMSEJIUYYGJTR-UHFFFAOYSA-N	310.766	1.585	50	20	DDGD	
CCn1nc(C(C)C)cc1C(=O)NNC(=O)c1cccc(F)n1	1328444219	KXTQJANGBUBKOK-UHFFFAOYSA-N	319.340	1.635	50	20	DDGD	
O=C(CCO)NN=C1COc2cc(Br)c(F)cc21	1324207779	RBPMBXPPYYNDNZ-UHFFFAOYSA-N	317.114	1.183	50	20	DDGD	
C[C@H]1CCc2nc(C=NNC(=O)N3CCN(C)CC3)sc2C1	1324258873	SAHVKDVMUUJIEQ-NSHDSACASA-N	321.450	1.559	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCN2CC[C@H](C)C2)cc1	1336871601	DVUBPWDKDNKDHN-ZDUSSCGKSA-N	318.421	1.535	50	20	DDGD	
CC[C@H](C)n1nccc1C(=O)NNC(=O)c1ccc(OC)cc1	1337735730	YMJZHLDIBLVKLE-NSHDSACASA-N	316.361	1.938	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ncoc2[C@H]2CCCO2)n1	1339801771	BYMASQPLFHTLKB-SECBINFHSA-N	319.321	1.390	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCCOC(F)F)cc1	1256704973	CTGBYJITVNLYAR-UHFFFAOYSA-N	317.292	1.269	50	20	DDGD	
CCN(CC)CCOc1ccc(C(=O)NN(C)[C@H](C)CO)cc1	1348954255	INLSDRLRLZLYCF-CQSZACIVSA-N	323.437	1.365	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CSCc1cccs1	1346069845	VPGJDJXKCJYQBH-MWLCHTKSSA-N	314.432	1.554	50	20	DDGD	
O=C(C1CCC(Cl)CC1)N1CC[C@H](N2CC[C@H](O)C2)C1	1352199407	SVSTWTQSPPENLX-HOAMVYINSA-N	300.830	1.452	50	20	DDGD	
C[C@]1(COC(=O)C[C@H]2CCC(=O)NC2)C[C@H]1Br	1519553492	MESRZCBTCMEJPS-KBVBSXBZSA-N	304.184	1.619	50	20	DDGD	
N#CC1(C(=O)NNc2ccc(C(=O)O)c(F)c2)CCOCC1	1601050824	OSWJCRKNJMVPFF-UHFFFAOYSA-N	307.281	1.287	50	20	DDGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1C=NNC(=O)C(=O)O	1607994182	MOFZWISEEKHTBR-UHFFFAOYSA-N	304.281	1.163	50	20	DDGD	
O=C(O)[C@H](NS(=O)(=O)c1ccc(CCl)cc1)C1CC1	1601679626	UHYGBAOCAHRNJV-LLVKDONJSA-N	303.767	1.567	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C/c1ccccc1OCC(=O)O	1605345547	FGZMHPOYLGAADS-XYOKQWHBSA-N	309.343	1.839	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCCCCCC(=O)O	1603323154	SOXMRRBEZQHLDH-UHFFFAOYSA-N	301.387	1.788	50	20	DDGD	
Cn1c(C=NNC(=O)Cn2ccc3ccccc32)ccc1C(=O)O	1610597767	OBHURPWMRWUVJY-UHFFFAOYSA-N	324.340	1.828	50	20	DDGD	
CNNC(=O)c1cc(OC)ccc1OCC(F)(F)C(F)F	1578744673	KIOSFVZLJMHMMZ-UHFFFAOYSA-N	310.247	1.839	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H]2Cc3ccccc3CN2)n1	1579861469	UJWBDYVKMWTDJW-GFCCVEGCSA-N	317.780	1.596	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H](F)[C@@H]2CCNC2)cc1C	1579723113	ZDCDLWPGIRWVJQ-YPMHNXCESA-N	324.425	1.569	50	20	DDGD	
C[C@H](NNC(=O)c1cc(-c2nn[nH]n2)ccc1F)C(F)(F)F	1589976658	MICBJQWGTHVWPM-YFKPBYRVSA-N	318.234	1.191	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)c2ccncc2)C1	1842395633	PXINKEUCQAOYDF-LLVKDONJSA-N	311.744	1.433	50	20	DDGD	
CC(=O)C[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1846326650	ICSLYACOXYNXDA-KOLCDFICSA-N	318.776	1.339	50	20	DDGD	
N[C@@H](C(=O)NNC(=O)C1CCC1)c1cccc(C(F)(F)F)c1	1580114928	GBFAWLPMEPLAAA-LLVKDONJSA-N	315.295	1.653	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@H]1CCCSC1	1599376253	OBCCXDVTMPTMNQ-SNVBAGLBSA-N	310.375	1.980	50	20	DDGD	
Cc1cccc(NNC(=O)Nc2ccc(-c3nn[nH]n3)cn2)n1	1592235152	CMXGRXVTIMDLJL-UHFFFAOYSA-N	311.309	1.114	50	20	DDGD	
CCn1nccc1C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1597962895	RUDJWSBVVWMTLU-UHFFFAOYSA-N	305.246	1.729	50	20	DDGD	
CC1(C)OC[C@@H]2C[C@@]21C(=O)NNc1ccc(F)c(C(=O)O)c1	1593975284	AOKSBGKPCYTWGQ-AYVTZFPOSA-N	308.309	1.782	50	20	DDGD	
N#C/C(=C\c1cccc(-c2nn[nH]n2)n1)C(=O)NC1CCCC1	1592662743	VXSZPXOYUJRLKM-CSKARUKUSA-N	309.333	1.227	50	20	DDGD	
COC(=O)c1cccc([C@@H](C(=O)O)N2CC=C(C#N)CC2)c1	1598994717	DEGXEWQJVXOIFC-AWEZNQCLSA-N	300.314	1.755	50	20	DDGD	
Cc1[nH]nc2ncc(C(=O)NNc3ncccc3C(=O)O)cc12	1594251776	XSJHKYVXNMTNTP-UHFFFAOYSA-N	312.289	1.116	50	20	DDGD	
O=C(NN=Cc1cccn2c(C(=O)O)cnc12)c1ccccc1	1776014413	HBEMXOYGPXAIDF-UHFFFAOYSA-N	308.297	1.796	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1sc(Cl)cc1C(=O)O	1776082245	FDLKKVHPYQIHEV-BQBZGAKWSA-N	316.766	1.975	50	20	DDGD	
CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cl)COC)C2	1795537411	VHDBGBCSDVOPAL-RNJOBUHISA-N	316.829	1.679	50	20	DDGD	
C[C@@H](NC(=O)C(C)(C)C)C(=O)NNc1cnc2ccccc2n1	163603448	XSNOLYGHKHDQJD-SNVBAGLBSA-N	315.377	1.624	50	20	DDGD	
Cc1cc(C(=O)NNc2ccccc2)ccc1S(N)(=O)=O	151257323	LVXHCIOQRHUSAT-UHFFFAOYSA-N	305.359	1.399	50	20	DDGD	
CCCCOc1cccc(NC(=O)NNC(=O)CN(C)C)c1	157905434	VNNMXYGRTBWDJI-UHFFFAOYSA-N	308.382	1.580	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CNC(=O)c2ccoc2C)c1	156797800	LYYVFLABEDQEJQ-UHFFFAOYSA-N	321.308	1.609	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNC(=O)CCCc1ccccc1	57691784	FLLGOSDIRYBMOB-UHFFFAOYSA-N	314.389	1.821	50	20	DDGD	
COc1cccc(SCC(=O)NNC(=O)[C@@H]2CCCO2)c1	58876735	DUUBXDGJSCUDGR-LBPRGKRZSA-N	310.375	1.114	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCCCn2ccnc2C)n1	173417158	PSOWPVUPLLDSGT-UHFFFAOYSA-N	317.397	1.705	50	20	DDGD	
Cc1cc(NNC(=O)COc2ccccc2[N+](=O)[O-])ncn1	172281266	CAEDPAXKRMHFOC-UHFFFAOYSA-N	303.278	1.215	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)c1cnn(C)c1)c1ccc(F)cc1	117679291	JANHGQZDXBNKJN-YFHOEESVSA-N	302.309	1.424	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)c2cc(C)n[nH]2)o1	69298302	QONRHBAZHLDBQZ-UHFFFAOYSA-N	319.365	1.228	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)c2ccc(C#N)cc2)C[C@H](C)O1	111481884	VVTPGBWLFFSHRZ-FZMZJTMJSA-N	316.361	1.412	50	20	DDGD	
COc1ccnc(C(=O)NNC(=O)c2cccc3ncccc23)c1	116194473	DDSBZKSVZXSALX-UHFFFAOYSA-N	322.324	1.713	50	20	DDGD	
CCn1ccnc1C(=O)NNc1cncc(Br)c1	1343725956	OXBBWOWSYCODEO-UHFFFAOYSA-N	310.155	1.817	50	20	DDGD	
Cc1cccc(OCC(=O)NN[C@H](C(N)=O)c2ccccc2)c1	26223937	LUSGVMJPSAZHGS-INIZCTEOSA-N	313.357	1.221	50	20	DDGD	
CCn1c(C)cc(C(=O)NNc2nc(C)cc(OC)n2)c1C	174473515	QNBPXUNDVRHEET-UHFFFAOYSA-N	303.366	1.989	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(F)c(F)c(F)c2F)[nH]n1	179663540	CAPXJAXBQUZDEG-UHFFFAOYSA-N	316.214	1.349	50	20	DDGD	
CNC[C@H](C)CNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	1348555522	PKYIELBZMOTISO-LBPRGKRZSA-N	320.437	1.784	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1F)Nc1ccc(OC(F)F)cc1	1346962451	RFBCILNENGIVCW-RKDXNWHRSA-N	303.240	1.799	50	20	DDGD	
CN(C)c1ccccc1NC(=O)NNC(=O)c1ccccc1O	183548717	SGSWSZXVRQQAKU-UHFFFAOYSA-N	314.345	1.925	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(OC(F)F)c2)ncn1	129208936	OKRQPWGLZWILOW-UHFFFAOYSA-N	322.271	1.461	50	20	DDGD	
COc1ccc(NNC(=O)Nc2c(C)ccn(C)c2=O)nc1	122169318	GRWZJQPWOXXWGM-UHFFFAOYSA-N	303.322	1.246	50	20	DDGD	
COC[C@@H](C)OC(=O)/C(C#N)=C\c1cc(OC)c2c(c1)OCO2	211467479	KNEVLSXXIDAMOK-WOFOBEMUSA-N	319.313	1.909	50	20	DDGD	
CC[C@H](C)Oc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1	186127407	YITQVRRQRMPEPG-NSHDSACASA-N	316.361	1.591	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccc3c(c2)CCO3)o1	183665468	MHAXQONEQJKPDT-UHFFFAOYSA-N	301.302	1.989	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(F)cc1Br	39519279	CHNGJNSXSLTSFR-UHFFFAOYSA-N	305.103	1.979	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2[nH]c(C)cc2C)nc1C	182725403	CVCDVTNBEIEWKH-UHFFFAOYSA-N	317.349	1.664	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@H](C)c2nccs2)o1	184288809	ZGSDHMOPXUCYBK-QMMMGPOBSA-N	308.363	1.792	50	20	DDGD	
CN(C)C(=O)CCCNC(=O)NNc1c(F)cccc1Cl	185229852	ZGGRJPPKESNZQT-UHFFFAOYSA-N	316.764	1.974	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@@H](c1ccco1)N1CCCC1	79204361	AZZPGGHACYGMBZ-LBPRGKRZSA-N	322.409	1.793	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)C(C)(C)F)cc1OC	132413131	AOKMVYIAFLGAEG-UHFFFAOYSA-N	312.341	1.993	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CSc1ccccn1	136269247	WOVGFJDIMFHVDB-UHFFFAOYSA-N	315.398	1.872	50	20	DDGD	
COc1ccc(C(C)=O)cc1CC(=O)NNc1ncccn1	46577178	DJZOBALJRKXFKM-UHFFFAOYSA-N	300.318	1.374	50	20	DDGD	
CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NNC(=O)c1cnn(C)c1	80356127	PWYGELQLTXZNKE-UBHSHLNASA-N	322.409	1.555	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(OCC(C)C)c(OC)c1	139269766	DCKQYVIJCGBSSC-UHFFFAOYSA-N	309.366	1.694	50	20	DDGD	
COc1cccc(C2(C(=O)NNC(=O)C(C)(C)O)CCCC2)c1	190067584	FMRONMVEODNQEL-UHFFFAOYSA-N	320.389	1.425	50	20	DDGD	
COc1cc(C#N)ccc1OCCCC(=O)NNC(=O)C1CC1	46753162	HIAJLOUTWLAGTD-UHFFFAOYSA-N	317.345	1.283	50	20	DDGD	
O=C(C1CC1)N1CCCN(CCI)CC1	191199496	OXAWVJJDDPKUCU-UHFFFAOYSA-N	322.190	1.366	50	20	DDGD	
CN1CCO[C@H](C(=O)NNc2c(Cl)cccc2Cl)C1	133485449	IKYNPHQIJUXYAF-JTQLQIEISA-N	304.177	1.767	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC(c2ccccc2)=NO1)c1ccccc1	47932474	KWYYUCCJCWJERJ-HNNXBMFYSA-N	309.325	1.641	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2CC2)cc1OC(F)F	47908270	DBRHSGVBYGIPMZ-UHFFFAOYSA-N	300.261	1.468	50	20	DDGD	
CC(=O)N1CC(C(=O)NNc2ccc(Br)cc2)C1	191931118	QJJNKMFACBPESO-UHFFFAOYSA-N	312.167	1.371	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H]1CCCN1Cc1ccccc1	98093590	XNYDKPOFCFRECQ-CQSZACIVSA-N	303.406	1.845	50	20	DDGD	
C[C@@H](CNC(=O)NNc1cncc(Cl)n1)Cn1cccn1	97215261	IITZIDCVZDFYLC-VIFPVBQESA-N	309.761	1.289	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)c2ccc(Cl)cc21)C1CC1	254616632	SGVXWARYNQFHCA-UHFFFAOYSA-N	312.778	1.748	50	20	DDGD	
CCCCCCCCOCC(=O)NNc1ccc(C(N)=O)nn1	268187536	DHDKUFRIKLZGDA-UHFFFAOYSA-N	323.397	1.396	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cn1cnc2ccccc21)C(C)(C)C	265353347	ZOLGIQBOYCDMFL-LLVKDONJSA-N	302.378	1.866	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)N[C@H]1CCC[C@H]1CCO	275321210	DOPIJCFCKLJNQC-UWVGGRQHSA-N	321.406	1.869	50	20	DDGD	
CCC(=O)N[C@H](CCSC)C(=O)NNc1ccnc(F)c1	272781135	RLTRXVBUPPYHGK-SNVBAGLBSA-N	314.386	1.312	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@@H]1CCc2n[nH]cc2C1	367643230	MTLVTJZXYUSARQ-LLVKDONJSA-N	323.356	1.499	50	20	DDGD	
CC(C)CONC(=O)NNC(=O)CSc1ccccc1O	270626906	GVDZSRZUZKDAAK-UHFFFAOYSA-N	313.379	1.402	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1oc(-c2ccccc2)nc1C	272635682	CLHQEWFCAMZWKP-UHFFFAOYSA-N	302.334	1.956	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CSCc1c(C)noc1C	272695619	RQDLYIWFLBCMLC-UHFFFAOYSA-N	300.384	1.217	50	20	DDGD	
C#C[C@H](C)NC(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	278026737	AVTPRBVQWGXEJZ-UWVGGRQHSA-N	309.753	1.459	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc(Cl)c2)CCO1	271254755	JRGHEXOEIIMDQT-BXKDBHETSA-N	311.769	1.852	50	20	DDGD	
COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1C#N	282995826	LSLNQFCVFNMGOZ-KEQVLUGWSA-N	311.341	1.769	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CNC(=O)CCC(C)C	281206164	LGSCOEVRCKUNGC-UHFFFAOYSA-N	320.393	1.700	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C(C)(C)N1CCOCC1	288619059	JGPMTWYFEAZVEL-UHFFFAOYSA-N	322.365	1.457	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2CN3CCCN2CC3)cc1Cl	370575869	MZLIZTJBKNOCJH-AWEZNQCLSA-N	319.796	1.045	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNC(=O)COc1ccc(C#N)cc1	285026558	OSZMTKXJBFKXKX-OAHLLOKOSA-N	300.318	1.024	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C(=O)c2cccn2C)c1	807211654	FQGUUSFENKMKAG-UHFFFAOYSA-N	301.302	1.138	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cncnc2C)cc1	299105525	QFXFTRZKRKCXJV-UHFFFAOYSA-N	314.345	1.187	50	20	DDGD	
CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NNC(C)=O	294263271	QTMDSWSFBNCOBU-IAQYHMDHSA-N	317.389	1.153	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1cc(Cl)cc(C)c1O	807960553	WPKGNKXWTIDAGL-UHFFFAOYSA-N	309.753	1.473	50	20	DDGD	
C[C@@H](C[S@@](C)=O)NC(=O)NNc1cc(C(F)(F)F)ccn1	296667102	OKBXGENBQAHBBQ-MWAODPMSSA-N	324.328	1.494	50	20	DDGD	
CCCCS[C@H](C)C(=O)NNC(=O)Cn1nc(C)cc1C	299076674	VRBNBEHPFQFBBB-GFCCVEGCSA-N	312.439	1.569	50	20	DDGD	
O=C(CCc1ccc(F)cc1)NNC(=O)N=c1cc[nH]cc1	802023246	OWZDACVVZSQDAZ-UHFFFAOYSA-N	302.309	1.428	50	20	DDGD	
O=C(NNc1cccc(F)n1)C(=O)N1CCc2c(F)cccc21	807390960	BMNWSYOBRUKFII-UHFFFAOYSA-N	318.283	1.392	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H]1CCCC(F)(F)C1	800334887	SWIWSRYWDCZPKB-MRVPVSSYSA-N	311.423	1.670	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2sccc2OC(F)F)O1	293819292	FFTOABCKNYHYJA-XPUUQOCRSA-N	320.317	1.678	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C\c1ccc(OCC(=O)O)cc1	298602944	HFDXABOFBLNXIH-HKMIMPICSA-N	318.329	1.208	50	20	DDGD	
C[C@@H](CC(N)=O)C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	296920378	MZZZCMGWNRQWCN-LURJTMIESA-N	300.702	1.203	50	20	DDGD	
COCCN1C[C@@H](C(=O)OC[C@@H](C)CBr)CC1=O	800132039	MUFDJLJMXVDDSY-UWVGGRQHSA-N	322.199	1.056	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)[C@H]2CCCCO2)c2ccccc21	295309841	FSACYEMZWJXWSZ-OAHLLOKOSA-N	315.373	1.991	50	20	DDGD	
CSc1cc(C(=O)NNC(=O)[C@H]2CCCCO2)ccc1F	295682753	YGQQVHWVRSAVGU-LLVKDONJSA-N	312.366	1.878	50	20	DDGD	
CC(C)ONC(=O)NNC(=O)c1cccc(Br)c1	296357384	GLANLRTYAIGLQG-UHFFFAOYSA-N	316.155	1.733	50	20	DDGD	
CS[C@@H](C(=O)NNC(=O)[C@H]1CCCCO1)c1ccccc1	295360575	JFQHORWAANSHRS-CHWSQXEVSA-N	308.403	1.807	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)[C@@H]2CCCCO2)ccc1F	296242488	QACXQXJDEDADTE-ZDUSSCGKSA-N	309.341	1.534	50	20	DDGD	
CC(C)C[C@@H]1C[C@H](NC(=O)NNc2ncncc2F)CCO1	293075276	QVFUVHIKKJAVPS-GHMZBOCLSA-N	311.361	1.836	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC=CO1)Nc1ccc2c(c1)OCO2	802095655	AAUSUCQDPRKOBV-NSHDSACASA-N	305.290	1.261	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)ccc1C	295311472	FTYOKFZHTIKVJG-AWEZNQCLSA-N	304.346	1.528	50	20	DDGD	
COCCN1CC[C@H](NC(=O)NNc2cccc(Cl)n2)C1	292797037	VGLWLGPLFYEHCN-JTQLQIEISA-N	313.789	1.082	50	20	DDGD	
CCC(CC)n1nccc1C(=O)NNC(=O)c1ccnnc1	817693472	PIHNMEJTIAONFL-UHFFFAOYSA-N	302.338	1.109	50	20	DDGD	
C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NNc1ncncc1F	817080173	HALDNCXBAPMLAG-SSDOTTSWSA-N	312.251	1.805	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)CC1)c1ccc(Cl)cc1F	814862490	MAUGUEJYBLTUIQ-UHFFFAOYSA-N	318.757	1.774	50	20	DDGD	
CCOC(=O)NN=C(C)c1ccc(N2C(=O)CCC2=O)cc1	814212572	FZERTLMKTCRMDW-UHFFFAOYSA-N	303.318	1.810	50	20	DDGD	
C[C@H](NC(=O)NNc1ncncc1F)c1c(F)cncc1F	814332856	AMOSSMONDFZHJN-LURJTMIESA-N	312.255	1.676	50	20	DDGD	
C#CCn1cc(CNC(=O)[C@@H](Br)C(C)(C)C)cn1	819538063	QJDJSTUCCJDCLX-LLVKDONJSA-N	312.211	1.942	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@]1(C)CC1(F)F	817512341	APZDHLBDDYUUSC-OQPBUACISA-N	316.279	1.786	50	20	DDGD	
Cc1cc(C=NNC(=O)N=c2cc[nH]cc2)ccc1-n1cncn1	815003211	JJPRECCVYAQMNW-UHFFFAOYSA-N	321.344	1.548	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1cc(N2CCCC2=O)ccc1Cl	816631800	FWEZNAAYKRIBGS-UHFFFAOYSA-N	320.740	1.342	50	20	DDGD	
C[C@H](OCc1ccccc1)C(=NNC(=O)CO)C(F)(F)F	811646615	FQPKNCKOQIQCMT-VIFPVBQESA-N	304.268	1.619	50	20	DDGD	
C=Cc1ccc(CCNC(=O)NNC(=O)c2cnn(C)c2)cc1	812921441	JROKKZSROPHEQK-UHFFFAOYSA-N	313.361	1.250	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCc2nn[nH]c21)c1ccc(Cl)cc1	816818793	LSCDCCMOHLEUQO-SNVBAGLBSA-N	319.752	1.339	50	20	DDGD	
Cc1cc(C(F)(F)F)nn1CC(=O)NNc1ncc(F)cn1	810776624	AOIBQJAHJKETDC-UHFFFAOYSA-N	318.234	1.283	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCOC2)c1ccccn1	728512384	SFMDLVOQTIVWRL-UHFFFAOYSA-N	303.343	1.291	50	20	DDGD	
CCOC(=O)NN=C(C)c1ccc(S(C)(=O)=O)c(F)c1	496771494	CKRDWXUYKJVJNK-UHFFFAOYSA-N	302.327	1.699	50	20	DDGD	
CN(NS(=O)(=O)CCC1CCOCC1)C(=O)OC(C)(C)C	497226300	IGLNEJNWEORYMY-UHFFFAOYSA-N	322.427	1.504	50	20	DDGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1csnn1	727804696	NZAOMMSTZUTLER-UHFFFAOYSA-N	317.157	1.920	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccccc1[S@@](=O)C(F)(F)F	822563555	MKVLNOYPMDLSAD-HXNGOWOSSA-N	324.324	1.271	50	20	DDGD	
CC[C@@H](C)n1ncc(NC(=O)C(=O)NNC(=O)OC)c1C1CC1	495327163	VSXALKRKTINPMX-MRVPVSSYSA-N	323.353	1.057	50	20	DDGD	
CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1cnccc1C	823948434	MNBBQRLOXPYKFF-UHFFFAOYSA-N	321.344	1.724	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NN=Cc1ccc(O)nc1	496310478	QPSSSIZYEYTGRZ-UHFFFAOYSA-N	322.365	1.542	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C1CC(O)(CCC(C)(C)C)C1	823176130	ORSZTBQMEXMDON-UHFFFAOYSA-N	322.409	1.447	50	20	DDGD	
C[C@]1(C(=O)NNc2ccc(C(F)(F)F)cn2)CCNC1=O	822055469	OOQSJCGDVOPWMQ-NSHDSACASA-N	302.256	1.070	50	20	DDGD	
Cc1ccncc1C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	495353949	YGZUMLTYSZBYET-UHFFFAOYSA-N	322.365	1.066	50	20	DDGD	
CCn1ncc(C)c1NC(=O)NNc1cc(Cl)nc(N)n1	825156560	YTNNASPMOYREMT-UHFFFAOYSA-N	310.749	1.386	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C)[C@H](C)Cc1ccc(O)cc1	828072515	CMZXYMBJOKALHS-GFCCVEGCSA-N	307.394	1.058	50	20	DDGD	
CCn1nnc(C)c1/C=C(\C#N)C(=O)NCCCOC(C)C	491011460	OXAAKKCFQRFAIX-UKTHLTGXSA-N	305.382	1.445	50	20	DDGD	
CC[C@H](COc1ccccc1F)NCc1ccc(B(O)O)o1	585023030	FOEDLORBDWSJLQ-LLVKDONJSA-N	307.130	1.046	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)N[C@H]1C=CCC1	821092099	JJWOYFJVERRWFU-JQWIXIFHSA-N	307.325	1.642	50	20	DDGD	
COc1ccc(C2(C(=O)NN(C)[C@@H](C)CO)CCCC2)cc1	823965665	RKKLOSBLTLNEDP-ZDUSSCGKSA-N	306.406	1.851	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@H]1CCCN1Cc1ccc(F)cc1	823951914	NXFINGJUKNVDDW-IUODEOHRSA-N	309.385	1.134	50	20	DDGD	
CN(C)CC(=O)NN=C1C[C@H](NC(=O)OC(C)(C)C)C1(C)C	496369158	XZQKPLILYZDICT-JTQLQIEISA-N	312.414	1.343	50	20	DDGD	
C[C@@H](OCC1CC1)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	824728203	FAYXCBBHCHZOTI-SECBINFHSA-N	302.338	1.125	50	20	DDGD	
COCC(C)(C)CCCNC(=O)/C(C#N)=C\c1cnn(C)c1	491006419	DDGFFQHSCXVULA-ZSOIEALJSA-N	304.394	1.896	50	20	DDGD	
CCN(CCO)NC(=O)c1cn(C)nc1-c1ccccc1Cl	823855886	HVLRUKLEDFTUMN-UHFFFAOYSA-N	322.796	1.700	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C	495693070	LQBLLUDCDCIPAR-BDAKNGLRSA-N	303.359	1.265	50	20	DDGD	
O=C(O)NCCCC(=O)NNC(=O)Cc1ccc(Cl)cc1	739957344	RNWQFFYMXIRHSK-UHFFFAOYSA-N	313.741	1.078	50	20	DDGD	
Cc1ccc(-c2nc(CC(=O)N3CC[C@@H](B(O)O)C3)cs2)o1	585068899	GUDZERGHKPMBLV-SNVBAGLBSA-N	320.179	1.329	50	20	DDGD	
CCOCC(=O)NNC(=O)NC1CC(C)(c2ccccc2)C1	731283771	QUJIIZVBWMCUND-UHFFFAOYSA-N	305.378	1.474	50	20	DDGD	
O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)c1cccc(B(O)O)c1	584949605	NMXXKKKWTOOGGM-YJBOKZPZSA-N	323.201	1.508	50	20	DDGD	
CN1CCC(C#N)(NC(=O)/C(C#N)=C\c2ccc(O)cc2)CC1	491176405	PJPRNCMSONUCFH-UVTDQMKNSA-N	310.357	1.403	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)c2cccc(F)c2)c(=O)n(C)c1=O	588598341	TYQSWGGLJHECER-WDZFZDKYSA-N	313.288	1.013	50	20	DDGD	
CC(C)c1csc(CNC(=O)c2ccc(B(O)O)c(F)c2)n1	584960240	OLUYBVHKQPAYPA-UHFFFAOYSA-N	322.170	1.015	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)C[C@H]1C=CCC1	496323624	KTUASINSAKYZBB-NSHDSACASA-N	311.382	1.405	50	20	DDGD	
COc1ccnc(NNC(=O)c2cnc(-c3ccccc3)[nH]2)n1	736068481	INUHLUXBHQVMNG-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
CN(C)CCn1nccc1C(=O)NNc1ccc(F)cc1F	901164513	JPHJKEYURXMYRO-UHFFFAOYSA-N	309.320	1.480	50	20	DDGD	
CC(C)(C)[C@@H]1OCCC[C@H]1CNCc1ccc(B(O)O)cc1F	585024233	VONKSSDLKNCGMR-XJKSGUPXSA-N	323.217	1.436	50	20	DDGD	
Cc1nc(C)c(CCNC(=O)NNC(=O)C2CCCC2)s1	731123971	SVQYDJWMMCYTIQ-UHFFFAOYSA-N	310.423	1.823	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1C[C@@H](C)C[C@@H]1C	839494450	LRHAJFRDLYUIOS-JSGCOSHPSA-N	303.406	1.415	50	20	DDGD	
CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1F	900934954	CUFGMRVGIUDVOA-RDDDGLTNSA-N	302.733	1.647	50	20	DDGD	
COC(=O)CSCCNC(=O)[C@@]1(C)C[C@@H]1Br	906582845	QOURBZJLBMKXHV-XVKPBYJWSA-N	310.213	1.182	50	20	DDGD	
C[C@H]1CCC[C@H](C)N1CC(=O)NNC(=O)c1ccc(C#N)cc1	839485963	DZTPPYUCAQNMGB-STQMWFEESA-N	314.389	1.582	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccnc(F)c2)[C@@H]2CCCC[C@H]2N1	831919249	XGWXXMXDOVTDPK-SDDRHHMPSA-N	306.341	1.359	50	20	DDGD	
C[C@]1(C(=O)N2CCC[C@@H](OCCO)C2)C[C@H]1Br	907075197	SPTQLVZZZOJDFB-FOGDFJRCSA-N	306.200	1.160	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)CCc1ccccn1	732302753	PKRAQFZGQKTSAO-UHFFFAOYSA-N	319.386	1.561	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1F	839401121	BBPLLJXCCFDTEY-LLVKDONJSA-N	311.269	1.064	50	20	DDGD	
CCC(C)(C)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	837311650	SBNDBWYHXMHIAE-ZDUSSCGKSA-N	322.361	1.179	50	20	DDGD	
COCCOc1ccc(C=NNC(=O)NCC(F)(F)F)o1	901170107	HOMORNKYFXHIDZ-UHFFFAOYSA-N	309.244	1.500	50	20	DDGD	
CO[C@]1(C(=O)NNC(=O)CCOc2ccccc2)CCSC1	900436543	ZVNJDQSCNQUXDF-OAHLLOKOSA-N	324.402	1.125	50	20	DDGD	
CCC(Cc1ccccc1)=NNC(=O)[C@@H]1CCS(=O)(=O)C1	730575673	GCGZOWQDYAWXIR-CYBMUJFWSA-N	308.403	1.546	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1cc2c(nc1O)CCC2	733651870	XTNDOWXAGRYBKD-UHFFFAOYSA-N	306.366	1.152	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2)c1ccccc1	837405179	NYYPZBPDWUUICU-YUTCNCBUSA-N	314.385	1.727	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)nc1O	734862918	NZFGBFCABXUAPB-JGVFFNPUSA-N	321.287	1.411	50	20	DDGD	
O=C(NNC(=O)c1coc(-c2ccccc2)n1)c1ccccn1	737763166	LQMJGVCFZCYQHB-UHFFFAOYSA-N	308.297	1.811	50	20	DDGD	
CC(C)N1C[C@@H](NC(=O)NNc2cccc(C(=O)O)c2)CC1=O	833500899	PDLHKSLYDHWOHR-LBPRGKRZSA-N	320.349	1.020	50	20	DDGD	
O=C(NNC(=O)C1CCSCC1)c1cc(Cl)ccc1O	732996660	IMAWMIIZBYUGOO-UHFFFAOYSA-N	314.794	1.950	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2cc(C3CC3)[nH]n2)ccc1F	837034927	XPFNZQZPVDRLQK-UHFFFAOYSA-N	318.308	1.970	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CCCC2)n2nc(C)cc2n1	917106361	YNMDQWRHOKJDEV-UHFFFAOYSA-N	301.350	1.297	50	20	DDGD	
CCCCNC(=S)NNC(=O)[C@@H](C)CN1CCC(C)CC1	916118061	ZYJBJNNPAVHUJS-ZDUSSCGKSA-N	314.499	1.650	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNc1ccccc1[N+](=O)[O-]	913479281	ZVMTUUTVCWXSNC-UHFFFAOYSA-N	311.301	1.928	50	20	DDGD	
CC(C)CN1C[C@@H](C(=O)NNC(=O)CC2CCCC2)CC1=O	749945622	WLSBQLIIMZFMCY-ZDUSSCGKSA-N	309.410	1.219	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)Cc1ccccc1C)CC(C)C	841592953	SUWFVVJIGVGOFZ-HNNXBMFYSA-N	321.421	1.929	50	20	DDGD	
C[C@]1(C(=O)NNc2cc(O)nc3ncccc23)CCCCO1	913987804	KMRDDAGWZDIHDC-OAHLLOKOSA-N	302.334	1.738	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(Cl)nc1F	911505034	PBYKNMICFQNASM-BQBZGAKWSA-N	301.705	1.060	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccc(S(=O)(=O)C2CCC2)cc1	841376273	QUVLOADGAZPZBP-UHFFFAOYSA-N	322.386	1.184	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)C(C)(C)C)C(=O)OC(C)(C)C	843767263	CWFXPCAILUBHST-SNVBAGLBSA-N	300.399	1.794	50	20	DDGD	
Cc1nn(C(C)(C)C)c(C)c1C(=O)NNC(=O)c1ccc[nH]1	916131090	BCFRYCNEWGGXAU-UHFFFAOYSA-N	303.366	1.658	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NN(C)C[C@@H](C)O)c1C	910172785	FPYPJXHFNGYHQD-WPBJZHHJSA-N	318.421	1.766	50	20	DDGD	
CCc1c(C(=O)NNc2ccc(CC(=O)OC)cc2)cnn1C	846370898	RMSMMZRGWOJNNV-UHFFFAOYSA-N	316.361	1.455	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)Cc2ncc(C)s2)cc1	846377930	PTDIKAINEYRJQQ-UHFFFAOYSA-N	319.386	1.853	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C=NNC(=O)[C@H]2CCO[C@@H]2C)c1C	842559190	UIUMVLJUWVTKJQ-NEPJUHHUSA-N	321.377	1.683	50	20	DDGD	
CCNC(=O)COC(=O)/C(C#N)=C\c1ccc(OCC)cc1	849205154	QUWIUGLMDRBWMB-LCYFTJDESA-N	302.330	1.672	50	20	DDGD	
CC(C)N1CC[C@H](NC(=O)NNc2cc(F)ccc2F)C1=O	918830920	NKJJQKYHEKRDDW-NSHDSACASA-N	312.320	1.600	50	20	DDGD	
CCCc1cnc(NC(=O)NNC(=O)c2ncccn2)s1	841677546	OLUOWQAFBRYQGH-UHFFFAOYSA-N	306.351	1.352	50	20	DDGD	
CCNC(=O)CNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	915916326	QOHYBMONJAXHDS-UHFFFAOYSA-N	320.393	1.064	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCc2cc(C(=O)OC)ccc2C1	918397057	UPABVLYTCFPDNY-PTNGSMBKSA-N	314.341	1.802	50	20	DDGD	
CCn1nc(C)c(/C=C(\C#N)C(=O)NCCCOC(C)C)n1	840733369	PLUIHKLCXJQCNU-UKTHLTGXSA-N	305.382	1.445	50	20	DDGD	
CN1CCC[C@@H](NC(=O)NNc2cc(F)c(F)c(F)c2)C1=O	748665246	UDNZJABOTZZMOJ-SNVBAGLBSA-N	316.283	1.351	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc2ccccc2c(O)n1	843973906	JJEOQEQJZITFPV-GXSJLCMTSA-N	315.329	1.126	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCOCc1ccccc1	843647265	SOABDGFQYNJJFS-GXTWGEPZSA-N	306.362	1.166	50	20	DDGD	
CSC(C)(C)CNC(=O)NNC(=O)c1cccc(C#N)c1	743589090	DZKUZCSOMSASHE-UHFFFAOYSA-N	306.391	1.644	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(F)c(F)c1)[C@@H]1CN(C)CCO1	921559396	YXJKAUGPJIESTR-ZANVPECISA-N	314.336	1.310	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCC2(N)CCC2)c(F)c1	841966972	KGIACVRZFHEEAO-UHFFFAOYSA-N	310.329	1.120	50	20	DDGD	
CC1CC(C#N)(C(=O)NNC(=O)c2cccc(OC(F)F)c2)C1	758214636	KGRLVAZCQMBKPY-UHFFFAOYSA-N	323.299	1.989	50	20	DDGD	
C[C@H](CS(C)(=O)=O)C(=O)NNc1cc(F)cc(Cl)c1	855618929	WTCDEJJTKYURMZ-SSDOTTSWSA-N	308.762	1.603	50	20	DDGD	
C[C@H]1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)[C@@H]1C	752317586	CEKFCAJRFMHAKM-NWDGAFQWSA-N	300.362	1.050	50	20	DDGD	
O=C(NNC(=O)[C@@]1(C2CCCC2)CCNC1=O)C1CCCC1	858427660	FMTMWCFVUOTKSR-MRXNPFEDSA-N	307.394	1.021	50	20	DDGD	
O=C(NNc1cccnn1)c1cc([N+](=O)[O-])c2nsnc2c1	753098614	HYVVCAXOIFTHCG-UHFFFAOYSA-N	317.290	1.146	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=Cc1cnc2ccccn12	755539968	ARQVRBCIJNBIJF-UHFFFAOYSA-N	319.324	1.735	50	20	DDGD	
CC(C)n1ncc(C(=O)NC[C@@]2(C)C[C@H]2Br)c1N	857394326	MFHYCVMPDGSQQB-BXKDBHETSA-N	315.215	1.950	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1nc(C(C)C)ncc1Cl	854926108	QWSXFDINZYRSCZ-UHFFFAOYSA-N	301.803	1.334	50	20	DDGD	
CN1CC[C@@H](NC(=O)NNc2cc(F)cc(Cl)c2)C1=O	853771715	XQWMDHWKASDIEI-SNVBAGLBSA-N	300.721	1.336	50	20	DDGD	
O=C(NNc1ncncc1F)[C@@H]1CCCC[C@@H]1N1CCCC1=O	854609526	PRMWWSOUFMEEKM-PWSUYJOCSA-N	321.356	1.240	50	20	DDGD	
Cc1ccc(-c2nnn(CC(=O)NCCCSC#N)n2)cc1	854363071	KUBFMXBXTBZHOW-UHFFFAOYSA-N	316.390	1.369	50	20	DDGD	
CC1CC(C#N)(C(=O)NNC(=O)c2cccc(N(C)C)c2)C1	757623978	PKYMTWHWLKQLTQ-UHFFFAOYSA-N	300.362	1.453	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@@H]1[C@H](C)[C@H](OC)C1(CC)CC	759604973	NLKBOCDZXJBTTJ-VTPLQMEGSA-N	313.442	1.362	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CC2CCCC2)c(C(F)F)n1	755271182	MXIAEDMAJCHPIT-UHFFFAOYSA-N	300.309	1.699	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(C(F)(F)F)nc1C	854926812	MGZFFOFDBWUECA-UHFFFAOYSA-N	306.313	1.490	50	20	DDGD	
CN(C)CCOCCNC(=O)NC[C@@]1(C)C[C@H]1Br	856886745	NNVJLTJPJFZRKQ-ZYHUDNBSSA-N	322.247	1.037	50	20	DDGD	
CN(C)C(=O)N1CCC(NC[C@]2(C)C[C@H]2Br)CC1	856808567	AODWNKVTHSSTSC-YPMHNXCESA-N	318.259	1.896	50	20	DDGD	
CCc1nc(COC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)n[nH]1	754773255	QVWZCKMRPBXIMI-LFYBBSHMSA-N	324.344	1.536	50	20	DDGD	
COCCOC1CN(C(=O)NC[C@]2(C)C[C@@H]2Br)C1	856953332	QSWPJVQWZBMPBM-JQWIXIFHSA-N	321.215	1.217	50	20	DDGD	
CC(F)(F)CC(=O)OCC(=O)NNC(=O)c1ccccc1	758735486	VFXVHALLJCMEPZ-UHFFFAOYSA-N	300.261	1.036	50	20	DDGD	
CCN(CC)C(=O)CNC(=O)/C(C#N)=C\c1ccc(F)cc1	751521612	SJOWVQUYBZOYSD-LCYFTJDESA-N	303.337	1.717	50	20	DDGD	
CO[C@@]1(C)C[C@H]1NC(=O)NNC(=O)c1cc2ccccc2o1	852171963	CLISRFSNULLCFS-DOMZBBRYSA-N	303.318	1.554	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(C(=O)OC)c(F)c1	853295205	GDEGUIPFJRFSHG-UHFFFAOYSA-N	311.313	1.282	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1nc2ccccc2nc1C1CC1	854927359	FKAPDSMNZIZFMW-UHFFFAOYSA-N	315.402	1.588	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)Nc2cnns2)c1	755360451	BELUOHQUJRYKAQ-UHFFFAOYSA-N	321.362	1.387	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCCn2nc(C)cc2C)n1	933988133	WDJZHSMDIQBQOG-UHFFFAOYSA-N	318.381	1.530	50	20	DDGD	
CC[C@@](C)(O)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	935025501	QEXFXZYCNQEKLE-GFCCVEGCSA-N	322.333	1.287	50	20	DDGD	
O=C(Nc1ccc(N2CCCCC2)cc1)c1cccc(B(O)O)c1	863870540	IQJOYEUCCBSJJB-UHFFFAOYSA-N	324.189	1.609	50	20	DDGD	
Cc1cc(C(F)(F)F)nn1CC(=O)NN[C@@H](C)C(F)(F)F	862319352	BUVLUIBCRZAYNN-LURJTMIESA-N	318.221	1.782	50	20	DDGD	
Cc1cc(=NNC(=O)NC2(C(F)(F)F)CCOCC2)cc[nH]1	932308053	UPDVXXADEAJUBZ-UHFFFAOYSA-N	318.299	1.550	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)CCCC(C)=O	768381862	DUTWVHJBMVZHCR-UHFFFAOYSA-N	322.361	1.371	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H]2CCSC2)c1	762169044	FHAWJACPVCZHID-NSHDSACASA-N	305.428	1.739	50	20	DDGD	
CSCc1ccccc1NC(=O)C(=O)NNC(=O)C1CC1	763561312	DRLKGHRGCZBUEQ-UHFFFAOYSA-N	307.375	1.046	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc2c(N(C)C)cccc2s1	930734236	MVNUIUYFLQFMLL-UHFFFAOYSA-N	306.391	1.931	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)CC(C2CCC2)C2CCC2)nn1	863895428	MDFXWTGTOJLGRD-UHFFFAOYSA-N	317.393	1.625	50	20	DDGD	
CSc1ccc(CCCC(=O)NNC(=O)c2cn[nH]c2)cc1	862469214	BXZSXOMQDLSDRA-UHFFFAOYSA-N	318.402	1.916	50	20	DDGD	
C[C@H]1CCN(S(=O)(=O)CC(C)(C)CCl)[C@@H](C(N)=O)C1	867133207	XUOSNJGPXMFXHK-VHSXEESVSA-N	310.847	1.167	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CCC(C(F)(F)F)CC2)n[nH]1	768131565	LYIVGUOEUBJSQU-UHFFFAOYSA-N	318.299	1.848	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1ccc2ccccc2c1	763888331	JHPXTVWQXPUXRA-UHFFFAOYSA-N	313.357	1.972	50	20	DDGD	
COC1CCC(CC(=O)NNC(=S)NCCSC)CC1	769768111	YGWHFJSRJHKRMO-UHFFFAOYSA-N	319.496	1.440	50	20	DDGD	
Cc1cc(C)cc(OCCC(=O)NNC(=O)c2cn[nH]c2)c1	862473713	YYVCWDIXRLFAGB-UHFFFAOYSA-N	302.334	1.257	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H]1CCN(C(=O)c2ccccc2)C1	861842802	UTBVRJVQQOHIHN-AWEZNQCLSA-N	315.373	1.096	50	20	DDGD	
Cc1cc(C)c(NC(=O)C(=O)NNc2cnccn2)c(Cl)c1	766260230	MMOLJRFLHXFHOP-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
CC(C)c1ccccc1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1	860240338	GVFVPQBOCSCUQQ-LBPRGKRZSA-N	304.350	1.241	50	20	DDGD	
COc1ccc(C(=O)CCC(=O)NNc2ccn(C)n2)cc1	1116852674	QKBUHWUHPYFAFW-UHFFFAOYSA-N	302.334	1.535	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CC[C@@](O)(C3CC3)C2)cc(C#N)n1C	1116833435	YWDXHBWXBJYSCT-WMBZCPDOSA-N	324.384	1.486	50	20	DDGD	
O=C(NN=CC[C@@H]1CCOC1)c1nn(-c2ccccc2)cc1O	765570775	XAPGXDFTBJAVJP-GFCCVEGCSA-N	314.345	1.720	50	20	DDGD	
COc1ccc(C=NNC(=O)CCN2CCC(C)CC2)cc1O	1115813059	LTAJDEASTZAOKU-UHFFFAOYSA-N	319.405	1.973	50	20	DDGD	
CCCC[C@H](CCC)CNC(=O)NNC(=O)C1CCNCC1	1117965031	IMPWPGYZSZOLLO-ZDUSSCGKSA-N	312.458	1.923	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)COC1CCCC1	873767246	BABJLXBIVWKSCH-UHFFFAOYSA-N	323.418	1.972	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@]2(C)CCCCO2)cn1	874954965	GMNXFADGQWMIFJ-AWEZNQCLSA-N	324.406	1.367	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)COCCOC)[C@@H](C)C1	872401490	XGBWBWFWZBSDKG-NWDGAFQWSA-N	314.382	1.121	50	20	DDGD	
C[C@H]1CCC[C@@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)C1	1116120203	CMOGZVKCEZSULQ-WDEREUQCSA-N	304.394	1.876	50	20	DDGD	
O=C(CN1O[C@H]2C=C[C@H]1CC2)NNC(=O)c1ccccc1Cl	879803001	ZGBSFUMZHJHUMR-QWRGUYRKSA-N	321.764	1.435	50	20	DDGD	
COCCOCC(=O)NN=C1CC[C@H](C(=O)O)C(C)(C)[C@@H]1C	872400708	PNFSVLIVJFENPV-GHMZBOCLSA-N	314.382	1.279	50	20	DDGD	
Cc1ncc(NC(=O)C(=O)NNc2c(C)cccc2F)cn1	770816184	ZLPYSXQVIHYREV-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H]2CCNC(=O)C2)c1	873755320	IEOWEEKWTOQUKH-LLVKDONJSA-N	320.418	1.147	50	20	DDGD	
CC1=NO[C@@H](CNC(=O)NNC(=O)Cc2ccc(Cl)cc2)C1	875983549	YZXHAXFVQVXQHL-GFCCVEGCSA-N	324.768	1.378	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)OCCc2cn[nH]c2)cc(C#N)n1C	770767917	YFOBQVSQKIHUEB-RZNTYIFUSA-N	309.329	1.621	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccccc1Cl)C1CCOCC1	882805690	QBWBFBMLRNFBDE-UHFFFAOYSA-N	318.782	1.076	50	20	DDGD	
CC(C)(O)CCNC(=O)NNC(=O)c1cc2ccccc2o1	773363883	ZACRMTZHRISGSY-UHFFFAOYSA-N	305.334	1.538	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NC2(Cc3ccccc3)CC2)cn1	883750645	OUXDIOMFHVZWLI-UHFFFAOYSA-N	313.361	1.139	50	20	DDGD	
C[C@]1(COC(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1Br	1123039382	NKCRONZCXMOFHN-WCBMZHEXSA-N	318.127	1.508	50	20	DDGD	
O=S(=O)(CCCCl)N1CCC(O)(c2ccccc2)CC1	882074956	ITBXTZBKUCESAZ-UHFFFAOYSA-N	317.838	1.929	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C=C(C1CC1)C1CC1	772033582	ADUCRZUZAXFVQO-NSHDSACASA-N	322.405	1.858	50	20	DDGD	
O=S(=O)(CCCCl)N1CCN(c2cccc(F)n2)CC1	882235492	PWRQVNJGOCFMQW-UHFFFAOYSA-N	321.805	1.301	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(OCCOC)cc1	887144534	QCHUWGHPZPNKCQ-UHFFFAOYSA-N	304.346	1.276	50	20	DDGD	
O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)CBr	782435406	QSRBMKJDYFOSNY-UHFFFAOYSA-N	314.088	1.795	50	20	DDGD	
CC(C)(C(=O)NNc1cc(F)ccc1F)S(=O)(=O)C1CC1	885141547	HARCYFPRZRTNIY-UHFFFAOYSA-N	318.345	1.764	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](NC(=O)NNc2ccc(C#N)cn2)CCO1	888745741	AQXXPFNARDYLKY-STQMWFEESA-N	303.366	1.783	50	20	DDGD	
Cc1c(F)cccc1NC(=O)C(=O)NNc1ncncc1Cl	782166367	SUCNDTKTHOLARX-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2ccccc2C(N)=O)c(C)c1	788703530	IAGHKIRJAOSVMA-UHFFFAOYSA-N	324.384	1.965	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNc1ncc(F)cc1F	880249534	CYXUDWNZBCOJQW-JVXZTZIISA-N	307.304	1.892	50	20	DDGD	
CC[C@@H](C)Oc1ccc(C(=O)NNC(=O)c2cccnn2)cc1	882057466	DIDFDXDNUHJQAI-LLVKDONJSA-N	314.345	1.729	50	20	DDGD	
CCN(CC)CC(=O)Nc1cccc(NC(=O)NN(C)C)c1	788259785	ZYSMGFPYYCWGMS-UHFFFAOYSA-N	307.398	1.565	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2	785408738	VNQICLYHZXRVSW-FNCVBFRFSA-N	309.288	1.081	50	20	DDGD	
C[C@H](OC[C@H]1CCCCO1)C(=O)NNC(=S)NC(C)(C)C	899995299	LRHXLIZXVLWELS-WDEREUQCSA-N	317.455	1.254	50	20	DDGD	
CN(C)[C@H]1CCCC(=NNC(=O)[C@@H]2COc3ccccc3O2)C1	788408653	VMMAWWBBCIIDGS-BBRMVZONSA-N	317.389	1.803	50	20	DDGD	
C=CCOc1cccnc1C(=O)NNc1ncncc1Cl	781819431	GGHJRKAFXFZLBX-UHFFFAOYSA-N	305.725	1.847	50	20	DDGD	
O=C(O)Cc1ccc(OS(=O)(=O)CBr)cc1	390220069	YSRWHDYYAJVIPA-UHFFFAOYSA-N	309.137	1.375	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@@H]1COc2ccc(O)cc2O1	896147922	BMJIDILMBMLQQZ-LBPRGKRZSA-N	308.334	1.116	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccc2ccccc2c1)C(=O)OC	790359721	SRZFYMOXCRFUNK-AWEZNQCLSA-N	314.341	1.800	50	20	DDGD	
O=C(NN=Cc1cccc2c1OCO2)c1ccc(O)c(O)c1	794558988	NILBINHNFOOKFC-UHFFFAOYSA-N	300.270	1.590	50	20	DDGD	
COc1ccccc1CONC(=O)NNC(=O)CC(C)(C)C	798538250	XMZZFXVPUWIMPC-UHFFFAOYSA-N	309.366	1.893	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1nc(Br)ccc1F	792303624	RKBXUCBFUNPIJK-UHFFFAOYSA-N	311.114	1.557	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1c(C)nn(CC(F)F)c1C	798306598	NBEBAOXADYQRHI-UHFFFAOYSA-N	317.365	1.060	50	20	DDGD	
CCC(=NNC(N)=O)c1ccc(Cl)c(S(=O)(=O)NC)c1	794845463	PLVVBNYZVDRGOP-UHFFFAOYSA-N	318.786	1.031	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2ccnn2CC2CC2)n1	797648354	ZNQGMKTXRIODPK-UHFFFAOYSA-N	314.349	1.463	50	20	DDGD	
CC1CCC(OCC(=O)NNC(=S)NCC2CCC2)CC1	798125324	OYKJUAGOLHOTAO-UHFFFAOYSA-N	313.467	1.877	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCc2sccc2C)n1	792854029	OTBVSGAJKSKLRE-UHFFFAOYSA-N	304.375	1.904	50	20	DDGD	
CSc1cccc(F)c1C(=O)NNc1ccc(C(N)=O)nn1	799101468	MUWOIYGKEIDQNF-UHFFFAOYSA-N	321.337	1.193	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1cccc2c1OCO2	792376008	ODMUOLKAZSUCLZ-UHFFFAOYSA-N	314.301	1.201	50	20	DDGD	
Cc1ccc2c(c1)CCN(CC(=O)NNC(=O)c1ccccc1)C2	792313215	VKEMSWJLTZTPTK-UHFFFAOYSA-N	323.396	1.814	50	20	DDGD	
Cc1cc(NNC(=O)CNC(=O)c2ccc(C)s2)nc(C)n1	1318617178	HLFIELQZISWTHC-UHFFFAOYSA-N	319.390	1.336	50	20	DDGD	
C=C[C@@H](COC)NC(=O)NNC(=O)COc1ccccc1CC	1320605596	RYUZUDKXCPRYFY-ZDUSSCGKSA-N	321.377	1.159	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)CCO)cc1Cl	1320347152	NFWMPKNANGYUCI-UHFFFAOYSA-N	301.730	1.274	50	20	DDGD	
Nc1cnnc(NNC(=O)NCc2cccc(CO)c2)c1Cl	1324500569	ACZGESWUIDWUDG-UHFFFAOYSA-N	322.756	1.031	50	20	DDGD	
CCc1nn(C)c(Cl)c1C(=O)NNC(=S)NC(C)C	1323238996	PZSRWWIXSNFYHU-UHFFFAOYSA-N	303.819	1.153	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNC(=S)NC(C)C)ccc1C	1248688115	IHZUBJNWZYSFCW-UHFFFAOYSA-N	308.407	1.471	50	20	DDGD	
Cn1nc(C(=O)NNc2nncc(N)c2Cl)c2c1CCCC2	1328667496	ZGNYTWWURZJPJR-UHFFFAOYSA-N	321.772	1.081	50	20	DDGD	
CC(C)n1ncc2cc(NC(=O)NNC(=O)CCO)ccc21	1323986946	UAFWLVDVAJQPNL-UHFFFAOYSA-N	305.338	1.152	50	20	DDGD	
CCOc1ccc(C(=O)CCC(=O)NNc2ccn(C)n2)cc1	1322274503	XULDLSNUQWMOFX-UHFFFAOYSA-N	316.361	1.925	50	20	DDGD	
Cc1onc(CO)c1C(=O)NNc1ccc(C(F)(F)F)cn1	1326793702	TWMMXVRQGDSXER-UHFFFAOYSA-N	316.239	1.646	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)C(=O)Nc1cccnc1	1255139474	HIBUNJHVFKUQJP-UHFFFAOYSA-N	308.301	1.107	50	20	DDGD	
CC(C)CCCNC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1334674418	WPZYLSKCBSUDIR-ZWNOBZJWSA-N	319.243	1.829	50	20	DDGD	
Cc1nn(C)c2ncc(C=NNC(=O)C3CCOCC3)cc12	1330915229	AUMIGMUWBLWEBD-UHFFFAOYSA-N	301.350	1.153	50	20	DDGD	
CC(C)c1ccccc1NC(=O)NNC(=O)C1CCNCC1	1331211191	REFIONCGWZJITD-UHFFFAOYSA-N	304.394	1.962	50	20	DDGD	
CCOC(=O)C1(NS(=O)(=O)CBr)CCCC1	1258190989	FXEMCXVLGONSSP-UHFFFAOYSA-N	314.201	1.134	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)NC2CCCCC2)C[C@@H]1Br	1334673945	UJXSSGJSBGOXKI-GXFFZTMASA-N	317.227	1.725	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1cnc(C(F)(F)F)nc1	1330723317	YEZSJMAADQGKQM-UHFFFAOYSA-N	317.271	1.838	50	20	DDGD	
CCOC(=O)C1(CNC(=O)NNc2cccc(F)n2)CCCC1	1340439877	SBPDBEBPPNDFEG-UHFFFAOYSA-N	324.356	1.970	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NC[C@@H]2CCOC2)ccc1F	1261293876	BDVDFFQHHJXYFY-VIFPVBQESA-N	311.313	1.275	50	20	DDGD	
CCOc1cc(C(=O)NNc2cc(C(F)(F)F)ccn2)[nH]n1	1351024348	SFXADNRPGWIYKH-UHFFFAOYSA-N	315.255	1.979	50	20	DDGD	
C[C@@]1(C(=O)N2CCc3ncnc(O)c3C2)C[C@H]1Br	1350718212	WJCIVKJCWWWSNL-BXKDBHETSA-N	312.167	1.240	50	20	DDGD	
Cc1cccc(NCCNC(=O)NNC(=O)C2CCCC2)n1	1357159221	HXVRZJYPGFGHNT-UHFFFAOYSA-N	305.382	1.323	50	20	DDGD	
CC(C)c1nnsc1C(=O)NNC(=S)NC(C)(C)C	1357260631	CDFQXLGOTPNDHF-UHFFFAOYSA-N	301.441	1.569	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)/C=C\c1nccs1	1518680283	RXHZURHJVROCAM-PLNGDYQASA-N	314.436	1.030	50	20	DDGD	
C[C@H](C(=O)N(c1nc(CC(=O)O)cs1)N(C)C)n1cccn1	1603138982	ZNIQRVSZQRFUCJ-SECBINFHSA-N	323.378	1.038	50	20	DDGD	
O=C(O)[C@@H]1CCN(S(=O)(=O)CCCCCl)[C@H]2CCC[C@@H]21	1608634745	GAOJKXNZIARXSS-UTUOFQBUSA-N	323.842	1.910	50	20	DDGD	
O=C(O)Cc1ccccc1NC(=O)NNc1ccc(F)cn1	1606320470	DVOILMYIMOIJEE-UHFFFAOYSA-N	304.281	1.996	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@@H]1CCc2ccccc2O1	1606528432	GJISDOWDBNMCPS-ZDUSSCGKSA-N	313.313	1.617	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2cc3cccn3cn2)cc1	1602128991	JJKGAVIAPHOGPH-UHFFFAOYSA-N	310.313	1.718	50	20	DDGD	
O=C(O)CSCCC(=O)NNc1cc(F)c(F)c(F)c1	1602098627	NFHBSYCVYCVWJZ-UHFFFAOYSA-N	308.281	1.755	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCc2ccc(CC(=O)O)cc2)cn1	1600945997	KBWLLGQOXGXSPB-GIDUJCDVSA-N	324.340	1.271	50	20	DDGD	
Cc1cc(COCC(=O)NNc2ccccc2C(=O)O)on1	1607650821	HXTFELIURBIVLT-UHFFFAOYSA-N	305.290	1.341	50	20	DDGD	
COC(=O)c1cc(OC(=O)CCCC(=O)O)ccc1[N+](=O)[O-]	1606564007	QUNUVWFCRWAUEZ-UHFFFAOYSA-N	311.246	1.542	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2ccc(C(=O)O)o2)c1	1610377405	JKYLNEOZQKYNPO-UHFFFAOYSA-N	324.314	1.138	50	20	DDGD	
CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)Br	1801960906	LDJYHWGQMUJQCF-CZULRBLNSA-N	303.200	1.428	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H]2CCCO[C@@H]2c2nccn2C)on1	1549510453	OOTOTOQRFFUHOU-OLZOCXBDSA-N	317.349	1.335	50	20	DDGD	
C=C(CCC(=O)O)C(=O)N(C)NC(=O)OCc1ccccc1	1573325231	GSNYVZKERQEKSX-UHFFFAOYSA-N	306.318	1.707	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@H](N)CCCC#N)c1ccccc1	1576938709	KQFWEQZTYIWRKB-ZIAGYGMSSA-N	302.378	1.349	50	20	DDGD	
NCc1nc(CC(=O)NNC(=O)c2ccccc2Cl)cs1	1580352971	SDEICNFLMSAADQ-UHFFFAOYSA-N	324.793	1.259	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cn[nH]c2)C1	1843500459	QFCKBSOZNUHDRJ-LBPRGKRZSA-N	324.812	1.634	50	20	DDGD	
C[C@@H](C(=O)O)C(=O)NNc1ccc(F)cc1Br	1588576445	RECDPJPKFXBGLZ-RXMQYKEDSA-N	305.103	1.752	50	20	DDGD	
C[C@@H](C(=O)O)n1cccc1C=NNC(=O)NCc1ccccc1	1589540384	WPXYALBBCPTWTP-LBPRGKRZSA-N	314.345	1.967	50	20	DDGD	
Cc1nc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)c(C)s1	1592349077	AGQIUAALSHDYEW-UHFFFAOYSA-N	316.350	1.092	50	20	DDGD	
COC(=O)c1ccccc1C(=O)NNc1ccc(C(=O)O)cn1	1599003847	ZHJKHCIQDAPTML-UHFFFAOYSA-N	315.285	1.323	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cccc(O)c1F	1593168158	ZOAHGJGXIAKBKT-UHFFFAOYSA-N	314.280	1.468	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)c1cnccc1-c1nn[nH]n1	1593161533	ZJBCMWMJHUUOBQ-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(C(=O)O)cnc1Cl	1596663720	ZXNPBDSNFPDFBD-UHFFFAOYSA-N	302.674	1.216	50	20	DDGD	
COc1ccc([C@H](CC(=O)O)NC=C(C#N)C#N)c(OC)c1	1599514815	LMUUVUTUAMGZDY-ZDUSSCGKSA-N	301.302	1.740	50	20	DDGD	
O=C(NN=Cc1ccn([C@H]2C[C@H](C(=O)O)C2)n1)c1nccs1	1776109491	MFCGTJCYTMADOH-CZMCAQCFSA-N	319.346	1.139	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)c1ccc[nH]1	158856234	JPHAPNFHHCPKHP-VHSXEESVSA-N	305.284	1.858	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2C)[nH]n1	153093181	UMQIRBNRMCMNJS-UHFFFAOYSA-N	324.344	1.287	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)Cc2ccccc2F)[nH]n1	153197667	DISQEGJBSWAYIZ-SECBINFHSA-N	304.325	1.497	50	20	DDGD	
COc1ccc(NNC(=O)NCCC2CCN(C)CC2)nc1	157509946	CLOGJFHFUJWSEJ-UHFFFAOYSA-N	307.398	1.448	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)/C=C/c1ccc(F)cc1	156113663	GOHWJBVDDNHWPQ-JXMROGBWSA-N	321.352	1.291	50	20	DDGD	
O=C(/C=C/c1ccc2c(c1)OCO2)NNc1ncc(F)cn1	157480658	LORTXVWTXCYNPI-DUXPYHPUSA-N	302.265	1.501	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NNC(=O)c2ccc[nH]2)C1	159158778	JKKNSLXBGZKCKZ-NEPJUHHUSA-N	320.393	1.060	50	20	DDGD	
C[C@H](O)C[C@@H]1COCCN1C[C@H](CBr)C1CC1	859254042	MFLVXKXNWXEJCN-WCFLWFBJSA-N	306.244	1.879	50	20	DDGD	
O=C1C[C@H]2CC[C@@H](CN1)N2C[C@@H](CBr)C1CC1	859157059	YBXRWODUUGFKKX-UTUOFQBUSA-N	301.228	1.760	50	20	DDGD	
CN(C[C@H](O)CN(C)C1CC1)NC(=O)OCc1ccccc1	859386427	OULTXACWXOHNHR-OAHLLOKOSA-N	307.394	1.215	50	20	DDGD	
CCOC(=O)/C(C#N)=C\c1ccc(OCC(=O)O)c(OC)c1	35657520	CNAXETAWUIWGKP-WDZFZDKYSA-N	305.286	1.629	50	20	DDGD	
CNC(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1	56376875	FQMPDSOLTGBHKX-LURJTMIESA-N	306.149	1.721	50	20	DDGD	
O=C(CC1CCCCC1)NCCNC(=O)NNc1ncccn1	102022336	GRSKHFXUIUFJJC-UHFFFAOYSA-N	320.397	1.189	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NC1CCN(C(=O)C(CC)CC)CC1	55010305	IHTUTKZVYUSMEV-WYMLVPIESA-N	321.421	1.974	50	20	DDGD	
O=C(NNc1ncccn1)[C@H]1CCCN(Cc2ccccc2)C1	57155011	LJNWBRCOXCPILJ-HNNXBMFYSA-N	311.389	1.832	50	20	DDGD	
O=C1O[C@@H](C(=O)NNc2ncccc2Cl)Cc2ccccc21	114885878	FMVUAISOMGRNNA-GFCCVEGCSA-N	317.732	1.960	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(N3CCCC3=O)cc2)ncn1	172277527	SZHMITBSFRSKRY-UHFFFAOYSA-N	311.345	1.669	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@H](C)C2CC2)cc1OC	175204011	PVBQQAIJFZFKIZ-SNVBAGLBSA-N	306.362	1.901	50	20	DDGD	
O=C(Cc1cccc([N+](=O)[O-])c1)NNC(=O)NCc1ccco1	173260872	YNTJHCNUHCMPET-UHFFFAOYSA-N	318.289	1.261	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1cc2ccccc2[nH]c1=O	172440920	OFTOPNBZCSKQHI-UHFFFAOYSA-N	315.720	1.728	50	20	DDGD	
CNc1nc(C(=O)NNC(=O)CCc2ccccc2)cs1	118962620	DGAGYEYLRYKMCF-UHFFFAOYSA-N	304.375	1.579	50	20	DDGD	
CN(C)CC(=O)NNC(=O)CCCOc1ccccc1Cl	113427223	IXYLHJKHRVXVTL-UHFFFAOYSA-N	313.785	1.208	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	179384597	PTCFPIBDAPVPJO-MELADBBJSA-N	309.410	1.666	50	20	DDGD	
CN1N=C(C(=O)NNc2cc(F)c(F)cc2F)CCC1=O	172089178	BSANXNRFWHUPSI-UHFFFAOYSA-N	300.240	1.155	50	20	DDGD	
CN(C)N(C(=O)c1ccc(Cl)o1)[C@H]1CCS(=O)(=O)C1	68525988	RYJKCHCDEDHCKZ-QMMMGPOBSA-N	306.771	1.039	50	20	DDGD	
COCCCN(C)CC(=O)NNC(=O)c1ccccc1Cl	66379538	WZPDFJGMRAHKEJ-UHFFFAOYSA-N	313.785	1.069	50	20	DDGD	
COc1cc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)on1	121442634	KPERUIFZYJRTCX-UHFFFAOYSA-N	314.301	1.168	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNc1ccc(C(=O)OC)cn1	179788463	IAPDZGJNESGSIL-GFCCVEGCSA-N	306.366	1.186	50	20	DDGD	
O=C(NNC(=O)C1[C@@H]2CCC[C@@H]12)c1ccc2c(c1)OCCO2	177621772	KXPLIRGPOSCPRH-GHMZBOCLSA-N	302.330	1.265	50	20	DDGD	
CN(C)c1cc(C(=O)NNC(=O)c2ccc[nH]2)c2ccccc2n1	184915748	OQRXZAKMYPNSPW-UHFFFAOYSA-N	323.356	1.704	50	20	DDGD	
NC(=O)[C@@H](NNC(=O)CCOc1ccccc1)c1ccccc1	127257994	RGBKJKDGDWGWKU-INIZCTEOSA-N	313.357	1.303	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=S)NCCc1cccs1	127903778	LAIUJLTZHXRTFH-JTQLQIEISA-N	317.505	1.928	50	20	DDGD	
CC(=O)NNC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1	183974249	WNAHWBVFHARSEY-UHFFFAOYSA-N	301.306	1.787	50	20	DDGD	
CCc1ncc(NC(=O)NNC(=O)c2ccc(C#N)cc2)cn1	183325817	VWSYHBMTOXIXJB-UHFFFAOYSA-N	310.317	1.377	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNC(=O)c1c[nH]c2ccccc12	129203953	VFXUNJVGLCMEIA-JTQLQIEISA-N	304.350	1.537	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1ccc(CCC(C)C)cc1	32531997	SZJCMSCBQKOCEJ-UHFFFAOYSA-N	300.380	1.825	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2ccccc2C)c1	73315356	IXIGDROODQDSFN-UHFFFAOYSA-N	313.357	1.877	50	20	DDGD	
CN1CCC[C@@H]1CNC(=O)NNC(=O)Cc1ccc(Cl)cc1	139357582	RTYUEYKKWMWLCM-CYBMUJFWSA-N	324.812	1.307	50	20	DDGD	
O=C(C#Cc1ccc2c(c1)OCO2)NNc1ccncc1Cl	135874078	LIMUXXPHTNCUOD-UHFFFAOYSA-N	315.716	1.959	50	20	DDGD	
C[C@H](Cc1cccc(F)c1)C(=O)NNC(=O)Cc1ccncc1	81027768	AIPNJRCIEXSCRX-GFCCVEGCSA-N	315.348	1.789	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1ccn(CC(F)F)n1	192916092	MDABQZWEQJHSPZ-UHFFFAOYSA-N	323.303	1.021	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C(C)(C)O)oc2ccc(Cl)cc12	190055034	SAVAAZQCEUZYOU-UHFFFAOYSA-N	310.737	1.927	50	20	DDGD	
CCN(CC)C(=O)CCCNC(=O)NNC(=O)c1ccccc1	46967162	IIOVBOBSSDWIHP-UHFFFAOYSA-N	320.393	1.279	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccc(Cl)cc1C(F)(F)F	192925706	GUOGNHQYPHWAKZ-UHFFFAOYSA-N	324.686	1.891	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1nccn1-c1ccccc1	195318944	YSQPECNCCQKBRP-JLHYYAGUSA-N	302.359	1.628	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)NC[C@@H]1CCCOC1	144761780	UWJQALBJDQXTHC-ZDUSSCGKSA-N	321.377	1.213	50	20	DDGD	
C[C@@H]1CC[C@H](CC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)C1	247777631	XASWBPFFNSYOPP-AGIUHOORSA-N	302.440	1.305	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCN1Cc1ccccc1)NC1CC1	266839329	MDVGKJFWBPGVDC-HNNXBMFYSA-N	316.405	1.534	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=S)Nc1ccc(C)cc1C	263656477	NNFYFNUDAKDZKM-WDEREUQCSA-N	321.402	1.430	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N[C@H](C)CCN(C)C)c1ccccc1	264751487	KCYKGQDQXOPLJQ-UKRRQHHQSA-N	320.437	1.851	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@H](C)Oc2ccccc2)n1	265059022	DROGYZYBHGLRAB-LLVKDONJSA-N	317.349	1.579	50	20	DDGD	
CN1C[C@@H](NC(=O)NNc2ccccc2C(F)(F)F)CC1=O	267493214	KRRMHBPQTYRLTP-QMMMGPOBSA-N	316.283	1.562	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)c2ccccc2O)CCCS1	268335224	NWMKLIVAAWTVDY-CQSZACIVSA-N	309.391	1.622	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@@H]1CCCc2ccccc21	264043241	STCUEEMGMZLNET-MRXNPFEDSA-N	309.369	1.892	50	20	DDGD	
CCc1nc(-c2ccc(C(=O)NNC(=O)NC3CC3)cc2)n[nH]1	269327066	WDIOCWOSMQNSPU-UHFFFAOYSA-N	314.349	1.141	50	20	DDGD	
O=C(NNC(=O)c1cccc(OC(F)(F)F)c1)NC1CC1	268611301	MLTFXJLHRWBWSA-UHFFFAOYSA-N	303.240	1.692	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)CNc1ccccc1OC	269875007	VSBKUUJLBYTLDQ-NSHDSACASA-N	309.366	1.070	50	20	DDGD	
C[C@H]1CC(=O)NCCN1C(=O)/C(C#N)=C\c1ccc(F)cc1	369962014	MRICPVQHJIZZMI-KWJWQAOWSA-N	301.321	1.470	50	20	DDGD	
C[C@H]1C[C@H](CNC(=O)NNC(=O)Cc2ccccc2F)CCO1	271323255	BHXCGZTZYULPBK-NWDGAFQWSA-N	323.368	1.514	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2[nH]ncc2C1)c1ccccc1F	270161089	YQMPTWSBBHSJIA-SECBINFHSA-N	302.309	1.115	50	20	DDGD	
CC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)c1ccccc1C	272948258	KAFIMONUHOZXKY-AWEZNQCLSA-N	305.378	1.307	50	20	DDGD	
C[C@@H](C(=O)NN(C)c1ccccc1)n1nnnc1C(C)(C)C	273500256	YPPZRBBFZSBSDK-NSHDSACASA-N	302.382	1.699	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](NC(=O)NNc2nc3ccccn3n2)CCO1	277009384	ZLHNWEFOVVUCQH-RYUDHWBXSA-N	318.381	1.559	50	20	DDGD	
COC[C@H](NS(=O)(=O)CBr)c1ccc(C)o1	272824892	PTYUQGDIUIYZRI-QMMMGPOBSA-N	312.185	1.547	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc(C#N)cc2)CCO1	271302389	UWGRDIIKHJNVEH-ZWNOBZJWSA-N	302.334	1.070	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NNc2ccc(Cl)nn2)C1(C)C	271754946	AHFIWUIWLQMAIL-WHGOUJPWSA-N	313.789	1.816	50	20	DDGD	
CN(C)C1(CNC(=O)NNc2nc3ccccn3n2)CCCC1	276752122	YKJDPGZJKMVTNV-UHFFFAOYSA-N	317.397	1.230	50	20	DDGD	
CO[C@@H]1CCCN(C(=O)NNC(=O)C(C)(C)c2ccccc2)C1	271256075	LMWQDXWUDICSDU-CQSZACIVSA-N	319.405	1.816	50	20	DDGD	
CN1CCO[C@H](C(=O)NNc2cc(Cl)cc(Cl)c2)C1	276843471	JQNQSOWVLOTDOW-NSHDSACASA-N	304.177	1.767	50	20	DDGD	
N#CC1=CCN(C(=O)CSc2nnnn2C2CCCC2)CC1	270908924	GVFKAMBTFAHTKV-UHFFFAOYSA-N	318.406	1.563	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NOC[C@H]1CCOC1	276284214	LOGDLRJZLXWNIT-NSHDSACASA-N	308.338	1.299	50	20	DDGD	
CC(C)Cn1cc(NC(=O)NNC(=O)c2ccccc2O)cn1	273463407	IOIYPGPXEFFXIL-UHFFFAOYSA-N	317.349	1.711	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@H]1CCCN1C1CC1	279808285	XABLRPQZKMETCU-CQSZACIVSA-N	305.353	1.142	50	20	DDGD	
CC1(C)CC[C@@H]1NC(=O)NNC(=O)COc1ccc(C#N)cc1	288076496	RKMGGORLOQOFGC-ZDUSSCGKSA-N	316.361	1.456	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CNc1ccccc1)C1CCOCC1	280101505	XTKUNBLHFHQVAX-UHFFFAOYSA-N	319.405	1.699	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)[C@@H]1CC12CCOCC2	371851778	CFIGPSOGBYXEQM-ZDUSSCGKSA-N	322.336	1.169	50	20	DDGD	
Cc1cccnc1NNC(=O)c1ccnc(NC(=O)C2CC2)c1	285520031	ABIBKAVYXUNWMK-UHFFFAOYSA-N	311.345	1.890	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)CNc2ccc(C)cc2)CC1	282143043	VMZHBNHJJKDQCD-UHFFFAOYSA-N	305.378	1.371	50	20	DDGD	
O=C(C[C@@H]1CCCC(=O)N1)NNc1cc(F)c(F)c(F)c1	289222501	CORPLFSWAHTHFH-ZETCQYMHSA-N	301.268	1.606	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1c(F)c(F)cc(F)c1F	295582936	OMWYVEXEDCVUMC-QMMMGPOBSA-N	320.242	1.573	50	20	DDGD	
N#C[C@]1(C(=O)NNC(=O)Cc2ccc(F)cc2)CC12CCCC2	294445243	SJQMAVDITKOHMV-KRWDZBQOSA-N	315.348	1.990	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)C2CCCC2)c(Cl)n1	800832803	AWQBCMCQQSTTIO-UHFFFAOYSA-N	317.798	1.543	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNc1ncc(F)cc1F	296994759	QKMMEUCBKXAACD-UHFFFAOYSA-N	314.336	1.745	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H]1C[C@H](C)CC(=O)N1	293686316	RUCLNLTUGOTZNN-CABZTGNLSA-N	304.350	1.062	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2ncccc2F)ccc1F	807300212	DEZMWNNVTSSEKE-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
CC[C@@H](C)C(=O)NN=C1C(=O)N(CCN(C)C)c2ccccc21	807964647	PQYPTXKCJBHFAE-GFCCVEGCSA-N	316.405	1.461	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1ccc2cncn2c1	803430471	GFYRPCVBMHRGMI-UHFFFAOYSA-N	319.324	1.933	50	20	DDGD	
CCc1[nH]nc(C(=O)NNC(=O)Nc2ccccc2)c1[N+](=O)[O-]	801989518	VUZKZBFDMCEQLE-UHFFFAOYSA-N	318.293	1.347	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C[C@H]2CCCCO2)cc1	802061186	SETLYEZIJZTEDS-CYBMUJFWSA-N	307.350	1.807	50	20	DDGD	
CCNC(=O)CCCC(=O)NNc1cccc(NC(C)=O)c1	293820974	CYNNBOWPYQVVOB-UHFFFAOYSA-N	306.366	1.395	50	20	DDGD	
COCCCn1nccc1C=NNC(=O)Cc1ccc(F)cc1	802708005	QRIIWAWYQNCQJR-UHFFFAOYSA-N	318.352	1.752	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1ccc(CCCCl)cc1	295808926	BMFXELBNQVFWNR-UHFFFAOYSA-N	320.798	1.750	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)Nc1cc(F)cc(F)c1)C1CC1	291547250	AKCDCBMLDOZQNV-AWEZNQCLSA-N	313.304	1.933	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCCc1nc2ccccc2[nH]1	299062293	SEFUYSLIMHMMNU-UHFFFAOYSA-N	317.393	1.872	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@@H]2CCc3c(O)cccc32)O1	297920128	LAIYKFBXWKPDNY-BHYNMZESSA-N	319.361	1.277	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc(C(F)(F)F)nc1O	294266105	GOEZISGMYRBSHU-UHFFFAOYSA-N	321.255	1.976	50	20	DDGD	
CCC(=NNC(=O)C(=O)N1CCCC1)c1ccc(F)cc1F	814824900	PGCUMXYWSNUURC-UHFFFAOYSA-N	309.316	1.818	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc2ccccc2nc1O	818295775	MNHBKXCHPYXYGI-UHFFFAOYSA-N	302.359	1.235	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCCCC(=O)O)cc(C#N)n1C	818772693	JLXIFNSRGOESPJ-SDQBBNPISA-N	300.318	1.093	50	20	DDGD	
Cn1nncc1NNC(=O)COc1ccccc1C(C)(C)C	816771429	MFGKAZFURAUGNK-UHFFFAOYSA-N	303.366	1.635	50	20	DDGD	
CCCCN(C)C[C@@H](C)NC(=O)NNc1ncncc1Cl	811929400	DBPXFSOSKMGKGC-SNVBAGLBSA-N	314.821	1.877	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(S(=O)(=O)CCl)C1	817146058	OCQSOGKALBYEMP-NXEZZACHSA-N	311.831	1.812	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)CCc1ccc(OC)cc1	812480917	UCEDRPKIJDGPHY-STQMWFEESA-N	322.405	1.694	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)Cn2ccc3ccccc32)cn1	814838768	ARAWEGTXLOKEHR-UHFFFAOYSA-N	322.372	1.648	50	20	DDGD	
COc1ccc(OC)c(CC(=O)NNc2ncncc2F)c1	817083823	UNFRALBSYPNAEH-UHFFFAOYSA-N	306.297	1.319	50	20	DDGD	
CC(CC1(C(=O)O)CCC1)=NNC(=O)CNC(=O)c1ccco1	814826633	DSBRMHYIOGCSTI-UHFFFAOYSA-N	321.333	1.147	50	20	DDGD	
C[C@](C#N)(CC(=O)O)C(=O)NNC(=O)c1cc2c(s1)CCC2	819849226	YFINAOOYTQAVOY-CQSZACIVSA-N	321.358	1.002	50	20	DDGD	
COc1ccc(CCC(=O)NNc2ncncc2F)cc1OC	817083277	FLWMZXARYSIUCW-UHFFFAOYSA-N	320.324	1.709	50	20	DDGD	
CCOc1ccc(C(C)=NNC(=O)CN(C)C)cc1OCC	727650111	VIOHPUMCXPUXSG-UHFFFAOYSA-N	307.394	1.886	50	20	DDGD	
C[C@H]1C(=NNC(=O)Cc2cc[nH]n2)CCN1Cc1ccccc1	814955018	UPXAHLUBTCSVLI-ZDUSSCGKSA-N	311.389	1.719	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc2c(c1)nnn2C	729302524	JBSGLGIXMBFBRT-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
N#Cc1cccc(C(=O)NN=Cc2ccc(-c3nn[nH]n3)s2)c1	822837808	UGZABAVSHXGEDT-UHFFFAOYSA-N	323.341	1.564	50	20	DDGD	
CN(C)CCn1ccc(NC(=O)NNc2ccnc(Cl)c2)n1	821341346	QYNLENUEBBZZMU-UHFFFAOYSA-N	323.788	1.642	50	20	DDGD	
CCC[C@H](C)CC(=O)NNC(=O)CCNC(=O)OC(C)(C)C	495312525	OABFUACZVBVNSP-NSHDSACASA-N	315.414	1.875	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1)c1ccc(-c2nn[nH]n2)nc1	826447492	HUZNOJATLZGWPI-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCC1	823917261	GLHIMHBXTQLXFE-PWSUYJOCSA-N	315.414	1.024	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2cnn(C)c2)cc1	725909822	YHGQPAHZFQQGIB-UHFFFAOYSA-N	305.363	1.060	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccoc1C	496096072	WXMLLXFBIDVTJQ-ZDUSSCGKSA-N	319.361	1.955	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@H]1C[C@H]2C=C[C@H]1CC2	826984697	OFCXCHNYLXPRIP-QSLWVIQJSA-N	307.394	1.344	50	20	DDGD	
CCO[C@@H]1COCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(O)cc1	491044019	AZVDOIVOKXKRKN-FKZVYCBESA-N	316.357	1.609	50	20	DDGD	
COCCN(C)CCNC(=O)NNc1c(C)cc(C)cc1C	727033584	VJWBPIRJOWAXAU-UHFFFAOYSA-N	308.426	1.816	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cnn(-c2ccccc2Cl)c1	823964902	FXJUSIIZBAKPKR-JTQLQIEISA-N	308.769	1.483	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cccc2c1OCC2	824436764	HIHGZGQYFUUTHC-UHFFFAOYSA-N	305.403	1.531	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)/C=C\c1ccccc1Cl	727351979	UBJWPUPPQPGMFK-FPLPWBNLSA-N	302.783	1.917	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N(C)Cc1cccc(F)c1	827314616	HISFXMKEYVTMMF-GXFFZTMASA-N	309.341	1.423	50	20	DDGD	
COc1ccc(NNC(=O)/C=C/c2ccc3c(c2)OCO3)nc1	492762764	NCIUMDVZSVVRKC-XVNBXDOJSA-N	313.313	1.975	50	20	DDGD	
CC(C)CC[C@@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1	584961932	BZCNLELXXRZJPF-AWEZNQCLSA-N	303.211	1.655	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC(C)(C)[C@H]1c1cccs1	829911304	VDMYBEMVOXQWRW-CYBMUJFWSA-N	309.435	1.934	50	20	DDGD	
C[C@@H]1Oc2cc(F)ccc2[C@H]1NCc1ccc(B(O)O)cc1	585041181	VQLIUZWKDBANRT-QFYYESIMSA-N	301.126	1.117	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CC1CC1)[C@@H](C)NC(=O)OC(C)(C)C	497026469	FCTRSZROBRQSIQ-VHSXEESVSA-N	313.398	1.483	50	20	DDGD	
Cc1cc(C(=O)NN(C)[C@@H](C)CO)nn1-c1ccc(Cl)cc1	823939387	JYJSDHAIAVLSLP-NSHDSACASA-N	322.796	1.792	50	20	DDGD	
O=C(NCC(Cl)Cl)c1cc2c(nc1O)CCC[C@@H]2O	822913775	MCBUKKKUTODBJU-VIFPVBQESA-N	305.161	1.690	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1sc(NC2CC2)nc1C	900382478	DPHJWMRXSBTIQY-UHFFFAOYSA-N	311.411	1.770	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1C[C@@H](c2ccccc2)C[C@@H]1C	827834530	OGSDQZMUHMOFTL-ZFWWWQNUSA-N	303.406	1.668	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2C[C@H]3c4ccccc4CC[C@@H]23)cc1	585049832	LFHZFRJRQROVMW-CEXWTWQISA-N	307.202	1.575	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1	731852665	HPLSSMXJDYJIOC-RKDXNWHRSA-N	318.299	1.848	50	20	DDGD	
COCCN1CCC(NC(=O)[C@@]2(C)C[C@@H]2Br)CC1	906416687	RRKITTKHORCHNF-AAEUAGOBSA-N	319.243	1.387	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1	731852662	HPLSSMXJDYJIOC-DTWKUNHWSA-N	318.299	1.848	50	20	DDGD	
CCCN(C)C[C@@H]1CCN(C(=O)/C(C#N)=C\c2cnn(C)c2)C1	491045678	FQLSYPZNRJFEAO-XTIFCCNPSA-N	315.421	1.517	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(Cl)c(Cl)[nH]1	833778477	FDDPPDDAPGWJCG-QMMMGPOBSA-N	306.149	1.652	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)C[C@@H]1CCC(=O)NC1	836781821	VIVHURYQPLFOOP-LBPRGKRZSA-N	312.373	1.903	50	20	DDGD	
O=S(=O)(CCl)N1CCc2c(ncn2-c2ccccc2)C1	831048851	QJTPKZRPKULVAD-UHFFFAOYSA-N	311.794	1.757	50	20	DDGD	
CCCOc1cccc(CNCc2ccc(B(O)O)cc2F)c1	585017016	HTHISOVJOMRYKB-UHFFFAOYSA-N	317.169	1.584	50	20	DDGD	
O=C(O)[C@@H]1C[C@H]1C(=O)NNc1ccc(OC(F)(F)F)cc1	833179628	UAUNRKAUZXDERV-RKDXNWHRSA-N	304.224	1.749	50	20	DDGD	
Cc1nc(CCC(=O)NNC(=O)NCC(F)(F)F)cs1	733369617	QYSWMNZZJKWEQJ-UHFFFAOYSA-N	310.301	1.277	50	20	DDGD	
CSc1cc(C)ccc1NC(=O)C(=O)NNC(=O)CC1CC1	839511480	BIBFNDUPVNXSBC-UHFFFAOYSA-N	321.402	1.603	50	20	DDGD	
CC(=NNC(=O)c1ccc(-n2cnnn2)cc1)c1cncs1	734745962	SAVKABTUDLCCRX-UHFFFAOYSA-N	313.346	1.273	50	20	DDGD	
C#CC(C)(C)N(C)CC(=O)NNC(=O)Cc1ccccc1C	839581480	TUTUMYGCDHTZJR-UHFFFAOYSA-N	301.390	1.029	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)OCCCCO)c1C	733378045	OZLKBBDOIAFLMC-WJDWOHSUSA-N	320.389	1.974	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NC[C@]1(C)CCOC1	733353073	YESORIRGUHUSLB-HNNXBMFYSA-N	306.366	1.757	50	20	DDGD	
CO[C@H]1CCCC[C@@H]1c1nc(-c2ccc(B(O)O)cc2)no1	585055124	RILWNAVMRQKLSW-STQMWFEESA-N	302.139	1.089	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2CCC(O)CC2)c(F)c1	837207598	YGRVUMIDAFCUDH-UHFFFAOYSA-N	310.325	1.607	50	20	DDGD	
C[C@H](CNS(=O)(=O)CCl)c1nc(-c2ccccc2)no1	830972071	CWVVVVAQUBJDSH-SECBINFHSA-N	315.782	1.956	50	20	DDGD	
CCC[C@@H](c1ccccn1)N(C)C(=O)c1cccc(B(O)O)c1	584942373	UHMMWSJZSUILLQ-INIZCTEOSA-N	312.178	1.375	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C1CCN(C(=O)N2CCCC2)CC1	915616611	FQPSYZCBIRELSB-UHFFFAOYSA-N	324.425	1.108	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C(=O)c1ccc(C)cc1	731491553	SYDOPQATDIIPDE-UHFFFAOYSA-N	312.325	1.648	50	20	DDGD	
O=C(NCc1ccc2c(c1)COC2)NNC(=O)[C@@H]1CCCCO1	836369473	WWUQNCRVZAOZJL-AWEZNQCLSA-N	319.361	1.116	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)NC[C@]1(C)C[C@H]1Br	912827223	KKQGHPNZCBDWIS-LNLATYFQSA-N	303.200	1.287	50	20	DDGD	
CSCCCNC(=S)NNC(=O)NC1CCCCC1	916113321	GTDJWYWYDDSVFM-UHFFFAOYSA-N	304.485	1.751	50	20	DDGD	
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN(C)C[C@@H](C)O	910160443	IIGFIJXBSBCNOT-NEPJUHHUSA-N	317.430	1.270	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	745848488	GWUVSDZPKXQHFA-LBPRGKRZSA-N	324.337	1.210	50	20	DDGD	
O=C(CN1CC[C@@H](c2ccncc2)C1)NNC(=O)c1ccccc1	846907477	HUBZZHLYNFSSBI-MRXNPFEDSA-N	324.384	1.332	50	20	DDGD	
NNC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O	841886257	MBIZMJBARXLXLA-VIFPVBQESA-N	317.176	1.662	50	20	DDGD	
O=C(CCn1cccn1)NNC(=O)c1cc2c(s1)CCC2	914878421	ACDDKJNQCAOVAW-UHFFFAOYSA-N	304.375	1.285	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=C1CN2CCC1CC2	915048907	XBDSTERUYMFKDC-UHFFFAOYSA-N	311.389	1.543	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C(C)(C)Nc1ccccc1	911503721	VWJKJFDEXUVXFZ-YPMHNXCESA-N	305.378	1.450	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1CCN(CC(F)(F)F)CC1	915952230	PFBBCJRRHZUYPO-UHFFFAOYSA-N	322.375	1.849	50	20	DDGD	
NC(=O)c1ccc(C=NNC(=O)CNc2ccccc2F)cc1	915936840	DOGLDPYQHADFGE-UHFFFAOYSA-N	314.320	1.487	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1ccc(CC(=O)O)cc1	915958452	FSYHZZSWOYOBHR-UHFFFAOYSA-N	314.345	1.428	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H](C)C(=O)OC(C)(C)C)n1	840442324	WQLFPKXYCAJNRB-SNVBAGLBSA-N	307.350	1.129	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)[C@]1(O)CCOC1	840400935	ANWRKFKYVYJYMO-LBPRGKRZSA-N	315.167	1.352	50	20	DDGD	
CCOCCNC(=S)NNC(=O)c1cccc2ccccc12	741490419	INSHHQNWWKPMPY-UHFFFAOYSA-N	317.414	1.985	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1ccc(Cl)cc1)n1ccnc1	917371906	KQHMWYQXZBQFPF-SNVBAGLBSA-N	306.753	1.949	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)Cc2[nH]cnc2C)cc1	846376337	XABKLUULINASAA-UHFFFAOYSA-N	302.334	1.119	50	20	DDGD	
Cc1cccc(NNC(=O)C2(n3cnnn3)CCCCC2)c1	846631824	SQMMZNOJSKRHSS-UHFFFAOYSA-N	300.366	1.784	50	20	DDGD	
O=C(NNC(=S)N[C@H]1CCOc2ccccc21)c1ccc[nH]1	741477856	FUSSPTVWHWWHAL-NSHDSACASA-N	316.386	1.647	50	20	DDGD	
O=C(NCc1ccco1)NN=C(CO)c1ccc(F)cc1F	749608455	MHMHLQODWNZUGQ-UHFFFAOYSA-N	309.272	1.754	50	20	DDGD	
CCN[C@H](C)CNC(=O)NNC(=O)Cc1c[nH]c2ccccc12	841987109	XSGLZNQZJUCOQL-LLVKDONJSA-N	317.393	1.039	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@@H]1CCN[C@@H](C)C1)c1ccccc1	841990038	XTOJOHISSIINST-CFVMTHIKSA-N	318.421	1.651	50	20	DDGD	
Cc1cccc(NNC(=O)NCc2cc(N(C)C)ccn2)n1	924672070	DPXZJAOCMTUYSO-UHFFFAOYSA-N	300.366	1.677	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NCCOCCF	852053465	YDRNGSMBUJSOLE-UHFFFAOYSA-N	311.357	1.326	50	20	DDGD	
COCC(=O)N(C)CC(=O)Oc1cc(C)c([N+](=O)[O-])cc1C	759221766	NZFNAPJBGJMXLY-UHFFFAOYSA-N	310.306	1.222	50	20	DDGD	
C[C@]1(CNC(=O)NNc2cccnn2)C[C@@H]1Br	856898734	FSDQOZOXIBINAI-OIBJUYFYSA-N	300.160	1.276	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1ccc(F)cc1N(C)C	759197284	RXKVSMCQDYLMKT-UHFFFAOYSA-N	308.357	1.658	50	20	DDGD	
CC(C)(C(=O)NC[C@@]1(C)C[C@H]1Br)N1CCOCC1	857391060	KUEWVRJGDFXVTD-ZWNOBZJWSA-N	319.243	1.387	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)C1CC(F)(F)C1	753570910	DETAMRMATNILLJ-UHFFFAOYSA-N	308.288	1.449	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccc(Cl)nc2)nn1C	757752373	AXIBNKNPZQMUSD-UHFFFAOYSA-N	308.729	1.243	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)c1ccc(F)cc1O	750530851	XCRGLJXLFPBAJJ-UHFFFAOYSA-N	322.267	1.510	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C[C@H](C)CC(C)C	854281603	YJWLANAVJSMKRM-GFCCVEGCSA-N	303.472	1.933	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(Cc2nc(N)nc(N)n2)C1	852521775	BBYKWJYGEHJOAN-JTQLQIEISA-N	324.505	1.632	50	20	DDGD	
CC1=C(C(=O)NCCCSC#N)[C@H](C)n2ncnc2N1C	854359087	DJGGAZTUDOHBHI-JTQLQIEISA-N	306.395	1.283	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1ccc2occc2c1	852394017	LELFEVMUCRBIMW-GWCFXTLKSA-N	317.345	1.688	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1	756682701	PAWDPYYQCAAYBP-CYBMUJFWSA-N	323.349	1.044	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H](C)C[S@@](C)=O	753150518	FVJMBZFFMPHWEH-LILOVNGRSA-N	305.831	1.236	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@]1(C)CCOC1	754017162	BCVMIXQLVXQPHF-MEBBXXQBSA-N	310.325	1.167	50	20	DDGD	
COCCN(C)NC(=O)Cc1nc(-c2ccccc2)cs1	854414397	YVYDDXGECOVJMK-UHFFFAOYSA-N	305.403	1.962	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NN=Cc2cnc(C)n2C)c1	853264451	DMCKARFWLMPZAS-UHFFFAOYSA-N	300.362	1.874	50	20	DDGD	
C[C@H](NCC(=O)NNC(=O)C(C)(C)C)[C@H](C)c1ccccc1	754180134	GKZFJJQZFSTKMI-STQMWFEESA-N	305.422	1.962	50	20	DDGD	
C[C@]1(CNC(=O)NNc2cc(F)cc(Cl)c2)CCC(=O)N1	854124958	VMOXHHSJMRLOQK-CYBMUJFWSA-N	314.748	1.774	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNc1cccc(C(=O)OC)c1C	853770997	RVSFFDDHTOXVJD-NSHDSACASA-N	309.366	1.833	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc(C)ccc1O	854279523	BXUFTQZETBQRPC-UHFFFAOYSA-N	311.407	1.188	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)CC1CCSCC1	854282859	XPMQDNQHOSAVIE-UHFFFAOYSA-N	319.496	1.394	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)CCc2ccccc2O)c[nH]1	753165594	IFULLTHWNWUGDN-UHFFFAOYSA-N	315.329	1.590	50	20	DDGD	
Cc1conc1NC(=O)C(=O)NC[C@]1(C)C[C@H]1Br	857005004	IQZQHKUCZRRTSV-HQJQHLMTSA-N	316.155	1.211	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1nn(C)c2c1CCCC2)C1CC1	855095286	KJYRSKRAHHMMRG-VIFPVBQESA-N	321.450	1.206	50	20	DDGD	
CCn1nccc1C=NNC(=O)CNc1cccc(OC)c1	753694612	HXKWKVAMGAYPFR-UHFFFAOYSA-N	301.350	1.474	50	20	DDGD	
C[C@]1(C(N)=O)CCN(C(=O)NC[C@@]2(C)C[C@H]2Br)C1	856897528	NPIIRJJHSGVNMN-JFUSQASVSA-N	318.215	1.067	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1cc(-c2ccccn2)no1	751058707	JPCIYBXINHTNPV-UHFFFAOYSA-N	324.296	1.517	50	20	DDGD	
NC(=O)c1cc(NC(=O)NNC(=O)CC2CCCC2)ccc1F	755789866	LGMYTZFGKMYLQI-UHFFFAOYSA-N	322.340	1.658	50	20	DDGD	
Cc1ncc(C(=O)OC[C@H](CBr)C2CC2)c(N)n1	859595675	KSOKMLQRCVIVCN-VIFPVBQESA-N	314.183	1.945	50	20	DDGD	
C[C@H](N)CCNC(=O)NNc1cccc(Br)n1	857110783	XGEPYWYYMDFCMR-ZETCQYMHSA-N	302.176	1.208	50	20	DDGD	
Cc1cc(C)n(CCCC(=O)NN=c2cc[nH]cc2Cl)n1	935413683	JFRJEBUBTTUWHQ-UHFFFAOYSA-N	307.785	1.894	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@@H]1CCCN1C(C)C	934829561	OMKSOWWZBYQMJF-HNNXBMFYSA-N	303.406	1.558	50	20	DDGD	
CC[C@H]1COCC1=NNC(=O)C(=O)NCc1ccc(Cl)cc1	853327585	TUHPLGLCJAKMIA-NSHDSACASA-N	323.780	1.485	50	20	DDGD	
O=C(C[C@H]1CCCC[C@@H]1O)NNCC(F)(F)C(F)(F)F	863099207	CJERQFBTESJGNZ-SFYZADRCSA-N	304.259	1.746	50	20	DDGD	
Cc1ccc(Cl)cc1NC(=O)NNC(=O)[C@H]1CCC(=O)N1	860265038	MQJNVPNJKIBWDR-SECBINFHSA-N	310.741	1.080	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(C(=O)OC)cs1	768546771	LZGPKHSQZJUNMR-UHFFFAOYSA-N	300.340	1.233	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNC(=O)c2cccc(Cl)c2)n1	864475341	YHORAIHVLBBITC-SNVBAGLBSA-N	320.780	1.942	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCSC[C@H]1C(C)(C)C	931597006	PFXOEMHUBQRMTL-NSHDSACASA-N	315.483	1.643	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc2c(c1)NC(=O)CS2)C(F)(F)F	862305120	WJROOXHBLDESBE-ZCFIWIBFSA-N	319.308	1.916	50	20	DDGD	
OB(O)c1ccccc1CNc1cccc(Oc2cnccn2)c1	864019491	GTEVRMFTFPJAEL-UHFFFAOYSA-N	321.145	1.561	50	20	DDGD	
COC1(C(=O)NNC(=O)NCC(F)(F)F)CCCCCC1	935801893	ACFIDNJJUNWUOO-UHFFFAOYSA-N	311.304	1.619	50	20	DDGD	
CSCCCCCCNC(=S)NNC(=O)c1cn[nH]c1	863204575	CFLRDMFKEMVKGY-UHFFFAOYSA-N	315.468	1.442	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@H]1C[C@H]2CCCCN2C1=O	867377518	KEWHKKWXJXOYFF-MNOVXSKESA-N	322.858	1.324	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)Cc2ccc(F)cc2)c1C	864517776	ZDEQVKKNXLVSDI-UHFFFAOYSA-N	304.325	1.354	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(C)c(N2CCOCC2)c1	868241190	QBEOQXXFRBYKHC-UHFFFAOYSA-N	307.350	1.175	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21	934900940	UIEYZYZPRSLHET-RJTWHSRJSA-N	320.414	1.825	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cc(F)c(F)cc1OC	931484950	RNKNGNPUVHIJJB-UHFFFAOYSA-N	311.288	1.930	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C1CCC[C@H](C2CC2)C1	763192511	GJRBWMCPYMTMCB-ZDUSSCGKSA-N	314.389	1.884	50	20	DDGD	
O=C1NCCC[C@@H]1C(=O)NNc1ccccc1OC(F)(F)F	867537326	HKBJINYJKXQYLG-QMMMGPOBSA-N	317.267	1.555	50	20	DDGD	
COc1ccc(NCC(=O)NN=C2CCN3CCC[C@@H]23)cc1	765553429	KSOLDYAVUFNTMD-HNNXBMFYSA-N	302.378	1.447	50	20	DDGD	
Cc1nc2ccnn2c(C)c1C(=O)NNc1ccc(C#N)cc1	761996621	KYQUUFBYGRONRX-UHFFFAOYSA-N	306.329	1.975	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNc1ccc(Br)cc1	866869315	YXCWWRWLLWDLCJ-NSHDSACASA-N	314.183	1.807	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)CC(F)(F)C(F)(F)F	865167583	QVYMDEVWBZHEMO-UHFFFAOYSA-N	311.210	1.359	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)C1(C(=O)NC2CC2)CC1	766679175	RKFBYGAINDNYIU-UHFFFAOYSA-N	317.374	1.193	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1cc2c(C)nn(C)c2s1	872400025	FJZDEXBSUOHKRC-UHFFFAOYSA-N	324.406	1.446	50	20	DDGD	
CCOc1cc(C)ccc1NC(=O)C(=O)NNC(=O)C(C)C	763817153	DAACCGQAQQIARY-UHFFFAOYSA-N	307.350	1.136	50	20	DDGD	
N#CSCCCNC(=O)[C@H]1CCCN(CC(F)(F)F)C1	774296664	ICHUWPJHGJLEDH-JTQLQIEISA-N	309.357	1.981	50	20	DDGD	
CC(CCc1c[nH]c2ccccc12)=NNC(=O)C(=O)NC1CC1	872338092	UVUCXPFDNALXLS-UHFFFAOYSA-N	312.373	1.871	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)N1C[C@H]2COC[C@H]2C1	872871073	FGCKRHYAHPFVCF-GASCZTMLSA-N	317.389	1.328	50	20	DDGD	
Cc1cc(C(=O)NN(C)C[C@@H](C)O)c(C)n1Cc1ccco1	1119645165	PKDHMIUOUIUXQM-GFCCVEGCSA-N	305.378	1.704	50	20	DDGD	
O=C(CN1CCC[C@H]1c1ccccn1)NNC(=O)c1ccccc1	777600374	XXJAMJHASKSBPV-INIZCTEOSA-N	324.384	1.680	50	20	DDGD	
COC1(CO)CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CC1	773250400	YZUVVSMNLZIBOA-UVTDQMKNSA-N	318.348	1.733	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2CC[C@@H]2C(N)=O)cc1C	873762035	NRBYGZFBLSXDMH-NWDGAFQWSA-N	320.418	1.133	50	20	DDGD	
COc1cccc(NNC(=O)c2cnn3c(C)cc(C)nc23)n1	1116512143	IIVYYSIEJDWOPB-UHFFFAOYSA-N	312.333	1.507	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@H]2CC23CCC3)cc1	873263195	UBVUGJBFKKFHSN-LBPRGKRZSA-N	304.350	1.974	50	20	DDGD	
CCNC(=O)N(C)N=Cc1cn(C)nc1-c1ccc(C#N)cc1	777888670	BNGBVPMAVVALPB-UHFFFAOYSA-N	310.361	1.954	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1coc(C2CC2)n1	777231618	YKZKWAWJCWICOB-UHFFFAOYSA-N	319.292	1.531	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1ccn(Cc2ccccc2)n1	771880564	HHISXFVPVWLZSN-UHFFFAOYSA-N	309.329	1.334	50	20	DDGD	
NC(=O)COc1ccccc1C(=O)NNc1cc(Cl)ccn1	778446649	ZIRJVLPQBPUEQC-UHFFFAOYSA-N	320.736	1.356	50	20	DDGD	
COC[C@@H](OC)C(=O)NNC(=S)Nc1cc(C)ccc1F	874947440	KPNGCBVSXXTJHL-LLVKDONJSA-N	315.370	1.113	50	20	DDGD	
Cc1ccc(C(F)(F)C(=O)NNC(=O)c2cnn(C)c2)cc1	779949670	XXSFVGOTNNNOLU-UHFFFAOYSA-N	308.288	1.282	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1NC(=O)CN1CC=C(C#N)CC1	779587693	ROEKBELVYZQWLN-UHFFFAOYSA-N	301.394	1.812	50	20	DDGD	
CCC(CC)n1ccc(C(=O)NNC(=O)c2cccn2C)n1	770255821	GSFGCXNXWXEEPX-UHFFFAOYSA-N	303.366	1.658	50	20	DDGD	
Cc1cc(C(=O)NNc2ccccc2S(C)(=O)=O)cc(O)n1	777419388	JPINRPBIGGSJRU-UHFFFAOYSA-N	321.358	1.256	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNc1ccc(S(C)(=O)=O)cc1	1120622431	QGMCSIFSTHKNLO-CHWSQXEVSA-N	312.391	1.348	50	20	DDGD	
CC(C)[C@@]1(C)C[C@H]1C(=O)NNC(=O)c1ccc2c(c1)OCO2	772850925	QCJIXLJCUPAIMV-MEDUHNTESA-N	304.346	1.859	50	20	DDGD	
CN(C)S(=O)(=O)c1cccc(CN2CC=C(C#N)CC2)c1	779591167	WNXBGWSEOWGNMO-UHFFFAOYSA-N	305.403	1.593	50	20	DDGD	
CC(C)C(=O)NNC(=O)CC[C@@H]1[C@@H](C)Nc2ccnn2[C@@H]1C	1123574184	FZZFEXGKFXJYCI-IJLUTSLNSA-N	307.398	1.458	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)c2cccnn2)CC1(Cl)Cl	883675189	COHKETAHBMXXRP-SNVBAGLBSA-N	318.164	1.005	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](OC)c1cccc(OC)c1	887151925	ORBOLMDVJDZHOD-OAHLLOKOSA-N	304.346	1.334	50	20	DDGD	
N#Cc1cccc(NNC(=O)[C@]2(O)CCc3ccccc3C2)c1	786426531	IJXAGVRJHFLCIF-SFHVURJKSA-N	307.353	1.921	50	20	DDGD	
CC1(NC(=S)NNC(=O)Cc2c[nH]c3ccccc23)CC1	789171574	BABVMDGTJLRHOZ-UHFFFAOYSA-N	302.403	1.758	50	20	DDGD	
CC(=NNC(=O)c1nn(C)c(=O)c2ccccc12)[C@@H]1CCCO1	783808443	YSORHNYHBMFGRB-ZDUSSCGKSA-N	314.345	1.218	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc(CS(C)(=O)=O)cc1	782565872	OIZQJRDOYRPXTM-UHFFFAOYSA-N	313.379	1.040	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@H]1CCOC(C)(C)C1	1120714130	FGFXMYLYMJFHJT-VIFPVBQESA-N	305.469	1.050	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2ncccc2F)c1	780844105	MNFMYBVSAHBGIV-UHFFFAOYSA-N	318.308	1.834	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC[C@@H](C(F)(F)F)C1(C)C	787330367	YVYYFLLXYXCSHA-SECBINFHSA-N	323.359	1.843	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)SCCN(C)Cc1ccccc1	788510203	XAZHXEYLGSRGTJ-CYBMUJFWSA-N	323.462	1.798	50	20	DDGD	
CC(C)(C)[C@@H]1CCN(C(=O)NNC(=O)Cc2cccnc2)C1	784292159	ZAPHIDZFESPPSE-CYBMUJFWSA-N	304.394	1.733	50	20	DDGD	
CCc1ccc(C(=O)NNc2ccccc2S(N)(=O)=O)cc1	788232460	SCRWQMVKPQZBMW-UHFFFAOYSA-N	319.386	1.653	50	20	DDGD	
C[C@@H](NC(=O)NNc1cc(F)c(F)cc1F)c1ncn(C)n1	780707348	RWPWPFZQWWUERS-ZCFIWIBFSA-N	314.271	1.620	50	20	DDGD	
O=C(C[S@@](=O)c1ccc(Cl)cc1)NNC(=O)C1CC1	899938109	VKNOFJGJXNILMY-LJQANCHMSA-N	300.767	1.005	50	20	DDGD	
C=C[C@H](CC)CC(=O)NNC(=O)CNc1ccc(OC)cc1	891957652	HFHGCPONPHRKBW-GFCCVEGCSA-N	305.378	1.857	50	20	DDGD	
Cc1cc(NNC(=O)C[C@@H]2NC(=O)c3ccccc32)nc(C)n1	896459326	OYBATOSYYUMCKK-ZDUSSCGKSA-N	311.345	1.411	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1ccnc(C2CC2)c1	783062618	UKFOOSULQRUDQR-UHFFFAOYSA-N	313.386	1.985	50	20	DDGD	
C[C@@H]1CCC[C@H]1CNC(=O)NNC(=O)COc1ccccc1O	798511446	OGQSBZSQPGAFRT-NEPJUHHUSA-N	321.377	1.538	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C[C@H]1COc2ccccc2O1	899998119	FORBQZBINOTTHK-JTQLQIEISA-N	323.418	1.510	50	20	DDGD	
CCOC(=O)N(C)CCCC(=O)NNc1cccc(C#N)c1	897149614	FNGQEBDAHFWTCN-UHFFFAOYSA-N	304.350	1.870	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)c2c[nH]c(C#N)c2)c1	791277650	RNNUECTZHLSUND-UHFFFAOYSA-N	312.333	1.737	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2cn3c(n2)CCCC3)n1	799719638	SQGWVDLRCVIBMD-UHFFFAOYSA-N	307.745	1.002	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)COC1CCCCC1	790063577	NCWVCUBPZTYUKE-UHFFFAOYSA-N	316.398	1.272	50	20	DDGD	
Cc1ccc(NC(=O)NNc2ccc(-n3ccnc3)nn2)cn1	796655126	JTOKDZGFEWHZJT-UHFFFAOYSA-N	310.321	1.514	50	20	DDGD	
Cc1nn(-c2ccccn2)c(Cl)c1C=NNC(=O)C(C)(C)O	794932627	IWPHPCAZYKQCSV-UHFFFAOYSA-N	321.768	1.450	50	20	DDGD	
CC(=O)c1ccc(NC(=O)C(=O)NNc2ncccc2C)cc1	792376537	VXJKELNJLBUZEM-UHFFFAOYSA-N	312.329	1.674	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(Oc2ccccc2)cn1	799413291	PUUPTTGFLUUBAX-UHFFFAOYSA-N	300.318	1.790	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=C[C@@H]1CCCSC1	794905301	GHMFDVGVGAIXPJ-JTQLQIEISA-N	311.432	1.723	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1	792084296	QDZRKRPJWDRIOP-AWEZNQCLSA-N	313.361	1.371	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cccnc1F	791196787	XRVGQYFUNYUELI-VIFPVBQESA-N	321.283	1.588	50	20	DDGD	
NC(=O)c1ccccc1CCC(=O)NNc1ncncc1Cl	792451906	SLBRMAYPGAUHCJ-UHFFFAOYSA-N	319.752	1.305	50	20	DDGD	
C[C@@H]1CCC[C@H]1CNC(=O)NNC(=O)COCc1ccccc1	798512513	LJPWTGNRWVKJNR-HIFRSBDPSA-N	319.405	1.970	50	20	DDGD	
O=C(CCO)NN=C1C(=O)Nc2ccc(-c3ccccc3)cc21	1319074434	ZGARGGWXYONLHV-UHFFFAOYSA-N	309.325	1.508	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCC1CCOCC1	1318515353	CUGHXKWOJVUWKZ-UHFFFAOYSA-N	321.377	1.456	50	20	DDGD	
Cc1cncc(CNC(=O)NNc2nncc(N)c2Cl)c1	1319759685	CXACAGPSQLKTLM-UHFFFAOYSA-N	307.745	1.242	50	20	DDGD	
C=C[C@H](COC)NC(=O)NNC(=O)Cn1ccc2ccccc21	1324023261	UZPOEQCDBYKYJU-CYBMUJFWSA-N	316.361	1.173	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1C1CCC1)c1n[nH]c2c1CCCC2	1326739757	PBGZGKZEBNQAPI-NWDGAFQWSA-N	302.378	1.486	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)n2ccnc2)cc1C	1322036346	SVGCOBJVIDSSBL-CYBMUJFWSA-N	316.361	1.287	50	20	DDGD	
C[C@@]1(CO)CCCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C1	1322236224	DIIQMTKJUIYMCJ-CRPZLVSXSA-N	300.358	1.920	50	20	DDGD	
CC(C)CN1CCC[C@@H]1C(=O)NNC(=O)c1cccc(F)n1	1337349543	LYOHYFZURRHCHY-GFCCVEGCSA-N	308.357	1.102	50	20	DDGD	
CN(CCCF)c1nnnn1C[C@@]1(C)C[C@@H]1Br	1335162825	YNIWPQHTQZKQCG-WCBMZHEXSA-N	306.183	1.642	50	20	DDGD	
C=C(C)CCC(=O)NNc1ccccc1S(=O)(=O)N(C)C	1337240003	OSOOOSTTZRVACE-UHFFFAOYSA-N	311.407	1.736	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccc(C(=O)O)nc2)C[C@@H]1Br	1347939353	IWAARONNQGBEHQ-CABZTGNLSA-N	313.151	1.683	50	20	DDGD	
C[C@@H](NNC(=O)c1n[nH]cc1Br)C(F)(F)F	1348803609	HCYKQKKDGXSDNG-GSVOUGTGSA-N	301.066	1.357	50	20	DDGD	
CO[C@H](C=NNC(=O)c1ccc(C)c(O)c1)C1CCOCC1	1262037141	MMCXPLZRNJDQAY-OAHLLOKOSA-N	306.362	1.858	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCN1Cc1cccc(F)c1)C1CC1	1520729420	OVWYUMDWHDXEGP-HNNXBMFYSA-N	319.380	1.738	50	20	DDGD	
CCCC[C@@H](SCC(=O)NNC(=O)C(C)(C)C)C(=O)O	1605248914	BXRCAFMPXFZAQK-SECBINFHSA-N	304.412	1.557	50	20	DDGD	
CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)[C@@H]1CC1(F)F	1609060841	IKJKZDOQIPLGJH-JTQLQIEISA-N	306.276	1.628	50	20	DDGD	
CCN1CCCC[C@@H]1CNC(=O)NNc1cccc(C(=O)O)c1	1605478467	DIVGYIIKIRCFMW-CQSZACIVSA-N	320.393	1.885	50	20	DDGD	
O=C(/C=C\c1ccncn1)NNc1ccc(C(=O)O)c(Cl)c1	1608288493	MQHLROGPGRRQRV-RQOWECAXSA-N	318.720	1.985	50	20	DDGD	
C[C@H](Cn1ccnc1)NC(=O)NNc1ccc(C(=O)O)c(F)c1	1609752506	WNHLIUHEFRBNDQ-SECBINFHSA-N	321.312	1.435	50	20	DDGD	
O=C(O)CCCCCNC(=O)NNc1nc2cccnc2s1	1606151789	AYMVSROSPLZUTH-UHFFFAOYSA-N	323.378	1.962	50	20	DDGD	
O=C(NN=C1CCC[C@@H](C(=O)O)C1)c1cc([N+](=O)[O-])ccc1O	1601552660	CRAIYJCZVVACQO-MRVPVSSYSA-N	321.289	1.661	50	20	DDGD	
O=C(O)C1=NO[C@@H](C(=O)NNc2cc(Cl)ccc2F)C1	1605970102	LVZFVEXDBHPQHM-SECBINFHSA-N	301.661	1.152	50	20	DDGD	
O=C(CC(F)(F)C(F)F)NNc1cccc(-c2nn[nH]n2)c1	1606488969	ZCYUUPKOATWNBV-UHFFFAOYSA-N	318.234	1.600	50	20	DDGD	
O=C(O)CCCNC(=S)NNC(=O)c1ccc(Cl)cc1	1601994137	ZUGFIIKYDQLTRA-UHFFFAOYSA-N	315.782	1.314	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CC23CCOCC3)cc1F	1602385680	YSHDZDMGHWTZIX-NSHDSACASA-N	308.309	1.784	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H]2CCC[C@@H](C(=O)O)C2)c1	1600648165	QSJWIAILQBRJAY-VHSXEESVSA-N	310.375	1.709	50	20	DDGD	
Cc1ccc(C(C)C)c2c1C(=NNC(=O)NCC(=O)O)CO2	1600367324	UAVAXFPCOHDVSA-UHFFFAOYSA-N	305.334	1.599	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Cc1ccc(C(=O)O)nc1	1600565630	DRJUIAGTOBSQBX-UHFFFAOYSA-N	313.313	1.092	50	20	DDGD	
O=C(Cc1ccc(C(=O)O)nc1)NNc1ccnc(Cl)c1	1601358857	VFVCTVLBYBYDQQ-UHFFFAOYSA-N	306.709	1.514	50	20	DDGD	
O=C(O)COc1ccc(NC(=O)NNc2ncncc2F)cc1	1608762095	VIOCXCZPSHDMPA-UHFFFAOYSA-N	321.268	1.228	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1F)c1ccnc(C(=O)O)c1	1610700771	DNTHGTKDGCXYNQ-UHFFFAOYSA-N	311.219	1.954	50	20	DDGD	
O=C(NN=Cc1cc2c([nH]1)CCCC2)[C@@H]1CN2CCC[C@H]2CO1	1549905723	ULQGWRBIQXFIBR-HOCLYGCPSA-N	316.405	1.207	50	20	DDGD	
CCc1ccccc1OCC(=O)NNc1ccc(C(=O)O)cn1	1610070695	MSDXWWGYEYEDPE-UHFFFAOYSA-N	315.329	1.864	50	20	DDGD	
C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](F)Cl)[C@@H]1c1cccnc1	1812527939	YOOIRYMCGDUEGG-IACUBPJLSA-N	323.755	1.255	50	20	DDGD	
CC[C@H](NC)C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	1577171932	CCSXZGWZBYQFSM-ONGXEEELSA-N	309.435	1.632	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)[C@H]2CCN2)CCCC1	1579795307	MRRAIIRDHCBMMT-CQSZACIVSA-N	301.390	1.316	50	20	DDGD	
O=C(/C=C\[C@H]1CCCNC1)NNC(=O)c1cccc(Cl)c1	1580494762	VLYHKANMWJXONO-JMEBYUIHSA-N	307.781	1.657	50	20	DDGD	
CC(=O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1841511659	DFURVSSRSPCMGS-JTQLQIEISA-N	318.776	1.339	50	20	DDGD	
CN(C)C1(CNC(=O)NNc2cccc(C(=O)O)c2)CCC1	1598183272	SLKJMBLUERIMKP-UHFFFAOYSA-N	306.366	1.495	50	20	DDGD	
COC(C)(C)CCNC(=O)NNc1ccc(C(=O)O)c(F)c1	1599032655	NJULLHIBCNCYEC-UHFFFAOYSA-N	313.329	1.965	50	20	DDGD	
C[C@@H](CC(=O)O)C(=O)NNC(=O)c1nc2ccccc2s1	1592360425	YIJGUSINVOZURD-ZETCQYMHSA-N	307.331	1.168	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccccc2C(=O)O)nn1	1594373337	SIZDOOKXPQOBIY-UHFFFAOYSA-N	301.306	1.310	50	20	DDGD	
COCCCS(=O)(=O)/C(C#N)=C\c1ccc(C(=O)O)nc1	1777207040	MJCUDKHIBJALGF-XFFZJAGNSA-N	310.331	1.096	50	20	DDGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1c(C(=O)O)cnn1C	1776118228	WUABQTCVDFPUJZ-XFFZJAGNSA-N	310.313	1.972	50	20	DDGD	
COCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl	1796803994	GEHWMICDTQWSLG-NOHGZBONSA-N	320.792	1.586	50	20	DDGD	
COCCC1(C(=O)NNC(=O)c2cccc3ncccc23)CC1	161774178	IWHVRTOTDVIXHM-UHFFFAOYSA-N	313.357	1.813	50	20	DDGD	
CCC(=CC(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12)CC	164270950	ZCZIDCONIMOUQD-UHFFFAOYSA-N	314.345	1.431	50	20	DDGD	
CCN1CCO[C@H](C(=O)NNc2cccc(C(F)(F)F)c2)C1	151482149	BHTQDDWAWUDODD-LBPRGKRZSA-N	317.311	1.869	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C[C@H](C)c2cccc(F)c2)[nH]n1	153196819	JCBBOXJKISPFGM-VIFPVBQESA-N	304.325	1.812	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2CCC[C@H](N(C)C)C2)nc1	157639554	MRUDYTFLNDOAEX-NEPJUHHUSA-N	307.398	1.589	50	20	DDGD	
CC1(C(=O)NNC(=O)Cc2cn3ccccc3n2)CCCCC1	155292473	SPUJHARFAKKENP-UHFFFAOYSA-N	314.389	1.995	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1ccc(F)cc1Cl	157344451	DRNANOUVSAUXEA-UHFFFAOYSA-N	317.748	1.389	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H]1CCC(=O)C[C@H]1C	154548047	YRKJVBRMHRLCDD-PWSUYJOCSA-N	304.346	1.462	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Nc1ccn(C)n1	10585408	CXQVCIZYGYFIGQ-SECBINFHSA-N	321.312	1.179	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)N1CCOCC1	27339599	YXFGXJIUEQNNLN-UHFFFAOYSA-N	313.357	1.455	50	20	DDGD	
O=C(NNc1ncccn1)c1nc(C2CC2)n(-c2ccccc2)n1	102328647	GXARZNULWRDAPZ-UHFFFAOYSA-N	321.344	1.692	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCOc2ccccc21	110761303	RRCVNBSOFIMLRC-LLVKDONJSA-N	300.318	1.045	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)N1CCOCC1)c1cccc(F)c1	172286717	GAFMLBYERMRNQT-LLVKDONJSA-N	309.341	1.392	50	20	DDGD	
COCC[C@H](C)NC(=O)NNC(=O)Cc1c[nH]c2ccccc12	102024770	INUBEUJQIFPEDE-NSHDSACASA-N	318.377	1.466	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ccc(C#N)cc2)c(C)c1	119673079	PBJUQEMPTIWOIU-UHFFFAOYSA-N	324.340	1.957	50	20	DDGD	
CCCc1ncc(C(=O)NNC(=O)CNc2ccccc2)s1	175103983	MCHZMYSPMUHJBN-UHFFFAOYSA-N	318.402	1.969	50	20	DDGD	
CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)NNC(=O)c1ccc[nH]1	118588857	LHTTVRWPACZEHX-AAEUAGOBSA-N	322.409	1.800	50	20	DDGD	
CCn1c(NNC(=O)C2[C@@H]3CCC[C@@H]23)nc2ccccc2c1=O	178094820	VWZYVUDQRYHJEI-GHMZBOCLSA-N	312.373	1.906	50	20	DDGD	
O=C(NNc1cccc(F)c1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O	178920788	WYMMVYMMJWNQJA-UWVGGRQHSA-N	319.258	1.726	50	20	DDGD	
C[C@H]1CC[C@@H](CCC(=O)NNC(=O)CCc2ccccc2O)O1	173158893	WNOVYVOBJIPTNG-JSGCOSHPSA-N	320.389	1.820	50	20	DDGD	
CCN(c1ccc(C(=O)NNC(=O)CN(C)C)cc1)C(C)C	113426590	VRBVBTPMWVYRIQ-UHFFFAOYSA-N	306.410	1.244	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@H]2CC[C@H](OC)C2)cc1	1261507659	GOIWFNPOSVFKKP-KBPBESRZSA-N	321.377	1.596	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)ncn1	172279877	MERVEBRLTZODJQ-YGRLFVJLSA-N	300.318	1.457	50	20	DDGD	
Cc1ccc2c(CC(=O)NNC(=O)c3c[nH]nc3C)coc2c1	110761195	LJLZWPQRDKNTPB-UHFFFAOYSA-N	312.329	1.776	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC(C)(C)c1ccc(C)cc1	66703535	PAQNCZOLUSFAIG-UHFFFAOYSA-N	307.394	1.640	50	20	DDGD	
C[C@@H]1CCC[C@H](CNC(=O)NNC(=O)Cc2ccncc2)C1	176265562	KOPPUDLODSTPSW-OCCSQVGLSA-N	304.394	1.781	50	20	DDGD	
CC(C)c1ccc(S(=O)(=O)NNC(=O)NCC2CC2)cc1	68406247	GJCXKJHEVCSFMZ-UHFFFAOYSA-N	311.407	1.713	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H](C)CN2CCC[C@@H](C)C2)n1	181430241	MCNGAJPJIPYZAJ-CHWSQXEVSA-N	321.425	1.837	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](C)c1cccs1	77164095	CFJYIWZLBYPONV-VIFPVBQESA-N	311.407	1.304	50	20	DDGD	
CCOC1CC(CC(=O)NNc2nc3ccccc3c(=O)[nH]2)C1	188157617	LQRSSAJGSOJBHT-UHFFFAOYSA-N	316.361	1.571	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])Nc1nc2ccccn2n1	121418685	TVCZLLHHRHPZFH-UHFFFAOYSA-N	313.277	1.786	50	20	DDGD	
Cn1/c(=N\NC(=O)NOC[C@H]2CCOC2)sc2ccccc21	188067559	HLXFXGGKUOSNJF-FDZZMLEXSA-N	322.390	1.323	50	20	DDGD	
Cn1c(NNC(=O)c2ccc(F)cc2)nc2ccccc2c1=O	70905496	JBIIPOMWXGRIJQ-UHFFFAOYSA-N	312.304	1.830	50	20	DDGD	
CC[C@@H]1CCN(CC(=O)NNC(=O)c2cccc(Cl)c2)C1	125343599	VPQQTQAOWVSCDH-LLVKDONJSA-N	309.797	1.833	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cccc(N(C)C)c2)c1O	78362236	FRWJYIVGXZQXIX-UHFFFAOYSA-N	313.357	1.841	50	20	DDGD	
O=C(CCCCN1CCOCC1)NNc1ncccc1Cl	192636463	QWAWIBFBUOZXHO-UHFFFAOYSA-N	312.801	1.681	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)Cc1ccccc1C(F)(F)F	190075559	VDBBYFKMULYOGS-UHFFFAOYSA-N	304.268	1.166	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@@H](C)[C@H]1CCOC1	266639372	XTCBZPLAFLJKKX-RYUDHWBXSA-N	306.366	1.756	50	20	DDGD	
CC1(C)C[C@@H](NC(=O)NNC(=O)c2ccccc2F)CCO1	269905742	CLTHKGSWSOLBNB-JTQLQIEISA-N	309.341	1.727	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNC(=O)c2ccccc2C)C1	269416463	GJZNVTNXANBGCF-GFCCVEGCSA-N	303.362	1.015	50	20	DDGD	
CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NNC(=O)c1cc(C)n[nH]1	268871988	UQYZFLHRRGWGRJ-JKOKRWQUSA-N	322.409	1.853	50	20	DDGD	
CN(C)C(=O)c1cccc(C(=O)NNC(=O)NC2CCCC2)c1	264071319	DUZDKHSPTCTNSL-UHFFFAOYSA-N	318.377	1.275	50	20	DDGD	
O=C(CC[C@@H]1CCCCO1)NNC(=O)COc1ccccc1O	264801726	UJRBBMXKGNZDSS-LBPRGKRZSA-N	322.361	1.268	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)CCc2ccc(Cl)cc2)CC1	278519623	BVAHDEIWLRLZSH-UHFFFAOYSA-N	324.812	1.261	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@@H]1CCO[C@@H](C)C1	271816674	BXJCCHMWCKHNJR-NWDGAFQWSA-N	321.377	1.070	50	20	DDGD	
COCC1(C(=O)NNC(=O)NC2CCCCC2)CCOCC1	368239733	HECPYBYFGFXESO-UHFFFAOYSA-N	313.398	1.093	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)n1	274141308	CIQJRRGKNYMZPF-NEPJUHHUSA-N	321.381	1.377	50	20	DDGD	
CN(CCC(=O)O)S(=O)(=O)c1ccc(CCCCl)cc1	270430184	HUEMJWLRLRLYOY-UHFFFAOYSA-N	319.810	1.953	50	20	DDGD	
CN1CCC(=O)Nc2cc(C(=O)NNc3cccnn3)ccc21	364379521	VHJCIPAAWYEYKQ-UHFFFAOYSA-N	312.333	1.012	50	20	DDGD	
CC(C)(C)[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccc[nH]2)CCO1	270709509	BKUDWVKXHIQNKQ-CMPLNLGQSA-N	308.382	1.552	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1	273462358	BSEHDXWMLUMZEK-UHFFFAOYSA-N	311.294	1.578	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccncn1	275290481	OQXIDXWVWOYQMJ-UHFFFAOYSA-N	314.389	1.844	50	20	DDGD	
COc1ccc(NNC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])nc1	275575519	NTUNQSMPSZDOPO-UHFFFAOYSA-N	320.309	1.602	50	20	DDGD	
NC(=O)NC1(C(=O)NNc2cccc(Br)c2)CC1	270975685	AMEWZJCFFIPIIV-UHFFFAOYSA-N	313.155	1.093	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@@H]2CCO[C@@H](C)C2)c1	271256147	LPVJVCHZUOZQHX-QWHCGFSZSA-N	321.377	1.272	50	20	DDGD	
O=C(NNc1ccccc1Br)c1cc2n(n1)CCO2	377985958	NVCKLIYJYMQSEZ-UHFFFAOYSA-N	323.150	1.795	50	20	DDGD	
CC[C@@H](C)[C@@H](NC(=O)NNC(=O)c1cc(C)n[nH]1)C(F)(F)F	278457619	GWCZVRJTQLIACK-HZGVNTEJSA-N	321.303	1.639	50	20	DDGD	
Cc1ccc(C(=O)N(C)C)cc1NC(=O)NNC(=O)C1CCC1	272305610	DZQJNKCCXKYTKG-UHFFFAOYSA-N	318.377	1.650	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)CCCc2cccs2)CC1	278523758	CGQBRMUKJOEZIZ-UHFFFAOYSA-N	310.423	1.059	50	20	DDGD	
C[C@@H]1C[C@@H](CCNC(=O)NNC(=O)Cc2cccnc2)CCO1	273226882	VTAZSNDKEIQQQS-OLZOCXBDSA-N	320.393	1.160	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1nccnc1C1CCC1)C(C)C	287296963	VDHXTGYTBMLSGW-NSHDSACASA-N	321.381	1.568	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H]2C[C@@]23CCOC3)c1	375810180	FUKBROHFTUILPW-SUMWQHHRSA-N	318.373	1.256	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)[C@@H](NC(=O)COC)C(C)C	281708179	HLEYNTJJVMLTQK-HNNXBMFYSA-N	321.421	1.788	50	20	DDGD	
C=C(CBr)CN1CCN(C2CCOCC2)CC1	373379120	VJVGRMCHGFHYDO-UHFFFAOYSA-N	303.244	1.734	50	20	DDGD	
CC(=O)N1CCC[C@@H]1C(=O)NNc1nccnc1C1CCC1	287211501	NUVOSIVXQONXBP-GFCCVEGCSA-N	303.366	1.198	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)CCc1ccc(OC)cc1)C(C)C	281093545	PIRGBQXEJDQKNC-HNNXBMFYSA-N	317.389	1.616	50	20	DDGD	
CC(=O)Nc1nc(C(=O)NNC(=O)OC(C)(C)C)cs1	298446492	YGOCORXZZFDMGT-UHFFFAOYSA-N	300.340	1.271	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)CSC1CC1	294997209	HLZCATUXIUOOLB-UHFFFAOYSA-N	309.391	1.150	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1ccc2cncn2c1	297841269	NYEGUGANVPLNSP-UHFFFAOYSA-N	303.366	1.601	50	20	DDGD	
C[C@@H](CC(=O)c1ccccc1F)C(=O)NNC(=O)CC1CC1	294042669	FBXXZSFNWWLLPE-JTQLQIEISA-N	306.337	1.982	50	20	DDGD	
O=C(NCCCNc1ccccn1)NNc1ncccc1F	805133500	YZKJZUNNISWMBN-UHFFFAOYSA-N	304.329	1.744	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1ccc2c(c1)NC(=O)CO2	299596240	RIFQQTBPRHYJJM-UHFFFAOYSA-N	317.345	1.359	50	20	DDGD	
CC(C)CS(=O)(=O)CCC(=O)NNc1ncc(F)cc1F	296895674	IUYPGSWBHDMAJA-UHFFFAOYSA-N	321.349	1.264	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)Cc2c[nH]c3ccccc23)O1	800315611	YPIDOYIGLRIPNN-GLKRBJQHSA-N	315.373	1.671	50	20	DDGD	
O=C(NCc1ccnc(N2CCCC2)c1)NNc1ccncn1	296491567	FKTSNIQFJXDHEE-UHFFFAOYSA-N	313.365	1.298	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	293851184	HQJPBNDRXZTGGG-JQWIXIFHSA-N	307.350	1.117	50	20	DDGD	
C[C@@H]1CSC[C@@H]1NC(=O)NNc1ccc(-n2ccnc2)nn1	805789997	PLRJTRVJRNUDLZ-ZJUUUORDSA-N	319.394	1.040	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@H]1CCCc2occc21	296693657	YNAOZBBTUPCVRA-AAEUAGOBSA-N	307.350	1.557	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H]2CCCc3c(O)cccc32)O1	293948099	PVTANPZNJXXRIP-XEGUGMAKSA-N	318.373	1.527	50	20	DDGD	
O=C(CCCn1cnc2ccccc21)NNC(=O)CC1CC1	819140966	SWNMTCMOHBLREU-UHFFFAOYSA-N	300.362	1.764	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)CCN2CCCCCC2)on1	814757945	CTCXEVYEDKNPKW-UHFFFAOYSA-N	322.365	1.177	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NN=Cc2cnn(C)c2N)c1	814991701	UOHPFBGAJHMENX-UHFFFAOYSA-N	322.756	1.820	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)c1ccccn1)c1ccc(Cl)cc1	814683800	QLNZMTFMRHBTNB-OAHLLOKOSA-N	319.748	1.404	50	20	DDGD	
CC[C@H](Oc1ccccc1C)C(=O)NNC(=O)c1ccnnc1	817693520	PYDNJVHZVVQDGX-ZDUSSCGKSA-N	314.345	1.404	50	20	DDGD	
Cc1ncc(NC(=O)C(=O)NNc2cccc(Cl)n2)s1	815728420	CBPZGRZRNQGJNE-UHFFFAOYSA-N	311.754	1.582	50	20	DDGD	
C=Cn1cc(C=NNC(=O)CSc2ccccc2O)cn1	814970708	ZSIFBDCGIIAVCO-UHFFFAOYSA-N	302.359	1.932	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1c(O)cccc1Cl	728982340	ZARJFYHFSRIDNM-UHFFFAOYSA-N	305.721	1.444	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1cc2ccccc2c(O)n1	822777880	WBXQJZWWLLHDFL-UHFFFAOYSA-N	316.361	1.613	50	20	DDGD	
CCNC(=O)NNC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C	491834824	NRUZFQJNGYPMOJ-SNVBAGLBSA-N	314.386	1.126	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC[C@@H]1c1ccncc1	827314476	DKRPJCGMNYQFBI-IACUBPJLSA-N	318.377	1.384	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@@H](COc2ccccc2)C1	828754899	GAKLVUNAVDDDRB-CQSZACIVSA-N	319.405	1.191	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(C)o1	496377021	RDHOCHGPBZFALB-CYBMUJFWSA-N	319.361	1.955	50	20	DDGD	
CC(=NNC(=O)Nc1ccccc1C)c1cn(CC(=O)O)nn1	825798568	OTEKEELTKDGDAM-UHFFFAOYSA-N	316.321	1.217	50	20	DDGD	
CCCCC[C@H](O)C(=O)NNC(=O)Cn1ccc2ccccc21	823128869	JOYPFXGFZFMONX-HNNXBMFYSA-N	317.389	1.730	50	20	DDGD	
Cc1nnc([C@H](C)NC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)o1	490725793	KWBSWTHTSZANOU-OUPPCGJOSA-N	324.344	1.681	50	20	DDGD	
CC(=NNC(=O)c1cc(C)[nH]n1)[C@H](C)NC(=O)OC(C)(C)C	495891896	LRRYVDWTWAYONI-VIFPVBQESA-N	309.370	1.737	50	20	DDGD	
O=C(NC[C@@H]1CCCc2ccccc21)c1cccc(B(O)O)c1	584926781	BIUCKPHEOHBSNR-HNNXBMFYSA-N	309.174	1.216	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCCCN2CCCCC2)cn1	491129964	IBPWPYKFZMCXPP-XNTDXEJSSA-N	301.394	1.319	50	20	DDGD	
CCOc1cc2c(cc1NCc1ccc(B(O)O)o1)O[C@H](C)C2	585033929	KJBCPLZSZOTXTB-SNVBAGLBSA-N	317.150	1.294	50	20	DDGD	
COc1cc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)ccc1C	826177355	FKJIDCHPWOMTNB-UHFFFAOYSA-N	324.344	1.941	50	20	DDGD	
CSC[C@H](C)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	494974054	VEQXGRFUOZHAOU-VIFPVBQESA-N	319.427	1.048	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1csc(-c2ccccc2F)n1	823965503	NYRLFIDYYARKEJ-VIFPVBQESA-N	309.366	1.907	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CSC1CC1	822206697	UQQQZYVVTMHURX-SECBINFHSA-N	312.366	1.636	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)[C@H]1CC=CCC1	495208469	RCIHPYPIYGLLQW-NSHDSACASA-N	311.382	1.405	50	20	DDGD	
COC(=O)NN=C1CCC[C@H](N2C(=O)c3ccccc3C2=O)C1	491797351	LCQURZPZUQIQQZ-NSHDSACASA-N	315.329	1.937	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccn2C)c(C(C)C)n1	822231330	LSWKIFZBBAYCFR-UHFFFAOYSA-N	300.362	1.927	50	20	DDGD	
CCOC(=O)[C@H](C)[C@@H](C)NC(=O)/C(C#N)=C\c1cnn(C)c1	491163220	VRBKDTDDJQLWAP-AZMCLKLJSA-N	304.350	1.031	50	20	DDGD	
O=C(CN1CC[C@H](c2ccco2)C1)NNC(=O)c1cccs1	732205101	AOKQSVRVECXJRW-NSHDSACASA-N	319.386	1.592	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cccc(C(=O)O)c1Cl	490689263	ARHTWBACPAGXQI-YFHOEESVSA-N	308.721	1.708	50	20	DDGD	
CC(C)(C(=O)NNC(=O)/C=C\[C@H]1CCOC1)c1ccccc1	493787898	MKNMYVMLKXUVAH-YXVBKTCISA-N	302.374	1.704	50	20	DDGD	
CO[C@@](C)(CNC(=O)NNc1ncccn1)c1ccccc1	838664295	HCPOCBAIGQPZNL-HNNXBMFYSA-N	301.350	1.665	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2C[C@H]2CC(C)C)n1	838753923	BXQJITOPXRUSIH-CHWSQXEVSA-N	307.398	1.265	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNC(=O)c1cc2ccccc2o1	839701190	NCYAOWMSTBTWMK-LLVKDONJSA-N	318.329	1.783	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H](C)Cc1cnn(C)c1	837598433	QOQXYESOFGOLTB-LBPRGKRZSA-N	315.377	1.760	50	20	DDGD	
C[C@@]1(C(=O)NCC(=O)NC2CCCCC2)C[C@@H]1Br	906453524	ZMHDKHQTVGFERL-GXFFZTMASA-N	317.227	1.725	50	20	DDGD	
CC(C)C[C@H](NC(=O)c1cc(B(O)O)ccc1F)C(C)(C)C	584948176	DDIDCRYOQPBBIS-AWEZNQCLSA-N	309.190	1.696	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC=C(c2ccc(O)cc2)CC1	731848189	BFFPLWPNOCKYBC-LBPRGKRZSA-N	317.389	1.427	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1nnc(C(F)F)s1	831362830	NOQGURNSWOSHSX-WHFBIAKZSA-N	321.309	1.053	50	20	DDGD	
CCCC1CCC(=NNC(=O)[C@H]2CCS(=O)(=O)C2)CC1	730575603	FQPWADPEUTZWAJ-KIYNQFGBSA-N	300.424	1.884	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)CCC2CC2)o1	735940250	XPXWDAPLWMUKGR-UHFFFAOYSA-N	305.342	1.611	50	20	DDGD	
O=C(Cn1c(=O)nc(O)c2ccccc21)NNc1ccccc1	732266252	RYWNRQIGCAMLMM-UHFFFAOYSA-N	310.313	1.245	50	20	DDGD	
CC(C)(C)C[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1	585001756	ZSOMZSMETIOXQN-NSHDSACASA-N	307.174	1.404	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCCN(Cc3ccccc3)C2)cc1	585027219	PFKNELSXOQWHSU-IBGZPJMESA-N	324.233	1.121	50	20	DDGD	
CCO[C@@H](CCNCc1ccc(B(O)O)cc1F)C1CCCC1	585025780	CLCMNYOOAOGRFU-KRWDZBQOSA-N	323.217	1.581	50	20	DDGD	
COCCCCNC(=O)NNc1cccc(Br)n1	837548101	WZHQVHRBRMPTHS-UHFFFAOYSA-N	317.187	1.897	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@H](C)C2CCC2)c1	839483369	ZWNXRUBJDLZLLV-LLVKDONJSA-N	305.378	1.691	50	20	DDGD	
O=C1CCCN1Cc1cccc(NCc2ccccc2B(O)O)c1	585012171	OCOFNBCOWLCYAT-UHFFFAOYSA-N	324.189	1.101	50	20	DDGD	
CC[C@@H]1C[C@@H](c2nc(-c3ccc(B(O)O)cc3)no2)CCO1	585050749	JLDVLXDCKMYWGN-WCQYABFASA-N	302.139	1.089	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H]1CC(c2cc(C)ccc2C)=NO1	900386487	XOBBXDRGDDEFIZ-ZDUSSCGKSA-N	304.350	1.147	50	20	DDGD	
O=C1CC(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)=NN1	731892833	WSNWVZYBZNJZNL-UHFFFAOYSA-N	321.551	1.966	50	20	DDGD	
CC(C)c1ccc(NNC(=O)NCC(=O)N2CCOCC2)cc1	838537242	ADVASTLYZJHGGZ-UHFFFAOYSA-N	320.393	1.295	50	20	DDGD	
CC[C@H](NC(=S)NNC(=O)CCN(C)C)c1cccs1	734371520	SRXCELSDLSBPMG-JTQLQIEISA-N	314.480	1.646	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1cnc2n1CCC2	831157485	JDUGGTCRXWBYQQ-UHFFFAOYSA-N	312.255	1.395	50	20	DDGD	
Cc1noc(CCCC(=O)NNc2cnnc3ccccc23)n1	733813171	MXXZPTCOXBFMFX-UHFFFAOYSA-N	312.333	1.787	50	20	DDGD	
CCn1c(NNC(=O)C#CC(C)(C)C)nc2ccccc2c1=O	837326777	LWROWJISTCALPH-UHFFFAOYSA-N	312.373	1.909	50	20	DDGD	
COC1(CNCc2cccc(B(O)O)c2)CCC(F)(F)CC1	585047402	OQNUQBYNCCZPMV-UHFFFAOYSA-N	313.153	1.051	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)CCCN2C(=O)CCC2=O)c1	915638829	LJEFLJQIZZVQAI-UHFFFAOYSA-N	303.362	1.676	50	20	DDGD	
O=C(NNc1ccccc1OC(F)(F)F)[C@@H]1C[C@H]1[N+](=O)[O-]	839729812	AEKRNPQZHAVTSA-HTRCEHHLSA-N	305.212	1.694	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1c(C(F)(F)F)nc2ccccn12	910147132	PIRJVMGZZXJKSQ-QMMMGPOBSA-N	316.283	1.311	50	20	DDGD	
CSc1cc(C(=O)NNC(=O)c2ccc(C)cc2O)ccn1	919750141	SHPDWSGPBAWQQF-UHFFFAOYSA-N	317.370	1.892	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C(C)(C)O)ccc1C(F)(F)F	832749146	DATGSVLXGMUEPF-UHFFFAOYSA-N	320.267	1.246	50	20	DDGD	
Cc1cccc(C=NNC(=O)Cn2nnc(-c3ccccc3)n2)c1	915907583	ZPGZTKUYEQGSEZ-UHFFFAOYSA-N	320.356	1.799	50	20	DDGD	
Cc1ccc(-n2nnc(C(=O)NNC(=O)CC(C)C)c2C)cc1	917699379	SUXKMSIPRSUFRH-UHFFFAOYSA-N	315.377	1.691	50	20	DDGD	
CNC(=O)c1ccc(CNC(=O)NNC(=O)C2CCCC2)cc1	916390756	PYSVWNNJIJAUTQ-UHFFFAOYSA-N	318.377	1.067	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H]1C[C@H]1c1cncn1C	847115320	HCYIVRUOGITDBO-VXGBXAGGSA-N	313.361	1.685	50	20	DDGD	
Cc1ccn2c(=O)c(C(=O)NN(C)c3ccccc3)cnc2c1	915637181	PBYKCEJRXZXCRH-UHFFFAOYSA-N	308.341	1.784	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)N2CCOCC2)C[C@@H]1c1ccccc1	840299159	RTQVMGLEPKNTBL-CJNGLKHVSA-N	303.362	1.253	50	20	DDGD	
CCc1nn(C)c(Cl)c1C=NNC(=O)Cc1ccncc1	747641715	HJMBHGPGTGFYRN-UHFFFAOYSA-N	305.769	1.724	50	20	DDGD	
Cc1nc(O)nc(O)c1CCC(=O)NNc1ccc(Cl)nc1	743818438	XUNXGOOTRAPAJI-UHFFFAOYSA-N	323.740	1.321	50	20	DDGD	
Cc1cnc(Cl)c(C(=O)NNC(=S)NCC2CCC2)c1	912100539	CRJMUUNNKWQOLN-UHFFFAOYSA-N	312.826	1.952	50	20	DDGD	
CO[C@@H](CC(=O)NNc1nc2ccccn2n1)C(F)(F)F	846003160	XTKOCOWSJRZRGC-ZETCQYMHSA-N	303.244	1.140	50	20	DDGD	
CCC(CC)(CO)C(=O)NNC(=O)c1cccc2ncccc12	847453334	CIBWZZUNKINWOW-UHFFFAOYSA-N	315.373	1.795	50	20	DDGD	
CO[C@@]1(C=NNC(=O)c2cc(Br)c[nH]2)CCOC1	841617383	KWVVPGVRPCWQCU-LLVKDONJSA-N	316.155	1.298	50	20	DDGD	
Cc1ccc(CNC(=O)NCC(=O)NNc2ccccc2)cc1	747988239	AHWVDMYUSCJAHP-UHFFFAOYSA-N	312.373	1.938	50	20	DDGD	
O=C(NCCCn1cncn1)NNc1c(F)cc(F)cc1F	914008425	HCVNSBUHRKKYTD-UHFFFAOYSA-N	314.271	1.412	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(O[C@H]2CC(=O)N2)cc1	840726409	MYDDTWIMEXRVDG-CMUBDUJZSA-N	301.302	1.294	50	20	DDGD	
C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NNC(=O)c1cccn1C	747349690	KQMHNZWEFDHIIE-SJKOYZFVSA-N	315.373	1.341	50	20	DDGD	
O=C(Cc1cccc(F)c1)NNC(=O)c1cccc(Cl)n1	749732627	VWGHKMXXOLVCFQ-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2ccc([N+](=O)[O-])c(O)c2)n1	748132968	IQLHVWTUBUKLFR-UHFFFAOYSA-N	320.330	1.758	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccncc2F)c1O	741280181	XBCYKDUAKVHECD-UHFFFAOYSA-N	305.265	1.010	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cnc2ccsc2c1	742069244	GBEMKWFVCZUXFN-UHFFFAOYSA-N	301.331	1.403	50	20	DDGD	
COc1cc(C(C)=NNC(=O)c2c[nH]nc2C)cc(OC)c1O	842528674	YTKRKKZGXJXQRU-UHFFFAOYSA-N	318.333	1.595	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@H]2CCn3ccnc3C2)o1	749222929	OSIHWLDAPFSIJY-JTQLQIEISA-N	314.349	1.572	50	20	DDGD	
CS(=O)(=O)c1ccc(NC(=O)NN=Cc2cccnc2)cc1	741767094	MYJMUILYWOLWRN-UHFFFAOYSA-N	318.358	1.641	50	20	DDGD	
C=C[C@@H](C)ONC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	845638398	GUTLZWZRTRHXAL-LLVKDONJSA-N	320.349	1.078	50	20	DDGD	
COc1cc(C=NNC(=O)NC2CCCC2)cc([N+](=O)[O-])c1O	743532340	WUYXUWIBDJTZDW-UHFFFAOYSA-N	322.321	1.885	50	20	DDGD	
CC(=NNC(=O)N(C)C)c1ccc(OCC(=O)N(C)C)cc1	745605549	SQMLPFBMCNOKHP-UHFFFAOYSA-N	306.366	1.149	50	20	DDGD	
CN1CCCC[C@@H]1C(=O)NNC(=O)c1cc2ccccc2o1	749467774	PRUCKIYSHYZOEL-GFCCVEGCSA-N	301.346	1.678	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)COC2)NC1CCCCC1	747409681	VQUQUVDMKQBMPL-UHFFFAOYSA-N	303.362	1.994	50	20	DDGD	
COC(=O)c1cnc(C(C)=NNC(=O)[C@H]2CCO[C@@H]2C)s1	842550631	ZLEPVDJDIPKFAH-BDAKNGLRSA-N	311.363	1.195	50	20	DDGD	
COC[C@@]1(CNC(=O)NNc2c(F)cccc2F)CCCN1	841998983	XOBZATMEDBBMHF-AWEZNQCLSA-N	314.336	1.360	50	20	DDGD	
O=C(NNc1cnccn1)C1CCN([C@@H]2CCSC2)CC1	847754854	QKDLECIAYYEHCU-GFCCVEGCSA-N	307.423	1.137	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)COCc2ccccc2)[nH]1	857130460	SIEKOPUNYCBYJW-UHFFFAOYSA-N	302.334	1.004	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNC(=O)Cn1cnc2ccccc21	858132134	SWUYPGCBHHYJDE-CQSZACIVSA-N	318.377	1.389	50	20	DDGD	
O=C(NN=Cc1ccc(O[C@H]2CCOC2)cc1)N1CCOCC1	853296631	ICENGCLRIQBYRE-HNNXBMFYSA-N	319.361	1.230	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)c1cccc(F)n1)C1CCCC1	852660406	ZJJYNLVIGBWXKK-GFCCVEGCSA-N	324.356	1.370	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)CC(F)(F)F)c(F)c1	758864393	CILRMYOBGBEWFG-UHFFFAOYSA-N	323.246	1.617	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)OC[C@H](CBr)C1CC1	859617714	ZOCRXVXRIAQHOA-CBAPKCEASA-N	308.172	1.695	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCC1(S(C)(=O)=O)CC1	854032597	YORBINFPCUMAKO-UHFFFAOYSA-N	315.370	1.337	50	20	DDGD	
N#CSCCCNC(=O)Cc1ccc(-n2cnnc2)cc1	854366847	IJJMBVWZZHAFSU-UHFFFAOYSA-N	301.375	1.530	50	20	DDGD	
Cc1ccn(CC(=O)NC[C@]2(C)C[C@@H]2Br)c(=O)c1	857392154	YZPQZENQTXZYEY-GWCFXTLKSA-N	313.195	1.446	50	20	DDGD	
CCCc1cccc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c1	853389756	XCPMTGCMKYWQSV-SJORKVTESA-N	315.417	1.952	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C	856379447	FJYFHPRONMNTCA-JPQYHBGPSA-N	311.382	1.802	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1Br	857733677	MJFVQDMGFAAKTL-XCBNKYQSSA-N	302.128	1.826	50	20	DDGD	
O=C(NNC(=O)c1cncnc1C1CC1)OCC(F)(F)F	856025798	ACCWYNNWZYRHLL-UHFFFAOYSA-N	304.228	1.287	50	20	DDGD	
CCn1cc(CNC(=O)NC[C@@]2(C)C[C@H]2Br)nn1	856869919	OLNFGCBTMGJUQT-MWLCHTKSSA-N	316.203	1.271	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)N[C@H]1CCn2ccnc2C1	922078895	ZCGWCLRHOXOYMS-VIFPVBQESA-N	307.304	1.802	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1	854922424	JXMIEPXKNPJKJZ-UHFFFAOYSA-N	323.418	1.723	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H]1CC(=O)N(C2CC2)C1	751168886	NGCHHMRTZJXBMJ-VIFPVBQESA-N	320.301	1.520	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1ccn(-c2ccccc2)n1	755480608	FRKUBCHEYVFRSH-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
CC(C)Cc1c[nH]c(C(=O)NNC(=O)c2cccc(F)n2)c1	856427895	JEWYWFCTYKETOA-UHFFFAOYSA-N	304.325	1.822	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)COc1ccccc1C#N)C1CC1	920053891	KBYMYEYEVKIVHI-NSHDSACASA-N	316.361	1.314	50	20	DDGD	
C[C@H]1c2cc(F)cc(F)c2CCN1CC(=O)NNC(=O)C1CC1	758751265	ISXFOVBOEAUZJD-VIFPVBQESA-N	323.343	1.441	50	20	DDGD	
CCC1(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)CCOCC1	853389681	SIBOVGMGHJFLIT-KGLIPLIRSA-N	309.410	1.158	50	20	DDGD	
CNC[C@H](C)NC(=O)NNC(=O)Nc1ccc(C)cc1Cl	851682491	UBFFIXGYTRAPNI-VIFPVBQESA-N	313.789	1.592	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1cc(F)ccc1F	758386861	CNNKMKOWSBFUOG-UHFFFAOYSA-N	318.283	1.839	50	20	DDGD	
CC[C@@H](C)CC[C@H](O)CC(=O)NNC(=S)NCC1CCC1	855089944	MSRVEWKZTSTVEN-YPMHNXCESA-N	315.483	1.859	50	20	DDGD	
C#CC[C@@H](NC(=O)NNC(=O)Cc1cccnc1)c1ccccc1	757022340	FNLUDMDTBBBGKH-MRXNPFEDSA-N	322.368	1.719	50	20	DDGD	
O=C(NCC1CC=CC1)NNC(=O)Nc1ccc2c(c1)OCO2	858720068	ARANKXUKSLZBQG-UHFFFAOYSA-N	318.333	1.717	50	20	DDGD	
CCOc1nc(C(=O)NNC(=O)c2ccc(C)cc2O)co1	753983595	XHOCCWZWZPDSMB-UHFFFAOYSA-N	305.290	1.162	50	20	DDGD	
Cc1cc(C(=O)NN=c2cc[nH]cc2Cl)n2nc(C)cc2n1	756809623	UWQWRZSGWZWOGP-UHFFFAOYSA-N	316.752	1.573	50	20	DDGD	
COC(=O)[C@H](C)Oc1ccc(/C=C(/C#N)S(C)(=O)=O)cc1	758425678	GDDUCJMWLPAJKU-AAIQCTMTSA-N	309.343	1.536	50	20	DDGD	
C[C@@H](C(=O)NNc1nc(-c2ccccc2)no1)[C@@H]1CCC(=O)N1	859316177	ODHVCFCRIIKCFZ-KOLCDFICSA-N	315.333	1.094	50	20	DDGD	
COC(=O)c1coc(/C=C/C(=O)NN[C@H](C)C(F)(F)F)c1	869377350	XFUOVUXURPQXJW-KGGZQZJCSA-N	306.240	1.651	50	20	DDGD	
CCNC(=O)N(C)N=Cc1ccccc1N1CCO[C@@H](C)C1	769591325	GMQYOXCEGOTXDO-ZDUSSCGKSA-N	304.394	1.907	50	20	DDGD	
C[C@H]1CC(=NNC(=O)[C@H]2CCC(=O)N2)c2c(O)ccc(F)c21	863145110	JQJVONFHHNTILU-IONNQARKSA-N	305.309	1.137	50	20	DDGD	
Cn1nccc1C=NNC(=O)c1cc(-c2cccs2)[nH]n1	764787346	MMADXGDWBGJYBW-UHFFFAOYSA-N	300.347	1.636	50	20	DDGD	
CCOc1ccc(C(=O)NN=C2CCS(=O)CC2)cc1OC	761805518	SNBKHITZEJJKBU-UHFFFAOYSA-N	324.402	1.722	50	20	DDGD	
CC(C)N1CCC[C@@H]1C(=O)NNc1cc(C#N)cc(Cl)n1	935183928	RTFATYAUUIOHHU-LLVKDONJSA-N	307.785	1.923	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C1CCCc2ccc(Cl)cc21	863187653	OSKKNBLRGPRNKV-UHFFFAOYSA-N	314.794	1.541	50	20	DDGD	
CC1(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)CC1	761445720	XXGKQDYZVIJSGI-UHFFFAOYSA-N	310.737	1.444	50	20	DDGD	
C[C@H](NNC(=O)[C@H]1CCCN1c1ncccn1)C(F)(F)F	862307840	REFWBZSCOMGVJN-DTWKUNHWSA-N	303.288	1.017	50	20	DDGD	
C[C@H]1CN(C[C@@H](C)C(=O)NN=C2CC(C(F)F)C2)C[C@@H](C)O1	766016370	UMUWCLRJJGKZBG-YIBTVLSRSA-N	317.380	1.879	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1snnc1C1CC1	863099019	IBEOVKRDLSSGJC-UHFFFAOYSA-N	316.255	1.848	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1nsc2ccc(C)cc12	869903667	GAXKEZCHUIAXBY-UHFFFAOYSA-N	323.374	1.029	50	20	DDGD	
CCn1nncc1CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	862361021	JUCFTWSJQKFPDP-WLRTZDKTSA-N	323.360	1.040	50	20	DDGD	
C[C@H](NNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C(F)(F)F	862316374	OJOPHOPORKRFMJ-YFKPBYRVSA-N	321.211	1.509	50	20	DDGD	
CC(=O)Nc1c(C)ccc(NC(=O)NNC(=O)C2CC2)c1C	764629959	VZDJTIRBRSZXNG-UHFFFAOYSA-N	304.350	1.825	50	20	DDGD	
CN(NC(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@H]21)C(N)=O	867127162	LNGXLCDZNDUXFY-GMTAPVOTSA-N	324.178	1.377	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](O)[C@@H](C)c1ccccc1F	868894811	VHUQXSQFTGZOPB-JOYOIKCWSA-N	320.324	1.232	50	20	DDGD	
CC(C)S(=O)(=O)CC(=O)NNc1cccc(F)c1Cl	862506005	IJTOENYKXPCYLM-UHFFFAOYSA-N	308.762	1.745	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NC[C@@]1(C)C[C@@H]1Br)C(C)C	862259153	ZGSXCZDAYIPOEO-HOSYDEDBSA-N	305.216	1.437	50	20	DDGD	
CCNc1ncc(C(=O)NNC(=S)N[C@@H](C)C2CC2)s1	862150829	ZBJNZNDLIJOTMF-ZETCQYMHSA-N	313.452	1.482	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)n1	862517320	MDEPHDMAVWTLJQ-JKSUJKDBSA-N	303.362	1.955	50	20	DDGD	
NC(=S)c1ccc(C(=O)NNc2ccccc2[N+](=O)[O-])cc1	768570567	CURMTKKOXABRJL-UHFFFAOYSA-N	316.342	1.986	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2cccc(C(C)C)n2)n[nH]1	869015034	ZZWORFNIQMJZLC-UHFFFAOYSA-N	301.350	1.240	50	20	DDGD	
O=C(NNC(=O)[C@]1(O)CCSC1)C12CC3CC(CC(C3)C1)C2	765528440	HVVWLPVAVCNXJQ-JHDFDTNZSA-N	324.446	1.218	50	20	DDGD	
Cc1cccc(CO[C@H](C)C(=O)NNC(=O)c2c[nH]nc2C)c1	865567719	BDZPJBRFCZCKCE-GFCCVEGCSA-N	316.361	1.393	50	20	DDGD	
CC(C)COc1cccc(NC(=O)NNC(=O)c2cn[nH]c2)c1	860475715	QMNDMJABCIUZMV-UHFFFAOYSA-N	317.349	1.911	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1CNC(=O)NNC(=O)C1CCNCC1	1118029475	YQCFZHKTBOXYRS-GXTWGEPZSA-N	310.442	1.533	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]32)cc[nH]1	875434700	JKDMEDPDAGRVGI-AGIUHOORSA-N	324.475	1.818	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H](C)n2cncn2)cc1C	873763219	RBTPCCXEECQMNT-NSHDSACASA-N	318.406	1.474	50	20	DDGD	
O=C(CS[C@H]1CCCOC1)NNC(=O)c1cccs1	779827767	HLUKDTZMLSNVSV-VIFPVBQESA-N	300.405	1.421	50	20	DDGD	
COC1(C(=O)NNC(=O)c2cccc(C#N)c2)CCCCC1	772851741	HZKMEMJNYZJFGK-UHFFFAOYSA-N	301.346	1.669	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)NNC(=O)c1cnccn1)C(F)(F)F	772539181	WXAWVTRMZPLAHG-CBAPKCEASA-N	319.287	1.398	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)cc1	772047957	SLUIUJOUPLHARN-CQSZACIVSA-N	306.362	1.804	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(Cl)s1	771847625	ULAPWYOYAXHFCS-ZCFIWIBFSA-N	304.755	1.504	50	20	DDGD	
CCOc1cccc(F)c1C=NNC(=O)Cc1cc(C)[nH]n1	872340073	LFSBIYCYJROJOV-UHFFFAOYSA-N	304.325	1.949	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H]2NC(=O)O[C@H]2C)c1	873757453	ZPKBPOQQLQPCEZ-ONGXEEELSA-N	322.390	1.118	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1c(C)nc2ccccn12	874111199	DYGDFJUPHSFYFW-UHFFFAOYSA-N	314.374	1.754	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CCn2ccnc2C1	777412118	NEFYALWJLGNRDP-GFCCVEGCSA-N	313.361	1.151	50	20	DDGD	
O=C(COc1ccc(Cl)cc1)NNC(=O)[C@@H]1CCCCO1	772045884	HUERUDCAODXCEU-LBPRGKRZSA-N	312.753	1.435	50	20	DDGD	
CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NCCCSC#N	773570272	BUXHOOLXHBZLOX-SNVBAGLBSA-N	315.464	1.655	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc2c(c1)C(C)(C)CO2	887149110	JOZADBULAGEOJU-UHFFFAOYSA-N	300.358	1.921	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1cccc(Br)c1	887143293	SSVOGBXTOUTPQB-UHFFFAOYSA-N	323.190	1.943	50	20	DDGD	
Cc1cc(C(=O)NNc2ccnc(Br)c2)nn1C	771538021	TXRDDFGLPPECDH-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
CCCCCCNC(=O)NNc1nc(O)c2cnn(C)c2n1	770334614	CTEBHOXNCVRTDG-UHFFFAOYSA-N	307.358	1.275	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@H](CC)c1ccc(OC)cc1	774814136	JUXGUZKXQBHJRK-BXUZGUMPSA-N	307.394	1.682	50	20	DDGD	
CC1(C)COc2ccc(C(=O)NNC(=O)C3CCOCC3)cc21	883070145	HMUVWIHPAFUKDR-UHFFFAOYSA-N	318.373	1.544	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(Cl)c(Cl)n1C	887140542	JKLGPDLYFJDHNJ-UHFFFAOYSA-N	302.161	1.896	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNC(=O)c2cccnn2)cc1	882058298	NNXSEFINIFFKTL-UHFFFAOYSA-N	314.345	1.224	50	20	DDGD	
C[C@H]1CCCN(C[C@@H](C)NS(=O)(=O)CBr)C1	788914326	VWZFLDQRDGBUCN-VHSXEESVSA-N	313.261	1.379	50	20	DDGD	
Cc1ccccc1[C@@H]1C[C@H]1NC(=O)NNC(=O)c1cccnn1	883708871	SHQVJMXSJMWHKD-GXTWGEPZSA-N	311.345	1.285	50	20	DDGD	
COC1(C(=O)NNC(=O)c2ccccc2Cl)CCOCC1	785668087	BTNCWVZIMRTJQA-UHFFFAOYSA-N	312.753	1.297	50	20	DDGD	
COc1cc(C(=O)NNC(=O)NC2CCCCC2)ccc1O	785401722	VCVYZPNIDWSUDQ-UHFFFAOYSA-N	307.350	1.678	50	20	DDGD	
CC1CCN([C@@H](C)CNC(=O)NNc2ccc(C#N)cn2)CC1	887986127	OMUQHFQINFPKCA-ZDUSSCGKSA-N	316.409	1.700	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cc2csc(C)n2)c1	780796290	RGHIZQQQJLGQPR-UHFFFAOYSA-N	305.359	1.924	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=S)NC(C)(C)C)c1Cl	899996586	NRKCVXCVNATJKR-UHFFFAOYSA-N	317.846	1.772	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)CCc2ccc(O)nc2)c1	787485616	PDKAQOOULAYZCF-UHFFFAOYSA-N	317.736	1.783	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cccc(C(=O)N(C)C)c1	899338333	JGYANLANANQLLS-UVTDQMKNSA-N	301.346	1.058	50	20	DDGD	
COc1ccnc(NNC(=O)c2nc3cccnc3s2)n1	788280426	LLXHMNOWINVMSR-UHFFFAOYSA-N	302.319	1.247	50	20	DDGD	
CN(NC(=O)c1ccc(C(=O)c2cccc(O)c2)cc1)C(N)=O	780976981	CGRLJYUFIRWISS-UHFFFAOYSA-N	313.313	1.279	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)c2cccc(Cl)c2)cnn1C	794182164	ICFYZYDWKZZJBB-UHFFFAOYSA-N	306.753	1.386	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCc2cn(C)cn2)cc(C#N)n1C	890116977	JJBWFKLTUDGMBW-PQMHYQBVSA-N	308.345	1.162	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)NCC(F)(F)F	798315368	SQGZYSKLEZJNHH-BDAKNGLRSA-N	311.304	1.474	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1cc2ccccc2n(C)c1=O	793672251	HOWJHLSDFBONDA-KAMYIIQDSA-N	311.341	1.599	50	20	DDGD	
O=C(COc1ccc(Cl)cc1Cl)N1CC[C@@H](B(O)O)C1	585071152	NPRIQZGYSNLVDL-MRVPVSSYSA-N	317.965	1.448	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1ccccc1-n1ccnn1	794907802	BCGJDVKVTWYIAZ-UHFFFAOYSA-N	309.333	1.155	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CN1[C@@H](C)CC[C@H]1C	792797591	IAQCESZJTWCTGO-BETUJISGSA-N	319.405	1.258	50	20	DDGD	
Cn1nc([C@H]2CCCOC2)cc1NC(=O)NNc1ncccn1	790545455	HCDBZXBBYICWEL-JTQLQIEISA-N	317.353	1.253	50	20	DDGD	
CSCC[C@H](C)NC(=O)NNc1nncc(N)c1Cl	1319206532	HIACXSZEZPHVRJ-LURJTMIESA-N	304.807	1.480	50	20	DDGD	
CCOc1cccc(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	1329236058	JXQPTXOCYMUVAS-BXUZGUMPSA-N	321.377	1.341	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc2c(c1)CC(C)(C)O2	1326653050	HSZZVGIVANTKIN-UHFFFAOYSA-N	307.419	1.917	50	20	DDGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NNC(=O)c1ccc(OC)cc1	1327841855	GKCCJKRYOSEISG-HZMBPMFUSA-N	321.377	1.007	50	20	DDGD	
COc1ccc(COCCCC(=O)NNc2ccn(C)n2)cc1	1322274537	ZRDBKNJHPSUVRR-UHFFFAOYSA-N	318.377	1.869	50	20	DDGD	
O=C(NN=Cc1cnc([C@H]2CCCO2)s1)C1CCOCC1	1330904372	PXEJDCFPUBPZEX-GFCCVEGCSA-N	309.391	1.871	50	20	DDGD	
O=C(C[C@H]1CCS(=O)(=O)C1)NNc1ccc(Cl)cn1	1330967166	ZCHXJYYRAJDHRM-MRVPVSSYSA-N	303.771	1.003	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1CCCC[C@H]1N(C)C	1251775568	UJSDCLHCYMTTNN-LSDHHAIUSA-N	318.421	1.812	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cnc(C3CC3)s2)c1Cl	1333507209	FOBFNTDAPIVKPC-UHFFFAOYSA-N	310.770	1.803	50	20	DDGD	
COc1cc(C(=O)NNc2nc(-c3ccccc3)no2)ccn1	1251768132	QJIAPCNNHVAKFW-UHFFFAOYSA-N	311.301	1.897	50	20	DDGD	
C[C@]1(COC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)C[C@H]1Br	1263536694	CTWJQUMLSGKBGF-DCJFZGGZSA-N	318.211	1.995	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)N[C@@H]1CCc2c(F)cccc21	1353517671	JFTPPTDPXWDTAL-CQSZACIVSA-N	320.368	1.143	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1F)c1cc(F)ccc1Br	1519346100	APQAIFSRHGQMHK-VXNVDRBHSA-N	319.105	1.707	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1	1290177224	JYZQQLDZMQIUQV-NWDGAFQWSA-N	322.390	1.602	50	20	DDGD	
O=C(NNC(=O)C12CCC(C(=O)O)(CC1)C2)c1ccccc1O	1601553776	URBMBDCWJIZLHA-UHFFFAOYSA-N	318.329	1.188	50	20	DDGD	
Cc1noc(CCCC(=O)NNc2cccc(F)c2C(=O)O)n1	1600812088	UCTDIOZINGBAFZ-UHFFFAOYSA-N	322.296	1.681	50	20	DDGD	
O=C(O)[C@@H](C(=O)NNc1nc2ccccc2[nH]c1=S)C1CC1	1605901638	UHTHYUGSORILMB-SNVBAGLBSA-N	318.358	1.846	50	20	DDGD	
Cc1nnc(NC(=O)NNc2ccc(CC(=O)O)cc2)s1	1608019613	ZFERDVVFLFAICM-UHFFFAOYSA-N	307.335	1.622	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1ccc(C(=O)O)o1	1601513282	NTORLTRMNVOOAQ-UHFFFAOYSA-N	323.330	1.226	50	20	DDGD	
CC[C@H](C(=O)O)C(=O)NNC(=O)c1ccc2ccccc2c1	1604879089	ZVIFAPXWVGHMKO-ZDUSSCGKSA-N	300.314	1.712	50	20	DDGD	
O=C(Cc1cccc(O)c1)NNc1cccc(F)c1C(=O)O	1601367381	YXYUZHIWLDSODW-UHFFFAOYSA-N	304.277	1.915	50	20	DDGD	
Cc1ccc(NNC(=O)c2cnn3ccncc23)cc1C(=O)O	1607809183	JEJKFGYRDLGCLL-UHFFFAOYSA-N	311.301	1.493	50	20	DDGD	
O=C(NNc1cccc(F)c1C(=O)O)c1n[nH]c2c1CCCC2	1601560371	CKBZYFFRAWDATO-UHFFFAOYSA-N	318.308	1.883	50	20	DDGD	
O=C(COc1ccc(-c2nn[nH]n2)cc1)NN=C[C@H]1CC1(F)F	1606568340	CHFRFFHQUGPUDH-SECBINFHSA-N	322.275	1.003	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccccc2F)cc1C(=O)O	1600341147	PHYLJCZRKDUQGN-UHFFFAOYSA-N	316.288	1.907	50	20	DDGD	
Cc1cc(C(=O)NN=C[C@@H]2CCCO[C@@H]2c2cnn(C)c2)n[nH]1	1552448417	DEGZDYOFTVSAPN-FZMZJTMJSA-N	316.365	1.335	50	20	DDGD	
CC(C)(C)[C@H](N)C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1	1573457938	MMYXOTRTSHVBIU-LLVKDONJSA-N	321.406	1.273	50	20	DDGD	
C[C@@H](CC(=O)O)NC(=O)NNC(=O)c1cccc2ccccc12	1589002613	WLOGIJDNOZIIFL-JTQLQIEISA-N	315.329	1.647	50	20	DDGD	
NCCCCCC(=O)NNC(=O)Nc1ccc2c(c1)CCO2	1580292608	FZVFVBIRTZFKIN-UHFFFAOYSA-N	306.366	1.293	50	20	DDGD	
C/C=C/C(=O)N1CCCC12CN(C(=O)[C@@H](C)Br)C2	1845963876	WCTAJBVDYJJUEW-RXNUUUNCSA-N	315.211	1.549	50	20	DDGD	
Cc1ccc(NNC(=O)c2cnccc2-c2nn[nH]n2)cc1F	1581209786	VFPLYXASHKNZRG-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
CC(C)OC(=O)NN=Cc1c(F)cc(-c2nn[nH]n2)cc1F	1589736238	UCSIMYKWCOMYOC-UHFFFAOYSA-N	310.264	1.613	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)CC2(O)CCC2)C1	1846732199	JLJWLUKVQVTPBW-LLVKDONJSA-N	318.776	1.029	50	20	DDGD	
Cc1c(NC(=O)NN(C)c2ccccn2)cccc1-c1nn[nH]n1	1591827754	WIPQCNHHRIOLGL-UHFFFAOYSA-N	324.348	1.743	50	20	DDGD	
C[C@]1(C(=O)N2CCCC23CN(C(=O)[C@H](F)Cl)C3)CC1(F)F	1846983823	FOVJKRGVYHPRHB-GZMMTYOYSA-N	324.730	1.770	50	20	DDGD	
CC[C@H](CC(F)F)C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1590426006	SZPOYLHMIKRNOY-SSDOTTSWSA-N	311.296	1.386	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2ccc(C(=O)O)cc2)c1	1594435662	HGXYBVGMVLOPIW-UHFFFAOYSA-N	304.327	1.830	50	20	DDGD	
CNc1ncccc1C(=O)NNc1ccc(F)c(C(=O)O)c1	1598681578	JKPBCODQUJPGEJ-UHFFFAOYSA-N	304.281	1.718	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)Nc1cc(C(=O)O)ccn1	1594780470	RLIWOKUPEIQNNL-UHFFFAOYSA-N	307.697	1.977	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCc1ccc(F)cc1-c1nn[nH]n1	1592662992	RBKOMMBRRCQOBY-WZUFQYTHSA-N	313.292	1.909	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)C1(Br)CC1	1595261821	JQXHZYHMFINAPR-UHFFFAOYSA-N	300.112	1.150	50	20	DDGD	
CC[C@@H](Oc1ccccc1C)C(=O)NNC(=O)c1cc(C)n[nH]1	151198022	VDTCRDGJNDVONN-CYBMUJFWSA-N	316.361	1.645	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)[nH]n1	153067521	OHYSYZTVZXKIPR-NEPJUHHUSA-N	302.309	1.422	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)[C@H]2CCCCO2)cc1	153521789	ZJWPEMYKBVARDQ-CYBMUJFWSA-N	322.434	1.639	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)N[C@@H]1C[C@H]2CC[C@@H]1O2	154871825	LHUSHVXYNOEVIP-WZRBSPASSA-N	315.329	1.697	50	20	DDGD	
CN1CCC[C@@H]2CN(S(=O)(=O)CBr)CC[C@@H]21	127557289	ZBBWGQSODHPDHM-ZJUUUORDSA-N	311.245	1.085	50	20	DDGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CCn2ccnc21	882487853	JTDGZJMCRFDODZ-UHFFFAOYSA-N	311.794	1.873	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)CCl)CCO1	1324706474	JZZOZCHMGAVBQJ-ZJUUUORDSA-N	306.790	1.366	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)Cc1cccs1	7810184	DZACDZDRGGXJSY-UHFFFAOYSA-N	314.370	1.708	50	20	DDGD	
CC(C)COc1cccc(C(=O)NNC(=O)C(=O)NC(C)C)c1	8391472	OANWBOWANBIFPX-UHFFFAOYSA-N	321.377	1.007	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccccc2C)cn1	10262066	RXYMMBCSDGXVQG-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
N#Cc1ccsc1C(=O)NNC(=O)c1ccc2c(c1)OCO2	52033715	ILISQNQXFAXHHF-UHFFFAOYSA-N	315.310	1.423	50	20	DDGD	
O=C(COCCc1ccccc1)NNC(=O)Cc1cccnc1	103423382	YZXVYAHKVQMRLG-UHFFFAOYSA-N	313.357	1.031	50	20	DDGD	
CCN(CCNC(=O)NNC(=O)CCc1ccccc1)C1CC1	102065061	WHGHFOMVKFLOEV-UHFFFAOYSA-N	318.421	1.434	50	20	DDGD	
COc1ncnc(OC)c1C(=O)NNc1ccc(F)cc1C	179011992	OMDRMNVYEXRTHC-UHFFFAOYSA-N	306.297	1.698	50	20	DDGD	
CNC(=O)NNC(=O)c1ccccc1C(=O)c1ccc(C)cc1	56370511	BFHNAIURQVPURT-UHFFFAOYSA-N	311.341	1.800	50	20	DDGD	
CC(C)(C)n1ncc2c(=O)[nH]c(NNC(=O)CCC3CC3)nc21	115380160	XLSKYHMCITYQNL-UHFFFAOYSA-N	318.381	1.508	50	20	DDGD	
C[C@H](Oc1ccccc1)C(=O)NNC(=S)N[C@H](C)C1CC1	175553670	AIUXCWCHUPSEEM-MNOVXSKESA-N	307.419	1.748	50	20	DDGD	
COCCCOc1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1	175059552	SAVGBYMHUCJRTE-UHFFFAOYSA-N	317.345	1.505	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1nnc(C2CC2)n1CC	110103781	LJHUNJFKVACULF-QMMMGPOBSA-N	311.411	1.213	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cccn2C)cc1[N+](=O)[O-]	174017513	YEIDZYFFZXZSJB-UHFFFAOYSA-N	316.317	1.571	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccn(-c2ccccc2F)n1	68808858	NANHYSJSSBGDNR-UHFFFAOYSA-N	305.313	1.364	50	20	DDGD	
O=CNc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1	173618310	BJGDAIRCKFYFTQ-UHFFFAOYSA-N	317.732	1.983	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)C(=O)Nc1ccccc1	177726722	KUUWKEJEVWEULG-UHFFFAOYSA-N	323.308	1.833	50	20	DDGD	
CCCCC(=O)NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1	111054238	GIWBMDXEIBAZCV-UHFFFAOYSA-N	306.370	1.508	50	20	DDGD	
Cc1cnn(CCC(=O)NNC(=O)CCCc2ccccc2)c1	68051755	CZNOAMOKQUCGRF-UHFFFAOYSA-N	314.389	1.752	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](C)CCc2cccn2C)nn1	173850181	BHLQJWAQTOHJFL-NSHDSACASA-N	302.382	1.771	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNc2ncnc3nc[nH]c23)CC1	173958948	KQQIYOHAJYLMFL-UHFFFAOYSA-N	308.345	1.836	50	20	DDGD	
O=C(/C=C/c1ccc2c(c1)OCO2)NNC(=O)NC1CCCC1	65921027	RTLCZDRBWPTWJA-SOFGYWHQSA-N	317.345	1.702	50	20	DDGD	
C=CCNc1ncc(C(=O)NNc2cc(C)nc(C)n2)s1	178548937	PNQVYFAEXQUSKB-UHFFFAOYSA-N	304.379	1.905	50	20	DDGD	
Cc1cc(C)n2nc(C(=O)NNc3c(F)cccc3F)nc2n1	118515032	ZKLBUXJGNBEATM-UHFFFAOYSA-N	318.287	1.776	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1cc2ccccc2oc1=O	114894640	FMJAEASWJHWSOH-UHFFFAOYSA-N	316.704	1.993	50	20	DDGD	
CCC(=O)c1cccc(NC(=O)NNC(=O)Cc2cc[nH]n2)c1	183290557	VBRNNZZTBRSVBU-UHFFFAOYSA-N	315.333	1.398	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1ccccc1O)c1ccncc1	74443002	FASJCPJLZCWKHN-CYBMUJFWSA-N	314.345	1.883	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=O)CNc1ccc(OC)cc1	186379351	WEKRJWOMXUIKDE-UHFFFAOYSA-N	303.362	1.304	50	20	DDGD	
COc1cc(C(=O)NNc2ncc(F)cn2)cc(OC)c1C	123359563	PRYJZHUMNNEHOT-UHFFFAOYSA-N	306.297	1.698	50	20	DDGD	
CC[C@@H]1CCN(C(=O)NNC(=O)COCc2ccccc2)C1	120644732	ZVPCNUPSNIXMQS-CYBMUJFWSA-N	305.378	1.676	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C(C)C)cc1	124854255	BHFWMMGXWQNUOP-LLVKDONJSA-N	305.378	1.942	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)c1ccncc1F	126607344	UUVIGOCITZDBJD-UHFFFAOYSA-N	312.304	1.637	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)no1	75570384	CGJOENMEWUEIDU-UHFFFAOYSA-N	303.322	1.516	50	20	DDGD	
Cc1cnn(-c2ccc(C(=O)NNC(=O)C(C)(C)C)cc2)c1	77220682	WZINVYKKEXRUJK-UHFFFAOYSA-N	300.362	1.988	50	20	DDGD	
COc1cccc(-c2nc(C(=O)NN(C)C(N)=O)c(C)[nH]2)c1	182643360	UIUTYKYLAGDQPN-UHFFFAOYSA-N	303.322	1.049	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CC(C(=O)NC)C2)cc1	186186544	MSMAWVZGUGTIRG-MDWZMJQESA-N	313.357	1.197	50	20	DDGD	
CCc1nn(C)c(Cl)c1C(=O)NNc1cccc(OC)n1	180670538	JYLWCHDSZWUWMF-UHFFFAOYSA-N	309.757	1.796	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)NC(=O)NNC(=O)c1ccccc1	73035758	OXSCIEOELNZKDQ-SECBINFHSA-N	302.334	1.997	50	20	DDGD	
O=C(/C=C/SCc1ccco1)NNC(=O)Cc1cc[nH]n1	186085249	PFFGQESGYIZKAG-QPJJXVBHSA-N	306.347	1.140	50	20	DDGD	
CCSc1cccc(NC(=O)NNC(=O)Cc2cc[nH]n2)c1	185432127	QGHJCRLXVVYQQQ-UHFFFAOYSA-N	319.390	1.917	50	20	DDGD	
Cc1c([C@H](C)NC(=O)NNC(=O)c2ccccc2F)cnn1C	47007186	HZLHRFFOFOKSEA-VIFPVBQESA-N	319.340	1.573	50	20	DDGD	
C/C=C(\CC)C(=O)NNc1c(OC)cccc1S(C)(=O)=O	191037435	IZCBMGZPMRIXPN-BJMVGYQFSA-N	312.391	1.898	50	20	DDGD	
CN(C)c1noc(CNC(=O)/C(C#N)=C\c2ccc(F)cc2)n1	193903460	OJHUDMSDZBXNCN-XFFZJAGNSA-N	315.308	1.498	50	20	DDGD	
COc1cc(F)ccc1NC(=O)C(=O)NNc1ccnc(F)c1	190310939	LRAJMCKXHWMVMN-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
COc1cccc(C2=NO[C@@H](C(=O)NNc3ccncc3)C2)c1	194551220	LXSMJKDWUSKUGY-OAHLLOKOSA-N	312.329	1.727	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NC[C@H]2Cc3ccccc32)cc1	195329015	YOSVFANIVOVZHF-OAHLLOKOSA-N	320.352	1.842	50	20	DDGD	
CCS(=O)(=O)CCN(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	194815061	UBSWZMFGTKEKPS-RAXLEYEMSA-N	322.386	1.192	50	20	DDGD	
COCCn1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C)c2)n1	190479591	IPKYJRBJMHHQOY-UHFFFAOYSA-N	305.290	1.965	50	20	DDGD	
CCC[C@@H](C)N1C[C@H](C(=O)NNc2nc(C)cc(C)n2)CC1=O	193632387	VXBOXPQWYJVMRZ-CHWSQXEVSA-N	319.409	1.574	50	20	DDGD	
Cc1cccc(NNC(=O)c2cc(S(N)(=O)=O)ccc2C)c1	192999582	ZWCHXEYYIIXALV-UHFFFAOYSA-N	319.386	1.708	50	20	DDGD	
O=C(CCOc1cccc(Cl)c1)NNC(=O)c1ccc[nH]1	97285698	UTYCOIIHTLBBEU-UHFFFAOYSA-N	307.737	1.898	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(OC)c(OC)c2)n1	266912913	JPYOPVNHIBJPSB-UHFFFAOYSA-N	318.333	1.568	50	20	DDGD	
CN(C[C@H](O)CN1CCOCC1)/C(=C/C#N)c1ccc(F)cc1	267571728	DJCKRSGFJUTSJD-ZAAZNCFDSA-N	319.380	1.315	50	20	DDGD	
COCC[C@@H](NC(=O)NNc1ccc(C)nn1)c1ccco1	272516143	JHOSVCZQLPLFNJ-LLVKDONJSA-N	305.338	1.782	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C(=O)N2CCC[C@H](C)C2)c1	278303888	CDGBGVLBGSTCNZ-JTQLQIEISA-N	309.341	1.536	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C2CCC2)ccc1C(=O)N(C)C	272799198	HHLRCMCCBPBYLL-UHFFFAOYSA-N	318.377	1.650	50	20	DDGD	
COC1(CC(=O)NNC(=O)CCc2ccccc2O)CCC1	276704061	AVTIRKQZWGGZGR-UHFFFAOYSA-N	306.362	1.431	50	20	DDGD	
CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CC=C(C#N)CC1	272584838	FKIFZAWSHANFOA-AWEZNQCLSA-N	305.378	1.086	50	20	DDGD	
CC[C@@H]1C[C@H](CC(=O)NNC(=O)Cn2nc(C)cc2C)CCO1	272988587	SKACAZYKMALQFH-ZIAGYGMSSA-N	322.409	1.243	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NCCCCCCO	271815419	MQJOJPQCUHRSMS-UHFFFAOYSA-N	321.421	1.892	50	20	DDGD	
C[C@H]1Oc2ccc(NC(=O)NNC(=O)C(C)(C)C)cc2NC1=O	271212550	AFHSROXUOCMRTM-MRVPVSSYSA-N	320.349	1.605	50	20	DDGD	
CCS(=O)(=O)C[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(O)cc1	275164549	VDMBRMMJDCNGAE-JYVXZMADSA-N	322.386	1.239	50	20	DDGD	
CN(C)C(=O)Nc1ccc(C(=O)NN(C)C(N)=O)c(Cl)c1	272134721	CJHDFUHGIAIEOU-UHFFFAOYSA-N	313.745	1.089	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2Cc3ccccc3O2)c1	371580590	OHUPGICNINZBCT-HNNXBMFYSA-N	312.325	1.920	50	20	DDGD	
C[C@@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)CCCCCl	376345115	YAKZMFGFMJPOTA-CHWSQXEVSA-N	308.875	1.894	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2nc(C(C)C)oc2C)n1	287043648	LEDCNTIOCDLNLE-UHFFFAOYSA-N	302.334	1.885	50	20	DDGD	
C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)NNC(=O)c1ccccc1	286810489	VNLYUBCPTJTEBK-DZGCQCFKSA-N	316.405	1.600	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1	286197095	DGQYPTYABXEOAQ-QWRGUYRKSA-N	322.365	1.038	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1CCCCN1Cc1ccccc1	288515423	VOIFVMWESOXXEU-INIZCTEOSA-N	305.422	1.651	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(F)n1)C(=O)N1CCCC[C@@H]1C	287776903	KFLVSWSGLJCTEC-QWRGUYRKSA-N	323.372	1.636	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc2c(c1)SCC(=O)N2	289456548	FQYJHZMANLMMEV-UHFFFAOYSA-N	323.374	1.900	50	20	DDGD	
CC1=C(C(=O)NNc2ncccc2C)[C@@H](C)n2ncnc2N1C	282222186	GYZGKGQCTRUZKL-LLVKDONJSA-N	313.365	1.410	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H](C)c1cn(C)c2ccccc12	281415728	ZQPNQHZKABWKFZ-NSHDSACASA-N	316.430	1.963	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2noc3c2CCCC3)nn1	288347879	BAZKURPTBOJKHL-UHFFFAOYSA-N	302.338	1.478	50	20	DDGD	
Cc1cncc(CCC(=O)NNC(=O)NC2CCCCC2)c1	291949419	FGKYMWVZJHMUML-UHFFFAOYSA-N	304.394	1.986	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1cccc2[nH]ccc12	804951249	OKXPVIPQURWDSV-UHFFFAOYSA-N	319.328	1.901	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCC[C@H](C)C2)cc1	801105576	HTZZKNXMFVVPAL-STQMWFEESA-N	317.389	1.907	50	20	DDGD	
COCCCOc1cccc(C(=O)NNc2ncncc2F)c1	294000980	MDINGRJFWCYEJC-UHFFFAOYSA-N	320.324	1.788	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)c2ncn(C(C)(C)C)n2)c1	294045577	XUYGXTZEDROXQL-UHFFFAOYSA-N	316.365	1.748	50	20	DDGD	
C#CCO[C@H](C)C(=O)NNC(=O)NCc1ccc(Cl)cc1	295168999	GHWUCPWAMHNPJU-SNVBAGLBSA-N	309.753	1.209	50	20	DDGD	
COCC(=O)NNc1cc([N+](=O)[O-])ccc1Br	800617144	ZWLLROPIDQDIJS-UHFFFAOYSA-N	304.100	1.447	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	297288877	PVCWUYZYDKDNEB-AWEZNQCLSA-N	305.378	1.437	50	20	DDGD	
Cc1ccccc1-n1cc(C=NNC(=O)c2c[nH]nc2C)nn1	807973697	VTQFMALLIBUQBP-UHFFFAOYSA-N	309.333	1.371	50	20	DDGD	
O=C(C[C@H]1COc2ccccc2O1)NNC(=O)NC1CCCC1	294630572	GAUSVSXVCDNQFF-LBPRGKRZSA-N	319.361	1.490	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H](C)n2cnc3ccccc32)O1	293856536	HZHQJJKJVQVBTE-MJVIPROJSA-N	316.361	1.312	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1c(O)cnc2ccc(Cl)cc12	801640139	DVALBASGSORPNS-UHFFFAOYSA-N	322.752	1.900	50	20	DDGD	
C[C@H](Cc1cncc2ccccc12)C(=O)NNC(=O)CN(C)C	806772022	YVNDJIIJQDDRDL-GFCCVEGCSA-N	314.389	1.122	50	20	DDGD	
Cc1ncsc1CCC(=O)NNc1cc(Cl)nc(N)n1	298892641	JKGLVROCGKAACQ-UHFFFAOYSA-N	312.786	1.553	50	20	DDGD	
N#CCNC(=O)CNC(=O)CCCC[C@H]1CCSS1	804821643	WVFQQHJLTVFFDP-JTQLQIEISA-N	301.437	1.456	50	20	DDGD	
COC(=O)CCCCNC(=O)NNC(=O)c1ccc(C)s1	299366786	ZLPYFSYSZQLWIU-UHFFFAOYSA-N	313.379	1.344	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1nc(-c2ccccc2)cs1	293873845	DAPUMEHFLKXZKO-LBPRGKRZSA-N	317.370	1.750	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(C2CC2)c1	814781666	NRFYCUNWKYOQMZ-OAHLLOKOSA-N	320.414	1.839	50	20	DDGD	
CC(=NNC(=O)CC(F)(F)F)c1cc([N+](=O)[O-])ccc1N	814811825	VQLPRGRTTKRFON-UHFFFAOYSA-N	304.228	1.970	50	20	DDGD	
CC(=NNC(=O)Nc1ccc2c(c1)OCO2)c1cnnn1C	814992256	CDJGQOLAEWTDOL-UHFFFAOYSA-N	302.294	1.090	50	20	DDGD	
Cn1cc(Br)c(C(=O)NNc2ncccc2F)n1	816641231	LZEUMKBWCGISEM-UHFFFAOYSA-N	314.118	1.474	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1csc(C(=O)O)c1	814787995	XJVMUCQJJSYWPJ-UHFFFAOYSA-N	306.347	1.561	50	20	DDGD	
O=C(NNc1nc[nH]n1)[C@H](OC1CCCC1)c1ccccc1	816632164	WWFDYUBVALLNLO-CYBMUJFWSA-N	301.350	1.948	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)CCc1cncs1	814407266	CLUNDBNWIYXYCH-UHFFFAOYSA-N	303.387	1.856	50	20	DDGD	
CC(=NNC(=O)C(F)F)c1ccc(-n2c(C)cnc2O)cc1	814902000	JZZAPUKHGNXPHL-UHFFFAOYSA-N	308.288	1.992	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2n[nH]cc2[N+](=O)[O-])ccc1C	816687403	YGSJZFXNIJWCFQ-UHFFFAOYSA-N	319.277	1.170	50	20	DDGD	
COc1ccc(C)cc1-n1ccc(C(=O)NN(C)C2CC2)n1	819646446	YWBFJASEQZXAMI-UHFFFAOYSA-N	300.362	1.928	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1cnc(Cc2ccccc2)s1	816631754	DFGWLOVQBFMMQZ-UHFFFAOYSA-N	300.347	1.609	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H]1CCc2nncn2C1	813821176	QHTFRPJXRGMRBJ-LLVKDONJSA-N	314.349	1.002	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)c1cccc(CO)c1	813474089	ZGJGPDOQKQJXEU-UHFFFAOYSA-N	310.309	2.000	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	819535164	NKCKXKZUIMVIHA-AGIUHOORSA-N	302.440	1.305	50	20	DDGD	
Cc1ccoc1C=NNC(=O)Nc1ccc(S(N)(=O)=O)cc1	814964565	YOBRYKPKBSQFMU-UHFFFAOYSA-N	322.346	1.391	50	20	DDGD	
CC(=NN(C)C(N)=O)c1ccc(OCc2nccn2C)cc1	814890917	GPZIEDXKOLBLRT-UHFFFAOYSA-N	301.350	1.734	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2O)cn1	728962743	KYDGMFDMJOVNSD-UHFFFAOYSA-N	315.716	1.497	50	20	DDGD	
Cc1cc(Cl)cc2c1OCC2=NNC(=O)N1CCOCC1	814819699	HFONMXUPJGHPHE-UHFFFAOYSA-N	309.753	1.787	50	20	DDGD	
CCN(CCO)NC(=O)c1sc(Br)nc1C	823884886	NUMMILJRKDSWQM-UHFFFAOYSA-N	308.201	1.173	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(NC(=O)OC(C)(C)C)cn1	496477331	HNTJFOZVUISEHG-UHFFFAOYSA-N	324.337	1.820	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCc2ccc(F)cc2C1	827287698	GOBNKCPARJUNIP-YGRLFVJLSA-N	321.352	1.350	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1CCc2ccc(F)cc2C1	827287697	GOBNKCPARJUNIP-QMTHXVAHSA-N	321.352	1.350	50	20	DDGD	
Cc1cccnc1NNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	491087389	XDRLTJPBIRXURY-AUWJEWJLSA-N	320.356	1.959	50	20	DDGD	
Cc1ncc2n1C[C@@H](C(=O)NN(C)C(=O)OC(C)(C)C)CC2	497237498	SQFHZAUPIPAJKL-NSHDSACASA-N	308.382	1.652	50	20	DDGD	
O=C(NN=Cc1ccc(O)cc1O)c1cc(Br)c[nH]1	725837422	AVYJQJPYBVMROV-UHFFFAOYSA-N	324.134	1.952	50	20	DDGD	
C=CC(=O)NCc1ccc(C(=O)NNc2cccc(F)n2)cc1	490756651	GTMOILQXTRLCIT-UHFFFAOYSA-N	314.320	1.780	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C	491114069	JNBDRYUTICSBDA-UHFFFAOYSA-N	316.402	1.278	50	20	DDGD	
Cc1sc(NC(=O)NNC(=O)c2ccnnc2)nc1C(C)C	824268135	MUKRMIXNGOTVKX-UHFFFAOYSA-N	320.378	1.831	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccccc1-n1nc(C)nc1C	494160973	XFMZRSOAUPTAHJ-UHFFFAOYSA-N	304.310	1.277	50	20	DDGD	
OB(O)c1ccccc1CN[C@H]1CCCN(Cc2ccccc2)C1	585026272	FMHGEFYSEMEBJB-SFHVURJKSA-N	324.233	1.121	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C	495761332	JPOSHMCWEYIMRY-VIFPVBQESA-N	303.359	1.219	50	20	DDGD	
CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)[C@H]1CCCO1	823953907	VCXUMPREORYSOR-GFCCVEGCSA-N	300.322	1.151	50	20	DDGD	
CC(C)Cn1[nH]c(CC(=O)NNc2cccc(Cl)n2)cc1=O	820298156	NIEGBDYKIKFVSC-UHFFFAOYSA-N	323.784	1.567	50	20	DDGD	
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NNC(=O)c1ccc[nH]1	822802162	DAZSUXXUOMBKNT-WCQYABFASA-N	314.345	1.523	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2cccc(-c3nn[nH]n3)c2)CCO1	824892472	IUDWDZSPVVJMKC-GXSJLCMTSA-N	317.353	1.060	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2cc(C)[nH]n2)c2ccccc2n1	823961230	PFPNRCPAKLXUSC-UHFFFAOYSA-N	323.356	1.578	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)/C=C\c1ccc2ccccc2n1	491750583	ROAOOFDWAMWWMJ-HJWRWDBZSA-N	321.340	1.741	50	20	DDGD	
O=C(/C=C\C1CCCC1)NNC(=O)CNC(=O)c1cccs1	493422393	QMRJOZXECWYLSZ-FPLPWBNLSA-N	321.402	1.372	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1	823864990	GBFWCJXPIUJXLX-INIZCTEOSA-N	323.412	1.526	50	20	DDGD	
CCNC(=O)COc1cccc(NC(=O)NN(C)C2CC2)c1	824026271	LPZDAKCMGOTITR-UHFFFAOYSA-N	306.366	1.332	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1nc2ccc(OC)cc2s1	490695520	NGQRXJHJGDLKHP-YFHOEESVSA-N	317.370	1.974	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cc(O)ncc1Br	820757158	CJQQSQDUZJPEIY-UHFFFAOYSA-N	314.139	1.111	50	20	DDGD	
CC[C@@H](C)c1nc(C)c(CC(=O)NN(C)[C@@H](C)CO)c(C)n1	823913343	SBHAJNQHDWEBHC-MNOVXSKESA-N	308.426	1.493	50	20	DDGD	
CCC[C@H]1CCC[C@H]1C(=O)NNc1nc(O)c2cnn(C)c2n1	823326073	RYNKKVGPQQTTAQ-VHSXEESVSA-N	318.381	1.728	50	20	DDGD	
O=C(CC[C@@H]1CCOC1)NNc1ccc(-c2nn[nH]n2)cc1	826405455	GHWRYPWYWMFFGP-SNVBAGLBSA-N	302.338	1.127	50	20	DDGD	
CSc1cc(C(=O)NNC(=O)Cc2ccccc2F)ccn1	731328018	NAKQHFFPCCQMGZ-UHFFFAOYSA-N	319.361	1.946	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2C[C@@H]2C(=O)O)c1C	738736500	NYXVMCGDJUQONJ-UWVGGRQHSA-N	307.375	1.342	50	20	DDGD	
COc1ccc([C@@H](C)[C@H](C)NCc2ccccc2B(O)O)cc1	585026930	UNGRVFRALMZUTJ-KBPBESRZSA-N	313.206	1.657	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2(N(C)C)CCC2)c(F)c1	837207747	ZSESQEJVGWYDHP-UHFFFAOYSA-N	309.341	1.540	50	20	DDGD	
Cc1ccc(C)c(OCCCCC(=O)N2CC[C@H](B(O)O)C2)c1	585075817	JGAFWLCZJKKPRR-HNNXBMFYSA-N	319.210	1.928	50	20	DDGD	
CC1(C)C[C@@H](CNC(=O)NNC(=O)c2ccccc2)CCO1	836205573	LFRBLDOMAZQZAU-LBPRGKRZSA-N	305.378	1.836	50	20	DDGD	
CN(NC(=O)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(N)=O	495223539	UNZATZGNWJVXAS-JTQLQIEISA-N	314.386	1.065	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc(F)c(F)c1F	831057298	FSVSDDDSQBUKFX-RNFRBKRXSA-N	317.267	1.682	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](O)CC(C)(C)C1	832147346	FYFMUDQCBHOGCN-CHWSQXEVSA-N	313.442	1.051	50	20	DDGD	
CC[C@@H](CCc1ccccc1)NC(=O)c1cccc(B(O)O)c1	585010391	PMOOXEHNWYQLPQ-KRWDZBQOSA-N	311.190	1.508	50	20	DDGD	
C[C@H](C(=O)NNc1nc2ccccc2c(=O)n1C)C1CCC1	837417981	HZPRTOZKIIMKSM-JTQLQIEISA-N	300.362	1.813	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)Cn2ccnc2C)cc1C	837666544	VUQVMUJFDBJBRH-UHFFFAOYSA-N	316.361	1.820	50	20	DDGD	
O=S(=O)(CCl)N1CCO[C@H](CCc2ccccc2)C1	831096908	NQGAMUKMKIVLBN-CYBMUJFWSA-N	303.811	1.846	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc(C#N)cc1)C1CCCC1	839465764	RZBYANMFCKMYNN-UHFFFAOYSA-N	314.389	1.584	50	20	DDGD	
C[C@@H]1C[C@@H](C)CN(CCCCNCc2ccccc2B(O)O)C1	585016339	VZDFBZOQVQQYFV-HZPDHXFCSA-N	318.270	1.214	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC[C@H](C)N(C)C)cc1F	838685863	WJOOJTSALPJBJF-VIFPVBQESA-N	312.345	1.189	50	20	DDGD	
CC(C)(C)C1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1	584980301	VVDAGWYCFKBKPY-UHFFFAOYSA-N	307.174	1.404	50	20	DDGD	
COC(=O)NCCC(=O)NNC(=S)Nc1cccc(C)c1C	730830755	WZFBBBDWJMCJLG-UHFFFAOYSA-N	324.406	1.367	50	20	DDGD	
O=C(C[C@@H]1CCC(=O)N1)NNc1ccc(C(F)(F)F)cc1	830791197	CLZVGGJYBHXQGN-JTQLQIEISA-N	301.268	1.817	50	20	DDGD	
CCOC(=O)[C@H](F)C1CN(C(=O)[C@]2(C)C[C@H]2Br)C1	908404571	VSJRPMIIBDGANT-KBVBSXBZSA-N	322.174	1.520	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1	730576977	YBJILYJLCBPXQI-LLVKDONJSA-N	312.366	1.491	50	20	DDGD	
CC(C)C[C@@H]1C[C@H]1C(=O)OCC(=O)NNC(=O)c1ccccc1	837973803	SILXJHXWOMDCOK-ZIAGYGMSSA-N	318.373	1.673	50	20	DDGD	
O=C(NNc1ccncn1)N[C@H]1CCN(c2ccccc2F)C1	836470763	ZDNIDVRAULZGPV-NSHDSACASA-N	316.340	1.521	50	20	DDGD	
O=C(N1CC[C@@H](B(O)O)C1)[C@@]12CC[C@@H](C[C@H]1Br)C2	585065762	KBPKEBQBFXNHQR-BTQIBKBOSA-N	316.004	1.015	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NN[C@@H](C(=O)O)c1cccnc1	833123157	WTVCUDVUBVAHNT-MRXNPFEDSA-N	324.340	1.483	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)Nc1ccc(OC)cc1)C1CC1	836370921	KFEKNMUFOVIWJM-CYBMUJFWSA-N	322.365	1.456	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)N=c1cc[nH]cc1)[C@@H]1C[C@H]2CC[C@H]1C2	837321649	YJSTUPPHIFTQRR-UHXUPSOCSA-N	317.393	1.664	50	20	DDGD	
C=C(CC)CNC(=O)NNC(=O)COc1ccc(OC)cc1	838721351	WWODQWWAUUQKJK-UHFFFAOYSA-N	307.350	1.371	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1oc(C(C)C)nc1C#N	730283593	RCMFIWBACYXRHS-LBPRGKRZSA-N	301.350	1.210	50	20	DDGD	
CCC(C)(C)OCC(=O)NNC(=O)COc1ccccc1F	837309762	VSXATPXLDPYRDW-UHFFFAOYSA-N	312.341	1.557	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)Cn1cc(C)cn1	918688750	BNZGINGMZUDXPZ-UHFFFAOYSA-N	322.752	1.315	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)CCc2ccccc2)CCN1C	745858306	OJPKYMZZGMLYMS-ZFWWWQNUSA-N	318.421	1.432	50	20	DDGD	
COCCCCNC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	743536228	HANVMKRXTFLBJB-UHFFFAOYSA-N	323.397	1.515	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCCC(=O)c1ccccc1	911503398	SQSFCMOKYOZPCC-JSGCOSHPSA-N	318.373	1.612	50	20	DDGD	
CCC(=O)NN=C(C)c1cccc(N2CCCS2(=O)=O)c1	741161257	MZOLBZYXYFZKDI-UHFFFAOYSA-N	309.391	1.477	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccccc2)c1	744491657	SJQOFXIWJWPPGD-UHFFFAOYSA-N	312.325	1.613	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1ccnn1CC1CC1	849177885	TWPDNVSXFWGFLE-GXDHUFHOSA-N	302.378	1.743	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)[C@@H]1CCCCO1	848320996	FCWKTTWRJZQBQY-QMMMGPOBSA-N	301.144	1.251	50	20	DDGD	
COC/C(C)=C\C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	844290031	ZTHBUSDJBTXQAW-HIJJYWJESA-N	310.325	1.333	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C[C@H](C)OC)cc1	749468991	ILLPZMUEIDFHLQ-NWDGAFQWSA-N	324.377	1.425	50	20	DDGD	
O=C(CCc1cccnc1)NNC(=O)c1ccc(Cl)cc1O	918358047	ICNJEDFGUYGLTK-UHFFFAOYSA-N	319.748	1.834	50	20	DDGD	
Cc1cc(C(=O)NNc2ncccn2)ccc1N1CCOCC1	843762224	VSTUWUFNBLYEAI-UHFFFAOYSA-N	313.361	1.379	50	20	DDGD	
COc1ccccc1C(C)=NNC(=O)[C@H](C)CN1CCOCC1	916361935	GMVLOLVJMOUUDU-CYBMUJFWSA-N	319.405	1.504	50	20	DDGD	
CC(C)N(C)c1ccc(C=NNC(=O)[C@H]2CCO[C@@H]2C)cn1	842558671	HBTLISSPWRTOSR-OCCSQVGLSA-N	304.394	1.801	50	20	DDGD	
N[C@H]1CCC[C@H](NC(=O)NNc2ncnc3ccsc23)C1	841983159	OOKFUNWSXHONKG-IUCAKERBSA-N	306.395	1.587	50	20	DDGD	
CC(C)[C@]1(C)C[C@H]1C(=O)NNc1ccccc1S(N)(=O)=O	842262058	PXQVNHFOLOXNTF-HZMBPMFUSA-N	311.407	1.459	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccn(CC)n1)c1ccccc1	843546420	FDWZAEPZSTZGNR-ZDUSSCGKSA-N	300.362	1.858	50	20	DDGD	
O=C(NC[C@@H]1COCCO1)NNc1ccc(Cl)c(F)c1	746757019	MMHQBSDXOZBNCF-SECBINFHSA-N	303.721	1.521	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)CSC(C)C)c1	914458166	BSTRAJDTCUCHLE-UHFFFAOYSA-N	310.419	1.971	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H]1CCN(Cc2ccccc2)C1	847345509	JALSJJPUJMTIKR-CQSZACIVSA-N	303.406	1.702	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)Cn2ccnc2C)cc1C	744385427	KERVCMDXNLTMDA-UHFFFAOYSA-N	306.391	1.585	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)COC1CCCCC1	916133772	LSCOVXNHQBYRKP-UHFFFAOYSA-N	324.352	1.701	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H](C)CCOc1ccccc1	843654902	SXOAPAARVZADIV-VNHYZAJKSA-N	320.389	1.664	50	20	DDGD	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NN(C)C[C@@H](C)O	910177263	KAAWQZHUISNHLT-ZJUUUORDSA-N	313.379	1.419	50	20	DDGD	
CCONC(=O)CNC(=O)/C(C#N)=C/c1ccc(OCC)cc1	846495510	DKZRYIODHSACSM-UKTHLTGXSA-N	317.345	1.176	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)NC1CCCCC1)c1cnn(C)c1	840237536	MAMUCOHJTMKARQ-NSHDSACASA-N	307.398	1.577	50	20	DDGD	
NC(=O)C1(C(=O)NNc2ccc(F)cc2Br)CC1	748075997	VZVPZQUHTAMJAQ-UHFFFAOYSA-N	316.130	1.297	50	20	DDGD	
CCC(C=NNC(=O)Cn1nnc(-c2ccccc2)n1)CC	915907374	ISZQTYWDYOIVEB-UHFFFAOYSA-N	300.366	1.878	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O	848083806	OZVOQCSKGLMAAP-DTORHVGOSA-N	319.188	1.200	50	20	DDGD	
COc1cc(C(C)=NNC(=O)Cn2nc(C)cc2C)ccc1O	916343380	VPNFRRBZBHTDBJ-UHFFFAOYSA-N	316.361	1.755	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)N[C@H]1CCCNCC1	841978660	NUBKSCXESCZRHR-AWEZNQCLSA-N	304.394	1.092	50	20	DDGD	
O=C(NNc1nccc2sccc12)[C@H]1CCCS1(=O)=O	848369737	FRSMCPSCRNTPLT-SNVBAGLBSA-N	311.388	1.317	50	20	DDGD	
O=C(NC[C@@H]1CNCCO1)NNc1ccc(Cl)c(F)c1	842011883	RSIMBHHHFAPOOV-VIFPVBQESA-N	302.737	1.094	50	20	DDGD	
CC(Cc1nc2ccccc2s1)=NNC(=O)C(=O)NC1CC1	749158961	VANVCAUPOMSIHM-UHFFFAOYSA-N	316.386	1.610	50	20	DDGD	
COc1cccc(NNC(=O)Nc2ccc3c(c2)CNCC3)n1	841303330	BHBJDKSUACFNLF-UHFFFAOYSA-N	313.361	1.885	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc(C(F)(F)F)cn1	844260106	ZJCCAOZARXZJQR-UHFFFAOYSA-N	312.251	1.514	50	20	DDGD	
CC1=CC(=NNC(=O)N[C@H]2CCS(=O)(=O)C2)CC(C)(C)C1	920380609	LFQYNXLTKHTWEY-NSHDSACASA-N	313.423	1.595	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2oc(C)cc2C)c1	749310933	PLOFAYDKVBZYDA-UHFFFAOYSA-N	318.329	1.988	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C(C)C)c(C#N)cc1N(C)C	841712482	HDZNRBVBAGPYQY-UHFFFAOYSA-N	303.366	1.741	50	20	DDGD	
O=C(Cn1nc(C(F)F)cc1C(F)F)NNc1ncccn1	929897031	NAHHZFOCWXJDNJ-UHFFFAOYSA-N	318.234	1.692	50	20	DDGD	
O=C(NNC(=O)C1(c2ccccc2F)CCCC1)c1cc[nH]n1	855359062	DQCCUHCHFYQYRW-UHFFFAOYSA-N	316.336	1.822	50	20	DDGD	
O=C(OC[C@H](CBr)C1CC1)C1(O)CCOCC1	859544969	JDBWEGJCKSNYGQ-JTQLQIEISA-N	307.184	1.492	50	20	DDGD	
CC[C@H](C)N(CC)CC(=O)NNC(=O)c1ccc(C#N)cc1	852290498	JLBCJLUGVPOWNF-LBPRGKRZSA-N	302.378	1.440	50	20	DDGD	
CCO[C@@H]1C[C@@H](NCC(=O)NNC(=O)C2CC2)C1(CC)CC	759438814	WQQPKRYYBYWOQH-CHWSQXEVSA-N	311.426	1.117	50	20	DDGD	
O=C(CC[C@@H]1CC1(Cl)Cl)NNC(=O)N=c1cc[nH]cc1	854377306	KOFINGYTGDLADZ-MRVPVSSYSA-N	317.176	1.630	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)Nc1ccsc1	757656482	IIOJKHZVXFSVPP-UHFFFAOYSA-N	321.358	1.988	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)Nc1cnn(CC2CC2)c1	856842146	OKWKBKVLNYSWIE-UHFFFAOYSA-N	307.745	1.885	50	20	DDGD	
C#CC[C@@H](CCOC)NC(=O)NNC(=O)c1ccccc1OC	858207598	JXCNNYOZIIJLQO-LBPRGKRZSA-N	319.361	1.068	50	20	DDGD	
O=C(NNC(=O)c1cc2c(nc1O)CCC2)OCC(F)(F)F	856025057	IXSRHYVPDNVKPR-UHFFFAOYSA-N	319.239	1.209	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@@H]1CCCS(=O)(=O)C1	855370067	LZWWZZWUDIDIFN-SNVBAGLBSA-N	300.355	1.402	50	20	DDGD	
Cn1ccc(CCC(=O)NC[C@@]2(C)C[C@H]2Br)n1	857387276	GOVNQXZVBKKJQP-ZYHUDNBSSA-N	300.200	1.642	50	20	DDGD	
CC1CC(CNC(=O)NNC(=O)COc2ccccc2O)C1	856905283	LSEPAEBGPNLRII-UHFFFAOYSA-N	307.350	1.148	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])c(O)c1	759297913	OWEDIDUMSRRCHL-UHFFFAOYSA-N	319.233	1.361	50	20	DDGD	
C[C@@H](CCCC(F)(F)F)NC(=O)NNC(=O)c1cnn(C)c1	755299361	SMXMWSGJHCJMFY-QMMMGPOBSA-N	321.303	1.485	50	20	DDGD	
O=C(NCCO[C@@H]1CCOC1)NNc1cc(F)c(F)cc1F	927516624	YXIRYSVFIHDRGZ-MRVPVSSYSA-N	319.283	1.536	50	20	DDGD	
Cc1noc2ncc(C(=O)NNC(=O)OCC(F)(F)F)cc12	856024961	GFPCABCUQNXGHQ-UHFFFAOYSA-N	318.211	1.465	50	20	DDGD	
Cc1ccc(NNC(=O)NCCCS(C)(=O)=O)cc1F	853722932	MKPJSDUPCGJJJS-UHFFFAOYSA-N	303.359	1.195	50	20	DDGD	
CC(C)c1nnc(CCC(=O)NNc2ncccc2[N+](=O)[O-])o1	759301394	PIQHFIMXSBUUCM-UHFFFAOYSA-N	320.309	1.572	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1	855366695	IWZGTMXNQFHQOD-SNVBAGLBSA-N	317.324	1.353	50	20	DDGD	
Cn1ccc(CCC(=O)NC[C@@]2(C)C[C@@H]2Br)n1	857387273	GOVNQXZVBKKJQP-CMPLNLGQSA-N	300.200	1.642	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2cnc3c(c2)nnn3C)c1	755576526	TXZAENKCSVPZNN-UHFFFAOYSA-N	316.296	1.268	50	20	DDGD	
O=C(C[C@H]1CSCCS1)NNC(=O)CC(F)(F)F	752286592	PFTVRXZYZVDZIW-LURJTMIESA-N	302.343	1.325	50	20	DDGD	
CN1CCC[C@H](NC(=O)NNc2cc(F)cc(Cl)c2)C1=O	853820400	DUSIABVFRSONSI-NSHDSACASA-N	314.748	1.726	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccnn1	858131383	TXLMAGWEJTVKAR-UHFFFAOYSA-N	300.362	1.454	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1	756659692	DYKIOSOLAFZTOQ-UHFFFAOYSA-N	305.313	1.883	50	20	DDGD	
Cn1ccc(CNC(=O)NC[C@@]2(C)C[C@H]2Br)n1	856845027	ISRPTMXJDXNWLE-MWLCHTKSSA-N	301.188	1.393	50	20	DDGD	
CC[C@H](C)C=NNC(=O)Cc1csc(N2CCOCC2)n1	755598198	GMAXXXZQIFAUGI-NSHDSACASA-N	310.423	1.670	50	20	DDGD	
CCc1ccc(C=NNC(=O)CNC(=O)c2cccnc2)cc1	763197355	ZAYANDAXDAJLEP-UHFFFAOYSA-N	310.357	1.524	50	20	DDGD	
O=C1NCC[C@]1(C(=O)NNc1ncccc1F)C1CCCC1	861662403	VJQAQVLISMADAL-HNNXBMFYSA-N	306.341	1.360	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2cncnc2)cc1F	760806157	BQHRTJSJXVBMRJ-UHFFFAOYSA-N	321.337	1.256	50	20	DDGD	
Cc1nn(C)c(C)c1CC(=O)NNCC(F)(F)C(F)(F)F	863091149	BQJBWOPEGJYVLJ-UHFFFAOYSA-N	314.258	1.398	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1cnn(C2CCC2)c1	934312402	FCOLKWAJXMWVMX-GFCCVEGCSA-N	307.354	1.330	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H](O)C(C)(C)C)c1	764589291	XUSMBHYTSDBKGZ-CQSZACIVSA-N	308.378	1.237	50	20	DDGD	
CCO[C@@H]1COCC[C@@H]1NS(=O)(=O)CC(C)(C)CCl	867104434	ALHWXEURDZCOCJ-WDEREUQCSA-N	313.847	1.365	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccn2C)nc1Cl	766354422	FCJJUTLCZMHJOB-UHFFFAOYSA-N	308.725	1.157	50	20	DDGD	
CCSCC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1	863149977	KFHOPCGGRDLBFG-LBPRGKRZSA-N	305.403	1.539	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCCO1)C(=O)NNc1nc2ccccc2[nH]1	768505795	WYNYIDOPRQUBFZ-NEPJUHHUSA-N	318.377	1.980	50	20	DDGD	
CCc1nnc(O)c(C(=O)NN[C@@H](C)C(F)(F)F)c1CC	862310718	DQFJLMGNNVBGFZ-LURJTMIESA-N	306.288	1.492	50	20	DDGD	
C=C(Cl)CNC(=O)NNc1ccccc1S(C)(=O)=O	765791166	YKFVAWLOAVSISR-UHFFFAOYSA-N	303.771	1.469	50	20	DDGD	
CCOc1ccc(C(=O)NN=c2cc[nH]c(C)c2)cc1OC	862508848	YSXTXPFVTGMARM-UHFFFAOYSA-N	301.346	1.976	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@@H]1CC12CCC2	768634614	MXEAOHITCWGOSG-JTQLQIEISA-N	324.402	1.732	50	20	DDGD	
CN(CC(=O)NNC(=O)NCC(F)(F)F)Cc1ccccc1	1116896247	KCYWADXAGFAQAK-UHFFFAOYSA-N	318.299	1.011	50	20	DDGD	
CN1CCCC[C@@H](C(=O)NNC(=O)c2cccc(Cl)c2)C1=O	873783710	MBZWSGDEHRDVGQ-LBPRGKRZSA-N	323.780	1.360	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)C12CCCN1CCC2	1119115189	FKYSEBMLKNWKEA-UHFFFAOYSA-N	305.407	1.028	50	20	DDGD	
COC(OC)C(=O)NNC(=S)Nc1cc(C)ccc1F	874947762	SDOHDVIFHUVMIJ-UHFFFAOYSA-N	301.343	1.071	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1csc(Br)n1	874194536	XIXNIQTVPJXBPN-UHFFFAOYSA-N	319.184	1.260	50	20	DDGD	
CCOc1cccc([C@H](C)NCC(=O)NNC(=O)C(C)(C)C)c1	775211247	CFHZAAMIZCOPAQ-LBPRGKRZSA-N	321.421	1.929	50	20	DDGD	
COC(=O)N(C)NC(=O)NCC(C)(C)c1ccc(OC)cc1	875180108	NXLUTOFSQSWXIH-UHFFFAOYSA-N	309.366	1.885	50	20	DDGD	
O=C(NNc1ccc(Br)c(F)c1)c1n[nH]c(O)n1	771746257	YTXJCYDVYODZDJ-UHFFFAOYSA-N	316.090	1.169	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc2[nH]ccc12	772010965	ZJTMEHYQMSTIDZ-VIFPVBQESA-N	303.318	1.271	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCC(F)F	879759690	XFOXQZSPMCBBBN-ZETCQYMHSA-N	305.256	1.189	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1ccn(CC(F)(F)F)n1	775680129	OLFHMEWAYZKFLC-UHFFFAOYSA-N	319.222	1.523	50	20	DDGD	
CC1(C)CC(=NNC(=O)CNC(=O)c2cccs2)CCO1	872348788	RZRGLMMNLBMKPC-UHFFFAOYSA-N	309.391	1.539	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)C[C@H]2CCC(=O)N2)c1	874948760	ZPZPMWOUGZPIGP-SECBINFHSA-N	324.381	1.120	50	20	DDGD	
C[C@H]1CCC[C@@H](OCC(=O)NNc2cc(Cl)nc(N)n2)C1	779376748	ZWVDZGJDICKXMK-DTWKUNHWSA-N	313.789	1.751	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)[C@@H]1CCCS(=O)(=O)C1	885113565	FCVNVCQBSGUAFM-MRVPVSSYSA-N	304.318	1.233	50	20	DDGD	
COC(=O)CSCCC(=O)NNc1ccc(F)c(F)c1	885110408	BFYPSNSSEZXDLP-UHFFFAOYSA-N	304.318	1.704	50	20	DDGD	
COc1cccc(O)c1C=NNC(=O)CNC(=O)OC(C)(C)C	777900418	MOWDRRXKEUUFLK-UHFFFAOYSA-N	323.349	1.376	50	20	DDGD	
COc1cc(OS(=O)(=O)CCCCl)ccc1[N+](=O)[O-]	882142586	MYYFEISROWQQDB-UHFFFAOYSA-N	309.727	1.941	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCCOCC2)c1	776319544	LNDJAMYXAMLCLT-CYBMUJFWSA-N	302.334	1.071	50	20	DDGD	
CCOC(=O)[C@H](CC(=O)NNc1ccc(F)c(F)c1)C(C)=O	885113593	GCQOSDNXCHCYGG-SNVBAGLBSA-N	314.288	1.566	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NC[C@@H](C)N1CCN(C)CC1	1123885645	HZVICQPTZPVXQI-CYBMUJFWSA-N	323.416	1.396	50	20	DDGD	
CC(C)(C)N1CCC(NC(=O)NNc2ccc(C#N)cn2)CC1	887859498	JBRQEPHMBGUIHP-UHFFFAOYSA-N	316.409	1.842	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC(=O)N(C)C[C@H]1C	782879551	CWDUARZZBXZDRP-SECBINFHSA-N	312.801	1.041	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NNC(=O)c1cccc(F)n1	880770553	UDYAWMWLKYWBRY-SDBXPKJASA-N	317.324	1.071	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNc2ccnc(Br)c2)CO1	784529075	SCKKCORDKZDCFJ-YUMQZZPRSA-N	300.156	1.712	50	20	DDGD	
O=S(=O)(CBr)N[C@H](CCO)c1cccs1	782453570	HSQFUIPJVCDPBW-SSDOTTSWSA-N	314.226	1.443	50	20	DDGD	
CC1(C)OC[C@H](CNC(=O)NNc2cc(F)c(F)c(F)c2)O1	783266613	YNAPIIMECNRDRK-QMMMGPOBSA-N	319.283	1.882	50	20	DDGD	
Cc1nn(CC(=O)NNC(=O)CC(C)(C)C)c2ncccc12	894256134	YJRBGSMRDLWYQC-UHFFFAOYSA-N	303.366	1.323	50	20	DDGD	
Cn1nnc(CNC(=O)CCCC[C@@H]2CCSS2)n1	785574276	HPYZHBQEOIHWBH-SECBINFHSA-N	301.441	1.540	50	20	DDGD	
CCCN(CC)CCNC(=O)NNc1ncncc1Cl	780997361	JNGJZCQTVHVYAL-UHFFFAOYSA-N	300.794	1.488	50	20	DDGD	
O=C(COCc1nc2ccccc2s1)NN=c1cc[nH]cc1	780762052	WATAHMMTRPCJGT-UHFFFAOYSA-N	314.370	1.773	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(C#N)cn1)N(C)CC(F)(F)F	899661317	QRTYMFOJQNPTPB-QMMMGPOBSA-N	301.272	1.279	50	20	DDGD	
C[C@H]1C[C@H](NS(=O)(=O)CCl)CN1Cc1ccccc1	398049417	SKNRWABMKXKLPO-AAEUAGOBSA-N	302.827	1.765	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccncc1C(F)(F)F	794609171	QPRQJKYGZGPKFM-UHFFFAOYSA-N	304.297	1.395	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2cccc(Cl)n2)n1	797633698	QZQCFPZQHGSHSI-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)CCCC1CCOCC1)C1CC1	799289726	KKYXQXKNQNAKMI-NSHDSACASA-N	313.467	1.877	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)o1	794209065	DWMUDUOEVFOFSI-UHFFFAOYSA-N	322.280	1.881	50	20	DDGD	
COc1cc(NNC(=O)[C@H](C)S(C)(=O)=O)ccc1Cl	790181476	VTYRSGCIHVDUOG-ZETCQYMHSA-N	306.771	1.225	50	20	DDGD	
CC[C@@H](NNC(=O)c1cc(C)nc2ccccc12)C(=O)OC	790443597	DMVDPAYEQCSDFF-CYBMUJFWSA-N	301.346	1.729	50	20	DDGD	
Cc1ccc2cc(C=NNC(=O)N3CCN(C)CC3)ccc2n1	790176827	USOSLMJCNMQLSO-UHFFFAOYSA-N	311.389	1.834	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNc2nc3ccccn3n2)c(F)c1	791242563	SANWRDHXWCDUHH-UHFFFAOYSA-N	313.292	1.828	50	20	DDGD	
CN1CC[C@@H]2CN(C(=O)/C(C#N)=C\c3ccc(O)cc3)C[C@@H]2C1	793940913	UMZNECFMHAWNMY-KPBOLMEKSA-N	311.385	1.709	50	20	DDGD	
O=S(=O)(N[C@H](CO)C1CC1)c1ccc(CCCl)cc1	751419332	SVEDOIGVIMOWSZ-CYBMUJFWSA-N	303.811	1.517	50	20	DDGD	
Cc1cccc2nc(C(=O)NNC(=O)CC(F)(F)F)cn12	1317948577	ONDUXDGALHGWKN-UHFFFAOYSA-N	300.240	1.356	50	20	DDGD	
COc1cc(F)cc(NC(=O)C(=O)NCCSSC)c1	1322289205	NDCHKDLBJGPWJD-UHFFFAOYSA-N	318.395	1.900	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)Nc1ccc2scnc2c1	1325624119	BDEPKYDUOJJZOL-UHFFFAOYSA-N	319.390	1.449	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)nn1	1326008003	PFDKWIFPEBRLID-AXFHLTTASA-N	302.378	1.832	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1scnc1Br	1325377082	MVHBIMXNPDTQAS-UHFFFAOYSA-N	318.131	1.592	50	20	DDGD	
CN(C)[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ccccc1F	1321721327	QDVIZEWQAMNVFI-KBPBESRZSA-N	322.384	1.643	50	20	DDGD	
O=C(Cc1coc(-c2ccccc2)n1)NNc1ncncc1F	1324583198	ZTBZAURRVQQBBM-UHFFFAOYSA-N	313.292	1.957	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1cc(Cl)ccc1OC(F)F	1322295555	CPSHZHRFZFHUJK-UHFFFAOYSA-N	320.679	1.955	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)N[C@H]2C=CCCC2)cc1	1323794649	VNGJPRRDOLAAAY-LBPRGKRZSA-N	319.361	1.513	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@@H]2CCCCCN2)cc1	1336992377	AISBMVASPWOTRE-ZDUSSCGKSA-N	320.393	1.171	50	20	DDGD	
CCOc1ccc(Cl)c(NC(=O)NNC(=O)CCO)c1	1330790255	LYBTWUDQAGIQPW-UHFFFAOYSA-N	301.730	1.274	50	20	DDGD	
COC1(OC)CC(CNC(=O)NNC(=O)CC(C)(C)C)C1	1343108595	GSHHHRHKIXVLKT-UHFFFAOYSA-N	301.387	1.152	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)Nc1nc2ccccn2n1	1608483275	MBQKWQIXTRMZIJ-UHFFFAOYSA-N	312.289	1.576	50	20	DDGD	
Cc1ncc2n1C[C@@H](C(=O)NNc1cccc(C(=O)O)c1)CC2	1607988048	XZJUPXFJJHCNHY-LBPRGKRZSA-N	314.345	1.595	50	20	DDGD	
O=C(Cc1ccc(O)cc1)NNc1ccc(F)c(C(=O)O)c1	1608363647	ULUNCYLEXWSTBX-UHFFFAOYSA-N	304.277	1.915	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)N[C@H]2CCC[C@H]2CCO)cc1	1602127053	DKNYBDBHESZLEX-JSGCOSHPSA-N	321.377	1.491	50	20	DDGD	
C[C@H]1C(=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CO[C@@H]1C	1603953540	INIKQOALDKDZCK-RKDXNWHRSA-N	300.322	1.007	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)N[C@@H]1C[C@H]2[C@@H](C1)C2(F)F	1605820884	JQLYJOZVUFPMFN-ZFRGLUTLSA-N	312.276	1.450	50	20	DDGD	
O=C(O)[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)CCCCl	1602169269	IFNQWMPOYCTBDN-LLVKDONJSA-N	323.773	1.370	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)C[C@H]1CCCCO1	1607140719	YULXLTMXFVDWGK-LLVKDONJSA-N	308.334	1.796	50	20	DDGD	
Cc1cc([C@H](NC(=O)NNC(=O)C(=O)O)C2CC2)ccc1F	1607614302	GEIPMSHWCUEEQF-LLVKDONJSA-N	309.297	1.000	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CCC[C@H]1CC(=O)O	1600566257	UPYICIAHNXBENH-WCQYABFASA-N	319.361	1.582	50	20	DDGD	
O=C(NNc1cccc(F)c1)c1cc(-c2nn[nH]n2)ccc1F	1606861606	OTEAXDSHRLWIRH-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
NC[C@@H]1CCCC[C@H]1NC(=O)NNc1cccc(C(=O)O)c1	1601187153	QWCVXCYKRNZHDX-WCQYABFASA-N	306.366	1.528	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN[C@@H](C(=O)O)c1ccccc1Cl	1604833275	BUWQJPJYZYQLFG-YGOYTEALSA-N	312.753	1.512	50	20	DDGD	
O=C(O)c1sccc1OS(=O)(=O)CBr	1610875325	KGDVYXCYKPPUOW-UHFFFAOYSA-N	301.139	1.507	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNC(=O)[C@]2(C)CCCO2)c1	1611133248	QLWVPRVDKQPHJT-HNNXBMFYSA-N	306.318	1.023	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C(=O)O	1610051741	ASJCEBFYSPCCFU-SZVJIJLYSA-N	302.330	1.915	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)c(C)c1	1550696208	ITWAVRRECUZVIQ-GOEBONIOSA-N	317.389	1.317	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@@H]2C=NNC(=O)c2ccncc2)cn1	1552448615	VJVSHHCYBXXDCI-UKRRQHHQSA-N	313.361	1.699	50	20	DDGD	
CC(C)CC[C@@H](N)C(=O)NNC(=O)c1cccc(N(C)C)c1	1575560914	PDJCSPHTUWBYIM-CQSZACIVSA-N	306.410	1.277	50	20	DDGD	
CNNC(=O)[C@@H]1Cc2c(C)cccc2N1C(=O)OC(C)(C)C	1578744501	ISLGMKGHHLAMSW-ZDUSSCGKSA-N	305.378	1.912	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CC[C@@H](N)CC2)cc1F	1578872778	CCQZVRGHEQWGCO-AOOOYVTPSA-N	309.341	1.573	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2	1845164265	WINNZTCPICZCSR-NSHDSACASA-N	309.797	1.511	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1NC2	1580699239	IBQIFSXWOLZWKC-RAIGVLPGSA-N	322.434	1.009	50	20	DDGD	
CC1(C)OC[C@@H]2C[C@]21C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1590119907	VMCFBNWYDRPKKR-ZUZCIYMTSA-N	314.349	1.125	50	20	DDGD	
COc1cccnc1C(=O)NNc1cccc(C(=O)O)c1C	1599732304	JQJFFCZMJQXULU-UHFFFAOYSA-N	301.302	1.854	50	20	DDGD	
CO[C@@H]1CC[C@@H](NC(=O)NNc2ccc(F)c(C(=O)O)c2)C1	1599102446	MOIZYJCRFTWMLF-PSASIEDQSA-N	311.313	1.718	50	20	DDGD	
CCc1oc(C=NNC(=O)Cc2cccnc2)cc1C(=O)O	1597792873	KKTNVDBMGQIDTC-UHFFFAOYSA-N	301.302	1.628	50	20	DDGD	
O=S(=O)(CCCCCl)Oc1ccc(-c2nn[nH]n2)cc1	1593418930	VQVNOKGOLFTIAJ-UHFFFAOYSA-N	316.770	1.594	50	20	DDGD	
COc1cnc(C(=O)NNc2ccc(C)c(C(=O)O)c2)c(F)c1	1599722939	ACHAEAKZCJQBTM-UHFFFAOYSA-N	319.292	1.993	50	20	DDGD	
Cc1ccncc1C=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1592277710	VAQCJIPPCHELIW-UHFFFAOYSA-N	307.317	1.334	50	20	DDGD	
CC1(CNC(=O)NNc2ccc(C(=O)O)cc2F)CCNCC1	1594019454	FIHMWOKGMUELSW-UHFFFAOYSA-N	324.356	1.540	50	20	DDGD	
O=C(NN=Cc1sccc1C(=O)O)c1cn2c(n1)CCCC2	1776105396	DVQOWGBCUSKIPU-UHFFFAOYSA-N	318.358	1.743	50	20	DDGD	
CC(CC1(C(=O)O)CCC1)=NNC(=O)[C@@H]1CCN1C(C)(C)C	1776098442	LGINSTXYGGNTPO-LBPRGKRZSA-N	309.410	1.996	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=Cc2ccc(O)cc2O)c1	1776095020	ZLDKARGIXYCTGS-UHFFFAOYSA-N	300.270	1.560	50	20	DDGD	
CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cl)CC)C2	1795109657	WLKJONVPSNAQKR-LSCVPOLPSA-N	302.802	1.003	50	20	DDGD	
N#C/C(=C\c1ccc(OCCN2CCOCC2)cc1)C(=O)O	11884283	ZJVBEMPCIPDEFY-SDNWHVSQSA-N	302.330	1.389	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1ccccc1[N+](=O)[O-]	14562415	LWDUMSUOQGORKG-UHFFFAOYSA-N	313.313	1.907	50	20	DDGD	
CCOC(=O)N1CCC(C(=O)NNC(=O)c2ccccc2)CC1	17170696	GCFPFJIURPHPGT-UHFFFAOYSA-N	319.361	1.316	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccncc2)c1C	18102749	MNYHFHMUVXZACT-CYBMUJFWSA-N	313.357	1.927	50	20	DDGD	
C[C@H]1OCCN(C(=O)NNC(=O)c2ccc(C#N)cc2)[C@@H]1C	165946395	NOFAJPBQPLAHEI-GHMZBOCLSA-N	302.334	1.022	50	20	DDGD	
O=Cc1ccccc1OCC(=O)NNc1ccc([N+](=O)[O-])cc1	151204298	DRAVLSZMZSXLLN-UHFFFAOYSA-N	315.285	1.929	50	20	DDGD	
Cn1ncc(C(=O)NNc2cccc(C#N)c2)c1-n1cccc1	152334507	HVEKCOKYHNZGME-UHFFFAOYSA-N	306.329	1.839	50	20	DDGD	
CC(C)Nc1ccc(C(=O)NNc2ncccc2[N+](=O)[O-])cn1	153008328	RURQTUWLAPOQCS-UHFFFAOYSA-N	316.321	1.962	50	20	DDGD	
COc1ccc(F)cc1C(=O)NNc1ncccc1[N+](=O)[O-]	153214848	QOJJGXXTKSYENT-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2CCCO2)c(-c2cccs2)n1	153501431	RASBMAJLQANFOB-JTQLQIEISA-N	320.374	1.089	50	20	DDGD	
C[C@@H](C(=O)NNc1ccncc1Cl)N1CCSCC1	153758880	YUGIHOIALWKZBJ-VIFPVBQESA-N	300.815	1.615	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1cc2ccccc2oc1=O	156330243	KESXUBGEJHPPTE-UHFFFAOYSA-N	322.284	1.216	50	20	DDGD	
CS[C@H](C)CC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	155499472	FSUUYTQBZXOXMQ-ZJUUUORDSA-N	314.382	1.882	50	20	DDGD	
O=C(NNC(=O)C1CCCCC1)c1n[nH]c(=O)c2ccccc12	6928772	UNNIZHYHZGYUGU-UHFFFAOYSA-N	314.345	1.264	50	20	DDGD	
CCCNC(=O)CN(CCC)C(=O)NNC(=O)c1ccccc1	56381358	JSOVCOLBVLGQFP-UHFFFAOYSA-N	320.393	1.279	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CNC(=O)c1ccco1)c1ccsc1	119139062	CSFQZVLJFQLWBW-VIFPVBQESA-N	321.358	1.022	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@H]1CC(=O)N(CC)C1)c1ccccc1	110344268	WSXIJWPSIPKMNI-UONOGXRCSA-N	317.389	1.196	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCc2ccccc2O)n1C	106288189	UUATZYWDXIUDCU-UHFFFAOYSA-N	301.346	1.433	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2cscn2)c1	103187021	YXIHDESQKYVZIL-UHFFFAOYSA-N	306.347	1.025	50	20	DDGD	
CC[C@H](C)NC(=O)[C@H](C)NC(=O)NNc1nc(C)cc(C)n1	68632954	QUBYJMAXMNUSKP-KWQFWETISA-N	308.386	1.023	50	20	DDGD	
C[C@]1(COC(=O)c2ccn3nnnc3c2)C[C@H]1Br	1263537015	JBWOIYAIVCHVRG-LDYMZIIASA-N	311.139	1.455	50	20	DDGD	
C[C@]1(C(=O)NCc2cccc(O)c2O)C[C@H]1Br	1263894294	ADAXWUHNUPWSJZ-SKDRFNHKSA-N	300.152	1.888	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccccc1O)Cc1ccccc1	64458300	VRNFCRDZOGJYSJ-UHFFFAOYSA-N	313.357	1.285	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H](C(=O)NNC(=O)C(C)(C)C)C2	119527922	QWFQAUYPBTYAFK-NSHDSACASA-N	306.362	1.440	50	20	DDGD	
O=C(NCCOc1cccnc1)NNc1cccc([N+](=O)[O-])c1	114603008	VGPDGCHGJLGZQS-UHFFFAOYSA-N	317.305	1.695	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1ccccc1OC(F)F	118320594	CHWXFUPKRKHMIF-UHFFFAOYSA-N	315.320	1.961	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1ccc([N+](=O)[O-])cc1F	65148659	OWXRFVOPSFKCDE-UHFFFAOYSA-N	322.252	1.471	50	20	DDGD	
C=CCN(CC=C)[C@@H](CNC(=O)NNc1cccnn1)C(C)C	172445630	SIEPVOIOWFHRMH-AWEZNQCLSA-N	318.425	1.801	50	20	DDGD	
Cc1cccc(NC(=O)NNC(=O)CCc2ccccc2O)n1	123273227	MEVMCTCXQAOKMR-UHFFFAOYSA-N	314.345	1.881	50	20	DDGD	
COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C2CCC(Cl)CC2)C1	1347717083	OALOPVNWPOHKAH-RSJDFQLWSA-N	303.786	1.166	50	20	DDGD	
O=C(NNC(=O)c1cnc(-c2ncccn2)s1)c1ccc[nH]1	123916330	PIMLZQNRGHGSMQ-UHFFFAOYSA-N	314.330	1.003	50	20	DDGD	
O=C(CCCNC(=O)c1ccsc1)NNc1ncc(F)cn1	123220164	YLKNPYHPGYZNNA-UHFFFAOYSA-N	323.353	1.331	50	20	DDGD	
Cc1ccc(O[C@H](C)CNC(=O)NNc2cccnn2)cc1	75308257	JDISHDYOUBPIMG-GFCCVEGCSA-N	301.350	1.879	50	20	DDGD	
C=CCc1cc(C(=O)NNc2cccnn2)cc(OC)c1OC	77035108	FSHMIPNSKZYBFR-UHFFFAOYSA-N	314.345	1.979	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cn1	32153257	YOGXHUBLOAZMIS-UHFFFAOYSA-N	318.764	1.876	50	20	DDGD	
CC[C@@]1(C)CN(C(=O)NNC(=O)c2ccc(C#N)cc2)CCO1	187936709	NJTHBNWWLXJQET-INIZCTEOSA-N	316.361	1.414	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@H](C)N2CCC[C@@H](C)C2)n1	181274034	MOFJTYJZFFHELF-OLZOCXBDSA-N	321.425	1.837	50	20	DDGD	
O=C(NNc1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	181370428	JMXGFKGFBSKICA-UHFFFAOYSA-N	318.264	1.816	50	20	DDGD	
CCc1[nH]c(C(=O)NNc2ccnc(F)c2)c(C)c1C(=O)OC	182418832	WPGKDTJRFNLNBA-UHFFFAOYSA-N	320.324	1.963	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(F)cc2)c2c(=O)[nH]n(C)c2n1	42039904	YPDZEGGMFJHTQR-UHFFFAOYSA-N	315.308	1.466	50	20	DDGD	
CC(C)(C)C(=O)NCCNC(=O)/C(C#N)=C\c1ccc(O)cc1	194502418	GQLLEAZHHAPJMG-RAXLEYEMSA-N	315.373	1.578	50	20	DDGD	
Cc1cc(F)cc(NC(=O)C(=O)NNc2ccnc(F)c2)c1	190306197	JYBPNEXXXZWJIJ-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)Nc1cnn(CC2CC2)c1	192294135	MEGJNDGIJGWTPP-UHFFFAOYSA-N	312.337	1.484	50	20	DDGD	
C[C@H](CNC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br)C1CC1	1347941303	PHSRXRGDMGSOLG-DVYJOKAKSA-N	317.227	1.438	50	20	DDGD	
COc1ccc(COCCNC(=O)NNc2ccccn2)cc1	93142796	FHGAZSXHDWNJPH-UHFFFAOYSA-N	316.361	1.933	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1csc(Br)c1	97150825	LCHPYBZZHGVQBF-UHFFFAOYSA-N	314.164	1.914	50	20	DDGD	
O=C(NN=Cc1ccc(O)c(O)c1)[C@@H]1COc2ccccc2O1	254516561	WQUVDUXLFXZBEL-HNNXBMFYSA-N	314.297	1.388	50	20	DDGD	
COC(=O)C[C@@H]1CCCN1C(=O)NNC(=O)c1ccccc1C	269366638	RGMXLXMXTHQTDM-LBPRGKRZSA-N	319.361	1.377	50	20	DDGD	
C[C@@H](CCNC(=O)NNC(=O)c1cnn(C)c1)c1ccccc1	265384172	GICFUSJOMZAHHK-LBPRGKRZSA-N	315.377	1.558	50	20	DDGD	
COc1ccc(C(=O)CCC(=O)NNC(=O)NC2CC2)cc1F	267554732	FAWNFZBVVOMCGF-UHFFFAOYSA-N	323.324	1.290	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1ccc(Cn2cncn2)cc1	269589608	RYVCCNKGFYLKFN-XNTDXEJSSA-N	311.345	1.387	50	20	DDGD	
CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NNc1cnccn1	265158065	LWGLURRKCMXDNK-SNVBAGLBSA-N	323.422	1.257	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)n1	266918912	BPPZWFODNJAHNF-MVWJERBFSA-N	321.381	1.233	50	20	DDGD	
C[C@@H](CC(=O)NNc1nccn(C)c1=O)c1ccc(F)cc1	267269431	ZAOTYFPGNGLFTO-JTQLQIEISA-N	304.325	1.556	50	20	DDGD	
CCc1c(C(=O)NNC(=O)OC)nnn1Cc1ccc(F)cc1	278797543	XUGUVKRTHDHOLJ-UHFFFAOYSA-N	321.312	1.029	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NN[C@H](CC)C(=O)OC)cc1	279673359	DPLODJBTJZLZKK-SMDDNHRTSA-N	324.377	1.425	50	20	DDGD	
CCCC[C@@H](NNC(=O)COc1ccccc1C#N)C(=O)OC	270579535	PRPSKJIKWWXRGE-CYBMUJFWSA-N	319.361	1.290	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1C1CC1)c1cccc2ncccc12	279058177	PXXHJYICNMPBRA-INIZCTEOSA-N	324.384	1.623	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)[C@H]1CCCCS1	272963849	MDRFUPJAQMKTCN-CYBMUJFWSA-N	308.403	1.636	50	20	DDGD	
NC(=O)CCCC(=O)NNc1ccccc1Br	279763874	FFHBWSKJNKLVPX-UHFFFAOYSA-N	300.156	1.548	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	275429547	ASBCZQMNRIGWIS-XZHRJIJLSA-N	323.393	1.946	50	20	DDGD	
CCCC[C@H](C)C(=O)NNC(=O)Cc1cn2ccccc2n1	281966711	REVJCVXWFLNDEQ-LBPRGKRZSA-N	302.378	1.851	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1cccc(N2CCCC2=O)c1	280234568	MFEMYEQQLOFVHJ-UHFFFAOYSA-N	318.377	1.048	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)C2(O)CCC2)c1	283725928	WIVHFYIABVMPAC-UHFFFAOYSA-N	313.741	1.416	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1ccccc1N1CCOCC1	804773784	PUAAORJGOZRYBR-UHFFFAOYSA-N	316.336	1.814	50	20	DDGD	
C[C@H](Oc1ccccc1)C(=O)NNC(=O)N=c1cc[nH]cc1	802033234	OYBMYTGIOMOAQW-NSHDSACASA-N	300.318	1.124	50	20	DDGD	
COC(=O)Cc1occ(C)c1C(=O)NNc1cc(C)nc(C)n1	290540887	QNFAZETWPVXMOI-UHFFFAOYSA-N	318.333	1.467	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1cc2c(cc1Cl)CCC2=O	800831099	QLESMMCDKGENBV-UHFFFAOYSA-N	316.766	1.188	50	20	DDGD	
COCCOc1cncc(C(=O)NNc2ncccc2Cl)c1	801619488	BXBCOWULZIRRQZ-UHFFFAOYSA-N	322.752	1.912	50	20	DDGD	
COc1cc(CC(=O)NNc2nnc(C3CC3)s2)ccc1O	295000866	RMIOBACZKZOUSR-UHFFFAOYSA-N	320.374	1.816	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncncc1F)C(=O)N1CCCC[C@H]1C	292840363	YJSPVXWQKYUECW-NXEZZACHSA-N	324.360	1.031	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](SCC)C(C)C	807371438	LYQYJUSKSQUMND-NSHDSACASA-N	320.455	1.701	50	20	DDGD	
COC(=O)c1cccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)c1	296817609	ZEHATFJKSIDUDB-LBPRGKRZSA-N	321.333	1.195	50	20	DDGD	
Cc1ccccc1-n1cc(C=NNC(=O)c2ccccn2)nn1	807942949	ZJVORWRHBCBMRA-UHFFFAOYSA-N	306.329	1.735	50	20	DDGD	
C[C@@H]1CC(=O)N[C@H](C(=O)NNc2ccc3c(O)nccc3c2)C1	294787163	UWHFDSSRFLZBJB-ZANVPECISA-N	314.345	1.298	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(-c3cc[nH]n3)s2)O1	293954100	QKQMCXUASAISTK-WPRPVWTQSA-N	320.374	1.467	50	20	DDGD	
CSc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)CC2CC2)c1	294097423	JAGOXZRGBZZPHA-UHFFFAOYSA-N	309.347	1.878	50	20	DDGD	
Cc1[nH]c2ccnn2c(=O)c1CC(=O)N(C)CC(Cl)Cl	808248931	UEUUJJHAISWMMT-UHFFFAOYSA-N	317.176	1.136	50	20	DDGD	
COC[C@@H](C)OC(=O)/C(C#N)=C\c1ccc(OCC(=O)O)cc1	298570086	BOZFWOOGCUYSGJ-NUBYWOLOSA-N	319.313	1.635	50	20	DDGD	
COCCOc1ccc(NC(=O)NNC(=O)[C@@H]2CCCO2)cc1	292787071	XOEQNWDYXWIHAQ-ZDUSSCGKSA-N	323.349	1.044	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1	297246649	VCGSLDRSKHLUSR-UHFFFAOYSA-N	322.321	1.250	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@](C)(OC)C1CC1	290940763	KQVAWLVEBOTWSZ-INIZCTEOSA-N	322.361	1.037	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@H]1CCCc2ccccc21	299379881	NJQDQMJWYXKQLC-AWEZNQCLSA-N	303.362	1.180	50	20	DDGD	
O=C(Cc1ccc(F)cc1Cl)NNC(=O)[C@@H]1CCCCO1	295268377	BQUBSKGHIRWKIE-LBPRGKRZSA-N	314.744	1.738	50	20	DDGD	
CC#CC(=O)NNC(=O)c1ccc(OC)c(Br)c1	801155405	UQYHNRKRWVYJOC-UHFFFAOYSA-N	311.135	1.242	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2cnccc2C#N)c1	805156279	OSONDMQCARCGGD-UHFFFAOYSA-N	324.340	1.410	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1nccnc1C1CCC1)C(C)C	805463115	YUNQZEFLBGMHJF-GFCCVEGCSA-N	305.382	1.348	50	20	DDGD	
CCc1ccc2c(c1)C(=NNC(=O)N=c1cc[nH]cc1)C(=O)N2	815003692	GGTGSQBSOBEHOJ-UHFFFAOYSA-N	309.329	1.544	50	20	DDGD	
O=C(Cc1nsc2ccccc12)NNC(=O)[C@H]1CCCCO1	819542885	AAOYOBNFKQUHPI-GFCCVEGCSA-N	319.386	1.555	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cnn(-c3ccccn3)c2N)cc1	815851457	HPZHSDXOLWRKQB-UHFFFAOYSA-N	319.328	1.478	50	20	DDGD	
C[C@H]1SCCC1=NNC(=O)c1ccc(-n2cnnn2)cc1	814756515	PBQPITMQALIDEA-SECBINFHSA-N	302.363	1.274	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=Cc2cc(CO)ccc2O)c1	814732526	PVLSRSDAAABDEZ-UHFFFAOYSA-N	313.357	1.714	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@H]1CCCc2nn[nH]c21	816918413	ZVYKJAAGNFTPRH-QMMMGPOBSA-N	302.294	1.276	50	20	DDGD	
CCCNC(=O)NNC(=O)COc1ccc(Cl)c(F)c1	815122717	OWKVKQQMRWWRKZ-UHFFFAOYSA-N	303.721	1.598	50	20	DDGD	
COc1cc(C(C)=NNC(=O)c2cccc(N(C)C)c2)on1	814732517	PFLMRYVVLINHMY-UHFFFAOYSA-N	302.334	1.903	50	20	DDGD	
O=C(CNC(=O)Nc1ccccc1)NNc1cccc(Cl)n1	817010984	AORVJGMRGNBFDP-UHFFFAOYSA-N	319.752	2.000	50	20	DDGD	
N#Cc1ccsc1NC(=O)C(=O)NNc1ccc(F)cc1	815557886	IRUCJBSZSIQXGW-UHFFFAOYSA-N	304.306	1.841	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@]2(C)CC2(F)F)c1	817426397	ZBQSRDYEVCGABB-CYBMUJFWSA-N	314.288	1.510	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)C[C@H](C)COC1CCCC1	815033894	WVXCRDAVSDBOBF-LLVKDONJSA-N	321.443	1.077	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)c1cccc2ncccc12)C1CCC1	813444967	XCCHAGZVACFNGH-QGZVFWFLSA-N	313.357	1.547	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CC(Oc3ccncc3)C2)cn1	823050736	JFNGXYMTWZCJEE-MLPAPPSSSA-N	309.329	1.012	50	20	DDGD	
CC(=O)NNC(=O)c1ccc(OCC(F)(F)C(F)F)nc1	729510121	TUZKEGUEPWRQMP-UHFFFAOYSA-N	309.219	1.142	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C\c1ccc(F)c(-c2nn[nH]n2)c1	826379299	ODZXBWPUVPFNHJ-OQFOIZHKSA-N	306.264	1.173	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CN2CCCC2)c(Cl)c1	822759921	BBMIDGURSRHLKH-UHFFFAOYSA-N	310.785	1.897	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1	728171977	NXKJUTJBAJKSQB-HNNXBMFYSA-N	314.389	1.721	50	20	DDGD	
CN(NC(=O)[C@H]1CCO[C@@H]1CNC(=O)OC(C)(C)C)C1CC1	496942699	JCQHKVCQXPPDFS-NWDGAFQWSA-N	313.398	1.042	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc2[nH]c3c(c2c1)CN(C)CC3	823798248	BSOXKJRJZDLCDH-UHFFFAOYSA-N	315.377	1.120	50	20	DDGD	
C#CCO[C@H](C)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	822197361	XQXZZIUXFXZWDV-SFCYXTAJSA-N	304.390	1.389	50	20	DDGD	
Cn1nc(CC(=O)NNC(=O)OC(C)(C)C)c2ccccc21	496219276	QXBDLVWZKHLDSL-UHFFFAOYSA-N	304.350	1.672	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H]2CCN(Cc3ccccc3)C2=O)cc[nH]1	827029850	APPZONZGFJFVLV-MRXNPFEDSA-N	324.384	1.304	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(N=S(C)(C)=O)cc1	821498783	RPDFSTVOFQOIEN-UHFFFAOYSA-N	300.340	1.438	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=C1COc2ccccc21	496241453	BIYJWXFSXODVNI-UHFFFAOYSA-N	305.334	1.424	50	20	DDGD	
O=C(/C=C/[C@H]1CCOC1)NNC(=O)NCCc1cccs1	493788036	LKVWQRVMVYNRNL-UFFNRZRYSA-N	309.391	1.214	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(OC)c(OC(F)F)c1	823847590	YIQGTPUKYDEMRP-UHFFFAOYSA-N	304.293	1.256	50	20	DDGD	
CN(C)CC1(C(=O)NNC(=O)Nc2ccc(Cl)cc2)CC1	822759889	AAIWWCCXBNCALI-UHFFFAOYSA-N	310.785	1.835	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CSc1nccc2ccccc12	823947084	SIORJLUBRKTTRR-NSHDSACASA-N	305.403	1.671	50	20	DDGD	
C[C@@H]1CC(=O)Nc2ccc(C(=O)NNC(=O)C3CC3)cc2N1	905089305	GDYQLBXJPQMJNU-MRVPVSSYSA-N	302.334	1.000	50	20	DDGD	
CCSCC[C@@H](C)N(C)C(=O)c1ccc(B(O)O)c(F)c1	584954200	JHJGGWJYCFOSPW-SNVBAGLBSA-N	313.203	1.109	50	20	DDGD	
CC(Cc1ccncc1)=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	820299219	FACKIPAKYCGMMJ-UHFFFAOYSA-N	321.344	1.610	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CCc2ccc(F)cc21	825947182	HBKOZVJYXRKEBR-DUFXMDAXSA-N	321.352	1.568	50	20	DDGD	
CS(=O)(=O)CCCCNC(=O)NNc1ccc(F)cc1	824747352	HNXUDCUHVLLLDU-UHFFFAOYSA-N	303.359	1.277	50	20	DDGD	
COCCN(C)NC(=O)C[S@](=O)c1ccc(Cl)cc1	908114502	HFLSKGNHWGDOQP-IBGZPJMESA-N	304.799	1.057	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@@H](C)C1CCN(C(=O)OCC)CC1	495539644	HMLKKTFEBBZJND-PBBNAPBQSA-N	323.393	1.804	50	20	DDGD	
CC(C)C(=O)NNC(=O)CSc1ncnc2ccccc12	828545224	ONIWPBNQLHAGHN-UHFFFAOYSA-N	304.375	1.525	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1=CCCCO1	826445486	WPSDBRNNYJLHIR-UHFFFAOYSA-N	321.728	1.053	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@](C)(CO)C2CCCCC2)cn1	491161118	NSIVZIDIIMUGPX-LEHPZIBWSA-N	316.405	1.775	50	20	DDGD	
C[C@H](C=NNC(=O)c1ccnnc1)CNC(=O)OC(C)(C)C	495897407	LMLLZNZOVKOBBF-JTQLQIEISA-N	307.354	1.353	50	20	DDGD	
CC(C)COc1ccc(C=NNC(=O)C(=O)NC2CC2)cc1	730144792	HOZSTXGJGRVJIJ-UHFFFAOYSA-N	303.362	1.450	50	20	DDGD	
CN(C/C=C/C(=O)NNc1ncccc1F)CC(F)(F)F	493866098	AQYPBGUASXKCJJ-HWKANZROSA-N	306.263	1.714	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc2scnc2c1	495408311	QRWSGXRSYDINEU-UHFFFAOYSA-N	308.319	1.012	50	20	DDGD	
COc1cccc([C@H](C)NCc2ccc(B(O)O)cc2F)c1	585016981	GTNFHBBXXDREDQ-NSHDSACASA-N	303.142	1.365	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)NNC(=O)C(C)(C)c1ccccc1	906624048	BOLCBOSUBPJQEY-CYBMUJFWSA-N	317.389	1.123	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)CCCC(=O)O	738922048	CQJWYNQVBMBHCI-UHFFFAOYSA-N	301.774	1.676	50	20	DDGD	
CCC[C@@H](C(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccn1	833237032	XLBYIJWJRZJLIU-OCCSQVGLSA-N	305.378	1.682	50	20	DDGD	
O=C(NNC(=O)c1cncs1)c1cnn(-c2ccccc2)c1	733110720	QQLUZWYGVVTGKJ-UHFFFAOYSA-N	313.342	1.404	50	20	DDGD	
C=CC(C)(C)CNC(=O)NNC(=O)c1cccc(N(C)C)c1	836590596	AKSABFUUHNHILK-UHFFFAOYSA-N	304.394	1.909	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)NCCS(C)(=O)=O	836366768	RAVXZOLDBADISR-UHFFFAOYSA-N	305.787	1.319	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)C(=O)NNc1cccc([N+](=O)[O-])c1	837489666	YYMBBPKDRLQEOG-SNVBAGLBSA-N	303.322	1.650	50	20	DDGD	
CC[C@H](C(=O)NN=C1CCCS(=O)(=O)C1)c1ccccc1	731930564	CNTRRALGOUOZSR-AWEZNQCLSA-N	308.403	1.861	50	20	DDGD	
O=C(CCC(=O)N1CC[C@@H](B(O)O)C1)c1ccc2c(c1)CCC2	585076762	ZBJJCOGZYNIOEV-OAHLLOKOSA-N	315.178	1.214	50	20	DDGD	
CN(C)Cc1ccc(NCc2ccccc2B(O)O)c(F)c1	585046027	LMBYTHVRXHZIME-UHFFFAOYSA-N	302.158	1.179	50	20	DDGD	
C/C(=C(\F)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)C1CC1	908280713	QQKQLTSASCXRIX-LWMMSDEHSA-N	304.387	1.132	50	20	DDGD	
C[C@H](NC(=O)[C@]1(C)C[C@H]1Br)[C@@H](C)N1CCOCC1	906584694	WCQFWKHEKUFXMQ-SBFPOUOMSA-N	319.243	1.385	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1	730579082	ZFISMZAYUQINMS-NSHDSACASA-N	314.794	1.615	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21)c1cccc2ncccc12	906603450	ZFMFGDDYPGTOAM-BYCMXARLSA-N	309.325	1.221	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(Cl)cc1Cl	839472679	GDYZCTIPBKHTMJ-VXNVDRBHSA-N	318.116	1.420	50	20	DDGD	
COCC(CC(C)C)=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	736976626	GTFPIJPNGKWWDB-UHFFFAOYSA-N	316.365	1.645	50	20	DDGD	
CC(C)(CC(=O)NNC(=O)c1cc2c(s1)CCC2)C(=O)O	734506564	WLCZPHLLPFXLIO-UHFFFAOYSA-N	310.375	1.499	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H](C)c2ncnn2C)cc(C#N)n1C	834305804	HJULLNOGJFZMMC-ASOMJZDJSA-N	323.360	1.118	50	20	DDGD	
CCn1cc(Br)cc1C(=O)NNC(=O)C1CCC1	732142447	BVEIMMWKNRNVNR-UHFFFAOYSA-N	314.183	1.832	50	20	DDGD	
CCC(=O)N1CCC(=NNC(=O)COCc2ccccc2)CC1	737439238	XPWDFWXPUFMPHR-UHFFFAOYSA-N	317.389	1.708	50	20	DDGD	
C[C@@H](c1ccccc1)N(C(=O)c1cccc(B(O)O)c1)C1CC1	584990015	YYVQNUMLMQGMJK-ZDUSSCGKSA-N	309.174	1.732	50	20	DDGD	
CCN(CC)C(=S)S[C@@H](C)C(=O)NNC(=O)CC(C)C	734979347	CFCUCPRYQJJFGP-JTQLQIEISA-N	319.496	1.928	50	20	DDGD	
C[C@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)C1CCCC1	918564596	CVJZKKMODSKRIO-NSHDSACASA-N	309.410	1.409	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2=COCCO2)c2ccccc2n1	917365384	JEAUGGVJTFPQJG-UHFFFAOYSA-N	313.313	1.192	50	20	DDGD	
O=C(CNC(=O)NCc1ccc(F)cc1)NCC(Cl)Cl	837651395	QQFVAKIFSCCZGN-UHFFFAOYSA-N	322.167	1.545	50	20	DDGD	
COc1c(O)ccc(C=NNC(=O)NCC2CC2)c1[N+](=O)[O-]	834945582	SIUYPJITWBOSMK-UHFFFAOYSA-N	308.294	1.352	50	20	DDGD	
O=C(Cc1cccc(C(=O)O)c1)NNc1ccc(Cl)nn1	833765739	KKVGXUPWMJBVID-UHFFFAOYSA-N	306.709	1.514	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1ccc(Cl)c(Cl)c1O	833384217	FOUYIHPNBNBWRT-UHFFFAOYSA-N	320.132	1.807	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H]2CC[C@H](C)O2)c1	838745915	QZFARFWPPONBBM-GXFFZTMASA-N	307.350	1.667	50	20	DDGD	
CC(C)CCn1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n1	831560425	XQQOFQBIQBHORU-NEPJUHHUSA-N	323.397	1.507	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@]1(C)CCCCO1	839482434	BQUKRWKZYADAKB-INIZCTEOSA-N	321.377	1.214	50	20	DDGD	
C[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)CC2(CCCC2)O1	830854119	LJLMLLALZPJAQZ-LBPRGKRZSA-N	311.426	1.213	50	20	DDGD	
CCN(CCO)NC(=O)[C@H]1CC(c2cc(C)ccc2C)=NO1	911441572	ZTWVZKYIHDCJQM-OAHLLOKOSA-N	305.378	1.142	50	20	DDGD	
Cc1nc(SCC(=O)NN(C)C[C@@H](C)O)c(C#N)c(C)c1C	910177478	MKSINLGEJYUKCV-SECBINFHSA-N	322.434	1.314	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)CC(F)(F)F)C12CCC2	745852253	ANQNZXNAZPYIDS-RKDXNWHRSA-N	323.315	1.617	50	20	DDGD	
COc1ccnc(C=NNC(=O)[C@H](C)CN2CCC(C)CC2)n1	842521133	CTJFYJBLYGXKOU-CYBMUJFWSA-N	319.409	1.303	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccc(N(C)C)c1)c1cnn(C)c1	749875278	WZMFHMHDSZJYHY-NSHDSACASA-N	315.377	1.051	50	20	DDGD	
Cc1nc(C(C)C)ccc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843656968	BPQVELWWPBCBNB-YPMHNXCESA-N	305.378	1.699	50	20	DDGD	
O=C(CCn1cccc1)NNC(=O)Cn1cnc2ccccc21	746094045	RAEBNARAVGCVHW-UHFFFAOYSA-N	311.345	1.076	50	20	DDGD	
Cn1ccnc(NNC(=O)COc2cccc3ccccc23)c1=O	747941775	GANNPHQTKOWKBT-UHFFFAOYSA-N	324.340	1.456	50	20	DDGD	
COC/C(C)=C\C(=O)NNc1cccc(Br)n1	846252564	ZZOYSYDANFGQGO-VURMDHGXSA-N	300.156	1.880	50	20	DDGD	
O=C(/C=C\[C@@H]1CCOC1)NNc1cc(O)nc2ncccc12	913988530	ZYIGHBHMIWBKTQ-UMBAGQNISA-N	300.318	1.371	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2	844416072	XOIYNNRTEZSIHC-VNHYZAJKSA-N	324.384	1.627	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc(CO)cc1	913156791	XLXBMIWKTZJHDZ-UHFFFAOYSA-N	318.760	1.836	50	20	DDGD	
CC(C)(CCNC(=O)NNc1ncccc1F)S(C)(=O)=O	841589229	FVILWJKMDJCFOT-UHFFFAOYSA-N	318.374	1.060	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1cccc(N(C)C)c1)n1ccnc1	844279773	FSOJDPNPDOZXFV-GFCCVEGCSA-N	315.377	1.361	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(Cl)ccc1OC(F)F	910162084	CUABTVHSZRXHJA-SSDOTTSWSA-N	308.712	1.899	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCSC[C@@H]1C1CCC1	842170373	FJNKOUCABLBOKC-GFCCVEGCSA-N	313.467	1.397	50	20	DDGD	
NS(=O)(=O)Cc1ccc(C(=O)NNc2ccccc2F)cc1	748056295	QVCLMRQJJVJSNF-UHFFFAOYSA-N	323.349	1.371	50	20	DDGD	
C[C@@H](CCN)NS(=O)(=O)c1ccc(CCCCl)cc1	842790604	KPPYUQJTUVMMKL-NSHDSACASA-N	304.843	1.874	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@H]2CS[C@@H](C)C2)cc1	840413258	GAAMCWQODLDRTG-GXSJLCMTSA-N	324.406	1.925	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)CCOc2ccccc2)CS1	840416891	NODGUOMOMCVBKO-NEPJUHHUSA-N	323.418	1.680	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)COc2ccc(C#N)cc2)CCN1C	741457618	ODJPFWLSRFXINR-GFCCVEGCSA-N	300.362	1.523	50	20	DDGD	
O=C(NNc1ncccn1)c1noc(-c2cccc(F)c2)n1	746115879	BVBXCSILZXXBDH-UHFFFAOYSA-N	300.253	1.423	50	20	DDGD	
COCC1(C(=O)NNc2nc3ccccc3n2C)CCOCC1	848380614	LOZQSXZOYYGYRQ-UHFFFAOYSA-N	318.377	1.460	50	20	DDGD	
O=C(NNC(=O)c1ncccn1)Nc1nc(C2CCC2)cs1	841706373	DUOJTLIIZRILQG-UHFFFAOYSA-N	318.362	1.667	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cc(C#N)ccc2C)n1	929308253	DCOBJWUSRCKJFY-UHFFFAOYSA-N	311.345	1.141	50	20	DDGD	
C[C@H]1COC(=O)C1=NNC(=O)CSc1ccccc1[N+](=O)[O-]	842568682	YZGUDCLACHFBEJ-QMMMGPOBSA-N	323.330	1.352	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@@H](C)[C@H](C)S(C)(=O)=O	855369548	PSIFFGMJBIOCQL-UWVGGRQHSA-N	302.371	1.646	50	20	DDGD	
C=C[C@@](C)(O)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	854197093	XWMLXRWAQWGBHD-XPSVCEGCSA-N	306.406	1.677	50	20	DDGD	
CSCc1ccc(C(=O)NNc2ccc(C(N)=O)nn2)cc1	757401729	DYYWOJUMYPVWAE-UHFFFAOYSA-N	317.374	1.195	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1cccc(F)c1	750943286	HPPYKGADNHTUSB-UHFFFAOYSA-N	303.293	1.689	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccccc1OCC1CC1	756703211	FWZQYTCEDZFVBM-UHFFFAOYSA-N	307.350	1.665	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCCC1=NNC(=O)OCC(F)(F)F	853430416	IDNFXICINMMRET-MRVPVSSYSA-N	316.301	1.618	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@H](C)[C@@H]1CCO	852458312	FBPQHHOLKSBGEC-IHRRRGAJSA-N	313.442	1.051	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)/C=C/c1cccc(O)c1)C1CC1	855100139	VFSNSISQPJRSBF-YVFTVSHDSA-N	305.403	1.699	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1CN(C)C[C@@H]1c1ccccc1	858126087	RULUINYWRFPMRC-KGLIPLIRSA-N	318.446	1.013	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn(C)c2C(F)(F)F)o1	752778700	VVFGNFIUGCMVBH-UHFFFAOYSA-N	316.239	1.415	50	20	DDGD	
Cc1nnc(CCNC(=O)NNc2ccc(F)c(F)c2)s1	922514424	GWYBSYXNDUTWTM-UHFFFAOYSA-N	313.333	1.994	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1cc(-c2ccccc2)on1	756764325	FVYMQUCACISJKF-UHFFFAOYSA-N	324.300	1.598	50	20	DDGD	
CN(NC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21)c1ccccc1	856762681	ORMSPLLODLUMEK-RBSFLKMASA-N	301.390	1.849	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](c2ccccc2)[C@@H]1C	751500202	SYTXDMALYUOXJR-YDHLFZDLSA-N	303.406	1.810	50	20	DDGD	
C[C@]1(CN2C(=O)N[C@H](CC(F)F)C2=O)C[C@@H]1Br	925005618	NHTUFUDDYKYOLY-GOZTUDAPSA-N	311.126	1.736	50	20	DDGD	
O=C(NNC(=O)[C@@]12CCC[C@@H]1C2)[C@@H]1COc2ccccc2O1	929231557	KNNWINVTKLAVEJ-AKWBHNSASA-N	302.330	1.164	50	20	DDGD	
Cc1nnc(O)c(C(=O)NC[C@]2(C)C[C@@H]2Br)c1C	857401124	XUERLIJMCSTPCR-UFBFGSQYSA-N	314.183	1.702	50	20	DDGD	
CN(CCC1CCOCC1)C(=O)NNC(=O)c1cccc(F)n1	852708874	KEYMBBCJOABWCU-UHFFFAOYSA-N	324.356	1.324	50	20	DDGD	
O=C(NN=Cc1ccc2oncc2c1)[C@@H]1CN2CCC[C@@H]2CO1	853390808	NOGVWNBVOFPNEL-HIFRSBDPSA-N	314.345	1.141	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)CCCNC(=O)C(C)(C)C	853407822	XCAYNAXGMBOVQV-UHFFFAOYSA-N	321.425	1.375	50	20	DDGD	
C[C@@]1(CNC(=O)NCCCn2ccnc2)C[C@H]1Br	856717917	HHSQVDNVJPXLSD-PWSUYJOCSA-N	315.215	1.746	50	20	DDGD	
CN(C)C(=O)COc1ccccc1C=NNC(=O)NCC1CC1	920828702	PVXMLGBREFHWIK-UHFFFAOYSA-N	318.377	1.197	50	20	DDGD	
Cc1ccc([C@@H]2C[C@H]2C(=O)NNc2nnc(C)c(O)n2)cc1C	856793266	GVCQYBGSODPMRJ-QWHCGFSZSA-N	313.361	1.749	50	20	DDGD	
C[C@H]1CC(NC(=O)NNC(=O)c2cccc(F)n2)C[C@H](C)O1	852235602	UMKMSDCCZBLRGZ-IUCAKERBSA-N	310.329	1.121	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1	854922196	AKVZKTKVGSYXFK-YUMQZZPRSA-N	317.336	1.675	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)N[C@H]1CCc2c[nH]nc2C1	921446805	PWCOOLOHOSGLLD-VIFPVBQESA-N	307.304	1.872	50	20	DDGD	
Cc1cnc([C@H](C)N[C@H](C)C(=O)NNC(=O)CC(C)C)s1	755005063	CHDGGUKURGCOON-MNOVXSKESA-N	312.439	1.684	50	20	DDGD	
CC1(C)CN(C(=O)NC[C@]2(C)C[C@@H]2Br)CC[C@H]1O	856959502	VPHCAFWWWPWIHI-CWSCBRNRSA-N	319.243	1.962	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)c1ccc(Cl)cc1O	755640269	OSZMPOAQQKOYEF-QMMMGPOBSA-N	300.742	1.479	50	20	DDGD	
N#CSCCCNC(=O)c1cc(F)ccc1N1CCOCC1	854362604	UOQTVSYQZGQSDS-UHFFFAOYSA-N	323.393	1.996	50	20	DDGD	
COC[C@@H](N[C@@H](C)C(=O)NNC(=O)CC(C)C)c1ccco1	754339180	IQMAJWCLRSHJDU-NWDGAFQWSA-N	311.382	1.139	50	20	DDGD	
CC[C@@]1(C)CCN(CC(=O)NNC(=O)c2cccc(C)c2)C1	758742124	UGSHAHYUDCEQHS-KRWDZBQOSA-N	303.406	1.878	50	20	DDGD	
CCOCC(=O)NNC(=O)NC1(C(F)(F)F)CCCCC1	933427150	OVWAHHWLBGBCSZ-UHFFFAOYSA-N	311.304	1.619	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)c2cn[nH]c2)c(C)c1	858159935	KWYRFBBXFRSZNF-UHFFFAOYSA-N	301.350	1.213	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C\c1cc(C(F)(F)F)nn1C	853000928	IPSQSGOOCPJMLN-ZKUGPGMGSA-N	316.283	1.497	50	20	DDGD	
CCCN(NC(=O)c1ccn(COC)n1)C(=O)OC(C)(C)C	854431985	GLMLGXHHOUNICO-UHFFFAOYSA-N	312.370	1.779	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1ccc(OC)c(OC)c1)C1CC1	851935549	PIRILFRNQBJMHI-GFCCVEGCSA-N	321.377	1.836	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CCC2)cnc1Br	932516843	MLKADSBJZSJDFB-UHFFFAOYSA-N	312.167	1.714	50	20	DDGD	
O=C(NNc1cnccn1)[C@H]1CCN(C(=O)c2ccccc2)C1	860937028	NPGHZXUUGLNJFE-ZDUSSCGKSA-N	311.345	1.082	50	20	DDGD	
C[C@@H](NNC(=O)c1cncc(-c2cnn(C)c2)c1)C(F)(F)F	862312630	QANCGLKICUGCNF-MRVPVSSYSA-N	313.283	1.667	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2c3c(nn2C)CCCC3)n1	768154125	CRFSRSFGGWBNQW-UHFFFAOYSA-N	320.784	1.808	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNc3ncccc3C)(CC1)C2	760532468	UJBIMARTNZHVPP-UHFFFAOYSA-N	303.362	1.957	50	20	DDGD	
O=C(NN=C1CCc2ccc(Cl)cc21)C(=O)N1CCCC1	762450070	OJYMDZPRESXWCX-UHFFFAOYSA-N	305.765	1.729	50	20	DDGD	
COc1ccccc1SCC(=O)NN=C1C[C@H](C)N(C)C1	761271615	QQBVFGPHOORBIK-NSHDSACASA-N	307.419	1.984	50	20	DDGD	
O=C(COc1cccnc1)NNc1ncnc2ccsc12	766678881	SKEXRCCRIHNWBV-UHFFFAOYSA-N	301.331	1.608	50	20	DDGD	
CC(=O)N[C@H](CC(C)C)C(=O)NNc1nccnc1C1CCC1	861703126	GJWAXZPSPDIPPE-CYBMUJFWSA-N	319.409	1.738	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21	761787295	PXWBYVLZNRSWEJ-HLTSFMKQSA-N	309.288	1.227	50	20	DDGD	
COC[C@@](C)(NC(=O)NNC(=O)c1ccc(C)o1)C(F)(F)F	932331879	SYBLTZNBBHYMAO-LLVKDONJSA-N	323.271	1.499	50	20	DDGD	
C[C@@]1(C(=O)NNc2ccc(-n3ccnc3)nn2)C[C@H]2CC[C@H]1C2	861694039	HQZIDCCCPRGUKE-MQIPJXDCSA-N	312.377	1.932	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(C(F)(F)F)c(C)c1	763437463	CRKZLBKWQDUNFV-UHFFFAOYSA-N	317.267	1.510	50	20	DDGD	
C[C@@H](NNC(=O)C1(NC(=O)OC(C)(C)C)CC1)C(F)(F)F	862315623	YMEWXUWRYIFOKE-SSDOTTSWSA-N	311.304	1.615	50	20	DDGD	
COc1cc(C)cc(C(=O)NNC(=O)c2ccncc2)c1O	769568835	BCYGQZGTFKERPN-UHFFFAOYSA-N	301.302	1.179	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)nc1O	762841307	MFGZHGQDMPTBHG-SSDOTTSWSA-N	318.293	1.041	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2	769148186	XYNMNEJIEAWCGY-UHFFFAOYSA-N	318.377	1.660	50	20	DDGD	
C/C=C(\C)C(=O)NNC(=O)c1cc(-c2ccccc2OC)[nH]n1	763168055	OHVSWRNHMGXJFK-ONNFQVAWSA-N	314.345	1.813	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2	1118834952	GSFAONPODPHIGM-OAAXVMEWSA-N	322.796	1.904	50	20	DDGD	
CCS(=O)(=O)c1c(Cl)cccc1C=NNC(=O)C1CC1	774315506	CAZGRTXKMUHZLN-UHFFFAOYSA-N	314.794	1.994	50	20	DDGD	
COCc1nc(C(=O)NNc2ccc(C(F)(F)F)cc2)no1	775403078	LIUQYUSHVXIQPP-UHFFFAOYSA-N	316.239	1.992	50	20	DDGD	
CN(NC(=O)c1sccc1NC(=O)c1ccncc1)C(N)=O	778416132	ZWKSKRUYGZQNLM-UHFFFAOYSA-N	319.346	1.051	50	20	DDGD	
O=C(NNC(=O)c1ccncn1)c1cccc(OC(F)F)c1	777645940	ZKTNCEAJNDULHI-UHFFFAOYSA-N	308.244	1.153	50	20	DDGD	
Cc1cc(=NNC(=O)NCC[C@@H](C)N2CCCCC2)cc[nH]1	875486131	WBYQFJKBCNSYIC-CQSZACIVSA-N	305.426	1.703	50	20	DDGD	
CC[C@H]1[C@H](C)CCN1CC(=O)NNC(=O)c1ccc(C)cc1	775782365	FTXKVJRWZZSPCR-HIFRSBDPSA-N	303.406	1.876	50	20	DDGD	
COCCOc1ccc(NC(=O)NNc2ncc(F)cn2)cc1	775479065	BWZJDGIXRUGPKU-UHFFFAOYSA-N	321.312	1.790	50	20	DDGD	
Cn1ccc(C(=O)NNc2ccnc(Br)c2)cc1=O	771542692	ZCLZYUFGMGQKCC-UHFFFAOYSA-N	323.150	1.300	50	20	DDGD	
Cc1conc1NC(=O)NNc1cccc(S(C)(=O)=O)c1	1116478390	HGVZANGDRWYWHX-UHFFFAOYSA-N	310.335	1.535	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2coc(C(N)=O)c2)nn1	1116599186	MIEUXJSUKMPALX-UHFFFAOYSA-N	303.322	1.223	50	20	DDGD	
O=C(NNC(=O)c1nccs1)c1cccc(OC(F)F)c1	770424129	HKNYPJYHUZCAFG-UHFFFAOYSA-N	313.285	1.819	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H]2CCC(=O)C2)c1	873756279	HRTIAISQKYPTMR-LLVKDONJSA-N	305.403	1.990	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H]1CCN(Cc2ccccc2)C1	1118373413	QFXKRRWWVNIGNS-CQSZACIVSA-N	320.462	1.412	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H](C1CCCCC1)N(C)C	875071220	GWUOLMILDRVSEI-GFCCVEGCSA-N	300.403	1.409	50	20	DDGD	
O=C(CO)NN=C1C(=O)N(Cc2ccccc2)c2ccccc21	776780209	PTRGZOYJCYNFBM-UHFFFAOYSA-N	309.325	1.046	50	20	DDGD	
CCCC[C@@H](NC(N)=O)C(=O)NNc1nccnc1C(C)C	772843206	YZWSGHHYMHVORW-SNVBAGLBSA-N	308.386	1.270	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCCN1C[C@H](C)C[C@@H](C)C1	875074398	SNDRCOIKRODORU-VXGBXAGGSA-N	300.403	1.267	50	20	DDGD	
NC(=O)c1cn(CC(=O)NNc2ccccn2)c2ccccc12	777469541	XJGVBXADZCBPCX-UHFFFAOYSA-N	309.329	1.279	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc(F)c1	771890799	QVLCWDFSJRQIGB-SNVBAGLBSA-N	310.325	1.565	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(C)(C)C#N	772954068	OUOFXBLDRJFCKB-VIFPVBQESA-N	309.753	1.804	50	20	DDGD	
C[C@@H](c1ccccc1)[C@H](CO)NS(=O)(=O)CCCCl	881922964	XMFNNVFDKRFUKP-AAEUAGOBSA-N	305.827	1.699	50	20	DDGD	
C[C@H](C(=O)NNc1ccnc(Br)c1)n1cccn1	771540295	IKWNTNWURUTJTQ-MRVPVSSYSA-N	310.155	1.745	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](C(C)C)N1C[C@H](C)O[C@@H](C)C1	887142843	CGQXKMALAXKMIW-DZKIICNBSA-N	323.437	1.071	50	20	DDGD	
CN(C)C(=O)C1(NS(=O)(=O)CCCCl)CCCCC1	882233276	IJSFHOUJOMQOAC-UHFFFAOYSA-N	310.847	1.326	50	20	DDGD	
Cc1cccn2cc(CCNS(=O)(=O)CCCCl)nc12	881959291	IXTITXKSYIBHTG-UHFFFAOYSA-N	315.826	1.734	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)c2cccnc2)c1-c1ccccc1	775521564	RWFYSDJAVAGBGF-UHFFFAOYSA-N	321.340	1.557	50	20	DDGD	
C[C@@H]1C[C@H]2CC[C@@H](C(=O)NNC(=O)c3ccccc3F)CN2C1	1123573973	UGRDFHOSJCKFLR-JHJVBQTASA-N	319.380	1.707	50	20	DDGD	
C=C/C=C\CCNC(=O)NNC(=O)COc1ccc(OC)cc1	883911969	DQFBBDRMFOHPGR-PLNGDYQASA-N	319.361	1.537	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)c2cc(C)nn2C)cc1OC	788955355	QFCZYZQEABNVDD-UHFFFAOYSA-N	316.361	1.900	50	20	DDGD	
CCCO[C@@H]1CCCN(S(=O)(=O)CBr)CC1	782434833	MQRJGWKFYPUFOH-SNVBAGLBSA-N	314.245	1.950	50	20	DDGD	
O=C(NCc1nc2c(s1)CCCC2)NNc1ncncc1F	1122109155	JUZDQFZOWFUYKX-UHFFFAOYSA-N	322.369	1.777	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1ccc(-n2ccnn2)cc1	781831311	FJJZFBKGYHYDNJ-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
CC(=O)NC1CCN(C(=O)[C@@H](Br)C(C)(C)C)CC1	781084729	RXERZRMDOXCMQW-LLVKDONJSA-N	319.243	1.923	50	20	DDGD	
CC[C@@H]1C[C@@H](CC(=O)NNC(=O)NCc2ccco2)CCO1	781681329	GTBHWLKLHHEAQB-NWDGAFQWSA-N	309.366	1.705	50	20	DDGD	
Cc1noc([C@@H]2CC(=O)N(C3CN(C[C@@H]4[C@@H](C)[C@H]4Cl)C3)C2)n1	895888443	FCYLDLGJDMDWNU-ZJIMWXPPSA-N	324.812	1.251	50	20	DDGD	
CO[C@]1(C(=O)NNC(=O)NC2CCCCC2)CCSC1	899940624	SHWPWYXXZWPTRG-CYBMUJFWSA-N	301.412	1.172	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2F)CO1	784131500	UCPMZHBYQYRDGV-JGVFFNPUSA-N	300.717	1.665	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnc(S)n1-c1ccccc1	780712170	TWRPVAUYLYERFI-UHFFFAOYSA-N	319.390	1.467	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc(OCCOC)o1	899341623	FUHDHWFHVIYCKK-BENRWUELSA-N	308.334	1.364	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C(=O)Nc2c(C)noc2C)c1	785241704	OLZZQWHRAREUTP-UHFFFAOYSA-N	322.296	1.521	50	20	DDGD	
CCOc1cccc(CC(=O)NNC(=S)NC(C)(C)C)n1	899997144	JGJZOBHNPUGWBT-UHFFFAOYSA-N	310.423	1.317	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=S)NCCc2cccs2)CO1	784145732	QEMHLACOXAHOQQ-UWVGGRQHSA-N	313.448	1.211	50	20	DDGD	
CCc1ccnc(CNC(=O)NNc2cncc(Cl)n2)c1	798118598	GYPDFHJBJDRQIU-UHFFFAOYSA-N	306.757	1.914	50	20	DDGD	
CN(C)c1cc(C(=O)NN=C2CCC23CCOCC3)ccn1	799879998	YDLMYAWZPIAEPN-UHFFFAOYSA-N	302.378	1.824	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21	796210985	WRSWGYUJMVWSTB-KWCYVHTRSA-N	304.394	1.706	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1ccc(O)cc1O	791148236	ULLYEKQCRIIHNU-UHFFFAOYSA-N	307.237	1.902	50	20	DDGD	
COCCCNC(=O)NN=C(C)CN1Cc2ccccc2C1	792636107	SEKZJTDTXMCSAL-UHFFFAOYSA-N	304.394	1.714	50	20	DDGD	
COC(=O)[C@H]1CC[C@H](C(=O)NNc2ccc(C#N)cc2)CC1	797946668	CGDBMCRZTOAZKV-JOCQHMNTSA-N	301.346	1.981	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)c1csc(O)n1	792211544	FYMDSEUDIIEIBL-UHFFFAOYSA-N	303.299	1.670	50	20	DDGD	
C[C@H]1COCCC1=NNC(=O)c1csc(N2CCOCC2)n1	794484062	WGTNXHRFIJCGRH-JTQLQIEISA-N	324.406	1.122	50	20	DDGD	
COc1cc(NNC(=O)c2cccc(C(N)=O)n2)ccc1Cl	790186186	GIBADWXSIRFLQE-UHFFFAOYSA-N	320.736	1.599	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@H](C)S(C)(=O)=O	798141732	GGBKVLRYBWIDNT-ZETCQYMHSA-N	320.802	1.130	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCN(C)C1CCCCC1	791125796	AXAWHAYRGLHSSK-UHFFFAOYSA-N	307.398	1.134	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2cc[nH]n2)c(C)cc1Cl	793447569	OSKLHWORPISXLX-UHFFFAOYSA-N	306.753	1.684	50	20	DDGD	
COc1cccc(C2(C(=O)NNC(=O)c3ccncc3)CC2)c1	794605951	UVQZEPBOPHLVFY-UHFFFAOYSA-N	311.341	1.583	50	20	DDGD	
Cc1cc(C)c2c(c1)C(=NNC(=O)N1CCN(C)CC1)CCO2	790173715	MLXQTPLCGCWNFD-UHFFFAOYSA-N	316.405	1.747	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H](C)NC(=O)C(C)(C)C)cc1	1317771787	ISSPGIUJICIHSZ-SNVBAGLBSA-N	321.377	1.007	50	20	DDGD	
CCC(CC)[C@H](NC(=O)NNC(=O)C(=O)OC)c1ccccc1	1318876155	FISGTQLIBYTSCF-ZDUSSCGKSA-N	321.377	1.667	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(N2CCCC2)cc1	1319057303	RPCXOTAFOMKBMC-CQSZACIVSA-N	319.405	1.788	50	20	DDGD	
CCc1cc(OCC(=O)N2CC[C@@H](B(O)O)C2)ccc1Cl	1329671769	LWFIIPPVVUPRSP-LLVKDONJSA-N	311.574	1.357	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CC23CCOCC3)cc1	1322322462	XJMOJPOATLHDSN-ZDUSSCGKSA-N	304.346	1.273	50	20	DDGD	
CC[C@H](C)n1ncc(NC(=O)C(=O)NNc2cccnn2)c1C	1320707085	KOYHTVBFOIRVCR-VIFPVBQESA-N	317.353	1.034	50	20	DDGD	
Cc1ncccc1CC(=O)NNc1nc(O)c2ccccc2n1	1323711216	NMBWURWIZRUHLZ-UHFFFAOYSA-N	309.329	1.725	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNc1ccc(C(C)(C)C)nn1	1324652292	XCWRRLSWKMGYPL-MNOVXSKESA-N	305.382	1.744	50	20	DDGD	
Cn1ccc(NNC(=O)CCCOc2ccc3c(c2)OCO3)n1	1331514064	UAGRESRLYNSOIS-UHFFFAOYSA-N	318.333	1.451	50	20	DDGD	
COC(=O)[C@@H]1CN(C[C@H](CBr)C2CC2)C[C@H](C)O1	1335012497	JEQPLXKJJDMQOD-DLOVCJGASA-N	320.227	1.670	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ccc(Cl)cc2O)c1Cl	1254027886	OYEAQGCXLFTXED-UHFFFAOYSA-N	314.132	1.828	50	20	DDGD	
CCCN(CCC)C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1331374628	MHAGSCXPYIEGOL-GWCFXTLKSA-N	319.243	1.925	50	20	DDGD	
CC(C)CN1CCC[C@@H]1C(=O)NNC(=O)c1cccc(C#N)c1	1262608005	UNQDNKQWBGSMFE-OAHLLOKOSA-N	314.389	1.440	50	20	DDGD	
O=C(NNC(=O)[C@]1(F)CCOC1)c1c(Cl)cccc1Cl	1342289275	OMWSMHLDJDHEGU-LBPRGKRZSA-N	321.135	1.883	50	20	DDGD	
O=C(O)C1CN(C(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)C1	1347599680	VCBICICHILFMEF-LPBBDHJYSA-N	302.168	1.483	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H](C(=O)NNc1ccccn1)C(C)(C)O	1343724048	DZWAEKXHZGSRNM-LLVKDONJSA-N	324.381	1.189	50	20	DDGD	
CCOC[C@@H](NC(=O)NNc1nncc(N)c1Cl)C(C)C	1343496614	OEKCOJHRLPERSK-SECBINFHSA-N	316.793	1.399	50	20	DDGD	
C[C@H]1CCCN(C(=O)CCNC(=O)NNc2ncccc2F)C1	1354020536	LCRYVOJDXXHYBV-NSHDSACASA-N	323.372	1.495	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@H]1CCc2n[nH]cc2C1	1602230036	BMRUEMUGTMCHNZ-QMMMGPOBSA-N	318.308	1.495	50	20	DDGD	
CO[C@@](C)(C(=O)NNc1cccc(-c2nn[nH]n2)c1)C1CC1	1604995783	PZAZVOGQUGAFBV-CQSZACIVSA-N	302.338	1.125	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@H](C(=O)O)C1CC1)c1ccccc1	1603488654	OWQWOJXRQFPBEK-CHWSQXEVSA-N	304.346	1.438	50	20	DDGD	
Cc1cc2ccc(Cl)cc2nc1NNC(=O)COCC(=O)O	1600309798	ZUQYTVBINNPHGL-UHFFFAOYSA-N	323.736	1.741	50	20	DDGD	
CN(C)c1cc(C(=O)NNc2ccccc2)cc(-c2nn[nH]n2)c1	1604697775	HSKZICDJDLHGPA-UHFFFAOYSA-N	323.360	1.690	50	20	DDGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)[C@H]1CC[C@@H](C(=O)O)C1	1601559018	IGSRAHPMYYQTRO-JGVFFNPUSA-N	311.269	1.678	50	20	DDGD	
O=C(O)CSCCC(=O)NNCC(F)(F)C(F)(F)F	1608766944	UQPLZGPNNSGBIQ-UHFFFAOYSA-N	310.244	1.013	50	20	DDGD	
O=C(NNc1nc(C(F)(F)F)cs1)[C@H]1CC[C@H]1C(=O)O	1605820896	KQPHIEPEIDLFHU-CRCLSJGQSA-N	309.269	1.716	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)cc1F)N[C@@H]1CCn2ccnc21	1610701467	PMWVODMOSLWHPB-LLVKDONJSA-N	319.296	1.492	50	20	DDGD	
O=C(NN=Cc1ccc2oncc2c1)[C@@H]1CN2CCC[C@H]2CO1	1549320735	NOGVWNBVOFPNEL-ZFWWWQNUSA-N	314.345	1.141	50	20	DDGD	
Cn1nc(C(=O)NNc2ccc(C(=O)O)cn2)cc1C1CC1	1610613378	OXJVVBCBZUMDMD-UHFFFAOYSA-N	301.306	1.148	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@@H]1C(=O)NN=C1CCCOC1	1549320833	QFOHYGRLODIPLY-JSGCOSHPSA-N	306.366	1.170	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C=NNC(=O)c1ccc[nH]1	1552454836	WKHKBEDAVHAVOQ-BXUZGUMPSA-N	301.350	1.632	50	20	DDGD	
CC1(C(=O)NCC(Cl)Cl)C[C@@H]2CC[C@H](C1)S2(=O)=O	1553599687	LCQISSLYASIDCM-OQJHAAMPSA-N	314.234	1.652	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2N)o1	1575868718	VDETWWKBRXVAJL-XPXLGCRWSA-N	303.366	1.486	50	20	DDGD	
CCOc1ncccc1C(=O)NNc1ncccc1C(=O)O	1573925915	GWBNNYAEYAWIJJ-UHFFFAOYSA-N	302.290	1.330	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNc2ncccc2C(=O)O)c1	1574382179	OKRNMIGRPDXEIW-UHFFFAOYSA-N	316.273	1.753	50	20	DDGD	
CC(C)(CNC(=O)NNc1ccc(-c2nn[nH]n2)cn1)C1CC1	1589281042	IZYKQFKPXCMSSD-UHFFFAOYSA-N	316.369	1.324	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CCCCC(=O)O)c1	1588439047	GZCDOEVDRIWSOH-UHFFFAOYSA-N	319.386	1.631	50	20	DDGD	
NCCCCCC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	1580292864	WYPDNVRRYQOFCX-UHFFFAOYSA-N	315.377	1.152	50	20	DDGD	
C#CCCCC(=O)N1CCCC12CN(C(=O)C(Cl)Cl)C2	1846374936	HAYQVEGBGROZQD-UHFFFAOYSA-N	317.216	1.797	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1588503930	IBCHYTAHYMCLAQ-CYBMUJFWSA-N	322.756	1.290	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)[C@@H]2CCCS2)C1	1846719151	GWJRQHHRIZYOIJ-VHSXEESVSA-N	320.817	1.620	50	20	DDGD	
C[C@@H]1CC[C@@H](CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)O1	1590229957	MTOYHVRMXYASJG-SKDRFNHKSA-N	317.353	1.060	50	20	DDGD	
CSSCCNC(=O)c1csc(-c2nn[nH]n2)c1	1591702235	ZOZWFNURVRWFIN-UHFFFAOYSA-N	301.422	1.669	50	20	DDGD	
CCCC[C@H](NNC(=O)COc1ccc(C)c(C)c1)C(=O)O	1595640800	MPBRRGZIGNHDKI-AWEZNQCLSA-N	308.378	1.946	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNc1cccc(C(=O)O)c1C	1595922879	VTDXPYMPXKEZDT-UHFFFAOYSA-N	321.377	1.833	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1occ2c1CCC2	1593167408	JQBUGDLZTWRLHL-UHFFFAOYSA-N	310.317	1.705	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cc2cccn2cn1	1593164717	KJWCIHKOCFQKNS-UHFFFAOYSA-N	320.316	1.271	50	20	DDGD	
CC(C)CCOc1ccc(C(=O)NNC(=O)CC(=O)O)cc1	1591260235	IMTNSIXZHSKSKQ-UHFFFAOYSA-N	308.334	1.347	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1sc2c(c1C(=O)O)CCOC2	1596509111	AYEDCAAACKAFMM-VURMDHGXSA-N	322.342	1.901	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnoc1)[C@@H](F)Cl	1796989643	SWTBWGAGDNHNQM-LMLFDSFASA-N	315.732	1.461	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@@H]2OCCc3ccccc32)cc1	158288425	SLTQAKQCRMCTDU-MRXNPFEDSA-N	321.336	1.633	50	20	DDGD	
CCC[C@@H]1CN(C(=O)NNC(=O)c2ccc(C)s2)CCO1	160576856	DWRXASBCOXZBPA-LLVKDONJSA-N	311.407	1.912	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)cn1	152750854	BFKNDZANPKPKAT-CHISNJGVSA-N	320.368	1.490	50	20	DDGD	
CC(C)(C)n1ccnc1SCC(=O)NNc1ncc(F)cn1	157728285	RJAQXTOWGYQTOF-UHFFFAOYSA-N	324.385	1.803	50	20	DDGD	
CC(C)(C)CC(=O)NCC(=O)NNC(=O)CCc1ccccc1	154147381	WBOJEVWNZLCYPR-UHFFFAOYSA-N	319.405	1.319	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)s1	154692063	ZXKXJLWSPPWNNW-DLOVCJGASA-N	323.418	1.814	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@H]1CCCCN1C	862286789	AOLNWUQDPHXSGI-CQSZACIVSA-N	305.378	1.771	50	20	DDGD	
Cc1cc(NC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)n(C)n1	56081027	FMLHDRWSJIARFP-AWNIVKPZSA-N	308.345	1.793	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)c2ccccc2O)n(C)n1	175280338	NJJRAZWEAYQDGO-UHFFFAOYSA-N	302.334	1.324	50	20	DDGD	
Cc1ccc(-n2cc(C(=O)NNC(=O)CC(C)(C)C)nn2)cc1	103197852	DCPGNGXDFARWLL-UHFFFAOYSA-N	315.377	1.773	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2COc3ccccc32)n1	174475182	UERIFWILBBGLDG-LLVKDONJSA-N	300.318	1.413	50	20	DDGD	
CCN(CC)C(=O)CCCNC(=O)NNC(=O)CC(C)(C)C	103180226	DNIUTLNSBJLQDB-UHFFFAOYSA-N	314.430	1.402	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2)on1)c1ccncc1	27257255	XOCVFEIFCWBSRE-UHFFFAOYSA-N	308.297	1.811	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1ccc(CCC)cc1	64375642	ODBWWVKUZOJQNZ-UHFFFAOYSA-N	313.423	1.932	50	20	DDGD	
CS[C@@H](C(=O)NNC(=O)c1cc(C)n[nH]1)c1ccccc1	178007922	UQFBPGMIDMZPHP-GFCCVEGCSA-N	304.375	1.583	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cccc3nc(O)oc23)c1Cl	1341002953	AKZMRBDNMQNULT-UHFFFAOYSA-N	320.696	1.316	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)CCc1nccs1	61475106	OIPFJBHYGZJVMX-UHFFFAOYSA-N	319.386	1.692	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H](NC(C)=O)C(C)C)c1ccccc1	110339908	PHNPIYAMGRPJGI-GJZGRUSLSA-N	319.405	1.488	50	20	DDGD	
CCCN1CCC[C@@H]1C(=O)NNC(=O)c1ccc(Cl)cc1	123819756	AWWIKLKXCGFCGT-CYBMUJFWSA-N	309.797	1.975	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CSC[C@@H]1CCCCO1	171354356	ZRAVXXBRECKYQG-NSHDSACASA-N	311.407	1.088	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c1	66783797	XPYNQBSAFWJHED-LLVKDONJSA-N	321.377	1.669	50	20	DDGD	
CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)NNC(=O)c1ccc[nH]1	123746601	QQBVJYUXDZIKGO-NEPJUHHUSA-N	308.382	1.552	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(F)c1	124802361	UNKGXTADYCETOO-ZETCQYMHSA-N	315.732	1.611	50	20	DDGD	
CCn1c(NNC(=O)CC[C@@H](C)OC)nc2ccccc2c1=O	183025406	GOXPHDWNYZADQQ-LLVKDONJSA-N	318.377	1.675	50	20	DDGD	
CC(C)(C)OC(=O)NC1(C(=O)NNc2ccnc(F)c2)CC1	182440884	YFGOBDRAFMQWEU-UHFFFAOYSA-N	310.329	1.721	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1ccccc1OCC1CC1	186123024	HRBUWBVQMXVOFS-UHFFFAOYSA-N	314.345	1.202	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1cnc2c(c1)nnn2C	184370969	UYARDOXHIBVMSO-UHFFFAOYSA-N	300.297	1.568	50	20	DDGD	
CC(C)(Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCCO1	32260521	WKMNTQGVYWLFGL-LBPRGKRZSA-N	310.325	1.310	50	20	DDGD	
CC[C@H](C)NC(=O)[C@H](C)NC(=O)NNc1cc(Cl)ccn1	180897764	RHAVQGNGQSQUAR-IUCAKERBSA-N	313.789	1.664	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCCOCC2)cc1	183537616	PWIISMOHADNKRY-CYBMUJFWSA-N	302.334	1.071	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)NCCCOC)c1ccccc1	139524561	RHEXUTOYVLJKBI-CYBMUJFWSA-N	309.366	1.131	50	20	DDGD	
CC(C)CC[C@H](C)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	42999575	TYTKPGDPWAQPQM-AAEUAGOBSA-N	305.444	1.192	50	20	DDGD	
CC(=O)Nc1nc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cs1	134139004	JVRZIUZKFHHDNH-UHFFFAOYSA-N	321.318	1.767	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNC(=O)c1ccccc1F	86970701	YRQXPFCEJPVGJG-UHFFFAOYSA-N	309.341	1.235	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)c3c[nH]nn3)cc2C1	80233747	KDEVVUXJACYZJE-SSDOTTSWSA-N	305.363	1.066	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1ccncc1)c1ccccc1F	81025523	BIKQRMGBMIOFHN-LLVKDONJSA-N	301.321	1.714	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@H]1CCN(C2CCCCC2)C1=O	130252744	WIWBRJZNNBHQRW-GETOMWPZSA-N	305.378	1.480	50	20	DDGD	
CC(=O)[C@H](C)SCC(=O)NNC(=O)c1ccccc1Cl	83121461	NTWQDOLEHZNAMB-VIFPVBQESA-N	314.794	1.812	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1ccc(-n2ccnc2)nc1	195213503	JSPVRAWIUUFRPU-UHFFFAOYSA-N	313.361	1.609	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCc1ccccc1Cl	83064553	RHTVDNPBMPATJQ-UHFFFAOYSA-N	318.764	1.808	50	20	DDGD	
O=C(CCOc1cccc(Cl)c1)NNC(=O)c1ccncc1	192478476	JZSPJLPBBOVVQL-UHFFFAOYSA-N	319.748	1.965	50	20	DDGD	
CC(=O)c1ccc(OCCCC(=O)NNC(=O)C2CCC2)cc1	264673683	HHVBNSQJNYNUAF-UHFFFAOYSA-N	318.373	1.996	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)CCOc2ccccc2)CCS1	264156271	RMSHKOHTSRNMBM-GFCCVEGCSA-N	323.418	1.634	50	20	DDGD	
CC[C@@H](C)C[C@H](C)NC(=O)NNC(=O)C(=O)Nc1ccccn1	268294522	SOWJFTNDNXZWOR-MNOVXSKESA-N	321.381	1.175	50	20	DDGD	
COCCC1(C(=O)NNC(=O)C(C)(C)c2ccccc2)CC1	269458315	WKTGEJDPLNEHQK-UHFFFAOYSA-N	304.390	1.928	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1c(F)cccc1Br	267225628	XPYQNEONLIKDLS-UHFFFAOYSA-N	301.115	1.759	50	20	DDGD	
O=C(NCC1CCCC1)NNC(=O)c1cc([N+](=O)[O-])ccc1O	266556380	UBIZYLVCUCSJBI-UHFFFAOYSA-N	322.321	1.435	50	20	DDGD	
Cc1c(NNC(=O)NCCN(C)C2CC2)cccc1[N+](=O)[O-]	264861510	NOHMWJBWWHUDCO-UHFFFAOYSA-N	307.354	1.624	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2sccc2CN(C)C)n1	268047302	SGRCQVZRVJNBBZ-UHFFFAOYSA-N	305.407	1.973	50	20	DDGD	
CCCn1cc(C(=O)NNc2cccc(C(=O)OC)c2)cn1	273074361	GAIMECMJQVPARM-UHFFFAOYSA-N	302.334	1.837	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccc(OC2CCCC2)nc1	274017521	BEPJYNSDMHVYLD-UHFFFAOYSA-N	304.350	1.966	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@](C)(O)[C@H](C)c2ccccc2)[nH]n1	270602228	DXWRCTKIJPALPJ-BZNIZROVSA-N	316.361	1.034	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)COc2ccccc2F)CCO1	272081020	MSVQJFFUJKQDSQ-WDEREUQCSA-N	310.325	1.167	50	20	DDGD	
C[C@@H](CO)CCCNC(=O)NNC(=O)c1c[nH]c2ccccc12	270462595	GKUKJHMGIRZMHX-LLVKDONJSA-N	318.377	1.521	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cn(C3CC3)c(C)cc2=O)n1	283011542	POEMHBHEEKQVGN-UHFFFAOYSA-N	313.361	1.655	50	20	DDGD	
Cn1cc2c(n1)CCC[C@@H]2C(=O)NNC(=O)c1ccccc1O	373019522	HLVWGTIFRLHYQQ-JTQLQIEISA-N	314.345	1.007	50	20	DDGD	
O=C(NCC(Cl)Cl)[C@@H]1CC(=O)N(Cc2ccco2)C1	289194114	WUGPIKSPJNCJPJ-MRVPVSSYSA-N	305.161	1.548	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)Nc1cc2n(n1)CCCC2	287485203	XFFYCVAPLWANES-UHFFFAOYSA-N	315.333	1.392	50	20	DDGD	
CC(F)(F)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1	289312904	WKDUEGNZSHHWCR-UHFFFAOYSA-N	319.333	1.226	50	20	DDGD	
Cc1ccc2c(c1)CC[C@H](C(=O)NNc1ncnc3nc[nH]c13)O2	280041803	AWAFYXNFCSMNIC-GFCCVEGCSA-N	324.344	1.498	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)ccn1	294278973	PPIPQPRYHVKEQP-JQWIXIFHSA-N	307.350	1.197	50	20	DDGD	
COCCCn1nccc1C=NNC(=O)c1ccc(N)cc1	802704944	XYQGUJQEDOHRPS-UHFFFAOYSA-N	301.350	1.266	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@H]1CCN(CC(F)(F)F)C1	804773100	RNQWFBLQXBLVLK-QMMMGPOBSA-N	306.263	1.548	50	20	DDGD	
O=C(CCCNC(=O)c1ccccc1)NNc1ncccc1F	804219637	DJJHSTSCUJZJCY-UHFFFAOYSA-N	316.336	1.874	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)cn1	802006356	IFGXYJGSXOOLMJ-UHFFFAOYSA-N	309.276	1.648	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC=CCC1)Nc1ccc2c(c1)OCO2	802095618	LMHHABBTSZRUPJ-JTQLQIEISA-N	303.318	1.924	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1cnn(CCF)c1	807445256	QAKOXMJYEJJDJU-UHFFFAOYSA-N	311.248	1.657	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)N=c2cc[nH]cc2)ccc1C	802024002	CWYXKFALFSVDCY-UHFFFAOYSA-N	312.329	1.481	50	20	DDGD	
CS(=O)(=O)Nc1ccccc1C(=O)NNc1ncccc1F	804220016	LTTQODMVQNZKRZ-UHFFFAOYSA-N	324.337	1.349	50	20	DDGD	
O=CNc1ccc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)cc1	803432775	OQPOTTCXIFMSJC-UHFFFAOYSA-N	322.324	1.853	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc([N+](=O)[O-])[nH]1	805374617	OIOUQDFHLBZISI-UHFFFAOYSA-N	305.250	1.896	50	20	DDGD	
CC(C)c1cnc(NC(=O)NNC(=O)[C@H]2CCCCO2)s1	298457754	NYRINGJLHGRDIR-SECBINFHSA-N	312.395	1.988	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H](C(=O)NNc2cccc([N+](=O)[O-])c2C)O1	291243507	JNVVQZKFCZULLT-NWDGAFQWSA-N	323.305	1.067	50	20	DDGD	
Cn1nncc1NNC(=O)c1cccnc1SC(F)(F)F	816770062	IPDGMQUVUJAQCL-UHFFFAOYSA-N	318.284	1.579	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[Si](C)(C)c1ccccc1	812215080	FVHSEXFHSARQJG-UHFFFAOYSA-N	307.470	1.518	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1CC[C@H](CC(=O)O)[C@@H]1C	814794165	AAZAQRXGVHWVSP-POYBYMJQSA-N	310.379	1.640	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)C[C@H]2CCC(=O)N2)c(OC)c1	811641793	QQEKUIZDAGTZRX-LLVKDONJSA-N	319.361	1.478	50	20	DDGD	
CNC(=O)NN=C(C)CCc1ccc(OCCC(=O)O)cc1	814814749	YNLAOSDQHSSHRF-UHFFFAOYSA-N	307.350	1.778	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C1CC(c2ccc(F)cc2)C1	815506136	MORNWQCFJAPTAO-UHFFFAOYSA-N	316.336	1.812	50	20	DDGD	
CCc1nn(C)c(OC)c1C=NNC(=O)c1cccc(C)n1	814921093	AVNYVGBWJNTHCF-UHFFFAOYSA-N	301.350	1.458	50	20	DDGD	
CN1CC[C@H](C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)C1	729509831	ILSHYYDVKFARQG-ZZTKBFGJSA-N	305.422	1.302	50	20	DDGD	
O=C(CCCCN1CCCC1)NNC(=O)NC1CCCCC1	729298159	VBVODVPYHRMAIX-UHFFFAOYSA-N	310.442	1.916	50	20	DDGD	
Cc1cn2ccc(NC(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)cc2n1	825928091	MJFSWAXJZHAAMN-ZYHUDNBSSA-N	317.349	1.220	50	20	DDGD	
COc1cccc(N(CC(=O)NNC(=O)C(C)C)CC(C)C)c1	828206069	OVPDLTGTYALGEB-UHFFFAOYSA-N	321.421	1.961	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl	823952253	ZDCUDDQDDYPQQE-UHFFFAOYSA-N	314.729	1.911	50	20	DDGD	
CC1(C(=O)NNC(=O)CCOc2ccccc2)CCC(=O)CC1	825510582	CSORNJIRTCERRD-UHFFFAOYSA-N	318.373	1.752	50	20	DDGD	
CCN1CCC(CNC(=O)NNC(=O)c2ccccc2C)CC1	726278563	KKEPSZOIKPVUPJ-UHFFFAOYSA-N	318.421	1.671	50	20	DDGD	
CCCN(NC(=O)C(=O)c1cnn(CC)c1)C(=O)OC(C)(C)C	495827405	NGZLBWCFGGVKDN-UHFFFAOYSA-N	324.381	1.764	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)N[C@H]1C=CCC1	821092366	NBSLMYNLSXCSAW-ZDUSSCGKSA-N	303.362	1.677	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NC[C@@H]2Cc3ccccc32)c1	728953919	ZFHXKDCXPCHIKB-HNNXBMFYSA-N	320.352	1.842	50	20	DDGD	
O=C(NCC1SCCS1)NNC(=O)c1ccccc1O	823411626	UESMBCWLZFPNAK-UHFFFAOYSA-N	313.404	1.142	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCCN(C)c2cc(F)ccc21	828328331	NBAHCUNTFYBYJS-UHFFFAOYSA-N	322.384	1.275	50	20	DDGD	
CCc1ccc(CCNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	826035884	MNNZHQAFQSAFFX-SWLSCSKDSA-N	319.405	1.547	50	20	DDGD	
COC(=O)C(C)(C)CC=NNC(=O)CNC(=O)OC(C)(C)C	496705901	BGYDXZRIACALGX-UHFFFAOYSA-N	315.370	1.202	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cncs1	826445705	GHTKUBLKQHHHFJ-UHFFFAOYSA-N	322.741	1.129	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCCOCC2CCCC2)cn1	491177341	VXQXMUDYPAMJMV-NVNXTCNLSA-N	302.378	1.650	50	20	DDGD	
CCn1cc(C(=O)NNc2cc(C(F)(F)F)ccn2)nn1	820880008	REEZKUYSSXCBRD-UHFFFAOYSA-N	300.244	1.469	50	20	DDGD	
Cc1cc(-n2c(C)cc(C(=O)N3CC[C@@H](B(O)O)C3)c2C)no1	585069778	SFOVGIIVFPDBJU-GFCCVEGCSA-N	317.154	1.079	50	20	DDGD	
O=C(c1csc2cc(Cl)cnc12)N1CC[C@H](B(O)O)C1	585065536	YUACDYRSRCCBNJ-ZETCQYMHSA-N	310.571	1.639	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)C1(Br)CC1	825004083	HXDHWGVKSOGECU-UHFFFAOYSA-N	311.048	1.732	50	20	DDGD	
C[C@@H](C#N)Oc1ccc(C=NNC(=O)C(=O)N2CCCC2)cc1	727685015	VPFSVCUPXIRMQO-LBPRGKRZSA-N	314.345	1.050	50	20	DDGD	
Cn1cccc1[C@H]1CCCCN1C(=O)c1cccc(B(O)O)c1	584953674	BSUAMTFATZWPNF-MRXNPFEDSA-N	312.178	1.072	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2C[C@@]2(F)c2ccccc2)c(F)c1	585048168	KAUZEUMHYFDNQO-HZPDHXFCSA-N	303.117	1.232	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](CO)CCOC)cc1	491010731	MTJZLIBUXUCGGJ-IPJDOKCGSA-N	318.373	1.506	50	20	DDGD	
CS/C=C\C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	821956299	LUPZISVGBMEWRT-PLNGDYQASA-N	309.355	1.298	50	20	DDGD	
Cc1ccc(C[C@@H]2CCCN2C(=O)c2ccc(B(O)O)cc2)cc1	584946652	WWPYAKRAKBDNNV-SFHVURJKSA-N	323.201	1.522	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1ccc(O)cc1Cl	905492911	PDGYTHRLJYMZDK-UHFFFAOYSA-N	300.742	1.549	50	20	DDGD	
Cc1nc(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)sc1C	826114985	YHELXTVNIVORJI-WPRPVWTQSA-N	312.395	1.015	50	20	DDGD	
CC(=O)NN=C(CNC(=O)c1ccc([N+](=O)[O-])cc1)C(C)C	734744812	WVJMYGZJZMAARQ-UHFFFAOYSA-N	306.322	1.473	50	20	DDGD	
Cc1ccc(N2CC[C@H](NCc3ccc(B(O)O)cc3)C2)cc1	585024256	VUDPTBWIIJPLMN-KRWDZBQOSA-N	310.206	1.043	50	20	DDGD	
Cc1ccc(-n2cc(C(=O)NCB(O)O)c(C(C)(C)C)n2)cc1	585056728	AFDODLDKDUUIPC-UHFFFAOYSA-N	315.182	1.220	50	20	DDGD	
C[C@@]1(C(=O)N2CCCC3(C2)OCCO3)C[C@H]1Br	907077050	DZITYRUDDCMKSK-MWLCHTKSSA-N	304.184	1.525	50	20	DDGD	
OB(O)c1ccc(CNC[C@H]2[C@H]3c4ccccc4C[C@H]32)c(F)c1	585031134	ROADSRRVZIUKMG-JZXOWHBKSA-N	311.165	1.181	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@]1(Cl)C[C@H]2CC[C@H]1O2	907783853	ZXJRCAXEMIECHC-RULNRJAQSA-N	310.785	1.972	50	20	DDGD	
N#C/C(=C\c1ccc(OC(F)(F)C(=O)O)cc1)C(=O)NC1CC1	490611698	SNLYENJAWHFPMD-JXMROGBWSA-N	322.267	1.928	50	20	DDGD	
CC(C)CO[C@H]1CCN(C(=O)/C(C#N)=C\c2cnn(C)c2)C1	491109197	ZMFAJKPJBHSJDS-XXUROBRHSA-N	302.378	1.601	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCc2ncc[nH]2)cc(C#N)n1C	490724771	BIVQMRADZYODRB-NTUHNPAUSA-N	308.345	1.194	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@@H]2CC2(C)C)cc1OC	732820212	JPKCKRBVSNCXNU-NSHDSACASA-N	321.377	1.694	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)C[C@H]1C[C@H]2CC[C@H]1O2	836554686	PVJKRETUJYTELF-RBSFLKMASA-N	302.374	1.724	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2	837513432	NJZRDBPSRIIDKI-MVWJERBFSA-N	302.330	1.532	50	20	DDGD	
CN1CCCC[C@H]1CCOC(=O)/C(C#N)=C/c1cnn(C)c1	837970126	YFGQEQZNFPBHCW-HNRFISLBSA-N	302.378	1.745	50	20	DDGD	
CCO/C=C\C(=O)NNC(=O)[C@H](C)Oc1ccc(OCC)cc1	492878816	ANATYZWQCFNOFP-WEHUKYGOSA-N	322.361	1.550	50	20	DDGD	
CCO[C@@H]1CCCC[C@H]1NC(=O)NNc1nc2ccccn2n1	838726736	KQOPCDGUSXELBQ-VXGBXAGGSA-N	318.381	1.703	50	20	DDGD	
Cc1cnn(C)c1C(=O)NNC(=O)CCCc1ccccc1	839639727	CVDABGUJBPQZGM-UHFFFAOYSA-N	300.362	1.512	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCCO1)c1ccc(S(C)(=O)=O)cc1	834988379	JFRPIMGIVUIHKM-AWEZNQCLSA-N	324.402	1.499	50	20	DDGD	
Cc1ccc([C@H](CNCc2cccc(B(O)O)c2)N(C)C)cc1	585019259	HPGBUICZDIASHR-SFHVURJKSA-N	312.222	1.067	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@@H]2CCCCO2)c(O)c1OC	901250550	VQYSNLGXRHQLML-LBPRGKRZSA-N	308.334	1.429	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@@H]2COc3ccccc3O2)c2nccn21	834917885	LTCWMWMYEBXNOM-YGRLFVJLSA-N	312.329	1.508	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2CCCC(=O)N2C)cc1	905129418	RYZVKPJVDBJGJL-ZDUSSCGKSA-N	303.362	1.021	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccccc2)CCC1)c1ncon1	832825643	CANYEEKDVNGCAK-UHFFFAOYSA-N	300.318	1.244	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccc2ncccc12)n1cccn1	730225057	JXIQFLYHGQYITD-NSHDSACASA-N	309.329	1.454	50	20	DDGD	
Cc1ccncc1[C@H](C)NC(=O)NNC(=O)[C@@H]1CCCCO1	838534900	TZKSAOCYKYSCLI-AAEUAGOBSA-N	306.366	1.351	50	20	DDGD	
CC(=O)NNC(=O)[C@@H](C)Cc1ccc(OC(F)(F)F)cc1	839464873	KQPKXLAUQLBEEL-QMMMGPOBSA-N	304.268	1.931	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(OCc2cccnc2)cc1	837622467	UBAXIRJKIRQGMN-UHFFFAOYSA-N	315.373	1.884	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2CC[C@H](C(N)=O)C2)c(Cl)c1	838729947	ZHFLFQNUNPOSDQ-VHSXEESVSA-N	310.785	1.929	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)ccc1F	837036442	CAXJAKLPKGNHKS-MWODSPESSA-N	310.325	1.869	50	20	DDGD	
CCOC(=O)C[C@@H](C)SCC(=O)NNC(=O)c1ccccc1	734368982	VQJWYPINVJHHKG-LLVKDONJSA-N	324.402	1.523	50	20	DDGD	
O=C(NC[C@H]1CCCCC1(F)F)c1ccc(B(O)O)c(F)c1	584994733	DRJPBEXZCDYKHE-SNVBAGLBSA-N	315.100	1.061	50	20	DDGD	
CC(=NNC(=O)Cc1nc2ccccc2n1C)c1cnccn1	734747276	VLDJHRKCHFBMKQ-UHFFFAOYSA-N	308.345	1.446	50	20	DDGD	
C[C@@](O)(CC(=O)NNc1ccc(C(=O)O)cn1)c1ccccc1	833524797	NBOWJXQCYXMTIR-MRXNPFEDSA-N	315.329	1.521	50	20	DDGD	
CCCN1CCC(NC(=O)NNc2ncc(F)cc2F)CC1	838493750	XBOAFEOWQVWVMB-UHFFFAOYSA-N	313.352	1.860	50	20	DDGD	
CC(C)OCC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	733109206	WWVZZRGWXAKSJE-UHFFFAOYSA-N	302.334	1.058	50	20	DDGD	
CC[C@@H](C)[C@@H](CNC(=O)NNC(=O)Cc1ccccc1C)OC	836546302	GUYMWZQQFJJVPN-IUODEOHRSA-N	321.421	1.929	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H](C)C[C@@H](C)N)cc1F	831224082	WEWIMFPELNRCEA-BDAKNGLRSA-N	312.345	1.364	50	20	DDGD	
CS[C@@H]1CCC[C@@H](NC(=O)NNC(=O)[C@H]2CCCCO2)C1	838480762	CNMKVRVKTKNPTP-IJLUTSLNSA-N	315.439	1.560	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NC[C@@H](OC)C(C)C)cc1	836349191	OVBIXXNMLHIUBK-CYBMUJFWSA-N	324.381	1.702	50	20	DDGD	
O=C(COC(=O)CC1CC1)NNC(=O)c1ccc(Cl)cc1	914953234	STOKWFRIQSPDCF-UHFFFAOYSA-N	310.737	1.444	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1CCOC2(CCC2)C1	834934339	URUKSSWAAVWMJF-ZDUSSCGKSA-N	309.410	1.160	50	20	DDGD	
Cc1cc(C(=O)NN(C)C[C@H](C)O)nn1-c1ccc(F)cc1	910152705	SYNYLYYXLSZSGU-NSHDSACASA-N	306.341	1.277	50	20	DDGD	
CCN(CC(=O)NN=c1sc2ccccc2n1C)C1CC1	749568329	JQTFVEKMCZIGBA-UHFFFAOYSA-N	304.419	1.656	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@@H](C)CCCCN	841993343	BXXLRSGUZKPNPN-LBPRGKRZSA-N	322.409	1.086	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cc(C)n(CC(F)(F)F)n1	841805575	PXBHPPDRGLXUSE-SSDOTTSWSA-N	321.303	1.953	50	20	DDGD	
N#Cc1cccc(NNC(=O)NCCNc2ncccc2C#N)c1	916641289	RCFDHDBWAIOCQM-UHFFFAOYSA-N	321.344	1.563	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)c1cccs1)[C@H]1CC1(C)C	842164087	QZZTUVPAJNZLJW-GHMZBOCLSA-N	309.435	1.923	50	20	DDGD	
Cc1cc(C)c2c(c1)CCC2=NNC(=O)[C@@H]1CCS(=O)(=O)C1	848404685	NYDQPZJXXPDFLS-CYBMUJFWSA-N	320.414	1.505	50	20	DDGD	
CN(C)C(=O)NN=Cc1cc2c(cc1Br)OCO2	745602818	YJWUUOBNNGESSM-UHFFFAOYSA-N	314.139	1.783	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H](O)c1cccc(C(F)(F)F)c1	910159040	ZCJHZKJBQRRMIL-KWQFWETISA-N	306.284	1.083	50	20	DDGD	
COc1ccccc1/C(C)=C/C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843649902	YKYZTHZVULGAQW-XVQHWYGASA-N	318.373	1.671	50	20	DDGD	
O=C(NNc1ncccn1)c1ccc(CN2CCCC2=O)cc1	913043960	BKBRIWCORXIZNT-UHFFFAOYSA-N	311.345	1.356	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(C#N)o2)cc1C	743430634	MGNXXHYAPICVDQ-UHFFFAOYSA-N	310.313	1.857	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNc1cc(O)nc2ncccc12	913994176	XGSAWBHSLMLAHQ-JTQLQIEISA-N	302.334	1.760	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cc2c(F)cccc2s1	745992296	YYQOLGHSFZQKOT-UHFFFAOYSA-N	323.349	1.727	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1CCO[C@H]1c1ccncc1	845073758	FZDUOEUFUMIMDM-NEPJUHHUSA-N	307.350	1.715	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@H](c1ccccc1)n1cccn1	748700177	XNKUVERYEFJUTF-HNNXBMFYSA-N	323.356	1.272	50	20	DDGD	
CC(C)[C@H](N)CNC(=O)NNC(=O)Nc1ccc(Cl)cc1	841945040	UMTORFFDLHYXFP-LLVKDONJSA-N	313.789	1.659	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCC2(C#N)CC2)cc1	845166938	MDSCOABNVXXDEM-UHFFFAOYSA-N	302.334	1.332	50	20	DDGD	
N#CCSCC(=O)NNC(=O)c1cccc2cccnc12	747425266	CBXDVZLOAPQZJC-UHFFFAOYSA-N	300.343	1.253	50	20	DDGD	
COc1cccc(NCC(=O)NN=C[C@H](OC)[C@H]2CCOC2)c1	841614656	NRNRPZAFOKPCMW-WFASDCNBSA-N	321.377	1.261	50	20	DDGD	
CC[C@@H](NC(=O)NNc1cncc(Cl)n1)C1CCOCC1	746425709	INLSKYVAWLMDRI-SNVBAGLBSA-N	313.789	1.961	50	20	DDGD	
O=C(NNC(=O)[C@H]1Cc2ccccc21)[C@@H]1COc2ccccc2O1	740738974	WLZJXHPNPLLOMA-BBRMVZONSA-N	324.336	1.314	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1cc(C(=O)O)cc(Cl)c1C	747595855	IGDZBVYIQRFWJD-UHFFFAOYSA-N	320.754	1.066	50	20	DDGD	
CC(C)[C@H](N)CNC(=O)NNC(=O)c1cc2c(s1)CCC2	841943798	OUPBITIMGWFTQS-SNVBAGLBSA-N	310.423	1.164	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCCNC2CC2)c1	841918531	MONQFYTUMTWZQX-UHFFFAOYSA-N	306.366	1.241	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2C[C@H](C)[C@H](C)[C@H]2C)cc1	842167152	RJNGTQKIDZVMNB-MELADBBJSA-N	303.406	1.732	50	20	DDGD	
O=C(NC[C@H]1CCCN1)NNC(=O)c1cccc2ccccc12	841936895	MKAIJSWLHXMSAB-CYBMUJFWSA-N	312.373	1.536	50	20	DDGD	
O=C(NCC[C@]1(O)CCCOC1)NNc1cccc([N+](=O)[O-])c1	845719006	PQJSLBDWGFPOIG-CQSZACIVSA-N	324.337	1.153	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)NCCN1CCCC1=O	845485259	HRAMVYSYFYEOEO-UHFFFAOYSA-N	310.785	1.897	50	20	DDGD	
CCCCCNC(=O)/C(C#N)=C\c1cc(C(=O)OCC)n[nH]1	843270229	XNIQVNFXRBNTMN-FLIBITNWSA-N	304.350	1.800	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@@H](OC)C(F)(F)F)nc1	845889651	WULAQRGMKVBZSO-MRVPVSSYSA-N	321.255	1.279	50	20	DDGD	
C[C@H](CC(=O)NNc1ncnc2[nH]cnc12)C(=O)c1ccccc1	743471374	DEVFRQMVPZCTLR-SNVBAGLBSA-N	324.344	1.705	50	20	DDGD	
CCC(=NNC(=O)c1ccc(OC)c(OC)c1)c1cnn(C)c1	741811314	RNQXBFNQLGJDBR-UHFFFAOYSA-N	316.361	1.981	50	20	DDGD	
CCCOc1ccc(C(C)=NNC(=O)C(=O)NC2CC2)cc1	744827519	KUHQYNUQIFPNOU-UHFFFAOYSA-N	303.362	1.594	50	20	DDGD	
C[C@@H](CC(N)=O)C(=O)NNc1cc(F)ccc1Br	840530936	DAVKEBCNBVHGPT-LURJTMIESA-N	318.146	1.543	50	20	DDGD	
Cc1nn(C(C)(C)C)c(C)c1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843974882	PJNOXHJJFMSBPV-RYUDHWBXSA-N	322.409	1.441	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCc2cc(C(=O)OC)ccc21	854970576	XAZFHUSATMMUPR-JLHYYAGUSA-N	300.314	1.806	50	20	DDGD	
Cc1c[nH]nc1C=NNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C	853373224	QIPWJMAQCQQEQG-DGCLKSJQSA-N	316.365	1.070	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H](c1ccccc1)N(C)C)C1CC1	855099311	WGPGLXWVJGSRFO-FZMZJTMJSA-N	320.462	1.583	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H]1CCCN1C=O	854944347	KZQLCUUOKBGHSD-VIFPVBQESA-N	311.773	1.317	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](c1cccnc1)C(C)(C)CO	855107696	BSQYYPIOSSTCEK-QLKUMGTLSA-N	303.362	1.701	50	20	DDGD	
COc1cc2c(cc1OC)C(=NNC(=O)c1cc[nH]n1)CC2	853392024	GZCHPDQPAQRYTR-UHFFFAOYSA-N	300.318	1.507	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccnc(C3CC3)n2)nc1	759737342	AZZBTOLBEFOCGQ-UHFFFAOYSA-N	313.317	1.293	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)OCC(F)(F)F)nn1C(C)C	856027132	AOAWAGCVCJLXQM-UHFFFAOYSA-N	308.260	1.706	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cc2cncn2C)c1C	855625359	OWZISEVPQBRFFE-UHFFFAOYSA-N	302.334	1.201	50	20	DDGD	
C[C@H]1Cc2cc(C(=O)NNC(=O)[C@@H]3CCCCO3)ccc2O1	854682899	HKYTVUMCLJAKIS-HZMBPMFUSA-N	304.346	1.340	50	20	DDGD	
CCc1cc(C(=O)NNC(=S)NCC2CCC2)ccc1O	855089907	LRBBYXIUNWDWKK-UHFFFAOYSA-N	307.419	1.864	50	20	DDGD	
O=C(NN=Cc1cccc2cc[nH]c12)[C@@H]1CN2CCC[C@@H]2CO1	853389848	ANXLFNQLWFWAHE-CABCVRRESA-N	312.373	1.481	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)COCc1nncn1C	928337632	SQBFGBXUJMUXBM-UHFFFAOYSA-N	309.757	1.437	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)Cc2cccnc2)c(C)n1	757683549	RQRAUQSWFGXHMC-UHFFFAOYSA-N	315.333	1.189	50	20	DDGD	
CCn1cncc1C=NNC(=O)CCCNC(=O)C(C)(C)C	853406589	KVCQKQLYZRKNLX-UHFFFAOYSA-N	307.398	1.296	50	20	DDGD	
CNC[C@H](C)NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	851680908	KUFCFLZPOSHOIN-HXTFMFRQSA-N	308.426	1.141	50	20	DDGD	
CCOC(=O)NC1CCC(=NNC(=O)c2cccnc2)CC1	853255416	DIMCSZHOFURCGH-UHFFFAOYSA-N	304.350	1.856	50	20	DDGD	
NC(=O)c1ccc(CC(=O)NNc2cc(F)c(F)cc2F)cc1	754232581	FNNZUDBOHAICFR-UHFFFAOYSA-N	323.274	1.889	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1	854919882	AZJRYDISZMIFQN-UHFFFAOYSA-N	324.362	1.025	50	20	DDGD	
O=C(NNC(=O)c1noc2c1CCCC2)c1cccc(Cl)n1	857325767	JRURLQWKLGQWFD-UHFFFAOYSA-N	320.736	1.677	50	20	DDGD	
CCOC(=O)[C@@H]1NCC[C@@H]1NC[C@]1(C)C[C@@H]1Br	857253521	ODFVRZZZAZOKNH-GUDRVLHUSA-N	305.216	1.043	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)C1CC(F)(F)C1	754193912	WWORMEDDBTZRHO-UHFFFAOYSA-N	319.402	1.831	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccccc1OC(F)F	755408275	BOWNHOBQZPUMCT-UHFFFAOYSA-N	303.265	1.477	50	20	DDGD	
CO[C@H](C=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1)C1CC1	853281110	NTZBVHPIANUCFV-RMRHIDDWSA-N	311.426	1.259	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccc2c(c1)oc(=O)n2C	756627448	RGFGWHATUFIOSX-XFFZJAGNSA-N	302.286	1.228	50	20	DDGD	
COC(=O)[C@@H]1C[C@H]2CC(=NNC(=O)c3cccc(F)n3)[C@H]1C2	853444674	RJHCPAOWMJZZBX-LPEHRKFASA-N	305.309	1.526	50	20	DDGD	
O=C(NN=Cc1cnc2ncccn12)c1c[nH]c2ccccc12	755488436	NKWUIDGDBRXKTE-UHFFFAOYSA-N	304.313	1.975	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(NC(=O)COC)cc1	769947138	CLIUMYIQPSEAJC-UHFFFAOYSA-N	310.310	1.054	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccnn2CC2CCC2)n1	864690329	NGTXJDNIXLUALY-UHFFFAOYSA-N	300.366	1.847	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)c1	862479767	AKWWCCOJCCZJKA-WDEREUQCSA-N	304.375	1.355	50	20	DDGD	
CSCCNC(=S)NNC(=O)CCO[C@H](C)CC(C)C	769764351	BNKUEQPJNJWJPC-LLVKDONJSA-N	321.512	1.686	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccc2c(c1)C[C@H](C)O2	933150791	WKIXMYKPBXSGSI-VIFPVBQESA-N	315.333	1.957	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)C(=O)Nc1cccc(Cl)c1	763463410	DFKAFKJGGCXQNV-UHFFFAOYSA-N	318.720	1.135	50	20	DDGD	
COC(=O)c1ccccc1CCC(=O)NN[C@@H](C)C(F)(F)F	862316076	KJHIUOVSBKPFJU-VIFPVBQESA-N	318.295	1.977	50	20	DDGD	
CC(C)(C)C(=O)CCCc1nc(-c2cccc(B(O)O)c2)no1	863892664	FGXQQWRFMBFODR-UHFFFAOYSA-N	316.166	1.354	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)OCC(=O)[C@@H]1CCOC1	766750978	KAVKXLUDIHPWQM-SCZZXKLOSA-N	307.184	1.945	50	20	DDGD	
Cc1cccc(NNC(=O)C2CCN(C(=O)C(C)C)CC2)n1	862525137	ZPNROFLYNRPPJW-UHFFFAOYSA-N	304.394	1.728	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)c2cc(C)cs2)CCC1	862478933	WOLNOEJWYLERCW-UHFFFAOYSA-N	310.375	1.551	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)C[C@H]2CCCO2)cc1	874951947	USCFMXGCJDDDFU-CYBMUJFWSA-N	322.434	1.639	50	20	DDGD	
CC1=NO[C@H](C(=O)NNC(=S)Nc2cc(C)ccc2F)C1	874946657	QUHBTFDAXCOUGZ-NSHDSACASA-N	310.354	1.617	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(CNC(=O)OC)cc1	878745680	FJRDCERJGCCORM-UHFFFAOYSA-N	310.354	1.157	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cn1)C(=O)Nc1ccon1	1116646153	YIMVTPZKBMNQPB-UHFFFAOYSA-N	315.211	1.170	50	20	DDGD	
COCCOCC(=O)NN=C1C(=O)Nc2c1cccc2C(C)C	872400737	ZYLZDMXTVWFLIS-UHFFFAOYSA-N	319.361	1.245	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNc2ccccc2)c1F	770762983	XDHNDGBZBGNLKX-UHFFFAOYSA-N	303.293	1.916	50	20	DDGD	
Nc1cccc([N+](=O)[O-])c1C(=O)NNc1ccc([N+](=O)[O-])cc1	779536360	ITTWTBAQYIWNNR-UHFFFAOYSA-N	317.261	1.842	50	20	DDGD	
Cc1ccc(C)c(-n2nc(C)c(C=NNC(=O)CO)c2Cl)c1	776779242	BZQFQOXNLYFDEU-UHFFFAOYSA-N	320.780	1.893	50	20	DDGD	
CC[C@@H](Oc1ccccc1C)C(=O)NNC(=O)c1cccnn1	882058843	RGBMXKDZIFTXAL-CYBMUJFWSA-N	314.345	1.404	50	20	DDGD	
CCOc1ccccc1C(=O)NCC(=O)NCCCSC#N	774295654	ALSPXHNNBPKGAG-UHFFFAOYSA-N	321.402	1.536	50	20	DDGD	
Cn1nnnc1-c1ccccc1NC(=O)NCC(Cl)Cl	880665488	IZYGIZNETBTOHQ-UHFFFAOYSA-N	315.164	1.802	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNC(=O)C2CCOCC2)cc1	883059144	MYPMCMDDEAXFNG-UHFFFAOYSA-N	318.373	1.532	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CNc1cc(Cl)ccc1OC	887143275	SERBPSPWYXKLEB-UHFFFAOYSA-N	323.780	1.711	50	20	DDGD	
COC(=O)C1(CNC(=O)NNc2ccc(OC)cn2)CCCC1	780999704	SKURNHYMONSLOT-UHFFFAOYSA-N	322.365	1.450	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2c(F)cccc2F)nn1	783953689	WCOCFCIQGKYHRW-UHFFFAOYSA-N	307.260	1.145	50	20	DDGD	
Cc1cc2cc[nH]c2cc1NC(=O)C(=O)NNC(=O)CC(C)C	782120068	FKIVWOHUIBROFJ-UHFFFAOYSA-N	316.361	1.608	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2(SC)CC2)cc1OC	788673474	PRQLRIDCJLAIRY-UHFFFAOYSA-N	310.375	1.360	50	20	DDGD	
CC1(C(=O)NNC(=O)CNC(=O)c2cccs2)CCCCC1	780545835	SMASRVCJTQXVST-UHFFFAOYSA-N	323.418	1.596	50	20	DDGD	
C[C@H](Oc1ccc(C#N)cc1)C(=O)NNc1ncncc1Cl	781825005	XWOUDOSFFOBLJA-VIFPVBQESA-N	317.736	1.912	50	20	DDGD	
CCCCS[C@H](C)C(=O)O[C@@H](C)C(=O)NNC(=O)CC	785737114	BIQUWPVYZLCGJP-VHSXEESVSA-N	304.412	1.397	50	20	DDGD	
Cn1cc(-c2n[nH]cc2C(=O)NNc2ccnc(F)c2)cn1	781004805	KYSOQTFTLQQICC-UHFFFAOYSA-N	301.285	1.101	50	20	DDGD	
CCn1cc(NC(=O)NNc2ccc3c(=O)[nH]ccc3c2)cn1	789704601	BGZMYROBNMGZCU-UHFFFAOYSA-N	312.333	1.893	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCOC3(CCC3)C2)c(O)c1	895792483	KGOHXMVPHUYJMS-GFCCVEGCSA-N	318.373	1.811	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCc1ccn(C)n1)c1ccccc1	794323836	ZXCBFQRMNLRAGB-OAHLLOKOSA-N	314.389	1.694	50	20	DDGD	
C=C(CBr)COC(=O)c1n[nH]c(CC)c1[N+](=O)[O-]	795613668	ZVPBPIOEOXSPLW-UHFFFAOYSA-N	318.127	1.988	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccoc1Br	798304530	YRDAWPLGQKKWTL-UHFFFAOYSA-N	304.169	1.337	50	20	DDGD	
CCCN(CCN1CCCC1)S(=O)(=O)CBr	796092443	HNJGWNNNLMDHNX-UHFFFAOYSA-N	313.261	1.476	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccccc1NC1CCCCC1	795071145	QOLQLKVMXIWAIE-UHFFFAOYSA-N	318.421	1.754	50	20	DDGD	
Cc1c(C(=O)NCB(O)O)oc2ccc(Br)cc12	585056712	VIFKHJFTHKDMLZ-UHFFFAOYSA-N	311.928	1.246	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)C(=O)c1ccccc1	792651010	VVZOKRGQTRZMHO-UHFFFAOYSA-N	308.297	1.661	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)C(=O)c1ccccc1	792016953	DEHGWVKUVVTFGN-UHFFFAOYSA-N	314.366	1.881	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)CC1OCCCO1	792824232	ZICYDTHAXJSZAH-UHFFFAOYSA-N	312.753	1.183	50	20	DDGD	
NC(=O)c1ccccc1CCC(=O)NNc1ncccc1Cl	792642267	IHFRMTFTTGYYLQ-UHFFFAOYSA-N	318.764	1.910	50	20	DDGD	
COc1cncc(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)n1	790803026	BDUUQEIMTWIFEM-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
Cc1noc([C@H]2CCCCN2S(=O)(=O)CBr)n1	796239756	WMYGEBBMKPJTLT-MRVPVSSYSA-N	324.200	1.587	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1ccc2c(c1)COC2	792376549	WEHYMQOKDQWISC-UHFFFAOYSA-N	312.329	1.502	50	20	DDGD	
COc1cc(NNC(=O)c2ccc(=O)n(C)n2)ccc1Cl	790187385	QCQHJGOQFJJRBM-UHFFFAOYSA-N	308.725	1.199	50	20	DDGD	
CC(C)[C@@H](C#N)C=NNC(=O)[C@@H](C)CN1C[C@@H](C)O[C@H](C)C1	1319611714	BFZHMUKPRBAKPP-YJNKXOJESA-N	308.426	1.629	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2Cl)CCN1C	1318836016	GXRPHNVKHUFKRH-MNOVXSKESA-N	324.812	1.767	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNC(=S)NC(C)C)nc1C	1317820654	BRVFSBVAGDFPEY-UHFFFAOYSA-N	324.406	1.084	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1cncnc1C	1317862709	GNQZCZHAKUFGBV-UHFFFAOYSA-N	320.736	1.522	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1ccc(OC)cc1)[C@H]1CCCO1	1319599613	IXWRONDJFFGYMS-UONOGXRCSA-N	321.377	1.597	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNc1cncc(Br)c1	1319577658	UWIQSVPWTOTQIX-LURJTMIESA-N	317.143	1.032	50	20	DDGD	
C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	1326004468	FZTHMYIOUKXHJV-NDBYEHHHSA-N	311.426	1.957	50	20	DDGD	
CNC[C@H](C)CNC(=O)NNC(=O)c1cccc2ncccc12	1327486041	JEOSIGYJLJLZGO-NSHDSACASA-N	315.377	1.034	50	20	DDGD	
CCCc1csc(NC(=O)C(=O)NNc2ncncc2F)n1	1324249797	DQVLCMRMXSMUBU-UHFFFAOYSA-N	324.341	1.107	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNC(=O)c2ccccc2Cl)C1	1334421549	XNNWBBBRLHWJNY-SNVBAGLBSA-N	323.780	1.360	50	20	DDGD	
CC(C)Cc1ncc(C(=O)NNC(=S)NC(C)C)s1	1333770369	MDTDGQVHTSTNJP-UHFFFAOYSA-N	300.453	1.859	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@H](c1ccncc1)C1CC1	1340492878	XBCRLHWGPGSECY-AWEZNQCLSA-N	318.377	1.290	50	20	DDGD	
CC1(C)[C@@H]2CC[C@@]1(C(=O)NNC(=O)Cc1ccncc1)C(=O)C2	1351520894	OHELENCPEWYGEN-PXAZEXFGSA-N	315.373	1.167	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)c(C)c1	1351065724	OZMAVQDWINUQFR-UHFFFAOYSA-N	313.361	1.375	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)[C@@H]3C[C@@H]3F)n[nH]2)cc1	1518937769	WKKGSUTYCWRVTC-MNOVXSKESA-N	302.309	1.504	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)NCCOCC(=O)O	1600425677	BOOYLOFVJAEMPA-UHFFFAOYSA-N	301.730	1.376	50	20	DDGD	
O=C(CCc1ccccc1C(=O)O)NN=c1cc[nH]cc1F	1601290989	PSVCAARKCNNIFH-UHFFFAOYSA-N	303.293	1.417	50	20	DDGD	
Cc1ccnc(NNC(=O)c2ccc(-c3nn[nH]n3)c(C)n2)c1	1609439125	KZDNQVXILWYJJM-UHFFFAOYSA-N	310.321	1.030	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2cc(C(=O)O)cs2)cn1	1600947065	QGMVUUFCYMKTBL-XNWCZRBMSA-N	302.315	1.725	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(C(=O)O)cc1OC(F)F	1609882455	WRUGHNYAVQEZIC-UHFFFAOYSA-N	317.248	1.549	50	20	DDGD	
O=C(O)c1cc(C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)on1	1602247224	QOFDJQMIUIXSNT-UHFFFAOYSA-N	310.197	1.177	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCCSCC(=O)O	1610618930	OGKWLIDATXMKOM-YRNVUSSQSA-N	308.334	1.667	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@](C)(CC(=O)O)c1ccccn1	1610036379	VPFGAWQWHICOGT-JQPIKURYSA-N	303.318	1.332	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@@H]2C=NNC(=O)c2cnsn2)cn1	1552918936	GTOOKIYHDNEBQM-BXKDBHETSA-N	320.378	1.248	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C[C@H](N)CC(C)C)ccc1C	1578860391	PNKUBQPFNJFYTP-GFCCVEGCSA-N	307.394	1.988	50	20	DDGD	
O=C(NNc1ncccc1Br)[C@@H](F)[C@@H]1CCNC1	1580743035	NUUHCPUDUBAQSY-APPZFPTMSA-N	317.162	1.235	50	20	DDGD	
CC(C)(C)[C@H](C(=O)O)C(=O)NNC(=O)OCC(F)(F)F	1588634302	IMOWWHDLAUCSRF-YFKPBYRVSA-N	300.233	1.053	50	20	DDGD	
N[C@@H]1CCCCCC[C@@H]1C(=O)NNC(=O)Cc1ccccc1O	1580181884	DGHAVRGEXDYUNA-UONOGXRCSA-N	319.405	1.380	50	20	DDGD	
Cc1noc(C2CC2)c1C(=O)NNc1ncccc1C(=O)O	1594502148	JDGOTDQMUCFWAJ-UHFFFAOYSA-N	302.290	1.711	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(SC)c(C(=O)O)c1	1598875405	BYNMXQFFZXDHEW-UHFFFAOYSA-N	313.335	1.841	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)C12CC(C1)C2	1593161167	MFWVMJHOWRYAES-UHFFFAOYSA-N	304.741	1.763	50	20	DDGD	
O=C(O)CC[C@@H]1C[C@@H](C(=O)NNc2ccc(F)c(F)c2)CO1	1595002807	ADUDMNHVGVFCIH-PSASIEDQSA-N	314.288	1.678	50	20	DDGD	
CCOC1CC(=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	1590786803	UWSYDJKGPDFJCQ-UHFFFAOYSA-N	300.322	1.151	50	20	DDGD	
COCC1(CNC(=O)NNc2cccc(C(=O)O)c2F)CC1	1599198729	QRORKTSVKCRDAL-UHFFFAOYSA-N	311.313	1.577	50	20	DDGD	
CO[C@H]1CCC[C@@H]1CNC(=O)NNc1ccc(CC(=O)O)cc1	1599113170	GTBVCIIOWYMZFD-OCCSQVGLSA-N	321.377	1.755	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NC[C@@]2(C)C[C@H]2Br)O[C@H]1C(=O)O	1599875249	QJGINDWUKCERDZ-ZTVJRRTOSA-N	320.183	1.154	50	20	DDGD	
O=C(NN=Cc1cnnn1C1CC1)Nc1ccc(C(=O)O)cc1	1776046901	MYCTUPOPJCLAIK-UHFFFAOYSA-N	314.305	1.467	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=Cc1c(F)cc(C(=O)O)cc1F	1776102707	WKZGTGAGCFLYTC-PRHODGIISA-N	312.272	1.538	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=Cc1cc(C(=O)O)ccc1OC	1776101937	BZQNYWIPBHSZLS-WCQYABFASA-N	306.318	1.269	50	20	DDGD	
COC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Cl)C2	1793672513	ILHAREWBMONINA-HHHUOAJASA-N	320.792	1.442	50	20	DDGD	
COCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Cl)C2	1795777219	NBQRIABTNBCKKW-DTHBNOIPSA-N	306.765	1.196	50	20	DDGD	
CC1=C(C(=O)NNC(=O)COc2cc(C)cc(C)c2)CCCO1	158330985	QHDGOTRWNZZDDD-UHFFFAOYSA-N	318.373	1.914	50	20	DDGD	
C[C@@H]1OCC[C@H]1SCC(=O)NNC(=O)c1ccc(F)cc1	163944129	OEVUBKFNNRKCHF-JOYOIKCWSA-N	312.366	1.497	50	20	DDGD	
Cc1noc(CCCC(=O)NNc2ncccc2[N+](=O)[O-])n1	153378208	JUHPWUWLOVKPLR-UHFFFAOYSA-N	306.282	1.147	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NNC(=O)CC(C)(C)C	153592172	VSIPBYGBTBOIRX-UHFFFAOYSA-N	314.817	1.936	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](C)C(=O)NCc1ccccc1	159141108	URXSXAGORHJSRE-POKNLVKOSA-N	301.346	1.251	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	154833018	VYWAKSGTADCSLS-TUAOUCFPSA-N	307.843	1.882	50	20	DDGD	
CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N1CC=C(C#N)CC1	278284827	ASNYUTBUWKGVJU-CYBMUJFWSA-N	323.393	1.598	50	20	DDGD	
COCCN(Cc1ccc2c(c1)OCO2)C(=O)[C@H](F)Cl	2088605357	WAVCIKXDFFHUTD-LBPRGKRZSA-N	303.717	1.925	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)c1ccc2c(c1)OCO2	6336212	XRYGMHZTPWRCGN-UHFFFAOYSA-N	302.261	1.629	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccccc1F	7406559	PSSUIZYTXNVFOP-UHFFFAOYSA-N	302.305	1.838	50	20	DDGD	
COc1ccc2nc(C)c(C(=O)NNC(=O)C(C)C)cc2c1	25955216	CGSJHCPAVYMSLA-UHFFFAOYSA-N	301.346	1.969	50	20	DDGD	
COc1cccc(C(=O)NNc2nc(-c3ccncc3)no2)c1	102159076	XJCNIXFTPLQFRO-UHFFFAOYSA-N	311.301	1.897	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)COC[C@@H]1CCCO1)c1ccccc1	111630485	YQLFXLZJWBNPRF-GJZGRUSLSA-N	320.389	1.523	50	20	DDGD	
CC(C)CONC(=O)NNC(=O)Cn1ccc2ccccc21	119434193	YAUFWIYAYRFVRV-UHFFFAOYSA-N	304.350	1.559	50	20	DDGD	
CCCOc1ccc(CNC(=O)NNc2ccc(C)nn2)cn1	107757447	DHJYPZMVARGWIN-UHFFFAOYSA-N	316.365	1.795	50	20	DDGD	
CC(C)c1ccc(OCC(=O)NNC(=O)Cc2cc[nH]n2)cc1	106417624	TYFVPGOSEHNOBP-UHFFFAOYSA-N	316.361	1.302	50	20	DDGD	
C[C@@H](COc1ccc(F)cc1F)NC(=O)NNc1cccnn1	172493958	SLAQNMCXHAIEKS-VIFPVBQESA-N	323.303	1.848	50	20	DDGD	
CCN(CCNC(=O)NNc1cccnn1)c1ccccc1C	172491011	QWAOUSAPPBHHAW-UHFFFAOYSA-N	314.393	1.938	50	20	DDGD	
CCCCOc1ccc(C(=O)NNc2nnc(C)c(O)n2)cc1	22383430	UMZOXWACCXENQR-UHFFFAOYSA-N	317.349	1.821	50	20	DDGD	
Cn1c(NNC(=O)CC[C@@H]2CCOC2)nc2ccccc2c1=O	176074489	BSUUXFBREABDFQ-LLVKDONJSA-N	316.361	1.193	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2cc(C)oc2C)cn1	170699034	HTEFFGGUPNLFFW-UHFFFAOYSA-N	320.374	1.931	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)NC1CCCC1	65920670	IKDNDNIZVSOCCJ-UHFFFAOYSA-N	314.386	1.174	50	20	DDGD	
CCN(CC)[C@@H](CNC(=O)NNC(=O)c1ccc[nH]1)CC(C)C	122687493	DQPYMCZZDNQXBW-CYBMUJFWSA-N	323.441	1.715	50	20	DDGD	
N#CCc1ccc(NC(=O)NNC(=O)Cc2ccncc2)cc1	183360770	WBPNYNSGPHLOMR-UHFFFAOYSA-N	309.329	1.543	50	20	DDGD	
C[C@H]1CCC[C@@H]1CC(=O)NNc1nccc(N2CCOCC2)n1	184038353	ZHIVOJFYLAHKMV-QWHCGFSZSA-N	319.409	1.583	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)c2cnn(C)c2)cc1F	184500597	SFQORXYOWILBJQ-UHFFFAOYSA-N	321.312	1.424	50	20	DDGD	
COC1(CNC(=O)NNC(=O)c2cccc(Cl)c2)CCC1	181521663	KVISUTKFAQEXGZ-UHFFFAOYSA-N	311.769	1.853	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCCC[C@H](C)C1	187972391	QIHAONXJCMEDSU-AWEZNQCLSA-N	317.433	1.807	50	20	DDGD	
O=S(=O)(CBr)N1CCC([C@@H]2CCOC2)CC1	374588825	UGTKFCGNOCFCCU-SNVBAGLBSA-N	312.229	1.417	50	20	DDGD	
Cc1ccc(/C=C(/C#N)C(=O)OCC(=O)N2CCOCC2)cc1	214865371	MNNANBNTNCNSOR-GDNBJRDFSA-N	314.341	1.304	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(F)c(NC(C)=O)c1	183515931	DUYAGXFVUHXSJC-QMMMGPOBSA-N	310.329	1.983	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cc(F)c(F)c(O)c1F	184787784	YCUYOTWSYREXNX-UHFFFAOYSA-N	306.240	1.979	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc([N+](=O)[O-])c1)c1nncn1C	46962037	FGLUGJSJIFBGNH-QMMMGPOBSA-N	305.298	1.111	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)OC(C)(C)C)C(C)(C)CN(C)C	85423652	JXDFREHXRBTQTB-SNVBAGLBSA-N	302.419	1.702	50	20	DDGD	
O=C(C=C1CCC1)NNC(=O)C(=O)NCc1ccc(Cl)cc1	89374060	XZPSGXOLMMTPAO-UHFFFAOYSA-N	321.764	1.214	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1ccc(-n2ccnn2)cc1	89829888	ZRXOQGXWTIZGEP-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)COc1ccc(C)c(C)c1	132073872	XWNWUMMQIAGOMJ-ZDUSSCGKSA-N	308.378	1.645	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)C(=O)Nc1ccccc1	192888011	RMMYOBPARGAHBS-UHFFFAOYSA-N	322.324	1.568	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C[C@H]1C=CCC1	198208721	GOZGUDSKTNWPOR-ZDUSSCGKSA-N	318.373	1.968	50	20	DDGD	
O=C(CCc1ccccn1)NNC(=O)COc1ccc(F)cc1	194467146	IXFOAXKWTMCPIV-UHFFFAOYSA-N	317.320	1.380	50	20	DDGD	
Cc1cccc2cc(C(=O)NNC(=O)N3CCOCC3)oc12	141532043	HEZPHZBWPRLOET-UHFFFAOYSA-N	303.318	1.428	50	20	DDGD	
CC1(C)C[C@H](NC(=O)NNC(=O)c2ccccc2F)CCO1	269905745	CLTHKGSWSOLBNB-SNVBAGLBSA-N	309.341	1.727	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@@H](C)C[C@@H](C)O)cc(C#N)n1C	265858041	FOXDPZDWEVFTCD-BMSDLPAHSA-N	314.389	1.635	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNC(=S)N[C@H](C)C2CC2)ccn1	268377867	UCMNFJSSZBTRJI-SNVBAGLBSA-N	322.434	1.776	50	20	DDGD	
N#Cc1ccc(SCC(=O)NNC(=O)NC2CCCC2)cc1	264160247	NUGXXGVZIFRDDW-UHFFFAOYSA-N	318.402	1.923	50	20	DDGD	
CCNC(=O)N(C)NC(=O)COc1ccc(F)c(Cl)c1	272658020	GQKICPCWJUUBHQ-UHFFFAOYSA-N	303.721	1.550	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2Oc3ccccc3O[C@H]2C)nc1	275607094	QGHPRKTYINFPSL-BONVTDFDSA-N	315.329	1.762	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccccc1F)[C@H]1CCCCO1	271937211	AOKZYAUZNCUODR-BXUZGUMPSA-N	323.368	1.656	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCCC[C@@H](C)CO)c1	270528664	NVHJTUNXNAMLAJ-CYBMUJFWSA-N	323.393	1.113	50	20	DDGD	
CC(C)n1cc(C(=O)NNC(=O)COc2ccccc2O)cn1	276374816	OZFLHXUNPPUQQV-UHFFFAOYSA-N	318.333	1.010	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)C[C@H]1C=CCC1	273314581	WFFGTKGKEWGXOE-MNOVXSKESA-N	311.382	1.403	50	20	DDGD	
CC[C@H]1C[C@@H](C(=O)NNC(=O)COc2ccccc2F)CCO1	272513694	WLKLGJFFVMOWFU-RYUDHWBXSA-N	324.352	1.557	50	20	DDGD	
CC(C)[C@H](O)C1(CNC(=O)NNC(=O)c2ccccc2)CC1	271753532	CIXRHFVOOQRGGL-ZDUSSCGKSA-N	305.378	1.428	50	20	DDGD	
CC[C@@H](NNC(=O)c1ccc(OC(C)C)c(OC)c1)C(=O)OC	279934342	WWQZNNODRFAVAV-GFCCVEGCSA-N	324.377	1.668	50	20	DDGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1cnccn1	376760193	ZNDNNZAEAFVRAC-UHFFFAOYSA-N	316.708	1.937	50	20	DDGD	
COc1ccnc(NNC(=O)c2nnc(C(C)(C)C)s2)n1	280904912	HWQUHJCAHGWPNW-UHFFFAOYSA-N	308.367	1.391	50	20	DDGD	
CSSCCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O	286418394	KVQQAJOSNGMYNR-UHFFFAOYSA-N	323.421	1.665	50	20	DDGD	
CC[C@@H](C)CONC(=O)NNC(=O)COc1ccc(F)cc1	291676942	BUVJORXPRBSJNI-SNVBAGLBSA-N	313.329	1.513	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)c1ccc2ccccc2n1	294260496	QHYZWAOSLLHHSC-CQSZACIVSA-N	301.346	1.811	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)CCOCc2ccccc2)CC1	295171423	OLFGJEMDHCWLII-UHFFFAOYSA-N	306.387	1.689	50	20	DDGD	
O=C(NNc1cccc(F)c1)[C@H]1CCCN1C(=O)C(F)(F)F	807118155	DNKOMOZBYXESGD-SNVBAGLBSA-N	319.258	1.822	50	20	DDGD	
COc1cccc(C2(CNC(=O)NNc3cccnn3)CC2)c1	291445114	BHGKAUWYOUSGJH-UHFFFAOYSA-N	313.361	1.843	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@](C)(O)C2CC2)cc1	804655691	CPQGPFSZCTWZEJ-OAHLLOKOSA-N	306.366	1.066	50	20	DDGD	
O=C(NCC(Cl)Cl)c1ccn(CCn2cccn2)n1	297044045	JRAMVWUUKRKHOH-UHFFFAOYSA-N	302.165	1.313	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)/C=C/c1cccnc1	808045646	PFDLSCCFMYRUEY-CMDGGOBGSA-N	307.350	1.031	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cccc(N2CCOC2=O)c1	299215605	NJEUBOPVMICMPN-UHFFFAOYSA-N	321.333	1.813	50	20	DDGD	
CC(C)(C)OC(=O)NC1(C(=O)NNc2ccncc2)CCC1	296899468	YYXOFAVYYZMZJU-UHFFFAOYSA-N	306.366	1.972	50	20	DDGD	
Cc1nn(-c2ccccn2)c(C)c1/C=C(/C#N)S(C)(=O)=O	802703569	HPSJZMSISMVPFV-WQLSENKSSA-N	302.359	1.793	50	20	DDGD	
CN(CC(=O)NNc1cccc(F)n1)c1ccccc1[N+](=O)[O-]	804773471	LECCOJIDAYYOPP-UHFFFAOYSA-N	319.296	1.708	50	20	DDGD	
CCC(C)(CC)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	801111288	NWDBQXWAKSVHLW-UHFFFAOYSA-N	305.378	1.907	50	20	DDGD	
CCn1nc(C)c(CNC(=O)NNc2ncccc2F)c1C	805076046	CLCYZROUNQCRSU-UHFFFAOYSA-N	306.345	1.880	50	20	DDGD	
C/C(=C\C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1)C1CC1	291334047	VUTSKHXHDKNURI-ZHACJKMWSA-N	323.418	1.736	50	20	DDGD	
CCCC[C@H](C)C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1	800688077	NCZRLGWCAIOYIU-BFHYXJOUSA-N	313.442	1.459	50	20	DDGD	
CO[C@H]1CCC[C@H](C(=O)NNC(=S)NCCSC)C1	814413898	VPYDVUIONIVZRK-UWVGGRQHSA-N	305.469	1.050	50	20	DDGD	
O=C(NN=Cc1cc(O)cc(C(F)(F)F)c1)N1CCOCC1	811639857	ITSXZALZWBUTIR-UHFFFAOYSA-N	317.267	1.787	50	20	DDGD	
Cc1ccc(C(=O)N[C@H](C(=O)NN(C)C2CC2)C(C)C)cc1	819640673	DTUAJVZKOLSENZ-HNNXBMFYSA-N	303.406	1.875	50	20	DDGD	
O=C(O)COc1ccc(C=NNC(=O)[C@H]2CCCS2)cc1	819825644	ZEMVHLTVHHCBNP-GFCCVEGCSA-N	308.359	1.496	50	20	DDGD	
COCC1(C(=O)NNc2ccccc2C(=O)OC)CCOCC1	810891040	BGWSUTOQAYYCRW-UHFFFAOYSA-N	322.361	1.360	50	20	DDGD	
Cc1nccc(CCC(=O)NNc2cccc([N+](=O)[O-])c2)n1	815850583	SFBLAOAKPPSBKB-UHFFFAOYSA-N	301.306	1.769	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN[C@@H](c1ccccc1)C(F)F	814650333	IFMGGHPRDAEODD-LBPRGKRZSA-N	313.348	1.776	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2ccc(C#N)c(Cl)c2)n1	816084123	QKAHGLYDTRWAMR-UHFFFAOYSA-N	304.741	1.888	50	20	DDGD	
O=C(CCn1cnccc1=O)NNc1ccc(Cl)c(F)c1	815857434	CWCBNHPWTGJPMH-UHFFFAOYSA-N	310.716	1.569	50	20	DDGD	
N#CSCCCNC(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O	816538284	LOIIGYZRDWTZOH-CYBMUJFWSA-N	321.377	1.899	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNC(=O)c1cccc(OC(F)F)c1	810344073	DFONNEIWODWILD-CQSZACIVSA-N	314.288	1.376	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)c1	728794216	PRHVGQDZPCTNBY-JKOKRWQUSA-N	314.414	1.856	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)C1(OCc2ccccc2)CCOCC1	823947109	SOIYVZUWUBCQIU-AWEZNQCLSA-N	322.405	1.096	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(C2CC2)nn1-c1ccccc1	821218354	ZTLMTPPLGZJCJF-GFCCVEGCSA-N	314.389	1.707	50	20	DDGD	
Cc1ccc(C(=O)NN(C)[C@H](C)CO)c(Br)c1	823939772	OYHUMDOUSMYMFV-SECBINFHSA-N	301.184	1.715	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(N(C)C)nc2ccccc12	823939676	NTCMLSMXRSXYQO-LLVKDONJSA-N	302.378	1.258	50	20	DDGD	
CCN(CC)C(=O)c1ccc(CNS(=O)(=O)CCl)cc1	829953405	WLERJGCJGVJNND-UHFFFAOYSA-N	318.826	1.784	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C	494969846	HKXFPXYVLWBSCW-SNVBAGLBSA-N	314.386	1.078	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2Cc3cccc(C)c3O2)n1	826583985	CBWCSIUZTRFMCZ-LBPRGKRZSA-N	314.345	1.549	50	20	DDGD	
N#Cc1ccc(CC(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1	826384829	LFCOOQYDJQMLIW-UHFFFAOYSA-N	319.328	1.424	50	20	DDGD	
CC[C@@H](C)[C@H](C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	825050597	JRMPXJILKAEPGM-ZJUUUORDSA-N	316.365	1.310	50	20	DDGD	
CC[C@@H](C)CC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	496508446	PUFXAAKBPIPEKK-LLVKDONJSA-N	315.414	1.875	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C	496690512	JRINNBDIAVKORR-UWVGGRQHSA-N	316.402	1.276	50	20	DDGD	
CCn1c(NC=C(C#N)C#N)nc2cc(-c3nn[nH]n3)ccc21	825797145	VVFAOCBBEGSRGT-UHFFFAOYSA-N	305.305	1.579	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)OCCc1ccccc1	823176108	NWPHDOYUCCNENF-LBPRGKRZSA-N	316.361	1.127	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNc1nc2c(C)cccc2s1	828352115	NMIYIOCSMMONQX-SNVBAGLBSA-N	306.391	1.963	50	20	DDGD	
CCOc1cc(/C=C\C(=O)NNC(=O)C2CCC2)ccc1O	492520025	HUSPDISIUHZWQG-CLFYSBASSA-N	304.346	1.752	50	20	DDGD	
C[C@H](CNCc1ccc(B(O)O)cc1)Oc1ccccc1Cl	585025553	XAGWXRJYBZVWBK-GFCCVEGCSA-N	319.597	1.577	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1cc(C(=O)O)ccc1N(C)C	901259289	QKZMHFGNZNKBHU-MFKMUULPSA-N	319.361	1.326	50	20	DDGD	
CN(CC(=O)NNC(=O)Nc1cc(F)cc(F)c1)C1CCC1	908050329	UBXFUSQIYUVWQY-UHFFFAOYSA-N	312.320	1.602	50	20	DDGD	
CC(=O)C(C)(C)CCC(=O)NNc1ccc(-c2nn[nH]n2)cc1	823962930	SLDQQPXTKPMSIO-UHFFFAOYSA-N	316.365	1.705	50	20	DDGD	
CC(C)OC(=O)[C@H](C)NC(=O)/C(C#N)=C\c1ccc(O)cc1	491085802	RPYHQPJFADSZDH-LFTLCWSBSA-N	302.330	1.755	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1nc2cc(OC)c(OC)cc2[nH]1	732746789	GJVUVIYRMABHRJ-HJWRWDBZSA-N	316.317	1.963	50	20	DDGD	
CCCC1CCC(N(C)C(=O)c2ccc(B(O)O)cc2)CC1	584981436	VZIGTHJWTFTRLB-UHFFFAOYSA-N	303.211	1.797	50	20	DDGD	
O=C(CN1CC[C@@H](c2cccc(F)c2)C1)NNC(=O)C1CC1	733198437	GPOPIIYAXAIKLE-CYBMUJFWSA-N	305.353	1.172	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H](C)C2CCC2)c1	838389044	LRLOEJPVOGBQRT-LBPRGKRZSA-N	318.373	1.735	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccccc1C(C)(C)C	495367326	OQUVMRCLMAAMPR-UHFFFAOYSA-N	307.350	1.700	50	20	DDGD	
COCC[C@H](C=NNC(=O)C1CCC1)NC(=O)OC(C)(C)C	496632266	KPQCTDPOWYRLLT-GFCCVEGCSA-N	313.398	1.818	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCC(C)CC1)c1cn(C)nn1	834933868	RUNMSQYRPQORSW-LBPRGKRZSA-N	306.414	1.023	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)[C@H]2CCCCO2)CCOCC1	836427524	BMFUIANGYAETNJ-GFCCVEGCSA-N	313.398	1.093	50	20	DDGD	
CCN(CC)C(=S)S[C@H](C)C(=O)NNC(=O)CC(C)C	734979349	CFCUCPRYQJJFGP-SNVBAGLBSA-N	319.496	1.928	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	831048007	ZMFDWDIANVWQFB-ONGXEEELSA-N	322.321	1.481	50	20	DDGD	
C[C@]12CN(C(=O)c3cc(B(O)O)ccc3F)C[C@@H]1[C@@H]1CC[C@H]2C1	584998248	CWZPLVRARNMFKP-KOZDUTSQSA-N	317.169	1.014	50	20	DDGD	
CSc1cccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n1	831803284	MJTSWVXBDZHYQD-DTWKUNHWSA-N	310.379	1.381	50	20	DDGD	
O=C(NNc1ccc(F)cn1)N[C@H]1C[C@H]2CCCCN2C1=O	836692743	XKNBGABYPMNOFN-MNOVXSKESA-N	307.329	1.000	50	20	DDGD	
CC(C)COc1ccc(C=NNC(=O)C(=O)N2CCCC2)cc1	730145754	NKRAASQAYHMCJF-UHFFFAOYSA-N	317.389	1.794	50	20	DDGD	
O=C(NNc1cnccn1)c1sc(N2CCCC2)nc1Cl	734244660	VDQZXLGWQSQBCF-UHFFFAOYSA-N	324.797	1.944	50	20	DDGD	
CCn1cc(C=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)cn1	732527679	FPIYCIHGLDZTBP-UHFFFAOYSA-N	302.294	1.157	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc(C)cs1	830191200	XMDRCJYRHYNAFR-UHFFFAOYSA-N	300.380	1.607	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)nn1C(C)C	831871003	OPNCIWUOUAJDJB-MNOVXSKESA-N	309.370	1.350	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CN2[C@@H](C)CC[C@@H]2C)cc1F	837050038	CNMXQHXYEZSWTK-QWRGUYRKSA-N	323.368	1.928	50	20	DDGD	
O=C(CN(CCc1ccccc1)C1CC1)NNC(=O)C1CC1	733194965	YURIZWKNEZLEIZ-UHFFFAOYSA-N	301.390	1.251	50	20	DDGD	
CCCCN(C)CCNC(=O)NNC(=O)c1ccccc1C	732891712	FMXNCZULNFJMAU-UHFFFAOYSA-N	306.410	1.671	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)NNC(=O)C2CCCC2)C1	739670012	CFYAUICSJFXRTH-PHIMTYICSA-N	303.428	1.020	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	730209551	YVZUROHSIWZSOS-LLVKDONJSA-N	321.352	1.372	50	20	DDGD	
C#CC[C@@H](NC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)C(=O)O	910054512	TVKCLHFTFCIRTA-DCJFZGGZSA-N	314.179	1.533	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H](C)c2ncn(C)n2)cc1	838566181	NBSGBDOQWBLIAV-JTQLQIEISA-N	304.354	1.601	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCCn2cncn2)cc1	837459098	ZFKQPDBFNYKUDB-UHFFFAOYSA-N	304.354	1.393	50	20	DDGD	
CN1CCC[C@H](CCNC(=O)NNc2cccc(C#N)c2)C1	838768395	NDWLZXWHPIUHKP-CYBMUJFWSA-N	301.394	1.916	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2F)CCN1C	745857931	MANLXXFWCOJEQH-WDEREUQCSA-N	308.357	1.252	50	20	DDGD	
CC(C)C(=O)NNC(=O)NC1CCN(CC2CCCC2)CC1	745187901	GBUAIGOVKWSLDQ-UHFFFAOYSA-N	310.442	1.627	50	20	DDGD	
O=C(/C=C/C1CCOCC1)NNC(=O)c1cccc(Cl)n1	912507541	NQVLQYDRNUMMRV-SNAWJCMRSA-N	309.753	1.479	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Cc1cc(-c2ccccc2)on1	746102991	CPQRQHZIBGRAQL-UHFFFAOYSA-N	324.340	1.684	50	20	DDGD	
COc1ccnc(NNC(=O)c2[nH]c(-c3ccccc3)nc2C)n1	917099599	MUGWNOZLINRMBK-UHFFFAOYSA-N	324.344	1.941	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CCOc2ccccc21	740763854	RSWRRSJBWZKPTE-UHFFFAOYSA-N	303.362	1.594	50	20	DDGD	
CC(=NNC(=O)Nc1ccccc1C)c1cc(C(N)=O)n(C)c1	915971701	JBKYSYDNFIDUIP-UHFFFAOYSA-N	313.361	1.978	50	20	DDGD	
C[C@@]1(C(=O)NCc2nc(C(N)=O)cs2)C[C@@H]1Br	912513899	KZUFUQYLCWRUJC-QUBYGPBYSA-N	318.196	1.032	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(OC)cc(OC)c1Cl	841731341	HQFPZUHQJGEFNK-UHFFFAOYSA-N	317.729	1.156	50	20	DDGD	
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NNc1cc(O)nc2ncccc12	913987640	BGIDXJRJSUSVCA-ZYHUDNBSSA-N	316.361	1.982	50	20	DDGD	
CCS(=O)(=O)CCCNC(=O)NNc1cccc(Cl)n1	841591092	TWWNIAXECVYTQN-UHFFFAOYSA-N	320.802	1.186	50	20	DDGD	
CC(=NNC(=O)c1ccc(C)cc1O)c1c(C)nc(O)nc1O	917549301	VHDMURCJWQYKSF-UHFFFAOYSA-N	316.317	1.364	50	20	DDGD	
Cc1ccc(C2(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)CCC2)cc1	843656180	ABVRJTLMKFVOCA-HIFRSBDPSA-N	316.401	1.989	50	20	DDGD	
CCNCCCNC(=O)NNC(=O)COc1cc(C)ccc1C	841917440	HHYHEQCQXCJLGL-UHFFFAOYSA-N	322.409	1.012	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)c2cnn(C)c2C)cc1	846370243	GZALYVXBCLAGCU-UHFFFAOYSA-N	302.334	1.201	50	20	DDGD	
COc1cccc(NCC(=O)NN=C[C@H](OC)[C@@H]2CCOC2)c1	841614653	NRNRPZAFOKPCMW-DOMZBBRYSA-N	321.377	1.261	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)C1CCC(O)CC1	848321754	CKKXOQLQCBKDNL-UHFFFAOYSA-N	315.171	1.233	50	20	DDGD	
CC(=O)N1CCC(C(=O)NNc2cc(Cl)nc(C)n2)CC1	748334842	KZBNWZQHIABIIU-UHFFFAOYSA-N	311.773	1.140	50	20	DDGD	
Cc1ccc(-c2n[nH]cc2C=NNC(=O)N2CCOCC2)cc1	745591346	WAUOTLMHMBLQQD-UHFFFAOYSA-N	313.361	1.761	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)[C@H]1CCCCO1)c1ccc(F)cc1	842151044	PNNQWCAVCUAPTI-OLZOCXBDSA-N	310.325	1.230	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CC12CCC2	759689654	BRIKAEOAEUNAJQ-QWRGUYRKSA-N	306.337	1.931	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)Cc2c[nH]c3ccccc23)c[nH]1	753163794	ZEGQKBXUMMIBKK-UHFFFAOYSA-N	324.340	1.975	50	20	DDGD	
COc1ccc(Cl)cc1NCCC(=O)NNc1cnnn1C	857271695	VVLRCAPJXDRYPK-UHFFFAOYSA-N	324.772	1.422	50	20	DDGD	
CCC/C(C)=C/C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	920216765	QAUHSOWNMAJBPQ-MARXPDLDSA-N	304.346	1.720	50	20	DDGD	
CCOCCNC(=S)NNC(=O)c1cc2c(s1)CCC2	750973665	ANVJHVLXOVZWCK-UHFFFAOYSA-N	313.448	1.382	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1occc1Br	751233902	YPQUGPJXFSQGJG-UHFFFAOYSA-N	301.140	1.993	50	20	DDGD	
O=C(NN=Cc1cccc2cnccc12)[C@@H]1CN2CCC[C@@H]2CO1	853389824	ZYMDOWREACBUSW-WBVHZDCISA-N	324.384	1.548	50	20	DDGD	
Cc1cc(NNC(=O)/C=C\CN2CCOCC2)ccc1Cl	928340209	UNCQIDYHSWZPRR-IHWYPQMZSA-N	309.797	1.980	50	20	DDGD	
CN(NC(=O)/C=C/c1ccc(C(N)=O)o1)C(=O)OC(C)(C)C	854918988	QRIZIPSPOUNGDW-SOFGYWHQSA-N	309.322	1.290	50	20	DDGD	
CNC(=S)N(C)NC(=O)/C=C\c1ccc(OC)c(OC)c1	854929868	WASXVQPGVGBVKK-VURMDHGXSA-N	309.391	1.184	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H]1CN(C)Cc2ccccc21	757731004	FWKBXYVEFIIVCP-CQSZACIVSA-N	304.394	1.550	50	20	DDGD	
Cc1csc(CCCC(=O)NNC(=O)CC(F)(F)F)n1	855000232	DGWURPWFQWQOGH-UHFFFAOYSA-N	309.313	1.874	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2	859539448	LRLVDNNXZLLRRP-MMPTUQATSA-N	309.410	1.265	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1cnn(C2CC2)c1	858150994	PJGHAZPMNYXZIQ-UHFFFAOYSA-N	318.764	1.875	50	20	DDGD	
CCC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)C1CCCCC1	750936127	MMTQVHOHENUWFC-LBPRGKRZSA-N	315.439	1.819	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1csc(-c2ccccn2)n1	751382061	MATDLMLXZCKSBN-UHFFFAOYSA-N	305.363	1.558	50	20	DDGD	
COc1cc(C)c(C=NNC(=O)C(=O)N2CCCC2)cc1OC	751525395	FQHYUULGCFZUNT-UHFFFAOYSA-N	319.361	1.085	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCCOC[C@H]1CCOC1	752192803	AFGCGLRZIKJWSH-BUYRESAOSA-N	318.348	1.902	50	20	DDGD	
CCn1ncc(C)c1NC(=O)C(=O)NNc1ccc(C)cc1	850419909	GDHSZLUOFIWKID-UHFFFAOYSA-N	301.350	1.602	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccnn1C(F)F)C1CC1	855096332	XCNCGYHFVHQIBT-ZCFIWIBFSA-N	303.338	1.186	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(C)cc(Cl)n1	930733088	GLUXFTFEMZPQLW-UHFFFAOYSA-N	300.746	1.024	50	20	DDGD	
O=C(NNC(=O)N1CCC(F)(F)CC1)c1cccc(F)n1	852711143	ZPFYHZFOLFUNCI-UHFFFAOYSA-N	302.256	1.306	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1Br	857388708	VECDURMZDORZAQ-KCJUWKMLSA-N	300.156	1.017	50	20	DDGD	
C[C@]1(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1Br	857387417	HVTKJOQCXWOVFI-HZGVNTEJSA-N	303.116	1.221	50	20	DDGD	
O=C(NNC(=O)c1cccc(C2OCCO2)c1)NC1CCCC1	766834224	OSNASCBTGAJIKF-UHFFFAOYSA-N	319.361	1.619	50	20	DDGD	
COc1ccc(NCC(=O)NN=C2CCN3CCC[C@H]23)cc1	765553431	KSOLDYAVUFNTMD-OAHLLOKOSA-N	302.378	1.447	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1C(=O)NN[C@@H](C)C(F)(F)F	862316509	CXLMADLZNXOOEP-LURJTMIESA-N	307.228	1.789	50	20	DDGD	
COCCOCC(=O)NNC(=O)CC[C@@H](C)c1ccccc1	869908048	ISQONKDGJWSJPM-CYBMUJFWSA-N	308.378	1.381	50	20	DDGD	
Cn1ncc2c1CCCN(S(=O)(=O)CC(C)(C)CCl)C2	867402531	SHKDOGFZFUJTHZ-UHFFFAOYSA-N	319.858	1.763	50	20	DDGD	
CNC(=O)C1CCN(C(=O)[C@@H](Br)C(C)(C)C)CC1	767012801	UQKCAOYVIJPPLK-SNVBAGLBSA-N	319.243	1.781	50	20	DDGD	
COC(=O)[C@H]1CCCCN1S(=O)(=O)CC(C)(C)CCl	866436902	UVWNQQFKCXBHKG-SNVBAGLBSA-N	311.831	1.609	50	20	DDGD	
C[C@@H](NNC(=O)[C@H]1CCCN1C(=O)C(F)(F)F)C(F)(F)F	862317430	GSOANTAGQXELID-PHDIDXHHSA-N	321.221	1.111	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccn(-c2ccc(F)cc2F)n1	766630176	FVRKZLPGNDNVCK-UHFFFAOYSA-N	308.288	1.568	50	20	DDGD	
CC[C@@]1(C(=O)NNc2ccc(Cl)c(OC)c2)CCNC1=O	867906638	TZQDKUGIFWLMLE-CQSZACIVSA-N	311.769	1.708	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cnn(CC(C)C)c1C1CC1	768944391	LFKJRTZGZDBJBG-UHFFFAOYSA-N	307.398	1.771	50	20	DDGD	
CCC(=O)N1CCC[C@H](C(=O)NNC(=O)c2cc(C)cs2)C1	862477520	LEZHIADQYGVNKM-NSHDSACASA-N	323.418	1.466	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2O)CCC1=O	763960007	VNKCSDDVJDLZNS-IUCAKERBSA-N	324.764	1.812	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NN[C@@H](C)C(F)(F)F)cc1F	862317780	LZMWQSNCOVCNRS-LURJTMIESA-N	307.247	1.969	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1CCCc2cn(C(C)C)nc21	765919916	LPKQCCHRDKMVID-GFCCVEGCSA-N	323.397	1.208	50	20	DDGD	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NN[C@H](C)C(F)(F)F	862305250	LBSSTAYOWQKRLF-RKDXNWHRSA-N	301.268	1.897	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)CCc2c(C)nc(O)nc2O)c1	760147746	QOUHCFDVIZEZTN-UHFFFAOYSA-N	320.324	1.720	50	20	DDGD	
COc1ccnc(NNC(=O)COC/C=C\c2ccccc2)n1	763260694	LVAGYTPUTLZZDL-YVMONPNESA-N	314.345	1.658	50	20	DDGD	
C[C@H]1C(=NNC(=O)[C@H]2CCC(=O)N2)CCN1Cc1ccccc1	863149621	DHGGTJCHJCEIPA-SWLSCSKDSA-N	314.389	1.032	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(C(=O)OC)cc1C	1116563716	RFZSJTSSFLHFCX-VIFPVBQESA-N	307.350	1.980	50	20	DDGD	
Cc1noc(C)c1CSCC(=O)NNc1ncc(F)cn1	760908746	SQMHHGOELOHCQE-UHFFFAOYSA-N	311.342	1.597	50	20	DDGD	
CCCCc1ccc(NC(=S)NNC(=O)C=NOC)cc1	873782024	FWCWHZSIELNNPY-UHFFFAOYSA-N	308.407	1.979	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)C1CCSCC1	777437864	MVVFVCYNEJMXMP-UHFFFAOYSA-N	310.379	1.066	50	20	DDGD	
CCC(C)(C)NC(=S)NNC(=O)[C@@H]1COc2ccccc2O1	774137465	GHBRLTXJRVGZTP-LBPRGKRZSA-N	323.418	1.510	50	20	DDGD	
NC[C@H]1CC[C@H](NC(=O)NNC(=O)c2ccccc2Cl)CC1	1119479951	LOLMBQFAUVWAQD-XYPYZODXSA-N	324.812	1.802	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@]2(C)CCCCO2)c1	874952347	SBZZXFAYZHSART-MRXNPFEDSA-N	317.414	1.945	50	20	DDGD	
CCc1ccccc1S(=O)(=O)NNC(=O)NC1CCCC1	777619165	VASHBUSLVYTZQW-UHFFFAOYSA-N	311.407	1.684	50	20	DDGD	
CO[C@](C)(C(=O)NNc1ncnc2[nH]cnc12)c1ccccc1	776157211	QSBLBLHBKDKOON-HNNXBMFYSA-N	312.333	1.358	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc2ccccc2o1	771844420	CWLSYCZZLQJJAE-SECBINFHSA-N	304.302	1.536	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C/c1ccccc1C#N	771970149	JBOIKRVNICYZMO-ANYFNZRUSA-N	315.329	1.061	50	20	DDGD	
CC(C[C@H](C)CC(C)C)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	779769864	BHLJCPVREGCYRQ-DGCLKSJQSA-N	317.455	1.921	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1c(C)ccc2cccnc12	777906430	JVGBIMNLXPDDNV-UHFFFAOYSA-N	309.347	1.483	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@](C)(O)C(C)C)c1	770212690	QUPKSPDAGSBDAA-INIZCTEOSA-N	308.378	1.237	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cn(C)nc1-c1ccccc1	772621788	BLFQZFPQYHTZOM-UHFFFAOYSA-N	301.350	1.441	50	20	DDGD	
CN(CCC(=O)NNc1ccc(F)cn1)C(=O)OC(C)(C)C	874648559	UEYDIKWTOHWFIZ-UHFFFAOYSA-N	312.345	1.921	50	20	DDGD	
Cn1cnc(-c2ccc(C(=O)NCCCSC#N)cc2)n1	773586889	ZGYZOHJZQGGYLJ-UHFFFAOYSA-N	301.375	1.816	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CC[C@@H](C)C2)cc1OC	776285219	JRDCPEIFQZBTGH-MNOVXSKESA-N	306.362	1.901	50	20	DDGD	
CN(NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F)C(N)=O	778412627	RSUWFIKTQNYEBR-UHFFFAOYSA-N	310.329	1.466	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)NC[C@]1(C)C[C@@H]1Br)C(N)=O	889411721	ZMZCENUESZPRTK-PEFMBERDSA-N	320.231	1.359	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)Oc1ccc(C)cc1	771979758	XPWAJXAGJOWZBA-NWDGAFQWSA-N	322.361	1.251	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1sc([C@H]2CCOC2)nc1C	887153344	RLVVPIHJSUTGGV-NSHDSACASA-N	321.402	1.520	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](C)[C@H]1OCCc2sccc21	887149179	MHDFCGDEOVQXRC-XHDPSFHLSA-N	320.414	1.949	50	20	DDGD	
CCC[C@@H](O)CC(=O)NNc1nnc(-c2ccccn2)s1	788555969	BDJJRFGRYKWNEG-SECBINFHSA-N	307.379	1.594	50	20	DDGD	
CCCCN(C)CCNC(=O)NNc1ncncc1Cl	780997041	FSNWDCFDRRSUBL-UHFFFAOYSA-N	300.794	1.488	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)[C@H]1CCCN1c1ncccn1	885139650	FMSNTAGBZJUVTE-CYBMUJFWSA-N	319.315	1.867	50	20	DDGD	
CCN(C(C)=O)c1ccc(NC(=O)NN(C)CCOC)cn1	880077902	WCHKLXNOXQVGSB-UHFFFAOYSA-N	309.370	1.069	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNC(=O)NCc1ccc(Cl)cc1	787428756	LGOXHUBAAUEBAX-LBPRGKRZSA-N	313.785	1.986	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)cc1O	899944445	PWPSBIKWHNRTBL-RJTWHSRJSA-N	300.358	1.754	50	20	DDGD	
CCCO[C@@H](C(=O)NNc1nc[nH]n1)c1ccc(F)cc1C	899128271	VAHAPRRSVLPDKR-GFCCVEGCSA-N	307.329	1.863	50	20	DDGD	
CCN(C)C(=O)[C@H](C)NC(=O)[C@H](Br)C(C)(C)C	789872850	QVRBHNCJCOESHF-IUCAKERBSA-N	307.232	1.779	50	20	DDGD	
COc1cccc(NNC(=O)NCCCNC(=O)C2CCC2)n1	780023045	GEYBLRDAZYJBSR-UHFFFAOYSA-N	321.381	1.023	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@H]1CC(=O)c2ccccc21	789643981	PMHQEWZDVMVXNX-AWEZNQCLSA-N	309.325	1.142	50	20	DDGD	
CNC(=O)NN=Cc1cccc(I)c1	788994154	FZXWOWUCXSZDKS-UHFFFAOYSA-N	303.103	1.554	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CC(C)(C)c2cc(OC)ccc21	788726614	XBXOTAAKFOVDJJ-UHFFFAOYSA-N	319.361	1.553	50	20	DDGD	
CC(C)n1nccc1NC(=O)C(=O)NNc1cc(Cl)ccn1	784857033	ZYHGRORQRAXCTD-UHFFFAOYSA-N	322.756	1.594	50	20	DDGD	
CCS[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)NNC(=O)CC(C)C	794605843	SOIQJRQRQBDQRH-RWMBFGLXSA-N	315.483	1.832	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H](C)c2cnccc2C)n1	793136649	GUPDZANUSLBBAZ-GFCCVEGCSA-N	313.361	1.799	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)/C=C\COC)cc1OC	791300289	XMJBFOZAXVRZQX-WAYWQWQTSA-N	308.334	1.058	50	20	DDGD	
CCNc1nc(C(=O)NNC(=O)c2cccc(C)n2)cs1	795669278	SXEDDMGSIUEFFS-UHFFFAOYSA-N	305.363	1.353	50	20	DDGD	
COCCOC1CCC(C(=O)NNC(=O)C(C)(C)C)CC1	793075643	FWQKLJMYGUFQBL-UHFFFAOYSA-N	300.399	1.402	50	20	DDGD	
Cc1nc(CCC(=O)NNc2nc3ccccn3n2)cs1	791258874	JJFDNSFSCFCCAB-UHFFFAOYSA-N	302.363	1.570	50	20	DDGD	
C=CCNC(=S)NNC(=O)C[C@H](CC#N)c1ccccc1	798124565	ZPMVALSIDHIGIB-ZDUSSCGKSA-N	302.403	1.755	50	20	DDGD	
C#Cc1cncc(C(=O)NN=c2sc3ccccc3n2C)c1	798156808	CKCXBVUARZDPJK-UHFFFAOYSA-N	308.366	1.862	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H]1C[C@@]12CCc1ccccc12	1322156888	JGMALOFCDIOPAF-CZUORRHYSA-N	303.431	1.794	50	20	DDGD	
CCC[C@H](NC(=O)NNC(=O)C1CCNCC1)C1CCCC1	1328727133	YSYOMNRJZKRTOD-AWEZNQCLSA-N	310.442	1.675	50	20	DDGD	
Cc1noc(-c2ccc(C(=O)NNc3ncncc3F)cc2)n1	1324305627	ZOPUXVZACKAFDY-UHFFFAOYSA-N	314.280	1.731	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1nc2c(s1)C[C@H](C)CC2	1324925077	OVQIHQPTSXGFNY-SECBINFHSA-N	308.407	1.243	50	20	DDGD	
O=C(NNC(=O)c1cnn2ccccc12)c1n[nH]c2c1CCCC2	1338890062	ZKUFOITXGCZOQC-UHFFFAOYSA-N	324.344	1.011	50	20	DDGD	
C[C@@]1(CNC(=O)N2C[C@@H]3CCNC[C@@H]3C2)C[C@H]1Br	1336909088	XBNKYRIRSCYMPE-WGBDABJCSA-N	316.243	1.411	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2CCCC[C@H]2N(C)C)n1	1339820311	WXAQMIODGZFBHE-VXGBXAGGSA-N	322.413	1.293	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccncc1	1332087690	GYLPLGXPGLUNKB-RTXFEEFZSA-N	306.366	1.288	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1ccc(C(C)C)cc1	1338526185	JDWVUEZNUDOHBY-UHFFFAOYSA-N	315.373	1.699	50	20	DDGD	
O=C(NNC(=O)c1ccc(-c2cn[nH]c2)cc1)NC1CCCC1	1263721355	OTQMDWUJHLQRRK-UHFFFAOYSA-N	313.361	1.963	50	20	DDGD	
Cc1ccccc1C(F)(F)C(=O)NNC(=O)[C@H]1CCCCO1	1347860347	FQEAMPQAZIQSGT-GFCCVEGCSA-N	312.316	1.803	50	20	DDGD	
CS(=O)(=O)C1(CNC(=O)C2CCC(Cl)CC2)CCC1	1352150168	QEXNILRTYGTBBY-UHFFFAOYSA-N	307.843	1.868	50	20	DDGD	
CCN(CC(=O)O)C(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	1605412753	YETKYCIEOUEAPO-XGICHPGQSA-N	300.318	1.045	50	20	DDGD	
CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[C@]1(C)CCCO1	1609060918	ODWGCQZDACWYSJ-HNNXBMFYSA-N	314.349	1.542	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C[C@H](C)CC(=O)O)c1	1600175050	BYJFQRDREDXXMQ-LBPRGKRZSA-N	322.361	1.331	50	20	DDGD	
O=C(Cc1cncs1)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1601372177	QIZGYRNGEYIXNB-UHFFFAOYSA-N	308.271	1.898	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccc(CC(=O)O)cc2)c1Cl	1608155885	PIJLTVRTIXZSHH-UHFFFAOYSA-N	308.725	1.458	50	20	DDGD	
COC1(C(=O)NNc2ccc(C(=O)O)cc2F)CCOCC1	1606690338	JKDSHEGDSQQRND-UHFFFAOYSA-N	312.297	1.163	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)C2CCN(C3CC3)CC2)c1	1602447323	BQIHUHGIVQXAIN-UHFFFAOYSA-N	303.362	1.702	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)[C@@H]2Cc3ccccc3O2)cc1	1608780269	CHWAEIRQHZCNGF-HNNXBMFYSA-N	312.325	1.761	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)c1c[nH]nc1[C@H]1CCCO1	1602472994	OECODIGYNKRCBJ-GFCCVEGCSA-N	316.317	1.716	50	20	DDGD	
O=C(NN=Cc1cccc(F)c1F)[C@H]1CN2CCC[C@@H]2CO1	1549320423	ZQILIEPYPXYZCC-DGCLKSJQSA-N	309.316	1.278	50	20	DDGD	
CCn1cc([C@H]2OCC[C@@H]2C=NNC(=O)c2cccnc2)cn1	1552448572	UTWBEDWTDHHGKU-DOMZBBRYSA-N	313.361	1.791	50	20	DDGD	
CC1(C)CC[C@H](CC(=O)NNc2ncccc2C(=O)O)OC1	1573667735	TZLWLRNGYNXTQI-SNVBAGLBSA-N	307.350	1.818	50	20	DDGD	
CC(C)[C@H](C(=O)O)C(=O)NNC(=O)Cc1ccc(Cl)cc1	1588808222	SNNGVAJELJRHLM-LBPRGKRZSA-N	312.753	1.387	50	20	DDGD	
N[C@@H]1CCC[C@H]1CC(=O)NNC(=O)c1c[nH]c2ccccc12	1580378578	JJUMOJCCBMFXCV-GXFFZTMASA-N	300.362	1.446	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1[N+](=O)[O-])[C@]1(F)CCNC1	1580736960	FDMSRNFMHHDKML-NSHDSACASA-N	302.693	1.393	50	20	DDGD	
CC[C@H](C)CC(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2	1841488995	FIMMAZXLVMXOSW-NWDGAFQWSA-N	316.829	1.226	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)c2ccns2)C1	1842322158	ITCUXAFJWYYRRZ-VIFPVBQESA-N	317.773	1.495	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1nccc2occc12	1593163170	MZAMCVBKMPMJRZ-UHFFFAOYSA-N	322.288	1.160	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NC[C@@]2(C)C[C@@H]2Br)O[C@H]1C(=O)O	1599875244	QJGINDWUKCERDZ-LOLAFCHLSA-N	320.183	1.154	50	20	DDGD	
C/C=C/C(=O)N1CC2(CCCN2C(=O)CCBr)C1	1842639171	KLRWIESLRHMJQA-DUXPYHPUSA-N	315.211	1.551	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(CC(=O)O)cc1)C(F)(F)F	1599840396	RZNUZVNWAFIBSR-SSDOTTSWSA-N	305.256	1.891	50	20	DDGD	
CCCCNC(=O)NN=C(C)c1cc(-c2nn[nH]n2)ccn1	1590604714	SYTAMDYIMTYVTO-UHFFFAOYSA-N	302.342	1.085	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@]2(C(=O)O)CC=CCC2)c(O)c1	1594347109	VZLXFYPZXSJXNB-MRXNPFEDSA-N	318.329	1.273	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H]1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	1595182421	RNZDWMRJQJFKPS-HTQZYQBOSA-N	313.697	1.802	50	20	DDGD	
O=C(NNC(=O)[C@]1(C(=O)O)C[C@H]2CC[C@H]1C2)NC1CCCCC1	1594779163	KHGONDRAXXJVHH-MMPTUQATSA-N	323.393	1.541	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNc2ncccc2C(=O)O)n1	1594421582	NDGQROSFTFMGKN-SECBINFHSA-N	303.322	1.064	50	20	DDGD	
COCCn1ccc(C(=O)NNc2ccc(C(=O)O)c(F)c2)n1	1599270817	DJBRXECBLUUFHF-UHFFFAOYSA-N	322.296	1.124	50	20	DDGD	
CN1C[C@H]2[C@@H](NC(=O)NNc3cccc(C(=O)O)c3)CC[C@H]2C1	1598574724	ZEHUWVRFSPYWNH-YUTCNCBUSA-N	318.377	1.351	50	20	DDGD	
CC(C)n1ccc(C=NNC(=O)c2ccc(C(=O)O)cc2)n1	1776101618	QMYPNKCQJAWFFZ-UHFFFAOYSA-N	300.318	1.926	50	20	DDGD	
COc1cc(O)ccc1C=NNC(=O)c1ccc(C(=O)O)cc1	1776099275	XWLWUXICRBPDGJ-UHFFFAOYSA-N	314.297	1.863	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cc(C(=O)O)c(Cl)s1	1776027298	QHJIRSZUXNSUHO-UHFFFAOYSA-N	317.754	1.074	50	20	DDGD	
O=C(NN=Cc1c(C(=O)O)ccc2c1OCO2)c1ccccc1	1776014556	LDZMSIDKXQPEOF-UHFFFAOYSA-N	312.281	1.877	50	20	DDGD	
CCC(=NNC(=O)c1cnsn1)c1cc(C(=O)O)ccc1F	1776105193	RRRXMTHGMXPOAS-UHFFFAOYSA-N	322.321	1.920	50	20	DDGD	
C/C=C(\C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl	1796370629	NNYWHPVAAOAAOC-LCYNIUFTSA-N	318.776	1.077	50	20	DDGD	
O=C(CC1CC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl	1796804409	RYLKAMSGHSLJDE-LSCVPOLPSA-N	302.777	1.959	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)CNc1ccccc1)c1ccncc1	161038611	JUPRMCJFEWUEDJ-CYBMUJFWSA-N	312.373	1.835	50	20	DDGD	
C#CCOc1ccc(F)cc1NC(=O)NNc1ncccn1	161070357	HXSBHHJHIBNIJD-UHFFFAOYSA-N	301.281	1.776	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)COc1ccc(C)c(C)c1	158340110	KWUQRYRMAGINQU-UHFFFAOYSA-N	308.378	1.502	50	20	DDGD	
C[C@@]1(NS(=O)(=O)c2ccc(CCCl)cc2)CCOC1	160052005	HRMLRVIIYZVYEQ-CYBMUJFWSA-N	303.811	1.925	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CC1(O)CCCC1	160394255	HWUIGLPWTNEDPC-UHFFFAOYSA-N	306.362	1.080	50	20	DDGD	
CCc1nc(C(=O)NNc2nccc(N(CC)CC)n2)co1	164949824	OAPCFSMZPZTCAE-UHFFFAOYSA-N	304.354	1.630	50	20	DDGD	
Cn1c(NNC(=O)c2cc3occc3[nH]2)nc2ccccc2c1=O	152580325	PJDIJHIJNMMIEA-UHFFFAOYSA-N	323.312	1.765	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1F)c1cc[nH]c(=O)c1	152167418	MAXNSAVDNLBVIA-UHFFFAOYSA-N	309.684	1.242	50	20	DDGD	
CO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)CCCc1ccccc1	153452374	YTNJEVQQMNZWQG-HUUCEWRRSA-N	319.405	1.907	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1ccc(OCC2CC2)nc1	159281247	KFBRDEADAGEHOK-KAMYIIQDSA-N	301.346	1.931	50	20	DDGD	
CC[C@@H](NS(=O)(=O)c1ccc(CCCl)cc1)C(N)=O	379262375	NVWBCQOIEPCLLP-LLVKDONJSA-N	304.799	1.010	50	20	DDGD	
CCOC1CN(S(=O)(=O)c2ccc(CCCl)cc2)C1	383178770	IUFMKKXLGBJQFO-UHFFFAOYSA-N	303.811	1.877	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCN(C)C2=O)cc1	172466259	WCAQFYYNNWKSLO-NRMKIYEFSA-N	313.357	1.339	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cc(F)ccc2F)c1	103402930	OCBOVFZBRWFDMO-UHFFFAOYSA-N	301.252	1.911	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CC[C@@H]1CC[C@@H](C)O1	173235382	GGTPGHCAVLDWQF-NEPJUHHUSA-N	306.362	1.804	50	20	DDGD	
CC(=O)NNC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1	23198919	JBYCKHKOGLZRPP-UHFFFAOYSA-N	305.378	1.271	50	20	DDGD	
CN1CCC[C@H](CNC(=O)NNC(=O)CCc2ccccc2)C1	108588403	CJXDXSCCZIKIFJ-OAHLLOKOSA-N	318.421	1.291	50	20	DDGD	
O=C(CN1CCC[C@@H]1Cc1ccccc1)NNC(=O)C1CC1	112976400	MRWLGGSQBQBIEK-OAHLLOKOSA-N	301.390	1.251	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)n1	174894039	HPMQBTBLSRFZOA-LLVKDONJSA-N	320.397	1.119	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cnn(C)c2C)cc1	67474098	LTGMCMAGLBCUPH-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Cc1cc(F)ccc1F	173274668	SBRLGZJPJCUPFW-UHFFFAOYSA-N	320.295	1.977	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)cn1	21791492	IALNRZJNHYOHSS-WUXMJOGZSA-N	310.313	1.737	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1cccnc1S	66839945	RRBPUJYTMHJHKS-UHFFFAOYSA-N	305.334	1.513	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNc2ncnc3nc[nH]c23)c1	173942888	DVQCJJJAYHEECO-UHFFFAOYSA-N	313.277	1.326	50	20	DDGD	
Cc1cc(C)n(CCC(=O)NNC(=O)c2ccccc2O)n1	22225700	JZWYRFHSORFEIA-UHFFFAOYSA-N	302.334	1.057	50	20	DDGD	
CC(C)CO[C@H]1CCN([C@H](C)C(=O)NNC(=O)CC(C)C)C1	119793087	HGYIFGQOQKGSLX-KGLIPLIRSA-N	313.442	1.315	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)cc1F)NNc1ccnc(F)c1	119846992	WOJARUOTVBMRED-UHFFFAOYSA-N	324.262	1.372	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccccc2Cl)o1	129682745	PDJHMHVMKFBHBW-UHFFFAOYSA-N	321.720	1.641	50	20	DDGD	
CCCn1cc(NC(=O)C(=O)NNc2cccc(F)c2)cn1	120917262	QSQZQSFFAMCBOY-UHFFFAOYSA-N	305.313	1.514	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCC1(C2CC2)CC1	123252469	UDCQOTJHOBOFKL-UHFFFAOYSA-N	305.353	1.889	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccnn2C)c1C	121252508	HOCQTRVTODEDCS-GFCCVEGCSA-N	316.361	1.265	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N(C)CC2(N(C)C)CCC2)s1	189739268	HJUIVZBMHPBQTO-UHFFFAOYSA-N	324.450	1.827	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)C(=O)Nc1ccccc1Cl	123251541	ROCLTDGHDRXRMF-UHFFFAOYSA-N	306.709	1.068	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1cccc(F)c1	78406792	LZIGUBCQPNRBNN-UHFFFAOYSA-N	317.320	1.707	50	20	DDGD	
COC(=O)c1c(C)[nH]c(C(=O)NNc2ncc(F)cn2)c1C	122527744	PNTVTYSQRKMMJP-UHFFFAOYSA-N	307.285	1.104	50	20	DDGD	
Cc1ncsc1/C=C/C(=O)NNC(=O)NCC(F)(F)F	187445140	DMAPMLALUVZWBL-NSCUHMNNSA-N	308.285	1.357	50	20	DDGD	
Cc1cc(NNC(=O)CNC(=O)CCC2CCCC2)nc(C)n1	128917402	YWSAZVPPMLMYDV-UHFFFAOYSA-N	319.409	1.623	50	20	DDGD	
O=C(CCCNC(=O)c1ccc(F)cc1)NNc1ccncc1	180536749	PYVKNJPFSSBZCM-UHFFFAOYSA-N	316.336	1.874	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)/C=C/c2ccc(O)c(O)c2)o1	181174203	GJPLHXCCOIDWKE-QPJJXVBHSA-N	302.286	1.474	50	20	DDGD	
COCCN(C)CCNC(=O)/C(C#N)=C\c1ccc(F)cc1	182603038	RJHZSLSQAPJJTH-KAMYIIQDSA-N	305.353	1.427	50	20	DDGD	
COc1ccc(-c2ccc(C(=O)NNC(=O)CO)c(F)c2)cc1	182773603	BLWBTQWQSCOYPZ-UHFFFAOYSA-N	318.304	1.255	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(O)nc(CC(C)C)c2)[nH]n1	180935768	ZFTUSVNURQPALZ-UHFFFAOYSA-N	317.349	1.092	50	20	DDGD	
N#CC(C#N)=CNc1ccc(S(=O)(=O)/N=C2/CCCN2)cc1	73116036	TUUIPPBUJKTKQN-UHFFFAOYSA-N	315.358	1.500	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C[C@@H]1C=CCC1	198208729	GOZGUDSKTNWPOR-CYBMUJFWSA-N	318.373	1.968	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)CCO[C@H](C)CC(C)C)n1	86994819	XTTJTOHYGBPBDU-CQSZACIVSA-N	324.425	1.489	50	20	DDGD	
C=C[C@](C)(CC)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1	134908388	GVICNKUAOWEXRH-OAHLLOKOSA-N	314.349	1.026	50	20	DDGD	
COc1cccc([C@H](C)C(=O)NNC(=O)NCc2ccco2)c1	194433155	LPBXBHCTMOOEBY-NSHDSACASA-N	317.345	1.922	50	20	DDGD	
COCCn1cc(NC(=O)NNc2cccc([N+](=O)[O-])c2)cn1	194294261	BPEIZZYHDZAPJJ-UHFFFAOYSA-N	320.309	1.586	50	20	DDGD	
CCN1C[C@@H](C(=O)NNc2cccc([N+](=O)[O-])c2C)CC1=O	269582006	BOYIBNVAUHIFTB-JTQLQIEISA-N	306.322	1.215	50	20	DDGD	
COCCCOc1ccc(C(=O)NNC(=O)NC2CC2)cc1	267337558	IZLSICHIUSWDFY-UHFFFAOYSA-N	307.350	1.208	50	20	DDGD	
O=C(NCCCO[C@H]1CCOC1)NNc1c(F)cccc1F	268088071	AKLAMXFHVJLOEP-JTQLQIEISA-N	315.320	1.787	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCCC[C@H](C)CO)c1ccccc1	270526047	NLDAUKBFNITLSG-ZFWWWQNUSA-N	321.421	1.919	50	20	DDGD	
CCN1CCN(c2cccc(NC(=O)NNC(=O)OC)c2)CC1	274854124	XOYQAKJLJQHUNR-UHFFFAOYSA-N	321.381	1.221	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNc1ccc(C(F)(F)F)cn1	274730132	ICWLHJZFJJMYPR-MRVPVSSYSA-N	309.313	1.658	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)CSc1ccccc1O	270682850	IIBNQSZOGPBUNP-UHFFFAOYSA-N	312.391	1.304	50	20	DDGD	
CC(F)(F)CC(=O)NNC(=S)NCCc1cccs1	277788348	MZNZMMPRWJALTF-UHFFFAOYSA-N	307.391	1.831	50	20	DDGD	
COCc1cccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)c1	274063291	MAWCSMUMTDYFEA-UHFFFAOYSA-N	321.377	1.355	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)C(=O)N1CCC[C@@H](C)C1	274441704	HNGOKBNZKRQITH-LLVKDONJSA-N	303.362	1.015	50	20	DDGD	
COc1cc(SC#N)ccc1OS(=O)(=O)[C@@H]1CCOC1	270898246	ZMECPDQWGCDFME-SNVBAGLBSA-N	315.372	1.766	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@H]1CCO[C@@H](C)C1	272074943	LWKZLAYBUUNNHW-QWRGUYRKSA-N	323.418	1.828	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(O[C@H]2CCOC2)cc1	278653495	CQIVBUBZYBNESK-ZDUSSCGKSA-N	321.402	1.149	50	20	DDGD	
CCNC(=O)N(C)NC(=O)/C=C/c1ccc(C(=O)OC)cc1	273035160	UGZYJPQJGLYSKU-JXMROGBWSA-N	305.334	1.179	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc2oc(C)nc2c1	281365081	ATOUWYQOKLUMSX-UHFFFAOYSA-N	324.431	1.608	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O	286140598	CAZQNMKYOGLTGC-BQBZGAKWSA-N	320.246	1.121	50	20	DDGD	
CSSCCNC(=O)N[C@H]1CCc2nc(C)nn2C1	284287028	SLAIKQFQEHTPRG-VIFPVBQESA-N	301.441	1.212	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnc([C@@H](C)O)s2)s1	282872552	ARCVZRQSFNBKML-SSDOTTSWSA-N	311.388	1.641	50	20	DDGD	
C[S@@](=O)C1(CNC(=O)NNc2cc(Cl)ccn2)CC1	282054172	BSOMTXJAQOXMOZ-LJQANCHMSA-N	302.787	1.272	50	20	DDGD	
CCNC(=O)CCCC(=O)NNc1ccc([N+](=O)[O-])cc1C	288706418	NXXWFDYKFIAYNF-UHFFFAOYSA-N	308.338	1.653	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccn(C(C)C)n2)c(O)c1	280832000	VDQUJVQOPIAGLF-UHFFFAOYSA-N	317.349	1.945	50	20	DDGD	
COC(OC)c1ccc(C(=O)NNc2nccnc2Cl)o1	287287257	BDQUKVOECNZMJZ-UHFFFAOYSA-N	312.713	1.771	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)[nH]1	802004729	TZOJKVMDMSVZJW-UHFFFAOYSA-N	305.244	1.631	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccnc(C(F)(F)F)c2)n1	808421573	MXTYWFHXUNBCHA-UHFFFAOYSA-N	324.262	1.879	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	297214578	XBWPASTWFHPNDJ-NXEZZACHSA-N	302.296	1.817	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cc([N+](=O)[O-])c[nH]1	805374830	YSGISKBUPXAAFA-UHFFFAOYSA-N	305.250	1.896	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc(C(N)=O)o1	805382690	UOTFVOWVIFUILE-UHFFFAOYSA-N	304.262	1.352	50	20	DDGD	
C[C@@H](CCOc1ccccc1)C(=O)NNC(=O)[C@@H]1CCCCO1	295672334	XCWRFYMBCJSZSK-ZFWWWQNUSA-N	320.389	1.808	50	20	DDGD	
C[C@@H](CN(C)C)NC(=O)NNC(=O)Cc1ccc(Cl)cc1	807577038	AIJJGBWXZRFQDX-JTQLQIEISA-N	312.801	1.163	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(F)cc1O	807369603	AWXYGANUOYDIBO-UHFFFAOYSA-N	314.313	1.082	50	20	DDGD	
CCC[C@H](CC)NC(=O)NNC(=O)COc1ccc(OC)cc1	299389749	TVTJCDIZKWZZIU-LBPRGKRZSA-N	323.393	1.983	50	20	DDGD	
Cc1ccccc1OCCNC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	297493223	WJLBFQNIXYYBMS-JSGCOSHPSA-N	321.377	1.272	50	20	DDGD	
Cc1nc(C2CC2)ccc1C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	295617071	OMYGDJCIPPWHGN-XPTSAGLGSA-N	303.362	1.596	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CC2CC2)cc(OC)c1OC	298383799	ZOYLJGDFYRAEEB-UHFFFAOYSA-N	308.334	1.274	50	20	DDGD	
Cn1nncc1NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	809904127	DIEAVBZQJCZPPL-UHFFFAOYSA-N	318.381	1.184	50	20	DDGD	
COC(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2ccc[nH]2)c1	809972684	YOAHCSSRDLFTQJ-UHFFFAOYSA-N	321.720	1.530	50	20	DDGD	
CSc1c(F)cccc1C(=O)NNC(=O)N=c1cc[nH]cc1	802025518	AKKADMSZHUKNEG-UHFFFAOYSA-N	320.349	1.831	50	20	DDGD	
N#CC1=CCN(C(=O)C(=O)N2CCN(c3ccccc3)CC2)CC1	292004967	XLZURBDDFVXSDJ-UHFFFAOYSA-N	324.384	1.017	50	20	DDGD	
C[C@@](O)(Cc1ccccc1)C(=O)NNC(=O)Nc1ccccc1	801984863	MJFYFDCHCLESCR-QGZVFWFLSA-N	313.357	1.833	50	20	DDGD	
Cc1cc(F)ccc1-n1cc(O)c(C(=O)NN(C)C2CC2)n1	819648556	IMXRRYMLKYMVKA-UHFFFAOYSA-N	304.325	1.764	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1cccc(F)c1O	814953313	YZVZNMLTYOEQOO-UHFFFAOYSA-N	304.277	1.766	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1nc(-c2ccccc2)no1)[C@H](C)N	817933931	XSIULYRVORHFDF-CMPLNLGQSA-N	303.366	1.799	50	20	DDGD	
COc1cccc(NCC(=O)NN=C(C)c2cc(OC)no2)c1	814764849	ZBHXCLNTCRCYFY-UHFFFAOYSA-N	318.333	1.644	50	20	DDGD	
N#Cc1csc(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)c1	822846266	SQYIDEMFGWIDSH-UHFFFAOYSA-N	323.341	1.564	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N(C)[C@H](C)c1cccs1	827315049	NDHBUNTXRZKKMU-OUAUKWLOSA-N	311.407	1.907	50	20	DDGD	
Cc1cccc(-n2ncc(C(=O)NN(C)[C@@H](C)CO)c2C)c1	823977526	YZOGFSVGHDKVIB-LBPRGKRZSA-N	302.378	1.447	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cnn(Cc2ccccc2Cl)c1	495826003	UOAUOLNVBBHWFZ-UHFFFAOYSA-N	322.752	1.928	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCC(C(C)(C)O)CC2)cn1	827763524	KEIMHLGPSJDGOQ-JYRVWZFOSA-N	302.378	1.337	50	20	DDGD	
CC(C)[C@H](CO)[C@@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(C)C	490974250	MWSAUYZIKAVPLA-IDVSTWMWSA-N	318.421	1.732	50	20	DDGD	
O=C(NN=Cc1nccn1CC(F)(F)F)c1ccccc1O	727684063	PAQLCWAKLNQSCD-UHFFFAOYSA-N	312.251	1.915	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NC1(CO)CCSCC1	491008414	HXQWBKXWNGTMOB-LCYFTJDESA-N	318.398	1.673	50	20	DDGD	
CCN(Cc1ccc(C(=O)NN(C)[C@@H](C)CO)cc1)C(C)C	823966014	XUGSYAWIOGZCRK-AWEZNQCLSA-N	307.438	1.874	50	20	DDGD	
CC(C)(C)OC(=O)[C@H](C(=O)NNc1ncccn1)C(C)(C)C	820935837	YCEFAMLSSIZQIE-JTQLQIEISA-N	308.382	1.924	50	20	DDGD	
Cn1nc(C(F)(F)F)cc1C(=O)NNC(=O)NC1CCCC1	822834740	XBODFXCTDNVPSH-UHFFFAOYSA-N	319.287	1.326	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cc2n(n1)CCCC2	827840630	VTGLMARFRIMQQS-UHFFFAOYSA-N	314.345	1.763	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1cn(C)nc1-c1ccccc1	588616093	RAUMEDZDXVORKF-ZROIWOOFSA-N	316.386	1.843	50	20	DDGD	
COC(=O)N(C)NC(=O)CCCn1c(=O)oc2ccccc21	495629888	XHOIFIGSYGEVLW-UHFFFAOYSA-N	307.306	1.104	50	20	DDGD	
CN(NC(=O)C[C@@H]1COCCN1C(=O)OC(C)(C)C)C1CC1	496415582	GPJOCWCRBYNBQP-GFCCVEGCSA-N	313.398	1.138	50	20	DDGD	
CCCONC(=O)NNC(=O)c1ccc(OCC)c(OC)c1	828227842	WSXNGHAOJUMXRL-UHFFFAOYSA-N	311.338	1.380	50	20	DDGD	
C[C@H](O)C[C@H]1CCCCCN1C(=O)/C(C#N)=C/c1cnn(C)c1	491158347	DYEHQFFHWKBYJF-LCESUFGFSA-N	316.405	1.869	50	20	DDGD	
Cc1cc(C(=O)NN(C)[C@H](C)CO)nn1-c1cccc(C#N)c1	823939972	SCZWVBMUXAFMAY-GFCCVEGCSA-N	313.361	1.010	50	20	DDGD	
COc1cc(C(=O)NN(C)[C@H](C)CO)ccc1OC(F)F	823988521	UYENRILUASZZIH-MRVPVSSYSA-N	304.293	1.254	50	20	DDGD	
CC(=NNC(=O)NCCNC(=O)OC(C)(C)C)[C@@H]1CCCO1	495235747	CLMLWRFDJVSJCJ-NSHDSACASA-N	314.386	1.365	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc(S(=O)(=O)C2CC2)cc1	822368260	UPILRDYEMJYASX-UHFFFAOYSA-N	324.402	1.430	50	20	DDGD	
O=S(=O)(CCl)N1CCN(c2c(F)cccc2F)CC1	827756559	VYMWUHFHGLRRGM-UHFFFAOYSA-N	310.753	1.613	50	20	DDGD	
CCN(CCO)NC(=O)CCc1c(C)nn(CC(C)C)c1C	823838697	UPOMAVQVEAYVGF-UHFFFAOYSA-N	310.442	1.434	50	20	DDGD	
Cc1cc(NNC(=O)CNC(=O)OCc2ccccc2)ncn1	491548886	JUCFTEVKILPPOE-UHFFFAOYSA-N	315.333	1.155	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCC2(CCO)CCCCC2)cn1	491079349	AKINOPJLRREPAK-DHDCSXOGSA-N	316.405	1.776	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(N)=C(C#N)C#N)cc1-c1nn[nH]n1	737077195	SUKDUJAYBVFBAE-WMZJFQQLSA-N	318.300	1.042	50	20	DDGD	
CC1(c2nc(-c3ccc(B(O)O)cc3)no2)CCC(F)(F)CC1	585051306	BDGIQRBPYFPPDB-UHFFFAOYSA-N	322.120	1.883	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)c1ccccc1C)C(F)(F)F	733336497	UVDHVYGSHSORSY-SNVBAGLBSA-N	319.283	1.516	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1nc2ccccc2n1C)C1CCC1	837311208	SUJDWKUGULAXET-NSHDSACASA-N	314.389	1.699	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)Cc1ccsc1	730781393	LPMOLNOHPLEVAI-UHFFFAOYSA-N	306.343	1.223	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@H](C)C1CCC1	837311764	UCSKSEXWWOSKQP-NSHDSACASA-N	306.362	1.658	50	20	DDGD	
N#Cc1c(N2CC[C@H](B(O)O)C2)nc2c(c1C#N)CCCCCC2	585074230	VCCUEQOOJBRFGY-LBPRGKRZSA-N	324.193	1.537	50	20	DDGD	
O=C(O)NCCCC(=O)NNC(=O)c1ccc2ccccc2n1	739957515	UHPSIYKGLKPGRU-UHFFFAOYSA-N	316.317	1.044	50	20	DDGD	
CCCCOCC(=O)NNC(=O)c1cc(OC)cc(OC)c1	735630433	NMMSEXSSKYNZGX-UHFFFAOYSA-N	310.350	1.282	50	20	DDGD	
CCCCn1ncc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1C	831578984	WVMMLRIDHLBXSX-NWDGAFQWSA-N	323.397	1.569	50	20	DDGD	
COc1c(O)ccc(C=NNC(=O)C2CCCC2)c1[N+](=O)[O-]	834940921	KQXBEWCTXWFFFU-UHFFFAOYSA-N	307.306	1.949	50	20	DDGD	
C=C[C@@H]1OCCC[C@H]1NC(=O)NNC(=O)Cc1ccccc1C	836615814	VBRZADFDRJTVJW-CABCVRRESA-N	317.389	1.602	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ncncc2Cl)[C@@H]2CCCC[C@H]2N1	832672962	YIRAZSCOIIYDFC-ATZCPNFKSA-N	323.784	1.268	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNC(=O)c1ccc2ccccc2n1	731865472	KUGGAHNVHXTLPX-HNNXBMFYSA-N	312.373	1.480	50	20	DDGD	
Cc1csc(NC(=O)NNC(=O)COc2ccccc2O)n1	730818803	SXUZGGLRQVNOMP-UHFFFAOYSA-N	322.346	1.389	50	20	DDGD	
C[C@@H](Oc1ccccc1)C(=O)NNc1ccc(C(=O)O)cn1	833540670	OPFMGJXFSKWVLG-SNVBAGLBSA-N	301.302	1.690	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H]1CCCCN1Cc1ccccc1	910164206	VVLFQHXBOGOEEO-GOEBONIOSA-N	305.422	1.385	50	20	DDGD	
COC(=O)CCCC(=O)NNc1cccc(C(=O)OC)c1F	839788562	LBWBHPUOZGFDLH-UHFFFAOYSA-N	312.297	1.399	50	20	DDGD	
O=S(=O)(CCl)NCCOc1ncccc1C(F)(F)F	830919278	YMLJPAPUYJDJRS-UHFFFAOYSA-N	318.704	1.595	50	20	DDGD	
CC(=O)Nc1ccc(O)c(C(=O)NNC(=O)CC(F)(F)F)c1	919817160	QDLWCAKMCUHLIR-UHFFFAOYSA-N	319.239	1.064	50	20	DDGD	
CN(CCCc1ccccc1)CC(=O)NNC(=O)C(C)(C)C	744388871	YFBLOWOCRSWLFQ-UHFFFAOYSA-N	305.422	1.745	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1ncc(F)cc1F)C(F)(F)F	838472301	NZDHMSPDTJODFI-ZETCQYMHSA-N	314.214	1.563	50	20	DDGD	
C[C@@H]1CCC[C@@H](OCC(=O)NNc2ncnc3[nH]cnc23)C1	743471758	UZTFIUUJCRISAL-NXEZZACHSA-N	304.354	1.391	50	20	DDGD	
CCn1cc(C(=O)NN(C)C[C@H](C)O)c(-c2ccccc2)n1	910183688	SPVWKNMXVNOSOL-LBPRGKRZSA-N	302.378	1.527	50	20	DDGD	
Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NN)c2)cc1	917371806	UVCXMIRJPHPKFM-UHFFFAOYSA-N	319.386	1.708	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccccc1F)[C@H]1CCCNC1	841929602	WOFSLQKAQJQPJS-YPMHNXCESA-N	322.384	1.087	50	20	DDGD	
O=C(NNC(=O)N1C[C@@H]2[C@@H](C1)C2(F)F)c1cc2ccccc2o1	846711993	RQKWFMGGIKKATF-NXEZZACHSA-N	321.283	1.984	50	20	DDGD	
COC(=O)c1cccc(NC(=O)NNC(=O)C2CCCC2)n1	844790223	XODHWEPYAGIPGI-UHFFFAOYSA-N	306.322	1.211	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)[C@H]1CCO[C@H]1C)N1CCCCC1	843973155	JZSSWQNCHCZXLT-MELADBBJSA-N	311.426	1.069	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cccc2c1OCO2	740762677	BRRBNRVWTFPNRV-UHFFFAOYSA-N	305.334	1.170	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc(-c2ccco2)s1	843653307	WTOAOJVONGOKBV-RKDXNWHRSA-N	321.358	1.589	50	20	DDGD	
Cc1nn(CC(=O)NN(C)C[C@H](C)O)cc1-c1ccccc1	910151770	FTLSIKHKXQMRKP-LBPRGKRZSA-N	302.378	1.202	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1	748136832	STBDQSCDDDADHW-UHFFFAOYSA-N	304.306	1.057	50	20	DDGD	
CC(C)O[C@@H](C(=O)NNC(=O)c1ncccn1)c1ccccc1	841351717	BSMQNGPKAHMCSE-CYBMUJFWSA-N	314.345	1.404	50	20	DDGD	
CC[C@@H](CC#N)NCC(=O)NNC(=O)c1ccccc1Cl	846984419	BAUWTCPZKGBKNX-JTQLQIEISA-N	308.769	1.383	50	20	DDGD	
CCOc1ccc(C=NNC(=O)NCC(F)(F)F)c(O)c1	917553283	HWRQAIAEMQBGCT-UHFFFAOYSA-N	305.256	1.986	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=S)Nc1ccc(C)cc1	740772115	GUNKHUBMYVVUQJ-UHFFFAOYSA-N	322.434	1.617	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)NCc1ccn(C)n1	840335875	LSASQLVAMQVQKN-UHFFFAOYSA-N	323.788	1.813	50	20	DDGD	
O=C(NNc1cnccn1)[C@H]1CCO[C@H](c2ccccc2)O1	847755466	YINUCMDMEDAWRB-DOMZBBRYSA-N	300.318	1.424	50	20	DDGD	
CN1CCC(CC(=O)NNC(=O)c2cccc(Cl)n2)CC1	912508360	SGRUELBSFRACBR-UHFFFAOYSA-N	310.785	1.228	50	20	DDGD	
Cc1c(Br)cccc1CC(=O)NN(C)C[C@H](C)O	910151925	HFAMIIRPYHBQEV-VIFPVBQESA-N	315.211	1.644	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)C3CC4(CCC4)C3)nc21	843798380	KKYDYVDRXLMCPE-UHFFFAOYSA-N	302.338	1.092	50	20	DDGD	
COCC[C@@H](C)CNC(=O)NNc1ccc2c(=O)[nH]ccc2c1	840396440	PZOUNTVGQFGBML-LLVKDONJSA-N	318.377	1.827	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@](C)(O)[C@@H](C)c1ccccc1	747366761	LUMRZRUXZDFQDY-LRDDRELGSA-N	307.394	1.672	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(-n2ccnc2)cc1	843646576	QMVROMPFIJWSPX-FZMZJTMJSA-N	314.345	1.058	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)ccc1C	843647200	SCFWPDZPSKNPMI-GXFFZTMASA-N	319.361	1.139	50	20	DDGD	
CC(C)(C)CC(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1	744485219	TVIDIGWILTUMPV-UHFFFAOYSA-N	317.345	1.299	50	20	DDGD	
O=C(NN=Cc1cc2ccccc2o1)N[C@H]1CCS(=O)(=O)C1	920384643	NLBAGMLOZXFINE-NSHDSACASA-N	321.358	1.253	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)N[C@H]1CCN(CC(F)F)C1	841594628	NATBSFHWKFBTGQ-QMMMGPOBSA-N	319.743	1.701	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)c1cc(-c2ccccc2)on1	755090984	LTTWCKMMYFUIMX-NSHDSACASA-N	317.345	1.775	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2ccc(S(C)(=O)=O)cc2)o1	752174919	QSIQDTJHDSQGCF-UHFFFAOYSA-N	306.343	1.755	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1cnc2ncccn12	755587520	UTHDZOUWWWXXST-CYBMUJFWSA-N	314.393	1.301	50	20	DDGD	
N[C@@H]1CN(S(=O)(=O)CBr)C[C@H]1c1ccccc1	850587874	MRLWAZPAWUSDOT-WDEREUQCSA-N	319.224	1.095	50	20	DDGD	
C[C@H]1COC[C@@H]1NC(=O)NNC(=O)c1ccc2ccccc2n1	925987514	JXKKUQSZFPOOFV-HZMBPMFUSA-N	314.345	1.214	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc3c(s2)CCC3)O1	756900379	ZUDISOLZOTVORU-QWRGUYRKSA-N	308.403	1.955	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cccc(C(=O)NC)c1	929386610	RXTKAROVBJDEIZ-UHFFFAOYSA-N	302.334	1.002	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCCN2C(C)C)cc1	929289195	MLSVSMXXJCLTSJ-HNNXBMFYSA-N	319.405	1.394	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H](CC(=O)O)CC(C)C)nn1	851653453	MZPXRFAWLCMFJL-NSHDSACASA-N	309.370	1.548	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCNC(=O)[C@H]1c1cccc(C)c1	856207561	IRFQOYADJFDAQJ-ATGUSINASA-N	313.357	1.439	50	20	DDGD	
CC1(C)OCC(NC(=O)NC[C@]2(C)C[C@H]2Br)CO1	856884829	KYIGRZBGEKYGCF-SKDRFNHKSA-N	321.215	1.611	50	20	DDGD	
NCCn1cc(C(=O)NNc2ccccc2C(F)(F)F)nn1	852787694	UWSWRAVTTSMNCX-UHFFFAOYSA-N	314.271	1.013	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](C)C[C@@H]1CCOC1	759718708	OJUJRZQGWAKUAI-OLZOCXBDSA-N	305.378	1.754	50	20	DDGD	
NC(=O)c1cc(C(=O)NNC(=O)c2cccc3ccccc23)co1	759887744	XZWXHGCKYAOIGB-UHFFFAOYSA-N	323.308	1.607	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H]1CCc2cccnc21)C1CC1	855097613	USVXCCFUHWODCX-CABZTGNLSA-N	304.419	1.405	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCC(=O)c1cc(C)sc1C	854928207	PBSZAYYYNLOTFW-UHFFFAOYSA-N	313.448	1.795	50	20	DDGD	
CC(C)CNC(=O)c1ccc(NC(=O)NNC(=O)C2CC2)cc1	753936268	ZLTMNYCMLJKAPP-UHFFFAOYSA-N	318.377	1.635	50	20	DDGD	
C[C@@]1(CNC(=O)c2cnc3[nH]cnc3c2)C[C@H]1Br	857395882	VLUSRWZFWAKHED-SKDRFNHKSA-N	309.167	1.861	50	20	DDGD	
Cc1cc(=O)c(C(=O)NC[C@@]2(C)C[C@@H]2Br)cn1C	857388813	WFUPJTDXRPZMML-WCQYABFASA-N	313.195	1.597	50	20	DDGD	
CCCOc1ccc(C(=O)NN=Cc2cnnn2C)cc1OC	751134681	OETKGIHMYQLFCW-UHFFFAOYSA-N	317.349	1.376	50	20	DDGD	
CN1CCC[C@H](CNC(=O)NC[C@]2(C)C[C@@H]2Br)C1	856838613	DIDCZHWTBAXKTI-MDZLAQPJSA-N	318.259	1.801	50	20	DDGD	
Cc1nn(C)cc1C1=NO[C@@H](C(=O)NCC(Cl)Cl)C1	935967141	CUEDFSHVAKREFP-SECBINFHSA-N	305.165	1.141	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1c(F)cc(C)cc1F	850319891	QSXQCTIJIHHUCW-QMMMGPOBSA-N	314.288	1.376	50	20	DDGD	
COc1ccccc1SCC(=O)NN=Cc1cnc(C)n1C	853325277	FEIVYPMYFHLWAW-UHFFFAOYSA-N	318.402	1.980	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)NC2CC(C)C2)c1	753020844	MCQZTOAYNPEGLC-UHFFFAOYSA-N	307.350	1.446	50	20	DDGD	
COC(=O)CC1CCC(=NNC(=O)N=c2cc[nH]cc2)CC1	863116005	GBLXYZCUYHRTKS-UHFFFAOYSA-N	304.350	1.734	50	20	DDGD	
Cc1cc(=NNC(=O)c2sc([C@H]3CCOC3)nc2C)cc[nH]1	869386912	DNFAMBMASAIADE-NSHDSACASA-N	318.402	1.838	50	20	DDGD	
COC/C=C/C(=O)NNC(=O)c1cc2c(s1)CCCCC2	864538648	ZQPJRZOQSVWMKQ-VMPITWQZSA-N	308.403	1.981	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(N(C)C)cc1	863149309	WZKAMHLJAOEQEN-AWEZNQCLSA-N	302.378	1.262	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cnc(C2(C)OCCO2)s1	861294224	PUPUTHQEVNRPNO-UHFFFAOYSA-N	320.374	1.823	50	20	DDGD	
CCOCn1nc(C)c(CC(=O)NNc2ncc(F)cn2)c1C	867043229	ICYVUUGRDSSZBU-UHFFFAOYSA-N	322.344	1.109	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)n1	863881355	AHJKCERPCQWIML-AEGPPILISA-N	309.373	1.572	50	20	DDGD	
CC(C)Oc1ccccc1NC(=O)C(=O)NNc1cnccn1	766258189	BVDXLVDXDHAEDE-UHFFFAOYSA-N	315.333	1.346	50	20	DDGD	
COc1ccc(C)nc1NC(=O)NNC(=O)c1ccccn1	765304848	YFSNTXJAEMHSSS-UHFFFAOYSA-N	301.306	1.260	50	20	DDGD	
CSSCCNC(=O)c1ccc2c(c1)C(=O)NCCO2	935872528	HLECELYYIYIQOM-UHFFFAOYSA-N	312.416	1.550	50	20	DDGD	
CC(C)Cn1[nH]c(CC(=O)NNc2ccnc(F)c2)cc1=O	935307809	GRYCBZYWXHOTOW-UHFFFAOYSA-N	307.329	1.052	50	20	DDGD	
COC(=O)CN(C(=O)[C@H](Br)C(C)(C)C)C1CC1	768244154	YUHCRCFLBJFKOL-JTQLQIEISA-N	306.200	1.960	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCCc1ccc(Cl)nc1	761774427	ITQXRUKFHWATTG-UHFFFAOYSA-N	324.690	1.560	50	20	DDGD	
COCCn1cc(C(=O)NNc2nccnc2C2CCC2)cn1	868339555	CKFINAZOJRTRCF-UHFFFAOYSA-N	316.365	1.344	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)Nc1cc(F)cc(F)c1)C1CC1	861566470	WPFFETBPPCMHQT-GFCCVEGCSA-N	313.304	1.933	50	20	DDGD	
NC(=O)c1csc(C(=O)NNCC(F)(F)C(F)(F)F)c1	863094413	JDWUDWMBLZCDED-UHFFFAOYSA-N	317.239	1.279	50	20	DDGD	
Cc1cc(C)c(C=NNC(=O)[C@H](C)CN2C[C@H](C)O[C@H](C)C2)[nH]1	760243469	ZQHMUUDHFMPKCT-YUELXQCFSA-N	320.437	1.827	50	20	DDGD	
COc1ccc(C(=O)NNc2ncccc2[N+](=O)[O-])nc1Cl	768721176	KCWMZPFSEGYIPU-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
Cc1cc(C)c(C=NNC(=O)CNC(=O)c2cccnc2)c(C)c1	763193545	QPAOHBGYUOEPJI-UHFFFAOYSA-N	324.384	1.887	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCCCn1cncn1	767030045	AYLBZAPWQFDTPF-VIFPVBQESA-N	303.204	1.594	50	20	DDGD	
C[C@@H](CN1CCCC1=O)NS(=O)(=O)CC(C)(C)CCl	866557576	OTVZTPCUJAXTLG-JTQLQIEISA-N	310.847	1.182	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C2(F)CCOCC2)cc1	868118422	PKADQIJEFZJSOY-UHFFFAOYSA-N	311.313	1.367	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2F)C[C@@H](C)O1	767320978	ZEVDCQNFOVZZMA-JGPRNRPPSA-N	309.341	1.726	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCc1nnc(C)n1C	1117147720	WLKYRGYXIHXFIB-UHFFFAOYSA-N	324.816	1.148	50	20	DDGD	
CC(=O)N1CCC(NC(=O)[C@@H](Br)C(C)(C)C)CC1	766988493	PDFVJPUENGNCJJ-LLVKDONJSA-N	319.243	1.923	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CSCC(F)(F)F)nc1	762076588	KQSHCQWXNUTEJF-UHFFFAOYSA-N	323.296	1.607	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCc1ccncc1	762667348	MKORZEHPASYOQY-UHFFFAOYSA-N	314.345	1.277	50	20	DDGD	
Cc1coc(C(=O)OCC(=O)NNC(=O)c2ccccc2)c1C	1117138061	AVHUPXOJPWTHJK-UHFFFAOYSA-N	316.313	1.514	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)Cc3cc[nH]n3)cc2s1	761734711	GGKQIIWJBINZTO-UHFFFAOYSA-N	315.358	1.332	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNC(=S)Nc1cc(C)ccc1F	874946405	IHQBGNQLZWJCOG-AWEZNQCLSA-N	311.382	1.779	50	20	DDGD	
CN(NC(=O)CCc1nc2cccnc2[nH]1)C(=O)OC(C)(C)C	1117808040	GNSHJJHWLPNICH-UHFFFAOYSA-N	319.365	1.789	50	20	DDGD	
O=C(NCCc1cnccn1)NNc1cc(F)c(F)c(F)c1	775456146	XVQYOHGIDZIBHW-UHFFFAOYSA-N	311.267	1.763	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)C1(F)CCOCC1	879140351	CJCQXQCDGUDRJU-UHFFFAOYSA-N	306.297	1.297	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc(OC)c(OC)c2)n1	775428315	PHFBQFOHIZMHNS-UHFFFAOYSA-N	319.321	1.651	50	20	DDGD	
CNC(=O)CCCC(=O)NNC(=S)Nc1cc(C)ccc1C	873755345	IREPNJMVILFQCF-UHFFFAOYSA-N	322.434	1.537	50	20	DDGD	
CC[C@@H]1C[C@H](C(=O)NNC(=O)c2cccc(C#N)c2)CCO1	779904419	ZABBOSTYBAXKCK-ZIAGYGMSSA-N	301.346	1.524	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)CC[C@H](C)OC)cn1	874954266	RGHHZDHDROJZKW-VIFPVBQESA-N	312.395	1.223	50	20	DDGD	
COC[C@](C)(O)C(=O)NNc1ccccc1OC(F)(F)F	779207356	STCAKNPKMYDGGM-NSHDSACASA-N	308.256	1.426	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)C(=O)NN=Cc1cc[nH]c1	771568727	UKXDKCPNHHBXPG-UHFFFAOYSA-N	304.737	1.435	50	20	DDGD	
CC[C@H](C)n1ncc(NC(=O)NNC(=O)CN(C)C)c1C1CC1	775692247	XYBXPWREEZRUGS-JTQLQIEISA-N	322.413	1.446	50	20	DDGD	
Cc1cccc(CC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)c1	772077767	ZECZEABKFIRPRK-CYBMUJFWSA-N	320.389	1.663	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCN1C1CCCC1)C1CCOCC1	883068671	DPBICSSLIYCVDJ-HNNXBMFYSA-N	323.437	1.358	50	20	DDGD	
CC(C)(C(=O)NNC(=O)C1CCOCC1)c1cccc(F)c1	883066272	QXMDSNADUUBFDG-UHFFFAOYSA-N	308.353	1.677	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccsc1C	880400011	CREPIGKBFYKZJF-QMMMGPOBSA-N	301.368	1.261	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNc2ccc(Cl)nn2)c1	784793077	NUIOOILTSGJQST-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCO2)c1cc(C)nn1C	788954542	MAKPNAZSIPRNDK-UHFFFAOYSA-N	300.318	1.611	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2cc3c(s2)CCC3)CCCOC1	781144362	PTFXSWYHOODIOY-HNNXBMFYSA-N	308.403	1.815	50	20	DDGD	
C[C@](O)(CNS(=O)(=O)CCCCl)c1ccc(F)cc1	882021576	CGWPFVLZNWZIKC-LBPRGKRZSA-N	309.790	1.582	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](O)c2cccc(OC)c2)nc1	781537824	UVTFSWDGQUTRHU-AWEZNQCLSA-N	303.318	1.276	50	20	DDGD	
O=C(CCN1C(=O)CCC1=O)NNc1ccc(F)cc1Cl	885135384	BPVMOISTDCQLGX-UHFFFAOYSA-N	313.716	1.461	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNc1ccc(S(C)(=O)=O)cc1	1120622433	QGMCSIFSTHKNLO-QWHCGFSZSA-N	312.391	1.348	50	20	DDGD	
Cn1nccc1COCC(=O)NNc1cc(F)c(F)cc1F	786425571	FBRZCFHLJNBOCZ-UHFFFAOYSA-N	314.267	1.497	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1cccc(-n2cccn2)c1	784801767	XAVWXQHWBVQSDK-UHFFFAOYSA-N	322.328	1.349	50	20	DDGD	
CCOC(=O)C1(CC(=O)NNc2nc(C)cc(OC)n2)CCC1	789807068	QOFCQHZTWIIZCW-UHFFFAOYSA-N	322.365	1.360	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)[C@H]1CCCOC1	780041907	ACUGAAUJNGJFGL-YPMHNXCESA-N	323.368	1.514	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1[N+](=O)[O-])c1coc(C)n1	788978607	PBPAVHXIVJPBDE-UHFFFAOYSA-N	318.289	1.810	50	20	DDGD	
CC1(CCC(=O)NNC(=O)CCNC(=O)OC(C)(C)C)CC1	897687294	RTZXBDKRAUVMQN-UHFFFAOYSA-N	313.398	1.629	50	20	DDGD	
COc1ccc(Oc2ccc(C=NNC(=O)CO)cc2)cc1	783860414	YMWANAWZKTUAHL-UHFFFAOYSA-N	300.314	1.930	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(C)c(Cl)c2F)n[nH]1	788760545	IOAKNSAMIMRYNN-UHFFFAOYSA-N	310.716	1.894	50	20	DDGD	
COc1ccc2nc(C=NNC(=O)c3cnn(C)c3)sc2c1	788716756	MIMAHDWUDFOODK-UHFFFAOYSA-N	315.358	1.802	50	20	DDGD	
C[C@H](NC(=O)CC(C)(C)C)C(=O)NNC(=S)NC(C)(C)C	899996338	SVDVRSQIARBIRY-VIFPVBQESA-N	316.471	1.221	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@@H]1CCC(F)(F)C1	795087186	RJLOWWPGQMACEO-SNVBAGLBSA-N	300.280	1.951	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)c3cccn32)n1	794077151	SQVRVSGWDWOJSH-CYBMUJFWSA-N	312.329	1.170	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)Cc2csc(C)n2)on1	792925194	JGVCCXXSRNUFCL-UHFFFAOYSA-N	322.346	1.309	50	20	DDGD	
C=C(CBr)COC(=O)[C@H]1CCN(C(=O)CC)C1	795562938	YOKUKFUEZXCPEL-JTQLQIEISA-N	304.184	1.739	50	20	DDGD	
CO[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(C)n2)C1(C)C	792979747	MGSOTPSTTJUKIN-NEPJUHHUSA-N	306.366	1.148	50	20	DDGD	
CCC1=C(C(=O)NNC(=S)NCCSC)CCCO1	790837809	HABHCAMDLVTHIC-UHFFFAOYSA-N	303.453	1.319	50	20	DDGD	
O=C(NNC(=O)[C@@H]1Cc2ccc(F)cc21)c1ccccc1O	794894673	IXKUASDJTJYVSQ-CYBMUJFWSA-N	300.289	1.632	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H]2CCO[C@H](C3CC3)C2)n1	793050311	FMCLESSISJWVEG-JSGCOSHPSA-N	318.377	1.292	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC2Cc3ccccc3C2)n1	793051936	QIBKVYBOARQMJD-UHFFFAOYSA-N	310.357	1.501	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cccc2[nH]ncc12	792797648	IPEQPNJGZBFKLF-UHFFFAOYSA-N	324.340	1.575	50	20	DDGD	
CC(C)(C)n1cc(C=NNC(=O)c2ccc(O)c(O)c2)nn1	794557678	JUMXWHVZHDGACA-UHFFFAOYSA-N	303.322	1.208	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1ccc(C#N)s1	797816399	OADSVXSBYZGRQS-UHFFFAOYSA-N	301.393	1.365	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCc2cccn2C)cc1	1319256457	TWWXHSDTEPMEEG-UHFFFAOYSA-N	302.334	1.178	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc2c(c1)CCC(=O)N2C	1319733123	SBRHNXURTQDGPO-UHFFFAOYSA-N	320.418	1.113	50	20	DDGD	
Cc1ncnc(O)c1CCC(=O)NNc1cccc([N+](=O)[O-])c1	1324298705	OAWABHKZOFUNRP-UHFFFAOYSA-N	317.305	1.475	50	20	DDGD	
COCc1nocc1C(=O)NNc1ccc(CC(=O)OC)cc1	1329744047	CEZZFHUDNSLNFM-UHFFFAOYSA-N	319.317	1.293	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1c(F)ccnc1F	1261544756	CKQBZIQKMWGJMP-UHFFFAOYSA-N	318.243	1.562	50	20	DDGD	
C=C(C)CN(CC)C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1347962821	AUKQXNUNNKMCJM-GWCFXTLKSA-N	317.227	1.701	50	20	DDGD	
Cn1ccc(NNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C2CC2)n1	1348607843	KNRXVTAHCXGUHT-LLVKDONJSA-N	323.397	1.557	50	20	DDGD	
CNC(=O)c1cccc(C(=O)Oc2ccc([N+](=O)[O-])c(C)c2)n1	1343354242	HYLQFSHAHRZUFC-UHFFFAOYSA-N	315.285	1.877	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)c1n[nH]cc1Br	1521189773	TUYUIOJFUSWXIL-UHFFFAOYSA-N	316.546	1.978	50	20	DDGD	
CC(=O)c1csc(C(=O)NNc2ccc(C(=O)O)cn2)c1	1609630422	IGVBKJQCIUPFPU-UHFFFAOYSA-N	305.315	1.801	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2CCn3ccnc3C2)c(F)c1	1602384306	DPOUHMWJSASUFJ-VIFPVBQESA-N	318.308	1.426	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNc1ccc(CC(=O)O)cc1	1600768455	GVQWZLAZJWQKHD-UHFFFAOYSA-N	302.334	1.421	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12	1601046244	QQOAHXPBLUAMBD-HLFZDTRESA-N	312.325	1.525	50	20	DDGD	
Cc1c(NNC(=O)CCc2ccncn2)cccc1C(=O)O	1600052801	UBWYTBYYXABHSC-UHFFFAOYSA-N	300.318	1.559	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NN=Cc1cccc(-c2nn[nH]n2)c1	1606597908	LWJGWEGYAYFODR-UHFFFAOYSA-N	324.319	1.699	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C(C)(C)C)cc(-c2nn[nH]n2)c1	1609408388	RHVATDDFUTUQMW-UHFFFAOYSA-N	317.353	1.374	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(F)c(C(=O)O)c1C	1610008421	DOAHZOLREIXCTD-UHFFFAOYSA-N	312.301	1.530	50	20	DDGD	
COc1ccccc1C(C)=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549312658	BWJMOQKYWSZQCN-BBRMVZONSA-N	317.389	1.399	50	20	DDGD	
O=C(O)CCC(=O)NNc1ccc(Br)c(F)c1	1611416676	UJOXOIODIOKKTI-UHFFFAOYSA-N	305.103	1.896	50	20	DDGD	
CN(NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C1CC1	1578506793	YCZWWUFLQNRQSF-SECBINFHSA-N	301.312	1.489	50	20	DDGD	
C[C@H](N)c1ccc(C(=O)NNc2ncccc2[N+](=O)[O-])cc1	1576165783	USGVZHHMNOAOEJ-VIFPVBQESA-N	301.306	1.766	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)c1c[nH]c(-c2nn[nH]n2)c1	1582561991	FEZYVAPMPWRATN-UHFFFAOYSA-N	305.248	1.230	50	20	DDGD	
COc1cccnc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	1580094661	FEPQOZYOKDJHKG-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
Cc1ocnc1C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843365005	RHKYJUQUIQSZFO-SNVBAGLBSA-N	315.732	1.334	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)ccc1Cl	1581034514	NUDUDRZOPLONFI-UHFFFAOYSA-N	317.740	1.914	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)[C@]1(C(F)(F)F)CCNC1	1580739761	NAAPGWXEKCTXBF-JTQLQIEISA-N	308.691	1.720	50	20	DDGD	
O=C(C[C@@H]1CNc2ccccc21)NNC(=O)[C@@H]1CCCCO1	1580517289	KKOZXASGDZDAAJ-RISCZKNCSA-N	303.362	1.302	50	20	DDGD	
Cc1cccc(NNC(=O)c2cc(-c3nn[nH]n3)ccc2F)n1	1581243976	HJAARZSNXVMJIT-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)C1(C2CCNCC2)CC1	1580739898	SEEULUNUKBHATA-UHFFFAOYSA-N	304.350	1.818	50	20	DDGD	
Cc1cc[nH]c1C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843362677	FEPRMJZZGVPHLI-LLVKDONJSA-N	313.760	1.675	50	20	DDGD	
C/C=C/C(=O)N1CCCC12CN(C(=O)CO[Si](C)(C)C)C2	1845962829	HIDQIMGFRPMYNQ-FNORWQNLSA-N	310.470	1.617	50	20	DDGD	
CCOCc1nc(C)cc(NNC(=O)[C@@H](C(=O)O)C(C)(C)C)n1	1591986747	IKLWXMRLYNENCQ-LBPRGKRZSA-N	324.381	1.512	50	20	DDGD	
O=C(NNC(=O)c1ccc(C(=O)O)cc1)OCC(F)(F)F	1594783281	YIWRZZPFVQRGSR-UHFFFAOYSA-N	306.196	1.318	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](C(=O)NNc2ccc(C(=O)O)c(F)c2)C1	1598907522	REJBMJXMIYHNDP-OCAPTIKFSA-N	310.281	1.166	50	20	DDGD	
C[C@H](CC(=O)O)CC(=O)NNC(=O)C(C)(C)c1ccccc1	1592391775	PNRQIMSNBQWXSG-NSHDSACASA-N	306.362	1.613	50	20	DDGD	
C[C@@]1(CNC(=O)CCSCC(=O)O)C[C@@H]1Br	1594015681	OECIYYUVVAPXDJ-XVKPBYJWSA-N	310.213	1.484	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@H]1CO[C@@H](CCC(=O)O)C1	1594364787	FUWXIJURBAFYMJ-PWSUYJOCSA-N	310.325	1.847	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1n[nH]c2c1CCC2	1599378435	WBIXNQGISARIOQ-UHFFFAOYSA-N	316.317	1.362	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNc1cccc(C(=O)O)c1)C(C)C	1596510504	OTPPAFPAWDBVBE-LBPRGKRZSA-N	308.334	1.663	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNc1ncccc1C(=O)O	1594443384	WYPHWGLZTGBVAM-QMMMGPOBSA-N	317.349	1.757	50	20	DDGD	
CC(C)(CCC(=O)NNc1ccc(C(=O)O)cc1F)[N+](=O)[O-]	1590655760	ANRFWGOHYSFBKV-UHFFFAOYSA-N	313.285	1.803	50	20	DDGD	
O=C(O)[C@@]1(C(=O)NNc2ccc(Cl)cc2F)CCCO1	1594867606	OMUCWQSHXOUYQZ-LBPRGKRZSA-N	302.689	1.556	50	20	DDGD	
O=C(O)c1cc(Cl)sc1C=NNC(=O)N1CCOCC1	1776039881	QYLSLXWOMFMRHE-UHFFFAOYSA-N	317.754	1.475	50	20	DDGD	
CC(C)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2	1795477477	CBWKCLXDOOOKLX-RNJOBUHISA-N	316.829	1.270	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCC[C@@H](O)COC)cc1	160949317	CZIBPKQCAKGIAJ-BAAYTWLHSA-N	318.373	1.506	50	20	DDGD	
CSC[C@H](C)C(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	151099395	CDBDALQYUMHOHU-QMMMGPOBSA-N	324.431	1.898	50	20	DDGD	
CCCc1[nH]nc(C(=O)NNc2cccc(C#N)c2)c1[N+](=O)[O-]	152669997	ZUVZDTRIXBRVKX-UHFFFAOYSA-N	314.305	1.899	50	20	DDGD	
CNC(=O)NNC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1	153345096	OIJUSBJDYZJWEB-UHFFFAOYSA-N	312.329	1.257	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccc(F)c(Cl)c1	157119438	BCCKCGPFADDYRF-UHFFFAOYSA-N	313.638	1.985	50	20	DDGD	
CN(C)c1cccc(CNC(=O)NNC(=O)OC(C)(C)C)c1	155304933	KMQJUTWNPNVART-UHFFFAOYSA-N	308.382	1.992	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNC(=O)Cc1ccc(F)cc1	154806705	PHNZCZXVXFVQGC-UHFFFAOYSA-N	324.352	1.495	50	20	DDGD	
Cc1ccc(C(C)(C)CNC(=O)NNC(=O)[C@@H]2CCCO2)cc1	103316369	JQEIFBUHVCDZSJ-AWEZNQCLSA-N	319.405	1.782	50	20	DDGD	
Cc1ncccc1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	108151799	QZTCXOILTLKTNH-NSHDSACASA-N	317.320	1.758	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1	178971313	AGWBDYVXIAFNAM-HMVKAIMHSA-N	309.410	1.436	50	20	DDGD	
Cc1cc(NNC(=O)CNC(=O)CC2CCCCC2)ncn1	172283899	BQWODMYIMZWRMW-UHFFFAOYSA-N	305.382	1.315	50	20	DDGD	
CN(C)CC(=O)NNC(=O)[C@H](OC1CCCC1)c1ccccc1	113426081	NUNPMENKVPFPJN-MRXNPFEDSA-N	319.405	1.396	50	20	DDGD	
Cc1ccccc1CCC(=O)NNC(=O)NCC(F)(F)F	103547655	LRZIDZPBLAFNBT-UHFFFAOYSA-N	303.284	1.820	50	20	DDGD	
O=C(C[C@H]1CCCO1)NNC(=O)c1cccc(OC(F)F)c1	171207667	RZIBSCZNLGMMIR-SNVBAGLBSA-N	314.288	1.618	50	20	DDGD	
O=C(CCCCCc1cccs1)NNC(=O)C(=O)NC1CC1	67133924	PTIHMFVFSXLRJY-UHFFFAOYSA-N	323.418	1.277	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC2CC2)cc1OC(F)F	64427609	IYKUDBYUFWIWEW-UHFFFAOYSA-N	315.276	1.403	50	20	DDGD	
CCNC(=O)NNC(=O)CCNc1cc(Cl)ccc1OC	65898104	ZYNICLIRAPHMLT-UHFFFAOYSA-N	314.773	1.501	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)CNc2ccc(C)cc2C)cn1	114536987	RQYLBIPQRNKPLT-UHFFFAOYSA-N	315.377	1.393	50	20	DDGD	
C[C@]1(COC(=O)c2cc3n(n2)CCO3)C[C@@H]1Br	1345266045	NXHQKOQEUKVFNJ-GZMMTYOYSA-N	301.140	1.606	50	20	DDGD	
O=C(C[C@@H]1CCS(=O)(=O)C1)NNc1ccc(Cl)c(F)c1	175437760	MJYYSLLCSAXVNO-QMMMGPOBSA-N	320.773	1.747	50	20	DDGD	
O=S(=O)(c1ccc(CCCCl)cc1)N1CCOCC1	20190979	WGCJBLWNQDNLIF-UHFFFAOYSA-N	303.811	1.879	50	20	DDGD	
COc1ccccc1NC(=O)C(=O)NNc1cccc(C#N)c1	119425125	QYDRIRGQTLDPPT-UHFFFAOYSA-N	310.313	1.649	50	20	DDGD	
COc1ccc(CC(=O)NNc2nc(C)cc(C)n2)cc1F	21127114	XHXPMPMQFLQOLI-UHFFFAOYSA-N	304.325	1.927	50	20	DDGD	
Cc1nc2ccccc2cc1C(=O)NNC(=O)Cc1ccncc1	175805147	PETBJPJTTFQDKM-UHFFFAOYSA-N	320.352	1.942	50	20	DDGD	
CCOc1ccc(C(=O)NNc2nncc(N)c2Cl)cn1	1340556023	RGNFPVCPUIXZPP-UHFFFAOYSA-N	308.729	1.263	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1csc(-c2ccco2)n1	1261497640	GNWCWTXVOPMPDY-BDAKNGLRSA-N	321.358	1.589	50	20	DDGD	
N#Cc1c[nH]c(C(=O)NNC(=O)c2ccc(Cl)cc2F)c1	176495806	ODVLYHJWCWEEDV-UHFFFAOYSA-N	306.684	1.754	50	20	DDGD	
O=C(/C=C/c1cncc(F)c1)NNC(=O)Cc1ccccc1F	66784447	GCACNAKLSMWMPQ-AATRIKPKSA-N	317.295	1.763	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cccnc2Cl)cc1	127676851	FDHPGLDMVVALBN-UHFFFAOYSA-N	318.764	1.917	50	20	DDGD	
Cc1ccnc(NNC(=O)c2c(C)nn(C)c2-n2cccn2)c1	188395259	VLKMUVFMQNQOGS-UHFFFAOYSA-N	311.349	1.375	50	20	DDGD	
COc1cccc(OC)c1CC(=O)NNc1ncc(F)cn1	122501287	ATJGPWAVYBUJPK-UHFFFAOYSA-N	306.297	1.319	50	20	DDGD	
Cc1cnc(NC(=O)C(=O)NNc2c(F)cccc2F)s1	124206831	ZRBPZMJFINROTL-UHFFFAOYSA-N	312.301	1.812	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ccccn2)c(C)c1	181416518	KXWPHJYVSIPJLK-UHFFFAOYSA-N	300.318	1.480	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1cc(OC)c(O)c(OC)c1	211413462	CGDMYVGFGAOBDY-WDZFZDKYSA-N	307.302	1.506	50	20	DDGD	
COC1CCC(CC(=O)NNC(=S)NCC2CCC2)CC1	121420030	QLAQRCMHWDXPRE-UHFFFAOYSA-N	313.467	1.877	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(F)c2C)o1	129696824	NTAZQLNNLFQNRO-UHFFFAOYSA-N	319.292	1.435	50	20	DDGD	
N#Cc1ccc(CCC(=O)NNC(=O)CNc2ccccc2)cc1	73302587	SKLCRQVTEQJQFG-UHFFFAOYSA-N	322.368	1.750	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)c1csc2c1CC[C@@H](C)C2	70920085	IXOUTYYAXDAGKR-SECBINFHSA-N	323.418	1.159	50	20	DDGD	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNC(=O)CO	182764681	XBFSREKEPCRLHK-UHFFFAOYSA-N	318.251	1.024	50	20	DDGD	
CC[C@@H](O)CCNS(=O)(=O)c1ccc(CCCl)cc1	157894307	JKHYZXSMOWOMLF-GFCCVEGCSA-N	305.827	1.907	50	20	DDGD	
CCc1cc(C(=O)NNc2nnc(-c3ccccn3)s2)[nH]n1	188214692	DFOABHIJXZEVEM-UHFFFAOYSA-N	315.362	1.643	50	20	DDGD	
Cc1nccc(C(=O)NNc2nnc(-c3ccccn3)s2)n1	188185421	HTVZHZFWGJWFQP-UHFFFAOYSA-N	313.346	1.455	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2noc3c2CCCCC3)cc1	131163349	ADGDJEKJCAXUBD-UHFFFAOYSA-N	324.340	1.890	50	20	DDGD	
COc1ccc(CCC(=O)NNc2nccnc2OC)cc1F	132194429	IPABWDPOHLBEMD-UHFFFAOYSA-N	320.324	1.709	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H]2CCCc3c(O)cccc32)n1	190105510	QQIZLUPLKNIZFE-GFCCVEGCSA-N	314.345	1.754	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1cc(F)ccc1Br	137404370	CFELCLOTQGXXIE-UHFFFAOYSA-N	318.146	1.481	50	20	DDGD	
Cc1ccnc(NNC(=O)CNC(=O)c2cc(F)cc(F)c2)c1	88423631	UAVZYFFQIPHBPN-UHFFFAOYSA-N	320.299	1.541	50	20	DDGD	
CCCc1cnc(NC(=O)C(=O)NNC(=O)C(C)(C)C)s1	190685965	NKDDFVRDJPOJGE-UHFFFAOYSA-N	312.395	1.228	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2nc3ccccn3n2)cc1	191901887	DICAHADJUWSXFB-UHFFFAOYSA-N	310.317	1.120	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H]1CCCCN1C(=O)c1cccs1	97137128	VBDLYKWMJPNMGB-LLVKDONJSA-N	323.418	1.546	50	20	DDGD	
Cc1noc(C)c1CSCC(=O)NNC(=O)c1cccn1C	96950505	BFIZFPMCQJAWTE-UHFFFAOYSA-N	322.390	1.324	50	20	DDGD	
Cc1ccccc1OCCCC(=O)NNC(=O)c1ccc[nH]1	97075650	FYWVBEDZFVQRHD-UHFFFAOYSA-N	301.346	1.943	50	20	DDGD	
CNC(=O)NNC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1	266938051	PDNSXOOAUKZUOI-QMMMGPOBSA-N	307.379	1.317	50	20	DDGD	
CC(C)N1C[C@H](NC(=O)NNc2cccc([N+](=O)[O-])c2)CC1=O	267774883	XSEHYQDHHYZQPW-LLVKDONJSA-N	321.337	1.230	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)COc1ccccc1O)N(CC)CC	266870487	XJZOFTUARYVEIE-GFCCVEGCSA-N	323.393	1.039	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@H]1COCCN1C1CCCC1	369398278	MRUYEPDHFJFCIO-GFCCVEGCSA-N	313.398	1.186	50	20	DDGD	
COCCN1CC[C@@H](NC(=O)NNc2cc(Cl)ccn2)C1	272456026	RFYYXKGIURBRPO-LLVKDONJSA-N	313.789	1.082	50	20	DDGD	
Cc1ccc(NNC(=O)NCC2([C@H](C)CCO)CCC2)nn1	271841867	BBEYQFNNLVHSLL-LLVKDONJSA-N	307.398	1.600	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCCOc1ccccc1OCC	271352298	LMRVQNPQRSYMMJ-UHFFFAOYSA-N	323.393	1.937	50	20	DDGD	
CCc1nn(C)c(Cl)c1C(=O)NNC(=O)c1cccc(C)n1	279774314	HRLRUSUZBBEEBD-UHFFFAOYSA-N	321.768	1.414	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2CCCN2C2CCCC2)n1	272566951	VGCCLUMYWGOMCY-ZDUSSCGKSA-N	304.394	1.940	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1	274384367	HEIWPUGLGSUVCC-JTQLQIEISA-N	320.176	1.719	50	20	DDGD	
CN(Cc1nccn1C(F)F)S(=O)(=O)CBr	271420785	RFHZHINFOJJRFL-UHFFFAOYSA-N	318.143	1.392	50	20	DDGD	
CCCSCC(=O)NNC(=O)CSc1ccccc1O	270733535	VFWUKWKPFWKONM-UHFFFAOYSA-N	314.432	1.775	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N2CCN(C)CC2)cc(C)c1F	278764341	XQDDBWZKXUIMGR-UHFFFAOYSA-N	308.357	1.044	50	20	DDGD	
COC(=O)NNC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O	276921103	RXZIULBQNLBEBG-CYBMUJFWSA-N	303.318	1.338	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@H]2C[C@@]23CCc2ccccc23)n1	377877187	AGZGFTCGEPVYPL-RDTXWAMCSA-N	323.400	1.890	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cnc(OCC2CC2)c(Cl)c1	273098798	VEXKODNDWUHGMV-UHFFFAOYSA-N	309.753	1.695	50	20	DDGD	
C[C@]12CCC(=O)N1[C@H](C(=O)NNc1ncccc1F)CS2	286078922	TXLUEZGUSNWILD-ZANVPECISA-N	310.354	1.118	50	20	DDGD	
Cn1ncc2c1C[C@@H](C(=O)NNC(=O)NC1CCCCC1)CC2	281460900	FSDIHLPMMHAPQS-NSHDSACASA-N	319.409	1.188	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	377738763	FXHXXGSSUNXFHN-OFQRWUPVSA-N	302.374	1.582	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)N[C@H](C)C(F)(F)F)c1O	288973399	YQNWCHDKBDDRAQ-ZCFIWIBFSA-N	321.255	1.296	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNC(=O)Nc2ccccc2)C1	282857739	SRWMVJAWNLCPOA-LLVKDONJSA-N	304.350	1.098	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)c1ccc(Cl)cc1F)C1CC1	287993029	RSYUFIPPALDWBE-CYBMUJFWSA-N	300.717	1.401	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)CCc2ccc(OC)cc2)CC1	281558901	CTTCOQNCSBPIFF-UHFFFAOYSA-N	320.389	1.592	50	20	DDGD	
CO[C@@H](C(=O)NNc1cccc([N+](=O)[O-])c1C)c1cnn(C)c1	282933988	YMAFXTMEZPLICL-CYBMUJFWSA-N	319.321	1.468	50	20	DDGD	
CC/C=C/CNC(=O)NNC(=O)[C@H]1COc2ccccc2O1	298466451	OODMGCVZTOANFS-VUUYWXRKSA-N	305.334	1.123	50	20	DDGD	
O=C(CCCn1cncn1)NNC(=O)Nc1cc(F)cc(F)c1	802001675	PYDZAGIDNJZPMM-UHFFFAOYSA-N	324.291	1.189	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCOc1ccc2c(c1)OCO2	298684483	ACHVQFFUTVPMSO-UHFFFAOYSA-N	323.349	1.171	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@@H]1OC[C@@H]2COCC[C@H]21	290378938	BOEBOWNIICVSLQ-IQJOONFLSA-N	320.374	1.186	50	20	DDGD	
C=Cc1ccc(CCNC(=O)NNC(=O)[C@@H]2CCCO2)cc1	292058676	OKLPHXWWSOYCOD-AWEZNQCLSA-N	303.362	1.382	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1c[nH]nc1-c1ccccc1	802026300	DUNAIOWBEDHYQO-UHFFFAOYSA-N	322.328	1.360	50	20	DDGD	
O=C(NCc1ccc2ncccc2c1)NNC(=O)[C@@H]1CCCO1	292771860	VTKSSCFKAOWWSW-AWEZNQCLSA-N	314.345	1.244	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)[C@H]2COc3ccccc3O2)nn1	807945051	AQKCOLBBQWFAGM-CQSZACIVSA-N	315.333	1.149	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(-n2ccnc2)nn1)c1ccsc1	804951481	BVPUJSKLQDCYRG-JTQLQIEISA-N	314.374	1.971	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H](F)C(F)(F)F	809984519	NERFSRYMDVXLRY-VIFPVBQESA-N	318.230	1.304	50	20	DDGD	
Cc1nn(-c2ccccn2)c(C)c1C=NNC(=O)NC(C)C	802710052	MYZQQSSGYXIMKT-UHFFFAOYSA-N	300.366	1.926	50	20	DDGD	
CN(Cc1nncn1C)C(=O)[C@@H](Br)C(C)(C)C	291612577	BBOCKRZTOYYNHH-SECBINFHSA-N	303.204	1.583	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNC(=O)N=c2cc[nH]cc2)s1	802031534	GYFSZYVLQDEYRC-UHFFFAOYSA-N	319.390	1.724	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)Nc1ccc2c(c1)OCO2)C(C)C	802095998	UMHKJZKXSZSUKJ-GFCCVEGCSA-N	309.322	1.239	50	20	DDGD	
COCC[C@@H]1COCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	292038473	AFUINHREQYNWKO-BAAYTWLHSA-N	316.357	1.563	50	20	DDGD	
Cc1cc2ncc(C(=O)NNc3cccc(F)n3)c(C)n2n1	804770537	HFXAYTZATYSEMO-UHFFFAOYSA-N	300.297	1.637	50	20	DDGD	
Cc1nsc(NC2CC2)c1C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	293830026	GBGPFJATDJSKLZ-XVKPBYJWSA-N	324.406	1.354	50	20	DDGD	
CC/C=C/CNC(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C	298339311	GIILENNZBPMUJV-JARNTUPDSA-N	314.386	1.196	50	20	DDGD	
Cc1ccc(OCC(=O)NNc2ccc(-n3ccnc3)nn2)cc1	804951297	QRXBABBZKRSZTE-UHFFFAOYSA-N	324.344	1.493	50	20	DDGD	
Cc1cc(OCC(=O)NNc2ccc([N+](=O)[O-])cc2C)no1	805384940	UJYOQYNTEGSEQM-UHFFFAOYSA-N	306.278	1.722	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H]1CCCN(CC(F)(F)F)C1	819104610	QGVOBSGCIJADKZ-JTQLQIEISA-N	307.316	1.208	50	20	DDGD	
CC1CCN(CC(=O)NNc2nc3ccccc3n2C)CC1	816578913	USTQIIVTJPHSDO-UHFFFAOYSA-N	301.394	1.748	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNc2ncncc2Cl)c1C	816341019	ZUSCWHXZEGOCOF-UHFFFAOYSA-N	308.773	1.649	50	20	DDGD	
C[C@](CC(=O)NNC(=O)c1ccc[nH]1)(C(=O)O)c1ccccc1	814324400	HWISWEZXYUBQBE-MRXNPFEDSA-N	315.329	1.208	50	20	DDGD	
CC[C@@H]1CN(C(=O)NNC(=O)c2ccccc2)C[C@@H](CC)O1	817152955	PLKXENIPAJLGAA-ZIAGYGMSSA-N	305.378	1.930	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=C2CCOC2(C)C)C[C@@H](C)O1	814766397	IUEJAMMSQVFTCI-RWMBFGLXSA-N	311.426	1.403	50	20	DDGD	
O=C(CSc1ccc(Cl)cc1)NN=C1COCCOC1	814731527	CPUMUCGZMKRMKG-UHFFFAOYSA-N	314.794	1.951	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1cc(N)ccc1F	814762484	BNWDHACIFWHFKJ-LLVKDONJSA-N	322.384	1.216	50	20	DDGD	
CCc1nocc1C=NNC(=O)CNc1ccccc1OC	814713612	RZWMKIFHBHQMAN-UHFFFAOYSA-N	302.334	1.808	50	20	DDGD	
N#Cc1cccc(C(=O)NNc2nc(-c3cccnc3)no2)n1	810340168	ZZMXNJDOZHMHPO-UHFFFAOYSA-N	307.273	1.155	50	20	DDGD	
O=C(NNc1cc(Cl)nc(Cl)c1)C1(CO)CCOCC1	819746709	FWNBGFQQBNGIBX-UHFFFAOYSA-N	320.176	1.621	50	20	DDGD	
CC(CCc1ccc(OCC(=O)O)cc1)=NNC(=O)N(C)C	814820769	BNJJAPXLPLQXLR-UHFFFAOYSA-N	307.350	1.730	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)CNc2ccc(C)cc2C)cn1	728962192	IPULEGAVRSOMOY-UHFFFAOYSA-N	322.368	1.553	50	20	DDGD	
Cc1ncccc1C=NNC(=O)c1cccc(S(C)(=O)=O)c1	728781258	PHMODEXWVJHNCI-UHFFFAOYSA-N	317.370	1.557	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(OC[C@H]2CCCO2)cc1	823988056	OYKWNYDPNDTLNV-SWLSCSKDSA-N	308.378	1.202	50	20	DDGD	
CCOc1ccc(C(=O)CCC(=O)NN(C)[C@@H](C)CO)cc1	823987086	FBZYSJONPYWNKO-LBPRGKRZSA-N	308.378	1.392	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(OCC(F)(F)F)cc1	823847207	RLIMSKYPMJAITJ-UHFFFAOYSA-N	306.284	1.587	50	20	DDGD	
CC(C)SCC(=O)NNC(=O)CCNC(=O)OC(C)(C)C	495352059	JIDYXJZKEMYKEB-UHFFFAOYSA-N	319.427	1.190	50	20	DDGD	
CCN(CCO)NC(=O)Cc1ccc(F)c(Br)c1	823852226	ABNXVKIWWAMIMO-UHFFFAOYSA-N	319.174	1.476	50	20	DDGD	
C[C@@H](CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1CC1	824384483	COROXMUWVXXFNY-ZETCQYMHSA-N	321.772	1.794	50	20	DDGD	
CN(NC(=O)c1ccc(-c2nc[nH]n2)cc1)C(=O)OC(C)(C)C	495871000	FFHZRPAMIZBDAY-UHFFFAOYSA-N	317.349	1.983	50	20	DDGD	
COc1ccnc(NNC(=O)c2sccc2OC(F)F)n1	729313167	OBTBVCIFFQIBCM-UHFFFAOYSA-N	316.289	1.905	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=S)NCC1CCC1	727280813	LFNQEBWMJBQJRN-UHFFFAOYSA-N	307.419	1.533	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CCCC(F)(F)C1	826739158	IMNACMUIAGJMKH-AEJSXWLSSA-N	305.325	1.320	50	20	DDGD	
C#CCCCC(=O)NN=Cc1ccc(N2CCOCC2)c(F)c1	901323931	BDVMSAUAGUWQSK-UHFFFAOYSA-N	317.364	1.916	50	20	DDGD	
COC(=O)N(C)NC(=O)c1c(O)cnc2ccc(Cl)cc12	496343324	MAFOZPAHIKDCHP-UHFFFAOYSA-N	309.709	1.937	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC(N2CCOC[C@H]2C)CC1	820124647	DHBGMROHHYRRDC-NXXVSJRMSA-N	307.394	1.142	50	20	DDGD	
O=C(C[C@]12CCCC[C@@H]1C2(F)F)Nc1cccc(B(O)O)c1	584912395	RMNWBIKSWKIQCX-GXTWGEPZSA-N	309.121	1.521	50	20	DDGD	
COC(=O)N(C)CC(=O)NNc1ccc(C(F)(F)F)cc1	493941327	JUJUMEZJXPQLMY-UHFFFAOYSA-N	305.256	1.847	50	20	DDGD	
CCn1nncc1/C=C(\C#N)C(=O)NCc1ccc(OC)cc1	491132991	OFRLWOLQPNKPIW-MDWZMJQESA-N	311.345	1.530	50	20	DDGD	
O=C(COc1ccc(-c2ccccc2)cc1Cl)NCB(O)O	585057909	NRZBFSLBMJTFSW-UHFFFAOYSA-N	319.553	1.514	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H](C)N2CCCC[C@H]2C)nn1	730025746	FVNROFTYAUWYMJ-CHWSQXEVSA-N	306.414	1.674	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)COc1c(Cl)cccc1Cl	823988768	WMXKZECZPYPNQV-MRVPVSSYSA-N	307.177	1.716	50	20	DDGD	
CC[C@@H](C(=O)NN=Cc1cc(C(=O)O)nn1C)c1ccccc1	901189960	VQBYSDBKABDFBR-CYBMUJFWSA-N	314.345	1.762	50	20	DDGD	
C[C@H]1C(=NNC(=O)c2ncon2)CCCN1Cc1ccccc1	901285859	LPRIEPDMYRMROH-LBPRGKRZSA-N	313.361	1.840	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NC[C@H]1CC[C@@H](C)O1	838743866	HIKAOACKCNRQSX-DGCLKSJQSA-N	321.377	1.136	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2C[C@@H](CO)Cc3ccccc32)cn1	833142998	ZKSXRCGIQVFREN-FCDDLGMRSA-N	322.368	1.525	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1cccc(OCC)c1	901964851	RPDIBWNSGOPGST-UHFFFAOYSA-N	310.375	1.198	50	20	DDGD	
Cc1ncc(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)n1C	907817841	VBKTUANHJWJPAV-UHFFFAOYSA-N	316.365	1.579	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1ccc(Cl)nn1)C(F)(F)F	733354906	GZDBOZAHBCRTBB-YFKPBYRVSA-N	313.667	1.333	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NC[C@@H]2CCCO2)ccc1F	837314574	VBBKAKBLQXFUPW-JTQLQIEISA-N	311.313	1.417	50	20	DDGD	
CCC(CC)(CC)NCC(=O)NNC(=O)c1ccc(C#N)cc1	839519036	KSKXIRUGYKUEJN-UHFFFAOYSA-N	316.405	1.878	50	20	DDGD	
O=C(NNc1ncccc1F)N[C@H]1C[C@@H]2CCCCN2C1=O	836693053	ZKTARSZLSPWSPE-ONGXEEELSA-N	307.329	1.000	50	20	DDGD	
O=C(NC[C@H]1CCCC(F)(F)C1)c1cc(B(O)O)ccc1F	584986789	NAUPVIDXMLOFFZ-VIFPVBQESA-N	315.100	1.061	50	20	DDGD	
C[C@@H](CO)N(C[C@H](C)c1ccccc1)S(=O)(=O)CCl	831544237	VSOPTVZXZIVXQE-RYUDHWBXSA-N	305.827	1.999	50	20	DDGD	
O=C(NNc1ccc(Br)nc1)[C@H]1CCCOC1	732836559	KFVNVORQSACUNF-QMMMGPOBSA-N	300.156	1.714	50	20	DDGD	
Cc1nc(-c2ccc(S(=O)(=O)NNC(=O)O)s2)cs1	832991781	YBBJRAABXSLIGR-UHFFFAOYSA-N	319.389	1.641	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C#CC(C)(C)C)c(OC)c1	837399178	DGLPHRAZDYNICJ-UHFFFAOYSA-N	304.346	1.514	50	20	DDGD	
CC(C)CO[C@H](C)C(=O)NNc1ccccc1S(C)(=O)=O	732303094	DKNAZLLYBUBFEA-LLVKDONJSA-N	314.407	1.594	50	20	DDGD	
O=C(NNC(=O)c1cccc(-n2cccn2)c1)NC1CCCC1	735038728	DSOXAAIFJCSWFF-UHFFFAOYSA-N	313.361	1.759	50	20	DDGD	
CC(F)(F)CNC(=O)NNC(=O)Cn1ccc2ccccc21	836286790	VGLCRNLIFDXDLW-UHFFFAOYSA-N	310.304	1.627	50	20	DDGD	
O=C(NCc1cocn1)NNC(=O)c1cccc2ncccc12	730831151	XNOJQYYEEIZCGT-UHFFFAOYSA-N	311.301	1.367	50	20	DDGD	
COC(=O)[C@H](NS(=O)(=O)CCl)c1cc(C)cc(C)c1	831126278	XRHYEJLBVJGNGR-LLVKDONJSA-N	305.783	1.633	50	20	DDGD	
CCOCC(=O)NN=Cc1ccc(OC[C@H]2CCCO2)cc1	731154269	CIZWPSZUOAMSDA-OAHLLOKOSA-N	306.362	1.731	50	20	DDGD	
O=C(O)COc1ccc(C=NNC(=O)CC(F)(F)F)cc1	917551152	OLFUDXUANGLGQF-UHFFFAOYSA-N	304.224	1.553	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)C[C@@H]2CCOC2)c1C	739679728	AAJATFWRGMDZAQ-KGLIPLIRSA-N	320.389	1.645	50	20	DDGD	
Cc1cc(C(N)=O)ccc1NC(=O)NNC(=O)c1ccccc1	916633749	MQGULWJYACLVLT-UHFFFAOYSA-N	312.329	1.560	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1ccc(N)cc1	916543810	VWOHXWVNQPSUSI-GFCCVEGCSA-N	304.394	1.077	50	20	DDGD	
CCN(CC)CCC(=O)NN=C(C)c1ccc(O)c([N+](=O)[O-])c1	749612593	ONVMWLDNLNMENI-UHFFFAOYSA-N	322.365	1.873	50	20	DDGD	
COC(C)(C)CNC(=O)NN=c1sc2ccccc2n1C	743672495	BKQDBSJQLWKPFL-UHFFFAOYSA-N	308.407	1.780	50	20	DDGD	
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NNC(=O)C1CCCC1	919915405	UFUPTAKKPJNLCN-OLZOCXBDSA-N	310.442	1.627	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cccc(Nc2ncccn2)c1	910172282	ALBVKRJAVQBVMN-NSHDSACASA-N	301.350	1.178	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1cnnn1-c1ccccc1	842561676	SANUXPVYOXHAPJ-TZMCWYRMSA-N	313.361	1.533	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCC[C@H]1CCCN1	842002606	GLBCMQGINDHZIR-GFCCVEGCSA-N	320.393	1.171	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)c2ccccc21	843656166	OXQLTAIBZZCYTK-COPLHBTASA-N	316.357	1.319	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1c(Cl)cncc1Cl	843970857	MEIQUHBPUBGIHA-NKWVEPMBSA-N	318.160	1.574	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@@H](C)CN2CCCCC2)c(O)c1	914693971	VVMARAZKGPENMT-ZDUSSCGKSA-N	319.405	1.973	50	20	DDGD	
O=C(NNc1cccc(Br)n1)N[C@H]1CCCNC1	841942295	ZXEGFXDJQXDZFS-QMMMGPOBSA-N	314.187	1.222	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc(OC)c(C#N)c1	741764056	QYISSWTYQXWMSV-UHFFFAOYSA-N	316.361	1.322	50	20	DDGD	
CC[C@@H](C(=O)Nc1cccc(NC(=O)NN(C)C)c1)[C@H](C)O	844135915	ALECLKIRRILAHJ-GXFFZTMASA-N	308.382	1.630	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC12CCCC2)[C@H]1COc2ccccc2O1	747296003	VERSMOYNAHCZDG-SMDDNHRTSA-N	316.357	1.554	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)CCc2ccccc2)[nH]n1	842525845	CZRHPCOIYWABOW-UHFFFAOYSA-N	314.345	1.669	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Cc1ccc2c(c1)CCCO2	843793404	SQFRSUWOAWVBIS-UHFFFAOYSA-N	314.345	1.047	50	20	DDGD	
C[C@H](CN(C)CC(=O)NNC(=O)C(C)(C)C)c1ccccc1	744395936	ADFHWAIMIQARMF-CYBMUJFWSA-N	305.422	1.915	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1ccc2c(c1)OCCO2	842553266	GYMBIKWXVHAPNG-WCQYABFASA-N	304.346	1.723	50	20	DDGD	
COc1cc(NC(=O)C(=O)NCCSSC)ccc1N	841124950	AOISCHLEIUBRLY-UHFFFAOYSA-N	315.420	1.343	50	20	DDGD	
CSC(C)(C)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	849988166	LTBQJSFKOBJUFI-SECBINFHSA-N	304.412	1.253	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NC[C@H]2CCCNC2)ccc1F	841923618	MAXZTSBPFMPHQG-JTQLQIEISA-N	324.356	1.238	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C2CCN(C)[C@H](C)C2)c1	741458614	WGJZXGGZZIGFQN-LLVKDONJSA-N	305.378	1.904	50	20	DDGD	
CC[C@@](C)(O)C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	929291954	XWTAGBUKAPRHSZ-BLLLJJGKSA-N	308.378	1.379	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cnccc1C(F)(F)F	847394295	XEEBSXFCHOGULE-UHFFFAOYSA-N	320.271	1.081	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@H]1CCCN(CC(F)(F)F)C1	920858942	WWTCDFKPLUIMDD-JTQLQIEISA-N	322.331	1.001	50	20	DDGD	
Cc1ccn(-c2ccc(C(=O)NNC(=O)NC(C)C)cc2)n1	745139433	JRDQBTXBRKALPJ-UHFFFAOYSA-N	301.350	1.533	50	20	DDGD	
C#CCCCNC(=O)NNC(=O)c1ccc(OCC)c(OC)c1	743690494	CSAMPDORVUPDAB-UHFFFAOYSA-N	319.361	1.451	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)C=C2CCCC2)c1	744833886	CMDUUAIJUTXYFS-UHFFFAOYSA-N	316.357	1.800	50	20	DDGD	
CN(CC(=O)NC[C@@H]1CCCO1)NC(=O)OCc1ccccc1	859389337	HCAZCYFSJFHTPN-AWEZNQCLSA-N	321.377	1.055	50	20	DDGD	
O=C(NNC(=O)[C@H]1CSCCS1)NC1CCCCC1	750983514	LZIKSZCWZMIWSL-SNVBAGLBSA-N	303.453	1.498	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H](CC(=O)NN=c1cc[nH]cc1)C1CC1	752772573	RGONTJVQJFAPIR-CYBMUJFWSA-N	320.393	1.640	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N2CCN(C)CC2)c(C(C)C)n1	854382157	ZFBDLRVPZIVAGK-UHFFFAOYSA-N	319.409	1.115	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cc3ccccc3o2)n1	752415763	GHBBCPVMSCZKKO-UHFFFAOYSA-N	311.297	1.911	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2	854286296	PFAZTKYVQRIHQW-FRRDWIJNSA-N	311.451	1.463	50	20	DDGD	
CC(=O)NC[C@H]1CCCCN1S(=O)(=O)CCCCCl	859431286	UFLMGTPITRJMCN-GFCCVEGCSA-N	310.847	1.326	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)N[C@@H](C)C2CCC2)cc1	756734520	RTOCXSNXIXSTIM-NSHDSACASA-N	321.377	1.593	50	20	DDGD	
Cn1ccc(COC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1=O	754539680	HXIOSQXTGVOFKI-RIYZIHGNSA-N	310.309	1.741	50	20	DDGD	
CC(=O)NNC(=O)c1nc(NCc2ccco2)ncc1Cl	920430430	ODNLGBUEGRVBCX-UHFFFAOYSA-N	309.713	1.116	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H]1COc2ccc(Cl)cc2C1	854928323	SVAAARFWGHDGOO-SECBINFHSA-N	313.810	1.358	50	20	DDGD	
C[C@@H]1COCCCN1C(=O)NC[C@]1(C)C[C@@H]1Br	856902912	LFVNGQMKMQHHNL-SCVCMEIPSA-N	305.216	1.980	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	755049928	SGXVBZNSANETKI-BXUZGUMPSA-N	322.405	1.891	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)c1ccc2nc[nH]c2n1	758111405	ZVWYBZVGBDXHHT-UHFFFAOYSA-N	304.313	1.685	50	20	DDGD	
O=C(NNC(=O)C1CC(O)(c2cccc(Cl)c2)C1)NC1CC1	858778133	BBHBYUZWRUGGBU-UHFFFAOYSA-N	323.780	1.430	50	20	DDGD	
CCN1CCN(C(=O)NC[C@]2(C)C[C@H]2Br)CC1	856948687	NUPGIOYXPCTUCW-PWSUYJOCSA-N	304.232	1.507	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1nc2cnccc2s1	857486854	QCTIOAAZRBUKGE-UHFFFAOYSA-N	305.750	1.919	50	20	DDGD	
CCN1CCC[C@@H]1CNC(=O)NNC(=O)c1cc(C)cs1	858121001	RIIANIZPRVXNCO-LLVKDONJSA-N	310.423	1.485	50	20	DDGD	
CCn1ccc(NC(=O)C(=O)NNc2c(C)cc(C)cc2C)n1	850422232	JTMJLQKVSQOPAO-UHFFFAOYSA-N	315.377	1.910	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=C[C@H]1CCCC(C)(C)C1	752735191	UNLPQSZOJUEBBS-QWRGUYRKSA-N	303.428	1.243	50	20	DDGD	
CS[C@@H]1CC[C@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	852152307	NNLNZFQBNGIBHW-DTWKUNHWSA-N	312.370	1.449	50	20	DDGD	
Cc1ccnn1CC(=O)NNC(=O)C(C)(C)c1ccccc1	859298514	PVTKFCGAZIYSFA-UHFFFAOYSA-N	300.362	1.317	50	20	DDGD	
Cn1nc(C(=O)NNc2ncncc2Cl)c2c1CCCC2	857491505	UDAZCYCBBVVPKH-UHFFFAOYSA-N	306.757	1.499	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2cc3ccccc3cc2O)CCOC1	757720651	WPSXLUUGRSJFJY-QGZVFWFLSA-N	314.341	1.733	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@@H]1Br	856892147	CETWZQMKNKWYPS-ZXUATJPGSA-N	303.200	1.779	50	20	DDGD	
Cc1cccc(C[C@H](CO)NC(=O)NNC(=O)C2CCCC2)c1	753334285	FXRWBNZUPQZNDK-OAHLLOKOSA-N	319.405	1.419	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCN(C)c3ccccc32)n[nH]1	750795195	NSZPUCLSOQZMJH-LBPRGKRZSA-N	313.361	1.103	50	20	DDGD	
C[C@@H]1CCC[C@@H]1NC(=O)NNc1ccccc1S(C)(=O)=O	765755011	BEZOLRNNBRYCBX-MNOVXSKESA-N	311.407	1.905	50	20	DDGD	
Cc1nn2cccnc2c1C(=O)NNc1nc2ccccc2[nH]1	768494233	AXZQXVZZSIDGEZ-UHFFFAOYSA-N	307.317	1.671	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C)C(F)(F)F	862323139	QFAMURKKEKMXMO-RNJXMRFFSA-N	311.304	1.471	50	20	DDGD	
CCn1ncc(C(=O)NNc2ccc(S(C)(=O)=O)cc2)c1C	866870140	ZEPOKODSSGTDQD-UHFFFAOYSA-N	322.390	1.372	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H](C)C(=O)OC(C)(C)C)c1	862479955	IGNVMSJLBWTKOL-VIFPVBQESA-N	312.391	1.795	50	20	DDGD	
Cc1ccc2c(c1)OCCCC2=NNC(=O)CS(C)(=O)=O	863187849	SBVLEFCIABLCLY-UHFFFAOYSA-N	310.375	1.033	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@@H](C)COCC1CCCCC1	932422442	WHCZMCROBOYXAP-STQMWFEESA-N	313.442	1.507	50	20	DDGD	
CC(C)(C)OC(=O)CCC(=O)NNC(=O)c1cccc(C#N)c1	764823382	PAMKMDTYDZBRLQ-UHFFFAOYSA-N	317.345	1.441	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C1CCc2cccc(Cl)c2C1	863184573	ZMHLQIXSOGOXHA-UHFFFAOYSA-N	314.794	1.346	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN[C@@H](CCO)C1CCCCC1	760864697	WYCXUJVXJOZVRI-ZDUSSCGKSA-N	313.442	1.101	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2ccccc2O)oc1C	767035069	WHCVJBNAMPNPQG-UHFFFAOYSA-N	302.286	1.844	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)N1CCOCC1	767921420	XEQBOLXAABVYBP-OLZOCXBDSA-N	313.398	1.045	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)CCN1CCCC1=O	862286744	IDJQWERKEWAUDR-UHFFFAOYSA-N	319.361	1.299	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSc1nc2cnccc2s1	863361741	PZCBHNFYKIFQGM-UHFFFAOYSA-N	324.431	1.977	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C(=O)c1ccc(Cl)s1	760289131	BNLRTXQVUVAFKG-UHFFFAOYSA-N	312.738	1.077	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cccn1Cc1ccccc1	768244783	NOFOKXPNOJTHJX-UHFFFAOYSA-N	301.346	1.068	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2cccc(N(C)C)c2)nn1C	1116522114	GYSROCKXECAODZ-UHFFFAOYSA-N	315.377	1.123	50	20	DDGD	
Cn1ccc(NNC(=O)C2(C(=O)OC(C)(C)C)CC=CC2)n1	1118770116	KKFRVULNNKVYAT-UHFFFAOYSA-N	306.366	1.541	50	20	DDGD	
CN(NC(=O)c1cnn2c(-c3ccccc3)ccnc12)C(N)=O	778414761	KLMSKHPBJRJUNT-UHFFFAOYSA-N	310.317	1.052	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](C)CCc1ccc(OC)cc1	875169528	AQPUHTJZMOPWIR-NSHDSACASA-N	309.366	1.929	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H]1CCCN1Cc1ccccc1	1115910541	MTHIZSZDBMQCEU-AWEZNQCLSA-N	320.462	1.555	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)OCC(F)(F)F)c(C2CC2)n1	1118734373	YXKWFZCIJQOUKE-UHFFFAOYSA-N	318.255	1.596	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2cn(C)nc2-c2ccccc2)n[nH]1	771558307	ZSMGBVKEJCWFFT-UHFFFAOYSA-N	308.345	1.883	50	20	DDGD	
NCCCCCCNC(=O)NNC(=O)c1cc2ccccc2o1	1118201782	SNUVFMYMVZJFRK-UHFFFAOYSA-N	318.377	1.896	50	20	DDGD	
Cn1cccc1C(=O)NNS(=O)(=O)CCC1CCCCC1	872335820	IPYLAGGHGSCRTC-UHFFFAOYSA-N	313.423	1.560	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2(OC)CCCCC2)cc1	1116677353	YRCMWZXSNBKNMS-UHFFFAOYSA-N	306.362	1.806	50	20	DDGD	
CC[C@@H](C(=O)NNC(=S)Nc1ccc(N(C)C)cc1)N(C)C	874953085	RCRVILUPFBOOHF-ZDUSSCGKSA-N	323.466	1.410	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1ccc(OCC#N)cc1	874118548	ROGKMCYTQJETDF-UHFFFAOYSA-N	315.358	1.700	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@H](C)c1ccccc1F	772074306	FTCGEIKLINSCAR-QWRGUYRKSA-N	324.352	1.808	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2nnc(C(C)(C)C)s2)n1	775544485	RJWWDXOQRAKQGZ-UHFFFAOYSA-N	323.382	1.783	50	20	DDGD	
CCOCCONC(=O)NNC(=O)C(C)(C)c1ccccc1	773294918	XEAPWBMQSDBEHS-UHFFFAOYSA-N	309.366	1.263	50	20	DDGD	
C[C@@H]1Cc2ccccc2CN1C(=O)NNC(=O)c1cccnn1	883851266	OGYXUPXUGSDSSO-LLVKDONJSA-N	311.345	1.278	50	20	DDGD	
Cc1cc(NC(=O)NNc2nccnc2C(C)C)c(=O)n(C)c1	770595294	CLPJIBUAXBCKFC-UHFFFAOYSA-N	316.365	1.756	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ncoc1-c1ccc(F)cc1	771271302	BKWJOWQOBBABIQ-UHFFFAOYSA-N	318.308	1.835	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCOC2CCOCC2)cc1O	882048536	BMPSAFALSXMXGN-UHFFFAOYSA-N	322.361	1.047	50	20	DDGD	
C[C@@H](c1ccccc1)[C@@H](C)NC(=O)NNC(=O)c1cccnn1	883489534	NIRCAQHHCPCOJP-VXGBXAGGSA-N	313.361	1.613	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccnn1CC(F)F	789871926	TZMNVEZWGZXHSZ-UHFFFAOYSA-N	308.288	1.531	50	20	DDGD	
COc1ccc(Cl)cc1C(=O)NNC(=O)CN1C[C@H]2C[C@@H]2C1	886340805	LOXLNJXYVDPGSB-NXEZZACHSA-N	323.780	1.061	50	20	DDGD	
Cc1cscc1NC(=O)C(=O)NNc1ncncc1Cl	782165962	MEQWRHLVXPCGII-UHFFFAOYSA-N	311.754	1.582	50	20	DDGD	
COC(=O)c1cc(NC[C@@]2(C)C[C@@H]2Br)ncn1	882645641	GXIORCXLHVZMJT-GZMMTYOYSA-N	300.156	1.849	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1OS(=O)(=O)CCCCl	881748529	CWLNNOVJWSKWOP-UHFFFAOYSA-N	309.727	1.941	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1cn[nH]c1	788955878	XBJPZDXINDJSRV-AWEZNQCLSA-N	300.318	1.480	50	20	DDGD	
COc1ccc(-c2ccncc2)cc1C=NNC(=O)C(C)(C)O	785458303	VQBRANVALRIYBN-UHFFFAOYSA-N	313.357	1.978	50	20	DDGD	
Cc1cccnc1C=NNC(=O)c1nn(C)c(=O)c2ccccc12	781582089	PSRKXFBHOZIPQX-UHFFFAOYSA-N	321.340	1.401	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1cc(C)ns1	785449490	KXDASOXJJHENFS-UHFFFAOYSA-N	305.359	1.989	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)SCC(=O)OC1CCCCC1	783471291	CGVONKQGODJGRC-SNVBAGLBSA-N	316.423	1.541	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2sc(C)nc2C)c1	783929190	PQUBGXIOQROXDC-UHFFFAOYSA-N	305.363	1.545	50	20	DDGD	
Cc1ccnc(NNC(=O)Cc2ccn(CC(F)(F)F)n2)c1	896298233	PLURRRWFURZQJR-UHFFFAOYSA-N	313.283	1.835	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1ccc(NC(C)=O)cc1	781592913	NCGVFYKDVJQPGN-LBPRGKRZSA-N	321.377	1.537	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=S)NC(C)(C)C)C1	899999279	GNEUWXZOLMXHLW-WPRPVWTQSA-N	309.439	1.369	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@@H](C(C)C)[C@H](O)c1ccccc1	794605377	OPWVAJLOEMZZGK-VBNZEHGJSA-N	321.421	1.280	50	20	DDGD	
COc1cccc([C@@H](O)C(=O)NNC(=S)NC(C)(C)C)c1	899996925	YSTNKJMFDSKGJO-LLVKDONJSA-N	311.407	1.022	50	20	DDGD	
CC(=O)N1CCC[C@H](CNC(=O)NNc2ccc(F)cn2)C1	793202631	MDIUKTLHYFEETM-LLVKDONJSA-N	309.345	1.105	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2ncc(Cl)n2C)cc1	799475649	ZSQXDKRSTLTTBQ-UHFFFAOYSA-N	319.752	1.471	50	20	DDGD	
CC(=NNC(=O)c1cccn1C)c1ccc(N)c([N+](=O)[O-])c1	799106681	MMPHRUBILROHBO-UHFFFAOYSA-N	301.306	1.670	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(C(C)(F)F)cc2)n[nH]1	794392963	LLGHTLIHPOXOFQ-UHFFFAOYSA-N	308.288	1.905	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)CNc1ccccc1	794902473	RFRCGBHKHCFZMD-RYUDHWBXSA-N	303.362	1.251	50	20	DDGD	
CC(=NNC(=O)CCO)c1ccc(OCC(F)(F)F)cc1	1319364981	LXPTZIZLPOPASM-UHFFFAOYSA-N	304.268	1.850	50	20	DDGD	
CN(C)[C@@H]1CCCC[C@H]1NC(=O)NNc1cncc(Cl)n1	1318409693	XUYTXYBBZLFEKW-NXEZZACHSA-N	312.805	1.629	50	20	DDGD	
O=C(CC[C@@H]1CCCNC1)NNc1nc(-c2ccccc2)no1	1328575288	USGGZWPZEHLEMT-LBPRGKRZSA-N	315.377	1.960	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)COCc1ccncc1	1326822716	BDAUPVKDWCSWHN-UHFFFAOYSA-N	315.329	1.528	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@]2(C#N)CC23CCCC3)cc1	1324629113	CODTZUMFZDHNOR-KRWDZBQOSA-N	313.357	1.930	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)Nc1cc(F)c(F)cc1F	1328680547	GEGGEBKLZBZAAS-UHFFFAOYSA-N	316.283	1.256	50	20	DDGD	
COc1cccc(C[C@H](O)C(=O)NNc2ncccc2C)c1	1326267125	HUQCIDKNQVCGGX-AWEZNQCLSA-N	301.346	1.445	50	20	DDGD	
C[C@@H]1CCC[C@H](CNC(=O)NNC(=O)C2CCNCC2)[C@@H]1C	1325324630	RNONMUJHCXEMAJ-YRGRVCCFSA-N	310.442	1.389	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2ncc(Cl)cc2C)ncn1	1327633588	BLRFTRVIQYXEPG-UHFFFAOYSA-N	320.740	1.224	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NNC(=S)NC(C)C	1339906678	HRGIKSXPYIQMLQ-UHFFFAOYSA-N	305.407	1.248	50	20	DDGD	
Cn1nc2ccccc2c1C(=O)NNc1nc2ccccn2n1	1255701054	YGUFLRKDBFMOSX-UHFFFAOYSA-N	307.317	1.373	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=S)NC(C)C)c(F)c1	1338250397	GROUCKTYWDJUJQ-UHFFFAOYSA-N	313.354	1.130	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(-c2ccc(Cl)cc2)nn1C	1334997110	MMGIPNXODKNAMA-SNVBAGLBSA-N	322.796	1.698	50	20	DDGD	
CN(C)c1ccc(CCNS(=O)(=O)CCCCl)cc1	1260058529	ATRLZVLVSOJFDW-UHFFFAOYSA-N	304.843	1.843	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cnn3c2NC[C@@H](C)C3)n1	1345561842	VYZAMUVJBVAOGS-MRVPVSSYSA-N	301.354	1.108	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCCCc1cccc(O)c1	1349960126	OEDOBBGXGVLHRT-DOMZBBRYSA-N	320.389	1.677	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CC(C)C)c(Cl)n1	1347772569	NOWIKIKJBBVUMD-UHFFFAOYSA-N	312.757	1.175	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CC[C@H](c3ccccn3)C2)cn1	1347925625	GRXOLOCXHUDWGF-QDECMSLZSA-N	307.357	1.738	50	20	DDGD	
O=C(CN1C(=O)CCC1=O)NNc1ccc(Cl)cc1Cl	1351535788	HHBHHYROJZSKBF-UHFFFAOYSA-N	316.144	1.586	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2[C@@H](C)C2(F)F)cc1	1520175388	RRNFYUMYYLQVDS-RNCFNFMXSA-N	312.316	1.676	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCCC[C@H]1CN1CCCC1=O	1520379694	CAVUXWJXXTVZED-FNDVETGQSA-N	305.378	1.434	50	20	DDGD	
COC[C@H](NC(=O)NNc1cccc(C(=O)O)c1)[C@H]1CCCO1	1606806890	BWYQIXQLOYXLTB-QWHCGFSZSA-N	323.349	1.205	50	20	DDGD	
Cc1coc(C(=O)N(c2nc(CC(=O)O)cs2)N(C)C)c1	1607918263	NRJUHIYFSUOSOV-UHFFFAOYSA-N	309.347	1.795	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCC(=O)Nc1ccsc1C(=O)O	1608170347	WXVVDBIMSQSHSK-WEVVVXLNSA-N	320.326	1.788	50	20	DDGD	
Cc1c(NNC(=O)N[C@H](C)c2nccn2C)cccc1C(=O)O	1600051227	MVCQXCWGEFKQOP-SNVBAGLBSA-N	317.349	1.814	50	20	DDGD	
Cc1c(NNC(=O)[C@H]2CCCCN(C)C2=O)cccc1C(=O)O	1600052201	DSYAXELVHDNYCK-GFCCVEGCSA-N	319.361	1.395	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)OCCCC(=O)C(=O)O	1609653881	YXAQCRIROXRKMO-MRVPVSSYSA-N	309.156	1.773	50	20	DDGD	
Cc1ccc(NC(=O)NNc2ccc(-c3nn[nH]n3)cc2)nc1	1605870406	FERTVJXKLISVDY-UHFFFAOYSA-N	310.321	1.719	50	20	DDGD	
Cc1cc(=NNC(=O)[C@]2(C(=O)O)C[C@H]2c2ccccc2)cc[nH]1	1607695618	KAKSLOZAZUFFGQ-YOEHRIQHSA-N	311.341	1.514	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc(C(=O)O)s1	1610528563	YTRDDTKQNPWDDZ-UHFFFAOYSA-N	304.327	1.830	50	20	DDGD	
CCn1cc([C@H]2OCC[C@@H]2C=NNC(=O)c2ccccn2)cn1	1552447692	KCYZYVXPQCXMSF-DOMZBBRYSA-N	313.361	1.791	50	20	DDGD	
Cc1cc(F)c(NC(=O)NN)c(I)c1	1579609114	ZVLNLXMUKVAQOP-UHFFFAOYSA-N	309.082	1.734	50	20	DDGD	
C[C@H]1CC2(CCNCC2)CN1C(=O)/C(C#N)=C\c1cnn(C)c1	1576639072	XKPVEVNNDBQLTA-XKBFBRDOSA-N	313.405	1.318	50	20	DDGD	
Cc1[nH]ccc(=NC(=O)NNc2ncccc2C(=O)O)c1Cl	1574429652	VKSHTIVYSKRJMI-UHFFFAOYSA-N	321.724	1.707	50	20	DDGD	
C=CC(=O)N(CC)CC(=O)NNc1ccc(C(=O)O)cc1F	1588655072	OILHWEPQOZXPLI-UHFFFAOYSA-N	309.297	1.002	50	20	DDGD	
NCCNC(=O)NNC(=O)/C=C/c1ccccc1C(F)(F)F	1580311402	SGNMLBLBZAVJRM-AATRIKPKSA-N	316.283	1.008	50	20	DDGD	
C[C@@]1(C(=O)NNc2ncccc2C(=O)O)C[C@H]1Br	1589181050	BKWOKUCFDHKOHC-RDDDGLTNSA-N	314.139	1.396	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N[C@H]1C[C@H](C(=O)O)C1)c1ccccc1	1589430434	OCTLDIORCGNDEP-JHJVBQTASA-N	319.361	1.374	50	20	DDGD	
CCc1nc(C)c(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)o1	1590911477	DBJPVEQNQMPYKK-UHFFFAOYSA-N	313.321	1.482	50	20	DDGD	
O=C(Cc1ccccn1)NNC(=O)Nc1cccc(C(=O)O)c1	1594711372	SJVMVLWBHVTKMQ-UHFFFAOYSA-N	314.301	1.175	50	20	DDGD	
CC[C@H](CC(F)F)C(=O)NNc1cccc(-c2nn[nH]n2)c1	1590425159	CUVZTOMNVUFULC-MRVPVSSYSA-N	310.308	1.991	50	20	DDGD	
C[C@@]1(C(=O)NNc2cccc(F)c2C(=O)O)C[C@H]2CC[C@H]1O2	1593755546	TXGQXAUYWKADSH-BGFNQPPGSA-N	308.309	1.925	50	20	DDGD	
CN(C)N(C(=O)[C@]1(C)CCCO1)c1nc(CC(=O)O)cs1	1598256131	MUVRHWJXEVDSQE-ZDUSSCGKSA-N	313.379	1.149	50	20	DDGD	
C[C@H]1CN(C(=O)[C@]2(C)C[C@H]2Br)C[C@]1(C)C(=O)O	1599915068	ORLIKDLTSJHYPD-MDSNHJATSA-N	304.184	1.729	50	20	DDGD	
O=C(NCc1ccc(C(=O)O)cc1)NNC(=O)[C@H]1CCCS1	1594773840	NTEAESBSYXXLHP-LLVKDONJSA-N	323.374	1.111	50	20	DDGD	
C=CCOC(=O)/C(C#N)=C\c1ccc(C(=O)O)cc1[N+](=O)[O-]	1776182226	SJFFOLPZSBPHRI-WDZFZDKYSA-N	302.242	1.929	50	20	DDGD	
COCCOCC(=O)NN=C(C)CCCCCCC(=O)O	1776098099	XBTYLIZFYKKGMU-UHFFFAOYSA-N	302.371	1.567	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NN=Cc1ccc(OCCC(=O)O)cc1	1776102384	OLKJPOKODLIUQK-KGLIPLIRSA-N	320.345	1.415	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)c1cccc(Br)c1	16097478	DYZZIABJENJHOC-UHFFFAOYSA-N	321.196	1.415	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)CCc2cccnc2)c1	17251753	OVIURCHFCVHCPI-UHFFFAOYSA-N	312.373	1.541	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cn2cc(C)c3ccccc32)[nH]n1	153288925	JMVKQCRAAGQRRP-UHFFFAOYSA-N	311.345	1.442	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)Cc2ccccc2)[nH]n1	153879226	BILMHSFOJAULBY-UHFFFAOYSA-N	300.362	1.748	50	20	DDGD	
Cc1noc(C)c1[C@H](C)C(=O)NNC(=O)c1ccc(C#N)cc1	154060117	FKOZMYDBVPISAR-VIFPVBQESA-N	312.329	1.728	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)N[C@H]1[C@@H]2c3ccccc3C[C@H]21	154920100	NHMQLVKORWKNKP-DJIMGWMZSA-N	322.368	1.293	50	20	DDGD	
BrC[C@@H](CN1CCN([C@@H]2CCOC2)CC1)C1CC1	859207574	SVCWYVJFRUWFIL-UONOGXRCSA-N	317.271	1.814	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)CCOCC(F)F	862290119	NWHJXRWCEFEBMI-UHFFFAOYSA-N	316.304	1.958	50	20	DDGD	
CN1CCc2cc(/C=C(\C#N)C(=O)Nc3ccn(C)n3)ccc21	179418761	PDZNZMCADTVQLU-GXDHUFHOSA-N	307.357	1.958	50	20	DDGD	
CC(C)n1cnnc1SCC(=O)NNC(=O)c1ccccc1	9212626	MGFHTUIONDESQI-UHFFFAOYSA-N	319.390	1.412	50	20	DDGD	
O=C(NCCOc1ncccc1Cl)NNc1cccnn1	178109670	JDSDIMJLHKMANU-UHFFFAOYSA-N	308.729	1.230	50	20	DDGD	
Cc1cscc1C(=O)NNC(=O)c1ccc2c(c1)OCCO2	175432597	WSRNQBAIDACJSA-UHFFFAOYSA-N	318.354	1.903	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@@H]1CCCCO1)c1ccc(F)cc1F	1261265095	SUIAPTGLUWZWTK-ZANVPECISA-N	312.316	1.785	50	20	DDGD	
O=C(NNC(=O)c1ccc(-n2cccn2)cc1)c1ccncc1	22589337	PDJJNAUIFIFJOV-UHFFFAOYSA-N	307.313	1.342	50	20	DDGD	
CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)c1cnn(C)c1	176761718	UHDBLZPXSIBRLJ-CQSZACIVSA-N	316.361	1.347	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)Sc1nnc(C2CC2)[nH]1	116611476	QUQIDHKEFDXSOE-MRVPVSSYSA-N	311.411	1.356	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc(OCC3CC3)cc2)cn1	117683188	DEMQXKDMOPOTRT-UHFFFAOYSA-N	314.345	1.284	50	20	DDGD	
CCCSCC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	112825231	WWSNZLMIBIKDLP-UHFFFAOYSA-N	318.402	1.777	50	20	DDGD	
Cc1cc(NNC(=O)CN2CCCCCCC2=O)nc(C)n1	172374538	AOJQJKDEASAWQJ-UHFFFAOYSA-N	305.382	1.329	50	20	DDGD	
CCCN(C)c1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1	64033990	HCJBTGLHEKZRPW-AWEZNQCLSA-N	305.378	1.473	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCCc2cccnc2)cc1	61859578	TWIXZZUDGCGEKT-UHFFFAOYSA-N	309.329	1.140	50	20	DDGD	
C[C@H]1CCCN(C(=O)CCNC(=O)NNc2ccccc2)C1	1346884329	KGOCFQTYFRWQSW-ZDUSSCGKSA-N	304.394	1.961	50	20	DDGD	
COc1ncccc1CNC(=O)NNc1ccc(Cl)nn1	124950065	AXQVORJVSANERT-UHFFFAOYSA-N	308.729	1.360	50	20	DDGD	
CC1(C)NC(=O)N(CCCC(=O)NNc2ccc(F)cc2)C1=O	126986976	BCPPLUZRVIFXJM-UHFFFAOYSA-N	322.340	1.379	50	20	DDGD	
CC(Cl)(Cl)C(=O)NNC(=O)Cc1cn2ccccc2n1	181532746	ZLOIOPPLRAZLLE-UHFFFAOYSA-N	315.160	1.218	50	20	DDGD	
COc1cccc(OCC(=O)NNc2cc(C)nc(C)n2)c1	128715264	QFQWXLGPXLMXII-UHFFFAOYSA-N	302.334	1.624	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cc(F)c(F)c(F)c2)[nH]n1	186045065	PYTGOMRURNHMRL-UHFFFAOYSA-N	313.239	1.602	50	20	DDGD	
C[C@H]1CCCCN1CCCCNC(=O)NNC(=O)c1ccc[nH]1	128744632	MRCFRSFSZXLIOJ-ZDUSSCGKSA-N	321.425	1.613	50	20	DDGD	
COc1cccc(NNC(=O)NCCc2c(C)noc2C)n1	181240339	IUBQXMWAIZWLSQ-UHFFFAOYSA-N	305.338	1.564	50	20	DDGD	
CN(NC(=O)c1cccc(COc2ccccc2C#N)c1)C(N)=O	182653663	OZDFINSJDCPBSR-UHFFFAOYSA-N	324.340	1.793	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1c(C)ccn1C	189673147	VEZUGTLHZJDBTQ-UHFFFAOYSA-N	301.346	1.346	50	20	DDGD	
CSCCCCCNC(=O)NNC(=O)Cc1ccncc1	186186498	AJNWVTRGVWBLGK-UHFFFAOYSA-N	310.423	1.488	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NNc1ccncc1	180453950	MYFWGVPFKXNVNE-LBPRGKRZSA-N	306.366	1.924	50	20	DDGD	
CC[C@@H](C)[C@@H](C)NCC(=O)NNC(=O)Cc1ccccc1C	183073373	JUMKMOOFFMCPHR-TZMCWYRMSA-N	305.422	1.709	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(-c2ccc(C)cc2)n[nH]1	43025533	KSWZYQKJPAJCTP-UHFFFAOYSA-N	301.350	1.739	50	20	DDGD	
CCCCNc1ccccc1C(=O)NNC(=O)[C@@H]1CCCO1	135944408	RDHYBFIJEAOBGB-AWEZNQCLSA-N	305.378	1.839	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CC1CCSCC1	135421547	AXFIQKFLESBKAG-UHFFFAOYSA-N	322.430	1.918	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)NC[C@@H]1C[C@@H]1C	47099143	MPGXHOUOGDJSIJ-RYUDHWBXSA-N	321.377	1.451	50	20	DDGD	
COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NNc2ncccn2)c1	191721304	ULSDQLKFZGKIGO-YPMHNXCESA-N	314.345	1.741	50	20	DDGD	
CC(C)C[C@H](C(=O)NNc1cccnn1)N1CCCCC1=O	88381271	DTPBJYOMPPEVBK-GFCCVEGCSA-N	305.382	1.347	50	20	DDGD	
CC(C)n1nccc1C(=O)NNc1nc2ccccc2c(=O)[nH]1	132554715	ZNNOUQRNYOQZCV-UHFFFAOYSA-N	312.333	1.457	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2ccncc2)cc1F	194411142	HGFNEABAWHEMOA-UHFFFAOYSA-N	317.320	1.623	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)CN(C)C)Cc1ccc(Cl)cc1	89439583	KMGKAWHJLVWHOQ-LLVKDONJSA-N	311.813	1.618	50	20	DDGD	
O=C(NN=c1c(=O)c2cccc3cccc1c32)c1ccncc1	254867600	HXTVXHNCQIMXPS-UHFFFAOYSA-N	301.305	1.870	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)c(OC)c1	269389287	BAFFAZWABWHHGW-GFCCVEGCSA-N	308.334	1.034	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNC(=O)COc1ccccc1O	264585324	VDHCQYBHBUZWJL-NSHDSACASA-N	310.350	1.124	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CCNC(=O)CC(C)C)n1	267192300	PIRSEZJOVMXDJC-UHFFFAOYSA-N	313.789	1.434	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCN1CC[C@@H](S(N)(=O)=O)C1	616614880	ZFDDNBAOIFGLFQ-LLVKDONJSA-N	308.520	1.371	50	20	DDGD	
O=C(C[C@H]1CSCCS1)NNc1ncnc2nc[nH]c12	269872702	VDZGXQRRVRLARF-ZETCQYMHSA-N	310.408	1.035	50	20	DDGD	
CC[C@H]1CO[C@H](C)CN1CC(=O)NNC(=O)c1ccc(F)cc1	268537006	RWJXDSLBMZNXMP-RISCZKNCSA-N	323.368	1.086	50	20	DDGD	
O=C(NNc1cccnn1)N[C@@H]1CCO[C@]2(CCSC2)C1	366391400	TUNJFNUMSKVTDD-ZWNOBZJWSA-N	309.395	1.157	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	277703449	FMPIBTREWIEHNG-UHFFFAOYSA-N	320.345	1.277	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H](C(=O)NNC(=O)c2cccnc2)C1(C)C	275458446	JVNSFHWJZVDDMD-ZYHUDNBSSA-N	303.362	1.484	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](C)n2nnnc2C(C)(C)C)cc1	273378850	GJNOEGXFWFMTJZ-SNVBAGLBSA-N	318.381	1.684	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC1CCN(Cc2cccnc2)CC1	278432967	DLKUABVDWCBERC-FYWRMAATSA-N	314.389	1.606	50	20	DDGD	
CC(=O)Nc1ccc(CNC(=O)NNC(=O)OC(C)(C)C)cn1	279960881	IGNHBKAGWFNNSU-UHFFFAOYSA-N	323.353	1.279	50	20	DDGD	
CC[C@H]1C[C@@H](C(=O)NNc2ccc(C(=O)OC)cn2)CCO1	272710520	XNJITKQLILQKOB-JQWIXIFHSA-N	307.350	1.517	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Cc1cccc(F)c1	276499087	BWHZLPQSDIGMMD-UHFFFAOYSA-N	312.341	1.305	50	20	DDGD	
COc1cccc(NNC(=O)NCC[C@@H]2CCO[C@H](C)C2)n1	273125731	SDXIRYQCPNDTCK-VXGBXAGGSA-N	308.382	1.922	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC12CCOCC2)c1c[nH]c2ccccc12	365766160	SEQMLFQUUHYOFQ-CYBMUJFWSA-N	313.357	1.746	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1	276656594	DQAHBJBZTDJKTR-UHFFFAOYSA-N	310.310	1.218	50	20	DDGD	
COC1(C(=O)NNC(=O)COc2ccccc2F)CCCCC1	274629815	VPPGLBYZEZIEJX-UHFFFAOYSA-N	324.352	1.701	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CC(C)C)cc1[N+](=O)[O-]	273551138	YUUHDYUBWOZSBR-UHFFFAOYSA-N	310.310	1.802	50	20	DDGD	
CCc1nc(-c2ccc(C(=O)NN(C)C(=O)OC)cc2)n[nH]1	286320916	LAMDSPFVZKLLMH-UHFFFAOYSA-N	303.322	1.377	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CCCC#N)cc1C	291882659	JFHQILGXYHQZIW-UHFFFAOYSA-N	302.334	1.083	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCc1ccc2c(c1)OCCO2	298663373	QNZCIUHNKKSXJV-UHFFFAOYSA-N	321.377	1.377	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)C1[C@H]2CCC[C@H]12	294707203	RILPVAZLPUSVPN-QWRGUYRKSA-N	323.418	1.426	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)NOCC2CC2)c1	297237058	HBJLSFIJLNBWEP-UHFFFAOYSA-N	307.350	1.354	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCCCO1	296816063	VHQYIYZCWCRKDK-LLVKDONJSA-N	318.782	1.219	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc(O)c3ccccc3n2)O1	293911871	MKQGSRWZONYLLT-XPTSAGLGSA-N	315.329	1.269	50	20	DDGD	
O=C(NNC(=O)c1cccc[n+]1[O-])Nc1cc(F)cc(F)c1	802006645	NIEYXIMAFWMLKW-UHFFFAOYSA-N	308.244	1.065	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C[C@H]2CCC(=O)[C@H]2C)cc1	802058926	BCDHZBXSWLDLSS-WDEREUQCSA-N	319.361	1.853	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)COc1ccc(F)cc1)C1CC1	291937685	BQHDEGMWKXPMID-HNNXBMFYSA-N	310.325	1.167	50	20	DDGD	
CN1C(=O)CC[C@@H]1C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	806342272	HCAIHJSNKTUFMQ-CYBMUJFWSA-N	317.389	1.366	50	20	DDGD	
CC[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	294244162	NOECNEIAEHWBSF-SUHUHFCYSA-N	324.352	1.698	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)C1(C)CCC1	294661237	NWVHWKUBCUXPFR-UHFFFAOYSA-N	311.407	1.570	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](CC)C(N)=O)c1C	297676657	HNBMJXWEIJANKK-AAWPKVBNSA-N	316.405	1.802	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)NC[C@@H]2CCOC[C@H]2C)c1	297981892	MRSQMKAPAINNFJ-YPMHNXCESA-N	320.393	1.944	50	20	DDGD	
COc1ccc(CNC(=O)NNc2ncccc2C)c(OC)n1	290940952	LVAFUAURHTYWDS-UHFFFAOYSA-N	317.349	1.629	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(C(C)(C)C#N)cc2)O1	294347626	UMMQIXHYOQOKRD-FZMZJTMJSA-N	315.373	1.816	50	20	DDGD	
CCN(CC)c1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	292478703	LRCMJVAJVGXRCE-WFASDCNBSA-N	319.405	1.861	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)c1ccc(C2=CCCC2)cc1	290630047	XVOQUKSYBNCGKD-UHFFFAOYSA-N	315.373	1.540	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNc2ncncc2F)cc1	815764174	VKFMGRQRRZANLQ-UHFFFAOYSA-N	319.296	1.096	50	20	DDGD	
COC(=O)C(C)(C)CC=NNC(=O)Cn1cnc2ccccc21	814729187	FKUDHHYFIOXIHN-UHFFFAOYSA-N	316.361	1.728	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)Nc1ccn2ccnc2c1	810231989	SXMILWMGCYZGAF-UHFFFAOYSA-N	303.713	1.926	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1cccc(CN(C)C)c1	814912473	UGAWAQHZBZHZCA-UHFFFAOYSA-N	317.437	1.429	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)c2ccccc2OC)n1C	814843724	MAPBWVBPYNRLIS-UHFFFAOYSA-N	315.329	1.584	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)C[C@H](C)n1cccn1	819463454	QUOBCPTZVWPIQY-NSHDSACASA-N	302.334	1.764	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=S)NC2CCC2)c1	814191124	HCUOXGHFFOOPRB-UHFFFAOYSA-N	308.407	1.155	50	20	DDGD	
COC(=O)c1cc(NNC(=O)Cn2nc(C)cc2C)ccc1C	816690389	QKJMIGDNOCWFBF-UHFFFAOYSA-N	316.361	1.738	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H]2C[C@H](C)Cc3c[nH]nc32)n1	816837276	PQVBWSIXQPCCEM-PELKAZGASA-N	300.366	1.626	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1cc(Br)cnc1Cl	816633466	CHSSWGIJHUFXGN-UHFFFAOYSA-N	317.534	1.373	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)[C@H]1CC(=O)N(C2CCCC2)C1	817012152	ZYUYCJDFFLHWET-JTQLQIEISA-N	322.796	1.969	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccnc1)c1ccccc1C#N	814873619	KKZOMWZQJJNYMI-UHFFFAOYSA-N	321.340	1.223	50	20	DDGD	
CC(=NNC(=O)Cc1ccncc1)c1ccc(-c2nn[nH]n2)cc1	819773523	SRGUZMJDZJLJTL-UHFFFAOYSA-N	321.344	1.345	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)COCc1ccccc1	812516577	SSDMMDVHXOMDCN-OLZOCXBDSA-N	308.378	1.269	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(COC)Cc1ccccc1	814854600	OWBOLNYBWXNWCA-UHFFFAOYSA-N	319.405	1.653	50	20	DDGD	
O=C(NNS(=O)(=O)CCc1cccs1)C1CCCC1	811681622	KFJJYYVQQKWZBK-UHFFFAOYSA-N	302.421	1.431	50	20	DDGD	
CN(NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C1CC1	819642603	NCZLZSFDUHIPTH-UHFFFAOYSA-N	323.418	1.210	50	20	DDGD	
CC(C)C(=O)NNC(=S)NCCCN(C)c1ccccc1	726439092	JFGHHNQGGSXSLC-UHFFFAOYSA-N	308.451	1.664	50	20	DDGD	
CN(C)c1cc(NC(=O)NNc2ncncc2Cl)ncn1	810217717	ATMXYQUSNLJZEA-UHFFFAOYSA-N	308.733	1.135	50	20	DDGD	
CC[C@H]1Cc2ccccc2CN1CC(=O)NNC(=O)C(C)C	828904836	RPYOAZXIHLIGAG-HNNXBMFYSA-N	303.406	1.627	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H]2C[C@H](C(=O)OC)C2)cc1	824166640	MBUBZZKXICVPQQ-UMSPYCQHSA-N	307.350	1.663	50	20	DDGD	
COCCCOCCC(=O)NNc1nc(-c2ccccc2)no1	827106779	YYMMOYLBMAUEGN-UHFFFAOYSA-N	320.349	1.623	50	20	DDGD	
CC(=O)NC[C@H](CC(=O)NNc1ccnc(F)c1)CC(C)C	828123316	RPAWWWPWTYUIRI-LBPRGKRZSA-N	310.373	1.852	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@H]1CCCN(CC(F)(F)F)C1	820523893	YSVZPBVNHGCVSH-LWMMSDEHSA-N	319.327	1.821	50	20	DDGD	
O=C(CCCCN1CCCC1)NNC(=O)c1ccccc1F	729296914	LPOYIUHLSAUAGF-UHFFFAOYSA-N	307.369	1.853	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1ccccc1Cl	825535018	XSZVANUCHQGCIX-KOLCDFICSA-N	311.769	1.595	50	20	DDGD	
C[C@H](C(=O)NNC(=S)NCC1CCC1)c1cccc(O)c1	824437285	OYFBMWFPLZEYNB-JTQLQIEISA-N	307.419	1.791	50	20	DDGD	
C[C@@H]1Oc2cc(F)ccc2[C@@H]1NCc1cccc(B(O)O)c1	585040796	QDGYEWVEUCAOLW-MGPLVRAMSA-N	301.126	1.117	50	20	DDGD	
OB(O)c1ccc(CNC[C@H]2CCOc3ccccc32)c(F)c1	585024168	RFUROIITWAUVNC-GFCCVEGCSA-N	315.153	1.161	50	20	DDGD	
O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1ccc(B(O)O)c(F)c1	584951372	ORKXKYFCUPAMDT-SWLSCSKDSA-N	305.158	1.204	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)Cc2cccc(F)c2)nc(N)n1	828367802	XHDIRVYXERLWDM-SECBINFHSA-N	303.341	1.828	50	20	DDGD	
CCc1nnsc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	825772014	XCMKGPWEOPPOPE-UHFFFAOYSA-N	316.350	1.038	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1ccc(Cl)c(Cl)c1	495945323	IXDDXUFINATOHR-UHFFFAOYSA-N	313.162	1.885	50	20	DDGD	
Cc1cc(Br)c2oc(C(=O)NCB(O)O)cc2c1	585062269	DXYFPDAXPYKJIK-UHFFFAOYSA-N	311.928	1.246	50	20	DDGD	
CN(C)CCn1nccc1C(=O)NNc1cccc(Cl)n1	908353933	HAFCRHWIFWVGAR-UHFFFAOYSA-N	308.773	1.250	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	738503628	SCVCSBJHSQYMKS-ZZTKBFGJSA-N	323.437	1.958	50	20	DDGD	
CN1CCO[C@@H](C(=O)NNc2ccc(C(F)(F)F)cc2)C1=O	901164326	FUWWEMWVSQTYHM-JTQLQIEISA-N	317.267	1.006	50	20	DDGD	
CCSc1ccccc1CC(=O)NNC(=O)N1CCOCC1	906449156	ZPIYKGSNEUPPPA-UHFFFAOYSA-N	323.418	1.414	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(C(C)=O)c(C)c1	906417143	JIQZXUTWFDTUGD-UHFFFAOYSA-N	307.350	1.178	50	20	DDGD	
C[C@H](NC(=O)[C@]1(C)C[C@H]1Br)C(=O)NC(C)(C)C	906404947	PFYZKLCFNYZBLW-JOAULVNJSA-N	305.216	1.579	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)c1nc(-c2cccc(B(O)O)c2)no1	585051515	IMSMTCPTDYXYLT-MRVPVSSYSA-N	313.122	1.173	50	20	DDGD	
CCCN1C[C@H](C(=O)NNc2cccc([N+](=O)[O-])c2)CC1=O	839707753	FQFWOJUUAWPACG-SNVBAGLBSA-N	306.322	1.296	50	20	DDGD	
COC1(CNC(=O)[C@]2(C)C[C@H]2Br)CCOCC1	907089319	XMDMPCHENHWOAV-MWLCHTKSSA-N	306.200	1.472	50	20	DDGD	
C[C@@]1(C(=O)Nc2n[nH]c3nc(O)ccc23)C[C@H]1Br	908317211	WUDGPSNBSKQTLT-KSBSHMNSSA-N	311.139	1.776	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NC[C@H]2CCCN2C)ccc1F	837872580	LERFNNAZZMIUID-LLVKDONJSA-N	324.356	1.333	50	20	DDGD	
CN1CC[C@]2(CCN(C(=O)[C@]3(C)C[C@@H]3Br)C2)C1	908364455	ZVEROMFOCFTHAT-UHTWSYAYSA-N	301.228	1.714	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1cncnc1C1CC1	839480131	YZXFWXNJUVRLME-UHFFFAOYSA-N	311.345	1.227	50	20	DDGD	
O=C(c1cc(F)cc(C(F)(F)F)c1)N1CC[C@H](B(O)O)C1	585068711	GCSIPFKXKZVZHQ-VIFPVBQESA-N	305.036	1.533	50	20	DDGD	
COc1cc(C2(C(=O)N3CC[C@H](B(O)O)C3)CCC2)ccc1C	585072465	NHHISKSIMJQYKA-AWEZNQCLSA-N	317.194	1.501	50	20	DDGD	
CN(C(=O)c1ccc(B(O)O)cc1)[C@H]1CCC[C@@H]1C(C)(C)C	584998861	BJUQUOGMZXXHGS-GJZGRUSLSA-N	303.211	1.653	50	20	DDGD	
C/C(=C(\F)C(=O)NNc1ccc(-n2ccnc2)nn1)C1CC1	908179929	DEGYQMPYEUVFLM-UKTHLTGXSA-N	302.313	1.759	50	20	DDGD	
Cc1ccc(-c2nc(C=NNC(=O)NCC(=O)O)co2)cc1	833746579	KZEXCMGFQNNIQY-UHFFFAOYSA-N	302.290	1.368	50	20	DDGD	
CCC[C@H]1CCCC[C@@H]1CNC(=O)NNC(=O)C(=O)NC1CC1	838723544	PIZPRTZTVNGRHM-NWDGAFQWSA-N	324.425	1.202	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1	836785646	SCSJOIYISSMUGN-NWDGAFQWSA-N	300.366	1.580	50	20	DDGD	
Cc1[nH]c(C(=O)O)c(C)c1C(=O)NNC(=O)Cc1ccsc1	738166534	OGBBRXLWDUYNOO-UHFFFAOYSA-N	321.358	1.395	50	20	DDGD	
OB(O)c1ccccc1CNCCCCCOC1CCCCC1	585019723	GROQDLZSDJMLLF-UHFFFAOYSA-N	319.254	1.976	50	20	DDGD	
O=C(NCB(O)O)/C(=C/c1ccc(F)cc1)c1cccs1	585054641	OMUOYZNXJMNWHE-XYOKQWHBSA-N	305.139	1.556	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1[N+](=O)[O-])c1nccs1	732622222	NYSYEVFRRKALJY-UHFFFAOYSA-N	320.330	1.971	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2cn3ccsc3n2)n1	916218806	UISJKKKPADVVQJ-UHFFFAOYSA-N	317.378	1.629	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(O)nc2ncccc12)C(F)(F)F	913992733	HEFYXUMMMHCYQL-LURJTMIESA-N	300.240	1.977	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)Cc1coc2ccccc12	834972307	APWXFAXTQAGLNC-UHFFFAOYSA-N	303.318	1.823	50	20	DDGD	
CC(C)[C@@]1(C)C[C@@H]1NC(=O)NNC(=O)COc1ccccc1O	838763075	HMWWANXZHORQJD-XJKSGUPXSA-N	321.377	1.536	50	20	DDGD	
C[C@@H](Cc1cncc2ccccc12)C(=O)NN(C)C[C@@H](C)O	910147050	IUXMHLLZQHFLDS-QWHCGFSZSA-N	301.390	1.757	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1c[nH]ccc1=Nc1ccccc1	910139155	PPUYEWMAUWJDAS-LBPRGKRZSA-N	300.362	1.205	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1C	911502491	IDNDTZNZCZOHII-RISCZKNCSA-N	304.346	1.384	50	20	DDGD	
CO[C@@H]1CCCCC1=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1	915951706	ROYJZYRICKGJHA-CYBMUJFWSA-N	306.322	1.852	50	20	DDGD	
Cc1cc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c(C)s1	844341433	LXAGQLJDXBYSGO-LLVKDONJSA-N	316.448	1.471	50	20	DDGD	
CC(C)(C)c1ccc(S(=O)(=O)NNC(=O)c2cc[nH]n2)cc1	849310986	YABHXBLFKZWYPO-UHFFFAOYSA-N	322.390	1.331	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1ccccc1C	916361713	DVMLTBJIMKOQRD-CQSZACIVSA-N	303.406	1.804	50	20	DDGD	
O=C(COC(=O)C1CC=CC1)NNC(=O)c1cccc(Cl)c1	741043326	YDPBPEOITCXBMA-UHFFFAOYSA-N	322.748	1.610	50	20	DDGD	
COC(=O)[C@@H](C)c1ccc(NC(=O)NNC(=O)CC2CC2)cc1	841769410	CGEGORIQBRUXDA-JTQLQIEISA-N	319.361	1.916	50	20	DDGD	
COC(=O)c1cnc(C(C)=NNC(=O)[C@@H]2CCCCO2)s1	841641550	YRGARGBPCCSPCT-VIFPVBQESA-N	311.363	1.339	50	20	DDGD	
CC[C@@H](CC#N)NCC(=O)NNC(=O)c1cccc(Cl)c1	846988050	QDHWEYHJQLSARK-LBPRGKRZSA-N	308.769	1.383	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)COc1ccc2c(c1)CCC2	843646346	KNVSFXIRRDMQNJ-XHDPSFHLSA-N	318.373	1.127	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C2CCN(C)[C@@H](C)C2)c1	741458616	WGJZXGGZZIGFQN-NSHDSACASA-N	305.378	1.904	50	20	DDGD	
COc1cccc(NCC(=O)NN=C(C)c2ccn(C)n2)c1	841614064	FZCDWVQQPFQSKT-UHFFFAOYSA-N	301.350	1.381	50	20	DDGD	
CCCCCCO[C@H](C)C(=O)NNC(=O)NCC(F)(F)F	840446539	VRLYYUNLSJYZBA-SECBINFHSA-N	313.320	1.865	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1ccc(Cl)c(C)c1	848450313	YONALCAIIPREEB-UHFFFAOYSA-N	319.814	1.941	50	20	DDGD	
CCCC[C@H](CN)NC(=O)NNC(=O)c1cccc(N(C)C)c1	841959880	VTLLZRBNXTXGGU-CYBMUJFWSA-N	321.425	1.214	50	20	DDGD	
Cc1nc(SCC(=O)NNc2oc(C(C)C)nc2C#N)n[nH]1	746184282	IVBDQBBFQAULIB-UHFFFAOYSA-N	321.366	1.332	50	20	DDGD	
CCN(CC)C(=O)CNC(=O)c1c(C)nn(CCCl)c1C	746166115	WJLFQMYGHIYZLF-UHFFFAOYSA-N	314.817	1.337	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)CCc1ccc(F)cc1	849305070	XHXFMQDBHHZCDM-UHFFFAOYSA-N	302.371	1.365	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N[C@@H](CN)C2CCCC2)cc1	841984112	BWQSMWHJQWVDMX-AWEZNQCLSA-N	315.377	1.020	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1ccc(-n2ccnc2)cc1	920833432	NYLDITPABJXIJV-UHFFFAOYSA-N	315.377	1.932	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1coc2ccccc12	843658813	VZHROFOWPZLHHE-JQWIXIFHSA-N	302.330	1.548	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnc(-c2ccc(OC)cc2)s1	742585299	GIKCYDBCJQBQJJ-UHFFFAOYSA-N	320.374	1.783	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Cn1cc2ccccc2n1	748538292	AUDWCKAIDDXOHR-UHFFFAOYSA-N	324.340	1.506	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C23CC(C(=O)OC)(C2)C3)cc1	843518628	YIUVPHFHEZIWMR-UHFFFAOYSA-N	316.357	1.353	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNc1ncc(Br)cn1	848321737	BXDFNRSKHDTDAU-APPZFPTMSA-N	317.187	1.743	50	20	DDGD	
Cc1n[nH]cc1C=NNC(=O)c1cc(Br)ccc1O	741768705	KXVPPDGFOXEOCK-UHFFFAOYSA-N	323.150	1.950	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H]1COc2ccc(OC)cc2C1	920766602	IUCMHGVOHRTFLO-GFCCVEGCSA-N	321.377	1.377	50	20	DDGD	
CCn1ccc(CC(=O)NNc2ccc(CC(=O)OC)cc2)n1	846377663	ZBEZNCFFXPLACB-UHFFFAOYSA-N	316.361	1.304	50	20	DDGD	
Cc1ccc(NNC(=O)NCCc2nc3c(s2)CCC3)nn1	926578901	SAIVIAPVZNRARS-UHFFFAOYSA-N	318.406	1.599	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H](C)CN2CCOCC2)c(C)n1C	754918714	UNBWIJVEBGDJKS-LBPRGKRZSA-N	306.410	1.060	50	20	DDGD	
C[C@H]1C[C@H](C(=O)O)CCC1=NNC(=O)Cc1ccccc1O	853401292	ZMNJSSKLAPHUOB-CMPLNLGQSA-N	304.346	1.928	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H]1CCC[C@@H](OC)C1	854285528	MBLUAELXNKADML-VXGBXAGGSA-N	317.455	1.066	50	20	DDGD	
CN(C)C(=O)CCCNC(=O)NC[C@@]1(C)C[C@H]1Br	856827757	VDOSHMUZQBZKCH-BXKDBHETSA-N	320.231	1.328	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ncsc1Nc1cccnc1	859328856	VPPJJLIIXJVHHB-UHFFFAOYSA-N	317.374	1.843	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2ccc(CC#N)cc2)c1	758061007	QPGFRZCZVIPZEK-UHFFFAOYSA-N	323.352	1.901	50	20	DDGD	
CC(Cn1cncn1)=NNC(=O)[C@@H](C)Oc1ccccc1F	853274323	MIEPPRFOCVOGMH-LLVKDONJSA-N	305.313	1.377	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cnc3n2CCC3)n1	857152679	BVJYDYPLBKNJIN-UHFFFAOYSA-N	315.381	1.222	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@H](c2ccccn2)C2CC2)cn1	928610334	IAYOBSGQFBUBOC-VCHSTOLQSA-N	307.357	1.990	50	20	DDGD	
CNc1nnc(CC(=O)NNc2ccccc2[N+](=O)[O-])s1	759380909	WHEJNQKBFXBPNX-UHFFFAOYSA-N	308.323	1.174	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC[C@H]1CCN1C)c1ccccc1	925415086	YFUXIRFGVMMQTA-KGLIPLIRSA-N	304.394	1.215	50	20	DDGD	
COCCOCC(=O)NNC(=S)Nc1cccc(C)c1C	854185178	QCMSAXHXBZZLTJ-UHFFFAOYSA-N	311.407	1.284	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCCOC[C@H]1CCOC1	853711450	UXMPBZLWMNUZNB-LBPRGKRZSA-N	311.357	1.813	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NNC(=O)C(C)C	858143295	JIRPQNYUXBBVBT-SNVBAGLBSA-N	301.387	1.435	50	20	DDGD	
O=C(COc1ccc2c(c1)CCCC2)NNC(=O)c1cc[nH]n1	855357275	GRHLHKSGVNJPQF-UHFFFAOYSA-N	314.345	1.129	50	20	DDGD	
COc1cc(OC2CC2)ccc1C(=O)NNc1cnnn1C	857274093	ZTHAYVNCHHOFEN-UHFFFAOYSA-N	303.322	1.122	50	20	DDGD	
CNC(=O)C[C@H](C)NC(=O)NNc1cc(F)cc(Cl)c1	854116304	FMNHIZSYUDQHNB-ZETCQYMHSA-N	302.737	1.630	50	20	DDGD	
Cc1csc([C@@H](NCC(=O)NNC(=O)C(C)(C)C)C2CC2)n1	754201914	HAVSAVXQPDIXKY-LBPRGKRZSA-N	324.450	1.686	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)c2cccc(C(=O)O)c2)[C@H]1OC	853426087	JSHKANFICAQABV-CHWSQXEVSA-N	306.318	1.294	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)C(C)(C)C)c1cc(C)nn1C	853408394	QFTJGMHVQGFVIT-UHFFFAOYSA-N	321.425	1.511	50	20	DDGD	
Cn1nc(C(=O)NNc2cc(Cl)nc(N)n2)cc1C1CC1	753454429	SMGFCMYNWBQOOH-UHFFFAOYSA-N	307.745	1.080	50	20	DDGD	
CC(C)(C)n1nnc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)n1	853254910	LLVNPWBIMVIAFI-UHFFFAOYSA-N	317.309	1.100	50	20	DDGD	
O=C(NNC(=O)C(F)(F)c1nccs1)c1ccccc1O	757664185	PAYKTZXUMRFDJD-UHFFFAOYSA-N	313.285	1.402	50	20	DDGD	
C[C@H](C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)Cc1ccccc1	853389448	JGVKPBSEFKHXLG-UAGQMJEPSA-N	315.417	1.830	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)OCC(F)(F)F)cc1	856026541	CQDGEERXIUIETE-UHFFFAOYSA-N	322.239	1.394	50	20	DDGD	
CC(=O)N[C@H](CCC(C)C)C(=O)NNC(=O)CC1CCCC1	857090497	TZIJLVCSJWVMJU-CQSZACIVSA-N	311.426	1.655	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)c1cccc2ncccc12	755337152	XDFOTOGUXJCKKN-NSHDSACASA-N	301.346	1.668	50	20	DDGD	
Cc1cc(C(=O)CCC(=O)NNC(=O)c2cc[nH]n2)c(C)s1	855362785	VACBWDMPBOPHFY-UHFFFAOYSA-N	320.374	1.512	50	20	DDGD	
CN(C)c1cnc(C(=O)NC[C@]2(C)C[C@@H]2Br)cn1	857393363	FUKFQRUFNBVDGX-CABZTGNLSA-N	313.199	1.446	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CCc3nnn(C)c3C2)cc1F	856225606	KUOBQEXCXNBPJI-JTQLQIEISA-N	303.341	1.511	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1c(Br)cnn1C	864350006	ARNSIGXGTUJODQ-VMPITWQZSA-N	313.155	1.243	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)CC(C)(C)CCl)CC[S@@](=O)C1	867193596	QCBPUKHEMDGENL-BMLIUANNSA-N	315.888	1.282	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cnc(C2CC2)s1	761814104	YQELIUYJCFNBMY-UHFFFAOYSA-N	308.407	1.775	50	20	DDGD	
COCCOCC(=O)NNC(=O)[C@H]1CCSc2ccccc21	869910537	UNXJOSSWTBHJOE-LBPRGKRZSA-N	324.402	1.076	50	20	DDGD	
COC(=O)CC1(CC(=O)NN=c2cc[nH]c(C)c2)CCCC1	862512192	NOGMLWDKRQDLEW-UHFFFAOYSA-N	305.378	1.769	50	20	DDGD	
COCCN(C)NC(=O)C1CC(O)(c2cccc(Cl)c2)C1	861657228	RGQDTBLANZDNIV-UHFFFAOYSA-N	312.797	1.547	50	20	DDGD	
O=C(NN=Cc1cnc(C2OCCO2)s1)c1cccnc1	761723988	LADOUWXSJMPOBN-UHFFFAOYSA-N	304.331	1.347	50	20	DDGD	
O=C(NNC(=O)c1csc(NC2CC2)n1)c1ccncc1	769535050	LJZUGAPZMUNVOT-UHFFFAOYSA-N	303.347	1.187	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)Nc1cccc(F)n1	768097000	PTFXQGFKSPURAP-UHFFFAOYSA-N	322.271	1.592	50	20	DDGD	
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)NC1CC1	765414364	RGKTUHUMUBHBRC-LLVKDONJSA-N	320.349	1.656	50	20	DDGD	
O=C(CCc1nnc(C2CCCC2)o1)NNC(=O)NCC1CC1	760450256	QBUKMUQFPTVFFD-UHFFFAOYSA-N	321.381	1.400	50	20	DDGD	
N#CC1=CCN(C(=O)CNC(=O)NCc2ccc(F)cc2)CC1	760002742	CDCDNAJKALHIKE-UHFFFAOYSA-N	316.336	1.307	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCSC2)cc1OC	761784441	WNMXDZUGDPBCLP-SNVBAGLBSA-N	310.375	1.218	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2cn[nH]c2)cc1OC(C)C	861023310	JBHIXRKKGSBTJS-UHFFFAOYSA-N	317.349	1.972	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)Nc2ccc(C)c(F)c2)n[nH]1	764498561	VAXOCKULLOPYRF-UHFFFAOYSA-N	307.354	1.797	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)CCCc2ccccc2)c1C	865142467	FUCSFYHIRDCUGO-UHFFFAOYSA-N	314.389	1.995	50	20	DDGD	
CC#CCCCC(=O)NNC(=O)c1ccc(OC)c(OC)c1	767045867	HAQPADDDTFWIBB-UHFFFAOYSA-N	304.346	1.658	50	20	DDGD	
Cc1nccn1CCCC(=O)NNCC(F)(F)C(F)(F)F	863094317	HQJQUWDRKOMGDT-UHFFFAOYSA-N	314.258	1.790	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc(N2CCOC2=O)cc1)C(F)(F)F	862309596	NFKKQGGAODTBSP-MRVPVSSYSA-N	317.267	1.828	50	20	DDGD	
COc1ccc(NNC(=O)CCCC(=O)N(C)C)c([N+](=O)[O-])c1	769312686	SQXTVTISHIKPTB-UHFFFAOYSA-N	324.337	1.305	50	20	DDGD	
Cc1cccc(NNC(=O)NCCCN2CCCO[C@@H](C)C2)n1	875534522	MBISNTZYLTVECT-AWEZNQCLSA-N	321.425	1.517	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H](C)CC(N)=O)c1	873756184	CGAZDTPDAZPADX-JTQLQIEISA-N	308.407	1.133	50	20	DDGD	
COC(=O)C(=O)NN=Cc1cc(Cl)c2ccccc2c1O	1116477079	MRZNGTXLFPXRSP-UHFFFAOYSA-N	306.705	1.822	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2nccn3ccnc23)nn1	1116156765	WBKUXVNMMPOFEH-UHFFFAOYSA-N	311.349	1.574	50	20	DDGD	
O=C(CC1CCN(CC(F)F)CC1)NNC(=O)c1ccc[nH]1	873834187	MJWWZAJLDDNWIX-UHFFFAOYSA-N	314.336	1.143	50	20	DDGD	
COc1ccnc(NNC(=O)C(=O)Nc2ccc(F)cc2C)n1	773723465	BICKWVVMWNFJGJ-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
CC#CCCNC(=O)NNC(=O)c1ccc(OCC)c(OC)c1	776204383	CLNIMWZANAJMDD-UHFFFAOYSA-N	319.361	1.451	50	20	DDGD	
CC(C)(O)CN1CCC(NC[C@]2(C)C[C@@H]2Br)CC1	877646657	KKHUULUWGXDWKS-JSGCOSHPSA-N	319.287	1.985	50	20	DDGD	
COCCOCC(=O)NN=Cc1c(C(C)C)nn(C)c1Cl	872402774	JFYFDFHXCSVKCH-UHFFFAOYSA-N	316.789	1.310	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)c2ccccc2Cl)CC1	1116128470	JYFUHFVVQZOTNB-UHFFFAOYSA-N	310.737	1.444	50	20	DDGD	
CC(=O)c1cc(NC(=O)NNC(=O)C2CCOCC2)ccc1F	879540202	UUIXXQLWZMJNSM-UHFFFAOYSA-N	323.324	1.608	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)C(=O)NCc2ccc(Cl)cc2)CCO1	773207733	JKYCFMRXFBCAMS-SNVBAGLBSA-N	323.780	1.627	50	20	DDGD	
COc1cccnc1NC(=O)NNC(=O)c1ccc(C#N)cc1	771791403	KRDMZLVEVJYOOK-UHFFFAOYSA-N	311.301	1.428	50	20	DDGD	
CC1(C)CCC[C@H]1C(=O)NNc1nccc(N2CCOCC2)n1	776172752	FZHINMUZVULMON-LBPRGKRZSA-N	319.409	1.583	50	20	DDGD	
O=C(O)c1ccc2c(c1)CN(S(=O)(=O)CBr)C2	776685651	SAOHUJVDTGVCAD-UHFFFAOYSA-N	320.164	1.383	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1c(C)cc(C)cc1C	771934656	UWWJJKODLSCNLS-GFCCVEGCSA-N	306.362	1.715	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc(-c2ccc3c(c2)CCO3)no1	771383423	VVDZMJOBXLUCBZ-UHFFFAOYSA-N	316.317	1.193	50	20	DDGD	
Cn1c(=O)n(C)c2cc(OS(=O)(=O)CCCCl)ccc21	882209996	FQRJEPULNPRECW-UHFFFAOYSA-N	318.782	1.215	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)C2CCOCC2)CCCS1	883510873	ZBLXGSHMDJOKMA-CYBMUJFWSA-N	301.412	1.029	50	20	DDGD	
O=C1CCc2ccc(OS(=O)(=O)CCCCl)cc2N1	882102169	KEEDBTDEWLVRER-UHFFFAOYSA-N	303.767	1.909	50	20	DDGD	
C[C@@H]1CCC[C@H](CC(=O)NNc2nc(O)c3cnn(C)c3n2)C1	770979043	CDXRTDOFONBPKJ-ZJUUUORDSA-N	318.381	1.728	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cnnn1-c1cccc(F)c1	789897486	JFPMHPIAEHQLEG-UHFFFAOYSA-N	305.313	1.214	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)c3cccn32)o1	788757817	IZFSBIMYDBKRDM-LLVKDONJSA-N	301.302	1.368	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)c1cccnn1)C1CCCC1	883530948	ALHOPZVGUMDCFC-UHFFFAOYSA-N	305.382	1.637	50	20	DDGD	
C[C@@H](Sc1nncn1C)C(=O)NNc1ccc(F)c(F)c1	885110494	FWYWSOWKEHBZJH-SSDOTTSWSA-N	313.333	1.717	50	20	DDGD	
Cn1cc(-c2n[nH]cc2C(=O)NNc2ccc(F)cc2F)cn1	780952452	WEJKQKVSWOIWFF-UHFFFAOYSA-N	318.287	1.845	50	20	DDGD	
Cc1ccc(C(F)(F)C(=O)NNc2nccn(C)c2=O)cc1	780606434	UCAUDXVPFGZTAD-UHFFFAOYSA-N	308.288	1.324	50	20	DDGD	
O=C(NC[C@H]1CCC=CO1)NNC(=O)c1cc2c(s1)CCC2	780734871	JHCSBKYNGTYKSA-LLVKDONJSA-N	321.402	1.874	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccc(C(=O)OC)c(C)c1	899335391	BJHJJSXKUHNGIQ-LCYFTJDESA-N	303.314	1.878	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CCc1ccc(C(N)=O)cc1	899997277	NUNTVPRQXGROBU-UHFFFAOYSA-N	322.434	1.012	50	20	DDGD	
O=C1CC[C@@H]2[C@H]1[C@H]2C(=O)NNc1ccc(-c2ccccc2)nn1	896283716	SFTDGURRQUTDLS-LYRGGWFBSA-N	308.341	1.812	50	20	DDGD	
CC(CCCCN(C)C)=NNC(=O)c1ccnc(N(C)C)c1	781126171	AVRNKUWYJUBWAL-UHFFFAOYSA-N	305.426	1.985	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)C2(C(C)C)COC2)n1	896669005	OZMHTTOUJAKNIX-UHFFFAOYSA-N	307.398	1.439	50	20	DDGD	
C=C(CBr)COC(=O)CC(=O)NCC(F)(F)F	795587091	GUTPJIHNCIFVKI-UHFFFAOYSA-N	318.089	1.549	50	20	DDGD	
COc1ccc(C(=O)NNc2cccc(F)c2)cc1OCCO	798334894	VZJWDCGXDUPPDT-UHFFFAOYSA-N	320.320	1.962	50	20	DDGD	
Cc1cccnc1NNC(=O)CNC(=O)c1ccc(F)c(F)c1	791224182	BYZGOBKFKMSURI-UHFFFAOYSA-N	320.299	1.541	50	20	DDGD	
CNC(=O)[C@H]1CCCN(C[C@H](CBr)C2CC2)C1	701842147	BHLQNHCIEKLNEO-RYUDHWBXSA-N	303.244	1.866	50	20	DDGD	
CC(=O)N1CCC[C@H](CNC(=O)NNC(=O)CC(C)(C)C)C1	793211569	BDRCSTNMPAPORJ-GFCCVEGCSA-N	312.414	1.012	50	20	DDGD	
COCc1cc(C=NNC(=O)COc2ccc(C#N)cc2)no1	794864327	MKWSFLXSCWLQID-UHFFFAOYSA-N	314.301	1.222	50	20	DDGD	
CC(C)[C@@H](O)C(=O)NNC(=O)c1cc(-c2ccccc2)on1	794894914	MMJLKGKCBAOIES-CYBMUJFWSA-N	303.318	1.120	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H]1CCN(C)C(=O)C1	793928609	HYDQZBJFUIDPEU-LLVKDONJSA-N	312.801	1.089	50	20	DDGD	
COc1cccc(C2=NO[C@@H](C(=O)NNC(=O)C3CCC3)C2)c1	792167468	SHRLQUAAJPDVIT-CQSZACIVSA-N	317.345	1.136	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1ccccc1-n1ccnn1	794903376	HEPMOMWGFJYCIY-UHFFFAOYSA-N	314.349	1.033	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1c(Cl)nc(Cl)n1C	794957821	HWAJFHWBKMNXIV-GQCTYLIASA-N	309.178	1.483	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1cccc(C)n1)C1CCOCC1	793074637	TYXVZKJLBPQORJ-CYBMUJFWSA-N	320.393	1.539	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@@H]1CC(c2cccnc2)=NO1	790950763	SXAVGCDHDRFSGL-NSHDSACASA-N	318.724	1.161	50	20	DDGD	
CCc1nn(C)c(CC)c1S(=O)(=O)NCCSSC	790349563	TWTCPKWRKMOQTN-UHFFFAOYSA-N	323.509	1.834	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNc2nncc(N)c2Cl)c1	1319801044	NURSCXZECIAYFY-UHFFFAOYSA-N	321.768	1.851	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1ccc(C(C)(C)C)nn1	1318586139	QCWVVTRTKZFTRA-UHFFFAOYSA-N	309.370	1.353	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NC/C=C\C1CC1	1325007502	IWMDUHLBLKVBRH-DOGVGXBMSA-N	321.352	1.890	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2csc3cncn23)cc1	1323381880	DSSRPJCVQOOYAJ-UHFFFAOYSA-N	316.342	1.479	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1cccc(C(=O)OC)c1	1323857715	PUXUAGHEBUANBM-PTNGSMBKSA-N	316.357	1.923	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)c1	1328803577	FYFINXLXEUBTBR-VXGBXAGGSA-N	323.418	1.769	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccc2c(c1)oc1ccccc12	1322873243	SMNFOZRHLLVVLX-UHFFFAOYSA-N	311.341	1.909	50	20	DDGD	
C=CCCN(C)c1nnnn1C[C@@]1(C)C[C@H]1Br	1336186818	NHZAXYBAQXWDNK-MWLCHTKSSA-N	300.204	1.859	50	20	DDGD	
CO[C@H]1CCC[C@H]1C(=O)NNc1ccc(C(F)(F)F)nn1	1337149119	XCNZMFZXNLCREI-SFYZADRCSA-N	304.272	1.754	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2[C@@H](C)C2(F)F)c([N+](=O)[O-])c1	1263767898	IIDIXOPLPTYRPZ-LDWIPMOCSA-N	301.249	1.948	50	20	DDGD	
Cc1ccncc1NC(=O)C(=O)NNc1cccc(C(=O)O)c1	1600606591	JZXOSVFLXATAJJ-UHFFFAOYSA-N	314.301	1.170	50	20	DDGD	
O=C(O)COc1ccc(NC(=O)NNc2ncccn2)cc1	1608762078	TUUBTVZYHAPUKZ-UHFFFAOYSA-N	303.278	1.089	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@H](Cc1ccc(F)cc1)C(=O)O	1605504013	QOLYIPCTBIIONE-PRWOLLLXSA-N	306.293	1.382	50	20	DDGD	
O=C(O)[C@H](C(=O)NNc1nnc(-c2ccccn2)s1)C1CC1	1605901322	PFXOOUJWWQUJEQ-VIFPVBQESA-N	319.346	1.154	50	20	DDGD	
Cc1cncc(CNC(=O)NNc2ccc(CC(=O)O)cc2)c1	1600627283	IBAWHENSKWYDPU-UHFFFAOYSA-N	314.345	1.843	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)Cn1cc(C(=O)O)nn1	1607841374	JSMCWOZHOMROTL-UHFFFAOYSA-N	317.349	1.551	50	20	DDGD	
Cc1noc(C(F)F)c1C(=O)NNc1ccc(C(=O)O)cn1	1600804789	NTDLHMKCGFQEIY-UHFFFAOYSA-N	312.232	1.771	50	20	DDGD	
CCc1oc(C=NNC(=O)c2ccc(O)c(O)c2)cc1C(=O)O	1605889151	FJVDGTMJYYWJCG-UHFFFAOYSA-N	318.285	1.715	50	20	DDGD	
C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cl)CC)C2	1801002312	NBDRXCNJGPTSPZ-OPDFLTKYSA-N	314.813	1.170	50	20	DDGD	
CSSCCNS(=O)(=O)c1cncc(C(=O)O)c1	1610385946	LTGHJHQZLRPUAA-UHFFFAOYSA-N	308.406	1.069	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@]2(C)CCCC[C@H]2C(=O)O)cn1	1610601681	RSIXPDBPIPFQLX-ORLQFGKLSA-N	316.361	1.477	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)CC1(CN)CC1	1579315740	JKGIUWLQZUKUEU-UHFFFAOYSA-N	323.418	1.064	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)C1=NO[C@]2(CCCNC2)C1	1579614363	ZPSFKYZETBEUSN-OAHLLOKOSA-N	306.341	1.476	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)[C@]12C[C@H]1CCCN2	1580739514	HULBVFFPLNTKEQ-OQPBUACISA-N	310.741	1.833	50	20	DDGD	
O=Cc1ccc(-c2ccc(C(=O)NNC(=O)[C@H]3CCN3)cc2)cc1	1580858806	VCPFDTMVKQIFDJ-MRXNPFEDSA-N	323.352	1.289	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCOC2)C1	1846691942	OIQCCTMILOPALA-NWDGAFQWSA-N	314.813	1.244	50	20	DDGD	
CCOCCCCCC(=O)NNc1cccc(-c2nn[nH]n2)c1	1590809449	WBVSAQCTHODULE-UHFFFAOYSA-N	318.381	1.907	50	20	DDGD	
O=C(O)CCCC(=O)NNC(=O)c1cccc(OC(F)F)c1	1595027774	LOIBYKMHPCJANY-UHFFFAOYSA-N	316.260	1.304	50	20	DDGD	
CCOc1cc(-c2nn[nH]n2)ccc1OS(=O)(=O)CCl	1590825372	USFBJZLEDWRJSB-UHFFFAOYSA-N	318.742	1.170	50	20	DDGD	
CCOC(=O)N(C)CCCC(=O)NNc1ccccc1C(=O)O	1596639339	BZAPGNONXBZNLC-UHFFFAOYSA-N	323.349	1.696	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H]2C[C@@H]2F)C1	1845902611	HHKAAXIUVQDUEF-SRVKXCTJSA-N	316.804	1.955	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(-c2nn[nH]n2)c(F)c1	1590748549	JZGZORRJQZHSSC-FPLPWBNLSA-N	302.269	1.388	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC[C@@H](C(=O)O)C1)c1cc2c(s1)CCC2	1594782755	KAAQNWWMWLEKKV-VHSXEESVSA-N	322.386	1.499	50	20	DDGD	
CCC(=NNC(=O)C(=O)O)c1ccc(OC(F)(F)F)cc1	1594694200	QOSNIUAFKQKUIM-UHFFFAOYSA-N	304.224	1.900	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])Nc1cccnc1C(=O)O	1594782008	NQVZKCOIMBSDSG-UHFFFAOYSA-N	317.261	1.837	50	20	DDGD	
C[C@@H](CO)CCCNC(=O)NNc1ccc(C(=O)O)c(F)c1	1592758585	SWBACPMKGBJBSO-SECBINFHSA-N	313.329	1.559	50	20	DDGD	
CC(=NNC(=O)c1cnsn1)c1ccc(CC(=O)O)cc1	1776105146	PWWXRDRHPDFSBZ-UHFFFAOYSA-N	304.331	1.319	50	20	DDGD	
COC(=O)C1CCC(=NNC(=O)c2ccc(C(=O)O)cc2)CC1	1776100307	BCGXBEHPMLVVQM-UHFFFAOYSA-N	318.329	1.834	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC	1795107225	OYGWFRYEYGROHW-GFQSEFKGSA-N	316.829	1.394	50	20	DDGD	
CCNc1nc(C(=O)NNC(=O)Cc2ccccc2F)cs1	150988334	LTTRKNTZSIUIFD-UHFFFAOYSA-N	322.365	1.718	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)[C@]1(O)CCSC1	158954256	RFCBHPYNNSZQIE-NSHDSACASA-N	317.754	1.559	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1c([N+](=O)[O-])c(C)nn1C	160803490	HTCGJVJPGXLSMN-UHFFFAOYSA-N	307.285	1.841	50	20	DDGD	
CC(C)(C)C(=O)NCCC(=O)NNc1ccc([N+](=O)[O-])cc1	151194253	KCPKFBNSVBQTMX-UHFFFAOYSA-N	308.338	1.590	50	20	DDGD	
O=C(NNc1ncccn1)Nc1ccn(Cc2ccccc2)n1	157242040	CTEBOLWCBXUEAC-UHFFFAOYSA-N	309.333	1.870	50	20	DDGD	
COc1ccc(CCC(=O)NNc2ncnc3nc[nH]c23)cc1	156310614	XTQHFFCOIKJDPV-UHFFFAOYSA-N	312.333	1.437	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CC[C@]3(CCOC3)C2)cc(C#N)n1C	154943332	RTLCDDORTUCZRP-GQJZTYNYSA-N	324.384	1.751	50	20	DDGD	
CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)N2CC=C(C#N)CC2)C1	492722148	FWDDDTWCSDGKIB-CYBMUJFWSA-N	317.389	1.926	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(OC(C)C)c(OC)c1	7678994	LAXJWAVSMJYYHU-UHFFFAOYSA-N	323.418	1.777	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)OCC(=O)NC(C)C)cc(C#N)n1C	10956644	UYICTGYYCFGKJP-WLRTZDKTSA-N	314.345	1.180	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccc2ccccc2n1	171511775	OCKJZWHQBOLABJ-UHFFFAOYSA-N	306.325	1.634	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)Cc2ccncc2)c1	175785553	QTBQQUIVVFBGPU-UHFFFAOYSA-N	313.357	1.467	50	20	DDGD	
C[C@@H]1CCCN(C[C@@H](C)NC(=O)NNC(=O)c2ccccc2)C1	56785688	BGWPKIZQRASPRY-ZIAGYGMSSA-N	318.421	1.751	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)c1cc(C)no1	52936175	FVEBBHLGJZQUCM-UHFFFAOYSA-N	306.347	1.623	50	20	DDGD	
Cc1noc(-c2ccc(C(=O)NNC(=O)NCC3CC3)cc2)n1	68455590	BRQCAKDGWGOSCZ-UHFFFAOYSA-N	315.333	1.399	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cn1	114314178	DMMOJYLIOYGVMD-UHFFFAOYSA-N	311.345	1.388	50	20	DDGD	
CSCc1noc(CCC(=O)NNc2cc(C)ccn2)n1	179012877	XYCPHOBYOBPXSU-UHFFFAOYSA-N	307.379	1.712	50	20	DDGD	
C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1ccc(CCl)cc1	302491797	JDCQVRWSQCSMKO-HUTHGQBESA-N	309.840	1.471	50	20	DDGD	
CCC(CC)n1nc(C)cc1C(=O)NNC(=O)c1cccn1C	179593480	GNUUGAVGYQZVJW-UHFFFAOYSA-N	317.393	1.966	50	20	DDGD	
Cc1nn(C)c(C)c1CNC(=O)NNC(=O)c1ccccc1	173480296	NBVNZYJKPIOKIZ-UHFFFAOYSA-N	301.350	1.181	50	20	DDGD	
COCCC1(CNC(=O)NNC(=O)Cc2ccncc2)CCC1	124328335	DOYROYNVMJVPEX-UHFFFAOYSA-N	320.393	1.161	50	20	DDGD	
CCn1c(NNC(=O)c2ccc(C)cn2)nc2ccccc2c1=O	123251037	WJEACIXCCKIZNR-UHFFFAOYSA-N	323.356	1.877	50	20	DDGD	
CN(NC(=O)c1cnc(Cc2ccc(F)cc2)s1)C(N)=O	182660304	YGQNGNPIKCMUMS-UHFFFAOYSA-N	308.338	1.528	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H](O)c1ccccc1	39988789	CBTWFWSCGLTIIW-CQSZACIVSA-N	300.314	1.190	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)c1ccncc1	184520872	HRSHZSRZNKTGQS-OCCSQVGLSA-N	305.378	1.828	50	20	DDGD	
CCCCCN(CCO)CC(=O)NNC(=O)c1ccc(C)cc1	120104062	BLUYXHSBPCUBHW-UHFFFAOYSA-N	321.421	1.241	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccccc1Cl)C[C@@H](C)C#N	72580264	WFCGKBDFPFAJKU-NSHDSACASA-N	322.796	1.583	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCc1cccc2c1OCO2	184866309	DBZJEZSXVRWBDG-UHFFFAOYSA-N	315.329	1.148	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ncoc2C)c1C	129128530	SSVWMOYRNQYYIS-GFCCVEGCSA-N	317.345	1.828	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)CCC(=O)N2	183547309	XPGKHOOBXOKFEX-VIFPVBQESA-N	304.350	1.770	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NNc2ncc(F)cn2)C1	123259837	DHPMRBBHHQLHBX-GHMZBOCLSA-N	323.372	1.344	50	20	DDGD	
COCCCOc1ccc(C(=O)NNc2ncc(F)cn2)cc1	122489615	PBGRQDRGIKEPAP-UHFFFAOYSA-N	320.324	1.788	50	20	DDGD	
Cc1cccc(C(N)=O)c1NS(=O)(=O)CCCCCl	187577581	VAKQQUDDDGDSOE-UHFFFAOYSA-N	304.799	1.855	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)Cc1cncs1	188942527	XNNPEEJZYNZOOK-UHFFFAOYSA-N	305.359	1.050	50	20	DDGD	
CN1CCO[C@@H](C(=O)NNc2cc(C(F)(F)F)ccc2F)C1	128749875	QHHKBKIDIIGCEG-LLVKDONJSA-N	321.274	1.618	50	20	DDGD	
Cc1ccc(C)c(NC(=O)C(=O)NNC(=O)CC2CCCC2)c1	125851039	YFXPPPGPXXXHPD-UHFFFAOYSA-N	317.389	1.970	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc(-n2nnnc2C)c1	183716602	GOMXSALONMFLGT-VIFPVBQESA-N	317.353	1.170	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NNC(=O)c1cnn(C)c1	185675992	AJHJMWFWIRBOGJ-AAEUAGOBSA-N	308.382	1.167	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)C2C[C@@H](C)C[C@H](C)C2)n1	183447029	RVUJZPAVUQPTFC-QWRGUYRKSA-N	306.410	1.720	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1	33319579	JTWJVCFOPLYHQM-LWMSPQMPSA-N	308.334	1.036	50	20	DDGD	
Cc1cc(C)cc(-n2nc(C(=O)NN(C)C(N)=O)cc2C)c1	182649721	UOHIWPKMMNFOQA-UHFFFAOYSA-N	301.350	1.453	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCc1cn2ccccc2n1	43477578	MHGLWFKSIHTXSJ-UHFFFAOYSA-N	305.338	1.573	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1ccc(C(F)(F)F)cn1	132162091	GRPRKGNBEAVGKJ-UHFFFAOYSA-N	320.271	1.680	50	20	DDGD	
N#CC(C#N)=CNCc1cccc(N2CCCS2(=O)=O)c1	184834315	XWRKDRQMEWWTPU-UHFFFAOYSA-N	302.359	1.247	50	20	DDGD	
Cn1cc(C(=O)C(=O)NNc2ccccc2C(F)(F)F)cn1	195161708	QWPANAAWGOOSFG-UHFFFAOYSA-N	312.251	1.765	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)N[C@@H]1C[C@@H]1C1CCCCC1	83233793	QQZUKILRFQJVHT-HUUCEWRRSA-N	316.405	1.923	50	20	DDGD	
CC(=O)CCC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	193203312	HCOZVIDAGMQTCB-CYBMUJFWSA-N	306.362	1.587	50	20	DDGD	
O=C(NNC(=O)c1cnc([C@H]2CCCO2)s1)c1ccc[nH]1	89605233	QBSCGQYQQSIZKO-SECBINFHSA-N	306.347	1.398	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNC(=O)c1ccc(C)s1	87191271	PHBLUJSARAGNQQ-UHFFFAOYSA-N	311.407	1.466	50	20	DDGD	
CCCCN1C(=O)CC[C@H](C(=O)NN)[C@@H]1c1ccccc1OC	195519557	WBWRJLURKSFOOJ-BBRMVZONSA-N	319.405	1.765	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)Cc1ccc(F)c(F)c1	88281349	NEOUNTVGDJMOSD-UHFFFAOYSA-N	319.311	1.767	50	20	DDGD	
CCc1nnsc1C(=O)NNC(=O)c1ccc(C)cc1O	194265866	MUKILXARTQRNJE-UHFFFAOYSA-N	306.347	1.189	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1cnc2ccsc2c1	84460701	ZZQXTYPGNYUIEY-UHFFFAOYSA-N	313.404	1.652	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CSCc1ccc(Cl)cc1	190059600	PLFMJFODTSVLQT-UHFFFAOYSA-N	316.810	1.492	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H]1CC(c2cccc(F)c2)=NO1	194511819	LCSYFIHXARWMAC-GFCCVEGCSA-N	307.325	1.512	50	20	DDGD	
CCCc1ncc(C(=O)NNc2nc3ccccn3n2)s1	191905037	RWWSCUSFOJSNJP-UHFFFAOYSA-N	302.363	1.895	50	20	DDGD	
CC(C)CC(CC(C)C)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	147317732	ODVATAOSYQIXQM-GFCCVEGCSA-N	317.455	1.921	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)[C@H]1C[C@H]2CC[C@H]1C2	246626429	CKEHSRILBILUEN-MPPDQPJWSA-N	305.382	1.189	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)CCC3CCCC3)nc21	269315452	PPVISXKABHMWTR-UHFFFAOYSA-N	304.354	1.482	50	20	DDGD	
CC(C)CCCNC(=O)NNc1nc(O)c2cnn(C)c2n1	269291617	DEURWQGZQKLOSR-UHFFFAOYSA-N	307.358	1.131	50	20	DDGD	
C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)NNC(=O)NC1CCCC1	267030545	RQWDRUIWNXCTCZ-YVEFUNNKSA-N	319.405	1.814	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1Cc1ccc(F)cc1)C1CCC1	267011709	NJCMHLWRMKXXJF-OAHLLOKOSA-N	319.380	1.738	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccccc1CC(F)(F)F	274157479	DTKWMGXJAIPKRB-UHFFFAOYSA-N	319.239	1.117	50	20	DDGD	
CCO[C@@H]1C[C@H](NS(=O)(=O)CBr)C12CCC2	373295867	ISOKLBALIGUKFW-DTWKUNHWSA-N	312.229	1.606	50	20	DDGD	
O=C1COc2ncc(C(=O)NNc3ccc(F)cc3F)cc2N1	367503623	VDFRXBFEUGENAM-UHFFFAOYSA-N	320.255	1.448	50	20	DDGD	
COc1ccc2nc(NNC(=O)CS(C)(=O)=O)c(C)cc2c1	272540016	VCDBGBKEYZBNPX-UHFFFAOYSA-N	323.374	1.040	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C1(OC)CCC1	272820763	FDNXIERMECBDRD-UHFFFAOYSA-N	306.362	1.344	50	20	DDGD	
C=CCCCCNC(=O)NNc1nc(O)c2cnn(C)c2n1	274591830	INHXGLAKCNXXSC-UHFFFAOYSA-N	305.342	1.051	50	20	DDGD	
CNC(=O)NNC(=O)CC(C)(C)CC(=O)c1ccc(OC)cc1	273599989	VEQJIRNFZQAJPW-UHFFFAOYSA-N	321.377	1.645	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)Nc1ccc(F)cc1Cl	274093112	NNTUWIJYRHRLRN-UHFFFAOYSA-N	313.716	1.365	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1cccc(F)c1C	272583129	MOLKHPVUMPYSPB-SNVBAGLBSA-N	313.329	1.338	50	20	DDGD	
CCC(C)(C)N[C@H](C)C(=O)NNc1cc(Cl)nc(N)n1	274896709	FESYKDSEGNIUSM-SSDOTTSWSA-N	300.794	1.322	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccccc1CCN(C)C	275683864	QJGVJSDOHUVAMG-GFCCVEGCSA-N	306.410	1.990	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NNc1ccc([N+](=O)[O-])cc1C	288530167	CWICRNBPYRVBHD-UHFFFAOYSA-N	315.351	1.171	50	20	DDGD	
CSSCCNC(=O)C(=O)NCc1ccc(F)cc1	285640708	ILFMKVRWHBZKBD-UHFFFAOYSA-N	302.396	1.569	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H]1COCCN1CC)c1ccccc1	371421839	AVYIISKTCDDRDV-LSDHHAIUSA-N	319.405	1.048	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N2C[C@H](C)O[C@@H](C3CC3)C2)s1	280106194	BSJFJWMHTRAJSH-JOYOIKCWSA-N	323.418	1.910	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1	286237365	GISFZTKSRLHEME-UHFFFAOYSA-N	321.377	1.692	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CC(C)(C)O)cc1	280130044	ZBGBRXXJOFMVNX-LLVKDONJSA-N	324.377	1.161	50	20	DDGD	
CN(NC(=O)[C@H]1CC12CCS(=O)(=O)CC2)c1ccccc1	289156725	VXGWEFGTCRYCQI-CYBMUJFWSA-N	308.403	1.369	50	20	DDGD	
COCCN(C)NC(=O)c1cc(C(C)C)nc2onc(C)c12	288380976	IWTPTSLTOFSRIV-UHFFFAOYSA-N	306.366	1.878	50	20	DDGD	
CC(C)OCCC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	298362580	TWAODMJZONFAKZ-NSHDSACASA-N	312.341	1.556	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2ccc3c(n2)CCC3)O1	296829992	RUUXYRFSKXMYSC-CABZTGNLSA-N	304.350	1.291	50	20	DDGD	
COCCN(C)NC(=O)[C@H](C)Cc1cnc2ccccc2n1	297175167	UCELXHRJUSGGBC-GFCCVEGCSA-N	302.378	1.418	50	20	DDGD	
Cc1nc(Cl)ccc1NC(=O)NNC(=O)[C@@H]1CCCCO1	296958037	COHYLRKIIIEXQA-JTQLQIEISA-N	312.757	1.765	50	20	DDGD	
CCn1cc([C@@H](C)NC(=O)NNc2cccc(OC)n2)cn1	297244083	BFPVWKIZHVXNFK-SNVBAGLBSA-N	304.354	1.694	50	20	DDGD	
COCc1cnc(NC(=O)C(=O)NNc2ccccc2F)s1	806981460	UIXNPIMMFMVSQV-UHFFFAOYSA-N	324.337	1.510	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2ccc(F)cc2F)ccn1	806997175	HRKMKIFDOWRJDP-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)Cc1cnn(C)c1C	292207111	LFUBIMBAQKMLPX-UHFFFAOYSA-N	305.290	1.793	50	20	DDGD	
CN1CCO[C@H](C(=O)NNc2cc(Cl)ccc2[N+](=O)[O-])C1	296194568	TUEPEABKONBYIY-NSHDSACASA-N	314.729	1.022	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)CCOc2ccccc2F)O1	294226253	MNWMMKNOCLNJJC-GWCFXTLKSA-N	310.325	1.310	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@]1(CO)C[C@H]1c1ccccc1	292729937	PMLDOUNRQLETPS-OHZIQAAMSA-N	300.358	1.713	50	20	DDGD	
O=C(NCc1cccc([N+](=O)[O-])c1)NNc1cccc(F)n1	805010359	CAOWGCICFUHARE-UHFFFAOYSA-N	305.269	1.955	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1[nH]cnc1C(=O)c1ccccc1	806346994	VXPWCHAOVIVBRG-UHFFFAOYSA-N	314.345	1.448	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)[C@@H]2CCCO2)cc1OC	292541647	FCZCQXFYOFISAM-LBPRGKRZSA-N	323.349	1.426	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccnc(C(F)(F)F)c1	808376843	LLGNRQKZLUTIFY-UHFFFAOYSA-N	304.297	1.395	50	20	DDGD	
CC1(C)[C@H]2CC[C@@]1(C(=O)NNC(=O)Cc1ccncc1)C(=O)C2	295313163	OHELENCPEWYGEN-SJCJKPOMSA-N	315.373	1.167	50	20	DDGD	
Cc1[nH]ccc1C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802105598	XOMNZYLXTOGCSB-UHFFFAOYSA-N	302.290	1.518	50	20	DDGD	
O=C(NNC(=O)c1cc2n(n1)CCO2)c1ccc2ccccc2c1	810164746	NTGFBKZNNLHXIX-UHFFFAOYSA-N	322.324	1.504	50	20	DDGD	
Cn1ccc(C=NNC(=O)c2cc(Br)ccc2O)n1	814856856	BOYAXWQTVIAWMG-UHFFFAOYSA-N	323.150	1.652	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2c[nH]c(C(=O)O)c2)cc1	814743202	XZTOSBNITSEPOD-UHFFFAOYSA-N	301.302	1.550	50	20	DDGD	
Cc1ccc(Cl)c(O[C@@H](C)C(=O)NNc2cnnn2C)c1	816772437	YWLZRJMKYRLLJJ-VIFPVBQESA-N	309.757	1.688	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN(c2ccccc2F)C1)C1CCCC1	810097336	HBAVFBODANFLPM-ZDUSSCGKSA-N	319.380	1.990	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)[C@H](CO)NC(=O)C(C)C	813561005	RGHBJMREKOVWOB-ZDUSSCGKSA-N	307.394	1.134	50	20	DDGD	
CCCc1nc(C)c(CNC(=O)NNC(=O)CC(F)(F)F)o1	813862413	OIRBJEZDKBGQSY-UHFFFAOYSA-N	322.287	1.718	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)OC	811968232	FLJSLSHFRFXITA-ZZTKBFGJSA-N	323.437	1.958	50	20	DDGD	
COc1ccccc1C(=O)NN=C1CCCc2nc(N)ncc21	814843595	HZPXOZOSHFXAIA-UHFFFAOYSA-N	311.345	1.538	50	20	DDGD	
CSCc1cccnc1C(=O)NNC(=O)Cc1cccnc1	810348507	OQZKMVNHXQLPSV-UHFFFAOYSA-N	316.386	1.343	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Cc1cn(C)nc1C)c1ccccc1	823245083	ZIRSWCDYLZHVKK-HNNXBMFYSA-N	314.389	1.612	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)COc2ccccc2O)CC=CCC1	823180162	JDSGEKUGVGKKHQ-INIZCTEOSA-N	304.346	1.665	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccnc(-c2ccco2)c1	820936211	HWVYSSDRLAORFG-CQSZACIVSA-N	315.329	1.672	50	20	DDGD	
CCCC[C@@H]1CCCC1=NNC(=O)[C@@H]1CCS(=O)(=O)C1	727255329	HWTIJLFTFSEXGM-VXGBXAGGSA-N	300.424	1.884	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CC(=O)Nc2cnccc21	491162029	QFKWHQMJQQNLIS-GHXNOFRVSA-N	320.308	1.679	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@]1(C(=O)OC(C)(C)C)CC1(C)C	820710706	SSUSJMJTQGZBMX-INIZCTEOSA-N	312.410	1.938	50	20	DDGD	
Cc1ccn(CC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)n1	822196919	BMXJUHFGOOMDOY-UHFFFAOYSA-N	316.405	1.555	50	20	DDGD	
COC(=O)NNC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C	492329027	PJRKBXAMDJJMLW-IUCAKERBSA-N	301.343	1.019	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C)[C@@H]1CCCN(C(=O)OCC)C1	490905776	AQJQZPWBCQIPEK-UQYIDHONSA-N	323.393	1.804	50	20	DDGD	
COc1ccc(Br)c(NNC(=O)C(OC)OC)c1	823656497	MKVZQGYCTQTMRV-UHFFFAOYSA-N	319.155	1.520	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(F)c(F)cc1Br	823946605	LGTYUJWVNJWPPA-LURJTMIESA-N	323.137	1.685	50	20	DDGD	
CN1CCCC[C@H](C(=O)NNc2ncnc3ccsc23)C1=O	821026200	VNRMFZWJICUGFM-SECBINFHSA-N	319.390	1.393	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCc1cc(C(N)=O)no1	490843596	ONBPGPGLHNVQMI-BJMVGYQFSA-N	314.276	1.136	50	20	DDGD	
CC(C)C[C@@H]1COCCN1C(=O)/C(C#N)=C/c1cnn(C)c1	490979926	ZHWOMFMRJXGXFD-KEQVLUGWSA-N	302.378	1.601	50	20	DDGD	
CC1CCC(N(C(=O)c2cc(B(O)O)ccc2F)C2CC2)CC1	584939467	MNTSGNBTUCTUBZ-UHFFFAOYSA-N	319.185	1.689	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](NC(=O)/C(C#N)=C/c2ccc(F)cc2)C1	491133262	OVSZZCLZUYOWJZ-JDQQQQCXSA-N	302.305	1.800	50	20	DDGD	
Cc1cc(/C=C(\C#N)C(=O)NOCC(N)=O)c(C)n1CC(C)C	490814690	XCMIKXGLNGKOQN-MKMNVTDBSA-N	318.377	1.201	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1	823983351	RFCAPBDFLQOLDM-SECBINFHSA-N	308.769	1.688	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Cn1cc(C(=O)O)c2ccccc21	826754193	KQXXFZSLZARTBT-UHFFFAOYSA-N	317.345	1.533	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)c1	905104907	YYEHZRGHIZEWOZ-CYZMBNFOSA-N	303.387	1.538	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1CCC[C@H](C2CC2)C1	827199587	DQKUPPFLKHYEIO-SCUASFONSA-N	309.410	1.711	50	20	DDGD	
CNc1ccc(C(=O)NNc2cc(C)nc(C)n2)cc1[N+](=O)[O-]	736717266	YPCQECNKZXTTOF-UHFFFAOYSA-N	316.321	1.800	50	20	DDGD	
O=C(CC(F)(F)F)NN=Cc1ccc(-c2nn[nH]n2)s1	822934846	DETOOUCOBHQBMH-UHFFFAOYSA-N	304.257	1.331	50	20	DDGD	
CCCOc1ccccc1NC(=O)C(=O)NNC(=O)OCC	495366546	DWPUADKQUCLXPO-UHFFFAOYSA-N	309.322	1.191	50	20	DDGD	
COc1cccc(NNC(=O)C[C@@H](CNC(C)=O)CC(C)C)n1	828077054	HVQLZGAOVCWAMN-ZDUSSCGKSA-N	322.409	1.722	50	20	DDGD	
Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CC[C@@H](B(O)O)C1	585068363	BKIUZZVNFIDKOH-CQSZACIVSA-N	321.230	1.164	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCc3ccc(F)c(F)c32)cc1	585046125	RFWUVINSUDIVOR-AWEZNQCLSA-N	303.117	1.422	50	20	DDGD	
NC(=O)c1cccc(CCNC(=O)NNc2ccc(F)cn2)c1	731365579	KMYORMTYMVSLAO-UHFFFAOYSA-N	317.324	1.188	50	20	DDGD	
CC1(C)Cc2cccc(C=NNC(=O)CN3CCCC3=O)c2O1	737423076	NLFOOEGBVKPDJQ-UHFFFAOYSA-N	315.373	1.473	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)NC[C@H]2CC2(C)C)c1	732826061	NXPHOFLGZWHYOV-LLVKDONJSA-N	321.377	1.694	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)N2CCCC2)cc1-c1nn[nH]n1	737078065	YQFNKAQCWLVDNF-WQLSENKSSA-N	324.344	1.405	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)C[C@@H]1C[C@H]2CC[C@H]1O2	836217893	MIXWDPMRIJTIAM-ZLKJLUDKSA-N	322.336	1.310	50	20	DDGD	
CCN1C(=O)C(=NNC(=O)[C@H]2CCCCO2)c2cc(C)ccc21	834990072	YCKMLERIHZPZEB-CQSZACIVSA-N	315.373	1.751	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@]1(Cl)C[C@H]2CC[C@H]1O2	905054305	RWOFPIKJJWVYBW-XTWCZFFVSA-N	311.725	1.967	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)CC(F)(F)F)C(=O)c1ccccc1	732827469	HEPUNDNAYWRFKN-SECBINFHSA-N	316.279	1.995	50	20	DDGD	
CN(C)C(=O)C1(NS(=O)(=O)CCCCCl)CCCCC1	832073311	YZLGOOBOVJYYFC-UHFFFAOYSA-N	324.874	1.716	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@@H](CN1CCCC1)c1ccccc1	831868214	SNWDWKBUOFMQCS-KRWDZBQOSA-N	310.401	1.826	50	20	DDGD	
C[C@H](CNC(=O)NNc1ccc(F)cc1)CN1CCOCC1	739060181	YVPCZSNMMZPDIL-GFCCVEGCSA-N	310.373	1.420	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ccc(C(=O)O)c(F)c1	833148196	DCSMNCQVVWQAIM-UHFFFAOYSA-N	320.236	1.584	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc(Cl)nc1F	905344075	VWBZCIWRYLSICE-UHFFFAOYSA-N	304.778	1.782	50	20	DDGD	
CC[C@@H]1C[C@H]1CNC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	838665043	HHCUDDBHAMBPLY-UTUOFQBUSA-N	323.368	1.970	50	20	DDGD	
CC(C)(C(=O)NNc1ncccn1)c1ccc([N+](=O)[O-])cc1	739691798	ZYUFNKAKUWCXGE-UHFFFAOYSA-N	301.306	1.806	50	20	DDGD	
O=C(NN=Cc1cccc2ccccc12)[C@H]1CCS(=O)(=O)C1	730577485	ILEQFYCCJCJQTL-AWEZNQCLSA-N	316.382	1.725	50	20	DDGD	
O=C(NC[C@@H]1COCCO1)NNc1cc(F)c(F)cc1F	734659996	JAOHMJUYETWJRB-SSDOTTSWSA-N	305.256	1.145	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2ccc(C(=O)O)[nH]2)c(C)c1	832952258	VVIXDDBCHILHQW-UHFFFAOYSA-N	314.345	1.892	50	20	DDGD	
Cc1cccc(OCC(=O)NN[C@H](C(=O)O)c2ccccc2)c1	832972324	XVGOWFSMRSMQCL-INIZCTEOSA-N	314.341	1.821	50	20	DDGD	
CC(C)(C(=O)NNc1cc(Cl)nc(N)n1)N1CCCCC1	907309222	YDEHBNWDWLYLNI-UHFFFAOYSA-N	312.805	1.420	50	20	DDGD	
CCc1ccc([C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C2)cc1	584993561	WYSXUVCIHJFQIF-QGZVFWFLSA-N	323.201	1.559	50	20	DDGD	
O=C(c1ccc(OC(F)F)c(Cl)c1)N1CC[C@@H](B(O)O)C1	902551715	IMSYNSSGCFWEKG-MRVPVSSYSA-N	319.500	1.630	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)cc1Cl	833243639	VQWPKNHOWBXFKC-LBPRGKRZSA-N	307.737	1.542	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNC(=O)CNc1cccc(OC)c1	839482449	BZMRAHPSTSWFHK-ZDUSSCGKSA-N	309.366	1.070	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2C[C@]23CCOC3)cc1F	837057810	JERJJFRWXZHHKV-ABAIWWIYSA-N	308.309	1.482	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)COC(C)(C)CC)nc1C	837516978	KPQILKXIFFNFRP-UHFFFAOYSA-N	324.381	1.610	50	20	DDGD	
CCC[C@@H](CC(C)C)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	839226292	UCJVCTHVBMHLKL-UONOGXRCSA-N	318.483	1.941	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2cc(C)ccc2OC)n1	916600747	FLIUOMWULGRRJU-UHFFFAOYSA-N	317.349	1.629	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CC12CCOCC2	836191315	CKJLLLKSVJZKGA-CYBMUJFWSA-N	303.362	1.508	50	20	DDGD	
CC(C)CONC(=O)NNC(=O)c1cccc(OC(F)F)c1	749819890	ZSUYMIGQZVUWQF-UHFFFAOYSA-N	317.292	1.820	50	20	DDGD	
CC(C)N1CCN(CCCC(=O)NN[C@@H](C)C(F)(F)F)CC1	912899036	UAOPDIBWDMONEN-LBPRGKRZSA-N	324.391	1.364	50	20	DDGD	
CN(C)CC(=O)NN=CC(C)(C)CN(C)Cc1ccccc1	747630961	WQIPXNOMVOWEEN-UHFFFAOYSA-N	304.438	1.808	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](C(=O)OC(C)(C)C)C(C)C	843908585	AYOUEAUEAPEXBK-SNVBAGLBSA-N	324.381	1.542	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@H](c1c(F)cccc1Cl)N(C)C	910162800	KSJCBLCLEVJEPO-RNCFNFMXSA-N	317.792	1.426	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NNC(=O)[C@H]2CC[C@H](C)CC2)c1	846637599	CSNUOLGQQMUPJH-UMSPYCQHSA-N	318.377	1.627	50	20	DDGD	
CCSc1ccccc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843645379	HNWUGRVNAMRQAL-GHMZBOCLSA-N	308.403	1.985	50	20	DDGD	
Cc1occc1CNC(=O)NNC(=O)COc1ccccc1F	919780842	QVSCDMGUHGCRGR-UHFFFAOYSA-N	321.308	1.637	50	20	DDGD	
Cn1ccnc(NNC(=O)c2cc(-c3cccs3)on2)c1=O	747945447	HKFKWSZEUOXEQW-UHFFFAOYSA-N	317.330	1.254	50	20	DDGD	
CC[C@@H]1COC(C)(C)CN1[C@@H](C)C(=O)NNC(=O)CC(C)C	844384824	HTBDGOLKTCGBLM-QWHCGFSZSA-N	313.442	1.458	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ocnc2C)cc1C	747346066	UMSGISPSGUMBNE-UHFFFAOYSA-N	303.318	1.440	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1ccc(C#N)cc1	740763130	YNHLEAUWLLEOMG-UHFFFAOYSA-N	300.362	1.703	50	20	DDGD	
COc1ccc(NCC(=O)NN=Cc2cc(C)nn2C)cc1	841603487	LQDNKADRBXHESA-UHFFFAOYSA-N	301.350	1.299	50	20	DDGD	
CNC(=O)NN=C1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1	842525761	ZYSYASJHQIOSMD-GHMZBOCLSA-N	310.398	1.938	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@H]2C[C@@]23CCOC3)cc1	846378405	XHUPDHHBYATEOQ-CZUORRHYSA-N	304.346	1.272	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC(CO)(NCC(C)C)CC1	912589936	IIXDAHAIQCIRAZ-KAMYIIQDSA-N	309.410	1.029	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=S)NCC(F)(F)F)c1	746397992	NQNHSAWLTFXHKE-UHFFFAOYSA-N	320.340	1.424	50	20	DDGD	
O=C(CNc1ccccc1)NN=C1CCN(c2cnccn2)CC1	915937318	NSCFEKGOEZSZSS-UHFFFAOYSA-N	324.388	1.661	50	20	DDGD	
CC[C@@H](Cc1ccccc1)C(=O)NNC(=O)CN1CCCC1=O	913730764	IOYWMPUPVXLYQK-AWEZNQCLSA-N	317.389	1.025	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)N[C@H]1CCCNCC1	841979972	ZPUWRUOKJLMWSK-NSHDSACASA-N	322.434	1.323	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNc1ccc(Cl)nn1)C(=O)O	848587749	KWSJVKLTNMUSGX-ZETCQYMHSA-N	301.734	1.113	50	20	DDGD	
COc1ncnc(N)c1C=NNC(=O)c1ccc2ccccc2n1	747624754	URZYETQNRPRGGI-UHFFFAOYSA-N	322.328	1.380	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCc1cccc(F)c1F	843648969	SPYZLXZUOSRXFG-MWLCHTKSSA-N	312.316	1.470	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(F)c1F)[C@@H](C)S(C)(=O)=O	841408495	LMHJCMPYPXFGSZ-JGVFFNPUSA-N	306.334	1.477	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](OC(C)C)C1	844379253	ORHOMTWGBOKUKY-KGLIPLIRSA-N	313.442	1.458	50	20	DDGD	
CCOC(=O)CC(=O)NNc1cc(F)ccc1Br	840532792	XCCIWGJKHMABQU-UHFFFAOYSA-N	319.130	1.985	50	20	DDGD	
CCCNC(=O)NNC(=O)Cc1nc(-c2ccco2)oc1C	749584136	BWEGJXAJQKWLRU-UHFFFAOYSA-N	306.322	1.526	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccc(OC(F)F)c(F)c1	841058174	NRVMTUDNTZCQOT-UHFFFAOYSA-N	320.271	1.319	50	20	DDGD	
Cc1ccc(-c2n[nH]cc2C=NNC(=O)[C@H]2CCO[C@H]2C)o1	842555725	KVGDELJCFASSJG-JQWIXIFHSA-N	302.334	1.853	50	20	DDGD	
CN1C(=O)COc2ccc(C(=O)NNC(=O)OC(C)(C)C)cc21	858110626	FLDQFFXCJDZINK-UHFFFAOYSA-N	321.333	1.211	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCC(=O)NCC1CCC1	754545779	KZXSJQPPDMXSJH-RIYZIHGNSA-N	314.341	1.759	50	20	DDGD	
Cc1ccccc1C[C@@H](C)C(=O)NNC(=O)Cc1ccncc1	859830099	YTPCWBWMCGXLGO-CQSZACIVSA-N	311.385	1.959	50	20	DDGD	
CO[C@H](C(=O)NC[C@]1(C)C[C@@H]1Br)c1cnn(C)c1	857387811	NAMNBRWFCCFPHR-NHCYSSNCSA-N	316.199	1.397	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)CCCF	854213410	FTVPUDWGNNAGID-UHFFFAOYSA-N	306.341	1.496	50	20	DDGD	
NC(=O)[C@H](Cc1ccccc1)NNC(=O)c1cc2ccccc2o1	758147632	ZJUDQHSSTNTSRY-AWEZNQCLSA-N	323.352	1.764	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H]1CCCN(CC(F)(F)F)C1	921037841	AYZBVVLTPDBVFS-SECBINFHSA-N	310.320	1.001	50	20	DDGD	
Cc1c(C(=O)NNC(=O)OCC(F)(F)F)cnn1CC(C)C	856022212	UQSZZLPQMKJABV-UHFFFAOYSA-N	322.287	1.781	50	20	DDGD	
O=C(O)[C@@H]1CN(Cc2ccc(OCCCCl)cc2)CCO1	859807215	ZEXATVHRMOCLCZ-AWEZNQCLSA-N	313.781	1.980	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCSc1ccc(F)cc1	854929377	FRBWNYIEVJXPAX-UHFFFAOYSA-N	301.412	1.775	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2cc(F)ccc2F)[C@H]1OC	922068469	JLVWCGXLLORWOA-JHJVBQTASA-N	315.320	1.783	50	20	DDGD	
C=C(CBr)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	852169263	FMTBHFBQBOHZBF-JTQLQIEISA-N	323.256	1.656	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)c1	858362984	CZYCFKVQGUKPJM-NEPJUHHUSA-N	323.418	1.958	50	20	DDGD	
C/C=C(/C=C\C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)CC	855831899	LZWDAVMCRMQOOY-MNGIZWTHSA-N	323.437	1.989	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)NC2CCCCC2)c2ccccc21	858130483	NKWUGUWBAJCPCU-UHFFFAOYSA-N	315.377	1.850	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@H]2CCCCN(C)C2)o1	858768835	YBFFEUPKUFZNAG-LBPRGKRZSA-N	308.382	1.264	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2(C#N)CCOCC2)c1C	855626944	DMBDTWZCLOECKY-UHFFFAOYSA-N	317.345	1.545	50	20	DDGD	
Cc1noc(C2CC2)c1C(=O)NNC(=O)OCC(F)(F)F	856022495	DOBOFKLHCFPJMH-UHFFFAOYSA-N	307.228	1.794	50	20	DDGD	
C/C=C/C(=O)NNC(=O)CCCCCNC(=O)OC(C)(C)C	855861015	LXXCCADMDLLPBJ-WEVVVXLNSA-N	313.398	1.795	50	20	DDGD	
N#Cc1cccc(C(=O)NN=Cc2cc(O)ccc2[N+](=O)[O-])c1	751134274	WGUKZEUDGLCRSL-UHFFFAOYSA-N	310.269	1.936	50	20	DDGD	
CCn1c(NNC(=O)C2CC(F)(F)C2)nc2ccccc2c1=O	753576743	GRFBWZZWXHTHBB-UHFFFAOYSA-N	322.315	1.905	50	20	DDGD	
CC(C)n1ccnc1C=NNC(=O)c1ccc2c(c1)OCO2	853261229	GVLMPTKJWMCWDV-UHFFFAOYSA-N	300.318	1.957	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)C[C@H](OC)C2	758056516	MUSVWUOZBXZEQX-IINYFYTJSA-N	305.378	1.999	50	20	DDGD	
CC(C)N1CC(=NNC(=O)c2ccnc(N(C)C)c2)[C@H](C)C1	754260961	SZHDJIAHDABHAG-GFCCVEGCSA-N	303.410	1.594	50	20	DDGD	
C[C@@H](CC(=O)NNCC(F)(F)C(F)(F)F)n1ccnc1	863102620	PXUURSJPOUVWPT-ZETCQYMHSA-N	300.231	1.653	50	20	DDGD	
O=C(NNC(=O)c1cnn(CC2CC2)c1)NC1CCCCC1	864461013	LPCUAZMOVSNJSS-UHFFFAOYSA-N	305.382	1.570	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)NC1(C(F)(F)F)CCCCC1	933420780	RUBAZGISNLYUDC-UHFFFAOYSA-N	319.287	1.619	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(F)c2occc12	930733653	XJDRUOCHCKMKLG-UHFFFAOYSA-N	309.297	1.552	50	20	DDGD	
C[C@]1(CNC(=O)/C=C\CN2CCOCC2)C[C@@H]1Br	869357027	NTJQPJIBYVKHHP-FXWKMLGCSA-N	317.227	1.165	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2ccccc2Br)N1	863145856	NNFIJZHZYWNUBW-SNVBAGLBSA-N	310.151	1.178	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cc1ccc(F)c(Cl)c1	862096136	SWJUZAAOVVADBN-PSASIEDQSA-N	314.744	1.594	50	20	DDGD	
COCc1cccc(NC(=O)NNc2nccnc2OC)c1	764613794	DCPIXQDETMWENW-UHFFFAOYSA-N	303.322	1.780	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=O)c1ccc(OC)c(OC)c1	767047002	PDHSXCMGGRTGFK-UHFFFAOYSA-N	304.346	1.514	50	20	DDGD	
CC(C)C(Cc1ccc(F)cc1)=NNC(=O)CS(C)(=O)=O	863189242	FMHGACOEQCTDCM-UHFFFAOYSA-N	314.382	1.541	50	20	DDGD	
CCNC(=O)NC1(C(=O)NNc2cccc(C)n2)CCCC1	862524016	ROZAMFQOCWUGDH-UHFFFAOYSA-N	305.382	1.465	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cc(Br)cn2ccnc12	864443969	POOLAJYUPOUUGK-UHFFFAOYSA-N	323.150	1.268	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](C)[C@@H]2CCC(=O)N2)c1C	862185170	VNUWJESPNZSIOS-PWSUYJOCSA-N	319.361	1.139	50	20	DDGD	
CN(C)C(=O)Nc1cccc(NCc2ccccc2B(O)O)c1	864038158	GXPMFTUUARCMPT-UHFFFAOYSA-N	313.166	1.072	50	20	DDGD	
C[C@@H](NNC(=O)c1coc(-c2cccnc2)n1)C(F)(F)F	862323523	WDBWVYFQCKIJPK-SSDOTTSWSA-N	300.240	1.922	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(C)c(NC(C)=O)c1	764461265	WWHWARCFAMWCFJ-UHFFFAOYSA-N	315.333	1.509	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12	762963066	WEJVTGUCAXZUIC-UHFFFAOYSA-N	319.321	1.820	50	20	DDGD	
Cc1ccc(C)c(NC(=O)C(=O)NNC(=O)CC(F)(F)F)c1	764116073	JSXYRWSIJUBSMM-UHFFFAOYSA-N	317.267	1.342	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNCC(F)(F)C(F)(F)F)CC1=O	863102062	TXUYWLDSACKYQY-ZETCQYMHSA-N	317.258	1.063	50	20	DDGD	
C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NNc1ccn(C)n1	1116836769	INHNPPNGSRXJLZ-SNVBAGLBSA-N	311.386	1.366	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H](C)c2c(C)n[nH]c2C)c1	862476164	KQQUHPFBHWKTCA-MRVPVSSYSA-N	306.391	1.961	50	20	DDGD	
CCOCCNC(=O)COC(=O)[C@@H](Br)C(C)(C)C	766749806	DVYGMFDGFHMCFU-SNVBAGLBSA-N	324.215	1.492	50	20	DDGD	
Cc1ccc(Br)c(F)c1C=NNC(=O)CCO	1119072735	OLTAXZXBBBUAQS-UHFFFAOYSA-N	303.131	1.729	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)c2coc(S(N)(=O)=O)c2)c1	765008652	MFQLYOKACOHWLE-UHFFFAOYSA-N	309.347	1.301	50	20	DDGD	
CC(C)(C)OCc1ccc(NC(=O)NNC(=O)CCO)cc1	1116611153	UXGRCJBEYWTBKY-UHFFFAOYSA-N	309.366	1.537	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)CO[C@@H]2CCOC2)cc1C	1117697806	RDJZGMDPPBQNCO-CYBMUJFWSA-N	322.361	1.420	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](C)CN1C[C@@H](C)C[C@@H](C)C1	875146149	RSNVOVZXYYHHNM-GRYCIOLGSA-N	300.403	1.265	50	20	DDGD	
CS(C)(=O)=Nc1ccccc1NC(=O)NNC(=O)CC1CC1	879809254	IZIRWVLDLOXMSH-UHFFFAOYSA-N	324.406	1.999	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)C[C@H]2CCCC(=O)N2)cc1	1117961377	UMCIQLAEBPRMBF-CYBMUJFWSA-N	303.362	1.860	50	20	DDGD	
C[S@@](=O)c1cccc(C(=O)NNc2nccnc2Cl)c1	771735642	ROPIKVSLNDTGCS-HXUWFJFHSA-N	310.766	1.624	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@@H]1CC(=O)N(C2CCCCC2)C1	772547069	JGJDQZIMDAJZGR-GFCCVEGCSA-N	322.409	1.051	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2ccccc2F)cn1	871130612	ADDBKSGRVHLFGV-UHFFFAOYSA-N	317.276	1.082	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1[nH]nnc1C	873853214	AKNLFAHWOXQPFZ-UHFFFAOYSA-N	318.406	1.615	50	20	DDGD	
CCC(CC)n1ccc(C(=O)NNc2ccnc(N(C)C)n2)n1	771023246	RTWRSSMMZUDAER-UHFFFAOYSA-N	317.397	1.857	50	20	DDGD	
Cc1cc(=NNC(=O)NCCCN2CCCCCC2=O)cc[nH]1	875006053	DKQOUJUFUVDEDZ-UHFFFAOYSA-N	319.409	1.231	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cccc(OC[C@H]2CCCO2)c1	878204793	YMLFXACWJIPOFZ-CYBMUJFWSA-N	323.349	1.979	50	20	DDGD	
Cc1n[nH]cc1C1CCN(S(=O)(=O)CCCCl)CC1	882169013	MXUGVHIQTPWDHW-UHFFFAOYSA-N	305.831	1.856	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCC[C@H](CF)C1	880237321	VCDWLGICRPEDIU-CQSZACIVSA-N	321.396	1.366	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNc1ncc(F)cc1F	880249532	CYXUDWNZBCOJQW-JMCQJSRRSA-N	307.304	1.892	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)Cn1cnc2ccccc21	770597913	SADGLJAWYOHFIX-UHFFFAOYSA-N	310.361	1.483	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)c1ccncn1	779378371	JENUJLLDSDJQQV-UHFFFAOYSA-N	306.325	1.634	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cc2nn[nH]c2cc1F	772854560	UWGSRPAROOBNJN-UHFFFAOYSA-N	315.312	1.767	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2cccc(Br)c2)C1=O	773454547	HTAMHOMCFBNDFX-SNVBAGLBSA-N	312.167	1.371	50	20	DDGD	
CCc1c(C(=O)NNc2cccc(C(=O)OC)c2)cnn1C	780796108	KZQPCIYNHDDTAG-UHFFFAOYSA-N	302.334	1.526	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2[nH]nc(C(F)(F)F)c2C)n1	1120543909	LDANUIHBKHWRPP-UHFFFAOYSA-N	314.271	1.901	50	20	DDGD	
CNC(=O)c1cccc(CCNS(=O)(=O)CCCCl)c1	881926282	AKVNJHREMRXUOY-UHFFFAOYSA-N	318.826	1.137	50	20	DDGD	
C#CCCCC(=O)NNC(=O)/C=C/c1ccc2c(c1)OCO2	887139131	BWDTZBSQJAAASD-VQHVLOKHSA-N	300.314	1.379	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cnn(Cc2ccccc2)c1C	887142136	XIJJDLQRCFUTFX-UHFFFAOYSA-N	324.384	1.804	50	20	DDGD	
CC[C@@H]1CCCCN1CCNC(=O)NNc1ccc(C#N)cn1	888312904	QJPRAEJZURUKFC-CQSZACIVSA-N	316.409	1.844	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cccc(C)c2C#N)cc1	783034532	BIMKVBBPBVABLN-UHFFFAOYSA-N	324.340	1.957	50	20	DDGD	
O=C(C[C@@H]1CCCC(=O)N1)NNc1c(F)cc(F)cc1F	885153553	LFSRROGNMNIFNX-QMMMGPOBSA-N	301.268	1.606	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1n[nH]c2c(OC)cccc12	887149141	KVJGVZBHGROYJY-UHFFFAOYSA-N	300.318	1.136	50	20	DDGD	
COC(=O)[C@@H](C)Oc1ccccc1/C=C(/C#N)S(C)(=O)=O	899343524	ZPOSIIXNQSERSY-BKLZJWBFSA-N	309.343	1.536	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc(Cl)c1C	787080983	VVEIKVCKHSIGMI-SECBINFHSA-N	312.753	1.751	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2	785408740	VNQICLYHZXRVSW-LURQLKTLSA-N	309.288	1.081	50	20	DDGD	
COc1cc(C(=O)NNc2ccnc(F)c2)cc(OC)c1O	781437367	SVUJCLZCNOOHOS-UHFFFAOYSA-N	307.281	1.700	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=CCC1CCOCC1	788712739	MJBCUNMFWAXMAF-UHFFFAOYSA-N	309.391	1.397	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@H](C)[C@H](O)CC	899940250	INRSUXJJZSJARS-VXGBXAGGSA-N	324.377	1.019	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CO[C@@H](C)C2)c2ccccc2n1	784147583	YJPGIUCKFFJIOC-NWDGAFQWSA-N	313.357	1.729	50	20	DDGD	
O=C(CCc1cncnc1)NNC(=O)Cc1c[nH]c2ccccc12	794179920	GDEHGHDYORRSBV-UHFFFAOYSA-N	323.356	1.281	50	20	DDGD	
O=C(C[C@@H]1CCCOC1)NNC(=O)c1cc2c(s1)CCC2	792812295	QRLXLMWFURWLDA-JTQLQIEISA-N	308.403	1.815	50	20	DDGD	
O=C(NN=Cc1cn(-c2ccccc2)nn1)c1ccc(O)c(O)c1	794559506	YAHWMLFGIJTCOR-UHFFFAOYSA-N	323.312	1.442	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42	795112282	YVBCHADJUXVOCZ-DYUHTIDFSA-N	316.792	1.967	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cc(=O)c2ccc(F)cc2o1	795792898	PHYUIMLBOICUDC-UHFFFAOYSA-N	307.281	1.285	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CCOC[C@@H]2C)cc1C	794481043	BYVRQENTXMHMRV-LBPRGKRZSA-N	303.362	1.771	50	20	DDGD	
Nc1cc(C(=O)NN=C2CCC23CCOCC3)cc([N+](=O)[O-])c1	799870481	NMQNPRHCRHKILH-UHFFFAOYSA-N	318.333	1.853	50	20	DDGD	
COc1cccc(C=NNC(=O)c2nnc(-c3ccccc3)o2)n1	790160226	YPWNVASQOGBJGY-UHFFFAOYSA-N	323.312	1.904	50	20	DDGD	
CC(C)(C)OC(=O)NCCC=NNC(=O)c1ccc(O)c(O)c1	794556382	YGWHJYYAKZQREW-UHFFFAOYSA-N	323.349	1.728	50	20	DDGD	
C[C@H]1CC(=NNC(=O)C[N+](C)(C)C)CN(Cc2ccccc2)C1	794454748	BDVUOGXHJKXRFM-HNNXBMFYSA-O	317.457	1.707	50	20	DDGD	
CN1CCN(C(=O)NN=C2CSCCc3ccccc32)CC1	790181237	JSMDSMYAORKIOE-UHFFFAOYSA-N	318.446	1.637	50	20	DDGD	
COc1cncc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)n1	790126493	VSGJLAZZCYRRPM-UHFFFAOYSA-N	320.736	1.142	50	20	DDGD	
COC(=O)[C@H](NNC(=O)c1cccc(C)n1)c1ccsc1	795467072	IHCQZSGKLAREPI-GFCCVEGCSA-N	305.359	1.600	50	20	DDGD	
Cc1ccoc1CN(C)CC(=O)NNC(=O)c1cccs1	795150308	AVUMEUIXDMZNGB-UHFFFAOYSA-N	307.375	1.543	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NNC(=O)c1cncn1-c1ccccc1	1319025469	MYLUOPZZDBMHJR-OCCSQVGLSA-N	314.345	1.058	50	20	DDGD	
CS/C=C\C(=O)NNC(=O)c1cncn1-c1ccccc1	1318978137	WYOBQNLGSMOXSR-FPLPWBNLSA-N	302.359	1.510	50	20	DDGD	
CCn1cc(NC(=O)NNC(=O)c2ccc(OC)cc2)cn1	1325351384	DMRFUHJROQIMFT-UHFFFAOYSA-N	303.322	1.378	50	20	DDGD	
C[C@@H]1CCCCN1C(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1328546840	FKPQLQJRRONYAS-BREBYQMCSA-N	317.227	1.677	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc2c(c1)CN(C(C)=O)C2	1321700827	GCCGDYGSOJWSRR-UHFFFAOYSA-N	319.365	1.247	50	20	DDGD	
CC(=NNC(=O)CC(F)(F)F)C1CCS(=O)(=O)CC1	1325855464	YIFYYPKXOYZNRP-UHFFFAOYSA-N	300.302	1.256	50	20	DDGD	
O=C(NNc1cccnn1)C(=O)Nc1cccc(-c2cnco2)c1	1320901835	UZNQWIULRAUHSL-UHFFFAOYSA-N	324.300	1.213	50	20	DDGD	
CN(C)[C@H]1CCCC[C@@H]1NC(=O)NNc1ncc(F)cc1F	1330848059	VFZDXOAERKNMRM-RYUDHWBXSA-N	313.352	1.859	50	20	DDGD	
CN(C)Cc1cc(C(=O)NNc2ccc(C(C)(C)C)nn2)no1	1337817541	WSUZPAOXFKCTNQ-UHFFFAOYSA-N	318.381	1.581	50	20	DDGD	
C[C@H]1CN(c2nnnn2C[C@@]2(C)C[C@H]2Br)CCO1	1335978090	TWINUYZVSZLNBF-IQJOONFLSA-N	316.203	1.072	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C[C@H]2CNc3ccccc32)n1	1339952873	UXCUIJTYSCWVHA-NSHDSACASA-N	313.361	1.836	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@]1(c2ccccc2)CCCO1	1335474233	CSSXBLACIZPXSY-OAHLLOKOSA-N	307.419	1.596	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@@H](CO)c1cc(F)ccc1F	1263082180	YYDLWPUKPKCTBO-NSHDSACASA-N	315.320	1.375	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)N[C@@H]1CCCNCC1	1345152514	CKEGYZRCQDLCQD-SNVBAGLBSA-N	310.785	1.426	50	20	DDGD	
CCCc1n[nH]cc1C(=O)NNC(=O)Cc1ccccc1F	1342876698	IHKFIEMSDWVNOD-UHFFFAOYSA-N	304.325	1.505	50	20	DDGD	
CO[C@H]1CC[C@@H](NC(=O)NNc2ccc([N+](=O)[O-])cc2F)C1	1350516663	QZIFDSBFVOYKSQ-SCZZXKLOSA-N	312.301	1.928	50	20	DDGD	
N#C/C(=C\c1cn(C[C@@H]2CCCO2)nn1)C(=O)C1CCOCC1	1351756174	JFWWTIIMCBAHQM-NRUITVPNSA-N	316.361	1.360	50	20	DDGD	
C[C@@H](NC(=O)NNc1c(F)cccc1Cl)c1nnnn1C	1351562727	CRAPADLDDDVEQH-ZCFIWIBFSA-N	313.724	1.390	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)c(F)c1)c1cn(C2CCC2)nn1	1601556213	CYTLFIKWKNLFAE-UHFFFAOYSA-N	319.296	1.597	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)cc1	1602127258	LIJNCLCSLMCBGU-DVLUHMITSA-N	315.373	1.984	50	20	DDGD	
Cc1ccnc(NNC(=O)c2cscc2-c2nn[nH]n2)c1	1605959415	ZDGXMVPDXPHBMI-UHFFFAOYSA-N	301.335	1.389	50	20	DDGD	
COCCCC(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1605085740	LLAHHLBSVNPDBM-UHFFFAOYSA-N	310.745	1.390	50	20	DDGD	
O=C(O)COc1cccc(C(=O)NNc2cc(Cl)ccn2)c1	1602091706	VTHLWYSYEHESOI-UHFFFAOYSA-N	321.720	1.955	50	20	DDGD	
C=CC[C@@H](NNC(=O)[C@H](C)Oc1cccc(Cl)c1)C(=O)O	1602843387	XXUQUTJSTQBRHB-JOYOIKCWSA-N	312.753	1.757	50	20	DDGD	
CCc1cnc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)s1	1549319075	GGJPTVRODUVSPC-CMPLNLGQSA-N	308.407	1.019	50	20	DDGD	
COCC(=O)N1CCC2(CCCN(C(=O)[C@@H](F)Cl)C2)CC1	1810901932	XDDQLXBWDOSGCU-GFCCVEGCSA-N	320.792	1.398	50	20	DDGD	
CO[C@H]1CN[C@](C)(C(=O)NNc2ccc3ccccc3n2)C1	1573960770	LHPFJYIKPXQNKL-WBMJQRKESA-N	300.362	1.445	50	20	DDGD	
CCCNNC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1	1577574687	NHASXHCYPWGWPY-CQSZACIVSA-N	305.378	1.818	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H]1C[C@H](C(=O)O)c2ccccc21	1588843145	AIFCUOLDHDEINO-STQMWFEESA-N	319.361	1.676	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2ccnn2C)C1	1842464793	NPILYRULXJZPID-NSHDSACASA-N	324.812	1.255	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1ccon1)C2	1845164222	SSZYVGDPYJXQFI-JTQLQIEISA-N	311.769	1.509	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCl)[C@H](Cc1ccccc1)C(=O)O	1593319379	NQFRFAZSDWMRNW-KOLCDFICSA-N	305.783	1.434	50	20	DDGD	
C[C@H](CBr)COC(=O)c1cc(C(=O)O)ccn1	1592210675	FSKVFYAFIHLKBC-SSDOTTSWSA-N	302.124	1.968	50	20	DDGD	
COc1ccc(O)cc1C(=O)NNc1cccc(C(=O)O)c1	1599599823	RODZVWRXIKWKLO-UHFFFAOYSA-N	302.286	1.856	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)C1(C2CCC2)CCC1	1593164391	FYOAUJHKSIRSDL-UHFFFAOYSA-N	313.365	1.675	50	20	DDGD	
CO[C@@H]1C(=NNC(=O)c2cccc(C(=O)O)c2)[C@H]2CCC[C@H]21	1776096735	PHPGYEMCJKBURO-SCRDCRAPSA-N	302.330	1.916	50	20	DDGD	
O=C(NN=Cc1cccc(C(=O)O)c1Cl)c1ccc(O)nn1	1776047983	XZANUGURNPOTOB-UHFFFAOYSA-N	320.692	1.298	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc(=O)[nH]c3ccccc23)n1	14512364	PYEAWLPUQLPELS-UHFFFAOYSA-N	309.329	1.692	50	20	DDGD	
COc1ccc(S(=O)(=O)N(C)C)cc1NC=C(C#N)C#N	15241094	PEPXRYMMWZZYIV-UHFFFAOYSA-N	306.347	1.288	50	20	DDGD	
CCc1n[nH]c(=O)c(C(=O)NNc2ccc(C)cc2)c1CC	158799053	PIDPIVPGXMCRDO-UHFFFAOYSA-N	300.362	1.960	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)NC2(C#N)CC2)c1C	151832459	GWSOBJHFRSDGTK-DHDCSXOGSA-N	312.373	1.831	50	20	DDGD	
BrC[C@@H](CN1CCN2CCOC[C@H]2C1)C1CC1	859252192	NCZUYOBTQVFQRR-QWHCGFSZSA-N	303.244	1.424	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C1(NC(=O)OC(C)(C)C)CC1	493513643	UKFRHHGBKDACCI-UHFFFAOYSA-N	315.370	1.600	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@H]1C[C@@]12CCOC2	862289947	JBCDWLPYYAFRMV-CZUORRHYSA-N	304.346	1.713	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(C)Cc1ccc(C#N)cc1	109829408	HXFPHJGFODHSBY-ZDUSSCGKSA-N	316.405	1.572	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(OC(F)F)cc1)C(=O)N(C)C	170682453	MXWZWGZOMRWQST-MRVPVSSYSA-N	316.308	1.391	50	20	DDGD	
Cc1cc(NNC(=O)c2cnc(-c3ccccc3)nc2)ncn1	172278717	LXHXSSNTNCGFNU-UHFFFAOYSA-N	306.329	1.999	50	20	DDGD	
CN1CCC[C@@H]1CNC(=O)NNC(=O)CCCc1ccccc1	170812637	AHYBRUDUFYSVLN-OAHLLOKOSA-N	318.421	1.434	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNC(=O)c1ccc(C#N)cc1	104342613	ZKQAUXAUHFOJIU-AWEZNQCLSA-N	300.362	1.194	50	20	DDGD	
COCC[C@@H](C)NC(=O)NNC(=O)c1cccc2ncccc12	106553526	DTWPHNNMOXZHFP-LLVKDONJSA-N	316.361	1.604	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CNC(=O)CC(C)(C)C)s1	62527000	UOUILSBBOITPBW-UHFFFAOYSA-N	311.407	1.370	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc(-c2ccccc2)on1	68027327	WMXYUGZOMHXHRC-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
Cc1nn(C)c(C)c1CCC(=O)NNc1ccc(Cl)nn1	118504446	FNEHFLDRSISLMM-UHFFFAOYSA-N	308.773	1.556	50	20	DDGD	
CN(C)C1(C(=O)NNC(=O)Cn2ccc3ccccc32)CCC1	119832327	ZOKMLULJEGGOTL-UHFFFAOYSA-N	314.389	1.273	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)Cc1cc(F)ccc1F	175103284	QFIBXVBBRRDDLZ-UHFFFAOYSA-N	319.311	1.767	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Nc2nc3c(s2)CCCC3)cn1	117952032	BJOJIXJHQHHXIA-UHFFFAOYSA-N	320.378	1.222	50	20	DDGD	
O=C(CCC(F)(F)F)NNC(=O)Cc1cn2ccccc2n1	173883578	LYRYCBMEMKUMMH-UHFFFAOYSA-N	314.267	1.367	50	20	DDGD	
CCOc1ccc(CCC(=O)NNC(=O)c2cnn(C)c2)cc1	117683179	UCSXBJMXVKAIJF-UHFFFAOYSA-N	316.361	1.213	50	20	DDGD	
COc1cccc(-c2cc(C(=O)NNc3cccnn3)[nH]n2)c1	177919779	JWRLPMOCNGOQNV-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
CCS(=O)(=O)CC(=O)NNc1ccc(Cl)cc1Cl	178874532	NBPZDKLSXGCOFQ-UHFFFAOYSA-N	311.190	1.871	50	20	DDGD	
C[S@@](=O)c1ccc(C(=O)NNC(=O)CC2CCCC2)cc1	175842493	XLKSATXASNBAHP-OAQYLSRUSA-N	308.403	1.765	50	20	DDGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)CO)c1C	178618544	MYMXMIPGXDTMTO-GTTBJYQFSA-N	319.405	1.716	50	20	DDGD	
CCSc1ccc(C(=O)NNC(=O)NCc2ccco2)cn1	171185934	QBUVCNSSJDZOHW-UHFFFAOYSA-N	320.374	1.931	50	20	DDGD	
CC[C@H](CC(=O)NNC(=O)c1cnn(C)c1)c1ccccc1	117682960	ZGTIZCMANNHIRT-GFCCVEGCSA-N	300.362	1.765	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NCC(F)(F)F	60411361	IEGJOVVVDKZHQM-UHFFFAOYSA-N	303.284	1.902	50	20	DDGD	
Cc1c(C(=O)NNc2ncc(F)cn2)c(=O)oc2ccccc12	122898779	FXOKRWDSDRGLGA-UHFFFAOYSA-N	314.276	1.787	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=S)NC(C)(C)C)c(F)c1	129265654	CHXRTKDBPSVRGP-UHFFFAOYSA-N	312.414	1.799	50	20	DDGD	
COc1cc(CNC(=O)NNC(=O)[C@@H]2CCCO2)ccc1C	65544123	GIECLIRKHAQCGG-LBPRGKRZSA-N	307.350	1.013	50	20	DDGD	
O=C(Cc1ccc(C(F)(F)F)cc1)NNC(=O)NC1CC1	64429136	IYIWRCPNBUKDJA-UHFFFAOYSA-N	301.268	1.741	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	184677291	SJHNHSXPVFXFHR-JGVFFNPUSA-N	302.252	1.985	50	20	DDGD	
CC[C@H](O)[C@@H]1CCCCN1CC(=O)NNC(=O)c1ccccc1	182328439	PXLRYACLAIDUOD-GJZGRUSLSA-N	319.405	1.073	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H]2CCC[C@@H]3OCC[C@H]23)n1	181456386	DJTGBNIJWVVYSJ-WOPDTQHZSA-N	306.366	1.674	50	20	DDGD	
CCCCn1nccc1NC(=O)C(=O)NNc1ccc(F)cc1	181360587	YJSHUYGYVMYULN-UHFFFAOYSA-N	319.340	1.904	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc[nH]n2)c(C)n1-c1ccccc1	79272952	FONAULJXXQMCOR-UHFFFAOYSA-N	323.356	1.892	50	20	DDGD	
CC(=O)c1cccc(O[C@H](C)C(=O)NNc2ncc(F)cn2)c1	123043019	DPJHQFLLVMBXJY-SNVBAGLBSA-N	318.308	1.729	50	20	DDGD	
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNc1ncccn1	123936495	GPDBWFUECYHBKY-VIFPVBQESA-N	319.752	1.392	50	20	DDGD	
CN(C)c1ccccc1NC(=O)C(=O)NNC(=O)CC(C)(C)C	126162621	FFLUEMWCKYHFII-UHFFFAOYSA-N	320.393	1.275	50	20	DDGD	
COC(=O)c1ccc(CCNC(=O)NNc2ccccn2)cc1	79091731	JIUWXPSKGIBIOI-UHFFFAOYSA-N	314.345	1.737	50	20	DDGD	
O=C(CNC(=O)c1cc2ccccc2[nH]1)NNc1ccncc1	180461234	ZGPHXOGPGBMFBL-UHFFFAOYSA-N	309.329	1.436	50	20	DDGD	
C#CCNC(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1	79264563	PBNJVNCPPNCEAB-LBPRGKRZSA-N	311.341	1.571	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCc2cccnc2)c1	73117848	HRERCYOGTDWRFD-UHFFFAOYSA-N	313.361	1.292	50	20	DDGD	
C[C@H](NC(=O)CC1CCCCC1)C(=O)NNc1cccnn1	77029721	XNWIDJYCPGPGRF-NSHDSACASA-N	305.382	1.395	50	20	DDGD	
Cc1cnc(C(=O)NNc2nnc(-c3ccccn3)s2)cn1	188234085	CAGOAWIAXBISCZ-UHFFFAOYSA-N	313.346	1.455	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1c(C)noc1C1CC1	129246312	IYKUTPJOTVHVQF-UHFFFAOYSA-N	304.310	1.808	50	20	DDGD	
O=C(Cc1ccccc1Br)NNc1cccnn1	77029424	COWPNZQBKGXBJH-UHFFFAOYSA-N	307.151	1.925	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1ccc2c(c1)CCO2	183665284	MOWBZEAPKCLBLD-UHFFFAOYSA-N	312.329	1.412	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)C(=O)NC1CC1)c1ccc(C)cc1	193184117	WUZGGVIFUZLJMO-CYBMUJFWSA-N	318.377	1.055	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)Nc2cnn(CC#N)c2)cc(C#N)n1C	139524784	RVWHFPAHGYYOAL-ACAGNQJTSA-N	319.328	1.471	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cc(-c2ccccc2)no1	194896769	POOPDAOCDMRBSN-UHFFFAOYSA-N	316.317	1.028	50	20	DDGD	
Cn1c(=O)n(CCC(=O)NNc2ccccc2)c2ccccc21	192753054	UOYXDIYHTPTVHZ-UHFFFAOYSA-N	310.357	1.873	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H](C)N1CCc2ccccc2C1	134686719	JPGAFAKUWHDTHV-CYBMUJFWSA-N	318.421	1.564	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCC(C)(C)N2CCCCC2)n1	49786568	QYWLWHJRTXRFKV-UHFFFAOYSA-N	320.441	1.984	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(Cl)ccc1Br	97714346	DSTATIFANVZRFJ-UHFFFAOYSA-N	306.547	1.676	50	20	DDGD	
CCCN1CC[C@H](CNC(=O)NNc2cccc(C#N)c2)C1	97257817	JVDORQHGCRDURR-CQSZACIVSA-N	301.394	1.916	50	20	DDGD	
CNC(=O)NNC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1	265659758	QMEKAQISTDTJSM-QMMMGPOBSA-N	303.284	1.844	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NNC(=O)C(C)(C)c1ccccc1	264652541	HBHSWWAOJRUZSL-UHFFFAOYSA-N	320.393	1.372	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)C(=O)OC(C)(C)C)o1	267839437	NCAICBJKYCKXBW-UHFFFAOYSA-N	311.338	1.216	50	20	DDGD	
COc1ccc(CCCNC(=O)NNC(=O)C2CCC2)cc1	264738168	OISLMWWFMDUFGY-UHFFFAOYSA-N	305.378	1.758	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)c1cnn(C)c1	266462906	DUTSHNJQOITHIC-SNVBAGLBSA-N	319.340	1.193	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CCC2)c2c(C)nn(C)c2n1	264830986	YZKHICJOXJADFS-UHFFFAOYSA-N	301.350	1.146	50	20	DDGD	
Cn1cc2c(n1)CCC[C@@H]2C(=O)NNc1ccccc1[N+](=O)[O-]	366972570	GOJPOTHBWCQHKC-JTQLQIEISA-N	315.333	1.892	50	20	DDGD	
O=C(CC[C@@H]1CCOC1)NNC(=O)c1ccc(Cl)cc1O	267603876	QOOAMNPJCNIPRG-SECBINFHSA-N	312.753	1.623	50	20	DDGD	
COc1cccc(NNC(=O)Cc2ccc(OC)c(OC)c2)n1	272551302	RGOQUHJIZCAYPH-UHFFFAOYSA-N	317.345	1.793	50	20	DDGD	
CO[C@H]1CCCC[C@@H]1NC(=O)NNc1nc2ccccn2n1	276907923	OMFKUSOWEFTZPV-QWRGUYRKSA-N	304.354	1.313	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cc(Br)ncc1Cl	275245887	GLTFFHGWCDUUPH-UHFFFAOYSA-N	318.558	1.669	50	20	DDGD	
COC(=O)c1ccc(CNS(=O)(=O)CCCCCl)o1	275425729	AUDDBNBOGSPQLR-UHFFFAOYSA-N	309.771	1.505	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cnc(OCc2ccccc2)cn1	277727407	HJFJOZUXAREKKP-UHFFFAOYSA-N	312.329	1.227	50	20	DDGD	
C=CCS(=O)(=O)CCNC(=O)NNc1c(C)cccc1F	274479085	BLJXBCAPBCVQIR-UHFFFAOYSA-N	315.370	1.361	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNC(=O)NCc1ccco1	273595546	TZCHORXGCSUALV-UHFFFAOYSA-N	303.322	1.085	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1ccc(Cl)nc1	274229310	QDVPILJZIMGWHT-UHFFFAOYSA-N	314.729	1.229	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CC[C@@H](C2CC2)C1	362684881	CAPATWQCQJNTKV-GFCCVEGCSA-N	303.362	1.782	50	20	DDGD	
Cc1c(C(F)(F)F)nn(C)c1NC(=O)NNC(=O)C(C)(C)C	276538426	OGPNWHQDOGTDBZ-UHFFFAOYSA-N	321.303	1.946	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)C[C@@H]3C=CCCC3)nc21	275385701	XFCVMAGHFDGTOX-SECBINFHSA-N	302.338	1.258	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@H](C)N)ccc1OCCC(C)C	272268590	ASIQTPXCNSBKKV-NSHDSACASA-N	323.393	1.228	50	20	DDGD	
COCCOCC(=O)NNc1nc2ccc(OC)cc2cc1C	272545957	VVZWRYOWBFLPMO-UHFFFAOYSA-N	319.361	1.658	50	20	DDGD	
COc1nccnc1NNC(=O)C[C@H](C)NC(=O)C1CCCC1	274065956	JHALHBKPLDJXTO-JTQLQIEISA-N	321.381	1.013	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C[C@@H](C)SC)nc1C	272157574	HERUYRSKLYLYFS-MRVPVSSYSA-N	312.395	1.546	50	20	DDGD	
CN1C(=O)C[C@H](C(=O)NNc2ncccc2F)c2ccccc21	375940124	FOXMKURGYWLAJG-NSHDSACASA-N	314.320	1.814	50	20	DDGD	
CN(C)C1(CNC(=O)NNC(=O)Cc2ccccc2F)CCC1	275452843	MCRIVIUMDDSSII-UHFFFAOYSA-N	322.384	1.183	50	20	DDGD	
COc1ccc(NNC(=O)NCCCNC(=O)C2CCC2)nc1	276039558	XHUYPVIDJFZGJA-UHFFFAOYSA-N	321.381	1.023	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)CC(C)C)c(OC)c1	275486707	QLBRLRIJBMNZGD-UHFFFAOYSA-N	323.349	1.681	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H](C)COCC(F)(F)F)nc1	276053814	ZDINUOJACCGHMW-MRVPVSSYSA-N	322.287	1.684	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1ocnc1C1CC1	289384388	QJROLXVNSFRVKR-UHFFFAOYSA-N	303.293	1.695	50	20	DDGD	
Cc1nn(C)c(C)c1CC(=O)NNc1nccnc1C1CCC1	287244257	QHNUAEYVFOCSIT-UHFFFAOYSA-N	314.393	1.780	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1cccc(N2CCC2=O)c1	280356887	BKSGYDSOKCPDOV-UHFFFAOYSA-N	302.334	1.376	50	20	DDGD	
Nc1nc(C2CCCC2)ncc1C(=O)NNc1ncncc1F	295286038	IWNHBODXXHLOKA-UHFFFAOYSA-N	317.328	1.402	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2nccnc2C2CCC2)[nH]1	294200430	XTWLFPMOKWQAAU-UHFFFAOYSA-N	315.333	1.616	50	20	DDGD	
O=C(NNc1cccc(F)n1)C(=O)Nc1cccc(Cl)n1	807392913	OMVMWUZLHURNSM-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ocnc2-c2ccccc2)O1	295595900	MNVMONOGEZCKIM-JQWIXIFHSA-N	315.329	1.670	50	20	DDGD	
O=C(NNC(=O)c1ocnc1C1CC1)c1ccc2c(c1)OCO2	809543750	UGNKOBLJELTPKA-UHFFFAOYSA-N	315.285	1.356	50	20	DDGD	
Cc1ccc2cc(C(=O)NNC(=O)[C@@H]3CC[C@H](C)O3)[nH]c2c1	293930932	OBRIWTKMSFMHFW-HZMBPMFUSA-N	301.346	1.805	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H]1CCCN1C1CCCC1	802027349	CQHVHHYBUIGGIP-AWEZNQCLSA-N	317.393	1.063	50	20	DDGD	
CCc1nn(C)c(CC)c1CC(=O)NNc1ncc(F)cc1F	297053231	VNXJYYTXDYNPMD-UHFFFAOYSA-N	323.347	1.904	50	20	DDGD	
C[C@@H](C(=O)NNc1nc2ccccc2c(=O)n1C)C(C)(F)F	294616202	DYFKZWLOOUOWQV-QMMMGPOBSA-N	310.304	1.668	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)[C@H]2CCCCO2)c(C)c1	295741283	NODMFNGAVJVSNO-OAHLLOKOSA-N	320.389	1.789	50	20	DDGD	
CCCn1cc(C(=O)NNc2nccnc2C2CCC2)nn1	805474664	CZFWBGHKIMCCNU-UHFFFAOYSA-N	301.354	1.503	50	20	DDGD	
Cc1nc2ccccc2c(C)c1C(=O)NNC(=O)[C@@H]1CCCO1	294545548	GVVZWSBZTBOTJG-AWEZNQCLSA-N	313.357	1.792	50	20	DDGD	
O=C(CSCc1ccccn1)NNC(=O)[C@@H]1CCCCO1	295279048	CLRPHIRGCQDHNF-LBPRGKRZSA-N	309.391	1.031	50	20	DDGD	
Cc1cccc(C)c1OCCNC(=O)NNC(=O)[C@@H]1CCCO1	291552733	AZPMHPFVYYAJIS-ZDUSSCGKSA-N	321.377	1.192	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2C[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)n1	296856850	LFWOHVSINSGKAR-XDQVBPFNSA-N	314.389	1.722	50	20	DDGD	
O=C(CNC(=O)c1cccc(F)c1)NNc1ncccc1F	804214160	VMYKKNDIYUBCQV-UHFFFAOYSA-N	306.272	1.233	50	20	DDGD	
Cc1ccccc1CCNC(=O)NNC(=O)[C@@H]1CCCCO1	296146672	JHEQBQYRGGIQTJ-AWEZNQCLSA-N	305.378	1.437	50	20	DDGD	
O=C(NNc1ncccc1F)[C@H]1CCCN1c1ncccn1	804214246	VIIDYJRPECIMSF-LLVKDONJSA-N	302.313	1.123	50	20	DDGD	
COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NNc2ccncn2)c1	295436429	JYRQMSIMVWBUDA-AAEUAGOBSA-N	314.345	1.741	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)CCCc2ccsc2)CC1	807382024	UDXGOVQLDZXXPW-UHFFFAOYSA-N	310.423	1.059	50	20	DDGD	
C[C@](O)(CC(=O)NNC(=O)Nc1ccc2c(c1)OCO2)C1CC1	802105980	NMEVXKFJEPMMQN-HNNXBMFYSA-N	321.333	1.119	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C1CCC1)[C@@H]1OCCc2sccc21	293276457	CNYQPDRVCDPAGR-RNCFNFMXSA-N	308.403	1.946	50	20	DDGD	
CO[C@@H](CS(=O)(=O)NNC(=O)C(C)(C)C)c1ccccc1	294923090	CLZWMUSQMJFGTI-LBPRGKRZSA-N	314.407	1.371	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)CC2CC2)nn1-c1ccccc1	294164077	NGBBCAWWHKKZJY-UHFFFAOYSA-N	313.361	1.391	50	20	DDGD	
CC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)c1cn(C)c(C)n1	800808374	RMSOMXDGEBKSGI-UHFFFAOYSA-N	316.321	1.373	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NNc1cccc(C#N)c1	819408678	BLYOBMWFLDCTIR-QWHCGFSZSA-N	316.361	1.915	50	20	DDGD	
O=C(CCCc1ncc(-c2ccccc2)o1)NNc1nc[nH]n1	816632867	CGOAKDNALYYBPE-UHFFFAOYSA-N	312.333	1.926	50	20	DDGD	
Cc1c(CC(=O)NNc2oc(C(C)C)nc2C#N)cnn1C	814669487	RDBAAODLZYNCAK-UHFFFAOYSA-N	302.338	1.397	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CC1CCN(C)CC1	813446713	IGBWLVHHLBDJOQ-UHFFFAOYSA-N	305.378	1.188	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1nnc2ccccc2n1	811325603	BLMMFLKVWZPJMI-UHFFFAOYSA-N	301.697	1.225	50	20	DDGD	
CC(Cn1cccn1)=NNC(=O)[C@@H](C)Oc1ccccc1F	814749068	VLTWKBPGCPWKHM-GFCCVEGCSA-N	304.325	1.982	50	20	DDGD	
CCc1nn(C)c(OC)c1C=NNC(=O)c1ccc(C)cc1O	814810820	IKSVRNFXUNYFJC-UHFFFAOYSA-N	316.361	1.769	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N2CC[C@@H]3OCC[C@@H]3C2)cc1	825814959	SKTOJZJJNPNEAU-KGLIPLIRSA-N	314.345	1.023	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@H](C)N(C(=O)OC(C)(C)C)C1CC1	823917024	CYUXSYMEMCUPCS-WDEREUQCSA-N	315.414	1.118	50	20	DDGD	
COc1cccc([C@H](OC)C(=O)NNC(=O)c2ccc(C)o2)c1	829831991	VNMPQXQPOIBJMY-AWEZNQCLSA-N	318.329	1.745	50	20	DDGD	
C[C@@H]1SCC[C@H]1NC(=O)NNc1ccc(-n2ccnc2)nn1	827650116	NNKQZNDLDYZHHG-VHSXEESVSA-N	319.394	1.182	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H]1Cc2ccccc2O1)C1CC1	727277275	KIMXYBSAIPHGLF-ZANVPECISA-N	305.403	1.284	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)[C@H]3CCN(C)C3)cc2C1	729282240	NDSVIMTYBLMUPI-QWRGUYRKSA-N	321.446	1.586	50	20	DDGD	
CCN1CCC(CNC(=O)NNc2cccc(C#N)c2)CC1	726280596	XAXLIBAAYCXPRU-UHFFFAOYSA-N	301.394	1.916	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCC[C@@H]2[C@@H]2CCCO2)cn1	491007667	GHVPYSOICYACCK-LPVIATNSSA-N	300.362	1.497	50	20	DDGD	
Cc1c(NC(=O)NNc2ccccn2)cccc1-c1nn[nH]n1	826241913	TWTGJFYDOYOZBY-UHFFFAOYSA-N	310.321	1.719	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)ccc1F	825547474	NDRGXKYLTGZQCW-PWSUYJOCSA-N	309.341	1.390	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CC=CCC1	822293427	YARCSMWKGIZLRA-KRWDZBQOSA-N	316.357	1.965	50	20	DDGD	
CCc1cccnc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	825728402	OJFIMVNEAIKEED-UHFFFAOYSA-N	309.333	1.581	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(-c2n[nH]c(C)n2)ccc1C	493358006	NKYWUCSJTRDFHX-UHFFFAOYSA-N	304.310	1.481	50	20	DDGD	
C#CCN(C1CCCCC1)[C@@H](C)C(=O)NNC(=O)CC(C)C	490866755	TWGZHNAGLQXXLI-AWEZNQCLSA-N	307.438	1.836	50	20	DDGD	
O=C(CCCOCCc1ccccc1)N1CC[C@H](B(O)O)C1	585078160	VTYNYYWOIWFUHF-HNNXBMFYSA-N	305.183	1.101	50	20	DDGD	
O=[N+]([O-])c1ccc(Br)cc1N1CC[C@H](B(O)O)C1	585073741	OOBBZRZOAAAPLM-ZETCQYMHSA-N	314.932	1.410	50	20	DDGD	
CCC(CC)[C@@H]1C[C@H](NCc2ccc(B(O)O)cc2F)CCO1	585034783	UDDGMWOBZUZNFC-WBVHZDCISA-N	323.217	1.579	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2SCCc3sccc32)nc(N)n1	828371203	HLBPDSCGGOGANL-LLVKDONJSA-N	321.431	1.902	50	20	DDGD	
Cc1nc(C)n(C2CN(C(=O)/C(C#N)=C/c3ccc(O)cc3)C2)n1	491131722	LPZLQLOWBZCUIG-VGOFMYFVSA-N	323.356	1.591	50	20	DDGD	
CS[C@@H]1CN(C(=O)[C@]2(C)C[C@H]2Br)C[C@H]1N(C)C	907146010	JBGYQSLQHIBKFG-DNRKLUKYSA-N	321.284	1.664	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1ccc([N+](=O)[O-])[nH]1	732111665	QPFWWKNCRBGOSO-UHFFFAOYSA-N	315.249	1.125	50	20	DDGD	
Cc1cc(C(F)(F)C(=O)NN(C)C[C@H](C)O)cnc1Cl	822556560	GXNZMECBQQWBLE-QMMMGPOBSA-N	307.728	1.479	50	20	DDGD	
OB(O)c1ccc(-c2noc(CC3CCSCC3)n2)cc1	585050789	KVQUFHCKDQPWHI-UHFFFAOYSA-N	304.180	1.102	50	20	DDGD	
CC(C)c1ocnc1C(=O)NNC(=O)Cc1ccc(F)cc1	731875351	YYTTZWGFKVMWGS-UHFFFAOYSA-N	305.309	1.941	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C[C@H]1CCOC1	739482625	ACJWMSPCHOMUKK-WDEREUQCSA-N	310.325	1.167	50	20	DDGD	
CC(=NNC(=O)C1CC1)[C@@H]1CN(Cc2ccccc2)CCO1	735609011	KHRYYERROBUCBA-INIZCTEOSA-N	301.390	1.790	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Cc1cccc2cccnc12	832876581	DQIHUAOJEKEAAH-UHFFFAOYSA-N	308.341	1.577	50	20	DDGD	
O=C(/C=C/c1cccc(O)c1)NNc1ccc(-n2ccnc2)nn1	492928027	WZIFMGYDKPOEPX-QPJJXVBHSA-N	322.328	1.524	50	20	DDGD	
CCn1cc(C(=O)NN(C)C(=S)NC)c(-c2ccccc2)n1	909994173	USBISRZPOKTXAB-UHFFFAOYSA-N	317.418	1.651	50	20	DDGD	
CN1C(=O)CC[C@H]1CC(=O)NNc1ccc(C(F)(F)F)cn1	832395475	KVXGPPJLKGLRKL-VIFPVBQESA-N	316.283	1.554	50	20	DDGD	
CO[C@H]1COCC[C@H]1CNC(=O)NNc1cc(Cl)ccn1	836575892	SXNLXWIWIHGGPT-ONGXEEELSA-N	314.773	1.413	50	20	DDGD	
O=C(CN1CCC[C@H](F)C1)NNC(=O)c1ccccc1Cl	902995028	AWVWUTPRSRFAPQ-JTQLQIEISA-N	313.760	1.535	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C[S@@](=O)c1ccc(Cl)cc1	900221042	INUWINWVFPGECM-HXUWFJFHSA-N	316.810	1.641	50	20	DDGD	
Cc1noc(C)c1CSc1ccccc1C(=O)NCB(O)O	585055474	BNSSFIYLFZUTAJ-UHFFFAOYSA-N	320.179	1.326	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNC(=O)Nc1ccccc1)C(C)(C)C	831933074	SNERNZLKTVVZOV-GFCCVEGCSA-N	306.366	1.390	50	20	DDGD	
CCCCOCC(=O)NNc1ccccc1S(C)(=O)=O	735685999	JAMHQWFUOCYSHT-UHFFFAOYSA-N	300.380	1.350	50	20	DDGD	
CCn1cc(C=NNC(=O)CCN2CCCCCC2)c(C)n1	901153981	NEBWYBUBFTUOQG-UHFFFAOYSA-N	305.426	1.928	50	20	DDGD	
COCCCOCCC(=O)NNc1cc(F)c(F)c(F)c1	830831593	OZAZCARCPIITKP-UHFFFAOYSA-N	306.284	1.990	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	839661461	BZPBVVWKIWNLKS-UHTWSYAYSA-N	316.357	1.087	50	20	DDGD	
C[C@@]1(C(=O)NCc2ccc(C(N)=O)o2)C[C@H]1Br	906888436	DJZOFGGQNVWSKI-LDYMZIIASA-N	301.140	1.168	50	20	DDGD	
C[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)CC12CCCCC2	584977652	ZVEXAQWTANUOAZ-AWEZNQCLSA-N	315.222	1.799	50	20	DDGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCO[C@H](CC(=O)O)C1	833061679	FIMBSVZRPJDCBO-TYBUVKLMSA-N	317.301	1.635	50	20	DDGD	
COc1ccccc1CC(C)=NNC(=O)[C@H]1CCS(=O)(=O)C1	730576583	SUGISUSNLBRJFI-ZDUSSCGKSA-N	324.402	1.165	50	20	DDGD	
Cn1nnc2cc(C=NNC(=O)NC3CCCCC3)ccc21	737420407	HBCYHTNJUWULEO-UHFFFAOYSA-N	300.366	1.934	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1cc(Br)ccc1O	735412157	OLIBZIOTMBAZIX-UHFFFAOYSA-N	323.150	1.950	50	20	DDGD	
CC1(C)Cc2cccc(CCNCc3ccc(B(O)O)o3)c2O1	585047843	WJALAKVRTPIHCD-UHFFFAOYSA-N	315.178	1.005	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1c[nH]nc1-c1cccnc1	839399891	MRBKUUUJRATWTF-UHFFFAOYSA-N	314.393	1.654	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)NCCNC(=O)C1CC1	913898950	XEMWRWHKRVNUTO-UHFFFAOYSA-N	310.785	1.801	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1nccnc1Cl	913163529	QDUKJJHBNDFKIO-UHFFFAOYSA-N	304.606	1.562	50	20	DDGD	
CC(=NNC(=O)c1cccc(S(C)(=O)=O)c1)c1ccncc1	915052199	JBZBFICKQVKVIG-UHFFFAOYSA-N	317.370	1.639	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H](C(=O)NNC(=O)CC(C)C)C2	747416116	MRDDBQFHWKLRQD-LBPRGKRZSA-N	306.362	1.440	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCCc1nc(O)c2ccccc2n1	910180650	YDRRKVBBTYWSQJ-LLVKDONJSA-N	318.377	1.002	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CCCS(=O)(=O)C2)c(Cl)c1	846245477	DXMIJVWOPHWTGI-SNVBAGLBSA-N	316.810	1.916	50	20	DDGD	
O=C(O)COc1ccc(C=NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)cc1	844612326	CAYBFUVONCAATL-HZSPNIEDSA-N	318.329	1.168	50	20	DDGD	
CC(C)CNC(=O)N1CCC[C@@H](C(=O)NNC(=O)C2CCC2)C1	741220402	QAHSOQDCJSXJDH-CYBMUJFWSA-N	324.425	1.012	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1cccc(Cl)c1Cl	848220082	MEGARCIZWTTWFP-RNFRBKRXSA-N	302.161	1.948	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1ccc(Cl)cc1F)C(=O)O	848584769	HQZRPPUHLDHMRI-LURJTMIESA-N	317.704	1.144	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc(O)c([N+](=O)[O-])c1	916354362	CGXKMVSEDNMDOW-UHFFFAOYSA-N	308.338	1.482	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)n1	847442002	FZFVIVVORYTSFU-KBPBESRZSA-N	318.425	1.736	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCCN1c1ccccc1	843656296	PEBJUACHYUEHSI-AEGPPILISA-N	317.389	1.228	50	20	DDGD	
CC(=NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)c1ccc(C(=O)O)c(F)c1	844607807	AAPXOTKDVAEFND-SCDSUCTJSA-N	320.320	1.932	50	20	DDGD	
O=C(NNC(=O)c1ncccn1)N[C@@H]1C[C@@H]1C1CCCCC1	841583000	WPKPONZETOLVSR-VXGBXAGGSA-N	303.366	1.389	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2ccc(-n3ccnc3)nn2)CS1	841590649	PHTVVBHSLSGQNV-NXEZZACHSA-N	319.394	1.182	50	20	DDGD	
O=C(NNc1cccc(F)c1F)[C@@H]1CCCS(=O)(=O)C1	845857564	KPHHKEWAIRFXFP-MRVPVSSYSA-N	304.318	1.233	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(Br)cc1O	910154715	FSEDQTHPPGFRJA-ZETCQYMHSA-N	303.156	1.112	50	20	DDGD	
C[C@H]1CC[C@H](C)N1CC(=O)NNC(=O)Cc1ccc(Cl)cc1	746097802	BBWLJIKPPKJYOU-RYUDHWBXSA-N	323.824	1.903	50	20	DDGD	
CN(C)CCn1ccc(C(=O)NNc2cccc(F)c2F)n1	847601439	SKALQJQELOVLNQ-UHFFFAOYSA-N	309.320	1.480	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCc1cccc(F)n1	747939268	VLGFJTCJYARIBZ-UHFFFAOYSA-N	302.309	1.673	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=CC(C)(C)NC(=O)OC(C)(C)C	842560615	NARRPBKWRTWLGF-WDEREUQCSA-N	313.398	1.817	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)Cc1csc(-c2ccccc2)n1	910166612	BZBSLKQOGRANSZ-NSHDSACASA-N	305.403	1.696	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](CO)c1cccnc1	910967434	JHQNTKWLSHPDEO-ZDUSSCGKSA-N	322.796	1.597	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=c1c(=O)c2cccc3cccc1c32	842554824	MKQLMRPNMJSFGI-JQWIXIFHSA-N	308.337	1.586	50	20	DDGD	
COCC1(CC(=O)NNc2nc(-c3ccncc3)no2)CC1	843783300	HMSSPMLSBYSZRF-UHFFFAOYSA-N	303.322	1.391	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N2C[C@H]3[C@H](C2)C3(F)F)cc1	846710451	MFQGGFDCDKRXPF-QWRGUYRKSA-N	306.272	1.110	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)COc2ccccc2F)o1	746094117	AINJLPSUMRGCFI-UHFFFAOYSA-N	307.281	1.271	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNC(=O)Nc1ccccc1C	848032575	KEXYKHCRIUFRFQ-JTQLQIEISA-N	307.350	1.737	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](CO)CCF)cc1	846566329	GNDZJTPOIJEZBH-SSUFTNFISA-N	306.337	1.829	50	20	DDGD	
COc1ccc(Cl)cc1NCCC(=O)NNC(=O)C1CC1	743841935	IEYCCIFZWZUEAH-UHFFFAOYSA-N	311.769	1.708	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H]1CCO[C@@H]1C)c1cccs1	843276677	GMVZBIWJDWARID-IVZWLZJFSA-N	313.448	1.729	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)cc2s1	843658255	UCBDMPJJVUEUGW-LDYMZIIASA-N	319.386	1.791	50	20	DDGD	
O=C(NN=C1CCOC[C@@H]1CN1CCCCC1)c1ncccn1	841663954	BYDIYGFEWDVDQG-ZDUSSCGKSA-N	317.393	1.085	50	20	DDGD	
COc1cc(C(=O)NNC(=O)NC2CC2)cc2c1O[C@@H](C)C2	920766478	DFIGVHQNJAAPNC-QMMMGPOBSA-N	305.334	1.125	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)c1cnc2n1CCCC2	750788041	KUKUPZRTKIVTEN-UHFFFAOYSA-N	314.374	1.981	50	20	DDGD	
COc1cc(C=O)ccc1OCC(=O)NCCCSC#N	854362939	IAOKSXCDQHMUJX-UHFFFAOYSA-N	308.359	1.607	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cccn2C)cc2n[nH]cc12	757817108	DRIGGVBIWLYYAA-UHFFFAOYSA-N	312.333	1.676	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1c(O)cccc1Cl	755759589	FMKLLUMVSQFYDZ-VIFPVBQESA-N	300.742	1.547	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1nnc(C(F)F)s1	756222850	UKIWOBVGKWTFEP-UHFFFAOYSA-N	305.310	1.819	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNc1ccc([N+](=O)[O-])cc1F	853770322	HRSSFSMJRCOBPL-QMMMGPOBSA-N	300.290	1.785	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2c(O)cccc2Cl)n1	753463757	GYCJOLVPXYNBBJ-UHFFFAOYSA-N	314.132	1.828	50	20	DDGD	
CCCn1nccc1C(=O)NNC(=O)COc1ccc(C)cc1	854212612	QZJVGWYVYXZPSW-UHFFFAOYSA-N	316.361	1.442	50	20	DDGD	
Cc1ncc(NC(=O)NNC(=O)Cc2c[nH]c3ccccc23)cn1	756372812	UTONICIBLIORRS-UHFFFAOYSA-N	324.344	1.662	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc(NC(=O)OC(C)(C)C)nc1	858748350	SEEJWPFVTVMSTP-UHFFFAOYSA-N	309.326	1.002	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@H]32)n1	858148642	FSBWSPWUBIOOPM-USXIJHARSA-N	324.384	1.233	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](CC(=O)OCC)C(F)(F)F	855515714	HFNVXGTUSWOTRH-FLOXNTQESA-N	308.256	1.431	50	20	DDGD	
N#CSCCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2	854363172	OKWCEQKPGQXXRD-UHFFFAOYSA-N	309.303	1.658	50	20	DDGD	
O=C(CN1CCCCC1=O)OC[C@H](CBr)C1CC1	859500500	HEAOLZIXFLGNCF-NSHDSACASA-N	318.211	1.963	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)Cn2ccc3ccccc32)o1	754022019	NBBQGPRDVYTHIQ-UHFFFAOYSA-N	311.341	1.933	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@]2(C)CCOC2)cc1OC	754350423	GCJAURCQJZBVDJ-INIZCTEOSA-N	322.361	1.282	50	20	DDGD	
CC(C)N1CC(=NNC(=O)c2ccc3c(c2)OCO3)[C@H](C)C1	754253760	FJKVVUMJODXDQT-LLVKDONJSA-N	303.362	1.861	50	20	DDGD	
Cc1ccc(NNC(=O)CCCN2C(=O)CN(C)C2=O)cc1F	856232075	PIGFPNMAQMRGTB-UHFFFAOYSA-N	322.340	1.251	50	20	DDGD	
Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)NN)ccc1F	920434036	YWTJCXIOKKILKD-UHFFFAOYSA-N	323.349	1.538	50	20	DDGD	
CCn1nc(C)c(CNC(=O)NNC(=O)c2cc(C)cs2)n1	858551668	LHULIFGWDNXRTB-UHFFFAOYSA-N	322.394	1.121	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NNc1ncc(Cl)cn1	856895940	PKYIXHDNWIVCQR-ONGXEEELSA-N	311.773	1.737	50	20	DDGD	
CC[C@H]1C[C@H](C(=O)NN(C)C(=S)NCCCOC)CCO1	854284037	UYYBSCUBSRUEFP-NEPJUHHUSA-N	317.455	1.066	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cc2ccccc2o1)[C@H]1CCC(=O)N1	859908276	FASXXMXSJIHPEL-MWLCHTKSSA-N	315.329	1.109	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)c2cc[nH]n2)c1C	855359533	VVZXJHFUIBDCGZ-UHFFFAOYSA-N	302.334	1.257	50	20	DDGD	
C[C@]1(CNC(=O)c2cnc3cccnn23)C[C@H]1Br	857733209	HUNRRZNGLAGENP-BXKDBHETSA-N	309.167	1.633	50	20	DDGD	
C[C@]1(CNC(=O)c2csc(CO)n2)C[C@@H]1Br	869356438	HVHSEYOLWGSWMV-OIBJUYFYSA-N	305.197	1.539	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1ccc(O)c(Cl)c1	768775803	HAUNYBRVRRMBAM-SNVBAGLBSA-N	314.769	1.937	50	20	DDGD	
CC[C@H](NS(=O)(=O)CC(C)(C)CCl)C(OC)OC	867494517	VPLYQGWOMLCTIE-VIFPVBQESA-N	301.836	1.568	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H](c2ccccc2)C2CC2)n[nH]1	869015082	NCMAMIMPCOJXIU-MRXNPFEDSA-N	312.373	1.602	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C	860605707	NEWCIKZSWQZYRH-RMIALFOJSA-N	306.362	1.976	50	20	DDGD	
Cc1csc(C(=O)NNS(=O)(=O)CCC(C)(C)C#N)c1	863413079	BWRJTGVBSRUDPZ-UHFFFAOYSA-N	315.420	1.561	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@H]2C[C@@H](O)C2)cc1	863180214	HJMYXVVCCJZCCT-XYFZSHJZSA-N	300.358	1.879	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1Cc2ccccc2[C@@H](C(=O)OC)C1	863571021	OUMLMKJARFMJKH-HVCHUGMYSA-N	314.341	1.729	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@H]1CC(=O)N(c2ccccc2)C1	760906142	NYCWXWBCQXEUEH-JTQLQIEISA-N	315.308	1.112	50	20	DDGD	
CCOc1c(OC)cc(C=NNC(=O)c2cn[nH]c2)cc1OC	863154530	FNZQHAWNHNMGPG-UHFFFAOYSA-N	318.333	1.590	50	20	DDGD	
Cc1nn(C)c2ncc(C(=O)NNc3nc4ccccc4[nH]3)cc12	768494307	GKSKMUHAOWZKBJ-UHFFFAOYSA-N	321.344	1.910	50	20	DDGD	
CCOC(=O)c1cnc(C)c(C(=O)NN[C@H](C)C(F)(F)F)c1	862316622	SAYQGSVTJNOSAI-MRVPVSSYSA-N	319.283	1.752	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cccc(OC(F)(F)F)c1	763444098	RJZGBFQMNYLDQT-UHFFFAOYSA-N	319.239	1.081	50	20	DDGD	
CC(=NNC(=O)C(=O)NC(C)C)c1ccc(C(C)(C)O)cc1	767361652	PSEMVOBPDDTCNQ-UHFFFAOYSA-N	305.378	1.279	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C(C)c1ccnn1C	765993455	NGXKMFPOYJZLQH-UHFFFAOYSA-N	302.334	1.348	50	20	DDGD	
Cc1cc(F)c2c(c1)C(=NNC(=O)C1CCOCC1)C(=O)N2	1119361357	JSWKBQQZVYVGLO-UHFFFAOYSA-N	305.309	1.333	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCCCN(C)c1ccccc1	875137747	KGLITGFBBNVAEN-UHFFFAOYSA-N	308.382	1.815	50	20	DDGD	
CCOC(=O)c1cnc(C)c(C(=O)NNc2cc(C)ncn2)c1	775604119	IXNHSOPDOPTABI-UHFFFAOYSA-N	315.333	1.422	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1coc(C2CC2)n1	777253746	YKUWBYDPROUGBJ-UHFFFAOYSA-N	312.289	1.754	50	20	DDGD	
CN1CCN(c2ccc(/C=C(\C#N)S(C)(=O)=O)cc2)CC1	771518855	WNHOAOZVYSWPDE-RVDMUPIBSA-N	305.403	1.347	50	20	DDGD	
COC(=O)NCCNC(=O)NNc1cccc(F)c1Cl	875652243	VROSEIHGWOUDQZ-UHFFFAOYSA-N	304.709	1.461	50	20	DDGD	
CC(=NNC(=O)NC1CCCC1)C1CCS(=O)(=O)CC1	777433417	DIUAMERDPZNNLW-UHFFFAOYSA-N	301.412	1.429	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)OCc2nc(O)n[nH]2)cc1	774882165	GCPIKURMOAWPJN-POHAHGRESA-N	300.274	1.169	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1ccc(C(=O)O)c(F)c1	776767097	WSJSPSRSUXRPEE-UHFFFAOYSA-N	311.313	1.584	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccncc2C)c(C)c1	771720337	CLJVTNHNTDTLGJ-UHFFFAOYSA-N	312.373	1.880	50	20	DDGD	
Cc1nccc(NC(=O)NNC(=O)c2ccc(Cl)cc2O)n1	776494229	WMNZSTOCFSGWNQ-UHFFFAOYSA-N	321.724	1.611	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c2ccccc2n1	770850491	CTTJYKNFLPIPNU-RYUDHWBXSA-N	313.357	1.729	50	20	DDGD	
CC1(C)C[C@@H]1CNC(=O)NNc1cccc(S(C)(=O)=O)c1	776622044	AGYJULAFXNVSSO-SNVBAGLBSA-N	311.407	1.762	50	20	DDGD	
CCOc1ccccc1[C@@H](CC)NCC(=O)NNC(=O)C1CC1	775088748	WXVRCPSCJBGWSA-CQSZACIVSA-N	319.405	1.683	50	20	DDGD	
CC(C)c1nnnn1CC(=O)OC[C@H](C)CBr	770390594	JMBZMTIKDYPBSI-MRVPVSSYSA-N	305.176	1.371	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)Cc2ccccc2F)sc1C	770460797	MEVINOPCRLXAPW-UHFFFAOYSA-N	307.350	1.903	50	20	DDGD	
COCCC1(CNC(=O)NNc2ccc(C#N)cn2)CCC1	888571736	ZCJDYBKKXVTZSW-UHFFFAOYSA-N	303.366	1.786	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccnn1)c1ccc(N(C)C)cc1	773609555	DIIUKVNUHBTEPB-LLVKDONJSA-N	300.366	1.930	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CCC(=O)NC1CCCC1	772842232	ULDWYZUWXXDBLN-UHFFFAOYSA-N	319.409	1.882	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2cncc(F)c2)c1	776532587	DEYBMWPENUZONW-UHFFFAOYSA-N	309.322	1.381	50	20	DDGD	
CSC[C@@H](C)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	772112411	ZUKBYQQYGVIAPI-NXEZZACHSA-N	304.412	1.111	50	20	DDGD	
C[C@@H](C1CC1)n1cc(NC(=O)NNC(=O)c2cnccn2)cn1	779509127	YKJMKZGIERTRFB-VIFPVBQESA-N	315.337	1.111	50	20	DDGD	
CC[C@@H](CN1CCCC1)NC(=O)NNc1ccc(C#N)cn1	888561092	KSQMECUFMXISFE-ZDUSSCGKSA-N	302.382	1.454	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1ccc(Cl)cn1	884402148	LHVJGZHWPOLDMT-NSHDSACASA-N	310.785	1.153	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cc(F)cc(F)c1O	884434633	RZYJNTITXMBGSC-QMMMGPOBSA-N	302.277	1.172	50	20	DDGD	
N#C/C(=C/c1cnn(Cc2ccccc2)c1Cl)S(N)(=O)=O	789160816	YVGQSDLIAYBWRE-SDQBBNPISA-N	322.777	1.738	50	20	DDGD	
C[C@H](C(=O)NNc1c(F)cc(F)cc1F)[C@H]1CCC(=O)N1	885154011	UVZZRWDXWUHJKI-QUBYGPBYSA-N	301.268	1.462	50	20	DDGD	
O=S(=O)(CCCCCl)N1c2ccccc2C[C@@H]1CO	882751202	DYEIYQVYWCVTHY-GFCCVEGCSA-N	303.811	1.759	50	20	DDGD	
COc1cccc(NNC(=O)c2cccc([N+](=O)[O-])c2O)n1	780769272	DXHSIVBQCIQADE-UHFFFAOYSA-N	304.262	1.461	50	20	DDGD	
CC(C)NC(=O)NNS(=O)(=O)c1ccccc1-c1ccno1	782252030	OHHCXZVEBYYGRF-UHFFFAOYSA-N	324.362	1.243	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2nnc(C)s2)c1	780896023	BQCQEDDMXKGFNX-UHFFFAOYSA-N	321.362	1.459	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=C[C@H]1CCSC1	782170250	FNZVZQFOSHUCOO-REWJHTLYSA-N	313.467	1.587	50	20	DDGD	
COCC(=NNC(=O)Cc1cc(O)nc(S)n1)C1CCCC1	780208215	KOBPLRJMEPGZNN-UHFFFAOYSA-N	324.406	1.322	50	20	DDGD	
COc1ccc(NNC(=O)COc2ccc([N+](=O)[O-])cc2)nc1	781515879	JJYKZZQBQGCWRD-UHFFFAOYSA-N	318.289	1.521	50	20	DDGD	
COC(=O)NNC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2	891769561	AZJIVXHRUVBSBB-UHFFFAOYSA-N	320.271	1.168	50	20	DDGD	
CC[C@H]1C[C@@H](CC(=O)NNC(=O)NCC(F)(F)F)CCO1	781680917	UCSZXLWQYCMVCD-IUCAKERBSA-N	311.304	1.474	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1cnn(C(C)(C)C)c1C	787152543	WKWBUYVFIBRWHM-UHFFFAOYSA-N	300.366	1.891	50	20	DDGD	
Cc1cnc2c(cnn2CC(=O)NNC(=O)CC(C)(C)C)c1	894253906	BBKWSIJKXYBGSH-UHFFFAOYSA-N	303.366	1.323	50	20	DDGD	
C[C@@H](OC(=O)/C(C#N)=C/c1ccccc1)C(=O)N1CCNC1=O	785345458	PNQWEOUKCLJNHP-VSXLWIIGSA-N	313.313	1.077	50	20	DDGD	
Cc1ccc(C)c(C2=NO[C@H](C(=O)NNC(=O)C3CC3)C2)c1	899936927	JWSJEFIFDSFBIR-AWEZNQCLSA-N	301.346	1.354	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCN2C(C)C)cc1O	899943746	FHUDQJRGPMWQKR-ZDUSSCGKSA-N	305.378	1.334	50	20	DDGD	
C=C(CBr)COC(=O)CN(C)[C@H]1CCSC1	795575205	PXIWASXREYPGIT-JTQLQIEISA-N	308.241	1.918	50	20	DDGD	
O=C(CC1OCCO1)NNC(=O)c1cccc2ccccc12	793553086	ZTJPQGUXMIKVAX-UHFFFAOYSA-N	300.314	1.364	50	20	DDGD	
COc1cccc(NCC(=O)NN=C(C)c2ccc(O)nn2)c1	790150326	VOYNOVJIVOKTTE-UHFFFAOYSA-N	315.333	1.143	50	20	DDGD	
C[C@H]1CCCC[C@@H]1OCC(=O)NNc1nc2ccccn2n1	791258362	UAUICYBZQOHAQM-RYUDHWBXSA-N	303.366	1.768	50	20	DDGD	
COc1cccc(NCC(=O)NN=C(C)c2cc(C)n(C)n2)c1	799873576	TYIRCTLNTQTROD-UHFFFAOYSA-N	315.377	1.689	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)NOCC(F)F	793176889	GUPYPSMMXIZRKU-UHFFFAOYSA-N	307.684	1.410	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H](O)c1cccc(C(F)(F)F)c1	794611972	BFJAZKKUTTUNKG-JTQLQIEISA-N	304.268	1.542	50	20	DDGD	
O=C1CCC[C@H](C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)N1	799520368	WDXHAAXCPHKGBP-CQCMJFKXSA-N	319.405	1.019	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)NCCc2cccs2)CC1	799581540	BSZJKPWXHNQENT-UHFFFAOYSA-N	311.407	1.438	50	20	DDGD	
CC(C)NC(=S)NNC(=O)Cc1cn(C)c2ccccc12	1318040652	IICOQTSVNUZNTH-UHFFFAOYSA-N	304.419	1.625	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CC[C@H]2OCCC[C@H]2C1	1319330538	DHOOJTGNQDFYOB-DZGCQCFKSA-N	317.389	1.850	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)c2ccc[n+]([O-])c2)c1	1322366657	UQFGCUQETMFOFC-UHFFFAOYSA-N	315.333	1.170	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccccc1Cl)[C@H]1CCCNC1	1326132580	KXSKFIVJVJKSKM-QWRGUYRKSA-N	324.812	1.672	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2c(O)cccc2F)cc1	1320409344	PVXALHQZAOHVQV-UHFFFAOYSA-N	304.277	1.615	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	1325313042	LYWSVUKLWZWLRA-NWANDNLSSA-N	322.453	1.675	50	20	DDGD	
Cn1cc(C(=O)C(=O)NNc2ccc(C(F)(F)F)cn2)cn1	1321384154	YQLRXQIJOXSITQ-UHFFFAOYSA-N	313.239	1.160	50	20	DDGD	
Cn1cc([C@@H]2C[C@H]2C(=O)NNc2ccc(C(C)(C)C)nn2)cn1	1331348081	QYLRHQZMIHIDBD-NWDGAFQWSA-N	314.393	1.754	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)[C@H]1CC(c2cnn(C)c2)=NO1	1335896732	IVLOFQZGCLNXTA-CYBMUJFWSA-N	317.324	1.504	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CCO)cc(C(F)(F)F)c1	1330741106	RHCAZDRMVIXBRA-UHFFFAOYSA-N	305.256	1.549	50	20	DDGD	
COc1ccnc(NNC(=O)[C@]23CC[C@H](CC2=O)C3(C)C)n1	1346164749	WYUOYNVDYLXDSD-PSLIRLAXSA-N	304.350	1.324	50	20	DDGD	
COCCn1ccc(C(=O)OC[C@@]2(C)C[C@@H]2Br)n1	1348961501	NIWRTDRKFSUCJF-CMPLNLGQSA-N	317.183	1.860	50	20	DDGD	
COc1ccc2c(c1)[C@H](C(=O)NNc1ccn(C)n1)CCC2	1346490497	CWHHVWMFVGIWOB-CYBMUJFWSA-N	300.362	1.992	50	20	DDGD	
Cc1ncc(NC(=O)NNC(=O)C(C)C)cc1Br	1263652093	FQFJLFMFLFUGGI-UHFFFAOYSA-N	315.171	1.961	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ncc(Cl)cc1Cl	1353726306	KEYRLOUXDGDUGP-POYBYMJQSA-N	318.160	1.574	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CCCCN1Cc1cccc(F)c1	1350804927	YAPRMSNWRBDBRJ-HNNXBMFYSA-N	321.396	1.984	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)[C@@H]1CCc2cncn2C1	1602471143	CYIITPCWXSUOBD-SNVBAGLBSA-N	300.318	1.287	50	20	DDGD	
CCc1cc(NC(=O)NNc2ccc(F)c(C(=O)O)c2)n(C)n1	1605800678	GPNQNEMCTWXORZ-UHFFFAOYSA-N	321.312	1.968	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2ccc(CC(=O)O)cc2)C1	1608230495	CAQRYRRZSLVODT-VXGBXAGGSA-N	319.361	1.049	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H](C)CN2CCCCC2)[nH]c1C(=O)O	1607633722	UEVPCRAXOALUNW-LBPRGKRZSA-N	320.393	1.593	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H](F)C(F)(F)F	1609559093	GHSXERSLCQPRDJ-ZETCQYMHSA-N	304.207	1.210	50	20	DDGD	
CCC/C=C\[C@H](O)C(=O)NNc1cccc(-c2nn[nH]n2)c1	1604157202	XOPVGUXGZBMYEM-LDJOOVGUSA-N	302.338	1.027	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(C(=O)O)c1F)c1cnn(C)c1	1603173507	NWOOABYTYQKQTL-MRVPVSSYSA-N	306.297	1.504	50	20	DDGD	
O=C(O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NCC(Cl)Cl	1601813258	XFAPGIOQAOBNTI-RQJHMYQMSA-N	304.195	1.353	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C2(C(=O)O)CC2)cc1C	1600458198	CRZGHJFJEZMOEM-UHFFFAOYSA-N	307.375	1.486	50	20	DDGD	
COCc1cc(NC(=O)NNC(=O)C(C)C)cc(C(=O)O)c1	1610269701	HRTWCHSYHLJZEB-UHFFFAOYSA-N	309.322	1.340	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1ccc(C)c(C(=O)O)c1	1610139634	UGHFPBKEWYSTME-UHFFFAOYSA-N	307.350	1.443	50	20	DDGD	
CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](F)Cl)n[nH]1	1818037438	GFOOGIHOQAWHTL-ONGXEEELSA-N	302.737	1.956	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C=NNC(=O)C1CCOCC1	1552917681	CHDBBAKKLHNJHS-UKRRQHHQSA-N	320.393	1.416	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@@H]1C=NNC(=O)c1cn[nH]c1	1552762690	LHSSVWLKZQBCQR-ZYHUDNBSSA-N	302.338	1.120	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCO[C@H]1c1ccnn1C)c1ncc[nH]1	1550696563	KYJRRSHEIJRUGH-WCQYABFASA-N	316.365	1.151	50	20	DDGD	
CC(C)(C#N)CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	1573761354	HNONZAXPFPMKLE-UHFFFAOYSA-N	320.744	1.298	50	20	DDGD	
C=C(CCC(=O)O)C(=O)NNc1cc(C(F)(F)F)ccn1	1588630550	QOCGUXQPIVEQIY-UHFFFAOYSA-N	303.240	1.965	50	20	DDGD	
NCCCCCC(=O)NNC(=O)C1(C(F)(F)F)CCCC1	1580292756	OLLAKPVIJQZKGO-UHFFFAOYSA-N	309.332	1.776	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cc(C(=O)O)oc2C)cc1	1597501188	YEPRJZSAEDHPAL-UHFFFAOYSA-N	316.313	1.923	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCCC(=O)O)c2ccccc21	1594530338	NSEIUNMEYJOHQY-UHFFFAOYSA-N	303.318	1.194	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNC(=O)NC2CCCC2)c1	1594288186	CQYCQEUOVVJVLU-UHFFFAOYSA-N	305.334	1.580	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1cc2c([nH]1)CCCC2	1594781371	LALCERROBWQSER-UHFFFAOYSA-N	300.318	1.744	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(F)cc1-c1nn[nH]n1	1590393445	FPDCHGUUWCYVLE-ZETCQYMHSA-N	321.316	1.205	50	20	DDGD	
Cc1nccn1CCCC(=O)NNc1ncccc1C(=O)O	1594471714	KJGGGLLQKGOPMU-UHFFFAOYSA-N	303.322	1.208	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1ccc(C(=O)O)cc1F)C1CC1	1599049607	MAUJYQIMOYPVTE-LBPRGKRZSA-N	311.313	1.575	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cc(Cl)cn2C)cc1	12393798	ZBXWPWFZKJNFQG-UHFFFAOYSA-N	321.764	1.827	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)COc2ccccc2[N+](=O)[O-])n1	14511638	UACOIUREFXHPTE-UHFFFAOYSA-N	317.305	1.524	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CC=CCC2)cc1	15813601	UMBIONCEHFJQQI-GFCCVEGCSA-N	301.346	1.437	50	20	DDGD	
CC(C)Oc1cc(CNC(=O)NNC(=O)C(C)(C)C)ccn1	156001216	XUZAONPKELPDIO-UHFFFAOYSA-N	308.382	1.745	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1noc2c1CCCCC2	155370648	XCQADLWIFOLCMO-UHFFFAOYSA-N	314.345	1.342	50	20	DDGD	
CS(=O)(=O)CCC(=O)NNc1c(Cl)cccc1Cl	159944170	OGSWSCSVOZVBRU-UHFFFAOYSA-N	311.190	1.871	50	20	DDGD	
O=S(=O)(NCCO[C@H]1CCOC1)c1ccc(CCl)cc1	921883341	UHMPGBOQWTZVEA-LBPRGKRZSA-N	319.810	1.509	50	20	DDGD	
CN(CC(=O)N1CCCC1)C[C@@H](CBr)C1CC1	859050568	MWWNMQSUXHRPEH-GFCCVEGCSA-N	303.244	1.962	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)CCl	867604222	FPRVZQGJINYIEQ-RKDXNWHRSA-N	312.819	1.500	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2sccc2C#N)c1O	52148235	YFZYCATVNYDAGU-UHFFFAOYSA-N	317.326	1.409	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N(C)C)cc(C)c1OC(F)F	107575843	SJWRTFXXCSBJNS-UHFFFAOYSA-N	301.293	1.821	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)c2cc3ccccc3o2)on1	176041808	FWXXXVABFHFMIB-UHFFFAOYSA-N	314.301	1.873	50	20	DDGD	
C[C@H]1CC[C@H](C)N1[C@@H](C)C(=O)NNC(=O)Cc1cccnc1	103533371	ZIRMATIBQSJQLS-AVGNSLFASA-N	304.394	1.033	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCC1(C)OCCO1	179212762	VUOJMFGCPGHMSX-UHFFFAOYSA-N	301.774	1.232	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NC2CCCC2)cccc1[N+](=O)[O-]	65920994	NNRFTMRSJKCDQU-UHFFFAOYSA-N	306.322	1.790	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)Nc2ccc(Cl)nc2)cc1	119652653	PPGZJFUSYAZIGI-UHFFFAOYSA-N	315.720	1.688	50	20	DDGD	
O=C(CSCc1cccnc1)NNc1ccc(Cl)nn1	118504287	LPEIUNNDBAZIIY-UHFFFAOYSA-N	309.782	1.902	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCC(=O)C(C)(C)C)cc(C#N)n1C	179086526	PSGSZTOXVUISIU-AWNIVKPZSA-N	312.373	1.844	50	20	DDGD	
COc1ccc2sc(C(=O)NNC(=O)CN(C)C)c(C)c2c1	175944850	GOKIEZRQSZWVPN-UHFFFAOYSA-N	321.402	1.541	50	20	DDGD	
C[C@H](Oc1ccccc1Cl)C(=O)NNC(=O)c1cnn(C)c1	117681319	WGCCFCDDUSKRKR-VIFPVBQESA-N	322.752	1.302	50	20	DDGD	
Cc1nn(C)c2nc(C3CC3)cc(C(=O)NNc3cnccn3)c12	114879434	VBIWYQHGMZBDJR-UHFFFAOYSA-N	323.360	1.701	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@@H]2CCOC2)c1C	66895442	XYQSATXQRDSRJP-QWHCGFSZSA-N	306.362	1.255	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCc1nc2c(F)cccc2n1C	178965603	YMYYGNXQPVQIJK-ZHACJKMWSA-N	316.336	1.815	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc(C(=O)N(C)C)cc2)n1	170849487	HCLDTCLVMYIVCT-UHFFFAOYSA-N	313.361	1.552	50	20	DDGD	
Cc1ccc(NCCCNC(=O)NNC(=O)CC(C)(C)C)nc1	170894352	ZDEBJPXHKSLMHL-UHFFFAOYSA-N	321.425	1.959	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(N2CCCC2=O)cc1	64426561	LJMDNOAXQRLORK-UHFFFAOYSA-N	318.377	1.558	50	20	DDGD	
Cc1nc(-c2ccccc2)sc1NC(=O)NNC(=O)CO	184300722	WJHKCULMMDOCSV-UHFFFAOYSA-N	306.347	1.264	50	20	DDGD	
O=C(NNC(=O)N1CCC([C@H]2CCCO2)CC1)c1ccccc1	187263325	OHTHPSCVPVSCCH-OAHLLOKOSA-N	317.389	1.932	50	20	DDGD	
Cc1[nH]nc2ncc(C(=O)NNc3ccccc3[N+](=O)[O-])cc12	120533692	AHLGXJHAHLRYOH-UHFFFAOYSA-N	312.289	1.931	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNc1nc(-c2ccncc2)no1	181589685	WQFUIRYVIBGYMD-SNVBAGLBSA-N	305.338	1.637	50	20	DDGD	
COc1ccncc1NC(=O)C(=O)NNc1ccc(F)cc1	181392458	ZDMMMURYFPEDPK-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
COc1ccnc(NNC(=O)C[C@](C)(O)c2ccccc2)n1	181948342	AKINIQWIRFVDEQ-HNNXBMFYSA-N	302.334	1.226	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)C2(O)CCC2)c1C	184593100	SNQUIUBRGZLHTK-GFCCVEGCSA-N	306.362	1.133	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1ncccc1O	188221049	HKZKGFGLBPYGAX-UHFFFAOYSA-N	314.330	1.458	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)COC(C)(C)C	181156200	KLXAHJSOZCDCOA-JTQLQIEISA-N	312.341	1.556	50	20	DDGD	
COc1ccccc1NC(=O)C(=O)NNc1cccc(F)c1	120820065	LWROJCGXPKXITR-UHFFFAOYSA-N	303.293	1.916	50	20	DDGD	
CCC[C@H]1C[C@@H](C(=O)NNC(=O)c2ccc(C#N)cc2)CCO1	183647904	QRSZTASBEZLZAK-GJZGRUSLSA-N	315.373	1.915	50	20	DDGD	
C[C@@H](Oc1ccc(Br)cc1)C(=O)NN(C)C(N)=O	181059197	ZIPQJACHJLWMDS-SSDOTTSWSA-N	316.155	1.258	50	20	DDGD	
C=CCN(C[C@H](C)CBr)[C@@H]1CCS(=O)(=O)C1	133972192	SOTYNQGFKDOBIM-GHMZBOCLSA-N	310.257	1.693	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)N[C@H](C)C2CC2)cc1OC	43843064	XVPXZVDWCJRYSN-SNVBAGLBSA-N	321.377	1.836	50	20	DDGD	
COc1ccc(-c2cc(C(=O)NNC(=O)CO)sc2C)cc1	182744716	VFQQJGSPWDIMIB-UHFFFAOYSA-N	320.370	1.485	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1sccc1Br	48824181	SGRFVQDQZXYPBP-ZETCQYMHSA-N	319.180	1.451	50	20	DDGD	
CCCC[C@@H](COC)NC(=O)NNc1ccc(Cl)nn1	133291147	SFCHZDFBYZNULU-VIFPVBQESA-N	301.778	1.961	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCCc3c2cnn3C)o1	84153403	ZAQPMHYGQFGGCL-NSHDSACASA-N	317.349	1.343	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C(=O)Nc1ccc2c(c1)CCO2	190302932	XLOQCEJKXXRKND-UHFFFAOYSA-N	316.292	1.237	50	20	DDGD	
O=C(COc1ccc(Cl)cc1)NNC(=O)Nc1ccncc1	193555017	IPCGUIYEVMEQIR-UHFFFAOYSA-N	320.736	1.967	50	20	DDGD	
CCOC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1	198349975	LBIWJOIJDYXGIV-UHFFFAOYSA-N	315.370	1.411	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1)C(=O)Nc1ccc(F)nc1	131215407	GEXYRPJIRCLQQS-UHFFFAOYSA-N	308.700	1.956	50	20	DDGD	
O=C1CCCC[C@@H](C(=O)NNC(=O)c2cccc(Cl)c2)N1	193678719	XJPRQSKDKVGDHK-NSHDSACASA-N	309.753	1.160	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNc1nc2ccccn2n1	191900344	CXPLIBNWSPGHET-UHFFFAOYSA-N	305.338	1.152	50	20	DDGD	
COCCN1CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)CC1	194602416	ZLJUOGXYZZDSPY-QINSGFPZSA-N	315.373	1.090	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	247325222	GOXFFWJGZLVXLY-XXINRUCKSA-N	301.346	1.381	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)N1CCOCC1)c1ccc(F)cc1	255108185	YJLPFOIWFWVTTJ-KHPPLWFESA-N	307.325	1.302	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1C[C@H](C)OC(C)(C)C1	264095985	HPYBYZCMCXNAGP-LBPRGKRZSA-N	305.378	1.849	50	20	DDGD	
O=C(C[C@H]1CCCCO1)NNC(=O)c1ccc2c(c1)OCCO2	267969231	LCUDIALJSLEORI-GFCCVEGCSA-N	320.345	1.178	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCCCSC	265474162	MHOPXEKVMNPTTA-UHFFFAOYSA-N	311.407	1.321	50	20	DDGD	
CCOCCC1(C(=O)NNC(=O)c2ccccn2)CCCC1	268571678	IAWCXLBFNIJPSN-UHFFFAOYSA-N	305.378	1.830	50	20	DDGD	
CO[C@H](C)c1nc(CNC(=O)NNc2ncccn2)cs1	267735649	DVGXJIOVFGZXPT-MRVPVSSYSA-N	308.367	1.467	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNc3cc(C)ncn3)(CC1)C2	365310744	TWSYAXYIPHGDHL-UHFFFAOYSA-N	304.350	1.352	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H](C)CSC)nc1C	272185314	MHOGYHUTQKBDHV-QMMMGPOBSA-N	312.395	1.404	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C[C@@](C)(O)C2CC2)c1	270159416	YJCOKYQDYYGCSU-MRXNPFEDSA-N	306.362	1.072	50	20	DDGD	
CC(C)(C)[C@@H]1CN(C(=O)NNC(=O)Cc2cccnc2)CCO1	279655934	XFJAAZSLHBJWMO-ZDUSSCGKSA-N	320.393	1.112	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NNC(=O)C(C)(C)C	273780467	VXEIOXBJKYEXMT-UHFFFAOYSA-N	322.321	1.035	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@H]2Cc3cc(F)ccc3O2)n1	364276934	DSPZMKLJNVCFPJ-GFCCVEGCSA-N	317.324	1.129	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)CC2(OC)CCC2)cn1	276946912	RZDHWXZJENHPIG-UHFFFAOYSA-N	324.406	1.367	50	20	DDGD	
C[C@](O)(CNS(=O)(=O)CBr)c1ccsc1	272824995	PVYRYSQSNHTVBR-QMMMGPOBSA-N	314.226	1.227	50	20	DDGD	
CNC(=O)c1ccc(OS(=O)(=O)CCCCCl)cc1	275408901	BVVHNGHYGGSGKC-UHFFFAOYSA-N	305.783	1.774	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)c3ncn(C)n3)cc2C1	289306723	CFSIJVFAUSHMIS-QMMMGPOBSA-N	319.390	1.076	50	20	DDGD	
C[C@H](CNC(=O)/C(C#N)=C\c1ccc(O)cc1)c1nncn1C	280916620	XCXKAUUOZNWBTH-NUBYWOLOSA-N	311.345	1.348	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H]1C[C@H](c2ccccc2)OC1=O	289428675	VJLRPVWWQJVGGQ-QWHCGFSZSA-N	304.346	1.484	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@H]1CCOc2ccccc21	281196150	KSHGOYWSQJJJEA-VIFPVBQESA-N	317.267	1.445	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C(C)C	286496016	WERNQERUFQJRRY-ZDUSSCGKSA-N	321.377	1.479	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNC(=O)Nc1ccccc1C	281355896	VVEGOGKXCWYENB-GFCCVEGCSA-N	309.366	1.589	50	20	DDGD	
CN(C)c1n[nH]c(NC(=O)[C@@H](Br)C(C)(C)C)n1	285936995	HMMDROFYYHVOCZ-ZCFIWIBFSA-N	304.192	1.619	50	20	DDGD	
C[C@@H](CCc1cccn1C)NC(=O)NNc1ncncc1F	292780215	UCTFBORQJDREPD-JTQLQIEISA-N	306.345	1.602	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)C(=O)c2ccc(O)cc2)n1	806933224	VTUIJNZZAICICE-UHFFFAOYSA-N	306.709	1.470	50	20	DDGD	
CCOC(=O)COCCNC(=O)/C(C#N)=C\c1ccc(F)cc1	296957569	PCYHHDVXEUHCDR-LCYFTJDESA-N	320.320	1.429	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CCc2ccccn2)cc1	802052669	DGPUBRAPQFDMJB-UHFFFAOYSA-N	314.345	1.876	50	20	DDGD	
Cc1cc(CNC(=O)NNc2ccc3c(=O)[nH]ccc3c2)no1	806537402	WPSJLOHIMSZYKR-UHFFFAOYSA-N	313.317	1.651	50	20	DDGD	
CCOc1ccc(NNC(=O)CS(=O)(=O)CC(C)C)cc1	294311307	KVZPRIQWDPPPND-UHFFFAOYSA-N	314.407	1.599	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)COc1ccccc1C	807371755	PJCKXFMXIOYLGJ-UHFFFAOYSA-N	324.377	1.310	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1C1CC1	293945561	PQHITPSVNZXYGZ-GWCFXTLKSA-N	320.393	1.499	50	20	DDGD	
O=C(COc1ccc(Cl)c(F)c1)NNC(=O)[C@@H]1CCCO1	294459052	AFUNXQRSGQZEEI-NSHDSACASA-N	316.716	1.184	50	20	DDGD	
O=C(CCNC(=O)c1ccc(F)cc1)NNc1ncccc1F	804216607	LRSDBVMFYXXZET-UHFFFAOYSA-N	320.299	1.623	50	20	DDGD	
C[C@H]1CC(=NNC(=O)[C@@H]2CCS(=O)(=O)C2)c2ccccc21	807958997	LVHJUXALFSUILD-WDEREUQCSA-N	306.387	1.449	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1ccc2c(c1)OCO2	804028828	SWSVMUZSHRPHOC-UHFFFAOYSA-N	303.274	1.153	50	20	DDGD	
COC(=O)c1ccccc1CC(=O)NNc1ncccc1F	804213593	QJRCZQQGSOHFTD-UHFFFAOYSA-N	303.293	1.693	50	20	DDGD	
Cn1nnc2c1C[C@@H](C(=O)NNc1ccc(Cl)nc1)CC2	290359057	OVBURVFUQDXGGW-QMMMGPOBSA-N	306.757	1.112	50	20	DDGD	
Cc1cc2c(cc1C)O[C@H](C(=O)NNC(=O)[C@@H]1CCCCO1)C2	295639420	TXOAJAUKGQYQKG-ZFWWWQNUSA-N	318.373	1.323	50	20	DDGD	
CCOC(=O)c1cc2cc(C(=O)NNC(=O)N(C)C)ccc2[nH]1	299390914	RHYFOTWNWXDYPX-UHFFFAOYSA-N	318.333	1.261	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1cccc(F)c1Cl	806968088	WUEKROTZYJXWGZ-UHFFFAOYSA-N	308.700	1.956	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)Nc2ccc(OC)cc2)co1	802058703	MDQOSEKJDWYRJV-UHFFFAOYSA-N	304.306	1.712	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCC[C@H](C)C2)cc1	801105574	HTZZKNXMFVVPAL-QWHCGFSZSA-N	317.389	1.907	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1CC[C@@H](C(=O)O)C[C@@H]1C	814795420	VXYUGDRVWYVLJU-POYBYMJQSA-N	310.379	1.640	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)/C=C\c1cccc(O)c1	819727952	NVLFUPSOOCUQBC-KTKRTIGZSA-N	322.361	1.342	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1cnn(-c2ccccn2)c1C	814957289	FIGSAMIMXOHBTC-UHFFFAOYSA-N	323.360	1.382	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1ccccc1C#N	814763107	SSDYKLWJILHWHN-ZDUSSCGKSA-N	314.389	1.367	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1cccc(CN(C)C)c1	814824481	XIRCIKPIPWVZGB-UHFFFAOYSA-N	316.405	1.211	50	20	DDGD	
CC(=O)N[C@@H](CC(=O)NNC(=O)CC1CC1)c1cccs1	819135960	HVILFZPQFBWVFD-NSHDSACASA-N	309.391	1.263	50	20	DDGD	
CO[C@H]1CCC[C@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)C1	814375672	PJBBNUSXJZQAEP-ZFWWWQNUSA-N	319.405	1.719	50	20	DDGD	
COCC(Cc1ccccc1)=NNC(=O)Cn1nc(C)cc1C	814753417	WBTLFQVSGQFVRK-UHFFFAOYSA-N	314.389	1.861	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CSC[C@H]2CCCO2)cc1	727374954	CRGPDWLOJOENII-CYBMUJFWSA-N	319.386	1.231	50	20	DDGD	
O=C(NNc1ncncc1F)C(=O)Nc1ccc(C2CC2)cc1	815765914	IJGVUIAACPWHDY-UHFFFAOYSA-N	315.308	1.575	50	20	DDGD	
CN(C)CC(C)(C)CNC(=S)NNC(=O)c1ccccc1	727064942	FDSALVAJUFORLC-UHFFFAOYSA-N	308.451	1.383	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CC2CC(F)(F)C2)cc1	823671706	UAZVEVJLAOXSKU-UHFFFAOYSA-N	312.316	1.957	50	20	DDGD	
CC[C@H]1CCCN1CC(=O)NNC(=O)c1cccc(Cl)c1	727832984	GXBGUTSTFNOFGP-ZDUSSCGKSA-N	309.797	1.975	50	20	DDGD	
CN1CCCC[C@@H](C(=O)NNc2cc(F)c(F)cc2F)C1=O	821163968	QMWQYYMQZPSJEL-QMMMGPOBSA-N	315.295	1.806	50	20	DDGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NOCCO)c1C	490692653	HKCFIZPSWZRCDU-XNTDXEJSSA-N	305.378	1.852	50	20	DDGD	
COC(=O)N(C)CCNC(=O)NNc1c(C)cc(C)cc1C	822789324	DNTXDUHJTKRIQM-UHFFFAOYSA-N	308.382	1.936	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(F)c(C(F)(F)F)cc1F	823924326	ZBTVXJVZHSIRMO-ZCFIWIBFSA-N	312.238	1.941	50	20	DDGD	
CC(C)N1CCC[C@H]1C(=O)NNC(=O)c1cccc(Cl)n1	825348243	ZKRLEPQNSOOTOV-NSHDSACASA-N	310.785	1.369	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(OC)ccc1OC(F)(F)F	823889372	UGHDCPMWGHRMSD-UHFFFAOYSA-N	322.283	1.553	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)N1C[C@@H](CO)[C@@H](CO)C1	829152779	KARYFXRPRVZXKV-FRRDWIJNSA-N	319.492	1.760	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N(CCO)CCc2ccccc2)cn1	827752355	LTOJTBZJQVWCAS-GZTJUZNOSA-N	324.384	1.391	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccc2c1OCC[C@H]2OC	496742130	RWRZLQAEMJXLOU-LLVKDONJSA-N	309.322	1.939	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@H]3CN(C)CCO3)nc12	828362240	DTWNQSDCWSLWKQ-SNVBAGLBSA-N	306.391	1.378	50	20	DDGD	
OB(O)[C@H]1CCN(Cc2csc(COc3ccccc3)n2)C1	585077465	UNBUXRPCHTWYQR-LBPRGKRZSA-N	318.207	1.771	50	20	DDGD	
COc1ccc(C(=O)NNc2nc(-c3cccnc3)no2)cc1	728079047	IQXMJAREIXWGCY-UHFFFAOYSA-N	311.301	1.897	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)C1(C(=O)C2CC2)CC1	823051216	WIJAKZZRINRLPA-UHFFFAOYSA-N	314.385	1.916	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H]2Br)C[C@@H](C)S1=O	907700475	NQXINEBICWOBGE-SDNRWEOFSA-N	308.241	1.528	50	20	DDGD	
CCc1ccc(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)s1	825659984	DYWRQDGSWIBUJL-JOYOIKCWSA-N	311.407	1.566	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCCC[C@H]1C(=O)NCC(F)F	491053771	ZCTRJZIYVSPESC-USKTWTLRSA-N	315.320	1.193	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1oc(SC)cc1C	823809795	BTNGELXCMSLNEG-UHFFFAOYSA-N	301.368	1.290	50	20	DDGD	
O=C(NNS(=O)(=O)CCc1cccc(F)c1)C1CCC1	901893596	DTRPRNVCJUXRPA-UHFFFAOYSA-N	300.355	1.119	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N(CCO)C2CCSCC2)cn1	491012274	QSALWKGAXYYSBJ-JYRVWZFOSA-N	320.418	1.044	50	20	DDGD	
Cc1cccnc1[C@@H](NC(=O)c1cccc(B(O)O)c1)C(C)C	584947600	VYEHNIAGFDPBEU-HNNXBMFYSA-N	312.178	1.197	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccc(F)cc2)[C@H]2CCCC[C@@H]2N1	820682476	OHLKCCGVQJFZAS-RDBSUJKOSA-N	305.353	1.964	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=S)NC(C1CC1)C1CC1	734754638	IWCLBWONNXTEJV-UHFFFAOYSA-N	318.446	1.782	50	20	DDGD	
COCCCOc1cccc(/C=C(/C#N)S(=O)(=O)N(C)C)c1	588616151	UQHLWUFXGIVDBV-PTNGSMBKSA-N	324.402	1.858	50	20	DDGD	
CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)NNc2ccccc2)C1	734279268	YPQHBALOKMYQSE-JSGCOSHPSA-N	304.394	1.960	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1cc(F)c(F)c(F)c1	730430584	HVBSHCGAGFKANT-UHFFFAOYSA-N	313.279	1.567	50	20	DDGD	
CO[C@H](CC(C)C)CS(=O)(=O)NNC(=O)OC(C)(C)C	495993301	PZQANCDZYIQDQY-SNVBAGLBSA-N	310.416	1.407	50	20	DDGD	
CCCN(NC(=O)c1c(CO)noc1C)C(=O)OC(C)(C)C	496861320	AZVQQYZPDJAQSM-UHFFFAOYSA-N	313.354	1.767	50	20	DDGD	
C[C@H]1OC(=O)N[C@H]1C(=O)NNc1cc(C(F)(F)F)ccc1F	496243663	GRHXUWAAUPDVCZ-MLUIRONXSA-N	321.230	1.785	50	20	DDGD	
O=C(CCc1ccco1)NNC(=O)[C@H]1CCC[C@H](C(=O)O)C1	833103522	PNFJGLCNVJPHKS-QWRGUYRKSA-N	308.334	1.251	50	20	DDGD	
CCc1[nH]c(C(=O)NNc2nccnc2Cl)c(C)c1C(=O)O	737243520	GSFXLCYYHMWZPQ-UHFFFAOYSA-N	323.740	1.784	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)Nc2cccc(C)c2)nn1	738556503	VBYXLKZZEAUFDS-UHFFFAOYSA-N	317.374	1.425	50	20	DDGD	
O=C1CC[C@@H]2[C@H]1[C@H]2C(=O)NNc1ccnc(Br)c1	907450536	WYSBAKGTLMOETG-ONOSFVFSSA-N	310.151	1.512	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCc1cocn1)c1ccccc1	731220263	ANOGSVIYPHQDQC-UHFFFAOYSA-N	302.334	1.483	50	20	DDGD	
O=C(Cc1cccc(OCC(F)(F)F)c1)NNc1nc[nH]n1	839769186	IALBTTJJSNDUHE-UHFFFAOYSA-N	315.255	1.432	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1cnn(-c2ccccc2)c1	735411007	HDRSRESVSFKCPN-UHFFFAOYSA-N	308.345	1.760	50	20	DDGD	
O=C(O)NCCCC(=O)NNC(=O)CCCc1cccs1	739956830	MVBGTGIDMCHTHH-UHFFFAOYSA-N	313.379	1.266	50	20	DDGD	
COc1ccc(C=NNC(=O)c2cccnc2)cc1-c1nn[nH]n1	737080974	KBUWIEQLSRWXLS-UHFFFAOYSA-N	323.316	1.034	50	20	DDGD	
CCN(CCSC)CC(=O)NNC(=O)c1ccc(C#N)cc1	830999808	VRKHDJVHIVIRFA-UHFFFAOYSA-N	320.418	1.004	50	20	DDGD	
COc1cc(F)cc(C=NNC(=O)[C@H](C)CN2CCOCC2)c1	834935032	XNGZRXRRHXJXLA-GFCCVEGCSA-N	323.368	1.253	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc(Cl)ccc1O	917573432	VPHSRKBJGSICTJ-UHFFFAOYSA-N	301.799	1.953	50	20	DDGD	
C[C@H]1C[C@H]1c1ccc(CCC(=O)NNC(=O)N2CCOCC2)o1	745991895	JCVPLAHZPIMTIC-WCQYABFASA-N	321.377	1.409	50	20	DDGD	
C[C@H]1CN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C(C)(C)C1	839503214	GUIYDBUTVQHMGZ-GFCCVEGCSA-N	314.389	1.440	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@](C)(OC)C2CC2)c(F)c1	837207430	VVVAJZYCNVFIPX-OAHLLOKOSA-N	310.325	1.871	50	20	DDGD	
CC1(OCC(=O)NNc2nc(O)c3ccccc3n2)CCC1	746290704	QJXJMGLMIXHJFQ-UHFFFAOYSA-N	302.334	1.738	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1c(F)cccc1OC	748259148	GCGXKSIABOFGJD-NSHDSACASA-N	312.341	1.726	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)n1C	749173465	LHGOUBQHQJGXSB-UHFFFAOYSA-N	304.325	1.795	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCCn2ccnc2C)n1	746625189	HGWOGPZJHWEPRG-UHFFFAOYSA-N	304.354	1.222	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1(Cc2ccccc2)CC1	843652619	KFBNXSAKANASOM-JSGCOSHPSA-N	302.374	1.582	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1c[nH]c2ccc(F)cc12	748260331	RINBYLSMHHGWPF-SNVBAGLBSA-N	307.325	1.809	50	20	DDGD	
NS(=O)(=O)CCCCCC(=O)NNc1ccccc1Cl	845855104	UVPLOVJDMGCTKZ-UHFFFAOYSA-N	319.814	1.632	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	743625530	UGGHJWHAWKSSTI-NSHDSACASA-N	323.397	1.513	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCCC1=CCNCC1	841984279	ADBOBGVTBIJOAE-UHFFFAOYSA-N	320.368	1.008	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1ccccc1-n1ccnn1	842559066	HVUUZDSGUAYQQU-OCCSQVGLSA-N	313.361	1.533	50	20	DDGD	
CCO[C@H](C)c1ncc(C(=O)NNC(=O)c2ccc[nH]2)s1	742488763	FRVVJJZPDPYDLK-MRVPVSSYSA-N	308.363	1.644	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2c(C)noc2C)cc1	917030833	NGWMIOVZVSBBRZ-UHFFFAOYSA-N	300.318	1.689	50	20	DDGD	
Cc1ccn2cc(C(=O)NNC(=O)CC(F)(F)F)nc2c1	918366054	RUEZZVXREJRSMH-UHFFFAOYSA-N	300.240	1.356	50	20	DDGD	
NC(=O)[C@H]1CC[C@H]1C(=O)NNc1cc(Cl)cc(Cl)c1	847893504	CGEQKADWUBAPHY-VHSXEESVSA-N	302.161	1.948	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1CC(=O)NNC(=O)Cc1ccccc1F	746239134	DYHHTKSGVKMTPL-TXEJJXNPSA-N	307.369	1.388	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc2c(c1)CC(C)(C)O2	843774579	DZDRMUSOGABUOB-UHFFFAOYSA-N	321.377	1.381	50	20	DDGD	
COc1cc(C(C)=NNC(=O)[C@@H]2CCO[C@H]2C)c(OC)cc1O	842555195	QNBPWCANJVAJLZ-WDEREUQCSA-N	322.361	1.675	50	20	DDGD	
COc1ccc(C=NNC(=O)Cn2nc(C)cc2C)cc1C#N	741756872	RVXIPSHCQFVBPT-UHFFFAOYSA-N	311.345	1.531	50	20	DDGD	
CCOc1ccccc1CNC(=O)NNC(=O)CC(F)(F)F	919778967	OPUIBXZYJPTGTK-UHFFFAOYSA-N	319.283	1.868	50	20	DDGD	
Cn1cccc1CNC(=O)NNC(=O)c1cccc2ncccc12	743710571	RJXWDFMOUAGLCB-UHFFFAOYSA-N	323.356	1.718	50	20	DDGD	
COCC1(CNC(=O)NCCSSC)CCNCC1	841899221	AYKOXBJEKHJEBY-UHFFFAOYSA-N	307.485	1.313	50	20	DDGD	
C/C(=C/c1ccco1)C(=O)NNC(=O)Cn1nc(C)cc1C	847290607	URRPDLHFHWQTRG-YFHOEESVSA-N	302.334	1.344	50	20	DDGD	
COC(=O)C12CC(C(=O)NNC(=O)c3ccc(Cl)cc3)(C1)C2	843516050	MTXUFOZTUQLZMG-UHFFFAOYSA-N	322.748	1.444	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)c2c[nH]nc2C)c1	742070196	RTEZMKZVJVHFPS-UHFFFAOYSA-N	303.278	1.010	50	20	DDGD	
C=CCCOCC(=O)NNC(=O)CCc1ccc(OC)cc1	920462309	CIPGOHVEGJGXEW-UHFFFAOYSA-N	306.362	1.368	50	20	DDGD	
CC(C)C[C@@H](CN)NC(=O)NNC(=O)C(C)(C)c1ccccc1	841953636	KKKKVNAJBBXLQF-AWEZNQCLSA-N	320.437	1.668	50	20	DDGD	
CC(C)(N)CNC(=O)NNC(=O)c1cc2c(s1)CCCCC2	841949725	GJTHLJLBECAGGN-UHFFFAOYSA-N	324.450	1.698	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cc2c(s1)CCCC2	920286264	HCIRXUXEFBINQC-UHFFFAOYSA-N	308.403	1.815	50	20	DDGD	
Cc1cnc2cc(C(=O)NNC(=O)CC3CCCC3)ccn12	848369212	DUSWPAKIOUEUDG-UHFFFAOYSA-N	300.362	1.984	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H]2CCN[C@@H](C)C2)cc1	841985760	HBYVJKYIBKRDJF-SMDDNHRTSA-N	304.394	1.334	50	20	DDGD	
CC(C)[C@H](NC(=O)NNC(=O)c1ccccc1)c1cnn(C)c1	927411867	CIIITLPDXJIHGD-AWEZNQCLSA-N	315.377	1.761	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H](CO)CC2CC2)C[C@@H]1Br	856896449	CHQBYHFPLWFXOM-JFGNBEQYSA-N	305.216	1.620	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@H]2C=NNC(=O)c2ccnnc2)cn1	853358875	GRULXOWNVROUGF-SMDDNHRTSA-N	314.349	1.186	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CCc3nncn3C2)C[C@H]1Br	857386970	BIXHPJAZBJAKTP-KBVBSXBZSA-N	313.199	1.130	50	20	DDGD	
C[C@]1(CNC(=O)C2(CO)CCOCC2)C[C@H]1Br	857736416	LZNWJUAERKDJEP-MWLCHTKSSA-N	306.200	1.065	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)OCC(F)(F)F)c1	856021852	UMEQKGVJYDBIRY-UHFFFAOYSA-N	321.211	1.837	50	20	DDGD	
O=C(NN=C1CC[C@@H]1c1ccccc1)[C@@H]1CN2CCC[C@@H]2CO1	853389433	IVICGXGLRFAXDD-INMHGKMJSA-N	313.401	1.899	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=Cc1ccc(O)cc1	853410540	QTFMPAZCFMEDJV-UHFFFAOYSA-N	305.378	1.785	50	20	DDGD	
NC(=O)[C@@H](Cc1ccccc1)NNC(=O)c1ccccc1F	758144361	TYTXNDNEGQHKLE-CQSZACIVSA-N	301.321	1.157	50	20	DDGD	
COC[C@H](NCC(=O)NNC(=O)c1cccc(C)c1)C(C)C	754386652	WCRDLZJBWPOIAO-AWEZNQCLSA-N	307.394	1.017	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCN(C)C(=O)C2)c1C	855627971	JNVHIEMHJWFMGT-NSHDSACASA-N	319.361	1.093	50	20	DDGD	
CO[C@@]1(C)C[C@H]1NC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	852686972	CVECDZLSUGNGAT-DOMZBBRYSA-N	321.381	1.266	50	20	DDGD	
CCn1nc(C)c(CNC(=O)NNc2ccc(Cl)cn2)n1	852387398	RWHCNUGMYLBAQY-UHFFFAOYSA-N	309.761	1.481	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NNc2ncccc2[N+](=O)[O-])C1	857860401	MCJPHBSJWGKTRT-WPRPVWTQSA-N	316.321	1.522	50	20	DDGD	
CNC(=S)N(C)NC(=O)CNc1cccc(C(F)(F)F)c1	854924280	SPFPABNHLWJPGM-UHFFFAOYSA-N	320.340	1.585	50	20	DDGD	
CCCCc1ccc(CC(=O)NNC(=O)c2cc[nH]n2)cc1	855361655	GIVGWTHHSQQXCA-UHFFFAOYSA-N	300.362	1.756	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)C[C@@H](C)c2ccco2)n1	858148617	FBAWRNYJMNLGJP-SNVBAGLBSA-N	304.350	1.434	50	20	DDGD	
Cn1nccc1COCC(=O)NC[C@@]1(C)C[C@H]1Br	857388750	VSJKANYXVICCLD-ZYHUDNBSSA-N	316.199	1.226	50	20	DDGD	
C=C(CBr)CN1CCOC[C@H]1C(=O)OC(C)(C)C	852241165	YWHGGRAWZOKTQH-NSHDSACASA-N	320.227	1.980	50	20	DDGD	
CCc1nc(C)c(CNC(=O)NNC(=O)c2cccc(F)n2)o1	852353609	BQHDZUWXNYEZAP-UHFFFAOYSA-N	321.312	1.224	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCCO[C@@H]1CCCCO1	854552576	VNFQNHYFGYLCRX-SYCZXOQXSA-N	316.357	1.959	50	20	DDGD	
CC(=O)N1CCC(=NNC(=O)N2CCOCC2)c2ccccc21	857207326	UWXIQKOCZRMNTG-UHFFFAOYSA-N	316.361	1.189	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)c2ccccc2F)ncn1	757049146	GUHBYJFBSWZSPV-UHFFFAOYSA-N	303.297	1.068	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@@H](COC)c1ccc(CC)o1	754348614	UIPQYVKRWHCIBB-PWSUYJOCSA-N	311.382	1.065	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)c2cccn2C)cnn1CC(C)C	757801165	HZJCOAGWIYJERU-UHFFFAOYSA-N	318.381	1.653	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H](O)c1cccc(C(F)(F)F)c1	854921455	RTVFIEHOYOOFDW-VIFPVBQESA-N	321.324	1.206	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNC(=O)[C@H]1COc2ccccc2O1	858122149	QNYWKVUHLDGDIX-UONOGXRCSA-N	322.361	1.179	50	20	DDGD	
Cc1nc(C)c([C@@H](C)N(C)C(=O)NNC(=O)c2cn[nH]c2)s1	858704664	OOVVJORGJHZFEL-MRVPVSSYSA-N	322.394	1.530	50	20	DDGD	
N#CSCCCNC(=O)c1ccnc(NC(=O)C2CC2)c1	854360052	FWSNNHDYGIHZGN-UHFFFAOYSA-N	304.375	1.764	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCCc2ccco2)n1	852293255	LAFMZMWZVZOOAC-UHFFFAOYSA-N	302.334	1.560	50	20	DDGD	
CCO[C@H]1COCC[C@@H]1NC(=O)NNC(=O)c1ccccc1C	759212351	XNQUCVHAYJOFPD-KBPBESRZSA-N	321.377	1.133	50	20	DDGD	
COCCC1(C=NNC(=O)CS(C)(=O)=O)CCCCC1	863186642	GKSSOUAAZZMIMW-UHFFFAOYSA-N	304.412	1.120	50	20	DDGD	
CCCCO[C@H]1CC(=NNC(=O)CS(C)(=O)=O)C1(C)C	863187386	JRIGEHLYWFOQOQ-NSHDSACASA-N	304.412	1.118	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H]2CCC[C@H](C(N)=O)C2)c1	862477633	OWFOIQJPUAKKCK-UWVGGRQHSA-N	309.391	1.109	50	20	DDGD	
CC1CCN(CC(=O)NNc2oc(C(C)C)nc2C#N)CC1	762171026	GTVSFQCZJDNQDZ-UHFFFAOYSA-N	305.382	1.845	50	20	DDGD	
COC1CC(C(=O)NNC(=O)c2cc3ccccc3cc2O)C1	863853299	VRRMRRCUMIIWPJ-UHFFFAOYSA-N	314.341	1.731	50	20	DDGD	
COCC[C@](C)(O)CNC(=O)[C@@H](Br)C(C)(C)C	768202274	XPYPNQWRDLDBCN-SKDRFNHKSA-N	310.232	1.700	50	20	DDGD	
COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)NCC(Cl)Cl	867470603	RAKCAYGWNAPNGE-YUMQZZPRSA-N	318.222	1.441	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccn2C)cc1C1CC1	766372866	GJJXOXHMGDNCRN-UHFFFAOYSA-N	313.357	1.986	50	20	DDGD	
Cc1nc(C(C)C)nc(O)c1C(=O)NN=c1cc[nH]cc1Cl	768452656	PQXOEKWBWWEABQ-UHFFFAOYSA-N	321.768	1.841	50	20	DDGD	
CCc1cccnc1C(=O)NNC(=O)CCc1ccccc1O	766555846	MYMMSZQVMRGKTH-UHFFFAOYSA-N	313.357	1.743	50	20	DDGD	
O=C1OCc2ccc(S(=O)(=O)NCC(Cl)Cl)cc21	867471658	OSRWLZBUIWHLQC-UHFFFAOYSA-N	310.158	1.439	50	20	DDGD	
CC(=O)N1CCC[C@H](CNS(=O)(=O)CC(C)(C)CCl)C1	867215922	YQHCPHSVPNQYFT-GFCCVEGCSA-N	324.874	1.429	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H]2CCC(=O)[C@H](C)C2)cc1	763273690	OMSGRXGFFVQVHU-OLZOCXBDSA-N	317.389	1.560	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H]1CCN1C1CCCC1)C1CC1	863205032	OVTKBEVPDFJQOI-GXFFZTMASA-N	310.467	1.297	50	20	DDGD	
COc1ccc2c(c1)[C@H](C(=O)NNc1ncc(F)cn1)CC2	762188445	IUGMSHYFUFAERY-GFCCVEGCSA-N	302.309	1.797	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNC(=S)Nc1cccc(C)c1	761362874	VOBODMAMONBBDX-VIFPVBQESA-N	310.379	1.057	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1COCCN1C1CCCC1)C(F)(F)F	862317328	KMPWCJZWVNTFLH-ONGXEEELSA-N	309.332	1.201	50	20	DDGD	
O=C(Nc1nc(C2CCC2)cs1)c1cccc(B(O)O)c1	863881494	OXEDBCJDAOGHCM-UHFFFAOYSA-N	302.164	1.343	50	20	DDGD	
O=C(CN1CC[C@@H](C2CC2)C1)NNC(=O)c1cccc(Cl)c1	764485598	RRLLOIJJIHMTKI-CYBMUJFWSA-N	321.808	1.833	50	20	DDGD	
C[C@H](C(=O)NNc1ncccn1)n1ccc(C(F)(F)F)n1	864768574	IPQWRGJPRKCQKG-SSDOTTSWSA-N	300.244	1.396	50	20	DDGD	
O=C(NN=Cc1cnc(C2CCC2)s1)C(=O)N1CCCC1	760254273	NZGYMUSFBSCEFK-UHFFFAOYSA-N	306.391	1.483	50	20	DDGD	
COC(=O)[C@H]1CCN(S(=O)(=O)CC(C)(C)CCl)[C@@H]1C	867168066	ZWROODYZEDGKLO-ZJUUUORDSA-N	311.831	1.465	50	20	DDGD	
CCn1nc(C=NNC(=O)NCCCOC)c2ccccc21	769780320	MUILYVUCFDZJEU-UHFFFAOYSA-N	303.366	1.726	50	20	DDGD	
COc1ccccc1NC(=O)C(=O)NNC(=O)c1ccccc1	763426255	UZWHGOIGDSFDNC-UHFFFAOYSA-N	313.313	1.095	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)NC1CC=CC1	761742361	WPOONRMUPSEKPH-UHFFFAOYSA-N	321.402	1.836	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1cccc(OC(F)F)c1	763817134	BYAKFCLFVYXTRP-UHFFFAOYSA-N	315.276	1.030	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)[C@H](C)[C@H](C)S(C)(=O)=O	1118023869	VGQKCZGACJYWHE-ZJUUUORDSA-N	302.371	1.646	50	20	DDGD	
CCC(=NNC(=O)COCCOC)c1ccc(N(C)C)cc1	872401970	PQINDAROPZHSRW-UHFFFAOYSA-N	307.394	1.646	50	20	DDGD	
CN(C)CC(=O)NN=Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	872347859	GYNFGZHMJQBQOT-UHFFFAOYSA-N	318.255	1.625	50	20	DDGD	
COCC(=O)NN=Cc1cccn1-c1ccc([N+](=O)[O-])cc1	761816829	GCEPLDIJVGPXNY-UHFFFAOYSA-N	302.290	1.482	50	20	DDGD	
Cc1nc(C)c(NC(=O)C(=O)NNc2cccc(C#N)c2)s1	773699240	PKQIQWAJOPRXDK-UHFFFAOYSA-N	315.358	1.713	50	20	DDGD	
CCn1nccc1C(=O)NN=c1sc2ccccc2n1C	775776483	IDFUECXZPDVNDA-UHFFFAOYSA-N	301.375	1.702	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H](OC)C(C)C	873769162	LRXDBFCMJBLZSW-LBPRGKRZSA-N	311.407	1.684	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@@H](F)Cc2ccccc2)c1	777981072	KAHCRWOHJLFWEG-HNNXBMFYSA-N	311.316	1.900	50	20	DDGD	
Cc1nc2ccccc2n1CCC(=O)NNc1ncc(F)cn1	773517393	PGOAIXBOKZWGOP-UHFFFAOYSA-N	314.324	1.807	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@H]2C[C@@H]3CCCCN3C2=O)n1	875658588	ZCIADFMSQRVLNX-RYUDHWBXSA-N	303.366	1.170	50	20	DDGD	
CC(C)[C@@](C)(O)C(=O)NNC(=O)c1cc(-c2ccccc2)on1	771113658	HZANIUDPNZIYRI-MRXNPFEDSA-N	317.345	1.510	50	20	DDGD	
COCC1(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)CC1	778530294	MXMKGXMUTJDLAD-UHFFFAOYSA-N	306.406	1.777	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNc3ccc(F)cn3)(CC1)C2	874648508	RKZHEJLSDRDWHG-UHFFFAOYSA-N	307.325	1.787	50	20	DDGD	
COC(=O)c1cccc(NC(=O)NNc2nccc(OC)n2)c1	775501437	QFPDIXNZASHRKP-UHFFFAOYSA-N	317.305	1.420	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)n1	875292924	DBFAGXWXDRESAM-QWHCGFSZSA-N	319.409	1.663	50	20	DDGD	
N#CSCCCNC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O	773584716	IHDJKJLTDYSKIA-JGVFFNPUSA-N	309.313	1.164	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C	875587599	OYQZGLQUYHAJDD-TZMCWYRMSA-N	320.393	1.562	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1ccn(C)n1	772968655	RWHKNICVVIJOPL-VIFPVBQESA-N	322.752	1.302	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C(C)(C)COC)c1	874950059	MXSYOBOMXCCPKW-UHFFFAOYSA-N	305.403	1.658	50	20	DDGD	
CSC[C@@H](C)NC(=O)NNC(=O)c1nc2ccccc2s1	872899572	GIWCKLUSTFFOMN-MRVPVSSYSA-N	324.431	1.992	50	20	DDGD	
CCC1(O)CCC(NC(=O)NNc2nc(C)cc(OC)n2)CC1	772080996	IAKRMLQPRVNXJE-UHFFFAOYSA-N	323.397	1.503	50	20	DDGD	
CC(C)(C)CN(CCC#N)CC(=O)NNC(=O)c1cccs1	777589189	RESXEAXRJCWZFK-UHFFFAOYSA-N	322.434	1.771	50	20	DDGD	
OCCOCc1cn([C@]2(Cl)C[C@@H]2CCBr)nn1	881383321	UKFQCXQSHPCIRC-WCBMZHEXSA-N	324.606	1.484	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1cnc2[nH]cnc2c1	774780471	YOPQGRQDTYXUJQ-UHFFFAOYSA-N	305.301	1.658	50	20	DDGD	
O=C(NCc1cccc(F)c1F)NNC(=O)C1CCOCC1	883754608	OSQFKSAHCGHSSB-UHFFFAOYSA-N	313.304	1.222	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)[C@H](NS(C)(=O)=O)C(C)C	771698154	ZWCURZKGVDMKDE-LLVKDONJSA-N	317.386	1.151	50	20	DDGD	
O=C(COC(=O)C1[C@@H]2CCC[C@@H]12)NNC(=O)c1ccccc1	776702842	NTDLDVUZXZNXLI-VXGBXAGGSA-N	302.330	1.037	50	20	DDGD	
CC(=O)NC1CCC(C(=O)NNc2ccc(Cl)cn2)CC1	1123834062	WWDYHFZAJFPWKZ-UHFFFAOYSA-N	310.785	1.873	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNc1c(F)cc(F)cc1F	885153790	PUINKTZYYUCLEA-MRVPVSSYSA-N	303.284	1.695	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cccnc1OCC(F)F	887145769	QMXBSUUKXYIDBO-UHFFFAOYSA-N	311.288	1.290	50	20	DDGD	
CN(C)c1ccc(F)cc1NC(=O)NNC(=O)C1CCOCC1	880940944	QOMPYJXHERDROB-UHFFFAOYSA-N	324.356	1.471	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@@H]1CCc2nccn2C1	787127822	VLVUQEUYDMOEMJ-SECBINFHSA-N	314.374	1.594	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2(C(=O)C3CC3)CC2)cc1O	882050456	BCAXHNZQBMCNSR-UHFFFAOYSA-N	302.330	1.221	50	20	DDGD	
O=S(=O)(CCCCl)NCCOc1ccc(Cl)cn1	881988837	OAQFULZRYPOMDG-UHFFFAOYSA-N	313.206	1.662	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1sc([C@@H]2CCOC2)nc1C	887153343	RLVVPIHJSUTGGV-LLVKDONJSA-N	321.402	1.520	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1ccc(Cl)cn1	884402147	LHVJGZHWPOLDMT-LLVKDONJSA-N	310.785	1.153	50	20	DDGD	
Cn1nc(Br)cc1C=NNC(=O)NCC1CC1	782214381	IQOPLHHZWYAILC-UHFFFAOYSA-N	300.160	1.226	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)N1CC[C@@H](CF)C1	883460756	FTLUOZKGJGHTFS-LBPRGKRZSA-N	309.341	1.488	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)OCCCn2ccnc2)cc(C#N)n1C	782630272	ZGGANSOPCXJQAE-OVCLIPMQSA-N	323.356	1.942	50	20	DDGD	
CCn1cc(CC(=O)Oc2ccc([N+](=O)[O-])cc2OC)cn1	781465672	VUOASUUAPWABQI-UHFFFAOYSA-N	305.290	1.968	50	20	DDGD	
CO[C@]1(C(=O)NNc2ccc([N+](=O)[O-])cc2F)CCSC1	898715129	XJZHCWGUHPONNO-GFCCVEGCSA-N	315.326	1.699	50	20	DDGD	
COc1cccc(NNC(=O)c2cn(C)nc2-c2cccnc2)n1	780771291	IAUZYUUZMBOZAY-UHFFFAOYSA-N	324.344	1.643	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@@H]1CCN(c2ccccc2F)C1	793673843	OZNVLLQXJDHFLR-KXXVWKPMSA-N	303.337	1.965	50	20	DDGD	
CCc1cncc(C(=O)NNc2cccc(S(C)(=O)=O)c2)c1	790013358	CTBFEVFCPUCUFK-UHFFFAOYSA-N	319.386	1.804	50	20	DDGD	
C=C(CBr)CN1CCN(CCC(=O)OC)C[C@@H]1C	791493005	PEWMOVBAWYOWMO-LBPRGKRZSA-N	319.243	1.507	50	20	DDGD	
COC(=O)C[C@H]1CCC(=NNC(=O)Cc2cccnc2)[C@@H]1C	794508741	RPXKSAORECSMSO-DGCLKSJQSA-N	303.362	1.706	50	20	DDGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2ncnn2C)cc1	899369246	SHOOHPSXPYGPSL-JYVXZMADSA-N	311.345	1.608	50	20	DDGD	
CCOCC(=O)NN=C1c2ccccc2CC12CCOCC2	794910008	WALWQRXWNKNYAI-UHFFFAOYSA-N	302.374	1.896	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H](O)c1cccc(C(F)(F)F)c1	795792865	OULAMKZZEJXVOE-JTQLQIEISA-N	319.283	1.478	50	20	DDGD	
COC1CCC(CC(=O)NNC(=O)c2cccc(C)n2)CC1	794086722	WAEUQMYGRNBFPY-UHFFFAOYSA-N	305.378	1.746	50	20	DDGD	
Cn1cc2c(n1)CCC[C@@H]2C(=O)NNc1ncncc1Cl	798995933	RUMKPNPFRPYTGS-QMMMGPOBSA-N	306.757	1.427	50	20	DDGD	
COc1cc(C(=O)NNC(=O)NCC2CC2)cc([N+](=O)[O-])c1C	790513417	ISZABPGQTCVVFI-UHFFFAOYSA-N	322.321	1.266	50	20	DDGD	
Cc1ccc(-n2cnnc2)c(C(=O)NNC(=O)C(C)(C)C)c1	797829593	OBPVUXNVWJJZLH-UHFFFAOYSA-N	301.350	1.383	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNC(=O)NC2CCCCC2)c1C	794212741	ULJFOBCVOOVUME-UHFFFAOYSA-N	321.425	1.725	50	20	DDGD	
COc1cc(NNC(=O)c2ccc(=O)n(C)c2)ccc1Cl	790171125	FJFCQVXQDQDGKV-UHFFFAOYSA-N	307.737	1.804	50	20	DDGD	
O=C1NC[C@H]2CN(Cc3ccc(OCCCCl)cc3)CCN12	798184755	DSZIKXYTYYLQNR-AWEZNQCLSA-N	323.824	1.904	50	20	DDGD	
C[C@@H]1CSCC1=NNC(=O)c1ccc(-n2cnnn2)cc1	794881404	JXFNMFDPHHOUGX-SECBINFHSA-N	302.363	1.131	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@H]1Cc2ccc(F)cc21	792821294	DCJNXENSCDYBQD-HNNXBMFYSA-N	316.307	1.995	50	20	DDGD	
O=C(NCCC1CCOCC1)NNC(=O)c1ccccc1O	1318839736	PWBQSDOFZFKFFS-UHFFFAOYSA-N	307.350	1.153	50	20	DDGD	
Cc1ccc(C2=NN=C/C2=C/NNC(=O)C[n+]2ccccc2)cc1	1317726189	LTKOFMVRCJJKTO-UHFFFAOYSA-O	320.376	1.276	50	20	DDGD	
C[C@H]1SCC[C@@H]1NC(=O)NNc1nncc(N)c1Cl	1328161443	QTLRKPJPKHLHTI-VDTYLAMSSA-N	302.791	1.232	50	20	DDGD	
CC(C)(C)c1ccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)nn1	1325358897	JYXRRLBDDMDHGT-JTQLQIEISA-N	321.381	1.496	50	20	DDGD	
Cc1ccsc1CCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C	1329239498	KWTBSQDLCVNSNR-QWRGUYRKSA-N	311.407	1.354	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)NCCc2cccs2)nn1C	1323643945	HXDCTVDTJAYWDR-UHFFFAOYSA-N	321.406	1.231	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2nncc(N)c2Cl)cc1O	1321689205	JMKDWCRVQYVLLR-UHFFFAOYSA-N	304.697	1.046	50	20	DDGD	
C[C@@]1(C(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)C[C@H]1Br	1332664839	GNUKBIKVNRJPKK-JXVAYASWSA-N	317.183	1.117	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@@]2(F)CCOC2)c1C	1258436599	IUUINKCAJXUTAC-BLLLJJGKSA-N	324.352	1.347	50	20	DDGD	
O=C(NN=Cc1ccc(O[C@H]2CCOC2)cc1)C1CCOCC1	1336993248	WSEFHGALDVBWFI-INIZCTEOSA-N	318.373	1.731	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H](C)c2ncccc2C)n1	1340104491	HEYPJMBYVDSXBC-LBPRGKRZSA-N	313.361	1.799	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)N[C@@H]2CCO[C@H]2C2CC2)nn1	1357939445	UZQFJZLNULIQBJ-RISCZKNCSA-N	319.409	1.968	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)c1cccc(N(C)C)c1	1354039684	AMKMYFQYAGISAZ-UONOGXRCSA-N	305.378	1.329	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCCCC(=O)C(=O)O	1601045636	GXWJFGDUCKGFLD-DHZHZOJOSA-N	303.270	1.276	50	20	DDGD	
CC(C)(C)n1cnc(C(=O)NNc2cccc(F)c2C(=O)O)n1	1603568398	SZEUTQWDQKZWBK-UHFFFAOYSA-N	321.312	1.627	50	20	DDGD	
Cc1c(NNC(=O)c2c(O)cccc2O)cccc1C(=O)O	1600055613	GNUSEWBBEXWCHH-UHFFFAOYSA-N	302.286	1.861	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2C[C@H](C(=O)O)C2)c1C	1606618221	NVRJFCRSOVTESQ-MGCOHNPYSA-N	321.333	1.271	50	20	DDGD	
CC[C@](COC)(NC(=O)[C@@H](Br)C(C)(C)C)C(=O)O	1605047198	HIQNLZZFMNEMNM-PRHODGIISA-N	324.215	1.792	50	20	DDGD	
Cn1cnc(CCNC(=O)NNc2ccc(C(=O)O)cc2F)c1	1600988868	KXBBGUKLSZMITJ-UHFFFAOYSA-N	321.312	1.126	50	20	DDGD	
O=C(O)CCC[C@H]1CCCC(=NNC(=O)C(=O)N2CCCC2)C1	1601980327	KPKFRQFTDPQGSZ-GFCCVEGCSA-N	323.393	1.526	50	20	DDGD	
Cc1cccc2c1O[C@H](C(=O)NNc1ccc(C(=O)O)cn1)C2	1600558205	FVPFSWARCXCUQJ-LBPRGKRZSA-N	313.313	1.535	50	20	DDGD	
Cc1nc([C@H](C)NC(=O)NNc2ccc(C(=O)O)cc2F)no1	1600687766	MBZPFNYHELDQBP-LURJTMIESA-N	323.284	1.603	50	20	DDGD	
Cn1c(C(=O)O)ccc1C(=O)NNC(=O)c1ccccc1Cl	1608083678	NDRDJRLVWMDDRY-UHFFFAOYSA-N	321.720	1.452	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2cc(C(=O)O)ccc2F)cn1	1600944964	CQYLDULMQHAXBV-NYYWCZLTSA-N	314.276	1.803	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)NC[C@@H]2CCCCO2)cc1	1602128198	NSBPUCPGSIZNIT-ZDUSSCGKSA-N	307.350	1.509	50	20	DDGD	
CCCNC(=O)NN=CCCc1ccc(-c2nn[nH]n2)cc1	1604222360	SHSNQKQPXMXDDR-UHFFFAOYSA-N	301.354	1.494	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1cccn1Cc1cccs1	1608754574	PIDMJTVNXJKKHX-UHFFFAOYSA-N	306.347	1.316	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2ccc(C(F)(F)F)nn2)[nH]1	1608875135	PXHAXJPQFPZAFD-UHFFFAOYSA-N	315.211	1.279	50	20	DDGD	
COc1cccc(C=NNC(=O)NCC(=O)O)c1OC(F)F	1607317378	MVVSVWBVXNFXHM-UHFFFAOYSA-N	317.248	1.014	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)CSC(F)F	1610287883	QOUZHMWGUQHZFZ-UHFFFAOYSA-N	306.290	1.792	50	20	DDGD	
O=C(NN=Cc1ncc(Cl)s1)[C@H]1CN2CCC[C@H]2CO1	1549318221	AQQGEBSWCBZFTJ-DTWKUNHWSA-N	314.798	1.110	50	20	DDGD	
Nc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)cc1Cl	1549316399	FYGPWEQBAGJVGT-SMDDNHRTSA-N	322.796	1.236	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccnn1C)c1ccc[nH]1	1549316257	OENKPGJHELOPPY-DOMZBBRYSA-N	315.377	1.756	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)c1cnc(N)s1	1578506209	HOYCVGIRZZOHDD-UHFFFAOYSA-N	306.347	1.639	50	20	DDGD	
O=C(NNc1ccc(F)cc1Br)[C@]1(F)CCNC1	1574333685	HTIPLFOGXCCNDQ-NSHDSACASA-N	320.137	1.733	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H]2CC[C@@H](N)C2)c1F	1578878524	ZSIQLIAZLMYETB-VHSXEESVSA-N	324.356	1.366	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)[C@@H](N)c2ccccc2)nc(N)n1	1579636289	ZQPNYJYVCRFUNH-ZWNOBZJWSA-N	300.366	1.146	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cccc(N)n2)cc1F	1578873026	SDDGZZGXAHHLFT-UHFFFAOYSA-N	304.281	1.346	50	20	DDGD	
C[C@@]1(CCC(=O)NNc2ccc(C(=O)O)c(F)c2)CCC(=O)N1	1594003395	VGJJYBJXTABSKV-HNNXBMFYSA-N	323.324	1.416	50	20	DDGD	
Cn1ncc(C(=O)O)c1CNC[C@]1(C)C[C@H]1Br	1594579973	BAOFQHOMDOOEBX-KOLCDFICSA-N	302.172	1.381	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)Nc1cccnc1C(=O)O	1594780572	XXELNZYYBAJIKF-UHFFFAOYSA-N	317.261	1.837	50	20	DDGD	
O=C(NN=C[C@@H]1CCCOCC1)c1cccc(-c2nn[nH]n2)c1	1593155627	VSZSMSHBBOYCDR-LLVKDONJSA-N	314.349	1.399	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNc1cccc(-c2nn[nH]n2)c1	1591372480	IMPQUWXIKLHLGK-ZJUUUORDSA-N	304.354	1.228	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCc2ccc(C(=O)O)cc2C1	1596859612	FMUKQCIZEQETRY-UVTDQMKNSA-N	300.314	1.713	50	20	DDGD	
Cc1c(C(=O)NN(C)c2ccccn2)cccc1-c1nn[nH]n1	1591809947	YMGUNAZDKDSJIW-UHFFFAOYSA-N	309.333	1.351	50	20	DDGD	
COC(=O)c1coc(C(=O)NNc2cccc(C(=O)O)c2)c1	1599013869	ZZOAJXMLXABVIO-UHFFFAOYSA-N	304.258	1.521	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=Cc2ccc([N+](=O)[O-])cn2)c1	1776095676	NARYZIQBIKRMEN-UHFFFAOYSA-N	314.257	1.452	50	20	DDGD	
O=C(Cc1ccccc1O)NN=Cc1ccc(O)c(C(=O)O)c1	1776094113	BSFJVKPWJSZSEL-UHFFFAOYSA-N	314.297	1.489	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1cccc(OC(F)F)c1	17328917	HGJGFJMFVNZFHS-UHFFFAOYSA-N	307.256	1.758	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1cc(-c2ccncc2)ccc1C	161156002	DOAXXJZEFIAAKD-UHFFFAOYSA-N	312.329	1.163	50	20	DDGD	
Cc1ccc(C(=O)C(=O)NNC(=O)c2ccc(C)cc2O)cc1	160106799	WVMBTZGEFJDRNW-UHFFFAOYSA-N	312.325	1.653	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)CCl	867604121	FPRVZQGJINYIEQ-IUCAKERBSA-N	312.819	1.500	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccsc1	57659521	BEVWRIBGNUPHGC-LBPRGKRZSA-N	304.327	1.349	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@@H]1Cc2ccccc2C(=O)O1	103198400	ALTWGSXBWGJEOT-LBPRGKRZSA-N	304.346	1.352	50	20	DDGD	
CC[C@H](NC(=O)NNc1nc(C)cc(OC)n1)c1ccncc1	175564923	RQKULAMPUYIGKM-LBPRGKRZSA-N	316.365	1.966	50	20	DDGD	
CCCCOCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	118492835	FMOHAVREVPXYOA-UHFFFAOYSA-N	316.361	1.654	50	20	DDGD	
Cc1cc2nc(C)c(CCC(=O)NNC(=O)C3CC3)c(C)n2n1	26969112	WPTYPKYVTGKJLW-UHFFFAOYSA-N	315.377	1.145	50	20	DDGD	
Cc1ccc(NNC(=O)NCCc2sc(C)nc2C)nn1	108446229	IWONFVMTLPCFKK-UHFFFAOYSA-N	306.395	1.727	50	20	DDGD	
CS[C@H](C(=O)NNC(=O)c1cccn1C)c1ccccc1	172496998	YXGJWANAPSKOSE-ZDUSSCGKSA-N	303.387	1.890	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cn(C)nc1-c1ccccc1	179704138	CVFQMEBZTSFKTD-GXDHUFHOSA-N	310.357	1.757	50	20	DDGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cn(C)c(=O)n(C)c2=O)c1C	171389849	YAKZHJQEIBTDDL-MDWZMJQESA-N	323.352	1.491	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)COC[C@@H]2CCCO2)nn1	118525129	MPCBXHKULNKYPY-NSHDSACASA-N	308.382	1.413	50	20	DDGD	
CN(CCNC(=O)NNc1ncccn1)Cc1ccc(F)cc1	175954063	BEDFNIOSMSIKIX-UHFFFAOYSA-N	318.356	1.374	50	20	DDGD	
CO[C@H](C)CC(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	170899142	KUZQZBHKZGGZRQ-MRVPVSSYSA-N	322.333	1.551	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCOC1)c1cccc(Br)c1	174538253	QPOLXHCIQDTTGI-SECBINFHSA-N	313.151	1.247	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CCC1CCOCC1	173274825	WLTLZMMVLGLLAR-UHFFFAOYSA-N	306.362	1.663	50	20	DDGD	
O=C(NNC(=O)[C@]1(F)CCOC1)c1cc(-c2ccccc2)on1	1261216044	ARPCOFCOMQQVKU-HNNXBMFYSA-N	319.292	1.231	50	20	DDGD	
CCNC(=O)NNC(=O)CCc1nc(-c2ccccc2)no1	65190825	WBNGLMWBGKCEIX-UHFFFAOYSA-N	303.322	1.020	50	20	DDGD	
CCCCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	67235911	BQYBXIYIRWMZND-UHFFFAOYSA-N	322.365	1.043	50	20	DDGD	
O=C(NNC(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2)Nc1ccc(Cl)cc1	1346865588	OJNJGEVLFKJMPJ-QJPTWQEYSA-N	324.768	1.996	50	20	DDGD	
Cc1cc(NNC(=O)COc2ccc(F)cc2F)nc(C)n1	172375403	CIHBRMJEPVGIBM-UHFFFAOYSA-N	308.288	1.894	50	20	DDGD	
O=C(NNc1ncccn1)C1=NN(c2ccccc2)C(=O)CC1	123944114	HLMNMTRZDTUYQI-UHFFFAOYSA-N	310.317	1.103	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@@H](CC)OC	67810862	CDLJHKVWNDGNSP-LLVKDONJSA-N	310.350	1.037	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCCC2=CCCCCC2)cn1	184095817	SQPPTACVMUUPEI-UHFFFAOYSA-N	305.382	1.645	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1cc(=O)[nH]c2cc(F)ccc12	182463930	NTMXDVWLDCIKLR-UHFFFAOYSA-N	316.267	1.958	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1ccc(C#N)c(Cl)c1	182340427	ZOXMUJJCDKLZOF-UHFFFAOYSA-N	310.741	1.791	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	77688034	BNSGGLFYFQZCGC-UHFFFAOYSA-N	315.358	1.552	50	20	DDGD	
O=C(NNc1ccccn1)Nc1cc(-n2cnnn2)ccc1F	180387847	XDGMTOZCLUFVLB-UHFFFAOYSA-N	314.284	1.345	50	20	DDGD	
CCc1ccnc(C(=O)NNC(=O)NCCc2cccs2)c1	181793430	HARZWCAIUDRXJN-UHFFFAOYSA-N	318.402	1.892	50	20	DDGD	
CC(C)Cn1cc(C(=O)NNC(=O)c2ccccc2O)cn1	180324760	FGTGQBIUPHPFET-UHFFFAOYSA-N	302.334	1.320	50	20	DDGD	
COc1cccc(NNC(=O)c2cccc(OCC(F)F)n2)n1	180728121	LOJNDHFLHZDPFE-UHFFFAOYSA-N	324.287	1.886	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	121969014	BDEWMPXPTVTOMJ-SSDOTTSWSA-N	319.314	1.090	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNC(=O)c2cccn2C)s1	72753762	JUIURNMJRQTXBB-UHFFFAOYSA-N	319.386	1.819	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)CCc2ccncc2)c1	181126542	UIUREAWAGRJNDV-UHFFFAOYSA-N	319.386	1.561	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1ccc2oc(=O)ccc2c1	77708801	KSEJAFFDUDEPBJ-UHFFFAOYSA-N	324.358	1.149	50	20	DDGD	
C=C[C@@H](C)NC(=O)NNC(=O)c1cc(Br)c[nH]1	136900757	VTHAPWDEYWKKKY-ZCFIWIBFSA-N	301.144	1.296	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1cn2ccccc2n1)C1CCC1	131368360	ABKQGBVZAWUYNV-LLVKDONJSA-N	315.377	1.396	50	20	DDGD	
O=C(NN=C(c1ccccc1)c1ccccc1)c1n[nH]c(=O)[nH]1	80209176	ACKJEWONCDLBAI-UHFFFAOYSA-N	307.313	1.280	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1	192155460	WPTZPUMXLFWRDQ-UHFFFAOYSA-N	314.320	1.780	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc([N+](=O)[O-])cc1Cl	131814268	WQSWCSODRRXLEH-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
O=C(NNc1nc2ccccc2c(=O)[nH]1)c1cccc(Cl)n1	137176326	BHEIXOTYYHCZKW-UHFFFAOYSA-N	315.720	1.728	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccc(F)cc2C1)c1ccncc1	134514107	JIFDQIJTLVFCDG-GFCCVEGCSA-N	315.304	1.233	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCCc3c(O)cccc32)[nH]n1	190922147	FQYBRJHIQBYSSI-GFCCVEGCSA-N	314.345	1.305	50	20	DDGD	
C[C@@]1(NNC(=O)NCCCC2CCCC2)CCS(=O)(=O)C1	46873015	QULCSWLYZKQCOS-CQSZACIVSA-N	317.455	1.338	50	20	DDGD	
CSC1(CNC(=O)NNC(=O)Cc2ccncc2)CCC1	195116568	FJICTVGQROEBKF-UHFFFAOYSA-N	308.407	1.240	50	20	DDGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCC#N)c1C	195453846	WQFOPGLIFMAGBG-AZZDOICSSA-N	300.362	1.859	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NC[C@H](C)N1CCc2ccccc2C1	192755542	BXLPOQRZILXLDU-IQGJIOQQSA-N	313.401	1.993	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1	238103818	VTDFUSLBTCJNHE-GVXVVHGQSA-N	304.350	1.959	50	20	DDGD	
O=C(/C=C\c1ccccc1)NNC(=O)Cc1cn2ccccc2n1	255774345	PBCRSMNESXJMFC-KTKRTIGZSA-N	320.352	1.738	50	20	DDGD	
Cc1cc(NNC(=O)c2cnc3cc(C)nn3c2C)nc(C)n1	265515482	HFDQBMIQECQVHQ-UHFFFAOYSA-N	311.349	1.510	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)CCc2ccccc2O)O1	268226531	LACSSSPSUBVFFH-TZMCWYRMSA-N	306.362	1.430	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H](C(=O)NNc2c(Cl)cccc2Cl)O1	279918482	NMPFYAUDHOCZCW-DTWKUNHWSA-N	318.160	1.469	50	20	DDGD	
Cc1cccc([C@H](NS(=O)(=O)CBr)C(=O)O)c1	275047352	HULHUNVWUUXTOP-VIFPVBQESA-N	322.180	1.393	50	20	DDGD	
CC(C)[C@H]1C[C@@H](CC(=O)NNC(=O)Cc2cccnc2)CCO1	273172472	KTGZJFGXFIOFFL-DZGCQCFKSA-N	319.405	1.613	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C1(C#N)CCC1	278499190	HYCBXZOUEJCTMF-JTQLQIEISA-N	321.764	1.949	50	20	DDGD	
CC(C)C(C)(C)C(=O)NNc1nccc(N2CCOCC2)n1	276045433	SUKUDSSVBCGGSG-UHFFFAOYSA-N	307.398	1.439	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)C[C@H]2CCCCO2)n1	279750282	YNCOIRHFTWNFME-GFCCVEGCSA-N	306.366	1.245	50	20	DDGD	
COCCOc1cc(C)ccc1NC(=O)NNc1ncccn1	274810835	XVLIJICZMFOTFW-UHFFFAOYSA-N	317.349	1.959	50	20	DDGD	
CC(C)NC(=O)c1ccc(NC(=O)NNC(=O)CC2CC2)cc1	273478713	KFILXWAOLJNDAP-UHFFFAOYSA-N	318.377	1.778	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(C(=O)N(C)OC)cc1	276029554	LKVVVMPRSKZWIH-UHFFFAOYSA-N	323.353	1.018	50	20	DDGD	
CO[C@H](C)CCC(=O)NNC(=O)c1ccc2c(c1)OCCO2	272727500	ALOQYNKCVGXPMJ-SNVBAGLBSA-N	308.334	1.034	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(C)cc1OC[C@H]1CCCO1	273186014	IBXZIKKUGZTWFK-GFCCVEGCSA-N	307.350	1.725	50	20	DDGD	
O=C(NNc1ncccc1F)Nc1cnc2c(c1)COCC2	370689786	KSLYOZPUDPBGKX-UHFFFAOYSA-N	303.297	1.837	50	20	DDGD	
Cc1cc(F)ccc1-n1cc(C(=O)NNC(=O)CC(C)C)nn1	271194419	OZKHGYMWERTWKN-UHFFFAOYSA-N	319.340	1.522	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)NNc1cc(F)c(F)cc1F	285645150	BSTNOSJDBRVNLP-ZDUSSCGKSA-N	315.295	1.948	50	20	DDGD	
C[C@H](COCC(F)(F)F)NC(=O)NNc1cccc(F)n1	288242353	SMRSQNHKOTYQEF-SSDOTTSWSA-N	310.251	1.814	50	20	DDGD	
CSCC(C)(C)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	282413695	DNOVSFPVRUOOHJ-UHFFFAOYSA-N	324.402	1.608	50	20	DDGD	
Cn1/c(=N\NC(=O)C[C@@H]2CCCC(=O)N2)sc2ccccc21	288247094	XNZJCBNQFOOGEI-UJMUHZSASA-N	318.402	1.231	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CC[C@H](C2CC2)C1	372340970	XJXPBANAVQTMGN-INIZCTEOSA-N	315.417	1.417	50	20	DDGD	
CCc1ccc(N2C[C@@H](C(=O)NN(C)C(=O)OC)CC2=O)cc1	286518265	XJSZDTVBXOIQKV-LBPRGKRZSA-N	319.361	1.331	50	20	DDGD	
COc1ncc(NC(=O)NCCSSC)cc1C(N)=O	285577202	BEJDZZVKOVNTSO-UHFFFAOYSA-N	316.408	1.322	50	20	DDGD	
COc1ccc([C@@H](C)NC(=O)NNC(=O)[C@H]2CCCCO2)cc1	296332926	LUDZRRVWGBKEOA-BXUZGUMPSA-N	321.377	1.656	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)ccc1F	294371939	WBTHBYQWLZTEGO-SDBXPKJASA-N	323.324	1.113	50	20	DDGD	
CCCN1CCC[C@H]1CNC(=O)NNC(=O)CC(F)(F)F	807550515	RKUBFVGZBCPCPF-VIFPVBQESA-N	310.320	1.144	50	20	DDGD	
C[C@@H](CCc1ccco1)NC(=O)NNC(=O)[C@H]1CCCCO1	297465886	NKEPNTGTQSQGAM-WCQYABFASA-N	309.366	1.500	50	20	DDGD	
CO[C@@H]1CCCC[C@@H]1NC(=O)NNc1ncc(F)cc1F	297790926	DROPSMMGLNSXLZ-WDEREUQCSA-N	300.309	1.944	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)COC(F)F	803151598	FBYJGAYKZQQRIP-UHFFFAOYSA-N	302.277	1.014	50	20	DDGD	
O=C(NNc1ncccc1F)[C@@H]1CC(c2ccccc2)=NO1	804211200	IFCZTAOHOSFPDD-ZDUSSCGKSA-N	300.293	1.857	50	20	DDGD	
CCN(CC)[C@@H](CNC(=O)NNc1ccncn1)CC(C)C	296359638	IEQXGMWLXUGKND-CYBMUJFWSA-N	308.430	1.859	50	20	DDGD	
CC(=O)Nc1ccc(CNC(=O)NNC(=O)CC(C)C)cc1	298742815	QELBZVZRNVLWGE-UHFFFAOYSA-N	306.366	1.522	50	20	DDGD	
CSc1cccc(F)c1C(=O)NNC(=O)[C@H]1CCCCO1	295384657	KWTHQSAGCUDZHH-SNVBAGLBSA-N	312.366	1.878	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)CSC(F)F)cc1	299254502	QNOFTAWXQGCBFJ-UHFFFAOYSA-N	315.301	1.040	50	20	DDGD	
COCCN(C)NC(=O)c1cccc(OC[C@H]2CCCO2)c1	808073125	DOYOXNDAYNTRIB-OAHLLOKOSA-N	308.378	1.467	50	20	DDGD	
C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)CC1CC1	294170832	NSRPJTGOGTWZLY-SECBINFHSA-N	323.780	1.406	50	20	DDGD	
CCOc1ccc(NNC(=O)C(C)(C)N2CCOCC2)cc1	294245888	GUTOBBGTOGGMGJ-UHFFFAOYSA-N	307.394	1.639	50	20	DDGD	
NC(=O)N[C@@H](CC(=O)NNc1cccc(F)n1)c1ccccc1	804767978	ZFVMMGZGJADRMA-NSHDSACASA-N	317.324	1.464	50	20	DDGD	
C[C@@]1(CCC(=O)NNc2nccnc2C2CCC2)CCC(=O)N1	805473815	PPMQHKGILMAMJG-INIZCTEOSA-N	317.393	1.636	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1occ2c1CCC2	803183550	QIGZGAYHCBRJFQ-UHFFFAOYSA-N	314.341	1.868	50	20	DDGD	
Cc1[nH]c(C=NNC(=O)c2cccc(N(C)C)c2)cc1C(=O)O	800807233	UEISTQNIBAYJEE-UHFFFAOYSA-N	314.345	1.851	50	20	DDGD	
CCc1nn(C)c(OC)c1C=NNC(=O)NCc1ccco1	814816934	CPWWVUDEFJPKCI-UHFFFAOYSA-N	305.338	1.417	50	20	DDGD	
CC(=O)c1cccc(OCC(=O)NNc2ncncc2F)c1	817083824	UOHZXWMOBMPDJB-UHFFFAOYSA-N	304.281	1.340	50	20	DDGD	
Cn1ncc(C=NNC(=O)c2ccc3c(c2)OCO3)c1Cl	814699449	FMAWQTLBYFQWMV-UHFFFAOYSA-N	306.709	1.566	50	20	DDGD	
Cc1cccc(C(=O)NN=C2CCC(CS(C)(=O)=O)CC2)n1	814921622	UVBDNVSQNFPPJO-UHFFFAOYSA-N	323.418	1.711	50	20	DDGD	
COc1ccc2c(ccn2CC(=O)NNc2ncncc2F)c1	817068076	WFZCWVIUKNNLBD-UHFFFAOYSA-N	315.308	1.722	50	20	DDGD	
CC(C)OCc1nc([C@H](C)NC(=O)NNc2ccccn2)no1	811972089	KSZFMYYSESNKMD-JTQLQIEISA-N	320.353	1.777	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1cccc(C#N)n1	810384832	IOSYEGVTUGSLDL-UHFFFAOYSA-N	316.342	1.114	50	20	DDGD	
CCn1nc(C)c(CNC(=O)/C(C#N)=C/c2ccc(O)cc2)n1	819599677	NRMRZIKRBTZPAY-MDWZMJQESA-N	311.345	1.535	50	20	DDGD	
Cc1nn(C)c(Cl)c1C=NNC(=O)c1ccc2c(c1)OCO2	812487010	QBGJZONFZOAFBZ-UHFFFAOYSA-N	320.736	1.875	50	20	DDGD	
O=C(Cc1ccc(-n2cccn2)cc1)NNc1ncncc1F	817079926	PIRVQXBSMKJTRM-UHFFFAOYSA-N	312.308	1.487	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNc2cccc(F)n2)nc1	816654552	NBLSLEPMRIOHMB-UHFFFAOYSA-N	304.281	1.549	50	20	DDGD	
O=C(NNc1ncncc1F)[C@H]1CCCN1c1ccccc1	817080023	DVFSTBLOSSZFMG-CYBMUJFWSA-N	301.325	1.728	50	20	DDGD	
COCCC(COC)=NNC(=O)Cn1c(C)nc2ccccc21	812223710	JMNZLHYXDXKOMQ-UHFFFAOYSA-N	318.377	1.500	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cnn(CC(F)F)c1	814217623	KGFOXPWLPOOOTP-UHFFFAOYSA-N	314.321	1.259	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1cccc(CO)c1	813499363	WRHCAPHPPXZCLT-UHFFFAOYSA-N	312.251	1.745	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@H]1CCCc2nn[nH]c21	825090535	XHSCIESOHHQTGE-LBPRGKRZSA-N	313.361	1.005	50	20	DDGD	
O=C(C[C@@H]1CC[C@@H]2C[C@H]12)NNc1nccc(N2CCOCC2)n1	826966864	VOMWRMUTBLZONV-AGIUHOORSA-N	317.393	1.193	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNc1cccnc1Cl	497245208	RRGFYQGTVBGSJY-WPRPVWTQSA-N	314.773	1.949	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)N(C)C)cc1Cl	726904892	HUTFXYDVVBIWEV-UHFFFAOYSA-N	302.787	1.821	50	20	DDGD	
COc1ccc(C)cc1-n1ccc(C(=O)NN(C)[C@@H](C)CO)n1	823966017	XUTSIGCPDSGXPA-LBPRGKRZSA-N	318.377	1.147	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1NC(=S)NNC(=O)N=c1cc[nH]cc1	726872107	UZJFACIWWUUWMJ-PWSUYJOCSA-N	307.423	1.583	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CC(n3ccnc3)C2)cc(C#N)n1C	490663656	KVVBXDYRXQANEJ-RZNTYIFUSA-N	320.356	1.392	50	20	DDGD	
O=C(N[C@@H]1CCC[C@@H]2CCCC[C@H]21)c1ccc(B(O)O)cc1	584992768	NTPDMGWCZUZTAR-APHBMKBZSA-N	301.195	1.455	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@]2(c3ccccc3)CCNC2)n1	823866054	ASMFOZIADMVYIJ-QGZVFWFLSA-N	311.389	1.468	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1c[nH]c2ncccc12	494725354	HUOKDNMPPDOKJZ-UHFFFAOYSA-N	317.349	1.538	50	20	DDGD	
Cc1nnc(C(=O)NNC(=O)NCCc2cccs2)s1	823810123	ICHQEQIQRMFNIT-UHFFFAOYSA-N	311.392	1.095	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)Nc1ccc(N2CCOC2=O)cc1	495206945	LHOUQWFENHQLAM-UHFFFAOYSA-N	313.317	1.609	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)C1(c2cccc(Cl)c2)CC(=O)C1	823922643	LLYOKVYOMDOXMB-JTQLQIEISA-N	310.781	1.285	50	20	DDGD	
O=C(c1ccccc1OC(F)(F)F)N1CC[C@H](B(O)O)C1	585065697	JMFGVSCXFYORNK-QMMMGPOBSA-N	303.045	1.274	50	20	DDGD	
C[C@H]1CN(C(=O)/C(C#N)=C/c2ccc(O)cc2)C[C@@H](C)S1=O	490977494	UACLOOBMTAFDPR-PSJCZLHMSA-N	318.398	1.667	50	20	DDGD	
C[C@H](NNC(=O)[C@H]1C[C@]12C(=O)Nc1ccccc12)C(F)(F)F	826943580	YGTAKHJPUGHANX-WIMUKIRHSA-N	313.279	1.468	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccnc(N2CCC[C@H](C)C2)c1	496157506	XADXUFKLRKQANP-NSHDSACASA-N	306.366	1.661	50	20	DDGD	
CCOC(=O)N[C@@H](C(=O)NNc1cccc(OC)n1)C(C)C	495205707	GXHAZYAFALLRRO-GFCCVEGCSA-N	310.354	1.304	50	20	DDGD	
OB(O)c1cccc(CN[C@H](c2cc(F)ccc2F)C2CC2)c1	585027641	WSDQRCGEXWBTTL-KRWDZBQOSA-N	317.144	1.886	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCc3ccccc3[C@@H]2CO)cn1	491086756	VAXNIUFPYQIUJW-KCPLEYNQSA-N	322.368	1.445	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC2CCC(C(=O)O)CC2)n1	820763852	HPQGFRQENPJCEF-UHFFFAOYSA-N	323.353	1.063	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@H]1Cc2cccc(O)c2C1	496632456	LJTSHAWLNJJODZ-JTQLQIEISA-N	307.350	1.598	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccnc(N2CCCCC2)n1	739510208	PRQVGJYOADDTCT-UHFFFAOYSA-N	317.393	1.418	50	20	DDGD	
C[C@]1(C(=O)NCCc2nnc(S)o2)C[C@@H]1Br	907460454	ALOJGEGRCCJOGI-CDUCUWFYSA-N	306.185	1.191	50	20	DDGD	
O=C(CC1COC1)NNc1ccc(S(=O)(=O)C(F)F)cc1	901168632	UJNOPCQASNJDBA-UHFFFAOYSA-N	320.317	1.163	50	20	DDGD	
CSSCCNC(=O)CCCN1CCN(C(C)C)CC1	908070022	VOAZNGUOGLHADT-UHFFFAOYSA-N	319.540	1.920	50	20	DDGD	
Cn1nc(C2CCCC2)cc1NC(=O)c1cccc(B(O)O)c1	584973687	PHMWSPYUCTWCOJ-UHFFFAOYSA-N	313.166	1.010	50	20	DDGD	
Cc1n[nH]cc1CCCNC(=O)[C@]1(C)C[C@H]1Br	906103622	RBUMVRLBZOPRHA-ZYHUDNBSSA-N	300.200	1.940	50	20	DDGD	
CON(C)C(=O)CCC(C)=NNC(=O)CNc1ccc(C)cc1	834920926	PPERBPMVSJFABW-UHFFFAOYSA-N	320.393	1.699	50	20	DDGD	
COC1(CCNC(=O)NNC(=O)CCc2ccccc2)CCC1	836473879	DTPRSSDJJNTHIK-UHFFFAOYSA-N	319.405	1.909	50	20	DDGD	
Cc1cc(C(=O)NCB(O)O)c(C)n1-c1ccc(Cl)cc1	585061683	DHJMQWQOXXZDKR-UHFFFAOYSA-N	306.558	1.489	50	20	DDGD	
CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1cccc(B(O)O)c1	584980208	TWAWKTKHSGBRJI-NSHDSACASA-N	315.100	1.169	50	20	DDGD	
COCCOCC(=O)NN=Cc1nc(-c2cccs2)oc1C	905492468	KULPNFOVVWKOGK-UHFFFAOYSA-N	323.374	1.825	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@H]2CCOC3(CCC3)C2)n1	838663517	VCMPLVAQXOMCNE-NSHDSACASA-N	321.381	1.461	50	20	DDGD	
CC(C)(C)C(=O)NC[C@@H]1CCCN(S(=O)(=O)CCl)C1	830487773	RCRIPIPDAAQZSO-JTQLQIEISA-N	310.847	1.387	50	20	DDGD	
O=C(O)NNS(=O)(=O)/C=C\c1ccccc1Br	738661518	LZVXTCYOXWSABE-WAYWQWQTSA-N	321.152	1.522	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1	730216085	QQDMFAWOEGCKBS-UONOGXRCSA-N	321.377	1.166	50	20	DDGD	
COc1ccc(F)cc1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	831599956	WNMOBEFHLNAWCI-SCZZXKLOSA-N	311.313	1.412	50	20	DDGD	
CC[C@H](C)n1ncc(NCc2ccc(B(O)O)cc2F)c1C	585037945	OJMMYAMWENOIEV-JTQLQIEISA-N	305.162	1.594	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCS[C@H](c2ccccc2)C1	735494632	GKVFMAHCTVLQAI-OCCSQVGLSA-N	321.446	1.722	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)c2c1CCC2	833236024	OFYDXPVVTPAMFM-HNNXBMFYSA-N	302.374	1.814	50	20	DDGD	
CCCCn1ncc(NC(=O)c2cc(B(O)O)ccc2F)c1C	584965177	OYFIHBXAYKEXHS-UHFFFAOYSA-N	319.145	1.063	50	20	DDGD	
N#Cc1ccc(C(=O)NN[C@H](C(=O)O)c2ccccc2F)cc1	833072292	RDHHDFVNPCQMSG-AWEZNQCLSA-N	313.288	1.758	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)c1	837310748	HSVHCQAFMZMWMH-YUTCNCBUSA-N	316.357	1.136	50	20	DDGD	
CC(C)[C@H](NC(=O)O)C(=O)NNc1ccc(F)c(F)c1F	736376569	VYFXRJXLTBDIPV-JTQLQIEISA-N	305.256	1.839	50	20	DDGD	
COC(=O)c1cc(C)cc(C(=O)NNc2cc(C)nc(C)n2)c1	839686890	WNOYXXMMORWBQZ-UHFFFAOYSA-N	314.345	1.945	50	20	DDGD	
Cc1cc(Br)c(C(=O)NNC(=O)CN(C)C)s1	839641920	YCPYLSHKDGBDDV-UHFFFAOYSA-N	320.212	1.142	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1CNC(=O)NNc1ccc(-n2ccnc2)nn1	836620317	UBAKOHVVUVZNAQ-RYUDHWBXSA-N	315.381	1.581	50	20	DDGD	
Cn1cc([C@H](NS(=O)(=O)CCl)c2ccc(F)cc2)cn1	831135718	KYAKDMJQPQOJEN-GFCCVEGCSA-N	317.773	1.764	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CCc2cc(OC)no2)c1	830846441	DJGWIUSTWOKJJU-UHFFFAOYSA-N	309.297	1.907	50	20	DDGD	
O=C(CC[C@@H]1CCCCO1)NNC(=O)c1ccc2c(c1)OCO2	732051557	SFFCKGPHPDHXHO-LBPRGKRZSA-N	320.345	1.526	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2)no1)c1cccnc1	915056360	BCLPXAILMPZTNR-UHFFFAOYSA-N	308.297	1.811	50	20	DDGD	
CN(C)CC(=O)NN=C(CC1CCCCC1)c1ncccn1	733901946	XQDLNAZXFQCUML-UHFFFAOYSA-N	303.410	1.829	50	20	DDGD	
CO[C@@H]1C[C@H](NCC(=O)NNC(=O)c2ccc(C)cc2)C1(C)C	831334718	ZKHABECZCDEPHI-UONOGXRCSA-N	319.405	1.159	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)NCCc2cccs2)CCCCO1	837367599	SDSDCSLYACFTJD-CQSZACIVSA-N	311.407	1.580	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CCNC(=O)O)c(Cl)c1	830390537	RSRKADBYBOCMLW-UHFFFAOYSA-N	314.729	1.459	50	20	DDGD	
N#Cc1ccc(NNC(=O)CNC(=O)c2ccc(O)cc2)cc1	749267779	MZVBUITYNWXBNV-UHFFFAOYSA-N	310.313	1.137	50	20	DDGD	
CC(=NNC(=O)NC1CCCC1)c1cccc(S(N)(=O)=O)c1	743531255	NCZWXDTYVYTNSK-UHFFFAOYSA-N	324.406	1.300	50	20	DDGD	
CS[C@@H]1CC[C@@H](NC(=O)NNC(=O)c2cccc(C#N)c2)C1	743586959	AMASXKRRZUQNCG-CHWSQXEVSA-N	318.402	1.786	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)Nc2ncn(C(C)(C)C)n2)n1	841688671	LBIRZOMHIURPGZ-UHFFFAOYSA-N	324.776	1.934	50	20	DDGD	
CCC(N)(CC)CNC(=O)NNC(=O)CCCc1ccccc1	841952105	NPBOJOIIGUNRPU-UHFFFAOYSA-N	320.437	1.857	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cnc(-c2ccccc2F)s1	910167199	DLVQWCWEUHRPTI-VIFPVBQESA-N	309.366	1.907	50	20	DDGD	
CC(C)N1C[C@H](NC(=O)NNc2cc(F)ccc2F)CC1=O	919710777	XRLNOHMELSLPLZ-SNVBAGLBSA-N	312.320	1.600	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)[C@@H]1CCc2ncncc2C1	843892083	AVARHBBPVOZMCV-SECBINFHSA-N	303.753	1.773	50	20	DDGD	
C[C@H]1CC[C@@](C)(C(=O)NNC(=O)CN2CCCC2=O)C1(C)C	913733836	XRUSYDXDHGTEBW-ZBEGNZNMSA-N	309.410	1.219	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)CN(C)C2CCC2)c1	913822043	PLWOMSCDZZHANS-UHFFFAOYSA-N	324.425	1.936	50	20	DDGD	
C[C@@H](CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)CC(C)(C)C	917621608	GDSQXQHGYSXPCQ-QWHCGFSZSA-N	318.483	1.941	50	20	DDGD	
CC(=NNC(=O)[C@H](C)Oc1ccccc1F)c1ccn(C)n1	841612509	KYHAXAUZIJEYGM-NSHDSACASA-N	304.325	1.867	50	20	DDGD	
CCN(CC)CCC(=O)NN=C(C)c1cccc(OC)c1O	844568494	CRHQYWQKPXOLMB-UHFFFAOYSA-N	307.394	1.973	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1c[nH]nc1-c1ccccc1	843978095	VNTSXRXTCRUHAV-JQWIXIFHSA-N	314.345	1.263	50	20	DDGD	
Cc1nc2ccccc2cc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843642497	KJMYDOFMOTTYQF-AAEUAGOBSA-N	313.357	1.729	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H](C)Cc2ccccn2)n1	848670251	KNVIXBJBUMOBSD-JTQLQIEISA-N	316.365	1.446	50	20	DDGD	
CCNCCNC(=O)NNc1ccc(C#N)cc1C(F)(F)F	841934849	MENJTMVCWLJKMD-UHFFFAOYSA-N	315.299	1.813	50	20	DDGD	
CCCN1CCC[C@@H]1C(=O)NNc1cc(O)nc2ncccc12	913994632	OVZJTSCPYBDGNL-CYBMUJFWSA-N	315.377	1.653	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccc(F)cc1	843655392	JJFONJBQXOZGFN-LEWSCRJBSA-N	308.353	1.892	50	20	DDGD	
CCCN1C[C@H](CNC(=O)[C@]2(C)C[C@H]2Br)CC1=O	911174445	WYGNBODPXONZBT-OPQQBVKSSA-N	317.227	1.535	50	20	DDGD	
C[C@H]1C[C@H](C)CN(CCCNC(=O)NNC(=O)C2CCCC2)C1	916460611	NXBWFCBGRZGNRC-KBPBESRZSA-N	324.469	1.875	50	20	DDGD	
CCC(N)(CC)CNC(=O)NNC(=O)c1ccccc1OC	841954185	JMPGQMUNSWTBSW-UHFFFAOYSA-N	308.382	1.157	50	20	DDGD	
O=C(NNC(=O)c1ncccn1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12	841594020	PHHDDBHGBCVILK-QNWJLWSRSA-N	315.377	1.245	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)CNc1ccccc1F	915919590	BRVAASIOCVCWOU-UHFFFAOYSA-N	303.341	1.738	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCc1ccc(C#N)cc1	843643525	MUVYQTSXNFANKC-BXUZGUMPSA-N	301.346	1.063	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCCCC2)cc1)C(=O)NC1CC1	744828135	VOYUIYZKLBJJFS-UHFFFAOYSA-N	314.389	1.406	50	20	DDGD	
Cc1ccccc1-n1cc(C=NNC(=O)[C@@H]2CCO[C@H]2C)nn1	842560554	MPLOIXLVBKUOIT-GXTWGEPZSA-N	313.361	1.451	50	20	DDGD	
CC[C@H](C(=O)Nc1cccc(NC(=O)NN(C)C)c1)[C@H](C)O	844135914	ALECLKIRRILAHJ-GWCFXTLKSA-N	308.382	1.630	50	20	DDGD	
CC(C[C@@H]1CCCC(=O)N1)=NNC(=O)c1ccc2c(c1)OCO2	841605185	PKJJCEKYTMGJNK-LBPRGKRZSA-N	317.345	1.580	50	20	DDGD	
C[C@@H]1CN(C)CC1=NNC(=O)CSc1ccccc1[N+](=O)[O-]	842567440	YBPSOSXNTVOKLO-SNVBAGLBSA-N	322.390	1.741	50	20	DDGD	
CCn1ccc(C(=O)NNC(=O)CNc2ccc(C)cc2)n1	844128240	LHIMRVDMGUHUMK-UHFFFAOYSA-N	301.350	1.085	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCCc1nc(C(F)(F)F)cs1	743704905	VKKVMAOOPMDZQK-UHFFFAOYSA-N	324.328	1.691	50	20	DDGD	
Cc1cc(NNC(=O)CC[C@@H]2NC(=O)NC2=O)ccc1Cl	928342015	OGCLDYPPVBPBDX-JTQLQIEISA-N	310.741	1.080	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ncccn1	841355186	ZEQQZWNTQRXJTG-RKDXNWHRSA-N	316.283	1.606	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1nc2ccccc2s1	755354559	QCHCZYMAMNYRIZ-UHFFFAOYSA-N	314.330	1.553	50	20	DDGD	
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)c2ccccc2)C1	851932814	QLCLEQIJMLWQKB-ZDUSSCGKSA-N	304.394	1.503	50	20	DDGD	
O=C(CC[C@H]1CCOC1)NNC(=O)COc1ccccc1F	751297268	KZPSTBSUDZMSAG-NSHDSACASA-N	310.325	1.169	50	20	DDGD	
C[C@]1(CN2C(=O)N[C@@H](c3ccccn3)C2=O)C[C@H]1Br	857227083	FYMMJLPVMVMUBX-GBIKHYSHSA-N	324.178	1.848	50	20	DDGD	
CCCCCCO[C@@H](C)C(=O)NNC(=O)c1cccc(F)n1	856427934	KCFBNCYWCNDSGU-NSHDSACASA-N	311.357	1.967	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc(O)c(Cl)c1)C1CC1	855103890	UQQPBMWYPBXXAM-SSDOTTSWSA-N	313.810	1.953	50	20	DDGD	
Cc1nn(C)cc1C=NNC(=O)[C@H](C)Oc1ccccc1F	755552364	NXKUFIKETGTIQP-NSHDSACASA-N	304.325	1.785	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)N[C@H]1CCN(CC2CC2)C1	852127064	LXSYNKSYLFWEDI-LBPRGKRZSA-N	309.801	1.845	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1cc2n(n1)CCC2	857475827	INHFQVAVYVKDJU-UHFFFAOYSA-N	312.255	1.395	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Nc2cc(C)ns2)c1	756856007	IULCMLIBNSBDAN-UHFFFAOYSA-N	320.374	1.992	50	20	DDGD	
Cn1ccnc1CNC(=O)NC[C@@]1(C)C[C@@H]1Br	856835297	OXNRENKXDYJAMO-GZMMTYOYSA-N	301.188	1.393	50	20	DDGD	
O=C(NN=C1CCCc2ccccc21)C(=O)Nc1ccccn1	758387508	NMBFGXUVOZZYQK-UHFFFAOYSA-N	308.341	1.877	50	20	DDGD	
Cc1cc(C)cc(CC(=O)NNC(=O)Cn2nc(C)cc2C)c1	854231062	DAILWCWUKFLDOJ-UHFFFAOYSA-N	314.389	1.507	50	20	DDGD	
CN1C(=O)CC[C@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	752635115	XGQHRIRYVYUVDS-JTQLQIEISA-N	312.713	1.312	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccc(F)c(C#N)c1	756356595	FFCXFDBQMSSENR-UHFFFAOYSA-N	302.269	1.195	50	20	DDGD	
C[C@]1(CNC(=O)NOCc2cccnc2)C[C@H]1Br	856843966	SGOVKLGUOVMTEM-ZYHUDNBSSA-N	314.183	1.986	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)/C=C\SC)o1	751462968	IWNDBIFNOXKFBE-HJWRWDBZSA-N	311.407	1.759	50	20	DDGD	
CN1CC[C@H](C(=O)NNC(=O)CC(F)(F)F)c2ccccc21	750793555	HTIUWHGOPILIPF-JTQLQIEISA-N	315.295	1.710	50	20	DDGD	
C[C@H](C(=O)NC[C@]1(C)C[C@@H]1Br)n1cnc(C#N)n1	857388259	REOTWKWRXOXVGU-FYBVGQRMSA-N	312.171	1.000	50	20	DDGD	
C[C@H]1COC[C@@H]1NC(=O)NNC(=O)c1cccc2cccnc12	926001915	VQMCZGJOOLAPGN-GWCFXTLKSA-N	314.345	1.214	50	20	DDGD	
C[C@]1(CNC(=O)c2cnc3[nH]nnc3c2)C[C@@H]1Br	857732520	ASIIFBPZOKZZCI-GZMMTYOYSA-N	310.155	1.256	50	20	DDGD	
CCCCCCOCC(=O)NNC(=S)N[C@@H](C)C1CC1	855100756	ILVAGDJMGZRWLU-NSHDSACASA-N	301.456	1.877	50	20	DDGD	
O=C(NN=Cc1cc(Cl)ccc1F)[C@@H]1CCS(=O)(=O)C1	753696078	VHCRJUHCWUAOPD-MRVPVSSYSA-N	318.757	1.364	50	20	DDGD	
CSC(C)(C)C(=O)NNC(=O)COc1cc(C)cc(C)c1	854190706	GXJFHQKJJOSSNI-UHFFFAOYSA-N	310.419	1.971	50	20	DDGD	
Cc1cc(O)c(C=NNC(=O)CN2CCCC2=O)cc1Cl	853279215	NPIDOWDQLHANLA-UHFFFAOYSA-N	309.753	1.427	50	20	DDGD	
CC(=O)N[C@@](C)(C(=O)NNC(=O)Cc1ccccc1C)C(C)C	934831591	KOGUVVMSQQBENB-QGZVFWFLSA-N	319.405	1.236	50	20	DDGD	
COC[C@@H](C)OC(=O)/C(C#N)=C/c1cc2c(cc1OC)OCO2	758814319	CVISAMOGEQNLSP-SUWUYWEISA-N	319.313	1.909	50	20	DDGD	
COc1nccnc1NNC(=O)COC/C=C/c1ccccc1	764460870	RIYAKAPFIMCFAI-VMPITWQZSA-N	314.345	1.658	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)c1c[nH]cc1C	762370585	NEZHYEKSGYSOMA-UHFFFAOYSA-N	319.386	1.885	50	20	DDGD	
O=C1NCC[C@@]1(C(=O)NNc1ccc(Cl)cn1)C1CCCC1	862218701	CZFLXCFRTNDSQU-OAHLLOKOSA-N	322.796	1.875	50	20	DDGD	
COc1nccnc1NNC(=O)C(=O)Nc1ccccc1Cl	766261386	WTTIRLSMOQLBTH-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
COc1cc(C(=O)NN=c2cc[nH]c(C)c2)cc2c1O[C@@H](C)C2	862509684	QQXRJQAKLHZEAK-NSHDSACASA-N	313.357	1.901	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1ccc(OCC(F)F)nc1	761175784	GILGPMGACFDBQJ-UHFFFAOYSA-N	322.271	1.195	50	20	DDGD	
Cc1cccc2c1[C@@H](C)CC2=NNC(=O)[C@H]1CCS(=O)(=O)C1	766694879	VNMHLRDPEZYDNU-RYUDHWBXSA-N	320.414	1.757	50	20	DDGD	
Cc1nn(C)cc1[C@@H](C)NS(=O)(=O)CC(C)(C)CCl	866721507	NKXIGPNTUNWPGA-SNVBAGLBSA-N	307.847	1.974	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2cncc(Br)c2)cn1	767378088	FCOWXQQCCGJXPX-UHFFFAOYSA-N	308.139	1.342	50	20	DDGD	
C[C@H](O)C[C@H]1COCCN1C(=O)[C@@H](Br)C(C)(C)C	768553437	NZYIIXHSBYXOIB-GARJFASQSA-N	322.243	1.794	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)CC(F)(F)C(F)(F)F	869018513	MBKZWMNEIHNFMZ-UHFFFAOYSA-N	302.121	1.674	50	20	DDGD	
Cn1c(CC(=O)NN=CC[C@@H]2CCOC2)nc2ccccc21	765559039	IHYATJHEPKUCOW-GFCCVEGCSA-N	300.362	1.644	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNc1ccc(Br)nc1	762252255	HFVNTQBLVWFEFG-LURJTMIESA-N	317.143	1.032	50	20	DDGD	
CN(C)c1nc2cc(NCc3ccc(B(O)O)cc3)ccc2o1	864029251	HCGNKOVYCGPQSJ-UHFFFAOYSA-N	311.150	1.186	50	20	DDGD	
CSc1ccc(NC(=O)C(=O)NNC(=O)CC2CC2)cc1	764142472	ONMAQZXVFVTTNX-UHFFFAOYSA-N	307.375	1.295	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H]2CCc3c[nH]nc3C2)c1	862478800	QVONEQZLWKIZAY-VIFPVBQESA-N	304.375	1.346	50	20	DDGD	
COCCOc1ccc(C(=O)NN=c2cc[nH]c(C)c2)cc1	862511660	XGMCVBGPLJJCBB-UHFFFAOYSA-N	301.346	1.594	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)c1ccnn1CC1CCC1	869355075	UQGIOOQVIQAFLH-UHFFFAOYSA-N	306.757	1.884	50	20	DDGD	
COc1cccc(SCC(=O)NNC(=O)c2cc(C)[nH]n2)c1	765586924	FFYDXASESZHKMF-UHFFFAOYSA-N	320.374	1.280	50	20	DDGD	
COc1ccc(C(=O)NN=C2CCS(=O)CC2)cc1OC	761795233	XOGQIERLJJBYHY-UHFFFAOYSA-N	310.375	1.332	50	20	DDGD	
Cc1coc2ccc(NC(=O)NNC(=O)[C@H]3CCC(=O)N3)cc12	860974099	FKUQNKOQUFLSGE-LLVKDONJSA-N	316.317	1.173	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)[C@@H]1CCSC1	762177507	FHKCSGJZKZWSBA-SNVBAGLBSA-N	313.810	1.924	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@@H]1CCn2ccnc2C1	863097888	RNMBDHNXZFFANS-SSDOTTSWSA-N	312.242	1.264	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C(C)(C)Oc1ccccc1	1116637704	ASZFJESVJQCUSN-LLVKDONJSA-N	322.361	1.333	50	20	DDGD	
COc1cc(C=NNC(=O)c2cn[nH]c2)ccc1OC(C)C	863156362	XWWUUWMJRCRVFX-UHFFFAOYSA-N	302.334	1.969	50	20	DDGD	
Cc1cc(NNC(=O)c2c(C)nn(CC(F)F)c2C)ncn1	761078421	NWEIRALVYKCGGE-UHFFFAOYSA-N	310.308	1.620	50	20	DDGD	
Cc1nocc1CNC(=O)NNC(=O)CCCc1ccccc1	875953072	KBKMHLRHIWFYAV-UHFFFAOYSA-N	316.361	1.836	50	20	DDGD	
CC[C@H](NNC(=O)c1ccc[nH]1)C(=O)N(C)c1ccc(C)cc1	871870864	KNGNNXVFKSADAA-AWEZNQCLSA-N	314.389	1.999	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(-c2nnc(C)o2)cc1	770052846	PYYLJRFHLUEJQZ-UHFFFAOYSA-N	305.294	1.828	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1	778223843	BONLBELRLYKVBP-UHFFFAOYSA-N	301.249	1.490	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1ccc(C(C)(C)C)cc1	877912678	CQPUNMZODFJEAA-UHFFFAOYSA-N	323.393	1.800	50	20	DDGD	
CN1CCc2cc(C(=O)NNc3ccc(Cl)nn3)ccc21	779380358	RVVLCVXKCUMGPK-UHFFFAOYSA-N	303.753	1.879	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cccc2c1CCN2C(C)=O	879230000	GVLMGEXHNARBKD-UHFFFAOYSA-N	306.322	1.330	50	20	DDGD	
CC(=NNC(=O)CO)c1ccc(OC[C@H]2CCCCO2)c(F)c1	776777244	WYXHJWQYHBUITL-CYBMUJFWSA-N	324.352	1.606	50	20	DDGD	
Cc1ccccc1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	771885105	QEZHASWKEGBPRY-LBPRGKRZSA-N	306.362	1.734	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NC[C@]2(C)C[C@@H]2Br)no1	1118755436	ZFMYYFHALZBLHR-CPCISQLKSA-N	316.155	1.211	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(Cl)o1	771949791	OHPUCBJNQVOJRQ-QMMMGPOBSA-N	316.741	1.672	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)N2CC=CCC2)C[C@@H]1Br	1118763773	JOEINSYHQONPFH-CABZTGNLSA-N	301.184	1.065	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Cn2cnc3ccccc32)C1	776338092	FOEBQJNNJVQAFJ-NWDGAFQWSA-N	300.362	1.620	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cnc2ccccc2n1	770238614	BFJALGLSRUPMEB-UHFFFAOYSA-N	321.431	1.102	50	20	DDGD	
Cc1ccc(OCCNC(=O)NNC(=O)C2CCOCC2)cc1	883052297	HIAFEYOKCFCFHB-UHFFFAOYSA-N	321.377	1.131	50	20	DDGD	
COc1cc(Cl)ccc1NC(=O)NNC(=O)c1cnn(C)c1	776075223	SFTDJAHVJNWWBL-UHFFFAOYSA-N	323.740	1.549	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CCC(C)(C)C	772139608	MILNAJMZFHXRMU-NSHDSACASA-N	300.399	1.938	50	20	DDGD	
O=C(NNC(=O)C1(c2ccc(F)cc2)CCC1)C1CCOCC1	883064471	DNVSAUIONSFYLC-UHFFFAOYSA-N	320.364	1.821	50	20	DDGD	
Cc1ncc2c(n1)CC[C@H](NS(=O)(=O)CCCCl)C2	881782268	BDRINSIKGMEXQR-NSHDSACASA-N	303.815	1.191	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=O)c1ccccn1	782837054	VWAMXUSQNFXCCM-UHFFFAOYSA-N	315.289	1.765	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1ccc(NC(=O)C2CC2)cc1	780709792	VDRFPCCRHNYUMC-UHFFFAOYSA-N	318.377	1.270	50	20	DDGD	
CCOC(=O)Cc1csc(NC(=O)NN=c2cc[nH]cc2)n1	781161955	CXDNEQJTESGZJK-UHFFFAOYSA-N	321.362	1.214	50	20	DDGD	
O=C(NNc1ncncc1Cl)C1(C(=O)NC2CC2)CCC1	781812877	HBCNLPBYNQHIDH-UHFFFAOYSA-N	309.757	1.022	50	20	DDGD	
CC[C@@H](C)CCCCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1	783800553	VDAUQFVVXRKIRF-VXGBXAGGSA-N	318.439	1.175	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)Cc2cnc[nH]2)c1C	899948009	CNIYPAZSQMQGHV-GFCCVEGCSA-N	316.361	1.184	50	20	DDGD	
COc1cccc(CCC(=O)NN=c2cc[nH]cc2)c1OC	780757219	WEDAAYZZJOXXLG-UHFFFAOYSA-N	301.346	1.597	50	20	DDGD	
Cn1nc(Br)cc1C=NNC(=O)c1ccccc1	782098202	RUNOXGUYVSTODD-UHFFFAOYSA-N	307.151	1.947	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCC(=O)c1ccc(NC(N)=O)cc1	786666498	OTMCCUHVANGUIH-GHXNOFRVSA-N	313.313	1.763	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)OCCC2OCCO2)cc1	781128904	KVDIOONNDWMIER-JLHYYAGUSA-N	303.314	1.908	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(-c2cccc(F)c2)no1	780707036	VKYWOFPPDMZQDL-UHFFFAOYSA-N	306.297	1.787	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2nnc(O)c3ccccc23)ccn1	789869764	XOWSJNNOXGLCQM-UHFFFAOYSA-N	323.312	1.114	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1ccn(-c2ccncc2)n1	784763842	NUOOCVYTBFJYTQ-UHFFFAOYSA-N	322.328	1.349	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)nc1	899663383	DRVOOUWTZLQOBW-GFCCVEGCSA-N	313.361	1.187	50	20	DDGD	
O=C(NC[C@@H]1CCCS1(=O)=O)c1cccc(CCl)c1	212587450	YTJLZKOJUOIIRR-LBPRGKRZSA-N	301.795	1.732	50	20	DDGD	
CSSCCNC(=O)c1c(Br)nnn1C	397848104	SRQQEFDYJHKNEQ-UHFFFAOYSA-N	311.230	1.319	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H](OC)c1cnn(C)c1	798990530	XDELTQYWSADOBL-ZDUSSCGKSA-N	318.333	1.038	50	20	DDGD	
CC[C@H]1CC[C@@H](C)CC1=NNC(=O)Cc1cc(O)nc(O)n1	797401800	PGBUCOVYWMXISY-ZJUUUORDSA-N	306.366	1.749	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@H](C(=O)NNc2cccc(F)c2[N+](=O)[O-])C1	791066455	IKZRZSZKGMMKPG-BDAKNGLRSA-N	324.312	1.469	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCc2ccc(O)cc2)n1	792955534	WPUDPZQZBSQJDJ-UHFFFAOYSA-N	314.345	1.282	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CC([C@H]3CCOC3)C2)cc(C#N)n1C	792608573	QOZCJECCQNYADV-WTYKIMEZSA-N	324.384	1.607	50	20	DDGD	
C[C@@H](CNC(=O)NNc1cccnn1)NC(=O)OC(C)(C)C	792263516	ZKDCAGNKLVICAC-VIFPVBQESA-N	310.358	1.016	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)NNc1oc(C(C)C)nc1C#N	795822393	FKPQQWSODUGXKM-LBPRGKRZSA-N	319.365	1.514	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1ccc(S(N)(=O)=O)cc1	798339866	KLMCLIRQVDNYHD-UHFFFAOYSA-N	323.349	1.538	50	20	DDGD	
C[C@H]1CCN(CC(=O)NNC(=O)c2cccs2)CCS1	755199675	NQFWWBKGBIJVBT-JTQLQIEISA-N	313.448	1.337	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCCN2CC=CC2)cc(C#N)n1C	1319035122	HHCMYUDQONQMNL-DHDCSXOGSA-N	309.373	1.100	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@H]1COc2ccc(F)cc2C1	1320539406	XXNPWWKTQFMLDZ-SECBINFHSA-N	322.727	1.964	50	20	DDGD	
Cc1sccc1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1324364715	OPGOUPYYGWAPAD-UHFFFAOYSA-N	304.375	1.733	50	20	DDGD	
C[C@H](CC(=O)OC(C)(C)C)NC(=O)NNC(=O)c1ccccc1	1251734183	NUQQDWWNMZFNTN-LLVKDONJSA-N	321.377	1.751	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N2CC[C@@H]3C[C@H]3C2)C[C@H]1Br	1331373475	GSRUWSMLOHLAJH-BSTOTGJRSA-N	315.211	1.145	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2ccccc2CC#N)cc1	1337312161	UMTMTTHOCSEMDV-UHFFFAOYSA-N	323.352	1.765	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C[C@H]1CC(=O)Nc2ccccc21	1334110024	PWJVEUKHBQYUNJ-SNVBAGLBSA-N	303.362	1.696	50	20	DDGD	
O=C(NN=C1CCOc2c(F)ccc(F)c21)C1CCOCC1	1333664852	NJAJOMVFUXKFKB-UHFFFAOYSA-N	310.300	1.994	50	20	DDGD	
O=C(NC[C@@H]1CCCCCN1)NNc1ncnc2ccsc12	1336994101	VOPPNNMJYMJNSD-JTQLQIEISA-N	320.422	1.850	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@@H]1C[C@@H]1F	1338878238	DBUCSKXNPLSSCS-XROYCOCOSA-N	300.717	1.613	50	20	DDGD	
CON(C)C(=O)[C@H](C)NC(=O)NNc1ccccc1Cl	1262004508	YLXMZQBKWGDGAQ-QMMMGPOBSA-N	300.746	1.374	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(O)c2ccsc2c1	1261272545	KHWXSFYXXPYMOJ-LBPRGKRZSA-N	320.370	1.937	50	20	DDGD	
O=C(NCc1cccc(C(F)(F)F)c1)NNC(=O)[C@H]1C[C@H]1F	1348713578	ZPWYBKBJRNMNQM-VHSXEESVSA-N	319.258	1.894	50	20	DDGD	
C[C@@]1(CCNC(=O)NNC(=O)C2CCNCC2)C[C@@]1(F)Cl	1349580691	FFVLWQRETHHFGC-OLZOCXBDSA-N	320.796	1.021	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@H]2F)cc1F	1349797363	DNCGLUAEPOOQGC-HTQZYQBOSA-N	301.318	1.510	50	20	DDGD	
C[C@]1(C(=O)N[C@H]2Cc3cccnc3NC2=O)C[C@H]1Br	1352671733	RPGNKHDIEQHBFP-RWEMILLDSA-N	324.178	1.235	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)/C=C/c1nccs1	1516533791	NAPUOQFWBQDIPL-VOTSOKGWSA-N	317.370	1.555	50	20	DDGD	
O=C(O)[C@H](CNS(=O)(=O)CCCCl)C1CCCCC1	1601653788	SGLQJVNGLWNOPM-LLVKDONJSA-N	311.831	1.816	50	20	DDGD	
O=C(CCc1ccccc1C(=O)O)NNc1ncc(Cl)cn1	1601290750	HCXVQHOLQNLWRC-UHFFFAOYSA-N	320.736	1.904	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(OCC(=O)O)cc1C	1605618100	FWBQHAABSSJRMK-FLIBITNWSA-N	304.302	1.841	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cc(C(=O)O)no2)cc1OC	1607206411	VHELXOYSHQQLAC-UHFFFAOYSA-N	319.273	1.154	50	20	DDGD	
Cc1c(C(=O)O)cc(C=NNC(=O)OCC(F)(F)F)n1C	1607511571	TXGFBIYYIAJUDV-UHFFFAOYSA-N	307.228	1.654	50	20	DDGD	
O=C(CCCn1ccc(C(=O)O)n1)NNc1ccc(F)c(F)c1	1608306827	CGQWAOVECRPYAA-UHFFFAOYSA-N	324.287	1.783	50	20	DDGD	
C[C@@H]1CN(C)C[C@H](C(=O)NN=C2CCOC3(CCCCC3)C2)O1	1552921584	FIMVNTZGTGHPJR-UKRRQHHQSA-N	323.437	1.691	50	20	DDGD	
CCCCCCCC[C@@H](N)C(=O)NNC(=O)c1ccncc1	1577429924	BXWJMADGBIREJM-CQSZACIVSA-N	306.410	1.921	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C23CCC(CC2)N3)c(C)c1	1579722242	BIPSNOAOWNNVEI-UHFFFAOYSA-N	318.446	1.906	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC2(CCNCC2)C1	1579895134	DUDOOFYSSILEDM-UHFFFAOYSA-N	310.829	1.564	50	20	DDGD	
C[C@H](N)c1ccc(C(=O)NNC(=O)c2cccc(F)n2)cc1	1576164060	FMTWUIQZFZVTLJ-VIFPVBQESA-N	302.309	1.315	50	20	DDGD	
Cn1c(NNC(=O)C2=C3CCN=C3NC=C2)nc2ccccc21	1579947928	CDGHVNSMKKSEOU-UHFFFAOYSA-N	308.345	1.232	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C[C@H](N)C(C)(C)C)c1	1579772558	CAXGOIRTKVEENL-ZDUSSCGKSA-N	307.394	1.285	50	20	DDGD	
CC(C)OC(=O)NN=CCCc1ccc(-c2nn[nH]n2)cc1	1589736262	UUPRPHGDRKDFSU-UHFFFAOYSA-N	302.338	1.920	50	20	DDGD	
N[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1Cl)C1CCC1	1580115269	QNRITPRNAHYFPW-NSHDSACASA-N	316.188	1.882	50	20	DDGD	
N[C@@H]1CCC[C@H](C(=O)NNC(=O)c2cc3c(s2)CCC3)C1	1580378371	NAVMVXGXNRNQNU-WDEREUQCSA-N	307.419	1.515	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ncccc1C(=O)O)CC(F)F	1589056224	JUBSISPYXUXNAN-SSDOTTSWSA-N	302.281	1.697	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)C(=O)CC)C2	1841670086	GOGLZAICFFOIOI-LLVKDONJSA-N	314.813	1.576	50	20	DDGD	
CCOCCC(=O)N1CC2(CCCN2C(=O)[C@H](Cl)CC)C1	1845168154	OCFMGIJZAFZHES-GFCCVEGCSA-N	316.829	1.634	50	20	DDGD	
C[C@H]1CC[C@@](NS(=O)(=O)CCCCCl)(C(=O)O)CC1	1599909336	NWSHAUXMQIGMNG-UMSPYCQHSA-N	311.831	1.958	50	20	DDGD	
C[C@H](Cc1cnc[nH]1)C(=O)NNc1cccc(F)c1C(=O)O	1592906940	KCALPTPECPLXQS-MRVPVSSYSA-N	306.297	1.569	50	20	DDGD	
O=C(NNc1ccccn1)Nc1ccc(-c2nn[nH]n2)c(F)c1	1593166645	IWYBUVMPWCCIKE-UHFFFAOYSA-N	314.284	1.549	50	20	DDGD	
CN1CCCC[C@@H]1CCC(=O)NNc1ccc(C(=O)O)cn1	1598599258	RGQHDMOBJBKWKQ-GFCCVEGCSA-N	306.366	1.487	50	20	DDGD	
O=C(NNC(=O)c1ccoc1)Nc1ccc(C(=O)O)cc1F	1594780445	QIBIOLSVSBXIIA-UHFFFAOYSA-N	307.237	1.583	50	20	DDGD	
C/C=C(/C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Cl)CCO2	1783079150	YCDQIMSHFUOWQU-SIAFOADKSA-N	318.776	1.317	50	20	DDGD	
CNc1snc(C)c1C(=O)NNC(=O)c1ccccc1F	16970545	MENSUTQGCKPFCP-UHFFFAOYSA-N	308.338	1.707	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)c1	159203097	OPLPGYRITXPCSL-GFCCVEGCSA-N	313.361	1.523	50	20	DDGD	
CC(=O)Nc1cccc2c1CCCN2S(=O)(=O)CCl	830134612	RKCFFLGGYIVHQD-UHFFFAOYSA-N	302.783	1.924	50	20	DDGD	
O=C(O)CC[C@@H]1CCCN(S(=O)(=O)CBr)C1	309810476	YXLQVICMHTUQBV-QMMMGPOBSA-N	314.201	1.245	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(F)cc2)c(OC)c1	6402585	YDQZKRDRJGSJCN-UHFFFAOYSA-N	318.304	1.918	50	20	DDGD	
CCCNC(=S)NNC(=O)CNc1c(C)cc(C)cc1C	7555505	OPNPQRZIIQYGNE-UHFFFAOYSA-N	308.451	1.929	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)Cc2ccc(F)cc2)cn1	10262171	MWBNBECDLUZRFA-UHFFFAOYSA-N	318.308	1.625	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CCc1ccncc1	55355218	DRWCNTKYKWRWGM-UHFFFAOYSA-N	313.357	1.413	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)[C@@H]1C[C@]12CCc1ccccc12	173970580	YOCZTQXTHKFXFY-SJCJKPOMSA-N	320.356	1.700	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@H]1CCc2ccc(F)cc21	106576645	QMSGBKOFAKUIFR-LBPRGKRZSA-N	302.309	1.785	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)Nc2ccncc2)cc1	56516701	ZUMCAMQERCRKMG-UHFFFAOYSA-N	314.345	1.876	50	20	DDGD	
CCc1cc(NNC(=O)c2cc[nH]n2)nc(-c2ccccn2)n1	115155921	JVDGBJAVXFFDFI-UHFFFAOYSA-N	309.333	1.581	50	20	DDGD	
CCCC(=O)N1CCC[C@@H]1C(=O)NNc1ccccc1[N+](=O)[O-]	56063406	YHTVFSCZAQRONC-CYBMUJFWSA-N	320.349	1.829	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)COc1cc(C)ccc1C	66307043	JRRMMSGKCMOFNB-AWEZNQCLSA-N	320.389	1.811	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cccc(C(=O)N2CCCCC2)c1	1263841818	WLPLVUGFQNUXFO-ZDUSSCGKSA-N	319.405	1.270	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccc(C(C)(C)C)nn1)N(C)C1CC1	118576856	IEWUYVZAXWFTRM-NSHDSACASA-N	320.441	1.883	50	20	DDGD	
CCN(CCNC(=O)NNC(=O)c1cccc(Cl)c1)C1CC1	171252256	BJNTUSKMHZPAFR-UHFFFAOYSA-N	324.812	1.768	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNC(=O)c2ccc(Cl)nc2)c1	119499527	QRJALSWLADVAQC-UHFFFAOYSA-N	306.709	1.341	50	20	DDGD	
CCOCCCNC(=O)NNC(=O)c1cccc2ncccc12	67311959	KHXZGUGFZCKNCO-UHFFFAOYSA-N	316.361	1.605	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)c2ccsc2)C[C@@H](C)O1	111545064	YLILHYZQSLGIOE-PHIMTYICSA-N	311.407	1.008	50	20	DDGD	
CC[C@@H](CC(=O)NNC(=O)N1CCOCC1)c1ccccc1	171535299	RRTBASSVXQJTIO-ZDUSSCGKSA-N	305.378	1.643	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Nc2ccccn2)c1	67296905	GBFYNWWFQZSTRB-UHFFFAOYSA-N	300.318	1.622	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H]1F)c1ccc(F)cc1Br	1345642599	LVJSHQFAYMVVPX-CBAPKCEASA-N	319.105	1.707	50	20	DDGD	
CC(=O)NC1CCC(C(=O)NNC(=O)NC2CCCCC2)CC1	1346084561	BURCOZDEAUCPLD-UHFFFAOYSA-N	324.425	1.344	50	20	DDGD	
CCc1ccc(CCC(=O)NNc2nnc(C)c(O)n2)cc1	29067034	HKQCJJIMFXCLLC-UHFFFAOYSA-N	301.350	1.524	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Cc1cnn(-c2ccccc2)c1	171483248	KGNXDDYPVLBBEI-UHFFFAOYSA-N	314.389	1.998	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)/C=C/c1ccccc1C#N)C1CC1	175534512	AFRUGNSODZJXKD-FBOQAHMBSA-N	314.414	1.865	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCN1CCc2ccccc2C1	126620874	GTQLSNKHPFBUAH-UHFFFAOYSA-N	318.421	1.421	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCCCN1CCCC[C@@H]1C	66699757	DZBZPZDKYISCNN-ZDUSSCGKSA-N	314.430	1.008	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2cn3ccccc3n2)cn1	173875853	XKHRKMHYLAOUNK-UHFFFAOYSA-N	309.329	1.041	50	20	DDGD	
O=C(CN1CCCC1=O)NNc1cccc(C(F)(F)F)c1	60741739	ZFZOIYNGQHTUHF-UHFFFAOYSA-N	301.268	1.771	50	20	DDGD	
CC(C)Oc1ncccc1CNS(=O)(=O)CBr	127377196	JPXWNSZCVWQBJT-UHFFFAOYSA-N	323.212	1.641	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1csc([C@H]2CCCO2)n1	123110509	YMJWTPZYIHIZBA-SNVBAGLBSA-N	312.395	1.739	50	20	DDGD	
COC(=O)C[C@H]1CN(/C(=C/C#N)c2ccc(F)cc2)CCO1	79328574	QMCZQYYKNGMXGP-ULIPXBITSA-N	304.321	1.954	50	20	DDGD	
O=C1CCc2cc(NC(=O)NNc3cnccn3)c(F)cc2N1	120713430	OWQVJJBMGQAHMV-UHFFFAOYSA-N	316.296	1.649	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(Cl)cc(Br)c1	128849280	WDMWZKPGIKZIEG-UHFFFAOYSA-N	306.547	1.676	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2COCCN2CC2CCC2)nc1	187474633	SDXPPTICLDCZAA-AWEZNQCLSA-N	320.393	1.034	50	20	DDGD	
CO[C@@H](C)CCC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	182969940	BKAJQHOVTMKMTG-QWRGUYRKSA-N	312.341	1.556	50	20	DDGD	
CCC(CC)n1nc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1C	186126019	BXOJOUNIJJGSEZ-UHFFFAOYSA-N	318.381	1.279	50	20	DDGD	
CC[C@@H]1C[C@@H](C(=O)NNC(=O)c2ccc(C)cc2O)CCO1	183580642	GTMSZYNJQLFKJQ-NWDGAFQWSA-N	306.362	1.667	50	20	DDGD	
COc1ccc(-c2n[nH]cc2C(=O)NNC(=O)NC2CC2)cc1	79759722	OSSDTSIMLYUUJK-UHFFFAOYSA-N	315.333	1.192	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)NCc2ccco2)c1	122817804	TXQYDHIXGGJBBZ-UHFFFAOYSA-N	317.345	1.751	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2ccc(C(F)(F)F)cn2)CC1	186907299	PMASMERBLPXFRZ-UHFFFAOYSA-N	317.267	1.887	50	20	DDGD	
COc1ccc(-c2nc(N)n(C)c2SS(=O)(=O)O)cc1	14676808	CCJRKLGKLWSYTN-UHFFFAOYSA-N	315.376	1.573	50	20	DDGD	biogenic
CC[C@H](COC)NC(=O)NNC(=O)c1cccc(N(C)C)c1	129080311	OTERTSFXMKVGHP-GFCCVEGCSA-N	308.382	1.122	50	20	DDGD	
CN(C)c1ccc(NC(=O)C(=O)NNc2cccc(F)c2)cc1	120841221	FJVKEJDXMDOQIT-UHFFFAOYSA-N	316.336	1.974	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)c1ccc[nH]1)CN1CCCCC1	127453014	QGYFISYFDNDPIT-GFCCVEGCSA-N	307.398	1.081	50	20	DDGD	
CC(C)(C)[S@@](=O)CCNC(=O)NNc1cncc(Cl)n1	120202429	OLHACJLQQWQCJU-HXUWFJFHSA-N	319.818	1.303	50	20	DDGD	
CCNC(=O)c1ccc(CNC(=O)NNc2ccccn2)cc1	79182077	XVARYGQXKYUYCX-UHFFFAOYSA-N	313.361	1.658	50	20	DDGD	
NC(=O)CN1CCC(NC(=O)c2cccc(CCl)c2)CC1	37012383	KLIQNTYJJLKMBE-UHFFFAOYSA-N	309.797	1.105	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1ccc(Cl)cc1F	77708877	PPMYLZZMTSNECO-UHFFFAOYSA-N	308.762	1.835	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C\c1cc(OC)c(OC)cc1OC	211856650	XESSAVWKKMGBSA-GHXNOFRVSA-N	302.330	1.922	50	20	DDGD	
O=C(CCNC(=O)NNc1ccccn1)NC1CCCCC1	79725451	RTWRTNGJNRCEES-UHFFFAOYSA-N	305.382	1.547	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(CC)CC(N)=O)c1C	189721749	UMDKYUAUCPFKAS-OQLLNIDSSA-N	316.405	1.756	50	20	DDGD	
CCCC(=O)N1CCC[C@H]1C(=O)NNc1ccncc1Cl	135876770	APFANJDNTIVLNJ-LBPRGKRZSA-N	310.785	1.969	50	20	DDGD	
O=C1CCCC[C@H](C(=O)NNc2cc(F)c(F)c(F)c2)N1	194390289	XNBDSDIDGCHBJU-SNVBAGLBSA-N	301.268	1.606	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H]2C[C@@H](O)C2(C)C)cc(C#N)n1C	190479889	VDLJBFZCYWVOJL-KVTSWHSASA-N	312.373	1.388	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CCn2cnc3ccccc32)n1	192995250	YJMHKEOVNRWUGI-UHFFFAOYSA-N	310.361	1.977	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CCC[C@H](C)C2)n1	47035885	XJIRQYWRIYRMHU-GXFFZTMASA-N	307.398	1.409	50	20	DDGD	
O=C(NC[C@H]1CCCOC1)NNC(=O)c1cccc(Cl)c1	193975542	ZJIRQCBVENPCBP-SNVBAGLBSA-N	311.769	1.711	50	20	DDGD	
Cc1ccc(C)n1-c1ccc(C(=O)NNC(=O)C(C)(C)O)cc1	190047912	NALDJRSKOIGWEE-UHFFFAOYSA-N	315.373	1.626	50	20	DDGD	
COC(=O)C1(C(=O)NNc2ccc(OC(F)F)cc2)CC1	135004511	CFZPDYZFDMSASH-UHFFFAOYSA-N	300.261	1.684	50	20	DDGD	
C[C@]1(NNC(=O)NCCCC2CCCC2)CCS(=O)(=O)C1	46873013	QULCSWLYZKQCOS-AWEZNQCLSA-N	317.455	1.338	50	20	DDGD	
O=C(NNC(=O)c1ccnc(Br)c1)c1cccnc1	132368938	MXXNGLMGVPNFDM-UHFFFAOYSA-N	321.134	1.314	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	143477830	WRHVLATWGPHXNP-SNVBAGLBSA-N	309.322	1.561	50	20	DDGD	
Cc1cc(C)cc(C2(C(=O)NNC(=O)c3cnn(C)c3)CC2)c1	265369481	ZIFBMXSIIACKTM-UHFFFAOYSA-N	312.373	1.530	50	20	DDGD	
CC[C@H](C)[C@H](C)NC(=O)NNC(=O)COc1ccccc1O	264622028	RUALWPNMWWUXEU-QWRGUYRKSA-N	309.366	1.536	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1)C1CCC1	267011705	NJCMHLWRMKXXJF-HNNXBMFYSA-N	319.380	1.738	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1C(=O)NNC(=O)Cc1ccccc1OC	278210254	GSNQMDYVHPFVFK-CZUORRHYSA-N	318.373	1.366	50	20	DDGD	
Cc1cc(CC(=O)NNc2ccc(C(F)(F)F)nn2)no1	270043270	LHXBBKSHIXMLDP-UHFFFAOYSA-N	301.228	1.478	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCS[C@H](C(C)C)C2)n1	279651402	KNISCIIFHQYLKQ-ZDUSSCGKSA-N	322.434	1.818	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCCc3cn[nH]c32)n1	279560581	BJBLIZIFSSIIOD-LLVKDONJSA-N	314.349	1.135	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCn2cnnc2C1	274535215	ZEUPZBXHVDFINY-VIFPVBQESA-N	301.188	1.430	50	20	DDGD	
N#CC1=CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2)CC1	371614212	BGZBGGDZNXAVIX-MRXNPFEDSA-N	309.369	1.973	50	20	DDGD	
C[C@H]1C[C@@H](N2CCCC2)CN1CCI	375784963	ABYXVPBXKPPMIH-WDEREUQCSA-N	308.207	1.980	50	20	DDGD	
C[C@H]1CCCN([C@H](C)CNC(=O)NNc2ncccc2F)C1	286743422	OOUKSTMMJQTBIR-NWDGAFQWSA-N	309.389	1.967	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)COc1ccccc1OC)C(C)C	282081741	BUNBSEYQCNXKFZ-GFCCVEGCSA-N	319.361	1.062	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(N2CCC(C)=N2)cc1	281226200	MPBXJXQWAPDHGS-UHFFFAOYSA-N	317.418	1.568	50	20	DDGD	
C[C@H](NS(=O)(=O)CBr)[C@H](O)c1ccccc1	288391990	LSNMANUAPAEVGZ-WPRPVWTQSA-N	308.197	1.380	50	20	DDGD	
CCc1ccc([C@@H](COC)NC(=O)NNc2ncncc2F)o1	292526403	FHKVLOPOTIYWIP-LLVKDONJSA-N	323.328	1.785	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@H]1C[C@H](c2ccccc2)OC1=O	809754730	GBTQOVCMTRRVMO-CHWSQXEVSA-N	315.304	1.968	50	20	DDGD	
C[S@@](=O)c1ccc(CC(=O)NNc2cccc(F)n2)cc1	804771577	DQBAZYSXTVTODD-OAQYLSRUSA-N	307.350	1.644	50	20	DDGD	
Cc1cccc(F)c1S(=O)(=O)NNC(=O)[C@H]1CCCCO1	296861755	YXKXXASDPAWJBV-LLVKDONJSA-N	316.354	1.013	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CC2CC2)c(OC)c1OC	294118254	KJDHAYHHNZQIEB-UHFFFAOYSA-N	308.334	1.274	50	20	DDGD	
Cc1cc(NNC(=O)c2coc(C3CCOCC3)n2)nc(C)n1	801622485	OKYWIYRWDRTMFF-UHFFFAOYSA-N	317.349	1.732	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H](NC(N)=O)C(C)(C)C)cc1	293793574	AZXGJMZRIGXTSF-LBPRGKRZSA-N	308.382	1.611	50	20	DDGD	
CC[C@@H]1CCC1=NNC(=O)c1csc(N2CCOCC2)n1	807951845	BKRKUMJPAHWSHN-SNVBAGLBSA-N	308.407	1.886	50	20	DDGD	
Nc1nc(C2CC2)ncc1C(=O)NNc1cccnc1Cl	807033499	RTYGFMKNZLDRSQ-UHFFFAOYSA-N	304.741	1.742	50	20	DDGD	
Cc1nc2cc(C(=O)NNC(=O)N=c3cc[nH]cc3)ccc2o1	802027795	XBKAQJUDLGPJSW-UHFFFAOYSA-N	311.301	1.420	50	20	DDGD	
Cc1nn[nH]c1C(=O)NNC(=O)c1cc2ccccc2cc1O	800687689	FJUHPURPJTYHLT-UHFFFAOYSA-N	311.301	1.047	50	20	DDGD	
Cc1cc(CNC(=O)NNc2cc(F)c(F)c(F)c2)n(C)n1	807221558	DJYCAWCOVBEITR-UHFFFAOYSA-N	313.283	1.972	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)Cc2cc(C)on2)cc1	802053472	RRGBIZDFTKDCJY-UHFFFAOYSA-N	304.306	1.387	50	20	DDGD	
O=C(NNc1ccncn1)[C@H]1CCCC[C@H]1C(=O)N1CCCC1	296178855	LSZIKPKSJJPZQA-QWHCGFSZSA-N	317.393	1.349	50	20	DDGD	
CC(C)(O)c1ccc(CNC(=O)NNc2ccncn2)cc1	296937727	QRMWZRQCODDKBM-UHFFFAOYSA-N	301.350	1.530	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cccc(Cn2ccnc2)c1	298527270	XOAYQOOHXGGPHE-UHFFFAOYSA-N	300.362	1.739	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)[C@H](CC(C)C)NC(C)=O)c1	293973657	QYZAHTOSKDVIJR-HNNXBMFYSA-N	320.393	1.639	50	20	DDGD	
COc1cc(F)cc(NNC(=O)Cc2ncccc2OC)c1	807062870	LDNXKSGXLMXNCH-UHFFFAOYSA-N	305.309	1.924	50	20	DDGD	
CCN(CC(=O)NNC(=O)N=c1cc[nH]cc1)c1ccccc1	802033939	UICGHTCAQZIHHV-UHFFFAOYSA-N	313.361	1.183	50	20	DDGD	
Cc1ccc2snc(C(=O)NNC(=O)c3cc(C)[nH]n3)c2c1	815887054	RKDSRZAHZKCEQU-UHFFFAOYSA-N	315.358	1.711	50	20	DDGD	
Cc1cc(C(=O)NN(C)C2CC2)cc(C(=O)NN(C)C2CC2)c1	819653089	GZYVCOQJSXEJTO-UHFFFAOYSA-N	316.405	1.473	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cc1	818327904	KIHCTDHDUGLUMC-SGMGOOAPSA-N	315.373	1.517	50	20	DDGD	
CC(C)(O)C(=O)NN=C(C[C@H]1CCCO1)c1ccc(F)cc1	811648993	XHSNPWRWWZONED-CYBMUJFWSA-N	308.353	1.986	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@@H](C)CN2CCOCC2)cc1C	812440912	LAOPSYMJAMYSHK-AWEZNQCLSA-N	319.405	1.422	50	20	DDGD	
O=C(NNc1ncncc1F)c1cc(=O)c2ccc(F)cc2o1	817083210	BMAKVIGDRTZURD-UHFFFAOYSA-N	318.239	1.618	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=C1CCN(CC(F)(F)F)CC1	815001814	WULLJUZCNCFGMR-UHFFFAOYSA-N	315.299	1.639	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1cnn2c1OCCC2	816663889	MWYPKXPKDCIZMK-UHFFFAOYSA-N	314.349	1.480	50	20	DDGD	
Cc1cccc(S(=O)(=O)NNC(=O)c2cccc(C#N)c2)c1	728853599	VBNTXCRYHUPTSX-UHFFFAOYSA-N	315.354	1.490	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=S)NCCc1ccccc1	726871681	GJEQMHQARXBLMM-UHFFFAOYSA-N	315.402	1.247	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)[C@H]1CCCCO1)c1ccccc1	827249043	FZNASWAHODGANU-ZIAGYGMSSA-N	301.346	1.260	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccccc1-c1nn[nH]n1	825412090	JVWJPIRSURKFBG-UHFFFAOYSA-N	315.381	1.049	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(C)(C)C	490751084	MYOVVFXSZYWAEP-UHFFFAOYSA-N	301.387	1.485	50	20	DDGD	
CCCC[C@@](C)(F)C(=O)NNC(=O)CNC(=O)c1ccco1	825267888	YXNXJCKHTKQUNV-CQSZACIVSA-N	313.329	1.075	50	20	DDGD	
O=C(NNc1cccc2c1CCCC2)c1ccc(-c2nn[nH]n2)[nH]1	826449554	YOUBDASFDGFQIM-UHFFFAOYSA-N	323.360	1.831	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H]2CNC(=O)C[C@H]2C(F)(F)F)n1	824862938	KFTZEZKKVYCXEX-DTWKUNHWSA-N	316.283	1.148	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2C	728307943	QFMGDLFZRFSPIT-SNVBAGLBSA-N	318.377	1.253	50	20	DDGD	
C[C@H](Oc1ccccc1)C(=O)NNc1cccc(-c2nn[nH]n2)c1	824745195	OMVIKVPWWFDHCF-NSHDSACASA-N	324.344	1.777	50	20	DDGD	
N#C/C(=C/c1ccc(-c2nn[nH]n2)o1)C(=O)NC1CCCCC1	822796750	XLYVYIFSJCTDNL-NTMALXAHSA-N	312.333	1.816	50	20	DDGD	
CN1C[C@@H](COC(=O)[C@H](Br)C(C)(C)C)OC1=O	495663471	CUKCBTQGCIYOEO-YUMQZZPRSA-N	308.172	1.790	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C[C@@H]1CSc2ccccc2O1	827690588	OVERELOWFZGKAL-SNVBAGLBSA-N	309.391	1.622	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-]	822781843	KIDMNBWVQSGUIE-UHFFFAOYSA-N	320.227	1.578	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccnc1-c1cnn(C)c1	823756213	XPXHHNDRQNEYJV-UHFFFAOYSA-N	316.365	1.226	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)OC(C)(C)C)c1ncccn1	496513794	PEUGZSFZQQLRCT-UHFFFAOYSA-N	321.381	1.622	50	20	DDGD	
CCCOc1cccc(NC(=O)C(=O)NNC(=O)OCC)c1	495406844	GLLQJWOKUQZLPD-UHFFFAOYSA-N	309.322	1.191	50	20	DDGD	
O=C(NN=Cc1cccnc1)C1CCN(c2ncccn2)CC1	728783512	TXPGEXSYUXBINX-UHFFFAOYSA-N	310.361	1.238	50	20	DDGD	
CC(=NNC(=O)N=c1cc[nH]cc1)[C@@H](C)NC(=O)OC(C)(C)C	497223427	VXQMIQVJTVRWPY-SNVBAGLBSA-N	321.381	1.914	50	20	DDGD	
Cn1nc(C(F)(F)F)cc1C(=O)NNC(=O)OC(C)(C)C	496957214	AVXGVMLMMDVMAX-UHFFFAOYSA-N	308.260	1.608	50	20	DDGD	
C#C[C@@H](CC)NC(=O)NNC(=O)c1cccc(OC(F)F)c1	491362362	RRATWKKFCDYKSD-JTQLQIEISA-N	311.288	1.644	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1	823874412	SXNIINOGHIEMQJ-UHFFFAOYSA-N	322.796	1.793	50	20	DDGD	
CCN(C(=O)c1cc(B(O)O)ccc1F)[C@H]1CCCC[C@H]1C	584940078	OYAJAOWNZOSZKL-ABAIWWIYSA-N	307.174	1.546	50	20	DDGD	
O=C(NC1CCc2ccccc2CC1)c1cccc(B(O)O)c1	584996458	IBJGXRXWZXQTCA-UHFFFAOYSA-N	309.174	1.044	50	20	DDGD	
CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1cscn1	823954102	ZGLJOYYVZYGHPB-UHFFFAOYSA-N	313.346	1.477	50	20	DDGD	
COCCOC[C@@H]1CCN(C(=O)[C@]2(C)C[C@H]2Br)C1	906834705	JJAKYCILKOSXFD-NQBHXWOUSA-N	320.227	1.671	50	20	DDGD	
CCCN(NC(=O)[C@H]1CCN(C)C(=O)C1)C(=O)OC(C)(C)C	495761576	SHHMMYUYXWCGCQ-NSHDSACASA-N	313.398	1.533	50	20	DDGD	
COC(=O)NCC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	490787920	YJOGTKHWPBAUEH-UHFFFAOYSA-N	307.350	1.101	50	20	DDGD	
CCCCOc1ccccc1NC(=O)C(=O)NNC(=O)OCC	495367556	QXMSSIHMCCNNHK-UHFFFAOYSA-N	323.349	1.581	50	20	DDGD	
CCCN(NC(=O)CN1CCSC1=O)C(=O)OC(C)(C)C	495828521	XDZGQABWOBVSGC-UHFFFAOYSA-N	317.411	1.834	50	20	DDGD	
C[C@@]1(C(=O)NCCCN2CCCCC2=O)C[C@H]1Br	906599600	PKLKDAYUMMBMLH-ZWNOBZJWSA-N	317.227	1.679	50	20	DDGD	
CCO[C@@H](CCNC(=O)c1cccc(B(O)O)c1)C1CCCC1	584957240	MWQQIWKHVVMLPW-INIZCTEOSA-N	319.210	1.082	50	20	DDGD	
CC1(C)CC[C@@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1	495107278	VYFQLUJMBBNNHF-SNVBAGLBSA-N	313.398	1.485	50	20	DDGD	
CC(C)n1ccc(C(=O)NNC(=O)CCc2ccccc2)n1	733100760	BIMHDADXLZATBR-UHFFFAOYSA-N	300.362	1.858	50	20	DDGD	
C[C@@H]1CCCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)[C@@H]1CO	491050505	PUFOKTPQGPBGSZ-NYLOLIOWSA-N	300.358	1.919	50	20	DDGD	
CC1(C)Cc2cc(NCc3ccc(B(O)O)cc3F)ccc2O1	585034791	UGLDGTGZKDMRJP-UHFFFAOYSA-N	315.153	1.831	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cnc2cc(OC)ccc2c1	906425734	NGSLDNBKEDZUIA-UHFFFAOYSA-N	302.334	1.597	50	20	DDGD	
OB(O)c1cccc(CN[C@H]2CCCN(Cc3ccccc3)C2)c1	585026044	BTGBDBWWYFXCFI-IBGZPJMESA-N	324.233	1.121	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(C)cnc1OC(C)C	836706010	IEWCQFQWDSRMPT-UHFFFAOYSA-N	310.354	1.366	50	20	DDGD	
O=C(C[C@@H]1CCCO1)NNc1cccc(Br)n1	837210745	ZAXMYBUHGLAUAM-QMMMGPOBSA-N	300.156	1.856	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)N[C@H](C)C[C@H](C)N	831197239	KHUKNKYLBRFOCT-NWDGAFQWSA-N	322.409	1.084	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)Cc1cn(C)nc1C	831754384	LYZFQROAMBHQLC-UHFFFAOYSA-N	301.350	1.432	50	20	DDGD	
COc1nc(N(C)C)sc1C=NNC(=O)[C@@H]1CCCCO1	834988833	NNTABVSSVWPKKS-VIFPVBQESA-N	312.395	1.237	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC[C@@H](C)OC)c1F	838185426	GTAZMYVUWGZRFE-SECBINFHSA-N	313.329	1.663	50	20	DDGD	
CC(C)COc1ccc(CCNCc2ccc(B(O)O)o2)cc1	585022950	AJYRWTBTNJGYLY-UHFFFAOYSA-N	317.194	1.327	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)COc1ccccc1F)C(F)F	836191948	QXKZLZHUAOSXPS-VIFPVBQESA-N	319.283	1.579	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCc2cccc(Cl)c2C1	839172393	OCNPCFMGMHDJLT-SNVBAGLBSA-N	309.797	1.644	50	20	DDGD	
CC[C@@H](O)[C@H](C)C(=O)NNc1nc2ccccc2c(=O)n1CC	900092735	PDJPXVMKJSPEHQ-GXFFZTMASA-N	318.377	1.267	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2ccc(-n3cnnn3)cc2)C[C@@H](C)O1	834930635	JNIXBMKSZNQYKW-PHIMTYICSA-N	314.349	1.336	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)c1cc2c(s1)CCC2	834925606	CUYNRRQLMALIAY-UHFFFAOYSA-N	303.391	1.921	50	20	DDGD	
CO[C@H]1CC(=NNC(=O)COc2ccccc2C#N)C12CCC2	834926942	FYXGUJBLTOXMHP-HNNXBMFYSA-N	313.357	1.998	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)CCc1ccccc1C(=O)O	833481140	RHNRIMIJEJFKLX-UHFFFAOYSA-N	306.362	1.901	50	20	DDGD	
O=C(NNC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)c1ncon1	832825900	LCZZHFBVMFJECE-GIHOKJNXSA-N	308.313	1.139	50	20	DDGD	
Cc1[nH]c(C(=O)NNc2nc3ccccc3[nH]2)c(C)c1C(=O)O	833739544	FGEZPEDUWOVXNX-UHFFFAOYSA-N	313.317	1.963	50	20	DDGD	
COc1ncc(C(=O)Oc2ccc([N+](=O)[O-])cc2OC)cn1	733930207	WFYPFILLWOLWLR-UHFFFAOYSA-N	305.246	1.621	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCc2cccc(Cl)c2C1	839171427	FNBVILGHIKYILX-UHFFFAOYSA-N	309.797	1.502	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@H](c2ccco2)C1	732206031	QICKDKOVXIIBNM-OLZOCXBDSA-N	307.394	1.651	50	20	DDGD	
CCCc1csc(NC(=O)NNC(=O)[C@H]2CCCCO2)n1	836494767	SFAFEQKLTFYJCP-SNVBAGLBSA-N	312.395	1.817	50	20	DDGD	
O=C(NNC(=O)c1cc(O)nc2cc(F)ccc12)NC1CC1	739705787	ASKRYQAWBIDRHQ-UHFFFAOYSA-N	304.281	1.186	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2cnc(C)[nH]2)cc1	732259857	YVGIYIJIRGZXKL-UHFFFAOYSA-N	304.375	1.580	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(-c2c[nH]c3ccccc23)[nH]n1	910183638	NHNRVSBORHMAMP-SNVBAGLBSA-N	313.361	1.515	50	20	DDGD	
Cc1cccc2cc(C(=O)NNC(=O)CN3CCCC3=O)oc12	913730696	FPRSUWGYRGGROS-UHFFFAOYSA-N	315.329	1.125	50	20	DDGD	
CC(=O)Nc1ccc(S[C@@H](C)C(=O)NNC(=O)N(C)C)cc1	746001629	QKOMIPYWSFKTGV-VIFPVBQESA-N	324.406	1.428	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCC[C@H]2c2ncccn2)cn1	912646053	DMAMOUXVJFFZML-MQJVFOOVSA-N	308.345	1.481	50	20	DDGD	
CCOC(=O)CC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	913428656	DMZPSGNLQUFQAR-UHFFFAOYSA-N	306.362	1.698	50	20	DDGD	
CCC(=O)Nc1ccc(S(=O)(=O)NNC(=O)C(C)C)cc1	747406650	GFBIERXEEGXNAE-UHFFFAOYSA-N	313.379	1.001	50	20	DDGD	
CC(Cc1cccs1)=NNC(=O)Cc1cc(O)nc(O)n1	743446175	PVQMPQTWZPHCFX-UHFFFAOYSA-N	306.347	1.227	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ncccc1C(F)(F)F	843663091	VJMDRBWXCPHCMP-HTQZYQBOSA-N	317.267	1.286	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1c(F)cccc1N1CCOCC1	741162333	CTIVHMCUYZMDMA-UHFFFAOYSA-N	322.384	1.064	50	20	DDGD	
COc1ccc2onc(CC(=O)NNC(=O)C(C)(C)C)c2c1	841383137	YEHVAIHGBORSKV-UHFFFAOYSA-N	305.334	1.572	50	20	DDGD	
CC(C)(C)OCC(=O)NNc1ncc(Br)cn1	848321927	JTEGMTFUZMMXFN-UHFFFAOYSA-N	303.160	1.497	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1c[nH]c2ccccc12	843639666	JEYVIJFDZXJOSB-YPMHNXCESA-N	315.373	1.673	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Cc1ccc2ccccc2c1)[C@H](C)O	842227575	TZRVTUWYLRDGBP-LRDDRELGSA-N	314.385	1.937	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1cccnc1)NC(=O)OC(C)(C)C	742465130	DXONDOOFSIQJKN-JTQLQIEISA-N	322.365	1.146	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1)c1ncccn1	841614504	OKFSYSJLSKJGBQ-JHJVBQTASA-N	319.409	1.062	50	20	DDGD	
NS(=O)(=O)c1ccc(CC(=O)NNc2ccccc2F)cc1	748050366	GAKZRJOFVODONL-UHFFFAOYSA-N	323.349	1.159	50	20	DDGD	
Cc1ccn2cc(CNC(=O)NNC(=O)c3ccccc3)nc2c1	918234512	JYHHZHOBJOUYOJ-UHFFFAOYSA-N	323.356	1.787	50	20	DDGD	
CC[C@@H](O)CNS(=O)(=O)c1ccc(CCCCl)cc1	849456248	OSTPCLIXEAWQFJ-GFCCVEGCSA-N	305.827	1.907	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(C)Cc2cccs2)c1	744382770	AENPOVJHXGOCDS-UHFFFAOYSA-N	317.414	1.950	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1csc(-c2ccccn2)n1	915955458	DIMDNDFIVNYRHD-UHFFFAOYSA-N	317.374	1.180	50	20	DDGD	
N[C@@H]1CCC[C@H](NC(=O)NNC(=O)c2cc3c(s2)CCC3)C1	841981493	DBJQLIVOHMANKK-MNOVXSKESA-N	322.434	1.451	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1cc(OC)ccc1O	748253704	RSBCJEJRJQIEEJ-LLVKDONJSA-N	310.350	1.293	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cccc(Cl)c1)[C@@H]1CCCNC1	841929964	YIOWGPBVVIDVIY-ZYHUDNBSSA-N	324.812	1.672	50	20	DDGD	
CCC[C@@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	744771492	BOOQKQSCXNLEHE-GFCCVEGCSA-N	306.362	1.735	50	20	DDGD	
CN(C)[C@]1(CNC(=O)NNC(=O)CC(C)(C)C)CCSC1	748646162	IJNHGPHNJUNFDY-AWEZNQCLSA-N	316.471	1.190	50	20	DDGD	
CC[C@H](N)CNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	842005162	IGYKYQKYKCWNKD-PCPABOIYSA-N	308.426	1.271	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C[C@@H](C)n2ccnc2)cc1	846093926	JOXZBDOVJCQMFR-LLVKDONJSA-N	317.349	1.696	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCc2ccc(C)o2)n1	746749816	HHUMPTRWCKBGNX-UHFFFAOYSA-N	305.338	1.564	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cccc2c1OC(C)(C)C2	846786286	PYLBPLBPSXYCAV-UHFFFAOYSA-N	313.357	1.813	50	20	DDGD	
CC(C)Oc1ncccc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843656723	PTOKVSIYPUIZOO-GHMZBOCLSA-N	307.350	1.055	50	20	DDGD	
CCC/C=C\C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1	920457459	ILTCSHFYMDGWHN-UITAMQMPSA-N	310.375	1.207	50	20	DDGD	
CN(NC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]21)c1ccccc1	856762683	ORMSPLLODLUMEK-ZNMIVQPWSA-N	301.390	1.849	50	20	DDGD	
Cc1cc(C=NNC(=O)c2cc[nH]n2)c(C)n1C[C@@H]1CCCO1	853392494	NHANUKDZDTUCSX-AWEZNQCLSA-N	315.377	1.771	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc2c(c1)nc(O)n2C1CC1	854214100	FKNKIALXCCZIBJ-UHFFFAOYSA-N	302.334	1.494	50	20	DDGD	
CCOC(=O)NC1CCC(=NNC(=O)NCCCOC)CC1	853295088	AJZKGMZHTXPMGZ-UHFFFAOYSA-N	314.386	1.367	50	20	DDGD	
CCN1CCC[C@H](NC(=O)NNc2ccccc2Cl)C1=O	925961011	QOPIGBOPNQOOII-LBPRGKRZSA-N	310.785	1.977	50	20	DDGD	
COc1ccc(CCC(=O)NN=Cc2cnc3ncccn23)cc1	755662082	TUZXQYKPALXHST-UHFFFAOYSA-N	323.356	1.821	50	20	DDGD	
Cc1cc(CNC(=O)NC[C@]2(C)C[C@@H]2Br)no1	856825768	BZTJWKOAFGGYLR-ONGXEEELSA-N	302.172	1.956	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)NC[C@@H]1CCCNC1=O	922862780	ZPIIHHOSACCQKY-JTQLQIEISA-N	310.785	1.801	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H](C)C2(CO)CC2)cc(C#N)n1C	855480170	YIVJHYILQIWVBG-CHJAJTDHSA-N	312.373	1.389	50	20	DDGD	
O=C(CCC[C@H](O)c1ccccc1)NNC(=O)C1CCOCC1	923060286	QSHWLLFNICOXIW-HNNXBMFYSA-N	320.389	1.464	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	920243810	ACAQJORTIHFXBI-UHFFFAOYSA-N	319.314	1.090	50	20	DDGD	
N#Cc1cc(F)c(C(=O)NNc2ncnc3[nH]cnc23)c(F)c1	755812311	TUCGYHVGBZRDMB-UHFFFAOYSA-N	315.243	1.260	50	20	DDGD	
COc1ccc2c(c1)CC[C@H](NC(=O)NNc1ncccn1)C2	753289815	YLEBHCPQXLNVBS-ZDUSSCGKSA-N	313.361	1.669	50	20	DDGD	
Cc1c[nH]cc1C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855830881	XIDQDILEYGTORA-UHFFFAOYSA-N	308.382	1.027	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cccs1)Cc1ccncc1	754046391	MRDMRKPLUPBJDP-UHFFFAOYSA-N	318.402	1.426	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cccnc1C1CC1)C1CC1	855099909	QEIAGAGADSXDRH-SECBINFHSA-N	304.419	1.866	50	20	DDGD	
O=C(NN=Cc1coc(-c2ccccc2)n1)C(=O)N1CCCC1	755679089	CBSIAVKBOWAEOO-UHFFFAOYSA-N	312.329	1.414	50	20	DDGD	
O=C(CN1CC[C@H]2C[C@@H]2C1)NNC(=O)c1cccc(Cl)c1	852636311	RNZRFMACVCEBGM-CMPLNLGQSA-N	307.781	1.443	50	20	DDGD	
CC1CC(CNC(=O)NNc2cccc(S(C)(=O)=O)c2)C1	856959333	YXOWEYJMUGPDJP-UHFFFAOYSA-N	311.407	1.762	50	20	DDGD	
COC(=O)c1coc(C=NNC(=O)c2ccccc2OC)c1	758112145	QXOADXIPXBPITQ-UHFFFAOYSA-N	302.286	1.839	50	20	DDGD	
O=C(NNC(=O)C1SCCCS1)c1cccc(Cl)n1	857324689	KBXDPQVOCNHANR-UHFFFAOYSA-N	317.823	1.692	50	20	DDGD	
CCn1c(NNC(=O)C2(CC)COC2)nc2ccccc2c1=O	755109880	UTBCDNFZVOQABG-UHFFFAOYSA-N	316.361	1.286	50	20	DDGD	
COCCN(C)NC(=O)CCOc1ccc(Cl)c(F)c1	854414153	VVATYOLGFMIAJB-UHFFFAOYSA-N	304.749	1.857	50	20	DDGD	
CC[C@@H](C(=O)NNC(=S)N[C@H](C)COC)c1ccccc1	853395527	AKKPOYGOEZMSND-DGCLKSJQSA-N	309.435	1.710	50	20	DDGD	
CCN(CCC(=O)NC)/C(=C/C#N)c1ccc([N+](=O)[O-])cc1	933863912	KRSHJOXKMZZQTI-RIYZIHGNSA-N	302.334	1.917	50	20	DDGD	
Cc1ccccc1C[C@H](C)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	862095374	KEQDXYNJOFTSGJ-GUTXKFCHSA-N	304.390	1.746	50	20	DDGD	
Cn1cc(C=NNC(=O)NCC(F)(F)F)c(C(C)(C)C)n1	769570308	MTSVAMPWYXWNDE-UHFFFAOYSA-N	305.304	1.913	50	20	DDGD	
CON(CC1CCOCC1)S(=O)(=O)CC(C)(C)CCl	867239339	OZRYTNYEPPLPJL-UHFFFAOYSA-N	313.847	1.871	50	20	DDGD	
COc1cc(OC)c(C(=O)NNc2ncc(F)cn2)cc1OC	760914549	HGSORZUPMBMZLD-UHFFFAOYSA-N	322.296	1.398	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCC[C@H]1C(F)(F)F)c1cc[nH]n1	869238732	IZHDTLJYBHYLKO-JGVFFNPUSA-N	304.272	1.539	50	20	DDGD	
CCOc1cccc(NC(=O)NNC(=O)Cc2ccncc2)n1	765315966	LXJCSDDTGFKHQI-UHFFFAOYSA-N	315.333	1.271	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@H](c1ccc(OC)nc1)C1CC1	860207205	FPISNVHUHYCOJA-BONVTDFDSA-N	320.393	1.077	50	20	DDGD	
COc1cc(O)c(C=NNC(=O)Cc2cccnc2)cc1OC	768364499	JPROBMHTUFFZDS-UHFFFAOYSA-N	315.329	1.497	50	20	DDGD	
CC1(C(=O)NNC(=O)c2cc(Br)ccc2O)CC1	761572390	NXTXVXNKVCQNHB-UHFFFAOYSA-N	313.151	1.716	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C1CCC[C@H]1c1ccc(F)cc1	863189203	CZVGVPJPNQILNQ-LBPRGKRZSA-N	312.366	1.610	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccn2Cc2ccncc2)n[nH]1	768276181	JTPBAFXSXBORGA-UHFFFAOYSA-N	324.344	1.038	50	20	DDGD	
CC[C@@H](Oc1ccccc1C)C(=O)NNC(=O)c1cn[nH]c1	862471918	CBWZPSIZMWXGQJ-GFCCVEGCSA-N	302.334	1.337	50	20	DDGD	
Cc1coc(C(=O)NNc2nccc(N3CCOCC3)n2)c1C	1117441029	DJYJEKPGVVYDOA-UHFFFAOYSA-N	317.349	1.280	50	20	DDGD	
Cn1cc(C(=O)NNc2nc3ccccn3n2)c(C(F)(F)F)c1	1116764370	BDMIIBARWVJUKA-UHFFFAOYSA-N	324.266	1.844	50	20	DDGD	
COc1ccc(NNC(=O)C2CCN(C)CC2)c([N+](=O)[O-])c1	769310629	LAPMVNXXPXRZMA-UHFFFAOYSA-N	308.338	1.388	50	20	DDGD	
Cc1cc(=NNC(=O)NCc2cccc(CN(C)C)c2)cc[nH]1	875091535	LCDKYKCXRHBDIW-UHFFFAOYSA-N	313.405	1.700	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2CCN(C)C2=O)cc1C	873763191	PRVFBEDGUKPLMZ-LBPRGKRZSA-N	320.418	1.099	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccnc(Br)c1C	879659859	KCIRZWPROMINFU-UHFFFAOYSA-N	317.187	1.767	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1nc(Br)cs1	779742567	WMEWMXWDDZBCEB-UHFFFAOYSA-N	318.196	1.857	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)C[C@H](O)c1cccc(F)c1	772747658	ZWHYPYGTTXGZPL-AWEZNQCLSA-N	317.320	1.034	50	20	DDGD	
C[C@H](C(=O)NNc1cc(Cl)ccc1F)N1CCN(C)CC1	871272085	JWUWQJOXNCYTMA-SNVBAGLBSA-N	314.792	1.558	50	20	DDGD	
CCn1c(C(C)=NNC(=O)C[N+](C)(C)C)nc2ccccc21	1116872216	ZCTKQQNMUVIIIT-UHFFFAOYSA-O	302.402	1.603	50	20	DDGD	
CCC[C@H](CC)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	873419793	BDVVPZJKEBKRDW-RYUDHWBXSA-N	300.399	1.938	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2CC(C)(C)C2(C)C)n1	1116344596	LPOOQGBETTXLEM-UHFFFAOYSA-N	324.450	1.262	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc2cc(OC)ccc2c1	872403254	KJMRPRXMKYWBJX-UHFFFAOYSA-N	316.357	1.962	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C[C@@H]2CCCO2)c1	874949722	BAQAKBKTQQPCAJ-ZDUSSCGKSA-N	303.387	1.555	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCCCC(=O)NC)c1ccccc1	779779429	YDCHFBRVOSDCHF-AWEZNQCLSA-N	319.405	1.634	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)NCC2CC=CC2)c1	875798453	KTLLXEIFUXGQNH-UHFFFAOYSA-N	317.389	1.979	50	20	DDGD	
O=C(NNC(=O)c1ccc2nnc(S)n2c1)c1ccccc1	773690387	MIRMWNFQPFLGDB-UHFFFAOYSA-N	313.342	1.093	50	20	DDGD	
C[C@H](CCc1ccc(F)cc1)C(=O)NNc1nccn(C)c1=O	879072691	IVCOZIYBTCJEAY-LLVKDONJSA-N	318.352	1.631	50	20	DDGD	
CCOC(=O)NNC(=O)CCC(=O)Nc1c(F)cccc1F	873741626	CJRUYHYGBPFQQS-UHFFFAOYSA-N	315.276	1.461	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2cc(CN(C)C)ccn2)n1	880599999	GURFQGBCGLMSGQ-UHFFFAOYSA-N	315.381	1.699	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)Cn1cc([C@@H](C)O)nn1	885124611	AMDCZDKMJWWQLK-SECBINFHSA-N	309.757	1.437	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc(OCC(F)(F)F)nc1	770333721	SSYYNFXUGKYSOO-UHFFFAOYSA-N	320.271	1.831	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ncc3n2CCCC3)cc1O	882051287	JUDMRIWZMZWVKL-UHFFFAOYSA-N	314.345	1.308	50	20	DDGD	
COCc1cccc(CC(=O)NNC(=S)NCC2CCC2)c1	777785324	ONVYKJIZTXHGAG-UHFFFAOYSA-N	321.446	1.671	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cccc(C#N)c1)c1cccnc1	778264038	ZOUSOVJWGKWNPP-UHFFFAOYSA-N	308.341	1.692	50	20	DDGD	
Cn1nnc2c1C[C@@H](C(=O)NNc1ccc(F)c(F)c1)CC2	885113986	PFNFWQQMBSKEKQ-QMMMGPOBSA-N	307.304	1.342	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H](CO)c1cc(F)ccc1F	881915546	ORCIIAKEYIDZNP-NSHDSACASA-N	313.753	1.547	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)NCCCC#N)cc1	784453837	MUBKVVVDLYMUSG-UHFFFAOYSA-N	304.354	1.392	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNC(=O)C2CCOCC2)C1(C)C	883068283	OHBUYBZJVUMJKH-OLZOCXBDSA-N	310.394	1.202	50	20	DDGD	
COc1c(Br)cccc1C=NNC(=O)C(C)(C)O	785466863	XIIBYJMOMKNTDL-UHFFFAOYSA-N	315.167	1.679	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc2ccccc2c(=O)o1	788266783	QIDOGMHGMQBACR-UHFFFAOYSA-N	311.297	1.206	50	20	DDGD	
CC(C)CC1(C)CCN(C(=O)NNC(=O)c2cccnn2)CC1	883852347	LVISQQWHZAOXQT-UHFFFAOYSA-N	319.409	1.979	50	20	DDGD	
CCc1nnc(C(=O)NNC(=O)c2cccc(N(C)C)c2)s1	899978732	ZPHRHKXQXSJYDM-UHFFFAOYSA-N	319.390	1.241	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCC(=O)OC(C)C)c1	780816947	LTHADTMUOCUGBF-UHFFFAOYSA-N	323.349	1.441	50	20	DDGD	
Cc1sc(CC(=O)NNC(=O)Cc2cc[nH]n2)nc1C(C)C	789935800	XRDMSHKVXWZNTF-UHFFFAOYSA-N	321.406	1.231	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1cnnn1-c1ccccc1Cl	780760917	DKLYIIZUFPMVOQ-UHFFFAOYSA-N	314.736	1.495	50	20	DDGD	
O=C(NCCC1CCC(F)(F)CC1)c1cccc(B(O)O)c1	890054400	HPLRWTFCWGBFLB-UHFFFAOYSA-N	311.137	1.312	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)Cc1c(C)noc1C	780732761	OHBAALYOHJEMGJ-UHFFFAOYSA-N	303.318	1.764	50	20	DDGD	
C[C@@H]1CCNC(=O)[C@H]1NC(=O)[C@@H](Br)C(C)(C)C	799764783	KDDBAROTIXCICX-HRDYMLBCSA-N	305.216	1.437	50	20	DDGD	
O=C(NCCCCn1ccnc1)NNc1nc2ccccn2n1	790234754	OBCPSFJBFSBCFF-UHFFFAOYSA-N	314.353	1.032	50	20	DDGD	
O=C(NN=C1CC(=O)N2CCCC[C@@H]12)c1ccc(Cl)nc1	799477597	WMICWVXJYJIEOK-NSHDSACASA-N	306.753	1.606	50	20	DDGD	
C[C@H](Oc1ccc(C=NNC(=O)c2ccncc2)cc1)C(=O)O	794856628	NTLVOEWMACMZBA-NSHDSACASA-N	313.313	1.697	50	20	DDGD	
CC(=NNC(=O)c1nnc(-c2ccccc2)o1)c1ccnc(O)c1	790286653	CTDCIOBURHLSLX-UHFFFAOYSA-N	323.312	1.991	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1csc(O)n1	792029837	KUPHFLJCJWXJDV-UHFFFAOYSA-N	311.750	1.506	50	20	DDGD	
O=C(Cc1ccc2c[nH]nc2c1)NNC(=O)NC1CCCCC1	792796466	DJSSKKCZQRUXFT-UHFFFAOYSA-N	315.377	1.769	50	20	DDGD	
O=C(COc1cc(Cl)ccc1Cl)N1CC[C@@H](B(O)O)C1	585069168	LYABVWUIVZDYJN-MRVPVSSYSA-N	317.965	1.448	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1ccc(C(=O)N(C)C)cc1	792995664	MAKFIAUIBUQFJE-UHFFFAOYSA-N	318.377	1.154	50	20	DDGD	
Cn1cncc1CCC(=O)NNc1cccc(F)c1[N+](=O)[O-]	793989792	UVEFWWDPXYFPBY-UHFFFAOYSA-N	307.285	1.543	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cccc2[nH]ccc12	798316954	YWXXFMYPYUMUMW-UHFFFAOYSA-N	300.240	1.674	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)c1nc(O)nc(O)c1N	799759882	XXXYZQFKRORMGK-UHFFFAOYSA-N	303.322	1.098	50	20	DDGD	
CC(=O)NNC(=O)c1occc1CS(=O)(=O)c1ccccc1	798107761	JGQLDJSVNPQCGQ-UHFFFAOYSA-N	322.342	1.034	50	20	DDGD	
COC1CCC(CC(=O)NNc2nc3ccccn3n2)CC1	791263089	BAWFVBFNTHJLGH-UHFFFAOYSA-N	303.366	1.768	50	20	DDGD	
CC(=O)N1CCC[C@@H](CNC(=O)NNc2ccc(F)cn2)C1	793202632	MDIUKTLHYFEETM-NSHDSACASA-N	309.345	1.105	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2ccnn2-c2ccccc2C)n[nH]1	794525376	YSCMIACHLLZTRK-UHFFFAOYSA-N	308.345	1.976	50	20	DDGD	
COCCCCC(=O)NNC(=O)c1cncn1-c1ccccc1	1318063591	GAFZGVRZJAMXKF-UHFFFAOYSA-N	316.361	1.450	50	20	DDGD	
CC(C)(C=NNC(=O)c1cc2ccccc2o1)S(C)(=O)=O	1319491526	UMNGOGYAILHEIH-UHFFFAOYSA-N	308.359	1.972	50	20	DDGD	
O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NNC(=O)c1n[nH]c2c1CCCC2	1317734228	VKNDUGVGPHMVDE-SDDRHHMPSA-N	316.405	1.876	50	20	DDGD	
CCC1(C(=O)NNc2cncc(Br)c2)COC1	1319761867	PGVFWJSGXQHESJ-UHFFFAOYSA-N	300.156	1.714	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1cc2c(nc1O)CCCC2=O	1319952390	GGRAPRUPDQRBNF-UHFFFAOYSA-N	316.292	1.597	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2c(Cl)cnn2C)CC1	1324267299	WYKWMCZHIGJUSO-UHFFFAOYSA-N	311.817	1.646	50	20	DDGD	
Cn1c(C=NNC(=O)c2n[nH]c3c2CCCC3)nc2ccccc21	1320193917	PJAWAPOYISDUKL-UHFFFAOYSA-N	322.372	1.939	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2ccc(Cl)cn2)nc(C)n1	1320871353	SLCMSDSNWANWAO-UHFFFAOYSA-N	320.740	1.224	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cccc(N2CCNC2=O)c1	1320727401	YRTYSJBFJNJRQE-UHFFFAOYSA-N	311.345	1.677	50	20	DDGD	
CN(C)c1ncccc1C=NNC(=O)Cc1ccc(F)cc1	1323392686	XSUBFBCPUGYTIZ-UHFFFAOYSA-N	300.337	1.980	50	20	DDGD	
CC[C@H](CC(F)(F)F)C(=O)NNC(=S)NCCSC	1326502176	LRIBXLQAYSYPHO-SSDOTTSWSA-N	317.402	1.823	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)NCCC2CCC2)C[C@@H]1Br	1330962291	USIPBXFBPANLOW-GWCFXTLKSA-N	317.227	1.583	50	20	DDGD	
O=C(NN=C1CCOC2(CCOCC2)C1)c1cccc(F)n1	1330882377	FJZLYKPFGFEUHD-UHFFFAOYSA-N	307.325	1.666	50	20	DDGD	
Cc1ccc2c(c1)[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)CO2	1332077354	DYCNALVNZGLXRJ-DMDPSCGWSA-N	319.361	1.184	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](C(=O)NNc2ccc(F)c(F)c2F)C1	1336405934	UHZFDTOWSIZPTF-KNVOCYPGSA-N	302.252	1.746	50	20	DDGD	
CS[C@H](C)CNC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1331359572	RCRIESUPEMTQCO-SOCHQFKDSA-N	323.256	1.144	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H](F)CC)cc1	1335396474	GVZAISDIASBYAQ-ZWNOBZJWSA-N	312.341	1.748	50	20	DDGD	
CO[C@H]1CCC[C@H]1C(=O)NNC(=O)NCCc1cccs1	1335753843	IAYPWNPKGKKERZ-NEPJUHHUSA-N	311.407	1.436	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C[C@H](C)O2	1348224171	DZSMWOJCTJRYLL-ZJUUUORDSA-N	319.361	1.142	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNc2ccc(C)nn2)c1F	1343321766	JVRSNDRDXKJJNA-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H]1C[C@H](c2ccccc2)OC1=O	1347466084	CEECHTBVZIFGSY-NWDGAFQWSA-N	321.402	1.195	50	20	DDGD	
Cn1ccc(NNC(=O)CC2CN(C(=O)OC(C)(C)C)C2)n1	1344049420	QASPYFDAXSZHES-UHFFFAOYSA-N	309.370	1.120	50	20	DDGD	
Cc1ccccc1OCCC(=O)NNC(=O)C1CCOCC1	1350857958	VLWGQQJHHGUKKP-UHFFFAOYSA-N	306.362	1.338	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)C1CCC2(CC1)CC2	1350779832	QEXIZHJEMWBCOA-UHFFFAOYSA-N	309.410	1.409	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H]1C[C@H]1c1ccncc1	1290256715	YVYZTTQQJSYRGB-QWHCGFSZSA-N	322.434	1.059	50	20	DDGD	
Cc1nnc(CNC(=O)NNc2cccc(C(=O)O)c2C)s1	1600795822	IKXWUZJPNCUUIW-UHFFFAOYSA-N	321.362	1.679	50	20	DDGD	
CCc1[nH]c(C(=O)NNc2nccnc2OC)c(C)c1C(=O)O	1605767444	SPVYUZAZARBZJX-UHFFFAOYSA-N	319.321	1.139	50	20	DDGD	
C[C@H]1COCC[C@H]1CNC(=O)NNc1cccc(C(=O)O)c1	1604817914	FZCXVNJWYBNQJG-JQWIXIFHSA-N	307.350	1.684	50	20	DDGD	
Cc1cc(CNC(=O)/C(C#N)=C\c2cnn(C)c2)oc1C(=O)O	1600197454	OKZFLDSTGQSXMM-WCIBSUBMSA-N	314.301	1.243	50	20	DDGD	
C[C@H](CCCCN)NC(=O)NNc1ccc(C(=O)O)cc1F	1604131425	AAAPMSCTFOPMIX-SECBINFHSA-N	312.345	1.668	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1cccc([N+](=O)[O-])c1	1605820870	IUFAAQQIHFQIRH-UHFFFAOYSA-N	302.246	1.445	50	20	DDGD	
O=C(O)C1(C(=O)NNc2ccc(OC(F)(F)F)cc2)CC1	1608566052	HHZKSOBMVVOUSN-UHFFFAOYSA-N	304.224	1.893	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc[nH]1)C2	1800069596	HXXKSOGMBSFAEP-WRWGMCAJSA-N	324.812	1.679	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1ccc(F)c(O)c1	1550697849	WKZRKDGVSTYLHN-WFASDCNBSA-N	321.352	1.235	50	20	DDGD	
Cc1sc(CN)nc1C(=O)NNC(=O)Nc1ccccc1	1579934542	LMKHYBYXLRWEBU-UHFFFAOYSA-N	305.363	1.377	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1cccc(Br)n1)[C@@H](C)N	1575408005	JIOOSSOLRFESQY-KCJUWKMLSA-N	315.215	1.907	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCNC2CC2)c1C	1578877812	KYZNSTLLBARRGS-UHFFFAOYSA-N	306.366	1.160	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCCNC2)c(C)cc1Cl	1579565721	UMUATHIQEIYQMB-NSHDSACASA-N	309.797	1.717	50	20	DDGD	
CO[C@H]1CN[C@@](C)(C(=O)N(C)NC(=O)OCc2ccccc2)C1	1573957388	QBPOCBQVJGQJGY-CZUORRHYSA-N	321.377	1.053	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])[C@@H]1CC[C@H]2CCCC[C@@H]2N1	1580742984	LRILTOXJXVEZAM-WOPDTQHZSA-N	319.365	1.744	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)[C@@H]2C[C@@H]2C2CC2)C1	1841270608	LKEMZRWNCSCVDC-UTUOFQBUSA-N	314.788	1.770	50	20	DDGD	
CC1(C(=O)N2CCCC23CN(C(=O)CO[Si](C)(C)C)C3)CC1	1842585741	BTTFGOZFMLRGHT-UHFFFAOYSA-N	324.497	1.841	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)C(F)F)C2	1841667816	VMKQHVWOVZEKHN-SECBINFHSA-N	308.756	1.862	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1ccnc2ccncc12	1595262194	UMCVPZYIXGBVFO-UHFFFAOYSA-N	309.285	1.480	50	20	DDGD	
CC(C)(C)CC(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1	1841349738	LGTZRMCOJZBPFE-NSHDSACASA-N	316.829	1.226	50	20	DDGD	
Cc1cc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)ns1	1591929846	CPEOOBHGMOORLS-UHFFFAOYSA-N	301.335	1.389	50	20	DDGD	
CCC[C@H](CNC(=O)NNc1cccc(-c2nn[nH]n2)c1)OC	1590557047	GONKSKJTDAVDPR-GFCCVEGCSA-N	319.369	1.308	50	20	DDGD	
C[C@@H]1CCN(C(=O)/C(C#N)=C\c2cnn(C)c2)[C@H](C(=O)O)C1	1594396662	ZWPVOLISNVIKBF-AYWSEEJGSA-N	302.334	1.039	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2ccc(C(=O)O)s2)ccn1	1593709413	SZUYJTHWORQIOJ-UHFFFAOYSA-N	318.358	1.671	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C[C@@H](C)CC(=O)O	1597614984	NOBPOWMUIHZHIY-LLVKDONJSA-N	322.361	1.276	50	20	DDGD	
CCOc1cc(C=NNC(=O)N(C)C)ccc1OCC(=O)O	1776039918	WALRLJVEBBDMKJ-UHFFFAOYSA-N	309.322	1.154	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccccc2F)c(C)o1	5823588	JPCAMFVWKUXUNX-UHFFFAOYSA-N	306.293	1.876	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1)C(C)C	5704658	KOBWKWICUHQYRE-LBPRGKRZSA-N	311.769	1.262	50	20	DDGD	
CC(C)(CC(=O)O)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	16482133	YSMBYXWGHYWQQC-UHFFFAOYSA-N	323.305	1.247	50	20	DDGD	
CCCCNc1ccccc1C(=O)NNC(=O)c1cnn(C)c1	161251642	WPTRSKBDFIZFKZ-UHFFFAOYSA-N	315.377	1.707	50	20	DDGD	
O=C(CCl)NCCNC(=O)c1ccccc1C(F)(F)F	169917042	SCWDZJUJIBEVBP-UHFFFAOYSA-N	308.687	1.790	50	20	DDGD	
CN1CCC(NC(=O)NNc2ncnc3ccsc23)CC1	151416860	AVRVDXGUUJZRMI-UHFFFAOYSA-N	306.395	1.412	50	20	DDGD	
COCC(=O)NNC(=O)c1cc(-c2cc(C)ccc2C)n[nH]1	152778291	XSOUAFYWXLGJSO-UHFFFAOYSA-N	302.334	1.101	50	20	DDGD	
COc1cccc(-c2cc(C(=O)NNC(=O)NC(C)C)[nH]n2)c1	153528148	JMOOWQMGKIHRLC-UHFFFAOYSA-N	317.349	1.438	50	20	DDGD	
COc1ccc(NNC(=O)c2cn(-c3cccc(C)c3)nn2)nc1	159315827	ZLLWYSXENGHNGM-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
CCCc1noc(CCCC(=O)NNc2ccc(OC)cn2)n1	159384075	LRIINGDUKRISBQ-UHFFFAOYSA-N	319.365	1.892	50	20	DDGD	
COC1(CNS(=O)(=O)CBr)CCCCC1	772991754	ZYCOOESYRUWPCF-UHFFFAOYSA-N	300.218	1.608	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccccc2F)c1OC	509105	RMGKTKFQHIDRNJ-UHFFFAOYSA-N	318.304	1.918	50	20	DDGD	
N#CC1(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CCCC1	52736817	IVTZPFNCCGBWNQ-CYBMUJFWSA-N	315.329	1.058	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	102360708	LCYOOXDMPIDGPS-RMKNXTFCSA-N	314.301	1.408	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCOc1cccc(Cl)c1	109996161	LKSFZSITAHEYEK-UHFFFAOYSA-N	322.752	1.602	50	20	DDGD	
Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NNC(=O)CC#N	119332270	IYJLMWULHLLEAH-SNVBAGLBSA-N	309.753	1.785	50	20	DDGD	
CCCCc1ccc(CC(=O)NNC(=O)NCCCOC)cc1	65206871	XYLKTJLDKDFWHS-UHFFFAOYSA-N	321.421	1.939	50	20	DDGD	
O=C(NNC(=O)c1cnn(Cc2ccccc2)c1)c1cccnc1	20900535	UKUADWQLETYLFO-UHFFFAOYSA-N	321.340	1.401	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cc(Cl)ccc1OC(F)F	178193842	MBHGWVRXXJXORX-UHFFFAOYSA-N	321.711	1.264	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccccc1OC(F)(F)F	1342571807	AYUGZJYZLQJGIM-UHFFFAOYSA-N	307.228	1.120	50	20	DDGD	
C[C@H]1[C@@H](C)N(CCI)CC[S@@]1=O	306187801	NYWOSCZTAWBXFF-LWINAJNOSA-N	301.193	1.263	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCC(F)(F)F)ccc1[N+](=O)[O-]	60411699	DLQBQPXIZBBYBY-UHFFFAOYSA-N	320.227	1.410	50	20	DDGD	
N#Cc1cccc(NNC(=O)NCCOC[C@H]2CCCO2)c1	115846116	NTHINBVXCLEPDZ-CQSZACIVSA-N	304.350	1.380	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)CCN(C)c1ccccc1	111232118	XWUOJMCHJGDXJQ-ZDUSSCGKSA-N	306.410	1.001	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@@H](C)c2cccc(F)c2)n1	172942564	BUCDRIOHJNIXJI-LBPRGKRZSA-N	318.352	1.590	50	20	DDGD	
CCNC(=O)NNC(=O)C1(c2ccc(F)cc2)CCOCC1	65189249	UGRKIOVJNDLXSM-UHFFFAOYSA-N	309.341	1.224	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCc2nnc(C(C)C)o2)n1	176945219	DAXKNQYEORGPLD-UHFFFAOYSA-N	320.353	1.376	50	20	DDGD	
Cc1ccccc1OCC(=O)NNc1ncccc1[N+](=O)[O-]	120054530	DIRAQXJKSOUBCO-UHFFFAOYSA-N	302.290	1.820	50	20	DDGD	
CCCOc1cccc(CC(=O)NNc2nccc(OC)n2)c1	121817818	CDDIXYOFUXSRCG-UHFFFAOYSA-N	316.361	1.960	50	20	DDGD	
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NNc1nc(C)cc(C)n1	68632949	QUBYJMAXMNUSKP-LDYMZIIASA-N	308.386	1.023	50	20	DDGD	
CC[C@H](Cc1ccccc1)N(CC)CC(=O)NNC(=O)C1CC1	120451689	VTEVTGIMCYQRII-MRXNPFEDSA-N	317.433	1.887	50	20	DDGD	
CC(=O)CCCC(=O)NNc1nnc(-c2ccccn2)s1	188235027	BPKPLUFVNOCNQH-UHFFFAOYSA-N	305.363	1.803	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N[C@@H](COC)C1CC1)c1ccccc1	126810968	RZUZNCYWLNTKTC-CABCVRRESA-N	319.405	1.936	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2COCCO2)cc1	32671695	MIHABDLZZSTJJE-ZDUSSCGKSA-N	306.362	1.161	50	20	DDGD	
O=C(NCCCOc1ccc(F)cc1)NNC(=O)c1ccc[nH]1	125130068	NOXKQVQNQZGQQN-UHFFFAOYSA-N	320.324	1.567	50	20	DDGD	
CCOc1ncccc1NC(=O)C(=O)NNc1ccc(F)cc1	181387875	DCBGJGOXABZHMT-UHFFFAOYSA-N	318.308	1.701	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cnc(C(C)C)s1	133750956	DLEKFAXMMLRYGB-UHFFFAOYSA-N	300.384	1.247	50	20	DDGD	
Cc1n[nH]nc1C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	193678699	KXQPVSYRPNPMIR-UHFFFAOYSA-N	317.393	1.481	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)c1ccc(Cl)cc1F	81029888	YHUYGZMGGGMXEE-DTWKUNHWSA-N	314.700	1.049	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]c1=O)c1ccc(Cl)cc1F	82991617	ZOVOTCDXAGEEEI-UHFFFAOYSA-N	309.684	1.242	50	20	DDGD	
O=C(NNc1ccccc1OC(F)(F)F)C(=O)NC1CC1	190180106	SFXRTCBAFWJAHQ-UHFFFAOYSA-N	303.240	1.307	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNC(=O)[C@H](CC)c1ccccc1	135010978	XMIABENLEIOCID-CYBMUJFWSA-N	320.389	1.917	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCc2nccs2)cc1	195288689	BWWPDKGTJJSJJO-UHFFFAOYSA-N	318.402	1.892	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNC(=O)Nc1ccccc1	194340741	ZYACHUWQKNAJEG-UHFFFAOYSA-N	310.313	1.790	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC2CCN(CC3CC3)CC2)n1	193773205	OIUMLNOWQJHJLJ-UHFFFAOYSA-N	318.425	1.594	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C1CCC1)c1nc2ccccc2[nH]1	264700550	BJDSKQGZJBJWNK-SECBINFHSA-N	301.350	1.754	50	20	DDGD	
CC(C)(C(N)=O)N1CCN(/C(=C/C#N)c2ccc(F)cc2)CC1	267443412	IUBQSMPDIRUGRB-VIZOYTHASA-N	316.380	1.572	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1	269106500	VTDFUSLBTCJNHE-LOWVWBTDSA-N	304.350	1.959	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CNC(=O)CCC(C)C)n1	267154320	JCIWXSMCRAQMQC-UHFFFAOYSA-N	313.789	1.434	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)C2CCC2)c(OC)c1	264773415	ORNLCQRUFUZSQY-VQHVLOKHSA-N	304.346	1.665	50	20	DDGD	
CC(C)C(C)(C)C(=O)NNC(=O)[C@H]1COc2ccccc2O1	275873532	KEHMSJLVHQVFQZ-CYBMUJFWSA-N	306.362	1.656	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@H](NC(=O)NNC(=O)c2ccc(C)o2)C1(C)C	271771369	CVJYCBWQIUSDIA-ZMLRMANQSA-N	309.366	1.592	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(Cn2ccnc2)cc1	272692211	QTTCBGYGNHLRDF-UHFFFAOYSA-N	301.350	1.238	50	20	DDGD	
CC(C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1)=C1CCCC1	283012133	YCBVQIMUWOFJIP-UHFFFAOYSA-N	315.373	1.971	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NNc2cccc(F)n2)C1	286119906	AFQCHGPDPGKBDH-LLVKDONJSA-N	322.384	1.949	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)Cc2ccccn2)[C@H]2CCC[C@@H]21	296518991	ZXYJFNIFWRXUHE-KBPBESRZSA-N	316.405	1.875	50	20	DDGD	
COCCN(C)NC(=O)c1cccc(NC(=O)NC(C)C)c1	808074518	DWOJZYYOYSMPST-UHFFFAOYSA-N	308.382	1.440	50	20	DDGD	
CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)NNc1nnc[nH]1	298512528	ULBVEZPGPDSUJV-CYBMUJFWSA-N	312.374	1.331	50	20	DDGD	
O=C(CSC1CC1)NNC(=O)c1cc(-c2ccccc2)n[nH]1	294425195	RBYHNLXJZJVDJU-UHFFFAOYSA-N	316.386	1.733	50	20	DDGD	
CO[C@@](C)(CNC(=O)NNC(=O)Cc1ccc(F)cc1)C1CC1	291413020	FMDPSYTZCCYBAZ-INIZCTEOSA-N	323.368	1.514	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCN3CCCC[C@@H]23)s1	299189787	LOQPZXFEGBRNPI-RYUDHWBXSA-N	322.434	1.627	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)c1cccc(C)n1)OC	293698841	OGFOYDMKKAYDKK-UHFFFAOYSA-N	308.382	1.539	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)Cc2ccc(F)cn2)n1	807075490	AMRVZEBSTUTTOK-UHFFFAOYSA-N	318.356	1.543	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2c[nH]nc2C(C)(C)C)n1	294211080	LIBNUXWMPWBLQW-UHFFFAOYSA-N	301.350	1.485	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)nn1	802002833	DLWIUASIFMXJSS-UHFFFAOYSA-N	324.291	1.433	50	20	DDGD	
O=C(CCOC[C@H]1CCCO1)NNc1nccnc1C1CCC1	805471939	YAVYROWQSFUTTE-CYBMUJFWSA-N	320.393	1.773	50	20	DDGD	
Cn1cc(C(=O)NNc2ncccc2F)c(-c2ccoc2)n1	804217934	LHKQSIUYVZEXDS-UHFFFAOYSA-N	301.281	1.971	50	20	DDGD	
COCCOc1ncccc1C(=O)NNc1cccc(F)n1	804767642	CVPHEROFIYPQQS-UHFFFAOYSA-N	306.297	1.398	50	20	DDGD	
CCOc1cccc(CNC(=O)NNC(=O)[C@H]2CCCCO2)c1	296410786	QVOKOQHHFDJQSS-CQSZACIVSA-N	321.377	1.485	50	20	DDGD	
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NNc1cccc(Cl)n1	292866893	BOUAGVDRRZBHPV-DTWKUNHWSA-N	313.789	1.664	50	20	DDGD	
Cc1cc(C(=O)NNc2ncccc2F)n2nc(C)cc2n1	804214214	ULUAVNOBLPUTAJ-UHFFFAOYSA-N	300.297	1.637	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)C(C)(C)O)c2ccccc21	802711963	FFYZTIXDOMPDBU-CYBMUJFWSA-N	318.373	1.718	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNC(=O)c2ccccn2)cc1	809937464	SQGKJBREAOWZSF-UHFFFAOYSA-N	313.313	1.333	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCO[C@H](C(F)(F)F)C2)CC1	814912996	FDFDJRIWMSWKSG-JTQLQIEISA-N	308.304	1.041	50	20	DDGD	
O=C(CSc1nc2c([nH]1)CCC2)NNC(=O)c1cccs1	813583622	VYADDZIONJMICB-UHFFFAOYSA-N	322.415	1.513	50	20	DDGD	
CCOc1ccc(C(=O)NN=C(C)c2cc[nH]n2)cc1OC	814755240	XRVFJEGNWSJLTH-UHFFFAOYSA-N	302.334	1.971	50	20	DDGD	
Cc1nnc2n1C[C@@H](C(=O)NNc1cccc(Cl)n1)CC2	817008371	PRJMMFZPGKRDRC-VIFPVBQESA-N	306.757	1.341	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)Nc2ccc(OC)cc2)[nH]1	814998969	GCTYXMLXGMLMQI-UHFFFAOYSA-N	316.317	1.966	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)CCOc2ccccc2)C1	819806954	DUXHFPUYTPGTJE-UHFFFAOYSA-N	304.346	1.901	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cnc2c(F)cccc2c1	814103395	YNQDSTZEBDYXNK-UHFFFAOYSA-N	312.304	1.787	50	20	DDGD	
Cc1cccc(C=NNC(=O)CNC(=O)OC(C)(C)C)c1O	814898287	NTKMZHQNMOTMJK-UHFFFAOYSA-N	307.350	1.675	50	20	DDGD	
CN(CCC#N)c1ccc(C=NNC(=O)Cc2cc[nH]n2)cc1	814954809	OVMHAWYWAXPCRF-UHFFFAOYSA-N	310.361	1.452	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CSc2nc(C)c(C)[nH]2)c1	814779331	JUVQJMKRTXZSEA-UHFFFAOYSA-N	318.402	1.888	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)COC(F)F)cc1C	812722250	NBUINENKAMJIMH-UHFFFAOYSA-N	302.277	1.854	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)OCCCS(C)(=O)=O)cc1	728616376	UNQUSZZBLSTCPU-RAXLEYEMSA-N	323.370	1.580	50	20	DDGD	
CSc1ccc(NC(=O)C(=O)NNc2ncncc2F)cc1	815764691	QSVDLNMUJJPOHR-UHFFFAOYSA-N	321.337	1.419	50	20	DDGD	
C[C@@H](OCC1CC1)C(=O)NNc1nc(-c2cccnc2)no1	728074899	OAULHDVZUPZGDT-SECBINFHSA-N	303.322	1.390	50	20	DDGD	
N#Cc1ccc(NNC(=O)Cc2ccc(-c3nn[nH]n3)cc2)cc1	826386039	MIWRNTGVLMKVGA-UHFFFAOYSA-N	319.328	1.424	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccc(CCC(C)C)cc1	495407584	MBPYHVQUOIVUMB-UHFFFAOYSA-N	307.350	1.601	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCC1(NC(=O)OC(C)(C)C)CCC1	495255240	UPQBNWOPIWPHNJ-BENRWUELSA-N	323.393	1.994	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1Cc2ccccc2C(C)(C)C1	828505111	FALJOUGQYYVZOJ-UHFFFAOYSA-N	303.406	1.583	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@@H]2CCCOC2)cc1	727848476	LTVMBRLZHIIQTK-LLVKDONJSA-N	323.418	1.830	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccccn1	496354793	BPMYXPFOXHBPQZ-CYBMUJFWSA-N	316.361	1.448	50	20	DDGD	
CN(C)N(C(=O)C1CCC=CCC1)[C@H]1CCS(=O)(=O)C1	823014088	LBWDTLYHJRWAMK-ZDUSSCGKSA-N	300.424	1.225	50	20	DDGD	
O=C(NNC(=S)Nc1ccc(Cl)nc1)c1ccncc1	727064868	HJGNJMFMIGUVRF-UHFFFAOYSA-N	307.766	1.761	50	20	DDGD	
C[C@H]1CC(=NNC(=O)NCCNC(=O)OC(C)(C)C)CCO1	494589375	ITQZWNPINFRSFT-JTQLQIEISA-N	314.386	1.365	50	20	DDGD	
Cc1ccnc(NNC(=O)c2ccc(-c3nn[nH]n3)cc2C)c1	826314767	LXJYLEDNRAWBNV-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C[C@@H]1CC[C@@H]2C[C@H]12	824044078	JRYNZLQOAOVHPW-AGIUHOORSA-N	317.389	1.691	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H]2CCCCN(C)C2=O)c1	824862309	COBLWCXVSHOFMW-SNVBAGLBSA-N	309.391	1.076	50	20	DDGD	
CC(C)C[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccc2c(c1)OCCO2	822293434	YEZIICPTVQXNIB-CHWSQXEVSA-N	318.373	1.901	50	20	DDGD	
N#Cc1csc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1	826387762	PVQCVFGWDHCDBE-UHFFFAOYSA-N	311.330	1.557	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)Cc1ccc(Br)c(F)c1	823939529	LKZHEYMSHOMPFH-QMMMGPOBSA-N	319.174	1.475	50	20	DDGD	
C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc(B(O)O)cc1	584947436	PVRDQQCMUPVREV-BBRMVZONSA-N	309.174	1.385	50	20	DDGD	
O=C(CN1CSCCSC1)NN=c1cc[nH]cc1Cl	907408962	VCZBTDMTUAMITK-UHFFFAOYSA-N	318.855	1.297	50	20	DDGD	
O=C(/C=C\c1ccsc1)NN=c1nc(-c2cccnc2)[nH]o1	491741489	LAKHFMKFPBXQSI-ARJAWSKDSA-N	313.342	1.772	50	20	DDGD	
CCOCC(=O)NN=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1C	496375511	OSKOOJSJTVYFOZ-NSHDSACASA-N	313.398	1.772	50	20	DDGD	
Cc1cccc2oc(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)cc12	823475606	QJUDAQNMNKTFPT-WDEREUQCSA-N	302.330	1.927	50	20	DDGD	
COC(=O)N(C)NC(=O)C[S@](=O)c1ccc(Cl)cc1	908112792	JAMSPFXYDRJCPY-IBGZPJMESA-N	304.755	1.177	50	20	DDGD	
CC(C)(NC(=O)O)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	736337501	RFNIXEYSURUESA-UHFFFAOYSA-N	321.377	1.791	50	20	DDGD	
CCO[C@H](Cc1nc(-c2cccc(B(O)O)c2)no1)C(C)C	585053027	FWXCBNUXBJILIQ-CYBMUJFWSA-N	304.155	1.020	50	20	DDGD	
Cc1cc(Cl)cc(C)c1S(=O)(=O)NNC(=O)N(C)C	901621312	HGZBGHUMWMOLPK-UHFFFAOYSA-N	305.787	1.421	50	20	DDGD	
C[C@H]1[C@@H](c2ccccc2)C[C@H]1NCc1ccc(B(O)O)cc1F	585028892	SHVYCXPURPKYBU-ULFGMLNVSA-N	313.181	1.787	50	20	DDGD	
CN1C[C@H](COC(=O)[C@H](Br)C(C)(C)C)OC1=O	495663470	CUKCBTQGCIYOEO-SFYZADRCSA-N	308.172	1.790	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)/C(C#N)=C/c1ccc(F)cc1	491053495	YQBFFWHFFNEZFA-IZZDOVSWSA-N	313.292	1.225	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@@H]2CC[C@@H](C)O2)cc(C#N)n1C	491046173	GRFBHONUTDUAKD-GTCUHMIMSA-N	312.373	1.796	50	20	DDGD	
O=C(NNc1ncccn1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	730211060	XFPHWAZOKOFRIV-JTQLQIEISA-N	315.308	1.112	50	20	DDGD	
CO[C@@H]1COCC[C@@H]1CNC(=O)/C(C#N)=C\c1ccc(O)cc1	491012852	SEJNMCFUUFXEFO-HMPIOBDVSA-N	316.357	1.467	50	20	DDGD	
CCc1ccnc(CNC(=O)NNC(=O)[C@H]2CCCCO2)c1	838576985	WWKXPKRWOMJXRP-CYBMUJFWSA-N	306.366	1.044	50	20	DDGD	
CN(NC(=O)C1(CNC(=O)OC(C)(C)C)CCCC1)C(N)=O	494366221	UDUMYXIXEVIDPT-UHFFFAOYSA-N	314.386	1.113	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc(C)c(Cl)c1	901966993	WDLWPBUDONLNNZ-UHFFFAOYSA-N	314.794	1.761	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@@H](C)C1CCC1	839482896	OQHKHTCDZPKXGT-NSHDSACASA-N	305.378	1.691	50	20	DDGD	
O=C(NNc1ncccc1Cl)c1sccc1-c1nn[nH]n1	738137910	UZSBQYJVIQCLJN-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)OCCCOCC(F)(F)F)cn1	837970978	KOKKHRWQVXJMKE-VZUCSPMQSA-N	317.267	1.839	50	20	DDGD	
CC(=O)N[C@@H](CCC(C)C)C(=O)NNc1ccc(C#N)cc1	830776264	DFNCKCGBLAHAMA-HNNXBMFYSA-N	302.378	1.942	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)N[C@H]1CC[C@@H](C(=O)O)C1	831077427	MBHZCFBCOMBIPJ-SFYZADRCSA-N	321.362	1.571	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)CSC2CC2)cc1	837869607	JIIVDSDDDKJDLW-UHFFFAOYSA-N	322.386	1.195	50	20	DDGD	
O=C1COc2ccc(C(=O)NNc3ccc(Cl)nn3)cc2N1	735687769	YMHSDPZINHTCPJ-UHFFFAOYSA-N	319.708	1.218	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H]2CCN(C3CC3)C2)cc1	734285330	KEDWXHVIOAWRLQ-AWEZNQCLSA-N	316.405	1.430	50	20	DDGD	
CC[C@H](C(=O)NNc1cccc(Br)n1)C(=O)OC	837212944	XJAXELCTHUZPBO-SSDOTTSWSA-N	316.155	1.486	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CCCCN2C)cc1F	837049849	ATAYSIJEFIHMEU-CYBMUJFWSA-N	309.341	1.540	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1CCc2ccccc2O1	839725113	LMSILUORHKKFSU-LBPRGKRZSA-N	300.318	1.322	50	20	DDGD	
O=C(O)NNC(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1	833281420	ZPNCTNVZGVHFGQ-HXUWFJFHSA-N	311.241	1.618	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2C[C@@]23CCOC3)c(F)c1	837206753	GPGFDUKEMUIVNJ-MEBBXXQBSA-N	308.309	1.482	50	20	DDGD	
C[C@H](c1ccco1)N(C(=O)c1cc(B(O)O)ccc1F)C1CC1	584934468	OOILHQQFRPWKOL-SNVBAGLBSA-N	317.125	1.464	50	20	DDGD	
CC(C)(C)OC(=O)CCCCNC(=O)NNc1ccncn1	836386332	NTXIPHJOQBJTQJ-UHFFFAOYSA-N	309.370	1.615	50	20	DDGD	
CSSCCNC(=O)N[C@@H]1C[C@H]2CCCCN2C1=O	836448923	ZKJNYAWUDORYNH-NXEZZACHSA-N	303.453	1.450	50	20	DDGD	
CCCCC(=O)N1CSC[C@H]1C(=O)NNC(=O)C1CCC1	732145019	MVKPMDKQHRRPIU-NSHDSACASA-N	313.423	1.026	50	20	DDGD	
CCOCC(=O)NN=C1C(=O)Nc2c1ccc(Cl)c2Cl	731152404	FWJGYUPHYFTQMA-UHFFFAOYSA-N	316.144	1.802	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@H]2CCOC(C)(C)C2)o1	836674999	VTJXIRZCARHIRV-NSHDSACASA-N	309.366	1.737	50	20	DDGD	
N#C/C(=C\c1ccnc(Cl)c1F)S(=O)(=O)NC1CC1	834434482	KNLXCAZWMIBCEU-WEVVVXLNSA-N	301.730	1.820	50	20	DDGD	
Cn1cnnc1CCCNC(=O)[C@]1(C)C[C@H]1Br	908328966	XORAEQZUFSTZHR-LDYMZIIASA-N	301.188	1.037	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1ccco1	831794224	GMNMRMSDDFEEQT-NTMALXAHSA-N	323.349	1.355	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)O[C@H]2CCN(C)C2=O)cc1	734884229	RKYBZIGDILBIIG-TZIYXEQSSA-N	300.314	1.376	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCc2ccc(C(=O)O)cc2C1	833422369	ZKQHHGYMQIZYHQ-UHFFFAOYSA-N	319.361	1.530	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(C(F)(F)F)cn1	732084434	GVFMDHINEHOIDB-UHFFFAOYSA-N	313.239	1.207	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCc1cocn1)c1ccccc1	732246847	VFCXWMMCTFZTHG-CYBMUJFWSA-N	302.334	1.699	50	20	DDGD	
CC(=NNC(=O)[C@H]1COc2ccccc2O1)c1ccc(N)cc1	916542172	UYNDKIBOHLOGNK-MRXNPFEDSA-N	311.341	1.949	50	20	DDGD	
O=C(O)[C@H]1CCC[C@@H](C(=O)NNc2ncccc2[N+](=O)[O-])C1	833183901	LXFDASIIZQFHSO-BDAKNGLRSA-N	308.294	1.324	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(C(=O)NN(C)C[C@@H](C)O)cc1Cl	910151157	YUCXUAORPDKDNC-MRVPVSSYSA-N	301.730	1.514	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[C@H]1[N+](=O)[O-]	839709580	RYFAGIIWPZYEKT-HZGVNTEJSA-N	300.658	1.357	50	20	DDGD	
COc1ccnc(NNC(=O)NCCC2CC(F)(F)C2)n1	838733570	KXHYTJBFZHUUCR-UHFFFAOYSA-N	301.297	1.547	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H](CC(C)C)NC(=O)O)n1	830765799	WGBKQZHZNZTPFT-MRVPVSSYSA-N	315.761	1.564	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCC[C@@H]2C[C@H]3CC[C@H]2O3)n1	838755651	MDKLMQWXNYOGJC-IJLUTSLNSA-N	321.381	1.377	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)c2ccccc2O)c2ccccn12	741284902	VMOVENKDUIKSNK-UHFFFAOYSA-N	310.313	1.423	50	20	DDGD	
Cc1cc(C(=O)NN(C)C[C@@H](C)O)ccc1NC(=O)CC(C)C	910161990	BZYRHMLGRQGZJK-CYBMUJFWSA-N	321.421	1.937	50	20	DDGD	
Cc1csc(CCCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n1	843970667	JDRPHYDIAICTRV-WDEREUQCSA-N	311.407	1.347	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1c(C)noc1C(C)C	740852089	JWQXSRZLMKGAIO-UHFFFAOYSA-N	324.381	1.172	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2c(C)noc2C(F)F)n1	746634969	XUHPQBNSGKDUQU-UHFFFAOYSA-N	313.264	1.785	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CCOCC(F)(F)F)n1	748335225	OFFQKEVYMHCHBO-UHFFFAOYSA-N	312.679	1.851	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccccn1)n1cnc2ccccc21	915059242	HDPCCMAUSQKCHD-LLVKDONJSA-N	309.329	1.454	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@@H]2C[C@H]2C2CCC2)c1	846628509	RZSCRKVILXGTJG-LSDHHAIUSA-N	317.389	1.691	50	20	DDGD	
CC(C)Nc1ncccc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843979885	QQIJXUDJZCETEY-QWRGUYRKSA-N	306.366	1.088	50	20	DDGD	
C[C@@H]1C[C@H](CNC(=O)NNC(=O)Cc2ccc(F)cc2)[C@@H](C)O1	840435621	MECUHYCQEDMMQG-NQBHXWOUSA-N	323.368	1.512	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCCNC(C)C)cc1	841933981	MUMOFXBFFOVAPJ-UHFFFAOYSA-N	306.410	1.581	50	20	DDGD	
CCCCc1ccc(C(=O)NNC(=O)N2CCOCC2)cc1	745992266	YCUPIZXOLZOYJY-UHFFFAOYSA-N	305.378	1.716	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCc1cn2c(n1)CCCC2	916578689	PTZOTRHHAISFHK-UHFFFAOYSA-N	307.398	1.138	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)C(C)(C)C)C(=O)OC(C)(C)C	847426517	GSSVTXPIQQYUHS-VIFPVBQESA-N	301.387	1.341	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H](C)C(=O)OC(C)(C)C)nn1	847426064	DOFOMIPPIPGZII-VIFPVBQESA-N	309.370	1.389	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2COc3ccc(F)cc32)n1	918152443	KOSIPYRBJGLQIA-UHFFFAOYSA-N	302.309	1.552	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCCOC[C@@H]2CCOC2)n1	740920649	LTIBQOBIZNDBLM-ZDUSSCGKSA-N	323.397	1.163	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)[C@H]1CC12CCOCC2	748852234	PSUVVGGJISUZIQ-LLVKDONJSA-N	324.402	1.350	50	20	DDGD	
COc1cc(OC)c(OC)cc1C=NNC(=O)[C@@H]1CCO[C@H]1C	842556165	QWXGVOZTMSUPSL-CMPLNLGQSA-N	322.361	1.588	50	20	DDGD	
Cc1cc(C)cc(OCCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	843647009	XOFLSWRNRMJIRM-UKRRQHHQSA-N	320.389	1.645	50	20	DDGD	
COc1ccc(Br)c(C=NNC(=O)CN(C)C)c1	747751191	ITZIBMQNBVBQBD-UHFFFAOYSA-N	314.183	1.469	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cccc3c2OCO3)n1	915951084	IXSUHZDHXLXBGC-UHFFFAOYSA-N	300.318	1.379	50	20	DDGD	
O=C(NN=Cc1cnc(C2CC2)nc1)[C@H]1COc2ccccc2O1	841605905	XSXIBCWOMXYJAA-OAHLLOKOSA-N	324.340	1.644	50	20	DDGD	
COc1ccc2c(c1)c1c(n2CC(=O)NNC(C)=O)CCCC1	845072056	IJAAEIBVBMHPJN-UHFFFAOYSA-N	315.373	1.696	50	20	DDGD	
O=C(C[C@H]1CCOC1)NNC(=O)c1ccc(Cl)cc1F	747332260	JSOZXEQTBZRWFT-MRVPVSSYSA-N	300.717	1.667	50	20	DDGD	
COc1cc(CCNC(=O)NNC(=O)CC(C)C)ccc1C	741273999	GWDLESAQALPIKY-UHFFFAOYSA-N	307.394	1.923	50	20	DDGD	
COc1ccc(NCC(=O)NN=C2CCCn3ccnc32)cc1	848400693	NENWMOUNJVIGJW-UHFFFAOYSA-N	313.361	1.618	50	20	DDGD	
N#Cc1cccc(NNC(=O)N[C@@H]2CCN(CC(F)F)C2)c1	842197385	VXSKXIMOKGHRMO-GFCCVEGCSA-N	309.320	1.524	50	20	DDGD	
CNC(=O)NNS(=O)(=O)c1cc(C(C)(C)C)ccc1OC	842580060	FYYFKKYCNCXINZ-UHFFFAOYSA-N	315.395	1.115	50	20	DDGD	
COc1ccc(NNC(=O)NCC(C)(C)OCC2CC2)nc1	841588728	BRIDEVMJSCPXFN-UHFFFAOYSA-N	308.382	1.922	50	20	DDGD	
N#Cc1cccc(NNC(=O)N[C@H]2CCN(CC(F)F)C2)c1	842197386	VXSKXIMOKGHRMO-LBPRGKRZSA-N	309.320	1.524	50	20	DDGD	
CC(C)Cn1nccc1C(=O)NNc1ncccc1[N+](=O)[O-]	844134243	CJCFPWKCGAEEOO-UHFFFAOYSA-N	304.310	1.599	50	20	DDGD	
CCNc1nc(C)c(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)s1	844147397	WKIBMQWCDCZBOU-DTWKUNHWSA-N	312.395	1.069	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)[C@H]2CCCS(=O)(=O)C2)c1	845857167	QKVNHVMLJHNZOQ-JTQLQIEISA-N	300.355	1.402	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2cc(C3CC3)nn2C)n1	927612472	DDODGCFMDVWNIL-UHFFFAOYSA-N	315.381	1.531	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CCC[C@@H](C#N)C2)cc(C#N)n1C	928229054	MKLKDZYHOMBQPZ-CODCLWSRSA-N	307.357	1.874	50	20	DDGD	
COc1cccc([C@@H](O)CNC(=O)NNC(=O)C2CCCC2)c1	753340852	YAGPSCAUNWXTAT-AWEZNQCLSA-N	321.377	1.249	50	20	DDGD	
CCC[C@H](OCC)C(=O)NN(C)C(=S)NCCCOC	858164392	VYLSWUMPLOTHDF-NSHDSACASA-N	305.444	1.066	50	20	DDGD	
CC(C)CC(=O)NN=Cc1cc2c(cc1[N+](=O)[O-])OCCO2	920364262	QNIWANDVNBXORV-UHFFFAOYSA-N	307.306	1.862	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCN3CC[C@H]2C3)cc1	854728056	MBKQOOCUCWIMAR-SFKKXYGYSA-N	311.385	1.909	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1C(=O)NNc1ccnc(F)c1	757590995	HNHCDXBNKUGYOE-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=Cc1cccc(C#N)c1	853409798	POVROMVYYQDOQL-UHFFFAOYSA-N	314.389	1.951	50	20	DDGD	
CC(=O)N[C@H](CC(C)C)C(=O)NNC(=O)c1ccccc1F	858121303	BHEYCAYKBKJRKQ-CYBMUJFWSA-N	309.341	1.138	50	20	DDGD	
CC1CC(C#N)(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)C1	758157941	LSRQCFYWLZSCHX-CSJGVYOVSA-N	319.336	1.680	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc(Cn3ccnc3)c2)o1	752777600	NTHHBQNODWSTDE-UHFFFAOYSA-N	324.340	1.908	50	20	DDGD	
O=C(NN=Cc1cc2ccccc2s1)C(=O)N1CCCC1	758375783	ZVFZFDHWUITYPY-UHFFFAOYSA-N	301.371	1.974	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1ccc(Cl)cn1)C1CCCC1	856095648	QTYDBFXIOSEAEV-ZDUSSCGKSA-N	310.785	1.873	50	20	DDGD	
CCO[C@H](C(=O)NNc1nc(-c2ccccc2)no1)C1CC1	859315334	BJHZECDILMHPDL-LBPRGKRZSA-N	302.334	1.995	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Cc1ccc2c(c1)COC2	754323537	CZRJKJBMXXLBNX-UHFFFAOYSA-N	311.341	1.044	50	20	DDGD	
C[C@@H](O)c1cn(CC(=O)NNc2cc(F)cc(Cl)c2)nn1	855618297	ADQZZGUCDDRQNF-SSDOTTSWSA-N	313.720	1.267	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCCO1)C(=O)NNC(=O)CC(F)(F)F	921203417	JJXSJVRQIUUVSN-BDAKNGLRSA-N	312.288	1.060	50	20	DDGD	
O=C(NN=C1CCOc2c(F)cc(F)cc21)c1cnccn1	920375976	SAWGTCRBWVHFGD-UHFFFAOYSA-N	304.256	1.671	50	20	DDGD	
CC1(CNC(=O)NNC(=O)c2cn[nH]c2)Cc2ccccc2C1	858338180	DDWDADKICZUYFW-UHFFFAOYSA-N	313.361	1.159	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNc1ccc(C(F)(F)F)nn1	755197288	HOXSVQFYPHUWJY-QMMMGPOBSA-N	303.288	1.423	50	20	DDGD	
Cc1cnccc1C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855825398	DUYIJQYFUYRQDS-UHFFFAOYSA-N	320.393	1.094	50	20	DDGD	
Cc1cc(=O)c(C(=O)NC[C@@]2(C)C[C@H]2Br)cn1C	857388812	WFUPJTDXRPZMML-DGCLKSJQSA-N	313.195	1.597	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cnn(-c2ccc(Cl)cc2)n1	751731762	SDDLRLXZDNHEDC-UHFFFAOYSA-N	322.756	1.275	50	20	DDGD	
COC(=O)c1ccc(NC[C@]2(C)C[C@H]2Br)nn1	856786149	ODRYZENCOJBSAN-KCJUWKMLSA-N	300.156	1.849	50	20	DDGD	
O=C(CCc1nc[nH]n1)NNc1cc(C(F)(F)F)ccn1	857513575	GSEPCHHMUPWQDM-UHFFFAOYSA-N	300.244	1.294	50	20	DDGD	
CCC/C(C)=C/C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855830825	UODLNROAVNYLGN-VAWYXSNFSA-N	311.426	1.823	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cccnc1SC(F)F	854926865	NPLUSELFENNCCC-UHFFFAOYSA-N	306.363	1.477	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCc1cnc(N(C)C)n1C	853833845	MGGSARROZWYNRD-UHFFFAOYSA-N	320.372	1.760	50	20	DDGD	
CC(C)(C)n1nnc(CNC[C@@]2(C)C[C@H]2Br)n1	856809912	RRUDFWGLNXBEFS-LDYMZIIASA-N	302.220	1.691	50	20	DDGD	
O=C(NC[C@@H]1CCN1Cc1ccccc1)NNc1ccccn1	852701525	CUGZWWLSUKDSIS-HNNXBMFYSA-N	311.389	1.982	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2C[C@@]23CCCNC3)C[C@@H]1Br	857007059	DFWBKNBGUOXORH-YRRQLQLVSA-N	301.228	1.666	50	20	DDGD	
CCCCO[C@H]1C[C@@H](NC(=O)NNC(=O)c2cn[nH]c2)C1(C)C	858267768	HPSXJBNPPWZYTO-NEPJUHHUSA-N	323.397	1.338	50	20	DDGD	
O=C(NN=Cc1cc(Cl)ccc1F)[C@H]1CCS(=O)(=O)C1	753696313	VHCRJUHCWUAOPD-QMMMGPOBSA-N	318.757	1.364	50	20	DDGD	
Cc1ccc(NNC(=O)NC2CCN([C@H]3CCOC3)CC2)nc1	852636901	OWLHLCPPJBGKPO-AWEZNQCLSA-N	319.409	1.269	50	20	DDGD	
C[C@@H]1CN(C2CC2)CC1=NNC(=O)c1cccc([N+](=O)[O-])c1	755874712	PYZJEFYTVIHFEH-SNVBAGLBSA-N	302.334	1.795	50	20	DDGD	
CC[C@@]1(C)CCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1	758749887	XOOIHLFRRLVBGB-INIZCTEOSA-N	307.369	1.709	50	20	DDGD	
CSSCCNC(=O)c1ccc2c(c1)N(C)C(=O)CO2	861575936	PWWUWQAIUICQFC-UHFFFAOYSA-N	312.416	1.783	50	20	DDGD	
C[C@@H]1CC(C)(C)CC1=NNC(=O)CNC(=O)c1cccnc1	766025372	MDXZSZNIZOWMEX-LLVKDONJSA-N	302.378	1.740	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)OC[C@H]2COC(=O)O2)c1	763896319	LQQUOEMKMOTEAJ-KKNAONHISA-N	303.270	1.681	50	20	DDGD	
Cn1cc(N2C[C@H](C(=O)NNc3cccc(F)c3)CC2=O)cn1	860317423	VDQIMWUTIPNFEG-SNVBAGLBSA-N	317.324	1.055	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2C[C@@]23CCOC3)cc1C	763732440	FLPSXYCWLADTDK-WMLDXEAASA-N	318.373	1.256	50	20	DDGD	
Cc1cc(NNC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)nc(C)n1	863880662	BYSQYAQGUKAKBJ-JKSUJKDBSA-N	318.377	1.658	50	20	DDGD	
CC[C@@]1(C(=O)NNc2cccc3c2CCCC3)CCNC1=O	866873395	BYDMTMDUSDUYDV-QGZVFWFLSA-N	301.390	1.925	50	20	DDGD	
C[C@H](NNC(=O)C(=O)Nc1ccc(Cl)cc1)C(F)(F)F	862308038	WMRAIHGLSMNXOE-LURJTMIESA-N	309.675	1.850	50	20	DDGD	
CCCN(CC)c1ccc(C(=O)NNC(=O)c2cn[nH]c2)cn1	862474149	GLUUVZQUKVDWTB-UHFFFAOYSA-N	316.365	1.116	50	20	DDGD	
CS(=O)(=O)CC(=O)NNC(=O)c1ccc(C2CCCC2)cc1	863465973	KBCCEIIVJFSSLX-UHFFFAOYSA-N	324.402	1.150	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(C)[C@H]2CCSC2)c1	764105848	OCMAFLJKZZCOKO-ZDUSSCGKSA-N	307.419	1.193	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc(OC)c(Cl)n2)n1	767032236	ZRBYLSSIHQYXCX-UHFFFAOYSA-N	309.713	1.299	50	20	DDGD	
Cc1ncncc1C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	1115852747	KQIXKQINVKBYJS-UHFFFAOYSA-N	322.328	1.250	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2coc(C3CCOCC3)n2)n1	769678637	ZCZCHMJQAJJHLH-UHFFFAOYSA-N	317.349	1.732	50	20	DDGD	
COc1cc(Cl)c(C=NNC(=O)C(C)(C)O)cc1OC	872368372	UVZYQYOMLYKNFY-UHFFFAOYSA-N	300.742	1.578	50	20	DDGD	
Cn1nc(NC(=O)NC[C@]2(C)C[C@@H]2Br)ccc1=O	879905714	QIGKRVRAANLCJR-CPCISQLKSA-N	315.171	1.075	50	20	DDGD	
CC(C)(C)c1n[nH]cc1C(=O)NNC(=S)Nc1ccccn1	874956256	RBPYQKXGJKKQAA-UHFFFAOYSA-N	318.406	1.734	50	20	DDGD	
Nc1cnnc(NNC(=O)NCCOc2ccccc2)c1Cl	1116300381	XKLWJXQZUNUSES-UHFFFAOYSA-N	322.756	1.417	50	20	DDGD	
COc1c([N+](=O)[O-])ccc(C=NNC(=O)c2ccccn2)c1O	772991895	YAVIWJYSDWGVOH-UHFFFAOYSA-N	316.273	1.468	50	20	DDGD	
CCCOc1ccc(NC(=O)C(=O)NNc2ncccn2)cc1	773718365	FDNHGKYZCSXEGB-UHFFFAOYSA-N	315.333	1.347	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cccc(NC(=O)C2CC2)c1	770333515	MMEOMFBJMSJMGT-UHFFFAOYSA-N	304.350	1.844	50	20	DDGD	
CC[C@@H](C)n1nc(C(=O)NNC(=O)c2cccn2C)cc1C	777907647	YPILSEHHOFOMPN-SNVBAGLBSA-N	303.366	1.576	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C[C@@H]1CCC[C@H]1C	772362832	DBKBCJGIEMOUEL-AGIUHOORSA-N	312.410	1.938	50	20	DDGD	
CC(C)[C@@](C)(O)C(=O)NNC(=O)CSc1ccccc1O	771439553	KECSHSLZZVUPMZ-CQSZACIVSA-N	312.391	1.039	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)Cc2ccccc21	873051838	IBVLSNXSIBEIDA-XUJVJEKNSA-N	317.389	1.772	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)CC2OCCO2)c1	874946562	NLYMVBVAQZFGOW-UHFFFAOYSA-N	313.354	1.215	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)NOC1CCCCC1	777717892	YSDGLBOBLGUVEU-UHFFFAOYSA-N	323.349	1.366	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2cc(C)no2)nc1C	778428125	HZYOARKIDGCAPU-UHFFFAOYSA-N	305.294	1.015	50	20	DDGD	
Cc1cccc(NNC(=O)NCc2cnc3n2CCCC3)n1	875572476	KFWUVLKGKJAITK-UHFFFAOYSA-N	300.366	1.749	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c2ccccc2n1	770850488	CTTJYKNFLPIPNU-NEPJUHHUSA-N	313.357	1.729	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2CCN(C)[C@@H]2C)cc1C	873762326	VAEPKGCTMRELCA-TZMCWYRMSA-N	320.462	1.961	50	20	DDGD	
COC(=O)Cn1ccc(NC(=O)NNc2ccc(C#N)cc2)n1	775627269	QJILHUWNVPNLMN-UHFFFAOYSA-N	314.305	1.076	50	20	DDGD	
Cc1nc2cc(C(=O)NNC(=O)C3CCOCC3)ccc2o1	883069872	ZCEZHCVVOBWRBL-UHFFFAOYSA-N	303.318	1.324	50	20	DDGD	
O=C(COC(=O)C[C@H]1C=CCCC1)NNC(=O)c1ccccc1	778397384	BXPRVOVWDLNNCD-ZDUSSCGKSA-N	316.357	1.737	50	20	DDGD	
O=C(Cc1cc(F)c(F)cc1F)NNC(=O)C1CCOCC1	883066092	KCYPPCOFCCMFKP-UHFFFAOYSA-N	316.279	1.220	50	20	DDGD	
COC[C@H](C)CC(=O)NNc1cccc(S(C)(=O)=O)c1	776534705	QDTLPWACCGRGKY-SNVBAGLBSA-N	300.380	1.206	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)Cc1ccc(C)cc1	772240836	LGPFLSHFUZWSKZ-STQMWFEESA-N	320.389	1.663	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	770545255	WYPBDDILVOZKDO-UHFFFAOYSA-N	305.313	1.522	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@@H](C)c1ccncc1	772204164	VANAWMBIKGXTDJ-MNOVXSKESA-N	307.350	1.064	50	20	DDGD	
O=C(NNc1ccc(F)cc1)c1ccnc(N2CCNCC2)c1	884084429	QPHLLIWLTKOEQO-UHFFFAOYSA-N	315.352	1.387	50	20	DDGD	
CNC(=O)CC[C@H]1CCCCN1S(=O)(=O)CCCCl	882194650	JSYIZFRAIGEWEF-LLVKDONJSA-N	310.847	1.326	50	20	DDGD	
COC(=O)CCc1cccc(NC(=O)NNC(=O)C(C)C)c1	881095257	LUHMCVDBUANRLO-UHFFFAOYSA-N	307.350	1.601	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccnc(O[C@@H](C)CC)c1	887146588	DLMSWKXMXGCSOK-LBPRGKRZSA-N	303.362	1.823	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)NC[C@H]1C=CCC1	883832793	LNXXMNOIEDBAQD-NSHDSACASA-N	307.325	1.501	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](O)C2CCCCC2)c([N+](=O)[O-])c1	783677461	AELJREKOSUYRIN-CQSZACIVSA-N	323.349	1.988	50	20	DDGD	
N#CCCNC(=O)NNC(=O)CCSc1ccc(F)cc1	787357605	LPWWFDLZLVVLAP-UHFFFAOYSA-N	310.354	1.552	50	20	DDGD	
O=C(Cc1ccncc1)NN=Cc1ccc2c(c1)NC(=O)CO2	788716037	JDOIYNHPKSOCFI-UHFFFAOYSA-N	310.313	1.105	50	20	DDGD	
O=C(NNc1ccccc1F)C(=O)Nc1ccc2c(c1)OCO2	782702876	SLNHZHLFSLIXKF-UHFFFAOYSA-N	317.276	1.636	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccc(C)nc2O)c1	780796174	MFETZXBZKVCEOT-UHFFFAOYSA-N	301.302	1.639	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)[C@@H]1[C@H]2CCCO[C@H]21	780669228	DKFYJJOFIRTQKK-BDODKLCJSA-N	302.256	1.364	50	20	DDGD	
COc1ccc(F)c(C(=O)NNC(=O)c2ccncc2)c1OC	788489184	SZFLQTRDVGCGJU-UHFFFAOYSA-N	319.292	1.313	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Cc2cncs2)cc1C	782667656	WIQHIDGXIUPYOF-UHFFFAOYSA-N	319.386	1.529	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)CCC1CCCC1	788223418	JESUPJWHSKQZAA-UHFFFAOYSA-N	311.407	1.748	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)Cc2ccn(C)n2)c1C	782851749	SLJKWDKXUBMTLV-UHFFFAOYSA-N	317.418	1.597	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@]2(C)CCCOC2)c1	781104378	SULKENSIYOXCDM-MRXNPFEDSA-N	322.361	1.282	50	20	DDGD	
CC(C)(C)C(=O)NC1CCC(C(=O)NNC(=O)NC2CC2)CC1	788740492	AAPBFUUZASPHOX-UHFFFAOYSA-N	324.425	1.200	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(C(=O)OC)c(C)cc1C	788315571	LXXYVSXRKDQBOJ-UHFFFAOYSA-N	323.349	1.279	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(OC)cc1OCC(C)C	789743815	HOVFIXWLPCDZBL-UHFFFAOYSA-N	309.366	1.694	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccc(F)cc1[N+](=O)[O-]	791264475	WQAASQGAISPEAZ-UHFFFAOYSA-N	316.252	1.534	50	20	DDGD	
COc1ccc(CNS(=O)(=O)CCCCCl)c(O)c1	795357382	DSBVHAZBQFWXCE-UHFFFAOYSA-N	307.799	1.839	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2c(F)cccc2Cl)C(=O)O1	896347004	NSOGNMWIPFOPJJ-HZGVNTEJSA-N	301.705	1.809	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)NCCc1cccs1	795586852	FPZHKXOBGMEZQD-UHFFFAOYSA-N	306.391	1.825	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNC(=O)NCC(F)(F)F	798314425	LFRQEWIQUQEKAO-ZCFIWIBFSA-N	321.303	1.413	50	20	DDGD	
C=CCNC(=S)NNC(=O)C1=NO[C@@H](c2ccccc2)C1	798304866	MZNVPKDAFRXXFV-GFCCVEGCSA-N	304.375	1.185	50	20	DDGD	
C[C@@H]1COCCC1=NNC(=O)c1nnc(-c2ccccc2)o1	794496247	FIXSRSMFOOFTIK-SNVBAGLBSA-N	300.318	1.879	50	20	DDGD	
C[C@@H]1CC[C@@H](CNC(=O)NNC(=O)c2cccc(C#N)c2)C1	792897653	DKKOHQSQBTYBSF-DGCLKSJQSA-N	300.362	1.938	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)c1cccc(Cl)c1)c1cnn(C)c1	798351138	QTBDAEMLJKCMQU-GFCCVEGCSA-N	322.752	1.222	50	20	DDGD	
COc1cccc(OCC(=O)NNc2nncc(N)c2Cl)c1	1319241191	XEHWQBPOHOZZRW-UHFFFAOYSA-N	323.740	1.243	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2ccc([N+](=O)[O-])o2)CC1	1317716925	LBBPLZNDXZTMDO-UHFFFAOYSA-N	308.338	1.760	50	20	DDGD	
CCOC(=O)c1cc(NC(=O)CCl)cc(S(C)(=O)=O)c1	1323268495	BTHNLSWGNDIHSM-UHFFFAOYSA-N	319.766	1.444	50	20	DDGD	
CN(CC(=O)NNC(=O)OCC(F)(F)F)Cc1ccccc1	1329415783	GGFFZMRDWBRVAR-UHFFFAOYSA-N	319.283	1.438	50	20	DDGD	
COc1cc(F)cc(NC(=O)NNC(=O)c2cccn2C)c1	1325359715	JDNLQIHSCGZZDS-UHFFFAOYSA-N	306.297	1.639	50	20	DDGD	
C[C@]1(CNC(=O)c2cnn3ccncc23)C[C@@H]1Br	1329654792	RPOROLIRVNJNAO-CMPLNLGQSA-N	309.167	1.633	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)NC2CCCC2)C[C@H]1Br	1328589550	CBJQKIYHEWMCIY-BXKDBHETSA-N	303.200	1.335	50	20	DDGD	
CC(F)(F)C1(C(=O)NNC(=O)COc2ccccc2F)CC1	1328874775	VOYBPIJTWZLDHU-UHFFFAOYSA-N	316.279	1.787	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=S)NCC1CCC1	1251531018	RMEHAORBXHQELP-UHFFFAOYSA-N	317.418	1.552	50	20	DDGD	
Cc1nc(N(C)C)sc1C(=O)NNC(=S)NC(C)C	1336745412	OKFCCCOUDHPGMA-UHFFFAOYSA-N	301.441	1.035	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@H]1CCCCN1Cc1cccc(F)c1	1347684473	FDWHYTPSKMFUAF-CJNGLKHVSA-N	323.412	1.524	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)C[C@H]1Br	1341970678	CETWZQMKNKWYPS-PORUNHMFSA-N	303.200	1.779	50	20	DDGD	
O=C(NNC(=O)N1CCOC2(CCCCCC2)C1)c1cn[nH]c1	1261792111	MBLFDOQSPVLGPQ-UHFFFAOYSA-N	321.381	1.189	50	20	DDGD	
C[S@@](=O)CCN1CCN(C(=O)C2CCC(Cl)CC2)CC1	1348974415	BSOBJHNWQJSDAE-NYJWLZTFSA-N	320.886	1.307	50	20	DDGD	
N#C[C@H]1CCCN(C(=O)NNC(=O)CCCc2ccccc2)C1	1353248485	HDEMFCXFMBDKLO-OAHLLOKOSA-N	314.389	1.986	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2ccc(/C=C\C(=O)O)cc2)CC1	1601059061	UQKRRVSYAWZOQR-UTCJRWHESA-N	318.354	1.629	50	20	DDGD	
CC(C)(NS(=O)(=O)CCCCCl)c1nocc1C(=O)O	1603685237	FRCDQTRXOSTFGG-UHFFFAOYSA-N	324.786	1.546	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc(-c2nn[nH]n2)s1)C(F)(F)F	1603672949	ZAJBWOLMDUJYBE-SCSAIBSYSA-N	306.273	1.113	50	20	DDGD	
O=C(NCC(Cl)Cl)c1ccc(F)c(-c2nn[nH]n2)c1	1609544507	VTXFKZONQQWIJG-UHFFFAOYSA-N	304.112	1.539	50	20	DDGD	
C[C@H](NC(=O)[C@H](C)NC(=O)c1cccc(CCl)c1)C(=O)O	1607459469	BANBJPKYJPBNAC-IUCAKERBSA-N	312.753	1.133	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ocnc2C(F)(F)F)nc1	1602384050	CJQXGAOQGUHMAX-UHFFFAOYSA-N	316.195	1.544	50	20	DDGD	
CCC(=O)N1CSC[C@H]1C(=O)NNc1cccc(C(=O)O)c1	1604857906	XDNWUQSZSDOVQY-NSHDSACASA-N	323.374	1.139	50	20	DDGD	
Cn1c(CNC[C@@]2(C)C[C@H]2Br)ccc1C(=O)O	1608100796	ATZUCFWJMCAFGA-ZYHUDNBSSA-N	301.184	1.986	50	20	DDGD	
O=C(NNc1cccc(F)c1C(=O)O)C(=O)c1ccc(O)cc1	1608483463	ZDXHQRDQCNFGGH-UHFFFAOYSA-N	318.260	1.556	50	20	DDGD	
C[C@H](CC(=O)NNc1ccc(CC(=O)O)cc1)c1cnn(C)c1	1604068602	SCXBBPRLZVLMIE-LLVKDONJSA-N	316.361	1.684	50	20	DDGD	
Cc1nccn1CCCC(=O)NNc1ccc(F)c(C(=O)O)c1	1607990328	HZSPFOWVTNSGKQ-UHFFFAOYSA-N	320.324	1.952	50	20	DDGD	
O=C(O)COc1ccc(C(=O)NNC(=O)c2ccccc2)cc1	1610785650	JGYCNBSNEYTBBQ-UHFFFAOYSA-N	314.297	1.225	50	20	DDGD	
CSSCCNC(=O)[C@@H]1NCCc2cc(C#N)ccc21	1579385053	SFFUSJPMTHZVSK-CYBMUJFWSA-N	307.444	1.872	50	20	DDGD	
C[C@@H](NNC(=O)[C@@H]1NCCc2cc(C#N)ccc21)C(F)(F)F	1576249713	BWEDIBPKAHRAIZ-PRHODGIISA-N	312.295	1.317	50	20	DDGD	
CO[C@@H]1CN[C@@](C)(C(=O)NNc2ccc(C(F)(F)F)cn2)C1	1573961430	SJCQYASGTYSZED-JOYOIKCWSA-N	318.299	1.311	50	20	DDGD	
NC[C@@H](O)CC(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	1580231620	AMGMLMGZXBINPR-ZETCQYMHSA-N	311.691	1.512	50	20	DDGD	
NCCc1ccccc1C(=O)NNC(=O)c1ccccc1F	1580316404	NWVNJEHEZFKVMA-UHFFFAOYSA-N	301.321	1.402	50	20	DDGD	
NCc1ncc(C(=O)NNc2ncccc2C(F)(F)F)s1	1580355055	QUTQKKUTEFJUEK-UHFFFAOYSA-N	317.296	1.773	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)[C@@H]1CNc2ccccc21	1580739331	DDTLRIZYUZPURU-GFCCVEGCSA-N	322.328	1.784	50	20	DDGD	
C=C(CBr)CN(CCC(=O)O)C[C@H]1CCCO1	1588606204	SEWZPIMQGGMAAK-LLVKDONJSA-N	306.200	1.893	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@H]2CNCCC23CCC3)c1	1580060194	TZGTXPOUZFDRDB-LLVKDONJSA-N	319.796	1.830	50	20	DDGD	
Cc1ccoc1C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1843466824	QOVCJCHPMRZCEX-NSHDSACASA-N	314.744	1.939	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ncc[nH]1	1847865221	LQSDTOKXFICUOU-WOPDTQHZSA-N	324.812	1.633	50	20	DDGD	
CC(C)OCC(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1841127718	NTECEGWFFLTXBJ-NSHDSACASA-N	306.765	1.149	50	20	DDGD	
CC(=O)N1CCC(C(=O)NNc2cccc(F)c2C(=O)O)CC1	1589061123	OJQONRZYNLQPLA-UHFFFAOYSA-N	323.324	1.226	50	20	DDGD	
N#CCc1cccc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)c1	1592679894	GBJGJSLWZTWOEM-UHFFFAOYSA-N	320.316	1.085	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@@H]1F	1847980545	QFQIABYWTFRBBA-GCHJQGSQSA-N	302.777	1.564	50	20	DDGD	
CSSCCN1C(=O)[C@H]2CC[C@H](C(=O)O)CN2C1=O	1599804388	LTSBREMPEPGSGX-JGVFFNPUSA-N	304.393	1.125	50	20	DDGD	
O=C(Cc1ccc(-c2nn[nH]n2)cc1)NNc1ccc(F)cn1	1592910875	AIZRJVYZWNWVGW-UHFFFAOYSA-N	313.296	1.087	50	20	DDGD	
COc1nn(C)cc1NC(=O)NNc1ccc(CC(=O)O)cc1	1599739943	TVTXVTAJBBHGBK-UHFFFAOYSA-N	319.321	1.204	50	20	DDGD	
CCc1cc(CNC(=O)NNc2ccc(C(=O)O)c(F)c2)n[nH]1	1597478653	QPABVPNGRYCKRI-UHFFFAOYSA-N	321.312	1.636	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)C(=O)O)C[C@@H]1C(F)(F)F	1596568265	JJMHEYCXTDWYMK-SFYZADRCSA-N	324.255	1.085	50	20	DDGD	
C[C@@H]1CNC[C@H]1CNC(=O)NNc1ccc(C(=O)O)cc1F	1599872693	CIDOZODRAICHEW-SCZZXKLOSA-N	310.329	1.006	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl)[C@H]1C[C@H]1F	1796809135	VPGWELWMPHDWJK-QKAQJGQXSA-N	306.740	1.517	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)CC(C)C	16100092	LENGZEQVLGFEBZ-UHFFFAOYSA-N	315.351	1.259	50	20	DDGD	
Cc1cc(O)cc(=O)n1CC(=O)NNc1ccncc1Cl	150759614	BAHGQIITSIIAJX-UHFFFAOYSA-N	308.725	1.054	50	20	DDGD	
CC1(CC(=O)NNC(=O)C(=O)Nc2ccccn2)CCCCC1	160746989	YBHTXWCTKOSGON-UHFFFAOYSA-N	318.377	1.528	50	20	DDGD	
O=C(/C=C/c1cccc(O)c1)NNC(=O)Cc1ccccc1F	153156923	KLCZHQDQTKDTHM-CMDGGOBGSA-N	314.316	1.935	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ccn(-c2ccccc2)n1	153160327	UCMXAEPKHYLILE-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
CNc1snc(C)c1C(=O)NNc1ncccc1[N+](=O)[O-]	153497580	IROMFTOPKWPNBS-UHFFFAOYSA-N	308.323	1.553	50	20	DDGD	
N#Cc1ccc(NNC(=O)CCc2nc3cccnc3[nH]2)cc1	155509237	ALKRWYNSAZDQFY-UHFFFAOYSA-N	306.329	1.905	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cccn2C)cnn1CC(C)C	157548803	KZXNOFSGHRSYRL-UHFFFAOYSA-N	303.366	1.261	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1cccc(CC(F)(F)F)c1	156134420	YDYVCMMFZJWNAV-UHFFFAOYSA-N	305.256	1.327	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc(F)cc1)C[C@H](C)C#N	155247073	AXTXJKWWLGYKHX-LLVKDONJSA-N	306.341	1.068	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2n[nH]c(=O)c3ccccc23)cc1	155328512	NUESIKCMXRREQH-UHFFFAOYSA-N	305.297	1.552	50	20	DDGD	
CN(C)C(=O)C1(CNS(=O)(=O)CCCCCl)CCCC1	154206565	NBAIKJAIDUDQJI-UHFFFAOYSA-N	324.874	1.573	50	20	DDGD	
CN(C)CC1CN(S(=O)(=O)c2ccc(CCCl)cc2)C1	382775570	VLKNAVACZSPOHY-UHFFFAOYSA-N	316.854	1.650	50	20	DDGD	
C[C@H](O)CN(Cc1ccccc1)S(=O)(=O)CBr	782453000	DWZIIFGEHHHARG-JTQLQIEISA-N	322.224	1.552	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)COC1CCCCC1	55355185	QWCJOOIABKZDIO-UHFFFAOYSA-N	320.389	1.734	50	20	DDGD	
C[C@H]1CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C	177878739	TVAKPWZSNXDQHZ-WDEREUQCSA-N	320.349	1.086	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCc2c(cccc2NC(C)=O)C1	178958936	AZHQOHKUOKFGOC-SDNWHVSQSA-N	313.357	1.974	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCC(F)(F)F	54091243	KWBOLHVKHFAADX-SSDOTTSWSA-N	323.246	1.486	50	20	DDGD	
CC(C)C(=O)NNC(=O)CCc1nnc(-c2ccccc2)o1	20915510	PZAFLAWXKJSKMO-UHFFFAOYSA-N	302.334	1.473	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(OCC(=O)OC)cc1	55006861	DGSUUEGOJBPGPL-PKNBQFBNSA-N	304.302	1.621	50	20	DDGD	
Cc1ccc(O)c(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1	26963229	JGYBDJUPVMDMDK-UHFFFAOYSA-N	314.297	1.504	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cnc(-c2ccco2)s1	171522865	GKWSRUZKIHWBHV-UHFFFAOYSA-N	316.342	1.816	50	20	DDGD	
COC(C)(C)C[C@H](C)NC(=O)NNC(=O)Cc1ccncc1	177549397	CERBOAFAMVIIDI-NSHDSACASA-N	308.382	1.158	50	20	DDGD	
COc1cccc(OC)c1CC(=O)NNc1cc(C)ncn1	176884703	ZWXQWCOVUZPQKB-UHFFFAOYSA-N	302.334	1.488	50	20	DDGD	
CCOc1ccc(C(=O)NCC(=O)NNc2ccccc2)cc1	66609870	GNKXCPSXBBJMMR-UHFFFAOYSA-N	313.357	1.958	50	20	DDGD	
Cc1cc(NNC(=O)CCCNC(=O)c2ccccc2)ncn1	172276489	ZCUSGLMVFSOTEA-UHFFFAOYSA-N	313.361	1.438	50	20	DDGD	
C[C@H]1C[C@@H](CC(=O)NNC(=O)C(=O)NC2CC2)CC(C)(C)C1	66601969	KETKTCZPDJFYPO-QWRGUYRKSA-N	309.410	1.265	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc(Br)cc1	60389465	OSZCTJQBNANGRZ-UHFFFAOYSA-N	322.162	1.862	50	20	DDGD	
CC[C@H](Oc1ccccc1Cl)C(=O)NNC(=O)CN(C)C	178193893	NHBLVQZKCXDBRS-NSHDSACASA-N	313.785	1.206	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNc1ccc(C(F)(F)F)nn1	124369394	KFURXIZNRBKQPQ-VIFPVBQESA-N	317.315	1.813	50	20	DDGD	
CCOC(=O)C[C@H](C)CNC(=O)NNc1cc(Cl)ccn1	181639292	LQCVSHWKIUHDOR-VIFPVBQESA-N	314.773	1.950	50	20	DDGD	
O=C(Cc1ccc(OC(F)F)cc1)NNc1ncc(F)cn1	123329609	HOPRTZGZVYQMJI-UHFFFAOYSA-N	312.251	1.903	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@@H]1CCCN(C)C1	73477616	MPBRYKIMTMJEBU-ZDUSSCGKSA-N	312.845	1.810	50	20	DDGD	
CCc1cc(NC(=O)NNC(=O)Cc2ccccc2F)n(C)n1	185515438	NOZZXGUPUMWDQA-UHFFFAOYSA-N	319.340	1.517	50	20	DDGD	
COCCC1(CNC(=O)NNc2cccc(OC)n2)CCC1	181453930	JZBUHWSCCCSASX-UHFFFAOYSA-N	308.382	1.923	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H](O)c1ccccc1	72825327	GQCVROCBIBGDAG-OAHLLOKOSA-N	324.340	1.137	50	20	DDGD	
N#Cc1cccc(NNC(=O)Nc2ccc(F)c(C(N)=O)c2)c1	123435384	FITXLQAQFWTHDY-UHFFFAOYSA-N	313.292	1.945	50	20	DDGD	
COc1cccc(-c2cc(C(=O)NNc3cnccn3)[nH]n2)c1	126064171	KHEHGRSDHZEZFK-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
C[C@H](CBr)CN1CCN(C(=O)[C@@H]2CCCO2)CC1	133596548	FTKAGIBMHHCTPG-NEPJUHHUSA-N	319.243	1.341	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)Cc2ccncc2)c1C	132159270	JLFDAWBWWCLXQR-UHFFFAOYSA-N	315.377	1.390	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1ccccc1-n1cccn1	183999324	WTFIXJMBCDOUEV-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@@H]1Cc2ccccc2O1	132745332	ZCEYBXHAWHSZCZ-HNNXBMFYSA-N	314.316	1.519	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNC(=O)NCC1CCC1	47053631	UVZMQLIOJYQZOX-UHFFFAOYSA-N	302.334	1.068	50	20	DDGD	
O=C(NCCCn1ccnc1)NNc1cccc([N+](=O)[O-])c1	42895666	KAXMCBPBTRSMBE-UHFFFAOYSA-N	304.310	1.508	50	20	DDGD	
COc1ccc(Cl)cc1CNC(=O)NNC(=O)c1ccc[nH]1	193348297	OHHZRGBBPPUFDW-UHFFFAOYSA-N	322.752	1.821	50	20	DDGD	
CCN1C[C@H](C(=O)NNc2ccc(C(F)(F)F)cn2)CC1=O	132155266	WMWZGNFKSCNUTI-MRVPVSSYSA-N	316.283	1.412	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2ccnn2C(C)C)n1	133612393	LUOWMVCUVVFENC-UHFFFAOYSA-N	317.397	1.857	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C[C@@H]1CCCO1	46764844	SWVRCBQGPZDKQD-MNOVXSKESA-N	310.325	1.310	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)C(=O)Nc1ccn(C)n1	130126913	YKGROUJIJMHWMO-UHFFFAOYSA-N	324.344	1.359	50	20	DDGD	
CC(C)(Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc[nH]1	96951159	LMHPDGZEKGJYPV-UHFFFAOYSA-N	305.309	1.772	50	20	DDGD	
CC(C)NC(=O)Nc1cccc(C(=O)NNC(=O)NC2CC2)c1	143246151	SHIOCVCRBMWHLX-UHFFFAOYSA-N	319.365	1.323	50	20	DDGD	
COc1ccc(NCC(=O)NN=Cc2ccc(O)cc2O)cc1	254700242	KYAVOCZVZJHOQW-UHFFFAOYSA-N	315.329	1.669	50	20	DDGD	
CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)N1CCOCC1	267290190	ZGUDZMYBXSTRFS-AWEZNQCLSA-N	321.377	1.225	50	20	DDGD	
Cc1cc(NNC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])nc(C)n1	269496695	AHPKVCGNMOGRGM-UHFFFAOYSA-N	319.325	1.605	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C	268232042	SKNIIGUCOGMSKD-QMTHXVAHSA-N	324.856	1.951	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C1CCSCC1	264885091	XJWVBHZFECHNTD-UHFFFAOYSA-N	308.403	1.528	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12	276705797	JFICLKWAYCVYNL-QMTHXVAHSA-N	306.391	1.287	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C1CC(=O)C1	278627266	XKWIDNKMXASQFY-MRVPVSSYSA-N	310.737	1.234	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccnc(Br)c1	272671435	KSWCFAVXAGJQOH-UHFFFAOYSA-N	301.144	1.150	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2c(F)cccc2F)[C@@H]1OC	275190541	FMRPOHUXPGOKAV-LOWVWBTDSA-N	315.320	1.783	50	20	DDGD	
CC[C@H](C)NC(=O)CCNC(=O)NNc1cccc(OC)n1	272478687	YJUIZHCGCLFSEH-JTQLQIEISA-N	309.370	1.021	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNc1ccc(C(F)(F)F)nn1	270034738	IMVORPNIWCGGRM-UHFFFAOYSA-N	321.259	1.073	50	20	DDGD	
C=C[C@](C)(CC)C(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C	275947469	FXINHAKNSBNBBV-MEBBXXQBSA-N	313.398	1.649	50	20	DDGD	
COc1ccc(NNC(=O)COc2ccc(OC)c(C)c2)nc1	275424376	AIPRYCULLDKPDH-UHFFFAOYSA-N	317.345	1.929	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1)C1CCC1	279319004	BQDHEGMOGVNBLZ-LBPRGKRZSA-N	323.299	1.405	50	20	DDGD	
CSc1nsc(NC(=O)NNC(=O)CC2CCCC2)n1	273421279	JIUIWPDHKIPORI-UHFFFAOYSA-N	315.424	1.993	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2C[C@H]2c2ccco2)nc1	372266725	MEYLCPSVXFXSDX-GHMZBOCLSA-N	301.302	1.708	50	20	DDGD	
Cc1c(OS(=O)(=O)CBr)cccc1[N+](=O)[O-]	272798302	KOJJQVICACDYKN-UHFFFAOYSA-N	310.125	1.964	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNC(=O)CNc1ccccc1OC	287075284	LJVZREDSNNPNGI-OAHLLOKOSA-N	304.350	1.194	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)N[C@@H]2CCC2(C)C)c1	287321327	LNMMZEWGMNWTJP-CYBMUJFWSA-N	304.394	1.885	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)N[C@H]1CCC1(C)C	286461098	ICDUEEYVLCNWEG-ZDUSSCGKSA-N	321.377	1.593	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)[C@H]1COc2ccccc21	376287023	FOHPKXBJDYTNMD-LBPRGKRZSA-N	322.328	1.282	50	20	DDGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NNC(=O)Cc1ccccc1F	286480972	LIKYBKRYYWZMOS-BONVTDFDSA-N	323.368	1.066	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NNC(=O)c1ccccc1O	281660052	XUBSBMLEQNJVOF-FZMZJTMJSA-N	319.361	1.317	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NCCSSC)cn1	285364313	UPYJTVHNSQNBTG-UHFFFAOYSA-N	301.393	1.156	50	20	DDGD	
CSCC(C)(C)C(=O)NNc1nc(-c2cccnc2)no1	282919959	XWAUUVIAMZSVGG-UHFFFAOYSA-N	307.379	1.964	50	20	DDGD	
COc1ccnc(NNC(=O)C(C)(C)c2c(C)noc2C)n1	280811866	NDBAZYJQIYZSJA-UHFFFAOYSA-N	305.338	1.511	50	20	DDGD	
COCCN(C)NC(=O)c1cncc(-c2ccc(OC)cc2)c1	294585758	YWRNYYWFKJCOAT-UHFFFAOYSA-N	315.373	1.980	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)C[C@H](OC)c1ccccc1	295372038	SKVZBUCEQXCGIU-YPMHNXCESA-N	314.407	1.371	50	20	DDGD	
CC(C)(Cc1ccccc1)C(=O)NNC(=O)[C@H]1CCCCO1	295714517	KEITUOSDZOPPHL-CQSZACIVSA-N	304.390	1.972	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)Nc1ccc2c(c1)OCO2	802096549	UWUMFLFZVLTOJK-OUAUKWLOSA-N	319.317	1.136	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CC[C@@H](O)C23CCCC3)n1	292887422	ZICIVQXOOCGGFU-CYBMUJFWSA-N	318.377	1.124	50	20	DDGD	
CC[C@H]1CN([C@@H](CC)C(=O)NNc2cccc(F)n2)CCO1	804770119	SQVQDTBFYRQRTF-RYUDHWBXSA-N	310.373	1.553	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H]1CCCN(c2ccccc2)C1=O	293319257	AAILOBYNCOMKTO-CYBMUJFWSA-N	318.377	1.122	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(OC)c(OC)c1C	807975190	JNEQXXCAEAHCFR-GFCCVEGCSA-N	324.377	1.514	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1CCCN(c2ccccc2)C1=O	293319263	AAILOBYNCOMKTO-ZDUSSCGKSA-N	318.377	1.122	50	20	DDGD	
COCC[C@@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)C(=O)OC	292106426	CODPFCHEOCITMX-FWLQQBITSA-N	320.320	1.427	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN[C@H]1CCc2ccccc2OC1	801576303	XYJYJFHDOWKMLQ-ZDUSSCGKSA-N	319.405	1.163	50	20	DDGD	
O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)CC1CC1	295663489	STLQBSHNQMKFNR-UHFFFAOYSA-N	319.317	1.505	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2cnn(C)n2)cc1C	291061325	AFYRJWXPLDJTMO-UHFFFAOYSA-N	303.322	1.057	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)c2cccc(Br)c2)co1	801626469	VZYIWZDBZKMVNV-UHFFFAOYSA-N	324.134	1.820	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)CSc1ccccc1O	802942212	QKEQLYPDQRPMHY-UHFFFAOYSA-N	319.386	1.836	50	20	DDGD	
CO[C@@H](C)c1nsc(NC(=O)NNC(=O)c2ccccc2)n1	809925296	HOJCFCLFJPCTQG-QMMMGPOBSA-N	321.362	1.712	50	20	DDGD	
COc1ccc(C#N)cc1NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	292824165	DDEXUKAUGAAMBF-ZANVPECISA-N	318.333	1.287	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H](C)CC(=O)OC)cc1C	291279822	RCUYJXQUFXIAEW-NSHDSACASA-N	322.361	1.814	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)[C@@H]1C[C@H](CC(=O)O)C1(C)C	814761030	MLNXTNCSIZNFHM-NEPJUHHUSA-N	323.393	1.238	50	20	DDGD	
COc1cc(C(=O)NNc2ncncc2F)cc(OC)c1OC	817070039	CCGLATRPNRRXSK-UHFFFAOYSA-N	322.296	1.398	50	20	DDGD	
CC(Cn1cccn1)=NNC(=O)[C@@H](C)CN1CCC(C)CC1	814763584	CXDBUNZYYHSHEL-AWEZNQCLSA-N	305.426	1.743	50	20	DDGD	
CCn1nncc1C(=O)NNc1ncc(Cl)cc1Cl	816173008	NILAPRPHKUTASI-UHFFFAOYSA-N	301.137	1.757	50	20	DDGD	
Cc1nn2c(C=NNC(=O)N=c3cc[nH]cc3)c(C)nc2s1	815000814	PIQLPDFBARMJSZ-UHFFFAOYSA-N	315.362	1.380	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1CC[C@@H](C(=O)O)[C@@H](C)C1	814794358	DWJIHDZHWDUWGB-IMTBSYHQSA-N	310.379	1.640	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H](O)c1ccc(Cl)cc1F	813411887	FUQVQEVUBHPPER-JTQLQIEISA-N	302.733	1.706	50	20	DDGD	
O=C(NNC(=O)c1ccnnc1)Nc1cccc2c1CCCC2	817297430	UKOWNWIAHZHXBJ-UHFFFAOYSA-N	311.345	1.822	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCC2(CC1)OCCCO2	815071514	XTGUYPFXASHAMC-UHFFFAOYSA-N	311.831	1.564	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1C(=O)NNc1ccc(-n2ccnc2)nn1	819531231	VDAGQZYMJUGJDA-NEPJUHHUSA-N	300.366	1.932	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NN=C2CC(OC(C)C)C2)c1	814883192	DIMUZDJMTFJWLY-UHFFFAOYSA-N	304.350	1.713	50	20	DDGD	
N#Cc1ccc(NNC(=O)CCn2cnccc2=O)cc1Cl	816084247	WIQOCQLVFAJROI-UHFFFAOYSA-N	317.736	1.302	50	20	DDGD	
Cc1ccc2c(c1)[C@H](NC(=O)NNc1ncncc1F)CO2	814313178	OYYDCVUDCKMTCH-LLVKDONJSA-N	303.297	1.684	50	20	DDGD	
CN1CCC[C@@]2(CCN(S(=O)(=O)CBr)C2)C1	815065437	CWWQEXYXHFCGNG-SNVBAGLBSA-N	311.245	1.086	50	20	DDGD	
COc1cccc2c1OCC[C@@H]2NC(=O)NNC(=O)C(C)(C)C	725874704	LVBARZXZQNQHSO-NSHDSACASA-N	321.377	1.895	50	20	DDGD	
C[C@@H](CC(=O)O)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	827303957	MPIYLLISLZWLOM-LURJTMIESA-N	319.144	1.865	50	20	DDGD	
CCc1c(C(=O)NN(C)[C@H](C)CO)cnn1-c1ccc(F)cc1	823977057	NFWFGFGXIAHOLW-LLVKDONJSA-N	320.368	1.531	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC(C)(C)OC(C)(C)C1	827275032	RNJGHACHBDVPEZ-QWRGUYRKSA-N	313.398	1.042	50	20	DDGD	
CN1CCCC[C@H](C(=O)NC[C@@]2(C)C[C@H]2Br)C1=O	824804607	KTCDCPSHMOFHFM-GIPNMCIBSA-N	317.227	1.535	50	20	DDGD	
C[C@H](CNC(=O)/C(C#N)=C/c1cnn(C)c1)CC1(C)OCCO1	491009092	JKGCAVIRFPPDQE-VWBIBIBXSA-N	318.377	1.232	50	20	DDGD	
Cc1ncsc1CNC(=O)NNC(=O)Cc1ccc(F)cc1	729231939	DWJBUWMVMKAOPL-UHFFFAOYSA-N	322.365	1.664	50	20	DDGD	
COc1cccn2ncc(C(=O)NNC(=O)CC(F)(F)F)c12	823369252	VPSITYCAGCLAQB-UHFFFAOYSA-N	316.239	1.056	50	20	DDGD	
C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NNC(=O)C(C)(C)C	493056755	YXZLPYPLJMNAGK-JTQLQIEISA-N	315.414	1.683	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2C=CCC2)cc1C	821093665	ZMVDGHJOOQGZAY-CYBMUJFWSA-N	303.362	1.731	50	20	DDGD	
CCN(CCO)NC(=O)[C@H]1CCN(c2ccccc2Cl)C1	823885100	WFIFZHRSFSZSJW-LBPRGKRZSA-N	311.813	1.512	50	20	DDGD	
CC(=NNC(=O)CCNC(=O)OC(C)(C)C)c1ccn(C)n1	496312080	XXOSSGLJBPHEEB-UHFFFAOYSA-N	309.370	1.175	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@H](C)Oc2ccccn2)o1	825505615	NWZBZZSTOJHLTC-JTQLQIEISA-N	315.333	1.975	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1	823865138	KHGMAHFMQOCOHC-UHFFFAOYSA-N	301.346	1.205	50	20	DDGD	
CCN(CC)C(=O)CCCC(=O)NNC(=O)OC(C)(C)C	491146443	QYJROKIICQKWSL-UHFFFAOYSA-N	301.387	1.581	50	20	DDGD	
C=CCc1ccc(OCC(=O)NN(CC)CCO)c(OC)c1	823838581	SIMIPIBYGHYRJR-UHFFFAOYSA-N	308.378	1.148	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cccc(Cl)n1)C(F)(F)F	823851175	UYZONIALVMMHED-YFKPBYRVSA-N	310.663	1.630	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C)SC	826108431	JLKUHXNSDZJOBQ-QWRGUYRKSA-N	317.455	1.664	50	20	DDGD	
CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)CSc1ccccc1O	901257723	HKLIVXBVKAYEQO-NXEZZACHSA-N	312.391	1.039	50	20	DDGD	
COC(=O)N(C)N=Cc1c(C)nn2c(=O)c3ccccc3[nH]c12	495677003	KMDWCBBDKIRHMI-UHFFFAOYSA-N	313.317	1.516	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1c(F)cc(C)cc1F	823811022	ZMSZRJQWZXWRLP-UHFFFAOYSA-N	301.293	1.254	50	20	DDGD	
C[C@]1(CNC(=O)/C(C#N)=C\c2ccc(F)cc2)CCC(=O)N1	491176174	NYOIGSULOGNXLA-IYCSXQJISA-N	301.321	1.518	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCC(=O)OC2CCCCC2)cn1	491108061	WYAMCNYYTVKEBU-NTUHNPAUSA-N	316.361	1.319	50	20	DDGD	
O=C(N[C@H]1CCCCC12CCCC2)c1cccc(B(O)O)c1	584992076	LJUVRWUWMLWIGA-HNNXBMFYSA-N	301.195	1.599	50	20	DDGD	
CN(C[C@](C)(O)c1ccccc1)C(=O)/C(C#N)=C\c1cnn(C)c1	491053542	YSJNPVYJNOATCU-YHTSIIMFSA-N	324.384	1.693	50	20	DDGD	
CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccncc1	491045052	DPAKWQXLRPWOTA-UKTHLTGXSA-N	306.329	1.512	50	20	DDGD	
COC(=O)Nc1cccc(NC(=O)NNc2ncncc2F)c1	496891289	KQAPIVLIGFPSFS-UHFFFAOYSA-N	320.284	1.943	50	20	DDGD	
C[C@@]1(C(=O)NCC(=O)Nc2cccnc2)C[C@H]1Br	906498895	CFPDIIINUPVISS-BXKDBHETSA-N	312.167	1.310	50	20	DDGD	
OB(O)c1ccc(CNCCCCc2nccs2)c(F)c1	585021683	NFZFTQRSZCIECY-UHFFFAOYSA-N	308.187	1.075	50	20	DDGD	
COC(=O)[C@H](CNC(=O)/C(C#N)=C/c1cnn(C)c1)CC(C)C	491176469	PUMKKVULHAKBAC-BLXFFLACSA-N	318.377	1.279	50	20	DDGD	
O=C(CCc1ccccc1O)NN=C1CCCS(=O)(=O)C1	731927877	WLNONRRWGCUJSM-UHFFFAOYSA-N	310.375	1.006	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)[C@@H](C)N1C(=O)CCC1=O	836933873	WWLBSMOFRBWLIV-SECBINFHSA-N	309.753	1.629	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(CNC(=O)C2CCCC2)cc1	495326350	JWAQTRWKWSHVCS-UHFFFAOYSA-N	319.361	1.494	50	20	DDGD	
CN(CC(=O)NNC(=O)C1CC1)Cc1ccc2ccccc2c1	733193604	ZKYWODMBZITTND-UHFFFAOYSA-N	311.385	1.829	50	20	DDGD	
Cc1ccc(N2CCCC2)c(C(=O)N2CC[C@H](B(O)O)C2)c1	585069712	PJHNFAMRNBICRF-ZDUSSCGKSA-N	302.183	1.284	50	20	DDGD	
C=C[C@@](C)(O)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	830806385	LNYODEONZALTQV-GFCCVEGCSA-N	320.317	1.063	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)[C@H]1COc2ccccc2O1	733808758	ICGXRHRDORLCAF-MRXNPFEDSA-N	322.324	1.913	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cccc2c1OCCO2	831342220	ZCDNBXGPBPRILM-VHSXEESVSA-N	321.333	1.036	50	20	DDGD	
Cc1ccc([C@@H]2CCCN(C(=O)c3cccc(B(O)O)c3)C2)cc1	584941219	GWISMRNQGPBLGY-QGZVFWFLSA-N	323.201	1.695	50	20	DDGD	
CO[C@@H](c1ccc(F)cc1)[C@H](C)NCc1ccccc1B(O)O	585035920	ZUYSECHTJFCEQP-YVEFUNNKSA-N	317.169	1.371	50	20	DDGD	
O=C(C[C@@H](n1cccn1)C(F)(F)F)NNc1ncc(F)cn1	831349102	BGMXJRRAPWMGRY-MRVPVSSYSA-N	318.234	1.449	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNc1cccc(Br)n1	837212899	VYUIAAZOXZTMOF-SFYZADRCSA-N	300.156	1.712	50	20	DDGD	
OB(O)c1cccc(CNc2cc(F)cc(N3CCCC3)c2)c1	585013416	UJUUZYQOHNJITH-UHFFFAOYSA-N	314.169	1.718	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](CC(C)C)C(N)=O)c1	839721937	RIWKNBUPBSXIGV-GFCCVEGCSA-N	307.350	1.064	50	20	DDGD	
CCc1cnccc1[C@@H](C)NCc1ccc(B(O)O)cc1F	585033257	AFHVFZQZJPASIN-LLVKDONJSA-N	302.158	1.314	50	20	DDGD	
CC(=O)N1C[C@H](C(=O)NCC(Cl)Cl)Oc2ccccc21	837650709	IFNQBRPXIRSOHJ-LLVKDONJSA-N	317.172	1.720	50	20	DDGD	
CCc1ncncc1C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	737284284	GMDGNDYOFWCHNL-UHFFFAOYSA-N	317.257	1.865	50	20	DDGD	
Cc1noc(C)c1C[C@@H](C)NC(=O)NNC(=O)c1ccc[nH]1	739047686	DPWZLJIMHWFKLD-MRVPVSSYSA-N	305.338	1.195	50	20	DDGD	
O=C(CCCOCCc1ccccc1)N1CC[C@@H](B(O)O)C1	585078162	VTYNYYWOIWFUHF-OAHLLOKOSA-N	305.183	1.101	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)C[C@H]1C[C@H]2CC[C@H]1O2	836710550	VQCSMSDQQQNVMM-RBSFLKMASA-N	318.373	1.308	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC2CCOCC2)c(F)c1	837739310	UCPPEGRWWAIWKV-UHFFFAOYSA-N	311.313	1.417	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCCCCCC(=O)O)o1	832911299	CHUXOFUFAAVISO-UHFFFAOYSA-N	311.338	1.567	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)c1ccc2ccccc2c1	732528516	NMBOEVFTHCIHLL-UHFFFAOYSA-N	304.371	1.990	50	20	DDGD	
CSc1ccc(C(=O)NNC(=O)COc2ccccc2O)o1	732766973	PCJSYDVNRYYNAF-UHFFFAOYSA-N	322.342	1.547	50	20	DDGD	
CC(C)Cn1ncc(C(=O)NN(C)C[C@@H](C)O)c1C(F)F	910155106	JHBDCRGGWJGXSL-SECBINFHSA-N	304.341	1.434	50	20	DDGD	
C[C@@H]1CC[C@H](CNC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)O1	838739213	JGNCLMAWFMHQEJ-BXKDBHETSA-N	322.321	1.106	50	20	DDGD	
CCCCn1ncc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1C	831578985	WVMMLRIDHLBXSX-RYUDHWBXSA-N	323.397	1.569	50	20	DDGD	
CCN(CC)CCOC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	912577529	KCALYOSDAIJZQX-DHDCSXOGSA-N	314.389	1.997	50	20	DDGD	
CC[C@@H](O)[C@@H](C)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	913824557	UUGGABNXWZQQAN-ZWNOBZJWSA-N	324.450	1.477	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)Cn1nc(C(F)F)cc1C1CC1	910181911	FNIDHMSGJYAOQG-QMMMGPOBSA-N	302.325	1.042	50	20	DDGD	
CO[C@@]1(C)CC(=NNC(=O)Cc2cc(O)nc(S)n2)C1(C)C	746564995	NJUPPTIJBYDZCR-AWEZNQCLSA-N	324.406	1.321	50	20	DDGD	
Cc1nc2c(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)cccc2o1	843659600	YDEJFWSRKCAZJE-PSASIEDQSA-N	303.318	1.322	50	20	DDGD	
C[C@H]1CCCN(c2cc(C(=O)NN(C)C[C@@H](C)O)ccn2)C1	910147024	INPSQXKAGSFUAN-QWHCGFSZSA-N	306.410	1.275	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@H]2CCc3ncsc3C2)cn1	910846667	WJEVQMVYOHQREU-MCWZUMHDSA-N	313.386	1.457	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cnc2ccc(Cl)cn12	842559039	YYIZPSJADUIPMA-JOYOIKCWSA-N	306.753	1.863	50	20	DDGD	
Cc1ccc([C@H](C)[C@H](O)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	843978069	ITPDGYOVVUXOPH-JURCDPSOSA-N	320.389	1.032	50	20	DDGD	
NC[C@@H]1CC[C@@H](NC(=O)NNC(=O)Cc2ccc(Cl)cc2)C1	842009699	GHHLDTCXQLNZTK-DGCLKSJQSA-N	324.812	1.340	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)Cc1cnn2ccccc12	843869633	XRZICTIGRNOFGL-UHFFFAOYSA-N	310.361	1.934	50	20	DDGD	
CO[C@@H](C=NNC(=O)COc1cc(C)cc(C)c1)[C@@H]1CCOC1	841606777	LGBPPZOHAKOCES-ZBFHGGJFSA-N	320.389	1.836	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCO[C@H]1c1ccncc1)c1cccnc1	845073213	PFQKWYCXAFMSQU-KGLIPLIRSA-N	312.329	1.015	50	20	DDGD	
CCc1c(C(=O)NN(C)C[C@H](C)O)cnn1Cc1ccccc1	910170542	LUEZWYFSPYMYIB-ZDUSSCGKSA-N	316.405	1.451	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1cc(C)ccc1O	916364070	CAALQCHPGNNYAD-CYBMUJFWSA-N	319.405	1.509	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H](C)Cc2cnc[nH]2)cc1	847290289	WMODJWVCYUHJOE-NSHDSACASA-N	300.362	1.612	50	20	DDGD	
O=C(Cc1nc2ncccn2n1)NNc1ccc(F)c(F)c1F	748221182	WCXJFVAZMAFURD-UHFFFAOYSA-N	322.250	1.227	50	20	DDGD	
CCc1c(C(=O)NNC(=O)Cc2ccc(F)cc2)cnn1C	915618390	LBYPFBGCRXREPE-UHFFFAOYSA-N	304.325	1.125	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843645688	GLBAQPLUSJIBAB-ONGXEEELSA-N	307.306	1.089	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)c1	843871312	YXHPNKRSYRXPDM-MGPQQGTHSA-N	318.377	1.791	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NN(C)C[C@@H](C)O)cc1	910172301	ARHFAQLHGZZXIV-ZMTLZGASSA-N	303.362	1.336	50	20	DDGD	
CC(C)(O)[C@H](O)C(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	912583442	WQUSLCGRLFIQEF-VXGBXAGGSA-N	317.502	1.741	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cnn(C(C)(C)C)c1	915952719	JZSDQHWSMQFHHP-ZDUSSCGKSA-N	321.425	1.057	50	20	DDGD	
Cc1cc(C)c(C)c(S(=O)(=O)NNC(=O)c2cc[nH]n2)c1C	849310804	PTGJYONMGHJHGC-UHFFFAOYSA-N	322.390	1.267	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)[C@@H]1Cc2ccccc21	742070373	SRPDNIBEKHRDSK-CYBMUJFWSA-N	312.325	1.258	50	20	DDGD	
Cn1cc(CC(=O)NNC(=O)c2cccc3ccccc23)cn1	741576962	VBEGTYDIJJJPFK-UHFFFAOYSA-N	308.341	1.577	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)C)ccc1N1CCOCC1	843756531	ZUWBNHLWRBEDJD-UHFFFAOYSA-N	305.378	1.249	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@H]2C[C@@]23CCOC3)c1	843869731	BCTNGASPNYRFMK-CZUORRHYSA-N	318.377	1.650	50	20	DDGD	
CC[C@H](Oc1ccccc1C)C(=O)NNC(=O)NCC1CC1	749356471	BDYKWLYDTOWVAR-ZDUSSCGKSA-N	305.378	1.893	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCCCNC(C)C)c1ccccc1	841934227	SASOKQFEVAXKAT-HNNXBMFYSA-N	320.437	1.899	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)NC2CC2)c1	849203759	JCTGZBPLZTYFPR-ZWSXMNCCSA-N	314.341	1.812	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H](C)CN2CCC(C)CC2)nn1C	841615267	YEVKXFWHTFFBOE-CYBMUJFWSA-N	305.426	1.547	50	20	DDGD	
Cc1nc(CC(C)C)c(NC(=O)NNC(=O)CCCN)s1	841146198	OECAHJLFOCTLDM-UHFFFAOYSA-N	313.427	1.542	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H]1CCN(c2ncccc2F)C1	755309545	WWHWTOYTBGQPHO-NSHDSACASA-N	323.372	1.176	50	20	DDGD	
NC(=O)c1ccc(C=NNC(=O)NCCc2cccs2)cc1	920830775	NBCMBAZKVKPBAO-UHFFFAOYSA-N	316.386	1.723	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)N[C@H]1CC(=O)N(C2CC2)C1	852192671	FKYADSYQISXKCT-VIFPVBQESA-N	309.757	1.124	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCCCN1CCOCC1	754549558	LABUFQBWOOFZPM-NTCAYCPXSA-N	316.357	1.565	50	20	DDGD	
CCOCc1nc(C)c(C(=O)NNc2ncncc2F)s1	857511458	OUOJUSWYZMWLQT-UHFFFAOYSA-N	311.342	1.674	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@@H](NS(C)(=O)=O)C(C)C	855366523	BSKJWCCHHHZRCT-LBPRGKRZSA-N	317.386	1.151	50	20	DDGD	
NC(=O)c1ccc(CNC(=O)NNc2cccc([N+](=O)[O-])c2)o1	753023742	YKEABYOELTZQAP-UHFFFAOYSA-N	319.277	1.113	50	20	DDGD	
CN(C[C@H](CBr)C1CC1)C1(CO)CCOCC1	859277231	UVBXORSWLDWZPR-LBPRGKRZSA-N	306.244	1.881	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNC(=O)c1cn[nH]c1)c1ccccc1	858137129	HDWPJSVKTOTNRO-AWEZNQCLSA-N	315.377	1.794	50	20	DDGD	
O=C(CO)NNC(=O)Nc1cccc(COC2CCCCC2)c1	756247117	YGRGTQNHAMKJEG-UHFFFAOYSA-N	321.377	1.681	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@H]2CCO)C[C@@H]1Br	856952676	MBFLCELZTZZYKW-JBLDHEPKSA-N	305.216	1.716	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(CCO)Cc1ccc(OC)cc1	922674233	ZRCRGKJIZKVFFQ-OWBHPGMISA-N	304.346	1.460	50	20	DDGD	
Cc1ccnc(NNC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c1	755854488	SPHRCJHHRNKTDZ-UHFFFAOYSA-N	313.361	1.711	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NC[C@]1(C)C[C@H]1Br	857402027	COYHJXYDYXKABC-PELKAZGASA-N	305.216	1.438	50	20	DDGD	
CC[C@@H](NC(=O)NNc1nc(C)cc(OC)n1)[C@@H]1CCCO1	756102967	DYYOVNYUAMUBOZ-MNOVXSKESA-N	309.370	1.377	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNC(=O)C(C)C)cc1OC	758151714	XQILSWLCXOMFDH-UHFFFAOYSA-N	308.378	1.785	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NNC(=O)CC(C)C)C1	751314082	AMNDAJHCDCLHNQ-CHWSQXEVSA-N	311.426	1.465	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1	854921158	YVISSFSHQSAXSX-QMMMGPOBSA-N	301.799	1.575	50	20	DDGD	
O=C(NCCO[C@@H]1CCOC1)NNc1cccc(F)c1Cl	927523649	FMRRQJYVUYWSHX-SECBINFHSA-N	317.748	1.911	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CCn2cncn2)cc1C	851688353	XWZIHZHEOWTJIR-UHFFFAOYSA-N	318.406	1.303	50	20	DDGD	
Cc1nc([C@H](C)NC(=O)NC[C@@]2(C)C[C@@H]2Br)n[nH]1	856957944	IEDCHUVOGJIUGS-GEOGLEFRSA-N	316.203	1.647	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H](C)CN2CCCC2=O)c1	858234782	SFXWYBNWQATHEO-SNVBAGLBSA-N	324.406	1.011	50	20	DDGD	
Cc1cc(CNC(=O)NC[C@]2(C)C[C@H]2Br)n[nH]1	856835291	OSWVSRWOAXGZDB-KOLCDFICSA-N	301.188	1.691	50	20	DDGD	
Cc1cc([C@H](C)NC(=O)NNC(=O)c2cn[nH]c2)c(C)s1	858132637	ADIVNPVTCCOCQK-QMMMGPOBSA-N	307.379	1.793	50	20	DDGD	
CCCn1cc(C(=O)NC[C@]2(C)C[C@H]2Br)nn1	857395912	VSTGSYDHVIGZFY-KOLCDFICSA-N	301.188	1.591	50	20	DDGD	
Cc1c[nH]cc(C(=O)NNc2ccc(C#N)c(Cl)c2)c1=O	753306881	WHKORVJWRZBHQU-UHFFFAOYSA-N	302.721	1.965	50	20	DDGD	
CCOC(=O)C[C@H]1CCCCC1=NNC(=O)c1cnccn1	754922733	JYIDHHQQUUPULR-LLVKDONJSA-N	304.350	1.706	50	20	DDGD	
C[C@H](C(=O)NNc1nc(O)c2ccccc2n1)c1cnn(C)c1	758309182	PIVDFFXWVYGRJE-VIFPVBQESA-N	312.333	1.316	50	20	DDGD	
CCC(CC)[C@@H](O)CNC(=O)NNC(=O)c1cc(C)cs1	858706435	VYPWDOQOBGQWAQ-NSHDSACASA-N	313.423	1.798	50	20	DDGD	
CC(C)CCC(=O)NCC(=O)NC[C@@]1(C)C[C@H]1Br	857403866	VHPQRMWJGOUIDT-ZWNOBZJWSA-N	319.243	1.829	50	20	DDGD	
Cc1cccc([C@@H]2C[C@H]2C(=O)NNc2ccc(C(N)=O)nn2)c1	863895293	KTGPJSSBFSGYOQ-NWDGAFQWSA-N	311.345	1.131	50	20	DDGD	
N#C[C@H](CCc1ccccc1)C(=O)NNC(=O)c1ccccn1	763876054	SNELNDGRNMHRCD-AWEZNQCLSA-N	308.341	1.615	50	20	DDGD	
O=C(COC/C=C/c1ccccc1)NNC(=O)CC(F)(F)F	763753400	BTOPTTISYVNZCK-QPJJXVBHSA-N	316.279	1.816	50	20	DDGD	
CN(C)c1ccc2c(c1)N(C)C(=O)C2=NNC(=O)C(C)(C)C	761782724	PCOHCXNITXKYRF-UHFFFAOYSA-N	302.378	1.595	50	20	DDGD	
CC(Cc1ccncc1)=NNC(=O)CNC(=O)c1ccco1	767781301	BGDMYUSJSAAOPU-UHFFFAOYSA-N	300.318	1.139	50	20	DDGD	
COc1ccc(CC(=O)NN[C@@H](C)C(F)(F)F)cc1[N+](=O)[O-]	862311194	BSYWXTOOELNDTQ-ZETCQYMHSA-N	321.255	1.718	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2csc3nccn23)n1	765752724	HGBIKIDOULUZNT-UHFFFAOYSA-N	318.362	1.189	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)c1ccnc(F)c1	764042467	INUICKDPBGAZTP-UHFFFAOYSA-N	321.333	1.480	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H]2CCO[C@@H](C)C2)cc1	769736193	RXSYBDRJZKUNEL-FZMZJTMJSA-N	305.378	1.761	50	20	DDGD	
CC1=C(C(=O)NNCC(F)(F)C(F)(F)F)SCCO1	863098371	GGAMHSYIEPGKCD-UHFFFAOYSA-N	306.256	1.800	50	20	DDGD	
COCCN(C)NC(=O)c1ccccc1[S@@](=O)C(F)(F)F	935912903	XSXHPZKRANPHPM-OAQYLSRUSA-N	324.324	1.537	50	20	DDGD	
CNC(=O)NN=C(C)CCCCN1C(=O)c2ccccc2C1=O	769781168	WOSAAIDSUMYJJQ-UHFFFAOYSA-N	316.361	1.758	50	20	DDGD	
Cc1c(CCC(=O)NNCC(F)(F)C(F)(F)F)cnn1C	863097619	QILLGXXBTZODMK-UHFFFAOYSA-N	314.258	1.480	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2ccc(-n3cncn3)c(C)c2)n[nH]1	764793321	LJOQNBFLCCBVEJ-UHFFFAOYSA-N	309.333	1.371	50	20	DDGD	
Cn1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)c1	763741042	SOPDACCVSMEWBY-UHFFFAOYSA-N	309.329	1.490	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)c2cc(C)cs2)CCCC1	862479771	AQTGEZGZYZLAKE-UHFFFAOYSA-N	324.402	1.941	50	20	DDGD	
COc1cc(O)c(C=NNC(=O)NC2CCCC2)cc1OC	768365200	QYCYSVDPNMXLGK-UHFFFAOYSA-N	307.350	1.985	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1ccc2nncn2c1	863094425	TXFVVJMZNSPRAI-UHFFFAOYSA-N	309.198	1.161	50	20	DDGD	
CCc1cccc(NC(=O)C(=O)NNC(=O)CC(F)(F)F)c1	764115526	RIJQEMCJHSFHRB-UHFFFAOYSA-N	317.267	1.287	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=C2CCCc3ccc([N+](=O)[O-])cc32)N1	863153031	LIQAUXCRHRIMBE-ZDUSSCGKSA-N	316.317	1.030	50	20	DDGD	
CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)NNc1cccnn1	1116563013	UMAVXAQYJHIYBS-HNNXBMFYSA-N	323.397	1.861	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CCCn2ccccc2=O)c1	862475890	AXJAOUIHMICFDY-UHFFFAOYSA-N	319.386	1.460	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccc2c(c1)OCCCO2	760911289	DYRYCIBKPXAWOB-UHFFFAOYSA-N	304.281	1.534	50	20	DDGD	
COC1CC(C(=O)NNC(=S)Nc2cc(C)ccc2F)C1	874947699	QLGGZEQZWJYWEG-UHFFFAOYSA-N	311.382	1.877	50	20	DDGD	
CN(NC(=O)c1ccc(Br)c(Cl)c1F)C(N)=O	768158564	XMUPEEPKSVVMNX-UHFFFAOYSA-N	324.537	1.897	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)Nc1cccc2ccncc12	764339390	SIZLEYUWWGKMGC-UHFFFAOYSA-N	312.329	1.121	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1ccc2c(c1)OCO2	767395588	FJFQAUBVBRURKR-UHFFFAOYSA-N	300.318	1.530	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cccc([S@](C)=O)c1	764659098	DDQOPFLHCLXOIU-QFIPXVFZSA-N	321.362	1.371	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](C)CCc1ccc2c(c1)OCO2	875178342	QCJBYROQVWLTKE-JTQLQIEISA-N	323.349	1.649	50	20	DDGD	
CNC(=O)Cc1ccccc1NC(=O)NNc1ccc(C#N)cc1	1116647667	IVVWURJGNKNLQF-UHFFFAOYSA-N	323.356	1.995	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1ccnc(O[C@H](C)CC)c1	777759507	PSCHBXSPPXTEPX-LLVKDONJSA-N	324.381	1.126	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H](C)c2noc(C)n2)cc1	1117480594	OCVLHYNDEXYYHT-VIFPVBQESA-N	317.349	1.646	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H]1CCC[C@H](C(N)=O)C1	772854983	XRJLECSEABVBBP-QWRGUYRKSA-N	305.382	1.335	50	20	DDGD	
CCOC(=O)Cc1cccc(NC(=O)NNc2ncccn2)c1	775636516	IGXWVCOLGGOKEF-UHFFFAOYSA-N	315.333	1.731	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)CCCCO)c1C	771502385	PRUSTRSWHWMCOW-CYBMUJFWSA-N	308.378	1.381	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cccc2nc[nH]c12	770246941	MRRSTMBXTVQFRR-UHFFFAOYSA-N	309.420	1.035	50	20	DDGD	
COCCOCC(=O)NN=C(C)[C@H](C)NC(=O)OC(C)(C)C	872400624	NPGGGJBNVCTWQU-JTQLQIEISA-N	317.386	1.055	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccoc1Br	770188509	CYXMPEGAYYNXAW-UHFFFAOYSA-N	301.140	1.993	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)C[C@@H](O)c1cccc(F)c1	772747659	ZWHYPYGTTXGZPL-CQSZACIVSA-N	317.320	1.034	50	20	DDGD	
O=C(Cc1cccnc1)NNc1ccnc(Br)c1	771535775	VVDBJNNTVJFGEE-UHFFFAOYSA-N	307.151	1.925	50	20	DDGD	
C[C@@H](CBr)COC(=O)Cn1cc([N+](=O)[O-])cn1	770340270	JOXYJZNROOQLGQ-ZETCQYMHSA-N	306.116	1.366	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1	774345760	SZUUPQOXKXPQCE-QXMHVHEDSA-N	308.382	1.083	50	20	DDGD	
CCC1(C(=O)NNc2ccnc(Br)c2)COC1	771532160	KBRKTBZFVZBMFD-UHFFFAOYSA-N	300.156	1.714	50	20	DDGD	
CC(=O)N(CC(=O)NN(C)C(=O)OC(C)(C)C)c1ccccc1	880277614	ZJOZWBAJMRSAIU-UHFFFAOYSA-N	321.377	1.938	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(O)ccc1C(F)(F)F	887146564	CXCZTNAAIXUOBI-UHFFFAOYSA-N	314.263	1.976	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2ccn(C(F)F)n2)c1	775638804	MWPGZMTVJSBHPJ-UHFFFAOYSA-N	324.287	1.427	50	20	DDGD	
CNC(=O)c1ccc(OC)c(NC(=O)NNc2ccccn2)c1	779026630	XEPDPFYYDVNQKV-UHFFFAOYSA-N	315.333	1.598	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1	778293824	VJFGCYUSAAUKAB-LLVKDONJSA-N	318.295	1.412	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCc1cnccn1)c1ccccc1	1122388388	ABKJFQJMULRXSY-CQSZACIVSA-N	313.361	1.501	50	20	DDGD	
O[C@]1(c2cn(/C(Cl)=C\CBr)nn2)CCOC1	881311066	XIRSIXTYMJXSHF-RHUOIDOPSA-N	308.563	1.318	50	20	DDGD	
OCCOCc1cn([C@]2(Cl)C[C@H]2CCBr)nn1	881383319	UKFQCXQSHPCIRC-PSASIEDQSA-N	324.606	1.484	50	20	DDGD	
CCC[C@H](NC(=O)NNC(=O)c1cccnn1)c1ccccc1	883071739	LMCNNMDQONMWRE-ZDUSSCGKSA-N	313.361	1.962	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NNc2ncncc2Cl)C1(C)C	781017423	XMMMOBFETAHVLX-FXBDTBDDSA-N	313.789	1.816	50	20	DDGD	
COc1ccccc1CC(=O)NNc1ccc(-n2ccnc2)nn1	788175743	YUQLHVPEQONFOP-UHFFFAOYSA-N	324.344	1.357	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1nccnc1C	783508434	XMWNXFKDHFGBHU-AWEZNQCLSA-N	312.329	1.465	50	20	DDGD	
O=C(NNC(=O)c1cn(-c2cccc(Cl)c2)nn1)NC1CC1	780469514	AYFIHDJVRBBSMB-UHFFFAOYSA-N	320.740	1.027	50	20	DDGD	
Cc1cccc2c1CC[C@H]2NC(=O)NNC(=O)C1CCOCC1	883333830	DKBNKDQXYSMKAP-OAHLLOKOSA-N	317.389	1.739	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1ccccc1OCc1ccccn1	785457776	GLBKNOQFFKFACV-UHFFFAOYSA-N	313.357	1.882	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H](F)C(C)C)c1	784294618	MIOUAYBSKOVSIQ-CYBMUJFWSA-N	310.325	1.293	50	20	DDGD	
CCN(C[C@H](O)C(F)(F)F)S(=O)(=O)CCCCCl	780853617	FADOMORRVCLBQC-QMMMGPOBSA-N	311.753	1.580	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc3c(c2)OCCO3)n1	780771613	YTKDNBVPFUQYQJ-UHFFFAOYSA-N	301.302	1.618	50	20	DDGD	
COC[C@H](C)OC(=O)/C(C#N)=C/c1ccc(C(=O)OC)cn1	899339639	SDSPQXSAWHQRDA-PQTFEYQYSA-N	304.302	1.353	50	20	DDGD	
CCS(=O)(=O)c1ccc(F)c(C(=O)NN=c2cc[nH]cc2)c1	781021630	XYMGWKHRKQYWHB-UHFFFAOYSA-N	323.349	1.193	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@H](Br)C(C)(C)C)C[C@H](CO)O1	787470753	FCCPBRHJGAQSHX-BBBLOLIVSA-N	308.216	1.404	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2c(=O)o1)c1cccnc1	788265851	WFPJWYQHVZCPQX-UHFFFAOYSA-N	309.281	1.263	50	20	DDGD	
CCOC(=O)c1ccc(OS(=O)(=O)CBr)cc1	782397590	AWZWNCJFWULKPS-UHFFFAOYSA-N	323.164	1.924	50	20	DDGD	
Cc1cc(S(N)(=O)=O)cc(C(=O)N2CC=C(C#N)CC2)c1C	780686897	PZTQIZKRWDYBEO-UHFFFAOYSA-N	319.386	1.247	50	20	DDGD	
O=C(NNc1ncncc1Cl)N[C@@H]1CCC[C@H]2OCC[C@H]12	781002652	JKLMWFVAKVNARV-FBIMIBRVSA-N	311.773	1.714	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2c(F)cccc2Cl)C(=O)O1	896347007	NSOGNMWIPFOPJJ-RCOVLWMOSA-N	301.705	1.809	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(C)n2)C1(C)C	792979749	MGSOTPSTTJUKIN-RYUDHWBXSA-N	306.366	1.148	50	20	DDGD	
Cc1cnn(C)c1C=NNC(=O)[C@H](C)CN1CCC(C)CC1	794878960	JYUJWDWIDUFKKG-CQSZACIVSA-N	305.426	1.547	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Cc1cccc(C(F)F)c1	790553666	HWRGNVUXIPJIOX-UHFFFAOYSA-N	319.311	1.952	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC[C@@H]2CCC[C@H]2C)n1	798511811	SLZJTHISIUCKRR-MFKMUULPSA-N	307.398	1.267	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CCOCC(F)(F)C(F)(F)F	790257226	JTUCSJDQGWBWPN-UHFFFAOYSA-N	320.258	1.784	50	20	DDGD	
Cc1nn(C)c(C=NNC(=O)c2cccnc2)c1Br	790282587	WPVNEAJWKLFIKQ-UHFFFAOYSA-N	322.166	1.650	50	20	DDGD	
CN1CC[C@H]1CNS(=O)(=O)c1ccc(CCCl)cc1	710287379	JAQSITMLXPNRTQ-LBPRGKRZSA-N	302.827	1.450	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2nnc(C(C)(C)C)s2)n1	798278680	ZMBAICVCTALKFF-UHFFFAOYSA-N	306.395	1.999	50	20	DDGD	
Cc1cnc(COCC(=O)NNc2ccccc2[N+](=O)[O-])o1	794742817	UQBLISAGEVZIKO-UHFFFAOYSA-N	306.278	1.551	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2ncc(Cl)n2C)cc1	799471388	CQSLBOCOBXSLSY-UHFFFAOYSA-N	306.753	1.911	50	20	DDGD	
CCc1cc(C(=O)NNc2cc(C#N)cc(Cl)n2)nn1C	1319988454	FJNIVUSPROERBL-UHFFFAOYSA-N	304.741	1.659	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)c2ccc(F)c(F)c2)n[nH]1	1319580334	YORDERAXHDXDRN-MRVPVSSYSA-N	308.288	1.561	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H](C)COc1ccccc1F	1317964793	WBMULXIQZFDJOA-LLVKDONJSA-N	311.357	1.970	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc(N2CCCC2)c1	1329338895	KNGZCADLESXXHK-DOMZBBRYSA-N	317.389	1.473	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cnnc(-c2ccccc2)c1	1324059152	DDWXJVVPVTWWBY-UHFFFAOYSA-N	315.402	1.661	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2CCO[C@H](C)C2)cc1	1337058247	VUMFTLKLUZVRAO-PWSUYJOCSA-N	307.350	1.207	50	20	DDGD	
CCc1ncc(NC(=O)C(=O)NNc2cccc(Cl)n2)cn1	1261241472	MJAYNVTWQSHJMJ-UHFFFAOYSA-N	320.740	1.169	50	20	DDGD	
NCCCCNC(=O)NNC(=O)c1ccc(Cl)cc1F	1345155450	YQGDWGKUHNEZOY-UHFFFAOYSA-N	302.737	1.162	50	20	DDGD	
Cn1nc(C2CC2)cc1CNC(=O)NNc1ncccc1F	1522483872	VBRTUYAXTVJHAG-UHFFFAOYSA-N	304.329	1.658	50	20	DDGD	
CN(C)C1(C(=O)NNc2cccc(C(=O)O)c2F)CCCC1	1606010811	DCSBNGOFWCXGAW-UHFFFAOYSA-N	309.341	1.841	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CCc2ocnc2C(=O)O)c1	1607170188	OXVWWQPEDNWRDC-UHFFFAOYSA-N	323.280	1.596	50	20	DDGD	
CC[C@@H](C(=O)O)C(=O)OCCCI	1609891356	ILCMWFXLIWOKDC-LURJTMIESA-N	300.092	1.466	50	20	DDGD	
Cc1c(NNC(=O)NCC2CCOCC2)cccc1C(=O)O	1600053451	FQLFSOBSOQOGKA-UHFFFAOYSA-N	307.350	1.746	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc(CC(=O)O)cc2)c(C2CC2)n1	1600932875	USARTTRHIFWYJI-UHFFFAOYSA-N	314.345	1.682	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CC(F)(F)C[C@@H]1C(=O)O	1608170005	QDQJNXRBTOZEGE-DUWGPSABSA-N	322.267	1.620	50	20	DDGD	
COC(=O)CCCC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1606453099	HPGLOUGELKDGAZ-UHFFFAOYSA-N	311.246	1.542	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)c1cnco1	1609559229	OUGQRGMWMGXSCU-UHFFFAOYSA-N	305.685	1.265	50	20	DDGD	
COc1cccc(NNC(=O)c2ccsc2CC(=O)O)n1	1607325937	LVMQPHIXKGEPCZ-UHFFFAOYSA-N	307.331	1.536	50	20	DDGD	
C[C@]1(CNc2cc(-c3nn[nH]n3)ncn2)C[C@H]1Br	1603808160	XVPIARQKCMVJNA-GMSGAONNSA-N	310.159	1.242	50	20	DDGD	
O=C(O)CCc1ccccc1C(=O)NNC(=O)[C@H]1CCCCO1	1602045270	ICDIVRQIJQMVPC-CYBMUJFWSA-N	320.345	1.034	50	20	DDGD	
O=C(NN=C[C@@H]1C[C@@H]1c1ccccc1)[C@H]1CN2CCC[C@@H]2CO1	1549311734	BOMODVFZYUZJCA-YLFCFFPRSA-N	313.401	1.755	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@H]1C(=O)NN=C1CCCOC1	1549320834	QFOHYGRLODIPLY-OCCSQVGLSA-N	306.366	1.170	50	20	DDGD	
CC(Cc1cccs1)=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549319263	SVERPNDMANNTFO-GXTWGEPZSA-N	307.419	1.646	50	20	DDGD	
OCCN(C[C@@H](CBr)C1CC1)C1CCOCC1	859268568	BHVRRCQEVZQTPT-GFCCVEGCSA-N	306.244	1.881	50	20	DDGD	
CC1(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)CNC1	1576351159	XHYUDHPVFKBPQV-UHFFFAOYSA-N	302.161	1.364	50	20	DDGD	
NCC(=O)NNC(=O)c1c(-n2cccc2)sc2c1CCCC2	1580210136	CDMCRBLJFUMNIK-UHFFFAOYSA-N	318.402	1.137	50	20	DDGD	
N[C@@H]1CCC[C@H](C(=O)NNC(=O)CCOc2ccccc2)C1	1580378259	BVRSFBNVQMHNST-QWHCGFSZSA-N	305.378	1.120	50	20	DDGD	
O=C(C1=COCCC1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843366562	GEBAZQWPKXCMEM-LLVKDONJSA-N	316.760	1.419	50	20	DDGD	
O=C(c1ccon1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843363305	WJOSVJPIOFCWRH-VIFPVBQESA-N	301.705	1.026	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C[C@H](C)CC(=O)O)c1ccccc1	1594735742	FZGFBBDCXIHOKA-AAEUAGOBSA-N	306.362	1.829	50	20	DDGD	
CCc1ncc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)s1	1590925271	YJHWDLUBXMVMTH-UHFFFAOYSA-N	316.350	1.038	50	20	DDGD	
CCCNC(=O)NN=C(C)c1ccc(-c2nn[nH]n2)cc1Cl	1590638420	MKSAQPHEABZTQH-UHFFFAOYSA-N	321.772	1.953	50	20	DDGD	
CC[C@H](C)C(=O)NN=C1CCCc2cc(-c3nn[nH]n3)cnc21	1590393940	NRYJKQMXSCCMPU-VIFPVBQESA-N	313.365	1.464	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H]1CC[C@H](C(=O)O)CC1	1599696546	AVIXOXLZWFMPAF-XYPYZODXSA-N	320.345	1.347	50	20	DDGD	
COc1cc(C=NNC(=O)NC2CCCC2)ccc1C(=O)O	1776040129	TZDKFVZALBYOJU-UHFFFAOYSA-N	305.334	1.969	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@H]2CCN(CC(C)C)C2)n1	150738015	FZBIORQEDLXLKO-CQSZACIVSA-N	320.441	1.697	50	20	DDGD	
C[C@H](CC#N)N(C)CC(=O)NNC(=O)c1ccccc1Cl	161723031	SUDMUPWMMWFKPJ-SNVBAGLBSA-N	308.769	1.335	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)n1	152504945	BTHNUNGVDKSJJZ-UPJWGTAASA-N	305.382	1.677	50	20	DDGD	
C[C@H](CBr)CN1CCC2(CC1)NC(=O)N(C)C2=O	152746095	XCDKLCNIHWMUDK-SECBINFHSA-N	318.215	1.034	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CCC(=O)NNc1cccc(F)c1	154687760	SMUPINKRUMXGEV-UHFFFAOYSA-N	307.285	1.772	50	20	DDGD	
CC(C)[C@@H](C)NC(=O)CN(C)NC(=O)OCc1ccccc1	859389271	FDNSIDUJDUWQIO-CYBMUJFWSA-N	307.394	1.920	50	20	DDGD	
O=C(NN[C@@H]1CCS(=O)(=O)C1)Nc1cccc(Cl)c1	10362329	KFEGSZUVKKIJLM-SNVBAGLBSA-N	303.771	1.153	50	20	DDGD	
COCCCOc1cccc(C(=O)NNc2cc(C)ncn2)c1	173609570	JWIKDTQDFYOWPV-UHFFFAOYSA-N	316.361	1.957	50	20	DDGD	
COC(=O)CCCNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	25674112	PJUITJBIQOEGPB-NTUHNPAUSA-N	314.345	1.182	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Cc2cc(F)ccc2F)n1	173075603	XZPFZCVOUSDMDX-UHFFFAOYSA-N	322.315	1.168	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2cnn(C)c2C)c1	54583835	PYSKBNKDHSVPCL-UHFFFAOYSA-N	316.361	1.185	50	20	DDGD	
Cc1[nH]c(-c2ccccn2)n/c(=N\NC(=O)c2cc[nH]n2)c1C	114892148	YWAFVIJFKSUAEJ-UHFFFAOYSA-N	309.333	1.057	50	20	DDGD	
Nc1ccc(C(=O)NNc2nccnc2Cl)cc1[N+](=O)[O-]	114897459	PKEZPAGHFAQDCZ-UHFFFAOYSA-N	308.685	1.377	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)COc1ccccc1F	66307069	FCOKDNUSZHSVMK-NSHDSACASA-N	310.325	1.333	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(C=O)[nH]1	174963785	VITOXJDLQCUSOB-SECBINFHSA-N	319.292	1.195	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@@H](c2ccccc2)C2CC2)cn1	172222871	SAAXTPHZSQGWJO-AWEZNQCLSA-N	313.361	1.515	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1	117820742	DGSKPOHLIAHAPB-UHFFFAOYSA-N	323.696	1.057	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2cscc2C)cc1	175029223	MGUBIOSLWFAVOI-UHFFFAOYSA-N	319.386	1.938	50	20	DDGD	
COc1cc(C(=O)NNc2cnccn2)ccc1OC(F)F	114881802	LGUZJMSWMQWJTH-UHFFFAOYSA-N	310.260	1.844	50	20	DDGD	
Cn1cc(CC(=O)NNc2ccc(Br)cc2)cn1	171244397	VUDWZEDKWFHBTL-UHFFFAOYSA-N	309.167	1.868	50	20	DDGD	
COCCCNC(=O)NNC(=O)C[C@H](C)c1cccc(F)c1	116181103	HUSXXDFSBQXVAV-NSHDSACASA-N	311.357	1.686	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)NC1CC1	64429350	WKJGAQOXMMHBCH-UHFFFAOYSA-N	303.297	1.322	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@@H]2CCc3ccc(F)cc32)cn1	117966128	UPJQPHZZYLLPRO-CYBMUJFWSA-N	317.324	1.191	50	20	DDGD	
CCCc1c(C(=O)NN(C)C(N)=O)cnn1-c1ccccc1	183855963	LLUWTSMASHQXGS-UHFFFAOYSA-N	301.350	1.480	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C(=O)c2cnn(CC)c2)cc1	122754666	GJIWFWUHVCWVSL-UHFFFAOYSA-N	314.345	1.109	50	20	DDGD	
CN(C)CCn1ccc(NC(=O)NNC(=O)CC2CCCC2)n1	186125939	DXESBIMUULATBK-UHFFFAOYSA-N	322.413	1.178	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1ccc(F)c(F)c1	126176888	JRHMPUGKQACGIF-UHFFFAOYSA-N	313.304	1.487	50	20	DDGD	
C[C@@H](OCC1CC1)C(=O)NNC(=O)COCc1ccccc1	78192206	QUSYMWSAOIXVIR-GFCCVEGCSA-N	306.362	1.166	50	20	DDGD	
N#CC1(C(=O)NNc2ccc(-c3ccccc3)nn2)CCOCC1	127986202	OFFOXDBLAUJNRW-UHFFFAOYSA-N	323.356	1.907	50	20	DDGD	
O=C(NCc1cccs1)NNC(=O)c1cccc([N+](=O)[O-])c1	73117435	WVLGDBLSMXQWHD-UHFFFAOYSA-N	320.330	1.801	50	20	DDGD	
C[C@H](CNC(=O)NNc1cccnn1)Oc1ccc(F)cc1	75434781	ZKQIRNMACSXSPC-SNVBAGLBSA-N	305.313	1.709	50	20	DDGD	
O=C(Cc1ccoc1)NNC(=O)c1cccc(OC(F)F)c1	185122140	JDWWZFCKTBMFHW-UHFFFAOYSA-N	310.256	1.885	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1ccnc(Cl)c1F	127806665	GFTJAPDVSSXVFN-UHFFFAOYSA-N	322.727	1.747	50	20	DDGD	
CN(C)C(=O)NNC(=O)CCc1cccc(OC(C)(C)C)n1	127835755	CGRIAHLYPWFVSW-UHFFFAOYSA-N	308.382	1.494	50	20	DDGD	
O=C(CSCc1cscn1)NNC(=O)c1cccnc1	127769015	SHTUHWXQFWWRFE-UHFFFAOYSA-N	308.388	1.233	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)COCc1ccccc1	184940179	AAUSXFMOJBZKOP-UHFFFAOYSA-N	308.378	1.413	50	20	DDGD	
CC[C@@H](C(=O)NNc1ncnc2ccsc12)N1CCCC1=O	132911413	HPCYADWBBWUDTI-JTQLQIEISA-N	319.390	1.535	50	20	DDGD	
CN(C)C(=O)c1ccc(CNC(=O)NNc2ncccn2)cc1	45461433	LIMSZANLPDNXDJ-UHFFFAOYSA-N	314.349	1.005	50	20	DDGD	
Cc1nc(-c2ccccc2)c(C(=O)NNC(=O)C(C)(C)O)s1	192923203	IOBQUILLKVKEKC-UHFFFAOYSA-N	319.386	1.650	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccn1C)N1CCc2ccccc21	195382697	UYMWMDPSDFSRJR-GFCCVEGCSA-N	312.373	1.237	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2cccs2)n[nH]1)c1ccncc1	131584118	FSQRZVBUTJLUHW-UHFFFAOYSA-N	313.342	1.608	50	20	DDGD	
CS(=O)(=O)N1CCCC[C@H]1C(=O)NNc1ccc(F)cc1	44248755	NOQJIKIEMBLQPR-LBPRGKRZSA-N	315.370	1.083	50	20	DDGD	
CCOCCNC(=O)NNC(=O)Cc1c[nH]c2ccccc12	45643191	JXFSKRSQDBTYQT-UHFFFAOYSA-N	304.350	1.077	50	20	DDGD	
CC(=O)N1CC(C(=O)NNc2ccccc2C(F)(F)F)C1	190884764	RRIORSZIDXUTEW-UHFFFAOYSA-N	301.268	1.627	50	20	DDGD	
Cc1nn(C(C)(C)C)cc1C(=O)NNc1nc2ccccn2n1	191918682	CWDQMDSYZHIENE-UHFFFAOYSA-N	313.365	1.746	50	20	DDGD	
Cc1cccnc1C(F)(F)C(=O)NNC(=O)c1ccccc1O	192669059	YIMJOYBQRWYDQN-UHFFFAOYSA-N	321.283	1.649	50	20	DDGD	
COc1nccnc1NNC(=O)c1occc1Br	131841875	SKVYCFHYMDNOJJ-UHFFFAOYSA-N	313.111	1.598	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C[C@@H]2CCCOC2)cc1	195276604	QPUZZHJZTRYIQJ-ZDUSSCGKSA-N	305.378	1.371	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)NCC2CC2)cc1	45459693	WSZHSNBGXKXLHV-NSHDSACASA-N	321.377	1.593	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cccnc1SC(F)(F)F	194937833	QJWZRNCJOAGQEN-UHFFFAOYSA-N	308.285	1.610	50	20	DDGD	
C[C@@](O)(CC(=O)NNc1nc2ccccn2n1)c1ccccc1	191924728	LBBQISBXBXHFDR-MRXNPFEDSA-N	311.345	1.470	50	20	DDGD	
CCN1CCCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)CC1=O	194892965	YBDXBGQGMSDDSE-UVTDQMKNSA-N	313.357	1.380	50	20	DDGD	
O=C(Cc1cnn(-c2ccccc2)c1)NNC(=O)c1ccncc1	192516713	WPVKULOLLJJIEP-UHFFFAOYSA-N	321.340	1.271	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	190310472	VDEAFOBFRPYQLP-UHFFFAOYSA-N	319.252	1.211	50	20	DDGD	
CCC1=C(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCCO1	190214844	ROMPJZWSEBLIKG-UHFFFAOYSA-N	319.317	1.830	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cnc(-c2ccccc2)s1	190046374	LYVXWRDAXVMNFV-UHFFFAOYSA-N	305.359	1.342	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2cc(C#N)cc(Cl)n2)CCC1	92456216	BZPIMZCKUGGOIQ-UHFFFAOYSA-N	322.752	1.783	50	20	DDGD	
O=C(C=C1CCCCC1)NNC(=O)Cc1cn2ccccc2n1	266908536	GMUXWIKVLDBLIV-UHFFFAOYSA-N	312.373	1.915	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNS(=O)(=O)C3CC3)cc2C1	263840664	IPRRQZFGOAKQGN-QMMMGPOBSA-N	314.432	1.600	50	20	DDGD	
C=C1CCN(CC(=O)NNC(=O)Cc2ccccc2C)CC1	268924055	VBQVGYHVTQRFHG-UHFFFAOYSA-N	301.390	1.337	50	20	DDGD	
CC[C@@H]1CCCCN1CC(=O)NNC(=O)c1ccc(F)cc1	267934293	HIFHORPNROZLNG-CQSZACIVSA-N	307.369	1.851	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@]2(C)CCO[C@H]2C2CC2)nn1	364161365	SAPLUAINIAOUJV-DZGCQCFKSA-N	305.382	1.616	50	20	DDGD	
O=S(=O)(CBr)N1CC2(CCC2)[C@H]1[C@H]1CCCO1	368086093	VXTVMDIVGOHXFS-NXEZZACHSA-N	324.240	1.702	50	20	DDGD	
CC(C)(C)C(=O)C(=O)NNC(=O)NCc1ccc(Cl)cc1	276240696	UAKPUSPBWQDCDD-UHFFFAOYSA-N	311.769	1.786	50	20	DDGD	
NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CCI	364620495	TVWGKNKBZZGIRJ-VGMNWLOBSA-N	308.163	1.007	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cncc(OC)n1)c1ccccc1	277199821	FHODJWGMFVAWIR-LBPRGKRZSA-N	314.345	1.440	50	20	DDGD	
Cc1cccnc1NNC(=O)NC[C@@]1(N(C)C)CCSC1	276606443	DDBZMAIEYYGMLC-AWEZNQCLSA-N	309.439	1.453	50	20	DDGD	
C=CC[C@@H](C)NC(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C	273606232	SHLMOFOCTXGMIN-ZJUUUORDSA-N	314.386	1.195	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](C)Oc1ccc(F)cc1Cl	271448761	UEKOTIFYFKFTFU-QMMMGPOBSA-N	317.748	1.939	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1cnn(Cc2ccccc2)c1	273353033	CDPWIUVUMNUDBK-UHFFFAOYSA-N	313.361	1.884	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CCc1ccccc1	276491514	AQIZUJJYGXFCEH-UHFFFAOYSA-N	308.378	1.556	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=O)NC2CC2)cc1[N+](=O)[O-]	275816923	NIASFJPTWIBLSL-UHFFFAOYSA-N	306.322	1.825	50	20	DDGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NNC(C)=O)c1C	279153620	ZEYLYMCMDWJNCJ-LBMJDHPKSA-N	318.377	1.387	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCCCOC)c1ccc(OC)cc1	271717298	IWBYRPWLSZLBSR-AWEZNQCLSA-N	323.393	1.556	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CN1CCCCCC1=O	288842118	WHSVRWKSFGBKEN-UHFFFAOYSA-N	320.349	1.749	50	20	DDGD	
Cc1n[nH]c(NC(=O)c2c(C)nn(CCCl)c2C)c1C#N	288324477	YCXSCYVYEDELTF-UHFFFAOYSA-N	306.757	1.894	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc2c(nc1O)CCCCC2	280869765	BQIKKMWZAFWHIT-UHFFFAOYSA-N	320.418	1.351	50	20	DDGD	
CC(C)(C)[C@H]1C[C@@H](NC(=O)NNc2ncncc2F)CCO1	292985325	JOQVITQRSHRDEN-GXSJLCMTSA-N	311.361	1.836	50	20	DDGD	
CSSCCNC(=O)NC1CCC2(CC1)OCCO2	806385966	QRSPOLWIBBVKIX-UHFFFAOYSA-N	306.453	1.983	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1c(F)ccc(O)c1F	809721863	DEAZEGLAADHGCG-UHFFFAOYSA-N	320.295	1.983	50	20	DDGD	
Cc1c(C(=O)NNc2ncncc2F)nnn1CC1CCCC1	294183535	WYMAHZAUOYALLO-UHFFFAOYSA-N	319.344	1.463	50	20	DDGD	
Cn1cncc1CNC(=O)NNc1cc(C(F)(F)F)ccn1	297120774	PAYCDVBSGSTMQF-UHFFFAOYSA-N	314.271	1.660	50	20	DDGD	
CCc1cc(NC(=O)NNC(=O)c2c[nH]nc2C)ccc1F	806553491	QFFGJMZTEDDSOX-UHFFFAOYSA-N	305.313	1.886	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1cc2ccccc2c(=O)o1	806882420	SSPXUYNQGSJRMF-UHFFFAOYSA-N	316.704	1.993	50	20	DDGD	
COc1ccccc1O[C@H](C)CNC(=O)NNc1ccncn1	296439721	LBQOYIPAWZIJLA-LLVKDONJSA-N	317.349	1.579	50	20	DDGD	
Cc1cnc(OC(C)C)c(NC(=O)NNC(=O)[C@@H]2CCCO2)c1	297214623	VRWWEGOXSFPFQA-LBPRGKRZSA-N	322.365	1.509	50	20	DDGD	
O=C(COC(F)F)NNC(=S)Nc1cccc(Cl)c1	803151270	CGZKTISCGAGZIW-UHFFFAOYSA-N	309.725	1.897	50	20	DDGD	
COCC1(CCNC(=O)NNc2ccc(OC)cn2)CCC1	297738835	KUJOGXSRXMHKDQ-UHFFFAOYSA-N	308.382	1.923	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](N)c2ccccc2C)n1	295144309	IZWFMSPLMHRWTF-CYBMUJFWSA-N	301.350	1.245	50	20	DDGD	
COCc1cccc(NC(=O)NNC(=O)[C@H]2CCCCO2)c1	296318241	KLQLJUCYSYVWFV-CYBMUJFWSA-N	307.350	1.555	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C2SCCS2)cc1	802055971	WNPWVIJFNFOXJE-UHFFFAOYSA-N	313.404	1.654	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)NC1CC1)[C@@H]1OCCc2sccc21	293016552	UZWHFZAAPPJTMM-PELKAZGASA-N	309.391	1.491	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNc2cc(Cl)nc(C)n2)c1C	294792844	BMFQRZDLDIJGBV-UHFFFAOYSA-N	322.800	1.957	50	20	DDGD	
Cc1ccc2c(c1)N(C(=O)C(=O)NNc1cccc(F)n1)CC2	807390854	RMBLFZLMCILCJA-UHFFFAOYSA-N	314.320	1.562	50	20	DDGD	
O=C(NNc1ncccc1F)[C@@H]1CC(=O)N(c2ccccc2)C1	804218941	MOKPEKKKLUUBSL-LLVKDONJSA-N	314.320	1.717	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)NC2CC2)cnc1C(F)(F)F	294098684	MGMAWKDJCZGHSF-UHFFFAOYSA-N	313.239	1.078	50	20	DDGD	
COc1cccc2c(C(=O)NNC(=O)c3ccccn3)n[nH]c12	809537852	DVYLXFKINSHGRY-UHFFFAOYSA-N	311.301	1.041	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@](C)(O)C2CC2)cc1	804171902	NWKIPRAPICOILL-OAHLLOKOSA-N	308.403	1.396	50	20	DDGD	
O=C(NNC(=O)c1csc(O)n1)Nc1ccc(Cl)cc1	802023344	RGBPSUMVKBAUKO-UHFFFAOYSA-N	312.738	1.969	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)N[C@H]2CC2(C)C)cc1OC	299069966	UXZLLKNAJFKSEL-ZDUSSCGKSA-N	321.377	1.836	50	20	DDGD	
Cc1ccc(C[C@@H](C)C(=O)NNC(=O)[C@H]2CCCCO2)cc1	295369554	JXFOMBLCKNJCPH-UKRRQHHQSA-N	304.390	1.890	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCc1ccc(C(N)=O)cc1	298695567	UFAROWZANFUMCH-UHFFFAOYSA-N	308.338	1.024	50	20	DDGD	
Cn1[nH]cc2c(=NC(=O)NNc3ncccc3F)ccnc1-2	806493157	PXEQTJBDSYCZSM-UHFFFAOYSA-N	301.285	1.025	50	20	DDGD	
COc1cc(Cl)cc(C(=O)NNC(=O)[C@@H]2CCCCO2)c1	295661470	WBRBFCOBOJHODT-LBPRGKRZSA-N	312.753	1.679	50	20	DDGD	
O=C(NNc1ncccc1F)Nc1ccc(-n2ccnn2)cc1	806251345	UWZAGDAYAGHDFD-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
Cn1nncc1NNC(=O)c1cc2ccccc2c(Cl)n1	816770029	GZNGGKIOSBLLDV-UHFFFAOYSA-N	302.725	1.774	50	20	DDGD	
CCCN1C[C@@H](CNC(=O)NN(C)c2ccccc2)CC1=O	817174101	YOILYVLRNSKWDX-CYBMUJFWSA-N	304.394	1.596	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2ccnc(N(C)C)c2)CC[C@@H]1C(=O)O	814844469	KOZXTOCJGJRJNF-GWCFXTLKSA-N	318.377	1.754	50	20	DDGD	
O=C(NN=C[C@H]1CCCOC1)c1nnc(-c2ccccc2)o1	814816484	VEVZECPFOSPKIG-LLVKDONJSA-N	300.318	1.879	50	20	DDGD	
Cn1c(Cl)nc(Cl)c1C=NNC(=O)N1CCOCC1	814821354	RRUFFYLVWKYVOZ-UHFFFAOYSA-N	306.153	1.103	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2ccc3ccccc3c2O)CC1	814913056	GMCMBXRGGZOKQV-UHFFFAOYSA-N	312.373	1.836	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cccc(C#N)n2)cc1	810007832	RQRNKLGKZHBSSK-UHFFFAOYSA-N	309.329	1.135	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cc(C)ccc1C	728437943	YQFCCPMLOAUUAP-GFCCVEGCSA-N	311.407	1.081	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)N=c2cc[nH]cc2)n(C)c1C	815001364	FUPFDKRSLPMHDB-UHFFFAOYSA-N	315.333	1.093	50	20	DDGD	
Cc1cccc(C)c1NC(=O)C(=O)NNc1ncncc1F	815765500	TUASEYBFAOOUOF-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
CN(NC(=O)c1nc(Br)c2ccccn12)C1CC1	823250905	KNFYXXBXJMENAE-UHFFFAOYSA-N	309.167	1.836	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C/c2cc(O)ccc2[N+](=O)[O-])n1	490811291	FBYKKGNXSMPDMW-UXBLZVDNSA-N	313.273	1.580	50	20	DDGD	
COCCCCN(C)C(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	491160127	KHEIGYUBTAEWHT-DHDCSXOGSA-N	314.389	1.997	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cnn(-c2ccccn2)c1C(C)C	495628807	LFVFARPEZHCFSR-UHFFFAOYSA-N	317.349	1.734	50	20	DDGD	
C[C@H]1CCC[C@@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1	494540205	RRYCIOQOEMYXOM-WDEREUQCSA-N	313.398	1.485	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1	824869133	YNZFNESYYVMWRQ-NOZJJQNGSA-N	314.349	1.315	50	20	DDGD	
C[C@@H]1CCCC[C@H]1C(=O)OCC(=O)NNC(=O)c1cccs1	820939901	OAGNRFUTKSOHOK-GHMZBOCLSA-N	324.402	1.879	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccn(C)n2)c1C	727364942	IHGPPLACNBVHBJ-GFCCVEGCSA-N	316.361	1.265	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1CNC(=O)c1cc(B(O)O)ccc1F	584995121	IZJRQELNMNRIEN-VXGBXAGGSA-N	307.174	1.452	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2noc3c2CCCC3)c1	728825875	UITQJSGIMCGOTR-UHFFFAOYSA-N	310.313	1.500	50	20	DDGD	
CC(C)[C@H](NCc1ccccc1B(O)O)[C@@H](O)c1ccccc1	585038846	LMDZAOIBGJXZQS-ROUUACIJSA-N	313.206	1.214	50	20	DDGD	
CN(C)CCn1cc(NC(=O)[C@]2(C)C[C@H]2Br)cn1	906483757	OVZIZELKJVEHKK-ZYHUDNBSSA-N	315.215	1.557	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)Cc1c[nH]c2ccccc12)C(C)C	491632365	OURPHLDENUDZLA-CQSZACIVSA-N	312.373	1.699	50	20	DDGD	
CSCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NN	825645059	OGZUBWZOPHKHKW-ZDUSSCGKSA-N	318.402	1.076	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)C(F)(F)C(F)F	826447655	PTGMRYSCTWWSQK-UHFFFAOYSA-N	304.207	1.210	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)C)ncn1	734255113	BGBBIQLTACCUOM-LBPRGKRZSA-N	322.413	1.350	50	20	DDGD	
COc1ccnc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1	826220819	BDZIPMDDTICEGY-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
CC(C)[C@H](NCc1cccc(B(O)O)c1)[C@@H](O)c1ccccc1	585039537	WQLVBBJQEDJDDC-ROUUACIJSA-N	313.206	1.214	50	20	DDGD	
COC(=O)N(C)N=C(C)c1cccc(OCC(=O)N(C)C)c1	495808297	DSTZXOYVMSYYHV-UHFFFAOYSA-N	307.350	1.576	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccnc(NC2CCC2)c1	900175391	YBYNIOFZMPOMKP-UHFFFAOYSA-N	302.378	1.997	50	20	DDGD	
CCc1[nH]c(C(=O)NNc2cc(C)ncn2)c(C)c1C(=O)O	737244710	RAPSJQMGGWPQEZ-UHFFFAOYSA-N	303.322	1.439	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCCO1)c1ccc(N)c([N+](=O)[O-])c1	834984527	BDZBZOPJQYXLOR-CYBMUJFWSA-N	306.322	1.586	50	20	DDGD	
Cc1ccc([C@H](O)[C@H](C)NCc2ccc(B(O)O)cc2F)cc1	585047610	DTKHXTMTKRRZOE-YVEFUNNKSA-N	317.169	1.026	50	20	DDGD	
CO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	838671663	JGISWKFUFXPKSE-VXGBXAGGSA-N	322.321	1.106	50	20	DDGD	
COc1ccc2nc(NNC(=O)CN(C)C(=O)O)c(C)cc2c1	833735007	QNHQXFVCMIBUSO-UHFFFAOYSA-N	318.333	1.605	50	20	DDGD	
C[C@@H]1c2ccc(F)cc2CCN1CC(=O)NNC(=O)C1CC1	738341090	NCPRWGULKIKKTA-SNVBAGLBSA-N	305.353	1.302	50	20	DDGD	
O=C(CO)NN=C1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]12	834971006	UCRWXMHTZYJNHX-GDBMZVCRSA-N	301.390	1.526	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NCC(C)(C)OC)ccc1F	838498369	RLCJGJNVTVHPQJ-UHFFFAOYSA-N	313.329	1.663	50	20	DDGD	
CCc1[nH]c(C(=O)NNC(=O)c2ccc(C)o2)c(C)c1C(=O)O	830196994	PATCUEHSKSASHD-UHFFFAOYSA-N	319.317	1.560	50	20	DDGD	
COc1ccc(CCC(=O)NN=Cc2ccnc(OC)n2)cc1	834944676	QPSXDJYIFJRVSW-UHFFFAOYSA-N	314.345	1.577	50	20	DDGD	
C=CCC(=NNC(=O)CN1CCCC1=O)c1ccc(F)cc1	735613118	ZDRBYJTWNHTCHD-UHFFFAOYSA-N	303.337	1.845	50	20	DDGD	
C=C(C)CN(CC)C(=O)COC(=O)/C(C#N)=C/c1cnn(C)c1	837968556	DYYLUYVFKDBKBE-MKMNVTDBSA-N	316.361	1.295	50	20	DDGD	
O=C(CCC(=O)N1CC[C@@H](B(O)O)C1)c1ccc(F)cc1F	585068740	GSMAOMZABZZYCP-SECBINFHSA-N	311.093	1.003	50	20	DDGD	
C[C@@](O)(CNCc1ccccc1B(O)O)c1cccc(Cl)c1	585036053	CSFRHZLAJNZRDQ-MRXNPFEDSA-N	319.597	1.017	50	20	DDGD	
O=C(COCC1CCCC1)NNC(=O)COc1ccccc1F	836209315	YDUSKZQECFFHNA-UHFFFAOYSA-N	324.352	1.559	50	20	DDGD	
CO[C@@H]1COCC[C@@H]1CNC(=O)NNc1ccc(Cl)nc1	838657203	CUGGRRGOAPMBCU-MWLCHTKSSA-N	314.773	1.413	50	20	DDGD	
C[C@@H](C[C@@H](C)N)NC(=O)NNC(=O)Nc1ccc(Cl)cc1	831223786	KHSGUVLCWXOSIX-BDAKNGLRSA-N	313.789	1.802	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C[C@H]2C[C@H]3CC[C@H]2O3)cc1	836217407	JQZDXWORDFVBJP-RBSFLKMASA-N	302.374	1.968	50	20	DDGD	
CCOC(=O)[C@H]1CN(C[C@@H](C)CBr)CC12COC2	830274803	TWLKNTZHBVPHBC-WDEREUQCSA-N	320.227	1.529	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1c[nH]c2ncccc12	732110698	KEVBTVYSUYMZIJ-UHFFFAOYSA-N	321.300	1.765	50	20	DDGD	
OB(O)c1ccc(CNCC2CCC(C(F)(F)F)CC2)o1	585027050	NTLUSIMYMCTZOE-UHFFFAOYSA-N	305.105	1.418	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1cnn2ccccc12	732288426	NHPGIQXDOFAAHW-UHFFFAOYSA-N	324.340	1.434	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)C2=CCC(C)(C)CC2)n1	836219878	KPSNDQNRZVFPJO-UHFFFAOYSA-N	304.394	1.784	50	20	DDGD	
N#Cc1c(N2CC[C@@H](B(O)O)C2)nc2c(c1C#N)CCCCCC2	585074229	VCCUEQOOJBRFGY-GFCCVEGCSA-N	324.193	1.537	50	20	DDGD	
COc1cc(Cl)ccc1S(=O)(=O)NNC(=O)C1CCC1	732047728	BTEYKNCCIDSUCA-UHFFFAOYSA-N	318.782	1.458	50	20	DDGD	
Cc1ccccc1-n1ncc(C(=O)NCB(O)O)c1C(C)C	585061993	AYXHJJYQAQVBNH-UHFFFAOYSA-N	301.155	1.046	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1C(=O)OCC(=O)NNC(=O)c1ccccc1	837844899	WEMHSLRYGWJPJT-OCCSQVGLSA-N	318.373	1.817	50	20	DDGD	
CCS(=O)(=O)N[C@H](C)C(=O)NNc1ccc(Cl)c(F)c1	830842545	DTBFQFKVSILRJS-SSDOTTSWSA-N	323.777	1.250	50	20	DDGD	
O=C(NNC(=O)C1CC(c2ccc(F)cc2)C1)c1ncon1	832825585	AHFYWUCDNMVLOF-UHFFFAOYSA-N	304.281	1.164	50	20	DDGD	
C[C@@H](Cc1cccc(O)c1)NC(=O)NNC(=O)[C@@H]1CCCCO1	837811056	GPZDSDIBNVVXQM-FZMZJTMJSA-N	321.377	1.223	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NN(C)C[C@@H](C)O)cc1OC	910165086	FRCRPIQIIIMWRS-LLVKDONJSA-N	310.394	1.325	50	20	DDGD	
C[C@]1(C(=O)Nc2ccc(CO)c(CO)c2)C[C@@H]1Br	912603528	TVFPIZOKJXZNKU-AAEUAGOBSA-N	314.179	1.783	50	20	DDGD	
CCc1nc(NC(=O)NNC(=O)[C@H]2CCCCO2)sc1C	836437475	NWDJIOCZZPESQH-SNVBAGLBSA-N	312.395	1.736	50	20	DDGD	
O=C(CCc1ccccc1O)NN=Cc1ccc(C(=O)O)[nH]1	749816037	VLUMUEXMUMASFG-UHFFFAOYSA-N	301.302	1.501	50	20	DDGD	
CN(C)c1nccc(NNC(=O)Cc2ccc(Cl)cc2)n1	740108244	UZVIARACKPIWHA-UHFFFAOYSA-N	305.769	1.882	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)Cc1cc(F)ccc1Br	910160728	NJSJBQUXTLJNDF-MRVPVSSYSA-N	319.174	1.475	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)c2ccncc2)c1Cl	742032020	WERHIXVDRPPRIK-UHFFFAOYSA-N	307.741	1.335	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H]2CCn3ccnc3C2)c1	749263146	PWWHPKCUQNWHSP-JTQLQIEISA-N	304.325	1.737	50	20	DDGD	
O=C(NNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(Cl)cc1	917900108	DPRPWIHRWKXRRU-UHFFFAOYSA-N	308.681	1.651	50	20	DDGD	
CC[C@](O)(CC(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1ccccc1	843964268	CFOXGJOTUWEHPB-JDFRZJQESA-N	320.389	1.247	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)ccc1C	843654942	KNULLNOUVOQRQA-AAEUAGOBSA-N	304.346	1.384	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@@H]1CCO[C@H]1c1ccncc1	846633073	WKFGEHYRNAHFGB-KOLCDFICSA-N	317.267	1.259	50	20	DDGD	
CS[C@@H](C)CC(=O)NNc1ncc(Br)cn1	848321032	GNQXKEKUYQVPTB-LURJTMIESA-N	305.201	1.824	50	20	DDGD	
C[C@]1(CCC(=O)NNc2ccc(F)c([N+](=O)[O-])c2)CCC(=O)N1	842247779	PDOWLUVRVPMDOF-CQSZACIVSA-N	324.312	1.626	50	20	DDGD	
C[C@]1(C(=O)NNc2ncc(Br)cn2)CCCCO1	848323008	VSMJUCWJANJCEI-LLVKDONJSA-N	315.171	1.641	50	20	DDGD	
NC[C@@H]1CC[C@@H](NC(=O)NNC(=O)c2cc3ccccc3o2)C1	842011392	UEOURBOPTOJKQJ-ZYHUDNBSSA-N	316.361	1.504	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)s1	843641402	CAPIFBQGWJTILS-UWVGGRQHSA-N	311.407	1.590	50	20	DDGD	
COc1ncccc1NC(=O)NNC(=O)Nc1ccccc1	918542625	BKHPHGRDYQASND-UHFFFAOYSA-N	301.306	1.948	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1(Cc2ccccc2)CCC1	843652474	JMBISTIPFTXERL-DZGCQCFKSA-N	316.401	1.972	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=Cc1cncn1CC	841607258	STXGBPMJGUKYMN-UHFFFAOYSA-N	316.361	1.831	50	20	DDGD	
O=C(CSCc1ccccn1)NNC(=O)c1ccccc1F	918277958	OQHFFBYDFFBNDR-UHFFFAOYSA-N	319.361	1.915	50	20	DDGD	
Cn1c(=NNC(=O)c2n[nH]c3c2CCC3)sc2ccccc21	916095114	WTUBNEDZEUGUTD-UHFFFAOYSA-N	313.386	1.697	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O	843776513	PRENWRBUIPYZCY-UHFFFAOYSA-N	316.701	1.308	50	20	DDGD	
Cc1cc2c(cc1C)O[C@H](C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)C2	843654816	SOKKEFBVRUEULE-ZLDLUXBVSA-N	318.373	1.179	50	20	DDGD	
CCC(=NNC(=O)c1ccnc(N(C)C)c1)c1cnn(C)c1	741810203	SJSJUUDJWZWADD-UHFFFAOYSA-N	300.366	1.425	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Cc1cccc([N+](=O)[O-])c1	742037116	QGTFNYBLTYCDOV-UHFFFAOYSA-N	313.313	1.907	50	20	DDGD	
CC(C[C@H]1CCCC(=O)N1)=NNC(=O)CCN1CCCCCC1	841609766	BDVBFTRWPJZAMC-OAHLLOKOSA-N	322.453	1.803	50	20	DDGD	
CC(=O)OCC(C)(C)CC(=O)NNc1cc(Cl)nc(C)n1	841472220	ZSEYHTFRIINCRG-UHFFFAOYSA-N	314.773	1.861	50	20	DDGD	
Cc1nnc(-c2ccc(C(=O)NNC(=O)C3CCCC3)cc2)o1	746121887	OPZSKTJZUVXLFZ-UHFFFAOYSA-N	314.345	1.996	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H]2COC[C@H]2C)cc1F	926020386	SYGITGQBDCMJHL-PRHODGIISA-N	311.313	1.273	50	20	DDGD	
C[C@@H](Cc1ccncc1)NC(=O)NNC(=O)c1ccccc1O	749622699	ZMSNIEPCHXPKQD-NSHDSACASA-N	314.345	1.362	50	20	DDGD	
CC(C)Cc1ccc(CC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	843644172	ONEMACKWHBKUMQ-BBRMVZONSA-N	318.417	2.000	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ccccc2Br)o1	748069610	CEVQGGIIFOJOCR-UHFFFAOYSA-N	324.134	1.898	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNC(=O)COc1ccc(C)cc1	920885091	YWZXGJMLCPFQBT-ZDUSSCGKSA-N	308.378	1.726	50	20	DDGD	
C[C@H](CCOc1ccccc1)C(=O)NNC(=O)c1ncccn1	841350781	SNSVWEACZIIGQW-GFCCVEGCSA-N	314.345	1.343	50	20	DDGD	
COc1cc(C=NNC(=O)NCC2CC2)ccc1OC(C)=O	920828949	JMICQVVASONVJU-UHFFFAOYSA-N	305.334	1.664	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)C[C@@H](OC)C1CCCC1	849306907	AWPIEOVOOGCTSF-GFCCVEGCSA-N	321.443	1.125	50	20	DDGD	
CC(C)[C@H]1C[C@H](c2nc(-c3cccc(B(O)O)c3)no2)CCO1	924145734	KHBIYAJGQNZXEE-TZMCWYRMSA-N	316.166	1.335	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	755406052	PZNJTADISTVTPK-UHFFFAOYSA-N	302.674	1.047	50	20	DDGD	
C[C@H](CNC(=O)NNc1ccc(-n2cccn2)nn1)C1CC1	920054610	SEGZIKPNIQWVDW-SNVBAGLBSA-N	301.354	1.335	50	20	DDGD	
CN(Cc1cnc[nH]1)C(=O)NC[C@@]1(C)C[C@@H]1Br	856892802	JOLSPQHDPPWQKZ-GXSJLCMTSA-N	301.188	1.725	50	20	DDGD	
CNC(=S)N(C)NC(=O)COCc1cccc(Cl)c1	854927683	ODJNKVUDWKCEIU-UHFFFAOYSA-N	301.799	1.324	50	20	DDGD	
O=C(NN=Cc1ccccc1C1CC1)[C@@H]1CCS(=O)(=O)C1	751133825	GWMUKKITFIRPGR-CYBMUJFWSA-N	306.387	1.449	50	20	DDGD	
CCC1(C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)CCC1	855831880	LAFQBGQWLWABRZ-UHFFFAOYSA-N	311.426	1.657	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC[C@]2(C)CCCO2)cc1	756084272	JUWQIJVHJKBQFA-INIZCTEOSA-N	321.377	1.273	50	20	DDGD	
COCc1nc(C)c(C(=O)NNC(=O)NCc2ccco2)s1	758714353	JYHJRHAZWSHGOQ-UHFFFAOYSA-N	324.362	1.335	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=S)NCC2CCC2)cs1	855088079	VEEDHCABMDEWIM-UHFFFAOYSA-N	311.432	1.860	50	20	DDGD	
CN(Cc1cnn(C)c1)C(=O)NC[C@@]1(C)C[C@H]1Br	856899104	AMQIXLOQIYSTGK-ZYHUDNBSSA-N	315.215	1.735	50	20	DDGD	
Cn1c(C(=O)NNc2ncnc3ccsc23)cccc1=O	757096777	VGEPAQMOVBWPRY-UHFFFAOYSA-N	301.331	1.147	50	20	DDGD	
CCCn1nccc1C=NNC(=O)CCNC(=O)OC(C)(C)C	853329765	FEXBZGHUDNYBMI-UHFFFAOYSA-N	323.397	1.658	50	20	DDGD	
C=CCC(F)(F)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855832452	CEFXIKFZHXPSQO-UHFFFAOYSA-N	319.352	1.288	50	20	DDGD	
O=C(CCc1cccnc1Cl)NNC(=O)[C@@H]1CCCCO1	854683201	LMUZDYRPSRLWHF-NSHDSACASA-N	311.769	1.384	50	20	DDGD	
CCc1ccc(O)c(C(=O)NNC(=S)N[C@H](C)C2CC2)c1	855098878	NIRLJNASWRTQNY-SECBINFHSA-N	307.419	1.862	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)CCNS(C)(=O)=O	928336212	FRMYCCSOTLGTSR-UHFFFAOYSA-N	305.787	1.031	50	20	DDGD	
COCCC1(C(=O)NNC(=O)c2cccc(F)n2)CCCC1	856422716	CAZMJDILHCJICW-UHFFFAOYSA-N	309.341	1.579	50	20	DDGD	
CC1(O)CCN(C(=O)NC[C@@]2(C)C[C@@H]2Br)CC1	856897977	UZUNAGNYTZXGFJ-GXSJLCMTSA-N	305.216	1.716	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1[C@H]2CC[C@H]1CC(=O)NC2	752518175	XUVCTKVYXKHOIZ-FVLQDRJJSA-N	313.332	1.612	50	20	DDGD	
COCCC1(CNC(=O)NNC(=O)c2cc(C)cs2)CC1	858305049	NSECCYIXJLKPGT-UHFFFAOYSA-N	311.407	1.817	50	20	DDGD	
Cc1nnc(NNC(=O)c2cccc(N3CCCC3)c2)nc1O	856794695	SRJLXBZZWBOSJL-UHFFFAOYSA-N	314.349	1.243	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]32)nc(C)n1	857130531	JNXJBXHACQCTQU-UPJWGTAASA-N	317.393	1.231	50	20	DDGD	
CC(CC1CCOCC1)=NNC(=O)CNC(=O)c1ccco1	757573510	AUWVTVVIKDBFRK-UHFFFAOYSA-N	307.350	1.318	50	20	DDGD	
CC(C)(C)[C@@H](C(=O)O)C(=O)NNc1nc(-c2ccccc2)no1	852952011	TXWLDWOEFQZIRA-SNVBAGLBSA-N	318.333	1.927	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Nc2cnn(CC3CC3)c2)c1	756813159	KZGWLZCYRJVJJY-UHFFFAOYSA-N	324.344	1.631	50	20	DDGD	
CC(CN1C(=O)CCC1=O)=NNC(=O)c1cc(Cl)ccc1O	754916370	CYVYCFQSMJHEBR-UHFFFAOYSA-N	323.736	1.300	50	20	DDGD	
CCC(=O)c1ccc(C(=O)NNc2nnc(C)c(O)n2)cc1	761019585	ANDRNNSKEMUWNV-UHFFFAOYSA-N	301.306	1.235	50	20	DDGD	
CCO[C@H](C)c1ncc(C(=O)NNc2nccnc2OC)s1	764466312	ZRSFPXGHDCPNSW-MRVPVSSYSA-N	323.378	1.796	50	20	DDGD	
CC1(C)[C@]2(C(=O)NNC(=O)CC3CCCC3)CC[C@@]1(C)C(=O)O2	863864100	SYYMOEFTVAFTTC-DLBZAZTESA-N	322.405	1.836	50	20	DDGD	
CN(C)C[C@](C)(O)CNC(=O)[C@H](Br)C(C)(C)C	768326858	ZQQIAMNTUFSZJS-JOYOIKCWSA-N	309.248	1.225	50	20	DDGD	
O=C(NNC(=O)C1CC1)C(=O)Nc1cccnc1-c1ccccc1	763559103	YJFINOJCWNMOBU-UHFFFAOYSA-N	324.340	1.245	50	20	DDGD	
CNC(=O)[C@@H](C)NC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	769956471	BSHJBJGICVPKBM-JXVAYASWSA-N	303.200	1.191	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1F)c1ccc2nnc(O)n2c1	763093298	VBSAZDBQBSXKFP-UHFFFAOYSA-N	323.234	1.609	50	20	DDGD	
N#CCSc1ccccc1C(=O)NNc1ncc(F)cn1	762087438	JEBZIGFKXRXQFS-UHFFFAOYSA-N	303.322	1.988	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C[C@@H]1CCC[C@@H](C(F)(F)F)C1	863184335	WYJULKMOBBURNY-RKDXNWHRSA-N	314.329	1.502	50	20	DDGD	
COc1cc(F)cc(OC)c1/C=C(/C#N)S(=O)(=O)N(C)C	865224728	UMORRPPXAYPVNY-YFHOEESVSA-N	314.338	1.599	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NNC(=O)CC(C)C)c(OC)c1	861337272	AVGJXVFVICKILE-UHFFFAOYSA-N	322.365	1.254	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)Nc1cccc2cnccc12	764340911	AMJHVDILJPXLLZ-UHFFFAOYSA-N	312.329	1.121	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1)c1cscn1	767900768	WVHFFBOQTTZNKE-SDDRHHMPSA-N	324.450	1.729	50	20	DDGD	
OB(O)c1cccc(CNc2cccc(Br)c2)c1	864018276	AZYPFLPKVIRWQM-UHFFFAOYSA-N	305.968	1.741	50	20	DDGD	
CCCc1nnc(S)n1CC(=O)NN[C@@H](C)C(F)(F)F	862308954	JWPSOAADYNHZSA-LURJTMIESA-N	311.333	1.091	50	20	DDGD	
COc1cc(C(=O)NN=Cc2cncs2)cc(OC)c1OC	767746387	HEIBFIMRBSVDKD-UHFFFAOYSA-N	321.358	1.933	50	20	DDGD	
COC(=O)[C@@H](CC1CC1)NS(=O)(=O)CC(C)(C)CCl	867403722	UEYMUMCWSVALBJ-SNVBAGLBSA-N	311.831	1.513	50	20	DDGD	
O=C(CCc1nnc(C2CCCC2)o1)NNc1ncccn1	760339926	XYEUBCZIXGBJQD-UHFFFAOYSA-N	302.338	1.593	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ncc(Br)s1	765251827	MHUXJHMZQIODOE-UHFFFAOYSA-N	321.200	1.650	50	20	DDGD	
COC(OC)C(=O)NNC(=O)c1c(Cl)cccc1Cl	874329230	NPCBMTDZUDKPII-UHFFFAOYSA-N	307.133	1.373	50	20	DDGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1OC[C@@H]2CCC[C@@H]21	879518086	NTBTVFBXHBIALO-GMOODISLSA-N	309.297	1.992	50	20	DDGD	
O=C1CCCc2cc(C(=O)NNc3ncc(F)cn3)ccc2N1	760908441	QAYZNZYIRZCGBI-UHFFFAOYSA-N	315.308	1.647	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NN=c1cc[nH]cc1Cl	879133912	MLSPBKNQIHLPLL-OQPBUACISA-N	305.769	1.689	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C[C@@](C)(O)C2CC2)c1	874949820	FMOPYAYARXELSS-MRXNPFEDSA-N	317.414	1.537	50	20	DDGD	
C[C@H](CBr)COC(=O)CN(C)c1ncccn1	770338029	ASOUFOYEJCSECC-SECBINFHSA-N	302.172	1.487	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)Cc1cccs1	771879787	AFIZDDGQADOWIH-JTQLQIEISA-N	312.391	1.416	50	20	DDGD	
CCc1cnccc1CNC(=O)NNC(=O)Cc1ccncc1	779407827	CUAITYZTARJYIJ-UHFFFAOYSA-N	313.361	1.112	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1cccc(C2CCC2)c1	879618024	UEECXBAOSGFVMC-UHFFFAOYSA-N	321.377	1.770	50	20	DDGD	
CCCNC(=O)NNC(=O)Cc1c[nH]c2cccc(OC)c12	778655719	VKMZCUNXDALLFA-UHFFFAOYSA-N	304.350	1.459	50	20	DDGD	
C[C@@H]1COCCCN1C(=O)NNC(=O)COCc1ccccc1	773021680	DVSIRCNMJSTRCF-CYBMUJFWSA-N	321.377	1.055	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2CCC(=O)C2)cc1C	873762357	WIOYHONLXYYZGQ-NSHDSACASA-N	305.403	1.990	50	20	DDGD	
CSCc1ccc(NC(=O)C(=O)NNc2ncccn2)cc1	773718980	JTDXBFVHRCSVMZ-UHFFFAOYSA-N	317.374	1.421	50	20	DDGD	
Cc1ncc(NC(=O)C(=O)NNc2c(C)cccc2F)s1	770821638	HMNUJKCGLPEIJG-UHFFFAOYSA-N	308.338	1.981	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNC(=S)Nc1ccccc1OC	873768854	FGPIFKDGLBWFDA-AWEZNQCLSA-N	306.391	1.953	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cnc(C(F)(F)F)nc1	777762398	JJFZZCZAJCNKTK-UHFFFAOYSA-N	324.262	1.879	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)c1coc(C2CC2)n1	776832855	VPRLILIBPRXIPQ-UHFFFAOYSA-N	324.340	1.968	50	20	DDGD	
COc1nn(C)cc1C(=O)N(C)NC(=O)OCc1ccccc1	883974366	YVRKSZSTJRSCGP-UHFFFAOYSA-N	318.333	1.342	50	20	DDGD	
Cn1nc(CCNC(=O)NNC(=O)C2CCC2)c2ccccc21	773472753	JTAZJOPIBQEXEK-UHFFFAOYSA-N	315.377	1.246	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NC[C@H]1C=CCC1	883833295	YYSSHKLASNLBDI-RYUDHWBXSA-N	321.352	1.890	50	20	DDGD	
CC(C)C[C@]1(CO)CCCN1CC(=O)NNC(=O)C(C)(C)C	789512714	BEMWTKHVQGDRNM-INIZCTEOSA-N	313.442	1.053	50	20	DDGD	
C=Cc1ccccc1NC(=O)NNC(=O)[C@@H](C)OCCOC	880208883	XKKNNEYBFUSUIX-LLVKDONJSA-N	307.350	1.534	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H]1CO[C@@H](C)C1	784142662	KNDXFGVCGLRDPZ-AAEUAGOBSA-N	306.362	1.200	50	20	DDGD	
C[C@@H](NCC(=O)NNC(=O)c1ccc(C#N)cc1)c1ccccn1	782987852	SALXBOPIFUUKHX-GFCCVEGCSA-N	323.356	1.065	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCC(C)(C)C#N)c1	781954477	VWBRAVSFIHSWBA-UHFFFAOYSA-N	303.366	1.246	50	20	DDGD	
Cc1nc(Cl)ccc1NC(=O)NNC(=O)c1c[nH]nc1C	788800460	HMILMGNTYWIYLN-UHFFFAOYSA-N	308.729	1.541	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNC(=O)c1cccc(F)n1	880770550	UDYAWMWLKYWBRY-AMIZOPFISA-N	317.324	1.071	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C(C)C)cc1OC(C)C	787541176	NEGSITWFWRWXHX-UHFFFAOYSA-N	321.377	1.524	50	20	DDGD	
Nc1ncc(C=NNC(=O)Nc2ccc(OC(F)F)cc2)cn1	781593428	ZVXIMJDKTOJICJ-UHFFFAOYSA-N	322.275	1.816	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccc(Nc2ncccn2)c1	780708030	CEVGCNYIVRBCIO-UHFFFAOYSA-N	314.349	1.526	50	20	DDGD	
C#CCSCC(=O)NNC(=S)Nc1ccc(OCC)cc1	895591053	IOTRKBQSEQPLMH-UHFFFAOYSA-N	323.443	1.769	50	20	DDGD	
CSC[C@@](C)(O)CNS(=O)(=O)c1ccc(CCl)cc1	388826662	UOHGYGBAUGSUEJ-LBPRGKRZSA-N	323.867	1.818	50	20	DDGD	
Cc1ccc2c(C(=O)NNC(=O)Cc3cc[nH]n3)csc2c1	795084321	DEMUPWFBADMEIL-UHFFFAOYSA-N	314.370	1.937	50	20	DDGD	
CCN(C)c1ccc(C=NNC(=O)c2sc(N)nc2C)cn1	790153848	LQFBRFDJEICIFP-UHFFFAOYSA-N	318.406	1.649	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCc2ccc(C#N)cc2)n1	794080537	TXOVAXNVZUMUAK-UHFFFAOYSA-N	308.341	1.656	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H](C)CCC(=O)OC(C)C	792304142	LCLRINXYLYXIMD-LLVKDONJSA-N	301.387	1.483	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H]2[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)n1	793010549	DCIRAKFGTRNZIS-SZQXGKNRSA-N	312.373	1.322	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@H](O)c1ccccc1	791147581	FFKBEXDGZGOVAI-CYBMUJFWSA-N	305.265	1.911	50	20	DDGD	
Cn1nncc1C(=O)NNc1ccc(Br)c(F)c1	798992425	POFOUOOYHGZOKP-UHFFFAOYSA-N	314.118	1.474	50	20	DDGD	
CCn1ncc(NC(=O)NNC(=O)CC2CC2)c1C(F)(F)F	799237733	IZBMZRQNVVSXMX-UHFFFAOYSA-N	319.287	1.875	50	20	DDGD	
C=C(CBr)CN1C[C@@H](CO)C[C@H](OCCOC)C1	791539861	IINUQNGOAXMOIK-STQMWFEESA-N	322.243	1.283	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1ccc2c(c1)CCO2	792376011	OFAMXEGVSLOERQ-UHFFFAOYSA-N	312.329	1.407	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53	793749106	QDFNJBWBJNXDOW-DIJRRZNFSA-N	300.337	1.453	50	20	DDGD	
Cc1cc(CC(=O)NN=C2CCC[C@@H](c3ccnn3C)C2)n[nH]1	790291627	YGTVZNAGXMEEDU-GFCCVEGCSA-N	314.393	1.824	50	20	DDGD	
NC(=O)C1CCN(C(=O)c2ccccc2NC(=O)CCl)CC1	1319785062	ULFBCFMCDDQTIF-UHFFFAOYSA-N	323.780	1.201	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1O)n1ccnc1	1318035406	WUOSUMLYNYRYBX-MRVPVSSYSA-N	308.725	1.264	50	20	DDGD	
Nc1cnnc(NNC(=O)NCc2cccc(O)c2)c1Cl	1319407005	ZFJFNNUSSJAHJA-UHFFFAOYSA-N	308.729	1.244	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2ccc(OC)cc2)on1	1324192326	WRTBLWHOQNZECO-UHFFFAOYSA-N	303.274	1.234	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)c2cncn2-c2ccccc2)CO1	1326070702	IKJGFDMJIVPRPB-NEPJUHHUSA-N	314.345	1.058	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc2c(nc1O)CCC(C)(C)C2	1329300816	AWMKDYNGYIJCNI-UHFFFAOYSA-N	307.350	1.645	50	20	DDGD	
COc1nc(Cl)c(C=NNC(=O)c2ccc(C#N)cc2)n1C	1324474144	RIZVQTZIWIBJBF-UHFFFAOYSA-N	317.736	1.718	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1CCCCN1Cc1cccnc1	1328187901	WSVUEAHWMHJTFN-OAHLLOKOSA-N	306.410	1.046	50	20	DDGD	
Cc1ncccc1CC(=O)NNc1ccccc1S(C)(=O)=O	1323698191	CHQZRVGIHOQZCV-UHFFFAOYSA-N	319.386	1.479	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NCC2CCOCC2)nn1	1328737011	NOTSKARNIQVHFJ-UHFFFAOYSA-N	307.398	1.827	50	20	DDGD	
CNC[C@@H](C)CNC(=O)NNC(=O)CSc1ccc(C)cc1	1326131596	BDJYYGOJUGXOMF-GFCCVEGCSA-N	324.450	1.273	50	20	DDGD	
Cn1nc(C2CC2)cc1C(=O)NNC(=O)CNc1ccccc1	1334127384	VWIGPGZTFYAPBD-UHFFFAOYSA-N	313.361	1.171	50	20	DDGD	
COCCn1c(C)cc(C=NNC(=O)C2CCOCC2)c1C	1336994488	ATQHIDICEZZBHE-UHFFFAOYSA-N	307.394	1.628	50	20	DDGD	
CN(CC(C)(C)C)C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1334702582	LAJIVJAVQDFEHE-TVQRCGJNSA-N	319.243	1.781	50	20	DDGD	
CSCCCCCCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	1261453594	KJWHMWHXIHKPMR-VXGBXAGGSA-N	317.455	1.665	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1ccc(C(=O)O)n1C	1607340295	OREQGAGXZVZGFV-UHFFFAOYSA-N	315.329	1.425	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2csc3cncn23)c1F	1608936491	WUWRFMJMEQQTBA-UHFFFAOYSA-N	320.305	1.990	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C	1607140636	WBEYLBVUXFOOSU-RBQUTUCGSA-N	322.361	1.896	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)c1ccc(C(=O)O)cc1F	1607887925	XOZIQFQPPVRSIB-UHFFFAOYSA-N	317.276	1.302	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1ccc(CC(F)(F)F)cc1	1608754524	LAFTZKPKOXWIKF-UHFFFAOYSA-N	303.240	1.509	50	20	DDGD	
O=C(CCc1ccccc1C(=O)O)NNC(=O)NCC1CC1	1601290936	MDJGGTWGUNCGGK-UHFFFAOYSA-N	305.334	1.058	50	20	DDGD	
Cn1c(NNC(=O)Cc2ccccc2C(=O)O)nc2ccccc21	1605473203	IMACFUWMESVFEK-UHFFFAOYSA-N	324.340	1.957	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H](C(=O)O)C(C)C)ccc1F	1604376261	QIUMZAABTWXRHF-NSHDSACASA-N	312.297	1.412	50	20	DDGD	
Cc1ccc(C=NNC(=O)NCC(=O)O)c(-c2cnn(C)c2)c1	1600397143	OOUZYVCMSOEXBM-UHFFFAOYSA-N	315.333	1.113	50	20	DDGD	
O=C(O)c1cc(C(=O)NNc2ncnc3ccsc23)on1	1610810066	LKKGKZHEAGNAIL-UHFFFAOYSA-N	305.275	1.134	50	20	DDGD	
O=C(NN=Cc1scnc1C1CC1)[C@H]1CN2CCC[C@@H]2CO1	1549318577	CIMYDDYWTZEVIB-VXGBXAGGSA-N	320.418	1.334	50	20	DDGD	
CCn1cc(CC(=O)NNc2ccc(C(=O)O)cc2F)cn1	1610082455	KKRBNFLCKVJKKO-UHFFFAOYSA-N	306.297	1.426	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c(C(=O)O)c1)c1ccc(Cl)cc1	1610700542	QVSYOZQANMVGJH-UHFFFAOYSA-N	307.693	1.441	50	20	DDGD	
O=C(NN=CCCc1ccc(F)cc1)[C@@H]1CN2CCC[C@@H]2CO1	1549320022	KCVJHXWXSMRTOE-CVEARBPZSA-N	319.380	1.724	50	20	DDGD	
O=C(O)C(=O)NN=Cc1ccc(OCc2ccc(F)cc2)cc1	1610714112	HNLPDZDQRJQBMG-UHFFFAOYSA-N	316.288	1.939	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@@H]1c1nccn1C)[C@H]1CCOC1	1549311314	QMBVKRUPMCRXTG-MJBXVCDLSA-N	320.393	1.416	50	20	DDGD	
O=C(NN=Cc1ccc2c(c1)COC2)[C@H]1CN2CCC[C@@H]2CO1	1549319086	SJYUUUODGOPKCQ-HZPDHXFCSA-N	315.373	1.030	50	20	DDGD	
CC(C)(CC(=O)NNC(=O)C1CCNCC1)CC(F)(F)F	1575297704	IZWLFRIAJFTLLY-UHFFFAOYSA-N	309.332	1.502	50	20	DDGD	
CC(C)CC[C@H](N)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	1575561141	UYKWPHPGUIFHKH-NSHDSACASA-N	322.365	1.332	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@]1(c2ccccc2)CCNC1	1575230913	KCMPFEVKBXNPLQ-MRXNPFEDSA-N	305.378	1.474	50	20	DDGD	
CC1(C)CN[C@H]1C1CCN(S(=O)(=O)CCCCl)CC1	1576469632	QRTUIQNQBNLNJZ-LBPRGKRZSA-N	308.875	1.655	50	20	DDGD	
N[C@@H](C(=O)NNC(=O)CNc1ccccc1)C1CCCCCC1	1580115575	ZZCXGNYRQPNOQJ-MRXNPFEDSA-N	318.421	1.544	50	20	DDGD	
O=C([C@H](F)Cl)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCCCO1	1847313550	BHRZKMYLYDYQBU-YFKTTZPYSA-N	318.776	1.292	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NNc1ccc(C(=O)O)cc1F	1589814813	INTRNCLDABIEJB-GFCCVEGCSA-N	309.341	1.840	50	20	DDGD	
Cn1nc(C2CC2)nc1/C(C#N)=C/c1ccc(-c2nn[nH]n2)s1	1592595795	GQJWPZBGWPXCIR-RMKNXTFCSA-N	324.373	1.998	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H](C)OC)C2	1841670604	INULDSHLVBAOCE-RYUDHWBXSA-N	316.829	1.632	50	20	DDGD	
CN(CCNC(=O)CCCC[C@H]1CCSS1)CC(=O)O	1598490799	JIDJCWLCXXSNRE-NSHDSACASA-N	320.480	1.833	50	20	DDGD	
O=C(NN=C1CCCSCC1)c1cccc(-c2nn[nH]n2)c1	1593155698	XMKXTTFJQRGQCE-UHFFFAOYSA-N	316.390	1.870	50	20	DDGD	
C[C@H]1CC(=NNC(=O)COc2ccccc2-c2nn[nH]n2)[C@H]1C	1590181239	NCJIZKRMHUXAHW-UWVGGRQHSA-N	314.349	1.394	50	20	DDGD	
O=C(Cn1cc(C2CC2)cn1)NNc1cccc(-c2nn[nH]n2)c1	1592936760	AUMZXLHECMBUKC-UHFFFAOYSA-N	324.348	1.084	50	20	DDGD	
C[C@@H]1CCN(C(=O)/C(C#N)=C/c2cnn(C)c2)[C@@H](C(=O)O)C1	1594396664	ZWPVOLISNVIKBF-OAKNEQJESA-N	302.334	1.039	50	20	DDGD	
CCO[C@@H](C(=O)NNc1cccc(C(=O)O)c1C)[C@H]1CCOC1	1596762439	RVAANACNMIMZLH-SMDDNHRTSA-N	322.361	1.578	50	20	DDGD	
O=C(NN=C1CCc2cccc(C(=O)O)c21)c1cccc(F)n1	1776093732	HSESQFFHKBMHCD-UHFFFAOYSA-N	313.288	1.999	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl)[C@H]1CC1(F)F	1796808391	BVGZJHCSBCMWGC-ZOZBQHSOSA-N	324.730	1.814	50	20	DDGD	
C#CCOCCC(=O)NNC(=O)c1cc(-c2ccccc2)on1	161192911	VVAXBQFWQQKWGC-UHFFFAOYSA-N	313.313	1.143	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)c1cc(Cl)ccc1O	161725507	ONYQIFNTDRGRED-QMMMGPOBSA-N	300.742	1.622	50	20	DDGD	
O=C(Cn1nc2ccccn2c1=O)NNc1ccccc1Cl	158332537	FRKGMCDRQSSKLH-UHFFFAOYSA-N	317.736	1.293	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(F)c2)[nH]n1	153084734	DHALUWGLLYUJSG-SECBINFHSA-N	306.297	1.086	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2cccc(Cl)c2C)[nH]n1	153151087	LBZGSBJZHVBOAT-UHFFFAOYSA-N	322.752	1.520	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)NNc2ncnc3nc[nH]c23)c1C	156291406	NYEUFDCXCAHPRN-UHFFFAOYSA-N	313.321	1.257	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc(N(C)C)cc1F)C1CC1	154112104	FUYMFMNIRYNBJE-VIFPVBQESA-N	324.425	1.799	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cc(C)nn2C)n1	155818433	HANMCBJHNBFZBG-UHFFFAOYSA-N	303.370	1.122	50	20	DDGD	
CCCC(=O)N1CCCC[C@@H]1C(=O)NNc1ccc(OC)cn1	159154415	WUSCYCZWLYPYNW-CYBMUJFWSA-N	320.393	1.715	50	20	DDGD	
CN(CC(=O)N1CCCC1)C[C@H](CBr)C1CC1	859050569	MWWNMQSUXHRPEH-LBPRGKRZSA-N	303.244	1.962	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	8094113	MKRKXNBVBOQGGH-UHFFFAOYSA-N	321.377	1.671	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCC1CCCC1	56664062	YWQUAOHZHWHUCG-UHFFFAOYSA-N	305.378	1.758	50	20	DDGD	
CCCOc1ccc(CNC(=O)NNC(=O)c2ccc[nH]2)cn1	107856538	BTUNBZYWNXNOHE-UHFFFAOYSA-N	317.349	1.343	50	20	DDGD	
O=C(NCC[S@@](=O)Cc1ccccc1)NNc1ccccn1	116965239	OZGBGPOCKOKRGS-QFIPXVFZSA-N	318.402	1.657	50	20	DDGD	
CC(C)NC(=O)CN(C)/C(=C/C#N)c1ccc([N+](=O)[O-])cc1	176989111	KFLGMJJSRPNUDW-RIYZIHGNSA-N	302.334	1.916	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Cc1cn(C)c2ccccc12	109858688	LQWLMKKLCWGEHS-UHFFFAOYSA-N	311.345	1.214	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Cc1n[nH]c2ccccc12	109145144	PCJPVJVWYMSNAK-UHFFFAOYSA-N	324.340	1.575	50	20	DDGD	
COc1ccc([C@@H](C)CC(=O)NNC(=O)c2ccc[nH]2)cc1	175059287	DMHDOPMNRJIPQY-NSHDSACASA-N	301.346	1.978	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(=O)[nH]c2ccccc12	64882268	OLGQBMRIDBWCPQ-UHFFFAOYSA-N	302.334	1.272	50	20	DDGD	
Cn1cnc(C(=O)NNC(=O)Cc2cccc3ccccc23)c1	179398148	HVWRIQKJQBRLCY-UHFFFAOYSA-N	308.341	1.577	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(OC(F)(F)F)cc1)n1cncn1	178036095	YTTKVPFZYFMAFB-QMMMGPOBSA-N	315.255	1.881	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1nccnc1Cl)N1CCCC1=O	114895540	PCXMLKBTVLCSJZ-SNVBAGLBSA-N	311.773	1.220	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCC(=O)N1CCCC1	114180381	ZQLGGCAASLMTRT-UHFFFAOYSA-N	312.801	1.091	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C2[C@@H]3CCC[C@@H]23)cc1	178096406	AQXRDGOPYKZFSN-CHWSQXEVSA-N	303.362	1.301	50	20	DDGD	
Cc1ccc(C(=O)C(=O)NNC(=O)c2ccccc2F)cc1	21677673	OUAVXHHLNJIVDH-UHFFFAOYSA-N	300.289	1.778	50	20	DDGD	
O=C(NNC(=O)c1ccc(Br)cn1)c1cccnc1	171348693	OVSMMBJZGBJBBZ-UHFFFAOYSA-N	321.134	1.314	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)Cc1cccc(O)c1	60201200	SFIZUMSLRFZKAW-UHFFFAOYSA-N	302.305	1.464	50	20	DDGD	
CCN(CC)CCNC(=O)NNC(=O)c1cc2ccccc2o1	175489533	OWTAOJQUSMZONY-UHFFFAOYSA-N	318.377	1.719	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cnc(Cc2ccc(F)cc2)s1	171402736	UOUNTZBOTLUKLT-UHFFFAOYSA-N	322.365	1.789	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccc(N2CCCC2)nc1	176950153	ATSPNAWZIKGJPU-UVTDQMKNSA-N	301.346	1.778	50	20	DDGD	
OC[C@H]1CN(CCI)CCC1(F)F	306544695	YTWVSQCDSMGTIW-SSDOTTSWSA-N	305.106	1.371	50	20	DDGD	
COCc1cccc(CC(=O)NNc2nccnc2OC)c1	188782703	FPLYCBSTIGJAAG-UHFFFAOYSA-N	302.334	1.317	50	20	DDGD	
O=C(CC(=O)NNc1ccccc1Cl)NCC(F)(F)F	182144951	GBUYOTXQUVHGPY-UHFFFAOYSA-N	309.675	1.852	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCCCC(N)=O)c1C	75910927	ITXNSWQSNGXLPR-GDNBJRDFSA-N	316.405	1.804	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1ccc2nccn2c1	78193103	HHYJJTDKZLBQMU-UHFFFAOYSA-N	324.340	1.312	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccnc2ccccc12	124673187	HZSZFCGZLXPZAO-UHFFFAOYSA-N	312.251	1.741	50	20	DDGD	
Cc1cnc(NC(=O)C(=O)NNc2ccc([N+](=O)[O-])cc2)s1	124205528	KTZHZABPALFZNS-UHFFFAOYSA-N	321.318	1.442	50	20	DDGD	
COc1cccc(NNC(=O)NCc2cccc(CO)c2)n1	181495642	SCSGXZPKZPSHFU-UHFFFAOYSA-N	302.334	1.409	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H]2CCn3cncc3C2)cc1	135915966	ZDMYFFDNGNMVEN-AWEZNQCLSA-N	312.373	1.469	50	20	DDGD	
Cc1c([C@@H](C)NC(=O)NNc2ccc(Cl)nn2)cnn1C	194254709	MATULAWDRIROTB-SSDOTTSWSA-N	309.761	1.559	50	20	DDGD	
Cc1nsc(N2CCN(C[C@H](C)CBr)CC2)n1	134000383	MJFRLECCVWOSFL-SECBINFHSA-N	319.272	2.000	50	20	DDGD	
CC(C)CN1N=C(C(=O)NNc2ccc(C#N)cc2)CCC1=O	135000463	XXEUVHLWIXXVRL-UHFFFAOYSA-N	313.361	1.636	50	20	DDGD	
CC(C)n1cc(C(=O)NNC(=O)Cc2ccccc2F)cn1	191448108	YNKCTVBRVJKVQS-UHFFFAOYSA-N	304.325	1.607	50	20	DDGD	
CC1CCN(CC(=O)NNC(=O)CCCc2ccccc2)CC1	135900190	CPZRMEAJBHVVES-UHFFFAOYSA-N	317.433	1.889	50	20	DDGD	
Cc1cc(C)nc(NC(=O)C(=O)NNc2ccc(F)cc2)c1	193778714	MZBHQPWPBAMTEJ-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21	130092457	QPLCMEUDHCIFGZ-VHDGCEQUSA-N	303.362	1.082	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(-c2ccccc2)nn1)S(C)(=O)=O	85655426	NFNKJNMKRPSGLJ-JTQLQIEISA-N	320.374	1.020	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNc2cc(C)ccn2)cc1	190036478	ROFIKQHOOSECSU-UHFFFAOYSA-N	314.345	1.871	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1c(C(C)C)nn(C)c1Cl	193338766	ZTHNSCGPJQYKHN-JXMROGBWSA-N	310.785	1.866	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cc1noc2ccccc12)C1CC1	83678498	MDNODRVEDMFFSJ-SECBINFHSA-N	318.402	1.664	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCN1Cc1ccccc1)NC1CC1	266839331	MDVGKJFWBPGVDC-OAHLLOKOSA-N	316.405	1.534	50	20	DDGD	
CCC1(C(=O)NNC(=O)COc2ccccc2O)CCCC1	268210901	VLNFTUUZMRFJDA-UHFFFAOYSA-N	306.362	1.889	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N(C)CCOCC1CC1	268009989	ZAPHBEMXWWRXFJ-UHFFFAOYSA-N	305.378	1.708	50	20	DDGD	
C[C@@H](NC(=O)C1CCCC1)C(=O)NNc1nccnc1Cl	265216566	WKJGFYLKFWSFBM-MRVPVSSYSA-N	311.773	1.268	50	20	DDGD	
CCC1(CNC(=O)NNc2nc(C)cc(OC)n2)CCOCC1	266973681	PSLPVIBAVVBBNZ-UHFFFAOYSA-N	323.397	1.627	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cncc(C)c2)n1	268551800	BFKDGSNXBIAQQA-UHFFFAOYSA-N	300.366	1.783	50	20	DDGD	
Cc1noc(-c2ccccc2C(=O)NNC(=O)NC2CC2)n1	266042522	GVGSQYFIRMROSI-UHFFFAOYSA-N	301.306	1.151	50	20	DDGD	
COC(=O)c1cn([C@@H]2CCN(/C(=C/C#N)c3ccccc3)C2)nn1	363891949	BFDUAOVATKUENT-OUAKBRRNSA-N	323.356	1.876	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(C)cc1Cl	276252495	RFCWTTUXZWJLTE-UHFFFAOYSA-N	312.757	1.279	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NNc1ccc(C(N)=O)nn1	274410022	VEJFPPHHYPEVJD-ZYHUDNBSSA-N	321.381	1.004	50	20	DDGD	
CC(C)CSCCNC(=O)NNC(=O)c1ccc(C#N)cc1	270212014	LNGFKNBTMNDJFM-UHFFFAOYSA-N	320.418	1.891	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnn(CC(C)C)c1C1CC1	272691433	QLVBWEGYZCDFRN-UHFFFAOYSA-N	307.398	1.723	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccnc(Cl)c1	276493131	AXJYXQGNUDNQRJ-UHFFFAOYSA-N	315.757	1.285	50	20	DDGD	
O=C(CC1OCCCO1)NNc1nc(C(F)(F)F)cs1	282481433	MFZWAJYJLSHBBN-UHFFFAOYSA-N	311.285	1.758	50	20	DDGD	
CCOCCCCNC(=O)NNc1ccc(-n2ccnc2)nn1	286676204	YIROYNSHOLHNSJ-UHFFFAOYSA-N	319.369	1.105	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1cnc2n1CCCC2	375178934	HGSDBCLFFHVRAL-UHFFFAOYSA-N	307.398	1.486	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1[nH]c(C)c(C(C)=O)c1CC	281319487	SRFKDPXJWFYGSQ-UHFFFAOYSA-N	308.407	1.383	50	20	DDGD	
CCc1csc(CC(=O)NNC(=O)Cc2cccnc2)n1	283177363	LEXPHEQVBJQCOU-UHFFFAOYSA-N	304.375	1.033	50	20	DDGD	
COC(=O)N(C)NC(=O)Cc1cc(Br)ccc1F	286473913	UTAAEECLMKDTLX-UHFFFAOYSA-N	319.130	1.860	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cccc(C(C)=O)c1	285268954	ONHCOMVXRBAVGJ-UHFFFAOYSA-N	312.416	1.955	50	20	DDGD	
Cc1cccc(CCNC(=O)NNC(=O)c2cccc(C)n2)n1	280012089	UOLRFYDIEXEVLZ-UHFFFAOYSA-N	313.361	1.280	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)Nc2ccc(Cl)cc2)CN1	802021687	VRINVZDECVTBSD-QMMMGPOBSA-N	310.741	1.019	50	20	DDGD	
O=C(CN1CCC[C@H]1C1CCC1)NNC(=O)c1ccc(F)cc1	298063452	IZPPMNCPDNNWPE-HNNXBMFYSA-N	319.380	1.851	50	20	DDGD	
CN(C)C1(CNC(=O)NNc2ncncc2F)CCCCCC1	292531598	VUOMHIAIHDZAFL-UHFFFAOYSA-N	324.404	1.896	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2occc2C)cc1	801109817	DPFAKUQVAPYXII-UHFFFAOYSA-N	301.302	1.296	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C1(F)CCCCC1	809933863	XWHGFFDOGFHFBC-UHFFFAOYSA-N	324.352	1.894	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)C=C1CCC1	294673310	OXSQMKJPIGUFLN-UHFFFAOYSA-N	309.391	1.490	50	20	DDGD	
Cc1nccn1CCCCNC(=O)NNc1ncc(F)cc1F	297340135	SMIDBUVVTWQUGQ-UHFFFAOYSA-N	324.335	1.971	50	20	DDGD	
CCC(CC)(CCO)NCC(=O)NNC(=O)c1cccc(C)c1	801586998	HZRXECZZSAIHGL-UHFFFAOYSA-N	321.421	1.287	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1coc(-c2ccccc2)n1	295682722	YFTSDFYAMMEHHH-ZDUSSCGKSA-N	315.329	1.672	50	20	DDGD	
CC(C)N1CC[C@H](NC(=O)NNc2cccc(Cl)n2)C1=O	292794850	VBKOVDLREDCSGY-VIFPVBQESA-N	311.773	1.370	50	20	DDGD	
CSCCONC(=O)NNC(=O)Nc1ccc(Cl)cc1	296886598	MMMRMRNLFWRCSO-UHFFFAOYSA-N	318.786	1.970	50	20	DDGD	
C[C@H]1C[C@H](CCNS(=O)(=O)CBr)C[C@@H](C)O1	801704375	KHHKUWVVLZSPPO-ILWJIGKKSA-N	314.245	1.852	50	20	DDGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2cnn(C)n2)c1C	806864660	QRQVNWDAFODUTE-UHFFFAOYSA-N	324.348	1.041	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)CCc2cscn2)c1	299712275	UIGHDGAUHAKYID-UHFFFAOYSA-N	318.402	1.603	50	20	DDGD	
Cc1nnc(COCC(=O)NNc2cccc(Cl)n2)s1	293778194	VWYGBQSKWFQGDB-UHFFFAOYSA-N	313.770	1.555	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12	298359350	MYZPYZVQWDQLKU-UHFFFAOYSA-N	305.294	1.278	50	20	DDGD	
C[C@@H]1Sc2ccc(C(=O)NNC(=O)C(C)(C)C)cc2NC1=O	298797164	HFPNRIMNTWXHQL-QMMMGPOBSA-N	321.402	1.926	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1ccc2c(c1)CCCC2	802025279	ZEUICJBQHRXJFX-UHFFFAOYSA-N	310.357	1.849	50	20	DDGD	
CC1(C)[C@H]2CC[C@@]1(C(=O)NNC(=O)c1ccccc1O)C(=O)C2	295225366	RHJHGIAZUQFDGE-BTDLBPIBSA-N	316.357	1.549	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccc(N2CCOCC2)cc1	293946391	ISCLJBJGKKPTFU-UHFFFAOYSA-N	317.324	1.209	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc(-n2cccn2)cc1	295381275	KQMFPYCHFOGPKF-CQSZACIVSA-N	314.345	1.202	50	20	DDGD	
C[C@@H]1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)[C@H](C)C1	299296975	OEMZLFQWNACRSY-VXGBXAGGSA-N	307.369	1.707	50	20	DDGD	
C=C(CBr)CN1C[C@H](CC)S(=O)(=O)[C@H](C)C1	805773226	OTNCNKXENBFESJ-MNOVXSKESA-N	310.257	1.835	50	20	DDGD	
Cc1nn(C)c(N)c1C=NNC(=O)CCc1ccccc1O	814840207	GEMBKHSXWUYHDP-UHFFFAOYSA-N	301.350	1.099	50	20	DDGD	
CC(F)(F)C(=O)NNC(=O)c1cccc(Br)c1	815713404	RLUGZWXOWPVLLU-UHFFFAOYSA-N	307.094	1.865	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNc1nc2ccccc2c(=O)n1C	812510223	YKPGWHJCLXRUAT-WDEREUQCSA-N	318.377	1.295	50	20	DDGD	
Cc1ccccc1CC(=O)NN=C1CCCc2nc(N)ncc21	814873455	CBQHUMMZWGCRTG-UHFFFAOYSA-N	309.373	1.767	50	20	DDGD	
Cn1cc(C(=O)NN=C2CCS(=O)(=O)CC2)c2ccccc21	814777032	KHXHRDLWHHISAU-UHFFFAOYSA-N	319.386	1.473	50	20	DDGD	
COc1cnc(C(=O)NNc2ccc(C#N)c(Cl)c2)nc1	816083767	BVMQRJLZKXIEJI-UHFFFAOYSA-N	303.709	1.767	50	20	DDGD	
COc1cccc([S@@](=O)CC(=O)NCC(Cl)Cl)c1	819533767	OMKGMUYYGNPEMM-SFHVURJKSA-N	310.202	1.723	50	20	DDGD	
O=C(COCc1ccccc1)NN=Cc1cc(CO)ccc1O	814854515	ZKLOWHCBGQUCKJ-UHFFFAOYSA-N	314.341	1.551	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)COc1ccc(F)cc1	812529521	AWVGOJBZBUOSQW-QWRGUYRKSA-N	312.341	1.271	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2oc(C(C)C)nc2C#N)CCC1	729968318	OANFVXJKIKSAKV-UHFFFAOYSA-N	305.338	1.029	50	20	DDGD	
CC(C)(O)CN1CCC(=NNC(=O)Cc2ccc(F)cc2)CC1	814215964	XTLCTBQLHNRZBI-UHFFFAOYSA-N	321.396	1.707	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cccc(F)c1C	817538965	LZRZKLVIWTXZCZ-UHFFFAOYSA-N	309.341	1.200	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1ccc2nc(O)[nH]c2n1	817009938	FFXDLNVFRQNTLW-UHFFFAOYSA-N	304.697	1.469	50	20	DDGD	
COC(=O)CNC(=O)NN=C1Cc2[nH]c3ccccc3c2C1	814901073	WXJSQSTXOCWIPA-UHFFFAOYSA-N	300.318	1.095	50	20	DDGD	
Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NNC(=O)NCC1CC1	817525894	VWHZCLJWPRAXPV-UHFFFAOYSA-N	306.322	1.566	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2cccc(C#N)c2)CC(C)(C)O1	728952729	BGUMBQUHDGAFRZ-LLVKDONJSA-N	316.361	1.412	50	20	DDGD	
NNC(=O)c1sccc1S(=O)(=O)NC1CCCCCC1	825645372	ZDWGRPJFVLUTER-UHFFFAOYSA-N	317.436	1.353	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C	823852571	JTYHRRNPOYPGRF-LBPRGKRZSA-N	315.414	1.121	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1c(Cl)cc(F)cc1Cl	496321971	GYWCKBGGASBLOO-UHFFFAOYSA-N	317.125	1.682	50	20	DDGD	
CN(NC(=O)[C@H]1CC(c2cccnc2)=NO1)C(=O)OC(C)(C)C	496681929	RUZWDOATBUIXOU-GFCCVEGCSA-N	320.349	1.473	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCC[C@@H](OCC3CC3)C2)cn1	491079608	AUVQKNCJWYHDBX-NXADEVLQSA-N	314.389	1.745	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cc2ccccc2o1	728436951	KOIHBOOYGKNTNT-SNVBAGLBSA-N	323.374	1.211	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1oc2ccccc2c1CN(C)C	823959970	TUHWOPJPTSTLNA-NSHDSACASA-N	305.378	1.452	50	20	DDGD	
N[C@@H](CC(=O)NNc1nc(-c2ccc(Cl)cc2)no1)C1CC1	829523611	ZDXYUPFHYDIEGD-NSHDSACASA-N	321.768	1.961	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NN=Cc1cc(C#N)cs1	494951608	KDRMLFZCINGZDU-UHFFFAOYSA-N	322.390	1.985	50	20	DDGD	
CC1(C)C[C@]1(C(=O)NNC(=O)N1CCOCC1)c1ccccc1	824620828	AUODJQNSYNLPOK-QGZVFWFLSA-N	317.389	1.427	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CSc1nc2ccccc2s1	823988807	XEMWOQXMOONKSE-VIFPVBQESA-N	311.432	1.732	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NN=Cc1ccccn1	494022357	DABVHXSRRWQJSV-UHFFFAOYSA-N	306.366	1.837	50	20	DDGD	
C[C@@H](C(=O)NN(C)C(=O)OC(C)(C)C)N(C)CC(F)(F)F	496393810	UDBPQEUOGHHBEM-QMMMGPOBSA-N	313.320	1.767	50	20	DDGD	
CC(C)(C)n1ncc2c(O)nc(NNC(=O)CCCF)nc21	827244359	VVLLPLGOQRSIGV-UHFFFAOYSA-N	310.333	1.480	50	20	DDGD	
COC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)CC(C)(C)C	496084262	UOFDSCXGEKLRLO-JTQLQIEISA-N	301.387	1.341	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC(OC[C@H]2CCOC2)CC1	490842022	KCOZXKIEZGYITQ-BSHRGCEOSA-N	308.378	1.474	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ncoc2C(F)(F)F)n1	829487866	LJYCPBULEDRLFQ-UHFFFAOYSA-N	317.227	1.557	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1cc2n(n1)CCCC2	823971009	LMETUVUWWDUNAS-UHFFFAOYSA-N	313.361	1.093	50	20	DDGD	
O=C(NN=Cc1ccc(-c2nn[nH]n2)s1)c1ccccc1F	823273362	KRWCEGOCSFBVOZ-UHFFFAOYSA-N	316.321	1.831	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)C(C)(C)C	494452355	JXUAQNOUIRMFRW-VIFPVBQESA-N	301.387	1.341	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2ccc(-c3nn[nH]n3)cn2)c1	822240186	WENKLLVQGOPSGM-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
CC(C)[C@H]1C[C@H](C(=O)NNC(=S)NCC2CCC2)CCO1	824437665	XYTIEKVUJXDDRE-CHWSQXEVSA-N	313.467	1.733	50	20	DDGD	
CC[C@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)N(CC)CC	825038491	DALVKHDBXWHAFF-CYBMUJFWSA-N	317.397	1.430	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1CC(=O)N(c2ccccc2F)C1	491044780	DAWCRUQXVHAWSX-HCRIHEDKSA-N	317.320	1.491	50	20	DDGD	
CO[C@]1(C)CC(=NNC(=O)CNC(=O)OC(C)(C)C)C1(C)C	494539563	OPXQJLPGFSUAAV-OAHLLOKOSA-N	313.398	1.818	50	20	DDGD	
CO[C@@H](c1ccccc1F)[C@@H](C)NCc1ccccc1B(O)O	585033051	WBRUPGATVHWDDG-SJKOYZFVSA-N	317.169	1.371	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(Cl)ccc1OC(F)F	823865866	ZZONWKRMIFPECS-UHFFFAOYSA-N	308.712	1.900	50	20	DDGD	
CC(C)n1nccc1C=NNC(=O)CCNC(=O)OC(C)(C)C	492458844	SFIMEELWWNQFDD-UHFFFAOYSA-N	323.397	1.829	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNc1ncc(Br)cn1	491513044	AAACYPYLSOJYEH-SECBINFHSA-N	312.171	1.667	50	20	DDGD	
CC/C=C(\C)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	494337737	ZLBRRTYGOANRSI-DHZHZOJOSA-N	313.398	1.795	50	20	DDGD	
COC(=O)C[C@@H](C)S[C@@H](C)C(=O)NNC(=O)CC(C)C	734983373	STCHIQOHCRJZJS-ZJUUUORDSA-N	304.412	1.253	50	20	DDGD	
O=C(NC1(Cc2ccccc2)CCCC1)c1ccc(B(O)O)cc1	584976253	QAKYMUMIKDBTKW-UHFFFAOYSA-N	323.201	1.652	50	20	DDGD	
CC(C)COc1ncccc1C(=O)NNC(=O)[C@@H]1CCCCO1	833250272	DXKONPNTWQTNFO-ZDUSSCGKSA-N	321.377	1.447	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2ccc(C)c(C)n2)n1	838752456	HNWTVRIEAISGPN-UHFFFAOYSA-N	300.366	1.932	50	20	DDGD	
CC(C)C(NCC(=O)NNC(=O)c1ccc(F)cc1)C(C)C	839545069	PILKTCASWFGVMB-UHFFFAOYSA-N	309.385	1.857	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCCn2cccn2)c(F)c1	837209159	GZRITLLZRCBTLY-UHFFFAOYSA-N	320.324	1.732	50	20	DDGD	
COCC1(CCNC(=O)NNc2nc(C)cc(OC)n2)CCC1	836476358	ASDSQFCARSRGID-UHFFFAOYSA-N	323.397	1.627	50	20	DDGD	
O=C(CCCc1c[nH]c2ccccc12)N1CC[C@@H](B(O)O)C1	585067085	VAKKUBNEZQZPTQ-CYBMUJFWSA-N	300.167	1.566	50	20	DDGD	
CC[C@H](CNC(=O)NNc1cccc(C(=O)OC)c1F)OC	838597680	NQRBQFSYXNVVBT-SECBINFHSA-N	313.329	1.663	50	20	DDGD	
C[C@H](CC(=O)N1CC[C@@H](B(O)O)C1)Cc1ccc(Cl)cc1	585064745	JCNDNGKROVFKDZ-WCQYABFASA-N	309.602	1.984	50	20	DDGD	
Cc1nnc(NNC(=O)Cc2c[nH]c3ccc(F)cc23)nc1O	734543051	NBSXJOKUQMTGKW-UHFFFAOYSA-N	316.296	1.192	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12	837624333	ZKSSYMZGQXEWPN-DBWOOVFOSA-N	321.421	1.711	50	20	DDGD	
CC[C@H](C)[C@@H](CNC(=O)NNC(=O)Cc1ccccc1C)OC	836546303	GUYMWZQQFJJVPN-SWLSCSKDSA-N	321.421	1.929	50	20	DDGD	
Cc1cccc(N2C[C@H](C(=O)NN(C)C[C@H](C)O)CC2=O)c1C	910176150	YWOGLPWJTJDJMF-GXTWGEPZSA-N	319.405	1.000	50	20	DDGD	
CCc1n[nH]cc1C(=O)NNC(=O)c1cccc(N(C)C)c1	917933354	IVACPTRMRYZJMG-UHFFFAOYSA-N	301.350	1.113	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)CC(C)(C)C	917625352	OYODUFLUEFMLCH-WDEREUQCSA-N	318.439	1.031	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1ccc(O)c(O)c1O	916364151	DQEPIXOMKFBSTK-NSHDSACASA-N	321.377	1.376	50	20	DDGD	
CC[C@H](NC(=O)NNc1ccc(Cl)nn1)C1CCOCC1	746425701	IDMDSOADSZTURI-JTQLQIEISA-N	313.789	1.961	50	20	DDGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1nc[nH]n1	746160937	NCIGFLARBQLABB-UHFFFAOYSA-N	300.105	1.186	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1cc(C)cc(C#N)c1	836774023	PJORWRLNAMNLAX-NSHDSACASA-N	320.349	1.071	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)c1cn(C)nc1C	743443529	IDPZQYBLSKTXJJ-UHFFFAOYSA-N	315.333	1.972	50	20	DDGD	
C[C@@H]1NC(=O)[C@H](C)N(C(=O)[C@H](Br)C(C)(C)C)[C@H]1C	911793963	GKZVAMRZCSVRGM-XKNYDFJKSA-N	319.243	1.920	50	20	DDGD	
COc1cc(C=NNC(=O)c2cnccn2)ccc1SC	746489906	KOQLGOQIAPGPBK-UHFFFAOYSA-N	302.359	1.971	50	20	DDGD	
CCCNC(=S)NNC(=O)[C@H](C)CN1CCCCCC1	747726409	UFQIYOYZPKFQET-GFCCVEGCSA-N	300.472	1.404	50	20	DDGD	
CC[C@H](C)Oc1ccc(NC(=O)NNC(=O)CCCN)cc1	841076193	BSWCPLWXCASJTE-NSHDSACASA-N	308.382	1.756	50	20	DDGD	
CCOC(=O)Cc1cnc(N/C=C(/C#N)C(=O)OCC)s1	840729380	NZDIWRBTEPEYFR-CLFYSBASSA-N	309.347	1.631	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@H](O)c1ccccc1C(F)(F)F	910183103	KZQOZNYXJAARQG-LDYMZIIASA-N	306.284	1.083	50	20	DDGD	
C[C@]1(C(=O)NNc2ncc(Br)cn2)CCCOC1	848322351	YBTVXWSKCQTECV-NSHDSACASA-N	315.171	1.499	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@@H]1CCc2c[nH]nc2C1	742607992	PQYOBDONDPJEJA-CYBMUJFWSA-N	312.373	1.295	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(-c2ccccc2)[nH]1	843652295	RVCARXDZELITMP-AAEUAGOBSA-N	313.357	1.868	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)c1cc(C2CC2)[nH]n1	848319652	AKZXSIZOAMQSRS-UHFFFAOYSA-N	323.154	1.597	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)CC(F)(F)F	916160062	DDOQPHDLWZRQTK-UHFFFAOYSA-N	305.256	1.207	50	20	DDGD	
O=C(COCCc1ccccc1)NNC(=O)NC1CCCCC1	746820277	YGTQCZJFLCPDIU-UHFFFAOYSA-N	319.405	1.909	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2ccc(O)c(O)c2O)c(O)c1	917556540	ZMTCKWKUJDDYCA-UHFFFAOYSA-N	302.286	1.581	50	20	DDGD	
CN(C)CC1(O)CCN(C(=O)[C@@]2(C)C[C@@H]2Br)CC1	913677321	KIGYDYYKKATGLV-JQWIXIFHSA-N	319.243	1.075	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1ccc(N(C)C)cc1	916361520	BYSHDXGKXZZWNB-AWEZNQCLSA-N	318.421	1.171	50	20	DDGD	
O=C(NC[C@@H]1CNCCCO1)NNc1cc(F)c(F)c(F)c1	842007906	WCXKTZDDBCFLEK-VIFPVBQESA-N	318.299	1.109	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H](C)Cc1cnc[nH]1	847661232	NJMJNHHLNWCSDP-SNVBAGLBSA-N	302.334	1.518	50	20	DDGD	
CC(=O)Nc1ccc(O)c(C(C)=NNC(=O)c2cccnc2)c1	915936431	WUCVNZXYRFKIFT-UHFFFAOYSA-N	312.329	1.900	50	20	DDGD	
COCCN(C)NC(=O)C(=O)c1ccc(Br)s1	840452490	HVKQNNAPLMWBCM-UHFFFAOYSA-N	321.196	1.303	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCC[C@H](C)[C@@H]2C)cc1	741790116	CMRMNSLHLFBXFE-KBPBESRZSA-N	303.406	1.876	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc(CCCl)cc1	917745032	LAUAJQIOBGBLKV-SNVBAGLBSA-N	318.826	1.824	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](CC(=O)OC)c1cccs1	746510830	UYQQEFQGCUBWKB-USKTWTLRSA-N	308.359	1.912	50	20	DDGD	
C[C@H]1CN(C)CC1=NNC(=O)CSc1ccccc1[N+](=O)[O-]	842567439	YBPSOSXNTVOKLO-JTQLQIEISA-N	322.390	1.741	50	20	DDGD	
NCCC[C@@H](NC(=O)NNc1cccnn1)c1ccccc1	841995393	HMVYEXSDOZMTAK-CYBMUJFWSA-N	300.366	1.583	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)Cn2nnc3c2CCCC3)n1	848227820	MOAMLPZIDWPTLO-UHFFFAOYSA-N	321.772	1.052	50	20	DDGD	
CCNCCCNC(=O)NNc1ccc(F)c(C(=O)OC)c1	841917986	YNNNIZIHPVMYQI-UHFFFAOYSA-N	312.345	1.238	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H]2CCN[C@H](C)C2)cc1F	841990062	XXSHVLJBQTWKST-NXEZZACHSA-N	324.356	1.379	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(Cl)cc(Cl)n1	843663053	VBZBIQXIXWCYIQ-POYBYMJQSA-N	318.160	1.574	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](C)Cc1ccc(C#N)cc1	848224495	CBTLFKHEFKURSV-LLVKDONJSA-N	311.345	1.679	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)c1cccc2cccnc12	747424219	OWYSUISZQJPLLS-LBPRGKRZSA-N	313.357	1.977	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cc(Cl)nc(C2CC2)c1	847402524	GZUKXKBXCMDZBV-UHFFFAOYSA-N	324.768	1.299	50	20	DDGD	
CCC(CC)(CO)C(=O)NNC(=O)CCOc1ccccc1	847407684	ZOTFCQDUAGGDMC-UHFFFAOYSA-N	308.378	1.402	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H](C)C(=O)OC(C)(C)C)nc1	848668311	PNCROXJCWDZNFF-LLVKDONJSA-N	308.382	1.994	50	20	DDGD	
CO[C@H](C=NNC(=O)[C@H](C)Oc1ccccc1F)[C@@H]1CCOC1	841613353	WOXTZSPXCLILFI-YWPYICTPSA-N	324.352	1.747	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CC[C@@]2(C)CCC(=O)N2)n1	753422760	LQWLJPPHYBVUNH-CYBMUJFWSA-N	311.773	1.330	50	20	DDGD	
C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)c1cccn1C	757874584	OTGOSGNRTIGDFV-JTQLQIEISA-N	321.764	1.907	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1conc1C(F)(F)F	855089727	DBNKFNSNOZODHQ-UHFFFAOYSA-N	322.312	1.602	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)[nH]1	755260224	WWQCQQWDSNHJIP-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)OCC(F)(F)F)c(F)c1	856022309	YFAWTFWECFJRAR-UHFFFAOYSA-N	323.246	1.825	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@]2(O)CCSC2)C[C@H]1Br	856956856	VZQFKMPVXTZRGA-FBIMIBRVSA-N	323.256	1.327	50	20	DDGD	
Cc1cnn(C)c1S(=O)(=O)NC[C@]1(C)C[C@@H]1Br	856753531	SZJRQDIXBHXIKZ-WPRPVWTQSA-N	322.228	1.180	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cccnc1Oc1ccccc1	755877583	CYXQMCGZVBLMBB-UHFFFAOYSA-N	316.317	1.673	50	20	DDGD	
Cc1noc(C)c1C(C)(C)C(=O)NNC(=S)N[C@H](C)C1CC1	855096873	FJOSAHKXHWHKGC-MRVPVSSYSA-N	324.450	1.863	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H]1C[C@H]1c1cncn1C	854457865	RVUCIETUQLHWRS-VXGBXAGGSA-N	315.333	1.884	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN[C@@H](C)[C@@H]2CCCOC2)cc1	754568416	UUNDFKZLLJRXGV-DZGCQCFKSA-N	319.405	1.161	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1cc(O)cc(O)c1	753706778	BSZMDSADKGIMHX-UHFFFAOYSA-N	307.350	1.243	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1ccc([N+](=O)[O-])cc1F)C(C)C	855621059	GCXWKCSKGRUESY-GFCCVEGCSA-N	312.301	1.338	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cccc2cc[nH]c12	854282269	HIURZDGONUQNRW-UHFFFAOYSA-N	320.418	1.656	50	20	DDGD	
CN1CC[C@H](C(=O)NNC(=O)c2ccccn2)c2ccccc21	750714167	LBOBOFMFIOHCGG-ZDUSSCGKSA-N	310.357	1.466	50	20	DDGD	
CCn1nccc1CNC(=O)NC[C@@]1(C)C[C@@H]1Br	856868244	KTAGZMRZZHQZTE-CMPLNLGQSA-N	315.215	1.876	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)/C=C/c1cccc(O)c1)C1CC1	855100138	VFSNSISQPJRSBF-VHODGJRUSA-N	305.403	1.699	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H]2[C@H](C)O[C@H](C)[C@@H]2C)c1	858128012	XYDLOQIECBNPDH-ZWUHOBOKSA-N	320.389	1.581	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1ccc2c(c1)CCCO2	853278680	GZSVXYWOFJRKIC-UHFFFAOYSA-N	315.373	1.474	50	20	DDGD	
CNC(=O)CCCNC(=O)NNc1cc(F)cc(Cl)c1	853469576	NVZCYGFQYNJJEG-UHFFFAOYSA-N	302.737	1.631	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cc(Cl)c(C)cc1O	853314953	QBOBSFNGLMHHEX-SNVBAGLBSA-N	314.769	1.856	50	20	DDGD	
Cn1c(=NNC(=O)NCCn2cccc2)sc2ccccc21	753048210	DLNSCINITRDTKN-UHFFFAOYSA-N	315.402	1.856	50	20	DDGD	
CCn1nccc1C=NNC(=O)[C@H](C)CN1CCC(C)CC1	753696682	ZHRLCLOGMOGHLU-CQSZACIVSA-N	305.426	1.721	50	20	DDGD	
CCCCCCN(C)CC(=O)NNC(=S)NCC1CCC1	855091133	CLTSSILPFBYZNN-UHFFFAOYSA-N	314.499	1.794	50	20	DDGD	
Cc1ccccc1[C@H](CO)N(C)C(=O)/C(C#N)=C\c1cnn(C)c1	923719357	KKEDHOMESZRDMS-KCPLEYNQSA-N	324.384	1.828	50	20	DDGD	
CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)NNC(=O)C1CCC1	852691187	FPYCAJKKHMDTLX-XHDPSFHLSA-N	311.382	1.239	50	20	DDGD	
CCN1CCCN(C(=O)NC[C@@]2(C)C[C@@H]2Br)CC1	856953817	NCZMXFJTTNMTJD-WCQYABFASA-N	318.259	1.897	50	20	DDGD	
CCn1ccc(CC(=O)NNc2ccc(C)c(C(=O)OC)c2)n1	857264447	ZYMJXBXZRHYGDU-UHFFFAOYSA-N	316.361	1.684	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ncc(C(F)(F)F)cc1Cl	931118754	IPLYAWVMXIOFTO-UHFFFAOYSA-N	310.663	1.670	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)C)c(C)n1-c1cnn(C)c1	854214788	RNGKTEXXMIGGSQ-UHFFFAOYSA-N	303.366	1.245	50	20	DDGD	
CNc1nc(C)cc(C(=O)NC[C@@]2(C)C[C@H]2Br)n1	857391694	SMRSGBXQAGOUBQ-BXKDBHETSA-N	313.199	1.730	50	20	DDGD	
C[C@H](N)[C@@H]1CCN(C(=O)NC[C@]2(C)C[C@H]2Br)C1	857105556	NHQOWIMJUFWJCK-XNDJQWLSSA-N	304.232	1.539	50	20	DDGD	
CN(NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C(N)=O	752717639	LCDKGBTUIJFJGE-UHFFFAOYSA-N	318.742	1.382	50	20	DDGD	
Cc1ccc(C=NNC(=O)CNC(=O)c2cccs2)s1	750945136	FVZQYFUOFURAAK-UHFFFAOYSA-N	307.400	1.998	50	20	DDGD	
Cc1cc(C)cc(CC(=O)NNC(=O)Cc2cc(C)[nH]n2)c1	869019440	VAENEUZZYZLCDH-UHFFFAOYSA-N	300.362	1.268	50	20	DDGD	
CCS[C@@H](C(=O)NNC(=S)NCCSC)C(C)C	769766532	WCRVPIOCZWBZBT-SECBINFHSA-N	309.526	1.622	50	20	DDGD	
Cc1ccc([C@H](C)[C@@H](O)C(=O)NNC(=O)c2ccccn2)cc1	764580465	DCPCXEYSGLLUBS-SWLSCSKDSA-N	313.357	1.316	50	20	DDGD	
Cc1ccc([C@@H](C)[C@@H](O)C(=O)NNC(=O)c2ccc[nH]2)cc1	764632522	MJTSYGLYMXNZHI-BXUZGUMPSA-N	301.346	1.249	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cn1	762554730	HMODPOUYYTYIEC-UHFFFAOYSA-N	304.222	1.050	50	20	DDGD	
C#Cc1ccc(C(=O)NNc2ccc(OC)cc2[N+](=O)[O-])nc1	768332443	LOMUCPWHVZNUSP-UHFFFAOYSA-N	312.285	1.737	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccc([N+](=O)[O-])c2cccnc12	765522134	YOXBRKXHDXQGAD-UHFFFAOYSA-N	300.274	1.314	50	20	DDGD	
C[C@@H](NNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)C(F)(F)F	862307482	YCHOMBNOLMBSDD-BDAKNGLRSA-N	307.316	1.349	50	20	DDGD	
O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NNc1ncc(F)cn1	760908249	JGRMUZAPYAWAEE-CHISNJGVSA-N	320.368	1.780	50	20	DDGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCN2C(=O)CC[C@@H]2C1	766267831	AJHNLRMXHUXJHU-LSRDKYIXSA-N	312.329	1.766	50	20	DDGD	
C[C@@H](NNC(=O)CCCNC(=O)c1ccccc1)C(F)(F)F	862305685	STASSQMVCPTJKM-SNVBAGLBSA-N	317.311	1.768	50	20	DDGD	
CCc1ncncc1C(=O)NNc1nccc(N(CC)CC)n1	762913823	CHSMVIJLGWFKKG-UHFFFAOYSA-N	315.381	1.432	50	20	DDGD	
CCO[C@H](C(=O)NNc1ccc(S(C)(=O)=O)cc1)C1CC1	860314936	IATDVPCPRFLRFZ-ZDUSSCGKSA-N	312.391	1.348	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2nc3ccccc3s2)CCCOC1	874914125	MIJRKFVQBWOSIY-OAHLLOKOSA-N	319.386	1.874	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@]2(C)CCO[C@H]2C2CC2)cc[nH]1	875500594	VPQWIHPGJJYILD-HOCLYGCPSA-N	304.394	1.643	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(C)nc1Br	878978176	ONPJHKJYMKXIHJ-UHFFFAOYSA-N	317.143	1.887	50	20	DDGD	
COC(=O)c1csc(C=NNC(=O)Cn2nc(C)cc2C)c1	872334708	KAXJYPMVKBSAOP-UHFFFAOYSA-N	320.374	1.498	50	20	DDGD	
C[C@H](NNC(=O)c1c[nH]c(Br)c1)C(F)(F)F	1118882303	OTFDKUDHONNYKI-BYPYZUCNSA-N	300.078	1.962	50	20	DDGD	
Cc1nn(C)c2ncc(NC(=O)NNC(=O)OC(C)(C)C)cc12	779353777	VTMWVGKWWLYFMZ-UHFFFAOYSA-N	320.353	1.838	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2ccncc2F)nc1C	778428166	ILXXKCDVVUFXIJ-UHFFFAOYSA-N	319.296	1.253	50	20	DDGD	
O=C(CN1CCC[C@@H]1c1ncc[nH]1)NNC(=O)c1cccs1	778228906	RFOYZNGSGLLBNC-SNVBAGLBSA-N	319.390	1.069	50	20	DDGD	
CCNC(=O)N(C)N=Cc1ccc(OC)c(Cn2cccn2)c1	872361430	AZAOINXPNTWKEY-UHFFFAOYSA-N	315.377	1.935	50	20	DDGD	
C[C@]1(C(=O)NC[C@H]2CCCN(C(N)=O)C2)C[C@H]1Br	1119569156	BFQVXEXMTXPJQI-LNLATYFQSA-N	318.215	1.067	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1F)[C@H]1CCCCS1(=O)=O	871271076	DNZXHXLLSVQBND-LLVKDONJSA-N	320.773	1.890	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H]1CCn2ccnc2C1	777774626	UPESFXXJZCLHSR-LLVKDONJSA-N	314.345	1.375	50	20	DDGD	
COc1ccc(O)c(C(C)=NNC(=O)c2sc(N)nc2C)c1	874109870	ZDTDGSVINOBFFX-UHFFFAOYSA-N	320.374	1.902	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)N[C@@H]1CC12CCC2	872794892	RNWUPMAYOPHGOR-CYBMUJFWSA-N	319.361	1.347	50	20	DDGD	
CCCc1nc(C)c(NC(=O)C(=O)NNc2ncccn2)s1	777142958	FCTMWXKVCISLRQ-UHFFFAOYSA-N	320.378	1.276	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNC(=O)C2CCCC2)c1F	770771899	PKJOLZABYHQZNX-UHFFFAOYSA-N	323.324	1.110	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)c1cccc(C)c1	772143672	RDJLAROJAANSLH-NEPJUHHUSA-N	306.362	1.588	50	20	DDGD	
N#CCOc1ccc(CNS(=O)(=O)CCCCl)cc1	881858671	LXJIJFVSOPLJJQ-UHFFFAOYSA-N	302.783	1.637	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C1(F)CCCC1	776108705	YSQROOLLVXTYTA-UHFFFAOYSA-N	309.341	1.537	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccc(C#N)c(Cl)c2)n1	779379456	AZMRROLHTOHIAA-UHFFFAOYSA-N	316.752	1.825	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCC[C@@H]1Cc1ccccc1	779816472	BEYPMTURJCUTPA-CYBMUJFWSA-N	303.362	1.857	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)[C@H]1CCc2nnc(O)n2C1	1120711209	UWZCAPWVWNVAME-VIFPVBQESA-N	305.313	1.137	50	20	DDGD	
CCS(=O)(=O)N[C@H](C)C(=O)NNc1ccc(F)cc1Cl	885136992	KWGOCJXOAYIOJI-SSDOTTSWSA-N	323.777	1.250	50	20	DDGD	
Cc1ccc2c(c1)CC[C@@H](C(=O)NNC(=O)C1CCOCC1)O2	883069850	YNNQMOGULANVPV-HNNXBMFYSA-N	318.373	1.263	50	20	DDGD	
O=S(=O)(CCCCl)N1CCC([C@H](O)C(F)(F)F)CC1	881995481	WHEKJKDYTBXJFX-VIFPVBQESA-N	323.764	1.580	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cc(F)ccc1Cl	883070665	YYIFYJLTTPYRHC-UHFFFAOYSA-N	300.717	1.667	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H](C)Oc1ccc(C(F)(F)F)cc1	782672018	MXMZLRGTVMXHKM-QMMMGPOBSA-N	319.283	1.823	50	20	DDGD	
CNS(=O)(=O)c1ccc(C)c(C(=O)N2CC=C(C#N)CC2)c1	780689819	MNMAKBIJSHCOIV-UHFFFAOYSA-N	319.386	1.199	50	20	DDGD	
Cn1nc(Br)cc1C=NNC(=O)c1ccc(N)cc1	782112290	CBECIJKBQCUDLI-UHFFFAOYSA-N	322.166	1.529	50	20	DDGD	
CC(C)(C)c1ncsc1C(=O)NNC(=O)c1cccnn1	882059401	WHVNFMDIJDNRKL-UHFFFAOYSA-N	305.363	1.305	50	20	DDGD	
C[C@H](c1ccccc1)N(CC(N)=O)S(=O)(=O)CCCCl	881987335	QZAGBLCLMKZRQM-LLVKDONJSA-N	318.826	1.494	50	20	DDGD	
CC(C)(C(=O)NNC(=O)Cc1cncs1)c1ccccc1	782464344	TVGLWJLXKUWRMV-UHFFFAOYSA-N	303.387	1.811	50	20	DDGD	
Cc1ccc(CCC(=O)NNC(=O)C2CCOCC2)c(C)c1	883060433	LSYIOJDNNRSTPI-UHFFFAOYSA-N	304.390	1.810	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@]2(C)CCCOC2)cc1	781138056	HMCDQFWVCSOXPV-MRXNPFEDSA-N	306.362	1.338	50	20	DDGD	
C[C@@H]1CC[C@@H](NC(=O)NNC(=O)Cc2cn3ccccc3n2)C1	780794043	FBVVLMMQUXJNCO-VXGBXAGGSA-N	315.377	1.396	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1	780711729	SKDKJGGXDMGVCV-CQSZACIVSA-N	315.377	1.220	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)c1	780687296	PQHYYSPMBRIHMX-FVQBIDKESA-N	318.373	1.255	50	20	DDGD	
CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)NNc1ncncc1Cl	780999289	LEALOFXEQRWAEB-SFGNSQDASA-N	311.773	1.570	50	20	DDGD	
C[C@H](CBr)CN1CCN(CC(C)(C)O)C[C@H]1C	781941888	VVILSPJQXBSNEY-VXGBXAGGSA-N	307.276	1.794	50	20	DDGD	
CC(=O)NNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C	785669508	CVTAVCJEXZHMKG-UHFFFAOYSA-N	316.111	1.447	50	20	DDGD	
CCC[C@@H](C)N1C[C@H](C(=O)NNc2ccnc(F)c2)CC1=O	781363384	ADPOCXCHAZHLRE-GHMZBOCLSA-N	308.357	1.701	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cccnc2OC)cc1	783039085	FWECXNBMHCVYRG-UHFFFAOYSA-N	316.317	1.181	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	792812912	LLCSDPDNADDTQX-IINYFYTJSA-N	324.377	1.526	50	20	DDGD	
CCOc1cccc(S(=O)(=O)NNC(=O)C2CCCC2)c1	799916662	MFTNQMWSBBRNOW-UHFFFAOYSA-N	312.391	1.585	50	20	DDGD	
CC[C@@H]1C[C@H]1NC(=O)NNC(=O)c1cc(OC)cc(OC)c1	798105682	HJMPTURTBPLFFL-NOZJJQNGSA-N	307.350	1.446	50	20	DDGD	
CO[C@H]1CCN(CC(=O)NNC(=O)c2ccc(C)cc2)[C@H](C)C1	799343647	LMIFZWIHIHUNJX-HIFRSBDPSA-N	319.405	1.255	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cnc(C3CC3)s2)n1	794083661	KOQDFLNFSRZXLE-UHFFFAOYSA-N	302.359	1.799	50	20	DDGD	
C[C@]1(CO)CCCN1S(=O)(=O)c1ccc(CCl)cc1	723000216	FLRVPMWVQWMIAR-CYBMUJFWSA-N	303.811	1.961	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)Nc1ccc(N(C)C)cc1)C1CC1	798126694	BHBCZBXFYUVOTC-ZDUSSCGKSA-N	306.366	1.330	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1ccc(C(N)=O)cc1	798312900	MNNTYIQRQUIICO-UHFFFAOYSA-N	312.329	1.560	50	20	DDGD	
Cc1cc(NC(=O)NNc2cccc(F)c2[N+](=O)[O-])nn1C	790518638	QCNURXSNNSHYIV-UHFFFAOYSA-N	308.273	1.924	50	20	DDGD	
CC(C)n1nccc1C=NNC(=O)c1ccc(-n2cnnn2)cc1	794485237	HDEOIALJHPDKHU-UHFFFAOYSA-N	324.348	1.204	50	20	DDGD	
O=C(NN=C[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCc2nncn2C1	793132470	WGRCUTRHHKVIPH-ILXRZTDVSA-N	309.373	1.746	50	20	DDGD	
O=C(NCc1ccco1)NN=Cc1cc(C(F)(F)F)n[nH]1	799477695	FSYBOMCAJWZKGX-UHFFFAOYSA-N	301.228	1.855	50	20	DDGD	
O=C(NN=Cc1cccc([N+](=O)[O-])c1)c1ccc(O)c(O)c1	794557915	BWTJRMJQDWOQJP-UHFFFAOYSA-N	301.258	1.770	50	20	DDGD	
C[C@@H](C=NNC(=O)c1ccc(N)cc1)NC(=O)OC(C)(C)C	799105445	XQJAGWHOZBMDKA-JTQLQIEISA-N	306.366	1.898	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)SCc1ccc2c(c1)OCO2	794546081	PVCNLSMTMSINKI-VIFPVBQESA-N	310.375	1.594	50	20	DDGD	
CC[C@@H]1CN(CC(=O)NNC(=O)c2cccs2)CCCO1	799201438	XRBBVLZIZLUWHW-LLVKDONJSA-N	311.407	1.010	50	20	DDGD	
O=C1CCCN1[C@H]1CCN(S(=O)(=O)CCCCCl)C1	790908876	LGRJSRJIISEWNC-NSHDSACASA-N	308.831	1.032	50	20	DDGD	
CCOc1cc(C=NNC(=O)C(=O)OC)cc(Cl)c1O	1319047093	QYCYHVWOUXRALC-UHFFFAOYSA-N	300.698	1.067	50	20	DDGD	
COc1ccc(C(=O)NNc2nncc(N)c2Cl)cc1F	1319303338	PPUKZVWPHBUGOO-UHFFFAOYSA-N	311.704	1.617	50	20	DDGD	
CSCCCNC(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1328931670	XALKDTNOYLYZMG-KCJUWKMLSA-N	323.256	1.145	50	20	DDGD	
Cn1ccc(NNC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)n1	1325385971	NUSQWTWMDVZHRE-NSHDSACASA-N	323.397	1.509	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NC[C@@H]2CCOC2)cc1	1327240843	QLRYKROVSPOVLD-LBPRGKRZSA-N	307.350	1.065	50	20	DDGD	
C[C@@H](CC(=O)OC(C)(C)C)NC(=O)NNC(=O)c1ccccc1	1251734184	NUQQDWWNMZFNTN-NSHDSACASA-N	321.377	1.751	50	20	DDGD	
Cc1ccc2c(c1)S[C@@H](C(=O)NNc1cc(C)nc(N)n1)C2	1332486886	CCWOXNBQDYXCKV-GFCCVEGCSA-N	315.402	1.836	50	20	DDGD	
COc1cc(C=NNC(=O)C[n+]2ccccc2)ccc1SC	1339660488	YGTQLBFYPKZUEW-UHFFFAOYSA-O	316.406	1.855	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC/C=C/C2CC2)cc1C	1330865693	WFNRTUVTDWJVSW-ONEGZZNKSA-N	317.389	1.979	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCOCC(F)F)cc1	1343528881	DESAKAXCLMLAOG-UHFFFAOYSA-N	302.277	1.128	50	20	DDGD	
COCc1nocc1C(=O)NC[C@]1(C)C[C@@H]1Br	1261780408	MXLRXTYEWABWCD-ONGXEEELSA-N	303.156	1.724	50	20	DDGD	
COc1ncc(C(=O)OC[C@]2(C)C[C@@H]2Br)cn1	1346559319	YKWMLCNIIONYBI-KWQFWETISA-N	301.140	1.816	50	20	DDGD	
COC1(OC)CC(CNC(=O)NNc2ncc(Cl)cn2)C1	1263774583	CSAFTVGTIWVUJG-UHFFFAOYSA-N	315.761	1.155	50	20	DDGD	
COC1(OC)CCOC[C@@H]1NC(=O)c1cccc(CCl)c1	1347203321	XZNAZFSKZSRIJG-ZDUSSCGKSA-N	313.781	1.933	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCN2CCC[C@@H]2C)cc1	1352096509	GAKKRKAEOOXJIH-LBPRGKRZSA-N	320.393	1.124	50	20	DDGD	
N#CC1=CCN(C(=O)c2cccc(C(=O)N3CCCC3)n2)CC1	1362254340	NLJIURZBMGKDDF-UHFFFAOYSA-N	310.357	1.613	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccccn1)c1ccc(-c2nn[nH]n2)cc1	1603631243	IYMINVLWDORVKW-SNVBAGLBSA-N	324.348	1.649	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC2CCCCC2)c(C(=O)O)nn1C	1600009952	SZGPECNRCLBWEZ-DHZHZOJOSA-N	316.361	1.783	50	20	DDGD	
O=C(/C=C\c1cncc(O)c1)NNc1ccc(C(=O)O)cc1F	1601245008	FJSJVMURKAZVAP-RJRFIUFISA-N	317.276	1.781	50	20	DDGD	
Cc1cc(CNC(=O)/C(C#N)=C/c2cnn(C)c2)oc1C(=O)O	1600197453	OKZFLDSTGQSXMM-NYYWCZLTSA-N	314.301	1.243	50	20	DDGD	
CCc1cc(CC(=O)NNc2ccc(F)c(C(=O)O)c2)n(C)n1	1605798791	ZEFBMSKSKTXMBI-UHFFFAOYSA-N	320.324	1.506	50	20	DDGD	
O=C(O)Cc1occc1C(=O)NNc1ccccc1[N+](=O)[O-]	1602155357	NWYSOKYTZUSYQS-UHFFFAOYSA-N	305.246	1.572	50	20	DDGD	
Cc1c(NNC(=O)c2ccc3nonc3c2)cccc1C(=O)O	1607552695	LYVLEWCKNUPJCG-UHFFFAOYSA-N	312.285	1.986	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2cc(C(=O)O)n(C)c2)n1	1600658684	LZGQNCJSVWGMOU-UHFFFAOYSA-N	306.347	1.181	50	20	DDGD	
Cc1c(Cl)cccc1NC(=S)NNC(=O)NCC(=O)O	1607530463	DHVZGJBDJUBTEY-UHFFFAOYSA-N	316.770	1.234	50	20	DDGD	
C#CCCCC(=O)NN[C@@H](C(=O)O)c1cccc(C(=O)OC)c1	1602701386	HSVCCLRKTMUIME-CQSZACIVSA-N	318.329	1.023	50	20	DDGD	
CN(C)c1cccnc1C(=O)NNc1ccc(CC(=O)O)cc1	1606061977	KQLHDOFOFMBZMG-UHFFFAOYSA-N	314.345	1.532	50	20	DDGD	
Cc1ccc(F)c(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)c1	1549319121	SOVXMOCLYHIHEH-ZFWWWQNUSA-N	305.353	1.447	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1ccc(F)c(F)c1	1549312718	CMZVYERMWXFNMT-IUODEOHRSA-N	323.343	1.668	50	20	DDGD	
CCOc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)cc1	1549315835	OLNXSFMAGJELHD-GDBMZVCRSA-N	317.389	1.399	50	20	DDGD	
COc1cc(C)ccc1C=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549313936	JFYTUPNUMFHJBX-GOEBONIOSA-N	317.389	1.317	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@@H]1C=NNC(=O)c1cnccn1	1552447338	RSVRJJWOODCRPU-YPMHNXCESA-N	314.349	1.094	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H](N)c1ccccc1C	1578881325	ZKMOVBWNTJSVMW-HNNXBMFYSA-N	313.357	1.925	50	20	DDGD	
N[C@H](CC(=O)NNC(=O)OCC(F)(F)F)c1ccccc1	1580120867	ACGJQZYVXPMWKE-SECBINFHSA-N	305.256	1.396	50	20	DDGD	
CCOCC1(C(=O)NNc2ccc(C(=O)O)cc2OC)CC1	1596891259	OAVKMHKNYAIGMK-UHFFFAOYSA-N	308.334	1.653	50	20	DDGD	
O=C(NNc1cccc2cnccc12)c1ccc(-c2nn[nH]n2)o1	1593166684	JLBPREGOJIQKBL-UHFFFAOYSA-N	321.300	1.765	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)CCc1ccon1	1599377384	WQEASLAOXCWEEN-UHFFFAOYSA-N	305.290	1.457	50	20	DDGD	
CCNC(=O)CCCC(=O)NNc1ccc(CC(=O)O)cc1	1596458431	NUDLUDWKDPHFGW-UHFFFAOYSA-N	307.350	1.063	50	20	DDGD	
O=C(O)c1csc(C=NNC(=O)c2cn3c(n2)CCCC3)c1	1776105456	JEVIGWOHQKGEGZ-UHFFFAOYSA-N	318.358	1.743	50	20	DDGD	
Cc1cccc(C)c1NC(=S)NNC(=O)c1cnn(C)c1	14806812	HICIIUFTHIVGFD-UHFFFAOYSA-N	303.391	1.668	50	20	DDGD	
O=C(CSc1ccc(F)cc1)NNC(=O)c1cccnc1	15507731	DQPJWEAWFQMYRO-UHFFFAOYSA-N	305.334	1.774	50	20	DDGD	
CNC(=O)CCCC(=O)NNC(=O)c1cc2ccccc2o1	155542820	HSIHXEJKPYCYHP-UHFFFAOYSA-N	303.318	1.110	50	20	DDGD	
C#Cc1cccc(NC(=O)C(=O)NNc2nc(C)cc(C)n2)c1	156254500	WYUBRKHDTYCBSF-UHFFFAOYSA-N	309.329	1.157	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cc(OC)ccn2)n1	155916301	ROQBPDGDAAJDLV-UHFFFAOYSA-N	316.365	1.483	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	8390395	PLKVHKNUSAKDMN-UHFFFAOYSA-N	323.418	1.303	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1csc(-c2ccco2)n1	106417008	LIALTOUIWSYCLH-UHFFFAOYSA-N	317.330	1.130	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2cccnc2)c(C)n1C1CC1	103456852	KJMRGQXVWVXAAR-UHFFFAOYSA-N	312.373	1.839	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccc(C#N)cn2)cc1C	107535227	VKTSLGKKSZRZQB-UHFFFAOYSA-N	324.340	1.410	50	20	DDGD	
COc1ccnc(NNC(=O)[C@](C)(OC)c2ccccc2)n1	106739670	MVAWXGABOZOWSL-OAHLLOKOSA-N	302.334	1.490	50	20	DDGD	
CCCNC(=O)CN(CCC)C(=O)NNC(=O)C(C)(C)C	109150150	CSCKITIHVAYEAC-UHFFFAOYSA-N	300.403	1.012	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(CC)Cc1ccc(OC)cc1	111202910	JVOIUSHCIOEZGJ-LBPRGKRZSA-N	307.394	1.463	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=S)N[C@H](C)C1CC1	171168347	HRTXJNKZSGJGIC-LLVKDONJSA-N	321.446	1.922	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CCc1cn(C)nc1C	115729069	JOYNTZBIQAEIHD-UHFFFAOYSA-N	315.377	1.822	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)N[C@@H]2CCOC2)c(Cl)c1	178764127	QKQHGCQAPXWXHE-SECBINFHSA-N	312.757	1.773	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cccc(N(C)C)c2)n1	175389643	MMFLRJXATCFHHN-UHFFFAOYSA-N	301.350	1.617	50	20	DDGD	
CCc1onc(C)c1NC(=O)C(=O)NNc1nc(C)cc(C)n1	1342891346	BVCJQRJVFLCOKV-UHFFFAOYSA-N	318.337	1.034	50	20	DDGD	
O=C(CC1CCOCC1)NNC(=O)NCCc1cccs1	117244263	GAOKOPPXJHEMPC-UHFFFAOYSA-N	311.407	1.438	50	20	DDGD	
CCc1[nH]nc(C(=O)NNC(=O)c2cc(C)oc2C)c1[N+](=O)[O-]	171397522	SJOPKWKKPQUNGC-UHFFFAOYSA-N	321.293	1.165	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C(F)(F)C2(O)CCC2)cc1	305714683	ZKIUOUUZZWSIQW-UHFFFAOYSA-N	312.316	1.560	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccccc2[N+](=O)[O-])o1	175833479	XIKKWNUHAQSULS-UHFFFAOYSA-N	303.274	1.500	50	20	DDGD	
CCN(CC)[C@@H]1CCN(C(=O)NNC(=O)c2ccccc2)C1	174778335	MGNXTEWKGPXVCA-CQSZACIVSA-N	304.394	1.457	50	20	DDGD	
O=C(CCC(=O)c1cccs1)NNC(=O)NCC(F)(F)F	60415276	UNEYWPBTBMZAPU-UHFFFAOYSA-N	323.296	1.604	50	20	DDGD	
C[C@@H]1CNc2c(C(=O)NNC(=O)c3ccccc3F)cnn2C1	1346231202	XDPQMNJXIFAQME-SECBINFHSA-N	317.324	1.159	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1cccnc1)N1CCc2ccccc21	171596202	UPDFSYNUTRXBFA-ZDUSSCGKSA-N	324.384	1.223	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cc(F)c(F)c(F)c1F	126190615	AFTOWLWKTGNRKZ-ZETCQYMHSA-N	306.215	1.183	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)o1	129090730	OOVXHQIVNQYRBX-WCQYABFASA-N	307.350	1.490	50	20	DDGD	
COCc1nc(C)c(C(=O)NNC(=O)c2ccncc2)s1	121370926	UDPQOMIPLRMMED-UHFFFAOYSA-N	306.347	1.068	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(C(F)(F)F)nc1	32260589	SSIJLDUYKZHBFF-QMMMGPOBSA-N	303.240	1.040	50	20	DDGD	
CNC(=O)NNC(=O)c1cn(-c2ccccc2)nc1C(C)(C)C	126310009	JZGSPTGMCRUKOE-UHFFFAOYSA-N	315.377	1.744	50	20	DDGD	
CCN1CCCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CC1=O	188075274	YBYWENPXXFFOMQ-UVTDQMKNSA-N	315.348	1.813	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)C1(O)CCCCC1	127744526	QITQVACFUSEYFJ-UHFFFAOYSA-N	303.322	1.270	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1cccc(F)c1F	78192573	KOBRTDMLNZKNHB-UHFFFAOYSA-N	320.295	1.943	50	20	DDGD	
Cc1ccc(O[C@H](C)C(=O)NNC(=O)NCC(F)(F)F)cc1	124649672	YOEZANAFCWNCNX-SECBINFHSA-N	319.283	1.655	50	20	DDGD	
Cc1cccc2c(CC(=O)NNC(=O)c3cnn(C)c3)c[nH]c12	78115939	OIXCLZWHVLGCEV-UHFFFAOYSA-N	311.345	1.214	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1	123320888	HSTMKFZCFRORGP-AVGNSLFASA-N	317.393	1.677	50	20	DDGD	
Cn1ncc([N+](=O)[O-])c1C(=O)NNc1cccc2c1CCCC2	128366647	ABNMBEGLXHDRMD-UHFFFAOYSA-N	315.333	1.964	50	20	DDGD	
CSC[C@H](C)NC(=O)NNC(=O)c1cccc(N(C)C)c1	77799177	RCDRTQUIJLUKIG-JTQLQIEISA-N	310.423	1.448	50	20	DDGD	
O=C(/C=C\c1ccco1)NNC(=O)COc1ccc(F)cc1	212105626	NOQDVHMGNHAUHI-FPLPWBNLSA-N	304.277	1.658	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCc1ccncn1)c1ccccc1	192353993	PGBWISUTOZVFQO-HNNXBMFYSA-N	312.373	1.750	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cccc(C)c2F)nc(C)n1	130482058	VQNLYCJBALFNIN-UHFFFAOYSA-N	317.324	1.623	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCc2ccn(C)c2)cc1	81510099	CLIUTIZMSIWBOZ-UHFFFAOYSA-N	300.362	1.732	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1c[nH]c(=O)c2ccccc12	190500185	HVGJAGRSYBHIMF-UHFFFAOYSA-N	313.357	1.869	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccnc(F)c2)cc1	195331891	PBRDKSDXZPGDDD-UHFFFAOYSA-N	303.293	1.369	50	20	DDGD	
Cc1ccc(C)c(C(=O)CCC(=O)NNC(=O)C(C)(C)O)c1	190058757	KVNZKNYYFNAFGN-UHFFFAOYSA-N	306.362	1.185	50	20	DDGD	
C=CCCOCC(=O)NNC(=O)c1ccc(OCC)c(OC)c1	143711770	FPTVKQAEEYUXGP-UHFFFAOYSA-N	322.361	1.448	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)/C=C\c2cncc(F)c2)nc1	255019873	HTEWDDGQYWWAMR-DJWKRKHSSA-N	316.292	1.559	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cccc(OCCOC)c1	255114375	HRBNYZFRWNCQBK-UVTDQMKNSA-N	304.346	1.381	50	20	DDGD	
CN1CCC(C(=O)NNC(=O)C(C)(C)c2ccccc2)CC1	266869633	XCSAUZBULDEHRJ-UHFFFAOYSA-N	303.406	1.453	50	20	DDGD	
C[C@@H]1CC/C(=C\C(=O)NNC(=O)c2ccc3c(c2)OCCO3)C1	267835804	FVPKHBCLQLNPEZ-LWMMSDEHSA-N	316.357	1.965	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)CNc1ccc(OC)cc1	269849152	OHZDEGLJDHKFHJ-NSHDSACASA-N	309.366	1.070	50	20	DDGD	
CC[C@H](C)Oc1cc(C(=O)NNC(=O)c2ccccn2)ccn1	271957220	CYSWOQPUSBGHDW-NSHDSACASA-N	314.345	1.729	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1occ2c1CCOC2	367571195	ACNKXEDTKMTFLU-UHFFFAOYSA-N	316.313	1.436	50	20	DDGD	
Cc1c(NC(=O)C(=O)NNC(=O)CC(C)C)cccc1[N+](=O)[O-]	274020656	CCGJPTXBPOFHKZ-UHFFFAOYSA-N	322.321	1.035	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cnc(S)[nH]1	274864655	BWXIOOHEYZOWIA-UHFFFAOYSA-N	320.418	1.676	50	20	DDGD	
C[C@@H]1C[C@@H](CCNC(=O)NNC(=O)c2ccccc2)CCO1	273338357	NGZAPNXROJNCFJ-OLZOCXBDSA-N	305.378	1.836	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1cc(C)ccc1C	272404421	XYDSKWHTNCLZPI-LBPRGKRZSA-N	309.366	1.508	50	20	DDGD	
CCC(CC)n1nc(C(=O)NNc2nccn(C)c2=O)cc1C	272062694	NSOKZQROMXONKV-UHFFFAOYSA-N	318.381	1.403	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2cccnn2)c2ccc(F)cc2N1	376651459	LDROJRMRFZRPII-JTQLQIEISA-N	301.281	1.185	50	20	DDGD	
C[C@H](CCc1cccn1C)NS(=O)(=O)CBr	271424684	RVXRBNIGVOOSNQ-SECBINFHSA-N	309.229	1.618	50	20	DDGD	
N#Cc1cc(NC(=O)C(=O)NNC(=O)CC2CC2)ccc1Cl	274041619	FZIKXYOBBYBSCP-UHFFFAOYSA-N	320.736	1.098	50	20	DDGD	
COC(=O)c1ccc(S(=O)(=O)NCCSSC)o1	284664739	MVTTZKWSHWUTSF-UHFFFAOYSA-N	311.406	1.356	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNc2nc(-c3ccncc3)no2)O1	282206537	OFJGRKSNEZKQCK-KKZNHRDASA-N	303.322	1.388	50	20	DDGD	
O=C(CC1OCCCO1)NNC(=O)Nc1ccc(Cl)cc1	283812555	XQPFKGOQOZAWJK-UHFFFAOYSA-N	313.741	1.646	50	20	DDGD	
Cn1cc(-c2nn(C)cc2C(=O)NNC(=O)CC(C)(C)C)cn1	372459439	DKHFMVRZOCKAEM-UHFFFAOYSA-N	318.381	1.018	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)C(C)(C)C)c(C(F)(F)F)n1	280603208	PPXVXVAZSODFTD-UHFFFAOYSA-N	306.288	1.729	50	20	DDGD	
CCOC(=O)c1cnc(C(=O)NN(C)C(=O)OC)c(Cl)c1	286313664	KMWOTBDLWWUJHC-UHFFFAOYSA-N	315.713	1.255	50	20	DDGD	
CC1(CCNC(=O)NNC(=O)Cc2cn3ccccc3n2)CC1	280410033	ORIBGBRPMBGIAT-UHFFFAOYSA-N	315.377	1.397	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(C)CCOCCO)cc1	282040195	BTFVZVBMMXQBJL-NTCAYCPXSA-N	318.373	1.460	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNc2nccnc2C2CCC2)C1	287335348	YKBNDBJWDCXVPO-LBPRGKRZSA-N	317.393	1.446	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNc1cccc(S(C)(=O)=O)c1	280512436	QCSOCHPCKJABJU-ZDUSSCGKSA-N	300.380	1.348	50	20	DDGD	
CCc1ccc([C@@H](C)C(=O)NNC(=O)N2CCN(C)CC2)cc1	807380205	CZPZTUKQKZYJQY-CYBMUJFWSA-N	318.421	1.341	50	20	DDGD	
O=C(NCc1cnn2ccccc12)NNC(=O)c1ccccc1	804892459	SBJBFIQNTWFXLD-UHFFFAOYSA-N	309.329	1.479	50	20	DDGD	
CCCCN(C)C[C@@H](C)NC(=O)NNc1nccc(OC)n1	291787449	XKRPFUCYIDKYAO-LLVKDONJSA-N	310.402	1.232	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)COC[C@H]1CCCO1	805382723	VQEBUCOFERFUAZ-GFCCVEGCSA-N	309.322	1.542	50	20	DDGD	
CC(C)C(Cn1cccn1)=NNC(=O)Cc1cn2ccccc2n1	802710719	DDJLAUNVCUANDI-UHFFFAOYSA-N	324.388	1.902	50	20	DDGD	
O=C(C[C@@H]1COc2ccccc2O1)NNC(=O)NC1CCCC1	294630570	GAUSVSXVCDNQFF-GFCCVEGCSA-N	319.361	1.490	50	20	DDGD	
COCCN1CN(C(=O)[C@H](Br)C(C)(C)C)CC1=O	801589854	DEDLNALSEACGOX-JTQLQIEISA-N	321.215	1.071	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@@H]1CCN2CCCC[C@@H]12	298752760	RVXZVEMYFXZSOU-KGLIPLIRSA-N	302.378	1.257	50	20	DDGD	
C[C@@H](CC(=O)NNc1cccc(F)n1)NC(=O)c1ccccc1	804764314	UGWJOGQEJGSDSD-NSHDSACASA-N	316.336	1.872	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCCO2)c2[nH]ncc12	293369529	OWBQNYNQNUARBW-NSHDSACASA-N	303.322	1.203	50	20	DDGD	
CN(NC(=O)CCNC(=O)c1ccco1)C(=O)OC(C)(C)C	297830063	YBJKRGNWSGOZNN-UHFFFAOYSA-N	311.338	1.298	50	20	DDGD	
C#CC[C@H](NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)c1ccccc1	297095337	ADPKCCAYUCYOKM-QEJZJMRPSA-N	315.373	1.649	50	20	DDGD	
CN(C)c1ccc(NC(=O)C(=O)NNc2cccc(F)n2)cc1	807393066	VDXNHSBWIRSGMH-UHFFFAOYSA-N	317.324	1.369	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCC2)NNC(=O)[C@H]1CCCCO1	295586075	OTGUZTLIELIJCF-OAHLLOKOSA-N	302.374	1.434	50	20	DDGD	
COCc1nc(C(=O)NNC(=O)Nc2ccccc2)cs1	801990300	DQOLVSZEFJNSFA-UHFFFAOYSA-N	306.347	1.756	50	20	DDGD	
COCCN(C)NC(=O)c1c(C)nn(Cc2ccccc2)c1N	297101533	NMHYOUBWFKYUEI-UHFFFAOYSA-N	317.393	1.045	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)NC2CC2)c(OC)c1	294630442	FZIVCZDSRLSMLU-UHFFFAOYSA-N	307.350	1.590	50	20	DDGD	
N#CCOc1ccc(CNC(=O)NNc2cccc(F)n2)cc1	805058618	UXKIXMSIKGYXLK-UHFFFAOYSA-N	315.308	1.949	50	20	DDGD	
C=CCC(C)(C)CNC(=O)NNc1ccc(-n2cccn2)nn1	297553574	ZZJARXCOLAVJJA-UHFFFAOYSA-N	315.381	1.891	50	20	DDGD	
C#CCOc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	294214983	LXTAOPANKRAPRG-FZMZJTMJSA-N	302.330	1.027	50	20	DDGD	
CCSc1cc(C(=O)NNC(=O)N=c2cc[nH]cc2)ccn1	802032858	WOKZSXWBNXJXEA-UHFFFAOYSA-N	317.374	1.477	50	20	DDGD	
O=C(NNc1cnccn1)C(=O)Nc1cccc(F)c1Cl	806967274	AMZZGUSOFWMRES-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1O)c1csc(N)n1	814951057	LAQRIKYOZKOSCX-UHFFFAOYSA-N	306.347	1.350	50	20	DDGD	
C[C@H](CC(=O)NNc1ncncc1F)C(=O)c1ccccc1	817082090	JPTPSCIFMRLWQH-SNVBAGLBSA-N	302.309	1.968	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NN=C1CCN(CCO)CC1	819805528	YAGWPIYFNWKWDU-GFCCVEGCSA-N	323.368	1.153	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccc(Br)nc1	817082386	VCTMWJRHBVSKPX-UHFFFAOYSA-N	312.102	1.530	50	20	DDGD	
CCOc1ccc(NNC(=O)C(=O)Nc2cnc(C)s2)cc1	815817067	APRDZZPIISBRGC-UHFFFAOYSA-N	320.374	1.932	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)c1cc([N+](=O)[O-])cnc1O	816338405	HXYNHHPTCFDJMB-UHFFFAOYSA-N	322.252	1.600	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2cccc(C(=O)O)c2Cl)cn1	814852694	KYRWPKSKUDAHJV-UHFFFAOYSA-N	306.709	1.536	50	20	DDGD	
Cn1cnc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)n1	811494217	QZSSYTLCZRDPDW-UHFFFAOYSA-N	310.239	1.462	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)OCCN2CCNC2=O)cc1	729205012	IEFMAEZRKMNUQO-RAXLEYEMSA-N	315.329	1.171	50	20	DDGD	
O=C(NN=Cc1ccc(-c2nn[nH]n2)cc1F)c1ccccn1	823273118	DZYANAWQCIIZND-UHFFFAOYSA-N	311.280	1.165	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1ccnc(F)c1	495748901	UGWKEKDTNWKCKA-UHFFFAOYSA-N	310.329	1.586	50	20	DDGD	
COc1cccc(NNC(=O)NC2CCC(C(=O)O)CC2)n1	820871230	QTAJSNLIBKFFFS-UHFFFAOYSA-N	308.338	1.360	50	20	DDGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2cnnn2C)cc1	490702730	ZWRUDHUENYDTFU-JYVXZMADSA-N	311.345	1.608	50	20	DDGD	
COc1cc(C)c(NC(=O)NNC(=O)c2cc[nH]n2)c(C)c1C	823366895	QYQGTFZABUVOAK-UHFFFAOYSA-N	317.349	1.810	50	20	DDGD	
O=C(NNC(=O)C(=O)c1ccc(Cl)cc1)NC1CCCC1	727104963	XZPBEUKYRNCMKH-UHFFFAOYSA-N	309.753	1.796	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc2c(c1)nc(O)n2CC1CC1	823376809	KEDOLBFAJYBCNY-UHFFFAOYSA-N	318.377	1.111	50	20	DDGD	
Cc1cc(C)cc(CC(=O)NNC(=O)NCc2ccco2)c1	823792663	BNLQENMOZHGUGB-UHFFFAOYSA-N	301.346	1.970	50	20	DDGD	
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NNc1nc(-c2cccnc2)no1	827106542	VOXPQDKCKJATLS-GHMZBOCLSA-N	317.349	1.778	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@](C)(O)C1CCC1	822730578	AOFZIGUFVVQIHX-HNNXBMFYSA-N	310.325	1.607	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCC[C@@H]2[C@H]2CCCO2)cn1	491007666	GHVPYSOICYACCK-ISJXMTRFSA-N	300.362	1.497	50	20	DDGD	
O=C(CC[C@@H]1CCOC1)NNc1cccc(-c2nn[nH]n2)c1	826405287	ANRFCVROODUFLF-SNVBAGLBSA-N	302.338	1.127	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)C[C@H]1CC(=O)NC1=O	820008651	PQFXTJPPCRYUBR-LLVKDONJSA-N	303.362	1.614	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1n[nH]c2ccccc12	826447642	PJFYAJHECQQPLN-UHFFFAOYSA-N	320.316	1.500	50	20	DDGD	
CO[C@H](C)CNC(=O)NNC(=O)Cc1c[nH]c2ccccc12	821723127	QUCQVIHVTFTICI-SNVBAGLBSA-N	304.350	1.076	50	20	DDGD	
C/C=C/C=C\C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1	492339204	BTFXJUMRQGPBTR-IAROGAJJSA-N	321.764	1.236	50	20	DDGD	
CCN(CC)CCOCCNC(=O)[C@]1(C)C[C@H]1Br	907351619	GHONYCJNLUBXRV-DGCLKSJQSA-N	321.259	1.635	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@@H]1CC[C@@H](c2ccccc2)C1	584912273	QRRIOLDCAIWKDQ-HUUCEWRRSA-N	309.174	1.889	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H]1CC(c2cc(C)ccc2C)=NO1	900386486	XOBBXDRGDDEFIZ-CYBMUJFWSA-N	304.350	1.147	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NN=Cc1cccc(C#N)c1	495194488	ZMMMUYVVAZCQOR-UHFFFAOYSA-N	316.361	1.923	50	20	DDGD	
Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CC[C@@H](B(O)O)C1	585072811	RUVJSWHEHXQUAN-CYBMUJFWSA-N	313.166	1.178	50	20	DDGD	
CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)NNC(=O)OCC	495666978	CPOKKVDQNSLFSK-AWEZNQCLSA-N	317.386	1.847	50	20	DDGD	
COc1cccc(S(=O)(=O)N2CC=C(C#N)CC2)c1OC	907104550	OPWYFFSGKGVLAJ-UHFFFAOYSA-N	308.359	1.548	50	20	DDGD	
O=C(O)NCC(=O)NNC(=O)c1c(Cl)cccc1Cl	738652974	KOXDMAIGAIVMGD-UHFFFAOYSA-N	306.105	1.022	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](CC)c1ccccc1OC	731281150	WNXWADBAJQJIHK-LBPRGKRZSA-N	309.366	1.513	50	20	DDGD	
COC(=O)C[C@@H]1CCCN1C(=O)[C@@]1(C)C[C@H]1Br	907081626	GTKPRJIEPAEQNY-SBMIAAHKSA-N	304.184	1.714	50	20	DDGD	
N#C/C(=C\c1cnn(CC(F)F)c1)C(=O)NCc1ccco1	491010193	LLSSYLZQDJTINJ-NYYWCZLTSA-N	306.272	1.965	50	20	DDGD	
CC(C)(C)[C@H](NC(=O)c1cccc(B(O)O)c1)C(F)(F)F	584954068	CCJUDPZTOMJKTO-NSHDSACASA-N	303.089	1.073	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=O)NC2CCCC2)C1	900414875	NHUZANNYEGLTKL-BXKDBHETSA-N	305.382	1.349	50	20	DDGD	
CC(C)(C)[C@H](NC(=O)c1cccc(B(O)O)c1)c1ccccc1	584932211	PZWFWJVVRMFWIT-MRXNPFEDSA-N	311.190	1.884	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(C(=O)O)no2)c([N+](=O)[O-])c1	833733590	VRNFULRSWPXRBR-UHFFFAOYSA-N	322.233	1.047	50	20	DDGD	
Cc1noc(C2CC2)c1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	831667248	OVMQVEGTNUOMRE-WCBMZHEXSA-N	308.338	1.438	50	20	DDGD	
CCCCn1cc(CNCc2ccc(B(O)O)cc2F)c(C)n1	585035317	RVVSTKPXSZLQRU-UHFFFAOYSA-N	319.189	1.100	50	20	DDGD	
CC1CCC(N2CCN(C(=O)NNC(=O)C(C)(C)C)CC2)CC1	734529531	OAAKQUCTJOZQSS-UHFFFAOYSA-N	324.469	1.970	50	20	DDGD	
CCc1ccc(C(C)=NNC(=O)[C@H]2CCS(=O)(=O)C2)s1	730576902	NKXFDMCDCOYHMB-JTQLQIEISA-N	314.432	1.585	50	20	DDGD	
CC[C@H](CNCc1ccc(B(O)O)cc1F)Oc1ccccc1	585024576	XWZSKHCPXSORDC-OAHLLOKOSA-N	317.169	1.453	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2(O)CCCCC2)cc1F	837050027	CJPNYEFLLRELMN-UHFFFAOYSA-N	310.325	1.751	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCCC(C)(C)O)c(F)c1	838560774	ZQGVEPDJFKNZBH-UHFFFAOYSA-N	313.329	1.399	50	20	DDGD	
C[C@@H]1OCC[C@]12CN(C(=O)[C@@]1(C)C[C@H]1Br)CCO2	907877051	YTUYGMUBTUZJIQ-LFSVMHDDSA-N	318.211	1.566	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H](C)C[C@H](C)N)c1F	831223712	HJFPAEKVNFZKFT-IUCAKERBSA-N	312.345	1.364	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1ccc(-c2nn[nH]n2)cc1	738137899	UMYBVCAWSWUIJY-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](O)c1ccccc1C(F)(F)F	909999888	JGBYFLPFMIRHAR-SECBINFHSA-N	321.324	1.206	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cn(-c2ccc(Cl)cc2)nn1	732142374	AAQZKUGPDWZGLD-UHFFFAOYSA-N	319.752	1.482	50	20	DDGD	
Cc1nc(C)c(CCNC(=O)NNC(=O)CC(F)(F)F)s1	731123981	UEYBMDPTLKZHSP-UHFFFAOYSA-N	324.328	1.585	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2cccc(C(=O)O)c2)c1	833700794	RYLLYYBERUGVSW-UHFFFAOYSA-N	313.313	1.501	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)C1CN(C2CCCCC2)C1	837452125	QKZZWECHBHTNIW-UHFFFAOYSA-N	316.405	1.036	50	20	DDGD	
COc1ccc(OC)c(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	831063071	SQYHPPVMIGCHPN-MWLCHTKSSA-N	323.349	1.282	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(C)ccc1N1CCCC1	735039050	LDNKHHGNDKDFQN-UHFFFAOYSA-N	304.394	1.949	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)CC(F)(F)F)c1ccccc1	918064386	FZHNSJUXPSJHFU-JTQLQIEISA-N	319.283	1.657	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C(C)(C)C)cc2c1O[C@H](C)C2	917181448	ILGIVCHCXLZIRJ-SECBINFHSA-N	306.362	1.826	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1cccc(Cl)n1	749561464	QXTNWJJXUFNNPV-UHFFFAOYSA-N	323.711	1.714	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H]2CCN(CC(F)F)C2)nc1	841594128	HYQLBUKFMQZJNA-VIFPVBQESA-N	315.324	1.056	50	20	DDGD	
CCCCCC[C@@H](C)CC(=O)NNC(=O)CN1CCCC1=O	913730914	NCZHDIIVGXRZLJ-CYBMUJFWSA-N	311.426	1.753	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2ccc(C#N)cc2)[C@@H](C)[C@H]1C	841583581	UWOGMYPOPJAEBO-WOPDTQHZSA-N	300.362	1.889	50	20	DDGD	
Cc1ncc2n1C[C@H](C(=O)NNC(=O)c1ccc(C#N)cc1)CC2	845342691	XPWBATMJUBXQJZ-CQSZACIVSA-N	323.356	1.087	50	20	DDGD	
COC(=O)[C@H](NNC(=O)[C@@H]1CCO[C@H]1C)c1ccccc1C	843289545	UEWSXKOCEDIIFQ-IACUBPJLSA-N	306.362	1.255	50	20	DDGD	
O=C(CSc1ccc(-c2ccco2)nn1)NNC(=O)C1CC1	845351162	KUMOAMDXGYYEBB-UHFFFAOYSA-N	318.358	1.386	50	20	DDGD	
O=C(NNC(=O)c1ccc(-c2ccco2)nc1O)NC1CC1	743900763	KLOTWPVOVCPITD-UHFFFAOYSA-N	302.290	1.154	50	20	DDGD	
O=C(O)[C@@]1(C(=O)NNc2ncnc3ccsc23)CC=CCC1	846708832	VXYCEYWRWGRGFD-AWEZNQCLSA-N	318.358	1.946	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1cc(C(=O)O)ccc1C	842562938	ZXJAAYNGNWFFFV-YPMHNXCESA-N	304.346	1.958	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)Nc1ccc(C(=O)O)cc1	743444471	NXYVPFYSIRQCNX-UHFFFAOYSA-N	315.333	1.891	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@@H](C)Oc1ccccc1C	745887213	MSLSTIMXXDZASI-GFCCVEGCSA-N	309.366	1.129	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNc2cc(O)nc3ncccc23)O1	913989605	KDGPTSTUMISWIT-KKFJDGPESA-N	302.334	1.592	50	20	DDGD	
COc1ccc(NNC(=O)c2cc([N+](=O)[O-])cnc2O)cc1	746883075	OQTMPLFBSXLBAL-UHFFFAOYSA-N	304.262	1.461	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)CCc1ccc(F)cc1	849304087	NQBDCMVDNSGQTQ-JTQLQIEISA-N	302.371	1.365	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)NCc2ccco2)c2ccccn12	741212574	RNZPJBDJQKTIQQ-UHFFFAOYSA-N	313.317	1.380	50	20	DDGD	
Cn1cc([C@@H]2C[C@H]2C(=O)NNc2nc3ccccc3n2C)cn1	848380478	HDNREAXQBOZJED-NWDGAFQWSA-N	310.361	1.554	50	20	DDGD	
CCc1cccc(C=NNC(=O)[C@@H](C)CN2CCOCC2)c1	844569410	OCGHWRQGDCNYRZ-AWEZNQCLSA-N	303.406	1.667	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=S)N[C@@H](C)C2CC2)C1	912161215	RBCKPMUOIDSEJS-PTRXPTGYSA-N	321.450	1.369	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)c1cccc(Cl)c1)C(C)C	743638911	SRCWABRCZQLPOA-LBPRGKRZSA-N	313.785	1.955	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H]2CC23CCCC3)c1O	747512275	MGGOVFULAAWDKF-NSHDSACASA-N	304.346	1.742	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC1CCN(CC(F)F)CC1	747310471	NWPUUVMZXCCCPK-UHFFFAOYSA-N	306.357	1.092	50	20	DDGD	
CCOC(=O)[C@@H](Cc1ccccc1)NNC(=O)[C@H]1CCCCO1	842151654	WMEYVAQEIFGIRS-HUUCEWRRSA-N	320.389	1.351	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc2nc(C(F)(F)F)cn2c1	910161562	WDKSOOROYMRYOY-MRVPVSSYSA-N	316.283	1.311	50	20	DDGD	
CNC(=O)NN=C1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1	842525763	ZYSYASJHQIOSMD-QWRGUYRKSA-N	310.398	1.938	50	20	DDGD	
C[C@H]1OC(=O)N[C@H]1C(=O)NNc1ccc(C(F)(F)F)cc1	841408528	MAAWCQOHIPSRIG-HZGVNTEJSA-N	303.240	1.645	50	20	DDGD	
O=C(Cn1cccnc1=O)NNc1cccc(Br)c1	748019840	MOABXCMKSOKHNS-UHFFFAOYSA-N	323.150	1.149	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@H]2CCN[C@H](C)C2)cc1F	841990065	XXSHVLJBQTWKST-ZJUUUORDSA-N	324.356	1.379	50	20	DDGD	
C[C@@H](CN)NC(=O)NNC(=O)Cc1ccc2ccccc2c1	841982058	IPBKAXJGNJLUOY-NSHDSACASA-N	300.362	1.060	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=CC1=Cc2ccccc2OC1	748256540	BYAPZHLWJDHHQP-LBPRGKRZSA-N	304.346	1.616	50	20	DDGD	
O=C(NN=Cc1ccc(Br)cc1)C(=O)NC1CC1	744818504	YJZWAWYJKZMACL-UHFFFAOYSA-N	310.151	1.178	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNc2cnnc3ccccc23)C1	746294310	RALMYPHKZGVDEH-LLVKDONJSA-N	313.361	1.331	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2cc(C)no2)cc1OC	845077459	USZKBWIMESYCPR-UHFFFAOYSA-N	319.317	1.004	50	20	DDGD	
N[C@@H]1CCC[C@H](NC(=O)NNC(=O)Cc2ccc(Cl)cc2)C1	841981789	IXHRZZCXDUMIEN-OLZOCXBDSA-N	324.812	1.483	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1(Cc2ccc(F)cc2)CC1	843653424	BYAFALIXZSIGQY-SMDDNHRTSA-N	320.364	1.721	50	20	DDGD	
COC[C@H](C)Oc1ccc(C=NNC(=O)[C@@H]2CCO[C@H]2C)cc1	853366731	QEPQQRWKCPSYII-HEHGZKQESA-N	320.389	1.975	50	20	DDGD	
COc1ccc(OCC(=O)NN=C2CCCN(C)CC2)cc1	758096728	UWAQWKYEJKPLRB-UHFFFAOYSA-N	305.378	1.662	50	20	DDGD	
C[C@H](C(=O)NCCCSC#N)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	854363381	YAMLZORUJFUACK-WOPDTQHZSA-N	323.418	1.271	50	20	DDGD	
CC(C)(C)c1nc(CC(=O)NNC(=O)c2cc[nH]n2)cs1	855358180	AVLQTFQTBRCGMP-UHFFFAOYSA-N	307.379	1.167	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCCn1cnc2ccccc21	920822451	RYKNAQKTJQIHRC-UHFFFAOYSA-N	317.393	1.947	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cccc(CS(C)(=O)=O)c1C	756615177	WRKZYGGGOQYYTO-UHFFFAOYSA-N	313.379	1.102	50	20	DDGD	
CC(=O)N[C@@H]1CCN(C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	856893486	NVGWGYAHEMHKPM-JFGNBEQYSA-N	318.215	1.080	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NC[C@@]2(C)C[C@H]2Br)nn1	857390885	IJSWRQUCWFVUSX-BXKDBHETSA-N	315.215	1.936	50	20	DDGD	
O=C(CN1CCc2ccccc21)NNC(=O)c1ccccc1F	754340495	BEHYGJHWXYHUAX-UHFFFAOYSA-N	313.332	1.649	50	20	DDGD	
CCCNC(=O)CN(CCC)C(=O)NNC(=O)C1CCCC1	753345563	QFBPWEMMRAJTRC-UHFFFAOYSA-N	312.414	1.156	50	20	DDGD	
CS/C=C\C(=O)NNC(=O)c1cc(-c2ccccc2)on1	751571155	TYVVWVQILVJIBX-FPLPWBNLSA-N	303.343	1.979	50	20	DDGD	
COc1cccc(C(=O)NNc2ccnc(N(C)C)n2)c1C	857133020	RLKIGLOSAQYUNF-UHFFFAOYSA-N	301.350	1.617	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1c(O)nc2ccccc2c1C	750302602	OBOJRMGKEADNJS-UHFFFAOYSA-N	316.386	1.544	50	20	DDGD	
CC(C)CCn1ccc(NC(=O)NNC(=O)c2cnccn2)n1	757715149	KFAZGIXUQFLJSM-UHFFFAOYSA-N	317.353	1.186	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)COc1cc(C)ccc1C)C1CC1	858130184	BHGPDFOPTQBCDY-INIZCTEOSA-N	320.389	1.645	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(C)ccc1Br	854923241	NVSVCQCOSKPIDV-UHFFFAOYSA-N	316.224	1.838	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)Cc2cc(C)[nH]n2)C[C@@H]1C	758098661	SLEYMTZBNKGKFN-HZMBPMFUSA-N	320.393	1.732	50	20	DDGD	
CCOC(=O)N1CSC[C@H]1C(=O)NNc1ccnc(F)c1	935307316	LDMOUJAVKWMFGZ-VIFPVBQESA-N	314.342	1.195	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=O)c2cccc(C#N)c2)C1	857856602	MTPKIZJROYWZMZ-HZMBPMFUSA-N	323.356	1.408	50	20	DDGD	
COc1ccc(NNC(=O)Cc2ccc(-n3cnnc3)cc2)nc1	857490070	JFSATZFKZPMXAF-UHFFFAOYSA-N	324.344	1.357	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNc2ccc(C)c(F)c2)c(=O)n1	856229875	ABVAWBPALUHQPK-UHFFFAOYSA-N	304.325	1.451	50	20	DDGD	
CC(C)(CCO)CNC(=O)NC[C@@]1(C)C[C@@H]1Br	856956448	PNBPVPYXRLEHPJ-JOYOIKCWSA-N	307.232	1.868	50	20	DDGD	
O=C(NCCc1cccc([N+](=O)[O-])c1)NNc1cccnn1	758968433	FTYPZRZBOZVVOK-UHFFFAOYSA-N	302.294	1.254	50	20	DDGD	
C[C@]1(CNC(=O)NCC2=CCCOC2)C[C@H]1Br	856858071	PHLOBDUKLXXAGK-ZYHUDNBSSA-N	303.200	1.806	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)Cc2cn3ccccc3n2)c1C	755752402	FSZMIGAQRSDZCI-UHFFFAOYSA-N	324.388	1.860	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCc1nnc(C2CC2)o1	867132205	WCEDZNYYUIKLAX-UHFFFAOYSA-N	307.803	1.631	50	20	DDGD	
Cc1nc([C@H]2CCN(S(=O)(=O)CC(C)(C)CCl)C2)n[nH]1	867407962	RXCDURYORFTMIR-JTQLQIEISA-N	320.846	1.497	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C2CCC(OC3CCCC3)CC2)N1	863149913	IQHGYDZZUUKJCT-ARLHGKGLSA-N	307.394	1.639	50	20	DDGD	
CSCC[C@H](NC(N)=O)C(=O)N(C)CC(Cl)Cl	861734321	BYPKDFWFPPYNSW-LURJTMIESA-N	302.227	1.039	50	20	DDGD	
CCc1cccnc1C(=O)NNc1nc(-c2cccnc2)no1	766881849	FWLMLESONAVYED-UHFFFAOYSA-N	310.317	1.846	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cc(-c2ccncc2)on1	760912456	XBULPGWBQHAZFS-UHFFFAOYSA-N	300.253	1.423	50	20	DDGD	
O=C(NC[C@@H]1CCCS1(=O)=O)NNc1ccc(F)cc1	767172889	HLVFQOAHFFMKSL-NSHDSACASA-N	301.343	1.029	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(F)c(Cl)c1)N1C(=O)CCC1=O	863078641	IWLHKLRUPSIBKA-SSDOTTSWSA-N	313.716	1.460	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O)C(F)(F)F	862307550	MUBRXIULNXMEOB-KVQBGUIXSA-N	321.221	1.015	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNC(=O)CCc1ccccc1O	863867001	QUEYIGUYFBEDPY-AWEZNQCLSA-N	308.378	1.677	50	20	DDGD	
COC(=O)c1csc(/C=C(/C#N)S(=O)(=O)NC2CC2)c1	865223060	DNKLJAISOGMDLL-WZUFQYTHSA-N	312.372	1.481	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1cccc(Cl)c1	862455722	QDLKBAOOQYCPDK-NSHDSACASA-N	323.780	1.044	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)CCCC(C)=O)c1	768648855	FDKAMIKWWAJXKC-UHFFFAOYSA-N	308.334	1.224	50	20	DDGD	
O=C(N[C@H]1C[C@@H](CO)C1)[C@@]12CC[C@@H](C[C@@H]1Br)C2	869872948	WGUGWVWHUJFBNN-XPORZQOISA-N	302.212	1.827	50	20	DDGD	
COc1nc(N(C)C)sc1C=NNC(=O)c1ccc(N)cc1	767037099	KPRWNHSXNZPPOV-UHFFFAOYSA-N	319.390	1.564	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1C2CCC1CC2	766841180	QDLDPKUWWBXURD-UHFFFAOYSA-N	301.390	1.312	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc([S@@](C)=O)c(F)c1	878814815	VCZZSSUKFLOCKU-HXUWFJFHSA-N	303.315	1.298	50	20	DDGD	
CCc1cccc(OCC(=O)NNc2nccnc2OC)c1	764481035	ATKAAGWHBLACTN-UHFFFAOYSA-N	302.334	1.570	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)C(=O)NNc1ccc(C(C)(C)C)nn1	1117939517	VLMBVTIMLBEEJZ-NSHDSACASA-N	316.409	1.830	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H](c1ccsc1)N(C)C	875071205	GIFVLVIFVGQITL-JTQLQIEISA-N	300.384	1.263	50	20	DDGD	
CO[C@H](C)[C@@H](C)NC(=O)NNC(=O)c1nc2ccccc2s1	873018952	RVNYZJLGNHBLAU-RKDXNWHRSA-N	322.390	1.664	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)NNC(=O)Cc1cc[nH]n1)C(F)(F)F	772537484	MEVGGZHWMMTPRS-XVKPBYJWSA-N	321.303	1.260	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2coc(C3CC3)n2)nc1	777278780	YLRXPWSNNNPBSD-UHFFFAOYSA-N	302.290	1.491	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C#N)c(Cl)c1	778543195	LDQUUNISZRYYBL-QMMMGPOBSA-N	323.736	1.314	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NNc1ncncc1Cl	879662013	ODYYIQNZTBPYAN-CPCISQLKSA-N	306.757	1.662	50	20	DDGD	
CN1C(=O)CC[C@@H]1C(=O)NNc1cccc(C(F)(F)F)c1	771631263	SXCWNDRLRPSFGG-SNVBAGLBSA-N	301.268	1.769	50	20	DDGD	
Cc1nn(C)c(C)c1OCC(=O)OC[C@@H](C)CBr	770396311	JYLXBXBWENIAIS-QMMMGPOBSA-N	319.199	1.990	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2C[C@H]3COC[C@H]3C2)cc(C#N)n1C	872320692	IIMUACUZZBKLLQ-VAKQXTAXSA-N	310.357	1.217	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2CCCN2C)cc1C	873763694	GVKVBZAGHNOPQA-CYBMUJFWSA-N	306.435	1.715	50	20	DDGD	
CCOc1cnc(C(=O)NNC(=O)c2ccccc2C)cn1	777761746	ANJLDRSYYBHINN-UHFFFAOYSA-N	300.318	1.259	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1ccc(-n2cnnn2)cc1	775284494	ZCUDUCRGKXUAJZ-UHFFFAOYSA-N	323.316	1.129	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCCOC[C@H]1CCCO1	771323494	JZGBNGNBTGOCCP-GFCCVEGCSA-N	311.357	1.956	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc2cc[nH]c2c1	772011590	WGJDXNCPKDMFHM-SECBINFHSA-N	303.318	1.271	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cc(N)nc(Cl)c1	772846158	ZLXWKQKGRBHPLG-UHFFFAOYSA-N	306.757	1.988	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CC[C@H]1CCCO1	771997872	PMJSRIYUBBZKOV-VXGBXAGGSA-N	314.382	1.071	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)C(=O)NCc2ccc(Cl)cc2)CN1C	771562711	QWCHAIIPMAQMRS-SNVBAGLBSA-N	322.796	1.152	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H]1COCCN1S(=O)(=O)CCCCl	882030887	YNZAGHRXIJMFSS-LLVKDONJSA-N	321.830	1.359	50	20	DDGD	
C=CC(C)(C)CC(=O)OCC(=O)NNC(=O)c1ccccc1	884652892	JXNUUQPYSSVFFL-UHFFFAOYSA-N	304.346	1.593	50	20	DDGD	
Cn1nnnc1SCCC(=O)NNc1cc(F)ccc1F	885144921	OFIQCNPOGCIQFN-UHFFFAOYSA-N	314.321	1.114	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(OCC(F)F)nc1	887145876	VSUSQQUMIQJGCE-UHFFFAOYSA-N	311.288	1.290	50	20	DDGD	
Cc1cnc(NC(=O)C(=O)NNc2ccc(C#N)cc2)s1	782124702	SQZLHZDHPSOXPG-UHFFFAOYSA-N	301.331	1.405	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)[C@@H]1C[C@H]1c1cccc(F)c1	882678605	FDTTYHUOWAJSNL-NWDGAFQWSA-N	314.382	1.678	50	20	DDGD	
Cn1ncc(Cl)c1C=NNC(=O)Cn1cnc2ccccc21	780195949	GIBLWCQBNNMJSY-UHFFFAOYSA-N	316.752	1.574	50	20	DDGD	
O=C(NC[C@H]1CCC[C@@H]1C1CC1)NNC(=O)C1CCOCC1	883689909	XJYOXXFGZQKHFK-ZIAGYGMSSA-N	309.410	1.570	50	20	DDGD	
COc1ccnc(NNC(=O)C(C)(C)C2CCC(O)CC2)n1	788280044	JMMIFMFZFQTNSO-UHFFFAOYSA-N	308.382	1.506	50	20	DDGD	
Cc1cc(=NC(=O)NNc2cc(Cl)nc(N)n2)c(C)c[nH]1	789169577	FHPKZGOLDFWKRM-UHFFFAOYSA-N	307.745	1.295	50	20	DDGD	
NC(=O)c1ccccc1C=NNC(=O)COc1ccc(F)cc1	788704109	LFVCFNKIHAUKKO-UHFFFAOYSA-N	315.304	1.454	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2ccc(-n3ccnc3)nn2)cc1	788178882	VWOWNVLOGVRBES-UHFFFAOYSA-N	305.301	1.291	50	20	DDGD	
COCCCNC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1ccccc1	785376667	PDMWXXSBUADHPI-WZMONFQBSA-N	316.357	1.678	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNc2ncncc2Cl)cc1	781825191	ZXFWNBAYGLFURW-UHFFFAOYSA-N	305.725	1.845	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNc1ccccc1S(C)(=O)=O	793681238	IJPKAIQISONCKV-WDEREUQCSA-N	324.402	1.539	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)n1	794751763	NRMVQFGYFDCQJQ-UHFFFAOYSA-N	314.301	1.585	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)c2cnn(C)c2)[C@H](n2cncn2)C1	794516107	YOYVUHUWMJDMAQ-GXFFZTMASA-N	301.354	1.159	50	20	DDGD	
CC[C@@H](CN1CCCC1)NC(=O)NNc1nc2ccccn2n1	790423073	DWWJTCDGLQRCSQ-LBPRGKRZSA-N	317.397	1.230	50	20	DDGD	
Cc1c(C(=O)NNc2ccccn2)nnn1CC1CCCC1	790013988	OUGVLZFARBRHSM-UHFFFAOYSA-N	300.366	1.929	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1c[nH]nc1-c1ccoc1	790752187	LSSRGKVEOVELCV-UHFFFAOYSA-N	310.277	1.093	50	20	DDGD	
Cn1ccnc(NNC(=O)CCc2cnc3ccccc3c2)c1=O	792647976	KTKIIICCEDQSQU-UHFFFAOYSA-N	323.356	1.404	50	20	DDGD	
C[C@H](CBr)COC(=O)COCc1ccnn1C	792497562	IMGRKTSITBYLKZ-SECBINFHSA-N	305.172	1.511	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2cc(Cl)cc(F)c2O)CC1	790173500	HTOYZTPZNAGDAS-UHFFFAOYSA-N	314.748	1.476	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)C[n+]1ccccc1)CCO2	1318298419	KZQJGOWLRUQMSQ-UHFFFAOYSA-O	312.349	1.286	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cnn(C2CCCCC2)c1	1318389555	UUZZMMCABCVFKK-UHFFFAOYSA-N	321.381	1.075	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNC(=O)c1ccc(OC)cc1	1319535598	COHCGZBNEHTRKZ-UHFFFAOYSA-N	321.377	1.105	50	20	DDGD	
COC(=O)C(=O)NN=C1C(=O)N(CCC(C)C)c2ccccc21	1318902740	ITNUDWWGWLAAJE-UHFFFAOYSA-N	317.345	1.073	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@H](CC(C)C)OC)cc1	1325338874	NMUXBZSDVFEYLR-AWEZNQCLSA-N	323.393	1.700	50	20	DDGD	
CN(C)CC(=O)NN=Cc1cn[nH]c1-c1ccc(Cl)cc1	1320193418	AUZRRNHXICGMMH-UHFFFAOYSA-N	305.769	1.742	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccc(OC)cc1Br	1325845672	LVLANKHUBMFFFE-UHFFFAOYSA-N	315.123	1.081	50	20	DDGD	
CCc1cc(C(=O)NNc2cccc(Br)n2)nn1C	1325525919	OYGAWLVISMXBRH-UHFFFAOYSA-N	324.182	1.897	50	20	DDGD	
Cn1cc(C=NNC(=O)CCO)c(-c2cc3ccccc3o2)n1	1252557178	ANJQRSVFYPANHB-UHFFFAOYSA-N	312.329	1.666	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NNc1ccc(C(C)(C)C)nn1	1331867100	BHMQUAFPXCBIAN-GHMZBOCLSA-N	314.393	1.754	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C1CCNCC1)[C@H]1C[C@H]2CC[C@H]1C2	1345130221	TVCHXQMKFHARDI-UVLXDEKHSA-N	308.426	1.141	50	20	DDGD	
CC[C@H]1c2ccccc2CN1C(=O)NNC(=O)c1cccnn1	1263153385	LKERIPJWUZZLRU-AWEZNQCLSA-N	311.345	1.798	50	20	DDGD	
Cn1cnc(C(=O)OC[C@@]2(C)C[C@@H]2Br)cc1=O	1348960420	BHZXNRORNPXRFL-GZMMTYOYSA-N	301.140	1.111	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccn(CCC(F)(F)F)n1	1263771454	GUMCQKKYDZHPTA-UHFFFAOYSA-N	318.234	1.522	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)CC1CCNCC1	1524113114	VDSBEXNIVQGYCQ-UHFFFAOYSA-N	312.845	1.810	50	20	DDGD	
COc1cc(F)c(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(F)c1	1521452349	JNBNYMOPSLTGDS-CBAPKCEASA-N	314.288	1.159	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)[C@@H]2Cc3cccnc3C2)cc1	1608780351	GHCLUNFVDVAHAI-CYBMUJFWSA-N	311.341	1.567	50	20	DDGD	
Cc1c(NNC(=O)c2ccnn2CC(F)F)cccc1C(=O)O	1600054125	KGQUXXQPVLJMCU-UHFFFAOYSA-N	324.287	1.912	50	20	DDGD	
Cc1c(C(=O)O)cc(CNC(=O)NNc2ccc(F)cn2)n1C	1607515426	MMZUERMXJLDWLQ-UHFFFAOYSA-N	321.312	1.392	50	20	DDGD	
O=C(O)C(=O)NN=C1CCOc2c(Cl)cc(Cl)cc21	1601638097	QFJSDBHZKPZUDB-UHFFFAOYSA-N	303.101	1.681	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(C(=O)O)c1)N1CCSCC1	1603173451	LUVHJGKJLQKWCN-SNVBAGLBSA-N	309.391	1.265	50	20	DDGD	
O=C(NNC(=O)C12CCC(C(=O)O)(CC1)CC2)c1cccnc1	1608477220	GVBWNLCRPKSJLG-UHFFFAOYSA-N	317.345	1.268	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(F)c1C(=O)O)c1ccnn1C	1603173353	IOFKHEIACLHQMJ-MRVPVSSYSA-N	306.297	1.504	50	20	DDGD	
NCC[C@@H](NC(=O)NNc1cccc(C(=O)O)c1)C(F)(F)F	1610644305	PAFRUMHOYMSBOZ-SECBINFHSA-N	320.271	1.291	50	20	DDGD	
O=C(NN=C1CCC[C@@H](C(=O)O)C1)c1ccc2c(c1)OCCO2	1610699247	OPEGLJQMBFBVMO-LLVKDONJSA-N	318.329	1.818	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@H]1C(=O)NN=CC1CCOCC1	1549310035	KSYLLGSETSELDT-KGLIPLIRSA-N	320.393	1.416	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCCO1)[C@H](F)Cl	1801918752	PIURYBAFYJNTMI-OSUNSFLBSA-N	318.776	1.338	50	20	DDGD	
CC(C)[C@H](N)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	1573525720	FVGGPNFACPNUMR-JTQLQIEISA-N	321.349	1.109	50	20	DDGD	
C[C@@H](N)CC(=O)NNc1ccccc1I	1579401232	OVQVYWNNMGFCCR-SSDOTTSWSA-N	319.146	1.472	50	20	DDGD	
Cn1c(=NNC(=O)[C@H]2CCCC[C@H]2N)sc2ccccc21	1579940306	ZOEKIWDQUXOVAI-WDEREUQCSA-N	304.419	1.689	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(CCN2CCNCC2)C1	1575262879	NGNWQNHYYYTNIO-HNNXBMFYSA-N	313.562	1.988	50	20	DDGD	
CC[C@H](C)Oc1ccc(C(=O)NNC(=O)[C@@H]2CCCNC2)cc1	1577003760	NZRQMEWDQYRVEY-GXTWGEPZSA-N	319.405	1.625	50	20	DDGD	
CC(C)C[C@H](CNC(=O)NNC(=O)OC(C)(C)C)CC(=O)O	1573536488	FQSDJYFVZJPMDS-JTQLQIEISA-N	317.386	1.862	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@](C)(CN)CC(C)C	1579297043	PUIOBGASMVSAHG-MRXNPFEDSA-N	307.394	1.467	50	20	DDGD	
CCN(C)[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1845747165	SDIJFGDGKVFIBY-QWRGUYRKSA-N	319.808	1.064	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](C)COC)C2	1845163149	IMSVTSUFUQXNFL-NWDGAFQWSA-N	316.829	1.490	50	20	DDGD	
COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)C(C)C)C2	1846361126	ALIVRUCZFREONB-LLVKDONJSA-N	302.802	1.100	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H](N)c2c(F)cccc2F)cc1	1580069508	AJYNWCNVXOVPCA-AWEZNQCLSA-N	302.284	1.980	50	20	DDGD	
O=C(C1CCCC1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843363379	ZHHHHBAUQSPHQG-NSHDSACASA-N	302.777	1.914	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)ccc1C(=O)NNc1ncccc1F	1591863347	SOPHUGDTXYMBNB-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	1599376171	MCBAFMLVWDGHRC-CKYFFXLPSA-N	306.318	1.404	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cccc(C(=O)O)c2)o1	1598960099	RWVXNWPYEIMZGZ-UHFFFAOYSA-N	304.258	1.521	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2ccc(F)c(C(=O)O)c2)CCOC1	1594021009	YPVZQEATVPWPAR-AWEZNQCLSA-N	311.313	1.577	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1)N(C)C	1590369401	ZSCQXGPQINLWCQ-NSHDSACASA-N	323.788	1.303	50	20	DDGD	
CO[C@]12CCC[C@@]1(C(=O)NNc1ccc(C(=O)O)cn1)CCO2	1599327284	HWQWFGSHQPQSTF-GJZGRUSLSA-N	321.333	1.156	50	20	DDGD	
CC[C@@H](C)C(=O)NN=C1CCCc2cc(-c3nn[nH]n3)cnc21	1590393939	NRYJKQMXSCCMPU-SECBINFHSA-N	313.365	1.464	50	20	DDGD	
O=C(NN=C1CC(C(=O)O)(c2ccccc2)C1)c1ccnnc1	1776081387	MHDRWJAEYGXIIF-UHFFFAOYSA-N	310.313	1.379	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc(C(=O)O)c(OC)c1	1776118234	XBLKEIJBSAPADL-XFFZJAGNSA-N	304.302	1.063	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1	12021882	PWUVMZJOTTUOQN-UHFFFAOYSA-N	303.249	1.809	50	20	DDGD	
C[C@H]1OCC[C@@H]1SCC(=O)NNC(=O)c1cccs1	163519088	KYTBLPPYOWNGIF-BDAKNGLRSA-N	300.405	1.420	50	20	DDGD	
Cc1ccc(NNC(=O)NCCc2nc(C)c(C)s2)nn1	151124021	FEBITVBWLZTCQU-UHFFFAOYSA-N	306.395	1.727	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)C(=O)Nc1ccccn1)C(C)(C)C	151885704	RDTFPRJCTOFYKS-KTKRTIGZSA-N	304.350	1.160	50	20	DDGD	
CS[C@@H](C)CC(=O)NNC(=O)c1cc(Br)c[nH]1	156187688	CLZHTJBDIUHSAK-LURJTMIESA-N	320.212	1.680	50	20	DDGD	
CS(=O)(=O)N1CCCC[C@H]1C(=O)NNc1cccc(F)c1	154323084	ZBNYVUWPHJJEQZ-LBPRGKRZSA-N	315.370	1.083	50	20	DDGD	
O=C(NCCCSc1nccs1)NNc1ncccn1	154554416	XTLJEYJJQZNFNU-UHFFFAOYSA-N	310.408	1.742	50	20	DDGD	
COc1ccc(NNC(=O)c2cnn(-c3ccccc3)n2)nc1	159074769	FQXDRJFOQCQQJW-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
C[C@@H](NS(=O)(=O)c1ccc(CCl)cc1)c1ncnn1C	914424552	IZQXNBLVWZTHLP-SECBINFHSA-N	314.798	1.593	50	20	DDGD	
O=S(=O)(N[C@@H]1CCC[C@H]1O)c1ccc(CCCl)cc1	323378710	OWZODRQIXWQSRJ-CHWSQXEVSA-N	303.811	1.660	50	20	DDGD	
CSSCCNC(=O)N1CCSC[C@@H](C(=O)O)C1	1599804782	UOQYPRHDNIUJRU-QMMMGPOBSA-N	310.466	1.457	50	20	DDGD	
COCc1cccc(C(=O)NNC(=O)Cn2nc(C)cc2C)c1	8300752	JGNOWGSROGGPKW-UHFFFAOYSA-N	316.361	1.108	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CC1	9889583	GKRQADVJMRBIMN-UHFFFAOYSA-N	316.144	1.033	50	20	DDGD	
O=C1NC(=O)c2ccccc2/C1=C/c1cnn(CCCl)c1	103250409	POUPPQVOFPHBMP-QPEQYQDCSA-N	301.733	1.933	50	20	DDGD	
Cc1ccc(C)c(CC(=O)NNC(=O)NCc2ccco2)c1	102752464	KRVIPQQROZWIFA-UHFFFAOYSA-N	301.346	1.970	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)Cc2cccnc2)c(F)c1	105388652	AVKDWZTXPOEOFJ-UHFFFAOYSA-N	323.349	1.081	50	20	DDGD	
CC(C)NC(=O)/C(C#N)=C/c1ccc(OCCC(=O)O)cc1	58984190	BDZKJSMNZUUFJU-UKTHLTGXSA-N	302.330	1.972	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1cnn(C)c1)c1cccc(F)c1	117682230	PGHBFQWNXMAKLF-SNVBAGLBSA-N	304.325	1.514	50	20	DDGD	
CCCN(CC(=O)NNC(=O)C1CC1)Cc1ccccc1O	112979388	AKPCQOJGCOABKY-UHFFFAOYSA-N	305.378	1.162	50	20	DDGD	
CC(=O)NNC(=O)c1cccc(OCc2csc(C)n2)c1	53162143	GEAPIKDQPMOQHZ-UHFFFAOYSA-N	305.359	1.811	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cnc2ccc(F)cc2c1	179018557	XBTUMRLAQWYRQI-UHFFFAOYSA-N	324.315	1.773	50	20	DDGD	
CSCCNC(=O)NNC(=O)NCc1ccc(Cl)cc1	112714555	MUPPFBQEGWEOLQ-UHFFFAOYSA-N	316.814	1.716	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cc(F)ccc2O)cc1	177003391	TVYWWBOLXCUYAE-UHFFFAOYSA-N	317.320	1.713	50	20	DDGD	
CCN(CC)c1ccc(C(=O)NNC(=O)N2CCOCC2)cc1	27338184	KXUDMEUDYGATPI-UHFFFAOYSA-N	320.393	1.219	50	20	DDGD	
C[C@H]1c2cccn2CCN1CC(=O)NNC(=O)c1ccccc1	170744327	PMBDMGAYPIAVSJ-ZDUSSCGKSA-N	312.373	1.326	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CNC(=O)C(C)(C)C)c1ccccc1	110964532	QSMNRPOEYVYEPT-ZDUSSCGKSA-N	319.405	1.490	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@@H](C)C[C@H](C)O	175136785	XFJKZZNSJMHZOC-UWVGGRQHSA-N	301.818	1.876	50	20	DDGD	
C[C@@H](Oc1cccnc1)C(=O)NNC(=O)c1cccc(C#N)c1	117651160	BSETUSIOTUBDDN-LLVKDONJSA-N	310.313	1.182	50	20	DDGD	
Cc1nn(C)cc1C(=O)NNC(=O)c1ccc2ccccc2c1	113151344	VYHGXXWTHZACJK-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1ccc[nH]1)Oc1cccc(F)c1	176098447	ASXKMYHNMZHFBQ-JTQLQIEISA-N	320.324	1.565	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@]1(C)CC(C)(C)OC1=O	1347521519	KCBDEVKRBPLCPC-MRXNPFEDSA-N	319.361	1.423	50	20	DDGD	
Cc1[nH]c(C=O)cc1C(=O)NNC(=O)c1ccccc1Cl	1340107385	ZNRBIDLKXGQCOO-UHFFFAOYSA-N	305.721	1.864	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)N1CCOCC1)c1ccccc1Cl	170757611	PBVPAMHEOROOKS-ZHACJKMWSA-N	323.780	1.816	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1	61473627	YAXDVLZOWOITTN-HNNXBMFYSA-N	307.309	1.323	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(C)n(C(C)(C)C)n2)n1	174480379	OPTCHTPTWKYNAG-UHFFFAOYSA-N	318.381	1.810	50	20	DDGD	
CC(C)(CO)CCCNC(=O)NNC(=O)c1cccc(C#N)c1	122613635	RFVXRVSZQGVOQM-UHFFFAOYSA-N	318.377	1.301	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNc1cccc(S(C)(=O)=O)c1	182152710	GYVXBHQOYPKZAZ-ZDUSSCGKSA-N	300.380	1.084	50	20	DDGD	
COc1cc(C)c(NC(=O)NNC(=O)c2cccn2C)cc1F	186788811	VUFRVOIHDZQMNA-UHFFFAOYSA-N	320.324	1.948	50	20	DDGD	
NC(=O)c1ccc(F)c(NS(=O)(=O)CCCCCl)c1	184763370	UGXQLURQTIGQDX-UHFFFAOYSA-N	308.762	1.685	50	20	DDGD	
COc1ccncc1NC(=O)C(=O)NNc1c(C)cccc1F	187448013	ORCDEEXNWAYKPB-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@H](C)c2nccs2)o1	184288793	ZGSDHMOPXUCYBK-MRVPVSSYSA-N	308.363	1.792	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc(Cl)cc1F	48654839	BRHOLMUUIZLQRL-ZETCQYMHSA-N	308.762	1.835	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)c1c[nH]nc1C1CC1	190307849	FEAJUBCGGNHPOC-UHFFFAOYSA-N	323.356	1.703	50	20	DDGD	
O=C(NNc1ccccn1)Nc1ccc(N2CCOCC2)cn1	194888003	WMDFJNRCEDHSEU-UHFFFAOYSA-N	314.349	1.462	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@@H](C)NC(=O)C2CCCC2)o1	84373624	VOZKKXLTIUJJPU-SNVBAGLBSA-N	321.377	1.434	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1cc(C2CC2)[nH]n1	44849733	BIIUBKIIHNGPCL-UHFFFAOYSA-N	318.308	1.266	50	20	DDGD	
COC(=O)c1ccsc1N1CC[C@@H](NC=C(C#N)C#N)C1=O	83015099	WHZASJXTPBGWJW-LLVKDONJSA-N	316.342	1.161	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ncc(F)cc2F)cc1	191997227	QIYCXHBIRVXJGH-UHFFFAOYSA-N	302.240	1.306	50	20	DDGD	
CCOCCNC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	45645124	UAHCENYXFOBUOV-UHFFFAOYSA-N	323.437	1.960	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc([N+](=O)[O-])c1)N(C)CC(F)(F)F	193631440	FLDGJHMTAAZJOG-QMMMGPOBSA-N	320.271	1.921	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)c2cnn(C)c2)ccc1C	194148121	VNKPTIJYYPXQHF-UHFFFAOYSA-N	300.318	1.006	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccccc1SCC(N)=O	142598923	MOAAQOMYECEAAK-UHFFFAOYSA-N	324.406	1.008	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)N[C@H]1CCCSC1	267297428	JSZYENKADRANKU-LBPRGKRZSA-N	311.382	1.594	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NNC(=O)CC(C)(C)C	264570062	ILPILBBAHOVPDS-UHFFFAOYSA-N	322.365	1.107	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccn(C(C)C)n2)c(O)c1	265093888	UWZYPKQRHYLILE-UHFFFAOYSA-N	302.334	1.553	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNc1nccnc1Cl	265185877	RAMLVGVRHYSREK-UHFFFAOYSA-N	315.761	1.488	50	20	DDGD	
CCOc1cc(CNC(=O)NNC(=O)C2CCC2)ccc1OC	265148899	ODLHXVAZMIHXJH-UHFFFAOYSA-N	321.377	1.724	50	20	DDGD	
O=S(=O)(CBr)N1CCOC[C@@H]1c1ccccc1	363691928	UMMTXKWNQPDJAT-LLVKDONJSA-N	320.208	1.742	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)C(=O)N1CCC(C)CC1	274530183	UJJZWQYOLGGXBJ-UHFFFAOYSA-N	303.362	1.015	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNc2ncnc3nc[nH]c23)C1(C)C	274939405	NJBZJKDBSUAXQF-ZJUUUORDSA-N	316.365	1.437	50	20	DDGD	
COc1cccc(NNC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)n1	276285847	NGJDBNCUJVXUFD-SMDDNHRTSA-N	317.349	1.045	50	20	DDGD	
N#CCCCCNC(=O)NNC(=O)CSc1ccccc1O	270660908	OFZFWEPEFUHERW-UHFFFAOYSA-N	322.390	1.509	50	20	DDGD	
CCOC(=O)NCC(=O)NNc1ccccc1OC(F)(F)F	275249489	QBAMTXAYKOGGOZ-UHFFFAOYSA-N	321.255	1.774	50	20	DDGD	
COCC[C@@H](NC(=O)NNC(=O)c1ccc[nH]1)c1ccc(C)o1	272483548	JQZWRRZTTHKLRP-LLVKDONJSA-N	320.349	1.638	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2ccccc2)C[C@H](C2CC2)O1	279592733	HUXMZEITHQROTG-SMDDNHRTSA-N	303.362	1.540	50	20	DDGD	
O=C(CN1CCOCC1)NNc1cc(Cl)cc(Cl)c1	276852289	LBVWZKWEOVADAB-UHFFFAOYSA-N	304.177	1.769	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@]12CCOC2)c1cccc2ncccc12	375182136	JPEFEJVKLROJPF-SUMWQHHRSA-N	311.341	1.422	50	20	DDGD	
C=C(CBr)CN1CCN(c2ncc(F)cn2)CC1	279707362	KNNCDKRJJNEJBS-UHFFFAOYSA-N	315.190	1.689	50	20	DDGD	
C[C@H](NC(=O)NNc1ncccc1F)C(=O)N1CCCC[C@@H]1C	287703772	FXHKQHCWAMTNSU-QWRGUYRKSA-N	323.372	1.636	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1CCc2cc(C)ccc2O1	280268091	ONTGBZHVHDIGMN-ZDUSSCGKSA-N	314.345	1.631	50	20	DDGD	
O=C(NCCCNC(=O)C1CCC1)NNc1cccc(F)n1	286654452	LCOPJHOWGBDFOK-UHFFFAOYSA-N	309.345	1.153	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@H]2CCOC[C@H]2C)s1	286972240	RVRLWCUBLPQBEF-MWLCHTKSSA-N	311.407	1.673	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)N[C@H](C1CC1)C(F)(F)F	288829447	MYEQRQNKNUZTBS-SNVBAGLBSA-N	317.267	1.677	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)CC(C)C)cc1OC	280477730	KDLRJLSKSLRVTB-UHFFFAOYSA-N	323.349	1.681	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)c(C)nn1	803439361	CDGRDSOPGKVNQJ-UHFFFAOYSA-N	309.329	1.692	50	20	DDGD	
CCCN(C)CC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802117522	SFHJTFAFQWLHHH-UHFFFAOYSA-N	307.398	1.247	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)COc1cc(C)cc(C)c1	294438335	RWVOTTOAYFTVGF-AWEZNQCLSA-N	308.378	1.645	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NOCC1CC1	297510351	WDHCGLWEWSYLRP-VIFPVBQESA-N	311.313	1.265	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2cc3occc3s2)CC1	807380617	KVACEDNEGAIPQK-UHFFFAOYSA-N	308.363	1.096	50	20	DDGD	
COc1cn(-c2ccccc2)nc1C(=O)NNC(=O)CC1CC1	294152134	MKNIIDXQFIVOIB-UHFFFAOYSA-N	314.345	1.442	50	20	DDGD	
CC[C@@H](C)[C@H](CNC(=O)NNc1nc(C)cc(OC)n1)OC	297779819	MAWGXYKAQPVZGT-KOLCDFICSA-N	311.386	1.481	50	20	DDGD	
C[C@H](C(=O)NNc1cc(C(F)(F)F)ccn1)n1cncn1	295413076	SMQKJGLOQJFEES-SSDOTTSWSA-N	300.244	1.396	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc2nnc(C(C)C)n2c1	801741443	LGZXRFLDPSSTDZ-UHFFFAOYSA-N	319.369	1.551	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cn(C)nc1C1CC1	291672981	GPLHBWXHIXOFKE-UHFFFAOYSA-N	314.345	1.381	50	20	DDGD	
COCc1ncsc1C(=O)NNC(=O)Nc1ccccc1	803396211	NDQVENLISLHRKT-UHFFFAOYSA-N	306.347	1.756	50	20	DDGD	
CC(C)C(Cn1cccn1)=NNC(=O)c1ccnc(N(C)C)c1	802711707	WJZRIPMQMANQPV-UHFFFAOYSA-N	314.393	1.786	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@H]1CCCC12OCCO2	807117909	AJLSJEXTKFRZLF-GFCCVEGCSA-N	307.306	1.581	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1c(Cl)cccc1[N+](=O)[O-]	294641430	MEYFFNLKLNQHBA-VIFPVBQESA-N	313.697	1.188	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1cnc2n(c1=O)CCS2	808245266	KCDWVTJHRINRRP-UHFFFAOYSA-N	308.190	1.225	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cnc(Cl)c(Cl)c1	295617995	HOWRYKIAJVJRMB-SECBINFHSA-N	318.160	1.719	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)C2CCN(C3CC3)CC2)c1	294027331	WGRZZMRCYIWAGE-UHFFFAOYSA-N	316.405	1.963	50	20	DDGD	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNC(=O)N(C)C	805170592	IBDJYEXPWREURA-UHFFFAOYSA-N	317.345	1.789	50	20	DDGD	
O=C(CCc1cccc([N+](=O)[O-])c1)NNC(=O)[C@@H]1CCCCO1	295302044	FEIOXJOZMQYXPC-ZDUSSCGKSA-N	321.333	1.244	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)Cc2cc(C)[nH]n2)cc1C	291166068	JLXMTBDUILSEMI-UHFFFAOYSA-N	316.361	1.889	50	20	DDGD	
CCc1nc(CNC(=O)NNc2c(F)cccc2Cl)n[nH]1	297186020	BQLZEHVNHVERJS-UHFFFAOYSA-N	312.736	1.986	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CC2CC2)ccc1OC(F)F	294048365	FNQGMTWJZNXTOS-UHFFFAOYSA-N	314.288	1.858	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cc3n(n2)CCCC3)nc1	807001643	ADZOAFUKTFLSIS-UHFFFAOYSA-N	314.349	1.005	50	20	DDGD	
COc1ncc(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)cn1	802001709	RHZMZWHMHNFOFL-UHFFFAOYSA-N	323.259	1.230	50	20	DDGD	
CCOc1ccc(CCC(=O)NNC(=O)c2cccn2C)cc1	299150690	YJLMOXRIVFKTDI-UHFFFAOYSA-N	315.373	1.818	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCC2)NNC(=O)NCC(F)(F)F	299203680	AMSQGYDWYXRNGQ-UHFFFAOYSA-N	315.295	1.611	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2ccc(F)c(C#N)c2)O1	292806748	BWNQWHJYTFLVSY-UFBFGSQYSA-N	306.297	1.418	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=Cc2cn(C(C)C)nn2)c1	807951233	NESAZTAEWMQDEI-UHFFFAOYSA-N	317.349	1.640	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=C1CCOc2ccc(F)cc21	815000132	GZSOVOZOVCJMDA-UHFFFAOYSA-N	300.293	1.951	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cnc(C(C)(C)C)nc1	814854796	XWRBVUOIAIODQY-UHFFFAOYSA-N	319.409	1.529	50	20	DDGD	
C=CCn1cc(CNC(=O)[C@@H](Br)C(C)(C)C)nn1	819605984	KFQCIAAXCNXLMZ-SNVBAGLBSA-N	315.215	1.890	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2cc(F)c(F)c(F)c2)c[nH]1	815857228	UGBXIGYUFJRGCU-UHFFFAOYSA-N	313.235	1.976	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NNc2nc3ccccc3n2C)C1	816577291	FLQGJAPLYCSGTP-LBPRGKRZSA-N	315.377	1.275	50	20	DDGD	
O=C(NNc1ncncc1F)Nc1ccc2oc(=O)ccc2c1	813840060	OATQJCNYMFJKCT-UHFFFAOYSA-N	315.264	1.871	50	20	DDGD	
C[C@@](O)(C(=O)NNc1nc(-c2ccccc2)no1)C1CCC1	813448455	OEKVAKSQWYFFAG-HNNXBMFYSA-N	302.334	1.731	50	20	DDGD	
NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1ccccc1C(F)(F)F	816843816	CTUMJQPBLFDNTA-YUMQZZPRSA-N	301.268	1.660	50	20	DDGD	
CCCN(CCC)C(=O)CCCC(=O)NNc1cnnn1C	816770479	ZHDCZNCQGLJNGT-UHFFFAOYSA-N	310.402	1.077	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CCN(Cc2ccccc2)[C@@H]1C	811637110	SZHMLNSBQXAHQD-CYBMUJFWSA-N	316.405	1.278	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1ccc(F)cc1O	727777665	QPPCCHZXDCFKCD-LLVKDONJSA-N	323.368	1.340	50	20	DDGD	
COCC(=NNC(=O)c1cnccn1)c1cccc(Cl)c1	814794065	WHGFQWRYUFEMNJ-UHFFFAOYSA-N	304.737	1.911	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccc(N(C)C)c(F)c2)n1	727648920	WWXFHWKDVDTEAU-UHFFFAOYSA-N	317.368	1.855	50	20	DDGD	
CC1=NO[C@@H](C(=O)NNC(=O)c2c(Cl)cccc2Cl)C1	825768055	APSOXEJFZWUKQP-SECBINFHSA-N	316.144	1.919	50	20	DDGD	
CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NNC(=O)C(C)C	728018942	YHIGGDIQWCTPME-CDCCAWJDSA-N	313.423	1.048	50	20	DDGD	
CNC(=O)NN=C1CCOC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C	496711267	ANYNIYASWAIKAI-ZJUUUORDSA-N	314.386	1.221	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	491821756	YJRFUIDVUWGLCI-LBPRGKRZSA-N	317.393	1.890	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2CCC(=O)N(C)C2=O)c(Cl)c1	824787796	CYIVSLNPIZFQHC-NSHDSACASA-N	324.768	1.422	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(C)c(N2CCNC2=O)c1	491008465	IFXFPXJCEUZDSK-BENRWUELSA-N	314.345	1.907	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C	823947156	SXGBPQDUPUUMLN-GHMZBOCLSA-N	317.430	1.270	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)NNC(=O)C1CC1	494093416	AQLDLKDYDLNSBD-MRVPVSSYSA-N	321.324	1.092	50	20	DDGD	
Cc1cc([C@@H]2CCCN2C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)on1	827316049	YLHKOXFPWOEDRK-UTUOFQBUSA-N	322.365	1.286	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(C)Cc1ccc(C(=O)NC)cc1	490754393	OADZUYPCXFUKDY-SDNWHVSQSA-N	301.346	1.449	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)Cn1ccc2ccccc21	823129828	SYGLRPOLWBBBLY-AWEZNQCLSA-N	303.362	1.604	50	20	DDGD	
COC(=O)COc1c(C)cc(C(=O)NN(C)C(=O)OC)cc1C	495625582	MEBSXQLROPRLOE-UHFFFAOYSA-N	324.333	1.198	50	20	DDGD	
C[C@H]1CC(=NNC(=O)CCCNC(=O)OC(C)(C)C)[C@@H](C)O1	496651583	RTMGROQKNWQGLD-WDEREUQCSA-N	313.398	1.961	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)N[C@@H]2CO[C@H](C)C2)cc1	828421881	SHFJRJNWNJOIOL-NEPJUHHUSA-N	323.418	1.595	50	20	DDGD	
COc1ccc(CC(=O)NNC(=S)N[C@@H](C)C2CC2)c(C)c1	824446582	NLQJBGBGCUVOFC-NSHDSACASA-N	321.446	1.840	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cccc(N2CCCC2)c1	823815980	NFDYAQBPCVYBCV-UHFFFAOYSA-N	320.393	1.267	50	20	DDGD	
O=C(NC[C@H]1CCCC[C@@H]1C1CC1)c1cccc(B(O)O)c1	584997763	JQDHKLHYZNOROO-GDBMZVCRSA-N	301.195	1.313	50	20	DDGD	
CC1(c2ccccc2)CC(NCc2ccc(B(O)O)cc2F)C1	585040081	ZRRLZBULARVBAS-UHFFFAOYSA-N	313.181	1.715	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2(C(C)C)COC2)c1C	825157725	SFDMEDUPEYXUHN-UHFFFAOYSA-N	306.362	1.897	50	20	DDGD	
COCC(C)(C)N1CCN(C(=O)NCCSSC)CC1	823584443	GWPTZRNDPGVTDH-UHFFFAOYSA-N	321.512	1.750	50	20	DDGD	
CCS[C@H](c1nc(-c2cccc(B(O)O)c2)no1)C(C)C	585051980	QDLOIBQPAZKXID-LBPRGKRZSA-N	306.196	1.867	50	20	DDGD	
CCO[C@@H]1C[C@H](NCC(=O)NNC(=O)C(C)C)C1(CC)CC	828936250	LTBXNTKTYHSDEQ-QWHCGFSZSA-N	313.442	1.363	50	20	DDGD	
CC(C)CC(=O)NN=Cc1c[nH]c2ccc(-c3nn[nH]n3)cc12	820050574	CGOARVOBPZNDFO-UHFFFAOYSA-N	311.349	1.844	50	20	DDGD	
CO[C@@H]1CCC[C@H](C(=O)NNc2nc(O)c3ccccc3n2)C1	826860846	OOZJMOYZBBAZPO-WDEREUQCSA-N	316.361	1.984	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@H]1CCCS(=O)(=O)C1	490874529	GPEDELYJTQLELG-BCNIOPEESA-N	322.361	1.426	50	20	DDGD	
C[C@H](C#N)C(=O)NNC(=O)c1ccc(Br)s1	736668594	XWENUCGWUXDWKW-RXMQYKEDSA-N	302.153	1.431	50	20	DDGD	
CCOC(=O)NN=Cc1ccc(S(N)(=O)=O)c(Cl)c1	496616020	HCARTKOMFYEZFO-UHFFFAOYSA-N	305.743	1.067	50	20	DDGD	
C[C@@H]1C[C@H]1c1ccc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)o1	732769050	AEFNUNBYDHSHCI-CKYFFXLPSA-N	310.375	1.288	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)/C=C\c1ccc[nH]1	492009919	NBBCAPZTURPDNU-IQQGHNRFSA-N	317.320	1.782	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc(F)c(C#N)c1	831427552	UBZIKRPDTCEHFA-GZMMTYOYSA-N	306.297	1.275	50	20	DDGD	
CC[C@H](NNC(=O)c1cccnn1)C(=O)Nc1ccc(C)cc1	905792224	CAWUUXAIYLCUGP-ZDUSSCGKSA-N	313.361	1.437	50	20	DDGD	
Cc1c(NC(=O)c2cccc(B(O)O)c2)cnn1CCC(C)C	584963942	AADZYOVVNSBJIQ-UHFFFAOYSA-N	315.182	1.170	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)c1ncon1)O[C@@H](C)C2	901285838	MNWWZILXBGDPQV-QMMMGPOBSA-N	302.290	1.166	50	20	DDGD	
COc1ccc(Cl)cc1C(CC(C)C)=NNC(=O)C(N)=O	735971311	YCSXRGWXGWWMAT-UHFFFAOYSA-N	311.769	1.700	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C2CC2)c(-c2ccccc2Cl)n1	731185723	DRBCXNQKJCVPND-UHFFFAOYSA-N	318.764	1.912	50	20	DDGD	
CC(C)Cn1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cn1	831505614	DTLOULHMQXRTAR-ZYHUDNBSSA-N	309.370	1.117	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNc2ccc(C(=O)O)cn2)ccn1	833505864	VHMBWODUXWQNRH-UHFFFAOYSA-N	316.317	1.719	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=S)NC(C2CC2)C2CC2)c1	734761259	YWQUBOJNBYQEGB-UHFFFAOYSA-N	314.414	1.856	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H](C)c2cnn(C(C)C)c2)n1	732894540	YJZSEZUPKZDZOM-SNVBAGLBSA-N	319.369	1.650	50	20	DDGD	
O=C(c1ccc(C(F)(F)F)nc1Cl)N1CC[C@H](B(O)O)C1	585079162	TVABCBSMASEONN-LURJTMIESA-N	322.479	1.443	50	20	DDGD	
CCC(C)(C)OCC(=O)NNc1ccccc1S(C)(=O)=O	837478748	PDJFGOVNJZPUMP-UHFFFAOYSA-N	314.407	1.738	50	20	DDGD	
N#Cc1ccc(CCC(=O)NNC(=O)[C@H]2CCCCO2)cc1	833255597	GRQOOCPDOGEUKJ-CQSZACIVSA-N	301.346	1.207	50	20	DDGD	
CCCc1ccc(C(=O)CCC(=O)N2CC[C@@H](B(O)O)C2)cc1	585075995	VPFSYSDBZCVVIK-OAHLLOKOSA-N	317.194	1.677	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(-c2nn[nH]n2)c(Cl)c1	736586643	OWTKLZGUXXQEJN-BQYQJAHWSA-N	318.724	1.903	50	20	DDGD	
COc1cc(C)ccc1NC(=O)NNC(=O)[C@@H]1CCCCO1	836323045	YSAKCWMETIFPBK-LBPRGKRZSA-N	307.350	1.725	50	20	DDGD	
CC[C@@H](NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)C1CCCC1	838703431	IYBKJOUFPFQLNQ-OCCSQVGLSA-N	317.455	1.336	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@@H](C)CC(=O)O)cc1	832958310	ZFIAKKDCNUQRRK-JTQLQIEISA-N	310.375	1.345	50	20	DDGD	
CCC(C)(C)OCC(=O)NNC(=O)c1c(C)nc2ccccn12	837315928	GSRNWFKDSXADMG-UHFFFAOYSA-N	318.377	1.609	50	20	DDGD	
CONC(=O)C1CCN(C(=O)[C@]2(C)C[C@@H]2Br)CC1	913791987	HFSQQSFWMDJVGQ-JOYOIKCWSA-N	319.199	1.076	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1	743588760	IABAZOGEDBCGIV-RBSFLKMASA-N	316.405	1.923	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2nn(C)cc2C)cc1	839470413	OLSGWIDHWGLIQQ-UHFFFAOYSA-N	318.402	1.590	50	20	DDGD	
O=C(O)Nc1cccc(C(=O)NNc2ccc(Cl)nn2)c1	740034615	YCFIJCWFQREPLE-UHFFFAOYSA-N	307.697	1.977	50	20	DDGD	
O=C(NNS(=O)(=O)C[C@H]1CCCCO1)NC1CCCCC1	740810389	WNQQKZBIAGJXLF-GFCCVEGCSA-N	319.427	1.022	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H](C)NC(=O)c1ccc(Cl)cc1	915775643	DGJGQXIUOAWWHA-SECBINFHSA-N	311.769	1.262	50	20	DDGD	
CCOc1ccc(C=NNC(=O)[C@H]2CCO[C@@H]2C)cc1OC	842553583	IDQXSXLFZVBYJS-YPMHNXCESA-N	306.362	1.969	50	20	DDGD	
Cn1ccc(C=NNC(=O)c2csc(N3CCOCC3)n2)c1	749853789	BKWHQKNLHDNIBP-UHFFFAOYSA-N	319.390	1.082	50	20	DDGD	
CO[C@H](C=NNC(=O)CCN1CCCCCC1)[C@@H]1CCOC1	841610990	NYSBSRGQJUXQKR-HUUCEWRRSA-N	311.426	1.406	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCCCNC2CC2)cc1F	841918946	YFZZEZZROSYOPE-UHFFFAOYSA-N	324.356	1.381	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC(Oc2ncc(C)cn2)CC1	848297770	DBUILAOTAGWXFP-ACCUITESSA-N	316.361	1.599	50	20	DDGD	
CC(C)c1ccc([C@@H](N)CNC(=O)NNC(=O)C2CCC2)cc1	841937264	WAHYRILETDTPOV-HNNXBMFYSA-N	318.421	1.940	50	20	DDGD	
CCOc1ccc(C(=O)NN=C[C@@]2(OC)CCOC2)cc1OC	841612895	RUZRXODXKYBIQE-INIZCTEOSA-N	322.361	1.615	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)c2ncccn2)c(C)c1OC	841663825	AQHLHYDMGBDDEC-UHFFFAOYSA-N	314.345	1.956	50	20	DDGD	
COc1cccc(NCC(=O)NN=C[C@@H](OC)[C@H]2CCOC2)c1	841614655	NRNRPZAFOKPCMW-SWLSCSKDSA-N	321.377	1.261	50	20	DDGD	
CON(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(CCl)cc1	918441584	VTFKWYGBUMPMDO-VIFPVBQESA-N	320.798	1.112	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)NNC(=O)C2CCCC2)C1	919924473	KJROGPDHINFDLQ-HZSPNIEDSA-N	324.469	1.873	50	20	DDGD	
Cc1cccc(OCC(=O)NN=C2CCCc3c2cnn3C)c1	915940525	APTAKZSKXQXFHM-UHFFFAOYSA-N	312.373	1.964	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)COc1ccc(C)cc1)C(C)C	745848851	JUATVRYMPQHNLS-CQSZACIVSA-N	323.393	1.375	50	20	DDGD	
C/C(=C\c1ccco1)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	846783798	DCFAMOBSUGILKE-LMMOQWNQSA-N	312.391	1.175	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)/C=C/c1cccnc1	910188108	VJDIAAFGUWOTLY-SYTKJHMZSA-N	319.361	1.220	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=Cc2cccs2)C[C@@H](C)O1	916372605	RZVBHPBEDHIHQP-RWMBFGLXSA-N	309.435	1.944	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)[C@@H]2COc3ccccc3O2)[nH]1	749813064	WIVJHBFMWKNJOI-ZDUSSCGKSA-N	315.285	1.003	50	20	DDGD	
CC[C@@H](N)CNC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	842007584	QMTXQABAYOOXRF-MWLCHTKSSA-N	324.450	1.554	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccc2ccccc2n1)n1cccn1	918184981	WCLNWTWQVWNGCH-LLVKDONJSA-N	309.329	1.454	50	20	DDGD	
Cc1nc(CC(C)C)sc1C(=O)NNC(=O)c1ncccn1	841355032	VOUIAVIVKDQEFA-UHFFFAOYSA-N	319.390	1.515	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCc1ncc(C(C)(C)C)o1	843655749	KYYMJLMCAIGGLH-GHMZBOCLSA-N	323.393	1.477	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cccc2c1OCCCO2	748259539	WYLWWRTYHYALSU-GFCCVEGCSA-N	322.361	1.350	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H]2CCN[C@@H](C)C2)cc1	841985307	HBYVJKYIBKRDJF-FZMZJTMJSA-N	304.394	1.334	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)NC1CCCCCCC1	748614348	YZEMOYWABNBFIX-LBPRGKRZSA-N	315.414	1.481	50	20	DDGD	
CN(C)CCCCC(=O)Nc1cccc(NC(=O)NN(C)C)c1	843870823	PTZGBRUCXFDZRE-UHFFFAOYSA-N	321.425	1.955	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])C1SCCCS1	842233301	PWYVMHLFRYXJSJ-UHFFFAOYSA-N	300.365	1.629	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=C1C[C@@H](C)n2ncnc21	841609220	OSPNVIVIYXGKQB-SNVBAGLBSA-N	323.360	1.421	50	20	DDGD	
CCc1cc(C(=O)NNC(=S)N[C@@H](C)C2CC2)c(C)nn1	759400695	CQGJIQVBIPGVJL-QMMMGPOBSA-N	307.423	1.255	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2	754863230	RFNGATQXCLQIGE-IACUBPJLSA-N	309.410	1.711	50	20	DDGD	
COC[C@H](NC(=O)NNc1ccc(Cl)cn1)[C@@H]1CCCO1	852288062	KGVJSKDROPMGPK-QWRGUYRKSA-N	314.773	1.555	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1nc(C)sc1Br	854920757	HYKWRJGQAVDVOW-UHFFFAOYSA-N	323.241	1.295	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)c1C	855624228	GQTBXKHDPXZDST-CYZMBNFOSA-N	316.357	1.840	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1ccc(F)cc1	921206793	HYIMWZWYIUXMLG-UHFFFAOYSA-N	317.320	1.707	50	20	DDGD	
CC(C)(C)c1ncc(NC(=O)NNC(=O)c2ccccn2)cn1	756245901	MAAGQMUTODWSNJ-UHFFFAOYSA-N	314.349	1.636	50	20	DDGD	
Cc1csc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])n1	755540817	SITVEAADVXLEIR-UHFFFAOYSA-N	320.330	1.889	50	20	DDGD	
C[C@@H]1CCN(C(=O)NC[C@]2(C)C[C@H]2Br)C[C@@H]1CN	857105316	JFFZUTJZBQSVOB-XZUYRWCXSA-N	318.259	1.786	50	20	DDGD	
CSc1ccc(NC(=O)NNC(=O)CC(F)(F)F)nc1	758000153	GJCHJDWNJPPVSI-UHFFFAOYSA-N	308.285	1.909	50	20	DDGD	
O=C(CNC(=O)C1CCCCC1)NN=c1cc[nH]cc1Cl	757405907	IWVRJHGNVQBXJU-UHFFFAOYSA-N	310.785	1.297	50	20	DDGD	
C=C(C)[C@H](CC(=O)NNC(=O)c1ccc(Cl)nc1)OCC	755545045	WJZLQAVLBAYFGY-NSHDSACASA-N	311.769	1.867	50	20	DDGD	
CC1(C)CC(C(=O)NNc2ccc(C(N)=O)nn2)CC(C)(C)C1	857150126	NGGJJZJPGOOSFZ-UHFFFAOYSA-N	319.409	1.871	50	20	DDGD	
CCOc1cccc(CC(=O)NNC(=O)OCC(F)(F)F)n1	856020498	JVGMHOWKCMRYDS-UHFFFAOYSA-N	321.255	1.343	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCCCN2CCCC2)nc1	759738838	RQQJLHUYARZMFX-UHFFFAOYSA-N	320.393	1.577	50	20	DDGD	
Cn1cc(C(=O)NN=C2C[C@H](Oc3ccccc3)C2(C)C)nn1	853384879	XDEVXVRGKWEFCZ-AWEZNQCLSA-N	313.361	1.778	50	20	DDGD	
CCCCN(C)CCNC(=O)NNC(=O)c1cc(C)cs1	858282724	PUXWSSHEPMVWRT-UHFFFAOYSA-N	312.439	1.732	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H](NC(=O)NNC(=O)c2ccccc2C)C1	924173489	MOLMEDLORLFXDZ-NEPJUHHUSA-N	319.361	1.281	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)OCC(F)(F)F	856023474	KVWSXNBWJNULIR-UHFFFAOYSA-N	321.255	1.427	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@](C)(O)c1ccc(Cl)cc1	854921869	QCNTUTHQRWLZIB-GFCCVEGCSA-N	301.799	1.015	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccn1)c1cnc2[nH]nnc2c1	857513293	BQUWHMROZRBYBX-UHFFFAOYSA-N	323.238	1.524	50	20	DDGD	
C[C@H](CNC(=O)NNc1ncc(Cl)cn1)N1CCCCC1	856844487	MPMCRXLOVSCSOT-SNVBAGLBSA-N	312.805	1.631	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cccc([S@](C)=O)c2)o1	756524376	HSTQVRZMARGTJN-QFIPXVFZSA-N	321.358	1.792	50	20	DDGD	
COc1cc(C)ccc1C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	853390706	JFYTUPNUMFHJBX-ZBFHGGJFSA-N	317.389	1.317	50	20	DDGD	
CNC(=S)N(C)NC(=O)C(C)(C)Oc1ccc(OC)cc1	854928916	RJMLWRACNCFUDS-UHFFFAOYSA-N	311.407	1.320	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C2CC2)[C@H](C)C#N)cc1	852480369	QBEVFLQIMAOQLO-GFCCVEGCSA-N	300.362	1.133	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C(F)(F)F)c1	857264670	JKPCZZVZUBRVIO-GMSGAONNSA-N	319.239	1.822	50	20	DDGD	
CC[C@@H](Cc1ccccc1C)C(=O)NNC(=O)c1cc[nH]n1	855355239	TWIPDIJKBPAYPI-LBPRGKRZSA-N	300.362	1.748	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCc1nnnn1C1CC1	853800278	AGNPIHTYHGHKHJ-UHFFFAOYSA-N	305.317	1.282	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CC12CCC2	759689656	BRIKAEOAEUNAJQ-WDEREUQCSA-N	306.337	1.931	50	20	DDGD	
COc1cccc(OC)c1C=NNC(=O)Cn1nc(C)cc1C	755563848	GUSUIIZEFCIYQH-UHFFFAOYSA-N	316.361	1.667	50	20	DDGD	
COCCOCc1ccc(NC(=O)NNc2ncccn2)cc1	861567193	AOGSEWGKHFCXIV-UHFFFAOYSA-N	317.349	1.788	50	20	DDGD	
O=C(NNC(=S)NC12CC3CC(CC(C3)C1)C2)c1cn[nH]c1	863205454	XHVPXSLFYRWIQC-UHFFFAOYSA-N	319.434	1.487	50	20	DDGD	
CCCc1cc(C(=O)NNc2cccc(OC)n2)cc(O)n1	935294901	DBWBGYAYAYEGMB-UHFFFAOYSA-N	302.334	1.900	50	20	DDGD	
COc1nc(N(C)C)sc1C=NNC(=O)c1ccc(O)cc1	767038136	YLORDHGGLZQIDW-UHFFFAOYSA-N	320.374	1.687	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C	765314512	KYAAVAXYAKUMNZ-ZFWWWQNUSA-N	318.421	1.493	50	20	DDGD	
COCC(=O)NN=C(C)[C@@H]1CN(Cc2ccccc2)CCO1	761821984	QFTVQXUVFFMMQI-HNNXBMFYSA-N	305.378	1.026	50	20	DDGD	
C[C@H](NNC(=O)CSC[C@@H]1CCCCO1)C(F)(F)F	862313053	XCAWEGJJEWZKHO-IUCAKERBSA-N	300.346	1.860	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCCC[C@H]1CCSS1	768245664	XETPCXOZHXXOOA-VIFPVBQESA-N	306.453	1.619	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc2c(c1)NC(=O)CO2	769938587	WYKWAPXAWLQHOB-UHFFFAOYSA-N	306.322	1.216	50	20	DDGD	
CSc1ccc(/C=C/C(=O)NNC(=O)C(C)(C)O)s1	861205413	CBWCRSISCHGNFO-GQCTYLIASA-N	300.405	1.402	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1nc2ccc(F)cc2s1	761785431	HGSDPONNLLCIKK-UHFFFAOYSA-N	308.338	1.410	50	20	DDGD	
CCCCC(=O)N1CSC[C@H]1C(=O)NN=c1cc[nH]c(C)c1	862511291	JYQYWGOGMMHUSJ-ZDUSSCGKSA-N	322.434	1.347	50	20	DDGD	
CC(C)C(=O)N1CCCC[C@H]1C(=O)NNc1ncc(F)cn1	760905972	FBLWKUKIMDUGGL-NSHDSACASA-N	309.345	1.096	50	20	DDGD	
CCCn1nccc1NC(=O)COC(=O)/C(C#N)=C\C1CC1	869503491	FHBDIURWUJDZIF-WQLSENKSSA-N	302.334	1.635	50	20	DDGD	
CCNC(=O)c1ccc(NC(=O)NNC(=O)C2CC2)c(C)c1	764624340	GUDYZKZOGHZGLB-UHFFFAOYSA-N	304.350	1.307	50	20	DDGD	
C[C@@H](NC(=O)c1cccs1)C(=O)NN[C@H](C)C(F)(F)F	862307178	UOUOTRFNLLFDCC-RNFRBKRXSA-N	309.313	1.438	50	20	DDGD	
CC[C@@H](C)Oc1ccc(C(=O)NNC(=O)COCCOC)cc1	869910179	OOHUIYCKACDJCI-GFCCVEGCSA-N	324.377	1.288	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@H](O)CCc2ccccc2)c1	764993689	UWANTSUQUWXJPL-MRXNPFEDSA-N	323.352	1.313	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1cccc2cc[nH]c12	776064014	MCSCNTNFRCVPLW-UHFFFAOYSA-N	309.329	1.958	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1c(C)nn(C)c1Cl	777828198	MPOMARGSUSZLLD-UHFFFAOYSA-N	322.752	1.925	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C2(C#N)CCOCC2)c1	873774857	WIFIJWPTQMBZNY-UHFFFAOYSA-N	318.402	1.633	50	20	DDGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CC[C@H](n2cncn2)C1	776879571	TZLIDJCVLIJGBI-KMUBYUNESA-N	310.317	1.998	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H]2CCC(=O)N2C)c1	873756625	KMRODJBLYKGMMF-LBPRGKRZSA-N	320.418	1.242	50	20	DDGD	
CCCCn1cc(CNC(=O)NNc2ccc(C)nn2)c(C)n1	773722040	SRPTVWXFPDFMJE-UHFFFAOYSA-N	317.397	1.916	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCc1cccc2cccnc12	875040773	VFUXXNIZARUQLG-UHFFFAOYSA-N	302.334	1.690	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNC(=O)c1nc2ccccc2s1	874913362	KPSLCXRNQXIFQM-QMMMGPOBSA-N	321.358	1.257	50	20	DDGD	
COc1ccnc(C(=O)NNc2cccc(S(C)(=O)=O)c2)c1	776535822	FGTMYQVNORZKLP-UHFFFAOYSA-N	321.358	1.251	50	20	DDGD	
O=C(CC1(O)CCCCC1)NNC(=S)Nc1ccccn1	874957070	ZMAZVBWLGADLJK-UHFFFAOYSA-N	308.407	1.485	50	20	DDGD	
CC(C)(C)c1ccccc1C(=O)NNC(=O)N1CCOCC1	771381733	NCUXHWPNSCJLKK-UHFFFAOYSA-N	305.378	1.671	50	20	DDGD	
COc1ccccc1OCc1ccc(C(=O)NN(C)C(N)=O)o1	778412868	YZICTJAXKYHICF-UHFFFAOYSA-N	319.317	1.523	50	20	DDGD	
C=C/C=C/CCNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	883825243	IZBDWOKHACVERN-XGACYXMMSA-N	317.345	1.289	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21)c1ccccc1	779928930	FCZIQAQJEQQNDX-GBJTYRQASA-N	302.374	1.753	50	20	DDGD	
CCC(C)(C)N[C@@H](C)C(=O)NNc1nc(-c2cccnc2)no1	772949311	ZUGPSCMRIVRBDN-JTQLQIEISA-N	318.381	1.741	50	20	DDGD	
C=CC(C)(C)CC(=O)OCC(=O)NNC(=O)c1cccs1	884651612	UONPXBXPTMLPIA-UHFFFAOYSA-N	310.375	1.655	50	20	DDGD	
CC1CCC2(CC1)OC[C@H](CNC(=O)NNC(=O)C(C)C)O2	776952212	OEVXDTCFGBURNQ-AVERBVTBSA-N	313.398	1.295	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1n[nH]c2c1CCCC2	772814562	HJOIVVRLOZHXKE-UHFFFAOYSA-N	300.366	1.959	50	20	DDGD	
CCOC(=O)C1(CNC(=O)NNC(=O)CC(C)C)CCCC1	1122091587	AGHXJGKGKJCYTR-UHFFFAOYSA-N	313.398	1.486	50	20	DDGD	
O=S(=O)(CCCCl)NCc1ccccc1-n1ccnc1	881808769	CYQHKXTZEASZQE-UHFFFAOYSA-N	313.810	1.921	50	20	DDGD	
COC(=O)[C@H](CC(F)(F)F)NS(=O)(=O)CCCCl	882072996	YWONYXZCBYOWSY-LURJTMIESA-N	311.709	1.029	50	20	DDGD	
Cn1cncc1C(=O)NNC(=O)CSc1ccc(Cl)cc1	788263314	YBUKQYSZPYMYQC-UHFFFAOYSA-N	324.793	1.627	50	20	DDGD	
C#CCOc1ccc(CNS(=O)(=O)CCCCl)cc1	882238457	UIUGLQKMVNVKKA-UHFFFAOYSA-N	301.795	1.747	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)NC[C@@H]1CCC=CO1	780735664	UCJQLCVGPRFYPA-NSHDSACASA-N	323.324	1.228	50	20	DDGD	
O=C(NNc1cc(Br)ccc1F)[C@H]1C[C@@H](O)C1	885149543	URJOEYQHROVUEL-WRXNHJIOSA-N	303.131	1.802	50	20	DDGD	
C[C@H](CN1CCOCC1)OC(=O)/C(C#N)=C\c1ccccc1	785366181	NMNHNIUINBZAIK-VQCBNXJZSA-N	300.358	1.857	50	20	DDGD	
COc1ccc(C2(NS(=O)(=O)CBr)CC2)cc1	782437493	MTDFCKDUHMHMGF-UHFFFAOYSA-N	320.208	1.956	50	20	DDGD	
CC(C)[C@H](F)C(=O)NNC(=O)c1cc(Br)c[nH]1	784145114	MWYWGZFYWKVATF-QMMMGPOBSA-N	306.135	1.532	50	20	DDGD	
Cc1nn(CC(=O)NNc2ncncc2Cl)c(C)c1Cl	781825259	MFHVARUSLYGUST-UHFFFAOYSA-N	315.164	1.740	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1ccc2cncn2c1	786135981	AAZJRTMBYSVTAS-UHFFFAOYSA-N	321.300	1.536	50	20	DDGD	
O=C(NNc1ccccc1Cl)c1cccn2c(O)nnc12	780991866	IYLDSWZWYPXUSI-UHFFFAOYSA-N	303.709	1.845	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@H]2CCCCN12)NC1CCCCC1	899940529	PLBKOHOXKQWLBQ-KGLIPLIRSA-N	308.426	1.666	50	20	DDGD	
Cc1nscc1C(=O)NNc1ccc(-n2ccnc2)nn1	788180813	HFNNBOZKPWXAJV-UHFFFAOYSA-N	301.335	1.184	50	20	DDGD	
C[C@@H](OCCc1ccccc1)C(=O)NNC(=S)NC(C)(C)C	899997355	PYBRRDFYNUKOSR-GFCCVEGCSA-N	323.462	1.928	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@H](Br)C(C)(C)C)C[C@@H](CO)O1	787470757	FCCPBRHJGAQSHX-UTLUCORTSA-N	308.216	1.404	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CCCC1CCOCC1	799289766	LLMQWNVEHZPAFR-UHFFFAOYSA-N	301.456	1.877	50	20	DDGD	
CC(C)[C@H]1C[C@@H](C(=O)NNC(=O)c2ccccc2O)CCO1	891808153	DHXABLBSQPNLSC-SMDDNHRTSA-N	306.362	1.604	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc3nccnc3cc2F)n1	792052121	HDXOVCGDQXRJLV-UHFFFAOYSA-N	314.280	1.324	50	20	DDGD	
COC(=O)[C@H](NNC(=O)c1cccc(C)n1)c1ccccc1F	795465409	BQQJSVAQXZUQKS-CQSZACIVSA-N	317.320	1.678	50	20	DDGD	
CCOCCO[C@H]1CCN(C(=O)NCCSSC)C1	790878580	LLJOTEJKYYXKBA-NSHDSACASA-N	308.469	1.835	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2cnn(C(C)C)c2)n1	797632225	YHLLLOFBOQARNV-UHFFFAOYSA-N	302.338	1.634	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC2CCC(F)(F)CC2)n1	793130855	OBEYVPLOWQIEGC-UHFFFAOYSA-N	312.320	1.912	50	20	DDGD	
C=C(CBr)CN1CCO[C@H](C(=O)OC(C)(C)C)C1	791474693	WJPOXKUUALEGJF-NSHDSACASA-N	320.227	1.980	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cc(F)c(F)c(O)c1F	791259495	SUAPUDQARVLWCU-UHFFFAOYSA-N	323.234	1.609	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2ccc(C)cc2O)cn1C	790156778	FEEAOQNQQQWGJH-UHFFFAOYSA-N	315.329	1.590	50	20	DDGD	
C=C[C@@H](NNC(=O)CNc1c(C)cc(C)cc1C)C(=O)OC	799977113	SOBUOVDRMVLDQZ-CYBMUJFWSA-N	305.378	1.372	50	20	DDGD	
COc1ccc(C=NNC(=O)CCN2CCC(C)CC2)c(O)c1	1318442648	WRJWFAZQBDAJDB-UHFFFAOYSA-N	319.405	1.973	50	20	DDGD	
C[S@](=O)c1ccc(NC(=O)C(=O)NNc2ccccc2)cc1	1320106442	TUAVKTBVBYIOJX-QFIPXVFZSA-N	317.370	1.506	50	20	DDGD	
O=C(/C=C\[C@@H]1CCOC1)NNc1cncc(Br)c1	1324487530	XHHZOIKAEJJROK-JKERVTFKSA-N	312.167	1.880	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H]2OCCC[C@@H]2C1)c1cccc(F)n1	1329926523	VCAHUMFOUOXGEL-ZYHUDNBSSA-N	322.340	1.076	50	20	DDGD	
Cc1c(C(=O)NN=c2cc[nH]cc2)cnn1C1CCOCC1	1320052018	CNCXADVQDMFEBU-UHFFFAOYSA-N	301.350	1.117	50	20	DDGD	
CC(=O)N(c1nc(/C=C(\C#N)S(C)(=O)=O)cs1)C1CC1	1339112165	OPUBTUPGZUICEI-VZUCSPMQSA-N	311.388	1.567	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2nc(C)cs2)n1	1333215951	UYUYAMITSTXANR-UHFFFAOYSA-N	306.395	1.845	50	20	DDGD	
Cc1ccc(C)c(OCCC(=O)NNC(=O)c2cccnn2)c1	1332255161	QZHXMFYRBHAVPQ-UHFFFAOYSA-N	314.345	1.324	50	20	DDGD	
CC[C@@H](F)C(=O)NNC(=S)Nc1ccc(OC)c(F)c1	1337220423	VKRUMLMIYAACNP-MRVPVSSYSA-N	303.334	1.900	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccccc1Cl	1261661736	ZEYSFWQQTVCLGD-GHMZBOCLSA-N	318.764	1.638	50	20	DDGD	
Cc1nc(N2CCCCC2)sc1CN1CC[C@H](B(O)O)C1	1348489953	IJKACBSVCQZMKK-LBPRGKRZSA-N	309.244	1.491	50	20	DDGD	
O=C(NNC(=O)C1(F)CCOCC1)c1ccccc1Cl	1348502168	QEEWXEWTRAOCKT-UHFFFAOYSA-N	300.717	1.620	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)CCNc1ccccc1)C1CC1	1347817757	JLUJEIRQZYOKDD-NSHDSACASA-N	306.435	1.782	50	20	DDGD	
Nc1ccc(C=NNC(=O)CNC(=O)c2ccco2)c(Cl)c1	1343773379	HXNBYZTVSLLMHY-UHFFFAOYSA-N	320.736	1.395	50	20	DDGD	
CCCNC(=O)[C@H](C)NC(=O)/C(C#N)=C/c1ccc(O)cc1	1353858436	FOQZVCPCFCJDKT-GJSJWPQCSA-N	301.346	1.330	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc(F)c2cccnc12	1517993871	TUHAFIOOQBKTRF-ZDUSSCGKSA-N	317.320	1.704	50	20	DDGD	
N#CC1=CCN(C[C@@H](O)COc2ccc(C(=O)O)cc2)CC1	1601059133	VPNXQGSNEPRJIQ-CQSZACIVSA-N	302.330	1.280	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)Nc1cc(C(=O)O)cs1	1601555993	VCBTZJKEIPNJNB-UHFFFAOYSA-N	321.314	1.618	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)Nc1nnc(C2CC2)s1	1605821158	UQIXQULMZUQPIR-UHFFFAOYSA-N	320.334	1.657	50	20	DDGD	
CSSCCNC(=O)c1ccc(C)c(-c2nn[nH]n2)c1	1609372122	QOSUKOKPXHIZAP-UHFFFAOYSA-N	309.420	1.916	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2ccc(C(=O)O)n2C)n1	1600658666	KWGLHYBPFVNDFC-UHFFFAOYSA-N	306.347	1.181	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@H]1CCc2ccccc2O1	1606528431	GJISDOWDBNMCPS-CYBMUJFWSA-N	313.313	1.617	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H](C(=O)O)C1)c1ccc(Cl)cc1F	1601555641	CHRQKYXUPVPOME-KNVOCYPGSA-N	314.700	1.351	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)[C@H]1CCCC[C@H]1C(=O)O	1607887608	OBDHSXYWKYLGIL-WDEREUQCSA-N	305.334	1.042	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)Nc1ccccc1C(=O)O	1605820774	CZXMMZLOUDFEKH-UHFFFAOYSA-N	312.289	1.576	50	20	DDGD	
O=C(O)CCCCCCNC(=O)NNC(=O)c1ccccc1O	1601984663	XPSWMUNYBCBRQR-UHFFFAOYSA-N	323.349	1.371	50	20	DDGD	
O=C(O)Cn1ccc(NC(=O)NNc2ccc(F)c(F)c2)n1	1608799077	QLJBJUWDBJKFKA-UHFFFAOYSA-N	311.248	1.395	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@H]1C(=O)NN=Cc1cc[nH]c1	1549313552	ZTXKUUMPUGDLDX-OLZOCXBDSA-N	301.350	1.366	50	20	DDGD	
CC(CCc1ccco1)=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549315980	POZKZGGKLZJUDU-UKRRQHHQSA-N	305.378	1.568	50	20	DDGD	
ClCCCOc1ccc(CN[C@@H]2COC3(CNC3)C2)cc1	1579938430	VDXIQCOFKXIEDC-AWEZNQCLSA-N	310.825	1.915	50	20	DDGD	
C=CC[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1845978976	GYAYFVYDGMKRSI-WDEREUQCSA-N	302.777	1.936	50	20	DDGD	
CC1(C)C[C@@]1(C(=O)O)C(=O)NNC(=O)c1cc2c(s1)CCC2	1589219272	LOEMMFZTFMHDCB-HNNXBMFYSA-N	322.386	1.499	50	20	DDGD	
C/C=C(/C)C(=O)N1CC2(CCCN2C(=O)[C@@H](Cl)COC)C1	1846364624	BREZUDCXROJWHS-MCWZUMHDSA-N	314.813	1.410	50	20	DDGD	
N#C/C(=C/c1cccn1Cc1ccccc1-c1nn[nH]n1)C(N)=O	1592662738	VRMSRTBFQXMXNY-WQLSENKSSA-N	319.328	1.109	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)NC1CCN(C2CC2)CC1	1594781547	DCLUAMTUJZVMOZ-UHFFFAOYSA-N	319.365	1.033	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C1CCC1)c1ncc(C(=O)O)s1	1593102893	ZDKOSVDSETWAOB-ZCFIWIBFSA-N	312.351	1.033	50	20	DDGD	
CCc1nc(CNC(=O)NNc2cccc(C(=O)O)c2C)n[nH]1	1597670023	PNWXYJAPEJXCLG-UHFFFAOYSA-N	318.337	1.200	50	20	DDGD	
COCCCOCC(=O)NNc1cccc(F)c1C(=O)O	1599226442	XIHNKCFVZRYARL-UHFFFAOYSA-N	300.286	1.020	50	20	DDGD	
C[C@]1(C(=O)Nc2nc(CC(=O)O)cs2)C[C@H]1Br	1593761199	BLTZSVCLVDSJAU-LDWIPMOCSA-N	319.180	1.882	50	20	DDGD	
COc1nnccc1NC(=O)NNc1ccc(C(=O)O)cc1F	1599737955	ADSCHNDEUZKUKO-UHFFFAOYSA-N	321.268	1.471	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2ccc(C(=O)O)[nH]2)ccc1C	1598949098	SNPMKEJIBFQURT-UHFFFAOYSA-N	317.301	1.565	50	20	DDGD	
O=C(O)c1ccc(Br)c(C=NNC(=O)C(F)F)c1	1776054137	FLHSZUIOIKGOTM-UHFFFAOYSA-N	321.077	1.863	50	20	DDGD	
CCn1cnc(C=NNC(=O)Nc2ccc(C(=O)O)cc2)c1	1776046373	NDERRVQEMJHPQJ-UHFFFAOYSA-N	301.306	1.757	50	20	DDGD	
O=C(CSc1nnnn1C1CC1)NNc1ccccc1Cl	158215989	WMPCUDHJXRJNDD-UHFFFAOYSA-N	324.797	1.897	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@H](C)c2c(C)noc2C)n1	151503835	XVKNULYZGFTQFF-MRVPVSSYSA-N	320.353	1.520	50	20	DDGD	
C[C@H](NC(=O)NNc1ncnc2ccsc12)c1nncn1C	151359486	XMYQDABKCQQPML-ZETCQYMHSA-N	318.366	1.207	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@@H]1CCc2cn[nH]c2C1	151854971	SUVZCKMVKAOHHP-SECBINFHSA-N	301.306	1.566	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)NCC(C)C)cc1	3529099	GWMAFNKKZCKBCY-RIYZIHGNSA-N	316.357	1.918	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NOCCC(F)(F)F)cc1	154294933	LNQUREBNTHQQRH-UHFFFAOYSA-N	316.239	1.386	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N(Cc1ccccc1)CC1CCC1	584933405	GXOPUCAMYNGBES-UHFFFAOYSA-N	323.201	1.809	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCS(=O)CC2)cc1	108275647	ASZZBNJCZPEYEX-KAMYIIQDSA-N	318.398	1.583	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cn1	8191220	NLRWESYVEHXGBS-UHFFFAOYSA-N	316.405	1.788	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CC[C@H](C(N)=O)C2)cc1	58394982	OWWXZKJBTGRAHZ-GFAPJHNFSA-N	313.357	1.326	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(C)Cc1cccc(C#N)c1	109829360	WNTBWKHIUITPFW-ZDUSSCGKSA-N	316.405	1.572	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2ccc(F)cc2)n1	52804835	RPXOQWZYDOSLGC-UHFFFAOYSA-N	305.313	1.492	50	20	DDGD	
CCCOCC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	112824315	GKBQXRLFWYXOSM-UHFFFAOYSA-N	302.334	1.060	50	20	DDGD	
Cc1cc(NNC(=O)c2ccn(-c3cccc(F)c3)n2)ncn1	172277114	QCQHPONOHLDMMP-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)c1ccc[nH]1)Oc1ccc(F)cc1	173276915	UKGHZLBEGJSXJC-SNVBAGLBSA-N	320.324	1.565	50	20	DDGD	
CCOc1ccc(CC(=O)NNC(=O)c2cccc(C#N)c2)cc1	103403444	KCLUHYQNPUPZSH-UHFFFAOYSA-N	323.352	1.961	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1F)c1ccc2nncn2c1	103275085	KTWKKLZNBGGACS-UHFFFAOYSA-N	307.235	1.904	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2CCCC(C)(C)C2)n1	179180919	QUHYDYQLPAZYST-ZDUSSCGKSA-N	306.410	1.864	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cc(C)ccc2F)c1O	66076904	OIDVOPZLVHFKHH-UHFFFAOYSA-N	318.304	1.923	50	20	DDGD	
Cc1nc(CC(C)C)sc1C(=O)NNC(=O)c1cnn(C)c1	117679844	DUYPZHVWZVDFPF-UHFFFAOYSA-N	321.406	1.458	50	20	DDGD	
COc1ccc(Cl)cc1C(=O)NNC(=O)Cc1ccncc1	175800095	MEOVXLZFCIUGPJ-UHFFFAOYSA-N	319.748	1.747	50	20	DDGD	
CSC[C@@H](C)C(=O)NNC(=O)c1c(C)nc2ccccn12	66819610	XIIMRPLMTSBLBM-SECBINFHSA-N	306.391	1.403	50	20	DDGD	
COC(=O)C(=O)NNC(=O)NC[C@H]1CCC[C@@H]1c1ccccc1	1344568480	SAEKSPCUFVURBV-CHWSQXEVSA-N	319.361	1.074	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc3ccccc3cc2O)n(C)n1	60633235	SCAYZXXZBQIDIO-UHFFFAOYSA-N	324.340	1.662	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)N1CCOCC1)c1cccc(F)c1	172286712	GAFMLBYERMRNQT-NSHDSACASA-N	309.341	1.392	50	20	DDGD	
Cc1ccnc2nc(C(=O)NNc3cc(F)c(F)cc3F)nn12	178537476	IGVVEKMFMIVNBT-UHFFFAOYSA-N	322.250	1.607	50	20	DDGD	
Nc1cc(C(=O)NNC(=O)CCc2ccccc2)cc(Cl)n1	171213770	UVQCOKBKCFCVOE-UHFFFAOYSA-N	318.764	1.711	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(C)Cc2ccoc2C)c1	128482341	WQMUWWFCVYDYTQ-UHFFFAOYSA-N	315.373	1.789	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)CC2CCSCC2)n1	123678628	VSYBQMSLPPGSKT-UHFFFAOYSA-N	310.423	1.181	50	20	DDGD	
O=C(CN1CC[C@H](c2ccccc2)C1)NNC(=O)c1ccccc1	123356818	CLVPGYPAJPITGO-KRWDZBQOSA-N	323.396	1.937	50	20	DDGD	
COc1ccc(NNC(=O)c2cnc(C)nc2C)c([N+](=O)[O-])c1	180705367	BNJZHOHFMUULNK-UHFFFAOYSA-N	317.305	1.767	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNC(=O)c1c[nH]c2ccccc12	121352381	YXBBBAJWCTVXJZ-VIFPVBQESA-N	303.318	1.128	50	20	DDGD	
C=CCCC[C@H](C)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	181099917	RAWVNWFVGLDGRX-AAEUAGOBSA-N	303.428	1.112	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cc(Cl)c2c(c1)OCO2	122535918	SURXZZGSLHXSHC-UHFFFAOYSA-N	310.672	1.755	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNc1nnc(C2CC2)s1	184476429	OFSNFAQLRSCGDE-UHFFFAOYSA-N	315.358	1.809	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	121955736	VUTQGTHMAZSRCP-AWEZNQCLSA-N	306.362	1.344	50	20	DDGD	
CN(C)CC(=O)N1CCN(C(=O)c2cccc(CCl)c2)CC1	315563020	KEXZOXNDBDFZPV-UHFFFAOYSA-N	323.824	1.271	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2nc3ccccc3s2)cn1	123467626	FXEUNODZFACSSH-UHFFFAOYSA-N	301.331	1.105	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cc(F)cc(Cl)c1O	123410665	AFWXSCYNNGMSQR-UHFFFAOYSA-N	300.652	1.871	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1	183447033	LTFLPCQUWLRJHF-WEKMIXOTSA-N	313.332	1.612	50	20	DDGD	
O=C(NCCOc1ccccc1)NNc1ccc(Cl)nn1	126377340	GTGKZKIUUYCIIX-UHFFFAOYSA-N	307.741	1.835	50	20	DDGD	
O=C(CCc1cccnc1)NNc1ccc(C(F)(F)F)nn1	123994009	SKLFAJYNMSUUMP-UHFFFAOYSA-N	311.267	1.966	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)COc2cccc(C)c2)[nH]n1	78867913	YDDKVLCEWLCRLW-UHFFFAOYSA-N	316.361	1.511	50	20	DDGD	
NC(=O)c1ccc(NC(=O)NNC(=O)CC2CCCC2)cc1F	184856281	QOEIQLWRODVXSW-UHFFFAOYSA-N	322.340	1.658	50	20	DDGD	
CO[C@H](C)CCC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	180808513	UODZLQUDFCVYFH-MNOVXSKESA-N	312.341	1.556	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNc2ccccn2)cc1F	181407222	QIPYXJKODCNLMB-UHFFFAOYSA-N	318.308	1.701	50	20	DDGD	
O=C(CCN1C(=O)CCc2ccccc21)NNc1cnccn1	131513560	BCEGBRXECOGTID-UHFFFAOYSA-N	311.345	1.289	50	20	DDGD	
O=C(CO)NNC(=O)CCCc1cccc(C(F)(F)F)c1	184489395	IRPBUIQEBMNEPR-UHFFFAOYSA-N	304.268	1.168	50	20	DDGD	
O=C(CC1(O)CCCC1)NNC(=O)c1cccc2ncccc12	81358433	VUDKNEJYWXLFSN-UHFFFAOYSA-N	313.357	1.691	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CC1(O)CCCCC1	89486294	AGRKUCBFLNWPPA-UHFFFAOYSA-N	320.389	1.470	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccc(-c2ncn[nH]2)cc1	191930874	KUOOLPFQWKWHJA-UHFFFAOYSA-N	320.316	1.271	50	20	DDGD	
CN(C)C(=O)NNS(=O)(=O)c1cc(Cl)ccc1Cl	194856941	QLSFYRPRGWLVBP-UHFFFAOYSA-N	312.178	1.458	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ncccn2)c2ccc(F)cc2N1	44716926	AGNNFEZNIFSGES-JTQLQIEISA-N	301.281	1.185	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)SCc1ccc([N+](=O)[O-])cc1	131280227	DEYQJFFVTVHJCU-VIFPVBQESA-N	311.363	1.774	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)[C@@H]1Cc2ccccc2C(=O)O1	195212406	DKSWFKZLWUKOTR-AWEZNQCLSA-N	316.357	1.496	50	20	DDGD	
Nc1c(Cl)cc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1Cl	135943166	MXYIYIUOOMJFOO-VIFPVBQESA-N	318.160	1.516	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)C(=O)Nc2cc(C)nn2C)c1	131941059	YBRNNSDZWUIZRZ-UHFFFAOYSA-N	301.350	1.427	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)[C@@H]1CCCc2cccnc21	193176143	CZFVYNZMGIEALN-OAHLLOKOSA-N	324.384	1.761	50	20	DDGD	
CCNc1ncc(C(=O)NNc2nc3ccccn3n2)s1	191788572	ZWQVEHWEYBUWMN-UHFFFAOYSA-N	303.351	1.375	50	20	DDGD	
O=C(CCc1c[nH]c2ccccc12)NNC(=O)Cc1ccncc1	81026878	XOTVAUPTKGZSLI-UHFFFAOYSA-N	322.368	1.886	50	20	DDGD	
CCNC(=O)c1ccc(C)c(NC(=O)NNc2cnccn2)c1	92422806	KILYPQXYJDQNLT-UHFFFAOYSA-N	314.349	1.683	50	20	DDGD	
Cc1ccc(O)c(C=NNC(=O)CNC(=O)c2ccco2)c1	254578884	YXKFAPFWWJDZTB-UHFFFAOYSA-N	301.302	1.174	50	20	DDGD	
COCCC1(C(=O)NNC(=O)Cn2cnc3ccccc32)CC1	269450218	TUKBHKUVUTXCTR-UHFFFAOYSA-N	316.361	1.000	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@H]2CC[C@@H](C1)N2	269196310	QKZSEVRVDMHQFD-OLZOCXBDSA-N	310.829	1.705	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)C1(S(C)(=O)=O)CCCC1	269572216	BMMFOVOBTJNDLY-UHFFFAOYSA-N	314.382	1.935	50	20	DDGD	
CCCN(CCC)C(=O)CCC(=O)NNC(=O)c1ccccn1	264219376	XYJHBQZXXGLUEV-UHFFFAOYSA-N	320.393	1.271	50	20	DDGD	
CCO[C@@H](CCNC(=O)NNc1nccc(OC)n1)C(C)C	266861846	PEJPZRXKVNYRHO-NSHDSACASA-N	311.386	1.563	50	20	DDGD	
COCCC1(C(=O)NNC(=O)COc2ccccc2O)CCC1	268364882	DPMXKKPHNPEUGP-UHFFFAOYSA-N	322.361	1.125	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C(C)(C)c1ccccc1)n1cccn1	264639723	NXBKGJCHZIGXNC-LBPRGKRZSA-N	300.362	1.569	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)COCc2ccccc2)O1	268194036	SOHRITJDQUHAKP-KGLIPLIRSA-N	306.362	1.308	50	20	DDGD	
CC(C)C[C@H](C)NC(=O)NNC(=O)c1ccc2c(c1)OCCO2	269813849	VLBXWQUYGSKNAH-NSHDSACASA-N	321.377	1.836	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1C(=O)NNc1ncnc2nc[nH]c12	266507805	WWJIQFRZFOHXCE-UHFFFAOYSA-N	314.353	1.141	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cnn(C)c1-c1ccccc1	271734800	UBQUZFXLXCCQAS-UHFFFAOYSA-N	301.350	1.440	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)Cc1ccc(C)c(F)c1	275507729	SESXQFBTHRWXLW-UHFFFAOYSA-N	303.359	1.130	50	20	DDGD	
CC1CCC2(CC1)OC[C@@H](CNC(=O)NNc1cccnn1)O2	271952815	FCDBDYCHWJAWCY-MQYJIDSJSA-N	321.381	1.425	50	20	DDGD	
CSCCNC(=S)NNC(=O)CCc1ccc(O)cc1	273944995	GTTYWXMABKFMLI-UHFFFAOYSA-N	313.448	1.183	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CCOCC(F)F)c1ccccc1	277199570	FERJMEHVDDVYOO-UHFFFAOYSA-N	314.332	1.783	50	20	DDGD	
CC(C)(C)C(=O)NC1CCC(C(=O)NNc2cnccn2)CC1	279695425	IVJUAIINRNKWLG-UHFFFAOYSA-N	319.409	1.641	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cc(C(=O)OC)ccc1C	273449127	SSDWRBBYSSAEAU-VIFPVBQESA-N	307.350	1.980	50	20	DDGD	
COC1(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)CCC1	273038250	ZCYLVRZCFAFYMV-SNVBAGLBSA-N	310.325	1.310	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CCO[C@@H](C)C2)cc1	271834644	GNXZFTBGFXEQDB-QWHCGFSZSA-N	305.378	1.369	50	20	DDGD	
COCC1(C(=O)NNC(=O)CCc2ccccc2)CCOCC1	377749966	UOANSOZZUWHQLY-UHFFFAOYSA-N	320.389	1.210	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)c2ccc3ccccc3n2)O1	282743106	RWFRXMFNCVZTGJ-HFAKWTLXSA-N	313.357	1.809	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CCN(C)CC2)c1Cl	283039283	ZFQNVYKQNTXDBU-UHFFFAOYSA-N	316.814	1.312	50	20	DDGD	
COCCN(C)NC(=O)c1cc(F)ccc1Br	288141235	BLQMYIOXABQEAB-UHFFFAOYSA-N	305.147	1.811	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(C3CC3)no2)c(O)c1	281890751	QYQZRJZILBVENC-UHFFFAOYSA-N	301.302	1.641	50	20	DDGD	
Cc1ccc2c(C(=O)NNC(=O)C(=O)NC3CC3)csc2c1	281230015	UPGFMUZOUJWICN-UHFFFAOYSA-N	317.370	1.249	50	20	DDGD	
CC[C@H](C)[C@H](CNC(=O)NNc1nc(C)cc(OC)n1)OC	297779825	MAWGXYKAQPVZGT-ONGXEEELSA-N	311.386	1.481	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)Cc2cccnc2)[C@H]2CCC[C@H]21	296288048	IOTISBPENJLGBV-KGLIPLIRSA-N	316.405	1.875	50	20	DDGD	
CC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)[C@@H]1CCCCO1	296170153	AINRONUVWSRUHL-GJZGRUSLSA-N	319.405	1.907	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	809937215	LRGSTJFRMJLFSZ-UHFFFAOYSA-N	323.308	1.580	50	20	DDGD	
COC(=O)C1(C(=O)NNc2cc(C(F)(F)F)ccn2)CC1	295539123	KNKDYGIRXDCDJU-UHFFFAOYSA-N	303.240	1.497	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)CCc2ncc[nH]2)cc1	806337268	DNHMSPFUJUXNFP-UHFFFAOYSA-N	318.402	1.590	50	20	DDGD	
Cn1cncc1CC(=O)NNC(=O)Nc1cc(F)cc(F)c1	802002589	UGYKDTFKXPJCNR-UHFFFAOYSA-N	309.276	1.094	50	20	DDGD	
C[C@H](c1ccccc1)[C@](C)(O)C(=O)NNC(=O)[C@H]1CCCCO1	295749039	OPLXMVZUJUDYLS-MRRJBJDNSA-N	320.389	1.258	50	20	DDGD	
CN(C)c1ccnc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)c1	803437256	LIJMLSSVQKTDPW-UHFFFAOYSA-N	323.356	1.746	50	20	DDGD	
CN(C)N(C(=O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1	298120927	ZOOMSNVAOZKNET-LBPRGKRZSA-N	316.810	1.446	50	20	DDGD	
O=C(NNc1ccccn1)[C@H]1CCCN1C(=O)C(F)(F)F	807196277	SEAQCROVATUVRY-MRVPVSSYSA-N	302.256	1.078	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)CSCC#N)cc1	802117987	JVRHUJXSXBEKTO-UHFFFAOYSA-N	307.379	1.162	50	20	DDGD	
Cc1ccnc(NNC(=O)c2c(C)nn(C)c2Br)c1	801630037	KAVFDRDKUZBBIP-UHFFFAOYSA-N	324.182	1.951	50	20	DDGD	
CCSCC(=NNC(=O)C(=O)NC1CC1)c1ccccc1	807959918	GLNSEIRGISMBIS-UHFFFAOYSA-N	305.403	1.539	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1cc(OC)c(OC)cc1C(N)=O	299455951	VOGJMBYOTZPUPO-CMDGGOBGSA-N	319.317	1.185	50	20	DDGD	
C[C@@H](Oc1ccc(C=O)cc1)C(=O)NNc1ncncc1Cl	803153088	SIMSRVLNLHJIAB-SECBINFHSA-N	320.736	1.853	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)NC1CCSCC1	299554432	CEMCZNWCXIMXSS-UHFFFAOYSA-N	323.418	1.682	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNC(=O)N=c1cc[nH]cc1	802023933	AEIPKFQNPCJLKG-UHFFFAOYSA-N	317.349	1.012	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)CC[C@@H]2CCOC2)cc1	802120382	AMMHSYPASIXWIL-GFCCVEGCSA-N	320.393	1.722	50	20	DDGD	
O=C(O)CSCC(=O)NNc1nc(C(F)(F)F)cs1	819539609	BIPMIVGXKCMCFL-UHFFFAOYSA-N	315.298	1.423	50	20	DDGD	
COC(=O)C(C)(C)CC=NNC(=O)COCc1ccccc1	814853671	IVADXQPMDWAIFL-UHFFFAOYSA-N	306.362	1.895	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1ccc(C(F)(F)F)nc1Cl	816631198	JMWGZSONAXVUSO-UHFFFAOYSA-N	306.635	1.629	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)cc1)c1csnn1	814768505	XKUKKUQEHDYZSS-UHFFFAOYSA-N	303.347	1.325	50	20	DDGD	
O=C(NNC(=O)c1ccnnc1)c1ccc(OCC2CC2)cc1	817693633	NVJSIOZQPRERJP-UHFFFAOYSA-N	312.329	1.340	50	20	DDGD	
CC[C@@H](C(=O)NNc1nc2ccccc2n1C)N1CCCC1=O	816579565	VDTDAGJASTVAJW-LBPRGKRZSA-N	315.377	1.417	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NN=C1CCN(C(N)=O)CC1	812435178	ZRSPBAPSVJKGHV-JTQLQIEISA-N	322.340	1.240	50	20	DDGD	
Nc1c(C(=O)NNc2ccnc(F)c2)cnn1-c1ccccn1	816027892	OXXOTWIHZYUEQD-UHFFFAOYSA-N	313.296	1.141	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1cccc(O)n1	819710590	KUWPZDOXWWHMJU-UHFFFAOYSA-N	305.265	1.470	50	20	DDGD	
CCOc1ccccc1[C@@H](CC(=O)NN(C)C1CC1)NC(C)=O	819647795	RPZJOWIEBFPZFY-OAHLLOKOSA-N	319.405	1.778	50	20	DDGD	
CCOc1ccc(NNC(=O)C2(C(=O)NC3CC3)CC2)cc1	817910742	CURLNXIXQWDHKP-UHFFFAOYSA-N	303.362	1.587	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=O)c2ccc(Cl)nc2)o1	814316807	TWUKMBMUDOAXHU-UHFFFAOYSA-N	308.725	1.669	50	20	DDGD	
CCCCC(=O)N1CSC[C@@H]1C(=O)NNC(=O)CC1CC1	819140933	RPCVFJWJBRKQQM-LLVKDONJSA-N	313.423	1.026	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1cc(Cl)ccn1	728075993	DQDOLRMUOCUAKM-UHFFFAOYSA-N	316.708	1.937	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)nc(N)n1	828367862	XSDAPUMSYYKVAJ-BDAKNGLRSA-N	319.315	1.892	50	20	DDGD	
CCc1nocc1C(=O)NNC(=O)NCCc1cccs1	823810069	GWYADOLGKKCDIK-UHFFFAOYSA-N	308.363	1.485	50	20	DDGD	
O=C(NN=C1CCSCC1)C1CCN(c2ncccn2)CC1	728783818	IBENHBUZOFXOTH-UHFFFAOYSA-N	319.434	1.692	50	20	DDGD	
Cc1ccn(CC(=O)NNC(=O)COc2ccc(C)c(C)c2)n1	822195736	FFSXUUDYOGZWSQ-UHFFFAOYSA-N	316.361	1.035	50	20	DDGD	
C#C[C@@H](CC)NC(=O)NNC(=O)c1cc(Br)c[nH]1	491748247	XVFKWNUOBLEYAU-QMMMGPOBSA-N	313.155	1.133	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@H]1CCCCS1	826643814	BILVWKZOSNBKGI-AXFHLTTASA-N	301.412	1.028	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNC(=O)c1ccc2c(c1)OCCO2	491771392	OORIMOQANOWZBM-GFCCVEGCSA-N	317.345	1.204	50	20	DDGD	
CN1C(=O)CC[C@@H]1CC(=O)NN=c1sc2ccccc2n1C	820685598	JWXRNBPGOYKKDG-SNVBAGLBSA-N	318.402	1.183	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1sccc1Cl	829764264	ZIVFODKZFDYGEF-UHFFFAOYSA-N	311.816	1.694	50	20	DDGD	
CCN(CCO)NC(=O)CSCc1ccc(Cl)cc1	823833754	HTDADOJXLDUVMF-UHFFFAOYSA-N	302.827	1.919	50	20	DDGD	
CCN(CCO)NC(=O)[C@H](C)Cc1cncc2ccccc12	823884951	PZBUDMMKJNVSRT-CYBMUJFWSA-N	301.390	1.759	50	20	DDGD	
O=C(CNC(=O)c1ccccc1)NNc1ccc(F)c(F)c1F	728718798	TWIWNKXPFNDJDM-UHFFFAOYSA-N	323.274	1.977	50	20	DDGD	
CCC(CC)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C	496512194	KAXFPGSOVCLQSJ-UHFFFAOYSA-N	316.402	1.278	50	20	DDGD	
COC(=O)[C@H]1CCC[C@H](C(=O)NN(C)C(=O)OC(C)(C)C)C1	496949911	NMOAZQXEHNHIRF-QWRGUYRKSA-N	314.382	1.864	50	20	DDGD	
OB(O)c1ccc(CNCc2ccccc2OC2CCCC2)o1	585017226	PZYNNYDPZCKJPF-UHFFFAOYSA-N	315.178	1.571	50	20	DDGD	
O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@H](B(O)O)C3)o2)cc1	585077902	ZCZDDQZSPOFHEE-GFCCVEGCSA-N	316.122	1.904	50	20	DDGD	
CN1CC[C@H](C(=O)NN=c2sc3ccccc3n2C)CC1=O	906371044	HAWBKPGYFCESBT-JTQLQIEISA-N	318.402	1.040	50	20	DDGD	
C[C@H](NCc1cccc(B(O)O)c1)[C@@H](C)Oc1ccccc1F	585029731	SODQPVOCWKKHQF-QWHCGFSZSA-N	317.169	1.451	50	20	DDGD	
COc1cccc(NNC(=O)c2cccc(-c3nn[nH]n3)c2)n1	826217259	DYXZINDNHGGZPP-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
CCC1(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)CCCC1	495645646	UEICCRAVGKYESC-UHFFFAOYSA-N	313.398	1.629	50	20	DDGD	
O=C(CCCC(=O)C1CC1)NNC(=O)COc1ccccc1O	823180402	QZUZDPWXRDOFKO-UHFFFAOYSA-N	320.345	1.068	50	20	DDGD	
CCCCCOC1CCN(C(=O)c2cccc(B(O)O)c2)CC1	584953425	CSEUNHRGYGOORF-UHFFFAOYSA-N	319.210	1.178	50	20	DDGD	
C[C@H]1CN(CCNC(=O)/C(C#N)=C/c2ccc(O)cc2)CCO1	490972822	KVMRXAMANDCWLI-LERPTODRSA-N	315.373	1.136	50	20	DDGD	
CN(NS(=O)(=O)CC(C)(C)CC#N)C(=O)OC(C)(C)C	497105502	GRVRNOTWXWVHPF-UHFFFAOYSA-N	305.400	1.628	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(-c2cnn(C)c2)o1	825414685	MYHZTZIODHWMSI-UHFFFAOYSA-N	305.338	1.424	50	20	DDGD	
CN(CC(=O)NNc1ncncc1Cl)C(=O)OC(C)(C)C	495524622	PRYBQPXTQFSUMW-UHFFFAOYSA-N	315.761	1.440	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc(C(=O)O)cc1	736900859	SDFDHDADHQRKFR-UHFFFAOYSA-N	305.334	1.140	50	20	DDGD	
O=C(NCC[C@@H]1C[C@H]2CC[C@H]1C2)c1cc(B(O)O)ccc1F	584935451	KTEKFQPREBBQLU-SDDRHHMPSA-N	305.158	1.062	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2C[C@H](C)O[C@@H]2C)cc1C	834932965	AAAXBUSLNMUHIB-NWDGAFQWSA-N	303.362	1.911	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@](C)(CC(=O)OC)c1ccccn1	491132483	NLDKPIBTBNUTBW-LPQFERQCSA-N	317.345	1.420	50	20	DDGD	
CC(C)c1ncsc1C(=O)NNC(=O)NCC(F)(F)F	831754157	IQORSTYQIWCFRI-UHFFFAOYSA-N	310.301	1.773	50	20	DDGD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NNc1ccccc1C(=O)O	833535673	LMHASEBAOAYUIO-QWRGUYRKSA-N	308.334	1.412	50	20	DDGD	
COc1c(Br)cccc1CN1CC[C@H](B(O)O)C1	585076841	QDJUFSXIFFNIMU-JTQLQIEISA-N	313.988	1.506	50	20	DDGD	
CCC(CC)[C@H]1C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CCO1	584972291	SEDBOAMOOVJXSP-JKSUJKDBSA-N	319.210	1.080	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(N(C)C(=O)OC)cc1	495177611	ZQOSXWAWJSHLJA-UHFFFAOYSA-N	324.337	1.078	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1ccc(Br)cc1	496959145	DDNIQCZBSWFSGM-UHFFFAOYSA-N	323.168	1.341	50	20	DDGD	
CNc1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)cc(Cl)n1	833250141	CNYVTLPVHJFNIC-VIFPVBQESA-N	312.757	1.107	50	20	DDGD	
O=C(NNC(=O)[C@@]1(Cl)C[C@H]2CC[C@H]1O2)NC1CCCC1	906438054	HUWXVFBRRKWJBQ-GIPNMCIBSA-N	301.774	1.188	50	20	DDGD	
CC(=O)NNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1	730585371	VCSGUGYZQHCSNX-UHFFFAOYSA-N	314.223	1.536	50	20	DDGD	
O=C(NNc1cccnn1)N[C@@H]1C[C@@H]1c1c(F)cccc1F	736388135	OWGJLPNCUOTELO-GZMMTYOYSA-N	305.288	1.937	50	20	DDGD	
O=C(NNC(=O)c1cccc(Oc2cnccn2)c1)NC1CC1	736550457	PDTIUBHPBMSEDS-UHFFFAOYSA-N	313.317	1.375	50	20	DDGD	
CCCCCCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	736446835	QKLMBWNDNFWXDC-UHFFFAOYSA-N	316.365	1.598	50	20	DDGD	
COc1c(F)ccc(F)c1C(=O)NNc1ccc(C(=O)O)cn1	833727415	WETFQSGJEXJRFT-UHFFFAOYSA-N	323.255	1.824	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@]1(C)C[C@@H]1Br	905240100	ZMXKFPLKNAYIJO-GWCFXTLKSA-N	311.179	1.930	50	20	DDGD	
N#Cc1cnc2c(Cl)cccc2c1N1CC[C@@H](B(O)O)C1	585078889	OVRKHDJHWRBOHS-SNVBAGLBSA-N	301.542	1.813	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)[C@@H](C)C2CCC2)C[C@@H](C)O1	839473803	JQPUCAHBDAFIRY-XQQFMLRXSA-N	311.426	1.069	50	20	DDGD	
O=C(CCCc1ccc2nc(O)[nH]c2c1)NNC(=O)NC1CC1	730212141	DFGLWZYYTVLDAE-UHFFFAOYSA-N	317.349	1.084	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNC(=O)C1CCC1)Cc1ccccc1	732438728	CCWXHXOFQLJFQD-HNNXBMFYSA-N	318.421	1.290	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)[C@H]2CCCCO2)cc(O)n1	833242246	ITMWNVMNUPGNKW-GFCCVEGCSA-N	307.350	1.241	50	20	DDGD	
COC(=O)CCCN(Cc1ccccc1)S(=O)(=O)CCl	830903532	LFZIGAUSKLXAIW-UHFFFAOYSA-N	319.810	1.968	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)[C@H]1C[C@H]2CC[C@H]1O2	834953015	UBQCYRDTETVCOD-IJLUTSLNSA-N	305.334	1.069	50	20	DDGD	
Cc1cc(C(=O)OC[C@H](C)CBr)ncc1C(N)=O	838176130	WAPWUOOKIPMYCQ-SSDOTTSWSA-N	315.167	1.677	50	20	DDGD	
CCC(C)(C)OCC(=O)NNC(=O)Cn1cnc2ccccc21	837309348	KGEAZNOQCZULMP-UHFFFAOYSA-N	318.377	1.389	50	20	DDGD	
OB(O)c1ccc(CNC2CC(c3cccc(Cl)c3)C2)o1	585038590	CKVVKRVLBBQVGE-UHFFFAOYSA-N	305.570	1.649	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1CC(=O)N(c2ccc(F)c(C)c2)C1	837625108	IEGGAGCANLBDHD-LBPRGKRZSA-N	323.368	1.096	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2c[nH]nc2-c2cccnc2)n1	730421396	XLGQDFGPGQRTHH-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@]2(C)CCOC2)cc1	733351350	APYYFVRRSJZQSB-INIZCTEOSA-N	305.378	1.620	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1C[C@H](c2ccc(F)cc2)C[C@H]1C	736628918	LDKPWLLBVBZPTB-MBNYWOFBSA-N	321.396	1.949	50	20	DDGD	
CSc1cccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	831047581	STVQGSRZPLFJKR-CABZTGNLSA-N	309.391	1.986	50	20	DDGD	
C=C[C@@H]1OCCC[C@H]1NC(=O)NNC(=O)c1ccccc1C	836193903	YENRLZWZGAILDM-KGLIPLIRSA-N	303.362	1.673	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H]1C(=O)O)c1cc2c(s1)CCCCC2	739455223	XOSVMMYNHYLZRY-UWVGGRQHSA-N	322.386	1.499	50	20	DDGD	
CC(C)(O)[C@@H](Oc1ccccc1)C(=O)N1CC=C(C#N)CC1	831488573	TXHKLIFWYNWCSM-HNNXBMFYSA-N	300.358	1.887	50	20	DDGD	
CCn1cc([C@H](C)NC(=O)NNc2ncncc2Cl)cn1	836645790	WQQUYLLUZXDMIR-QMMMGPOBSA-N	309.761	1.734	50	20	DDGD	
C[C@@H](Cc1ccsc1)NC(=O)NNC(=O)CC(F)(F)F	919658196	GBNSXNJIVZOPJA-ZETCQYMHSA-N	309.313	1.962	50	20	DDGD	
Cc1ccc(C)c2c1NC(=O)C2=NNC(=O)[C@@H]1CCO[C@H]1C	842560339	XCKGTFIOQVESGO-WDEREUQCSA-N	301.346	1.501	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@H](C)CCOC)cc1	840401239	BXCQLCBAMOMPLV-GFCCVEGCSA-N	307.394	1.866	50	20	DDGD	
C[C@H]1CN(C[C@@H](C)C(=O)NN=Cc2cscn2)C[C@@H](C)O1	918711608	SOHROSIQDHLEJP-UTUOFQBUSA-N	310.423	1.339	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2ccc(OCC(F)(F)F)cc2)N1	748702789	AECFCWHWFCKQKP-JTQLQIEISA-N	317.267	1.349	50	20	DDGD	
CC1(C)CC[C@H](C(=O)NNc2ccccc2S(N)(=O)=O)C1	842263076	ZFRLKYOTNPPHDE-JTQLQIEISA-N	311.407	1.603	50	20	DDGD	
CO[C@]1(C=NNC(=O)c2cn(C)c3ccccc23)CCOC1	841616163	HIQNWYQPCORPJB-INIZCTEOSA-N	301.346	1.699	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NC[C@H]2CNCCCO2)c(C)c1	842009915	GEBJGBIARNAPED-CQSZACIVSA-N	306.410	1.616	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)C(=O)N2CCCC2)cc1	748136871	UVJPJPPDMFLRQB-UHFFFAOYSA-N	303.362	1.548	50	20	DDGD	
Cc1c(NNC(=O)Cn2ccccc2=O)cccc1[N+](=O)[O-]	748670659	VPOFPBFRPAVYFI-UHFFFAOYSA-N	302.290	1.208	50	20	DDGD	
CCn1ncnc1C=NNC(=O)COc1cc(C)ccc1C	848401108	UJWLDCBBHJWYDD-UHFFFAOYSA-N	301.350	1.444	50	20	DDGD	
COc1cc(F)c(C=NNC(=O)[C@H]2CCCCO2)cc1OC	844602304	ZMLYYSWHFKATNJ-GFCCVEGCSA-N	310.325	1.862	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@H](C[C@H]1CCCO1)C(F)(F)F	845299792	NULLLKRPDWXSSO-ZJUUUORDSA-N	323.315	1.474	50	20	DDGD	
CN(CCO[Si](C)(C)C(C)(C)C)CCN1C(=O)CNC1=O	844344508	ZZDFOKHMCDLQED-UHFFFAOYSA-N	315.490	1.492	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)NCCCC1CCCC1	748613678	HJVOAJPOKOYAST-LBPRGKRZSA-N	315.414	1.339	50	20	DDGD	
O=C(NCC[C@@H]1C[C@H]2C=C[C@H]1C2)NNc1nc2ccccn2n1	847404068	SRCBMMCHNFSSPO-RWMBFGLXSA-N	312.377	1.958	50	20	DDGD	
CC(C)CCCCCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1	747874902	URZRYBSNFPDVMZ-GFCCVEGCSA-N	318.439	1.175	50	20	DDGD	
CCn1cncc1C=NNC(=O)CNc1ccc(OC)cc1	841605439	YVKYVPWXZMMGKO-UHFFFAOYSA-N	301.350	1.474	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=C1C(=O)Nc2ccccc21	916364105	COXMCQOAWZFUSK-LBPRGKRZSA-N	314.389	1.581	50	20	DDGD	
Cc1cc(C(=O)NNc2ccnc(N(C)C)n2)nn1C(C)(C)C	740102446	JYDVRHQRMGGGQU-UHFFFAOYSA-N	317.397	1.559	50	20	DDGD	
O=C(NNc1ncncc1F)[C@H](C[C@H]1CCCO1)C(F)(F)F	846212928	ABBJIIAATOBZEI-SFYZADRCSA-N	322.262	1.806	50	20	DDGD	
CC1=C(C)C[C@@H](C(=O)NNc2nc(O)c3cnn(C)c3n2)CC1	843799333	WBSHNWYXNUEVMW-JTQLQIEISA-N	316.365	1.649	50	20	DDGD	
CC[C@](O)(CC(=O)NNC(=O)NC1CCCC1)c1ccccc1	840292616	GVXRALLHXJTQRO-KRWDZBQOSA-N	319.405	1.947	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H](NC(=O)NNc2ccc(Cl)cc2F)C1	922792193	RMAFTFLAOMXWOO-APPZFPTMSA-N	314.748	1.759	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1csc2cncn12	749191656	XJPBAJJXLYCLLR-UHFFFAOYSA-N	315.358	1.269	50	20	DDGD	
Cc1cc(OS(=O)(=O)CCCCCl)ccc1C(N)=O	849465573	ZBMNTGZXJBXHPE-UHFFFAOYSA-N	305.783	1.822	50	20	DDGD	
O=C1C[C@@H](CNC(=O)NNc2ccc(Cl)cc2F)CN1	922868696	YOLAXDIQVGIAOB-SSDOTTSWSA-N	300.721	1.241	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2cnc(C3CC3)nc2)ccn1	841622687	AZRRWVSWWNPXFV-UHFFFAOYSA-N	310.361	1.579	50	20	DDGD	
CC(C)(CC(=O)NNc1ccccc1S(N)(=O)=O)C1CC1	842255444	CMWJNXCCOJFLQA-UHFFFAOYSA-N	311.407	1.603	50	20	DDGD	
C[C@@H](CCN)NC(=O)NNC(=O)Cc1ccc2ccccc2c1	841967039	JRQMQKIXJODMMT-LBPRGKRZSA-N	314.389	1.450	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)COc2ccccc2[N+](=O)[O-])CCN1C	741457260	OWCGZHUPGOASST-LLVKDONJSA-N	320.349	1.560	50	20	DDGD	
CC(C)c1ccc(OCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	843647062	MFXXLFUXFRSETK-WFASDCNBSA-N	320.389	1.761	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNc2ccc(F)cc2OC)C1	846641756	NUJGUGFIUTXJKW-SNVBAGLBSA-N	309.341	1.536	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)[C@H]1CCc2nncn2C1	928337220	NWFBWJMYAUOXJK-JTQLQIEISA-N	305.769	1.946	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)c2ccccn2)C[C@H]1Br	856752446	JIDBSEUCQVVIAI-SCZZXKLOSA-N	305.197	1.533	50	20	DDGD	
CC#CCCCC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855833634	PNJSEIDYPOZGPD-UHFFFAOYSA-N	309.410	1.270	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)NC[C@]2(C)C[C@H]2Br)C1	857394785	SYURJXSCDHJTJK-WXHSDQCUSA-N	317.227	1.535	50	20	DDGD	
CCN1CCN(C(=O)NC[C@]2(C)C[C@@H]2Br)CC1	856948686	NUPGIOYXPCTUCW-JQWIXIFHSA-N	304.232	1.507	50	20	DDGD	
CC(C)N1CC(=NNC(=O)COc2ccc(C#N)cc2)[C@H](C)C1	754253313	CQJYWCXYGHVZLU-CYBMUJFWSA-N	314.389	1.769	50	20	DDGD	
CCN1C[C@H](C(=O)OC[C@@H](CBr)C2CC2)CC1=O	859493178	BOFRQZDYSCENQO-GHMZBOCLSA-N	318.211	1.819	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN(CCc2ccccc2)C1)C1CC1	854181169	VHOQPXAZFWMJPY-INIZCTEOSA-N	315.417	1.499	50	20	DDGD	
COCC1(C(=O)NC[C@@]2(C)C[C@H]2Br)CCOCC1	857389006	XEQSWCCJGJCWSM-ZYHUDNBSSA-N	320.227	1.719	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(F)n2)C[C@@H](C)O1	852235601	UMKMSDCCZBLRGZ-ILWJIGKKSA-N	310.329	1.121	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC(C)(C)c2ccccc21	757858309	SXLCKLBBLKFHES-UHFFFAOYSA-N	303.406	1.978	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)OCC(F)(F)F)[nH]n1	853428530	KZSGBUGMEWRRMC-UHFFFAOYSA-N	308.216	1.209	50	20	DDGD	
Cn1c(C(=O)NC[C@]2(C)C[C@H]2Br)ccc1[N+](=O)[O-]	857400506	BXENVQRHLFEJKB-KCJUWKMLSA-N	316.155	1.837	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc2nccn2c1)C1CC1	855100354	ACCWUDKKJIDHNU-SECBINFHSA-N	303.391	1.242	50	20	DDGD	
CC(=O)N/C(=C\c1cccs1)C(=O)NCCCSC#N	854366771	GHBADHAIRWEFCC-WQLSENKSSA-N	309.416	1.946	50	20	DDGD	
CN(CC1(C)COC1)C(=O)NNC(=O)CCCc1ccccc1	858183846	GQIKFVBSMDDDSB-UHFFFAOYSA-N	319.405	1.718	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)[C@@H]1CCN(CC(F)(F)F)C1	857358173	RIQZSSVIMDFBIO-SSDOTTSWSA-N	323.706	1.457	50	20	DDGD	
CCN1CCN(CCC(=O)NNc2cccnc2Cl)CC1	754483991	UMQLRUGYIXSJAT-UHFFFAOYSA-N	311.817	1.206	50	20	DDGD	
C[C@]1(CNC(=O)CCCn2ccnc2)C[C@H]1Br	857400362	ZDWSIZNZYYSLRW-ZYHUDNBSSA-N	300.200	1.953	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H](C2CCOCC2)C1)C1CCCC1	753338656	DHBVYMNNMPDDOO-AWEZNQCLSA-N	309.410	1.666	50	20	DDGD	
CC[C@H](C)CCNC(=O)NNC(=O)COc1ccccc1F	851915753	SAYPRWDGKYDDCE-NSHDSACASA-N	311.357	1.971	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNc1ccc(C)c(C(=O)OC)c1	857263820	CXDIJFGEQDGPRR-SNVBAGLBSA-N	322.361	1.814	50	20	DDGD	
CCCNC(=O)CCC(=O)NC[C@]1(C)C[C@@H]1Br	857396392	BRYPPWSYFVDUDG-CABZTGNLSA-N	305.216	1.583	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc2c(cnn2C(C)C)c1	756622824	ZEQAZOKDWJKRMT-UHFFFAOYSA-N	305.338	1.416	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc2nc(O)n(C(C)C)c2c1	854213381	FJAYZBAJRIBCQF-UHFFFAOYSA-N	304.350	1.740	50	20	DDGD	
COCC[C@@H]1NC(=O)N(C[C@]2(C)C[C@H]2Br)C1=O	857227247	JAWNBYYXNBKDRL-RNSXUZJQSA-N	305.172	1.117	50	20	DDGD	
Cn1nncc1NNC(=O)CCCNc1ccc([N+](=O)[O-])cc1	857271179	CZHRCRSAFSFOQX-UHFFFAOYSA-N	319.325	1.059	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCOc1ccccc1Cl	854926200	WXVHFCVDIUCWQZ-UHFFFAOYSA-N	301.799	1.576	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cnn(C3CCC3)c2)nc1	935106045	DUAHRAQULCOKMQ-UHFFFAOYSA-N	315.333	1.547	50	20	DDGD	
CCNC(=O)CCC(=O)NNc1nc2ccccc2[nH]c1=S	862294051	WOCFEPGTCFYZLK-UHFFFAOYSA-N	319.390	1.652	50	20	DDGD	
CCCOc1cc(C)ccc1NC(=O)NNC(=O)c1cn[nH]c1	860478408	XQHYXCJWDSWQPN-UHFFFAOYSA-N	317.349	1.973	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1Cl	763816738	MXMLTPGZYWIHOE-UHFFFAOYSA-N	318.160	1.735	50	20	DDGD	
CNC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)CC(C)(C)CCl	867034621	XWSOWWLSYCYULR-UWVGGRQHSA-N	310.847	1.086	50	20	DDGD	
Cn1ncc(C(=O)NNCC(F)(F)C(F)(F)F)c1C1CC1	863094054	KVYZIJHHTZGLBT-UHFFFAOYSA-N	312.242	1.730	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)C1(O)CCSCC1	765219544	HWEBFOOTMHLXOP-UHFFFAOYSA-N	322.312	1.197	50	20	DDGD	
CCc1cccc(OCC(=O)NNC(=O)Cc2cc(C)[nH]n2)c1	869013235	RULWRNSJKGWPSS-UHFFFAOYSA-N	316.361	1.049	50	20	DDGD	
COc1ccc(NNC(=O)[C@]2(C)COc3ccccc3O2)nc1	861174096	HDEZPOJKYJWJDQ-INIZCTEOSA-N	315.329	1.763	50	20	DDGD	
COc1ccccc1C(=O)C(=O)NNc1ccc([N+](=O)[O-])cc1	760916005	TZTAPQJQXPWQMN-UHFFFAOYSA-N	315.285	1.929	50	20	DDGD	
C[C@H]1CN(C)CC1=NNC(=O)c1cc(-c2cccs2)[nH]n1	764787848	QLXOEAKZBVRGJZ-VIFPVBQESA-N	303.391	1.806	50	20	DDGD	
Cn1cccc1CNC(=O)NNc1ccccc1S(C)(=O)=O	765802292	KGOXNWYNILGXBG-UHFFFAOYSA-N	322.390	1.255	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)N(C)NC(=O)OCc1ccccc1	862289627	TVJLSEDSSNMJSR-CYBMUJFWSA-N	322.361	1.876	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCCN1CCSCC1	866778219	CDDMPUBEOBCYIC-UHFFFAOYSA-N	314.904	1.220	50	20	DDGD	
C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccc(B(O)O)cc1	867296353	KRTSRKKMQWIUFF-ONGXEEELSA-N	315.100	1.169	50	20	DDGD	
CC(C)C(=O)NCCN(C)S(=O)(=O)CC(C)(C)CCl	867038953	SMPOXQREJBWOHC-UHFFFAOYSA-N	312.863	1.285	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NC[C@@H](CO)c1ccccc1	866923074	LTFOTJZQDIFIKW-ZDUSSCGKSA-N	319.854	1.947	50	20	DDGD	
CN(C)c1cc(F)c(/C=C(\C#N)S(=O)(=O)N(C)C)cc1F	863189542	AQWDZSSBETXLAW-BJMVGYQFSA-N	315.345	1.787	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(=O)c2ccccc2n1C	865014962	RKXJABBXZVCBNQ-UHFFFAOYSA-N	316.361	1.283	50	20	DDGD	
CC(=O)c1cccc(C(=O)NNC(=O)CNc2ccccc2)c1	767839320	CFJDDWNWEPDEAF-UHFFFAOYSA-N	311.341	1.762	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1cccc2c1OCCC2=O	760962232	VBGKDSYOXMDLOD-UHFFFAOYSA-N	305.334	1.851	50	20	DDGD	
CNc1ccc(C(=O)NNc2ncc(F)cn2)cc1[N+](=O)[O-]	760905916	CELSJMQUXBYHGK-UHFFFAOYSA-N	306.257	1.323	50	20	DDGD	
Cc1cc(C)n(-c2cccc(NCc3cccc(B(O)O)c3)c2)n1	864025995	UJOPDJZMJIZFCB-UHFFFAOYSA-N	321.189	1.781	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C	861764982	HRWSOXGDDWPUFR-YWDSYVAPSA-N	320.389	1.445	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1cnn(Cc2ccccc2)c1	875097422	KIAQTXJJINLXJY-UHFFFAOYSA-N	317.349	1.344	50	20	DDGD	
CO[C@H](C)CC(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874952012	WQAPDWXVQBPICN-SNVBAGLBSA-N	310.423	1.495	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)N[C@@H]1CC12CCC2	873068806	ALXTUBQNGMFZKJ-LLVKDONJSA-N	324.425	1.202	50	20	DDGD	
CSSCCNC(=O)N[C@@H]1Cc2ccccc2NC1=O	875570215	ZCAACNRCTUDYRE-LLVKDONJSA-N	311.432	1.860	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1sccc1Br	1119121694	WBIFINZEQMXQEU-UHFFFAOYSA-N	322.184	1.923	50	20	DDGD	
COC[C@@](C)(O)C(=O)NNC(=S)Nc1ccc(C)cc1C	873759154	JEHLEUTUJIOFFL-CQSZACIVSA-N	311.407	1.018	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cc2ccccc2CO)nc1	779825347	SJYMMRPMMXLYAE-UHFFFAOYSA-N	315.329	1.046	50	20	DDGD	
C[C@@]1(CNC(=O)NCC(=O)N2CCCC2)C[C@@H]1Br	1118752487	OXMICBBACZISQW-CABZTGNLSA-N	318.215	1.082	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CN(CC)C2CC2)c1	874950207	OMPQCJRLQZJOIJ-UHFFFAOYSA-N	316.430	1.470	50	20	DDGD	
CCC(CC)N1C[C@@H](C(=O)NNc2ccc(F)cn2)CC1=O	874651513	PGQDPMIMJVIHLL-JTQLQIEISA-N	308.357	1.701	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CN2CCCC2=O)cc1CC	1119662077	BOWHIQIEVVWHNK-UHFFFAOYSA-N	317.389	1.195	50	20	DDGD	
COC(=O)c1ccc(F)c(NC(=O)NNc2ncc(F)cn2)c1	775497755	DVPICRYYPSPNHK-UHFFFAOYSA-N	323.259	1.690	50	20	DDGD	
C[C@H](CBr)COC(=O)[C@H]1CCCN(C(N)=O)C1	770317965	LRMZINCNSFWKFA-BDAKNGLRSA-N	307.188	1.351	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H]1CCc2ccccc2OC1	882163237	OAHROVREFBHWMC-GFCCVEGCSA-N	303.811	1.929	50	20	DDGD	
Cn1cc([C@H](O)C(=O)NNc2ccccc2C(F)(F)F)cn1	773751827	OERFTXWCIIBBRS-NSHDSACASA-N	314.267	1.616	50	20	DDGD	
Cc1cc(NNC(=O)c2cccc([S@@](C)=O)c2)nc(C)n1	771734974	KPCOJCLMUUSYAT-OAQYLSRUSA-N	304.375	1.588	50	20	DDGD	
Cc1ccc2c(c1)CN(C(=O)NNC(=O)c1cccnn1)CC2	883854149	ZCSMGAQOBHBUBN-UHFFFAOYSA-N	311.345	1.198	50	20	DDGD	
N#CCN(C(=O)COC(=O)/C(C#N)=C/C1CC1)c1ccccc1	786680766	MUOVVRAVYHBJND-GXDHUFHOSA-N	309.325	1.946	50	20	DDGD	
COC[C@H](NC(=O)NNc1cccc(C#N)c1)[C@H]1CCCO1	789337106	YPMDYYZNLZVXFG-UONOGXRCSA-N	304.350	1.378	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCCOc1ccccc1F	887142173	YMGJJGBNYNTEOJ-UHFFFAOYSA-N	306.337	1.936	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@]1(C)Cc2ccccc2C(=O)O1	887140535	JGOZVCDAKSAUFZ-KRWDZBQOSA-N	314.341	1.109	50	20	DDGD	
CC1(C)CC[C@H](C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1	781557822	VRXMREWNRUXCIU-FZMZJTMJSA-N	318.373	1.800	50	20	DDGD	
CC1(C)COc2c(C(=O)NNC(=O)Cc3cc[nH]n3)cccc21	789933954	JLDQSYDYTWLHDU-UHFFFAOYSA-N	314.345	1.083	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)c1ccc(F)cn1	784585183	KPYYRTFZHRXNRE-UHFFFAOYSA-N	307.256	1.200	50	20	DDGD	
CCOc1ccc(N2CCN(C[C@@H]3[C@H](C)[C@@H]3Cl)CC2)nn1	895466367	RZNGRVJAIIQDTK-ZOWXZIJZSA-N	310.829	1.871	50	20	DDGD	
Cc1nn[nH]c1C(=O)NNc1ccc(F)cc1Br	789994626	ZACDPMVLVCLQKA-UHFFFAOYSA-N	314.118	1.772	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N[C@@H]1CC(C)(C)OC1(C)C	781917972	OUSNVGZQGRXABL-NWDGAFQWSA-N	313.442	1.504	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)c(C)c1	891957951	RBNFHCWJABLYKK-XFBWCDHKSA-N	315.373	1.088	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)C3=CCOCC3)cc2C1	792825847	BYTLYSCCCJGHEM-JTQLQIEISA-N	320.414	1.981	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cn2c(n1)CCCC2	799705166	RMVCGXWXMOZTPT-UHFFFAOYSA-N	301.306	1.885	50	20	DDGD	
CC(=NNC(=O)NCCc1cccs1)c1ccc(O)nn1	790159543	JEQHCUPDMCVREJ-UHFFFAOYSA-N	305.363	1.510	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1CC[C@@H](CC(=O)OC)[C@@H]1C	794486179	OUDFUQLXFALOPN-STQMWFEESA-N	311.426	1.800	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccc(-n2cccc2)nc1	791258104	AEOJIGAUHRDVRK-UHFFFAOYSA-N	319.328	1.672	50	20	DDGD	
CC[C@H](C)CC[C@H](O)CC(=O)NNC(=O)Cc1ccncc1	793600256	BNNKBSBKLWDXGF-JSGCOSHPSA-N	307.394	1.349	50	20	DDGD	
COCc1cc(C=NNC(=O)CCc2ccc(OC)cc2)no1	794901250	KJBXIICHKBXYBN-UHFFFAOYSA-N	317.345	1.913	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)c1ccccn1	792760725	CQMONAIOOXPJQY-XNIWICEBSA-N	309.369	1.237	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1	791220253	COYBBPFLQBMPPL-ZDUSSCGKSA-N	310.357	1.886	50	20	DDGD	
C[C@@H]1CSCC1=NNC(=O)COc1ccccc1[N+](=O)[O-]	794876591	IKJNNAUXPHMVEI-SECBINFHSA-N	309.347	1.829	50	20	DDGD	
CCCCn1ncc(C(=O)NNc2nc3ccccn3n2)c1C	791264255	RNIDOYTTWINJTP-UHFFFAOYSA-N	313.365	1.791	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)Cc2ccc3n[nH]cc3c2)n1	793799810	KHIRSLYJHKGMGN-UHFFFAOYSA-N	317.740	1.274	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ccc3c(c2)OCO3)c1Cl	1319778371	XQMPIPAWWWBAFC-UHFFFAOYSA-N	307.697	1.198	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)c2ccccc2Cl)CCCO1	1319220449	ZAAYRZJEWPYKBX-AWEZNQCLSA-N	311.769	1.853	50	20	DDGD	
N#Cc1ccc(CNC(=O)NNc2nncc(N)c2Cl)cc1	1324020854	IRWJOXQQLVOREZ-UHFFFAOYSA-N	317.740	1.410	50	20	DDGD	
CN[C@H](C)CCNC(=O)NNc1cccc(Br)n1	1326133748	RQDFYQBALDRXSX-MRVPVSSYSA-N	316.203	1.468	50	20	DDGD	
CCOCCCC(=O)NNC(=O)c1cncn1-c1ccccc1	1248693567	XKABXBNBEKSGSS-UHFFFAOYSA-N	316.361	1.450	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@@H]2CCO[C@H](C)C2)cc1	1320536623	WWSPFVXLLZIPHZ-VXGBXAGGSA-N	321.377	1.454	50	20	DDGD	
CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NNc1ccn(C)n1	1321105415	NTIUKMJQAOOTIY-UAWPZABVSA-N	323.422	1.121	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ncoc2[C@@H]2CCCO2)n1	1320967646	MANOTZZWAXVMFG-LURJTMIESA-N	324.728	1.309	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)c2cccc(C#N)c2)c(C2CC2)n1	1321309107	IXLNYXGTGNEDGW-UHFFFAOYSA-N	321.340	1.609	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccc(Cl)nn2)c1C(F)(F)F	1323002074	TZFDTSIMLKVPHO-UHFFFAOYSA-N	320.662	1.639	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CN2CC3CCC2CC3)cc1	1325512845	MUXSSSRHUBRFRA-UHFFFAOYSA-N	312.373	1.194	50	20	DDGD	
Cn1ccc(NNC(=O)Cc2ccc(Br)cc2)n1	1324864682	OVJJRZXGXFVXQZ-UHFFFAOYSA-N	309.167	1.868	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H](C)Oc1cccc(OC)c1	1330726938	WYTBJWDQKWEKIT-SNVBAGLBSA-N	311.338	1.375	50	20	DDGD	
Cn1ccc(NNC(=O)C2CC(OCc3ccccc3)C2)n1	1261383523	OFXXVFGYBMXIHV-UHFFFAOYSA-N	300.362	1.859	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@@H](C)[C@H]2CCC(=O)N2)o1	1348135438	WPORTBHHBRARBT-DTWKUNHWSA-N	305.338	1.027	50	20	DDGD	
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NNC(=S)NC(C)(C)C	1350573106	HUGVMIKKRLRRST-MRVPVSSYSA-N	311.455	1.499	50	20	DDGD	
O=C(O)Cc1cccc(C(=O)NNc2nc3ccccc3[nH]2)c1	1602134677	BCJDNDZXHMOPRW-UHFFFAOYSA-N	310.313	1.947	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNc2ccc(F)c(C(=O)O)c2)CC1=O	1605322628	RRQHPIHLHXWVLF-VIFPVBQESA-N	323.324	1.226	50	20	DDGD	
Cc1cccnc1C(=O)NN[C@@H](Cc1ccc(F)cc1)C(=O)O	1600589753	IKYRGWVQANAORW-ZDUSSCGKSA-N	317.320	1.459	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@H](Cc2ccccc2)C(=O)O)cn1	1605491352	YFHIFJUIRYDIPO-KEQVLUGWSA-N	324.340	1.139	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccc[nH]2)cc(C(=O)O)c1	1607690731	PIULAGXFOREORO-UHFFFAOYSA-N	302.290	1.488	50	20	DDGD	
COCC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1	1549321374	RWQFGWOWCQJQHM-HOCLYGCPSA-N	317.389	1.017	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1sc(C)nc1C	1549319992	XOQLRERKLIDMBF-STQMWFEESA-N	322.434	1.463	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H]2CCCO[C@H]2c2nccn2C)o1	1549308523	HZVQKGAACINUCY-UONOGXRCSA-N	316.361	1.940	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1cc(C(=O)O)n(C)c1	1610032996	IRBMWHDIAOBTIN-GHXNOFRVSA-N	305.334	1.173	50	20	DDGD	
CC(COC(C)C)=NNC(=O)[C@H]1CCCO[C@@H]1c1nccn1C	1549309217	HPLIUBYSMFNLJF-KBPBESRZSA-N	322.409	1.805	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@@H]1CC12CCNCC2	1550083481	BQRMKKMJLAMMQB-ZDUSSCGKSA-N	324.856	1.858	50	20	DDGD	
CC(=O)c1[nH]c(CC(=O)NCCCSC#N)c(C(=O)O)c1C	1589243641	XLFYMCDWZDPINV-UHFFFAOYSA-N	323.374	1.487	50	20	DDGD	
CC(C)(C)C[C@H](O)CC(=O)NNc1ccc(-c2nn[nH]n2)cc1	1589119199	RFQIPIKHYYGLHB-GFCCVEGCSA-N	318.381	1.497	50	20	DDGD	
O=C([C@@H]1C[C@@H]1C1CC1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843361346	AVZBIBMZWNMGCV-UTUOFQBUSA-N	314.788	1.770	50	20	DDGD	
C/C(=C\c1ccncc1)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1588773450	ZSSWETGSQMBIQO-ZHACJKMWSA-N	321.344	1.808	50	20	DDGD	
C=C(CCC(=O)O)C(=O)NNC(=S)Nc1cccc(C)c1	1588630706	YFJLDBUIRVRIAU-UHFFFAOYSA-N	307.375	1.734	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccc(Cl)cc2)CC1)[C@H]1CCN1	1580733316	RRIOBIBPBSWCGS-GFCCVEGCSA-N	307.781	1.172	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2ccccc2C(=O)O)n1	1594150897	QYLFHVHRJZDYFM-UHFFFAOYSA-N	317.305	1.010	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@@](C)(C(=O)O)c1ccccc1	1591765245	QSQBONOUQMDCFB-UILAEWCASA-N	302.330	1.589	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1598900176	OLJQFRGIMAJCLA-SFYZADRCSA-N	309.230	1.008	50	20	DDGD	
CN(C)N(C(=O)[C@@H]1CCSC1)c1nc(CC(=O)O)cs1	1598255925	MGTVUCRWVJOFRA-MRVPVSSYSA-N	315.420	1.333	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@@H]1C[C@H]1c1cccc(O)c1	1595262152	SFUWXPQXTBMNLJ-QWHCGFSZSA-N	313.313	1.732	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCl)[C@@H](Cc1ccccc1)C(=O)O	1593319381	NQFRFAZSDWMRNW-MWLCHTKSSA-N	305.783	1.434	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1onc2ccccc12	1593164092	SWIZWNBFWWEMSD-UHFFFAOYSA-N	322.288	1.160	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCC1=NNC(=O)c1ccc(C(=O)O)cc1	1776099447	HWZMYOMNSNOCLA-GFCCVEGCSA-N	324.358	1.068	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccccc1)c1c[nH]c2ccccc12	16148146	FCOJSDXHCJGXJE-UHFFFAOYSA-N	315.354	1.791	50	20	DDGD	
O=C(NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccoc1	17332629	BGIGEKQLROGUEV-UHFFFAOYSA-N	320.217	1.171	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2cccs2)n[nH]1)c1cocn1	151095254	MRENXWFLBHZXPV-UHFFFAOYSA-N	303.303	1.201	50	20	DDGD	
COc1ccc(NNC(=O)CC[C@H]2CCOC2)c([N+](=O)[O-])c1	155357319	AFUJDNZGRKBFSQ-JTQLQIEISA-N	309.322	1.863	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1cc(F)cc(OC)c1	156743765	WQPAZKIZWHYXHM-JTQLQIEISA-N	300.330	1.719	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1ccc2c(c1)CCCC2	7386771	YPAPPPAYRPTZMU-UHFFFAOYSA-N	310.419	1.921	50	20	DDGD	
Cc1ccc(C)c(S(=O)(=O)NNC(=O)c2ccccc2O)c1	7415934	UHNCUYRJUZUHLW-UHFFFAOYSA-N	320.370	1.632	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CCCc2ccccc2)no1	172125939	FWNMQTKYNHLOAF-UHFFFAOYSA-N	301.346	1.696	50	20	DDGD	
C#Cc1cccc(NC(=O)C(=O)NNc2ccccc2[N+](=O)[O-])c1	119162037	BCDJOLHVKDWIEQ-UHFFFAOYSA-N	324.296	1.658	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2cccs2)n[nH]1)C1=CCCCO1	178004936	LYKMGYNCVMWAEG-UHFFFAOYSA-N	318.358	1.594	50	20	DDGD	
CC(C)c1cc(CNC(=O)NNC(=O)Cc2cccnc2)on1	114526501	KMHIXNUQUKAKEF-UHFFFAOYSA-N	317.349	1.266	50	20	DDGD	
CC(C)C(=O)NNC(=O)Cc1cc(Cl)c2c(c1)OCCO2	27081832	OEGTWBJWZDEERG-UHFFFAOYSA-N	312.753	1.457	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)Cc1ccccc1F	66784664	YQMPSXIPRKGBGA-UHFFFAOYSA-N	304.296	1.897	50	20	DDGD	
O=C(CC1(O)CCCC1)NNC(=O)c1ccc2ccccc2n1	118760115	ZAZYBNVBBMQBHI-UHFFFAOYSA-N	313.357	1.691	50	20	DDGD	
Cc1nn(CC(=O)NNc2nccnc2Cl)c(C)c1Cl	114896633	RLLZZYRIYOBQMF-UHFFFAOYSA-N	315.164	1.740	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)[C@@H]1CC(=O)N(c2cn[nH]c2)C1	178208268	LUPLVCJATLTPBU-MRVPVSSYSA-N	321.287	1.184	50	20	DDGD	
CC(=O)N[C@H](C)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	25401194	JIEAMQAYFBPJEA-SECBINFHSA-N	323.418	1.303	50	20	DDGD	
Cc1nn(C(F)F)c(C)c1CC(=O)NNC(=O)c1ccccn1	65578514	HTSBXZKQKIRCCG-UHFFFAOYSA-N	323.303	1.294	50	20	DDGD	
O=C(NNc1cnccn1)[C@@H]1CCCN1Cc1ccc(F)cc1	176159353	IRXMJEWPIIZYBD-AWEZNQCLSA-N	315.352	1.723	50	20	DDGD	
CN1CC[C@@H](NC(=O)NNc2ccc(Cl)c(F)c2)C1=O	175553048	MWCHRIZEDMJTQE-SNVBAGLBSA-N	300.721	1.336	50	20	DDGD	
Cc1cc(/C=C(\C#N)C(N)=C(C#N)C#N)ccc1-n1cncn1	172814706	XSXHVPURXKHQBF-WLRTZDKTSA-N	301.313	1.743	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1ccccc1)c1ccc2ccccc2n1	173591950	DCHYNQYOPPVKSM-INIZCTEOSA-N	321.336	1.729	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(F)c2cccnc12	1346763645	OMHJWOYBJNDFCW-UHFFFAOYSA-N	320.324	1.354	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)c1ccc(F)cc1	66351126	WSBAKGMXCNXLAN-UHFFFAOYSA-N	323.368	1.529	50	20	DDGD	
CC[C@H](Oc1ccccc1C)C(=O)NNC(=O)c1ccc[nH]1	175777784	AHIBZONLYMKLOI-ZDUSSCGKSA-N	301.346	1.942	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](C)C(C)(C)c1ccccc1	66703406	LEMPZXOKXWYCBS-LBPRGKRZSA-N	307.394	1.720	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1cc(-n2cccn2)ccn1	126575545	HWMVKHXCDHIROM-UHFFFAOYSA-N	313.361	1.609	50	20	DDGD	
O=C(CCNc1ccccc1[N+](=O)[O-])NNc1cccnn1	77032058	IEFVDTZYZZQVBD-UHFFFAOYSA-N	302.294	1.330	50	20	DDGD	
CCC(CC)C(=O)NNc1c(OC)cccc1S(C)(=O)=O	186069259	DEOTYTULLOGPKA-UHFFFAOYSA-N	314.407	1.978	50	20	DDGD	
CC(C)CSCCCNC(=O)NNC(=O)Cc1cccnc1	124441971	NFJFFRDCTHTUKG-UHFFFAOYSA-N	324.450	1.734	50	20	DDGD	
CC[C@H]1C[C@H](C(=O)NNc2nccc(N(CC)CC)n2)CCO1	184209007	PXAZFRINIGWMMF-OLZOCXBDSA-N	321.425	1.971	50	20	DDGD	
O=S(=O)(CBr)N1CCC[C@@H]1c1ccncc1	127016986	BNVGFHNNUFFGOS-SNVBAGLBSA-N	305.197	1.901	50	20	DDGD	
Cc1[nH]c2ccccc2c1CC(=O)NNC(=O)c1cccn1C	122505503	YJBSEHMKLMSTKL-UHFFFAOYSA-N	310.357	1.819	50	20	DDGD	
C[C@@H](CCc1ccccc1)NC(=O)NNC(=O)c1ccc[nH]1	124411148	WLQSFEHOZZMEMV-LBPRGKRZSA-N	300.362	1.980	50	20	DDGD	
CC[C@H](C)[C@@H](C(=O)NNC(=O)C(=O)NC1CC1)c1ccccc1	72937602	SUJMMCYAKNTHHG-SMDDNHRTSA-N	317.389	1.242	50	20	DDGD	
Cc1n[nH]c(SCC(=O)NNC(=O)c2ccc(C)s2)n1	73074948	NRDYUZZEESBMIE-UHFFFAOYSA-N	311.392	1.036	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N[C@H]2CCC[C@@H]2CCO)cc1	188473231	UUJBUXAVOZSTKD-OCCSQVGLSA-N	316.361	1.053	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)Cn1ccnc1C(C)C	182795517	FJAHPCXCUBYYKT-UHFFFAOYSA-N	314.389	1.705	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1ccnn1C	132353331	HMKSWUAWXNDNLX-UHFFFAOYSA-N	308.725	1.157	50	20	DDGD	
CC(=O)c1csc(C(=O)NNc2nc3ccccn3n2)c1	191916552	LLEOHOOSJMYCOD-UHFFFAOYSA-N	301.331	1.750	50	20	DDGD	
NCCCCNS(=O)(=O)c1ccc(CCCCl)cc1	194742294	WRBPGAHPUCSLEV-UHFFFAOYSA-N	304.843	1.875	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1ccccc1[N+](=O)[O-]	42840337	XCCIRIBMUAZAKJ-UHFFFAOYSA-N	304.262	1.332	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)NCc2ccco2)s1	138945579	KYMHCXBAEIPJFU-UHFFFAOYSA-N	323.330	1.272	50	20	DDGD	
COc1cc(C)cc(C(=O)NNc2nc3ccccn3n2)c1O	191894507	ANLJCHBBWRTQLY-UHFFFAOYSA-N	313.317	1.509	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])c(O)c1	134107052	BZQIVVJIDYSVIG-UHFFFAOYSA-N	318.245	1.966	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)c2ccc(Cl)cc2F)cn1	81030686	UFKJJHDDAQXNAF-UHFFFAOYSA-N	310.716	1.770	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@H](C)Oc2ccccc2)n1	143584698	ITWBFLHZLYSUNB-ZDUSSCGKSA-N	316.361	1.115	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)cn1	246674886	IGYSVYHNJUJQHL-RMTQGBGSSA-N	317.393	1.189	50	20	DDGD	
CNC(=O)NNC(=O)CN(C(=O)OC(C)(C)C)c1ccccc1	269312752	JVRRZEYSPGQGGO-UHFFFAOYSA-N	322.365	1.388	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(Cl)ccc1Cl)S(C)(=O)=O	267834909	LJRCMESUICBJAW-LURJTMIESA-N	311.190	1.870	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCNC(=O)C[C@@H]1C	369916642	VPTBTGNOSYUMCJ-VIFPVBQESA-N	312.801	1.089	50	20	DDGD	
CCCc1ccccc1NC(=O)NNC(=O)[C@@H](C)OCCOC	273326350	MEAFKPNOHVETRS-GFCCVEGCSA-N	323.393	1.843	50	20	DDGD	
C[C@@H](CC(N)=O)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	367393980	JHWHZBHOQIDKRK-ZETCQYMHSA-N	323.740	1.345	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)C(C)(C)F	274380434	GEOZEGODUMHUKB-UHFFFAOYSA-N	304.343	1.290	50	20	DDGD	
COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NNC(=O)N(C)C)c1	276277007	OMVRIZKMLKRPGK-CMPLNLGQSA-N	307.350	1.110	50	20	DDGD	
CSc1ccsc1C(=O)NNC(=O)N1CCN(C)CC1	278585141	JWPCSYDLGJQXIK-UHFFFAOYSA-N	314.436	1.072	50	20	DDGD	
CC[C@@H](C)NC(=O)CCNC(=O)NNc1cccc(OC)n1	272479986	YJUIZHCGCLFSEH-SNVBAGLBSA-N	309.370	1.021	50	20	DDGD	
COc1cc(C)cc(C)c1S(=O)(=O)NNC(=O)C(C)(C)C	277557534	RJZCFNRYOSQUCF-UHFFFAOYSA-N	314.407	1.668	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2CCCN2C2CCCC2)n1	279763275	FXYAAFRHMPZHDB-HNNXBMFYSA-N	316.405	1.558	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCCCOC(C)C)n1	272959451	LHQPIBXMYRMKDT-UHFFFAOYSA-N	311.386	1.625	50	20	DDGD	
C[C@@H]1CCCN(C[C@@H](C)NC(=O)NNc2cccc(F)n2)C1	287280073	YLROKQQVPDTYLJ-VXGBXAGGSA-N	309.389	1.967	50	20	DDGD	
CCCN(NC(=O)c1coc(C(N)=O)c1)C(=O)OC(C)(C)C	286054428	AAFNZXNXZMCXAQ-UHFFFAOYSA-N	311.338	1.670	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)c1	282543646	CIGSWLQUSLKECA-TYNCELHUSA-N	306.362	1.335	50	20	DDGD	
CO[C@H]1CCC[C@H](CC(=O)NNc2ncnc3nc[nH]c23)C1	280659970	GPEWWMSHVLIJHP-UWVGGRQHSA-N	304.354	1.391	50	20	DDGD	
O=C(CCn1cnc2ccccc21)NNC(=O)N=c1cc[nH]cc1	802033606	FTXPCKUMLCPUHL-UHFFFAOYSA-N	324.344	1.096	50	20	DDGD	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)[C@@H]1CCCCO1	295821726	YBQRQSQPHRXRBW-PPGNKHEKSA-N	319.317	1.325	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)COc1ccccc1OCC	294393022	OTQUIOSWCXUPME-CQSZACIVSA-N	324.377	1.427	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc(F)c(Cl)cc2F)O1	294179942	JNGHQTNCPSGBHT-KGFZYKRKSA-N	318.707	1.947	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)NCc2cc3ccccc3[nH]2)O1	297409533	YFTWAGCPRXXTRR-HZMBPMFUSA-N	316.361	1.566	50	20	DDGD	
COc1ccc(NNC(=O)c2cc3ccccc3c(=O)n2C)nc1	803150012	ARRLIGDBKUJDKF-UHFFFAOYSA-N	324.340	1.699	50	20	DDGD	
CCOc1ccccc1C(=O)NNC(=O)N=c1cc[nH]cc1	802032276	RJQMQFXKYXSCOS-UHFFFAOYSA-N	300.318	1.369	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H]1OC[C@H]2COCC[C@H]21	290437826	HOBCCFICGKBNAJ-GLXFQSAKSA-N	323.301	1.560	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@@H]1CCc2ccccc2OC1	801016255	TUWWZGUTZXNKEZ-GFCCVEGCSA-N	305.378	1.757	50	20	DDGD	
O=C(c1ccccc1)c1nc[nH]c1C(=O)NNC(=O)C1CCC1	806834834	GTXDCELQASFKPE-UHFFFAOYSA-N	312.329	1.202	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cc(O)cc(C#N)c1	809678071	WFEBLWPQFCKJPA-UHFFFAOYSA-N	311.297	1.347	50	20	DDGD	
CCOc1ncccc1CNC(=O)NNc1cccc(F)n1	804903569	MIRDACQWQARYLK-UHFFFAOYSA-N	305.313	1.841	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ccccc2[N+](=O)[O-])sn1	806983812	AQZCINONITZGOI-UHFFFAOYSA-N	321.318	1.442	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ncccc2F)cnc1Cl	807300422	CHCDTBDMDFOPBQ-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
CCOC(=O)c1cc(C(=O)NNC(=O)c2ccc(C)o2)[nH]c1C	294774110	AFOFHFJHOKPCBK-UHFFFAOYSA-N	319.317	1.476	50	20	DDGD	
COCc1nc(CNC(=O)NNc2cccc(C#N)c2)cs1	812551009	DGBILPRPMYHABI-UHFFFAOYSA-N	317.374	1.987	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)c(C)c1	811676609	FSUHYFLZLLOXDC-UHFFFAOYSA-N	310.297	1.733	50	20	DDGD	
N=[S@](=O)(O)c1ccc(C=NNC(=O)c2ccncc2)cc1	811628912	NVCKYMBIFGHDRH-UHFFFAOYSA-N	304.331	1.724	50	20	DDGD	
CC(C)(C(=O)NNc1ncc(F)cn1)c1ccc2c(c1)OCO2	815881819	ZXOMGHCMSJPYAJ-UHFFFAOYSA-N	318.308	1.765	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2cncc(Cl)n2)ccc1C	816688262	JSMUJOOFROJMGD-UHFFFAOYSA-N	320.736	1.982	50	20	DDGD	
Cc1nccc(CCC(=O)NNC(=O)Cc2ccc(F)cc2)n1	814368841	KHLHNEWJCJFXPG-UHFFFAOYSA-N	316.336	1.247	50	20	DDGD	
O=C(O)CCCNC(=O)NNC(=O)c1ccc(Cl)cc1F	819443262	YCOFWUGCHZZCTJ-UHFFFAOYSA-N	317.704	1.288	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1nnc2ccccc2n1	810793732	LNLHEDGEJXYFMU-UHFFFAOYSA-N	305.301	1.658	50	20	DDGD	
Cc1cc(C)c(NNC(=O)[C@@H]2CCc3nnn(C)c3C2)c(C)c1	810452029	AUAGOWKZWMIPLO-CYBMUJFWSA-N	313.405	1.989	50	20	DDGD	
COc1cccc(NNC(=O)Nc2cc(N(C)C)ncn2)n1	810219057	NPQYNAHGYGUWKC-UHFFFAOYSA-N	303.326	1.095	50	20	DDGD	
Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NN(C)C2CC2)cc1	819648381	BXIOFTLHBZTSQM-OAHLLOKOSA-N	301.390	1.611	50	20	DDGD	
COc1cnc(C(=O)NNc2nc(-c3ccccc3)no2)nc1	815547397	PLXZYFRPTATBHC-UHFFFAOYSA-N	312.289	1.292	50	20	DDGD	
CS(=O)(=O)CC1CCC(=NNC(=O)Cc2ccncc2)CC1	814862512	MBSUDHWXXPSKGQ-UHFFFAOYSA-N	323.418	1.331	50	20	DDGD	
COCc1csc(C(=O)NNc2nc(C)cc(OC)n2)c1	829487902	MVSYUDODEBKGKL-UHFFFAOYSA-N	308.363	1.758	50	20	DDGD	
COc1ccc(Br)cc1C(=O)NN(C)[C@@H](C)CO	823952791	UHQANGFZXPADDF-QMMMGPOBSA-N	317.183	1.415	50	20	DDGD	
CC(=NNC(=O)CN(C)C)[C@@H]1CCCN1C(=O)OC(C)(C)C	495786044	KXCMPHKJWXIKHZ-LBPRGKRZSA-N	312.414	1.440	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccccc1NCc1cccnc1	823917524	JOOFFSMTTRTOEO-ZDUSSCGKSA-N	314.389	1.651	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCC2Cc3ccccc3C2)cn1	491131108	KNFITDAFFOOUTL-IUXPMGMMSA-N	306.369	1.858	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1ccc(N2CCOC2=O)cc1	494971189	LRKBEUQNMDUBMA-UHFFFAOYSA-N	316.292	1.934	50	20	DDGD	
CNC(=S)N(C)NC(=O)C[C@H](C)Cc1cccc(OC)c1	822547333	JVIRBGMJYNTPQY-LLVKDONJSA-N	309.435	1.731	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	490939648	GWYUGCNONIBULJ-VQHVLOKHSA-N	318.289	1.012	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CCc2cc(C)on2)cc1	823892339	OZFSOEFNOZOAHH-UHFFFAOYSA-N	317.345	1.774	50	20	DDGD	
CO[C@H](CNC(=O)/C(C#N)=C/c1cnn(C)c1)Cc1ccccc1	491102846	JFMKDHHPQKWTBL-BDBSJLECSA-N	324.384	1.701	50	20	DDGD	
CC(C)(CN1CCOCC1)C(=O)NNc1ccc(Cl)cn1	824688911	WXRGYFKZZMDNJY-UHFFFAOYSA-N	312.801	1.537	50	20	DDGD	
COCCN(C)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C	495679479	KGYXIVZRWVQTEH-LBPRGKRZSA-N	317.430	1.535	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1C(=O)OCC(=O)NNC(=O)c1ccccc1	820946523	NPCWKUJNXHLHCO-OCCSQVGLSA-N	318.373	1.817	50	20	DDGD	
O=C(O)COCCNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	823329220	PNQOYVYSLJBOCN-HOTUBEGUSA-N	320.183	1.158	50	20	DDGD	
CC(C)N1CCC[C@@H](CNC(=O)NNC(=O)CC(F)(F)F)C1	729619494	SSRCSNKHWYNEAC-JTQLQIEISA-N	324.347	1.390	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@H](O)C1CCCCC1	822730604	BSSTVBQMVLJVGT-CQSZACIVSA-N	324.352	1.997	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@H]1CCCCC1(F)F	826884079	BAYZNINUEGLVAB-AXFHLTTASA-N	319.352	1.567	50	20	DDGD	
O=C(NCc1ccco1)NN=Cc1ccccc1-c1nn[nH]n1	826443167	DFCJJPCHPHEQRS-UHFFFAOYSA-N	311.305	1.293	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1ccc2c(c1)CCNC2=O	824317068	UZCBDVCRHKIUIU-UHFFFAOYSA-N	318.377	1.561	50	20	DDGD	
CC(C)Oc1ccccc1[C@@H](C)NCc1ccc(B(O)O)o1	585015329	AGYFJHZAOGAESV-GFCCVEGCSA-N	303.167	1.597	50	20	DDGD	
CN(NS(=O)(=O)c1cccnc1Cl)C(=O)OC(C)(C)C	497106054	JLXJEMIRLSEPCY-UHFFFAOYSA-N	321.786	1.795	50	20	DDGD	
C[C@@]1(C(=O)NCCC(=O)N2CCCCC2)C[C@H]1Br	906253902	WKOPUYKDJITDFQ-ZWNOBZJWSA-N	317.227	1.679	50	20	DDGD	
CCN(CCO)NC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	823870088	YEANXQKQRJMLAH-HOSYDEDBSA-N	305.216	1.286	50	20	DDGD	
O=C(O)c1cccc(C(=O)NNC(=O)c2ccc(Cl)nc2)c1	821549437	BRZNMDNDLVBDQV-UHFFFAOYSA-N	319.704	1.508	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(S)n1)c1ccc(F)cc1	730587406	MBSFFZZTIUPGKQ-UHFFFAOYSA-N	320.349	1.693	50	20	DDGD	
CC1(C)Cc2cccc(C=NNC(=O)C(=O)N3CCCC3)c2O1	737435150	ULIHKYIBWUOMDA-UHFFFAOYSA-N	315.373	1.473	50	20	DDGD	
O=C(NN=Cc1cc(Cl)ccc1[N+](=O)[O-])c1cnccn1	739412026	UUJSHCFLPJHKGD-UHFFFAOYSA-N	305.681	1.802	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CCCOC1CCOCC1	900001041	DJUCGHUYSSMARQ-UHFFFAOYSA-N	317.455	1.256	50	20	DDGD	
CCO/C=C\C(=O)NNC(=O)COc1ccccc1OCC	492789967	IFOZTUMCTJWENX-KTKRTIGZSA-N	308.334	1.162	50	20	DDGD	
CCOC(=O)[C@@H](CC(=O)NNc1nccnc1C(C)C)C(C)=O	834581116	ULVUGNNOMMGMRG-NSHDSACASA-N	322.365	1.202	50	20	DDGD	
O=C(COC1CCOCC1)NN=c1cc[nH]c2ccccc12	735330688	HTODILSILJLDMK-UHFFFAOYSA-N	301.346	1.295	50	20	DDGD	
CC1(C)CCC[C@H]2CN(C(=O)c3cccc(B(O)O)c3)CC[C@@H]21	584994074	CTMZHEOAXFNOKA-HOCLYGCPSA-N	315.222	1.655	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NN=C2CCOC2)C1	495790785	AYIHUYBDHLCGOR-LLVKDONJSA-N	311.382	1.526	50	20	DDGD	
CCn1ccnc1C(C)=NNC(=O)Cc1cn2ccccc2n1	834961823	DSPIVGUPVWQMDR-UHFFFAOYSA-N	310.361	1.634	50	20	DDGD	
Cc1ncc(Br)cc1NC(=O)NNC(=O)C(C)C	836736879	RITZYACOXZDVCH-UHFFFAOYSA-N	315.171	1.961	50	20	DDGD	
N#CCNC(=O)COC(=O)CCCC[C@@H]1CCSS1	731237865	QNKBQLLHQUNYBX-SNVBAGLBSA-N	302.421	1.883	50	20	DDGD	
COCCN(C)CCCNC(=O)[C@@]1(C)C[C@@H]1Br	906123977	PTWLGSCZWMZJEC-JQWIXIFHSA-N	307.232	1.244	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1c(C)cc(F)cc1C	831569650	IVQCMZWULWXYQZ-UHFFFAOYSA-N	315.439	1.914	50	20	DDGD	
COc1ccc([C@@H](C)C(C)=NNC(=O)c2ncon2)cc1OC	901290193	RSHVYXIKUMXVOT-VIFPVBQESA-N	318.333	1.996	50	20	DDGD	
C[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H](c2ccco2)C1	584954784	OJZCPTLXDXKKNE-SWLSCSKDSA-N	313.162	1.573	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C\c1ccc(C(=O)OC)cc1F	905016179	RPJIHCKAQXGZIG-MBGMWABPSA-N	320.320	1.670	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@H]1CCCC(F)(F)C1	838522413	GEHSHXJSDBUZCG-UWVGGRQHSA-N	305.325	1.464	50	20	DDGD	
CCCNC(=O)NNC(=O)c1nc(CC)n(-c2ccccc2)n1	735468628	QCKOYBJFYGHZAT-UHFFFAOYSA-N	316.365	1.184	50	20	DDGD	
Cn1c(=O)c(CNS(=O)(=O)CCl)cc2ccccc21	831606695	QJCALMRWXHFIGJ-UHFFFAOYSA-N	300.767	1.154	50	20	DDGD	
CNC(=O)NCCC(=O)NNc1cccc(Cl)c1Cl	838346654	WFGHLTAGZJBCFJ-UHFFFAOYSA-N	305.165	1.756	50	20	DDGD	
CC(C)(C)OC(=O)CCNC(=O)NNc1cccc(C(=O)O)c1	833433318	IXTGHNZFJYPOEJ-UHFFFAOYSA-N	323.349	1.743	50	20	DDGD	
C[C@@H](COc1ccccc1)NC(=O)NNC(=O)C1CCCC1	918089696	PUDAEIWDRWSRPQ-LBPRGKRZSA-N	305.378	1.975	50	20	DDGD	
CCCc1ccc(CCCC(=O)NNC(=O)c2ncon2)cc1	832830909	WQAOXQGGKJGFFR-UHFFFAOYSA-N	316.361	1.806	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1	919786316	SPHYHRFOBVPPPL-HIFRSBDPSA-N	318.421	1.808	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNc1nccn(C)c1=O	747946317	YJXSVOVLWJDHBR-VIFPVBQESA-N	322.752	1.344	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C[C@H]2CCOC2)c2ccccc2n1	740177415	QUVUGFUNXCBLHK-GFCCVEGCSA-N	313.357	1.731	50	20	DDGD	
CCN[C@H](C)CNC(=O)NNC(=O)c1ccc2ccccc2n1	841984313	AMVJMTKSGIPDGE-LLVKDONJSA-N	315.377	1.177	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccccc1Oc1ccncc1	910155923	JYOKKKBWXHJSGF-GFCCVEGCSA-N	301.346	1.831	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@@H]1CCOC2(CCC2)C1)C1CC1	912159315	FYMOULGKYWBYCC-ZYHUDNBSSA-N	311.451	1.630	50	20	DDGD	
CCn1nc(C(=O)NN=Cc2ccc[nH]2)c2ccccc2c1=O	916321622	UAUYUNIJXLSHIX-UHFFFAOYSA-N	309.329	1.508	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](C(=O)OC(C)(C)C)C(C)C	843850629	VJDJAWBREJTISI-SNVBAGLBSA-N	301.387	1.293	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCCOc1cccc(F)c1	843648068	VVAOZKWYKHQCQC-BXUZGUMPSA-N	324.352	1.557	50	20	DDGD	
Cc1ccc2[nH]c(C(=O)NNc3ncnc4[nH]cnc34)cc2c1	743473285	MZTNRSOYIRNYQH-UHFFFAOYSA-N	307.317	1.900	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1ccc(OCCN(C)C)cc1	842554741	KJSNLDZOJNZBDN-CJNGLKHVSA-N	319.405	1.502	50	20	DDGD	
COCCNCCNC(=O)NNc1ccccc1C(F)(F)F	841967455	DAOSTRDPOIVIAZ-UHFFFAOYSA-N	320.315	1.568	50	20	DDGD	
CC[C@H](C)C(=O)NN=C(C)c1ccc(NS(C)(=O)=O)cc1	747047953	OCANICPFROKETJ-JTQLQIEISA-N	311.407	1.944	50	20	DDGD	
Cc1ccc2[nH]c(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)cc2c1C	843980935	YJPLDWASXSKQLD-VXGBXAGGSA-N	315.373	1.971	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)OCc2cc3n(n2)CCCC3)cn1	845169213	JBXZAFHUNVEYTK-MLPAPPSSSA-N	311.345	1.603	50	20	DDGD	
COC(=O)[C@@H](C)c1ccc(NC(=O)NNC(=O)C2CCC2)cc1	841772008	SYAVGUSHOUTQNU-JTQLQIEISA-N	319.361	1.916	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N[C@H]2CCCC[C@@H]2CN)cc1	841948395	KEZTXTIPQRBHKH-KGLIPLIRSA-N	315.377	1.020	50	20	DDGD	
N=C(O)OC[C@H](Cc1ccccc1)NS(=O)(=O)CCl	841562457	YKAKFYQWZALLNP-JTQLQIEISA-N	306.771	1.223	50	20	DDGD	
O=C1CCCc2cc(C(=O)NNC(=O)c3ccncc3)ccc2N1	915059420	RKGSVRTWKRDELG-UHFFFAOYSA-N	324.340	1.431	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(C)c1	843649149	TWSBYRBTYCTRGS-QWHCGFSZSA-N	322.430	1.968	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@@H]2CCC[C@H](N)C2)cc1	841981000	OESNHKNUFXXXON-CMPLNLGQSA-N	321.381	1.301	50	20	DDGD	
COc1ccc(C(=O)NNc2ncccc2C(F)(F)F)nn1	740092966	DFKSYBSOTOGEPQ-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
Cc1cc(C)n([C@H](C)CC(=O)NNC(=O)Cc2ccncc2)n1	747322908	CEDSQMZLEFHQKF-CYBMUJFWSA-N	315.377	1.236	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccccc1O)C(=O)OC(C)(C)C	840844472	BMNXLOKYSSXTHY-SECBINFHSA-N	308.334	1.131	50	20	DDGD	
NCC[C@H](NC(=O)NNc1ncc(F)cc1F)C(F)(F)F	841335021	MPBRKXCIVFJQDU-ZETCQYMHSA-N	313.230	1.266	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@](C)(NC(C)=O)C(C)C)cc1	929289927	JMYFTTYTBPPGNA-KRWDZBQOSA-N	319.405	1.561	50	20	DDGD	
COc1ccc(C=NNC(=O)Cc2cn3ccccc3n2)cc1O	747636621	MSDCDNSPMQWFLQ-UHFFFAOYSA-N	324.340	1.741	50	20	DDGD	
C[C@@H](C=NNC(=O)[C@H]1CCS(=O)(=O)C1)CCc1ccccc1	749158506	PBUZULXDFHNLTJ-HIFRSBDPSA-N	322.430	1.792	50	20	DDGD	
CC(C)O[C@]1(C(=O)NN=C2CCCN3CCCC[C@H]23)CCOC1	848412972	GXWRHNOCTDZFIA-NVXWUHKLSA-N	323.437	1.691	50	20	DDGD	
COc1cc(C)c(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1OC	843651556	DLEUUAVVOSXEER-WDEREUQCSA-N	322.361	1.198	50	20	DDGD	
CO[C@]1(C=NNC(=O)[C@@H](C)CN2CCCCCC2)CCOC1	841614722	QFEQPOMMRGGBTO-HOCLYGCPSA-N	311.426	1.406	50	20	DDGD	
Cn1cnc(C(=O)NNC(=O)CCSc2ccc(F)cc2)c1	758091947	QAEQHJCQDLDRST-UHFFFAOYSA-N	322.365	1.503	50	20	DDGD	
CO/C(=C\c1ccccc1)C(=O)NNC(=S)N[C@H](C)C1CC1	855100178	WGMSRMGBWUKTKP-UXEDPAHQSA-N	319.430	1.968	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCc1cccc(OCC)c1	858126088	RVHQIKAYHOEZAB-UHFFFAOYSA-N	307.419	1.699	50	20	DDGD	
CC1CC(CNC(=O)NNC(=O)CSc2ccccc2O)C1	856906668	VIBZTBYGVHCXGG-UHFFFAOYSA-N	323.418	1.861	50	20	DDGD	
CCN1C[C@H](CNC(=O)NNc2cc(F)ccc2C)CC1=O	854214010	DIJKDDMWMRXODM-NSHDSACASA-N	308.357	1.629	50	20	DDGD	
Cc1cc(C(=O)NCCCSC#N)ccc1-n1cnnn1	854363442	ZWXLSMIARVXZKL-UHFFFAOYSA-N	302.363	1.305	50	20	DDGD	
CCn1nccc1C=NNC(=O)[C@H](C)CN1CCCCCC1	753694691	IMJIBQWGJBDJDT-CQSZACIVSA-N	305.426	1.865	50	20	DDGD	
Cc1cc(C)cc(C[C@@H](C)NC(=O)NNC(=O)c2cn[nH]c2)c1	858253396	SHLAXVPZQQQLFP-GFCCVEGCSA-N	315.377	1.602	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccc(F)n1)N1CCCCCC1	856423966	DQYKKHYXVFJBRH-LLVKDONJSA-N	308.357	1.246	50	20	DDGD	
CCN(C)C(=O)[C@@H](C)NC(=O)NNc1ccc(Cl)cc1F	922155631	DESFSVLFURVWBJ-MRVPVSSYSA-N	316.764	1.972	50	20	DDGD	
C[C@H]1CCC[C@@H](OCC(=O)NNC(=O)OCC(F)(F)F)C1	856023607	PSPNLBHJDVJNPJ-DTWKUNHWSA-N	312.288	1.901	50	20	DDGD	
C[C@H](Oc1ccccn1)C(=O)NNc1cc(Cl)nc(N)n1	857486482	MLPBLSNDAYFGKI-ZETCQYMHSA-N	308.729	1.018	50	20	DDGD	
O=C(NCc1nc(C2CC2)n[nH]1)NNc1ccc(F)c(F)c1	922676372	VEZZITFUPAPCDI-UHFFFAOYSA-N	308.292	1.787	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NC[C@@]2(C)C[C@@H]2Br)nn1	857390887	IJSWRQUCWFVUSX-JOYOIKCWSA-N	315.215	1.936	50	20	DDGD	
CCN1CCC(=NNC(=O)c2cccc(C(=O)O)c2)[C@H](C)C1	853425451	FIZINEJHXBVYHM-LLVKDONJSA-N	303.362	1.832	50	20	DDGD	
CCCNC(=O)NNC(=O)c1csc(-c2ccccn2)n1	751370531	ICARVQGDXHZIJD-UHFFFAOYSA-N	305.363	1.559	50	20	DDGD	
O=C1C[C@@H](CNC(=O)NNc2cc(F)cc(Cl)c2)CN1	854170644	WNMRSTYLWODTFV-SSDOTTSWSA-N	300.721	1.241	50	20	DDGD	
C[C@@H]1CN(C(=O)NC[C@]2(C)C[C@@H]2Br)[C@H](C)CO1	856951955	AEEWLRYXLLQJQW-SVDPJWKOSA-N	305.216	1.979	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)c1cc(O)nc(C2CC2)n1	857192231	FGHRYBBOOPPHHK-UHFFFAOYSA-N	318.308	1.964	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](C)C[S@@](C)=O	753150534	FVJMBZFFMPHWEH-WPCRTTGESA-N	305.831	1.236	50	20	DDGD	
CC1(C)CCCCC1=NNC(=O)N[C@H]1CCS(=O)(=O)C1	757575761	MXZNXABEEGJARA-JTQLQIEISA-N	301.412	1.429	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@@H]2CCC(=O)N2C)c(F)c1	854899199	KRHRSKCRZGMRJD-JTQLQIEISA-N	323.324	1.066	50	20	DDGD	
Cc1c(NC(=O)NC[C@]2(C)C[C@@H]2Br)nnn1C	856876893	SRCCLOCUSMEFIX-XVKPBYJWSA-N	302.176	1.419	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H]1C[C@]12CCCc1ccccc12	854925028	ZUFJQNQLWQPODJ-CJNGLKHVSA-N	303.431	1.748	50	20	DDGD	
CC(Cc1ccccc1F)=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	853389632	QKFUJMINABOFSQ-ZBFHGGJFSA-N	319.380	1.724	50	20	DDGD	
Cc1nnc2n1C[C@@H](C(=O)NNc1ccccc1[N+](=O)[O-])CC2	750716343	ZBXKDYOAURWWPB-JTQLQIEISA-N	316.321	1.200	50	20	DDGD	
Cn1nncc1C=NNC(=O)Nc1ccc(OC(F)F)cc1	751132683	GJOPZFXUCJLTEV-UHFFFAOYSA-N	310.264	1.572	50	20	DDGD	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NN(C)C(=S)NC	854924025	CCESPAORHFLMBR-UTUOFQBUSA-N	301.456	1.828	50	20	DDGD	
C[C@@]1(CNC(=O)N2CCC(CO)CC2)C[C@@H]1Br	856951365	UPQLNGUBSJZGKZ-JQWIXIFHSA-N	305.216	1.574	50	20	DDGD	
C[C@@H]1C(=NNC(=O)Cc2ccccc2O)CC[C@H]1CC(=O)O	853400835	PFSHTFXMSUPEJU-QWRGUYRKSA-N	304.346	1.928	50	20	DDGD	
Cc1cccc2ncc(C=NNC(=O)c3ccnc(N(C)C)c3)n12	755709517	OYDAAKQCJNQNEA-UHFFFAOYSA-N	322.372	1.868	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(F)cc(Cl)c1)[C@@H](C)S(C)(=O)=O	855620103	KYVOJUOEUQPNDC-HTQZYQBOSA-N	322.789	1.991	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1nc(Cl)cs1	758098846	WMSWSJJFGPEVJQ-UHFFFAOYSA-N	301.784	1.908	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cc(-c2ccco2)[nH]n1)C1CC1	751616083	FGTCJENRUVYKMD-MRVPVSSYSA-N	319.390	1.577	50	20	DDGD	
C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1cccc(B(O)O)c1	867294314	BLTKGYLOGDMMNI-MWLCHTKSSA-N	315.100	1.169	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccc2c(c1)C[C@@H](C)O2	933150788	WKIXMYKPBXSGSI-SECBINFHSA-N	315.333	1.957	50	20	DDGD	
CCOC1(C(=O)NNCC(F)(F)C(F)(F)F)CCOCC1	863102465	JMWJWTFNRBNWDG-UHFFFAOYSA-N	320.258	1.391	50	20	DDGD	
CC[C@@](C)(NC(=O)NNc1nccnc1OC)C(F)(F)F	933516619	QIOYXIDCJFPXCL-SNVBAGLBSA-N	307.276	1.842	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](c1ccccc1)n1cccn1	764483769	GUSHUAQWPLIKHR-CYBMUJFWSA-N	324.344	1.414	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1CC(c2cccnc2)=NO1)C(F)(F)F	862316515	CXYNFLCFNDVYDN-XVKPBYJWSA-N	302.256	1.146	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1c(C)cccc1O	861576582	JBPSDXYGBHUFFU-UHFFFAOYSA-N	310.350	1.251	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCC(=O)N1CCCCC1	767942427	FGHQGUFYMZHACX-LLVKDONJSA-N	319.243	1.925	50	20	DDGD	
COC/C=C/C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	864517882	NYIWHUJCZNQETO-FSIBCCDJSA-N	308.403	1.837	50	20	DDGD	
C[C@@H]1CCN(S(=O)(=O)CC(C)(C)CCl)C[C@@H]1C(=O)O	864497999	YJHCCBAKWBERBK-ZJUUUORDSA-N	311.831	1.624	50	20	DDGD	
CCOc1cccc(CCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	862094449	LZVYSURXLZSCCX-SWLSCSKDSA-N	320.389	1.590	50	20	DDGD	
CC(=O)NC[C@H](CC(=O)NN=c1cc[nH]c(C)c1)CC(C)C	862514967	CVDBIAYONVFDHF-AWEZNQCLSA-N	306.410	1.444	50	20	DDGD	
Cc1cccc(NNC(=O)C2=NN(CC(C)C)C(=O)CC2)n1	862521034	HYAVVFHKRHIISA-UHFFFAOYSA-N	303.366	1.468	50	20	DDGD	
CC1(C)C[C@@H]1CNC(=O)NNc1ccccc1S(C)(=O)=O	765780968	SVOFVDJXCAYKLL-SNVBAGLBSA-N	311.407	1.762	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2cccnc2)nc1Cl	766464062	BEXOZZVGUKCFSB-UHFFFAOYSA-N	320.736	1.142	50	20	DDGD	
Cc1nn(-c2ccccc2)cc1C=NNC(=O)Cc1cc[nH]n1	866111429	DHBWPFGXTIENBK-UHFFFAOYSA-N	308.345	1.597	50	20	DDGD	
Cc1cc(NNC(=O)CCC(=O)c2ccc(Cl)cn2)ncn1	769649730	AYBQFVUDLNSIII-UHFFFAOYSA-N	319.752	1.940	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1cccc(F)c1F	868736991	VANBMVCBLBVACA-PSASIEDQSA-N	313.304	1.220	50	20	DDGD	
CSCCNC(=S)NNC(=O)CCC1CCOCC1	769768788	GEWOQLCHIKDBPR-UHFFFAOYSA-N	305.469	1.052	50	20	DDGD	
COC(=O)c1c(C)[nH]c(C(=O)NNc2cccc(C)n2)c1C	862524863	WNABHBUEIMXWNX-UHFFFAOYSA-N	302.334	1.878	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(OC(C)C)c(OC)c1	767972450	HUEIUZIGSPAVTM-UHFFFAOYSA-N	311.338	1.282	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1ccc(O)cc1O	1116516330	BJJZTLKTWZSHTH-UHFFFAOYSA-N	311.297	1.654	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cnc(C2CC2)nc1	764645068	FLMRBCFBZXTQDW-UHFFFAOYSA-N	301.310	1.301	50	20	DDGD	
O=C(NCCNC(=O)C1CC1)NNc1cccc(F)c1Cl	875006465	JXTIMXLOCDOAJI-UHFFFAOYSA-N	314.748	1.631	50	20	DDGD	
CN1CCC[C@H](NC(=O)NNc2cccc(F)c2Cl)C1=O	875340803	FGXGYLDOJYFRGQ-JTQLQIEISA-N	314.748	1.726	50	20	DDGD	
CSc1cc(CNC(=O)NNC(=O)C2CCCC2)ccn1	772595273	UMWJAGGHCXOOKH-UHFFFAOYSA-N	308.407	1.824	50	20	DDGD	
CC(=O)NNC(=O)[C@H](C)c1c(C)nn(CC(F)(F)F)c1C	778504827	UDPZRQHJIWVGHQ-ZCFIWIBFSA-N	306.288	1.333	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCCc2cc(OC)ccc21	779822217	BCUFWYUCUAGYCW-UHFFFAOYSA-N	305.334	1.208	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1c(O)cccc1O	770408505	NVQVBEMFGVKTDP-UHFFFAOYSA-N	313.273	1.300	50	20	DDGD	
Cc1cccc(NNC(=O)NC[C@@H](C)CC2(C)OCCO2)n1	875372283	NEIPALJUNQPFBL-NSHDSACASA-N	308.382	1.805	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)O1	772188853	SFGSBASINJGGMX-UTUOFQBUSA-N	314.382	1.069	50	20	DDGD	
O=C(NNC(=O)c1c(O)cccc1F)c1ccc(Cl)cc1O	776119410	GHZRADLHUNOOER-UHFFFAOYSA-N	324.695	1.965	50	20	DDGD	
CS(=O)(=O)c1ccc(F)c(C(=O)NNc2ccccn2)c1	777472888	HYIAABCKNDXQOY-UHFFFAOYSA-N	309.322	1.381	50	20	DDGD	
CCN(CC)c1ccc(C=NNC(=O)COCCOC)c(O)c1	872402648	MISASFQQNSXQMG-UHFFFAOYSA-N	323.393	1.352	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cc[nH]1	875071972	OOJDWHFMLCKQRS-OCCSQVGLSA-N	305.426	1.558	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@@H]1COCCO1	873855273	RAHITAYCYNQCFM-LBPRGKRZSA-N	323.418	1.290	50	20	DDGD	
Cc1cccc(C(=O)NCCNS(=O)(=O)CCCCl)c1	881804163	VCTRXLVVZPJVBE-UHFFFAOYSA-N	318.826	1.273	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@H](c1ccccc1)C1CC1	883089309	GHRMTXPTNWJISV-OAHLLOKOSA-N	317.389	1.895	50	20	DDGD	
C[C@H](OCCc1ccccc1)C(=O)NNC(=O)C1CCOCC1	883070784	CZXZSOOTIITLGE-ZDUSSCGKSA-N	320.389	1.208	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cccc2c1OCC2(C)C	887147789	BLDITGKGJFHYJI-UHFFFAOYSA-N	300.358	1.921	50	20	DDGD	
NC(=O)c1cc(NC(=O)NNc2ncc(F)cn2)ccc1F	775489457	PINNMLFZMLHXOU-UHFFFAOYSA-N	308.248	1.002	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)C1CCOCC1)Oc1ccccc1	883411482	ZIZWIOHZLQWPLF-GFCCVEGCSA-N	321.377	1.211	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1c(C)cccc1SC	770771664	LTKHSJUKFMGKRV-SECBINFHSA-N	323.418	1.849	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@H](CF)C2)c1	880234556	GHYJSXPRNLBDMQ-CYBMUJFWSA-N	307.369	1.438	50	20	DDGD	
CSCC1(CC(=O)NNC(=O)c2ccc(C)c(O)c2)CC1	882051629	MMMULPQTRJNOOS-UHFFFAOYSA-N	308.403	1.995	50	20	DDGD	
COC(=O)c1ccc(CCNS(=O)(=O)CCCCl)cc1	881773386	IMSMJEJFFDPATA-UHFFFAOYSA-N	319.810	1.564	50	20	DDGD	
C[C@@H]1c2ccccc2CCN1C(=O)NNC(=O)c1cccnn1	883849609	FYWUJSMZKZZNON-LLVKDONJSA-N	311.345	1.450	50	20	DDGD	
CC(C)Cn1ccc(C(=O)NNC(=O)Cc2ccccc2F)n1	888868306	DHWZTJYTPFYDCO-UHFFFAOYSA-N	318.352	1.682	50	20	DDGD	
N#Cc1cc(NC(=O)C(=O)NNc2ccnc(F)c2)ccc1F	784852380	YFIGXJHOXRGDDT-UHFFFAOYSA-N	317.255	1.313	50	20	DDGD	
C[C@H](Cc1ccccc1)NC(=S)NNC(=O)c1cccnc1	786055032	DVQDLSLDFFHNLU-GFCCVEGCSA-N	314.414	1.822	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCc1ccc(C#N)cn1	782020025	MTWXLMSOIBULKZ-UHFFFAOYSA-N	317.780	1.935	50	20	DDGD	
Cc1cccnc1NNC(=O)c1sccc1-n1cnnn1	791214159	VCIGIYWBDHCNTM-UHFFFAOYSA-N	301.335	1.184	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCc1ccn(C)n1)c1ccccc1	794323834	ZXCBFQRMNLRAGB-HNNXBMFYSA-N	314.389	1.694	50	20	DDGD	
Cn1c(Cl)cnc1C=NNC(=O)[C@@H]1COc2ccccc2O1	799466588	IWMSNJFVUMOAAR-NSHDSACASA-N	320.736	1.364	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NN=C1CC(=O)N2CCCC[C@H]12	799472918	ZPGFXKYTORLGDQ-CQSZACIVSA-N	303.337	1.625	50	20	DDGD	
CCOc1cccc(S(=O)(=O)NNC(=O)c2ccc[nH]2)c1	799917546	SXQPYUXNCOZORQ-UHFFFAOYSA-N	309.347	1.037	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)NCC=C(C)C)c1	790537631	ZFBFDJAFCMAZJV-UHFFFAOYSA-N	307.350	1.614	50	20	DDGD	
CSCCCN(C)CC(=O)NNC(=O)c1ccc(C#N)cc1	799198253	DZPFZHGTWXWMQG-UHFFFAOYSA-N	320.418	1.004	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ncccc1Br	793746104	JSRIUMPYWLXOEG-UHFFFAOYSA-N	312.102	1.530	50	20	DDGD	
O=C(NN=C[C@H]1CCCSC1)c1ccc(-n2cnnn2)cc1	794883276	XAVQYYTWCVVOBC-LLVKDONJSA-N	316.390	1.521	50	20	DDGD	
C[C@H]1CSCC1=NNC(=O)Cc1nc2ccccc2n1C	794872328	DJERMBBTBXJHOP-JTQLQIEISA-N	302.403	1.971	50	20	DDGD	
C#CCOc1ccc(NC(=O)C(=O)NNc2ncccc2C)cc1	792380661	YXQUKDWWUGHBPK-UHFFFAOYSA-N	324.340	1.484	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(=O)C(C)(C)C)c2ccccc2n1	799009425	XYRMLKVBSFDZRI-UHFFFAOYSA-N	313.357	1.919	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)COc1ccccc1OC	792797449	MWLGQYUTPQCZKP-XHDPSFHLSA-N	324.377	1.283	50	20	DDGD	
C=CCN(CC=C)C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1328614596	NFRLVIRMWQPOBC-ZWNOBZJWSA-N	315.211	1.477	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(C)nc(O)c2)nc1	1320684224	PIZBAKJHUOKILC-UHFFFAOYSA-N	302.290	1.034	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Nc1ccc(Cl)cc1)n1ccnc1	1325261967	JMZDNPPAQWMKHW-VIFPVBQESA-N	307.741	1.950	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCc2cncs2)cc1	1327785270	LOUWNJAAUPEJGZ-UHFFFAOYSA-N	305.359	1.546	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ncoc2[C@H]2CCCO2)n1	1321216883	FKINGANPCGCDTH-LLVKDONJSA-N	316.317	1.304	50	20	DDGD	
CCOc1cccc(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	1329236067	JXQPTXOCYMUVAS-RISCZKNCSA-N	321.377	1.341	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H](C)[C@@H](OC)C2CC2)cc1	1325485557	QAGAWSANBJDGIB-QMTHXVAHSA-N	321.377	1.453	50	20	DDGD	
Cn1ccc(CCC(=O)NNc2ccc(C(C)(C)C)nn2)n1	1324401116	ZVUJYBVYZVCQHE-UHFFFAOYSA-N	302.382	1.584	50	20	DDGD	
CC(C)Oc1cccc(NC(=O)NNC(=O)C2CCNCC2)c1	1327440206	OEBLEWCIQDSSBJ-UHFFFAOYSA-N	320.393	1.626	50	20	DDGD	
CC1=NO[C@](C)(C(=O)NNC(=O)NCCc2cccs2)C1	1337036121	QFSHDCIMZGTLAV-ZDUSSCGKSA-N	310.379	1.176	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc2c(c1)N(C)CCO2	1330183321	IXFAUIBENWUBRC-UHFFFAOYSA-N	308.407	1.033	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cc(CN(C)C)on1	1254721168	LBVSVBACTKXTRL-UHFFFAOYSA-N	318.333	1.280	50	20	DDGD	
CC(C)c1nnsc1C(=O)NNC(=S)N[C@H](C)C1CC1	1347180300	SPXLHUJDRDLDIW-SSDOTTSWSA-N	313.452	1.569	50	20	DDGD	
CC(C)[C@H](CO)NC(=O)NNC(=O)C(C)(C)c1ccccc1	1340664672	NGWSDCVUXLNUER-ZDUSSCGKSA-N	307.394	1.312	50	20	DDGD	
O=C(c1cccc(CCl)c1)N1CC[C@@H](N2CC[C@@H](O)C2)C1	1353690508	VADCRLGHIIPOMV-HUUCEWRRSA-N	308.809	1.707	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCc1ccsc1	1519760467	AZIGIQOJOGCBTJ-JQWIXIFHSA-N	311.407	1.436	50	20	DDGD	
O=C(COCc1ccccn1)NNc1cccc(C(=O)O)c1F	1608347737	AWXJQGHQUPNKRH-UHFFFAOYSA-N	319.292	1.579	50	20	DDGD	
Cc1ccc(NNC(=O)c2cn(C3CC3)nn2)cc1C(=O)O	1600461168	BFTJGGUOVYJQFC-UHFFFAOYSA-N	301.306	1.377	50	20	DDGD	
O=C(CN1CCCC1=O)NNc1ccc(C(=O)O)c(Cl)c1	1608330698	KKFRBRGYZHKCJM-UHFFFAOYSA-N	311.725	1.104	50	20	DDGD	
Cc1ccc(NNC(=O)c2nccn3ccnc23)cc1C(=O)O	1607809096	DHLKAKMVZGMDQL-UHFFFAOYSA-N	311.301	1.493	50	20	DDGD	
N#CC1(c2ccccc2)CCC(=NNC(=O)NCC(=O)O)CC1	1601058528	NIEXIGXJRVPUQU-UHFFFAOYSA-N	314.345	1.762	50	20	DDGD	
O=C(NC[C@H]1C[C@H]1C(=O)O)NNc1cc(F)c(F)c(F)c1	1608460930	MZJMKRLRYWGINM-IYSWYEEDSA-N	303.240	1.451	50	20	DDGD	
CO[C@H]1CCCC[C@@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1	1605030879	QBLQMQVNPZYVGE-STQMWFEESA-N	316.365	1.515	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CCCC(=O)O)c(C)c1	1605294184	PRTTZBRFVGRBFK-UHFFFAOYSA-N	309.391	1.876	50	20	DDGD	
C/C(=C\c1cccnc1)C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1602906532	NIYVJPCLIVIYOG-JXMROGBWSA-N	322.332	1.203	50	20	DDGD	
O=C(NNC(=O)[C@H](C(=O)O)C1CC1)c1cc2c(s1)CCC2	1605814730	QMBQBUNJONNMSI-LLVKDONJSA-N	308.359	1.109	50	20	DDGD	
C[C@H](NC(=O)c1ccoc1)C(=O)NNc1cccc(C(=O)O)c1	1604314370	XGCRYBVEZLSVDI-VIFPVBQESA-N	317.301	1.239	50	20	DDGD	
O=C(O)c1ccc(Cl)c(C(=O)NNC(=O)c2ccccn2)c1	1602356359	WHTUQSFIXWGFFV-UHFFFAOYSA-N	319.704	1.508	50	20	DDGD	
O=C(O)C12CC(C(=O)NNc3cc(C(F)(F)F)ccn3)(C1)C2	1608583308	YVWOEWCKBWVHJB-UHFFFAOYSA-N	315.251	1.798	50	20	DDGD	
Cc1ncc(CNC(=O)NNc2ccc(CC(=O)O)cc2)o1	1607980673	SYZSPQZHJKZLBT-UHFFFAOYSA-N	304.306	1.436	50	20	DDGD	
COc1cccc(NNC(=O)c2[nH]c(C)c(C(=O)O)c2C)n1	1610357364	WIEMQTKAIIHOMH-UHFFFAOYSA-N	304.306	1.490	50	20	DDGD	
COc1ccc2cc(C(C)=NNC(=O)NCC(=O)O)ccc2c1	1610352250	QFCZXPBBDFTPJL-UHFFFAOYSA-N	315.329	1.956	50	20	DDGD	
Cc1cnc(C=NNC(=O)[C@H]2CCCO[C@@H]2c2ccnn2C)o1	1549312877	DEMFIXGRLNXWNQ-FZMZJTMJSA-N	317.349	1.335	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)cnc1Cl	1549317431	LEZBOVLDFVASIL-QWHCGFSZSA-N	322.796	1.357	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@H]1C=NNC(=O)c1ncccn1	1552763522	VYVUFBSUVCXEEP-RYUDHWBXSA-N	314.349	1.186	50	20	DDGD	
Cc1cc(N)cc(CNC(=O)NNC(=O)CC(F)(F)F)c1	1579620016	JWNNPQDPOHVTJH-UHFFFAOYSA-N	304.272	1.360	50	20	DDGD	
CC(C)n1ccc(NC(=O)NNc2ncccc2C(=O)O)n1	1588982495	GUHRGVBUXLBJQE-UHFFFAOYSA-N	304.310	1.706	50	20	DDGD	
COc1cc(CCC(=O)NNc2ccc(C(=O)O)c(F)c2)on1	1599402902	PHRIBWUYOOLQGV-UHFFFAOYSA-N	323.280	1.596	50	20	DDGD	
C[C@H]1CO[C@H](C(=O)N(c2nc(CC(=O)O)cs2)N(C)C)C1	1594586164	HMYQGZJUQLHIDV-SCZZXKLOSA-N	313.379	1.005	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H]2CO[C@@H](CCC(=O)O)C2)cc1	1592705634	TYZVCWXHOVZLMZ-RISCZKNCSA-N	322.361	1.798	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2cc(F)c(F)c(F)c2)O[C@H]1C(=O)O	1599875716	BKGJDERATDMENB-UZNWJXFASA-N	318.251	1.425	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)C1(C)CCC(=O)CC1	1599375963	JOXDWLZIXQAJCP-UHFFFAOYSA-N	320.345	1.986	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc(C(=O)O)cc2F)n1	1599722772	QYYUYTFPOMLVHE-UHFFFAOYSA-N	306.253	1.079	50	20	DDGD	
Cn1ncc(C=NNC(=O)c2cccc(C(=O)O)c2)c1Cl	1776095476	ABZDHNBYBPAXKF-UHFFFAOYSA-N	306.709	1.536	50	20	DDGD	
CC(=NNC(=O)c1nccs1)c1cc(C(=O)O)ccc1O	1776109258	BAHRKBJHSAWYFZ-UHFFFAOYSA-N	305.315	1.701	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)c(C)c1	5271897	YQUXLESDBDTHFH-UHFFFAOYSA-N	315.329	1.087	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2csc(CC(C)C)n2)[nH]n1	152984576	VPWKOYCEBUIEDE-UHFFFAOYSA-N	307.379	1.448	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)SCc2ccccc2)[nH]n1	153230720	ZLQASARRVXFUQV-NSHDSACASA-N	318.402	1.801	50	20	DDGD	
COc1ccc(NNC(=O)c2c(C)noc2C)c([N+](=O)[O-])c1	155225966	PTECHIRUMUPPGG-UHFFFAOYSA-N	306.278	1.965	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	154119472	VGLQSZCOQXFCJQ-CQSZACIVSA-N	322.390	1.450	50	20	DDGD	
CC(C)n1nccc1C(=O)NNC(=O)COCc1ccccc1	154520826	NBNGCZIJNMZPSB-UHFFFAOYSA-N	316.361	1.442	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)O1	154707213	HHQPSKKABRJFTF-FZMZJTMJSA-N	314.345	1.201	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1	486871	QSNZOQQOWLKQFB-UHFFFAOYSA-N	310.762	1.963	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)cc(Cl)c1)C(=O)NC1CC1	9889637	KAHKUVOADXDULS-UHFFFAOYSA-N	316.144	1.033	50	20	DDGD	
Cc1ccc(N2C[C@H](C(=O)NNC(=O)C(C)C)CC2=O)cc1F	26238706	JWPVHWJPAZFRTQ-LLVKDONJSA-N	321.352	1.290	50	20	DDGD	
COCC[C@H](C)NC(=O)NNC(=O)Cn1ccc2ccccc21	104794617	WRSYAXMPYFLMGN-LBPRGKRZSA-N	318.377	1.397	50	20	DDGD	
NC(=O)COc1cccc(C(=O)NNc2ncccc2Cl)c1	114885275	XTRRPEKHNBDFGX-UHFFFAOYSA-N	320.736	1.356	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)c2ccccc2O)cc1	116554778	WAKSELJDTPUCJE-UHFFFAOYSA-N	313.357	1.887	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2c(F)cccc2F)cn1	119881927	LIYUPXVYAJYIJX-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
CCN1CCN(c2ccc(CNC=C(C#N)C#N)cc2F)CC1	106722392	NPEMFLBMLRNAKH-UHFFFAOYSA-N	313.380	1.988	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)/C=C/c1ccccc1C#N	28716936	BAEOFHXCFNSOJR-CMDGGOBGSA-N	302.403	1.865	50	20	DDGD	
C[C@@H](CBr)CN1CC[C@@H](CN2CCOCC2)C1	248736601	QXNFSZBCUSXQKL-STQMWFEESA-N	305.260	1.672	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)N1CCOCC1)c1cccc(Cl)c1	175932053	BOTMVGOEBUUITF-PKNBQFBNSA-N	323.780	1.816	50	20	DDGD	
CCCNC(=O)NNC(=S)Nc1ccc(NC(C)=O)cc1	66012280	LNWMZQVKIFVYAE-UHFFFAOYSA-N	309.395	1.556	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C1(C#N)CCOCC1)c1ccccc1	110337949	VGPUYJFHBSMLQY-AWEZNQCLSA-N	315.373	1.648	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2ccc(C#N)cc2)cn1	25246580	OHCPIKPHVRSNLP-UHFFFAOYSA-N	310.313	1.102	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNC(=O)c2ccc(C#N)cc2)c1	61463341	UZFFMBSHGWXAMV-UHFFFAOYSA-N	323.308	1.420	50	20	DDGD	
COC(=O)N1CCCN(C(=O)NCCSSC)CC1	1342494381	ACWJUFKAGIIOOL-UHFFFAOYSA-N	307.441	1.481	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc3c(s2)CCOC3)n1	171273931	FLDIFIREYQQNQG-UHFFFAOYSA-N	304.375	1.985	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCOC2CCOCC2)cc1	177056366	ZJWJMVXUIASXAB-UHFFFAOYSA-N	320.389	1.596	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2ccccc2F)nc1	124299047	LDNKNKKMHYYCJM-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
CC(C)Cc1ccc(S(=O)(=O)NNC(=O)c2ccc[nH]2)cc1	122306859	ZRGZNWJRTLYEKV-UHFFFAOYSA-N	321.402	1.837	50	20	DDGD	
C[C@H]1CC(C(=O)NNC(=O)CNC(=O)c2ccco2)C[C@H](C)C1	183689915	SDUTZHMLUCINPP-GHMZBOCLSA-N	321.377	1.229	50	20	DDGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C)CCO)c1C	127987729	RTLNSEMJQXSHEU-WPBJZHHJSA-N	319.405	1.670	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2COc3ccccc3O2)nc(C)n1	129093289	PIROHJHYHHWYIN-CYBMUJFWSA-N	300.318	1.377	50	20	DDGD	
CCn1nc(C)c(NC(=O)NNC(=O)Cc2ccncc2)c1C	183652054	NNUBWSUUDLJCQY-UHFFFAOYSA-N	316.365	1.310	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)C)nc(C(F)(F)F)n1	188335758	YZQJFHWFOTYZMU-UHFFFAOYSA-N	304.272	1.611	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1c(C)noc1-c1ccccc1	126521617	LIHPPTFPUWYRJR-UHFFFAOYSA-N	318.333	1.839	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)Nc1cccnn1	186550549	LMNOAERDHOTRCL-UHFFFAOYSA-N	323.316	1.333	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)C2(C#N)CCCC2)c1	70809258	JXSIKSIIQACRJL-UHFFFAOYSA-N	300.362	1.598	50	20	DDGD	
COCCN1C[C@H](C(=O)NNc2ccc(Cl)cc2)CC1=O	120077163	SOXMJYFJFKQCET-SNVBAGLBSA-N	311.769	1.278	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccc(Cl)cn2)c1	120170913	HCAGRASDIMEXNW-UHFFFAOYSA-N	300.705	1.681	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2ccc(C)cc2O)cc(=O)[nH]1	183508095	KCHHPWNNYNREME-UHFFFAOYSA-N	315.329	1.026	50	20	DDGD	
O=C(CC[C@@H]1CCCO1)NNC(=O)c1c[nH]c2ccccc12	78466433	YQOLNMULCRYGMO-NSHDSACASA-N	301.346	1.888	50	20	DDGD	
CN(NC(=O)C1(c2cccc(Cl)c2)CCOCC1)C(N)=O	181076059	BCQJTRQIGLZAQV-UHFFFAOYSA-N	311.769	1.430	50	20	DDGD	
C[C@@H](CCc1ccc(O)cc1)NC(=O)NNc1cccnn1	77341392	UWGVNDLRDSRDLE-NSHDSACASA-N	301.350	1.830	50	20	DDGD	
O=S(=O)(CCCCCl)NC[C@H](O)c1ccccc1F	184430980	CDWOSIJKMVJDRG-LBPRGKRZSA-N	309.790	1.798	50	20	DDGD	
O=C(NNC(=O)c1ccc(Oc2ccccc2)nc1)NC1CC1	138626841	XHKKKIVULODJGA-UHFFFAOYSA-N	312.329	1.980	50	20	DDGD	
CN(NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)C(N)=O	181067114	JTIRZCGRACYUJT-UHFFFAOYSA-N	301.268	1.779	50	20	DDGD	
CCC[C@@H](CC)NC(=O)NNC(=O)COc1ccccc1C#N	195397491	ITJLKNQKJQWITM-CYBMUJFWSA-N	318.377	1.846	50	20	DDGD	
Cc1cncc(NC(=O)C(=O)NNc2ccc(F)cc2F)c1	131252846	USGKMBINFQCOHR-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H](C)CCN(C)C	81397074	RSXXUJSCGZPQOE-SNVBAGLBSA-N	300.834	1.809	50	20	DDGD	
Cc1cccnc1C(F)(F)C(=O)NNC(=O)NCc1ccco1	194428507	QGUQSWKULJEZDU-UHFFFAOYSA-N	324.287	1.605	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cc2ccccn2c1	81443430	RFULXDJYZFUMBS-UHFFFAOYSA-N	316.361	1.005	50	20	DDGD	
Cc1cccc(NNC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c1	192836490	HBHQXZIYRIXTLY-OKILXGFUSA-N	315.373	1.613	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cc(Br)ccc1F	190046991	XTFWJKGGBONFMA-UHFFFAOYSA-N	319.130	1.120	50	20	DDGD	
O=C(NNS(=O)(=O)C1=Cc2ccccc2OC1)c1ccc[nH]1	190213778	SSWHIBILXBSQGW-UHFFFAOYSA-N	319.342	1.012	50	20	DDGD	
CSCc1nc2ccccc2n1CC(=O)NNC(=O)N(C)C	194927643	SCJKBUJBGSSMQF-UHFFFAOYSA-N	321.406	1.202	50	20	DDGD	
FC(F)CN1CCCN(CCI)CC1	191017849	NZZAXUDHYPBHBG-UHFFFAOYSA-N	318.149	1.694	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCc2ccncc2)cc1	97405740	NLMLIVXAZMLWDP-UHFFFAOYSA-N	313.357	1.549	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ncccc1C(F)(F)F	92281767	YOLAKVSXKKLJKZ-QMMMGPOBSA-N	303.240	1.040	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(SC)o1	265882057	NACJNSHDHRGDBN-UHFFFAOYSA-N	313.379	1.067	50	20	DDGD	
CN(NC(=O)[C@@H]1CCCCCN1C(=O)OC(C)(C)C)C(N)=O	364475686	BZTJFHPTAUIESK-JTQLQIEISA-N	314.386	1.208	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ncccc1OCCCC#N	276093996	QAWBEEILROUGQB-UHFFFAOYSA-N	319.365	1.963	50	20	DDGD	
CC(Cl)(Cl)C(=O)NNC(=O)COc1ccccc1O	271950012	JACXHZGBCDBKRG-UHFFFAOYSA-N	307.133	1.112	50	20	DDGD	
Cc1cccnc1NNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O	276656790	BEKRZFBXJBICBM-RYUDHWBXSA-N	316.361	1.008	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCCC[C@@H](C)CO)cc1	270476408	HYWZUOIWXZYOAT-CYBMUJFWSA-N	323.393	1.113	50	20	DDGD	
C[C@@H]1CCC[C@@H]1CC(=O)NNc1nc(O)c2cnn(C)c2n1	274411233	IYIFJWDUDIIHAO-RKDXNWHRSA-N	304.354	1.338	50	20	DDGD	
C[C@H](O)c1cn(CC(=O)NNc2c(F)cccc2Cl)nn1	274599871	KXXCRJYZQKLTQC-ZETCQYMHSA-N	313.720	1.267	50	20	DDGD	
COc1ccc(OC)c(CC(=O)NNc2cccc(OC)n2)c1	272509028	IMRBYKGOIOFZEQ-UHFFFAOYSA-N	317.345	1.793	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C(C)(C)c1ccccc1)C(=O)OC	277327329	VCEAPUPBYHYTLH-LBPRGKRZSA-N	306.362	1.311	50	20	DDGD	
CN(C)c1nccc(NNC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)n1	370933696	DHBXAZKXXGKFQJ-FOSCPWQOSA-N	317.393	1.381	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@]12CCOC2)Nc1cc(F)cc(F)c1	374782328	RXDBUQVZBIXEIX-SMDDNHRTSA-N	311.288	1.544	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)c2ccc3ccccc3n2)CC1	282930918	FWGYLAOQWVMMQU-UHFFFAOYSA-N	313.357	1.813	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCn3ccnc3C2)c1	371676955	QAVSYQPMQZTVRL-NSHDSACASA-N	314.345	1.375	50	20	DDGD	
CC1(C)CCC[C@@H]1NC(=O)NNc1ccc(-n2ccnc2)nn1	286833696	YUVZHNMDENZBTH-NSHDSACASA-N	315.381	1.867	50	20	DDGD	
COCCn1cc(CNC(=O)NNc2cc(Cl)ccn2)cn1	282831817	MKOKHPRGGLSKLV-UHFFFAOYSA-N	324.772	1.404	50	20	DDGD	
Cc1ccc2c(c1)CN(C(=O)NNC(=O)C(C)(C)C)CCO2	287428780	PYDHFRVKHRCDST-UHFFFAOYSA-N	305.378	1.976	50	20	DDGD	
COCCOc1ccc(S(C)(=O)=O)cc1NC=C(C#N)C#N	284995685	GQJIHEKWVAIOJR-UHFFFAOYSA-N	321.358	1.458	50	20	DDGD	
N#CCCCCCC(=O)NNC(=O)COc1ccc(C#N)cc1	805152674	HJUUIPPENLTTOE-UHFFFAOYSA-N	314.345	1.559	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](C)Oc2ccc(C=O)cc2)nc1	803151187	XOZMJVAQBGPCBC-LLVKDONJSA-N	315.329	1.813	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H]2CC(=O)N(CCOC)C2)cc1	294255907	HJCOUAMAYDVOEI-LBPRGKRZSA-N	321.377	1.023	50	20	DDGD	
CCCCOC(=O)/C(C#N)=C/c1cn(C)nc1C(=O)OCC	291967710	SKYDFGVUOCLOIS-DHZHZOJOSA-N	305.334	1.847	50	20	DDGD	
C=CCNc1ncc(C(=O)NNC(=O)[C@@H]2CCCCO2)s1	295653750	VHBFTZJHAAFVFZ-VIFPVBQESA-N	310.379	1.071	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@@H]2CC2(F)F)c1C	294407251	PUTAFQJXOKIKDJ-QWRGUYRKSA-N	312.316	1.873	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1ccc(C(F)F)cc1	808083494	XWPASKSKLULHAE-UHFFFAOYSA-N	307.322	1.527	50	20	DDGD	
Cc1ccc2c(c1)CC[C@H]2NC(=O)NNC(=O)[C@@H]1CCCCO1	296369554	OIVFCTXITRKNGD-CABCVRRESA-N	317.389	1.882	50	20	DDGD	
CSCC[C@@H](C)NC(=O)NNc1ccc(-n2ccnc2)nn1	805135128	GTFJIUAKPOXTST-SNVBAGLBSA-N	321.410	1.430	50	20	DDGD	
O=C(NNC(=O)c1ccnc(-n2cncn2)c1)Nc1ccccc1	801986089	WYNGJXOCYUNJOE-UHFFFAOYSA-N	323.316	1.129	50	20	DDGD	
Cn1c(O)nc2ccc(C(=O)NNc3cccc(F)n3)cc21	804771988	WPTDTWWZVSLYQM-UHFFFAOYSA-N	301.281	1.570	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)c2cnco2)c1	802112791	RZILBNIJHOYOOW-UHFFFAOYSA-N	310.697	1.803	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1cnc(N(C)C)n1C	811638786	ACSJXDBLGARXCK-UHFFFAOYSA-N	315.377	1.188	50	20	DDGD	
Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)NN(C)C1CC1	819648771	RLZKQJALTHZIRV-UHFFFAOYSA-N	323.418	1.274	50	20	DDGD	
CC(=NNC(=O)C(F)F)c1ccc(N2C(=O)CCC2=O)cc1	814226340	ADYWNFXEHRVWQZ-UHFFFAOYSA-N	309.272	1.445	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@H]1CCc2cncn2C1	816918172	RAXZNIUGHAXVGG-JTQLQIEISA-N	301.306	1.497	50	20	DDGD	
C#Cc1cccc(NC(=O)C(=O)NNc2cccc(Cl)n2)c1	815727387	VZWYWNBUCOYEMU-UHFFFAOYSA-N	314.732	1.798	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@@H]1CCCCS1(=O)=O	816337263	NGNQZDVVRBKLJI-LBPRGKRZSA-N	316.354	1.245	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)COc2ccccc2O)c[nH]1	814950996	IATUFSQLWGQLNX-UHFFFAOYSA-N	317.301	1.036	50	20	DDGD	
Cc1nsc(NC2CC2)c1C(=O)NNC(=O)C1CCCC1	814300570	OPQXAMQOSVDKTH-UHFFFAOYSA-N	308.407	1.977	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1ccc([N+](=O)[O-])s1	814952260	RKUCTOIJYUCSOO-UHFFFAOYSA-N	321.314	1.891	50	20	DDGD	
COc1cc(NNC(=O)NCCc2cn[nH]c2)ccc1Cl	812519545	JFPWAIWRQVZOTQ-UHFFFAOYSA-N	309.757	1.941	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H]1CCCCN1Cc1ccccc1	823860735	ZOBLGNUMXSNBMU-INIZCTEOSA-N	305.422	1.387	50	20	DDGD	
C/C(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)=C/c1ccccc1	728436792	SOXCOPGSBRXYQF-PXHICWDESA-N	309.391	1.130	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1ncnc2ccsc12)C(C)(C)C	827031831	GFVBGKJXAOKXDI-LLVKDONJSA-N	321.406	1.685	50	20	DDGD	
COC(=O)N(C)N=C(C)c1cc(S(N)(=O)=O)c(C)cc1C	496641480	OWCJHOQGQKGUNS-UHFFFAOYSA-N	313.379	1.373	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1cc(C(F)F)ccc1Cl	496574278	UYTDAXRTNKALDI-UHFFFAOYSA-N	321.667	1.603	50	20	DDGD	
CO[C@@H](C)CCNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	726713559	HBQHFRWBRCKKCO-GVMDUPDNSA-N	323.437	1.958	50	20	DDGD	
CCN(CC)Cc1cc(C(C)=NNC(=O)CN(C)C)ccc1O	727648192	XQDFSYKRRVJXKQ-UHFFFAOYSA-N	320.437	1.636	50	20	DDGD	
Cc1cccc([C@@H]2CCN(CC(=O)NNC(=O)C(C)C)C2)c1	828786498	ZWELYZSSOUXBFZ-OAHLLOKOSA-N	303.406	1.588	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CN(C)CC(C)(C)C	823009999	CACOWGBLWLTYLM-UHFFFAOYSA-N	321.421	1.363	50	20	DDGD	
O=C(/C=C/c1ccc(O)cc1)NN=c1nc(-c2cccnc2)[nH]o1	492613282	MXQHADRTWXKYMD-VMPITWQZSA-N	323.312	1.416	50	20	DDGD	
C#CCO[C@H](C)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	822219263	YGTLZFXGRQCMFT-LLVKDONJSA-N	320.414	1.816	50	20	DDGD	
COC(=O)N(C)CCNC(=O)NNc1ccc(C)cc1Cl	822772322	LKIUKEUYQGZBCX-UHFFFAOYSA-N	314.773	1.973	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(F)c2occc12	823476467	YTJLYNUBXTYDPO-DTWKUNHWSA-N	306.293	1.758	50	20	DDGD	
COC(=O)N(C)NC(=O)Cc1csc(-c2ccccn2)n1	495694018	WNJBKTZOXJYPQN-UHFFFAOYSA-N	306.347	1.477	50	20	DDGD	
CC(C)NC(=O)NN=Cc1c[nH]c2ccc(-c3nn[nH]n3)cc12	820137062	DPKQMJRJUMQWJT-UHFFFAOYSA-N	312.337	1.390	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)/C=C/c1ccccc1OC(F)(F)F	823907977	QYHXAJYXCNOMNE-JARNTUPDSA-N	318.295	1.942	50	20	DDGD	
CN(C)Cc1ccc(C(=O)NNC(=O)CC(F)(F)F)cc1	725888201	BTBJBLPKNVVZLE-UHFFFAOYSA-N	303.284	1.462	50	20	DDGD	
CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)NNc1ccccn1	497157219	BIWQFWCRLZLZSB-LLVKDONJSA-N	324.381	1.455	50	20	DDGD	
CCN1C[C@@H](NC(=O)/C(C#N)=C/c2ccc(F)cc2)CC1=O	490977723	URDBDURAHQQYAX-GMMCIKNFSA-N	301.321	1.470	50	20	DDGD	
C[C@H](NNC(=O)c1cc2c(nc1O)CCC[C@H]2O)C(F)(F)F	824829401	HMXNXJSQYBDVIT-QUBYGPBYSA-N	319.283	1.342	50	20	DDGD	
CCCC[C@H](CC)C(=O)NNC(=O)CNC(=O)OC(C)(C)C	494454068	OHCHODJKJGZTIY-NSHDSACASA-N	315.414	1.875	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCO[C@@H](Cc2ccccc2)C1	490813525	QAKOMCMQLRTBTC-KGAUPUERSA-N	300.358	1.900	50	20	DDGD	
COCC(COC)OC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	908831725	WBSMASNPVLQYHP-WLRTZDKTSA-N	317.345	1.317	50	20	DDGD	
O=C(c1cc(-c2ccccc2Cl)on1)N1CC[C@@H](B(O)O)C1	585069891	TUFHSFFFCDTUHE-SECBINFHSA-N	320.541	1.684	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCN2C2CCCC2)c1	821797462	PUUBZMRCYQQJPD-OAHLLOKOSA-N	317.389	1.933	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(Cl)nc(N2CCCC2)c1	823959694	NWXSDVCRUJZANA-SNVBAGLBSA-N	312.801	1.293	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)N[C@@H]1CCC[C@H](C2CC2)C1	824859595	NJWPTXYCPWGXST-BFHYXJOUSA-N	309.410	1.855	50	20	DDGD	
Cc1ccc(NCCCNC(=O)/C(C#N)=C\c2cnn(C)c2)nc1	491132071	MGXOHWKTSIGUOJ-NVNXTCNLSA-N	324.388	1.649	50	20	DDGD	
O=C(c1occc1COc1ccccc1)N1CC[C@H](B(O)O)C1	585071888	CNARXTKGVMNGJI-ZDUSSCGKSA-N	315.134	1.548	50	20	DDGD	
C[C@]12CN(C(=O)c3ccc(B(O)O)c(F)c3)C[C@@H]1[C@@H]1CC[C@H]2C1	584999841	MHUKROBVCSLYLA-HWAANXBSSA-N	317.169	1.014	50	20	DDGD	
CC[C@H](C)[C@H](NNC(=O)Cn1ccc2ccccc21)C(=O)OC	905759704	OGRDGJLMOBQEAJ-LRDDRELGSA-N	317.389	1.850	50	20	DDGD	
CCOCCOCc1cccc(NCc2ccc(B(O)O)o2)c1	585011770	FFCVHQDJFXOENB-UHFFFAOYSA-N	319.166	1.125	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCc1cccc(F)c1	825566764	OHFYDQQZZQWVLV-GWCFXTLKSA-N	309.341	1.124	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-]	496007845	CSKFFAAOARPSRX-UHFFFAOYSA-N	301.230	1.133	50	20	DDGD	
CCO[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	827149686	RRCNRLUGVUZENK-UMSGYPCISA-N	313.398	1.090	50	20	DDGD	
COc1ccc(Cl)cc1CCNCc1cccc(B(O)O)c1	585023740	LRRUNCFEJQQMDL-UHFFFAOYSA-N	319.597	1.361	50	20	DDGD	
CC[C@H](NCc1ccc(B(O)O)cc1)c1cc(F)ccc1F	585024927	HTNLASNQHLPKOU-INIZCTEOSA-N	305.133	1.886	50	20	DDGD	
C[C@@H]1CCCCN1C(=O)COC(=O)/C(C#N)=C/c1cnn(C)c1	837969916	VBLKEJBEQWBXAX-CWZJEYLYSA-N	316.361	1.271	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cnn(CC2CCC2)c1	901195047	CWFAGEKGJFBFEW-UHFFFAOYSA-N	319.409	1.438	50	20	DDGD	
C=CCN1C(=O)C(=NNC(=O)c2cnn(C)c2)c2ccccc21	735412164	OUINBDOSIVPCKC-UHFFFAOYSA-N	309.329	1.087	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)c1ccc[nH]1)c1cccc(Cl)c1	735506548	CARSYXCSNJMQOC-LBPRGKRZSA-N	307.737	1.817	50	20	DDGD	
CC(C)n1ncc2c1[C@@H](NCc1cccc(B(O)O)c1)CCC2	585036701	OWALQMZQVCSHDR-INIZCTEOSA-N	313.210	1.311	50	20	DDGD	
O=S(=O)(CCl)NC[C@H]1CCN(c2ccccc2F)C1	831597041	DHIVJWOYLVDITJ-SNVBAGLBSA-N	306.790	1.768	50	20	DDGD	
CN1C(=O)CC[C@H]1CC(=O)NNc1ccc(F)c(F)c1F	830782026	OAVULBNNBLVFTM-ZETCQYMHSA-N	301.268	1.558	50	20	DDGD	
O=C(CCC(=O)N1CC[C@@H](B(O)O)C1)c1c(F)cccc1F	585068196	YITTXRRTMYOVDD-SECBINFHSA-N	311.093	1.003	50	20	DDGD	
CO[C@@H](C=NNC(=O)CNc1ccc(C)cc1)C1CCOCC1	834920166	HTFFQSRRHCLWMT-INIZCTEOSA-N	319.405	1.951	50	20	DDGD	
CN(C)CCCNC(=O)NNC(=O)C(C)(C)c1ccccc1	731281731	SJWJMCWIYVNVAJ-UHFFFAOYSA-N	306.410	1.246	50	20	DDGD	
CC(C)CN(CC(=O)NNC(=O)C1CC1)Cc1ccccc1	733194964	YNBZJEBDDVOECS-UHFFFAOYSA-N	303.406	1.702	50	20	DDGD	
O=C(NNc1cccnn1)c1nc(N2CCCC2)ncc1Cl	736695124	UDJVLQCPMOOQJD-UHFFFAOYSA-N	319.756	1.277	50	20	DDGD	
CON1CCC(=NNC(=O)[C@@H](C)Oc2ccccc2F)CC1	834930968	ZFUGJMUZDAGZOA-LLVKDONJSA-N	309.341	1.722	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2ccccc2O1)[C@@H]1CCCCO1	839780563	BOHDXCJIDKLFJE-KBPBESRZSA-N	304.346	1.097	50	20	DDGD	
CC(C)n1cc(CNC(=O)[C@@]2(C)C[C@@H]2Br)nn1	908331848	GDFHRVRKWOADGU-ONGXEEELSA-N	301.188	1.649	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@@H]2CSC[C@H]2C)cc1	836454584	VCOBMUNVBXIGJS-BXKDBHETSA-N	324.406	1.782	50	20	DDGD	
COc1ccc(C=NNC(=O)c2ccccn2)cc1-c1nn[nH]n1	737082700	YHJGONWXOULBPI-UHFFFAOYSA-N	323.316	1.034	50	20	DDGD	
O=C(NCCc1ccc2c(c1)OCO2)NNC(=O)C1CCC1	732237735	GBBXMKOSQNWSAP-UHFFFAOYSA-N	305.334	1.088	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2C[C@H]2OC(C)(C)C)nc1	831285511	MPZABHWSXGMHNM-GHMZBOCLSA-N	307.350	1.515	50	20	DDGD	
C=CC[C@@H]1N(C(=O)c2cc(B(O)O)ccc2F)CCCC1(C)C	584982651	PGKMNLFNQONABC-HNNXBMFYSA-N	319.185	1.712	50	20	DDGD	
CC(C)(C)OC(=O)[C@@]1(C(=O)NNc2ncc(F)cn2)CC1(C)C	831345945	FGJTUWRQLUFOEV-HNNXBMFYSA-N	324.356	1.817	50	20	DDGD	
O=C(O)CCCCNC(=O)NNc1cc(F)c(F)cc1F	739670729	FCJGNXNMBITDAG-UHFFFAOYSA-N	305.256	1.985	50	20	DDGD	
CCn1cnc(C(=O)NNc2ccc(C(F)(F)F)nn2)c1	831158721	ZYCUUFGDGDLJDG-UHFFFAOYSA-N	300.244	1.469	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@](F)(C(=O)O)C1	833015263	CCVLBKFIHFLMKW-CYBMUJFWSA-N	317.748	1.378	50	20	DDGD	
CC(C)c1ccc(NNC(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)cc1	837053323	RJMCFABLGZVNQZ-NHYWBVRUSA-N	319.405	1.529	50	20	DDGD	
C[C@@H](NC(=O)NNc1cc(C(F)(F)F)ccn1)C(=O)N(C)C	836339153	IESFFTGCYWZGTI-SSDOTTSWSA-N	319.287	1.203	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H]2CCN(CC)C2=O)cc1	838585733	PQUNMSSZSDMSIZ-CYBMUJFWSA-N	306.366	1.332	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H](F)C(F)(F)F)cc1F	837058933	PMVWTYNGVOWFMK-MRVPVSSYSA-N	312.194	1.956	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2ccc(C(=O)O)[nH]2)c2ccccc21	749809612	HKKWIYPZQNIGJO-UHFFFAOYSA-N	310.313	1.969	50	20	DDGD	
COc1ccc(CCC(=O)NNc2ccc(C(=O)O)cn2)cc1	833731430	BDIPHVNWIRHPNA-UHFFFAOYSA-N	315.329	1.864	50	20	DDGD	
CC(C)(C)CC(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1	744485125	RJNRPQAOFRHGAA-UHFFFAOYSA-N	317.345	1.299	50	20	DDGD	
CCCCOc1ccc(NC(=O)NNC(=O)CCCN)cn1	841198497	VMFAXNASTVQTLF-UHFFFAOYSA-N	309.370	1.152	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1C	843654738	SERKSGYTHNCGDZ-VXGBXAGGSA-N	308.382	1.178	50	20	DDGD	
Cc1cc(O)cc2c1C(=O)C(=NNC(=O)c1ccc(C#N)cc1)O2	747052779	NNOQXCDOIWTSAZ-UHFFFAOYSA-N	321.292	1.891	50	20	DDGD	
CCN1CCC(=NNC(=O)[C@H](C)CN2CCCCC2)[C@H](C)C1	741454784	HLNUGLBUCKPMLD-HUUCEWRRSA-N	308.470	1.942	50	20	DDGD	
CCC(CC)n1nc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1C	843657867	DCUGSHUWHCAEKQ-AAEUAGOBSA-N	322.409	1.739	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@H](C)NC(=O)C1CCCC1	846643007	JGWPSIBGCGBDOB-JTQLQIEISA-N	323.368	1.972	50	20	DDGD	
O=C(NCC[C@H]1CCNC1)NNC(=O)c1cc2c(s1)CCC2	841938296	MDWSJVFFSNSUGH-SNVBAGLBSA-N	322.434	1.180	50	20	DDGD	
CCOc1ccc(C=NNC(=O)CN2CCCC2=O)cc1OC	916359364	YEAMQWYLLDMWEA-UHFFFAOYSA-N	319.361	1.166	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1c(F)cccc1F	916362027	HGWMUBIOARTRGJ-LLVKDONJSA-N	311.332	1.383	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(OC(F)F)c(Cl)c1	910181544	CGVIADZLUYZETM-ZETCQYMHSA-N	308.712	1.899	50	20	DDGD	
Cc1ccc(C=NNC(=O)CCCNC(=O)OC(C)(C)C)nn1	841633595	UYFCWKRBRWLLMQ-UHFFFAOYSA-N	321.381	1.540	50	20	DDGD	
O=C(Cn1cc(Br)cn1)NNc1ccc(F)cc1	917003479	AKBFFIRGANLQRE-UHFFFAOYSA-N	313.130	1.928	50	20	DDGD	
C[C@@H](C(=O)NNc1ccnc(N(C)C)n1)c1ccccc1F	740112548	NBYQATRVMXBZMC-SNVBAGLBSA-N	303.341	1.929	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1snc(Cl)c1Cl	846231431	LHBMOZGLOTUYSU-RXMQYKEDSA-N	324.189	1.780	50	20	DDGD	
C[C@H](NC(=O)NNc1ncc(Br)cn1)C1CC1	846764466	XGGVBKXYNQIBFM-LURJTMIESA-N	300.160	1.664	50	20	DDGD	
C[C@@H]1c2ccsc2CCN1CC(=O)NNC(=O)C(C)(C)C	744385520	PMQGFXRJXKALKV-SNVBAGLBSA-N	309.435	1.861	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc(-n2ccnc2O)cc1	845074396	LIBUYBLMTHYXHQ-UHFFFAOYSA-N	318.333	1.747	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2ccc(O)nn2)c(C)c1	913428402	SQWXKEIAFRCHJM-UHFFFAOYSA-N	317.374	1.430	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cccc(Cl)c1)Cc1ccoc1	918738768	NXHVZTQWHSZCDU-UHFFFAOYSA-N	321.764	1.826	50	20	DDGD	
CCCOc1cc(C=NNC(=O)N2CCOCC2)ccc1OC	745591311	UOXVSRCWTCNYSR-UHFFFAOYSA-N	321.377	1.860	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2ncccc2C)c1	749865764	TUINADYHCKPTIY-UHFFFAOYSA-N	315.329	1.482	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc(Cl)cc2)CCN1	841988343	QUAYNUORQRPPII-BXKDBHETSA-N	310.785	1.425	50	20	DDGD	
CCc1ccc(C(C)(C)C(=O)NNC(=O)c2ncccn2)cc1	841350948	WLLDUFPQMLBRBV-UHFFFAOYSA-N	312.373	1.778	50	20	DDGD	
O=C(NNC(=O)c1ccccc1OC1CCC1)c1ncccn1	841350815	TYHZRVYMKLDEKU-UHFFFAOYSA-N	312.329	1.483	50	20	DDGD	
COc1ccc([C@H](C)CC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	843654348	RCQYHNZPNRDVKG-XUJVJEKNSA-N	320.389	1.761	50	20	DDGD	
CCOc1ccc(OC(C)(C)C(=O)NNC(=O)C2CC2)cc1	743818137	NDZCQWGPXPISOM-UHFFFAOYSA-N	306.362	1.800	50	20	DDGD	
CC(C)(CO)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	847286478	QQZDUFWRZZLZIB-UHFFFAOYSA-N	308.422	1.759	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1cccc(CC(F)(F)F)c1	841130154	KWCKQBMFVNEYQW-UHFFFAOYSA-N	318.299	1.683	50	20	DDGD	
Cc1cc(NNC(=O)CCNS(C)(=O)=O)ccc1Cl	928341963	LFCDYEXLQQVGLB-UHFFFAOYSA-N	305.787	1.031	50	20	DDGD	
CCCN1CCC[C@H]1C(=O)NNc1ccc(CC(=O)OC)cc1	846372749	ZVGXREZOXBFYNU-HNNXBMFYSA-N	319.405	1.720	50	20	DDGD	
C[C@@H]1CC2(CCOCC2)CN1C(=O)/C(C#N)=C\c1cnn(C)c1	844093942	LRPHAFOALSRSNC-QVYJARAXSA-N	314.389	1.745	50	20	DDGD	
CCC(=O)NN=C1C(=O)N(CCN(CC)CC)c2ccccc21	744666257	WPXMCRNMTGDYHE-UHFFFAOYSA-N	316.405	1.605	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)[C@H]1CCc2c[nH]nc2C1	743340001	WYQILILJXYSMCD-NSHDSACASA-N	307.357	1.628	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H](C)c2csnn2)n1	840459573	FUQAUNNNOYTQET-ZETCQYMHSA-N	309.355	1.032	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2=CCCCO2)cc1OC	746092131	FHOIBCASLFCZRM-UHFFFAOYSA-N	306.318	1.159	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@H]1CCc2ncncc2C1	843564047	HIKMBPIQDIPBEQ-AWEZNQCLSA-N	324.384	1.280	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=S)NC[C@H]1CCOC1	749673309	CKHZDZXXARKIPU-LLVKDONJSA-N	308.407	1.532	50	20	DDGD	
CC(C)C(=O)NNC(=O)C[C@@H](c1nccn1C)C(F)(F)F	847289632	OCRCTYVTEOVPAO-QMMMGPOBSA-N	306.288	1.260	50	20	DDGD	
O=C(NNc1c(F)cccc1Cl)[C@H]1CCCS1(=O)=O	846969550	ICEWZBICIZSSPC-SECBINFHSA-N	306.746	1.499	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccc(Oc2cccc(F)c2)cc1	756148862	OZUAJIVRUAYQGY-UHFFFAOYSA-N	319.292	1.763	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2CCc3cncn3C2)C[C@@H]1Br	857387212	FWRRLKLLMNJTNQ-XHVZSJERSA-N	312.211	1.735	50	20	DDGD	
CCCNC(=O)NNC(=O)c1csc(Br)c1	921039575	RTQVJIXJKJACCU-UHFFFAOYSA-N	306.185	1.865	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NCC2CC=CC2)cc1	858720198	FIIZVCQPQYNPLR-UHFFFAOYSA-N	304.350	1.997	50	20	DDGD	
CC(C)NC(=O)NN=Cc1ccc(N2CCC(O)CC2)cc1	853296312	BEGQJNGOEHLBIH-UHFFFAOYSA-N	304.394	1.689	50	20	DDGD	
CNC(=S)N(C)NC(=O)C[C@@H]1COc2cc(OC)ccc21	854923537	ZDELCJLMUPLMLY-SECBINFHSA-N	309.391	1.029	50	20	DDGD	
N#CC[C@@H]1CCCN(CC(=O)NNC(=O)c2cccs2)C1	852319253	ILOYIOMCGFWIEA-NSHDSACASA-N	306.391	1.135	50	20	DDGD	
O=C(NNc1ncccn1)C(F)(F)c1c(F)cccc1F	756917079	NGAIWEPUYRCTBZ-UHFFFAOYSA-N	300.215	1.990	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](C(=O)NNC(=O)c2cccc(F)n2)C1(C)C	856427214	RTTFMJNNUOXSBV-VHSXEESVSA-N	307.325	1.233	50	20	DDGD	
CCCCCCCCNC(=O)NNC(=O)C(=O)N1CCCC1	755074855	BYPLFCBFSASVAG-UHFFFAOYSA-N	312.414	1.300	50	20	DDGD	
CCn1cnc(C(=O)NNC(=O)COc2cccc(C)c2)c1	854188733	JNAZKFREMSLODM-UHFFFAOYSA-N	302.334	1.051	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2	856881205	PQQWNCYJPAICHW-HBNTYKKESA-N	323.784	1.714	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1	756044312	SMHBPCMQMGVQCC-VXGBXAGGSA-N	320.393	1.863	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNC(=O)OCC(F)(F)F	856022448	DGHRCZVFGTXCLS-UHFFFAOYSA-N	306.244	1.281	50	20	DDGD	
CCC1(CNC(=O)NNc2ccc([N+](=O)[O-])cc2F)COC1	854116567	OCNVQQRCISFKJJ-UHFFFAOYSA-N	312.301	1.787	50	20	DDGD	
CCO[C@H](CC(=O)NNc1ccc(C(=O)OC)cn1)C(C)C	759730627	LSIDFGOYFNOVJB-GFCCVEGCSA-N	309.366	1.763	50	20	DDGD	
COc1cc(C)cc2c1OCCC2=NNC(=O)c1cc[nH]n1	853392410	JUHLFXSXWSCXAZ-UHFFFAOYSA-N	300.318	1.643	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(C2OCCO2)cc1	854185766	JHSXCPATKYNHIH-UHFFFAOYSA-N	307.375	1.027	50	20	DDGD	
CCN(C(C)=O)c1nc(C=NNC(=O)c2cc[nH]n2)cs1	853393186	XIBAENYHYDGSDP-UHFFFAOYSA-N	306.351	1.003	50	20	DDGD	
COc1cc(CCC(=O)NNC(=O)Cc2ccc(F)cc2)on1	854237992	MGFXIQVHRCZUMA-UHFFFAOYSA-N	321.308	1.145	50	20	DDGD	
COC(=O)N1CCC(C(=O)NNc2nc3ccccc3[nH]2)CC1	857165990	JWILGLKCCTVBDE-UHFFFAOYSA-N	317.349	1.484	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H]2CCS(=O)(=O)C2)cc1F	853295335	QANDVNWKKNUPPI-SNVBAGLBSA-N	315.370	1.195	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(c2nc(N)nc(N)n2)C1	858631682	HBYAQMAHNFXECU-VIFPVBQESA-N	310.478	1.637	50	20	DDGD	
CNC(=S)N(C)NC(=O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C	854926736	JSGSVTGFDCPUKB-FRRDWIJNSA-N	315.483	1.931	50	20	DDGD	
CC[C@H](C)[C@H](C)NCC(=O)NNC(=O)c1cccc(C#N)c1	754171968	XXCRVTGWMKGACY-RYUDHWBXSA-N	302.378	1.343	50	20	DDGD	
NC[C@H]1OCC[C@@H]1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	852813882	IJNBRESMRSYOEC-GZMMTYOYSA-N	314.729	1.055	50	20	DDGD	
CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NNC(=O)c1cc[nH]n1	855357528	KIQGQKDVJMHZPZ-MDZLAQPJSA-N	308.382	1.545	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccc(C(F)(F)F)nn2)c1Cl	857475452	ARYJTCADEKKCEU-UHFFFAOYSA-N	320.662	1.639	50	20	DDGD	
COc1ccc(/C=C\C(=O)NN[C@@H](C)C(F)(F)F)cc1O	862315734	FDEQJKIULGHWHN-HORMHSFOSA-N	304.268	1.986	50	20	DDGD	
Cc1ccc(F)c(NC(=O)C(=O)NNC(=O)C2CCCC2)c1	764064011	AEZXZWDLRDDJHV-UHFFFAOYSA-N	307.325	1.410	50	20	DDGD	
CC[C@@H](CC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(C)cc1	862454589	HYUPJDXZBOWKMM-JSGCOSHPSA-N	317.389	1.305	50	20	DDGD	
Nc1nc(Cl)c(C=NNC(=O)C2CC2)c(N2CCCC2)n1	863951927	XRSRAIGPPZXZBH-UHFFFAOYSA-N	308.773	1.173	50	20	DDGD	
CCOc1nccc(C)c1C(=O)NNC(=O)Cc1cccnc1	764824275	TURHDZIZJJWFAH-UHFFFAOYSA-N	314.345	1.187	50	20	DDGD	
COC/C=C\C(=O)NNC(=O)CSc1ccccc1OC	867069017	SSOYHGAYJRLCMQ-YVMONPNESA-N	310.375	1.137	50	20	DDGD	
C[C@H](NNC(=O)CNC(=O)c1ccc(F)cc1)C(F)(F)F	862305374	ZFSLPVPFQZPBEP-ZETCQYMHSA-N	307.247	1.127	50	20	DDGD	
Cc1cc(C)c(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)s1	868434520	DUVANAQOCZOQHL-NSHDSACASA-N	316.448	1.471	50	20	DDGD	
Cc1cc(=NNC(=O)CCc2c(C)nc3ccnn3c2C)cc[nH]1	862510735	RPEWRTQXRIDNOM-UHFFFAOYSA-N	324.388	1.547	50	20	DDGD	
CC(C)Oc1ccc(NCc2ccc(B(O)O)cc2)cc1C#N	864038829	AGPMJCFECKMPJS-UHFFFAOYSA-N	310.162	1.637	50	20	DDGD	
C[C@@]1(CNc2ccccc2S(N)(=O)=O)C[C@H]1Br	865961860	XUNWBSDXAACYHL-MNOVXSKESA-N	319.224	1.919	50	20	DDGD	
CSc1ccccc1CC(C)=NNC(=O)CS(C)(=O)=O	863187048	VYIAWJMRLZWZKM-UHFFFAOYSA-N	314.432	1.488	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=O)NCC2CC2)cc1F	765254433	ZRJPEQRDHDYDAX-UHFFFAOYSA-N	308.313	1.138	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)[C@@H](F)c3ccccc3)nc21	769574207	CTJLBJMFVGJONA-JTQLQIEISA-N	316.296	1.223	50	20	DDGD	
CCCC1(C(=O)NNC(=O)COc2ccccc2OC)CC1	760263558	GEWNPWDGCSHICG-UHFFFAOYSA-N	306.362	1.802	50	20	DDGD	
CCCn1cc(C=NNC(=O)CCN2CCCCCC2)nn1	872335585	ROCMSBWJESFORY-UHFFFAOYSA-N	306.414	1.404	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cnc(C2CC2)s1	772089041	FJTLSIIPOWMDSO-SSDOTTSWSA-N	311.363	1.123	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@@H]2CCCN2C)c1	874947238	HBZZYSBGGNQWOE-LBPRGKRZSA-N	310.398	1.546	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCc2cnc(C)s2)n1	772016378	CJDWIGCGDISQBR-UHFFFAOYSA-N	322.394	1.427	50	20	DDGD	
CN=[S@@](C)(=O)c1cccc(NC(=O)NN(C)CCOC)c1	879832437	QTZRETVNKMZIGE-NRFANRHFSA-N	314.411	1.388	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(OC)c(OC)c(OC)c1	877911578	ABIDWVQNFKSXFF-UHFFFAOYSA-N	313.354	1.327	50	20	DDGD	
C[C@@H](CBr)COC(=O)c1ccc(C(N)=O)cc1	770327406	WMKOLUNNOGLBPI-QMMMGPOBSA-N	300.152	1.973	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cccc2c(C)ccnc12	777607719	JVFUUZGQRCKPMF-JTQLQIEISA-N	321.402	1.899	50	20	DDGD	
CC(=O)Nc1cc(NC(=O)NNc2ncc(F)cn2)ccc1F	775473824	BMSCFPARRODXPK-UHFFFAOYSA-N	322.275	1.862	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@@H]1COCc2ccccc21	883749876	SUSOHAUQUFSPQG-CQSZACIVSA-N	319.361	1.015	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@@H](C)c1cc(C)ccc1OC	774823665	LDKRRWNZDRVLAD-NWDGAFQWSA-N	307.394	1.600	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1O	776705379	ITCMKRIUQBFGAB-UHFFFAOYSA-N	305.256	1.765	50	20	DDGD	
C[C@H]1C[C@H]1c1ccc(CCC(=O)NNC(=O)C2CCOCC2)o1	883060478	NFQPTFPCIPEJDH-SMDDNHRTSA-N	320.389	1.910	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1O	887146985	SOTCUDPWSXPKJG-UHFFFAOYSA-N	314.263	1.976	50	20	DDGD	
CCC(=NNC(=O)c1nnc(O)c2ccccc12)c1cn[nH]c1	788964286	DHBAILRVKMAVPK-UHFFFAOYSA-N	310.317	1.603	50	20	DDGD	
CO[C@@H]1CCOC[C@H]1NC(=O)[C@@H](Br)C(C)(C)C	889189823	LAJLTAUDXFKDMA-OPRDCNLKSA-N	308.216	1.716	50	20	DDGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)c1cncc(Cl)n1	788149384	QZCWBOUHBXZUHN-UHFFFAOYSA-N	311.660	1.934	50	20	DDGD	
Cc1ccc(CCCC(=O)NNC(=O)N2CCN(C)CC2)s1	788169159	JTQDDFSSOJOXID-UHFFFAOYSA-N	324.450	1.367	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ncsc1C(F)(F)F	883068642	CMIFCFPXIKMJIK-UHFFFAOYSA-N	323.296	1.350	50	20	DDGD	
CNC(=O)NNC(=O)C(C)(C)c1ccc(OC(F)(F)F)cc1	789743978	LYDZDRONTOCDOX-UHFFFAOYSA-N	319.283	1.823	50	20	DDGD	
C[C@H]1CN2CCN1C[C@@H]2C(=O)NNc1ccc(Cl)cc1F	1124048494	MHJZIKSQXPLDFP-TVQRCGJNSA-N	312.776	1.311	50	20	DDGD	
C[C@]1(c2ccc(C(=O)N3CC=C(C#N)CC3)cc2)NC(=O)NC1=O	780688801	PDWYINVYFNSTNV-QGZVFWFLSA-N	324.340	1.037	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@@H]1CCCN1c1ccccc1	787879057	XQKBXKFSFFUGAE-NSHDSACASA-N	315.295	1.755	50	20	DDGD	
CCc1nnc(O)c(C(=O)NNc2ccnc(F)c2)c1CC	781359471	OPILEYMGYONUPV-UHFFFAOYSA-N	305.313	1.598	50	20	DDGD	
Cc1cnc2c(cnn2CC(=O)NNC(=O)CC2CCCC2)c1	893801618	JXKISPPIURDZKK-UHFFFAOYSA-N	315.377	1.467	50	20	DDGD	
Cc1cccc([C@H]2CCN(CC(=O)NNC(=O)C(C)(C)C)C2)c1	784478773	PJMOYFTYGIWLRI-HNNXBMFYSA-N	317.433	1.978	50	20	DDGD	
CCO[C@H](CCNS(=O)(=O)CBr)C(C)C	782464886	SPOGWWMZZYBZRR-SECBINFHSA-N	302.234	1.709	50	20	DDGD	
CC[C@@](O)(CC(=O)NNC(=S)NC(C)(C)C)c1ccccc1	899998894	YAUIEQMBJPIJQS-MRXNPFEDSA-N	323.462	1.968	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CCCc2cccnc21	799109759	LBOKXKYNPGBRRO-UHFFFAOYSA-N	302.378	1.543	50	20	DDGD	
C[C@H](NC(=O)NNc1nc2ccccn2n1)[C@H]1CCCOC1	790466650	YKFLQNTVABXYCC-QWRGUYRKSA-N	304.354	1.171	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)C2(O)CCCC2)c1	791273449	VWGSVZVLKXUESP-UHFFFAOYSA-N	306.366	1.528	50	20	DDGD	
C#Cc1cncc(C(=O)NNc2nc(-c3ccncc3)no2)c1	798167274	JXPBGUDTPVUJBL-UHFFFAOYSA-N	306.285	1.265	50	20	DDGD	
C[C@@H]1COCCC1=NNC(=O)C(=O)NCc1ccc(Cl)cc1	794525766	GLSFTSDZKSHVKO-SNVBAGLBSA-N	323.780	1.485	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCc3c(F)cc(F)cc32)CC1	790182136	SGXNEADBNZZWPP-UHFFFAOYSA-N	308.332	1.572	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C(=O)c2cc(F)ccc2C)n1	794086777	XCBZRXNRIVHSHS-UHFFFAOYSA-N	315.304	1.481	50	20	DDGD	
CCC[C@@]1(NCC(=O)NNC(=O)c2cccc(C)c2)CCOC1	796441314	BHPOODSGDIJVIT-QGZVFWFLSA-N	319.405	1.305	50	20	DDGD	
CC1(C)Cc2cc(C=NNC(=O)C[n+]3ccccc3)ccc2O1	794455923	GEDIUMRBIPMCGI-UHFFFAOYSA-O	310.377	1.838	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc(-n3cccn3)nc2)n1	794079992	FXTCCPGMFOWOEQ-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
CC(C)(C=NNC(=O)c1cccc(Cl)n1)S(C)(=O)=O	1328012141	HASKSFFJELRWOX-UHFFFAOYSA-N	303.771	1.274	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](C)n2ccnc2)c1C	1329381264	BOPDXKBGIDMBIL-LLVKDONJSA-N	302.334	1.682	50	20	DDGD	
CC(C)CN(CC(=O)NNc1ncccn1)C(=O)OC(C)(C)C	1323857272	ILADSUOLAJPUCD-UHFFFAOYSA-N	323.397	1.813	50	20	DDGD	
Cn1ccc(NNC(=O)CN(CC2CC2)C(=O)OC(C)(C)C)n1	1328772973	SIARJRYNSMVONN-UHFFFAOYSA-N	323.397	1.510	50	20	DDGD	
Nc1cnnc(NNC(=O)CCOCc2ccccc2)c1Cl	1333509367	QMMSICWYLUJELV-UHFFFAOYSA-N	321.768	1.762	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@]2(C)C[C@@H]2Br)C1	1334548380	GRUYNYLMJUUTDA-QYTUQVAYSA-N	317.227	1.581	50	20	DDGD	
COCCOc1ccc(C=NNC(=O)C2CCOCC2)cc1	1331994137	LLTWQGZAJCBUNA-UHFFFAOYSA-N	306.362	1.589	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ncoc1[C@H]1CCCO1	1339125916	FBILQPDUJXOTCG-GFCCVEGCSA-N	315.329	1.909	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1	1337319739	VKYSOQXRMZMJQU-JIMOISOXSA-N	314.332	1.735	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2CCCN2CC(C)C)n1	1335838689	DQMTZQIHLOQFPE-LBPRGKRZSA-N	307.398	1.357	50	20	DDGD	
C[C@@H](O)CN1CCN(C(=O)c2cccc(CCl)c2)[C@H](C)C1	1337228967	MIZJQWAVFRVMRP-CHWSQXEVSA-N	310.825	1.953	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)nn1	1338784784	FTILGONVECULEC-WDEREUQCSA-N	319.409	1.509	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@@H]2F)cc1F	1349797366	DNCGLUAEPOOQGC-SFYZADRCSA-N	301.318	1.510	50	20	DDGD	
CC[C@@H](F)C(=O)NNc1ccccc1S(=O)(=O)N(C)C	1358265844	XCLCRMGELAFTIG-SECBINFHSA-N	303.359	1.128	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc2C1)c1ccccc1O	17575927	RUHZRBKNMLCBRO-LBPRGKRZSA-N	312.325	1.405	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2cccn2[C@@H](C)C(=O)O)c(O)c1	1600341736	YEGSLNBVYLMTTM-NSHDSACASA-N	315.329	1.912	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1604401611	FVYKUNPGXFPSBA-QMMMGPOBSA-N	323.357	1.236	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CCc3c[nH]nc3C2)cc1C(=O)O	1600462141	DYYCRQDVKCOQNF-SNVBAGLBSA-N	314.345	1.665	50	20	DDGD	
O=C(O)[C@]1(C(=O)NNc2nc3cccnc3s2)CC=CCC1	1605936010	XBEANUQFFLMBAB-CQSZACIVSA-N	318.358	1.946	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@H]2CCCc3n[nH]cc32)c1F	1602448042	LAMTZEXNMDCTPY-QMMMGPOBSA-N	318.308	1.810	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(C(=O)O)cc1F)c1ncn(C)n1	1604292649	XKYAFHZIUBTRKQ-SSDOTTSWSA-N	322.300	1.040	50	20	DDGD	
C[C@H](CBr)COC(=O)c1ccc(C(=O)O)n1C	1609725702	NEXVBJVPXFGZGO-SSDOTTSWSA-N	304.140	1.911	50	20	DDGD	
O=C(O)c1cncc(C(=O)NNc2cc(F)c(F)cc2F)c1	1602535354	FSGBSPFGRWURJZ-UHFFFAOYSA-N	311.219	1.954	50	20	DDGD	
Cc1c(NNC(=O)c2c3c(nn2C)CCC3)cccc1C(=O)O	1607552662	RNNUIGMABZOQNF-UHFFFAOYSA-N	314.345	1.672	50	20	DDGD	
C[C@H](NC(=O)NNc1ccccn1)c1ccc(-c2nn[nH]n2)cc1	1603631242	IYMINVLWDORVKW-JTQLQIEISA-N	324.348	1.649	50	20	DDGD	
CSCCCC=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1609370987	LGCHGVBYNJMTIX-UHFFFAOYSA-N	304.379	1.726	50	20	DDGD	
CC(CCC(F)(F)F)=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549321886	VUIVQYBAPQGQCI-QWRGUYRKSA-N	307.316	1.684	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(C(=O)O)n1C	1610306454	BQXBGKRQKBDJEN-UHFFFAOYSA-N	320.257	1.859	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCOC)C2	1800070920	YSVKIYGNAOODSS-YVECIDJPSA-N	316.829	1.679	50	20	DDGD	
Cn1ncnc1C=NNC(=O)[C@H]1CCCO[C@@H]1c1ccccc1	1549084687	UMMLWHCCJMUUOG-DZGCQCFKSA-N	313.361	1.433	50	20	DDGD	
CC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc[nH]1)C2	1800069594	HXXKSOGMBSFAEP-USZNOCQGSA-N	324.812	1.679	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2ccc(N)cn2)ccc1C	1578860569	XAMRJZPXVQBBAU-UHFFFAOYSA-N	300.318	1.516	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)CCNC2CC2)cc1	1579735462	MYLJGGIUFYJCJW-UHFFFAOYSA-N	307.419	1.377	50	20	DDGD	
CC(C)(C)OC(=O)NCc1nc2ccccc2n1CC(=O)NN	1575230549	DELADWZYXHPXAG-UHFFFAOYSA-N	319.365	1.051	50	20	DDGD	
COc1ccc(Br)c(NNC(=O)C[C@H](C)N)c1	1579185595	JFDXUCHRVCGFGX-ZETCQYMHSA-N	302.172	1.638	50	20	DDGD	
CC(=NNC(=O)OC(C)(C)C)c1cc(-c2nn[nH]n2)ccn1	1588775973	UZZBZPOYPSCDKI-UHFFFAOYSA-N	303.326	1.510	50	20	DDGD	
CC(=O)C(=O)N1CC2(CCCN2C(=O)C(C)(C)CCl)C1	1841225896	WBGYWWLGQJXCAW-UHFFFAOYSA-N	300.786	1.044	50	20	DDGD	
CC(=NNC(=O)c1c[nH]nc1C)c1ccc(C(=O)O)cc1C	1589012309	HJPFJIGOQLMUDE-UHFFFAOYSA-N	300.318	1.879	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NN=Cc2ccc(-c3nn[nH]n3)cc2F)O1	1591735162	KSQBXVJUWGAJFV-PRHODGIISA-N	318.312	1.023	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1cccc(-c2nn[nH]n2)n1	1591043948	LYUVLTOBBHNWSJ-UHFFFAOYSA-N	301.137	1.137	50	20	DDGD	
CN(C)N(C(=O)c1cncc(F)c1)c1nc(CC(=O)O)cs1	1598257810	SZWZLQOVHRTGJP-UHFFFAOYSA-N	324.337	1.428	50	20	DDGD	
CCC(CC)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1590430181	INMCMFDMQVZDEW-UHFFFAOYSA-N	302.338	1.064	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1[N+](=O)[O-]	1776116170	SRIGMULTSXAPEA-IZZDOVSWSA-N	320.257	1.390	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NN=Cc1cccc(OCC(=O)O)c1	1776102567	SOWKFIXQGILPAB-OLZOCXBDSA-N	306.318	1.025	50	20	DDGD	
C[C@@H]1C(=NNC(=O)c2cccnn2)CC[C@H](C(=O)O)C1(C)C	1776103342	DRYPTHGAEJKQNH-NXEZZACHSA-N	304.350	1.719	50	20	DDGD	
CC(=NNC(=O)C[N+](C)(C)C)c1cccc(O[C@H](C)C(=O)O)c1	1776011852	UEPBNINDZIDCQZ-GFCCVEGCSA-O	322.385	1.085	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(F)cc1F)c1ccccc1	16123688	BXHGWAMIGOIFIX-UHFFFAOYSA-N	312.297	1.588	50	20	DDGD	
O=C(Cn1cc(C2CC2)nn1)NNc1ccc([N+](=O)[O-])cc1	150886253	RRDCVRHTKUSPBM-UHFFFAOYSA-N	302.294	1.207	50	20	DDGD	
Cc1nc(C)n(-c2ccccc2NC(=O)NNc2ncccn2)n1	163201149	MQASSKAIVNBSLJ-UHFFFAOYSA-N	324.348	1.823	50	20	DDGD	
CNC(=O)NNC(=O)c1c(-n2cccc2)sc2c1CCC2	159479949	JYALSLPQUPLTEG-UHFFFAOYSA-N	304.375	1.601	50	20	DDGD	
O=S(=O)(CCCCl)NCc1nccc(C(F)(F)F)n1	882260383	WVPAKGVFPVSYPJ-UHFFFAOYSA-N	317.720	1.544	50	20	DDGD	
CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(B(O)O)cc1	584941326	BBYMLUWQAPUDSJ-CQSZACIVSA-N	311.190	1.807	50	20	DDGD	
CC(C)CNC(=O)[C@H](C)N(C)NC(=O)OCc1ccccc1	859389075	AJKXRFFRQQODIM-ZDUSSCGKSA-N	307.394	1.920	50	20	DDGD	
Cc1cnn(CCC(=O)NNC(=O)c2cccc3ncccc23)c1	106811763	KDCJBQGJLPWWCY-UHFFFAOYSA-N	323.356	1.591	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cnn(CC)c1)c1ccccc1	114274471	ZKIRCSJYZXMGBT-CQSZACIVSA-N	300.362	1.858	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccccc1	172134648	SIEWAPJBGLIKKB-BARDWOONSA-N	302.374	1.895	50	20	DDGD	
COCc1ccccc1C(=O)NNC(=O)CNc1ccccc1	104831403	NYFRJPYBXHCQGZ-UHFFFAOYSA-N	313.357	1.706	50	20	DDGD	
Cc1cc(-n2cncn2)ccc1C(=O)NNC(=O)C(C)(C)C	173110777	QVIMTVUUWSUOAW-UHFFFAOYSA-N	301.350	1.383	50	20	DDGD	
CCCCN(C)CCNC(=O)NNC(=O)c1cccc(C#N)c1	112465451	WMBROVOKYFHXJY-UHFFFAOYSA-N	317.393	1.234	50	20	DDGD	
COc1ccc(CCC(=O)NNc2cnccn2)cc1OC	114880486	RSLBBHCTPJGBNQ-UHFFFAOYSA-N	302.334	1.570	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccc(F)cc1)c1ccccc1	60934817	AQPMMTQTKTXMII-UHFFFAOYSA-N	301.321	1.723	50	20	DDGD	
CCOC(=O)NNC(=O)CCC(=O)c1ccc(OCC)cc1	21771333	LAEJHBZGULQYFM-UHFFFAOYSA-N	308.334	1.826	50	20	DDGD	
C[C@H](O)CC(C)(C)CNC(=O)NNC(=O)CCc1ccccc1	175561286	OZRGHNLSLRTAJG-ZDUSSCGKSA-N	321.421	1.747	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)Cc1ccccc1F)c1ccccc1	66784421	SIUKRCPFISFKSX-MRXNPFEDSA-N	316.332	1.903	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccc[nH]1)c1nc(C(C)(C)C)no1	173530992	FFFVUTDKEOMGQR-MRVPVSSYSA-N	320.353	1.400	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCc1ccco1	67455163	PSSURYDQYFQFQC-UHFFFAOYSA-N	303.318	1.475	50	20	DDGD	
O=C(Cc1cccc(C(F)(F)F)c1)NNC(=O)NCC1CC1	65197887	JLTMWFXWTDYLHO-UHFFFAOYSA-N	315.295	1.988	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@@H]1CCO[C@H]1C1CC1	1344356631	GKEXKYTUWOUGSQ-ZBFHGGJFSA-N	317.389	1.435	50	20	DDGD	
CSC[C@@H](C)C(=O)NNC(=O)c1ccc2ccccc2n1	66814949	HQPXHHYYJVULEF-SNVBAGLBSA-N	303.387	1.995	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@@H]1CCCc2ccccc21	125139581	ZKLUTBYMMCWNFC-KGLIPLIRSA-N	303.362	1.573	50	20	DDGD	
CCCCn1cc(C(=O)NNc2ncnc3nc[nH]c23)c(C)n1	184476364	JFRGPDTZNRFPHR-UHFFFAOYSA-N	314.353	1.415	50	20	DDGD	
C=CCCOCCNC(=O)NNC(=O)c1cccc(N(C)C)c1	127010393	DCQSGIWCUJUDEA-UHFFFAOYSA-N	320.393	1.289	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)N(C)C)C(=O)c1ccc(Cl)cc1	181492566	FGNTZHCFOJRHOL-VIFPVBQESA-N	311.769	1.851	50	20	DDGD	
CCS(=O)(=O)C[C@H](C)NC(=O)NNc1cccc(C#N)c1	72684467	TXFRFUZTFZSVCE-JTQLQIEISA-N	310.379	1.008	50	20	DDGD	
CC(C)(C)CCS(=O)(=O)NNC(=O)c1ccccc1F	75093698	SGWNXCGRZBDBPD-UHFFFAOYSA-N	302.371	1.826	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1ccccc1OCC(N)=O	184365274	QLVNMTPIWMKUQB-UHFFFAOYSA-N	317.320	1.755	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)c2ccccc2O)s1	45679031	SXZWMMUDAUIHQA-UHFFFAOYSA-N	305.359	1.906	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCCCC1CCCC1	83172821	FABLCLNKWFEIBO-UHFFFAOYSA-N	304.394	1.925	50	20	DDGD	
CCCC[C@@H](COC)NC(=O)NNC(=O)c1cccc(C#N)c1	132132597	MTVRXRPAJNKPQH-AWEZNQCLSA-N	318.377	1.707	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cnn(-c2ccc(F)cc2)n1	131064229	CGEPMEPNKTZDDI-UHFFFAOYSA-N	319.340	1.604	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NCC(F)(F)F	46916745	QLGSBGUUFJYYEU-SSDOTTSWSA-N	323.246	1.486	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2CCCc3cccnc32)n1	192671866	MBHRCZKZBKDEEO-LBPRGKRZSA-N	313.361	1.752	50	20	DDGD	
O=C(CCSc1ccccn1)NNC(=O)NC1CCCC1	87207936	UOBYJSZLKBCODP-UHFFFAOYSA-N	308.407	1.837	50	20	DDGD	
C=CCNC(=S)NNC(=O)CSCc1cccc(C)c1	41961086	YVUOMVLOPVOGNS-UHFFFAOYSA-N	309.460	1.910	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)c1ccc(C)o1)c1ccccc1	84153925	XAFCUMRYYYFUAW-AWEZNQCLSA-N	317.345	1.920	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cc1noc2ccccc12)C1CC1	83678496	MDNODRVEDMFFSJ-VIFPVBQESA-N	318.402	1.664	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCc2ncoc2C)c1	92458159	YNHSUEUMCWDKQU-UHFFFAOYSA-N	318.333	1.201	50	20	DDGD	
Cn1c(=NNC(=O)CNC(=O)C(C)(C)C)sc2ccccc21	255181136	CGZUKMGQLOEKHZ-UHFFFAOYSA-N	320.418	1.334	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@H]1CCOc2ccc(F)cc21	264821692	YARHYGFFNNOYML-LBPRGKRZSA-N	307.325	1.780	50	20	DDGD	
CS[C@H](C)CNC(=O)NNC(=O)COc1ccc(F)cc1	269841123	BUYGBRYCAICWLA-SECBINFHSA-N	315.370	1.286	50	20	DDGD	
CC(C)n1nccc1C(=O)NNC(=O)COc1ccc(F)cc1	268726950	RHDZPPOMXZOGSG-UHFFFAOYSA-N	320.324	1.443	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCC(=O)OC(C)(C)C)n1	266446175	ARGHBQQJQYJRNX-UHFFFAOYSA-N	309.370	1.451	50	20	DDGD	
Cc1c(C(=O)NNc2nc(C(F)(F)F)cs2)nnn1C	268034893	QAYSHSNXLYBNDG-UHFFFAOYSA-N	306.273	1.356	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H](CC)Oc1ccccc1F	267386692	WCERGLPKKACQPO-LLVKDONJSA-N	311.382	1.664	50	20	DDGD	
COc1cccc(-c2cc(C(=O)NNC(=O)C3CC3)[nH]n2)c1	268707656	IQLKFZHNFWOBFT-UHFFFAOYSA-N	300.318	1.256	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2c(C)c(C)nn2C)cc1	275626647	IPIPYXXDEGBWGZ-UHFFFAOYSA-N	317.349	1.127	50	20	DDGD	
COC(=O)[C@H]1CCC[C@@H](C(=O)NNc2cccc(OC)n2)C1	272538031	OMKSEUIAWDISQC-MNOVXSKESA-N	307.350	1.513	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H](C)C[S@@](C)=O)cccc1[N+](=O)[O-]	273355586	CQMMANFKQYDQLV-HXNGOWOSSA-N	314.367	1.296	50	20	DDGD	
CC(C)(C)OC(=O)C(=O)NNc1nc(O)c2ccccc2n1	274123581	ZEXOUUZRYMSQEU-UHFFFAOYSA-N	304.306	1.120	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2cccc([N+](=O)[O-])c2)[C@H]1OC	275330016	UBUGJGAZUIAPOS-JHJVBQTASA-N	324.337	1.413	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(COC(C)(C)C)on2)n1	274771437	CWIPYQLNJPUFCJ-UHFFFAOYSA-N	321.337	1.545	50	20	DDGD	
COC(=O)CCCC(=O)NNc1nnc(-c2ccccn2)s1	276684676	WPJSOEVIGHCHGK-UHFFFAOYSA-N	321.362	1.387	50	20	DDGD	
CC(C)OCCCC(=O)NNc1ccc(-n2ccnc2)nn1	278604631	LJXHYDDICQCSKB-UHFFFAOYSA-N	304.354	1.311	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1	274362850	UNKMCADZQCQNES-IUCAKERBSA-N	315.295	1.946	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H]2CCc3[nH]ncc3C2)n1	270199307	DYCGQAXPZIZXJE-MRVPVSSYSA-N	306.757	1.410	50	20	DDGD	
CC(=O)NCCCCCC(=O)NNC(=O)c1ccccc1C	279213174	MNGNTRJMSHKRSP-UHFFFAOYSA-N	305.378	1.453	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](OC)c2cnn(C)c2)c1	282221911	GWPCXJSEALWBCU-CYBMUJFWSA-N	318.333	1.038	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)C1CCC(O)CC1	281416819	CWGDONGQLFBDIX-UHFFFAOYSA-N	324.402	1.183	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@@H]1COCCN1C1CCCC1	286379849	FTKMLJOFXDPACM-LBPRGKRZSA-N	308.357	1.307	50	20	DDGD	
CCc1csc(CC(=O)NNC(=O)NC2CCCCC2)n1	282677846	JLKMMJSKGWAXTD-UHFFFAOYSA-N	310.423	1.911	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1snnc1C1CC1	289564506	PXCQWOXIGYRKEI-UHFFFAOYSA-N	302.359	1.799	50	20	DDGD	
CSSCCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1	375174892	PRCYCRKFKROXHC-QWRGUYRKSA-N	305.469	1.160	50	20	DDGD	
CC[C@@H]1CCC[C@H]1NC(=O)NNc1ccc(-n2ccnc2)nn1	287172192	SRHWRAYJSBOBHU-VXGBXAGGSA-N	315.381	1.867	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)C1(Cc2ccccc2)CC1	280883706	CONAZYLMDLBGJJ-UHFFFAOYSA-N	315.295	1.902	50	20	DDGD	
C[S@](=O)C1(CNC(=O)NNc2c(F)cccc2F)CC1	282020641	SEIBPEQMSFENPN-FQEVSTJZSA-N	303.334	1.502	50	20	DDGD	
O=C(NNC(=O)c1cccc(C2CCC2)c1)C(=O)N1CCCC1	281535489	IKULDQFOWWKRGI-UHFFFAOYSA-N	315.373	1.338	50	20	DDGD	
CC(C)CC(=O)NCCC(=O)NNC(=O)Nc1ccccc1	283775659	QHBHKFKFSQATMX-UHFFFAOYSA-N	306.366	1.392	50	20	DDGD	
CCOc1cc(C(=O)NNC(=O)CCCc2ccccc2)on1	294644856	QVBDADPBINCGBS-UHFFFAOYSA-N	317.345	1.857	50	20	DDGD	
CCN(C(=O)NCCSSC)[C@@H]1CCS(=O)(=O)C1	807225876	NLEJVUWUZRLUAU-SECBINFHSA-N	312.482	1.216	50	20	DDGD	
COCCN(C)NC(=O)CCc1ccc(OC)c(Cl)c1	297212689	WZMUUMNIHDWBEL-UHFFFAOYSA-N	300.786	1.891	50	20	DDGD	
CC(C)NC(=O)CCCC(=O)NNc1nccnc1C1CCC1	805464797	GSQQRKMRTHYENZ-UHFFFAOYSA-N	319.409	1.882	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCc1cncn1C)c1ccccc1	291833763	ITQJWUUXJXTJHQ-AWEZNQCLSA-N	315.377	1.444	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cccnc2C(F)(F)F)O1	293913035	MLUSILKXJUVMEL-CBAPKCEASA-N	317.267	1.429	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CCOCC(F)F)cc1	802053527	UWNIUCJGPDMVKL-UHFFFAOYSA-N	317.292	1.520	50	20	DDGD	
CC[C@H](C)[C@H](CNC(=O)NNC(=O)Cc1cccnc1)OC	296276292	HXHJNEMYEWSBTI-AAEUAGOBSA-N	308.382	1.016	50	20	DDGD	
CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)NNc1ccncn1	295527960	RAQIGBQIWJHGGH-OAHLLOKOSA-N	323.397	1.861	50	20	DDGD	
O=C(NNc1nnc[nH]1)[C@@H](c1ccccc1)N1CCSCC1	293890245	KHZRJFGBCUFURA-GFCCVEGCSA-N	318.406	1.038	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccoc2CC(N)=O)cc1Cl	803102730	LKVODCWGNSYGJE-UHFFFAOYSA-N	318.720	1.589	50	20	DDGD	
Cc1[nH]c(C=NNC(=O)c2ccc(O)c(O)c2)cc1C(=O)O	800817015	HKKPBYYPYFLWQG-UHFFFAOYSA-N	303.274	1.196	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CCc2cscn2)c1	299268895	IGUYJZTUKFZMJF-UHFFFAOYSA-N	319.386	1.611	50	20	DDGD	
C[C@H](NC(=O)C(C)(C)C)C(=O)NNc1ncc(F)cc1F	296893640	ISMZISHUFFFAQZ-ZETCQYMHSA-N	300.309	1.354	50	20	DDGD	
Cc1ccc2c(c1)[C@@H](NC(=O)NNC(=O)[C@@H]1CCCO1)[C@H](C)C2	292449680	XWQJLVMMUYKXSN-UGFHNGPFSA-N	317.389	1.738	50	20	DDGD	
CC(C)(Oc1ccc(C#N)cc1)C(=O)NNC(=O)[C@@H]1CCCO1	293954302	JFZAUSHGPDVKEP-ZDUSSCGKSA-N	317.345	1.042	50	20	DDGD	
CC[C@@H](C)[C@H](C)NC(=O)NNC(=O)COc1ccccc1OC	299160519	KECZSAZQHYFIEQ-NEPJUHHUSA-N	323.393	1.839	50	20	DDGD	
C[C@H](NC(=O)c1cccs1)C(=O)NNc1cccc(F)n1	804767355	JDHIRAHMDWQNOT-QMMMGPOBSA-N	308.338	1.544	50	20	DDGD	
C[C@H](Cc1ccc(F)cc1)C(=O)NNC(=O)N=c1cc[nH]cc1	802028472	YRQLVOIULZIJME-LLVKDONJSA-N	316.336	1.674	50	20	DDGD	
Cc1nnc(NNC(=O)c2c[nH]nc2-c2ccccc2)nc1O	817284365	PELWVXGETKBZCJ-UHFFFAOYSA-N	311.305	1.033	50	20	DDGD	
CO[C@H](C)[C@@H](C)NC(=O)NNC(=O)c1c(C)nc2ccccn12	811851960	ZIFMPBJOTHRUNB-MWLCHTKSSA-N	319.365	1.010	50	20	DDGD	
C[C@]1(CNC(=O)NNc2ncncc2F)CCO[C@@H]1C1CC1	814320837	GSQQUCXTCBZHLS-BXUZGUMPSA-N	309.345	1.447	50	20	DDGD	
CCn1ccnc1C(=O)NNC(=O)NCCc1cccs1	813423847	AMWPLPWDJXZAPD-UHFFFAOYSA-N	307.379	1.151	50	20	DDGD	
CC(C)(CCNC(=O)NNc1ccc(Cl)nc1)C(=O)O	818624240	QUCKFLIYHJOPET-UHFFFAOYSA-N	300.746	1.862	50	20	DDGD	
Cn1c(N)nc(Cl)c1C=NNC(=O)c1ccc(Cl)nc1	814810109	YQVVGJACKUXDOB-UHFFFAOYSA-N	313.148	1.468	50	20	DDGD	
COCCCNC(=O)NN=C1CC[C@H](C(=O)O)C(C)(C)[C@H]1C	814820139	YFUBAKKMYGPBPG-WDEREUQCSA-N	313.398	1.835	50	20	DDGD	
CN(C)CCOc1ccc(/C=C/C(=O)NN(C)C2CC2)cc1	819649913	NNKVPNYOJBEDBZ-IZZDOVSWSA-N	303.406	1.766	50	20	DDGD	
CCc1nn(C)c(OC)c1C=NNC(=O)Cc1nc(C)cs1	814779934	VMKXJEGTLAHOBO-UHFFFAOYSA-N	321.406	1.449	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1nccc2ccccc12	811647611	SXBFEDPYUNGQSM-UHFFFAOYSA-N	300.318	1.431	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NN=Cc2c(C)nn(C)c2N)c1	814719171	BXTFNKPJJYNBLH-UHFFFAOYSA-N	315.377	1.457	50	20	DDGD	
O=C(CSC1CCC1)NNC(=O)c1cccc([N+](=O)[O-])c1	829763577	OASVJUXYPYJXEV-UHFFFAOYSA-N	309.347	1.642	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2nc[nH]c2C(F)(F)F)n1	820523413	KKAWOUSTLMAKTB-UHFFFAOYSA-N	300.244	1.592	50	20	DDGD	
Cc1cn2ccc(NC(=O)NNC(=O)C3CCCC3)cc2n1	825911453	VMXXZEHIJCJALN-UHFFFAOYSA-N	301.350	1.986	50	20	DDGD	
C[C@@H]1CCCC1=NNC(=O)C1CCN(c2ncccn2)CC1	729145206	KFBCQBWBDSBLQP-GFCCVEGCSA-N	301.394	1.985	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2cccc(Br)n2)CO1	828439040	CGSNZLJEYFOJQB-JGVFFNPUSA-N	315.171	1.648	50	20	DDGD	
Cc1ncsc1/C=C\C(=O)NNC(=O)Cc1cccnc1	492649524	MEUHTNKIUHEILS-PLNGDYQASA-N	302.359	1.250	50	20	DDGD	
Cc1ccccc1CN(C)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	827314573	GINDDKLXHWOYEI-TZMCWYRMSA-N	305.378	1.593	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1	823763351	UGZMBOHUAKQNNE-UONOGXRCSA-N	305.378	1.929	50	20	DDGD	
COC(=O)NNC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1	495407289	JYGXOHAMCOVKJR-UHFFFAOYSA-N	317.132	1.571	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H]2CCCCN(C)C2=O)c1	821169646	ZHGFVJOGMDAXCJ-CYBMUJFWSA-N	309.341	1.536	50	20	DDGD	
CC(C)(O)CCC(=O)NNC(=S)NCCc1cccs1	820171214	IUGLADFOEMWSAP-UHFFFAOYSA-N	315.464	1.337	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCN(CCC#N)CC1	827483066	BQMQJOLAKWMQPR-UHFFFAOYSA-N	323.828	1.410	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)CCc2ccc(OC)cc2)cn1	728816290	IEPVKISNMVVAPV-UHFFFAOYSA-N	323.352	1.465	50	20	DDGD	
CC[C@@](C)(O)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	829002643	BHEHMTRTNCDISP-CQSZACIVSA-N	310.423	1.231	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc3n(n2)CCCC3)c(O)c1	825503538	APHWGCGWZVRHII-UHFFFAOYSA-N	314.345	1.308	50	20	DDGD	
Cn1cccc1C(=O)NNC(=S)Nc1ccc(Cl)nc1	727069828	KKNVGPRWSKOPNO-UHFFFAOYSA-N	309.782	1.705	50	20	DDGD	
CCOC(=O)NNC(=O)c1c[nH]c2c(C)cc(C)cc2c1=O	495562230	CDUYIJPFXAAWJO-UHFFFAOYSA-N	303.318	1.536	50	20	DDGD	
COc1ccc(C=NNC(=O)CNC(=O)OC(C)(C)C)cc1C	494725832	KMFCCPJNMDZKIH-UHFFFAOYSA-N	321.377	1.978	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1	823865352	OFVGJHCDVMFXCV-UHFFFAOYSA-N	315.377	1.308	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CC[C@@H]3OCC[C@@H]3C2)cc(C#N)n1C	491050610	QABRMFWOTNGRMF-TWAGKCLXSA-N	324.384	1.750	50	20	DDGD	
OB(O)c1ccccc1CNCCc1nc2c(s1)CCCC2	585031533	GPZKYZKPMUDYFW-UHFFFAOYSA-N	316.235	1.034	50	20	DDGD	
COc1ccc(Br)c(C(=O)NN(C)[C@H](C)CO)c1	823986915	BUWPYUUCXSMLOV-MRVPVSSYSA-N	317.183	1.415	50	20	DDGD	
CCN(CCO)NC(=O)c1cn(-c2cccc(F)c2)nc1C	823893230	AESIHJQMAYSQRO-UHFFFAOYSA-N	306.341	1.279	50	20	DDGD	
COc1ccc2c(c1)C[C@@H](C)CC2=NNC(=O)[C@@H]1CCC(=O)N1	905489482	WCWPUDRGZFHFGS-YGRLFVJLSA-N	315.373	1.376	50	20	DDGD	
CN(C)[C@H](C(=O)NNC(=O)C1CCC1)c1cccc(Cl)c1	732292192	JMTLNNPVSGVTSV-ZDUSSCGKSA-N	309.797	1.890	50	20	DDGD	
CC(=NNC(=O)NCC(F)(F)F)c1ccc(C(=O)O)cc1	825798665	RAUHLIBSIJODPH-UHFFFAOYSA-N	303.240	1.970	50	20	DDGD	
C[C@H](C=NNC(=O)Cc1cc[nH]n1)CNC(=O)OC(C)(C)C	496696740	AOJJMXMZBCSEEQ-JTQLQIEISA-N	309.370	1.215	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCC[C@H](Nc2ccccc2)C1	584966347	XVYKXXGJIJIESC-KRWDZBQOSA-N	324.189	1.083	50	20	DDGD	
O=C(CCCC[C@H]1CCSS1)N1CC[C@@H](B(O)O)C1	585073965	GXCWJCCNLRQABR-MNOVXSKESA-N	303.258	1.776	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)/C(C#N)=C/c2ccc(F)cc2)n1	490697938	RDLQOMYPTVVNPT-UKTHLTGXSA-N	324.315	1.897	50	20	DDGD	
COCC[C@H](C)NC(=O)NNC(=O)Nc1ccc(OC)cc1	836268850	WRCUKCBFGQIQQU-JTQLQIEISA-N	310.354	1.456	50	20	DDGD	
CC(C)C(=O)NCCN(C)C(=O)[C@]1(C)C[C@@H]1Br	907187784	NFMRQSCJXONXOI-JOYOIKCWSA-N	305.216	1.391	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)[C@H]2CCCCO2)CCc2ccccc2C1	833246700	PVLHJKMMRQWMHC-QAPCUYQASA-N	316.401	1.898	50	20	DDGD	
COc1cc(/C=C(\C#N)C(=O)N=c2cc[nH]cc2)ccc1[N+](=O)[O-]	490811726	HFFJJHCCBOOAPL-XYOKQWHBSA-N	324.296	1.966	50	20	DDGD	
C[C@H](NCc1ccccc1B(O)O)c1nc2c(s1)CCCC2	585025122	MIJQDDIVJJIGGJ-NSHDSACASA-N	316.235	1.553	50	20	DDGD	
O=C(NNc1ccc(Br)cc1F)[C@H](O)C1CC1	830782237	QJGNVUIOGTWZHR-SNVBAGLBSA-N	303.131	1.802	50	20	DDGD	
CN1C(=O)CCC[C@H]1C(=O)NNC(=O)Cc1ccc(Cl)cc1	905200388	VVBWQUOEWHCLAN-LBPRGKRZSA-N	323.780	1.041	50	20	DDGD	
OB(O)c1ccccc1CNCCCSc1ccccc1	585015191	SBPMYBGCTKOKLH-UHFFFAOYSA-N	301.220	1.638	50	20	DDGD	
CC[C@@H](C(=O)NNC(=S)NCCCC(=O)O)c1ccccc1	736850949	YYVFMRWNFJXZLY-GFCCVEGCSA-N	323.418	1.540	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1c2c(nn1C)CCC2	907782864	NKYARRBEGLVGGH-UHFFFAOYSA-N	300.366	1.579	50	20	DDGD	
CC[C@@](C)(NC(=O)c1ccc(B(O)O)cc1)c1nc(C)cs1	584951997	QQFUNBYXIJCJMD-OAHLLOKOSA-N	318.207	1.187	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CC2(CCCC2)c2ccccc21	584959912	FMNUUJMBKZVQGI-UHFFFAOYSA-N	321.185	1.839	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1	831900239	RLXZBWBACFKDFV-NSHDSACASA-N	304.350	1.025	50	20	DDGD	
CO[C@@H](CNCc1ccc(B(O)O)cc1)c1ccc(Cl)cc1	585026994	MKAMLCLIQPLXSO-INIZCTEOSA-N	319.597	1.497	50	20	DDGD	
C[C@H]1CCCCN1CCCCNC(=O)NNC(=O)C1CCC1	732240824	MDHFXWKRMUGRFP-ZDUSSCGKSA-N	310.442	1.772	50	20	DDGD	
COc1cccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)n1	832524041	PECQKLJFBSKEBI-UHFFFAOYSA-N	318.241	1.916	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)COc2cccc(C=O)c2)c1	733259948	UWPRBOZDEPFQMZ-UHFFFAOYSA-N	323.308	1.211	50	20	DDGD	
COC(=O)c1cncc(C(=O)NNc2ccccc2C(=O)O)c1	833717389	JZQYQNKRPPDSDL-UHFFFAOYSA-N	315.285	1.323	50	20	DDGD	
CC[C@H]1CCC[C@@H]1C(=O)NNc1ccc(-n2ccnc2)nn1	830423478	SHRFCOYADCVNPB-RYUDHWBXSA-N	300.366	1.932	50	20	DDGD	
C[C@@H](CCc1ccc(F)cc1)C(=O)NNC(=O)c1ncon1	832830907	WNNUUGDXCHGHKC-VIFPVBQESA-N	306.297	1.239	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)[C@H]1CCc2ccccc2C1	914383780	CQOPFVAABAARPW-ZDUSSCGKSA-N	311.407	1.040	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1F	831682736	IGAZTAQIRVVVDB-BDAKNGLRSA-N	311.313	1.412	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C(F)(F)C(F)F)cc1C	749330800	VZXHJRCOFIWTPV-UHFFFAOYSA-N	322.258	1.730	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1[N+](=O)[O-])c1cccnc1	916321870	FKTITQBUDVLENS-UHFFFAOYSA-N	314.301	1.909	50	20	DDGD	
O=C(Cc1csc(N2CCOCC2)n1)NN=Cc1cc[nH]c1	745198023	DAPLTVUTVGZSHC-UHFFFAOYSA-N	319.390	1.001	50	20	DDGD	
O=C(NCCNC1CC1)[C@@]12CC[C@@H](C[C@@H]1Br)C2	846665486	KXFCGFIPKLHEKR-XHVZSJERSA-N	301.228	1.808	50	20	DDGD	
COc1ccc(C=NNC(=O)NCC(F)(F)F)c(OC)c1	917553065	DDZLTMXJYUOIEI-UHFFFAOYSA-N	305.256	1.899	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)N[C@H]1CC=CCC1	847322043	IRFLWSVPPLCPOQ-VIFPVBQESA-N	312.171	1.974	50	20	DDGD	
Cc1csc(NC(=O)NNC(=O)[C@H]2CCCCO2)c1C#N	847186232	SQKAEZKEZCZZIB-SNVBAGLBSA-N	308.363	1.650	50	20	DDGD	
Cc1cc(C(=O)NN(C)C[C@H](C)O)c(C)n1-c1ccccn1	910172324	AWJNAJJIBIOPIG-LBPRGKRZSA-N	302.378	1.447	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843662978	UQELKFOJHLBFHE-YFKTTZPYSA-N	308.403	1.732	50	20	DDGD	
COC(=O)COc1c(C)cc(/C=C(\C#N)S(C)(=O)=O)cc1C	746341569	CEZXAZUKUWYJDU-NTUHNPAUSA-N	323.370	1.764	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccccc1Oc1cnn(C)c1	910157576	QZWHIJIMGFNROF-LLVKDONJSA-N	304.350	1.170	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@](C)(O)Cc2ccccc2)n1	841470951	HRYYNFZCXFEWAB-HNNXBMFYSA-N	320.780	1.875	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H](C)Cc1ccc(C#N)cc1	847393038	HJJSUMQKEFVFGM-LBPRGKRZSA-N	318.377	1.104	50	20	DDGD	
C[C@H]1CC(C)(C)CCC1=NNC(=O)[C@H]1CCS(=O)(=O)C1	748250520	OBXUWKHQQIOIHZ-QWRGUYRKSA-N	300.424	1.740	50	20	DDGD	
COc1ccc(C(=O)NNc2ccnc(N(C)C)n2)cc1F	740102778	NKVHETNFJQATKG-UHFFFAOYSA-N	305.313	1.447	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cc1cccc(C(F)F)c1	843653036	CZFNZZCIINOERQ-JOYOIKCWSA-N	312.316	1.739	50	20	DDGD	
COc1cc(C(=O)NNC(=O)N(C)C)ccc1OC1CCCC1	746001663	RLLIUOSJJXCHGT-UHFFFAOYSA-N	321.377	1.933	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCSc2ccccc21	843652504	JSUXZMQNWCRTBV-GMXVVIOVSA-N	320.414	1.838	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(Oc2cccc(F)c2)cn1	910148347	APVRZFQMCPGZPV-NSHDSACASA-N	319.336	1.970	50	20	DDGD	
NC[C@H]1CC[C@@H](NC(=O)NNC(=O)CCCc2ccccc2)C1	842009711	GHJHZWKUXADCOG-LSDHHAIUSA-N	318.421	1.467	50	20	DDGD	
N#CCOc1ccccc1C(=O)NNC(=O)c1ccccc1F	919805997	IMQNAPYWVBBQLV-UHFFFAOYSA-N	313.288	1.803	50	20	DDGD	
O=C(Cn1cncn1)NNC(=O)c1ccc(Cl)cc1Cl	849202735	NXYPUGBUJRFZIU-UHFFFAOYSA-N	314.132	1.046	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1	842556348	AOGFUFCWGBLZMP-GXSJLCMTSA-N	306.322	1.442	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCOc1ccc2ccccc2c1	910146697	GGAMGRISSGVDRK-ZDUSSCGKSA-N	302.374	1.953	50	20	DDGD	
NC(=O)[C@H]1CC[C@H]1C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	848189741	PSGOUJSNQOTPSD-JGVFFNPUSA-N	312.713	1.203	50	20	DDGD	
CC[S@](=O)c1ccccc1C(=O)NNc1nccc(OC)n1	914762870	VJSMIDNPMXMEOS-QFIPXVFZSA-N	320.374	1.370	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CSc2ccccc21	843650880	IFGWGFRNBSSGCK-HOSYDEDBSA-N	306.387	1.448	50	20	DDGD	
O=C(CC1CC1)NNC(=S)N[C@@H]1CCc2ccccc2C1	840764328	SDMCICJWJDIDHA-CQSZACIVSA-N	303.431	1.839	50	20	DDGD	
NS(=O)(=O)C1(C(=O)NNc2c(Cl)cccc2Cl)CC1	845822643	ZRAZHYDCEPGLPU-UHFFFAOYSA-N	324.189	1.258	50	20	DDGD	
C[C@]1(C(=O)NNc2ncnc3[nH]cnc23)CCc2ccccc21	844135393	WAYWGBUZECKEIL-INIZCTEOSA-N	308.345	1.700	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NCCCNC1CC1	841918558	NVJJZQWFIRHOIO-UHFFFAOYSA-N	318.421	1.482	50	20	DDGD	
COC(=O)c1cc(NNC(=O)N[C@H]2CCCNCC2)ccc1F	841979535	UOXGKOUGLNRXNR-JTQLQIEISA-N	324.356	1.381	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2ccc(C(=O)O)[nH]2)cc1OC	749808043	SQOUSUJJQQWVFY-UHFFFAOYSA-N	317.301	1.494	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)COC2(C)CCC2)c(C)c1	746296729	OHPVYLLHORKHTI-UHFFFAOYSA-N	319.405	1.822	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@@H](C#N)CC)cc1	845076028	JOMCVMAVRHEGFD-SNVBAGLBSA-N	306.391	1.953	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Cc2ccn(CC)n2)cc1	844288190	KVSPCANCJNKSBT-UHFFFAOYSA-N	300.362	1.469	50	20	DDGD	
C[C@H](C(=O)OCC(=O)NNC(=O)c1cccs1)c1ccco1	745124969	FIZXUGODAMEVGR-VIFPVBQESA-N	322.342	1.449	50	20	DDGD	
CC(=O)c1cccc(OCCCC(=O)NNC(=O)C(C)C)c1	746817841	JHASXDDHLMYYRP-UHFFFAOYSA-N	306.362	1.852	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C(C)(C)OC(C)=O)cc1	846377918	PKXONZZQDJMZBW-UHFFFAOYSA-N	308.334	1.187	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1SCCc2ccccc21	843652204	IPFKZHGOIYDMHL-ZKYQVNSYSA-N	320.414	1.589	50	20	DDGD	
CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@]1(C)C[C@@H]1Br	923266750	SXLCEIGRSSHHPP-NOHGZBONSA-N	301.228	1.855	50	20	DDGD	
CN(C)C(=O)c1ccc(C=NNC(=O)Cc2ccc(F)cc2)[nH]1	752163135	PWRZEDAZCYMXRU-UHFFFAOYSA-N	316.336	1.548	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CNC(=O)Nc2ccccc2)o1	752525365	ZUTAUOCHJICLCH-UHFFFAOYSA-N	316.317	1.171	50	20	DDGD	
C#CCOc1ccc(NC(=O)NNC(=O)c2c[nH]nc2C)cc1	756477932	APLQWOAMBWDGRX-UHFFFAOYSA-N	313.317	1.197	50	20	DDGD	
CO[C@@](C)(C(=O)NCC(Cl)Cl)C(=O)OC(C)(C)C	854451326	ZFHLHTSBPOSBPX-NSHDSACASA-N	300.182	1.653	50	20	DDGD	
CC1(NC(=O)NC[C@@]2(C)C[C@H]2Br)CCNCC1	857105373	KHOHOXWBNAZXOV-MWLCHTKSSA-N	304.232	1.601	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC(CN)CC2)C[C@H]1Br	857105930	VJCLKMZYGANJMI-ZYHUDNBSSA-N	304.232	1.540	50	20	DDGD	
N#CC1(CC(=O)NNC(=O)N=c2cc[nH]cc2)CCCCC1	854377937	ZLTFCKXZCYXRLM-UHFFFAOYSA-N	301.350	1.520	50	20	DDGD	
O=C(NC[C@@H](c1ccccc1)C1CC1)NNC(=O)c1cn[nH]c1	858486977	SHPCZNVOQAGZMO-AWEZNQCLSA-N	313.361	1.548	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCCO[C@@H]1CCCCO1	854552578	VNFQNHYFGYLCRX-WSYSLRRZSA-N	316.357	1.959	50	20	DDGD	
COc1ccc(NC(=O)NNC(C)=O)c(Br)c1	753935117	CDBCUEBSJBOJGQ-UHFFFAOYSA-N	302.128	1.630	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@H]2CCCCN2)C[C@@H]1Br	857104041	LNMODYAVOCHZKO-JFGNBEQYSA-N	304.232	1.601	50	20	DDGD	
CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@]1(C)C[C@@H]1Br	857690273	ZCPMWJGQFFHGGW-GVXVVHGQSA-N	319.243	1.827	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H](OC)C2CC2)c1C	854091483	BNKMMWJEPASHBJ-CQSZACIVSA-N	321.377	1.833	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc(-c2csnn2)cc1	859329260	ZRDKWNPVAWMLFB-UHFFFAOYSA-N	302.359	1.766	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Nc2ncc(C(C)(C)C)s2)cn1	756797067	WXPJZLMVGWLJRQ-UHFFFAOYSA-N	322.394	1.641	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1cc(Cl)ccc1F	755453255	JKBCZXNSCJLQLT-UHFFFAOYSA-N	311.704	1.977	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCC[C@H](C)N(C)C)cc(C#N)n1C	855410851	JZMXFJWUWFZRKE-AAWHYMEISA-N	313.405	1.569	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@H]2CCCCN(C)C2)c1	858708573	VGQGGQUQTFJCTN-GFCCVEGCSA-N	324.450	1.732	50	20	DDGD	
O=C(NNC(=O)c1ncoc1-c1ccon1)NC1CCCCC1	854192497	NFJJGTBPJUJZLJ-UHFFFAOYSA-N	319.321	1.606	50	20	DDGD	
CC[C@H]1C(=O)N(CC)CCN1CCI	759453571	YHYIUOQUMQKRPM-VIFPVBQESA-N	310.179	1.364	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NNc2ccncn2)C1	854748100	WPCRDPSPWLVREX-MGCOHNPYSA-N	307.354	1.223	50	20	DDGD	
COC[C@@H](C)Oc1ccc(C=NNC(=O)N2CCOCC2)cc1	853297027	WYBAQRJLZMDTAH-CYBMUJFWSA-N	321.377	1.476	50	20	DDGD	
CN(C)CC(=O)NN=Cc1ccc(NC(=O)OC(C)(C)C)nc1	755890734	YWHYAHUREDBQSF-UHFFFAOYSA-N	321.381	1.440	50	20	DDGD	
Cc1ccccc1[C@@H](C)C(=O)NNC(=O)NCC(F)(F)F	935803185	VAVDKEPHMMQQSG-SECBINFHSA-N	303.284	1.991	50	20	DDGD	
COCCOc1cccc(NC(=O)NNC(=O)CC2CC2)c1	756008640	BACCNAJLZWJNMD-UHFFFAOYSA-N	307.350	1.665	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCCc1ccn(-c2ccccc2)n1	751260104	JLWHUEVMJQIUBK-YPKPFQOOSA-N	310.357	1.975	50	20	DDGD	
CCCn1nccc1C(=O)NNC(=O)Nc1ccc(OC)cc1	854379815	NHHISWGCUQMSBU-UHFFFAOYSA-N	317.349	1.768	50	20	DDGD	
CC(C)(C)N1C[C@H](C(=O)NNc2ncc(Cl)cn2)CC1=O	857356394	ZQMJLSXAQDDPFU-MRVPVSSYSA-N	311.773	1.220	50	20	DDGD	
CC(C)(C(=O)NNc1cc(F)cc(Cl)c1)S(C)(=O)=O	855618658	MHUFWIHTZJZAFW-UHFFFAOYSA-N	308.762	1.745	50	20	DDGD	
C[C@@H](NNC(=O)[C@H]1CCN1C(=O)OC(C)(C)C)C(F)(F)F	862317091	DIYVNUDDNCEUHK-HTQZYQBOSA-N	311.304	1.567	50	20	DDGD	
O=C(/C=C/CN1CCOCC1)NNc1ccc2ccccc2n1	867241041	PXXLQVQYCPDLIL-ZZXKWVIFSA-N	312.373	1.566	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)Nc1ccccc1N1CCCC1	860299360	HMAOBAHZROTDPC-UHFFFAOYSA-N	314.349	1.476	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H]1CCN(C)c2ccccc21	764481509	HLMMHYGMKWOBAQ-LBPRGKRZSA-N	313.361	1.552	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1	762904578	XTXZOUGCIHJPCY-SECBINFHSA-N	317.305	1.640	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1	861566796	RSPZHGKMCLFESW-PUHVVEEASA-N	321.377	1.907	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccc(-n2ccnc2)nc1	768493607	ABASDSLLLDTHOK-UHFFFAOYSA-N	319.328	1.901	50	20	DDGD	
CC[C@@H](CC(=O)NNC(=O)Cc1cc(C)[nH]n1)c1ccccc1	869011951	AFRUGKNSVJMJIH-ZDUSSCGKSA-N	314.389	1.992	50	20	DDGD	
CN(CCC(=O)NNC(=O)c1ccccn1)C1CCCCC1	769676118	OPGUTULGFBXSEB-UHFFFAOYSA-N	304.394	1.497	50	20	DDGD	
CCC[C@H](CC1CCCC1)C(=O)NNC(=O)CS(C)(=O)=O	863463858	WXPAATOMERPZAY-GFCCVEGCSA-N	318.439	1.175	50	20	DDGD	
COCCOc1cc(C(=O)NN[C@H](C)C(F)(F)F)ccn1	862316457	PJZUQIMTTZVINK-MRVPVSSYSA-N	307.272	1.292	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccnn1CC1CCC1	869216741	CARGEVVCQVKJOS-UHFFFAOYSA-N	321.450	1.592	50	20	DDGD	
CCOc1cccc(CCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	862094451	LZVYSURXLZSCCX-WFASDCNBSA-N	320.389	1.590	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C=NNC(=O)c2ccc[nH]2)c1C	863075962	COXZSUYECHCPRR-UHFFFAOYSA-N	302.334	1.900	50	20	DDGD	
CN1CCC[C@H](NC(=O)[C@@H](Br)C(C)(C)C)C1=O	768226633	LLRZNPIMLRLIAT-DTWKUNHWSA-N	305.216	1.533	50	20	DDGD	
C[C@H](C(=O)NNc1ncc(F)cn1)N1CCc2ccccc21	760914492	KPNGYEICCPXEIS-SNVBAGLBSA-N	301.325	1.510	50	20	DDGD	
OB(O)c1ccccc1CNc1ccc2c(cnn2C(F)F)c1	864030469	LSLPDZCLPQXJMV-UHFFFAOYSA-N	317.104	1.723	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NN=C2CN3CCC2CC3)c1	864788886	RAKWIZUDFJKCBL-UHFFFAOYSA-N	301.390	1.880	50	20	DDGD	
CCCCC[C@](C)(CC)C(=O)NNC(=O)CS(C)(=O)=O	863465112	TWWLYLAATHEDKN-ZDUSSCGKSA-N	306.428	1.175	50	20	DDGD	
COC(=O)C(=O)NN=Cc1cccc(OCc2ccccc2)c1	1116196350	YNWIRNZJNOFPSH-UHFFFAOYSA-N	312.325	1.889	50	20	DDGD	
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)C1CC1	765370586	VFLAJTNYVZJUKU-LLVKDONJSA-N	305.334	1.721	50	20	DDGD	
Cc1cccc(C)c1NC(=O)C(=O)NNC(=O)NC1CCCC1	765314374	LNEKJMGLEAFIFP-UHFFFAOYSA-N	318.377	1.515	50	20	DDGD	
CC[C@@]1(C(=O)NNc2ccc(C(F)(F)F)cn2)CCNC1=O	867493385	KXJKZMQXACFPDN-GFCCVEGCSA-N	316.283	1.460	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNc2nccnc2OC)cc1	766268185	ASEOHCRPYHHCRP-UHFFFAOYSA-N	315.333	1.129	50	20	DDGD	
Cc1c(NNC(=O)c2cnc3[nH]cnc3c2)cccc1[N+](=O)[O-]	765009664	MUWYQFCUIGVJBC-UHFFFAOYSA-N	312.289	1.931	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H](CC)OCC)c1	874949838	GBQNYSYJXMBKHL-CYBMUJFWSA-N	305.403	1.801	50	20	DDGD	
CN(NC(=O)Nc1cccc(F)c1S(C)(=O)=O)C1CC1	879906218	FMNOYAQUICWAAT-UHFFFAOYSA-N	301.343	1.360	50	20	DDGD	
N#CSCCCNC(=O)CNC(=O)c1ccc(C#N)cc1	773584583	HMJOMWIULSKYJU-UHFFFAOYSA-N	302.359	1.009	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)c1nc2ccccc2s1	874913321	BVDOBNNPBNKBBQ-CQSZACIVSA-N	307.375	1.872	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2nnn(C)c2C)c(C)c1	873759556	WXBZJMXCXRBZJP-UHFFFAOYSA-N	318.406	1.372	50	20	DDGD	
Cc1ccc(OCC(=O)NNc2nncc(N)c2Cl)cc1	1116300026	OHHJJCODRFEQKO-UHFFFAOYSA-N	307.741	1.543	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)CSC2CC2)cn1	874955142	JPDADKCPVBKEIC-UHFFFAOYSA-N	312.420	1.303	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)c2nc3ccccc3s2)CO1	873053597	LUFBDLGRBISFLH-BDAKNGLRSA-N	320.374	1.418	50	20	DDGD	
COc1cccc(NCC(=O)NN=C(C)c2cnn(C)c2C)c1	778540651	RQRIKHFVLJFJSG-UHFFFAOYSA-N	315.377	1.689	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2CCCNC2=O)cc1C	873762156	QJWFTFONAJIRGV-LBPRGKRZSA-N	320.418	1.147	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)Cc1ccc(C)cc1	772240835	LGPFLSHFUZWSKZ-QWHCGFSZSA-N	320.389	1.663	50	20	DDGD	
O=C(NN=Cc1ccc2c(c1)OCCCCO2)c1cccnn1	1119358372	UFAYSNCBBYEPMB-UHFFFAOYSA-N	312.329	1.792	50	20	DDGD	
COc1nccnc1NNC(=O)Cc1ccccc1NC(C)=O	770730942	CKTPXTZNSBJVQU-UHFFFAOYSA-N	315.333	1.129	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CC[C@H](C)C2)cc1	776421037	BZKRSYUYAHLGLF-GXTWGEPZSA-N	318.373	1.735	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)c2ccc(C)cc2O)c1C	878325863	MORIIPXZVNSFML-UHFFFAOYSA-N	302.334	1.300	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1cc(F)cc(Cl)c1	776728400	DCEFQWGYKREFNK-UHFFFAOYSA-N	323.711	1.952	50	20	DDGD	
CO[C@@H](C)CC(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	772956232	WIJZNHKHXJEZAY-UWVGGRQHSA-N	314.769	1.680	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2cc1O)c1ccncn1	779371320	RGVWBDGMSMMDCQ-UHFFFAOYSA-N	308.297	1.410	50	20	DDGD	
C[C@@H](O)c1ncc(C=NNC(=O)COc2ccc(F)cc2)s1	773019071	PCMJSXWZTKDREF-SECBINFHSA-N	323.349	1.865	50	20	DDGD	
CSc1cccc(NC(=O)C(=O)NNc2ncccn2)c1	773721801	UKKLATXPBIGHHR-UHFFFAOYSA-N	303.347	1.280	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(C(=O)N(C)C)cc1F	880642494	JUBVMUKITWQNHX-UHFFFAOYSA-N	312.301	1.310	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cnc(N(C)C)c(Cl)c1	887152031	SVMFLWXKTSDXSB-UHFFFAOYSA-N	308.769	1.366	50	20	DDGD	
C=CCOc1cccc(NC(=O)C(=O)NNc2cccnn2)c1	784863025	UHBDBZHGVUKZJL-UHFFFAOYSA-N	313.317	1.123	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)NC1CCCCC1)N1[C@H](C)CC[C@H]1C	780158289	CKRQJPBZQVDWMZ-UPJWGTAASA-N	310.442	1.911	50	20	DDGD	
COc1cccc(COCC(=O)NNc2cccc(OC)n2)c1	780767999	DRCAKAFIGPGPHT-UHFFFAOYSA-N	317.345	1.759	50	20	DDGD	
CN(C)c1ccc(CCC(=O)NNC(=O)C2CCOCC2)cc1	883060848	ZKHMRVLSTZPPPH-UHFFFAOYSA-N	319.405	1.259	50	20	DDGD	
COC(=O)c1ccc(C=NN(C)C(N)=O)c(Br)c1	789034084	MPIOVKVTWQUBTC-UHFFFAOYSA-N	314.139	1.580	50	20	DDGD	
CN(NC(=O)NC[C@@H]1CCCCS1(=O)=O)c1ccccc1	784443931	UGGBCMFYPZJFFK-ZDUSSCGKSA-N	311.407	1.304	50	20	DDGD	
Cn1nnc(CNC(=O)NNc2ccccc2C(F)(F)F)n1	787436859	JRHNJHHEMOISMV-UHFFFAOYSA-N	315.259	1.055	50	20	DDGD	
Cc1ccccc1C[C@@H](CO)NS(=O)(=O)CCCCCl	786133462	YFCMTEAHVJJQJR-AWEZNQCLSA-N	319.854	1.837	50	20	DDGD	
CSSCCNC(=O)N1CCO[C@H](c2ccnn2C)C1	894685385	YTSQMEVDHTYCOX-NSHDSACASA-N	316.452	1.514	50	20	DDGD	
CN1CCCC[C@H](CNC(=O)NNC(=O)OC(C)(C)C)C1	897544690	WMQUWJSJBIXASI-LLVKDONJSA-N	300.403	1.457	50	20	DDGD	
CC(C)Cn1ccc(C(=O)NNC(=O)c2ccccc2O)n1	895522916	WFUIVJRYJZHAKF-UHFFFAOYSA-N	302.334	1.320	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](CC)OC1CCCC1	785933364	SWHQUIOOVRGVKJ-CMPLNLGQSA-N	314.382	1.213	50	20	DDGD	
COc1ccc(NNC(=O)c2c[nH]nc2-c2cccnc2)nc1	781521010	LKWNCUWDQQVOON-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42	793891615	PGCPRPMQZKSYQM-GCXGXSGTSA-N	316.792	1.967	50	20	DDGD	
COc1ccc(NCC(=O)NN=C(C)c2cc(C)on2)cc1	790287565	JXVKDSJWVICHOW-UHFFFAOYSA-N	302.334	1.944	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@H]2CCC=CO2)cc1	792802742	KGLGWLGNKXYSFU-CQSZACIVSA-N	304.346	1.468	50	20	DDGD	
O=C(NN=Cc1ccc(OCC2CC2)cc1)C(=O)N1CCCC1	790164531	CHWGRNRLDMNALV-UHFFFAOYSA-N	315.373	1.548	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1ccc(F)c(F)c1F	792376024	OBEYLJLBGWDAEU-UHFFFAOYSA-N	324.262	1.889	50	20	DDGD	
COCC[C@H]1CCCC1=NNC(=O)Cc1cc(O)nc(S)n1	799873153	ATFSSPIEHLHESR-SECBINFHSA-N	324.406	1.322	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H](F)Cc2ccccc2)n1	794086250	SXBHMBKYMINGMK-ZDUSSCGKSA-N	301.321	1.732	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H](C)OCc2ccccc2)n1	794076927	ZTXNNLSNAWTNLP-ZDUSSCGKSA-N	313.357	1.756	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1ccc(-n2cncn2)c(F)c1	794958893	VJGQGDHZSUZXRZ-WZUFQYTHSA-N	321.337	1.162	50	20	DDGD	
O=C(CCCc1ccccn1)NNC(=O)NCC(F)(F)F	798316267	MJBOLPXKIQVWGS-UHFFFAOYSA-N	304.272	1.297	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CC(=O)NNc1nncc(N)c1Cl	1319566733	LIRKMUWJUJVVQS-ZCFIWIBFSA-N	324.772	1.954	50	20	DDGD	
O=C(NNc1cccnn1)C(=O)Nc1cccc2cnccc12	1326089877	PRZKOVVMKCDEOR-UHFFFAOYSA-N	308.301	1.107	50	20	DDGD	
CCOC(=O)C[C@H]1CCCN1C(=O)NNC(=O)C1CCCC1	1320735726	WZNNTHGOYTVHFB-GFCCVEGCSA-N	311.382	1.335	50	20	DDGD	
Cc1ncccc1CC(=O)NNC(=O)c1cccc2ncccc12	1321844582	JASSTRKXHLEGOE-UHFFFAOYSA-N	320.352	1.942	50	20	DDGD	
CC[C@H](CC(F)(F)F)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	1326767226	QBJAPSJDSYCDME-HLTSFMKQSA-N	311.304	1.473	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2ccc(C(C)(C)C)nn2)CCC1	1321937569	NSTCNUYGZPARLJ-UHFFFAOYSA-N	305.382	1.134	50	20	DDGD	
COc1ccc([C@H](C)N(C)C(=O)NNC(=O)c2cn[nH]c2)cc1	1331536946	NIEAMXCGEKKJIT-JTQLQIEISA-N	317.349	1.466	50	20	DDGD	
O=C(NN=Cc1ncccc1C(F)(F)F)C1CCOCC1	1330902162	FEEKMWHUVNRJHF-UHFFFAOYSA-N	301.268	1.977	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1c(C)nc2sccn12	1332317394	DZPOZUOYVSUNQT-UHFFFAOYSA-N	310.379	1.207	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1ccccc1C(F)F	1338528849	XPTJEFBXTHTZKJ-UHFFFAOYSA-N	323.299	1.514	50	20	DDGD	
C#CC[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccccc1	1345733430	QDSXDMIFDDPCID-CFVMTHIKSA-N	315.373	1.506	50	20	DDGD	
CC(=O)c1cn(CC(=O)OC[C@]2(C)C[C@H]2Br)nn1	1526044765	MRGWURHBWMYGBB-KOLCDFICSA-N	316.155	1.197	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@H]2CCN2C2CCCC2)ccc1F	1608856530	AZNNGDVNNKPNLC-CQSZACIVSA-N	321.352	1.984	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)cc1C(=O)O	1600341668	URMYWWUJHRVFSG-LBPRGKRZSA-N	306.318	1.023	50	20	DDGD	
CN(C)c1ccncc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1609270254	KKVZIKHUKDQKQB-UHFFFAOYSA-N	324.348	1.085	50	20	DDGD	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)c1ccc2ccccc2c1	1605023280	MEXFJRVCSYQFQB-QGHHPUGFSA-N	312.325	1.712	50	20	DDGD	
O=C(O)CCCCNC(=O)NNc1ccc(C(=O)O)cc1F	1601988601	XLVWGLGIBUIKIJ-UHFFFAOYSA-N	313.285	1.405	50	20	DDGD	
N#C[C@]1(C(=O)NNc2ccc(C(=O)O)cc2F)CCCOC1	1601051042	ZOLIERUTFYLXOO-CQSZACIVSA-N	307.281	1.287	50	20	DDGD	
O=C(CCC1CCCCC1)NNC(=O)c1cncc(C(=O)O)c1	1601263738	HHGCMWMKMSNXOZ-UHFFFAOYSA-N	319.361	1.901	50	20	DDGD	
O=C(NN=Cc1cnon1)[C@H]1CCCO[C@@H]1c1ccccc1	1549083784	NJYUPXUXEYDMQC-UONOGXRCSA-N	300.318	1.688	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccc([N+](=O)[O-])cc2F)nc1	1610835995	PYJKTYBHWQTPFW-UHFFFAOYSA-N	320.236	1.584	50	20	DDGD	
O=C(NC[C@@H]1CCCOC1)NNc1ccc(C(=O)O)cc1F	1610692229	VRXADRIEVYBNIX-VIFPVBQESA-N	311.313	1.577	50	20	DDGD	
CCCC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1ccccn1	1549319693	IUCYQTOBTMQIMN-BBRMVZONSA-N	316.405	1.565	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCc1ccc(C(=O)O)o1	1610618129	AVECWHBTQCJXRC-XFFZJAGNSA-N	312.281	1.907	50	20	DDGD	
CC[C@@H]1CC(=NNC(=O)[C@@H]2CCCO[C@@H]2c2nccn2C)CO1	1549314433	HRRDOEPAXRMWLN-MCIONIFRSA-N	320.393	1.559	50	20	DDGD	
Cc1cc(C)c(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)cc1C	1549312664	BWVOCJIJDFYORW-IAGOWNOFSA-N	315.417	1.925	50	20	DDGD	
CCC1(CC)C(=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)C[C@H]1OC	1549317987	OFCYNOSFYZHJJG-KCQAQPDRSA-N	323.437	1.547	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CSCN2)c(Cl)c1	1579720168	CTAYBQIESHCNLP-JTQLQIEISA-N	314.798	1.464	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1nc2ccc(-c3nn[nH]n3)cc2[nH]1	1578340905	GZLUAUCWHSNZLK-VQHVLOKHSA-N	324.304	1.125	50	20	DDGD	
Cc1oc(-c2nn[nH]n2)cc1C(=O)NNc1ncc(F)cc1F	1592501443	RUFXEAHJHXKJMN-UHFFFAOYSA-N	321.247	1.198	50	20	DDGD	
CCc1nn(C)cc1NC(=O)NNc1ccc(CC(=O)O)cc1	1597722870	AGSSQUCETKQYSS-UHFFFAOYSA-N	317.349	1.758	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)c1cnc(C(=O)O)cn1	1594366043	HFBVBMFJBIXHMH-UHFFFAOYSA-N	306.709	1.894	50	20	DDGD	
COCc1cc(NC(=O)NN(C)C(=O)OC)cc(C(=O)O)c1	1599286046	MSMAVKQSURZOQW-UHFFFAOYSA-N	311.294	1.266	50	20	DDGD	
CN(C)[C@@H](C(=O)NNc1ccc(C(=O)O)cn1)c1ccccc1	1598162780	JONHIRAKYVCCOV-CQSZACIVSA-N	314.345	1.526	50	20	DDGD	
O=C(O)[C@]1(C(=O)NNc2cccc(F)c2Cl)CCCO1	1594867384	MNMMIXRETQMJTL-GFCCVEGCSA-N	302.689	1.556	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@@H]1CC(C(=O)O)=NO1	1594332383	ROHYXIOTNFSARQ-LBPRGKRZSA-N	314.301	1.216	50	20	DDGD	
CCn1cc(C=NNC(=O)Nc2ccc(C(=O)O)cc2)nn1	1776046149	CPUHSMDHJVCQQH-UHFFFAOYSA-N	302.294	1.152	50	20	DDGD	
C/C=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Cl)C[C@@H]21	1790797445	YIOMYLSFAJMGLW-HDVPNWOXSA-N	318.776	1.077	50	20	DDGD	
O=C(NN[C@H]1CCS(=O)(=O)C1)Nc1ccc(Cl)cc1	16310831	SSEQPDRGXNLADI-JTQLQIEISA-N	303.771	1.153	50	20	DDGD	
O=C(CN1C[C@@H]2CCC[C@H]2C1)NNC(=O)c1ccccc1Cl	153325188	HDSCCBNOZJUBGQ-RYUDHWBXSA-N	321.808	1.833	50	20	DDGD	
COCCOc1cccc(CC(=O)NNC(=O)C(C)(C)C)c1	153382621	APIMSIGNISNGNR-UHFFFAOYSA-N	308.378	1.448	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc(OC(C)(C)C)cc1	156107103	QURBAIXENREJID-UHFFFAOYSA-N	308.382	1.578	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc3ccccc23)c(=O)[nH]1	157586317	ATYKTEOKHOQVGK-UHFFFAOYSA-N	321.336	1.911	50	20	DDGD	
COc1cccc([C@@H](O)C(=O)NNc2nc(C)cc(C)n2)c1	156167946	MHVPPBZIUIGDEH-CYBMUJFWSA-N	302.334	1.279	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc(F)cc1)C[C@@H](C)C#N	155246969	AXTXJKWWLGYKHX-NSHDSACASA-N	306.341	1.068	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)NCc2ccc(F)cc2)cc1	155383105	KMIHXKJWCKSIPD-UHFFFAOYSA-N	312.304	1.457	50	20	DDGD	
COc1ccc(NNC(=O)NCCOCC(F)(F)F)nc1	156863002	WYVNGLDRDINIHY-UHFFFAOYSA-N	308.260	1.295	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCCc1nc2c(F)cccc2n1C	159471346	YMYYGNXQPVQIJK-KHPPLWFESA-N	316.336	1.815	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)COc2ccc(C)cc2)cc1	584936	RXIGAUJKUMXBBR-UHFFFAOYSA-N	314.341	1.844	50	20	DDGD	
COc1ccc(Cl)cc1CC(=O)NNC(=O)c1ccc[nH]1	7849237	DURKDCFUYCJDFM-UHFFFAOYSA-N	307.737	1.680	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(OCC(=O)OC)cc1C	55010793	WLDFFGXIUVSHFC-FMIVXFBMSA-N	318.329	1.929	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc(F)c(F)c1	8194426	LKEFEEOWHKHSHO-UHFFFAOYSA-N	317.361	1.452	50	20	DDGD	
CCO[C@@H]1CCCN(C(=O)NNC(=O)c2cccc(C#N)c2)C1	103517189	HWNFIBWNLWLGLM-CQSZACIVSA-N	316.361	1.414	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNc1nc(-c2ccncc2)no1	104881875	MJXRSTFYENQDLQ-GFCCVEGCSA-N	316.365	1.449	50	20	DDGD	
Cc1ccc(NNC(=O)NCCc2ccc3c(c2)CCO3)nn1	172035925	SMTMKYKKXBORTH-UHFFFAOYSA-N	313.361	1.589	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)Cn1ccc2ccccc21)N(C)C	106918246	SSOSQSJQMAJLGA-INIZCTEOSA-N	316.405	1.375	50	20	DDGD	
CCCN1CC[C@H](CNC(=O)NNC(=O)OC(C)(C)C)C1	54806319	WIHRUODZPUENBO-LLVKDONJSA-N	300.403	1.457	50	20	DDGD	
Cc1ccnc(NNC(=O)c2cnc3cc(C)ccn3c2=O)c1	176745763	OVMZBOHPKBUXCT-UHFFFAOYSA-N	309.329	1.463	50	20	DDGD	
CC(C)CO[C@@H]1CCN(CC(=O)NNC(=O)c2ccccc2)C1	119513338	XROPPKOXDAZHHT-OAHLLOKOSA-N	319.405	1.195	50	20	DDGD	
C/C(=C/c1ccccc1Cl)C(=O)NNC(=O)N1CCOCC1	179384575	HHVSAWPTCMZDEE-KHPPLWFESA-N	323.780	1.816	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc3[nH]nnc3c2)nn1	118526873	FEQPAABVLLHPTF-UHFFFAOYSA-N	311.349	1.802	50	20	DDGD	
CC(C)n1nccc1NC(=O)NNC(=O)Cc1ccc(F)cc1	65774939	PYJRJHKFFYFQHU-UHFFFAOYSA-N	319.340	1.999	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@@]23CCc2ccccc23)[nH]n1	178370109	ZPCZPCLOCLLORL-SUMWQHHRSA-N	310.357	1.383	50	20	DDGD	
CCOc1cccc(C(=O)NNc2nc(C)cc(OC)n2)c1	174495200	GMVUGGXFAQMWJK-UHFFFAOYSA-N	302.334	1.949	50	20	DDGD	
CCC[C@H](NC(=O)NNC(=O)c1cnn(C)c1)c1ccccc1	172223205	QMNHXNAUPLCZDT-AWEZNQCLSA-N	315.377	1.906	50	20	DDGD	
CCCCOCC(=O)NNC(=O)c1cc(Cl)ccc1O	118492982	OGXSWRJAXKIADV-UHFFFAOYSA-N	300.742	1.623	50	20	DDGD	
CCc1ccc(OCC(=O)NNC(=O)Cc2ccncc2)cc1	175796487	BTYGNOWPIJLOTC-UHFFFAOYSA-N	313.357	1.413	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C2[C@@H]3CCC[C@@H]23)c1	178096820	VZGBEPQLWQEELN-CHWSQXEVSA-N	303.362	1.301	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)COCC(F)(F)F)c1ccccc1	110338133	PCQIGYRDFKTSNA-LLVKDONJSA-N	318.295	1.907	50	20	DDGD	
CC1(C)[C@@H]2CC[C@@]1(C(=O)NNC(=O)CC(F)(F)F)C(=O)C2	1347703109	BGRXWDAMFJTULX-KRTXAFLBSA-N	306.284	1.482	50	20	DDGD	
COC(=O)C(=O)NN=Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-]	1343572163	MDQAOYGSESUPRC-UHFFFAOYSA-N	320.088	1.525	50	20	DDGD	
Cc1noc(C)c1CNC(=O)NNC(=O)Cc1ccccc1F	66925494	WTARKSKBXRLFPR-UHFFFAOYSA-N	320.324	1.504	50	20	DDGD	
CN(C)N(C(=O)c1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1	68525838	UJSQWDAFUUSCLA-JTQLQIEISA-N	318.345	1.071	50	20	DDGD	
Cc1ccc(-c2nc(CC(=O)NN(C)C(N)=O)cs2)cc1	179694302	WFIURPCKYZNMKT-UHFFFAOYSA-N	304.375	1.703	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC2C[C@@H](C)C[C@@H](C)C2)n1	172512248	ZLQBXDHJIAORFN-BVUQATHDSA-N	321.425	1.655	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C(C)C)N2CCCC2=O)s1	121323023	CZOZNWVTNQPCSS-ZDUSSCGKSA-N	323.418	1.465	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@H]1C[C@@H]1C1CC1	177610178	LEJLZKQLLGNNLU-VXGBXAGGSA-N	304.346	1.268	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)[C@H]1CC=CCC1	125676395	WVLMJCCGWOQRRZ-NSHDSACASA-N	306.387	1.988	50	20	DDGD	
Cc1nnc(NS(=O)(=O)c2ccc(CCCl)cc2)o1	127802255	RMJDIJMOGHURNK-UHFFFAOYSA-N	301.755	1.960	50	20	DDGD	
CN(C)Cc1cccc(NC(=O)C(=O)NNc2ccccc2)c1	185219715	MMMNEWBLXIKEDI-UHFFFAOYSA-N	312.373	1.830	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)Nc1cccc(F)c1	124672341	OLNVTCPXOOCOPL-UHFFFAOYSA-N	310.329	1.283	50	20	DDGD	
O=C(CN1CCC2(CCC2)C1)NNC(=O)c1ccc(F)cc1	122854769	TTWZEPHWNHQIEG-UHFFFAOYSA-N	305.353	1.463	50	20	DDGD	
CCCN1CCC[C@H]1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	123805037	KCUZXZICGWFDMV-ZDUSSCGKSA-N	320.349	1.230	50	20	DDGD	
CCC1(C(=O)NNC(=O)Cc2cn3ccccc3n2)CCCC1	125043906	QLIZWEKJFXJSIJ-UHFFFAOYSA-N	314.389	1.995	50	20	DDGD	
Cc1cc(F)ccc1-n1ccc(C(=O)NNC(=O)N(C)C)n1	182044643	GICYHIICJITSFC-UHFFFAOYSA-N	305.313	1.236	50	20	DDGD	
O=C(CCCNC(=O)c1ccsc1)NNc1ccccn1	181258664	AHSLMYUENWPRNX-UHFFFAOYSA-N	304.375	1.796	50	20	DDGD	
Cc1cccc2c(CC(=O)NNC(=O)c3cccnc3)c[nH]c12	130627735	DZQWDIPDBSKWFX-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
N#CCc1cccc(C(=O)NNc2nc(-c3ccncc3)no2)c1	76453139	VKPUKDWSBJCDFY-UHFFFAOYSA-N	320.312	1.955	50	20	DDGD	
CC(C)[C@@H]1CCCCN1CC(=O)NNC(=O)c1ccccc1	182317579	QVWXHUXRQXRVLY-HNNXBMFYSA-N	303.406	1.958	50	20	DDGD	
CCC(CC)NC(=O)NNC(=O)c1cc(Br)c[nH]1	43631085	UIIVWSKEVOPPPS-UHFFFAOYSA-N	317.187	1.910	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1coc(C2CCC2)n1	193175993	SXZKYNZCAIANAA-UHFFFAOYSA-N	301.302	1.723	50	20	DDGD	
COc1ccnc(NNC(=O)COc2cccc(Cl)c2C)n1	134582325	OQDNTPYZIXAKQC-UHFFFAOYSA-N	322.752	1.969	50	20	DDGD	
N#CC1(C(=O)NNC(=O)c2cc(Br)c[nH]2)CCC1	134515656	RCOFCGPZGUBGAA-UHFFFAOYSA-N	311.139	1.232	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCCN2CCCCC2)n1	192948062	AXAHWUUNNHJAQR-UHFFFAOYSA-N	306.414	1.596	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc(Br)ccc1F	194937004	JHZUQWIHNJALRP-UHFFFAOYSA-N	304.119	1.504	50	20	DDGD	
CCSc1cc(Cl)ccc1C(=O)NNC(=O)C(C)(C)O	192930584	XMVIDGDLXGWRBF-UHFFFAOYSA-N	316.810	1.984	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1Cc1ccc(F)cc1)C1CC1	81107014	URFNWRHIYBROKV-CQSZACIVSA-N	305.353	1.348	50	20	DDGD	
O=C(NNc1ccc(F)cc1)c1cc(N2CCOCC2)ccn1	194831971	VEUFPRFOGZXHFT-UHFFFAOYSA-N	316.336	1.814	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1sc(C)nc1C	97665752	MIXPQRLMQQQBQI-UHFFFAOYSA-N	319.386	1.772	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1ccc(OCCC(C)C)cc1	194108616	MJJKYKFVZXXRBV-UHFFFAOYSA-N	300.380	1.441	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H](C)c1c(C)noc1C	94121452	IXGQRYNQAQOAMU-ZETCQYMHSA-N	316.452	1.253	50	20	DDGD	
CCNS(=O)(=O)CCNC(=O)c1cccc(CCl)c1	230991279	AOIHDTRMGYHQFF-UHFFFAOYSA-N	304.799	1.095	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccccc2O)cnn1C(C)C	92716179	TUFAQKFAFRDWGP-UHFFFAOYSA-N	302.334	1.553	50	20	DDGD	
CON=Cc1ccc(C(=O)NNC(=O)c2ccc(C#N)cc2)cc1	255846882	MVZHAHFNVSDLMJ-UHFFFAOYSA-N	322.324	1.613	50	20	DDGD	
CO[C@@H](C)c1nc(CNC(=O)NNc2ccc(C)nn2)cs1	267728653	LPHLWPJVFFUBHB-VIFPVBQESA-N	322.394	1.775	50	20	DDGD	
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NNc1ccc(Cl)nn1	268102617	AJIQHDCDYVCEPY-PSASIEDQSA-N	310.789	1.239	50	20	DDGD	
COC(=O)NCC(=O)NNc1ccc(OC(F)(F)F)cc1	268538714	GDQUYYYISGINHT-UHFFFAOYSA-N	307.228	1.384	50	20	DDGD	
CCOC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2ccc(C)o2)C1	267671990	CMQXGQNEERIKFO-LLVKDONJSA-N	323.349	1.218	50	20	DDGD	
CCCOc1ccc(CNC(=O)NNC(=O)C2CCC2)cn1	264912371	ZOJHPLUSUWESGD-UHFFFAOYSA-N	306.366	1.501	50	20	DDGD	
COCC[C@H](C)NC(=O)NNC(=O)COc1ccc(C)cc1	263711098	KEPVDHRTMGSBSD-LBPRGKRZSA-N	309.366	1.129	50	20	DDGD	
CO[C@@]1(C)C[C@H](NC(=O)NNC(=O)c2ccccc2O)C1(C)C	266711293	HQDBFFXMJAWERE-LRDDRELGSA-N	321.377	1.540	50	20	DDGD	
COC(C)(C)C[C@H](C)NC(=O)NNc1ccc(Cl)nn1	266620726	VLUNZBCTDGAXNK-QMMMGPOBSA-N	301.778	1.960	50	20	DDGD	
Cc1cc(NNC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)nc(C)n1	362931865	IXOODIJXWDOHRP-QJRTVWDNSA-N	316.405	1.868	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccccc1SC	274059128	KYZCTVMUQZFJDP-SECBINFHSA-N	309.391	1.541	50	20	DDGD	
O=C(CC1CCC2(CC1)OCCO2)NNC(=O)c1cccnc1	276287074	XSYMACHZGUBUCA-UHFFFAOYSA-N	319.361	1.166	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc(C)ccc1C	276656390	ZWLFBGVJRYXWTR-UHFFFAOYSA-N	308.378	1.854	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cccc2c1OCC2(C)C	278982104	OXAFDQZPZUWCAX-UHFFFAOYSA-N	313.357	1.770	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCC1(CO)CCOCC1	279763973	FHNPKWJRJCKKQF-ZROIWOOFSA-N	316.357	1.204	50	20	DDGD	
COC(=O)N[C@@H](C(=O)NNc1nnc(C2CC2)s1)C(C)C	273631856	QXTCFOIMNDSZHP-MRVPVSSYSA-N	313.383	1.239	50	20	DDGD	
COc1ccc(NNC(=O)NCC[C@H]2CCO[C@@H](C)C2)nc1	276004640	SGPCZPHTTOVKHA-RYUDHWBXSA-N	308.382	1.922	50	20	DDGD	
CC1(C)C[C@@H]1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1c1ccccc1	276606222	SGDUAQANTKLBCV-MELADBBJSA-N	317.389	1.893	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)/C=C/c1ccc[nH]1	276184597	IMBHKFCSZCKAST-QROSGCPLSA-N	322.365	1.089	50	20	DDGD	
Cn1nccc1[C@H]1CCCN(S(=O)(=O)CBr)C1	369492348	HQSJVAJKIAQTBF-VIFPVBQESA-N	322.228	1.282	50	20	DDGD	
COCCOc1ccc(NC(=O)NNC(=O)C(C)(C)C)cc1	271395231	MTSLFXRRYDEXLV-UHFFFAOYSA-N	309.366	1.911	50	20	DDGD	
CSCC[C@H](O)C(=O)N/N=c1/sc2ccccc2n1C	270771049	QCPIGEHVQOZYQD-FIKMJJSBSA-N	311.432	1.286	50	20	DDGD	
Cc1n[nH]c(SCC(=O)NNc2nccnc2C2CCC2)n1	287258712	RPBGTBTXUNIPLL-UHFFFAOYSA-N	319.394	1.406	50	20	DDGD	
O=S(=O)(CBr)NC[C@@H]1COc2ccccc21	288455635	RYWUWMJYLYDGOH-MRVPVSSYSA-N	306.181	1.434	50	20	DDGD	
CN(C)[C@]1(CNC(=O)NNc2cccc(F)n2)CCSC1	286703194	NXTMFMVWAONEPG-ZDUSSCGKSA-N	313.402	1.284	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)cc1	282158178	MNTOFLLPYAGFTF-FIXISWKDSA-N	321.377	1.068	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCN(C)C2CCCC2)n1	280001204	RTEGTVAYZUKLBH-UHFFFAOYSA-N	319.409	1.208	50	20	DDGD	
CC[C@@H](OC)C(=O)NNC(=O)Nc1cc(OC)ccc1Cl	283734545	YCOUGABTIJAVFX-LLVKDONJSA-N	315.757	1.926	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@@H]1CCCC12CCOCC2	282544918	SSWQDJDPLRZVGF-GFCCVEGCSA-N	306.366	1.308	50	20	DDGD	
COC(=O)N(C)NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1	285770310	AFJJYDMXTJLRGQ-UHFFFAOYSA-N	321.377	1.443	50	20	DDGD	
COCCN(C)NC(=O)c1nc(Br)ccc1C	297020099	IAUXQVGVUQFMAB-UHFFFAOYSA-N	302.172	1.376	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2nc(C)oc2C)c1	295413368	NDYAUMBFNKJVDV-UHFFFAOYSA-N	318.333	1.173	50	20	DDGD	
COCCN(C)NC(=O)c1cnn(-c2ccccc2)c1COC	294591221	ZFPUJXNUYTUKOG-UHFFFAOYSA-N	318.377	1.242	50	20	DDGD	
C[C@H]1OCC[C@H]1NC(=O)NNC(=O)Nc1cccc(Cl)c1	296351683	CYNLJUULUVWOST-LDYMZIIASA-N	312.757	1.853	50	20	DDGD	
COCCN(C)NC(=O)c1cccc(OCc2noc(C)n2)c1	294322471	IWPACANZVTYKFD-UHFFFAOYSA-N	320.349	1.180	50	20	DDGD	
C[C@H](CBr)COC(=O)C(=O)N1CCC[C@@H](C)C1	805562025	MHYWKXJYOFDLGQ-NXEZZACHSA-N	306.200	1.819	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNc1cc(C(F)(F)F)ccn1	295479820	ZCBIENBOIJPXOE-UHFFFAOYSA-N	305.256	1.885	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)[C@H]2CCCCO2)ccc1F	296753204	PVWGBNPNUSZYTE-GFCCVEGCSA-N	316.354	1.013	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)ccc1[N+](=O)[O-]	294194556	KOMXCOBHBDXNEC-CABZTGNLSA-N	307.306	1.232	50	20	DDGD	
Cc1nc(Cl)ccc1NC(=O)NNC(=O)[C@H]1CCCCO1	296958042	COHYLRKIIIEXQA-SNVBAGLBSA-N	312.757	1.765	50	20	DDGD	
Cc1[nH]c(C=NNC(=O)COc2ccc(F)cc2)cc1C(=O)O	800807843	IJAJMEPLHHDTRR-UHFFFAOYSA-N	319.292	1.690	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1	294325431	JCOLELDZCVLSHP-LBPRGKRZSA-N	313.304	1.067	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@H]1CCCC(F)(F)C1	800326670	GGNHKQOVFGGPRD-LURJTMIESA-N	303.231	1.705	50	20	DDGD	
CCCOc1ccc(C(=O)NN=Cc2ccn(C)n2)cc1OC	814756107	XNSFPQLZOPKEEF-UHFFFAOYSA-N	316.361	1.981	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@H]2CCCSC2)c1	810005662	BRAPPNYUPDVGFQ-NSHDSACASA-N	323.418	1.398	50	20	DDGD	
COCCN(C)NC(=O)c1cnc2c(cnn2CC(C)C)c1	816561995	UZQAIWGMEZRGJU-UHFFFAOYSA-N	305.382	1.310	50	20	DDGD	
N#CCCn1ccc(NC(=O)NNc2cccc(Cl)n2)n1	814642666	KEXNLFIOSXGSJJ-UHFFFAOYSA-N	305.729	1.994	50	20	DDGD	
CO[C@](C)(C=NNC(=O)C(=O)Nc1ccc(C)cc1)C1CC1	814768220	NGWDQHDUSGBOMN-MRXNPFEDSA-N	303.362	1.851	50	20	DDGD	
O=C(NCC1CC1)NN=Cc1ncc(Br)s1	814818013	ATEYOCTXSGMFSW-UHFFFAOYSA-N	303.185	1.949	50	20	DDGD	
CCCc1[nH]ccc1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	817271182	SYAXABGSRPAYQL-NSHDSACASA-N	323.393	1.706	50	20	DDGD	
Cc1csc(CC(=O)NN=C2CCN(CC(C)(C)O)CC2)n1	814216647	ADAYVEMXFSAQAH-UHFFFAOYSA-N	324.450	1.333	50	20	DDGD	
CSc1cccc(N2C[C@@H](C(=O)NN(C)C3CC3)CC2=O)c1	819643403	AJZWBQWRGBXFEU-NSHDSACASA-N	319.430	1.887	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCCOC[C@H]1CCCO1	728741014	KJKQBXYBUTWWGE-GFCCVEGCSA-N	315.414	1.339	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1cc(F)ccc1Cl	728507802	YYGWVRRIIPZQTL-UHFFFAOYSA-N	309.750	1.382	50	20	DDGD	
CCS[C@@H]1CCCCN(CC(=O)NNC(=O)C(C)C)C1	827803371	NLXGKWXZUJLZPN-GFCCVEGCSA-N	301.456	1.397	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	490942937	PYTLRUCWJJPUAB-BQYQJAHWSA-N	310.260	1.561	50	20	DDGD	
CCN(CCO)NC(=O)CS[C@H](C)c1nc2ccccc2[nH]1	823834058	QFZJCUOFSPQCDZ-LLVKDONJSA-N	322.434	1.703	50	20	DDGD	
CN(CC(=O)NNc1ncccn1)C(=O)OCc1ccccc1	496814050	JALJEUASOQEMNI-UHFFFAOYSA-N	315.333	1.188	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@@H](C)[C@@H]1CCCN(C2CCC2)C1	828808400	NAWAMJNAWOEIBS-UONOGXRCSA-N	324.469	1.032	50	20	DDGD	
CN(NC(=O)[C@](C)(O)Cc1ccccc1)C(=O)OC(C)(C)C	496993540	JYWSVJZDUNWZCD-MRXNPFEDSA-N	308.378	1.878	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H]2C[C@H]2C2CC2)o1	820202068	FGJWXZGXRWMEMP-IUCAKERBSA-N	317.353	1.467	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-]	823917175	DMSDMPHRHYOTJU-SSDOTTSWSA-N	321.255	1.571	50	20	DDGD	
O=C(O)c1cccc(C(=O)NNc2ncccc2[N+](=O)[O-])c1	821549958	YJWPFYUSUQCPGJ-UHFFFAOYSA-N	302.246	1.445	50	20	DDGD	
N#C[C@H]1CC[C@@H](NC(=O)NNC(=O)COc2ccccc2F)C1	822575063	KOWFKOZOSPWFHI-WDEREUQCSA-N	320.324	1.227	50	20	DDGD	
CCN(CCO)NC(=O)C(=O)c1ccc(Br)s1	823893674	RXYUFKCTPXZFHX-UHFFFAOYSA-N	321.196	1.039	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H]1CCCN(Cc2cccnc2)C1	490905910	TVDQHIBEXGBTHZ-ZDUSSCGKSA-N	306.366	1.071	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NN(CCC)C(=O)OC(C)(C)C	495759591	BCPGSRCYIIPKGC-SNVBAGLBSA-N	316.402	1.502	50	20	DDGD	
C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NN(C)[C@H](C)CO	823934347	FNCHQMAVRMZWGZ-WDEREUQCSA-N	312.797	1.893	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC[C@@H]1C1CCCC1	827314459	DDXJBZJDESHPLQ-IACUBPJLSA-N	309.410	1.807	50	20	DDGD	
Cc1ccncc1CCC=NNC(=O)CNC(=O)OC(C)(C)C	495519784	MMOGECNPSUQDSO-UHFFFAOYSA-N	320.393	1.949	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ccc(F)c(F)c2F)nc1	727760118	YENOCEMLXHIAKJ-UHFFFAOYSA-N	310.235	1.355	50	20	DDGD	
CC[C@H](C)CC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C	495900322	AHXAQHPMBSSGKI-JTQLQIEISA-N	316.402	1.278	50	20	DDGD	
Cc1nc(C)c(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)s1	826324105	DUTDLDGWBBTFGB-UHFFFAOYSA-N	315.362	1.697	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NN=Cc1cncs1	493581134	MSDQHDYSBUGIGP-UHFFFAOYSA-N	313.383	1.301	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NNc1ccncn1	496126996	WMDCICNERMPTPT-WDEREUQCSA-N	321.381	1.613	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cc2n(n1)CCC2	827840590	UQQYNCDVUFGJJM-UHFFFAOYSA-N	300.318	1.373	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C	824627723	UOZPAWUSOGXDRS-VIFPVBQESA-N	301.387	1.293	50	20	DDGD	
CCCCOc1cc(OC)ccc1C(=O)NN(C)[C@H](C)CO	823935730	WBYURGDDTGPSIN-GFCCVEGCSA-N	310.394	1.832	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1	490783299	PJOBEAKMPFCFNP-DFYQSJSGSA-N	305.300	1.525	50	20	DDGD	
CCCNC(=O)NNC(=O)C(C)(C)CNC(=O)OC(C)(C)C	493243755	JHYIWGLFETZJLO-UHFFFAOYSA-N	316.402	1.278	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNc1cccc(C(=O)OC)c1)C(C)C	821797441	PNBKRRAXGDKVCI-CYBMUJFWSA-N	322.361	1.752	50	20	DDGD	
O=C(Cc1ccccn1)NN=Cc1ccc(-c2nn[nH]n2)s1	823115007	HFLRTQHZYQQHOG-UHFFFAOYSA-N	313.346	1.016	50	20	DDGD	
CCc1cccc2c1NC(=O)C2=NNC(=O)Cc1cc(C)[nH]n1	733076908	XZFSDFCKZXRJNV-UHFFFAOYSA-N	311.345	1.296	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](C)C1CN(C(=O)OC(C)(C)C)C1	495694142	XSNNJTFQLYBQEC-SECBINFHSA-N	315.370	1.219	50	20	DDGD	
COCCn1ccc(NC(=O)[C@]2(C)C[C@H]2Br)n1	906501440	LLRNXSLVTSZQFV-LDYMZIIASA-N	302.172	1.642	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)c2ccc3c(c2)OCCO3)cn1	732712417	GRWKUNQKHRZPKM-UHFFFAOYSA-N	314.345	1.999	50	20	DDGD	
CCc1noc(NC(=O)NNC(=O)c2cc3c(s2)CCC3)n1	836670111	OERWJRVJGYWIJS-UHFFFAOYSA-N	321.362	1.649	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1cnc2n1CCC2	832395409	JGWDQYSKQCXPQX-UHFFFAOYSA-N	311.267	2.000	50	20	DDGD	
C[C@H](N(C)CC(=O)NNC(=O)c1ccc(C#N)cc1)C1(C)CC1	839501789	GYAYLBGPJBSAHN-LBPRGKRZSA-N	314.389	1.440	50	20	DDGD	
C=C(CBr)COC(=O)c1cc(C)c(C(N)=O)cn1	838176203	YPILCXVUUSOGSC-UHFFFAOYSA-N	313.151	1.597	50	20	DDGD	
Cc1ccc(C[C@H](C)NC(=O)c2ccc(B(O)O)c(F)c2)s1	584948327	GBOUSOOWEWYKKD-VIFPVBQESA-N	321.182	1.236	50	20	DDGD	
CCC(=NNC(=O)COc1ccccc1-c1nn[nH]n1)C1CC1	736302387	DPAOGUOYTKONNF-UHFFFAOYSA-N	314.349	1.538	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cnc2ccsc2c1	833246973	VWZADCZFMJIJEJ-NSHDSACASA-N	305.359	1.626	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1CCSc2ccccc21	731280824	DTOWHDQCBYLGJV-LLVKDONJSA-N	309.391	1.590	50	20	DDGD	
CN(C)CCn1cc(NC(=O)[C@]2(C)C[C@@H]2Br)cn1	906483751	OVZIZELKJVEHKK-CMPLNLGQSA-N	315.215	1.557	50	20	DDGD	
CN1C(=O)CC[C@H]1CC(=O)NNc1ncc(Cl)cc1Cl	832395038	FHXHQPAXXIPPRJ-QMMMGPOBSA-N	317.176	1.842	50	20	DDGD	
COc1cc(C(=O)NNc2cc(C)ncn2)cc2c1O[C@@H](C)C2	734255627	PNARYEODJSELTH-JTQLQIEISA-N	314.345	1.874	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNc1ncnc2ccsc12	839704999	HCYWJARAHRVPIZ-QMMMGPOBSA-N	307.379	1.282	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)N[C@@H]1C[C@@H]1C1CCCCC1	836324507	NORBKELDDHILMG-ZIAGYGMSSA-N	317.393	1.808	50	20	DDGD	
CN1[C@H]2CC[C@H]1CC(NC(=O)NNc1ncncc1Cl)C2	836625777	VGILOBSVCZAEKG-UWVGGRQHSA-N	310.789	1.381	50	20	DDGD	
Cc1ccc(Nc2cccc(C(=O)NN(C)C[C@H](C)O)c2)nn1	910162000	CIWIJTXFXGESRX-LBPRGKRZSA-N	315.377	1.486	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)c1	837506375	GKGQGWQEQBSADJ-SFGNSQDASA-N	304.737	1.665	50	20	DDGD	
O=C(NNc1cccc(Br)n1)NC1CCOCC1	837739321	UKLHVULSJOTNTB-UHFFFAOYSA-N	315.171	1.649	50	20	DDGD	
COC[C@]1(CO)CCN(/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)C1	832401512	ZUSAUTNEIBXGQU-OBHDYHNASA-N	317.345	1.790	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CCCC2)ccc1-n1cncn1	742046294	SJSOCQGEITUKDA-UHFFFAOYSA-N	313.361	1.527	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(N(C)c2ccccc2)nc1	910169376	CBURPGXJWGRRQW-ZDUSSCGKSA-N	314.389	1.807	50	20	DDGD	
COC(=O)NNC(=O)Nc1cccc(CN2CCCC2=O)c1	915345524	JCAYKXWOODCJTG-UHFFFAOYSA-N	306.322	1.202	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1CCCS1	743290774	AIDCYLPZPCPLDG-JTQLQIEISA-N	304.375	1.299	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CCC(=O)C1	843753736	KGRRBXMISLCBDM-UWVGGRQHSA-N	308.309	1.110	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCCC[C@H]2CN)cc1	841948396	KEZTXTIPQRBHKH-UONOGXRCSA-N	315.377	1.020	50	20	DDGD	
O=C(NNc1cnccn1)[C@@H](C[C@H]1CCCO1)C(F)(F)F	845955403	OATDBWPMGGTPCE-RKDXNWHRSA-N	304.272	1.667	50	20	DDGD	
Cc1c(C(=O)NNC(=S)NCCc2cccs2)cnn1C	913901386	WJKUODUJEULLEX-UHFFFAOYSA-N	323.447	1.142	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H](C)Cc2ccccn2)n1	848671047	RWMQJPZXGWAIDD-LLVKDONJSA-N	301.350	1.743	50	20	DDGD	
Cc1c(C(=O)NNc2nccn(C)c2=O)cnc2ccccc12	748853817	CQBRDEWMPFCMNE-UHFFFAOYSA-N	309.329	1.394	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(Cl)c1	840444420	GDKRPKDBJHVVDF-GMSGAONNSA-N	312.713	1.466	50	20	DDGD	
CN(NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)C(N)=O	843844099	FXZQHRZSAGFSOF-SNVBAGLBSA-N	314.386	1.065	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@H]1CCn2ccnc2C1	749259427	WVOYINNQRZBUJI-VIFPVBQESA-N	314.374	1.594	50	20	DDGD	
CSc1c(F)cccc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843656409	PGWQYFXVZWZUGX-RKDXNWHRSA-N	312.366	1.734	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccc(-n3cccn3)nc2)cc1	748118028	WBEFSPJVHGYCJP-UHFFFAOYSA-N	304.313	1.896	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1nc2ccccc2s1	748136575	NEGKLFGPROMXMU-UHFFFAOYSA-N	316.386	1.759	50	20	DDGD	
CC1(C)CC[C@H]1NCC(=O)NNC(=O)c1cccc(C#N)c1	846961499	SNLWRIUYTJEGEE-CYBMUJFWSA-N	300.362	1.097	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H](c1ccccc1)C1CC1	843663774	YGDNWLXHQNTNJQ-NILFDRSVSA-N	302.374	1.753	50	20	DDGD	
C[C@H](CN)CNC(=O)NNC(=O)c1ccc(Cl)cc1Cl	841962887	MPRRUMUZDIIOFT-SSDOTTSWSA-N	319.192	1.532	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H]1CCCN(Cc2cccnc2)C1	749170234	BNKKSCNVOHWHTJ-AWEZNQCLSA-N	318.421	1.487	50	20	DDGD	
C[C@H](C#N)Oc1ccc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	842554044	IJAKZOAOENKPSQ-LALPHHSUSA-N	301.346	1.853	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(OCC(F)(F)F)cc1	910170536	LJPLIBHERYIVOW-VIFPVBQESA-N	306.284	1.585	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1ccc2c(c1)COC2	743436339	JEJQDSVXWIKXGT-UHFFFAOYSA-N	301.346	1.179	50	20	DDGD	
CC(=O)c1cccc(CNS(=O)(=O)CBr)c1	848460855	PYODQTVCBBJAKS-UHFFFAOYSA-N	306.181	1.661	50	20	DDGD	
CCO[C@@H](C)c1ncc(C(=O)NNC(=O)c2ccncc2)s1	742463276	PTAFGYNQMXKVJU-VIFPVBQESA-N	320.374	1.710	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)[C@]2(O)CCOC2)C1	912581764	JMNBSOCDZNBKPG-DOMZBBRYSA-N	315.486	1.761	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1cccc2c1CCCN2	841996613	VWNWAUXLUJPTGQ-UHFFFAOYSA-N	304.394	1.921	50	20	DDGD	
CCc1c(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cnn1CC(C)C	843663924	ZNOBSKFKQXZDHM-NWDGAFQWSA-N	322.409	1.288	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)CC(F)(F)F)c1ccco1	746771579	UEZZPWVVFKBCSX-ZETCQYMHSA-N	309.244	1.250	50	20	DDGD	
Cc1cncc(C(=O)NNC(=O)COc2ccc(F)cc2)c1	742478052	MKOZABLINHDVHK-UHFFFAOYSA-N	303.293	1.369	50	20	DDGD	
CN(CCO[Si](C)(C)C(C)(C)C)CCS(=O)(=O)N(C)C	844345346	QIAQUIKRSXMVEP-UHFFFAOYSA-N	324.563	1.831	50	20	DDGD	
CSc1nc(C(=O)NNC(=O)c2ccc[nH]2)c2ccccn12	920287796	MIMULLHHULCFOD-UHFFFAOYSA-N	315.358	1.459	50	20	DDGD	
C[C@@H](OC[C@H]1CCCCO1)C(=O)NNC(=O)CC(F)(F)F	921203420	JJXSJVRQIUUVSN-RKDXNWHRSA-N	312.288	1.060	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)N[C@@H]1CCN(CC(F)F)C1	922923436	NIMOAAZFZREGFG-SECBINFHSA-N	320.290	1.930	50	20	DDGD	
CS(=O)(=O)/C(C#N)=C\c1cc2c(cc1[N+](=O)[O-])OCCO2	920388122	VALFHVHABZAANM-WTKPLQERSA-N	310.287	1.275	50	20	DDGD	
CCNc1nc(C(=O)NNC(=O)NCC(F)(F)F)cs1	847116355	OAAQEMHYDUMALD-UHFFFAOYSA-N	311.289	1.081	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccoc2C)cc1	921159914	PPJCXIMAODBDLN-UHFFFAOYSA-N	301.302	1.296	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@@H]1CCc2nnc(C)n2C1	855366427	FRVVXWLGUHQZLP-LLVKDONJSA-N	303.341	1.740	50	20	DDGD	
COCCn1ccc(NC(=O)NNc2ncc(Cl)cn2)n1	856831211	DBTLQNYYFWIDTH-UHFFFAOYSA-N	311.733	1.122	50	20	DDGD	
Cn1ccnc(NNC(=O)[C@H]2CC[C@H](C3CCC3)CC2)c1=O	857144427	KIJJXOMNRAWNFF-JOCQHMNTSA-N	304.394	1.830	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H](C)CN(CC)CC)cc1	921122845	YJPPNXXLIBTJOT-CYBMUJFWSA-N	320.437	1.923	50	20	DDGD	
O=C(CC1CCCC1)NCC(=O)NNC(=O)NC1CCCCC1	751289865	HBFNMXBDRZUHLF-UHFFFAOYSA-N	324.425	1.346	50	20	DDGD	
CC[C@H](C)N(C)CCNC(=O)NNC(=O)c1cc(C)cs1	858194685	KFOHMBCCFYQXQC-NSHDSACASA-N	312.439	1.731	50	20	DDGD	
CN(C)C(=O)C1CCC(C(=O)NNC(=O)OC(C)(C)C)CC1	854164262	ZJHWRRKQETUYJU-UHFFFAOYSA-N	313.398	1.437	50	20	DDGD	
COC(=O)c1csc(NC(=O)NNC(=O)c2ccncc2)c1	757680409	PTXTYAHYKNBPAT-UHFFFAOYSA-N	320.330	1.396	50	20	DDGD	
Cc1cc(C)cc(CNC(=O)NNC(=O)c2cnn(C)c2)c1	852537931	QSQMUVCXOSNXQG-UHFFFAOYSA-N	301.350	1.181	50	20	DDGD	
CC(C)CN1CC[C@@H](CNC(=O)NNC(=O)CC(F)(F)F)C1	757302055	DBONCIVWLLSSDF-JTQLQIEISA-N	324.347	1.247	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCS[C@@H](C)CC2)cc1	755197912	ASYNGZWPGCWNGU-ZDUSSCGKSA-N	321.446	1.583	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NNc1ccc(C)c(F)c1	853934384	ULOLLLAJDNPPCF-YPMHNXCESA-N	308.357	1.675	50	20	DDGD	
Cc1ncc(C=NNC(=O)c2cnn(C)c2)n1-c1ccccc1	755732378	WOARUHQCTJMCCY-UHFFFAOYSA-N	308.345	1.678	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]32)nc(C)n1	857130532	JNXJBXHACQCTQU-XQQFMLRXSA-N	317.393	1.231	50	20	DDGD	
Cc1nn(C)c(C)c1[C@H](C)C(=O)NNC(=S)N[C@@H](C)C1CC1	855102188	HPLLUCHBTNUBNG-IUCAKERBSA-N	323.466	1.434	50	20	DDGD	
CN(C)C1(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)CC1	854249315	BVYPKNLKZPKEHP-UHFFFAOYSA-N	321.446	1.872	50	20	DDGD	
COC1(C(C)=NNC(=O)c2cccc(S(C)(=O)=O)c2)CCC1	853288486	BTESUHPHKFMHJZ-UHFFFAOYSA-N	324.402	1.765	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CCc2ccccc2)nn1C	757752436	DPXVWIIQIADPLD-UHFFFAOYSA-N	301.350	1.514	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1ccc(-n2ccnn2)cc1	756312883	DGUPNVMGOVGJEW-UHFFFAOYSA-N	323.316	1.129	50	20	DDGD	
CC(C)(C)N1CC[C@@H](NC(=O)NNc2cncc(Cl)n2)C1	854314504	OGEOSIJQMFYWEA-SECBINFHSA-N	312.805	1.629	50	20	DDGD	
COC(=O)NCCNC(=O)NNc1ccc(Cl)c(C)c1	922775472	KOHOLCFJWAIQQW-UHFFFAOYSA-N	300.746	1.631	50	20	DDGD	
C=CCOC[C@@H]1NC(=O)N(C[C@]2(C)C[C@H]2Br)C1=O	857227792	UQDBNMCQCKHGCS-SBMIAAHKSA-N	317.183	1.283	50	20	DDGD	
COC(=O)[C@H]1CC[C@H](C(=O)NNc2ncc(Cl)cn2)CC1	857357923	IPKCDBQXEYSFIQ-KYZUINATSA-N	312.757	1.553	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)C2CCSCC2)C[C@@H]1Br	857249095	ANDXVNKUPYQIER-JOYOIKCWSA-N	320.252	1.988	50	20	DDGD	
CCN1CCCN(C[C@H](CBr)C2CC2)CC1=O	859271500	CSVOQIOBSOGXCI-LBPRGKRZSA-N	303.244	1.962	50	20	DDGD	
COC(=O)N(C)CCNC(=O)c1c(C)nn(CCCl)c1C	855940212	AYTMGOQMQDFBPR-UHFFFAOYSA-N	316.789	1.167	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)C2CCCC2)c(F)c1	756404307	VDTNYKJPAUEPIY-UHFFFAOYSA-N	323.324	1.955	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CCCC2)n(C2CCOCC2)n1	858427743	HZRGHUJGCMVTRJ-UHFFFAOYSA-N	320.393	1.494	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)NCCc2cccs2)O1	756922544	SKKFNFMXAMQASS-PWSUYJOCSA-N	311.407	1.579	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@H]1CC12CCC2	759687844	BWTZSBJXCUFXKI-NSHDSACASA-N	304.346	1.412	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2ccc(C(C)C)cc2)n[nH]1	869011182	MBUINLWBUWYFEE-UHFFFAOYSA-N	300.362	1.845	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNc1ccc(-n2ccnc2)nn1	861693557	AOGNOAITFFSJPU-LLVKDONJSA-N	304.354	1.311	50	20	DDGD	
O=C(CC1CCCC1)NCC(=O)NNc1nc2ccccc2[nH]1	768495173	KHGBUTWZENIULH-UHFFFAOYSA-N	315.377	1.703	50	20	DDGD	
O=C(NN=Cc1ccsc1C(F)(F)F)C(=O)NC1CC1	863076786	XJXWGXKPMMXZPQ-UHFFFAOYSA-N	305.281	1.496	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CNc1cccc(C(F)(F)F)c1	768256755	XUUXAPJQXUUXEC-UHFFFAOYSA-N	319.283	1.036	50	20	DDGD	
CCc1cccc(NC(=S)NNC(=O)c2cc(C)[nH]n2)c1	764496847	DXXXUWWIAAYISH-UHFFFAOYSA-N	303.391	1.912	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2cc3c(nc2O)CCC3)c1	862478292	UZOGPUFZDFEKQB-UHFFFAOYSA-N	317.370	1.721	50	20	DDGD	
Cc1cc(=NC(=O)NNCC(F)(F)C(F)(F)F)c(C)c[nH]1	860851039	NDBJELNBNPIUPM-UHFFFAOYSA-N	312.242	1.944	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1)c1ccnn1C	766002251	LSTVDCWWHQHEOH-UPJWGTAASA-N	321.425	1.006	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2ccn(C)c2)c1	763120688	IGRRWDIHKLKDPM-UHFFFAOYSA-N	303.318	1.117	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(Br)cc(OC)c1	930732061	WZACFAJNEYGHMG-UHFFFAOYSA-N	316.155	1.422	50	20	DDGD	
Cc1cc(C)c(C=NNC(=O)CNC(=O)c2cccs2)[nH]1	760249457	VRLCJAPDDRUAAN-UHFFFAOYSA-N	304.375	1.573	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H](C)[C@@H]1CCC(=O)N1	861514384	CDDSHWFYGMPHIL-PWSUYJOCSA-N	304.350	1.062	50	20	DDGD	
Cc1ccc([C@H](C)C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1	863082553	NEPGLZZZENLCFS-TZMCWYRMSA-N	323.418	1.571	50	20	DDGD	
N#Cc1cccc(NNC(=O)[C@]2(C3CCCC3)CCNC2=O)c1	860313665	LQKGDAKZJLGZKH-KRWDZBQOSA-N	312.373	1.698	50	20	DDGD	
Cc1cccc(CO[C@@H](C)C(=O)NNC(=O)NCC2CC2)c1	865015702	HKSOSUWJDYTYQC-LBPRGKRZSA-N	305.378	1.641	50	20	DDGD	
CC(C)Cn1nccc1C(=O)NNCC(F)(F)C(F)(F)F	863101817	IRGGVGSKYMZHHX-UHFFFAOYSA-N	314.258	1.971	50	20	DDGD	
Cc1ccc([C@H](C)C=NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1	863090404	KSNSNWFJWGPBLA-VXGBXAGGSA-N	311.407	1.138	50	20	DDGD	
COc1ccc(CC(=O)NNCC(F)(F)C(F)(F)F)nc1	863100238	RHNGCUJIVSZXKS-UHFFFAOYSA-N	313.226	1.451	50	20	DDGD	
CNc1c(C(=O)NN=c2cc[nH]cc2Cl)cccc1[N+](=O)[O-]	765858013	DSWWVXVEWCNZGG-UHFFFAOYSA-N	321.724	1.864	50	20	DDGD	
CCC[C@H]1C[C@H](C(=O)NNC(=O)Cc2cc(C)[nH]n2)CCO1	869015306	PGNVZPZECMHPKJ-YPMHNXCESA-N	308.382	1.003	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)C2(C)COC(C)(C)OC2)c1	862477134	CNAKXSNUEXXNHB-UHFFFAOYSA-N	312.391	1.607	50	20	DDGD	
O=C(NNc1cccnn1)[C@@H]1CCCCN1Cc1ccncc1	1116562206	ARNBNAIIFIMHTL-AWEZNQCLSA-N	312.377	1.369	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NNc1cc(Cl)ccc1F	871272609	WCYIIIGTDCKREZ-UHFFFAOYSA-N	308.762	1.747	50	20	DDGD	
C[C@H]1CN(C[C@@H](C)C(=O)NN=C2CCO[C@H](C)C2)C[C@H](C)O1	773191408	QZZZAVHASUIHGX-MQYQWHSLSA-N	311.426	1.403	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc2nc(C)ccc2o1	772089598	QPVQUNWUUYFGCQ-SECBINFHSA-N	319.317	1.239	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1c(C)cc(C(F)(F)F)cc1C	873802816	WJZSCUXPSGXQMK-UHFFFAOYSA-N	317.267	1.428	50	20	DDGD	
CC(C)NC(=O)Nc1ccc(C(=O)NNc2ccn(C)n2)cc1	1116851914	DICRYNNDDDQVLA-UHFFFAOYSA-N	316.365	1.707	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Cc2ccccc2CO)cc1	779726173	XLVAXCSGXHISPR-UHFFFAOYSA-N	312.369	1.745	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2nc3ccccc3s2)CCC1	874913729	JAPNZUURYFGRMY-UHFFFAOYSA-N	319.386	1.874	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)CCc2ccccc2)nn1C	1116525265	DEOQKKVAOBQJMU-UHFFFAOYSA-N	300.362	1.376	50	20	DDGD	
C[C@@H]1CN(C)C[C@@H](C(=O)NN=CC2([C@H]3CCCCO3)CCC2)O1	872389395	IWNAHQSCLUQXTG-QLFBSQMISA-N	323.437	1.547	50	20	DDGD	
Cc1nsc(C)c1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1117732972	BQFCJHJIWPEIHS-UHFFFAOYSA-N	319.390	1.437	50	20	DDGD	
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NNC(=O)c1ccccn1	1116170008	PMPQLQYHOSIIFC-SECBINFHSA-N	301.350	1.061	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cccc(Cl)c2O)n1	775643214	NZSXHAOVFDNNMA-UHFFFAOYSA-N	322.752	1.320	50	20	DDGD	
CC[C@H](C)[C@@H](C)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	772257897	TXXYCUJSABFPAS-QJPTWQEYSA-N	300.399	1.794	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)NC[C@@H]1C=CCC1	883781798	RPMGUHIQRZILOL-LLVKDONJSA-N	309.391	1.682	50	20	DDGD	
O=C(CO)NN=Cc1cnn(-c2ccc(Br)cc2)c1	776780570	KQTHRXPOCRXWGO-UHFFFAOYSA-N	323.150	1.077	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)N2[C@@H](C)CC[C@H]2C)cc1O	882048996	WBEGGBQKRULGCS-XQQFMLRXSA-N	319.405	1.723	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	777881662	HCDJFTRQJYGJTA-LLVKDONJSA-N	324.377	1.528	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@](C)(O)c1cccc(F)c1	1121868336	METQYWMXXASPMK-HNNXBMFYSA-N	311.357	1.410	50	20	DDGD	
C[C@H]1CCS(=O)(=O)CCN1C(=O)C1CCC(Cl)CC1	1123852495	OMXMCOXUDJXOSH-UNXYVOJBSA-N	307.843	1.820	50	20	DDGD	
CC(C)/C=C/c1cn(CC(=O)NNC(=O)c2ccccc2)nn1	880996923	LJDQUUABDPAQOT-CMDGGOBGSA-N	313.361	1.409	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCC(=NNC(=O)c2ccccc2O)C1	788409449	YITBUUUXISENEA-NSHDSACASA-N	310.375	1.465	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2ccccc2)ccc1F	782118706	UWODHMOMLRXDET-UHFFFAOYSA-N	303.293	1.916	50	20	DDGD	
O=C(CN1CCCC2(CCCCC2)CC1)NNC(=O)C1CC1	787337527	QBFYSYUGNJMWLY-UHFFFAOYSA-N	307.438	1.980	50	20	DDGD	
O=C(NNc1ncncc1Cl)N[C@H]1CCc2c[nH]nc2C1	781002578	HDIJSPGUFKIHAM-QMMMGPOBSA-N	307.745	1.037	50	20	DDGD	
CCOC(=O)C1(CC(=O)NNC(=O)c2ccccc2C)CCC1	788672452	WKMZUDIXQWLXSE-UHFFFAOYSA-N	318.373	1.880	50	20	DDGD	
Cc1sc(CC(=O)NNC(=O)NCC2CC2)nc1C(C)C	789909919	ROMSMHZVPZHZPB-UHFFFAOYSA-N	310.423	1.858	50	20	DDGD	
Cc1ccc(C)c(NC(=O)C(=O)NNc2ncc(F)cn2)c1	784957245	OPVPGCOQPCVHFA-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NCCC#N	787354500	MCROQQSKWMRHIP-SECBINFHSA-N	310.741	1.351	50	20	DDGD	
C=C[C@@H]1CCCCN1CC(=O)NNC(=O)c1ccc(C)cc1	785997271	KIVIDCFKBCNSDF-OAHLLOKOSA-N	301.390	1.797	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)c2cccc(OC(F)F)c2)CO1	784092711	AVIMBDFVZHQCJU-PSASIEDQSA-N	314.288	1.474	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@H]1OCCc2ccccc21	899996909	YBKQHDVZGAKIDA-LBPRGKRZSA-N	307.419	1.594	50	20	DDGD	
COC1(C(=O)NNc2ccc(Br)nc2)CCC1	782118945	ZYBNQFBQJLQTIT-UHFFFAOYSA-N	300.156	1.856	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)NNc1nccc2sccc12	894964456	QZCXUGIVSMGEKE-SNVBAGLBSA-N	304.375	1.750	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2	785419519	KKSBGJLKFRFWRA-FNCVBFRFSA-N	320.246	1.415	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCc2cccnc2C)o1	898928018	CKCYPSQBHRVLMZ-UHFFFAOYSA-N	302.334	1.478	50	20	DDGD	
CC(C)[C@@H](CC(F)(F)F)NCC(=O)NNC(=O)C(C)(C)C	782652398	DPQCBBHFKJJNFM-SECBINFHSA-N	311.348	1.747	50	20	DDGD	
CN(C(=O)/C(C#N)=C/c1cc(C(=O)O)nn1C)C1CCCCC1	899356730	RNEREXDCQOMXGU-DHZHZOJOSA-N	316.361	1.816	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc(C)c(O)c1O	780935082	PPJDIEFRAIEWPW-UHFFFAOYSA-N	316.313	1.490	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)[C@H]1CCC(=O)c2cccn21	790618645	MPVVXHDXFDDKCQ-CYBMUJFWSA-N	303.362	1.733	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCc1nnn(CC(F)(F)F)n1	799516353	RVOAGYRXOOIQAC-FPYGCLRLSA-N	301.228	1.139	50	20	DDGD	
O=C(NN=C1CCC[C@@H](c2cccnc2)C1)C(=O)NC1CC1	799871548	AZIMHZIGEFYEAF-LLVKDONJSA-N	300.362	1.490	50	20	DDGD	
CCc1cccc2c1OCCC2=NNC(=O)C(=O)NC1CC1	794887728	XWJUAVCDOBZMIF-UHFFFAOYSA-N	301.346	1.130	50	20	DDGD	
COc1ccc2c(c1)OC[C@H](C(=O)NNC(=S)NC(C)C)C2	1318074208	JQBBNOUQOGTJPY-LLVKDONJSA-N	323.418	1.150	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(C(N)=O)nn1)c1ccc(F)c(F)c1	1319143043	QHTUZFYSTDTILA-SSDOTTSWSA-N	321.287	1.101	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](C)c1ccc(F)cc1F	1319083487	LPXHMQZVHZWXCD-ZETCQYMHSA-N	308.288	1.561	50	20	DDGD	
Cc1cc(C(=O)NNc2ccccc2S(C)(=O)=O)c(C)nn1	1320449003	PWVURYPGGMWDIW-UHFFFAOYSA-N	320.374	1.254	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC(Nc2ccccc2)CC1	1322853146	OVJXRKBICXSEJW-ZDUSSCGKSA-N	318.421	1.509	50	20	DDGD	
COc1cnc2ccccc2c1C(=O)NNC(=S)NC(C)C	1325247485	PIBBCBNVEHHHJI-UHFFFAOYSA-N	318.402	1.761	50	20	DDGD	
Cc1cc(Cl)cc(C)c1NC(=O)C(=O)NNC(=O)C1CCC1	1320391336	GJQLDQHCPROHQK-UHFFFAOYSA-N	323.780	1.843	50	20	DDGD	
O=C(NN=C1CC(=O)N2CCCC[C@H]12)c1n[nH]c2c1CCCC2	1321668654	PALQTXGLVPNDEU-CYBMUJFWSA-N	315.377	1.159	50	20	DDGD	
COc1cc(OC)cc([C@@H](NC(=O)CCl)c2nccn2C)c1	1320466866	SNZGIICPIKODNB-CQSZACIVSA-N	323.780	1.882	50	20	DDGD	
CCc1onc(C)c1NC(=O)C(=O)NNc1cc(C)nc(C)n1	1324336791	VEDLLNHCEMLWNE-UHFFFAOYSA-N	318.337	1.034	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC2(C)CCOCC2)cc1	1253891736	LXMBKMCKMZGXCD-UHFFFAOYSA-N	321.377	1.456	50	20	DDGD	
O=C(CCO)NN=C1CCC2(CC1)C(=O)Nc1ccccc12	1339925435	ORQFOHZLFAJHQE-UHFFFAOYSA-N	301.346	1.305	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)C2CCOCC2)[C@@H](C)C1	1333216587	YHMZYSAVDCWQRX-AAEUAGOBSA-N	310.394	1.885	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1CCCC[C@@H]1N(C)C	1251775566	UJSDCLHCYMTTNN-GJZGRUSLSA-N	318.421	1.812	50	20	DDGD	
CN(C)[C@@H](C(=O)NNc1cccnn1)c1cccc(Cl)c1	1342263901	SPYAWDSUUHEVFA-CYBMUJFWSA-N	305.769	1.876	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNC(=O)c1n[nH]c2c1CCCC2	1347319716	KILPUJGVJALXFK-UHFFFAOYSA-N	322.368	1.274	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@H]1CCCCN1C	1340856048	FOTGEBJAQCEDQQ-CYBMUJFWSA-N	312.845	1.953	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1c(Cl)cccc1N(C)C	1341997368	RZJNKFMQYZHCIF-UHFFFAOYSA-N	312.757	1.212	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc(F)c(-c2nn[nH]n2)c1	1609079420	TZBXZOUVEHAMIA-UHFFFAOYSA-N	322.300	1.175	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C1CCC1	1609070845	QGTJDHRVSWADCU-SECBINFHSA-N	314.349	1.064	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H](C)CN2CCCCC2)[nH]c1C(=O)O	1607633721	UEVPCRAXOALUNW-GFCCVEGCSA-N	320.393	1.593	50	20	DDGD	
C=CCOCCCNC(=O)NNc1cccc(-c2nn[nH]n2)c1	1602869991	GVODTNDTRXMZKP-UHFFFAOYSA-N	317.353	1.086	50	20	DDGD	
Cc1cccc(NNC(=O)c2ccc(-c3nn[nH]n3)c(C)n2)n1	1605919525	DKIRPTSOGXQOAJ-UHFFFAOYSA-N	310.321	1.030	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1nccc2occc12	1606857890	VTOVWRXZGVPQNW-UHFFFAOYSA-N	321.300	1.765	50	20	DDGD	
Cc1cc(C(=O)NNc2nncc(N)c2Cl)oc1C(=O)O	1600096598	ULFHKLFANINDRH-UHFFFAOYSA-N	311.685	1.069	50	20	DDGD	
O=C(NNC(=O)C(=O)O)N[C@@H](CC1CCC1)c1ccccc1	1610699134	IXDVTUZFDVDWOD-LBPRGKRZSA-N	305.334	1.333	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccc(C(=O)O)[nH]2)cc1Cl	1610629132	NQLOTQJFDYYTKD-UHFFFAOYSA-N	304.693	1.995	50	20	DDGD	
O=C(NCC1(C(=O)O)CCCCC1)NNc1ncccc1F	1610689376	UPKRYCWMBSJCET-UHFFFAOYSA-N	310.329	1.882	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1Cc2c(F)cc(C)cc2N1	1579329644	ZGGRXNXDDSJAKI-LBPRGKRZSA-N	317.324	1.413	50	20	DDGD	
O=C(C[C@H]1CNc2ccccc21)NNC(=O)N=c1cc[nH]cc1	1580518324	ZISPFFRQDFDNBL-NSHDSACASA-N	311.345	1.256	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H]1C[C@H](C(=O)O)c2ccccc21	1588843144	AIFCUOLDHDEINO-QWHCGFSZSA-N	319.361	1.676	50	20	DDGD	
C=C(CBr)COC(=O)c1cnc(C(=O)O)cn1	1588605632	LRGWHVRDVVCDRO-UHFFFAOYSA-N	301.096	1.283	50	20	DDGD	
C=C1CC(C(=O)N2CCCC23CN(C(=O)[C@H](F)Cl)C3)C1	1841018475	MSXMQUKIZILPRM-NSHDSACASA-N	300.761	1.690	50	20	DDGD	
N#Cc1ccc(C(=O)O)c(C=NNC(=O)NCc2ccco2)c1	1776039046	GZFGJZMHYLBURM-UHFFFAOYSA-N	312.285	1.683	50	20	DDGD	
CNc1nc(C(=O)NNC(=O)Cc2ccccc2OC)cs1	161398740	GKVDZJWQDAIDRN-UHFFFAOYSA-N	320.374	1.197	50	20	DDGD	
COC(=O)NNC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1	158775148	OUCIKUBTSGBZOA-ZJUUUORDSA-N	313.151	1.940	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)NCC2CC2)cccc1[N+](=O)[O-]	163045330	LBBPTHLOYICPPI-UHFFFAOYSA-N	306.322	1.186	50	20	DDGD	
Nc1ccc(C(=O)NNc2cnc3ccccc3n2)cc1[N+](=O)[O-]	163569003	UZOFECHYZIRFSB-UHFFFAOYSA-N	324.300	1.877	50	20	DDGD	
CS[C@H](C)CNC(=O)NNC(=O)c1cccc2ncccc12	163830070	DZFLHPJLOFFIEY-SNVBAGLBSA-N	318.402	1.930	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)c2ccc3c(c2)CCCC3)nn1	154273736	ZWQAVJDJWZSHQQ-UHFFFAOYSA-N	311.345	1.211	50	20	DDGD	
Cc1ccc(Br)c(C(=O)NNC(=O)CN(C)C)c1	159713335	LSZPGKCNUYDSEA-UHFFFAOYSA-N	314.183	1.080	50	20	DDGD	
O=S(=O)(CCCCl)NC1CCN(C2CCCC2)CC1	881966384	WXGLRFRTTNRIRF-UHFFFAOYSA-N	308.875	1.942	50	20	DDGD	
CC(C)(C)OC(=O)NNS(=O)(=O)c1cncc(Cl)c1	274035541	CGXOQGQXOSLVNU-UHFFFAOYSA-N	307.759	1.453	50	20	DDGD	
NC(=O)C1CCN(S(=O)(=O)c2ccc(CCl)cc2)CC1	312589204	UWWCOITXIDQLKE-UHFFFAOYSA-N	316.810	1.311	50	20	DDGD	
COC(=O)[C@@H](C)CN(C)S(=O)(=O)c1ccc(CCl)cc1	383244576	GLUKOXQUVINIJP-JTQLQIEISA-N	319.810	1.855	50	20	DDGD	
O=C(Cc1cccs1)NNc1nc(-c2ccncc2)no1	102159140	XOPSTRQNBHMPMA-UHFFFAOYSA-N	301.331	1.879	50	20	DDGD	
CC(=O)N1CCC[C@H]1C(=O)NNC(=O)CCCc1ccccc1	57691665	HQHFDQQCZHNIGT-HNNXBMFYSA-N	317.389	1.168	50	20	DDGD	
CC(=O)NNC(=O)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1	58832345	CPNWQJVEUURESU-AWEZNQCLSA-N	317.389	1.323	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(N(C)C)cc2)n1	175389213	APXZBZYRKVLQBN-UHFFFAOYSA-N	301.350	1.617	50	20	DDGD	
O=C(NCc1ccc(F)c(Cl)c1)NNC(=O)[C@@H]1CCCO1	102046086	MWGXGQCDUPRBFN-NSHDSACASA-N	315.732	1.489	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCSc1ccccc1	109996348	WGPYAJXUIQCEKN-UHFFFAOYSA-N	304.375	1.662	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@H](C)C(=O)NNC(=O)c1ccncc1	172910988	FIQSCTKENKLQGU-JTQLQIEISA-N	315.377	1.072	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccc2ncsc2c1	175788976	IEWVHJIWAAUOKW-UHFFFAOYSA-N	312.354	1.695	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)Cc2cccnc2)cc1F	103504407	LODYVYZVKWBHME-UHFFFAOYSA-N	316.336	1.602	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H]1C[C@]12CCc1ccccc12	174667112	VAGBWNRMPNIAJO-PBHICJAKSA-N	317.389	1.257	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2ccc(C)cc2)c1	60934825	HBPMOBZTJGVWEY-UHFFFAOYSA-N	313.357	1.877	50	20	DDGD	
CCN(CC)CC(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	63090861	YHNMRNILUJDACB-UHFFFAOYSA-N	315.377	1.180	50	20	DDGD	
O=C(NCc1cccc(CO)c1)NNc1ccc(Cl)nn1	171711370	PYWQPGXDOVGBAQ-UHFFFAOYSA-N	307.741	1.449	50	20	DDGD	
C=CCOc1ccccc1CNC(=O)NNC(=O)c1ccc[nH]1	111886043	QPGNPFCKMWIEKI-UHFFFAOYSA-N	314.345	1.724	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)Nc1cccnc1Cl	65772911	SBUZFGHPGSLIDG-UHFFFAOYSA-N	306.709	1.907	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)c2cccnc2)c1	172924768	AAOFJELXRBFRJS-UHFFFAOYSA-N	300.274	1.373	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCCOCC(F)(F)F	171461690	DXTYZAZKKMOPDS-UHFFFAOYSA-N	313.320	1.722	50	20	DDGD	
O=C(NNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)NC1CC1	64900315	WQHYCRNGVCFTIC-UHFFFAOYSA-N	303.278	1.183	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](c1ccccc1)C1CCC1	66703714	BJORCFQXBKHDKX-HNNXBMFYSA-N	305.378	1.895	50	20	DDGD	
CC(=O)N[C@@H](C)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	125154196	WOPWYJRCBSZURS-LURJTMIESA-N	300.702	1.216	50	20	DDGD	
O=C(COc1ccccc1)NNC(=O)Cc1ccccc1F	66785305	AZPAQBHDRAIZNQ-UHFFFAOYSA-N	302.305	1.595	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCCC2)NNC(=O)c1cccnc1	78899724	ZYTPVKPZRVSLNN-UHFFFAOYSA-N	309.369	1.964	50	20	DDGD	
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NNc1cc(Cl)ccn1	180897729	RHAVQGNGQSQUAR-DTWKUNHWSA-N	313.789	1.664	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)Nc1cnn(CC2CC2)c1	186296057	NSFDPYWOCQXWFD-UHFFFAOYSA-N	315.333	1.465	50	20	DDGD	
Cc1cc2c(cc1C)[C@@H](C(=O)NNC(=O)c1cccn1C)CO2	184865845	WOIUIICBNCYSNO-ZDUSSCGKSA-N	313.357	1.579	50	20	DDGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)C1(O)CCC1	186180089	GRRJGPIIWFVCJK-UHFFFAOYSA-N	308.725	1.748	50	20	DDGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCC#N)c1C	126783396	WQFOPGLIFMAGBG-IYVNWDGISA-N	300.362	1.859	50	20	DDGD	
Cc1ccnn1-c1ccc(C(=O)NNC(=O)C(C)(C)C)cc1	77219637	AWDFFIWJANLKAN-UHFFFAOYSA-N	300.362	1.988	50	20	DDGD	
COC(=O)NNC(=O)Cc1ccc(C)c(Br)c1	189913472	BPOWGRYFWAPRCP-UHFFFAOYSA-N	301.140	1.687	50	20	DDGD	
Cc1ccc2cccc(C(=O)NNC(=O)Cc3cc[nH]n3)c2n1	186136658	BDXGCVNZOTYMKC-UHFFFAOYSA-N	309.329	1.270	50	20	DDGD	
Cn1nc(C(=O)NNc2ccc(C#N)cc2)cc1OC(F)F	184767372	NNSSPCFVWAXMHK-UHFFFAOYSA-N	307.260	1.650	50	20	DDGD	
O=C(NCCC(=O)N1CCCCC1)NNC(=O)c1ccccc1	46233932	GFYFTNIWYIPXIC-UHFFFAOYSA-N	318.377	1.033	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N(C)C)c2c(C(C)C)noc2n1	194937359	DZKSUBOYZHSHEL-UHFFFAOYSA-N	305.338	1.571	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](C)c2cnn(C)c2C)o1	84153429	FNUVLBBJTZKUNE-SECBINFHSA-N	305.338	1.335	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)[C@@H]2CCCO2)c2ccccc21	42960407	FDCAUYBXJSZPMS-AWEZNQCLSA-N	301.346	1.601	50	20	DDGD	
O=C(CSCc1ccc([N+](=O)[O-])cc1)NNC(=O)C1CC1	131317654	MBSMZNVFKRHVFH-UHFFFAOYSA-N	309.347	1.385	50	20	DDGD	
CC[C@H](C)CC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	190578348	CILMAAIPVCZBEN-JTQLQIEISA-N	305.378	1.826	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CC[C@H](OCc2ccncc2)C1	194325255	URZOOGYSRHEXGQ-ZQHYZAEZSA-N	301.346	1.643	50	20	DDGD	
CCOCCCNC(=O)NNC(=O)COc1ccccc1CC	43024287	HNOIMZLNUNRYIG-UHFFFAOYSA-N	323.393	1.385	50	20	DDGD	
COc1nccnc1NNC(=O)COCCc1ccccc1	131863683	LMCMQHSFJUMSPA-UHFFFAOYSA-N	302.334	1.188	50	20	DDGD	
O=C(CCCNC(=O)C1CC1)NNc1ccccc1[N+](=O)[O-]	48136446	JADNTQVHMGAUHO-UHFFFAOYSA-N	306.322	1.344	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H](C)N2CCc3ccccc32)n1	195040385	DXYBGOSFULYVOA-LLVKDONJSA-N	313.361	1.380	50	20	DDGD	
Cc1cccc(NNC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1	192836509	HBHQXZIYRIXTLY-KBPBESRZSA-N	315.373	1.613	50	20	DDGD	
CCn1c2ccccc2c2cc(C=NNC(=O)C(N)=O)ccc21	254485218	KFKCJOOYXOAMKO-UHFFFAOYSA-N	308.341	1.750	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCCOCC2CC2)n1	266995755	WXYXRKVVGJKUFM-UHFFFAOYSA-N	309.370	1.236	50	20	DDGD	
CC[C@@H]1CN(C(=O)NNC(=O)C(C)(C)c2ccccc2)CCO1	264656680	IYUBEQUHYNHUHF-CQSZACIVSA-N	319.405	1.816	50	20	DDGD	
CC(C)N(C)S(=O)(=O)NNC(=O)C(C)(C)c1ccccc1	267019536	IMNPEOXZQVSMFE-UHFFFAOYSA-N	313.423	1.170	50	20	DDGD	
C=CC[C@H](C)NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	265423693	KNXMWWLXQNXBMA-GWCFXTLKSA-N	305.334	1.121	50	20	DDGD	
Cc1c(NNC(=O)CNCC(F)(F)F)cccc1[N+](=O)[O-]	269612496	PCWRCXIELJKXNX-UHFFFAOYSA-N	306.244	1.498	50	20	DDGD	
C=CCCCCNC(=O)NNC(=O)COc1ccccc1O	274541635	GMRBVUWHCLPARD-UHFFFAOYSA-N	307.350	1.458	50	20	DDGD	
CCNC(=O)N(C)NC(=O)/C=C/c1ccccc1OC(F)F	273032571	TXWZGRBCZSTEAL-CMDGGOBGSA-N	313.304	1.994	50	20	DDGD	
COc1ccc(COCCNC(=O)NNC(=O)C2CCC2)cc1	271475852	HPIRDBIUEPSMBC-UHFFFAOYSA-N	321.377	1.342	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)nc1	363736301	IQVHLUPQESJFGV-YUTCNCBUSA-N	320.393	1.920	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2CCO[C@H](C)C2)cc1	272017685	VDOUPAWEPCEWEO-TZMCWYRMSA-N	320.389	1.590	50	20	DDGD	
COc1ccc(Cl)cc1S(=O)(=O)NNC(=O)NC(C)C	278645294	ZRLVVVAYBQSTQR-UHFFFAOYSA-N	321.786	1.250	50	20	DDGD	
CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)N1CC=C(C#N)CC1	271138866	RRWNZLJHUUZWDX-VQEQIULKSA-N	319.430	1.926	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NNC(=O)c1ccccc1F	280832349	WZAASKWBXZNXLF-RISCZKNCSA-N	321.352	1.751	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(C)o2)c(C)c1OC	287317268	MAUZJAMLWPUUDX-UHFFFAOYSA-N	318.329	1.988	50	20	DDGD	
COC1(C(=O)NNc2ccc(C(F)(F)F)cn2)CCOCC1	286076720	MUBKRAOZCNORIV-UHFFFAOYSA-N	319.283	1.739	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)COc2ccccc2F)O1	282568539	FEQCHEXIEVBIHB-GPCCPHFNSA-N	310.325	1.165	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccoc1)C12CC3CC(CC(C3)C1)C2	285068189	JXZKELYFVVVRKW-UHFFFAOYSA-N	324.402	1.806	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C[C@@H]1CCCC(=O)N1)c1ccccc1	289537963	CIFVMFZRWHKPMG-UONOGXRCSA-N	317.389	1.386	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1ccc(Cl)cn1	285447474	ZDRDUUJWIYBJJS-UHFFFAOYSA-N	305.812	1.801	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCC(F)(F)F)c1ccc(F)cc1	281146187	HCUFCQJJLWWZPJ-UHFFFAOYSA-N	321.274	1.996	50	20	DDGD	
NC(=O)NNc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1	800721669	QKAUIMAJLTYMOE-UHFFFAOYSA-N	303.347	1.690	50	20	DDGD	
C[C@H](CBr)CN1CC[C@@H](C(=O)N2CCCC2)C1	805810201	ARHXEPVIXQMFIG-VXGBXAGGSA-N	303.244	1.962	50	20	DDGD	
CN(NC(=O)c1sccc1-n1cnnn1)C(=O)OC(C)(C)C	297748518	SIJACUCLIBIAGO-UHFFFAOYSA-N	324.366	1.236	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1cc(F)cc(Cl)c1	292601272	GBBOIYVBYYWAOE-JTQLQIEISA-N	301.705	1.811	50	20	DDGD	
Cc1ncc2n1CC[C@H](C(=O)NNc1cccc(Cl)n1)C2	293719808	PHKGSOZEIZWBQD-JTQLQIEISA-N	305.769	1.946	50	20	DDGD	
O=C(NNc1cnccn1)[C@H](O)c1cccc(C(F)(F)F)c1	803119185	SBAAIRHJCZFBJP-LLVKDONJSA-N	312.251	1.672	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)Nc1ccc(OC)cc1	802055671	QNEGDFFTFSZRMW-ZWNOBZJWSA-N	309.366	1.909	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1nn(-c2ccc(F)cc2)cc1O	294241079	SCOGGTYHWLGJPL-UHFFFAOYSA-N	318.308	1.278	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1cncs1	807330976	HWAKHFWUHUCHAI-UHFFFAOYSA-N	311.750	1.880	50	20	DDGD	
COc1ccc(OC)c(NC(=O)C(=O)NCC(Cl)Cl)c1	297197372	VSIGKOSYHBBFJR-UHFFFAOYSA-N	321.160	1.562	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1cc2ccccn2n1	806646863	VYYGHPXECWOBFY-UHFFFAOYSA-N	310.317	1.125	50	20	DDGD	
Cc1ccc(NC(=O)NNc2ccc(-n3ccnc3)nn2)nc1	806406149	UMYLLRRXCFDYMC-UHFFFAOYSA-N	310.321	1.514	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCCC(F)(F)C1	800284022	YOCJRCPHBBOADF-IUCAKERBSA-N	306.309	1.301	50	20	DDGD	
O=C(NNC(=O)c1ccc(O)nc1)Nc1ccc(Cl)cc1	802018693	NGWOGCXWONNIKH-UHFFFAOYSA-N	306.709	1.907	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCCS(C)(=O)=O)cc1	297111914	FWQGNFOHVFXVBS-UHFFFAOYSA-N	315.395	1.146	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1c(O)cccc1O	807780473	WHDLWKUIJSYQTC-UHFFFAOYSA-N	300.318	1.912	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)Cc1ccccc1OC	812479707	NXDYKAYLJZPITM-RYUDHWBXSA-N	308.378	1.304	50	20	DDGD	
CC(C)(C)c1csc(NC(=O)NNC(=O)c2ccnnc2)n1	817297536	WDSIPTQZMFYRQU-UHFFFAOYSA-N	320.378	1.697	50	20	DDGD	
CO[C@H]1CCC[C@@H](C(=O)NNC(=O)c2ccc(Cl)nc2)C1	814405575	ADXKVYQHJYSMDP-KOLCDFICSA-N	311.769	1.701	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cnnc(-c2ccccc2)c1	810776619	AGGJNKUKPAUUCN-UHFFFAOYSA-N	310.292	1.830	50	20	DDGD	
Cc1ccoc1CN(C)C(=O)NNC(=O)c1ccc(C#N)cc1	814291376	KCZCORXTKRAFDD-UHFFFAOYSA-N	312.329	1.946	50	20	DDGD	
Cc1nc2scc(C)n2c1C=NNC(=O)c1cnccn1	818286664	ZTBSTGOBLTXYIN-UHFFFAOYSA-N	300.347	1.567	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)Nc1ccc(OC)cc1	813576759	ZXGHVXHMDAXHIB-GHMZBOCLSA-N	309.366	1.767	50	20	DDGD	
NC(=O)NCCCCC(=O)NNc1cc(Cl)nc(Cl)c1	819742005	WRHJXPFWFVPIRU-UHFFFAOYSA-N	320.180	1.670	50	20	DDGD	
CN(NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)C1CC1	819645374	IAIRSNXZOZQAPS-AWEZNQCLSA-N	303.362	1.543	50	20	DDGD	
O=C(NNC(=O)N1CCO[C@H]2C[C@H]21)c1cccc2cccnc12	814291242	FSSLOVGAWGHTFP-OLZOCXBDSA-N	312.329	1.062	50	20	DDGD	
CCNC(=O)c1ccc(NC(=O)NNC(=O)OCC)c(C)c1	494660269	VDSFZPCNEYGCTJ-UHFFFAOYSA-N	308.338	1.527	50	20	DDGD	
CC[C@H](C)CCNC(=O)NNC(=O)COc1ccc(F)cc1	820873490	QPTAQONDXDEJNE-NSHDSACASA-N	311.357	1.971	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNC(=O)c1ccc2ccccc2c1	494119385	HOTRJSIBGORXEH-JTQLQIEISA-N	315.329	1.345	50	20	DDGD	
C[C@H]1CC[C@H](C)N1CC(=O)NNc1cccc(-c2nn[nH]n2)c1	824909335	SXBDDRAQZDHFGM-QWRGUYRKSA-N	315.381	1.183	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@H](C(F)(F)F)[C@H]1C	827276225	YVOSSCUSZKZTHL-KATARQTJSA-N	323.315	1.425	50	20	DDGD	
CCC(CC)(C(=O)NNC(C)=O)c1ccc(OC)c(OC)c1	822164315	UXFSYDZGZHNTLM-UHFFFAOYSA-N	308.378	1.929	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cc2occc2[nH]1	826448870	PWPOVSAAYUOQBF-UHFFFAOYSA-N	309.289	1.698	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCOC3(CCCCC3)C2)cn1	491085361	QNZVUSJHCGRCMJ-DHDCSXOGSA-N	314.389	1.889	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCCc1nnc(S)n1C	820271445	GMMFSHHTMRAFMU-UHFFFAOYSA-N	324.385	1.420	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(F)c2occc12	823476469	YTJLYNUBXTYDPO-RKDXNWHRSA-N	306.293	1.758	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC(C)(C)c1cc(C(=O)OC)on1	490977535	UEPGDVWMUYDZDT-CMDGGOBGSA-N	307.306	1.256	50	20	DDGD	
OB(O)[C@@H]1CCN(Cc2cc(Cl)c3c(c2)OCCCO3)C1	585077385	UEZCTTKWRQTJER-LLVKDONJSA-N	311.574	1.550	50	20	DDGD	
COc1ccc(C(C)(C)CNCc2cccc(B(O)O)c2)cc1	585021980	GRIHKVFJHPMFRS-UHFFFAOYSA-N	313.206	1.442	50	20	DDGD	
O=C(NC[C@@H]1CCCC[C@H]1C1CC1)c1cc(B(O)O)ccc1F	584997920	LPFYROOGYQRDSM-JSGCOSHPSA-N	319.185	1.452	50	20	DDGD	
CC(C)C(=O)N(C)Cc1ccc(C(=O)NN(C)[C@H](C)CO)cc1	823952078	OBLRFYYEHZEGJK-CYBMUJFWSA-N	321.421	1.258	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)OCC(F)(F)F)c1ccc(F)cc1	825518927	GCTWQGZCUBHBGU-NSHDSACASA-N	324.230	1.353	50	20	DDGD	
OB(O)c1ccccc1CNCC1(c2c(F)cccc2F)CC1	585035569	VKIGRUFMKYGULX-UHFFFAOYSA-N	317.144	1.466	50	20	DDGD	
N#CC1(CC(=O)NNC(=O)Cc2cccnc2)CCCCC1	826123211	KJLKMGKUDRJKRP-UHFFFAOYSA-N	300.362	1.636	50	20	DDGD	
C[C@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(C)(C)CN(C)C	491050786	QTFQFLLMLNEXQX-FUEWVNAISA-N	303.410	1.420	50	20	DDGD	
CC(=O)NC[C@H](CC(=O)NNC(=O)c1ccncc1)CC(C)C	822114930	NTGVNKOCJNTULU-ZDUSSCGKSA-N	320.393	1.031	50	20	DDGD	
Cn1nncc1/C=C(\C#N)C(=O)NCc1cccc(Cl)c1	490690670	DOQADGILZMOPND-IZZDOVSWSA-N	301.737	1.692	50	20	DDGD	
CCO/C=C/C(=O)NNC(=O)c1ccc(OCC)c(OC)c1	493357711	SPRARMCBRBOPGT-CMDGGOBGSA-N	308.334	1.405	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)n1	823874269	PNQMJKZCEPHZHY-UHFFFAOYSA-N	316.405	1.757	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2[C@H]3CCC[C@H]32)o1	820202209	FIDQZWRLRFPYJY-BRPSZJMVSA-N	317.353	1.467	50	20	DDGD	
N#Cc1cccc(C(=O)NNS(=O)(=O)C2=CCCCC2)c1	829828594	KOZFKXWPMVARSS-UHFFFAOYSA-N	305.359	1.580	50	20	DDGD	
OB(O)c1ccc(CN[C@@H](CN2CCCC2)c2ccccc2)cc1	585016383	MREJBAWTBFNNMF-IBGZPJMESA-N	324.233	1.293	50	20	DDGD	
COC(=O)c1ccc(C(C)=NNC(=O)c2cc(C)[nH]n2)c(C)c1	905455639	JBTRSHQVSAGXMS-UHFFFAOYSA-N	314.345	1.967	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNc2ccc(C(=O)O)cn2)cc1	833732573	NUKJKXJDSRRZCA-WTKPLQERSA-N	313.313	1.945	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(F)c(C(=O)OC)c(F)c1	495655945	IHODDJSIUVWEHH-UHFFFAOYSA-N	317.248	1.534	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)c1cc(F)cc([N+](=O)[O-])c1	731453383	IUPCZSLZFXRMEK-UHFFFAOYSA-N	321.239	1.948	50	20	DDGD	
COC(=O)C1(C(=O)NNc2cccc(Br)n2)CC1	837211942	MSCWCUURFMICHB-UHFFFAOYSA-N	314.139	1.240	50	20	DDGD	
C[C@H]1CC(c2nc(-c3ccc(B(O)O)cc3)no2)C[C@H](C)O1	585050896	OZYYPIVYZVRBKW-UWVGGRQHSA-N	302.139	1.087	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc3c(c2)OCC(=O)N3)nc(C)n1	736711973	VCVAPDCCBIJDGR-UHFFFAOYSA-N	313.317	1.181	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCCOc3ccccc32)c(F)c1	585019810	HPNKDHXFVUMKIJ-INIZCTEOSA-N	315.153	1.509	50	20	DDGD	
CC(C)(C)Oc1cc(F)ccc1NCc1ccc(B(O)O)o1	585016637	TVMLPUGWVILSBY-UHFFFAOYSA-N	307.130	1.888	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)cc1F	837057543	GNMSTGAEHMDVMW-IGJMFERPSA-N	310.325	1.869	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2cccc(Cl)c2Cl)C1=O	838351092	UREUDRNFQZRSLI-ZETCQYMHSA-N	302.161	1.915	50	20	DDGD	
CCn1ccnc1C(C)=NNC(=O)c1ccnc(N(C)C)c1	834955243	AYSZTQCPKNBJFI-UHFFFAOYSA-N	300.366	1.518	50	20	DDGD	
CC(C)(C)[C@H](NC(=O)c1ccc(B(O)O)cc1)c1ccco1	584947708	YVGFOJULHBQRPU-CQSZACIVSA-N	301.151	1.477	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)N[C@H]1CCC[C@@H]2C[C@H]12	838776108	KFFOEIDZWXFWJG-SNPRPXQTSA-N	317.389	1.975	50	20	DDGD	
COc1cccc(NNC(=O)NCc2cnc(C)cc2C)n1	836659359	WBPRZSFCXKZITR-UHFFFAOYSA-N	301.350	1.928	50	20	DDGD	
CCc1cc(Br)ccc1NNC(=O)[C@H]1CC(=O)N1	832072166	GEWAIZDMQCUDJY-SNVBAGLBSA-N	312.167	1.343	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CCCc3cccc1c32)c1ccc(B(O)O)cc1	584969790	PNNUTWKCCFSOCU-WMLDXEAASA-N	321.185	1.661	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)Cc1ccncc1)C1CCCC1	836640344	HBZKIZGOXPALFM-CQSZACIVSA-N	304.394	1.923	50	20	DDGD	
O=C(C[C@H]1CCS(=O)(=O)C1)NNc1cc(F)c(F)cc1F	734551841	BNQVZQMYEIJQGL-SSDOTTSWSA-N	322.308	1.372	50	20	DDGD	
CC(=NNC(=O)Cn1c(C)nc2ccccc21)c1cn(C)nn1	834925028	IBKSAACMWPTQFI-UHFFFAOYSA-N	311.349	1.014	50	20	DDGD	
O=C1[C@@H](NS(=O)(=O)CCl)CCCN1Cc1ccccc1	830976432	GIRNNQXLYDOUHQ-LBPRGKRZSA-N	316.810	1.293	50	20	DDGD	
COCCCNC(=O)NNC(=O)C[C@@H](C)C(=O)c1ccccc1	732756766	PSSRDQHRJLTINO-GFCCVEGCSA-N	321.377	1.262	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(Br)nc2)n(C)n1	732835919	BSXAORXSNHWVHC-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCCC[C@H]1CCOC1	836646824	FPTFVCWHCYGSMB-LBPRGKRZSA-N	323.368	1.515	50	20	DDGD	
O=C(NNc1ccccn1)c1cc(F)cc(N2CCOCC2)c1	831749621	CJRRIPNABACPSQ-UHFFFAOYSA-N	316.336	1.814	50	20	DDGD	
O=C(CCOc1ccc(F)cc1Cl)NNC(=O)C1CC1	916034404	IGFWNHCOMLJZIZ-UHFFFAOYSA-N	300.717	1.805	50	20	DDGD	
COc1ccc(C=NNC(=O)C2CC2)c2cc(C(=O)O)oc12	832282783	ZWVUBPKXPCILFK-UHFFFAOYSA-N	302.286	2.000	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1cccc2cc[nH]c12	836539696	SJZJSROWPXESFX-LBPRGKRZSA-N	302.334	1.890	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1ccc(C#N)cc1)c1cnn(C)c1	839607721	ZVPRQAWOYLBGIW-LLVKDONJSA-N	311.345	1.247	50	20	DDGD	
CC(C)C(=O)NNC(=O)CSc1ncnc2sccc12	915776081	WYNIJVWCYYPMJL-UHFFFAOYSA-N	310.404	1.587	50	20	DDGD	
COC[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(CCl)cc1	916696046	SIQINZUXKKKSJS-VXGBXAGGSA-N	319.810	1.196	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCCOc1ccccc1Cl	910168667	PXTKMYSCHHOHJL-NSHDSACASA-N	300.786	1.843	50	20	DDGD	
CCCNCCNC(=O)NNC(=O)[C@@H](CC)c1ccccc1	841965414	SGQYCSBRXZHGQD-AWEZNQCLSA-N	306.410	1.510	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(Cl)c1	843653552	XJEZJZATHURPPW-SCZZXKLOSA-N	312.753	1.535	50	20	DDGD	
COc1ccccc1CC(=NNC(=O)C(=O)NC1CC1)C(C)C	748249905	IIEKHFRHWSGKTM-UHFFFAOYSA-N	317.389	1.645	50	20	DDGD	
CCc1ccc(O)c(C(=O)NNC(=O)Cn2nc(C)cc2C)c1	748830784	HNFRGZYDNPDURA-UHFFFAOYSA-N	316.361	1.229	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1cnnn1-c1ccccc1	842561669	SANUXPVYOXHAPJ-GXTWGEPZSA-N	313.361	1.533	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cccc(OCc2cccnc2)c1	910169987	HWUYKIWTYIZIFD-ZDUSSCGKSA-N	315.373	1.618	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)C(C)(C)Cc1ccccc1	843651988	QIVINLDOJWSVOO-TZMCWYRMSA-N	304.390	1.828	50	20	DDGD	
NC(=O)[C@H]1CC[C@H]1C(=O)NNc1ccc(C(F)(F)F)cn1	847753826	FTNMDDPZXBONOI-JGVFFNPUSA-N	302.256	1.055	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)N1CCOCC1)c1ccccc1	745730550	VBCRNFQQIBVVEA-NSHDSACASA-N	308.407	1.169	50	20	DDGD	
O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21	913733198	ZGTAZKCBTVSFPW-BFHYXJOUSA-N	321.421	1.363	50	20	DDGD	
CCCc1c(C(=O)NN(C)C[C@@H](C)O)cnn1-c1ccccc1	910151449	DPDUUPHRHRJCIF-CYBMUJFWSA-N	316.405	1.782	50	20	DDGD	
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NNc1ccccc1F	748058490	BMZYMRCNOGXRSW-UHFFFAOYSA-N	306.253	1.039	50	20	DDGD	
O=C(CC[C@@H]1CCOC1)NNc1ncc(Br)cn1	848321368	QYPLHUGXXAPLOO-MRVPVSSYSA-N	315.171	1.499	50	20	DDGD	
CSCc1ccc(C(=O)NNC(=O)N2CCOCC2)cc1	745991899	JKNVDZRHWHGNLN-UHFFFAOYSA-N	309.391	1.236	50	20	DDGD	
O=C(NNc1ccc(Br)cc1F)[C@@H]1COCCO1	748203057	IXICQUYVUVWQHH-JTQLQIEISA-N	319.130	1.447	50	20	DDGD	
O=C(CC1CCOCC1)NNc1ncc(Br)cn1	848321647	ZOJUMJFAWGSXQQ-UHFFFAOYSA-N	315.171	1.499	50	20	DDGD	
O=C(CCNC(=O)NNC(=O)C1CCCC1)NC1CCCCC1	918124055	OWCWIUKCPRHUNJ-UHFFFAOYSA-N	324.425	1.346	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cn(C)nc1-c1ccccc1	842561771	MSGYEIFJUQECJL-WFASDCNBSA-N	312.373	1.962	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cc3ccccc3o2)CCN1	841988380	SILAVNCKYHQALX-ZYHUDNBSSA-N	316.361	1.517	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCOc2c(C)cc(C)cc21	748253360	MONYNHCOBUMBHB-CYBMUJFWSA-N	320.389	1.958	50	20	DDGD	
CCc1cccc(NC(=O)NN(C)C(=O)N2CCNCC2)c1	841010691	ZUDINIDJKPZVDF-UHFFFAOYSA-N	305.382	1.243	50	20	DDGD	
Cn1cc(/C=C\C(=O)NNC(=O)c2cc3ccccc3o2)cn1	749474206	PQSBYHMNZZIYDL-SREVYHEPSA-N	310.313	1.641	50	20	DDGD	
COCC1CCC(NC(=O)NNc2nccc(OC)n2)CC1	840444234	WJHZZAZYXXZATQ-UHFFFAOYSA-N	309.370	1.317	50	20	DDGD	
COc1cc(Br)cc(C(=O)NNC(=O)C(C)C)c1	929288401	RPXWWRGRNXBDMA-UHFFFAOYSA-N	315.167	1.875	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ccc3c(c2)COC3)n1	753449270	COYNNTKVOUUMHA-UHFFFAOYSA-N	305.725	1.499	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCOCC(F)F)c1C	855624718	FGGFMPBDTPODCJ-UHFFFAOYSA-N	316.304	1.897	50	20	DDGD	
CNC(=S)N(C)NC(=O)CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C	854926737	JSGSVTGFDCPUKB-JHJVBQTASA-N	315.483	1.931	50	20	DDGD	
C[C@]1(CNC(=O)NO[C@@H]2CCCCO2)C[C@H]1Br	856853050	KFZXIMBPFCHBEL-FXPVBKGRSA-N	307.188	1.917	50	20	DDGD	
C[C@H](NC(=O)NC[C@]1(C)C[C@H]1Br)[C@H]1CCOC1	856836211	HOWKBQPHNMRJEL-GUDRVLHUSA-N	305.216	1.884	50	20	DDGD	
COc1ccsc1C(C)=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	853389717	VGMDUXREDLXPJA-YPMHNXCESA-N	323.418	1.460	50	20	DDGD	
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)c2ccccc2O)C1	854314322	LPDRLNQNIKARMI-LLVKDONJSA-N	320.393	1.209	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2C[C@H](C)n3ccnc32)c1	858519783	LDXIXNNPTLFCEF-VHSXEESVSA-N	319.390	1.903	50	20	DDGD	
Cc1nc(C=NNC(=O)CCCNC(=O)C(C)(C)C)cs1	853410006	YIAUVLUKZCVTIT-UHFFFAOYSA-N	310.423	1.844	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2[nH]c(C)nc2C)cc1	856791266	KCDTYXZBIJHLNI-UHFFFAOYSA-N	301.350	1.208	50	20	DDGD	
O=C(CC[C@H]1CC1(Cl)Cl)NNC(=O)[C@@H]1CCCCO1	854683030	JXXSWVCBTLOSRY-IUCAKERBSA-N	309.193	1.677	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)NC(=O)NNc1ccc(Cl)cn1	852372928	IGGLQJOUROPJSL-SECBINFHSA-N	308.773	1.726	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CCCc2ccccc2)nn1C	757752546	FKDWNHNRSVMZRW-UHFFFAOYSA-N	315.377	1.904	50	20	DDGD	
CC(C)C[C@H](CO)NC(=O)NC[C@@]1(C)C[C@H]1Br	856894530	UJQJTYNGMWDBMR-CKYFFXLPSA-N	307.232	1.866	50	20	DDGD	
C/C(=C/C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)c1ccco1	854516962	VBCGQFJAOJVEIX-UCQJPZFISA-N	312.391	1.175	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1)c1cc[nH]n1	855356752	XMCLSAZLUSGLAZ-KGLIPLIRSA-N	312.373	1.830	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@]1(C#N)CC12CCCC2)C1CC1	855095562	PKDXJERDOMDQHU-MEBBXXQBSA-N	306.435	1.754	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1ccc(-n2cccc2)nc1	753328277	AEMLSFBXPUFAPH-UHFFFAOYSA-N	322.324	1.653	50	20	DDGD	
COCc1csc(C(=O)NNC(=O)OCC(F)(F)F)c1	856026861	PDVCWIHRJOVJKF-UHFFFAOYSA-N	312.269	1.828	50	20	DDGD	
CCN1CC[C@H](NC(=O)NNc2c(F)cc(F)cc2F)C1=O	922385321	YXNLZHXTFZOFBI-JTQLQIEISA-N	316.283	1.351	50	20	DDGD	
COc1ccc(C(=O)NNc2ncccc2[N+](=O)[O-])c(OC)c1	759301812	DURDHZSDQRLAFJ-UHFFFAOYSA-N	318.289	1.764	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@]2(C)CCCO2)c1C	853843449	NSCYWVWFXPHZOR-MRXNPFEDSA-N	321.377	1.977	50	20	DDGD	
CCOC1CCC(=NNC(=O)CNC(=O)c2ccco2)CC1	853299146	INBPFEVAQIEUOG-UHFFFAOYSA-N	307.350	1.461	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1ccccc1O)[C@H]1CCCO1	756736114	ANMMRCAYYTZUKJ-WCQYABFASA-N	307.350	1.294	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cc(O)nc(C2CC2)c1)C1CC1	855099852	PDQVYSFEYMRLJO-QMMMGPOBSA-N	320.418	1.572	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@H](C)[C@H]1CN(C)CCO1	853877057	QYSZFOBVTWROCK-BXUZGUMPSA-N	310.373	1.479	50	20	DDGD	
C[C@@]1(CNC(=O)CCCCCNC(N)=O)C[C@H]1Br	857401648	GKLDKPNDHICZRT-SKDRFNHKSA-N	320.231	1.505	50	20	DDGD	
COCC(C)(C)C(=O)NNc1ccccc1S(C)(=O)=O	756003281	MOESLSIYQYCKIB-UHFFFAOYSA-N	300.380	1.206	50	20	DDGD	
O=C1C[C@@H](C(=O)OC[C@H](CBr)C2CC2)CCN1	859594121	QHQVSVHZYSETLB-UWVGGRQHSA-N	304.184	1.477	50	20	DDGD	
CC1=NO[C@H](C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)C1	854217198	KMJHFJMCAZHOLL-OCCSQVGLSA-N	319.361	1.383	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc(O)c(Cl)c1)C1CC1	855103891	UQQPBMWYPBXXAM-ZETCQYMHSA-N	313.810	1.953	50	20	DDGD	
C[C@H](CCNC(=O)NC[C@]1(C)C[C@H]1Br)N(C)C	856961458	ZVFOQNLNIKBFGC-FOGDFJRCSA-N	306.248	1.799	50	20	DDGD	
COC[C@@](C)(NC(=O)NNc1nccnc1OC)C(F)(F)F	932330713	LNISMYSRDMUPAJ-SNVBAGLBSA-N	323.275	1.079	50	20	DDGD	
CCC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CC2CC2)cc1	861804843	ONYOMIQMCPKERM-UHFFFAOYSA-N	317.345	1.165	50	20	DDGD	
CC1CCN(C(=O)C(=O)NNC(=O)CCc2ccccc2)CC1	767801248	DTXPGKXELWXHRX-UHFFFAOYSA-N	317.389	1.025	50	20	DDGD	
CC(C)[C@H]1C[C@@H](C(=O)NNC(=O)Cc2cccnc2)CCO1	931968045	OOASGUCJAWMGCR-UONOGXRCSA-N	305.378	1.223	50	20	DDGD	
CCCCCNC(=O)/C(C#N)=C\c1cn(C[C@@H]2CCCO2)nn1	865216048	CJGUZYYNPNGGNJ-CTXBLAANSA-N	317.393	1.670	50	20	DDGD	
C[C@@H](OC[C@H]1CCCCO1)C(=O)NNc1nc2ccccc2[nH]1	768505802	WYNYIDOPRQUBFZ-VXGBXAGGSA-N	318.377	1.980	50	20	DDGD	
CCSc1ccccc1C(=O)NNC(=O)c1cc(C)[nH]n1	768276632	KWYYOJYDDXGANI-UHFFFAOYSA-N	304.375	1.905	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCc2cc(F)c(Cl)cc21	863106649	JZVFHWLEUGQERY-UHFFFAOYSA-N	313.716	1.602	50	20	DDGD	
CN1CCN(CC(=O)NNC(=O)C2CC2)c2ccc(Cl)cc21	860194315	CDHAKIWXWCXSRM-UHFFFAOYSA-N	322.796	1.154	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2cc(F)cc3ccoc23)CC1	935860312	KGTKQITYDRFBEL-UHFFFAOYSA-N	320.324	1.174	50	20	DDGD	
CCOC(=O)Nc1ccc(F)c(C(=O)NNC(=O)C2CCC2)c1	932517123	SZOKGXXIHBOZKR-UHFFFAOYSA-N	323.324	1.955	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(OC)no2)c([N+](=O)[O-])c1	764260183	SBJXMBRKEAPXRT-UHFFFAOYSA-N	308.250	1.357	50	20	DDGD	
CC[C@@H]1CO[C@H](C)CN1CC(=O)NNC(=O)c1cccs1	762543445	GXWQKGXSEDAJED-GHMZBOCLSA-N	311.407	1.008	50	20	DDGD	
O=C1N[C@H](C(=O)NNc2ccc(OC(F)F)cc2)CCO1	860325898	OGQYQJZDDZXDKA-VIFPVBQESA-N	301.249	1.230	50	20	DDGD	
CCc1cc(NC(=O)NNCC(F)(F)C(F)(F)F)nn1C	861183225	ZFPBOSBVVMQLGE-UHFFFAOYSA-N	315.246	1.806	50	20	DDGD	
N#Cc1ccc2[nH]cc(C=NNC(=O)C(=O)N3CCCC3)c2c1	760254121	MFBOLXRNBROEHG-UHFFFAOYSA-N	309.329	1.112	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(N2CCO[C@H](C)C2)cc1	878772631	AOMPZSDBDKYLGP-LLVKDONJSA-N	322.365	1.646	50	20	DDGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)CC[C@@H]2C1	766272168	PYYPOJDWTJZZLE-SMCAMXITSA-N	312.329	1.766	50	20	DDGD	
O=C(NN=C1CCOC[C@@H]1CN1CCCCC1)C1CCOCC1	1119303428	VZPPDPPXDQLXOH-HNNXBMFYSA-N	323.437	1.408	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(C(C)(C)C)nn1)c1ncn(C)n1	1116687523	ZYIPKKKLTNPCCA-SECBINFHSA-N	318.385	1.290	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H](C(=O)NNc1ccc(F)cn1)C2	874651156	JWRZRRALOXEAKR-NSHDSACASA-N	317.320	1.924	50	20	DDGD	
CC(=NNC(=O)NCc1ccco1)C1CCS(=O)(=O)CC1	777433140	VRRPGYLZNGLFMU-UHFFFAOYSA-N	313.379	1.280	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NNc1ccccn1	1118909657	DXGYWADYTMRRGB-GMXVVIOVSA-N	318.377	1.780	50	20	DDGD	
CN=[S@](C)(=O)c1cccc(NC(=O)NNC(=O)CC2CC2)c1	879834142	ZFXZPYLJQHPAHR-JOCHJYFZSA-N	324.406	1.726	50	20	DDGD	
O=C(NC[C@H]1COC2(CCCCC2)O1)NNC(=O)C1CCC1	775760775	MHLRJLQTVUFRLR-LBPRGKRZSA-N	311.382	1.193	50	20	DDGD	
O=C(CC1OCCCO1)NNc1cncc(Br)c1	1116868223	WSWRXDCTWJXKKC-UHFFFAOYSA-N	316.155	1.440	50	20	DDGD	
COc1ccc(Br)c(C(=O)NNC(=O)CC#N)c1	772832224	WAPRXHQYOCZRRA-UHFFFAOYSA-N	312.123	1.132	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)NCC(F)F)o1	879759541	QQGAEYWEWHAIID-UHFFFAOYSA-N	318.324	1.331	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)o1	770812941	AHGICOZKCKSNSI-UHFFFAOYSA-N	317.257	1.465	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc[nH]1	875421987	IMYGPXROLSCEHD-ZNMIVQPWSA-N	316.405	1.786	50	20	DDGD	
COc1ccc(C=NNC(=O)C(=O)NC2CC2)cc1C(C)(C)C	872337396	DGIZMBDIRDZBSO-UHFFFAOYSA-N	317.389	1.721	50	20	DDGD	
CC[C@H](C(=O)NNC(=S)Nc1ccccn1)N(CC)CC	874956567	IAAHCVFOKOZVAG-LLVKDONJSA-N	309.439	1.520	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1nccs1	770134543	PEZPFNLCLYBKSK-UHFFFAOYSA-N	306.347	1.025	50	20	DDGD	
C[C@H](CBr)COC(=O)Cn1cc([N+](=O)[O-])cn1	770340268	JOXYJZNROOQLGQ-SSDOTTSWSA-N	306.116	1.366	50	20	DDGD	
Cc1cc(N2CCC(NS(=O)(=O)CCCCl)CC2)n[nH]1	882111818	XRJGQYARXFANHP-UHFFFAOYSA-N	320.846	1.235	50	20	DDGD	
O=C(NC[C@@H]1C[C@H]2C=C[C@H]1CC2)NNC(=O)c1cccnn1	883696169	XVDXZPXIUQMSBP-SRVKXCTJSA-N	301.350	1.023	50	20	DDGD	
CC(C)[C@@H]1CC(=NNC(=O)CNC(=O)c2cccnc2)CCO1	776777761	NAOHRFXBMACGPN-AWEZNQCLSA-N	318.377	1.119	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)[C@H]2CC[C@@H](C)C2)C[C@@H](C)O1	776448910	ZDFITFLIHKEOMM-MQYQWHSLSA-N	311.426	1.069	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H]2CC[C@@H](C)C2)nc1C	778425589	BUQDELPCSVQXQQ-MWLCHTKSSA-N	306.366	1.841	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)c2cc3c(s2)CCC3)CCO1	776337446	RUISDZCZMDJOME-GXSJLCMTSA-N	308.403	1.813	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1ccc(C)cc1O)C(F)F	881014628	QEDXPYXCKQFUQF-SECBINFHSA-N	301.293	1.688	50	20	DDGD	
NC(=O)CN(C[C@@H](CBr)C1CC1)C1CCOCC1	880396036	WGAPDRKVOMHLBL-LLVKDONJSA-N	319.243	1.374	50	20	DDGD	
CCn1cc(Br)c(C(=O)NN(C)C(=O)OC)n1	1123881382	VCDTTXUUGQUCCH-UHFFFAOYSA-N	305.132	1.009	50	20	DDGD	
N#CC1=CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1	780688317	DHXQQHFJFVFNPQ-ZDUSSCGKSA-N	313.332	1.861	50	20	DDGD	
COc1cc(NNC(=O)NCCC(=O)N(C)C)ccc1Cl	788876076	UUWPLSJUCQDZGG-UHFFFAOYSA-N	314.773	1.453	50	20	DDGD	
Cn1cnc2cccc(C(=O)NNC(=S)NC(C)(C)C)c21	899997129	INVFXTKWTKTNGK-UHFFFAOYSA-N	305.407	1.481	50	20	DDGD	
COC(=O)c1coc(C(=O)COC(=O)/C(C#N)=C\C2CC2)c1	786669278	KEOHEUCKJOAMDA-WMZJFQQLSA-N	303.270	1.652	50	20	DDGD	
O=C(NNc1ncc(F)cn1)C(=O)Nc1ccc(C2CC2)cc1	784950652	WOQKKWVHGXQOGC-UHFFFAOYSA-N	315.308	1.575	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1cnn(C(C)(C)C)c1C	787152861	DUJGAIUHZBRDNF-UHFFFAOYSA-N	319.409	1.409	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1sc(-c2cnn(C)c2)nc1C	780711467	LPRXKGOHZBOEDL-UHFFFAOYSA-N	322.394	1.158	50	20	DDGD	
CNC(=O)CCN(C)S(=O)(=O)c1ccc(CCl)cc1	388541575	NNHSKJQKIAZMAC-UHFFFAOYSA-N	304.799	1.182	50	20	DDGD	
O=C(NCc1c(F)cc(F)c(F)c1F)NNc1ncccn1	797522807	DSQWSTAUHIYLSE-UHFFFAOYSA-N	315.230	1.859	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)Nc1cccc(NC(=O)NN(C)C)c1	791277661	RSURMPNVJOVXGU-OLZOCXBDSA-N	306.366	1.648	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNc1nccc(N(CC)CC)n1	795178038	XQFHDDWNBRUTDN-WCQYABFASA-N	309.414	1.827	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1	790343017	ZUXIRKOPRWDYPD-UHFFFAOYSA-N	314.260	1.564	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1ccc(F)c2ccccc12	795084875	HTRGFDIAOJUBKZ-UHFFFAOYSA-N	312.304	1.706	50	20	DDGD	
Cc1ccc(C(=O)NNc2nc(-c3cccnc3)no2)c(O)n1	1318226327	OZFHAPMBZOLZHB-UHFFFAOYSA-N	312.289	1.298	50	20	DDGD	
CC(C)[C@H](C#N)C=NNC(=O)C1CCN(c2ncccn2)CC1	1319496602	OYKGOLGMMIMXQX-CQSZACIVSA-N	314.393	1.591	50	20	DDGD	
Cc1ncc(C(=O)NNc2cc(Cl)nc(N)n2)c(C2CC2)n1	1326996216	IRAGVDCKLDPBIS-UHFFFAOYSA-N	319.756	1.445	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc(C(F)(F)F)cc1O	1254217074	WQRWYKTUXACFFD-UHFFFAOYSA-N	321.324	1.928	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1	1330885019	CJUPPXVJMFFDHY-ZWKOPEQDSA-N	302.330	1.071	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc2ccccc2n1CC#N	1338591361	IFVRRDGEXAKRAR-UHFFFAOYSA-N	315.402	1.682	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)C2CCOCC2)[C@@H](n2cncn2)C1	1331994658	PEMCHSZXAHLKOF-RISCZKNCSA-N	305.382	1.538	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cnc(-c2ncccn2)s1	1341293200	YPHMEALHABIHCO-UHFFFAOYSA-N	317.309	1.286	50	20	DDGD	
Cc1nn(CC(F)(F)F)cc1C(=O)NNC(=S)NC(C)C	1340466191	VNSOOLXDRDPQLX-UHFFFAOYSA-N	323.344	1.271	50	20	DDGD	
Cc1cccnc1[C@@H](C)NC(=O)NNC(=O)CC(F)(F)F	1263770528	IEEOYIFQQDSNSD-MRVPVSSYSA-N	304.272	1.734	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2ccccc2N2CCCC2)N1	1261833478	ZNMCDNCDVVQGOE-ZDUSSCGKSA-N	300.362	1.016	50	20	DDGD	
O=C(NCCc1cccc(C(=O)O)c1)NNC(=O)C1CCCC1	1608451904	WBVKFFRFIKLGGD-UHFFFAOYSA-N	319.361	1.448	50	20	DDGD	
O=C(/C=C/c1cc(C(=O)O)co1)NNC(=O)NCc1ccco1	1601232330	DRACYPFLDGCYQA-ONEGZZNKSA-N	319.273	1.115	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)cc1F)C(=O)c1ccc(F)cc1	1601556357	GLLKWSBKIVNUFS-UHFFFAOYSA-N	320.251	1.989	50	20	DDGD	
Cc1cc(C#N)cnc1C(=O)NNc1ccc(CC(=O)O)cc1	1600076352	WBKYEQHZOLUHCD-UHFFFAOYSA-N	310.313	1.646	50	20	DDGD	
CC(C)(C=NNC(=O)C(=O)O)[C@@H](C[N+](=O)[O-])c1ccccc1	1603575913	PYAVRXTVPJBHPU-NSHDSACASA-N	307.306	1.260	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H](C(=O)NNc2cc(Cl)ccc2F)O1	1608804414	YYJRLMXAFCENNG-ZJUUUORDSA-N	302.689	1.554	50	20	DDGD	
Cn1ncc(C(=O)O)c1NC(=O)NNc1ccc(C#N)cc1	1601024328	XRALRKRSZKVFJY-UHFFFAOYSA-N	300.278	1.139	50	20	DDGD	
CC(C)(C)n1cnc(C(=O)NNc2cccc(C(=O)O)c2F)n1	1609672500	SXWNLRHQAVRWTA-UHFFFAOYSA-N	321.312	1.627	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1C(=O)O	1600455744	ZMQGMHCTPPONJE-CABZTGNLSA-N	321.333	1.413	50	20	DDGD	
O=C(O)[C@H]1CN(S(=O)(=O)CBr)c2ccccc21	1608645515	YQPLSKMLUHRZIE-QMMMGPOBSA-N	320.164	1.357	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCC(=O)NC1(C(=O)O)CCCCC1	1608170379	YGARZFPAQZNTKL-WQLSENKSSA-N	320.345	1.293	50	20	DDGD	
CC[C@@H](CNC(=O)NNc1c(F)cc(F)cc1F)C(=O)O	1603566245	XSSXHMROBGJDNP-LURJTMIESA-N	305.256	1.841	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc(/C=C\C(=O)O)o1	1603351219	ZLKSEOFVUMLVKJ-ALCCZGGFSA-N	311.363	1.285	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@H]1CC[C@H]2CCCCN21	1608828358	APHBGMVMGAXGGL-ZWNOBZJWSA-N	321.352	1.984	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNc1cccc(C(=O)O)c1C	1603047029	VCXONHMPFABDRX-UHFFFAOYSA-N	307.350	1.299	50	20	DDGD	
Cn1cc(NC(=O)NNC(=O)Cc2ccsc2)cc1C(=O)O	1600965874	ODPPRFUFUGAPQY-UHFFFAOYSA-N	322.346	1.180	50	20	DDGD	
O=C(O)c1ccnc(C(=O)NNc2ccccc2[N+](=O)[O-])c1	1602481943	LTRKJEDAPGMLEL-UHFFFAOYSA-N	302.246	1.445	50	20	DDGD	
O=C(O)c1cc(C=NNC(=O)c2cc3c(s2)CCC3)on1	1602254714	LDXSJYHEIDNWME-UHFFFAOYSA-N	305.315	1.687	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc(C(=O)O)c(F)c2)c(Cl)n1	1608098380	GZFAMGHAYNQXOO-UHFFFAOYSA-N	312.688	1.668	50	20	DDGD	
O=C(NN=C1C[C@H]2C[C@H](C(=O)O)[C@H]1C2)c1ccc2c(c1)OCO2	1601552037	GZQRJCVOEVONQC-IEBDPFPHSA-N	316.313	1.632	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2C[C@H](C(=O)O)c3ccccc32)cn1	1600946672	OAIRDUFZDNECTB-ZDWRTJATSA-N	322.324	1.542	50	20	DDGD	
O=C(NNc1cccc(F)c1C(=O)O)c1ccc(O)cc1O	1601560682	SZHPEJCZKPISSE-UHFFFAOYSA-N	306.249	1.692	50	20	DDGD	
C[C@H](NC(=O)C1CCC(Cl)CC1)C(=O)N1CCOCC1	1548634637	NSJRDSUTCDOTJI-UNXYVOJBSA-N	302.802	1.148	50	20	DDGD	
CN(NS(=O)(=O)CCCCCC(=O)O)C(=O)OC(C)(C)C	1610126455	QRALXPJJBSPKBY-UHFFFAOYSA-N	324.399	1.333	50	20	DDGD	
O=C(NN=Cc1ccc2oncc2c1)[C@H]1CN2CCC[C@H]2CO1	1549320732	NOGVWNBVOFPNEL-DZGCQCFKSA-N	314.345	1.141	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H]2CCCO[C@@H]2c2nccn2C)on1	1549510455	OOTOTOQRFFUHOU-STQMWFEESA-N	317.349	1.335	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@H](N)CC(C)C)cc1	1574156496	IYACGEQUVPHVEA-CYBMUJFWSA-N	309.435	1.608	50	20	DDGD	
CC(C)(C)N1CC[C@](F)(C(=O)NNc2ccc(C(=O)O)cn2)C1	1589806613	RKZQTTKIMNTXLF-OAHLLOKOSA-N	324.356	1.435	50	20	DDGD	
CC[C@@H](O)C(=O)N1CCCC12CN(C(=O)C(C)(C)CCl)C2	1841278439	OFJSVJHPLDBDJL-LLVKDONJSA-N	316.829	1.226	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NNc2ccccc2C(=O)O)C1	1594624327	OZPULOIUWBBOGP-JOYOIKCWSA-N	314.345	1.917	50	20	DDGD	
O=C(NCC1=CCCCC1)NNc1ccc(-c2nn[nH]n2)cn1	1593021617	LUKKCYFBYSSPIP-UHFFFAOYSA-N	314.353	1.388	50	20	DDGD	
Cc1occc1CNC(=O)NNc1cccc(-c2nn[nH]n2)c1	1592512418	UXMWHVMEXKDVMN-UHFFFAOYSA-N	313.321	1.594	50	20	DDGD	
COc1ccc(C(=O)NNc2cccc(C(=O)O)c2)c(N)c1F	1599483709	GORNOTDGLSZOQX-UHFFFAOYSA-N	319.292	1.872	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2ccc(C(=O)O)cn2)nn1C	1591930653	UWZZZKBYOQYUKW-UHFFFAOYSA-N	303.322	1.394	50	20	DDGD	
COC(=O)NN=Cc1ccc(C(=O)O)cc1Br	1598884324	USDHEZNFVZCMHT-UHFFFAOYSA-N	301.096	1.837	50	20	DDGD	
O=C(O)C1=NO[C@H](C(=O)NNc2ccc(C(F)(F)F)cc2)C1	1594890326	PVHOILWUIDSCPS-VIFPVBQESA-N	317.223	1.378	50	20	DDGD	
CC[C@@H]1NCC[C@H]1NC(=O)NNc1ccc(C(=O)O)cc1F	1597302791	JHSDVHVOSJTJCD-CMPLNLGQSA-N	310.329	1.291	50	20	DDGD	
Cc1ccccc1CNC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1592257106	PSCWWBYDMXVEDU-UHFFFAOYSA-N	324.348	1.396	50	20	DDGD	
CC(=NNC(=O)c1ncccn1)c1ccc(C(=O)O)c(F)c1	1776081293	IIEHHRBQPHJYBE-UHFFFAOYSA-N	302.265	1.468	50	20	DDGD	
CC(=NNC(=O)c1cccc(F)n1)c1cc(C(=O)O)ccc1O	1776094025	XFMCRTVIBBLXOB-UHFFFAOYSA-N	317.276	1.779	50	20	DDGD	
Cc1nsc(C=NNC(=O)OCC(F)(F)F)c1C(=O)O	1776097138	MWXQXLYZCXSACS-UHFFFAOYSA-N	311.241	1.772	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnco1)[C@@H](F)Cl	1793801066	SPQVYTXTQUGLGL-PKIKSRDPSA-N	315.732	1.461	50	20	DDGD	
C[C@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl	1796810261	RXNMUUJFCHAQLM-CIQUZCHMSA-N	308.806	1.477	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)c3cnccn3)cc2C1	12841173	OSDOSXSONKUYCT-VIFPVBQESA-N	316.386	1.738	50	20	DDGD	
O=C(NNC(=S)NC1CC1)c1cnn(-c2ccccc2)c1	14840564	WVRGKTOOXSRVPT-UHFFFAOYSA-N	301.375	1.144	50	20	DDGD	
CCC[C@@H]1CN(C(=O)NNC(=O)c2cccc(C#N)c2)CCO1	161036711	NXMYKKIDJDTYSQ-CQSZACIVSA-N	316.361	1.414	50	20	DDGD	
CCc1ccc(-c2cc(C(=O)NNC(=O)c3cc[nH]n3)[nH]n2)cc1	151123074	SAKIOBBUNRMECX-UHFFFAOYSA-N	324.344	1.437	50	20	DDGD	
CC(C)CS(=O)(=O)CCC(=O)NNc1ccccc1F	152886068	ZWUBDFSYXOEIBE-UHFFFAOYSA-N	302.371	1.730	50	20	DDGD	
COc1ccc(Cl)cc1CC(=O)NNC(=O)c1cc(C)n[nH]1	153012313	JTEVSQIVPJYGIE-UHFFFAOYSA-N	322.752	1.384	50	20	DDGD	
Cc1cc(NNC(=O)c2ccnc(-n3cccn3)c2)nc(C)n1	155271040	MUJYZKFXSTXFNS-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
O=C(CN1CC[C@@H]2OCCC[C@@H]2C1)NNC(=O)c1cccs1	155400006	QTJHPLWDVZZIQS-NEPJUHHUSA-N	323.418	1.010	50	20	DDGD	
Cc1cccc2c(=O)n(CC(=O)NNc3ccccn3)cnc12	155958498	PSLWEPUSBGKPQF-UHFFFAOYSA-N	309.329	1.243	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)Cc2ccc3ccccc3c2)nn1	154385039	NJEXZJFSIJAAMR-UHFFFAOYSA-N	321.340	1.415	50	20	DDGD	
CN(CC(=O)NNc1cc(F)c(F)cc1F)[C@H]1CCSC1	159764436	RIVDVCVZCSGCFE-QMMMGPOBSA-N	319.352	1.984	50	20	DDGD	
COCCN1CCC[C@H](NS(=O)(=O)CCCCCl)C1	399394787	POBGSUBENWXGRJ-LBPRGKRZSA-N	312.863	1.036	50	20	DDGD	
C[C@H](CN(C)C(=O)OC(C)(C)C)NS(=O)(=O)CCl	851874173	BOLJKGZJZMPIJH-MRVPVSSYSA-N	300.808	1.358	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)Cc1cccnc1	103513105	VEWWQAOVTGOPED-KBPBESRZSA-N	304.394	1.923	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc(N2CCOCC2)c(F)c1	106756999	SPUKVUUKLVLCCN-UHFFFAOYSA-N	324.356	1.015	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1ncn(-c2ccccc2)n1	110103909	YHYJSOUUBLXBJF-SNVBAGLBSA-N	319.390	1.305	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)CC(C)(C)C)NC(=O)c1ccccc1	103198608	WTOLCCSPSIEHCA-LBPRGKRZSA-N	319.405	1.779	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCc1c[nH]c2cc(F)ccc12	108929788	AZLAJWMQRCLLAT-UHFFFAOYSA-N	322.340	1.216	50	20	DDGD	
O=C(CCCOc1cccc(F)c1)NNC(=O)Cc1cc[nH]n1	106417329	NIVVYSYGPXSOLN-UHFFFAOYSA-N	320.324	1.098	50	20	DDGD	
Cc1ccc(NNC(=O)NCCCNc2ccccn2)nn1	106332444	LUNPQCJMFGMGOX-UHFFFAOYSA-N	301.354	1.308	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccncc2)c(=O)oc2ccccc12	177097677	NOYDPFCAGWOHHB-UHFFFAOYSA-N	323.308	1.571	50	20	DDGD	
CCN(CC)[C@H](C(=O)NNC(=O)NC(C)C)c1ccccc1	67271458	RSYHZQRLLCQYSC-AWEZNQCLSA-N	306.410	1.808	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](C)N2CCCCCC2)n1	174479492	ZUTQPKKRRHXXTR-LBPRGKRZSA-N	307.398	1.501	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)C2CCOCC2)o1	64047596	ORYAUPMXWOGRAM-UHFFFAOYSA-N	323.393	1.309	50	20	DDGD	
CC(C)(C#N)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	170899249	ASXKIUBUHLTMIY-UHFFFAOYSA-N	317.317	1.676	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCCc2ccccn2)cc1	65145643	NERGFOIZPJHKNR-UHFFFAOYSA-N	309.329	1.140	50	20	DDGD	
O=C(NNc1ccccc1)c1ccc(=O)n(-c2ccccc2)n1	111551427	MNKYTINUSDFSSL-UHFFFAOYSA-N	306.325	1.989	50	20	DDGD	
O=C1COc2cc(C(=O)NNc3ncccc3Cl)ccc2N1	114885199	WRXICNMPJGPQJE-UHFFFAOYSA-N	318.720	1.823	50	20	DDGD	
O=S(=O)(N[C@@H]1CCNC1)c1ccc(CCCCl)cc1	123122035	BFQLNCCTZDPXCV-GFCCVEGCSA-N	302.827	1.498	50	20	DDGD	
O=C(NNc1ncccn1)Nc1ccnn1Cc1ccccn1	120396738	XBWXKPAOEKSMPI-UHFFFAOYSA-N	310.321	1.265	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NNc1ccc(C#N)c(Cl)c1	182407410	SWMDSKCIZXANHI-LBPRGKRZSA-N	323.784	1.882	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)c1cnn(-c2ccccc2)c1	181204691	PFEFTTSHCLOBSG-UHFFFAOYSA-N	307.313	1.593	50	20	DDGD	
O=C(CO)NNC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1	189794941	QMWVPBUNNRTAEK-UHFFFAOYSA-N	320.242	1.016	50	20	DDGD	
N#CCCn1ccc(NC(=O)NNC(=O)CC2CCCC2)n1	185757512	HAALTINNEYDQGR-UHFFFAOYSA-N	304.354	1.530	50	20	DDGD	
CCN(C)C(=O)CNC(=O)NNc1cc(F)c(F)cc1F	186189839	RQOOHRAMNRMSEU-UHFFFAOYSA-N	304.272	1.208	50	20	DDGD	
CCOC(=O)N1CCC(NS(=O)(=O)CCCCl)CC1	36881984	MBWRVUMMVLZOJQ-UHFFFAOYSA-N	312.819	1.156	50	20	DDGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)C(=O)NC1CC1	121802148	CMXOXXFPWZXZDF-UHFFFAOYSA-N	316.144	1.033	50	20	DDGD	
CN(C)c1ccccc1NC(=O)C(=O)NNc1cccc(F)c1	187468816	CYGSPJSTZAAKRZ-UHFFFAOYSA-N	316.336	1.974	50	20	DDGD	
CCCCn1cc(C(=O)NNC(=O)c2ccc(C)o2)c(C)n1	184957549	SBOPXPHVLZYEKQ-UHFFFAOYSA-N	304.350	1.968	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)co1	187422640	NERZZGUGPMKNKB-UHFFFAOYSA-N	302.286	1.434	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)Cc2ccc(F)cc2)cn1	44977981	IUAIDCWKLQHZLD-UHFFFAOYSA-N	317.320	1.623	50	20	DDGD	
CC(C)(O)c1ccc(CNC(=O)NNc2ncccn2)cc1	185957004	AXDFNIUSKQOGSC-UHFFFAOYSA-N	301.350	1.530	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cc1c[nH]c2ncccc12)C1CC1	134099042	ZLLKCJJXROSZHG-SECBINFHSA-N	317.418	1.399	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N(CCO)CC(F)F)cc(C#N)n1C	194377621	QBZJJJNHYFAUEH-LFYBBSHMSA-N	322.315	1.198	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cnc([C@H]2CCCO2)s1	89821402	XDHZIMBNTIZSAE-SECBINFHSA-N	321.362	1.101	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C[C@@H]2CCCO2)cc1OC	46762430	IADFEBUJONCASX-LBPRGKRZSA-N	322.361	1.424	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NCC=C(C)C)cc1	190609367	SOJJZFNFPWFKIW-UHFFFAOYSA-N	305.378	1.924	50	20	DDGD	
O=C(CCc1c[nH]cn1)NNC(=O)c1cccc(OC(F)F)c1	193149522	RIBUQQMAGAZALD-UHFFFAOYSA-N	324.287	1.405	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(OC)c(-c2ccccn2)c1	132445242	KAUGYGCNYBLGDC-UHFFFAOYSA-N	314.345	1.721	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H]2OCCC[C@@H]2C1)c1ccccc1	132930566	APKPJCHPVSPZGB-ZIAGYGMSSA-N	303.362	1.542	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)/C=C/c1ccc(OC(F)F)cc1	190062586	GKEIGICERCPSEY-VMPITWQZSA-N	314.288	1.220	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1nc(-c2ccccc2)c[nH]1	195319479	ZHGBKAKUXADPMK-WQLSENKSSA-N	302.359	1.833	50	20	DDGD	
CC1CCN(CCNC(=O)NNC(=O)c2ccccc2F)CC1	46370053	YRIBUHNWUPJCQO-UHFFFAOYSA-N	322.384	1.502	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2nc3c(s2)CCCC3)n1	194772647	YFCWITYOOZFRMN-UHFFFAOYSA-N	320.378	1.969	50	20	DDGD	
COCCn1ccc(C(=O)NNc2cnc3ccccc3n2)n1	190754528	XCCDTJHLTUSWGD-UHFFFAOYSA-N	312.333	1.230	50	20	DDGD	
CC[C@H](C)[C@H](N)C(=O)NNc1nc2ccccc2c(=O)n1CC	236901453	IAMUPCXNLZNHDT-GWCFXTLKSA-N	317.393	1.233	50	20	DDGD	
COCCn1ccc(NC(=O)NNc2ccc(Cl)nn2)n1	92602668	SYBDWBUVNSTNLR-UHFFFAOYSA-N	311.733	1.122	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)C(C)(C)C)N1C[C@H](C)O[C@H](C)C1	249801891	CXLKISDGAOZTJT-FRRDWIJNSA-N	313.442	1.314	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCO[C@@H](C)[C@@H]1C	268826868	BFZATSABNDLRED-QWRGUYRKSA-N	307.350	1.159	50	20	DDGD	
CC(C)[C@@H]1CN(C(=O)NNC(=O)Cc2cccnc2)CCS1	266773970	QLGWASBJMSZMFD-ZDUSSCGKSA-N	322.434	1.438	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccc2c(c1)OCCO2)C(C)(C)C	265197722	BWDYFYCLPWIPFF-SNVBAGLBSA-N	306.362	1.901	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CC[C@H]1CCOC1)c1ccccc1	267548777	FPNNWCQFDLQXEV-ZDUSSCGKSA-N	304.390	1.928	50	20	DDGD	
CC(C)COC(=O)N1CCC(C(=O)NNc2cccnn2)CC1	265528139	KKTOWWPAUAZBBI-UHFFFAOYSA-N	321.381	1.424	50	20	DDGD	
Cc1cnc2c(S(=O)(=O)NNC(=O)C3CCC3)cccc2c1	264756045	MWTKETJLRJPPNM-UHFFFAOYSA-N	319.386	1.653	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@@H]2CCCc3cccnc32)n1	369333381	BQVJIHDIIPZBTQ-GFCCVEGCSA-N	312.377	1.501	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](C)C2=CCN(C)CC2)o1	272914382	JVPANOJDVAAGQQ-LLVKDONJSA-N	306.366	1.182	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccccc1O)[C@@H]1CCCCO1	272167066	YDNLRKDVBGVPLV-GWCFXTLKSA-N	307.350	1.294	50	20	DDGD	
C[C@](O)(CN1CC=C(C#N)CC1)c1ccc(S(C)(=O)=O)cc1	272635428	KXHNTGVWIDNHGV-INIZCTEOSA-N	320.414	1.453	50	20	DDGD	
CCn1c(NNC(=O)C2(OC)CCC2)nc2ccccc2c1=O	273067292	YQTGTEVNYLTMNG-UHFFFAOYSA-N	316.361	1.429	50	20	DDGD	
CN(NC(=O)CN(C(=O)OC(C)(C)C)c1ccccc1)C(N)=O	272221240	UAUADEBLGRVMJM-UHFFFAOYSA-N	322.365	1.470	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1cccc(C)c1F	273431691	UCBBGBVFLJNVLJ-SNVBAGLBSA-N	313.329	1.338	50	20	DDGD	
COc1cccc(NNC(=O)c2ccnc(N3CCCC3)n2)n1	272588070	ZNAUWNFUGQMTJR-UHFFFAOYSA-N	314.349	1.237	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)C2SCCS2)c1	272030737	OYUCTKAAQDFHID-UHFFFAOYSA-N	318.445	1.339	50	20	DDGD	
NNC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1	270207448	IGZCECMSQRLVGH-SECBINFHSA-N	301.268	1.044	50	20	DDGD	
CC(C)c1ccccc1NC(=O)C(=O)NNC(=O)CC1CC1	274049581	ILFPCAHOSJLUCD-UHFFFAOYSA-N	303.362	1.696	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2[C@H](C)[C@@H](OC)C2(C)C)nc1	276045695	YGUPOCYUFSTPJW-ZWKOPEQDSA-N	308.382	1.776	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@]2(C)CCCOC2)cc1	272648296	DYAIQEYLCIMAHL-INIZCTEOSA-N	305.378	1.371	50	20	DDGD	
O=S(=O)(CBr)N1CCC(OCC2CC2)CC1	373297030	SLZCARFJWLXLPQ-UHFFFAOYSA-N	312.229	1.560	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1nnc(C(F)(F)F)s1	272410511	YQVJZCOQXUXPPR-UHFFFAOYSA-N	309.273	1.510	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)N[C@@H]1CCCOCC1	271908865	PDWSIZBJRMTXDS-SECBINFHSA-N	307.379	1.887	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@@H](F)C(F)(F)F)c1	277276335	AXIXRSWZSGJVGQ-SECBINFHSA-N	307.247	1.414	50	20	DDGD	
COc1cccc(NNC(=O)[C@]2(O)CCc3ccccc3C2)n1	376145043	RGGLGNAIWUTMPA-KRWDZBQOSA-N	313.357	1.453	50	20	DDGD	
Cc1c(NNC(=O)NCC2=CCCOC2)cccc1[N+](=O)[O-]	288113844	XQNAGFUMWAYJGS-UHFFFAOYSA-N	306.322	1.876	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@@H]2C[C@@]23CCc2ccccc23)n1	377877184	AGZGFTCGEPVYPL-KBXCAEBGSA-N	323.400	1.890	50	20	DDGD	
COc1cccc(NNC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)n1	371574547	WYXREHDLEIBUSG-VDQHWBOFSA-N	317.389	1.865	50	20	DDGD	
CC[C@H](C)CCC(=O)NNC(=O)CNC(=O)c1cccs1	285802124	YVIFKENZQBAZLC-JTQLQIEISA-N	311.407	1.452	50	20	DDGD	
COCCN(C)NC(=O)c1cnn(-c2ccccc2)c1C1CC1	288509798	MYDNZWJSZDSGOF-UHFFFAOYSA-N	314.389	1.973	50	20	DDGD	
COC[C@@H](C)OC(=O)/C(C#N)=C\c1ccc2c(c1)OCCO2	298788912	IGRUFFIQVIHLJV-NUBYWOLOSA-N	303.314	1.943	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)CCC(=O)c2cccc(F)c2)O1	294420828	YQEQKSFGSVUFIJ-HZMBPMFUSA-N	322.336	1.504	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CN2CCSC2=O)cc1	802051107	NMMFQXIAYYPDJE-UHFFFAOYSA-N	324.362	1.017	50	20	DDGD	
C[C@H]1CSCCN1CC(=O)NNC(=O)c1ccc(F)cc1	299368914	RUODWMVJXILXAC-JTQLQIEISA-N	311.382	1.024	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(F)c(C(C)=O)c1	806976178	HQLDLDMPNHGRLB-MRVPVSSYSA-N	323.324	1.160	50	20	DDGD	
O=C(NCCc1ccc2c[nH]nc2c1)NNC(=O)c1ccccc1	807244409	YNEZSOBLVMOMMY-UHFFFAOYSA-N	323.356	1.750	50	20	DDGD	
Cc1ccc(NNC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1	298204261	XQXCUBNICZCKPA-ZIAGYGMSSA-N	315.373	1.613	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)[C@@H]1CC1(F)F	294781781	AOAMUVSZXHHKOL-QMMMGPOBSA-N	316.329	1.590	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)NC[C@H]2CCCN2C)c1	297367257	VNUURGDGKXCCML-CQSZACIVSA-N	305.382	1.365	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccn(CCc2ccccc2)n1	295591586	MHAXXVOLSUCUJV-UHFFFAOYSA-N	312.373	1.687	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc2c(c1)NC(=O)CCS2	294257385	UAKPQERRGMNIJH-UHFFFAOYSA-N	319.386	1.682	50	20	DDGD	
CN(C)c1noc(CCC(=O)NNc2cccc(Cl)n2)n1	293679092	LFSSBJKXZVAXAO-UHFFFAOYSA-N	310.745	1.260	50	20	DDGD	
O=C(Cc1coc(-c2cccs2)n1)NNC(=O)CC1CC1	294027114	CTQHSEVMEGMVNV-UHFFFAOYSA-N	305.359	1.893	50	20	DDGD	
Cc1ccc2c(c1)CC[C@H](C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)O2	293915220	AQDFULWORAMSJJ-TUKIKUTGSA-N	318.373	1.404	50	20	DDGD	
Cn1cncc1CC(=O)NNC(=O)c1cc2ccccc2cc1O	806346278	RDQFSIXOLBCFBX-UHFFFAOYSA-N	324.340	1.283	50	20	DDGD	
COC[C@H](NC(=O)NNc1ncc(F)cc1F)[C@@H]1CCCO1	298200890	FOCYSSCXUFCREG-QWRGUYRKSA-N	316.308	1.180	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cc3n(n2)CCC3)cc1	294669650	ALOQKJAMRMABOZ-UHFFFAOYSA-N	313.361	1.011	50	20	DDGD	
Cn1cncc1C(=O)NNc1nnc(-c2ccccn2)s1	809795087	MVFKZJPNUJQQEG-UHFFFAOYSA-N	301.335	1.091	50	20	DDGD	
N#Cc1cc(O)cc(C(=O)NNc2nc(-c3cccnc3)no2)c1	809664039	ZMXBZUOWMRJERE-UHFFFAOYSA-N	322.284	1.466	50	20	DDGD	
CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1occc1C	819773119	OIQMOANYAHVDMO-UHFFFAOYSA-N	310.317	1.922	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2nnc(-c3ccccn3)s2)o1	816418879	ABJCQDXPZKOENM-UHFFFAOYSA-N	312.314	1.822	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1C(=O)NNC(=O)[C@H]1COc2ccccc2O1	819003476	WYGMYOLVXISMAV-TYNCELHUSA-N	318.373	1.800	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cc(F)c[nH]2)c2ccccc21	814795611	CEBDMVPCSOLCOR-UHFFFAOYSA-N	300.293	1.720	50	20	DDGD	
C[C@H](C=NNC(=O)[C@@H](C)NS(C)(=O)=O)C1CCCCC1	814835104	HVEILYIALXHYKM-GHMZBOCLSA-N	303.428	1.243	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NNc1ncncc1F	817080227	WIDNOVATOWFOKT-UHFFFAOYSA-N	312.736	1.425	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H](C2CCCC2)C1	817156690	ADIVBGYTTCMBNI-OAHLLOKOSA-N	316.405	1.877	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@@H]2CCCSC2)c1	810005661	BRAPPNYUPDVGFQ-LLVKDONJSA-N	323.418	1.398	50	20	DDGD	
CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NNC(=O)c1ccnnc1	817694223	VEVNYBLTBRHLTM-XBFCOCLRSA-N	320.393	1.612	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)NCCc2cccs2)CC1(F)F	817525482	OTTNWPVQGKXJJN-NSHDSACASA-N	303.334	1.666	50	20	DDGD	
Cc1c(NNC(=O)NCc2cncn2C)cccc1[N+](=O)[O-]	812487488	BDWYBWKBYJJNKT-UHFFFAOYSA-N	304.310	1.463	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1	819880349	QRIAFYNOYVZZFN-IEHMKBBKSA-N	305.300	1.573	50	20	DDGD	
Cn1cc(C=NNC(=O)c2cc3ccccc3cc2O)c(O)n1	814212486	CZNSUFDPOPSAHH-UHFFFAOYSA-N	310.313	1.748	50	20	DDGD	
O=C(COc1cccnc1)NNC(=O)Cc1ccc(Cl)cc1	726866530	XBENBAUXGLOTRQ-UHFFFAOYSA-N	319.748	1.504	50	20	DDGD	
Cn1cncc1CNC(=O)NNC(=O)c1cccc2ccccc12	811885371	YDKUSIQSZMCHSU-UHFFFAOYSA-N	323.356	1.718	50	20	DDGD	
C[C@H](Sc1nnnn1C1CC1)C(=O)NCC(Cl)Cl	819795609	YZVWUMSHMZKTDO-YFKPBYRVSA-N	310.210	1.409	50	20	DDGD	
COc1ccccc1NCC(=O)NN=Cc1cnn(C)c1Cl	814713183	DOFRGFJHSBABBX-UHFFFAOYSA-N	321.768	1.644	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)C(F)(F)F	824040583	RNMVEXJHKVZVBD-ZCFIWIBFSA-N	300.244	1.508	50	20	DDGD	
CC(C)(C)N1CC[C@@H](NC(=O)NNc2ccc(F)cn2)C1=O	827076721	UFIBCEHXUFRMPW-SNVBAGLBSA-N	309.345	1.246	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1cncnc1C	496953348	DNWYDWCXHXAQDO-UHFFFAOYSA-N	307.354	1.150	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@H](CN1CCCC1)c1ccccc1	823922674	MCBNLQZDHGNGJR-GOEBONIOSA-N	305.422	1.210	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N(C)CC2(O)CCC2)cc(C#N)n1C	490878337	OAZGVEGZSFPVSN-AUWJEWJLSA-N	312.373	1.486	50	20	DDGD	
O=C(NNC(=S)NC1CCOCC1)c1ccc(Cl)nc1	727782523	RSIBJKNMRXGIAB-UHFFFAOYSA-N	314.798	1.023	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C)[C@H](C)c1cc(F)ccc1F	827430680	OLGMXDCQFOOOGW-SNVBAGLBSA-N	313.348	1.761	50	20	DDGD	
CCN1CCC[C@H](CNC(=O)/C(C#N)=C\c2cnn(C)c2)C1	491132297	NJOPGXRCNUWKFV-QVYJARAXSA-N	301.394	1.175	50	20	DDGD	
CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NNC(=O)C(C)C	728018944	YHIGGDIQWCTPME-SDKXAQGSSA-N	313.423	1.048	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cn2ccnc2C(C)C)n1	820509962	GESBMXDRGXTIHC-UHFFFAOYSA-N	304.354	1.257	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCCn2cccc2)cc(C#N)n1C	490726514	RSRMSMITOQIVRR-DHDCSXOGSA-N	307.357	1.730	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@@H]2CCS[C@@H]2C)cc1	827648699	FGPATQXRKKKGKP-BXKDBHETSA-N	324.406	1.925	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H](CC)c1ccccc1	823238174	LEUKULYOYQPYTB-ZNMIVQPWSA-N	302.374	1.919	50	20	DDGD	
Cc1nccnc1CCNC(=O)/C(C#N)=C\c1ccc(O)cc1	491160425	LFGRTLRXQSXWOH-UVTDQMKNSA-N	308.341	1.757	50	20	DDGD	
C[C@H]1[C@H](C(=O)NNC(=O)C2CC2)CCN1C(=O)OC(C)(C)C	492666900	BSKKEVXVBQNBDW-GXSJLCMTSA-N	311.382	1.189	50	20	DDGD	
CC(C)(C)OC(=O)NC1CC(=NNC(=O)c2ccccn2)C1	495590132	RFLDRDLJLJSWFP-UHFFFAOYSA-N	304.350	1.855	50	20	DDGD	
C[C@H]1CN(C(=O)[C@]2(C)C[C@@H]2Br)C[C@@H](C)[S@]1=O	907700473	NQXINEBICWOBGE-OTOLJYEQSA-N	308.241	1.528	50	20	DDGD	
COC(=O)N1CCC(CNC(=O)NNc2ccccc2)CC1	496979962	WODSJUUOOPFSRQ-UHFFFAOYSA-N	306.366	1.791	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C/c1ccc(N(C)CCOC)nc1	491084187	NKFTXPRGCZOSOL-RVDMUPIBSA-N	316.405	1.987	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCC[C@H](Cc2ccccc2)C1	584942726	VTJFHBUKWNBQFN-MRXNPFEDSA-N	323.201	1.461	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(SC)oc1C	823810223	JJOROHPPOCJIJT-UHFFFAOYSA-N	301.368	1.290	50	20	DDGD	
O=C(Cc1ccsc1)NN=Cc1ccc(-c2nn[nH]n2)s1	823114984	GTMPMSVGTDVKBR-UHFFFAOYSA-N	318.387	1.683	50	20	DDGD	
O=C(/C=C\[C@H]1CCOC1)NN=c1nc(-c2ccccc2)[nH]o1	493018273	JZPGYATZPPHKIC-ZADCQDASSA-N	300.318	1.194	50	20	DDGD	
CCc1cc(NNC(=O)COC(C)C)nc(-c2ccccn2)n1	738530618	MKESUPFLJNARHF-UHFFFAOYSA-N	315.377	1.969	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cccc(F)n2)nn1C(C)C	823844135	CDIRVTFLSXCYEI-UHFFFAOYSA-N	320.328	1.773	50	20	DDGD	
Cc1ccccc1C(=NNC(=O)[C@@H](C)NS(C)(=O)=O)C1CC1	731926596	LTGKSZBCRHAZTA-LLVKDONJSA-N	323.418	1.163	50	20	DDGD	
Cc1cc(C[C@H](C)NC(=O)[C@]2(C)C[C@@H]2Br)n[nH]1	907058668	ZCTKXIAXBBQQBT-VIRWGQHYSA-N	300.200	1.939	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc2c(c1)N[C@H](C)CC(=O)N2	908113528	VCFJFOUNFWZKDJ-MRVPVSSYSA-N	306.322	1.172	50	20	DDGD	
O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NNc1ncncc1F	492855929	UQHRMYCIADRJCF-UTCJRWHESA-N	303.253	1.680	50	20	DDGD	
COC[C@H](Cc1ccccc1)NC(=O)/C(C#N)=C\c1cnn(C)c1	491175608	LRADUDLVCDVZOX-KZRVJCNKSA-N	324.384	1.701	50	20	DDGD	
COCCCOCCC(=O)NNc1cccc(F)c1[N+](=O)[O-]	834736281	KJJJDBOGOKUNBF-UHFFFAOYSA-N	315.301	1.620	50	20	DDGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cn(CC(=O)O)nn1	490726985	WPAACYYYPKKKQU-IZZDOVSWSA-N	311.301	1.217	50	20	DDGD	
O=C(NCc1noc(-c2cccs2)n1)NNC(=O)C1CCC1	732243576	QWMORRZIPFYBHV-UHFFFAOYSA-N	321.362	1.429	50	20	DDGD	
CS[C@@H](C(=O)NNC(=O)c1ccccn1)c1ccccc1	739676001	KZUZDMGFRXIRIC-CYBMUJFWSA-N	301.371	1.947	50	20	DDGD	
COc1nccnc1NNC(=O)C1CN(C2CCCCC2)C1	839724427	HWOFAIKDLHAZNS-UHFFFAOYSA-N	305.382	1.193	50	20	DDGD	
CN(CC(=O)NNC(=O)c1c(Cl)cccc1Cl)C(=O)O	737393926	UWKHUPGBZIXAPO-UHFFFAOYSA-N	320.132	1.364	50	20	DDGD	
O=C(Cc1ccccc1F)NN=Cc1cc2c(cc1O)OCO2	731319759	FYYCARRAKSSNGO-UHFFFAOYSA-N	316.288	1.953	50	20	DDGD	
OB(O)c1ccc(CNCCCOc2ccccc2)c(F)c1	585014806	FDUVWHRVXGBBFC-UHFFFAOYSA-N	303.142	1.064	50	20	DDGD	
Cc1nc(C)c(C=NNC(=O)CNC(=O)c2ccco2)s1	736431218	YVILERDJSWPWNL-UHFFFAOYSA-N	306.347	1.233	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1cccc(Br)c1F	834971661	GPSYGKHLVLWIKB-UHFFFAOYSA-N	303.131	1.809	50	20	DDGD	
CO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(C)n2)C12CCC2	838770186	WFLYBZQIIXGNRY-CHWSQXEVSA-N	318.377	1.292	50	20	DDGD	
O=C(NN=c1c(=O)c2cccc3cccc1c32)[C@@H]1CCCCO1	834989942	LRQVKTSHLHFYKU-AWEZNQCLSA-N	308.337	1.730	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCCc2ccccc2CC1	831920893	YHBIFQBGWPIRHH-ZDUSSCGKSA-N	303.406	1.423	50	20	DDGD	
CCCc1c(C(=O)NN(C)C(=O)NCC)[nH]c(C)c1C(=O)O	833653333	QNGVVGGXWGNFAN-UHFFFAOYSA-N	310.354	1.280	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(C)cc1	730577176	OOWDECLVHOWIIS-CYBMUJFWSA-N	308.403	1.660	50	20	DDGD	
CC[C@H](C)n1nc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1C	831616593	FNEWCULAFVRJNM-ZMLRMANQSA-N	323.397	1.740	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@H]3C[C@H]3C(=O)O)cc2C1	736804700	HEIVVZFDERGPDS-FKTZTGRPSA-N	322.386	1.355	50	20	DDGD	
O=C(c1ccccc1)N1CC[C@@H](NS(=O)(=O)CCl)C1	830863826	HIIQLWLPWMVOFP-LLVKDONJSA-N	302.783	1.017	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNc2ccccc2S(C)(=O)=O)c1	732304228	SIKOZJCEZDXVFS-UHFFFAOYSA-N	321.358	1.378	50	20	DDGD	
CC(C)COc1ccc(C(=O)NNC(=O)c2cn[nH]c2)cc1	916094649	QCSYWZUPJNHTNM-UHFFFAOYSA-N	302.334	1.519	50	20	DDGD	
O=C(O)[C@H]1CC12CCN(CCCI)CC2	833771483	GVNKUZJIZLGQOG-SECBINFHSA-N	323.174	1.998	50	20	DDGD	
O=C(NNC(=O)C1(c2cccc(F)c2)CC1)[C@@H]1CCCCO1	833250836	MPKYOJKWUSBZTG-ZDUSSCGKSA-N	306.337	1.574	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1cc2c(nc1O)CCCC2	831433525	YNYIYMYKFMNYBP-JLHYYAGUSA-N	301.346	1.726	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(N(C)C)n1	831578726	SYHJODDINGCKMU-MNOVXSKESA-N	321.381	1.034	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	838777787	HOZQOAYKXLRMIS-NEPJUHHUSA-N	322.321	1.106	50	20	DDGD	
O=C(CNCC(F)(F)F)NNc1ccc(OC(F)F)cc1	748660477	LBJBVBMOHFJOGT-UHFFFAOYSA-N	313.226	1.883	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNC(=O)c2cc3ccccc3o2)o1	747418852	GXKCFLBSJWOHAL-UHFFFAOYSA-N	313.269	1.200	50	20	DDGD	
Cc1oc2ncn(C)c(=O)c2c1C(=O)NNc1ccc(C#N)cc1	748116727	FISCJLSVFUVGEA-UHFFFAOYSA-N	323.312	1.464	50	20	DDGD	
COc1ccc(CN(C)CC(=O)NNC(=O)C(C)(C)C)cc1	744384347	NADRTEDBVBOEBB-UHFFFAOYSA-N	307.394	1.321	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCCOC2CCC2)cc1	745907614	DGQIYLGFCJBEGD-UHFFFAOYSA-N	321.377	1.273	50	20	DDGD	
COc1cc(CO)ccc1C(=O)NNC(=S)N[C@@H](C)C1CC1	912162067	USSTZKGDJMDYJY-VIFPVBQESA-N	323.418	1.095	50	20	DDGD	
COc1ccc(-c2cc(CNS(=O)(=O)CCl)on2)cc1	849452125	MDSLTSCWJOHJHT-UHFFFAOYSA-N	316.766	1.966	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCCC(=O)c1ccccc1	911503397	SQSFCMOKYOZPCC-GXTWGEPZSA-N	318.373	1.612	50	20	DDGD	
COc1cccc(C=NNC(=O)c2ccc3c(c2)OCO3)c1O	916289506	VBSFCPSIDWGJQU-UHFFFAOYSA-N	314.297	1.893	50	20	DDGD	
CN1CCCC[C@@H]1C(=O)NNc1ncc(Br)cn1	848321420	RZOFDQRZBREFLG-SECBINFHSA-N	314.187	1.167	50	20	DDGD	
CC(C)NC(=O)[C@@H](C)NC(=O)[C@@H](Br)C(C)(C)C	840546499	MLTCNEXMYJSCAZ-RKDXNWHRSA-N	307.232	1.825	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCCCOc1cccc(C#N)c1	910168271	QRYBMJNZKAIVMC-CYBMUJFWSA-N	305.378	1.451	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(Cl)nc(Cl)c1	843643026	BWJMLPDHAWRMAX-POYBYMJQSA-N	318.160	1.574	50	20	DDGD	
O=C(Cc1ccccc1)NCC(=O)NNc1ccc(Cl)nc1	743815689	IWHIUHSHJSKECZ-UHFFFAOYSA-N	318.764	1.537	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@](C)(O)C2CCC2)cc1	846375579	GGUCGKCMJYCOAJ-INIZCTEOSA-N	306.362	1.396	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)COc1cccc(C(F)(F)F)c1	910183755	TZTLCJZADDJYQY-SECBINFHSA-N	306.284	1.428	50	20	DDGD	
Cc1noc(C(F)F)c1C(=O)NNC(=O)NCc1ccco1	746166924	LFVCDWQADVDPRD-UHFFFAOYSA-N	314.248	1.658	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccc(NC(=O)N(C)C)c1	740177235	MGOOVYGQLWMNPE-UHFFFAOYSA-N	321.406	1.075	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2C[C@H](C)[C@H](C)[C@@H]2C)c1	842166851	OBBAIVIAVOOQMA-IHRRRGAJSA-N	303.406	1.732	50	20	DDGD	
O=C(NCc1ccon1)NNC(=O)c1ccc2ccccc2n1	747510343	KSTAQTCUPUKSSD-UHFFFAOYSA-N	311.301	1.367	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H]1CCCN(Cc2cccnc2)C1	749172545	FANAKRIQVIXHSN-AWEZNQCLSA-N	319.409	1.034	50	20	DDGD	
CC[C@@H](C)c1ccc(S(=O)(=O)NNC(=O)c2cc[nH]n2)cc1	849310699	LCRAOXMNVDGIOL-SNVBAGLBSA-N	322.390	1.547	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)c1cnn2c1CCC2	849366102	PKIFEFXZLGWEEX-UHFFFAOYSA-N	305.269	1.634	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)C(C)(C)c1ccccc1)C(C)C	743638952	UNOAXHIIWJVDSA-CQSZACIVSA-N	321.421	1.966	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc(C(=O)OC(C)(C)C)cn1	843756514	ZGOZFLCNZNWXDH-UHFFFAOYSA-N	307.350	1.454	50	20	DDGD	
C[C@H](Cc1ccncc1)NC(=O)NNC(=O)c1ccccc1O	749622698	ZMSNIEPCHXPKQD-LLVKDONJSA-N	314.345	1.362	50	20	DDGD	
COc1ccc(NNC(=O)c2cnc3n2[C@H](C)CCC3)nc1	845989492	JFEQTLKPIGCCPJ-SNVBAGLBSA-N	301.350	1.941	50	20	DDGD	
C[C@H]1COC[C@@H]1NC(=O)NNC(=O)C(C)(C)c1ccccc1	926000996	VOQYAYCSFZYOBL-AAEUAGOBSA-N	305.378	1.330	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCC2=CCNCC2)cc1	841986682	VGAUYTAYYDWHCE-UHFFFAOYSA-N	316.405	1.503	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccc(NC(=O)C(C)C)cc1	840925279	KNWTWINVACQVOA-UHFFFAOYSA-N	322.365	1.694	50	20	DDGD	
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NNC(=O)CCCN	841191633	DFJWOAMQKPJRIU-UHFFFAOYSA-N	309.326	1.103	50	20	DDGD	
COCC(=O)NNC(=O)Nc1c(C)cccc1OC(F)F	756370429	HWFABUTYOGMVOA-UHFFFAOYSA-N	303.265	1.396	50	20	DDGD	
CC[C@H](C)C(=O)NN=C1CCN(Cc2ccc(OC)cc2)C1=O	853291268	DRDZBPNZFPVQQB-LBPRGKRZSA-N	317.389	1.946	50	20	DDGD	
CO[C@@H](C)CNC(=O)NNC(=O)c1ccc2ccccc2n1	852530250	XSHBOXSQZFWOSY-JTQLQIEISA-N	302.334	1.214	50	20	DDGD	
CCON1CCC(CC(=O)NNC(=O)Nc2ccccc2)CC1	854376541	BPBWWYXRJQOTEX-UHFFFAOYSA-N	320.393	1.893	50	20	DDGD	
CC(C)(C)N1CC[C@@H](NC(=O)NNc2ncncc2Cl)C1	852469418	VDCMJHKZSHIPNO-SECBINFHSA-N	312.805	1.629	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)OCC(F)(F)F)c1ccncc1	856021840	TXNVAZFFRKTDRW-MRVPVSSYSA-N	305.256	1.895	50	20	DDGD	
O=C(C[C@H]1OC(=O)c2ccccc21)NN=c1cc[nH]cc1Cl	757417845	RSDJRPONUKENJS-CYBMUJFWSA-N	317.732	1.902	50	20	DDGD	
O=C(NN=Cc1ccsc1Cl)[C@@H]1CN2CCC[C@@H]2CO1	853389825	ZZOWJFVFFHNCMI-MNOVXSKESA-N	313.810	1.715	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC2CC(C)C2)cc1C	753021101	NSVPDDKIKUMPNJ-UHFFFAOYSA-N	305.378	1.811	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=Cc1cccc(C(N)=O)c1	755506725	MGUHZTJTWYTLTO-UHFFFAOYSA-N	321.340	1.506	50	20	DDGD	
CC1CC(NC(=O)NNC(=O)Cn2ccc3ccccc32)C1	753019777	ISWHWBPKNGLENS-UHFFFAOYSA-N	300.362	1.770	50	20	DDGD	
Cc1cc(NNC(=O)CS(=O)(=O)C(C)C)ccc1Cl	928341480	APNQXILZDUNPMM-UHFFFAOYSA-N	304.799	1.915	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCC[C@H](C)CO	759888893	HSBPSXRDSMXDKS-JTQLQIEISA-N	301.818	1.877	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C1CC(F)(F)C1	753563183	NEEBZLOKDOVKJW-UHFFFAOYSA-N	314.288	1.267	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NN=Cc3cnnn3C)cc2C1	751133184	AYKSOSVXYARDTM-VIFPVBQESA-N	303.391	1.765	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@]1(C)CCC[C@@H]1C	854285555	MWDPAZBVZYZHNG-FZMZJTMJSA-N	301.456	1.687	50	20	DDGD	
COCCS(=O)(=O)CC(=O)NNc1ccc(Cl)cc1C	928336660	XKDFMRQNLWSCHM-UHFFFAOYSA-N	320.798	1.153	50	20	DDGD	
C[C@H](O)CN(C(=O)NC[C@@]1(C)C[C@@H]1Br)C1CC1	856958075	DUSHPYRFBXHISY-PTOFAABTSA-N	305.216	1.715	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C1CC1	920053108	CQBCSMODXLVMON-YGRLFVJLSA-N	319.361	1.203	50	20	DDGD	
C[C@H]1CC[C@@H](CNC(=O)NNc2ccc([N+](=O)[O-])cc2F)O1	854127280	SUNRCIMCICRPDR-WPRPVWTQSA-N	312.301	1.928	50	20	DDGD	
CC(C)(C)[C@H](NC(N)=O)C(=O)NC[C@]1(C)C[C@H]1Br	857387907	OEWZKQRFULJIQA-RWYTXXIDSA-N	320.231	1.359	50	20	DDGD	
Cc1nc(S(=O)(=O)NC[C@@]2(C)C[C@@H]2Br)cn1C	856756933	UAQLHDXSNBYGKI-WCBMZHEXSA-N	322.228	1.180	50	20	DDGD	
O=S(=O)(CBr)NCC1(CCO)CCCCC1	758516336	JERUTNPRTUGKHM-UHFFFAOYSA-N	314.245	1.591	50	20	DDGD	
COC[C@@H](OC)C(=O)Oc1ccc([N+](=O)[O-])c2ncccc12	857606668	AJDINMAXIBWWBP-GFCCVEGCSA-N	306.274	1.710	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@](C)(NC(C)=O)C(C)C)c1	935299281	UIXIMSWBLNVBEY-INIZCTEOSA-N	321.377	1.467	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cnn2cccc(Cl)c12	854682439	AXZLUERUZNPTMT-NSHDSACASA-N	322.752	1.318	50	20	DDGD	
CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)NNc1ccncn1	852694234	QZBBDJXKYUSFOQ-QMTHXVAHSA-N	307.354	1.225	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)COc2ccccc2F)sn1	756856086	JPYIWWMNPJHBIU-UHFFFAOYSA-N	324.337	1.822	50	20	DDGD	
CSSCCNC(=O)N1C[C@H]2[C@H]3CC[C@@H](NC3)[C@H]2C1	861632666	NFCBEMUYMHRRNI-FIQHERPVSA-N	301.481	1.637	50	20	DDGD	
Cc1ccc(F)c(CC(=O)NNC(=O)Cc2cc(C)[nH]n2)c1	869016113	FSWIPJQIEPBFFM-UHFFFAOYSA-N	304.325	1.098	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNc2nccnc2C(C)C)n1	867850660	HOLBVILSGSPPOV-LLVKDONJSA-N	302.382	1.884	50	20	DDGD	
COc1ccc(CC(=O)NNC(=S)N[C@@H](C)C2CC2)cc1O	869219121	SYDOXEVQNLALOL-VIFPVBQESA-N	323.418	1.237	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)OC[C@H](CBr)C1CC1	869675294	OHFSBEIRTYVLEW-WDEREUQCSA-N	306.200	1.865	50	20	DDGD	
COc1ccc2cc(C(=O)NNC(=O)c3cc(C)[nH]n3)[nH]c2c1	768273301	CFURJOVYVVJJEX-UHFFFAOYSA-N	313.317	1.283	50	20	DDGD	
COc1ccc2nc(C)c(C(=O)N3CC[C@@H](B(O)O)C3)cc2c1	864230679	CFSFKBKKOKBPNZ-GFCCVEGCSA-N	314.150	1.241	50	20	DDGD	
COC(=O)CCCC(=O)NNc1ccc(Br)nc1	764460840	AOHGCBAICXGFJC-UHFFFAOYSA-N	316.155	1.631	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)c1ncccc1O	765404368	SOTPDCCFXSBWSI-UHFFFAOYSA-N	319.342	1.046	50	20	DDGD	
COc1cccc(NNC(=O)Cc2ccccc2NC(C)=O)n1	768184123	AKZCBRBWROTJEP-UHFFFAOYSA-N	314.345	1.734	50	20	DDGD	
Cc1cc(=NNC(=O)c2ccnc(NC(=O)C3CC3)c2)cc[nH]1	862513663	KKVGVRGGVFMQOJ-UHFFFAOYSA-N	311.345	1.312	50	20	DDGD	
CC[C@H](C)[C@@H](C(=O)NNC(=O)COCCOC)c1ccccc1	869909657	FBNLBFTUPMSIOO-XJKSGUPXSA-N	322.405	1.627	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=Cc1ccc(F)cc1Cl	767787157	FVPXSSRIMDWYRW-UHFFFAOYSA-N	324.699	1.373	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2C[C@H]3C[C@H]2C(=O)O3)cc1	861872809	SUDYBJQNDHRCBZ-KWMLIXQSSA-N	312.325	1.519	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1ccc(Br)cn1	869116599	GFADMLDOVNGUDJ-UHFFFAOYSA-N	315.171	1.331	50	20	DDGD	
O=C(CCCOC1CCOCC1)NNc1ncc(Cl)cn1	869354840	PPRUXWSPNNZRRV-UHFFFAOYSA-N	314.773	1.549	50	20	DDGD	
CC(C)Oc1ncc(C(=O)N2CC[C@H](B(O)O)C2)cc1Cl	864231749	ROKAJHFCANAJFH-JTQLQIEISA-N	312.562	1.211	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1ncn(-c2ccccc2)n1	768513302	VBDCKJOFKNGRMK-UHFFFAOYSA-N	319.328	1.901	50	20	DDGD	
CCc1ccc(CC(=O)NNC(=O)Cc2cc(C)[nH]n2)cc1	869014576	UNIIBPGBUDLXBU-UHFFFAOYSA-N	300.362	1.213	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)C(C)=C(C)C	768636753	YDSOKJFIVWFJFQ-UHFFFAOYSA-N	312.391	1.898	50	20	DDGD	
Cc1onc(-c2ccc(F)cc2)c1C(=O)N1CC[C@@H](B(O)O)C1	864234139	NOVWRHPIWMYVKO-LLVKDONJSA-N	318.113	1.478	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2CCCC2)c(C)c1	764066371	LQRQGKOVVIXGLH-UHFFFAOYSA-N	303.362	1.580	50	20	DDGD	
CC(=O)Nc1ccccc1CC(=O)NNC(=O)c1ccncc1	767395583	FBQOUKJEUAKXTM-UHFFFAOYSA-N	312.329	1.044	50	20	DDGD	
O=C(C[C@H]1CCCC(=O)N1)NNC(=O)c1ccccc1Cl	1117610999	ONJPDQNJGBSOHB-SECBINFHSA-N	309.753	1.160	50	20	DDGD	
O=C(COC(=O)C1CCC=CCC1)NNC(=O)c1ccccc1	873429622	BHLCTAYRZXYKIL-UHFFFAOYSA-N	316.357	1.737	50	20	DDGD	
CCOCCONC(=O)NNC(=O)CCCc1ccccc1	773260129	ARHPUNUBDYZSSP-UHFFFAOYSA-N	309.366	1.308	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1ccn(C(F)F)n1	774784631	XYARFOZLLJMCKP-UHFFFAOYSA-N	304.260	1.978	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(C(C)=O)cs1	772098531	UNJALZJAPHXJQW-QMMMGPOBSA-N	312.347	1.053	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)c1nccs1	772935420	UOONUECXTXDHAZ-UHFFFAOYSA-N	308.388	1.783	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNc2ccccn2)nc1C	777471631	UQSZJOCRXRTOSG-UHFFFAOYSA-N	300.318	1.719	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1ccnn1C	873853851	DEPOUQXLTZBYLN-UHFFFAOYSA-N	317.418	1.922	50	20	DDGD	
CCOC(=O)c1ccc(C=NNC(=O)Cc2csc(C)n2)[nH]1	872332600	QDISCROFQATSEY-UHFFFAOYSA-N	320.374	1.649	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	770575256	PPBGIAQCQIGZCB-ZJWDHLRQSA-N	306.406	1.775	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccc(-n2cnnn2)cc1	772889974	GRHAMLQRZZMEGG-UHFFFAOYSA-N	324.348	1.333	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@H](C)N2CCC(C)CC2)cc[nH]1	875169481	ADJHXEDHKXBUKN-AWEZNQCLSA-N	305.426	1.558	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C#N)cc1)c1cnn(C)c1C	778538670	PMBBKCNHBGURKP-UHFFFAOYSA-N	311.345	1.519	50	20	DDGD	
COc1cccc(CNC(=O)NN=c2cc[nH]c(C)c2)c1OC	875121656	COPXYDKIBQQSPN-UHFFFAOYSA-N	316.361	1.655	50	20	DDGD	
CCC[C@@H](C)N1C[C@@H](C(=O)NNc2ccc(F)cn2)CC1=O	874651176	KPVGXIGVVKRHLN-MNOVXSKESA-N	308.357	1.701	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)COCC(F)(F)F)c1	873774129	DZXYRYUAFIQKDF-UHFFFAOYSA-N	321.324	1.892	50	20	DDGD	
O=C(NNc1ccc(F)cn1)C1(n2cnnn2)CCCCC1	874647579	XNUQKUNJICHMQG-UHFFFAOYSA-N	305.317	1.010	50	20	DDGD	
N#Cc1ccc(NNC(=O)Nc2ccc(C(N)=O)cc2F)cc1	775650614	OUNHFVRGEMPXJR-UHFFFAOYSA-N	313.292	1.945	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)C(=O)OC[C@H](C)CBr	770318665	QPNPMCPWXDKBCI-SSDOTTSWSA-N	317.183	1.794	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CC(C)(C)Oc2ccccc21	779815869	CQTKRJHMKJMZIJ-UHFFFAOYSA-N	305.334	1.424	50	20	DDGD	
C[C@]1(COC(=O)[C@H]2CCCN(C(N)=O)C2)C[C@@H]1Br	1123039414	OAWIIUYCLHFEOV-HOTUBEGUSA-N	319.199	1.494	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCOC2(CCC2)C1)c1ccccc1F	887625656	ADCJJMNKRLEKPV-LLVKDONJSA-N	306.337	1.936	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1csc(-c2ccoc2)n1	887144469	NZFDVKVISIMWMP-UHFFFAOYSA-N	317.370	1.897	50	20	DDGD	
CCOc1nc(C(=O)NNC(=O)CCCc2ccccc2)co1	772796083	ZTOZPNYDBXBWGO-UHFFFAOYSA-N	317.345	1.857	50	20	DDGD	
C[C@H]1CCCC[C@@H]1CCNC(=O)NNC(=O)C1CCOCC1	883412771	OEHONFKPCUIQOX-QWHCGFSZSA-N	311.426	1.960	50	20	DDGD	
COc1ccc(C=NNC(=O)C(C)(C)O)cc1OC(F)F	785461787	XKGUKPVHPXHJSI-UHFFFAOYSA-N	302.277	1.518	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@@H](F)C(C)C	784146009	YJRYUIQJKXSCQU-HNNXBMFYSA-N	320.368	1.740	50	20	DDGD	
COc1ccc(NNC(=O)COc2cccc([N+](=O)[O-])c2)nc1	781526238	CFLDUXVFIFBTRE-UHFFFAOYSA-N	318.289	1.521	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnn(-c2ccccc2)c1CC	780712587	SDPFUSRFUBYBMV-UHFFFAOYSA-N	315.377	1.741	50	20	DDGD	
Cc1nc(C(C)C)ccc1C(=O)NNC(=O)C1CCOCC1	883070563	VIKVXHIOMXZBHW-UHFFFAOYSA-N	305.378	1.701	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1noc(-c2ccc(F)cc2)n1	895689548	YQGOGVOFEBQIRR-UHFFFAOYSA-N	318.308	1.827	50	20	DDGD	
Cn1ncc(Cl)c1C=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1	780196732	IPHLCOJHJDSOOE-UHFFFAOYSA-N	322.712	1.328	50	20	DDGD	
Cn1ncc(Cl)c1C=NNC(=O)Cc1cn2ccccc2n1	780229767	HIBMBXKJELNGHK-UHFFFAOYSA-N	316.752	1.414	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CC[C@@](C)(c2ccccc2)C1	780242523	FODJKQLSMJWPFE-MRXNPFEDSA-N	303.362	1.956	50	20	DDGD	
C[C@H]1CCCC(=NNC(=O)CNC(=O)c2cccnc2)[C@H]1C	781125905	WCNHGBKZHHISKG-RYUDHWBXSA-N	302.378	1.740	50	20	DDGD	
O=C(NCC1CC1)NN=C1CCOc2c1cc(F)cc2[N+](=O)[O-]	783831976	DNLSLUDQHXQMEW-UHFFFAOYSA-N	322.296	1.930	50	20	DDGD	
C/C=C(/CC)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1	789228054	PHOAZKOYHHXBFM-BASWHVEKSA-N	315.329	1.219	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H]1CCC[C@@H](C(N)=O)C1	787220447	ALNSMDZTOOPRNS-MNOVXSKESA-N	319.361	1.208	50	20	DDGD	
CN1CCC[C@H]1c1cc(C(=O)NNc2cc(Cl)ccn2)n[nH]1	897330652	BEQBIYLBBOLUBP-LBPRGKRZSA-N	320.784	1.982	50	20	DDGD	
C[C@H](NC(=O)CCC(=O)NNC(=O)C1CC1)c1ccccc1	895462229	KQOPVVDRFADLMZ-NSHDSACASA-N	303.362	1.201	50	20	DDGD	
CC(C)n1ccc(NC(=O)C(=O)NNc2ccc(Cl)nc2)n1	797081337	QFSAHOJKSIFYLH-UHFFFAOYSA-N	322.756	1.594	50	20	DDGD	
CS[C@@H]1CC[C@H](NC(=O)NNc2nc3ccccn3n2)C1	790399620	RGNVIBSWZVJMGW-VHSXEESVSA-N	306.395	1.640	50	20	DDGD	
COC(=O)COc1ccc(C(=O)NCCSSC)cc1	791096458	DAUYADQFLNKDIX-UHFFFAOYSA-N	315.416	1.979	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2F)cn1	796917451	WGHYSRDQELHZOQ-UHFFFAOYSA-N	322.727	1.991	50	20	DDGD	
COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC=C(C#N)CC1	795160568	WILWOZHQSRNVNA-UHFFFAOYSA-N	323.330	1.448	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccn1Cc1ccccc1	798304829	BYWNSMDDOQYQJC-UHFFFAOYSA-N	314.414	1.831	50	20	DDGD	
CCCCNC(=O)NNC(=O)C1(c2cccc(OC)c2)CC1	795588443	SSIQQOJMIPLHLZ-UHFFFAOYSA-N	305.378	1.857	50	20	DDGD	
CCC[C@@H](CCCS(C)(=O)=O)C(=O)NNc1cccnn1	790020288	PVCURIQNCZYNQQ-NSHDSACASA-N	314.411	1.161	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	795985004	DRVZXQJOQOKPGH-LOWVWBTDSA-N	316.398	1.173	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)NCC(F)(F)F)[C@H](n2cncn2)C1	794493765	FTHDWLGWZQXFDV-WCBMZHEXSA-N	318.303	1.857	50	20	DDGD	
O=C(NNC(=O)c1ncoc1[C@H]1CCCO1)c1ccccc1F	1318503205	ZXHOAHHGLYHITP-LLVKDONJSA-N	319.292	1.740	50	20	DDGD	
CC(C)(C)n1cc(C(=O)C(=O)NNc2ncc(Cl)cn2)cn1	1328661483	IUGUAPNBBGXUCS-UHFFFAOYSA-N	322.756	1.408	50	20	DDGD	
COC(=O)c1cccc(C=NNC(=O)NCC(F)(F)F)c1	1323857868	SXGFBXFBLATOOL-UHFFFAOYSA-N	303.240	1.669	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2n[nH]cc2C1)c1ccccc1Cl	1320213288	XNQAAOGUOJZBEU-SECBINFHSA-N	318.764	1.629	50	20	DDGD	
COCCN(C)NC(=O)c1occc1NC(=O)OC(C)(C)C	1324665160	HMEKTZFBTBSSQT-UHFFFAOYSA-N	313.354	1.850	50	20	DDGD	
Cc1cc(C=NNC(=O)c2nnc(-c3ccccc3)o2)ncn1	1326193616	PYBOXSGDBVLILK-UHFFFAOYSA-N	308.301	1.599	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cnn(Cc2cccnc2)c1	1320130186	JPAPXRLCZVSJBQ-UHFFFAOYSA-N	316.365	1.525	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2nncc(N)c2Cl)CS1	1325275863	WLKODUHFQYINGC-RITPCOANSA-N	302.791	1.232	50	20	DDGD	
COC(=O)C(=O)NN=C(C[C@H]1CCOC1)c1ccc(F)cc1	1330189461	AFMUILYEUCUTNG-SNVBAGLBSA-N	308.309	1.246	50	20	DDGD	
O=C1CCC(=NNC(=O)C2CCOCC2)c2ccccc2N1	1331350274	JUMJHACSLQCCOF-UHFFFAOYSA-N	301.346	1.666	50	20	DDGD	
CCn1c(C(=O)NNC(=O)C2CCOCC2)cc2ccccc21	1331290434	RDDXYFWHKBNMQO-UHFFFAOYSA-N	315.373	1.849	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CC[C@]2(CCOC2=O)C1	1337667673	NFCFOYAOLABEKR-VEMDQMBVSA-N	312.325	1.465	50	20	DDGD	
COc1cc(C=NNC(=O)C2CCOCC2)cc(OC)c1O	1331359769	GFLLRVXDQFCOES-UHFFFAOYSA-N	308.334	1.286	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1ccccc1Cl)n1ccnc1	1349522208	PBGWAZPFNQJRQV-JTQLQIEISA-N	306.753	1.949	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cncc(C(=O)O)c2)n1	1607959644	ZGMVXDGSYFIFEH-UHFFFAOYSA-N	307.697	1.289	50	20	DDGD	
O=C(Cc1ccsc1)NNC(=O)Nc1cc(C(=O)O)ccn1	1601372859	ONSVXGOLCAPVGM-UHFFFAOYSA-N	320.330	1.237	50	20	DDGD	
O=C(CCc1ccc(C(=O)O)cc1)NNc1ncccc1F	1601288455	SNODINWBLBTUGE-UHFFFAOYSA-N	303.293	1.995	50	20	DDGD	
CCC[C@H](CNC(=O)NNc1ccc(C(=O)O)c(F)c1)OC	1609956479	VCLBDQVHVBYOGI-SNVBAGLBSA-N	313.329	1.965	50	20	DDGD	
CC(C)(C)OC(=O)Nc1ncc(C=NNC(=O)C(=O)O)s1	1603496222	NYNZDIXIJXRJMO-UHFFFAOYSA-N	314.323	1.025	50	20	DDGD	
Cc1cc(NNC(=O)Cn2ccc(C(=O)O)n2)ccc1Cl	1600282520	DYHZBHUTWMJIFM-UHFFFAOYSA-N	308.725	1.686	50	20	DDGD	
C[C@H](Cc1ccc(NC(=O)NNC(=O)CC2CC2)cc1)C(=O)O	1609753907	FJGAQZVTXVDITH-SNVBAGLBSA-N	319.361	1.903	50	20	DDGD	
COc1ncc(C(=O)NNc2ccc(C(=O)O)cc2F)cn1	1607359594	JBZOIEHXNMQOTC-UHFFFAOYSA-N	306.253	1.079	50	20	DDGD	
Cc1c(NC(=O)[C@@]2(C)C[C@H]2Br)cnn1CC(=O)O	1607541133	UVUPAZDBFNVRDF-KCJUWKMLSA-N	316.155	1.388	50	20	DDGD	
N#Cc1csc(CNC(=O)NNc2cccc(C(=O)O)c2)n1	1608222505	SNEAZKDOIMMMMN-UHFFFAOYSA-N	317.330	1.539	50	20	DDGD	
CC(C)[C@@H]1C[C@H](C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)CCO1	1549321065	PRZQDTHDVKXPMG-LVQVYYBASA-N	323.437	1.403	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNc1ccc(C)c(C(=O)O)c1	1610074061	WNCOMZLZIFCGQO-UHFFFAOYSA-N	302.334	1.746	50	20	DDGD	
Cc1cccc(CNC(=O)NNc2ccc(-c3nn[nH]n3)cn2)c1	1581240081	AXOSOTNSNASBIK-UHFFFAOYSA-N	324.348	1.396	50	20	DDGD	
C[C@H](CC(=O)O)NC(=O)NNC(=O)c1ccc2ccccc2n1	1589002846	ZFUFOWPAOLSSAJ-SECBINFHSA-N	316.317	1.042	50	20	DDGD	
C=CCn1cc(C(=O)NNc2ccc(C(=O)O)c(F)c2)nn1	1588910444	YPHISMFJGPIXPX-UHFFFAOYSA-N	305.269	1.058	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H](O)C(C)C)C1	1841422151	FQBSUIOSMBIHPV-NWDGAFQWSA-N	316.829	1.224	50	20	DDGD	
CC(C)(C(=O)O)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	1588618532	NPHBBOASPBREKE-UHFFFAOYSA-N	324.724	1.944	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1	1590797667	ZHBGDWTZJCLDCU-AVMBBCFPSA-N	312.333	1.488	50	20	DDGD	
CCC(=O)N1CC2(CCCN2C(=O)[C@H](Br)CC)C1	1846069473	CNQWNUFEGBFOQL-SNVBAGLBSA-N	317.227	1.773	50	20	DDGD	
C[C@]1(C(=O)NCc2ccc(C(=O)O)o2)C[C@H]1Br	1593756131	CVALCQDTYMPESU-KCJUWKMLSA-N	302.124	1.768	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)O	1590701930	UVWUOROIVMSRON-GARJFASQSA-N	323.842	1.766	50	20	DDGD	
C[C@@H](c1nc(C(=O)O)co1)N1C[C@H]2[C@H](Br)[C@H]2C1	1593730821	VFFPVSKCOMQTLB-XZMZPDFPSA-N	301.140	1.759	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(C)cc(C(=O)O)c2)n1	1594057326	CSYBBWFCEKCELW-UHFFFAOYSA-N	316.317	1.557	50	20	DDGD	
O=C(NNC(=O)[C@@]1(C(=O)O)CC=CCC1)Nc1ccccc1	1594778835	BEXMYFRLOIBEMJ-OAHLLOKOSA-N	303.318	1.650	50	20	DDGD	
C[C@]1(C(=O)Nc2cccc(CC(=O)O)n2)C[C@@H]1Br	1593761381	IMPXDWLUGHKFLF-UFBFGSQYSA-N	313.151	1.821	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNc2cccc(F)c2C(=O)O)CCC1=O	1594204109	UPOZGYGJNCPVOQ-BDAKNGLRSA-N	308.309	1.972	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](C(=O)O)C2CC2)c([N+](=O)[O-])c1	1594105344	IUEIYPADQPKLDE-NSHDSACASA-N	309.278	1.157	50	20	DDGD	
COCCCS(=O)(=O)/C(C#N)=C/c1cccc(C(=O)O)c1	1777206969	GZTPUFFNRXIOIY-UKTHLTGXSA-N	309.343	1.701	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C\c1cc(C(=O)O)c(OC)cc1OC	1776120416	GLDQWGCMIICIFU-WDZFZDKYSA-N	316.313	1.611	50	20	DDGD	
CCCn1ccc2ccc(NC(=O)C(=O)NNC(C)=O)cc21	161280836	SUSYRXRPNXILKP-UHFFFAOYSA-N	302.334	1.157	50	20	DDGD	
Cc1ncc([N+](=O)[O-])cc1C(=O)NNc1cccc([N+](=O)[O-])c1	151796105	YYWKYMJCDTVXKA-UHFFFAOYSA-N	317.261	1.963	50	20	DDGD	
CC(=O)CCCCCCC(=O)NNC(=O)Cc1cccnc1	152442914	MVLTXDAIWRVJEE-UHFFFAOYSA-N	305.378	1.701	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccc2nc(S)oc2c1	157537116	FORICIUFUCTNDX-UHFFFAOYSA-N	305.294	1.803	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CC23CCOCC3)c([N+](=O)[O-])c1	155360000	IWKXVOVQKXAMIM-LLVKDONJSA-N	321.333	1.863	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1ccnn1C[C@@H]1CCOC1	159224922	JAKISHHICQWPQA-NSHDSACASA-N	323.397	1.509	50	20	DDGD	
CCCN(CC)c1ccc(C(=O)NNC(=O)c2ccc[nH]2)cn1	159161978	LDUBFFBHHTUFPR-UHFFFAOYSA-N	315.377	1.721	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H]1CC[C@H](CO)CC1	194765028	ZLNKMNOWBMKQRB-AKQDQENZSA-N	300.358	1.966	50	20	DDGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cnn(C)c2)cc1OC	208454303	OTMJJTPYMYPGSD-SDQBBNPISA-N	312.329	1.983	50	20	DDGD	
Cc1ccc(CN(CCN(C)C)S(=O)(=O)CCCCl)o1	37842896	MSWLFJXAHQOVCO-UHFFFAOYSA-N	322.858	1.910	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)n1C	23567519	TTXJEHYCCWLMTP-NSHDSACASA-N	319.336	1.701	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2oc(C)nc2C)c1	173614046	QJUHWZLRZJKKPT-UHFFFAOYSA-N	303.318	1.440	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CCOCC(C)C)cc1	55707823	IXSJAFPXSODIPK-UHFFFAOYSA-N	322.405	1.838	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NNc2cnccn2)C1	114882386	QRJOKPYJYKRHSO-NEPJUHHUSA-N	305.382	1.204	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CCCN2Cc2ccccc2)ncn1	172271592	RKSTZKYMMQQSJZ-OAHLLOKOSA-N	311.389	1.893	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(Cc2cc(C)no2)CC1	178951362	MURHOYGJNSCFPN-ACCUITESSA-N	304.350	1.071	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c(O)c1	21001338	UYUPFRIFNRISFG-UHFFFAOYSA-N	315.285	1.684	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNC(=O)c1cccc(C#N)c1	104899965	DHHUPMLBPKSVOM-UHFFFAOYSA-N	316.361	1.016	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)CCc2ccccn2)cc1	62931231	BIKJTQJYDYTDPT-UHFFFAOYSA-N	324.340	1.112	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)NCc1ccncc1	104819989	MZNWJWRDWJWCMF-UHFFFAOYSA-N	323.356	1.567	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=S)NC(C)(C)C)c1	28716884	JXPBARAMPVMFSR-UHFFFAOYSA-N	309.435	1.976	50	20	DDGD	
C[C@@H]1[C@@H](C(=O)NNC(=O)Cc2ccc(Cl)cc2)C1(F)F	1345525891	HZBUYQDKYLZBRT-HQJQHLMTSA-N	302.708	1.931	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)CC1CCCC1)NC(=O)C1CCCC1	170731317	ZNBDRECPGSICRD-GFCCVEGCSA-N	323.437	1.799	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1ccc2nccn2c1	68232528	CXBMJNPJSYKQLP-UHFFFAOYSA-N	319.324	1.890	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1cccc([N+](=O)[O-])c1	60463287	WXPCATUVDPRFMT-UHFFFAOYSA-N	314.301	1.468	50	20	DDGD	
CCC1CC(=O)C(=CNNC(=O)c2ccccc2OC)C(=O)C1	171770304	VPDSEPIQTONVKR-UHFFFAOYSA-N	316.357	1.772	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)NC2CC2)c1OC	68270236	ZISWEZBAWQQDPT-UHFFFAOYSA-N	307.350	1.129	50	20	DDGD	
O=C(C=C1CCSCC1)NNC(=O)c1n[nH]c2c1CCCC2	1341662552	WGTNZWPTOSPJAC-UHFFFAOYSA-N	320.418	1.503	50	20	DDGD	
O=C(NNc1ccc(F)cc1Br)[C@H]1COCCO1	178912905	ZEMOHBTULUSMPJ-SNVBAGLBSA-N	319.130	1.447	50	20	DDGD	
CC(C)O[C@H]1CCCN(S(=O)(=O)CBr)C1	404738795	GQSLYZMJZXCEDJ-VIFPVBQESA-N	300.218	1.558	50	20	DDGD	
CN(CCCNC(=O)NNC(=O)c1ccc[nH]1)C1CCCCC1	127245327	QCNXHTYFCHBTMV-UHFFFAOYSA-N	321.425	1.613	50	20	DDGD	
O=C(CCCc1c[nH]c2ccccc12)NNC(=O)NC1CC1	64429042	BYRGBKPLSUYVQV-UHFFFAOYSA-N	300.362	1.983	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2ccc(F)cc2O)n1	124153419	IRHGPXUUHKAVFC-UHFFFAOYSA-N	319.340	1.924	50	20	DDGD	
C[C@H]1CCCN(CCNC(=O)NNc2ccc(Cl)nn2)C1	127095599	YLXOTTOCEKHPCG-JTQLQIEISA-N	312.805	1.488	50	20	DDGD	
COCCC[C@H](C)C(=O)NNC(=O)COc1ccc(C)cc1	182607699	LPOTUQBVBHFIDO-ZDUSSCGKSA-N	308.378	1.584	50	20	DDGD	
CC(C)Cc1cc(C(=O)NNC(=O)c2cccnc2)cc(O)n1	183406834	PBYKMEHYWTYPJL-UHFFFAOYSA-N	314.345	1.456	50	20	DDGD	
CCc1nc(NC(=O)NNC(=O)Cc2cccnc2)sc1C	186271630	UIANJKUMSLNSGY-UHFFFAOYSA-N	319.390	1.804	50	20	DDGD	
CN1CCc2cc(/C=C(/C#N)C(=O)NC[C@H]3CCCO3)ccc21	129714877	SAPJXCVOTHBJMI-DDITZMBXSA-N	311.385	1.881	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCC[C@@H](c2ncc[nH]2)C1	372449235	YKQBKRPJZGSDHO-LLVKDONJSA-N	305.831	1.938	50	20	DDGD	
Cn1cccc1C(=O)NNc1nnc(-c2ccccn2)s1	188204043	NAQMYUDSZFJFPD-UHFFFAOYSA-N	300.347	1.696	50	20	DDGD	
O=C(CSC1(CO)CCCCC1)NNC(=O)c1ccccc1	312976506	MQSMZDLPHLFMTB-UHFFFAOYSA-N	322.430	1.876	50	20	DDGD	
CCCn1cc(NC(=O)C(=O)NNc2cc(C)cc(C)c2)cn1	131890582	UKSNOCBYRUOIGP-UHFFFAOYSA-N	315.377	1.992	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CC[C@@H]2CCCO2)cc1	76949517	GZWGFPNUASXIBL-AWEZNQCLSA-N	305.378	1.514	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(F)c(C)cc1F	133391723	DJDHCERFUKCHBV-UHFFFAOYSA-N	301.293	1.254	50	20	DDGD	
CCN(CC)C(=O)CCCC(=O)NNC(=O)c1ccc(C)o1	84380127	NUERIJCAGUYQGT-UHFFFAOYSA-N	309.366	1.388	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(C#N)cc2)o1	84461492	RORJAELIXPMHHL-UHFFFAOYSA-N	305.315	1.083	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H](C(C)C)N2CCCC2=O)n1	195146976	VZXPGIDUVCJZKX-CYBMUJFWSA-N	305.382	1.184	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(C)(C)O	190051545	BKOAQSUHKGUVSL-QMMMGPOBSA-N	300.742	1.026	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)C2(C#N)CCC2)o1	134679364	LTUWQKKEVKPWSQ-UHFFFAOYSA-N	318.377	1.576	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)NC[C@@H]2C[C@H]2C)cc1	47099121	CUZJZMBYFFKFKM-MNOVXSKESA-N	307.350	1.060	50	20	DDGD	
O=C(C[C@H]1CCCCO1)NNC(=O)Cn1cnc2ccccc21	86978694	PPCQNXXDPVMBOA-GFCCVEGCSA-N	316.361	1.143	50	20	DDGD	
Cc1ccc(C)n1-c1ccsc1C(=O)NNC(=O)C(C)(C)O	192919556	OGQQUUYSQSFLDC-UHFFFAOYSA-N	321.402	1.688	50	20	DDGD	
COc1cc(/C=C(\C#N)S(=O)(=O)N(C)C)cc(Cl)c1O	195317825	WXJGHBSNXSYXDX-RUDMXATFSA-N	316.766	1.810	50	20	DDGD	
Cn1c(=NNC(=O)c2ccc(C=O)[nH]2)sc2ccccc21	255143999	GOIPCBQEIJYZGY-UHFFFAOYSA-N	300.343	1.626	50	20	DDGD	
COc1cc(OC)cc(S(=O)(=O)NNC(=O)C(C)(C)C)c1	268958926	KLXYBFJSKLJONC-UHFFFAOYSA-N	316.379	1.059	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CSCC(=O)c1ccccc1	263827864	OFQWGJIWVLEATQ-UHFFFAOYSA-N	309.391	1.341	50	20	DDGD	
CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NNC(=O)C1CCC1	264673628	HGFXIWVOVXACOP-GFCCVEGCSA-N	323.418	1.450	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2ccccc2F)c(C)n1C	264490312	BFLHLYFZQLDBBH-UHFFFAOYSA-N	303.337	1.785	50	20	DDGD	
CSCC[C@H](NC(N)=O)C(=O)NNc1cccc(F)c1F	266559888	PELNRMPKHLRZRX-VIFPVBQESA-N	318.349	1.198	50	20	DDGD	
CC[C@H]1C[C@H](CC(=O)NNC(=O)c2ccc(C#N)cc2)CCO1	273169811	KITWGVJYLJBHQD-HIFRSBDPSA-N	315.373	1.915	50	20	DDGD	
COc1ccc2c(c1)OC[C@H](NC(=O)NNc1ncccn1)C2	271126032	KOIPRPSJDGQACC-LLVKDONJSA-N	315.333	1.115	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCNC(=O)C[C@H]1C	369916641	VPTBTGNOSYUMCJ-SECBINFHSA-N	312.801	1.089	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1cc(F)ccc1C	272371055	RYEBIHSJGLGHDX-JTQLQIEISA-N	313.329	1.338	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NOC[C@H]1CCOC1	276310126	VTBCFYWXSPPXPC-AWEZNQCLSA-N	321.377	1.308	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNc2nc3ccccc3c(=O)n2C)CCO1	271864984	MILSVRBKABOOGY-MNOVXSKESA-N	316.361	1.192	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H]1C(=O)NNc1cc(F)c(F)cc1F	285874032	WAZPGVMZKSPNMJ-BQBZGAKWSA-N	302.252	1.746	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1	286282360	OGXSNLFDDKCPKI-OJLMFNQTSA-N	306.284	1.450	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CCCC(=O)N(C)C	288530149	CVWNFFRSQKUHQX-UHFFFAOYSA-N	308.338	1.605	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2ccc(Cl)c(F)c2)CC1	282913917	NCLJMKJPKDGYEX-UHFFFAOYSA-N	314.748	1.081	50	20	DDGD	
O=C(CCCCc1c[nH]nn1)NNc1nccnc1C1CCC1	287351418	ZSFHQRIJQGZVPV-UHFFFAOYSA-N	315.381	1.718	50	20	DDGD	
CN(CCCNC(=O)NNc1cccc(F)n1)CC(F)(F)F	286570621	JAOVIZRGAFFNNF-UHFFFAOYSA-N	323.294	1.731	50	20	DDGD	
COC[C@H](C)CNC(=O)NNC(=O)Nc1ccc(Cl)cc1	296210908	DAQXFHMLKMMINH-SECBINFHSA-N	314.773	1.958	50	20	DDGD	
COc1ccc(COC(=O)/C(C#N)=C/c2ccc(O)cc2)nn1	801279083	RZXWSRDUUFQHGW-XYOKQWHBSA-N	311.297	1.841	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)Nc2ccc(OC)cc2)O1	802057378	PZOVITGQJKWSAA-YPMHNXCESA-N	307.350	1.806	50	20	DDGD	
CO[C@](C)(C(=O)NNc1nc(-c2cccnc2)no1)C1CC1	291801219	YTKJHCLSROPMCH-AWEZNQCLSA-N	303.322	1.390	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(C#N)ccc1Cl	803834664	NGKPJVRBURNFFX-MRVPVSSYSA-N	323.736	1.314	50	20	DDGD	
O=C(NNC(=O)c1snnc1C1CC1)NC1CCCCC1	291387371	BZUNHXJHVWUNCX-UHFFFAOYSA-N	309.395	1.692	50	20	DDGD	
Cc1ccc2oc(C(=O)NNC(=O)[C@@H]3CC[C@H](C)O3)cc2n1	293785550	BUDOIWKSZKCTIK-CABZTGNLSA-N	303.318	1.465	50	20	DDGD	
CCOc1ccc(/C=C/C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	294191838	KIYISKZTZBRZAX-WYJARBCXSA-N	318.373	1.813	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)cc1	802062090	CZGWOSNPNLZSCE-WDEREUQCSA-N	319.361	1.853	50	20	DDGD	
Cc1ccc2[nH]c(C(=O)NNC(=O)N=c3cc[nH]cc3)cc2c1	802026553	GPBNLXRMSYYQAJ-UHFFFAOYSA-N	309.329	1.760	50	20	DDGD	
COc1c(C)cc(S(=O)(=O)NNC(=O)CC(C)C)cc1C	298449531	XNOWRVIHNQJZTG-UHFFFAOYSA-N	314.407	1.668	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)CCCC#N	292001223	WZKNGKOQNRNJBN-JTQLQIEISA-N	309.753	1.949	50	20	DDGD	
COCc1ccccc1NC(=O)C(=O)NNc1cccc(F)n1	807391959	CQKBEHFQFRXALB-UHFFFAOYSA-N	318.308	1.449	50	20	DDGD	
CCn1c(C)cc(C(=O)NNC(=O)N=c2cc[nH]cc2)c1C	802028180	MUVIKXWCAJSRTG-UHFFFAOYSA-N	301.350	1.408	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCC1CC1)c1ccccc1[N+](=O)[O-]	814626503	NNESBAMSHRDOFY-UHFFFAOYSA-N	320.349	1.613	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C(C)c1ccc(N)nc1	814712478	ZRNZZUBGVYCBRH-UHFFFAOYSA-N	313.361	1.625	50	20	DDGD	
CC(Cc1ccc(F)cc1)=NNC(=O)CNC(=O)c1ccco1	814826793	HONRAIYRFPPJCW-UHFFFAOYSA-N	317.320	1.883	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NN=CC2(C)COC2)cc1	814747134	JTYABEIVGHNTAC-GFCCVEGCSA-N	306.362	1.991	50	20	DDGD	
CC(Cn1cccn1)=NNC(=O)COc1ccccc1[N+](=O)[O-]	814744339	VFXAUAKGTKFRQK-UHFFFAOYSA-N	317.305	1.362	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1ccc(Cl)cc1-n1cncn1	814909320	KJYOFMVXFZXMEF-UHFFFAOYSA-N	307.741	1.142	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C(C)c1ccc(N)nc1	814719545	TXVOQTONSUOBKR-UHFFFAOYSA-N	314.345	1.592	50	20	DDGD	
O=C(NNC(=O)N1CC[C@@H](C2CCCC2)C1)c1ncccn1	817170607	HQUCZQUGVSZACG-GFCCVEGCSA-N	303.366	1.343	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H](C)[C@H]1OCCc2sccc21	814632167	BBCYJDGNCVSCSQ-BXKDBHETSA-N	311.407	1.738	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(N(C)C)nc2ccccc12	818027458	RGGUHLSVARFOPV-UHFFFAOYSA-N	317.418	1.382	50	20	DDGD	
CO[C@@](C)(C=NNC(=O)Cn1cnc2ccccc21)C1CC1	814729418	PGHCRHNJXGHJOJ-INIZCTEOSA-N	300.362	1.953	50	20	DDGD	
O=C(CCc1ccccc1O)NN=Cc1c[nH]c(C(=O)O)c1	814840501	QKIIJEYZXRDMQQ-UHFFFAOYSA-N	301.302	1.501	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@@H]1CCc2nncn2C1	816528233	SPNZFYJOJFRXFR-MRVPVSSYSA-N	320.284	1.031	50	20	DDGD	
CCn1c(C)cc(C=NNC(=O)[C@H](C)CN2CCOCC2)c1C	728226266	KXIHIOHPZXALKY-CYBMUJFWSA-N	320.437	1.543	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)COc2ccc(F)cc2)c(C)o1	814223053	KVYXAJHIWWRMRL-UHFFFAOYSA-N	307.281	1.271	50	20	DDGD	
CN1CC[C@H](C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)C1	729281845	QEGFKKLGFIEGDK-URZJAHPPSA-N	319.449	1.692	50	20	DDGD	
O=C(NN=CC[C@H]1CCCCC12OCCO2)c1ccnnc1	817340452	PLNVKSCRTILXNW-CYBMUJFWSA-N	304.350	1.516	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)N[C@H]1CCC(=O)N(C)C1=O	824788887	RKEWLWIJEUZBFN-JTQLQIEISA-N	324.768	1.422	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)COc2ccc(C)cc2)nc1	728855867	PJIWIJLQYCVQOH-UHFFFAOYSA-N	309.325	1.211	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21	827605495	GSUFKXXOIDHVPT-KWCYVHTRSA-N	305.353	1.887	50	20	DDGD	
O=C(CNC(=O)OCc1ccccc1)NNc1ncccc1F	495895550	IFLIKIKCPFCYOK-UHFFFAOYSA-N	318.308	1.590	50	20	DDGD	
C[C@H](NNC(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12)C(F)(F)F	826943579	YGTAKHJPUGHANX-HBSDOPKDSA-N	313.279	1.468	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)/C=C/[C@H]1CCOC1	493814383	DOOLBZCORACEDS-FWYAXHSGSA-N	324.764	1.702	50	20	DDGD	
O=C(CC[C@H]1CCCCO1)NNc1ccc(-c2nn[nH]n2)cc1	826405913	ZHDJJFVAJUHYIY-CYBMUJFWSA-N	316.365	1.659	50	20	DDGD	
C[C@@H](OCCCNCc1ccc(B(O)O)o1)c1ccccc1	585015022	MGTZJPJOZFBVCL-CYBMUJFWSA-N	303.167	1.217	50	20	DDGD	
COc1cccc(CN(C)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	827316082	YYPIZQWYDRXCBF-RISCZKNCSA-N	321.377	1.293	50	20	DDGD	
CCCCC[C@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)OC	491163354	WHRHGOHWCGBINN-CZAWJFPGSA-N	318.377	1.565	50	20	DDGD	
CN(C)[C@@H](CNCc1ccc(B(O)O)o1)c1ccc(Cl)cc1	585026365	MPMYTNISBLLGNH-AWEZNQCLSA-N	322.601	1.005	50	20	DDGD	
CCOC(=O)NNC(=O)CCN(C)C(=O)OCc1ccccc1	492173766	QLDLDIVDHPJJMC-UHFFFAOYSA-N	323.349	1.422	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCc2c(nnn2-c2ccccc2)C1	491086787	VEWBKWMOFYYXPX-SEYXRHQNSA-N	323.356	1.596	50	20	DDGD	
CC[C@@H](Oc1ccccc1Cl)C(=O)NN(C)[C@@H](C)CO	823946071	DRQLGFNNAZCXRM-CMPLNLGQSA-N	300.786	1.841	50	20	DDGD	
CNC(=O)NNC(=O)[C@H](C(C)C)[C@H](C)NC(=O)OC(C)(C)C	497097037	HMNHJGATENTGHO-VHSXEESVSA-N	316.402	1.132	50	20	DDGD	
Cc1cccc(F)c1CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C	826097990	QDDOXPJCSDNNAA-QWRGUYRKSA-N	309.341	1.390	50	20	DDGD	
O=C(NN=C1C[C@@]2(CCOC2)Oc2ccccc21)c1ncccn1	901253101	XZXDWWLBZGAULE-QGZVFWFLSA-N	324.340	1.552	50	20	DDGD	
CCc1nncn1CCNC(=O)[C@@]1(C)C[C@H]1Br	906768485	VXKRKGZAYVCZHA-KCJUWKMLSA-N	301.188	1.130	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NNC(=O)Cc1ccccc1F	826937664	RRDAMFPLYNYIIE-VXGBXAGGSA-N	316.336	1.053	50	20	DDGD	
O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1cc(B(O)O)ccc1F	584951144	IMDXYHQSMAWYEY-NTZNESFSSA-N	305.158	1.204	50	20	DDGD	
CCOC(=O)[C@@H]1CCCN(CC(=O)NNc2ccccc2)C1	901163913	YCJZESYYCQAEQH-CYBMUJFWSA-N	305.378	1.405	50	20	DDGD	
C=COc1ccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	839158530	LGVUBQPXPKVIHL-ZDUSSCGKSA-N	305.334	1.931	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)COc1ccccc1O)c1cccs1	737843391	AOFDXACHXOJFPB-SNVBAGLBSA-N	320.370	1.784	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cccc1[N+](=O)[O-]	831068241	ODDBJRNZLKTWGA-ZJUUUORDSA-N	322.321	1.481	50	20	DDGD	
O=C(NNc1ccncn1)NC1CC(OCc2ccccc2)C1	836398114	GWYXOOPMSPQEPA-UHFFFAOYSA-N	313.361	1.851	50	20	DDGD	
C#CCOc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	831448431	XEEFOQNARZIUKK-FZMZJTMJSA-N	317.345	1.276	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1	830278384	JQRJOWHRPJLSGT-FQKPHLNHSA-N	305.422	1.322	50	20	DDGD	
OB(O)c1ccc(CNCCc2ccccc2C(F)(F)F)o1	585018436	LHTDEBKLUKYIAZ-UHFFFAOYSA-N	313.084	1.311	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2cc(F)c(F)cc2F)c1[N+](=O)[O-]	734551641	KXHDGRBMZPTBIK-UHFFFAOYSA-N	315.211	1.801	50	20	DDGD	
Cc1ccc([C@H](O)CNC(=O)[C@@]2(C)C[C@H]2Br)o1	907015840	GXUIUMSCZDYITB-UISBYWKRSA-N	302.168	1.911	50	20	DDGD	
CCO[C@H](CC)C(=O)NNC(=O)CNc1ccc(C)cc1C	839483271	XZZUFRNINQQHCL-CQSZACIVSA-N	307.394	1.678	50	20	DDGD	
C[C@@H](CSc1ccccc1)C(=O)NNC(=O)N1CCOCC1	732063888	MHILINKLRNMHOV-LBPRGKRZSA-N	323.418	1.488	50	20	DDGD	
CCC[C@H](NC(=O)NNC(=O)[C@H]1CCCCO1)c1ccccn1	836278075	DJXDGCNKPNEAFP-UONOGXRCSA-N	320.393	1.822	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc2n[nH]cc12	831593998	QCQHNVOOFIWQRL-MWLCHTKSSA-N	317.349	1.449	50	20	DDGD	
OB(O)c1ccc(CNCC2(c3cccc(Cl)c3)CC2)o1	585029708	RQPMOOZKEHSNEC-UHFFFAOYSA-N	305.570	1.434	50	20	DDGD	
Cc1cn(-c2ccc(F)cc2)nc1C(=O)N1CC[C@H](B(O)O)C1	585065018	UIMJXZZTBCWZIJ-NSHDSACASA-N	317.129	1.009	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CC2CCOCC2)c(F)c1	837209118	GPORHDAGALGIJS-UHFFFAOYSA-N	310.325	1.872	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCCO1)c1ccc([S@@](C)=O)cc1	834989261	QDZOPUHUJIYXLB-LHSJRXKWSA-N	308.403	1.833	50	20	DDGD	
O=C(NC1CCN(S(=O)(=O)CCl)CC1)c1ccsc1	830181625	TWDHIFXZDVBVAA-UHFFFAOYSA-N	322.839	1.468	50	20	DDGD	
CC(C)(C)OC(=O)[C@]1(C(=O)NN=c2cc[nH]cc2)CC1(C)C	831862839	MBVBEZVMUXLGBT-MRXNPFEDSA-N	305.378	1.705	50	20	DDGD	
COc1ccsc1C(=O)NNC(=O)c1cccc(OC)c1O	730030653	QLEPETUWBGITCZ-UHFFFAOYSA-N	322.342	1.546	50	20	DDGD	
CO[C@@H]1COCC[C@@H]1CNC(=O)[C@H](Br)C(C)(C)C	836814905	MSUHDVNCFJOBCY-MXWKQRLJSA-N	322.243	1.964	50	20	DDGD	
Cc1nc(C)c2c(C)c(C=NNC(=O)NCC(=O)O)sc2n1	833754740	GDFAYXCGWFSKOA-UHFFFAOYSA-N	321.362	1.334	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)cc1F	837057552	GNMSTGAEHMDVMW-VYUIOLGVSA-N	310.325	1.869	50	20	DDGD	
O=C(COC(=O)C[C@@H]1CC[C@H]2C[C@H]12)NNC(=O)c1cccs1	838126878	SMXLDLBZVKPBIP-DCAQKATOSA-N	322.386	1.489	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@@H](C)c2cnn(C)c2)c1	839721788	POBCPBHYGKYYFJ-LLVKDONJSA-N	316.361	1.844	50	20	DDGD	
O=C(NN=C1CCCc2cc(F)ccc21)C(=O)N1CCCC1	747630131	IVVJUFSXSCBNBT-UHFFFAOYSA-N	303.337	1.605	50	20	DDGD	
COc1ccc(Cl)cc1NCC(=O)NN(C)C[C@H](C)O	910168358	MLNRITRUCQUWKW-VIFPVBQESA-N	301.774	1.104	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	831048006	ZMFDWDIANVWQFB-MWLCHTKSSA-N	322.321	1.481	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)[C@@H](C)CN2CCCCC2)[nH]1	747629574	GGIKNDHLMYNLSP-LBPRGKRZSA-N	320.393	1.373	50	20	DDGD	
COc1ccnc(NNC(=O)COc2cc(C)ccc2Cl)n1	914763206	YWGZSMNORZQJRA-UHFFFAOYSA-N	322.752	1.969	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(Cl)c(F)c1	748256457	BIBRJOJBZVHHJF-SECBINFHSA-N	302.733	1.981	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=C1CCc2c1cccc2[N+](=O)[O-]	848413110	KGAPGGRYIYCCHI-ZJUUUORDSA-N	303.318	1.786	50	20	DDGD	
CO[C@@H]1CCCC[C@H]1NCC(=O)NNC(=O)c1cccs1	844406168	OMJVPXGUMLBPGO-GHMZBOCLSA-N	311.407	1.056	50	20	DDGD	
CCSc1cccc(F)c1NC(=O)NNC(=O)CCCN	841246321	CQBYHJXMCUERQD-UHFFFAOYSA-N	314.386	1.829	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@H]1CCC[C@H](N)C1)c1ccccc1	841981294	YFGPENXZBYOGGJ-KKUMJFAQSA-N	318.421	1.781	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccn1C	841642843	BROXJNDCWQNNMB-CYBMUJFWSA-N	318.377	1.392	50	20	DDGD	
O=C(CCCn1ccnc1)NNC(=O)c1cc2ccccc2o1	749478784	MIOOOTHSATZGGI-UHFFFAOYSA-N	312.329	1.871	50	20	DDGD	
O=C(NNc1cccnn1)[C@H]1CCO[C@@H](c2ccccc2)O1	847717058	YGVIXDKVPNBJQR-IUODEOHRSA-N	300.318	1.424	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNC(=O)C2CCCC2)ccc1Cl	847503266	KXVQXNCJEIGTEQ-UHFFFAOYSA-N	323.780	1.925	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NC[C@@H]2CCC=CO2)cc1	845136189	SOESQDOMYIBIIQ-AWEZNQCLSA-N	319.361	1.721	50	20	DDGD	
Cc1oc2ccccc2c1CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843656299	MNCBLRMPOODZDU-CMPLNLGQSA-N	316.357	1.856	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1c[nH]c2ccc(F)cc12	748260329	RINBYLSMHHGWPF-JTQLQIEISA-N	307.325	1.809	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cn1	745876000	LKAGQWXYGVGFNU-DMDPSCGWSA-N	305.382	1.333	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1C[C@H](O)C[C@@]1(C)CO	912660648	OKNFLZYQXPJXCY-LNLATYFQSA-N	308.216	1.140	50	20	DDGD	
O=C(NC[C@@H]1CCCO1)NNc1ncc(Br)cn1	846761281	CPYRTOYOOPYQBR-QMMMGPOBSA-N	316.159	1.044	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@H](C)CC(=O)c1ccc(Cl)cc1	910160829	OOUKZEQJJVRRHI-GHMZBOCLSA-N	312.797	1.893	50	20	DDGD	
COCCCOc1ccc(C(=O)NNC(=O)NCC2CC2)cc1	749922395	AVZJGFRQGRVIMB-UHFFFAOYSA-N	321.377	1.456	50	20	DDGD	
COCCNC(=O)NNc1cc(OC)ccc1Br	840238126	IOKKRSLHNHMXOU-UHFFFAOYSA-N	318.171	1.730	50	20	DDGD	
Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NNC(=O)C(C)C)cc1	742478101	XUOMUAGERNXJKU-CQSZACIVSA-N	317.389	1.289	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@H]1CCCCO1)c1cccs1	840775594	RAQDJEGUTQLGDZ-NXEZZACHSA-N	313.448	1.874	50	20	DDGD	
CN(C)N(C(=O)[C@H]1CC12CCCC2)[C@@H]1CCS(=O)(=O)C1	747297659	KSNNDHFMLFIAHL-VXGBXAGGSA-N	300.424	1.059	50	20	DDGD	
CC(CCc1ccccc1[N+](=O)[O-])=NNC(=O)C(=O)NC1CC1	741462592	QYMQJIQRDMSFGC-UHFFFAOYSA-N	318.333	1.298	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cc1cccc(Cl)c1F	843654363	HMXIVFOLSROQKG-PSASIEDQSA-N	314.744	1.594	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1c(C)cc(F)cc1C	849984068	SCGCNGCCTATRQT-SNVBAGLBSA-N	310.325	1.545	50	20	DDGD	
CC[C@@H](CN1CCOCC1)NC(=O)NNc1cccc(C#N)c1	925577129	ORTZUOSDKWBBOC-AWEZNQCLSA-N	317.393	1.295	50	20	DDGD	
CC(=O)N1CCC(=NNC(=O)c2cc(C)[nH]n2)c2ccccc21	857208999	PZHGQVBIEHZGOE-UHFFFAOYSA-N	311.345	1.609	50	20	DDGD	
CCc1nc(C=NNC(=O)N2CCOCC2)c2ccccn12	755673826	USGYZWHEPSXEDU-UHFFFAOYSA-N	301.350	1.272	50	20	DDGD	
CCn1c(C)cc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c1C	853387743	LUWRNZXATFLTNQ-CVEARBPZSA-N	318.421	1.438	50	20	DDGD	
COCC1(C(=O)NNc2ncc(F)cc2F)CCOCC1	857533564	DOUQDIFLCOPPPA-UHFFFAOYSA-N	301.293	1.246	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cnc(C)n2-c2ccccc2)n[nH]1	755626946	GRKWFVUMYGLKGD-UHFFFAOYSA-N	322.372	1.905	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@@H](CO)c1ccc(F)cc1F	852085582	DTSVYKCZETXVRS-NSHDSACASA-N	315.320	1.375	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccccc2)c2c(C)n[nH]c2n1	750601423	VNPOEYONZOSDSS-UHFFFAOYSA-N	309.329	1.650	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)NC1CCN(CC2CC2)CC1	856843998	SLLWBLOSLXGSPM-UHFFFAOYSA-N	324.816	1.631	50	20	DDGD	
N#CSCCCNC(=O)c1c[nH]c(C(=O)N2CCCC2)c1	854363386	YDXURMVRAXZJMR-UHFFFAOYSA-N	306.391	1.585	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CC12CCC2	759692524	OLMNBKCSBHQGCF-GXFFZTMASA-N	306.337	1.931	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)c2c[nH]c3ccccc23)[C@@H]1C	858158357	HOSCJOVUZKDWDC-JNIYBQFBSA-N	315.373	1.988	50	20	DDGD	
C[C@]1(CNS(=O)(=O)C[C@@H]2CCOC2)C[C@H]1Br	856754082	BZQPDTHUTYOXRV-OPRDCNLKSA-N	312.229	1.116	50	20	DDGD	
C[C@H](C(=O)NNc1cnnn1C)[C@H]1OCCc2sccc21	857270490	DXDITRLEERVSQU-QPUJVOFHSA-N	307.379	1.270	50	20	DDGD	
C[C@H](N)[C@@H]1CCN(C(=O)NC[C@@]2(C)C[C@H]2Br)C1	857105553	NHQOWIMJUFWJCK-BTQIBKBOSA-N	304.232	1.539	50	20	DDGD	
COc1cccc(COCC(=O)NN=c2cc[nH]cc2Cl)c1	757406669	SVKYMMSMEGJJRI-UHFFFAOYSA-N	321.764	1.825	50	20	DDGD	
CCCCNC(=O)NN=C(C)c1cccc(OCC(=O)O)c1	757460267	BABGIURCJNFJIX-UHFFFAOYSA-N	307.350	1.973	50	20	DDGD	
O=C(NNC(=O)c1cc2cccc(Cl)c2o1)C(=O)NC1CC1	753278903	CWANWOXAPRYCLL-UHFFFAOYSA-N	321.720	1.126	50	20	DDGD	
O=C(NCC(F)(F)F)NN=C1C(=O)Nc2c(F)cccc21	753955898	RIYUZDUBDOUMPH-UHFFFAOYSA-N	304.203	1.343	50	20	DDGD	
CSC(C)(C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	854179590	DJULVLIZVMXGBG-NSHDSACASA-N	310.375	1.115	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CC[C@]2(CCOC2)C1	756915103	ZKRDVUBVEFWIBC-INIZCTEOSA-N	303.362	1.462	50	20	DDGD	
CC[S@](=O)CCNC(=O)NNc1ccc(F)cc1Cl	920084850	QYGBXPPPXRMKJW-IBGZPJMESA-N	307.778	1.874	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]21	857113896	GEBZBQRHRBVOCI-TUAOUCFPSA-N	309.410	1.265	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)[C@@H]1COCCN1C1CCCC1	856091524	OSMMDHAFVJZGNA-ZDUSSCGKSA-N	324.812	1.822	50	20	DDGD	
CC(C)Oc1ccc(N(C)CC(=O)NNC(=O)C2CC2)cc1	759928734	QKFODOAOUSNTBB-UHFFFAOYSA-N	305.378	1.467	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccc[nH]2)cc1[N+](=O)[O-]	757992980	GTWQGQVAYUMKLQ-UHFFFAOYSA-N	319.277	1.398	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@]2(C)CCOC2)cc1OC	754350424	GCJAURCQJZBVDJ-MRXNPFEDSA-N	322.361	1.282	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc2c([nH]1)CCCC2	854286010	LPFGQVOTWRLNDC-UHFFFAOYSA-N	324.450	1.381	50	20	DDGD	
CCc1ncsc1NC(=O)NNC(=O)Cc1cccnc1	757756438	QNHYKESHRWNYCB-UHFFFAOYSA-N	305.363	1.496	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(C(=O)OC)s1	931962076	WWPJSALZNIWJQN-UHFFFAOYSA-N	309.347	1.491	50	20	DDGD	
CN1C(=O)CS/C1=C/C(=O)NC[C@]1(C)C[C@H]1Br	864072526	JTYAHKWWIMQKJC-YJKABQNESA-N	319.224	1.323	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NN=C1CCS(=O)CC1	761805457	QVYHOMJSDKIMHV-KXPFFURISA-N	312.366	1.608	50	20	DDGD	
C[C@@H](NNC(=O)c1sccc1-n1ccnn1)C(F)(F)F	862321882	CDLFFWSEVSZSLE-ZCFIWIBFSA-N	305.285	1.514	50	20	DDGD	
COc1cccc(F)c1C(=O)NNc1ncnc2[nH]cnc12	761569720	RDZPSJUDJXVKDI-UHFFFAOYSA-N	302.269	1.258	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC1(C(F)(F)F)CCOCC1	932293828	ZIMZTVSHYCPGDY-UHFFFAOYSA-N	311.304	1.474	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2ccnn2CC(F)F)c1	862479100	CGYXIDZKBKFIAO-UHFFFAOYSA-N	314.317	1.593	50	20	DDGD	
O=C(NCc1cccnn1)NNC(=O)c1cccc(Cl)c1	767881136	LZBYIYOIMJEZHV-UHFFFAOYSA-N	305.725	1.274	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CCN2C(C)(C)C)cc1	860225468	KHMUCQHPMAIDPB-ZDUSSCGKSA-N	320.393	1.721	50	20	DDGD	
COCC(=O)NN=Cc1sc(N2CCCC2)nc1Cl	761821110	BUNJXRDYIZQZNO-UHFFFAOYSA-N	302.787	1.493	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(OC)ccc2O)nc1	760792094	ZIOGDNVPHOMUAU-UHFFFAOYSA-N	317.301	1.339	50	20	DDGD	
Cc1cc(C=NNC(=O)C(=O)Nc2ccccn2)cnc1Cl	760259929	JDYRKEOZJXOPTP-UHFFFAOYSA-N	317.736	1.527	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)[C@@]1(C2CCCC2)CCNC1=O	863863655	JOKKCDSLKQPZQK-QGZVFWFLSA-N	321.421	1.411	50	20	DDGD	
O=C(NCCc1ccncc1)NNc1cccc([N+](=O)[O-])c1	762675975	ZXIHZMMXCOSKQF-UHFFFAOYSA-N	301.306	1.859	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1cc2cc(C)c(C)cc2o1	869909678	FXAYLQBETOUDPP-UHFFFAOYSA-N	320.345	1.474	50	20	DDGD	
COC/C=C\C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	864475019	VPNLMCYDCMROMA-IHWYPQMZSA-N	306.406	1.943	50	20	DDGD	
O=C(NC[C@@H]1COCCN1)NNc1cc(Cl)ccc1Cl	861683761	ZYMFLCMKOIHULA-SECBINFHSA-N	319.192	1.608	50	20	DDGD	
COC(=O)[C@@]1(C)CN(S(=O)(=O)CCCCCl)C[C@@H]1C	867587770	PRMRFJQOFAZNSK-JQWIXIFHSA-N	311.831	1.466	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=S)Nc2ccccn2)CCC1=O	1119115209	GDNNVFXYSTZZKE-NXEZZACHSA-N	306.391	1.405	50	20	DDGD	
CCN(CC(=O)N(C)C)C(=O)[C@@H](Br)C(C)(C)C	767966685	UWRFOZBXPOCORV-SNVBAGLBSA-N	307.232	1.733	50	20	DDGD	
CCOCCNC(=S)NNC(=O)c1nc2ccccc2s1	871690632	AAVUSGGBWBBOIR-UHFFFAOYSA-N	324.431	1.442	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)Nc1ccc2scnc2c1	878532121	PINFXASPGIHJLN-UHFFFAOYSA-N	320.374	1.876	50	20	DDGD	
CC(C)N1CC(=NNC(=O)c2ccc(C(=O)O)cc2)[C@H](C)C1	872410750	PDQWJBZZKYVZTE-LLVKDONJSA-N	303.362	1.831	50	20	DDGD	
CCOC(=O)N1CCC(C(=O)NNc2ccc(F)cn2)CC1	874650978	IQSJDGFVJGOIDF-UHFFFAOYSA-N	310.329	1.532	50	20	DDGD	
CCN(CC)CCSCC(=O)NNc1ccc(F)cn1	874650490	ZDKIQCGNRSBJAH-UHFFFAOYSA-N	300.403	1.739	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C1CCc2cccc(C(=O)O)c21	872384325	PAQDIQCYBNMCSZ-ONGXEEELSA-N	302.330	1.576	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CCc2cc(OC)ccc21	872354566	WSTMGYDQNNHRID-UHFFFAOYSA-N	317.389	1.767	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)[C@H]1CC1(Cl)Cl	874957020	XNOVYGUXRVXOTK-ZCFIWIBFSA-N	305.190	1.593	50	20	DDGD	
C[C@@H](C[S@@](C)=O)NC(=O)NNc1cccc(F)c1Cl	875485950	SWSRQTMAOKOXIT-ZDVLTJLQSA-N	307.778	1.872	50	20	DDGD	
C[C@@H](O)c1cn(CC(=O)NNc2ccc3ccccc3n2)nn1	777467915	JTOZQWOLGDUNSH-SNVBAGLBSA-N	312.333	1.023	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2)cc1	1116939930	RMRDYTFHJARRSN-UHFFFAOYSA-N	311.341	1.324	50	20	DDGD	
Cc1c(C(=O)NNc2ncc(Cl)cc2Cl)nnn1C	775273176	SLOWLPNUKAIXHV-UHFFFAOYSA-N	301.137	1.582	50	20	DDGD	
Cn1nc(Br)cc1NC(=O)NNC(=O)CC1CC1	879643323	HNJPRCBBEPVUFZ-UHFFFAOYSA-N	316.159	1.135	50	20	DDGD	
CSSCCNC(=O)c1ccc(CN2CCOCC2)o1	879903527	OMFCXEDOLTZNKY-UHFFFAOYSA-N	316.448	1.853	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H](NC(C)=O)C(C)C	777772437	XPHHPNDCUOHAAF-CYBMUJFWSA-N	307.350	1.077	50	20	DDGD	
COc1ccc(NC(C)=O)cc1NC(=O)NNC(=O)C(C)C	770333332	HRIQDDLBIKHJJL-UHFFFAOYSA-N	308.338	1.462	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)OCCOCC(F)F)cc(C#N)n1C	774792765	TVRXYUBTXWJNCC-LFYBBSHMSA-N	323.299	1.937	50	20	DDGD	
CC[C@H](NC(=O)NN(C)C(=O)OC)c1ccc2c(c1)OCCO2	875131958	LAEIEHKXHYJITH-NSHDSACASA-N	323.349	1.821	50	20	DDGD	
CC(C)(C)n1ncc2c(O)nc(NNC(=O)C3=COCC3)nc21	770966911	CGJMNLDUCXZQOY-UHFFFAOYSA-N	318.337	1.034	50	20	DDGD	
NC(=O)CCCC(=O)NNc1nc(-c2ccc(Cl)cc2)no1	776350660	UCYKRSKXSBGMKA-UHFFFAOYSA-N	323.740	1.489	50	20	DDGD	
C#CCCCC(=O)NNC(=O)COc1cccc(Cl)c1C	887144121	BUCKRECLXFFUDK-UHFFFAOYSA-N	308.765	1.978	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21	883139983	GDMQILPFNXLZOO-GHMOJZLGSA-N	315.377	1.245	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1cnn(-c2cccnc2)c1	771578357	IXIAATCRZQVSPP-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
Cc1[nH]c2ccccc2c1CC(=O)NNC(=O)C1CCOCC1	883061075	HPBKLDBMSDAGLA-UHFFFAOYSA-N	315.373	1.593	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CN2C[C@H]3C[C@@H]3C2)cc1C	886344387	DFAHHFBVPGLLHV-GHMZBOCLSA-N	307.419	1.332	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1nc(C)n(-c2ccccc2)n1	887143447	ZILIDIQVOMPEIO-UHFFFAOYSA-N	311.345	1.140	50	20	DDGD	
O=S(=O)(CCCCl)N[C@H]1CCO[C@@H](c2ccncc2)C1	882238828	XEXJLPAKXFGWRK-QWHCGFSZSA-N	318.826	1.850	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)C(C)C)cnn1-c1ccccc1	782589824	DCIVUPROQXZODM-UHFFFAOYSA-N	301.350	1.989	50	20	DDGD	
O=S(=O)(CBr)NC[C@H]1OCCc2ccccc21	782445210	RZHJOJROPISNOM-LLVKDONJSA-N	320.208	1.572	50	20	DDGD	
CCCC(=O)N1CCC[C@@H]1C(=O)NNc1ncncc1Cl	781812534	GFLUIEXBGPLVKJ-SNVBAGLBSA-N	311.773	1.364	50	20	DDGD	
COc1ccccc1NC(=O)C(=O)NNc1nccnc1Cl	784780844	PYQKJWOTLCPSCM-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
Cc1ccc(C(N)=O)c(OS(=O)(=O)CBr)c1	782407036	CBLZHBAOBOHCDQ-UHFFFAOYSA-N	308.153	1.155	50	20	DDGD	
CNC(=O)[C@@H]1CCCCN1C(=O)[C@@H](Br)C(C)(C)C	781098492	UARJKZXDAWMPJT-VHSXEESVSA-N	319.243	1.923	50	20	DDGD	
CCC1(CC)[C@H](NS(=O)(=O)CBr)C[C@H]1OC	782473130	UOFACAOTLIYVQL-RKDXNWHRSA-N	314.245	1.852	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2c(Cl)cnn2C)c1	780194828	MLNRQYQYCZACGD-UHFFFAOYSA-N	306.753	1.911	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCC(O)(C(F)F)CC1	780856020	PXULZMJZECXMFF-UHFFFAOYSA-N	305.774	1.427	50	20	DDGD	
C/C(=C(/F)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C1CC1	899936781	HCPAXZREOIMSDX-GFAPJHNFSA-N	320.320	1.627	50	20	DDGD	
C#CCCCCCC(=O)NNc1nc(O)c2cnn(C)c2n1	780511228	RVYNFZSGJUGLHT-UHFFFAOYSA-N	302.338	1.096	50	20	DDGD	
CO[C@@H](C)CN(C)CC(=O)NNC(=O)c1ccccc1Cl	796642235	OOHLCNKXRYWRJV-JTQLQIEISA-N	313.785	1.068	50	20	DDGD	
N#CC[C@@H](CC(=O)NNC(=O)Cc1cc[nH]n1)c1ccccc1	793448313	UFBQGLYFVVLMSE-ZDUSSCGKSA-N	311.345	1.187	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H](O)Cc1ccccc1	798311821	IVUWMCJPNXUQCK-HNNXBMFYSA-N	313.357	1.751	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCC(F)(F)C2)cc1	797608882	OMCMRMHQIWRLJM-NSHDSACASA-N	323.299	1.520	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2ccccc2OC)cn1C	790161589	JFUXMKSTARXUQK-UHFFFAOYSA-N	315.329	1.584	50	20	DDGD	
Cc1nc2c(s1)C(=NNC(=O)N1CCN(C)CC1)CCC2	790175684	IQBWOOYTNQBWMP-UHFFFAOYSA-N	307.423	1.449	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1Cc2ccc(F)cc21	793473769	HSRPOACBWNFXTE-CQSZACIVSA-N	314.316	1.935	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)c2ccc(Cl)cc2)cnn1C	794200154	XRCYMZJGESUGAV-UHFFFAOYSA-N	306.753	1.386	50	20	DDGD	
COc1cccc(C=NNC(=O)COc2ccccc2OC)n1	790143661	RQVDBYSNNVHPDV-UHFFFAOYSA-N	315.329	1.628	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)c1cccc(C)n1)C(C)(C)C	792972888	XVYIMQHQHBPXLN-LBPRGKRZSA-N	308.382	1.395	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)Cc1cn2ccccc2n1	796885797	KZHSTOYRIVVKTI-UHFFFAOYSA-N	311.345	1.229	50	20	DDGD	
CO[C@@H]1CCC[C@H](CC(=O)NNC(=S)N[C@@H](C)C2CC2)C1	798127341	HNUQDXDWDRUNAW-GMXVVIOVSA-N	313.467	1.876	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cc(Cl)nc(C)n2)o1	1319293629	WRBOQRHPQRBSMG-UHFFFAOYSA-N	310.697	1.575	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc2c(c1)CCC2	1318901092	WYHTUBRRINOXFL-UHFFFAOYSA-N	301.390	1.930	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)c1n[nH]c2c1CCCC2	1323346440	YYVDOJOTUJRFET-UHFFFAOYSA-N	300.366	1.348	50	20	DDGD	
CC(C)N1CCC(C(=O)NNc2nncc(N)c2Cl)CC1	1327952980	HLMCIVDNAWIRSY-UHFFFAOYSA-N	312.805	1.276	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CCO)cc1OCCC(C)C	1320566848	LTKXIPKPGQKYGT-UHFFFAOYSA-N	323.393	1.955	50	20	DDGD	
Cc1cc(CN2CCCN(S(=O)(=O)CCl)CC2)no1	1324498914	WCRKBRBGIVABQB-UHFFFAOYSA-N	307.803	1.017	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)C(F)(F)c1ccc(Cl)cc1	1320824341	HLOQGACURBRJCG-UHFFFAOYSA-N	306.696	1.350	50	20	DDGD	
Cc1cc(C)n([C@H](C)CC(=O)NNc2nncc(N)c2Cl)n1	1253124057	PCFMRNWAYUVVJO-SECBINFHSA-N	323.788	1.620	50	20	DDGD	
CCc1cc(C(=O)N(C)NC(=O)OCc2ccccc2)nn1C	1331670444	IMCUDECSIXXIOX-UHFFFAOYSA-N	316.361	1.896	50	20	DDGD	
CN1CCN(C2CN(C(=O)c3cccc(CCl)c3)C2)CC1	1337236517	VJFJZFVCJOVALF-UHFFFAOYSA-N	307.825	1.497	50	20	DDGD	
Cc1cc(COCC(=O)NNC(=O)Cc2ccccc2F)no1	1335771602	CJPGNFXALMKECS-UHFFFAOYSA-N	321.308	1.029	50	20	DDGD	
CC1=NO[C@](C)(C(=O)NNC(=O)COc2ccc(C)cc2)C1	1353315407	LCAOOSNGFNPGKS-HNNXBMFYSA-N	305.334	1.076	50	20	DDGD	
Cc1cnc(C(=O)NNc2ccc(C(=O)O)cc2F)c(O)c1	1607904941	FOJCGTVYQMAIDW-UHFFFAOYSA-N	305.265	1.690	50	20	DDGD	
O=C(NNc1ncc(Cl)cc1Cl)[C@H]1CC[C@H]1C(=O)O	1601562130	UEOSJTGNKFUCJD-NKWVEPMBSA-N	304.133	1.942	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)c1csc(CO)n1	1601560693	UCYCILONWVWMAY-UHFFFAOYSA-N	311.294	1.230	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1ccc(F)c(C(=O)O)c1	1601555951	SYKOYGUPHGSIMC-UHFFFAOYSA-N	317.276	1.990	50	20	DDGD	
O=C(O)Cc1cccc(C(=O)NNC(=O)c2ccccc2F)c1	1602134901	ISHPPRUFGACVIQ-UHFFFAOYSA-N	316.288	1.528	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)CCN1C	1607479865	JJLFDNVLWYUOQS-UWVGGRQHSA-N	322.317	1.929	50	20	DDGD	
Cc1cc(C(=O)NCC(Cl)Cl)ncc1-c1nn[nH]n1	1605614992	MLVQIOVAFBCOJP-UHFFFAOYSA-N	301.137	1.104	50	20	DDGD	
Cc1ccc(C(=O)O)cc1NC(=O)C(=O)NNc1ccccc1	1600350714	KSQMSNYXILURSC-UHFFFAOYSA-N	313.313	1.775	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1	1610848777	UAWDIEVUEWOKPC-UHFFFAOYSA-N	317.257	1.756	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1cccs1	1549317600	WWGINMLFLIWXMJ-WCQYABFASA-N	307.419	1.842	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H]2CCCO[C@@H]2c2nccn2C)no1	1549316058	NOEAIBHFINFZHL-OLZOCXBDSA-N	317.349	1.335	50	20	DDGD	
COCCC(C)=NNC(=O)[C@@H]1CCCO[C@@H]1c1nccn1C	1549315155	KXCWSDROIQCFCS-OLZOCXBDSA-N	308.382	1.416	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@@H]1C(=O)NN=CC1CCOCC1	1549314185	BRZGZMVWTYKWSB-ZFWWWQNUSA-N	320.393	1.416	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CCN[C@H](C)C1	1576295745	SZLFDGBDNAQPSB-GRYCIOLGSA-N	323.368	1.129	50	20	DDGD	
CC#CC[C@@H](N)C(=O)NNC(=O)Nc1cc(OC)ccc1Cl	1574972100	KMGFECKQFFDGQS-LLVKDONJSA-N	324.768	1.242	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@@]2(c3ccccc3)C[C@@H]2Br)CCN1	1576763437	SMSFMANYWNNXGG-OSAQELSMSA-N	323.234	1.912	50	20	DDGD	
CC(C)(C)c1ccc(OCCCC(=O)NNC(=O)CN)cc1	1575275970	UDRDFMATPVJLKC-UHFFFAOYSA-N	307.394	1.249	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccn1)[C@]12C[C@H]1CCCN2	1580737826	YZGMDPQLAAZJFZ-SKDRFNHKSA-N	300.284	1.686	50	20	DDGD	
O=C([C@H]1CCC=CO1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843364411	ITMCAGQYNWZRDS-MNOVXSKESA-N	316.760	1.417	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)/C(C)=C/OC)C1	1844181115	ZZYLAPQFNGZTRE-JATZPVMKSA-N	314.813	1.757	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)CN(C)C)C1	1842678122	NNKMLNMGAIPLMT-LBPRGKRZSA-N	315.845	1.159	50	20	DDGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)C1=CCCNCC1	1580737507	RAZAYUKRYIBECH-UHFFFAOYSA-N	324.837	1.967	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCCCC1)c1cc(C(=O)O)co1	1589010538	AWWVEAGYXOQDQH-NSHDSACASA-N	321.377	1.940	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cccc(F)c1O	1593165631	WCNHTPSMEFIGKC-UHFFFAOYSA-N	314.280	1.468	50	20	DDGD	
Cn1nccc1[C@H](NC[C@H](CBr)C1CC1)C(=O)O	1594596160	WLAXHPAXDQKUIZ-ONGXEEELSA-N	316.199	1.557	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=Cc1cc(C#N)ccc1C(=O)O	1776102557	SFTAIJRIRFFQGU-QWHCGFSZSA-N	301.302	1.132	50	20	DDGD	
Cc1nc(C)c(C=NNC(=O)c2cccc(C(=O)O)c2)nc1C	1776096533	GHYQCMIASSUQQJ-UHFFFAOYSA-N	312.329	1.864	50	20	DDGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C(=O)O)nn2C)cc1	1776119867	NXNDEYCPLNBESJ-XFFZJAGNSA-N	310.313	1.972	50	20	DDGD	
CC(=NNC(=O)Cc1ccccc1O)c1cncc(C(=O)O)c1	1776094449	TUJRHNUGNOSCQM-UHFFFAOYSA-N	313.313	1.568	50	20	DDGD	
CC[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(Cl)Cl)C2	1792984926	NNQJLBKJCBCEJJ-UTINFBMNSA-N	323.220	1.199	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1O	6209748	PIQZAKZYYMRNOH-WHGQRRHOSA-N	302.330	1.603	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2csc(NC)n2)cc1	153597965	KKTFDPFNVMHAGQ-UHFFFAOYSA-N	304.375	1.822	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc2c(c1)Cc1ccccc1-2	155571180	CPABGTWIZXRNIW-UHFFFAOYSA-N	324.384	1.972	50	20	DDGD	
CC(C)Cn1cc(NC(=O)C(=O)NNc2ccccc2F)cn1	155638750	HATOMHVUZMIGOY-UHFFFAOYSA-N	319.340	1.760	50	20	DDGD	
O=C(NNC(=O)c1ccc(C(=O)NC2CC2)cc1)c1ccncc1	154872379	YCIIPBNXYCUURA-UHFFFAOYSA-N	324.340	1.049	50	20	DDGD	
CNC(=O)C1CCN(C[C@@H](CBr)C2CC2)CC1	859062052	NQCZQQSCLROGGK-GFCCVEGCSA-N	303.244	1.866	50	20	DDGD	
C[C@@H](C(=O)NNc1ncnc2nc[nH]c12)c1ccccc1F	173950365	LFABAFSZMYTENS-MRVPVSSYSA-N	300.297	1.739	50	20	DDGD	
CNC(=O)c1ccc(CNC(=O)NNC(=O)CC(C)(C)C)cc1	103178218	KAEGRRHPZDVAAO-UHFFFAOYSA-N	320.393	1.313	50	20	DDGD	
Cn1c(C(=O)NNC(=O)[C@@H]2CCCO2)c(Cl)c2ccccc21	58248290	MONMUOGDPIOJKI-NSHDSACASA-N	321.764	1.772	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2cccc(C(F)(F)F)c2)CC1	106283470	DOVVYVNTVCXVRN-UHFFFAOYSA-N	301.268	1.675	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(OC(F)F)c(OC)c1	65191269	SWWOCBJFWRCFGS-UHFFFAOYSA-N	303.265	1.261	50	20	DDGD	
C[C@@H](c1cccc(Cl)c1)N(C)CC(=O)NNC(=O)C1CC1	112977296	QJJFEUREGIPSEQ-JTQLQIEISA-N	309.797	1.890	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)CC1(O)CCCCC1	304414511	BZCOHUSPUCJBPA-UHFFFAOYSA-N	308.353	1.601	50	20	DDGD	
Cn1ccc(NNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)n1	1348608284	NEDRXTOPYZDQHO-CQSZACIVSA-N	310.361	1.404	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NC2(C(N)=O)CC2)c1C	119751454	FSZIVMMFBDAYGR-ZROIWOOFSA-N	314.389	1.556	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](C)c2cccc(O)c2)o1	176513138	BTKBJQAOZXCPPF-SNVBAGLBSA-N	303.318	1.999	50	20	DDGD	
OC[C@@H]1CN(CCI)CCC1(F)F	306544696	YTWVSQCDSMGTIW-ZETCQYMHSA-N	305.106	1.371	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)CC2=CCCCC2)C[C@H](C)O1	111545210	RSBFWBYVPWHOEF-KBPBESRZSA-N	323.437	1.524	50	20	DDGD	
C=CCN(CCc1ccccc1)CC(=O)NNC(=O)C1CC1	112977906	YXORHZYMWLCGKF-UHFFFAOYSA-N	301.390	1.275	50	20	DDGD	
C=CCOc1ccc(C(=O)NNC(=O)NCC2CC2)cc1OC	65192558	KXOLETNTCAZULF-UHFFFAOYSA-N	319.361	1.614	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cc2cc(F)ccc2o1	172113698	IFSNYOAVSFMYRQ-UHFFFAOYSA-N	307.281	1.259	50	20	DDGD	
CN(C)N(C(=O)C[C@H]1C=CCCC1)[C@@H]1CCS(=O)(=O)C1	186248598	DMJYRNMNJQRZAJ-QWHCGFSZSA-N	300.424	1.225	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1c(F)cccc1F	77164134	WIOZLSQUEALFNH-UHFFFAOYSA-N	313.304	1.031	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)NCCCOC)sc1C	79069883	LFLKLYWRKUREHS-UHFFFAOYSA-N	313.423	1.990	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)CN1CSCC1=O	181325585	KMQFJGIMRUCXJT-UHFFFAOYSA-N	316.386	1.519	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)COC(C)(C)C)cc1	182587517	LGEGQXZLPOWOAB-UHFFFAOYSA-N	308.378	1.590	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNc1cc(C)nc(C)n1	128855797	YAQFVTQXCGAGMK-LBPRGKRZSA-N	305.382	1.328	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CO)cc1-c1ccccc1	182744775	VMBZSEKKHZVGDR-UHFFFAOYSA-N	300.314	1.116	50	20	DDGD	
CCOc1ncccc1NC(=O)C(=O)NNc1ccc(C)cc1	131540897	UCQHYPWWVCTELN-UHFFFAOYSA-N	314.345	1.871	50	20	DDGD	
CCN1CCC(NC(=O)NNC(=O)Cc2ccc(F)cc2)CC1	43292952	UETONPPCQXCJRF-UHFFFAOYSA-N	322.384	1.183	50	20	DDGD	
COCCc1noc(CN(C)C[C@@H](C)CBr)n1	133898527	WXCOHMAFKAFJJZ-VIFPVBQESA-N	306.204	1.721	50	20	DDGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CCC[C@H]1CO	48866043	VVMBDQYJHDMKJP-LBPRGKRZSA-N	303.811	1.613	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc2c(c1)CCC(=O)N2	45568435	KZMTVIYRZXUIRE-UHFFFAOYSA-N	323.352	1.955	50	20	DDGD	
COc1nccnc1NNC(=O)c1nc(Cl)ccc1Cl	132000290	QTMXFRGMEGVPRN-UHFFFAOYSA-N	314.132	1.944	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc(-c2cccc(Cl)c2)on1	194924718	BHWKWPRLNSBLRX-UHFFFAOYSA-N	308.725	1.911	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNc2ncnc3ccsc23)c1	132862127	FLMBRIZPMISMRJ-UHFFFAOYSA-N	301.331	1.979	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc(-n3cccn3)ccn2)n1	134548307	KVRXOSFSBZQJBW-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)/C=C/c2cccc(O)c2)cc1	131162421	BOVUFIVUIPEFRP-RMKNXTFCSA-N	307.309	1.738	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])C(F)(F)C1(O)CCC1	133268562	FOYWCJGHRWDITI-UHFFFAOYSA-N	301.249	1.588	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc3cn[nH]c23)c(O)c1	80388170	GZKBWUNYZFNVCU-UHFFFAOYSA-N	310.313	1.652	50	20	DDGD	
O=C(NNC(=O)c1ccn(CC(F)F)n1)NC1CCCCC1	193678153	VGSNTCDODIQCJD-UHFFFAOYSA-N	315.324	1.425	50	20	DDGD	
O=C(/C=C/c1ccc(Cl)cc1)NNC(=O)C(=O)N1CCCC1	132309252	PCKFGPPTGKUVLB-VMPITWQZSA-N	321.764	1.123	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CCOCC(F)F	191537663	RVESZCKNEMGSKY-UHFFFAOYSA-N	302.277	1.128	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)NC(=O)CC(C)(C)C)o1	190164628	YFRVHMVYVRVPFA-SNVBAGLBSA-N	309.366	1.290	50	20	DDGD	
O=C(NCC1CC1)C(=O)NNc1cccc(C(F)(F)F)c1	191930408	PDPLKQNWPAWKSB-UHFFFAOYSA-N	301.268	1.675	50	20	DDGD	
Cc1c(C(=O)NNC(=O)N(C)C)cnn1-c1cccc(Cl)c1	194920140	NQBOVKISHVQMNM-UHFFFAOYSA-N	321.768	1.750	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1	97637189	ISSDAJVAYRRRGS-QMMMGPOBSA-N	318.116	1.550	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)CCc1cccnc1	142664576	LYEUCIKSEIBQCY-UHFFFAOYSA-N	313.357	1.631	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)C[C@H]1CSCCS1	269715153	ADNMEAOYGOTAOO-NSHDSACASA-N	311.432	1.010	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1ccc(OC(F)F)cc1	269596403	IJPHGHLEPJRGLD-UHFFFAOYSA-N	317.292	1.867	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)c1ccccc1F)N(C)C1CC1	264338300	YYEOSPKPTUYUHC-SNVBAGLBSA-N	308.357	1.252	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNC(=O)COc1cc(C)cc(C)c1	268120237	BRHKWYCTMHFUEE-LBPRGKRZSA-N	322.361	1.029	50	20	DDGD	
CC(C)OCC(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	264097197	GVYBZYUQLWMLNQ-UHFFFAOYSA-N	322.333	1.551	50	20	DDGD	
CSc1nnc(CNC(=O)NNc2ccc(C)nn2)s1	275455510	UFPGIBJWBLEQLJ-UHFFFAOYSA-N	311.396	1.185	50	20	DDGD	
COc1cc(CC(=O)NNC(=O)CC(C)C)cc(OC)c1O	278938198	FEQSKTMQCSJOLI-UHFFFAOYSA-N	310.350	1.145	50	20	DDGD	
C[C@H](C(=O)NNc1ccncc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	272601110	UISYPJJDJLEWGB-RAIGVLPGSA-N	316.361	1.088	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)n1	274141320	CIQJRRGKNYMZPF-VXGBXAGGSA-N	321.381	1.377	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@H]1CCc2nccn2C1	364955748	QYOSGIJVZXLOOX-JTQLQIEISA-N	301.306	1.497	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)NC1CC1)c1cn(C)c2ccccc12	274605858	GJSBCGOTIXXBJE-SNVBAGLBSA-N	300.362	1.775	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)[C@@H]1CCCS1	270745827	YWBVKKAARIBHEG-NSHDSACASA-N	312.416	1.527	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)COc1ccccc1F	279614554	JMLGTHXZJMYADQ-QWRGUYRKSA-N	322.336	1.357	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)nc1	275607099	QGHPRKTYINFPSL-MEBBXXQBSA-N	315.329	1.762	50	20	DDGD	
Cn1nc([C@H]2CCCO2)cc1NC(=O)NNC(=O)CC1CC1	279061427	SFLJOOVQJIBYSJ-LLVKDONJSA-N	307.354	1.224	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C[C@H]2CCC(=O)[C@H]2C)c1	279612967	JKIIRLXQCHXNFU-QWHCGFSZSA-N	318.373	1.527	50	20	DDGD	
CCOC(=O)C[C@H](C)CNC(=O)NNc1ccc(Cl)nn1	270446496	LOLHKRUWJPXMIU-QMMMGPOBSA-N	315.761	1.345	50	20	DDGD	
C=CCNC(=O)c1ccc(NC(=O)NNC(=O)CC(C)C)cc1	273449590	BXUKQXKBHZBSCT-UHFFFAOYSA-N	318.377	1.801	50	20	DDGD	
C[C@@H]1CCN(C(=O)NNC(=O)Cc2cccnc2)CC12CCC2	271560066	VUWYZYJGNMMPEP-CYBMUJFWSA-N	316.405	1.877	50	20	DDGD	
C=C[C@](C)(CC)C(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C	275947471	FXINHAKNSBNBBV-ZUZCIYMTSA-N	313.398	1.649	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCCC23CCOCC3)o1	282885949	QEJIGAMBKWSSEA-ZDUSSCGKSA-N	321.377	1.881	50	20	DDGD	
O=C(NNc1ncccn1)N[C@@H]1COc2cc(F)cc(F)c21	374972778	XMELOQKGVSOJGD-SECBINFHSA-N	307.260	1.515	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)Cn1cc([N+](=O)[O-])cn1	281673846	DOAZOLLOQGAGRM-UHFFFAOYSA-N	303.322	1.805	50	20	DDGD	
C=CC[C@@H](CC)NC(=O)NNC(=O)COc1ccccc1F	281250206	GCYBBYYMFKFSCV-LLVKDONJSA-N	309.341	1.890	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)C(C)(C)c1ccccc1)C(C)C	281557713	ZKHPLHRZKMCTOK-AWEZNQCLSA-N	301.390	1.952	50	20	DDGD	
Cc1nc2c(C(=O)NNC(=O)NCC(F)(F)F)cccc2[nH]1	282683628	DIJHFHYIZOUSKG-UHFFFAOYSA-N	315.255	1.378	50	20	DDGD	
CC[C@](O)(C(=O)NNC(=O)NC1CC1)c1cccc(Cl)c1	281950415	FLZMTVOLLWXNHU-CQSZACIVSA-N	311.769	1.430	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CCn2cc([N+](=O)[O-])nc2C)n1	299276519	MCDBMDLORNXZNG-UHFFFAOYSA-N	319.325	1.040	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2nc(C)oc2C)c1	292413317	YUPQKZDDFUIJNJ-UHFFFAOYSA-N	317.345	1.748	50	20	DDGD	
COCC[C@H](NC(=O)NNc1ncncc1F)c1ccc(C)o1	292370373	ARPJBMXIPSIGJY-NSHDSACASA-N	323.328	1.921	50	20	DDGD	
CN1C(=O)CC[C@@H]1C(=O)NNc1ccc(OC(F)(F)F)cc1	807067083	ZBSJZUWOMWCCDF-SNVBAGLBSA-N	317.267	1.649	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)Nc2ccccc2)c1-n1cccc1	801992399	LOPXSDFLVPSQIY-UHFFFAOYSA-N	324.344	1.677	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CCC[C@@H](CO)C2)cc(C#N)n1C	298345086	QDXZRABMEATGRJ-WXYNBALXSA-N	312.373	1.343	50	20	DDGD	
CN(C)C1(CNC(=O)NNC(=O)c2ccc[nH]2)CCCCCC1	298681640	YZHRJABRZDPFRA-UHFFFAOYSA-N	321.425	1.613	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cc(Cl)c(F)cc1Cl	295040775	YIQQUPCFILVOMO-UHFFFAOYSA-N	309.124	1.664	50	20	DDGD	
Cc1nnc(CCNC(=O)NNC(=O)OC(C)(C)C)s1	292481703	ZNZPRURZLKRSCT-UHFFFAOYSA-N	301.372	1.128	50	20	DDGD	
CC(=O)c1cccc(NC(=O)C(=O)NNc2cccc(F)n2)c1	807392382	MVZVWDRCWPTNAU-UHFFFAOYSA-N	316.292	1.505	50	20	DDGD	
Cc1nc2ccc(NC(=O)NNC(=O)[C@@H]3CC[C@H](C)O3)cc2o1	292539417	FALIBPJRPSLTES-UFBFGSQYSA-N	318.333	1.856	50	20	DDGD	
CCOCCCC(=O)NNC(=O)Cn1cnc2ccccc21	298650965	KETAKLMXGOLGHE-UHFFFAOYSA-N	304.350	1.000	50	20	DDGD	
Cc1cc(C)cc(C[C@H](C)NC(=O)NNC(=O)[C@@H]2CCCO2)c1	293230300	FYAAILSOTBKUBO-ZFWWWQNUSA-N	319.405	1.744	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)COc1ccc(F)cc1)C(C)(F)F	292789891	ZIQNSLSJYJMLMV-QMMMGPOBSA-N	304.268	1.643	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2c(F)ccc(O)c2F)cc1	809641869	VKRRATYSQCLCEC-UHFFFAOYSA-N	317.251	1.617	50	20	DDGD	
CC(C)(C)n1cnc(C(=O)NNc2ccc([N+](=O)[O-])cc2)n1	291841694	FQKWRLUPZJLZEK-UHFFFAOYSA-N	304.310	1.698	50	20	DDGD	
O=C(NNc1cccc(F)n1)C(=O)Nc1cc(F)cc(F)c1	807392092	RSCSRZRFPDIPHD-UHFFFAOYSA-N	310.235	1.581	50	20	DDGD	
COc1ccc(OCC(=O)NN=C(C)c2ccc(N)nc2)cc1	814719799	ALHISIBOUNIIIH-UHFFFAOYSA-N	314.345	1.592	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ncc(-c2ccccc2)s1	811637140	UIZPIBKBLPRFOV-UHFFFAOYSA-N	316.386	1.785	50	20	DDGD	
COc1ncc(C=NNC(=O)[C@H]2COc3ccccc3O2)s1	812221402	AAHPXGSXSPEONU-GFCCVEGCSA-N	319.342	1.442	50	20	DDGD	
O=C(NN=Cc1c(F)cccc1N1CCCC1)c1ccnnc1	817343355	RXFIOTRCDNKPLQ-UHFFFAOYSA-N	313.336	1.980	50	20	DDGD	
COc1ccccc1OCCNC(=O)NNc1ncncc1F	814268705	FVJOIDFWLLNABI-UHFFFAOYSA-N	321.312	1.329	50	20	DDGD	
CC1(C=NNC(=O)c2nn(-c3ccccc3)cc2O)COC1	814759773	OCJZNSPXYKWCAQ-UHFFFAOYSA-N	300.318	1.330	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NN=Cc2ccc3oncc3c2)c1	814882160	HWTPARKJSXPYSA-UHFFFAOYSA-N	323.312	1.945	50	20	DDGD	
COCCCOCC(=O)NNc1ccc(C)c(C(=O)OC)c1	816688412	PNLRWMVANJJZBK-UHFFFAOYSA-N	310.350	1.278	50	20	DDGD	
O=C(NN=C[C@H]1CCCOC1)c1csc(N2CCOCC2)n1	814749706	KDTGYAXKJPFRDY-LLVKDONJSA-N	324.406	1.122	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCc1occc1C	813842384	JVYFHJIBRFVHSR-UHFFFAOYSA-N	303.318	1.741	50	20	DDGD	
Cc1ccc(C(=O)C(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1	826281399	PUSIAMTUQBOKER-UHFFFAOYSA-N	322.328	1.501	50	20	DDGD	
CCN(CCO)NC(=O)[C@H]1CCN(c2cc(C)cc(C)c2)C1=O	823853068	YXVLFRURTSFSIM-OAHLLOKOSA-N	319.405	1.002	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Cc1ccccc1O[C@@H]1CCOC1	823887656	MTDOONCYCAMPQV-CQSZACIVSA-N	320.389	1.590	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@H](C)CC(=O)O)cc2C1	828309319	BMADZTWIVAEWQN-RKDXNWHRSA-N	324.402	1.745	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)C[C@@H]1CC[C@H]2C[C@H]12	822195986	QDOVADMBLIOECL-SRVKXCTJSA-N	306.337	1.788	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1CC12CCOCC2	826446733	WJOPLGBUGKFYRI-GFCCVEGCSA-N	314.349	1.127	50	20	DDGD	
COc1cc(-n2cccc2)c(Cl)cc1C(=O)NNC(C)=O	725878084	FAYNWKORMGGUQD-UHFFFAOYSA-N	307.737	1.920	50	20	DDGD	
CN1CCCC[C@H](C(=O)NNCC(F)(F)C(F)(F)F)C1=O	825004970	WTPCJDPATOXTCD-SSDOTTSWSA-N	317.258	1.063	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(C=NNC(=O)C(F)F)C1	496785468	NBHXGZBUPGDKCH-ISVAXAHUSA-N	303.309	1.611	50	20	DDGD	
C[C@H](CNC(=O)NNc1ccccn1)CNC(=O)OC(C)(C)C	493949571	RJXUJEKDJMQXQA-LLVKDONJSA-N	323.397	1.869	50	20	DDGD	
CC[C@H](Cc1ccccc1)N(C)CC(=O)NNC(=O)C(C)C	827893447	DYWGDQWLEYZNSG-OAHLLOKOSA-N	305.422	1.743	50	20	DDGD	
C#CCCN1CCC(NC(=O)/C(C#N)=C/c2ccc(O)cc2)CC1	491137459	XRDHZPVFKMBBMX-DTQAZKPQSA-N	323.396	1.903	50	20	DDGD	
CCOC(=O)NNC(=O)CCCC(=O)c1ccc(OC)cc1	495674627	UKZBIADNCQTCFG-UHFFFAOYSA-N	308.334	1.826	50	20	DDGD	
CN(NC(=O)[C@H]1CCC(=O)c2cccn21)C(=O)OC(C)(C)C	497202824	PGKMYUGPITWZRN-LLVKDONJSA-N	307.350	1.904	50	20	DDGD	
O=C(NCCc1ccc(O)cc1)NNc1cncc(Cl)n1	727229844	WVPVDANNBNKBFN-UHFFFAOYSA-N	307.741	1.704	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1C[C@@H](C(F)(F)F)CC[C@@H]1C	828756341	WAYYONMHAQEGIL-UWVGGRQHSA-N	309.332	1.453	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1cccc2cc[nH]c12	826974788	UKQZTGOODHSYOE-GWCFXTLKSA-N	316.361	1.423	50	20	DDGD	
COC(=O)NNC(=O)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	495447704	IMPSPRSGVDWTSR-SNVBAGLBSA-N	315.370	1.411	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1C[C@H]2CCC(=O)c3cccc1c32	828904024	LKSQHPAIYXRKPU-LLVKDONJSA-N	315.373	1.370	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCCSC(F)(F)F)cn1	491173710	FAZYRHQYTWNUEW-WTKPLQERSA-N	304.297	1.696	50	20	DDGD	
Cc1nnc(C(=O)NNC(=O)CCCc2ccccc2)s1	825744742	PQQCJKAIDXTYKB-UHFFFAOYSA-N	304.375	1.630	50	20	DDGD	
C[C@H]1CC[C@H](CCC(=O)NNc2cccc(-c3nn[nH]n3)c2)O1	824910978	ZSSZXPLZTIBELC-GXFFZTMASA-N	316.365	1.658	50	20	DDGD	
O=C(/C=C\c1ccccc1)NNc1ccc(-n2ccnc2)nn1	492921412	LDMPLQZUZHVODP-TWGQIWQCSA-N	306.329	1.819	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1ccc(Cl)s1	825596111	ZLIJFXILEHZVGZ-APPZFPTMSA-N	317.798	1.657	50	20	DDGD	
CC[C@H](CNCc1ccccc1B(O)O)Oc1ccccc1F	585031756	YCRJCIYDRMKOIL-CQSZACIVSA-N	317.169	1.453	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1	492990282	IWRJUNKQOCVCAG-SECBINFHSA-N	314.386	1.125	50	20	DDGD	
C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)NN(C)C(N)=O)C1	495542797	DYRVRWIQJFRKIR-VHSXEESVSA-N	314.386	1.064	50	20	DDGD	
CCC(CC)(CCO)CNC(=O)/C(C#N)=C\c1cnn(C)c1	491160161	KKQKMZXAFDLZGM-ZSOIEALJSA-N	304.394	1.632	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1cc(C(=O)OC)ccc1C(=O)O	737130329	XTAUIJCJMDHOQS-NTMALXAHSA-N	318.285	1.554	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(Cl)nn1)c1nnc2n1CCC2	730938000	VWOQAEVKXRLGKD-SSDOTTSWSA-N	322.760	1.055	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2nc(-c3cccnc3)no2)on1	733775356	DKBSBXRGATXTBL-UHFFFAOYSA-N	314.305	2.000	50	20	DDGD	
CNC(=O)c1ccc(C(=O)NNc2cnnc3ccccc23)cn1	733811745	ODOOEAFOPRMOKN-UHFFFAOYSA-N	322.328	1.141	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNC(=O)CCc1ccccc1	836605207	LQXCNOMAKVQWTD-KGLIPLIRSA-N	303.362	1.293	50	20	DDGD	
Cn1nnc2cc(NC(=O)NNC(=O)OC(C)(C)C)ccc21	831970259	BBVDMLNYPUKWHV-UHFFFAOYSA-N	306.326	1.530	50	20	DDGD	
Cc1cnccc1C=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1	834935287	QWFUOOQBDCMRCB-KFWWJZLASA-N	318.421	1.585	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)N[C@@H](C)C[C@H](C)N)c1	831198082	ZELXVKFWGWEQDZ-STQMWFEESA-N	322.409	1.138	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCC[C@@H]1CCC1CCCC1	584962815	KWLZAABDDKDCDP-QGZVFWFLSA-N	315.222	1.941	50	20	DDGD	
CCCN1CCCN(C(=O)[C@@]2(C)C[C@H]2Br)CC1=O	907665175	LDQNKGUHRAPNTP-MFKMUULPSA-N	317.227	1.631	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1	732754914	KYOAUETUCMZCFF-QWHCGFSZSA-N	324.425	1.154	50	20	DDGD	
CCCN1C[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2)CC1=O	839706247	PAKATYHIKDWOAR-SNVBAGLBSA-N	306.322	1.296	50	20	DDGD	
C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)NNC(=O)C2CCC2)C1	732243166	SPYGJSCVJNIVJC-CHWSQXEVSA-N	324.469	1.873	50	20	DDGD	
CN(C)C(=O)[C@H]1CCN(/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)C1	839635969	MJJPZUMIJGZBKY-XKBFBRDOSA-N	314.345	1.869	50	20	DDGD	
OB(O)c1ccc(CNc2ccc(F)cc2OCC2CC2)o1	585012461	YTALNBBERQPNIE-UHFFFAOYSA-N	305.114	1.499	50	20	DDGD	
C[C@H]1C[C@@H]1c1ccc(CCC(=O)NNC(=O)c2cnn(C)c2)o1	735444101	BLBFLYDIBBBAOJ-GWCFXTLKSA-N	316.361	1.530	50	20	DDGD	
COCC1(CNC(=O)NNC(=O)c2cccc(C)n2)CCCC1	836437980	QZMVRWGAAJOSRO-UHFFFAOYSA-N	320.393	1.541	50	20	DDGD	
O=C(NCCCN1CCCCC1=O)NNc1ccc(F)cc1	730129444	REMUOAOYPLLCFC-UHFFFAOYSA-N	308.357	1.854	50	20	DDGD	
CCN(C(=O)c1ccc(B(O)O)cc1)[C@@H](C)Cc1ccsc1	584974807	RBYMYMODHPHJLV-LBPRGKRZSA-N	317.219	1.521	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(Cc1ccccc1)CC(F)F	839502607	GXVRXMMJZIIOMN-NSHDSACASA-N	313.348	1.700	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1C(=O)NNc1ccc(-n2ccnc2)nn1	830423473	SHRFCOYADCVNPB-NEPJUHHUSA-N	300.366	1.932	50	20	DDGD	
CCOc1ccccc1C=NNC(=O)[C@H](C)CN1CCOCC1	916363746	YHRCLKKBZNGBHC-CQSZACIVSA-N	319.405	1.504	50	20	DDGD	
COC(=O)c1cc(OC(=O)[C@H](C)n2cncn2)ccc1[N+](=O)[O-]	732651543	NYWNAJQBYUMYNV-QMMMGPOBSA-N	320.261	1.140	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2(C(=O)OC)CC2)c(F)c1	837206920	INBIEWLVXVWKCJ-UHFFFAOYSA-N	310.281	1.009	50	20	DDGD	
CC(C)CN1CCO[C@H](CNC(=O)NNc2ccccc2)C1	734264505	WZUHXLNVPGPUOC-OAHLLOKOSA-N	306.410	1.670	50	20	DDGD	
C[C@@H](Cc1cccc(O)c1)NC(=O)NNC(=O)CC(F)(F)F	919784603	UGSRYSJWSQNLOG-QMMMGPOBSA-N	319.283	1.606	50	20	DDGD	
COCCN(C)NC(=O)c1cc(Cl)c2c(c1)OCCCO2	837623611	ZQXRTLQRRKUGQB-UHFFFAOYSA-N	314.769	1.724	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNC(=O)c1ccc(Cl)nc1	839543818	HNRKBNGDGJMJIU-VIFPVBQESA-N	313.741	1.085	50	20	DDGD	
CN1CC[C@H](NC(=O)NNc2ccc(Cl)cc2F)C1=O	919758105	MXUOZENBSWIJTB-JTQLQIEISA-N	300.721	1.336	50	20	DDGD	
Cn1cc(CCNS(=O)(=O)CCl)c2ccc(F)cc21	831130121	IMQYKOSSEGXUAL-UHFFFAOYSA-N	304.774	1.976	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc(F)cc1[N+](=O)[O-]	833247178	YZDLTGGKQNQGPO-NSHDSACASA-N	311.269	1.064	50	20	DDGD	
C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NN(C)C[C@@H](C)O	910159511	IUZDOODFTFAIAK-ZJUUUORDSA-N	320.311	1.817	50	20	DDGD	
Cc1ccc(C2(C(=O)NN(C)C[C@@H](C)O)CCOCC2)cc1C	910140067	GRKUMQNNLMZVPR-OAHLLOKOSA-N	320.433	1.695	50	20	DDGD	
COC1(OC)CCOC[C@@H]1NC(=O)[C@]1(C)C[C@H]1Br	912842305	YUKKSZIAHBCYNA-WCABBAIRSA-N	322.199	1.054	50	20	DDGD	
CCc1ccc([C@H](C)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	843646242	INOFZPSSPVNBMQ-YWPYICTPSA-N	304.390	1.925	50	20	DDGD	
C[C@@H]1CC[C@@H](CCC(=O)NNC(=O)c2ccc3c(c2)OCO3)O1	743284505	LDPJFLQKLLOPLO-PWSUYJOCSA-N	320.345	1.524	50	20	DDGD	
COC/C(C)=C/C(=O)NNC(=O)Cc1c[nH]c2ccccc12	845087866	LZUQLIMMRVIRMF-YRNVUSSQSA-N	301.346	1.451	50	20	DDGD	
Cn1c(NNC(=O)c2occ3c2CCOC3)nc2ccccc21	848380350	DAPGYVFAXUVDRI-UHFFFAOYSA-N	312.329	1.996	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)NCCc2cccs2)c2ncnn21	841622012	PXBKXQMANNROHU-SECBINFHSA-N	304.379	1.550	50	20	DDGD	
CCN(CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccccc1	843651708	OPRUMXNPFZNKAK-GXTWGEPZSA-N	305.378	1.085	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H](C)C(F)(F)F	743282567	OBLCNLMNUGCTKP-SECBINFHSA-N	318.295	1.974	50	20	DDGD	
COCC1(CC(=O)NNc2nc(O)c3ccccc3n2)CC1	844134192	BQOCPLXJWDOVEH-UHFFFAOYSA-N	302.334	1.595	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cc1cc(F)c(F)cc1F	843651616	DXNLOHINGPFGHD-IONNQARKSA-N	316.279	1.219	50	20	DDGD	
CC(=NNC(=O)C1CCCC1)c1cccc(S(N)(=O)=O)c1	915960654	NIBUZQRCRHRRQM-UHFFFAOYSA-N	309.391	1.364	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1cccc([N+](=O)[O-])c1	740764022	WEJXKABIUCKLHC-UHFFFAOYSA-N	320.349	1.740	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@]1(C)CCN(C(C)=O)C1	747303913	IDJBXFVGSIJPBM-OAHLLOKOSA-N	322.317	1.767	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)[C@@H]1CCc2ccccc2C1	844553247	RFOGIQFBXSTGEK-HUUCEWRRSA-N	302.374	1.508	50	20	DDGD	
COc1cc(C=NNC(=O)NC(C)C)c([N+](=O)[O-])cc1OC	745013310	VMCHIVFXQIMEDD-UHFFFAOYSA-N	310.310	1.654	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)NC[C@@H](C)C2CC2)c1	920054486	QFFDABASPDXLSS-SNVBAGLBSA-N	321.377	1.694	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CSCC(C)=O)cc1	846376090	RPSAAMVMOJOKNH-UHFFFAOYSA-N	310.375	1.167	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)CN1CCCCCC1=O	846642722	GHBOVYXRYRAGQQ-UHFFFAOYSA-N	309.341	1.680	50	20	DDGD	
C[C@@H]1C[C@@H](C)CN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C1	744385256	UWYBNMVGYWMIED-CHWSQXEVSA-N	314.389	1.297	50	20	DDGD	
CCC(=NNC(=O)COc1ccccc1OC)[C@@H]1CCOC1	741836575	HGFLVMOHZQQKNR-GFCCVEGCSA-N	306.362	1.993	50	20	DDGD	
CC(C[C@@H]1CCCC(=O)N1)=NNC(=O)CCN1CCCCCC1	841609764	BDVBFTRWPJZAMC-HNNXBMFYSA-N	322.453	1.803	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1cc2c(nc1O)CCC2	759294445	NJZOEBHEVPRFLO-UHFFFAOYSA-N	315.289	1.336	50	20	DDGD	
COC1(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)CCCC1	754174240	RAOBDKWFAYQSIM-NSHDSACASA-N	324.352	1.700	50	20	DDGD	
CCOCCOCc1cccc(NC(=O)NNC(=O)CC)c1	755979874	ACBLMLZMXRJAJX-UHFFFAOYSA-N	309.366	1.802	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2ccnc(O[C@@H]3CCOC3)c2)c1	755565642	QXRJZWNQWSZJAK-OAHLLOKOSA-N	324.340	1.878	50	20	DDGD	
COC(=O)CSCCC(=O)NC[C@]1(C)C[C@@H]1Br	857687771	AYEHZPZJJJFCBP-KWQFWETISA-N	324.240	1.572	50	20	DDGD	
CCN(CC)CCCNC(=O)NNC(=O)c1cc(C)cs1	858121032	SDCZOCSNOCWBRY-UHFFFAOYSA-N	312.439	1.732	50	20	DDGD	
CN(NC(=O)c1ccc2oc(O)nc2n1)C(=O)OC(C)(C)C	854918886	NTERZKHGMHLWDQ-UHFFFAOYSA-N	308.294	1.440	50	20	DDGD	
COCCN1[C@H]2CC[C@H]1CC(=NNC(=O)c1cccc(F)n1)C2	853445255	YCQHOCZVRYAILD-STQMWFEESA-N	320.368	1.580	50	20	DDGD	
CC(C)[C@@H]1C[C@H](C(=O)NNC(=S)NC(C)(C)C)CCO1	929430142	WNTSDYJDVRFXJK-MNOVXSKESA-N	301.456	1.731	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)c1ccccc1-n1ccnn1	857533389	WTUJUCCIUMCSHS-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
O=C1CCCCC[C@H](C(=O)NNC(=S)NCC2CCC2)C1	855090473	XAPJJLGORARAFE-LBPRGKRZSA-N	311.451	1.821	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1nc2cnccc2s1	854683221	MAQHJQDDXOCCJQ-VIFPVBQESA-N	306.347	1.021	50	20	DDGD	
O=C(NNC(=O)c1coc2c1C(=O)CCC2)OCC(F)(F)F	856018561	CLLGULIGQNYZPI-UHFFFAOYSA-N	320.223	1.732	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C(C)(C)SC	856792413	RGUMFPWWJUYJRB-UHFFFAOYSA-N	311.407	1.396	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(C)c(OCC(F)F)c1	756316383	CZFKKQULHOUQGW-UHFFFAOYSA-N	317.292	1.438	50	20	DDGD	
C[C@@H]1CN(c2ccccc2C=NNC(=O)NCC2CC2)CCO1	920828356	FUNOQWFZWDKSHD-CYBMUJFWSA-N	316.405	1.955	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Nc2ccc(-c3ccc[nH]3)cc2)cn1	757893585	ZXLOGMSCBURXRM-UHFFFAOYSA-N	324.344	1.882	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C[C@H](C)n2ccnc2)c1	920432857	XREQHSITPWZZOH-ZDUSSCGKSA-N	316.361	1.369	50	20	DDGD	
CC1(C)OCC(NC(=O)NC[C@@]2(C)C[C@@H]2Br)CO1	856884828	KYIGRZBGEKYGCF-JOYOIKCWSA-N	321.215	1.611	50	20	DDGD	
O=C(NC[C@@H]1CCCCS1(=O)=O)NNc1ccc(F)cc1	753272902	NWUQXIZKTWPPBH-LBPRGKRZSA-N	315.370	1.419	50	20	DDGD	
Cc1c(Br)cncc1C=NNC(=O)C(C)(C)O	853336481	BAFKZOKPPKZWHE-UHFFFAOYSA-N	300.156	1.374	50	20	DDGD	
C[C@@]1(CCC(=O)NNc2ccc([N+](=O)[O-])cc2F)CCC(=O)N1	855622416	FEDXSBKPBUYNAX-AWEZNQCLSA-N	324.312	1.626	50	20	DDGD	
C[C@@H](C[S@@](C)=O)NC(=O)NNc1ccc(F)cc1Cl	921922789	AJCAQOKGCPSNKL-ZDVLTJLQSA-N	307.778	1.872	50	20	DDGD	
Cc1ncc(C=NNC(=O)Nc2ccc(N(C)C)cc2)n1C	853310035	AQIFIXNARJICFD-UHFFFAOYSA-N	300.366	1.950	50	20	DDGD	
CC(C)c1n[nH]c(CNC(=O)NNc2ncc(Cl)cn2)n1	856907575	AGAMXJCZRTVACO-UHFFFAOYSA-N	310.749	1.198	50	20	DDGD	
O=C(NNc1ccc(F)cn1)N[C@H]1CCN(c2ccccn2)C1	753128837	UGTXYKSUHMDBRT-LBPRGKRZSA-N	316.340	1.521	50	20	DDGD	
C[C@@](O)(CC(=O)NNC(=O)OCC(F)(F)F)c1ccccc1	856022400	BLHLXXSGRAKBNK-GFCCVEGCSA-N	320.267	1.604	50	20	DDGD	
CN(CCn1cccn1)C(=O)NC[C@@]1(C)C[C@H]1Br	856900262	VLLUGDKCBBZCQB-ZYHUDNBSSA-N	315.215	1.698	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccc(Cl)cc1F	755381995	CQFBGIYHIUBZSA-UHFFFAOYSA-N	311.704	1.977	50	20	DDGD	
CCC(F)(F)C(=O)NNc1ccccc1S(=O)(=O)N(C)C	854606992	OWPDMPYTFSEXPE-UHFFFAOYSA-N	321.349	1.425	50	20	DDGD	
CC1(CO)CCN(C(=O)NC[C@@]2(C)C[C@@H]2Br)CC1	856951825	FCFFIDZBMLTFTG-GXFFZTMASA-N	319.243	1.964	50	20	DDGD	
CC1CC(NC(=O)NNC(=O)c2cc(Br)c[nH]2)C1	753023067	SFYIOAOCZZISLF-UHFFFAOYSA-N	315.171	1.520	50	20	DDGD	
CCCN1CC[C@@H](NC(=O)NNC(=O)Nc2ccccc2C)C1	852631986	NMUNCCSLIFMMCI-CYBMUJFWSA-N	319.409	1.815	50	20	DDGD	
Cc1nc(N2CCOCC2)sc1C(=O)NN=C[C@H]1C[C@@H]1C	758364974	JFAASIFQGCGDCB-GXSJLCMTSA-N	308.407	1.660	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1)c1ccoc1	755885770	GXTDQZUENGVIOZ-UPJWGTAASA-N	307.394	1.865	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)Cc2cccc3ccccc23)CCOC1	754058918	FNWYJCWUPIJQRO-GOSISDBHSA-N	312.369	1.956	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1ccccc1OC(F)F	755408301	BVRFHVNGRNWBPN-UHFFFAOYSA-N	323.259	1.545	50	20	DDGD	
CC(=O)N[C@](C)(C(=O)NNC(=O)CCc1ccccc1)C(C)C	931350061	RGONZGOFPRFPQS-KRWDZBQOSA-N	319.405	1.317	50	20	DDGD	
O=C(NN=C[C@H]1C[C@H]2C=C[C@H]1C2)c1ccc(-n2cnnn2)cc1	755570203	VTCDRLLXCBKDDL-FPMFFAJLSA-N	308.345	1.590	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@@H]1CCCc2nn[nH]c21	854459651	NUTUJTZOIAFIQL-SNVBAGLBSA-N	313.365	1.425	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cccnc1C1CC1)C1CC1	855099910	QEIAGAGADSXDRH-VIFPVBQESA-N	304.419	1.866	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)C(C)(C)S(=O)(=O)C1CC1	855370005	JWGMZGXUSRAEAS-UHFFFAOYSA-N	314.382	1.933	50	20	DDGD	
COC(=O)c1cc(C)cc(NC(=O)NNC(=O)C2CCC2)c1	933032244	MEJHMMVRMNFSQM-UHFFFAOYSA-N	305.334	1.734	50	20	DDGD	
C/C(C=NNC(=O)[C@H]1CCC(=O)N1)=C\c1cccc([N+](=O)[O-])c1	863153109	MUQHKCFHXUPJNV-RVKXJYFJSA-N	316.317	1.379	50	20	DDGD	
CNC(=O)[C@H](CC(C)C)NS(=O)(=O)CC(C)(C)CCl	867016971	ZUQGTIRSGRKIEA-JTQLQIEISA-N	312.863	1.332	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)c2ccccc2O)c1	763528568	PIDQNRQRJJXQJR-UHFFFAOYSA-N	313.313	1.100	50	20	DDGD	
CC[C@H](COC)NC(=O)NNc1ccccc1S(C)(=O)=O	765796041	ISMNLFPPYGOUSY-SNVBAGLBSA-N	315.395	1.141	50	20	DDGD	
N#CCCCOc1cccc(NCc2ccccc2B(O)O)c1	864019516	JTWKCHPATQCGSP-UHFFFAOYSA-N	310.162	1.661	50	20	DDGD	
CC(C)[C@H](CC1CCCCC1)C(=O)NNC(=O)[C@H]1CCC(=O)N1	862454951	LPJHCZIYCQNERJ-UONOGXRCSA-N	323.437	1.655	50	20	DDGD	
CC[C@@H](NS(=O)(=O)CC(C)(C)CCl)C(OC)OC	867494516	VPLYQGWOMLCTIE-SECBINFHSA-N	301.836	1.568	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1ccc2ccccc2c1	768494147	JHQBNUJMZVKIFW-UHFFFAOYSA-N	307.375	1.694	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(Cl)cc(Br)c1F	767681829	BRQOSNWJWLZGII-UHFFFAOYSA-N	324.537	1.815	50	20	DDGD	
COC(=O)NNC(=O)CCC(C)(C)NC(=O)OC(C)(C)C	765840180	QINDWUYGCSQKRU-UHFFFAOYSA-N	303.359	1.457	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)c1c[nH]nc1C)c1ccccc1F	760292368	UOFXSQMIUVRMBM-HNNXBMFYSA-N	320.324	1.180	50	20	DDGD	
COc1ccc(NNC(=O)C(F)(F)C(F)F)c([N+](=O)[O-])c1	769309354	FVARIWPEZWJWIJ-UHFFFAOYSA-N	311.191	1.947	50	20	DDGD	
COc1nccnc1NNC(=O)C(=O)Nc1cc(C)ccc1C	766270443	HEOJVFGOCPOONN-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccn(C)c2)cc1OC	763100306	HNJVUZVIFHALCU-UHFFFAOYSA-N	303.318	1.117	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCc2cncc3ccccc23)n[nH]1	765337683	QQCPMZNTKXXYPQ-UHFFFAOYSA-N	323.356	1.660	50	20	DDGD	
C[C@H](NNC(=O)COCCOc1ccccc1)C(F)(F)F	862308499	BNUTZXWEOVNQHT-JTQLQIEISA-N	306.284	1.654	50	20	DDGD	
COCC[C@@H]1COCCN1S(=O)(=O)CC(C)(C)CCl	867289474	NEKZMMGALVQHQX-LLVKDONJSA-N	313.847	1.319	50	20	DDGD	
Cc1cc(C(=O)NNc2cccc(S(C)(=O)=O)c2)ns1	768180504	LSBATMNNFRBNCW-UHFFFAOYSA-N	311.388	1.612	50	20	DDGD	
CO[C@@]1(CNC(=O)NNc2cccc([N+](=O)[O-])c2)CCOC1	764805387	VPCYWSRJRBWRMH-CYBMUJFWSA-N	310.310	1.026	50	20	DDGD	
Cc1nnc2ccc(C(=O)NNc3ccc([N+](=O)[O-])cc3)cn12	768255266	MLZRUKBKDQQBHZ-UHFFFAOYSA-N	312.289	1.703	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)CNc1ccccc1OC	878039188	MLMIJRSYTZEDMD-UHFFFAOYSA-N	309.366	1.070	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1ccc(C(C)(C)O)cc1	767380082	PRNGDPVSWHUTMW-UHFFFAOYSA-N	317.389	1.377	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)CCC(F)(F)F)n1	1116879555	FPPFJQJKCBHBGH-UHFFFAOYSA-N	304.272	1.629	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cc(Cl)nc(N)n2)cc1	779375570	YTSKATQSPDJVFF-UHFFFAOYSA-N	321.724	1.256	50	20	DDGD	
Cc1[nH]c(C=NNC(=O)c2n[nH]c3c2CCCC3)cc1C(=O)O	1116923898	MUJDZNCNCKNWTF-UHFFFAOYSA-N	315.333	1.387	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CN2CCCC2)c1C	873757723	JSLCXQNUZXJEER-UHFFFAOYSA-N	306.435	1.717	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1cc(OC)no1	773637219	CBNMTOKCRMVKBY-UHFFFAOYSA-N	309.253	1.366	50	20	DDGD	
CN(NC(=O)CN(Cc1cccnc1)c1ccccc1)C(N)=O	778412928	VOMAXEDMOISDOD-UHFFFAOYSA-N	313.361	1.130	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNC(=S)Nc1cc(C)ccc1C	873754255	IJCQUNPTRZJBSW-LLVKDONJSA-N	322.434	1.536	50	20	DDGD	
CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NNc1ccc(F)cn1	874649536	RFCUKLSUDAQIMC-VIFPVBQESA-N	322.262	1.367	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNc2cccc(C#N)c2)cn1C	770066722	LJQNSDKLKFSVBM-UHFFFAOYSA-N	313.317	1.832	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C[C@@H]1CC[C@H](C)C1	772186838	RJYLWEIBSZGTPY-RWMBFGLXSA-N	312.410	1.938	50	20	DDGD	
O=C(NNS(=O)(=O)CCC1CCCCC1)C1CCOCC1	882804744	WKMYEFNCROUAIJ-UHFFFAOYSA-N	318.439	1.334	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@@H](C)c1cccc(F)c1	772138386	WOJIFCVYNBQURP-GHMZBOCLSA-N	324.352	1.808	50	20	DDGD	
COCC[C@H](N)Cc1cn(/C(Cl)=C\CBr)nn1	881311023	WPIHVTHFXJCBDS-GFDSCXRLSA-N	323.622	1.617	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1ncccn1	772999971	WJTLQJDBGJJNFD-VIFPVBQESA-N	320.736	1.359	50	20	DDGD	
N#CSCCCNC(=O)c1nn(-c2ccccc2)cc1O	774296324	FJWXIBKBPBKKNH-UHFFFAOYSA-N	302.359	1.912	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1c[nH]cc1-c1ccccc1	883061871	KFFZYSCXEWKXPC-UHFFFAOYSA-N	313.357	1.869	50	20	DDGD	
C[C@@H]1CC[C@@H](C(=O)NNC(=O)COc2ccc(C#N)cc2)C1	776339560	USIGRHFOFSTAAE-DGCLKSJQSA-N	301.346	1.521	50	20	DDGD	
NC(=O)N1CCC[C@H]1C(=O)NNc1c(F)cc(F)cc1F	885151707	LBFZDFBJCDXZAB-VIFPVBQESA-N	302.256	1.090	50	20	DDGD	
Cc1ccsc1C(=O)NNc1ccccc1S(N)(=O)=O	788231782	KXGRYLJOLPJFSQ-UHFFFAOYSA-N	311.388	1.461	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2nccnc2C(N)=O)cc1	781042500	QGVGQBTUNPKXNO-UHFFFAOYSA-N	313.361	1.630	50	20	DDGD	
CCn1c(NNC(=O)[C@H]2CO[C@H](C)C2)nc2ccccc2c1=O	784337691	PRSBRIVWGFBTCL-GHMZBOCLSA-N	316.361	1.285	50	20	DDGD	
O=C(NNc1ncncc1Cl)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2	781008560	BVQDLQHGSLSGRW-FBIMIBRVSA-N	323.784	1.714	50	20	DDGD	
COc1cccc(C(=O)NCC(=O)NNc2cccc(C#N)c2)c1	782751569	CLFDXZZMNVNVLI-UHFFFAOYSA-N	324.340	1.440	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(C(=O)OCC)cnc1C	785862345	STADAKBZWDMTPN-UHFFFAOYSA-N	323.353	1.265	50	20	DDGD	
COCCn1cc(C(=O)NNc2c(F)cc(F)cc2F)nn1	885154157	YLTSNAXDBDWYAD-UHFFFAOYSA-N	315.255	1.099	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1ccc2c(c1)NC(=O)CO2	788714280	UDCCOSIKBVDIOT-UHFFFAOYSA-N	310.313	1.105	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1cc(F)ccc1N1CCOCC1	781020565	ZVMFVGYDODXOOV-UHFFFAOYSA-N	316.336	1.236	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)CO1	784145129	VIPWXXFKPJLGSD-MXWKQRLJSA-N	310.325	1.165	50	20	DDGD	
C[C@@H](Cc1ccccc1)NC(=S)NNC(=O)N1CCOCC1	786073300	MJAAVOQELBSUOV-LBPRGKRZSA-N	322.434	1.039	50	20	DDGD	
C#CCOCCNC(=O)NNC(=O)c1ccc2ccccc2c1	784197625	YXKGJPZMLQFRJM-UHFFFAOYSA-N	311.341	1.434	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2	785410027	QELJNYZPVXDENT-ZYUZMQFOSA-N	323.315	1.473	50	20	DDGD	
O=S(=O)(CBr)NCCn1cnc2ccccc21	272759125	CCMNPHRSVWLJNU-UHFFFAOYSA-N	318.196	1.308	50	20	DDGD	
CC(C)c1ncc(NC(=O)C(=O)NNc2ccccc2F)cn1	797005492	KCGXPQYKSSRSLD-UHFFFAOYSA-N	317.324	1.821	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C1CCCC1)c1ccc2c(c1)OCO2	794221623	LYMQJSXKVYZKNA-JTQLQIEISA-N	304.346	1.856	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1coc(C(C)C)n1	799474943	SDQUEFLNTUMRQY-JTQLQIEISA-N	313.379	1.073	50	20	DDGD	
C[C@@H](NC(=O)CCc1ccccc1)C(=O)NNc1cnccn1	799722679	NADWMQHAMYPOIL-GFCCVEGCSA-N	313.361	1.057	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)CNc2ccccc2)cn1C	790144382	PZTBLRXUCSABGN-UHFFFAOYSA-N	314.345	1.374	50	20	DDGD	
COCCOC1CCC(C(=O)NNc2cc(C)ncn2)CC1	795104629	UJONVSAASYLYSN-UHFFFAOYSA-N	308.382	1.450	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)C1=NO[C@H](c2ccccc2)C1	791243878	SNJNAVXFJUSRBC-ZDUSSCGKSA-N	322.328	1.690	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)Cc2nccs2)n1	793222962	AWRYBEHUTNTPIJ-UHFFFAOYSA-N	305.363	1.333	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCC[C@@H]1c1ccccn1	794916495	ZWNLINBJCZQULW-CHWSQXEVSA-N	305.378	1.873	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)NC1CCC(F)(F)CC1	790439996	RUDWWYBSWULZQW-UHFFFAOYSA-N	310.308	1.933	50	20	DDGD	
CC(C)n1nccc1C=NNC(=O)c1nnc(O)c2ccccc12	794471348	QJIXHHOFRQQQKS-UHFFFAOYSA-N	324.344	1.877	50	20	DDGD	
Cc1ncsc1CNC(=O)NNc1nc2ccccn2n1	790289084	DYKDKJXRLRESOC-UHFFFAOYSA-N	303.351	1.321	50	20	DDGD	
CC(=NNC(=O)Cc1nc2ccccc2n1C)c1cc(C)on1	790288287	CJVFLLPDOPSRRB-UHFFFAOYSA-N	311.345	1.953	50	20	DDGD	
COC(=O)C(=O)NNC(=O)Nc1ccccc1C(F)(F)F	1318898062	INAXTGZTUSFVGP-UHFFFAOYSA-N	305.212	1.031	50	20	DDGD	
Cc1nnc(NNC(=O)c2cc(C)n(CC3CC3)c2C)nc1O	1318319972	BMURDYSMALGDEU-UHFFFAOYSA-N	316.365	1.471	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1nnc(NC(C)C)s1	1318613745	LDZHYOHTPWJDLC-SSDOTTSWSA-N	317.440	1.396	50	20	DDGD	
C[C@](O)(C(=O)NNc1cncc(Br)c1)C1CC1	1324326341	BAUAISVAPNQOML-LLVKDONJSA-N	300.156	1.448	50	20	DDGD	
O=C(CCO)NN=Cc1ccc(OCC(F)(F)F)c(F)c1	1325378320	PXUIEUDRCDKENZ-UHFFFAOYSA-N	308.231	1.599	50	20	DDGD	
Cc1cc(C)cc(CCNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	1326733271	MOHFSXQGWJRFGP-HIFRSBDPSA-N	319.405	1.601	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2cccnn2)cc1Cl	1320714521	CAZROPRECGQBED-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
C[C@@H]1CCC[C@@]1(C)C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1324352639	QPBMPBPSZIOPGN-QLJPJBMISA-N	304.394	1.876	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CNc1ccccc1	1335406846	SMZILZGXSCHLGP-ZFWWWQNUSA-N	303.362	1.227	50	20	DDGD	
CCn1cc(Br)c(C(=O)NN=c2cc[nH]c(C)c2)n1	1263866052	BRNQDSQKXUWMFA-UHFFFAOYSA-N	324.182	1.548	50	20	DDGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)[C@H]1C[C@@H]1F	1346229778	AWKYIPMZAUSJRR-UWVGGRQHSA-N	302.758	1.938	50	20	DDGD	
O=C(O)C1(C(=O)NN=c2cc[nH]cc2Cl)CCSCC1	1605936002	WUFBFBZUOAGBCT-UHFFFAOYSA-N	315.782	1.198	50	20	DDGD	
C[C@H](CC(=O)O)NC(=O)NNC(=O)C(C)(C)c1ccccc1	1603125110	CFYFICQQVXGNIF-SNVBAGLBSA-N	307.350	1.158	50	20	DDGD	
Cc1nnc(O)c(C(=O)NNc2cccc(F)c2C(=O)O)c1C	1600667375	CSOSNTZJZZDDLN-UHFFFAOYSA-N	320.280	1.393	50	20	DDGD	
CC1=C(C(=O)NNc2ccc(CC(=O)O)cc2)C(=O)OC1(C)C	1604607305	IADLMYOSOLBUPA-UHFFFAOYSA-N	318.329	1.409	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)/C=C\C2CCOCC2)cc1	1608780302	DMXYYAJRKBVRCU-UTCJRWHESA-N	304.346	1.740	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc(/C=C/C(=O)O)o1	1600566280	VKZLVBQQXZCDOS-VQHVLOKHSA-N	314.297	1.761	50	20	DDGD	
Cc1noc(C)c1C(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1600806736	SJTYWQKVNTZHGP-UHFFFAOYSA-N	324.362	1.498	50	20	DDGD	
Cc1ncc(NC(=O)NNc2ccc(F)c(C(=O)O)c2)cn1	1600744399	WKIOJJNQKJTJRH-UHFFFAOYSA-N	305.269	1.771	50	20	DDGD	
C[C@H](CC(=O)O)CC(=O)NNC(=O)CCCc1cccs1	1604105739	DENKELMYIKQBAV-JTQLQIEISA-N	312.391	1.719	50	20	DDGD	
N#Cc1ccc(NC(=O)NNc2ccc(C(=O)O)cc2F)nc1	1601107184	GDMMBDXCTWBGQY-UHFFFAOYSA-N	315.264	1.939	50	20	DDGD	
O=C(NNc1ncccc1Br)[C@H]1C[C@H]1C(=O)O	1601561921	IUYMHPQWEAFTAL-NTSWFWBYSA-N	300.112	1.008	50	20	DDGD	
Cc1ccccc1[C@H](NNC(=O)c1cccc(C#N)c1)C(=O)O	1610529154	KYCAXENSEFSGSC-HNNXBMFYSA-N	309.325	1.927	50	20	DDGD	
CCc1cnccc1C(C)=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549318790	DROIQCOZUHEXDR-HOCLYGCPSA-N	316.405	1.347	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1ccccc1	1549316377	RQAVZRKPMWJUBG-GOEBONIOSA-N	301.390	1.780	50	20	DDGD	
COc1ccccc1C=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549314165	HPKIQBCMQXQPGI-DZGCQCFKSA-N	303.362	1.009	50	20	DDGD	
CC[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](Cl)CC	1800068051	ZECCTCCONADYHJ-PPCPHDFISA-N	316.829	1.413	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@]2(C)CCCN2)c(C)c1	1579723674	HTWSIAYEHSJICK-HNNXBMFYSA-N	306.435	1.763	50	20	DDGD	
N#CC1=CCN(C(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)CC1	1645778084	BUASUZVGRRUVQT-CQSZACIVSA-N	316.382	1.630	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H]2NCC2(C)C)c1	1574151758	BZXLFKYCHHEAIN-LBPRGKRZSA-N	306.435	1.619	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCC[C@@H](N)C2)c1F	1578877726	JAQUMVMTZNTCIK-VHSXEESVSA-N	309.341	1.573	50	20	DDGD	
CC(C)c1nnsc1C(=O)NNc1ncccc1C(=O)O	1588981588	WMFMTQNYLIEYOG-UHFFFAOYSA-N	307.335	1.512	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H](C)C2CCC2)o1	1589774326	YZXAJMCRKKQRGV-MRVPVSSYSA-N	319.369	1.857	50	20	DDGD	
NC[C@@H](C(=O)NNC(=O)c1ccccn1)C1CCCCCC1	1580216417	YXFCGOAILBNBKS-CYBMUJFWSA-N	304.394	1.388	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc2c(c1)CCCN2	1580732242	ACTCFJAWSVHUCW-AWEZNQCLSA-N	303.362	1.375	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)c1cccn(CC(=O)O)c1=O	1594365064	KTJIWXRFZGDLDV-UHFFFAOYSA-N	319.292	1.137	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](CF)C(=O)O)cc1	1597081458	KNFRWKCTWUVKQZ-SVTZGKHISA-N	306.293	1.531	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1ccc[nH]1)C2	1845166071	ZCNNGUXCCIDVMY-LLVKDONJSA-N	309.797	1.849	50	20	DDGD	
COc1c(C(=O)NNc2cccc(C(=O)O)c2F)c(C)nn1C	1599328544	ULTRWCGTFGMPNT-UHFFFAOYSA-N	322.296	1.331	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)C2(CC(=O)O)CCC2)c1	1593714513	GHTOWHIHCVWHAV-UHFFFAOYSA-N	319.361	1.159	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC/C=C(\C)C(=O)O)c1ccccc1	1594737328	TZTBXDHUTMPBHC-YGNAEDSMSA-N	319.361	1.542	50	20	DDGD	
COCCCNC(=O)NN=C1CCc2cccc(C(=O)O)c21	1776039330	JTYSZJBERXPURJ-UHFFFAOYSA-N	305.334	1.371	50	20	DDGD	
Nc1ccc(C(=O)NN=C2CCCc3ncc(C(=O)O)cc32)cc1	1776015003	YFJBQKGOPQMLTL-UHFFFAOYSA-N	324.340	1.832	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2ccc(C)c(C)c2)n1	160405196	TUSDOOWEZAOYMS-UHFFFAOYSA-N	315.377	1.970	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCc2ccncc2C)n1	164059404	OYNLGESMQDUHOQ-UHFFFAOYSA-N	316.365	1.366	50	20	DDGD	
O=C(CCCc1nc(C2CC2)no1)NNc1ccc(Cl)nn1	155255730	BNPGYFHAYPPOKN-UHFFFAOYSA-N	322.756	1.856	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2ccncc2)cnn1CC(C)C	157193300	JVOYAJYXLMLZJV-UHFFFAOYSA-N	315.377	1.571	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2CCOC3(CCCC3)C2)nn1	157337973	VIDZRIUNFSYMLD-LBPRGKRZSA-N	305.382	1.903	50	20	DDGD	
O=S(=O)(NCCC1(CO)CC1)c1ccc(CCCl)cc1	395912438	RYCINRUUEWYRKI-UHFFFAOYSA-N	317.838	1.909	50	20	DDGD	
CN(C[C@H](O)CN1CCCC1)NC(=O)OCc1ccccc1	859387614	FAILIYYURHFKHO-HNNXBMFYSA-N	307.394	1.216	50	20	DDGD	
O=C(CCn1cccn1)NNC(=O)c1cccc2ncccc12	106813221	AQPLEVORJXYMFG-UHFFFAOYSA-N	309.329	1.283	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)C(=O)NC(C)C)sc1C	8391299	YIUBTKBOLGPLRD-UHFFFAOYSA-N	311.407	1.295	50	20	DDGD	
O=C(CSc1nc2ccccc2o1)NNc1cnccn1	114878837	CFRYZKLZBRGZQR-UHFFFAOYSA-N	301.331	1.853	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCCc2cscn2)c1	119536587	WOULGTGQCBJYJK-UHFFFAOYSA-N	315.358	1.201	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(C[C@@H]1CCOC1)C1CC1	111201549	AZVQBHBHKBCVJQ-STQMWFEESA-N	311.426	1.069	50	20	DDGD	
CCCCN(C)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	23991670	ZNWMALYVUGXCGQ-UHFFFAOYSA-N	308.338	1.088	50	20	DDGD	
O=C(CCC1CC1)NNC(=O)C1CCN(c2ncccn2)CC1	115062330	UMZMQRIQTKIQFM-UHFFFAOYSA-N	317.393	1.031	50	20	DDGD	
N#Cc1ccc(CSCC(=O)NNC(=O)NCC2CC2)cc1	65191969	UWDVURAKWKJCLZ-UHFFFAOYSA-N	318.402	1.532	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](c2ccc(OC)cc2)C1	111211771	LIJVJUDKRSIYFF-JSGCOSHPSA-N	319.405	1.430	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CCNc2ccccc2)cc1	61464199	VAGFCXJABWACGF-UHFFFAOYSA-N	308.341	1.821	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCN(CC)c1cccc(C)c1	66697602	ZDHJFZXVBMQECS-UHFFFAOYSA-N	322.409	1.188	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1c(C)noc1C	69157985	QHDMUOWNHVJOLP-UHFFFAOYSA-N	317.345	1.694	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C(C)(C)Cc2ccccc2)cn1	117681559	AXMGJDRHWLOHQT-UHFFFAOYSA-N	300.362	1.450	50	20	DDGD	
O=C(NNc1c(F)cccc1F)C(=O)Nc1ccc(F)nc1	119881604	NTCCTUBTLVJTEF-UHFFFAOYSA-N	310.235	1.581	50	20	DDGD	
CCN(CC)c1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1	119955245	XZLWTNQAAAWZAD-UHFFFAOYSA-N	300.362	1.936	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)OCC(=O)NC2CC2)c1	21748052	PSKQVQKWWDEQHA-KPKJPENVSA-N	300.314	1.424	50	20	DDGD	
Cc1nn(C(F)F)c(C)c1CC(=O)NNC(=O)NCC1CC1	65597715	SAWABYJBMRPCTK-UHFFFAOYSA-N	315.324	1.178	50	20	DDGD	
CN(C)C(=O)CNC(=O)NNc1cc(C(F)(F)F)ccc1F	179221030	AEDGJVCSNRVXPI-UHFFFAOYSA-N	322.262	1.559	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNC(=O)Cc1ccncc1	127333790	MIWHBRAFGIKLNM-OLZOCXBDSA-N	315.398	1.945	50	20	DDGD	
CN(C)Cc1c(C(=O)NNC(=O)NC2CC2)oc2ccccc12	73081177	RTUKWHKJZDEZPI-UHFFFAOYSA-N	316.361	1.601	50	20	DDGD	
O=C(NCc1ccc(-n2ccnc2)cc1)NNc1cccnn1	77350085	DGOXMCPSDJSSQT-UHFFFAOYSA-N	309.333	1.489	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1cccc2[nH]ccc12	184732255	RSOBTINASBENDB-UHFFFAOYSA-N	309.329	1.958	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1cc(C)ncn1	126693554	IEYAZVTYHNVNHI-UHFFFAOYSA-N	320.736	1.522	50	20	DDGD	
C[C@H](C[S@@](C)=O)NC(=O)NNc1ncnc2ccsc12	183648367	OKYWVPJIGFECSD-JLPJYYFKSA-N	313.408	1.084	50	20	DDGD	
CCCc1ccccc1NC(=O)C(=O)NNC(=O)[C@@H](C)CC	124734508	NHQXSTQQLCPXAN-NSHDSACASA-N	305.378	1.771	50	20	DDGD	
C/C=C/C[C@H](CO)NC(=O)NNC(=O)CCCc1ccccc1	185668211	KVIAYAVXQVEJGQ-XYBNCVKDSA-N	319.405	1.667	50	20	DDGD	
Cc1ccc(C)n1-c1c(C(=O)NNc2cnccn2)cnn1C	133372178	QOEIYBBAVBDCHV-UHFFFAOYSA-N	311.349	1.375	50	20	DDGD	
O=C(CCn1cc([N+](=O)[O-])cn1)NNc1ccc([N+](=O)[O-])cc1	134067331	KQGCOBJSTSUPQJ-UHFFFAOYSA-N	320.265	1.233	50	20	DDGD	
O=C(NCCCn1ccnc1)NNC(=O)c1cccc(Cl)c1	42900655	OUACZZIXJMVCEI-UHFFFAOYSA-N	321.768	1.571	50	20	DDGD	
COC(=O)NNC(=O)c1cnc(Cc2ccccc2F)s1	188244383	KTOCXVFXHSVUGJ-UHFFFAOYSA-N	309.322	1.874	50	20	DDGD	
O=C(NNC(=O)c1cccnc1Br)c1ccncc1	131528519	INYBQNWVXXGNKB-UHFFFAOYSA-N	321.134	1.314	50	20	DDGD	
Cc1ccnc(NNC(=O)c2ccc(OCC(N)=O)cc2)c1	88423485	WJMUMTVLLXMIIZ-UHFFFAOYSA-N	300.318	1.011	50	20	DDGD	
CCc1cnc(NC(=O)C(=O)NNc2cccc(F)c2)s1	190791594	SYLRJKMOGXAVSG-UHFFFAOYSA-N	308.338	1.926	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1CNC(=O)NNc1ccccn1	193950772	CLLZMOAJBLQIAS-UHFFFAOYSA-N	317.305	1.825	50	20	DDGD	
CC(C)n1cc(C(=O)NNC(=O)CCc2ccccc2)cn1	190764859	YNWCQTGQPPGONJ-UHFFFAOYSA-N	300.362	1.858	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl	190052407	RINLNQYNFSRNNT-SFYZADRCSA-N	314.744	1.501	50	20	DDGD	
O=C(CNC(=O)c1ccccc1)NNC(=O)NC1CCCCC1	192748803	YLVXOZXRDBAQFX-UHFFFAOYSA-N	318.377	1.080	50	20	DDGD	
CCC1(CC)[C@@H](OC)C[C@@H]1N(C)CC(=O)NNC(=O)C1CC1	140732542	HYRUPDDFJFRIDZ-STQMWFEESA-N	311.426	1.069	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNc2ncccn2)cc1OC	255036390	LHAJQYXZEVVWMA-ALCCZGGFSA-N	300.318	1.650	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCOCC2)s1)c1ccccn1	252452682	WAQVYRSGWHTLLY-UHFFFAOYSA-N	316.386	1.744	50	20	DDGD	
CC(C)Cn1c(SC/C=C/C#N)nnc1N1CCOCC1	268592406	HSNZBVWBTRUOFK-ONEGZZNKSA-N	307.423	1.943	50	20	DDGD	
O=C(NNC(=O)C1(c2ccccc2)CCOCC1)C1CCC1	264649037	AYGRMAYHKWUIFE-UHFFFAOYSA-N	302.374	1.682	50	20	DDGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCC[C@H](OCCO)C1	267387776	NXNZOOJOHWONGV-CZPXXAPJSA-N	317.345	1.933	50	20	DDGD	
C[C@@H](C#N)Oc1ccccc1NC(=O)NNC(=O)C1CCC1	272887300	XVKAGUSNEOAKKY-JTQLQIEISA-N	302.334	1.930	50	20	DDGD	
CC(C)[C@@]1(C)C[C@@H]1C(=O)NNC(=O)CNC(=O)c1cccs1	274996681	ZTRZVWBXTSLSRO-MEBBXXQBSA-N	323.418	1.308	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H](c2ccco2)C1	364561157	AUNJPTVBTNQROE-CYBMUJFWSA-N	314.345	1.447	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1cc(C(F)(F)F)cnc1O	273494322	OYPNBCCFWWSKCE-UHFFFAOYSA-N	318.255	1.759	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(OCC(F)(F)F)cn1	277671349	DOHLTLIPJXVEDO-UHFFFAOYSA-N	320.271	1.329	50	20	DDGD	
O=C(NC[C@H]1CSCCS1)NNc1nc2ccccn2n1	276916047	PMONGLJAQWXEIF-VIFPVBQESA-N	324.435	1.204	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@H]1CCO[C@H](C)C1	272113578	RSDODIZLMMREJJ-NEPJUHHUSA-N	322.361	1.037	50	20	DDGD	
COC(C)(C)CC(=O)NNc1nc2ccccc2c(=O)n1C	279047739	OZTHENBIIAECSQ-UHFFFAOYSA-N	304.350	1.192	50	20	DDGD	
CS(=O)(=O)c1ccc(NC(=O)CN2CC=C(C#N)CC2)cc1	272722401	ZPSAOBUXCHGVSE-UHFFFAOYSA-N	319.386	1.184	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc(-c2nccn2C)c1	372523526	QSOFGGSNQUKKRI-UHFFFAOYSA-N	316.365	1.785	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CC(O)(C3CC3)C2)cc(C#N)n1C	372690045	NQJFBOGNLWSBGH-WLRTZDKTSA-N	310.357	1.095	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC=C(C#N)CC1	272840492	RDHPVYGSHHPZIA-UHFFFAOYSA-N	307.331	1.748	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)NC2CCCCC2)c(C2CC2)n1	281457820	FJEXQSHWPUJMBV-UHFFFAOYSA-N	317.393	1.939	50	20	DDGD	
CSSCCNC(=O)c1cnc2sc(C)cn2c1=O	285856095	YVDJWKYDVIUEFR-UHFFFAOYSA-N	315.445	1.805	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H]1O[C@@H](C)C[C@H]1C	282773463	VDBXTKXMCDCOBJ-BFQNTYOBSA-N	320.389	1.589	50	20	DDGD	
O=C(NNS(=O)(=O)c1cc(Cl)ccc1F)C1CCC1	283838290	LWZUTKHJMYDFSX-UHFFFAOYSA-N	306.746	1.589	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CCC2(C)C)cc1	288069963	QTZPQIUWODDCBP-CYBMUJFWSA-N	305.378	1.893	50	20	DDGD	
C[C@@H](CF)NC(=O)NNC(=O)CSc1ccccc1O	289258957	VACDVIUQKKRDHD-QMMMGPOBSA-N	301.343	1.173	50	20	DDGD	
CCO[C@@H]1C[C@@](O)(CNC(=O)NCCSSC)C1(C)C	807227719	DHRZEXPFZPHVNK-ZWNOBZJWSA-N	322.496	1.863	50	20	DDGD	
CCCN(C[C@H](C)CBr)[C@H]1CC(=O)N(C)C1=O	801587057	WPAAWBDBMOTELR-ZJUUUORDSA-N	305.216	1.487	50	20	DDGD	
CCCN1CC[C@H](CNC(=O)NNc2ncc(F)cc2F)C1	296481248	NEOCBSAUBWLEIL-SNVBAGLBSA-N	313.352	1.718	50	20	DDGD	
Nc1nc(C2CCCC2)ncc1C(=O)NNC(=O)C1CCCC1	806442762	IVOCAERZFJNCID-UHFFFAOYSA-N	317.393	1.668	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1cccc([N+](=O)[O-])c1	296426514	WIDGDZRVBZOEND-LLVKDONJSA-N	308.294	1.317	50	20	DDGD	
COc1ccccc1/C(C)=C/C(=O)NNC(=O)[C@H]1CCCCO1	295678145	XRPCUGJJOBINOH-AYJWMTRPSA-N	318.373	1.815	50	20	DDGD	
C[C@H](Oc1ccc(C=O)cc1)C(=O)NNc1ncncc1Cl	803153089	SIMSRVLNLHJIAB-VIFPVBQESA-N	320.736	1.853	50	20	DDGD	
CC(C)c1ncc(Cl)c(C(=O)NNc2ncncc2F)n1	294216857	YNBGCWXVWRDWLC-UHFFFAOYSA-N	310.720	1.939	50	20	DDGD	
N#Cc1ccc(CCC(=O)NNC(=O)N=c2cc[nH]cc2)cc1	802025333	BFWLCCBIXFNXOW-UHFFFAOYSA-N	309.329	1.161	50	20	DDGD	
O=C(CCNC(=O)c1ccc(F)cc1)NNc1cccc(F)n1	804771183	KQFJBLJXIQUUDW-UHFFFAOYSA-N	320.299	1.623	50	20	DDGD	
COc1cccc(NNC(=O)c2cc3ccccc3c(=O)n2C)n1	803081277	GHWFFLDDYRMISC-UHFFFAOYSA-N	324.340	1.699	50	20	DDGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1c[nH]nc1[N+](=O)[O-]	801623271	FQICTMXXGZZMHQ-UHFFFAOYSA-N	316.199	1.489	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1oc(C(C)C)nc1C	293059659	GJYVQRWSEDZBFB-UHFFFAOYSA-N	316.452	1.578	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNC(=O)c2ccncc2)cc1	809937691	YTQSVHQVKUQYHN-UHFFFAOYSA-N	313.313	1.333	50	20	DDGD	
COC(=O)[C@H]1CC[C@H]1C(=O)NNc1cccc(NC(C)=O)c1	293847349	FZAFPIVRMIFTOL-OLZOCXBDSA-N	305.334	1.287	50	20	DDGD	
CC[C@@H]1[C@@H](C)CCN1CC(=O)NNC(=O)c1ccc(F)cc1	299196909	DXGBLXPKHZGDRJ-SMDDNHRTSA-N	307.369	1.707	50	20	DDGD	
O=C(CCNC(=O)c1cccs1)NNc1ncccc1F	804220449	ZPWUUEQHDUBXBQ-UHFFFAOYSA-N	308.338	1.545	50	20	DDGD	
CC(C)(C)n1cc(NC(=O)C(=O)NNc2ncccc2F)cn1	807301071	TVOUFEGLKLLVCZ-UHFFFAOYSA-N	320.328	1.254	50	20	DDGD	
CCOc1ccc(NNC(=O)CS(=O)(=O)C(C)(C)C)cc1	294401401	QMDCDFKBOGBFEJ-UHFFFAOYSA-N	314.407	1.742	50	20	DDGD	
Cn1cncc1CCC(=O)NNC(=O)Nc1cc(F)cc(F)c1	802006506	KLSGWUVPZYUKQH-UHFFFAOYSA-N	323.303	1.484	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@@H]1CCc2cccnc21	819864590	DBICSUOOGFRTEO-OAHLLOKOSA-N	309.369	1.892	50	20	DDGD	
CCCCC(=O)N1CSC[C@H]1C(=O)NCCCSC#N	819699285	YLQSCAROAYTZLK-NSHDSACASA-N	315.464	1.799	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC1(c2cccc(OC)c2)CC1	812476091	MUPATDJMXNCVQN-UHFFFAOYSA-N	321.377	1.094	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)n1	813573529	JAAYJUXKNUBPIF-UHFFFAOYSA-N	317.255	1.698	50	20	DDGD	
CC[C@H](C)CONC(=O)NNC(=O)COc1cccc(C)c1	813824107	WEEATGMPNHDVBR-NSHDSACASA-N	309.366	1.682	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cccc(Cl)n2)cn1	817011818	KYUIYKVJOMGPCR-UHFFFAOYSA-N	306.709	1.674	50	20	DDGD	
Cn1c2c(ccc1=O)C(=NNC(=O)c1ccc(N)cc1)CCC2	814690627	SVRJDGOKKNPBRT-UHFFFAOYSA-N	310.357	1.438	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2cncn2C1)c1ccc(Cl)cc1	816818490	CATBTDNWGMSDPD-LLVKDONJSA-N	318.764	1.560	50	20	DDGD	
Cc1ccc(NNC(=O)NCC[C@]2(O)C[C@H]3CC[C@H]2C3)nc1	814347151	WXMCLKONVQGUDC-XEZPLFJOSA-N	304.394	1.957	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)c2c(C)nc3ccccn23)C1	819806872	ZWXOMSPSXNSWSP-UHFFFAOYSA-N	314.345	1.702	50	20	DDGD	
COc1cc(C=NNC(=O)Cc2nc(C)cs2)cc(O)c1O	725857182	FBXBJKGBMVXCPK-UHFFFAOYSA-N	321.358	1.564	50	20	DDGD	
C[C@H](CCCc1ccccc1)C(=O)NNC(=O)c1ccnnc1	817693483	PMTAMMCYHUHOSB-CYBMUJFWSA-N	312.373	1.897	50	20	DDGD	
O=C1C[C@H](C(F)(F)F)[C@H](C(=O)NNc2ccccc2)CN1	821142298	AXRBYZXFTJWYGB-ZJUUUORDSA-N	301.268	1.444	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NN(C)[C@H](C)CO)n[nH]2)cc1C	823935637	UTJLDMFZGDMGFP-GFCCVEGCSA-N	302.378	1.651	50	20	DDGD	
N#Cc1ccc(SCC(=O)NNC(=O)c2ccc[nH]2)cc1	728513242	FGDCUAYMDPFXRW-UHFFFAOYSA-N	300.343	1.440	50	20	DDGD	
O=C(Cn1cc([N+](=O)[O-])cn1)NNc1ccc(F)c(F)c1F	728715697	WCDVOQBHXMHWLW-UHFFFAOYSA-N	315.211	1.352	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CCO[C@@H](CF)C2)cc(C#N)n1C	491161369	ODFDMNCIUAZZTB-WQPBDQAGSA-N	316.336	1.309	50	20	DDGD	
Cn1cc(-c2nn[nH]n2)cc1C(=O)NNc1ccccc1F	826358311	OLONKVGLDFMAFL-UHFFFAOYSA-N	301.285	1.101	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccnc(OCC(F)(F)F)c1	491844476	BFZMTOHHFQHZOQ-UHFFFAOYSA-N	307.228	1.414	50	20	DDGD	
CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1cc(C)ccc1C	728437945	YQFCCPMLOAUUAP-LBPRGKRZSA-N	311.407	1.081	50	20	DDGD	
C[C@H]1CC(=NNC(=O)CCCNC(=O)OC(C)(C)C)CCO1	494591699	YOXCXCNZWZQBLM-NSHDSACASA-N	313.398	1.962	50	20	DDGD	
CC(Cc1ccsc1)=NNC(=O)[C@@H]1CCS(=O)(=O)C1	729635265	KYKPVGCCNYIGNI-LLVKDONJSA-N	300.405	1.217	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H](Oc1ccccc1C#N)C(C)C	491142687	VRNGVHFWKHGSID-CYBMUJFWSA-N	305.334	1.739	50	20	DDGD	
CC[C@H](OC)C(=O)NNC(=O)c1cccc(OC(F)F)c1	728486300	UQTARHXIHRPJCQ-JTQLQIEISA-N	302.277	1.474	50	20	DDGD	
O=C(NC[C@@H]1C[C@H]1C1CCC1)NNc1nc2ccccn2n1	824724551	DJIFCYNLPVTZME-RYUDHWBXSA-N	300.366	1.792	50	20	DDGD	
CN(C)c1ncc(/C=C(/C#N)c2nnc3n2CCCCC3)n1C	821027956	NLIMDYLQUDMBIT-XFXZXTDPSA-N	311.393	1.868	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(Cl)ncc1Br	495949411	XLVJECFDVOCZRA-UHFFFAOYSA-N	322.546	1.888	50	20	DDGD	
O=C(NCB(O)O)c1cc(-c2ccncc2)nc2ccccc12	585060442	RJBHPJPUYGPPKG-UHFFFAOYSA-N	307.118	1.039	50	20	DDGD	
CCCONC(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	828318522	QQTNEQDTJZPNGZ-VIFPVBQESA-N	315.757	1.779	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cc(C(=O)O)ccc1N(C)C	901259287	QKZMHFGNZNKBHU-GWCFXTLKSA-N	319.361	1.326	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl	823951665	MFQVEVFUMGJUHY-QMMMGPOBSA-N	301.730	1.135	50	20	DDGD	
CN(CC(=O)NNc1nc2ccccn2n1)C(=O)OC(C)(C)C	496046844	VTILMMSMYMALNS-UHFFFAOYSA-N	320.353	1.039	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC(C(=O)NN=Cc2cnc[nH]2)CC1	494057367	CFJSWLKJHJVRJX-UHFFFAOYSA-N	321.381	1.507	50	20	DDGD	
Cc1cccc(NNC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1	824221820	WWRAZAOLGKPCPF-OKILXGFUSA-N	313.357	1.389	50	20	DDGD	
CCN(CC)Cc1ccc(NCc2ccc(B(O)O)o2)cc1	585037417	WVZKQQBSBLFHDS-UHFFFAOYSA-N	302.183	1.413	50	20	DDGD	
CCCOc1ccc2c(c1)C(=NNC(=O)c1ncon1)CCO2	901286579	USDWKIVVMYJAHP-UHFFFAOYSA-N	316.317	1.775	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)COc2ccccc2O)cc1	730780580	ZAPFHPHDLZUMSS-UHFFFAOYSA-N	314.341	1.470	50	20	DDGD	
CO[C@H](CNC(=O)[C@@]1(C)C[C@H]1Br)C(F)(F)F	906691504	ILIJELGSQKQXOD-JKMUOGBPSA-N	304.106	1.853	50	20	DDGD	
CC(C)(C)OC(=O)N1[C@H](C=NNC(=O)C2CC2)COC1(C)C	496236842	MKPILMJZJALKHA-LLVKDONJSA-N	311.382	1.870	50	20	DDGD	
O=C(NN=Cc1cnn(CC2CCC2)c1)c1ccc(O)c(O)c1	901234956	BRSJOBHUYJJTBY-UHFFFAOYSA-N	314.345	1.858	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccn1)[C@@H]1C[C@@]12CCOC2	832968896	QQHISMXNRXZAKR-JOYOIKCWSA-N	301.268	1.970	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)N1Cc2ccc(C(=O)O)cc2C1	736428604	LZNRIPQDBMYAII-UHFFFAOYSA-N	319.361	1.877	50	20	DDGD	
Cc1ccc([C@@H]2OCCC[C@H]2NCc2ccc(B(O)O)o2)cc1	585025931	GSYNDIZIYVZLHY-WBVHZDCISA-N	315.178	1.278	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H](C)OCC2CC2)ccc1F	837038457	UHJQBHNDYHFJOQ-SECBINFHSA-N	310.325	1.871	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C1=CC[C@H](C)CC1	838344386	CUANRNOJRBSQTR-NWDGAFQWSA-N	310.394	1.858	50	20	DDGD	
C[C@@H]1C[C@@H]1[C@H](NC(=O)c1ccc(B(O)O)cc1)c1ccccc1	584951265	MNRUPIYXEVEORM-OAUYIBNBSA-N	309.174	1.494	50	20	DDGD	
C[C@H](N)C[C@H](C)NC(=O)NNc1ccc2c(=O)[nH]ccc2c1	831217918	ODTFZWYIZQDLES-UWVGGRQHSA-N	303.366	1.280	50	20	DDGD	
C[C@H]1CC[C@@](C)(C(=O)NNc2ccc(C(N)=O)nn2)C1(C)C	839701876	SWZZKIJBAQIJQX-VFZGTOFNSA-N	305.382	1.481	50	20	DDGD	
COc1ccc(C)cc1[C@H](C)NCc1ccc(B(O)O)cc1F	585013946	CSYCGZOKYVSROP-LBPRGKRZSA-N	317.169	1.673	50	20	DDGD	
CC(C)[C@@H](NCc1ccc(B(O)O)cc1)c1nc2ccccc2[nH]1	585032384	GWQUIUAZQFSJFH-QGZVFWFLSA-N	323.205	1.730	50	20	DDGD	
OB(O)c1cccc(CNC[C@@H]2CCCN2C2CCCCC2)c1	585039161	OKVNIKQBQABHMX-SFHVURJKSA-N	316.254	1.253	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CCCCO2)n(C(C)(C)C)n1	836311069	LFXNJONDDUMWLF-NSHDSACASA-N	323.397	1.668	50	20	DDGD	
COc1ncc(C(=O)NNc2nccc3sccc23)cn1	734250065	OHSGHZNOGASWCO-UHFFFAOYSA-N	301.331	1.852	50	20	DDGD	
CCOCC(=O)NN=Cc1cc(C)c(OCC(=O)OC)c(C)c1	731152627	MZIOKQXESPJYES-UHFFFAOYSA-N	322.361	1.342	50	20	DDGD	
COc1ccnc(C(=O)NNC(=O)Cc2ccccc2OC)c1	734771624	UCWRCCCERUSZSQ-UHFFFAOYSA-N	315.329	1.103	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccccc1NCc1ccco1	910140553	JTRVLISBWUQVAR-GFCCVEGCSA-N	303.362	1.849	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1ccc(O)cc1F	740763060	VYJYYVXBDJOLPL-UHFFFAOYSA-N	309.341	1.676	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCCc2cc(OC)ccc21	748256491	BODXHBCJQMFHSP-LBPRGKRZSA-N	320.389	1.903	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1nnc(O)c2ccccc12	916091526	BHSNRTLQBYNZCK-UHFFFAOYSA-N	314.223	1.049	50	20	DDGD	
CN(CCO)CCP(=O)(c1ccccc1)c1ccccc1	917115778	UUMUZNPOVIIVIX-UHFFFAOYSA-N	303.342	1.925	50	20	DDGD	
CSC[C@@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	744996461	JVNZKNHDHQQHGT-LLVKDONJSA-N	324.402	1.298	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@H]1CC12CCCC2	747512154	LENUCQQMIHBJOR-GFCCVEGCSA-N	317.389	1.835	50	20	DDGD	
CC(C)OC(=O)CCNC(=O)NNc1ccc(Cl)nc1	745387304	KWIGILOIHTUXIZ-UHFFFAOYSA-N	300.746	1.703	50	20	DDGD	
COC(=O)[C@@]1(C)CCCN(C(=O)NCCSSC)C1	840368860	QKCGVKBTSKFAHD-LBPRGKRZSA-N	306.453	1.982	50	20	DDGD	
CCC(CC)(C(=O)NN(C)C(=O)OC)C(=O)OC(C)(C)C	846123165	UEERQFRTHQBVHC-UHFFFAOYSA-N	302.371	1.864	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NN=Cc2ncnn2C)c1C	842520571	MAAJPVAGNNWDQF-LBPRGKRZSA-N	301.350	1.350	50	20	DDGD	
CC(=NNC(=O)c1ccc(-n2cnnn2)cc1)c1cccc(O)c1	916351829	LVHWWJZAYGAWHV-UHFFFAOYSA-N	322.328	1.522	50	20	DDGD	
CO[C@@]1(C=NNC(=O)Cn2ccc3ccccc32)CCOC1	841624452	UOAASEWBXSPOLP-MRXNPFEDSA-N	301.346	1.549	50	20	DDGD	
NC(=O)NN=Cc1cnn(-c2ccc(Br)cc2)c1	917530554	MUQJQIQCXKTTGR-UHFFFAOYSA-N	308.139	1.637	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)[C@@H]1CCO[C@@H]1C)OCO2	842550997	BBXIVFCIPAQWFZ-MWLCHTKSSA-N	306.318	1.299	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@H]2CCC(=O)C2)cc1C	843891648	VTNGJGFOOXAQHI-NSHDSACASA-N	304.346	1.984	50	20	DDGD	
CCOC(=O)NNC(=O)C[C@@H](C)n1cc(Br)cn1	843751125	YWIGZUJUFGKKNL-SSDOTTSWSA-N	319.159	1.374	50	20	DDGD	
COc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843662560	UCHFWYDXZLAHGW-AUZPSNTRSA-N	318.373	1.371	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(F)c(C(F)(F)F)c(F)c1	910151579	CVGHVTPUZJOWCO-LURJTMIESA-N	312.238	1.941	50	20	DDGD	
Cc1nc2scc(C)n2c1C=NNC(=O)[C@@H]1CCO[C@H]1C	842553032	DEKOQMZFLWJIIM-WDEREUQCSA-N	306.391	1.888	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H](c1ccccc1)n1cccn1	748724944	YTWIGYZVIPCFRP-ZDUSSCGKSA-N	301.350	1.213	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2ccc(C(N)=O)cc2)n1	915956887	GKKJJLOTFRFKAX-UHFFFAOYSA-N	302.359	1.243	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCO[C@H](c2ccccc2)O1)C1CCCC1	847336911	NENLIVOFCLVSSJ-YOEHRIQHSA-N	318.373	1.828	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)O)C1(C)C	848596381	SEEHJMOXIRALQA-GARJFASQSA-N	313.398	1.498	50	20	DDGD	
Cc1ccc(CCCC(=O)NNC(=O)CN2CCCC2=O)s1	913731405	HFCFEAHXMHEIET-UHFFFAOYSA-N	323.418	1.149	50	20	DDGD	
Cc1nc(C=NNC(=O)[C@H](C)CN2C[C@H](C)O[C@@H](C)C2)cs1	916372231	PEVDGLMHXUDYOC-WOPDTQHZSA-N	324.450	1.647	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1CCN(C2CCCCC2)C1	749356856	KALRXIUBLWHMFC-CYBMUJFWSA-N	310.442	1.772	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1cccnc1)c1ccc(Cl)cc1F	747514807	ITIRNNORFQRMSV-GFCCVEGCSA-N	323.711	1.369	50	20	DDGD	
Cc1nc(-c2ccc(C(=O)NNC(=O)c3ccc[nH]3)cc2)n[nH]1	746103253	MJHGSFXXODUDOX-UHFFFAOYSA-N	310.317	1.183	50	20	DDGD	
O=C(NCc1ccco1)NN=Cc1cnc(N2CCCC2)nc1	920828790	FOBLEOWPYHSZSI-UHFFFAOYSA-N	314.349	1.503	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NC[C@@H]1CCC[C@H]1C1CC1	840394363	FWQSCGGYGBISLN-GJZGRUSLSA-N	316.405	1.781	50	20	DDGD	
CNc1snc(C)c1C(=O)NNc1ccnc(N(C)C)n1	740108207	UMGKZRXMIWMOEV-UHFFFAOYSA-N	307.383	1.106	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1	929241915	GYXWSQHOIDZGRO-RYUDHWBXSA-N	320.374	1.380	50	20	DDGD	
CCOCCNC(=O)NNc1ncnc(Cl)c1C(C)C	840251161	ZDJFHBDAKRCCIX-UHFFFAOYSA-N	301.778	1.916	50	20	DDGD	
C#CC[C@H](NC(=O)NNC(=O)c1cnn(C)c1)c1ccccc1	757059962	ZJXRHJPCFRSYGS-AWEZNQCLSA-N	311.345	1.129	50	20	DDGD	
C#CCOc1ccc(C=NNC(=O)Cn2nc(C)cc2C)cc1	920985761	VUVGSDDQFUIWAJ-UHFFFAOYSA-N	310.357	1.662	50	20	DDGD	
CC[C@@H](C)[C@H](CNC(=O)NNC(=O)c1cccc(F)n1)OC	852365305	SNRJWGGOACQJGM-KOLCDFICSA-N	312.345	1.226	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1F	853825045	CNOOYSQAKKWEDF-NSHDSACASA-N	306.341	1.524	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(-c2cccc(F)c2)no1	921038419	ZNFAVEHNRDAFGN-UHFFFAOYSA-N	306.297	1.835	50	20	DDGD	
CCO[C@H](C)c1ncc(C(=O)NN(C)C(=S)NC)s1	854924693	NXAONCJNVFLUAO-SSDOTTSWSA-N	302.425	1.322	50	20	DDGD	
CO[C@H]1CCC[C@@H](CC(=O)NNC(=O)OCC(F)(F)F)C1	856020505	JZAUEJTXQGHBIB-BDAKNGLRSA-N	312.288	1.901	50	20	DDGD	
CC(C)(C)OCCCNC(=O)NNc1ccc(Cl)nn1	852553101	LXDHVMFCSNSSOG-UHFFFAOYSA-N	301.778	1.961	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@]2(C3CCCC3)CCNC2=O)n1	858264745	NDBYZTWLWAQSAX-INIZCTEOSA-N	317.393	1.233	50	20	DDGD	
COCCn1nc(C(=O)NNc2ccc(C)c(F)c2)ccc1=O	856231255	ULGGTIMGBUSTHK-UHFFFAOYSA-N	320.324	1.094	50	20	DDGD	
CC(C)O[C@@H]1CCCN(C(=O)NNC(=O)c2cccc(F)n2)C1	852713729	XRKDBTUQBOLHDN-LLVKDONJSA-N	324.356	1.465	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@H]2C=NNC(=O)c2cc(C)[nH]n2)cn1	853321254	MGBHLHHUANZNIB-SMDDNHRTSA-N	316.365	1.428	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@@H](C)OCC(C)C	920805907	VHTDZHZERKSESN-GFCCVEGCSA-N	323.393	1.316	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCC[C@@H]1CCOC1=O	754541005	MFDGJDFBSLIBOC-VWLVURMCSA-N	301.298	1.796	50	20	DDGD	
CO[C@@H]1C[C@@H](NC(=O)NNC(=O)Cc2ccc(F)cc2)C1(C)C	753424470	DKRFDQOKTORXJT-CHWSQXEVSA-N	323.368	1.512	50	20	DDGD	
COC(=O)c1ccc(C(=O)NC[C@]2(C)C[C@@H]2Br)[nH]1	857388468	SONJHDMTDKELME-CABZTGNLSA-N	315.167	1.705	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](N(C)c2ccccc2)C1	852655548	YDDFCHUGXZSDQY-DZGCQCFKSA-N	318.421	1.143	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1cc[nH]n1	855359238	KULMMXHFUFFSCT-YUMQZZPRSA-N	304.272	1.539	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCC(C)(C)N1CCOCC1	853233305	PAJOMDZHSRZXLR-UHFFFAOYSA-N	324.400	1.871	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F	755194475	UZAJWEUZYNCSFN-MRVPVSSYSA-N	312.301	1.576	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=Cc1nc(Cl)cs1	758120395	ZZSKHEQWHSCLGP-UHFFFAOYSA-N	323.765	1.072	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCc2nc(C)cs2)c1	858108173	WCMOKRMOGLKZCG-UHFFFAOYSA-N	310.404	1.966	50	20	DDGD	
CC(C)NC(=O)Nc1ccccc1C(=O)NNc1ccncn1	857519997	KCTHKTQHBCKBNG-UHFFFAOYSA-N	314.349	1.763	50	20	DDGD	
CCCn1nccc1C(=O)NNC(=O)c1cccc(N(C)C)c1	854263812	PHJINTXIDGTXMT-UHFFFAOYSA-N	315.377	1.434	50	20	DDGD	
O=C(NNC(=O)N1CCOc2ccccc2C1)C1CCCC1	753343315	HQCZKPQXIXNSNE-UHFFFAOYSA-N	303.362	1.812	50	20	DDGD	
CCc1nn(C)cc1NC(=O)NNC(=O)CCc1ccccc1	757896636	SYCOSKZFAYISCE-UHFFFAOYSA-N	315.377	1.768	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=Cc1ccc(CO)o1	853408922	BUHLZJUYIGZEIH-UHFFFAOYSA-N	309.366	1.165	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(OCC(F)(F)F)cn1	854919769	FEIOLEOEZKMDHA-UHFFFAOYSA-N	322.312	1.104	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@](C)(O)C2CC2)c1C	854186615	PWVTVDKWBUJJLF-HNNXBMFYSA-N	307.419	1.782	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(C3CC3)nn2C)n1	933984663	BXDXHFNSXJXDRE-UHFFFAOYSA-N	302.338	1.161	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CSCCc2ccccc21	759205445	NRMLPLBLVXLNBS-LBPRGKRZSA-N	322.430	1.848	50	20	DDGD	
COCC(=O)NNC(=O)Nc1c(C(C)C)nc2ccccn12	933759393	INOMDQPJHWVIFF-UHFFFAOYSA-N	305.338	1.257	50	20	DDGD	
NC(=O)[C@H]1CCC[C@@H](C(=O)NNCC(F)(F)C(F)(F)F)C1	863100521	WRPDNLZUCCNFFR-NKWVEPMBSA-N	317.258	1.097	50	20	DDGD	
OB(O)c1ccc(CNc2ccc(N3CCCC3)c(F)c2)cc1	863890662	PNBZJJCVNOEVGO-UHFFFAOYSA-N	314.169	1.718	50	20	DDGD	
CC(=O)N1CCc2c(NC(=O)NNC(=O)CC3CC3)cccc21	769249755	IBKUBUKFPKNJTP-UHFFFAOYSA-N	316.361	1.548	50	20	DDGD	
C[C@H](NNC(=O)c1ccc(C(N)=O)c(Cl)n1)C(F)(F)F	862319439	FDEDQHKKJZTEJG-BYPYZUCNSA-N	310.663	1.019	50	20	DDGD	
Cc1c(Br)cncc1NC(=O)NNC(=O)C(C)C	934261092	SRSJGSHVELEUSN-UHFFFAOYSA-N	315.171	1.961	50	20	DDGD	
CCO[C@H](C(=O)NNc1ccc(F)c(C(=O)OC)c1)C1CC1	861924645	LXAXWAYFDMPNMW-ZDUSSCGKSA-N	310.325	1.871	50	20	DDGD	
COc1ccc([C@H]2COCCN2S(=O)(=O)CCl)cc1	867884797	ZGDXCSWGTURSLW-GFCCVEGCSA-N	305.783	1.595	50	20	DDGD	
COc1ccnc(NNC(=O)c2ncsc2C(F)(F)F)n1	764215057	CUGCDBQQPFVFDV-UHFFFAOYSA-N	319.268	1.717	50	20	DDGD	
COc1cc(Cl)ccc1C(C)=NNC(=O)CS(C)(=O)=O	863183962	QPDVOJZKRATNPI-UHFFFAOYSA-N	318.782	1.233	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNc1nc(O)c2ccccc2n1	760371759	CKLHVEDPBCXFHW-UHFFFAOYSA-N	324.344	1.753	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)c(C)s1	760240170	UIUJQKIQTLOBMU-JTQLQIEISA-N	300.405	1.250	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1cnn(CC(N)=O)c1	767033750	DOQWVZVQWLUXHC-VIFPVBQESA-N	317.187	1.117	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NNc1cncc(Br)c1	1116395513	MQOKXMOXYIUNJL-NXEZZACHSA-N	300.156	1.712	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc(C#N)cc(N(C)C)c1	1117738636	HEJJTTUSKFYFQI-UHFFFAOYSA-N	305.407	1.142	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@H]1CCO[C@@]2(CCSC2)C1	768526973	RJDWZZFREDOUFA-HZMBPMFUSA-N	315.439	1.418	50	20	DDGD	
CC[C@H](C(=O)NNC(=S)Nc1cc(C)ccc1C)N(C)C	873755109	DPSPXJNGAIAJAY-CYBMUJFWSA-N	308.451	1.961	50	20	DDGD	
CC(=O)Nc1ccccc1CC(=O)NNc1ncc(F)cn1	768121825	RAFKFSRYTPRKDL-UHFFFAOYSA-N	303.297	1.260	50	20	DDGD	
Cc1cccc(NNC(=O)NC2CCN(CC3CC3)CC2)n1	875120218	VBTQAALEBQPPLP-UHFFFAOYSA-N	303.410	1.891	50	20	DDGD	
CN(CC(=O)NNc1nc(-c2cccnc2)no1)CC(C)(C)C	874451807	CUJDNGAMRSURAT-UHFFFAOYSA-N	318.381	1.553	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccc(N2CCCCC2)nc1	875059824	DLTWSKPIURTABX-UHFFFAOYSA-N	321.381	1.484	50	20	DDGD	
CCC(=NNC(=O)NCC(=O)OC)c1ccc(N(C)C)cc1	779822674	GURWLTYGPCHKPV-UHFFFAOYSA-N	306.366	1.339	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCc3c(Cl)cccc32)n[nH]1	775790928	KYSNIBJJBYKGJR-NSHDSACASA-N	318.764	1.863	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)C(C)(C)CO)cc1	874953186	WARCSPKWIFYJLV-UHFFFAOYSA-N	310.423	1.089	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNC(=O)c1ccc(OC)cc1	1117931560	GFMJWQHZTPPKJF-GFCCVEGCSA-N	308.334	1.046	50	20	DDGD	
COC[C@@H](C)C(C)=NNC(=O)c1nn(-c2ccccc2)cc1O	777877035	IUHMOBSMAKWPEM-LLVKDONJSA-N	316.361	1.966	50	20	DDGD	
O=C(NNc1c(F)cccc1Cl)C1CCS(=O)(=O)CC1	770197850	VQCAPBWOKXCGFC-UHFFFAOYSA-N	320.773	1.747	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc2cc(C)ccc2o1	772042998	PPCSCUYYODSEJX-SNVBAGLBSA-N	318.329	1.844	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCCS1	772295393	FOZURUNTHGTJFX-MNOVXSKESA-N	316.423	1.397	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@H]1CCO[C@H](C)C1	776305335	GLCAPMXQHCOVJF-YPMHNXCESA-N	306.362	1.200	50	20	DDGD	
Cc1cc(C)c(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)o1	772169383	XDDYVORTIRBSRV-NSHDSACASA-N	310.350	1.635	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(N(C)C(=O)NC)cc1	887272390	MQXYVFOESHUETD-KHPPLWFESA-N	302.334	1.845	50	20	DDGD	
N#CC1=CCN(CC(=O)NC[C@H]2COc3ccccc3O2)CC1	779586453	WBUJXDGBEZCYBY-AWEZNQCLSA-N	313.357	1.098	50	20	DDGD	
O=C(NNc1ccc(F)cc1Cl)[C@H]1CC(=O)N(C2CC2)C1	885135931	PLJPSOVZUQAWOL-QMMMGPOBSA-N	311.744	1.933	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)C1(C(=O)NC2CC2)CCC1	778448854	QUCUCYQQPGMMRX-UHFFFAOYSA-N	308.769	1.627	50	20	DDGD	
C=CCOc1cccnc1C(=O)NNC(=O)Cc1cccnc1	775484208	PDHLXGOOVSVOKH-UHFFFAOYSA-N	312.329	1.045	50	20	DDGD	
CCS[C@H]1CCC[C@H](NC(=O)NNC(=O)c2cccnn2)C1	883493495	MRTQEXYYAXAZBM-QWRGUYRKSA-N	323.422	1.485	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1ccc(Cl)nc1F	882679431	YNNWRJOZWRIRFP-UHFFFAOYSA-N	309.750	1.230	50	20	DDGD	
OCCCc1cn([C@]2(Cl)C[C@H]2CCBr)nn1	881383976	YHATWZPXKQTTLJ-PSASIEDQSA-N	308.607	1.900	50	20	DDGD	
N#Cc1ccc(NNC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)nc1	888665916	IUWSEJHSWRWRQK-BNOWGMLFSA-N	313.361	1.537	50	20	DDGD	
CC[C@H](C)CCCCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1	783800551	VDAUQFVVXRKIRF-RYUDHWBXSA-N	318.439	1.175	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1ccc(-c2ncon2)cc1	784794224	JJMQUVMIASFEAQ-UHFFFAOYSA-N	324.300	1.213	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNC(=O)c2cc3ccccc3o2)n1	782000199	AZUCNRBEUWBZFJ-UHFFFAOYSA-N	324.296	1.002	50	20	DDGD	
COc1ccc(NNC(=O)c2cc([C@H]3CCCN3C)[nH]n2)cc1	896157531	QKEXOFRUGLNDMA-OAHLLOKOSA-N	315.377	1.942	50	20	DDGD	
Cn1nc(Br)cc1C=NNC(=O)NC1CCCC1	782215881	XDSDYLSBPHNIJZ-UHFFFAOYSA-N	314.187	1.758	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)c1ccccc1OC)c1ccsc1	788399090	CWJVPNBKDFXGSU-ZDUSSCGKSA-N	320.370	1.905	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C1CCC2(CCCO2)CC1	788020444	NEIYLCSUUNHADY-UHFFFAOYSA-N	319.361	1.605	50	20	DDGD	
CC(C)Cn1ccc(C(=O)NNC(=O)c2ccc(C#N)cc2)n1	895983438	UJWCVYMZMSSBFI-UHFFFAOYSA-N	311.345	1.486	50	20	DDGD	
O=S(=O)(CBr)N1CCc2c(F)cccc2C1	272763020	CTDMCXYNWOAXTJ-UHFFFAOYSA-N	308.172	1.866	50	20	DDGD	
C[C@@H]1CC[C@@H](CNC(=O)NNC(=O)COCc2ccccc2)C1	792954966	ROXKWVTYWKOAHD-UKRRQHHQSA-N	319.405	1.970	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53)c1ccccc1	792775343	KNGBEEQHYZRAQJ-PJAFBEMQSA-N	308.381	1.842	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=Cc1cc(Cl)cc(F)c1O	794456005	GVZCRXJBHHFYTR-UHFFFAOYSA-O	308.720	1.623	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cccc(O)c1O	790573162	METFAIVQFDZUHM-UHFFFAOYSA-N	316.313	1.110	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2	792781389	YXEKBQYKQJOCNY-RWMBFGLXSA-N	312.373	1.620	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ncccc1C(F)(F)F	798304492	WEPXCESAOWUCGO-UHFFFAOYSA-N	304.297	1.395	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccnc(C)c2)c(C)c1	790495312	NZRGGVAUHUEGPX-UHFFFAOYSA-N	312.373	1.880	50	20	DDGD	
C[S@@](=O)c1ccc(CC(=O)NNc2ccc(C#N)cc2)cc1	797947982	ZZSXBZUXDDBCEU-JOCHJYFZSA-N	313.382	1.981	50	20	DDGD	
O=S(=O)(CBr)N1CCC(n2cccn2)CC1	782425832	WDWGEFVWFPNOQA-UHFFFAOYSA-N	308.201	1.202	50	20	DDGD	
Nc1cnnc(NNC(=O)NCCc2ccc(O)cc2)c1Cl	1319224072	JVEAGAOTUDMKPF-UHFFFAOYSA-N	322.756	1.287	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccc(NC(=O)OC(C)(C)C)nc1	1319060578	GNIZIPXMSURARR-UHFFFAOYSA-N	322.321	1.052	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1ccc(OCC#N)cc1	1323810540	CGZVLQPOLIJDHD-UHFFFAOYSA-N	313.317	1.394	50	20	DDGD	
CN(C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br)C1CCC1	1329557031	KKYXNJJFGKAGSW-CABZTGNLSA-N	303.200	1.287	50	20	DDGD	
O=C(NNc1ncc(F)cn1)C(=O)Nc1cccc2[nH]ccc12	1320597386	POBAEEPIDIELAV-UHFFFAOYSA-N	314.280	1.179	50	20	DDGD	
CC(C)(C)OC(=O)CCCC(=O)NNC(=O)Cc1cccnc1	1329523883	PXJAEFOKDNSKEP-UHFFFAOYSA-N	321.377	1.284	50	20	DDGD	
CN1CCN(CCOc2ccc(NC(=O)CCl)cc2)CC1	1320465811	MZCNIYZOWITGKB-UHFFFAOYSA-N	311.813	1.490	50	20	DDGD	
Cn1ccc2c(NC(=O)C(=O)NNc3cccnn3)cccc21	1320579738	JGFUYDZEXMWUDW-UHFFFAOYSA-N	310.317	1.050	50	20	DDGD	
CC(C)(C=NNC(=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O	1253641617	TVNSRUNJXHECGR-UHFFFAOYSA-N	321.402	1.636	50	20	DDGD	
C=C[C@@H](COC)NC(=O)NNC(=O)c1cc2ccccc2o1	1256155724	IVIFQOOQDHZBNQ-NSHDSACASA-N	303.318	1.578	50	20	DDGD	
O=C(c1cccc(CCl)c1)N1CCN([C@H]2CCOC2)CC1	1335931670	XRBRWJHCQCLHKE-HNNXBMFYSA-N	308.809	1.972	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@]2(OC)CCSC2)c1	1334440665	MMKMCSZBTZZKNU-CQSZACIVSA-N	310.375	1.438	50	20	DDGD	
Cc1ncc([C@H](C)NC(=O)/C(C#N)=C\c2cnn(C)c2)s1	1330631839	PTTVXFJACWGDSK-XXMVTMBHSA-N	301.375	1.969	50	20	DDGD	
COc1ccc2c(c1)CC[C@@H](C(=O)NNC(=S)NC(C)C)C2	1331921522	WLFJFHDDGMCCOY-CYBMUJFWSA-N	321.446	1.704	50	20	DDGD	
Cc1c(C(F)(F)F)n[nH]c1C(=O)NN[C@@H](C)C(F)(F)F	1336568636	DEUSNBDBJZYHNB-BYPYZUCNSA-N	304.194	1.922	50	20	DDGD	
CN(C)Cc1cc(C(=O)NC[C@@]2(C)C[C@H]2Br)no1	1331153492	UACRRSKIAIHZMK-ZYHUDNBSSA-N	316.199	1.640	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2cccnn2)c2cccnc12	1343341643	VEPYRUMGOOLLEK-UHFFFAOYSA-N	322.328	1.415	50	20	DDGD	
Cc1cnn(CC2CC2)c1NC(=O)C(=O)NNc1ccccn1	1342244313	DQUWOWYOWKYZPE-UHFFFAOYSA-N	314.349	1.078	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NC/C=C\C2CC2)cc1	1348062932	XUMMJRNCDUFGPE-IHWYPQMZSA-N	304.350	1.997	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ncc(Cl)cc1Cl	1353726309	KEYRLOUXDGDUGP-XPUUQOCRSA-N	318.160	1.574	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1cc(C2CC2)no1	1352253535	LIBGNEJNHMGGJR-UHFFFAOYSA-N	303.347	1.578	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CCCC23OCCO3)cc1C(=O)O	1600462649	MHBZKCMOUCRMAG-CYBMUJFWSA-N	320.345	1.680	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(CCC(=O)O)Cc1ccccc1	1605617303	ZGGIKYXCRHLQKW-WYMLVPIESA-N	302.330	1.934	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@H](CC(C)(C)C)C(=O)O)cn1	1600944987	CXILVVMRMUAFMQ-DKRCXCIFSA-N	304.350	1.333	50	20	DDGD	
O=C(NN=C1CCCn2nc(C(=O)O)cc21)NC1CCCC1	1608478475	YYVSHGUYEIBSDH-UHFFFAOYSA-N	305.338	1.321	50	20	DDGD	
CCc1oc(C=NNC(=O)Cn2nc(C)cc2C)cc1C(=O)O	1605889168	GFPFUMPEQKAULR-UHFFFAOYSA-N	318.333	1.504	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1ocnc1C(F)(F)F	1606529137	ZPVQBVZRXCCLHA-UHFFFAOYSA-N	316.195	1.544	50	20	DDGD	
CC[C@@H](C)[C@@H](NNC(=O)COc1ccccc1OC)C(=O)O	1604943588	GSYGXOHBEHDFIQ-QMTHXVAHSA-N	310.350	1.194	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1cc(-c2nn[nH]n2)ccc1Cl	1606861914	LXKKGCOKALCPEG-UHFFFAOYSA-N	315.724	1.094	50	20	DDGD	
O=C(NN=C1CC(CF)(CF)C1)[C@H]1CN2CCC[C@H]2CO1	1549311746	BWLLYIAGOPLGJW-NWDGAFQWSA-N	301.337	1.041	50	20	DDGD	
COc1ccc(C=NNC(=O)NCC(=O)O)cc1OCC(C)C	1610329117	XLZGTAJGQDLTNE-UHFFFAOYSA-N	323.349	1.448	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C=NNC(=O)[C@@H]1CCCO1	1552453663	QAQFGSRIKUSGSV-RWMBFGLXSA-N	306.366	1.169	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)[C@]34CNC[C@@H]3C4)cc2C1	1576760688	UEKSEIAJDZYYEG-KJRLAJNESA-N	319.430	1.243	50	20	DDGD	
CCCCc1ccc(NC(=S)NNC(=O)COCCN)cc1	1577475299	CLGIJMCLYGUEJP-UHFFFAOYSA-N	324.450	1.322	50	20	DDGD	
CCC(CC)(C(=O)NNC(=O)[C@H]1CCN1)c1ccc(Cl)cc1	1577043779	KPGLLHFYCASKNK-CYBMUJFWSA-N	323.824	1.907	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]c1=S)[C@@H]1CC12CNC2	1580742958	LFWHCRIFMFLZCN-QMMMGPOBSA-N	301.375	1.345	50	20	DDGD	
N[C@@H]1CCCC[C@@H]1C(=O)NNC(=O)c1c[nH]c2ccccc12	1580371232	QMRTUJNCCJFNSA-WCQYABFASA-N	300.362	1.446	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@H]1CCCc2n[nH]cc21	1595262051	OVZVGEXCCOVRAF-QMMMGPOBSA-N	301.306	1.066	50	20	DDGD	
CCCC[C@H](O)CCC(=O)NNc1ccc(-c2nn[nH]n2)cc1	1590582058	MCIPOWRZCNBFJC-ZDUSSCGKSA-N	318.381	1.641	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)ccc1C(=O)NN[C@H](C)C(F)(F)F	1591863010	HKNXCGGMXMHABN-SSDOTTSWSA-N	314.271	1.360	50	20	DDGD	
COC(=O)c1sccc1C(=O)NNc1ncccc1C(=O)O	1593899040	ZRUVLVODLIEVAO-UHFFFAOYSA-N	321.314	1.385	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cc(C(=O)O)cs1	1594643045	CAYPAGSYGZTYAX-XPUUQOCRSA-N	313.335	1.024	50	20	DDGD	
C[C@H](Cn1ccnc1)NC(=O)NNc1ccc(CC(=O)O)cc1	1592929974	GGZQSMZMFBWGQL-LLVKDONJSA-N	317.349	1.225	50	20	DDGD	
CNCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Cl)C2	1796040209	XNZGTKJCSJSLJG-NOHGZBONSA-N	319.808	1.159	50	20	DDGD	
CC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)CN	1795957804	DIAGKSJWIWIZQY-IEECTRCBSA-N	315.845	1.237	50	20	DDGD	
O=C(C[C@H](C(=O)O)c1ccccc1)NNC(=O)c1ccccc1	13255541	WXXIAMIFRMGCQX-AWEZNQCLSA-N	312.325	1.706	50	20	DDGD	
O=C(NNS(=O)(=O)c1cc(F)cc(F)c1)c1ccccc1	16123691	WJRGOJHHEXBPCU-UHFFFAOYSA-N	312.297	1.588	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=S)Nc1ccccn1	161766628	PUSRPJBVBNZGME-UHFFFAOYSA-N	304.350	1.781	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cn1	158020041	MIYWDRWXDHPRMN-UHFFFAOYSA-N	323.696	1.057	50	20	DDGD	
CNC(=O)NNC(=O)c1cnn(-c2cc(C)ccc2C)c1C	151231524	PAWQKPAQCWJQRS-UHFFFAOYSA-N	301.350	1.371	50	20	DDGD	
COc1ccc2c(c1)C=C(C(=O)NNC(=O)c1ccc[nH]1)CO2	151547676	JBXTXDCKOAENES-UHFFFAOYSA-N	313.313	1.260	50	20	DDGD	
O=C(NCC1CCCCCCC1)NNC(=O)C(=O)N1CCCC1	155108962	YWSVMNZRQOSGAV-UHFFFAOYSA-N	324.425	1.300	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCN(c2cccs2)CC1	154946113	HCIQWHSKOJHYIQ-UHFFFAOYSA-N	310.423	1.657	50	20	DDGD	
COCCn1ccc(NC(=O)NNc2ccc(C#N)cc2)n1	159106952	UAPUEQBLDMDAFX-UHFFFAOYSA-N	300.322	1.550	50	20	DDGD	
CC[C@@H](CNS(=O)(=O)CCl)NC(=O)OC(C)(C)C	831959146	GNGRIGZUCMPJKR-QMMMGPOBSA-N	300.808	1.405	50	20	DDGD	
NC(=O)NC1CCN(C[C@@H](CBr)C2CC2)CC1	859160236	PQIBGQKGAMLZCZ-SNVBAGLBSA-N	304.232	1.540	50	20	DDGD	
COCc1ccc(C(=O)NNC(=O)Cc2ccc(F)cc2)cc1	7524366	FKIFECMXYKJFPL-UHFFFAOYSA-N	316.332	1.976	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1cnn(-c2ccccc2)c1	7909939	MHYXUOABQFRQON-UHFFFAOYSA-N	307.313	1.342	50	20	DDGD	
Cc1ccccc1C(=O)OCC(=O)NNC(=O)c1cccs1	10862092	IFZRLPCEEDAHQH-UHFFFAOYSA-N	318.354	1.675	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC1CCOCC1)c1ccccc1	171835435	BGUNFYNIRKGFLG-CQSZACIVSA-N	305.378	1.690	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)c2ccc(C#N)cc2)cc1	111587136	OAECYBPFADTDLU-UHFFFAOYSA-N	307.309	1.836	50	20	DDGD	
C[C@@H](Oc1cccnc1)C(=O)NNC(=O)c1ccc(Cl)nc1	117758151	PMEWIMPFEXKGOV-SECBINFHSA-N	320.736	1.359	50	20	DDGD	
CCOc1ccc(C(=O)NNc2nc(C)cc(OC)n2)cc1	174477850	IOMCRECVXWZUHW-UHFFFAOYSA-N	302.334	1.949	50	20	DDGD	
Cc1nnc(NNC(=O)c2oc3c(F)cccc3c2C)nc1O	23310810	LQCKNSXECBIUDM-UHFFFAOYSA-N	317.280	1.836	50	20	DDGD	
CN(CCc1cccs1)C(=O)NNC(=O)Cc1cccnc1	176394063	NGIRNGXZVURWPW-UHFFFAOYSA-N	318.402	1.601	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)COc2ccc(C#N)cc2)o1	175720079	DYBYZVSHAPRWOS-UHFFFAOYSA-N	313.313	1.608	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCc1ccc(F)cc1	67454851	SHUAQUIWEYWWSZ-UHFFFAOYSA-N	317.320	1.979	50	20	DDGD	
CCOC(=O)NNC(=O)CCc1nnc(-c2ccsc2)o1	29559835	YBDFXNOULYHQLY-UHFFFAOYSA-N	310.335	1.508	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccc(-n2ccnc2)nc1	178834372	INJQIWWWBQZHCL-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
O=C(NNc1ccccc1Cl)[C@H]1CCc2nnc(O)n2C1	1346937117	ZAGHMYAXHWKEGB-QMMMGPOBSA-N	307.741	1.343	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)Cc2c(C)nn(C)c2C)nc(C)n1	173834940	WOXZJSFTEYRGOU-VIFPVBQESA-N	316.409	1.766	50	20	DDGD	
CCCCNC(=O)NNC(=O)C1=NO[C@H](c2ccccc2)C1	68385048	UGWTWDARINRKSW-ZDUSSCGKSA-N	304.350	1.635	50	20	DDGD	
O=C(NNC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccc(Cl)c1	179156470	LGZLODZRRANGEP-UHFFFAOYSA-N	309.669	1.046	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCC(F)(F)F)c(C)c1	60415089	OTHVTTZMBVXIMJ-UHFFFAOYSA-N	319.283	1.575	50	20	DDGD	
COc1ccc2oc(C)c(C(=O)NNC(=O)NC3CC3)c2c1	64900357	FSWLGVUGIPHNEJ-UHFFFAOYSA-N	303.318	1.856	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cnn(C)c1)c1ccc(Cl)s1	176629303	NWECWKGQUAQZDD-ZETCQYMHSA-N	312.782	1.700	50	20	DDGD	
CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NNC(=O)OCC	66370314	WIVRIQLWSQKJNG-CYBMUJFWSA-N	321.377	1.291	50	20	DDGD	
C[C@H](CCc1cccc(F)c1)C(=O)NNC(=O)N1CCOCC1	172906426	XIOIKOFFBHEYHB-GFCCVEGCSA-N	323.368	1.467	50	20	DDGD	
CC(C)(CO)CCCNC(=O)NNc1cncc(Cl)n1	122623131	JAHGKOUHVGARLS-UHFFFAOYSA-N	301.778	1.555	50	20	DDGD	
COCc1ccccc1CNS(=O)(=O)CBr	126688688	XZAQXSUJDGGWKD-UHFFFAOYSA-N	308.197	1.605	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cn(C)nc1C(F)(F)F	121352734	OCOOUHOALVCYPQ-UHFFFAOYSA-N	307.276	1.183	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)C(C)(C)C1CCCC1	123423893	OPDRORHISHAELT-UHFFFAOYSA-N	311.426	1.655	50	20	DDGD	
CSCC[C@H](C)N(C)[C@H](C)C(=O)NNC(=O)CC(C)C	126457652	OYCHNIRESBAMSU-NWDGAFQWSA-N	303.472	1.642	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCCNC(=O)C(C)(C)C	185309752	DDVABEXYBLJHJK-UHFFFAOYSA-N	310.373	1.923	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCO1)c1cccc(OC(F)F)c1	32262850	NTBLCFQVWSUSHS-SNVBAGLBSA-N	300.261	1.228	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NNC(=O)CC2CCCC2)cc1	183270027	JNBOOSWJUCRWSK-UHFFFAOYSA-N	318.377	1.779	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1	185513772	DUALAUWGWHMEMC-SNVBAGLBSA-N	306.341	1.524	50	20	DDGD	
COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NNc2cccnn2)c1	187876891	PDGGXDMEXULHHM-YPMHNXCESA-N	314.345	1.741	50	20	DDGD	
O=C(C[C@@H]1CCS(=O)(=O)C1)NNc1cccc(Cl)c1	72752291	AROBDGLUDIHCPW-VIFPVBQESA-N	302.783	1.608	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1cn2cccnc2n1	79717705	NCSYZPAPXBXVKD-UHFFFAOYSA-N	320.312	1.285	50	20	DDGD	
CSc1nc(C(=O)NNC(=O)C(C)(C)C)c2ccccn12	130171269	XKLWPESZDUSMJB-UHFFFAOYSA-N	306.391	1.863	50	20	DDGD	
C[C@@H](NC(=O)NNc1cncc(Cl)n1)C(C)(C)CN(C)C	85424750	AVMJEMKBADZPMY-SECBINFHSA-N	314.821	1.732	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC2(N(C)C)CCCC2)o1	84412546	RGDJRFHIECGDSE-UHFFFAOYSA-N	308.382	1.406	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccc(O)cc2)c(O)c1	133328001	KQCMFMCDPQKDKG-UHFFFAOYSA-N	300.314	1.410	50	20	DDGD	
Cc1csc(=O)n1CCC(=O)NNC(=O)CC1CCCC1	195219746	AKJLWYSQEQFEPA-UHFFFAOYSA-N	311.407	1.336	50	20	DDGD	
CC1CCN(CC(=O)NNC(=O)CCc2ccccc2)CC1	135550164	DJIYDRPZBYSHSQ-UHFFFAOYSA-N	303.406	1.499	50	20	DDGD	
CC(=O)NCC1CCN(S(=O)(=O)CCCCCl)CC1	232226374	LBPJFNHSXOOZOO-UHFFFAOYSA-N	310.847	1.183	50	20	DDGD	
CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CCCCC1	252680027	UTEDYBRTXSTOTK-GFCCVEGCSA-N	301.412	1.429	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)CNc1cccc(OC)c1	264031361	SKVBHGJAAHWCEQ-LBPRGKRZSA-N	321.377	1.236	50	20	DDGD	
CC(=O)NNC(=O)c1nn(-c2cccc(C(C)C)c2)cc1O	267863336	SMHNGKBTGRDGGB-UHFFFAOYSA-N	302.334	1.482	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCNC(=O)C(C)(C)C)c1	273034074	UEICVAYVOGAMKH-UHFFFAOYSA-N	321.377	1.469	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2ccccn2)[C@@]12CCCO2	368173857	NPANFSLECMRLDC-ZOWXZIJZSA-N	306.366	1.434	50	20	DDGD	
CS(=O)(=O)CCC(=O)NNc1cc(Cl)cc(Cl)c1	276737082	JOANLKDKOZVOGC-UHFFFAOYSA-N	311.190	1.871	50	20	DDGD	
CCC(=CC(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)CC	273317224	WNLDAOGSAKNLLH-JTQLQIEISA-N	313.398	1.793	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1	274384370	HEIWPUGLGSUVCC-SNVBAGLBSA-N	320.176	1.719	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@@H]2COC3(CCCC3)O2)n1	271517985	GPXVOUMPPILDOT-GFCCVEGCSA-N	321.381	1.405	50	20	DDGD	
CCc1c(C(=O)NNC(=O)OC)cnn1-c1ccccc1OC	274599819	WTPUUJXZDGIJNQ-UHFFFAOYSA-N	318.333	1.444	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@]12CCOC2)Nc1ccc(Cl)cc1	374703639	RUGAOEYOPVAOFU-RISCZKNCSA-N	309.753	1.919	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cn(C3CC3)c(C)cc2=O)o1	287925116	WFOFBJCOPFNBBK-UHFFFAOYSA-N	315.329	1.468	50	20	DDGD	
CCOc1ccccc1OCCCC(=O)NN(C)C(=O)OC	286291118	JHAUGOSRTSUGBA-UHFFFAOYSA-N	310.350	1.974	50	20	DDGD	
CCCCCCNC(=O)NNc1ccc(-n2ccnc2)nn1	286667181	OEYXIOACHSWCQB-UHFFFAOYSA-N	303.370	1.869	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc(C(=O)O)c(C)c1	285180685	RJLYHINPPPSLSU-QMMMGPOBSA-N	314.363	1.049	50	20	DDGD	
CO[C@@]1(C)C[C@H](NC(=O)NNC(=O)c2cccc(C)n2)C1(C)C	280766024	DVMKLTBSJLIIDP-LRDDRELGSA-N	320.393	1.538	50	20	DDGD	
CC(C)(O)CC(=O)NNC(=O)c1cccc(Br)c1	280417047	PEMUAZDVMSWFKR-UHFFFAOYSA-N	315.167	1.371	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H]1CCO[C@@H]1c1ccnn1C(C)C	285072978	ROKWLDBJTQIDCS-PYHCZJRBSA-N	318.377	1.854	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccc2oc(O)nc2c1	805178086	WOIKUFNJBDXYBE-UHFFFAOYSA-N	320.374	1.442	50	20	DDGD	
C[C@H](C(=O)NNC(=O)COc1ccc(C#N)cc1)C(C)(F)F	292708901	OFNMCQYMIGRPGD-SECBINFHSA-N	311.288	1.376	50	20	DDGD	
Cc1[nH]c2ccccc2c1C(=O)NNC(=O)[C@H]1CCCCO1	295257871	AVNVLRHLFIIKSS-CYBMUJFWSA-N	301.346	1.806	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCc1ccc2c(c1)OCCO2	298633200	DDMGMBGKKRFFHI-UHFFFAOYSA-N	321.377	1.377	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)[C@H]1CCCCO1	295613424	QXSKHCQNUYAHBS-MGPQQGTHSA-N	306.337	1.646	50	20	DDGD	
CC(C)S(=O)(=O)CCNC(=O)NNc1cccc(Cl)n1	293432890	SRBXVGIALUAYEQ-UHFFFAOYSA-N	320.802	1.184	50	20	DDGD	
CN1CCC(=O)Nc2cc(C(=O)NCC(Cl)Cl)ccc21	808131155	JCQRXZQFVOXPJH-UHFFFAOYSA-N	316.188	1.999	50	20	DDGD	
Cc1nccn1CCCNC(=O)NNC(=O)c1ccccc1F	299024338	XJKQVHZEOFLXDM-UHFFFAOYSA-N	319.340	1.365	50	20	DDGD	
COc1ccc(OC)c(CCC(=O)NNc2ncncc2F)c1	294598920	MZKHLRHVHWSACC-UHFFFAOYSA-N	320.324	1.709	50	20	DDGD	
CCCN(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1	297736539	CHXUDBOEQSXPLW-UHFFFAOYSA-N	320.349	1.230	50	20	DDGD	
COc1cc(C(=O)NNC(=O)N=c2cc[nH]cc2)ccc1Cl	802028801	HJMZIWGROFILCA-UHFFFAOYSA-N	320.736	1.632	50	20	DDGD	
C[C@H](CBr)CN1CCC[C@@H](c2nc(O)n[nH]2)C1	808777286	JGLIPONJBYDJOD-RKDXNWHRSA-N	303.204	1.721	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)COc1ccc(F)cc1)C1CC1	291937688	BQHDEGMWKXPMID-OAHLLOKOSA-N	310.325	1.167	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)C(F)(F)C(F)F	803438973	NEJPWXSPPWHMNY-UHFFFAOYSA-N	303.215	1.872	50	20	DDGD	
CN(NC(=O)c1ncn(-c2ccccc2)n1)C(=O)OC(C)(C)C	297496329	BBOKESBQBPQTMG-UHFFFAOYSA-N	317.349	1.779	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H]1C[C@H](c2ccccc2)OC1=O	294009101	BFQIFDPLWPBORQ-CHWSQXEVSA-N	302.330	1.238	50	20	DDGD	
C=CCN(CCC#N)CC(=O)NNC(=O)c1ccccc1Cl	292298457	USPLJMCMOFZJGA-UHFFFAOYSA-N	320.780	1.503	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)cc1	802056178	ZMFURNYZECPONC-OUJBWJOFSA-N	307.350	1.661	50	20	DDGD	
CCCNC(=O)Nc1ccc(CC(=O)NN(C)C2CC2)cc1	819648062	VBBOECSUJKDXQH-UHFFFAOYSA-N	304.394	1.886	50	20	DDGD	
C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CC[C@@H](c2ccccc2)C1	814835301	NAQSRFTUVCYHFQ-DGCLKSJQSA-N	323.418	1.364	50	20	DDGD	
COCCN(C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1	816561786	LOVASHCPNVBRPX-UHFFFAOYSA-N	319.321	1.004	50	20	DDGD	
CCc1nn(C)c(OC)c1C=NNC(=O)c1sc(N)nc1C	814794858	NWGSNRCWWPRDIT-UHFFFAOYSA-N	322.394	1.102	50	20	DDGD	
Cc1ccc(NCC(=O)NN=C2CCN(CCO)CC2)c(C)c1	819804361	BQZOREUGGNGTIQ-UHFFFAOYSA-N	318.421	1.276	50	20	DDGD	
O=C(COc1ccccc1O)NN=C1CC(=O)N2CCCC[C@@H]12	814953173	VOJOKGZMWZAWDZ-LBPRGKRZSA-N	317.345	1.028	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1cccc(CO)c1	814827204	ZBBOKXSBOAOGMU-UHFFFAOYSA-N	315.329	1.042	50	20	DDGD	
O=C(CCc1cncnc1)NNC(=O)Nc1cc(F)cc(F)c1	816595187	CVZAMOQRRVQDEW-UHFFFAOYSA-N	321.287	1.540	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1ncncc1F)c1ccccc1	814283939	AYZLGWNPNPMFSZ-LBPRGKRZSA-N	305.313	1.630	50	20	DDGD	
Cc1nn(C)c(N)c1C=NNC(=O)Nc1cc(F)cc(F)c1	815007344	UTUJZPBPQZSWGF-UHFFFAOYSA-N	308.292	1.745	50	20	DDGD	
CCn1nc(C(=O)NN=Cc2n[nH]cc2C)c2ccccc2c1=O	814739121	BRNQBCQRGSEMEL-UHFFFAOYSA-N	324.344	1.212	50	20	DDGD	
Cc1csc(CC(=O)NN=C2CC[C@@H](CC(=O)O)[C@H]2C)n1	814779836	SHANUIRTHRKRJZ-ZJUUUORDSA-N	309.391	1.987	50	20	DDGD	
Cc1ccc(-n2cc(C(=O)NCCCSC#N)nn2)cc1	816539524	JMKAISWWGUKRND-UHFFFAOYSA-N	301.375	1.910	50	20	DDGD	
Cc1cc2c(cc1C)O[C@H](C(=O)NNc1ncncc1F)C2	817068250	ZXGSYMHJPGQHFY-ZDUSSCGKSA-N	302.309	1.679	50	20	DDGD	
O=C(NNC(=S)NC1CCC1)c1cccc2ncccc12	814196490	GDLZRACPBUKACT-UHFFFAOYSA-N	300.387	1.896	50	20	DDGD	
COCCN(C)NC(=O)c1ccccc1NCc1cccnc1	816561841	NMVBSJPWZWDRHC-UHFFFAOYSA-N	314.389	1.917	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N(C)CC(C)C	728944670	JBHHYNURYDGVMY-UHFFFAOYSA-N	303.366	1.585	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1	728608408	XVEJDBNQXOSJEE-GFCCVEGCSA-N	317.389	1.623	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)NC[C@H]1CNCCO1	818008089	PBCSZJYRPYRNPZ-VXGBXAGGSA-N	304.481	1.805	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNc1nccc(N(CC)CC)n1	826966478	OVQOXBJSNCSCPS-NEPJUHHUSA-N	305.382	1.357	50	20	DDGD	
Cc1ccc([C@@H](CNS(=O)(=O)CCl)N2CCOCC2)o1	820781613	BUGBBIYYRSOAKC-LLVKDONJSA-N	322.814	1.077	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H](CO)CC(F)(F)F	491177083	UFMKKPCJHYWNLD-IGLBNKAOSA-N	314.263	1.729	50	20	DDGD	
C[C@@H]1CN(C(=O)/C(C#N)=C/c2cnn(C)c2)C[C@@H](C2CC2)O1	491009951	LBPOWFBYSLUYQJ-JWDRWIBHSA-N	300.362	1.353	50	20	DDGD	
CC(C)C(=O)NNC(=O)CNC1(c2ccc(F)cc2)CCC1	828263844	MWCQEJVMJGQKJW-UHFFFAOYSA-N	307.369	1.598	50	20	DDGD	
CC(C)(C)OC(=O)NCC(C)(C)C(=O)NNC(=O)C(C)(C)C	493497496	IVPIZXBXVZUFDS-UHFFFAOYSA-N	315.414	1.731	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc2c(c1)NC(=O)CS2	495821017	TYMUTNNDHSFHBA-UHFFFAOYSA-N	310.335	1.513	50	20	DDGD	
Cc1cc(Cl)nc(C(=O)NNC(=O)OCC(F)(F)F)c1	825519869	PHYSJEQWYDLPTP-UHFFFAOYSA-N	311.647	1.977	50	20	DDGD	
CCc1ccc(CN(C)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	827314334	ARROCVMKWHKSBG-WFASDCNBSA-N	319.405	1.847	50	20	DDGD	
CC(C)(C)OC(=O)c1ccnc(NC(=O)NNC(=O)C2CC2)c1	824027396	JNPDHORIDLZFCW-UHFFFAOYSA-N	320.349	1.600	50	20	DDGD	
COc1ccnc(NNC(=O)C2(C(=O)OC(C)(C)C)CCC2)n1	821480567	GBXGYMJBWLOQMQ-UHFFFAOYSA-N	322.365	1.440	50	20	DDGD	
COC(=O)N(C)N=C1CCCc2c1cnn2-c1ncccn1	496307172	LAOGCICRAPIEOO-UHFFFAOYSA-N	300.322	1.401	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCc1ccc(F)cc1	825518110	GAGVEHTWSNJYCM-MFKMUULPSA-N	309.341	1.124	50	20	DDGD	
CSc1ccccc1[C@H](C)NCc1cccc(B(O)O)c1	585038719	DKGVVTQJQYLWJH-LBPRGKRZSA-N	301.220	1.939	50	20	DDGD	
O=C(CNS(=O)(=O)c1ccccc1F)NNc1ccccc1	825130703	FAZHDLOPBAGHOI-UHFFFAOYSA-N	323.349	1.247	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1	822837746	FJNVJGJPTVXRCT-VIFPVBQESA-N	306.240	1.468	50	20	DDGD	
C[C@@H](CNCc1ccccc1B(O)O)Oc1ccccc1Cl	585025042	KMRHSYURRNCVDY-LBPRGKRZSA-N	319.597	1.577	50	20	DDGD	
CCCN(C(=O)c1cccc(B(O)O)c1)[C@H]1CCc2ccccc21	584938403	DYXAWODLFPNRHY-SFHVURJKSA-N	323.201	1.906	50	20	DDGD	
COC[C@@H](C)n1ccc(NC(=O)NNC(=O)OC(C)(C)C)n1	495569939	SGGOIUUMBOEWDB-SECBINFHSA-N	313.358	1.652	50	20	DDGD	
Cc1ccncc1/C=C\C(=O)NNC(=O)c1cccc(C#N)c1	492458296	LSTPZNAMAZVFPR-WAYWQWQTSA-N	306.325	1.736	50	20	DDGD	
O=C(/C=C\C1CCCC1)NNC(=O)Cc1cn2ccccc2n1	493480098	KCCZPNYCVJBIFT-HJWRWDBZSA-N	312.373	1.771	50	20	DDGD	
CCOC1(C)CCN(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CC1	827268995	UQGMVQNUEVYGSR-VXGBXAGGSA-N	313.398	1.043	50	20	DDGD	
CC(C)N(C)Cc1ccc(NCc2cccc(B(O)O)c2)cc1	585045206	DEFCMFWTVIGILC-UHFFFAOYSA-N	312.222	1.819	50	20	DDGD	
CCCOc1cccc(CCNCc2ccc(B(O)O)o2)c1	585030457	SRMGLYUXGVDYRH-UHFFFAOYSA-N	303.167	1.081	50	20	DDGD	
CC(C)C(=O)NNC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C	491920376	URIRPOKYRXUJLW-LLVKDONJSA-N	313.398	1.579	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccccc1NC(C)(C)C	496746620	WFWVDABQJXICPH-UHFFFAOYSA-N	322.365	1.613	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CC2(CCC2)[C@H]1c1ccccc1	584993589	XPUGLJYWKGGNDK-QGZVFWFLSA-N	321.185	1.734	50	20	DDGD	
CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)NNC(=O)C(C)(C)C)C1	734220077	DAYDZTRMBIEDCA-MNOVXSKESA-N	312.414	1.010	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C1(C(=O)OC(C)(C)C)CC=CC1	831853855	HXFOYNJGJMSOJB-UHFFFAOYSA-N	311.382	1.357	50	20	DDGD	
CC[C@H](C)C(=O)NN=C(C)c1cn(CC(=O)OC(C)(C)C)nn1	834941930	GOTWKLZEUWSLFA-JTQLQIEISA-N	323.397	1.506	50	20	DDGD	
CC(C)(CNS(=O)(=O)CCl)c1ccc2c(c1)OCO2	830297520	ARJPTAZIXVKCLD-UHFFFAOYSA-N	305.783	1.809	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(C)cc(OC)c2O)n1	730105042	ZTUGQZHRRIIBIC-UHFFFAOYSA-N	304.306	1.265	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@@H]1CCN2CCC[C@H]2C1	837596783	PFRQKEKDMBVFHI-MNOVXSKESA-N	311.336	1.613	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CSCC(C)=O)c1F	837060466	DIOLPHXHKABVIP-UHFFFAOYSA-N	314.338	1.378	50	20	DDGD	
CC(C)[C@H](C)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	733109718	BEQHZSVCAHZGAW-LBPRGKRZSA-N	300.362	1.925	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(C)[C@H](C)c1cccc(O)c1	732203809	IWOBKDFYVZAYCO-OLZOCXBDSA-N	321.421	1.967	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc(C(F)F)o1	901965264	WHDCLKROWHLSON-UHFFFAOYSA-N	306.290	1.330	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(-c2cnco2)cc1	731852917	KUGSYSOWGLLDQE-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
C[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)CC12CCCCC2	584977654	ZVEXAQWTANUOAZ-CQSZACIVSA-N	315.222	1.799	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1cccc(N(C)C)c1)C(F)F	836509244	OWQQTAJFRFAFHO-LLVKDONJSA-N	314.336	1.740	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNc1cccc(C(=O)O)c1	833437971	FSWSDGDZLXVXND-UHFFFAOYSA-N	309.322	1.353	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H](C)[C@H](O)CC)c1	913823745	PYHHAMVJMHZQIS-GXFFZTMASA-N	305.403	1.393	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)N[C@H]1CC[C@@H](C(=O)O)C1	831072368	NPDSWLXCFXFVKP-BDAKNGLRSA-N	308.294	1.474	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)NOC1CCC1	836569304	CSGJHJDROMPWQI-UHFFFAOYSA-N	311.363	1.299	50	20	DDGD	
COc1cccc(NC(=O)NNc2nc(C)cc(OC)n2)c1	747441446	HKXXXPMXYHFDTN-UHFFFAOYSA-N	303.322	1.951	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNc2ccnc(N(C)C)n2)cc1	740118510	WEJQTYFVEJFLRW-UHFFFAOYSA-N	314.349	1.258	50	20	DDGD	
C[C@@H]1CCCc2ncc(C(=O)NNC(=O)Cc3cccnc3)n21	844376546	DLEXAKQLNDLCRM-LLVKDONJSA-N	313.361	1.179	50	20	DDGD	
CC(C)c1ncc(Cl)c(C(=O)NNC(=O)NCC2CC2)n1	743901140	YPNLOPFUVTXORD-UHFFFAOYSA-N	311.773	1.607	50	20	DDGD	
CCO[C@H]1C[C@H](NC(=O)NNC(=O)C2CCC2)C12CCCC2	743701276	FANSQDNWGHIAKX-STQMWFEESA-N	309.410	1.855	50	20	DDGD	
C[C@H](CN1CCCC1=O)NC(=O)NNc1ccc(F)c(F)c1	914278175	PZGDOWUWMRFTBB-SECBINFHSA-N	312.320	1.602	50	20	DDGD	
CC(=O)c1cc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)ccc1C	847224966	ZNKACKXNDYGILQ-AAEUAGOBSA-N	319.361	1.775	50	20	DDGD	
C[C@H]1OC(=O)N[C@@H]1C(=O)NNc1cccc(Br)c1	841409666	VGSIMTINMORXIM-MUWHJKNJSA-N	314.139	1.389	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCOc2cc(C)cc(C)c21	748253354	MKUOADZPQKFXAC-ZDUSSCGKSA-N	320.389	1.958	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cc1ccc(Cl)c(F)c1	843655002	LMVRHKVBUFZACQ-PSASIEDQSA-N	314.744	1.594	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccccc1	843650039	ZAOXPTHIJYPYQH-BNOWGMLFSA-N	306.362	1.337	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)s1	843649816	XRDOAEYSYYOTBB-WDEREUQCSA-N	324.402	1.592	50	20	DDGD	
COc1cc2c(cc1OC)C(=NNC(=O)c1ccc[nH]1)C(=O)N2	915955585	GYFJQTBNCLHNBY-UHFFFAOYSA-N	314.301	1.118	50	20	DDGD	
O=C1CCN(CC(=O)NNC(=O)c2ccccc2)C2(CCC2)C1	846993609	LSFDNIKAULJGJG-UHFFFAOYSA-N	315.373	1.035	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(C)c(N(C)C)cc1C#N	841713290	XVVHTIXVMQPKNG-UHFFFAOYSA-N	319.365	1.122	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H](c1ccccc1)C1CC1	843663771	YGDNWLXHQNTNJQ-CQDKDKBSSA-N	302.374	1.753	50	20	DDGD	
CC[C@H](NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)[C@@H]1CC1(C)C	842189041	CGUJXGYZWWWLGR-MJVIPROJSA-N	317.455	1.192	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CSc2ccccc21	843650881	IFGWGFRNBSSGCK-JBLDHEPKSA-N	306.387	1.448	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc(NC(N)=O)cc2)n1	748339700	ZLQFQNOQFYQKSP-UHFFFAOYSA-N	320.740	1.686	50	20	DDGD	
Cc1cccc(NNC(=O)Cn2c(=O)nc(O)c3ccccc32)c1	849610828	OVYMMHQXIHUTPZ-UHFFFAOYSA-N	324.340	1.554	50	20	DDGD	
O=C(NNC(=O)c1cccnc1-n1cccn1)NC1CCCC1	744054250	ZTGBZNSZOXPRCR-UHFFFAOYSA-N	314.349	1.154	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H]2CCCN(CC)C2=O)cc1	925985053	VKTAQPGPFQPGRG-CQSZACIVSA-N	320.393	1.722	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCO[C@H](c2ccccc2)C1	744386122	CHXASLKSSKRHGJ-AWEZNQCLSA-N	319.405	1.253	50	20	DDGD	
Cc1cc(C)n(CCC(=O)NNC(=O)NCc2ccco2)n1	920857666	IMCFYNNXVOXPEG-UHFFFAOYSA-N	305.338	1.014	50	20	DDGD	
CN(C)CCOCCNC(=O)NNc1ccc(F)c(F)c1	922144143	CLMMTOOYRZGQOF-UHFFFAOYSA-N	302.325	1.169	50	20	DDGD	
COCc1ccc(C=NNC(=O)C(=O)Nc2ccccn2)cc1	758380959	OUPGLESZLKRNKR-UHFFFAOYSA-N	312.329	1.317	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2cccc(N(C)C)c2)c[nH]1	753162729	ZEJPRYVCJIJODD-UHFFFAOYSA-N	314.345	1.631	50	20	DDGD	
CC1CCN(C[C@@H](C)C(=O)NN=C2CN(C3CC3)C[C@H]2C)CC1	755886098	KBOWVHNRLDVMBH-HUUCEWRRSA-N	320.481	1.941	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1ccc(Cl)s1	750937382	VHKDVZCLRJVLNY-UHFFFAOYSA-N	311.750	1.875	50	20	DDGD	
C[C@@H](CNC(=O)NNc1cc(F)cc(Cl)c1)S(C)(=O)=O	853900928	LNJPXRHAPQRUFC-ZETCQYMHSA-N	323.777	1.538	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NNc1ccc(F)c(F)c1	921725572	ALNIUKDBUPAZRF-SKDRFNHKSA-N	312.320	1.506	50	20	DDGD	
COc1ccc(CCC(=O)NN=C(C)c2nccn2C)cc1	755662180	WJCZMJBKNHSXRC-UHFFFAOYSA-N	300.362	1.902	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC[C@H]([C@H]2CCCCO2)C1	852598761	YQMDQDLLUNEHPW-UONOGXRCSA-N	311.426	1.071	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)[C@]3(C)C[C@H]4CC[C@H]3C4)nc21	859375481	UNEUVOKTLIYZKB-KOSWAMCASA-N	316.365	1.338	50	20	DDGD	
CN1CCC(NC(=S)NC[C@]2(C)C[C@H]2Br)CC1	857204428	RPJNSCYRNSLVLQ-PWSUYJOCSA-N	320.300	1.718	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2ccc3nc[nH]c3n2)c1	755713264	ICJXZTSUDKIIRX-UHFFFAOYSA-N	313.708	1.635	50	20	DDGD	
COc1cc(C(=O)NN=Cc2cnc[nH]2)cc(OC)c1OC	755480055	BDSUOSJLBBSDAX-UHFFFAOYSA-N	304.306	1.199	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1cccc(F)n1)C1CCOCC1	852709341	SKNUMNPHRXCESA-LLVKDONJSA-N	324.356	1.370	50	20	DDGD	
C[C@@H]1CC/C(=C\C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)C1	753633967	QJNOGHFTKKZXEV-YBUYXDSISA-N	300.424	1.225	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccccc1Cl)S(C)(=O)=O	754676068	RLHXKTZWXVHWFP-QMMMGPOBSA-N	305.787	1.399	50	20	DDGD	
COc1cccnc1CC(=O)NC[C@]1(C)C[C@@H]1Br	857391413	PPOUMMBKWCREDQ-AAEUAGOBSA-N	313.195	1.922	50	20	DDGD	
COC(=O)N(C)N=C(C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	853343648	MSVZDLXVODOADZ-LLVKDONJSA-N	315.370	1.696	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCc2ccncn2)c1	757594795	RIUNNIBFVZSZAM-UHFFFAOYSA-N	300.318	1.339	50	20	DDGD	
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@]1(C)C[C@@H]1Br	856752156	IHENNYMRKFJRCN-KXUCPTDWSA-N	324.244	1.086	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccnnc2C)cc1C	753005330	CKYAMSLMRPHAPO-UHFFFAOYSA-N	314.345	1.242	50	20	DDGD	
CN(C)C(=O)c1cc(=NC[C@]2(C)C[C@@H]2Br)cc[nH]1	856785287	IIHNISOQRMLMQX-AAEUAGOBSA-N	312.211	1.791	50	20	DDGD	
COC[C@H](CNC(=O)NNc1ccc(Cl)cc1C)OC	921876828	QJCIYHKTZQBPFA-NSHDSACASA-N	301.774	1.936	50	20	DDGD	
CCOc1ccccc1C=NNC(=O)C(=O)Nc1ccccn1	758387333	JWACAGPEDWRSMD-UHFFFAOYSA-N	312.329	1.569	50	20	DDGD	
Cc1nc(C)c(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)[nH]1	857197171	WVKUKAUFACKWRV-UHFFFAOYSA-N	316.365	1.877	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C#CC(C)C)cc1	854221036	FDQXXBIOXRGDIA-CYBMUJFWSA-N	318.373	1.659	50	20	DDGD	
CSCCNC(=S)NNC(=O)Nc1cc(F)cc(F)c1	752750422	ZWEFFVVAFKPXCF-UHFFFAOYSA-N	320.390	1.828	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=C1CCn2ccnc21	853408847	ZGSXMBGJXMFBFM-UHFFFAOYSA-N	305.382	1.050	50	20	DDGD	
C[C@@H](NNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)C(F)(F)F	862317746	LWZRWQNYMKDYBL-SKDRFNHKSA-N	310.279	1.812	50	20	DDGD	
CCc1[nH]c(C(=O)NN[C@H](C)C(F)(F)F)c(C)c1C(=O)OC	862305093	JUAYGBMGEUSQAE-SSDOTTSWSA-N	321.299	1.857	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NC[C@](C)(O)C(F)(F)F	867024762	HITYYHOHLMKYJB-QMMMGPOBSA-N	311.753	1.484	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H]1C[C@]12C(=O)Nc1ccccc12	930717794	KTNAANZZLGMVKF-BDJLRTHQSA-N	316.361	1.027	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)Nc2cnn(CCF)c2)c1	861474725	MXNWZZGMEURBRM-UHFFFAOYSA-N	311.342	1.689	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)Nc2ccccn2)cn1	768584041	GUYXUGFBCHSIEP-UHFFFAOYSA-N	303.347	1.117	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(Cl)c(OC)c1	863100655	URNVQWDTBSTHNO-JTQLQIEISA-N	314.769	1.850	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@](C)(NC(C)=O)C(C)C)c1	935299282	UIXIMSWBLNVBEY-MRXNPFEDSA-N	321.377	1.467	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(N(C)C)c2)c(C)nn1	767164564	ONMHMVVYMGXWLD-UHFFFAOYSA-N	313.361	1.234	50	20	DDGD	
O=C1O[C@H](C(=O)NNc2nc3ccccc3[nH]2)Cc2ccccc21	768504110	LKNMXXFENNOKES-AWEZNQCLSA-N	322.324	1.788	50	20	DDGD	
Cn1nc2c(c1C(=O)NNC(=O)CC1CCCC1)CCCC2	767927398	KPCIISUUMVHVCY-UHFFFAOYSA-N	304.394	1.640	50	20	DDGD	
C[C@@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)CC(C)(C)CCl	866953869	PLCHBJGMUHTQDU-ZYHUDNBSSA-N	308.875	1.654	50	20	DDGD	
O=C(NNc1cccnn1)c1c(C(F)F)nc2n1CCCC2	867355843	INGBEHCIOPVWNW-UHFFFAOYSA-N	308.292	1.704	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1nc2c(s1)CCCC2	863148231	WWVBYOLUAKLWDQ-JTQLQIEISA-N	306.391	1.141	50	20	DDGD	
CCCc1ccc(NC(=O)C(=O)NNC(=O)C2CCCC2)cc1	764076803	GQOCHEZUCQVCBL-UHFFFAOYSA-N	317.389	1.915	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1ccc(OC)cc1OC	872403318	VIJOLMPYMAOSRN-UHFFFAOYSA-N	310.350	1.207	50	20	DDGD	
C[C@]1(CNC(=O)NCC(=O)N2CCCC2)C[C@@H]1Br	1118752488	OXMICBBACZISQW-JOYOIKCWSA-N	318.215	1.082	50	20	DDGD	
COC(=O)N(C)NC(=O)NCC1(c2ccc(F)cc2F)CC1	875433488	RAKNBFARDACOAT-UHFFFAOYSA-N	313.304	1.909	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C2(C#N)CC(C)C2)cn1	874954378	SXSDWQBAPVPCBC-UHFFFAOYSA-N	319.390	1.348	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)CCc2ccccc2)o1	772153768	GZSLTYFCEPASKC-UHFFFAOYSA-N	300.314	1.876	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)C1=COCCO1	771535828	XDVHLVBXVRXDBM-UHFFFAOYSA-N	300.112	1.175	50	20	DDGD	
O=C(CN1CCC[C@@H]2CCC[C@H]21)NNC(=O)c1cccs1	777589525	AGFJWKXGXDQKEA-NWDGAFQWSA-N	307.419	1.774	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC[C@H]1CC(C)=NO1)c1ccccc1	875973658	HSQLYWVHZCTCGO-KGLIPLIRSA-N	318.377	1.675	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(C)nc(Cl)c1	778561187	AKAFSVVTOPPPBM-QMMMGPOBSA-N	313.741	1.146	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1	777371999	HOVLUCQIUXESGJ-UHFFFAOYSA-N	321.768	1.798	50	20	DDGD	
Cc1cnccc1C(=O)NNc1cccc(S(C)(=O)=O)c1	771446750	JFMFZQQZMVESPF-UHFFFAOYSA-N	305.359	1.550	50	20	DDGD	
CNC(=O)CCCCC(=O)NNC(=O)CCc1ccccc1	779754072	KIIZPWIBQRATAZ-UHFFFAOYSA-N	305.378	1.073	50	20	DDGD	
COc1cccc(C2(C(=O)NNc3cnnn3C)CCCC2)c1	880123557	RZTIOFDUFDTNEA-UHFFFAOYSA-N	315.377	1.779	50	20	DDGD	
CC1(C)C[C@H](NC(=O)NNc2ccc(C#N)cn2)C(C)(C)O1	888762974	LGZPLTIIAYQHRH-NSHDSACASA-N	303.366	1.925	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](C(=O)NNc2cc(C(F)(F)F)ccn2)C1	1120655287	QYULRNQHJSORDW-OCAPTIKFSA-N	317.267	1.743	50	20	DDGD	
CCn1cnc2c1CCN(C(=O)/C(C#N)=C\c1cnn(C)c1)C2	886611665	LTIJQKICTFAPSX-MLPAPPSSSA-N	310.361	1.128	50	20	DDGD	
CCOC1(C(=O)NNc2cc(F)ccc2F)CCOCC1	885139693	GSUGPBXPXJMMPR-UHFFFAOYSA-N	300.305	1.994	50	20	DDGD	
O=C(NC[C@@H]1CCCC1(F)F)NNC(=O)C1CCOCC1	883677054	DTHVMFMFKIFLKN-JTQLQIEISA-N	305.325	1.179	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(F)c(F)cc1F	785590798	IDVSNCOWTXNAKT-ZCFIWIBFSA-N	318.251	1.207	50	20	DDGD	
COc1ccnc(NNC(=O)NCC(C)(C)C2=CCOCC2)n1	1123743699	HKIOHUDFUGKRDF-UHFFFAOYSA-N	321.381	1.484	50	20	DDGD	
CC1(C)CC(CNC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	780872933	HJNLXDMAGAUZGS-UHFFFAOYSA-N	320.349	1.975	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)n1	787426177	QFRZVWNYIKJYSM-CYBMUJFWSA-N	324.344	1.670	50	20	DDGD	
Cc1c(Cl)ccc2c(CC(=O)NNC(=O)CN(C)C)coc12	896127821	BZWBXBYWSWVDDL-UHFFFAOYSA-N	323.780	1.646	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCC(C)(C)C#N	781953860	OCHJNZYDRPUFFH-UHFFFAOYSA-N	304.350	1.118	50	20	DDGD	
CN(CCc1ccccc1)CC(=O)NNC(=O)CC(C)(C)C	896148381	BPABMMMLGGKVOD-UHFFFAOYSA-N	305.422	1.745	50	20	DDGD	
O=C(NCC#Cc1ccccc1)NNc1ncncc1Cl	780959555	HYGWQJKAIVSGNB-UHFFFAOYSA-N	301.737	1.808	50	20	DDGD	
O=C(CCc1cnc[nH]1)NNC(=O)Cc1c[nH]c2ccccc12	792807748	CFFCKYUFBBBFPQ-UHFFFAOYSA-N	311.345	1.214	50	20	DDGD	
CCn1ncnc1CNC(=O)NNc1ccc(Cl)c(F)c1	793456394	RYCCAEVLDMIBOP-UHFFFAOYSA-N	312.736	1.917	50	20	DDGD	
Cc1ccc2c(c1)OCCCC2=NNC(=O)C[n+]1ccccc1	794457256	MSZQEPRURPXLRX-UHFFFAOYSA-O	310.377	1.976	50	20	DDGD	
C[C@H](O)C[C@H]1CCCCCN1CC(=O)NNC(=O)C(C)(C)C	796384972	PJWHXAMJBVCBHT-QWHCGFSZSA-N	313.442	1.195	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Cc2ccc3c[nH]nc3c2)c1	793418374	KBTCRCCFWDQBGD-UHFFFAOYSA-N	319.324	1.438	50	20	DDGD	
Cc1ccc(Br)cc1C(=O)N1CC[C@@H](B(O)O)C1	585067710	VGJZOCQSPPNHLM-SECBINFHSA-N	311.972	1.446	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1)C(=O)Nc1cncc(F)c1	799260847	BLZQPOWBRJRNOU-UHFFFAOYSA-N	308.700	1.956	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)COc1ccccc1OC	792797447	MWLGQYUTPQCZKP-NHYWBVRUSA-N	324.377	1.283	50	20	DDGD	
Cc1nn(-c2ccccc2)c(N)c1C=NNC(=O)NCC1CC1	794903735	NZJXUWMWMGWNMB-UHFFFAOYSA-N	312.377	1.806	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccc(O)c(O)c2)ccc1O	794557009	NMHKEAVCFNDFMY-UHFFFAOYSA-N	302.286	1.576	50	20	DDGD	
COc1cc(C(C)=NNC(=O)c2ccc(O)c(O)c2)ccc1O	794555893	LGGDIMXVWATAFS-UHFFFAOYSA-N	316.313	1.966	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H](OC)[C@@H](C)CC	794865434	XZLBWTQNGGYUJJ-BLLLJJGKSA-N	322.405	1.836	50	20	DDGD	
COc1ccc(NCC(=O)NN=C(C)c2cc(C)n(C)n2)cc1	799868588	YUNMWSHXQFPDLC-UHFFFAOYSA-N	315.377	1.689	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccnn1-c1ccccc1	792658385	JQFNYXCHKMTYTA-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2nnc(C3CC3)s2)n1	794750693	CFMSZXCESZVWPI-UHFFFAOYSA-N	318.362	1.585	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	794619011	PDMZXHMLCFEUEE-UHFFFAOYSA-N	314.345	1.285	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)CCN2CCC(C)CC2)[C@H]1OC	1326100430	FUBAMGGDQQTNNW-GDBMZVCRSA-N	311.426	1.404	50	20	DDGD	
CN[C@@H](CC(C)(C)C)C(=O)NNc1nncc(N)c1Cl	1328523235	WDVSGSYCCCFXOB-QMMMGPOBSA-N	300.794	1.180	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1329557913	OZVFHULYYCMHIY-BSTOTGJRSA-N	317.227	1.676	50	20	DDGD	
Cc1ccc2c(c1)[C@H](NC(=O)NNC(=O)C1CCNCC1)CC2	1329629569	CTZOWSQOTUXXRZ-OAHLLOKOSA-N	316.405	1.312	50	20	DDGD	
NC1(CNC(=O)NNC(=O)c2ccccc2Cl)CCCCC1	1328726198	SEMRYOKOCSESEG-UHFFFAOYSA-N	324.812	1.946	50	20	DDGD	
Nc1cnnc(NNC(=O)CSCC(F)(F)F)c1Cl	1253783092	NCVVONSXWRGCJK-UHFFFAOYSA-N	315.708	1.451	50	20	DDGD	
C#CCOc1ccc(C(C)=NNC(=O)C2CCOCC2)cc1	1331993967	JJASSSSZMHUWDP-UHFFFAOYSA-N	300.358	1.965	50	20	DDGD	
Nc1nc(CN2CCN(C(=O)CCl)CC2)nc2ccccc12	1336910744	ZWCXNHPSTKGHCV-UHFFFAOYSA-N	319.796	1.095	50	20	DDGD	
COc1cccc([C@H]2CCCN2CC(=O)NNC(=O)C(C)C)c1	1330578623	YAKGBLUZOUFXGS-OAHLLOKOSA-N	319.405	1.636	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCCCC(F)F)cc1	1335193654	NYBIAQOCKVUBRU-UHFFFAOYSA-N	315.320	1.750	50	20	DDGD	
Cc1cc(Cn2nnc(C(=O)N3CC=C(C#N)CC3)c2C)no1	1412682554	AFYFFXQSZLWJEY-UHFFFAOYSA-N	312.333	1.227	50	20	DDGD	
Cn1ncc(C=NNC(=O)c2n[nH]c3c2CCCC3)c1Cl	1261235865	LIUVDSFAYULHKZ-UHFFFAOYSA-N	306.757	1.439	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2snnc2C(C)C)n1	1262622818	IMFFXBYPADDCGL-UHFFFAOYSA-N	305.363	1.440	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cccc(C(=O)N2CCCCC2)c1	1518773194	IQPDYRCFFNEPIT-UHFFFAOYSA-N	317.389	1.730	50	20	DDGD	
Nc1nc(Cl)ccc1C(=O)NNc1ncccc1C(=O)O	1605655501	QIHOGMJPNPWZPY-UHFFFAOYSA-N	307.697	1.167	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)Nc2ccccn2)oc1C(=O)O	1607580180	SNGNIRKNLFHUBT-UHFFFAOYSA-N	320.330	1.313	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2cnoc2C2CC2)cc1	1608781433	DAYNAAJATOURGL-UHFFFAOYSA-N	301.302	1.936	50	20	DDGD	
CC(C)(C)[C@@H](C(=O)O)C(=O)NN=c1cc[nH]c2cccnc12	1602853219	OBXPRKDPRDTUMS-LLVKDONJSA-N	302.334	1.242	50	20	DDGD	
COCC(C)(C)C=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1605043434	UINKRGJHPKBSDV-UHFFFAOYSA-N	302.338	1.255	50	20	DDGD	
COc1cc(NNC(=O)[C@@](C)(C#N)CC(=O)O)ccc1Cl	1604732122	VKMJIYBMWWMHMW-CYBMUJFWSA-N	311.725	1.796	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c(C)nn1	1609250783	AKZFGHXUSUCNJU-UHFFFAOYSA-N	324.348	1.284	50	20	DDGD	
Cc1cccnc1NNC(=O)c1ccc(F)c(-c2nn[nH]n2)c1	1605948234	WWUUCMXVNTZUIU-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@H]2CCCn3ncnc32)c1F	1602448076	MFGMINCQDULQMP-SECBINFHSA-N	319.296	1.136	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cccc(SCCC(=O)O)c1	1609882488	XHSHMCCNKREUOW-UHFFFAOYSA-N	311.363	1.816	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCC1(C(=O)O)CC1	1600584941	BDWOKDFCBNNUTI-UHFFFAOYSA-N	306.322	1.196	50	20	DDGD	
Cc1oc(C(=O)O)cc1C(=O)NNC(=O)c1ccc(Cl)nc1	1600826189	JNBQOVTXDQCNFR-UHFFFAOYSA-N	323.692	1.409	50	20	DDGD	
O=C(Cc1ccc(-c2nn[nH]n2)cc1)NNc1cccc(F)n1	1606593459	KQROUUVOCWCYTP-UHFFFAOYSA-N	313.296	1.087	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1C[C@@H](C(=O)O)C[C@@H](O)C1	1610619219	SGZFJEZIRJRJHF-PGMIRAASSA-N	318.304	1.027	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CCC2CNC2)c(Cl)c1	1579720394	PYYQAKGCFNCREH-UHFFFAOYSA-N	310.785	1.801	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNc1cccc(C(=O)O)c1F	1589691552	ZQRQZDYIUTZKTQ-UHFFFAOYSA-N	311.313	1.129	50	20	DDGD	
C[C@@H](SCC(=O)NNC(=O)c1cccc(Cl)c1)C(=O)O	1589169953	UDYPSXUWYNHESG-SSDOTTSWSA-N	316.766	1.307	50	20	DDGD	
NC1(C(=O)NNC(=O)c2cccc(Cl)c2)CC2(CCC2)C1	1580139280	GMXRWZCQDMLKRB-UHFFFAOYSA-N	307.781	1.763	50	20	DDGD	
O=C([C@H]1CCCS1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843367164	KELGXZGFBCHTNN-NXEZZACHSA-N	320.817	1.620	50	20	DDGD	
C[C@H]1CCC[C@H](CNC(=O)NNc2cccc(C(=O)O)c2)O1	1594345682	FOFCIRLNPLDKDC-GXFFZTMASA-N	307.350	1.969	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2ccc(F)cc2F)O[C@H]1C(=O)O	1599876156	RLHRKWKJKVCWHU-DIMCTHFVSA-N	300.261	1.286	50	20	DDGD	
CO[C@H](C(=O)NNc1ccc(C(=O)O)cc1F)c1cnn(C)c1	1599028679	QJULBKGPQQTVLK-LBPRGKRZSA-N	322.296	1.088	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C\c1ccc(C(=O)O)cc1[N+](=O)[O-]	1776120389	FVLKCVZPPKTXGA-WDZFZDKYSA-N	301.258	1.502	50	20	DDGD	
CCc1cc(C(=O)O)c(C=NNC(=O)Cc2cc(C)[nH]n2)s1	1776028619	PVDPULLWNUJMAZ-UHFFFAOYSA-N	320.374	1.733	50	20	DDGD	
O=C(O)CCOc1cccc(C=NNC(=O)c2ncccn2)c1	1776081198	CPGQKWJBKTULKO-UHFFFAOYSA-N	314.301	1.094	50	20	DDGD	
N#CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](F)Cl)C3)CC1	1795846255	DNEPUUXGHFPEFK-LMLFDSFASA-N	313.760	1.463	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCSCCCO	161578245	TZEWCONBWNPZSR-UHFFFAOYSA-N	319.858	1.584	50	20	DDGD	
Cc1noc(C)c1C[C@@H](C)NC(=O)NNc1cncc(Cl)n1	162356279	MHYYTAIARVCYLB-SSDOTTSWSA-N	324.772	1.992	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2C=CCCC2)cc1	158735164	SVKMHGXPHFFPGE-CYBMUJFWSA-N	303.362	1.813	50	20	DDGD	
CO[C@H](C)CC(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	151099327	RNXBTRHRWKUXPC-MRVPVSSYSA-N	308.363	1.324	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CCc1ccccc1)N1CCSCC1	151923677	NFLRKRDWNCGHBB-ZDUSSCGKSA-N	321.446	1.204	50	20	DDGD	
COc1ccccc1[C@@H](C)CC(=O)NNC(=O)c1cc(C)n[nH]1	153095088	HKYGKKSMWFSYBG-JTQLQIEISA-N	316.361	1.682	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCC(C)CC1	153679429	WERVSPMQTDAMHR-UHFFFAOYSA-N	303.406	1.417	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccccc2)cnn1CC(C)C	157351806	XEGFVDMDECWEKI-UHFFFAOYSA-N	300.362	1.922	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCCS(=O)(=O)c1ccccc1	159176325	JVFISJGGIHTJCI-QXMHVHEDSA-N	308.359	1.020	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1ccn(C2CCCC2)n1	159798416	DSKKJYOMBRIHOC-UHFFFAOYSA-N	312.337	1.421	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1	6127760	GELZFCHSQFMISH-UHFFFAOYSA-N	314.297	1.499	50	20	DDGD	
Cc1csc(CC(=O)NNC(=S)NC2CCCCC2)n1	7027275	NPINFBHUDVYMBQ-UHFFFAOYSA-N	312.464	1.822	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCCCC2)C(=O)NC1CC1	8392876	LMTGKECJBTXWGV-UHFFFAOYSA-N	321.402	1.057	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Cc1cccc(Cl)c1	103422990	PEPSRNYQNKZZLM-UHFFFAOYSA-N	303.749	1.668	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)Cc2cc[nH]n2)cc1	106418084	PGJPOAXQPKZBIZ-UHFFFAOYSA-N	304.375	1.200	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@H]2CCCO2)ccc1OC(C)C	28632408	RIRSGNWNHMTLME-CYBMUJFWSA-N	322.361	1.422	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCN(c2cccc(C)c2)CC1	109827399	YSVIVEMZOMZQEH-CQSZACIVSA-N	318.421	1.063	50	20	DDGD	
O=C(CN1CCCCC1=O)NNc1cc(F)c(F)cc1F	115718117	KVBZREMEXKQOPR-UHFFFAOYSA-N	301.268	1.560	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CCc1ccccn1	62882627	PHIHLQIMUDLTPX-UHFFFAOYSA-N	313.357	1.413	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCn1c(C)c(C)sc1=O	115346036	RBLQMIGEZXKAHS-UHFFFAOYSA-N	314.411	1.047	50	20	DDGD	
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NNc1cnccn1	114879364	NFUISIGUDWKLMC-HNNXBMFYSA-N	323.356	1.884	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)CC2(O)CCCC2)c1	118870037	YZQTWQSDRWFSHG-UHFFFAOYSA-N	320.389	1.525	50	20	DDGD	
Cc1ccc(O[C@@H](C)C(=O)NNC(=O)NCc2ccco2)cc1	65177519	LQGJZWKGTBEWPM-LBPRGKRZSA-N	317.345	1.886	50	20	DDGD	
CC(C)CS(=O)(=O)CCC(=O)NNc1ccc(Cl)nn1	118499291	BCJJFCFDLQXNQY-UHFFFAOYSA-N	320.802	1.034	50	20	DDGD	
CN(C)c1cc(C(=O)NNC(=O)Cc2ccccc2F)ccn1	66784326	KTPLIGCHBNMQHV-UHFFFAOYSA-N	316.336	1.290	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@H]2C[C@]23CCCc2ccccc23)cn1	173688548	OXNWGTZZEIRNEM-QAPCUYQASA-N	324.384	1.475	50	20	DDGD	
CC[C@H](COC)NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	172451061	BLYKJDMNQLQVKH-YGLIYXGISA-N	300.362	1.653	50	20	DDGD	
O=C(NNC(=O)C1(O)CCCCC1)c1ccc(Cl)cc1F	129158012	BCFLOLAJDNJYSG-UHFFFAOYSA-N	314.744	1.935	50	20	DDGD	
CC1CCC(N2C[C@@H](C(=O)NNc3ncccn3)CC2=O)CC1	66821247	AWKVIQZARONMSF-CPCZMJQVSA-N	317.393	1.347	50	20	DDGD	
CSC[C@@H](C)NC(=O)NNC(=O)Cc1c[nH]c2ccccc12	77626848	HZUZSUOLCLYPQT-SNVBAGLBSA-N	320.418	1.792	50	20	DDGD	
O=C(CC1(O)CCCCC1)NNC(=O)c1ccc(Cl)nc1	72971541	AVIPDUZEOVUJQW-UHFFFAOYSA-N	311.769	1.581	50	20	DDGD	
CC(C)[C@@H](CO)NC(=O)NNC(=O)c1cc2ccccc2o1	181366267	ZMXOSUWMXWSPDT-LLVKDONJSA-N	305.334	1.394	50	20	DDGD	
Cc1conc1NC(=O)C(=O)NNc1cc(F)c(F)c(F)c1	126352709	JKOFVNVQXONDQN-UHFFFAOYSA-N	314.223	1.482	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C1(C#N)CCC1	128149035	MLSMKJUUXQHEEJ-JTQLQIEISA-N	305.309	1.434	50	20	DDGD	
COC(=O)[C@@](C)(NC(=O)/C(C#N)=C\c1ccc(O)cc1)C1CC1	185692598	DHWGAQIKKBEDBD-GKUQOKNUSA-N	314.341	1.757	50	20	DDGD	
O=C(NNc1ccncc1)Nc1ccnn1Cc1ccccn1	122307560	GLSQWKRLBXHBCN-UHFFFAOYSA-N	309.333	1.870	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc(Cl)c(Cl)n1C	78809831	WJXJAHLEHPZAJE-UHFFFAOYSA-N	315.160	1.745	50	20	DDGD	
Nc1nccnc1C(=O)NNC(=O)c1cccc2ccccc12	122273978	OWFOGGOBIGOXQF-UHFFFAOYSA-N	307.313	1.287	50	20	DDGD	
Cc1cccc(OCC(=O)NNc2ncccc2[N+](=O)[O-])c1	120054149	KRJYGUSORGAGIJ-UHFFFAOYSA-N	302.290	1.820	50	20	DDGD	
COC(=O)CCCN(C)C(=O)c1c(C)nn(CCCl)c1C	74218962	GQSILRJFVIYCQT-UHFFFAOYSA-N	315.801	1.764	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CCNc1ccccc1[N+](=O)[O-]	77220040	KFALTIZXYNTIQY-UHFFFAOYSA-N	308.338	1.590	50	20	DDGD	
CN(NC(=O)CCCc1ccccc1Br)C(N)=O	182636103	QCLNRCGFZLJVQI-UHFFFAOYSA-N	314.183	1.814	50	20	DDGD	
O=C(CCc1nc(-c2ccccc2)no1)NNc1ncccn1	43731172	HODRCHDNHXSCTB-UHFFFAOYSA-N	310.317	1.603	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1cnn(CC(F)F)c1	186043150	BVUBMXBYZOSMFK-UHFFFAOYSA-N	310.264	1.010	50	20	DDGD	
CCCSCC(=O)NNC(=O)Cc1nc2ccccc2n1C	48401991	IUTSMPMYYMDSCH-UHFFFAOYSA-N	320.418	1.406	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NC[C@H]1C[C@H]2CC[C@@H]1C2	83205874	SRZHBSDJKFMNJQ-BFHYXJOUSA-N	302.378	1.391	50	20	DDGD	
COCCCC(=O)NNC(=O)Cc1cccc2ccccc12	49633429	CFDOCWSKVXKABU-UHFFFAOYSA-N	300.358	1.956	50	20	DDGD	
O=C(NCc1ccc(F)cc1)NNc1nc2ccccn2n1	190337656	PKWIXFAEOYAUIA-UHFFFAOYSA-N	300.297	1.695	50	20	DDGD	
CO[C@@H](C)CC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	195488736	LGYPSVANDQOGPC-JTQLQIEISA-N	302.334	1.263	50	20	DDGD	
COCC(=O)NNC(=O)N[C@H](c1ccccc1)C(F)(F)F	133775307	KUHKQSJFALLCBL-SNVBAGLBSA-N	305.256	1.267	50	20	DDGD	
N#CC1(C(=O)NNc2nc3ccccc3c(=O)[nH]2)CCCCC1	137147855	CQUFWLPSJDRALJ-UHFFFAOYSA-N	311.345	1.840	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCOC1)c1ccc(Cl)cc1Cl	194629808	VBDKPTYUJRRAIR-ZETCQYMHSA-N	303.145	1.791	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cn(C)nc1-c1cccnc1	194571971	XRNYCFDRMUUBQR-MDWZMJQESA-N	311.345	1.152	50	20	DDGD	
Cc1cc(O)c(C(=O)NN=c2sc3ccccc3n2C)cn1	255828037	LHSPJJHEHCHGTF-UHFFFAOYSA-N	314.370	1.895	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)[C@@H]1C[C@H]2CC[C@H]1O2	265002382	DWJJMRPWPYZFDV-GMTAPVOTSA-N	301.306	1.142	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1ccc(Cl)nc1	266577773	ZIRRIBHAYCVKEG-UHFFFAOYSA-N	300.746	1.657	50	20	DDGD	
CC(=O)NNC(=O)[C@H]1CCN(c2ccc(C(C)C)cc2)C1=O	266581373	MRXDNHQYKWSDOC-CQSZACIVSA-N	303.362	1.330	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CCCCNC(N)=O	263690842	IMAJKVIJMOTQTP-UHFFFAOYSA-N	311.294	1.347	50	20	DDGD	
O=C(NC[C@H]1CCS(=O)(=O)C1)NNc1c(F)cccc1F	265385914	BYISKZPONDTZSW-MRVPVSSYSA-N	319.333	1.026	50	20	DDGD	
C[C@H](CCOc1ccccc1)C(=O)NNC(=O)c1ccc[nH]1	266695590	OHZHSJYQSUSYRL-GFCCVEGCSA-N	301.346	1.881	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCCN1CCSCC1	274518428	NENHDTYELSSWJC-UHFFFAOYSA-N	312.414	1.809	50	20	DDGD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)COc1ccccc1F	279614553	JMLGTHXZJMYADQ-MNOVXSKESA-N	322.336	1.357	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)Nc1ccncc1	272922454	GOHFREHPYLGBBK-VIFPVBQESA-N	323.353	1.148	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)CCO1	272101478	PYADAPBMVUISQG-UTUOFQBUSA-N	324.352	1.556	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@@H]1CCc2[nH]ncc2C1	270234238	RBYFYINTIDALLN-LLVKDONJSA-N	316.336	1.044	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccccc1-c1nc(C)no1	272918184	DUSNIBUGRMUIMX-UHFFFAOYSA-N	303.322	1.351	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)C1(C)CCC1	274424306	OWIQHQNPNZPNAC-UHFFFAOYSA-N	312.391	1.732	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2C[C@@H](OC(C)C)C2(C)C)n1	274558232	WBIDXCCOOSPQRJ-WDEREUQCSA-N	323.397	1.703	50	20	DDGD	
CCCN1CCCN(S(=O)(=O)CCCCCl)CC1=O	372709718	AMTMWEFUIPKPHB-UHFFFAOYSA-N	310.847	1.280	50	20	DDGD	
CN1CCOc2ccc(C(=O)NNc3ncccc3F)cc21	375923481	VUJMNFHCYFHAIZ-UHFFFAOYSA-N	302.309	1.806	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(OC(F)F)nc1	282687935	AAMVRFIQKBVXRJ-UHFFFAOYSA-N	303.269	1.381	50	20	DDGD	
CCCN(NC(=O)c1cccc(=O)n1C)C(=O)OC(C)(C)C	286624966	WDKMNKZVIRAMOO-UHFFFAOYSA-N	309.366	1.677	50	20	DDGD	
CC(C)n1cnc(C(=O)NNC(=O)c2cccc(N(C)C)c2)c1	281535552	MXBKRDKISGPCHP-UHFFFAOYSA-N	315.377	1.605	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2nccnc2C2CCC2)o1	286918761	IFGXQPIOUIBLRW-UHFFFAOYSA-N	301.306	1.193	50	20	DDGD	
CSC[C@@H](C)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802118733	KWBXNIHJXYPHFX-SNVBAGLBSA-N	310.423	1.904	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(C#N)ccc1Cl	803834665	NGKPJVRBURNFFX-QMMMGPOBSA-N	323.736	1.314	50	20	DDGD	
COc1nccnc1NNC(=O)C1CC(O)(CCC(C)(C)C)C1	294887125	FTXPXEOOKOMIPS-UHFFFAOYSA-N	322.409	1.896	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@]1(CO)C[C@@H]1c1ccccc1	292729934	PMLDOUNRQLETPS-IZMZXHESSA-N	300.358	1.713	50	20	DDGD	
C[C@@H]1C[C@@H](CNC(=O)NNc2ncc(F)cc2F)CCO1	297455480	VPEHRPSIJWCFGQ-BDAKNGLRSA-N	300.309	1.801	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H]2CCN(CCOC)C2)cc1	297388624	WFGPHEAAZVFXLZ-AWEZNQCLSA-N	322.409	1.432	50	20	DDGD	
COCCN(C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1	294137991	AJGCLQVGASTCOA-UHFFFAOYSA-N	322.365	1.418	50	20	DDGD	
CC(C)[C@@](C)(O)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	802000756	ZOWTYVCTKVMCAH-CYBMUJFWSA-N	301.293	1.525	50	20	DDGD	
Cn1cnc(/C=C(/C#N)C(=O)NCc2ccc(F)cc2F)c1	800794920	UQJDQGZBLNEZFY-WCIBSUBMSA-N	302.284	1.922	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H](C)Cc1cnc2ccccc2n1	293413073	ZCWLEGJANCVSQD-LLVKDONJSA-N	315.377	1.547	50	20	DDGD	
CCCN(CCC)C(=O)CCCC(=O)NNc1ccncn1	295399451	GVFNBHNSPGKPIC-UHFFFAOYSA-N	307.398	1.739	50	20	DDGD	
CC(C)(C)c1n[nH]cc1C(=O)NNC(=O)Cc1ccccc1F	294019132	GKIBCKYFXKEWJS-UHFFFAOYSA-N	318.352	1.850	50	20	DDGD	
CCCC[C@H](C)C(=O)NNC(=O)COc1ccc(C#N)cc1	800315282	WUGQEWAXHRZNAX-LBPRGKRZSA-N	303.362	1.911	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C2(C#N)CCCC2)cc1	802061192	SKHFLXRKFDKKPG-UHFFFAOYSA-N	302.334	1.932	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)CC(C)C)nnn1-c1ccccc1	299132500	FAFVZTZFEXTZGK-UHFFFAOYSA-N	315.377	1.312	50	20	DDGD	
Cc1cc(-n2cncn2)ccc1C(=O)NNc1cccc(F)n1	804770382	YMARQMHTXKPMKI-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
O=C(NNC(=O)c1cc(Br)cs1)NC1CC1	299305022	CCPTXMDXOZGGAR-UHFFFAOYSA-N	304.169	1.617	50	20	DDGD	
O=C(CCOc1ccccc1F)NNC(=O)[C@@H]1CCCCO1	295569294	AZZQNRIPNWXUBB-ZDUSSCGKSA-N	310.325	1.311	50	20	DDGD	
CC[S@@](=O)CC(=O)NNC(=O)Cc1ccc2ccccc2c1	294786976	HGQPMFNDNKWRMN-JOCHJYFZSA-N	318.398	1.298	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	801111087	KQSOQRZFQPFYOB-WCQYABFASA-N	321.377	1.142	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2ccc(C)cc2O)on1	814810941	JRKCQVDDIFFMIG-UHFFFAOYSA-N	303.274	1.239	50	20	DDGD	
C[C@H](CBr)CN1CCC[C@H](n2cc(CO)nn2)C1	815142790	ZBCYMKRZEWZTST-PWSUYJOCSA-N	317.231	1.438	50	20	DDGD	
Cc1c(C(=O)O)oc2c1C(=NNC(=O)c1ccnnc1)CCC2	817343282	RDKWVKPNABRGHE-UHFFFAOYSA-N	314.301	1.547	50	20	DDGD	
CC(=O)N[C@H]1CCN(/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)C1	817280420	FMALRHMYRSTFLF-NOAOUHAHSA-N	300.318	1.670	50	20	DDGD	
O=C(NNc1ncncc1F)c1cc(-c2ccccn2)no1	817078804	VNVXPVAMJAOBQN-UHFFFAOYSA-N	300.253	1.423	50	20	DDGD	
O=C(NCC1CC1)C(=O)NNc1cc(Cl)nc(Cl)c1	819747189	MJRUVKLZXODLLX-UHFFFAOYSA-N	303.149	1.358	50	20	DDGD	
Cc1nnsc1C=NNC(=O)[C@@H](C)Oc1ccc(F)cc1	814214715	HDGHEWNSRFKGEQ-SECBINFHSA-N	308.338	1.903	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2CCO[C@H](C(F)(F)F)C2)n1	814753071	MYILLUVDKQDDRO-NSHDSACASA-N	318.299	1.713	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)NCc2ccco2)cs1	815113318	XKQHWIDLFYBCPQ-UHFFFAOYSA-N	307.331	1.688	50	20	DDGD	
COc1ccnc(NNC(=O)c2nc3cnccc3s2)n1	816859655	HXNSDHRMEHUOJN-UHFFFAOYSA-N	302.319	1.247	50	20	DDGD	
CC(=NNC(=O)CCN1CCCCCC1)c1cc(CO)on1	812224352	AEFOORBKWGJQAT-UHFFFAOYSA-N	308.382	1.273	50	20	DDGD	
COc1cccc(C=NNC(=O)COc2ccccc2O)c1O	814951075	MBILUNMZXJBZQZ-UHFFFAOYSA-N	316.313	1.636	50	20	DDGD	
Cn1c(NNC(=O)c2ccc3nn[nH]c3c2)nc2ccccc21	816578709	MPZXDZVCZUPOFZ-UHFFFAOYSA-N	307.317	1.602	50	20	DDGD	
CS(=O)(=O)c1ccccc1CC(=O)NCCCSC#N	819699325	ZRKQCFYZYDTNDQ-UHFFFAOYSA-N	312.416	1.353	50	20	DDGD	
O=C(NNc1ncncc1F)c1cccnc1OCC(F)F	817080682	AXBKNBYCIWSTOF-UHFFFAOYSA-N	313.239	1.412	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)COc1ccc(F)cc1	812529522	AWVGOJBZBUOSQW-WDEREUQCSA-N	312.341	1.271	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1ccc(Cl)s1	825596113	ZLIJFXILEHZVGZ-CBAPKCEASA-N	317.798	1.657	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNC(=O)C[C@@H]1CC[C@H]2C[C@@H]12	822969973	GQKIAIJJXYOMJX-GARJFASQSA-N	321.402	1.062	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCc2ncnc(O)c2C1	490702345	YSFSMWSCJPHOPH-GHXNOFRVSA-N	322.324	1.380	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)COc1cc(C)cc(C)c1	491738688	PGKZYFQASVERPB-UHFFFAOYSA-N	310.357	1.662	50	20	DDGD	
CC[C@@H](CCO)NC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	490782923	MKXGXTVPVJDHDN-LVOZBFFPSA-N	300.362	1.389	50	20	DDGD	
CCN(CCO)NC(=O)/C=C\Sc1cc(F)ccc1F	823884732	HTGXZVWVABKQET-YVMONPNESA-N	302.346	1.916	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)[C@@H]1C[C@H]2CC[C@H]1O2	496368046	XEQLXILFUANBFK-GRYCIOLGSA-N	311.382	1.571	50	20	DDGD	
Cc1cc(/C=C(/C#N)C(=O)NCC#CCO)c(C)n1CC(C)C	490936723	BPKNRSKBSYEFQH-YVLHZVERSA-N	313.401	1.780	50	20	DDGD	
CCn1nc(C)c(CNC(=O)NNc2cccc([N+](=O)[O-])c2)n1	824695540	ZEMNXYJUOAUORF-UHFFFAOYSA-N	319.325	1.341	50	20	DDGD	
COCC1CCC(=NNC(=O)CNC(=O)OC(C)(C)C)CC1	497069135	COCRRJKINUSIHM-UHFFFAOYSA-N	313.398	1.820	50	20	DDGD	
COCCn1cc(C(=O)NN(C)C(=O)OC(C)(C)C)c(C)n1	496241478	BMHBYGJYEGHMOD-UHFFFAOYSA-N	312.370	1.350	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)NCC1=CCCC1	823099140	UIURRNSBDNJEPU-UHFFFAOYSA-N	307.325	1.645	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1[C@H](C)Cc2cc(F)ccc2[C@H]1C	828603641	GUHAUOLDRNGJPK-VXGBXAGGSA-N	321.396	1.937	50	20	DDGD	
CCOc1nc(C(F)(F)F)ccc1C(=O)NN(CC)CCO	823879881	WEHAYGOJXMEUBV-UHFFFAOYSA-N	321.299	1.458	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](CC)C(=O)NC)cc1	491008173	HNHOWYYTMMWGMX-VOMSXAGXSA-N	315.373	1.633	50	20	DDGD	
CCC(CC)[C@H]1C[C@@H](NCc2cccc(B(O)O)c2)CCO1	585033308	CPPRHAXHXRNKIV-DLBZAZTESA-N	305.227	1.440	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1ccc(-c2nn[nH]n2)s1	823280611	DHJNQQIPJSOQCM-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)nc(C(F)(F)F)c1)NC1CC1	823768414	ULFRNUKNHRBWPD-UHFFFAOYSA-N	322.674	1.860	50	20	DDGD	
OB(O)c1ccccc1CNCC1CCN(c2ccccc2)CC1	585038464	FZHCMCQOBBMABM-UHFFFAOYSA-N	324.233	1.373	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC[C@H](C2CCC2)CC1)C(=O)N1CCCC1	824877709	WMOYUIXGDDLTMY-HDJSIYSDSA-N	321.421	1.363	50	20	DDGD	
CCc1cccc(NC(=S)NNC(=O)C2CCOCC2)c1	905567368	GSTGBTWXRLJLKP-UHFFFAOYSA-N	307.419	1.993	50	20	DDGD	
Cc1cccc(C2(C(=O)NNC(=O)c3c[nH]nc3C)CCC2)c1	732083173	XRNUFWVOBIJBFG-UHFFFAOYSA-N	312.373	1.909	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC1CCN(c2cccnn2)CC1	491158410	FIUWSAFFBISMIE-VAWYXSNFSA-N	301.350	1.006	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1coc(C2CCOCC2)n1	495714447	AYNDCPXWGXGBJO-UHFFFAOYSA-N	311.338	1.738	50	20	DDGD	
O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1cc(B(O)O)ccc1F	584926437	OEVMQVFMQCHNSZ-YRGRVCCFSA-N	319.185	1.594	50	20	DDGD	
Cn1c(NNC(=O)[C@@]2(C)CCCCO2)nc2ccccc2c1=O	837420600	WPGMDXYPVRKQTA-MRXNPFEDSA-N	316.361	1.336	50	20	DDGD	
COC(=O)[C@H](C)[C@@H](NS(=O)(=O)CCl)c1ccccc1	830767639	AZWDBKTVFIHPBS-MWLCHTKSSA-N	305.783	1.653	50	20	DDGD	
CC(C)(C(N)=O)C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	833774643	ZJKRDPRDQZVMPI-UHFFFAOYSA-N	300.702	1.203	50	20	DDGD	
CCCN(Cc1ccc(F)cc1)[C@@H](C)C(=O)NNC(=O)CC	732199650	LGJIUPVBVUXSND-LBPRGKRZSA-N	309.385	1.984	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(C)s1	730577373	RIAXMZOKRVNSRF-SNVBAGLBSA-N	300.405	1.331	50	20	DDGD	
COCC[C@@H](C)NC(=O)NNc1ccc(C(=O)OC)cc1F	838118491	DPWNWJFKHPTKPK-SECBINFHSA-N	313.329	1.663	50	20	DDGD	
CN1CCCC[C@@H]1C(=O)NNC(=O)Cn1ccc2ccccc21	732288650	VLCFJAGTCRHTKL-OAHLLOKOSA-N	314.389	1.273	50	20	DDGD	
Cc1ccc(C(=O)N2CC[C@H](B(O)O)C2)cc1C(F)(F)F	585068212	YTRIPIQZJXDJQI-JTQLQIEISA-N	301.073	1.703	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc2cccnc2s1	838222205	JWGAYPBXJAODOE-MRVPVSSYSA-N	321.358	1.399	50	20	DDGD	
CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccccn1	735450810	DUAAYUYIOMBHEG-UHFFFAOYSA-N	307.317	1.416	50	20	DDGD	
Cc1c(NNC(=O)N[C@H]2CCN(C3CC3)C2)cccc1[N+](=O)[O-]	734279457	NAJMRPUGUVPTOB-NSHDSACASA-N	319.365	1.766	50	20	DDGD	
CC(=O)N(c1nc(C=NNC(=O)c2ccc[nH]2)cs1)C1CC1	734296111	GUAGCZBBVQOVOK-UHFFFAOYSA-N	317.374	1.750	50	20	DDGD	
N#Cc1cccc(NNC(=O)N[C@H]2C[C@H]3CCCCN3C2=O)c1	838744712	PWMCFYLJEBMURR-KGLIPLIRSA-N	313.361	1.338	50	20	DDGD	
CO[C@@H]1C[C@@H](NC(=O)NNC(=O)CC(F)(F)F)C12CCC2	838770273	WLSYPSMYFHUYII-HTQZYQBOSA-N	309.288	1.227	50	20	DDGD	
O=C(NNc1c(F)cccc1F)N[C@H]1C[C@@H]2CCCCN2C1=O	838746604	YUEVEGAHXUKXLI-CABZTGNLSA-N	324.331	1.744	50	20	DDGD	
O=C(NCC(Cl)Cl)[C@@H]1CCCN1Cc1ccccn1	837648352	GRCRHFAMPRUKNL-NSHDSACASA-N	302.205	1.966	50	20	DDGD	
Cc1ccc2[nH]c(C(=O)NNC(=O)[C@H]3CCCCO3)cc2c1	833255571	GLAPIKYMUDVYTE-CQSZACIVSA-N	301.346	1.806	50	20	DDGD	
O=C(O)COc1ccc(C(=O)NNc2nccnc2Cl)cc1	739824118	IRIQQDMPAXDVIE-UHFFFAOYSA-N	322.708	1.350	50	20	DDGD	
O=C(NN[C@H](C(=O)O)c1cccc(Cl)c1)c1ccccn1	739454047	OFRABXFBZKRJHR-LBPRGKRZSA-N	305.721	1.795	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccnn1C1CCCC1	833246791	RPJKQGMXXLXFCF-CYBMUJFWSA-N	306.366	1.328	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21	917180657	GSTCEPNVDYIWOM-UHFFFAOYSA-N	319.321	1.138	50	20	DDGD	
CNC(=O)C[C@H](C)NC(=O)NNc1cc(F)c(F)c(F)c1	838696611	FXSNCCIXXJFVRB-LURJTMIESA-N	304.272	1.255	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)c(Cl)c1)C(=O)NC1CC1	744817202	GIJNJEBZUWJTRG-UHFFFAOYSA-N	300.145	1.722	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@]1(C)C[C@H]1Br	910580427	HIVQGZPQTAXMMS-LDWIPMOCSA-N	301.144	1.102	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1	833102174	FEACXYPCLPEADQ-ZIAGYGMSSA-N	318.373	1.658	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H](C)c2ccco2)cc1OC	741515378	WMJFROQQGNWNCA-JTQLQIEISA-N	318.329	1.862	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@@H]2CSc3ccccc32)n1	740102913	RCVBZEJGYIXTNE-LLVKDONJSA-N	315.402	1.875	50	20	DDGD	
Cc1nc(N2CCOCC2)sc1C(=O)NN=Cc1cc[nH]c1	745194585	VUVCNWHDVXJMFQ-UHFFFAOYSA-N	319.390	1.380	50	20	DDGD	
NC(=O)C1(C(=O)NNc2ccc(OCC(F)(F)F)cc2)CC1	748701738	YGQOQKBINSGOSL-UHFFFAOYSA-N	317.267	1.336	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cnc(C)s2)cc1OC	748602549	SINJQNGALQHCTQ-UHFFFAOYSA-N	321.358	1.544	50	20	DDGD	
Cc1ccc2nc(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)ccc2c1	843657153	CFUIBUAQHPADJS-AAEUAGOBSA-N	313.357	1.729	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(F)c(F)cc1F	843662457	RDBLRAOCVFPZBA-NKWVEPMBSA-N	302.252	1.290	50	20	DDGD	
COc1nccnc1NNC(=O)[C@]1(c2ccccc2)C[C@H](O)C1	910580348	GLNXZEGOQHPYFC-DRQUAOQDSA-N	314.345	1.021	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NC[C@@H]1CCCN1	841936155	FQGHFSZJFSDSRU-AWEZNQCLSA-N	304.394	1.092	50	20	DDGD	
Cc1ccc2[nH]c(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)cc2c1	843975903	UPVILZWDEZLLIL-CMPLNLGQSA-N	301.346	1.662	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC[C@H](c2cccc(F)c2)C1	744397498	OCQVXJJBTDAWTP-ZDUSSCGKSA-N	321.396	1.809	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21	910063479	SFIIJAKZMZFLNS-DEISKOBYSA-N	322.405	1.404	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1cccc(OCC=C(C)C)c1	841385232	VADSEAJFRWUCMK-UHFFFAOYSA-N	305.378	1.924	50	20	DDGD	
C[C@@](O)(CC(=O)NNc1ncc(Br)cn1)C1CC1	848321246	MZMUXXGNPCXQQA-LLVKDONJSA-N	315.171	1.233	50	20	DDGD	
CC(=NNC(=O)c1ccc(-n2cnnn2)cc1)c1cccnc1	916351521	IZDGKEKJBKZHDX-UHFFFAOYSA-N	307.317	1.211	50	20	DDGD	
COc1cc(C)nc(NNC(=O)COCCc2ccccc2)n1	746627547	OCFQADUDOLEZRI-UHFFFAOYSA-N	316.361	1.496	50	20	DDGD	
NCC[C@H](NC(=O)NNc1ccccc1[N+](=O)[O-])C(F)(F)F	841331741	AEIOUOUWSQDSHM-VIFPVBQESA-N	321.259	1.501	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNc2ncc(Br)cn2)CCN1C	848322621	INDWHPFBWZKLRH-VXNVDRBHSA-N	314.187	1.022	50	20	DDGD	
C[C@H](NC(=O)NNc1c(F)cc(F)cc1F)C(=O)N(C)C	914169391	SDGOMOYOWSNSJL-LURJTMIESA-N	304.272	1.207	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNc1ncc(Br)cn1	848322491	DFEFREIAEADHDU-YUMQZZPRSA-N	317.187	1.601	50	20	DDGD	
COc1cccc(CCNC(=O)NNC(=O)CC(C)C)c1OC	918217940	PCCIIXGYCKZAOJ-UHFFFAOYSA-N	323.393	1.623	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(C)(C)C2CCC(O)CC2)o1	841407247	QFOPHQAOPLLGOF-UHFFFAOYSA-N	308.378	1.926	50	20	DDGD	
CC[C@H]1CN(CC(=O)NNC(=O)c2ccc(C)cc2)[C@@H](C)CO1	844390075	BPLUZSFGNATAGI-ZFWWWQNUSA-N	319.405	1.255	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@H](C)c1ccc(Br)s1	910164357	VHUYJRYAFZLPBG-SFYZADRCSA-N	321.240	1.958	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)C1(C(=O)NC2CC2)CCC1	846643294	MSDJSVHHHIZFFB-UHFFFAOYSA-N	321.352	1.726	50	20	DDGD	
C[C@@H]1NC(=O)[C@H](C)N(C(=O)[C@@H](Br)C(C)(C)C)[C@@H]1C	911793960	GKZVAMRZCSVRGM-QCLAVDOMSA-N	319.243	1.920	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCCc1nc(-c2cccs2)no1	910171566	XWBDHBBSIZDKPE-SNVBAGLBSA-N	324.406	1.465	50	20	DDGD	
COc1cc(F)cc(NNC(=O)Cc2nc(C3CC3)nn2C)c1	843834070	BGCYZSVQQSFYBP-UHFFFAOYSA-N	319.340	1.526	50	20	DDGD	
CCCC[C@H](CN)NC(=O)NNC(=O)COc1cccc(C)c1	841959280	PCNXYYJZLFMZQF-CYBMUJFWSA-N	322.409	1.222	50	20	DDGD	
Cc1cc(OC(C)C)ccc1NC(=O)NNC(=O)CCCN	841064227	WDEMDQXSQNSVAH-UHFFFAOYSA-N	308.382	1.674	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1nncc2ccccc12	842536051	ORIRIMVPYYBCNI-VIFPVBQESA-N	304.375	1.668	50	20	DDGD	
N#Cc1ccc(NNC(=O)Cc2cc[nH]n2)cc1C(F)(F)F	746894105	RYDCFLSXAYMXAH-UHFFFAOYSA-N	309.251	1.986	50	20	DDGD	
O=C(NNC(=O)c1ncccn1)Nc1cc2c(cn1)CCCC2	841721172	QURXEIFYBRQPOG-UHFFFAOYSA-N	312.333	1.217	50	20	DDGD	
CO[C@]1(C)CC(=NNC(=O)CNC(=O)c2cccnc2)C1(C)C	746578079	KJQKOCVPPFCVJX-MRXNPFEDSA-N	318.377	1.119	50	20	DDGD	
Cc1nn(C(C)C)cc1C(=O)NNC(=O)NCc1ccco1	847390091	BKSASWRUZRVFMW-UHFFFAOYSA-N	305.338	1.510	50	20	DDGD	
C=C[C@H](CC)CC(=O)NNC(=O)c1ccc2c(c1)OCCO2	929585918	IGQPUMSLNRHUID-LLVKDONJSA-N	304.346	1.821	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC[C@@H]1CCN1C)c1ccccc1	925415085	YFUXIRFGVMMQTA-KBPBESRZSA-N	304.394	1.215	50	20	DDGD	
CCCn1nc(C)c(C(=O)NNC(=O)c2c[nH]nc2C)c1C	759786207	WDHAXMRQSACKOG-UHFFFAOYSA-N	304.354	1.016	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)C2(N(C)C)CC2)c(Cl)c1	854379559	GFMWXGBIRJJTRL-UHFFFAOYSA-N	310.785	1.895	50	20	DDGD	
CCN1CCO[C@H](C(=O)OC[C@H](CBr)C2CC2)C1	859571324	PVFJXWRYJFCKFO-RYUDHWBXSA-N	320.227	1.671	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@@H](C)CN1CCN(C)CC1	853694031	LLUMQVFLLGRPRU-ZDUSSCGKSA-N	323.416	1.396	50	20	DDGD	
O=C(NCC1CC1)NN=Cc1ccc(N2CCOCC2)s1	920829328	PTOQLRJLLGGGSU-UHFFFAOYSA-N	308.407	1.628	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)NCCc2cccs2)c(C)n1	858781384	GMKAMPYWBREDIH-UHFFFAOYSA-N	321.406	1.460	50	20	DDGD	
O=C(NNC(=S)NC[C@@H]1CCCCO1)NC1CCCC1	758215838	XILPCMCESGURGV-NSHDSACASA-N	300.428	1.176	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc2c(c1)ncn2C)C1CC1	855097542	SEJDPGSBMHKULO-SECBINFHSA-N	317.418	1.481	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2nc3ccc(Cl)cc3s2)CCN1	856234114	MYFYKRVIESOBQZ-SSDOTTSWSA-N	324.793	1.919	50	20	DDGD	
CCc1nc(C=NNC(=O)NCCCOC)c2ccccn12	755674662	ZVDPSGJRJKXWFI-UHFFFAOYSA-N	303.366	1.566	50	20	DDGD	
CNC(=O)CC1(CNC(=O)NNC(=O)C(C)C)CCCCC1	852651654	HWYUFRWCEPVJNH-UHFFFAOYSA-N	312.414	1.059	50	20	DDGD	
CC(C)[C@H](NC=O)C(=O)NNC(=O)c1ccc(Cl)cc1F	859830011	XRUNNOFXDHKAFW-NSHDSACASA-N	315.732	1.011	50	20	DDGD	
CCc1c(C(=O)NNC(=O)NCC2CC2)cnn1CCC(C)C	756812976	SOBHYVAYOOJUJI-UHFFFAOYSA-N	321.425	1.846	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)c1ccc(-n2cnnc2)cc1	857532942	AMGWPGLVYMOTEU-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)C(C)(C)C)c1csnn1	853408283	PEBRHROLFBHLIZ-UHFFFAOYSA-N	311.411	1.321	50	20	DDGD	
C=CCCOCC(=O)NNC(=O)c1cc2ccccc2cc1O	920433719	NEASPRIIRFHLMI-UHFFFAOYSA-N	314.341	1.899	50	20	DDGD	
CCC[C@H](O)C(=O)NNC(=S)Nc1ccc(OCC)cc1	929245570	WWKOPYBMIWYMOK-LBPRGKRZSA-N	311.407	1.564	50	20	DDGD	
COc1coc(C(=O)NC[C@]2(C)C[C@H]2Br)cc1=O	857387531	JLOKYMBUVKYLJY-PWSUYJOCSA-N	316.151	1.552	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)/C=C\c1cccc(O)c1	854284003	SOKLVSWCIHYYME-FPLPWBNLSA-N	323.418	1.279	50	20	DDGD	
CCCn1nccc1C=NNC(=O)COc1ccccc1C#N	853271502	FPIAQTBEAPITOA-UHFFFAOYSA-N	311.345	1.694	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C[C@@H]1CCC[C@H]1C	854283771	KBJZRQVUKFYFRV-NEPJUHHUSA-N	301.456	1.687	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=S)NCC2CCC2)c(O)n1	855091266	JEFJDIZUSCGGDL-UHFFFAOYSA-N	308.407	1.313	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC12CCSCC2)OCC(F)(F)F	856027221	DPALJMZHIJEQTK-ZETCQYMHSA-N	312.313	1.839	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)CCc2ccccc2O)[nH]1	857119169	ZAEAZINKZSLWRS-UHFFFAOYSA-N	302.334	1.126	50	20	DDGD	
CCC(C)(C)N(C)CC(=O)NNC(=O)c1cccc(C#N)c1	756594171	LRSPTQOYMFFOQG-UHFFFAOYSA-N	302.378	1.440	50	20	DDGD	
O=C(CN1CC[C@H]2C[C@H]2C1)NNC(=O)c1ccccc1Cl	852633722	DFVPRNHUUUKTOD-QWRGUYRKSA-N	307.781	1.443	50	20	DDGD	
C[C@]1(CNC(=O)NCCC2(O)CCC2)C[C@@H]1Br	856856239	REIHIMOLBZEOCK-GXSJLCMTSA-N	305.216	1.764	50	20	DDGD	
CCOC(=O)[C@@H]1NCC[C@@H]1NC[C@@]1(C)C[C@@H]1Br	857253522	ODFVRZZZAZOKNH-UXCLJVHYSA-N	305.216	1.043	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H](C)CC(N)=O)c1C	854186572	OGKRFKDQOFVOEL-SECBINFHSA-N	308.407	1.133	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)c1)N[C@H]1CC[C@H](O)CC1	753713562	GERBPQZTQRVBDP-HAQNSBGRSA-N	311.769	1.588	50	20	DDGD	
COc1nccnc1NNC(=O)CC[C@@H]1CC1(Cl)Cl	854953801	VWEQVOGALNNCSY-SSDOTTSWSA-N	305.165	1.902	50	20	DDGD	
Cn1cc(CCC(=O)NC[C@@]2(C)C[C@@H]2Br)cn1	857397908	JMSPKAWPYLQFEW-CMPLNLGQSA-N	300.200	1.642	50	20	DDGD	
O=S(=O)(NCC(Cl)Cl)c1cccc2c1OCCO2	867471395	IHWXDJBNOKFAHX-UHFFFAOYSA-N	312.174	1.540	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCN2C(C)(C)C)c(O)c1	862992051	BCNNHVAICIEPQM-LBPRGKRZSA-N	305.378	1.334	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNC(=O)c2cn[nH]c2)cc1	862471955	DEGIPFOPSWQZSE-UHFFFAOYSA-N	302.334	1.157	50	20	DDGD	
CC(C)n1nnc(NC(=O)NNc2c(F)cc(F)cc2F)n1	933453088	MEMBZCXPWPFNAQ-UHFFFAOYSA-N	315.259	1.820	50	20	DDGD	
CN(NC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1)c1ccccc1	761040324	FDSLJSAGZUZPHV-UHFFFAOYSA-N	323.356	1.352	50	20	DDGD	
Cc1cc(C)c(C=NNC(=O)[C@H](C)CN2C[C@@H](C)O[C@H](C)C2)[nH]1	760243462	ZQHMUUDHFMPKCT-BPLDGKMQSA-N	320.437	1.827	50	20	DDGD	
COc1cc(C)c(NC(=O)NNC(=O)c2cn[nH]c2)c(C)c1C	861115542	YRFFMDKHEUTSAP-UHFFFAOYSA-N	317.349	1.810	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(CC(C)C)s1	930733364	PRALSKLVJZYJQI-UHFFFAOYSA-N	313.423	1.927	50	20	DDGD	
CC(C)C1(C(=O)NNc2nnc(-c3ccccn3)s2)COC1	935590824	RVPOPVOZHBBEFK-UHFFFAOYSA-N	319.390	1.716	50	20	DDGD	
O=C(NC[C@@H]1COCCN1)NNc1ccccc1C(F)(F)F	861679579	AJXBXJKDFIDXDC-SECBINFHSA-N	318.299	1.320	50	20	DDGD	
O=C(NNC(=O)c1ccc(O)nn1)Nc1ccc(Cl)cc1	765312314	CYFRLEZCTLDRPZ-UHFFFAOYSA-N	307.697	1.302	50	20	DDGD	
CCC(O)(CC)CN(C)[C@@H](C)C(=O)NNC(=O)CC(C)C	860065709	NBFDIGFRUZIHSF-LBPRGKRZSA-N	301.431	1.051	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2(F)CCOCC2)c(F)c1	868819917	LCJRPFJTYOUING-UHFFFAOYSA-N	314.288	1.574	50	20	DDGD	
CC(C)N1CC[C@H](NS(=O)(=O)CC(C)(C)CCl)C1=O	866792015	QKKKHCBLGZBGHT-JTQLQIEISA-N	310.847	1.180	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNC(=O)Nc1ccc(Cl)cc1	868119228	MINIOQUZEDSXSI-NSHDSACASA-N	312.757	1.407	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccnc1)c1cccc(C#N)c1	763198674	IFBFFLZVGHVVAD-UHFFFAOYSA-N	321.340	1.223	50	20	DDGD	
CC(=O)c1cccc(C(=O)NNC(=O)c2ccc(C)cc2O)c1	767882297	DTZIFZJKWKDUSU-UHFFFAOYSA-N	312.325	1.978	50	20	DDGD	
CCc1cccnc1C(=O)NNC(=O)c1cccc(OC)c1O	766556244	PQMLACLJMVIWNU-UHFFFAOYSA-N	315.329	1.433	50	20	DDGD	
O=C(NCc1ccc(F)cn1)NNC(=O)c1ccccc1O	764376037	FLQIQJLLSOAWQO-UHFFFAOYSA-N	304.281	1.071	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)c1cnn(C)c1C	871179527	OLHTUBZQULPIAL-UHFFFAOYSA-N	319.390	1.369	50	20	DDGD	
COc1cc(C(=O)NNc2ncccc2[N+](=O)[O-])ccc1F	764323757	GPTDAGKHSDQZPD-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc(O[C@@H](C)C#N)cc1	872402609	ILQURBZGJFTPLN-LBPRGKRZSA-N	305.334	1.091	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1ccc(OC(F)F)cc1	872402866	PHMRWLGHZFNDHY-UHFFFAOYSA-N	316.304	1.791	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1coc(-c2cccs2)n1	875035469	IVNWHLFCAHMISU-UHFFFAOYSA-N	310.335	1.816	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2c(Cl)nc(OC)n2C)cc1	1117702321	UCMPUDGGUHBWRM-UHFFFAOYSA-N	322.752	1.855	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@H]2C[C@@H](O)C2)c1	873751774	NLALLSNWQYXGRG-BETUJISGSA-N	320.389	1.416	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN[C@H](c2ccc(OC)cc2)C1	870142507	KZOOJSZFBPWDEV-HECSCLNYSA-N	315.373	1.612	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(Cn2cccn2)cc1	878470382	SDXSFBXVSLGAMY-UHFFFAOYSA-N	303.366	1.546	50	20	DDGD	
CC(=O)N1C[C@H](C(=O)NNc2ccccn2)Oc2ccccc21	777472495	MIRYBHDNQMLLRP-CQSZACIVSA-N	312.329	1.339	50	20	DDGD	
COC(=O)C[C@@]1(NC[C@@H](C)CBr)CCCOC1	770703668	ZCGMTTHFAYWDSA-JQWIXIFHSA-N	308.216	1.719	50	20	DDGD	
CCc1c(C(=O)NNc2ccnc(Br)c2)cnn1C	771535793	WJVSKQHKPLBBAE-UHFFFAOYSA-N	324.182	1.897	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@H](C)Cn2ccnc2C)cc[nH]1	875189336	SQTUOJOLBIDVDZ-NSHDSACASA-N	302.382	1.279	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C2CCN(C)CC2)cc1C	873764032	SRKYWOAWAUVSCV-UHFFFAOYSA-N	320.462	1.963	50	20	DDGD	
CCC(C)(C)NC(=S)NNC(=O)[C@H](C)CN1CCCCC1	774149593	JZYPQCVLFNKTLX-GFCCVEGCSA-N	314.499	1.792	50	20	DDGD	
O=C(NNC(=O)[C@H](O)Cc1ccccc1Cl)c1ccncc1	771837501	BVARTMNOEAJVCL-CYBMUJFWSA-N	319.748	1.100	50	20	DDGD	
CS(=O)(=O)Cc1cccc(NC(=O)NNc2ccccn2)c1	770340075	TYHLIRIPBQRCCD-UHFFFAOYSA-N	320.374	1.775	50	20	DDGD	
Cn1ncc([N+](=O)[O-])c1C(=O)NNc1nccc2sccc12	777521537	HJVAOYXSSYVSMP-UHFFFAOYSA-N	318.318	1.695	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)n1	776159881	WEIRBYWEFZASPR-UHFFFAOYSA-N	323.696	1.809	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCC2CC2)nn1[C@H](C)C1CC1	777372566	VJCHLNOVEPDLNU-SNVBAGLBSA-N	305.382	1.517	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@H](c1ccccc1C)C1CC1	776022976	DCOBMWLEMVZDHM-WBMJQRKESA-N	303.406	1.982	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc2ncsc2c1	883058863	DPSFPPDYTRJHMC-UHFFFAOYSA-N	305.359	1.484	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccncc2C)c1	770210465	XYOXURSCTSDBBJ-UHFFFAOYSA-N	313.357	1.847	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1cccc(OC)c1O)C(F)F	881015037	UUVAOCFJFXYIIG-QMMMGPOBSA-N	317.292	1.389	50	20	DDGD	
O=C(NNC(=O)[C@@H]1SCCc2ccccc21)C1CCOCC1	883064604	JBIFRPKNPGGWRB-CQSZACIVSA-N	320.414	1.591	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)C2CCOCC2)c(C)c1	883519804	CKHCMCPMIXYVQI-UHFFFAOYSA-N	321.377	1.261	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(F)ccc1F)[C@H](C)S(C)(=O)=O	885142463	BUWPDKURGSWMNZ-SFYZADRCSA-N	306.334	1.477	50	20	DDGD	
CS(=O)(=O)CCCCCNS(=O)(=O)CCCCCl	780849682	QFMONPBWCYQOMW-UHFFFAOYSA-N	319.876	1.140	50	20	DDGD	
CCC[C@@H](CCCS(C)(=O)=O)C(=O)NNC(=O)CC(C)C	789889147	GQVSZYQZROWPGR-LBPRGKRZSA-N	320.455	1.421	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cc(Cl)cc3c2OCC3)n[nH]1	782900800	WGIQUPMBKSXZNN-UHFFFAOYSA-N	318.764	1.999	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCc2ccc(O)nc2)c(O)c1	787877430	LIYMBEZPXVLVKA-UHFFFAOYSA-N	315.329	1.195	50	20	DDGD	
CC(=O)Nc1cccc(C(=O)NNC(=O)CC(F)(F)F)c1C	785408131	BJPAJDKZAAWLHL-UHFFFAOYSA-N	317.267	1.667	50	20	DDGD	
N#C/C(=C/c1cn(Cc2ccccc2)nn1)C(=O)N1CCCC1	899337614	HUYJDXTWMPHDOY-GDNBJRDFSA-N	307.357	1.856	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)COCC2CC2)c1	788255859	PUYVKYNAADRVOU-UHFFFAOYSA-N	306.366	1.650	50	20	DDGD	
COC1(CNC(=O)NNC(=O)c2cnn(C)c2)CCCCCC1	898941507	SICWYUREALQHFD-UHFFFAOYSA-N	323.397	1.104	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2nc3ccccn3n2)c2ccccc21	791252070	HEOYNRBIKMQEOZ-GFCCVEGCSA-N	307.313	1.543	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCN(C[C@@H](CBr)C2CC2)C1	701845357	NPVRXPZVVMCISO-VXGBXAGGSA-N	324.284	1.917	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CO[C@@H]2CCCC[C@H]2C)n1	794088044	VCYGMRKUKAYZBS-BXUZGUMPSA-N	305.378	1.746	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cnn(-c2cccnc2)c1	899996609	OEWRJDOJPBYVGW-UHFFFAOYSA-N	318.406	1.175	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(F)c(F)c(O)c1F	798304263	CUEVHCKGNVZVJK-UHFFFAOYSA-N	305.281	1.104	50	20	DDGD	
C=C(CBr)COC(=O)c1cnc(C(=O)OC)cn1	795589605	WFJLKGLJDGJXNI-UHFFFAOYSA-N	315.123	1.371	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCc2ccc(C#N)cc2)n1	792810166	TVKVADGVGNGODJ-UHFFFAOYSA-N	309.329	1.406	50	20	DDGD	
CC(C)(C(=O)NNS(=O)(=O)c1ccoc1)c1ccccc1	795317834	SGICCRYOMWJUFR-UHFFFAOYSA-N	308.359	1.567	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1ccnn1C(C)C	792380654	YMPNOWXYNPLSBT-UHFFFAOYSA-N	302.338	1.249	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCC(c2nc(C)no2)CC1	797401843	PVAZWEDWYYQPNM-NUHJPDEHSA-N	324.381	1.559	50	20	DDGD	
O=C(CNC(=O)c1cc(Cl)ccn1)NNc1ccccc1F	1319484436	VSEPMWVPRLYFFQ-UHFFFAOYSA-N	322.727	1.747	50	20	DDGD	
Cn1ccnc1CNC(=O)NNc1ccc(C(C)(C)C)nn1	1318600193	UBSBUKVCEQJHHC-UHFFFAOYSA-N	303.370	1.334	50	20	DDGD	
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CCl)cc1	1319682772	XDNPXAQCGSFBNI-UHFFFAOYSA-N	302.783	1.670	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)nn1C	1320085583	XKUNIQZGOUAGCR-UHFFFAOYSA-N	320.780	1.640	50	20	DDGD	
CC(C)[C@H](C#N)C=NNC(=O)c1nn(C)c(=O)c2ccccc12	1324298257	KPUYCTCNTZXGSY-LLVKDONJSA-N	311.345	1.445	50	20	DDGD	
Nc1cnnc(NNC(=O)NC[C@H]2CCCCS2)c1Cl	1320074295	UTBUUOBLWMMBST-SSDOTTSWSA-N	316.818	1.624	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2Cl)C1	1325008837	VGVGKQNDGNNPBG-AOOOYVTPSA-N	311.769	1.852	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNc1cccc(Br)n1	1324698717	XLHHNKUQBGPDFN-UHFFFAOYSA-N	324.182	1.897	50	20	DDGD	
C[C@H]1CN(Cc2ccccc2)CC1=NNC(=O)c1cccnn1	1331983395	LXEVZQFWOCTUJZ-ZDUSSCGKSA-N	309.373	1.714	50	20	DDGD	
CSc1cc(Cl)ccc1NC(=O)NNC(=O)CCO	1261675355	ZLRCOVSOMACHAO-UHFFFAOYSA-N	303.771	1.597	50	20	DDGD	
Cn1ccc(NNC(=O)Cc2cc(Cl)cc3c2OCC3)n1	1261383141	DXWGBYDZPCYFBJ-UHFFFAOYSA-N	306.753	1.694	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1nc2c(s1)COCC2	1341140755	ZTKSAGQFFZJIDF-UHFFFAOYSA-N	308.363	1.172	50	20	DDGD	
CN(CCCF)C(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1350492979	FFPUDTMAXTXSSC-KCJUWKMLSA-N	309.179	1.094	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@@H]3C[C@H](C)CN3C2)o1	1528017321	MFRXMIKVBXZBON-CYZMBNFOSA-N	305.378	1.469	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2cc3n(n2)CCCO3)cc1	1602128924	GCSRNWDRDFAONJ-UHFFFAOYSA-N	316.317	1.050	50	20	DDGD	
C#CCC(CC#C)C(=O)NNc1ccc(C(=O)O)cc1OC	1602684162	YKOPGMYFVAZOMK-UHFFFAOYSA-N	300.314	1.499	50	20	DDGD	
O=C(O)c1cc(C(=O)NNc2cc(Cl)nc(Cl)c2)on1	1602247500	VPYBRGOFKDYCCL-UHFFFAOYSA-N	317.088	1.832	50	20	DDGD	
Cn1cc(NC(=O)NNc2ccc(Cl)nn2)cc1C(=O)O	1608119247	DESSEXWVJZEXGY-UHFFFAOYSA-N	310.701	1.315	50	20	DDGD	
O=C(O)C(=O)NN=C1C(=O)N(Cc2ccccc2)c2ccccc21	1601637700	IOEHYZNCMUPZMF-UHFFFAOYSA-N	323.308	1.138	50	20	DDGD	
C[C@H]1CCNC[C@H]1NC(=O)NNc1ccc(F)c(C(=O)O)c1	1609862090	HKQWRPZWYWWXOW-QPUJVOFHSA-N	310.329	1.148	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)C(=O)O)c2cccc(Br)c21	1609837891	CHPDJBWKKDLSOH-ZCFIWIBFSA-N	311.135	1.861	50	20	DDGD	
C=C(C)COC(=O)/C(C#N)=C\c1cc(-c2nn[nH]n2)n(C)c1C	1602762814	JPMFJHJPCNBABM-XGICHPGQSA-N	312.333	1.540	50	20	DDGD	
Cc1cc(C=NNC(=O)NCC(=O)O)ccc1Br	1600185858	YBLGYPHDQOMNDM-UHFFFAOYSA-N	314.139	1.475	50	20	DDGD	
CO[C@@H](C(=O)O)C(=O)NNc1cc(Br)ccc1F	1604435502	VZAAROUCLYRWJI-MRVPVSSYSA-N	321.102	1.131	50	20	DDGD	
Cn1cc(CCNC(=O)NNc2ccc(C(=O)O)c(F)c2)cn1	1610603487	HXVXVVVHHLIKLE-UHFFFAOYSA-N	321.312	1.126	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@H]1C(=O)NN=C1COCC1(C)C	1549312250	BAYXSPVRTOFRQR-RISCZKNCSA-N	320.393	1.416	50	20	DDGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)[C@H]1CCNC1	1574302715	NCJJTYSEVXRXFP-VIFPVBQESA-N	313.810	1.189	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)C23CC(CN2)C3)cc1	1575272161	FCLJQKXQQRIMMJ-UHFFFAOYSA-N	301.390	1.497	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H]1C[C@]12CCNC2	1578851821	XWFIJZVVGINXTK-VFZGTOFNSA-N	307.325	1.055	50	20	DDGD	
Cc1cc(NNC(=O)C2=NO[C@@]3(CCCNC3)C2)ccc1Cl	1579635220	ASNYNMQXJBZUEM-HNNXBMFYSA-N	322.796	1.990	50	20	DDGD	
C[C@H]1Cn2nc(C(=O)NN=c3cc[nH]c4ccccc34)cc2CN1	1576871160	MCENVWQUYPOKSP-NSHDSACASA-N	322.372	1.102	50	20	DDGD	
CN(N)C(=O)c1cccnc1SCc1ccc(C(N)=O)cc1	1573882449	IIDHUTBGDOPFEW-UHFFFAOYSA-N	316.386	1.419	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C[C@H]2C=CCC2)o1	1589774943	ODDKQNQQTURFCQ-VIFPVBQESA-N	317.353	1.778	50	20	DDGD	
CC(C)[C@@H](C(=O)O)C(=O)NNc1ncccc1Br	1588807977	HDMYOKYIGSGQBN-MRVPVSSYSA-N	316.155	1.644	50	20	DDGD	
N#C[C@@H]1CNCC12CC(C(=O)NNc1ccccc1[N+](=O)[O-])C2	1580044166	WXTHWEBVHWNEIU-LOIXOFCESA-N	315.333	1.177	50	20	DDGD	
COCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)CCl	1847435510	JBZQNLPHCLLHEO-QWRGUYRKSA-N	302.802	1.100	50	20	DDGD	
N[C@H](C(=O)NNC(=O)c1ccccc1)c1c(F)cccc1F	1580115020	JGVZDRDQTMDQLY-ZDUSSCGKSA-N	305.284	1.426	50	20	DDGD	
COCn1ccc(C(=O)NNc2ccc(F)c(C(=O)O)c2)n1	1599309206	WEQANELHVDGSBL-UHFFFAOYSA-N	308.269	1.081	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNc1ccc(-c2nn[nH]n2)cn1	1592917008	QOBYJSVBSNFSCK-UHFFFAOYSA-N	313.296	1.087	50	20	DDGD	
CSC1(C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)CC1	1591689397	DBCRJXHTWCLQHH-UHFFFAOYSA-N	323.382	1.317	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)[C@@H]1C	1590180764	JBJJNYJHBZIHPR-NXEZZACHSA-N	314.349	1.394	50	20	DDGD	
CON1CCC(CC(=O)NNc2ccc(CC(=O)O)cc2)CC1	1599319179	VRAJFHNWLBWRQE-UHFFFAOYSA-N	321.377	1.420	50	20	DDGD	
COc1cc(C(=O)NNc2ccc(CC(=O)O)cc2)ccn1	1599355505	XTQUVFATAYQNHV-UHFFFAOYSA-N	301.302	1.474	50	20	DDGD	
C[C@H]1C(=NNC(=O)c2ccc(O)nn2)CC[C@H](C(=O)O)C1(C)C	1776047694	BQXCMDRBNAEBFH-DTWKUNHWSA-N	320.349	1.425	50	20	DDGD	
CC(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Cl)C[C@@H]21	1786352248	DPOLDPNWBWUSHE-FIQHERPVSA-N	320.792	1.157	50	20	DDGD	
C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](Cl)CC)CCO2	1783917582	LNZCZSCTZKZITR-DOMZBBRYSA-N	314.813	1.410	50	20	DDGD	
CC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2	1795157416	MFJWAADFEJBUTD-LMLFDSFASA-N	320.792	1.157	50	20	DDGD	
O=C(CN1CCc2ccccc21)NNC(=O)c1ccc(F)cc1	18708887	YYFLIMPVSDZCQX-UHFFFAOYSA-N	313.332	1.649	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCOc2ccc(F)cc2)[nH]n1	152977190	DHTALRBVLOLZRW-UHFFFAOYSA-N	306.297	1.087	50	20	DDGD	
O=C(Cn1cc(C(F)(F)F)ccc1=O)NNc1ccccn1	155840351	GHCRNVHIOQBGAO-UHFFFAOYSA-N	312.251	1.405	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(N)c([N+](=O)[O-])c2)nc1	159423839	ZGISXLSHKDDUDB-UHFFFAOYSA-N	303.278	1.338	50	20	DDGD	
COc1ccnc(NNC(=O)CCCc2nc(C3CC3)no2)n1	159625980	SVZSEWJCHUOBRJ-UHFFFAOYSA-N	318.337	1.212	50	20	DDGD	
CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)CC(C)(C)CCl)C1	866985927	NGBZVSSSPLCNID-QWHCGFSZSA-N	322.902	1.997	50	20	DDGD	
CN(C)C(=O)O[C@@H]1CCN(CCI)C1	495973471	XHJZVLBBUDGAGF-MRVPVSSYSA-N	312.151	1.194	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cnn(Cc2ccccc2)c1	10160976	QXPORGBFCPAJHQ-UHFFFAOYSA-N	300.362	1.739	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)[nH]n1	54126754	JSHDDWXEPIMHGE-LBPRGKRZSA-N	316.361	1.563	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc3ccccc3cc2O)on1	52818931	MRYXYYGHTUZBBL-UHFFFAOYSA-N	311.297	1.917	50	20	DDGD	
C[C@@](O)(CNC(=O)NNC(=O)c1ccccc1)c1ccccc1	114516607	YZTALUHMOQIOCG-QGZVFWFLSA-N	313.357	1.538	50	20	DDGD	
O=C(CCc1ccccc1O)N/N=C1/C(=O)Nc2ccccc21	59159742	PLZDZQNUCMXAQB-UHFFFAOYSA-N	309.325	1.797	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cccc(Cl)c2[N+](=O)[O-])cn1	176629361	MTOKCKNPRNRWOT-UHFFFAOYSA-N	323.696	1.057	50	20	DDGD	
C[C@H]1CCCC[C@@H]1CNC(=O)NNC(=O)Cc1cccnc1	170887903	WBTPWLMBFXAMBB-GXTWGEPZSA-N	304.394	1.781	50	20	DDGD	
CCC[C@@H](C(=O)NNC(=O)NCCCOC)c1ccccc1	68461533	XTMFNYQGABWFDA-CQSZACIVSA-N	307.394	1.937	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccc2nccn2c1	171158387	SOLKEDCCIOBKBK-UHFFFAOYSA-N	324.340	1.347	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cc1	68194839	SBNNKYWVQHAREX-KBPBESRZSA-N	319.405	1.255	50	20	DDGD	
O=C(NNC(=O)c1cccc(-n2cccc2)c1)c1cccnc1	27766527	YTBGASFMBYHIQG-UHFFFAOYSA-N	306.325	1.947	50	20	DDGD	
Cc1cnn(CCNC(=O)NNC(=O)c2ccc(C)s2)c1	118079939	WVRCIKFMXDORRP-UHFFFAOYSA-N	307.379	1.206	50	20	DDGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)C1=COCCO1	112693083	NTZIRLSZECPBGF-UHFFFAOYSA-N	322.708	1.721	50	20	DDGD	
O=C(CNC(=O)c1ccccc1)NNc1cc(F)c(F)c(F)c1	175501081	TYEWQICFVNKAJF-UHFFFAOYSA-N	323.274	1.977	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@@H]2C[C@H]2C2CC2)cc1	175527430	DSOWSTOBQQKPSJ-UONOGXRCSA-N	302.378	1.951	50	20	DDGD	
Cn1nccc1C(=O)NNC(=O)c1cccc(Br)c1	174536666	RCPGJHOXZSVZEZ-UHFFFAOYSA-N	323.150	1.257	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)ncn1	172279850	CQBDEVRHIKGJBB-LLVKDONJSA-N	315.308	1.493	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCN(CC2CC2)CC1	188227480	LXTOUXUVLNRMGN-LFIBNONCSA-N	311.385	1.853	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCCN(c2nc(C)ns2)CC1	178969806	WOBJDDDAOZYMLE-ZRDIBKRKSA-N	321.406	1.329	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)CCC(F)(F)F)cn1	173389441	NVPXPYJQQPEWIM-UHFFFAOYSA-N	322.312	1.750	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)C1=Cc2ccccc2OC1	121039442	SQLPLBCNXRSOCO-UHFFFAOYSA-N	308.301	1.272	50	20	DDGD	
COc1ccccc1NC(=O)C(=O)NNc1ccc(F)cc1	181355782	LBFVKGZRYCRULI-UHFFFAOYSA-N	303.293	1.916	50	20	DDGD	
CC(C)C[C@H](C)CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	76710555	OCZCYJLZDHTZIF-QWHCGFSZSA-N	304.456	1.551	50	20	DDGD	
CC(C)[C@H]1CCC[C@H](NC(=O)NNC(=O)c2cnn(C)c2)CC1	187447052	MALKEDMTSQGZAA-JSGCOSHPSA-N	321.425	1.969	50	20	DDGD	
O=C(NNc1ncccn1)C(=O)Nc1cc(F)ccc1Cl	120038206	UHAKLRDXPNCKDA-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@H]1CCCc2sccc21	125604434	VHSHFORXPVVCDB-ZDUSSCGKSA-N	315.398	1.953	50	20	DDGD	
Cc1ccc2cccc(NC(=O)NNC(=O)Cc3cc[nH]n3)c2n1	185069815	MPCOZDHGXPASRS-UHFFFAOYSA-N	324.344	1.662	50	20	DDGD	
C[C@H]1Cc2ccccc2N1CCNC(=O)NNc1cccnn1	77574980	GPBSBUKJGRYCBE-LBPRGKRZSA-N	312.377	1.554	50	20	DDGD	
O=C(NNC(=O)c1cccc2ncccc12)c1cncc(F)c1	128995925	RVDDRPBXUQIJEI-UHFFFAOYSA-N	310.288	1.844	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1c(OC)cccc1OC	121789146	SEMXMPOGGRYOPY-ZRDIBKRKSA-N	304.346	1.763	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(-n2cnc3ccccc32)cc1	139247430	WURZYXOKYKKKGX-UHFFFAOYSA-N	323.356	1.989	50	20	DDGD	
COc1ccc(NNC(=O)c2cn(Cc3ccccc3)nn2)nc1	187455690	YOSCOTPOUDETNN-UHFFFAOYSA-N	324.344	1.487	50	20	DDGD	
C#CCN1CCC(C(=O)NNc2ncnc3ccsc23)CC1	132397947	WQBSLKUAYHWLHQ-UHFFFAOYSA-N	315.402	1.480	50	20	DDGD	
O=C(NNc1ccc(Br)c(F)c1)C1(O)CCC1	187582520	BOPXLKBWJZCEPH-UHFFFAOYSA-N	303.131	1.946	50	20	DDGD	
CC[C@@H](C)[C@@H](C)NCC(=O)NNC(=O)Cc1nc(C)cs1	183040517	XJZOWPSQEYYOFZ-MWLCHTKSSA-N	312.439	1.166	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)CCCOC	42215630	ZLIOATWPCVJKBA-UHFFFAOYSA-N	310.350	1.038	50	20	DDGD	
O=C(NNC(=O)c1cccc(OCC(F)F)n1)c1ccccc1	89598787	XGEGJQYMHZNDHG-UHFFFAOYSA-N	321.283	1.800	50	20	DDGD	
CCCCn1ncc(C(=O)NNc2cc(Cl)nc(N)n2)c1C	133961253	UQAJYIAEDRAOSO-UHFFFAOYSA-N	323.788	1.774	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2cn[nH]n2)c1	80207485	DSBSWZKRLADMMB-UHFFFAOYSA-N	317.349	1.077	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccnc(F)c2)cc1C	190297310	ZPTQHGRBRRMLET-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(=O)N2CCCC2)c(C)n1C(C)C	132282100	MCHXENMLQCLKSY-UHFFFAOYSA-N	320.393	1.069	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc(F)c(F)cc1Br	130745697	UYFFPGRJSPFJAX-UHFFFAOYSA-N	322.109	1.643	50	20	DDGD	
Cc1ccnc(NNC(=O)Cc2ccc(-n3cnnn3)cc2)c1	88422423	WYFHMDABFRXXKU-UHFFFAOYSA-N	309.333	1.052	50	20	DDGD	
CCC(=O)N1CCC[C@@H](C(=O)NNc2nc(C)cc(C)n2)C1	47304215	RDBDFVCMWZYDFH-GFCCVEGCSA-N	305.382	1.185	50	20	DDGD	
C/C=C(/CC)C(=O)NNC(=O)c1csc(N2CCOCC2)n1	190007231	MSGWDSJNGPPQOD-KMKOMSMNSA-N	324.406	1.097	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cccn1C(C)C	91821628	QGZMUKAIIRMBMH-UHFFFAOYSA-N	300.453	1.541	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@H]1CCSC1	266636696	XMKAPTJVFKVNKQ-NSHDSACASA-N	309.391	1.074	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H](SC)c1ccccc1	265851393	XKPDVXYVYXZCQG-LBPRGKRZSA-N	311.407	1.458	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cc(N2CCOCC2)ccn1	269051015	VMIQKGPAEXNKNM-UHFFFAOYSA-N	322.365	1.088	50	20	DDGD	
Cc1cc(F)cc(S(=O)(=O)NNC(=O)NC2CCCC2)c1	267053742	OCQAVJGVVOZXGQ-UHFFFAOYSA-N	315.370	1.569	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cccc(OCC(F)(F)F)c1	269286053	RFSSDASBIDGYMM-UHFFFAOYSA-N	302.252	1.799	50	20	DDGD	
COCCCCC(=O)NNC(=O)CNc1cccc(OC)c1	264029033	RHKSLQBBUWKVEX-UHFFFAOYSA-N	309.366	1.071	50	20	DDGD	
COCCNC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	266286301	ICAOPOBJIPPZFL-UHFFFAOYSA-N	318.280	1.270	50	20	DDGD	
CC[C@@H](C(=O)NNc1nc(-c2ccncc2)no1)N(CC)CC	266825038	KJYIOXLEUOZSJK-LBPRGKRZSA-N	318.381	1.695	50	20	DDGD	
COc1ccc2c(c1)N(S(=O)(=O)CBr)CCO2	272835499	RUTZGENJKBRQSU-UHFFFAOYSA-N	322.180	1.576	50	20	DDGD	
CO[C@]1(C)CCCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1	279284284	KLTNCQQRHRNIRR-MRXNPFEDSA-N	323.368	1.088	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@H]2CCCOCC2)c1	271887615	JGFAJHSGMHHOGD-ZDUSSCGKSA-N	321.377	1.273	50	20	DDGD	
CCCCOc1ccccc1NC(=O)C(=O)NNC(=O)OC	274264293	XZTXXWLDDVQHQT-UHFFFAOYSA-N	309.322	1.191	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@H](C)Oc1ccccc1	271249932	JAQNZPNNQLYXNP-JTQLQIEISA-N	313.448	1.312	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1F	363759660	XYROJOAIROKPBW-BMSUMIBZSA-N	317.320	1.269	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)[C@H]1CCCN1C1CC1	279133165	YINABZFFBIQAQO-GFCCVEGCSA-N	314.349	1.202	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@H](NC(=O)NNc2nc(C)cc(C)n2)C1(C)C	271761300	BHKXRFOMFJTVHT-SDDRHHMPSA-N	307.398	1.779	50	20	DDGD	
CNC(=O)CCCC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	275722177	UJSLLOHRSXGRKJ-UHFFFAOYSA-N	314.729	1.608	50	20	DDGD	
COC(=O)NNC(=O)[C@@H]1C[C@@]12CCN(C(=O)OC(C)(C)C)C2	372899948	BKKSZIUIEXRECA-LKFCYVNXSA-N	313.354	1.021	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H]2CCCN2c2ccccc2)n1	373277420	GXSSGQGXVYXKIT-CYBMUJFWSA-N	313.361	1.597	50	20	DDGD	
Cn1nc([C@H]2CCCOC2)cc1NC(=O)NNc1ccncc1	280277251	VLXVRXPVJXDUNN-NSHDSACASA-N	316.365	1.858	50	20	DDGD	
Cc1cccc(C2(C(=O)NNC(=O)N3CCOCC3)CC2)c1	299375324	LZBKHRQYVIJBLI-UHFFFAOYSA-N	303.362	1.100	50	20	DDGD	
CC(=O)CCc1ccc(OCC(=O)NNC(=O)CC2CC2)cc1	294271045	UWSNTASWDGZISN-UHFFFAOYSA-N	318.373	1.535	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CCCO2)c(Cl)n1	292870669	XEZVDTXCUSXULV-QMMMGPOBSA-N	314.729	1.075	50	20	DDGD	
CC1=C(C(=O)NNC(=O)Cc2ccccc2C)SCCO1	807078955	AGDAWMHHBMQMPQ-UHFFFAOYSA-N	306.387	1.680	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H](C)C(C)(F)F)nc1C	293333674	AWKUHAIOJJIRAJ-SSDOTTSWSA-N	316.308	1.696	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)Nc1cccc(C2CCC2)c1	291848722	TVIHCNZLDZTLST-UHFFFAOYSA-N	315.373	1.840	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)c1ccoc1CC(N)=O	803361082	INVTZQTXQJFCEX-UHFFFAOYSA-N	301.346	1.935	50	20	DDGD	
COc1ccc(NNC(=O)NCc2ncccc2N(C)C)nc1	290995184	XVYWGGWNLKFNLC-UHFFFAOYSA-N	316.365	1.378	50	20	DDGD	
O=C(Cc1n[nH]c2c1CCCC2)NNC(=O)Nc1ccccc1	801987031	NKRVXTMNBVESNV-UHFFFAOYSA-N	313.361	1.684	50	20	DDGD	
O=C(/C=C/c1ccc(F)c(F)c1)NNC(=O)[C@H]1CCCCO1	295572671	BGEFTURMAYYEGP-VUDGCMKMSA-N	310.300	1.695	50	20	DDGD	
CN1CCC[C@H]1C(=O)NNC(=O)c1ccc(Cl)cc1Cl	299490683	FVMAUIHWCLCOIQ-NSHDSACASA-N	316.188	1.849	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1ccc2c(c1)CCC=C2	803394303	SBNPUWOQUDXSOT-UHFFFAOYSA-N	308.341	1.929	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)n[nH]1	802102663	BCVZVOWUHJOZAH-UHFFFAOYSA-N	317.305	1.167	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2cccc3cccnc23)O1	292814499	ZNHJHGHUPYOPHZ-GWCFXTLKSA-N	314.345	1.955	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cncn1-c1ccc(F)cc1	298279706	IKUKDNGFSXJYBU-UHFFFAOYSA-N	302.309	1.573	50	20	DDGD	
CN(CC(=O)NNc1ncncc1F)c1ccccc1[N+](=O)[O-]	817081455	CHTYPMQEFDRBGF-UHFFFAOYSA-N	320.284	1.103	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H](C)N2C(=O)CCC2=O)cc1	817915417	LZVGPFFSTAOMRW-JTQLQIEISA-N	305.334	1.066	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1cc(Br)ccc1F	816633937	RQIHHEKAUFBYEC-UHFFFAOYSA-N	300.091	1.463	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1ccc([N+](=O)[O-])o1	814951518	HIXOHZOSXSSEGM-UHFFFAOYSA-N	305.246	1.423	50	20	DDGD	
CC(=NNC(=O)N=c1cc[nH]cc1)c1nc2ccccc2n1C	814999877	BCHAVAXUHZFZMP-UHFFFAOYSA-N	308.345	1.936	50	20	DDGD	
Cc1cccc(-c2nnc(S)n2CC(=O)NN(C)C2CC2)c1	819645196	AWYJGDGIHITZQW-UHFFFAOYSA-N	317.418	1.668	50	20	DDGD	
CCOc1ccc(NNC(=O)c2ccc(C(=O)OC)[nH]2)cc1	817885743	MQXABRNRUSXRSL-UHFFFAOYSA-N	303.318	1.957	50	20	DDGD	
CCc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccnnc1	817693192	KCNMYPIHHODSAJ-LSDHHAIUSA-N	310.357	1.604	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2nc(C)oc2C)cc1	816596926	XCMCWFMRPJUHNW-UHFFFAOYSA-N	304.306	1.767	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NNC(=S)NCCc1cccs1	819428008	ZNNMXIJBUQRMOR-KTKRTIGZSA-N	324.431	1.230	50	20	DDGD	
COCC(=O)NN=C(C)CCc1ccc(O[C@@H](C)C(=O)O)cc1	814870805	AHBVZEFZUOBBEX-LBPRGKRZSA-N	322.361	1.610	50	20	DDGD	
O=C(/C=C\[C@H]1CCOC1)NNC(=O)C12CC3CC(CC(C3)C1)C2	493751656	HMJZYXRDNVARFQ-FYCWLAMDSA-N	318.417	1.943	50	20	DDGD	
CN(C)CCCNC(=S)NNC(=O)CCCc1ccccc1	727705243	PQWFJLNVIARXPG-UHFFFAOYSA-N	322.478	1.456	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccc(N2CCOC2=O)c1C	494554973	NFKJMPOQLBVENN-UHFFFAOYSA-N	322.321	1.734	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNc2cnccn2)CCN1C(=O)OC(C)(C)C	492672810	LXNQQZPJLZGKER-GHMZBOCLSA-N	321.381	1.565	50	20	DDGD	
Cc1cccc2c1O[C@H](C(=O)NNC(=O)NCc1ccco1)C2	825421420	WQWSJCGSKRWXAO-ZDUSSCGKSA-N	315.329	1.422	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C1CCN(CC(F)F)CC1	495753134	KSOLUDVUNJOIGR-UHFFFAOYSA-N	307.341	1.519	50	20	DDGD	
CSCCCCC(=O)NNc1cccc(-c2nn[nH]n2)c1	826228664	WUTXOYXVCZTABO-UHFFFAOYSA-N	306.395	1.843	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNC(=O)CCCc1ccccc1	727741037	CYMIRRDUSJHJFX-GFCCVEGCSA-N	305.378	1.071	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C2(C)COC2)cc1F	822648997	KWBCQMGDNALOIA-UHFFFAOYSA-N	313.354	1.188	50	20	DDGD	
CSCC(C)(C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C	495646220	HCGGKILLURSWIK-UHFFFAOYSA-N	319.427	1.048	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)COc2ccc(C=O)cc2)cc1	727374899	AOGSRKPFGLHKHR-UHFFFAOYSA-N	323.308	1.211	50	20	DDGD	
Cc1cnc([C@H](NCC(=O)NNC(=O)C(C)C)C2CC2)s1	828808323	KMNCHMYPEMYOSC-GFCCVEGCSA-N	310.423	1.296	50	20	DDGD	
Cc1nc([C@H]2CCN(C(=O)/C(C#N)=C/c3ccc(O)cc3)C2)n[nH]1	491135262	SPBIKEGTDRHXEI-JGWKKKPCSA-N	323.356	1.742	50	20	DDGD	
OB(O)c1ccc(CNCCCCCN2CCCCC2)cc1	585021344	IYTHNPSBGPEIRF-UHFFFAOYSA-N	304.243	1.112	50	20	DDGD	
O=C(NCB(O)O)[C@@H](Sc1ccccc1)c1ccccc1	585055437	ADKNODWCJVYYAC-AWEZNQCLSA-N	301.176	1.648	50	20	DDGD	
CC[C@H](CNCc1ccc(B(O)O)cc1F)CC(F)(F)F	585045688	FHQHKBRWSMGWRR-VIFPVBQESA-N	307.096	1.574	50	20	DDGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccn(C)n2)cc1	490937004	BWBNXHMEKATGQP-RAXLEYEMSA-N	323.356	1.668	50	20	DDGD	
C[C@@H](NC(=O)c1cc(B(O)O)ccc1F)[C@H]1C[C@H]2CC[C@H]1C2	584927479	SEQXJANLOGWKLN-MPPDQPJWSA-N	305.158	1.060	50	20	DDGD	
CC(C)OC[C@@H]1CN(C(=O)[C@]2(C)C[C@@H]2Br)CCO1	907455675	JWWHFGBJFCOCGU-GMXVVIOVSA-N	320.227	1.812	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@@H]2CC[C@H](C)O2)cc(C#N)n1C	491046174	GRFBHONUTDUAKD-JGEIXWAWSA-N	312.373	1.796	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)/C=C\c1ccc2c(c1)OCO2	490552140	NGPVKCUTOOSECM-ALCCZGGFSA-N	313.313	1.228	50	20	DDGD	
CN(C)C(=O)Nc1cccc(C(=O)NNc2ncccn2)c1	739690700	PNPNOHAWHUYVQF-UHFFFAOYSA-N	300.322	1.327	50	20	DDGD	
CC(C)[C@@H](O)C(C)(C)CNC(=O)/C(C#N)=C\c1cnn(C)c1	491109209	ZMOBMPGHMDGRFY-CNTYAEFGSA-N	304.394	1.486	50	20	DDGD	
Cc1cc(NNC(=O)c2cc3c(C)nn(C)c3nc2C)ncn1	734254155	KUUPDICZQPLEDF-UHFFFAOYSA-N	311.349	1.440	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1ccc(C(F)(F)F)cn1	905460149	JSDHELZKSYGTPV-UHFFFAOYSA-N	318.255	1.297	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCC2	730576870	MFIRHBDNKPAHHK-HNNXBMFYSA-N	320.414	1.450	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)Cc2ccc(Cl)cc2)CCCCO1	837311896	FRIAIRONRDIYDC-OAHLLOKOSA-N	310.781	1.989	50	20	DDGD	
C[C@]1(C(=O)NCC(=O)N2CCCCC2)C[C@H]1Br	906547673	FNSXCHQMYQVTKE-SKDRFNHKSA-N	303.200	1.289	50	20	DDGD	
CN(C[C@@H]1CCCC[C@H]1O)C(=O)/C(C#N)=C\c1cnn(C)c1	491010484	MLMWBTQIONQYHI-VOXMINEMSA-N	302.378	1.337	50	20	DDGD	
CCSCC[C@H](C)NC(=O)NNC(=O)[C@H]1CCCCO1	836334086	KFBFDJHKJPZFAN-WDEREUQCSA-N	303.428	1.418	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNC(=O)C(C)(C)c1ccccc1	839672493	RLADVLMBJMVRRT-CYBMUJFWSA-N	319.405	1.259	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)[C@H](C)Oc1ccccc1F	834930032	LCKJOLDPSQJADF-NSHDSACASA-N	319.340	1.663	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1C[C@@H]2CCCCCC[C@H]21	584960265	OYFTYMQGYLVZSH-SWLSCSKDSA-N	305.158	1.300	50	20	DDGD	
O=C(c1cnc(Cc2ccccc2)s1)N1CC[C@@H](B(O)O)C1	585064040	BRCPAMCVULTOLK-GFCCVEGCSA-N	316.191	1.423	50	20	DDGD	
C[C@@H](c1nccs1)N1CCN(S(=O)(=O)CCl)CC1	831116211	YNXGINHQEBLFIZ-VIFPVBQESA-N	309.844	1.348	50	20	DDGD	
C[C@@H]1CCC[C@@H]1NC(=O)NNc1cccc(-c2nn[nH]n2)c1	736265058	YTLCDAWXTUJPBC-SKDRFNHKSA-N	301.354	1.681	50	20	DDGD	
C[C@H](OCCCNCc1ccc(B(O)O)cc1)c1ccccc1	585015441	ZAFOZONDHDPVQC-HNNXBMFYSA-N	313.206	1.624	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CC[C@@H](c3ccccc3)C2)c(F)c1	585035895	ZKYXYPHBZNGIBQ-RHSMWYFYSA-N	313.181	1.931	50	20	DDGD	
C=CCOC(=O)/C(C#N)=C/c1cnc2ccc(-c3nn[nH]n3)cn12	735437692	OUWIRBJLCSRIQW-IZZDOVSWSA-N	321.300	1.151	50	20	DDGD	
CC(C)CCn1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n1	831560428	XQQOFQBIQBHORU-VXGBXAGGSA-N	323.397	1.507	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CCCn2ccnc2)ccc1F	837038304	PVGZMCFHQHQMTM-UHFFFAOYSA-N	320.324	1.732	50	20	DDGD	
OB(O)c1ccc(CNc2ccc3c(c2)OCCCO3)c(F)c1	585016861	CATGXUBCCRPRRY-UHFFFAOYSA-N	317.125	1.279	50	20	DDGD	
C[C@H](c1cccnc1)N(C(=O)c1cccc(B(O)O)c1)C1CC1	584939072	GHRPGSGXRFLMPT-GFCCVEGCSA-N	310.162	1.127	50	20	DDGD	
CC(C)c1ccc(NNC(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)cc1	837053325	RJMCFABLGZVNQZ-XHDPSFHLSA-N	319.405	1.529	50	20	DDGD	
CCC(C)(C)OCC(=O)NNc1nc(-c2ccncc2)no1	837388294	NOGPYZFPCVZLJF-UHFFFAOYSA-N	305.338	1.780	50	20	DDGD	
C[C@@H]1CCC[C@]1(C)C(=O)OCC(=O)NNC(=O)c1ccccc1	837939025	DHXALCPQTHBIPI-PXAZEXFGSA-N	318.373	1.817	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)C[C@H]1SC(=N)NC1=O	836935627	YTBAUPYMTUOUGX-MRVPVSSYSA-N	312.782	1.648	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc(CC#N)cc1	831151541	YDZQXTMSFILVFI-ZWNOBZJWSA-N	302.334	1.330	50	20	DDGD	
CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)NN	916665623	SAEDRVBYZMIVEK-UHFFFAOYSA-N	305.359	1.115	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@H]1CCCN(CCc2ccccc2)C1	910149582	GJWPTMPXBXDKIU-WBVHZDCISA-N	319.449	1.285	50	20	DDGD	
CCOC[C@H]1CCCCN1[C@H](C)C(=O)NNC(=O)CC(C)C	839182655	KQGPNKBHUHJDON-ZIAGYGMSSA-N	313.442	1.459	50	20	DDGD	
C=C(C)CCNC(=O)NNC(=O)COc1ccccc1OCC	838661333	UBUNHRBOZXPPAU-UHFFFAOYSA-N	321.377	1.761	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2ncon2)CCc2ccccc2C1	832825686	DRGRYJQMKWKBBT-HNNXBMFYSA-N	300.318	1.026	50	20	DDGD	
COC(=O)NC1CCN(C(=O)[C@@]2(C)C[C@H]2Br)CC1	912761168	AGCNIJQFJNSENT-SKDRFNHKSA-N	319.199	1.507	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@H]1CC12CCCC2	747301265	HIMASHNJZJJUME-CYBMUJFWSA-N	302.374	1.965	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)c2ccccc21)c1ccncc1	916242870	KITAPGLAAVOOKE-UHFFFAOYSA-N	315.354	1.393	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccc(O[C@@H]2CCOC2)cc1	849178115	UTWRSFVFVLKPCH-SCOADAFUSA-N	317.341	1.951	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)[C@H]1CCCS1	743367691	IVNRIBSCHIQRFO-SNVBAGLBSA-N	300.405	1.429	50	20	DDGD	
CCC(N)(CC)CNC(=O)NNC(=O)c1cccc(N(C)C)c1	841951326	HPIBYTJNCWWKTO-UHFFFAOYSA-N	321.425	1.214	50	20	DDGD	
CC(=NNC(=O)N(C)C)c1ccc(NC(=O)NC2CC2)cc1	745602134	MCXLATWPWPWQKU-UHFFFAOYSA-N	303.366	1.966	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc(OC)c(C)c1	740763011	TUGMISDRSPZATM-UHFFFAOYSA-N	305.378	1.759	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H](C)Cc2cnc[nH]2)ccc1F	848200934	SAAWDYQSJIEXID-SECBINFHSA-N	320.324	1.657	50	20	DDGD	
Cc1cc(NNC(=O)c2cnc3n2[C@H](C)CCC3)nc(C)n1	846635753	UFGCEMQEQIOQIH-SNVBAGLBSA-N	300.366	1.944	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2scnc2Cl)c1	919693863	MIINAIBLRGKIFB-UHFFFAOYSA-N	324.793	1.937	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc(C(=O)NC2CC2)cc1	912773765	VHSAJLGKSLVPPV-UVTDQMKNSA-N	313.357	1.248	50	20	DDGD	
Cc1cc(Cl)c(C(=O)NN(C)C[C@H](C)O)cc1[N+](=O)[O-]	910145531	UDSVUKCRYSZUFN-QMMMGPOBSA-N	301.730	1.514	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=C1CCN(c2ccccn2)CC1	842559274	UWVFGCQBWTXVTK-GXTWGEPZSA-N	302.378	1.579	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](C)c2cnccn2)c1C	912452307	UAGPGPCGVRMCTG-NSHDSACASA-N	314.345	1.818	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CC[C@H](CN)C2)c1	842010332	KJHREBCTHPYZEO-CMPLNLGQSA-N	306.366	1.227	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1csc(Nc2ccccn2)n1	910161909	ABORSZCBGFAUHB-SECBINFHSA-N	307.379	1.239	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cnc2ccccc12	843656799	YVZITSYINSQQFX-YPMHNXCESA-N	313.357	1.729	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cc(N2CCNC2=O)ccc1Cl	742034696	NUGWFFLMFBVRSG-UHFFFAOYSA-N	324.768	1.287	50	20	DDGD	
COc1ccnc(NNC(=O)CCCOc2cccnc2)n1	742529287	KPBWBGHCYNGVDI-UHFFFAOYSA-N	303.322	1.183	50	20	DDGD	
C[C@H]1CCC[C@@H](OCC(=O)NNc2ccnc(N(C)C)n2)C1	740107210	DZLOSZBQSCADLW-NWDGAFQWSA-N	307.398	1.581	50	20	DDGD	
O=C(NCCN1CCOCC1)NNc1cc(F)c(F)c(F)c1	746742964	PFHLHIDHDKRZBV-UHFFFAOYSA-N	318.299	1.062	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1	741755482	FPYCDEMQLVEPSV-LLVKDONJSA-N	307.306	1.502	50	20	DDGD	
CCn1c(NNC(=O)[C@@H]2CCC(=O)C2)nc2ccccc2c1=O	843759235	BZEHDCQQMDWVQO-SNVBAGLBSA-N	314.345	1.229	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C2(C#N)CC(C)C2)cc1	846374161	KTNYNLHDYZBCSY-UHFFFAOYSA-N	301.346	1.785	50	20	DDGD	
O=C(CCc1cccc(F)c1F)NNC(=O)c1ccccn1	749836296	ZHDTYPNCKJRBTD-UHFFFAOYSA-N	305.284	1.754	50	20	DDGD	
COC(=O)N(C)NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1	848589087	GBXDUYAWQAIFPD-UHFFFAOYSA-N	319.220	1.296	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@H](C)N2CCCCC2)o1	752888712	OBCANDYDCGXZDI-LLVKDONJSA-N	308.382	1.406	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccc3nsnc3c2)n1	753423484	XKYMARZNSCMFIX-UHFFFAOYSA-N	315.362	1.304	50	20	DDGD	
CCOC(=O)[C@H](CC(=O)NNc1ccc(OCC)cc1)C(C)=O	854656163	FRQVICOOHWRMJB-CQSZACIVSA-N	322.361	1.687	50	20	DDGD	
CC(C)(C)n1ncnc1CNC(=O)NNc1ncc(Cl)cn1	856897650	PRZNHZKKUNWGTF-UHFFFAOYSA-N	324.776	1.303	50	20	DDGD	
CC(C)c1ccc(NNC(=O)c2cnn(C[C@H](O)CO)c2)cc1	854884242	CRFHIICMPQQQPY-HNNXBMFYSA-N	318.377	1.117	50	20	DDGD	
CC(C)NC(=O)CCNC(=O)NC[C@]1(C)C[C@@H]1Br	856824216	CUTRSMQBTYYFBG-CABZTGNLSA-N	320.231	1.374	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cc(COC)cs1	853311209	PIYZVAFKRSYIEZ-UHFFFAOYSA-N	311.407	1.649	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)COC(F)(F)F)c1	929245291	BUKNZSLRDBKLIS-UHFFFAOYSA-N	320.267	1.366	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2noc3c2COCC3)c1	857860861	MRUTWBZUHYHOSE-UHFFFAOYSA-N	317.301	1.291	50	20	DDGD	
C[C@H]1CCC[C@@H](CNC(=O)NNC(=O)c2cccc(F)n2)C1	852709644	DFCCWOCQYHRELS-WDEREUQCSA-N	308.357	1.991	50	20	DDGD	
O=C(NN=CCCc1c(F)cccc1Cl)C(=O)NC1CC1	755610614	GMTBELQKGIMPMX-UHFFFAOYSA-N	311.744	1.792	50	20	DDGD	
CCn1nccc1C=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1	753694385	DWLZFVBYCMTISU-MGPQQGTHSA-N	321.425	1.098	50	20	DDGD	
O=S(=O)(CBr)N[C@@H]1CNc2ccccc2C1	850589985	RJIWJBBFLQGMAH-VIFPVBQESA-N	305.197	1.295	50	20	DDGD	
CCc1noc(C)c1C(=O)NNc1ccc(C(=O)OC)cn1	759734869	XXYHXOPWTVWIQH-UHFFFAOYSA-N	304.306	1.484	50	20	DDGD	
C[C@@H]1C[C@H](CN)CN1C(=O)NC[C@]1(C)C[C@H]1Br	857105530	MVJVGUBAPCZIDF-BFLSOPEQSA-N	304.232	1.539	50	20	DDGD	
CC(C)(C)OC(=O)[C@@H](C(=O)NNc1nc[nH]n1)C1CCCC1	857261804	WWJMBTFQVBJCJQ-SNVBAGLBSA-N	309.370	1.396	50	20	DDGD	
C#C[C@@](C)(CC)NCC(=O)NNC(=O)c1cccc(Cl)c1	852102471	XYRQMBPHZKNWMY-HNNXBMFYSA-N	307.781	1.493	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H]2CC23CCC3)cn1	759805276	UIYOKRUMVNNSJY-JTQLQIEISA-N	306.391	1.598	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)c1cnc2nccnc2c1	759956576	RFNYILMWLGLMMG-UHFFFAOYSA-N	323.341	1.786	50	20	DDGD	
CCCc1nccn1CC(=O)NNC(=O)c1ccc(C#N)cc1	756923902	PQQYIHUKLRSBNI-UHFFFAOYSA-N	311.345	1.168	50	20	DDGD	
COc1cc(OC2CC2)ccc1C(=O)NNC(=O)c1cc[nH]n1	855356029	FHUHPTSKVFYFDA-UHFFFAOYSA-N	316.317	1.034	50	20	DDGD	
COc1cc(CCC(=O)NNc2nc3ccccc3n2C)on1	857257087	QQEQRXZHAAWONF-UHFFFAOYSA-N	315.333	1.646	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NNc2ncccc2[N+](=O)[O-])C1	857860398	MCJPHBSJWGKTRT-PSASIEDQSA-N	316.321	1.522	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1cccc(Cn2cccn2)c1	755684449	QJEPDZKANHDQQE-UHFFFAOYSA-N	324.344	1.726	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCN(C(=O)c2cccc(CCl)c2)C1	1338995442	IJPDPCGASVBJEY-GFCCVEGCSA-N	301.795	1.685	50	20	DDGD	
CC1CC(NC(=O)NNC(=O)c2nnc(O)c3ccccc23)C1	753020872	MLANYZLMNBQTOU-UHFFFAOYSA-N	315.333	1.078	50	20	DDGD	
O=C(NNc1cc(F)cc(Cl)c1)[C@H]1CCCCS1(=O)=O	855618650	MDSUKMNJUNCJNB-LLVKDONJSA-N	320.773	1.890	50	20	DDGD	
CNC[C@H](C)NC(=O)NNc1ccc(C#N)cc1C(F)(F)F	851679762	FCNZTBBMAZMSLZ-QMMMGPOBSA-N	315.299	1.811	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)NC1(C(F)(F)F)CCOCC1	932297227	ZPMPMXVDIFGQMD-UHFFFAOYSA-N	323.315	1.619	50	20	DDGD	
COCCOc1ccccc1NC(=O)NNc1cnccn1	769976628	CBBGHFPEXNLEMR-UHFFFAOYSA-N	303.322	1.650	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccn(CC(C)C)c1=O	930716773	FXNRPCSGERVLKY-UHFFFAOYSA-N	308.382	1.248	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(-c2nccs2)cc1	763438312	PWMXLGUONWSKFP-UHFFFAOYSA-N	318.358	1.306	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NNCC(F)(F)C(F)(F)F	863094929	YRUANSDTZNSACJ-SFYZADRCSA-N	320.258	1.389	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(-c2cnc[nH]2)cc1	869067648	FBFATIOWPUWTLX-GXFFZTMASA-N	314.345	1.263	50	20	DDGD	
C[C@@H]1CCCN([C@H](C)CNS(=O)(=O)CBr)C1	769934432	UKBLTKXQENELSS-NXEZZACHSA-N	313.261	1.379	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)Nc2ccccc2C)c1C	868026790	QNRAJDYNYDRSBV-UHFFFAOYSA-N	301.350	1.986	50	20	DDGD	
CNc1nc(C(=O)NNCC(F)(F)C(F)(F)F)cs1	863941859	GBIHWHDVLWIQGN-UHFFFAOYSA-N	304.244	1.617	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)c1cncnc1	760824594	NBQRIDDUVVCZNX-UHFFFAOYSA-N	318.358	1.039	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=CC1(OC)CCOCC1	761748450	CPMHMWDDBJKFCM-UHFFFAOYSA-N	320.389	1.925	50	20	DDGD	
CC1(C)C(=NNC(=O)CS(C)(=O)=O)C[C@H]1Oc1ccccc1	863186412	WZEGDFAINJZSDE-CYBMUJFWSA-N	324.402	1.381	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@H]1CCOC2(CCCC2)C1	769176547	WZYZCHKPTWMNBK-ZDUSSCGKSA-N	309.410	1.999	50	20	DDGD	
CN(C)c1cc(F)c(/C=C(/C#N)S(=O)(=O)N(C)C)cc1F	863189543	AQWDZSSBETXLAW-YHYXMXQVSA-N	315.345	1.787	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2ccc(O)c(F)c2)c1	768387208	IPBFQGVOXPASTE-UHFFFAOYSA-N	324.333	1.692	50	20	DDGD	
O=C(NN=C1CCCc2scnc21)[C@@H]1CN2CCC[C@@H]2CO1	863126229	GLIGLDDKLBEUOJ-PWSUYJOCSA-N	320.418	1.163	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NC1(CO)CCOCC1	768390782	SWZINTIQWIXMIF-VIFPVBQESA-N	308.216	1.454	50	20	DDGD	
C[C@@H]([C@H](C)C(=O)NNc1ccc(F)c(Cl)c1)S(C)(=O)=O	863081944	BTBCJATWQHTRJE-YUMQZZPRSA-N	322.789	1.991	50	20	DDGD	
CCCC1(C(=O)NNC(=S)Nc2ccc(OC)nc2)CC1	874954654	ZCHNXXOJLOAJMI-UHFFFAOYSA-N	308.407	1.988	50	20	DDGD	
Cn1ncc(C(=O)NNc2ncncc2Cl)c1C(F)(F)F	1116711411	NDMVFFAVHQBLPA-UHFFFAOYSA-N	320.662	1.639	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)/C=C/[C@H]2CCOC2)c1	874952065	LLQWXXFRWUSECC-YBJDMEARSA-N	315.398	1.578	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CCn2cccn2)c(C)c1	873758068	IIRMZJACLJSZCQ-UHFFFAOYSA-N	317.418	1.908	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@]1(N(C)C)CCC[C@@H](C)C1	875134713	FQBJRZMEUULIFL-RISCZKNCSA-N	300.403	1.409	50	20	DDGD	
C[C@]1(C(=O)N2CCC(S(C)(=O)=O)CC2)C[C@@H]1Br	1119564245	QWPPFHKQUQBYHJ-ONGXEEELSA-N	324.240	1.196	50	20	DDGD	
CCNC(=O)NNC(=O)C1(OCc2ccccc2)CCOCC1	772691910	MOKAWKPEAJWOKP-UHFFFAOYSA-N	321.377	1.103	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1ccc2nc(Cl)sc2c1	772860553	GIHDLZRYORETOI-UHFFFAOYSA-N	319.795	1.669	50	20	DDGD	
O=C(NN=Cc1cn(C[C@H]2CCCO2)nn1)NC1CCCC1	872346199	LGUDVQSFMNRMKF-CYBMUJFWSA-N	306.370	1.033	50	20	DDGD	
Cc1nc(N2CCOCC2)sc1C=NNC(=O)C(F)F	1116533416	VGGAQYGFGFMYCV-UHFFFAOYSA-N	304.322	1.003	50	20	DDGD	
COCCOCC(=O)NN=C(COC)c1ccc(Cl)cc1	872400082	HKDIPJMJYKSYRD-UHFFFAOYSA-N	314.769	1.470	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1CCCc2ncccc21	872337103	UHDOPRYQIVFNIQ-ZDUSSCGKSA-N	316.405	1.207	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCS1)c1n[nH]c2c1CCCC2	1116534598	MMNPVXIKWRKXFP-NSHDSACASA-N	308.407	1.335	50	20	DDGD	
Cc1ccc(C(C)(C)CNC(=O)NNC(=O)c2ccc[nH]2)nc1	875815973	MFZMSETXEAYXBT-UHFFFAOYSA-N	315.377	1.640	50	20	DDGD	
CCNC(=O)c1ccc(NC(=O)NN(C)CCOC)c(C)c1	878362105	MQZZFSLTIVEQBO-UHFFFAOYSA-N	308.382	1.359	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)Nc1cc(F)cc(Cl)c1	1117954494	BLNPUVSFFROFFZ-UHFFFAOYSA-N	314.748	1.631	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)Nc1cc(F)c(F)cc1F	878627650	RVCIKVGQFBOZOX-UHFFFAOYSA-N	317.267	1.683	50	20	DDGD	
COCCOCC(=O)NN=Cc1cccc2c1OC(C)(C)C2	872401757	IGOHXNAQTSRUDQ-UHFFFAOYSA-N	306.362	1.513	50	20	DDGD	
C[C@@H](Oc1ccc(C(=O)NN(C)C(N)=O)cn1)c1ccccc1	778415288	CYFMALHNSQBNFN-LLVKDONJSA-N	314.345	1.877	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)c1ccc(CO)c(F)c1	773709708	OUTCSYHCJYOAHX-UHFFFAOYSA-N	306.268	1.532	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)Cc1cccc(F)c1	772046157	DTWCAFDTILWNLA-QWRGUYRKSA-N	324.352	1.493	50	20	DDGD	
Cc1ccc(O[C@H](C)C(=O)NNC(=O)C2CCOCC2)cc1	883058827	CPTLMIMRZYPRDL-GFCCVEGCSA-N	306.362	1.336	50	20	DDGD	
O=C(CN1CCC[C@H]1c1ccc[nH]1)NNC(=O)c1cccs1	777604537	IAPTVXQFNGHZAJ-LBPRGKRZSA-N	318.402	1.674	50	20	DDGD	
O=S(=O)(CCCCl)N1CCc2nc(C3CC3)ncc2C1	882453285	UEKZOGASNQZKLK-UHFFFAOYSA-N	315.826	1.671	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@@H]1CC[C@H](C)C1	776452066	GCSQBBPRPSPRDY-NWDGAFQWSA-N	305.378	1.691	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CCN(C)C(C)(C)C2)c1	883738518	ZPHHZGGGWVQJRA-UHFFFAOYSA-N	310.423	1.437	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](C(=O)NNC(=O)c2ccc(C)c(O)c2)C1(C)C	882049963	KPRDHMJOEGMXHT-QWHCGFSZSA-N	318.373	1.713	50	20	DDGD	
Cl/C(=C\CBr)n1cc(CN2CCOCC2)nn1	881310170	DBUBLEHMZJBMJU-BCTAIJSYSA-N	321.606	1.542	50	20	DDGD	
CCn1cnnc1CCNC(=O)/C(C#N)=C\c1ccc(O)cc1	787333716	AOBVDDPHOQSNFY-LCYFTJDESA-N	311.345	1.269	50	20	DDGD	
C[C@]12CN(C(=O)c3cc(B(O)O)ccc3F)C[C@H]1[C@H]1CC[C@@H]2C1	887880448	CWZPLVRARNMFKP-NBBKGKMJSA-N	317.169	1.014	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)[C@H]1CCCS(=O)(=O)C1	885113566	FCVNVCQBSGUAFM-QMMMGPOBSA-N	304.318	1.233	50	20	DDGD	
C#Cc1cccc(NC(=O)CNS(=O)(=O)CCCCl)c1	881799571	DTMJHPBDXHUZGL-UHFFFAOYSA-N	314.794	1.155	50	20	DDGD	
COC(=O)NCCCC(=O)OC[C@]1(C)C[C@@H]1Br	1123141716	MNYVHCYYMCVTTM-KWQFWETISA-N	308.172	1.839	50	20	DDGD	
CC/C(C)=C(/C)C(=O)NNC(=O)c1nnc(O)c2ccccc12	780853878	HNLQKPTUVIJFCP-KTKRTIGZSA-N	314.345	1.843	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cc(C)cn(C)c2=O)cc1	783348749	XXWYRKFRHMJIKS-UHFFFAOYSA-N	314.345	1.084	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1	780803627	KSOIPZJRSBCQJQ-NSHDSACASA-N	310.419	1.862	50	20	DDGD	
CCNC(=O)Nc1ccc(C)c(NC(=O)NNC(=O)CC)c1	786404081	GLOCOEMSYNFIBE-UHFFFAOYSA-N	307.354	1.699	50	20	DDGD	
NC(=O)c1ccc(F)c(NC(=O)NNc2ncncc2Cl)c1	782022706	YZTQFQUCNHEBLG-UHFFFAOYSA-N	324.703	1.517	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)OC[C@@]2(C)C[C@H]2Br)C1	1123039399	NVGNSRLTNLIZHX-DMDPSCGWSA-N	318.211	1.962	50	20	DDGD	
COc1ccc(NC(C)=O)cc1NC(=O)NN=c1cc[nH]cc1	781028234	WOSMQGUMGIYYAX-UHFFFAOYSA-N	315.333	1.619	50	20	DDGD	
COCCONC(=O)NNc1ccc(Br)cc1C	894511454	MBTRCIJAIYVGSY-UHFFFAOYSA-N	318.171	1.962	50	20	DDGD	
CC[C@@H](CO)NC(=O)NNC(=O)c1cccc(OC(F)F)c1	780988657	HKLZXYOWGXGQCT-VIFPVBQESA-N	317.292	1.003	50	20	DDGD	
CCC(=NNC(=O)Cc1nc2ccccc2n1C)c1cn[nH]c1	788966158	JTCNLUHUGLZAJM-UHFFFAOYSA-N	310.361	1.769	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@H]2CCC(=O)c3cccn32)n1	790768077	SHOLSVOCJTTXPV-LLVKDONJSA-N	314.349	1.005	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C(C)c1ccnc(O)c1	790287154	CZHOHDYFTBFHPX-UHFFFAOYSA-N	315.329	1.715	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCOc2ccc(C)cc2C1	796432318	VILGWOUYDPCEHD-LBPRGKRZSA-N	305.378	1.135	50	20	DDGD	
COc1ccc(F)c2[nH]c(C(=O)NNc3ncccn3)cc12	792969536	DPVDVHDWOZKRCC-UHFFFAOYSA-N	301.281	1.863	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)CNc1ccccc1OC	794905380	BHSKHINWQJJXPU-NHYWBVRUSA-N	323.393	1.316	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CSCC#N)c2ccccc2n1	799009829	AQXHWALQOPRULM-UHFFFAOYSA-N	314.370	1.561	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H]1CCCc2nn(C)cc21	799002650	RMEJDZXRRBWPBN-NSHDSACASA-N	314.393	1.897	50	20	DDGD	
O=C(NC[C@@H]1Cc2ccccc2O1)NNc1nc2ccccn2n1	790173192	CQKWXMBFWUBOIF-LBPRGKRZSA-N	324.344	1.359	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2Cc3ccc(F)cc32)n1	792820782	WCKYEWGZYXJDRF-AWEZNQCLSA-N	316.336	1.126	50	20	DDGD	
Cc1ccc(OCC(=O)NN=C2CC(=O)N3CCCC[C@@H]23)cc1	799471723	GKOBWVKBMLNIDP-HNNXBMFYSA-N	315.373	1.631	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1c(C)nc2sccn12	1318030311	REUUTPRVTAKEBT-UHFFFAOYSA-N	309.395	1.764	50	20	DDGD	
CC(C)NC(=S)NNC(=O)Cc1ccn(-c2ccccc2)n1	1319574244	UVVYLFCELIAAKR-UHFFFAOYSA-N	317.418	1.319	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1ccc(Cn2cccc2)cc1	1318341633	CIRNNPIYMZLUDB-UHFFFAOYSA-N	308.341	1.939	50	20	DDGD	
Cc1nc([C@H](C)NC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)no1	1323134067	FZZLQXLVKOAOIO-OUPPCGJOSA-N	324.344	1.681	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1snnc1C1CC1	1324621898	DNSPYRYRISXXEH-UHFFFAOYSA-N	301.335	1.215	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1conc1COC)c1ccccc1	1324742662	RDLHEIGYSVQNPG-GFCCVEGCSA-N	317.345	1.776	50	20	DDGD	
CC(=O)c1cc(C(=O)NNc2nncc(N)c2Cl)ccc1C	1321143377	XQTLLRYWYOWJON-UHFFFAOYSA-N	319.752	1.980	50	20	DDGD	
Cn1ccc(NNC(=O)[C@@H]2CCCCN2Cc2ccccc2)n1	1256183407	CXYGDVIYMHHNME-HNNXBMFYSA-N	313.405	1.918	50	20	DDGD	
Cc1cc(C)nc(NC(=O)C(=O)NNc2nccnc2Cl)c1	1339264629	JSMBSIWZNXVJSF-UHFFFAOYSA-N	320.740	1.224	50	20	DDGD	
Cc1ncc(/C=C/C(=O)NNc2nncc(N)c2Cl)s1	1331498386	OUZPJPRWYWJQPA-NSCUHMNNSA-N	310.770	1.634	50	20	DDGD	
CC[C@H](C)n1nccc1C(=O)NNC(=O)NCC(F)(F)F	1349810978	WYZJBFPMOLLGSG-ZETCQYMHSA-N	307.276	1.360	50	20	DDGD	
O=Cc1c[nH]c(C(=O)NNC(=O)c2cncn2-c2ccccc2)c1	1347626442	DHSPEUVANVKARG-UHFFFAOYSA-N	323.312	1.088	50	20	DDGD	
CCNC(=O)NNC(=O)c1cccc(C(=O)N2CCCCC2)c1	1263712449	DXLGUMKIOXPJFN-UHFFFAOYSA-N	318.377	1.277	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)[C@@H]1CN2CCN1C[C@@H]2C	1347883767	IGIQOWMPYZSCIC-FZMZJTMJSA-N	308.813	1.480	50	20	DDGD	
O=C(NC[C@@H]1CNCCC1(F)F)NNc1cncc(Cl)n1	1350242787	XRCLIPXCULIRRA-ZETCQYMHSA-N	320.731	1.001	50	20	DDGD	
CCCCNC(=O)NN=C(C)c1cccc(-c2nn[nH]n2)c1	1604183140	CTTFSWVTTFJMRM-UHFFFAOYSA-N	301.354	1.690	50	20	DDGD	
NC(=S)c1ccc(C(=O)NNc2ncccc2C(=O)O)cc1	1605643537	XAWNTOPOMMBVRE-UHFFFAOYSA-N	316.342	1.171	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)[C@@H]1CCC=CCCC1	1606858208	LRQMOHKTZQLCLH-LLVKDONJSA-N	313.365	1.841	50	20	DDGD	
Cc1cc(NNC(=O)CCc2ccc(C(=O)O)cc2)nc(N)n1	1607696085	ZCGODQWQMSQMQR-UHFFFAOYSA-N	315.333	1.141	50	20	DDGD	
CCCc1ncc(C(=O)NNc2ccc(C(=O)O)cn2)s1	1605383601	QPTGILXAROREFP-UHFFFAOYSA-N	306.347	1.946	50	20	DDGD	
N#C/C(=C\c1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CCCOC1	1609492903	CWXWRFDTZCFDOW-SJWLEHQBSA-N	309.329	1.769	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cnc(C3CC3)s2)nc1	1602384059	CUVRQGQOMDIXEY-UHFFFAOYSA-N	304.331	1.871	50	20	DDGD	
Cn1cc(CC(=O)NNc2ccc(C(=O)O)c(Cl)c2)cn1	1610601356	LHRBHXBFXGKLBC-UHFFFAOYSA-N	308.725	1.458	50	20	DDGD	
C[C@@H]1O[C@H](C)CC1=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccnn1C	1549315330	MKYLAASDTJVRFW-ZAZJYDDPSA-N	320.393	1.557	50	20	DDGD	
C[C@@H]1COCCC1=NNC(=O)[C@H]1CCCO[C@H]1c1ccnn1C	1549320766	PNRGUSIQPDWTAF-TYNCELHUSA-N	320.393	1.416	50	20	DDGD	
Cc1cccc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)c1F	1549314329	KLTSJGUZUBSGNI-KBPBESRZSA-N	305.353	1.447	50	20	DDGD	
COc1cccc(F)c1C=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549312158	CMJIYCBYNKUORV-IAQYHMDHSA-N	321.352	1.148	50	20	DDGD	
COC(=O)CCCCC(=O)NNc1ccc(F)c(C(=O)O)c1	1610184468	QUMSMIAGULAANJ-UHFFFAOYSA-N	312.297	1.700	50	20	DDGD	
CCn1nccc1[C@H]1OCCC[C@H]1C=NNC(=O)c1ccon1	1553288203	RYTRTYQGDDGFKX-FZMZJTMJSA-N	317.349	1.775	50	20	DDGD	
Cc1cc(C#N)cc(NC(=O)NNC(=O)C2CCNCC2)c1	1579554070	MJEILDLOZGBXHI-UHFFFAOYSA-N	301.350	1.019	50	20	DDGD	
CN(C)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)CCl	1847435555	KXATWTSWUHCIFN-RYUDHWBXSA-N	315.845	1.015	50	20	DDGD	
C=C(CCC(=O)O)C(=O)NNc1ncccc1Br	1588630555	QXBWBHAOFKSMDA-UHFFFAOYSA-N	314.139	1.708	50	20	DDGD	
Br[C@H]1[C@@H]2CN(c3ccc(-c4nn[nH]n4)nc3)C[C@H]12	1588316076	LEKJJIANQXIOSI-MBTKJCJQSA-N	307.155	1.091	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1cnn(-c2ccccc2)c1	1594781151	HTUARLMDXRCWQF-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](C(=O)NNc2ccc(F)c(C(=O)O)c2)C1	1598907442	NHMWUXOXTNGFRA-OCAPTIKFSA-N	310.281	1.166	50	20	DDGD	
C[C@H]1CC[C@H](CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)C1	1590228030	FPZUSTABTCTECC-QWRGUYRKSA-N	315.381	1.929	50	20	DDGD	
Cc1ccc(Br)c(NNC(=O)COCC(=O)O)c1	1594341844	HYTRPLIEBUGSOO-UHFFFAOYSA-N	317.139	1.302	50	20	DDGD	
CN(N=Cc1ccc(-c2nn[nH]n2)cc1C(F)(F)F)C(N)=O	1591154211	IDTIOCZBBMIWKB-UHFFFAOYSA-N	313.243	1.230	50	20	DDGD	
CN(NC(=O)Nc1cc(-c2nn[nH]n2)c(F)cc1F)C1CC1	1591154120	GYFBOVDYGGCBSI-UHFFFAOYSA-N	309.280	1.276	50	20	DDGD	
CC(C)n1nccc1C=NNC(=O)c1ccc(C(=O)O)cc1	1776100745	XVDIUZZNDDQRMK-UHFFFAOYSA-N	300.318	1.926	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H]2C[C@@H]2C)cc1	18071158	QQCHGKKROXITGA-WDMOLILDSA-N	306.362	1.656	50	20	DDGD	
O=C(COc1ccc(F)cc1Cl)NNC(=O)c1ccncc1	19169564	DTSWTNAOPWAUSC-UHFFFAOYSA-N	323.711	1.714	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1ccccc1Cn1cccn1	158723552	LINNRAQPUHUZGG-SSZFMOIBSA-N	310.357	1.992	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(C)n(C(C)C)c2C)[nH]n1	151160605	PTCIJRFFNWTYIL-UHFFFAOYSA-N	303.366	1.792	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)/C=C/SCc1ccco1	152052850	DKHRZPVYHSRUMG-RMKNXTFCSA-N	305.359	1.826	50	20	DDGD	
Cn1nnc2cc(C(=O)NNc3ncccc3[N+](=O)[O-])ccc21	153508768	IVYVJAMPZWXLQS-UHFFFAOYSA-N	313.277	1.028	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1cccc(Cl)c1F	159798271	UECOTKVMJNFPPN-UHFFFAOYSA-N	306.688	1.902	50	20	DDGD	
C[C@@H]1CCCCN1CCCNS(=O)(=O)CBr	127040855	RTEZSIBLEXAPGV-SNVBAGLBSA-N	313.261	1.523	50	20	DDGD	
O=C(CNS(=O)(=O)c1ccc(CCl)cc1)NCC1CC1	393151010	DVQZYKJHTJFSAC-UHFFFAOYSA-N	316.810	1.230	50	20	DDGD	
Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)s1	3384439	RHYVNJGJXQLDEC-UHFFFAOYSA-N	318.354	1.675	50	20	DDGD	
CC(=O)Nc1ccc(CC(=O)NNC(=S)NC(C)(C)C)cc1	8302475	ZDYUWZVVUTXGLJ-UHFFFAOYSA-N	322.434	1.481	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@H]1CCOc2ccccc21	102866366	WRSXAMZUYFZUMJ-ZDUSSCGKSA-N	315.329	1.676	50	20	DDGD	
CC(C)OCCCNC(=O)/C(C#N)=C\c1cnn(CCCl)c1	103250418	VZTIJACAMJUJND-ZSOIEALJSA-N	324.812	1.960	50	20	DDGD	
CCNC(=O)COc1ccc(CNC=C(C#N)C#N)cc1OC	55007318	DHWAFQIWGYVCFG-UHFFFAOYSA-N	314.345	1.231	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCC(=O)N(C)C)cc1	26216609	CSUQWBHKIXTMNT-UKTHLTGXSA-N	301.346	1.197	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NC[C@H](c1cccc(OC)c1)N(C)C	28805480	RUZGXORQEVPPOG-WSYSLRRZSA-N	317.389	1.858	50	20	DDGD	
CNC(=O)NNC(=O)c1sc(Cc2ccc(F)cc2)nc1C	56377210	WAHBEUWNXPBOAP-UHFFFAOYSA-N	322.365	1.755	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1cc(Cl)ccn1	66784258	IQXDRQCDKGVZQL-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
CCCN(CC)CCNC(=O)NNc1cncc(Cl)n1	175774935	PFFQSVRHNOMYDK-UHFFFAOYSA-N	300.794	1.488	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NNC(=O)CCC2CC2)c1	115026379	ICZJJHYYEZYJGH-UHFFFAOYSA-N	310.375	1.041	50	20	DDGD	
CCNC(=O)NNC(=O)C1=Cc2cccc(OCC)c2OC1	65189704	FZOGVQVOYZBREV-UHFFFAOYSA-N	305.334	1.211	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CC2(O)CCCC2)cc1	118763213	PXZVMLWNROWLQZ-UHFFFAOYSA-N	305.378	1.250	50	20	DDGD	
Cn1nnc2cc(C(=O)NNc3ncccc3Cl)ccc21	114886792	HGPIWSCBGQUHLA-UHFFFAOYSA-N	302.725	1.774	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)COC[C@H]1CCCO1)c1ccccc1	111630491	YQLFXLZJWBNPRF-CABCVRRESA-N	320.389	1.523	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Cc2cccnc2C)c1O	1346393033	SJMVRGWBBCOMKJ-UHFFFAOYSA-N	315.329	1.108	50	20	DDGD	
COCCCNC(=O)NNC(=O)Nc1cc(F)cc(F)c1	63399148	UXSOCZQAZNCBAX-UHFFFAOYSA-N	302.281	1.337	50	20	DDGD	
CN1CCCC[C@@H]1CNC(=O)NNC(=O)c1cccc(Cl)c1	1342123006	FOJUBKDVMCEGNR-CYBMUJFWSA-N	324.812	1.768	50	20	DDGD	
COCCOCCC(=O)NNC(=O)CCCc1ccccc1	68051491	NJDWINMLLFDXPP-UHFFFAOYSA-N	308.378	1.210	50	20	DDGD	
Cc1nc(CC(=O)NNC(=S)N[C@H](C)C2CC2)c(C)s1	125036893	OXTOISSTYPNOQB-SSDOTTSWSA-N	312.464	1.596	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2cccc(Cl)c2)cn1	120224178	LRJZMIOJSHZIPI-UHFFFAOYSA-N	320.736	1.825	50	20	DDGD	
CC[C@H](C)[C@@H](C)NCC(=O)NNC(=O)Cc1nc(C)cs1	183040537	XJZOWPSQEYYOFZ-GXSJLCMTSA-N	312.439	1.166	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(F)cc(F)c1	77163716	VFLUALANQMAWHF-UHFFFAOYSA-N	313.304	1.031	50	20	DDGD	
CCc1cc(NC(=O)NNC(=O)c2ccccc2OC)n(C)n1	185515026	PCLBSEYCBYNRFW-UHFFFAOYSA-N	317.349	1.458	50	20	DDGD	
CCN1CCO[C@@H](C(=O)NNc2ccc(C#N)c(Cl)c2)C1	182353105	JPEZVWIZGHVTFQ-CYBMUJFWSA-N	308.769	1.375	50	20	DDGD	
CC[C@@H]1CCC[C@@H](NC(=O)NNC(=O)Cn2nc(C)cc2C)C1	77855793	GHYZFXXVIYUECW-ZIAGYGMSSA-N	321.425	1.799	50	20	DDGD	
CCCc1csc(NC(=O)NNC(=O)c2cccn2C)n1	184023761	JFLLBHDEGQDWIG-UHFFFAOYSA-N	307.379	1.901	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)CC(C)C)cc1C	32588069	HASPEMKQVLSECY-UHFFFAOYSA-N	300.380	1.359	50	20	DDGD	
C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNc1ncccn1	123936719	GPDBWFUECYHBKY-SECBINFHSA-N	319.752	1.392	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2ccc(F)cn2)c1	182646294	BNTYQFFSDXGYDU-UHFFFAOYSA-N	318.308	1.102	50	20	DDGD	
CCOCCCNC(=O)NNC(=O)c1ccc2ccccc2n1	43024395	FECBMDUYSYILGT-UHFFFAOYSA-N	316.361	1.605	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc([S@](C)=O)c(F)c1	186172780	WXAKGOLKGOLFJD-ZEDNOMKYSA-N	315.370	1.762	50	20	DDGD	
CCC(=O)N1CCC[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2)C1	133723162	NSKFAMRDVGSMQH-LLVKDONJSA-N	320.349	1.687	50	20	DDGD	
C[C@@H](Oc1cccnc1)C(=O)NNc1ccc([N+](=O)[O-])cc1	133760849	OGNGFVLZLSWZHS-SNVBAGLBSA-N	302.290	1.900	50	20	DDGD	
O=C(CC1CCCCC1)NNC(=O)[C@H]1COc2ccccc2O1	45294026	SCBNZMAZBZFWGF-OAHLLOKOSA-N	318.373	1.944	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(-c3ccc(C)o3)n[nH]2)n1	193749997	RLTQKJAJOGTIIT-UHFFFAOYSA-N	314.305	1.534	50	20	DDGD	
Cc1ccc(C)c(C(=O)CCC(=O)NNC(=O)[C@@H]2CCCO2)c1	42959499	KFDHMOVPZMBRBI-HNNXBMFYSA-N	318.373	1.593	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1C1CC1	194920325	RTSOVARLDCCYOR-UHFFFAOYSA-N	313.361	1.666	50	20	DDGD	
Cc1noc(-c2ccc(C(=O)NNC(=O)c3ccc[nH]3)cc2)n1	97090256	CXMNYBBQBAQYNL-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
Cn1c(=NNC(=O)NCCn2ccnc2)sc2ccccc21	255117449	AFOIMLDXHALAAU-UHFFFAOYSA-N	316.390	1.251	50	20	DDGD	
Cc1c(NNC(=O)CCc2cnn(C)c2)cccc1[N+](=O)[O-]	269619973	RXZFAHDULOCFCM-UHFFFAOYSA-N	303.322	1.713	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCCOCC1CC1	264503344	NOWDKCJIODGNSR-UHFFFAOYSA-N	309.341	1.125	50	20	DDGD	
COc1ccc(O[C@H](C)CNC(=O)NNC(=O)CC(C)C)cc1	266548612	LEKOXJRNNBTWPD-GFCCVEGCSA-N	323.393	1.839	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)N[C@H]1CCCc2cn[nH]c21	269035774	OKRDGDZVKMVVMO-NSHDSACASA-N	315.333	1.137	50	20	DDGD	
COc1ccccc1C(=O)NCC(=O)NNC(=O)CC(C)(C)C	264016272	HRKQCAQVJSRYGQ-UHFFFAOYSA-N	321.377	1.009	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)NC2CCC2)cc1OC	264348200	BTJVXKIOSJUMMV-UHFFFAOYSA-N	321.377	1.981	50	20	DDGD	
COC(=O)Nc1ccc(NC(=O)NNC(=O)C2CC2)cc1F	274121286	MYXYVHSYHCUHKM-UHFFFAOYSA-N	310.285	1.567	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(C[C@H](C)C(=O)OC)cc1	274121423	AXKNDJLOZMCYAE-VIFPVBQESA-N	309.322	1.431	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)CC(C)(F)F	277296549	JJYFTZCFMMIWFY-UHFFFAOYSA-N	322.333	1.587	50	20	DDGD	
O=C1CCC[C@@H](C(=O)NNc2ccccc2OC(F)(F)F)N1	275118655	GIUPJTHQGRPUHK-VIFPVBQESA-N	317.267	1.697	50	20	DDGD	
Cc1sc(CC(=O)NNC(=O)c2cnn(C)c2)nc1C(C)C	279085730	RODHTYLBHJQKTQ-UHFFFAOYSA-N	321.406	1.312	50	20	DDGD	
COCCCOCC(=O)NNC(=O)c1ccc2ccccc2n1	271772838	FRSKANXPMSRLNS-UHFFFAOYSA-N	317.345	1.049	50	20	DDGD	
COC(=O)Nc1cc(NC(=O)NNC(=O)C2CCC2)ccc1F	272871621	UWRYGWYFMWMDFP-UHFFFAOYSA-N	324.312	1.957	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)NC(C)C)c(C)c1F	272863192	SWMJVVAFMCCOBF-UHFFFAOYSA-N	319.358	1.044	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H](C(=O)NNc2ncnc3nc[nH]c23)C1(C)C	275517668	YREIUVQKYYOODL-RKDXNWHRSA-N	316.365	1.437	50	20	DDGD	
CSSCCNC(=O)N1C[C@@H](N2CCOCC2)C[C@@H]1C	376493327	YRGSVVQHZKYWGT-RYUDHWBXSA-N	319.496	1.502	50	20	DDGD	
COC(=O)N(C)NC(=O)CCOc1ccc(CCC(C)=O)cc1	286532912	YHVZTMIWCIALCA-UHFFFAOYSA-N	322.361	1.707	50	20	DDGD	
O=C(C[C@H]1CCCC(=O)N1)NNc1ccc(OC(F)F)cc1	289898840	UFEFTMIUKIXBNO-SNVBAGLBSA-N	313.304	1.790	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H]1CSCCS1	281386511	XORQZTWSIUBVSU-LLVKDONJSA-N	311.432	1.996	50	20	DDGD	
O=C(NNC(=O)C1CCN(CC(F)F)CC1)c1ccccc1	280848781	WKIKNRZOECBANM-UHFFFAOYSA-N	311.332	1.425	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)n1	376017144	BPNKMBCTRHQQOV-UKJIMTQDSA-N	300.362	1.379	50	20	DDGD	
CC[C@@H]1C[C@H]1NC(=O)NNC(=O)Cc1cn2ccccc2n1	281459927	GLPUHQHUTIEDQH-ZYHUDNBSSA-N	301.350	1.006	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C(C)(C)C)C(C)C	281291210	IIXDCDQUADZWNU-AVGNSLFASA-N	309.410	1.426	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2ccc([N+](=O)[O-])cc2C)CC1	288626765	JWZMGTXZFDESCB-UHFFFAOYSA-N	307.306	1.690	50	20	DDGD	
Cc1nnsc1C(=O)NNC(=O)Nc1cc(F)cc(F)c1	802005121	WAQZOCPLQQVOFZ-UHFFFAOYSA-N	313.289	1.591	50	20	DDGD	
COC(=O)N(C)NC(=O)CC1(NC(=O)OC(C)(C)C)CCC1	804125235	SWUUPIWPVAGVCW-UHFFFAOYSA-N	315.370	1.553	50	20	DDGD	
CSSCCNC(=O)NC[C@H]1CCCS(=O)(=O)C1	805472161	ANBRLRTUXNLNDN-SECBINFHSA-N	312.482	1.122	50	20	DDGD	
CCOc1ccc(NNC(=O)C(=O)Nc2cnn(CC)c2)cc1	293711839	MWDVTKGGWDNXNY-UHFFFAOYSA-N	317.349	1.384	50	20	DDGD	
C=CCNC(=S)NNC(=O)C1CC(O)(CCC(C)(C)C)C1	294511503	XZHWIYOMDYCFHP-UHFFFAOYSA-N	313.467	1.635	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc(C2CC2)on1	808045342	IKNXJWSWHXAYIG-UHFFFAOYSA-N	311.338	1.102	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)nc1	802003668	UCBSDEVSQRVCMC-UHFFFAOYSA-N	317.255	1.698	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cc2c(OC(F)F)cccc2[nH]1	298071875	DROJQSXPNQBISQ-UHFFFAOYSA-N	309.272	1.940	50	20	DDGD	
CCC[C@@H](C)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	291343712	WSESICIYYJNMAN-LLVKDONJSA-N	313.423	1.816	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ccnc(Br)c1	297371983	LHODHAOKSPKCBB-UHFFFAOYSA-N	313.155	1.797	50	20	DDGD	
CC(=O)c1cc(NC(=O)NNC(=O)c2ccncc2)ccc1F	806574778	HWJUNCQUNYALGP-UHFFFAOYSA-N	316.292	1.890	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1	290525098	ZYOYUEPHUYXBRN-LLVKDONJSA-N	324.812	1.859	50	20	DDGD	
C[C@@H]1CCC[C@@H]1NCC(=O)NNC(=O)c1ccccc1Cl	800391261	RGZRZEWHNOOJGM-MFKMUULPSA-N	309.797	1.879	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H]2CCCC23OCCO3)n1	806932675	JRXDWINSDTWNDG-VIFPVBQESA-N	312.757	1.425	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCc2cnnn2C)cc1	809138081	JSXKKRMRKWRCOG-MDWZMJQESA-N	312.329	1.864	50	20	DDGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CC[C@@H](CC(N)=O)C1	808774907	FSJVVYYFLXJQOC-OPKKXCTKSA-N	300.318	1.657	50	20	DDGD	
O=C(Cc1cncs1)NNC(=O)Nc1cc(F)cc(F)c1	802006780	UFTDUMRUBVQOBN-UHFFFAOYSA-N	312.301	1.817	50	20	DDGD	
O=C(CNC(=O)c1cc(F)cc(F)c1)NCC(Cl)Cl	294481043	ANQINJNZEITESL-UHFFFAOYSA-N	311.115	1.615	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)O1	802097851	BIWLYSQQULLHFH-KKFJDGPESA-N	321.333	1.382	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)COc2ccc(F)cc2)CC1(F)F	817513489	QKQQPOXQUWRPHY-GFCCVEGCSA-N	302.252	1.397	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=C1CCCOc2cc(F)ccc21	814955435	HFDGFOYWZDEJQT-UHFFFAOYSA-N	302.309	1.784	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	819745001	LYNMIWLVYQOWBQ-OAHLLOKOSA-N	323.412	1.647	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)CNc1ccc(OC)cc1	812456074	NTVGESWNGZWYHH-NWDGAFQWSA-N	323.393	1.173	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)NOC/C=C/Cl	811851811	TVTAGJWEVMMTER-ZZXKWVIFSA-N	317.704	1.219	50	20	DDGD	
C[C@H]1CCCC[C@H]1C(=O)NNC(=O)Cc1cn2ccccc2n1	819345898	PVKITOQCRBVSMF-GXTWGEPZSA-N	314.389	1.851	50	20	DDGD	
CN(NC(=O)CCNS(=O)(=O)/C=C/c1ccccc1)C1CC1	819640634	CLWCSDKJGMLABE-ZRDIBKRKSA-N	323.418	1.092	50	20	DDGD	
O=C(NNC(=O)c1cccc2cccnc12)NOC/C=C/Cl	811871367	RUSQISAZNGGARG-XVNBXDOJSA-N	320.736	1.863	50	20	DDGD	
COC(=O)c1ccc(CCC(=O)NNC(=O)CC2CC2)cc1	819131455	GLNVGHXEXNTZRQ-UHFFFAOYSA-N	304.346	1.353	50	20	DDGD	
CCN(CC)C(=O)CCCC(=O)NNC(=O)CC(F)(F)F	728714115	GTCYEXBEDSITSY-UHFFFAOYSA-N	311.304	1.125	50	20	DDGD	
C[C@@]1(CC(=O)NNc2ncnc3[nH]cnc23)CC1(Cl)Cl	825954394	RQEBYNATDIRAMT-SNVBAGLBSA-N	315.164	1.770	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCCOC[C@@H]1CCCO1	728741015	KJKQBXYBUTWWGE-LBPRGKRZSA-N	315.414	1.339	50	20	DDGD	
CCCNC(=O)/C(C#N)=C/c1ccc(F)c(-c2nn[nH]n2)c1	825328355	QMPXZQFRHAZYRO-UXBLZVDNSA-N	300.297	1.439	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCC[C@@H]2[C@H]2CCCOC2)cn1	491087738	XSDORNCUIKFPPH-HFAZJSBRSA-N	314.389	1.745	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C/c2cccc(-c3nn[nH]n3)c2)n1	826363206	CETHVKKAHBZQAV-XYOKQWHBSA-N	320.316	1.146	50	20	DDGD	
CN1CC[C@@H](CNC(=O)/C(C#N)=C/c2ccc(O)cc2)CC1=O	491160255	KMKKYHFNFUKOTC-SJWLEHQBSA-N	313.357	1.284	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-]	497155043	RBDHNSDXLRAYBB-UHFFFAOYSA-N	301.686	1.900	50	20	DDGD	
CCN(CCO)NC(=O)Cc1cccc(OC(F)(F)F)c1	823870106	YVCMBLKKODCSIC-UHFFFAOYSA-N	306.284	1.473	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(C)nc1C(C)C	822786674	VZYYZCBMDYXHMA-UHFFFAOYSA-N	308.382	1.494	50	20	DDGD	
C[C@@H]1OC(=O)N[C@H]1C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	496683508	IKSPQDGAQPZBPM-JOYOIKCWSA-N	319.361	1.242	50	20	DDGD	
O=C(CS(=O)(=O)C1CC1)NNc1ccc(Cl)c(F)c1	827525465	CDYOERORJFLWBV-UHFFFAOYSA-N	306.746	1.499	50	20	DDGD	
CC(CCCCO)=NNC(=O)c1cccc(-c2nn[nH]n2)c1	824400622	JJVNTFINGCIVEQ-UHFFFAOYSA-N	302.338	1.135	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(N(C)C)c2ccccc2n1	495792388	IAQZSXQNESMLST-UHFFFAOYSA-N	302.334	1.692	50	20	DDGD	
COCC[C@@H](C)CNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	491129044	FYNSGEGSQXBXSD-FKZYXTMDSA-N	314.389	1.901	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)N=c1cc[nH]cc1	726871560	CAYBBRGPNHXFMF-UHFFFAOYSA-N	317.374	1.535	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1)N(C)C	822760634	PTMMUWVOIYDLGJ-MRVPVSSYSA-N	316.308	1.391	50	20	DDGD	
C[C@]1(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCCOC1	824784454	UFXZSFMNEWRERF-AWEZNQCLSA-N	302.338	1.127	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)NOCC1CCC1	824021653	ALTSIUSUQZNTKJ-UHFFFAOYSA-N	308.294	1.271	50	20	DDGD	
COc1ccc(CC(=O)NN(C)[C@@H](C)CO)c(Cl)c1OC	823917282	GYXFTJVTFAIMRG-VIFPVBQESA-N	316.785	1.244	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)OCC(F)(F)F	826446460	MMWRWPIXFBGGHS-UHFFFAOYSA-N	302.216	1.482	50	20	DDGD	
O=C(N[C@@H]1CC[C@H](c2ccccc2)C1)c1cccc(B(O)O)c1	584970012	KCONRAPWBRHAAI-WMLDXEAASA-N	309.174	1.433	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(OC2CC2)cc1)C1CCC1	829848018	PVGBRZKBWNHECU-UHFFFAOYSA-N	310.375	1.337	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)n1	496998411	PKJSJUCJQXINGI-MNOVXSKESA-N	321.381	1.450	50	20	DDGD	
O=C(NNC(=O)c1cccc2nsnc12)NC1CCCC1	900412260	DGHQCRNDFKBETL-UHFFFAOYSA-N	305.363	1.578	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)C[C@@H]1CCCC[C@H]1O	822731803	NTMHXQMZZRRZQE-GXFFZTMASA-N	324.352	1.997	50	20	DDGD	
CC(C)(CNCc1ccc(B(O)O)cc1F)CC(F)(F)F	585050142	SFZRJKOEPUBVMS-UHFFFAOYSA-N	307.096	1.574	50	20	DDGD	
O=C1CSC[C@@H](C(=O)NNc2cc(F)cc(Cl)c2)N1	825157162	HFKFLRBQTBOZJW-VIFPVBQESA-N	303.746	1.154	50	20	DDGD	
CCSc1nnc(SCC(=O)NNC(=O)C(C)C)s1	828399372	RGCVXCQUBRXFKC-UHFFFAOYSA-N	320.465	1.546	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc(S(C)(=O)=O)cc1	490638031	LIYWMPPYPOGKFF-RAXLEYEMSA-N	322.386	1.150	50	20	DDGD	
Cc1ccccc1CN(C)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	827314572	GINDDKLXHWOYEI-OCCSQVGLSA-N	305.378	1.593	50	20	DDGD	
Cc1cccc(C2(C(=O)N3CC[C@@H](B(O)O)C3)CCCC2)c1	585073206	VRNDPYHHGIDTHU-OAHLLOKOSA-N	301.195	1.882	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C\c1ccc(-c2nn[nH]n2)cc1F	822795838	IESGTFBYLSVDEQ-KMKOMSMNSA-N	306.264	1.173	50	20	DDGD	
CC(C)C(=O)NNC(=O)CC1(CNC(=O)OC(C)(C)C)CC1	496628916	BJHOPWKXEWYJAS-UHFFFAOYSA-N	313.398	1.485	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCCCOCC(F)(F)F	490669471	JRASSVLGWVGHGU-UHFFFAOYSA-N	315.292	1.694	50	20	DDGD	
C[C@@H](c1ccccc1)N(CC(=O)NNC(=O)C1CC1)C1CC1	733194876	SMTJPWDXWSOCMV-LBPRGKRZSA-N	301.390	1.769	50	20	DDGD	
CCC[C@@H](CC)NC(=O)NNC(=O)CNC(=O)OC(C)(C)C	494454886	QKUAELLFVSNHJH-SNVBAGLBSA-N	316.402	1.420	50	20	DDGD	
CCOCC(=O)NN=C1C(=O)N(CCC(C)C)c2ccccc21	731154490	OIYSUYSVLUXNGQ-UHFFFAOYSA-N	317.389	1.936	50	20	DDGD	
Cn1nc2c(c1C(=O)NNC(=O)Cc1ccc(F)cc1)CCC2	905198149	VYQAAXLXWGSUIO-UHFFFAOYSA-N	316.336	1.052	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H](c2ccccc2)CC1	584938910	DYBHUCYYIKQZLG-MRXNPFEDSA-N	323.201	1.776	50	20	DDGD	
N#CCOc1cccc(/C=C(/C#N)C(=O)N=c2cc[nH]cc2)c1	490811482	GABCUDBXFCVXSG-UVTDQMKNSA-N	304.309	1.952	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1cnc(C2CC2)nc1	836372553	CMEGGYWYPLNWHR-LLVKDONJSA-N	305.338	1.076	50	20	DDGD	
C=CCN(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1	839536440	PALPKTAYAGPGAB-UHFFFAOYSA-N	318.333	1.006	50	20	DDGD	
O=C(CC1CC(c2ccccc2)C1)Nc1cccc(B(O)O)c1	584914227	SOWQISFVSYNIEH-UHFFFAOYSA-N	309.174	1.889	50	20	DDGD	
CC(C)C(=O)NNC(=O)CNC(=O)c1c(F)cccc1Cl	730585530	WZEATUSRPQBVJV-UHFFFAOYSA-N	315.732	1.012	50	20	DDGD	
N#Cc1cc(NC(=O)NNC(=O)[C@@H]2CCCCO2)ccc1F	836371713	MLYXNARYIUJHNR-LBPRGKRZSA-N	306.297	1.419	50	20	DDGD	
CO[C@H](CNCc1ccc(B(O)O)cc1F)c1ccc(F)cc1	585027365	REWLERKWKYSEPE-MRXNPFEDSA-N	321.132	1.122	50	20	DDGD	
Cc1ccc(NNC(=O)NCCNC(=O)C2CC2)c(Cl)c1	837360158	LBXKACUBHNJQKH-UHFFFAOYSA-N	310.785	1.801	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(C(=O)OC)cc1F	905016178	RPJIHCKAQXGZIG-KUKWCLJQSA-N	320.320	1.670	50	20	DDGD	
C[C@@H]1CCC[C@H](N2CCC(=NNC(=O)c3ncon3)CC2)C1	901290103	OKVQVYLPDPYSGU-YPMHNXCESA-N	305.382	1.830	50	20	DDGD	
O=C(C[C@@H]1OCCc2ccccc21)NNC(=O)[C@@H]1CCCCO1	833250063	BLNMSSHJKVMVSX-GJZGRUSLSA-N	318.373	1.407	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	831042294	QPWGKAFPPLELOU-GXFFZTMASA-N	305.334	1.467	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNc1ccc2c(=O)[nH]ccc2c1	838677981	WZNUUROQDPQJLT-KGLIPLIRSA-N	314.345	1.498	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNC(=O)COc1cccc(C)c1	839455787	LACAUAHURSXKOF-ZDUSSCGKSA-N	322.361	1.111	50	20	DDGD	
OB(O)c1ccc(CN[C@H](c2ccc(F)cc2F)C2CC2)o1	585026836	RZOYGMSWWNLFEZ-HNNXBMFYSA-N	307.105	1.479	50	20	DDGD	
C[C@@H](CNCc1ccccc1B(O)O)Oc1ccc(F)cc1	585026675	JPWSVENNNOQQOC-LBPRGKRZSA-N	303.142	1.063	50	20	DDGD	
CO[C@@H](C1CC1)[C@@H](C)NC(=O)NNC(=O)c1cccc(C#N)c1	836277043	UCDLFXKWNDMRCM-QMTHXVAHSA-N	316.361	1.316	50	20	DDGD	
C[C@@H]1CCC[C@@H](CNC(=O)NNC(=O)N=c2cc[nH]cc2)C1	837826471	LFOZSXAWUBMMAV-VXGBXAGGSA-N	305.382	1.666	50	20	DDGD	
C[C@H](Oc1ccc(C=NNC(=O)[C@H]2CCCCO2)cc1)C(=O)O	834984971	FLCRCCIPLHUKMP-SMDDNHRTSA-N	320.345	1.558	50	20	DDGD	
CON(C)C(=O)CCC(C)=NNC(=O)CCOc1ccccc1	834948392	BOIDBGSHVHEBTH-UHFFFAOYSA-N	321.377	1.748	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cc(-c2cccnc2)on1	918367243	NYHAGODCFTWATG-UHFFFAOYSA-N	314.223	1.450	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	837651461	DUFIQZJDHCNALA-WCQGTBRESA-N	300.362	1.802	50	20	DDGD	
Cc1c(NNC(=O)C[C@H]2CCC(=O)N2C)cccc1[N+](=O)[O-]	830810067	FZDNXIMROQBFBJ-SNVBAGLBSA-N	306.322	1.357	50	20	DDGD	
CCOC(=O)CCCCOC(=O)/C(C#N)=C\c1cnn(C)c1	837973053	ZTABLZFMNOHGFX-JYRVWZFOSA-N	305.334	1.604	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)Cn1cc(C2CC2)cn1	834580212	GZLHIXQAURUHQX-UHFFFAOYSA-N	300.366	1.817	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)c1ccc2c(c1)OCCO2	749878564	FRTXVTPOJLOKIR-UHFFFAOYSA-N	313.313	1.236	50	20	DDGD	
O=C(CO)NN=C1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]12	834971039	UCRWXMHTZYJNHX-HOCLYGCPSA-N	301.390	1.526	50	20	DDGD	
O=C(O)COc1cccc(C(=O)NN=c2cc[nH]cc2Cl)c1	833259213	ACKFBZQUVRHYHU-UHFFFAOYSA-N	321.720	1.377	50	20	DDGD	
CCNCCCNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	841917254	CLZWGNQRCLMEFS-UHFFFAOYSA-N	320.437	1.928	50	20	DDGD	
Cc1cnn(CC(=O)NN=c2sc3ccccc3n2C)c1	917532260	GPIXFYNKOYFOGS-UHFFFAOYSA-N	301.375	1.377	50	20	DDGD	
C=CCOc1ccc(CC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	843659417	IGHKKXIENUYOTA-WFASDCNBSA-N	318.373	1.366	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2c[nH]nc2-c2ccncc2)n1	740107638	JFKPSINZFQXJAU-UHFFFAOYSA-N	324.348	1.085	50	20	DDGD	
Cc1nc(C(C)(C)C)nc(O)c1C(=O)NNC(=O)C1CCCC1	747358613	BJPJAPULLQJAFP-UHFFFAOYSA-N	320.393	1.739	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1ccc2c(c1)COC2	748253138	LFXNEWONNJONHG-GFCCVEGCSA-N	306.362	1.609	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCS[C@@H](C(C)C)C1	744423128	YKVQGPJLCHSMSG-CHWSQXEVSA-N	315.483	1.642	50	20	DDGD	
Cc1ccc2[nH]c(C(=O)NNC(=O)N3CCOCC3)cc2c1	745988153	RYWNJHDWCCDYFT-UHFFFAOYSA-N	302.334	1.163	50	20	DDGD	
NC[C@H]1CC[C@H](NC(=O)NNC(=O)c2ccc(Cl)cc2)C1	842010047	IKTGEVXGNDFMBI-CABZTGNLSA-N	310.785	1.411	50	20	DDGD	
CCN(C)c1ccc(C(C)=NNC(=O)N2CCOCC2)cc1	748076181	QYJGTBYDEFEJDO-UHFFFAOYSA-N	304.394	1.909	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2ccn(CC)n2)n1	844139387	ZZQVNEHVLHFPRD-UHFFFAOYSA-N	303.370	1.296	50	20	DDGD	
O=C(NN=C1CCc2c1cccc2[N+](=O)[O-])[C@@H]1CCCCO1	848412410	QGRIBTFTHRCOSH-AWEZNQCLSA-N	303.318	1.930	50	20	DDGD	
O=C(Cc1csc2nccn12)NNc1cccc([N+](=O)[O-])c1	748000651	QSTHGNRKVSGCMA-UHFFFAOYSA-N	317.330	1.990	50	20	DDGD	
COCCOc1cccc(C=NNC(=O)Cc2ccncc2)c1	747645241	BGNILBKGSFPSHZ-UHFFFAOYSA-N	313.357	1.800	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cnccc1C(F)(F)F	847391388	XEZWXPLNNAOMKL-UHFFFAOYSA-N	302.256	1.454	50	20	DDGD	
CCN1C[C@@H](CNC(=O)/C(C#N)=C\c2ccc(F)cc2)CC1=O	846461622	DVVOHOJLTTYITH-CRMJKIRDSA-N	315.348	1.717	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N[C@H]1CCCNCC1)c1ccccc1	841979201	RNVRXUCAFZPRKE-AWEZNQCLSA-N	318.421	1.437	50	20	DDGD	
O=C(NNC(=O)c1cc(O)nc(C2CC2)n1)NC1CCCCC1	847287388	SUHGWEVDLDADJT-UHFFFAOYSA-N	319.365	1.336	50	20	DDGD	
COc1cc(NC(=O)NNC=C(C#N)C#N)c(OC)cc1Cl	742025840	JETJUTABWBWBCE-UHFFFAOYSA-N	321.724	1.914	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1N	749253417	HNOOWJVRXHATKV-UHFFFAOYSA-N	314.301	1.560	50	20	DDGD	
O=C(Cn1ccc2ccc(F)cc21)NNC(=O)[C@@H]1CCCCO1	843600545	FBIKEWGFPRPTCJ-AWEZNQCLSA-N	319.336	1.497	50	20	DDGD	
CN(C)c1ccc(C(=O)NNc2ccnc(N(C)C)n2)cc1	740107967	SGBPRUBVTWEJAC-UHFFFAOYSA-N	300.366	1.366	50	20	DDGD	
O=C(O)Nc1cccc(C(=O)NNc2ncnc3[nH]cnc23)c1	740033780	NOAIHTRDPBRIDD-UHFFFAOYSA-N	313.277	1.200	50	20	DDGD	
O=C1C[C@H](CNC(=O)NNc2ccc(F)cc2Cl)CN1	922866252	MYLQORREYAYXIX-ZETCQYMHSA-N	300.721	1.241	50	20	DDGD	
N#Cc1ccc2c(c1)CCCC2=NNC(=O)C(=O)N1CCCC1	743437428	VHRIZMCVEXJMQO-UHFFFAOYSA-N	310.357	1.337	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CCCC(=O)NC(C)C)n1	747983918	TWPLNTKNKNAJLW-UHFFFAOYSA-N	313.789	1.576	50	20	DDGD	
Cn1nc(CNC(=O)NNC(=O)c2ccccc2)cc1C1CC1	927645393	ORGIHFOKKOIBQQ-UHFFFAOYSA-N	313.361	1.442	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCN(C2CCCCC2)C1	843979058	MBYGJCKGFHURBH-KCQAQPDRSA-N	323.437	1.213	50	20	DDGD	
CCNc1nc(C)c(C(=O)NNC(=O)CC(F)(F)F)s1	759218344	HISMVPWJPHAGRD-UHFFFAOYSA-N	310.301	1.597	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)CCC1(C)CC1	929246337	MOAUSHNLUGPDQN-UHFFFAOYSA-N	306.362	1.802	50	20	DDGD	
Cn1ncc(C2CC2)c1C=NNC(=O)c1cccc(C(=O)O)c1	853424851	AGWFTEKCPASADG-UHFFFAOYSA-N	312.329	1.760	50	20	DDGD	
CSSCCNC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]21	854395016	YYVARMWOVSIZMU-AXFHLTTASA-N	302.465	1.809	50	20	DDGD	
NC(=O)c1cc(C(=O)NNC(=O)c2cccc(Cl)c2)co1	758997565	LHHWWNHQICQUQH-UHFFFAOYSA-N	307.693	1.107	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccc3nn[nH]c3c2)C[C@H]1Br	857405313	QFWLIAAABTWALV-PWSUYJOCSA-N	309.167	1.861	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNC(=O)c1cccc(Cl)n1	857324760	MLTSAFRUJRVORQ-QMMMGPOBSA-N	313.741	1.085	50	20	DDGD	
CC(C)c1csc(CNC(=O)NNC(=O)c2cn[nH]c2)n1	858301726	GFNVSWYZEDPDRA-UHFFFAOYSA-N	308.367	1.134	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1ccc(-c2ccc[nH]2)cc1	757892853	URLYGRCVGXGKNU-UHFFFAOYSA-N	322.328	1.938	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2CCc3nccn3C2)C[C@@H]1Br	857385752	LPLFNZAEINDSCV-OUJBWJOFSA-N	312.211	1.735	50	20	DDGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCC(OCCO)CC1	757120058	GVERMXNHDLODOG-FZSIALSZSA-N	317.345	1.933	50	20	DDGD	
CCn1ccnc1[C@@H](C)NC(=O)NNc1ncc(Cl)cn1	856912738	QVYMBFOKLOLGCY-MRVPVSSYSA-N	309.761	1.734	50	20	DDGD	
CC(C)(C(=O)NNC(=O)OCC(F)(F)F)C1CCOCC1	856020409	GLFJFRQHVFGOKX-UHFFFAOYSA-N	312.288	1.759	50	20	DDGD	
O=S(=O)(CBr)NCc1cccc2c1CCCN2	850587767	JLMTZPSSBIIPHY-UHFFFAOYSA-N	319.224	1.817	50	20	DDGD	
Cc1ncc2n1CC[C@@H](C(=O)NNc1ncc(Cl)cn1)C2	857357810	DRONBWXZUFHONH-SECBINFHSA-N	306.757	1.341	50	20	DDGD	
Cc1ccc(OC(F)F)c(C=NNC(=O)N2CCOCC2)c1	756833455	IENLMFHJVNIHBF-UHFFFAOYSA-N	313.304	1.972	50	20	DDGD	
N#Cc1cccc(NNC(=O)Cc2ccc3c(c2)NC(=O)C3)c1	752626816	RBAXQHLAKUINST-UHFFFAOYSA-N	306.325	1.739	50	20	DDGD	
O=C(CCc1ccc(F)cc1F)NNC(=O)CC(F)(F)F	752285994	IVKVKQPTBBQUGO-UHFFFAOYSA-N	310.222	1.997	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc2c(N)ncnc2c1	854162700	SPSDTQJMZDDKGV-UHFFFAOYSA-N	303.322	1.382	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@@H]2CCCCN(C)C2)n1	858765437	BLLZDEUFGOVXRE-LBPRGKRZSA-N	307.398	1.448	50	20	DDGD	
CC(=NNC(=O)C(=O)NC(C)C)c1ccc(F)cc1N(C)C	759197982	ZBDUKGWFQBICPS-UHFFFAOYSA-N	308.357	1.257	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@@H](C(=O)O)C2)C[C@@H]1Br	857101437	XKCQTOZEJUOGHQ-VHSKPIJISA-N	305.172	1.276	50	20	DDGD	
CCC[C@H](CNC(=O)NNC(=O)c1cccc(C)n1)OCC	858411488	KCYVFDFNJWZUTL-GFCCVEGCSA-N	308.382	1.539	50	20	DDGD	
C[C@@]1(CNC(=O)N[C@@H]2CCCC[C@H]2N)C[C@@H]1Br	857105829	SQHBCHSYCHTHKL-SVDPJWKOSA-N	304.232	1.729	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C2CC(F)(F)C2)c1	753561907	DZOKWXIOQIEIBF-UHFFFAOYSA-N	312.316	1.875	50	20	DDGD	
O=C(Cc1n[nH]c2ccccc12)NNC(=S)NCC1CCC1	855091913	ITJHFRRIBRZVNE-UHFFFAOYSA-N	317.418	1.401	50	20	DDGD	
O=C(CC(=O)NNc1ccnc(Cl)c1)NCC(F)(F)F	855464967	BCUWVBODUOCTEZ-UHFFFAOYSA-N	310.663	1.247	50	20	DDGD	
C[C@H]1CC(=NNC(=O)COCc2ccccc2)CN1C1CC1	753958843	BLJBGIYSECINHR-ZDUSSCGKSA-N	301.390	1.932	50	20	DDGD	
O=C(Cc1ccc2c(c1)COC2)NNc1ncccc1[N+](=O)[O-]	758330553	YEEGVAJXJNBPLS-UHFFFAOYSA-N	314.301	1.706	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)CCc1ccccc1C	854281062	OGDWDTQOOYTUCW-UHFFFAOYSA-N	323.462	1.802	50	20	DDGD	
Cc1c(CC(=O)NC[C@@]2(C)C[C@H]2Br)cnn1C	857387624	KNANGGIIEVVLSC-ZYHUDNBSSA-N	300.200	1.561	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)c1cc(C)[nH]n1)OCO2	758878938	OBXBCHKCCYUSBY-UHFFFAOYSA-N	302.290	1.219	50	20	DDGD	
C[C@H](c1ccccc1F)[C@@H](O)C(=O)NNC(=O)OC(C)(C)C	864428876	JZMLGHVPNWUVPY-BXKDBHETSA-N	312.341	1.846	50	20	DDGD	
CSc1nc(O)c(C(=O)NN[C@H](C)C(F)(F)F)cc1C#N	862306889	FIUFSYZKAUHAAH-RXMQYKEDSA-N	320.296	1.566	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)c2cnccn2)[C@H](C)C1	761252144	FNBGFVDNVZVULP-GHMZBOCLSA-N	304.350	1.562	50	20	DDGD	
CC(=O)N/C(=C/c1cccs1)C(=O)NN[C@@H](C)C(F)(F)F	862322368	HVQRVPWWOHTYQV-FSEMZKDTSA-N	321.324	1.797	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CCO[C@@H](C)CC(C)C)n[nH]1	869013997	LQMBSKBKTJIORY-LBPRGKRZSA-N	310.398	1.249	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)c1	862475417	KBDGRUSPTPVXTD-UHFFFAOYSA-N	304.375	1.733	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2nn(-c3ccccc3)cc2O)CN1C	761804807	HITPRYGLXOIMKD-LLVKDONJSA-N	313.361	1.388	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCSC2)cc1C	761784094	RBPWNMJAJKDNOU-LBPRGKRZSA-N	308.403	1.583	50	20	DDGD	
C/C=C(\C)C(=O)OCC(=O)NNC(=O)Cc1ccccc1C	767370193	ZLPJXNWCRJJTOD-NYYWCZLTSA-N	304.346	1.194	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(C[C@@H](C)C(=O)OC)cc1	760087202	MULXBECAUOSHTN-SNVBAGLBSA-N	307.350	1.601	50	20	DDGD	
O=C(CCCn1cccn1)NNc1ncnc2ccsc12	766679359	YDZFFPHJYKMSMT-UHFFFAOYSA-N	302.363	1.811	50	20	DDGD	
COC(=O)c1cncc(C(=O)NNc2ccc(Cl)nc2)c1	774310263	DKSHTDPOMKLEBJ-UHFFFAOYSA-N	306.709	1.674	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1cncc(N2CCCC2)n1	870208217	AEZAFQDTIQAIMT-UHFFFAOYSA-N	323.360	1.710	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1ccc(Cl)cn1	773731873	XCWGMFCFQYJYHA-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
O=C(CNC(=O)c1cccc(O)c1)NNc1ccc(Cl)nc1	779381227	PDWDHNWLJLYFQY-UHFFFAOYSA-N	320.736	1.314	50	20	DDGD	
CCCCOc1ncccc1CNC(=O)NN(C)C(=O)OC	875154221	SHNRHRIGPJBDJX-UHFFFAOYSA-N	310.354	1.673	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H](OC)c1cccc(Cl)c1	875326525	LWSNDUWCNRXERB-NSHDSACASA-N	315.757	1.940	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1ccc(C#N)cc1F	772841865	UQRPVFBIQQDILD-UHFFFAOYSA-N	303.322	1.808	50	20	DDGD	
CCOc1ccc(CC(=O)O[C@H](C)C(=O)NNC(=O)CC)cc1	771845591	ITAAMVMPLLOKKS-LLVKDONJSA-N	322.361	1.117	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](F)c1ccccc1	772362941	GPAIYYVYTNDBGB-RISCZKNCSA-N	324.352	1.822	50	20	DDGD	
COC(=O)COc1ccc(NC(=O)NNc2ncccn2)cc1	775495784	BQVBKSZXQGKVPJ-UHFFFAOYSA-N	317.305	1.177	50	20	DDGD	
Cc1cc(NNC(=O)c2sc([C@@H]3CCOC3)nc2C)ncn1	878857813	YXEAJHCSBIXRHN-SNVBAGLBSA-N	319.390	1.811	50	20	DDGD	
CO[C@H]1CCC[C@H]1CNC(=O)NNC(=O)c1ccccc1O	775455745	WAKRNFHLLVWNQJ-GWCFXTLKSA-N	307.350	1.151	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)Nc1cnc2c(c1)CCCC2	879144725	HUEMIBOYIVGGAD-UHFFFAOYSA-N	318.377	1.540	50	20	DDGD	
CCCNC(=O)c1cccc(NC(=O)NN(C)CCOC)c1	878227303	PODFYDQNKALHLE-UHFFFAOYSA-N	308.382	1.441	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H]2c3c[nH]nc3CC[C@H]2C)n1	878968736	ZVQYOHAZUMMVGW-FUXBKTLASA-N	320.784	1.971	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C2(C#N)CCCC2)cn1	874954843	BOAHDDHIARUFIQ-UHFFFAOYSA-N	319.390	1.492	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)C(=O)Nc2cc(C)nc(C)n2)c1	873817459	XEBJHLNJOOEDJD-UHFFFAOYSA-N	313.361	1.792	50	20	DDGD	
NC(=O)CCOc1ccc(NC(=O)NNc2ccccn2)cc1	779048599	LAPUAIXXXVRKSC-UHFFFAOYSA-N	315.333	1.484	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NNc1ccc(F)cc1Cl	885136989	KUIWINAWCCXTJG-SNVBAGLBSA-N	315.776	1.891	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1Oc2ccccc2O[C@@H]1C	887140934	YLAOLNHEWLLIID-ABAIWWIYSA-N	302.330	1.166	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)N[C@H]1CCCc2sccc21	883621459	LOOWRDAGBJUJSF-JTQLQIEISA-N	317.374	1.560	50	20	DDGD	
Cc1ccc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)n1C	771964322	JESOEZZRFKOBRW-NSHDSACASA-N	309.366	1.072	50	20	DDGD	
CCOC(=O)[C@H](NS(=O)(=O)CCCCl)c1ccccc1	881958045	ZGMQADOZXFEGDX-GFCCVEGCSA-N	319.810	1.839	50	20	DDGD	
CC(C)(C)SCCNC(=O)NNC(=O)C1CCOCC1	883309835	VJKOYKJUQWTIDF-UHFFFAOYSA-N	303.428	1.275	50	20	DDGD	
Cc1ncc(C(=O)NNc2oc(C(C)C)nc2C#N)c(C)n1	777372683	GZQNDMSRMROKHB-UHFFFAOYSA-N	300.322	1.833	50	20	DDGD	
CC[C@@H](CO)C(=O)NNC(=O)c1ccc(OCCC(C)C)cc1	779724237	IAQPGTAGSJHUHU-ZDUSSCGKSA-N	322.405	1.891	50	20	DDGD	
CN(C)C(=O)[C@H]1CCC[C@H](NS(=O)(=O)CCCCl)C1	881899681	CLBBQVGDIMVAKK-QWRGUYRKSA-N	310.847	1.182	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1cccnn1)C1CCCCC1	883279130	JQCGJPJTSHOWIJ-GFCCVEGCSA-N	305.382	1.780	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1coc(-c2ccccc2)n1	883064111	PMBBMVDFFBVRNU-UHFFFAOYSA-N	315.329	1.529	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1	787334877	MWQNRSBVNCUWIB-HTQZYQBOSA-N	324.793	1.998	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@H]1COCc2ccccc21	883749875	SUSOHAUQUFSPQG-AWEZNQCLSA-N	319.361	1.015	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1CCCc2c(O)cccc21	887147867	FLCQVTVGGRTYSW-CQSZACIVSA-N	300.358	1.763	50	20	DDGD	
O=C(NN=C1CC[C@H](C(=O)O)c2ccccc21)[C@H]1CCOC1	789053633	ALBNBBVVDIRBSC-GWCFXTLKSA-N	302.330	1.505	50	20	DDGD	
O=C(NN=Cc1cnc2ccc(Br)cn12)C(F)F	782236043	OXWNRXBYVRYSPL-UHFFFAOYSA-N	317.093	1.812	50	20	DDGD	
CCn1nccc1NC(=O)NNc1cccc(C(=O)OC)c1	780642450	ZZAGLOKAYYMUBX-UHFFFAOYSA-N	303.322	1.838	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)c2ccnc(O)c2)c1	788254787	RPKXRGUMRZKROF-UHFFFAOYSA-N	315.333	1.638	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CCC[C@@H](C)CC1	785957817	MYPJTCLFWBWJBI-JHJVBQTASA-N	315.414	1.337	50	20	DDGD	
CC(C)Cn1cc(C(=O)NNc2ncccc2[N+](=O)[O-])cn1	782124935	YMYORORMYNYZMQ-UHFFFAOYSA-N	304.310	1.599	50	20	DDGD	
COC(=O)COc1ccccc1C(C)=NNC(=O)C1CCC1	783842863	PMYPTJQFGLQMRM-UHFFFAOYSA-N	304.346	1.879	50	20	DDGD	
C#CCCCC(=O)NNC(=S)Nc1ccc2c(c1)OCCO2	899620933	XPPXDCNERQTDBM-UHFFFAOYSA-N	319.386	1.579	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CCN2C(C)(C)C)c1F	897927376	KXVVBSXEHAGENB-LBPRGKRZSA-N	323.368	1.928	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H](C)c2cccc(O)c2)n1	793011083	VBGGGBROFQTZCD-NSHDSACASA-N	314.345	1.801	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1ccc2occc2c1	794878759	ISVLJKMPZBUXFF-ZDUSSCGKSA-N	315.373	1.851	50	20	DDGD	
CCOc1nc2ccc(C(=O)NNC(=O)C3CCC3)cc2[nH]1	791359377	LWZUHNVSAXJYRW-UHFFFAOYSA-N	302.334	1.523	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCc2cscn2)n1	793105357	STUSXUIVRKTCMU-UHFFFAOYSA-N	305.363	1.033	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)N=c2cc[nH]cc2)c1	795001946	GZHMBSHKIWYOON-UHFFFAOYSA-N	319.365	1.974	50	20	DDGD	
O=C(NNC(=O)c1cc(F)ccc1-n1cccn1)NC1CC1	793202115	SMIKPBZCRDKRTR-UHFFFAOYSA-N	303.297	1.118	50	20	DDGD	
O=C(CCc1cnc[nH]1)NNC(=O)c1cccc2ncccc12	793456503	TZENNEBHNHTYIO-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ccc(C(F)(F)F)cn2)CC1	792332383	JRVJVXBMCSEVEU-UHFFFAOYSA-N	323.296	1.121	50	20	DDGD	
CCOC(=O)[C@@H]1CSCN1S(=O)(=O)CCCCCl	798223720	RBYADTVYVMABKK-VIFPVBQESA-N	315.844	1.273	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc(C(F)(F)F)nc2)n1	794083701	LLESVEUEPITNOX-UHFFFAOYSA-N	324.262	1.879	50	20	DDGD	
CC[C@H]1CCC[C@@H]1NCC(=O)NNC(=O)c1cccc(C#N)c1	794576855	ZUJBVMROVFXLHC-ZFWWWQNUSA-N	314.389	1.488	50	20	DDGD	
CS(=O)(=O)c1ccc(COC(=O)/C(C#N)=C/C2CC2)cc1	792218563	CHQQZRMMBYJWMZ-MDWZMJQESA-N	305.355	1.993	50	20	DDGD	
CS(=O)(=O)/C(C#N)=C/c1ccc(Cl)cc1-n1cncn1	794939665	SRIWCEKHHAJVTR-NYYWCZLTSA-N	308.750	1.830	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(C)Cc2occc2C)c1	795152331	RWAWLUQNBWMUDO-UHFFFAOYSA-N	315.373	1.789	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNc1cccc(S(C)(=O)=O)c1	793778391	BUDKIDCCXZEUEA-GXFFZTMASA-N	314.407	1.594	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCc2cscn2)cc1	1324075996	SGHAYYVNSPRXHU-UHFFFAOYSA-N	320.374	1.338	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NNc2ncccn2)c(C)c1	1320409290	BREPCEPCXNKGII-UHFFFAOYSA-N	300.322	1.293	50	20	DDGD	
O=C(NNc1cncc(Br)c1)C1(F)CCOCC1	1329394565	VRMQPMJLLCDPSM-UHFFFAOYSA-N	318.146	1.806	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1cc(Cl)c(OC)cc1OC	1323497486	WMNWTLHLSFIWSU-UHFFFAOYSA-N	314.725	1.370	50	20	DDGD	
COc1cc(F)cc(NC(=O)NNc2nccnc2OC)c1	1320532129	SNXIDZHVMYPKMN-UHFFFAOYSA-N	307.285	1.782	50	20	DDGD	
Cn1c(C(=O)NNc2cccnn2)cc(Br)c1C=O	1320942874	DDPPMOJLMFWJQP-UHFFFAOYSA-N	324.138	1.147	50	20	DDGD	
C=C[C@H](COC)NC(=O)NNC(=O)c1cccc2ccccc12	1324022286	QJYCQGKIJYHILR-CYBMUJFWSA-N	313.357	1.985	50	20	DDGD	
CCc1nc(NS(=O)(=O)c2ccc(CCCl)cc2)n[nH]1	1324731371	IKQQTQZPMUPPTR-UHFFFAOYSA-N	314.798	1.949	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCOc2c(C)ccc(C)c21	1252526719	BTVORDJSFZSFOS-CYBMUJFWSA-N	320.389	1.958	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1cnc(C(F)(F)F)nc1	1333054452	WXRDSCTXNUQJPG-UHFFFAOYSA-N	303.244	1.448	50	20	DDGD	
COc1nc(N(C)C)sc1C=NNC(=O)C1CCOCC1	1333664558	KQYLRBKUQXCUFV-UHFFFAOYSA-N	312.395	1.094	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccn(CC(F)(F)F)n1	1336657986	ACCZBCQRDDKUCT-UHFFFAOYSA-N	302.256	1.010	50	20	DDGD	
C[C@]1(CNC(=O)N[C@H]2CC[C@H](CN)CC2)C[C@H]1Br	1333600836	NFELHJFPUYVYRH-PRULPYPASA-N	318.259	1.977	50	20	DDGD	
COc1cc(C=NNC(=O)c2cccnn2)c2c(c1)C[C@H](C)O2	1330908065	LQGLBSURLMIPJR-JTQLQIEISA-N	312.329	1.573	50	20	DDGD	
O=C(NCCCn1cc(CO)nn1)c1cccc(CCl)c1	1337235862	GZMMYRVGUUKELJ-UHFFFAOYSA-N	308.769	1.329	50	20	DDGD	
Cc1cc(Cl)cc(C)c1NC(=O)C(=O)NNc1cccnn1	1338694641	WIXOFXVIDFMWCS-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
C[C@@H](CBr)COC(=O)Cc1nnn(C(C)(C)C)n1	1330233547	SDSDZLHMZFSVBJ-QMMMGPOBSA-N	319.203	1.545	50	20	DDGD	
CCc1cc(C(=O)NNc2ccccc2S(C)(=O)=O)nn1C	1342108106	XJKRKGBSWFZKLC-UHFFFAOYSA-N	322.390	1.143	50	20	DDGD	
C[C@]1(COC(=O)c2c[nH]c(C(N)=O)c2)C[C@@H]1Br	1344035686	KUDZAYJROKXQQL-GZMMTYOYSA-N	301.140	1.444	50	20	DDGD	
Cc1cc(C(=O)NNc2cccnn2)n(C2CCOCC2)n1	1351522820	SDVGLKWQIZOUBW-UHFFFAOYSA-N	302.338	1.090	50	20	DDGD	
C[C@@H](OCc1cn(/C(Cl)=C/CBr)nn1)C(=O)O	1607427363	XKEBTQPNAMWSLN-ONJTYKPQSA-N	324.562	1.700	50	20	DDGD	
O=C(O)[C@@H](F)CNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	1608801171	JTHNGKVSRCHZRS-LITAXDCLSA-N	308.147	1.479	50	20	DDGD	
O=C(COc1ccccc1F)NN=Cc1ccc(C(=O)O)o1	1601345121	LAALSDKQLJNVRT-UHFFFAOYSA-N	306.249	1.646	50	20	DDGD	
O=C(O)[C@@H](CNS(=O)(=O)CCCCl)Oc1ccccc1	1602169918	OGQMZNNYKZSGMZ-LLVKDONJSA-N	321.782	1.067	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)c(F)c1)C(=O)c1ccc(F)cc1	1601554482	DURAHDXZIAOSTE-UHFFFAOYSA-N	320.251	1.989	50	20	DDGD	
Cc1cccc([C@@H](NC(=O)NNC(=O)C(=O)O)C(C)(C)C)c1	1600516497	OUGDUKOJJCNVQB-LLVKDONJSA-N	307.350	1.497	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CCCN2C2CC2)cc1C(=O)O	1610509616	MLIYXSICMDAINL-AWEZNQCLSA-N	303.362	1.763	50	20	DDGD	
CNc1ccccc1C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549905370	QSVJWUKUHSUORU-ZFWWWQNUSA-N	302.378	1.042	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1cc(C(=O)O)co1	1610675637	MIKLTOABGIUAQS-UHFFFAOYSA-N	306.249	1.121	50	20	DDGD	
CCn1nccc1[C@@H]1OCCC[C@@H]1C=NNC(=O)[C@@H]1CCOC1	1552450941	CENNZZAISONTLC-UMVBOHGHSA-N	320.393	1.509	50	20	DDGD	
C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](F)Cl)CC1	1827614460	OBECWDNSOXSRQR-GXTWGEPZSA-N	314.788	1.774	50	20	DDGD	
CC(C)(C)[C@H](N)CC(=O)NNC(=O)c1c[nH]c2ccccc12	1575113515	UWOBTIVLBPVUDW-CYBMUJFWSA-N	302.378	1.692	50	20	DDGD	
C[C@H](NC(=O)NN=c1cc[nH]c2cccnc12)C1CCNCC1	1579485598	ZYLYVWUGBYSQOE-NSHDSACASA-N	314.393	1.066	50	20	DDGD	
C=C(Cl)C[C@@H](N)C(=O)NNc1ccc(S(C)(=O)=O)cc1	1574857082	LTEYYLOZPBXMOM-LLVKDONJSA-N	317.798	1.003	50	20	DDGD	
NCc1cc(C(=O)NNC(=O)c2nc3ccccc3s2)co1	1580335282	LIYVYIIODIBOBG-UHFFFAOYSA-N	316.342	1.423	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)c2cncs2)C1	1842533266	UALVDLLGTSTDSB-VIFPVBQESA-N	317.773	1.495	50	20	DDGD	
CN(CC(=O)O)Cc1cn(/C(Cl)=C\CBr)nn1	1593722872	RLMGEVRMGIYDQI-WAPJZHGLSA-N	323.578	1.227	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)CCCCC(=O)O)nc1C	1591268449	GLTPBYHSKFHPNX-UHFFFAOYSA-N	324.337	1.050	50	20	DDGD	
COCC[C@@H](C)CNC(=O)NNc1ccc(F)c(C(=O)O)c1	1599210598	QVULWZIRCZWKOI-SECBINFHSA-N	313.329	1.823	50	20	DDGD	
N#Cc1c(F)cccc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1592686528	LKUDILVZEUPFFT-UHFFFAOYSA-N	323.291	1.634	50	20	DDGD	
COc1cccc(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)n1	1591634443	FADCSNLISXUDIT-UHFFFAOYSA-N	323.316	1.034	50	20	DDGD	
C[C@@]1(CNc2ncncc2-c2nn[nH]n2)C[C@H]1Br	1590135020	GRXQDBJJJPFPNY-XCBNKYQSSA-N	310.159	1.242	50	20	DDGD	
COC(=O)c1oc(C(=O)NNc2ccccc2C(=O)O)cc1C	1599018517	UUKSCOKXYBTYJC-UHFFFAOYSA-N	318.285	1.830	50	20	DDGD	
O=C(NN=Cc1c(F)cc(-c2nn[nH]n2)cc1F)c1ccc[nH]1	1593155348	IWULFFYPAKTNED-UHFFFAOYSA-N	317.259	1.237	50	20	DDGD	
Cn1c(C(=O)O)c(C=NNC(=O)C(F)F)c2cc(F)ccc21	1776054124	DEXSWBPYKYJNQV-UHFFFAOYSA-N	313.235	1.731	50	20	DDGD	
O=C(O)CCOc1ccc(C=NNC(=O)c2ncccn2)cc1	1776081448	PASKUIHZMAIPLU-UHFFFAOYSA-N	314.301	1.094	50	20	DDGD	
O=C([C@H](F)Cl)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C13CC(C1)C3)C2	1796810274	SGTIGHMGHICJGR-ZSRIXRNTSA-N	314.788	1.959	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1C	162317609	ZEFBQJPMUWZWKA-UHFFFAOYSA-N	304.350	1.404	50	20	DDGD	
Cc1nc(CC(=O)NNC(=O)NCc2ccco2)c(C)s1	165353479	GPWFQXVJUOLGOL-UHFFFAOYSA-N	308.363	1.426	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNC(=O)c2cc(C)n[nH]2)cc1	153317941	ARCDDXFXUPEDHM-UHFFFAOYSA-N	314.345	1.451	50	20	DDGD	
COc1ccc(NNC(=O)NCC[S@@](=O)C(C)(C)C)nc1	157320484	DMIBGTXUHMZKMS-NRFANRHFSA-N	314.411	1.264	50	20	DDGD	
CN1[C@H]2CC[C@H]1CC(N(C)S(=O)(=O)CCCCCl)C2	375615874	AUXVHYPFFHPZRV-RYUDHWBXSA-N	308.875	1.892	50	20	DDGD	
COC[C@]1(C(=O)O)CCN(C(=O)NCCSSC)C1	397839637	GBMFDSVAAHJRSV-NSHDSACASA-N	308.425	1.130	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H](C(C)C)N2CCCCC2)n1	104246578	UUVNGZBKLBKCSD-CYBMUJFWSA-N	307.398	1.439	50	20	DDGD	
O=C(CNC(=O)NCc1ccco1)NNc1ccc(F)cc1	56422243	FXHNPEDRZSZTRY-UHFFFAOYSA-N	306.297	1.361	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCCN1CCCC1	9797608	HPQHWAHNEPKVKY-UHFFFAOYSA-N	304.394	1.425	50	20	DDGD	
C[C@@H](C(=O)NNc1nc(Br)cn2ccnc12)C1CC1	176193778	LVYBLEKSRLZZIM-SSDOTTSWSA-N	324.182	1.981	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl	117757168	SSYNMWGBOQRVGB-UHFFFAOYSA-N	313.741	1.984	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1c(C)nn(C)c1Cl	54302450	FUUPKLUQJNORFA-FLIBITNWSA-N	310.785	1.832	50	20	DDGD	
CC(C)CC[C@H]1CCC[C@H]1NC(=O)NNC(=O)c1cnn(C)c1	172226507	WRNXVYIPKPMWCV-TZMCWYRMSA-N	321.425	1.969	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cnn(C(C)(C)C)c1C	110759881	YFLKEURFPFUVNE-UHFFFAOYSA-N	304.354	1.053	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1ccc2c(c1)CCO2	104831463	DNHVYWGRIAOKDL-UHFFFAOYSA-N	311.341	1.495	50	20	DDGD	
O=C(CC1CCCC1)NCC(=O)NNc1ncccc1Cl	114882995	JHQGINHWYWZDDO-UHFFFAOYSA-N	310.785	1.875	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccc([C@H](C)O)cc2)nn1	171603530	YHQMTININBLCBN-NSHDSACASA-N	301.350	1.665	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NNC(=O)Cc1ccncc1	174986377	LTNGIXMSYLAYQN-XQQFMLRXSA-N	304.394	1.033	50	20	DDGD	
CC[C@H](OC)C(=O)NNC(=O)Cc1ccc2ccccc2c1	66046613	HJDXSJIGZWVXIR-HNNXBMFYSA-N	300.358	1.955	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@H](C)OCC)cc1OC	60500671	HFUWXBITIQBGAB-SNVBAGLBSA-N	310.350	1.280	50	20	DDGD	
O=C1CN(NC(=O)CCCC[C@H]2CCSS2)C(=O)N1	29020019	PGUXWMIKJHZAPC-QMMMGPOBSA-N	303.409	1.284	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Cc1ccoc1	118983692	PQIPRPXZBVVMEK-SNVBAGLBSA-N	306.293	1.576	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NC[C@@H]2CCc3ccccc32)cn1	118074471	IJVIXLNCFWYXST-LBPRGKRZSA-N	313.361	1.094	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)c1	68195059	GEZDCVSBWYGLGI-ZIAGYGMSSA-N	319.405	1.255	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)Cc2cn3ccccc3n2)CC1	176606595	ZKQIUYCZJVTKIC-UHFFFAOYSA-N	315.377	1.397	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(N)=O)c1C	121199383	QTQALXFXEFNHGK-QENILXLESA-N	303.362	1.839	50	20	DDGD	
O=C(NNS(=O)(=O)C1CC1)c1cccc(OC(F)F)c1	171267321	SGMOFNLJAJOGDW-UHFFFAOYSA-N	306.290	1.015	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1ccc(OC(F)F)cc1)C(C)C	121783233	BJRAWNFPJBBVCR-GFCCVEGCSA-N	315.320	1.892	50	20	DDGD	
O=C(NNC(=O)[C@H]1SCCc2sccc21)[C@@H]1CCCO1	79552248	SBYJUTPKCGXVMP-ONGXEEELSA-N	312.416	1.405	50	20	DDGD	
CCC(=O)Nc1cccc(C(=O)NNc2ncc(F)cn2)c1	122825910	AGNHVIPNAGNTED-UHFFFAOYSA-N	303.297	1.721	50	20	DDGD	
C=C[C@H](CC(=O)NNC(=O)C(=O)NC(C)C)c1ccccc1	124385377	YMDRTIPQKOXDKO-GFCCVEGCSA-N	303.362	1.018	50	20	DDGD	
CCCN(CC#N)CC(=O)NNC(=O)c1ccccc1Cl	72579926	MAGOHRJODCLRCV-UHFFFAOYSA-N	308.769	1.337	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc(C(N)=O)c[nH]1	181277962	CXOBFYAWWYCWBL-UHFFFAOYSA-N	309.329	1.727	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)C1(C)CCCCCC1	182054873	KOWWEPGARGTVRD-UHFFFAOYSA-N	311.426	1.799	50	20	DDGD	
CC1(C)C[C@@H](NC(=O)NNC(=O)Cc2cccnc2)C(C)(C)O1	180994669	KFRXUBAELNMVJY-GFCCVEGCSA-N	320.393	1.301	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1cc(F)c(F)cc1F	180967620	JURQZQUMMINIGI-UHFFFAOYSA-N	317.267	1.236	50	20	DDGD	
Cc1sc(=O)n(CC(=O)NNc2cc(Cl)ccn2)c1C	182991084	BKRWJZZHNUSMTK-UHFFFAOYSA-N	312.782	1.718	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2ccnc(F)c2)c1	76960706	ZVWPTAWMMNHHMQ-UHFFFAOYSA-N	318.308	1.102	50	20	DDGD	
CC[C@@H]1C[C@H](C(=O)NNC(=O)COCc2ccccc2)CCO1	180226262	RMEBGFFTLWYMQC-HUUCEWRRSA-N	320.389	1.556	50	20	DDGD	
CC(C)CC(=O)N1CCC(NC(=O)NNc2cccnn2)CC1	77351232	BUSJDSWUZJPMOV-UHFFFAOYSA-N	320.397	1.140	50	20	DDGD	
CSc1cccc(C(=O)NNC(=O)c2ccc[nH]2)c1[N+](=O)[O-]	188019671	MCXREJPRTSDQCN-UHFFFAOYSA-N	320.330	1.720	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)NCC2CCC2)cc1	47053594	NEJVZRQDZABBED-UHFFFAOYSA-N	302.334	1.068	50	20	DDGD	
Cc1cc(F)cc(NC(=O)C(=O)NNc2cc(C)ncn2)c1	190141333	CBPMFDMRPHONBG-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
CC(=O)CSCC(=O)N/N=c1/sc2ccccc2n1C	195249617	XAYIMWDMODLUFT-FYWRMAATSA-N	309.416	1.494	50	20	DDGD	
Cc1cccc(CNC(=O)NNC(=O)Cn2nc(C)cc2C)c1	45701778	PLYFDVCZICLFCK-UHFFFAOYSA-N	315.377	1.339	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NN(C)c1ccccc1)N1CCOCC1	139764374	GWFAVJWGFJOWCC-MRXNPFEDSA-N	320.437	1.694	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNC(=O)c2ccncc2)ccc1C	192610927	BHXKQCVYYRMGDR-UHFFFAOYSA-N	312.329	1.423	50	20	DDGD	
CCCNC(=O)CCC(=O)NN=c1sc2ccccc2n1C	255208082	LQOLBNRFULLHRM-UHFFFAOYSA-N	320.418	1.478	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNC(=O)C(C)(C)c1ccccc1	268224868	SFJPVGHVEDPGNJ-LLVKDONJSA-N	306.362	1.311	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCCn2cncn2)cc1	263815032	OJEGLMYPDLPKQM-NTEUORMPSA-N	311.345	1.400	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NOCC(C)C)cc1	269720357	GGBDBPBRSQLFDS-UHFFFAOYSA-N	309.366	1.546	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@@H](C)[C@H]2CCOC2)c1	266620540	QYLMCJPCOBGRPR-STQMWFEESA-N	321.377	1.129	50	20	DDGD	
CC(=O)Nc1cccc([C@H](C)NC(=O)NNC(=O)C2CCC2)c1	264765602	UWSPKDNKBCEDNZ-JTQLQIEISA-N	318.377	1.837	50	20	DDGD	
CCN(CC)S(=O)(=O)NNC(=O)c1cc2ccccc2o1	267340102	HJKHFPVEWROPHV-UHFFFAOYSA-N	311.363	1.254	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	265729481	XCVBVHRMVDSBHN-VIFPVBQESA-N	321.308	1.605	50	20	DDGD	
Cn1cc2c(n1)CCC[C@@H]2C(=O)NNC(=O)c1ccc(C#N)cc1	366953375	OAOHEHSTBYBCAV-ZDUSSCGKSA-N	323.356	1.173	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc1	366109563	FKXHMGVCBXXYSF-LEWSCRJBSA-N	319.361	1.663	50	20	DDGD	
C=C(C)[C@H](CC(=O)NNC(=O)c1ccc(C)cc1O)OCC	270477904	STEUOIRVJQGKFZ-AWEZNQCLSA-N	306.362	1.833	50	20	DDGD	
COc1ccc(S(=O)(=O)N2CC=C(C#N)CC2)c(C)c1F	273454251	ACNURBPEXKNTCK-UHFFFAOYSA-N	310.350	1.987	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(NC(=O)CC(C)C)c(F)c1	274321413	XKEHSIIPEIXZIU-UHFFFAOYSA-N	311.313	1.811	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2cc3n(n2)CCCC3)n1	287390764	PKJWJKSIRAGLPL-UHFFFAOYSA-N	314.349	1.389	50	20	DDGD	
NC(=O)[C@H]1CC[C@H](C(=O)NNc2cc(Cl)cc(Cl)c2)O1	281445507	CFHZCXMDFAWIGA-NXEZZACHSA-N	318.160	1.469	50	20	DDGD	
CNC(=O)C1(C(=O)NNC(=O)Nc2ccc(C)cc2Cl)CC1	283822737	ZRLOEUHMPWWHED-UHFFFAOYSA-N	324.768	1.327	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)NCC(F)(F)F)c(Cl)n1	281208531	LJFCSDRJEIVZMU-UHFFFAOYSA-N	324.690	1.858	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)N[C@H](C1CC1)C(F)(F)F	288478715	VBDDBIBILPJIBP-LLVKDONJSA-N	316.283	1.295	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NNc1nc(-c2cccnc2)no1	280465982	HTOCNLYPOBBZJH-UWVGGRQHSA-N	315.333	1.580	50	20	DDGD	
COCCN(C)NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12	288526741	WMYKBHIWTGGMPO-UHFFFAOYSA-N	320.305	1.072	50	20	DDGD	
COc1cnc2ccccc2c1C(=O)NNC(=O)c1cccnc1	801798647	YYOMXRSXASPHET-UHFFFAOYSA-N	322.324	1.713	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1ccc(C2CCC2)cn1	297283132	ZJHDOPWXAHKGBM-LBPRGKRZSA-N	304.350	1.681	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C/c1cn(C)nc1C(=O)OCC	292750292	QWKZWDJLKUHTJT-DHZHZOJOSA-N	304.350	1.420	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCCC(=O)c1cccc(OC)c1	293323808	AHPHOCGMUCNMAT-UHFFFAOYSA-N	321.377	1.741	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)C(C)(OCC)OCC)no1	295285846	DKSYZINRDXRBSZ-UHFFFAOYSA-N	313.354	1.177	50	20	DDGD	
O=C(NCCCOc1ccccc1)NNC(=O)[C@H]1CCCCO1	296130757	CPBFEABMGIDHNS-CQSZACIVSA-N	321.377	1.355	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)[C@@H]1CCCO1)[C@@H]1OCCc2sccc21	294153191	VEJAKBPQMXJCOC-CDMKHQONSA-N	324.402	1.324	50	20	DDGD	
Cc1noc(C)c1CCNC(=O)NNc1ncc(F)cc1F	297715989	QMXKSBNBBLGVSN-UHFFFAOYSA-N	311.292	1.833	50	20	DDGD	
CC(=O)c1cc(NC(=O)NNC(=O)c2cccn2C)ccc1F	806570492	AYJOQNLZUUTSSV-UHFFFAOYSA-N	318.308	1.833	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)OCC(=O)C(F)F)cc(C#N)n1C	800125653	VIMAGNZPSBTKPZ-KMKOMSMNSA-N	307.256	1.490	50	20	DDGD	
O=C(CN1CCSC1=O)NNc1cc(C(F)(F)F)ccn1	295384087	PVTGTCFCQNCKHK-UHFFFAOYSA-N	320.296	1.712	50	20	DDGD	
Cc1cc(NC(=O)NNc2cccc(F)n2)nn1CCC#N	806381451	DUFBAPWSZBXDAT-UHFFFAOYSA-N	303.301	1.788	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)ccn1	802097578	OZTCNTYEVQJDIP-UHFFFAOYSA-N	314.301	1.585	50	20	DDGD	
Cc1nn(C)c2ncc(C(=O)NNC(=S)NC(C)(C)C)cc12	818515027	AQCKPDOFJJMEEW-UHFFFAOYSA-N	320.422	1.184	50	20	DDGD	
Cc1cc(C(=O)NN=C2CC(C)(C)Cc3nc(N)sc32)n[nH]1	814876336	SNAHGJDXSIQRSG-UHFFFAOYSA-N	318.406	1.863	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1nc2ccccc2cc1Cl	813529584	DIAXJABUGBLHEC-UHFFFAOYSA-N	307.737	1.420	50	20	DDGD	
N#Cc1cccc(C(=O)NN=C2CCCc3nc(N)ncc32)c1	814836259	KZZKLPGUZOPDQN-UHFFFAOYSA-N	306.329	1.401	50	20	DDGD	
Cn1nnc2c1C[C@H](C(=O)NN=c1cc[nH]c3ccccc13)CC2	810361014	GICANNSEJMLICQ-LLVKDONJSA-N	322.372	1.033	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2snnc2C)cc1OC	814212960	RDKGMMHSRMSKEC-UHFFFAOYSA-N	306.347	1.628	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CC[C@@H]2CNc3cccc1c32	814865684	WHQWPFLNCGJTOG-VXGBXAGGSA-N	317.389	1.861	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNc1cc(Cl)nc(N)n1	810956976	REWPXBWPILRABI-UHFFFAOYSA-N	301.737	1.379	50	20	DDGD	
O=C(NN=Cc1ccccc1-n1cncn1)c1ccc(O)c(O)c1	814921315	ZESKZJWRBQAQQC-UHFFFAOYSA-N	323.312	1.442	50	20	DDGD	
CN(NC(=O)c1c(Cl)cccc1S(C)(=O)=O)C1CC1	819650462	NEEZUJSOCPPDNM-UHFFFAOYSA-N	302.783	1.483	50	20	DDGD	
COCCC(COC)=NNC(=O)COc1cc(C)ccc1C	812223989	WATRFODLDCKWKA-UHFFFAOYSA-N	308.378	1.837	50	20	DDGD	
CC(=NNC(=O)Cn1nc(C)cc1C)c1ccc(F)cc1O	727778071	XOMWQWLAODLCMD-UHFFFAOYSA-N	304.325	1.885	50	20	DDGD	
O=C(NN=Cc1ccc(-c2nn[nH]n2)o1)c1ccc(Cl)cc1	823273517	QETXUHDQGAYHFJ-UHFFFAOYSA-N	316.708	1.877	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2ccc3c(c2)CCO3)n1	726272446	LAVLJXIVTLDUHD-UHFFFAOYSA-N	315.333	1.246	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@H](CO)C2CCCCC2)cn1	491134251	RFWFYZNWECBJKZ-KEQVLUGWSA-N	302.378	1.384	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC(c2ccc(O)cc2)CC1	827287434	KYGQILCQTBYNKA-UHFFFAOYSA-N	319.405	1.375	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CNC(=O)c1cccs1)C1CCC1	822970965	YWOGJEYISBQBHK-UHFFFAOYSA-N	323.418	1.452	50	20	DDGD	
COC(=O)CCN(CC(C)C)C(=O)/C(C#N)=C\c1cnn(C)c1	491162995	VAUKDJSGTZMMEN-AUWJEWJLSA-N	318.377	1.375	50	20	DDGD	
CCNC(=O)N(C)N=C[C@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2	496002875	DDAKPCQSJQXZQT-ABAIWWIYSA-N	310.398	1.891	50	20	DDGD	
CCCNC(=O)NNC(=S)Nc1cc(OC)ccc1OC	726482180	YZIPOZFAMNNHGQ-UHFFFAOYSA-N	312.395	1.614	50	20	DDGD	
CC(C)OCCCNC(=O)/C(C#N)=C\c1cnc(N(C)C)n1C	490976910	RVLJQTJPNZIXLY-LCYFTJDESA-N	319.409	1.324	50	20	DDGD	
CCC1CCC(N(C(=O)c2ccc(B(O)O)cc2)C2CC2)CC1	584933978	MQZNEEBVHWXXBT-UHFFFAOYSA-N	315.222	1.940	50	20	DDGD	
CCCCOc1ncccc1CNCc1ccccc1B(O)O	585019611	PJVXHHXQBKFABX-UHFFFAOYSA-N	314.194	1.230	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](CO)COC)c1C	491047463	IYKJGFBIQYCFFU-YMDFIQGPSA-N	319.405	1.545	50	20	DDGD	
C=CCC1(C(=O)NNc2nc(O)c3cnn(C)c3n2)CCCC1	825826467	COYQLGHKLCWAJC-UHFFFAOYSA-N	316.365	1.649	50	20	DDGD	
CCCCOc1ccc(CCNCc2ccc(B(O)O)o2)cc1	585017278	RZPJDSFHSMUXQK-UHFFFAOYSA-N	317.194	1.471	50	20	DDGD	
Cc1cnc(OC(C)C)c(NC(=O)NNC(=O)c2cc[nH]n2)c1	823630702	BSOQRGQJARDXDX-UHFFFAOYSA-N	318.337	1.367	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc2c(c1)C(=O)N(C)CC2	494365758	RVXNNKVZJRYIKJ-UHFFFAOYSA-N	306.322	1.097	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)c1ccccc1NC(=O)O	738893067	VWTFDCQDSJEUBO-UHFFFAOYSA-N	320.330	1.616	50	20	DDGD	
N#C/C(=C\c1cn(CC(=O)O)nn1)C(=O)Nc1ccc(F)cc1	490725797	KZDKBDBPOHGSGM-WEVVVXLNSA-N	315.264	1.047	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C	736628915	LDKPWLLBVBZPTB-DYEKYZERSA-N	321.396	1.949	50	20	DDGD	
C[C@]1(C(=O)NCc2ccc(C(N)=O)o2)C[C@H]1Br	906888334	DJZOFGGQNVWSKI-KCJUWKMLSA-N	301.140	1.168	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C	496868106	YVANGQQUSVJQHV-NWDGAFQWSA-N	315.414	1.289	50	20	DDGD	
CC(C)Oc1ncc(Cl)cc1NCc1ccc(B(O)O)o1	585044859	WINDCEHTMRHOQB-UHFFFAOYSA-N	310.546	1.407	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)/C=C/c2ccc[nH]2)cc1	493148088	IQIDIVWOJFDFPG-RMKNXTFCSA-N	300.318	1.889	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cnn2cccnc12)c1ccccc1	732001688	UEYPGLRHMAGLMH-CYBMUJFWSA-N	323.356	1.684	50	20	DDGD	
CC(=NNC(=O)c1cc(C)[nH]n1)C1CN(C(=O)OC(C)(C)C)C1	492459115	SWPQJIYAEDGHNF-UHFFFAOYSA-N	321.381	1.691	50	20	DDGD	
O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@@H](B(O)O)C2)o1	585077729	XTAIFDYFBVFISO-LLVKDONJSA-N	316.122	1.904	50	20	DDGD	
Cc1ccncc1[C@H](C)NC(=O)NNC(=O)[C@H]1CCCCO1	838534902	TZKSAOCYKYSCLI-WCQYABFASA-N	306.366	1.351	50	20	DDGD	
CCOC(=O)Nc1ccc(C(=O)NNc2cccnn2)cc1	495301539	FXVXLVFQLVHVEN-UHFFFAOYSA-N	301.306	1.802	50	20	DDGD	
C[C@H]1CN(Cc2ccccn2)CCC1=NNC(=O)NCC1CC1	734365842	VDDDVAUJWONWNO-ZDUSSCGKSA-N	315.421	1.989	50	20	DDGD	
C[C@]1(C(=O)N2CC(=O)N(CC3CC3)C2)C[C@@H]1Br	907846935	DWUMRHAOKZLMDL-CABZTGNLSA-N	301.184	1.198	50	20	DDGD	
Cc1nc(-c2cccs2)ccc1C(=O)N1CC[C@H](B(O)O)C1	585064022	BKQAZCUKJDDKRU-NSHDSACASA-N	316.191	1.807	50	20	DDGD	
COc1ccc(F)cc1[C@@H](C)NCc1ccc(B(O)O)cc1F	585017150	NLKDHUCQTYHSOW-SNVBAGLBSA-N	321.132	1.504	50	20	DDGD	
COC1(c2nc(-c3ccc(B(O)O)cc3)no2)CCCCC1	585055321	WQOHNPOIZIGHKP-UHFFFAOYSA-N	302.139	1.222	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C)[C@@H](C)Cc1cccc(F)c1	839197083	ZOMDUCGPIXGBLZ-LBPRGKRZSA-N	309.385	1.492	50	20	DDGD	
Cc1cc(C)c(C)c(OCCCNCc2ccc(B(O)O)o2)c1	585017702	IOKOGYFKMQDMFB-UHFFFAOYSA-N	317.194	1.443	50	20	DDGD	
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NNc1ccc(OC)cn1	907590930	SFAAKLLYLJUCOB-NWDGAFQWSA-N	307.350	1.513	50	20	DDGD	
C#CCCCC(=O)NN=Cc1ccccc1O[C@H](C)C(=O)OC	901326914	WEKAFMGSXSJXCJ-CYBMUJFWSA-N	316.357	1.881	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1CNC(=O)NNC(=O)COc1ccccc1O	836621543	MXLTXYLLWVUZRR-RYUDHWBXSA-N	321.377	1.394	50	20	DDGD	
Cc1ccc([C@H]2CCCN2C(=O)c2ccc(B(O)O)cc2)s1	584947065	FOADLUWTRSGDBU-CQSZACIVSA-N	315.203	1.714	50	20	DDGD	
O=C(NCB(O)O)c1cc(-c2ccccc2)n(-c2ccccc2)n1	585061848	JOGJMUMWCUKBDD-UHFFFAOYSA-N	321.145	1.281	50	20	DDGD	
CC(C)C(=O)NNC(=O)NC[C@@H]1CCCN1Cc1ccccc1	734173089	YIVRLJGNNUXWNM-HNNXBMFYSA-N	318.421	1.637	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)CC(F)(F)F)c1ccccn1	838641830	CFPBAPVHIKHXLI-UHFFFAOYSA-N	318.299	1.642	50	20	DDGD	
CC[C@@H](C)C(=O)NN=Cc1c(Cl)nc(N)nc1N1CCCC1	915973544	AADHGUSZSJWLAV-SECBINFHSA-N	324.816	1.809	50	20	DDGD	
Cc1ccc(Cl)c(OCC(=O)NNc2nccn(C)c2=O)c1	747941856	QIVAVQUMORGLCW-UHFFFAOYSA-N	322.752	1.264	50	20	DDGD	
COc1ccc(OCCNC(=O)NNC(=O)CC(C)C)cc1	916214040	LPEDMVSLIYZJRP-UHFFFAOYSA-N	309.366	1.451	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)NC1CC(CO)(CO)C1	913311223	RJJPCCDWBGFXBP-GFCCVEGCSA-N	319.492	1.950	50	20	DDGD	
COC[C@@H](Cc1ccccc1)NC(=O)NNc1cccnn1	746778461	BSRMWDUGHNMHIY-CYBMUJFWSA-N	301.350	1.360	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H](C)c1nc(C(C)(C)C)no1	745919434	GQUWQAAFWFSNLS-SECBINFHSA-N	311.386	1.805	50	20	DDGD	
CNCCNC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	841935930	IMFFPXXBDLOPFY-SECBINFHSA-N	310.423	1.036	50	20	DDGD	
Cc1nccn1CCNC(=O)NNC(=O)c1cccc(Cl)c1	749214913	KPJLAFZYVNLPDO-UHFFFAOYSA-N	321.768	1.489	50	20	DDGD	
CCOC(=O)[C@H](CC(C)C)NNC(=O)c1cccc(Cl)n1	849322534	DRMIUIJNBIOWKI-NSHDSACASA-N	313.785	1.947	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cn2cccn2)c2ccccc2n1	842479519	OPJFWCMGUHATGC-UHFFFAOYSA-N	309.329	1.201	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H](C)CCCCN)cc1	841993321	BMERYFVPBYBXSL-GFCCVEGCSA-N	306.410	1.711	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@H](C)NC(=O)NNc1nc2ccccn2n1	840422949	FYNKEPKYMGPKIP-ZUZCIYMTSA-N	318.381	1.559	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)CC1(COC)CC1	844129669	RFKDNKLKXRYPAO-UHFFFAOYSA-N	320.389	1.592	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1ccc(Br)o1	842557452	DLRDNJFBAKQGQD-VXNVDRBHSA-N	301.140	1.917	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NC1CCC(CS(C)(=O)=O)CC1	840725899	KQXTTXLELYYRTN-FMIVXFBMSA-N	314.407	1.150	50	20	DDGD	
Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)NN)cc2)c1	916665629	TVWHKTDZDACQTH-UHFFFAOYSA-N	320.370	1.675	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCCC1=NNC(=O)NCC(F)(F)F	741462122	XTTYYQHMCZKMMX-MRVPVSSYSA-N	315.317	1.191	50	20	DDGD	
CN(C)c1cccc(CNC(=O)NNC(=O)CC(F)(F)F)c1	748466824	MQRLMMPFPXNDSW-UHFFFAOYSA-N	318.299	1.535	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Nc2nnn(C)c2C)cc1	841791831	IXJAIOPMCCYAHG-UHFFFAOYSA-N	302.338	1.152	50	20	DDGD	
CCn1nncc1C=NNC(=O)[C@H](C)CN1CCC(C)CC1	841614873	RTCQUUIMHDSQTF-CYBMUJFWSA-N	306.414	1.116	50	20	DDGD	
C[C@@H](Cc1cnc[nH]1)C(=O)NNC(=O)CCOc1ccccc1	847406179	GOYJCLAJDOXGOY-LBPRGKRZSA-N	316.361	1.205	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NNc1nc(-c2ccncc2)no1	746201987	SEKDGQBPWKAQDK-GHMZBOCLSA-N	316.365	1.448	50	20	DDGD	
O=C(/C=C/c1ccccc1)NCCCNS(=O)(=O)CCl	747178330	GCESAXFUGPHGRA-BQYQJAHWSA-N	316.810	1.322	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)s1	843649815	XRDOAEYSYYOTBB-QWRGUYRKSA-N	324.402	1.592	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@@H](C)c2ccco2)cc1	743298363	UEPDEOZDQDVDJL-NSHDSACASA-N	317.345	1.651	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H](C)[C@](C)(OC)C2CC2)n1	841589264	GBYIUTIPPFCKGR-BONVTDFDSA-N	308.382	1.920	50	20	DDGD	
CCNC(=O)NN=Cc1c[nH]nc1-c1ccc2c(c1)OCCO2	920825217	PHBHRGFGEZCFQY-UHFFFAOYSA-N	315.333	1.501	50	20	DDGD	
C[C@H]1CN(CC(=O)NNC(=O)C2CC2)c2cccc(Cl)c2O1	846902811	UTAXJCVIQOHXBT-VIFPVBQESA-N	323.780	1.485	50	20	DDGD	
CNCCCNC(=O)NNC(=O)Cc1cccc2ccccc12	841916175	ZYOHJXPJKUVTKS-UHFFFAOYSA-N	314.389	1.322	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C1CC2(CCC2)C1	843517561	KVNYLXHXCGCJAL-AWEZNQCLSA-N	316.357	1.554	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CN(C3CC3)C[C@H]2C)cc1	755885484	DWIXAIHMBGJOAK-GFCCVEGCSA-N	314.389	1.520	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1noc2c1CCCCC2	855089534	VBOSWZNOJRACGL-UHFFFAOYSA-N	322.434	1.853	50	20	DDGD	
O=C(Cn1nnc2c1CCCC2)NNc1ccnc(Cl)c1	855466785	XMHVGAGZJCFYSE-UHFFFAOYSA-N	306.757	1.349	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)NC(=O)CO2	755516585	SZWXAAORUNACBA-MRVPVSSYSA-N	306.322	1.216	50	20	DDGD	
COc1ncc(C)cc1NC(=O)NNC(=O)c1ccncc1	756848757	NXQBYRTXSYYMSG-UHFFFAOYSA-N	301.306	1.260	50	20	DDGD	
Cc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)CC(F)(F)F	855000679	MWZHGVRCQGCZQZ-UHFFFAOYSA-N	305.212	1.617	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCCc1ccc(C#N)cc1	854294310	ABPGAWIONSIOAY-UHFFFAOYSA-N	304.350	1.840	50	20	DDGD	
Cc1occc1C=NNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C	853373765	MWNZCYRBLZUBSP-ZIAGYGMSSA-N	316.361	1.940	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1ncc(Cl)cn1	857356912	ZJAHDMDVSCLQFL-UHFFFAOYSA-N	301.734	1.052	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2ncnc3ccsc23)CCC1	752127404	MADDGFYUJNDWDD-UHFFFAOYSA-N	320.374	1.868	50	20	DDGD	
COCC(COC)NC(=O)NNc1ccc(Cl)cc1C	922726696	XJMBCMIBNVPDDU-UHFFFAOYSA-N	301.774	1.936	50	20	DDGD	
O=C(C[C@H]1CCC(=O)N1)NNc1cc(Cl)nc(Cl)c1	854989891	CPRHARYYPJLHSC-ZCFIWIBFSA-N	303.149	1.500	50	20	DDGD	
C[C@H](CC(=O)NNC(=S)NCC1CCC1)c1ccncc1	855090704	MREBDKBMSVUEND-LLVKDONJSA-N	306.435	1.871	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NNc1ncccc1[N+](=O)[O-]	759285545	MJEDVHRHNXVTQA-ZJUUUORDSA-N	310.310	1.017	50	20	DDGD	
COC(=O)c1coc(C=NNC(=O)COc2ccccc2F)c1	758073767	MSBYDODTYXWBLR-UHFFFAOYSA-N	320.276	1.734	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(C(=O)OC)cc1	929665479	WKCFQSMLTIOPAZ-UHFFFAOYSA-N	303.318	1.429	50	20	DDGD	
C[C@@](CO)(NC(=O)NC[C@@]1(C)C[C@@H]1Br)C1CC1	856955813	ZKOHSRMAYMCTSB-WCQGTBRESA-N	305.216	1.620	50	20	DDGD	
COc1ccccc1C[C@H](C)CC(=O)NNC(=O)c1cc[nH]n1	855358366	HVTTVTYZSGHHME-NSHDSACASA-N	316.361	1.448	50	20	DDGD	
O=C(NNC(=O)C1CC2(CC2)C1)Nc1ccc2c(c1)OCO2	854378084	GBDCDOAVPQVSAR-UHFFFAOYSA-N	303.318	1.758	50	20	DDGD	
CC(C)(C)c1ccccc1C(=O)NNC(=O)Cc1cc[nH]n1	755283444	XLCMJBUYRAVGNF-UHFFFAOYSA-N	300.362	1.711	50	20	DDGD	
CC1=C(C(=O)OCC(=O)NNC(=O)c2ccccc2)CCCO1	756445036	YDNNQFLEVMLODL-UHFFFAOYSA-N	318.329	1.075	50	20	DDGD	
C[C@]1(CNC(=O)NOCC(F)(F)F)C[C@@H]1Br	856844642	WOUJVISVCFXTPM-CAHLUQPWSA-N	305.094	1.953	50	20	DDGD	
CC[C@@H](CN1CCCC1)NC(=O)NNC(=O)OC(C)(C)C	758849150	UDKGUSDXPBNJAI-NSHDSACASA-N	300.403	1.600	50	20	DDGD	
O=C1CCCC12CCN(S(=O)(=O)CBr)CC2	851811275	URVYMPIBCCFXTA-UHFFFAOYSA-N	310.213	1.504	50	20	DDGD	
O=C(NCCN1CCOCC1)NNc1cc(F)cc(Cl)c1	853214817	MUNLWEFCKQYKCM-UHFFFAOYSA-N	316.764	1.437	50	20	DDGD	
C[C@]1(CNc2ncnc(-n3cccn3)c2N)C[C@@H]1Br	856788070	UTOAWSWKRRTAPJ-QPUJVOFHSA-N	323.198	1.830	50	20	DDGD	
C[C@]1(CNC(=O)NCC2(N)CCCC2)C[C@H]1Br	857106660	WBXJIZZZQPEQEF-MWLCHTKSSA-N	304.232	1.731	50	20	DDGD	
C[C@H](CO)CCCNC(=O)NNC(=O)CCc1ccccc1	759630257	AVXRJRHINHNGSS-ZDUSSCGKSA-N	307.394	1.358	50	20	DDGD	
C[C@H]1CCCN(C[C@@H](C)NC(=O)NNc2ccc(F)cn2)C1	753916760	ZRCGEYBTEILXAA-NWDGAFQWSA-N	309.389	1.967	50	20	DDGD	
Cc1ccsc1CCCC(=O)NNC(=O)Cc1cc[nH]n1	755276814	LWOUILDDGNFWIS-UHFFFAOYSA-N	306.391	1.492	50	20	DDGD	
CSCCNC(=S)NNC(=O)CNc1ccccc1F	752733354	ISQHFVDJCGKKDT-UHFFFAOYSA-N	316.427	1.096	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc(Cn2cccn2)c1	768547177	MMSFNZXYFGUJDY-UHFFFAOYSA-N	316.365	1.629	50	20	DDGD	
O=C(/C=C/CN1CCOCC1)NNc1cc(F)cc(Cl)c1	869256867	SFHCDWYASDSCLH-OWOJBTEDSA-N	313.760	1.811	50	20	DDGD	
CC(=O)N1CCc2cc(NC(=O)NNC(=O)C3CC3)ccc21	764613228	LQLTUSUNMBQUEH-UHFFFAOYSA-N	302.334	1.158	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2cncnc2)cc1	760622607	ZZTFLSDTJFYDPH-UHFFFAOYSA-N	302.359	1.338	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)NCCCF)cc1OC	767961168	MSAASWUCXCITMB-UHFFFAOYSA-N	313.329	1.398	50	20	DDGD	
COCCOCCC(=O)NNc1nc2ccccc2[nH]c1=S	862292878	GNPXVZZTUPZOPP-UHFFFAOYSA-N	322.390	1.789	50	20	DDGD	
O=C1NCCC[C@@H]1C(=O)NNc1ccccc1Br	866869332	ZFPHUMNSSCXBES-QMMMGPOBSA-N	312.167	1.418	50	20	DDGD	
COCCCn1cc(C(=O)NNc2ccc(Cl)cn2)cn1	862219184	IRRMWVXBDOGWHM-UHFFFAOYSA-N	309.757	1.725	50	20	DDGD	
CSCc1ccc(C(=O)NNC(=O)Cc2cc(C)[nH]n2)cc1	869013334	WPRQWIFYXIXDSC-UHFFFAOYSA-N	318.402	1.585	50	20	DDGD	
CCn1cc(C(=O)NNCC(F)(F)C(F)(F)F)c(C)n1	863103269	RYNNXDITPWTEBV-UHFFFAOYSA-N	300.231	1.643	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2sccc2Br)N1	863153376	SNBIWUSVIWIFPX-ZETCQYMHSA-N	316.180	1.239	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCCc1ccc(CO)cc1	867059207	SVLAADDOWSQOIX-UHFFFAOYSA-N	319.854	1.906	50	20	DDGD	
Cn1ncc([N+](=O)[O-])c1C(=O)NNc1cc(F)c(F)c(F)c1	767092832	FBKUNMVBAJSOOO-UHFFFAOYSA-N	315.211	1.503	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C[C@@H]2CCC[C@@H](C(F)(F)F)C2)N1	863150637	APLHZKKZWSKUIC-OPRDCNLKSA-N	305.300	1.736	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1cn(C2CC2)nn1	862001419	XHTCWOQWVIXQOF-UHFFFAOYSA-N	321.772	1.937	50	20	DDGD	
COCCOCC(=O)NNC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1	869912683	WOTCRDKCSUZCBM-AAEUAGOBSA-N	324.377	1.146	50	20	DDGD	
CC[C@@H]1C[C@H](C)CCC1=NNC(=O)[C@H]1CCS(=O)(=O)C1	769570594	RFTHANTUKVEHBB-UTUOFQBUSA-N	300.424	1.740	50	20	DDGD	
Cc1cccnc1[C@H]1CCCC(=NNC(=O)[C@H]2CCC(=O)N2)C1	863153074	MEJCAXRNASAIAF-GXTWGEPZSA-N	314.389	1.798	50	20	DDGD	
COc1ccc(C(=O)C(=O)NN=c2cc[nH]cc2)cc1Cl	760944507	QAHRVBAVGJSCIM-UHFFFAOYSA-N	305.721	1.492	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCc2c(F)cccc21	763921979	ZHJINXUATBATCI-NSHDSACASA-N	307.369	1.770	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC2CCCCC2)c(O)c1	769601259	DCWADYAKNYOYTM-UHFFFAOYSA-N	307.350	1.678	50	20	DDGD	
NC(=O)[C@H](Cc1ccc(Cl)cc1)NNC(=O)C1CCCC1	760577830	UGFZUTRGTWCECK-ZDUSSCGKSA-N	309.797	1.547	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cccc2cccnc12)N(C)C	765337126	MNCMZVZKBUDKSM-ZDUSSCGKSA-N	300.362	1.336	50	20	DDGD	
CCn1ncc(C(=O)NNc2ccnc(N(C)C)n2)c1C1CC1	878919051	AEJJNPDSWNIWOQ-UHFFFAOYSA-N	315.381	1.393	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Cn1nc(C(F)F)cc1C1CC1	874062252	YZPYLWKHVVPFQI-UHFFFAOYSA-N	314.336	1.892	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCCN1CCc2ccccc21	875073308	JJAFZRFIMTXKCB-UHFFFAOYSA-N	306.366	1.352	50	20	DDGD	
CC(C)C[C@](C)(CC(=O)O)C(=O)NNC(=O)c1ccccc1	872831991	XFQJZHBVPSQOSS-MRXNPFEDSA-N	306.362	1.975	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cc(-n2ccnc2)ccc1O	874061570	PHWGHRVZGPVWJY-UHFFFAOYSA-N	302.334	1.385	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C(C)=O)s1	771913365	VQKJXDBLXITNHM-MRVPVSSYSA-N	312.347	1.053	50	20	DDGD	
O=C(NNc1ncccc1F)c1ccc(CN2CCOCC2)o1	879921825	URVWJRDMDXWKTR-UHFFFAOYSA-N	320.324	1.403	50	20	DDGD	
CCN(CC)[C@H](CNC(=O)NN(C)C(=O)OC)CC(C)C	875048438	SPKGGKKOTVQSAW-LBPRGKRZSA-N	302.419	1.655	50	20	DDGD	
C#CCOCCC(=O)NNC(=S)Nc1ccccc1OC	873769923	TYYSEPXYZXTDLL-UHFFFAOYSA-N	307.375	1.053	50	20	DDGD	
COC(=O)Cc1occc1C(=O)NNc1ccccc1[N+](=O)[O-]	773928471	KDGFRGANKUPXFE-UHFFFAOYSA-N	319.273	1.660	50	20	DDGD	
CC[C@H](NNC(=O)[C@@H]1CCO[C@H]1C)C(=O)Nc1ccc(C)cc1	871888357	ACQZPACMIYUCIU-CFVMTHIKSA-N	319.405	1.758	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CCO[C@@H](C)C2)cc1C	773189612	JHMPJRMAJSSWEL-LBPRGKRZSA-N	303.362	1.913	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H](C)S[C@@H](C)C(=O)O)cc1	872832278	YYMRVBKHQFDLLS-UWVGGRQHSA-N	324.402	1.605	50	20	DDGD	
O=C(NNC(=O)c1nc2ccccc2s1)NOCC1CCC1	875752491	DVDQFVLHELONTQ-UHFFFAOYSA-N	320.374	1.972	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)C1(O)CCC1	873853596	GBQNJVYHVHQGBZ-UHFFFAOYSA-N	307.419	1.790	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)CCC1CCCCC1	872373829	KYEDXSYNEJTTIA-WCQYABFASA-N	318.439	1.332	50	20	DDGD	
COC(=O)Cn1ccc(NC(=O)NNc2ncccc2Cl)n1	770035607	QVORMOSIQNIWHL-UHFFFAOYSA-N	324.728	1.253	50	20	DDGD	
COc1c(C(=O)OC[C@H](C)CBr)c(C)nn1C	770372129	WVOJFVWLEGHPIL-SSDOTTSWSA-N	305.172	1.925	50	20	DDGD	
N#CCN(CC(=O)NNC(=O)c1cccs1)C1CCCC1	777589115	QMGMONRQQUKQEV-UHFFFAOYSA-N	306.391	1.277	50	20	DDGD	
Cc1nn(C)c(=O)c(C(=O)NNc2cc(Cl)ccn2)c1C	778449386	MOXAHWZIBXJFAS-UHFFFAOYSA-N	307.741	1.202	50	20	DDGD	
CCN(CC(OC)OC)C(=O)/C(C#N)=C\c1ccc(O)cc1	1123905422	NGZRXINOXIOBMY-LCYFTJDESA-N	304.346	1.767	50	20	DDGD	
COC(=O)[C@H]1CSCCN1CCI	887077624	QBELGRMEUITIMQ-SSDOTTSWSA-N	315.176	1.012	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c1	783505809	JTEIWNWFCZELAF-PGUXBMHVSA-N	318.373	1.901	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1ccc2c(c1)CC(=O)N2C	1122296187	PZZPISGUGZKKCP-UHFFFAOYSA-N	318.377	1.082	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC[C@H](CCO)C1	787454161	UYTCIMTXWXSQJW-MFYHJKBNSA-N	300.358	1.920	50	20	DDGD	
COc1cccc(OC)c1SCC(=O)NNC(=O)C1CC1	788817424	ABSBVOASLWNRNC-UHFFFAOYSA-N	310.375	1.353	50	20	DDGD	
COCCOc1ncccc1C(=O)NNc1ncncc1Cl	781829475	JTGJSRXLEIMWJD-UHFFFAOYSA-N	323.740	1.307	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)NCc1ccc(Cl)cc1)C(C)C	787431680	OBJFZKBCLOILSF-GFCCVEGCSA-N	313.785	1.841	50	20	DDGD	
Cc1cccc(CC(=O)NNc2ccccc2S(N)(=O)=O)c1	788224289	SFLWSIISNKMPAP-UHFFFAOYSA-N	319.386	1.328	50	20	DDGD	
O=C(CCCc1ccc(O)c(F)c1)NNC(=O)CC(F)(F)F	787995580	CKKVADJNCBJZDI-UHFFFAOYSA-N	322.258	1.954	50	20	DDGD	
CC(C)(N)CCNC(=O)NNC(=O)c1cc2c(s1)CCC2	892859626	HAZPALADBDYVHV-UHFFFAOYSA-N	310.423	1.308	50	20	DDGD	
CCn1nc(C)c(CNC(=O)NNc2cccc(OC)n2)c1C	780004937	BYOAGLLZALQNPN-UHFFFAOYSA-N	318.381	1.750	50	20	DDGD	
CCOC1CC(CC(=O)NNC(=O)COc2ccccc2F)C1	788699081	QXZOJHCGCKHOPN-UHFFFAOYSA-N	324.352	1.557	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C)nc2)cc1	893072625	PCROBYJVHVKVRJ-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
NC(=O)[C@H]1CCC[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2)C1	787133675	KTRPEJIKKHFMGC-VHSXEESVSA-N	306.322	1.330	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(COC(=O)/C(C#N)=C/C2CC2)o1	786681286	TWEIFIISFSLTQG-YRNVUSSQSA-N	324.358	1.433	50	20	DDGD	
Cn1c(Cl)cnc1C=NNC(=O)Cc1cn2ccccc2n1	799482060	OPVYZZGQCRGJGE-UHFFFAOYSA-N	316.752	1.414	50	20	DDGD	
CO[C@H]1CCC[C@H](CC(=O)NNC(=S)NCCSC)C1	793767827	SNSWVOJJGQOHMN-QWRGUYRKSA-N	319.496	1.440	50	20	DDGD	
C[S@](=O)c1ccc(CC(=O)NNc2cccc(C#N)c2)cc1	797947981	ZZFSRLULRACNNQ-QFIPXVFZSA-N	313.382	1.981	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2ccc3c(c2)COC3)n1	794089513	GHMGXZRXUOYVDP-UHFFFAOYSA-N	311.341	1.424	50	20	DDGD	
COc1ccc(O)c(C=NNC(=O)c2ccc(O)c(O)c2)c1	794550704	IYCHFUUCZLOKPK-UHFFFAOYSA-N	302.286	1.576	50	20	DDGD	
CC(C)(C(=O)NNC(=O)COCc1ccccc1)C(F)F	791604691	OCVATJVNJGVKBE-UHFFFAOYSA-N	300.305	1.642	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1O	792542305	RPHJDQVBEMPURS-UHFFFAOYSA-N	315.285	1.684	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cn(C)c2ccc(F)cc12	794849696	FLDIRCGHWKTXJV-NSHDSACASA-N	321.352	1.819	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H](C)c2c(C)noc2C)n1	794079897	HELCUEBZDWIVBF-SECBINFHSA-N	302.334	1.560	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccccc1OCc1ccccc1	1318903224	SNGSCRIWWHLLOX-UHFFFAOYSA-N	312.325	1.889	50	20	DDGD	
Cc1cc(NNC(=O)c2cnc(C3OCCO3)s2)ncn1	1329045054	IYEZZHDRSJINNW-UHFFFAOYSA-N	307.335	1.044	50	20	DDGD	
Cc1ccc(NCC(=O)NN=CC(C)(C)S(C)(=O)=O)cc1	1324433292	MECFKRCZNLKPCX-UHFFFAOYSA-N	311.407	1.332	50	20	DDGD	
COCC(=NNC(=O)c1n[nH]c2c1CCCC2)C1CCOCC1	1325944160	RATWAOKDWJKAPL-UHFFFAOYSA-N	320.393	1.447	50	20	DDGD	
CCN1CCC[C@H](CNC(=O)NNC(=O)c2cccc(C)n2)C1	1324976705	RVMKLFAWYXMMND-CYBMUJFWSA-N	319.409	1.066	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc2c(cc1Cl)NC(=O)CO2	1337228106	LCXILIXRHOSTIC-UHFFFAOYSA-N	313.697	1.014	50	20	DDGD	
Cc1ccccc1-n1cc(C=NNC(=O)C[n+]2ccccc2)nn1	1346847980	VPFZDLOFSXQFGT-UHFFFAOYSA-O	321.364	1.014	50	20	DDGD	
C[C@H](O)CN1CCN(C(=O)C2CCC(Cl)CC2)[C@@H](C)C1	1346592781	YGBMTKOBTMRQQT-FEPKRQSRSA-N	302.846	1.698	50	20	DDGD	
Cn1nc(C(=O)O)cc1C(=O)NNc1c(F)cc(F)cc1F	1605538584	APZUOSWNQOZIID-UHFFFAOYSA-N	314.223	1.293	50	20	DDGD	
O=C(Oc1ccc([N+](=O)[O-])c(C(=O)O)c1)c1csc(O)n1	1602621453	MLJJXYASTVSVNB-UHFFFAOYSA-N	310.243	1.674	50	20	DDGD	
Cc1oc(C(=O)O)cc1C(=O)NNC(=O)c1ccccc1O	1608033396	DGIDRNPMAJDZDF-UHFFFAOYSA-N	304.258	1.067	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1c[nH]c2ccc(C(=O)O)cc12	1601553002	QOVVEWQDBPOYFT-UHFFFAOYSA-N	323.312	1.839	50	20	DDGD	
Cn1cc(C=NNC(=O)C(=O)O)c(-c2cc3ccccc3o2)n1	1608107769	VROFURUSYXWJEJ-UHFFFAOYSA-N	312.285	1.368	50	20	DDGD	
O=C(NC[C@@H]1CCCCO1)NNc1ccc(C(=O)O)c(F)c1	1601482526	MYGANEMMRQVPFD-JTQLQIEISA-N	311.313	1.719	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2ccc3oc(O)nc3c2)c1	1602450046	GJSNQZWMQPBXOT-UHFFFAOYSA-N	313.269	1.989	50	20	DDGD	
COC[C@@H](C)OC(=O)/C(C#N)=C/c1cccc(-c2nn[nH]n2)c1	1609317881	RKCGVLJLTDIQGQ-SRMXYGTFSA-N	313.317	1.352	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C1(C(=O)O)CCC1)c1ccccc1	1603488987	SPCBKAYZGJSVDB-LBPRGKRZSA-N	304.346	1.583	50	20	DDGD	
Cc1ccc(NNC(=O)c2ccnc(N(C)C)c2)cc1C(=O)O	1607809062	BXAQFORJORIKGH-UHFFFAOYSA-N	314.345	1.911	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)Nc1cccc(C(=O)O)c1	1600760369	OXNMQELGEZTPCM-UHFFFAOYSA-N	320.330	1.616	50	20	DDGD	
O=C(O)COc1cccc(NS(=O)(=O)CCCCCl)c1	1610788799	SDMRWHAMDUFING-UHFFFAOYSA-N	321.782	1.911	50	20	DDGD	
CC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cn[nH]c1)C2	1800071444	KNHCUHJLIZFQHC-RNJOBUHISA-N	324.812	1.679	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)N[C@H]1CC[C@H](O)CC1	1610700116	LIVQILGWZXXCPZ-KYZUINATSA-N	311.313	1.454	50	20	DDGD	
Cn1c(NNC(=O)[C@H]2CCC[C@H](C(=O)O)C2)nc2ccccc21	1610598245	GBKBUBKLIHMHIX-QWRGUYRKSA-N	316.361	1.907	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@@H]2C=NNC(=O)c2cccnn2)cn1	1552928179	YUZCQZONBRJZOE-BXUZGUMPSA-N	314.349	1.186	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCCNC1	1580732814	KCELANZISJXEDO-MXWKQRLJSA-N	321.343	1.502	50	20	DDGD	
NC[C@@H](O)CC(=O)NNc1ccc(Br)cc1Cl	1580231664	BUJVYKQWLDNZKD-ZETCQYMHSA-N	322.590	1.255	50	20	DDGD	
Nc1cc(C(=O)NNC(=O)c2cccc(OC(F)F)c2)ccn1	1580434179	KQPAFZUNACAWQZ-UHFFFAOYSA-N	322.271	1.340	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCNC1)c1conc1C1CCCC1	1580732463	DFHGKGOWOREEST-LLVKDONJSA-N	306.366	1.093	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H](C)OC)C2	1845167844	WZNXBVFURYONRT-QWRGUYRKSA-N	302.802	1.242	50	20	DDGD	
CC[C@@H](O)C(=O)N1CC2(CCCN2C(=O)C(C)(C)CCl)C1	1841225136	SNPUHWVBNUTQCK-LLVKDONJSA-N	316.829	1.226	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN1)c1cc2sccc2nc1Cl	1580732730	HXZWPSLOUKGKQL-MRVPVSSYSA-N	310.766	1.073	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)Nc1ccccc1C(=O)O	1594420404	JDBGHWRLQIKIGL-UHFFFAOYSA-N	314.301	1.555	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=Cc1cc(C(=O)O)no1	1597614787	ICIAJFGYPJRYOQ-UHFFFAOYSA-N	317.301	1.464	50	20	DDGD	
COC[C@@]1(C(=O)NNc2cccc(C(=O)O)c2F)CCOC1	1599185788	DJSGQVSVMQFZLO-AWEZNQCLSA-N	312.297	1.020	50	20	DDGD	
Cc1ccccc1[C@@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1592249249	LSJUKDPZCDOFDH-LLVKDONJSA-N	323.360	1.817	50	20	DDGD	
CC1(C)CCCC[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1590094059	CKYCBFFABBIVLI-NSHDSACASA-N	315.381	1.921	50	20	DDGD	
COCCN(CC(C)C)NC(=O)c1cccc(CC(=O)O)c1	1599234771	AZOZJEVQXLOHKV-UHFFFAOYSA-N	308.378	1.563	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1594641865	CKUFCURKSHPFRV-PSASIEDQSA-N	313.379	1.005	50	20	DDGD	
Cc1cc(C(=O)NNc2ccccn2)cc(C)c1-c1nn[nH]n1	1591930394	STUZQVJRPZTUEC-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
O=C(NCC(Cl)Cl)Nc1cc(F)cc(-c2nn[nH]n2)c1	1593008678	RVRMVVRCOTXBPB-UHFFFAOYSA-N	319.127	1.931	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)NCCC(=O)O	1594273499	QOIABRCYIPZONA-UHFFFAOYSA-N	316.155	1.858	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2ccccc2C(=O)O)CCCC1	1596542595	LFOGMNDBZMZOTG-UHFFFAOYSA-N	320.345	1.951	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@H]1CCCC[C@H]1C(=O)O)C1CC1	1593190614	SHIHNTUDRWLWJZ-DVVUODLYSA-N	313.423	1.171	50	20	DDGD	
CCO[C@H]1COCC[C@@H]1CC(=O)NNc1ccccc1C(=O)O	1596855914	XMVPKWDEKMAOPJ-RISCZKNCSA-N	322.361	1.660	50	20	DDGD	
CC(=NNC(=O)c1ccc(O)nc1)c1cc(C(=O)O)ccc1C	1776094483	VSBSTPUTKXSRMP-UHFFFAOYSA-N	313.313	1.948	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2cccn3ccnc23)cc1	1776101497	KSCDQKCEEPJQBZ-UHFFFAOYSA-N	308.297	1.796	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)CN(C)C)c1	158480685	STABYJJCJKNPBK-UHFFFAOYSA-N	300.746	1.063	50	20	DDGD	
Cc1nc(Cl)ccc1C(=O)NNC(=O)Cc1ccncc1	160236143	JAOQMZDKTUEKIT-UHFFFAOYSA-N	304.737	1.442	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCC[C@H]3OCC[C@H]23)o1	151621377	UFPBFYXZFHYOPC-GRYCIOLGSA-N	307.350	1.490	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1ccc(C#N)cc1)C1CCCC1	155113559	QHISMKPSIKYQHP-OAHLLOKOSA-N	300.362	1.696	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)C2CCC(C)(C)CC2)n1	156135890	VBOXTUWWOORJOM-UHFFFAOYSA-N	306.410	1.864	50	20	DDGD	
CN(NC(=O)CNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C	496802551	JITGOLJIODNHTJ-UHFFFAOYSA-N	303.359	1.409	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)COc2cccc(C)c2)cc1	584338	MQOBLYOPEWTYBJ-UHFFFAOYSA-N	314.341	1.844	50	20	DDGD	
C[C@@H]1CC[C@@H](CCC(=O)NNC(=O)Cc2ccccc2F)O1	173197834	UCAGOIXXBDQNDK-YPMHNXCESA-N	308.353	1.863	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCc1ccoc1	56715061	PECPKQQMVKIBEE-UHFFFAOYSA-N	303.318	1.361	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cc(C)c(F)cc2F)n1	175899458	AZPOEGWKJIPJQH-UHFFFAOYSA-N	322.315	1.548	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2scnc2C)cc1	58996204	LSQXAHPGGLTNAG-UHFFFAOYSA-N	305.359	1.600	50	20	DDGD	
COC[C@H](C)CNC(=O)NNC(=O)c1cccc2ncccc12	171604854	PSFBBELQNLARDB-LLVKDONJSA-N	316.361	1.461	50	20	DDGD	
C#CCCCCC(=O)NNC(=O)CNc1ccccc1OC	179750002	WFGBYZKSEATMJB-UHFFFAOYSA-N	303.362	1.448	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ncn(-c3ccccc3)n2)cc1	119116919	QLJLDQLRMXFIPL-UHFFFAOYSA-N	304.313	1.896	50	20	DDGD	
COc1ccnc(C(=O)NNC(=O)c2c[nH]c3ccccc23)c1	116165083	JSVJXSAQLDOXHZ-UHFFFAOYSA-N	310.313	1.646	50	20	DDGD	
CON(C)C(=O)[C@@H](C)NC(=O)NNc1ccccc1Cl	1262005320	YLXMZQBKWGDGAQ-MRVPVSSYSA-N	300.746	1.374	50	20	DDGD	
Cc1nc2c(cc1C(=O)NNC(=O)c1cccnc1)c(C)nn2C	29055451	OHLXIEVVDKUCHE-UHFFFAOYSA-N	324.344	1.055	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2F)o1	175832439	WIWXNURTRQTJBU-UHFFFAOYSA-N	307.237	1.710	50	20	DDGD	
O=C(NNc1cnccn1)[C@H]1CC(=O)N(c2ccccc2F)C1	114877949	NXFVQZTVHSHTQB-JTQLQIEISA-N	315.308	1.112	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	27339948	FWHAEQNWHVZTLK-UHFFFAOYSA-N	324.293	1.700	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCc1nccn1C)c1ccccc1	1348831814	VFPGJSANWCROKX-AWEZNQCLSA-N	314.389	1.694	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC2CCN(C3CC3)CC2)n1	175225400	CPIBVZKCGOGEBQ-UHFFFAOYSA-N	320.397	1.047	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC=CCC1)c1cnn(-c2ccccc2)c1	112824804	BWBCWMLOZDRVIN-CYBMUJFWSA-N	310.357	1.990	50	20	DDGD	
CN1CC[C@@H](C(=O)NNC(=O)c2cc3ccccc3o2)CC1=O	177748260	HBCLTVANJORGCO-LLVKDONJSA-N	315.329	1.062	50	20	DDGD	
C[C@H](Cc1cnc[nH]1)C(=O)NNc1cncc(Br)c1	1346462942	KSQLLNGEAFVCRY-MRVPVSSYSA-N	324.182	1.889	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc(N(C)C)c(C)c2)[nH]n1	183683736	SBZTXAQDUKRQCY-UHFFFAOYSA-N	316.365	1.559	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(F)cc(Cl)c1	124750847	OCEQTJDWDVQFDE-SSDOTTSWSA-N	315.732	1.611	50	20	DDGD	
NC[C@H]1CCCN1S(=O)(=O)c1ccc(CCCCl)cc1	124716342	AJGMBHCMJBMQRL-CYBMUJFWSA-N	316.854	1.970	50	20	DDGD	
C[C@H](NC(=O)CC(C)(C)C)C(=O)NNC(=O)NCc1ccco1	188622241	VJOUHUCOEWPMPZ-JTQLQIEISA-N	324.381	1.051	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@H]1[C@H]2CCO[C@@H]2C12CCC2	123555292	DZZPVWPOPFAXCD-ZHAHWJHGSA-N	323.784	1.714	50	20	DDGD	
Cc1cccc(C)c1OCCC(=O)NNC(=O)c1ccc[nH]1	122586243	AHMSAISUAIXTHH-UHFFFAOYSA-N	301.346	1.862	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cc(C)ccc2F)nc1	124305914	CHSJLKZXWLXUES-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
CC(=O)N[C@@H](CC(C)C)C(=O)NNc1ccccc1[N+](=O)[O-]	180625389	PSHYBDJIZAAIPI-LBPRGKRZSA-N	308.338	1.589	50	20	DDGD	
CC1CCN([C@@H](CNC(=O)NNc2cccnn2)C(C)C)CC1	77344578	YVOIUWLQVLYNJV-AWEZNQCLSA-N	320.441	1.859	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2cc(C)on2)c1	70695272	YWRXAKDTAOTNGU-UHFFFAOYSA-N	303.318	1.440	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccncc1)NC(=O)C1CCCCC1	180463244	FLBVNNDOVMWEFG-LBPRGKRZSA-N	304.394	2.000	50	20	DDGD	
CCCc1noc(CCCC(=O)NNC(=O)NCC2CC2)n1	139295568	IPZMXZFSHIIREC-UHFFFAOYSA-N	309.370	1.085	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(N3CCCC3)nn2)o1	84373623	YQJFHQPYPPBPAM-UHFFFAOYSA-N	315.333	1.053	50	20	DDGD	
NC(=O)CSCC(=O)NNc1ncc(Cl)cc1Cl	132849510	TYPOJWNXQGURTR-UHFFFAOYSA-N	309.178	1.050	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)[C@H]1COc2ccccc2C1	195221448	LUGOSASRWHOSME-CQSZACIVSA-N	302.374	1.965	50	20	DDGD	
CC(C)(C)n1nccc1NC(=O)NNC(=O)c1ccccc1O	190481765	YJWXOXQORBFXEK-UHFFFAOYSA-N	317.349	1.810	50	20	DDGD	
COC(=O)NNC(=O)c1cc(C2CC2)nc2c1c(C)nn2C	192525466	GVOUPJGMOPAPCW-UHFFFAOYSA-N	303.322	1.155	50	20	DDGD	
C[C@@H](CBr)CN(CCC#N)CCN1CCOCC1	133853912	BNMMNPLAXSHOCR-ZDUSSCGKSA-N	318.259	1.565	50	20	DDGD	
CNC(=O)c1cc(NC(=O)NNC(=O)OC)ccc1Cl	47813620	NPWXRUVQQVMSJM-UHFFFAOYSA-N	300.702	1.092	50	20	DDGD	
COc1ccccc1CNC(=O)NNc1nc2ccccn2n1	190326217	WBMFYUOTXIYBDG-UHFFFAOYSA-N	312.333	1.564	50	20	DDGD	
O=C(CSCc1ccccn1)NNC(=O)NC1CCCCC1	194385755	WDWUBGQYWKVAQT-UHFFFAOYSA-N	322.434	1.978	50	20	DDGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cn(C)c(=O)n(C)c2=O)c1	193692097	WBXSXLAKQFNUAQ-RIYZIHGNSA-N	323.352	1.491	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(Br)nc1	92930025	BDOWRTJWHMDZTA-UHFFFAOYSA-N	303.116	1.627	50	20	DDGD	
O=C(NNc1ccccc1F)Nc1cccnc1-n1cncn1	92602226	VOEHAPMJKNCIIM-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
NNC(=O)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1	255027258	HUECJBBRZPUWON-XURPKSDJSA-N	307.781	1.724	50	20	DDGD	
COCCCOc1ccc(C(=O)NNC(=O)CC(C)(C)C)cn1	264049210	SJBFRQDORGZZIS-UHFFFAOYSA-N	323.393	1.694	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNC(=O)COc1cc(C)cc(C)c1	265878437	ZXKVPRMHPJJYIM-ZDUSSCGKSA-N	323.393	1.438	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cn2nc(C)cc2C)c(C)c1	266003877	FNRCRJZQOJOQJJ-UHFFFAOYSA-N	316.361	1.278	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNC(=O)COc1cc(C)ccc1C	265734178	CAJMFEKIJHGIFE-ZDUSSCGKSA-N	323.393	1.438	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)n1	269998928	XPQMLYRDOVJXNH-MVWJERBFSA-N	319.365	1.069	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cccc(Cl)c1)[C@@H]1CCOC1	266546058	KWSMIKUVSGRXDX-MWLCHTKSSA-N	311.769	1.709	50	20	DDGD	
CNC(=O)NNC(=O)C1(C)CCN(Cc2ccccc2)CC1	273284711	XBRYYRGIHYNJPY-UHFFFAOYSA-N	304.394	1.249	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cc2c(C)nn(C)c2C)c1	272832292	OTTOSABODVFANB-UHFFFAOYSA-N	316.361	1.509	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2	276714110	QTVHQIHQOWFFQH-YNEHKIRRSA-N	302.378	1.974	50	20	DDGD	
COC(=O)CCCC(=O)NNC(=O)CNc1ccc(C)cc1C	274134808	WGOMQBCMUUSMFY-UHFFFAOYSA-N	321.377	1.206	50	20	DDGD	
COc1cccc2c1OC[C@@H](NC(=O)NNc1cccnn1)C2	369512989	LNKLIVQBYQIHDS-NSHDSACASA-N	315.333	1.115	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NOC[C@H]1CCOC1)c1ccccc1	276201946	BRQGEMNJBZMTDH-LBPRGKRZSA-N	321.377	1.263	50	20	DDGD	
CCC(C)(C)N[C@H](C)C(=O)NNc1nc(O)c2ccccc2n1	274990922	MFBZZYSUBBSLAG-SNVBAGLBSA-N	317.393	1.945	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccnc(O[C@H]2CCOC2)c1	273463266	DMOCUSXVDIDUKO-LBPRGKRZSA-N	307.350	1.056	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCOCC(F)F	276270924	NRVOJFRKFIVJNF-UHFFFAOYSA-N	301.293	1.221	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	273491558	PHJXBLCAEVHGTK-ZDUSSCGKSA-N	322.361	1.037	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnn(C)c1-n1c(C)ccc1C	272925528	FQKONJVACHDGLX-UHFFFAOYSA-N	318.381	1.134	50	20	DDGD	
COC[C@@H]1CN(C(=O)NNC(=O)c2ccccc2C)C[C@H](C)O1	275867820	JOYVYHRCLMPWFL-STQMWFEESA-N	321.377	1.085	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@@H]1CCCN1Cc1ccccn1	376208196	QYKFYJVJHIEFJH-ZDUSSCGKSA-N	315.352	1.723	50	20	DDGD	
CC(C)N1CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)CC1=O	280171571	IOVNXBZFACTPGJ-ZROIWOOFSA-N	313.357	1.378	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCC2=CCCOC2)cc1	287852691	CKZNUAIXQQWPTC-UHFFFAOYSA-N	303.362	1.540	50	20	DDGD	
CC(C)C(=O)N1CCC(C(=O)NNc2cccc(F)n2)CC1	286594148	OLVBHYJHHROSNY-UHFFFAOYSA-N	308.357	1.558	50	20	DDGD	
CO[C@@H]1CCC[C@H](CC(=O)NNc2nc3ccccn3n2)C1	281891236	PIEBGLDPIAREHK-NWDGAFQWSA-N	303.366	1.768	50	20	DDGD	
CC(C)c1occc1C(=O)NNC(=O)CNC(=O)c1ccco1	280052834	NPQNIYOTFUTKEV-UHFFFAOYSA-N	319.317	1.187	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)C(C)(C)c2ccccc2)O1	281794839	FBAWYPXWQNCTJF-YRGRVCCFSA-N	304.390	1.925	50	20	DDGD	
CCOC(=O)N1CCC[C@@H](C(=O)NNc2ncccc2F)C1	286046637	RDWPBLTZFUOUOM-SNVBAGLBSA-N	310.329	1.532	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2nccnc2C2CCC2)c1[N+](=O)[O-]	286895223	GMWYAJINEUKEER-UHFFFAOYSA-N	317.309	1.441	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NNc1cccc(S(C)(=O)=O)c1	280115375	BBAHBJUUEQQIHY-QWRGUYRKSA-N	324.402	1.539	50	20	DDGD	
COCCN(C)NC(=O)c1ncoc1-c1ccc(OC)cc1	297216582	XEVZFTAPFRLFGV-UHFFFAOYSA-N	305.334	1.573	50	20	DDGD	
CCCCN(C)C[C@@H](C)NC(=O)NNc1ccc(OC)cn1	292025625	PPIHQPQJDDZWTP-GFCCVEGCSA-N	309.414	1.837	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CCC(C)=O)cc1	298206257	MYCOBCNABPJQGC-LBPRGKRZSA-N	322.361	1.369	50	20	DDGD	
CC1(O)CCN(C(=O)NNC(=O)C(C)(C)c2ccccc2)CC1	296509054	CELYRJFEWFCUFU-UHFFFAOYSA-N	319.405	1.552	50	20	DDGD	
CCn1c(NNC(=O)CCOC(C)C)nc2ccccc2c1=O	298299162	OICMKJZHQCODCO-UHFFFAOYSA-N	318.377	1.675	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2csnc2C)cc1	802058793	NACXKQHMIBENJW-UHFFFAOYSA-N	306.347	1.927	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)NCc2ccc(F)c(F)c2)O1	297282372	QLNXLTCDMXUJAM-UFBFGSQYSA-N	313.304	1.363	50	20	DDGD	
Cc1nc2ccc(NC(=O)NNc3ncccc3F)cn2n1	809897666	IWYRXWUSJQRXJC-UHFFFAOYSA-N	301.285	1.720	50	20	DDGD	
CC(C)c1ccccc1NC(=O)NNC(=O)N1CCN(C)CC1	808470731	HBZGSNBNQVHKGZ-UHFFFAOYSA-N	319.409	1.804	50	20	DDGD	
CCCc1nc(C)c(CNC(=O)NNc2ccc(C)nn2)o1	292302898	VWHKOGGDRBWZOR-UHFFFAOYSA-N	304.354	1.860	50	20	DDGD	
Cc1nnsc1C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802103320	AYIPNNDWTCSCGV-UHFFFAOYSA-N	321.318	1.042	50	20	DDGD	
Cc1c(C(=O)NNC(=O)N=c2cc[nH]cc2)cnc2ccccc12	802032539	SSDYZJAVFYXXAD-UHFFFAOYSA-N	321.340	1.827	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1ccc2c(c1)COC2	804957761	UISRQTCFDOLMLM-UHFFFAOYSA-N	322.328	1.449	50	20	DDGD	
N#CSCCCNC(=O)Cn1cnc2sccc2c1=O	808026370	XUDVEBXZJAHPOZ-UHFFFAOYSA-N	308.388	1.179	50	20	DDGD	
Cc1nccn1C[C@H](C)CNC(=O)NNc1ncc(F)cc1F	297253371	OOWCVQSUALNMSP-SECBINFHSA-N	324.335	1.827	50	20	DDGD	
C[S@](=O)Cc1cccc(C(=O)NNc2ncccc2F)c1	804220346	VZVUPLMQKWJAAS-NRFANRHFSA-N	307.350	1.856	50	20	DDGD	
O=C(CSC1CC1)NNC(=O)c1ccc2ccccc2n1	294201992	HOJLCLYSLHOCTN-UHFFFAOYSA-N	301.371	1.891	50	20	DDGD	
C#CCO[C@@H](C)C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	294453012	TUDOTEKKCXOSOZ-KBPBESRZSA-N	318.373	1.256	50	20	DDGD	
C[C@H]1CCCC[C@H]1OCC(=O)NNC(=O)N=c1cc[nH]cc1	802028105	JYLBGTBFVYNLOJ-WCQYABFASA-N	306.366	1.252	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H]1CC(=O)c2ccccc21	802027139	SRCRSKATFJHDPJ-CYBMUJFWSA-N	310.313	1.026	50	20	DDGD	
CCCNC(=O)NNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-]	814632504	OGXGENBVDFFLQU-UHFFFAOYSA-N	308.338	1.613	50	20	DDGD	
C[C@H](CNC(=O)NNc1ncncc1F)Oc1ccccc1	814300124	GODDXEFFOSLQRX-SNVBAGLBSA-N	305.313	1.709	50	20	DDGD	
O=C(NNC(=O)c1cc(F)c[nH]1)c1cnn(-c2ccccc2)c1	815599915	FWPWAGBWQOQJJE-UHFFFAOYSA-N	313.292	1.414	50	20	DDGD	
CCCN(CC)C[C@H](C)NC(=O)NNC(=O)CC(C)(C)C	811976987	AKPMRJQSFQQWNO-LBPRGKRZSA-N	300.447	1.873	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	816771564	RKYCHVLSUYSFLD-UHFFFAOYSA-N	317.309	1.055	50	20	DDGD	
Cc1cc(C#N)cnc1C(=O)NNc1nc(-c2ccncc2)no1	815235649	DHNNFYHCSSHWRO-UHFFFAOYSA-N	321.300	1.464	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1ccn2ccnc2c1	810231853	PKTUJFMEQJKXIT-UHFFFAOYSA-N	310.317	1.125	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2ncccn2)cc1C	812721186	LYZAUOGVBNNUBF-UHFFFAOYSA-N	300.318	1.719	50	20	DDGD	
CCNC(=O)NNC(=O)C1(Cc2cccc(F)c2)CCOCC1	814627287	XPTZQBAFJUCVLG-UHFFFAOYSA-N	323.368	1.515	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)c2ccccn2)cc1	812729367	KIHHZUDKCTTWQB-UHFFFAOYSA-N	320.374	1.089	50	20	DDGD	
CC[C@H]1CCC1=NNC(=O)Nc1ccc(S(N)(=O)=O)cc1	814964543	XUZWCMNIAROMRI-VIFPVBQESA-N	310.379	1.632	50	20	DDGD	
CCSC1(CNC(=O)NNC(=O)c2ccccc2O)CC1	823022710	NQKDPKLZNWLIHK-UHFFFAOYSA-N	309.391	1.622	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCCOC[C@@H]1CCCO1	491164257	ZVQXAVVEEROOSG-DNXIFWLFSA-N	316.357	1.611	50	20	DDGD	
C=CCCSCCNC(=O)NNc1nc2ccccn2n1	820771764	TVIUYHUWRWRZFD-UHFFFAOYSA-N	306.395	1.665	50	20	DDGD	
CC[C@@H](Oc1ccccc1Cl)C(=O)NN(CC)CCO	823864932	FIQPWIOZRQSLKQ-GFCCVEGCSA-N	300.786	1.843	50	20	DDGD	
CCN(C(C)=O)c1ccc(NC(=O)NNC(=O)C2CC2)cn1	824580401	DZWNHGKARPOKIM-UHFFFAOYSA-N	305.338	1.017	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](CCO)COC)cc1	490813154	OKAOQZLDYHKXPB-YVGNARHYSA-N	318.373	1.506	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)n1)c1cnn(C2CCC2)c1	825346974	JBSLAQVASNVWTL-UHFFFAOYSA-N	319.752	1.731	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)NNC(=O)CSc1ccc(C)cc1	726767446	WDUYFQQBPGBARV-UHFFFAOYSA-N	323.418	1.149	50	20	DDGD	
COC(=O)NNC(=O)c1nc(Br)sc1C1CC1	496048466	YQKKRRASQUZAKF-UHFFFAOYSA-N	320.168	1.784	50	20	DDGD	
CC(C)OC(=O)[C@@H]1CCCN1C(=O)/C(C#N)=C/c1cnn(C)c1	491177727	YLHQYBQUBRQNKT-GUNGLEHYSA-N	316.361	1.270	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2cc(C)ccc2F)n1	826584983	KJBHMJPVICSEDE-UHFFFAOYSA-N	304.325	1.927	50	20	DDGD	
CSCC[C@H](O)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	822201459	HGMVTNKNXAEMHS-ZDUSSCGKSA-N	324.446	1.859	50	20	DDGD	
Cc1cc(O[C@@H](C)C(=O)NN(C)[C@H](C)CO)ccc1Cl	823970057	BNUBTECOOSGBSY-MNOVXSKESA-N	300.786	1.760	50	20	DDGD	
CC[C@@H](C)n1ncc2c(C(=O)NN(C)[C@@H](C)CO)cc(C)nc21	823964503	AXTKFDLBFSJFBX-NEPJUHHUSA-N	319.409	1.668	50	20	DDGD	
COCCn1ccc(NC(=O)NNc2ccc(Cl)cn2)n1	820729586	BRJGMUZHTIGGHG-UHFFFAOYSA-N	310.745	1.727	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccc(-c2ccco2)cc1F	496154301	JKUNFWHGYLWNNG-UHFFFAOYSA-N	321.264	1.411	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)[C@@H]1CC1(F)F	820176502	KQQNOWZEHJXQAV-QMMMGPOBSA-N	305.375	1.441	50	20	DDGD	
CN(NC(=O)[C@@]1(Cl)C[C@H]2CC[C@H]1O2)C(=O)OC(C)(C)C	909937178	CGYWGDOQVOFCFE-JRKPZEMJSA-N	304.774	1.813	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N2CCOCC2)c(C(C)C)n1	822854903	XEEQPTJMRWMAJO-UHFFFAOYSA-N	306.366	1.200	50	20	DDGD	
C[C@@]1(C(=O)NCCCNC(=O)C2CCC2)C[C@H]1Br	906907850	SBEIQGLEFYOTAI-ZWNOBZJWSA-N	317.227	1.583	50	20	DDGD	
CC(C)C(=O)NNC(=O)Cc1ccccc1O[C@H]1CCOC1	823716811	RMSMTGMUBVNPIO-ZDUSSCGKSA-N	306.362	1.200	50	20	DDGD	
CC(C)CN1C[C@H](C(=O)NNc2c(F)cccc2F)CC1=O	735700103	DTRJNYWOFOCOMS-SNVBAGLBSA-N	311.332	1.912	50	20	DDGD	
CCn1nc(C2CC2)cc1-c1nc(-c2cccc(B(O)O)c2)no1	903749080	UFCMOXIHSHRQGP-UHFFFAOYSA-N	324.149	1.177	50	20	DDGD	
CC(C)C(=O)NNC(=O)CSCC(=O)OCc1ccccc1	829530794	FACRSHLAJUEVKN-UHFFFAOYSA-N	324.402	1.266	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)C(C)(C)c2ccccc2)CCO1	731220938	BDGKQUBKURAZOP-UHFFFAOYSA-N	319.405	1.816	50	20	DDGD	
O=C(CCc1ccccc1O)NN=Cc1cnc2n1CCOC2	905443910	DUGIWVBWXJZKQG-UHFFFAOYSA-N	314.345	1.202	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C	493159267	SZOQVUPEBHGETJ-SECBINFHSA-N	303.359	1.267	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)NCC(C)(F)F)c1	836481650	NNCZKKSLQPXUKZ-UHFFFAOYSA-N	317.292	1.303	50	20	DDGD	
CCN(CCc1cccs1)C(=O)c1ccc(B(O)O)cc1	584930937	GSQNFXXACRZPNB-UHFFFAOYSA-N	303.192	1.133	50	20	DDGD	
CCC[C@@H](C)C(=O)NCCNC(=O)NNC(=O)OC(C)(C)C	497023809	XFTZWSRQVIBMTB-SNVBAGLBSA-N	316.402	1.278	50	20	DDGD	
CCn1cc(C=NNC(=O)[C@H](C)CN2CCCCCC2)nn1	901155324	LKJZCFFQQGWBFP-CYBMUJFWSA-N	306.414	1.260	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC[C@H]1CCc2ccccc21	838637144	JUKOYGKQMZYUNY-CYBMUJFWSA-N	305.378	1.473	50	20	DDGD	
O=C(COCc1nc2ccccc2s1)NNc1cccnn1	736702059	WBLVGKSQXHBVCH-UHFFFAOYSA-N	315.358	1.746	50	20	DDGD	
O=C(NCC1(N2CCCC2)CCOCC1)NNc1ccccc1	734275104	HQCRTQZOZNGHHP-UHFFFAOYSA-N	318.421	1.958	50	20	DDGD	
COc1c(O)ccc(C=NNC(=O)CC(F)(F)F)c1[N+](=O)[O-]	834942079	LWJKTMMUIGAREV-UHFFFAOYSA-N	321.211	1.712	50	20	DDGD	
O=C(NNc1ccc(Br)nc1)c1cnns1	732838051	GYQUPIJZRGYTEX-UHFFFAOYSA-N	300.141	1.453	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H]2CCC[C@@H](C(=O)O)C2)n1	833000831	PSNDQIKRUQYZJO-DTWKUNHWSA-N	312.757	1.773	50	20	DDGD	
C[C@@]1(C(=O)NCCNc2ncccc2C#N)C[C@@H]1Br	906405321	ZZPNIPPBDHLOBN-GXFFZTMASA-N	323.194	1.655	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1	839410342	TUSVFNMSPBQLRB-SSDOTTSWSA-N	306.796	1.286	50	20	DDGD	
CC(C)(C)OC(=O)N1[C@H](C(=O)NNc2ccncn2)C[C@H]2C[C@H]21	834022722	XMMJOQVXFIQEBP-MXWKQRLJSA-N	319.365	1.318	50	20	DDGD	
CC[C@@H](C)n1ncc(NC(=O)NNC(=O)[C@H]2CCCCO2)c1C	836557314	PDQVGACPKMFXCJ-ZWNOBZJWSA-N	323.397	1.884	50	20	DDGD	
Cc1cc(Br)c(C(=O)NNC(=O)NC2CC2)s1	837368040	WXFPLOVBWLDGCI-UHFFFAOYSA-N	318.196	1.925	50	20	DDGD	
Cc1nc(C=NNC(=O)[C@@H](C)CN2CCOCC2)sc1C	901154665	FTWLRVDLNYVWBS-JTQLQIEISA-N	310.423	1.178	50	20	DDGD	
Cc1nc(CCC(=O)NNC(=O)c2ccccc2F)cs1	733085991	ZERHQPWJWVKWJN-UHFFFAOYSA-N	307.350	1.984	50	20	DDGD	
CC(C)C[C@@]1(C)CCCN1C(=O)c1cc(B(O)O)ccc1F	584995724	QOWRNFCPYDTELW-MRXNPFEDSA-N	307.174	1.546	50	20	DDGD	
O=C(NN=C1C[C@@]2(CCOC2)Oc2ccccc21)c1cc[nH]n1	901262604	IHUIBCQMCOIRCP-MRXNPFEDSA-N	312.329	1.485	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	831241898	XLMRRGRZLMIHDX-CABZTGNLSA-N	321.333	1.051	50	20	DDGD	
CC[C@@H](C)[C@H](NC(=O)c1cccc(B(O)O)c1)C(F)(F)F	584982481	KYFRAKWVCGXURB-KCJUWKMLSA-N	303.089	1.073	50	20	DDGD	
CCc1nnsc1C(=O)NNc1cnnc2ccccc12	733811562	LYCAMJZKKKYGLL-UHFFFAOYSA-N	300.347	1.801	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)COc1ccccc1C(C)C	732083540	XAWOMNXJHBQRRV-UHFFFAOYSA-N	316.361	1.682	50	20	DDGD	
CCC(=NNC(=O)Cc1cc(O)nc(S)n1)c1ccccc1	730585476	FNMOYZYTYAWVRF-UHFFFAOYSA-N	316.386	1.944	50	20	DDGD	
O=C(NNc1cccc2c1CCCC2)C(=O)Nc1cnsn1	839523675	BMNQZVGPEIJTLG-UHFFFAOYSA-N	317.374	1.499	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1	838495499	MPHOUIUFZQUNMK-DGAVXFQQSA-N	309.410	1.855	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@]2(C)CCCCO2)c1	837310410	BOLHWYKUXRLUMM-INIZCTEOSA-N	306.362	1.480	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2C)C12CCC2	838763438	CQCZKKVACBBMOC-KBPBESRZSA-N	317.389	1.897	50	20	DDGD	
CC/C=C/CNC(=O)NNC(=O)c1cc(Br)c[nH]1	836193032	IXRHVSUTHMVLHX-ONEGZZNKSA-N	315.171	1.687	50	20	DDGD	
O=C(COc1ccc(F)cc1F)NNC(=O)CC(F)(F)F	918366444	ORGKCVSAYJQSGS-UHFFFAOYSA-N	312.194	1.443	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NC[C@@]2(C)CCC(=O)N2)c(C)c1	838735795	WHDSRGBZJQQLBP-MRXNPFEDSA-N	304.394	1.907	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Cc2cnn(-c3ccccc3)n2)n1	916160211	REBGJTPWSGUAHU-UHFFFAOYSA-N	323.360	1.360	50	20	DDGD	
C[C@@]1(C(=O)NCCC(=O)Nc2ncc[nH]2)C[C@H]1Br	910327706	PTEHATNUZBHHQA-RDDDGLTNSA-N	315.171	1.028	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cc(C)n(C2CC2)c1C	748257378	IDNHADKONAQDKC-CYBMUJFWSA-N	307.394	1.941	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cnc(N(C)C)c(Cl)c2)n1	847312827	ROWWOFXBMZUOHO-UHFFFAOYSA-N	320.784	1.965	50	20	DDGD	
CC(C)c1ccc(CNC(=O)NNC(=O)c2ncccn2)cc1	841580116	GKASIWNLBPLTOD-UHFFFAOYSA-N	313.361	1.744	50	20	DDGD	
CCCC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CC1(C)C	841615762	FPHNOLMHXSKXHG-MNOVXSKESA-N	300.424	1.740	50	20	DDGD	
Cc1cc2c(cc1C)O[C@H](C(=O)NNC(=O)[C@H]1CCO[C@H]1C)C2	843654815	SOKKEFBVRUEULE-WHOFXGATSA-N	318.373	1.179	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1	841605536	XGIBKWGEECKSKB-AAEUAGOBSA-N	307.306	1.362	50	20	DDGD	
O=C(Cn1nnc(-c2ccccc2)n1)NN=C[C@H]1CC=CCC1	915906921	IITOEXKEGHIKNL-ZDUSSCGKSA-N	310.361	1.798	50	20	DDGD	
Cc1cc(C=NNC(=O)CN2CCCC2=O)c(C)n1CC(C)C	916357918	RQEZYTXQOFWQKK-UHFFFAOYSA-N	318.421	1.833	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cccc2scnc12	840912054	ZMBNKDUUBBJCQH-QMMMGPOBSA-N	313.404	1.652	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)o1	746784276	BDJPWIGBYIQAMV-UHFFFAOYSA-N	307.693	1.107	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNc1ccc(Cl)nc1)C(=O)O	848590318	MWJVWZVABASZDN-SECBINFHSA-N	300.746	1.718	50	20	DDGD	
CCN(CC)CCSCC(=O)NNC(=O)c1ccc(C)cc1	746095707	XDNVTVDMSMPXQP-UHFFFAOYSA-N	323.462	1.831	50	20	DDGD	
C[C@H](CCN(C)C)NC(=O)NN=c1sc2ccccc2n1C	744865311	HALQTIDBLOAOGU-LLVKDONJSA-N	321.450	1.695	50	20	DDGD	
Cc1cccc2c1C(=NNC(=O)[C@H]1CCS(=O)(=O)C1)CC2	841615970	IEBXNKWSFGOMND-LBPRGKRZSA-N	306.387	1.196	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNc1cccc([N+](=O)[O-])c1)C(=O)O	848593091	XTWDDUYFPZBCPH-LLVKDONJSA-N	310.310	1.578	50	20	DDGD	
COCCn1cc(C=NNC(=O)COCc2ccccc2)cn1	743441704	MMOSTLYWIBJZLB-UHFFFAOYSA-N	316.361	1.196	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CN1CCCC1=O)c1ccc(Cl)cc1	913733455	JURQQPPYGNVKGC-JTQLQIEISA-N	323.780	1.213	50	20	DDGD	
CC(=NNC(=O)CCN1CCCCCC1)c1cn(C)nc1C	917540065	WIEFXQWLGFYTBV-UHFFFAOYSA-N	305.426	1.835	50	20	DDGD	
O=C(CCN1CCCCCC1)NN=C1CCCn2ccnc21	848401633	DJMDCXRETTXZOT-UHFFFAOYSA-N	303.410	1.763	50	20	DDGD	
NC(=O)c1cc(NC(=O)NNC(=O)CC(F)(F)F)ccc1F	918063578	JBHPNAWOTCZOSS-UHFFFAOYSA-N	322.218	1.030	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NC[C@H]1CCCNC1)c1ccccc1	841924317	XHTLGHZFEBZUPT-ZDUSSCGKSA-N	318.421	1.294	50	20	DDGD	
CCC(Cc1cccs1)=NNC(=O)Cc1cc(O)nc(O)n1	743445927	JTTREBCAYAYHRP-UHFFFAOYSA-N	320.374	1.617	50	20	DDGD	
CC(C)NCCCNC(=O)NNC(=O)CCCc1ccccc1	841933804	JSIROGNQEVGVQD-UHFFFAOYSA-N	320.437	1.728	50	20	DDGD	
Cc1cccn2cc(CCNC(=O)NNc3cccnn3)nc12	746775855	LKCHSNWSKFYMSD-UHFFFAOYSA-N	311.349	1.302	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)C(=O)OC(C)(C)C)c(O)c1	840851924	UIRCVNOCXJFGSI-JTQLQIEISA-N	322.361	1.439	50	20	DDGD	
C[C@H](CC(N)=O)C(=O)NNc1cc(F)ccc1Br	840530945	DAVKEBCNBVHGPT-ZCFIWIBFSA-N	318.146	1.543	50	20	DDGD	
COCCCNC(=O)NNC(=S)Nc1ccc(Cl)cc1	920833422	LILRPJFNEPUOQK-UHFFFAOYSA-N	316.814	1.877	50	20	DDGD	
COc1ccc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)o1	848850884	ATBAXXRGAOTWSM-SECBINFHSA-N	312.322	1.027	50	20	DDGD	
COc1ccc(C(=O)NN=C[C@H](OC)[C@@H]2CCOC2)c(OC)c1	841623880	OUIOYAFHHLEAKW-ABAIWWIYSA-N	322.361	1.471	50	20	DDGD	
CC(=O)Nc1ccc(NC(=O)NNC(=O)c2c[nH]nc2C)cc1	755495135	OAXFOZMWLCHTRT-UHFFFAOYSA-N	316.321	1.143	50	20	DDGD	
C[C@]1(C2CC2)NC(=O)N(C[C@@]2(C)C[C@H]2Br)C1=O	857227531	OZRVFCMTWGBRNH-GGZOMVNGSA-N	301.184	1.880	50	20	DDGD	
CC(C)C1(O)CN(C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	856959109	QXIQDMNKPKOHMX-GXSJLCMTSA-N	305.216	1.572	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)Cn2cccn2)c1	920430679	CQGKFJIMAIZYOU-UHFFFAOYSA-N	303.391	1.518	50	20	DDGD	
Cc1c(NNC(=O)c2cnc3nccnc3c2)cccc1[N+](=O)[O-]	759974331	PNHRYLPMGDNZOQ-UHFFFAOYSA-N	324.300	1.998	50	20	DDGD	
NC(=O)c1csc(C=NNC(=O)c2ccc(Cl)nc2)c1	755889486	FOWPBDMWQVNOMM-UHFFFAOYSA-N	308.750	1.659	50	20	DDGD	
O=C(NC[C@H]1CCCSC1)NNc1ncc(Cl)cn1	856904561	PGZGGUOJAPTKHA-MRVPVSSYSA-N	301.803	1.899	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H]1CCCc2ccc(OC)cc21	854928557	DVKITDBATRKTQQ-GFCCVEGCSA-N	307.419	1.582	50	20	DDGD	
Cn1c(=O)oc2cc(C=NNC(=O)NC3CCCC3)ccc21	754941773	KIKZHMOYUAWGFU-UHFFFAOYSA-N	302.334	1.707	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cnn2ccccc12	855091364	NEVMYUUYCKUINJ-UHFFFAOYSA-N	303.391	1.243	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1cnc([C@@H]2CCCO2)s1	755585984	DDXBZOQHWKYMMX-NSHDSACASA-N	322.390	1.067	50	20	DDGD	
Cn1nc(C2CC2)cc1CNS(=O)(=O)CC(C)(C)CCl	921900837	WKKRCLTVBYVQPD-UHFFFAOYSA-N	319.858	1.982	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@@]1(O)CCc2ccccc2C1	855000668	MLURZRARTLPXQC-CYBMUJFWSA-N	316.279	1.006	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@H]2CCC[C@@H]21)c1cccc(F)n1	852709234	PTBQDPJZFVMTGM-PWSUYJOCSA-N	306.341	1.840	50	20	DDGD	
COC(=O)N(C)CCNC(=O)NNc1ccc(Cl)cn1	852656273	UVIXCYZQCQAWQJ-UHFFFAOYSA-N	301.734	1.059	50	20	DDGD	
O=C(NCC1CC1)NNS(=O)(=O)c1cc(F)cc(Cl)c1	755411398	QTDXJFQHZKSTHA-UHFFFAOYSA-N	321.761	1.382	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)c1ccc(C)cc1)[C@H]1CCCO1	754513686	GQBZIWCQSYLORY-HUUCEWRRSA-N	319.405	1.303	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NNc1ccc(Cl)c(C)c1	928340774	DTWWKWPGMLHXGL-UHFFFAOYSA-N	304.799	1.916	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)c(F)c1)C(=O)Nc1ccccn1	758386896	CZKKPVJJBCNFLM-UHFFFAOYSA-N	320.711	1.963	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc(Cl)nc1F	923048454	JKJVRBWODGTPBU-UHFFFAOYSA-N	301.705	1.062	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)c1cccc(C)n1)C1CCCC1	852294005	SRMFHWONHNITAL-CQSZACIVSA-N	320.393	1.539	50	20	DDGD	
Cc1ccc([C@@H](C)N(C)C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1	858693879	AZRSYLNQJVCBPY-YPMHNXCESA-N	318.377	1.007	50	20	DDGD	
CNC(=S)N(C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl	854923696	FUSBTHGOHNDTFK-UHFFFAOYSA-N	316.770	1.258	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)/C=C(\C)C(C)(C)C	854282316	IAKYONXCUGKURZ-ZHACJKMWSA-N	301.456	1.853	50	20	DDGD	
Cc1cccc([C@H]2CCCN2C(=O)NNC(=O)c2cn[nH]c2)c1	858704840	WZJWUJPXORYRRC-CQSZACIVSA-N	313.361	1.910	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H](C)Cn2ccnc2)c1	858154246	BMQIJHKQQHRYBC-SNVBAGLBSA-N	307.379	1.286	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1csc(Br)c1C	854922252	CGIDXGOFHIXEHW-UHFFFAOYSA-N	322.253	1.900	50	20	DDGD	
COc1ccc(NNC(=O)c2cn(CC(F)F)nc2C)nc1	935536907	QXUHKWSHOWBCRT-UHFFFAOYSA-N	311.292	1.617	50	20	DDGD	
O=C(CC[C@H]1CCOC1)NNC(=O)c1cc2c(s1)CCC2	751296905	FEFDHZIXNZPSGP-JTQLQIEISA-N	308.403	1.815	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)CCC1CCOCC1	854282760	SZLYYUMAMAIGTA-UHFFFAOYSA-N	317.455	1.067	50	20	DDGD	
CC(=O)NNC(=O)c1cc(Br)cc2c1OCCO2	854155240	HSYGPQDSSOJHSS-UHFFFAOYSA-N	315.123	1.001	50	20	DDGD	
COc1cc(C)cc(C(=O)NNc2ncccc2[N+](=O)[O-])c1O	759292003	ONQWGWYCQMGREN-UHFFFAOYSA-N	318.289	1.769	50	20	DDGD	
C[C@@]1(CCC(=O)NNc2nc3ccccc3[nH]2)CCC(=O)N1	753431967	BZHVSPSGVUMLRY-HNNXBMFYSA-N	301.350	1.455	50	20	DDGD	
COc1cccc(C(C)(C)C(=O)NNC(=O)c2cnn(C)c2)c1	865936311	JOGLVOYMMNIADS-UHFFFAOYSA-N	316.361	1.168	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCC(=O)N1)c1sc(C(C)C)nc1C	863148522	DKCIKSNDHDMGQG-SNVBAGLBSA-N	308.407	1.694	50	20	DDGD	
Cc1cc(=NNC(=O)CCCc2ccc3c(c2)CC(=O)N3)cc[nH]1	862511060	FAHJRAIKXJSIGK-UHFFFAOYSA-N	324.384	1.773	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)c1ccc(CN2CCCC2)cc1	862469924	FUYZCFDOBPUXSE-UHFFFAOYSA-N	313.361	1.080	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2nn(C)c3c2CCCC3)c1	862479878	FAZUEBRBORWCGM-UHFFFAOYSA-N	318.402	1.744	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2cc(C)cs2)C1	862476219	MLCHYLXRRNBLIW-GHMZBOCLSA-N	324.402	1.797	50	20	DDGD	
CC[C@H](C)Oc1ccc(C(=O)NNC(=O)COCCOC)cc1	869910183	OOHUIYCKACDJCI-LBPRGKRZSA-N	324.377	1.288	50	20	DDGD	
O=C(CCCOc1ccc2c(c1)OCO2)NNC(=O)C1CC1	764514149	JZLBCBGRDYRUGW-UHFFFAOYSA-N	306.318	1.132	50	20	DDGD	
Cn1ccnc1[C@H]1CCCN(C(=O)NNC(=O)C(C)(C)C)C1	767809801	NFIRFYLWDFWORJ-NSHDSACASA-N	307.398	1.386	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COCc2ccccc2)c(C)nn1	767547237	PWTZBFQGPKSFCE-UHFFFAOYSA-N	314.345	1.071	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)OC(C)(C)C	63461090	ZFCZDCFPOFILMF-QMMMGPOBSA-N	303.359	1.456	50	20	DDGD	
CC[C@@H]1C[C@H](C)CCC1=NNC(=O)[C@H](C)NS(C)(=O)=O	769573270	BMIMXCQSESYSHL-OUAUKWLOSA-N	303.428	1.243	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNCC(F)(F)C(F)(F)F	863091659	ZICSYUMVQZRDKS-UHFFFAOYSA-N	300.231	1.387	50	20	DDGD	
CCc1nnc(O)c(C(=O)NN=c2cc[nH]c(C)c2)c1CC	862512885	KHJLUYSUESFJLB-UHFFFAOYSA-N	301.350	1.189	50	20	DDGD	
Cc1cn2ccnc(C(=O)NNC(=O)NC3CCCCC3)c2n1	761408255	XISPRYRVEVYBMR-UHFFFAOYSA-N	316.365	1.314	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)c1c[nH]nc1C	762349630	JPOCQFWDYABKLK-UHFFFAOYSA-N	320.374	1.280	50	20	DDGD	
O=C1N[C@@H](C(=O)NNc2ccc(Cl)cc2Cl)CCO1	860313606	JWSYVIWSSIEWLT-SECBINFHSA-N	304.133	1.935	50	20	DDGD	
CC(C)(C)Cc1csc(NC(=O)c2ccc(B(O)O)cc2)n1	863877607	AYOBQRUPQOCROP-UHFFFAOYSA-N	318.207	1.664	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2ccc(OC(F)(F)F)cc2)CN1	761584707	KZTMOHYTJAJNED-QMMMGPOBSA-N	317.267	1.555	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)CC)cc1	764083913	KPZFBTPNHWOUTD-JTQLQIEISA-N	307.350	1.217	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1cccc(C(C)C)c1	878013997	GJRSUTBTCRFZJS-UHFFFAOYSA-N	309.366	1.626	50	20	DDGD	
CC(C[C@@H]1CCCC(=O)N1)=NNC(=O)c1ccc(C)c(O)c1	1119302444	PMLWPUFTTSCBDV-ZDUSSCGKSA-N	303.362	1.865	50	20	DDGD	
O=C(NN=C1CC[C@@H]2C[C@H]12)c1csc(N2CCOCC2)n1	872334379	VMXBVPFQDRORTH-ZJUUUORDSA-N	306.391	1.495	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cnc(C)nc2C)nc1	777427955	NCJUKKQQXLJRFS-UHFFFAOYSA-N	301.306	1.032	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2c[nH]c(Br)c2)o1	1116224694	MSVKSAHCEIOSLR-UHFFFAOYSA-N	312.123	1.753	50	20	DDGD	
COc1cc(CC(=O)NNc2nncc(N)c2Cl)ccc1C	1116305462	ZQWZLGNGJRSRQH-UHFFFAOYSA-N	321.768	1.715	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=CC2CCN(C)CC2)cc1C	872338458	QBRSHPNAUJSXOC-UHFFFAOYSA-N	316.405	1.686	50	20	DDGD	
CN(C)CC1(C(=O)NNC(=O)Cc2ccc(Cl)cc2)CC1	873807804	DSMSATYEGQGGTF-UHFFFAOYSA-N	309.797	1.372	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(C(=O)OC)sc1C	879853992	BXGSFHODENTCTA-UHFFFAOYSA-N	314.367	1.541	50	20	DDGD	
CC1CCN(C(=O)C(=O)NNC(=O)c2ccccc2Cl)CC1	1116625603	BQXCGJUEHTWQFM-UHFFFAOYSA-N	323.780	1.360	50	20	DDGD	
CCc1ccnc(C(=O)NNC(=O)c2cccc(OC)c2O)c1	774816254	VUKADINTXJHGQK-UHFFFAOYSA-N	315.329	1.433	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C#N)s1	772168143	OMGFPAWZJFAQAA-SECBINFHSA-N	323.374	1.359	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)C(F)=C3CCCC3)nc21	770990041	KDMMTDPJNGHEJR-UHFFFAOYSA-N	306.301	1.310	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cccnn1)c1ccc(OC)cc1	882056664	BWBOJURHPYHKAP-CYBMUJFWSA-N	314.345	1.440	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc1	880533434	JVSATEJFMKAQHW-DUVNUKRYSA-N	318.373	1.660	50	20	DDGD	
CNC(=O)NNC(=O)c1csc(-c2ccc(F)c(F)c2)n1	779887632	MOHMAWXWIOLXKD-UHFFFAOYSA-N	312.301	1.662	50	20	DDGD	
Cc1cccn2cc(CNS(=O)(=O)CCCCl)nc12	882032300	YLZUTIUOAIUFMC-UHFFFAOYSA-N	301.799	1.691	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)CN1CCCS1(=O)=O	885123717	GBQULSSOEWDBRH-UHFFFAOYSA-N	317.798	1.127	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cc(C2CCCCC2)[nH]n1	883067042	RSHOAHBRZWSHSO-UHFFFAOYSA-N	320.393	1.645	50	20	DDGD	
C[C@H]1CN(Cc2cn(/C=C/CBr)nn2)C[C@@H](C)O1	887550295	PHUZBLOUPWJDRE-RSSNJPKISA-N	315.215	1.753	50	20	DDGD	
N#Cc1ccc(NNC(=O)N[C@H]2CCCN3CCCC[C@H]23)nc1	889319853	FWEBNOPIVWFYDR-UONOGXRCSA-N	314.393	1.596	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCC2CCOCC2)cc1O	882049706	ZZLFEEAJGKLSGA-UHFFFAOYSA-N	306.362	1.668	50	20	DDGD	
CC(=O)N1CCN(CCNC(=O)C2CCC(Cl)CC2)CC1	1123595954	RJBYEEHSANZGDX-UHFFFAOYSA-N	315.845	1.064	50	20	DDGD	
C#CCCCC(=O)NNC(=O)COc1cc(C)ccc1Cl	887139122	AXAMAMGVHOEEBY-UHFFFAOYSA-N	308.765	1.978	50	20	DDGD	
Cn1cnc(CNC(=O)NC[C@@]2(C)C[C@@H]2Br)c1	895922273	IZALBAXXGYUATM-GXSJLCMTSA-N	301.188	1.393	50	20	DDGD	
COc1cccc(NNC(=O)C[C@@H]2OC(=O)c3ccccc32)n1	780770756	RQLRNFOLTYAKOU-LBPRGKRZSA-N	313.313	1.835	50	20	DDGD	
CN(C)Cc1ccsc1C(=O)NNC(=S)NC(C)(C)C	899996935	ZAOAVWDQXRHMPR-UHFFFAOYSA-N	314.480	1.717	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@@H]1CC[C@@H](C)C1	780787332	VVEBSIBZRVBTNI-DGCLKSJQSA-N	305.378	1.757	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC(=O)c2ccccc21)c1ccccc1F	789603284	DQPWCDVTZITOJC-ZDUSSCGKSA-N	312.300	1.957	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(O[C@H]3CCOC3)cc2)ncn1	790719295	SDHQMJVHYQMYDP-AWEZNQCLSA-N	314.345	1.710	50	20	DDGD	
COc1ccc([C@@H](NC(C)C)C(=O)NNC(=O)C2CCC2)cc1	896292501	BAKGLEYOFBWLRS-OAHLLOKOSA-N	319.405	1.682	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)NCC(F)(F)F)[nH]c1C	799477461	AWJDGMVSGIPAND-UHFFFAOYSA-N	320.271	1.695	50	20	DDGD	
N#C/C(=C\c1cnc(N2CCCC2)nc1)C(=O)C1CCOCC1	794959405	WLLYRBASIQPSEB-OQLLNIDSSA-N	312.373	1.979	50	20	DDGD	
Cc1ccccc1-n1nccc1C=NNC(=O)C(=O)NC(C)C	794482586	OBUJBEPSVXGWTI-UHFFFAOYSA-N	313.361	1.155	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1c(C)cc(C)cc1O	799886596	WRSNFQDWLJUTIN-UHFFFAOYSA-N	304.394	1.690	50	20	DDGD	
Cn1cc2c(n1)CCCC2=NNC(=O)c1cccc([N+](=O)[O-])c1	794445345	LESYCXRNMCYOHX-UHFFFAOYSA-N	313.317	1.799	50	20	DDGD	
CCNC(=O)CCC(=O)NNc1ccc(C(=O)OCC)c(C)c1	794651252	TYRKAVTUSOINSW-UHFFFAOYSA-N	321.377	1.531	50	20	DDGD	
CC(C)(C)n1nccc1NC(=O)NNC(=O)CC(F)(F)F	792378040	IOTLYTIRIHBNGN-UHFFFAOYSA-N	307.276	1.743	50	20	DDGD	
CS[C@H]1CC[C@@H](NC(=O)NNC(=O)c2cccc(C)n2)C1	792964820	HVHWWORZVOCLNK-MNOVXSKESA-N	308.407	1.618	50	20	DDGD	
Cc1nnc([C@@H](C)NC(=O)c2c(C)nn(CCCl)c2C)o1	1319261990	KKYJWTKRGHFSBF-MRVPVSSYSA-N	311.773	1.921	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)CNc2ccc(C)cc2)nn1C	1319988318	AIYYUFALTQOVMA-UHFFFAOYSA-N	315.377	1.164	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNC(=O)c1ccc(OC)cc1	1324924519	SVSLBZBINJMLFH-UHFFFAOYSA-N	322.361	1.436	50	20	DDGD	
CC(=NNC(=O)c1n[nH]c2c1CCCC2)c1cc(C)nn1C	1323267268	PHDMDGYKICIMTI-UHFFFAOYSA-N	300.366	1.484	50	20	DDGD	
O=C(CO[C@H]1CCOC1)OC[C@H](CBr)C1CC1	1328879316	SJUMRROHDLZFQA-QWRGUYRKSA-N	307.184	1.756	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1c[nH]c2nccc-2c1	1324427972	BDWPWVKGPDXZPM-UHFFFAOYSA-N	324.344	1.191	50	20	DDGD	
CCOC(=O)C[C@H]1CCCN1CCI	1321117039	CNOPZJVPHLWHHK-SECBINFHSA-N	311.163	1.839	50	20	DDGD	
O=C(CCN1C(=O)CCc2ccccc21)NNc1ccncn1	1324543329	LIURWBDCCUNGQZ-UHFFFAOYSA-N	311.345	1.289	50	20	DDGD	
COC1CCC(CC(=O)NNc2nncc(N)c2Cl)CC1	1335933335	ZHLUAABUNAAFQX-UHFFFAOYSA-N	313.789	1.751	50	20	DDGD	
COc1cccn2ncc(C(=O)NNC(=O)CC(C)(C)C)c12	1334271234	NPJZOJAOOXECQJ-UHFFFAOYSA-N	304.350	1.540	50	20	DDGD	
Cc1n[nH]c(C)c1C[C@H](C)C(=O)NNc1nncc(N)c1Cl	1253124430	STNATKVDPIUKJJ-LURJTMIESA-N	323.788	1.374	50	20	DDGD	
C[C@]1(COC(=O)CS(=O)(=O)C2CC2)C[C@@H]1Br	1345266195	OHUWDNSBZMPNGH-WCBMZHEXSA-N	311.197	1.280	50	20	DDGD	
Cc1cc([C@@H](C)NC(=O)NNC(=O)C2CCNCC2)ccc1F	1345141143	JBGXDVHMMDWDND-LLVKDONJSA-N	322.384	1.525	50	20	DDGD	
CC(C)n1cncc1C=NNC(=O)c1n[nH]c2c1CCCC2	1261439236	FBMMDTFBXMHGHE-UHFFFAOYSA-N	300.366	1.830	50	20	DDGD	
C[C@]1(C(=O)N2CCCN3CCC[C@@H]3C2)C[C@@H]1Br	1353989315	JOMFSSYZWVUQPB-MDZLAQPJSA-N	301.228	1.857	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cccc(C(=O)O)c2)cc1	1606573936	FJAWIYIXVPAFKA-UHFFFAOYSA-N	314.297	1.928	50	20	DDGD	
N#C/C(=C/c1cccc(F)c1-c1nn[nH]n1)C(=O)N1CCCC1	1609492796	AVMXVFGHLMYJEK-FLIBITNWSA-N	312.308	1.535	50	20	DDGD	
C[C@H]1CN(C[C@@H](CBr)C2CC2)C[C@@H](C(=O)O)O1	1607475299	JBVNBYQYBIJGAC-GDPRMGEGSA-N	306.200	1.581	50	20	DDGD	
O=C(O)C12CC(C(=O)NNc3ccc(C(F)(F)F)nn3)(C1)C2	1601728960	UCZVZIPTNUKXHM-UHFFFAOYSA-N	316.239	1.193	50	20	DDGD	
Cc1oc(C(=O)NNc2cccc(C(=O)O)c2C)cc1CO	1600823455	SHRDQFHHEGPFPS-UHFFFAOYSA-N	304.302	1.844	50	20	DDGD	
CC(=O)NNC(=O)Nc1cccc(C(=O)O)c1Br	1609622424	WDQFHFRGLKRCIA-UHFFFAOYSA-N	316.111	1.320	50	20	DDGD	
CC1(C)OC[C@@H]2C[C@]21C(=O)NNc1ccc(C(=O)O)c(F)c1	1604561074	YVMMICSHXKZGCZ-VXJOIVPMSA-N	308.309	1.782	50	20	DDGD	
Nc1cc(C(=O)NNc2ccc(C(=O)O)cc2F)cc(Cl)n1	1608272383	MKEDOHAVSMXWIU-UHFFFAOYSA-N	324.699	1.911	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)N[C@H]2CCCSC2)cc1	1602127566	RYCOMWORPMAEAD-LBPRGKRZSA-N	309.391	1.835	50	20	DDGD	
O=C(NCC1(C(=O)O)CCOCC1)C1CCC(Cl)CC1	1601472609	MPCLBSFAPSILBW-UHFFFAOYSA-N	303.786	1.782	50	20	DDGD	
O=C(O)c1cc(C(=O)NNc2ccccn2)n(-c2ccccc2)n1	1608836949	AKWXUNXZVHHXRT-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
COc1cccc(OCC(=O)NNc2ccc(C(=O)O)cn2)c1	1607327307	DQMBXBFOBULDOU-UHFFFAOYSA-N	317.301	1.311	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)CC[C@H]1CCCO1	1610287179	DGUBRBHPQFTEJB-LLVKDONJSA-N	308.334	1.796	50	20	DDGD	
O=C(O)c1cnc(C(=O)NNc2ccc(F)c(F)c2F)cn1	1611565365	DSLCLLQCHMZMJJ-UHFFFAOYSA-N	312.207	1.349	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccc(C(=O)O)cn2)c(O)c1C	1610484797	HYRJGASGWDZICG-UHFFFAOYSA-N	301.302	1.859	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCN(C[C@H](CBr)C2CC2)C1	859295406	UEGCIRGHNJJLLW-WDEREUQCSA-N	310.257	1.526	50	20	DDGD	
CNNC(=O)c1cc(C)c(OCC(=O)N2CCCCC2)c(C)c1	1578744338	DMLHTNWJKVSXCS-UHFFFAOYSA-N	319.405	1.559	50	20	DDGD	
O=C(NNC(=O)c1ccc(C(=O)O)[nH]1)c1ccc2ccccc2n1	1574820005	WTKDMOCPWQFNQY-UHFFFAOYSA-N	324.296	1.336	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCC[C@]2(C)N)cc1O	1579663784	ICKRBYRURIRWJN-LRDDRELGSA-N	305.378	1.369	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCNC1)c1ccsc1C(F)F	1580732652	GDOYTMVREOOWFB-SSDOTTSWSA-N	303.334	1.446	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)[C@H]1C[C@H]2CC[C@@H]1N2	1580532313	BAAAUYNUFXXRKY-ILXRZTDVSA-N	301.390	1.297	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNc2ccc(F)c(C(=O)O)c2)c1	1589253747	RFTRBKNQTRZDFW-UHFFFAOYSA-N	305.265	1.812	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cnc(C)[nH]1)C2	1845163232	MDQNGBIGSGEZHX-LLVKDONJSA-N	324.812	1.553	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@H]1C(=O)O)c1ccc(Cl)cc1F	1594782757	KIPSUDZZEAGYOC-HTQZYQBOSA-N	314.700	1.351	50	20	DDGD	
C=C1CC(C(=O)N2CC3(CCCN3C(=O)C(Cl)Cl)C2)C1	1846386549	YWGLNGRISAVANW-UHFFFAOYSA-N	317.216	1.960	50	20	DDGD	
CC1=C(C(=O)NNc2ccc(F)c(C(=O)O)c2)C(=O)OC1(C)C	1594094020	UGPDGTRJXFZNBI-UHFFFAOYSA-N	322.292	1.619	50	20	DDGD	
O=C(NN=C1CCc2ccc(-c3nn[nH]n3)cc21)C1CCCC1	1593155372	KISTWVULWNLOLO-UHFFFAOYSA-N	310.361	1.823	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1590385364	PRELKFJNODRBOD-ZDUSSCGKSA-N	323.357	1.236	50	20	DDGD	
CO[C@H](C(=O)O)C(=O)NNc1ccc(Br)c(C)c1	1593911618	OQOPEHIQOLVLDQ-VIFPVBQESA-N	317.139	1.300	50	20	DDGD	
CC[C@H](OC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C)C(=O)O	1595332273	SUPWVQREMCLFIQ-PTJCHJMSSA-N	301.302	1.519	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@H]1CCCOCC1	1599376410	SMVSYFSQGJTFPL-JTQLQIEISA-N	308.334	1.653	50	20	DDGD	
COc1cccc(NNC(=O)c2ccsc2-c2nn[nH]n2)n1	1591641649	NSMGGEKHGFIYIU-UHFFFAOYSA-N	317.334	1.089	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1C[C@@H](C(=O)O)C2(CCC2)C1	1776293896	GSVRDCSKLPPENZ-JTQLQIEISA-N	323.842	1.768	50	20	DDGD	
COCCCNC(=O)NN=Cc1cccc(O[C@H](C)C(=O)O)c1	1776039444	ZEYIVVXHWLWXLM-LLVKDONJSA-N	323.349	1.208	50	20	DDGD	
O=C(Cc1ccccc1O)NN=Cc1ccc(C(=O)O)c(F)c1	1776094314	MLAGSMGUIAEORU-UHFFFAOYSA-N	316.288	1.922	50	20	DDGD	
C/C=C(\C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl	1796370631	NNYWHPVAAOAAOC-RBNGWJLCSA-N	318.776	1.077	50	20	DDGD	
O=C(NNC(=O)c1ccc(OC(F)F)cc1)c1ccncc1	5423477	GIQVEYTWECMSEF-UHFFFAOYSA-N	307.256	1.758	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cnn(-c2ccccc2)n1	17398685	SOZFMBHRVLAPDA-UHFFFAOYSA-N	303.322	1.437	50	20	DDGD	
O=C(NNC(=O)c1c(F)ccc(F)c1F)c1ccccc1O	161502996	YINYKYQYLPJYQF-UHFFFAOYSA-N	310.231	1.884	50	20	DDGD	
CS(=O)(=O)c1ccc(C(=O)NNc2cccc(C#N)c2)cc1	152714830	ODDMNFKYGSPHNQ-UHFFFAOYSA-N	315.354	1.719	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCN(C)C(=O)C2)cc1	152637457	JRKXWUNBWYEEIP-UVTDQMKNSA-N	313.357	1.293	50	20	DDGD	
Cc1coc(-c2cccc(NC(=O)NNC(=O)CCO)c2)n1	156189449	VGWAZQRRVANJRS-UHFFFAOYSA-N	304.306	1.185	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cccnc1N1CCCCC1	157842997	RPVFQXWUEXEPNY-UHFFFAOYSA-N	316.340	1.758	50	20	DDGD	
O=C(NNc1cccc(F)c1)c1cnc2sccn2c1=O	154462427	CCANSCQCRRPIJS-UHFFFAOYSA-N	304.306	1.652	50	20	DDGD	
COc1ccsc1S(=O)(=O)NNC(=O)OC(C)(C)C	274119609	YGYHJEIHIPQJJN-UHFFFAOYSA-N	308.381	1.475	50	20	DDGD	
O=S(=O)(c1ccc(CCl)cc1)N1CC[C@](F)(CO)C1	915336167	GGVGSRAVWAZMNZ-GFCCVEGCSA-N	307.774	1.520	50	20	DDGD	
CCCN(CCC)CCCNC(=O)NNc1ccc(C)nn1	106338662	YBUXJCMXWAXATE-UHFFFAOYSA-N	308.430	1.923	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)N[C@H]1CCN(CC(F)(F)F)C1	103311916	XGSANHSEMBERSQ-VIFPVBQESA-N	324.347	1.390	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(-c2ccncc2)on1	119924701	SKGUYLJBZKTWSA-UHFFFAOYSA-N	303.347	1.032	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1ccc2ncsc2c1	173931608	ZVBWQCLZBFBXMN-UHFFFAOYSA-N	311.330	1.720	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1[nH]c2ccccc2c1Cl	58248451	LVRGZJZTLTUINU-JTQLQIEISA-N	307.737	1.761	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCC(c2ccc(O)cc2)CC1	111197607	XYDOAOMRVAVSAT-GFCCVEGCSA-N	319.405	1.518	50	20	DDGD	
COC(=O)Cn1ccc(NC(=O)NNc2ccccc2Cl)n1	179866398	ZKQYQBUUADLMRS-UHFFFAOYSA-N	323.740	1.858	50	20	DDGD	
O=C(CN1CCC[C@H]1c1ccc(F)cc1)NNC(=O)C1CC1	112976405	VMMHSAJCGBFETQ-AWEZNQCLSA-N	305.353	1.520	50	20	DDGD	
Cc1cc(C)c2cc(C(=O)NNC(=O)c3cnn(C)c3)[nH]c2c1	117820088	LVHIHCDDXGPINB-UHFFFAOYSA-N	311.345	1.593	50	20	DDGD	
O=C(NNc1ncccn1)c1cc(Cl)nc(N2CCCC2)c1	112628625	USLDKMXJHRICJM-UHFFFAOYSA-N	318.768	1.882	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F	113459750	DHRFMKXEPXUUNZ-GHMZBOCLSA-N	311.357	1.750	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	173073072	IVVVXNMANKMGFR-LBPRGKRZSA-N	324.352	1.723	50	20	DDGD	
COC(=O)[C@H]1CCC[C@H](C(=O)NNc2nc(C)cc(C)n2)C1	173799758	ZECAQSGIOSMSPL-RYUDHWBXSA-N	306.366	1.516	50	20	DDGD	
C#CCCCNC(=O)NNC(=O)c1cc(Br)c[nH]1	173321128	CLIYDTZLZXPWCL-UHFFFAOYSA-N	313.155	1.135	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)c1c(C)nc2ccccn12	66309068	HAJYTQMCWVNDRL-LBPRGKRZSA-N	316.361	1.385	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2)CN1C1CC1	119101113	FYMHRQIDQGZEJL-WCQYABFASA-N	302.378	1.256	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)Nc2cc(F)ccc2F)cc1	119664993	QBHFCGZJRCEPQL-UHFFFAOYSA-N	316.267	1.918	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@H](C)CSC	66928663	PBTAWTMIJXRPAL-SNVBAGLBSA-N	311.407	1.254	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2ccnc(C)n2)cc1	65741706	CEGLOJAJJCEFEU-UHFFFAOYSA-N	314.345	1.187	50	20	DDGD	
CCCCNC(=O)NNC(=O)COc1cccc([N+](=O)[O-])c1	64425450	RACZMDCYECXXFC-UHFFFAOYSA-N	310.310	1.104	50	20	DDGD	
CS[C@@H](C(=O)NNc1ncnc2nc[nH]c12)c1ccccc1	173940502	JDNOJEIZJUUHMR-LLVKDONJSA-N	314.374	1.900	50	20	DDGD	
Cc1cc(NNC(=O)c2c(C)nn3c(C)cc(C)nc23)ncn1	172278570	SRYQSSKFKOEALI-UHFFFAOYSA-N	311.349	1.510	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cn2nc(C)cc2C)c(F)c1	175732963	DLAJLOURRULHOL-UHFFFAOYSA-N	304.325	1.409	50	20	DDGD	
COCCCCC(=O)NNC(=O)c1ccc2ccccc2n1	122113709	UQWWPAPHTNSTIM-UHFFFAOYSA-N	301.346	1.813	50	20	DDGD	
CCCCN(C)c1ccc(NC(=O)NNC(=O)CCO)cc1	123620872	MJXHFMRLKHATNV-UHFFFAOYSA-N	308.382	1.458	50	20	DDGD	
Cc1cc(C)c(OCC(=O)NNC(=O)[C@@H]2CCCO2)c(C)c1	32257300	NQCJBSYWDWOVQR-ZDUSSCGKSA-N	306.362	1.317	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1c(F)cc(Cl)cc1F	121192993	YKURPQXJAPRWIZ-UHFFFAOYSA-N	306.700	1.333	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@H]([C@@H](C)O)C1	127715366	NGIIFGUDFXCXRQ-OLZOCXBDSA-N	313.829	1.972	50	20	DDGD	
CC[C@H](NC(=O)NNc1nc2ccccn2n1)[C@@H]1CCCO1	189678810	WKHMJRHEPFVMLZ-QWRGUYRKSA-N	304.354	1.313	50	20	DDGD	
O=C(O)C[C@H](NS(=O)(=O)CCCCl)c1cccs1	37843443	ZAENSZJIPGXOOX-QMMMGPOBSA-N	311.812	1.812	50	20	DDGD	
CCN(CCS(C)(=O)=O)C(=O)/C(C#N)=C\c1ccc(F)cc1	183750011	HLFXHMPGHVXQQW-RAXLEYEMSA-N	324.377	1.626	50	20	DDGD	
C[C@H](Oc1ccccc1Br)C(=O)NN(C)C(N)=O	181070898	HLLYEGFSSGSTEY-ZETCQYMHSA-N	316.155	1.258	50	20	DDGD	
Cc1cc2occ(C(=O)NNC(=O)N3CCOCC3)c2cc1C	185075410	VDCRDEXOXWYZSN-UHFFFAOYSA-N	317.345	1.736	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@H](C)S(C)(=O)=O	181325769	WMYRILPJPCZKQC-JTQLQIEISA-N	307.375	1.419	50	20	DDGD	
CC[C@@H](CC1CCCCC1)C(=O)NNC(=O)C(=O)N1CCCC1	72572053	MFMSGOOINAKJHS-AWEZNQCLSA-N	323.437	1.753	50	20	DDGD	
CN(CC1(O)CCOCC1)C(=O)/C(C#N)=C\c1ccc(F)cc1	188058217	YXIMYEURVMXJNT-UVTDQMKNSA-N	318.348	1.733	50	20	DDGD	
COc1ccc(NNC(=O)Cc2cnn(-c3ccccc3)c2)nc1	187472964	YNUUMPIYCIGYIU-UHFFFAOYSA-N	323.356	1.962	50	20	DDGD	
Cc1ocnc1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	129145927	QEHUJPRLSLAGAZ-VIFPVBQESA-N	307.281	1.351	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1	187456598	JWLGCMUGPZDUQR-CABCVRRESA-N	319.405	1.765	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C2=CCOCC2)c1	184178328	JDFBSLWNUTULJO-UHFFFAOYSA-N	304.346	1.176	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NNc1nccnc1OC	186449181	FFMTWGMEWOJMDB-RYUDHWBXSA-N	308.382	1.914	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)NC[C@H]2CCCO2)cc1C#N	132474413	SHKIQACOCQLRMV-CKNOQMABSA-N	311.341	1.769	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2cccc([N+](=O)[O-])c2)c1	181493760	FYQIKIDBGYWBAP-UHFFFAOYSA-N	314.301	1.985	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NNC(=O)CC2CCCC2)c1	78712049	UVKYAVKIRAGAJX-UHFFFAOYSA-N	324.402	1.431	50	20	DDGD	
CS[C@@H](C)C(=O)NNC(=O)c1cc(-c2ccccc2)on1	47935300	WEFWYBLHHITQSG-VIFPVBQESA-N	305.359	1.854	50	20	DDGD	
O=C(NC[C@@H]1CCN(C2CC2)C1)NNc1cccc([N+](=O)[O-])c1	79457285	DDPQJRWFIXBNNA-NSHDSACASA-N	319.365	1.705	50	20	DDGD	
COc1ccc(O)c(C(=O)NNC(=O)CCc2ccccc2)c1	132560292	LMDIRXABCRKDSD-UHFFFAOYSA-N	314.341	1.795	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](C)CN2CCC[C@H](C)C2)o1	84433793	FIRAHZRUCGBLQV-RYUDHWBXSA-N	322.409	1.652	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CCc1nc(-c2ccccn2)no1	46669812	KIQVDRVUNNQVGC-UHFFFAOYSA-N	317.349	1.258	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)CC2CCSCC2)n1	134019191	YLQRLUZVAFNBFW-UHFFFAOYSA-N	301.803	1.689	50	20	DDGD	
CN(CCN1CCOCC1)C(=O)/C(C#N)=C\c1ccc(O)cc1	194533221	KDDNBGWISQAUKI-QINSGFPZSA-N	315.373	1.090	50	20	DDGD	
O=C(NCCCNc1ccccn1)NNc1cncc(Cl)n1	194066367	MTCIMYPBKOBVTB-UHFFFAOYSA-N	321.772	1.653	50	20	DDGD	
CN(C)C(=O)NNC(=O)Cc1csc(-c2cccs2)n1	194929802	ORNPKDOYTYNBKX-UHFFFAOYSA-N	310.404	1.717	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNc2nc3ccccn3n2)cc1	191881792	UYJVLHSDHQSFMZ-UHFFFAOYSA-N	310.317	1.445	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1	245747796	WWERYAIAHJLEHO-HZSPNIEDSA-N	311.426	1.960	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1ccccc1[N+](=O)[O-])C(C)C	264616866	IETAJMQUCDXDFM-NSHDSACASA-N	310.310	1.419	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C2CCSCC2)cc1	264908144	MSODZFHVSREJRJ-UHFFFAOYSA-N	308.403	1.664	50	20	DDGD	
O=C(NCC12CCC(CC1)C2)NNc1nc2ccccn2n1	364928396	AECZSRFGRJTHCW-UHFFFAOYSA-N	300.366	1.936	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@H](NC(=O)NNc2nc(C)cc(C)n2)C1(C)C	271761292	BHKXRFOMFJTVHT-GRYCIOLGSA-N	307.398	1.779	50	20	DDGD	
Cc1nc(C(=O)NNc2cccc(Cl)c2)nn1-c1nc[nH]n1	368737860	FDDRGTFQWWUTOO-UHFFFAOYSA-N	318.728	1.104	50	20	DDGD	
Cc1coc2ccc(NC(=O)C(=O)NNC(=O)C3CC3)cc12	275078422	RCTDDRDCNKSKOD-UHFFFAOYSA-N	301.302	1.237	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H](OC)c1ccccc1	276619614	UNLZDUNSQMHYQO-CYBMUJFWSA-N	324.377	1.311	50	20	DDGD	
CNC(=O)NNC(=O)CCc1cc(F)ccc1Br	273002492	AIQDREZFTDODQQ-UHFFFAOYSA-N	318.146	1.481	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cc2c(cc1OC)CCC(=O)N2	274394482	JBCOKACVOLIHNW-PKNBQFBNSA-N	315.329	1.962	50	20	DDGD	
COC(=O)N(C)CC(=O)NNc1ccc(C(F)(F)F)cn1	274723122	FUVPVLFOHWDOBQ-UHFFFAOYSA-N	306.244	1.242	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O	286140604	CAZQNMKYOGLTGC-RNFRBKRXSA-N	320.246	1.121	50	20	DDGD	
CC[C@@H]1C[C@H]1NC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	280823420	SOYOJTRYIJKERA-GMSGAONNSA-N	308.294	1.043	50	20	DDGD	
C[C@@H](CF)NC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	289243195	SVVMPTNZEUKFTA-ZETCQYMHSA-N	320.271	1.982	50	20	DDGD	
COC(=O)N(C)NC(=O)C(C)(C)c1ccc2c(c1)OCCO2	286309094	KIMGJBNDKLZEMW-UHFFFAOYSA-N	308.334	1.465	50	20	DDGD	
C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NNc1ncccc1F	285969013	MDCRVSAYQIGRSB-VIFPVBQESA-N	312.345	1.825	50	20	DDGD	
COC(=O)N(C)NC(=O)CCC(=O)c1ccc(F)cc1F	286428983	QWNSZMDYTNZPIL-UHFFFAOYSA-N	300.261	1.657	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C	281379250	XDNAEOOBZHPNKI-UHFFFAOYSA-N	322.390	1.815	50	20	DDGD	
C=CCC1(C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)CCC1	282775152	KXDSFFFXKXKHRG-UHFFFAOYSA-N	315.373	1.827	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C1Cc2ccccc2C1	288020265	PYTWRGFQKABMHT-UHFFFAOYSA-N	320.389	1.338	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cccc(C(N)=O)c1	805377897	CDCKLMVRADLQTD-UHFFFAOYSA-N	314.301	1.759	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)CSC(F)F)c1	295404438	MNKJKDGVLUAKNM-UHFFFAOYSA-N	319.333	1.210	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)c1cccc2ncccc12)C1CC1	291721022	PTDXKGCTUKNPCJ-KRWDZBQOSA-N	313.357	1.811	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1noc2c1CCCCC2	295563949	MYVFKNJFQCREFH-GFCCVEGCSA-N	307.350	1.274	50	20	DDGD	
CCCNC(=O)NN=Cc1c(C)nn(-c2ccccn2)c1C	802710079	OKXFERYQFGNDHY-UHFFFAOYSA-N	300.366	1.927	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2cnnn2C)cc1	291776775	UJAOEOSOGLJCHM-MDWZMJQESA-N	311.345	1.437	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21)Nc1cc(F)cc(F)c1	801999931	GZAGMSBIWRKJMG-IJLUTSLNSA-N	311.288	1.543	50	20	DDGD	
Cc1[nH]nc(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)c1O	802006524	OGLIAXGHLMUJND-UHFFFAOYSA-N	311.248	1.168	50	20	DDGD	
Cc1ncc(C(=O)NNC(=S)NCCc2cccs2)[nH]1	807917197	QHLZCPVRLATKSD-UHFFFAOYSA-N	309.420	1.131	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)COC1CCCC1	298696995	HSFKOGMUSIVMQX-UHFFFAOYSA-N	310.325	1.311	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H](OC)c2cnn(C)c2)cc1	294223418	FGJTVGFKWYLFKT-CQSZACIVSA-N	304.350	1.650	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNc1ncncc1Cl)c1nncn1C	805765736	YIZFNJCLRAPYJW-SECBINFHSA-N	324.776	1.282	50	20	DDGD	
Cc1nn(C)c(-n2cccn2)c1C(=O)NNc1ncccc1F	804220008	LITSJVXLFJSNRR-UHFFFAOYSA-N	315.312	1.205	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)N=c1cc[nH]cc1)n1cnc2ccccc21	802031278	FHOKFIRDKSCYOC-NSHDSACASA-N	324.344	1.267	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCCCC(=O)N(C)C	299155437	RVJPSHBMCZXPDM-UHFFFAOYSA-N	321.381	1.199	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H](F)C(F)(F)F)c1	290023729	POKQLPOTGYGEAL-LLVKDONJSA-N	322.258	1.730	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc(-n2cccn2)cc1	295381270	KQMFPYCHFOGPKF-AWEZNQCLSA-N	314.345	1.202	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1cccc(NC(=O)c2ccco2)c1	816634085	XYKHZHJUAPSNIQ-UHFFFAOYSA-N	312.289	1.407	50	20	DDGD	
O=C(CNc1ccccc1)NN=Cc1ccccc1-n1cncn1	814711073	BYPUEVQCCSEFFJ-UHFFFAOYSA-N	320.356	1.830	50	20	DDGD	
CCNC(=O)NN=C(C)c1ccc(-n2c(C)cnc2O)cc1	814817135	DJKVRYHRRSQCSS-UHFFFAOYSA-N	301.350	1.929	50	20	DDGD	
Cc1c(C(=O)NNc2nc[nH]n2)cnn1-c1ccc(Cl)cc1	816631724	BVSFARPVJSKJFX-UHFFFAOYSA-N	317.740	1.709	50	20	DDGD	
CCOc1ccc(C(=O)NN=Cc2ccn(C)n2)cc1OC	814754470	JEHADMXIGPDGBC-UHFFFAOYSA-N	302.334	1.591	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNc1nc2ccccc2n1C	816579590	WEFMWBOKRWRIQC-UHFFFAOYSA-N	318.377	1.996	50	20	DDGD	
CC(C)OCCONC(=O)NNC(=O)C(C)(C)c1ccccc1	812886037	WCPFMCSQRUSMSY-UHFFFAOYSA-N	323.393	1.651	50	20	DDGD	
Cn1nncc1NNC(=O)c1cc(Cl)c(N)c(Cl)c1	816770784	LQDNZDYCURRWMX-UHFFFAOYSA-N	301.137	1.461	50	20	DDGD	
O=C(NC[C@H]1C[C@H]2C=C[C@H]1CC2)NNC(=O)c1ccccc1O	817786877	BFRYBBBAEDJWCS-RWMBFGLXSA-N	315.373	1.939	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CCc2cncs2)c1	814408319	GUUIFESAUGRQBU-UHFFFAOYSA-N	300.343	1.409	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)c2cccc3cccnc23)cn1	814823947	CNXLVULNVXWSFY-UHFFFAOYSA-N	320.356	1.855	50	20	DDGD	
Cn1ncc(C=NNC(=O)Nc2ccc(OC(F)F)cc2)n1	814856172	AJTRMFJUAOABLI-UHFFFAOYSA-N	310.264	1.572	50	20	DDGD	
CC(=NNC(=O)N=c1cc[nH]cc1)c1csc(C(=O)O)c1	815001829	CZCQSPNXDGIDLX-UHFFFAOYSA-N	304.331	1.809	50	20	DDGD	
Cc1ccc(F)c(CCNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	826922768	FEVQEHJQXMRLOL-AAEUAGOBSA-N	323.368	1.432	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCCCN2CCCCCC2)cn1	490975329	OXOYHBHVGPCGEV-LFIBNONCSA-N	315.421	1.709	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNC(=O)Nc1ccccc1	496415451	FZQCZDDNDOKOBA-JQWIXIFHSA-N	322.365	1.610	50	20	DDGD	
CC(C)(C)CC(=O)NN=C1C(=O)Nc2ccc([N+](=O)[O-])cc21	728431505	VLLJYODTNNQDMO-UHFFFAOYSA-N	304.306	1.803	50	20	DDGD	
CC(C)OC(=O)[C@@H](C)CNC(=O)/C(C#N)=C\c1cnn(C)c1	491174682	IMQMODZAPSHCBC-LEBPBNDJSA-N	304.350	1.031	50	20	DDGD	
Cc1cc(CC(=O)NNC(=S)Nc2ccc(Cl)nc2)n[nH]1	727073892	UBMJAZREIZDMRD-UHFFFAOYSA-N	324.797	1.327	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCc2c(F)cccc2C1	827280921	FIXTYENFAGNSDB-JQWIXIFHSA-N	321.352	1.350	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cc[nH]c1	496774424	RNLANIHSAFMTED-LBPRGKRZSA-N	304.350	1.381	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccc(N2CCCC2=O)c1	494657518	AFKABECWWCEONG-UHFFFAOYSA-N	306.322	1.596	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(-c2ccc(F)cc2)n1C	823855661	AQEMGRNMUGCHMU-UHFFFAOYSA-N	305.353	1.790	50	20	DDGD	
CNC(=O)/C(C#N)=C/c1ccccc1OCC(=O)N1CCCC1	490550209	PCOULCYCOIYSRJ-GXDHUFHOSA-N	313.357	1.341	50	20	DDGD	
CC(C)NC(=O)NN=C1CCCc2cc(-c3nn[nH]n3)ccc21	820136731	BBNDZVRIIWTMNP-UHFFFAOYSA-N	313.365	1.615	50	20	DDGD	
CCC[C@@]1(CO)CCCN1C(=O)/C(C#N)=C\c1cnn(C)c1	491086739	UZHWSFQCCXBLBM-VCHSTOLQSA-N	302.378	1.481	50	20	DDGD	
CCN(CCO)NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1	823833815	KDAULZHPEGMOBW-UHFFFAOYSA-N	321.421	1.059	50	20	DDGD	
CC1(C)[C@H]2CC[C@H](NC(=O)c3cc(B(O)O)ccc3F)[C@H]1C2	585004134	YQQYUHTWVJBVBW-BHYNMZESSA-N	305.158	1.060	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H]1CCCCN(C)C1=O	821721096	WZTUSRXOTFTEIG-LBPRGKRZSA-N	319.361	1.175	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1CCCc2ccccc21	825541787	NJOKIWGTFSRTPF-NJZAAPMLSA-N	317.389	1.819	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cnc2ccc(Cl)cn12	490637437	HHMPFBNGCLCMOH-UXBLZVDNSA-N	304.737	1.657	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1CCCCC1	826445005	CPKDSYOCECWAJU-UHFFFAOYSA-N	321.772	1.939	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)o1)[C@@H](C)Oc1ccccc1F	585029423	RFVMNDBPVCVTHP-WDEREUQCSA-N	307.130	1.044	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(C(=O)NNc2ccccc2)o1	732265522	JYTBPOCWBAXGIA-UHFFFAOYSA-N	309.347	1.287	50	20	DDGD	
CC(C)NC(=O)OC1CN(S(=O)(=O)CCCCCl)C1	495833008	BFZRQFSMXSLFPJ-UHFFFAOYSA-N	312.819	1.154	50	20	DDGD	
COc1cccc(C)c1NC(=O)NNC(=O)[C@@H]1CCCCO1	836566644	YHDJOYGUMBFFHS-LBPRGKRZSA-N	307.350	1.725	50	20	DDGD	
Cc1cc(C)c2c(c1)[C@@H](NCc1ccc(B(O)O)cc1)CCO2	585021533	WNVFMAUVNQDRPK-KRWDZBQOSA-N	311.190	1.597	50	20	DDGD	
CN(CCC1CCCCC1)C(=O)c1cc(B(O)O)ccc1F	584939660	WWNPGCZGVDHQRA-UHFFFAOYSA-N	307.174	1.548	50	20	DDGD	
CCCc1c(C(=O)NN=c2cc[nH]cc2)[nH]c(C)c1C(=O)O	833652635	DDTLPWRJXNPCIM-UHFFFAOYSA-N	302.334	1.548	50	20	DDGD	
CCCN(C)CC(=O)NNC(=O)CCc1ccc(OC)cc1	730279849	JGFYPBVBKPOLFN-UHFFFAOYSA-N	307.394	1.117	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)[C@H]2CCCCO2)CC1	833250925	NTTOZPZATSKCBF-CQSZACIVSA-N	302.374	1.743	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NC[C@@H]1C[C@H]1C(C)C	836620971	HXFDQGZWIJPKTL-KBPBESRZSA-N	319.405	1.860	50	20	DDGD	
CCN1C[C@H](NC(=O)NNc2cccc([N+](=O)[O-])c2C)CC1=O	838677619	WISNKODUDIHEFT-SNVBAGLBSA-N	321.337	1.150	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C#CC1CC1	837583989	MJBWTLQUAMFIOV-SNVBAGLBSA-N	306.749	1.668	50	20	DDGD	
CC(C)(C)OC(=O)[C@H](C(=O)NN=c1cc[nH]cc1)C(C)(C)C	831863737	WGXANJMCOQPWES-LBPRGKRZSA-N	307.394	1.951	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1)c1cnccn1	734745535	OEYOHNZHAPXIDS-RWMBFGLXSA-N	319.409	1.062	50	20	DDGD	
C[C@@H](CNCc1ccc(B(O)O)cc1)c1ccc(F)c(F)c1	585026163	CMSORVMHURBURV-NSHDSACASA-N	305.133	1.538	50	20	DDGD	
CCOCC(=O)NN=C(C)c1ccc(N2CCOCC2)cc1	731153991	OIWVRPPGXXMLNZ-UHFFFAOYSA-N	305.378	1.400	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNC(=O)CCCc2ccccc2)C1	838748624	KCTYQCCVKXVYPT-GASCZTMLSA-N	319.405	1.907	50	20	DDGD	
OB(O)c1ccc(CNc2cncc3c2CCCC3)c(F)c1	585046565	WNCWCKQAKIIFDQ-UHFFFAOYSA-N	300.142	1.391	50	20	DDGD	
CC(C)n1c(O)nc2ccc(C(=O)N3CC[C@@H](B(O)O)C3)cc21	585068192	YHUOGCJTFIBDMP-LLVKDONJSA-N	317.154	1.012	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](c2ccc(OC)cc2)C1	732199342	LIJVJUDKRSIYFF-TZMCWYRMSA-N	319.405	1.430	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccc(C)c(C(=O)O)c2)n1	901149894	QVQAPSBJBJYKEC-UHFFFAOYSA-N	314.345	1.657	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)cn1	732711676	RPTGKFAFUFLBCE-UHFFFAOYSA-N	324.348	1.204	50	20	DDGD	
Cc1ccc(C2=NO[C@@H](CNS(=O)(=O)CCl)C2)cc1C	831404864	XENJFPZCHVXYJI-GFCCVEGCSA-N	316.810	1.912	50	20	DDGD	
O=C(NNc1ccc(-n2cccn2)nn1)N[C@H]1CCC[C@@H]2C[C@H]12	838775962	HNQCWYSMTBPUFT-WOPDTQHZSA-N	313.365	1.477	50	20	DDGD	
CCOc1ccc(NNC(=O)NC[C@@H]2CCOC[C@@H]2OC)cc1	838661183	WOJMHZKKCQKGTI-WFASDCNBSA-N	323.393	1.763	50	20	DDGD	
CC(C)(O)[C@@H](O)C(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	912583439	WQUSLCGRLFIQEF-NEPJUHHUSA-N	317.502	1.741	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNc2cc(C)ncn2)nc1C	734253486	AQBOCPWNSYCFEA-UHFFFAOYSA-N	315.333	1.422	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1ccc(N2CCOCC2)cc1	735410431	DYZIIXBKOGJECN-UHFFFAOYSA-N	313.361	1.319	50	20	DDGD	
O=S(=O)(CCl)N1CCO[C@@H](COc2ccccc2)C1	831249400	RAVHXKBLTVTQSU-GFCCVEGCSA-N	305.783	1.292	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2C[C@]23CCOC3)c1F	837061603	OBWAMDGWAREETM-BONVTDFDSA-N	308.309	1.482	50	20	DDGD	
Cc1sc(Br)nc1C(=O)NN(C)C[C@@H](C)O	910152185	JJNVIJTVPNMRNM-RXMQYKEDSA-N	308.201	1.171	50	20	DDGD	
CC[C@](NS(=O)(=O)CCl)(C(=O)OC)c1ccccc1	830419474	VCTBLUZSIBMZBM-GFCCVEGCSA-N	305.783	1.581	50	20	DDGD	
CCN1C(=O)C(=NNC(=O)Cc2ccncc2)c2cc(C)ccc21	747645240	BFXJMOYRWSSNMA-UHFFFAOYSA-N	322.368	1.820	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(C)Cc2cscn2)c1	744391521	XPMYLVNAKIGTDA-UHFFFAOYSA-N	318.402	1.345	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)/C=C/c1ccc(Cl)s1	843641035	FEAQURCKVFUPKJ-SFQDRPESSA-N	314.794	1.987	50	20	DDGD	
CCO[C@H]1C[C@H](NC(=O)NNC(=O)CC(F)(F)F)C12CCC2	745852252	ANQNZXNAZPYIDS-IUCAKERBSA-N	323.315	1.617	50	20	DDGD	
COC[C@H](C)NC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	742710681	OABLJNBCWQXPSM-JTQLQIEISA-N	309.370	1.123	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)n1	843753745	KNOJLPFAAGYGMH-QWHCGFSZSA-N	306.410	1.720	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCC(C)CC1)c1cncnc1C	848401516	ALFFHNHDYHZXCG-CYBMUJFWSA-N	317.437	1.993	50	20	DDGD	
CC(Cc1ccccc1C)=NNC(=O)[C@H](C)CN1CCOCC1	743430467	IXYQDQUJZHQPRW-OAHLLOKOSA-N	317.433	1.998	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1c(C)nc(C(C)(C)C)nc1O	747367275	SSRGNGRSWRPEKA-UHFFFAOYSA-N	323.397	1.532	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)Cc1ccncc1)c1ccccc1	747575641	SWJBFBCJNWKULW-CYBMUJFWSA-N	312.373	1.758	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cnc(Oc2ccccc2)cn1	910156646	VGTPKJGRBFVMDK-NSHDSACASA-N	302.334	1.226	50	20	DDGD	
CC1(C)CC[C@@H]1NCC(=O)NNC(=O)c1ccccc1Cl	846961535	SPEQWVKGYAAPDT-LBPRGKRZSA-N	309.797	1.879	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CCOC1	741755485	FPYCDEMQLVEPSV-NSHDSACASA-N	307.306	1.502	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=S)N[C@@H](C)C2CC2)c(C)n1	912160004	JZJPYJDZKPHCGC-JTQLQIEISA-N	306.435	1.914	50	20	DDGD	
CC(=NNC(=O)c1ncccn1)c1cnn(C(C)(C)C)c1C	841664015	DRTYLHAYBJLMNK-UHFFFAOYSA-N	300.366	1.891	50	20	DDGD	
N#CCCSCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	840214517	WPUVELFYHUVUJW-UHFFFAOYSA-N	308.319	1.003	50	20	DDGD	
CCCCCCO[C@@H](C)C(=O)NNC(=O)N1CCOCC1	840299647	WXJKXVCORUFOCV-LBPRGKRZSA-N	301.387	1.045	50	20	DDGD	
CC(C)[C@H](N)CNC(=O)NNC(=O)c1cccc2ccccc12	841945122	XCGJBVJJPXSDLP-OAHLLOKOSA-N	314.389	1.767	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cc2c(s1)CCC2)[C@H]1CCOC1	743652108	KQOQFHZKZQDTRU-ONGXEEELSA-N	323.418	1.606	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)CC(F)(F)F)c1ccncc1	745836187	MKYXOMBOHREQGE-SECBINFHSA-N	304.272	1.816	50	20	DDGD	
N#C/C(=C\c1ccccc1OCC(=O)N1CCCC1)C(=O)O	915841224	AYFVTYOCSXKHJA-UKTHLTGXSA-N	300.314	1.679	50	20	DDGD	
COc1ccc(SCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	843649533	WKFQEVWDPFYIAH-GXFFZTMASA-N	324.402	1.360	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@H]1c1ccccc1)c1ncccn1	841352468	LQZLFMRQUIKFKS-KBPBESRZSA-N	310.357	1.822	50	20	DDGD	
Cc1cccc2c(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)coc12	843660602	LSRFAUOQKWDNIU-GHMZBOCLSA-N	302.330	1.927	50	20	DDGD	
CC(C)CC(CC(C)C)NC(=O)NNC(=O)c1ncccn1	841578450	MQUVCJMKAOXESH-UHFFFAOYSA-N	307.398	1.881	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1C	843640042	APTKTHBQHIYAOH-DZGCQCFKSA-N	320.389	1.645	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)NC[C@H]1CCC[C@@H]1C1CC1	840392311	HYOBCTQSROZGRL-TZMCWYRMSA-N	317.393	1.666	50	20	DDGD	
CN(C(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)[C@H]1CCNC1	846664798	CPBWFZGUBFDFMC-MRBYEJRBSA-N	301.228	1.760	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2	845459044	JAXDEDQHHSGXOA-FRRDWIJNSA-N	316.357	1.521	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H](C)Cc1ccc(F)cc1	843648641	RKGHJXNCDOVZLC-SUNKGSAMSA-N	308.353	1.577	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)C(=O)NNc1ccc(F)c([N+](=O)[O-])c1	842251889	SNEIGGIFKNZLPF-SECBINFHSA-N	321.312	1.789	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)NC[C@H](C)C(C)(C)C	748633364	LYXWSDPXCSSZJD-QWRGUYRKSA-N	303.403	1.051	50	20	DDGD	
COCCCNC(=O)NN=Cc1csc(-c2ccccn2)n1	920829671	JOIOWCXNZXXHLC-UHFFFAOYSA-N	319.390	1.875	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ccc(NC=O)cc2)n1	753463602	FXOVEDVTNIJUEO-UHFFFAOYSA-N	306.713	1.037	50	20	DDGD	
Cc1noc(C2CC2)c1C(=O)NNC(=S)N[C@@H](C)C1CC1	855098079	AVNCSQCIKGVCHZ-ZETCQYMHSA-N	308.407	1.768	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NNC(=O)C1CCCC1	753340208	RYQPDBOMTUYASX-UHFFFAOYSA-N	319.365	1.552	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2cccnc2Cl)[C@H]2CCCC[C@@H]2N1	854929656	GVBCYQNYVKUJRO-VWYCJHECSA-N	322.796	1.873	50	20	DDGD	
CCNC(=O)CN(CC)C(=O)NC[C@]1(C)C[C@H]1Br	856901159	SYVSYSHZOOCUIX-SKDRFNHKSA-N	320.231	1.328	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NC1CC(C)C1	753024272	UMEHVZHQDHALOJ-UHFFFAOYSA-N	301.350	1.385	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@@H](C)N(C)C2CC2)c1	858283541	LILIHEZLHORLAJ-SNVBAGLBSA-N	310.423	1.483	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCC1SCCS1	851917605	IUWNXZYTNZLLOI-UHFFFAOYSA-N	311.432	1.745	50	20	DDGD	
O=C(Cc1ccccc1O[C@@H]1CCOC1)NNc1ccncn1	857521519	KRARBIZTVURXIW-CYBMUJFWSA-N	314.345	1.330	50	20	DDGD	
C/C=C/C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	854331584	VGMTUGAXCMTGMC-OKPNEXGHSA-N	311.382	1.357	50	20	DDGD	
Cc1nc(CC(=O)NNC(=O)OCC(F)(F)F)c(C)s1	856022302	YAGUTDHCAYHCBH-UHFFFAOYSA-N	311.285	1.622	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H](C)Oc1cccc(C(C)=O)c1	854926400	YRRHWJHJKQUUHC-SNVBAGLBSA-N	309.391	1.124	50	20	DDGD	
N#CCc1ccc(C(=O)NNC(=O)Cc2ccc(F)cc2)cc1	758096057	PNEUAYWMBPNAAM-UHFFFAOYSA-N	311.316	1.895	50	20	DDGD	
CCc1ncsc1C(=O)NNc1nc(-c2cccnc2)no1	750312320	NJFVIPDMNRIXOL-UHFFFAOYSA-N	316.346	1.907	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2ccc(F)c(F)c2)[C@@H]1OC	922068416	ISZYLAGPGGCOLQ-UPJWGTAASA-N	315.320	1.783	50	20	DDGD	
O=C(COC[C@H]1CCCO1)NNc1ccc([N+](=O)[O-])cc1F	855620993	IVUVPDKZQJIMDL-SNVBAGLBSA-N	313.285	1.373	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)[C@H]1C	858122120	QGOSPXXPLACZQM-LFNDISMMSA-N	320.345	1.236	50	20	DDGD	
C[C@@]1(CNC(=O)C2CCS(=O)(=O)CC2)C[C@H]1Br	857399565	XDGOGLYMRORDHU-KOLCDFICSA-N	324.240	1.101	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C[C@@H]2CCC(=O)N2C)cc1	854215273	DXLOYNZUYHFZTI-ZDUSSCGKSA-N	303.362	1.021	50	20	DDGD	
CCCn1cc(C(=O)NC[C@@]2(C)C[C@H]2Br)nn1	857395913	VSTGSYDHVIGZFY-MWLCHTKSSA-N	301.188	1.591	50	20	DDGD	
CCNC(=O)NNC(=O)CCOc1ccc(F)c(Cl)c1	920858122	SESPOPODGRYQRJ-UHFFFAOYSA-N	303.721	1.598	50	20	DDGD	
C[C@@H]1c2c(F)cccc2CCN1C(=O)NNC(=O)c1cn[nH]c1	858703891	AKAZAGLMSJRILU-SECBINFHSA-N	317.324	1.523	50	20	DDGD	
Cc1n[nH]c(C)c1S(=O)(=O)NC[C@@]1(C)C[C@@H]1Br	856756420	OZHVBIWPYJGCKK-WCBMZHEXSA-N	322.228	1.478	50	20	DDGD	
CCOc1cccc(NC(=O)NNC(=O)c2ccccn2)c1	756094857	AQLYGPUNEUKRPF-UHFFFAOYSA-N	300.318	1.947	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)CCCOC(C)C	854283954	RCMWVVHPRPDBMW-UHFFFAOYSA-N	305.444	1.066	50	20	DDGD	
CC[C@H](C(=O)NNc1ccncn1)N(C)C(=O)OC(C)(C)C	854747744	SPKLVEJQBXDCLG-SNVBAGLBSA-N	309.370	1.565	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)NCC(F)(F)F)c(C)c1	935802776	OTUNZTCIKTYJJZ-UHFFFAOYSA-N	319.283	1.439	50	20	DDGD	
Cc1ccc(O)c(C=NNC(=O)CNC(=O)c2cccs2)c1	755678738	LSBXLAKRLMXHQX-UHFFFAOYSA-N	317.370	1.642	50	20	DDGD	
C[C@@H](C(=O)NNc1nc(O)c2ccccc2n1)C(F)(F)F	758295438	BBDHSDPVVYXZEU-LURJTMIESA-N	300.240	1.977	50	20	DDGD	
Cc1c(C=NNC(=O)Nc2ccc(C(=O)O)cc2)cnn1C	755748619	DMFLTPRRYKVFRJ-UHFFFAOYSA-N	301.306	1.582	50	20	DDGD	
O=C(CN1CCCNC1=O)OC[C@H](CBr)C1CC1	859499089	MRRVXGJPVWNLNC-JTQLQIEISA-N	319.199	1.366	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(CCC(=O)NC(N)=O)C1	852523207	XVUOGTZABBCDTH-NSHDSACASA-N	315.490	1.668	50	20	DDGD	
CCOC(=O)[C@H](CC(=O)NNc1ccc(C)c(F)c1)C(C)=O	856227576	FIVLYQGYOZLLSV-GFCCVEGCSA-N	310.325	1.736	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(Cl)c(N(C)C)c1	932742202	PWCFEFGGZUHWII-UHFFFAOYSA-N	300.746	1.205	50	20	DDGD	
CCC1(C(=O)OCC(=O)NNC(=O)c2ccc(C)cc2)CCC1	751752864	DINJBOCDADKZAQ-UHFFFAOYSA-N	318.373	1.880	50	20	DDGD	
CCCc1ccc(C(=O)NNC(=O)COCCOC)s1	869915175	JGDHYBYOXSJSJC-UHFFFAOYSA-N	300.380	1.125	50	20	DDGD	
O=C(c1csc(-c2ccc(O)cc2)n1)N1CC[C@H](B(O)O)C1	864231757	RSOWECVNFIZDLZ-JTQLQIEISA-N	318.163	1.205	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)OCC(=O)N1CCCC1	766751320	LCJPWKJEEJUOIL-JTQLQIEISA-N	306.200	1.962	50	20	DDGD	
O=C(NNc1cnccn1)c1c(C(F)F)nc2n1CCCC2	867492988	GAWHWJMOEFUIOX-UHFFFAOYSA-N	308.292	1.704	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@](C)(O)CC)o1	930650874	SEKTYZDNLMDHJU-OAHLLOKOSA-N	311.382	1.043	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2cc(Cl)cc(Cl)c2)N1	863144574	AEDMQKWSOATKSH-JTQLQIEISA-N	300.145	1.722	50	20	DDGD	
Cc1cc(C(F)(F)C(=O)NNC(=O)NC2CC2)cnc1Cl	930721166	WXEDQJCIPKGCFR-UHFFFAOYSA-N	318.711	1.628	50	20	DDGD	
COc1ccc(C(=O)CCCCC(=O)NN(C)C(N)=O)cc1	760011212	WZHKSLYDEKKDFZ-UHFFFAOYSA-N	307.350	1.480	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H](O)[C@@H](C)c2ccccc2F)n1	867286761	IAPIZTMCFXSQBZ-BONVTDFDSA-N	319.336	1.837	50	20	DDGD	
CC1CC(C#N)(C(=O)NNC(=O)c2ccc(Cl)cc2O)C1	767889613	AMKFHDNTDUWTAO-UHFFFAOYSA-N	307.737	1.746	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NC[C@@](C)(O)C(F)(F)F	867024760	HITYYHOHLMKYJB-MRVPVSSYSA-N	311.753	1.484	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NNc1cccc(F)c1Cl	862506509	AGAPNAQOEVSNNP-SNVBAGLBSA-N	315.776	1.891	50	20	DDGD	
CSCCNC(=S)NNC(=O)CCO[C@@H](C)CC(C)C	769764408	BNKUEQPJNJWJPC-NSHDSACASA-N	321.512	1.686	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1ccnn1CC1CCC1	867652273	AVFBGLJMYWTROA-UHFFFAOYSA-N	306.757	1.884	50	20	DDGD	
CCCCCc1ccc(NC(=O)C(=O)NNC(=O)CC)cc1	763443760	OYGIVCDVANEEQX-UHFFFAOYSA-N	305.378	1.915	50	20	DDGD	
Cc1csc(CCC(=O)NNc2ccnc(N(C)C)n2)n1	769990947	QNNDQJIWAYWBLU-UHFFFAOYSA-N	306.395	1.383	50	20	DDGD	
CC[C@@H]1C[C@H](C)CCC1=NNC(=O)[C@@H]1CCS(=O)(=O)C1	769570590	RFTHANTUKVEHBB-IJLUTSLNSA-N	300.424	1.740	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccnc2ccccc12	771908596	JVKBRVPGTIFFBD-SNVBAGLBSA-N	315.329	1.338	50	20	DDGD	
Cc1cccc(NNC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)n1	875471568	ABZWAEDCGHLPRI-NSHDSACASA-N	303.366	1.027	50	20	DDGD	
CN1CC[C@@H](C(=O)NNC(=O)c2nc3ccccc3s2)C1	874913705	IPHPHOUGCUQXQV-SECBINFHSA-N	304.375	1.009	50	20	DDGD	
CN(C)c1ccc(C=NNC(=O)CCO)c(C(F)(F)F)c1	1116887179	XNAHMLUXPIASEM-UHFFFAOYSA-N	303.284	1.604	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2CCC(=O)N2C)c(C)c1	873759174	JSLVSCFWMDOMBG-GFCCVEGCSA-N	320.418	1.242	50	20	DDGD	
C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)NNC(=O)C(C)(C)C	776878429	YNRPDGYLDBERAR-SECBINFHSA-N	300.403	1.008	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc(C(F)(F)F)s1	872399826	DKDVLBPNTTVSQN-UHFFFAOYSA-N	310.297	1.880	50	20	DDGD	
CC1=C(C)C(O)=C(C)/C(=C/NNC(=O)C[n+]2ccccc2)C1=O	1116914560	VRCKNBZHPWSCJQ-UHFFFAOYSA-O	314.365	1.230	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-]	771315734	BVICPIANZOGBNK-UHFFFAOYSA-N	312.330	1.185	50	20	DDGD	
CCN1C(=O)C[C@@H](C(=O)NNC(=O)OC)[C@@H]1c1cccc(C)c1	878000615	JXJYRIJVPMACQR-OCCSQVGLSA-N	319.361	1.292	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNC(=O)c1ccc(OCC)c(OC)c1	770748234	KGPROCDXDZIHKS-MRXNPFEDSA-N	324.377	1.406	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H](CN)C2CCCC2)cc1	1118031629	DMLAFGLIWVRFCF-AWEZNQCLSA-N	320.393	1.157	50	20	DDGD	
C#CCCCCCC(=O)NNC(=O)Cc1cn2ccccc2n1	779932256	YSMJATHCYJKZID-UHFFFAOYSA-N	312.373	1.608	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCC(C)(F)CC2)c1	879381571	GKPRUVXJBGFICK-UHFFFAOYSA-N	307.369	1.580	50	20	DDGD	
O=C(NN=C1CCCNc2ccccc21)[C@@H]1CCS(=O)(=O)C1	774364794	SASJWYFKDUJGOJ-LLVKDONJSA-N	321.402	1.147	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](C)N1CCc2ccccc2C1	770542298	HRRIBPIRJCBASY-LBPRGKRZSA-N	304.394	1.126	50	20	DDGD	
CNS(=O)(=O)C1CCN(C[C@H](C)CBr)CC1	770653274	OJFHCQPXQYHNPO-SECBINFHSA-N	313.261	1.031	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(C)cc(Cl)c1	772185488	XLZXETZDDYUQNQ-VIFPVBQESA-N	312.753	1.751	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1ccccc1C(F)(F)F	779820547	DTWBJBQFJWPRJT-UHFFFAOYSA-N	317.267	1.902	50	20	DDGD	
C[C@H](Cc1ccc(C#N)cc1)C(=O)NNC(=O)C1CCOCC1	883071899	QPQJCUKIWHNTER-GFCCVEGCSA-N	315.373	1.311	50	20	DDGD	
Cn1nc2c(c1NC(=O)NNc1cccc(F)n1)CCCC2	880621619	AVJRXCXNAWDVMJ-UHFFFAOYSA-N	304.329	1.982	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](CC)Nc1ccccc1	772116460	SIJLKFKHMYHREE-AAEUAGOBSA-N	321.377	1.366	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN(c2ccccc2)C1)C1CCOCC1	883070777	CVYSQXABOWUWDY-CQSZACIVSA-N	317.389	1.087	50	20	DDGD	
CC1(C)OC[C@@H](CNC(=O)NNc2ncnc3ccsc23)O1	783268778	RYNZZFBDSYPVJW-MRVPVSSYSA-N	323.378	1.469	50	20	DDGD	
Cc1cc(C=NNC(=O)c2cc([N+](=O)[O-])ccc2O)sn1	785457947	UZSIFRNYLHYMCT-UHFFFAOYSA-N	306.303	1.829	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1CC(c2cnn(C)c2)=NO1	1120648229	IYTZDQNSEHFOAD-VIFPVBQESA-N	305.165	1.175	50	20	DDGD	
Cc1ccccc1[C@@H](CO)NS(=O)(=O)CCCCCl	780804970	QEBPRLKGDHSJTI-CYBMUJFWSA-N	305.827	1.967	50	20	DDGD	
CC[C@@H](C)n1nc(C(=O)NNC(=O)C2CCOCC2)cc1C	883067340	DSXXBBIEXKEFMH-SNVBAGLBSA-N	308.382	1.350	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C	887140724	PTFBPLIJIAOYNF-GFCCVEGCSA-N	323.393	1.337	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)/C=C\c2ccc[nH]2)cc1	788632137	RMFWOLDYDOEOTN-TWGQIWQCSA-N	314.345	1.296	50	20	DDGD	
CCCCCOC1CN(S(=O)(=O)CBr)C1	782464478	SNINDEBSXUNZNS-UHFFFAOYSA-N	300.218	1.560	50	20	DDGD	
CC(C)(O)CCC(=O)NNC(=O)c1cc(-c2ccccc2)on1	786788431	RMMLNNRBQSZYCH-UHFFFAOYSA-N	317.345	1.654	50	20	DDGD	
COc1cccc(C[C@H](O)C(=O)NNc2nc(C)cc(C)n2)c1	785404655	VRIHDNUAECMPCI-AWEZNQCLSA-N	316.361	1.149	50	20	DDGD	
N#Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)CBr	785398263	GADHKWRNTAVBGC-LLVKDONJSA-N	315.192	1.817	50	20	DDGD	
CC(=NNC(=O)C(F)F)c1cccc(S(=O)(=O)N(C)C)c1	782234580	BFSIMSMIBDROAQ-UHFFFAOYSA-N	319.333	1.042	50	20	DDGD	
CC1(NC(=S)NNC(=O)c2ccc3ccccc3n2)CC1	789156611	CUIVLGIAOYZGEI-UHFFFAOYSA-N	300.387	1.896	50	20	DDGD	
C=C(CBr)COC(=O)[C@H](C)NC(=O)c1ccco1	795319608	LGYWJUYXSFKSPL-VIFPVBQESA-N	316.151	1.892	50	20	DDGD	
COc1cc(C)cnc1C(=O)NNC(=O)c1ccc(C)cc1O	792589117	FAJYQSMMMJEGEL-UHFFFAOYSA-N	315.329	1.487	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1[N+](=O)[O-])c1ncc[nH]1	790146555	ZTOZAVIJPIUBHT-UHFFFAOYSA-N	303.278	1.237	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc(C(F)(F)F)cc1	791023759	QKOLQWCSMHBYOK-UHFFFAOYSA-N	316.279	1.893	50	20	DDGD	
O=C(CCc1cncnc1)NNC(=O)c1cc2ccccc2o1	794375812	NQAWFYSBWCQNCC-UHFFFAOYSA-N	310.313	1.617	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=C1CCC[C@@H]1CCF	794889848	YJYXLBNPKJUAKL-MRVPVSSYSA-N	312.370	1.645	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccnn1C(C)(C)C	792388295	CRELSIVOVQNEKL-UHFFFAOYSA-N	305.342	1.136	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc(F)c(F)cc2F)n1	794076245	OMIAKFUTGIJEOB-UHFFFAOYSA-N	309.247	1.882	50	20	DDGD	
CSc1ccc(NC(=O)NNC(=O)c2cccc(C)n2)nc1	797643697	BQFBZIBHRXUEMH-UHFFFAOYSA-N	317.374	1.973	50	20	DDGD	
Cc1cnccc1CC(=O)NNC(=O)COc1ccc(F)cc1	798307458	VWORLSYIGJAEAV-UHFFFAOYSA-N	317.320	1.298	50	20	DDGD	
C=C(CBr)COC(=O)[C@@H](CC)N1CCCC1=O	795536683	YEJWOWCHEIZOAN-SNVBAGLBSA-N	304.184	1.882	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=Cc1cccc2c1OCCCO2	1319136626	SREQKSMHRXMVJB-UHFFFAOYSA-O	312.349	1.286	50	20	DDGD	
O=C(CO[C@@H]1CCOC1)NNc1cccc(C(F)(F)F)n1	1319358909	AEHQVTYMEDTFNN-MRVPVSSYSA-N	305.256	1.349	50	20	DDGD	
N#CCSCC(=O)NNc1cncc(Br)c1	1319631939	XASHGZDIBXHKKA-UHFFFAOYSA-N	301.169	1.544	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNC(=S)NC(C)C)cc1	1322617259	GZLZLYNLSXLOJU-UHFFFAOYSA-N	309.435	1.877	50	20	DDGD	
CCCN(NC(=O)CO[C@H]1CCOC1)C(=O)OC(C)(C)C	1328591669	VLXGQCJDXGBABL-NSHDSACASA-N	302.371	1.470	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)c2cncn2-c2ccccc2)[nH]1	1322338702	LCLPLOXIEFVFIG-UHFFFAOYSA-N	323.312	1.663	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H](C)[C@H]2CCC(=O)N2)c1	1332406565	CZXDUIZFPFADPW-CMPLNLGQSA-N	320.418	1.227	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSc1cccc(F)c1C#N	1333287554	BOGYZPZUBRTAAG-UHFFFAOYSA-N	309.366	1.983	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2c(C)nn(CCO)c2C)cc1O	1330890832	AUPLHKYIOJHDPR-UHFFFAOYSA-N	316.361	1.270	50	20	DDGD	
Cc1ncc([C@H](C)NC(=O)/C(C#N)=C/c2cnn(C)c2)s1	1330631834	PTTVXFJACWGDSK-JIGMTCFASA-N	301.375	1.969	50	20	DDGD	
C=CCCSCCNC(=O)NNC(=O)c1ccc(OC)cc1	1330621875	LZVTVEJCXCUULY-UHFFFAOYSA-N	323.418	1.949	50	20	DDGD	
CCCNC(=O)[C@H](C)NC(=O)[C@H](Br)C(C)(C)C	1336706859	YNAGZANRZQUKNM-IUCAKERBSA-N	307.232	1.827	50	20	DDGD	
CCc1cccc(C)c1NC(=O)NNC(=O)C1CCNCC1	1331405736	VSAMDRJYCFJAAT-UHFFFAOYSA-N	304.394	1.710	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@H](CCN)C2)C[C@H]1Br	1346513304	MYYJXBRMBYXVMA-HOSYDEDBSA-N	304.232	1.540	50	20	DDGD	
C[C@H]1C(=O)NCCCN1C(=O)NC[C@]1(C)C[C@@H]1Br	1341972579	FQAHJLJTMLQSTI-AUTRQRHGSA-N	318.215	1.080	50	20	DDGD	
C[C@@]1(C(=O)N2CCc3ncnc(O)c3C2)C[C@@H]1Br	1350718214	WJCIVKJCWWWSNL-JOYOIKCWSA-N	312.167	1.240	50	20	DDGD	
NC1(CNC(=O)NNc2ccc(F)c(C(=O)O)c2)CCCCC1	1601176217	KKJAEOUIBLXVQX-UHFFFAOYSA-N	324.356	1.812	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)CCCC(=O)C2CC2)cc1	1602127140	GZHARWCWDCSRMV-UHFFFAOYSA-N	304.346	1.906	50	20	DDGD	
O=C(O)/C=C\c1ccc(C(=O)NNc2ncc(Cl)cn2)o1	1601876658	INMIYFZFDOTBMB-RQOWECAXSA-N	308.681	1.578	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2snnc2C2CC2)cc1	1602128249	GBTCDVWICZWEOH-UHFFFAOYSA-N	318.358	1.800	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=CCC(C)(C)C(=O)O)cc1C	1600441885	SINMQFMBYMALCX-UHFFFAOYSA-N	319.361	1.845	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccccc2C(=O)O)cc1	1600463448	ZAKOCMIQOLZQGV-UHFFFAOYSA-N	313.313	1.775	50	20	DDGD	
CC1(C)OC[C@H]2C[C@@]21C(=O)NNc1cccc(F)c1C(=O)O	1604561026	XWYQIBCJJXLEOS-GLEZIHRCSA-N	308.309	1.782	50	20	DDGD	
NC(=O)c1cccc(NC(=O)NNc2cccc(C(=O)O)c2)c1	1608246638	UPKMDOBUSZFMFE-UHFFFAOYSA-N	314.301	1.632	50	20	DDGD	
CN(C(=O)/C(C#N)=C\c1cnn(C)c1)C1(C(=O)O)CCCCC1	1605950011	LIIMDYFJJVTPDX-JYRVWZFOSA-N	316.361	1.573	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)Nc1cccc(C(=O)O)c1	1601562053	PPLQWAROVXBOIE-UHFFFAOYSA-N	307.697	1.977	50	20	DDGD	
COC(C)(C)CC=NNC(=O)c1cccc(-c2nn[nH]n2)c1	1604996157	UDPAYOSXTXWKKE-UHFFFAOYSA-N	302.338	1.397	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)C(=O)Nc1cccc(F)c1	1610700106	LEEFALOREBQRSC-UHFFFAOYSA-N	317.276	1.606	50	20	DDGD	
COC1(C=NNC(=O)[C@H]2CCCO[C@H]2c2nccn2C)CCC1	1549309351	HWUGFJUDAVSBPC-QWHCGFSZSA-N	320.393	1.559	50	20	DDGD	
C/C=C/C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](Cl)COC	1802284653	NDPYOBBKWNRCFR-DDSNJXNFSA-N	314.813	1.455	50	20	DDGD	
CN(NC(=O)c1ccc2c(c1)OCCNC2)C(=O)OC(C)(C)C	1578506555	RJPYZHTYSNJNNB-UHFFFAOYSA-N	321.377	1.680	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@@H]1Cc2ccc(O)cc2N1)C1CC1	1576233123	FVWWAQUHVLXONN-OQPBUACISA-N	320.418	1.023	50	20	DDGD	
CC(C)(N)CC(=O)NNC(=O)c1cccc(OC(F)F)c1	1573483893	YZQDFQKUTPRPRN-UHFFFAOYSA-N	301.293	1.176	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@H]1C[C@]12CCNC2	1574302162	BGHKZJJAYXSZPA-DOMZBBRYSA-N	307.781	1.030	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)[C@@H]1[C@H]2CCNC[C@H]21	1580713236	XAGHKLCUCCOCQK-YNEHKIRRSA-N	322.796	1.026	50	20	DDGD	
C#CCCCC(=O)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846389156	JFIVYBIVBXNLFS-UHFFFAOYSA-N	317.216	1.797	50	20	DDGD	
COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)CC2CC2)C1	1842771092	VCAKMTNMFRAILB-LBPRGKRZSA-N	314.813	1.244	50	20	DDGD	
O=C(/C=C/[C@H]1CCCNC1)NNC(=O)c1cccc(Cl)c1	1580494765	VLYHKANMWJXONO-XUIVZRPNSA-N	307.781	1.657	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cc(Cl)c(F)c(C(=O)O)c1	1598875814	MUJVQASQUZKGFG-UHFFFAOYSA-N	319.676	1.912	50	20	DDGD	
CC(C)OCCCNC(=O)/C(C#N)=C\c1ccoc1C(=O)O	1591722608	CGHMGYMYVIWXPM-WQLSENKSSA-N	306.318	1.816	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@](C)(C(=O)O)c1ccccc1	1591765244	QSQBONOUQMDCFB-TYZQSYOASA-N	302.330	1.589	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@H](CC(F)F)C(=O)O	1590701102	DUOAYCOVVFFHSF-ZCFIWIBFSA-N	307.746	1.279	50	20	DDGD	
CN(CC(=O)O)C(=O)[C@@]1(c2ccccc2)C[C@H]1Br	1598403934	YLFYNNAESLSJJN-ZWNOBZJWSA-N	312.163	1.635	50	20	DDGD	
COc1c(C(=O)NNc2cccc(C(=O)O)c2)c(C)nn1C	1599328073	HGHOLZGTXDFSDT-UHFFFAOYSA-N	304.306	1.192	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ocnc1C1CC1	1593165661	YQPMEPGWXAGWRG-UHFFFAOYSA-N	311.305	1.489	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)c1ccc(-c2nn[nH]n2)s1	1593163668	CFOWLDIRTRQCNG-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
Cc1c(NC(=O)NN=c2cc[nH]cc2)cccc1-c1nn[nH]n1	1591827824	ZSTSEVUFMCQVNJ-UHFFFAOYSA-N	310.321	1.141	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1	1590797228	MMZUSLFFANXZDB-AVMBBCFPSA-N	312.333	1.488	50	20	DDGD	
CO[C@H]1C[C@H](CNC(=O)NNc2ccc(C(=O)O)c(F)c2)C1	1599326613	MHANXAWQVJSSNU-CZMCAQCFSA-N	311.313	1.575	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NN=Cc1c(F)cc(C(=O)O)cc1F	1776102709	WKZGTGAGCFLYTC-UFBFGSQYSA-N	312.272	1.538	50	20	DDGD	
CO/C=C(\C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Cl)C2	1798301227	NPUNYWMRDDZIEX-IDLRSZLASA-N	318.776	1.709	50	20	DDGD	
O=C(COc1ccc(Cl)cc1)NNC(=O)c1ccccc1O	5171978	DJLBHUMHQBOFRR-UHFFFAOYSA-N	320.732	1.886	50	20	DDGD	
Cc1ccc2c(c1)C(=O)N(CC(=O)NN(C)c1ccccc1)C2=O	15133893	YCTNKKYXILCHSR-UHFFFAOYSA-N	323.352	1.759	50	20	DDGD	
Cc1cc(=O)oc2cc(OCC(=O)NNC(=O)C3CC3)ccc12	15794502	PVWUIAZMBBESLO-UHFFFAOYSA-N	316.313	1.038	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(-c2ccccc2)[nH]n1	16187236	VMNNZXOIBQVPPL-UHFFFAOYSA-N	301.375	1.372	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)c2cccc(F)n2)cc1	160892247	GHZMDHCXLGNKBV-UHFFFAOYSA-N	303.293	1.694	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)NC(C)C)cc1	3529081	IMEHLOHZKFHZHF-MDWZMJQESA-N	302.330	1.670	50	20	DDGD	
O=C(/C=C/C1CCCCC1)NNC(=O)C(=O)Nc1ccccn1	151791940	MQHAQUQKTDUAOF-MDZDMXLPSA-N	316.361	1.304	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC(C)(C)c2ccccc2)[nH]n1	152983983	GOGJKVLYZCHDOH-UHFFFAOYSA-N	300.362	1.847	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)Cn2nnc3ccccc3c2=O)c1	153044034	XWSORUYHJMOWRW-UHFFFAOYSA-N	323.356	1.552	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccncc2F)cc1	155603905	BVEOUPNKFFMGBF-UHFFFAOYSA-N	302.309	1.402	50	20	DDGD	
COc1cccc([C@@H](O)C(=O)NNC(=O)c2ccccc2)c1	154178574	LIJDIDAYLLQQLS-CQSZACIVSA-N	300.314	1.190	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccc([N+](=O)[O-])cc1F	103423169	WFPPCDFODKNVGN-UHFFFAOYSA-N	318.264	1.133	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-]	53576369	VADMWUZKWQAMBW-UHFFFAOYSA-N	313.266	1.003	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2ncnc3ccsc23)CC1	178552168	DGJLQIJBVVHYKA-UHFFFAOYSA-N	306.347	1.478	50	20	DDGD	
C=C(Br)CNC(=O)NNC(=O)c1ccc(C)o1	177280390	WJEZJTUIBCJSEQ-UHFFFAOYSA-N	302.128	1.441	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC2CC2)c(C)n1CC(F)(F)F	64900754	MQXMBPBMJBQDPL-UHFFFAOYSA-N	318.299	1.774	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)[C@@H](CC)c2ccccc2)[nH]n1	110964490	RBDJQBKNYUKDOS-ZDUSSCGKSA-N	300.362	1.927	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)o1	173593681	YDALYZACFBSZGE-UHFFFAOYSA-N	304.262	1.274	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2c(O)cccc2F)c1	118970519	OYRSCKXSOIXZED-UHFFFAOYSA-N	324.333	1.692	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(C)o2)cc1[N+](=O)[O-]	175830737	AEEGJAOFWUYWLH-UHFFFAOYSA-N	319.273	1.580	50	20	DDGD	
C[C@H]1SCCN(C(=O)NNC(=O)c2cccc(C#N)c2)[C@@H]1C	118480303	NGSAOSMTMOKYFB-GHMZBOCLSA-N	318.402	1.738	50	20	DDGD	
CC/C=C(/C)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12	61342727	DCCAHHHSAPVCPR-YFHOEESVSA-N	314.345	1.051	50	20	DDGD	
C=CCNC(=S)NNC(=O)CSCc1ccc(C#N)cc1	119940615	SZEMRXGNLXQEPQ-UHFFFAOYSA-N	320.443	1.473	50	20	DDGD	
O=C(Cn1cc(C2CC2)nn1)NNC(=O)c1cccc(Cl)c1	177692499	YBTKDEYOYWUEAT-UHFFFAOYSA-N	319.752	1.270	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNC(=O)NCC2CC2)ccc1C	65191957	WFLUPAJKEHSPCV-UHFFFAOYSA-N	304.350	1.307	50	20	DDGD	
CCNc1ncc(C(=O)NNC(=O)c2ccc(C)cc2O)s1	126893774	BNXFHVRRHYKALJ-UHFFFAOYSA-N	320.374	1.664	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)o1	127448043	BBBLMSMYXOQHTB-GXSJLCMTSA-N	306.366	1.157	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNC(=O)c1c[nH]c2ccccc12	78869748	RMYRMJAMQZPDDU-UHFFFAOYSA-N	311.345	1.593	50	20	DDGD	
CCOc1ccc(OCC(=O)NNc2ncc(F)cn2)cc1	122527479	JCICZOGYUIWILE-UHFFFAOYSA-N	306.297	1.537	50	20	DDGD	
CCc1ncsc1C(=O)NNC(=O)COc1ccc(C)cc1	128130983	WEFQOQBUHQZRKQ-UHFFFAOYSA-N	319.386	1.854	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2ccncc2C)cc1	183446120	VYSDNVRFZDIPRY-UHFFFAOYSA-N	314.345	1.930	50	20	DDGD	
COc1cc(-c2ccccc2)sc1C(=O)NNC(=O)CO	180951314	DVXHETSPACQXBF-UHFFFAOYSA-N	306.343	1.177	50	20	DDGD	
COC1(CNC(=O)NNC(=O)CCCc2ccccc2)CCC1	181178309	WAPFOQRHEXTDML-UHFFFAOYSA-N	319.405	1.909	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNC(=O)C(C)(C)C)C1CCCCC1	79264029	YQEMEGZMOKEUMZ-ZDUSSCGKSA-N	312.458	1.873	50	20	DDGD	
O=C(Cc1ccc(Br)cc1)NNc1cccnn1	77029259	XIKGEMKKQPYUKN-UHFFFAOYSA-N	307.151	1.925	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccccc1Cl)C[C@H](C)C#N	72580265	WFCGKBDFPFAJKU-LLVKDONJSA-N	322.796	1.583	50	20	DDGD	
O=C(NNc1nc(Br)cn2ccnc12)C1CC=CC1	78244317	LFGJGUDKSSQFAI-UHFFFAOYSA-N	322.166	1.901	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccncc1Cl	75083358	UURLRPIVQSROCA-UHFFFAOYSA-N	319.748	1.747	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cc(OCC(F)F)ccn1	182712798	SRUKWBPTFVYYHK-UHFFFAOYSA-N	315.320	1.923	50	20	DDGD	
COc1ccc(CCNC(=O)NNc2nc(C)cc(C)n2)cc1	42927775	PZBCSJGNTOTIRF-UHFFFAOYSA-N	315.377	1.971	50	20	DDGD	
C=C[C@](C)(CC)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	134857090	NNHLXIOWJHPBIY-XJKSGUPXSA-N	304.346	1.576	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C(=O)Nc2cccc(C)n2)c1	194349871	LLWWFXWBXIGPGC-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)c3c[nH]nn3)cc2C1	80233748	KDEVVUXJACYZJE-ZETCQYMHSA-N	305.363	1.066	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)C1CCN(C2CC2)CC1	194862033	ZZMOQFLXSNVAQL-UHFFFAOYSA-N	311.389	1.947	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H](C)OCc1cccc(OC)c1	143287643	LKORNPCPJWUVFV-LLVKDONJSA-N	323.418	1.282	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)[C@@H]1CCCCC(=O)N1	194013689	UKSZGBHKBPSPFO-AWEZNQCLSA-N	317.389	1.216	50	20	DDGD	
COC(=O)c1ccc(/C=C(/C#N)C(=O)NCCCOC(C)C)o1	255368329	OJAVPLKAQWHWKN-XFXZXTDPSA-N	320.345	1.904	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)NC2CC(C)C2)c1	268051294	QLXWGYQWFSSVLW-UHFFFAOYSA-N	305.378	1.811	50	20	DDGD	
CN(C)C/C=C/C(=O)NNC(=O)NCc1ccc(Cl)cc1	276185854	LSAUOWJPDJJSNW-ONEGZZNKSA-N	310.785	1.288	50	20	DDGD	
COC(=O)CCCC(=O)NNC(=O)c1ccc(Cl)cc1O	274125724	UJGSUXQQQDHILT-UHFFFAOYSA-N	314.725	1.150	50	20	DDGD	
Cc1nc(-c2cccc(NC(=O)NNC(=O)C3CCC3)c2)n[nH]1	272871585	UTHWCVZUCRTSLS-UHFFFAOYSA-N	314.349	1.733	50	20	DDGD	
CCOC1CC(CCNC(=O)NNC(=O)c2ccccc2O)C1	276991998	VYWUGDGXDLAHLE-UHFFFAOYSA-N	321.377	1.541	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc(Cn2cncn2)c1	273483220	LUFGXOSHOVSMQG-NSHDSACASA-N	316.365	1.525	50	20	DDGD	
CCOC(=O)C[C@@H](C)CNC(=O)NNc1ccc(Cl)nn1	270445552	LOLHKRUWJPXMIU-MRVPVSSYSA-N	315.761	1.345	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(C)nc(C(F)(F)F)n1	275324335	LOBUQIUJKQYRES-UHFFFAOYSA-N	305.260	1.110	50	20	DDGD	
COCCOc1ccc(NC(=O)NNc2ncccc2C)cn1	277229099	IZMXLHASOSKIBD-UHFFFAOYSA-N	317.349	1.959	50	20	DDGD	
CCc1cnc(NC(=O)C(=O)NCCSSC)s1	285211232	MAKFVJJSXKUUFW-UHFFFAOYSA-N	305.450	1.771	50	20	DDGD	
CC[C@@H](C(=O)NNc1nccnc1C1CCC1)N1CCCC1=O	287341839	YVWCBZKXXCYGHB-LBPRGKRZSA-N	317.393	1.588	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H]2CCOc3ccccc32)O1	294017162	WIKUGMKERQIWRA-JKOKRWQUSA-N	304.346	1.268	50	20	DDGD	
CCOc1ccc(NNC(=O)CCN2C(=O)CCC2=O)cc1	294256113	HKVAJQDZRXOTES-UHFFFAOYSA-N	305.334	1.068	50	20	DDGD	
O=C1COc2ccc(C(=O)NNc3ncccc3F)cc2N1	804217367	XCJLWMONMPWCKB-UHFFFAOYSA-N	302.265	1.309	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2cccc[n+]2[O-])c(Cl)c1	802051351	XOOJBZFLSPUASW-UHFFFAOYSA-N	320.736	1.748	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cnn(-c2ccncc2)c1	295029396	IGFNWLYUXXOOGN-UHFFFAOYSA-N	301.350	1.465	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1	290960593	ROTPMYYVTIPVKV-SNVBAGLBSA-N	311.769	1.896	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)c2ccc3c(c2)CCC=C3)nn1	807046496	ZMJCZLNWVKLJDK-UHFFFAOYSA-N	309.329	1.292	50	20	DDGD	
O=C(NNc1ncncc1Cl)Nc1cccc2c1CNC2=O	806753609	UYVZSOSZFGUGQE-UHFFFAOYSA-N	318.724	1.522	50	20	DDGD	
C[C@H](CBr)COC(=O)C(=O)N1CCC[C@H](C)C1	805562027	MHYWKXJYOFDLGQ-VHSXEESVSA-N	306.200	1.819	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1sccc1-n1cnnn1	808248004	ZUQOPDJTBGGDDK-UHFFFAOYSA-N	306.178	1.600	50	20	DDGD	
CO[C@H]1CCC[C@H](CC(=O)NNC(=O)N=c2cc[nH]cc2)C1	802035430	CTODHSCPMYYRLX-AAEUAGOBSA-N	306.366	1.252	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)c2ccc(C)cc2O)nc1	806527698	NNBXMRGUPMYCMA-UHFFFAOYSA-N	315.329	1.108	50	20	DDGD	
O=C(NNC(=O)c1c[nH]nc1[N+](=O)[O-])c1cc2ccccc2o1	801628004	JIXGJYIYIVAPTD-UHFFFAOYSA-N	315.245	1.139	50	20	DDGD	
CN(C[C@@H](O)Cc1ccccc1)S(=O)(=O)CCCCCl	293074986	UNSOGMBBEQZSOD-AWEZNQCLSA-N	319.854	1.871	50	20	DDGD	
CCN([C@H]1CCOC(C)(C)C1)S(=O)(=O)CBr	809860424	OELHZBZCKIMOOU-VIFPVBQESA-N	314.245	1.948	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2cccc(F)n2)cn1C1CC1	804774853	VCDICHZGEXVWQL-UHFFFAOYSA-N	302.309	1.783	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@H]1CSc2ccccc21	802036053	OKIBANKDEBVETC-LBPRGKRZSA-N	314.370	1.546	50	20	DDGD	
CO[C@](C)(C=NNC(=O)Cc1cn2ccccc2n1)C1CC1	814864093	OWFQWXQGLOCRMT-MRXNPFEDSA-N	300.362	1.794	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)COc1cc(C)cc(C)c1	812533251	DMCLCIWVEUASPD-UONOGXRCSA-N	322.405	1.748	50	20	DDGD	
C=C(CBr)COC(=O)C1(COC)CCOCC1	811433241	RHBIVGNCLRYCRI-UHFFFAOYSA-N	307.184	1.924	50	20	DDGD	
CC(=NNC(=O)Nc1ccc2c(c1)OCO2)c1ccnn1C	814992254	CBXZRLAQSRDUBN-UHFFFAOYSA-N	301.306	1.695	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1O)c1ccc(N)nc1	814951140	ORFOACZJDZDELM-UHFFFAOYSA-N	300.318	1.289	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)c1cccc(OC)c1O	812479741	PXWCBNBBUVUFRK-UWVGGRQHSA-N	310.350	1.080	50	20	DDGD	
O=C(Cc1cnccc1Cl)NNc1ncnc2[nH]cnc12	816929455	IRHOAVUDCWCDAG-UHFFFAOYSA-N	303.713	1.087	50	20	DDGD	
O=C(CCc1ncc(-c2ccccc2F)o1)NNc1nc[nH]n1	816631799	FWCDEWIVOKNVIJ-UHFFFAOYSA-N	316.296	1.675	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)c2c(C)nc3ccccn23)nc1	728858187	ICGCDXHDPWZMML-UHFFFAOYSA-N	319.324	1.094	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)OC)cnn1-c1cccc(F)c1	496842183	YONVXWUAHLLENW-UHFFFAOYSA-N	320.324	1.965	50	20	DDGD	
CC(C)C[C@H](NC(=O)O)C(=O)NNc1ncnc2ccsc12	824210779	JCBYUQTZKWCVRA-VIFPVBQESA-N	323.378	1.817	50	20	DDGD	
O=C(/C=C\c1cncc(F)c1)NNC(=O)NCC(F)(F)F	492364569	JIRCQBOBFYZVEL-UPHRSURJSA-N	306.219	1.127	50	20	DDGD	
C[C@@H](CC(=O)O)C(=O)NNC(=O)c1cccc(OC(F)F)c1	827303933	LTRGODMRLXILPM-ZETCQYMHSA-N	316.260	1.160	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@H]2CCC[C@@H](OC)C2)n1	826971442	XVFLUKPFMMMLDU-QWHCGFSZSA-N	321.425	1.971	50	20	DDGD	
C[C@@H]1SCC[C@@H]1NC(=O)NNC(=O)c1cccc(C#N)c1	825895567	OUKXEJPWAWBDSI-CABZTGNLSA-N	304.375	1.396	50	20	DDGD	
O=C(Cc1ccccc1O[C@@H]1CCOC1)NNC(=O)C1CCC1	825797482	XRTZESWFSKOZIE-CQSZACIVSA-N	318.373	1.344	50	20	DDGD	
CN1CC[C@@]2(CCN(C(=O)/C(C#N)=C/c3ccc(O)cc3)C2)C1	490944730	XQLQDHQISKXANT-SPQRHKFCSA-N	311.385	1.853	50	20	DDGD	
Cc1cnc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c(C)c1	826317374	ALJUMANOGLLBKV-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C1CCOC[C@@H]1C	495993469	QIQQGARECUBNQQ-AAEUAGOBSA-N	323.393	1.432	50	20	DDGD	
CCCCCc1cc(C(=O)Nc2cccc(B(O)O)c2)n[nH]1	584913056	ZBPMLVOQXKEXLJ-UHFFFAOYSA-N	301.155	1.075	50	20	DDGD	
CC(C)C(=O)NNC(=O)CSCc1ccc2c(c1)OCO2	829539350	SMWZDXGCFPTATO-UHFFFAOYSA-N	310.375	1.452	50	20	DDGD	
CN(NC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F)C1CC1	497098789	MLWKOMYSCSDUHL-SECBINFHSA-N	309.288	1.275	50	20	DDGD	
CC(C)[C@H]1C[C@@H](C(=O)NNC(=S)NCC2CCC2)CCO1	824437667	XYTIEKVUJXDDRE-QWHCGFSZSA-N	313.467	1.733	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1sccc1Br	727648204	XZDCMLABZWQZLG-UHFFFAOYSA-N	304.213	1.912	50	20	DDGD	
N#Cc1ccccc1C=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	826386968	ABCYZCRSXOISBY-UHFFFAOYSA-N	317.312	1.502	50	20	DDGD	
CC1(C)CN(C(=O)c2cc(B(O)O)ccc2F)[C@H]2CCC[C@@H]21	584994556	KQPKQRRQNMCLPX-JSGCOSHPSA-N	305.158	1.156	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(-c2nn[nH]n2)cc1Cl	821314288	JQUGAYOPJBHIBN-VQHVLOKHSA-N	318.724	1.903	50	20	DDGD	
CCC(=NNC(=O)CNC(=O)OC(C)(C)C)c1ccn(C)n1	495308576	XBJUJBCXLNHLAK-UHFFFAOYSA-N	309.370	1.175	50	20	DDGD	
Cc1ccc(C=NNC(=O)CNC(=O)c2ccco2)cc1F	731486958	HHTQPQVDOSWHBE-UHFFFAOYSA-N	303.293	1.607	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2cc(C(=O)O)ccc2O)c(O)c1	738513249	BGBYHDNVFTWMPX-UHFFFAOYSA-N	314.297	1.868	50	20	DDGD	
COC(OC)C(=O)NNc1ccc(OCC(F)(F)F)cc1	821164114	WAOSADPKVGBQJE-UHFFFAOYSA-N	308.256	1.690	50	20	DDGD	
CCOC(=O)NNC(=O)CN(CC)Cc1ccccc1Cl	495599100	WWSMOQYCUUFSTG-UHFFFAOYSA-N	313.785	1.939	50	20	DDGD	
CCOC(=O)N1CC[C@H](NC(=O)[C@@]2(C)C[C@@H]2Br)C1	907446993	PYTRIFZASCPHRB-AUTRQRHGSA-N	319.199	1.507	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1ccc(F)cc1OC	496994291	GCAXOEQGNSCYBX-UHFFFAOYSA-N	313.329	1.756	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCOC3(CCCCC3)C2)c(F)c1	585030995	NYXQALPTSVQBDZ-HNNXBMFYSA-N	321.201	1.477	50	20	DDGD	
COC(=O)[C@]1(C)CCCN1C(=O)/C(C#N)=C/c1ccc(O)cc1	588609922	CHCKTMNVAPCEJM-RTGRKSDTSA-N	314.341	1.853	50	20	DDGD	
CS[C@H]1CCCC(=NNC(=O)[C@H](C)CN2CCOCC2)C1	901155047	JIXBJHIFOKDECL-OCCSQVGLSA-N	313.467	1.733	50	20	DDGD	
CC[C@@](C)(NC(=O)c1cc(B(O)O)ccc1F)c1nccs1	584952906	ZBGZMRSCUSOMSY-CQSZACIVSA-N	322.170	1.017	50	20	DDGD	
C#CCCCC(=O)NN=Cc1ccc(O[C@H](C)C(=O)OC)cc1	901323976	CUZWIELVTQLICX-CYBMUJFWSA-N	316.357	1.881	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@H]2CCOC(C)(C)C2)n1	836676191	IZYGETAZCDVBST-NSHDSACASA-N	308.382	1.922	50	20	DDGD	
COc1ccc(CNS(=O)(=O)CCl)c(OC)c1OC	830074761	WWPUUZSOGLHTQT-UHFFFAOYSA-N	309.771	1.328	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21	905201048	XWFDRYNERXIXPV-DDTOSNHZSA-N	306.749	1.255	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)C2CCC2)cc1[N+](=O)[O-]	732140923	FOJJFMJNVKMMNA-UHFFFAOYSA-N	307.306	1.093	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)COC(=O)[C@@H]2C[C@H]2C)cc1C	736744181	XGCDXSZQFYHTSV-PSASIEDQSA-N	324.402	1.579	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)c1c(C)nc2ccccn12	739684171	LMBBAPXAZQSIBC-UHFFFAOYSA-N	313.317	1.268	50	20	DDGD	
O=C(C1c2ccccc2Oc2ccccc21)N1CC[C@H](B(O)O)C1	585067367	WFDLQMBSZBNRMA-LBPRGKRZSA-N	323.157	2.000	50	20	DDGD	
C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1cc(B(O)O)ccc1F	584961362	QXHMEVKMKXUXPP-QMTHXVAHSA-N	307.174	1.450	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H](C)S(C)(=O)=O)c(Cl)c1	838527684	UMSXBOXLLWXZNG-VIFPVBQESA-N	319.814	1.708	50	20	DDGD	
O=C(NCB(O)O)c1cccc2c(Br)cccc12	585066980	ORPBJGMYEKRVAI-UHFFFAOYSA-N	307.940	1.344	50	20	DDGD	
CCC[C@H](NCc1ccc(B(O)O)cc1F)c1ccccn1	585021051	FMCVVYYNOGMJCW-HNNXBMFYSA-N	302.158	1.532	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C1CC2(CCC2)C1	830625676	IGAAFKCQKGCUQA-NSHDSACASA-N	310.394	1.692	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)c2c[nH]nc2C)s1	731852216	MKLKZLHYSNKANF-UHFFFAOYSA-N	307.379	1.510	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CC[C@@H](Cc2ccccc2)C1	584953094	YTEPWMWFBVVJQN-HNNXBMFYSA-N	309.174	1.071	50	20	DDGD	
C/C=C\C(=O)NNC(=O)c1ccc(F)cc1Br	737805595	GDZKYRNFGYTSBM-IHWYPQMZSA-N	301.115	1.925	50	20	DDGD	
Cc1cc(OCC(=O)N2CC[C@@H](B(O)O)C2)cc(C)c1Cl	585064504	GYPXZXZENHUXEM-LLVKDONJSA-N	311.574	1.411	50	20	DDGD	
CC(C)n1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)n1	733123875	IWVOQOOQWFDJDL-UHFFFAOYSA-N	316.317	1.268	50	20	DDGD	
CC(=O)N[C@H](CC(=O)NNC(=O)C1CCC1)c1cccs1	732141001	HIJQTHUAKYGROY-LLVKDONJSA-N	309.391	1.263	50	20	DDGD	
C[C@@H]1CCN(Cc2ccccc2)CC1=NNC(=O)NCC(=O)O	833616118	QDVQHHAWWZZFCV-GFCCVEGCSA-N	318.377	1.268	50	20	DDGD	
CC/C=C/CNC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836574164	VSRLROQMYOTDCZ-ONEGZZNKSA-N	306.322	1.717	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)[C@@H]1CCCCO1)c1c(C)noc1C	836376819	OKEPIYFQNYURJJ-NEPJUHHUSA-N	324.381	1.642	50	20	DDGD	
CCCC(O)(CCC)CC(=O)NNC(=O)[C@H]1CCCCO1	833247016	WZXLWFCMCKTEBQ-GFCCVEGCSA-N	300.399	1.424	50	20	DDGD	
O=C(NNc1cccnn1)[C@@H]1CCN(c2ccc(F)cc2)C1=O	736702426	ZIWJVASMLBEEAB-LBPRGKRZSA-N	315.308	1.112	50	20	DDGD	
Cc1ccc(C(=O)N[C@@H](C(=O)NN(C)C[C@H](C)O)C(C)C)cc1	910181710	CPOPOEOSCCJKTB-DZGCQCFKSA-N	321.421	1.093	50	20	DDGD	
Cc1onc(-c2cccc(F)c2)c1C(=O)NN(C)C[C@@H](C)O	910184843	WUCHKFTYUYHLNO-SECBINFHSA-N	307.325	1.747	50	20	DDGD	
O=C(C[C@@H]1CCC(=O)N1)NNc1cc(C(F)(F)F)ccc1F	831118849	FMGNVFIRRIBTCR-QMMMGPOBSA-N	319.258	1.956	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(SC)oc1C	831575735	VKVLDWVQBUEFGU-UHFFFAOYSA-N	319.477	1.782	50	20	DDGD	
C[C@H]1CCC[C@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)C1	745152691	DNUUEDKWUJVEIP-JSGCOSHPSA-N	318.373	1.817	50	20	DDGD	
C[C@@H]1CC[C@H](CNC(=O)NNc2ncnc3ccsc23)O1	838746458	VIQUKBZTQUBPLS-RKDXNWHRSA-N	307.379	1.885	50	20	DDGD	
C[C@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)CC(F)(F)F	918704213	WCXHDEFRGIRONG-QMMMGPOBSA-N	323.315	1.171	50	20	DDGD	
Cc1oc(C)c(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c1C	746203876	VTOMJYCRARTLMH-LBPRGKRZSA-N	314.407	1.311	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2cccc(C(F)(F)F)n2)CC1=O	740133170	ZIIORKKENVPWFU-MRVPVSSYSA-N	316.283	1.412	50	20	DDGD	
Cc1cc(=NNC(=O)C2CCC(N3CCOCC3)CC2)cc[nH]1	912981210	FSUQRVMXXGGABQ-UHFFFAOYSA-N	318.421	1.146	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@H]2CCC=CO2)c1	843870032	LRQUPCCBYHMLAY-CYBMUJFWSA-N	304.350	1.916	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1cccc2scnc12	840912580	RXLIKXQCZYOYCE-UHFFFAOYSA-N	314.392	1.199	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1cccc(F)c1	843651046	JYZACASLKKIQIY-KDGJFNHZSA-N	306.337	1.801	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1csc(-c2ccccc2F)n1	910167767	KCCGFNUVADTQPC-VIFPVBQESA-N	309.366	1.907	50	20	DDGD	
Cc1nn(-c2cccc(F)c2)cc1C=NNC(=O)C(C)(C)O	841638083	NJPNAVQOCQTDQL-UHFFFAOYSA-N	304.325	1.541	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1c(F)cccc1F	843657722	CYWNUTDNEQGKMU-IVZWLZJFSA-N	312.316	1.641	50	20	DDGD	
O=C(NNc1c(F)cccc1F)[C@@H]1CCCN1c1ncccn1	748161447	LEMBNMSPIPBWCY-LBPRGKRZSA-N	319.315	1.867	50	20	DDGD	
C[C@@]1(C(=O)N2CC(O)(c3ccccc3)C2)C[C@H]1Br	913539628	CVKMRRXYLWJABO-DGCLKSJQSA-N	310.191	1.890	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C1CCCC1)N1CCc2ccccc21	746871655	LAWKRCHQQMRNMP-GFCCVEGCSA-N	301.390	1.775	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC1CCC(C)(O)CC1	749604199	DHLAMIXHLQEJQM-UHFFFAOYSA-N	305.378	1.633	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)C(C)(C)Oc1cccc(Cl)c1	910166439	ACPAIKFCMJQKPA-JTQLQIEISA-N	300.786	1.841	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)nn1C	917522180	CNCBKZIOBCHJPV-UHFFFAOYSA-N	311.345	1.214	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1cnn(-c2ccccc2)c1	746494360	NWCNSKPBVKHLOW-UHFFFAOYSA-N	313.361	1.638	50	20	DDGD	
COc1ccc(OCCSCC(=O)NNC(=O)C2CC2)cc1	742450494	CCAUDLRWRQIWCQ-UHFFFAOYSA-N	324.402	1.365	50	20	DDGD	
CCc1c(C(=O)NNC(=O)COc2ccc(C)cc2)cnn1C	915618286	FGLSJZPTYUJASU-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)n[nH]2)o1	843974978	PUUPUBAPCBXTDI-VHSXEESVSA-N	318.333	1.164	50	20	DDGD	
Cc1ccccc1-n1ncc(C(=O)NN(C)C[C@H](C)O)c1C	910169928	HXRUXLIPGSKMIK-LBPRGKRZSA-N	302.378	1.447	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@H](C)N(C)C)cc1	841376021	OISNERPPACDGLD-JTQLQIEISA-N	310.423	1.353	50	20	DDGD	
CS[C@H]1CC[C@H](NC(=O)NNC(=O)c2cccc(C#N)c2)C1	743586962	AMASXKRRZUQNCG-STQMWFEESA-N	318.402	1.786	50	20	DDGD	
C[C@H]1CN(C(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)CCN1	846669152	UMFFIGHUTJOYKB-MEWQQHAOSA-N	301.228	1.760	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)c1ccccc1C	923911537	NFXNIGOZJKLCPU-RYUDHWBXSA-N	306.362	1.588	50	20	DDGD	
Cc1cc(F)c2c(c1)C(=NNC(=O)[C@@H]1CCO[C@H]1C)C(=O)N2	842555320	KFMOLEOIGACJIT-DTWKUNHWSA-N	305.309	1.332	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cc(C)nn2C)c(OC)c1	841624892	XXKUJOLJRIBIRG-UHFFFAOYSA-N	302.334	1.510	50	20	DDGD	
C[C@]1(CNS(=O)(=O)C[C@@H]2CCCO2)C[C@@H]1Br	856756161	KSXANUZJLZMOLO-LPEHRKFASA-N	312.229	1.258	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)NCCCOC)C[C@@H]1C	758118092	WLOISJDPJRRMIQ-AAEUAGOBSA-N	313.398	1.677	50	20	DDGD	
O[C@@H]([C@@H]1CCCN1CCI)C(F)(F)F	759359931	LVXDAKPQTOGZDY-BQBZGAKWSA-N	323.096	1.809	50	20	DDGD	
CCOc1cc(F)ccc1NC(=O)NNC(=O)c1c[nH]nc1C	755966582	YONUDLMJLSKWSU-UHFFFAOYSA-N	321.312	1.722	50	20	DDGD	
CC(C)(C)n1cc(C=NNC(=O)c2cccc(Cl)n2)nn1	853410754	XLRJXLWZXZNHBD-UHFFFAOYSA-N	306.757	1.845	50	20	DDGD	
Cc1ccc(NNC(=O)NCCCN2C(=O)CCC2=O)cc1F	853688812	BFMGPNHBYISJFI-UHFFFAOYSA-N	322.340	1.299	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C1CCC2(CC1)CC2	854286251	XKQNSEFYEMPTQW-UHFFFAOYSA-N	313.467	1.831	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=Cc1ccc(O)c(F)c1	755752568	HIWURTHGSDHILX-UHFFFAOYSA-N	312.304	1.872	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)/C=C(\C)c1cccs1	857712944	WQHRBJCADMWPKJ-MDZDMXLPSA-N	323.418	1.604	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C=NNC(=O)[C@@H]1CCCOC1	853360129	VXPYPLRHOJUJSU-GZBFAFLISA-N	320.393	1.416	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCc1ncccn1)c1ccccc1	852621336	UWEHLZZXGNPYIR-ZDUSSCGKSA-N	313.361	1.501	50	20	DDGD	
CCC(=NNC(=O)Cc1ccccc1OC)c1ccn(C)n1	758114063	VBXJYEJNZHLPRD-UHFFFAOYSA-N	300.362	1.902	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@H]1CCCS(=O)(=O)C1	855370066	LZWWZZWUDIDIFN-JTQLQIEISA-N	300.355	1.402	50	20	DDGD	
CCCC[C@@H](C(=O)NNC(=O)CNC(=O)c1ccco1)C(C)C	857099176	MILXVPOLKQEKBQ-GFCCVEGCSA-N	323.393	1.619	50	20	DDGD	
CCOc1ncccc1C(=O)NNC(=S)N[C@@H](C)C1CC1	855103725	SSQQZUYJIXJCRV-VIFPVBQESA-N	308.407	1.388	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)CC[C@@H]1CC[C@H](C)O1	854282648	OXCLDOJDXKYTRJ-RYUDHWBXSA-N	317.455	1.208	50	20	DDGD	
CC1(CNC(=O)NC[C@]2(C)C[C@@H]2Br)CCNCC1	857104453	SSZNCYJYXGFALD-GWCFXTLKSA-N	318.259	1.849	50	20	DDGD	
C[C@H](N)[C@@H]1CCN(C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	857105554	NHQOWIMJUFWJCK-MIZYBKAJSA-N	304.232	1.539	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1ccnc(OCC(F)F)c1	758040471	UBZFDHGOFFLJMY-UHFFFAOYSA-N	322.271	1.195	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H]2CCN(C(C)(C)C)C2)n1	852293112	JBCDCLPLXBRPSE-LBPRGKRZSA-N	319.409	1.207	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H](C)c1ccccn1	854388299	FOEROLVGHZXZRE-LLVKDONJSA-N	309.366	1.122	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1noc2c1COCC2	857864184	FKKLKZLHVQKXHV-UHFFFAOYSA-N	315.333	1.562	50	20	DDGD	
O=C(NN=Cc1ccccc1C1CC1)N[C@H]1CCS(=O)(=O)C1	751131394	UYEXOAGDFRVKQK-ZDUSSCGKSA-N	321.402	1.384	50	20	DDGD	
CN(C)C(=O)c1cc(NC(=O)NNC(=O)C2CCCC2)ccn1	756646429	MEBDZQDDURNLKV-UHFFFAOYSA-N	319.365	1.126	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cccc3c2OCC3)n1	933987997	SZDACBIONAAVLG-UHFFFAOYSA-N	300.318	1.485	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1CCN(c2nccs2)CC1	764663303	SSEILMPYCIOBBS-UHFFFAOYSA-N	323.466	1.947	50	20	DDGD	
C[C@@H](CC(=O)NN[C@H](C)C(F)(F)F)NC(=O)c1ccccc1	862304352	ANZMLADOZNDLCS-VHSXEESVSA-N	317.311	1.767	50	20	DDGD	
CC(C)(C)c1[nH]cnc1C(=O)NNC(=O)Cc1ccncc1	866320893	LHHXVJXUFNVBQX-UHFFFAOYSA-N	301.350	1.106	50	20	DDGD	
O=C(Cc1cc(F)c(F)cc1F)NNC(=O)C1CCCC1	767870473	ZNDTXXHGRAJMAD-UHFFFAOYSA-N	300.280	1.984	50	20	DDGD	
CCC(=O)Nc1ccc(C)c(NC(=O)NNC(=O)CN(C)C)c1	763264978	BEGBVXVCCIRLHM-UHFFFAOYSA-N	321.381	1.058	50	20	DDGD	
O=C(NN=C1CCS(=O)CC1)Nc1ccc(C(=O)O)cc1	761813860	XOYGYQWYOKHADM-UHFFFAOYSA-N	309.347	1.405	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccsc2)cc1	764183192	VHQNXMUUBLLURZ-UHFFFAOYSA-N	314.326	1.019	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@@H]1C[C@H]1C(F)(F)F	868553202	CGZHUBYUXQIXFU-VXNVDRBHSA-N	305.231	1.721	50	20	DDGD	
CCCOc1cc(F)ccc1NCc1ccc(B(O)O)cc1	864022509	PKDKYXISYBXLGX-UHFFFAOYSA-N	303.142	1.906	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21	861515116	OZVCVDXFYVYBBG-HBNTYKKESA-N	313.279	1.465	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)[C@H](C)Oc1ccccc1F)C(C)C	769740803	IEPGKHSKEPGCGN-GXFFZTMASA-N	312.341	1.411	50	20	DDGD	
Cc1oc2ccccc2c1CC(=O)NNC(=O)N1CCOCC1	767248701	NFORHUSBCOKVFR-UHFFFAOYSA-N	317.345	1.357	50	20	DDGD	
CO[C@]1(CNC(=O)c2c(C)nn(CCCl)c2C)CCOC1	763803947	PPIGMIAVJDWUCP-AWEZNQCLSA-N	315.801	1.274	50	20	DDGD	
COc1ccc(NCC(=O)NN=C(C)c2ccnn2C)cc1	765994908	ZZHPQKKLTCIELD-UHFFFAOYSA-N	301.350	1.381	50	20	DDGD	
CC[C@@H](C)n1nc(NC(=O)C(=O)NNC(=O)CC2CC2)cc1C	764142717	ACEQMYMQLAIJNG-SECBINFHSA-N	321.381	1.049	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2nc3ccccc3[nH]c2=S)CN1	862291184	GHZDUJYAORCFIF-MRVPVSSYSA-N	317.374	1.262	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cn2ccc3ccccc32)ns1	766607003	VVUGJGBIMMSYJZ-UHFFFAOYSA-N	314.370	1.867	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(Cl)nc2)c(C)nn1	767287741	UFPZOPMAPYYVIU-UHFFFAOYSA-N	305.725	1.217	50	20	DDGD	
C[C@H](OC1CCCCC1)C(=O)NNc1nc2ccccn2n1	1116753406	SXLUMFCRVTWBMH-NSHDSACASA-N	303.366	1.910	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H]1SCCc2ccccc21	875348370	KKVIUFOIZVGEEN-LBPRGKRZSA-N	309.391	1.929	50	20	DDGD	
Cc1cc(Cl)cc(C)c1NC(=O)C(=O)NNC(=O)C(C)C	1116631150	IBZBSYCQLWBJSR-UHFFFAOYSA-N	311.769	1.699	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)NCC(F)F)c1C	879759548	QVGOGYCIXIKLFH-JTQLQIEISA-N	315.320	1.666	50	20	DDGD	
CO[C@](C)(CNC(=O)NN=c1cc[nH]c(C)c1)c1ccccc1	875640296	TVSFEOMKQAGNNE-QGZVFWFLSA-N	314.389	2.000	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C2=COCCC2)cn1	874953771	IOTYIKXEGWJFFL-UHFFFAOYSA-N	308.363	1.102	50	20	DDGD	
Cc1csc(CCC(=O)NNc2ncccc2[N+](=O)[O-])n1	770047822	WIZMQYYEVJSPBG-UHFFFAOYSA-N	307.335	1.831	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(C(C)=O)cs1	772098529	UNJALZJAPHXJQW-MRVPVSSYSA-N	312.347	1.053	50	20	DDGD	
CCN1CCO[C@H](C(=O)NNc2cc(Cl)ccc2F)C1	871272602	VUKCJRCPDYZEDG-LBPRGKRZSA-N	301.749	1.643	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(C)[C@@H](CO)c1ccccc1	772744315	ZQOAUEXXHPUINU-ZFWWWQNUSA-N	321.421	1.234	50	20	DDGD	
C=CCN(CCc1ccco1)[C@H](C)C(=O)NNC(=O)CC(C)C	778996649	SKYXPPSKUOPEEP-CQSZACIVSA-N	321.421	1.892	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C	875574461	NYVNBPVCVPLRTO-OCCSQVGLSA-N	322.409	1.899	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CN(CC)c1ccccc1	772113917	IUEFHEANBZRXLN-LBPRGKRZSA-N	321.377	1.002	50	20	DDGD	
O=C(NNc1ccc(F)cn1)[C@H]1CC(=O)N(Cc2ccco2)C1	874651506	PDIJTRDXUKTRNI-JTQLQIEISA-N	318.308	1.306	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NOC1CCCCC1	777717893	YSVBAEGZFYVEPE-UHFFFAOYSA-N	321.377	1.832	50	20	DDGD	
C[C@H](Oc1ccc(C(=O)NN(C)C(N)=O)cn1)c1ccccc1	778415290	CYFMALHNSQBNFN-NSHDSACASA-N	314.345	1.877	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2ncc(Br)cn2)CCN1	1122053793	IDTYUTUFTLGEHX-HTQZYQBOSA-N	314.187	1.070	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)c1cccnn1)c1ccccc1	883075208	UWMVENIYZMYIIN-LBPRGKRZSA-N	313.361	1.614	50	20	DDGD	
CC[C@]1(C)COCCN1CC(=O)NNC(=O)c1cccc(C)c1	777714152	WSGOTTCRIRRQHM-QGZVFWFLSA-N	319.405	1.257	50	20	DDGD	
CN(C)C(=O)NNC(=O)CCCCCNC(=O)OC(C)(C)C	780515679	IISJWOAPQVGBSH-UHFFFAOYSA-N	316.402	1.374	50	20	DDGD	
C[C@H](CCc1cccn1C)NC(=O)NNC(=O)C1CCOCC1	883466294	JQPNDZIWKMTUKO-GFCCVEGCSA-N	322.409	1.103	50	20	DDGD	
O=C(C[C@H]1CCCS(=O)(=O)C1)NNc1cc(F)ccc1F	885141506	GGXXEZGDZUPXHX-SECBINFHSA-N	318.345	1.623	50	20	DDGD	
Cc1cc(C(F)(F)F)ccc1C=NNC(=O)C(=O)NC1CC1	785451713	UXJAPBLOKJQSNU-UHFFFAOYSA-N	313.279	1.743	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2c[nH]nc2C)ccc1Cl	788756981	DLGMYPZAKBWHKX-UHFFFAOYSA-N	323.740	1.847	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1cc2ccccc2[nH]1	788425356	PXINXXWKIWAOHG-UHFFFAOYSA-N	310.313	1.641	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21	780917411	HQLNIHZXSTWGDF-BPLDGKMQSA-N	304.346	1.028	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)c1cccn2c(O)nnc12	781017705	GILSKWJENUVANQ-UHFFFAOYSA-N	320.312	1.740	50	20	DDGD	
CN1CCC[C@@H]1c1cc(C(=O)NNc2ncc(Cl)cn2)n[nH]1	899043285	WLPBKWOUTCGRLK-LLVKDONJSA-N	321.772	1.377	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H]1CO[C@@H](C)C1	784143705	HEQPJYPVQOSZRF-UWVGGRQHSA-N	309.391	1.438	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C12CCC(CC1)C2	784994526	DBCAWEXLZYGIIQ-UHFFFAOYSA-N	318.373	1.802	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccccc1-c1ccno1	782250995	FTNFOYCOGIBOMF-JTQLQIEISA-N	323.374	1.697	50	20	DDGD	
CC(=O)Nc1ccc(CNC(=O)NN(C)c2ccccc2)cn1	789841712	MMFZPIGEWSNHSO-UHFFFAOYSA-N	313.361	1.891	50	20	DDGD	
CC(C)Cn1cccc(C(=O)NNC(=O)CC(C)(C)C)c1=O	894255371	PQJPOZLDZFNWJT-UHFFFAOYSA-N	307.394	1.702	50	20	DDGD	
Cc1nc(O)c2ccc(C(=O)NCCCSC#N)cc2n1	897677605	SPXQFALJGYUUTP-UHFFFAOYSA-N	302.359	1.978	50	20	DDGD	
CC(C)O[C@H](C=NNC(=O)C(=O)NC1CC1)c1ccccc1	792944466	SLOCUESDXYLZPN-CQSZACIVSA-N	303.362	1.533	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2CCOCC2)c(C(C)C)n1	894101962	WXPDKHKWYCCPKD-UHFFFAOYSA-N	305.378	1.701	50	20	DDGD	
COc1cc(/C=C(\C#N)S(=O)(=O)N(C)C)ccc1[N+](=O)[O-]	794958363	MNRSCDFMVWNULI-UXBLZVDNSA-N	311.319	1.359	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2nc3ccccn3n2)n2cccc21	790061286	PGAHFTAIYDSEEO-NSHDSACASA-N	310.317	1.192	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)SCc1ccc2c(c1)OCO2	794546079	PVCNLSMTMSINKI-SECBINFHSA-N	310.375	1.594	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)CCc1ccccc1O	795084186	CFASCZPPVACYMC-XHDPSFHLSA-N	308.378	1.533	50	20	DDGD	
COc1cc(/C=C(\C#N)S(N)(=O)=O)cc(Cl)c1OC	798230702	AQEMEHVKGOFMNL-FPYGCLRLSA-N	302.739	1.510	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCO[C@H](C(C)(C)C)C1	790426893	ORPPKQOOENQUSJ-STQMWFEESA-N	313.442	1.315	50	20	DDGD	
CN(C)C(=O)CCCOC(=O)/C(C#N)=C/c1ccc(O)cc1	795444609	HESDKMBATOONNN-JLHYYAGUSA-N	302.330	1.711	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)NCc2ccco2)c1	797358841	REDSUNZUZXENQP-UHFFFAOYSA-N	319.317	1.441	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1cnc2[nH]cnc2c1	791070073	XVUDPIJGTZCXIN-UHFFFAOYSA-N	316.252	1.762	50	20	DDGD	
O=C(C[C@@H]1OC(=O)c2ccccc21)NNc1nc2ccccn2n1	791258865	JBLWIZOPLVLPQM-LBPRGKRZSA-N	323.312	1.474	50	20	DDGD	
Cc1c[nH]nc1C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	799426811	QTFAWITVBOESHW-SECBINFHSA-N	322.752	1.600	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)C(=O)OC)cc1OCC	1319044012	FJDPPFSSIFQDGF-UHFFFAOYSA-N	308.334	1.497	50	20	DDGD	
CC(F)(F)C(=O)NNC(=O)c1ccc(Br)cc1	1324459819	OLPDFXVNDKWXNF-UHFFFAOYSA-N	307.094	1.865	50	20	DDGD	
O=C(CSc1nc2ccccc2[nH]1)NNC(=O)CC1CC1	1324386677	JACJIRGEFQZEFH-UHFFFAOYSA-N	304.375	1.603	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)Cn2nccc2C)cc1	1328765081	SZZDSFXXUQGJFR-UHFFFAOYSA-N	318.402	1.440	50	20	DDGD	
COc1nc(Cl)c(/C=C(/C#N)C(=O)[C@@H]2CCCOC2)n1C	1321543195	YQEQRPJGUUXDDM-WPVMNKCKSA-N	309.753	1.985	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)c1cncn1-c1ccccc1)C1CC1	1323608301	RDYMRMXEZWNNSL-XFXZXTDPSA-N	310.357	1.990	50	20	DDGD	
O=C(CCC(=O)c1ccc(F)cc1F)NNc1cccnn1	1320056544	CRAUQKKLSGESFF-UHFFFAOYSA-N	306.272	1.861	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2cc(CN(C)C)on2)c1	1323657157	WPBWKXVBIXUZEN-UHFFFAOYSA-N	308.313	1.641	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2[nH]c(C)cc2C)cc1	1333023289	KDFIROJADBOLJF-UHFFFAOYSA-N	316.361	1.513	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=O)c2ccccc2C)c1C	1338535097	RJOVWGNQIWLCGF-UHFFFAOYSA-N	300.362	1.985	50	20	DDGD	
Cc1ncc(Br)c(C(=O)NNC(=O)CC(C)C)n1	1255764227	HSUGMBWZIIRUPX-UHFFFAOYSA-N	315.171	1.355	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@H]2CCN(c3cnn(C)c3)C2)n1	1332682197	ORBNPWITEUORCC-LBPRGKRZSA-N	315.381	1.029	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)NNC(=O)c1ccccc1Cl	1339307419	VZMCUBOEDWICQO-LLVKDONJSA-N	309.753	1.112	50	20	DDGD	
N#Cc1cccc(NNC(=O)C(=O)Nc2cnn(C(F)F)c2)c1	1330145946	PMSORQMSELEVIX-UHFFFAOYSA-N	320.259	1.232	50	20	DDGD	
Nc1cnnc(NNC(=O)Cc2cn3ccccc3n2)c1Cl	1333508743	OFWVSUXBMFUPMB-UHFFFAOYSA-N	317.740	1.046	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@]12CCC[C@@H]1C2	1334551065	TZGSFDZYVITOMS-BDJLRTHQSA-N	304.346	1.412	50	20	DDGD	
COC1(C=NNC(=O)c2n[nH]c3c2CCCC3)CCOCC1	1339079274	NHXJIEIVIYCHJX-UHFFFAOYSA-N	306.366	1.200	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@]2(C)CCOC2)cc1	1261369539	DBRGMZLVGUBRSU-OAHLLOKOSA-N	323.418	1.830	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@H]1C[C@H]1F	1345505606	CZUMMJIQWAKMLD-VHSXEESVSA-N	304.325	1.104	50	20	DDGD	
C/C(=C(/F)C(=O)NNC(=O)c1n[nH]c2c1CCCC2)C1CC1	1353876459	PUQWSZALCPROSU-WQLSENKSSA-N	306.341	1.703	50	20	DDGD	
Cc1cc(NNC(=O)N[C@H](C)c2nnnn2C)ccc1Cl	1527976579	GHXCGXVIFBHCDI-MRVPVSSYSA-N	309.761	1.559	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)Cc2ccc(C(=O)O)nc2)c1	1607790953	HLXJDASPUQDCER-UHFFFAOYSA-N	303.293	1.913	50	20	DDGD	
COC[C@H]1C[C@@H](NC(=O)NNc2ccc(CC(=O)O)cc2)C1	1606938632	DNRVDEFRJYMWMP-BJHJDKERSA-N	307.350	1.365	50	20	DDGD	
Cn1nccc1[C@H](NC(=O)c1cccc(CCl)c1)C(=O)O	1608162332	DORSESYPWODKOB-LBPRGKRZSA-N	307.737	1.715	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@H]1CCc2cc(-c3nn[nH]n3)ccc21	1604360095	BLHPVJVGOASDFL-UQTJOTSZSA-N	324.344	1.414	50	20	DDGD	
O=C(NNc1cccc(F)c1F)N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1	1608482402	AAQFLIMNXXZBPW-KXEKKFMESA-N	311.288	1.844	50	20	DDGD	
Cc1c(C(=O)O)cccc1S(=O)(=O)NCCCSC#N	1607517845	MMRZMLLVEWJYOU-UHFFFAOYSA-N	314.388	1.576	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]c1=S)[C@H]1CC[C@H]1C(=O)O	1601562099	RRVKGAQYPARRTF-JGVFFNPUSA-N	318.358	1.846	50	20	DDGD	
CCOCc1nc(C)cc(NNC(=O)[C@@H]2CCN[C@H](C)C2)n1	1578127348	UFAUKWCYHARMOF-ZYHUDNBSSA-N	307.398	1.153	50	20	DDGD	
COc1ccc(NNC(=O)C2(C(=O)O)CCCCCC2)nc1	1574218499	FZLSVKNAUJSDKQ-UHFFFAOYSA-N	307.350	1.959	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](N)c2ccccc2)cc1F	1578872972	PFMKBXLBIVGKPP-CQSZACIVSA-N	317.320	1.755	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H](F)[C@H]2CCNC2)c1C	1579768276	UFTKASNCXGNZDW-AAEUAGOBSA-N	324.425	1.569	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc2[nH]ccc2n1	1582562261	MWKLIQXMCSWNIP-UHFFFAOYSA-N	320.316	1.500	50	20	DDGD	
CC(C)C#CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	1589390022	XKSDWAHMRVBNTA-UHFFFAOYSA-N	305.729	1.018	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1ccccn1	1589054406	FCPXQZQDTWQQDK-UHFFFAOYSA-N	323.360	1.683	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NC[C@]1(C(=O)O)CCOC1	1589700540	ZBYSOHILIYQBEQ-QPUJVOFHSA-N	322.199	1.404	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2CCC2(C)C)o1	1589773787	MVABYUOXGRZYDU-QMMMGPOBSA-N	319.369	1.857	50	20	DDGD	
CCCc1n[nH]cc1C(=O)NNc1ccc(CC(=O)O)cc1	1596030548	YZYLWSKHEBPMHK-UHFFFAOYSA-N	302.334	1.746	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)OC	1847320080	FRJZYLOIWQZWON-WOPDTQHZSA-N	316.829	1.631	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNC(=S)N[C@H](C)C2CC2)c1	1594288410	OLNFCBXRYFWTMF-SECBINFHSA-N	321.402	1.601	50	20	DDGD	
COC(=O)CCCCC(=O)NNc1ccc(C)c(C(=O)O)c1	1598851587	QUISESCGAGDFCO-UHFFFAOYSA-N	308.334	1.870	50	20	DDGD	
COc1cc(C(=O)O)ccc1C=NNC(=O)Cc1cc(C)[nH]n1	1776028532	HHWSMFRICCGVAH-UHFFFAOYSA-N	316.317	1.118	50	20	DDGD	
O=C(NN=Cc1cccc(C(=O)O)c1Cl)c1cnsn1	1776105241	URXZKOGQPUYHOB-UHFFFAOYSA-N	310.722	1.654	50	20	DDGD	
CC(C)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl	1793109666	GBOJRODJKFFVGA-YVECIDJPSA-N	316.829	1.270	50	20	DDGD	
CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)c1cc(C)n[nH]1	151168230	UQFLLJSTBUNYKI-CQSZACIVSA-N	316.361	1.645	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)c1cc(C)n[nH]1)c1ccc(F)cc1	153187463	TWDZLKGYDUOPTD-CLFYSBASSA-N	302.309	1.722	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1ccc([N+](=O)[O-])cc1F	156252561	ZZJPCQZMBQWFRO-UHFFFAOYSA-N	317.240	1.157	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccc(C(=O)NCCC)c1	157805418	QUZYCIMOCWRXLK-UHFFFAOYSA-N	320.418	1.121	50	20	DDGD	
CC[C@@](C)(NS(=O)(=O)c1ccc(CCCl)cc1)C(N)=O	312231022	HODFOAKLMILINB-CYBMUJFWSA-N	318.826	1.400	50	20	DDGD	
Cc1cc(S(=O)(=O)NN(C)C(=O)OC(C)(C)C)sn1	867388673	BHOBZQJQKIMRRQ-UHFFFAOYSA-N	307.397	1.512	50	20	DDGD	
Cc1cccc(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1	102600360	PBJOEDDDTFMEGK-UHFFFAOYSA-N	313.313	1.907	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](NC2CCOCC2)C(C)C)nc(C)n1	173832237	KTAZGCAGHHFQFN-HNNXBMFYSA-N	321.425	1.330	50	20	DDGD	
CC[C@@H](C)Oc1ccc(C(=O)NNC(=O)c2cnn(C)c2)cc1	176629466	UFMOCVDEKKWCDE-LLVKDONJSA-N	316.361	1.672	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@H]2C[C@@]23CCCc2ccccc23)cn1	173688520	OXNWGTZZEIRNEM-CRAIPNDOSA-N	324.384	1.475	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2nc(C)cs2)n1	175220876	GFAXQFZZTMOHGG-UHFFFAOYSA-N	308.367	1.385	50	20	DDGD	
O=C(CCOc1ccccc1[N+](=O)[O-])NNc1ncccn1	67791576	RHPMLZLOJWFJSR-UHFFFAOYSA-N	303.278	1.297	50	20	DDGD	
COCCCNC(=O)NNC(=S)Nc1ccc(C(C)=O)cc1	64937326	PDVQUBDIYQELIN-UHFFFAOYSA-N	324.406	1.426	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CNC(=O)c1ccco1)c1cccs1	119138435	MOJZYBKHSBMZLO-SECBINFHSA-N	321.358	1.022	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccccc1OCC1CC1	110760918	GGTAOYPABLYHTH-UHFFFAOYSA-N	314.345	1.582	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNC(=O)c1cccc(Cl)c1	170916322	BPHMRTZKZKJCMK-ZDUSSCGKSA-N	309.797	1.975	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCCNC(=O)c1ccccc1	64426609	JCFASHXFMGITRO-UHFFFAOYSA-N	320.393	1.327	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc21)NC1CCCCC1	172011225	BTOLEPNFTGMEFB-ZDUSSCGKSA-N	303.362	1.826	50	20	DDGD	
CC[C@@H](C)N(CC(=O)NNC(=O)C1CC1)Cc1ccccc1	112975893	TTZKMLCHBUTTFG-CYBMUJFWSA-N	303.406	1.845	50	20	DDGD	
C[C@@H]1CC[C@H](CCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)O1	174929638	DQEUQIQOOXLBKX-ZWNOBZJWSA-N	321.333	1.704	50	20	DDGD	
CCOc1ccc(C(=O)CCC(=O)NNC(=O)NC(C)C)cc1	63270972	LERNSNKGXUVVEN-UHFFFAOYSA-N	321.377	1.787	50	20	DDGD	
O=C(NNc1cnccn1)Nc1cccnc1Br	179925100	VUBSKAILSWCGPO-UHFFFAOYSA-N	309.127	1.783	50	20	DDGD	
NC(=O)[C@@H](NNC(=O)c1cc2c(s1)CCC2)c1ccccc1	26223832	BWOIHGRZILGEQF-AWEZNQCLSA-N	315.398	1.698	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccccc2C)o1	129624876	FVAOHEPOQIEQRH-UHFFFAOYSA-N	301.302	1.296	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CN(C)C(C)C)cc1C	125719876	JKGYMVATZPVJOQ-UHFFFAOYSA-N	307.394	1.170	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCCn1ccc2ccccc21	66687686	FRSJZCMTTVDOSA-UHFFFAOYSA-N	318.377	1.398	50	20	DDGD	
CC(=O)Nc1ccc(Cl)c(C(=O)NNc2ncc(F)cn2)c1	122907593	MBPDMBXRPBBXDX-UHFFFAOYSA-N	323.715	1.984	50	20	DDGD	
CCN(CC)CC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	63679063	IVWSAEILDXBGLR-LLVKDONJSA-N	311.357	1.082	50	20	DDGD	
CC[C@H](Cc1ccccc1)N(C)CC(=O)NNC(=O)C1CC1	128632301	BUVJGMRKHXDZIB-OAHLLOKOSA-N	303.406	1.497	50	20	DDGD	
Cc1nnc2ccc(C(=O)NNc3ccccc3[N+](=O)[O-])cn12	129965886	OIMAXAKHCQYZNV-UHFFFAOYSA-N	312.289	1.703	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNC(=O)Cc1ccc(Cl)cc1	121238637	DRZQPKUTWCYFJA-VIFPVBQESA-N	312.753	1.229	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cccc(F)c2C#N)nc1	187335471	ZBJWPSCKMURSGS-UHFFFAOYSA-N	314.276	1.636	50	20	DDGD	
C[C@H](CCc1ccccc1F)C(=O)NNC(=O)N1CCOCC1	79806079	GUISCFGXQBFBQI-GFCCVEGCSA-N	323.368	1.467	50	20	DDGD	
Cc1cc(F)ccc1NC(=O)NNC(=O)Cc1cccnc1	182905760	LAEQCPRDOIKHOA-UHFFFAOYSA-N	302.309	1.925	50	20	DDGD	
Cn1cnc(-c2cccc(NC(=O)NNc3ncccn3)c2)n1	121538324	GXVXUIOUUOXMCX-UHFFFAOYSA-N	310.321	1.421	50	20	DDGD	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)NN(C)C(N)=O	181065549	YYQHWMCOGRWMCR-UHFFFAOYSA-N	308.338	1.913	50	20	DDGD	
C/C=C/C=C/C(=O)NNc1c(OC)cccc1S(C)(=O)=O	186068724	WNRFNLQRJIRDIW-UMCKCUICSA-N	310.375	1.674	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@H](C)CC(=O)OC)c1ccccc1	132396333	SZVUFYCIEWXESW-DGCLKSJQSA-N	306.362	1.527	50	20	DDGD	
COc1c(F)ccc(F)c1C(=O)NNc1ncnc2nc[nH]c12	133514598	YDYQAMAFSAYDHY-UHFFFAOYSA-N	320.259	1.397	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)N[C@@H]1COc2ccccc2C1	191190371	XLTPXVUGCQRMLW-LBPRGKRZSA-N	324.344	1.359	50	20	DDGD	
Cc1ccc([C@@H](O)CNC(=O)NNC(=O)c2ccccc2)cc1	47008005	LDXMIAFNMBFEDB-HNNXBMFYSA-N	313.357	1.673	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccncc2)cnn1-c1ccncc1	134514222	GDPZQDUCGJEGJK-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cc2ccccc2oc1=O	81026383	MTGMNZHZNQCJLA-UHFFFAOYSA-N	323.308	1.192	50	20	DDGD	
CC(C)Oc1cccc(CC(=O)NNC(=O)c2ccncc2)c1	195069301	SYQBECWFCPYJQE-UHFFFAOYSA-N	313.357	1.873	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCOc1cccc(Cl)c1	42785710	MWSRVHAPDSCUBA-UHFFFAOYSA-N	313.810	1.790	50	20	DDGD	
O=C(CSc1ccccc1)NNC(=O)Cc1ccncc1	81026432	NHNDFEQKJFHUBY-UHFFFAOYSA-N	301.371	1.564	50	20	DDGD	
COCCCCNC(=O)NNC(=O)c1c(C)nc2ccccn12	46735375	BQMRSRKUMBJZRD-UHFFFAOYSA-N	319.365	1.013	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNC(=O)c2cccn2C)cn1	80005285	WJQQFEDOXVKNHS-UHFFFAOYSA-N	302.334	1.282	50	20	DDGD	
CC(C)C(=O)NCCCNC(=O)/C(C#N)=C\c1ccc(O)cc1	194808523	YBTNUBKSIMZHHB-UVTDQMKNSA-N	315.373	1.578	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)c2cccn2C)c1C	193174201	JIEHQVLLTFJUHB-UHFFFAOYSA-N	315.373	1.872	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCOCC(F)F)c1ccccc1	191564371	VJMXKFMANWRVBD-GFCCVEGCSA-N	314.332	1.999	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@H](C)c1cccc(F)c1	94120917	KCEFZOAHEMTUDW-SECBINFHSA-N	315.439	1.788	50	20	DDGD	
CN1CCC(NC(=O)NN=c2sc3ccccc3n2C)CC1	255035440	BIONAPHZILLQBK-UHFFFAOYSA-N	319.434	1.449	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])o1	269447851	FWJUNIOOQATEMK-UHFFFAOYSA-N	321.293	1.418	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)c1cccc(Cl)c1)C(C)C	266690667	CBBZKVJBOPYLAK-LBPRGKRZSA-N	313.785	1.955	50	20	DDGD	
CCOCCC1(CNC(=O)NNC(=O)c2ccccc2O)CC1	269895224	LXUHHDGMMSQODU-UHFFFAOYSA-N	321.377	1.543	50	20	DDGD	
CC(C)(O)CCNC(=O)NNC(=O)c1cccc2ccccc12	274853027	UQTJAKQXEAJLPD-UHFFFAOYSA-N	315.373	1.945	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)Cc2ccccc2F)CCO1	271196104	ATALXJCZLGPKHZ-CMPLNLGQSA-N	309.341	1.266	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(CN2CCCCC2)cc1	272666110	IYEKWNRROMWEOH-UHFFFAOYSA-N	318.421	1.979	50	20	DDGD	
NC(=O)[C@@H]1CN(Cc2ccc(OCCCCl)cc2)CCO1	368540950	WDVNHQABIWJZSO-AWEZNQCLSA-N	312.797	1.380	50	20	DDGD	
CS(=O)(=O)c1cccc(NC(=O)NNC(=O)C2CCC2)c1	272292159	BRFOWYTZUIYDLB-UHFFFAOYSA-N	311.363	1.043	50	20	DDGD	
COCCOc1cc(C)ccc1NC(=O)NNC(=O)C1CCC1	272810660	JGVCKULVIQGONO-UHFFFAOYSA-N	321.377	1.973	50	20	DDGD	
CC(C)[C@H]1C[C@@H](CC(=O)NNC(=O)c2ccccn2)CCO1	273051002	BNSDQWJOONULCP-GXTWGEPZSA-N	305.378	1.684	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNc1cccc(OC)n1	276887070	TUJMEGRKHYDXRF-UHFFFAOYSA-N	302.334	1.949	50	20	DDGD	
CCc1c(C(=O)NNC(=O)NC)cnn1-c1ccccc1C	274574733	BUDSSGLYFPYMGQ-UHFFFAOYSA-N	301.350	1.317	50	20	DDGD	
O=C(NNc1cccnn1)[C@@H]1CCCCN1C(=O)c1ccco1	273259619	ZCROONBJPAKMBG-NSHDSACASA-N	315.333	1.208	50	20	DDGD	
CC1(C)OCC(C)(C(=O)NNc2ncnc3ccsc23)CO1	272099846	LIBSCKYWUHEOGF-UHFFFAOYSA-N	322.390	1.924	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1ccc2c(c1)CCO2	285450291	ZIVYELYHIBWZDC-UHFFFAOYSA-N	312.416	1.687	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2c(C)coc2C)c1	286973671	FDZZRWOUSPPBSG-UHFFFAOYSA-N	317.345	1.778	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)o1	371913920	XWJXGRZRBLSACA-VDQHWBOFSA-N	318.373	1.680	50	20	DDGD	
CO/N=C/c1ccc(C(=O)NNC(=O)NCC(F)(F)F)cc1	281373394	WTGVJQAUDAIXGN-UBKPWBPPSA-N	318.255	1.173	50	20	DDGD	
COC(=O)N(C)NC(=O)Cc1cccc(Br)c1	286519904	XKGYGTBFJVPBCX-UHFFFAOYSA-N	301.140	1.721	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1occ2c1CCOC2)C1CC1	376022389	CYFBLTWAQZYBJX-QMMMGPOBSA-N	309.391	1.260	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCOC2)c1ccccc1	371536865	ZTBHPNVSGPBGIR-UHFFFAOYSA-N	302.355	1.896	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1	286424734	QOLQZGBTLAGAFQ-ZDUSSCGKSA-N	308.334	1.587	50	20	DDGD	
CO[C@@H]1CCC[C@H](CC(=O)NNC(=O)CNc2ccccc2)C1	280000737	MQYUQBXFYGJGCO-DZGCQCFKSA-N	319.405	1.841	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@](C)(C#N)CC)o1	284968371	CUJUBJNFHVZGHE-INIZCTEOSA-N	320.393	1.822	50	20	DDGD	
CSCc1cccnc1C(=O)NNC(=O)[C@H]1CCCCO1	295693135	ZJOQOLAYQLNSGN-LLVKDONJSA-N	309.391	1.275	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@@H]1C[C@@H](c2ccccc2)OC1=O	809754735	GBTQOVCMTRRVMO-STQMWFEESA-N	315.304	1.968	50	20	DDGD	
O=C(NCCCc1ccccc1)C(=O)NCC(Cl)Cl	294518655	UMXTYDFEDAQKCO-UHFFFAOYSA-N	303.189	1.655	50	20	DDGD	
O=C(NNc1cccc(F)n1)C1CCC(NC(=O)C2CC2)CC1	804774723	RCKJEHGKOGAWBF-UHFFFAOYSA-N	320.368	1.749	50	20	DDGD	
C[Si](C)(C)c1ccc(CC(=O)NNc2ccncn2)cc1	295548986	TVZPLWUAOVCOAA-UHFFFAOYSA-N	300.438	1.708	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)c2cccc(N(C)C)c2)no1	294237401	DVHFMKZUVNWLTR-UHFFFAOYSA-N	316.361	1.768	50	20	DDGD	
CCc1nc(C)c(CNC(=O)NNc2nc3ccccn3n2)o1	293324999	FTTDXVSCWTWWIQ-UHFFFAOYSA-N	315.337	1.414	50	20	DDGD	
CCc1c(C(=O)NNC(=O)[C@@H]2CCCCO2)cnn1C(C)(C)C	295759969	PWFVMRKXZNCQGY-ZDUSSCGKSA-N	322.409	1.531	50	20	DDGD	
C[C@@H]1CCC[C@@]1(O)CNC(=O)/C(C#N)=C\c1ccc(O)cc1	294133686	KVQJJBVGEOPHGO-FNQHXBGSSA-N	300.358	1.966	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCN3CCCC[C@@H]23)s1	299189785	LOQPZXFEGBRNPI-NEPJUHHUSA-N	322.434	1.627	50	20	DDGD	
O=C(CCc1cc(F)ccc1F)NNC(=O)[C@H]1CCCCO1	295367891	JUIMFGDTJVYXBI-CYBMUJFWSA-N	312.316	1.614	50	20	DDGD	
O=C(Cc1ccc(F)cc1F)NNC(=O)N=c1cc[nH]cc1	802029874	VCHRHPLQHNHJIJ-UHFFFAOYSA-N	306.272	1.177	50	20	DDGD	
CCNC(=O)[C@@H](NC(=O)NNc1cc(Cl)ccn1)C(C)C	292835736	QDGCOTZQHXUJJN-NSHDSACASA-N	313.789	1.522	50	20	DDGD	
CCc1nn(C)c(CC)c1CC(=O)NNc1ncncc1F	294227832	ZCRSHCHXWICENV-UHFFFAOYSA-N	306.345	1.160	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2c[nH]c(C(F)(F)F)c2)n1	293268395	QORBCPXXMPIICY-UHFFFAOYSA-N	315.255	1.897	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1c[nH]nc1-c1ccncc1	299591842	QQEMLAMSJONHJN-UHFFFAOYSA-N	313.361	1.813	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)C(=O)Nc2cc(C)ns2)c1	807014456	WBPAAJHBRVHIQI-UHFFFAOYSA-N	308.338	1.981	50	20	DDGD	
C[C@@H](Sc1ccccn1)C(=O)NNC(=O)[C@H]1CCCCO1	295591007	PECMYVIWRNKICQ-GHMZBOCLSA-N	309.391	1.279	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cnc[nH]2)cc1	299686808	XKNWLGKXMGYIMZ-JTQLQIEISA-N	318.333	1.037	50	20	DDGD	
CC(C)(C)[C@@H](NC(N)=O)C(=O)NNc1cc(F)c(F)cc1F	298011067	BCMXLLUXSBOWGJ-JTQLQIEISA-N	318.299	1.630	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(OCCC(=O)NNC(=O)CC2CC2)c1	294056196	GANXXEJNAWEGLM-UHFFFAOYSA-N	321.333	1.620	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2cccc(C#N)c2)ccn1	806664367	NVVNSHXQPFOUBP-UHFFFAOYSA-N	311.301	1.428	50	20	DDGD	
O=C(NNc1ncncc1F)NC1CCN(CC2CC2)CC1	292933891	IAXFAVBRTMABBA-UHFFFAOYSA-N	308.361	1.116	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=C1CCC[C@H]1CCCF	800814148	PQXKVBSHPFXNSV-VIFPVBQESA-N	310.329	1.452	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)N=c1cc[nH]cc1)c1ccc(F)cc1	802027239	YDNNUXGXXSCWKZ-LLVKDONJSA-N	316.336	1.989	50	20	DDGD	
O=C(COc1ccc(Cl)c(F)c1)NNC(=O)c1ccccn1	814683877	TZNUONZIZBKBGB-UHFFFAOYSA-N	323.711	1.714	50	20	DDGD	
CC(=O)Nc1cccc(CC(=O)NNC(=O)CC(C)(C)C)c1	819875366	DQCLULDNEKEOCU-UHFFFAOYSA-N	305.378	1.771	50	20	DDGD	
COc1ccnc(NNC(=O)c2ncoc2C(F)(F)F)n1	816860165	ZONWNYRCJFNRPI-UHFFFAOYSA-N	303.200	1.249	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1CC[C@@H](CC(=O)O)[C@H]1C	814794166	AAZAQRXGVHWVSP-SVRRBLITSA-N	310.379	1.640	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1ccc2ccc(F)c(F)c2n1	814954946	QSFSFJMDKZOSIE-UHFFFAOYSA-N	315.283	1.929	50	20	DDGD	
O=C(C[C@H]1CCCS(=O)(=O)C1)NNc1cccc(Cl)n1	817007263	SVQZAOFPQBMZCT-SECBINFHSA-N	317.798	1.393	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2c(C)nn(C)c2Cl)cs1	812488109	PHBDIJRBZQVZCL-UHFFFAOYSA-N	311.798	1.840	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H](O)c1cccc(C(F)(F)F)c1	819118538	XCFCSSMZIHGVBH-GFCCVEGCSA-N	316.279	1.686	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2CCCCCC(=O)C2)n1	813552912	YHDOPOOTFYQSRT-LBPRGKRZSA-N	303.362	1.691	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cnc(C(F)(F)F)c(C#N)c1	815122329	JMQRDNLEKOMFTF-UHFFFAOYSA-N	315.255	1.326	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc2[nH]c3c(c2c1)CN(C)CC3	816828947	VPVBTYCJTLDAQZ-UHFFFAOYSA-N	316.361	1.547	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)CCn2ccnc2)c1	819557124	LXHTTWXQAXRPJB-UHFFFAOYSA-N	316.365	1.510	50	20	DDGD	
CC1(C)OCCC1=NNC(=O)c1nnc(O)c2ccccc12	814740651	ZUICQOSGUBXDGQ-UHFFFAOYSA-N	300.318	1.620	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])[nH]1	816528117	NEPCBAPRWUNVHD-UHFFFAOYSA-N	322.252	1.606	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)O)CCC1=NNC(=O)COc1ccccc1O	814952648	JSZNWFKYWRCDEK-MNOVXSKESA-N	320.345	1.764	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2c[nH]c3ccccc23)c(C2CC2)n1	811872519	ORJSRFAAFSROLN-UHFFFAOYSA-N	323.356	1.854	50	20	DDGD	
CC(C)N(C)CCNC(=O)NN=c1sc2ccccc2n1C	726279849	LQQOHLQCBCZKFM-UHFFFAOYSA-N	321.450	1.695	50	20	DDGD	
CS[C@@H]1CC[C@H](NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)C1	826097718	IPHJPZFVONRUCR-UKKRHICBSA-N	301.412	1.026	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)CN(C)CC(C)(C)C)C1CC1	824328772	YCIABUHZJKALPI-JTQLQIEISA-N	300.472	1.258	50	20	DDGD	
COc1ccc2c(c1NC(=O)NNC(=O)c1cc[nH]n1)CCC2	822920924	GAONJJDMUAEVLE-UHFFFAOYSA-N	315.333	1.374	50	20	DDGD	
C[C@@H]1[C@@H](CO)CCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	491137413	XNWQQRBXBYETEZ-NGVDKPIASA-N	300.358	1.919	50	20	DDGD	
C[C@]1(C(=O)NCc2cc3n(n2)CCCO3)C[C@@H]1Br	820103077	QZQSYYKVTIZLFL-CABZTGNLSA-N	314.183	1.455	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)OC(C)(C)C)c1ncc[nH]1	495905196	QXERDMFBMOJFSG-UHFFFAOYSA-N	309.370	1.555	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(Oc2ccccc2F)nc1	823897860	LKSWNGHHZFLEKY-UHFFFAOYSA-N	319.336	1.972	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNC(=O)COc1ccc(C)c(C)c1	820631316	YCJDMYDBDVOJJS-CQSZACIVSA-N	317.389	1.815	50	20	DDGD	
CCc1ncc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)s1	825749669	FPROWVKPEXOFII-UHFFFAOYSA-N	315.362	1.643	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)CCCc2ccccc2)nc1	728825489	ASJOZOAABAJMHF-UHFFFAOYSA-N	307.353	1.847	50	20	DDGD	
CCC1(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCOCC1	825164601	DSLWJYBPVJGPAP-UHFFFAOYSA-N	316.365	1.517	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)CBr)CC2(CCCC2)O1	828382998	ZJGUPXOYFPOFBT-SECBINFHSA-N	312.229	1.702	50	20	DDGD	
C[C@H](NC(=O)C(C)(C)C)C(=O)NN(C)C(=O)OC(C)(C)C	496425770	SMWLGUPPHDXSQB-VIFPVBQESA-N	301.387	1.435	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC[C@H]1c1ccc(O)cc1	828153353	KXZKZVXROZRKGC-AWEZNQCLSA-N	305.378	1.333	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)c1ccc([N+](=O)[O-])[nH]1	727740400	ASAHUJJJPQREIM-UHFFFAOYSA-N	316.317	1.707	50	20	DDGD	
COc1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1	826187494	SMVFEJPKWSXWRG-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)N[C@@H]1C[C@H]1C1CCC1	823886927	ZBEKZKYIIJTFAN-NWDGAFQWSA-N	313.365	1.477	50	20	DDGD	
CNC(=S)NNC(=O)c1ccc(OC)c(Br)c1	728314448	QMPCYXFRWXHOPG-UHFFFAOYSA-N	318.196	1.196	50	20	DDGD	
CN(C)CC(=O)NN=Cc1ccc(OCCN2CCCC2)cc1	727647786	IAAUUVZWDUIYTA-UHFFFAOYSA-N	318.421	1.173	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1Cl	495326329	JNYPZHZUMMMBKC-UHFFFAOYSA-N	320.132	1.709	50	20	DDGD	
Cn1cc(C=NNC(=O)Cc2cccnc2)c(-c2ccncc2)n1	728785999	BLBKGMMBPFSLAR-UHFFFAOYSA-N	320.356	1.570	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCc3ccc(O)cc32)o1	822678630	QEMJZYINJTYXGV-CYBMUJFWSA-N	315.329	1.925	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)c2ccccn2)cc1O	492531467	JBIWUOZUEBQCHA-SOFGYWHQSA-N	313.313	1.270	50	20	DDGD	
Cc1cc([C@@H](C)NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)ccc1F	826887333	CTIWLEOFZWODCD-WZRBSPASSA-N	323.368	1.951	50	20	DDGD	
CCOc1cccc(NC(=S)NNC(=O)C2CCOCC2)c1	905566905	CIJKHNYYUROJJE-UHFFFAOYSA-N	323.418	1.830	50	20	DDGD	
CO[C@@H](c1ccc(F)cc1)[C@H](C)NCc1cccc(B(O)O)c1	585035746	XLLMBAWNGFTVMJ-YVEFUNNKSA-N	317.169	1.371	50	20	DDGD	
CN1CCO[C@@H](C(=O)NNc2ccc(C(C)(C)C)cc2)C1=O	907271302	RVMNXNHOKUDLOT-ZDUSSCGKSA-N	305.378	1.284	50	20	DDGD	
CN(CCCNCc1cccc(B(O)O)c1)C1CCCCC1	585014438	RHLOCOBMCARYCA-UHFFFAOYSA-N	304.243	1.111	50	20	DDGD	
Cn1ncc2c1CCCC2=NNC(=O)Cc1ccccc1F	731322010	VHUASSJWDPFHQC-UHFFFAOYSA-N	300.337	1.959	50	20	DDGD	
COCCn1cc(NC(=O)[C@]2(C)C[C@@H]2Br)cn1	906259628	DRYLXAWLIVBMFT-GXSJLCMTSA-N	302.172	1.642	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1cccc(Br)n1	490814691	XCQRSVSCYPMKPA-CSKARUKUSA-N	324.178	1.904	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c2[nH]ncc12	831457391	WDXYUEAODXYNQS-VHSXEESVSA-N	317.349	1.449	50	20	DDGD	
O=C(/C=C\C1CCOCC1)NNC(=O)COCc1ccccc1	491885683	OUHKGTDXPUNZFT-SREVYHEPSA-N	318.373	1.333	50	20	DDGD	
Cc1cnn(C)c1/C=C(/C#N)C(=O)Nc1ccc(C(=O)O)cc1	491052885	XGALUXQDCFBYGN-GHXNOFRVSA-N	310.313	1.972	50	20	DDGD	
Cc1ccccc1[C@H]([C@H](C)NCc1ccc(B(O)O)o1)N(C)C	585036190	CCCBDCDWBOJDCR-GUYCJALGSA-N	316.210	1.049	50	20	DDGD	
CCOC1(C(=O)NNC(=O)c2cc(C)cs2)CCOCC1	831977220	VHQOKHXTIMFHSH-UHFFFAOYSA-N	312.391	1.403	50	20	DDGD	
C[C@@]1(c2cccs2)C[C@@H]1CNCc1ccccc1B(O)O	585024568	ZAFMMUYJWMQAKK-CZUORRHYSA-N	301.220	1.495	50	20	DDGD	
Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2S(=O)(=O)CCl	831420870	JVUKHLLGSXEPEF-MNOVXSKESA-N	301.799	1.566	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1ccc(OC(F)(F)F)cc1	833384459	JLKQOZHZCFCITR-UHFFFAOYSA-N	319.239	1.693	50	20	DDGD	
CCc1nc([C@@H](C)NC(=O)c2ccc(B(O)O)c(F)c2)cs1	584944344	CNPFWMVPNYEWEK-MRVPVSSYSA-N	322.170	1.015	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)[C@H](C)OCCOC)C1CCCC1	838702569	GKHXVBPJAMMFQF-AAEUAGOBSA-N	315.414	1.337	50	20	DDGD	
COC(=O)[C@]1(C)CCN(C(=O)[C@@]2(C)C[C@H]2Br)C1	906992156	OLBLYBNYUIDCNU-FXAINCCUSA-N	304.184	1.572	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)C1CCCC1)Oc1ccccc1	733849384	IGLGBADADCHHRT-LBPRGKRZSA-N	305.378	1.975	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NC[C@]1(C)CCC(=O)N1	837223124	JURCBGGSQMXJBB-CABZTGNLSA-N	305.216	1.581	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)CCOc2ccccc2)n1	834948586	CSLGDTGGPHASKS-UHFFFAOYSA-N	301.350	1.526	50	20	DDGD	
CCS[C@@H]1CCCC[C@H]1NCc1ccc(B(O)O)cc1F	585026287	KOCKVUSSWOGNCP-HUUCEWRRSA-N	311.231	1.659	50	20	DDGD	
Cc1cc(C)c(NC(=O)NNC(=O)[C@H]2CCCCO2)c(C)n1	836631618	DNYGNXZOVFWCSP-GFCCVEGCSA-N	306.366	1.729	50	20	DDGD	
O=S(=O)(CCl)N1CCC(OCCN2CCCC2)CC1	830760055	MBKYVIZDAXCOTE-UHFFFAOYSA-N	310.847	1.089	50	20	DDGD	
C[C@H]1CCCC[C@H]1CCNC(=O)NNC(=O)c1cnn(C)c1	735515195	KSOIPGMAEBJCKW-RYUDHWBXSA-N	307.398	1.581	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CCCc3cccc1c32)c1cccc(B(O)O)c1	584969594	OCIBFEINHSSYHP-SUMWQHHRSA-N	321.185	1.661	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](O)CCSC)c1F	837062062	YKQBMSFMWLLRSO-SNVBAGLBSA-N	316.354	1.169	50	20	DDGD	
COc1cccc(CN(CCN(C)C)S(=O)(=O)CCl)c1	831249601	XXJGNBAEDQGRSO-UHFFFAOYSA-N	320.842	1.585	50	20	DDGD	
COCC1(CNC(=O)NNC(=O)[C@@H]2CCCCO2)CCCC1	836663137	YSQKPPAWURROGE-LBPRGKRZSA-N	313.398	1.093	50	20	DDGD	
CC[C@@](C)(CNC(=O)NNC(=O)CCOc1ccccc1)OC	836262779	DNOIILWMHWKZSH-INIZCTEOSA-N	323.393	1.601	50	20	DDGD	
O=C(NN=Cc1ccoc1C(=O)O)c1cnn(-c2ccccc2)c1	739455351	ZEAQQBRGLVFUEN-UHFFFAOYSA-N	324.296	1.927	50	20	DDGD	
COc1ccccc1C(=O)NN=C(C)CCC(=O)N(C)OC	834957636	ZEDUCBLCYCWUEQ-UHFFFAOYSA-N	307.350	1.601	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)[C@@H]1CCCCO1)OCO2	834985116	GFYBMJKWACDLSF-NSHDSACASA-N	306.318	1.443	50	20	DDGD	
CNS(=O)(=O)c1ccc(C(C)=NNC(=O)C2CCCC2)cc1	914836180	DFEBXEURTNCGNZ-UHFFFAOYSA-N	323.418	1.625	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Cc1cc2ccccc2nc1O	915637375	XMDQKXKVEUOPEX-UHFFFAOYSA-N	301.346	1.676	50	20	DDGD	
O=C(NNc1cccc(Br)n1)N[C@H]1CCOC1	838528155	KMVLIRXXYICMHO-ZETCQYMHSA-N	301.144	1.259	50	20	DDGD	
CC[C@H]1CCCC[C@H]1CNC(=O)NNC(=O)C(=O)N1CCCC1	838644651	PZDMTKOQDCVTTA-STQMWFEESA-N	324.425	1.156	50	20	DDGD	
CC(C)(C)OC(=O)[C@]1(C(=O)NNc2cccnn2)CC1(C)C	832043407	FWEYTTZEHZQHQY-OAHLLOKOSA-N	306.366	1.678	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)N[C@@H]1CCCN(C)C1=O	838504277	MIDMKIKPUOFGEC-LLVKDONJSA-N	310.785	1.895	50	20	DDGD	
O=C(COc1ccc(Br)cc1)NNC(=O)C(F)F	913457920	VLZPJVBEMMNVKT-UHFFFAOYSA-N	323.093	1.240	50	20	DDGD	
CCCc1ccc(C(=O)NNC(=O)CN2CCCC2=O)s1	913730452	VYRGDXMNZNPTDD-UHFFFAOYSA-N	309.391	1.084	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1F	843644639	PIOZDRQQYMUGBM-ZYHUDNBSSA-N	324.352	1.339	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(=O)c1ccc(Cl)s1	843657794	QELGACIDDYJDRK-NKWVEPMBSA-N	316.766	1.157	50	20	DDGD	
CCc1n[nH]cc1C(=O)NNC(=O)c1cc(OC)cc(OC)c1	917912709	XRUBNGYGDLMUND-UHFFFAOYSA-N	318.333	1.064	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(-c2ccco2)nc1O	743912413	TXRAQGYDXNLWFU-UHFFFAOYSA-N	304.306	1.401	50	20	DDGD	
COCCCOc1cccc(C=NNC(=O)c2cnccn2)c1	746490010	OAORLHTYQZXEJM-UHFFFAOYSA-N	314.345	1.656	50	20	DDGD	
CO[C@@]1(C=NNC(=O)CSc2ccc(C)cc2)CCOC1	841611900	BXZCEALPEFOLAV-OAHLLOKOSA-N	308.403	1.995	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(Cl)c(OC)c(OC)c1	844781476	VSZKQZKXDKSKMA-UHFFFAOYSA-N	303.702	1.750	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1ncccc1S(C)(=O)=O	848083688	KPZPCCQRARYQRT-UHFFFAOYSA-N	311.190	1.361	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cc2ccccc2c(O)n1	918704322	YWYYSEDWTVGEFE-UHFFFAOYSA-N	313.235	1.654	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CC([C@@H](F)C(=O)O)C1	910131797	KKYRGBLATTXINV-HTQZYQBOSA-N	310.163	1.677	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N[C@H]1CCCN(O)C1=O	848139100	XLENKSTVYQUQQM-ZWXCPPHNSA-N	303.293	1.229	50	20	DDGD	
O=C(NNC(=O)c1cc(F)cc2nc(S)[nH]c12)c1ccc[nH]1	919692910	OHTUSXTXKJDLIR-UHFFFAOYSA-N	319.321	1.394	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCOc2cccc(F)c2)n1	746631335	XCNARFXHHPRTSR-UHFFFAOYSA-N	320.324	1.845	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NCC1=CCNCC1	841971954	QGIBNPUVMCYWBJ-UHFFFAOYSA-N	316.405	1.259	50	20	DDGD	
O=C(NCCc1cccc2cccnc12)NNC(=O)c1ccc[nH]1	916240594	PKUKFASDVLOFIS-UHFFFAOYSA-N	323.356	1.750	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O)NC1CC1	843774552	CJVXRPGIDCNTJL-UHFFFAOYSA-N	314.685	1.060	50	20	DDGD	
COC(=O)Cc1ccccc1CNC(=O)NNC(=O)C(C)(C)C	847467252	PTGVDRLPKJDHSQ-UHFFFAOYSA-N	321.377	1.279	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(-n2cccc2)nc1	843652451	JKOBTZPAFXIXLK-AAEUAGOBSA-N	314.345	1.058	50	20	DDGD	
CCCCCCCOc1cccc(C=NNC(=O)C(N)=O)c1	747602520	NIPVSEGRDQQHMN-UHFFFAOYSA-N	305.378	1.971	50	20	DDGD	
CC[C@@H](C)Oc1cc(C(=O)NNC(=O)c2ncccn2)ccn1	841350095	DNZUSGWYEQNCLQ-SNVBAGLBSA-N	315.333	1.124	50	20	DDGD	
CN1CC[C@@H]1CNC(=O)NNC(=O)CCCc1ccccc1	925406245	DAHYSKLSWONFKA-CQSZACIVSA-N	304.394	1.044	50	20	DDGD	
CC(C[C@H]1CCCC(=O)N1)=NNC(=O)c1cccc(N(C)C)c1	841608726	HLYGOTLOXKPVPV-CQSZACIVSA-N	316.405	1.917	50	20	DDGD	
CCOC(=O)[C@H](Cc1ccccc1)NNC(=O)[C@H]1CCCCO1	842151655	WMEYVAQEIFGIRS-LSDHHAIUSA-N	320.389	1.351	50	20	DDGD	
Cc1ccccc1[C@@H](O)CNC(=O)NNC(=O)C1CCCC1	753356233	VXXICVLNNKHYDV-AWEZNQCLSA-N	305.378	1.549	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cccc(OCC#N)c2)o1	755934525	VYWJMXPXLPXQEH-UHFFFAOYSA-N	314.301	1.957	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)c2cc[nH]n2)c(C)c1OC	853392172	JZIXJIAPPZMHRK-UHFFFAOYSA-N	302.334	1.889	50	20	DDGD	
COc1cccc(CNC(=O)NNC(=O)[C@H]2CCCCO2)c1C	852699916	GTVJYUFUTMOJQC-CQSZACIVSA-N	321.377	1.403	50	20	DDGD	
CCOC(=O)N[C@H](C(=O)NNc1ccc(Cl)cn1)C(C)C	856095187	GTBBQJBNBPWPOC-NSHDSACASA-N	314.773	1.949	50	20	DDGD	
C[S@@](=O)c1cccc(NC(=O)NNC(=O)c2ccccn2)c1	756523254	BJKLBDOBYWFALM-JOCHJYFZSA-N	318.358	1.286	50	20	DDGD	
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NNc1ccc(C)nn1	852604118	BEYTVLRSDWCNPA-QWHCGFSZSA-N	313.361	1.976	50	20	DDGD	
COC(=O)[C@@H]1CCN2C(=O)N(CCSSC)C(=O)[C@@H]2C1	925339062	PSONLZBZWVIFFJ-BDAKNGLRSA-N	318.420	1.213	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@H]2CC2(Cl)Cl)o1	752363149	RSWYFDFDRNYOKG-ZETCQYMHSA-N	306.149	1.726	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ncc[nH]2)cc1	854221023	DYTYFPCDESGZKL-JTQLQIEISA-N	318.333	1.037	50	20	DDGD	
CC1(C)CCc2cc(C=NNC(=O)C(=O)NC3CC3)ccc2O1	920373149	TVRRMYMOTZZGHM-UHFFFAOYSA-N	315.373	1.519	50	20	DDGD	
CCn1nc(C(=O)NC[C@@]2(C)C[C@@H]2Br)ccc1=O	857398321	QERMTBBPZMATRH-JOYOIKCWSA-N	314.183	1.167	50	20	DDGD	
Cc1c(C(=O)NNC(=S)NCC2CCC2)cnn1CC(C)C	855090250	DJHSXGWGOCZODP-UHFFFAOYSA-N	323.466	1.757	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCC(C)(C)C[C@H](C)O)c1	858705947	JXHGCEJQPYYOJB-JTQLQIEISA-N	313.423	1.798	50	20	DDGD	
CCCn1nc(C)c(C(=O)NNc2nccnc2OC)c1C	857540179	XMHJWACWYUDRPJ-UHFFFAOYSA-N	304.354	1.465	50	20	DDGD	
C[C@@H]1CC[C@@H](CCC(=O)NNC(=O)c2cccc(Cl)n2)O1	857325701	HQSJHRONEICSPU-ZJUUUORDSA-N	311.769	1.844	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H]2CCNC2=O)c(C(F)(F)F)c1	854337613	ZXDJLILWEXFXGL-QMMMGPOBSA-N	312.251	1.156	50	20	DDGD	
Cc1nc(S(=O)(=O)NC[C@]2(C)C[C@@H]2Br)cn1C	856756934	UAQLHDXSNBYGKI-WPRPVWTQSA-N	322.228	1.180	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2cc(F)ccc2F)[C@@H]1OC	922068471	JLVWCGXLLORWOA-XQQFMLRXSA-N	315.320	1.783	50	20	DDGD	
CCOc1ccc(C=NNC(=O)c2cc[nH]n2)cc1OCC	853392436	LBECAPJEXFDNAW-UHFFFAOYSA-N	302.334	1.971	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNc2ccccc2S(C)(=O)=O)O1	757382470	OKPGUFXZQDSZJX-PWSUYJOCSA-N	312.391	1.491	50	20	DDGD	
C[C@@H](OC[C@H]1CCCCO1)C(=O)NNc1ncccc1[N+](=O)[O-]	759297959	QKNARKMUFOOZAM-GHMZBOCLSA-N	324.337	1.407	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](N(C)c2ccccc2)C1	852655552	YDDFCHUGXZSDQY-UKRRQHHQSA-N	318.421	1.143	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C)c1cc[nH]n1	853373462	WUJATYVBWRHHCL-DGCLKSJQSA-N	316.365	1.151	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@@H]2CCCOC2)C[C@@H]1Br	856826189	TXXCVCXRTVCAEM-JBLDHEPKSA-N	305.216	1.886	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc2c(c1)CCCC(=O)N2	756382763	UBLDYEIYOLYJEP-UHFFFAOYSA-N	320.349	1.151	50	20	DDGD	
Nc1ncc([N+](=O)[O-])cc1C(=O)NNc1cccnc1Cl	758321833	SKOHVPBQEHXUSI-UHFFFAOYSA-N	308.685	1.377	50	20	DDGD	
Cc1cc(C)c(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)s1	868434519	DUVANAQOCZOQHL-LLVKDONJSA-N	316.448	1.471	50	20	DDGD	
Cc1cc2cc(NC(=O)C(=O)NNC(=O)CC3CC3)ccc2[nH]1	764142097	KXPALQAIZCQINQ-UHFFFAOYSA-N	314.345	1.362	50	20	DDGD	
Cc1oc(-c2ccccc2F)nc1C(=O)N1CC[C@@H](B(O)O)C1	864230674	CDGUTZAMWJYPRS-SNVBAGLBSA-N	318.113	1.478	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNCC(F)(F)C(F)(F)F)nn1	863099819	LUGMOBAZYKMEMH-UHFFFAOYSA-N	315.246	1.465	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)CCCn1ccnc1	862287502	UILTXTSWBPJNII-UHFFFAOYSA-N	316.361	1.963	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)C2(C)CCOCC2)n1	762911966	AOPJSQBTFVWCBI-UHFFFAOYSA-N	307.398	1.583	50	20	DDGD	
C=C[C@H](CC)CC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1	930163484	RTMMGRYKACPNQT-LLVKDONJSA-N	324.402	1.453	50	20	DDGD	
COC[C@@H](C)NC(=O)NNC(=O)c1ccc(Cl)cc1OC	769726374	XYYSLGUUPVXVHB-MRVPVSSYSA-N	315.757	1.328	50	20	DDGD	
CN(C)c1ccc2c(c1)NC(=O)C2=NNC(=O)c1ccc(N)cc1	761745377	WRWHGNBEKYMUBZ-UHFFFAOYSA-N	323.356	1.421	50	20	DDGD	
CC(=O)NCc1ccc(C(=O)NNc2ncc(F)cn2)cc1	760907778	ZHQMCYWJRQZIKV-UHFFFAOYSA-N	303.297	1.009	50	20	DDGD	
COc1ccc(OC(F)F)c(NCc2ccccc2B(O)O)c1	864026586	RWOUOEJXFJQRRH-UHFFFAOYSA-N	323.104	1.589	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=Cc1ccc(Cl)o1	864322859	DFBITCHUGBXMMX-UHFFFAOYSA-N	306.709	1.208	50	20	DDGD	
CS(=O)(=O)Nc1ccc(F)cc1C(=O)N1CC=C(C#N)CC1	767178368	QWLXERHTNPOYJW-UHFFFAOYSA-N	323.349	1.493	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1CCc2ccc(Cl)cc21	863892077	LRTZLVMBEYUTMA-MRXNPFEDSA-N	301.582	1.797	50	20	DDGD	
Cc1cc(Cl)nc(C(=O)NNC(=O)NCC(F)(F)F)c1	935802383	HMPHMUUXUDTHHU-UHFFFAOYSA-N	310.663	1.550	50	20	DDGD	
CC[C@H](C)n1nc(NC(=O)C(=O)NNC(=O)CC(C)C)cc1C	763885520	MWWNPSCQSGCVHM-JTQLQIEISA-N	323.397	1.295	50	20	DDGD	
CCCN(CCC)C(=O)CCC(=O)NN=c1cc[nH]c(C)c1	862511352	MCWRCHGLOOOKHS-UHFFFAOYSA-N	306.410	1.684	50	20	DDGD	
CCC1(CNC(=O)NNc2ccccc2S(C)(=O)=O)CC1	765816632	FSTHAFVXOVSCFP-UHFFFAOYSA-N	311.407	1.906	50	20	DDGD	
Cc1csc(C(=O)NNC(=S)NCCCN(C)C)c1	863204812	LFSGJEWXSDJUJI-UHFFFAOYSA-N	300.453	1.117	50	20	DDGD	
CC[C@]1(C(=O)NNc2cc(F)c(F)c(F)c2)CCNC1=O	866879710	DWIJQJOGWQMZSI-ZDUSSCGKSA-N	301.268	1.463	50	20	DDGD	
CC[C@H](C#N)Oc1cccc(CNCc2ccccc2B(O)O)c1	863887991	BYEUZDMOKYKDKU-MRXNPFEDSA-N	324.189	1.337	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)NOCC(F)(F)F	765989381	ZVZWEVHHNVHSMV-UHFFFAOYSA-N	307.257	1.811	50	20	DDGD	
O=C(CN1O[C@H]2C=C[C@H]1CC2)NNC(=O)c1cccc(Cl)c1	879802789	WCTKMPLEPFWCIR-STQMWFEESA-N	321.764	1.435	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNC(=O)c1nc2ccccc2s1	874914441	XAOPUXOVMZGPDF-CQSZACIVSA-N	302.359	1.997	50	20	DDGD	
C=CCCC[C@@H](C)NC(=O)NNC(=O)C(=O)Nc1ccccn1	776083959	DMTZIYNRVFHVAW-LLVKDONJSA-N	319.365	1.095	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H](OCC)C2CC2)c1	874951192	BOSKZKXUBCHNJR-AWEZNQCLSA-N	317.414	1.801	50	20	DDGD	
C=CC(C)(C)CC(=O)NNC(=O)COc1ccccc1OC	877900620	UWMMEFYJQXVONP-UHFFFAOYSA-N	306.362	1.824	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)CC(C)(C)C)c(F)c1	773822457	LHVSBOSWIMUJPD-UHFFFAOYSA-N	310.325	1.810	50	20	DDGD	
CCc1nc(NC(=O)C(=O)NNc2ncc(F)cn2)sc1C	1116858042	GXAQEDFQHWHBQV-UHFFFAOYSA-N	324.341	1.025	50	20	DDGD	
CCCCSCC(=O)NNC(=O)CNC(=O)OC(C)(C)C	778443265	OEKYBMXSMDSHPF-UHFFFAOYSA-N	319.427	1.192	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)c1nc2ccccc2s1)C1CC1	874914332	SVAPJDKIQIJNIH-HNNXBMFYSA-N	319.386	1.872	50	20	DDGD	
N[C@@H]1CCC[C@H](NC(=O)NNC(=O)c2ccccc2Cl)C1	1119379887	MZOWGGZACUVWDG-ZJUUUORDSA-N	310.785	1.554	50	20	DDGD	
CN1C(=O)CCc2cc(C=NNC(=O)CC(F)(F)F)ccc21	774372145	ANAJEXFXJYVZFB-UHFFFAOYSA-N	313.279	1.998	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	772849014	JGOUZKPDNVRJHY-JTQLQIEISA-N	320.324	1.271	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)NCc1nnc(C)n1C	1119673892	ZQGGCKFWUKIYPL-UHFFFAOYSA-N	308.773	1.912	50	20	DDGD	
COCc1nc(C(=O)NNc2cccc3c2CCCC3)no1	775403091	LOJJHYZSNFKIIR-UHFFFAOYSA-N	302.334	1.852	50	20	DDGD	
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1cnn(C)c1C	778542182	VHRYLJHNPLFROK-UHFFFAOYSA-N	317.305	1.496	50	20	DDGD	
O=C(NCC1Cc2ccccc2C1)NNC(=O)C1CCOCC1	883425209	OLUIGQXWWUQVQR-UHFFFAOYSA-N	317.389	1.158	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)c1ccc(CC)cc1	772086116	AQXPFUVZJIROPS-VXGBXAGGSA-N	320.389	1.842	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNc2ncc(F)cn2)c(F)c1	775600389	IHNLWWZKUMAZDQ-UHFFFAOYSA-N	323.259	1.690	50	20	DDGD	
C[C@@H](O)c1ncc(C=NNC(=O)CCN2CCCCCC2)s1	773025055	MTQQRAYYQVUVCM-GFCCVEGCSA-N	324.450	1.913	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)COc2ccccc2F)c(C)n1	777276315	SIHMYYXAXBVXCA-UHFFFAOYSA-N	318.308	1.073	50	20	DDGD	
COc1cccc([C@H](O)CNS(=O)(=O)CCCCl)c1	881916293	KLCWLSVHPMFCPC-GFCCVEGCSA-N	307.799	1.277	50	20	DDGD	
CCc1ccc(NC(=S)NNC(=O)Nc2noc(C)n2)cc1	781112624	UDMJFVDGKZQBDN-UHFFFAOYSA-N	320.378	1.964	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@@H]1c1cccs1)c1cccnn1	883849362	AISXFKLMZRACTN-LLVKDONJSA-N	317.374	1.730	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)C1CCOCC1	883060555	PQECHWDAYXNQGX-KGLIPLIRSA-N	306.337	1.503	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(OC)c2cccnc12	785865154	WIATWJUJJRUZCO-UHFFFAOYSA-N	317.349	1.941	50	20	DDGD	
O=C(NN=C1CCOc2ccc(Cl)cc21)C(=O)NC1CC1	783816333	MSVMFFXLBBXVFW-UHFFFAOYSA-N	307.737	1.221	50	20	DDGD	
O[C@H](Cc1cn(/C=C\CBr)nn1)c1ccccn1	881294758	CBUSIWZGXPXRDI-AUXFESMGSA-N	309.167	1.815	50	20	DDGD	
C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)NNC(=O)c1cccnn1	883852631	RTFHASPPVPSSGJ-HTQZYQBOSA-N	317.271	1.104	50	20	DDGD	
COc1ccc(NNC(=O)c2cn(C)nc2C(F)(F)F)nc1	781515425	AKAPUNFCHRFPHX-UHFFFAOYSA-N	315.255	1.599	50	20	DDGD	
N#CCCn1ccc(NC(=O)NNc2ncncc2Cl)n1	782045237	MSOVLQQUVNNCKK-UHFFFAOYSA-N	306.717	1.389	50	20	DDGD	
Cc1nnc(-c2ccc(NC(=O)NNC(=O)C(C)C)cc2)o1	782582765	ZSKOJKVQLMOQFZ-UHFFFAOYSA-N	303.322	1.854	50	20	DDGD	
C#CCSCC(=O)NNC(=O)CNc1ccc(C)cc1C	895557467	RGMIKGIGWRSPIZ-UHFFFAOYSA-N	305.403	1.229	50	20	DDGD	
C[C@H]1CCCN1CCNC(=O)NNC(=O)c1ccc(Cl)cc1	897474096	LQXUUMVYWILCRA-NSHDSACASA-N	324.812	1.768	50	20	DDGD	
O=C(Cc1ccc2c(c1)OCCO2)NNc1ncncc1Cl	781834150	QLXIUAJSYGHRMR-UHFFFAOYSA-N	320.736	1.587	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCc2ccco2)c1	780816248	WGJWNOIGQPFONZ-UHFFFAOYSA-N	303.318	1.935	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=Cc1cc(Cl)cs1	782248641	CSGWJDNVGSSOID-UHFFFAOYSA-N	322.777	1.677	50	20	DDGD	
CO[C@@H](CC(=O)NNC(=S)NC(C)(C)C)C(F)(F)F	899998093	FICHZCBQQWUUFK-LURJTMIESA-N	301.334	1.248	50	20	DDGD	
CNc1ccc(C(=O)NNc2ccc(OC)cn2)cc1[N+](=O)[O-]	781526316	FYPFCHMSBWTNPW-UHFFFAOYSA-N	317.305	1.797	50	20	DDGD	
O=S(=O)(CBr)N[C@@H]1C[C@H]1c1cccc(F)c1	782424828	IXEPISHJWNKDGJ-VHSXEESVSA-N	308.172	1.953	50	20	DDGD	
CN(C(=O)/C(C#N)=C/c1ccc(O)cc1)[C@@H]1CCCCNC1=O	787296513	NVZVRLLJAFAEKW-NRMKIYEFSA-N	313.357	1.426	50	20	DDGD	
CCC(=NNC(=O)CNc1cccc(OC)c1)c1cn[nH]c1	788977251	NISDPAWPEKJZBD-UHFFFAOYSA-N	301.350	1.761	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)CC3OCCO3)cc2C1	792825776	BAJAEVQWKUXMKF-SECBINFHSA-N	324.402	1.397	50	20	DDGD	
C[C@@H]1CN(Cc2ccccc2)CC1=NNC(=O)C[n+]1ccccc1	794457815	RKDOLDXRUPQSNF-MRXNPFEDSA-O	323.420	1.598	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2Cc3ccc(F)cc32)n1	793600833	YXXSJNVWCDBAJW-GFCCVEGCSA-N	302.309	1.716	50	20	DDGD	
O=C(NNc1ncccc1Cl)c1ccnn1CC(F)F	790717997	GCKPOLGOMQYRMA-UHFFFAOYSA-N	301.684	1.954	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1CCC(F)(F)C1	794895348	MKUCDUVDTNQVHM-SNVBAGLBSA-N	322.315	1.839	50	20	DDGD	
CN1CCCC(C)(C)[C@@H]1CNC(=O)NNC(=O)C1CCCC1	790528479	QFWXNNOKXQAJAI-ZDUSSCGKSA-N	310.442	1.627	50	20	DDGD	
CSc1ccc(NC(=O)NNc2nc3ccccn3n2)nc1	792360505	SRNPYSWIVJHYSV-UHFFFAOYSA-N	315.362	1.995	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)CNc1ccccc1OC	794905383	BHSKHINWQJJXPU-XHDPSFHLSA-N	323.393	1.316	50	20	DDGD	
C[N+](C)(C)CC(=O)NN=C1COc2cc(Cl)cc(Cl)c21	794457753	VCDQFOAAUFEBBC-UHFFFAOYSA-O	317.196	1.912	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H](O)C1CCCCC1	792798220	MUVPRSKUXVCRRF-INIZCTEOSA-N	320.389	1.326	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cn1ccc2ccccc2c1=O	790548569	VYKNYBXWEDEPTE-UHFFFAOYSA-N	316.361	1.132	50	20	DDGD	
Cc1cccnc1NNC(=O)CCn1nnc2ccccc2c1=O	791218976	HTKIWEOVZCETSW-UHFFFAOYSA-N	324.344	1.028	50	20	DDGD	
C[C@@H]1COCCC1=NNC(=O)c1csc(N2CCOCC2)n1	794484066	WGTNXHRFIJCGRH-SNVBAGLBSA-N	324.406	1.122	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1coc(C(N)=O)c1	798310868	XQLCILKIKOJIFQ-UHFFFAOYSA-N	302.290	1.153	50	20	DDGD	
COc1ccnc(NNC(=O)c2ncoc2[C@H]2CCCO2)n1	1318576369	GJXHBLHKSPNANM-MRVPVSSYSA-N	305.294	1.082	50	20	DDGD	
COc1ccccc1C1(C(=O)NNC(=O)NCC2CC2)CCC1	1318100175	TXLMOTJUXURQPO-UHFFFAOYSA-N	317.389	1.857	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2ccc(C(C)(C)C)nn2)CCN1C	1319030772	YCEZMINXDHHXLA-VXGBXAGGSA-N	320.441	1.883	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)COc1ccccc1F)n1cccc1	1319825461	ZMHZURQUTVNKBI-NSHDSACASA-N	305.309	1.415	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CCN3CCC[C@H]3C2)c1	1329978842	LJJZDLNHBJWKOA-NEPJUHHUSA-N	322.434	1.627	50	20	DDGD	
Cc1cc(Br)oc1C(=O)NNC(=S)NC(C)C	1321707791	BXVQXYUKNMRXSU-UHFFFAOYSA-N	320.212	1.868	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)c1cnc(C2CC2)[nH]1	1321505097	RUEVPZQVVFYPMA-UHFFFAOYSA-N	316.386	1.912	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc(OC(F)F)c(F)c1	1324912268	HFTLJPZWZQZSIZ-UHFFFAOYSA-N	321.324	1.944	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccccc2Cl)n1	1329942545	OQGRYRKCXDLBQR-UHFFFAOYSA-N	300.705	1.681	50	20	DDGD	
CCn1ncc(C)c1NC(=O)NNC(=O)c1ccc(OC)cc1	1327880247	ZGSYYPJUBKVJJO-UHFFFAOYSA-N	317.349	1.687	50	20	DDGD	
CSc1cccc(F)c1C(=O)NNc1nnc(C)c(O)n1	1339843474	AJSSQLSQQITADY-UHFFFAOYSA-N	309.326	1.504	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cc(O)nc(C2CC2)c1	1256495488	JBTCLPIPNXZOBJ-UHFFFAOYSA-N	318.255	1.171	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1c[nH]c(Br)c1	1338564692	JRXQNMLUYOEPFO-UHFFFAOYSA-N	316.546	1.978	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H]1CSC(c2ccccc2)=N1	1333085172	HCCUMMRUBWCWAQ-NSHDSACASA-N	322.459	1.452	50	20	DDGD	
CCc1nc(C=NNC(=O)C2CCOCC2)c2ccccn12	1349838796	JQZCSTRKHZZPAB-UHFFFAOYSA-N	300.362	1.773	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CO[C@@H]2CCOC2)ccc1C	1351218645	XTIJEKNIWQAPEQ-GFCCVEGCSA-N	308.334	1.030	50	20	DDGD	
Cc1ccc(NNC(=O)NCCOC2CCSCC2)nc1	1358213123	KKLHVGGFWGDAMU-UHFFFAOYSA-N	310.423	1.928	50	20	DDGD	
O=C(Cc1ccsc1)NN=C1CCCn2nc(C(=O)O)cc21	1608369037	MSBOXDNPAJEFRM-UHFFFAOYSA-N	318.358	1.500	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@H](O)c2cccnc2)c1F	1602446614	CHGHRKHIOXYUQT-LBPRGKRZSA-N	305.265	1.096	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ccc(C(=O)O)s2)n1	1601220483	IBNAJCYSVNFBCC-UHFFFAOYSA-N	313.726	1.229	50	20	DDGD	
O=C(NNC(=O)c1ccsc1)c1ccc(-c2nn[nH]n2)cc1	1606854575	YTYYTRMSYDOPHR-UHFFFAOYSA-N	314.330	1.003	50	20	DDGD	
Cc1nnc(O)c(C(=O)NNc2ccc(C(=O)O)c(F)c2)c1C	1600667776	FNLVBUYWWVLQDN-UHFFFAOYSA-N	320.280	1.393	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCc1cc(C(=O)O)co1	1601045499	FBKLGALHDQWRPM-VZUCSPMQSA-N	312.281	1.907	50	20	DDGD	
Cc1c(NNC(=O)c2ccnc3ccnn23)cccc1C(=O)O	1600053956	ATYNZNVTHJHVKX-UHFFFAOYSA-N	311.301	1.493	50	20	DDGD	
Cc1ccc(C(=O)NNC(=S)NCC2CCC2)cc1C(=O)O	1600341063	LLOYWCGQQRVQOI-UHFFFAOYSA-N	321.402	1.602	50	20	DDGD	
O=C(O)C12CCC(C(=O)NNc3ncccc3[N+](=O)[O-])(CC1)C2	1601731043	SAEDSYJLRZTHHE-UHFFFAOYSA-N	320.305	1.468	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)N[C@@H]1C[C@@H]2CC[C@H]1N2	1601556841	MGQBNNUAQPTOSH-UPZJHPNMSA-N	308.313	1.043	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1F	1605632133	AVNROTUADOYBFK-MDWZMJQESA-N	320.320	1.974	50	20	DDGD	
CCc1cnc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)s1	1549319078	GGJPTVRODUVSPC-ZYHUDNBSSA-N	308.407	1.019	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@H]1C=NNC(=O)c1ccccn1	1552447223	FHDOFXBGNKKWTN-WFASDCNBSA-N	313.361	1.699	50	20	DDGD	
CCn1cc([C@H]2OCC[C@@H]2C=NNC(=O)Cc2cc[nH]n2)cn1	1552452378	KJWMMYAYPSICAJ-ABAIWWIYSA-N	316.365	1.048	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@@H]2C=NNC(=O)c2ccccn2)cn1	1552447693	KCYZYVXPQCXMSF-IUODEOHRSA-N	313.361	1.791	50	20	DDGD	
O=C(O)[C@@]1(C(=O)NNc2cccc(C(F)(F)F)c2)CCCO1	1574633603	OWLNMONCSWVAKW-LBPRGKRZSA-N	318.251	1.782	50	20	DDGD	
CCOC(=O)c1cnn(-c2ccc(C(=O)NNC)cc2)c1C	1578062947	KGRZEGQUDYUXKG-UHFFFAOYSA-N	302.334	1.222	50	20	DDGD	
CC(=O)NCCCCCC(=O)NNc1cccc(C(=O)O)c1C	1589135872	CAPKECOXYSODTI-UHFFFAOYSA-N	321.377	1.833	50	20	DDGD	
C/C(=C/C(=O)NNc1cccc(-c2nn[nH]n2)c1)c1cnccn1	1588766307	PXIRFLGMDUXPQO-YFHOEESVSA-N	322.332	1.203	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)COC	1847863096	QXBJEJKAGRGBCT-RNJOBUHISA-N	316.829	1.488	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN[C@@H](C(=O)O)c1cccc(Cl)c1	1594643255	DXXVETHJVMLREW-XXILOJSOSA-N	312.753	1.512	50	20	DDGD	
O=C(O)CC[C@@H]1C[C@@H](C(=O)NNC(=O)Nc2ccccc2)CO1	1595006888	WPCNZKTYOSFWGB-ZYHUDNBSSA-N	321.333	1.109	50	20	DDGD	
COC1(C(=O)NNc2cccc(C(=O)O)c2F)CCOCC1	1599063317	HSTKAOXOSVKECM-UHFFFAOYSA-N	312.297	1.163	50	20	DDGD	
Cc1nsc(C=NNC(=O)CNc2ccccc2)c1C(=O)O	1776016473	XWIBEMZXGROIOI-UHFFFAOYSA-N	318.358	1.712	50	20	DDGD	
N#Cc1ccc(C(=O)O)c(C=NNC(=O)[C@H]2CCCCO2)c1	1776077558	DWDXIPHBUGOVLV-CYBMUJFWSA-N	301.302	1.276	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NN=Cc1sc(Cl)cc1C(=O)O	1776102317	MYBMJUUUXGESLZ-XPUUQOCRSA-N	316.766	1.975	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cn2cccn2)cc1)c1ccncc1	14203323	COKQLKLDESLWKC-UHFFFAOYSA-N	321.340	1.401	50	20	DDGD	
Cc1occc1C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	16515230	SDHYGNLFDFKYLX-UHFFFAOYSA-N	310.313	1.849	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCCCCN1CCCCC1	161609707	FPMRMMABHGDRLN-UHFFFAOYSA-N	314.430	1.010	50	20	DDGD	
CC(=O)CCCCCCC(=O)NNc1ncnc2nc[nH]c12	162273080	GPJGXPRTWGLYCO-UHFFFAOYSA-N	304.354	1.726	50	20	DDGD	
N[C@@H]1CC[C@H](C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)C1	158053107	ZCEVRAMRFZJFQW-GXSJLCMTSA-N	321.768	1.961	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](CC(=O)OC)c1cccs1	158776730	UYQQEFQGCUBWKB-JUDLJHIGSA-N	308.359	1.912	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@H]2CC[C@@H]3CCCC[C@@H]3C2)cn1	152373428	WOGSMQSOIGZRBJ-XQQFMLRXSA-N	304.394	1.788	50	20	DDGD	
CC(=O)NCC(=O)NNc1ccc(F)cc1Br	153684407	GCVAMLRFTHDCFR-UHFFFAOYSA-N	304.119	1.167	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)n1	155176559	MROFLTNWHSDQNS-TUAOUCFPSA-N	305.382	1.533	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C(C2CC2)C2CC2)cc1	156199487	PZLKBHSUHWTPIR-UHFFFAOYSA-N	317.389	1.691	50	20	DDGD	
NC(=O)[C@H](NS(=O)(=O)CCCCCl)c1ccc(F)cc1	155271347	QHXSLEXJPOIQIL-LLVKDONJSA-N	322.789	1.291	50	20	DDGD	
CN(C)C(=O)N1CCC(C(=O)NNc2cccc(F)c2)CC1	154798702	MOOWSOHYQHPIJZ-UHFFFAOYSA-N	308.357	1.662	50	20	DDGD	
O=S(=O)(NCCCn1cncn1)c1ccc(CCl)cc1	381892165	JTIYTRGNTMQGML-UHFFFAOYSA-N	314.798	1.386	50	20	DDGD	
C#CCN(CC(=O)NCC(Cl)Cl)C(=O)OC(C)(C)C	854450692	GCJAZZMIHKIJPO-UHFFFAOYSA-N	309.193	1.777	50	20	DDGD	
COc1cc(C(=O)NNC(=S)NC2CC2)ccc1OC(C)C	7679036	ZZGNHPVMWKKXKU-UHFFFAOYSA-N	323.418	1.754	50	20	DDGD	
COc1ccc(Br)c(C(=O)NNC=C(C#N)C#N)c1	103057503	XFMUCEUQGKNLTJ-UHFFFAOYSA-N	321.134	1.623	50	20	DDGD	
C=C[C@@H](CC(=O)NNC(=O)N1CCOCC1)c1ccccc1	179199859	STPSSMMCUFHVHJ-ZDUSSCGKSA-N	303.362	1.419	50	20	DDGD	
O=C(NNc1ccc(F)cc1)c1cccnc1N1CCOCC1	54567806	YLELDSIDDBAIEJ-UHFFFAOYSA-N	316.336	1.814	50	20	DDGD	
CCCN(C[C@@H](C)CBr)[C@@H]1CCS(=O)(=O)C1	133626236	VWYNALKLELIEKI-WDEREUQCSA-N	312.273	1.917	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CCCc2ccccn2)c1	104900002	BJBCSNDKEFSIKO-UHFFFAOYSA-N	308.341	1.737	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCc1ccccc1Cl	103504363	XNODNQAPBWKSFZ-UHFFFAOYSA-N	318.764	1.808	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)c1ccc[n+]([O-])c1	53605070	BSSRGSCNXIFKSZ-UHFFFAOYSA-N	321.336	1.477	50	20	DDGD	
COCCCOc1ccc(C(=O)NNc2cccnn2)cc1	176164588	CNIYZJAQFDDCAE-UHFFFAOYSA-N	302.334	1.649	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)CNC(=O)OC(C)(C)C)o1	58272799	YBSLFDRVDVWYFB-UHFFFAOYSA-N	323.353	1.637	50	20	DDGD	
CCOc1ncccc1C(=O)NNC(=O)Cc1ccc(F)cc1	24302637	WZHJUSDVURCMKH-UHFFFAOYSA-N	317.320	1.623	50	20	DDGD	
CCCC(=O)N1CCCC[C@@H]1C(=O)NNc1nc(C)cc(C)n1	106735623	CHLIWERGWNAXKV-CYBMUJFWSA-N	319.409	1.718	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1[nH]c(C)c(C(=O)OCC)c1C	64882210	QCYAWBBAVXIDCF-UHFFFAOYSA-N	324.381	1.552	50	20	DDGD	
O=C(CCC1CCOCC1)NNC(=O)CNc1ccccc1	175105914	KHFKWULSHUHQCE-UHFFFAOYSA-N	305.378	1.453	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cccc(OC(F)F)c1	103041777	USUPNQOZEGNBQZ-UHFFFAOYSA-N	314.288	1.476	50	20	DDGD	
C#CCCCCC(=O)NNC(=O)COc1ccccc1CC	179871568	VEKNRFGTCGQMET-UHFFFAOYSA-N	302.374	1.969	50	20	DDGD	
NC(=O)NCCCCC(=O)NNc1cccc2cnccc12	178497970	XRENMQOMAOROLF-UHFFFAOYSA-N	301.350	1.517	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1cc(C#N)c[nH]1	175154438	PKVOZTNEUWWKTR-UHFFFAOYSA-N	318.720	1.623	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cc(-c3ccco3)[nH]n2)cc1	61464282	RPSFFOVYTIWPGO-UHFFFAOYSA-N	321.296	1.616	50	20	DDGD	
O=C(Cn1cc([N+](=O)[O-])ccc1=O)NNc1ccc(F)cc1F	113430384	GMGNGHBMNOIVHX-UHFFFAOYSA-N	324.243	1.178	50	20	DDGD	
CC(C)c1nc(C(=O)NNC(=O)NCC(F)(F)F)cs1	171103387	JNZCIVKOEBFNQE-UHFFFAOYSA-N	310.301	1.773	50	20	DDGD	
COc1ccc(CCNC(=S)NNC(=O)NCC2CC2)cc1	64937172	NGRSOTZIYHZQBP-UHFFFAOYSA-N	322.434	1.326	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNC(=O)c1cccc(Cl)c1	179242858	UZFZRPNKBAPVQM-UHFFFAOYSA-N	312.753	1.690	50	20	DDGD	
CC(C)Cc1nc(C(=O)NNC(=O)c2cccn2C)cs1	63636824	PBNCJWNFLJACGX-UHFFFAOYSA-N	306.391	1.755	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(C)n(Cc2ccco2)c1C	65190850	HHFUWMRLLCVSTQ-UHFFFAOYSA-N	304.350	1.710	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNC(=O)c1cccc(Cl)c1	179746413	BWSAORLLCIVQLD-UHFFFAOYSA-N	306.753	1.711	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@@H]1C[C@H]1c1cccc(F)c1	67732131	YONRSMKVBQQVGI-XQQFMLRXSA-N	307.325	1.191	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)NC2CCCC2)cc1	31025359	XRPHWNOCIIPHME-UHFFFAOYSA-N	307.350	1.347	50	20	DDGD	
CS(=O)(=O)Cc1ccccc1NC(=O)NNc1ccncc1	183077513	LPIITLDJTDYRCN-UHFFFAOYSA-N	320.374	1.775	50	20	DDGD	
Cc1nc(CCNC(=O)NNC(=O)c2ccc[nH]2)sc1C	120647301	OMBTVJCHESROQI-UHFFFAOYSA-N	307.379	1.275	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cccc(-c2ncco2)c1	183367619	IDQNKVDVBDBDKV-UHFFFAOYSA-N	304.306	1.531	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1c(F)cc(F)cc1F	124779184	FNHMIAUKFNTDHM-ZCFIWIBFSA-N	317.267	1.236	50	20	DDGD	
CCCNC(=O)/C(C#N)=C/c1csc(N(CC)C(C)=O)n1	73116791	NXAQZOOQBXMMRY-YRNVUSSQSA-N	306.391	1.949	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)c1ccc(C#N)cc1)C(C)(C)C	73148174	GJANXPVAJMWWKC-CYBMUJFWSA-N	318.377	1.563	50	20	DDGD	
CCc1ncsc1C(=O)NNC(=O)CNc1ccc(C)cc1	123300239	OAMLONDOOQRXBD-UHFFFAOYSA-N	318.402	1.887	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)C[C@@H](C)Cc1cccc(F)c1	72817953	QQWURRNCXWBPGZ-NSHDSACASA-N	323.368	1.066	50	20	DDGD	
CCC1(CC)NC(=O)N(CC(=O)NNc2cccc(C)c2)C1=O	78240123	GHWPUPPTEIUHCF-UHFFFAOYSA-N	318.377	1.549	50	20	DDGD	
Cc1ccc(C)c(NC(=O)C(=O)NNC(=O)c2ccc(C)o2)c1	129635438	HQZQBEYKYVOYBM-UHFFFAOYSA-N	315.329	1.605	50	20	DDGD	
C[C@H](C(=O)NNc1ncc(Cl)cc1Cl)S(C)(=O)=O	186953367	RSYAUBLSKDBZOL-RXMQYKEDSA-N	312.178	1.265	50	20	DDGD	
CNC(=O)C(C)(C)CNC(=O)/C(C#N)=C\c1ccc(F)cc1	183693199	AFMMLLINBSXCHH-WQLSENKSSA-N	303.337	1.621	50	20	DDGD	
CCn1ncc2ccc(NC(=O)C(=O)NNc3ccccn3)cc21	181403737	BEFORGYFFFVSFJ-UHFFFAOYSA-N	324.344	1.533	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)CC2CCCC2)nc1C	182715365	CFBBZQRTGLFNOJ-UHFFFAOYSA-N	306.366	1.985	50	20	DDGD	
CCc1ccc([C@@H](C)CC(=O)NNC(=O)Cc2cc[nH]n2)cc1	186155748	KECHEEHPDUGOKG-LBPRGKRZSA-N	314.389	1.856	50	20	DDGD	
O=C(NNC(=O)c1n[nH]cc1[N+](=O)[O-])c1cc2ccccc2o1	132863296	NADJBZUGSVMKPI-UHFFFAOYSA-N	315.245	1.139	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2c(Cl)cccc2Cl)CC1	133516813	CNBRDONKUGZLPY-UHFFFAOYSA-N	302.161	1.963	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1ccc(C(=O)N(C)C)cc1	42624327	INKPVZWOQCNSLD-SDNWHVSQSA-N	301.346	1.449	50	20	DDGD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NNc1ccc([N+](=O)[O-])cc1	133902044	SADYBDBRUDQYNS-GWCFXTLKSA-N	309.322	1.622	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@H](c2ccco2)N(C)C)n1	43137973	KZDAJRXBZYSOSK-SNVBAGLBSA-N	320.353	1.007	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1	192900798	UNWRHVXSCATKLG-UHFFFAOYSA-N	320.736	1.078	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCSc1ccccn1	87321462	HWKZZOCJWSYCHE-UHFFFAOYSA-N	305.363	1.057	50	20	DDGD	
CSC1(CNC(=O)NNC(=O)Cc2cccnc2)CCC1	195103966	IDXBLLQFEUMAQY-UHFFFAOYSA-N	308.407	1.240	50	20	DDGD	
CC[C@@H](C)[C@@H](C)NC(=O)NNC(=O)COc1ccccc1C#N	98120757	UFCHRECKASMBEC-VXGBXAGGSA-N	318.377	1.702	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNc1nc(-c2cccnc2)no1	264250692	QRRKGAUMYQBKPH-GFCCVEGCSA-N	316.365	1.449	50	20	DDGD	
C[C@H](NC(=O)C1CCCC1)C(=O)NNc1cccc([N+](=O)[O-])c1	269592630	DZSSVCHSDOGTEJ-JTQLQIEISA-N	320.349	1.733	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)CC(C)C)cnc1Cl	265335367	ZYJDAYBQUPADCJ-UHFFFAOYSA-N	305.787	1.399	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1	269998930	XPQMLYRDOVJXNH-WCQGTBRESA-N	319.365	1.069	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H]1CCCN1C(C)=O	265326682	SPJOMVXKAKRLPN-NSHDSACASA-N	308.290	1.520	50	20	DDGD	
CCC[C@@H](NNC(=O)COc1ccccc1OC)C(=O)OCC	266476744	PFPKREGVASRQPJ-GFCCVEGCSA-N	324.377	1.427	50	20	DDGD	
C[C@@H]1CCC[C@H]1NC(=O)NNC(=O)COc1ccccc1F	264417806	NAKGBHRHCVJWAE-ZYHUDNBSSA-N	309.341	1.724	50	20	DDGD	
CC[C@H](C(=O)NNc1nnc(-c2ccccn2)s1)C(=O)OC	276977721	ROFCRTHLDXYGEV-MRVPVSSYSA-N	321.362	1.242	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)C1CC1	270704391	AKCUSUWHZLHMAP-JTQLQIEISA-N	303.145	1.584	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2CCCN2C2CC2)cccc1[N+](=O)[O-]	279830543	KQHPWGGLNMKXGR-AWEZNQCLSA-N	304.350	1.973	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NC[C@H]1COC2(CCCC2)O1	369849963	DWSDTILXXTWDOU-NSHDSACASA-N	313.398	1.439	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H]2CCCCO2)c1	272548789	DVXWVGGGNHOHKC-CYBMUJFWSA-N	307.350	1.668	50	20	DDGD	
COCCOc1cc(C(=O)NNc2ccc(OC)cn2)ccn1	275459096	DBFXOWYLFSQRAO-UHFFFAOYSA-N	318.333	1.267	50	20	DDGD	
CCCCn1cc(C(=O)NNC(=O)NC2CCCC2)c(C)n1	274505883	SWGULPZMNHZMEF-UHFFFAOYSA-N	307.398	1.878	50	20	DDGD	
CC(C)n1cccc1C(=O)NNC(=O)COc1ccccc1O	270632926	DLXFVCGNGLXDRZ-UHFFFAOYSA-N	317.345	1.615	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc2c(c1)N(C(N)=O)CCC2	279197460	LDFAOUQDAWHTSS-ZRDIBKRKSA-N	314.345	1.900	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1c(C)noc1C(C)C	271345998	CEZSXNHGNTTZFI-UHFFFAOYSA-N	316.452	1.578	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)C2CCC2)c(F)c1	272888768	YFEZEHNHJOUZOU-UHFFFAOYSA-N	309.297	1.565	50	20	DDGD	
Cn1nc([C@@H]2CCCOC2)cc1NC(=O)NNC(=O)C1CCC1	280306570	XKJLQIVQYVXKOW-LLVKDONJSA-N	321.381	1.267	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)c1ccc(Cl)cc1O	280068303	PLUPWNVQMPBPJH-RKDXNWHRSA-N	324.764	1.812	50	20	DDGD	
CN(NC(=O)c1cnc(C2OCCO2)s1)c1ccccc1	289175499	XXLAJELCMODLNQ-UHFFFAOYSA-N	305.359	1.970	50	20	DDGD	
CCc1occc1C(=O)NNc1nnc(-c2ccccn2)s1	373824132	POXCNQSPXFOUMY-UHFFFAOYSA-N	315.358	2.512	50	20	DDGD	
Cc1nnc(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)n1C1CC1	280370161	WCBIZMPQWNJSBR-JYRVWZFOSA-N	323.356	1.850	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnn(CCCC)c1CC	281343741	VAIDGILRGJYQAH-UHFFFAOYSA-N	309.439	1.541	50	20	DDGD	
CC(=O)N1CCC[C@H](CNC(=O)NNc2ncccc2F)C1	288768753	RGTUPFBHDDCWCH-LLVKDONJSA-N	309.345	1.105	50	20	DDGD	
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NCC(Cl)Cl	288196974	KJRBNKUWHCAAKE-SNVBAGLBSA-N	307.177	1.954	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H]1CCc2cn[nH]c2C1	288596211	HSAHTBNFQKNLKR-SNVBAGLBSA-N	315.333	1.875	50	20	DDGD	
O=C(NNC(=O)N1C[C@@]2(CCCO2)[C@@H]1C1CC1)c1ccccc1	297422491	JSMJHVZWFDELOI-YOEHRIQHSA-N	315.373	1.684	50	20	DDGD	
CCSCC(=NNC(=O)CN1CCCC1=O)c1ccccc1	807957734	WJXYUEZCBSRBFU-UHFFFAOYSA-N	319.430	1.882	50	20	DDGD	
CN(C)c1cccc(CCC(=O)NNC(=O)CC(F)(F)F)c1	802486777	JZECUHDUQAKBOB-UHFFFAOYSA-N	317.311	1.785	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCc1ccc2ccccc2n1	293082419	YIMNWFHWVJTWDY-UHFFFAOYSA-N	301.346	1.086	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2cc(F)ncc2F)cc1	807958354	UYNCZSGVPLSCTK-UHFFFAOYSA-N	318.283	1.757	50	20	DDGD	
COc1ccc(OCC(=O)NN(C)C(=O)OC(C)(C)C)cc1	297678173	OAZYQOHZGTWSQF-UHFFFAOYSA-N	310.350	1.972	50	20	DDGD	
O=C(NNc1ccncn1)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1	296175877	LSZIKPKSJJPZQA-OLZOCXBDSA-N	317.393	1.349	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1ccc2c(c1)C(=O)OC2	808895856	TXRHTCDUCGGGTR-UHFFFAOYSA-N	303.253	1.435	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc(Br)c(F)c2)nn1	809768764	AJHWFHYHUDRPQL-UHFFFAOYSA-N	314.118	1.474	50	20	DDGD	
CCc1csc(NC(=O)C(=O)NNc2ncccc2F)n1	807301858	SCFVDNNUHMUQBW-UHFFFAOYSA-N	309.326	1.321	50	20	DDGD	
CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)NNc2ccccc2)C1	298650798	SFHIHQZYIBCJGI-GFCCVEGCSA-N	305.334	1.616	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)cc(O)n1	803437774	XNHVJNVRQCVKNY-UHFFFAOYSA-N	324.340	1.948	50	20	DDGD	
COc1ccc(OCCNC(=O)NNc2ncccc2F)cc1	804859423	BPYAQZPPQRXAML-UHFFFAOYSA-N	320.324	1.934	50	20	DDGD	
C#CCOc1ccccc1NC(=O)NNC(=O)[C@@H]1CCCO1	296901368	OHDYWPZSMHIHTL-ZDUSSCGKSA-N	303.318	1.030	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1c(C)oc(C)c1C	807370666	QSIYGJTXTKBSES-UHFFFAOYSA-N	312.366	1.755	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O	294210714	QBFMGBTXBMAFLV-ZDUSSCGKSA-N	319.336	1.126	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)Cc1c[nH]c2cccc(Cl)c12	294928748	OQNVVHVQQJNKQF-UHFFFAOYSA-N	309.753	1.282	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)C1[C@@H]2CCC[C@@H]12	294706007	RILPVAZLPUSVPN-GHMZBOCLSA-N	323.418	1.426	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2ccccc2F)ccn1	806666504	WULRGJVHIZLMGA-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
Cc1ccc(-c2ocnc2C(=O)NNC(=O)[C@@H]2CCCO2)cc1	294540648	GPDZCDOINRHAHP-LBPRGKRZSA-N	315.329	1.590	50	20	DDGD	
O=C(Cc1c[nH]c2cccc(Cl)c12)NNC(=O)[C@@H]1CCCO1	293490936	YDFLLTUBIIUHKC-LBPRGKRZSA-N	321.764	1.690	50	20	DDGD	
Cc1cc(NNC(=O)C[C@@H]2COc3ccccc3O2)nc(C)n1	295742163	GLAGAUJLBDFQHN-GFCCVEGCSA-N	314.345	1.767	50	20	DDGD	
Cc1noc(C)c1C(=O)NNC(=O)c1ccc2c(c1)OCCO2	299268067	LMXLQKVGANZZGO-UHFFFAOYSA-N	317.301	1.137	50	20	DDGD	
O=C(COC(F)F)NNc1nnc(-c2ccccn2)s1	803171801	RXKRERFISYSQHE-UHFFFAOYSA-N	301.278	1.282	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2c[nH]nc2C)cc1C	812720713	CBCVSTYHUINZGQ-UHFFFAOYSA-N	302.334	1.960	50	20	DDGD	
Cn1c(=NNC(=O)CCc2ccon2)sc2ccccc21	816844876	SSWQAAAMVUSZDJ-UHFFFAOYSA-N	302.359	1.793	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccnc(N2CCCCC2)n1	817081748	IZTCSOKBAZGUHF-UHFFFAOYSA-N	317.328	1.153	50	20	DDGD	
O=C(NN=C1CCc2c(O)cccc21)[C@H]1COc2ccccc2O1	812380423	LSVWRBKWKYBPNY-QGZVFWFLSA-N	324.336	1.999	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2cn(C)nc2C(F)F)n1	812224500	NYZRZWARUVOLAY-UHFFFAOYSA-N	313.333	1.815	50	20	DDGD	
Cc1nnc(CC(=O)NNC(=O)NCc2ccc(Cl)cc2)o1	813532067	RMRMZBFSZMIUAV-UHFFFAOYSA-N	323.740	1.105	50	20	DDGD	
Cc1nc(CC(=O)NN=C2CC[C@@H](CC(=O)O)[C@@H]2C)cs1	814739811	BPTFCUBKWSNLCM-WPRPVWTQSA-N	309.391	1.987	50	20	DDGD	
Cn1c2c(ccc1=O)C(=NNC(=O)c1cccc(C#N)c1)CCC2	814836689	ROZSWDGFGHHKTH-UHFFFAOYSA-N	320.352	1.727	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=C[C@@H](C)C1CCCCC1	814835105	HVEILYIALXHYKM-MNOVXSKESA-N	303.428	1.243	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=S)NC1CCC1	814191501	KKILIUXQKGFSPB-UHFFFAOYSA-N	308.407	1.155	50	20	DDGD	
CN(NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)C1CC1	819649897	BHWOFRKFRLYLAD-UHFFFAOYSA-N	311.363	1.418	50	20	DDGD	
C[C@@H](C(=O)O)N(C)S(=O)(=O)c1ccc(CCCl)cc1	817784827	LAKLHMYEAYRSQH-VIFPVBQESA-N	305.783	1.562	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NCCSSC)nn1C	817389473	QVIKSGYFILPUEX-UHFFFAOYSA-N	302.425	1.048	50	20	DDGD	
NS(=O)(=O)CCCCCC(=O)NNc1cccc(Cl)c1	816844736	MVXWBOZCKIJWGU-UHFFFAOYSA-N	319.814	1.632	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)Nc1nnc2nc[nH]n12	819972657	JXKOKUPWATVQBP-RXMQYKEDSA-N	301.148	1.201	50	20	DDGD	
O=C(O)Cn1cc(C=NNC(=O)Nc2ccc(Cl)cc2)nn1	815004356	FFQPHOSQEXKJAU-UHFFFAOYSA-N	322.712	1.172	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)N[C@H](C)[C@H](C)OC)cc1	811958514	CQMGCUJGHXPBCN-NEPJUHHUSA-N	323.393	1.382	50	20	DDGD	
Cc1cnc(NC(=O)NNC(=O)c2cccc(C#N)c2)s1	728941678	ICOBMSZWTMMXDU-UHFFFAOYSA-N	301.331	1.790	50	20	DDGD	
O=C(CCN1CCOCC1)NNc1cccc(C(F)(F)F)c1	728716666	JWFKOYITHXTONR-UHFFFAOYSA-N	317.311	1.871	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc2c(c1)nc(O)n2CC1CC1	823384283	HKGPZUHUVFQSDV-JTQLQIEISA-N	318.377	1.109	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(C2CC2)nn1-c1ccccc1	821218355	ZTLMTPPLGZJCJF-LBPRGKRZSA-N	314.389	1.707	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCc1cnn2ccccc12	495897796	LVUBNWFPKIOFBV-UHFFFAOYSA-N	305.338	1.573	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NNc2cnccn2)C1	496222063	ABHKWKAOFGIMRQ-MGCOHNPYSA-N	307.354	1.223	50	20	DDGD	
CC(C)[C@@H]1C[C@H](C(=O)NNC(=S)N[C@H](C)C2CC2)CCO1	824445929	DEHSSXKYPQRTCH-RTXFEEFZSA-N	313.467	1.731	50	20	DDGD	
CC(C)=CCC[C@H](C)CC=NNC(=O)[C@H](C)NS(C)(=O)=O	728435749	HCBGEIUKSKUPPM-STQMWFEESA-N	317.455	1.799	50	20	DDGD	
COc1nccnc1NNC(=O)C[C@@H](CNC(C)=O)CC(C)C	828519189	ILYMLFCZPLIQMO-LBPRGKRZSA-N	323.397	1.117	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C#CC(C)C)cc1F	822648580	BXPBDAOZNQXRND-UHFFFAOYSA-N	309.366	1.811	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCN(C(=O)C2CC2)C1	491129419	GLOYEAYCJRYLPP-ZROIWOOFSA-N	313.332	1.771	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)Nc1nccs1	826446196	CTDKAFZOPBMLGT-UHFFFAOYSA-N	302.323	1.472	50	20	DDGD	
CCNC(=O)COc1ccc(NC(=O)NN(C)C2CC2)cc1	824026491	RBYNHJOJTXVDHK-UHFFFAOYSA-N	306.366	1.332	50	20	DDGD	
Cc1cccc2sc(NNC(=O)CN3CSCC3=O)nc12	828367013	HALZAIYNTCRWLR-UHFFFAOYSA-N	322.415	1.581	50	20	DDGD	
CCC(F)(F)C(=O)NNC(=S)NCCc1cccs1	820165065	OBEJUGPJIYZGBF-UHFFFAOYSA-N	307.391	1.831	50	20	DDGD	
OB(O)c1cccc(CN[C@H](c2ccc(F)cc2F)C2CC2)c1	585025695	AJFVWFRAEGYAQY-KRWDZBQOSA-N	317.144	1.886	50	20	DDGD	
COC(=O)NNC(=O)c1cn(-c2ccccc2)nc1C(C)C	496155312	NYWLCCCJERCYAA-UHFFFAOYSA-N	302.334	1.997	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(Oc2ccccc2)ccn1	823952102	OJZVIHIAXSHOHL-GFCCVEGCSA-N	301.346	1.831	50	20	DDGD	
Cc1ccc(C(=O)NNC(=S)NC(C2CC2)C2CC2)cc1O	905538468	VIAZMHXBDDLVRQ-UHFFFAOYSA-N	319.430	1.998	50	20	DDGD	
Cc1cc(C=NNC(=O)CCCNC(=O)OC(C)(C)C)n(C)n1	496997937	XABKMUBELKUXTH-UHFFFAOYSA-N	323.397	1.484	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@@H]1C1CCCC1	584934527	UHSRYXDDSAZBBB-OAHLLOKOSA-N	305.158	1.300	50	20	DDGD	
Cn1cc(Cl)c(CNC(=O)[C@]2(C)C[C@H]2Br)n1	908933178	OBEMFLWIVHPGIC-PSASIEDQSA-N	306.591	1.863	50	20	DDGD	
Cc1ccc(NNC(=O)c2ccc(N3CCOCC3)nc2)cc1	821698031	FYCILUJPWOJLHO-UHFFFAOYSA-N	312.373	1.984	50	20	DDGD	
O=C(NN=Cc1cnc2ccc(Cl)cn12)N1CCOCC1	737434398	NNKQNJCYWNOIAJ-UHFFFAOYSA-N	307.741	1.363	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1	730577625	KPEYWLBJOFMRHI-SNVBAGLBSA-N	300.767	1.225	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNc1nccc2sccc12	734248598	QJCFCGBZFGUNFG-UHFFFAOYSA-N	306.391	1.902	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1nc(C(C)C)c(C)s1	496491342	NEBUELQUFQRNFO-UHFFFAOYSA-N	314.367	1.291	50	20	DDGD	
OB(O)[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)s2)C1	585079237	VRGHAWJTPHSVKB-SNVBAGLBSA-N	307.159	1.321	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1oc2ccccc2c1COC	731544619	MFEBQNMIAIJPTR-UHFFFAOYSA-N	319.386	1.874	50	20	DDGD	
COc1ccc2[nH]cc(C=NNC(=O)Cc3cc(C)[nH]n3)c2c1	730144958	LPVJSCXAFLTTJT-UHFFFAOYSA-N	311.345	1.901	50	20	DDGD	
C/C=C(/C=C\C(=O)NNC(=O)Cc1cn2ccccc2n1)CC	492153633	HNFXXQAFIQFVDS-HLQKFELGSA-N	312.373	1.937	50	20	DDGD	
CC[C@H](C)CCC(=O)NNC(=O)CNC(=O)OC(C)(C)C	495692349	VRZLYQNEBCUTNP-JTQLQIEISA-N	301.387	1.485	50	20	DDGD	
Cc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1ccc(B(O)O)cc1	584949636	GGOBYNHBICIRHK-SJLPKXTDSA-N	309.174	1.135	50	20	DDGD	
CCC(Cc1cccs1)=NNC(=O)[C@@H]1CCS(=O)(=O)C1	730948074	XBLLHEPSZGKYFA-SNVBAGLBSA-N	314.432	1.608	50	20	DDGD	
COCCOC[C@@H](C)NC(=O)NNc1ncc(F)cc1F	838493431	YDINMNKVBDLUGF-MRVPVSSYSA-N	304.297	1.037	50	20	DDGD	
COc1ncc(C(=O)NNC(=O)c2ccc3ccccc3n2)cn1	733948999	OCDYVCZRFBXIQW-UHFFFAOYSA-N	323.312	1.108	50	20	DDGD	
CC(C)(C)[C@H](NC(N)=O)C(=O)NN=c1cc[nH]c2ccccc12	839662957	AHIHQVPMTDDIEL-CYBMUJFWSA-N	315.377	1.183	50	20	DDGD	
C[C@H](C(=O)O)n1cccc1C=NNC(=O)c1ccc(Cl)nc1	833408510	ZHIYIZUCLPXJSC-SECBINFHSA-N	320.736	1.946	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@@H](C)c2nncn2C)cc(C#N)n1C	490639112	QXQGFYCSYVKDLG-JHXMEDKLSA-N	323.360	1.118	50	20	DDGD	
Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(B(O)O)cc2)c1C	584950168	KNSPSLARUZBFCE-SFHVURJKSA-N	323.201	1.961	50	20	DDGD	
O=C(NCCOCC1CCCC1)NNc1cncc(Cl)n1	838730636	JWSXVFGFPDFYEA-UHFFFAOYSA-N	313.789	1.963	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)C2CN(C3CCCCC3)C2)n1	837522906	IEOVTVHUFIXREZ-UHFFFAOYSA-N	324.816	1.420	50	20	DDGD	
C[C@H](OCCCNCc1ccccc1B(O)O)c1ccccc1	585015173	RCUGVFMPWQMVBR-HNNXBMFYSA-N	313.206	1.624	50	20	DDGD	
CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)NNC(=O)C2CCCC2)C1	734221231	MOTJPCZFBWSSHH-QWHCGFSZSA-N	324.425	1.154	50	20	DDGD	
O=C(N1CC[C@H](B(O)O)C1)[C@@]12CC[C@@H](C[C@@H]1Br)C2	585065771	KBPKEBQBFXNHQR-QFOLPQNPSA-N	316.004	1.015	50	20	DDGD	
Cc1cc(CCNCc2ccc(B(O)O)cc2F)cc(C)c1O	585037173	TVHWXUVJRITONA-UHFFFAOYSA-N	317.169	1.160	50	20	DDGD	
CC(C)C[C@H](NC(=O)O)C(=O)NN=c1cc[nH]c2ccccc12	736417913	XWRUVLJINGPEJA-AWEZNQCLSA-N	316.361	1.782	50	20	DDGD	
CC(C)n1cc([C@@H](C)NC(=O)NNC(=O)c2ccc[nH]2)cn1	732893401	NPHVSTKJLWIRLT-SNVBAGLBSA-N	304.354	1.497	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)NNC(=O)Cc1ccc(Cl)cc1	905200386	VVBWQUOEWHCLAN-GFCCVEGCSA-N	323.780	1.041	50	20	DDGD	
O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)NCB(O)O	585057997	QCAVYCKIOFCHFZ-DAFODLJHSA-N	307.464	1.500	50	20	DDGD	
CC(C)C#CC(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	834583324	CKTVRJQXGUICIM-LLVKDONJSA-N	308.765	1.914	50	20	DDGD	
O=C(NN=C/C=C\c1ccco1)c1cccc(-c2nn[nH]n2)c1	738128714	JHGVQTQXZWRJAM-JYONOLKISA-N	308.301	1.889	50	20	DDGD	
O=C1C[C@H]2C[C@@H]1[C@H](C(=O)NNc1cccc(F)c1[N+](=O)[O-])C2	837587869	LQXIUVNDZVSOBP-DJLDLDEBSA-N	307.281	1.792	50	20	DDGD	
C[C@@]1(C(=O)N2CCC(n3ccnn3)CC2)C[C@H]1Br	907084525	ATCZQZXAUFERMI-ZYHUDNBSSA-N	313.199	1.615	50	20	DDGD	
CO[C@@H](CNCc1ccc(B(O)O)o1)c1cccc(Cl)c1	585026808	KIDBPWUNQLBPNI-ZDUSSCGKSA-N	309.558	1.090	50	20	DDGD	
CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1cccnc1	735451222	UTSMIYXVGAGPCS-UHFFFAOYSA-N	307.317	1.416	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2O[C@H](C)C[C@H]2C)c1F	837060808	FTCOXHYDRDZRHF-JRKPZEMJSA-N	310.325	1.869	50	20	DDGD	
CCOC(=O)[C@@H](CC(=O)NNc1ccc([N+](=O)[O-])cc1)C(C)=O	830757277	LMYHRCYVOIHKGV-LBPRGKRZSA-N	323.305	1.196	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCCCc1ccccc1	918055721	FWFQKWINMAUTDD-UHFFFAOYSA-N	303.284	1.902	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1	830816200	MJUWQFMQOGAQSO-UPZNUWHASA-N	319.283	1.100	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCCC[C@H]1C=NNC1=O	912471177	YVYQZBKFUJQRCN-OEMOTLHWSA-N	314.320	1.361	50	20	DDGD	
CCN(CC)CCC(=O)NNC(=S)Nc1ccccc1F	916126994	SZNUJRNOVRYIQB-UHFFFAOYSA-N	312.414	1.875	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc2ccccc2c(=O)o1	833244009	ZWPJAYIOYHBDIK-GFCCVEGCSA-N	316.313	1.123	50	20	DDGD	
CCc1cccc2c1NC(=O)C2=NNC(=O)[C@H]1CCCCO1	834990536	XXBGFJRUTLQSDB-GFCCVEGCSA-N	301.346	1.591	50	20	DDGD	
Cc1oc2ncnc(O)c2c1C(=O)NNc1cccc(C#N)c1	748033812	GAZQALGMWKIJSE-UHFFFAOYSA-N	309.285	1.865	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H](C)CN2CCOCC2)cc1C	915952160	ALRDFSWYUKQSOD-OAHLLOKOSA-N	303.406	1.722	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)COc2cccc([N+](=O)[O-])c2)n1	914755186	QXOZMWVNHCZCKM-UHFFFAOYSA-N	317.305	1.524	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1cccc(Nc2ncccn2)c1	913471092	NTQVRNYYAJCDRR-UHFFFAOYSA-N	322.328	1.623	50	20	DDGD	
CC(C)(C)NC(=O)NNC(=O)COc1ccccc1[N+](=O)[O-]	916626552	RRVBPCDZFJGUQN-UHFFFAOYSA-N	310.310	1.103	50	20	DDGD	
CC(C)C(=O)NCCNC(=O)NNc1c(F)cc(F)cc1F	913900646	FDOHGWPNLGRKPJ-UHFFFAOYSA-N	318.299	1.502	50	20	DDGD	
COc1cccc(C(=O)NN(C)C[C@H](C)O)c1OC(F)F	910175464	OYBVEEUBDLAMQG-QMMMGPOBSA-N	304.293	1.254	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1	846641871	STPLRVKXJUFBRK-NXEZZACHSA-N	309.341	1.569	50	20	DDGD	
CCn1nncc1C=NNC(=O)[C@@H](C)Oc1cccc(C)c1C	841613468	ZTSNOMRKHJCMJI-CYBMUJFWSA-N	315.377	1.832	50	20	DDGD	
NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1cc(C(F)(F)F)ccc1F	847609270	JISDLCVQFWRVKR-YUMQZZPRSA-N	319.258	1.799	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H](C)COCC1CC1	845580635	OULRYKHCPJCBQD-NSHDSACASA-N	321.377	1.454	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)/C=C/Sc1ccccc1	843640063	AWXKGWLMOVDMDB-YRFMYUJQSA-N	306.387	1.865	50	20	DDGD	
CC(C)(C)N1C[C@@H](C(=O)NNc2cccc(C#N)c2)CC1=O	748031333	SIEOQASTCSPXDR-LBPRGKRZSA-N	300.362	1.648	50	20	DDGD	
COc1cccc(C2(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)CC2)c1	843656550	PLENBVSKQKYNHO-FZMZJTMJSA-N	318.373	1.299	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(F)c(Br)c1	910164012	QJSQYIFOUHBJRJ-SSDOTTSWSA-N	305.147	1.546	50	20	DDGD	
C=CCNC(=S)NNC(=O)COC[C@H](C)c1ccccc1	845076946	UTNQXDLIXHXVHE-LBPRGKRZSA-N	307.419	1.488	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCc2c(Cl)cccc21	843658991	GWOCSMIDIIFPJD-KWBADKCTSA-N	322.792	1.942	50	20	DDGD	
COC[C@H](C)CC(=O)NNc1ncc(Br)cn1	848321409	RPAFQKZALQWLAD-SSDOTTSWSA-N	303.160	1.355	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)cc1	749268305	YKHAJAOLKPOWFX-UHFFFAOYSA-N	321.296	1.658	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)c2ccc(Cl)nc2)[nH]1	747632603	GBVALXVBYUGPLL-UHFFFAOYSA-N	306.709	1.614	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)[C@H]1C[C@H]2CC[C@H]1O2	848321426	SBJLYYHBCVXTFM-HRDYMLBCSA-N	313.155	1.250	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)Cc2cccnc2)c1Cl	741922684	GEVZLZLHALDPSG-UHFFFAOYSA-N	321.768	1.264	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ncsc1C(F)(F)F	843656019	LSANLVYSSYAPRV-RITPCOANSA-N	323.296	1.348	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc2c(c1)CCC(=O)N2	929516837	PDSDGBIDEZQJFQ-UHFFFAOYSA-N	314.345	1.528	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)Cc2cc(C)no2)c1	845080162	SXMPCNNUNAURHQ-UHFFFAOYSA-N	317.345	1.369	50	20	DDGD	
Cc1ncsc1C=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1	743431060	PZJGJCVZHDALNT-UHFFFAOYSA-N	305.319	1.706	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C(C)(C)c1ccc(F)cc1	843650085	ZNBCALRUFNZMAX-MFKMUULPSA-N	308.353	1.676	50	20	DDGD	
Cc1cc(C=NNC(=O)C(=O)NC2CC2)ccc1Br	746369312	WJFPOUJEXCOPJF-UHFFFAOYSA-N	324.178	1.486	50	20	DDGD	
COc1cccc([C@H](C)CC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	843653924	OZOALVLXEBANIX-XUJVJEKNSA-N	320.389	1.761	50	20	DDGD	
Cc1cc(NNC(=O)C2=NN(CCO)C(=O)CC2)ccc1Cl	928341230	TVGDVFYNGAOMJU-UHFFFAOYSA-N	324.768	1.062	50	20	DDGD	
C[C@@]1(CNC(=O)c2noc3c2COCC3)C[C@@H]1Br	857868954	GWJNTVTYRNCREF-CABZTGNLSA-N	315.167	1.651	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2ccc(C)nc2)cc1	757734114	SKSFVSFFNTYJEQ-UHFFFAOYSA-N	314.345	1.930	50	20	DDGD	
COc1cc(C=NNC(=O)c2cnccn2)c2c(c1)C[C@H](C)O2	755630838	AEPGDADRCGQSFG-JTQLQIEISA-N	312.329	1.573	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cccc2nccnc12)C1CC1	855099527	HXKXBOYDPOCGMR-SECBINFHSA-N	315.402	1.537	50	20	DDGD	
O=C(CN1CCCC1=O)NNC(=O)c1cc2ccccc2s1	751619435	YXUHLFBSGJFFMR-UHFFFAOYSA-N	317.370	1.285	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NC[C@]1(C)C[C@@H]1Br	857689417	LAPJNJVMXNDVCJ-CPCISQLKSA-N	307.188	1.411	50	20	DDGD	
O=C(NNC(=O)C1CC(F)(F)C1)c1cc(Br)c[nH]1	753574650	UZBWAYVWEHPEIQ-UHFFFAOYSA-N	322.109	1.584	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC12CCOCC2)c1cccc(Cl)n1	855568911	PLRUCSGAORBRNQ-SECBINFHSA-N	309.753	1.313	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2cccc(F)n2)[C@H]2CCCC[C@@H]2N1	854443089	NAXCKQXSMIPPQR-VWYCJHECSA-N	306.341	1.359	50	20	DDGD	
CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)NNC(=O)CC(C)C	852691984	NXCYNURBMAIWEK-NHYWBVRUSA-N	313.398	1.485	50	20	DDGD	
Cn1c(=NNC(=O)NC[C@H]2CCCCO2)sc2ccccc21	920344474	UFCSXVQBVPBAEY-LLVKDONJSA-N	320.418	1.924	50	20	DDGD	
COc1c(Cl)cccc1NC(=O)NNC(=O)c1c[nH]nc1C	756203021	JNUBEMGFRCEWPQ-UHFFFAOYSA-N	323.740	1.847	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCCCc1ccco1	852680109	LXAKCPCUKHLTMT-UHFFFAOYSA-N	319.336	1.924	50	20	DDGD	
O=C(C[C@@H]1CSCCS1)NNC(=O)NCC(F)(F)F	752285581	AVCNNZFXJCFHFO-ZCFIWIBFSA-N	317.358	1.118	50	20	DDGD	
C[C@]1(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCCN2)C[C@@H]1Br	857253202	IRMQZZGHWUPQIM-XHJNMGKDSA-N	317.271	1.907	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@H]1CCO[C@H](C2CC2)C1	856887455	ZTMYOVVNBXBHDC-QWRGUYRKSA-N	311.773	1.714	50	20	DDGD	
C/C=C/C[C@H](CO)NC(=O)NC[C@]1(C)C[C@@H]1Br	856903639	RNFCPIGVILZEBK-TVZVJGHASA-N	305.216	1.786	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NN=Cc3cn(C)nn3)cc2C1	755577999	ZJJLBAIBQQWHMD-SECBINFHSA-N	303.391	1.765	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)NCC1=CCCC1	852634332	MAQKBOHMSYJAGR-UHFFFAOYSA-N	313.361	1.318	50	20	DDGD	
CCN1CCCC[C@H]1CNC(=O)NNC(=O)c1cccc(F)n1	852090071	QRRSZCYJACHHSL-NSHDSACASA-N	323.372	1.039	50	20	DDGD	
C[C@@H]1C[C@H]1c1ccc(CNC(=O)NNC(=O)c2cn[nH]c2)o1	858148012	IEJVZVRQODVFSP-LDYMZIIASA-N	303.322	1.270	50	20	DDGD	
CC(C)C(=NNC(=O)Cn1nnc(-c2ccccc2)n1)C1CC1	750918214	RYHNBIBKEOUSBK-UHFFFAOYSA-N	312.377	1.878	50	20	DDGD	
COCC(=NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C)C1CC1	853375748	AUYJCTVERBGZPH-IUODEOHRSA-N	320.393	1.416	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CNC(=O)NNC(=O)C1CCCC1	752699487	BKBBRVYWBSZCAR-SECBINFHSA-N	308.382	1.916	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCc1ccc(C)n(C)c1=O	854025233	JVSQCJHVAXEXAP-UHFFFAOYSA-N	318.352	1.968	50	20	DDGD	
CC(C)S(=O)(=O)CC(=O)NC[C@]1(C)C[C@H]1Br	857403557	SSJOTIWRSQWRMM-SCZZXKLOSA-N	312.229	1.099	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H](C)Oc1ccc(F)c(F)c1	854926427	ZLFZHBFPSZGAAC-SSDOTTSWSA-N	303.334	1.199	50	20	DDGD	
C[C@@H]1OCC[C@@H]1SCC(=O)NNC(=O)c1cccc(C#N)c1	754720477	QXTUIHZWMZHFFC-GWCFXTLKSA-N	319.386	1.230	50	20	DDGD	
CCCCS(=O)(=O)CC(=O)NNc1c(F)cccc1F	935020206	IKNYUKKAZSCYSH-UHFFFAOYSA-N	306.334	1.623	50	20	DDGD	
O=C(CCOCC(F)F)NNC(=O)c1cccc(Cl)n1	857323532	QHPGWXRDWGKEAS-UHFFFAOYSA-N	307.684	1.168	50	20	DDGD	
O=C(NN=Cc1ccccc1Cl)[C@@H]1CN2CCC[C@@H]2CO1	853387103	JYWYJMMAOLVJMN-OCCSQVGLSA-N	307.781	1.653	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1cc(F)ccc1O	751061019	SSBLVUJVQONBOX-UHFFFAOYSA-N	315.264	1.733	50	20	DDGD	
CC(C)(C)c1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1	862464288	WHJLZZINEKCHEM-LBPRGKRZSA-N	303.362	1.024	50	20	DDGD	
C=CCOc1cc(OC)ccc1C(=O)NNC(=O)C1CCC1	768083205	LHVWXBGVNZRNOA-UHFFFAOYSA-N	304.346	1.821	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)c1ccncc1)C(=O)N2C	864603631	DZCYXTZFMJZWDZ-UHFFFAOYSA-N	310.313	1.201	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNC(=O)c2ccccc2F)n1	864444533	FOAAAHCCVPEUQW-SNVBAGLBSA-N	304.325	1.428	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)NCc2ccco2)c(C)c1	930732315	GCKSUOMAUSPYQZ-UHFFFAOYSA-N	317.345	1.670	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CN(C)C1CCC1)c1ccccc1	863870855	OGXRDMZXNWZLMY-OAHLLOKOSA-N	303.406	1.812	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1ccc(Br)c(F)c1F	863107827	BHGPVKLBWYETLU-UHFFFAOYSA-N	321.121	1.948	50	20	DDGD	
CN(C)CCn1nccc1NC(=O)NNc1ccc(F)c(F)c1	931567245	PNXKPFLNPIPFKU-UHFFFAOYSA-N	324.335	1.872	50	20	DDGD	
CC(C)Oc1cncc(C(=O)NNC(=O)NC2CCCC2)c1	765313798	GZGBAWAIUMGEQJ-UHFFFAOYSA-N	306.366	1.755	50	20	DDGD	
C[C@@H](NNC(=O)C(=O)c1ccc2c(c1)CCC2)C(F)(F)F	862308289	BUJIBOQBFXFLEU-MRVPVSSYSA-N	300.280	1.930	50	20	DDGD	
COc1cc(C#N)ccc1NC(=O)NNC(=O)c1cccn1C	766240484	BCEWZEDSKSBZHH-UHFFFAOYSA-N	313.317	1.372	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)c1cnco1	762370023	COUHHGSEUJSQKZ-UHFFFAOYSA-N	307.331	1.237	50	20	DDGD	
N#C/C=C\CN1c2ccccc2N(C/C=C\C#N)S1(=O)=O	763303269	IHIVYOXQWVEFRX-GLIMQPGKSA-N	300.343	1.717	50	20	DDGD	
CNC(=O)CCCCC(=O)N(C)NC(=O)OCc1ccccc1	862289017	AMQVOPIYAVVBRI-UHFFFAOYSA-N	321.377	1.593	50	20	DDGD	
CCn1ncc(C(=O)NNc2cccc(S(C)(=O)=O)c2)c1C	867240040	PTIXDWHIROJHSO-UHFFFAOYSA-N	322.390	1.372	50	20	DDGD	
C[C@H](NNC(=O)c1ccc(S(C)(=O)=O)cc1)C(F)(F)F	862304480	OYABUGQPYVOAPF-ZETCQYMHSA-N	310.297	1.275	50	20	DDGD	
Cc1cc(Br)cc2c1NC(=O)C2=NN(C)C(N)=O	767901512	SWTFODCVCWEPMS-UHFFFAOYSA-N	311.139	1.424	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(C)cc2O)nc1	760791173	TWODKEQMYPHZRR-UHFFFAOYSA-N	301.302	1.639	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)Cc1ccco1	761632978	KJLQUNPTRUDAJA-UHFFFAOYSA-N	320.370	1.770	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)C2Cc3ccccc3C2)cc1	761669905	KIPLVILZNJZTSO-UHFFFAOYSA-N	305.337	1.734	50	20	DDGD	
CC(C)NC(=S)NNC(=O)/C=C\c1ccc2c(c1)OCO2	1119592868	MHLNOZJMVSQLST-XQRVVYSFSA-N	307.375	1.332	50	20	DDGD	
CCC1(C(=O)NNC(=S)Nc2ccccc2OC)COC1	873770106	ZGLPDNZHOLZCPV-UHFFFAOYSA-N	309.391	1.439	50	20	DDGD	
O=C(NCCCOCc1ccccc1)NNc1cccnn1	1116098130	HTRGEFMVOFZFDQ-UHFFFAOYSA-N	301.350	1.710	50	20	DDGD	
CO[C@]1(CNC(=O)NNc2cccc(F)c2Cl)CCOC1	875495387	KGRKJFGLBMPOPU-ZDUSSCGKSA-N	317.748	1.911	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(-n2cccn2)cc1C	879348531	AXSOAEAZWXRZCN-UHFFFAOYSA-N	303.366	1.795	50	20	DDGD	
C[C@]1(C(=O)NCCCSC#N)Cc2ccccc2C(=O)O1	773586616	IMGALUVOPMIRRS-OAHLLOKOSA-N	304.371	1.879	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)[C@@H]1CCN1C1CCCC1	874957302	ICEWGGLDNANXHI-LBPRGKRZSA-N	319.434	1.416	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)Cc1csc(C)n1	777773136	IMPIJMDCUDSDIS-UHFFFAOYSA-N	305.359	1.924	50	20	DDGD	
NC(=O)C1(C(=O)NNc2ccccc2OC(F)(F)F)CCC1	779210901	QWOHXOJFAMQBDC-UHFFFAOYSA-N	317.267	1.684	50	20	DDGD	
COCCOCC(=O)NN=C1CCSc2ccc(OC)cc21	872401496	XIGVQWYEODSENM-UHFFFAOYSA-N	324.402	1.674	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C[C@H]2CCC(=O)N2C)c1	873776528	DZDNPWOHXFXLKX-GFCCVEGCSA-N	320.418	1.324	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C1=CCCCO1	772953714	NUHOBBZTLRMKPL-SNVBAGLBSA-N	324.764	1.949	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1ccc(-n2ccnc2)cc1	779820675	IEZVYSVGHZEDKO-UHFFFAOYSA-N	315.333	1.069	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc(OCC(F)F)n1	879206131	ABTRUGWUXGMCFR-UHFFFAOYSA-N	304.297	1.340	50	20	DDGD	
COC(=O)Cc1cccc(C(=O)NNC(=O)C2CCCC2)c1	777516159	OUWFIZNFJZQQRD-UHFFFAOYSA-N	304.346	1.353	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cc(Cl)cc2cccnc12	779818352	ZMVUYINXKHTORV-UHFFFAOYSA-N	320.736	1.694	50	20	DDGD	
O=C(NCC1(c2ccccc2)CC1)NNC(=O)C1CCOCC1	883090587	PMYPHIPVTFLTBS-UHFFFAOYSA-N	317.389	1.475	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC(N2CCCC2=O)C1	888754239	GXRONFFZPOKEKA-NSHDSACASA-N	317.227	1.629	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1c[nH]c2ccc(F)cc12	887144557	RIJINNRSMPWGIJ-UHFFFAOYSA-N	301.321	1.800	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](C)NC(=O)C1CCCCC1	887141730	GRICGOLGEXQIPZ-LBPRGKRZSA-N	307.394	1.022	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1ccc2c(c1)OCCCO2	775452948	VZVABNNOSOGNNI-UHFFFAOYSA-N	319.296	1.926	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)Cc1cccnc1	773639554	WSLGZPKJLUGMGQ-UHFFFAOYSA-N	303.293	1.693	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cccc(OC)c1OC(C)C	779823988	VLBVDMAOBKPKMV-UHFFFAOYSA-N	323.349	1.289	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNC(=O)C2CCOCC2)s1	883062100	QNKVFQYMDWOFRE-UHFFFAOYSA-N	311.407	1.628	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CCC(C)(C)O	786662938	IUAYZPDNIMDHGR-SNVBAGLBSA-N	312.341	1.292	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC(=O)c2cccn21)NC1CCCCC1	788724024	CCOGCLZQHXFWKD-ZDUSSCGKSA-N	318.377	1.669	50	20	DDGD	
CC[C@H]1C[C@H](C(=O)NNC(=O)c2ccc(C)c(O)c2)CCO1	882050054	MZDCPDKTDAIJGS-OLZOCXBDSA-N	306.362	1.667	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](O)[C@@H](C)c1ccc(C)cc1	887145492	GGAQKOMHNVIWBE-XJKSGUPXSA-N	302.374	1.410	50	20	DDGD	
Cn1ncc(NC(=O)NNC(=O)CC2CC2)c1C(F)(F)F	782101781	YEJIBQDEPPCISS-UHFFFAOYSA-N	305.260	1.392	50	20	DDGD	
CC/C(C)=C(/C)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1	780853568	FZTQDUSFFOLLFB-KHPPLWFESA-N	314.349	1.170	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H]1CCN(CC2CC2)C1	787332617	SEVDSMLSHOGOAK-HTRKUNOGSA-N	311.385	1.900	50	20	DDGD	
C[C@](O)(Cc1ccccc1)C(=O)NNc1ncncc1Cl	781834393	XSIVHMGIPKFMNJ-AWEZNQCLSA-N	306.753	1.567	50	20	DDGD	
O=S(=O)(CBr)NCCN1Cc2ccccc2C1	782422695	JBDJEYZYUJWWJX-UHFFFAOYSA-N	319.224	1.274	50	20	DDGD	
O=C(NN=C[C@@H]1CCSC1)c1ccc(-n2cnnn2)cc1	782168793	KWYHHKSLSVHBRC-JTQLQIEISA-N	302.363	1.131	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H]1CCC(=O)c2cccn21)C1CC1	788753622	BFEQJOLLGHNWOH-CABZTGNLSA-N	320.418	1.300	50	20	DDGD	
COc1cc(C(=O)NNc2ccc(-n3ccnc3)nn2)ccc1C	788177156	BXWHRDUZWGAQAV-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
O=C(NN=C1CCOC[C@H]1CN1CCCCC1)c1cccnc1	787146136	VSGRIFNDICFXRL-OAHLLOKOSA-N	316.405	1.690	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2nc3ccccn3n2)c2ccccc21	791241831	CWMBMSHWZZJWJD-ZDUSSCGKSA-N	322.372	1.796	50	20	DDGD	
CSc1c(F)cccc1C(=O)NNC(=O)c1c[nH]nc1C	797864648	PPZRMKCURUHLLG-UHFFFAOYSA-N	308.338	1.654	50	20	DDGD	
CC[C@H](C)CC(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1	791497761	LTCURCSVUTZYEO-NSHDSACASA-N	317.345	1.299	50	20	DDGD	
CN(C[C@@H](O)C1CC1)S(=O)(=O)c1ccc(CCl)cc1	690249419	MEVUDCQAOZXITH-CYBMUJFWSA-N	303.811	1.817	50	20	DDGD	
O=C(Cc1ccc2c[nH]nc2c1)NNC(=O)c1ccccc1O	790069962	HYBIAXJVKPAUQN-UHFFFAOYSA-N	310.313	1.272	50	20	DDGD	
Cc1noc(C2CCC(=NNC(=O)N3CCOCC3)CC2)n1	797401271	AWRXYWZJDNQALG-UHFFFAOYSA-N	307.354	1.433	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1CC[C@@H](C)C[C@@H]1n1cncn1	794485830	LTGFOBIYFKTVLV-HIFRSBDPSA-N	320.441	1.843	50	20	DDGD	
CN(CC(=O)NNC(=O)NCC(F)(F)F)c1ccccc1	798315764	AIQSQCPGYXYOIB-UHFFFAOYSA-N	304.272	1.016	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cnn(-c2ccccc2)c1)n1ccnc1	1318500253	ZYBQKSXRBFTZSI-LBPRGKRZSA-N	324.344	1.091	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)O1	1319246473	TVIDWTOJJYAPNS-CABZTGNLSA-N	306.366	1.007	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2nncc(N)c2Cl)CS1	1325275864	WLKODUHFQYINGC-WDSKDSINSA-N	302.791	1.232	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1c(C)noc1C	1326751546	KLGJIFNHTFXAPF-DLOVCJGASA-N	324.381	1.498	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)s1	1323547218	QFNPUIMRFJDOIT-UHFFFAOYSA-N	315.358	1.296	50	20	DDGD	
CCCCCNC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1328615719	QVJZLHDDOKPEAZ-JOYOIKCWSA-N	305.216	1.583	50	20	DDGD	
CN1CCC(CCNC(=O)NNc2ccc(C#N)cn2)CC1	1333493236	WOEWXIBDDCVMOC-UHFFFAOYSA-N	302.382	1.311	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@@H]([C@H]2CCCCO2)C1)c1cn[nH]c1	1331536899	MIHUWANUDGLDIJ-DGCLKSJQSA-N	321.381	1.045	50	20	DDGD	
CC(=O)OC[C@H](CO)NC(=O)CCCC[C@H]1CCSS1	1339634983	IUKYMXJZOOSLNR-RYUDHWBXSA-N	321.464	1.741	50	20	DDGD	
O=C(NCCOC1CCSCC1)NNC(=O)C1CCCC1	1263069594	VKFVIOVIJVRDTA-UHFFFAOYSA-N	315.439	1.419	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1C[C@H]1c1ccncc1	1346971616	TYZXDPWNTOSSFI-QWHCGFSZSA-N	321.377	1.122	50	20	DDGD	
O=C(NC[C@@H]1CCOC1)NNC(=O)c1nc2ccccc2s1	1352133451	ZCLTZHABNMCDES-VIFPVBQESA-N	320.374	1.277	50	20	DDGD	
C[C@@H]1[C@@H](C(=O)NNC(=O)c2cccc3cccnc23)C1(F)F	1520904876	SPJDRUJJWVXGPL-KCJUWKMLSA-N	305.284	1.897	50	20	DDGD	
COC(=O)c1cc(NC(=O)[C@@]2(C)C[C@H]2Br)n(C)n1	1529109166	ZQQTXIQODSUPQR-HQJQHLMTSA-N	316.155	1.319	50	20	DDGD	
O=C(O)[C@H]1CCC[C@H](C(=O)NNC(=S)Nc2ccccn2)C1	1601803057	IIBGWATXSNVZJU-UWVGGRQHSA-N	322.390	1.290	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=C1CC[C@@H](C(=O)O)C1	1607973835	PTTJPPMDHTWIIZ-SNVBAGLBSA-N	300.318	1.613	50	20	DDGD	
COC[C@@]1(C(=O)O)CCCN1C(=O)C1CCC(Cl)CC1	1606830452	NSKMEZZNSDLOEJ-QIMFLAQGSA-N	303.786	1.876	50	20	DDGD	
Cc1cc(=NC(=O)NNc2ccc(CC(=O)O)cc2)c(C)c[nH]1	1600270776	PSQAIJCFCZHHOS-UHFFFAOYSA-N	314.345	1.896	50	20	DDGD	
O=C(O)CCCONC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	1601994982	MWCJYDKJJNTXHU-YGOYTEALSA-N	320.183	1.853	50	20	DDGD	
CSSCCNC(=O)c1ccc(-c2nn[nH]n2)s1	1609372226	VLEZOLPMSLSKEJ-UHFFFAOYSA-N	301.422	1.669	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1ccc(-c2cccc(F)c2F)o1	1608754416	CVWVSSPNLWDODB-UHFFFAOYSA-N	323.255	1.943	50	20	DDGD	
Nc1c(-c2nn[nH]n2)cnn1C(=O)c1cccc(CCl)c1	1606446749	XNAXPQFQFAFMQV-UHFFFAOYSA-N	303.713	1.073	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)[C@@H]2Cc3ccccc3O2)o1	1608879254	ZDOSWKJZHVOEPJ-ZDUSSCGKSA-N	300.270	1.432	50	20	DDGD	
Cc1noc(Cl)c1CC(=O)NNc1ccc(CC(=O)O)cc1	1600814510	GADPGAHDZBDPID-UHFFFAOYSA-N	323.736	1.949	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)NCC(=O)O)c2ccccc12	1610319199	OPYRWALVEIZVLA-UHFFFAOYSA-N	315.329	1.956	50	20	DDGD	
O=C(NN=Cc1ccc2cnccc2c1)[C@H]1CN2CCC[C@@H]2CO1	1549318390	BTXWLJOQJIPVPL-IAGOWNOFSA-N	324.384	1.548	50	20	DDGD	
Cc1coc(CC(=O)O)c1C(=O)NN(C)C(=O)OC(C)(C)C	1610543601	WEUXHBGCKWPNMS-UHFFFAOYSA-N	312.322	1.727	50	20	DDGD	
COc1cc(OC)cc([C@H](C(=O)O)N2CC=C(C#N)CC2)c1	1610307976	ZYZIBXSRBAAGAB-OAHLLOKOSA-N	302.330	1.985	50	20	DDGD	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccncc1	3182434	RLVOSZKLUXRQMP-ZZXKWVIFSA-N	312.285	1.464	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@H]1C=NNC(=O)c1cccnc1	1552448476	SIROBDVHRDYMJM-JSGCOSHPSA-N	313.361	1.699	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)C2(CN)CCCC2)cc1	1574156924	VUBWFGJWPSGAEX-UHFFFAOYSA-N	321.446	1.754	50	20	DDGD	
CCO[C@H](C(=O)NNc1ncccc1C(=O)O)C1CCCC1	1573907857	KHGSNPRYWPTGPR-LBPRGKRZSA-N	307.350	1.818	50	20	DDGD	
CC(C)C[C@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)C(=O)O	1588898682	USWPNRMABXZQAU-BCNIOPEESA-N	302.330	1.915	50	20	DDGD	
NCCCC(=O)NNC(=O)c1cc(Cl)c2ccccc2n1	1580289553	MDVGANQETOCDSH-UHFFFAOYSA-N	306.753	1.388	50	20	DDGD	
O=C(NNC(=O)[C@]12CC[C@H]1CNC2)c1cccc2ccccc12	1580736573	YAOUIWOBJNYDPJ-UGSOOPFHSA-N	309.369	1.600	50	20	DDGD	
O=C(NNc1cc(O)nc2ncccc12)[C@H]1C[C@]12CCCNC2	1580737291	NDJOJHCLUXQEID-BZNIZROVSA-N	313.361	1.168	50	20	DDGD	
O=C(NNc1ncccc1Br)[C@H](F)[C@@H]1CCNC1	1580743038	NUUHCPUDUBAQSY-VXNVDRBHSA-N	317.162	1.235	50	20	DDGD	
CCCCS(=O)(=O)/C(C#N)=C\c1nc(-c2nn[nH]n2)cs1	1590610847	ARCVBUABBARNBY-YVMONPNESA-N	324.391	1.403	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(F)c(C(=O)O)c1)c1cnn(C)c1	1593102103	PELZLDHMCHTGMU-MRVPVSSYSA-N	321.312	1.645	50	20	DDGD	
CCCCOc1ccc(C(C)=NNC(=O)C(=O)O)cc1OC	1595775743	UNKIIZRKSGZMKV-UHFFFAOYSA-N	308.334	1.799	50	20	DDGD	
O=C(O)CC[C@@H]1C[C@H](C(=O)NNc2ccc(F)c(F)c2)CO1	1595002809	ADUDMNHVGVFCIH-WCBMZHEXSA-N	314.288	1.678	50	20	DDGD	
CO[C@@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)C1CCCC1	1591311907	CLTGKIMAAXLIDV-CYBMUJFWSA-N	316.365	1.515	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2ccc3oc(C(=O)O)cc3c2)cn1	1776044695	QFDGXISGGLTFSF-UHFFFAOYSA-N	312.285	1.628	50	20	DDGD	
O=C(O)/C=C\c1ccc(C=NNC(=O)OCC(F)(F)F)o1	1776097269	VLGCCQZETDBZFI-ROECETPASA-N	306.196	2.000	50	20	DDGD	
Cc1cc(C=NNC(=O)Nc2ccc(C(=O)O)cc2)n(C)n1	1776045383	CTYNHXPUSVWYOV-UHFFFAOYSA-N	301.306	1.582	50	20	DDGD	
COC(=O)c1coc(C=NNC(=O)c2ccc(C(=O)O)cc2)c1	1776100775	ZWCBTTYDRPGWOY-UHFFFAOYSA-N	316.269	1.528	50	20	DDGD	
COC(=O)[C@H](NNC(=O)c1ccccc1F)c1ccccc1	15508012	PLXRNDIEWWTCEG-CQSZACIVSA-N	302.305	1.974	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@H]1CS(=O)(=O)c2ccccc21	158309010	ZWQPONYVVUUWSN-OANVXVOSSA-N	306.343	1.075	50	20	DDGD	
COC(=O)NNC(=O)c1cnn(-c2ccccc2)c1C1CC1	158923126	QOHZIJMDJMWXRF-UHFFFAOYSA-N	300.318	1.751	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cnc(-c3ccccc3)nc2)[nH]n1	151164536	VOGBZSBRLCXACB-UHFFFAOYSA-N	322.328	1.250	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@@H](C)c2c(C)n[nH]c2C)o1	152750675	AHWOVBVXIWSOOM-MRVPVSSYSA-N	304.350	1.883	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@H]2C[C@H]3CC[C@@H]2O3)n1	155813244	AZBZZFCZHQAFSF-WOPDTQHZSA-N	305.382	1.333	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)c2cc3c(s2)CCCC3)nn1	154405587	OVCFCCCZKXERSJ-UHFFFAOYSA-N	317.374	1.273	50	20	DDGD	
O=S(=O)(c1ccc(CCl)cc1)N1CCC[C@H]1CCO	311901370	YDYVDZHVJAAVST-LBPRGKRZSA-N	303.811	1.961	50	20	DDGD	
COCCN(C)CCNS(=O)(=O)c1ccc(CCl)cc1	312659426	MCEAMWYPWQJWEE-UHFFFAOYSA-N	320.842	1.282	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)c2ccn(C)n2)cc1	6518135	HYXZDFGMPUKGED-UHFFFAOYSA-N	319.390	1.450	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccnn1C1CCN(CC)CC1	7707854	UNQUKTMEMGCAJS-OUKQBFOZSA-N	317.393	1.922	50	20	DDGD	
C[C@@H](SCC(=O)NNC(=O)N(C)C)c1nc2ccccc2[nH]1	174145559	GJTHMMVFOREISP-SECBINFHSA-N	321.406	1.660	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)c1ccc2ccccc2n1	173004994	STGKVUDCBNGNET-UHFFFAOYSA-N	313.357	1.979	50	20	DDGD	
O=Cc1cccc(OCC(=O)NNc2ccccc2[N+](=O)[O-])c1	113140519	FMACZZVAMSKJPK-UHFFFAOYSA-N	315.285	1.929	50	20	DDGD	
CC[C@](C)(O)CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	174779523	YOYBDOKIQVBEGW-XNWJVHIKSA-N	300.362	1.389	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccco2)cc1	10668608	CBEMXNPBOCVKDU-UHFFFAOYSA-N	302.286	1.206	50	20	DDGD	
COc1cccc2cc(C(=O)NNC(=O)c3c[nH]nc3C)oc12	110760475	JHGYKOXQMXMTJY-UHFFFAOYSA-N	314.301	1.548	50	20	DDGD	
C[C@@H](c1ccc(F)c(F)c1)N(C)CC(=O)NNC(=O)C1CC1	112976387	SYCJOWLXCBYGGJ-VIFPVBQESA-N	311.332	1.515	50	20	DDGD	
C=CC[C@@H](C)NC(=O)NNC(=O)c1c(C)nc2ccccn12	116934556	ARAWDQGLUWRVDE-SNVBAGLBSA-N	301.350	1.551	50	20	DDGD	
CCCCN(C)CCNC(=O)NNc1cncc(Cl)n1	112465048	CJYKYTZUTPNVCR-UHFFFAOYSA-N	300.794	1.488	50	20	DDGD	
CC(=O)Nc1ccc(/C=C/C(=O)NNC(=O)NC2CC2)cc1	64427834	UEAABCNUAKYWQU-RUDMXATFSA-N	302.334	1.151	50	20	DDGD	
C[C@@H](c1cc(F)ccc1F)N(C)CC(=O)NNC(=O)C1CC1	112977247	RHOZVRWNYFUKSV-VIFPVBQESA-N	311.332	1.515	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1	27081596	RCQSFAOBHPDSEX-UHFFFAOYSA-N	320.317	1.100	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H](C(C)C)N(C)C)c1ccccc1	110963230	OVBZYKRXKIDJSB-GJZGRUSLSA-N	305.422	1.914	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC(C)C)c(OC)c1OC	63270609	UGSOOWBENWUHEE-UHFFFAOYSA-N	311.338	1.065	50	20	DDGD	
O=C(CCCn1cncn1)NNc1ccc(C(F)(F)F)nn1	123997185	DTZMRIQPOHUYTO-UHFFFAOYSA-N	315.259	1.010	50	20	DDGD	
CCc1ccc(/C=C/C(=O)NNC(=S)NCCSC)o1	120726534	MTRVSZZNNJSFKH-VOTSOKGWSA-N	313.448	1.714	50	20	DDGD	
CCOC(=O)CCC(=O)NNC(=O)c1ccc(Cl)cc1F	175821817	DRLZYKUBAUNPSI-UHFFFAOYSA-N	316.716	1.583	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)NC[C@@H]1CC=CCC1	69240775	VSUWYHVXCRIBGB-GFCCVEGCSA-N	321.352	1.891	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)[C@H]3CCCO3)cc2C1	32259064	VTXMYYGQCZDQIQ-GXSJLCMTSA-N	308.403	1.813	50	20	DDGD	
N#CC(C#N)=CNc1ccc(C(=O)N2CCOCC2)c(F)c1	189364669	RRDUDMYXSITNSU-UHFFFAOYSA-N	300.293	1.641	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNC(=O)Cn1ccc2ccccc21	188848575	GUXPHLABDULBRR-UHFFFAOYSA-N	317.345	1.130	50	20	DDGD	
C[C@H]1CCN(C(=O)NNC(=O)COCc2ccccc2)C[C@@H]1C	128215088	IDPWNUBGKVAYLZ-KBPBESRZSA-N	319.405	1.922	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)n1	127967486	VLXKDIABAKWOCB-NEPJUHHUSA-N	304.398	1.345	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1ccccc1-n1cccn1	184001118	LVMJTFYCQTUXOM-UHFFFAOYSA-N	310.317	1.667	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(-c2cccs2)on1	73569709	NDNPBIPIHWHHJG-UHFFFAOYSA-N	308.388	1.698	50	20	DDGD	
CCSc1cc(CNC(=O)NNC(=O)c2ccc[nH]2)ccn1	188124822	NVAUWUQNOZPPKL-UHFFFAOYSA-N	319.390	1.666	50	20	DDGD	
Cc1cc(C)c2nc(C3CC3)cc(C(=O)NNC(=O)CO)c2c1	182773657	GELCHXQFHGVVMI-UHFFFAOYSA-N	313.357	1.482	50	20	DDGD	
O=C(NNC(=O)c1ccc(-c2ccco2)[nH]c1=O)c1ccc[nH]1	122389648	XNZLPAUWHDPYRU-UHFFFAOYSA-N	312.285	1.038	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNc1ccccn1)N1CCOCC1	79101660	ZNULSAUFANSKHQ-ZDUSSCGKSA-N	307.398	1.065	50	20	DDGD	
CCCCNC(=O)NNC(=O)CSCc1cscn1	128964010	WJYVNSLUEKDYEP-UHFFFAOYSA-N	302.425	1.507	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNc1ccc(C(F)(F)F)nn1	123791706	SAFGHRBZNGYDDV-QMMMGPOBSA-N	304.272	1.920	50	20	DDGD	
CC[C@H]1C[C@@H](C(=O)NNc2nccc(N(CC)CC)n2)CCO1	184209044	PXAZFRINIGWMMF-STQMWFEESA-N	321.425	1.971	50	20	DDGD	
COc1cccc(NNC(=O)Cc2ccc3c(c2)NC(=O)C3)n1	183954167	ARIGNANVMITLCW-UHFFFAOYSA-N	312.329	1.271	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1cncc(Br)c1	184748319	PMMWTPQEGLOAAN-WZUFQYTHSA-N	324.178	1.904	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cccn2C)cnn1C(C)(C)C	192900834	BVPPVARTUDVHHI-UHFFFAOYSA-N	303.366	1.360	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccccn2)oc2c1C(=O)CCC2	41686931	MJNQHVFSQUBSCC-UHFFFAOYSA-N	313.313	1.577	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cc(C)c(C(=O)O)s1	48654638	ZBCSZCFPTBYKIB-LURJTMIESA-N	320.392	1.110	50	20	DDGD	
Cn1c(C(=O)NNC(=O)N2CCOCC2)cc(Cl)c1Cl	194897518	ZGIYUUOAHNXUQY-UHFFFAOYSA-N	321.164	1.019	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)c1cc(C2CC2)[nH]n1	142614868	CBPHFNSPUOKZHS-UHFFFAOYSA-N	314.345	1.517	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(F)cc(F)c1	94121014	UWQUBTOAKZUFQI-UHFFFAOYSA-N	305.375	1.437	50	20	DDGD	
COc1cc(C=NNC(=O)c2cc(C)n[nH]2)ccc1OC(C)=O	254848365	HFWCUXUSAAZLQA-UHFFFAOYSA-N	316.317	1.416	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@H]1CCCc2cn[nH]c21	269059361	YRYKGAIPBOTOLZ-QMMMGPOBSA-N	307.745	1.557	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)CCOCC)cc1OC	264014625	YGNDMGBSDXRFBJ-UHFFFAOYSA-N	324.377	1.672	50	20	DDGD	
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1cccnn1	269146200	HJTGLFXEZGIEBJ-NSHDSACASA-N	323.397	1.859	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@H]2CCCCO2)c1OC	269398104	DDCHCHUSVYCJBW-GFCCVEGCSA-N	308.334	1.034	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COCCO1)c1cccc2ccccc12	266028510	YUBCYELGBMKKOZ-AWEZNQCLSA-N	300.314	1.016	50	20	DDGD	
Cc1cc(Cl)ccc1NC(=O)C(=O)NNC(=O)C1CCC1	274059639	IHSQECJSURFJHF-UHFFFAOYSA-N	309.753	1.534	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1C[C@H](F)CN1	275557955	DQGQWIYPAZURPM-IONNQARKSA-N	302.693	1.391	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccnc(O[C@@H]2CCOC2)c1	273463258	DMOCUSXVDIDUKO-GFCCVEGCSA-N	307.350	1.056	50	20	DDGD	
O=C(NNc1cccc2c1CCCC2)C(=O)Nc1cncnc1	275643511	FGZDPCXYDJKGES-UHFFFAOYSA-N	311.345	1.437	50	20	DDGD	
Cc1cc(C)cc(CCC(=O)NNc2nccn(C)c2=O)c1	272282990	TZTBKOLZJNIRGY-UHFFFAOYSA-N	300.362	1.473	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2ccnc(C)c2)nc1C	279701265	JJWGAKKCGFLIKA-UHFFFAOYSA-N	315.333	1.422	50	20	DDGD	
CSSCCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1	375174891	PRCYCRKFKROXHC-MNOVXSKESA-N	305.469	1.160	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(NC(=O)NC(C)C)cc1	286244738	GREHOCAFSFIYOO-UHFFFAOYSA-N	308.338	1.560	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CN1CCCCC1=O	288587957	HCSWVMVLIIQBGN-UHFFFAOYSA-N	306.322	1.359	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)c1	282762313	UETHHEOSHYWKAK-WOSRLPQWSA-N	320.389	1.643	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)nn1	288105925	XJORRAOOZVHUQJ-SDDRHHMPSA-N	317.393	1.625	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cc(C(C)C)on1	285340849	SSZZWQSNSCYHIB-UHFFFAOYSA-N	303.409	1.864	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2cccc(F)n2)[C@@]12CCCO2	286937461	VRGMJQATJRGMFA-HFAKWTLXSA-N	324.356	1.573	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C1=C(C)OCCS1	287255521	AQDWOHIHGBNVBE-UHFFFAOYSA-N	308.359	1.451	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@@H]1CC(=O)c2ccccc21	281339356	UQLUSUGAHMXUMI-SECBINFHSA-N	315.251	1.249	50	20	DDGD	
O=C(CCCc1nc(-c2cccs2)no1)NNc1nnc[nH]1	293833117	GSIMACSDALYSHE-UHFFFAOYSA-N	319.350	1.382	50	20	DDGD	
CSc1cccc(NC(=O)NNC(=O)c2cccc(C)n2)n1	806780371	NACQWAAVMSUZFT-UHFFFAOYSA-N	317.374	1.973	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NNc1cc(C(F)(F)F)ccn1	295783595	YGMOOKDCHQLPHF-MRVPVSSYSA-N	319.287	1.381	50	20	DDGD	
O=C(NCCn1ccnc1)NNc1ccc2c(=O)[nH]ccc2c1	806312165	NEZLXDPEQVQLCU-UHFFFAOYSA-N	312.333	1.051	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1cccc(OC(C)C)c1	296950617	NSQXOUOKHKXCEI-UHFFFAOYSA-N	322.365	1.105	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1C1CC1)Nc1ccc2c(c1)OCO2	802096819	GPAURVPKTHCRHW-WDEREUQCSA-N	303.318	1.614	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNC(=O)Nc2ccccc2)nn1	801990456	KQJNEZYAFKDJPO-UHFFFAOYSA-N	302.338	1.500	50	20	DDGD	
CC(C)(CCC(=O)NNc1nc(-c2cccnc2)no1)[N+](=O)[O-]	294625220	NVOYZWFIMBHGGR-UHFFFAOYSA-N	320.309	1.410	50	20	DDGD	
CC(C)C(=O)Nc1cc(C(=O)NNC(=O)OC(C)(C)C)ccn1	292799095	WEMCVBYRLMZNHW-UHFFFAOYSA-N	322.365	1.846	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CC1CC1)c1ccc2c(c1)OCCO2	294178010	ODLXXOKZQCBSIN-UHFFFAOYSA-N	318.373	1.683	50	20	DDGD	
C[C@H](CNC(=O)NNc1ccc(-n2ccnc2)nn1)C1CC1	805183691	KFVZWAYEJDEZHB-SNVBAGLBSA-N	301.354	1.335	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)NC[C@@H]2C[C@H]2c2ccccc2)O1	297220822	FEGFMHMCKSSQBW-MXAVVETBSA-N	317.389	1.688	50	20	DDGD	
Cc1csc(=O)n1CCC(=O)NNC(=O)Nc1ccccc1	801991823	YBNGHJFALLEQKN-UHFFFAOYSA-N	320.374	1.461	50	20	DDGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cn(CC(=O)O)nn2)cc1C	809160586	UPRORMIIHYZQEE-AWNIVKPZSA-N	310.313	1.769	50	20	DDGD	
Cc1nc2ccc(NC(=O)NNc3cccc(F)n3)cn2n1	809896482	NRANRHZAKDKWHP-UHFFFAOYSA-N	301.285	1.720	50	20	DDGD	
CCOC(=O)COc1ccc(NC(=O)NNC(=O)CC)cc1	800561243	WXDAQBJOOUAZDL-UHFFFAOYSA-N	309.322	1.191	50	20	DDGD	
Cc1ccoc1CN(C)CC(=O)NNC(=O)c1ccc(F)cc1	292429618	VZXCFFKDFNWQTK-UHFFFAOYSA-N	319.336	1.620	50	20	DDGD	
CC[C@H](C)C(=O)NN=C1C(=O)N(CCN(C)C)c2ccccc21	807964648	PQYPTXKCJBHFAE-LBPRGKRZSA-N	316.405	1.461	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Nc1cc(F)cc(F)c1)c1cnn(C)c1	802003709	VDJJTXJKLHDIIH-MRVPVSSYSA-N	323.303	1.655	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccccc1OC1CC1	291569341	SPWYYFIIAIQTKT-UHFFFAOYSA-N	307.350	1.208	50	20	DDGD	
CC[C@@H](C)Oc1cc(C(=O)NNC(=O)[C@H]2CCCCO2)ccn1	295365769	JQBGVUWNIRNDPX-DGCLKSJQSA-N	321.377	1.589	50	20	DDGD	
O=C(NNc1ncccc1F)[C@H]1CC(=O)N(c2ccccc2)C1	804218942	MOKPEKKKLUUBSL-NSHDSACASA-N	314.320	1.717	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCOc2ccccc21)[C@H]1CCCCO1	295648249	UQWKJTUAWLRISS-TZMCWYRMSA-N	304.346	1.269	50	20	DDGD	
COCCOc1cncc(C(=O)NNc2nccnc2Cl)c1	801622595	XQAORQDJEOCJEQ-UHFFFAOYSA-N	323.740	1.307	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)[C@H]1CCCCO1)c1ccccc1F	295283779	CWWXLIQAMOPMHG-CZUORRHYSA-N	324.352	1.404	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc(N2CCCC2)nc1	295562230	MWDLXNUZAIHMNU-CYBMUJFWSA-N	318.377	1.012	50	20	DDGD	
C[C@@H](Sc1nnnn1C1CC1)C(=O)NCCCSC#N	819699126	UEZBOGAERYQRLE-MRVPVSSYSA-N	312.424	1.209	50	20	DDGD	
C[C@@H](CCOc1ccccc1)C(=O)NNC(=O)c1ccnnc1	817693546	NFOAVAOUDGVHPQ-LBPRGKRZSA-N	314.345	1.343	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H]2CCc3nnc(C)n3C2)cc1	817900238	ZVPFVOOUBLGHDV-GFCCVEGCSA-N	315.377	1.691	50	20	DDGD	
CCN(CC)[C@@H](C(=O)NNc1cnnn1C)c1ccccc1	816771370	JWJRMPJHYGKFAN-CQSZACIVSA-N	302.382	1.341	50	20	DDGD	
CC(C)(C)c1cnc(C=NNC(=O)C(=O)N2CCCC2)s1	814824709	HONKHTNHAQMEQG-UHFFFAOYSA-N	308.407	1.513	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)c2ccc(N)cc2)n1C	814690400	IMGUZROMRNMTBX-UHFFFAOYSA-N	300.318	1.158	50	20	DDGD	
C[C@](C#N)(CC(=O)O)C(=O)NNC(=O)CCC1CCCCC1	819847352	LKERFHJOIKWRCX-OAHLLOKOSA-N	309.366	1.499	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccn(C)n2)c1C	727364945	IHGPPLACNBVHBJ-LBPRGKRZSA-N	316.361	1.265	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NN=Cc1cc(CO)ccc1O	814729623	ZIQFDMJWVYHZMU-UHFFFAOYSA-N	324.340	1.385	50	20	DDGD	
Cn1c(N)nc(Cl)c1C=NNC(=O)c1c[nH]c2ccccc12	814699638	QGCAYVRQOGNVHF-UHFFFAOYSA-N	316.752	1.901	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@]1(c2ccccc2)CCC(=O)NC1	816831236	LGXUYUSVUHKBQX-QGZVFWFLSA-N	317.389	1.028	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc3ccccc3n2CC#N)n1	729312677	DWSBVWCANBVHOE-UHFFFAOYSA-N	322.328	1.720	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl	829531608	PHFZXVJZDAAZKY-CABZTGNLSA-N	322.236	1.306	50	20	DDGD	
CCOC(=O)Nc1ccc(C(=O)NNC(=O)NC(C)C)cc1	490894226	KDUBXSAFQJTMSU-UHFFFAOYSA-N	308.338	1.607	50	20	DDGD	
Cc1csc(NC(=O)NNc2ccc(-c3nn[nH]n3)cc2)n1	826321221	VXWMKHXVDJCXPI-UHFFFAOYSA-N	316.350	1.780	50	20	DDGD	
Cc1ccc([C@@](O)(CC(=O)NNC(=O)C2CC2)C(F)(F)F)o1	820147994	BVJMLIUVPVCROC-LBPRGKRZSA-N	320.267	1.285	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NN(C)C(N)=O	497187796	SIGVTWAQRUIURE-VIFPVBQESA-N	302.375	1.064	50	20	DDGD	
Cn1c(Cl)cnc1C=NNC(=O)CNC(=O)OC(C)(C)C	497262980	RSASHDOSGGIUKK-UHFFFAOYSA-N	315.761	1.048	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(CSc2nc[nH]n2)cc1	823842816	ZZCHWEATSVOZAD-UHFFFAOYSA-N	321.406	1.056	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1ccc(Cl)cc1O	823327310	DGKKOIGLCWAEJN-UHFFFAOYSA-N	319.748	1.919	50	20	DDGD	
CC(=O)NCC(=O)NNC(=S)Nc1ccccc1C(C)C	727174377	UWPOSYWOIVODDI-UHFFFAOYSA-N	308.407	1.264	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNC(=S)N[C@H](C)C1CC1)C(C)C	824327282	DKPHXOGSRLSPAY-KOLCDFICSA-N	315.439	1.116	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C(C)(C)C)N(C)C(=O)OC(C)(C)C	822253170	UELHAXYMCIVRPO-SNVBAGLBSA-N	315.414	1.825	50	20	DDGD	
COC[C@H](NCc1ccc(B(O)O)cc1)c1ccc(F)c(F)c1	585033538	DQUJEKFDJUSHMZ-INIZCTEOSA-N	321.132	1.122	50	20	DDGD	
CC(C)[C@@H]1CC[C@H](C)CCN1C(=O)c1ccc(B(O)O)cc1	584948624	MUDQYXCWSIXIND-BBRMVZONSA-N	303.211	1.653	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC[C@@H]1/C=C\c1ccccc1	828755697	PJHFNSXAJCQITR-BLIJAFNYSA-N	315.417	1.968	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@H]2COc3ccccc3C2)cn1	822239358	QNXFMAKSVNAXRL-CWSGUEHPSA-N	322.368	1.695	50	20	DDGD	
OB(O)c1cccc(CN[C@H]2CCOc3c(F)cccc32)c1	585036298	DFAWZUAFAUQQHY-HNNXBMFYSA-N	301.126	1.119	50	20	DDGD	
C[C@@H](CN1CCOCC1)NC(=O)/C(C#N)=C/c1ccc(O)cc1	490911412	VAOIXIGGISAZKZ-LERPTODRSA-N	315.373	1.136	50	20	DDGD	
CCC(CC)[C@H]1C[C@@H](NCc2ccc(B(O)O)cc2F)CCO1	585034766	UDDGMWOBZUZNFC-DOTOQJQBSA-N	323.217	1.579	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C	823959189	CYARMAAFSHFCTQ-NWDGAFQWSA-N	315.414	1.120	50	20	DDGD	
C[C@@H]1COCCN1CCNC(=O)NNc1c(F)cccc1F	735759892	IFLIHZZLALEXAW-SNVBAGLBSA-N	314.336	1.312	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H](C)CC(=O)c1ccc(OC)cc1	822781651	FHZFYCYLJSNWQT-SNVBAGLBSA-N	307.350	1.254	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCO[C@H](c2cccc(F)c2)C1	827654948	HEIFGFPINKCVID-AWEZNQCLSA-N	323.368	1.002	50	20	DDGD	
Cc1noc(C2CN(C(=O)[C@@]3(C)C[C@H]3Br)C2)n1	907760773	WUNKJYJUCYSNNB-KCJUWKMLSA-N	300.156	1.477	50	20	DDGD	
COC(=O)c1cc(NNC(=O)COC(F)(F)F)ccc1F	821880452	MSTXQQIZSYTSDC-UHFFFAOYSA-N	310.203	1.592	50	20	DDGD	
O=C1CCCCN1c1cccc(NCc2ccc(B(O)O)o2)c1	585012233	QIQVDXQKYTYKQM-UHFFFAOYSA-N	314.150	1.088	50	20	DDGD	
Cc1ccc(CNCc2ccc(B(O)O)o2)c(N2CCCC2)c1	585028540	MWBREXROZINJLA-UHFFFAOYSA-N	314.194	1.158	50	20	DDGD	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CC[C@H](B(O)O)C1	585069164	LXWMSMAWBCZLBI-LXTVHRRPSA-N	311.231	1.539	50	20	DDGD	
C[C@H](c1ccc(NC(=O)NNC(=O)O)cc1)N1CCOCC1	736718708	VFMMVGNKPHQGTO-SNVBAGLBSA-N	308.338	1.384	50	20	DDGD	
CCC1(CNC(=O)NN=c2sc3ccccc3n2C)COC1	836631571	ZTLDLMPCSDZEPM-UHFFFAOYSA-N	320.418	1.781	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1ccc(Cn2cccn2)o1	735688904	FNNFLZXUMYWCNO-UHFFFAOYSA-N	318.724	1.725	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc2cccnc2s1	838222207	JWGAYPBXJAODOE-QMMMGPOBSA-N	321.358	1.399	50	20	DDGD	
CC(=O)c1[nH]c(CC(=O)N2CC=C(C#N)CC2)c(C(=O)O)c1C	833400259	JRNPLONNKRFUBO-UHFFFAOYSA-N	315.329	1.449	50	20	DDGD	
OB(O)[C@H]1CCN(c2ncnc3sc4c(c23)CCCC4)C1	585073878	PIRNSVCDHFGJJI-VIFPVBQESA-N	303.196	1.623	50	20	DDGD	
O=C(CCOc1ccc(F)cc1)NNC(=O)[C@@H]1CCCCO1	833778761	JDXQHYHYPVSUHW-ZDUSSCGKSA-N	310.325	1.311	50	20	DDGD	
CCC(C)(C)OCC(=O)NNC(=O)CCOc1ccccc1	837379595	WXTMDHABVCERHV-UHFFFAOYSA-N	308.378	1.808	50	20	DDGD	
C[C@@H]1CC[C@@H](CNC(=O)NNC(=O)Cc2ccccc2F)O1	838747055	YFHABQHIEIDELL-PWSUYJOCSA-N	309.341	1.266	50	20	DDGD	
C[C@H]1C[C@H]1c1ccc(-c2nc(-c3ccc(B(O)O)cc3)no2)o1	585050584	DGHSYOFDZAEQEA-JOYOIKCWSA-N	310.118	1.800	50	20	DDGD	
O=C(NNc1cc(F)ccc1Br)[C@@H]1COCCO1	839882241	XQQFGVSGFKSHAS-JTQLQIEISA-N	319.130	1.447	50	20	DDGD	
COCCS(=O)(=O)CC(=O)NNc1c(C)cccc1Cl	836934612	PMSAGOHTUBEPST-UHFFFAOYSA-N	320.798	1.153	50	20	DDGD	
COc1ccc(CCNC(=O)NNc2ccncn2)c(OC)c1	836262085	LTXNIHLOFUNNJZ-UHFFFAOYSA-N	317.349	1.363	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)ccc1Cl	833243687	WLUJCITYXNEWBD-LBPRGKRZSA-N	307.737	1.542	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1ccc(C(=O)O)cc1C	905483349	HJZQZLWUKCWYMY-FZMZJTMJSA-N	304.346	1.958	50	20	DDGD	
CC1(C)C[C@H](NC(=O)NNC(=O)[C@H]2CCCCO2)C(C)(C)O1	836392605	JVHLIOJANQYVFS-MNOVXSKESA-N	313.398	1.232	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCSc3ccc(F)cc32)o1	585015085	OCYBGSBFLKEMDZ-GFCCVEGCSA-N	307.155	1.425	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2cn(C)nc2C2CC2)cs1	901143001	CWTHSFNNOKIPRS-UHFFFAOYSA-N	303.391	1.755	50	20	DDGD	
C[C@H]1Oc2cc(F)ccc2[C@@H]1NCc1cccc(B(O)O)c1	585040800	QDGYEWVEUCAOLW-QLJPJBMISA-N	301.126	1.117	50	20	DDGD	
CCO[C@H](CCN(C)C)CNC(=O)[C@]1(C)C[C@H]1Br	906941161	LZEDNCIXZWESAN-NQBHXWOUSA-N	321.259	1.633	50	20	DDGD	
O=C(CN[C@H]1CCC[C@@H]2C[C@H]12)NNC(=O)c1ccc(F)cc1	839195784	HDVDRAQYOMKJBL-XBFCOCLRSA-N	305.353	1.365	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CN2[C@@H](C)CC[C@@H]2C)c(F)c1	837209385	LCRNPHDMVHCDNI-QWRGUYRKSA-N	323.368	1.928	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=C1CCOC2(CCC2)C1	834938244	XPOCOOXPAWRILF-UHFFFAOYSA-N	322.390	1.219	50	20	DDGD	
CCCCCOc1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cc1	585070633	BHSWGVDNAUPVEY-CQSZACIVSA-N	305.183	1.945	50	20	DDGD	
NC(=O)c1ccc(CN(C2CC2)S(=O)(=O)CCl)c(F)c1	831606332	LVIKDPPETWCKLX-UHFFFAOYSA-N	320.773	1.415	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc(C#N)c(Cl)c1	831077101	FZEKUXRTWKPAFI-GZMMTYOYSA-N	322.752	1.789	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H](C)C[C@@H](C)N)c(F)c1	831224066	WBIOOJVZTRORCX-BDAKNGLRSA-N	312.345	1.364	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)NNC(=O)N=c2cc[nH]cc2)[C@H](C)C1	836299958	LQGRIWHYRHMHJQ-WZRBSPASSA-N	305.382	1.664	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C1=CC[C@H](C)CC1	838344388	CUANRNOJRBSQTR-RYUDHWBXSA-N	310.394	1.858	50	20	DDGD	
CC(=NNC(=O)Cc1csc(C)n1)c1cc(O)ccc1O	916320257	LLCQMVAODLUSCK-UHFFFAOYSA-N	305.359	1.946	50	20	DDGD	
CCOC(=O)C1(CNC(=O)NNc2ccc(F)cn2)CCC1	741274897	NPVRUOZCMLCMNF-UHFFFAOYSA-N	310.329	1.580	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC[C@H]2CCCCN2)c(F)c1	841922616	PTENGEVSJCPWSS-LLVKDONJSA-N	324.356	1.381	50	20	DDGD	
CC[C@@H](N)CNC(=O)NNC(=O)Cc1ccc2ccccc2c1	842005709	JSRSRIBFBBGQCS-OAHLLOKOSA-N	314.389	1.450	50	20	DDGD	
Cc1[nH]c2ccc(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)cc2c1C	843973524	IOAPIARKMYRSPD-WCQYABFASA-N	315.373	1.971	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccncc1)c1ccc(Cl)cn1	919685535	ORSZKNRUYVJFHB-UHFFFAOYSA-N	319.752	1.027	50	20	DDGD	
CC1(C)Cc2cc(C(=O)NNC(=O)[C@H]3CCCCO3)ccc2O1	843602635	VBFJETKXFHZZOJ-CQSZACIVSA-N	318.373	1.730	50	20	DDGD	
CCc1ccc([C@@H](C)C(=O)NNC(=O)CN2CCCC2=O)cc1	913730596	BDKGWLPSNISNAM-GFCCVEGCSA-N	317.389	1.122	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cc2ccccc2nc1O	748252497	FXHCPJWEPKLZPP-LLVKDONJSA-N	317.345	1.442	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@H]2CCC(=O)C2)cc1	843754689	YWFSXOWHDBIPCC-NSHDSACASA-N	306.387	1.604	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cc[nH]c2C)cc1C	749864918	CINNIJCANIBYCH-UHFFFAOYSA-N	301.346	1.780	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccnn1CCc1ccccc1	910139189	QEITVIGNRDEQKD-ZDUSSCGKSA-N	302.378	1.083	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)C1(n2cnnn2)CCCCC1	848085169	PXMALRAOSOCISS-UHFFFAOYSA-N	306.197	1.595	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CN1CCc2ccccc21	919963347	DLRZFCVECANTCD-UHFFFAOYSA-N	309.369	1.819	50	20	DDGD	
Cc1nc(CC(=O)NN=C2C(=O)N(C)c3ccccc32)cs1	916320531	ZWOXIDIWLXKHQN-UHFFFAOYSA-N	314.370	1.491	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1Cc2ccccc21	742036765	OXKPKCNBQWSSGD-CQSZACIVSA-N	320.352	1.744	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC(C(N)=O)CC2)C[C@H]1Br	856900167	JUTQEKSPDBOUGA-BXKDBHETSA-N	318.215	1.067	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2ccc(C)nn2)o1	841621995	JXRFXXVFIBJJMU-UHFFFAOYSA-N	315.377	1.984	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NN=C1CCS(=O)(=O)C1	915972824	WBNHYKOSPNERDW-UHFFFAOYSA-N	316.382	1.673	50	20	DDGD	
Cn1c(C(=O)NNC(=O)CCc2ccccc2)ccc1[N+](=O)[O-]	749802478	FCJNYTWHBAQTNZ-UHFFFAOYSA-N	316.317	1.327	50	20	DDGD	
Cc1cc(O)c(C=NNC(=O)[C@@H](C)CN2CCOCC2)cc1C	741756400	JEEOFSDMGAMCMQ-AWEZNQCLSA-N	319.405	1.427	50	20	DDGD	
COC(=O)[C@H](NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccccc1C	843289548	UEWSXKOCEDIIFQ-MRVWCRGKSA-N	306.362	1.255	50	20	DDGD	
Cc1ccc(F)c2c1NC(=O)C2=NNC(=O)Cc1ccncc1	747646033	LCUVUPXNWPDVGN-UHFFFAOYSA-N	312.304	1.544	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CCCC[C@H]1CN	841950590	UWWXFCLSLADTTG-GXTWGEPZSA-N	304.394	1.457	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)C[C@H](OC)C1CCCC1	849303605	GSVMTMAVIDNTRA-PWSUYJOCSA-N	306.428	1.188	50	20	DDGD	
CC1(CNC(=O)NNC(=O)c2ccc(Cl)cc2)CCNCC1	841969841	PLKWJKHBMBFTJR-UHFFFAOYSA-N	324.812	1.674	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cncc(Br)c1	842562689	RMFLHOKYZXNCPR-KWQFWETISA-N	312.167	1.719	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)Cc2ccc(F)cc2)sn1	756856043	JFVWTAOGRYEOEE-UHFFFAOYSA-N	308.338	1.986	50	20	DDGD	
O=C(NNC(=O)c1ccc([N+](=O)[O-])s1)OCC(F)(F)F	856026881	PXEVPUUYRQOMAJ-UHFFFAOYSA-N	313.213	1.590	50	20	DDGD	
O=C(NC[C@@H]1COCO1)NNc1cc(Cl)cc(Cl)c1	923849110	GHGVEXBXHRDLFC-SNVBAGLBSA-N	306.149	1.992	50	20	DDGD	
COC[C@@H](CNC(=O)NNc1ccc([N+](=O)[O-])cc1F)OC	853972958	HTHFVVLRXAYUBW-SECBINFHSA-N	316.289	1.021	50	20	DDGD	
C[C@@]1(CNC(=O)CCOC2CCOCC2)C[C@H]1Br	857393957	NVZIAEZGZHAHGB-YPMHNXCESA-N	320.227	1.862	50	20	DDGD	
NC[C@H]1OCC[C@@H]1C(=O)NN=C(c1ccccc1)c1ccccc1	852799568	FZKOZVYJVOSPHA-DLBZAZTESA-N	323.396	1.919	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NNc2ncccc2[N+](=O)[O-])C1	857860399	MCJPHBSJWGKTRT-SCZZXKLOSA-N	316.321	1.522	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)c2c[nH]c3ccccc23)ncn1	757046867	YUQRYXCTAZMRNE-UHFFFAOYSA-N	324.344	1.411	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NC[C@@H]1CCN(C(N)=O)C1	854432688	BJJQINWBSOEGOE-ALFJJAPYSA-N	316.336	1.249	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2cc(C)[nH]n2)c1C	853765873	MBOLZAHTMZDPSX-UHFFFAOYSA-N	317.349	1.639	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@H]2C=NNC(=O)[C@@H]2CCCOC2)cn1	853358921	JAELBJMYGXBIQD-GZBFAFLISA-N	320.393	1.416	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C)c1ccc[nH]1	853372206	JYLWQDSGLCDDQO-TZMCWYRMSA-N	315.377	1.756	50	20	DDGD	
COC(=O)c1cnn(CC(=O)OC[C@H](C)CBr)c1	859973457	YXPVEIDJYGQESP-MRVPVSSYSA-N	319.155	1.244	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)c2c[nH]nc2C)C[C@@H]1C	758109754	KZPSIISUHLBSIS-JOYOIKCWSA-N	306.366	1.803	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)C[C@H]1C	758724159	JHRDWQPCVKHBGA-NRWUCQMLSA-N	317.455	1.192	50	20	DDGD	
CC1(O)CCN(C(=O)NC[C@]2(C)C[C@@H]2Br)CC1	856897980	UZUNAGNYTZXGFJ-ONGXEEELSA-N	305.216	1.716	50	20	DDGD	
C=C(CBr)COC(=O)c1cc2n(n1)CCCC2=O	923379816	SPCMEPMRUXIQCL-UHFFFAOYSA-N	313.151	1.968	50	20	DDGD	
CC(C)[C@@H](NS(=O)(=O)CBr)c1cnn(C)c1	921846184	UFYMKLOGERUUFT-SECBINFHSA-N	310.217	1.389	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCc2cc(F)ccc21	850271463	XNWGGAMGOZLQEW-NOZJJQNGSA-N	322.336	1.345	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@H]2CCN(C(C)C)C2)c1	858279251	WFSJIOJKUHPPFW-GFCCVEGCSA-N	324.450	1.731	50	20	DDGD	
Cc1nn(C)cc1CC(=O)NC[C@]1(C)C[C@H]1Br	857385827	MGWICTFGNFYFKK-PWSUYJOCSA-N	300.200	1.561	50	20	DDGD	
CCCn1nccc1C=NNC(=O)c1cncc(NC(C)=O)c1	853323076	OJGOZVVMYJOAEI-UHFFFAOYSA-N	314.349	1.410	50	20	DDGD	
Cc1nn(C)c2ncc(NC(=O)NNC(=O)CC3CC3)cc12	755847790	MEXXPEUMKZFFJD-UHFFFAOYSA-N	302.338	1.230	50	20	DDGD	
CC(C)[C@H](CCO)NC(=O)NC[C@]1(C)C[C@H]1Br	856956638	SIJLFBWHECWKFJ-UMNHJUIQSA-N	307.232	1.866	50	20	DDGD	
CCC[C@@H](CNC(=O)NNC(=O)Cc1ccncc1)OCC	858681635	IGSUHXWFPVFBJH-ZDUSSCGKSA-N	308.382	1.160	50	20	DDGD	
CC[C@H](CN1CCCC1)NC(=O)NNc1ccc(Cl)nn1	758843602	BPWDKNUSFLMDJA-SNVBAGLBSA-N	312.805	1.631	50	20	DDGD	
CC(C)Cc1ncc(C(=O)NNC(=O)c2cnn(C)c2)s1	933088812	SBKCLEOKSZPFEG-UHFFFAOYSA-N	307.379	1.150	50	20	DDGD	
CCn1nccc1C=NNC(=O)c1nnc(O)c2ccccc12	753689151	BFZSHGKMDHAEPW-UHFFFAOYSA-N	310.317	1.316	50	20	DDGD	
CC(C)(C)OC(=O)NC1CCC(=NNC(=O)c2cn[nH]c2)CC1	863154874	OPICEOWQLYEZEH-UHFFFAOYSA-N	321.381	1.963	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2ccccc2OC2CCCC2)N1	863145073	IVGGMUCBVJJVAK-AWEZNQCLSA-N	315.373	1.737	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc2cc(O)ccc12	869068166	NKAUWAKPUVHQKI-GXFFZTMASA-N	314.341	1.731	50	20	DDGD	
Cc1nnc(NNC(=O)Cc2ccc(F)cc2Cl)nc1O	767852003	PAAJVVQEPUKPAW-UHFFFAOYSA-N	311.704	1.364	50	20	DDGD	
C[C@@H]1CO[C@@H](CO)CN1C(=O)[C@H](Br)C(C)(C)C	768273898	DAWIJDUGZAWHAX-BBBLOLIVSA-N	308.216	1.404	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NNC(=O)c1ccc(Cl)nc1	862992572	GMTYZDMBQNTMGB-JTQLQIEISA-N	310.785	1.369	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C2CCN3CCC[C@H]23)c1	765560466	RWZOOYVWHNWPEU-OAHLLOKOSA-N	303.362	1.658	50	20	DDGD	
CSCCNC(=S)NNC(=O)CSc1ccccc1	769780183	VSYNCHDFMVANDA-UHFFFAOYSA-N	315.489	1.637	50	20	DDGD	
COc1nccnc1NNC(=O)COC/C=C\c1ccccc1	764460872	RIYAKAPFIMCFAI-YVMONPNESA-N	314.345	1.658	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)COC2	764198967	PTJHKVWDCXMADH-UHFFFAOYSA-N	319.361	1.239	50	20	DDGD	
CCC(=NNC(=O)CS(C)(=O)=O)c1ccc2c(c1)CCCO2	863187847	SBNNGCUYTUHKCA-UHFFFAOYSA-N	324.402	1.287	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2cncnc2)c1	760801906	WRRDGMDWZFHXQZ-UHFFFAOYSA-N	301.375	1.725	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCc2cc3c(nc2O)CCC3)cn1	862738903	BUQSVLXREVVTMU-WLRTZDKTSA-N	323.356	1.233	50	20	DDGD	
CC(C)COc1ccccc1C=NNC(=O)[C@@H]1CCC(=O)N1	863151054	GKQQKPRYDURUFD-ZDUSSCGKSA-N	303.362	1.450	50	20	DDGD	
N#Cc1cc(C(=O)NNc2ccnc(Br)c2)c[nH]1	769954994	GIOMDXBQKDBRTN-UHFFFAOYSA-N	306.123	1.801	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)N(C)NC(=O)OCc1ccccc1	862285171	MITHVPZIGHGPOP-UHFFFAOYSA-N	316.361	1.869	50	20	DDGD	
CC(CCc1ccc2c(c1)OCO2)=NNC(=O)c1cn[nH]c1	863156087	LDLCADPWIMJBSV-UHFFFAOYSA-N	300.318	1.877	50	20	DDGD	
Cc1ccccc1C[C@H](C)C(=O)NNC(=O)[C@@H]1CCCCO1	861854700	ZZMMMTGANJLKER-ZFWWWQNUSA-N	304.390	1.890	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)Cc2ccco2)cc1	767511019	MNNXCYJSYISGIH-UHFFFAOYSA-N	316.313	1.135	50	20	DDGD	
CN1CCC(CNC(=S)NNC(=O)Nc2ccccc2)CC1	760467791	MHKGECJSKJCJAA-UHFFFAOYSA-N	321.450	1.529	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC2(CCSCC2)CC1	879200491	LVQPIGOQSWDTEW-UHFFFAOYSA-N	313.467	1.399	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc3cc[nH]c3n2)cc1	779506054	NKPXJAPUKFZCRZ-UHFFFAOYSA-N	305.297	1.509	50	20	DDGD	
CC(=NNC(=O)c1cccn1C)c1cc(C(=O)O)c(C)nc1C	776724908	WTLDUTGKMHEBRZ-UHFFFAOYSA-N	314.345	1.889	50	20	DDGD	
CN1CCC(C(=O)NNc2ccnc(Br)c2)CC1	771533991	YMYTVKIUNMPERR-UHFFFAOYSA-N	313.199	1.629	50	20	DDGD	
Cc1nc(C(C)C)nc(O)c1C(=O)NNc1ccc(F)cn1	874650013	NTBGTKYSZZFQJB-UHFFFAOYSA-N	305.313	1.905	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@@H]1C=CCCC1	778403571	XPAHRAFSLHFCRD-CHWSQXEVSA-N	310.394	1.858	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1ccc2ccccc2n1	872401613	BZHMZEPZGNPGBI-UHFFFAOYSA-N	301.346	1.738	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1CCO[C@@H](C(CC)CC)C1	779394569	DJJDFRXCPWQIMK-CHWSQXEVSA-N	315.414	1.337	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](CO)C2CC2)cc1	771044511	HLZKJOPEYOJVKI-MBSJSRAVSA-N	300.358	1.879	50	20	DDGD	
Cc1ccc(F)cc1C=NNC(=O)C(=O)Nc1ccccn1	777887060	DMXOPYQQIXYHCM-UHFFFAOYSA-N	300.293	1.618	50	20	DDGD	
Cc1nnc(NNC(=O)C(C)(C)Oc2ccccc2)nc1O	1116144730	BBUNPRKFXMIMJK-UHFFFAOYSA-N	303.322	1.186	50	20	DDGD	
CC(C)(C)OCC(=O)NNC(=O)c1cncn1-c1ccccc1	1116493896	OEFZWDVIGICHEU-UHFFFAOYSA-N	316.361	1.448	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](SC)c1ccccc1	772143679	REXPJKMLAVPWNG-MFKMUULPSA-N	324.402	1.580	50	20	DDGD	
C=CC(C)(C)CC(=O)NNC(=O)[C@H]1COc2ccccc2O1	877941468	HAWCNDRDTXOFMP-CYBMUJFWSA-N	304.346	1.576	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CCCC(F)(F)F)c1O	771333842	XAVLHXLINZZOCV-UHFFFAOYSA-N	320.267	1.894	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N[C@H](C)c1ccc(C#N)cc1	775159228	DINFQVLIQPEBHP-OLZOCXBDSA-N	316.405	1.791	50	20	DDGD	
CC(=NNC(=O)CN(C)C)[C@H]1CCN(Cc2ccccc2)C1	779773883	ORUBSALZTARJKC-INIZCTEOSA-N	302.422	1.562	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCc2c(O)cccc21)C1CCOCC1	883068631	BTFTVJAWOZMAES-AWEZNQCLSA-N	318.373	1.386	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)Cc1ccccc1O	772069834	PDDBBRLEONFILB-NSHDSACASA-N	322.361	1.060	50	20	DDGD	
CCn1c(NNC(=O)c2nccs2)nc2ccccc2c1=O	770130883	ZHERIYGPLCNMSP-UHFFFAOYSA-N	315.358	1.630	50	20	DDGD	
COc1cccc(NNC(=O)c2c[nH]c3c(C)cccc3c2=O)n1	776191320	BNWJJIVSCKJEGD-UHFFFAOYSA-N	324.340	1.997	50	20	DDGD	
COc1ccc(O)c(C=NNC(=O)CNC(=O)OC(C)(C)C)c1	777900572	RCKMEZQSLXFYJN-UHFFFAOYSA-N	323.349	1.376	50	20	DDGD	
COc1ccc2c(c1)[C@H](C(=O)NNC(=O)C1CCOCC1)CC2	883068867	KTZSVIGUWPYCNW-CQSZACIVSA-N	318.373	1.299	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2c(Cl)cccc21)C1CCOCC1	883067334	DIDLRGRRILNGGD-ZDUSSCGKSA-N	322.792	1.944	50	20	DDGD	
O=C(CC[C@H]1CC1(Cl)Cl)NNC(=O)c1cccnn1	882056479	WIZQKGHBXGKMJP-ZETCQYMHSA-N	303.149	1.212	50	20	DDGD	
Cc1ccc([C@H](C)NC(=O)NNC(=O)C2CCOCC2)s1	883184674	BXNHMEGRTCWSDY-JTQLQIEISA-N	311.407	1.875	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CCCC(C)=O)cc1	788586906	DMRBQCJUYPWGCU-UHFFFAOYSA-N	306.362	1.535	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CC[C@@H]2CCCCO2)cc1O	882048690	SGIUJVWXJXYMSC-ZDUSSCGKSA-N	306.362	1.811	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc2c(c1)NC(=O)CS2	785835301	LRYDCHQVLWDJEI-UHFFFAOYSA-N	323.378	1.429	50	20	DDGD	
O=S(=O)(CCCCl)NC1CCN(C[C@@H]2CCCO2)CC1	881899867	GXXCUIGPYNQZFH-ZDUSSCGKSA-N	324.874	1.178	50	20	DDGD	
Cc1cc(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)nn1C	788253313	ACUXUKAODCQPEF-UHFFFAOYSA-N	316.365	1.579	50	20	DDGD	
COC(=O)[C@@]1(NC(=O)C2CCC(Cl)CC2)CCSC1	1123773935	AUHUSUPWPHDOJD-SRHKJQAYSA-N	305.827	1.949	50	20	DDGD	
Cc1c[nH]cc(C(=O)NNc2nc(-c3ccccc3)no2)c1=O	781421767	LBFWRXYHGDWKQA-UHFFFAOYSA-N	311.301	1.490	50	20	DDGD	
CC[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C1CCOCC1	883064941	USBQIQXKYCURPK-CYBMUJFWSA-N	324.352	1.557	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)[C@@H](O)C1CCCCC1	783688027	AAPSLBZSWAVIKR-NSHDSACASA-N	318.299	1.880	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cccc(C#N)c1)[C@@H]1CCCOC1	780004685	BBERITOQGQXWKK-SMDDNHRTSA-N	316.361	1.317	50	20	DDGD	
C[C@@H](Cc1ccccc1)NC(=S)NNC(=O)c1cccnc1	786055034	DVQDLSLDFFHNLU-LBPRGKRZSA-N	314.414	1.822	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1[nH]c(-c2ccccc2)nc1C	785458256	SNZJIRMGZNZLCZ-UHFFFAOYSA-N	300.362	1.996	50	20	DDGD	
Cc1cnc2c(C(=O)NC[C@@]3(C)C[C@@H]3Br)cnn2c1	899041333	HWSFXFBBTUNVGM-GXFFZTMASA-N	323.194	1.941	50	20	DDGD	
N#C/C(=C/c1ccccc1)C(=O)OC[C@H]1CCS(=O)(=O)C1	788996956	KAFQVCAUMDLBIQ-HRYODUOUSA-N	305.355	1.571	50	20	DDGD	
COc1ccc(C=NNC(=O)CCN2CCCCCC2)cn1	780200786	MCRUBWZQNYJPSO-UHFFFAOYSA-N	304.394	1.806	50	20	DDGD	
Cc1cc2cc[nH]c2cc1NC(=O)C(=O)NNc1cnccn1	782116030	BCLVYLRKALAGTI-UHFFFAOYSA-N	310.317	1.348	50	20	DDGD	
O=C(NNc1ncncc1Cl)C(=O)Nc1cccc(F)c1	782166666	UCTIEEZLPRHCLW-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
COCc1ncsc1C(=O)NNC(=O)Cc1ccccc1F	786119635	IOLIOWKVLLWBQC-UHFFFAOYSA-N	323.349	1.432	50	20	DDGD	
CC(=NNC(=O)c1csc(N2CCOCC2)n1)[C@@H]1CCCO1	783813949	WWUQKLBGWYKKIP-LBPRGKRZSA-N	324.406	1.264	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NNC(=O)C(F)F)n[nH]1	787479556	GEEFGLMIIJNRBC-UHFFFAOYSA-N	310.260	1.111	50	20	DDGD	
COc1ccccc1C(=O)NCC(=O)NNc1ncccc1C	791215446	QPLYFGZJOFNQOZ-UHFFFAOYSA-N	314.345	1.272	50	20	DDGD	
CCCCNC(=O)NN=C(C)c1ccc2c(c1)OCC(=O)N2	794903413	IAWJJPQWOXRKBX-UHFFFAOYSA-N	304.350	1.841	50	20	DDGD	
Cc1noc([C@H]2CCCCN2CC(=O)NNC(=O)C(C)(C)C)n1	796667132	FZOSESGDNGLNBH-LLVKDONJSA-N	323.397	1.099	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@H]1CCN(CC(F)(F)F)C1	791027364	RBCSZOQPZXPXSP-JTQLQIEISA-N	317.315	1.653	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNc2nc3ccccn3n2)cn1	791243288	PJDCUMYIGPQUGU-UHFFFAOYSA-N	312.333	1.668	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(C=O)cc2)o1	797052950	OAFSKJBJAZSJMW-NSHDSACASA-N	316.313	1.629	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)nc1	793890103	WOXGIKNMPPEYEU-PKKJXTRXSA-N	311.385	1.927	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)c1	799858021	KGHMGPKOUITVMP-ISTVAULSSA-N	322.361	1.278	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C#N)cc1)c1ccnc(O)c1	790287418	GUNCOZLBTMKUNK-UHFFFAOYSA-N	310.313	1.578	50	20	DDGD	
N#CCc1cccc(S(=O)(=O)NNC(=O)NC2CCCC2)c1	794581261	JNRKSJHQLKNQCZ-UHFFFAOYSA-N	322.390	1.188	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC2OCCO2)c2ccccc2n1	799011081	ZRODTWSKRBKSSM-UHFFFAOYSA-N	315.329	1.067	50	20	DDGD	
O=C(CO[C@@H]1CCOC1)NNc1ccc(C(F)(F)F)cc1	1319359294	ATTWMZOSHDUITE-LLVKDONJSA-N	304.268	1.954	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ncoc2[C@@H]2CCCO2)c1Cl	1319214375	GKNDSNAZPQJJJA-ZETCQYMHSA-N	324.728	1.309	50	20	DDGD	
CCOCCNC(=S)NNC(=O)c1ccccc1Cl	1318134656	FZNHABRHWNTCOJ-UHFFFAOYSA-N	301.799	1.485	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCc2ncoc2C)cc1	1319799349	UIKKOJDWNUIPSD-UHFFFAOYSA-N	304.306	1.136	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ncc(Cl)s2)nc1	1322389281	PALDRFNVVAJTSB-UHFFFAOYSA-N	312.738	1.735	50	20	DDGD	
CCc1cc(C(=O)NNc2cccc(C(=O)OC)c2F)nn1C	1328168748	ZECCUYMUYGFACT-UHFFFAOYSA-N	320.324	1.665	50	20	DDGD	
Cc1c(C(=O)NNc2cccc(F)n2)cnn1C1CCOCC1	1322776841	NVNHUTQXDYIYBS-UHFFFAOYSA-N	319.340	1.834	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2)c1ccccc1Cl	1326743359	AKRZVVMPOMRBTH-GDPRMGEGSA-N	306.749	1.716	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1n[nH]c2c1CCCC2)C(F)F	1322374637	OTHKGCMFIAFHJE-UHFFFAOYSA-N	300.309	1.341	50	20	DDGD	
CC(C)[C@@H](C#N)C=NNC(=O)c1nn(C)c(=O)c2ccccc12	1324298259	KPUYCTCNTZXGSY-NSHDSACASA-N	311.345	1.445	50	20	DDGD	
O=C(NNC(=O)[C@]1(F)CCOC1)c1cccc2ncccc12	1322901731	XPQKRGPOQMGNLB-HNNXBMFYSA-N	303.293	1.124	50	20	DDGD	
CC(C)c1ncc(C(=O)NNC(=O)CCc2ccccc2O)[nH]1	1323134764	CTPYSAUAKPYJIB-UHFFFAOYSA-N	316.361	1.633	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@H](c1ccccc1)C1CCC1	1323454352	JUZQXGGQISTIJF-GFCCVEGCSA-N	305.334	1.031	50	20	DDGD	
Cn1cc(C=NNC(=O)C2CCOCC2)c(-c2ccccc2)n1	1330904071	NVPOZJWQMPPVFO-UHFFFAOYSA-N	312.373	1.964	50	20	DDGD	
CC1(C)CNC[C@@H]1NC(=O)NNC(=O)c1c[nH]c2ccccc12	1335692208	NOWIGBLFLSXWLK-ZDUSSCGKSA-N	315.377	1.110	50	20	DDGD	
COCC(=O)NCCC(=O)NNc1c(F)cccc1Cl	1338233606	QAWLWKTVXIOYCV-UHFFFAOYSA-N	303.721	1.075	50	20	DDGD	
COCCN1CCN(C(=O)c2cccc(CCl)c2)CC1=O	1335848149	VUNIIXYTFGPOIL-UHFFFAOYSA-N	310.781	1.356	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)C2CCNCC2)c(Cl)c1	1331404162	PSWIGJJIFDVBRD-UHFFFAOYSA-N	310.785	1.801	50	20	DDGD	
C[C@]1(CNc2ccc(S(N)(=O)=O)cc2)C[C@H]1Br	1336685569	HZXQSKPNDNKMLV-GHMZBOCLSA-N	319.224	1.919	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)N[C@@H]1CCC[C@@H](F)C1	1349077136	QZIRFCGHBNJWHS-VXGBXAGGSA-N	311.332	1.979	50	20	DDGD	
Cn1ccc2c(C(=O)NNc3nncc(N)c3Cl)cccc21	1340598235	AVDFXHQMFHFVNS-UHFFFAOYSA-N	316.752	1.961	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCOC1CCSCC1	1358212366	CZRVWMJZWIKFGW-UHFFFAOYSA-N	310.423	1.928	50	20	DDGD	
NC[C@@H]1CC[C@H](NC(=O)NNc2ccc(C(=O)O)cc2F)C1	1601183653	FOLBHRCKWFGRSP-SCZZXKLOSA-N	310.329	1.277	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)[C@@H]2CO[C@H](CCC(=O)O)C2)c1	1605282203	PYIZPRRZDBEPSW-WDEREUQCSA-N	310.325	1.847	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)cc1F)N[C@@H]1CCN(C2CC2)C1	1601556854	OLCNUIDQPGMRNC-SNVBAGLBSA-N	322.340	1.387	50	20	DDGD	
Cc1nnc(O)c(C(=O)NNc2ccc(F)c(C(=O)O)c2)c1C	1600669210	YYJQXCUUIUASPB-UHFFFAOYSA-N	320.280	1.393	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)N[C@@H]1CO[C@@H](C2CC2)C1	1601556654	GVNHJUOKCPSRGM-GXFFZTMASA-N	323.324	1.718	50	20	DDGD	
Cc1cc(C(=O)O)oc1C(=O)NNC(=O)CCc1ccccc1	1607602962	KRAAYDJGFXEJIR-UHFFFAOYSA-N	316.313	1.680	50	20	DDGD	
O=C(NCC[C@@H]1CCOC1)NNc1ccc(C(=O)O)c(F)c1	1608442087	AOKKWUGKDRKUPZ-SECBINFHSA-N	311.313	1.577	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)CCCC(=O)O	1610297173	ONYAEZDTGTUFNT-UHFFFAOYSA-N	314.725	1.365	50	20	DDGD	
O=C(C1CCC(Cl)CC1)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21	1548715927	SRFNPPPBCAMETB-TYUFSLCMSA-N	319.854	1.962	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C[C@@H]1CCCO[C@@H]1c1cnn(C)c1	1552455259	UDMDKDIPZZBWQM-JURCDPSOSA-N	320.393	1.415	50	20	DDGD	
Cc1ccccc1NNC(=O)c1cnn2cc(CCN)cnc12	1579804564	GGCUBYGCIZFXSW-UHFFFAOYSA-N	310.361	1.296	50	20	DDGD	
CNC1(C(=O)NNC(=O)CSc2ccc(C)cc2)CCC1	1578592893	GXSHQBVBZZPZGY-UHFFFAOYSA-N	307.419	1.377	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2CCNCC2(C)C)cc1	1579194491	PDZDZWKJEKQAJI-ZDUSSCGKSA-N	320.393	1.027	50	20	DDGD	
Cc1ccc(C[C@H](C)C(=O)NN(C)C(=O)N2CCNCC2)cc1	1579684604	MUTFIJRIELMYBF-AWEZNQCLSA-N	318.421	1.162	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)CN)C1	1842866635	IXADOPKOPJARKJ-NWDGAFQWSA-N	315.845	1.192	50	20	DDGD	
COCCC(=O)N1CCCC12CN(C(=O)C(Cl)Cl)C2	1842774238	AQSZKQLSYRTLCO-UHFFFAOYSA-N	309.193	1.030	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)ccc1C(=O)NN[C@@H](C)C(F)(F)F	1591863011	HKNXCGGMXMHABN-ZETCQYMHSA-N	314.271	1.360	50	20	DDGD	
C[C@]1(CNc2ccc(-c3nn[nH]n3)nn2)C[C@@H]1Br	1590135239	JKTJOYGHJPXSII-OIBJUYFYSA-N	310.159	1.242	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)NNc2ccc(F)c(C(=O)O)c2)CN1	1594315382	WUHYXAGPENAOQJ-SCZZXKLOSA-N	310.329	1.291	50	20	DDGD	
COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)CC(C)C)C1	1842632798	RZDJJBZLKLRBMU-GFCCVEGCSA-N	316.829	1.490	50	20	DDGD	
O=C([C@@H](F)Cl)N1CCCC12CN(C(=O)C13CC(C1)C3)C2	1843367181	LJTRIYWXJUEVOH-RUETXSTFSA-N	300.761	1.524	50	20	DDGD	
COc1ccc(NC(=O)NN(C)C2CC2)cc1-c1nn[nH]n1	1591613962	LLZKLWWRGSKJDA-UHFFFAOYSA-N	303.326	1.006	50	20	DDGD	
CCC(CC)(CC(=O)O)NC(=O)/C(C#N)=C\c1cnn(C)c1	1595048758	LCAPTAUBIHOTQZ-SDQBBNPISA-N	304.350	1.477	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Nc2cccc(C(=O)O)c2)c1	1594625861	PPGVBLMABVJCEG-UHFFFAOYSA-N	324.296	1.723	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](I)C1	158594911	KDSPYCAYQSNGNO-RNFRBKRXSA-N	313.135	1.402	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)c1ccc(-c2nn[nH]n2)o1	1593160962	BIMSAYLRIXUPGA-UHFFFAOYSA-N	306.232	1.495	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C1(CC(=O)O)CCC1	1594140906	PIYBPPPQRFGZSA-UHFFFAOYSA-N	306.318	1.101	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2ccc(C(=O)O)cn2)cc(O)n1	1591930635	SBZAWSSESHTOEJ-UHFFFAOYSA-N	316.317	1.761	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)CCC(=O)O)c1C	1594408916	UGAGHAUMYIDYSK-LLVKDONJSA-N	308.334	1.083	50	20	DDGD	
CC[C@@](C)(C=NNC(=O)c1cccc(-c2nn[nH]n2)c1)OC	1590379976	KQVDSFHEOVJVFG-AWEZNQCLSA-N	302.338	1.397	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NN=Cc1c[nH]c2ccc(C(=O)O)cc12	1776102474	QVUIBMRTSFOZGC-JSGCOSHPSA-N	315.329	1.741	50	20	DDGD	
COc1ccc(C)c(C=NNC(=O)c2cnsn2)c1C(=O)O	1776105082	NWZIKMGDTPKGFZ-UHFFFAOYSA-N	320.330	1.317	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2)[nH]n1	5818210	GMRDFEINIGMMGQ-UHFFFAOYSA-N	316.361	1.682	50	20	DDGD	
O=C(COc1ccc2c(c1)CCCC2)NNC(=O)[C@@H]1CCCO1	150958667	MRPDYTQPAOVDMR-HNNXBMFYSA-N	318.373	1.271	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccnc(OC3CCC3)c2)[nH]n1	153866054	WEZMUFNMNJBZIH-UHFFFAOYSA-N	315.333	1.119	50	20	DDGD	
CO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1cccc(N(C)C)c1	155675953	GEKUNQMGDMHCLJ-ZIAGYGMSSA-N	320.393	1.264	50	20	DDGD	
Cc1ccc(OCC(=O)NNc2ncnc3nc[nH]c23)c(C)c1	156327850	FHCOEXMSVSVWDG-UHFFFAOYSA-N	312.333	1.492	50	20	DDGD	
O=S(=O)(CCCCCl)NC[C@]1(O)CCc2ccccc21	154817429	WZTFVBNRQRXWTD-CQSZACIVSA-N	317.838	1.759	50	20	DDGD	
CCC[C@H](N)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	159850640	LYIWPWOXSUHORG-JTQLQIEISA-N	309.757	1.961	50	20	DDGD	
O=C(CCn1ccc2ccccc21)NNC(=O)c1ccccn1	7909627	AKFDPGFLAWWTGT-UHFFFAOYSA-N	308.341	1.888	50	20	DDGD	
CCc1ccccc1OCC(=O)NNc1nccc(OC)n1	55104257	IBTCDLPSMXIFKY-UHFFFAOYSA-N	302.334	1.570	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=S)N[C@@H](C)C2CC2)c1	171168174	DLEWPFKJJCLSSP-NSHDSACASA-N	307.419	1.668	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccccc2[N+](=O)[O-])n1	174484881	UUZFYQYOEGUNLS-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
CCCc1[nH]nc(C(=O)NNC(=O)CC(C)(C)C)c1[N+](=O)[O-]	109627445	DHDAIZGLZDGSDF-UHFFFAOYSA-N	311.342	1.468	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1n[nH]c2ccccc12	102185669	ZGBFULBRMIRCND-UHFFFAOYSA-N	321.300	1.765	50	20	DDGD	
COCCOCCCNC(=O)NNc1c(F)cccc1F	118576322	VJMCPAKQVWQIBQ-UHFFFAOYSA-N	303.309	1.644	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(-c2ccccc2)nn1)n1cncn1	176232048	AJJLIGLIVVCWSW-LLVKDONJSA-N	309.333	1.439	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCCC(=O)N(C)C)cc1	63839992	ODJVBQASAPLDGV-KAMYIIQDSA-N	315.373	1.587	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)[C@@H]1CSc2ccccc21	173960347	NQLQMNYCFQQUPL-SECBINFHSA-N	312.358	1.686	50	20	DDGD	
CCOc1ccc(SCC(=O)NNC(=O)NCC2CC2)cc1	65193319	XSUZKDNQHYMWJL-UHFFFAOYSA-N	323.418	1.918	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNc2cccnn2)cc1OC	179527357	NBAYSNPBNNQXJF-SOFGYWHQSA-N	300.318	1.650	50	20	DDGD	
C[C@@]1(c2ccccc2)CCCN(CC(=O)NNC(=O)C2CC2)C1	113264682	JTWRDKQWGOBPFQ-GOSISDBHSA-N	315.417	1.598	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@H]1C[C@H]2CC[C@H]1C2	302857825	QTPMVUHLXQLDDO-JUFZMCDQSA-N	316.357	1.410	50	20	DDGD	
COC(=O)NNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1C	171302114	OAMWKFLTRYVRCD-UHFFFAOYSA-N	306.297	1.629	50	20	DDGD	
COCC(=O)NNC(=O)[C@H](C)Oc1c(C)cc(Cl)cc1C	68193746	CDVUNGGFYTVASQ-JTQLQIEISA-N	314.769	1.518	50	20	DDGD	
CC[C@H](C(=O)NNc1cc(F)c(F)c(F)c1)N1CCCC1=O	175472987	AOESSDRHGBEIHE-LLVKDONJSA-N	315.295	1.948	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C#N)ccc1Cl	124749400	CBSLRUGHEIMEKQ-MRVPVSSYSA-N	322.752	1.344	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(F)ccc1Cl	124713274	WURPXDIJBVPUBC-SSDOTTSWSA-N	315.732	1.611	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1cc(-c2ccccc2)ns1	125114397	SOADHUNJQZQQIT-UHFFFAOYSA-N	306.347	1.345	50	20	DDGD	
COC(C)(C)C[C@H](C)NC(=O)NNc1nc2ccccn2n1	189302552	HNCKRVOEDQVGAY-JTQLQIEISA-N	306.370	1.559	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)C(C2CC2)C2CC2)c1	181134325	PRWQREXXSHUUKD-UHFFFAOYSA-N	308.403	1.969	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccc(Cn2ccnc2)cc1	122426114	OEVNGTFFMYIHDU-UHFFFAOYSA-N	312.308	1.617	50	20	DDGD	
C#CCNC(=O)NNC(=O)COc1ccccc1-c1ccccc1	79264646	NZLQCFJIQYVDKF-UHFFFAOYSA-N	323.352	1.696	50	20	DDGD	
O=C(NNc1c(F)cccc1F)N[C@H]1CC(=O)N(C2CC2)C1	79046652	SXMQLEXYWOJUQO-QMMMGPOBSA-N	310.304	1.354	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)Cn2nc(C)cc2C)ccn1	183436333	RLQVNTYDKMWIHW-UHFFFAOYSA-N	302.338	1.056	50	20	DDGD	
Cc1csc(NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)n1	125657008	FSTSVDOWHLHVOQ-UHFFFAOYSA-N	321.318	1.826	50	20	DDGD	
CN(NC(=O)CCc1ncc(-c2ccccc2Cl)o1)C(N)=O	181091261	LSZLNMNSZISSIN-UHFFFAOYSA-N	322.752	1.969	50	20	DDGD	
COc1cc(C(=O)NNc2nnc(-c3ccccn3)s2)on1	188190920	QIUHWVPHZXRFLD-UHFFFAOYSA-N	318.318	1.354	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)c2ccccc2O)cc1	186392583	RQVOSRPFSRKQLP-UHFFFAOYSA-N	314.345	1.925	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)NNc1ccc2ccccc2n1	181153611	CSRRTCFQWSGRGX-UHFFFAOYSA-N	321.402	1.749	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)c1	73689470	IMJQKOLLAATKNW-JTQLQIEISA-N	315.295	1.849	50	20	DDGD	
CCC[C@@H](C)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1	75591463	JXVMGJIDHUHAHS-SNVBAGLBSA-N	312.391	1.287	50	20	DDGD	
O=C(CSc1nnnn1C1CC1)NNc1cccc(Cl)c1	42065536	QDSRJOIDKNWPMI-UHFFFAOYSA-N	324.797	1.897	50	20	DDGD	
C[C@H](CCc1ccco1)NC(=O)NNC(=O)c1ccccc1O	43725661	MNBLKASVQGJIJM-LLVKDONJSA-N	317.345	1.951	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)C(C)(C)O)[nH]c(C)c1C(C)=O	190057306	RUCAQJPJVUHIRD-UHFFFAOYSA-N	309.366	1.010	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)no1	133604518	TYCJIWZGEKHBBC-UHFFFAOYSA-N	318.289	1.781	50	20	DDGD	
CC1CCN(CC(=O)NNC(=O)CCc2ccccc2O)CC1	133357353	ZZDOMZQPUSGMCC-UHFFFAOYSA-N	319.405	1.204	50	20	DDGD	
COCc1ccc(NC(=O)NNC(=O)Cc2ccncc2)cc1	192572593	XHRBWDBLWAYTDT-UHFFFAOYSA-N	314.345	1.623	50	20	DDGD	
C[C@@H](CO[C@@H]1CCOC1)NC(=O)NNc1c(F)cccc1F	267847677	DKPAOJBMWPLHRH-VHSXEESVSA-N	315.320	1.785	50	20	DDGD	
COc1ccc(OC)c(C(=O)NNC(=S)N[C@H](C)C2CC2)c1	267651777	WHKAXZABSCDXPK-SECBINFHSA-N	323.418	1.611	50	20	DDGD	
CC(C)OCC(=O)NNC(=S)Nc1ccc(N(C)C)cc1	264375825	MSIQBWMSPVLKDP-UHFFFAOYSA-N	310.423	1.495	50	20	DDGD	
Cc1ccc(C)c(OCCC(=O)NNC(=O)c2cccn2C)c1	263776263	GAVAPDKCDWCGFM-UHFFFAOYSA-N	315.373	1.872	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1ccnnc1C	269881489	NFLBGSLLMWEYKR-UHFFFAOYSA-N	314.345	1.187	50	20	DDGD	
C#CCN1CCC(C(=O)NNc2cc(Cl)nc(C)n2)CC1	267135043	WXEIPKYVXQQOOS-UHFFFAOYSA-N	307.785	1.227	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1cc(Cl)nc(C)n1	267233613	WLCMVMAZBBYGGH-UHFFFAOYSA-N	301.734	1.018	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCCOCC2CC2)c1	264526058	WOFBGYWAJBVFDB-UHFFFAOYSA-N	320.393	1.123	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1cnn(C[C@H]2CCCO2)c1	368314705	AZGXNEGCHOGUMW-GFCCVEGCSA-N	323.397	1.651	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H]2CCN3CCCC[C@H]23)nc1	275964803	MWZDUGUFCMSEFJ-QWHCGFSZSA-N	305.382	1.343	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1cc(Cl)ccc1C	274357344	MEVHNBDZCRMVBX-UHFFFAOYSA-N	305.787	1.503	50	20	DDGD	
O=C(NN=c1nc(-c2ccccc2)[nH]o1)[C@@H]1C[C@]12CCOC2	368106040	ABKMPNITYPWGML-NHYWBVRUSA-N	300.318	1.028	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)n1	272575364	QEBUWUIYEYOCPX-VXGBXAGGSA-N	308.382	1.920	50	20	DDGD	
CCC(C)(C)N[C@H](C)C(=O)NNC(=O)Cc1ccc(F)cc1	273232886	RULHNCLBJRRHQO-LLVKDONJSA-N	309.385	1.682	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cnc(Cl)c(F)c1	277649729	LXIPGECATPCFFE-ZCFIWIBFSA-N	309.750	1.230	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccnc1OC(C)C	274046275	HIVZDCKVPGIQMJ-JTQLQIEISA-N	322.365	1.001	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)[C@@H]1C[C@]12CCOC2	372806388	UVSTZTJPBSDKHK-LPHOPBHVSA-N	324.380	1.956	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)CC1(OC)CCC1	276957308	STXQDAQLGHRLGF-UHFFFAOYSA-N	320.389	1.734	50	20	DDGD	
CCc1occc1C(=O)NNC(=O)CCc1ccccc1O	281167399	CXEHNYACLLKBPU-UHFFFAOYSA-N	302.330	1.941	50	20	DDGD	
CSSCCNC(=O)NCc1cccc(N(C)C)n1	283794431	ACMVMGMHFVNBED-UHFFFAOYSA-N	300.453	1.958	50	20	DDGD	
CCN1C[C@H](C(=O)NNc2nccnc2C2CCC2)CC1=O	287203631	NDFSJYVCUDQPOX-LLVKDONJSA-N	303.366	1.056	50	20	DDGD	
O=C(NNc1ncccc1F)c1cc2c(nc1O)CCCC2	286057702	RWULZRBWOYVRRX-UHFFFAOYSA-N	302.309	1.957	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)CC(C)(C)O	281124277	GDXZFCQGIICNKK-VIFPVBQESA-N	314.769	1.416	50	20	DDGD	
CC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)Nc1ccccc1	283818922	YVRUELMTJNHFHF-ZDUSSCGKSA-N	306.366	1.390	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)NCC(F)(F)F)c1ccccc1	281410571	ZGDIGVBXJYIPFW-GFCCVEGCSA-N	319.283	1.441	50	20	DDGD	
C[C@H](CO[C@@H]1CCOC1)NC(=O)NNc1ncc(F)cc1F	298124302	ZMHIYEBKIPLUGP-PSASIEDQSA-N	316.308	1.180	50	20	DDGD	
Cc1nn(C)c2sc(C(=O)NNC(=O)[C@@H]3CCCCO3)cc12	295639448	TYECJMMSFVEPDE-JTQLQIEISA-N	322.390	1.273	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccccc2OC(F)F)O1	293892763	KSKWXKFACDGMQB-KWQFWETISA-N	314.288	1.617	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CC[C@@H](C)C[C@H]1C	299280164	MYQCVZQLBJODPJ-UKRRQHHQSA-N	317.433	1.805	50	20	DDGD	
COCC(C)(C)CNC(=O)NNc1cccc(C(=O)OC)c1	291788507	ONXDGNRZLTZEJN-UHFFFAOYSA-N	309.366	1.772	50	20	DDGD	
Cn1cc(CCC(=O)NNc2cc(C(F)(F)F)ccn2)cn1	295277238	HIMMKXATCHFPDX-UHFFFAOYSA-N	313.283	1.910	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@H]1CC(c2cccc(F)c2)=NO1	804765125	ICQHUVZAPYBTDX-GFCCVEGCSA-N	318.283	1.996	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)OCCO[C@H](C)C#N)cc(C#N)n1C	801821958	ZDZKZLXGOCKFAZ-MQOXYSQQSA-N	312.329	1.584	50	20	DDGD	
CC(=O)NCC[C@@H]1CCCN(S(=O)(=O)CCCCCl)C1	805136469	FXYISRLOIPBMHQ-ZDUSSCGKSA-N	324.874	1.573	50	20	DDGD	
C[C@H](Cc1cccc(F)c1)C(=O)NNC(=O)[C@@H]1CCCCO1	295322740	GRISHJAWHIYZIB-RISCZKNCSA-N	308.353	1.721	50	20	DDGD	
C#CCN(C)CCCNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	293949278	JWNVEPVUMWXFMB-MHWRWJLKSA-N	323.400	1.183	50	20	DDGD	
COc1ccc(F)c(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	292698305	KSEUJUJXZQEOSC-UFBFGSQYSA-N	311.313	1.555	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)O1	297074979	DQAFLPMKUJYHOB-VZLIPTOUSA-N	321.352	1.580	50	20	DDGD	
COCCOCc1ccc(C(=O)NNC(=O)CC2CC2)cc1	294173154	NUCYZOSSNSYPDM-UHFFFAOYSA-N	306.362	1.411	50	20	DDGD	
Cn1nnc2c(C(=O)NNc3ccc4ccccc4n3)ccnc21	801183477	NGTWKTSRYYKULW-UHFFFAOYSA-N	319.328	1.668	50	20	DDGD	
C[C@@H]1CN(CCC(=O)NNC(=O)CCCCCC#N)C[C@@H](C)O1	806339407	FHIUVCPIHFKHQE-ZIAGYGMSSA-N	324.425	1.107	50	20	DDGD	
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1nnc[nH]1	294041383	WHZSMZLRDFAFOU-VIFPVBQESA-N	312.374	1.187	50	20	DDGD	
CC(C)[C@H]1OCCC[C@H]1CNC(=O)NNc1ncncc1F	292633812	JUVVJBYMWFQEBZ-CMPLNLGQSA-N	311.361	1.693	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccc(C#N)cn2)cc1	802057677	LIDCGPWJSPWUAM-UHFFFAOYSA-N	311.301	1.428	50	20	DDGD	
Cc1nc(C(C)C)oc1C(=O)NNC(=O)Cc1ccncc1	292397108	IZDBXWUTSGFWIQ-UHFFFAOYSA-N	302.334	1.505	50	20	DDGD	
CC(C)[C@H](NC(=O)NNC(=O)C1CCCC1)c1nncn1C	805351366	GXWUJNLCIPZNIX-NSHDSACASA-N	308.386	1.033	50	20	DDGD	
COc1ccc(OCC(=O)NNc2ncncc2F)cc1C	817077453	LHWPWPXXXFUFOG-UHFFFAOYSA-N	306.297	1.455	50	20	DDGD	
Cc1nccc(CCC(=O)NNC(=O)c2c[nH]c3ccccc23)n1	814375293	HUTLEZLGRYQFLD-UHFFFAOYSA-N	323.356	1.660	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C1CCCC[C@H]1CCCO	814826842	JOSPWCJSNLPZDF-LBPRGKRZSA-N	321.377	1.444	50	20	DDGD	
O=C(CCN1C(=O)CCc2ccccc21)NNC(=O)CC1CC1	819140261	GEYFDYTUKWKYFA-UHFFFAOYSA-N	315.373	1.303	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cccc(CN2CCOCC2)c1	819123051	OIIPLPBWORFGAH-UHFFFAOYSA-N	317.389	1.080	50	20	DDGD	
O=C(COc1ccc(Br)cc1)NNc1nc[nH]n1	816633164	QPDMYSDGPJHFAJ-UHFFFAOYSA-N	312.127	1.089	50	20	DDGD	
Cn1nncc1NNC(=O)CSCc1ccc(Cl)cc1	816769632	PXKCYOQIEYISCZ-UHFFFAOYSA-N	311.798	1.845	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnc2cc(OC)ccn12	819162729	XOGXHALQAMJVKU-UHFFFAOYSA-N	305.338	1.087	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnc2c(F)ccc(F)c2c1	814718510	ZOFUZRRLOIAKPK-UHFFFAOYSA-N	322.340	1.808	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2c(Cl)cncc2Cl)n[nH]1	815886912	MTZODPSQVDKIAX-UHFFFAOYSA-N	314.132	1.495	50	20	DDGD	
CNC(=O)[C@H]1CCC[C@H]1NC(=O)NNc1cccc(Cl)n1	814316981	XWRLRLBSDDJESA-DTWKUNHWSA-N	311.773	1.276	50	20	DDGD	
COc1cccc(NCC(=O)NN=C2CCC(C(=O)O)CC2)c1	814763858	IVDITVPUSKCXIK-UHFFFAOYSA-N	319.361	1.854	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)CNc1cccc(OC)c1	812456182	RKHGVPFGVLTRPF-NEPJUHHUSA-N	323.393	1.173	50	20	DDGD	
COC(=O)[C@@H]1C[C@H]2CC(=NNC(=O)Cc3nc(C)cs3)[C@H]1C2	817323467	ZGCOEMOTYFIZRC-GARJFASQSA-N	321.402	1.685	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)C[C@@H](C)n1cccn1	819463452	QUOBCPTZVWPIQY-LLVKDONJSA-N	302.334	1.764	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=CCC1CCCCC1	814873706	NSDRKJHHVKVZSW-UHFFFAOYSA-N	302.378	1.884	50	20	DDGD	
COC(=O)[C@@H]1C[C@H]2CC(=NNC(=O)c3sc(N)nc3C)[C@H]1C2	817323232	UWZYNSWTQPIJKT-XHNCKOQMSA-N	322.390	1.339	50	20	DDGD	
Cn1c2c(ccc1=O)C(=NNC(=O)c1ccccc1F)CCC2	814701050	NDBWEEAIPIPHRK-UHFFFAOYSA-N	313.332	1.995	50	20	DDGD	
Cc1csc(S(=O)(=O)NNC(=O)NC2CCCC2)c1	829781694	GISWEXKHSSXIEN-UHFFFAOYSA-N	303.409	1.492	50	20	DDGD	
CSSCCNC(=O)N1CCC[C@@H](n2ccnn2)C1	823584282	DFHGLUNVUNEKFU-SNVBAGLBSA-N	301.441	1.636	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)Cn2ccc(C)n2)c(C)c1	824044714	VUPOBIUONDVNJW-UHFFFAOYSA-N	315.377	1.068	50	20	DDGD	
CCOC(=O)NNC(=O)C[C@H](c1ccccc1)c1ncc[nH]1	495696157	QPIPUQRUOYEPSX-GFCCVEGCSA-N	302.334	1.709	50	20	DDGD	
CN(CCCC(=O)NNc1ncnc2ccsc12)C(=O)O	828285061	JWLJSUVISCLDDX-UHFFFAOYSA-N	309.351	1.524	50	20	DDGD	
COC(=O)NCCNC(=O)NNc1ccc(C)cc1Cl	497211703	SLDXTJZAURBBRE-UHFFFAOYSA-N	300.746	1.631	50	20	DDGD	
CC1(C)C[C@](C)(NC(=O)/C(C#N)=C\c2ccc(O)cc2)C(=O)O1	491046955	HXTSXRRCHANANI-UEOUDEGLSA-N	314.341	1.900	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@H]1[C@H]1CCCOC1)C1CCCC1	826623294	BTTKXHMPALKMAO-KBPBESRZSA-N	309.410	1.808	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc2nc(O)n(C(C)C)c2c1	823799705	SRQJLTSEJXNIKV-UHFFFAOYSA-N	305.338	1.287	50	20	DDGD	
Cc1ccc(-c2nc(CC(=O)NN(C)[C@H](C)CO)cs2)o1	823977233	RGWVJSNKGUCJOX-SECBINFHSA-N	309.391	1.598	50	20	DDGD	
CC(C)(C)NCCC(=O)NNC(=O)c1nc2ccccc2s1	828985181	PWGCMTXIQJFSPF-UHFFFAOYSA-N	320.418	1.836	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1	823951911	NXFINGJUKNVDDW-DOMZBBRYSA-N	309.385	1.134	50	20	DDGD	
COC(=O)CCCN1CCC(=NNC(=O)c2ccccc2)CC1	727058681	REAKSHOLAUZRTD-UHFFFAOYSA-N	317.389	1.821	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)C1=CCCCO1	820170035	ZGYMDRJCWUINPN-UHFFFAOYSA-N	311.432	1.480	50	20	DDGD	
COc1ccccc1C1(CNCc2ccccc2B(O)O)CC1	585021284	RWESLOJOAAUXMT-UHFFFAOYSA-N	311.190	1.196	50	20	DDGD	
CC(C)COC(=O)[C@H](C)NC(=O)/C(C#N)=C\c1cnn(C)c1	491105397	QCGORKZIJGKIIZ-LEBPBNDJSA-N	304.350	1.031	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)c2cccn2C)cc1	729688957	KZDZPKRWZZLEBO-UHFFFAOYSA-N	317.418	1.723	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCc2cc(F)ccc2C1	827281674	JIKRUJAJMCGMPH-IINYFYTJSA-N	321.352	1.350	50	20	DDGD	
O=S(=O)(c1ccc(Cl)cc1Cl)N1CC[C@@H](B(O)O)C1	585055707	DBJQRUWZDFRIKK-SSDOTTSWSA-N	323.994	1.231	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)C(C)(C)Oc1cccc(Cl)c1	823959727	OJEFVSAWFUFGJK-JTQLQIEISA-N	300.786	1.841	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C/c1ccc(O[C@H](C)C(=O)O)cc1	490945112	ZXKXAJQXTOQSSW-VSXLWIIGSA-N	300.314	1.748	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@]2(C)CC(C)=NO2)cc1OC	901223222	AKUJUGWJYPDOPS-HNNXBMFYSA-N	321.333	1.020	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCCC[C@@H]1C	820933339	SOBDAQUGUUFCQY-AVGNSLFASA-N	312.410	1.938	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCCSCC(=O)O	909231005	AUNJYPNUSDFPCH-MRVPVSSYSA-N	312.229	1.730	50	20	DDGD	
O=C(C[C@@H]1NC(=O)c2ccccc21)NNC(=O)NC1CCCC1	900413502	URNVZKIPHNHKQN-ZDUSSCGKSA-N	316.361	1.134	50	20	DDGD	
CCN(CCO)NC(=O)C1(C)CCN(Cc2ccccc2)CC1	823874683	WYOVNKWDFHDMOY-UHFFFAOYSA-N	319.449	1.634	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)OCCNC(=O)C2CC2)cc1	908709471	AFDGHAZWWIHCLS-UVTDQMKNSA-N	314.341	1.672	50	20	DDGD	
C=C(CI)n1cc(CCCCCO)nn1	900641442	UGXHFQLGUONOIO-UHFFFAOYSA-N	321.162	1.889	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNC(=O)c1c(C)nc2ccccn12	491714294	MDGRDEWFTZAFKR-LBPRGKRZSA-N	313.361	1.389	50	20	DDGD	
CC[C@@H](NC(=O)c1ccc(B(O)O)cc1)[C@@H](C)c1ccccc1	584956732	HCHUYMUEQYUBDV-SUMWQHHRSA-N	311.190	1.679	50	20	DDGD	
COc1ccc2c(c1)C[C@@H](C)CC2=NNC(=O)c1cn(C)nn1	905487099	XCQXEBLDTLSNBY-SNVBAGLBSA-N	313.361	1.540	50	20	DDGD	
O=CN1CCC[C@H]1C(=O)NNc1ncc(Cl)cc1Cl	832394767	BOPOJGKLZXARPM-VIFPVBQESA-N	303.149	1.452	50	20	DDGD	
O=C(NCC[C@H]1COc2ccccc2O1)NNc1ccncn1	836365651	URWKWIMTFNSGIQ-NSHDSACASA-N	315.333	1.333	50	20	DDGD	
CCCc1csc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)n1	831616775	OTBMRNWTHZLLCO-WPRPVWTQSA-N	312.395	1.673	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccc2nc(C3CC3)oc2c1	495408110	PMXDAYDKADRIKA-UHFFFAOYSA-N	318.289	1.031	50	20	DDGD	
CCCN1C[C@H](C(=O)NNc2cccc(C(=O)OC)c2)CC1=O	839721172	KCLBEUREWJYWHB-GFCCVEGCSA-N	319.361	1.175	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccccn1)N1CCc2ccccc2C1	732257237	HGYHBEDAEORHEJ-CYBMUJFWSA-N	324.384	1.289	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCCCCC(=O)O)c1ccccc1	736847485	KXEZWWPNTSSWAR-CYBMUJFWSA-N	321.377	1.766	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)CC(F)(F)F)c1cccc(O)c1	732889301	MCOYWCQBMGGEHC-ZETCQYMHSA-N	305.256	1.736	50	20	DDGD	
CC(C)CN1C[C@H](C(=O)NNc2ncc(F)cc2F)CC1=O	837207509	SBUJWQLNSVXXNU-SECBINFHSA-N	312.320	1.307	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C(C)(C)N2CCCCC2)nc1	907144375	LYNJMDBUUXSUCQ-UHFFFAOYSA-N	320.393	1.576	50	20	DDGD	
Cn1nnc2cc(C(=O)NNc3cccc(C(=O)O)c3)ccc21	833759669	PMJAQKSAVPTDDT-UHFFFAOYSA-N	311.301	1.423	50	20	DDGD	
Nc1ccc2c(n1)CCCC2=NNC(=O)NCC(F)(F)F	834941816	KCIWPRMYBSUZSN-UHFFFAOYSA-N	301.272	1.566	50	20	DDGD	
COc1ccc(-c2nc(C)c(C(=O)NCB(O)O)s2)c(F)c1	585063311	XDXONIPIZLGPOF-UHFFFAOYSA-N	324.142	1.008	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCC[C@H](C2CCCCC2)C1	585009545	XJXGHJKFAVWVGN-INIZCTEOSA-N	315.222	1.799	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1C[C@@H](OC(C)C)C1	838750107	SOINBRBNYXSMQJ-BETUJISGSA-N	305.378	1.895	50	20	DDGD	
C[C@H](CBr)COC(=O)[C@@H]1CCCN1C(=O)C1CC1	830316248	KHWULGBUOFQSBB-KOLCDFICSA-N	318.211	1.962	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccccc1)Cc1occc1C	839662156	VWEJRLOOVUXVBT-UHFFFAOYSA-N	315.373	1.871	50	20	DDGD	
CO[C@]1(C)C[C@H](NCC(=O)NNC(=O)c2ccccc2)C1(C)C	831343709	LQZMHKOUPMSBDI-SUMWQHHRSA-N	319.405	1.241	50	20	DDGD	
O=C(N[C@@H]1CC[C@H](Cc2ccccc2)C1)c1cccc(B(O)O)c1	584979068	KDKCXTCGKLONNL-CRAIPNDOSA-N	323.201	1.508	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1)c1nccs1	732622136	MTVIMERZNHFZNX-UTUOFQBUSA-N	324.450	1.729	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCN2CCCC2=O)cc1F	837051074	ZKDCFBSERGIEHP-UHFFFAOYSA-N	323.324	1.068	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(S)n1)c1sccc1C	733744534	LCMGXSUYFIWTAM-UHFFFAOYSA-N	322.415	1.924	50	20	DDGD	
O=S(=O)(CCl)NC1(c2cccc(F)c2)CCOCC1	830745353	OLCCTQLTLQMEDG-UHFFFAOYSA-N	307.774	1.947	50	20	DDGD	
O=C(NNC(=O)c1ccc2ccccc2n1)NC1CCOCC1	918233292	NAGMCPLOVZLBOO-UHFFFAOYSA-N	314.345	1.358	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)C[C@H](c1ccccc1)c1ncc[nH]1	910156812	MMTRAFKAXSTUON-TZMCWYRMSA-N	302.378	1.276	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2CCCc3nc(N)ccc32)n1	834929393	NHFJCYFOMNSSQW-UHFFFAOYSA-N	312.377	1.334	50	20	DDGD	
O=C(NCCOC1CCCCC1)NNC(=O)[C@@H]1CCCCO1	837781819	XHRVQTVHFYFZMK-ZDUSSCGKSA-N	313.398	1.235	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@@H]1SCCc2ccccc21	749612376	RZHIQWIGLGBQNP-ZDUSSCGKSA-N	323.418	1.384	50	20	DDGD	
CC(C)NC(=O)NNC(=S)N[C@H]1CCOc2ccccc21	741489237	NKKQKXHVSZVJBN-NSHDSACASA-N	308.407	1.597	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1csc2c1CCCC2	745992324	ZOIHNNBTHGMAQD-UHFFFAOYSA-N	309.391	1.314	50	20	DDGD	
Cc1ccc(C=NNC(=O)C(=O)NN=Cc2ccc(C)cc2)cc1	916266301	OFVTWVHOBIPLLU-UHFFFAOYSA-N	322.368	1.904	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)NC2CCOCC2)cc1	743552546	VJORSVSZLWVMPF-UHFFFAOYSA-N	321.381	1.267	50	20	DDGD	
Cc1cccc2cc(C(=O)NNC(=O)CN(C)C)c(Cl)nc12	846632936	HFHNFKMIVZUKOX-UHFFFAOYSA-N	320.780	1.519	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1ccccc1N1CCOCC1	842552538	BZQMRYHYHQSTDG-HIFRSBDPSA-N	317.389	1.398	50	20	DDGD	
CCOc1ccc(OC(C)(C)C(=O)NN(C)C[C@@H](C)O)cc1	910174936	IQPMMVQWYWZNTR-GFCCVEGCSA-N	310.394	1.587	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)s1	843649813	XRDOAEYSYYOTBB-GHMZBOCLSA-N	324.402	1.592	50	20	DDGD	
CO[C@](C)(C1CC1)[C@H](C)NC(=O)NNC(=O)CC(F)(F)F	840416381	LKBGFNPTSJSHQX-CPCISQLKSA-N	311.304	1.473	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CS[C@H](C)C2)cc1	840415212	FIJFCMISRSJOIW-VXGBXAGGSA-N	323.418	1.598	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H](C[C@@H]1CCCO1)C(F)(F)F	845213833	SKBGJNYDVZTIQJ-DTWKUNHWSA-N	310.316	1.928	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N[C@@H]1CCCNC1)c1ccccc1	841941322	LKZJMDKANWOIKL-ZIAGYGMSSA-N	304.394	1.263	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)c1	913823740	PVXZCNBOABZHDP-KWCYVHTRSA-N	313.382	1.211	50	20	DDGD	
Cc1ccc(C=NNC(=O)c2nn(C)c(=O)c3ccccc23)o1	916316292	QVBMZELAQZOQMS-UHFFFAOYSA-N	310.313	1.599	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNC(=O)c1ncccn1	841350145	GHUULPYDZCWNFQ-ZJUUUORDSA-N	302.359	1.411	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(C(F)(F)F)s1	843657776	RVZLBBXGLUAYNJ-RQJHMYQMSA-N	322.308	1.953	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2CCN(C)C(=O)C2)cccc1[N+](=O)[O-]	748670681	MVWLEXPXUCPLSA-SNVBAGLBSA-N	306.322	1.215	50	20	DDGD	
CC[C@@H](N)CNC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	842008657	VTXTURSITLOKAF-CHWSQXEVSA-N	322.409	1.138	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccnc(Oc2ccccc2)c1	749219718	QQHROZHKNVMMOE-UHFFFAOYSA-N	300.318	1.790	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccncc1C(F)(F)F	843971039	OISMOWIRUCXZNQ-HTQZYQBOSA-N	317.267	1.286	50	20	DDGD	
CCn1ncnc1C=NNC(=O)CSc1ccccc1OC	848406464	DVVLIWSPHCPQOH-UHFFFAOYSA-N	319.390	1.549	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ncccn1)[C@@H]1C[C@H]2CC[C@H]1C2	842170787	CBTLTTAQGHQVLK-BJDJZHNGSA-N	303.366	1.245	50	20	DDGD	
COc1ccc2onc(CC(=O)NNC(=O)CC3CC3)c2c1	841437949	GKGKQWGBIZUIQI-UHFFFAOYSA-N	303.318	1.326	50	20	DDGD	
COC(=O)c1cnc(C(C)=NNC(=O)c2cc(C)[nH]n2)s1	841631240	WQJZDPJALUUCOP-UHFFFAOYSA-N	307.335	1.115	50	20	DDGD	
COCCOc1cccc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)c1	842555633	MHNLBJRUYZBNMH-IUODEOHRSA-N	306.362	1.587	50	20	DDGD	
N#C/C=C/COc1ccc(S(=O)(=O)N2CCOCC2)cc1	840071299	AUFZDDIASCYWGE-OWOJBTEDSA-N	308.359	1.166	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)N[C@H]1CCN2CCC[C@@H]2C1	745563731	VFEDEYXRCVABNH-CMPLNLGQSA-N	309.801	1.988	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCO[C@H]2C)cc(OC)c1O	842558740	YZFGTYOJNSIPGK-GXSJLCMTSA-N	308.334	1.285	50	20	DDGD	
CCOc1ccc(C(=O)NN=Cc2cc(C)n(C)n2)cc1OC	841613325	ZDXIKPBPLZIDQN-UHFFFAOYSA-N	316.361	1.900	50	20	DDGD	
O=C(CCc1cscn1)NNC(=O)Cc1ccc(F)cc1	921059123	RIVUFKYSUAFKBN-UHFFFAOYSA-N	307.350	1.605	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NN=c1sc2ccccc2n1C	920422875	GFIVVUCAYKISBH-SECBINFHSA-N	306.391	1.086	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@H](C)Cc2cnc[nH]2)c1	847287121	NLKPJOMLTYQJKN-GFCCVEGCSA-N	316.361	1.123	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cnc(N(C)C)cn2)n1	848371553	OOZYEERIPQITFH-UHFFFAOYSA-N	307.745	1.051	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCOC1)c1ccc(Br)cc1	921145901	PHEFOJCMQJSTOU-VIFPVBQESA-N	313.151	1.247	50	20	DDGD	
C[C@@H](CCCc1ccccc1)C(=O)NNC(=O)c1ncccn1	841350626	ORSPENDOWSZEIV-ZDUSSCGKSA-N	312.373	1.897	50	20	DDGD	
CC(C)(N)CNC(=O)NNc1cccc(Br)n1	841949611	DXAGNPUYQPPBKD-UHFFFAOYSA-N	302.176	1.208	50	20	DDGD	
C#C[C@@H](CC)NC(=O)NNC(=O)CSc1ccc(C)cc1	854067604	AYAWAYDLPRHPEV-LBPRGKRZSA-N	305.403	1.829	50	20	DDGD	
Cc1ccc2ncc(C=NNC(=O)c3ccnc(N(C)C)c3)n2c1	755709813	SLTMSXBNTUGLRF-UHFFFAOYSA-N	322.372	1.868	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NN=Cc1cnc2n1CCC2	853275804	XPQPMPOWRZQMSL-LLVKDONJSA-N	316.336	1.886	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2cn(C)nc2C)cc1	755505475	SHHDYBDREDAAPW-UHFFFAOYSA-N	302.334	1.266	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)c2cccc(C#N)c2)[C@H]1C	859193357	WTLWNBOZMUQMFA-DYNIEEOBSA-N	301.346	1.379	50	20	DDGD	
COCCCNC(=O)NNC(=S)N[C@H]1CCCC[C@@H]1C	920833527	WRHNWJXFCJMUDG-QWRGUYRKSA-N	302.444	1.280	50	20	DDGD	
CCS(=O)(=O)N[C@@H](C)C(=O)NNc1ccc(Cl)cc1C	928336958	FUDCXGJTUTUNHI-VIFPVBQESA-N	319.814	1.419	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]32)cc1	857115105	ANCHTRYCFAGZMU-KFWWJZLASA-N	317.389	1.833	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)C(F)F)C1	753669443	NAECSEDDRRWXKP-MRVPVSSYSA-N	321.324	1.046	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc3c(c2)OCO3)nc1	759722472	HWPNYCOZEZBMMZ-UHFFFAOYSA-N	315.285	1.354	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)C2(CC)COC2)cc1	755681289	HZWZIWDBFFPXGQ-UHFFFAOYSA-N	323.418	1.830	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)C(C)(C)C)c1cc(C)on1	853407940	FFRQOBDDFKMNTG-UHFFFAOYSA-N	308.382	1.766	50	20	DDGD	
CN1CC[C@H](C(=O)OC[C@@H](CBr)C2CC2)C1=O	859642035	NQQCUQDPICJJGT-ZJUUUORDSA-N	304.184	1.429	50	20	DDGD	
CCCNC(=O)NNC(=O)C1=Cc2cccc(OC)c2OC1	751372077	PTNIMFMQCHNMEV-UHFFFAOYSA-N	305.334	1.211	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC(C)(C)[C@H]1c1cccnc1	854040556	FDXJOZSWLSDKBG-CQSZACIVSA-N	318.421	1.658	50	20	DDGD	
O=C1NC2(CCN(C[C@@H](CBr)C3CC3)CC2)CO1	859245907	CWNPIPDEGZUMLB-LLVKDONJSA-N	317.227	1.982	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C1CN(C)C[C@@H]1C	752161304	VFYQGFGDBBJVRS-LBPRGKRZSA-N	305.378	1.518	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cn[nH]c1)[C@H](C)c1ccccc1	858266714	LRKWAPJHJYEFMN-QWRGUYRKSA-N	301.350	1.546	50	20	DDGD	
Cn1c(NNC(=O)C2CC(F)(F)C2)nc2ccccc2c1=O	753617276	KJYXCRVMLLJPEM-UHFFFAOYSA-N	308.288	1.422	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)C1CC1)c1cc2c(s1)CCCCC2	854250107	NYXPWYOLERAXDB-ZDUSSCGKSA-N	308.403	1.549	50	20	DDGD	
Cc1ccc(C(=O)NN=C2C(=O)Nc3c(F)cccc32)c(O)c1	753955485	NBZNGTTWDRSEAG-UHFFFAOYSA-N	313.288	1.926	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)C(C)(C)C)c1c(C)noc1C	754546838	XBNRNZHSFIWSIO-LLVKDONJSA-N	310.398	1.526	50	20	DDGD	
CC(C)=C(C)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1	750943700	GMVIQETWAJRXDF-UHFFFAOYSA-N	315.329	1.219	50	20	DDGD	
Cc1cccc(CO[C@H](C)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	869067875	JEUQYZRUTAPZMR-UMVBOHGHSA-N	320.389	1.473	50	20	DDGD	
Cc1cc(OCC(=O)NNc2ncnc3ccsc23)no1	766676583	QFVSTOXPQCUYIP-UHFFFAOYSA-N	305.319	1.510	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC[C@H](CC(N)=O)C1	866906258	FTULTVPWVYDTFW-SNVBAGLBSA-N	310.847	1.169	50	20	DDGD	
C=C[C@H](C)NC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	763529323	GZQWRJFAXIQNCQ-JTQLQIEISA-N	314.386	1.196	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)c2ccc(Cl)nc2)CCC1=O	763912957	WOAURDUIVOKXHK-DTWKUNHWSA-N	309.753	1.501	50	20	DDGD	
Cc1cc(CCC(=O)NNc2ccc(C(F)(F)F)nn2)no1	935077268	IYFXYFZCZVTZBN-UHFFFAOYSA-N	315.255	1.868	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=Cc1ccccc1OC(F)(F)F	863187799	GETHWLCGHQWCOJ-UHFFFAOYSA-N	324.280	1.080	50	20	DDGD	
C=C(CBr)CN1CCCC[C@H]1CS(N)(=O)=O	931230980	OKRVCIYGGATJJG-JTQLQIEISA-N	311.245	1.081	50	20	DDGD	
C[C@H]1c2ccc(Cl)n2CCN1C(=O)c1cccc(B(O)O)c1	863883051	QGFPJBDJXPAHSD-JTQLQIEISA-N	318.569	1.038	50	20	DDGD	
C[C@H](NNC(=O)[C@]1(C2CCCC2)CCNC1=O)C(F)(F)F	862323270	TVSZUZZJUGJKJY-UFBFGSQYSA-N	307.316	1.255	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1cnn(C2CCC2)c1	932378370	UDGAURNKJTZWMY-UHFFFAOYSA-N	316.336	1.751	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(/C=C(/C#N)C(=O)NCCOC)c1C	863176617	YFAMXFZLLVFXEN-WQLSENKSSA-N	319.361	1.478	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1CCc2n[nH]cc2C1	765632158	BVYHIMGSCNMMLZ-LBPRGKRZSA-N	313.361	1.220	50	20	DDGD	
COc1ccc([C@H](C)C(C)=NNC(=O)CS(C)(=O)=O)cc1	863189258	GBSNARIZPGAKTI-SNVBAGLBSA-N	312.391	1.335	50	20	DDGD	
CC(C)(C(=O)NNc1cccnn1)c1ccc([N+](=O)[O-])cc1	769118502	VGXSASPATAOKQT-UHFFFAOYSA-N	301.306	1.806	50	20	DDGD	
N#Cc1c(F)ccc(C=NNC(=O)N2CCOCC2)c1Cl	761801049	UKUSKZOGIJACFK-UHFFFAOYSA-N	310.716	1.726	50	20	DDGD	
C[C@H](NNC(=O)c1cnc(C(F)(F)F)nc1)C(F)(F)F	862319184	YJDBMZDCHFYGGV-BYPYZUCNSA-N	302.178	1.681	50	20	DDGD	
COc1cccc2cc(C(C)=NNC(=O)[C@H]3CCC(=O)N3)oc12	863145238	IDWAFFAHHSFFHX-LLVKDONJSA-N	315.329	1.560	50	20	DDGD	
CO[C@H](C)C(C)=NNC(=O)c1nn(-c2ccccc2)cc1O	763137241	FRLOFCGIGDMQPB-LLVKDONJSA-N	302.334	1.719	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=C2CCCOc3ccc(F)cc32)N1	863144675	CWJSBJDQIFQIMD-LBPRGKRZSA-N	305.309	1.097	50	20	DDGD	
N#C[C@H](CCc1ccccc1)C(=O)NNC(=O)[C@@H]1CCCCO1	1117821492	VZFWILSSRAHFFB-GJZGRUSLSA-N	315.373	1.475	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=C1CCS(=O)CC1	761802084	SZLWCGUKWHAWOE-UHFFFAOYSA-N	308.403	1.643	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNC(=O)CC(C)C)cc1C	763882751	SHFZMTGUMPQDPD-UHFFFAOYSA-N	305.378	1.689	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2cnccn2)cc1Cl	766259894	GPRSZPIZYWJESC-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
CON(C)C(=O)[C@H](C)NC(=O)NNc1c(F)cccc1Cl	875896555	OMHHVRCYKAKZLM-ZETCQYMHSA-N	318.736	1.514	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cnsc1	872381520	RXOYJFXUFLCWSK-LLVKDONJSA-N	322.390	1.510	50	20	DDGD	
CO[C@@]1(C)C[C@H]1NC(=O)NNC(=O)c1nc2ccccc2s1	873073683	BTJFESAVRYZLSY-YGRLFVJLSA-N	320.374	1.418	50	20	DDGD	
O=C(NNc1ccccn1)c1cc(N2CCOC2=O)ccc1F	777472573	OSDJPANUDIOTMX-UHFFFAOYSA-N	316.292	1.934	50	20	DDGD	
O=C(NNc1ncccn1)C(=O)Nc1cccc(-c2cnco2)c1	1116669945	POUSMRDKGIMKRJ-UHFFFAOYSA-N	324.300	1.213	50	20	DDGD	
C[C@@H](CNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)C(=O)O	776637171	ATIQWQALOSVMKK-PHGLEFOZSA-N	304.184	1.777	50	20	DDGD	
N#CSCCCNC(=O)C1CCN(C(=O)N2CCCC2)CC1	773587387	VERYWWSRHZTGIS-UHFFFAOYSA-N	324.450	1.635	50	20	DDGD	
O=C(NNC(=O)c1ccc(OC(F)F)cn1)c1ccccn1	771838221	HXJNPWOEWVMXOG-UHFFFAOYSA-N	308.244	1.153	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CCc1ccccc1	771876024	SZJXRLXQQYGPDL-ZDUSSCGKSA-N	320.389	1.744	50	20	DDGD	
CS[C@H](C)CCC(=O)NNC(=O)[C@H]1COc2ccccc2O1	773181535	HVPZZBIXLAPYKF-ZWNOBZJWSA-N	324.402	1.506	50	20	DDGD	
CCC(C)(C)NC(=S)NNC(=O)CNc1ccccc1OC	774140412	TVSMOHFOQCOGPG-UHFFFAOYSA-N	324.450	1.791	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1(c2cccc(C#N)c2)CC1	1118274339	DXEXYTFKOHIIJP-RISCZKNCSA-N	313.357	1.162	50	20	DDGD	
N[C@H]1CCC[C@@H](NC(=O)NNC(=O)c2ccccc2Cl)C1	1119379886	MZOWGGZACUVWDG-VHSXEESVSA-N	310.785	1.554	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)CNc1ccc(OC)cc1	770590835	IWWZARBAWHMLGW-UHFFFAOYSA-N	315.377	1.553	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)n1	875447392	PTIZCXAFHKRLDF-DOMZBBRYSA-N	306.366	1.354	50	20	DDGD	
COc1ncc(C(=O)NNc2ccnc(Br)c2)cn1	771549472	OMZSNDHXPREHSA-UHFFFAOYSA-N	324.138	1.400	50	20	DDGD	
O=C(O)[C@H]1CCN(C(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)C1	777366300	BLHGVFVNSMIRNN-AVWBDOJWSA-N	316.195	1.873	50	20	DDGD	
Cc1onc(CC(=O)NNc2nc(-c3ccccc3)no2)c1C#N	779512420	BCPFCELMHHOPEZ-UHFFFAOYSA-N	324.300	1.591	50	20	DDGD	
O=C(CCCC(=O)NNc1ccccn1)NNc1ccccn1	777471279	IAJIHOKJJLNTEP-UHFFFAOYSA-N	314.349	1.233	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1ccc(C)cc1O)C(F)F	881014630	QEDXPYXCKQFUQF-VIFPVBQESA-N	301.293	1.688	50	20	DDGD	
COC(=O)c1ccccc1CCNC(=O)NNC(=O)C(C)(C)C	1121869191	UJNAOIBFXLFXLT-UHFFFAOYSA-N	321.377	1.392	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1CNC(=O)NNC(=O)c1cccnn1	883673169	YDBMNRKJDGNHJL-VXGBXAGGSA-N	305.382	1.637	50	20	DDGD	
O=C(C[C@H]1CCCC(=O)N1)NNc1c(F)cc(F)cc1F	885153552	LFSRROGNMNIFNX-MRVPVSSYSA-N	301.268	1.606	50	20	DDGD	
CCOC1CC(CC(=O)NNC(=S)Nc2ccccn2)C1	789200212	UDOLNCUXCWOHNX-UHFFFAOYSA-N	308.407	1.604	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)nc1	781510249	KAPCZWMUSHWWPD-UHFFFAOYSA-N	304.262	1.461	50	20	DDGD	
COCCONC(=O)NNC(=O)Nc1ccc(C)cc1Cl	789346101	GIDOAGZCLUCLSY-UHFFFAOYSA-N	316.745	1.562	50	20	DDGD	
COCC(=O)NN[C@@H](C(=O)OC)c1ccccc1C(F)(F)F	782900581	MDVWVSIWNNMZAL-LLVKDONJSA-N	320.267	1.187	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC[C@H](Cc2nc(C)no2)C1	887637535	VKKRENIPBSSBOL-GMCKNXKJSA-N	304.350	1.603	50	20	DDGD	
C#CCOc1ccc(NC(=O)C(=O)NNc2ccccc2)cc1	784767415	QFEFHHBKNXEUEZ-UHFFFAOYSA-N	309.325	1.780	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)C(=O)Nc1cccc(F)c1	784788957	ASZSLUGRXGTOKE-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)NC[C@H]2C=CCC2)c1	883832507	CTYAOGWNDKXHLY-AWEZNQCLSA-N	317.389	1.979	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCCOC(F)(F)F	788843721	YRRSXKMFGGANIR-UHFFFAOYSA-N	323.246	1.235	50	20	DDGD	
CC(=NNC(=O)C(F)F)[C@@H]1CN(Cc2ccccc2)CCO1	782238362	RHIYCYODLXSKMZ-ZDUSSCGKSA-N	311.332	1.645	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)C(=O)Nc2cnn(CC#N)c2)c1	783369707	WGAKKKWJTQJSIE-UHFFFAOYSA-N	312.333	1.105	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)c1cnc2c(c1)nnn2C	788188635	BRIMQMIOOVPQTA-UHFFFAOYSA-N	316.296	1.268	50	20	DDGD	
COc1cccc(CC(C)=NNC(=O)Cc2cc(C)[nH]n2)n1	782900108	FOKPBNKLEADXGI-UHFFFAOYSA-N	301.350	1.399	50	20	DDGD	
Nc1ncc(C=NNC(=O)c2cc(-c3ccccc3)on2)cn1	781586049	FDEQPWBNWUDWRB-UHFFFAOYSA-N	308.301	1.478	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NC[C@H]1CCN1C(=O)OC(C)(C)C	899236813	SVFPRVRJIFFFNG-LMMOQWNQSA-N	309.366	1.556	50	20	DDGD	
Cc1cnc(O)n1-c1ccc(C(=O)NN=c2cc[nH]cc2)cc1	780757342	ONFMMIORQYKFDR-UHFFFAOYSA-N	309.329	1.460	50	20	DDGD	
CCC[C@H]1C[C@H](C(=O)NNc2ccnc(N(C)C)n2)CCO1	780539828	PQNNDXXCTMKWLS-NEPJUHHUSA-N	307.398	1.581	50	20	DDGD	
CC(C)C(=O)NNC(=O)CCCCCNC(=O)OC(C)(C)C	780172832	WABVJKROKABSMH-UHFFFAOYSA-N	315.414	1.875	50	20	DDGD	
COc1cccc(NNC(=O)c2ccccc2S(C)(=O)=O)n1	781024991	LJAJMFXRMPZWEQ-UHFFFAOYSA-N	321.358	1.251	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@@H]2CO[C@@H](C)C2)o1	784360718	PZEFXFGQCYJESM-RYUDHWBXSA-N	323.393	1.307	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)n1	786425230	ACDKKZUGQIVVLH-UHFFFAOYSA-N	310.239	1.462	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NN(C)c2ccccc2)n(C)n1	783434309	HVVRBOMQHVDWFG-UHFFFAOYSA-N	301.350	1.089	50	20	DDGD	
COC(=O)NNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1	891770014	FDWWYTUMIRSTFS-NXEZZACHSA-N	315.370	1.409	50	20	DDGD	
CC(C)c1nccn1CC(=O)NNc1ccnc(N(C)C)n1	896507743	AIJVWRBLELELOI-UHFFFAOYSA-N	303.370	1.006	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccc(C)c(C#N)c1	799319132	AWDLXZRIUDKASD-UHFFFAOYSA-N	323.352	1.879	50	20	DDGD	
C[C@@]1(CO)CCCN1S(=O)(=O)c1ccc(CCl)cc1	723000217	FLRVPMWVQWMIAR-ZDUSSCGKSA-N	303.811	1.961	50	20	DDGD	
COc1coc(C(=O)NNc2cc(C#N)cc(Cl)n2)cc1=O	798987319	PXNZKOWBMIQZPL-UHFFFAOYSA-N	320.692	1.325	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCC[C@H](c3ccnn3C)C2)CC1	790298056	HEXKPABLVIJHHQ-ZDUSSCGKSA-N	318.425	1.391	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)c1c[nH]c2ccccc12	792842147	FWYUHBOPZSLGNB-IINYFYTJSA-N	303.362	1.990	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=S)NC(C1CC1)C1CC1	795002753	NWLWUJJJDFQLBG-UHFFFAOYSA-N	305.407	1.193	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNc1nccc(N(CC)CC)n1	795178040	XQFHDDWNBRUTDN-YPMHNXCESA-N	309.414	1.827	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cccc2[nH]ncc12	798316057	IHTFPWAZAFWZME-UHFFFAOYSA-N	301.228	1.069	50	20	DDGD	
O=C(NNC(=O)c1cc(F)c(F)cc1Cl)c1ccnnc1	799768562	MSEKVDCZMIZIJQ-UHFFFAOYSA-N	312.663	1.483	50	20	DDGD	
CC(=NNC(=O)Cc1cccnc1)c1ccc2c(c1)OCC(=O)N2	794905185	RTYRZCPZWLJJAN-UHFFFAOYSA-N	324.340	1.495	50	20	DDGD	
COC(=O)CNC(=O)NN=C1C[C@H](C)c2c(C)ccc(O)c21	1319928455	OQMJTTFMDUKAHK-VIFPVBQESA-N	305.334	1.384	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cccc3ccncc23)ncn1	1326071597	NQBBLGAYUXTSFK-UHFFFAOYSA-N	322.328	1.415	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc(C2OCCO2)cc1	1333886662	WCFAESAGQVDQHI-UHFFFAOYSA-N	305.334	1.086	50	20	DDGD	
Cc1conc1NC(=O)NNC(=O)c1cc2c(s1)CCC2	1254737473	URMYZTYASPEKAH-UHFFFAOYSA-N	306.347	2.000	50	20	DDGD	
Cn1ccc(NNC(=O)c2ccc(N3CCCCCC3)nc2)n1	1256183712	FQYNTGMQJICTLO-UHFFFAOYSA-N	314.393	1.952	50	20	DDGD	
CO[C@H]1CCC[C@H]1C(=O)NNc1nc(-c2ccccc2)no1	1337126060	HXODGADHWCPTDP-NEPJUHHUSA-N	302.334	1.995	50	20	DDGD	
Cn1ccc(NNC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)n1	1339436897	AHBKPGTWOILDKE-LLVKDONJSA-N	307.398	1.148	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)NCCC(F)F	1348429159	SUDHCPKPNVXRPF-UHFFFAOYSA-N	305.256	1.190	50	20	DDGD	
C[C@H](CC1CCCCC1)C(=O)NNC(=O)N1CCN(C)CC1	1261092706	LZIQZLXTJLYZNJ-CYBMUJFWSA-N	310.442	1.581	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccccc1N1CCCC1=O	1342589043	GIKIOKZQNPHUEQ-UHFFFAOYSA-N	313.357	1.378	50	20	DDGD	
CC1=NO[C@@](C)(C(=O)NNC(=O)COc2ccc(C)c(C)c2)C1	1353287772	PZXLABZCJCNXKA-MRXNPFEDSA-N	319.361	1.385	50	20	DDGD	
O=C(O)[C@H](C(=O)NNc1ncc(Cl)cc1Cl)C1CC1	1605900628	DTLOSXADBWIZDE-QMMMGPOBSA-N	304.133	1.942	50	20	DDGD	
O=C(NNc1ccccc1)N[C@H]1CCOC2(CC(C(=O)O)C2)C1	1601561055	MJJSWKAXFILUNF-ULKWEWGCSA-N	319.361	1.725	50	20	DDGD	
CC1(C)CC[C@H]1NC(=O)NNc1cccc(-c2nn[nH]n2)c1	1603771847	FTDGZRADPBIBLX-LLVKDONJSA-N	301.354	1.681	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)c(F)c1)N[C@H]1CCn2ccnc21	1601555156	VLFBUQKQSGIKCA-NSHDSACASA-N	319.296	1.492	50	20	DDGD	
CCc1oc(/C=C(/C#N)C(=O)N[C@H](C)COC)cc1C(=O)O	1605889700	XXTPSHBYIKQHLZ-JRZFIGEHSA-N	306.318	1.598	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(C[C@H](C)C(=O)O)cc1	1605492665	BOQHTJQVOCRYOK-JTQLQIEISA-N	322.365	1.648	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccsc2C(=O)O)nc1	1600463172	OICCKHVVCSUNAH-UHFFFAOYSA-N	320.330	1.232	50	20	DDGD	
O=C(O)C(=O)NN=C1CCOc2cc(Br)ccc21	1601638341	TXUIAVUTUKXFEH-UHFFFAOYSA-N	313.107	1.137	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)c1c[nH]nc1[C@@H]1CCCO1	1602472995	OECODIGYNKRCBJ-LBPRGKRZSA-N	316.317	1.716	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1C[C@H]1F)C2	1800073553	SASPEZAWDJYUGY-LIBFEPKXSA-N	316.804	2.000	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cc(OC)c(O)c(OC)c1	3225110	MOOSHXXMEBUQFW-IZZDOVSWSA-N	306.318	1.079	50	20	DDGD	
CC[C@@H](NC)C(=O)NNC(=S)Nc1cccc(Cl)c1	1577172353	VTMFYPJAVJSFGO-SNVBAGLBSA-N	300.815	1.656	50	20	DDGD	
Cc1cccc(C)c1OCC(=O)NNc1ncccc1C(=O)O	1574394933	JVKJWHLJGZMSHT-UHFFFAOYSA-N	315.329	1.919	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C(C)(C)n2ccc(N)n2)c1	1579159302	WMUAWJKCCXJHGY-UHFFFAOYSA-N	307.329	1.491	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCO1	1589792431	BCTVUBBPMFLWPR-GWCFXTLKSA-N	316.365	1.515	50	20	DDGD	
Cn1ccc(C(=O)N2CC3(CCCN3C(=O)[C@H](F)Cl)C2)c1	1843363285	XIMPHCWRQQWKJP-NSHDSACASA-N	313.760	1.377	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1cncn1-c1ccccc1	1595262288	XDJDSOFDCGKUGU-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
Cc1cc(C(=O)N2CCCC23CN(C(=O)[C@@H](F)Cl)C3)on1	1842460492	FCEGXDKGXXBDJT-SNVBAGLBSA-N	315.732	1.334	50	20	DDGD	
C[C@]1(COC(=O)[C@H]2CC[C@@H](C(=O)O)O2)C[C@@H]1Br	1594036289	GCFQMTKRCPQNTI-MCHASIABSA-N	307.140	1.335	50	20	DDGD	
C[C@]1(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)O)C2)C[C@H]1Br	1593749798	SDBZSNALSZPQMT-FQPOAREZSA-N	316.195	1.873	50	20	DDGD	
C[C@@H](CC(=O)O)CC(=O)NNc1nc(-c2ccccc2)no1	1592391332	HYOAFRPVRWOCRF-SECBINFHSA-N	304.306	1.681	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1csc(-c2nn[nH]n2)c1	1593164188	WZLUYXCUBVPZOG-UHFFFAOYSA-N	322.741	1.129	50	20	DDGD	
C[C@H](NNC(=O)[C@]1(C(=O)O)C[C@@H]1c1ccccc1)C(F)(F)F	1593318835	KYHLQQORIOYHEX-PLMOITTCSA-N	316.279	1.817	50	20	DDGD	
COc1ccccc1NNC(=O)c1csc(-c2nn[nH]n2)c1	1591651717	KMKYUOFJFFCOJW-UHFFFAOYSA-N	316.346	1.694	50	20	DDGD	
CC[C@@H]1OCC[C@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1	1590861211	SUDTXOKWRZYDKA-NEPJUHHUSA-N	302.338	1.125	50	20	DDGD	
C[C@@H](Oc1ccc(C=NNC(=O)c2cc[nH]n2)cc1)C(=O)O	1776091743	FMJMDPRBCQKXKS-SECBINFHSA-N	302.290	1.026	50	20	DDGD	
O=C(O)c1cnc2c(c1)C(=NNC(=O)[C@H]1CCCS1)CCC2	1776082047	SREYRLNVBPXASM-CYBMUJFWSA-N	319.386	1.832	50	20	DDGD	
N#Cc1ccc(C(=O)O)c(C=NNC(=O)c2ccc(CO)o2)c1	1776097332	AEFAMEUPJBLGDY-UHFFFAOYSA-N	313.269	1.106	50	20	DDGD	
O=C(CC(F)(F)F)NN=Cc1ccn([C@H]2C[C@H](C(=O)O)C2)n1	1776036482	QFNAXSAFDRXNIN-XWEPSHTISA-N	318.255	1.321	50	20	DDGD	
CC(C)OCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Cl)C2	1792688154	PSEMRONFCQOLJV-NOHGZBONSA-N	320.792	1.584	50	20	DDGD	
O=C(NNc1ncccn1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2	162869091	NJBJEAVQSAOTQF-UTUOFQBUSA-N	303.366	1.450	50	20	DDGD	
C[C@H](C1CC1)N(C)CC(=O)NNC(=O)c1cccc(C#N)c1	164698799	NHNUQFMSHKCERI-LLVKDONJSA-N	300.362	1.050	50	20	DDGD	
CC(=O)NNC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C	201798940	PNEJGWUULYGEDE-CYBMUJFWSA-N	321.377	1.495	50	20	DDGD	
CC(C)(C)CCC(=O)NNc1nccc(N2CCOCC2)n1	155504726	BPCLBKNSXLYXGD-UHFFFAOYSA-N	307.398	1.583	50	20	DDGD	
C[C@@](O)(CNS(=O)(=O)CCCCCl)c1ccc(F)cc1	154865639	SJFPDPKJBGTNGI-CYBMUJFWSA-N	323.817	1.972	50	20	DDGD	
O=C1COc2cc(C(=O)NNc3cccc(F)c3)ccc2N1	154889651	XYKCIQBXKWRFTG-UHFFFAOYSA-N	301.277	1.914	50	20	DDGD	
CNC(=O)NNC(=O)c1cnc(SC)n1-c1ccc(F)cc1	56376106	YBJKBGNGMOJHTN-UHFFFAOYSA-N	323.353	1.307	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1Cl	103077868	OFJRQFUYLZLMHB-UHFFFAOYSA-N	309.753	1.032	50	20	DDGD	
C#CCNC(=O)NNC(=O)c1cc(F)ccc1Br	103246758	LWTJHHPCIBLVDY-UHFFFAOYSA-N	314.114	1.165	50	20	DDGD	
N#C/C(=C/c1cnn(CCCl)c1)C(=O)NC[C@@H]1CCCO1	103249921	BXELHCGMMDZLAI-TZQNSNDFSA-N	308.769	1.324	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)c1cccc2ncccc12)N(C)C	106921680	KNCVIQLCSFQHMS-OAHLLOKOSA-N	314.389	1.582	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCS[C@H](C)[C@@H]2C)cc1	118419112	ZKBIGYVOJHYIQM-QWHCGFSZSA-N	321.446	1.582	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F)[C@@H]1CCCO1	112868756	RIBJEDYDPJYGCN-MDZLAQPJSA-N	310.300	1.395	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CCNc1ccccc1[N+](=O)[O-]	10889833	FMGXBDXZTQEKQJ-UHFFFAOYSA-N	324.337	1.953	50	20	DDGD	
COc1cc(C)nc(NNC(=O)COc2ccccc2F)n1	174477604	BXQJGVDIDJWBLY-UHFFFAOYSA-N	306.297	1.455	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc3c(c2)CCC(=O)N3)n1	22235489	YEEAUIYHKGNLTH-UHFFFAOYSA-N	311.345	1.735	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(-c2ccccc2Cl)[nH]n1	65189911	CXFWEGOABMWVPH-UHFFFAOYSA-N	307.741	1.694	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1cccc(NC(=O)N(C)C)c1	172809322	DJWWDXAOHBTJIU-ACCUITESSA-N	316.361	1.840	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1C(=O)NNC(=O)NC1CCCC1	68282979	XETIHYMSQGWDGM-UHFFFAOYSA-N	307.398	1.604	50	20	DDGD	
O=C(C[C@@H]1COC(=O)C1)NNc1ccc(Br)cc1	178473300	NDTQHRYJJZCUHT-QMMMGPOBSA-N	313.151	1.845	50	20	DDGD	
Cc1cnn(CCC(=O)NNc2ccc(C(C)(C)C)nn2)c1	118525317	JUGNOZRETYKKEG-UHFFFAOYSA-N	302.382	1.812	50	20	DDGD	
CCCOCC(=O)NNC(=O)c1ccc(CN(CC)CC)o1	65124719	QGTBERPSHIBKDM-UHFFFAOYSA-N	311.382	1.309	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NC[C@H]1CCCOC1	170799469	XLTJUYVMRFHBOA-OAHLLOKOSA-N	319.405	1.766	50	20	DDGD	
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NNc1ccc(Cl)nn1	62527343	MKXNKRSXOYEMED-JGVFFNPUSA-N	314.777	1.059	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc(Cl)ccc1OC(F)F	176206515	BUOFXTABXIAIKL-UHFFFAOYSA-N	307.684	1.857	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1cc([N+](=O)[O-])cnc1O	120483457	NJJIYYCAQAPCFS-UHFFFAOYSA-N	306.253	1.900	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2csc([N+](=O)[O-])c2)cc1	61463292	VYLDSCYKVQKVSU-UHFFFAOYSA-N	316.298	1.603	50	20	DDGD	
O=C(CCc1ccc(O)cc1)NNC(=O)Cc1ccccc1F	183742947	LBMOHABLFMXITR-UHFFFAOYSA-N	316.332	1.854	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccc(C)c(C(N)=O)c2)o1	184805858	IVXFIVGOFVWTKQ-UHFFFAOYSA-N	316.317	1.462	50	20	DDGD	
Cc1ccc(F)c(NC(=O)NNC(=O)Cc2ccncc2)c1	182847512	JQXLICJDOBOVAC-UHFFFAOYSA-N	302.309	1.925	50	20	DDGD	
Cc1c(C(=O)NNc2ncc(F)cn2)c(O)nc2ccccc12	123287854	DZOOBBSPMUCVBR-UHFFFAOYSA-N	313.292	1.935	50	20	DDGD	
CCOC1CC(CC(=O)NNC(=O)CCc2ccccc2O)C1	189856698	JEDIFFZYAXBUML-UHFFFAOYSA-N	320.389	1.677	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NNc2ccncc2)C1	180477771	ONHTXURVPGDURD-GFCCVEGCSA-N	304.394	1.809	50	20	DDGD	
COCc1cccc(NC(=O)NNC(=O)c2cc(C)n[nH]2)c1	183621926	DVLSWTVFYXKEDR-UHFFFAOYSA-N	303.322	1.331	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNc1ccc(C(F)(F)F)cn1	189013530	PEYUPRCREVNUFR-UHFFFAOYSA-N	305.256	1.885	50	20	DDGD	
O=C(CCc1nc(-c2ccco2)no1)NNc1ccnc(F)c1	182432873	OFCNGRJCYIYHGD-UHFFFAOYSA-N	317.280	1.940	50	20	DDGD	
CN(NC(=O)Cc1csc(-c2cccc(F)c2)n1)C(N)=O	181069265	CQTRNGRSWLSQCL-UHFFFAOYSA-N	308.338	1.533	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1csc(Cl)c1	188959026	ROJMBRMXEQNEQZ-UHFFFAOYSA-N	309.869	1.873	50	20	DDGD	
C=CCOc1ccc(C(=O)NNc2cccnn2)cc1OC	77033234	FRRVDWVIUVQTJO-UHFFFAOYSA-N	300.318	1.807	50	20	DDGD	
Cc1ncc(/C=C/C(=O)NNC(=S)N[C@H](C)C2CC2)s1	83675548	YNQNSTUAZXIYPW-HQZHTGGTSA-N	310.448	1.759	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)Nc1ccccn1	48348809	UQELIJQRUSHSGR-UHFFFAOYSA-N	304.281	1.452	50	20	DDGD	
CSc1ccc(Cl)c(C(=O)NNC(=O)C(C)(C)O)c1	192930979	BXPVMWQXMATCMI-UHFFFAOYSA-N	302.783	1.594	50	20	DDGD	
COC(=O)NNC(=O)c1nn(-c2c(F)cccc2F)cc1C	190451959	UALGSWFIPXDVDD-UHFFFAOYSA-N	310.260	1.460	50	20	DDGD	
CC1CCN(CCCCNC(=O)NNc2ncccn2)CC1	46737208	SJNQEGZYTKRWCY-UHFFFAOYSA-N	306.414	1.615	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C(=O)Nc1cc(F)ccc1F	190310585	LBKKRTITJABKPM-UHFFFAOYSA-N	310.235	1.581	50	20	DDGD	
CC(C)NC(=O)CCCC(=O)NNc1cc(C#N)cc(Cl)n1	93544424	HPBFVMIKUVNAHO-UHFFFAOYSA-N	323.784	1.745	50	20	DDGD	
Cc1nn(C)cc1C(=O)NN=c1sc2ccccc2n1C	255359668	GQBGNWYEMKIVRI-UHFFFAOYSA-N	301.375	1.527	50	20	DDGD	
CC(C)(C)CCC(=O)NNC(=O)CNC(=O)c1cccs1	265539939	JENVORITFMUFMY-UHFFFAOYSA-N	311.407	1.452	50	20	DDGD	
CCc1ccc([C@H](COC)NC(=O)NNC(=O)CC(C)C)o1	266450069	BQKLTXFGSAZTGM-LBPRGKRZSA-N	311.382	1.906	50	20	DDGD	
Cn1ccnc(NNC(=O)Cc2ccc(C(C)(C)C)cc2)c1=O	268959371	BINGWSFKUUCTEO-UHFFFAOYSA-N	314.389	1.764	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNC(=O)C2CC2)cc1OC	268181135	WNCCTCHOGZEVHN-UHFFFAOYSA-N	306.362	1.539	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)c2ccccc2F)CCOCC1	266725486	KJHZSGJUDMZVBT-UHFFFAOYSA-N	323.368	1.977	50	20	DDGD	
O=C(NNC(=O)C1(c2cccc(F)c2)CCOCC1)C1CCC1	264696712	IQXTULZQSCDPCV-UHFFFAOYSA-N	320.364	1.821	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)[C@H]1C[C@@]12CCOC2	364108020	IYHSZDIJPJTYSN-RHSMWYFYSA-N	302.374	1.583	50	20	DDGD	
CCc1n[nH]c(=O)c(C(=O)NNc2ccc(Cl)nc2)c1CC	269553943	VBLRSKMWZLXCNZ-UHFFFAOYSA-N	321.768	1.700	50	20	DDGD	
C[C@@H]1CC(=O)NCCN1C(=O)/C(C#N)=C\c1ccc(F)cc1	369962015	MRICPVQHJIZZMI-NASPGAHYSA-N	301.321	1.470	50	20	DDGD	
CC(C)(NC(=O)C(F)(F)F)C(=O)NNc1ncccc1Cl	277407997	ZBZCCTPFVVMNQT-UHFFFAOYSA-N	324.690	1.635	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc(N2CCNC2=O)c1	273312248	IJDDNDPRVKCWLE-JTQLQIEISA-N	319.365	1.415	50	20	DDGD	
C=C(C)[C@@H](CC(=O)NNC(=O)CNc1ccccc1)OCC	270404835	HOQVPHITTZDKPQ-CQSZACIVSA-N	305.378	1.617	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC(C)(C)CN2CCCC2)o1	276594585	ALUKEBGNWQFSQH-UHFFFAOYSA-N	322.409	1.654	50	20	DDGD	
CCCCN1C(=O)CC[C@H](C(=O)NN)[C@H]1c1ccc(OC)cc1	270228053	NZLPEEKSWNNTDA-GOEBONIOSA-N	319.405	1.765	50	20	DDGD	
CC(C)n1nccc1NC(=O)C(=O)NN(C)c1ccccc1	275629145	BSFNSFYTCCGRFI-UHFFFAOYSA-N	301.350	1.570	50	20	DDGD	
CSSCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	284095721	AWPYUMJAFQRMOA-UHFFFAOYSA-N	308.406	1.884	50	20	DDGD	
COCCOc1cncc(C(=O)NNc2nc(C)cc(C)n2)c1	282372922	CLTLDQIJQYCEFF-UHFFFAOYSA-N	317.349	1.271	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1conc1C1CC1	280885764	ZTDIRHIHWLWWMX-UHFFFAOYSA-N	303.293	1.695	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H](CC)Oc1cccc(C)c1	281259441	OVNQDBMDLVJHBC-CYBMUJFWSA-N	307.419	1.834	50	20	DDGD	
COC(=O)NNC(=O)c1cc(Br)c(C)cc1OC	289023328	IMWKEXDOKCTKOJ-UHFFFAOYSA-N	317.139	1.767	50	20	DDGD	
Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)NNc1cccc(F)n1	286732846	FHUOKFNRYNZPBX-CABZTGNLSA-N	320.328	1.111	50	20	DDGD	
O=C(NNC(=O)[C@@]1(O)CCSC1)Nc1ccc(Cl)cc1	283679733	HIDWXGUYJTXPGH-GFCCVEGCSA-N	315.782	1.361	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1cnn2cccnc12	805461693	KNAFYVKTFAZQEE-UHFFFAOYSA-N	309.333	1.544	50	20	DDGD	
O=C(C[C@H]1OC(=O)c2ccccc21)NNc1cccc(F)n1	804772086	ACWBSDTZCCARLQ-LLVKDONJSA-N	301.277	1.966	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1cnc2[nH]cnc2c1	805464750	FKQAVPRFAOEVLZ-UHFFFAOYSA-N	309.333	1.772	50	20	DDGD	
COCc1ncsc1C(=O)NNc1nccnc1C(C)C	803226368	UTHWJWIRLCKMPJ-UHFFFAOYSA-N	307.379	1.960	50	20	DDGD	
Cc1cc(F)cc(NC(=O)C(=O)NNc2ncccc2F)c1	807302791	PHAJBKXXFUVRAG-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
COCCOc1cc(C(=O)NNc2ncccc2F)ccn1	804215862	IXBPYONTTZOFFO-UHFFFAOYSA-N	306.297	1.398	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NCC(C)(C)CCC#N)n1	807591492	LBMTURSUBNPDIZ-UHFFFAOYSA-N	320.397	1.160	50	20	DDGD	
O=C(NCC(Cl)Cl)c1ccnc(NC(=O)C2CC2)c1	297248461	ZZGBLOKGJSKHRF-UHFFFAOYSA-N	302.161	1.964	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)CCSCc2ccccn2)O1	293970936	RXMDHDPSBXWMDM-AAEUAGOBSA-N	323.418	1.420	50	20	DDGD	
C[C@@H](Oc1ccc(C=O)cc1)C(=O)NNc1ncc(F)cn1	802914434	YGKTZIZGTGSWAM-SECBINFHSA-N	304.281	1.339	50	20	DDGD	
COC(=O)NNC(=O)Nc1cccc(CN2CCCCC2=O)c1	299635794	PEJDBSRESZOCCT-UHFFFAOYSA-N	320.349	1.592	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CCCN2C2CC2)cc1	802057686	YWAWTIBHMQQEAG-AWEZNQCLSA-N	318.377	1.475	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1COc2c(Cl)cccc21	814864531	FQPKNKCSKWNYSB-VIFPVBQESA-N	312.753	1.604	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ccccc1S(C)(=O)=O)[C@@H](C)N	817935598	JIUKYPMOCRRZSO-ZWNOBZJWSA-N	313.423	1.153	50	20	DDGD	
Cn1ccnc(NNC(=O)Cc2cccc(Cl)c2F)c1=O	810468585	BQKLXZQWEUWDEF-UHFFFAOYSA-N	310.716	1.259	50	20	DDGD	
Cn1cc(C=NNC(=O)c2cc(-c3ccccc3)[nH]n2)c(O)n1	814213408	AHBNIRMESLMNNY-UHFFFAOYSA-N	310.317	1.280	50	20	DDGD	
Cc1nc(CCC(=O)NNc2nc[nH]n2)oc1-c1ccccc1	816633630	ICDRYBUSYWGDGV-UHFFFAOYSA-N	312.333	1.844	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2nccnc2C2CCC2)c[nH]1	816663835	KIHYPCXXMVXQKF-UHFFFAOYSA-N	315.333	1.616	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cnnc(-c2ccccc2)c1	810364410	WKOHGNFNBHTOQA-UHFFFAOYSA-N	322.328	1.250	50	20	DDGD	
CCOCC(=O)NNC(=O)C(=O)Nc1cccc(C2CCC2)c1	812980672	VMRJHZSDPWNKAX-UHFFFAOYSA-N	319.361	1.077	50	20	DDGD	
O=C(NN=C1CCC(C(=O)O)CC1)c1ccc2c(c1)OCCO2	814788848	NBPYRWHEVWQJIX-UHFFFAOYSA-N	318.329	1.818	50	20	DDGD	
CN(NC(=O)CN1C(=O)C(F)(F)Oc2ccccc21)C1CC1	819652957	DTAAYZIMHYOGMZ-UHFFFAOYSA-N	311.288	1.130	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)COc2ccccc2O)s1	814951401	ATWMUUZLVNYLLK-UHFFFAOYSA-N	320.374	1.444	50	20	DDGD	
CN(C)c1cc(NC(=O)NNc2ccc(Cl)nn2)ncn1	810223432	KOONQWRUIKSJNI-UHFFFAOYSA-N	308.733	1.135	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)COc2ccccc2O)CC[C@H]1C(=O)O	814953979	XVSXOQKXIURIIL-ZYHUDNBSSA-N	320.345	1.764	50	20	DDGD	
CO[C@H](C)[C@@H](C)NC(=O)NNC(=O)Cc1ccc(Cl)cc1	811959424	OCHMAEDNXRWNLE-NXEZZACHSA-N	313.785	1.636	50	20	DDGD	
CC(C)(CCC(=O)NNC(=O)c1ccc2c(c1)OCO2)[N+](=O)[O-]	822188602	HXPMXIXZBIJWQV-UHFFFAOYSA-N	323.305	1.012	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)C1SCCS1	826448207	LXECKXNCXAZFCJ-UHFFFAOYSA-N	308.392	1.116	50	20	DDGD	
Cc1cc(C)c(NNC(=O)c2ccc(-c3nn[nH]n3)cn2)c(C)c1	822194170	LPIQBEBKVJUWJF-UHFFFAOYSA-N	323.360	1.944	50	20	DDGD	
Cc1nc(C)c(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)s1	826079967	QZBHXWSRRLACDQ-WCBMZHEXSA-N	312.395	1.015	50	20	DDGD	
CC1=C(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)CCC1	824851632	BDMPASOLDRUDME-UHFFFAOYSA-N	319.756	1.859	50	20	DDGD	
O=C(C[C@@H](n1cccn1)C(F)(F)F)NNC(=O)NCC1CC1	823804322	MVIFHISJOFKVBU-SECBINFHSA-N	319.287	1.117	50	20	DDGD	
N#CC1=CCN(C(=O)c2ncc(-c3nn[nH]n3)cc2Cl)CC1	826380970	SHMQSYHCRDZKMU-UHFFFAOYSA-N	315.724	1.211	50	20	DDGD	
O=C(/C=C/[C@H]1CCOC1)NNc1ccnc(Br)c1	493752582	JTMADZVZIPKMJT-VWCDRPFISA-N	312.167	1.880	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)OC[C@@H]2CN(C)C(=O)O2)c1	495729989	NFURTXYNTWVIQK-CYIWUNGXSA-N	316.313	1.596	50	20	DDGD	
CO[C@@H](C)CCNC(=O)NNC(=O)c1c(C)nc2ccccn12	726713612	JSRLPEWZJGIMOE-JTQLQIEISA-N	319.365	1.012	50	20	DDGD	
COC(=O)NN=Cc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O	490559658	NEGHIYIQJVUAPT-UHFFFAOYSA-N	323.312	1.651	50	20	DDGD	
CCOc1cc(NCc2ccc(B(O)O)cc2F)ccc1OC	585012329	UJUJWYYKBLMFTO-UHFFFAOYSA-N	319.141	1.525	50	20	DDGD	
CC(C)(C)CC(=O)NN=C1C(=O)Nc2cc3c(cc21)OCCO3	728431221	OQHCBHDLJLYKSC-UHFFFAOYSA-N	317.345	1.666	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNC(=O)COc1ccccc1C#N	820629820	HFSRWWNCZYYPSJ-ZDUSSCGKSA-N	314.345	1.069	50	20	DDGD	
CCSc1cc(CNCc2cccc(B(O)O)c2)ccn1	585036153	ATNANDYVBNEVGK-UHFFFAOYSA-N	302.208	1.163	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C	490872390	BMRDNEFYHMWPOR-RAXLEYEMSA-N	322.328	1.830	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC(C)(c2ccccc2)CC1	828480241	NGKRHYLWBISXNP-UHFFFAOYSA-N	317.433	1.844	50	20	DDGD	
CCCN(CCc1cccs1)CC(=O)NNC(=O)C(C)C	828896990	RGBPBGUCRMVPSN-UHFFFAOYSA-N	311.451	1.806	50	20	DDGD	
CC(C)(CCNC(=O)c1cccc(B(O)O)c1)C(F)(F)F	584986097	AYHIICWVEWQISM-UHFFFAOYSA-N	303.089	1.075	50	20	DDGD	
CC(C[C@H](C)NC(=O)OC(C)(C)C)=NNC(=O)c1ncccn1	496844294	DPIVYVBBRCQKHC-JTQLQIEISA-N	321.381	1.886	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C	491142696	VRNGVHFWKHGSID-ZDUSSCGKSA-N	305.334	1.739	50	20	DDGD	
C[C@]1(C(=O)NCc2ncc3c(n2)CCC3)C[C@@H]1Br	909682729	XWYGQCOVQULSAX-GWCFXTLKSA-N	310.195	1.755	50	20	DDGD	
O=C(/C=C/c1cccc(Br)c1)N1CC[C@@H](B(O)O)C1	585070912	IEZFIKFFHCONLY-SGUJLRQBSA-N	323.983	1.538	50	20	DDGD	
CC(=O)N[C@H](C(=O)NN(C)C(=O)OC(C)(C)C)C(C)(C)C	496296665	SNQWVFYJEYFZJA-SNVBAGLBSA-N	301.387	1.435	50	20	DDGD	
C[C@H]1CCCCN1CCCCNCc1cccc(B(O)O)c1	585016197	TXPBWQSQKNEESY-HNNXBMFYSA-N	304.243	1.111	50	20	DDGD	
O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(B(O)O)ccc1F	584927175	NKIYQBZEPTUKOA-UHFFFAOYSA-N	317.169	1.204	50	20	DDGD	
C[C@]1(C(=O)NC[C@H]2COC3(CCCC3)O2)C[C@@H]1Br	907214198	OYOXRPYRFMLMJN-NHCYSSNCSA-N	318.211	1.962	50	20	DDGD	
COC[C@H](C)NC(=O)NNC(=O)c1cccc2ncccc12	730111283	MWTNAIAXBHCIFO-JTQLQIEISA-N	302.334	1.214	50	20	DDGD	
Cn1nc(C(=O)NNC(=S)NC(C)(C)C)c2ccccc21	900000959	AHTHRVCCLJVEJJ-UHFFFAOYSA-N	305.407	1.481	50	20	DDGD	
C#CCOc1ccc(C(C)=NNC(=O)Cc2cc(C)[nH]n2)cc1	733203495	MRHLLFYBRASCFO-UHFFFAOYSA-N	310.357	1.813	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@H](NC(=O)O)C(C)C)o1	736522188	BLRNWOTXYRGTCD-SECBINFHSA-N	309.326	1.405	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNc2ncnc3ccsc23)C1	838749289	JDTLQMIXGQAUPI-DTORHVGOSA-N	307.379	1.885	50	20	DDGD	
COc1ccc(C(=O)NN=C2C[C@@H](C)n3ccnc32)c(OC)c1	834954908	DUNLJNBNQHTAEB-SNVBAGLBSA-N	314.345	1.999	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1	838495500	MPHOUIUFZQUNMK-FQUUOJAGSA-N	309.410	1.855	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2ncc(F)cc2F)c2nccn21	838689767	VGZQDMNIVSXPGZ-XVKPBYJWSA-N	308.292	1.888	50	20	DDGD	
O=C(O)CCCNC(=S)NNC(=O)CCC1CCCCC1	739682608	ZRISBGQUMHKALL-UHFFFAOYSA-N	315.439	1.707	50	20	DDGD	
Cc1ccc(CN(C(=O)c2cccc(B(O)O)c2)C2CC2)cc1	584928730	VPUDLUYIPJXTNQ-UHFFFAOYSA-N	309.174	1.480	50	20	DDGD	
CCC1CCC(N(C)C(=O)c2ccc(B(O)O)c(F)c2)CC1	584928115	NQEASYUYLUZFBX-UHFFFAOYSA-N	307.174	1.546	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)Nc1ccc(OC)cc1	836358048	ORUGTLWWEVKITQ-UHFFFAOYSA-N	304.350	1.834	50	20	DDGD	
Cc1ccc(N2CCC[C@@H](NS(=O)(=O)CCl)C2=O)cc1	830707133	BMLCAUSXDVYGLB-GFCCVEGCSA-N	316.810	1.606	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@H](C)CCN(C)C)cc1	836349617	UCLZJRPPJBAOOV-LLVKDONJSA-N	323.397	1.371	50	20	DDGD	
COc1cc(NNC(=O)[C@@H](CC(C)C)C(N)=O)ccc1Cl	839745661	BCUYHIOULSHHHM-JTQLQIEISA-N	313.785	1.939	50	20	DDGD	
NC(=O)C(=O)NN=Cc1c(OC(F)F)ccc2ccccc12	916272414	RXXJGKVVRFZUBV-UHFFFAOYSA-N	307.256	1.377	50	20	DDGD	
O=C(NN=C1CCOC[C@H]1CN1CCCCC1)[C@@H]1CCCCO1	834986875	RSMBWZVNVBMGRR-ZBFHGGJFSA-N	323.437	1.550	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1cc(-n2cccn2)ccn1	736667835	VRLLXGZDVLWWFV-UHFFFAOYSA-N	323.312	1.048	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)[C@H]2CCCCO2)cc1F	836221347	ABHSDFFDKYNJMW-CYBMUJFWSA-N	309.341	1.534	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCCN(C)C2CC2)c(F)c1	838467480	CGBABRXRPUEBJZ-UHFFFAOYSA-N	324.356	1.333	50	20	DDGD	
COC1(CCNC(=O)NNC(=O)c2cccc(C#N)c2)CCC1	836276560	LAAQXOOFMKSHOG-UHFFFAOYSA-N	316.361	1.461	50	20	DDGD	
C[C@@H]1NC(=O)[C@H](C)N(C(=O)[C@@H](Br)C(C)(C)C)[C@H]1C	911793951	GKZVAMRZCSVRGM-AATLWQCWSA-N	319.243	1.920	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)N[C@H]1CCCNCC1	841979980	ZQZKPQFCMHPHBR-ZDUSSCGKSA-N	324.812	1.355	50	20	DDGD	
CNCc1ccc(NC(=O)C(=O)NCCSSC)cc1	841125603	REGDCEYIZLGETJ-UHFFFAOYSA-N	313.448	1.472	50	20	DDGD	
Cc1cccc(-n2ncc(C(=O)NNC(=O)N(C)C)c2C)c1	746006008	IZTBQFQGCJYFGW-UHFFFAOYSA-N	301.350	1.405	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cccc1[N+](=O)[O-]	843658602	FIEMCFXPXWWNIL-PWSUYJOCSA-N	321.333	1.018	50	20	DDGD	
NC(=O)c1ccc(OCC(=O)NNc2ccc(Cl)nc2)cc1	743818453	YMBBMMNDJTVADC-UHFFFAOYSA-N	320.736	1.356	50	20	DDGD	
O=C(NCCNC(=O)C1CC1)NNc1c(F)cc(F)cc1F	913898604	MJLORLCBUIDXDM-UHFFFAOYSA-N	316.283	1.256	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2	915185831	WEMHOPNGHNCGEJ-UHFFFAOYSA-N	316.382	1.977	50	20	DDGD	
Cc1nc[nH]c1CC(=O)NNc1ncnc(Cl)c1C(C)C	840545409	HGJLZXHZKNAPSE-UHFFFAOYSA-N	308.773	1.971	50	20	DDGD	
COCC1(CC(=O)NNC(=O)c2cc3c(s2)CCC3)CC1	843753915	YXYZQPLLGXITHH-UHFFFAOYSA-N	308.403	1.815	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)Cc1ccc(Br)cc1F	910141622	VXZUWJMTLCROBD-MRVPVSSYSA-N	319.174	1.475	50	20	DDGD	
C[C@@H](OCc1ccccc1)C(=O)NNC(=O)CC(F)(F)F	918366619	SSTHIPMVCLCYBC-SECBINFHSA-N	304.268	1.692	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(N(C)C)c2ccccc2n1	910149559	FZCYKVYYRXSRPR-LLVKDONJSA-N	302.378	1.258	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H]2CCC[C@@H](N)C2)cc1F	841981056	PMICAEOESMISKM-NXEZZACHSA-N	324.356	1.508	50	20	DDGD	
CN1CCC(N(C)c2ccccc2C=NNC(=O)N(C)C)CC1	745601959	KICQLHCICZOYKZ-UHFFFAOYSA-N	317.437	1.822	50	20	DDGD	
COc1ccccc1OCCNC(=O)NNC(=O)CC(C)C	915890177	YATHTKJPRAPMTN-UHFFFAOYSA-N	309.366	1.451	50	20	DDGD	
CN(C)[C@H](C(=O)NNC(=O)NCC1CC1)c1ccc(Cl)cc1	847390720	KSFVGNRYPWHIRI-ZDUSSCGKSA-N	324.812	1.683	50	20	DDGD	
Cn1cccc1C(=O)NN=Cc1ccc(C(=O)NC2CC2)cc1	912806202	ATLCSQVEKMQTME-UHFFFAOYSA-N	310.357	1.681	50	20	DDGD	
CC[C@H]1NCC[C@@H]1C(=O)NNc1ncc(Br)cn1	848436149	HVBBQRZLNCSUGN-DTWKUNHWSA-N	314.187	1.070	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc(F)c1Cl	843652741	KWJGLIHWUUYJGA-JGVFFNPUSA-N	300.717	1.665	50	20	DDGD	
O=C(C[C@@H]1CCOC1)NNC(=O)c1cc(-c2ccccc2)[nH]n1	740075495	JVGHKJYNMIMDSW-NSHDSACASA-N	314.345	1.264	50	20	DDGD	
C=CCOc1cccc(C=NNC(=O)[C@H](C)OCCOC)c1	748260541	VTMSHJWAEKEIQK-ZDUSSCGKSA-N	306.362	1.753	50	20	DDGD	
O=C(NCc1cccc([N+](=O)[O-])c1)NNC(=O)C1CCCC1	743346788	VSUSXLXBIQNIDM-UHFFFAOYSA-N	306.322	1.615	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(C2CC2)cnc1Cl	843657768	RUXUNSXAZXBENY-LDYMZIIASA-N	323.780	1.798	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)CNc1ccccc1)n1ccnc1	846627959	LPCDGILVGXOJBT-GFCCVEGCSA-N	301.350	1.094	50	20	DDGD	
C=CCOc1ccccc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843640598	CUZYMMPRVHAKJV-RYUDHWBXSA-N	304.346	1.437	50	20	DDGD	
COc1ccc(OCc2nc(C=NNC(N)=O)cs2)cc1	920356430	LBFRRQAPCJRLDI-UHFFFAOYSA-N	306.347	1.733	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C2CC3(CC3)C2)cc1	856791056	GGGXLJZGBWGESW-UHFFFAOYSA-N	303.362	1.445	50	20	DDGD	
CCn1ccc(NC(=O)C(=O)NNc2cc(C)cc(C)c2)n1	850422144	GXENUXQOAJRJEO-UHFFFAOYSA-N	301.350	1.602	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cn(CCOC)c2ccccc12	921038223	LMHWLRUVUUKASA-UHFFFAOYSA-N	318.377	1.642	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccn(CC(F)F)n1)C1CC1	855097632	VFTZIMHNDFCBBY-SSDOTTSWSA-N	317.365	1.056	50	20	DDGD	
CN1CCC(NC(=O)NC[C@]2(C)C[C@@H]2Br)CC1	856830143	GQPLMMLBEUBQAV-JQWIXIFHSA-N	304.232	1.553	50	20	DDGD	
CN1C(=O)CC[C@@H]1CC(=O)NC[C@]1(C)C[C@@H]1Br	857733334	JDWADPSIWVKCNQ-PTRXPTGYSA-N	303.200	1.287	50	20	DDGD	
O=C(NNC(=O)c1noc2c1COCC2)NC1CCCCC1	857844526	NCQSZTADBNTKNO-UHFFFAOYSA-N	308.338	1.024	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2cnn(C)c2)CN1Cc1ccccc1	757585093	XICLVYIBGOCAHO-ZDUSSCGKSA-N	311.389	1.800	50	20	DDGD	
N#CCc1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1	758053621	IRNQZMVADPNOLX-UHFFFAOYSA-N	323.308	1.556	50	20	DDGD	
CSCCNC(=S)NNC(=O)COc1cccc(C)c1	752729927	DZQDABUPHRKWDJ-UHFFFAOYSA-N	313.448	1.232	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNC(=S)N[C@H](C)C1CC1	855099904	QCISHLKIOPIFGN-SNVBAGLBSA-N	322.434	1.696	50	20	DDGD	
CN(CCNC(=O)NNc1ncc(Cl)cn1)C1CCCC1	856860089	QIEAZKUOOGFTRW-UHFFFAOYSA-N	312.805	1.631	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1coc(-c2cccnc2)n1	854683197	LJKYDEQHARHNOZ-LBPRGKRZSA-N	316.317	1.067	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H]2C[C@H]2c2cncn2C)n1	854956589	KXJUVOUAUBDEBD-RKDXNWHRSA-N	306.757	1.419	50	20	DDGD	
Cc1cc(=NNC(=O)NCc2cc(N(C)C)ccn2)cc[nH]1	924671416	CHGBQHFFBZKEIF-UHFFFAOYSA-N	300.366	1.099	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H](CC(=O)NNc1cccnn1)C1CC1	753076519	CDIVEQGSMRQXJQ-NSHDSACASA-N	321.381	1.613	50	20	DDGD	
C[C@@]1(CNC(=O)NCC2(O)CCCC2)C[C@@H]1Br	856956803	VEOVGFIUGQJHBI-ONGXEEELSA-N	305.216	1.764	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Cc1ccc2c(c1)COC2	754238425	UWPJGLZUOIEMEG-UHFFFAOYSA-N	311.341	1.044	50	20	DDGD	
Cc1csc([C@H](C)C(=O)NNC(=S)N[C@@H](C)C2CC2)n1	855097070	ITVMLGJMLPXQRG-BDAKNGLRSA-N	312.464	1.849	50	20	DDGD	
CO[C@@]1(C)C[C@H](N(C)CC(=O)NNC(=O)C(C)(C)C)C1(C)C	752302218	MVRUTTXYEZKFLK-ZBEGNZNMSA-N	313.442	1.315	50	20	DDGD	
Cc1ccc(O)c(C=NNC(=O)c2ccc(-n3cnnn3)cc2)c1	755570461	YCXWMSWDSYBWCV-UHFFFAOYSA-N	322.328	1.440	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ncccc2Cl)[C@H]2CCCC[C@@H]2N1	857127532	TXBPZMFHCPRJSW-SCVCMEIPSA-N	322.796	1.873	50	20	DDGD	
CCOC(=O)NNC(=O)[C@]1(C(=O)OC(C)(C)C)CC1(C)C	854163263	OCYRVUARZSUDPO-AWEZNQCLSA-N	300.355	1.522	50	20	DDGD	
CCc1ccc([C@H](C)CC(=O)NNC(=O)c2cc[nH]n2)cc1	855358720	UFHISNNJLKUFSC-LLVKDONJSA-N	300.362	1.927	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2cc[nH]n2)c1C(C)C	855357252	FZWFOQIGGINBLD-UHFFFAOYSA-N	317.349	1.447	50	20	DDGD	
CCCc1ccccc1NC(=O)NNC(=O)[C@H]1CCC(=O)N1	860386197	SSNHGIWPZNEFFF-GFCCVEGCSA-N	304.350	1.070	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccc(COC(C)(C)C)cc1	765364797	DWMBZBIGCUHREY-UHFFFAOYSA-N	323.349	1.327	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H](O)[C@H](C)c2ccccc2F)n1	867286760	IAPIZTMCFXSQBZ-BMIGLBTASA-N	319.336	1.837	50	20	DDGD	
C[C@@H](NNC(=O)c1csc(S(C)(=O)=O)c1)C(F)(F)F	862315901	GZYKHTXFVILWTA-RXMQYKEDSA-N	316.326	1.337	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CCC1(O)CCC1)c1ccccc1	865630431	AMFJEODQNKXZAP-UHFFFAOYSA-N	304.390	1.807	50	20	DDGD	
CCCN(NC(=O)[C@@]1(CC)CCNC1=O)C(=O)OC(C)(C)C	868290950	ZTRXTHCYLHCGFU-HNNXBMFYSA-N	313.398	1.581	50	20	DDGD	
COc1nccnc1NNC(=O)[C@]1(C)COc2ccccc2O1	862004363	VDCWTSIUJXYTIN-HNNXBMFYSA-N	316.317	1.158	50	20	DDGD	
CCCNC(=O)CCC(=O)NNCC(F)(F)C(F)(F)F	863095698	LCKDKBXZUPDRMW-UHFFFAOYSA-N	305.247	1.111	50	20	DDGD	
CCN1C[C@H](CNS(=O)(=O)CC(C)(C)CCl)CC1=O	867460952	HILQHHVTEFEPMG-JTQLQIEISA-N	310.847	1.039	50	20	DDGD	
CCCC[C@@H](NC(N)=O)C(=O)NNCC(F)(F)C(F)(F)F	863094121	MBWUNRNJHMGKKP-ZCFIWIBFSA-N	320.262	1.032	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNc2nc(C)cc(C)n2)cc1F	765207966	WFHRBXBACMWPSH-UHFFFAOYSA-N	317.324	1.948	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)Nc1cncc2ccccc12	764337998	APCGGPOMNLWTEF-UHFFFAOYSA-N	312.329	1.121	50	20	DDGD	
Cc1cc(=NNC(=O)C[C@H](n2cccn2)C(F)(F)F)cc[nH]1	862515278	OUUNCWUCVXQDKF-NSHDSACASA-N	313.283	1.645	50	20	DDGD	
COC(=O)[C@H]1CN(C(=O)[C@@H](Br)C(C)(C)C)CCO1	767955867	PDKSTEVGBUURTO-RKDXNWHRSA-N	322.199	1.196	50	20	DDGD	
COc1ccc(O)c(S(=O)(=O)NCCSSC)c1	867242407	IJPXPLDCDBKPEG-UHFFFAOYSA-N	309.434	1.690	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Cc1cc(C)[nH]n1)c1ccc(F)cc1	869016917	UBNMWEHLKRMHRW-AWEZNQCLSA-N	318.352	1.741	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F)C(C)C	769740807	IEPGKHSKEPGCGN-ZWNOBZJWSA-N	312.341	1.411	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2cccc(Br)c2O)n[nH]1	764797124	NFOPHRXBMJJUAG-UHFFFAOYSA-N	323.150	1.950	50	20	DDGD	
CC(CCCCO)=NNC(=O)c1nn(C)c(=O)c2ccccc12	766687451	DVEISBAOSLHCIP-UHFFFAOYSA-N	316.361	1.202	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(C)nn1Cc1ccccc1	878141814	ZIZGXGJGMFDAQS-UHFFFAOYSA-N	317.393	1.855	50	20	DDGD	
CO[C@@H]1CN[C@@](C)(C(=O)NNc2ccccc2C(F)(F)F)C1	876597548	DXHFNTPKCXUFMM-TVQRCGJNSA-N	317.311	1.916	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2cc[nH]n2)c(C(F)(F)F)o1	771326789	DHAOREQNAGCLSL-UHFFFAOYSA-N	316.239	1.334	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=S)NCC2CCC2)cc1	1115960912	BXUBOXKNKGVVDS-UHFFFAOYSA-N	306.435	1.702	50	20	DDGD	
O=C(NN=Cc1nncn1Cc1ccccc1)[C@H]1CCCCO1	872380518	KDUMNGNLSZKLER-CQSZACIVSA-N	313.361	1.346	50	20	DDGD	
Cn1cc(C(=O)NN=CCCc2ccc3c(c2)OCCO3)cn1	774586626	IIHOJEICVBKJEE-UHFFFAOYSA-N	314.345	1.540	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)c2cc3c(s2)CCC3)CCO1	776337447	RUISDZCZMDJOME-KOLCDFICSA-N	308.403	1.813	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCCOCC2CC2)c1	875020215	IMWQPRNJFVHONI-UHFFFAOYSA-N	311.407	1.817	50	20	DDGD	
Cc1ccc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)c(O)c1	771846180	PIXMRMZSZJQPBO-NSHDSACASA-N	322.361	1.439	50	20	DDGD	
CC(Cl)(Cl)C(=O)NNc1ccccc1S(C)(=O)=O	777420615	WDTAMPFXYLHZFY-UHFFFAOYSA-N	311.190	1.727	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccc2nnc(O)n2c1	772859785	IYCPRBNEONTJLQ-UHFFFAOYSA-N	313.321	1.105	50	20	DDGD	
CN(C)[C@@]1(C(=O)NNc2ccccn2)COc2ccccc2C1	1123684761	NHYXYDSBKNBMFX-QGZVFWFLSA-N	312.373	1.460	50	20	DDGD	
COC(=O)c1cncc(C(=O)NNc2nc(C)cc(C)n2)c1	774262995	LSIQZYNZKIJVTK-UHFFFAOYSA-N	301.306	1.032	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ccc(C)nc1O	777772170	QWJCBQUGYIADAO-UHFFFAOYSA-N	301.302	1.639	50	20	DDGD	
CC(C)[C@@H]1C[C@H](CC(=O)NNC(=O)c2cccnn2)CCO1	882056634	BFYQNTOSZJNISF-YPMHNXCESA-N	306.366	1.079	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2ccccn2)nc1C	778421231	IQFLVXBKFCNGCS-UHFFFAOYSA-N	301.306	1.114	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1F)[C@H]1CCCc2nn[nH]c21	885153293	FHDCPJPCDQVLQB-ZETCQYMHSA-N	311.267	1.785	50	20	DDGD	
C[C@@H](O)c1ncc(C=NNC(=O)CNc2ccccc2)s1	772994996	BIIZEEMOOAZWSI-SNVBAGLBSA-N	304.375	1.759	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1c(-c2ccncc2)noc1C	887145901	WPEPZCAEPOKPHE-UHFFFAOYSA-N	312.329	1.610	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NN(C)C(=O)OC(C)(C)C	880277171	RUKXCXRJGMPAEP-JOYOIKCWSA-N	308.382	1.974	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1nc2c(s1)CCC2	789735899	WNECYNUXNSCNGJ-UHFFFAOYSA-N	324.406	1.154	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1ccc(C)c(Br)c1	782672949	UJSYIDUDZWKHSP-UHFFFAOYSA-N	314.183	1.650	50	20	DDGD	
CSCc1ccc(NC(=O)C(=O)NNc2cccnn2)cc1	784858921	ZFJXAPIJQRRJAD-UHFFFAOYSA-N	317.374	1.421	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1)c1cccnn1	882056354	QQSWXGMUQDLEIY-LSDHHAIUSA-N	324.384	1.897	50	20	DDGD	
COc1ccc(NNC(=O)NCCOc2ccc(F)cc2)nc1	780959557	GDYKFEHLZUFWOH-UHFFFAOYSA-N	320.324	1.934	50	20	DDGD	
COc1cccc(NNC(=O)NCCCOC[C@@H]2CCOC2)n1	780022711	GCBXFFULSCBATD-LBPRGKRZSA-N	324.381	1.160	50	20	DDGD	
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NNc1ccc(Cl)nn1	895108257	REWBHNRVVYGTNW-DTWKUNHWSA-N	312.757	1.553	50	20	DDGD	
CCc1cncc(C(=O)NNC(=O)COc2ccc(C)cc2)c1	789868558	HQHNVTPMQIAOJJ-UHFFFAOYSA-N	313.357	1.792	50	20	DDGD	
COc1cc(C(=O)NNC(=O)NCc2ccco2)ccc1O	785410380	ZLUMPOKUUCXAOP-UHFFFAOYSA-N	305.290	1.138	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CO[C@H](C)C1	784017701	MACDYQCKCGIMTO-OUAUKWLOSA-N	310.325	1.165	50	20	DDGD	
COC(=O)c1cc(C(=O)NN=c2cc[nH]c3ccccc23)ccn1	787886875	RXXRATZGEOQBFG-UHFFFAOYSA-N	322.324	1.595	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2n[nH]c3c2C[C@@H](C)CC3)n1	895556115	FPDSIVJHWQHDDD-QMMMGPOBSA-N	300.366	1.698	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cc(C(=O)O)c(Cl)s1	899340130	YLINDYVRSCTUBO-QPJJXVBHSA-N	314.750	1.769	50	20	DDGD	
Cn1ncc(NC(=O)NNc2cnccn2)c1C(F)(F)F	782102381	AAAYLYTXZNLXQM-UHFFFAOYSA-N	301.232	1.378	50	20	DDGD	
COCCOCCNC(=O)NNc1ccc(Cl)c(OC)c1	788876038	TXXCFVONQHPLPZ-UHFFFAOYSA-N	317.773	1.638	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC/C=C/Cl)cc1C	899058446	XKUGUWSORSIBBX-ZZXKWVIFSA-N	311.769	1.765	50	20	DDGD	
Nc1cc(F)cc(CNC(=O)NNC(=O)CC(F)(F)F)c1	892754674	XRMZHFDAJNFMQW-UHFFFAOYSA-N	308.235	1.191	50	20	DDGD	
CC(=NNC(=O)CNc1ccccc1F)c1cc(C)nn1C	788953359	ZYVNDANZUGDHGR-UHFFFAOYSA-N	303.341	1.820	50	20	DDGD	
OCCOC1CCN(C[C@@H](CBr)C2CC2)CC1	701859608	TYBUGZKEGVGWNC-GFCCVEGCSA-N	306.244	1.881	50	20	DDGD	
C[C@]1(C=NNC(=O)CNC(=O)c2cccnc2)CCCS1	793024514	IMPHWUPGPIPIKA-CQSZACIVSA-N	306.391	1.199	50	20	DDGD	
COc1ccc(Cl)cc1NC(=S)NNC(=O)N(C)C	792676682	ILBCSJJDBMBHBM-UHFFFAOYSA-N	302.787	1.821	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H]1CCCCN1Cc1ccncc1	1318360241	VQNPRBMAAPUQKP-CQSZACIVSA-N	304.394	1.240	50	20	DDGD	
Cc1noc(-c2ccc(C(=O)NNC(=O)c3ccccn3)cc2)n1	1317749005	HIXYXXRVNISDBJ-UHFFFAOYSA-N	323.312	1.515	50	20	DDGD	
CC(C)c1ncc(C(=O)NNC(=O)c2ccc(Cl)cc2O)[nH]1	1319053538	LMSMEBFIAONTSV-UHFFFAOYSA-N	322.752	1.967	50	20	DDGD	
O=C(NNc1ccc(-c2ccccc2)nn1)[C@]1(F)CCOC1	1322966246	CZEFLKHPDUFWPT-HNNXBMFYSA-N	302.309	1.715	50	20	DDGD	
CCCc1nc(C)c(NC(=O)C(=O)NNc2cccnn2)s1	1324362384	NRLMTTFQGTXPGW-UHFFFAOYSA-N	320.378	1.276	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)SCCO1	1328888514	XKSNAFUECVPXLW-UHFFFAOYSA-N	322.390	1.044	50	20	DDGD	
N#CC1(C(=O)NNC(=O)c2ccccc2Cl)CCOCC1	1322624671	AOBWHIMSGPPUPX-UHFFFAOYSA-N	307.737	1.421	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1ccn(-c2ccncc2)n1	1320807567	HPLUCGAMWRTZIY-UHFFFAOYSA-N	314.736	1.495	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNC(=O)C1CCNCC1)c1ccccc1	1328708627	JTDODPHNTPMBIN-OAHLLOKOSA-N	318.421	1.714	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccccc1N1CCCC1=O	1251279932	BRWOXPFCSOLFPQ-UHFFFAOYSA-N	316.361	1.167	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(C)nn2C2CCOCC2)ncn1	1331796934	RLYAQBVULUTOAR-UHFFFAOYSA-N	316.365	1.398	50	20	DDGD	
COCc1nocc1C(=O)NNC(=O)c1c[nH]c2ccccc12	1261216134	GEIWGHUTMLULAF-UHFFFAOYSA-N	314.301	1.377	50	20	DDGD	
CC(=NNC(=O)CCO)c1nnn(-c2ccc(C)cc2)c1C	1343882491	RUSFCQROCUCLPM-UHFFFAOYSA-N	301.350	1.107	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1ccccc1C(C)C	1349090551	QNLMFQONEQRQKH-UHFFFAOYSA-N	315.373	1.699	50	20	DDGD	
O=C(O)c1cc(F)cc(S(=O)(=O)NCC(Cl)Cl)c1	1602273516	OMELRVBXNWTECX-UHFFFAOYSA-N	316.137	1.606	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@H](C(=O)O)C(C)(C)C)c1	1604091344	YVDAFRZHKVFHGE-GFCCVEGCSA-N	321.377	1.261	50	20	DDGD	
Cc1cnc(O)c(CNC(=O)NNc2cccc(C(=O)O)c2)c1	1600060419	HNZAKATWPLHHGY-UHFFFAOYSA-N	316.317	1.620	50	20	DDGD	
Cc1nccnc1CCNC(=O)NNc1cccc(C(=O)O)c1	1600756217	RZOUMUOCAUGTHY-UHFFFAOYSA-N	315.333	1.352	50	20	DDGD	
Cn1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)cc1C(=O)O	1600945546	ZVRUKFDGKQWOEF-UHFFFAOYSA-N	316.273	1.395	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccnc(-n3ccnc3)c2)nc1	1608904641	BHGPACFUPSNBHG-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
Cc1c(NNC(=O)N[C@H]2CCN(C)[C@@H]2C)cccc1C(=O)O	1600051427	RKSUGIVJLSSXLN-MFKMUULPSA-N	306.366	1.412	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)N[C@H]1CC12CCNCC2	1601559098	LGUOGJINNFWICY-NSHDSACASA-N	322.340	1.292	50	20	DDGD	
CC[C@@H](C)C[C@@H](C)NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1604001242	RWZBMVURGHTVOI-NXEZZACHSA-N	318.385	1.713	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)Nc1ccc(CC(=O)O)cc1	1609695302	AUXONAUMXAMVAZ-UHFFFAOYSA-N	307.350	1.903	50	20	DDGD	
COc1cccc([C@@](C)(CC(=O)O)NS(=O)(=O)CCl)c1	1610358243	YHEZCSMNWWAJMK-GFCCVEGCSA-N	321.782	1.501	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@](C)(C#N)CC(=O)O)c1F	1610981581	UHXIAECYLVAMEX-CQSZACIVSA-N	323.280	1.060	50	20	DDGD	
O=C(NN=Cc1ccsc1Cl)[C@@H]1CN2CCC[C@H]2CO1	1549322556	ZZOWJFVFFHNCMI-QWRGUYRKSA-N	313.810	1.715	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@@H]1C=NNC(=O)[C@H]1CC[C@H](C)O1	1552762261	BRGDCOGFVBXEGV-REWJHTLYSA-N	320.393	1.650	50	20	DDGD	
CC(=O)C(=O)N1CCC2(CCCN(C(=O)[C@H](F)Cl)C2)CC1	1810901339	HRGBNUPESGOSBZ-NSHDSACASA-N	318.776	1.341	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2CCNC3(CCC3)C2)C[C@@H]1Br	1576344629	ZTLVTPPLYIHYJT-SCVCMEIPSA-N	301.228	1.951	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@H](C)N	1575412639	CUAKXVDIWPFWDO-SHJQWZHBSA-N	321.465	1.970	50	20	DDGD	
N[C@@H]1CCCn2nc(C(=O)NNc3ccc(Cl)cn3)cc21	1580190782	JBQNSPCMECKSEI-SECBINFHSA-N	306.757	1.482	50	20	DDGD	
O=C(NCC(Cl)Cl)c1cn([C@@H]2CCCNCC2)nn1	1580628110	KFGSIFFCEAZKCZ-MRVPVSSYSA-N	306.197	1.126	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)C(C)(C)F)C2	1845164093	KOIUJIGWZFVNBS-SNVBAGLBSA-N	304.793	1.955	50	20	DDGD	
C=CCC(=O)N1CCCC12CN(C(=O)[C@@H](Cl)COC)C2	1846378208	LIDJPUWUPCTTMH-NSHDSACASA-N	300.786	1.020	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H]1CCOC1)C2	1845168075	JVFRUTZPZLYBMI-RYUDHWBXSA-N	314.813	1.244	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(C)c(C(=O)O)c2)n1	1599394479	MIOIXCSRVBLSKB-UHFFFAOYSA-N	316.317	1.557	50	20	DDGD	
COc1nccnc1NNC(=O)C1(C(=O)O)CCCCCC1	1594159847	ZKGPUFRUSJUYPG-UHFFFAOYSA-N	308.338	1.354	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CC[C@@H](CCC(=O)O)O2)cc1	1599598345	XZCQUPPKRNZNQE-QWHCGFSZSA-N	308.334	1.551	50	20	DDGD	
CN(C)N(C(=O)[C@H]1C[C@@H]1C1CC1)c1nc(CC(=O)O)cs1	1598257701	RGMZLDKWUSVYFM-MNOVXSKESA-N	309.391	1.626	50	20	DDGD	
C[C@H]1COCC[C@@H]1NC(=O)NNc1ccc(F)c(C(=O)O)c1	1594604493	QDJYAHGIIFJCPQ-UFBFGSQYSA-N	311.313	1.575	50	20	DDGD	
CC[C@H](C)CC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1590404574	UMPBXSUKURTXAT-QMMMGPOBSA-N	307.358	1.857	50	20	DDGD	
O=C(O)CC[C@H]1C[C@@H](C(=O)NNc2nc3ccccc3[nH]2)CO1	1595004305	JDWBHJPUCPRFGL-ZJUUUORDSA-N	318.333	1.276	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NN=Cc1cc(C(=O)O)c(C)cc1C	1776102681	VXEZZSJFABANAQ-KGLIPLIRSA-N	304.346	1.877	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@H](Cc1ccccc1)C(C)C	158858925	OXUFSLMLZHSHLW-CQSZACIVSA-N	319.405	1.173	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)Cc2ccncc2)c(F)c1	160237741	NWHRZZKGMGBYKA-UHFFFAOYSA-N	316.336	1.290	50	20	DDGD	
CN(Cc1cccc(N(C)C)c1)C(=O)NNC(=O)C(C)(C)C	151056243	GOXJKZLBUXKONF-UHFFFAOYSA-N	306.410	1.971	50	20	DDGD	
COc1cc(C(=O)NNC=C(C#N)C#N)ccc1OC(C)C	153337446	RNEANZCPSZHQCB-UHFFFAOYSA-N	300.318	1.648	50	20	DDGD	
CC(C)C[C@H](C)NC(=O)NNC(=O)COCc1ccccc1	157582053	VIVDQOKNGGFRDG-ZDUSSCGKSA-N	307.394	1.968	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)c2ccccc2)c1C#N	159540090	UHALOSUSCSABTJ-UHFFFAOYSA-N	322.324	1.266	50	20	DDGD	
Cc1ccn(CC(=O)N(C)NC(=O)OCc2ccccc2)n1	862288916	SDZYFIMRTTVWQJ-UHFFFAOYSA-N	302.334	1.491	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cc(Cl)ccc1Cl	53919343	FGAQELSGNRLUTM-UHFFFAOYSA-N	318.160	1.680	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCN(C)C(C)C)cc1	102063685	FNVSBAVGJODKSP-UHFFFAOYSA-N	306.410	1.533	50	20	DDGD	
CC(=O)NNC(=O)c1nc(C(C)C)n(-c2ccccc2F)n1	174983911	IDZMEFLVFBDGIU-UHFFFAOYSA-N	305.313	1.311	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)c2ccc(C#N)cc2)n(C)n1	174148227	DGILKBKQTXCNCX-UHFFFAOYSA-N	311.345	1.490	50	20	DDGD	
C[C@H](OC[C@H]1CCCCO1)C(=O)NNC(=O)CC(C)(C)C	171482633	HUWKXGISLODXBV-NWDGAFQWSA-N	300.399	1.544	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2csc(-c3ccco3)n2)cn1	117679424	ACKLHWLULKITGW-UHFFFAOYSA-N	317.330	1.211	50	20	DDGD	
Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NNc1ccccc1	111555311	VVMDPQBNLLOEIG-UHFFFAOYSA-N	311.345	1.325	50	20	DDGD	
C[C@H](C(=O)NNC(=O)OC(C)(C)C)N1CCc2ccccc2C1	111545740	VKPBEZMLIAROJF-GFCCVEGCSA-N	319.405	1.989	50	20	DDGD	
CSC[C@@H](C)C(=O)NNC(=O)Cc1nc2ccccc2n1C	66816595	VGOCMWWUFHGCDO-SNVBAGLBSA-N	320.418	1.262	50	20	DDGD	
NC(=O)[C@@H](NNC(=O)c1cccc(Cl)c1)c1ccccc1	26223426	MJQIQAPEILHGBN-ZDUSSCGKSA-N	303.749	1.801	50	20	DDGD	
Cc1cc(C)c2cc(C(=O)NNc3nnc(C)c(O)n3)[nH]c2c1	23311718	YDTPHMVPSIEDQG-UHFFFAOYSA-N	312.333	1.741	50	20	DDGD	
CC(C)(C)c1ccccc1OCC(=O)NNC(=O)NC1CC1	64429265	OJPVCDNCXITHRW-UHFFFAOYSA-N	305.378	1.856	50	20	DDGD	
C#CCCCCC(=O)NNC(=O)COc1ccccc1OC	179630377	YBEBQADYEFCCBK-UHFFFAOYSA-N	304.346	1.415	50	20	DDGD	
COc1ccccc1OCCC(=O)NNC(=O)NCC1CC1	65197564	OMQIMRXNYNCASU-UHFFFAOYSA-N	307.350	1.205	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CC(=O)NNc1cccc(Cl)c1	65842601	FIZJEGVBKNLQDR-UHFFFAOYSA-N	309.713	1.896	50	20	DDGD	
O=C(NNC(=O)c1c[nH]nc1-c1ccccc1)c1ccccc1O	71814940	VXMLXBSAGOOKEM-UHFFFAOYSA-N	322.324	1.857	50	20	DDGD	
CCCCn1cc(C(=O)NNC(=S)N[C@H](C)C2CC2)c(C)n1	184955966	RBMHBPIYRSYKAE-SNVBAGLBSA-N	323.466	1.899	50	20	DDGD	
O=C(CC1(N2CCOCC2)CCCC1)NNc1ccncc1	183008023	ZAXHZIMVAYQJOA-UHFFFAOYSA-N	304.394	1.560	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2ncccn2)c2ccc(F)cc2N1	44716924	AGNNFEZNIFSGES-SNVBAGLBSA-N	301.281	1.185	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)/C=C/c1ccc(C(C)(C)C)cc1	190074674	MPFVOVWFBOSQNA-DHZHZOJOSA-N	304.390	1.916	50	20	DDGD	
O=C(COc1ccc(F)cc1F)NNC(=O)c1ccncc1	193128289	LIRGJIZROXBSMP-UHFFFAOYSA-N	307.256	1.200	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2ncc(F)cc2F)c1	192058106	WJGNXKIMZANGEZ-UHFFFAOYSA-N	320.299	1.501	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(CCCNC(=O)NNc2ncccn2)C1	46426866	CGDUTQSEBXRCLT-BETUJISGSA-N	306.414	1.471	50	20	DDGD	
COc1ncccc1C(=O)NNc1nc2ccccc2c(=O)[nH]1	137157162	QIKGSVOEQDLNSB-UHFFFAOYSA-N	311.301	1.084	50	20	DDGD	
CC(C)(C)OCC(=O)NNC(=O)NCc1ccc(Cl)cc1	191593786	QTLATFADTRDMIH-UHFFFAOYSA-N	313.785	1.986	50	20	DDGD	
O=C1CCCC[C@H](C(=O)NNc2ccc(OC(F)F)cc2)N1	194389266	UKBJCFGQENJYCZ-LLVKDONJSA-N	313.304	1.790	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)C[C@@H]1CCCOC1	195009727	SBBWREIGDYIWKH-NSHDSACASA-N	310.325	1.169	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Cc1cccc(F)c1F	87249419	IZQJYXPHSGSRLL-UHFFFAOYSA-N	305.284	1.292	50	20	DDGD	
CC(C)(C)c1noc(CCCC(=O)NNC(=O)NC2CC2)n1	143241857	FBRMRVNAXMCGAZ-UHFFFAOYSA-N	309.370	1.183	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NNc1cc(C#N)cc(Cl)n1	93546305	FCQDGTNZNWKYJW-KOLCDFICSA-N	324.768	1.634	50	20	DDGD	
NC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1cccnc1	254823401	HMQYLXIISDGCRR-UHFFFAOYSA-N	306.329	1.937	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cn(C)nc1-c1ccccc1	255282202	CVFQMEBZTSFKTD-UVTDQMKNSA-N	310.357	1.757	50	20	DDGD	
N#C/C(=C\c1csnn1)C(=O)Nc1ccccc1C(=O)O	255504794	WKNSICQPFLBUIS-VMPITWQZSA-N	300.299	1.782	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H](C)CCCO)cc(C#N)n1C	268640874	HCOXZWPACDZFGR-NGPAHMQLSA-N	300.362	1.389	50	20	DDGD	
CC1(C)C[C@@H](NC(=O)NNC(=O)c2ccccc2O)CCO1	269963696	MLLMWWOWFXDWKZ-JTQLQIEISA-N	307.350	1.294	50	20	DDGD	
CC(C(=O)NNC(=O)C(=O)Nc1ccccn1)=C1CCCC1	268211657	AMKKQCPVLHRISY-UHFFFAOYSA-N	302.334	1.058	50	20	DDGD	
CCC(=O)N[C@@H](CCSC)C(=O)NNc1ccc(C#N)cc1	269579493	IPWMQJTUCNWPEX-ZDUSSCGKSA-N	320.418	1.649	50	20	DDGD	
Cc1nn(C)c(C)c1OCC(=O)NNC(=O)c1ccccc1F	268168177	PJDLCESMOMGZCN-UHFFFAOYSA-N	320.324	1.016	50	20	DDGD	
C[C@@H](CC1CCCC1)C(=O)NNc1nc(O)c2cnn(C)c2n1	269286799	CWTGIRYHNUQBBL-VIFPVBQESA-N	318.381	1.728	50	20	DDGD	
CC[C@@H](OC)C(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1	269329447	XBROLGBUCMFQTN-SECBINFHSA-N	322.369	1.155	50	20	DDGD	
Cc1c(NNC(=O)NCCC[C@H](C)CO)cccc1[N+](=O)[O-]	270514429	LVSNYXKOOVPMDL-JTQLQIEISA-N	310.354	1.938	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@H]2CCCS2)nc1C	272229982	VLMGEFYUDYQWSV-SNVBAGLBSA-N	310.379	1.300	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1ccc(C#N)cc1F	274166708	FZBFYJFXHRDAIK-UHFFFAOYSA-N	322.296	1.192	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1	271357800	MTHMODHSIAWYFU-HNNXBMFYSA-N	318.421	1.591	50	20	DDGD	
Cc1c(C(=O)NNc2cccnn2)nnn1CC1CCCC1	279840729	WHLOXABUFKVDIS-UHFFFAOYSA-N	301.354	1.324	50	20	DDGD	
O=S(=O)(CBr)NCC1(c2ccccn2)CCC1	375616527	IDEJEFMXXVFLKG-UHFFFAOYSA-N	319.224	1.775	50	20	DDGD	
CCOCC(C)(C)CNC(=O)NNC(=O)c1ccccc1OC	288187000	ASENDQIWENPLOV-UHFFFAOYSA-N	323.393	1.702	50	20	DDGD	
CCCC1(CNC(=O)NNc2ccc(-n3ccnc3)nn2)CC1	287255849	XPOCARWIDIDIDK-UHFFFAOYSA-N	315.381	1.869	50	20	DDGD	
CCNC(=O)C1(CNC(=O)NNc2cccc(F)n2)CCC1	288523067	CMJGVJAWQMSIBX-UHFFFAOYSA-N	309.345	1.153	50	20	DDGD	
COC(=O)[C@H]1CC[C@H](C(=O)NNC(=O)c2ccccc2C)CC1	280683172	ZQSWTYAAFDDMOE-JOCQHMNTSA-N	318.373	1.735	50	20	DDGD	
CSCC[C@H](O)C(=O)NNC(=O)c1c[nH]c2ccccc12	294305331	IVZDYTDQIOTLJW-LBPRGKRZSA-N	307.375	1.043	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(-c2ccccn2)nc2ccccc12	804025717	URLQHJGQTXHFBT-UHFFFAOYSA-N	321.340	1.871	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)n1	299561884	SCTLPJQVQZNYLF-ZDUSSCGKSA-N	317.393	1.185	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1C[C@]1(C)C(C)C	807372140	ZHSLXNNXGHRHEQ-SMDDNHRTSA-N	300.399	1.605	50	20	DDGD	
COc1cnc2ccccc2c1C(=O)NNC(=O)c1ccncc1	801795057	KYKULHZNJAHMLG-UHFFFAOYSA-N	322.324	1.713	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)COc1cc(C)cc(C)c1)C(C)C	298038434	RLMFFCLZUQKHAV-OAHLLOKOSA-N	317.389	1.670	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNc2cccc(F)n2)cc1	807392580	RTSIGYCWNVYICI-UHFFFAOYSA-N	318.308	1.701	50	20	DDGD	
COC[C@@H](C)n1ccc(NC(=O)NNc2cccc(F)n2)n1	806443727	SOAVGKYMECKGKM-SECBINFHSA-N	308.317	1.773	50	20	DDGD	
Cn1nccc1COCC(=O)NNc1cnc2ccccc2n1	803108751	GXIASRDHWUUSBE-UHFFFAOYSA-N	312.333	1.023	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)COc2ccccc2F)no1	804031128	SHPUFJGJQCWMPO-UHFFFAOYSA-N	308.269	1.354	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Cc1cccs1	807371835	RCGLDUIGTMRMRS-UHFFFAOYSA-N	300.380	1.227	50	20	DDGD	
COc1cccc2c(C(=O)NNc3ccc(Cl)nn3)n[nH]c12	809684583	HQRRDQKHZROEFH-UHFFFAOYSA-N	318.724	1.772	50	20	DDGD	
CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)NNc1ncncc1F	292633817	JUVVJBYMWFQEBZ-PWSUYJOCSA-N	311.361	1.693	50	20	DDGD	
CC[C@@H](C)CONC(=O)NNC(=O)COc1ccccc1F	291709896	GHELTJVMSVJWIA-SNVBAGLBSA-N	313.329	1.513	50	20	DDGD	
CC(C)(C)OC(=O)NCCCCNC(=O)NNc1ccncn1	296654466	NJBPNKLHUXPVPM-UHFFFAOYSA-N	324.385	1.408	50	20	DDGD	
Cc1cn(-c2ccc(F)cc2)nc1C(=O)NNc1cccnn1	801190393	RLWMSAULBURGPM-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
O=C(Cc1ccc(F)cn1)NNC(=O)Cc1ccccc1F	806824236	JNNTWDZIKJVVAL-UHFFFAOYSA-N	305.284	1.292	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1n[nH]cc1[N+](=O)[O-]	805472221	BMFHRVRDMSIEAL-UHFFFAOYSA-N	303.282	1.132	50	20	DDGD	
CC(=NNC(=O)CC(C)(C)C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	811641241	SVZXBVUPBZRSGE-UHFFFAOYSA-N	316.361	1.493	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)NCC(=O)NCC#N	813165128	VCIYQXWHNMOSQY-UHFFFAOYSA-N	303.366	1.384	50	20	DDGD	
CS(=O)(=O)CC1CCC(=NNC(=O)c2ccc(O)cc2)CC1	814691947	UIYHYYRTCRBNBM-UHFFFAOYSA-N	324.402	1.713	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1nc2cc(Cl)ccn2n1	810248637	ZAHKIOGEULRQEF-UHFFFAOYSA-N	319.712	1.177	50	20	DDGD	
CN(NC(=O)CNC(=O)NCc1ccc(Cl)cc1)C1CC1	819648064	VEZMSUMQKIQLQC-UHFFFAOYSA-N	310.785	1.265	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1c[nH]nc1-c1ccccc1F	814957803	QARDWMITMBRBKK-UHFFFAOYSA-N	312.308	1.632	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=C1CCOc2c(Cl)cccc21	814956533	CRFTYESUXCTEAM-UHFFFAOYSA-N	304.737	1.909	50	20	DDGD	
CO[C@@](C)(CNC(=O)NNC(=O)CCc1ccccc1)C1CC1	812923796	FLNPJVCPPACVRV-KRWDZBQOSA-N	319.405	1.765	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNC(=O)N=c2cc[nH]cc2)cn1	813574267	RSTOJZZQKUDEOZ-UHFFFAOYSA-N	314.349	1.058	50	20	DDGD	
Cn1c2c(ccc1=O)C(=NNC(=O)NCc1ccco1)CCC2	814817139	DQFLUEHFZYJJLU-UHFFFAOYSA-N	314.345	1.518	50	20	DDGD	
COc1nccnc1NNC(=O)c1scnc1C(F)(F)F	816970544	CGPSGARPNOUAHN-UHFFFAOYSA-N	319.268	1.717	50	20	DDGD	
COCCC(COC)=NNC(=O)COc1ccc(OC)cc1	812223673	HWTJLLGXOQHVHD-UHFFFAOYSA-N	310.350	1.229	50	20	DDGD	
CN(C)C[C@@H](CO)NC(=O)CCCC[C@@H]1CCSS1	816617921	LLDXUPDJYWCQBH-NWDGAFQWSA-N	306.497	1.739	50	20	DDGD	
CCc1nnsc1C(=O)NNC(=O)c1cccc(C#N)c1	728828023	HBQTUOZETDPTIC-UHFFFAOYSA-N	301.331	1.047	50	20	DDGD	
C[C@H]1C[C@H](C(=O)O)CCC1=NNC(=O)c1ccnc(N(C)C)c1	814844230	FBFRZAXPTNMDFA-CMPLNLGQSA-N	318.377	1.754	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccc(Cl)cc2O)n1	810177405	RACOGOVCTVBUOB-UHFFFAOYSA-N	316.704	1.387	50	20	DDGD	
Cc1nc(CNC(=O)NNc2ncccn2)nc2ccccc12	726716425	AWHKAWWZPLCVLA-UHFFFAOYSA-N	309.333	1.555	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C	495691894	DTGWZSWOVHCIOR-ZJUUUORDSA-N	315.370	1.409	50	20	DDGD	
CN(C)N(C(=O)/C=C/C1CCCC1)[C@@H]1CCS(=O)(=O)C1	493436265	SXXPFZSWBBHACF-SBDDDAINSA-N	300.424	1.225	50	20	DDGD	
C[C@H](C[C@H](O)c1ccccc1)NC(=O)/C(C#N)=C/c1cnn(C)c1	491176557	QGFKKSKRWVCCFV-APQQQCEHSA-N	324.384	1.955	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C[C@@]2(C)CC2(Cl)Cl)n[nH]1	827018306	IEGCLXBKGKALMY-JTQLQIEISA-N	305.165	1.453	50	20	DDGD	
C#CCNC(=O)C1CCN(C[C@H](C)CBr)CC1	491103731	PUDGKYRIMVGFCP-LLVKDONJSA-N	301.228	1.479	50	20	DDGD	
CN(C)Cc1cccc(CNC(=O)/C(C#N)=C\c2cnn(C)c2)c1	491127855	BUTYZVVHSYLRIU-IUXPMGMMSA-N	323.400	1.705	50	20	DDGD	
CCN(CCO)NC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O	823838238	NDVWXBGNUWFPEK-INIZCTEOSA-N	317.389	1.296	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CSC(F)F)c1	726442844	CXSKUSZITQHMRI-UHFFFAOYSA-N	315.370	1.941	50	20	DDGD	
CN(NC(=O)[C@@H]1CCO[C@@H]1CNC(=O)OC(C)(C)C)C1CC1	496942703	JCQHKVCQXPPDFS-VXGBXAGGSA-N	313.398	1.042	50	20	DDGD	
Cn1nc(C(F)(F)F)cc1NC(=O)NNC(=O)C1CCCC1	826135514	LDXVQYPUBMFDEA-UHFFFAOYSA-N	319.287	1.782	50	20	DDGD	
CCn1nc(C)c(CNC(=O)NNc2ccc(Cl)nc2)n1	824708588	SBIKVRDXEZKAGR-UHFFFAOYSA-N	309.761	1.481	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1csc(-c2cnccn2)n1	728240809	SYUHBPRYBXOCSA-UHFFFAOYSA-N	317.374	1.551	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C2CCC2)cc1	822222124	VGFVGEOHGNDWDN-UHFFFAOYSA-N	317.389	1.907	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)C1CCC=CCC1	824560866	ODRAVYVZUSLFMP-UHFFFAOYSA-N	323.437	1.823	50	20	DDGD	
CN(C)C[C@@H]1CCCCN1C(=O)/C(C#N)=C/c1cnn(C)c1	491159406	IPNCEYOXAMMBJL-NHXNDTTKSA-N	301.394	1.270	50	20	DDGD	
CCCCOc1c(Cl)cc(C(=O)NCB(O)O)cc1OC	585058163	AXLUUXZOCZMJTG-UHFFFAOYSA-N	315.562	1.269	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1CCSC12CCCCC2	584987968	ZMEKLJSEWQZFJJ-UHFFFAOYSA-N	323.198	1.355	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(Oc2cccnc2)cc1	823853040	XUKSJPBCEUSWAA-UHFFFAOYSA-N	301.346	1.833	50	20	DDGD	
CC[C@@H]1CN(CC(=O)NNC(=O)c2cccs2)C[C@@H](C)O1	732208516	VGUYORYEOHFBMJ-GHMZBOCLSA-N	311.407	1.008	50	20	DDGD	
COCCN(CCC(=O)O)C(=O)[C@H](Br)C(C)(C)C	908957572	OQPVJXKHWZSBQX-JTQLQIEISA-N	324.215	1.746	50	20	DDGD	
CC[C@@H](C(=O)NNC(=S)NCCN(C)C)c1ccccc1	731941149	NYLTZIIGGQNBPY-CYBMUJFWSA-N	308.451	1.237	50	20	DDGD	
CC(C)n1cc([C@H](C)NCc2ccc(B(O)O)cc2F)cn1	585024652	ZNXDMFVHQFGRHR-NSHDSACASA-N	305.162	1.134	50	20	DDGD	
CCSCc1ccnc(NCc2ccccc2B(O)O)c1	585032712	ZACAXKVWOGGTIU-UHFFFAOYSA-N	302.208	1.627	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1cc([N+](=O)[O-])ccc1C	739411119	HQIOJOUZUZDQJA-UHFFFAOYSA-N	301.306	1.791	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)N2CC[C@H](B(O)O)C2)cc1OC	585070907	ICLNXFZWQIXRCN-LBPRGKRZSA-N	321.182	1.057	50	20	DDGD	
O=C(NCCn1cnc2ccccc21)NNC(=O)c1ccccc1	732595791	YPOIEJZHHCXBQN-UHFFFAOYSA-N	323.356	1.681	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)C(F)=C1CCCC1	494450815	FJLCOEMIEKHVNO-UHFFFAOYSA-N	315.345	1.456	50	20	DDGD	
CCCC(O)(CCC)CNC(=O)/C(C#N)=C\c1cnn(C)c1	491103797	LVSDNJKARDBVEA-ZSOIEALJSA-N	304.394	1.775	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NNC(=O)NCC	496996608	HOUBVAPHDZJXBB-SNVBAGLBSA-N	316.402	1.372	50	20	DDGD	
CC(C)(C)OC1CC(CC(=O)Nc2cccc(B(O)O)c2)C1	584911942	AZUHAGGKUQFPOU-UHFFFAOYSA-N	305.183	1.289	50	20	DDGD	
C[C@H]1CN(C(=O)[C@@]2(C)C[C@@H]2Br)C[C@@H](C)N1CCO	909033345	OJNCUZCRRAUGIY-NOHGZBONSA-N	319.243	1.073	50	20	DDGD	
COc1ccc(CCC(=O)NN=C(C)CS(C)(=O)=O)cc1	732528469	KXSDQHBRPZGJGR-UHFFFAOYSA-N	312.391	1.165	50	20	DDGD	
C[C@](O)(CNC(=O)[C@@]1(C)C[C@@H]1Br)C(F)(F)F	907157178	DBMLKNISTZFQDI-GEVIPFJHSA-N	304.106	1.589	50	20	DDGD	
O=C(NNC(=O)[C@H]1Cc2ccccc2S1)[C@H]1CCCCO1	833255971	JTWFDAFNVNIIPM-DGCLKSJQSA-N	306.387	1.420	50	20	DDGD	
C[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccc(B(O)O)cc1	584967938	DRUKDIMKZVZWCP-YVEFUNNKSA-N	309.174	1.420	50	20	DDGD	
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NNc1nc(C)cc(C)n1	905769816	JXLNEQAZCWMYOF-NWDGAFQWSA-N	306.366	1.516	50	20	DDGD	
CN1C[C@H](N(C)C(=O)[C@]2(C)C[C@H]2Br)CCC1=O	908369792	FVZYUSRGXYSZRN-KBVBSXBZSA-N	303.200	1.239	50	20	DDGD	
CN(C)CCN(C)CCCNC(=O)[C@@]1(C)C[C@@H]1Br	908240478	WBDWBSQSULIQLB-AAEUAGOBSA-N	320.275	1.160	50	20	DDGD	
Cc1cc(N2CC[C@H](B(O)O)C2)c2cc([N+](=O)[O-])ccc2n1	585079108	RZKQOMRLJDGEIN-JTQLQIEISA-N	301.111	1.505	50	20	DDGD	
COC1(CNC(=O)[C@]2(C)C[C@@H]2Br)CCOCC1	907089317	XMDMPCHENHWOAV-GXSJLCMTSA-N	306.200	1.472	50	20	DDGD	
CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2cc(B(O)O)ccc2F)C1	584930645	OWZZTDFYENVCMA-YVEFUNNKSA-N	319.185	1.546	50	20	DDGD	
OB(O)c1ccc(CNCCc2ccc(OC(F)F)cc2)cc1	585013953	DFXFJYMNUBMVNB-UHFFFAOYSA-N	321.132	1.300	50	20	DDGD	
CC[C@H](CNC(=O)c1ccc(B(O)O)cc1)CC(F)(F)F	585002011	KJARDQLCRFQVKO-VIFPVBQESA-N	303.089	1.075	50	20	DDGD	
O=C(c1cc(Oc2ccccc2)ccn1)N1CC[C@H](B(O)O)C1	585065728	JWKJKYCZXALALZ-LBPRGKRZSA-N	312.134	1.563	50	20	DDGD	
O=C(O)Nc1ccc(C(=O)NNC(=S)NCC2CCC2)cc1	738661440	UNPYNCJLDRUCEX-UHFFFAOYSA-N	322.390	1.686	50	20	DDGD	
CCC[C@H](C(=O)NNc1ccc(F)cc1C)S(N)(=O)=O	830796926	HZBXTZKIQOKQSE-LLVKDONJSA-N	303.359	1.034	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCNc1ccccn1	915918323	JTMHYWVKKMZCEI-UHFFFAOYSA-N	313.361	1.446	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H](C)c2c(C)noc2C)n1	746765355	PIBSYWNILRGTGK-QMMMGPOBSA-N	320.353	1.786	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)N[C@@H](C)CCCN)c1	841999359	HVROOXLPHWTVEY-ZDUSSCGKSA-N	322.409	1.140	50	20	DDGD	
O=C(NNC(=O)c1cccc2c1OCCO2)c1ccccc1O	742782159	KBGONMKWAVVRPR-UHFFFAOYSA-N	314.297	1.238	50	20	DDGD	
Cc1nc(NC(=O)NNc2ncnc(Cl)c2C(C)C)nn1C	841720797	NEZNTKTYHOCYGB-UHFFFAOYSA-N	324.776	1.839	50	20	DDGD	
COC/C(C)=C/C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	844290033	ZTHBUSDJBTXQAW-RJCSOLBVSA-N	310.325	1.333	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)[C@H]1CC(=O)N(C2CCCC2)C1	743818357	UYMMSGYAGVKGEM-JTQLQIEISA-N	322.796	1.969	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1	843645677	RWKFKRQAOMNUFB-NZPIUUIZSA-N	306.337	1.502	50	20	DDGD	
C[C@H]1CCC[C@@H](C(=O)NNC(=O)COc2ccccc2O)C1	741687858	FXMQMQBDLWHXKV-NWDGAFQWSA-N	306.362	1.745	50	20	DDGD	
O=S(=O)(CBr)N[C@H]1COCc2ccccc21	841569558	BRKRITQSEISAKB-JTQLQIEISA-N	306.181	1.530	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)Cc1cc(F)ccc1Cl	849388052	YVUAAJQMDSPVKF-UHFFFAOYSA-N	323.777	1.475	50	20	DDGD	
CC(C)Cn1nccc1C=NNC(=O)CNC(=O)c1ccco1	842526310	RKOKPZIEIDGRQW-UHFFFAOYSA-N	317.349	1.012	50	20	DDGD	
N[C@H]1CCC[C@@H](NC(=O)NNC(=O)c2ccc(Cl)cc2)C1	841981793	IXVUXUXDHBXUES-NWDGAFQWSA-N	310.785	1.554	50	20	DDGD	
COc1ccccc1[C@H](C)CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843647242	LQZBJSWVKVDTMP-YRGRVCCFSA-N	320.389	1.761	50	20	DDGD	
NC(=O)N1CCC[C@H](C(=O)NNc2ccc(F)c(F)c2F)C1	748215009	RAVHGFGASDJFRS-ZETCQYMHSA-N	316.283	1.338	50	20	DDGD	
C[C@H]1CC[C@H](C)N1CC(=O)NNC(=O)Cc1ccccc1F	746239133	DYHHTKSGVKMTPL-RYUDHWBXSA-N	307.369	1.388	50	20	DDGD	
O=C(NCCOC[C@@H]1CCCO1)NNc1ccc(F)c(F)c1	918988567	LCETWZIPOWTCCG-NSHDSACASA-N	315.320	1.787	50	20	DDGD	
CCNCCNC(=O)NNC(=O)Cc1ccc2ccccc2c1	841934591	BNYDUYBRTVATKC-UHFFFAOYSA-N	314.389	1.322	50	20	DDGD	
O=C(NCCNC1CC1)NNc1ccc(OC(F)F)cc1	841930409	YCWYZNQXKNUMPO-UHFFFAOYSA-N	300.309	1.666	50	20	DDGD	
COC/C(C)=C/C(=O)NNC(=O)CSc1ccccc1OC	845904187	ZXOCGGBAJXUQLQ-DHZHZOJOSA-N	324.402	1.527	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H](C)c1cnn(C)c1)c1ccccc1	749991524	XTGCZHSTXGXDAA-WFASDCNBSA-N	314.389	1.865	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1)c1cccn2c(O)nnc12	758385332	PMUQCKIUZYUMNR-UHFFFAOYSA-N	303.709	1.845	50	20	DDGD	
CC1(C)C[C@]1(C(=O)O)C(=O)NNc1ncnc2ccsc12	852948637	GLLDEXAIVOLLIC-CYBMUJFWSA-N	306.347	1.635	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCC2(N(C)C)CCC2)c1	858381349	MGILLNDWQGILJE-UHFFFAOYSA-N	310.423	1.485	50	20	DDGD	
CNS(=O)(=O)c1ccc(C(C)=NNC(=O)NCC2CC2)cc1	920828655	CMUBVGQJBKOPDI-UHFFFAOYSA-N	324.406	1.028	50	20	DDGD	
O=C(CC[C@@H]1CCOC1)NNC(=O)NCCc1cccs1	751360137	FDVMGJPIUOWNDN-LLVKDONJSA-N	311.407	1.438	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1O)C1CC1	855099484	HCLKWHYMGFMGDS-ZETCQYMHSA-N	324.362	1.208	50	20	DDGD	
COC(=O)[C@@H]1CN(C[C@@H](CBr)C2CC2)CCO1	859119971	YYMLTYPDMRENOH-MNOVXSKESA-N	306.200	1.281	50	20	DDGD	
CC(C)Oc1cccc(C(=O)NNC(=O)c2ccccc2O)n1	755225567	GIJIVXRUQBJDLT-UHFFFAOYSA-N	315.329	1.649	50	20	DDGD	
CC[C@@H]1COCC1=NNC(=O)c1cc(OC)c(OC)c(OC)c1	853259945	XKUFDEOQNRDNAU-SNVBAGLBSA-N	322.361	1.855	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)/C=C/c1ccc(C)nc1	854386015	HSQKTWAGUXDCOE-MDZDMXLPSA-N	321.377	1.340	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCCc2nc(C)no2)nc1	759728690	GSGZXXFJLKZYOD-UHFFFAOYSA-N	319.321	1.026	50	20	DDGD	
CC(CCc1ccco1)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	920383486	FMOYBYNSOYCKIY-LLVKDONJSA-N	313.379	1.074	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC[C@@H]([C@H]2CCCCO2)C1	852598762	YQMDQDLLUNEHPW-ZIAGYGMSSA-N	311.426	1.071	50	20	DDGD	
Cc1cccc2c1O[C@H](C(=O)NNC(=S)N[C@H](C)C1CC1)C2	855095271	KEXIBWLPMBZSPB-MFKMUULPSA-N	319.430	1.592	50	20	DDGD	
CN(C)C1(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1	854196493	AYBDDZIBTWBTAS-UHFFFAOYSA-N	319.449	1.835	50	20	DDGD	
O=C(CCc1nc[nH]n1)NNc1ccc(Cl)cc1[N+](=O)[O-]	750609704	ICPGPJLWTXOGOR-UHFFFAOYSA-N	310.701	1.442	50	20	DDGD	
Cc1cc(C)n(CCC(=O)NNC(=O)c2cccc(Cl)n2)n1	857322533	DKUKXQPTQWTDRG-UHFFFAOYSA-N	321.768	1.400	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@@H]1CCCc2cccnc21	927382154	LTUUIRHTJZYULP-CYBMUJFWSA-N	318.377	1.216	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)c1	755854527	VDAPKCUAUWOTOJ-GFCCVEGCSA-N	304.394	1.870	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)NCC2CCC2)c2n[nH]cc2c1	855091356	MYLAVHGLVQGLEJ-UHFFFAOYSA-N	317.418	1.780	50	20	DDGD	
CC(=NNC(=O)[C@H](C)Oc1ccc(F)cc1)c1cnn(C)c1	920826662	GHFGWQWGCGDIBY-NSHDSACASA-N	304.325	1.867	50	20	DDGD	
CC(C)(C)OC(=O)CCC(=O)NNC(=O)c1cccc(F)n1	856426543	ADOJJBWXIIEPRV-UHFFFAOYSA-N	311.313	1.104	50	20	DDGD	
COc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)c2ccc[nH]2)c1	920288688	YUKDZYAMBIAJHE-UHFFFAOYSA-N	304.262	1.006	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)[C@@H]2[C@H]3CCCCCC[C@H]32)CC1	854381042	DHXMDKLBNKEOFP-WDNDVIMCSA-N	308.426	1.191	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cc(C2CC2)n(C)n1)C1CC1	855100435	BRVGHDZOINGHLR-QMMMGPOBSA-N	307.423	1.205	50	20	DDGD	
C[C@@]1(CNC(=O)NCCc2cn[nH]c2)C[C@@H]1Br	856859053	FIIBSWHQSHAJTG-ONGXEEELSA-N	301.188	1.425	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)Cn2cccn2)cc1	851709327	KMWWAVBVUCAXPA-UHFFFAOYSA-N	319.390	1.300	50	20	DDGD	
C[C@@]1(CNC(=O)COCC(F)(F)F)C[C@H]1Br	857398723	OWEXLFRYKJNNHN-SVRRBLITSA-N	304.106	1.855	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H]1SCCc2sccc21	854924410	JASYKSGOYWPJIX-SECBINFHSA-N	301.462	1.546	50	20	DDGD	
CCn1cc(CC(=O)NC[C@@]2(C)C[C@H]2Br)cn1	857391400	PLJSHQUGHXJDNZ-ZYHUDNBSSA-N	300.200	1.735	50	20	DDGD	
COc1cccc(NNC(=O)Cc2nn(C)c3ccccc23)n1	857482720	IQRYBYYSGJEGCU-UHFFFAOYSA-N	311.345	1.663	50	20	DDGD	
O=C1CCCCC[C@@H](C(=O)NNC(=O)OCC(F)(F)F)C1	856018513	BDKOXOGLIURPOU-MRVPVSSYSA-N	310.272	1.846	50	20	DDGD	
O=C(CO)NNC(=O)c1cccnc1SCC1CCCCC1	753436639	BDFMAVOYJZOZLV-UHFFFAOYSA-N	323.418	1.507	50	20	DDGD	
O=C1CC[C@H](C(=O)OC[C@@H](CBr)C2CC2)CN1	859509666	YLZXMBRNCJUTHZ-VHSXEESVSA-N	304.184	1.477	50	20	DDGD	
COc1ccc(F)cc1CC(=O)NNC(=O)OCC(F)(F)F	856022359	ACQCMSJQUQUYTR-UHFFFAOYSA-N	324.230	1.697	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CCO[C@H](C)C2)c1C	853946839	OFIPQCRGFUCGSQ-ZYHUDNBSSA-N	321.377	1.975	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@@H](C)CN2CCCC2)c1	858277233	CCWMKGZFYNXQFZ-GFCCVEGCSA-N	324.450	1.732	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)C(=O)NNC(=O)c1cccc(F)n1	856423668	APTXQRVBTUPZLH-SSDOTTSWSA-N	306.297	1.390	50	20	DDGD	
COc1ccc(NCC(=O)NN=Cc2cn(C)nc2C)cc1	755489856	YXLKMXRCJRBIRB-UHFFFAOYSA-N	301.350	1.299	50	20	DDGD	
Cc1ccc([C@@H](O)CNS(=O)(=O)CC(C)(C)CCl)o1	866865964	YURYKSOUVBUJLJ-JTQLQIEISA-N	309.815	1.806	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2csc(Cl)c2Cl)N1	863153211	PFJKRWDZRPRIAK-ZCFIWIBFSA-N	306.174	1.784	50	20	DDGD	
CCO[C@@H](C(=O)NNc1ccccc1S(C)(=O)=O)C1CC1	860196868	LOLQDJKFHKLQHY-CYBMUJFWSA-N	312.391	1.348	50	20	DDGD	
CC(C)N1CCN(S(=O)(=O)CC(C)(C)CCl)CC1=O	867072118	VMZFCZMSPMGPMB-UHFFFAOYSA-N	310.847	1.134	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1ccc(C)cc1Cl	768494091	IJZWARFZPHFIKO-UHFFFAOYSA-N	305.787	1.503	50	20	DDGD	
C[C@@H](NNC(=O)c1nn(C)c(=O)c2ccccc12)C(F)(F)F	862304484	PCOXHZDXPOXWKK-SSDOTTSWSA-N	314.267	1.119	50	20	DDGD	
O=C(CCc1cnn[nH]1)NNc1ccc(C(F)(F)F)cn1	867492854	DCYHYXWSYOZZGZ-UHFFFAOYSA-N	300.244	1.294	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H](CO)C(=O)NNc1ccccc1F	860313832	QNTOTSSJTQYCNJ-LLVKDONJSA-N	313.329	1.154	50	20	DDGD	
CCc1cccc2c1OCCC2=NNC(=O)[C@H]1CCC(=O)N1	863150627	XXWXSXYRLGUNDN-CYBMUJFWSA-N	301.346	1.130	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)CS(C)(=O)=O)c(Cl)c1	863184140	USOVMSBXODRASG-UHFFFAOYSA-N	318.782	1.233	50	20	DDGD	
O=C1NCC[C@]1(C(=O)NNc1ccnc(F)c1)C1CCCC1	860693802	GPOJXUSULIGNOC-HNNXBMFYSA-N	306.341	1.360	50	20	DDGD	
COc1cc(CC(=O)NN[C@H](C)C(F)(F)F)cc(OC)c1O	862318007	ORQYSURICVWHRU-SSDOTTSWSA-N	322.283	1.524	50	20	DDGD	
C[C@H](C=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1)CCC#N	766003198	SMCSFBINSDVGLJ-XGUBFFRZSA-N	308.426	1.774	50	20	DDGD	
COC(=O)c1cc(C(=O)NNC(=O)NCC2CC2)ccc1C	865016196	ZHDMGJDAROMROG-UHFFFAOYSA-N	305.334	1.136	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccn1)c1cn(C2CC2)nn1	861849924	OPHRKBYKHLZERQ-UHFFFAOYSA-N	312.255	1.784	50	20	DDGD	
O=C(NNC(=O)c1ccncc1C(F)(F)F)c1ccccn1	763875630	PELVIWNUURRNBT-UHFFFAOYSA-N	310.235	1.570	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NN=Cc1ccccc1O	779807523	BBDDRRDZHAXLIE-UHFFFAOYSA-N	307.350	1.757	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2cnc3n2CCC3)c1	873776562	JJHYTLRZJNXFNU-UHFFFAOYSA-N	315.402	1.769	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)c2cccc(C)n2)c1C1CC1	879829543	SLVKQNQATAHGKR-UHFFFAOYSA-N	313.361	1.559	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNC(=O)c1ccc(OC)c(OC)c1	770748187	XTMMWKIFZYJNDF-OAHLLOKOSA-N	310.350	1.016	50	20	DDGD	
O=C(C[C@@H]1CCCO1)NNc1ccnc(Br)c1	771547887	VUGRBQTYGMFLGJ-VIFPVBQESA-N	300.156	1.856	50	20	DDGD	
Cc1cc(NNC(=O)C2(C(=O)OC(C)(C)C)CCC2)ncn1	878856387	HBXIUKPEDHKPAM-UHFFFAOYSA-N	306.366	1.740	50	20	DDGD	
COCCO[C@@H]1C[C@@H](CO)CN(/C(=C\C#N)c2ccccc2)C1	773961219	GAZZIVCTGJMQOX-CZZHVOLSSA-N	316.401	1.897	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1nccnc1C(C)C)C1CCCC1	772892385	KPUOZGUPDNURBK-CQSZACIVSA-N	319.409	1.738	50	20	DDGD	
C[S@@](=O)c1cccc(C(=O)NNc2ccc(Cl)nn2)c1	771735603	QUUWEUOZHNMCDM-HXUWFJFHSA-N	310.766	1.624	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cc(OC)ccn1	777828852	TUUGXGDPGYTMII-UHFFFAOYSA-N	301.302	1.634	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)/C=C/[C@H]2CCOC2)cn1	874955508	RXWZCIPNEPQQNW-YWNRKNDBSA-N	322.390	1.001	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)NOC1CCOCC1	773358699	KDSLRMHZWZTGSE-UHFFFAOYSA-N	319.317	1.487	50	20	DDGD	
CCCCCn1nc(C)cc1NC(=O)NNC(=O)CN(C)C	775658919	ARUMSPLUJHIEPU-UHFFFAOYSA-N	310.402	1.096	50	20	DDGD	
C[C@@H](CBr)CN1CCN(C[C@H]2CCCO2)CC1	770645830	LNLLGNHKDWJYMM-QWHCGFSZSA-N	305.260	1.814	50	20	DDGD	
O=S(=O)(CCCCl)NCc1cccc(-n2cncn2)c1	881908641	UWAZGUBZCMUCRX-UHFFFAOYSA-N	314.798	1.316	50	20	DDGD	
CCCCN(CCOC)CC(=O)NNC(=O)c1cccc(C)c1	777583972	UINJBUMTIBFNSQ-UHFFFAOYSA-N	321.421	1.505	50	20	DDGD	
CCn1nc(C(=O)OC[C@@H](C)CBr)ccc1=O	770368036	IFUTWOPIVXVZDD-QMMMGPOBSA-N	303.156	1.451	50	20	DDGD	
O=C(/C=C\CN1CCOCC1)NNc1c(F)cc(F)cc1F	885153308	FLXFQFXSSQTSKY-UPHRSURJSA-N	315.295	1.435	50	20	DDGD	
O=S(=O)(CCCCl)N[C@H](CO)C[C@H](O)c1ccccc1	882014102	CXVHEDWZNIGBHM-STQMWFEESA-N	321.826	1.019	50	20	DDGD	
CC[C@@H]1C[C@H](CC(=O)NNC(=S)NCCSC)CCO1	781715741	NOTDZIIHFNZQBM-GHMZBOCLSA-N	319.496	1.440	50	20	DDGD	
CCCN1CC[C@H](CNC(=O)NNc2ccc(C#N)cn2)C1	887260260	NNYDAIYGEQNXCN-CYBMUJFWSA-N	302.382	1.311	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1CCO[C@@H](c2ccccc2)O1	887149056	HYFFPLWKKQIBRO-WMLDXEAASA-N	316.357	1.442	50	20	DDGD	
CC(=O)N1C[C@H]2[C@@H](NS(=O)(=O)CCCCl)CCC[C@H]2C1	882200294	AKWOZFPGVYIRSQ-XQQFMLRXSA-N	322.858	1.182	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1cccc(Br)c1O	785462294	AOLSEOZCXDMJFT-UHFFFAOYSA-N	301.140	1.376	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(F)cc1F)S(=O)(=O)C1CC1	786428339	YJEHWQJSRVTVSG-UHFFFAOYSA-N	318.345	1.764	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@]2(C)CCCOC2)c1	781104034	JUPNYFVFNSVRNP-MRXNPFEDSA-N	305.378	1.330	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(CC)c(C)c1	784916683	ARQBEHQNHCMFSR-UHFFFAOYSA-N	306.366	1.188	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)C(C)(C)c2ccccc2)no1	888867076	APAUSIZMZIUQMN-UHFFFAOYSA-N	301.346	1.976	50	20	DDGD	
CCn1cc(CC(=O)NNC(=O)c2c[nH]c3ccccc23)cn1	780197709	ISVSPWVJHANDBB-UHFFFAOYSA-N	311.345	1.388	50	20	DDGD	
C[C@@H]1CC[C@@H](C(F)(F)F)CN1CC(=O)NNC(=O)C(C)(C)C	780379797	PAYXUJJREZYHOK-NXEZZACHSA-N	323.359	1.843	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCN1CCC[C@@H]1C	897474543	VHCGZQQDVDGKMW-ZDUSSCGKSA-N	304.394	1.423	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@H]1CCC(=O)c2ccccc21	785723525	XAKWNLMNHXHYJQ-ZDUSSCGKSA-N	311.341	1.546	50	20	DDGD	
COc1ccc(C=NNC(=O)c2ccc(OC)c(OC)c2)cn1	780188483	KXWPJKSBOKDRHI-UHFFFAOYSA-N	315.329	1.871	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cc(Cl)ccn2)cn1	783605613	IFPXMOWYTJVAHD-UHFFFAOYSA-N	306.709	1.674	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)nc1	781525564	NDRWQUFRBSTDOP-UHFFFAOYSA-N	318.289	1.764	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc(F)c(S(C)(=O)=O)c1	785783478	GEWKPAWXGJBVQO-UHFFFAOYSA-N	316.354	1.036	50	20	DDGD	
CO[C@H](C(=O)NNc1ccccc1[N+](=O)[O-])c1cnn(C)c1	798823292	JFURPZUXIYNZCL-LBPRGKRZSA-N	305.294	1.159	50	20	DDGD	
CCC[C@H](C(=O)O[C@@H](C)C(=O)NNC(=O)CC)c1ccccn1	799534141	FWRVXPNVWWKXOC-RYUDHWBXSA-N	321.377	1.454	50	20	DDGD	
Cc1cc(CC(=O)NN=CCc2ccc([N+](=O)[O-])cc2)n[nH]1	792958452	HYGUOILNFVKXEC-UHFFFAOYSA-N	301.306	1.514	50	20	DDGD	
COc1ccc(CN2CC[C@@H](B(O)O)C2)cc1Br	585077805	YGRQMFWSAAKOCV-SNVBAGLBSA-N	313.988	1.506	50	20	DDGD	
OB(O)[C@@H]1CCN(Cc2ccc(Br)cc2F)C1	585077784	YFCUYQBHGSPALL-SECBINFHSA-N	301.952	1.637	50	20	DDGD	
O=C(Cc1ccccc1CO)NNc1cccc(F)c1[N+](=O)[O-]	791147635	FJVSSGLWQMUQSL-UHFFFAOYSA-N	319.292	1.912	50	20	DDGD	
O=C(NCC#Cc1ccccc1)NNc1nc2ccccn2n1	790136061	XADNOSSLFACEKX-UHFFFAOYSA-N	306.329	1.407	50	20	DDGD	
CN(CCC(=O)NNC(=O)NCc1ccco1)C1CCCCC1	791127949	LGOUDQRPPHZHKN-UHFFFAOYSA-N	322.409	1.765	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C[C@H]1C[C@H]2CC[C@H]1C2	790065122	JCEFWTIDDXRRMZ-RWMBFGLXSA-N	312.410	1.749	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(C)c1	794888551	JPZQNGVITGHGFU-CYBMUJFWSA-N	308.403	1.660	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1ncoc1[C@@H]1CCCO1	1321867130	NVRPYRGXJIXTJJ-ZETCQYMHSA-N	309.713	1.726	50	20	DDGD	
O=C(CCO)NNC(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F	1320718605	ALVQTFMHXRFEQO-JTQLQIEISA-N	323.246	1.142	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2cc(Cl)ccc2[N+](=O)[O-])CCN1	1324569812	SJALPHZZTHCDAH-ZETCQYMHSA-N	312.713	1.218	50	20	DDGD	
COc1cc(F)cc(NC(=O)NNC(=O)[C@H]2CCCCO2)c1	1324643087	BUPKMXZMDANIBG-GFCCVEGCSA-N	311.313	1.556	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCCOC)cc1CC	1320623334	LWMLEAVHRLSOLE-UHFFFAOYSA-N	307.394	1.792	50	20	DDGD	
Cc1nc(N(C)C)sc1C(=O)NNc1ncc(F)cc1F	1326731318	YBHHGEUVRHPFPD-UHFFFAOYSA-N	313.333	1.948	50	20	DDGD	
C[C@]1(CNC(=O)c2cnn3ccncc23)C[C@H]1Br	1329654797	RPOROLIRVNJNAO-ZYHUDNBSSA-N	309.167	1.633	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1[nH]ccc1-c1ccccc1	1328591633	MARUQAMWAKEQFI-YPMHNXCESA-N	313.357	1.868	50	20	DDGD	
C[C@@H](OCc1ccncc1)C(=O)NNC(=O)NC1CCCC1	1330305185	SVEAIQDEANIQLX-LLVKDONJSA-N	306.366	1.260	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H](C)N1[C@@H](C)CC[C@H]1C)C1CC1	1330878309	CCGKPYYDPLZERS-USZNOCQGSA-N	312.483	1.542	50	20	DDGD	
C[C@]1(NC(=O)NNc2ccc(OC(F)F)cc2)CCOC1=O	1348577617	QMQVUIFKUCQKTH-ZDUSSCGKSA-N	315.276	1.620	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@H](c1ccc(F)c(C)c1)C1CC1	1341215107	RRLZIPGSRRVCRG-LBPRGKRZSA-N	323.324	1.089	50	20	DDGD	
C/C(=C(\F)C(=O)NNC(=O)c1n[nH]c2c1CCCC2)C1CC1	1353876460	PUQWSZALCPROSU-XYOKQWHBSA-N	306.341	1.703	50	20	DDGD	
C[C@@H]1CCN(c2nnnn2C[C@@]2(C)C[C@H]2Br)C1	1352687967	SAOAUVXTVGECRQ-FXPVBKGRSA-N	300.204	1.693	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccc(C#N)cn2)cc1-c1nn[nH]n1	1605821642	WWSVUNNWCCZENM-UHFFFAOYSA-N	320.316	1.199	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1604146015	DMHCNOAIBPFTEN-LLVKDONJSA-N	324.772	1.778	50	20	DDGD	
O=C(NNc1ccccc1OC(F)(F)F)[C@H]1C[C@H]1C(=O)O	1608484517	WFIFEOQRMVBMHE-NKWVEPMBSA-N	304.224	1.749	50	20	DDGD	
O=C(O)C[C@@H](CNC(=O)NNc1ncc(F)cc1F)C1CC1	1601891435	KFKQSKGICGCFBC-QMMMGPOBSA-N	314.292	1.487	50	20	DDGD	
O=C(NCc1cccnc1O)NNc1ccc(C(=O)O)cc1F	1601541980	WSPDEVRKJDYXCG-UHFFFAOYSA-N	320.280	1.451	50	20	DDGD	
C[C@@H](CN1CCCCCC1)C(=O)NN=C1CC(CC(=O)O)C1	1604164716	FYFFUILBHZWPHU-UEWDXFNNSA-N	309.410	1.855	50	20	DDGD	
COc1cncc(C(=O)NNc2ncccc2C(=O)O)c1C	1604900256	GXOISNNUUXIGKJ-UHFFFAOYSA-N	302.290	1.249	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)N[C@@H]2CCC[C@@H]2CCO)cc1	1602127055	DKNYBDBHESZLEX-TZMCWYRMSA-N	321.377	1.491	50	20	DDGD	
N#C/C(=C\c1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CCCOC1	1606335572	ASJMOVWNBJSDCB-JGWKKKPCSA-N	309.329	1.769	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2CC23CCSCC3)nc1	1610835562	NXOALYDRDGMYEG-SNVBAGLBSA-N	307.375	1.756	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2ccnc(N)c2)c(C)c1	1579724351	VJTHSUKPKOYMLB-UHFFFAOYSA-N	315.402	1.912	50	20	DDGD	
Cn1nc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)cc1N	1579989443	FBVKMDVYQYNZOO-UHFFFAOYSA-N	324.266	1.650	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)CC(C)(C)CN)c1	1579706237	MBWOSSPVAINFNM-UHFFFAOYSA-N	312.414	1.827	50	20	DDGD	
CC[C@@H](C)Oc1ccc(C(=O)NNC(=O)[C@@H]2CCCNC2)cc1	1577003763	NZRQMEWDQYRVEY-TZMCWYRMSA-N	319.405	1.625	50	20	DDGD	
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1	1589197570	HGBIYNHAYSEKAG-VXGBXAGGSA-N	316.365	1.513	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)CCOC)C2	1841667916	XHXGZLRQRBBMCD-LBPRGKRZSA-N	316.829	1.634	50	20	DDGD	
N[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1Cl)C1CCC1	1580115268	QNRITPRNAHYFPW-LLVKDONJSA-N	316.188	1.882	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCCO1)c1ccccc1-c1nn[nH]n1	1588773154	ULEHGLKEIWUWQQ-CYBMUJFWSA-N	314.349	1.276	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1	1593157479	BZLIKIMPVKVRBK-UHFFFAOYSA-N	321.728	1.083	50	20	DDGD	
CCOc1ccc(C(=O)NNc2ccccc2C(=O)O)cn1	1597062457	MJCAHNCOIPFCPK-UHFFFAOYSA-N	301.302	1.935	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=C2CCCS(=O)(=O)CC2)cc1	1776101182	UXOUAZLNHHVNFO-UHFFFAOYSA-N	324.358	1.069	50	20	DDGD	
COCCOCC(=O)NN=Cc1sc(Cl)cc1C(=O)O	1776098061	USEGTFIUTVIMRL-UHFFFAOYSA-N	320.754	1.213	50	20	DDGD	
C[C@H](Oc1ccc(C=NNC(=O)c2ccnnc2)cc1)C(=O)O	1776081650	YMSTZLFLKLSOLY-JTQLQIEISA-N	314.301	1.092	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@@H]1F)[C@@H](F)Cl	1793910296	DZTCOUHYTJDKAS-FKSVDQQFSA-N	306.740	1.517	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cccnc2)c1C	18102799	GSZJDOJMVJMYCV-ZDUSSCGKSA-N	313.357	1.927	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)cc1F)NNc1ccncc1	162349518	VLIDPAZSSLLSGR-UHFFFAOYSA-N	306.272	1.233	50	20	DDGD	
O=C(CN1C[C@H]2CCC[C@H]2C1)NNC(=O)c1ccc(F)cc1	153239603	KXVMEGVFXWMYFJ-BETUJISGSA-N	305.353	1.319	50	20	DDGD	
COc1ccc(NNC(=O)Cc2cc3ccccc3[nH]c2=O)nc1	159077573	LNZKCQISTXLXHB-UHFFFAOYSA-N	324.340	1.618	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NC[C@]1(C)C[C@@H]1Br	857401886	MVVNHMCSMQQVQU-UFBFGSQYSA-N	321.215	1.801	50	20	DDGD	
C[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)CCCCl	882077598	GCAMLDSQRZYAMY-SECBINFHSA-N	314.835	1.448	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1	486880	GELYJAIOXUYTLD-QWHCGFSZSA-N	320.345	1.347	50	20	DDGD	
O=C(CCCOc1ccccc1)NNC(=O)Cc1cccnc1	103424921	SAYGDOUBWGZXGG-UHFFFAOYSA-N	313.357	1.631	50	20	DDGD	
CC(C)c1cccc(O[C@@H](C)C(=O)NNC(=O)[C@@H]2CCCO2)c1	58248701	BJTFUNSXFDUVHV-WFASDCNBSA-N	320.389	1.904	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H]2CCCO2)oc2c(C)cccc12	53508675	VCPXDUNUPHIBKM-LBPRGKRZSA-N	302.330	1.990	50	20	DDGD	
CCOCCCNC(=O)NNC(=O)CCc1ccc(OC)cc1	56545414	IJVVFPYKRMEAFZ-UHFFFAOYSA-N	323.393	1.385	50	20	DDGD	
C[C@H](NC=C(C#N)C#N)c1ccc(S(=O)(=O)N(C)C)cc1	55010607	YAPYKSPARJOUGG-NSHDSACASA-N	304.375	1.519	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccc(C(F)(F)F)nc1	103425049	OKTDZSCAUYNARI-UHFFFAOYSA-N	324.262	1.499	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Nc2nc(C)c(C)o2)c1	65773418	LMDSDQDTBZWXGB-UHFFFAOYSA-N	318.333	1.832	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCc1ccccc1Cl	109859070	PWAZKOOJYZOUQO-UHFFFAOYSA-N	306.753	1.765	50	20	DDGD	
Cn1c(=O)[nH]c2cc(C(=O)NNC(=O)CC(C)(C)C)ccc21	103195912	WOZBYBXFOQRHSB-UHFFFAOYSA-N	304.350	1.064	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1csc([N+](=O)[O-])c1	172644184	KXZQFFQVPDTNMQ-UHFFFAOYSA-N	305.279	1.080	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CNc1ccccc1)N1CCCCCC1	175103401	CQPANACIQZUMPT-CQSZACIVSA-N	318.421	1.510	50	20	DDGD	
O=C(NNC(=O)[C@H]1Cc2ccccc2O1)c1c[nH]c2ccccc12	29634437	YNBMHHXXRVMIOB-MRXNPFEDSA-N	321.336	1.933	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@H](C)C(=O)NNC(=O)OC(C)(C)C	172927837	MSDDMQLIKWLIIU-VIFPVBQESA-N	310.398	1.771	50	20	DDGD	
CSCC[C@H](O)C(=O)NNc1cncc(Br)c1	1344114082	VHCLLFWCYXXNOD-VIFPVBQESA-N	320.212	1.401	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNC(=O)COc2cccc(C)c2)c1	28581207	XHPRNTAXDWIDIB-UHFFFAOYSA-N	315.329	1.366	50	20	DDGD	
CC(C)c1noc(CCNC(=O)NNC(=O)c2ccccc2)n1	69044294	IQTVPLCQDAWUDQ-UHFFFAOYSA-N	317.349	1.380	50	20	DDGD	
O=S(=O)(NC[C@@H]1CCCN1)c1ccc(CCCCl)cc1	178916745	ULVPZERHRLZZON-ZDUSSCGKSA-N	316.854	1.888	50	20	DDGD	
CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)c1cnn(C)c1	172226499	WRNXVYIPKPMWCV-JSGCOSHPSA-N	321.425	1.969	50	20	DDGD	
CCOC(=O)NNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21	65834522	LCYPOIPCTUHIRT-UHFFFAOYSA-N	306.278	1.327	50	20	DDGD	
COc1ccsc1C(=O)NNC(=O)Cc1ccccc1F	66774688	YKYPJHAAMXEHAU-UHFFFAOYSA-N	308.334	1.900	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(c2nc(CC)ns2)CC1	178969907	YUNDHNKQOMDQNT-ZHACJKMWSA-N	321.406	1.193	50	20	DDGD	
O=C(NC[C@@H]1CCCO1)NNC(=O)c1cccc2cccnc12	65147266	WKYZQAXBOFVIBU-LBPRGKRZSA-N	314.345	1.358	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2cccc(CO)c2)n1	171712344	ZFGJIJYYJSLUNV-UHFFFAOYSA-N	301.350	1.412	50	20	DDGD	
CC[C@H](C)[C@@H](C(=O)NNC(=O)N1CCOCC1)c1ccccc1	172284096	ZIWVVNGKVMBWQC-DZGCQCFKSA-N	319.405	1.889	50	20	DDGD	
CC(C)[C@H](NC(=O)c1cccs1)C(=O)NNc1ncccn1	123985869	VCOWWTCTAINXQG-NSHDSACASA-N	319.390	1.436	50	20	DDGD	
O=C(CCCn1cncn1)NNc1ccc([N+](=O)[O-])cc1Cl	125369590	SILXXOGEIYXJGD-UHFFFAOYSA-N	324.728	1.763	50	20	DDGD	
CCc1nc(NC(=O)NNc2nccnc2OC)sc1C	184410197	VNIIOOAANWUOFB-UHFFFAOYSA-N	308.367	1.961	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCCSCCCO	185846980	JOARZKUZAUDKAN-RAXLEYEMSA-N	306.387	1.531	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1c(F)ccc(F)c1F	185914116	BNNXAVUOQZKLFY-UHFFFAOYSA-N	323.365	1.576	50	20	DDGD	
CC(C)N1CCC(C(=O)NNC(=O)Cc2ccccc2F)CC1	73495387	WVHMGKUMMKXOGK-UHFFFAOYSA-N	321.396	1.636	50	20	DDGD	
O=C(CCC(=O)c1ccc(F)cc1)NNC(=O)[C@H]1CCCO1	32262794	WDOJDHPHBKFHAH-CYBMUJFWSA-N	308.309	1.115	50	20	DDGD	
N#Cc1cccc(CNC(=O)NNc2cncc(Cl)n2)c1	125411496	JAZZTZGJJSDIMK-UHFFFAOYSA-N	302.725	1.828	50	20	DDGD	
O=C(NNc1cccc(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	120944074	QSVRZUFYALBFHF-UHFFFAOYSA-N	318.264	1.816	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2cncc(Cl)n2)c1	128277146	MJPCRYHFJVODKS-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
CN(C)c1ccccc1NC(=O)NNC(=O)c1cccn1C	183548872	BVLNFNSHXYHYFX-UHFFFAOYSA-N	301.350	1.558	50	20	DDGD	
NNC(=O)CCCCCn1c(S)nc2ccccc2c1=O	192713837	DAZZYRLIDMBVOD-UHFFFAOYSA-N	306.391	1.236	50	20	DDGD	
Cc1ccnc(NNC(=O)COc2ccc([N+](=O)[O-])cc2)c1	88424912	MRNGPLOSOZERBH-UHFFFAOYSA-N	302.290	1.820	50	20	DDGD	
COc1ccncc1NC(=O)C(=O)NNc1cc(C)ccc1F	190473107	ZPXGSIULCSRPFY-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1sc(C)nc1C	94121501	VXDDCRXSRKZLDM-UHFFFAOYSA-N	304.466	1.232	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@@H]1CCCc2ccc(F)cc21	91231000	UURXQJINWWEMNG-KGLIPLIRSA-N	321.352	1.713	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@H]21	246409790	QPLCMEUDHCIFGZ-NWANDNLSSA-N	303.362	1.082	50	20	DDGD	
COc1ccccc1/C(C)=C\C(=O)NNC(=O)c1cccnc1	255518066	KPCIPMISRLKUGD-BENRWUELSA-N	311.341	1.955	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1	255339474	UMXFONSFZOUORX-UYMCOASYSA-N	309.410	1.434	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCn3cnnc3C2)cc1	264302180	VJJDLSLXXNISAD-NTEUORMPSA-N	323.356	1.626	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)Oc2ccc([N+](=O)[O-])cc2OC)C1	269521668	SDAUAAUHZIFKIC-SNVBAGLBSA-N	322.317	1.767	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2cc(C)n[nH]2)c(C)c1	268881190	WKCYZRNIMUVWSP-UHFFFAOYSA-N	318.402	1.888	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1c[nH]nc1-c1ccccc1F	268013473	AEKKNFDEGVCXLO-UHFFFAOYSA-N	302.309	1.777	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)NNc1cnccn1	277003544	DEVZGYBSIUQFMV-UWVGGRQHSA-N	309.370	1.469	50	20	DDGD	
CC[C@H](C)CC(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	276722706	SRRGTUXNEQDJLA-JTQLQIEISA-N	324.377	1.910	50	20	DDGD	
CSSCCNC(=O)N1CCOC2(CCOCC2)CC1	367568538	YWZVXNBFPOEGBP-UHFFFAOYSA-N	320.480	1.979	50	20	DDGD	
CC[C@@H]1CN(C(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)C[C@@H]1O	270603285	YTEOJOUZQUJREI-IOPXHQSKSA-N	312.373	1.341	50	20	DDGD	
CCNC(=O)c1ccc(NC(=O)NNC(=O)OC(C)(C)C)cc1	272408551	YLDPOTNCWFLIOJ-UHFFFAOYSA-N	322.365	1.998	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNC(=S)Nc1ccc(C)cc1C	270478697	PGMCXRWEXAFDSZ-JTQLQIEISA-N	324.406	1.366	50	20	DDGD	
COC[C@@H](NC(=O)NNc1cccc([N+](=O)[O-])c1)[C@H]1CCCO1	279766742	SEYKMZJNPCVJGJ-CHWSQXEVSA-N	324.337	1.415	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccnc1SC(F)(F)F	271245447	CEYZKGKURQTXDG-UHFFFAOYSA-N	322.312	2.000	50	20	DDGD	
COCCCOc1ccccc1NC(=O)NNC(=O)C1CC1	273160632	BHHAWVJUUXQGBV-UHFFFAOYSA-N	307.350	1.665	50	20	DDGD	
CCC1(C(=O)NNC(=O)c2ccc(C)cc2O)CCOCC1	272538977	BUDHNIDGIXEQLL-UHFFFAOYSA-N	306.362	1.668	50	20	DDGD	
CN1C[C@@H](C(=O)NNc2cccc(F)n2)c2ccccc2C1=O	376195872	DOOIITATGFZLNK-GFCCVEGCSA-N	314.320	1.533	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@H]1CCCc2cn(CCOC)nc21	373387206	ZOELDTKKWSGEOD-UELRPHRMSA-N	318.377	1.467	50	20	DDGD	
C[S@](=O)C1(CNC(=O)NNc2ccc(Cl)nc2)CCC1	280729119	ILELOGULKPQJFC-FQEVSTJZSA-N	316.814	1.662	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNc1cccc(S(C)(=O)=O)c1	281922080	AGVCLLXDUIGPKT-CWSCBRNRSA-N	312.391	1.347	50	20	DDGD	
Cn1ncc2c1C[C@H](C(=O)NNC(=O)CC1CCCC1)CC2	281873376	CJXYJSITTYTRDQ-GFCCVEGCSA-N	304.394	1.253	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)C2CCC2)cc(OC)c1C	297103946	PTYBWFLXCRDOQE-UHFFFAOYSA-N	307.350	1.965	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)CNc1ccc(C)cc1C	295447026	PVDNMIRBUSCBEL-CQSZACIVSA-N	307.394	1.678	50	20	DDGD	
O=C(NNc1nnc[nH]1)[C@H]1CCCN1Cc1ccc(F)cc1	293931708	NOCYZQCASZCTTN-GFCCVEGCSA-N	304.329	1.052	50	20	DDGD	
COC(=O)c1ccc(CC(=O)NNC(=O)OC(C)(C)C)cc1	294395682	PAIQVZNTOZDTFV-UHFFFAOYSA-N	308.334	1.572	50	20	DDGD	
CCc1nc(C(C)C)ccc1C(=O)NNC(=O)NCCCOC	293685434	AXLQNILXUAGXKO-UHFFFAOYSA-N	322.409	1.748	50	20	DDGD	
Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NNC(=O)C1CC1	290131169	ZNZGPBWOWOAVQE-UHFFFAOYSA-N	324.690	1.421	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(OCCC)cc1OC	294380236	NXLQFEAGTIARCQ-UHFFFAOYSA-N	323.418	1.779	50	20	DDGD	
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NNC(C)=O	294263277	QTMDSWSFBNCOBU-XHDPSFHLSA-N	317.389	1.153	50	20	DDGD	
COC(=O)N(C)NC(=O)/C=C/c1ccc(OCCN(C)C)cc1	804124427	VVZNXLTZSSFUSC-JXMROGBWSA-N	321.377	1.370	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc(F)c(F)cc2F)O1	294223726	MIHPQCMDQCXIRK-KGFZYKRKSA-N	302.252	1.432	50	20	DDGD	
COCCOCc1ccc(C(=O)NNc2ncncc2F)cc1	294089965	RFVQLHHWYUQGND-UHFFFAOYSA-N	320.324	1.536	50	20	DDGD	
O=C(CCc1nc(C2CCCC2)no1)NNc1ncncc1F	293910248	GHQOLXKWJQSJLZ-UHFFFAOYSA-N	320.328	1.732	50	20	DDGD	
CN(NC(=O)c1cnn(C)c1-n1cccc1)C(=O)OC(C)(C)C	297672697	NVRGKTYLURSKBA-UHFFFAOYSA-N	319.365	1.723	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)O1	294347271	UJQGCDUSEOASRA-HJIKLVIJSA-N	324.764	1.358	50	20	DDGD	
COc1ccc([C@H](C)NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	297112866	GOVBCCNERXXJFN-MJVIPROJSA-N	321.377	1.654	50	20	DDGD	
COCC[C@H]1COCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	292038475	AFUINHREQYNWKO-LTBFUDJGSA-N	316.357	1.563	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNC(=O)N=c1cc[nH]cc1	802031901	NYJQUAYACFRGBE-UHFFFAOYSA-N	315.333	1.072	50	20	DDGD	
Cn1cncc1C(=O)NNC(=O)c1cc2ccccc2cc1O	809558783	BNRXIAWQKSMTTF-UHFFFAOYSA-N	310.313	1.354	50	20	DDGD	
O=C(CCC1CCCC1)NCC(=O)NNc1ncncc1F	293844082	BIWBORHQYAVRLW-UHFFFAOYSA-N	309.345	1.145	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)[C@H]1CCCCO1)c1ccc(C#N)cc1	296515902	ZQOXMIMZWUXJBE-BXUZGUMPSA-N	316.361	1.519	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1c[nH]c(C(F)(F)F)c1	295285579	CYBQLOUXOQRXBZ-MRVPVSSYSA-N	305.256	1.364	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H]1C1CC1)Nc1ccc2c(c1)OCO2	802096817	GPAURVPKTHCRHW-MNOVXSKESA-N	303.318	1.614	50	20	DDGD	
Cn1cc([C@H]2OCC[C@@H]2C(=O)NNc2cccc(Cl)n2)cn1	293706417	NVYGFBVSRNKWEU-GXFFZTMASA-N	321.768	1.689	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1nc(C(F)(F)F)cs1	801630031	JXLHOYVNHLVTAA-UHFFFAOYSA-N	324.328	1.911	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)Cc2cc[nH]n2)[C@H](C)C1	814955852	AOITYQMTBVKGPA-GHMZBOCLSA-N	306.366	1.424	50	20	DDGD	
CN(C)N(C(=O)C1(F)CCCCC1)[C@H]1CCS(=O)(=O)C1	812836529	KOFBVJDLZPDORQ-NSHDSACASA-N	306.403	1.151	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@H]1CCCCCC(=O)C1	813505763	YVEFQZDJSIMRJJ-JTQLQIEISA-N	317.480	1.384	50	20	DDGD	
O=C(NN=C1CCN2CCC[C@@H]12)Nc1ccc2c(c1)OCO2	814994318	VTCPCPNLLGEORJ-LBPRGKRZSA-N	302.334	1.761	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)CCc2ccccc2O)on1	814840417	KOHCKGBNLKSTNX-UHFFFAOYSA-N	317.301	1.250	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccc(Oc2ccccc2)nc1	816770893	PVJUUOCXTSIRJP-UHFFFAOYSA-N	310.317	1.759	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)COc2ccc(CO)cc2)n1	816837097	KBKCLOKTDGKDII-UHFFFAOYSA-N	302.334	1.108	50	20	DDGD	
CC1(C)CC(=NNC(=O)N2CCOCC2)c2ccc(O)cc2O1	814820748	BDCOXXCNMJRMEU-UHFFFAOYSA-N	319.361	1.699	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1ccnc(OCc2ccccc2)c1	816633060	LRKBVOYZFVUPDZ-UHFFFAOYSA-N	310.317	1.536	50	20	DDGD	
O=C(NNC(=O)c1ncoc1C1CC1)c1ccc2c(c1)OCO2	814715469	XCZLVTLFJPPHQM-UHFFFAOYSA-N	315.285	1.356	50	20	DDGD	
N#CCCCC(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1	812616827	QVOYIWFEUVBCNG-UHFFFAOYSA-N	323.736	1.338	50	20	DDGD	
CC(C)N(C)C[C@H](C)NC(=O)NNc1nc2ccccn2n1	812512303	FOWGDZUQKRPDRB-NSHDSACASA-N	305.386	1.084	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)CCc2c(C)nc(O)nc2O)c1	818031973	BAPMQLJVBBGTRK-UHFFFAOYSA-N	316.361	1.889	50	20	DDGD	
NC(=O)C(=O)NN=C(Cc1c(F)cccc1Cl)c1ccoc1	814696913	QXFWISRSWNJXRM-UHFFFAOYSA-N	323.711	1.620	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1ccc(Br)s1	814957444	GJWFDNAUOCISPX-UHFFFAOYSA-N	313.180	1.927	50	20	DDGD	
O=C(NNc1ncncc1F)c1cncnc1-c1ccccc1	817078222	VTMNOADBLMLURB-UHFFFAOYSA-N	310.292	1.830	50	20	DDGD	
C[C@H]1CCCC[C@H]1NC(=S)NNC(=O)N=c1cc[nH]cc1	726872105	UZJFACIWWUUWMJ-CMPLNLGQSA-N	307.423	1.583	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCN(c3ccncc3)CC2)cn1	822234240	JWTKZOZMQVJDIZ-XNTDXEJSSA-N	322.372	1.071	50	20	DDGD	
O=C(NNc1ccc(F)cc1)c1cc(-c2nn[nH]n2)cs1	823280788	GGFCKWOHCSJCES-UHFFFAOYSA-N	304.310	1.824	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCC[C@@H]1c1ccccc1	822232508	MLQYMNUEJONXFH-ZIAGYGMSSA-N	317.389	1.242	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@H]1COc2ccccc2O1	726137380	GDRNEXYDSFEKTH-NSHDSACASA-N	309.391	1.120	50	20	DDGD	
CC[C@@H](C)CCNC(=O)NNc1nc(O)c2cnn(C)c2n1	820872419	CIKUYIDACNNAMK-MRVPVSSYSA-N	307.358	1.131	50	20	DDGD	
CC(CCCCNC(=O)OC(C)(C)C)=NNC(=O)C(C)(C)O	497217839	GBEZDSUEJZMTTN-UHFFFAOYSA-N	315.414	1.944	50	20	DDGD	
O=C(/C=C\c1ccsc1)NNc1ccc(-n2ccnc2)nn1	493835166	ILARATXPIYROIN-RJRFIUFISA-N	312.358	1.880	50	20	DDGD	
COC(=O)N1CCC(CNC(=O)NCCSSC)CC1	496834437	LISDETZUZTVJTC-UHFFFAOYSA-N	321.468	1.775	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC=C(c2ccccc2)C1	829542475	PHDZHEMPLFIWJR-UHFFFAOYSA-N	301.390	1.579	50	20	DDGD	
CCc1cccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1O	825717172	IFFBQQZOYZTKIP-UHFFFAOYSA-N	324.344	1.892	50	20	DDGD	
COC(=O)[C@@H](CNC(=O)/C(C#N)=C\c1cnn(C)c1)CC1CC1	491129524	GVMFXEPWSPUCLY-CNTYAEFGSA-N	316.361	1.033	50	20	DDGD	
Cc1cccc2sc(NNC(=O)CN3CCCC3=O)nc12	828367443	OLQBHYNRKWGLBI-UHFFFAOYSA-N	304.375	1.670	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)C1)c1cccc(OC(F)F)c1	728434311	HGCITISYIOORQC-UHFFFAOYSA-N	318.301	1.192	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H]1C[C@H]1c1cc(OC)ccc1OC	492751244	XKXCLNYVHCFAIN-CMPLNLGQSA-N	308.334	1.585	50	20	DDGD	
C[C@H](NC(=O)CC(C)(C)C)C(=O)NNC(=O)OC(C)(C)C	495528668	LDSHOEUWABDDDG-VIFPVBQESA-N	301.387	1.483	50	20	DDGD	
C[C@@H](c1nc(-c2ccc(B(O)O)cc2)no1)N1CCCCCC1	585053345	DUCVAUBRLXYKFF-LBPRGKRZSA-N	315.182	1.353	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCOC1)c1ccnn1CC1CCC1	901254390	KXRZYQLLHUYAAY-CQSZACIVSA-N	304.394	1.950	50	20	DDGD	
CC[C@H](C)N1CCN(C(=O)/C(C#N)=C/c2cnn(C)c2)CC1	491163252	VTQQEOJDXSYMCB-NCPSJORJSA-N	301.394	1.270	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NN=Cc1ccccc1	491442246	ZQHXQOPTZIQQPB-UHFFFAOYSA-N	306.366	1.844	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3c[nH]nc3C)n[nH]2)o1	732084722	ZFOBNMSKEVGQDG-UHFFFAOYSA-N	314.305	1.084	50	20	DDGD	
COC(=O)c1cn(CC(=O)NN(C)C(=O)OC)c2ccccc12	495628991	MYICHCWVTCPEHU-UHFFFAOYSA-N	319.317	1.157	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1ccccn1)c1cccc(F)c1	736064948	YFQRWFSPJFJRKU-UHFFFAOYSA-N	301.321	1.960	50	20	DDGD	
CCn1cnnc1CCNC(=O)[C@]1(C)C[C@@H]1Br	906615512	REVUVSKDYRRRFK-GZMMTYOYSA-N	301.188	1.130	50	20	DDGD	
C[C@]1(C(=O)N2CC[C@H](N3CCCC3)C2)C[C@@H]1Br	906524678	XZZCPWDIEARVTO-GVXVVHGQSA-N	301.228	1.857	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1CCO[C@H](c2ccccc2)C1	585037355	ZVJSBHAVTAKUOH-AEFFLSMTSA-N	311.190	1.376	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1	490754576	SVPUHLISSHLRAR-LLVKDONJSA-N	319.361	1.595	50	20	DDGD	
CCc1ncc(C=NNC(=O)CNC(=O)OC(C)(C)C)cn1	497127216	HZHMGKLYQLNUDE-UHFFFAOYSA-N	307.354	1.014	50	20	DDGD	
CCC(=NNC(=O)c1cnn(C)c1)c1ccc(OC)c(OC)c1	735412223	RQRGZVSEIBSTSK-UHFFFAOYSA-N	316.361	1.981	50	20	DDGD	
CCOC(=O)CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	836458534	YYSYFWUSBOYRCP-UHFFFAOYSA-N	308.378	1.303	50	20	DDGD	
CCN(CC)C(=O)CCC1CCN(S(=O)(=O)CCl)CC1	831075141	BJQUCXFJUOIWDB-UHFFFAOYSA-N	324.874	1.873	50	20	DDGD	
COC[C@@H]1CCCCN1CC(=O)NNC(=O)c1cccc(C)c1	832615790	DLFGICCWICSWMF-HNNXBMFYSA-N	319.405	1.257	50	20	DDGD	
CCOc1ccc2c(c1)C(=NNC(=O)c1ncon1)CCO2	901285127	FQGUODZEOOZPLA-UHFFFAOYSA-N	302.290	1.385	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@]2(C)CCCOC2)c(F)c1	837206529	DJKWSXNBPSETSU-HNNXBMFYSA-N	310.325	1.872	50	20	DDGD	
O=C1CCC(=NNC(=O)Nc2ccc(C(=O)O)cc2)CCN1	834960329	MHQHFVUFAQCAQX-UHFFFAOYSA-N	304.306	1.162	50	20	DDGD	
C=CCOCCNC(=O)NNc1ccc(F)c(C(=O)OC)c1	838543323	XKIUZFCMOFDZTR-UHFFFAOYSA-N	311.313	1.441	50	20	DDGD	
O=C(NC1(c2ccccc2)CCCC1)c1ccc(B(O)O)cc1	584947079	FYPDMNOQZZRSGX-UHFFFAOYSA-N	309.174	1.566	50	20	DDGD	
C[C@@H](COc1ccccc1)C(=O)NNc1ccc(C(=O)O)cn1	833518715	JDQPNILREPXWKS-NSHDSACASA-N	315.329	1.938	50	20	DDGD	
CC(C)[C@@H](CO)[C@H](NCC(=O)NNC(=O)C(C)(C)C)C(C)C	831664022	OIXLXVIUIRVRRS-TZMCWYRMSA-N	315.458	1.059	50	20	DDGD	
CN(CC(=O)NNC(=O)C1CCC1)c1nc2ccccc2s1	732291622	BUPLBZOICUBWRY-UHFFFAOYSA-N	318.402	1.680	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1cnc2ccsc2c1	739410154	QCVFABVSQLIYFA-UHFFFAOYSA-N	316.386	1.759	50	20	DDGD	
CC1(C)CC(=NNC(=O)CN2CCCC2=O)c2ccoc2C1	731486586	PBYUHIXVNDRMAC-UHFFFAOYSA-N	303.362	1.695	50	20	DDGD	
O=[N+]([O-])c1ccc(OC2CN(S(=O)(=O)CCl)C2)cc1	831223267	NTLPMJYJCBKTGH-UHFFFAOYSA-N	306.727	1.184	50	20	DDGD	
Cc1cc(C(N)=O)ccc1NC(=O)NNC(=O)OC(C)(C)C	916633943	SIAJVMHAUTZYKG-UHFFFAOYSA-N	308.338	1.655	50	20	DDGD	
O=C(NNc1cccc(Br)n1)N[C@@H]1CCSC1	838498193	WJQHRMVLDLUHBM-SSDOTTSWSA-N	317.212	1.976	50	20	DDGD	
C[C@H](N)C[C@@H](C)NC(=O)NNC(=O)c1cc2ccccc2o1	831212630	SBOVNNZQCJWWPM-VHSXEESVSA-N	304.350	1.503	50	20	DDGD	
CC[C@H](Cc1ccccc1)C(=O)NNC(=O)N1CCOCC1	732755445	WZCPZYDOFSOOJY-CQSZACIVSA-N	305.378	1.328	50	20	DDGD	
CCOC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)CCl	830172902	MHBCRYJFZMTKJS-LLVKDONJSA-N	305.783	1.277	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C[C@H]1CSc2ccccc2O1	832912690	GMWHNLVQVKQKEA-NSHDSACASA-N	306.387	1.877	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1c(C)cccc1Cl	837765920	HTHHTDWMGYFBJW-VIFPVBQESA-N	312.753	1.751	50	20	DDGD	
C[C@H]1CC[C@H](C)N1CC(=O)NNC(=O)NCCc1cccs1	746166905	KNRWWGXQELQSFI-RYUDHWBXSA-N	324.450	1.494	50	20	DDGD	
NC(=O)c1c[nH]c(C(=O)NNc2ccc(OC(F)F)cc2)c1	748654588	WQPXBAXYIGCXQF-UHFFFAOYSA-N	310.260	1.472	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@H]1COc2ccccc2C1	918077380	YGZVCCUFZNFVNF-SECBINFHSA-N	317.267	1.273	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C(C)C)cnn1Cc1ccccc1	916133060	PYEPIJSXOMFACI-UHFFFAOYSA-N	300.362	1.657	50	20	DDGD	
O=S(=O)(CCl)NC[C@H](OC1CCCC1)C(F)(F)F	849426703	WNYUJPDRIVFZQK-QMMMGPOBSA-N	309.737	1.992	50	20	DDGD	
CC(C[C@H]1CCCC(=O)N1)=NNC(=O)c1ccc(C)cc1O	841617936	AOXRBVKLZFHPBO-GFCCVEGCSA-N	303.362	1.865	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CSC(F)F)cc1	846376845	HUSIALCSHCWQFD-UHFFFAOYSA-N	304.318	1.801	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1	748126438	QHSPODWUJPUVQL-UHFFFAOYSA-N	323.356	1.879	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@@H]1CCCS(=O)(=O)C1	846155529	QNKXEBKFHJECQK-LLVKDONJSA-N	324.406	1.012	50	20	DDGD	
Cc1ccc(NC(=O)NN)cc1S(=O)(=O)NC(C)(C)C	841122854	LQVBRCRVIBLDHN-UHFFFAOYSA-N	300.384	1.067	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)N[C@H]3CCNC3)cc2C1	841938573	FYIVNGGTSQSGKU-KOLCDFICSA-N	322.434	1.179	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NC1CC2(CCC2)C1	845725541	ZLUSVKFDPKQXEV-UHFFFAOYSA-N	317.389	1.901	50	20	DDGD	
C[C@]1(C(=O)NCc2cnc(Cl)cn2)C[C@H]1Br	910029906	HRRYUSXKNJNDJS-XCBNKYQSSA-N	304.575	1.920	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)N[C@H]1CCN(C2CC2)C1	746766335	OSGCPZPQGZLPGL-QMMMGPOBSA-N	314.311	1.967	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C	918415844	QKZYMOIHSLSJLC-AWEZNQCLSA-N	303.362	1.765	50	20	DDGD	
CC(=NNC(=O)N(C)C)c1cccc(OCC(=O)N(C)C)c1	745602097	CXAUMETZXROFQY-UHFFFAOYSA-N	306.366	1.149	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(C)c1	842587092	VUYFGIVNSRGWEQ-RYUDHWBXSA-N	312.391	1.038	50	20	DDGD	
O=C(NCc1ccon1)NNC(=O)c1cc2ccccc2o1	749578363	BEAGFQQCPHWBDC-UHFFFAOYSA-N	300.274	1.565	50	20	DDGD	
COc1cccc(COCC(=O)NNc2nc(C)cc(C)n2)c1	915639756	QOIOEPWIRVFASY-UHFFFAOYSA-N	316.361	1.762	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cnn1CC(C)C	843980354	UDZJBTJARMHJHE-NWDGAFQWSA-N	308.382	1.034	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2CC[C@@H]3CNC[C@H]3C2)n1	842014946	JSCLPQSZNSNOLF-JHJVBQTASA-N	304.398	1.108	50	20	DDGD	
Cc1c(NNC(=O)CN(C)C(=O)C2CC2)cccc1[N+](=O)[O-]	748670742	YJBKGHRFXRPYCB-UHFFFAOYSA-N	306.322	1.215	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccnc(Cl)c1F	843979246	NCDNOYLAMOPURR-BQBZGAKWSA-N	301.705	1.060	50	20	DDGD	
CC(C)[C@@H](N)CNC(=O)NNc1cccc(Br)n1	841944635	NDJMUKKVGQZSOI-QMMMGPOBSA-N	316.203	1.454	50	20	DDGD	
NC1(CNC(=O)NNC(=O)CCCc2ccccc2)CCC1	841966958	JUWBHZPLOUVQOJ-UHFFFAOYSA-N	304.394	1.221	50	20	DDGD	
CC[C@H](C)n1ncc(NC(=O)NNC(=O)CCCN)c1C1CC1	841164701	LLVHJIMUAYHHDS-JTQLQIEISA-N	322.413	1.623	50	20	DDGD	
C=C(C)CONC(=O)NNC(=O)COc1ccccc1CC	845590767	RVRSKADXIIJJGA-UHFFFAOYSA-N	307.350	1.466	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)N[C@@H]1CCCS(=O)(=O)C1	921780110	CKSNTWQKKOASER-SECBINFHSA-N	319.333	1.168	50	20	DDGD	
CCNC(=O)NC(=O)CN(C)CCO[Si](C)(C)C(C)(C)C	844348040	XDWVIHBTAPSNDD-UHFFFAOYSA-N	317.506	1.786	50	20	DDGD	
C#CCNC(=S)NNC(=O)c1cc2c(s1)CCCCC2	758181664	SNYGYYZDBJIYLZ-UHFFFAOYSA-N	307.444	1.759	50	20	DDGD	
C[C@]1(CNC(=O)N2C[C@@H]3C[C@@]3(CO)C2)C[C@@H]1Br	856956185	VHWWOQZPWDJAGJ-XPXLGCRWSA-N	303.200	1.184	50	20	DDGD	
C[S@@](=O)c1ccc(CNC(=O)NNC(=O)C2CCC2)cc1	753042659	YBMJJWLAUBKAOD-OAQYLSRUSA-N	309.391	1.055	50	20	DDGD	
CCn1nccc1C=NNC(=O)CCc1ccc(OC)cc1	753695821	AMUIAVGCEACJQS-UHFFFAOYSA-N	300.362	1.995	50	20	DDGD	
CCCN(C(=O)NC[C@]1(C)C[C@H]1Br)[C@H]1CCNC1	857105604	NVQGSRAMRWRXOV-LOWVWBTDSA-N	318.259	1.943	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cc(Cl)c(N)c(Cl)c1	858866429	YLRJHCUJQBVMQC-UHFFFAOYSA-N	305.165	1.928	50	20	DDGD	
COCCCOCCC(=O)NC[C@@]1(C)C[C@@H]1Br	857389885	ULRKYXWCXNXKFL-CMPLNLGQSA-N	308.216	1.719	50	20	DDGD	
C=CCCNC(=O)NNC(=O)c1ccc(OCC)c(OC)c1	852486596	AAPCZQNGWVWVJL-UHFFFAOYSA-N	307.350	1.614	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2ncncc2F)C[C@H]1Br	856898279	ZSLPZTQGIMHLJP-XCBNKYQSSA-N	318.150	1.415	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C)[C@H]1CCOC1	853372070	QMBVKRUPMCRXTG-BFHYXJOUSA-N	320.393	1.416	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1ccc(O[C@H]2CCOC2)cc1	853351811	VSJWVTVZUKOIGU-HNNXBMFYSA-N	314.345	1.270	50	20	DDGD	
COC(=O)[C@H]1C[C@H]2CC(=NNC(=O)OCC(F)(F)F)[C@H]1C2	853428347	CSJNDWZWVPFFDB-FXQIFTODSA-N	308.256	1.850	50	20	DDGD	
CSSCCNC(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)C1	854051429	TZIJIEWVFMKHCF-JTQLQIEISA-N	319.496	1.944	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)NCC2CC2)n2c1CCCC2	857206926	LVAFTPGMNHOYJT-UHFFFAOYSA-N	318.377	1.654	50	20	DDGD	
CCn1c(NNC(=O)Cc2ccncc2)nc2ccccc2c1=O	920760011	ROIMXYOJXKLMNQ-UHFFFAOYSA-N	323.356	1.497	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=Cc1ccc(O)cc1	750945394	LSCWPKYGYVELBN-UHFFFAOYSA-N	303.343	1.334	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C1CN(Cc2ccccc2)C[C@H]1C	751528362	FJBZYVXJNXUMEU-GFCCVEGCSA-N	311.389	1.956	50	20	DDGD	
CCNC(=O)NN=Cc1cc(Br)c2c(c1)OCO2	920827997	UCJSTJZYPPRTFN-UHFFFAOYSA-N	314.139	1.831	50	20	DDGD	
CCCn1nc(C)c(C(=O)NNC(=O)OCC(F)(F)F)c1C	856021357	MAVVCMHFLWVXBP-UHFFFAOYSA-N	322.287	1.843	50	20	DDGD	
CNC[C@@H](C)NC(=O)NNc1ccc(C#N)cc1C(F)(F)F	851679761	FCNZTBBMAZMSLZ-MRVPVSSYSA-N	315.299	1.811	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)C(=O)Nc1ccccn1)CC(C)(C)C	758832973	BRIQPNPIODGKLM-NSHDSACASA-N	320.393	1.630	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cnc2cccc(C)n12	755574982	BKIOGLMZIDZZRX-UHFFFAOYSA-N	301.394	1.825	50	20	DDGD	
CCC(N)(CC)CNC(=O)NC[C@]1(C)C[C@H]1Br	857104636	VEVHHPKBRUYVIH-KOLCDFICSA-N	306.248	1.977	50	20	DDGD	
CCC(=O)NNC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O	755321304	UADUMVYRGYEJMU-UHFFFAOYSA-N	317.349	1.047	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(OC)c(OC)c2)O1	756901233	LEUJYYINFKHVPK-AAEUAGOBSA-N	322.361	1.422	50	20	DDGD	
C[C@H](NC(=O)NC[C@]1(C)C[C@@H]1Br)c1ncn(C)n1	856850030	UWFJSDCOOILZMT-LAEOZQHASA-N	316.203	1.349	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1cc(C)oc1C	750938737	MSIWEWUADVYBCF-UHFFFAOYSA-N	303.318	1.760	50	20	DDGD	
CN(C)c1ccnc(CNC(=O)[C@@]2(C)C[C@@H]2Br)c1	927696507	ABJZMOOCPAUGBQ-AAEUAGOBSA-N	312.211	1.937	50	20	DDGD	
COCC(=O)N(C)CC(=O)OC[C@@H](CBr)C1CC1	859613475	HUVFTZSPANRRAY-SNVBAGLBSA-N	322.199	1.056	50	20	DDGD	
O=C(NCc1nc2c(s1)CCC2)NNc1ccc(Cl)nn1	924581073	IJJNEOTVHFQVSW-UHFFFAOYSA-N	324.797	1.902	50	20	DDGD	
CN(C)[C@H]1CCC[C@@H](NC(=O)NNc2ncc(Cl)cn2)C1	856877256	ZHRKYDSQTHZXCK-MNOVXSKESA-N	312.805	1.629	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1C[C@H](C)N(Cc2ccccc2)C1	757570122	UNRKFHFAENZOMP-ZDUSSCGKSA-N	316.405	1.278	50	20	DDGD	
C[C@@H](NC(=O)C1CCCC1)C(=O)NN=c1cc[nH]cc1Cl	757420229	VGISKEWGCAJLFY-SECBINFHSA-N	310.785	1.295	50	20	DDGD	
Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@]1(C)C[C@@H]1Br	857395988	WTLOUNYEKYUCSY-OIBJUYFYSA-N	317.143	1.232	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@H]1COc2ccccc2O1)C1CCC1	756102290	ZUPHRYJVHGISBI-IINYFYTJSA-N	319.361	1.345	50	20	DDGD	
CCOc1ccc(OCC)c(NC(=O)NNC(=O)COC)c1	755466773	JHHJIHUPZJSSFE-UHFFFAOYSA-N	311.338	1.283	50	20	DDGD	
Cc1nn(C)c2ncc(NC(=O)NNC(=O)c3ccc[nH]3)cc12	755847964	QKGGPWAGGSTRJA-UHFFFAOYSA-N	313.321	1.071	50	20	DDGD	
C[C@H]1CCN(S(=O)(=O)CC(C)(C)CCl)C[C@@H]1C(=O)O	864497997	YJHCCBAKWBERBK-UWVGGRQHSA-N	311.831	1.624	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cc(Cl)cc2cccnc12	763154379	RUVWKKRSDSVTDQ-UHFFFAOYSA-N	318.764	1.863	50	20	DDGD	
C[C@@H](CSCc1ccccc1)C(=O)NNC(=O)c1cn[nH]c1	862472617	OIKPIYCXOWJDFG-NSHDSACASA-N	318.402	1.740	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@H](C)C2)n1	862523799	NYFIRCUJYSEULE-LZWOXQAQSA-N	320.437	1.967	50	20	DDGD	
CC(C)Cc1ncc(C(=O)NNC(=O)N=c2cc[nH]cc2)s1	935857721	GEQGEPNGXYPFBC-UHFFFAOYSA-N	319.390	1.625	50	20	DDGD	
CSc1ccc2c(c1)CCCC2=NNC(=O)[C@H]1CCC(=O)N1	863146226	UMVCDPAFYOQPID-CQSZACIVSA-N	317.414	1.844	50	20	DDGD	
CN1CCC(=NNC(=O)c2ccc(Cl)cc2Cl)C1=O	761776884	FJXSLSARUGQDFT-UHFFFAOYSA-N	300.145	1.941	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)CNc2ccccc2)CCC1=O	763496496	HKPZYNNXJRNZHL-VXGBXAGGSA-N	303.362	1.251	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)c2c[nH]c3ccccc23)CCC1=O	763272908	USXVBWFQVUVIBE-MNOVXSKESA-N	313.357	1.934	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1C[C@]12C(=O)Nc1ccccc12	930717796	KTNAANZZLGMVKF-MEDUHNTESA-N	316.361	1.027	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2cc3n(n2)CCCO3)c1	862477967	WQGMQEGWBARDKP-UHFFFAOYSA-N	306.347	1.110	50	20	DDGD	
C[C@@H](NNC(=O)[C@](C)(O)CCc1ccccc1)C(F)(F)F	862320182	POEATWHUCVGJGY-ZWNOBZJWSA-N	304.312	1.942	50	20	DDGD	
Cc1c(NNC(=O)C(F)(F)C2(O)CCC2)cccc1[N+](=O)[O-]	765009634	LXSANTFOQRKQDL-UHFFFAOYSA-N	315.276	1.897	50	20	DDGD	
CC[C@H](C)n1ncc(NC(=O)NNC(=O)c2cn[nH]c2)c1C	861014218	FJZOYTLEAONGFV-QMMMGPOBSA-N	305.342	1.352	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)C1(O)CCCCC1	766664005	XNRQWXHHYDOIHK-UHFFFAOYSA-N	312.391	1.228	50	20	DDGD	
COCCOCC(=O)NNC(=O)C[C@H](C)C1CCCCC1	869909089	INBDAPLWAZBBSJ-LBPRGKRZSA-N	300.399	1.403	50	20	DDGD	
O=C(NNC(=O)c1ccnn1C1CCCC1)NC1CCCC1	765313442	GPOUPIYHYQAGPN-UHFFFAOYSA-N	305.382	1.885	50	20	DDGD	
COc1nccnc1NNC(=O)C(=O)Nc1ccc(C)cc1C	766263802	BCECURJQLMAPMO-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccnc1)c1cccs1	763198668	ICORPSNRMVUGAG-UHFFFAOYSA-N	302.359	1.413	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)COc2ccccc2F)CCC1=O	763282158	HWOYLIRFUQHJKT-WDEREUQCSA-N	322.336	1.357	50	20	DDGD	
COCC(=O)NN=Cc1c(C)nn(Cc2ccc(C)cc2)c1C	761818154	SFDBLOFDIPBMJZ-UHFFFAOYSA-N	314.389	1.953	50	20	DDGD	
CC[C@H](C)C(=O)NN=Cc1ccc(N2CCN(C)CC2)cc1	771564116	RGIQUWUSIASXIB-AWEZNQCLSA-N	302.422	1.935	50	20	DDGD	
C[C@@H]1CC[C@@H](C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1	776285230	JZPZZWVBCZSOQD-GYSYKLTISA-N	304.346	1.410	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)C2(CN(C)C)CC2)c1	874947064	CLLQAHPXLFNGCX-UHFFFAOYSA-N	324.425	1.794	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](C)[C@H](OC)c1ccccc1F	875462228	IZCJPKNWKOABTN-CABZTGNLSA-N	313.329	1.814	50	20	DDGD	
CCOc1nc(C(=O)NNC(=O)c2ccc(Cl)nc2)co1	772213341	QEZCHTOPZHLOAB-UHFFFAOYSA-N	310.697	1.197	50	20	DDGD	
COC[C@@H](NC(=O)NNc1nncc(N)c1Cl)C(C)C	1116301106	SDDWYMOXJPZTHV-MRVPVSSYSA-N	302.766	1.009	50	20	DDGD	
CC(C)Cc1cc(C(=O)NNC(=O)CC(F)(F)F)cc(O)n1	777521425	BVHYHUYFBHQFJY-UHFFFAOYSA-N	319.283	1.699	50	20	DDGD	
Cc1cccc(NNC(=O)NCc2ccc(C)n(C)c2=O)n1	875537701	ABSDYROGUPCXGF-UHFFFAOYSA-N	301.350	1.223	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)Cc2c[nH]c3ccccc23)C1	875906606	RLONJJIXFJBWCA-HAQNSBGRSA-N	316.361	1.218	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1)C(C)C	771441278	TZIWSLSWQPRNJW-LBPRGKRZSA-N	322.390	1.570	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc3n(n2)CCCC3)cc1O	882050712	GKXFLWZOWDDSDE-UHFFFAOYSA-N	314.345	1.308	50	20	DDGD	
CSSCCNC(=O)NCCCNc1ncccn1	1123555917	CATJTUDGSZJOKP-UHFFFAOYSA-N	301.441	1.589	50	20	DDGD	
C#CCCCC(=O)NNC(=O)/C=C\c1ccc(C(=O)OC)o1	887153271	NVJLTICONCAESQ-NTMALXAHSA-N	304.302	1.030	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2nn(C)c(=O)c3ccccc23)CCO1	773194680	XLYKUKWMYBNWLN-SNVBAGLBSA-N	314.345	1.218	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2nccs2)c1	770080814	RIRGUNNGNJZDMH-UHFFFAOYSA-N	307.331	1.235	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C1CCOCC1)c1ccc(OC)cc1	883067444	IMMKPCJWVILWBC-HNNXBMFYSA-N	320.389	1.763	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNc2ccccc2S(C)(=O)=O)CCO1	776476891	PQJPXDUOTFOOEM-WDEREUQCSA-N	312.391	1.348	50	20	DDGD	
COc1ccc(F)cc1CC(=O)NNC(=S)NC(C)(C)C	773769061	RTWHBRKBUWVAHZ-UHFFFAOYSA-N	313.398	1.671	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CCC[C@H]2OC)cc1F	1120742521	DLUZNXZMWHXEMU-WCQYABFASA-N	310.325	1.871	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CCn1cc(Cl)cn1	772845493	SDKRCAAUSFJCGO-UHFFFAOYSA-N	308.773	1.983	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)C1CCSCC1	777429133	DMAQCQHVNCJKHR-NSHDSACASA-N	304.437	1.056	50	20	DDGD	
CO[C@H]1c2ccccc2C[C@H]1NS(=O)(=O)CCCCl	882255836	HXGLIRAKEDPTBK-OLZOCXBDSA-N	303.811	1.847	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1	883084806	CBIXPPFILCGDSM-JHJVBQTASA-N	317.393	1.780	50	20	DDGD	
CSc1ccncc1NC(=O)C(=O)NNc1ccnc(F)c1	784848610	HLQYNMNEBKVADQ-UHFFFAOYSA-N	321.337	1.419	50	20	DDGD	
COc1cc(NNC(=O)N[C@H](C)C[S@@](C)=O)ccc1Cl	789179598	LTDWPCKGCRXURG-ZPWHCFADSA-N	319.814	1.742	50	20	DDGD	
Cc1c(C(=O)NNc2ccnc(F)c2)nnn1-c1ccccc1	781362544	YNSIAGSLWCZYAW-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
O=C(NNC(=O)c1ccc(F)cn1)c1ccc2c(c1)OCCO2	783839831	SXBPQYDXEDONBA-UHFFFAOYSA-N	317.276	1.067	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C/c1ccccc1O[C@H](C)C(=O)OC	899368778	MLGFSPKDVBDIOU-VSXLWIIGSA-N	323.370	1.926	50	20	DDGD	
CNC(=O)NNC(=O)CCCCCNC(=O)OC(C)(C)C	780458504	ANKMVDANGJWEBZ-UHFFFAOYSA-N	302.375	1.032	50	20	DDGD	
C[C@H]1CCc2[nH]nc(C(=O)NNc3ncncc3Cl)c2C1	897499638	OVNNFUKYWGOTLP-ZETCQYMHSA-N	306.757	1.735	50	20	DDGD	
C[C@H](C(=O)NNC(=O)NCc1ccc(Cl)cc1)n1cccn1	787428908	NDYOEVIWPGFHHH-SNVBAGLBSA-N	321.768	1.628	50	20	DDGD	
CCn1cc(CC(=O)NNc2cccc([N+](=O)[O-])c2C)cn1	780950113	CQDDCFWNYNHUHV-UHFFFAOYSA-N	303.322	1.805	50	20	DDGD	
C[C@@H](C(=O)Nc1cccc(NC(=O)NN(C)C)c1)n1cncn1	788253537	BHIODABUNLRTNL-JTQLQIEISA-N	317.353	1.076	50	20	DDGD	
C[C@H]1CCN(S(=O)(=O)c2ccc(CCl)cc2)[C@@H]1CO	388776497	JKVUZEJABMKJMH-GXFFZTMASA-N	303.811	1.817	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C\c1cc(Br)nn1C	780004349	LXCLOCXPRDFRLS-WTKPLQERSA-N	311.183	1.862	50	20	DDGD	
Cc1cnn(C)c1C=NNC(=O)c1cc([N+](=O)[O-])ccc1O	794911505	HFQYIHKZEULZHV-UHFFFAOYSA-N	303.278	1.106	50	20	DDGD	
Cc1cccnc1NNC(=O)CN1C(=O)COc2ccccc21	791221316	RZTJOPUQAGGLAE-UHFFFAOYSA-N	312.329	1.259	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NN=c2cc[nH]c3ccccc23)nn1	792322458	CMNZOGGETLTOJR-UHFFFAOYSA-N	310.361	1.760	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@H]1CCN(CC(F)(F)F)C1	792640508	BOHTUZAJEPKZAS-VIFPVBQESA-N	309.332	1.454	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cn1c(C)nc2ccccc21	798304923	FGGJPLISYKLXEN-UHFFFAOYSA-N	303.391	1.026	50	20	DDGD	
O=C(NN=Cc1ccsc1Cl)C(=O)Nc1ccccn1	790166538	KLUURWZHSFHDFF-UHFFFAOYSA-N	308.750	1.885	50	20	DDGD	
Cc1cccc(CCNC(=O)NNc2cncc(Cl)n2)n1	792239099	BFPIAHUAFQRHAI-UHFFFAOYSA-N	306.757	1.702	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H](C)c2ccc(C#N)cc2)n1	792836444	WLAVPRCKTXTRKU-LBPRGKRZSA-N	323.356	1.967	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1cccc2c1CCO2	797670975	BOCCSNJWXBKRQM-UHFFFAOYSA-N	312.329	1.412	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1c(F)ccc(O)c1F	798153859	JJDHSCDEYWCOKY-UHFFFAOYSA-N	324.258	1.813	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=C1C(=O)OC[C@H]1C	794871155	VPPCFCXFBXACLX-SECBINFHSA-N	300.318	1.010	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCC1([S@@](C)=O)CC1	799777136	SQGNWBFYSPNDTQ-HXUWFJFHSA-N	317.842	1.380	50	20	DDGD	
Cc1nnc(NNC(=O)c2cnn(C3CCCC3)c2C)nc1O	1319699156	WEAGQOMAFMSSSW-UHFFFAOYSA-N	317.353	1.263	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H](C)c2ccc(F)c(F)c2)n[nH]1	1329959548	BBMCFWGXBFFKPF-VIFPVBQESA-N	322.315	1.490	50	20	DDGD	
N#Cc1cccc(NC(=O)C(=O)NNc2nccnc2Cl)c1	1320600062	PQAGHFONOYTMFH-UHFFFAOYSA-N	316.708	1.083	50	20	DDGD	
O=C(C[C@H]1C[C@H]2CC[C@H]1O2)NNC(=O)c1n[nH]c2c1CCCC2	1325511962	SJXMXRQQXVJDCO-GIPNMCIBSA-N	318.377	1.007	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CSc1ccccc1O)n1ccnc1	1320385465	IZMMODBABOMPGI-JTQLQIEISA-N	320.374	1.089	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1)C1CC1	1329258369	RAFRBODBNINWDY-YGRLFVJLSA-N	324.352	1.556	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21)c1cc(Cl)ccc1O	1334127987	YVLFJTGVMLVBRO-UPZJHPNMSA-N	308.721	1.032	50	20	DDGD	
COC(=O)Cc1csc(NC(=O)NCC(Cl)Cl)n1	1333393241	LQMJICYCTUAWKQ-UHFFFAOYSA-N	312.178	1.784	50	20	DDGD	
Cc1cn(CC(=O)NNC(=O)C2CCOCC2)c2ccccc12	1330828421	ARTDMYPKSNRYTK-UHFFFAOYSA-N	315.373	1.524	50	20	DDGD	
O=C(C1CCC(Cl)CC1)N1CC[C@@H](CN2CCOCC2)C1	1519629258	VFVBZWBIIIBAJM-NFOMZHRRSA-N	314.857	1.965	50	20	DDGD	
COC(=O)c1cc(NC(=O)[C@]2(C)C[C@H]2Br)n(C)n1	1529109167	ZQQTXIQODSUPQR-RDDDGLTNSA-N	316.155	1.319	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2cnc3[nH]ncc3c2)cc1	1608781510	HIFGMXNGJZUVTL-UHFFFAOYSA-N	311.301	1.342	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C[C@@H](C)CC(=O)O)c1	1600175049	BYJFQRDREDXXMQ-GFCCVEGCSA-N	322.361	1.331	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@]2(C(=O)O)CC[C@@H](C)CC2)cn1	1608110465	ROGJUXAVKWRMMW-LYEZKQMDSA-N	316.361	1.477	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2ccc(C(=O)O)n2C)cc1	1600467782	BETPAROPWDVWNT-UHFFFAOYSA-N	315.329	1.561	50	20	DDGD	
O=C(O)[C@]1(C(=O)NNc2ccnc(F)c2)C[C@H]1c1ccccc1	1601703370	ZFSVFZYFVYROJA-BLLLJJGKSA-N	315.304	1.922	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)cc1)[C@H]1CN2CCC[C@H]2CO1	1549314557	IWFMFLZCGXAUKZ-UONOGXRCSA-N	307.781	1.653	50	20	DDGD	
CC(C)[C@H](C(=O)N(C)NC(=O)OCc1ccccc1)[C@H](C)N	1575402891	WHZHTFSNLTYINN-JSGCOSHPSA-N	307.394	1.906	50	20	DDGD	
COC[C@@]1(C(=O)NNc2cccc(C(=O)OC)c2)CCCCN1	1578976895	LVMZVUAECGRALF-MRXNPFEDSA-N	321.377	1.075	50	20	DDGD	
CC(C)(C)[C@H](N)CC(=O)NNC(=O)c1cccc2ncccc12	1575113688	ZQKGJWBKABETBC-CQSZACIVSA-N	314.389	1.759	50	20	DDGD	
NC1(C(=O)NNC(=O)Nc2ccc(OC(F)F)cc2)CCC1	1580139380	PHBJDNLGNARDSZ-UHFFFAOYSA-N	314.292	1.322	50	20	DDGD	
N[C@@H](C(=O)NN=c1cc[nH]cc1)c1ccc(Br)cc1	1580115542	YZUKPWMSZLAKHQ-GFCCVEGCSA-N	321.178	1.409	50	20	DDGD	
CC(C)[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(Cl)Cl	1847634891	RHLZKQJCQWHKCT-GUBZILKMSA-N	323.220	1.009	50	20	DDGD	
O=C(Oc1ccc([N+](=O)[O-])c2ncccc12)[C@H](F)[C@H]1CCNC1	1580805855	YTSFZFAPDDNWOR-TVQRCGJNSA-N	319.292	1.996	50	20	DDGD	
N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)NNc1cccc(F)c1[N+](=O)[O-]	1580411630	HCHMMMXYZYPINM-MMSPYSMKSA-N	308.313	1.550	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)[C@]1(c2ccccc2)CCNC1	1580743050	OIGLMNAHLMOKSF-MRXNPFEDSA-N	318.327	1.734	50	20	DDGD	
C[C@H](C(=O)O)n1cccc1C=NNC(=O)OCC(F)(F)F	1589540412	XHWCILABIJJNCB-SSDOTTSWSA-N	307.228	1.756	50	20	DDGD	
C[Si](C)(C)OCC(=O)N1CC2(CCCN2C(=O)C2CCC2)C1	1842589352	OFFFNNBICCCUTM-UHFFFAOYSA-N	324.497	1.841	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cncnc2)C1	1842485444	UQYSHSDPXSCCPO-GFCCVEGCSA-N	322.796	1.311	50	20	DDGD	
COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)C(C)(F)F)C2	1846361612	FHMKFRFGDYGZOA-SECBINFHSA-N	324.755	1.099	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](C(=O)O)c1ccc(C)c(C)c1	1596862644	NVFRHAWXTPVWLE-KADHNRKRSA-N	302.330	1.989	50	20	DDGD	
CSc1ccc(NC(=O)NNC(=O)C(C)C)cc1C(=O)O	1599818891	GFNPBFOAHCKKGJ-UHFFFAOYSA-N	311.363	1.915	50	20	DDGD	
Cn1cc(C(=O)NN=C(CCC(=O)O)Cc2ccccc2)cn1	1594530268	IZCJIBJWHGVSAR-UHFFFAOYSA-N	314.345	1.613	50	20	DDGD	
CN(C)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Cl)C2	1795872714	QXVFFPGYEPUZCC-LSCVPOLPSA-N	319.808	1.111	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(O)c1	12021878	HRHIIUMZABGZOV-UHFFFAOYSA-N	301.258	1.375	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)Cn1c(C)cc(O)cc1=O	160797751	ZNRLZWUVIVAIQS-UHFFFAOYSA-N	305.309	1.453	50	20	DDGD	
O=C(CCCNC(=O)c1cccnc1)NNc1ccccc1F	152938781	OUTPMMFARFIZOG-UHFFFAOYSA-N	316.336	1.874	50	20	DDGD	
CC(C)(C(=O)NNc1cccc(C#N)c1)n1cc([N+](=O)[O-])cn1	152750285	VLZTUSLQOGVOCQ-UHFFFAOYSA-N	314.305	1.541	50	20	DDGD	
CCC1CCC(CNC(=O)NNC(=O)C(=O)N2CCCC2)CC1	155132304	YJJNODUTAOVTFX-UHFFFAOYSA-N	324.425	1.156	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CCc2ccoc2)n1	155705018	IIIOLECECUNLBD-UHFFFAOYSA-N	303.366	1.992	50	20	DDGD	
CS[C@@H](C)CC(=O)NNC(=O)Cc1c[nH]c2ccccc12	155467550	BMNONGBDOOHOSC-JTQLQIEISA-N	305.403	1.999	50	20	DDGD	
COCC(=O)N1CCN(C[C@H](CBr)C2CC2)CC1	859076349	HHTGCDIIFWGWJY-LBPRGKRZSA-N	319.243	1.198	50	20	DDGD	
CC1(C)[C@@H](NS(=O)(=O)c2ccc(CCCl)cc2)C[C@H]1O	130278644	TWFYOFDGLFEMRN-QWHCGFSZSA-N	317.838	1.906	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)CCn1cccn1	862286938	KNBUGUABRIQGJY-UHFFFAOYSA-N	302.334	1.573	50	20	DDGD	
COc1ccnc(NNC(=O)NCCCc2nc(C)cs2)n1	102575770	OMXKAXPGHFJSNL-UHFFFAOYSA-N	322.394	1.509	50	20	DDGD	
CCOC(=O)NNC(=O)c1nnn(-c2ccc(C)cc2)c1C	55410675	QJYZROFQHLMUCQ-UHFFFAOYSA-N	303.322	1.275	50	20	DDGD	
COc1ccc(-n2ccc(C(=O)NNc3ncccn3)n2)cc1	55214825	CZPOQNNBTLIIOU-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNC(=O)c2cccc3ncccc23)c[nH]1	174680438	IVECTKCHQIYSRQ-UHFFFAOYSA-N	322.324	1.306	50	20	DDGD	
CCN(CCC(=O)OC)C(=O)c1c(C)nn(CCCl)c1C	114244655	MUFSGQSIMMTPSN-UHFFFAOYSA-N	315.801	1.764	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCc1cc2ccccc2o1	177416171	GBUYGIFFBVRWHI-UHFFFAOYSA-N	324.340	1.901	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc([N+](=O)[O-])c(C)c2)n1	174482459	XXOSEPUHSITJFY-UHFFFAOYSA-N	317.305	1.767	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2cc[nH]c2)cc1	68229864	SATZMACGTUGXCI-LLVKDONJSA-N	317.345	1.642	50	20	DDGD	
CC(C)(NCC(=O)NNC(=O)C1CC1)c1ccc(Cl)cc1	112979809	CPSXQQLOOBQGSJ-UHFFFAOYSA-N	309.797	1.722	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1OC	64427318	NFNLVEGDHMZSRT-UHFFFAOYSA-N	310.310	1.348	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NC[C@@H]1CCc2ccccc21	176349422	HMYPPYJLLDRFEZ-HNNXBMFYSA-N	324.384	1.685	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@@H]2CC[C@H](C)O2)cc1	1344569160	VJGGSKVUKXBADV-GWCFXTLKSA-N	307.350	1.207	50	20	DDGD	
COc1ccc(C(=O)NNc2nccnc2Cl)c(OC)c1	114897487	GUMGJJPERXMAES-UHFFFAOYSA-N	308.725	1.904	50	20	DDGD	
CCCCOCCCNC(=O)NNC(=O)c1ccc(C#N)cc1	60994871	WMXAOKPWOWVAGR-UHFFFAOYSA-N	318.377	1.709	50	20	DDGD	
O=C(CCn1ccccc1=O)NNc1ccc(OC(F)F)cc1	121979098	HOIRKBXPWKGFAD-UHFFFAOYSA-N	323.299	1.983	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1cc(C)ccc1Cl	124198995	DTRQWMZUYIXWSF-UHFFFAOYSA-N	305.787	1.551	50	20	DDGD	
COC(=O)/C(C#N)=C/c1ccccc1OCC(=O)N1CCCC1	32751804	FUAYVYXNBDYSFK-GXDHUFHOSA-N	314.341	1.768	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2CCCc3occc32)n1	120860660	YXSIGOPZOAHPPW-JTQLQIEISA-N	303.322	1.782	50	20	DDGD	
CSC[C@](C)(O)CNC(=O)/C(C#N)=C\c1ccc(O)cc1	185706177	WWODJXNFHZVPPM-WASHYIJTSA-N	306.387	1.529	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)NCc2ccncc2)c1	181614573	JWRVLRALIRPKRX-UHFFFAOYSA-N	320.374	1.311	50	20	DDGD	
O=C(CCC(=O)c1ccc(Cl)cc1)NNC(=O)[C@@H]1CCCO1	32262807	ONUUMXMUORSYPK-ZDUSSCGKSA-N	324.764	1.629	50	20	DDGD	
CN(C)c1ccccc1NC(=O)NNC(=O)Cc1ccncc1	183548653	XOUVYSMTTVIUHE-UHFFFAOYSA-N	313.361	1.543	50	20	DDGD	
CCc1ccccc1NC(=O)C(=O)NNc1cccc(OC)n1	181520430	IOJBJXVJUQMDDL-UHFFFAOYSA-N	314.345	1.734	50	20	DDGD	
CC(C)CCn1cc(C(=O)NNc2cc(Cl)nc(N)n2)nn1	134133171	XVGGHMTXGBBTJG-UHFFFAOYSA-N	324.776	1.107	50	20	DDGD	
COC(=O)CC1(NC[C@@H](C)CBr)CCOCC1	134020685	ULMGMUQKUVUTQL-JTQLQIEISA-N	308.216	1.719	50	20	DDGD	
O=C(Cc1ccccc1Cl)NNC(=O)NCC(F)(F)F	48831989	PHQGBRXNNHIDOU-UHFFFAOYSA-N	309.675	1.775	50	20	DDGD	
O=C(Cc1ccc(-n2cccn2)cc1)NNC(=O)c1cccnc1	46810493	LFVZTMSWLABODX-UHFFFAOYSA-N	321.340	1.271	50	20	DDGD	
O=C(NCc1ccoc1)NNC(=O)c1cccc([N+](=O)[O-])c1	47089444	PYKAWSBCVJLPLL-UHFFFAOYSA-N	304.262	1.332	50	20	DDGD	
CN(C)C1(CNC(=O)NNC(=O)c2ccccc2F)CCCC1	43147268	PMHONLBCEDRGAY-UHFFFAOYSA-N	322.384	1.644	50	20	DDGD	
COc1ccc(Cl)cc1C(=O)NNc1nccnc1OC	131881222	SBIPHTIOQRJBDE-UHFFFAOYSA-N	308.725	1.904	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(C)c(F)c(C)c1	134739424	YECCFOPUKSKZJD-UHFFFAOYSA-N	323.368	1.508	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)C(C)(C)Oc1ccc(Cl)cc1	190060914	HEKIBHNWNKLKCU-UHFFFAOYSA-N	314.769	1.416	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](C)C2CCOCC2)s1	134694062	PQNOEAAWQRKPQD-SNVBAGLBSA-N	311.407	1.816	50	20	DDGD	
COc1ccc(C(=O)CCC(=O)NNC(=O)C2CC2)cc1F	81556779	RSWXKVKFHMHVGT-UHFFFAOYSA-N	308.309	1.355	50	20	DDGD	
O=C(/C=C/SCc1ccco1)NNC(=O)Cc1ccncc1	84981290	FWNNWSJHWDVJEF-WEVVVXLNSA-N	317.370	1.812	50	20	DDGD	
COc1cccc([C@H](C)CC(=O)NNC(=O)c2cccn2C)c1	84578817	SDLKCZNMMLVCFA-GFCCVEGCSA-N	315.373	1.989	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNc1cc(C#N)cc(Cl)n1	93546786	ZAFFATCOPCOIOH-LLVKDONJSA-N	307.785	1.924	50	20	DDGD	
CC[C@H](C)[C@@H](C)NC(=O)NNc1ccc(-n2cccn2)nn1	98122259	SWXXUCGJDAUJRB-WDEREUQCSA-N	303.370	1.723	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[nH]n1	255372206	GQDBREFVYGZQLY-DAXSKMNVSA-N	315.289	1.101	50	20	DDGD	
CC[C@H]1CCC[C@H]1NC(=O)NNc1nc(O)c2cnn(C)c2n1	269301385	UOCCJKQVGIBRKH-WCBMZHEXSA-N	319.369	1.274	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2CCCCO2)c1	269355134	PIOVGTHWTKDTTN-CYBMUJFWSA-N	308.334	1.034	50	20	DDGD	
CCC[C@@H](NNC(=O)COc1ccc(C#N)cc1)C(=O)OCC	266439876	GHAUFXWLKNRFOW-CQSZACIVSA-N	319.361	1.290	50	20	DDGD	
CN1CCC(CCNC(=O)NNC(=O)c2ccccc2F)CC1	264155239	KHZRDISCOCOVQP-UHFFFAOYSA-N	322.384	1.502	50	20	DDGD	
C[C@@H](CCNC(=O)NNc1cccnn1)NC(=O)OC(C)(C)C	265461428	FWBZUJFAGXKHRU-JTQLQIEISA-N	324.385	1.406	50	20	DDGD	
COCCOCCNC(=O)NNc1cccc([N+](=O)[O-])c1C	263962150	IPXTVAVGQJULMD-UHFFFAOYSA-N	312.326	1.192	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C[C@H]1CCCCO1	267913851	FJZBNOPBRVGYJM-GFCCVEGCSA-N	322.361	1.181	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NNc1cccc2cnccc12	273146995	YFJHUNOABGYIEM-CYBMUJFWSA-N	314.389	1.646	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2cccc(C)n2)c1C	279848913	STZZMVXVDYOLAD-UHFFFAOYSA-N	314.345	1.612	50	20	DDGD	
CC1CCN(CC(=O)NNc2cccc(F)c2[N+](=O)[O-])CC1	279435018	USKLIJLQPJDXED-UHFFFAOYSA-N	310.329	1.909	50	20	DDGD	
C#CCn1ccc(CN(CC)S(=O)(=O)CBr)n1	278714280	KUWKOJMDDXLABZ-UHFFFAOYSA-N	320.212	1.020	50	20	DDGD	
Cn1cnnc1[C@@H]1CCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	279830693	KRNZKDXIJAVBBL-CTXBLAANSA-N	323.356	1.791	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1)C1CC1	275151823	YARWQPJWRXRRMW-NSHDSACASA-N	316.279	1.166	50	20	DDGD	
COc1cccc([C@H](C)CCCC(=O)NNC(=O)C(C)(C)O)c1	279803259	SUZQDLVXGRGOID-GFCCVEGCSA-N	322.405	1.887	50	20	DDGD	
COC(=O)NNC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O	276921105	RXZIULBQNLBEBG-ZDUSSCGKSA-N	303.318	1.338	50	20	DDGD	
COC[C@H](CNC(=O)NNc1cc(F)c(F)c(F)c1)OC	273021211	TZHJTWZVSMJSRS-QMMMGPOBSA-N	307.272	1.391	50	20	DDGD	
COC(=O)N(C)NC(=O)COc1ccc(Br)cc1	286477750	VBGVXPSSMINWFO-UHFFFAOYSA-N	317.139	1.557	50	20	DDGD	
CCC(=O)N1CC[C@@H](NC(=O)/C(C#N)=C\c2ccc(O)cc2)C1	280010638	XHYAMOWRQVGCOY-RNQWEJQRSA-N	313.357	1.426	50	20	DDGD	
CCOc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)CC(C)C)c1	283571378	VQZJSHQIQQJPNZ-UHFFFAOYSA-N	309.322	1.801	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2[C@H]3CCC[C@H]32)cc1	283017543	YOKYAJGPVGUORM-ITGUQSILSA-N	301.346	1.127	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)CCN1C(=O)CCC1=O	281787646	NPMYSXVZKHWICI-UHFFFAOYSA-N	303.362	1.540	50	20	DDGD	
COC(=O)N(C)NC(=O)CCCOc1ccc(F)cc1F	286462259	TVGFSHAXYJZJSN-UHFFFAOYSA-N	302.277	1.853	50	20	DDGD	
Cc1nnc(COCC(=O)NNc2ccccc2[N+](=O)[O-])s1	286228924	RGQSWRPGRAGFEG-UHFFFAOYSA-N	323.334	1.415	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1C[C@@H]1c1cc(OC)ccc1OC	286442831	RVFYRASSGARZSZ-PWSUYJOCSA-N	308.334	1.537	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccc2c(c1)CCCCC2=O	292725065	DIUNMFCMDLTECM-UHFFFAOYSA-N	304.346	1.128	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@H]1CCO[C@@H](C2CC2)C1	298242663	JGKSLEAPWWGEEO-CMPLNLGQSA-N	312.320	1.944	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Cc1c[nH]c2cccc(Cl)c12	295329068	TYGBIDHGDJMCIR-UHFFFAOYSA-N	308.769	1.073	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)C[C@@H]2CCCCC2(C)C)CC1	807383206	OTQVHAAHZACYDN-ZDUSSCGKSA-N	310.442	1.581	50	20	DDGD	
O=C(NC[C@H]1CCN(C2CC2)C1)NNc1ncc(F)cc1F	297244331	ZOSWQEOIGQEADH-SECBINFHSA-N	311.336	1.470	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@H](O)CCSC)c1ccccc1	294678644	RPYKQBGVOKWIFQ-CHWSQXEVSA-N	310.419	1.442	50	20	DDGD	
COCCc1ccnc(NC(=O)NNc2cccc(F)n2)c1	806657577	AOUZERSLEYCUCJ-UHFFFAOYSA-N	305.313	1.953	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cccc(NC(=O)NC2CC2)c1	299306364	QBNCETLLQLQTLF-UHFFFAOYSA-N	319.365	1.323	50	20	DDGD	
COCc1cc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)no1	802015822	BNPKHHMEGLFBQX-UHFFFAOYSA-N	324.724	1.941	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)CCCCC2=O)NC1CC1	291466133	IQKWIUGJFUFBAL-UHFFFAOYSA-N	301.346	1.702	50	20	DDGD	
CCc1[nH]c(C(=O)NNc2ccncn2)c(C)c1C(=O)OC	295412828	IBYAIXNVLIQJME-UHFFFAOYSA-N	303.322	1.219	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@@](F)(CO)C1	802345423	UFWCEJYQIVJFIR-ZDUSSCGKSA-N	303.765	1.285	50	20	DDGD	
CS(=O)(=O)c1ccccc1CC(=O)NNc1cccc(F)n1	804774942	WYDLMWDWMKSHHT-UHFFFAOYSA-N	323.349	1.310	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)CCCC#N	292406228	UFVAEIBCACWDIG-UHFFFAOYSA-N	310.379	1.074	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2cccc(C(=O)O)c2)cs1	814739975	JGJXKAGUJDDANQ-UHFFFAOYSA-N	303.343	1.843	50	20	DDGD	
COc1ccn2c(C(=O)NNC(=O)C3CCCC3)cnc2c1	819097054	WKTQAJINGGBQIQ-UHFFFAOYSA-N	302.334	1.294	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)CNc1ccc(OC)cc1	812456076	NTVGESWNGZWYHH-VXGBXAGGSA-N	323.393	1.173	50	20	DDGD	
CC1(C)CC(=NNC(=O)c2csc(N3CCOCC3)n2)C1	814749744	LYOBOXZWADIOLI-UHFFFAOYSA-N	308.407	1.886	50	20	DDGD	
O=S1(=O)CC[C@H](NCc2ccc(OCCCCl)cc2)C1	811453372	UNTXOHUDZIHNHX-ZDUSSCGKSA-N	317.838	1.971	50	20	DDGD	
CC[C@@H](C(=O)NN=C1CCN(CCO)CC1)c1ccccc1	819808461	WDLUPWXMZHURPZ-MRXNPFEDSA-N	303.406	1.741	50	20	DDGD	
CCC(=O)N1CCN(C(=O)[C@@H](Br)C(C)(C)C)C1	819671323	DGLBAHSCNXFGGH-SNVBAGLBSA-N	305.216	1.834	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc2c(c1)CCCC2=O	814795715	JKEIRHONMPFYGY-UHFFFAOYSA-N	311.341	1.619	50	20	DDGD	
NC(=O)Cc1ccc(CNC(=O)NNc2ncccc2F)cc1	811922393	QWJIQJOIARIVRV-UHFFFAOYSA-N	317.324	1.075	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)C1CCN(C)CC1	814700847	FTEKQPIYEVFKEB-INIZCTEOSA-N	317.389	1.660	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@@H](C)CC	818029690	CCSHDBKLZMVOPP-NSHDSACASA-N	302.378	1.792	50	20	DDGD	
Cc1noc(C)c1CN(C)C(=O)NNC(=O)Cc1cccnc1	728956983	FHWBEBOMFBLWGY-UHFFFAOYSA-N	317.349	1.102	50	20	DDGD	
O=C(COc1cc(F)cc(F)c1)NN=c1cc[nH]cc1Cl	810509767	XIPXBHIBCGMPBE-UHFFFAOYSA-N	313.691	1.957	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cnc(Cc2ccccc2)s1	823946230	GCNBCVGZSZKGNT-NSHDSACASA-N	305.403	1.691	50	20	DDGD	
Cc1nc(CNC(=O)NNC(=O)CC(C)C)nc2ccccc12	726619393	OAJRRTARNBEQQQ-UHFFFAOYSA-N	315.377	1.815	50	20	DDGD	
CCOc1ccc(CN(C)CC(=O)NNC(=O)C(C)C)cc1	827354208	NTDLQFUHPGPMRE-UHFFFAOYSA-N	307.394	1.321	50	20	DDGD	
CSC(C)(C)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	820115186	YKZKZQNEAZWOBG-UHFFFAOYSA-N	310.375	1.360	50	20	DDGD	
CCN(CC)C(=O)c1ccc(C(=O)NNC(=O)NC2CC2)cc1	729343391	PXRSOIRJJBJGNA-UHFFFAOYSA-N	318.377	1.275	50	20	DDGD	
CCOC(=O)C[C@@H](C)CNC(=O)/C(C#N)=C/c1cnn(C)c1	491174723	IQXXBNMDPHRMEN-XXLSNGBASA-N	304.350	1.033	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cccc(Cl)n1)CC(C)(C)C	823678790	ZLRHZWXLSAVCAF-UHFFFAOYSA-N	312.801	1.474	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12	826446362	ITSVERKSAKYOLV-YRRQLQLVSA-N	310.361	1.602	50	20	DDGD	
COC(=O)Nc1cccc(C(=O)NNC(=S)NC(C)(C)C)c1	728613917	NCIMRWKMVIBMSE-UHFFFAOYSA-N	324.406	1.772	50	20	DDGD	
CC(C)(C)SCC(=O)NNc1ccc(-c2nn[nH]n2)cc1	824124537	UWESWFPGMIWWAU-UHFFFAOYSA-N	306.395	1.842	50	20	DDGD	
COc1ncc(/C=C/C(=O)NNC(=O)c2ccccc2F)cn1	492678500	JDCITJDBKBDIJV-VOTSOKGWSA-N	316.292	1.099	50	20	DDGD	
CCn1nccc1NC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	490969662	FDVULTYSIALLQM-QPEQYQDCSA-N	308.345	1.967	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1cccc(Cl)c1Cl	495891135	IUMIRXFTVYFPQM-UHFFFAOYSA-N	313.162	1.885	50	20	DDGD	
Cc1cccc2sc(NNC(=O)C3(C(N)=O)CCC3)nc12	828362315	HDVJXUHUFFXRJM-UHFFFAOYSA-N	304.375	1.703	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	491405500	NFFNAVZKWLZYIH-UHFFFAOYSA-N	323.252	1.126	50	20	DDGD	
CCC[C@@H](CC(C)C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1	823757149	HXFUVKUTFXUTFR-NWDGAFQWSA-N	318.439	1.031	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCC[C@@H]2CN2CCCC2)cn1	491174177	GMVVWAQVZWVWPW-HTRKUNOGSA-N	313.405	1.414	50	20	DDGD	
C[C@H](COc1ccccc1)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	825848117	XGAJJTVZYDTQPW-BZPMIXESSA-N	321.377	1.209	50	20	DDGD	
CCn1nc(C)cc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	825807803	WKFDVBFSGHCIEX-UHFFFAOYSA-N	312.337	1.148	50	20	DDGD	
COc1cc(C(=O)NN(C)[C@@H](C)CO)ccc1OC(F)F	823988522	UYENRILUASZZIH-QMMMGPOBSA-N	304.293	1.254	50	20	DDGD	
C=C(C)[C@@H]1OCCC[C@@H]1c1nc(-c2ccc(B(O)O)cc2)no1	585055108	RBKALPHLYVFYOY-KBPBESRZSA-N	314.150	1.255	50	20	DDGD	
CCN(CCO)NC(=O)c1nc(Br)sc1C	823879183	HCGDHCXOXHJFFF-UHFFFAOYSA-N	308.201	1.173	50	20	DDGD	
COCCN(C)NC(=O)C1=CCN(C(=O)OC(C)(C)C)CC1	496321490	HRJSCRUJTPNCOQ-UHFFFAOYSA-N	313.398	1.163	50	20	DDGD	
O=C(Nc1cnc2c(c1)CCCC2)c1ccc(B(O)O)c(F)c1	584974111	QTBHITZHCOKAGK-UHFFFAOYSA-N	314.125	1.032	50	20	DDGD	
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H](B(O)O)C1	585063491	AQCKNUZLHFDYFR-NSHDSACASA-N	306.127	1.209	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(Br)cc1F	823983115	LFUDIDLUKZNLIM-ZETCQYMHSA-N	305.147	1.546	50	20	DDGD	
O=C(Cc1csc(-c2ccccc2)n1)N1CC[C@@H](B(O)O)C1	585069838	QEDKYOSPTBQDAB-GFCCVEGCSA-N	316.191	1.428	50	20	DDGD	
CC(C)[C@@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C1(CO)CCC1	491161390	OEWBWAGTMYUFAS-XIEDVDOYSA-N	316.405	1.630	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1csc(-c2ccccc2F)n1	823965502	NYRLFIDYYARKEJ-SECBINFHSA-N	309.366	1.907	50	20	DDGD	
CC(C)CN(C(=O)c1ccc(B(O)O)c(F)c1)C1CCCCC1	584935011	YWHJTWBJWKVGIB-UHFFFAOYSA-N	321.201	1.936	50	20	DDGD	
Cc1cc(/C=C(/C#N)C(=O)NC(CO)CO)c(C)n1CC(C)C	490664066	NRHRLKWOINOZEW-UUASQNMZSA-N	319.405	1.137	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)Nc2ccc(N(C)C)cc2)CO1	827612456	LYDRBCAECWWTMU-PWSUYJOCSA-N	321.381	1.266	50	20	DDGD	
C/C(=C/COC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C)C(=O)O	825745613	ASKALMGLLFGHMG-JHGLROMCSA-N	313.313	1.686	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1c(Cl)nc2ccccn12	737433860	JYGQGRDKOKWJRO-UHFFFAOYSA-N	316.752	1.875	50	20	DDGD	
CCCCOCCCNC(=O)NNC(=O)N=c1cc[nH]cc1	836229868	IPEQNPMRRXCQMO-UHFFFAOYSA-N	309.370	1.046	50	20	DDGD	
Cc1ccccc1C1(C(=O)N2CC[C@@H](B(O)O)C2)CCOCC1	585072227	KIZLVWZDZJBWPB-CQSZACIVSA-N	317.194	1.119	50	20	DDGD	
CCCNC(=O)NNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl	735469111	SKLKPYWZHBUYNJ-UHFFFAOYSA-N	314.729	1.531	50	20	DDGD	
CC1(C)OC[C@@H](CNC(=O)NNc2cccc(C(=O)O)c2)O1	833563676	LTXGOBNJJYOUSJ-LLVKDONJSA-N	309.322	1.162	50	20	DDGD	
CCOC(=O)NNC(=O)c1c[nH]nc1-c1ccc(OC)cc1	490543345	VJSKYXJYXNWRAO-UHFFFAOYSA-N	304.306	1.476	50	20	DDGD	
CC(C)NC(=O)OC1CN(C(=O)[C@@]2(C)C[C@@H]2Br)C1	908215482	WGYXGOJXJIETDB-CABZTGNLSA-N	319.199	1.505	50	20	DDGD	
CC(=O)CCC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	733370488	DQHPLPKTQQOUIK-UHFFFAOYSA-N	300.318	1.003	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNc1cccc(Br)n1	837212898	VYUIAAZOXZTMOF-JGVFFNPUSA-N	300.156	1.712	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)N2CC[C@H](B(O)O)C2)cc1[N+](=O)[O-]	585074060	IKWUWGXJPZLPGH-NSHDSACASA-N	320.154	1.581	50	20	DDGD	
O=C(NCCOCC1CCCC1)NNC(=O)c1ccccc1F	836428185	FVAFFQVMMCNPNJ-UHFFFAOYSA-N	323.368	1.977	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc2c(nc1O)CCCC2	731617418	JQBHQZGEMREWIO-UHFFFAOYSA-N	304.350	1.020	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NC2CCSCC2)cc1	836313623	JAHHPISBNJCESC-UHFFFAOYSA-N	324.406	1.927	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@]2(C)CCCOC2)c1F	837060841	HIHDQCXUKLDFPU-HNNXBMFYSA-N	310.325	1.872	50	20	DDGD	
CO[C@@H]1CCN(S(=O)(=O)CBr)CC1(C)C	832210401	XAIGJTGXIUCONC-MRVPVSSYSA-N	300.218	1.416	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCOC3(CCCCC3)C2)c(F)c1	585030996	NYXQALPTSVQBDZ-OAHLLOKOSA-N	321.201	1.477	50	20	DDGD	
O=C(Cc1c[nH]c2ccc(F)cc12)NNC(=O)[C@H]1CCCCO1	833250310	FFCQXPURGHJTNW-CQSZACIVSA-N	319.336	1.566	50	20	DDGD	
CCn1nc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1C1CC1	831533964	CWQSMEJUYNBRSG-MWLCHTKSSA-N	321.381	1.358	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CSc1nccn1C(C)(C)C	910166657	ZTCCJOCUGZDTLL-SNVBAGLBSA-N	300.428	1.074	50	20	DDGD	
OB(O)c1ccccc1CNCCCCOc1ccc(F)cc1	585018556	YJOOXVBZFIZDNN-UHFFFAOYSA-N	317.169	1.454	50	20	DDGD	
O=C(COCC1CCCC1)NNc1nc(-c2cccnc2)no1	836667144	KDACFQYJWFRKMG-UHFFFAOYSA-N	317.349	1.782	50	20	DDGD	
COC1(CNC(=O)NNc2c(F)cccc2F)CCOCC1	747448100	GDMLRUALBZPRHL-UHFFFAOYSA-N	315.320	1.787	50	20	DDGD	
Cc1ccc2cc(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)[nH]c2c1	843972678	HNDTXQKDHWWBHI-PWSUYJOCSA-N	301.346	1.662	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)Cc1csc(-c2cccc(F)c2)n1	910180208	TWZLBASSJBZGCY-SNVBAGLBSA-N	323.393	1.836	50	20	DDGD	
C[C@H]1C[C@H]1c1ccc(CCC(=O)NNc2nccn(C)c2=O)o1	747945492	JIHGSXVQNVSYLC-CMPLNLGQSA-N	316.361	1.573	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C=NNC(=O)[C@@H]2CCO[C@@H]2C)c1C	842559264	UIUMVLJUWVTKJQ-VXGBXAGGSA-N	321.377	1.683	50	20	DDGD	
CCN(C(C)=O)c1nc(C=NNC(=O)[C@H]2CCO[C@H]2C)cs1	842559053	TTYJSTUYDCNHFS-CABZTGNLSA-N	324.406	1.391	50	20	DDGD	
COc1ccc(CCCC(=O)NN(C)[C@H](C)CO)cc1OC	911444166	BVMOPPIBWDWFCX-GFCCVEGCSA-N	310.394	1.370	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H](C)Cc2cccc(O)c2)n1	919784653	VMGVOSJJNNRQQX-SNVBAGLBSA-N	317.349	1.448	50	20	DDGD	
CCNC(=O)NN=C(C)c1cccc(N2CCCS2(=O)=O)c1	741163488	ULNKWMRTOZCDFU-UHFFFAOYSA-N	324.406	1.270	50	20	DDGD	
Cc1ccnc2ccc(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)cc12	843659942	ZDPWJHVCFMYJOD-YPMHNXCESA-N	313.357	1.729	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(O[C@H]2CC(=O)N2)cc1	840726424	MYDDTWIMEXRVDG-HBWSCVEGSA-N	301.302	1.294	50	20	DDGD	
O=C(NN=Cc1ccc2c(c1)CCO2)[C@@H]1COc2ccccc2O1	917534325	GWIDBRMSGLEQPT-KRWDZBQOSA-N	324.336	1.912	50	20	DDGD	
O=C(NNc1ccccc1F)c1cnc2n(c1=O)CCS2	748050321	ZXXFNCKDJKMLCU-UHFFFAOYSA-N	306.322	1.245	50	20	DDGD	
COC(=O)N1CCC(=NNC(=O)CNc2ccccc2F)CC1	917533271	FQDTWGZJULOFIA-UHFFFAOYSA-N	322.340	1.572	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2ncsc2c1	843639852	KJQZXDHOJAHPHM-PSASIEDQSA-N	305.359	1.482	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(N2CCCC2=O)ccc1F	916716610	IOIFWKJNRSNDIM-UHFFFAOYSA-N	310.285	1.345	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)C1CC1)n1cc(Br)cn1	843752132	KLVXPAJDYLQHOQ-ZETCQYMHSA-N	315.171	1.154	50	20	DDGD	
O=C(NC[C@H]1CCCCN1)NNC(=O)c1ccc(Cl)cc1	841922948	VYODYRZVCMYYSF-GFCCVEGCSA-N	310.785	1.426	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=C1CCC(=O)Nc2ccccc21	842560392	GKCORNNZORHIMJ-GHMZBOCLSA-N	301.346	1.664	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)CC(F)(F)F	918363932	FAKHOVSEWFHAEH-HQJQHLMTSA-N	318.251	1.315	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)N[C@@H]1CCNC1	841941700	OXFYKXOXJRHKCF-MRVPVSSYSA-N	306.263	1.833	50	20	DDGD	
C[C@@H](O)CN(CC(=O)NNC(=O)C(C)(C)C)Cc1ccccc1	744405059	KUCMEZYXWLCCSM-CYBMUJFWSA-N	321.421	1.063	50	20	DDGD	
CC(C)C(=O)N1CCCC[C@H]1C(=O)NNC(=O)CC1CCCC1	749940839	RMPGJDJCFHSXTB-AWEZNQCLSA-N	323.437	1.751	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C(F)(F)C(F)F)c1	749330227	MIFFVUVWWFEPNA-UHFFFAOYSA-N	324.230	1.365	50	20	DDGD	
CCC[C@H](CNC(=O)NNc1ccc(CC(=O)OC)cc1)OC	845226762	FLYQLQSITNVOGS-CQSZACIVSA-N	323.393	1.843	50	20	DDGD	
Cc1csc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1C#N	847185946	PUEXVTIPFAGADH-DTWKUNHWSA-N	308.363	1.506	50	20	DDGD	
Cc1noc([C@@H](C)N(C)C(=O)NNC(=O)c2ccccc2)n1	848643013	PPWPLISHHIWXRA-SECBINFHSA-N	303.322	1.425	50	20	DDGD	
COc1cccc(/C(C)=C/C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	843654906	SXVZCMKPEAFOOA-SBZOKTBKSA-N	318.373	1.671	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(F)c(F)c1F)[C@@H](C)S(C)(=O)=O	841408237	JIUGKIUAALTNDJ-RNFRBKRXSA-N	324.324	1.616	50	20	DDGD	
COC[C@H](NC(=O)NNc1ccc(CC(=O)OC)cc1)C(C)C	845016766	SOISQDOVNPVOMH-AWEZNQCLSA-N	323.393	1.699	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCC[C@@H]1C[C@H]2C=C[C@H]1C2	847404060	SMSIQJJMCDMAEW-YHQUGGNUSA-N	307.394	1.344	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)CC2(C)CC2)cc1	758828520	HJOHGIFMZPCODO-UHFFFAOYSA-N	304.346	1.489	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)c2ccncc2)cnn1CC(C)C	757800757	DWALIUDVLXLSGZ-UHFFFAOYSA-N	316.365	1.709	50	20	DDGD	
COC(=O)[C@@H]1C[C@H](F)CN1C[C@H](CBr)C1CC1	859290865	UCIGSNUPSDNJAO-DCAQKATOSA-N	308.191	1.993	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21	857089827	DZQXYVWPQFZZED-BFHYXJOUSA-N	321.421	1.409	50	20	DDGD	
COCC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1)C1CC1	754259717	RFEYUNOMHOJAAI-AGIUHOORSA-N	311.426	1.260	50	20	DDGD	
O=C(NN=Cc1csnn1)c1nnc(-c2ccccc2)o1	920384729	BNJIACXZTAAOJY-UHFFFAOYSA-N	300.303	1.352	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)Nc2ccon2)cc1OC	757852964	XONREYVKWYHELV-UHFFFAOYSA-N	320.305	1.548	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc2c(c1)C[C@@H](C)O2)C1CC1	855095334	MKRADSAEPZCAOW-ZJUUUORDSA-N	319.430	1.917	50	20	DDGD	
CCS(=O)(=O)C[C@@H](C)NC(=O)NNc1ccc(C)c(F)c1	853733912	LPIJERNJAIKWKE-SNVBAGLBSA-N	317.386	1.583	50	20	DDGD	
CCCC[C@H](C)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855832471	CWWVOYZXXRAMGZ-LBPRGKRZSA-N	313.442	1.903	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@H](C)OCC(C)C	920807222	ALDSLTBQGKRZOV-GFCCVEGCSA-N	324.377	1.283	50	20	DDGD	
O=C(NNC(=O)c1cc[nH]n1)c1ccc(OC2CCCC2)cc1	855359295	MMVPXLUKYCDVFF-UHFFFAOYSA-N	314.345	1.806	50	20	DDGD	
C[C@]1(CNC(=O)c2ccc3nn[nH]c3n2)C[C@H]1Br	857732844	DCXWKNXKPDPCFZ-LDYMZIIASA-N	310.155	1.256	50	20	DDGD	
CCN(C(=O)CNC(=O)NNC(=O)C1CCC1)c1ccccc1	924637241	PCWYWIPYYDUDJG-UHFFFAOYSA-N	318.377	1.170	50	20	DDGD	
COc1cc(CCC(=O)NNC(=O)NC2CCCCC2)on1	854191484	JZUHJPKBUMBXKT-UHFFFAOYSA-N	310.354	1.279	50	20	DDGD	
CC(C)C(=O)NNC(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1	920049219	SQXVTHUENWWJPU-GFCCVEGCSA-N	322.384	1.638	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CC(C)(C)OC[C@@H]2C)cc1	753833551	FKCKZYRSRWZPHH-ZDUSSCGKSA-N	319.405	1.255	50	20	DDGD	
Cn1nccc1COCC(=O)NC[C@@]1(C)C[C@@H]1Br	857388747	VSJKANYXVICCLD-CMPLNLGQSA-N	316.199	1.226	50	20	DDGD	
C[C@]1(CNC(=O)NCc2ccc(C#N)cn2)C[C@@H]1Br	856857499	CXLIRZUINFBGIA-WCQYABFASA-N	323.194	1.926	50	20	DDGD	
Cn1cc(C(=O)NCCCSC#N)c(-c2cccnc2)n1	854362170	DRHJRYDSFRFLAB-UHFFFAOYSA-N	301.375	1.816	50	20	DDGD	
O=C(CC[C@H]1CC1(Cl)Cl)NNC(=O)N=c1cc[nH]cc1	854377307	KOFINGYTGDLADZ-QMMMGPOBSA-N	317.176	1.630	50	20	DDGD	
COCCCC(C)=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1	759197069	PMCWAAHFYGSKPB-BPLDGKMQSA-N	313.442	1.650	50	20	DDGD	
C[C@@]1(CNC(=O)c2c[nH]nc2[N+](=O)[O-])C[C@@H]1Br	857391637	RSNHNRRBDHYLIS-RCOVLWMOSA-N	303.116	1.221	50	20	DDGD	
CCCCCCOc1ccc(C(=O)NNC(=O)CO)cc1OC	753451911	JJMZOFVENQBIEN-UHFFFAOYSA-N	324.377	1.408	50	20	DDGD	
N#CC1=CCN(C(=O)[C@@H]2CCN(Cc3ccccc3)C2=O)CC1	935159473	GPOQAACIHKCYQX-INIZCTEOSA-N	309.369	1.717	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2nnc(C(C)C)s2)n1	857459969	VVTDFSYBOBQASB-UHFFFAOYSA-N	308.367	1.525	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H](C)Cc2ccccc2Cl)nc1O	754452284	RUSIXSPFPYNPBH-QMMMGPOBSA-N	321.768	1.861	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1sc(C)nc1C	758380011	JUKNBEPWLDOWCW-UHFFFAOYSA-N	317.374	1.634	50	20	DDGD	
Cn1ccnc1[C@@H]1CCCN(C(=O)NNC(=O)C(C)(C)C)C1	767809800	NFIRFYLWDFWORJ-LLVKDONJSA-N	307.398	1.386	50	20	DDGD	
C#CCCCC(=O)NNC(=O)N[C@](C)(C1CC1)C(F)(F)F	933557558	ATGWZADZQSJSCJ-GFCCVEGCSA-N	305.300	1.851	50	20	DDGD	
COc1ccc(SCC(=O)NNc2nccnc2OC)cc1	764460801	OTMWMCDJDAJCIU-UHFFFAOYSA-N	320.374	1.729	50	20	DDGD	
CCCCS(=O)(=O)CC(=O)NNc1c(C)cccc1F	935448596	OWIYATLOJBMVMO-UHFFFAOYSA-N	302.371	1.792	50	20	DDGD	
C[C@H](NNC(=O)Cc1cc(F)cc2c1OCOC2)C(F)(F)F	862306167	FNRJYIHLHAVLFX-ZETCQYMHSA-N	322.258	1.806	50	20	DDGD	
CC1(C)C[C@H]1CNC(=O)NNC(=O)CSc1ccccc1O	763507212	PIMYXOFKZVPDEQ-JTQLQIEISA-N	323.418	1.861	50	20	DDGD	
COCCCn1cc(C(=O)NNC(=O)c2cc(C)cs2)cn1	862480899	OFMBKVRJIRGXKO-UHFFFAOYSA-N	322.390	1.364	50	20	DDGD	
CCCC(=O)N1CCC[C@@H](C(=O)NN[C@@H](C)C(F)(F)F)C1	862310461	XWFKWFPCEZTXSG-VHSXEESVSA-N	309.332	1.597	50	20	DDGD	
CC(=NNC(=O)COc1cc(C)ccc1C)c1ccnn1C	765994372	VDPCFXFSMWSDKX-UHFFFAOYSA-N	300.362	1.956	50	20	DDGD	
CNc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)CC(F)(F)F	1115872644	KTHRFGOOEUITKK-UHFFFAOYSA-N	320.227	1.350	50	20	DDGD	
CSc1cccc(NC(=O)C(=O)NNC(=O)C(C)C)c1C	763831345	GCSJSXCLNGTXBY-UHFFFAOYSA-N	309.391	1.459	50	20	DDGD	
CN(CC(=O)NNc1cncc(Br)c1)C1CCC1	1118968982	VXAPOZNVUDHTER-UHFFFAOYSA-N	313.199	1.772	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H](C)c1ccc(Cl)c(F)c1	1116431601	INSYOECSRBVVCU-LURJTMIESA-N	317.704	1.044	50	20	DDGD	
CCC1(CC)C(=NNC(=O)C(=O)Nc2ccccn2)C[C@@H]1OC	762604995	RXAXGYDLHYZPBH-LBPRGKRZSA-N	318.377	1.717	50	20	DDGD	
O=C(CC1CC(F)(F)C1)NNC(=S)Nc1ccccn1	874956472	YUQRBXOVCNKJPJ-UHFFFAOYSA-N	300.334	1.835	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CCNC(=O)c1ccco1	772866771	KYRHKOZGGCSCSQ-UHFFFAOYSA-N	317.349	1.456	50	20	DDGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)c1ccc2nn[nH]c2c1	771592607	PGBRTERBYIHTBQ-UHFFFAOYSA-N	316.252	1.762	50	20	DDGD	
CCn1cc(-c2nn(C)cc2C(=O)NNc2ccccn2)cn1	779054002	OJXICEZQSWSJFB-UHFFFAOYSA-N	311.349	1.455	50	20	DDGD	
CC#CCCNC(=O)NNC(=O)NCc1ccc(Cl)cc1	776205763	PTJHWVCCLYMZFY-UHFFFAOYSA-N	308.769	1.767	50	20	DDGD	
Cc1coc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)c1C	1117333089	VJRVYFXJKSLYPQ-TXEJJXNPSA-N	323.393	1.157	50	20	DDGD	
O=C(NC[C@@H]1COC2(CCCC2)O1)NNc1ccc(F)cn1	773738581	PNTXFOWMUIKSHB-LLVKDONJSA-N	310.329	1.533	50	20	DDGD	
C[C@@H](NCC(=O)NNC(=O)C1CC1)c1c(F)cccc1Cl	775550147	YDBFZWDEIANKSF-MRVPVSSYSA-N	313.760	1.687	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)CNc1ccc(C)cc1C)C(C)C	771720932	ICLQVCRSEMEYQN-OAHLLOKOSA-N	307.394	1.534	50	20	DDGD	
C[C@H]1CCN(CCNC(=O)NNc2ccc(C(C)(C)C)nn2)C1	1119982310	ICYGXKSNJBUDAD-LBPRGKRZSA-N	320.441	1.742	50	20	DDGD	
COC/C(C)=C\C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874954038	PWFXWNDMIXTFEZ-LUAWRHEFSA-N	322.434	1.663	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)/C=C1\CC[C@@H](C)C1	772186945	WYQPBWNXKXUWGA-LZEMIWRJSA-N	310.394	1.858	50	20	DDGD	
CC(C)Oc1ncc(Cl)cc1NC(=O)NNC(=O)CCO	1117793712	YXIDHXIBCKXBRX-UHFFFAOYSA-N	316.745	1.057	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)Nc1cscc1Cl	873805072	UJQKIWHLAYKGJG-UHFFFAOYSA-N	301.755	1.288	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)N[C@H]1CCCOCC1	776635494	JSMGMECCEUDFBV-NSHDSACASA-N	323.418	1.750	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccc(OC(F)F)cn1	773243910	MLESEUYXQQKNFK-UHFFFAOYSA-N	322.271	1.082	50	20	DDGD	
COC(=O)Cn1cccc1C=NNC(=O)Cc1csc(C)n1	776179185	NZIKFXWLYOVKOH-UHFFFAOYSA-N	320.374	1.119	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CCO[C@H](C(C)C)C1	778587042	NGSSUXOYPIGHTN-AWEZNQCLSA-N	305.378	1.706	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)N[C@@H]1C[C@@H]2CC[C@H]1O2	1123837460	NTYMJSJZPYHTFD-CUOATXAZSA-N	314.345	1.432	50	20	DDGD	
Cc1cscc1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	772167853	NFVDKRHVVZKXTM-JTQLQIEISA-N	312.391	1.795	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc(C(F)F)c1	772090055	JQGVLHUGOQTUBG-QMMMGPOBSA-N	314.288	1.727	50	20	DDGD	
CS[C@@H](C)CCC(=O)NNc1nc2ccccc2c(=O)n1C	773379259	PWDFQDHDQQNFCN-JTQLQIEISA-N	320.418	1.908	50	20	DDGD	
C#CCOc1ccccc1NC(=O)C(=O)NNc1ccccc1	773466421	IBOXSGUSVBGTLM-UHFFFAOYSA-N	309.325	1.780	50	20	DDGD	
CC(C)C[C@@H](C)OCCC(=O)NNC(=O)C1CCOCC1	883065328	IFXPGBYQGFLWBS-GFCCVEGCSA-N	300.399	1.402	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C/C=C/c1cccc(F)c1	884402374	REODNROLMFZQGJ-VUZFLJBNSA-N	319.380	1.909	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCCn2ccnc2)c1	780800720	CNCCCFLKZQHQFC-UHFFFAOYSA-N	302.334	1.593	50	20	DDGD	
O=S(=O)(CBr)NCc1cn2ccccc2n1	782402134	MIEQALKQOXXREM-UHFFFAOYSA-N	304.169	1.106	50	20	DDGD	
N#Cc1ccc(NNC(=O)N[C@H]2CCN3CCCC[C@H]23)nc1	887791186	FUGXTMPKOKNMHD-QWHCGFSZSA-N	300.366	1.206	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)NC[C@H]1C=CCC1	883479738	HHLLVPHGOWMQQC-ZDUSSCGKSA-N	312.373	1.938	50	20	DDGD	
CC[C@@H](C)C(=O)NN=Cc1c[nH]ccc1=NC(=O)C(C)(C)C	783832380	ILAZOMWXTIPFRK-LLVKDONJSA-N	304.394	1.984	50	20	DDGD	
CN(CC(=O)N1CCCC1)C(=O)/C(C#N)=C\c1ccc(F)cc1	785095294	SSIFJUSHTKXDKF-UVTDQMKNSA-N	315.348	1.813	50	20	DDGD	
Cc1cccc(CO[C@@H](C)C(=O)NNC(=O)c2cccnn2)c1	882056314	PVQUVZPSIMLWOO-LBPRGKRZSA-N	314.345	1.151	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@@]2(CCSC2)C1)c1cccnn1	883852986	ZNMJEHXVZGMUSV-CQSZACIVSA-N	321.406	1.050	50	20	DDGD	
O=C(NNc1cccc(Cl)c1)c1cccn2c(O)nnc12	780858763	AJODBNDFZDFICJ-UHFFFAOYSA-N	303.709	1.845	50	20	DDGD	
Cc1nc2ccccn2c1CNC(=O)NNC(=O)OC(C)(C)C	898973815	WWTVRECQGZLKBR-UHFFFAOYSA-N	319.365	1.882	50	20	DDGD	
CC(=O)NCc1ccc(C(=O)NNc2ncncc2Cl)cc1	781820186	NRWRYRLDAQHZFY-UHFFFAOYSA-N	319.752	1.523	50	20	DDGD	
CON(CC(=O)NNC(=O)c1cccs1)Cc1ccccc1	780343685	AJHIMVYCEKQWEO-UHFFFAOYSA-N	319.386	1.573	50	20	DDGD	
CCc1cnccc1[C@@H](C)N[C@@H](C)C(=O)NNC(=O)CC(C)C	783017174	PWCBYDGZFOSWPQ-OLZOCXBDSA-N	320.437	1.877	50	20	DDGD	
Nc1nccc(C(=O)NNc2cccc(Cl)c2)c1[N+](=O)[O-]	791203893	FXVZYKNFHKHZHX-UHFFFAOYSA-N	307.697	1.982	50	20	DDGD	
C[C@@H](CBr)COC(=O)c1cnn2c1OCCC2	795723208	UGNIIQJNFQONGT-QMMMGPOBSA-N	303.156	1.853	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCc2ccccc2O)n1	792952227	IISJMMXANJWBGG-UHFFFAOYSA-N	300.318	1.240	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)/C=C\c2ccc(O)c(O)c2)n1	794081316	CGWQLHPIIVPTOO-VURMDHGXSA-N	313.313	1.276	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNC(=O)COc1ccccc1OC	791009295	DOIVGFCGQVNFHA-LBPRGKRZSA-N	319.361	1.206	50	20	DDGD	
O=C(NCCOCCF)NNC(=O)c1ccccc1Cl	1328185229	ODAILKYYLNCPBN-UHFFFAOYSA-N	303.721	1.270	50	20	DDGD	
CCOC(=O)/C(C#N)=C/c1ccc(OC)c(OCC(N)=O)c1	1248407217	IHRZEFCQKGSMCY-IZZDOVSWSA-N	304.302	1.029	50	20	DDGD	
Cn1nc2ccccc2c1C(=O)NNC(=O)CCc1ccccc1	1320424395	SSKZXMPFGQJHGQ-UHFFFAOYSA-N	322.368	1.967	50	20	DDGD	
CC(C)CCO[C@@H](C)C(=O)NNc1nncc(N)c1Cl	1324009843	YMCVGDNQDIBFQJ-QMMMGPOBSA-N	301.778	1.607	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)c2cccnn2)[C@@H](C)C1	1333197652	HAHPMOKZBIFKOD-WDEREUQCSA-N	304.350	1.562	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCc2ccoc2C)cc1	1251316080	JHQATLCCJVZVJN-UHFFFAOYSA-N	303.318	1.741	50	20	DDGD	
C=C(C)CN(C)c1nnnn1C[C@]1(C)C[C@H]1Br	1334617337	RSHKBNWZAZVXNW-KOLCDFICSA-N	300.204	1.859	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2CCC[C@H]2OC)cc1	1261296006	OFCPEVAODKBEJU-CHWSQXEVSA-N	307.350	1.207	50	20	DDGD	
C[C@H]1CC(=O)CC[C@H]1C(=O)NNC(=S)Nc1ccccn1	1349007383	UGPBJGREECBOHD-GXSJLCMTSA-N	306.391	1.405	50	20	DDGD	
Cc1conc1NC(=O)NNC(=O)c1cc(Cl)ccc1O	1342420557	LYDXSQWIJSFYCD-UHFFFAOYSA-N	310.697	1.809	50	20	DDGD	
Cc1ccccc1NNC(=O)CCCn1ccc(C(=O)O)n1	1600584389	FITCXEGDWKPUSW-UHFFFAOYSA-N	302.334	1.813	50	20	DDGD	
O=C(O)c1coc(C(=O)OCCCI)c1	1608988130	RXIZCPIHHUUUEW-UHFFFAOYSA-N	324.070	1.960	50	20	DDGD	
Cc1cccc(NNC(=O)Nc2ccn(C(C)(C)C(=O)O)n2)n1	1600542227	CLEUFDMTXKDHQN-UHFFFAOYSA-N	318.337	1.555	50	20	DDGD	
CC[C@H](CC(F)F)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1604015886	NVZOEJWZVLGPSB-MRVPVSSYSA-N	310.308	1.991	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@H](CCC(C)(C)C)C(=O)O)cn1	1605491210	RAJPVIJVMQKQPL-FFXRNRBCSA-N	318.377	1.723	50	20	DDGD	
Cn1c(NNC(=O)Cc2cccc(C(=O)O)c2)nc2ccccc21	1608091441	LIRIQRWGGDPBAC-UHFFFAOYSA-N	324.340	1.957	50	20	DDGD	
CC(C)[C@H](F)C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1609087610	CPYVCPHFCJRUGL-JTQLQIEISA-N	312.736	1.957	50	20	DDGD	
Cc1nn(C)c(Cl)c1C(=O)NNc1cccc(C(=O)O)c1	1610567860	FXWWNLAXMZOPND-UHFFFAOYSA-N	308.725	1.837	50	20	DDGD	
NC1(CNC(=O)NNc2cccc(C(=O)O)c2F)CCCCC1	1610643203	ODZQGCKWAASJCY-UHFFFAOYSA-N	324.356	1.812	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1nc(C)sc1C	1549312040	ACHUXCIFNYCEMI-STQMWFEESA-N	322.434	1.463	50	20	DDGD	
NC1(C(=O)NNC(=O)NCc2cccc(C(F)(F)F)c2)CC1	1574268896	JYECTQNJVYINQA-UHFFFAOYSA-N	316.283	1.027	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](N)CCSC)c([N+](=O)[O-])c1	1579230648	USBMADPWNMEQQT-SECBINFHSA-N	314.367	1.127	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1	1581207154	PFXRXEZSPRGJQN-UHFFFAOYSA-N	301.285	1.399	50	20	DDGD	
CC(C)[C@H](C(=O)O)C(=O)NNc1ccc(Br)nc1	1588807982	HUWUUQSYBNNIEC-VIFPVBQESA-N	316.155	1.644	50	20	DDGD	
C=C(CBr)COC(=O)Cn1ccc(C(=O)O)n1	1588605205	CRGCRWQMZNXXPW-UHFFFAOYSA-N	303.112	1.076	50	20	DDGD	
CCC(CC)(C(=O)O)C(=O)NNC(=O)c1ccc2c(c1)OCO2	1589476050	SJNKIPVSHISHPL-UHFFFAOYSA-N	322.317	1.067	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNc1ncccc1C(=O)O	1589323541	LPYZKDUVLBMWLY-OUAUKWLOSA-N	306.366	1.484	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2CCC[C@H]2CC(=O)O)C[C@@H]1Br	1593755490	RQRRLHRDUMDLDL-NHRVJRKFSA-N	304.184	1.920	50	20	DDGD	
COc1cccc(NCC(=O)NN=CCC(C)(C)C(=O)O)c1	1599679705	CFLKROQICSMWPP-UHFFFAOYSA-N	307.350	1.710	50	20	DDGD	
CCCN1CC[C@@H](NC(=O)NNc2cccc(C(=O)O)c2F)C1	1595906694	IVVSWODEUPGYQB-SNVBAGLBSA-N	324.356	1.634	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2ccc(CC(=O)O)cc2)[C@@H](C)O1	1594257485	GWTXUSSYUOJITN-GIPNMCIBSA-N	307.350	1.506	50	20	DDGD	
CN(C)Cc1cc(C(=O)NNc2cccc(C(=O)O)c2F)no1	1598246877	DJXFQKOGVCURAU-UHFFFAOYSA-N	322.296	1.330	50	20	DDGD	
O=C(O)c1cnc2c(C=NNC(=O)[C@@H]3CCCS3)cccn12	1776081739	FDEMEUSUSWWIIV-NSHDSACASA-N	318.358	1.378	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2ccnn2CC(F)F)cc1	1776101529	MDSYODODUSMBNS-UHFFFAOYSA-N	322.271	1.610	50	20	DDGD	
O=C(O)c1ccc2c(c1)CCCC2=NNC(=O)c1cnsn1	1776105344	ZLVOHVICABUFRD-UHFFFAOYSA-N	316.342	1.707	50	20	DDGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1c(C(=O)O)cnn1C	1776119713	JLAQCFBEJILDIH-TZHJSBJOSA-N	316.361	1.720	50	20	DDGD	
COc1ccc(C)c(C=NNC(=O)c2cnn(C)c2)c1C(=O)O	1776044693	PWYCCRMPCWFTTO-UHFFFAOYSA-N	316.317	1.199	50	20	DDGD	
CC[C@@H](NC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl	1796805878	CGKQMNHJDYXDON-ROHXPCBUSA-N	319.808	1.157	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccccc1F	15795276	JBNFROVRKKLRMD-CQSZACIVSA-N	316.288	1.427	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)c1	158808908	AFMHOJURIYTTIR-LBPRGKRZSA-N	313.361	1.523	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c([N+](=O)[O-])c1	155332488	NDORYFPMAOJOKA-BREBYQMCSA-N	307.306	1.614	50	20	DDGD	
CCn1cnnc1CNS(=O)(=O)c1ccc(CCl)cc1	380300549	SLYRLDXCUHTCHG-UHFFFAOYSA-N	314.798	1.515	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H]1CCCCN1C(=O)c1ccccc1	104328612	FDTCXMOJFDAZFY-ZDUSSCGKSA-N	318.377	1.032	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(NC(=O)C2CC2)ccc1C	57545075	JUSRUJDVRRDAFB-UHFFFAOYSA-N	306.322	1.736	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cc(-c2ccccc2)on1	103424324	RBQLPOPERSHKQE-UHFFFAOYSA-N	322.324	1.740	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCCNC(=O)C2CCC2)n1	177022436	OVKDOCQTHLPPGK-UHFFFAOYSA-N	320.397	1.026	50	20	DDGD	
O=C(NCc1ccc(F)c(Cl)c1)NNC(=O)c1ccc[nH]1	102046358	YTRDTBMVRQFLIF-UHFFFAOYSA-N	310.716	1.951	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CC[C@@H]2CCCO2)c1O	54144272	XFYDFTFBZVAPGA-JTQLQIEISA-N	308.334	1.121	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(C)n(C(C)C)c1C	65207649	NISAAFDCLXIFKD-UHFFFAOYSA-N	310.398	1.666	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2ccc[n+]([O-])c2)c1C	21297604	CSBHPFLOMIIRGO-UHFFFAOYSA-N	316.386	1.568	50	20	DDGD	
Cc1c(C(=O)NNC(=S)N[C@H](C)C2CC2)cccc1[N+](=O)[O-]	175553811	ZFEFBVAWULTCRC-SECBINFHSA-N	322.390	1.811	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)NC[C@H]1CC=CCC1	69240774	VSUWYHVXCRIBGB-LBPRGKRZSA-N	321.352	1.891	50	20	DDGD	
Cc1nn(C)c2nc(C3CC3)cc(C(=O)NNC(=O)C3CC3)c12	29509403	LALNRLFERKIUEY-UHFFFAOYSA-N	313.361	1.325	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)ncn1	172274870	VQBCTRXAUZLQOB-LLVKDONJSA-N	303.366	1.019	50	20	DDGD	
COC[C@@H](C)NC(=S)NNC(=O)c1cccc2ncccc12	25435688	DACRPCDTNKMYIT-SNVBAGLBSA-N	318.402	1.379	50	20	DDGD	
CCOC(=O)N[C@@H](C(=O)NNC(=O)OC(C)(C)C)C(C)C	67954196	OUTVHCAJRKJMAC-SECBINFHSA-N	303.359	1.313	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cn(C)cn2)c1C	178155451	VYKCETCHIUKMTN-GFCCVEGCSA-N	316.361	1.265	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NCCn2ccnc2)nn1	118563251	NAXKGTCGFWFXNK-UHFFFAOYSA-N	303.370	1.297	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1Cc1ccccc1)NC1CC1	63660423	XVHMJJVCIHUARH-CQSZACIVSA-N	302.378	1.144	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)[C@@H]1C[C@@H]1C1CC1	125612841	FHFBDTYCVWESIK-GHMZBOCLSA-N	306.387	1.678	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNc2cc(Cl)nc(N)n2)cn1	183520283	FADLPEVIQPOUHQ-UHFFFAOYSA-N	309.761	1.421	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NNC(=O)Cc1ccncc1	127334483	MIWHBRAFGIKLNM-QWHCGFSZSA-N	315.398	1.945	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1	72576481	FXECQKCVTWLYOW-UHFFFAOYSA-N	315.329	1.605	50	20	DDGD	
CC(=O)N[C@H](C)C(=O)NNC(=O)Cc1ccc2ccccc2c1	77230302	NSERBOZOQXDEPX-LLVKDONJSA-N	313.357	1.054	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)c1c[nH]c2ccccc12)C(C)C	74930525	HNWPAMPTACREOO-AWEZNQCLSA-N	318.377	1.783	50	20	DDGD	
CCC[C@@H](C)CC(=O)NNC(=O)COc1ccc(C#N)cc1	125721215	COZCKBDWCFSBJT-GFCCVEGCSA-N	303.362	1.911	50	20	DDGD	
O=C(Cn1ccccc1=O)NNc1nc(-c2ccccc2)no1	76464340	BQSJHSACMMZLEK-UHFFFAOYSA-N	311.301	1.042	50	20	DDGD	
COCCCN(C)CCNC(=O)NNc1ccccc1Cl	74616067	UFVMOAVEMFMVPQ-UHFFFAOYSA-N	314.817	1.934	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cnc(C)s2)c(C)c1	76960410	KRVMEEXQNVDPTQ-UHFFFAOYSA-N	318.402	1.941	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNC(=O)C(C)(C)C)Cc1ccccc1	79221207	MRQGZCKMJHESEI-AWEZNQCLSA-N	320.437	1.536	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNc2cccc(F)c2)c1	120819908	GOEXKRBUANFEDT-UHFFFAOYSA-N	303.293	1.916	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1cccc(OCCF)c1	186622909	SMDFXHAHOVLSOD-UHFFFAOYSA-N	306.297	1.830	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCc1ccco1	73117597	GXKQTZBPGGQDNF-JTQLQIEISA-N	321.308	1.717	50	20	DDGD	
C[C@@H](NC(=O)CC(C)(C)C)C(=O)NNc1ccc([N+](=O)[O-])cc1	187066238	BYXGYLJEMXHGEA-SNVBAGLBSA-N	322.365	1.979	50	20	DDGD	
Cc1nc(CC(=O)NNC(=O)CCc2ccccc2O)cs1	78797825	DDGDAIPJIWOLNQ-UHFFFAOYSA-N	319.386	1.480	50	20	DDGD	
Cc1nc(CC(=O)NNc2cc(Cl)nc(N)n2)c(C)s1	133976881	PWDLBQUXAXCGJH-UHFFFAOYSA-N	312.786	1.471	50	20	DDGD	
Cn1c(=O)n(CCC(=O)NNc2ccccn2)c2ccccc21	181220558	XCLXQFCDYISFIT-UHFFFAOYSA-N	311.345	1.268	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1ccc(F)cc1[N+](=O)[O-]	133376544	RJNHLDKHCCODSI-UHFFFAOYSA-N	322.252	1.471	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)Nc1cccc(F)n1	134238285	BPTHXIPSMJWITB-UHFFFAOYSA-N	318.308	1.712	50	20	DDGD	
Cc1cc(C)cc(NC(=O)C(=O)NNc2ccnc(F)c2)c1	190307087	ZJRDDYAJSCDMKH-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2cccs2)n[nH]1)c1ccnnc1	133290300	PLFGJUJAKITRID-UHFFFAOYSA-N	314.330	1.003	50	20	DDGD	
C[C@@H](CO[C@H]1CCOC1)NC(=O)/C(C#N)=C\c1ccc(O)cc1	194735255	DWCLMBWZHBBQRA-OVHXWXKMSA-N	316.357	1.609	50	20	DDGD	
Cc1cccc(-c2nc(CC(=O)NNC(=O)N(C)C)cs2)c1	194928743	PFBXGBYBYARABV-UHFFFAOYSA-N	318.402	1.963	50	20	DDGD	
CC(C)CC1(CNC(=O)NNC(=O)C(=O)NC2CC2)CCCC1	88631425	OYTLHHSCEVNGLR-UHFFFAOYSA-N	324.425	1.202	50	20	DDGD	
COC(=O)c1occc1/C=C(/C#N)C(=O)Nc1ccn(C)n1	134490349	FATUDYOFBIEQKJ-YFHOEESVSA-N	300.274	1.345	50	20	DDGD	
O=C(C[C@H]1CCCOC1)NNC(=O)c1cccc([N+](=O)[O-])c1	194968015	MWDGPRONHMBWBY-SNVBAGLBSA-N	307.306	1.173	50	20	DDGD	
C[C@@H]1CN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C[C@H](CO)O1	190131828	LJMFFEUZZWJMRO-MXIBDEQYSA-N	303.318	1.541	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@H]1CSCCS1)c1ccccc1	264628074	KZDXDGGOGPIJRI-LBPRGKRZSA-N	324.471	1.960	50	20	DDGD	
Cc1c(NNC(=O)[C@H](C)N2CCSCC2)cccc1[N+](=O)[O-]	269647505	AZKCLPKXVUDWPD-NSHDSACASA-N	324.406	1.784	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cn(CC(F)(F)F)nc1C	268785531	VTUVOZYQNDHGQR-UHFFFAOYSA-N	321.328	1.049	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccnn2CC(F)F)cc1	278944947	KRVLKUNVFOZDMX-UHFFFAOYSA-N	322.315	1.785	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccnc(O[C@H]2CCOC2)c1	273510551	QTTMQVNEJTWEDB-LBPRGKRZSA-N	321.377	1.447	50	20	DDGD	
O=S(=O)(CBr)NC[C@@H](O)c1ccccc1F	271376909	JKZVQIJWRFVZGR-SECBINFHSA-N	312.160	1.131	50	20	DDGD	
CC(C)c1nn(C)cc1C(=O)NNc1cc(Cl)nc(N)n1	274721728	CAGWFMNWYHDDAX-UHFFFAOYSA-N	309.761	1.326	50	20	DDGD	
CC(C)(C)OC(=O)c1ccc(C(=O)NNC(=O)C(C)(C)O)cc1	278040587	VRNOMPUTOOVJQU-UHFFFAOYSA-N	322.361	1.174	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H](C)N(C)CC(F)(F)F	277552313	STYZEVASRWWMLR-JTQLQIEISA-N	317.311	1.639	50	20	DDGD	
Cn1cc(-c2nn(C)cc2C(=O)NNc2ccc(F)cc2)cn1	376999300	WJQSCMDYZSNISL-UHFFFAOYSA-N	314.324	1.717	50	20	DDGD	
Cc1n[nH]cc1CNC(=O)NNC(=O)C(C)(C)c1ccccc1	274387617	NSWASLYSAVUOGK-UHFFFAOYSA-N	315.377	1.526	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)COc2ccccc2F)no1	270632847	DKGRURGHROGCJD-UHFFFAOYSA-N	321.308	1.777	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCNC(=O)[C@H]1c1ccccc1C	375192993	MGPYTOQLZKPFKF-BMOGTNHUSA-N	313.357	1.439	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H]1C[C@]12CCOC2	373400059	VCVRRBGPWIDXFF-DYVFJYSZSA-N	318.373	1.202	50	20	DDGD	
COCc1cnc(NC(=O)NNc2nccnc2OC)s1	287471345	IAKOJZANXHKEKN-UHFFFAOYSA-N	310.339	1.237	50	20	DDGD	
O=C(NCC1(C2CC2)CC1)NNc1ccc(-n2ccnc2)nn1	286811269	UEVBZNVNJPVXJR-UHFFFAOYSA-N	313.365	1.479	50	20	DDGD	
CC(C)c1nnc2ccc(NC(=O)NNC(=O)C3CC3)cn12	282972280	ZCHHWUCLZJYGDX-UHFFFAOYSA-N	302.338	1.415	50	20	DDGD	
C[C@H](NC(=O)NNc1ncccn1)[C@@H](c1ccccc1)N(C)C	287966994	JCQJZBGVWVBDCA-JSGCOSHPSA-N	314.393	1.794	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)N(C)CC(F)(F)F)nc(C)n1	287365375	BKZRWQBJKDVSRE-MRVPVSSYSA-N	305.304	1.419	50	20	DDGD	
C[S@@](=O)C1(CNC(=O)NNc2cccc(F)n2)CCC1	287288223	UKSUEIWGGJIXEB-HXUWFJFHSA-N	300.359	1.148	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@@H]1CC[C@H](C(N)=O)O1	281224467	OOISWJSKVWAHBI-OLZOCXBDSA-N	314.345	1.019	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCNC(=O)C2)c(Cl)c1	802051114	NTIBPTPJPCTLGA-SECBINFHSA-N	324.768	1.327	50	20	DDGD	
CC(C)CCCNC(=O)NNC(=O)COc1ccccc1F	298424999	HIPHDXAHXBPMEW-UHFFFAOYSA-N	311.357	1.971	50	20	DDGD	
Cc1cccc(C)c1NCC(=O)NNC(=O)[C@@H]1CCCCO1	295341984	IBGZIRALELKPEE-ZDUSSCGKSA-N	305.378	1.432	50	20	DDGD	
O=C(NNC(=O)c1csc(O)n1)Nc1ccc2c(c1)OCO2	802107769	ZQFQGFNNPLDPKI-UHFFFAOYSA-N	322.302	1.044	50	20	DDGD	
CC(C)=C[C@H]1[C@@H](C(=O)NNC(=O)N=c2cc[nH]cc2)C1(C)C	802028537	BEIAKRVIDIVBGA-STQMWFEESA-N	302.378	1.895	50	20	DDGD	
CSC1(C=NNC(=O)[C@@H](C)CN2C[C@H](C)O[C@H](C)C2)CC1	800808827	RTLKYNQPAIOBHQ-RWMBFGLXSA-N	313.467	1.729	50	20	DDGD	
CCSCc1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)no1	295347830	IJVYBVNEHNTJMU-NSHDSACASA-N	313.379	1.258	50	20	DDGD	
COCc1ncsc1C(=O)NNC(=O)CNc1ccccc1	806354924	JWHMRUQRJKCPDW-UHFFFAOYSA-N	320.374	1.163	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@H]1CCc2ccccc2C1	291912013	QVKKPTCISZOWRH-KBPBESRZSA-N	303.362	1.053	50	20	DDGD	
COc1cccc(C(=O)CCCC(=O)NNC(=O)C2CCC2)c1	293798508	QZSJFEZFAFHDTK-UHFFFAOYSA-N	318.373	1.996	50	20	DDGD	
CN(C)CCN1C(=O)C(=NNC(=O)C(C)(C)C)c2ccccc21	807964091	WFSCUMOIYJPXQE-UHFFFAOYSA-N	316.405	1.461	50	20	DDGD	
COc1ccc(COCCCC(=O)NNC(=O)CC2CC2)cc1	294294102	WKIMVMWPQMODGE-UHFFFAOYSA-N	320.389	1.940	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1	800334935	UZVAJWXHFLOMEH-IGJMFERPSA-N	309.322	1.860	50	20	DDGD	
O=C(NNc1cnccn1)[C@@H](O)c1cccc(C(F)(F)F)c1	803119186	SBAAIRHJCZFBJP-NSHDSACASA-N	312.251	1.672	50	20	DDGD	
CCOc1ccc(NNC(=O)C(=O)c2c(C)nn(C)c2C)cc1	294451548	UIBPAJQPLAZXBV-UHFFFAOYSA-N	316.361	1.762	50	20	DDGD	
CCCCCS(=O)(=O)CC(=O)NNc1ncc(F)cc1F	296807245	BYPXPZSWJPYSME-UHFFFAOYSA-N	321.349	1.408	50	20	DDGD	
Cc1nn(C)c(C)c1CCC(=O)NNc1ncc(F)cc1F	297081573	XQEOMIYBXDNSPW-UHFFFAOYSA-N	309.320	1.786	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)Nc2cccnc2)cc1	804030506	JIGRKVNKLBGFKS-UHFFFAOYSA-N	311.301	1.185	50	20	DDGD	
O=C(NCc1ccnc(C(F)(F)F)c1)NNC(=O)C1CCC1	298419084	LEBRVJMZECIRQR-UHFFFAOYSA-N	316.283	1.731	50	20	DDGD	
CC(=NNC(=O)c1nnc(O)c2ccccc12)c1csnn1	814739750	COVMLXUOTURUMX-UHFFFAOYSA-N	314.330	1.341	50	20	DDGD	
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NNc1cnnn1C	816769944	DAUKPYZNNQIUMZ-VIFPVBQESA-N	309.757	1.688	50	20	DDGD	
CC1(C)CC(=NNC(=O)c2cnccn2)c2cc(O)ccc2O1	814794639	JZTXXELLCLIUCC-UHFFFAOYSA-N	312.329	1.877	50	20	DDGD	
CC(C)[C@H](O)C(=O)NNC(=O)c1cc(-c2ccccc2)on1	813389188	MMJLKGKCBAOIES-ZDUSSCGKSA-N	303.318	1.120	50	20	DDGD	
COCC(=NNC(=O)Cc1cc[nH]n1)c1ccc(Cl)cc1	814954785	NZGKHJNWSDRYKF-UHFFFAOYSA-N	306.753	1.773	50	20	DDGD	
CSCc1cccnc1C(=O)NNC(=S)NC(C)(C)C	810551430	WPHHUIMQFSGWLW-UHFFFAOYSA-N	312.464	1.852	50	20	DDGD	
CCc1nc(C)c(CNC(=O)NNC(=O)Cc2cccnc2)o1	813875902	RXVFZKNLNJUXLL-UHFFFAOYSA-N	317.349	1.014	50	20	DDGD	
O=C(CCCc1ccccc1)NN=C1CCS(=O)(=O)CC1	814833547	LPOYPMJPWMEGLC-UHFFFAOYSA-N	308.403	1.690	50	20	DDGD	
CC(C)Oc1ncccc1C(=O)NNC(=O)NCc1ccco1	819163395	JOOKXEPXJGDXJP-UHFFFAOYSA-N	318.333	1.606	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNC(=O)CC3CC3)(CC1)CC2	819126629	ROOMZESCZMBLRW-UHFFFAOYSA-N	308.378	1.448	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1COc2cc(F)ccc21	814854570	NCILUKKHLJIYPE-UHFFFAOYSA-N	307.325	1.343	50	20	DDGD	
C[C@H]1CCC[C@H]1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	824925180	BEZRXFQONKSMDJ-JOYOIKCWSA-N	314.349	1.064	50	20	DDGD	
CC[C@@H]1CN(C(=O)/C(C#N)=C\c2cnn(C)c2)C[C@@H](CC)O1	491010246	LTHYPDDCVFIFCU-CGHRZIEDSA-N	302.378	1.743	50	20	DDGD	
Cc1cc(NNC(=O)C2(CNC(=O)OC(C)(C)C)CC2)ncn1	495430218	SMCXDPKLPIIKEU-UHFFFAOYSA-N	321.381	1.533	50	20	DDGD	
CN1CCCC[C@@H](C(=O)NNc2cc(C#N)cc(Cl)n2)C1=O	821473938	BLCGFIZRYCQLBN-JTQLQIEISA-N	321.768	1.308	50	20	DDGD	
CC(C)(C)OCCCNC(=O)NNC(=O)c1ccccc1O	822029857	LOHLDUVQLFAPNL-UHFFFAOYSA-N	309.366	1.541	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cccc(NC(=O)OCCOC)c1	495269962	JCOQOSXNSCOISR-UHFFFAOYSA-N	324.337	1.444	50	20	DDGD	
CC(C)C(Cn1cccn1)=NNC(=O)CNC(=O)OC(C)(C)C	495595791	QDFPSGROJGMENV-UHFFFAOYSA-N	323.397	1.536	50	20	DDGD	
Cn1c(=NNC(=O)COc2cccnc2)sc2ccccc21	728065423	QNBVRTNCKKVGGF-UHFFFAOYSA-N	314.370	1.646	50	20	DDGD	
COc1cc2c(cc1OC)C(=NNC(=O)CC(C)(C)C)C(=O)N2	728429157	UWNFAYWGCNXRQN-UHFFFAOYSA-N	319.361	1.912	50	20	DDGD	
CNC(=O)NNC(=S)NCCc1ccc(Cl)cc1Cl	726476839	MRGSXOXEXWQQDN-UHFFFAOYSA-N	321.233	1.844	50	20	DDGD	
COC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F	495325979	DLGZJTLNLNASDA-UHFFFAOYSA-N	305.193	1.197	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H](C)Cc1cncc2ccccc12	823884952	PZBUDMMKJNVSRT-ZDUSSCGKSA-N	301.390	1.759	50	20	DDGD	
CC(C)CCO[C@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	824249629	QIXOAPHEQFGVTH-LLVKDONJSA-N	318.381	1.761	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1cc(F)c(SC)c(F)c1	495327491	ZCZJCINTDOIAPC-UHFFFAOYSA-N	319.289	1.012	50	20	DDGD	
CCOC(=O)NNC(=O)CCCOc1ccc2c(c1)OCO2	493361476	XVUWWOHPGXSWKC-UHFFFAOYSA-N	310.306	1.352	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12	822205225	OYRJLNOGXPCZEU-UHIISALHSA-N	306.337	1.788	50	20	DDGD	
COC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1	725898198	QJXDIXKXHWWZAR-UHFFFAOYSA-N	322.321	1.586	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)CC1(O)CCC1	827511065	MVWYENNRXDZCCG-UHFFFAOYSA-N	324.402	1.240	50	20	DDGD	
O=C(CSC1COC1)NNC(=O)c1ccc(Cl)cc1	901642253	LAOCZXZPFHZACH-UHFFFAOYSA-N	300.767	1.233	50	20	DDGD	
CC(=NNC(=O)OC(C)(C)C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	496980244	WWHVUGMUYRFRTO-UHFFFAOYSA-N	318.333	1.465	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(Br)cc1F)N(C)C	821152471	CNCUEQWSGZQRFI-SSDOTTSWSA-N	304.163	1.981	50	20	DDGD	
CCCN(NC(=O)CCc1nnc(C)o1)C(=O)OC(C)(C)C	822885404	MBNQBMVECRHZNE-UHFFFAOYSA-N	312.370	1.989	50	20	DDGD	
CCCO[C@H](C(=O)NN(C)[C@H](C)CO)c1ccc(F)cc1C	823384702	RSBRVKFRXYLOCR-DOMZBBRYSA-N	312.385	1.946	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)cc1F)[C@@H](C)Oc1ccccc1	585025126	MJZZLQULCRHANP-QWHCGFSZSA-N	317.169	1.451	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCC[C@H]1CCCC[C@H]1C	826009764	FZIFELJCIBYIJD-XJFOESAGSA-N	311.426	1.958	50	20	DDGD	
CC(C)[C@H](NCc1ccccc1B(O)O)c1ccc(F)cc1	585042192	KRUHEPBVQRMDGQ-KRWDZBQOSA-N	301.170	1.992	50	20	DDGD	
CCc1onc(C)c1C=NNC(=O)C(=O)Nc1ccc(C)cc1	901159013	MGXATUKFJFMXIR-UHFFFAOYSA-N	314.345	1.943	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccncc2)c(Cl)c1	730996982	FIJPQVRQIOYHQW-UHFFFAOYSA-N	305.721	1.818	50	20	DDGD	
CCOCCCN1CCC(=NNC(=O)c2ccc[nH]2)[C@@H](C)C1	735227406	SWTRQCVVNBCXSF-ZDUSSCGKSA-N	306.410	1.869	50	20	DDGD	
CC(C)CN(C(=O)c1ccc(B(O)O)cc1)C1CCCCC1	584934606	TZFRGOPYCCWNNW-UHFFFAOYSA-N	303.211	1.797	50	20	DDGD	
CC(C)[C@@H]1CC[C@@H](C)CCN1C(=O)c1cc(B(O)O)ccc1F	584948269	JJKJFVXWSDKZRQ-WBMJQRKESA-N	321.201	1.792	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C)ncn1	492846770	QIDVGUGTIGBUGI-SNVBAGLBSA-N	323.397	1.731	50	20	DDGD	
C[C@]1(C(=O)NNc2nc3ccccn3n2)C[C@@H]1Br	907697284	JUGCQARUNTVOAF-CPCISQLKSA-N	310.155	1.346	50	20	DDGD	
CC[C@](C)(CNC(=O)NNC(=O)COCc1ccccc1)OC	836318970	XVLMEUKQRWSKFI-MRXNPFEDSA-N	323.393	1.349	50	20	DDGD	
CC1CCC(N2C[C@@H](C(=O)NNC(=O)C(C)C)CC2=O)CC1	731343918	XBRNOQVMRIURLD-CPCZMJQVSA-N	309.410	1.217	50	20	DDGD	
O=C1[C@H](NS(=O)(=O)CCl)CCN1c1c(F)cccc1F	830844711	GKVINMXGLAGTMP-SECBINFHSA-N	324.736	1.186	50	20	DDGD	
Cc1ccc(CNS(=O)(=O)CCl)c(N2CCCC2)n1	831069161	JRHCFUIKTNCACC-UHFFFAOYSA-N	303.815	1.606	50	20	DDGD	
Cn1nc2c(c1C(=O)NNC(=O)Cc1ccccc1F)CCC2	906627239	FEXDGRYEQYIDHU-UHFFFAOYSA-N	316.336	1.052	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1c[nH]nc1-c1cccnc1	734261774	FFZQJVYEFCMZSA-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(OCC(=O)O)cc2)o1	832911591	GWGVGXQOWZCKRE-UHFFFAOYSA-N	318.285	1.126	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCO[C@@H](c3cccs3)C2)cc1	585044341	FZMOVBQGNWLLKV-HUUCEWRRSA-N	317.219	1.438	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2cccc(C(=O)O)c2)CCN1C	833600896	OFKIHYHESNNIHX-ZYHUDNBSSA-N	306.366	1.494	50	20	DDGD	
Cc1cc(OCC(=O)NNc2cc(C(F)(F)F)ccn2)no1	832957926	VDZJAULXPRQSLE-UHFFFAOYSA-N	316.239	1.919	50	20	DDGD	
Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc(B(O)O)cc1	584923894	DOBFOOVBYAVEDQ-UHFFFAOYSA-N	324.189	1.527	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCN2CCOC[C@@H]2C)cc1	838289655	GWYNJINRPUSFIJ-ZDUSSCGKSA-N	322.409	1.432	50	20	DDGD	
CS[C@@H]1CCN(CC(=O)NNC(=O)Cc2ccccc2C)C1	830890193	XFKBVMVPXGNIAS-CQSZACIVSA-N	321.446	1.122	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2CCCN(c3ccccc3)C2)c1	585027620	CMPJOAPQLQAVES-QGZVFWFLSA-N	310.206	1.125	50	20	DDGD	
COCCCCNC(=O)NNc1ccc(C(=O)OC)c(F)c1	837546287	MDOJATIWFONLHZ-UHFFFAOYSA-N	313.329	1.665	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)C[C@H]1CC(=O)N1	830813867	SNYYGKXYONMSSH-SECBINFHSA-N	312.167	1.479	50	20	DDGD	
C#CCN1CCC(C(=O)NNc2ccccc2C(=O)O)CC1	833364977	XIYGBQPFEXOYFN-UHFFFAOYSA-N	301.346	1.173	50	20	DDGD	
C[C@H](N)C[C@@H](C)NC(=O)NNC(=O)Nc1ccc(Cl)cc1	831223787	KHSGUVLCWXOSIX-DTWKUNHWSA-N	313.789	1.802	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cc(Br)c[nH]1	834964055	WTGFVKQLVNIOLO-MRVPVSSYSA-N	318.171	1.279	50	20	DDGD	
O=C(CNS(=O)(=O)CCl)OCc1ccc(Cl)cc1	831091116	VEQAMHVMUIVPPL-UHFFFAOYSA-N	312.174	1.499	50	20	DDGD	
C[C@H](C[C@H]1CCOC1)NC(=O)NNc1ncc(F)cc1F	838516772	QMTUQWNYULMGCR-RKDXNWHRSA-N	300.309	1.801	50	20	DDGD	
Cc1cc(C(=O)NN(C)C[C@H](C)O)c2cnn(C(C)C)c2n1	910178353	AFLFNTHICGNLHH-NSHDSACASA-N	305.382	1.278	50	20	DDGD	
Cn1nnc2c1CC[C@H](NC(=O)NNc1cc(Cl)ccn1)C2	848670424	RWDBFHKHDZXLQZ-VIFPVBQESA-N	321.772	1.047	50	20	DDGD	
Cc1ccn2cc(CNC(=O)NNC(=O)C3CCCC3)nc2c1	918235656	PSGQLKUEXNUPCY-UHFFFAOYSA-N	315.377	1.663	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)NCC(F)(F)F)c(O)c1	917553695	RFPRVRNOLGMDGT-UHFFFAOYSA-N	305.256	1.986	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@@H]1C[C@]12CCCNC2	848399467	QAUUUEPCBWNGKA-LRDDRELGSA-N	313.361	1.569	50	20	DDGD	
NC[C@@H](NCC(=O)NNC(=O)c1cccs1)C1CCCCC1	842475722	BLHLQNUBUFBYQT-GFCCVEGCSA-N	324.450	1.006	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)n[nH]1	917908545	MPOQADHLEDWVFH-UHFFFAOYSA-N	302.334	1.175	50	20	DDGD	
O=C(NC[C@@H]1CCCN1)NNC(=O)C12CC3CC(CC(C3)C1)C2	841937349	PXZNPZZRKVJDIN-ZZTKBFGJSA-N	320.437	1.285	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H]2CCn3ccnc3C2)n1	749241264	LMDJCJPIIMPUNC-SECBINFHSA-N	306.757	1.341	50	20	DDGD	
COc1cccc(C(=O)NNC(=S)NC2(C)CCC2)c1O	840719202	FLLANUWKXVHUEM-UHFFFAOYSA-N	309.391	1.452	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1cccc([N+](=O)[O-])c1	916655588	WEGFGLCYWGGRBG-UHFFFAOYSA-N	315.285	1.830	50	20	DDGD	
CC(C)OCc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	843647177	NLMDOWBBXILEAC-IUODEOHRSA-N	320.389	1.798	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccccc1OCC1CC1	843646913	KXYFRMHWYAJNAB-YPMHNXCESA-N	318.373	1.661	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@@H]1C[C@H]1c1cccc(OC)c1	840468239	BAVBDVDWPOJDFM-JSGCOSHPSA-N	321.377	1.166	50	20	DDGD	
Cc1sc(CC(=O)NNC(=O)c2ncccn2)nc1C(C)C	841446231	FBHRUHIGNPAHBJ-UHFFFAOYSA-N	319.390	1.369	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CNc1cccc(Cl)c1	843971141	AZNRPYJAEDJBAV-JOYOIKCWSA-N	311.769	1.324	50	20	DDGD	
CC(CCN(C)C)=NNC(=O)COc1ccccc1[N+](=O)[O-]	915948930	XJKUUOIGJSMXCL-UHFFFAOYSA-N	308.338	1.417	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cnc2c(c1)C[C@H](N)CC2	841322127	OCBLSMVTWYVOGT-GXSJLCMTSA-N	305.382	1.096	50	20	DDGD	
CN(C)[C@@H](CC(=O)NNc1ncc(F)cn1)c1ccccc1	841413108	WSODPYMPKMYUIN-ZDUSSCGKSA-N	303.341	1.752	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@@H](CN)CC(C)C)c1	841954752	UUOZZTFFMLASQP-CYBMUJFWSA-N	322.409	1.078	50	20	DDGD	
Cc1cc(NNC(=O)CC(C)(C)NC(=O)OC(C)(C)C)ncn1	740085698	JWYNVPOIRUXTQT-UHFFFAOYSA-N	323.397	1.922	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)c1ccc(Cl)cc1F	747647004	XVWZDFDRDOQOCV-UHFFFAOYSA-N	306.746	1.629	50	20	DDGD	
COC(=O)C1CCC(=NNC(=O)c2cccc(C(=O)O)c2)CC1	853425269	CTCQDGXVIBIBGW-UHFFFAOYSA-N	318.329	1.834	50	20	DDGD	
CCOc1cc(C(=O)NC[C@@]2(C)C[C@H]2Br)on1	857386272	SLTJTUHROKQRRO-LDYMZIIASA-N	303.156	1.977	50	20	DDGD	
Cc1noc(C)c1C(C)(C)C(=O)NNC(=O)c1cccc(F)n1	856427000	LXKIECVBBOJCDS-UHFFFAOYSA-N	320.324	1.564	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cnc3n2CCC3)cc1F	854882380	FOTUWYPLYGGVSO-UHFFFAOYSA-N	318.308	1.512	50	20	DDGD	
Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CC=C(C#N)CC1	759091624	ZQOFFHZJRHCDIN-UHFFFAOYSA-N	308.407	1.925	50	20	DDGD	
C[C@H]1CN(C2CC2)CC1=NNC(=O)COCc1ccccc1	755892330	TWUJFHLHNQSVCS-ZDUSSCGKSA-N	301.390	1.790	50	20	DDGD	
CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(C)=O	929181680	FINJYLYNLNNXKA-GXSJLCMTSA-N	301.387	1.483	50	20	DDGD	
C[C@H]1CN(C)CC1=NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	752166023	PAXBFRGFEBAEJD-JTQLQIEISA-N	324.406	1.149	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1CCc2c(F)cccc21	921255864	FOKQGEBABGPVTD-GFCCVEGCSA-N	319.380	1.561	50	20	DDGD	
C[C@]1(CNC(=O)c2c[nH]c(C(N)=O)c2)C[C@@H]1Br	857399825	STYPCHACRNJCRE-GZMMTYOYSA-N	300.156	1.017	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](C)Cc2ccncc2)o1	752379906	QBOWWDPPWDSMKQ-SNVBAGLBSA-N	302.334	1.558	50	20	DDGD	
CCn1ncc2ccc(NC(=O)NNC(=O)c3ccccn3)cc21	756269347	PDLRCMUQQNEISB-UHFFFAOYSA-N	324.344	1.918	50	20	DDGD	
CC1CC(CNC(=O)NNc2ccccc2S(C)(=O)=O)C1	856906233	PQEMTYYXARYNCK-UHFFFAOYSA-N	311.407	1.762	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(O)cc(Br)c1	858809040	QTSDGYXRNYGHCT-UHFFFAOYSA-N	316.155	1.509	50	20	DDGD	
CC1CC(CNC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1	856908505	LHOCADIJTHTEBP-QIMFLAQGSA-N	319.361	1.203	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cc1ccc2c[nH]nc2c1)C1CC1	855099922	QGTVBCGCBVPFKL-VIFPVBQESA-N	317.418	1.399	50	20	DDGD	
Cc1csc(C=NNC(=O)c2cccc(S(C)(=O)=O)c2)n1	755644276	ISPXVIXMBBDWJZ-UHFFFAOYSA-N	323.399	1.619	50	20	DDGD	
O=C(CN1CC[C@@H]2C[C@@H]2C1)NNC(=O)c1cccc(Cl)c1	852636314	RNZRFMACVCEBGM-ZYHUDNBSSA-N	307.781	1.443	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccnn1CCc1ccccc1	856985724	JTOIJXFWZOJUSD-UHFFFAOYSA-N	314.389	1.933	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)NCC2(C)CC2)nc2ccccc21	753027486	YQJKOHYTKMYVFU-UHFFFAOYSA-N	315.377	1.246	50	20	DDGD	
CSc1nsc(NC(=O)NNC(=O)c2cccn2C)n1	757587440	KUUTXGXZXXVPES-UHFFFAOYSA-N	312.380	1.065	50	20	DDGD	
Cc1nn(C)c(C)c1OCC(=O)NNc1ccc(Cl)cn1	856092829	HZQLBDRZQKDDLH-UHFFFAOYSA-N	309.757	1.607	50	20	DDGD	
O=C(NN=C[C@@H]1C[C@@H]1c1ccccc1)[C@@H]1CN2CCC[C@@H]2CO1	853388266	BOMODVFZYUZJCA-HZMVEIRTSA-N	313.401	1.755	50	20	DDGD	
Cc1ncc2n1C[C@@H](C(=O)NNC(=S)N[C@H](C)C1CC1)CC2	855097459	QOWMOVMJOSLWKP-SKDRFNHKSA-N	321.450	1.048	50	20	DDGD	
Cc1ccc(NNC(=O)NCCNC(=O)C(C)(C)C)cc1F	853603168	TYTBIUYELSYFMK-UHFFFAOYSA-N	310.373	1.923	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H](C)S(C)(=O)=O)cc1F	853900882	JWUNTBHJCMTCIG-SECBINFHSA-N	303.359	1.193	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1cc(C)c(C(=O)OC)o1	853000767	HIMJIUZPELRVNW-XFXZXTDPSA-N	320.345	1.824	50	20	DDGD	
O=C(CCc1ccoc1)NNC(=O)c1ccc2c(c1)OCO2	753276672	QJWYEQYTPBFYKB-UHFFFAOYSA-N	302.286	1.402	50	20	DDGD	
O=C(NNc1cccnn1)c1cc(F)ccc1N1CCOCC1	753098499	FUCMNGCYPRNBHE-UHFFFAOYSA-N	317.324	1.209	50	20	DDGD	
C[C@@H]1CN(C(=O)NC[C@]2(C)C[C@@H]2Br)CCCO1	856952613	CMXRWDFNKXTOIC-SCVCMEIPSA-N	305.216	1.980	50	20	DDGD	
Cn1cc(C[C@H]2CCN(C(=O)NNC(=O)C3CCCC3)C2)cn1	753338371	CXARZXZXBJTOAD-GFCCVEGCSA-N	319.409	1.216	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]21	857089830	DZQXYVWPQFZZED-MJBXVCDLSA-N	321.421	1.409	50	20	DDGD	
C[C@@]1(CNC(=O)c2cn3cccnc3n2)C[C@@H]1Br	857400363	UUFUQKYDAIMGSZ-CABZTGNLSA-N	309.167	1.633	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNC(=O)OCC(F)(F)F)[nH]n1	856025567	UHPVQQPDOJFYOM-UHFFFAOYSA-N	308.260	1.641	50	20	DDGD	
CC1(C)CN(CC(=O)NNC(=O)C2CC2)Cc2ccccc21	759307175	UFFRGUQTENZYTR-UHFFFAOYSA-N	301.390	1.337	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cc(O)ccc1[N+](=O)[O-]	751134188	JXYPKDFXYKCDMB-UHFFFAOYSA-N	308.338	1.482	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NC[C@H]1CSCCS1	756061994	OXHKICKQRLNJKU-VIFPVBQESA-N	305.469	1.602	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cc(-c2ccccc2O)[nH]n1	863854725	XALXCTWRJRKZKA-UHFFFAOYSA-N	318.333	1.952	50	20	DDGD	
CCC(=O)N1CCc2ccc(NC(=O)NNC(=O)OC)cc21	934193648	LBVOBTOBJNNVES-UHFFFAOYSA-N	306.322	1.378	50	20	DDGD	
Cc1ncc([C@@H](C)NC(=O)NNC(=O)[C@@H]2CCCCO2)s1	868935432	UYUYUUCEMJOIQO-SCZZXKLOSA-N	312.395	1.412	50	20	DDGD	
C[C@@H](NNC(=O)c1ccnc(NC(=O)C2CC2)c1)C(F)(F)F	862320844	WDZUBUHFKVMIAW-SSDOTTSWSA-N	316.283	1.615	50	20	DDGD	
O=C(/C=C\CN1CCOCC1)NNc1ccc2ccccc2n1	867241040	PXXLQVQYCPDLIL-UTCJRWHESA-N	312.373	1.566	50	20	DDGD	
Cc1sc(=O)n(CCC(=O)NN[C@H](C)C(F)(F)F)c1C	862313713	NBCCYOUHDCOXIU-MRVPVSSYSA-N	311.329	1.488	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCSC1)c1cccc2ncccc12	762177472	FKWZUQIMPHNJBB-JTQLQIEISA-N	301.371	1.749	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNc1ccc(OC(F)(F)F)cc1	761598808	DFQIVUMBJZVBLY-MRVPVSSYSA-N	319.283	1.943	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@](C)(O)c2ccc(F)cc2)n1	933985427	HOMJIHZMAAJBTC-OAHLLOKOSA-N	320.324	1.284	50	20	DDGD	
C[C@@H](NNC(=O)c1cc(CN2CCCC2)on1)C(F)(F)F	862320965	PPAKXDJMIBMQCL-MRVPVSSYSA-N	306.288	1.456	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@H]1CCCC[C@H]1C(N)=O	866919401	JDOVWJJEIFKLFN-ZJUUUORDSA-N	310.847	1.215	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CCc2nnc(C(C)C)o2)c1	862478189	DRVYYSBHPJDXRX-UHFFFAOYSA-N	322.390	1.957	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H]1c2ccccc2C[C@@H]1O	866985793	OEZFEXNWSFLWFU-QWHCGFSZSA-N	317.838	1.829	50	20	DDGD	
C[C@@H](NNC(=O)Cc1cc(F)cc2c1OCOC2)C(F)(F)F	862306166	FNRJYIHLHAVLFX-SSDOTTSWSA-N	322.258	1.806	50	20	DDGD	
Cn1nc(C(=O)NN=Cc2cncs2)c2ccccc2c1=O	767760035	DISLGHMZICMZKI-UHFFFAOYSA-N	313.342	1.154	50	20	DDGD	
CS[C@H](C)CC(=O)OCC(=O)NNC(=O)c1cccs1	766921315	SKQFLFKDVORAQH-MRVPVSSYSA-N	316.404	1.194	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1F	764959164	RBIKCXGLROSOKF-UHFFFAOYSA-N	304.281	1.187	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCCC[C@H]1CCCCO1	761038099	PRETVCANTFEXSA-SECBINFHSA-N	311.304	1.619	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)C1Cc2ccccc2C1	761404558	GPOTVPTUFSNLMG-UHFFFAOYSA-N	312.344	1.931	50	20	DDGD	
COc1cc(F)cc(NNC(=O)/C=C\CN2CCOCC2)c1	866879995	HJZYECYOPBRERP-IHWYPQMZSA-N	309.341	1.166	50	20	DDGD	
COc1ccc(C=NN(C)C(N)=O)c(Br)c1O	761010900	FDFOZUINYIAOTI-UHFFFAOYSA-N	302.128	1.508	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(F)c(O)c(F)c2)nc1	762626454	UOUPNXDOFLFUGV-UHFFFAOYSA-N	323.255	1.609	50	20	DDGD	
CC(=O)c1cccc(C(=O)NNC(=O)c2ccc(C#N)cc2)c1	765336614	KRZMVZZTBJXHJN-UHFFFAOYSA-N	307.309	1.836	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cc2n(n1)CCCO2	762136153	CDTQOIKRZUGDOX-UHFFFAOYSA-N	303.278	1.331	50	20	DDGD	
COC(=O)N(C)NC(=O)C1(N(C)C(=O)OC(C)(C)C)CCC1	861656354	INOGMQDHBRCKJL-UHFFFAOYSA-N	315.370	1.505	50	20	DDGD	
COC(=O)c1cnc(Cl)c(NC(=O)NNC(=O)C2CC2)c1	861533882	SDHCHQUVILMTRI-UHFFFAOYSA-N	312.713	1.084	50	20	DDGD	
CC(=O)Nc1ccccc1CC(=O)NNc1ccnc(F)c1	768196855	KLETYAWFVRGVPD-UHFFFAOYSA-N	302.309	1.865	50	20	DDGD	
CCOc1nc(C(=O)NNc2ncnc3ccsc23)co1	773394549	SULUVEVFULKTQD-UHFFFAOYSA-N	305.319	1.835	50	20	DDGD	
CSSCCNC(=O)CNC(=O)c1ccc(C)s1	1117124988	KRGRFXRRNNJEJO-UHFFFAOYSA-N	304.462	1.914	50	20	DDGD	
CCC(CC)[C@@H]1C[C@@H](NC(=O)NN(C)C(=O)OC)CCO1	875465810	DHNCEBAYDLMKSZ-RYUDHWBXSA-N	301.387	1.883	50	20	DDGD	
O=C(NNC(=O)c1cccc2ccccc12)N[C@@H](CO)C1CC1	778675268	FLDSDBDCMXKJDT-HNNXBMFYSA-N	313.357	1.555	50	20	DDGD	
CC(C)C(NC(=O)NNC(=O)C(=O)Nc1ccccn1)C(C)C	770418223	QFPHGXWEWWBDDM-UHFFFAOYSA-N	321.381	1.031	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ccc2nccnc2c1	770401595	JDFUDQJRLGOUPK-UHFFFAOYSA-N	310.273	1.690	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1cnn(-c2cccnc2)c1	771577844	JECXLOGVRVJXID-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
OC1(c2cn(/C(Cl)=C/CBr)nn2)CCOCC1	881310728	NZDDGPCDURQETF-XLUWADSXSA-N	322.590	1.708	50	20	DDGD	
C[C@@H]1CCCC[C@H]1CCNC(=O)NNC(=O)C1CCOCC1	883412770	OEHONFKPCUIQOX-OLZOCXBDSA-N	311.426	1.960	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)/C=C/c2ccc(O)c(O)c2)c1	779513228	URLLXUOVIGJMKT-FNORWQNLSA-N	323.308	1.444	50	20	DDGD	
O=S(=O)(CCCCl)N1CCC[C@H]1[C@H](O)C(F)(F)F	881918434	AKWXCACLJOHUEV-YUMQZZPRSA-N	309.737	1.333	50	20	DDGD	
Cc1nnc(COCC(=O)NNc2ccc(F)c(F)c2)s1	885114272	XDEAMKLCPZRKCN-UHFFFAOYSA-N	314.317	1.785	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(C)cc([N+](=O)[O-])c1	772051105	BUHBXWRXRCAHPF-SECBINFHSA-N	323.305	1.006	50	20	DDGD	
N#C/C(=C/c1ccccc1)C(=O)OCCCN1CCOCC1	785364301	GUQYBAIZSQHTIV-SSZFMOIBSA-N	300.358	1.859	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@@H]1COc2cc(F)cc(F)c21	784574340	YYMLSWGJJWQWKU-SNVBAGLBSA-N	311.288	1.529	50	20	DDGD	
N#CC1=CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1	780688963	QDDKKDLYKQWPHC-UHFFFAOYSA-N	311.301	1.627	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1cccc2nn[nH]c12	780980092	LKHGCLSOHGWJAJ-UHFFFAOYSA-N	322.288	1.160	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@]1(C)CCCOC1	781250465	XLWIUBAUQJQBNR-MRXNPFEDSA-N	316.361	1.220	50	20	DDGD	
CCOC(=O)[C@H]1CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C1	884734723	HPPSHHMUSBLHTJ-GFAPJHNFSA-N	314.341	1.711	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCC[C@@](C)(C#N)C2)cc1	784455175	UTIQUZILTFMIQQ-KRWDZBQOSA-N	314.389	1.382	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cnc(C)nc2C)c1	780796399	XCOXMKOAKAANKG-UHFFFAOYSA-N	300.318	1.637	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)Cc1ccc(F)cc1	788227507	FBYPGQWMUGMINV-UHFFFAOYSA-N	323.349	1.159	50	20	DDGD	
O=C(NN=Cc1sccc1Cl)[C@H]1CCS(=O)(=O)C1	782184211	HIGHFAYWOHUSIM-ZETCQYMHSA-N	306.796	1.286	50	20	DDGD	
N#C/C(=C/c1ccccc1)C(=O)OCCN1C[C@@H]2CC[C@H](C1)O2	785344764	MMVHEQSXPSRELE-ANYHLBQASA-N	312.369	2.000	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Cc2ccc(Cl)cn2)c1	786088193	KDPGMADGVPGVII-UHFFFAOYSA-N	314.732	1.610	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cccc(C#N)c1)[C@@H]1CCCOC1	780004681	BBERITOQGQXWKK-BXUZGUMPSA-N	316.361	1.317	50	20	DDGD	
O=C(NNc1ncncc1Cl)N[C@H]1CCN2CCCC[C@@H]12	780988823	JDPBVHQREBDFRF-QWRGUYRKSA-N	310.789	1.383	50	20	DDGD	
CN(C)c1noc(CNC(=O)[C@@H](Br)C(C)(C)C)n1	793852991	ZVICIKODOQIDMW-MRVPVSSYSA-N	319.203	1.561	50	20	DDGD	
CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1cc(C)c(C)o1	799877175	PMWXWAFJIFPZDS-NSHDSACASA-N	313.379	1.107	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@@H]1CCC[C@H]2CCCC[C@@H]21	795819478	OUYGQPRECODQSY-HZSPNIEDSA-N	309.410	1.666	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2c(C)cnn2C)cc1C	794868431	JZGNGUWMRCUZTK-UHFFFAOYSA-N	300.362	1.874	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1ccccc1N(C)C	790176402	OKKAHIVXQZSPJK-UHFFFAOYSA-N	303.410	1.434	50	20	DDGD	
CN(C)c1ccnc(C(=O)NNC(=O)c2ccccc2Cl)c1	1318090681	RJZAJSLNAPLVSW-UHFFFAOYSA-N	318.764	1.876	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNC(=O)c2ccccc2Cl)s1	1318140363	NNIJQVYVKBFIOL-UHFFFAOYSA-N	323.761	1.575	50	20	DDGD	
C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CCl)c1	1319797930	VRQDRLWUWMZIJI-UHFFFAOYSA-N	320.776	1.099	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2c(C)nn(CCO)c2C)c(O)c1	1324230705	JEMAWZGLXUHWQW-UHFFFAOYSA-N	316.361	1.270	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cnc(C3CC3)[nH]2)cc1F	1325417659	WZCALJLURKIEIY-UHFFFAOYSA-N	318.308	1.970	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccc(OC(F)F)c(Cl)c1	1321135712	LEEASTFTIOBGKH-UHFFFAOYSA-N	323.683	1.477	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)/C=C\c2nccs2)cc1	1336905090	KLWGXKUZKKRZQR-SREVYHEPSA-N	303.343	1.626	50	20	DDGD	
C=CCCCNC(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1331076606	FLYCGIBHXTVJGH-SKDRFNHKSA-N	303.200	1.359	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)c1	1338920000	YVOPODZAZRAQTN-ZDUSSCGKSA-N	323.393	1.632	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)[C@H]2CCc3nnc(O)n3C2)c1	1338917606	FIEOOLUHFPYUCH-NSHDSACASA-N	301.350	1.306	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H]2CCC[C@@H]2OC)cn1	1339129826	GQUDZIBRVHQIMC-MNOVXSKESA-N	324.406	1.223	50	20	DDGD	
CN(C(=O)c1cccc(CCl)c1)N1CCS(=O)(=O)CC1	1521976694	RGHGEZZJOHFZMR-UHFFFAOYSA-N	316.810	1.143	50	20	DDGD	
CC(C)(O)C(C)(C)CNC(=O)NNc1ccc(CC(=O)O)cc1	1603687428	GKKOYSPYGXAYBU-UHFFFAOYSA-N	323.393	1.737	50	20	DDGD	
C=C(CCC(=O)O)C(=O)NNc1cccc2c1OC(F)(F)O2	1602784054	MMQSQDVXASPMPF-UHFFFAOYSA-N	314.244	1.872	50	20	DDGD	
Cc1c(C(=O)NN=C2CCC[C@H](CCCC(=O)O)C2)nnn1C	1607508681	JWBMHGFARAKXLV-LLVKDONJSA-N	321.381	1.654	50	20	DDGD	
O=C(O)C[C@@H](CNC(=O)NNC(=O)CCc1ccco1)C1CC1	1601891793	LNXSAQCYHWRSBB-NSHDSACASA-N	323.349	1.044	50	20	DDGD	
C[C@H](Sc1ccccc1C(=O)NNc1ccn(C)n1)C(=O)O	1604455361	FAWPOXKPMLMNAX-VIFPVBQESA-N	320.374	1.742	50	20	DDGD	
C[C@H](CBr)COC(=O)c1cnc(C(=O)O)cn1	1609865237	UDDAOSRBVLMGOH-ZCFIWIBFSA-N	303.112	1.363	50	20	DDGD	
Cc1oc(C=NNC(=O)[C@H]2Cc3ccccc3O2)cc1C(=O)O	1600838492	SGXMCYRRJXJNFA-CQSZACIVSA-N	314.297	1.740	50	20	DDGD	
CCNC(=O)CCC(=O)NNc1ccc(C(=O)O)c(Cl)c1	1605489783	LGQBUIOJKQEMCI-UHFFFAOYSA-N	313.741	1.398	50	20	DDGD	
Cn1ncc2cc(C(=O)NNc3cccc(C(=O)O)c3)cnc21	1610615042	IVYQVPUCAWJLPL-UHFFFAOYSA-N	311.301	1.423	50	20	DDGD	
O=C(Cc1ccsc1)NNC(=O)Nc1ccc(C(=O)O)cc1	1610675724	URXWMDBXJWIUHE-UHFFFAOYSA-N	319.342	1.842	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C1CC1	1610619088	QAMBHNGFXFTGNN-GMMCIKNFSA-N	300.314	1.669	50	20	DDGD	
C[C@H]1NCCn2c(C(=O)NNC(=S)NC(C)(C)C)ccc21	1576895082	WGKGHUIBTSLKLS-SECBINFHSA-N	309.439	1.060	50	20	DDGD	
Cn1c(C(=O)NNc2ccc(C#N)cn2)ccc1[C@@H]1CCCCN1	1579944959	XKNCBXNZACEWLN-ZDUSSCGKSA-N	324.388	1.863	50	20	DDGD	
NC[C@H]1C[C@H](NC(=O)[C@@]2(c3ccccc3)C[C@@H]2Br)C1	1580332561	HZEWSUAOLPVEOK-GZCFXPHUSA-N	323.234	1.945	50	20	DDGD	
N[C@@H]1CCCCCC[C@H]1C(=O)NNC(=O)Cc1ccccc1O	1580181885	DGHAVRGEXDYUNA-ZIAGYGMSSA-N	319.405	1.380	50	20	DDGD	
CCN(C)[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1845747166	SDIJFGDGKVFIBY-WDEREUQCSA-N	319.808	1.064	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cc(-c2nn[nH]n2)ccc1Cl	1593158529	WARONQJUAYSQEJ-UHFFFAOYSA-N	320.740	1.081	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)C1CCOCC1	1593161144	KVOBLSZFFQSLCT-UHFFFAOYSA-N	322.756	1.390	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2ccc(CC(=O)O)cc2)CCO1	1594256982	BKTNKAOEXBRMTH-ZWNOBZJWSA-N	307.350	1.507	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1Cc2ccccc2[C@H](C(=O)O)C1	1596859461	CHFJICAFLLQOFO-GAJOTYCWSA-N	300.314	1.641	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)c1cscc1-c1nn[nH]n1	1593168130	WSEIOGXGEJOWNM-UHFFFAOYSA-N	323.288	1.358	50	20	DDGD	
COc1cccc(C(=O)NNc2ccc(C(=O)O)cn2)c1OC	1599642535	RRHABMCOEBFJIG-UHFFFAOYSA-N	317.301	1.554	50	20	DDGD	
O=C(COCc1ccccc1)NN=Cc1ccc(C(=O)O)nc1	1776044333	ACUKBDPJQHSKSP-UHFFFAOYSA-N	313.313	1.447	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)NC)c1C	5869806	LWENUJWMALXXFL-RIYZIHGNSA-N	303.362	1.711	50	20	DDGD	
O=C(CC1(C(=O)O)CCCCC1)NNC(=O)c1ccc(O)cc1	13469523	WMKZHXSDOIOVOR-UHFFFAOYSA-N	320.345	1.578	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Cc2c(C)noc2C)cc1	17112563	RPHJBJYFTDUNEP-UHFFFAOYSA-N	317.345	1.369	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12	17196665	WVIYQZDOLIWNPN-UHFFFAOYSA-N	316.361	1.394	50	20	DDGD	
COc1cccc([C@@H](C)CC(=O)NNC(=O)c2cc(C)n[nH]2)c1	153309983	NQDZULWJQBAANB-JTQLQIEISA-N	316.361	1.682	50	20	DDGD	
O=C(CN1CSCC1=O)NNc1ccc(C(F)(F)F)cc1	153757270	ZKGPRDDOKACHBG-UHFFFAOYSA-N	319.308	1.681	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](C)CC1CCCC1	156121336	UPRNIQLFCQYZIT-NSHDSACASA-N	311.426	1.655	50	20	DDGD	
O=S(=O)(CCl)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1	819901939	IRBUQXHPSGKBNN-UONOGXRCSA-N	314.838	1.719	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)N(C)NC(=O)OCc1ccccc1	862290100	NJEOXJHLCGHTPV-JTQLQIEISA-N	309.322	1.031	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Cc1ccc2c(c1)CCO2	10419218	VSVBGUWRSCMYHQ-UHFFFAOYSA-N	310.353	1.934	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNC(=O)CNc1ccccc1	104830030	YVDLOXXGNWZGNU-CQSZACIVSA-N	304.394	1.120	50	20	DDGD	
O=C(C[C@@H]1C=CCC1)NNC(=O)c1cc(Br)c[nH]1	23915035	CYGIQILBJSGZEH-MRVPVSSYSA-N	312.167	1.895	50	20	DDGD	
Cc1cc(C)cc(OCCNC(=O)NNc2ncccn2)c1	56820829	GMKRLQDWIDIKCU-UHFFFAOYSA-N	301.350	1.799	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ccc(Cl)nn1)N1CCCC1=O	118496940	MGZMIQRCZQQJHJ-LBPRGKRZSA-N	311.773	1.220	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1ccc([N+](=O)[O-])cc1F	118501250	BFXLRMJJAAAREG-UHFFFAOYSA-N	311.660	1.934	50	20	DDGD	
N#Cc1cccc(NNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)c1	119396849	QCGKRFZKAAVZDJ-UHFFFAOYSA-N	323.287	1.651	50	20	DDGD	
CC(=O)NCc1ccc(C(=O)NNc2nc(C)cc(C)n2)cc1	29066233	INOXHOJTTACJDO-UHFFFAOYSA-N	313.361	1.486	50	20	DDGD	
CCSc1cc(C(=O)NNC(=O)c2cccn2C)ccn1	64708427	PATJUEHDBKWEAX-UHFFFAOYSA-N	304.375	1.607	50	20	DDGD	
Cc1cnn(CCC(=O)NNc2nc(-c3ccncc3)no2)c1	102787041	IOJPWOFRTNNUDI-UHFFFAOYSA-N	313.321	1.170	50	20	DDGD	
CCc1nc([C@@H](C)NC(=O)NNC(=O)[C@@H]2CCCO2)cs1	111894613	MJUOUVYOMRJCHP-SCZZXKLOSA-N	312.395	1.276	50	20	DDGD	
CN(CC(=O)NNc1nccnc1Cl)Cc1ccccc1	114896052	IHWBUDZEUOMFFS-UHFFFAOYSA-N	305.769	1.705	50	20	DDGD	
CS[C@H]1CCC[C@H](NC(=O)NNC(=O)c2cnn(C)c2)C1	118077694	NEBWJWCFXDYGOK-QWRGUYRKSA-N	311.411	1.038	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1ccnc(-n2ccnc2)c1	118497224	FIVXCDVHKYQCEN-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
Cc1ccccc1C[C@H](C)NC(=O)NNC(=O)c1cnn(C)c1	172224990	RYOQXHCXKKUUHE-LBPRGKRZSA-N	315.377	1.304	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=S)NC(C)(C)C)c1	28716894	GCCZZNHLESGCLL-UHFFFAOYSA-N	309.435	1.922	50	20	DDGD	
CS(=O)(=O)CC1CCC(=NNC(=O)c2ccc(N)cc2)CC1	1347622023	IAZKDPCJVAGMRQ-UHFFFAOYSA-N	323.418	1.589	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)CN(CC)CC	67997141	FVAHXOYDZOFVOP-UHFFFAOYSA-N	307.394	1.117	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)c1cccc(OC)c1O	66921708	SSLJLJDUEOIPHE-JTQLQIEISA-N	308.334	1.143	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCc1cccc([N+](=O)[O-])c1	67722527	YPRFXMYJMQQMOK-UHFFFAOYSA-N	310.310	1.834	50	20	DDGD	
O=C(CCS(=O)(=O)C1CCCC1)NNc1ccnc(F)c1	182537089	RKNYIBCNKAVROQ-UHFFFAOYSA-N	315.370	1.411	50	20	DDGD	
CC(Cl)(Cl)C(=O)NNc1nc(-c2ccncc2)no1	180219392	IKAHPVCPVNYWGQ-UHFFFAOYSA-N	302.121	1.769	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)Cc1cc[nH]n1)c1cccc(F)c1	186128667	ASTFNRYPZUTNEW-JTQLQIEISA-N	304.325	1.433	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)COCc2ccccc2)[nH]n1	127882779	MRIYEUXIKVIADH-UHFFFAOYSA-N	316.361	1.340	50	20	DDGD	
CC(C)(C)OCc1cc(CNC(=O)NNc2ncccn2)no1	188974628	RTKAPAPYGVWOQS-UHFFFAOYSA-N	320.353	1.606	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)NCc2ccco2)cc1	73117685	MUAHCJQOLWAIGQ-UHFFFAOYSA-N	303.318	1.823	50	20	DDGD	
C[C@H](C[S@@](C)=O)NC(=O)NNC(=O)c1cc2ccccc2o1	182835135	FVRJLWYCEDAVJM-PVBMHHQDSA-N	323.374	1.144	50	20	DDGD	
O=C(Cc1cc(F)c(F)cc1F)NNC(=O)c1ccccc1O	134020218	DRKQNZFOYMSMKT-UHFFFAOYSA-N	324.258	1.813	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NCC2CC2)cnn1-c1ccccc1	139368590	ZLMWUQJFIVNIGI-UHFFFAOYSA-N	313.361	1.535	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)/C=C/c1cccnc1	43482720	VQAQIMFNPMGVBD-BQYQJAHWSA-N	321.340	1.512	50	20	DDGD	
O=C(NNC(=O)C(=O)N1CCCC1)Nc1cccc(Cl)c1	133800209	UJQZEZTWISRWGQ-UHFFFAOYSA-N	310.741	1.115	50	20	DDGD	
COc1cc(C(=O)NNc2cccc(C(F)(F)F)n2)on1	139383368	LVLPKCYUUUVISW-UHFFFAOYSA-N	302.212	1.854	50	20	DDGD	
COc1nccnc1NNC(=O)c1cnn(-c2ccccc2)c1C	132187788	QMLIXQORZCQBTC-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2snnc2C)c1	194764927	CPZCUKJQUSPNIY-UHFFFAOYSA-N	320.374	1.303	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@@H](C)N2CCC[C@H](C)C2)n1	46368303	OIJXVKCRLPKDKL-SMDDNHRTSA-N	320.441	1.840	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc(C)o2)C12CCC2	84441546	NOZIQIUGKBEQLV-QWHCGFSZSA-N	321.377	1.880	50	20	DDGD	
Cc1[nH]c2ccccc2c1C(=O)NNC(=O)N1CCOCC1	194900516	PMGUKNZKCIPXTF-UHFFFAOYSA-N	302.334	1.163	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)[C@H]1CCCO1)Cc1cccc(F)c1	81256702	SIQIKKKISVCBGN-BXUZGUMPSA-N	308.353	1.721	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1ccc(C(=O)OCC)cc1	193688607	NRUIUIVXVYBRJI-SDNWHVSQSA-N	302.330	1.923	50	20	DDGD	
Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)NC1CC1	143306263	DEIOOKZFRCJGTQ-UHFFFAOYSA-N	300.318	1.756	50	20	DDGD	
COC(=O)NNC(=O)Nc1cccc(NC(=O)[C@@H](C)OC)c1	142557072	SCSCCNVUTQAXRU-MRVPVSSYSA-N	310.310	1.053	50	20	DDGD	
O=C(/C=C\c1cncc(F)c1)NNC(=O)Cc1ccncc1	255315683	PERHLOHPBCEPGV-UPHRSURJSA-N	300.293	1.019	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1cccc(C(=O)O)c1	264115455	MGBCXLZELIEOEP-UHFFFAOYSA-N	314.363	1.131	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1Cl)C(=O)NNC(=O)C1CC1	264898273	DVDGXYLPMQSJMC-ZETCQYMHSA-N	300.717	1.804	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2CCc3cn[nH]c3C2)cccc1[N+](=O)[O-]	269609362	NXEYQMMUKWIKEG-SNVBAGLBSA-N	315.333	1.875	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCCOCC2CC2)c1	264435429	AVROFBFWJADLTF-UHFFFAOYSA-N	321.377	1.131	50	20	DDGD	
CCc1nc(CCNC(=O)NNC(=O)c2ccc(C)s2)no1	264247246	FFRUVGMRWMTXKB-UHFFFAOYSA-N	323.378	1.189	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1Cc1ccccc1)C1CCC1	264658542	CXSVWTKTPFBPAU-HNNXBMFYSA-N	301.390	1.599	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2(NC(=O)OC(C)(C)C)CC2)o1	268413560	IRHHSZNBZCOWEJ-UHFFFAOYSA-N	323.349	1.406	50	20	DDGD	
CC(C)(C(=O)NNc1cc(F)c(F)cc1F)S(C)(=O)=O	269585184	DBEUIWOZOBANNG-UHFFFAOYSA-N	310.297	1.370	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N2CCC3(CCOCC3)C2)s1	266506762	HJTUYSKXDOSRBI-UHFFFAOYSA-N	323.418	1.913	50	20	DDGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)NC[C@H]2C1	267728566	ZTVSEMUWNPEAMH-PCGBIVOZSA-N	313.317	1.169	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CNC(=O)C2CCCCC2)c1	268266043	BCNSMVIUQGQGEY-UHFFFAOYSA-N	323.368	1.974	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@H](F)C(F)(F)F)c1	277276338	AXIXRSWZSGJVGQ-VIFPVBQESA-N	307.247	1.414	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)N[C@@H]2CCSC2)c1	271897563	HXPRGODPKKXWDT-SNVBAGLBSA-N	315.420	1.222	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(Br)cc1F	271365873	OEUOEPDELYSDMF-UHFFFAOYSA-N	318.146	1.894	50	20	DDGD	
COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NNC(=O)C2CC2)c1	276263053	SUTSHQWGOLADLR-YPMHNXCESA-N	304.346	1.365	50	20	DDGD	
CC(C)C(=O)N1CCCC[C@@H]1C(=O)NNc1ccnc(F)c1	272759681	ONXPSYJKDCENPH-GFCCVEGCSA-N	308.357	1.701	50	20	DDGD	
O=C(NNc1ncccn1)[C@@H]1CCN(c2ccccc2F)C1	289563014	VCWWEZFLWCUVOO-LLVKDONJSA-N	301.325	1.585	50	20	DDGD	
C[C@H](CF)NC(=O)NNC(=O)NCc1ccc(Cl)cc1	289188848	NTUGMIRAUWIOPL-MRVPVSSYSA-N	302.737	1.711	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1	375243271	WFSAKJUETXYJGB-UHFFFAOYSA-N	321.283	1.777	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNc2nc(-c3ccccc3)no2)O1	282484748	HIPWRPJMQQXUAU-FOGDFJRCSA-N	302.334	1.993	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1cnc2n1CCCC2	376213479	YWEPVUJGVKUZSM-UHFFFAOYSA-N	316.336	1.362	50	20	DDGD	
CCN(CC(=O)NNC(=O)Nc1cc(F)cc(F)c1)C1CC1	283776206	QHXUBZAPYPOQPJ-UHFFFAOYSA-N	312.320	1.602	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)[C@H]1CC1(F)F	295206504	LOVKRTLCIQVTLF-SECBINFHSA-N	303.696	1.826	50	20	DDGD	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)COC)ccc1O	298592314	CDOPNYNQEKGCEU-DELQEKLWSA-N	304.346	1.849	50	20	DDGD	
CC(C)SCCNC(=O)NNC(=O)c1cccc(C#N)c1	805067166	KHSYZVUBVSIZKL-UHFFFAOYSA-N	306.391	1.644	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1cccc(Cl)n1)C1CCCC1	293682484	LNJSHZGMQFDIIJ-ZDUSSCGKSA-N	310.785	1.873	50	20	DDGD	
C[C@H](C[S@](C)=O)NC(=O)NNc1cc(C(F)(F)F)ccn1	296667103	OKBXGENBQAHBBQ-QFWYVNQISA-N	324.328	1.494	50	20	DDGD	
C[C@H](Cc1cnc2ccccc2n1)C(=O)NNC(=O)NC1CC1	294022729	HNJNRZZYGGPORX-SNVBAGLBSA-N	313.361	1.301	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNC(=O)Nc1ccc(OC)cc1	802052510	RNNUXJMZARIYQO-UHFFFAOYSA-N	323.349	1.437	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1F	291733919	IMQWUOLAFQCZRO-JTQLQIEISA-N	312.257	1.066	50	20	DDGD	
COC1(CCNC(=O)NNC(=O)Cc2ccc(F)cc2)CCC1	297915203	YUOPXYRDBHOGPM-UHFFFAOYSA-N	323.368	1.658	50	20	DDGD	
Cn1nncc1NC(=O)NNc1ccccc1OC(F)(F)F	809899514	OUPAGAXXMPSXPK-UHFFFAOYSA-N	316.243	1.862	50	20	DDGD	
COCCOc1ccc(CNC(=O)NNc2ccncn2)cc1	296374711	PKEVNVBPVNJHLT-UHFFFAOYSA-N	317.349	1.328	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCC[C@@H]1C(C)C	298043515	HAPHPRHBZHRLIB-MRXNPFEDSA-N	317.433	1.805	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(F)cc1OC1CCOCC1	806645011	QGSAKYPKHXPCLZ-UHFFFAOYSA-N	311.313	1.556	50	20	DDGD	
CC[C@@H](OC)C(=O)NNC(=O)c1ccc(CN(CC)CC)o1	299353011	CXGAHJQDEPIPRD-GFCCVEGCSA-N	311.382	1.307	50	20	DDGD	
O=C(NN=C1CCC[C@H]2C[C@@H]12)C(=O)NN=C1CCC[C@H]2C[C@@H]12	800805623	WDKGFXNWDWTDBR-NNYUYHANSA-N	302.378	1.571	50	20	DDGD	
O=C(COCc1cccnc1)NNc1cnnc2ccccc12	806856402	FYARCSQPEIQIQJ-UHFFFAOYSA-N	309.329	1.685	50	20	DDGD	
Cc1ccc(NNC(=O)NCCCc2ncccc2C)nn1	296663560	GTIRTTFFRLDPCH-UHFFFAOYSA-N	300.366	1.747	50	20	DDGD	
CS(=O)(=O)c1cc(C(=O)NNc2cccc(F)n2)cs1	804769220	JRLVYFKPAHNSHS-UHFFFAOYSA-N	315.351	1.443	50	20	DDGD	
C#CCN(C)CCCNC(=O)NNc1cccc(C(=O)OC)c1	297516085	PPCAKJZCJHAALO-UHFFFAOYSA-N	318.377	1.054	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCc2c(O)cccc21)[C@H]1CCCCO1	295250655	ADWWPIFYKLYCNL-UKRRQHHQSA-N	318.373	1.529	50	20	DDGD	
CSc1cccc(NC(=O)NNC(=O)c2cnccn2)n1	806785837	ZDPVORZCUJKHFI-UHFFFAOYSA-N	304.335	1.060	50	20	DDGD	
COCCCNC(=O)NNC(=O)Nc1ccc(Cl)cc1	297384182	NGPFPAQVYDCUBU-UHFFFAOYSA-N	300.746	1.712	50	20	DDGD	
O=C(CCSc1ccccn1)NNC(=O)[C@@H]1CCCCO1	295708275	JKFCOJVBJSEUEJ-NSHDSACASA-N	309.391	1.280	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2c[nH]c(C(F)(F)F)c2)CC1	807985008	YOKGEOUQSORAIT-UHFFFAOYSA-N	303.288	1.324	50	20	DDGD	
CCOC(=O)NN=C1C(=O)N(CCN(C)C)c2ccccc21	807943302	RRXUIRXYDZCYBA-UHFFFAOYSA-N	304.350	1.045	50	20	DDGD	
CCCCn1nccc1NC(=O)C(=O)NNc1ncccc1F	807302090	MNGPBAPAUZVJMG-UHFFFAOYSA-N	320.328	1.299	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1cccc(-n2ccnn2)c1	814956752	CCSFKXWJTCNTLF-UHFFFAOYSA-N	309.333	1.073	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C1CCC(OC[C@H]2CCCO2)CC1	819122948	MYKZNJGIEZNHGW-YMAMQOFZSA-N	324.421	1.688	50	20	DDGD	
CCCN1C[C@H](CNC(=O)NNc2ncccc2F)CC1=O	817172483	APRPFPKLFGQSIJ-JTQLQIEISA-N	309.345	1.105	50	20	DDGD	
COc1cccc(NCC(=O)NN=C(C)Cn2cccn2)c1	814764719	WPRHHPARZAZSCT-UHFFFAOYSA-N	301.350	1.496	50	20	DDGD	
O=S(=O)(CBr)NCc1nc2c(s1)CCC2	719571645	UIGUDSYUIDGTTQ-UHFFFAOYSA-N	311.226	1.404	50	20	DDGD	
Cc1nn(C)c(N)c1C=NNC(=O)c1cc2c(s1)CCC2	814738587	FOGACYIGUBRCER-UHFFFAOYSA-N	303.391	1.625	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2ncncc2F)c2ccccc21	817078374	BDQNTSQMHCDTNY-NSHDSACASA-N	300.293	1.819	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1cc(Cl)cc(COC)c1	811676707	GYNILQCOGXZHLH-UHFFFAOYSA-N	306.771	1.206	50	20	DDGD	
CC(=NNC(=O)C(F)F)c1nnn(-c2ccc(F)cc2)c1C	814902594	QFHGUDRGFGJKQK-UHFFFAOYSA-N	311.267	1.820	50	20	DDGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](C(=O)O)C1	819090881	JRGOGCPFUAASOF-QWGHSUKYSA-N	303.274	1.245	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(C2CCC2)cc1	814835220	KPYXAIQAGBRFBQ-NSHDSACASA-N	323.418	1.342	50	20	DDGD	
Cc1cc(C)c(OCC(=O)NNC(=O)c2ccnnc2)c(C)c1	817692611	VNMSFEBEAIRVST-UHFFFAOYSA-N	314.345	1.242	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)C2CCCC2)ccc1F	729836044	KRAXHDQOORGGFX-UHFFFAOYSA-N	300.355	1.634	50	20	DDGD	
CCc1cnccc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	825735312	PUUYGQAXJNJUIT-UHFFFAOYSA-N	309.333	1.581	50	20	DDGD	
O=C1C[C@H](C(F)(F)F)[C@@H](C(=O)NNc2ccccc2)CN1	821142294	AXRBYZXFTJWYGB-UWVGGRQHSA-N	301.268	1.444	50	20	DDGD	
CC1(C(=O)NNC(=O)COc2ccc(F)cc2)CCC(=O)CC1	823716840	STXDAANWZXREEF-UHFFFAOYSA-N	322.336	1.501	50	20	DDGD	
N#C/C(=C/c1ccccc1-c1nn[nH]n1)C(=O)N=c1cc[nH]cc1	826378995	GQKMUPSAVFGYQU-XFXZXTDPSA-N	317.312	1.229	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC=C(c2cccnc2)C1	829898161	YXGOGVAXMQSLCI-UHFFFAOYSA-N	316.405	1.364	50	20	DDGD	
CCN(CCO)NC(=O)CN[C@H](c1ccccc1)C(F)(F)F	823860704	ZFMCRWVCSRUHPH-CYBMUJFWSA-N	319.327	1.225	50	20	DDGD	
CCOC(=O)CN(C(=O)/C(C#N)=C\c1cnn(C)c1)C1CCC1	491176268	OOYLIAODHIBWRG-QPEQYQDCSA-N	316.361	1.271	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NNc1cccc(F)n1	497306152	OFUNKKAEWBNZGQ-DTWKUNHWSA-N	310.329	1.577	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCCN1CCCC1=O	491159070	HKHDFFAXQDANAX-RAXLEYEMSA-N	301.321	1.471	50	20	DDGD	
O=C(/C=C/[C@@H]1CCOC1)NNc1cccc(Br)n1	493042853	CXWUHHONGDPHQC-XNPJLODASA-N	312.167	1.880	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)CO1	827607991	VMFGFHGSICFVDM-FYBHJDENSA-N	321.421	1.711	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)OCc2nc(C3CC3)nn2C)cn1	829235878	FDRBEKDXSCTOQM-LFYBBSHMSA-N	312.333	1.076	50	20	DDGD	
CN(C)CC(=O)NN=Cc1cccc(Br)c1O	727647909	NILNNICLLIPZTP-UHFFFAOYSA-N	300.156	1.166	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccnc(C2CC2)c1	826449294	KYJQIZGCIKOAAH-UHFFFAOYSA-N	321.344	1.896	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=O)COc2ccc(F)cc2)CC1	822205306	RMMGFDORUPVWKM-UHFFFAOYSA-N	308.309	1.111	50	20	DDGD	
O=C1CCC(C(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1	826480341	YCOJIKSLBKUZEI-UHFFFAOYSA-N	300.322	1.069	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1c(F)cc(Cl)cc1F	495408772	UVXBOYSLXDPBIC-UHFFFAOYSA-N	321.667	1.334	50	20	DDGD	
CC(C)Oc1ccc(N(C)CC(=O)NNC(=O)C(C)C)cc1	829233964	HPRLVFWNWRRWDA-UHFFFAOYSA-N	307.394	1.713	50	20	DDGD	
C[C@@H](OCCc1ccccc1)C(=O)NNC(=O)CC(F)(F)F	825505559	LOCCZMKWKDYKGE-SNVBAGLBSA-N	318.295	1.734	50	20	DDGD	
OB(O)c1cccc(CN[C@H]2CC[C@@H](c3cccc(F)c3)C2)c1	585039911	XCPMOSSNQNRJBM-QAPCUYQASA-N	313.181	1.931	50	20	DDGD	
CCCCN(C)c1ccc(C(=O)N2CC[C@H](B(O)O)C2)cc1	585069585	NOKDHDNLAWCGJU-AWEZNQCLSA-N	304.199	1.612	50	20	DDGD	
C[C@]1(C(=O)Nc2cccc(-n3cnnn3)c2)C[C@H]1Br	905548351	UJJHMGFRTRXDEY-PWSUYJOCSA-N	322.166	1.774	50	20	DDGD	
O=C(NCB(O)O)c1nc(-c2ccccc2)n2c1CCCCC2	585061552	VIZVZYIDYNUOOW-UHFFFAOYSA-N	313.166	1.018	50	20	DDGD	
C/C(Cl)=C\C(=O)NNc1ccccc1S(=O)(=O)N(C)C	908363304	KDXDEZQREKEFQR-CMDGGOBGSA-N	317.798	1.523	50	20	DDGD	
CCCS(=O)(=O)Nc1cccc(NC(=O)NNC(=O)O)c1	829545898	TWBOPXLUXWWAAF-UHFFFAOYSA-N	316.339	1.142	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2CCc3cc(F)c(F)c(F)c32)c1	585044250	CNTQUYSIYHFZCA-CYBMUJFWSA-N	321.107	1.561	50	20	DDGD	
COc1cc(C=NNC(=O)c2c[nH]nc2C)cc2c1OCO2	735410433	FANFUTMXZHZTIB-UHFFFAOYSA-N	302.290	1.219	50	20	DDGD	
Cc1noc(C)c1S(=O)(=O)NN(C)C(=O)OC(C)(C)C	496563962	SDCDSNJVMHWMHQ-UHFFFAOYSA-N	305.356	1.352	50	20	DDGD	
Cc1cnc2nc(C(=O)NNc3nccnc3C(C)C)nn2c1	834580353	IUZCBFGJDFCBMK-UHFFFAOYSA-N	312.337	1.103	50	20	DDGD	
CC(C)Oc1ccc(/C=C/C(=O)N2CC[C@@H](B(O)O)C2)cc1	585078055	VKVBFWQINPKJJL-LHRNQBEKSA-N	303.167	1.562	50	20	DDGD	
CO[C@H](c1ccc(F)cc1)[C@H](C)NCc1ccc(B(O)O)cc1	585035817	YJXSEQDJDXPABF-SJCJKPOMSA-N	317.169	1.371	50	20	DDGD	
Cc1nc(C(C)(C)NC(=O)c2cccc(B(O)O)c2)sc1C	584950012	OBSUXTZKKBKMMO-UHFFFAOYSA-N	318.207	1.105	50	20	DDGD	
CC(C)[C@H](NC(=O)O)C(=O)NNc1ccc(C(F)(F)F)nn1	833468791	RFKCXWFSUOOFBR-QMMMGPOBSA-N	321.259	1.231	50	20	DDGD	
CC(C)(C#N)CNC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	838541659	GVTLBAXFWONMPX-UHFFFAOYSA-N	319.321	1.301	50	20	DDGD	
CCCCNC(=O)NNC(=O)/C=C\C(=O)c1ccc(C)cc1	900383591	WRVBTMAWBRJGDP-KTKRTIGZSA-N	303.362	1.864	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](CO)c1ccccn1	908491957	LNWISUVSZAOVOJ-ZDUSSCGKSA-N	322.796	1.597	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc(N2CCOCC2)c(F)c1	732143013	ONACXBZCEOYEEH-UHFFFAOYSA-N	321.352	1.223	50	20	DDGD	
COc1cc(OC)nc(C(=O)NNc2cc(C)ccc2C)n1	907096245	AGWMEZPPSUZHDZ-UHFFFAOYSA-N	302.334	1.868	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(-c2cnn(C)c2)c(C)n1	836706687	SZQFWHJYTZBXBB-UHFFFAOYSA-N	318.337	1.573	50	20	DDGD	
COCC(COC)NC(=O)NNc1ccc(OC(F)F)cc1	838678265	YIKRFBAVXNZJJO-UHFFFAOYSA-N	319.308	1.576	50	20	DDGD	
O=S(=O)(CCl)NCc1cccc(N2CCOCC2)c1	831622948	KVXGTCBMITYYTN-UHFFFAOYSA-N	304.799	1.139	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccccc2F)[C@H]2CCCC[C@@H]2N1	830767217	XKFWJPNIZZVUDT-MDZLAQPJSA-N	305.353	1.964	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCCO[C@@H](c2ccccc2)C1	732200864	CBNGCQFOUKVTOQ-UKRRQHHQSA-N	319.405	1.396	50	20	DDGD	
Cc1nnc(SCCO[Si](C)(C)C(C)(C)C)n(N)c1=O	839982700	FTWXOKXNFQAWOG-UHFFFAOYSA-N	316.503	1.774	50	20	DDGD	
COc1ccc(C(C)(C)CNCc2ccc(B(O)O)o2)cc1	585022716	XFTVSIXPNIYZKU-UHFFFAOYSA-N	303.167	1.035	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2CCCc3cc(N)ccc32)n1	834928672	BMJAFRDLBUEOCD-UHFFFAOYSA-N	311.389	1.939	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccnc(NC2CCC2)c1	911503404	SVDQZLIABXTCJZ-ZWNOBZJWSA-N	318.377	1.232	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2C[C@@H](C)n3ccnc32)n1	836629729	WVUGDZUKHQVNMB-NXEZZACHSA-N	317.353	1.322	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCc1cc[nH]n1)c1ccccc1	732447977	MELJHCCLHDHSDY-CYBMUJFWSA-N	301.350	1.434	50	20	DDGD	
O=C(NNc1cccc(F)n1)N[C@H]1C[C@H]2CCCCN2C1=O	836692112	OIPUCVGLTBFBNF-ZJUUUORDSA-N	307.329	1.000	50	20	DDGD	
O=C(CN[C@@H]1CCC[C@@H]2C[C@@H]21)NNC(=O)c1cccc(Cl)c1	830580450	RYCCVCYUDIUIRL-DDTOSNHZSA-N	321.808	1.879	50	20	DDGD	
CC(=O)NNC(=O)c1ccccc1CSC1=NCCS1	912694041	OUEFGYYOTIKJIV-UHFFFAOYSA-N	309.416	1.804	50	20	DDGD	
O=C(O)COc1ccc(C=NNC(=O)[C@H]2CCCCO2)cc1	834988002	FDSJYLFOOLPINQ-CYBMUJFWSA-N	306.318	1.169	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1ccc(F)c(C(=O)OC)c1	837036419	FJRHNBRRVPQCMY-AWEZNQCLSA-N	319.336	1.153	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccnc(Cl)c1Cl	911504776	KOPTZKKHZJGCLT-RNFRBKRXSA-N	318.160	1.574	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1scnc1C(C)(C)C	843651377	CHUCSMDXVZHXJH-BDAKNGLRSA-N	311.407	1.627	50	20	DDGD	
C[C@H]1CCCCCC1=NNC(=O)CNC(=O)c1cccnc1	844587146	HZNWVGFSAAAPAE-LBPRGKRZSA-N	302.378	1.884	50	20	DDGD	
O=C(CN1CCCC1=O)NNC(=O)c1cccc(C2CCC2)c1	913733165	YGAHRLIPUFWMBB-UHFFFAOYSA-N	315.373	1.338	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1scnc1C1CCCC1	843657452	PGXSQWHPMWNXKL-GXSJLCMTSA-N	323.418	1.987	50	20	DDGD	
CC(C)C[C@H](CN)NC(=O)NNC(=O)C(C)(C)c1ccccc1	841953639	KKKKVNAJBBXLQF-CQSZACIVSA-N	320.437	1.668	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C/C=C\c1ccc(F)cc1	747753595	JPCMISHBWFKTFM-GAOAPAHZSA-N	315.304	1.964	50	20	DDGD	
O=C(NNC(=O)C1(c2cccc(F)c2)CCC1)c1ncccn1	841355041	VZKVRHOSDCZZME-UHFFFAOYSA-N	314.320	1.499	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1cncc(Cl)n1)CC(C)C	842187380	WBVSVRPCTCQEGT-SECBINFHSA-N	301.778	1.817	50	20	DDGD	
C=C[C@@H](C)ONC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	845638384	GQUNASCLAWTEHO-DGCLKSJQSA-N	321.377	1.907	50	20	DDGD	
CN(C(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)[C@@H]1CCNC1	846664800	CPBWFZGUBFDFMC-SBFPOUOMSA-N	301.228	1.760	50	20	DDGD	
CC[C@H](C)CC[C@H](O)CC(=O)NNC(=O)[C@H]1CCO[C@H]1C	843970704	JXGXBBPJQPFDOC-CYDGBPFRSA-N	300.399	1.136	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2CC[C@@H]2C(N)=O)cc1	847288169	VZEBAUGCPSVOIS-QWHCGFSZSA-N	317.389	1.257	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1c(C)nc([C@H](C)CC)nc1C	847687736	VUYSHQHKGLYPHB-SNVBAGLBSA-N	321.425	1.842	50	20	DDGD	
Cn1nc(C(=O)NNc2cnnc3ccccc23)cc1C1CC1	743410110	IGNMDUBNMZNQDO-UHFFFAOYSA-N	308.345	1.998	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2[C@@H]3CCCO[C@H]3C2(C)C)n1	743430065	DVTQQCUKFNEXEG-SWLSCSKDSA-N	304.394	1.807	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1ncccn1)c1ccc(C)cc1	841594278	SMDSSXRMBKOKFN-CYBMUJFWSA-N	313.361	1.880	50	20	DDGD	
Cn1nc(C(=O)NN=Cc2ccccc2F)c2ccccc2c1=O	916316069	KRRKCDDHFAFHSV-UHFFFAOYSA-N	324.315	1.837	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc2ccccc2c(OC)n1	742382418	XLCXHLXQSWBPSM-UHFFFAOYSA-N	302.334	1.597	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)Cn2ccc3ccccc32)[nH]1	747631216	FCZYRWLXLDKZFY-UHFFFAOYSA-N	324.340	1.906	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc(Cl)c(Cl)c1	843642927	YTUFFELEAGFYBQ-HTRCEHHLSA-N	318.160	1.574	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(F)c1	843657538	CERBURITYJEGFF-GXSJLCMTSA-N	308.309	1.214	50	20	DDGD	
COc1ccc(C(=O)NN=C2C[C@@H](C)n3ncnc32)cc1OC	841604294	KXWGEPJUZLUGOI-SECBINFHSA-N	315.333	1.394	50	20	DDGD	
COC(=O)[C@H](NNC(=O)[C@@H]1CCCCO1)c1ccccc1F	842151710	YGKFLDGNFSFVHS-QWHCGFSZSA-N	310.325	1.230	50	20	DDGD	
O=C(CC1CC1)NN[C@H](C(=O)NC1CC1)c1ccc(F)cc1	842149897	PZGRAQXDDMXGQR-HNNXBMFYSA-N	305.353	1.566	50	20	DDGD	
COc1cncc(C(=O)NNc2ncnc(Cl)c2C(C)C)n1	840545892	SQDDZDMMKWMZHZ-UHFFFAOYSA-N	322.756	1.809	50	20	DDGD	
O=C1NCCc2c(NS(=O)(=O)CCCCCl)cccc21	840915518	CJSNNZAKRSBKTK-UHFFFAOYSA-N	316.810	1.733	50	20	DDGD	
Cc1cccc2c1O[C@H](C(=O)NNC(=S)N[C@@H](C)C1CC1)C2	855095269	KEXIBWLPMBZSPB-GWCFXTLKSA-N	319.430	1.592	50	20	DDGD	
CC(C)(C(=O)NNC(=O)Nc1cnns1)c1ccccc1	755368634	LZLMLDFWDILYJG-UHFFFAOYSA-N	305.363	1.669	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H](CC(C)C)NC(C)=O	859303639	SBRLEQBJDUYUPB-CYBMUJFWSA-N	321.377	1.007	50	20	DDGD	
O=C(NN=C1CCCc2cc(O)ccc21)C(=O)Nc1ccccn1	758379572	CQEOLWXXQSCFAK-UHFFFAOYSA-N	324.340	1.583	50	20	DDGD	
CCCn1nccc1C=NNC(=O)Cc1ccccc1OC	853293281	UVINCIMOAUVRFB-UHFFFAOYSA-N	300.362	1.995	50	20	DDGD	
COc1ccnc(NNC(=O)NC2CCC(OC(C)C)CC2)n1	752697598	DQMZNQHJOYVEDZ-UHFFFAOYSA-N	323.397	1.848	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCO[C@@H]3CCC[C@@H]32)c1	859638025	BZCXFHKCTDRJPM-LSDHHAIUSA-N	317.389	1.009	50	20	DDGD	
CC(C)[C@@H]1CCCN1CC(=O)NNC(=O)c1cccc(C#N)c1	756486764	PVTFBDGXFAQKLO-HNNXBMFYSA-N	314.389	1.440	50	20	DDGD	
CN(C[C@@H]1CCOC1)C(=O)NC[C@@]1(C)C[C@H]1Br	856898480	BDDRNRQSFBBVTF-HOSYDEDBSA-N	305.216	1.838	50	20	DDGD	
C[C@]1(CNC(=O)C2(CO)CCOCC2)C[C@@H]1Br	857736414	LZNWJUAERKDJEP-GXSJLCMTSA-N	306.200	1.065	50	20	DDGD	
O=C(NC[C@H]1CCCN1CC(F)F)NNC(=O)C1CCCC1	858393284	PLNZSVLEXSGSDP-LLVKDONJSA-N	318.368	1.237	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@H]32)cn1	926768382	YERZITJQMABNIC-JLGHYINKSA-N	304.353	1.782	50	20	DDGD	
CCn1cnc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)c1	854224562	OXNOPPFGNOZTBA-SNVBAGLBSA-N	320.324	1.271	50	20	DDGD	
CCC[C@H](O)CC(=O)NNC(=O)c1ccc(OC)c(OC)c1	750052317	NICQZABCKKLYTL-NSHDSACASA-N	310.350	1.016	50	20	DDGD	
COc1cc(C)cc2c1OCCC2=NNC(=O)C(=O)NC(C)C	920373211	VJWOEVHFGMNXEY-UHFFFAOYSA-N	319.361	1.131	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)N[C@@H]1CC(=O)N(C2CC2)C1	852192670	FKYADSYQISXKCT-SECBINFHSA-N	309.757	1.124	50	20	DDGD	
CCn1ccnc1C=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1	755563873	HATCKJLLEGZOTO-UHFFFAOYSA-N	302.294	1.157	50	20	DDGD	
C[C@@](O)(CNS(=O)(=O)CCCCl)c1cccc(F)c1	921399783	DSQWZSKJAPHNSW-GFCCVEGCSA-N	309.790	1.582	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](c1ccc(F)c(C)c1)C1CC1	759696583	HTMSTEZPBFXVDS-OAHLLOKOSA-N	323.368	1.952	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@@H](CCCO)C2)C[C@@H]1Br	856961157	WJXJUSAUXDQDPD-NTZNESFSSA-N	319.243	1.964	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1conc1C(C)C	859303954	ZKXHFEXBOMJPMD-UHFFFAOYSA-N	303.318	1.881	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)CCn1cccc1	751058661	ILSNXICBWKWHQQ-UHFFFAOYSA-N	315.373	1.667	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)[C@@]2(C)CC=CCC2)C[C@@H](C)O1	856758912	PORQNAQATQUWSS-VBQJREDUSA-N	323.437	1.380	50	20	DDGD	
CCC[C@H](CNC(=O)NNC(=O)c1cccc(F)n1)OCC	858625073	PEDIFNNWOGESRN-SNVBAGLBSA-N	312.345	1.370	50	20	DDGD	
COc1cccc(C(=O)CCCC(=O)NNc2cnnn2C)c1	857270525	FZWKHKSSAHYKNJ-UHFFFAOYSA-N	317.349	1.320	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C(C)(C)c2ccccc2)n[nH]1	755351006	VBVZXTKXFBTCHD-UHFFFAOYSA-N	300.362	1.386	50	20	DDGD	
COCCN(C)NC(=O)c1cc(Cl)nc(C(F)(F)F)c1	854413253	PKJGAIXEVDPJQC-UHFFFAOYSA-N	311.691	1.977	50	20	DDGD	
C[C@H](NNC(=O)Cc1cccc(F)c1[N+](=O)[O-])C(F)(F)F	869377339	XBYAICYCTGMHNE-LURJTMIESA-N	309.219	1.848	50	20	DDGD	
CC(C)[C@H]1C(=O)NCCN1C(=O)[C@@H](Br)C(C)(C)C	767943747	QGURWHBMXUMGSF-VHSXEESVSA-N	319.243	1.779	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2ccc(Cl)c(Cl)c2)N1	863145458	CPFHYRONXASICD-SNVBAGLBSA-N	300.145	1.722	50	20	DDGD	
COCCOCC(=O)NNC(=O)/C=C/c1ccc(Cl)cc1	869914165	WDDAIQMKGRAKIV-QPJJXVBHSA-N	312.753	1.164	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cc(C(=O)OC)cs1	930386879	MEJMSQMFSNRJIO-UHFFFAOYSA-N	309.347	1.491	50	20	DDGD	
CCc1cnc(O)c(C(=O)NNCC(F)(F)C(F)(F)F)c1	863102553	NETYMQTWQKIIJF-UHFFFAOYSA-N	313.226	1.782	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)[C@H]1CCCN(CC(F)F)C1	869355264	XFKMQIQGVMYISU-QMMMGPOBSA-N	319.743	1.550	50	20	DDGD	
CN(C)CCn1cc(C(=O)NNc2ccccc2Cl)cn1	866871976	WXPKXQFZYQITOQ-UHFFFAOYSA-N	307.785	1.855	50	20	DDGD	
COC(=O)CCCC(=O)NNC(=O)c1cc2c(s1)CCC2	764449683	GJSCXGBOBJPYNL-UHFFFAOYSA-N	310.375	1.341	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=O)COc1ccc(C)c(C)c1	767042672	AGKFFIKXPSAVCE-UHFFFAOYSA-N	302.374	1.879	50	20	DDGD	
C[C@@H](NNC(=O)CSC[C@H]1CCCCO1)C(F)(F)F	862313054	XCAWEGJJEWZKHO-RKDXNWHRSA-N	300.346	1.860	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)CCc1c(F)cccc1F	863399253	BMPRQPHDXFYUMU-UHFFFAOYSA-N	320.361	1.504	50	20	DDGD	
CN(C)c1ccc2c(c1)N(C)C(=O)C2=NNC(=O)CC(C)(C)C	761806811	ADEBZFPKGFLRLS-UHFFFAOYSA-N	316.405	1.986	50	20	DDGD	
Cc1cc(=NNC(=O)C2(C)CN(C(=O)OC(C)(C)C)C2)cc[nH]1	862515555	WBGPJHZMETYSMU-UHFFFAOYSA-N	320.393	1.512	50	20	DDGD	
Cc1ccn2ncc(C(=O)NNC(=O)Cc3ccncc3)c2c1	766847467	ZBOCCLVONUCXLL-UHFFFAOYSA-N	309.329	1.041	50	20	DDGD	
COc1nccnc1NNC(=O)C(=O)Nc1ccc(C)c(F)c1	766261255	QVNNYMGVXRUADR-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN[C@H](C)C(F)(F)F	862309035	IDJZLUMUFZUADU-MRVPVSSYSA-N	300.284	1.916	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H](C)c2c(C)n[nH]c2C)cc1	1116561466	YHLKUCNULBWWBQ-SECBINFHSA-N	316.361	1.600	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2nnn(C)c2C)cc1C	873764029	SOKYEYUTFZJPCV-UHFFFAOYSA-N	318.406	1.372	50	20	DDGD	
CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)NN(C)C(=O)OC	875447228	MZHZMIIBKVJECS-AXFHLTTASA-N	301.387	1.739	50	20	DDGD	
O=C(NCC1CC1)NN=C1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1	760255307	ZPMAWBPTMHLAMS-LBPRGKRZSA-N	320.353	1.972	50	20	DDGD	
CCCOc1ccc(CNC(=O)NN=c2cc[nH]c(C)c2)cn1	875255041	HDJYIHNLGNKKRV-UHFFFAOYSA-N	315.377	1.822	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCN1CCN(c2nc[nH]n2)CC1	878824014	BIASZIIWDWGZPY-UHFFFAOYSA-N	311.506	1.949	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1nccs1	770111919	WPEREHRSKLTBPD-QMMMGPOBSA-N	309.322	1.511	50	20	DDGD	
CC1CCN(CCC(=O)NN=C2C[C@@H](C)n3ncnc32)CC1	1118026625	ZTSLREPMMIBUFM-GFCCVEGCSA-N	304.398	1.185	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1nc(-c2ccccc2)no1	779777451	GJVXXSMKXGMYTJ-UHFFFAOYSA-N	317.349	1.486	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(OC)nc1C(F)(F)F	879251248	RFARYGXNDMKTFM-UHFFFAOYSA-N	322.287	1.724	50	20	DDGD	
CC(C)N(C)CC(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874952033	XAVOHFWISZRQIL-UHFFFAOYSA-N	323.466	1.410	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cnn(C(C)C)c1N	774853609	OKMDVFNSVPDCJM-UHFFFAOYSA-N	303.370	1.717	50	20	DDGD	
COCCOc1cc(C(=O)NNc2nccnc2Cl)ccn1	777524449	YOVIHECACUGSLO-UHFFFAOYSA-N	323.740	1.307	50	20	DDGD	
Cc1cc([C@@H](C)NCC(=O)NNC(=O)C(C)(C)C)ccc1F	775550097	VHPSJRUJVVFABG-LLVKDONJSA-N	309.385	1.978	50	20	DDGD	
Cc1ccccc1OCCC(=O)NNc1nc2ccccn2n1	1116764330	BABGEMFJJNXRCI-UHFFFAOYSA-N	311.345	1.950	50	20	DDGD	
CCc1nc(CCNC(=O)NN=c2cc[nH]c(C)c2)cs1	875209802	DTISMOLZSCWIQV-UHFFFAOYSA-N	305.407	1.700	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cccc(C(F)(F)F)n1	1117740960	XPDDJFOTEZVNLZ-UHFFFAOYSA-N	306.313	1.618	50	20	DDGD	
C[C@@H]1CCC[C@@H](OCC(=O)NNc2cc(Cl)nc(N)n2)C1	779376750	ZWVDZGJDICKXMK-RKDXNWHRSA-N	313.789	1.751	50	20	DDGD	
CN1C(=O)CN(C(=O)CCCC[C@H]2CCSS2)CC1=O	774317440	HKDGAQJEMJGVNT-JTQLQIEISA-N	316.448	1.528	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)c2ccncc2)c1F	771264985	XTIHIECCDDXCBI-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)C2(F)CCCC2)c1	772790674	QRXTUWWFBNDMTM-UHFFFAOYSA-N	322.336	1.582	50	20	DDGD	
C[C@H](O)c1ncc(C=NNC(=O)c2ccnc(N(C)C)c2)s1	773054446	QPECQLHZCQSIKV-VIFPVBQESA-N	319.390	1.421	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc(F)c1F	772075945	OELDNMVCOVAOKP-SSDOTTSWSA-N	300.261	1.068	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cccc(O)c2O)cc1	776317041	WHYMVMFUTTUYFN-UHFFFAOYSA-N	316.313	1.246	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(C)n(C(C)C)c1C	771872764	CIZVNIBOTPHGMN-GFCCVEGCSA-N	323.393	1.789	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)c1ccc(CC)cc1)[C@H]1CCCO1	773557634	FYQXDHXIVPJGEF-HUUCEWRRSA-N	315.373	1.374	50	20	DDGD	
COC[C@@](C)(O)C(=O)NNc1cc(Br)ccc1F	885148069	WBUGHIUQZXMWEZ-LLVKDONJSA-N	321.146	1.429	50	20	DDGD	
CC[C@@]1(C(=O)NNc2ccc(C)c(C(=O)OC)c2)CCNC1=O	880078156	GEWRCWRBANGBAX-MRXNPFEDSA-N	319.361	1.141	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cccc2c1OCCCO2	887150401	JGWWLDKOBXHJPJ-UHFFFAOYSA-N	302.330	1.412	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=C1CCc2cccnc21	884446879	CRRPLZOLDLMJJM-UHFFFAOYSA-N	304.350	1.373	50	20	DDGD	
CN1Cc2ccc(NC(=O)C(=O)NN(C)c3ccccc3)cc2C1	783424511	FWMBSJGQKBJBEX-UHFFFAOYSA-N	324.384	1.738	50	20	DDGD	
C[C@@H](NCC(=O)NNC(=O)c1cccc(C#N)c1)c1cccnc1	782984238	SDBFEXDUOFCZRH-GFCCVEGCSA-N	323.356	1.065	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2	783536711	AJHFGDFYBNQGEG-MJVIPROJSA-N	306.337	1.788	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccccc1-n1ccnn1	899996542	XORLQULSSYOJLQ-UHFFFAOYSA-N	318.406	1.175	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(-c3ccccn3)no2)nc1	781534445	JCLGPVXKBLWIJK-UHFFFAOYSA-N	311.301	1.897	50	20	DDGD	
CCc1csc(NC(=O)C(=O)NNc2ncccc2C)n1	789779483	QNTQSHNUEDOSPD-UHFFFAOYSA-N	305.363	1.491	50	20	DDGD	
Cc1csc(NC(=O)C(=O)NNc2ncccc2Cl)n1	784819412	QOINRZFVFRQMCY-UHFFFAOYSA-N	311.754	1.582	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCc2cccnc2C)n1	898926195	DEEPMGNDFUIZDG-UHFFFAOYSA-N	313.361	1.280	50	20	DDGD	
C[C@@H](C[C@H]1CCOC1)NC(=O)NNc1nc2ccccn2n1	790426220	YGHGNYMAWZRURP-WDEREUQCSA-N	304.354	1.171	50	20	DDGD	
O=C(CCOCC(F)(F)C(F)(F)F)NNC(=O)NC1CC1	790509528	MSSKHCAEBMUVPW-UHFFFAOYSA-N	319.230	1.084	50	20	DDGD	
CN(C)c1ccc(C=NNC(=O)c2ccc(O)c(O)c2)s1	794551813	SYMWXXGOCZGQSG-UHFFFAOYSA-N	305.359	1.989	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@@H]1Cc2ccc(F)cc21	792821295	DCJNXENSCDYBQD-OAHLLOKOSA-N	316.307	1.995	50	20	DDGD	
CC[C@@H]1C[C@H](CC(=O)NNC(=O)c2cccc(C)n2)CCO1	794076519	PYIJBMVRQLIVCK-CHWSQXEVSA-N	305.378	1.746	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCCN1CCCCCC1=O	791007760	JTKFDJPXUQWMMA-UHFFFAOYSA-N	319.409	1.809	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1oc(-c2ccccc2)nc1C	798305931	MFFJAMYNPVQTFE-UHFFFAOYSA-N	316.386	1.945	50	20	DDGD	
CC(C)(C)n1cc(C=NNC(=O)NCCc2cccs2)nn1	790159948	QNRXRJPMCYBHTI-UHFFFAOYSA-N	320.422	1.970	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNc1nc2ccccn2n1	791257288	DRHASLGPYBOWPK-UHFFFAOYSA-N	307.317	1.063	50	20	DDGD	
COc1cccc2c1CC[C@@H]2NS(=O)(=O)CBr	782470616	FMIBINQIJDKEFL-JTQLQIEISA-N	320.208	1.954	50	20	DDGD	
O=C(CCO)NN=Cc1ccc(-n2cnc3ccccc32)cc1	1318930392	AEVCYTQRHXGDSO-UHFFFAOYSA-N	308.341	1.858	50	20	DDGD	
C[C@@H](C(=O)NNc1cncc(Br)c1)n1ccnc1	1319627692	VQGIXQNKTWBBIK-QMMMGPOBSA-N	310.155	1.745	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@@H]2CCCCO2)cc1	1318098473	GXXYEAWATIOQQW-ZDUSSCGKSA-N	307.350	1.208	50	20	DDGD	
COc1cccc(NNC(=O)c2c[nH]c(Br)c2)n1	1319939608	NBEYEZMPOCSATG-UHFFFAOYSA-N	311.139	1.938	50	20	DDGD	
CCc1cc(C(=O)NNc2cncc(Br)c2)nn1C	1319988527	HOBIVNPGAZXERB-UHFFFAOYSA-N	324.182	1.897	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2ccccc2Cl)C1	1320632239	VCGZBOFEYOXGKX-NXEZZACHSA-N	323.780	1.393	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cnc(Cl)cc2C)nn1	1320587086	RETXQPGYZSRKOQ-UHFFFAOYSA-N	320.740	1.224	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)NC/C=C\C2CC2)cc1	1326781785	NHCXUXAGPWFLBH-UPHRSURJSA-N	314.345	1.234	50	20	DDGD	
COc1ccc(C(=O)NN=C[C@@H](OC)C2CCOCC2)cc1	1324551470	RQFHVZZETSKKJI-OAHLLOKOSA-N	306.362	1.852	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)CCl)CC2)c1	1320465532	KDVFJYKBHWWDFO-UHFFFAOYSA-N	324.808	1.592	50	20	DDGD	
COc1nccnc1NNC(=O)c1ncoc1[C@@H]1CCCO1	1320238367	ZVDPEIOGYTXGSR-QMMMGPOBSA-N	305.294	1.082	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cnn(Cc2cccnc2)c1	1320252172	APBDGJFZZZFEDE-LLVKDONJSA-N	316.365	1.525	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccccn1)c1ccc(F)c(F)c1	1252121259	GDCXXWATMKIAAX-SECBINFHSA-N	305.284	1.925	50	20	DDGD	
Cc1c(C(F)(F)F)n[nH]c1C(=O)NN[C@H](C)C(F)(F)F	1336568637	DEUSNBDBJZYHNB-SCSAIBSYSA-N	304.194	1.922	50	20	DDGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(F)cc1)c1nnnn1C	1337494652	AMEQRKIHHFNTBZ-FKVCUQLRSA-N	300.297	1.134	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1occ2c1CCOC2	1330915006	JEWSIXBGIKQVEY-UHFFFAOYSA-N	318.358	1.379	50	20	DDGD	
CCOC(=O)C[C@H]1CCCCC1=NNC(=O)C[n+]1ccccc1	1256370673	RRRIWOAUCZJDQM-CQSZACIVSA-O	318.397	1.590	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]1F)Nc1ccc(Br)cc1	1348612968	YQSGZLRUGIWRNG-DTWKUNHWSA-N	316.130	1.960	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cnn2c(C(F)F)cc(C)nc12	1348623879	SJYSWDVNXXTYOS-UHFFFAOYSA-N	313.264	1.318	50	20	DDGD	
N#C/C(=C/c1ccco1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	287097	YGWZPRNPUZGOKV-NTMALXAHSA-N	317.326	1.473	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@@H]1C[C@H]1c1ccncc1	1528383073	IDFUQKZKQLBDPY-DTWKUNHWSA-N	302.256	1.078	50	20	DDGD	
COC(=O)C1(C(=O)NNc2ccc(C(=O)O)c(Cl)c2)CC1	1606345960	BLDWOSLSMOBYBQ-UHFFFAOYSA-N	312.709	1.435	50	20	DDGD	
C[C@@H]1Nc2ccnn2[C@H](C)[C@@H]1CCC(=O)NNc1ncccn1	1520773801	XRPORUOSMVNLSR-QJPTWQEYSA-N	315.381	1.588	50	20	DDGD	
O=C(NCc1ccncc1)NNc1ccc(C(=O)O)c(F)c1	1608472319	ASFGPTMWWFGXSU-UHFFFAOYSA-N	304.281	1.745	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2CC23CCOCC3)c(F)c1	1608904481	VLHVNFYVKSGTCF-SNVBAGLBSA-N	308.309	1.784	50	20	DDGD	
O=C(C[C@H]1CCC(F)(F)C1)NNc1ccc(-c2nn[nH]n2)cn1	1606497179	UMSOYWHDXJORMH-MRVPVSSYSA-N	323.307	1.530	50	20	DDGD	
O=C(O)C1(C(=O)NNc2ccnc(Br)c2)CC1	1601702699	OABPQUHNFHUUPT-UHFFFAOYSA-N	300.112	1.152	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H](O)c2ccc(Cl)cc2)nc1	1608903790	PBTBTKJGYXHWLD-LBPRGKRZSA-N	321.720	1.610	50	20	DDGD	
NC(=O)[C@H]1CCC[C@H](C(=O)NNc2ccc(CC(=O)O)cc2)C1	1608230494	CAQRYRRZSLVODT-RYUDHWBXSA-N	319.361	1.049	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1ccc(Cl)cc1O	1605820881	JJROOEQGLLNGAP-UHFFFAOYSA-N	307.693	1.896	50	20	DDGD	
CC[C@H]1CCC1=NNC(=O)COc1ccccc1-c1nn[nH]n1	1609199931	JHPYJYQANBRWJD-JTQLQIEISA-N	314.349	1.538	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1ccc(Cl)c(C(=O)O)c1	1601555387	XZDKALJZROVDGV-UHFFFAOYSA-N	322.708	1.833	50	20	DDGD	
O=C(C(Cl)Cl)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(F)CC1)C2	1802347158	YTPJISRWRQSCTK-AYMMMOKOSA-N	323.195	1.930	50	20	DDGD	
CCc1nc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)cs1	1549320745	NQGBEOXKHGTSMM-RYUDHWBXSA-N	308.407	1.019	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)NN=C1COC(C)(C)C1	1549314387	IJWQAZODPHSELX-GXTWGEPZSA-N	320.393	1.559	50	20	DDGD	
Cc1ccc(CCC=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)cn1	1549319490	HZZFKVQZMHUIAE-JKSUJKDBSA-N	316.405	1.288	50	20	DDGD	
O=C(NN=Cc1c(F)cccc1F)[C@@H]1CN2CCC[C@H]2CO1	1549313932	GNKUUDAELCFENY-HZMBPMFUSA-N	309.316	1.278	50	20	DDGD	
CC(=O)N1CC[C@H](CNC(=O)[C@@H](F)Cl)[C@H]1c1cccnc1	1808310857	KJAXVVSSGZMWOS-JHJVBQTASA-N	313.760	1.642	50	20	DDGD	
CC1(C)CC[C@@H](CC(=O)NNc2ncccc2C(=O)O)OC1	1573667734	TZLWLRNGYNXTQI-JTQLQIEISA-N	307.350	1.818	50	20	DDGD	
O=C(O)CC1(C(=O)NNc2cc(O)nc3ncccc23)CCC1	1574671769	XZMKZACDKFQWDW-UHFFFAOYSA-N	316.317	1.424	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H](CC)NC)C1	1843005124	JCFAPSUXEZUHEV-RYUDHWBXSA-N	315.845	1.205	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@H]2CC[C@H]2C(=O)O)c1	1593704335	SBKVZQAYMUYDIK-NWDGAFQWSA-N	320.349	1.334	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNc1ccc(CC(=O)O)cc1	1595922573	PJKCADBPWLNQCT-UHFFFAOYSA-N	321.377	1.453	50	20	DDGD	
CN(C)c1cc(C(=O)O)ccc1NC(=O)NNC(=O)CC1CC1	1598300070	BJDNCZZUKGJPON-UHFFFAOYSA-N	320.349	1.404	50	20	DDGD	
CCC(N)(CC)CNC(=O)NNc1ccc(C(=O)O)c(F)c1	1595224222	ZPBQGRGRYONWMJ-UHFFFAOYSA-N	312.345	1.668	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C(=O)O)c1ccc(OC)cc1	1596864343	UZRKDEDMHVSTKB-STRFDMGBSA-N	304.302	1.381	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2C[C@H](C(=O)O)C2)cc1	1592426529	UTZQBMMAMWOLMB-YVXMKKGESA-N	314.341	1.972	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=CCC(C)(C)C(=O)O)c1	1599450750	WMKZDGWBVCFKPV-UHFFFAOYSA-N	308.334	1.920	50	20	DDGD	
O=C(NCC(F)(F)F)NN=Cc1cc(Cl)ncc1C(=O)O	1776036347	AKPKYCMAPZTSCA-UHFFFAOYSA-N	324.646	1.629	50	20	DDGD	
C[C@@H]1C(=NNC(=O)[C@H]2CCN2C(C)(C)C)CC[C@H]1CC(=O)O	1776098700	VDHOQOXAIHYUEW-GMXVVIOVSA-N	309.410	1.852	50	20	DDGD	
O=C(C(Cl)Cl)N1CCO[C@@]2(CCN(C(=O)C3CC3)C2)C1	1784910299	WGIQYHZETKWDJV-CYBMUJFWSA-N	321.204	1.030	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCOCC2)cc1)c1ccccn1	12486806	ITXZMJZIGJEXAF-UHFFFAOYSA-N	310.357	1.682	50	20	DDGD	
CN(Cc1cccn1C)C(=O)NNC(=O)c1cccc(C#N)c1	158841777	BOBPXLXKUQUWME-UHFFFAOYSA-N	311.345	1.383	50	20	DDGD	
COC(=O)NNC(=O)c1csc(Cc2ccc(F)cc2)n1	158915487	FAHDWCWMBOITDA-UHFFFAOYSA-N	309.322	1.874	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ccccc1)N1CCCS1(=O)=O	151327049	UOWQOLUNFLGGGI-ZDUSSCGKSA-N	311.407	1.190	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)c1cc2occc2[nH]1	153258412	FKAXBNDBAHKQHR-UHFFFAOYSA-N	323.312	1.412	50	20	DDGD	
O=C(NNc1ncccn1)Nc1ccccc1Cn1cncn1	157613264	ZEIGZICGCFMHSC-UHFFFAOYSA-N	310.321	1.265	50	20	DDGD	
CNC(=O)NCC(=O)NNc1ccc(Br)c(C)c1	155290616	AEXXKRGGGUDEBN-UHFFFAOYSA-N	315.171	1.130	50	20	DDGD	
Cn1cnc2cc(C(=O)NNc3ncccc3[N+](=O)[O-])ccc21	157271627	YDRBXKUQVSKFGR-UHFFFAOYSA-N	312.289	1.633	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cccc(-c2ncn[nH]2)c1	155900816	NMAHOVXFTPZRTA-UHFFFAOYSA-N	301.350	1.669	50	20	DDGD	
O=C(NCc1ccc(F)cc1)C(=O)NNc1c(F)cccc1F	156558895	AMOMTIYDEKXGFK-UHFFFAOYSA-N	323.274	1.863	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(F)c(OC)c2)n1	159007914	MMYWQGSKBZUKOQ-UHFFFAOYSA-N	306.297	1.698	50	20	DDGD	
O=S(=O)(NC[C@H]1CCOC1)c1ccc(CCCl)cc1	37843540	SSBWWETVONLEJB-GFCCVEGCSA-N	303.811	1.783	50	20	DDGD	
CCCN(CC(=O)NC)S(=O)(=O)c1ccc(CCl)cc1	312928941	XSLUJLQSKYXPBS-UHFFFAOYSA-N	318.826	1.572	50	20	DDGD	
CC(C)COC[C@H](O)CN(C)NC(=O)OCc1ccccc1	859389048	ABCLSMATALOSDD-OAHLLOKOSA-N	310.394	1.793	50	20	DDGD	
CCN(C)[C@H](C(=O)NNC(=O)c1cccn1C)c1ccccc1	103186084	SJIZVMQSFGENPE-HNNXBMFYSA-N	314.389	1.479	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3cnccn3)[nH]n2)cc1	10548036	KRNLRVPREHRCBI-UHFFFAOYSA-N	322.328	1.250	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H](C)NC(=O)c2cccs2)n1	22235930	QQTLIOIKRPNOGN-SNVBAGLBSA-N	319.390	1.417	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2ccc([N+](=O)[O-])cc2)n1	57006079	LGGLMYFEDYIHGF-UHFFFAOYSA-N	316.321	1.828	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)NC1CCCCC1)N1CCSCC1	179150844	NYNSKRGNMVWSHY-NSHDSACASA-N	314.455	1.087	50	20	DDGD	
CC[C@@H](CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)C(C)C	105365253	JPOJPAWSQPIYQS-STQMWFEESA-N	304.456	1.551	50	20	DDGD	
Cc1cccc(NNC(=O)Cc2c(C)[nH]c3ccnn3c2=O)c1	109427970	JZHBBVOGZZOYLR-UHFFFAOYSA-N	311.345	1.325	50	20	DDGD	
C#CCN1CCC(C(=O)NNc2ccccc2[N+](=O)[O-])CC1	57153707	FAKAZIPLWPRVBS-UHFFFAOYSA-N	302.334	1.383	50	20	DDGD	
Cc1cccnc1NC(=O)NNC(=O)COCc1ccccc1	172641673	ODZXAPYLMDVOEH-UHFFFAOYSA-N	314.345	1.760	50	20	DDGD	
O=C(CN[C@H](c1ccccc1)C1CCC1)NNC(=O)C1CC1	112980116	LQWQVBQUSAIRHN-MRXNPFEDSA-N	301.390	1.675	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Cc1c(C)nn(C)c1C	67436180	FEEUVXJTFXIYIE-UHFFFAOYSA-N	316.361	1.049	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1nc(-c2cccs2)no1	65832341	XHIWRYKXQWMKHH-CLFYSBASSA-N	304.331	1.858	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](OC)c2ccccc2)n1	174476039	OERYBBANPQCUHD-ZDUSSCGKSA-N	302.334	1.624	50	20	DDGD	
Cc1noc(CCCC(=O)NNC(=O)c2ccc(C#N)cc2)n1	61463668	HOHADEXTBGOQOJ-UHFFFAOYSA-N	313.317	1.034	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NC[C@H]1CCc2ccccc21	111878786	PSTSNEHACSMZNW-OAHLLOKOSA-N	324.384	1.685	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cnc(C)nc2C(C)C)n1	174482882	DPJRKUQYTUZJTQ-UHFFFAOYSA-N	316.365	1.772	50	20	DDGD	
C[C@@H](Oc1cccnc1)C(=O)NNc1ccccc1[N+](=O)[O-]	117742240	ISHSHJOQPWDCLY-SNVBAGLBSA-N	302.290	1.900	50	20	DDGD	
O=C(NNc1ccccc1)[C@H]1CC(=O)N(CC(F)(F)F)C1	111553650	QTBXTPOVHQEXEA-VIFPVBQESA-N	301.268	1.541	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NNC(=O)N(C)C	112884995	MGYQGEAEIPJXRQ-SSDOTTSWSA-N	303.721	1.549	50	20	DDGD	
CC[C@@H](C)N(C)CCNC(=O)NNC(=O)Cc1ccccc1F	66926473	QPBBMNZJZZMHOL-GFCCVEGCSA-N	324.400	1.429	50	20	DDGD	
Cn1ccc(NNC(=O)[C@H]2CCCN(CC(F)(F)F)C2)n1	1344049707	RTCUYOOHCBNXLR-VIFPVBQESA-N	305.304	1.138	50	20	DDGD	
Cc1ccc(Cl)c(O[C@@H](C)C(=O)NNC(=O)NC2CC2)c1	64900334	ULWMQFHETVPWID-VIFPVBQESA-N	311.769	1.909	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)CC(F)(F)F)o1	64048627	SEZLFUZUYKKJFN-UHFFFAOYSA-N	321.299	1.835	50	20	DDGD	
O=C(NNc1ccccc1OC(F)(F)F)N[C@H]1CCOC1=O	1346112583	AGDJHUSUGDUJHJ-QMMMGPOBSA-N	319.239	1.527	50	20	DDGD	
CCc1c(C(=O)NNC(=O)NCCCOC)[nH]c(C)c1C(C)=O	65204809	CFDQNCNVWFJQFT-UHFFFAOYSA-N	324.381	1.069	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C1[C@@H]2CCC[C@@H]12	177594209	OPUCLSRXMVDYGS-VXGBXAGGSA-N	318.373	1.658	50	20	DDGD	
Cn1cnc(-c2ccc(NC(=O)NNc3ncccn3)cc2)n1	121509269	IYCMARABEICOQQ-UHFFFAOYSA-N	310.321	1.421	50	20	DDGD	
CC1(C)C(C(=O)NNC(=O)Cn2cnc3ccccc32)C1(C)C	72796475	MQVMDHAKOFSJSG-UHFFFAOYSA-N	314.389	1.866	50	20	DDGD	
CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)NNC(=O)C(C)(C)C)C1	78326002	AFNFVIGGIXGINO-FLCAKIMKSA-N	317.455	1.443	50	20	DDGD	
COc1ccccc1CC(=O)N1CCC(NC=C(C#N)C#N)CC1	125531155	PIHYFRRNUGOULS-UHFFFAOYSA-N	324.384	1.749	50	20	DDGD	
COc1ccc(Cl)cc1NCCC(=O)NN(C)C(N)=O	181061551	SHJNKCPGQQYBMM-UHFFFAOYSA-N	300.746	1.192	50	20	DDGD	
Cc1cc2cc(NC(=O)NNC(=O)Cc3cc[nH]n3)ccc2[nH]1	184967582	QYYRSZDEXBFROL-UHFFFAOYSA-N	312.333	1.595	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)CCc2c[nH]cn2)c1	188424702	NNNQXZOPDQNYOZ-UHFFFAOYSA-N	316.361	1.186	50	20	DDGD	
Cc1cc(OC(=O)Cn2ccc([N+](=O)[O-])n2)ccc1[N+](=O)[O-]	123562594	CYZCMILZXYEAJU-UHFFFAOYSA-N	306.234	1.614	50	20	DDGD	
Cc1cccc(NNC(=O)c2c(C)oc3ncn(C)c(=O)c23)c1	72767133	BVAYKUUQODMHPH-UHFFFAOYSA-N	312.329	1.900	50	20	DDGD	
CC(C)[C@@]1(C)C[C@H]1C(=O)NNC(=O)c1ccc2c(c1)OCCO2	185289015	LMUHPYNGNCRIBV-YVEFUNNKSA-N	318.373	1.901	50	20	DDGD	
CCn1nc(C)c(NC(=O)NNC(=O)c2cc(C)n[nH]2)c1C	183651615	HJPYRALFFCYTIW-UHFFFAOYSA-N	305.342	1.018	50	20	DDGD	
CC(C)c1noc(CCC(=O)NNc2nnc(C3CC3)s2)n1	184506201	RBHCXKFPBNBEMI-UHFFFAOYSA-N	322.394	1.998	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1ccccc1)N1CCC[C@@H](C)C1	46367228	XIFWDQJDMXKOHT-KGLIPLIRSA-N	318.421	1.751	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCCn2nc(C)cc2C)n1	43099573	RDEKQLGMZYFKGE-UHFFFAOYSA-N	317.397	1.623	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccccc1)c1ccc(Cl)cc1F	82991362	HPAZJFMKNDDLHL-CYBMUJFWSA-N	322.723	1.974	50	20	DDGD	
CS[C@H](C)C(=O)NNC(=O)c1cccc(Br)c1	80965768	GTMUDXQCKQGPRY-SSDOTTSWSA-N	317.208	1.962	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccc(O)cc2O)cc1	192695242	GELVJUJBCUQTBC-UHFFFAOYSA-N	300.314	1.735	50	20	DDGD	
CCN(C)C(=O)[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(F)cc1	191566121	LTXCRPRDDJWHCX-NASPGAHYSA-N	303.337	1.716	50	20	DDGD	
CCCNC(=O)CCC(=O)NNc1ncnc2ccsc12	132401918	RSXZLWLWERLKFM-UHFFFAOYSA-N	307.379	1.441	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCC(=O)c1ccc(C)s1	47340549	MKKRKVBFHNMLRX-UHFFFAOYSA-N	311.432	1.701	50	20	DDGD	
O=C(Cc1ccccc1[N+](=O)[O-])NNC(=O)NC1CCCCC1	192750183	HCIHTKGSYLHPDX-UHFFFAOYSA-N	320.349	1.800	50	20	DDGD	
C[C@H]1CCCC[C@@H]1NC(=O)NNc1ccc(-n2cccn2)nn1	43043085	YRBXZENXYQEQEE-RYUDHWBXSA-N	315.381	1.867	50	20	DDGD	
C[C@@H](CBr)CN1CCN(c2nccn2C)CC1	134035462	JKJXEIAADXQXEZ-NSHDSACASA-N	301.232	1.573	50	20	DDGD	
CC(C)NC(=O)CCCC(=O)NNc1cnc2ccccc2n1	193552255	YMSFWTKLRPALFL-UHFFFAOYSA-N	315.377	1.768	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnc3ccccc3n2)c(O)c1	80387810	MJRIKPVSNKBOMZ-UHFFFAOYSA-N	322.324	1.719	50	20	DDGD	
C[C@H](CC(=O)O)SCC(=O)NNC(=O)c1cccs1	90097018	RAGJZSOGBJQUGY-SSDOTTSWSA-N	302.377	1.106	50	20	DDGD	
Cc1cc(C)cc(OCCC(=O)NNC(=O)c2ccc[nH]2)c1	97132548	HFYAXMCHEYBJSE-UHFFFAOYSA-N	301.346	1.862	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1cccnc1)[C@@H]1C[C@H]2CC[C@H]1C2	245822067	MJMZZLYGSJZJFQ-DHMWGJHJSA-N	316.405	1.779	50	20	DDGD	
CSCCNC(=S)NNC(=O)COCc1ccccc1	269863844	SFWKKVKMNQPDHV-UHFFFAOYSA-N	313.448	1.062	50	20	DDGD	
C[C@H]1C[C@H](CNC(=O)NNC(=O)Cc2ccc(F)cc2)CCO1	271596238	KPSBHMXDUKXWFR-WCQYABFASA-N	323.368	1.514	50	20	DDGD	
COc1cccc(OC)c1S(=O)(=O)N1CC=C(C#N)CC1	274727070	GDUBCLISBQLADV-UHFFFAOYSA-N	308.359	1.548	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1cccc(Cn2cncn2)c1	273499253	QDOMYPDFTDAPFR-UHFFFAOYSA-N	314.349	1.279	50	20	DDGD	
COCCN(Cc1ccco1)S(=O)(=O)CBr	271385593	KZAUOHXJZJGMNG-UHFFFAOYSA-N	312.185	1.410	50	20	DDGD	
CC(C)(O)CC(=O)NNC(=O)c1ccc(Br)s1	279875709	HUQOONNMTZGQSD-UHFFFAOYSA-N	321.196	1.433	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@@H]2CCCCS2)cc1	273040647	GCNOHOFLQOQPOV-ZDUSSCGKSA-N	323.418	1.540	50	20	DDGD	
Cc1ccn(C[C@](C)(O)C(=O)NNc2ccccc2F)c(=O)c1	279687496	BGCRBYBTIXKJHE-INIZCTEOSA-N	319.336	1.190	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)n1	278739808	QVLFMYZPUALNIV-JTQLQIEISA-N	321.381	1.116	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)NNC(=O)c1cccn1C)C(F)(F)F	278687543	PNCYABKSKZWABN-WPRPVWTQSA-N	320.315	1.946	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NC[C@H]1CCSC1	279597499	QUUBKINDJQQXTF-LLVKDONJSA-N	311.382	1.452	50	20	DDGD	
N#CC1=CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1	272352474	AMXZGWVQWCZZQU-UHFFFAOYSA-N	312.329	1.640	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)c2cccc3ncccc23)CCO1	272070698	LJZWXTRWFDCZBT-RYUDHWBXSA-N	313.357	1.811	50	20	DDGD	
CCOc1cc2c(cc1NC(=O)NNC(=O)OC)OCCO2	275196208	FDCYPTUQCKZSRH-UHFFFAOYSA-N	311.294	1.249	50	20	DDGD	
COC1(CNC(=O)NNc2ncnc3ccsc23)CCC1	272467852	DDNWMVJFWCWQLH-UHFFFAOYSA-N	307.379	1.887	50	20	DDGD	
CCOc1c(Cl)cc(C(=O)NN(C)C(N)=O)cc1OC	271266960	HTPLCHMVYHZHHS-UHFFFAOYSA-N	301.730	1.403	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cc3c(cn2)OCCC3)n1	376287653	VJHHUFIBBYWLSZ-UHFFFAOYSA-N	314.349	1.020	50	20	DDGD	
CC(C)n1cnc(C(=O)NNC(=O)COc2ccccc2F)c1	281467536	GIBLMBIIEPLPHM-UHFFFAOYSA-N	320.324	1.443	50	20	DDGD	
CCCSCC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	282965156	UZLJRGLXZPECQC-UHFFFAOYSA-N	309.391	1.224	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2CCOc3ccccc32)n1	373716538	VOCKRYRSQBWHMT-CYBMUJFWSA-N	311.341	1.717	50	20	DDGD	
COCCN(C)NC(=O)CCN(Cc1ccccc1)C(C)=O	288068390	AJKLTPAIVVUIQL-UHFFFAOYSA-N	307.394	1.035	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1CCCCS1(=O)=O	281833733	SIGXUSWFCUMDEI-ZDUSSCGKSA-N	310.419	1.968	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNc1cccc(S(C)(=O)=O)c1	280512434	QCSOCHPCKJABJU-CYBMUJFWSA-N	300.380	1.348	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)N[C@H]1CCCc2nn(C)cc21	282464381	OUFPLSMDWOGVKV-LBPRGKRZSA-N	307.398	1.564	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)COCc1ccccc1	280110734	LHDPZSVQXHIBFA-TZMCWYRMSA-N	318.373	1.356	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)Cc1nc2ccccc2n1C	280956868	KEACQAXLUGXHGM-MRXNPFEDSA-N	318.377	1.078	50	20	DDGD	
COCc1ncc(C(=O)NNC(=S)N[C@H](C)C2CC2)s1	286428656	GYAVTQKLVPRFKT-SSDOTTSWSA-N	314.436	1.197	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCNC[C@@](C)(F)C1	295183333	HUWTUTDZJCYSTA-CQSZACIVSA-N	316.808	1.512	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNC(=O)Cc1c[nH]c2ccccc12	809982320	BJXHRTBVKIUNPL-MRXNPFEDSA-N	301.346	1.185	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1	297231661	YJXMZDMHSNZJKS-ZDUSSCGKSA-N	320.368	1.133	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1CC(c2c(F)cccc2F)=NO1	294325429	JCOLELDZCVLSHP-GFCCVEGCSA-N	313.304	1.067	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc2n[nH]cc2c1	807368547	IPGRATJJEOMTAQ-UHFFFAOYSA-N	320.349	1.113	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)C(F)(F)C(F)F	804957790	BDKOCPONSUEJNT-UHFFFAOYSA-N	304.207	1.006	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cnc(S)n1-c1ccccc1	294268907	UVPNUNAHVPFRSF-UHFFFAOYSA-N	316.386	1.722	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C1C[C@H](C)C[C@@H](C)C1	807371730	OTEALUWFOXDSDX-VXGBXAGGSA-N	314.426	1.995	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CCCCO2)ccc1N(C)C	296292820	IVFLEEJWPRLFDZ-AWEZNQCLSA-N	320.393	1.783	50	20	DDGD	
Cc1csc([C@@H](C)CNC(=O)NNc2ncncc2F)n1	293166760	XVHCZWFSUGDNED-ZETCQYMHSA-N	310.358	1.810	50	20	DDGD	
CC[C@H](C)[C@H](C)NC(=O)NNC(=O)COc1ccccc1F	299150203	FSVHEIZNYYBSOZ-QWRGUYRKSA-N	311.357	1.970	50	20	DDGD	
Cc1ccc(CCC(=O)NCC(=O)NNC(=O)CC(C)C)cc1	299541896	WPOHATGPZDGJTF-UHFFFAOYSA-N	319.405	1.237	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)c(F)c1)NCC(Cl)Cl	294804625	WFQZWXFSROXAFZ-UHFFFAOYSA-N	311.115	1.615	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc2c(c1)CCCCC2=O	291402727	FEMFEWNAQXQVHS-UHFFFAOYSA-N	317.414	1.891	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCC2CCOCC2)c1	299481847	CFTOLJDNITVGJV-UHFFFAOYSA-N	321.377	1.131	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCO[C@H](CC)C1	807369113	QKSXOTJTXALICX-VXGBXAGGSA-N	316.398	1.128	50	20	DDGD	
O=C(COc1ccc(Cl)c(F)c1)NNC(=O)c1ccc[nH]1	814796399	BNGMHOJQAMWHGU-UHFFFAOYSA-N	311.700	1.647	50	20	DDGD	
C[C@@H]1CCCC[C@H]1C(=O)NNC(=O)CNC(=O)c1cccs1	819213022	HEWVKLBFBXPKHT-GHMZBOCLSA-N	323.418	1.452	50	20	DDGD	
COCCN1[C@H]2CC[C@H]1CC(=NNC(=O)NCC(F)(F)F)C2	814811973	BSTXDADJSXFBBA-QWRGUYRKSA-N	322.331	1.477	50	20	DDGD	
CS(=O)(=O)Cc1cccc(C(=O)NCC(Cl)Cl)c1	816605166	NJKNPVZZZABUMN-UHFFFAOYSA-N	310.202	1.765	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)c1ccc2ccccc2n1	812450415	HSIVRLQGDANRLF-NEPJUHHUSA-N	315.373	1.914	50	20	DDGD	
C#CCONC(=O)/C(C#N)=C\c1cc(C)n(CCOC)c1C	812781841	INDKQWZMHAJHSW-GDNBJRDFSA-N	301.346	1.339	50	20	DDGD	
CCOc1ccc(NNC(=O)CN2CCCCCC2=O)cc1	817921101	ISIGLIOMDYUKAB-UHFFFAOYSA-N	305.378	1.931	50	20	DDGD	
Cc1ccc(C2(C(=O)NNC(=O)Cc3cc[nH]n3)CCC2)cc1	819250495	AHGKWSCUULETEB-UHFFFAOYSA-N	312.373	1.530	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CC[C@@H](c2nc[nH]n2)C1	819723669	FBNGDBCQUHBSFE-RKDXNWHRSA-N	315.215	1.930	50	20	DDGD	
O=C(NN=Cc1cnn2cccnc12)Nc1ccc2c(c1)OCO2	814992491	GERIDBJZHJHLAE-UHFFFAOYSA-N	324.300	1.614	50	20	DDGD	
O=C(COc1ccc(F)c(Cl)c1)NNc1ncncc1F	817083540	MIIRDWSNUFZZPA-UHFFFAOYSA-N	314.679	1.930	50	20	DDGD	
CN1CCc2nc3ccccc3c(C(=O)NN(C)C3CC3)c2C1	819650065	SEFVWODACXKUEX-UHFFFAOYSA-N	310.401	1.962	50	20	DDGD	
N#Cc1ccsc1NC(=O)C(=O)NNc1cccc(F)c1	815584784	OXDYXXLGALDCLB-UHFFFAOYSA-N	304.306	1.841	50	20	DDGD	
C=CCNC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1cccc(OC)c1	729272675	VDLLQLSTDLPIRL-ZMTLZGASSA-N	314.341	1.836	50	20	DDGD	
CC(Cc1ccc(F)cc1)=NNC(=O)[C@@H](C)CN1CCOCC1	814762557	DEZSOLIRNXIWHM-ZDUSSCGKSA-N	321.396	1.829	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1cc(F)c(N)c(F)c1	814824008	DUCWPAFGIWYFFY-UHFFFAOYSA-N	310.304	1.010	50	20	DDGD	
COc1ccnc(NNC(=O)Cc2c[nH]c3cccc(C)c23)n1	728860877	AEZWYYKELVIDIH-UHFFFAOYSA-N	311.345	1.961	50	20	DDGD	
N#CCCCC(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1	812495748	VYJDVVCNVRZSLM-UHFFFAOYSA-N	322.390	1.264	50	20	DDGD	
O=C(O)c1cc(C=NNC(=O)c2cc([N+](=O)[O-])ccc2O)c[nH]1	814858274	RKIILZNPZNULDA-UHFFFAOYSA-N	318.245	1.091	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNC(=O)c1cc2c(s1)CCC2	729299869	JKKQMFZDIZLVNO-GFCCVEGCSA-N	321.446	1.872	50	20	DDGD	
Cn1nncc1NNC(=O)c1cccc(OCc2cccnc2)c1	816770707	IUZDDSRBIAARAA-UHFFFAOYSA-N	324.344	1.546	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(-c3nn[nH]n3)s2)cc1	821838025	JOQPZQASASAXMY-UHFFFAOYSA-N	316.346	1.694	50	20	DDGD	
C#C[C@H](CC)NC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	491631071	PXGLVLTZRYMJNW-SECBINFHSA-N	304.306	1.163	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	494141796	LMQPGIQXMGSUGG-JTQLQIEISA-N	301.387	1.485	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)CSC(F)F	822234531	YMTXRDHZNNEVSB-UHFFFAOYSA-N	314.317	1.360	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCCC(=O)OC(C)(C)C)cn1	491044696	CTTNXNJQOAJDPJ-KPKJPENVSA-N	304.350	1.175	50	20	DDGD	
CCN(CCO)NC(=O)/C(=C\c1ccccc1)C(F)(F)F	823889004	FAZMVHCZDGZTFP-ZRDIBKRKSA-N	302.296	1.978	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@@H]2CC23CCSCC3)n1	828005784	ALJCYQUSJHSXRI-ZETCQYMHSA-N	313.814	1.689	50	20	DDGD	
Cc1cccc(CC(=O)NNC(=O)Cn2nc(C)cc2C)c1	726767054	DUJRVHPSXBXBQI-UHFFFAOYSA-N	300.362	1.198	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccccc1NS(C)(=O)=O	490755517	VXRXZWMTGXWJCW-MDZDMXLPSA-N	309.347	1.441	50	20	DDGD	
O=C(NCC1SCCS1)NNc1cncc(Cl)n1	823411363	NUAUMWRMZAGSDW-UHFFFAOYSA-N	305.816	1.562	50	20	DDGD	
CCNC(=O)NNC(=O)c1cccn2cc(C(F)(F)F)nc12	823798286	CAUGNUGAZYPJLT-UHFFFAOYSA-N	315.255	1.317	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCN(c3ccccc3)C2)o1	826757971	IKKVDQNFLGEZIC-ZDUSSCGKSA-N	313.357	1.876	50	20	DDGD	
O=C(CCc1ccccc1C(F)(F)F)N1CC[C@H](B(O)O)C1	585066407	LTBAOTWVOZTXKN-NSHDSACASA-N	315.100	1.713	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(Cl)nc(C(F)(F)F)c1	823946717	NMCHQTPLJTZXLO-LURJTMIESA-N	311.691	1.711	50	20	DDGD	
COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2nccs2)[nH]1	490727031	XBKWAWUPODJCBJ-SOFGYWHQSA-N	302.315	1.803	50	20	DDGD	
C[C@H](C(=O)NN(C)C(=O)OC(C)(C)C)N1CCSCC1	496370210	QLHQOEIWICGZEX-SNVBAGLBSA-N	303.428	1.322	50	20	DDGD	
CC[C@H](CSC)NC(=O)NNc1cccc(-c2nn[nH]n2)c1	825126010	GTVHCVDGZWBDKV-SNVBAGLBSA-N	321.410	1.634	50	20	DDGD	
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NNC(=O)O	738424898	GGVCAJRTJUSPMM-UHFFFAOYSA-N	309.225	1.038	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H](Nc2ccccc2)C1	584964069	HBTMUZYWQNWILS-QGZVFWFLSA-N	324.189	1.083	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)CO[C@@H]2CCC[C@@H](C)C2)n1	732950174	SBGVSFOQMJPOQV-BXUZGUMPSA-N	322.409	1.243	50	20	DDGD	
CO[C@@H]1COCC[C@@H]1CNC(=O)/C(C#N)=C/c1ccc(O)cc1	491012846	SEJNMCFUUFXEFO-DPXMASKKSA-N	316.357	1.467	50	20	DDGD	
Cc1ccc(C[C@H]2CCCN2C(=O)c2cccc(B(O)O)c2)cc1	584945993	NVQZUWZYCVICKP-GOSISDBHSA-N	323.201	1.522	50	20	DDGD	
CC[C@H](C)[C@@H](NNC(=O)Cn1ccc2ccccc21)C(=O)OC	905759703	OGRDGJLMOBQEAJ-BLLLJJGKSA-N	317.389	1.850	50	20	DDGD	
Cc1cn(C)nc1C(=O)NNC(=O)c1cc2c(s1)CCC2	839472584	BWKSXPZYLUHZIB-UHFFFAOYSA-N	304.375	1.354	50	20	DDGD	
C=CCOC(=O)/C(C#N)=C/c1ccc(OC)c(-c2nn[nH]n2)c1	735437017	CPZBWRAVYKHRJO-YRNVUSSQSA-N	311.301	1.511	50	20	DDGD	
CC(C)c1ccc(NNC(=O)C(=O)Nc2cnn(C)c2)cc1	835972739	NFRKKIRLVDOUEP-UHFFFAOYSA-N	301.350	1.625	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@H](O)C(C)(C)C)cc1OC	735836103	DERRZQMXPROQPA-ZDUSSCGKSA-N	324.377	1.262	50	20	DDGD	
CC1(C)CC[C@H]1NC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836456005	HEUBRUIQLKHYKB-GFCCVEGCSA-N	320.349	1.940	50	20	DDGD	
C[C@H]1CCCN(C(C)(C)CNC(=O)NNC(=O)C2CCC2)C1	732241739	DVBTUPHABVGJJG-LBPRGKRZSA-N	310.442	1.627	50	20	DDGD	
Cc1cc(C(=O)NN(C)C(=O)OC(C)(C)C)c(N)c([N+](=O)[O-])c1	838369382	GQBXCNNXBXQHJO-UHFFFAOYSA-N	324.337	1.997	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1cncc(F)c1	737433633	GGUPYJPCPLXRNH-UHFFFAOYSA-N	304.281	1.084	50	20	DDGD	
CCCOc1ccc(CNCc2ccc(B(O)O)cc2F)cc1	585017023	IKJSXBXEGGNBLY-UHFFFAOYSA-N	317.169	1.584	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccc3c(c2)C[C@H](C)O3)n1	901149668	NOFWXPLLASMDFZ-ZDUSSCGKSA-N	312.373	1.974	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NCC[C@@H](C)OC)ccc1F	838185124	GHPVKRWUDSNZAE-SECBINFHSA-N	313.329	1.663	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1CCN1CCN(S(=O)(=O)CCl)CC1	830316992	DDUFVKKJJCWXFX-BETUJISGSA-N	323.890	1.003	50	20	DDGD	
CN(CC(=O)NNc1cc(C(F)(F)F)ccc1F)C(=O)O	833692082	KXEJQZXQYYDOCE-UHFFFAOYSA-N	309.219	1.897	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)Cc2cccc(C3CC3)c2)nn1	839700803	KOGULINWLJJXIR-UHFFFAOYSA-N	311.345	1.139	50	20	DDGD	
CS[C@H]1CCN(CC(=O)NNC(=O)c2ccc(C)cc2)C1	830878238	OCBRMMGMZGEZLR-ZDUSSCGKSA-N	307.419	1.193	50	20	DDGD	
Cc1ccc(C=NNC(=O)Cc2cc(O)nc(S)n2)s1	730587542	NDCNTPZKWCEPIR-UHFFFAOYSA-N	308.388	1.534	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCO[C@H](c3cccs3)C2)o1	585044330	FNRFVJRSSQZCQW-JQWIXIFHSA-N	307.180	1.031	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCOC[C@H]1C(=O)O	836725674	RGIZONZPSLNHIP-YUMQZZPRSA-N	308.172	1.108	50	20	DDGD	
C[C@H]1[C@H](NCc2ccccc2B(O)O)CCN1Cc1ccccc1	585040214	CBCJLUVJFCPMIB-HNAYVOBHSA-N	324.233	1.119	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@]2(C)CC2(Cl)Cl)n1	838667494	HOHARIBWMGPXTQ-SNVBAGLBSA-N	320.180	1.695	50	20	DDGD	
O=C(N[C@H]1CC[C@@H](Cc2ccccc2)C1)c1cccc(B(O)O)c1	584979071	KDKCXTCGKLONNL-YJBOKZPZSA-N	323.201	1.508	50	20	DDGD	
CCOc1ccc(CNCc2ccc(B(O)O)cc2F)cc1F	585019970	LNVYCCOBTSQTND-UHFFFAOYSA-N	321.132	1.333	50	20	DDGD	
N#CCc1ccccc1CC(=O)NNC(=O)[C@@H]1CCCCO1	833242795	OOMBBBIYEWOLRS-AWEZNQCLSA-N	301.346	1.012	50	20	DDGD	
Cc1cc(C(=O)COC(=O)/C(C#N)=C/c2cnn(C)c2)c(C)[nH]1	837969733	RHJGKGYJKCEDCU-WLRTZDKTSA-N	312.329	1.698	50	20	DDGD	
CCN(C[C@H]1CCN(S(=O)(=O)CCl)C1)CC(F)(F)F	830778276	IXCYCUMJLOTPEP-SECBINFHSA-N	322.780	1.719	50	20	DDGD	
CC[C@@H](COCC(F)(F)F)NC(=O)NNC(=O)C(C)(C)C	836292960	YGKHVELRNMDALJ-QMMMGPOBSA-N	313.320	1.720	50	20	DDGD	
O=C(NN=Cc1cccc2c1OCCCO2)[C@H]1CCCCO1	834988619	LHZGHAMZXQBACY-CQSZACIVSA-N	304.346	1.867	50	20	DDGD	
COc1cc(/C=C(\C#N)C(=O)O)c([N+](=O)[O-])cc1OCC(=O)O	730439453	LCRYBRXRAKLDSF-KRXBUXKQSA-N	322.229	1.058	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@@H]1CCC[C@H]1c1ccccc1	838646693	VYKNFDYOOYUMJY-GJZGRUSLSA-N	319.405	1.937	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNc1cccc(C(=O)OC)c1	839721691	NQYPSJQHNDSSEM-LBPRGKRZSA-N	308.334	1.506	50	20	DDGD	
C[C@H](OC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)NC1CCCC1	837968970	IDUIFXAULWTBLY-DELQEKLWSA-N	316.361	1.318	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@@H]2CCCCO2)cc1[N+](=O)[O-]	834989603	QPXLAIDBEPLSDV-ZDUSSCGKSA-N	307.306	1.623	50	20	DDGD	
C[C@H]1CC[C@@H](C)CC1=NNC(=O)N[C@H]1CCS(=O)(=O)C1	834944050	JUFRZAHLAWNMBQ-VWYCJHECSA-N	301.412	1.285	50	20	DDGD	
C#CCNC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1cccc(OC)c1	744568060	OGDUQSGKHSCELN-OJLMPMFISA-N	312.325	1.283	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cnc(-c3ccccc3)[nH]2)n1	746624090	SSQLEZRWGARBJD-UHFFFAOYSA-N	324.344	1.941	50	20	DDGD	
CN(C)[C@@]1(CNC(=O)NNc2ccc(F)cc2)CCSC1	748647055	KYICGWHEBNAFAP-CQSZACIVSA-N	312.414	1.889	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)cc1	916346830	XAXDVWFNVWIKBN-UHFFFAOYSA-N	309.285	1.813	50	20	DDGD	
Cn1nnc2c1CC[C@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)C2	848311928	KOQUDGGCZDWBMG-RPHSKFLZSA-N	323.356	1.101	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccnn1CC(C)C	843845825	KKJRFQKWSDSDSH-UHFFFAOYSA-N	315.468	1.011	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)Nc1nnn(C)c1C	841792053	OAHZKOSGIWSOSH-UHFFFAOYSA-N	305.298	1.489	50	20	DDGD	
COc1ccc([C@@H](C)CC(=O)NNC(=O)c2c[nH]nc2C)cc1	749984591	ZNYJAGPLFSDGCM-JTQLQIEISA-N	316.361	1.682	50	20	DDGD	
O=C(O)CCCCCNC(=O)NNc1ncc(F)cc1F	840992233	RQCAYTARWKHJNK-UHFFFAOYSA-N	302.281	1.631	50	20	DDGD	
CC(C)C[C@@H](CN)NC(=O)NNC(=O)CCc1ccccc1	841953781	LNNNODPAIVLOLF-AWEZNQCLSA-N	306.410	1.323	50	20	DDGD	
O=C(O)c1cccc(CNS(=O)(=O)CCCCCl)c1	841779783	YSURJHLMNMRHMR-UHFFFAOYSA-N	305.783	1.823	50	20	DDGD	
C=CC(=O)N(CC)CC(=O)NNc1cc(Cl)nc(Cl)c1	911314190	AQPWPQPDWVATPR-UHFFFAOYSA-N	317.176	1.866	50	20	DDGD	
CCN(CC(=O)NNC(=O)C(C)(C)C)c1ccccc1OC	744391706	GOSOCCNOWGPBQE-UHFFFAOYSA-N	307.394	1.715	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=C1CCC[C@H](C2CC2)C1	743445795	HXNZXPDHXRQOPL-JTQLQIEISA-N	304.350	1.503	50	20	DDGD	
C[C@@]1(C(=O)Nc2nn3cnnc3s2)C[C@@H]1Br	913490072	HHUXLNSTXBEPAC-RNHFCUEFSA-N	302.157	1.298	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=S)NC2(C)CCC2)cc1	840704925	WEPSZXUCNKTFGO-UHFFFAOYSA-N	323.418	1.512	50	20	DDGD	
O=C(NC[C@@H]1CCCO1)NNc1cc(C(F)(F)F)ccn1	840941324	XBKUHRCFBUTRAN-VIFPVBQESA-N	304.272	1.906	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cc1ccncc1)c1ccccc1	747673536	XLTOLILVRXDCCD-LBPRGKRZSA-N	314.414	1.881	50	20	DDGD	
Cc1csc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1C#N	847185950	PUEXVTIPFAGADH-RKDXNWHRSA-N	308.363	1.506	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)n1ccnc1	917371443	QBPDXUWXAAMEMA-JTQLQIEISA-N	317.305	1.204	50	20	DDGD	
NNC(=O)C(=O)Nc1ccc(N2CCCCCCC2)c(F)c1	841199643	KWRNCGSNTQNBMG-UHFFFAOYSA-N	308.357	1.525	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)[C@@H]1CCc2ncncc2C1	843904388	WXFQUYVRNLWDHN-MRVPVSSYSA-N	305.288	1.398	50	20	DDGD	
NC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccc(Cl)cc1	841953687	RLBHRBSMSOZUII-WCQYABFASA-N	324.812	1.802	50	20	DDGD	
N[C@@H]1CCC[C@H](NC(=O)NNc2cc(F)c(F)cc2F)C1	841980866	ITRNBDKZMVLQIS-SFYZADRCSA-N	302.300	2.000	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)c1ccccc1F)c1ccco1	746770180	KKVOQVCYUODVEG-GFCCVEGCSA-N	321.308	1.750	50	20	DDGD	
Cc1cc(C(N)=O)ccc1NC(=O)NNc1ccc(Cl)nn1	916633772	NIGMHFZZIBDEAW-UHFFFAOYSA-N	320.740	1.686	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)N[C@H]1CCCNC1	841943736	ULXZCOSLASSKMN-ZZTKBFGJSA-N	320.437	1.285	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1ccc(F)cc1F	843659675	IOPHSOJZSOIOCQ-CABZTGNLSA-N	312.316	1.470	50	20	DDGD	
C[C@H](N)CNC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	841988208	ZTGHCCRMRDICCL-HXTFMFRQSA-N	308.426	1.271	50	20	DDGD	
O=C(NNC(=O)N1CCC2(CCCCC2)C1)c1ncccn1	841592685	VOLRTKNKQOKZDL-UHFFFAOYSA-N	303.366	1.487	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cccc2c1OCCCO2	844328332	JSMZZRWBZOOINN-UHFFFAOYSA-N	304.346	1.799	50	20	DDGD	
C=CCOc1ccc(C=NNC(=O)N2CCOCC2)cc1OC	745590794	FQOCOZRDXPEWIE-UHFFFAOYSA-N	319.361	1.636	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C(C)(C)c1cccc(F)c1	843650637	FSBFUQGNGCNUSE-GWCFXTLKSA-N	308.353	1.676	50	20	DDGD	
O=C(NNc1cccnc1Cl)[C@@H]1CCc2ncncc2C1	843905827	CMTNAKDWSCVTOW-SECBINFHSA-N	303.753	1.773	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1(c2cccnc2)CCCC1	843657752	RSGGDKKUVPZSFA-TZMCWYRMSA-N	317.389	1.466	50	20	DDGD	
Cn1c(NNC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)nc2ccccc21	848380409	FIPHURUJABNMRS-GHMZBOCLSA-N	315.377	1.308	50	20	DDGD	
CO[C@@H](C=NNC(=O)COc1ccccc1F)[C@@H]1CCOC1	841606545	IGANNHDEEHXTHZ-RISCZKNCSA-N	310.325	1.358	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)COCc1ccccc1)n1ccnc1	844397646	HWNSJMMUHXDLMP-ZDUSSCGKSA-N	316.361	1.198	50	20	DDGD	
Cc1ccc(C)c(OCCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	843641879	UVJAUXKNZQOITN-UONOGXRCSA-N	320.389	1.645	50	20	DDGD	
CSSCCNC(=O)N1CCC2(CC1)C[C@H](O)CCO2	922389600	LUOBIYMYTFXXMA-LLVKDONJSA-N	320.480	1.713	50	20	DDGD	
CC(C)(C)n1cc(C#N)cc1NC(=O)NNC(=O)c1cc[nH]n1	853821881	HPOBYMNTTVAUDZ-UHFFFAOYSA-N	315.337	1.304	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCOc1cc(C)cc(C)c1C	854923618	BUVMDFQYFZAFDP-UHFFFAOYSA-N	309.435	1.848	50	20	DDGD	
COC(=O)c1ccccc1CCC(=O)NNC(=O)C(C)(C)C	758438487	AXUHEHWCRICNPT-UHFFFAOYSA-N	306.362	1.599	50	20	DDGD	
CCC(=O)c1cc(C(=O)NNC(=O)c2cccn2C)ccc1F	756873725	UJEFAZYJKSIYPG-UHFFFAOYSA-N	317.320	1.832	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cc(F)cc(N2CCOCC2)c1	854666925	BYZIFOCPCAXLMY-UHFFFAOYSA-N	321.352	1.223	50	20	DDGD	
CCOc1nc(C(=O)NC[C@]2(C)C[C@H]2Br)co1	857396076	XZPJWQCHHKDGJE-KCJUWKMLSA-N	303.156	1.977	50	20	DDGD	
CN(CC(=O)OC[C@H](CBr)C1CC1)C(=O)C1CC1	859555681	QPHRFILZZKQOBX-NSHDSACASA-N	318.211	1.819	50	20	DDGD	
Cc1nn(-c2ccccc2)c(C)c1CC(=O)NNc1ccncn1	857520482	YUKLUXGXAWISLV-UHFFFAOYSA-N	322.372	1.965	50	20	DDGD	
O=C(NNc1nc2ccc(Cl)cc2s1)[C@]1(O)CCOC1	856236608	MEMVRZUCBRYIIS-LBPRGKRZSA-N	313.766	1.544	50	20	DDGD	
O=C(NNC(=S)NC[C@@H]1CCCCO1)c1ccccc1F	758171846	JSUFEKADHGKTIQ-JTQLQIEISA-N	311.382	1.504	50	20	DDGD	
COc1cccc([C@@H](OC)C(=O)NNC(=O)CC(F)(F)F)c1	854997954	VERVQENNNGLKRQ-LLVKDONJSA-N	320.267	1.483	50	20	DDGD	
CCn1ncc(Cl)c1C(=O)NNC(=S)NCCSC	857715672	MKGBERVJRWBPCM-UHFFFAOYSA-N	321.859	1.028	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N(C)CC1=CCSC1	851917714	LUKIPOUNGSJTMD-UHFFFAOYSA-N	305.403	1.954	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)ccc1N	850815527	XGFWFXMDTUGDMF-UHFFFAOYSA-N	306.366	1.099	50	20	DDGD	
CSCC1(CCNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CC1	852394103	MJPIQVYYBPRLLV-MNOVXSKESA-N	315.439	1.275	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1c[nH]cc1-c1ccccc1	755281629	KTXDYMKKWIRYFH-UHFFFAOYSA-N	309.329	1.409	50	20	DDGD	
CC(CN1Cc2ccccc2C1=O)=NNC(=O)NCC1CC1	754942270	NQOIRYHXDPGOKV-UHFFFAOYSA-N	300.362	1.728	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cc(Br)cnc1F	858284171	CEYYXZGESRGBJZ-UHFFFAOYSA-N	318.146	1.790	50	20	DDGD	
CC(C)c1ccc(C(=O)NNc2ccc(C(N)=O)nn2)c(O)c1	757402982	RWVABVQVAHMLPG-UHFFFAOYSA-N	315.333	1.161	50	20	DDGD	
CCc1nc(-c2ccc(C(=O)NN(C)C(=S)NC)cc2)n[nH]1	854923304	QRDQJHFRBAHZNY-UHFFFAOYSA-N	318.406	1.115	50	20	DDGD	
C[C@@](O)(CC(=O)NNC(=S)NCC1CCC1)c1ccccc1	855089213	HPXJBFMRXAMPEG-MRXNPFEDSA-N	321.446	1.580	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)CCC2(C)CC2)nc1C	935269430	WODGWCQEZDQAKZ-UHFFFAOYSA-N	306.366	1.985	50	20	DDGD	
COCCCOc1cccc(C(=O)NN=c2cc[nH]cc2)c1C	935291874	AMROCGIIKLVBLK-UHFFFAOYSA-N	315.373	1.984	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	766640510	QMNTYUNCKFXMHC-SFYZADRCSA-N	301.268	1.558	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)C1(O)CCSCC1	765178600	YOYVMNNXPGJMDL-UHFFFAOYSA-N	310.404	1.393	50	20	DDGD	
CC(C)[C@H](NC1CCOCC1)C(=O)NN[C@@H](C)C(F)(F)F	863921166	WMMBBVRGYYPFEJ-ONGXEEELSA-N	311.348	1.351	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@@H]1CCN(C(=O)OC(C)(C)C)C1	864349954	ZTEOLKSOQALOFV-UCQJPZFISA-N	309.366	1.556	50	20	DDGD	
COCCOCC(=O)NNC(=O)C[C@H](C)c1ccccc1F	869909391	ULEWRYXKYIGDDM-NSHDSACASA-N	312.341	1.130	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C=NNC(=O)[C@@H]2CCO[C@@H]2C)c1C	863122328	DFNNZAHNYDTPCL-VXGBXAGGSA-N	321.377	1.683	50	20	DDGD	
CC(=O)NC1CCN(S(=O)(=O)CC(C)(C)CCl)CC1	866677535	MACFSYZVOZSNCB-UHFFFAOYSA-N	310.847	1.182	50	20	DDGD	
COCCOCC(=O)NNC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21	869905759	PCPXBSMFGMONBQ-HZSPNIEDSA-N	312.410	1.403	50	20	DDGD	
COCCOCC(=O)NNC(=O)CC/C=C\c1ccccc1	869910549	UUGJEBWUVVPNFJ-UITAMQMPSA-N	306.362	1.290	50	20	DDGD	
COC1(C=NNC(=O)c2cccc(N(C)C)c2)CCOCC1	761748488	FUJGQRZPVLYTEQ-UHFFFAOYSA-N	305.378	1.664	50	20	DDGD	
CC(C)n1nnc(NC(=O)NC[C@@]2(C)C[C@@H]2Br)n1	933456718	QOLVIAQMUVXEEP-OIBJUYFYSA-N	317.191	1.549	50	20	DDGD	
CC(C)(C)OC(=O)C(=O)NNc1ccnc(Br)c1	769954296	BONQHQPTDBQBID-UHFFFAOYSA-N	316.155	1.629	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccn([C@H](C)COC)n1	930991695	GRSFDGZNMAXKAZ-LLVKDONJSA-N	307.354	1.047	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CC(F)(F)F)cnn1CC(C)C	767147492	DLCVRMHMMRSWFT-UHFFFAOYSA-N	306.288	1.561	50	20	DDGD	
CCC(CC)[C@H](C)C(=O)NNC(=O)COc1ccccc1O	761685980	ZBBXJPHRQYCPNJ-NSHDSACASA-N	308.378	1.991	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1ccc(OC)c(Cl)c1	767217574	VUAXTQXLLFEOKK-UHFFFAOYSA-N	315.757	1.216	50	20	DDGD	
CN(CC(=O)NNC(=O)c1c[nH]c2ccccc12)C1CCC1	863853631	AQYDZCROVTZMMG-UHFFFAOYSA-N	300.362	1.413	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccc[nH]1)c1cccc([N+](=O)[O-])c1	761418941	JEPQYSDGWZAABU-SECBINFHSA-N	302.290	1.488	50	20	DDGD	
Cc1sc(NC(=O)C(=O)NNc2ncccn2)nc1C(C)C	1118486748	KKLAHTLRPGNSMY-UHFFFAOYSA-N	320.378	1.447	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2c(F)cccc2Cl)CC1	773674049	RMVNQWJBFSLYKM-UHFFFAOYSA-N	314.748	1.081	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NN=c2sc3ccccc3n2C)CCO1	776284730	CJDQMFQUPJQTQP-WDEREUQCSA-N	305.403	1.987	50	20	DDGD	
CC(=O)N1CCc2cc(C(=O)NCCCSC#N)ccc21	773585081	LFZNVRVSPUMVNO-UHFFFAOYSA-N	303.387	1.930	50	20	DDGD	
C[C@@H](NCC(=O)NNC(=O)C(C)(C)C)c1cccc(C#N)c1	775338298	ORZFFRDHSBFAQQ-LLVKDONJSA-N	302.378	1.402	50	20	DDGD	
C[C@@H](C(=O)NNc1ccnc(Br)c1)n1cncn1	771532839	OMMWIZMOMZMJPR-ZETCQYMHSA-N	311.143	1.140	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@](C)(O)C2CC2)c1	873757345	WRUAAPOTTNSZNZ-OAHLLOKOSA-N	307.419	1.782	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NNc2ccc(F)cn2)C1	874646969	KARQFXAFNQGRGY-HOMQSWHASA-N	324.356	1.967	50	20	DDGD	
O=C(NNc1ncc(Cl)cc1Cl)c1ccc(O)nn1	775264897	VCRBAOAFPWRXLT-UHFFFAOYSA-N	300.105	1.641	50	20	DDGD	
CCC[C@H](C(=O)OCC)S(=O)(=O)N1CC=C(C#N)CC1	882050741	GWZYHWHCCZOJDH-GFCCVEGCSA-N	300.380	1.204	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNC(=O)c1ccccc1OC	776208417	DCYLZWAVCQWBIV-UHFFFAOYSA-N	322.361	1.436	50	20	DDGD	
COC(=O)[C@@H](C)n1cccc1C=NNC(=O)NC1CCCC1	774585409	CBYFTVFFUIZVOD-LLVKDONJSA-N	306.366	1.798	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)C1CCOCC1)c1ccccc1	883099841	HNCCYJUZONZRHH-CQSZACIVSA-N	321.377	1.131	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C(C)(C)CO)cc1	776318178	QBSPIZRJYWRFMZ-NSHDSACASA-N	324.377	1.019	50	20	DDGD	
CC(C)c1nnc2n1CCN(S(=O)(=O)CCCCl)[C@H]2C	882110826	UBVYFSHLCIZFQE-JTQLQIEISA-N	320.846	1.737	50	20	DDGD	
O=C1COc2cccc(OS(=O)(=O)CCCCl)c2N1	882043444	CQYUAXSIJRISHX-UHFFFAOYSA-N	305.739	1.355	50	20	DDGD	
COc1cccc(NNC(=O)Nc2c3c(nn2C)CCCC3)n1	880620415	YRMDIFVNKLCHCB-UHFFFAOYSA-N	316.365	1.851	50	20	DDGD	
CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)NNc1ccc(C#N)cn1	888355041	JDNRJABEPXJFGU-UHTWSYAYSA-N	301.350	1.393	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccccc2O)c(O)c1	787993222	OWSCMZOVLIPECM-UHFFFAOYSA-N	300.314	1.735	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(NC(C)=O)c(Cl)c1	887154201	BSHMNLSUYXRWGO-UHFFFAOYSA-N	321.764	1.863	50	20	DDGD	
COC1CCC(C(=O)NNC(=O)CNc2ccc(C)cc2)CC1	781899142	OJOGJVQSSRXCPY-UHFFFAOYSA-N	319.405	1.760	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCC(c3cncn3C)CC2)cn1	1124126061	BYIJXZGICCVCRP-CHHVJCJISA-N	324.388	1.467	50	20	DDGD	
CCc1cnccc1[C@H](C)NS(=O)(=O)CBr	782476715	FDLHTYYDFFXSAB-QMMMGPOBSA-N	307.213	1.977	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2cc(F)cc(Cl)c2)C(=O)O1	896371694	LVXFDLNHKRYQOQ-QUBYGPBYSA-N	301.705	1.809	50	20	DDGD	
COC(=O)c1ccc(CC(=O)NNC(=S)NC(C)(C)C)cc1	899997411	RZYWQRYJSTZXBT-UHFFFAOYSA-N	323.418	1.310	50	20	DDGD	
CC[C@H](C)NC(=O)CCNC(=O)NNc1ncncc1Cl	780973076	BMWRJCMHASEUEH-QMMMGPOBSA-N	314.777	1.061	50	20	DDGD	
Cc1cccc([N+](=O)[O-])c1C(=O)NNC(=S)NC(C)(C)C	899996311	ROCNWRXBBBZHPB-UHFFFAOYSA-N	310.379	1.811	50	20	DDGD	
CSSCCNC(=O)NC[C@H](C(C)C)N1CCOCC1	790667380	LFQJLYYPSAZIBJ-GFCCVEGCSA-N	321.512	1.654	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NN=c2cc[nH]cc2)cc1OC	797672375	JDIAIIQFLWOXSY-UHFFFAOYSA-N	316.317	1.447	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCSc2ccccn2)n1	794079821	FJXDDINNOYTERZ-UHFFFAOYSA-N	316.386	1.728	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)C(=O)c1ccccc1	792124077	YFJPWAULMCVQDN-UHFFFAOYSA-N	309.285	1.458	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCC[C@@H](c3ccnn3C)C2)CC1	790298054	HEXKPABLVIJHHQ-CYBMUJFWSA-N	318.425	1.391	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2ncccc2C)[C@@]12CCCO2	791038606	MOTJGMPUWLPPPM-ZENOOKHLSA-N	320.393	1.743	50	20	DDGD	
CC(=NNC(=O)c1c(C)nc2ccccn12)c1ccc(O)nn1	790143651	QYBWGZQITIUZDD-UHFFFAOYSA-N	310.317	1.292	50	20	DDGD	
Cc1cc(C)n([C@H](C)CC(=O)NNc2nc3ccccn3n2)n1	791243816	WTJGYUBRRPVJKH-GFCCVEGCSA-N	313.365	1.637	50	20	DDGD	
O=S(=O)(CBr)N1CCC[C@@H](OC2CCC2)C1	691830877	OBYOEADRPPLQIY-SNVBAGLBSA-N	312.229	1.702	50	20	DDGD	
COCCNc1ccc(S(C)(=O)=O)cc1NC(=O)CCl	1319681324	GHHKYYOUKNSETF-UHFFFAOYSA-N	320.798	1.326	50	20	DDGD	
CN1C(=O)C[C@@H](C(=O)NNC(=O)C(C)(C)C)c2ccccc21	1317927782	XLLKLKUFTXKGLF-LLVKDONJSA-N	303.362	1.330	50	20	DDGD	
CCCCCNC(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1328615720	QVJZLHDDOKPEAZ-SKDRFNHKSA-N	305.216	1.583	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H](C)c2nnc(C)s2)n1	1322418407	VIBLRQYFRWFUIS-QMMMGPOBSA-N	320.378	1.255	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=S)NC(C)C)c1ccccc1F	1321929852	LMAWEPZXWHQQSW-AWEZNQCLSA-N	313.398	1.591	50	20	DDGD	
COc1ccc2cc(C(=O)NNC(=S)NC(C)C)[nH]c2c1	1321558145	AKAXZLVNUCTVCF-UHFFFAOYSA-N	306.391	1.694	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cn1ccc2ccccc21)n1ccnc1	1326708935	ASYXCMLGOBPESM-LBPRGKRZSA-N	311.345	1.246	50	20	DDGD	
CCc1c(C(=O)NNc2cncc(Br)c2)cnn1C	1323068480	YWHNDAUYNKIZTH-UHFFFAOYSA-N	324.182	1.897	50	20	DDGD	
Cc1c(C(=O)NNc2ccccn2)cnn1C1CCOCC1	1324979637	RQGCBUFFBSSOSE-UHFFFAOYSA-N	301.350	1.695	50	20	DDGD	
O=C(NC[C@@H]1CNCCC1(F)F)NNc1ccc(Cl)nc1	1338029858	BVSZJGIPKRTFPI-QMMMGPOBSA-N	319.743	1.606	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@]1(C)CCOc2ccccc21	1333770854	PDGIQZGSFVRFRZ-HNNXBMFYSA-N	307.419	1.631	50	20	DDGD	
CC(C)[C@H](F)C(=O)NNC(=O)c1cncn1-c1ccccc1	1338680325	SKLLPQAHQDXQNS-ZDUSSCGKSA-N	304.325	1.627	50	20	DDGD	
CCCN(CCC)C(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1331374640	MHAGSCXPYIEGOL-MFKMUULPSA-N	319.243	1.925	50	20	DDGD	
CCOc1ccc2c(c1)C(=NNC(=O)c1cccnn1)CCO2	1262037204	OMBHKWXBGTZFGP-UHFFFAOYSA-N	312.329	1.792	50	20	DDGD	
Cn1nc(C2CC2)cc1CNC(=O)NNc1ccc(F)cn1	1340868081	NVDOQYVWMCEIEN-UHFFFAOYSA-N	304.329	1.658	50	20	DDGD	
N#C[C@H]1CC[C@@H](NC(=O)NNC(=O)c2ccccc2Cl)C1	1345683126	JAODOZWSTSNVFF-VHSXEESVSA-N	306.753	1.976	50	20	DDGD	
Cc1c([C@@H](C)NC(=O)NNc2ncc(Cl)cn2)cnn1C	1351154969	YFCNWYUGBLOUHA-SSDOTTSWSA-N	309.761	1.559	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2ccc3c(c2)OCO3)c1	1608936290	KPZGQMXUVRSSFW-UHFFFAOYSA-N	300.270	1.870	50	20	DDGD	
C[C@H](CC(=O)O)NC(=O)NNC(=O)CCCc1cccs1	1609885649	PFSVTOPWRVGTRI-SECBINFHSA-N	313.379	1.264	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2cnn(CC3CC3)c2)cc1	1602128575	ORNGKBAPGSNFFK-UHFFFAOYSA-N	314.345	1.677	50	20	DDGD	
O=C(NNc1cccc(F)c1C(=O)O)c1ccc2nn[nH]c2c1	1601560331	ATLMMNFIFZTCOV-UHFFFAOYSA-N	315.264	1.552	50	20	DDGD	
O=C(NCCc1cscn1)NNc1cccc(C(=O)O)c1F	1601515014	WJAUIQVNOUPVQW-UHFFFAOYSA-N	324.337	1.849	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(C(=O)O)cn2)c(C)c1	1607206437	VVUFEWZIMLGJBA-UHFFFAOYSA-N	301.302	1.854	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cccc3c2OCCO3)c1	1602450272	RFARICCIVABYMW-UHFFFAOYSA-N	314.297	1.913	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)nc1	1601108768	RVDOMDCUJHQVRZ-VTPLQMEGSA-N	312.329	1.309	50	20	DDGD	
O=C(O)Cc1cccc(C(=O)N2C[C@H]3[C@H](Br)[C@H]3C2)c1	1608784080	NLQFEQQUGOSTKC-PJXYFTJBSA-N	324.174	1.779	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccnn1C)[C@H]1CCCO1	1549319185	IUOSKNNXCXJVRD-YUELXQCFSA-N	320.393	1.559	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)s1	1549317122	JRYAEQKEFLFOKW-ZYHUDNBSSA-N	309.391	1.070	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1cnn(C(C)C)c1	1549319617	WGBJCXALSDSBOH-HUUCEWRRSA-N	319.409	1.167	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@@H]1C(=O)NN=C1CCCOCC1	1549320644	OYJUOTRQMVYGAN-ZFWWWQNUSA-N	320.393	1.561	50	20	DDGD	
C[C@@H](NC(=O)C1CCC(Cl)CC1)C(=O)N1CCOCC1	1548634638	NSJRDSUTCDOTJI-VOMCLLRMSA-N	302.802	1.148	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@@H]1CN1CCC([C@H]2OCC[C@H]2C(N)=O)CC1	1550631937	KMMZZHSDSKDYAW-QIWZIZFYSA-N	300.830	1.462	50	20	DDGD	
O=C(NNc1cc(Br)ccc1F)[C@H]1CCNC1	1574333639	FZGYXFRGGDNURD-ZETCQYMHSA-N	302.147	1.641	50	20	DDGD	
COC[C@@]1(C(=O)NNc2cc(Cl)nc(C)n2)CCCCN1	1578977102	RZPNAFFREFAZJB-CYBMUJFWSA-N	313.789	1.040	50	20	DDGD	
C[C@@]1(CNCC2(O)CCC(C(=O)O)CC2)C[C@@H]1Br	1589246979	OASWJOKZGKDEMO-QCNJJUDDSA-N	320.227	1.755	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NNc1ccc(C(=O)O)c(F)c1	1589813760	BEGNTAOMNLMYFK-LBPRGKRZSA-N	309.341	1.840	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1F)c1ccc2c(n1)CNCC2	1580737823	YYLAHENFOGOHNZ-UHFFFAOYSA-N	322.290	1.902	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCC12CCNCC2)c1ccc[nH]1	1580733234	QCLNMWRXEKQVPX-LBPRGKRZSA-N	304.394	1.336	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)c2cncs2)C1	1842533265	UALVDLLGTSTDSB-SECBINFHSA-N	317.773	1.495	50	20	DDGD	
CC(C)(NS(=O)(=O)CCCCl)c1cc(C(=O)O)on1	1590875073	RAYXXLACQSBFFO-UHFFFAOYSA-N	310.759	1.156	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NNc1cccc(C(=O)O)c1	1594448317	QZXISSHJUFDQQY-OTYXRUKQSA-N	314.345	1.917	50	20	DDGD	
C[C@H](Oc1cccc(C=NNC(=O)c2cnsn2)c1)C(=O)O	1776105135	PJMIPFAMNOQLLN-QMMMGPOBSA-N	320.330	1.154	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1csc(C(=O)O)c1	1776120875	YBFVLMFZFQOUQB-WDZFZDKYSA-N	308.359	1.896	50	20	DDGD	
CC(=NNC(=O)c1ccc(CO)o1)c1cncc(C(=O)O)c1	1776097142	NEZJUKDSBZOANZ-UHFFFAOYSA-N	303.274	1.019	50	20	DDGD	
CC(C)n1cnc(C=NNC(=O)c2cccc(C(=O)O)c2)c1	1776096555	HBNNVLJIRWHNDX-UHFFFAOYSA-N	300.318	1.926	50	20	DDGD	
CC(=NNC(=O)Cn1nc(C)cc1C)c1cncc(C(=O)O)c1	1776026162	AWDPHOCFBLLIJQ-UHFFFAOYSA-N	315.333	1.134	50	20	DDGD	
COc1cc(C(=O)O)ccc1C=NNC(=O)c1cccc(C)n1	1776057936	RGTBSUROPYMLLH-UHFFFAOYSA-N	313.313	1.861	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccccc1O	5392470	ZIDAIGNCKTUQDA-UHFFFAOYSA-N	309.325	1.877	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)CCc2ccccc2O)co1	163270659	OJTMHIUGNYLIFD-UHFFFAOYSA-N	303.318	1.336	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](C)c1cccc(F)c1F	165838862	UAIPPSDRTDDMHF-QMMMGPOBSA-N	301.293	1.393	50	20	DDGD	
O=C(NNC(=S)NCc1ccc(F)cc1)[C@@H]1CCCCO1	153074422	ZUYHDLXRUBGAQT-LBPRGKRZSA-N	311.382	1.390	50	20	DDGD	
N#CC(C#N)=CNNC(=O)COc1ccc(Br)cc1	153330066	NYZUDVUXZJILQB-UHFFFAOYSA-N	321.134	1.380	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@]2(CCOC2)C1	155052639	JTMSYUNUQHNGRR-HNNXBMFYSA-N	311.813	1.991	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCCCn1cccn1	155676536	PILKZBWMGPRKMQ-UHFFFAOYSA-N	315.377	1.236	50	20	DDGD	
O=C1COc2ccc(C(=O)NNc3cccc(F)c3)cc2N1	154777575	ODWZXLZSRJCZPL-UHFFFAOYSA-N	301.277	1.914	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(F)cc3nccnc23)nc1	159104556	IHSPSOBTQXQJQU-UHFFFAOYSA-N	313.292	1.929	50	20	DDGD	
CNC(=O)[C@]1(C)CCN(C[C@@H](CBr)C2CC2)C1	859289825	HCZKHWMWEUMDMH-DGCLKSJQSA-N	303.244	1.866	50	20	DDGD	
CCCCNC(=O)C1CCN(S(=O)(=O)CCCCl)CC1	37842790	NLPIRXZFRCEUTP-UHFFFAOYSA-N	324.874	1.573	50	20	DDGD	
CC[C@H](CNS(=O)(=O)CCl)NC(=O)OC(C)(C)C	831959145	GNGRIGZUCMPJKR-MRVPVSSYSA-N	300.808	1.405	50	20	DDGD	
Cc1ccc(C)c(CC(=O)NNC(=O)NCC(F)(F)F)c1	102793419	DLHYVRNEYLPDBP-UHFFFAOYSA-N	303.284	1.739	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1cccc2c1OCCO2	54801915	QFZPHBCOAZXHHU-SDNWHVSQSA-N	316.357	1.908	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc(C#N)c2)c(O)c1C	103525094	RWYHERCMNNXTLG-UHFFFAOYSA-N	309.325	1.956	50	20	DDGD	
CC(C)N1CCC[C@@H](CNC(=O)NNC(=O)CC(C)(C)C)C1	105276501	UQVPQRRFJBAGLU-ZDUSSCGKSA-N	312.458	1.873	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cnsn2)c(C)c1	102891250	WRLGUKSFYYWJHC-UHFFFAOYSA-N	305.363	1.028	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)Cc3ccn[nH]3)cc2C1	106417257	MCFNCPZZCWVBFR-VIFPVBQESA-N	318.402	1.600	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)Nc1ccncc1	54450478	MXHJBXSJYGLVRO-UHFFFAOYSA-N	322.328	1.938	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cn1ccc2ccccc21)C1CC1	105361991	IPZZTIOYFSKCIW-LLVKDONJSA-N	316.430	1.935	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)COc1cccc(C(C)C)c1	109860006	NHABJNYPGOUBIM-UHFFFAOYSA-N	316.361	1.682	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNC(=O)c1ccc(CC)cc1	104824080	DPWPXLCCCACDEC-UHFFFAOYSA-N	319.405	1.707	50	20	DDGD	
C[C@@H](C(=O)NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1)C1CC1	175327232	UBCCFRSJDVSJSU-MRVPVSSYSA-N	318.381	1.364	50	20	DDGD	
CSC[C@H](C)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	66817207	LGBSNXNLGFINIH-UWVGGRQHSA-N	314.382	1.740	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNC(=O)NCC2CC2)ccc1F	65191603	HIEHNIGNASLKBO-UHFFFAOYSA-N	308.313	1.138	50	20	DDGD	
CCOCCC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	112824349	DFBRDNBREXGCBB-UHFFFAOYSA-N	302.334	1.060	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC(C)(C)Cc1ccccc1	117505704	KQKILBMUSLQINM-UHFFFAOYSA-N	307.394	1.622	50	20	DDGD	
CN(C)C(=O)CCCNC(=O)NNc1ccc(Cl)c(F)c1	175378975	KHFHJIIDDRQQJW-UHFFFAOYSA-N	316.764	1.974	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc(C#N)c[nH]1	175144139	DKCLWPJCAMPHTC-SECBINFHSA-N	316.292	1.254	50	20	DDGD	
CO[C@@]1(C)C[C@H](NC(=O)NNc2ccc(Cl)nn2)C1(C)C	173723694	RFUSYHKOHHSINZ-SDBXPKJASA-N	313.789	1.960	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)CN(C)C(C)C	67571458	MOXCMDNRFKGLFX-UHFFFAOYSA-N	313.785	1.450	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCn2cccn2)cc(C#N)n1C	172134425	ZQAXWQJUSXGTDW-RIYZIHGNSA-N	308.345	1.125	50	20	DDGD	
CCCN(CCC)C(=O)CCC(=O)NNc1nc(C)cc(C)n1	170900568	PTLJRQFZCQFXIW-UHFFFAOYSA-N	321.425	1.965	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC2CCCC2)c(OC)c1	65920893	ARICKRPUQHQOCZ-UHFFFAOYSA-N	307.350	1.590	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cc2cccc(F)c2)nc1	179799627	UPZCNBNBBPOTNS-UHFFFAOYSA-N	303.293	1.693	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1	30034195	RDTHJPBSUBDPMU-GHMZBOCLSA-N	322.365	1.086	50	20	DDGD	
CSCc1ccc(NC(=O)NNC(=O)Cc2cc[nH]n2)cc1	184811095	KDFXBNQKHPYLFK-UHFFFAOYSA-N	319.390	1.668	50	20	DDGD	
CS[C@H](C)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	33224966	YUNPDSDKYFSLHI-DTWKUNHWSA-N	300.355	1.492	50	20	DDGD	
C[C@@]1(C(=O)NNc2ncc(F)cn2)Cc2ccccc2C(=O)O1	122533051	FGCKLFJGLWYPSW-HNNXBMFYSA-N	316.292	1.231	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ccc(OC(F)F)cc1	123151222	IQRHFIWGLLNYRU-VHSXEESVSA-N	300.261	1.540	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(CC(=O)N(C)C)cc1	184068542	KLUUYSLAOXRACJ-LLVKDONJSA-N	320.393	1.516	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Nc1ccc(F)cn1	123463544	JGNLELXMNGGTSQ-UHFFFAOYSA-N	318.308	1.625	50	20	DDGD	
C[C@@](O)(CNS(=O)(=O)CBr)c1ccccc1	70961135	NYSLQPHYXZMZJG-SNVBAGLBSA-N	308.197	1.166	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccncc1F	78061963	SQDXDFOWRDVHFK-SECBINFHSA-N	321.283	1.588	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1ccccc1O)c1nccs1	187041694	ODKKGORWMMEROD-VIFPVBQESA-N	320.374	1.596	50	20	DDGD	
O=C(NNC(=O)c1cccc(-n2cccn2)n1)c1ccccc1	78168248	FSZPYQIDYGFRQJ-UHFFFAOYSA-N	307.313	1.342	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@H](N(C)C)C1	74252899	WMDVPFSPLVOQNF-ZDUSSCGKSA-N	312.845	1.905	50	20	DDGD	
Cc1ccc(F)c(S(=O)(=O)NNC(=O)c2ccc(C)o2)c1	84461409	NQAIZZQJJFVQRJ-UHFFFAOYSA-N	312.322	1.659	50	20	DDGD	
CN(C)C1(CNC(=O)NNC(=O)c2ccccc2)CCCC1	43147104	OXRAMVOSKBADTA-UHFFFAOYSA-N	304.394	1.505	50	20	DDGD	
CO[C@@]1(C)C[C@@H](NC(=O)NNC(=O)c2ccc(C)o2)C1(C)C	84162742	RVLKJSWMKDWNGR-ABAIWWIYSA-N	309.366	1.736	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H](NC(=O)c1cccs1)C(C)C	45574463	NQDGKUXFIDPIML-SNVBAGLBSA-N	313.379	1.280	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(Br)c2)no1	80965744	DZFCHVUHBFOZEX-UHFFFAOYSA-N	324.134	1.820	50	20	DDGD	
COC(=O)[C@@]1(C)CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C1	194748764	LZCVCCGNQBOFDD-GQPJMJRUSA-N	314.341	1.711	50	20	DDGD	
CN(C)C(=O)c1cccc(NC(=O)NNC(=O)OC(C)(C)C)c1	145899927	VQADDOZGMAXALJ-UHFFFAOYSA-N	322.365	1.950	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNC(=O)[C@@H](CC)c1ccccc1	92444070	LFZFBDNRDAKGNI-ZDUSSCGKSA-N	314.389	1.937	50	20	DDGD	
CSCCNC(=S)NNC(=O)C=C1CCC(C)CC1	91822216	NCMIMUZQYUSDNK-UHFFFAOYSA-N	301.481	1.981	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccncc1Cl	94120927	XYXUSHULGURRGJ-UHFFFAOYSA-N	304.828	1.207	50	20	DDGD	
Cc1cc(NNC(=O)c2cn(C)nc2C(C)(C)C)nc(C)n1	92245104	PAYNCFFJYOZEIQ-UHFFFAOYSA-N	302.382	1.881	50	20	DDGD	
COc1ccc(C=NNC(=O)Cn2nc(C)cc2C)cc1OC	254394665	JCJKYQZNEBUONU-UHFFFAOYSA-N	316.361	1.667	50	20	DDGD	
COCCOC[C@@H]1CCN(C(=O)NNC(=O)c2ccccc2)C1	266506527	MBZWSLFQIPZIBP-CYBMUJFWSA-N	321.377	1.026	50	20	DDGD	
CN(C)[C@H]1CCC[C@H](NC(=O)NNC(=O)c2ccccc2F)C1	267374719	KPRUGPGDFSURSF-RYUDHWBXSA-N	322.384	1.643	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cccn2C)cc(OC)c1C	263846979	UINAADNVJCURDR-UHFFFAOYSA-N	317.345	1.426	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NNC(=O)C(C)(C)c1ccccc1	264678626	XQSBQJPUJORVQB-UHFFFAOYSA-N	320.393	1.372	50	20	DDGD	
CC[C@H](COC)NC(=O)NNC(=O)COc1ccc(C)cc1	265822449	QTFKBLPBAFXHPB-GFCCVEGCSA-N	309.366	1.129	50	20	DDGD	
C[C@@H](NC(=O)C1CCCC1)C(=O)NNc1ccc(C#N)cc1	269577949	HCQBKFLXYXHMFZ-LLVKDONJSA-N	300.362	1.696	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1nc(-c2ccncc2)no1	263928416	BRDLDQOZMGTJTR-SNVBAGLBSA-N	321.337	1.016	50	20	DDGD	
Cn1nc([C@@H]2CCCO2)cc1NC(=O)NNC(=O)CC1CC1	279061430	SFLJOOVQJIBYSJ-NSHDSACASA-N	307.354	1.224	50	20	DDGD	
CC(C)c1ccc(NC(=O)C(=O)NNC(=O)CC2CC2)cc1	274063298	MBMYGJMCMXWXAM-UHFFFAOYSA-N	303.362	1.696	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)C(C)(C)c2ccccc2)CCO1	271309930	WOFAHJZHDDFSIL-JSGCOSHPSA-N	319.405	1.862	50	20	DDGD	
O=C(NNC(=O)C1CC1)C(=O)Nc1cccc(C(F)(F)F)c1	274116995	ZWPCFKZGBWRKPV-UHFFFAOYSA-N	315.251	1.201	50	20	DDGD	
COCCOc1cccc(/C=C/C(=O)NNC(=O)NC(C)C)c1	275448840	SBUBHDIDBWEENB-BQYQJAHWSA-N	321.377	1.464	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)Nc1cnc2ccccc2c1	274028189	CBYZHMUSEMUBGW-UHFFFAOYSA-N	312.329	1.121	50	20	DDGD	
CC(C)(C#N)CC(=O)NNC(=O)c1ccc2c(c1)OCCO2	278631107	YCOIWRRQWPRMQP-UHFFFAOYSA-N	303.318	1.159	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H](C)N(C)CC(F)(F)F)n1	279766608	GKYOQMIIDQODEA-SECBINFHSA-N	318.299	1.034	50	20	DDGD	
C[C@H](NC(=O)NNc1cccnn1)[C@H]1OCCc2sccc21	377398260	JLOJNBFIBJDKOJ-TVQRCGJNSA-N	319.390	1.867	50	20	DDGD	
Cc1c(NNC(=O)N[C@H](C)C[S@@](C)=O)cccc1[N+](=O)[O-]	273355590	CQMMANFKQYDQLV-IJSAXESFSA-N	314.367	1.296	50	20	DDGD	
CC[C@@H]1C[C@H]1NC(=O)NNC(=O)CCc1ccc(OC)cc1	281511448	KFJBUTQDPKPOJC-TZMCWYRMSA-N	305.378	1.757	50	20	DDGD	
Cc1noc(C)c1C(C)(C)C(=O)NNC(=O)c1ccccc1O	281544733	MRMJKRUMHJONOK-UHFFFAOYSA-N	317.345	1.736	50	20	DDGD	
COCCN(C)NC(=O)c1c(C)nc(C2CC2)nc1SC	288505219	MTVADZDVJWRLOV-UHFFFAOYSA-N	310.423	1.607	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNC(=O)c1cccc(N(C)C)c1	288158616	PBURDWHSBRGIJY-LLVKDONJSA-N	321.377	1.103	50	20	DDGD	
COC(=O)NNC(=O)c1ccnc(-c2ccc(Cl)cc2)n1	376796868	CVIVDFJQXDKHLH-UHFFFAOYSA-N	306.709	1.798	50	20	DDGD	
CSCc1noc(CCC(=O)NNc2ncccc2F)n1	285926176	JIBOZQVJTPYIFT-UHFFFAOYSA-N	311.342	1.543	50	20	DDGD	
CC(C)[C@@H](O)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	285796712	PNSMJIFDNQUCNB-SNVBAGLBSA-N	322.333	1.143	50	20	DDGD	
Cc1nnc(COCC(=O)NNc2cccc([N+](=O)[O-])c2)s1	285651618	CJMCIYZQAXDPHY-UHFFFAOYSA-N	323.334	1.415	50	20	DDGD	
COCCCONC(=O)NNC(=O)c1cccc(Cl)c1	287918618	CKTLJENDLJLPBD-UHFFFAOYSA-N	301.730	1.252	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc2c(c1)CCCCC2=O	290354176	LNNNSRFQZGRWDQ-UHFFFAOYSA-N	303.362	1.902	50	20	DDGD	
CCC(CC)(CNC(=O)NNc1ncncc1F)C(=O)OC	293024782	MYJBAIZWTRQERC-UHFFFAOYSA-N	313.333	1.221	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(F)cc(N2CCOCC2)c1	299479375	GIWDZJDWGXCZEK-UHFFFAOYSA-N	312.301	1.055	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1CNC(=O)NNC(=O)c1cnn(C)c1	297890971	RRGYWIXUBAFHNZ-NWDGAFQWSA-N	307.398	1.581	50	20	DDGD	
Cn1ncc(C(=O)NNc2cccc(F)n2)c1C(F)(F)F	804769049	FQRQNTJLBFYYFO-UHFFFAOYSA-N	303.219	1.730	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12	298885184	WDSFAFSJESBQHW-UHFFFAOYSA-N	304.306	1.883	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H]1CCCN(c2ccccc2)C1=O	294241252	SDQAWJYKMXVENF-AWEZNQCLSA-N	315.373	1.377	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2ccccc2Cl)ccn1	806967467	MIRJJPPEMDECFQ-UHFFFAOYSA-N	320.736	1.825	50	20	DDGD	
CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CC=C(C#N)CC1	291425355	KZHGOGKVBQLAGX-LBPRGKRZSA-N	309.366	1.208	50	20	DDGD	
Cc1nc(C(C)C)ccc1C(=O)NNC(=O)c1cccn1C	292926308	ZTZUWVKBQRGFHJ-UHFFFAOYSA-N	300.362	1.927	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CCCO2)cc1OC	292939509	ZMHCEGYBDCKOAT-NSHDSACASA-N	309.322	1.036	50	20	DDGD	
COc1ccc(Cl)cc1NCC(=O)NNC(=O)CC1CC1	294314719	XUPVEEVXRZWRAI-UHFFFAOYSA-N	311.769	1.708	50	20	DDGD	
CCCc1cnc(NC(=O)C(=O)NNc2cccc(F)n2)s1	807390656	JKQUDBPZCWWSFF-UHFFFAOYSA-N	323.353	1.712	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)cc1O	803436413	MNKUUAWFBSVDRG-UHFFFAOYSA-N	320.308	1.862	50	20	DDGD	
Cn1cnc(/C=C(/C#N)C(=O)NCc2ccc(F)c(F)c2)c1	800794791	QDUNVQVZXQYJGX-WZUFQYTHSA-N	302.284	1.922	50	20	DDGD	
C=C(CBr)COC(=O)c1ccnc2c1nnn2C	801495885	RMJHLOGXVMRNEU-UHFFFAOYSA-N	311.139	1.471	50	20	DDGD	
COc1ccc(-c2ocnc2C(=O)NNC(=O)NC2CC2)cc1	291543250	PGSJYGFWUXVERA-UHFFFAOYSA-N	316.317	1.457	50	20	DDGD	
O=C(CCOCC(F)(F)C(F)(F)F)NNc1ccncn1	295392660	GGRQCHLNCSHSRA-UHFFFAOYSA-N	314.214	1.524	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNC(=O)c1cccc(C)n1	805203673	PUJSVQYHKHRRIM-UHFFFAOYSA-N	307.350	1.130	50	20	DDGD	
NC(=O)c1ccc(F)c(NC(=O)NNc2ncccc2F)c1	806219888	PVQHUMUDLICSSQ-UHFFFAOYSA-N	307.260	1.607	50	20	DDGD	
COc1ccc(OCCCNC(=O)NNC(=O)C(C)(C)C)cc1	299162324	WQTYJMSTYAGQKX-UHFFFAOYSA-N	323.393	1.841	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2C)c(Cl)c1	802051264	VJIMWPUWSDTCEB-NSHDSACASA-N	324.768	1.422	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)c1cccc2cccnc12	812488533	GKIDAJVLSFCMPK-NEPJUHHUSA-N	315.373	1.914	50	20	DDGD	
CC(C)(C)C(=O)NC1CCC(C(=O)NNC(=O)CC2CC2)CC1	819139977	BIJIDWUZAIVWJZ-UHFFFAOYSA-N	323.437	1.655	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNc2ncc(F)cn2)cc1	810776695	DNKOKTKVVOXONH-UHFFFAOYSA-N	304.281	1.549	50	20	DDGD	
O=C(CCc1cncs1)NNC(=O)Cc1ccc(F)cc1	814369670	WSNFNEDOZWSYIS-UHFFFAOYSA-N	307.350	1.605	50	20	DDGD	
CCOc1ccc(NNC(=O)Cc2nc3ncccn3n2)cc1	817896520	ZWXHBEFGEJQWHX-UHFFFAOYSA-N	312.333	1.209	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(Br)oc1C	819477153	FIUHZJVZJZJGEW-UHFFFAOYSA-N	304.144	1.657	50	20	DDGD	
C=C(C)C(C)(C)C(=O)NNC(=O)[C@H]1COc2ccccc2O1	819002711	OCSATURGTJXZKP-CYBMUJFWSA-N	304.346	1.576	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCCC2(O)CCC2)c1	817789843	SEGJRMUAGMJRHD-UHFFFAOYSA-N	321.377	1.795	50	20	DDGD	
COc1ccc(NC(=O)NN=C2CCN(C(N)=O)CC2)cc1	814997734	CPIDDLSOOYTADN-UHFFFAOYSA-N	305.338	1.347	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)COc1cc(F)cc(F)c1	810550927	INNHFNQECWVLMW-UHFFFAOYSA-N	317.361	1.637	50	20	DDGD	
Cn1ncc(C=NNC(=O)c2cc3ccccc3cc2O)c1N	814694226	AKAOISUEEPAUOL-UHFFFAOYSA-N	309.329	1.625	50	20	DDGD	
O=C(NNC(=O)c1cncs1)c1cccc(OC(F)F)c1	728487036	RWSQWRMBRCYNLV-UHFFFAOYSA-N	313.285	1.819	50	20	DDGD	
CCC(=O)N1CCC[C@@H](C(=O)NNc2ccc(OC)cc2)C1	729273704	ABEIGMWXYMJPDH-GFCCVEGCSA-N	305.378	1.787	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)/C=C/[C@@H]1CCOC1	822732493	ZAQOIJJHCPDJOY-BRAIEQGRSA-N	308.309	1.648	50	20	DDGD	
COC(=O)NNC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C	496902213	MJNZTNPAOMGNIC-SECBINFHSA-N	301.343	1.163	50	20	DDGD	
Cc1nn(-c2cccc(F)c2)cc1C(=O)NN(C)[C@@H](C)CO	823918308	USTMVIPXOYFRNF-JTQLQIEISA-N	306.341	1.277	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC(C(=O)C(F)(F)F)CC1	490908888	MCHZVPFGJSVPQJ-NTMALXAHSA-N	304.268	1.800	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc([C@@H](C)C(=O)OC)cc1	496117692	GKEOUFAGHKZANU-SECBINFHSA-N	309.322	1.746	50	20	DDGD	
CC(C)(C)OC(=O)NCC(C)(C)C(=O)NNC(=O)CC1CC1	496840426	POUTYLUEZFARSL-UHFFFAOYSA-N	313.398	1.485	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ncc2ccccc2c1O	823804331	NGEQPAARXLDUOC-UHFFFAOYSA-N	300.318	1.294	50	20	DDGD	
COCCn1cc(/C=C(\C#N)C(=O)Nc2nccs2)cn1	490664503	RMPUXJRAUCACIV-IZZDOVSWSA-N	303.347	1.532	50	20	DDGD	
CC(C)C[C@@H]1C[C@H]1C(=O)NNC(=O)Cn1cnc2ccccc21	822198205	HPERNWDUIFQMNP-CHWSQXEVSA-N	314.389	1.866	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)cn1	490694623	LNXUFOHJSXTHPS-AWNIVKPZSA-N	311.301	1.552	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cc(Cl)ncc1F	824437731	ZLEHIMFDNMGHAA-UHFFFAOYSA-N	316.789	1.783	50	20	DDGD	
C[C@H](NNC(=O)c1cnc(O)c(C(F)(F)F)c1)C(F)(F)F	826943546	XTXHYRCWLLSBGM-BYPYZUCNSA-N	317.189	1.991	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1	823940335	XFMFZJOCEJUFSL-NSHDSACASA-N	308.378	1.599	50	20	DDGD	
CCOC(=O)N1CCC(C(=O)NNC(=O)CC(C)(C)C)CC1	491118818	VTAUUKGTYMDTNG-UHFFFAOYSA-N	313.398	1.439	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Cn1ccc(C)n1)c1ccccc1	823243327	JWCWSDYKYGNGSV-AWEZNQCLSA-N	300.362	1.533	50	20	DDGD	
CC[C@@H](NCc1ccccc1B(O)O)[C@@H](O)c1ccccc1F	585027371	RFWQURWGPXDSAE-SJORKVTESA-N	317.169	1.107	50	20	DDGD	
CC[C@@H]1C[C@H](Cc2nc(-c3cccc(B(O)O)c3)no2)CCO1	585053204	IGGRSGQTPOPHGD-BXUZGUMPSA-N	316.166	1.164	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1cnn(CC2CCC2)c1	901257222	BIOMLWRCVCJHNM-DOMZBBRYSA-N	304.394	1.948	50	20	DDGD	
CC(C)C(=O)NCCN(C)C(=O)[C@@]1(C)C[C@H]1Br	907187787	NFMRQSCJXONXOI-SKDRFNHKSA-N	305.216	1.391	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@H](CO)Cc1ccncc1Cl	491157783	ALFYHTIZNMPJKT-BVRAVYJCSA-N	323.780	1.446	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2C[C@H]2C(=O)O)cc1	736296371	APGGYSIVKABFGR-VXGBXAGGSA-N	304.346	1.466	50	20	DDGD	
C[C@H]1CN(Cc2ccccn2)CCC1=NNC(=O)c1ncon1	901289838	MQTFZKIXWAYYGY-NSHDSACASA-N	314.349	1.092	50	20	DDGD	
COCCN1C[C@H](C(=O)NNc2ccc(C(C)C)cc2)CC1=O	837056056	RQEHGCZNJYMEIP-CQSZACIVSA-N	319.405	1.748	50	20	DDGD	
CCO[C@@H]1C[C@H](NCc2ccccc2B(O)O)C12CCCC2	585026028	BMRYFHNKIQMIPL-JKSUJKDBSA-N	303.211	1.194	50	20	DDGD	
COCCOc1ccccc1/C=C(/C#N)S(=O)(=O)N(C)C	588616015	MYZQWAVMTPPXFM-RAXLEYEMSA-N	310.375	1.468	50	20	DDGD	
O=C(NNc1ncccc1Cl)c1ccnc(-n2cncn2)c1	734246184	ARBSUEHIJOLSJD-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNC(=O)[C@H](CC)c1ccccc1	836605665	XVBCRKKROKCTBI-KFWWJZLASA-N	317.389	1.854	50	20	DDGD	
COc1cc(NNC(=O)CS(=O)(=O)C2CC2)ccc1Cl	831382230	RIYFHNWPPQVRBR-UHFFFAOYSA-N	318.782	1.369	50	20	DDGD	
O=C(C#CC1CC1)NNC(=O)CSc1ccc(Cl)cc1	837309671	SVVIIVFLIYXOIJ-UHFFFAOYSA-N	308.790	1.993	50	20	DDGD	
Cc1cc(N2CC[C@@H](B(O)O)C2)c([N+](=O)[O-])cc1C(F)(F)F	585079244	VUZWNIJRTCEHTG-MRVPVSSYSA-N	318.060	1.975	50	20	DDGD	
COC(=O)COc1ccccc1C=NNC(=O)NCC1CC1	901176353	IOHPNWHNSLOEFO-UHFFFAOYSA-N	305.334	1.282	50	20	DDGD	
C=CCCOCCCCc1nc(-c2ccc(B(O)O)cc2)no1	585051136	VGODKUUUDOEBSC-UHFFFAOYSA-N	316.166	1.332	50	20	DDGD	
CO[C@@H]1C[C@H](NC(=O)NNc2ccc(Cl)nn2)C12CCC2	838767449	OCMHCSADUQWXBB-DTWKUNHWSA-N	311.773	1.714	50	20	DDGD	
CCOCCO[C@H]1CCN(C(=O)[C@@]2(C)C[C@H]2Br)C1	907099539	ALBCXFICPVZEJV-LOWVWBTDSA-N	320.227	1.814	50	20	DDGD	
COc1ccnc(C(=O)NNC(=O)c2ccccc2OC)c1	734773438	GYUAKSVNLVOBAV-UHFFFAOYSA-N	301.302	1.174	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCN(C3CCCCC3)C2)c(F)c1	585046739	BKHJCUJYHAIWNU-HNNXBMFYSA-N	320.217	1.002	50	20	DDGD	
CCC(C)(C)OCC(=O)NNC(=O)COc1ccccc1OC	837310663	FHDXEVZSHGHXSG-UHFFFAOYSA-N	324.377	1.427	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2	838527344	PQRAZIOQQXRIBY-MVWJERBFSA-N	324.331	1.944	50	20	DDGD	
CC(C)c1ccc(NC(=S)NNC(=O)[C@H]2CCC(=O)N2)cc1	913446143	UZKSJXLRNWSJCO-GFCCVEGCSA-N	320.418	1.406	50	20	DDGD	
CC[C@@H](NC(=S)NNC(=O)CCN(C)C)c1cccs1	734371523	SRXCELSDLSBPMG-SNVBAGLBSA-N	314.480	1.646	50	20	DDGD	
Cc1csc(CCCCNC(=O)NNc2ccncn2)n1	836271609	LLGHTVFNTFQUBC-UHFFFAOYSA-N	306.395	1.891	50	20	DDGD	
Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNc1ncc(F)cc1F	837205537	AOJRFGVMFRUIIF-SSDOTTSWSA-N	309.320	1.957	50	20	DDGD	
COc1cccc(C2(C(=O)NNC(=O)[C@H]3CCCCO3)CC2)c1	833235501	FSOLNBUQETUKLH-CQSZACIVSA-N	318.373	1.443	50	20	DDGD	
C/C(=C\C(=O)OCC(=O)NNC(=O)c1cccs1)C1CC1	919546080	DZHPJZLQYYIOQT-VQHVLOKHSA-N	308.359	1.409	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)NCC2CC2)ccc1Cl	848449858	CMASOPHZRCRMJI-UHFFFAOYSA-N	317.798	1.551	50	20	DDGD	
Cc1cccc(C)c1NCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843979178	MORPPRAUDBGLMM-CHWSQXEVSA-N	305.378	1.288	50	20	DDGD	
CCOc1ccc(C(=O)NN=Cc2ccnn2C)cc1OC	914555479	SZZTZHPVHFLEJS-UHFFFAOYSA-N	302.334	1.591	50	20	DDGD	
CO[C@]1(C=NNC(=O)Cc2nc3ccccc3n2C)CCOC1	841610842	UEQMCABUZBVRRL-INIZCTEOSA-N	316.361	1.023	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc(O)c([N+](=O)[O-])c1	740762347	MOIKXROOTGZHEC-UHFFFAOYSA-N	322.321	1.055	50	20	DDGD	
C[C@H]1CCC[C@H](OCC(=O)NNc2ncnc3[nH]cnc23)C1	743471759	UZTFIUUJCRISAL-UWVGGRQHSA-N	304.354	1.391	50	20	DDGD	
COc1ccc(CNC(=S)NNC(=O)CC(F)(F)F)cc1	916163127	QVEHVYOKTYJLFX-UHFFFAOYSA-N	321.324	1.643	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)[C@H]1Cc2ccccc21	742070374	SRPDNIBEKHRDSK-ZDUSSCGKSA-N	312.325	1.258	50	20	DDGD	
CC(C)(CNC(=O)NNc1ccc(Cl)nn1)OCC1CC1	840425749	AIXFTAMKMLPNIT-UHFFFAOYSA-N	313.789	1.961	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)/C=C/c1ccc2[nH]ccc2c1	843661997	PKTKVCNBKPEQRZ-IVDNPREJSA-N	313.357	1.754	50	20	DDGD	
C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)NN)cc2)C1	841016206	GAXADZYYZRDWCU-SNVBAGLBSA-N	312.395	1.102	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	841000153	OLXFGAKQIAJUFZ-GFCCVEGCSA-N	309.322	1.417	50	20	DDGD	
Cc1cccc(C2(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)CCC2)c1	843644093	OGZHYITYGWPKLT-HIFRSBDPSA-N	316.401	1.989	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccc(C)o2)c(=O)n(C)c1	757716438	UBPOYWYWJRERTC-UHFFFAOYSA-N	304.306	1.062	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2	754672578	CTFQHHAJOKHQHJ-SZEHBUNVSA-N	321.299	1.227	50	20	DDGD	
CCCn1nccc1C=NNC(=O)CNC(=O)OC(C)(C)C	853328975	SFZCJBHNOGNSFY-UHFFFAOYSA-N	309.370	1.268	50	20	DDGD	
COC1CC(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)C1	858144691	SPDBPFPHJMTNIA-KPPDAEKUSA-N	310.325	1.165	50	20	DDGD	
O=C(NC[C@@H]1CCCC(F)(F)C1)NNC(=O)c1cn[nH]c1	858425244	FBVDPUGVJQVQND-MRVPVSSYSA-N	301.297	1.179	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1C(=O)NNc1nc(C)cc(C)n1	756805069	OGHANLPDWWDYCI-UHFFFAOYSA-N	317.305	1.767	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CC1(C)C	854929044	WXEWKKSXWISQHA-CQSZACIVSA-N	315.439	1.212	50	20	DDGD	
C[C@@H]1CN(C2CC2)CC1=NNC(=O)COc1ccccc1F	755881181	RYJCLXCLDAFXTD-LLVKDONJSA-N	305.353	1.791	50	20	DDGD	
CC(C)Oc1ccc(NC(=O)NNC(=O)c2cnccn2)cc1	755928269	XUGHNZYLDREIKP-UHFFFAOYSA-N	315.333	1.730	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1ccc(C)cn1	753276716	DYYQNJPDBBXTGA-UHFFFAOYSA-N	315.329	1.239	50	20	DDGD	
Cc1nc(C(=O)NNC(=S)NCC2CCC2)c2ccccn12	855091488	RVWKVDJEQDYBBM-UHFFFAOYSA-N	317.418	1.552	50	20	DDGD	
O=C(C[C@H](n1cccn1)C(F)(F)F)NNc1ccncn1	854746846	HOYMVOYMBACTAJ-QMMMGPOBSA-N	300.244	1.310	50	20	DDGD	
O=C(CNC(=O)NNc1ccc(Cl)cn1)NC1CCCC1	852027907	FUIMPVLNFYSCTK-UHFFFAOYSA-N	311.773	1.420	50	20	DDGD	
O=C(CC1CCSCC1)NNC(=O)OCC(F)(F)F	856022281	XDGPJNMSONODKI-UHFFFAOYSA-N	300.302	1.839	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1cccc(F)n1)[C@@H]1CCCO1	852227553	DWRNXQUWZIIXCJ-KOLCDFICSA-N	310.329	1.122	50	20	DDGD	
CC(C[C@@H]1CCOC1)=NNC(=O)C(=O)Nc1ccc(C)cc1	751521993	SOHRGGFXEXCWLF-ZDUSSCGKSA-N	303.362	1.852	50	20	DDGD	
CO[C@H]1CCC[C@@H](C(=O)NNC(=O)c2cccc(Cl)n2)C1	857324978	OPKJSELTJYITLI-ZJUUUORDSA-N	311.769	1.701	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=CC1CCOCC1	755588262	OXRKVUGMQCZUCQ-BFHYXJOUSA-N	311.426	1.260	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=S)N[C@@H](C)C2CC2)cc1O	855099142	SHXPUJZNHHNKHY-JTQLQIEISA-N	307.419	1.537	50	20	DDGD	
C[C@]1(CN[C@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H]1Br	857247149	PJWJNBDQVMXRFJ-SGMGOOAPSA-N	322.206	1.848	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NC[C@@H]1CN(C)CCN1C	853719569	PSFJQCHHTNJVJT-CYBMUJFWSA-N	309.389	1.006	50	20	DDGD	
CSSCCNC(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1	852315866	YLHOKRQKRKSOEO-NXEZZACHSA-N	303.453	1.308	50	20	DDGD	
Cc1oc2ccccc2c1C=NNC(=O)[C@H]1CCS(=O)(=O)C1	758097318	BDLNOEJPSWQCGF-NSHDSACASA-N	320.370	1.626	50	20	DDGD	
C=CCCCNC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	852289391	PTWVQVHPIZHXIA-UHFFFAOYSA-N	312.414	1.226	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21	858781299	BUWCONIJTCZGFQ-RRFJBIMHSA-N	311.341	1.696	50	20	DDGD	
Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNC(=S)N[C@H](C)C1CC1	855102189	HPLLUCHBTNUBNG-RKDXNWHRSA-N	323.466	1.434	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1cnc(C2CC2)s1	761803468	BUYRWOAIRRHYIZ-LLVKDONJSA-N	322.434	1.439	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	860541178	SOVMWVQBJFZGEH-RWMBFGLXSA-N	321.471	1.431	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)n1	862524760	UDMGIQBYXFVKFD-LBPRGKRZSA-N	302.378	1.624	50	20	DDGD	
CSCc1noc(CCC(=O)NN[C@H](C)C(F)(F)F)n1	862314917	MQACZPCAWRSBMD-ZCFIWIBFSA-N	312.317	1.437	50	20	DDGD	
O=C1CSC[C@@H](C(=O)NNc2ccc(Cl)c(F)c2)N1	935023913	JNKZMABOIRXGHW-VIFPVBQESA-N	303.746	1.154	50	20	DDGD	
CCOCC(=O)NNC(=O)C(=O)Nc1ccccc1C(C)(C)C	764325377	MKPALRJUKVKYOU-UHFFFAOYSA-N	321.377	1.107	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=CCCc1c(F)cccc1Cl	863187943	WIVLCGFXLNAZGK-UHFFFAOYSA-N	320.773	1.558	50	20	DDGD	
CC(C)[C@@H](O)C1(CNS(=O)(=O)CC(C)(C)CCl)CC1	867058929	MIOFSKILNBPYHY-LLVKDONJSA-N	311.875	1.968	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccccn2)nc1Cl	766948899	KXNZBLNNBJBRBV-UHFFFAOYSA-N	306.709	1.213	50	20	DDGD	
COC/C=C\C(=O)NNC(=O)COc1cc(C)ccc1C(C)C	864449128	YSYXDPSMVGGLRS-WAYWQWQTSA-N	320.389	1.847	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1cc(Cl)cc(C)c1O	863150417	UKXOVAYERGKKPV-NSHDSACASA-N	309.753	1.473	50	20	DDGD	
CCn1ncc(C(=O)NNc2ccc(C(=O)OC)c(F)c2)c1C	868781263	NTTWODMUGNORFS-UHFFFAOYSA-N	320.324	1.894	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1ncc(F)cc1F	760224827	REGBZEDLAPAPOE-UHFFFAOYSA-N	318.243	1.562	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1cccc2ccsc12	767982996	WYTFAEUVNPGGLU-UHFFFAOYSA-N	300.343	1.628	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CCC(=O)NN[C@@H](C)C(F)(F)F	862308364	DELKEMXCOXRCOA-LURJTMIESA-N	309.248	1.061	50	20	DDGD	
CC(C)O[C@@H]1C[C@@H](NS(=O)(=O)CBr)C1(C)C	766080630	NZVVGQJTFYGWKV-RKDXNWHRSA-N	314.245	1.850	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(F)cc1OCC1CC1	763444135	SIMHBEFRSZBSPO-UHFFFAOYSA-N	323.324	1.110	50	20	DDGD	
C[C@H](NNC(=O)[C@@H](C)NC(=O)C1CCCCC1)C(F)(F)F	862308224	AFXRCONUPDOQEH-BDAKNGLRSA-N	309.332	1.643	50	20	DDGD	
Cc1nocc1CNC(=O)NNC(=O)CCc1ccccc1	875952720	BTCBJMIVPUQFOC-UHFFFAOYSA-N	302.334	1.446	50	20	DDGD	
CC(C)(O)[C@H](Oc1ccccc1)C(=O)NNc1ccc(F)cn1	874648515	RYAAIFHDTCOPNV-CQSZACIVSA-N	319.336	1.882	50	20	DDGD	
COc1ccc([C@H](NC(=O)NNC(=O)C2CCC2)C2CC2)cn1	875932149	WYYWNVCUXCATFG-CQSZACIVSA-N	318.377	1.672	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](c1ccccc1)C(C)C	772162567	UVUVHFRJWDXTDK-DOMZBBRYSA-N	320.389	1.915	50	20	DDGD	
CC[C@@H]1CCCCC1=NNC(=O)CNC(=O)c1cccnc1	779778553	ZFFOLFJYVXGBKQ-GFCCVEGCSA-N	302.378	1.884	50	20	DDGD	
C[C@H](COc1ccccc1F)NC(=O)NNC(=O)C(C)(C)C	1115889299	QRSZVBLUABGNST-SNVBAGLBSA-N	311.357	1.970	50	20	DDGD	
CCN1CCO[C@@H](C(=O)NNc2cc(Cl)ccc2F)C1	871272601	VUKCJRCPDYZEDG-GFCCVEGCSA-N	301.749	1.643	50	20	DDGD	
CCCc1c(C(=O)NN(C)C(N)=O)cnn1Cc1ccccc1	778414453	DCQSFYPJLIYTTB-UHFFFAOYSA-N	315.377	1.539	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NNc1ccc(F)cn1	874647243	PFSBNJMNZDBVTL-SNVBAGLBSA-N	310.329	1.673	50	20	DDGD	
Cc1cccc(NNC(=O)NCc2cnc(N(C)C)n2C)n1	875355123	IOTVPWMDWBJNDI-UHFFFAOYSA-N	303.370	1.016	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)c2cc3ccccc3cc2O)c[nH]1	779163096	PDTOUVRVTRWYQK-UHFFFAOYSA-N	320.308	1.820	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)Cc1ccc(C(N)=O)cc1	772832326	YKDLFESMXBMYOB-UHFFFAOYSA-N	313.361	1.385	50	20	DDGD	
CCc1noc(C)c1C(=O)NNC(=O)CCc1ccccc1O	776141401	GJYSMSRNRTZHHG-UHFFFAOYSA-N	317.345	1.645	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)c2cccc(OC)c2O)co1	776120991	IEKBAMCDEBFENA-UHFFFAOYSA-N	305.290	1.026	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCC(C)(C)C2CCOCC2)cn1	887387422	SRVLTRJEHVHXEJ-ZSOIEALJSA-N	316.405	1.896	50	20	DDGD	
CCCN1CCN(S(=O)(=O)CCCCl)C(C)(C)C1=O	882090592	RLFHDVHAQQXQRJ-UHFFFAOYSA-N	310.847	1.278	50	20	DDGD	
O=C(NNc1cc(Br)ccc1F)C1(O)CCC1	885148183	YFAWSCOKIBIHGO-UHFFFAOYSA-N	303.131	1.946	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)c1)NOC1CCOCC1	773530927	CRGAKQQVVDZCKX-UHFFFAOYSA-N	313.741	1.395	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NO[C@@H]1CCCCO1	776227648	KQOKEHAHRTYLCY-OAHLLOKOSA-N	321.377	1.798	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C\c1ccccc1C#N	771970153	JBOIKRVNICYZMO-TYBABMIJSA-N	315.329	1.061	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2cccc(S(C)(=O)=O)c2)CCO1	773201550	QBIZMTOZXLOUEG-JTQLQIEISA-N	310.375	1.375	50	20	DDGD	
CC(C)c1nnc(C(=O)NNC(=O)c2ccccc2F)s1	773707247	PBVWQPCAGPEEEH-UHFFFAOYSA-N	308.338	1.875	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccnn1CCc1ccccc1	887152055	USGJDUKIAHQXLR-UHFFFAOYSA-N	324.384	1.690	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)n1)c1cnn(CC2CC2)c1	880697696	URPZQMYUNYFHHC-UHFFFAOYSA-N	319.752	1.416	50	20	DDGD	
C#CCCCC(=O)NNC(=O)COCCOc1ccccc1	887142191	ZJSZFAPNNUOTDS-UHFFFAOYSA-N	304.346	1.033	50	20	DDGD	
CN(C)C1(CNC(=O)NNc2ccc(C#N)cn2)CCCC1	887610178	JGQVQCMUOYPBHM-UHFFFAOYSA-N	302.382	1.454	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)C1CCOCC1	883062083	QESOQOXQZDNTBA-MNOVXSKESA-N	322.327	1.929	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)[C@H]1C[C@@H]1c1cccc(F)c1	882664893	OOJFDAWSXKKBKE-OLZOCXBDSA-N	314.382	1.678	50	20	DDGD	
CCC[C@]1(C)C(=O)NCCN1S(=O)(=O)CCCCCl	782516919	PNURHVQVEYQGEG-GFCCVEGCSA-N	310.847	1.326	50	20	DDGD	
COC(=O)c1sccc1OS(=O)(=O)CBr	782435275	OCNLQZFUICCAJN-UHFFFAOYSA-N	315.166	1.596	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cnn(CCC)c1C1CC1	887146841	NHRABWJKWDVAEC-UHFFFAOYSA-N	302.378	1.735	50	20	DDGD	
Cn1nc([C@@H]2CCCO2)cc1NC(=O)NNc1ccccn1	788724856	LWIFHKQEBHVTIG-NSHDSACASA-N	302.338	1.815	50	20	DDGD	
C[C@H]1C[C@H](CCNC(=O)NNc2ncncc2Cl)CCO1	781015810	ILUBRRAEWXZOLT-VHSXEESVSA-N	313.789	1.961	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@H]1CCOc2ccccc21	899995006	DMILKCXSNHBJGG-LLVKDONJSA-N	307.419	1.847	50	20	DDGD	
C=CCOC(=O)/C(C#N)=C\c1ccc(OCC(=O)OC)cc1	782180861	SHYHVNUVSSRDMX-LCYFTJDESA-N	301.298	1.875	50	20	DDGD	
CC(CCCCN(C)C)=NNC(=O)CNC(=O)c1ccco1	781121789	GWLXBQVNYANSMU-UHFFFAOYSA-N	308.382	1.233	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@@H]1COc2ccccc2C1	781830736	UYLNERSEQCCPDJ-JTQLQIEISA-N	304.737	1.824	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cccc(C(N)=O)c1	780733501	ZYBLBXUIDSESFA-UHFFFAOYSA-N	313.313	1.329	50	20	DDGD	
CCNC(=O)Nc1ccc(C)c(NC(=O)NNC(=O)C(C)C)c1	786404172	IQJJBRJRKLLABC-UHFFFAOYSA-N	321.381	1.945	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1noc(-c2ccc(F)cc2)n1	897861083	VKSZYZBWJJJRQJ-UHFFFAOYSA-N	304.281	1.437	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ccc(O)cc1O	781012218	FCYXQPSURLZYCB-UHFFFAOYSA-N	302.286	1.641	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCCc1nc(C(C)(C)C)no1	780712556	YKQHEXLKJDWKAR-UHFFFAOYSA-N	311.386	1.382	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cnn(CC2CC2)c1	793078198	CVOSHLDHABGTFG-UHFFFAOYSA-N	314.436	1.359	50	20	DDGD	
C=C(CBr)CN(C)CCN1C[C@H](C)O[C@H](C)C1	791544417	ONOWLAZPKRGMBT-BETUJISGSA-N	305.260	1.979	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCC[C@@H]2c2ccccn2)CC1	794940070	PYEJJZSMMIFPAW-CYBMUJFWSA-N	301.394	1.662	50	20	DDGD	
C=C(C)CN(CC(=O)NNC(=O)C1CC1)Cc1ccccc1	791565668	GXKCODVNGYNLFA-UHFFFAOYSA-N	301.390	1.622	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCSCC[C@@H]1C	794570986	UKSDGDLTWVLUGX-NWDGAFQWSA-N	301.456	1.396	50	20	DDGD	
COc1cncc(C(=O)NNC(=S)Nc2cccc(C)c2)n1	791097673	DYANQUWQLYPUBI-UHFFFAOYSA-N	317.374	1.425	50	20	DDGD	
CCc1cccc2c1OCCC2=NNC(=O)C(=O)N1CCCC1	794899523	NHDFAJPAIKIJKK-UHFFFAOYSA-N	315.373	1.474	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)Cc1ccccc1SC	791600397	YUQACLYWOASJMM-NSHDSACASA-N	309.435	1.786	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(C#N)o2)c(OC)c1	794299265	ZQNOVJOCXDRQOS-UHFFFAOYSA-N	315.285	1.243	50	20	DDGD	
CC(C)Cc1ncc(NC(=O)NNc2ncc(F)cn2)cn1	791949996	YMTHMASVLZKRDD-UHFFFAOYSA-N	305.317	1.753	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCOC[C@H]2CC(C)C)n1	793219847	HBICWJHSKPWVPS-CYBMUJFWSA-N	320.393	1.491	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)n1	792053381	VJENYRPDIKCHMH-CYBMUJFWSA-N	322.328	1.182	50	20	DDGD	
C[C@@H]1CCCC[C@H]1OCC(=O)NNc1nc2ccccn2n1	791258364	UAUICYBZQOHAQM-VXGBXAGGSA-N	303.366	1.768	50	20	DDGD	
C=C(CBr)COC(=O)c1cc(=O)c(OC)co1	798669493	MUFRIGADJBFPBT-UHFFFAOYSA-N	303.108	1.756	50	20	DDGD	
Cc1ccc2c(c1)S[C@H](C(=O)NNC(=O)c1cnn(C)c1)C2	1318657294	ZJUCZSKHBQJUII-ZDUSSCGKSA-N	316.386	1.207	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cccc(N2CCOC2=O)c1	1317861606	XKBOTAAUCJBNBP-UHFFFAOYSA-N	322.390	1.161	50	20	DDGD	
COC(=O)C(=O)NN=C(C)[C@H]1CCN(Cc2ccccc2)C1	1319928479	OLSGMQMDQJUGNW-AWEZNQCLSA-N	303.362	1.174	50	20	DDGD	
Cc1nnsc1C(=O)NNc1ccc2c(=O)[nH]ccc2c1	1325941740	LMYLKXFSWNZBNP-UHFFFAOYSA-N	301.331	1.445	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnn(C2CCCCC2)c1	1329540562	VQISBRUVGXNVGP-RISCZKNCSA-N	320.393	1.574	50	20	DDGD	
Cc1cccc(OCCN(C)C(=O)NNC(=O)c2cn[nH]c2)c1	1329193780	QTGJFBSCJJMURF-UHFFFAOYSA-N	317.349	1.083	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCCC(=O)OC(C)(C)C)n1	1328581769	VVORNUHKVYRAAB-UHFFFAOYSA-N	321.377	1.663	50	20	DDGD	
CCc1c(NC(=O)NNC(=O)CCO)cnn1C(CC)CC	1321073818	IQGZWWLKMJGNTM-UHFFFAOYSA-N	311.386	1.342	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1[nH]ccc1-c1ccccc1	1328591629	MARUQAMWAKEQFI-DGCLKSJQSA-N	313.357	1.868	50	20	DDGD	
C[C@H]1CC[C@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CC1	1326475652	KQJJUIRRXFSMJM-XYPYZODXSA-N	304.394	1.876	50	20	DDGD	
COC(=O)C(=O)NN=Cc1cc(Br)ccc1OC	1339878931	JCQJQWMFLCYQNQ-UHFFFAOYSA-N	315.123	1.081	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc(NC(=O)C(C)C)cc1	1337309808	OYJUPPXRRAPFPE-UHFFFAOYSA-N	322.434	1.798	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)CSc1ccccc1O	1335873237	BBASYDKXROZIHE-ZYHUDNBSSA-N	324.402	1.447	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccc(Cl)c(C(F)(F)F)c1	1330728499	AZPBPENERIDOGJ-UHFFFAOYSA-N	308.643	1.982	50	20	DDGD	
C[C@@H]1C[C@H](CNC(=O)NNc2nncc(N)c2Cl)[C@@H](C)O1	1331384604	ALWSGVZCITZAEV-BWZBUEFSSA-N	314.777	1.152	50	20	DDGD	
O=C(COCc1cccnc1)NNC(=O)c1ccccc1Cl	1346327394	OTNCFIIKXOOLEQ-UHFFFAOYSA-N	319.748	1.713	50	20	DDGD	
CO[C@H]1CCC[C@@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)C1	1261233186	JBIHKCBSJIVXSF-MNOVXSKESA-N	320.393	1.255	50	20	DDGD	
O=C(C[C@@H]1CC[C@@H]2C[C@H]12)NNC(=O)c1n[nH]c2c1CCCC2	1261254548	RLFWJKCZUCNJSZ-SCVCMEIPSA-N	302.378	1.486	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1CCC(=NNC(=O)Cc2cc[nH]n2)C1	1351650846	KXYGORRXBWHLLN-JTQLQIEISA-N	321.381	1.502	50	20	DDGD	
CO[C@@H](C(=O)NNc1cccc(F)c1C(=O)O)[C@H]1CCOC1	1606650791	NWSFTANNGHWDKJ-QPUJVOFHSA-N	312.297	1.019	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)N[C@@H]1CCN(CC2CC2)C1	1601558853	HDSWOJXLPLUNIL-CQSZACIVSA-N	318.377	1.495	50	20	DDGD	
CCc1ncsc1NC(=O)NNc1ncccc1C(=O)O	1603988713	HYWQSSOKBPEAKJ-UHFFFAOYSA-N	307.335	1.947	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1ccc(C)nc1C	1549319665	IQJFGKHYZPLLTD-GDBMZVCRSA-N	316.405	1.402	50	20	DDGD	
C[C@@H]1CNc2c(C(=O)NNC(=O)Cc3ccsc3)cnn2C1	1548649017	PDIYDKYLSNDEKG-SECBINFHSA-N	319.390	1.010	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C=NNC(=O)c1ncccn1	1552453403	LMQJQVOICIBYNT-VXGBXAGGSA-N	314.349	1.094	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H]2CC[C@H](C3CC3)N2)cc1	1579724060	OZQZMSJXJWVPRI-HUUCEWRRSA-N	316.405	1.085	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@@H]2CCC[C@H]2N)c(F)c1	1578872818	FOEFRWRHHFEGTN-JOYOIKCWSA-N	309.341	1.573	50	20	DDGD	
CCCNNC(=O)[C@@H](F)[C@H]1CCN(C(=O)OC(C)(C)C)C1	1577572958	WZCJSFKFULBJRH-QWRGUYRKSA-N	303.378	1.612	50	20	DDGD	
CCN[C@H](C)C(=O)NNC(=S)Nc1cccc(Cl)c1	1577810585	LQRKWYAXYPZRKV-MRVPVSSYSA-N	300.815	1.656	50	20	DDGD	
NCCCCCC(=O)NNC(=O)CCOc1cccc(F)c1	1580292884	YMMAKYHPVMTQGX-UHFFFAOYSA-N	311.357	1.261	50	20	DDGD	
C[C@@]1(CCC(=O)NNc2ccc(CC(=O)O)cc2)CCC(=O)N1	1594003630	XHBNNDIDRQVLLH-INIZCTEOSA-N	319.361	1.206	50	20	DDGD	
CNc1nc(C)cc(C(=O)NNc2cccc(C(=O)O)c2C)n1	1598681487	LYFVNSZEDRWXJD-UHFFFAOYSA-N	315.333	1.590	50	20	DDGD	
C[C@@]1(CCC(=O)NNc2cccc(C(=O)O)c2)CCC(=O)N1	1594003352	UQMQJOFLTSEINO-HNNXBMFYSA-N	305.334	1.277	50	20	DDGD	
CO[C@H](CNC(=O)NNc1ccc(F)c(C(=O)O)c1)C(C)C	1599049644	MLQYTZKURBFCDU-GFCCVEGCSA-N	313.329	1.821	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1ccc(C(=O)O)cn1	1594420004	MTXQZGLPZAYQCB-UHFFFAOYSA-N	314.301	1.555	50	20	DDGD	
CC[C@H](C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@@H](C)O	1590368430	BTDXSTJZPBLYFY-APPZFPTMSA-N	324.772	1.370	50	20	DDGD	
CCCCOC(=O)/C(C#N)=C/c1nc(-c2nn[nH]n2)cs1	1590606482	ZLOKHXZZMLYNSB-VMPITWQZSA-N	304.335	1.573	50	20	DDGD	
Cc1cccc(NNC(=O)COc2cccc(-c3nn[nH]n3)c2)c1	1592235795	VRXSHKNFTTYHFK-UHFFFAOYSA-N	324.344	1.697	50	20	DDGD	
COC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)C	1795449580	BQQPSXCHOSRHBT-RNJOBUHISA-N	316.829	1.534	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)OC)cnn1-c1ccccc1	158783525	GAVZTBNFYICVNZ-UHFFFAOYSA-N	302.334	1.826	50	20	DDGD	
O=C(NNC(=O)c1cc(=O)[nH]c2cc(F)ccc12)c1ccc[nH]1	158820214	VOMPTYZEGNHRAR-UHFFFAOYSA-N	314.276	1.070	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H](CO)CC(C)C	160640731	LSXAOWVACYOVTC-LBPRGKRZSA-N	301.818	1.876	50	20	DDGD	
O=C(NNC(=O)c1ccc(O)c([N+](=O)[O-])c1)c1ccccc1	163970638	PPIYJPOCXPLMIH-UHFFFAOYSA-N	301.258	1.375	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cccc(C#N)c1)[C@@H](C)C(C)C	165037015	PQDMCEDZHLQQDI-ZDUSSCGKSA-N	316.405	1.686	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@]1(O)CCSC1)c1ccccc1	153886926	LXCFAAXUNUKBMN-IUODEOHRSA-N	308.403	1.196	50	20	DDGD	
CCc1cccc(NC(=O)C(=O)NNc2nc(C)cc(C)n2)c1	156254235	LVGKKDPQCBFBJL-UHFFFAOYSA-N	313.361	1.738	50	20	DDGD	
COCCC1(CNC(=O)NNC(=O)c2ccccc2)CCC1	154965790	MODFWWDAFHZADT-UHFFFAOYSA-N	305.378	1.837	50	20	DDGD	
C[C@H]1OCC[C@@]1(O)CNS(=O)(=O)c1ccc(CCl)cc1	312843584	LCRWQXXVQIAHOV-ZWNOBZJWSA-N	319.810	1.244	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(Cl)nc2)n1	8292320	VUNVAJRTVRPNKJ-UHFFFAOYSA-N	307.741	1.010	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccoc2C)cc1OC	8351185	JRLLLDWQPSMIHR-UHFFFAOYSA-N	304.302	1.680	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccc(C)n2C)c1O	54144709	UPRWQPHTFGYMOU-UHFFFAOYSA-N	303.318	1.123	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1csc(C2CC2)n1	171510671	TWGAORQXTBMKDC-UHFFFAOYSA-N	302.359	1.419	50	20	DDGD	
CCN1CCCC[C@H]1CNC(=O)NNC(=O)OC(C)(C)C	111883385	KLBPHJDQRFJJNE-NSHDSACASA-N	300.403	1.600	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C2[C@H]3CCC[C@H]23)cc1OC	177618536	BRQZZBDWEMQAQV-RYUDHWBXSA-N	318.373	1.901	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1ccoc1	61500628	AONQODOOGDXWRK-UHFFFAOYSA-N	311.338	1.346	50	20	DDGD	
CCN1CCCC[C@@H]1CNC(=O)NNC(=O)c1ccc(C)s1	111478679	RILWVZDPIIKNPW-GFCCVEGCSA-N	324.450	1.875	50	20	DDGD	
CNC(=O)NNC(=O)c1csc(Cc2ccc(C)cc2)n1	118996420	RNFXADRUPWAKRK-UHFFFAOYSA-N	304.375	1.616	50	20	DDGD	
COC(C)(C)C[C@H](C)NC(=O)NNc1nncc(N)c1Cl	1340574624	XRJFUPRNIRTRFI-ZETCQYMHSA-N	316.793	1.542	50	20	DDGD	
CSc1cc(C(=O)NNC(=O)c2c[nH]nc2C)ccc1F	119700405	UZQSFLVILMMCIL-UHFFFAOYSA-N	308.338	1.654	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)/C=C/C2CCOCC2)cc1	112162864	KTKDZBNPOZTVHT-VMPITWQZSA-N	302.374	1.993	50	20	DDGD	
CCN(CCNC(=O)NNC(=O)c1ccccc1OC)C(C)C	67480029	BLXCBRKFWWTIDW-UHFFFAOYSA-N	322.409	1.370	50	20	DDGD	
CC[C@H]1CCN(C(=O)NNC(=O)COCc2ccccc2)C1	120644906	ZVPCNUPSNIXMQS-ZDUSSCGKSA-N	305.378	1.676	50	20	DDGD	
O=C(NNC(=O)c1occc1COc1ccccc1)NC1CC1	64429186	SURKGKRORFREJV-UHFFFAOYSA-N	315.329	1.965	50	20	DDGD	
CSC[C@@H]1CCCN(S(=O)(=O)CBr)C1	308571567	KNAWZTBMMHNTSV-MRVPVSSYSA-N	302.259	1.744	50	20	DDGD	
COCCCNC(=O)NNC(=O)/C=C/c1ccccc1OC	65212091	QQICIVZVASKNCB-CMDGGOBGSA-N	307.350	1.075	50	20	DDGD	
CC[C@@H](C)N(C)CCNC(=O)NNc1nc2ccccn2n1	188409549	VMLFPTATAZTRBU-LLVKDONJSA-N	305.386	1.086	50	20	DDGD	
CCCn1cc(NC(=O)NNC(=O)Cc2ccncc2)cn1	186218699	JTJMSNQNPWTTSY-UHFFFAOYSA-N	302.338	1.084	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)[C@@H](O)c1ccccc1	73854879	ZBKNFNPQIOYHLF-INIZCTEOSA-N	314.341	1.084	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(F)c(F)c(O)c2F)o1	183072115	QWAAHIYVROTJSA-UHFFFAOYSA-N	314.219	1.786	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCCO2)C1=CCCCC1	125947866	JJQGDJMTCRFNBW-UHFFFAOYSA-N	302.330	1.719	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc(-n2ccnn2)c1	183265542	OIRGYFFIZXJYPT-SNVBAGLBSA-N	302.338	1.466	50	20	DDGD	
CN1CC(=O)N(CCCC(=O)NNc2ccccc2Cl)C1=O	120295382	XHXQQFMRJGAQJV-UHFFFAOYSA-N	324.768	1.457	50	20	DDGD	
COC[C@H](C)NC(=O)NNC(=O)c1ccc2ccccc2n1	79116206	SBTCSDMRHLTDLI-JTQLQIEISA-N	302.334	1.214	50	20	DDGD	
O=C(NNc1nnc(C2CC2)s1)c1cccc2c1OCCO2	184532920	INTRPBSJDGZFFT-UHFFFAOYSA-N	318.358	1.944	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)C(C1CC1)C1CC1	122932230	BVBUPTUVQZKRAA-UHFFFAOYSA-N	312.373	1.840	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H](C)C(=O)N(C)CC)cc1	187961321	ZWIQNQSMLLFVPN-LLVKDONJSA-N	320.393	1.060	50	20	DDGD	
CNc1nnc(CC(=O)NNc2cc(F)c(F)c(F)c2)s1	184023543	GBGAOXXNKJUFNC-UHFFFAOYSA-N	317.296	1.683	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCO[C@@H](Cc2ccccc2)C1	182164159	QAKOMCMQLRTBTC-MDJJKAFGSA-N	300.358	1.900	50	20	DDGD	
CN(C)N(C(=O)/C=C/c1cccs1)[C@H]1CCS(=O)(=O)C1	73024660	CHHARXWNSCDEDS-QRGHLMKCSA-N	314.432	1.254	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)c1cccc(F)c1F	133911304	ODMUPLZQTLDBCO-MRVPVSSYSA-N	323.303	1.404	50	20	DDGD	
C[C@@H](Cc1cccc(Cl)c1)C(=O)NNc1nccn(C)c1=O	132525004	WRBCKFBQEUGUKF-JTQLQIEISA-N	320.780	1.756	50	20	DDGD	
CCCC(=O)N1CCC[C@H](C(=O)NNC(=O)CC2CCCC2)C1	195206357	OCRDVPKMJQLRPD-AWEZNQCLSA-N	323.437	1.753	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1ccc(Cl)nc1	80121795	DEKPHAHQLXJOSJ-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
CCOC1CC(CC(=O)NNC(=O)COc2cccc(C)c2)C1	190025855	QDCBYZIVJXVEAU-UHFFFAOYSA-N	320.389	1.726	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(C)o2)cc1	84285623	MKFFHGGWPIEOBZ-UHFFFAOYSA-N	301.302	1.621	50	20	DDGD	
C[C@@H]1CCCN(C(C)(C)CNC(=O)NNC(=O)c2ccc[nH]2)C1	97257245	FNWHPCWOOJNQPW-GFCCVEGCSA-N	321.425	1.469	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2	247139930	XDLUTQFNRKJMPH-IJLUTSLNSA-N	309.410	1.711	50	20	DDGD	
O=C(NN=C1CCCCc2ccccc21)[C@H]1CCS(=O)(=O)C1	254528329	MNMXTBSXZQCVGR-ZDUSSCGKSA-N	320.414	1.668	50	20	DDGD	
C=CC(=O)NCCNC(=O)/C(C#N)=C\c1ccc(OCC)cc1	255295019	UHVVHYWFJAUDKL-KAMYIIQDSA-N	313.357	1.411	50	20	DDGD	
O=C(Cc1cccc(OCC(F)(F)F)c1)NNC(=O)C1CC1	269269935	IQZVDGBZEDIBCV-UHFFFAOYSA-N	316.279	1.728	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNC(=O)NC2CCCC2)ccn1	268488808	UNJGRABIAAVKET-UHFFFAOYSA-N	306.366	1.755	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@H](C)Oc1ccc(F)cc1	266565007	NJMROECSGQKCHD-LLVKDONJSA-N	311.357	1.970	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1C[C@@H](C)[C@@H](C)C1	268883759	ADZVYMJTKJNHHO-OKILXGFUSA-N	303.406	1.273	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)COc2cc(C)cc(C)c2)O1	268259867	DRRDCPRVIAZFEM-DZGCQCFKSA-N	320.389	1.787	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)NC1CCN(C2CC2)CC1	266674722	ORPNHBWYHWOAJS-UHFFFAOYSA-N	309.801	1.988	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(NC(C)=O)c(OC)c1	273452212	CNKHHBYFAKDHFT-VIFPVBQESA-N	322.365	1.852	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)n1C	273249240	OBXASHATGYDAOR-SNVBAGLBSA-N	324.381	1.008	50	20	DDGD	
Cc1nn(C)c(NC(=O)C(=O)NN(C)c2ccccc2)c1C	275690532	MNYPMWJLINATLJ-UHFFFAOYSA-N	301.350	1.143	50	20	DDGD	
COc1ccccc1C1(C(=O)NNc2nccnc2OC)CC1	274038190	FCLPPIQMZICJPO-UHFFFAOYSA-N	314.345	1.669	50	20	DDGD	
O=C(NCC1CCN(C2CC2)CC1)NNc1ccc(Cl)nn1	278219753	RWTWEXHOWUPUDC-UHFFFAOYSA-N	324.816	1.631	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CSCC(C)=O)cc1	278331380	WWIUWSLWYVLVQD-UHFFFAOYSA-N	324.402	1.097	50	20	DDGD	
O=C(CCC1CCNCC1)NNc1nc(-c2cccnc2)no1	270965198	IATMWFHVAKOLHN-UHFFFAOYSA-N	316.365	1.355	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1C[C@H]1c1cccnc1	372756478	DMURPOAZESRQBW-QWHCGFSZSA-N	321.377	1.122	50	20	DDGD	
O=C(CN1CCCCC1=O)NNc1nccnc1C1CCC1	287274600	STPLWVKBEVLAGV-UHFFFAOYSA-N	303.366	1.200	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)[C@H]2CC23CCS(=O)(=O)CC3)c1	288370859	XMIIREKZCFGZFK-CYBMUJFWSA-N	322.430	1.961	50	20	DDGD	
C[C@H]1CCCN([C@H](C)CNC(=O)NNc2cccc(F)n2)C1	286690386	LTFKXVXIOCPMGY-NWDGAFQWSA-N	309.389	1.967	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1ccccc1O)C1CCOCC1	281216038	SZDMUBKEDFZWNQ-UHFFFAOYSA-N	306.362	1.606	50	20	DDGD	
C[C@H]1CC(=O)CC[C@H]1C(=O)NNC(=O)COc1ccc(F)cc1	281369907	WQAZHLNZGFUUKM-IINYFYTJSA-N	322.336	1.357	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2C[C@]2(C)C(C)C)cc1	282628789	FRYUPYCKHYKFMC-CXAGYDPISA-N	317.389	1.763	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)[C@@H]1CCCO1)c1c[nH]c2ccccc12	292240083	WRTTXSBDLNBCLG-NHYWBVRUSA-N	315.373	1.988	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)CCc1ccccc1)C(F)(F)F	808333497	NIRQTLPPWZBPPS-SECBINFHSA-N	303.284	1.900	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(Br)o2)O1	294262915	OSMFJIKXJLDEDX-BQBZGAKWSA-N	317.139	1.371	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)[C@H]2CCCCO2)c1C	295694712	HTDWOIHWBPTDNJ-OAHLLOKOSA-N	320.389	1.789	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1nc2cccnc2s1	801982192	JFUXGBQIQSLQGW-UHFFFAOYSA-N	319.268	1.198	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)c2cc(Cl)ccc2O)O1	800687953	KEPUALFWIGVGGA-RWYTXXIDSA-N	312.753	1.620	50	20	DDGD	
C#CCN1CCC(C(=O)Oc2ccc([N+](=O)[O-])cc2OC)CC1	299627768	GWRQKVFNRNFTTD-UHFFFAOYSA-N	318.329	1.854	50	20	DDGD	
O=C(NCCOCC(F)(F)C(F)F)NNc1ccncn1	297104055	YFAICCCERSUXJP-UHFFFAOYSA-N	311.239	1.020	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1cc([N+](=O)[O-])n[nH]1	803268117	OQIAVIZGQODXJS-UHFFFAOYSA-N	310.201	1.122	50	20	DDGD	
COc1cccc([C@@H](C)CC(=O)NNC(=O)[C@@H]2CCCCO2)c1	295249546	ABSZWVHLRZBURK-WFASDCNBSA-N	320.389	1.905	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H](C(C)C)N1CCCC1=O	299550219	QILYBXHKLSEWGU-OAHLLOKOSA-N	317.389	1.403	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@H]1CC(c2ccccc2)=NO1	299205584	DJNUZFKLYDIWSV-GFCCVEGCSA-N	305.334	1.736	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1ccnc(C(F)(F)F)c1	808378122	YSLSPHWBKLQHQC-UHFFFAOYSA-N	310.235	1.570	50	20	DDGD	
CCc1ccc(C#CC(=O)NNC(=O)c2cccc(C#N)c2)cc1	815399481	YYDGTKAVVYZUJO-UHFFFAOYSA-N	317.348	1.933	50	20	DDGD	
CCc1cccc2c1NC(=O)C2=NNC(=O)N=c1cc[nH]cc1	815000980	WLSGDXQNUMDICN-UHFFFAOYSA-N	309.329	1.544	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@](C)(O)C1CCC1	813365085	DFMDCLVPVHPLDB-QFYYESIMSA-N	324.352	1.292	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2cnc(O)[nH]2)cc1	819985206	GMBSUDVFDNSMJM-KPKJPENVSA-N	312.329	1.737	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=S)NC1CCC1	814192144	RQZLHDRZRIWXEM-UHFFFAOYSA-N	303.391	1.304	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2[nH]nnc2C)cc1C	812721430	SFKYLFMTTIHYPI-UHFFFAOYSA-N	303.322	1.355	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)Cc1cc[nH]n1)CCS2	814955516	KNNXQICJZWJNFF-UHFFFAOYSA-N	316.386	1.977	50	20	DDGD	
COc1nc2sccn2c1C=NNC(=O)N=c1cc[nH]cc1	815001419	JBKZKJAPBUPYOL-UHFFFAOYSA-N	316.346	1.377	50	20	DDGD	
CCC(=NNC(=O)Cc1cc(O)nc(S)n1)c1ccco1	814781259	CHMLVRXOXCADGB-UHFFFAOYSA-N	306.347	1.537	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	813575238	PYNHDEJRXNYPFV-UWVGGRQHSA-N	323.349	1.487	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NN=C1CCC[C@@H](C#N)C1	814851142	GINQJCOJRWAWPH-LLVKDONJSA-N	323.397	1.880	50	20	DDGD	
COCCc1nc(COC(=O)/C(C#N)=C/c2ccccc2)no1	811199044	VQCKPZJXFUHUNQ-UKTHLTGXSA-N	313.313	1.909	50	20	DDGD	
O=C(CCn1cnc2ccccc21)NNc1ncncc1F	817080772	ZYAWOGYAGWDKBO-UHFFFAOYSA-N	300.297	1.499	50	20	DDGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCO[C@H](C(=O)O)C1	819090911	LLHMPGMQJFDVIA-VFJIKVCNSA-N	303.274	1.245	50	20	DDGD	
Cc1nnsc1C=NNC(=O)[C@H](C)Oc1ccccc1F	814214459	COQGJHFCRGGJMZ-VIFPVBQESA-N	308.338	1.903	50	20	DDGD	
O=C(C[C@H]1CCCC(=O)N1)NNc1cc(Cl)nc(Cl)c1	819748251	YYIYDVIIZWNXQK-SSDOTTSWSA-N	317.176	1.890	50	20	DDGD	
CC[C@@H](C)C(=O)NN=C(C)c1cccc(NS(C)(=O)=O)c1	729816781	SKEZUAHGKXNDGJ-SNVBAGLBSA-N	311.407	1.944	50	20	DDGD	
CNC(=O)NNC(=O)c1csc(-c2c(F)cccc2F)n1	726160394	BXGMCELXCBVPFB-UHFFFAOYSA-N	312.301	1.662	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C	496713533	DZZDREZTBAQITR-VXGBXAGGSA-N	315.414	1.241	50	20	DDGD	
O=C(/C=C/[C@H]1CCOC1)NNC(=O)C12CC3CC(CC(C3)C1)C2	493751657	HMJZYXRDNVARFQ-ORCMUQLOSA-N	318.417	1.943	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)OC(C)(C)C)c(Cl)n1	496926970	MTASPWMUVFYFAY-UHFFFAOYSA-N	321.786	1.761	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1ccc(Br)cn1	826819424	CAIXUGKPEYGQLS-CMDGGOBGSA-N	310.151	1.904	50	20	DDGD	
CC(=NNC(=O)CCNC(=O)OC(C)(C)C)c1cscn1	494956428	UCIPXEWPWJCIKN-UHFFFAOYSA-N	312.395	1.898	50	20	DDGD	
Cn1ccc(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)n1	727366614	NNJBIAFPPDDQGQ-UHFFFAOYSA-N	318.402	1.825	50	20	DDGD	
Cc1cc(C(=O)NN(C)[C@H](C)CO)c(C)n1Cc1ccccn1	823977363	VCDJQFXIMALAFD-CYBMUJFWSA-N	316.405	1.506	50	20	DDGD	
CN1CCCC[C@H](C(=O)NC[C@]2(C)C[C@H]2Br)C1=O	824804605	KTCDCPSHMOFHFM-BREBYQMCSA-N	317.227	1.535	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1ccccc1C#N	494625987	WWFLOUNZQITXLQ-UHFFFAOYSA-N	302.334	1.533	50	20	DDGD	
CCOc1ccc(N(CC)CC(=O)NNC(=O)C(C)C)cc1	828194543	ONFMNYWEJCHTQH-UHFFFAOYSA-N	307.394	1.715	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1cccc(C(=O)O)c1	821451592	AAZOLFNAGIGOMP-UHFFFAOYSA-N	303.274	1.122	50	20	DDGD	
C[C@@H](NC(=O)c1ccccc1)C(=O)NN(C)C(=O)OC(C)(C)C	496593695	WMDSYLQNXUIMPA-LLVKDONJSA-N	321.377	1.703	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1cccc(Cl)c1	825517943	CBGKNKDEOIQISN-BXKDBHETSA-N	311.769	1.595	50	20	DDGD	
CCCN1CCC[C@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1	825327935	MTVVALLTZBBUIO-ZDUSSCGKSA-N	315.381	1.184	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=O)COc2ccc(C)cc2)CC1	822202739	NCSGVSAVTPGXJI-UHFFFAOYSA-N	304.346	1.281	50	20	DDGD	
COc1ccc(CCNC(=O)/C(C#N)=C/c2cn(C)nn2)cc1	490664402	QHILMKIEUSDHPV-UKTHLTGXSA-N	311.345	1.090	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CC=CC[C@H]2C(F)(F)F)c(F)c1	585049022	ADCYTHGUAFAXRA-DGCLKSJQSA-N	317.091	1.492	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C\c1ccc(OC)cc1OCC(=O)O	490662476	BHCWGCDBHGVXOG-GHXNOFRVSA-N	316.313	1.368	50	20	DDGD	
COc1ccc(CC(=O)NNC(=S)NC(C)(C)C)cc1O	900001829	XJQPEDNDQKLUQM-UHFFFAOYSA-N	311.407	1.237	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C\c1cc2c(cc1OC)OCO2	491081485	GKJIDAFSIRETRI-OQTVPUDGSA-N	318.329	1.482	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNc1ccc(OC)cc1	496404295	UGIJXLDCWXXXRO-GWCFXTLKSA-N	309.366	1.909	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@@H](c2ccccc2)[C@H]1C	828020459	JNLFWWYPSFVKOJ-UKRRQHHQSA-N	303.406	1.668	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1cc(C(=O)O)[nH]n1	902675614	ASGHYJSEBMIGDS-ZETCQYMHSA-N	304.144	1.856	50	20	DDGD	
O=C(CCc1ccc(C(=O)O)cc1)NNc1nccnc1Cl	739256273	PLVRXRVCKQDEBU-UHFFFAOYSA-N	320.736	1.904	50	20	DDGD	
O=C(NCB(O)O)c1ccccc1-c1ncc(-c2ccccc2)o1	585053694	BRMUDNSQHVRWKB-UHFFFAOYSA-N	322.129	1.750	50	20	DDGD	
O=C(NC[C@H]1CCCNC1=O)NNc1cc(F)c(F)cc1F	838780319	HXYJIDWYNSNBDX-SSDOTTSWSA-N	316.283	1.256	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc2c(cc1OC)CCC(=O)N2	495330258	FFPXYDROCBMCMJ-UHFFFAOYSA-N	322.321	1.363	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNC(=O)COCc2ccccc2)C1	838749558	WRNMMWDJERJICR-OKILXGFUSA-N	321.377	1.101	50	20	DDGD	
CNc1cc(C(=O)NNC(=O)c2ccccc2)cc(Cl)n1	731875261	XZZCSLJGVGFMNC-UHFFFAOYSA-N	304.737	1.852	50	20	DDGD	
CC1(C)C[C@@H](NC(=O)NNc2cccc(C(=O)O)c2)CCO1	833556437	XCMSVWOMGUJZTH-LBPRGKRZSA-N	307.350	1.969	50	20	DDGD	
CN(CC(=O)NNC(=O)Nc1ccc2c(c1)OCO2)C1CCC1	908051446	OOHJSZHRSQJGHC-UHFFFAOYSA-N	320.349	1.052	50	20	DDGD	
Cc1cccc(C=NNC(=O)[C@@H]2CCC(=O)N2)c1Br	901266752	AEUFHWRVSBIOCM-JTQLQIEISA-N	324.178	1.486	50	20	DDGD	
CC(C)Cc1noc(COC(=O)/C(C#N)=C/c2cnn(C)c2)n1	837970083	XSNHMOIHYSLENJ-LFYBBSHMSA-N	315.333	1.652	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=S)Nc1ccccc1F	733948090	PQMXWFWACSTRPT-SECBINFHSA-N	315.370	1.195	50	20	DDGD	
C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NNc1cnccn1	734245209	PRBZCBVDYIZJME-NSHDSACASA-N	309.329	1.435	50	20	DDGD	
Cc1cc([C@@H](C)NCc2ccc(B(O)O)cc2)cc(C)c1F	585030313	YUUZLASDVGSWGF-CYBMUJFWSA-N	301.170	1.973	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)OCCN2CCc3ccccc32)cn1	837971062	LOVNFQOPWGVLNX-YBEGLDIGSA-N	322.368	1.933	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2cccc(Br)c2)cn1	735411099	LEVYWDYZKLGPBZ-UHFFFAOYSA-N	307.151	1.947	50	20	DDGD	
Cc1ccccc1O[C@H](C)CNC(=O)NNc1ccncn1	836329231	SFWYYDXSORLHDO-GFCCVEGCSA-N	301.350	1.879	50	20	DDGD	
Cc1ccc(NCc2ccc(B(O)O)cc2F)c(CN(C)C)c1	585016660	UZIYWIUNWIEVKU-UHFFFAOYSA-N	316.185	1.488	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C[C@@H]2C[C@H]3CC[C@H]2O3)c1O	839567321	JKPGKHOLHXIYBM-HOSYDEDBSA-N	320.345	1.119	50	20	DDGD	
CN(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2cccc(B(O)O)c2)cc1	584909492	DTZWKLFKWDGKIB-SJORKVTESA-N	324.189	1.175	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)N[C@H](C1CCC1)C1CC1	838745466	UPUPFYCGQHKDFF-CQSZACIVSA-N	303.362	1.915	50	20	DDGD	
CC(F)(F)CCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	915685092	SYAZTKVFWASALZ-NSHDSACASA-N	314.288	1.409	50	20	DDGD	
CC[C@@H](C)[C@H](CNC(=O)NNc1ncncc1Cl)OC	836547415	PBORXHSBVJYASZ-SCZZXKLOSA-N	301.778	1.817	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(Cc1ccccc1)CC(F)F	839502603	GXVRXMMJZIIOMN-LLVKDONJSA-N	313.348	1.700	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)N[C@@H]1CC[C@H](C(N)=O)C1	838729927	YYQMJDCZBFTHPU-QWHCGFSZSA-N	304.394	1.838	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cccc([N+](=O)[O-])c1	916363852	ZSRDXBWJIWZRMH-LBPRGKRZSA-N	320.349	1.013	50	20	DDGD	
O=C(CCn1cnc2ccccc21)NNC(=O)NC1CCCC1	744059607	YHODFHWIBDNLJJ-UHFFFAOYSA-N	315.377	1.699	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)C(C)C)cc1[N+](=O)[O-]	918129018	ZHSVXKUJAPYNHX-UHFFFAOYSA-N	310.310	1.090	50	20	DDGD	
CC(C)c1ccccc1C(=O)NNC(=O)CN1CCCC1=O	913733752	UPUZVMVYZARJSW-UHFFFAOYSA-N	303.362	1.193	50	20	DDGD	
COCCn1cc(C=NNC(=O)c2cccc(Cl)c2)cn1	743426810	WCBOVLFDRSJGEX-UHFFFAOYSA-N	306.753	1.947	50	20	DDGD	
CCN1CCCN(C(=O)/C(C#N)=C\c2cnn(C)c2)[C@H](C)C1	910269356	FEPLCWMYMJSNOO-ATDKOCKZSA-N	301.394	1.270	50	20	DDGD	
COc1cc(F)c(/C=C(/C#N)S(=O)(=O)N(C)C)cc1OC	844550264	GXTRSQDTXUGSJX-YHYXMXQVSA-N	314.338	1.599	50	20	DDGD	
O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)C1=COCC1	748611055	DOEKAUCRMLYYHX-UHFFFAOYSA-N	318.301	1.430	50	20	DDGD	
Cc1ccc(C[C@H](C)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	843662511	RJAOMBNOWVBOBM-YDHLFZDLSA-N	304.390	1.746	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)c2nnc(O)c3ccccc23)cc1	916317818	GRFOWVJIZYLKJO-UHFFFAOYSA-N	317.308	1.971	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CC1	843649889	YDFIUTHQKYYXAR-QWHCGFSZSA-N	302.374	1.599	50	20	DDGD	
COc1ccnc(NNC(=O)NCC[C@@H]2C[C@H]3C=C[C@H]2C3)n1	847405098	XJSGDOQMNBDDOB-SDDRHHMPSA-N	303.366	1.714	50	20	DDGD	
C[C@@H]1CCC[C@@H]1CC(=O)NNc1ccccc1S(N)(=O)=O	842262185	RGVNMUIPOMRYGS-GHMZBOCLSA-N	311.407	1.603	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCN1Cc2ccccc2C1	744305291	IRBXXKLVWXGCQI-UHFFFAOYSA-N	304.394	1.379	50	20	DDGD	
CCC(N)(CC)CNC(=O)NNC(=O)COc1ccc(C)cc1	841951690	JDZZUCHMMJHLPP-UHFFFAOYSA-N	322.409	1.222	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1occc1Br	843653678	OBQUOIJTAOMECV-NKWVEPMBSA-N	317.139	1.228	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)CCCCCS(N)(=O)=O)c1	845856790	RUSUAYAHYYQORW-UHFFFAOYSA-N	313.423	1.595	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)[C@H](C)c2ccco2)C[C@@H](C)O1	743291666	QZKBZUFENHCFMX-FRRDWIJNSA-N	323.393	1.030	50	20	DDGD	
CCN1CCC(=NNC(=O)COc2ccccc2C#N)[C@H](C)C1	741458924	ZGLUTOADSYVRON-CYBMUJFWSA-N	314.389	1.771	50	20	DDGD	
COCCN(C)NC(=O)c1cc(N2CCOC2=O)ccc1F	848377171	ACKAQBUVHXEQNH-UHFFFAOYSA-N	311.313	1.005	50	20	DDGD	
C[C@H](c1ccccc1)[C@H](CO)NC(=O)/C(C#N)=C\c1cnn(C)c1	841415441	HDIHSNFUBVAOHT-JQFAORGMSA-N	324.384	1.608	50	20	DDGD	
CCCC[C@H](CN)NC(=O)NNC(=O)Cc1ccc(F)cc1	841960099	ZIDVTJOJAPOYJF-CYBMUJFWSA-N	310.373	1.216	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccnc2ccccc12	740763110	XSBGPNOYERTSHW-UHFFFAOYSA-N	312.373	1.990	50	20	DDGD	
Cc1ncoc1C(=O)NNC(=O)c1cccc(Br)c1	747408944	ICVQYBDKRXYUQH-UHFFFAOYSA-N	324.134	1.820	50	20	DDGD	
O=C(NNS(=O)(=O)c1cccc2c1CCCC2)c1ccc[nH]1	748639455	DRKFXDIUMPKPHT-UHFFFAOYSA-N	319.386	1.517	50	20	DDGD	
C[C@H](CCN)NC(=O)NNc1ccccc1OC(F)(F)F	841966880	HJJFJVANWVYFOV-MRVPVSSYSA-N	306.288	1.949	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1F	843653994	GLIGDTXFZDZEDJ-ZYHUDNBSSA-N	324.352	1.339	50	20	DDGD	
CCC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	843653664	OBHKRUMHUSZPEZ-GXFFZTMASA-N	304.346	1.465	50	20	DDGD	
CC(=O)NNC(=S)NCc1ccc(Br)cc1	747645954	IEMKMYQSWOWJHZ-UHFFFAOYSA-N	302.197	1.464	50	20	DDGD	
CCn1cncc1C=NNC(=O)CSc1nc(C)cc(C)n1	841604655	SYGPVOFHJVXACS-UHFFFAOYSA-N	318.406	1.552	50	20	DDGD	
C[C@H](C(=O)NNC(=O)COCc1ccccc1)c1ccco1	741570262	NAEGCNQWYDIKMD-LBPRGKRZSA-N	302.330	1.747	50	20	DDGD	
C=CCn1cc(C(=O)NNc2ncnc(Cl)c2C(C)C)nn1	843907360	XDYACUNBSMUBBX-UHFFFAOYSA-N	321.772	1.788	50	20	DDGD	
COC(=O)Nc1cccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	843645123	FDANAUBLQDILAD-BXKDBHETSA-N	321.333	1.051	50	20	DDGD	
CCC(=NNC(=O)C(=O)N1CCCC1)c1cc(F)ccc1F	743435789	ABOATDDWLLEBAK-UHFFFAOYSA-N	309.316	1.818	50	20	DDGD	
COc1ccc(CCCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	843648369	QDZOSHZFWIIZQV-SWLSCSKDSA-N	320.389	1.590	50	20	DDGD	
O=C(NCC[C@@]1(O)CCCOC1)NNc1cccc([N+](=O)[O-])c1	845719005	PQJSLBDWGFPOIG-AWEZNQCLSA-N	324.337	1.153	50	20	DDGD	
COCC1CCC(NC(=O)NNc2ccc(OC)cn2)CC1	841591126	UHVBQSHYPGIXLB-UHFFFAOYSA-N	308.382	1.922	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(C2CC2)cnc1Cl	843657765	RUXUNSXAZXBENY-GZMMTYOYSA-N	323.780	1.798	50	20	DDGD	
Cc1ccc([C@H](C)[C@@H](O)C(=O)NNC(=O)C2CCOCC2)cc1	923063228	WUPLYIOFACKJDN-SWLSCSKDSA-N	320.389	1.033	50	20	DDGD	
CCN1CC[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NNC(=O)CC(C)C	751478793	CYMNBWGTIRAFOQ-ZNMIVQPWSA-N	324.469	1.127	50	20	DDGD	
O=C(NN=C[C@H]1CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1	755622222	VZWJFTUSDUMOQF-CHWSQXEVSA-N	306.387	1.253	50	20	DDGD	
CC(C)(C)OC(=O)C1(C(=O)NNC(=O)c2ccncc2)CCC1	854119058	OGYYCTSNVVHDJC-UHFFFAOYSA-N	319.361	1.355	50	20	DDGD	
O=C(C[C@@H](n1cccn1)C(F)(F)F)NNc1ccncn1	854746844	HOYMVOYMBACTAJ-MRVPVSSYSA-N	300.244	1.310	50	20	DDGD	
COC(=O)N(C)CCNC(=O)NC[C@@]1(C)C[C@@H]1Br	856869149	WDYLOOPKYRYDKW-GZMMTYOYSA-N	322.203	1.157	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)Cc2ccc(Cl)cc2)O1	756903346	DHMCTAQEIWUJQH-CHWSQXEVSA-N	310.781	1.988	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](CN1CCCC1)c1ccccc1	854920570	DNKRNGWMHGEGSE-CQSZACIVSA-N	320.462	1.333	50	20	DDGD	
N#CSCCCNC(=O)CN1C(=O)CCc2ccccc21	854362524	QLVRQSBHRPYBIP-UHFFFAOYSA-N	303.387	1.686	50	20	DDGD	
CCON1CCC(CC(=O)NNC(=O)c2ccccc2F)CC1	854180636	OANDTGJKXJVOFM-UHFFFAOYSA-N	323.368	1.640	50	20	DDGD	
C/C(=C\C(=O)NNC(=S)N[C@H](C)C1CC1)c1cnccn1	855094381	ATUXNKMCMYFEDM-TTZKWOQHSA-N	305.407	1.174	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1ccnc(N2CCCC2)n1	757413755	LVJGHAHZRMYXPI-UHFFFAOYSA-N	318.768	1.304	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1cccc2c1OCCO2	759294625	WKRJRUTYCSQKDM-UHFFFAOYSA-N	316.273	1.518	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CCCN(C)C(=O)c1ccncc1	929793973	UKGXLYRWQCTRLF-UHFFFAOYSA-N	320.393	1.127	50	20	DDGD	
O=Cc1cc(C(=O)NNc2nc(-c3cccnc3)no2)cs1	755001328	MHMFZNMTCIJBGZ-UHFFFAOYSA-N	315.314	1.763	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2n[nH]c3c2CCC3)c1C	855628555	ZNOBFWJVBUHVSV-UHFFFAOYSA-N	314.345	1.750	50	20	DDGD	
CC[C@@H](C)n1nc(NC(=O)NNC(=O)c2cccn2C)cc1C	757911384	UESAUYAKAIGZDK-SNVBAGLBSA-N	318.381	1.968	50	20	DDGD	
CCn1nccc1[C@@H]1OCCC[C@H]1C=NNC(=O)[C@H]1CCCO1	853349482	ZJYSPRMEXCDHSO-NWANDNLSSA-N	320.393	1.652	50	20	DDGD	
CN(CC(C)(C)CO)C(=O)NC[C@]1(C)C[C@H]1Br	856959815	XXQWFBGPNBTQPT-SKDRFNHKSA-N	307.232	1.820	50	20	DDGD	
C#CCNC(=S)NNC(=O)CC12CC3CC(CC(C3)C1)C2	758173994	ZLIZWUKMJXRTHD-UHFFFAOYSA-N	305.447	1.721	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2CCCS(=O)(=O)C2)cc1F	853954288	YJQLRPOWJBSOJQ-NSHDSACASA-N	315.370	1.337	50	20	DDGD	
Cn1cc2c(n1)CCC[C@H]2C(=O)NNC(=S)NCC1CCC1	855090422	VVRNWNCFGSBMLQ-LLVKDONJSA-N	321.450	1.135	50	20	DDGD	
C[C@]1(CNC(=O)c2cnn(CCF)c2)C[C@H]1Br	857388961	WTEGMULTCMUOJZ-MWLCHTKSSA-N	304.163	1.756	50	20	DDGD	
COc1cccc(NCC(=O)NN=C2CN(C3CC3)C[C@H]2C)c1	755888941	ZOIQVCNDIOQGBZ-GFCCVEGCSA-N	316.405	1.693	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNC(=S)Nc1cccc(C)c1	758910284	UIFVEHBVALTNGY-SNVBAGLBSA-N	309.391	1.512	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(N(CC)C(C)=O)nc1	855350310	SNNUATVLFLJLNP-ZRDIBKRKSA-N	302.334	1.837	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H](O)[C@@H]2CCCC[C@@H]21)C1CCCC1	868539616	ZIPAXHDETCJLFX-RDBSUJKOSA-N	309.410	1.543	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)OCC(=O)N1CCCC1=O	766747795	SMTFRUFCAZXWEW-SNVBAGLBSA-N	320.183	1.488	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1O)c1ccc(O)c(F)c1	768710321	PIQUTJHGIHEDNC-UHFFFAOYSA-N	324.695	1.965	50	20	DDGD	
Cc1cc(C(=O)NN=c2cc[nH]c(C)c2)n(C2CCOCC2)n1	862515788	CGOZCUOSVNKLDO-UHFFFAOYSA-N	315.377	1.425	50	20	DDGD	
NC(=O)c1csc(C(=O)NNc2nc3ccccc3[nH]2)c1	768504546	LHBQZRDMCAFHMT-UHFFFAOYSA-N	301.331	1.480	50	20	DDGD	
COC[C@H](NS(=O)(=O)CC(C)(C)CCl)[C@@H]1CCCO1	867207756	VIIFXJIBTNHWJS-QWRGUYRKSA-N	313.847	1.365	50	20	DDGD	
C[C@H](NNC(=O)C(=O)c1cnn(C(C)(C)C)c1)C(F)(F)F	862309613	NPHIOTINFHUSOK-ZETCQYMHSA-N	306.288	1.392	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2cc(Cl)cc(Cl)c2O)N1	863147094	YFWJXTKYJFKWCK-SECBINFHSA-N	316.144	1.428	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C1CCC[C@@H](C(F)(F)F)C1	863186537	ASNQGBIELKESEJ-SSDOTTSWSA-N	300.302	1.256	50	20	DDGD	
CC(C)n1cnnc1CN(C)S(=O)(=O)CC(C)(C)CCl	867301003	PHUBEEDKRQBDKS-UHFFFAOYSA-N	322.862	1.886	50	20	DDGD	
CCC(=NNC(=O)Cc1cc(C)[nH]n1)c1ccc(C(=O)O)cc1	760238787	CTIMKDBUHOZYNO-UHFFFAOYSA-N	314.345	1.889	50	20	DDGD	
COc1ccc2c(c1NC(=O)NNC(=O)c1cn[nH]c1)CCC2	861013032	BAOYMSLXJOLSLJ-UHFFFAOYSA-N	315.333	1.374	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)c2ccncc2)ccc1Cl	769532633	QDWSBYXDPQPZBP-UHFFFAOYSA-N	300.705	1.681	50	20	DDGD	
C[C@H]1CCC[C@H](C=NNC(=O)Cc2cc(O)nc(S)n2)C1	768353879	BCULUPNMFSRJJM-UWVGGRQHSA-N	308.407	1.942	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)oc2c(C)cccc12	862452397	KIDSCPTWCOJQNV-LLVKDONJSA-N	315.329	1.089	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNC(=S)Nc1cccc(C)c1C	864451697	ITHLCUZXJYHNNX-GFCCVEGCSA-N	322.434	1.536	50	20	DDGD	
CCCC(=NNC(=O)[C@@H]1CCC(=O)N1)c1cccc([N+](=O)[O-])c1	863145175	GJKIPPCSKBHZRS-ZDUSSCGKSA-N	318.333	1.494	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C(C)(C)NC(=O)OC(C)(C)C	1115905545	YSFRFMPMUCRPQQ-UHFFFAOYSA-N	318.443	1.193	50	20	DDGD	
C[C@@H](NNC(=O)c1c(Br)cnn1C)C(F)(F)F	862323975	YNKIPRAKNZQEAO-SCSAIBSYSA-N	315.093	1.368	50	20	DDGD	
Cc1cc(CNC(=O)NNc2ccccc2S(C)(=O)=O)on1	765728015	KTBADOYCVYJJSV-UHFFFAOYSA-N	324.362	1.213	50	20	DDGD	
CC[C@@](C)(CNC(=O)NNC(=O)c1ccc(OC)cc1)OC	1117862949	BZSAEBFVAPTFHS-HNNXBMFYSA-N	309.366	1.454	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](NC(C)=O)C(C)C)c([N+](=O)[O-])c1	768329073	NLFYSECWTVVWOO-CYBMUJFWSA-N	324.337	1.207	50	20	DDGD	
CCNC(=O)NNS(=O)(=O)/C=C/c1cccc(Cl)c1	768882438	GZPDNDKAWIIKDF-VOTSOKGWSA-N	303.771	1.464	50	20	DDGD	
CC(C)C(NC(=O)NNc1ccc(-n2cccn2)nn1)C(C)C	770414597	JKYMIJZXPQZSCS-UHFFFAOYSA-N	317.397	1.969	50	20	DDGD	
C[C@@]1(CNC(=O)c2csc(CCN)n2)C[C@@H]1Br	1118753704	ADWLFSLISLVGLP-KWQFWETISA-N	318.240	1.548	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1ccc(C)c(C)c1	771889764	DAZLDIJEDYNHCT-GFCCVEGCSA-N	306.362	1.335	50	20	DDGD	
NC(=O)c1ccc(NC(=O)NNc2cccc([N+](=O)[O-])c2)cn1	770069408	KKBKJFGRMJUJEK-UHFFFAOYSA-N	316.277	1.237	50	20	DDGD	
COC(=O)[C@H](C)n1cccc1C=NNC(=O)NC1CCCC1	774585413	CBYFTVFFUIZVOD-NSHDSACASA-N	306.366	1.798	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@]2(F)CCOC2)c(Cl)c1	1117709999	OIXXHTZUGUELFY-CYBMUJFWSA-N	315.732	1.930	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1ccc(F)c(Cl)c1	779823977	XDGBTYNITJYFCY-UHFFFAOYSA-N	301.705	1.675	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1F)c1cnn(C)c1C	778538301	IOSMDMCPTVLFOO-UHFFFAOYSA-N	304.325	1.787	50	20	DDGD	
Cc1cccc(NNC(=O)NC[C@H]2COC3(CCCC3)O2)n1	875453913	AOQIPBKJSPSSAO-LBPRGKRZSA-N	306.366	1.702	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N[C@H](CO)C1CC1)c1ccccc1	778660929	DMDPUVPDQUWGHX-CYBMUJFWSA-N	305.378	1.066	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCc1nnc(C)o1)c1ccccc1	874454723	KSUXSQYRMPSEQE-ZDUSSCGKSA-N	316.361	1.652	50	20	DDGD	
CCOC(=O)N1CCC(C)(C=NNC(=O)c2cccnn2)CC1	1119358145	PNHRUAVBEOPYCL-UHFFFAOYSA-N	319.365	1.451	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)N2CCCC2)cc1)c1cc[nH]n1	872387928	JBDYIRPQMQSJEP-UHFFFAOYSA-N	311.345	1.410	50	20	DDGD	
COc1ccc(CNC(=O)NNc2cncc(Cl)n2)nc1	775084666	LTSBBCMYTPUTGB-UHFFFAOYSA-N	308.729	1.360	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1cnn(C[C@H]2CCCO2)c1	779354432	GVWYGAUYDNYIAZ-GFCCVEGCSA-N	307.354	1.015	50	20	DDGD	
Cc1cncc(NC(=O)C(=O)NNc2cnc3ccccc3n2)c1	773717975	GITQWSSNCDWQSF-UHFFFAOYSA-N	322.328	1.415	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1ccc(C)c([N+](=O)[O-])c1	779821399	USPRWUNGSZJKDN-UHFFFAOYSA-N	308.294	1.099	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccnc(N2CCCCC2)n1	887144549	QWXDOEICBJLWQG-UHFFFAOYSA-N	315.377	1.031	50	20	DDGD	
COC(=O)CCc1csc(NC(=O)NNc2cnccn2)n1	770073017	KRTHLZXKLGQGHI-UHFFFAOYSA-N	322.350	1.187	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@@H](CC)c1ccc(F)cc1F	775449515	JKZMJCUDVIXLMB-RNCFNFMXSA-N	313.348	1.951	50	20	DDGD	
C#Cc1ccc(C(=O)NNc2cccc(S(C)(=O)=O)c2)cn1	776534045	AOFACGSJILXDHV-UHFFFAOYSA-N	315.354	1.223	50	20	DDGD	
CCN1CCC(CCNC(=O)NNc2ccc(C#N)cn2)CC1	888390410	ZDUZEHCGBGMMCT-UHFFFAOYSA-N	316.409	1.701	50	20	DDGD	
CCOC(=O)C1(CNC(=O)NNc2nc(C)cc(C)n2)CC1	770554855	BLBNBPBKNCHTEW-UHFFFAOYSA-N	307.354	1.063	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)CNC(=O)c2cccc(O)c2)c1	779011382	UTWDWFWBMUJZLT-UHFFFAOYSA-N	313.357	1.882	50	20	DDGD	
Cn1cc(NC(=O)NNc2ccnc(Br)c2)cn1	771095535	GHLGSYGYXBEHNU-UHFFFAOYSA-N	311.143	1.726	50	20	DDGD	
CCOc1cccc(CNC(=O)NNC(=O)C2CCOCC2)c1	883108113	VIUQMEHNNMJEIU-UHFFFAOYSA-N	321.377	1.342	50	20	DDGD	
C#CC1CCN(c2nnnn2C[C@@]2(C)C[C@@H]2Br)CC1	1120324956	PUORPGJNQSHUGM-WCQYABFASA-N	324.226	1.696	50	20	DDGD	
CC(C)(C#N)CNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	781953831	NXUNQXYIPPCPFY-UHFFFAOYSA-N	305.294	1.089	50	20	DDGD	
O=C(NCCS(=O)(=O)C(F)(F)F)C1CCC(Cl)CC1	1123830934	GIUBZHZMAOKHRI-UHFFFAOYSA-N	321.748	1.835	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2(SC)CCC2)cc1OC	781846878	OFBZFXGNTXPHPD-UHFFFAOYSA-N	324.402	1.751	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](O)Cc1ccccc1Cl	887146975	SDMOYFICCJVFOD-CYBMUJFWSA-N	308.765	1.194	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C(F)(F)C2(O)CCC2)c1	780796450	ZTBJNNARBYBZHV-UHFFFAOYSA-N	314.288	1.467	50	20	DDGD	
Cc1nn(C)cc1C(=O)NNc1nnc(-c2ccccn2)s1	788565310	OKHUEMIANNAGBQ-UHFFFAOYSA-N	315.362	1.399	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)C(C)(C)O)CN(Cc2ccccc2)C1	785457912	JOOWKBDFMURMGW-CYBMUJFWSA-N	303.406	1.772	50	20	DDGD	
Cc1coc(C)c1C(=O)NNC(=O)Cn1cnc2ccccc21	785686195	HFNKASUUGXTOGE-UHFFFAOYSA-N	312.329	1.707	50	20	DDGD	
C[C@@]1(C#N)CCCN(C(=O)NNC(=O)c2ccc(C#N)cc2)C1	784252417	RWYDYGXOVITJGG-INIZCTEOSA-N	311.345	1.538	50	20	DDGD	
Cn1c(=NNC(=O)[C@]2(C)CCCOC2)sc2ccccc21	781102654	ITOANCOSDIMKLX-OAHLLOKOSA-N	305.403	1.988	50	20	DDGD	
Cc1cc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)sn1	785450570	HUAXAVPAWRQITG-UHFFFAOYSA-N	313.346	1.191	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1ccc(Cl)c(F)c1Cl	788735635	HTRDPQJMJNBRPQ-UHFFFAOYSA-N	315.153	1.852	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NC[C@H]1CCC=CO1	780737987	YBGYJGACPYKSFD-CYBMUJFWSA-N	319.361	1.261	50	20	DDGD	
C[C@@H]1CCN(CCNC(=O)NNC(=O)CCc2ccccc2)C1	897433193	VOISACZOULAATF-CQSZACIVSA-N	318.421	1.291	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H]2CCN2C(C)(C)C)cc1	898272844	KFANWWBMNZZPKP-AWEZNQCLSA-N	319.405	1.718	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1cc2nccnc2cc1F	792643054	MJMBFKUXQJZRQM-UHFFFAOYSA-N	324.279	1.192	50	20	DDGD	
CC(C)Cc1ccc(C(=O)NNc2nccn(C)c2=O)s1	896033283	IRAVYCTWPHVPDQ-UHFFFAOYSA-N	306.391	1.797	50	20	DDGD	
O=C(NNc1c(F)cccc1F)C(=O)Nc1cncc(F)c1	799260012	MGJRDWNMIAFYJB-UHFFFAOYSA-N	310.235	1.581	50	20	DDGD	
CC[C@H]1CCC[C@@H]1NCC(=O)NNC(=O)c1ccc(C)cc1	794575371	GFJLRRZLJOHPCU-ZFWWWQNUSA-N	303.406	1.924	50	20	DDGD	
O=C(NNc1ncccn1)c1cc(=O)c2ccc(F)cc2o1	795044985	BEMDGECOAPIAMV-UHFFFAOYSA-N	300.249	1.479	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccc2n[nH]cc2c1	798315391	HJUZXXFYCJYLBB-UHFFFAOYSA-N	301.228	1.069	50	20	DDGD	
CCc1[nH]nc(C(=O)NN=c2cc[nH]cc2)c1Br	790016272	XGFUSNAWNUMYEK-UHFFFAOYSA-N	310.155	1.308	50	20	DDGD	
CCCNC(=O)[C@H]1CCCN(C(=O)NCCSSC)C1	790879085	NIZFKMVGSKAYAP-NSHDSACASA-N	319.496	1.945	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)c2ccc(Cl)cc2F)cnn1C	794365656	KLTPDBZPHACGCI-UHFFFAOYSA-N	324.743	1.525	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1c(C)noc1C1CC1	793078832	RVRDAGJOZLASFY-UHFFFAOYSA-N	315.420	1.926	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1ccnn1-c1ccccc1	799110612	YETNFMHUIYZMJP-UHFFFAOYSA-N	315.377	1.932	50	20	DDGD	
CC(=NNC(=O)CCNC(=O)OC(C)(C)C)c1ccnc(O)c1	790296729	CMYOZUOBVBQCHW-UHFFFAOYSA-N	322.365	1.542	50	20	DDGD	
Cc1c[nH]cc(C(=O)NNc2ccc(C(C)(C)C)nn2)c1=O	1320807596	GBKAMOSZQJNNRA-UHFFFAOYSA-N	301.350	1.528	50	20	DDGD	
CCNC(=O)NN=Cc1ccc(N2CCN(C)CC2)c(F)c1	1322021404	ZDUIQMGJKVMBHW-UHFFFAOYSA-N	307.373	1.231	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1	1325977587	YYORWGGFXRDCIT-MRTXSQPYSA-N	309.410	1.711	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)c1ccnnc1C	1332293107	WSDKJKICPFIDJZ-UHFFFAOYSA-N	317.374	1.425	50	20	DDGD	
Cn1ccc(NNC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)n1	1331515498	QXADTSMMBNKKJQ-JTQLQIEISA-N	317.324	1.055	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2cc(C)ncn2)cc1	1330287239	YKBSBQYWZCUEIB-UHFFFAOYSA-N	300.318	1.323	50	20	DDGD	
N#Cc1ccc(NC(=O)NNC(=O)c2n[nH]c3c2CCCC3)cc1	1253071111	JZAUTWCWNDTSME-UHFFFAOYSA-N	324.344	1.627	50	20	DDGD	
CC(C)N(C(=O)C(=O)NC[C@]1(C)C[C@H]1Br)C1CC1	1334705054	WDQOGBXKIAFQIA-MFKMUULPSA-N	317.227	1.676	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)NCCCCC#N)C[C@@H]1Br	1347952198	MULCOUMMEMPOQQ-JOYOIKCWSA-N	316.199	1.086	50	20	DDGD	
O=C(CCc1ccoc1)NNC(=O)c1cncn1-c1ccccc1	1340109527	IDGFGJUIQYEAQM-UHFFFAOYSA-N	324.340	1.859	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCCCc2cccc(O)c2)cn1	1347684035	SUOTUZRPWCPCCZ-UHFFFAOYSA-N	316.361	1.300	50	20	DDGD	
CCN(C)C(=O)[C@@H](C)NC(=O)NNc1ccc(C(C)(C)C)nn1	1343496600	NUTMEDBGHGXTFZ-SNVBAGLBSA-N	322.413	1.267	50	20	DDGD	
COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C1CCC(Cl)CC1	1347220228	FSJLMDFBWWIUJC-HCWSGVFWSA-N	303.786	1.309	50	20	DDGD	
O=C1C[C@@H](N(C(=O)c2cccc(CCl)c2)C2CC2)C(=O)N1	1262606647	YMGKCCYXKLXRTD-GFCCVEGCSA-N	306.749	1.445	50	20	DDGD	
CCC(=NNC(=O)c1cccnn1)c1ccc2c(c1)OCCO2	1262037964	RJKGUMYUYKOHCT-UHFFFAOYSA-N	312.329	1.792	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)c(Cl)n1	1350157379	LQUFZOLBURSXQV-JTQLQIEISA-N	312.757	1.765	50	20	DDGD	
Cc1nc(CC2CC2)oc1C(=O)NNc1ccc(C(=O)O)cn1	1600698021	OFVXQPQURBPTIF-UHFFFAOYSA-N	316.317	1.786	50	20	DDGD	
C[C@H]1CC(=O)CC[C@H]1C(=O)NNc1ccc(F)c(C(=O)O)c1	1604646770	FSIKWVNAIZIMSN-GZMMTYOYSA-N	308.309	1.972	50	20	DDGD	
Cc1nc(O)ccc1C(=O)NNc1ccc(F)c(C(=O)O)c1	1607967870	IXIWPHALLKRGPH-UHFFFAOYSA-N	305.265	1.690	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2F)nc1	1606478487	CIXYXUWYUKZNNV-UHFFFAOYSA-N	320.236	1.584	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(F)c(C(=O)O)c1)c1ccn(C)n1	1609768443	ODOJTUYVGNQOLZ-MRVPVSSYSA-N	321.312	1.645	50	20	DDGD	
CC(C)(CCCc1ccccc1)CNC(=O)NNC(=O)C(=O)O	1603598855	UXGVYEMGUSSWFU-UHFFFAOYSA-N	321.377	1.451	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)N[C@H]1CCc2nc[nH]c2C1	1601558672	DKSREYUDBUVDDW-JTQLQIEISA-N	315.333	1.292	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCCS2)cc1C(=O)O	1600455576	SNEYHOVSLKVBQW-NSHDSACASA-N	323.374	1.742	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(C(=O)O)c(F)c2)cc(O)n1	1600095280	OASLFANESXDCJV-UHFFFAOYSA-N	305.265	1.690	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2cccc3c2CNC3)c1	1578427628	XMWSPPBNBWWMAP-UHFFFAOYSA-N	324.384	1.431	50	20	DDGD	
CO[C@H]1CN[C@@H](C(=O)NNc2ccccc2Br)C1	1574002011	XBVXVNPXQMCBSA-LDYMZIIASA-N	314.183	1.269	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ccccc2CCN)n1	1579861031	CVAJKVXGOGSQGU-UHFFFAOYSA-N	305.769	1.697	50	20	DDGD	
CCCNNC(=O)[C@H]1CC(=O)N(CC)[C@H]1c1cccc(C)c1	1577574652	LAWRHQQTMSNRNR-HOCLYGCPSA-N	303.406	1.935	50	20	DDGD	
C=CC[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1	1841353847	UHTOXAMSONCOCW-VXGBXAGGSA-N	314.813	1.002	50	20	DDGD	
O=C(C[C@@H]1CCCC[C@H]1O)NNc1ccc(-c2nn[nH]n2)cc1	1582133421	FJZYIHGJTGZLOK-WCQYABFASA-N	316.365	1.251	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)COCC	1847867061	OLHQRBXJIVDEEP-AGIUHOORSA-N	316.829	1.632	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN1)c1cc(-c2ccc(Cl)cc2)c[nH]1	1580732983	LJWLFLMOXJUEGV-GFCCVEGCSA-N	318.764	1.458	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)/C=C\c1cnccn1	1599377358	VBDXAFKZUJUHET-HYXAFXHYSA-N	314.301	1.340	50	20	DDGD	
COc1cnc(F)c(C(=O)NNc2ccccc2C(=O)O)c1	1599724787	NFICQESLLVRBOR-UHFFFAOYSA-N	305.265	1.684	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)NC2CC2)[nH]c(C)c1C(=O)O	1596042186	NYUFWLBOSOREGX-UHFFFAOYSA-N	308.338	1.080	50	20	DDGD	
CC1(C)CCC[C@](NS(=O)(=O)CCCCl)(C(=O)O)C1	1593899436	KCTNVNLJPRWYHD-GFCCVEGCSA-N	311.831	1.958	50	20	DDGD	
CCc1cc(C(=O)O)ccc1NC(=O)NN=c1cc[nH]cc1	1597465053	PQJYCLGVERFZPC-UHFFFAOYSA-N	300.318	1.913	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1onc2ccccc12	1593165609	TUPNUDLGXDMPOL-UHFFFAOYSA-N	321.300	1.765	50	20	DDGD	
COC(=O)C12CC(C(=O)NNc3ccc(C(=O)O)cc3F)(C1)C2	1598727170	NOFYPLXJBIONJG-UHFFFAOYSA-N	322.292	1.310	50	20	DDGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3cc(C(=O)O)nn3C)nc12	1777476283	SUCHVWJVJIXDJE-UITAMQMPSA-N	308.301	1.762	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)C2CCC2)cc1[N+](=O)[O-]	15562745	UEIWSOKPVAUAQQ-UHFFFAOYSA-N	313.335	1.013	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@@H](C(=O)O)C1	165365162	PCMKKFSWUDYPOS-LLVKDONJSA-N	313.785	1.676	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1cc(-c2ccco2)[nH]n1	153546500	XYVNIYVHDLFNSP-UHFFFAOYSA-N	314.261	1.730	50	20	DDGD	
CN(CCN1CCOCC1)C[C@H](CBr)C1CC1	859119364	YPZSIVCHERTPIL-ZDUSSCGKSA-N	305.260	1.672	50	20	DDGD	
CC[C@](C)(NS(=O)(=O)c1ccc(CCCl)cc1)C(N)=O	312231024	HODFOAKLMILINB-ZDUSSCGKSA-N	318.826	1.400	50	20	DDGD	
CN(C)C1(CNS(=O)(=O)c2ccc(CCl)cc2)CC1	397994941	PZZQMYYWKWXIRJ-UHFFFAOYSA-N	302.827	1.798	50	20	DDGD	
Cc1c(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cnn1C	10415152	ZYGHUZBEEPFBKJ-UHFFFAOYSA-N	311.345	1.214	50	20	DDGD	
CNC(=O)C1(C(=O)NNC(=O)c2ccc3ccccc3c2)CC1	106015936	FZYSLZMJYHEUEB-UHFFFAOYSA-N	311.341	1.127	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2ccccc2F)c(O)c1	55647758	YDAHMOQCQBVACS-UHFFFAOYSA-N	324.333	1.463	50	20	DDGD	
COc1ccc(F)cc1C(=O)NNC(=O)Cn1nc(C)cc1C	23689797	HNVPFFMXAQIQAD-UHFFFAOYSA-N	320.324	1.109	50	20	DDGD	
CN(CCC(F)(F)F)CC(=O)NNC(=O)c1ccccc1	104678400	MEBXFABSZOENRJ-UHFFFAOYSA-N	303.284	1.332	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)c2ccc(C)s2)C[C@H](C)O1	111478692	SDMHRFDNMIHXLS-ONGXEEELSA-N	311.407	1.910	50	20	DDGD	
CN1CCO[C@@H](C(=O)NNc2ccc(Br)cc2)C1	176154683	CKEATTOSTGRGHY-LLVKDONJSA-N	314.183	1.223	50	20	DDGD	
N#CCSc1ccccc1C(=O)NNC(=O)c1ccccn1	29483351	QXTNVGULHVGPJX-UHFFFAOYSA-N	312.354	1.772	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cnc(Cl)cn2)cc1	178155372	ADUBPNGZSZMOBD-UHFFFAOYSA-N	304.737	1.767	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc([N+](=O)[O-])cc2F)n1	174495186	XYSYYLVLVQPIRC-UHFFFAOYSA-N	321.268	1.598	50	20	DDGD	
O=C(CC[C@@H]1CCCCO1)NNC(=O)c1cccc([N+](=O)[O-])c1	110153953	HQAFHOPLBATZPN-ZDUSSCGKSA-N	321.333	1.705	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1cc(Cl)ccc1OC	69904343	APQYSNWBYUNCOR-UHFFFAOYSA-N	313.810	1.572	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1ccc2oc(=O)ccc2c1	67719532	PBTDNAOEMUYOOF-LBPRGKRZSA-N	317.301	1.125	50	20	DDGD	
CC(C)(C)C(=O)NCCC(=O)NNC(=O)Cc1ccccc1F	66775071	HJFAYVHYYNSTEB-UHFFFAOYSA-N	323.368	1.068	50	20	DDGD	
CCSc1cc(C(=O)NNC(=O)NCc2ccco2)ccn1	65148468	BPLZSJWMHWFQCN-UHFFFAOYSA-N	320.374	1.931	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc(Br)cn2)n1	171371245	GPXLDIUFWWAQHP-UHFFFAOYSA-N	324.138	1.400	50	20	DDGD	
CC(=O)NNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccc(Cl)c1	115707748	XZTQDEBCZNELLA-AAEUAGOBSA-N	309.753	1.027	50	20	DDGD	
CC[C@H](OC1CCCC1)C(=O)NNc1nc(C)cc(OC)n1	174471463	KPCMNXIJEKEKDO-LBPRGKRZSA-N	308.382	1.975	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CCCNC(=O)C(C)(C)C)n1	66351651	GWPLEWGLFSLIML-UHFFFAOYSA-N	307.398	1.479	50	20	DDGD	
CC[C@@H]1CN(C(=O)NNC(=O)c2ccccc2OC)CCO1	67482725	QAGAFNQDNMCHAZ-LLVKDONJSA-N	307.350	1.160	50	20	DDGD	
C[C@H]1CCN(C(=O)NNC(=O)c2cccc(C#N)c2)C[C@@H]1C	127053741	HVWCWRBNBVIZDP-RYUDHWBXSA-N	300.362	1.891	50	20	DDGD	
C#CCOCCC(=O)NNC(=O)c1c(Cl)cccc1Cl	129778608	JZFUPUSIZCXLRL-UHFFFAOYSA-N	315.156	1.794	50	20	DDGD	
C[C@@H]1SCCN(CC(=O)NNC(=O)c2ccccc2)[C@@H]1C	182321919	LRXJRKUXOMJDQN-NEPJUHHUSA-N	307.419	1.273	50	20	DDGD	
CO[C@H](C)CCC(=O)NNc1nc2ccccc2c(=O)n1C	183603882	GKHGBRSCYROIDH-SNVBAGLBSA-N	304.350	1.192	50	20	DDGD	
CCc1cccc(C)c1NC(=O)C(=O)NNC(=O)[C@H](C)CC	124793609	IGHGCVGYORZHLR-SNVBAGLBSA-N	305.378	1.689	50	20	DDGD	
COC1(C(=O)NNc2nc3ccccc3c(=O)[nH]2)CCCCC1	185737425	HFUWIFFBJIVBSN-UHFFFAOYSA-N	316.361	1.716	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNC(=O)[C@@H]2CCCO2)cc1	32262209	RKVDWSRLXQKVCK-AWEZNQCLSA-N	304.346	1.284	50	20	DDGD	
Cn1cc(CCC(=O)NNc2ccc(C(F)(F)F)nn2)cn1	124367170	ZHEHWLJJWOZBQL-UHFFFAOYSA-N	314.271	1.305	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccn(-c2ccc(F)cc2F)n1	183973218	NOWRJAISADCKDJ-UHFFFAOYSA-N	310.260	1.541	50	20	DDGD	
O=C(CCN1C(=O)CCc2ccccc21)NNc1ccncc1	180513235	SAIOHHZGVVKPQO-UHFFFAOYSA-N	310.357	1.894	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)Cc2ccncc2)cc1	186380594	GYZRPQZTGNKRQW-UHFFFAOYSA-N	314.345	1.876	50	20	DDGD	
C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)CN(C)C	75653015	JGTIKFIPQKHDRP-GFCCVEGCSA-N	321.421	1.460	50	20	DDGD	
CC1CCN(CCNC(=O)NNC(=O)c2ccccc2O)CC1	46370017	OHHWMKWURKQMNY-UHFFFAOYSA-N	320.393	1.068	50	20	DDGD	
CCN(CC(=O)NNC(=O)CNc1ccc(C)cc1C)C1CC1	130308714	NSWBQDZHESXOEU-UHFFFAOYSA-N	318.421	1.347	50	20	DDGD	
CC[C@@H]1CCC[C@@H](NC(=O)NNC(=O)Cc2ccncc2)C1	83233011	LUYQCVYCSWSSAB-TZMCWYRMSA-N	304.394	1.923	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccccc1C(=O)N1CCCC1	43797850	HPSYDGRWAQKAHL-UHFFFAOYSA-N	306.322	1.315	50	20	DDGD	
O=C(NNC(=O)c1cc(O)ccc1C(F)(F)F)c1ccc[nH]1	195063866	MGDWKEYBJWIYNA-UHFFFAOYSA-N	313.235	1.814	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@@H]1COc2ccccc2C1	47094265	DJBBNQJBMFTTMZ-NSHDSACASA-N	307.350	1.729	50	20	DDGD	
C[S@](=O)c1ccc(CNC(=O)NNC(=O)C(C)(C)C)cc1	80196518	FSJJXXHODXRJAR-OAQYLSRUSA-N	311.407	1.301	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCCCCc1ccc(F)cc1	192930711	MWIBRGYHMCLYSY-UHFFFAOYSA-N	310.369	1.847	50	20	DDGD	
Cc1ccc(F)c(OCC(=O)NNc2nc3ccccn3n2)c1	191899950	HVDJPDCVHAYBLW-UHFFFAOYSA-N	315.308	1.699	50	20	DDGD	
O=C(NNc1ccc(-n2cccn2)nn1)NC(C1CC1)C1CC1	45437565	UORYOIJBHRGIHJ-UHFFFAOYSA-N	313.365	1.477	50	20	DDGD	
COCCNC(=O)NNC(=O)Cc1ccc2ccccc2c1	42842475	XRILYXITCDYAEP-UHFFFAOYSA-N	301.346	1.359	50	20	DDGD	
CC(C)c1cnc(NC(=O)C(=O)NNC(=O)C(C)(C)C)s1	190686039	XPQMPLGVMHWACI-UHFFFAOYSA-N	312.395	1.399	50	20	DDGD	
CC(=O)NNC(=O)c1cnc2c(cnn2Cc2ccccc2)c1	193210926	YRKXZPORLOEIHO-UHFFFAOYSA-N	309.329	1.261	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)C2(O)CCCCC2)c1	86532251	ZMVQCRCYRJEIIH-UHFFFAOYSA-N	305.378	1.209	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)Cc1cccc(F)c1F	88241619	ZBLSRLMFNVSZHO-UHFFFAOYSA-N	301.362	1.801	50	20	DDGD	
COc1ccc2[nH]cc(CC(=O)NNC(=O)c3ccncc3)c2c1	193124201	QIFLREIGTFKGDA-UHFFFAOYSA-N	324.340	1.575	50	20	DDGD	
COc1ccc(OC)c(CC(=O)NNC(=O)c2cccn2C)c1	96950530	YIAPGQLMZPIACM-UHFFFAOYSA-N	317.345	1.046	50	20	DDGD	
C[C@H](Oc1cccc(F)c1)C(=O)NNC(=O)c1cccn1C	97166397	HFOXVPAPRBESTP-JTQLQIEISA-N	305.309	1.393	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)[C@H](C)C1	246774374	AYZGJPQGXUXKPH-NMKXLXIOSA-N	317.455	1.192	50	20	DDGD	
Cc1ccc(C=NNC(=O)C(=O)NN=Cc2ccc(C)o2)o1	254488155	GARMHMLTLZCELP-UHFFFAOYSA-N	302.290	1.090	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCCN(C(=O)OC(C)(C)C)CC1	269482550	PGICXMODZQEMKZ-OUKQBFOZSA-N	323.393	1.900	50	20	DDGD	
COc1ccc(Cl)cc1C(=O)NNC(=O)[C@@H]1CCCCO1	269347076	IRYFNBVMAOHTHP-LBPRGKRZSA-N	312.753	1.679	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)O1	268251199	BUKQBIJRETXAAJ-GYSYKLTISA-N	324.352	1.698	50	20	DDGD	
CC1(CNC(=O)NNC(=O)C2CCC2)Cc2ccccc2C1	271328520	ZILUTUZZYOKCKJ-UHFFFAOYSA-N	301.390	1.922	50	20	DDGD	
CCOc1ccccc1C(=O)NNC(=O)C(C)(OCC)OCC	276502818	CMBOIMQYVHMYOV-UHFFFAOYSA-N	324.377	1.636	50	20	DDGD	
C=C(C)[C@@H](CC(=O)NNC(=O)Cc1ccc(F)cc1)OCC	270156313	XKLHFMSBTUHHJJ-CQSZACIVSA-N	308.353	1.887	50	20	DDGD	
CC1(C(=O)NNc2ccc(S(=O)(=O)C(F)F)cc2)COC1	273061592	LJTCFRKRFZAJDX-UHFFFAOYSA-N	320.317	1.163	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1c(OC)cccc1OC	274768419	UANMSRGVHVHDJT-VIFPVBQESA-N	316.379	1.059	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1nc2cc(Cl)ccn2n1	289605027	CTNPQODQXQUWRQ-UHFFFAOYSA-N	308.729	1.336	50	20	DDGD	
O=C(CC1OCCCO1)NNC(=O)Nc1cccc(Cl)c1	283766321	OFGOOPVRVGINBI-UHFFFAOYSA-N	313.741	1.646	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C	288962648	QADYOXDSJMUICJ-UHFFFAOYSA-N	317.323	1.103	50	20	DDGD	
CO[C@@H](C)C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	283685570	ICZKTORWIFQOGJ-ZETCQYMHSA-N	303.265	1.476	50	20	DDGD	
COCCN(C)NC(=O)c1cc(C)n(-c2ccccn2)c1C	288340248	FQRUXGVZXKPWSI-UHFFFAOYSA-N	302.378	1.712	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(CN(CC)CC)cc1	281254228	OMKXFPGQJUKGGJ-UHFFFAOYSA-N	320.462	1.823	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@H]1CCSc2ccccc21	291600006	GYVDQLNYUOAZQX-RYUDHWBXSA-N	321.402	1.733	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CC1(Cl)Cl	808045130	CUZKEUUETASQFD-ZETCQYMHSA-N	313.181	1.117	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CC2CC2)nnn1CC1CCCC1	294166293	NKPWXKQEZPWQEZ-UHFFFAOYSA-N	305.382	1.338	50	20	DDGD	
O=C(NCCc1ccc2c[nH]nc2c1)NNC(=O)c1ccc[nH]1	807244126	SEABRCVYTHWLLO-UHFFFAOYSA-N	312.333	1.078	50	20	DDGD	
C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(C/C=C/C#N)C1=O	298326456	NMOIEDAVVHOSIA-WOMSROEHSA-N	313.313	1.348	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N2CC[C@H](n3cccn3)C2)cc1	291889572	QQAYHELIUPPIAK-AWEZNQCLSA-N	324.344	1.056	50	20	DDGD	
Cc1cc(C)nc(C(=O)NNC(=S)Nc2ccccn2)c1	801164767	APOZWVJMIAPTEI-UHFFFAOYSA-N	301.375	1.725	50	20	DDGD	
CN(NC(=O)c1ccnc(-n2cccn2)c1)C(=O)OC(C)(C)C	297803214	WFAXARNFADBRPV-UHFFFAOYSA-N	317.349	1.779	50	20	DDGD	
COc1nccc(NC(=O)NNC(=O)Cc2ccc(F)cc2)n1	801725252	KHDZNRHWRKABQJ-UHFFFAOYSA-N	319.296	1.020	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)Cc1c[nH]c2ccccc12)C1CC1	804163322	HHXXMKXTAPQCLD-INIZCTEOSA-N	301.346	1.019	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@H]2CSC[C@H]2C)c1	804867231	LLBNHUZVGIYQFK-YPMHNXCESA-N	323.418	1.456	50	20	DDGD	
NC(=O)Cc1ccc(CNS(=O)(=O)CCCCCl)cc1	809851985	VAINCEDJMOXRKV-UHFFFAOYSA-N	318.826	1.153	50	20	DDGD	
CSc1cccc(NC(=O)NNC(=O)c2cccn2C)n1	806781367	BZYVPWQETPRTMV-UHFFFAOYSA-N	305.363	1.609	50	20	DDGD	
CCOc1ccc(NNC(=O)CCn2ccccc2=O)cc1	817899690	QABZLBDUVMGXLV-UHFFFAOYSA-N	301.346	1.780	50	20	DDGD	
COC(=O)c1ccc(C(=O)OC[C@@H](C)CBr)n1C	815401449	ZIUUZBZENKXOSX-QMMMGPOBSA-N	318.167	2.000	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNc1ccc(-n2ccnc2)nn1	812559093	PNSCXKXCTHYJHF-WDEREUQCSA-N	304.354	1.024	50	20	DDGD	
COC(=O)c1ccc(C(=O)OC[C@H](C)CBr)n1C	815401448	ZIUUZBZENKXOSX-MRVPVSSYSA-N	318.167	2.000	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNc2cnnn2C)cc1	816772218	RDNDVUWILZDPBO-UHFFFAOYSA-N	302.382	1.414	50	20	DDGD	
COc1cc(Cl)cc(C(=O)NNC(=O)c2cnn(C)c2)c1	815646315	GQLPRRXLSOPBKC-UHFFFAOYSA-N	308.725	1.157	50	20	DDGD	
Cc1c(CC(=O)NNc2ccc(C#N)c(Cl)c2)cnn1C	816084158	SGZGMTPWTNNSEA-UHFFFAOYSA-N	303.753	1.939	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CC[C@@H](C(=O)O)[C@H](C)C1	814854498	KVFLFRTWUVXBTF-BXKDBHETSA-N	311.382	1.284	50	20	DDGD	
CCC(=O)Nc1cccc(C(=O)NNc2ncncc2F)c1	817071081	OKRMWQYMMSEMTC-UHFFFAOYSA-N	303.297	1.721	50	20	DDGD	
CN(C)c1noc(CNC(=O)NNc2c(F)cccc2F)n1	812218519	IQVIJXZZFGKKDR-UHFFFAOYSA-N	312.280	1.240	50	20	DDGD	
O=C(CCCn1cnc2ccccc21)NNc1ncncc1F	817083278	FLXBPEYCXFXKHF-UHFFFAOYSA-N	314.324	1.889	50	20	DDGD	
O=C(NNc1ncncc1F)[C@@H]1CCCCN1C1CCCC1	817081670	IOWVEJDJBKAVTG-ZDUSSCGKSA-N	307.373	1.856	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1[nH]cnc1C(=O)c1ccccc1	819110201	VSNIASGNVGNIHF-UHFFFAOYSA-N	312.329	1.202	50	20	DDGD	
COc1cnc(C(=O)NNc2nccnc2C2CCC2)nc1	816664104	VHCNETSXRFHXTB-UHFFFAOYSA-N	300.322	1.300	50	20	DDGD	
Cn1c(N)nc(Cl)c1C=NNC(=O)CCc1ccccc1O	814839996	ALJMZLZRDKIXIB-UHFFFAOYSA-N	321.768	1.444	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)C1CCC(OC[C@H]2CCCO2)CC1	816011028	DXSPTODUYAKRRL-AVVWSFFYSA-N	319.405	1.701	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)Nc1ccc2c(c1)OCO2)C1CCC1	813574659	DOECVYDPKDKOBY-HNNXBMFYSA-N	321.333	1.119	50	20	DDGD	
O=C(NNc1ncncc1F)C(F)(F)c1ccc(F)cc1	817083212	BODZOEWCGZVODE-UHFFFAOYSA-N	300.215	1.990	50	20	DDGD	
CC(=NNC(=O)NCC(F)(F)F)c1cc([N+](=O)[O-])ccc1N	814812464	WZQUMUCFPJDFHN-UHFFFAOYSA-N	319.243	1.763	50	20	DDGD	
CCN(C)[C@@H](C(=O)NNc1ncncc1F)c1ccccc1	817082801	MBWKZXZQZDGHIF-CYBMUJFWSA-N	303.341	1.752	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1cnnn1C	814917609	YRQYMKSKESSUBK-SNVBAGLBSA-N	321.768	1.776	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H]1C[C@H]1c1cc(OC)ccc1OC	823879206	IDQBDILUAQPKLK-GXTWGEPZSA-N	308.378	1.153	50	20	DDGD	
CN1Cc2c(NC(=O)NNC(=O)OC(C)(C)C)cccc2C1=O	495898164	UICXEOHNOXFRHR-UHFFFAOYSA-N	320.349	1.833	50	20	DDGD	
CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)NNC(=O)CC)C12CCCC2	829635338	WAKYPEULULREBE-RWMBFGLXSA-N	311.426	1.260	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)Cc1cc(C(C)(C)C)on1	496900609	HTICFKBDEINNGH-UHFFFAOYSA-N	305.356	1.053	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1	728170133	IFQQOHONSSRWCK-AWEZNQCLSA-N	300.362	1.330	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc2c(s1)CCC2	822201597	NVXOXKYWMKTHBP-MNOVXSKESA-N	306.387	1.589	50	20	DDGD	
COc1cccc(C[C@@H](O)C(=O)NN(C)C(=O)OC(C)(C)C)c1	497026768	PTNUSXZRBFRQRD-CYBMUJFWSA-N	324.377	1.497	50	20	DDGD	
COC(=O)N(C)N=C(C)c1cccc(S(=O)(=O)N(C)C)c1	497035487	GIPFQQKELYMKQC-UHFFFAOYSA-N	313.379	1.359	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=S)NCC2CCC2)cc1	727867057	MTGPGWICPIALCT-UHFFFAOYSA-N	321.402	1.382	50	20	DDGD	
CCN(CCO)NC(=O)c1cccc(C)c1Br	823869644	NPRCVIPCCLJHFS-UHFFFAOYSA-N	301.184	1.717	50	20	DDGD	
CO[C@]1(C)C[C@@H](N(C)C(=O)/C(C#N)=C/c2cnn(C)c2)C1(C)C	490974379	NBSRKEPCJJASRA-PLWBKOIRSA-N	316.405	1.989	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(OCc2cccnc2)cc1	823846224	FZTDCNIRYSVIJM-UHFFFAOYSA-N	315.373	1.620	50	20	DDGD	
CCOC(=O)NNC(=O)c1ncc(C(=O)OCC)cc1Cl	493974086	GVUBCBGEYRVQIF-UHFFFAOYSA-N	315.713	1.303	50	20	DDGD	
O=C(CCC(=O)N1CC[C@H](B(O)O)C1)c1ccc2c(c1)CCC2	585076760	ZBJJCOGZYNIOEV-HNNXBMFYSA-N	315.178	1.214	50	20	DDGD	
CC(C)OC(=O)CC[C@@H](C)NC(=O)/C(C#N)=C/c1cnn(C)c1	491129905	HVTURKXVMXLMSZ-CWZJEYLYSA-N	318.377	1.564	50	20	DDGD	
Cn1c(=O)oc2c(NC(=O)NNC(=O)OC(C)(C)C)cccc21	495404239	SPSBSEYAZSMBPC-UHFFFAOYSA-N	322.321	1.693	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCCS1	826448444	VQGKCWMIOFYRSY-NSHDSACASA-N	304.379	1.596	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc3ccccc3c2)CO1	825674301	DFCFRDXAVLRVAC-ABAIWWIYSA-N	313.357	1.961	50	20	DDGD	
CCOc1ccc([C@@H](C)NCc2ccc(B(O)O)o2)cc1OC	585015279	VULJOVWOMJQWDY-LLVKDONJSA-N	319.166	1.218	50	20	DDGD	
CCN(CCO)NC(=O)c1ccccc1OCc1cscn1	823838851	XGJYVESBSPJAAU-UHFFFAOYSA-N	321.402	1.681	50	20	DDGD	
COC(=O)c1cc(/C=C(/C#N)C(=O)NC2CCCC2)cn1C	490978456	WJAHNUSSVYIQAE-GHXNOFRVSA-N	301.346	1.777	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cc(-n2ccnn2)ccc1F	822250863	APELWZULFCYYRJ-UHFFFAOYSA-N	305.313	1.214	50	20	DDGD	
CN(NC(=O)c1cnc2c(cnn2C)c1)C(=O)OC(C)(C)C	497193083	XUOFIEYGNLUEBK-UHFFFAOYSA-N	305.338	1.480	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H]2CCCCN(C)C2=O)n1	823696062	YSKMFYFDMQLSQW-VIFPVBQESA-N	311.773	1.140	50	20	DDGD	
COC[C@@H](NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)C(=O)O	823339220	SODPLMOYNKCIPW-KIKITERTSA-N	320.183	1.156	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])[C@H](O)c1cccnc1	732272469	HHLNTQYFYYVFEL-GFCCVEGCSA-N	322.708	1.820	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H]1CCN(c2ncccc2F)C1	490815064	YSWUTWUZUYNPME-WEHUKYGOSA-N	304.325	1.360	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=O)NC2CCCC2)C1	900414878	NHUZANNYEGLTKL-SKDRFNHKSA-N	305.382	1.349	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)CNc1ccccc1)c1cnn(C)c1	839477002	AXPPLUJMBMECBL-LBPRGKRZSA-N	315.377	1.173	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2cn(C)nc2C2CC2)n1	901160407	ZIHKJEQVQWHKHN-UHFFFAOYSA-N	303.391	1.755	50	20	DDGD	
CC(C)(C)C#CC(=O)OCC(=O)NNC(=O)c1cccs1	838375291	CVNKLXUCDMXNQX-UHFFFAOYSA-N	308.359	1.102	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCl)c1ccc2c(c1)CCC(=O)N2	830024212	VATHVYUVGILZKL-MRVPVSSYSA-N	302.783	1.748	50	20	DDGD	
O=C(/C=C/c1ccccc1Br)N1CC[C@@H](B(O)O)C1	585076628	YFOYGFSMRHFWMJ-MVIFTORASA-N	323.983	1.538	50	20	DDGD	
C[C@H]1CCC[C@H](C)C1NC(=O)NNC(=O)N=c1cc[nH]cc1	838504211	VWAKIDVZZINTLK-QWRGUYRKSA-N	305.382	1.664	50	20	DDGD	
COc1cc(C(=O)NNc2ncccn2)cc2c1O[C@H](C)C2	913043957	BIUBPCNLVWWJPL-SECBINFHSA-N	300.318	1.566	50	20	DDGD	
Cc1ccccc1-n1cc(C=NNC(=O)[C@@H]2CCCCO2)nn1	834986220	NAGNZJAOZKJLJC-HNNXBMFYSA-N	313.361	1.595	50	20	DDGD	
O=S(=O)(CCl)N1CCC(O)(Cc2ccc(F)cc2)CC1	831135279	GOYHJHUNVUQHAE-UHFFFAOYSA-N	321.801	1.721	50	20	DDGD	
C[C@@H]1CC[C@@H](CNC(=O)NNC(=O)CCc2ccccc2)O1	838744638	KSDKSADLVHWQTB-OCCSQVGLSA-N	305.378	1.517	50	20	DDGD	
CCC[C@H](C)N1C[C@H](C(=O)NNC(=O)C2CCCC2)CC1=O	917662809	DIFXPTNZVCOXQD-WCQYABFASA-N	309.410	1.361	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2SCCS2)c(F)c1	837207390	MOGDYKBNWQSPFU-UHFFFAOYSA-N	316.379	1.862	50	20	DDGD	
CCNC(=O)NN=C(C)c1c(F)cccc1N1CCOCC1	741162890	MFYNSLAEECHHPU-UHFFFAOYSA-N	308.357	1.705	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)CC(F)(F)F)cc1[N+](=O)[O-]	918364179	KOQZLDDNHNLQEN-UHFFFAOYSA-N	320.227	1.350	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC(C)(C)c2cccnc2)o1	840477455	XELHTAVFQWROCO-UHFFFAOYSA-N	316.361	1.905	50	20	DDGD	
Cc1cncc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1	742462249	BTRJIEHUYUDZNN-UHFFFAOYSA-N	300.274	1.373	50	20	DDGD	
COCCCNC(=O)NN=Cc1cn(C)nc1-c1ccc(C)o1	842524232	AXAYSZQCBLOUAO-UHFFFAOYSA-N	319.365	1.658	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccnn1-c1ccccc1	843658292	UHPRBIJHCGJIKI-AAEUAGOBSA-N	314.345	1.058	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1c(O)nc2ccccc2c1C	749356538	DGBISIRSZGWHCN-UHFFFAOYSA-N	316.361	1.993	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2ccncc2)c(OC)c1	747322925	SVZJNKIFALQCKE-UHFFFAOYSA-N	315.329	1.103	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cccn2C)c(C2CCC2)n1	840244365	MFKFKKSWNVIJMM-UHFFFAOYSA-N	301.350	1.101	50	20	DDGD	
CCC[C@@H](C)NC(=O)NNC(=O)Cc1cn2ccccc2n1	746740983	AUXAEIHYMXGCLG-LLVKDONJSA-N	303.366	1.396	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCc1ccc(OC(F)F)cc1	910172757	DVVAUIWHJAGFLE-SNVBAGLBSA-N	302.321	1.564	50	20	DDGD	
CCOc1cc(C=NNC(=O)c2cnccn2)ccc1OC	916663871	UDUHZLNTZWFVOG-UHFFFAOYSA-N	300.318	1.648	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N[C@H]1CCCNCC1)c1ccccc1	841977752	JCGQVWMOJFJIMF-LSDHHAIUSA-N	318.421	1.653	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1ccc2c(c1)CCC(=O)N2C	842559831	CRGWMBRIFMLNCP-RISCZKNCSA-N	315.373	1.471	50	20	DDGD	
O=C(NNC(=O)c1cccc2ccccc12)N[C@H](CO)CCF	846713702	YVUICFFCGJICRO-LBPRGKRZSA-N	319.336	1.504	50	20	DDGD	
CC(C)c1nnc(CCC(=O)NNc2nccnc2Cl)o1	746885198	CTTVXDLFIGZQJU-UHFFFAOYSA-N	310.745	1.712	50	20	DDGD	
O=C(Cc1coc2cc(F)ccc12)NNC(=O)NCC1CC1	748530358	YMHPXSSIBZNGTM-UHFFFAOYSA-N	305.309	1.855	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2cnn(C)c2C)c1	913901041	KSFDYPKLGRZZQD-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)[C@H]1CCCCO1	848320995	FCWKTTWRJZQBQY-MRVPVSSYSA-N	301.144	1.251	50	20	DDGD	
C[C@H]1CC(=NNC(=O)COc2ccc(Cl)cc2)c2ncnn21	841607329	VMROJZDTFZPUFG-VIFPVBQESA-N	319.752	1.796	50	20	DDGD	
CCn1ccc(CNC(=O)NNC(=O)Cc2ccc(F)cc2)n1	840400859	GVIBVEPRFPBYPD-UHFFFAOYSA-N	319.340	1.115	50	20	DDGD	
O=C(Cn1ccccc1=O)NNc1ncccc1C(F)(F)F	740093475	RINSHFHTVWZLNF-UHFFFAOYSA-N	312.251	1.405	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	910161394	YVZDJEAGIGXKRD-DTHBNOIPSA-N	305.216	1.284	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CCCn2ccnc2)cc1	846372336	RXYIYSGTTQBXLF-UHFFFAOYSA-N	316.361	1.522	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccc(N2CCCC2)c(F)c1	841067117	TUGSSPKJRWXVIQ-UHFFFAOYSA-N	323.372	1.318	50	20	DDGD	
CCCC(C)(C)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1	845088406	KPGBZPARKHEVDE-UHFFFAOYSA-N	316.365	1.250	50	20	DDGD	
CCc1c(C(=O)NNc2nccnc2OC)cnn1C(C)(C)C	840571983	NEJWMAWHYRYTOS-UHFFFAOYSA-N	318.381	1.756	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNc2cc(O)nc3ncccc23)CCO1	913991634	ZNWZUEJLEKDWIR-ZJUUUORDSA-N	302.334	1.594	50	20	DDGD	
Cc1ccncc1C(=O)NNC(=O)Cn1cnc2ccccc21	742034752	VFQFWBFIYYHXNI-UHFFFAOYSA-N	309.329	1.201	50	20	DDGD	
CCOC(=O)N1CCC(C(=O)NNc2cccc(C#N)c2)CC1	748044408	MUNMXBZJJPKROG-UHFFFAOYSA-N	316.361	1.870	50	20	DDGD	
C[C@H]1C[C@H]1CNC(=O)NNc1ncc(Br)cn1	847288675	LZUGWXJPQWXFMS-BQBZGAKWSA-N	300.160	1.521	50	20	DDGD	
N#Cc1ccc(NCC(=O)NNC(=O)CC(F)(F)F)cc1	920810164	RCRRUIYWGYVYDU-UHFFFAOYSA-N	300.240	1.070	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](c1ccccc1)C(C)C	742647311	KPSAKMQRNVCEDQ-CQSZACIVSA-N	300.362	1.919	50	20	DDGD	
CCOC(=O)N1CSC[C@@H]1C(=O)NNC(=O)OC(C)(C)C	929190209	VEIGMRGEVGELRP-MRVPVSSYSA-N	319.383	1.074	50	20	DDGD	
Cc1csc(CCCC(=O)NNC(=O)c2cccnn2)n1	921315804	OACSZWBVQJNXEQ-UHFFFAOYSA-N	305.363	1.025	50	20	DDGD	
C[C@@H](C(=O)NNc1ncc(Br)cn1)C(C)(F)F	848322456	CGFZKLLWAKCEFR-YFKPBYRVSA-N	309.114	1.974	50	20	DDGD	
CN(Cc1nccn1C)C(=O)NC[C@@]1(C)C[C@H]1Br	856954761	SYCAFBCGTNQVOD-BXKDBHETSA-N	315.215	1.735	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc(Cl)c(C#N)c2)cn1	754293747	QRYBODKEKFRKQT-UHFFFAOYSA-N	303.709	1.020	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccn3nnnc3c2)C[C@@H]1Br	857406999	BUQZNQQGLZTKNM-KWQFWETISA-N	310.155	1.028	50	20	DDGD	
C[C@@]1(CNC(=O)NC2CCC(N)CC2)C[C@H]1Br	857103189	DLVADPABOWFEMQ-PTFDWCFRSA-N	304.232	1.729	50	20	DDGD	
Cc1nn(C)cc1C=NNC(=O)Cn1c(C)nc2ccccc21	755526489	XYVGSUILISIHME-UHFFFAOYSA-N	310.361	1.537	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC2CC=CC2)cc1OC	759713340	JXYNCWOMGQZVRT-UHFFFAOYSA-N	305.334	1.366	50	20	DDGD	
Cc1nn(C)cc1C1=NO[C@H](C(=O)NNc2ccc(F)cc2)C1	929773583	ZKFPNEWFIWSWFU-AWEZNQCLSA-N	317.324	1.504	50	20	DDGD	
COC(=O)c1cccc(CC(=O)NNC(=S)NC(C)(C)C)c1	759758801	UJKRIQBUWCGDHP-UHFFFAOYSA-N	323.418	1.310	50	20	DDGD	
Cn1nncc1NNC(=O)COc1ccccc1C(F)(F)F	857271681	VMADDTXXVPKXGL-UHFFFAOYSA-N	315.255	1.356	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21	859198887	HXGZJQATCBPIBV-USXIJHARSA-N	307.353	1.357	50	20	DDGD	
COc1ncncc1NC(=O)NNC(=O)c1ccccc1C	757691554	XZRIZIZFMIZPFN-UHFFFAOYSA-N	301.306	1.260	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1cc[nH]n1)c1cccc(Cl)c1	755279481	MZDQDEVYNFFXAY-SECBINFHSA-N	306.753	1.557	50	20	DDGD	
COC(=O)CCC(C)=NNC(=O)c1ccc(OC)c(OC)c1	756870194	HPKSCDARWFTFGE-UHFFFAOYSA-N	308.334	1.763	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1cn[nH]c1)c1c(C)noc1C	858324901	JUUXWDNLNWCSEF-JTQLQIEISA-N	306.326	1.110	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)C(=O)Nc2ccccn2)cc1	758381121	PRKPNSRRZDTRQN-UHFFFAOYSA-N	312.329	1.569	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=Cc1ccc(O)c(O)c1	853409796	PLNOTYGZPVDRKO-UHFFFAOYSA-N	321.377	1.490	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cc(C(=O)NC)ccc1C	929538649	QRPXNFPOSRCLOH-UHFFFAOYSA-N	316.361	1.311	50	20	DDGD	
CC(=O)NNC(=O)c1cccc2c1CCN2C(=O)OC(C)(C)C	929181443	AVWPZDDPUHNRSW-UHFFFAOYSA-N	319.361	1.765	50	20	DDGD	
COCc1nc(C(=O)NNc2cc(Cl)nc(N)n2)cs1	753458258	YDZWAKSZJZBNIA-UHFFFAOYSA-N	314.758	1.072	50	20	DDGD	
O=C(COCC(F)(F)F)NNC(=O)c1cccc(Cl)n1	857325976	NSVKCWFAYSKUQR-UHFFFAOYSA-N	311.647	1.075	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc(O)c(C)c1	854283626	DHEJXGUKKPVNRH-UHFFFAOYSA-N	311.407	1.188	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc([N+](=O)[O-])cc1F)c1ncnn1C	854017423	LMUNYHUMBDUBNK-SSDOTTSWSA-N	323.288	1.250	50	20	DDGD	
C[C@H](C(=O)NC(N)=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	852522245	HOFCANKNBJSIHX-GHMZBOCLSA-N	315.490	1.666	50	20	DDGD	
C[C@]1(CNC(=O)N[C@H](CCO)C2CC2)C[C@@H]1Br	856954483	HSDTXAJAPSEJBB-JFGNBEQYSA-N	305.216	1.620	50	20	DDGD	
CSc1nsc(NC(=O)NNC(=O)c2ccc(C)o2)n1	757589774	RPPHMRTVQMSEHB-UHFFFAOYSA-N	313.364	1.628	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NC[C@]2(C)C[C@H]2Br)CCN1	857104109	QJZWIURRRBGEEX-BFLSOPEQSA-N	304.232	1.600	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1C(=O)NNc1ncncc1Cl	757605955	WNBNSBBULVEGDK-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
Cc1oc(C(C)(C)C)cc1C(=O)NNC(=O)N1CCN(C)CC1	935859619	FTBMSXQLJQEAIQ-UHFFFAOYSA-N	322.409	1.487	50	20	DDGD	
CSc1ccc(NC(=O)C(=O)NNC(C)=O)cc1Cl	763515481	NQPRKIJFSVDMAZ-UHFFFAOYSA-N	301.755	1.168	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ccc([N+](=O)[O-])cc1Cl	863147188	AKZUOMRMYDVMOU-NSHDSACASA-N	324.724	1.367	50	20	DDGD	
CC(C)Cc1ccc(S(=O)(=O)NNC(=O)c2cn[nH]c2)cc1	863414370	UGCGQPDBMJDKOB-UHFFFAOYSA-N	322.390	1.232	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)SCC(=O)OC(C)(C)C	769846465	PGBWWLUZQNOYJP-JTQLQIEISA-N	318.439	1.643	50	20	DDGD	
C#CCC1(C(=O)NNC(=O)Cc2cc(C)[nH]n2)CCCCC1	869016819	RJFZZWWMXBBZHC-UHFFFAOYSA-N	302.378	1.382	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1cc(C(=O)OC)cs1	864362755	KAEUHANJNQRBIT-YRNVUSSQSA-N	322.386	1.984	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cncnc1C1CC1	863101808	ILGSYHYNVJBZEK-UHFFFAOYSA-N	310.226	1.786	50	20	DDGD	
C[C@@H](NNC(=O)c1cc(OC(F)F)n(C)n1)C(F)(F)F	862319267	ZTEXNKWYOVMJHO-SCSAIBSYSA-N	302.203	1.207	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1Cl	862451752	AKLIWKZTMGQHOK-IDVQTMNDSA-N	321.764	1.169	50	20	DDGD	
CC(C)Cc1ncc(C(=O)NNC(=O)N2CCOCC2)s1	931114104	NCLYKMCKJBMHOK-UHFFFAOYSA-N	312.395	1.028	50	20	DDGD	
CN(C)C(=O)NNC(=O)CC(C)(C)CNC(=O)OC(C)(C)C	931118272	DHTSYMRDJIIDPY-UHFFFAOYSA-N	316.402	1.230	50	20	DDGD	
O=C(NNc1ncccn1)N[C@@H]1CC[C@@H]2SCCS[C@@H]21	763058586	GVZRCRLJHYQDRU-KXUCPTDWSA-N	311.436	1.482	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNC(=O)CNc1ccccc1OC	863854259	YKMDLQVROQQYIO-CQSZACIVSA-N	323.393	1.460	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc(-n2cnc3ccccc32)nc1	768278164	FKRXFXBUCVCUEL-UHFFFAOYSA-N	323.356	1.838	50	20	DDGD	
O=C(O)Cn1cc(C=NNC(=O)c2ccc3ccccc3c2)nn1	768484802	WZWLXSITUXZFPS-UHFFFAOYSA-N	323.312	1.280	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NC[C@H]1C[C@H]2C=C[C@H]1C2	1119989354	PGIURPIHSHQYAE-FPMFFAJLSA-N	300.362	1.167	50	20	DDGD	
COC(=O)[C@](C)(O)CNC(=O)CCCC[C@H]1CCSS1	763279149	JJXPSJAOXDLWDI-GXFFZTMASA-N	321.464	1.741	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2ncccc2C(F)(F)F)n[nH]1	765570945	ADPASCLXJNPQIH-UHFFFAOYSA-N	311.267	1.825	50	20	DDGD	
Cc1nnc([C@H](C)NC(=O)NNC(=O)c2ccccc2O)s1	760142447	QAIZQCKLUYQOER-ZETCQYMHSA-N	321.362	1.257	50	20	DDGD	
CCC1CCC(=NNC(=O)CNC(=O)c2cccnc2)CC1	763200238	XZVMPWPHDTZPQU-UHFFFAOYSA-N	302.378	1.884	50	20	DDGD	
CC(=NNC(=O)[C@H](C)Oc1ccccc1F)c1cn(C)cn1	872334119	MKLKOGIARHROKI-NSHDSACASA-N	304.325	1.867	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1ncoc1C1CC1	1117721994	GFLHVNDHGXZPRB-UHFFFAOYSA-N	311.305	1.285	50	20	DDGD	
Cc1nc2ccc(C(=O)NNc3nccn(C)c3=O)cc2s1	762893883	UITACKVPNBDGAK-UHFFFAOYSA-N	315.358	1.455	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc(C=O)c1	772187287	ULDMTEXWZCOXFV-NSHDSACASA-N	320.345	1.238	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)NO[C@@H]1CCCCO1	776215537	ZWDMPXPLFRZDBP-CYBMUJFWSA-N	318.333	1.570	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1ncc(Br)cc1F	777440780	LXGHVMPXVFKCHX-UHFFFAOYSA-N	317.162	1.385	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@@H](CC)CO	873854314	WHUAYPZYKKLBQE-LBPRGKRZSA-N	309.435	1.894	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@]2(C)CCCOC2)c1	874950100	NTOMRTREVBDGEC-INIZCTEOSA-N	317.414	1.802	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNC(=S)Nc1cccc(C)c1	873775958	VNIKCVDGRXBHQD-UHFFFAOYSA-N	323.418	1.902	50	20	DDGD	
CSc1nc(C)c(CCC(=O)NNc2ccccn2)c(O)n1	777475207	RCKAQLBUZLWSMQ-UHFFFAOYSA-N	319.390	1.683	50	20	DDGD	
Cc1cc(C(=O)NNc2nccn(C)c2=O)nn1[C@@H](C)C1CC1	777522916	CPRNDFKNCMBVAQ-JTQLQIEISA-N	316.365	1.013	50	20	DDGD	
COCCOCC(=O)NN=Cc1ncccc1C(F)(F)F	872401036	CYOHHDBCWJQJEP-UHFFFAOYSA-N	305.256	1.214	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1c(C(C)C)nn(C)c1Cl	779821351	UONOWPQNXUQRTE-UHFFFAOYSA-N	315.761	1.003	50	20	DDGD	
CC(C)C(=O)NNC(=O)C1=C(c2ccccc2)SCCO1	873797109	MXUOKXRGAYOSAW-UHFFFAOYSA-N	306.387	1.922	50	20	DDGD	
CN(NC(=O)c1sc(N2CCCC2)nc1Cl)C(N)=O	778415704	NMFAFLQKTIVSBC-UHFFFAOYSA-N	303.775	1.052	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cccc2c(C)ccnc12	777607720	JVFUUZGQRCKPMF-SNVBAGLBSA-N	321.402	1.899	50	20	DDGD	
NC(=O)c1ccc(NC(=O)NNC(=O)c2ccccc2)c(F)c1	775338595	QWNKFCXZFIGVSA-UHFFFAOYSA-N	316.292	1.391	50	20	DDGD	
CC[C@@H](CO)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	779723065	CIWLICKQHBBCMF-JTQLQIEISA-N	310.419	1.797	50	20	DDGD	
COc1ccc(NC(=O)NNc2cc(Cl)nc(N)n2)c(C)n1	776306380	RSYJCANFCOFXIO-UHFFFAOYSA-N	323.744	1.573	50	20	DDGD	
Cc1nc([C@H]2COCCN2C[C@@H](C)CBr)no1	770669392	VOKOKEFFCJAOTA-WCBMZHEXSA-N	304.188	1.782	50	20	DDGD	
COc1ccc(CNC(=S)NNC(=O)[C@H]2CCCCO2)cc1	772219098	FVWKFFWNNDNRFF-CYBMUJFWSA-N	323.418	1.260	50	20	DDGD	
O=S(=O)(CCCCl)N1CCCN(c2nccs2)CC1	881813341	BQEJOTKBNHWPHW-UHFFFAOYSA-N	323.871	1.614	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccnc(Br)c1	887145424	DGHWPISXVQINKT-UHFFFAOYSA-N	310.151	1.409	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)CNC(=O)N1CCCC1	885127951	HQUZJUJBIMBOHT-UHFFFAOYSA-N	310.785	1.897	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccc(N(C)C)c1)c1ccccn1	773716545	OOOMEDYVQPPNTG-GFCCVEGCSA-N	312.373	1.712	50	20	DDGD	
C[C@@H]1C(=O)N(C)CCN1C(=O)[C@H](Br)C(C)(C)C	779275739	HCDLHTSVEIAIDU-BDAKNGLRSA-N	305.216	1.485	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)C[C@H]1CCS(=O)(=O)C1	885124340	SOWWIADEZMZIOQ-SNVBAGLBSA-N	316.810	1.916	50	20	DDGD	
CCn1[nH]c(C)nc1=NC(=O)NC[C@@]1(C)C[C@H]1Br	888547967	XMBCRNCPOGQIIA-LDYMZIIASA-N	316.203	1.323	50	20	DDGD	
CCCN1C[C@H](C(=O)NNc2c(F)cc(F)cc2F)CC1=O	885154154	YKOWQDWATHNSTK-MRVPVSSYSA-N	315.295	1.806	50	20	DDGD	
CC(C)[C@@H](F)C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1	784155379	MBYOSFHZJGSICF-LLVKDONJSA-N	310.354	1.893	50	20	DDGD	
CCOC(=O)C[C@](C)(NS(=O)(=O)CCCCl)C(C)C	882084877	JRNZQKXPEHVKPF-LBPRGKRZSA-N	313.847	1.903	50	20	DDGD	
O=C1CCCC[C@H]1[C@@H]1COCCN1S(=O)(=O)CCCCl	882065658	LFLKIBAXPWUXPQ-RYUDHWBXSA-N	323.842	1.405	50	20	DDGD	
CN(NC(=O)[C@@H]1CCCCN1Cc1cccc(F)c1)C(N)=O	1123775964	LDUMRALRDWSWLJ-ZDUSSCGKSA-N	308.357	1.222	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(Cl)cc1F)N1C(=O)CCC1=O	885109842	GHYOZDYKLUPTRC-ZETCQYMHSA-N	313.716	1.460	50	20	DDGD	
CCOCCC=NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	788428949	XBBCNTWBJNXFJE-UHFFFAOYSA-N	313.379	1.624	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)c(C)c1)[C@H]1CCCO1	783817082	RIKWKEZOMHKQEO-CQSZACIVSA-N	303.362	1.913	50	20	DDGD	
CN(C)c1ccc(CNC(=O)NNC(=O)C2CCOCC2)cc1	883077781	VZICPIZADNCDNH-UHFFFAOYSA-N	320.393	1.010	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2cc3c(s2)CCC3)CCC1	785689904	UEKPUUXEWYGWSG-UHFFFAOYSA-N	308.403	1.815	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)NC(C)(C)C)n2nc(C)cc2n1	899992298	VTTGXSLJVWPAIP-UHFFFAOYSA-N	320.422	1.254	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2cccn3c(O)nnc23)c1	780994622	YDBBRLMMGJIEEN-UHFFFAOYSA-N	317.280	1.340	50	20	DDGD	
CCCOc1ccc2c(c1)C(=NNC(=O)C(C)(C)O)CCO2	785461804	YHXCGTKTZIRVLM-UHFFFAOYSA-N	306.362	1.849	50	20	DDGD	
C#CCOc1cccc(NC(=O)C(=O)NNc2ccccc2)c1	784769610	GTLDUIIBKPJMON-UHFFFAOYSA-N	309.325	1.780	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1C#N)[C@]1(C)CCCO1	782152268	RJSUOSFLSOUZKB-INIZCTEOSA-N	301.346	1.998	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1ccccn1)C1CCC(O)CC1	788262841	ZAJCBWQVGKJDNP-UHFFFAOYSA-N	305.378	1.420	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cnn(C(C)C)c2)cc1	783022350	NUBYOSSISDJHIZ-UHFFFAOYSA-N	317.349	1.554	50	20	DDGD	
C[C@H]1C[C@@H](CCNS(=O)(=O)CBr)CCO1	784417765	MZYNCEHXIQPLQC-IUCAKERBSA-N	300.218	1.463	50	20	DDGD	
CSSCCNC(=O)NCCN1CCOC(C)(C)C1	790771677	VWKBTPATXDMYBG-UHFFFAOYSA-N	307.485	1.408	50	20	DDGD	
C[C@@H]1CCCN1CCNC(=O)NNC(=O)Cc1ccccc1F	897481151	AQYDCUWHZFEMPZ-GFCCVEGCSA-N	322.384	1.183	50	20	DDGD	
N#CC[C@H](CC(=O)NNC(=O)Cc1cccnc1)c1ccccc1	793425836	OFYFQZMGHSNLLH-MRXNPFEDSA-N	322.368	1.859	50	20	DDGD	
Cc1ccc2c(c1)CC[C@@H](C(=O)NNC(=O)c1ccccn1)O2	792764654	VNAOUBDNVZQCDD-HNNXBMFYSA-N	311.341	1.545	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2c[nH]cc2C)cc1C	798307664	BKDKURWOTSRJHU-UHFFFAOYSA-N	314.345	1.340	50	20	DDGD	
O=C(NCc1ccc2c(c1)CCO2)NNc1nc2ccccn2n1	790280965	FHHWXGRMZNILSU-UHFFFAOYSA-N	324.344	1.491	50	20	DDGD	
COC(=O)c1occc1C=NNC(=O)c1ccc2c(c1)OCO2	794747575	DMZOSIMNNZVGFP-UHFFFAOYSA-N	316.269	1.559	50	20	DDGD	
COCc1cc(C=NNC(=O)c2cccc(N(C)C)c2)no1	794871272	GQEYYGSWDBJLSL-UHFFFAOYSA-N	302.334	1.651	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)Cc1c[nH]c2ccccc12)C1CC1	792021140	HHJDXZYCLBBPHF-OAHLLOKOSA-N	301.346	1.283	50	20	DDGD	
O=C(Cc1cccc(C(F)F)c1)NNC(=O)Cc1cc[nH]n1	790663725	WGTOAMHEAZBLDY-UHFFFAOYSA-N	308.288	1.280	50	20	DDGD	
CCn1ncc(NC(=O)NNC(=O)C2CCC2)c1C(F)(F)F	799237744	JHDSKGWKTQTGOO-UHFFFAOYSA-N	319.287	1.875	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@H](c1ccccc1C)C(C)(C)C	1319117352	QTDPEFZNSUMNDH-GFCCVEGCSA-N	321.377	1.586	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2cnc3n2CCC3)nn1	1328559623	BIMVHJPTPHPHIA-UHFFFAOYSA-N	300.366	1.674	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)C2CCNCC2)cccc1[N+](=O)[O-]	1328677043	IYVGDJUCXAPVJW-UHFFFAOYSA-N	321.337	1.056	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)C(=O)Nc1cccc(F)n1	1323378319	JRKAGOVUWQPQEQ-UHFFFAOYSA-N	318.312	1.216	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1nccc(Cl)c1F	1324570355	XJCLRYSDXJHOJM-MRVPVSSYSA-N	301.705	1.204	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H]2CCC[C@H]2OC)cn1	1339129824	GQUDZIBRVHQIMC-GHMZBOCLSA-N	324.406	1.223	50	20	DDGD	
Cc1cccc(CN2CCCC[C@H]2C(=O)NN(C)C[C@H](C)O)c1	1332150750	ZTSGMSLXXHIFRV-RDJZCZTQSA-N	319.449	1.693	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cn3c(n2)CCCC3)cc1	1351065785	PTMJAESPBIIDRS-UHFFFAOYSA-N	314.345	1.303	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NNC(=S)Nc1ccccn1	1352271676	FFHHXYQWNBSNNP-TUAOUCFPSA-N	321.450	1.661	50	20	DDGD	
N#CSCCCNS(=O)(=O)c1cc(C(=O)O)c(Cl)o1	1601080058	ZQTVVWYMYMFJEJ-UHFFFAOYSA-N	324.767	1.514	50	20	DDGD	
O=C(O)[C@@]1(F)CCN(S(=O)(=O)c2ccc(CCl)cc2)C1	1601718819	HJQFXXMJGXSICK-GFCCVEGCSA-N	321.757	1.613	50	20	DDGD	
O=C(/C=C/c1ccc(O)c(O)c1)NNc1cccc(C(=O)O)c1	1601238631	METYTBPPLRLVOW-FNORWQNLSA-N	314.297	1.953	50	20	DDGD	
Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNc1cc(Cl)ccn1	1605452622	LJTNALPGIXLEEQ-UHFFFAOYSA-N	318.728	1.309	50	20	DDGD	
Cc1cnc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1C	1605975944	VROOHXGEHLSKQR-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
COc1cc(C(=O)O)ccc1NC(=O)NNC(=O)c1ccoc1	1607135207	SYUFCQFZBFHGQR-UHFFFAOYSA-N	319.273	1.453	50	20	DDGD	
COCCOC[C@@H]1CCN(CCI)C1	190917420	LLCYFFSGVYTCIJ-SNVBAGLBSA-N	313.179	1.406	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NNc1ccc(C(=O)O)cc1F	1600994181	GUHDGZHATSFPDF-NXEZZACHSA-N	318.308	1.504	50	20	DDGD	
CCOc1nc(C(=O)NNc2ccc(C)c(C(=O)O)c2)co1	1605719779	UUFANFKEZJSOFM-UHFFFAOYSA-N	305.290	1.837	50	20	DDGD	
Cc1ccc(-c2nn[nH]n2)cc1NC(=O)NNC(=O)CC(C)C	1609416272	RQMBNPHJXHBNRG-UHFFFAOYSA-N	317.353	1.374	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1cccc(O)c1	1549312300	BGUFHSNOGCIRJK-UKRRQHHQSA-N	303.362	1.096	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@@H]1C=NNC(=O)c1ncccn1	1552453395	LMQJQVOICIBYNT-NEPJUHHUSA-N	314.349	1.094	50	20	DDGD	
C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](F)Cl)[C@H]1c1cccnc1	1812527938	YOOIRYMCGDUEGG-FPMFFAJLSA-N	323.755	1.255	50	20	DDGD	
C[C@@H]1NCCn2c(C(=O)NNC(=S)NC(C)(C)C)ccc21	1576895083	WGKGHUIBTSLKLS-VIFPVBQESA-N	309.439	1.060	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@]2(C)CCNC2)cc1C	1574156594	MJGOSKFNJFMXAF-HNNXBMFYSA-N	306.435	1.621	50	20	DDGD	
N[C@H]1CCCCCC[C@H]1C(=O)NNC(=O)Cc1ccccc1O	1580181883	DGHAVRGEXDYUNA-KGLIPLIRSA-N	319.405	1.380	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN1)c1ccc(Cl)c(C(F)(F)F)c1	1580732363	BBYQMPRRONXTTD-SECBINFHSA-N	321.686	1.482	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)[C@@H]1[C@H]2CCNC[C@H]21	1580571192	NRFSFMZWARUKRX-LZLYRXPVSA-N	323.396	1.385	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNc1ccc(C(=O)O)cc1F	1598838175	KCLGAVTZLYGXIG-QMMMGPOBSA-N	312.297	1.556	50	20	DDGD	
CCCC[C@@H](NNC(=O)[C@H]1OCC[C@H]1c1ccccc1)C(=O)O	1595640289	DIYZDZFXNFECLY-ZNMIVQPWSA-N	320.389	1.823	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)C1([C@H]2CCCCO2)CCC1	1595261758	JBRDYBHZIVHACF-GFCCVEGCSA-N	319.361	1.962	50	20	DDGD	
COC(=O)[C@H]1CC[C@H](C(=O)NNc2ccccc2C(=O)O)CC1	1598906406	QOOGHSCCDBHPQS-XYPYZODXSA-N	320.345	1.807	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(C(=O)O)cc1N(C)C	1596462760	DTAOXFGNAHXEHR-UHFFFAOYSA-N	323.353	1.149	50	20	DDGD	
CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)CBr)C2	1795757546	IALIJPSIAZZEFK-IXLVHKGHSA-N	317.227	1.676	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cccc(=O)n1C	162187895	QQSWHGVCZBJPQP-UHFFFAOYSA-N	304.258	1.521	50	20	DDGD	
Cc1noc(C)c1C[C@@H](C)NC(=O)NNC(=O)OC(C)(C)C	162350681	PECXLAFGMHHZIA-MRVPVSSYSA-N	312.370	1.961	50	20	DDGD	
CCCc1nccn1CC(=O)NNC(=O)Cc1ccccc1C	158003027	LHGIICZVIRWUFK-UHFFFAOYSA-N	314.389	1.534	50	20	DDGD	
CCNC(=O)NNC(=O)CCCOc1ccc2c(c1)CCC2	165363263	NWMKFVCUGUKLEX-UHFFFAOYSA-N	305.378	1.685	50	20	DDGD	
NC(=O)Nc1cccc(C(=O)NNc2cccc([N+](=O)[O-])c2)c1	151575902	WWJWIXZDYUGXQZ-UHFFFAOYSA-N	315.289	1.842	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2sc(C)nc2CC(C)C)[nH]n1	151187412	KRORKICAHPMZJW-UHFFFAOYSA-N	321.406	1.756	50	20	DDGD	
O=C(CC1CCCCC1)NNC(=O)C(=O)Nc1ccccn1	151737604	AOXKHAJFUOSFMX-UHFFFAOYSA-N	304.350	1.138	50	20	DDGD	
O=C(CCN1CCCC1=O)NNc1nc(C(F)(F)F)cs1	152916792	QMEUXKPBKWRLAB-UHFFFAOYSA-N	322.312	1.618	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CSc2ccccc2Cl)[nH]n1	153118585	VTKOAPZUVVUURF-UHFFFAOYSA-N	324.793	1.925	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2sc(N(C)C)nc2C)o1	155509058	VWNKDHGTBAKXDB-UHFFFAOYSA-N	308.363	1.494	50	20	DDGD	
O=C(CCCc1nc(C2CC2)no1)NNC(=O)CC1CCCC1	155087693	IDWUUWNQLSIPHV-UHFFFAOYSA-N	320.393	1.997	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2ccc(C)n2C)n1	155803752	JLJMCWVOSORTGJ-UHFFFAOYSA-N	302.382	1.727	50	20	DDGD	
C[C@H]1CC(=O)CC[C@H]1C(=O)NNC(=O)Cc1ccccc1F	154290715	DMYKXDSKCFDXDG-GXFFZTMASA-N	306.337	1.521	50	20	DDGD	
O=C(NNC(=O)[C@H]1Cc2ccccc2O1)c1ccccc1F	7957693	FQVCGUPYUPAURJ-CQSZACIVSA-N	300.289	1.590	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NC1CC1)c1ccc2c(c1)OCCO2	58861892	PSBSUJQVSXGZLP-UHFFFAOYSA-N	319.361	1.228	50	20	DDGD	
Cc1csc(CCCNC(=O)NNC(=O)c2ccc[nH]2)n1	102575917	NOQTYCBGGBAOSP-UHFFFAOYSA-N	307.379	1.356	50	20	DDGD	
Cc1nnc(NNC(=O)Cn2cc(C)c3ccccc32)nc1O	51341870	RRFKOXNFPJWFEO-UHFFFAOYSA-N	312.333	1.292	50	20	DDGD	
Cc1ccoc1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	24298249	WEIXQXVFNNJSPA-JTQLQIEISA-N	306.293	1.956	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)COc1ccc2c(c1)CCC2	61527805	OIVWOAOXBXDSMW-UHFFFAOYSA-N	313.357	1.354	50	20	DDGD	
Cc1nccn1CCCCNC(=O)NNC(=O)c1ccccc1	174776391	LBTUKMJAUNEYDB-UHFFFAOYSA-N	315.377	1.616	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)CCC2CCOCC2)c1	173104538	ADSIOWFZSXPOBW-UHFFFAOYSA-N	319.405	1.720	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(OC(F)(F)F)cc1)n1cncn1	178036103	YTTKVPFZYFMAFB-MRVPVSSYSA-N	315.255	1.881	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)NCC2CC2)c1OC	68455913	FDDHEAQUPVBSNA-UHFFFAOYSA-N	321.377	1.377	50	20	DDGD	
O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NNC(=O)NC1CC1	65897893	SCQFTKRJJYIRMI-UHFFFAOYSA-N	317.305	1.042	50	20	DDGD	
C[C@H](Oc1ccccc1C(F)(F)F)C(=O)NNC(=O)N(C)C	171402710	OZANABKAVQLKPE-QMMMGPOBSA-N	319.283	1.775	50	20	DDGD	
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NNC(=O)c1ccccc1F	68635018	OXKDMVPHLSXQEN-NXEZZACHSA-N	324.356	1.073	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)n1	25081121	CSVFLZDIVJAZIY-UHFFFAOYSA-N	323.356	1.280	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCc2ccc(Cl)cc2)cn1	117681916	CWPWMDUWFMXHFL-UHFFFAOYSA-N	306.753	1.467	50	20	DDGD	
CC(C)NC(=O)NNS(=O)(=O)/C=C/c1ccccc1Cl	66584014	KHYCGCXBBWIGPK-BQYQJAHWSA-N	317.798	1.853	50	20	DDGD	
O=C(C[C@H]1CCS(=O)(=O)C1)NNc1cccc(Cl)c1	61196329	AROBDGLUDIHCPW-SECBINFHSA-N	302.783	1.608	50	20	DDGD	
C[C@H](Cc1cccc(F)c1)C(=O)NNc1ncnc2nc[nH]c12	173968011	KZWZMBBLKFWGPF-SECBINFHSA-N	314.324	1.814	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNC(=O)NC2CCCCC2)c1	172936035	WRXUEQPPUQKTQD-UHFFFAOYSA-N	318.377	1.323	50	20	DDGD	
CNc1snc(C)c1C(=O)NNC(=O)Cc1ccc(F)cc1	302896839	IMARIBYQHAQKLN-UHFFFAOYSA-N	322.365	1.636	50	20	DDGD	
C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)c1cnn(C)c1	117678927	JCZFUFCKPAVZRD-VIFPVBQESA-N	322.752	1.302	50	20	DDGD	
CC[C@@H]1CN(C(=O)NNC(=O)CCCc2ccccc2)CCO1	69340712	PCVANUUEHYIZPK-OAHLLOKOSA-N	319.405	1.861	50	20	DDGD	
COc1cccc(NNC(=O)c2cn(-c3ccc(C)cc3)nn2)n1	180665920	FDXGVSMKHPXNLB-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)Cc2ccoc2)cc1	121226790	VLKLMYYXOXEGTF-UHFFFAOYSA-N	302.334	1.741	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(C(=O)NNc2ccnc(F)c2)C1	183962530	IJBUABDPLCBXAT-UHFFFAOYSA-N	310.329	1.531	50	20	DDGD	
CC#CCCCC(=O)NNC(=O)[C@H]1COc2ccccc2O1	184895823	PBCBNJALUHAPCQ-CQSZACIVSA-N	302.330	1.167	50	20	DDGD	
Cn1c(NNC(=O)C(C)(Cl)Cl)nc2ccccc2c1=O	180403638	WMSGICUJYTYIEE-UHFFFAOYSA-N	315.160	1.570	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)C(=O)Nc1ccc(F)cc1	125884087	ZFQZASGUEQCRGI-UHFFFAOYSA-N	307.325	1.492	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)N[C@@H]1CCC[C@H]1CCO	188384553	OSONCBZHDPSKSQ-SMDDNHRTSA-N	323.368	1.250	50	20	DDGD	
CN(C)c1cc(C(=O)NNc2ncccn2)c2ccccc2n1	182703246	FYKPFRFAJBPWJU-UHFFFAOYSA-N	308.345	1.848	50	20	DDGD	
CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)NNc1cncc(Cl)n1	120857823	QRWNJTWQCNJUSN-XROYCOCOSA-N	311.773	1.570	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1cc([N+](=O)[O-])cnc1O	128362101	AXPLHGHCULKQMJ-UHFFFAOYSA-N	309.669	1.501	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)COCc2ccccc2)cc1	78304695	XYTZNXIJJKKNQC-UHFFFAOYSA-N	314.341	1.673	50	20	DDGD	
COC(=O)C[C@@H]1CN(/C(=C/C#N)c2ccc(F)cc2)CCO1	79328570	QMCZQYYKNGMXGP-SMCAMXITSA-N	304.321	1.954	50	20	DDGD	
Cc1nc(C(=O)NNc2nc(-c3ccncc3)no2)ccc1C#N	76453293	WCEHUACRRFCYFJ-UHFFFAOYSA-N	321.300	1.464	50	20	DDGD	
CC(=O)N[C@H](C)C(=O)NNC(=O)Cc1cccc2ccccc12	73315937	MVUWABHYWXJZOV-LLVKDONJSA-N	313.357	1.054	50	20	DDGD	
C[C@@H]1C[C@H](CC(=O)NNC(=O)Cc2cc[nH]n2)CC(C)(C)C1	186153793	TVIANXQDIRQEAW-VXGBXAGGSA-N	306.410	1.952	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1C[C@H]2CCC[C@H]2C1	138341891	AJHDWKJSNMWUGI-IYBDPMFKSA-N	315.417	1.417	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1cccc(OCC(F)F)n1	134144162	FWOZIDQZDHMBRA-UHFFFAOYSA-N	316.308	1.924	50	20	DDGD	
CCCCOCCNC(=O)NNc1ccc(-n2cccn2)nn1	194509276	PAKKPCBGOFUVGD-UHFFFAOYSA-N	319.369	1.105	50	20	DDGD	
Cn1ccnc(NNC(=O)c2cncc(-c3ccccc3)c2)c1=O	136969594	QOKPUFSPXRIVSI-UHFFFAOYSA-N	321.340	1.599	50	20	DDGD	
O=C(CCCn1cncn1)NNc1ncc(Cl)cc1Cl	132630580	GBPTZIQCZGTDFW-UHFFFAOYSA-N	315.164	1.903	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)C(C)(C)Oc1cccc(Cl)c1	190072092	XLIUZFYPJFTVTG-UHFFFAOYSA-N	314.769	1.416	50	20	DDGD	
CCc1c(C(=O)NNC(=O)C2CC2)cnn1-c1ccc(F)cc1	45279512	JQFWXBVRDHKSDK-UHFFFAOYSA-N	316.336	1.745	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)C(=O)NNC(=O)c1ccco1	93176749	XJBOZDSMVONMMZ-UHFFFAOYSA-N	321.720	1.010	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNC(=O)Nc1ccccc1C	92544320	LJSFFGAXGZFGJZ-UHFFFAOYSA-N	301.350	1.757	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccncc1Br	268644403	TYRHQWOJWZGFJD-UHFFFAOYSA-N	300.156	1.651	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNc2nc(-c3ccncc3)no2)O1	268076015	BSNNIEGPARKOEK-QWRGUYRKSA-N	303.322	1.532	50	20	DDGD	
COc1ccc(CNC(=O)NNc2ccc(C)nn2)c(OC)c1	264425177	YCWSCWFHQQUCHD-UHFFFAOYSA-N	317.349	1.629	50	20	DDGD	
CCC(CC)(CNC(=O)NNc1ccc(C)nn1)C(=O)OC	269769769	BXDCCPWZDFFPPF-UHFFFAOYSA-N	309.370	1.391	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(C(=O)OC)c(C)c1	273393826	LKNKFQUQCDQUQH-VIFPVBQESA-N	307.350	1.980	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H](C(=O)NNC(=O)NCc2ccco2)C1(C)C	275435670	DMEQIRGDWKKIHZ-PWSUYJOCSA-N	321.377	1.751	50	20	DDGD	
CC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CC(C)C)cc1	274183916	PHCBHFJZLNSWMV-UHFFFAOYSA-N	305.334	1.021	50	20	DDGD	
O=C(NNc1ncccn1)c1ccc(O[C@H]2CCOC2)cc1	279105319	XZANDTKRCQUEMI-ZDUSSCGKSA-N	300.318	1.401	50	20	DDGD	
N#CC1=CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1	271117197	NHLOYJXMQJVDBR-INIZCTEOSA-N	309.369	1.717	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1nc(-c2cccc(C)c2)[nH]c1C	272669516	KFSZJEUJCBSGAA-UHFFFAOYSA-N	315.377	2.000	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(C)c(C(=O)OC)c1	273470704	JODOIGQDOHIAIW-SECBINFHSA-N	307.350	1.980	50	20	DDGD	
CCCCOc1cc(OC)ccc1C(=O)NNC(=O)CN(C)C	274610502	ZDWOSIBVELUFSQ-UHFFFAOYSA-N	323.393	1.197	50	20	DDGD	
C[C@@H]1C[C@H](CCNC(=O)NNC(=O)c2ccccc2)CCO1	273338356	NGZAPNXROJNCFJ-CHWSQXEVSA-N	305.378	1.836	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C(C)(C)C	278031336	YQNVGZOMTIDWBB-JSGCOSHPSA-N	312.410	1.568	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CCCOC(C)C)cc1	282637813	GIZSJQDIYKKPLH-UHFFFAOYSA-N	321.377	1.286	50	20	DDGD	
COCCN(C)NC(=O)c1cccc(Cn2nc(C)cc2C)c1	288390262	FLSQPIJQPNUJQR-UHFFFAOYSA-N	316.405	1.771	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)c1	282762309	UETHHEOSHYWKAK-HEHGZKQESA-N	320.389	1.643	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Nc1cc2n(n1)CCCC2	287327762	LCJZCDKRXXGLKR-UHFFFAOYSA-N	313.361	1.994	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1O[C@H](C)C[C@@H]1C	282298796	WYVKYJAWFWPTRY-FIXISWKDSA-N	306.362	1.199	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc(OC(=O)NC)c1	296644556	FLWMXDFDBSQQKI-SECBINFHSA-N	308.338	1.604	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@@H](C)CN(C)C)cc(C#N)n1C	293973838	XCAZHRWKMUUSLH-BYQGBLLGSA-N	313.405	1.426	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1cc2n(n1)CCCC2	806719261	BACRUDVZBWPNIY-UHFFFAOYSA-N	305.260	1.325	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NC[C@@H]2C[C@H]2C2CCCCC2)cn1	296995460	SXXSWTUKLDRCBA-JSGCOSHPSA-N	319.409	1.581	50	20	DDGD	
O=C(NCCc1cccc(F)c1F)NNC(=O)[C@@H]1CCCO1	292214035	HQTXZODLAQCPFO-NSHDSACASA-N	313.304	1.017	50	20	DDGD	
CCc1noc(CC)c1CNC(=O)NNc1ncncc1F	293024856	MZUBODRLVNYMGC-UHFFFAOYSA-N	308.317	1.555	50	20	DDGD	
COc1ccccc1OCC(=O)NN(C)C(=O)OC(C)(C)C	297851575	ZOXXSHZWTNAADA-UHFFFAOYSA-N	310.350	1.972	50	20	DDGD	
CC(C)[C@@H](NC1CCOCC1)C(=O)NNc1ncccc1F	807670006	YXHKHAJPGLAJEQ-CYBMUJFWSA-N	310.373	1.457	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccc(C(C)(C)O)cc2)n1	807955090	NKSRYWDUGSKEFL-UHFFFAOYSA-N	314.389	1.878	50	20	DDGD	
CO[C@H](CS(=O)(=O)NNC(=O)C(C)(C)C)c1ccccc1	294923085	CLZWMUSQMJFGTI-GFCCVEGCSA-N	314.407	1.371	50	20	DDGD	
CSC1(C=NNC(=O)c2ccc(-n3cnnn3)cc2)CC1	800807708	CLKZJMNGQUGRGH-UHFFFAOYSA-N	302.363	1.274	50	20	DDGD	
O=S(=O)(CBr)NCCCO[C@H]1CCCCO1	808311524	IMAQFMLMYJEXLV-VIFPVBQESA-N	316.217	1.192	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(CN(C)C)cc2)O1	294048953	YYNSTVJCVGCLFV-FZMZJTMJSA-N	305.378	1.077	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccnc(C2CC2)c1	807368883	KZKFHWZAFVWYOI-UHFFFAOYSA-N	321.377	1.509	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2C[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2)n1	297121699	ZGEPXFDXFBESCZ-XDQVBPFNSA-N	312.373	1.498	50	20	DDGD	
O=C(NCCc1cccc([N+](=O)[O-])c1)NNc1ncccc1F	805236585	YJLOXDKPDGTLKP-UHFFFAOYSA-N	319.296	1.998	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@H](C(=O)NNc2ncncc2F)C1	293996363	LUZDKQUMIGYTDU-JTQLQIEISA-N	323.372	1.344	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H]2CCN(C(=O)CC)C2)cc1	298028398	SDDAJVARBPCWHC-CYBMUJFWSA-N	320.393	1.722	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2ccc(C(F)(F)F)nn2)n1	293539619	OGZLSYYFJKOXIS-UHFFFAOYSA-N	315.259	1.172	50	20	DDGD	
O=C(NNc1ncccc1F)c1cc(N2CCOCC2)ccn1	804216617	LXUPJDRCMZRPRK-UHFFFAOYSA-N	317.324	1.209	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cncc(C(F)(F)F)c1	808385969	ZNVJOZVQZFWXNH-UHFFFAOYSA-N	302.256	1.454	50	20	DDGD	
CCOC(=O)c1cc(C(=O)NNc2ccc(OC)cn2)[nH]c1C	295385615	UKZSCIPSFQDWRT-UHFFFAOYSA-N	318.333	1.660	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNC(=O)Nc1cc(F)cc(F)c1	801999836	LUDZIQCLMQFINP-LBPRGKRZSA-N	312.320	1.602	50	20	DDGD	
Cc1c(C=NNC(=O)N2CCN(C)CC2)n(C)c2ccccc12	814911867	FVYHGFJNMNTREQ-UHFFFAOYSA-N	313.405	1.778	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccc(Cn2cccn2)o1	817081092	PZGFRCCIFNBRCX-UHFFFAOYSA-N	302.269	1.210	50	20	DDGD	
O=C(NNc1ncccn1)[C@H]1CCO[C@H](c2ccccc2)O1	816849393	YAOJCVHCNFIIAT-OCCSQVGLSA-N	300.318	1.424	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	812626882	PVGWBJYZPVOPQY-QJPTWQEYSA-N	316.398	1.030	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNc1cc(Cl)nc(Cl)c1	819740895	ATLKRPSCLHAOHN-ZCFIWIBFSA-N	305.165	1.746	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=C1CCOc2cc(F)ccc21	815002664	LSWAQHDQTGOTCE-UHFFFAOYSA-N	300.293	1.951	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)CCCC2CC2)cc1	812601392	XIXLVUYRXKMDHO-UHFFFAOYSA-N	318.373	1.880	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccnc(NC(=O)C2CC2)c1	817078508	ICLWHSBUOBQKIL-UHFFFAOYSA-N	316.296	1.116	50	20	DDGD	
Cn1c(N)nc(Cl)c1C=NNC(=O)CNc1ccccc1	814711071	BYDHVTVOGMDQSB-UHFFFAOYSA-N	306.757	1.218	50	20	DDGD	
Cc1ccc2nc(C(=O)NNC(=O)c3cc(C)[nH]n3)ccc2c1	815886571	ACCHZFNVRXNIQM-UHFFFAOYSA-N	309.329	1.650	50	20	DDGD	
CSc1nc(C)c(CCC(=O)NNC(=O)CC2CC2)c(O)n1	819140802	PBRWVPVXOWLLLV-UHFFFAOYSA-N	324.406	1.093	50	20	DDGD	
COc1ccc(NNC(=O)Nc2cc(N(C)C)ncn2)nc1	810218314	SAQQJNVKIFTMOA-UHFFFAOYSA-N	303.326	1.095	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1O)C(C)(C)n1cncn1	814951152	PINWYFIUGAOPMC-UHFFFAOYSA-N	317.349	1.290	50	20	DDGD	
Cn1nncc1NNC(=O)CCCCOc1cccc(C#N)c1	816769302	BMGXGWFRGUGHHW-UHFFFAOYSA-N	314.349	1.379	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1c(F)c(F)c(F)c(F)c1F	814956417	WMSKQDCGBSTYRA-UHFFFAOYSA-N	318.205	1.798	50	20	DDGD	
COCCN(C)NC(=O)c1cc(Br)cnc1Cl	816562165	BAJXLCUKERTVQL-UHFFFAOYSA-N	322.590	1.721	50	20	DDGD	
O=C(NNc1ncncc1F)c1cc(Br)c[nH]1	817083109	WUZQDQVLYWAVTA-UHFFFAOYSA-N	300.091	1.463	50	20	DDGD	
CC(=NNC(=O)CCN1CCCCCC1)c1ccc(N)nc1	814757996	DTWMZCAQHOFPHM-UHFFFAOYSA-N	303.410	1.770	50	20	DDGD	
CN(C)c1ccc(C2(C(=O)NNC(=O)c3cccnc3)CC2)cc1	814697406	MZINJDQEQOHIRU-UHFFFAOYSA-N	324.384	1.640	50	20	DDGD	
N#C[C@H]1CC[C@@H](NC(=O)NNC(=O)c2cccc3cccnc23)C1	822897073	XJVBWHOUOOOLBK-WCQYABFASA-N	323.356	1.871	50	20	DDGD	
CC[C@@]1(C(=O)NNc2nc3c(C)cccc3s2)CCNC1=O	828367907	ZDEGYNQWGHXKPN-OAHLLOKOSA-N	318.402	1.964	50	20	DDGD	
CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)/C(C#N)=C/c4cnn(C)c4)[C@@H]1[C@H]3C2	490969752	FOLKYHKGGJHRDZ-LXLJIWQCSA-N	312.373	1.209	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCc1cc(F)ccc1F	729621990	KKBDGVLTFNDKIW-UHFFFAOYSA-N	311.210	1.748	50	20	DDGD	
CCc1cccc2c1N(CC(=O)NNC(=O)C(C)C)CCC2	828300851	TWGHRYPWUDHPIE-UHFFFAOYSA-N	303.406	1.805	50	20	DDGD	
COC(=O)N[C@H](C(=O)OC[C@@H](C)CBr)C(C)C	495387020	BIZNSIJSCZGFMI-IUCAKERBSA-N	310.188	1.941	50	20	DDGD	
O=C(CCCC(=O)C1CC1)NNC(=O)Cc1ccccc1F	823208736	LPOGDNYWJWILLF-UHFFFAOYSA-N	306.337	1.665	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cc(F)ccc1O	826448709	HUAWVWJSWDUUER-UHFFFAOYSA-N	314.280	1.468	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNc1ccc(OC)cn1	496662441	OPYVYDBTSKPGPN-CABZTGNLSA-N	310.354	1.304	50	20	DDGD	
C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CC(C)(c2ccccc2)C1	729639044	RZMQFDSOXBHMFV-ZRKZCGFPSA-N	323.418	1.148	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@@H](CO)C(C)C)cc(C#N)n1C	490944653	XEBBWXYMDFYDTD-JVDKPVQESA-N	314.389	1.493	50	20	DDGD	
CCCn1c(C)cc(C(=O)COc2ccc(B(O)O)cc2)c1C	584909557	MTWUVSMKCJKCJW-UHFFFAOYSA-N	315.178	1.456	50	20	DDGD	
Cc1nnc(CCC(=O)NC[C@@]2(C)C[C@@H]2Br)o1	824805758	XPMLBRCFZYKCFK-GZMMTYOYSA-N	302.172	1.600	50	20	DDGD	
COc1ccccc1/C=C(/C(=O)NCB(O)O)c1ccccc1	585056373	UAJNARDGWDWMSF-RVDMUPIBSA-N	311.146	1.364	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cnn(CC2CCC2)c1	901196152	ZBVLKOZVMQPLPD-GFCCVEGCSA-N	308.382	1.185	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)COc1cccc(C)c1	822194887	YZXGJLJMCSRECW-KGLIPLIRSA-N	304.346	1.112	50	20	DDGD	
OB(O)[C@@H]1CCN(Cc2cc(Cl)ccc2OC(F)F)C1	585077388	UHZASHYCVCXAOD-SECBINFHSA-N	305.517	1.990	50	20	DDGD	
Cc1ncc(NC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)cn1	490636304	ARLOBWZAFNNBGF-YIXHJXPBSA-N	306.329	1.849	50	20	DDGD	
Cc1nc(-c2cccs2)sc1C(=O)N1CC[C@H](B(O)O)C1	585069398	LOTKAJFRGVXYRV-VIFPVBQESA-N	322.220	1.869	50	20	DDGD	
CCN(CCO)NC(=O)COc1ccc(C(F)(F)F)cc1	823846155	CNAQMNXDEAQDJW-UHFFFAOYSA-N	306.284	1.430	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@]1(c2ccccc2)CC1(C)C	826753322	CVRORXJZAZKYGB-KRWDZBQOSA-N	312.373	1.847	50	20	DDGD	
CCn1ccnc1C(=O)NNC(=S)NCCc1cccs1	820171142	GOGDOPAAUQFLFO-UHFFFAOYSA-N	323.447	1.316	50	20	DDGD	
O=[N+]([O-])c1ccc(N2CC[C@H](B(O)O)C2)c(OC(F)F)c1	585079327	YGPHLEBVCBHXAY-ZETCQYMHSA-N	302.042	1.249	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)N[C@@H]2C=CCC2)cc1C	821092556	OIZYYXWSRSQCSL-GFCCVEGCSA-N	316.361	1.291	50	20	DDGD	
COc1cccc(NNC(=O)CN2CSCCSC2)n1	907258889	RLYCQOISSRLUGN-UHFFFAOYSA-N	314.436	1.230	50	20	DDGD	
Cc1cnc([C@H](NC(=O)c2ccc(B(O)O)cc2)C2CC2)s1	584951016	GWUQINWPEXUSFH-CYBMUJFWSA-N	316.191	1.012	50	20	DDGD	
CCOc1ccccc1CCNCc1ccc(B(O)O)cc1F	585023259	FQEZLLLGFPUMDV-UHFFFAOYSA-N	317.169	1.237	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCC(=O)N1CCCC1	490844173	PNZJSPTVSWYOPZ-LCYFTJDESA-N	301.321	1.471	50	20	DDGD	
Cc1cc(C(=O)NN=C2CC(NC(=O)OC(C)(C)C)C2)n[nH]1	495721116	OYIXYVDAPYAKMY-UHFFFAOYSA-N	307.354	1.491	50	20	DDGD	
OB(O)c1ccc(CN[C@H](c2ccccc2)C2CCOCC2)o1	585023114	GIWMBKPRHSJZRF-QGZVFWFLSA-N	315.178	1.217	50	20	DDGD	
CCOC(=O)[C@H](C)N(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	491131498	LIFBZBVGLZQSFG-KWJWQAOWSA-N	302.330	1.709	50	20	DDGD	
COC(=O)[C@H](C)[C@H](NS(=O)(=O)CCl)c1ccccc1	830767638	AZWDBKTVFIHPBS-KOLCDFICSA-N	305.783	1.653	50	20	DDGD	
CON1CCC(=NNC(=O)CSc2ccccc2O)CC1	834982724	JNUXCTWYESWGQX-UHFFFAOYSA-N	309.391	1.614	50	20	DDGD	
CC[C@H](COC)NC(=O)NNc1ccc(C(=O)OC)cc1F	838485248	JMBIOJRSARYJDA-SNVBAGLBSA-N	313.329	1.663	50	20	DDGD	
O=C(CSc1nnc(O)nc1O)NN=C1CCCC12CCC2	834938386	ZVFLRINYDHWDLQ-UHFFFAOYSA-N	323.378	1.201	50	20	DDGD	
C[C@H](CNC(=O)[C@@]1(C)C[C@@H]1Br)CN1CCOCC1	906763379	MAYFTMHSMQTAPP-MDZLAQPJSA-N	319.243	1.244	50	20	DDGD	
C[C@@H](NS(C)(=O)=O)C(=O)NN=C(CC1CC1)c1ccccc1	735971745	UUPGRDCFHLGNAQ-LLVKDONJSA-N	323.418	1.245	50	20	DDGD	
CON1CCC(=NNC(=O)Nc2ccc3c(c2)OCO3)CC1	834983628	RHSDWPTWCDEMFV-UHFFFAOYSA-N	306.322	1.550	50	20	DDGD	
CC(C)n1ccc(CNC(=O)NNc2ncc(F)cc2F)n1	838485750	NLUAFOSCNUPYGQ-UHFFFAOYSA-N	310.308	1.964	50	20	DDGD	
C=C(C)CCNC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	838661640	ZFXQGXRKZDDINA-UHFFFAOYSA-N	318.377	1.539	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N(C)C[C@@H](C)C(=O)O)cc(C#N)n1C	738289391	PRKYWMKGJRWMEB-ASOMJZDJSA-N	314.345	1.291	50	20	DDGD	
C[C@H](Sc1ccccc1C(=O)NNC(=O)C1CCC1)C(=O)O	736719058	XLCJZLGWXHPFPL-VIFPVBQESA-N	322.386	1.813	50	20	DDGD	
O=S(=O)(CCl)N1CCN(CCc2cccs2)CC1	830172471	BDQYQAUULXDQJN-UHFFFAOYSA-N	308.856	1.434	50	20	DDGD	
CCCN(CCN1CCCCC1)[C@H](C)C(=O)NNC(=O)CC	839601524	RONNMTNOMPCOHC-CQSZACIVSA-N	312.458	1.130	50	20	DDGD	
O=C(Cc1ccc(-c2ccccc2)cc1)N1CC[C@@H](B(O)O)C1	585071089	MJHKDVJNFWMXJU-QGZVFWFLSA-N	309.174	1.971	50	20	DDGD	
O=C(c1cnn(-c2ccc(Cl)cc2)c1)N1CC[C@H](B(O)O)C1	585074656	CBAMZGZGDCRTRR-NSHDSACASA-N	319.557	1.215	50	20	DDGD	
CC(C)[C@]1(C)C[C@H]1NC(=O)NNC(=O)COCc1ccccc1	838763844	LTRBSHRIMLNASH-PBHICJAKSA-N	319.405	1.968	50	20	DDGD	
CC(C)CN1C[C@H](C(=O)NNc2nccnc2Cl)CC1=O	734259853	DFAYVPYLCVTJMN-SECBINFHSA-N	311.773	1.078	50	20	DDGD	
NC(=O)N1CCC(=NNC(=O)c2ccc(O)c(Cl)c2)CC1	734093423	GABLSPUOXHLIST-UHFFFAOYSA-N	310.741	1.306	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)Cc2cccc(C3CC3)c2)CC1	839732256	AWYOMQFBETUKIT-UHFFFAOYSA-N	316.405	1.095	50	20	DDGD	
COC(=O)[C@@H](CC(C)(C)C)OC(=O)/C(C#N)=C\c1cnn(C)c1	837972994	ZFVRJXFHOZBRDA-MVXISAMASA-N	319.361	1.848	50	20	DDGD	
CC(=NNC(=O)CSc1ccc(C)cc1)c1cn(C)nn1	834929414	NXVULSFEZPLJNI-UHFFFAOYSA-N	303.391	1.756	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@@H](C)c1ccco1	743294169	SAYCMDMMBMUFQC-NSHDSACASA-N	317.345	1.651	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)C[C@@H]2CCOC2)cc1	740085882	SRHUJGXQAJPXOF-NSHDSACASA-N	323.418	1.830	50	20	DDGD	
CC[C@@H](C(=O)NNc1oc(C(C)C)nc1C#N)N1CCCC1=O	743324113	SNKQOTTXHJGILI-NSHDSACASA-N	319.365	1.514	50	20	DDGD	
CC[C@@H](CC(C)C)C(=O)NNc1ccccc1S(N)(=O)=O	842255420	CLBJXDIMPKNYQC-NSHDSACASA-N	313.423	1.849	50	20	DDGD	
CCc1noc2ncc(C(=O)NNC(=O)CC(F)(F)F)cc12	918400095	RAWNAAGZVXXOGC-UHFFFAOYSA-N	316.239	1.499	50	20	DDGD	
C[C@@H](Oc1cccc(C=NNC(=O)c2ccccn2)c1)C(=O)O	746676314	BCPBBURITHTUFQ-LLVKDONJSA-N	313.313	1.697	50	20	DDGD	
C#CCOc1ccccc1C=NNC(=O)CCN(CC)CC	916355373	RVOBHIQUOGIOQS-UHFFFAOYSA-N	301.390	1.881	50	20	DDGD	
CO[C@@H](C=NNC(=O)COCc1ccccc1)[C@H]1CCOC1	841626928	UYSRLBNMEXKQQO-GJZGRUSLSA-N	306.362	1.357	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C1CCN(Cc2ccccn2)CC1	842556840	PBOBJXPXNRDIRD-BBRMVZONSA-N	316.405	1.575	50	20	DDGD	
O=C(C[C@@H]1OC(=O)c2ccccc21)NNC(=O)CC(F)(F)F	918366318	MKEKMKMNGPGCLO-VIFPVBQESA-N	316.235	1.388	50	20	DDGD	
CCN(CC)CCOC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	912577530	KCALYOSDAIJZQX-OQLLNIDSSA-N	314.389	1.997	50	20	DDGD	
Cc1ccc(C[C@H](C)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	843662508	RJAOMBNOWVBOBM-GZBFAFLISA-N	304.390	1.746	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)c2ccccc21)c1ccccc1	916248918	NQZUKFZTZBXDMJ-UHFFFAOYSA-N	314.366	1.998	50	20	DDGD	
COC/C(C)=C\C(=O)NNC(=O)Cn1ccc2ccccc21	844374653	CLSGNNFVGHRZDC-XFXZXTDPSA-N	301.346	1.381	50	20	DDGD	
CCCCO[C@H]1CC(=NNC(=O)C(=O)N2CCCC2)C1(C)C	747630394	NLQLMCXBKVCDPG-ZDUSSCGKSA-N	309.410	1.696	50	20	DDGD	
O=C(NCc1nc([C@@H]2CCCO2)n[nH]1)NNc1ccccc1	847402556	RKIWRHPMDHYASX-NSHDSACASA-N	302.338	1.483	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)OCC[C@@H](C)O)c1C	849617177	HPXQLEMNEWLTLC-YDRQLGOLSA-N	320.389	1.972	50	20	DDGD	
Cc1noc(C(F)(F)F)c1C(=O)NNC(=O)c1ccncc1	746090762	PQSZCXFGCGXKKO-UHFFFAOYSA-N	314.223	1.472	50	20	DDGD	
CCOCCCN1CCC(=NNC(=O)c2ncccn2)[C@@H](C)C1	841664215	KXFBWZFWJXDEGW-ZDUSSCGKSA-N	319.409	1.331	50	20	DDGD	
O=C(NNc1ccncn1)[C@@H]1CCO[C@H](c2ccccc2)O1	848164020	UMYWOCKXTXRDMB-WFASDCNBSA-N	300.318	1.424	50	20	DDGD	
O=C(NN=Cc1ccc(OCC(F)F)cc1)N1CCOCC1	741810312	PCTDBULBHJFAEA-UHFFFAOYSA-N	313.304	1.706	50	20	DDGD	
Cc1cc(C=NNC(=O)Cc2cc(O)nc(O)n2)ccc1F	743445460	VOLBPFNNDIKQPZ-UHFFFAOYSA-N	304.281	1.028	50	20	DDGD	
CCCCCn1nc(C)cc1NC(=O)NNC(=O)CCCN	841135102	FDSWZGBQRCTENY-UHFFFAOYSA-N	310.402	1.273	50	20	DDGD	
CCn1cncc1C=NNC(=O)COc1ccc(OC)cc1	841606497	GOJRCCOHXHLQRX-UHFFFAOYSA-N	302.334	1.441	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1nc(C(F)(F)F)cs1	740918441	FBBFHDOHIZRLCB-UHFFFAOYSA-N	310.301	1.648	50	20	DDGD	
C[C@H](CS(C)(=O)=O)C(=O)NNc1nccc2sccc12	746885874	KUQFLWQILDSAAG-MRVPVSSYSA-N	313.404	1.420	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1ccccc1F)[C@@H]1CCCNC1	841929600	WOFSLQKAQJQPJS-WCQYABFASA-N	322.384	1.087	50	20	DDGD	
Cc1cc(O)c(C=NNC(=O)[C@H](C)CN2CCOCC2)cc1C	741756401	JEEOFSDMGAMCMQ-CQSZACIVSA-N	319.405	1.427	50	20	DDGD	
CCn1c(O)nc2ccc(C(=O)NNC(=O)CC(C)C)cc21	847316889	MJAVTFPZMSNCKR-UHFFFAOYSA-N	304.350	1.569	50	20	DDGD	
N#Cc1cccc(C=NNC(=O)Cc2cn3ccccc3n2)c1	747636742	QDERLOMKBFZUFX-UHFFFAOYSA-N	303.325	1.899	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@](C)(OC)C2CC2)cc1	846376067	QXOIUGRDNULJLB-MRXNPFEDSA-N	306.362	1.660	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncnc2ccsc12)[C@H]1CCCNC1	841928952	VWMYTKGUNNVLGF-ZJUUUORDSA-N	320.422	1.706	50	20	DDGD	
O=C(C#CC1CC1)NNC(=O)CSc1ccccc1[N+](=O)[O-]	844131278	PXSOIMJYKFHOAS-UHFFFAOYSA-N	319.342	1.248	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cnc(F)c(Cl)c1	929428929	IWINCRCFZRWZMJ-UHFFFAOYSA-N	304.778	1.782	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNc2ccc(Cl)nc2)c(O)n1	743816932	NYVCXGUYUJNDPF-UHFFFAOYSA-N	307.741	1.533	50	20	DDGD	
COCCOc1ccc(C(C)=NNC(=O)[C@H]2CCO[C@@H]2C)cc1	842558145	ROSKPYPTLRXUFC-CJNGLKHVSA-N	320.389	1.977	50	20	DDGD	
NC[C@@H](NC(=O)NNC(=O)Nc1cc(F)cc(F)c1)C1CC1	841945386	JJMJUXLLYNMXNM-LLVKDONJSA-N	313.308	1.038	50	20	DDGD	
O=C(NC[C@H]1CCCNC1)NNC(=O)c1cc2c(s1)CCC2	841926894	LQFXJHMBEJWVPT-JTQLQIEISA-N	322.434	1.180	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H](NC(=O)NNc2ccc(Cl)nc2)C1	924167507	TVZMGJQBIJMVAV-BDAKNGLRSA-N	312.757	1.703	50	20	DDGD	
Cn1nc(CNC(=O)NNc2ncc(F)cc2F)cc1C1CC1	927657722	RANLUKIKZZSYSJ-UHFFFAOYSA-N	322.319	1.797	50	20	DDGD	
CC(=O)NNC(=O)c1cc(Br)cc2cccnc12	759757995	OKTNNFLAVVASRC-UHFFFAOYSA-N	308.135	1.778	50	20	DDGD	
Cc1ccc(NNC(=O)NCCCO[C@H]2CCOC2)cc1F	853848050	MRYAYFQLGWUSHM-ZDUSSCGKSA-N	311.357	1.956	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(OC2CC2)cc1OC	854920128	LFNZECYQERXHIU-UHFFFAOYSA-N	309.391	1.317	50	20	DDGD	
COCCCN(C)CCNC(=O)NNc1ccc(F)c(F)c1	920422280	VZHCTWNHRHWDSN-UHFFFAOYSA-N	316.352	1.559	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)c2ccc3ccccc3c2)c1N	757857982	SVNUWSILQRPEJJ-UHFFFAOYSA-N	309.329	1.230	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCCCCS(C)(=O)=O	854188296	URSYJHIKOGQDCP-UHFFFAOYSA-N	317.386	1.585	50	20	DDGD	
CC(C)OCCS(=O)(=O)NC[C@@]1(C)C[C@H]1Br	856753929	AIQCDKFZMJSYCT-NXEZZACHSA-N	314.245	1.504	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cnc3n2CCCCC3)n1	856793445	KUHJOLLOSORBAF-UHFFFAOYSA-N	300.366	1.773	50	20	DDGD	
CC(C)CC1(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCCC1	858289448	HFLVVPWZNTZFIJ-LBPRGKRZSA-N	324.425	1.202	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)C[C@](C)(O)c1ccccc1)C1CC1	855099884	PUAOUUKKAQIKKE-BZNIZROVSA-N	321.446	1.578	50	20	DDGD	
CCn1cnnc1CNC(=O)NC[C@]1(C)C[C@@H]1Br	856719348	QEWFMECGDAHISP-KWQFWETISA-N	316.203	1.271	50	20	DDGD	
C[C@H](N)C1CCN(C(=O)NC[C@]2(C)C[C@@H]2Br)CC1	857105730	QUTCADRBRPDNBP-GAFUQQFSSA-N	318.259	1.929	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1csc(-c2ccccn2)n1	751368726	JRHRLJFKTWDNFT-UHFFFAOYSA-N	319.390	1.949	50	20	DDGD	
CCCCNC(=O)NNC(=O)/C(=C/c1ccccc1)NC(C)=O	920765067	PYCMWQGAESXHIB-KAMYIIQDSA-N	318.377	1.294	50	20	DDGD	
O=C(NN=Cc1c[nH]c2ccccc12)C(=O)Nc1ccccn1	758380811	PHRJNYFVSHTLJI-UHFFFAOYSA-N	307.313	1.652	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)C[C@H]1CCS(=O)(=O)C1	928336163	CRTXNJYECIIKDP-SNVBAGLBSA-N	316.810	1.916	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@H](SC)C(C)(C)C)n1	753283117	KFJLGQNGTBLBRU-VIFPVBQESA-N	313.427	1.889	50	20	DDGD	
NC(=O)N1CCC[C@@H](C(=O)NNc2cc(F)cc(Cl)c2)C1	855619535	PNZLFLOBIIDCKX-MRVPVSSYSA-N	314.748	1.713	50	20	DDGD	
O=C(C[C@@H]1C=CS(=O)(=O)C1)NN=c1cc[nH]c2ccccc12	754419075	DVBZFMNXIIQMEU-NSHDSACASA-N	317.370	1.048	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1cc[nH]n1)N1CCc2ccccc21	855355325	WROVPFTYXKNLRD-NSHDSACASA-N	313.361	1.012	50	20	DDGD	
C[C@@H](c1ccccc1)[C@H](O)CNC(=O)NNC(=O)C(C)(C)C	852083859	MPAWZYQFGZSPQK-WCQYABFASA-N	307.394	1.528	50	20	DDGD	
COc1nccnc1NNC(=O)CCC[C@@H](O)c1ccccc1	854954650	ZQTCKLYGYIDFCB-CYBMUJFWSA-N	316.361	1.832	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)c1cnn(C2CC2)c1	858918365	GMDUTNBIUWZOMG-UHFFFAOYSA-N	314.345	1.448	50	20	DDGD	
Cc1ccc(-n2cnnc2)c(C(=O)NCCCSC#N)c1	854361217	RMYYNTYFNMUKNT-UHFFFAOYSA-N	301.375	1.910	50	20	DDGD	
CNc1cc(Cl)ccc1C(=O)NNc1nccc(OC)n1	857436416	ASCAGYGFLRBWGW-UHFFFAOYSA-N	307.741	1.937	50	20	DDGD	
C[C@]1(CN)CCN(C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	857105622	OJIUZFHUPAPBMZ-MVWJERBFSA-N	304.232	1.540	50	20	DDGD	
C#CCSCCNC(=O)NC[C@]1(C)C[C@H]1Br	856836472	OGTIPYPJCCIRDY-KOLCDFICSA-N	305.241	1.826	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cn(C2CC2)nn1)c1ccccc1	859298689	VQOAJSKHOSSQIJ-UHFFFAOYSA-N	313.361	1.352	50	20	DDGD	
CC1(Cn2cc(C(=O)NNc3c(F)cccc3F)nn2)COC1	759971253	NZWSQHCQAJCIFS-UHFFFAOYSA-N	323.303	1.350	50	20	DDGD	
CCOc1ccc(C[C@H](C)C(=O)NNc2cnnn2C)cc1	857270737	MQQMGLFRRJNOCU-NSHDSACASA-N	303.366	1.536	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(O)ccc1C(F)(F)F	854920888	VPJLTSJJVIBFFK-UHFFFAOYSA-N	307.297	1.492	50	20	DDGD	
Cn1cc(C#N)c(NC(=O)NNC(=O)c2cccc(Cl)c2)n1	756867030	ZXWPDDITLRJXNU-UHFFFAOYSA-N	318.724	1.412	50	20	DDGD	
CN(NC(=O)NCC1CCS(=O)(=O)CC1)c1ccccc1	756128918	RVXKVWCFQQNUAQ-UHFFFAOYSA-N	311.407	1.162	50	20	DDGD	
C[C@@]1(CNC(=O)COCC(F)(F)F)C[C@@H]1Br	857398724	OWEXLFRYKJNNHN-XPUUQOCRSA-N	304.106	1.855	50	20	DDGD	
N#Cc1ccc(NNC(=O)C[C@H]2SC(=N)NC2=O)cc1Cl	753298750	ZQKBKLGHFVKJOH-SECBINFHSA-N	323.765	1.211	50	20	DDGD	
CC(C)(C)OC(=O)[C@H](C(=O)NNC(=O)c1ccc[nH]1)C(C)(C)C	854277713	IMLJKGWQXQZSQS-NSHDSACASA-N	323.393	1.780	50	20	DDGD	
CN(C)c1ccnc(C(=O)NNC(=S)NCC2CCC2)c1	855091295	KNMIHUIXGVSYMH-UHFFFAOYSA-N	307.423	1.057	50	20	DDGD	
C=C(C)[C@H](CC(=O)NN(C)C(=S)NCCCOC)OCC	854283151	JTWXWTQZZKXORI-LBPRGKRZSA-N	317.455	1.232	50	20	DDGD	
CC(C)Oc1cccc(C(=O)NNC(=O)OCC(F)(F)F)n1	856021668	KFRYSXPKXUYEOZ-UHFFFAOYSA-N	321.255	1.802	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(-c2nc(C)cs2)cc1	756301062	IDKXQXFJIPXQIY-UHFFFAOYSA-N	320.374	1.918	50	20	DDGD	
COC(=O)[C@H]1CCC[C@H](C(=O)NNc2ncccc2[N+](=O)[O-])C1	759294982	YAWXGUHGXJZSPU-UWVGGRQHSA-N	322.321	1.412	50	20	DDGD	
O=C(NN=Cc1c(C2CC2)nc2sccn12)C(=O)NC1CC1	755611486	MRBUUABESIAZRQ-UHFFFAOYSA-N	317.374	1.002	50	20	DDGD	
CC(C)N1CCC[C@H]1C(=O)NNc1nc(-c2ccncc2)no1	931501144	VDYNVDVVBYLWBF-LBPRGKRZSA-N	316.365	1.448	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2c([N+](=O)[O-])cnn2C)c1	767094098	OJDDVLROFWJINP-UHFFFAOYSA-N	309.257	1.233	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H](O)[C@@H](C)c1ccccc1F	865015174	WGSSRDRGJXLCQC-GWCFXTLKSA-N	311.357	1.421	50	20	DDGD	
CC(C)C[C@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1	862454466	GRCABTZTQSKPFK-KBPBESRZSA-N	317.389	1.242	50	20	DDGD	
CCc1cc(NC(=O)NNC(=O)c2cc(C)cs2)nn1C	861182712	RHVCYWWNTCNAGP-UHFFFAOYSA-N	307.379	1.819	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1ccccc1OC(F)F	763816122	FMDMQJUXZFJPSC-UHFFFAOYSA-N	315.276	1.030	50	20	DDGD	
Cn1cc(Cl)c(C(=O)NNC(=O)OCC(F)(F)F)n1	862216684	PXFAKXVRSKJULX-UHFFFAOYSA-N	300.624	1.007	50	20	DDGD	
C[C@@H](C=NNC(=O)CS(C)(=O)=O)c1cccc(Cl)c1	863187524	NYNOAWHOXIWDKL-VIFPVBQESA-N	302.783	1.590	50	20	DDGD	
CCCC1(C(=O)NNC(=O)CNc2cccc(OC)c2)CC1	761022053	XZYIBGRFVSISSL-UHFFFAOYSA-N	305.378	1.835	50	20	DDGD	
CC[C@@H](CC1CCCC1)C(=O)NNC(=O)COCCOC	869910849	ZLNRAPBPGSZUFE-ZDUSSCGKSA-N	300.399	1.403	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2C[C@H]2C(F)(F)F)n1	868988374	BZCDQFBETCXFAR-RNFRBKRXSA-N	305.260	1.371	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc(C)[nH]n2)c(Cl)c1	765585764	GKIQDDBZTMXVTK-UHFFFAOYSA-N	308.725	1.455	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C(F)(F)F)c1	763442358	VPIWHTXYSFFHIO-UHFFFAOYSA-N	317.267	1.510	50	20	DDGD	
O=S(=O)(NCC(Cl)Cl)c1cccc2nsnc12	867470503	ORLXWXNASCPYNU-UHFFFAOYSA-N	312.203	1.773	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cc2c(cn1)OCCC2	1116537472	IKXPETSQVYNILE-UHFFFAOYSA-N	303.240	1.120	50	20	DDGD	
COC(=O)NNC(=O)c1csc(-c2ccccc2OC)n1	765855804	HWTJNJLJLBQEPJ-UHFFFAOYSA-N	307.331	1.820	50	20	DDGD	
C[C@@H](OCc1ccncc1)C(=O)NNC(=S)NCC1CCC1	1119042339	ZLIYUMYWDIMODY-LLVKDONJSA-N	322.434	1.282	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)C(=O)Nc1ccc2c(c1)CCC2	764064618	LECQOMMXXPHYOE-UHFFFAOYSA-N	315.373	1.451	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccco2)cc1C	765385238	OBXVXPZCRLYJBT-UHFFFAOYSA-N	315.329	1.225	50	20	DDGD	
Cc1ncncc1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	1115851203	AGADSAXURKKFOM-SNVBAGLBSA-N	318.308	1.153	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccccc1OC(F)F	875040564	OOOLMUQGXSNQCL-UHFFFAOYSA-N	303.265	1.700	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=S)Nc2ccccn2)n(C)n1	874956848	QSQKTEBFRYANNC-UHFFFAOYSA-N	318.406	1.570	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCc1cccc(O)n1	777459875	BZXKSCVZAWHHOM-UHFFFAOYSA-N	308.769	1.769	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2nc3ccccc3s2)CO1	873053599	LUFBDLGRBISFLH-IUCAKERBSA-N	320.374	1.418	50	20	DDGD	
CN(NC(=O)c1ccc(N2CCc3ccccc3C2)cc1)C(N)=O	778417583	VUMIIXBGNUZIGK-UHFFFAOYSA-N	324.384	1.905	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1nncn1Cc1ccccc1	872385023	ZNVHDVNXFQCSDB-JSGCOSHPSA-N	313.361	1.202	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)/C=C\c3cccs3)nc21	770970046	XACNIYMSYRQOMG-PLNGDYQASA-N	316.346	1.287	50	20	DDGD	
Cc1cccc(NNC(=O)NCCCN2CCCO[C@H](C)C2)n1	875534523	MBISNTZYLTVECT-CQSZACIVSA-N	321.425	1.517	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)c2ccccc2C)c(C)o1	776272784	WKQNMGZDRXPTGT-UHFFFAOYSA-N	308.359	1.828	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)c2ccccn2)ccc1Cl	777787060	PMXQYVATXATNHV-UHFFFAOYSA-N	300.705	1.681	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(c2ccccc2)CC1	771868255	RCQUSIZFLLFHLE-NSHDSACASA-N	304.346	1.207	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cccc(N(C)C)n2)n1	775753775	KIDKNKGLXBASRH-UHFFFAOYSA-N	303.326	1.095	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H](CO)C[C@@H](O)c1ccccc1	882014099	CXVHEDWZNIGBHM-CHWSQXEVSA-N	321.826	1.019	50	20	DDGD	
COc1cccc([C@H](C)N[C@@H](C)C(=O)NNC(=O)CC(C)C)c1	774856004	OKVFNZWKPZLEFB-STQMWFEESA-N	321.421	1.928	50	20	DDGD	
C[C@H](C#N)CNC(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	770800420	ZEUXLCRTZKUWSQ-NXEZZACHSA-N	324.768	1.597	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)c1ccccc1C)[C@H]1CCCO1	773135513	NHKPCYYGNCYBFW-UONOGXRCSA-N	301.346	1.120	50	20	DDGD	
COc1cccc(NNC(=O)Nc2ccc(C(N)=O)cc2C)n1	780486037	WBDDJQHBGZCETP-UHFFFAOYSA-N	315.333	1.646	50	20	DDGD	
NCCOCc1cn([C@]2(Cl)C[C@@H]2CCBr)nn1	881382424	LZMJOJZUWIARBZ-WCBMZHEXSA-N	323.622	1.450	50	20	DDGD	
O=C(CCCc1ccc(O)c(F)c1)NNC(=O)NCC1CC1	786828417	XTIREJXQUUKQPG-UHFFFAOYSA-N	309.341	1.594	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2c[nH]nc2C2CC2)nc1	789833086	YGCHNEQMHRXFAG-UHFFFAOYSA-N	301.306	1.226	50	20	DDGD	
CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)CCCCl)C1	881844683	QYJGVLBUCQRSEC-LLVKDONJSA-N	310.847	1.183	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@H](CO)c1ccc(F)cc1	882260222	DKRWDPPMNXJBAH-LLVKDONJSA-N	309.790	1.450	50	20	DDGD	
CCNC(=O)NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1ccccc1	785367093	SKFZQHZGRURILG-VSXLWIIGSA-N	315.329	1.371	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1cccc(C)c1Cl	782478475	PJKBSEAVHBAYJP-UHFFFAOYSA-N	305.787	1.503	50	20	DDGD	
Cc1nnc(CNC(=O)NNc2cccc([N+](=O)[O-])c2C)s1	780896255	FXIMUURVZRSJJM-UHFFFAOYSA-N	322.350	1.889	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCOCc1ccc(OC)cc1	780710884	ZGKWQLVIRXFEEY-UHFFFAOYSA-N	309.366	1.294	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1nc(N2CCCC2)ncc1Cl	780756548	KVEYKQRWTPVIGS-UHFFFAOYSA-N	318.768	1.304	50	20	DDGD	
CN1CCCC[C@@H](CNC(=O)NNc2ccc(C#N)cn2)C1	897561259	ANTILHFBDVXWNK-ZDUSSCGKSA-N	302.382	1.311	50	20	DDGD	
CN1CCCC(C)(C)[C@@H]1CNC(=O)NNC(=O)CC(C)(C)C	790542123	LSWRYTVMKSLXOR-LBPRGKRZSA-N	312.458	1.873	50	20	DDGD	
O=C(Cc1c(Cl)cccc1Cl)N1CC[C@@H](B(O)O)C1	585070924	ILEUUJISPHOXMG-MRVPVSSYSA-N	301.966	1.611	50	20	DDGD	
CSSCCNC(=O)N1CCC[C@@H](CNC(N)=O)C1	790877173	WHUNZKVINQKVPB-VIFPVBQESA-N	306.457	1.088	50	20	DDGD	
CCOc1c(Cl)cc(/C=C(/C#N)S(N)(=O)=O)cc1OC	799893910	LYBSIVCUBLNTPS-WTKPLQERSA-N	316.766	1.900	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc(F)c(F)c2F)n1	794082103	YJEZSTGPBHLPQB-UHFFFAOYSA-N	309.247	1.882	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@H]2CCCCO2)c1	791162308	UXZYIKCPCPRCBH-CYBMUJFWSA-N	306.366	1.792	50	20	DDGD	
Cc1ccccc1NCCC(=O)NNc1nc2ccccn2n1	791242267	FEWIPLVWEHZXNU-UHFFFAOYSA-N	310.361	1.983	50	20	DDGD	
CCn1ncnc1CNC(=O)NNc1cc(F)c(F)c(F)c1	793455760	JGAZWTXGFDZSQX-UHFFFAOYSA-N	314.271	1.542	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Cc2ncccc2F)cc1	792015397	ADUQUUWGSMODEK-UHFFFAOYSA-N	317.320	1.298	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1	792319615	DVXGKANGLBIWLT-JSGCOSHPSA-N	323.368	1.829	50	20	DDGD	
O=C(CCO)NN=C1CCC[C@H]1Cc1ccccc1[N+](=O)[O-]	1319554947	ADLRZOWWLUUJRH-NSHDSACASA-N	305.334	1.792	50	20	DDGD	
O=C(CCl)NCc1csc(CNC(=O)c2ccccc2)n1	1319683136	XMAKCWRVATVMID-UHFFFAOYSA-N	323.805	1.928	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1cccn1C1CC1	1324611201	XCJKZYHUHGCGCI-UHFFFAOYSA-N	300.318	1.296	50	20	DDGD	
O=Cc1ccc(OC(F)(F)C(=O)NNc2cccnn2)cc1	1320063679	JHSLEKQUSBIBAO-UHFFFAOYSA-N	308.244	1.404	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cn(C)cc1C(F)(F)F	1323928300	KJISBXQGWVEZBU-UHFFFAOYSA-N	322.287	1.024	50	20	DDGD	
CC(=O)N1CCC(C(=O)NNC(=O)Nc2ccccc2)CC1	1321308171	YYWRNZSXASGRNY-UHFFFAOYSA-N	304.350	1.098	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(N2CCCC2=O)c(C)c1	1321654282	HFOLFHPVQFAISE-UHFFFAOYSA-N	306.322	1.514	50	20	DDGD	
CN(NC(=O)c1cc2c(cn1)OCCC2)C(=O)OC(C)(C)C	1328202348	RUJNCRSKFDQMIA-UHFFFAOYSA-N	307.350	1.918	50	20	DDGD	
Cc1cc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])ncn1	1324430322	NMBGWMQKORYKJI-UHFFFAOYSA-N	315.289	1.222	50	20	DDGD	
CC[C@H](C)CN(C)C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1328548080	QZCVLHYMGYDLSU-KWBADKCTSA-N	319.243	1.781	50	20	DDGD	
CCOC1CCN(C(=O)NNC(=O)c2cc(C)cs2)CC1	1331313633	XDSUSJVYQUWDMH-UHFFFAOYSA-N	311.407	1.912	50	20	DDGD	
C[C@@]1(COC(=O)c2cnn3c2OCCC3)C[C@H]1Br	1526044064	GCSUHQVJRLGXHU-SKDRFNHKSA-N	315.167	1.996	50	20	DDGD	
O=C(NN=C1CCC[C@H](C(=O)O)C1)c1cc([N+](=O)[O-])ccc1O	1601552661	CRAIYJCZVVACQO-QMMMGPOBSA-N	321.289	1.661	50	20	DDGD	
O=C(O)CCc1csc(NC(=O)NNc2ccccn2)n1	1602046373	JJUGIEYHDOBHFB-UHFFFAOYSA-N	307.335	1.704	50	20	DDGD	
O=C(NNC(=O)[C@@H](C(=O)O)C1CC1)c1ccc2ccccc2n1	1605814526	FUGGDHDCXUDBBU-ZDUSSCGKSA-N	313.313	1.107	50	20	DDGD	
O=C(O)c1ccc(CCNS(=O)(=O)CCCCCl)cc1	1608880523	RKBKFNARLJJFFF-UHFFFAOYSA-N	319.810	1.866	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2ccc(C(=O)O)cc2F)C1	1601145871	UDNKULUQFXBSNP-RKDXNWHRSA-N	323.324	1.259	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)O)o1)Nc1ccc2c(c1)OCO2	1608477412	JHIKPMGFEYAPMT-UHFFFAOYSA-N	317.257	1.862	50	20	DDGD	
O=C(O)c1ccnc(C(=O)NNc2c(F)cc(F)cc2F)c1	1608951629	GJIGYLZTYZQRFA-UHFFFAOYSA-N	311.219	1.954	50	20	DDGD	
O=C(NCCCOC(F)F)NNc1cccc(C(=O)O)c1	1610692328	HVGOKZSDXPFCHF-UHFFFAOYSA-N	303.265	1.640	50	20	DDGD	
O=C(NN=C1CCc2ccccc2C1)[C@@H]1CN2CCC[C@H]2CO1	1549317443	LFMXRDNBYVMOTO-IRXDYDNUSA-N	313.401	1.511	50	20	DDGD	
CCCC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1ccccn1	1549319695	IUCYQTOBTMQIMN-XJKSGUPXSA-N	316.405	1.565	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@@H]1C(=O)NCC(Cl)Cl	1552139417	QWMRZEHBXHKSDI-WCBMZHEXSA-N	306.193	1.901	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@]2(C)CCNC2)c1C	1574165384	GOULSCNUJKIVPX-CXAGYDPISA-N	319.405	1.218	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)C[C@H]1CC[C@@H](N)C1	1579309871	RDZYOZBBLWFGGK-WDEREUQCSA-N	322.434	1.530	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)[C@@]1(F)CCNC1	1579552762	KOSOQIRDNFWFAO-GFCCVEGCSA-N	316.174	1.902	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCCC[C@]2(C)N)cc1O	1579663787	ICKRBYRURIRWJN-WBMJQRKESA-N	305.378	1.369	50	20	DDGD	
N#CCCCC[C@@H](N)C(=O)NNc1ccc(-c2ccccc2)nn1	1580051066	ZFHRHGPVGJERCX-CQSZACIVSA-N	324.388	1.998	50	20	DDGD	
NCC1([C@H]2CCCCN2S(=O)(=O)CCCCl)CCC1	1580240274	VVBVZIJGBFAPME-GFCCVEGCSA-N	308.875	1.929	50	20	DDGD	
CC(C)CCC(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1	1841353766	OPKJPOATKNVOJI-GFCCVEGCSA-N	316.829	1.226	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2[nH]cnc2C)C1	1843522723	LNYLNGGKICFLDW-LLVKDONJSA-N	324.812	1.553	50	20	DDGD	
COCC(=O)N1CC2(CCCN2C(=O)C(C)(C)CCl)C1	1841225916	YOUQFIMSFZGYNN-UHFFFAOYSA-N	302.802	1.101	50	20	DDGD	
CCOc1nc(C(=O)NNc2ccc(C(=O)O)cc2OC)co1	1597192308	OLWBLHVSHHAJCX-UHFFFAOYSA-N	321.289	1.537	50	20	DDGD	
C[C@@]1(C(=O)N[C@@H]2CCC[C@H]2CC(=O)O)C[C@@H]1Br	1593755488	RQRRLHRDUMDLDL-KIKITERTSA-N	304.184	1.920	50	20	DDGD	
CO[C@](C)(C(=O)O)C(=O)NNc1ccc(C(F)(F)F)cn1	1593927270	VXFNTARVCDTULW-JTQLQIEISA-N	307.228	1.033	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)C1(C(=O)O)CCC1	1594713802	GNVRXBYEIDUCLL-UHFFFAOYSA-N	315.329	1.044	50	20	DDGD	
O=C(O)C1CCC(O)(CN2C[C@H]3[C@H](Br)[C@H]3C2)CC1	1594912357	VJZZPEFDQVKVKM-OZMAASJLSA-N	318.211	1.317	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCO[C@@H](C(=O)O)C1	1594601670	PJRBIVTYFDKETG-SVTZGKHISA-N	304.277	1.045	50	20	DDGD	
O=C(NN=Cc1c[nH]c2c(C(=O)O)cccc12)c1cnsn1	1776104957	HWTFCMJYRWSXSU-UHFFFAOYSA-N	315.314	1.482	50	20	DDGD	
O=C(O)CCc1ccc(C=NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)o1	1776090918	IWEZMNJGLUYQOC-KGYLQXTDSA-N	306.318	1.314	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2cccc(C(=O)O)c2)c[nH]1	1776095286	PVQHSIUGACIBNX-UHFFFAOYSA-N	315.285	1.263	50	20	DDGD	
COc1nn(C)cc1C=NNC(=O)Nc1ccc(C(=O)O)cc1	1776046171	DPFCFAOUWKYERG-UHFFFAOYSA-N	317.305	1.283	50	20	DDGD	
CC[C@H](C)C(=O)NN=Cc1cn(C2CCOCC2)nc1C(=O)O	1776035722	AWJCUFUBNGGGLC-JTQLQIEISA-N	322.365	1.429	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)O)c(F)c1)c1ccc(O)cc1	1776013057	YRQKQMYBUFFXOH-UHFFFAOYSA-N	302.261	1.993	50	20	DDGD	
CCOC(=O)NNC(=O)c1cnc(-c2ccccc2)nc1C	150942708	YORXZBPCXGOLFM-UHFFFAOYSA-N	300.318	1.843	50	20	DDGD	
O=C(CCc1ccc(F)cc1F)NNc1ncnc2nc[nH]c12	162295801	MUYKIGLSVYPYOV-UHFFFAOYSA-N	318.287	1.707	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1	163476906	YGXLOYQCHCSDKZ-UHFFFAOYSA-N	306.366	1.616	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2sccc2-n2cnnn2)c1	152335381	KACPEMFDUGPJLJ-UHFFFAOYSA-N	311.330	1.352	50	20	DDGD	
O=C(COC[C@@H]1CCCO1)NNc1cccc(C(F)(F)F)n1	155839425	AEPQELVYRODMOG-VIFPVBQESA-N	319.283	1.739	50	20	DDGD	
COc1ccc(CCNS(=O)(=O)CBr)cc1	126617755	MQOHBNUXQTUAIT-UHFFFAOYSA-N	308.197	1.510	50	20	DDGD	
CCCNC(=O)CNS(=O)(=O)c1ccc(CCCl)cc1	36900404	CDTPSJNUQZWCNS-UHFFFAOYSA-N	318.826	1.272	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1ccc(OC(F)(F)F)cc1	7405544	IZLGDCOOEPNMKT-UHFFFAOYSA-N	314.241	1.135	50	20	DDGD	
CCCN1CC[C@@H](CNC(=O)NNC(=O)c2ccccc2)C1	54806346	IMWBJVUAKXSEON-ZDUSSCGKSA-N	304.394	1.363	50	20	DDGD	
COc1cc(CC(=O)NNC(=O)c2c[nH]nc2C)ccc1C	109860169	HBQCVZSFEXJBAN-UHFFFAOYSA-N	302.334	1.039	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCc1ccc(Cl)s1	109858912	NACXJXSIBITNNN-UHFFFAOYSA-N	312.782	1.827	50	20	DDGD	
CCOCCCC(=O)NNC(=O)CCc1ccc(OC)cc1	55707816	CONLCDOSGWKQMV-UHFFFAOYSA-N	308.378	1.592	50	20	DDGD	
Cc1cccnc1NC(=O)NNC(=O)Cc1ccccc1F	171832664	DKBINBSGIVXRGK-UHFFFAOYSA-N	302.309	1.925	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNC(=O)NC1CCCCC1	176121817	FOFALACILQNBCK-UHFFFAOYSA-N	312.414	1.298	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1ccc2c(c1)OCCO2	114895193	RPXDBMQTDPJWAO-UHFFFAOYSA-N	306.709	1.658	50	20	DDGD	
O=C(NNc1ccccc1)N[C@H]1CCN(CC(F)(F)F)C1	114949058	YYSUQFWAYRQGLL-NSHDSACASA-N	302.300	1.949	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C2[C@H]3CCC[C@@H]23)cc1OC	177618554	BRQZZBDWEMQAQV-ODOQXGPZSA-N	318.373	1.901	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCCN1CCc2sccc2C1	66887869	GEDFVOGAKOYQNX-JLHYYAGUSA-N	305.403	1.666	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NNc1nccn(C)c1=O	119232094	JUHHGVNJIQBBGU-VHSXEESVSA-N	304.375	1.397	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1cccc(NS(C)(=O)=O)c1	24953955	DXTJQHLARHVJRV-ZRDIBKRKSA-N	323.374	1.118	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCCNC(=O)C2CC2)s1	62524559	WXMIGTCANDXWER-UHFFFAOYSA-N	309.391	1.124	50	20	DDGD	
Cc1ccnc(NNC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1	176755192	NXVQFGHOIYEPSN-VXGBXAGGSA-N	316.361	1.008	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn(Cc3ccccc3)c2)o1	175847573	BERYGQICGHWDBY-UHFFFAOYSA-N	324.340	1.908	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CCC1CCOCC1	175652775	LSDZHZROZYPEGS-UHFFFAOYSA-N	320.389	1.592	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccncc1)[C@H]1C[C@@H]2CC[C@@H]1C2	176132865	PEYZGOLDAJGZRW-NMFUWQPSSA-N	316.405	1.779	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cnn(C)c1	123916844	LRAIQIONCZGIDY-MNOVXSKESA-N	304.375	1.355	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1cccnc1-c1ccccc1	120246692	OWYLOSNLPDKWTK-UHFFFAOYSA-N	313.361	1.463	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2CCN(c3ccccn3)C2)nn1	128553795	OOPSOJMDYHNCQY-LBPRGKRZSA-N	313.365	1.085	50	20	DDGD	
CC(=O)N1CCC[C@H]1C(=O)NNc1cc(F)c(F)c(F)c1	128688371	XXXFHWRWJQWCSZ-NSHDSACASA-N	301.268	1.558	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(C)=O)c1C	215983287	GXIFUIGIQFRITH-NVNXTCNLSA-N	304.346	1.791	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)nn1	124259251	CECHNARSVSHYHC-UBHSHLNASA-N	317.393	1.759	50	20	DDGD	
CCOC(=O)N1CCC[C@H](C(=O)NNc2ccnc(F)c2)C1	182450174	HUPDFKHMFPQBJL-JTQLQIEISA-N	310.329	1.532	50	20	DDGD	
Cc1cc(NNC(=O)c2cc3ccccc3oc2=O)nc(C)n1	128679249	LRPURROLOQDANK-UHFFFAOYSA-N	310.313	1.957	50	20	DDGD	
CS(=O)(=O)CCC(=O)NNc1ccc(OC(F)F)cc1	120528009	GCBTUARJQUZCFW-UHFFFAOYSA-N	308.306	1.166	50	20	DDGD	
CCC[C@H](C)C(=O)NNc1c(OC)cccc1S(C)(=O)=O	186060989	ZDGMKZOMSIIFOO-JTQLQIEISA-N	314.407	1.978	50	20	DDGD	
O=C(Cn1c(=O)oc2ccccc21)NNc1cccnc1Cl	128566343	QORVGYUJWZYBRJ-UHFFFAOYSA-N	318.720	1.786	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CC(=O)NNC(=O)c1cccn1C	125332738	QAYCYJMCNCGTTH-SECBINFHSA-N	304.350	1.585	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNc1ccc(C(F)(F)F)nn1	180725535	GNWUXDFSNQQDRW-UHFFFAOYSA-N	314.271	1.548	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)[nH]n1	78544270	PUOVHXWVGVIHJW-UHFFFAOYSA-N	318.352	1.850	50	20	DDGD	
CCc1noc(CC)c1CNC(=O)NNc1nccc(OC)n1	133013632	XHCKIQAHTALPHQ-UHFFFAOYSA-N	320.353	1.424	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNc1nc2ccccc2c(=O)n1C	181822601	VIWNQBGAHVXVBB-LLVKDONJSA-N	318.377	1.439	50	20	DDGD	
CC[C@@H]1C[C@H](C(=O)NNC(=O)Cc2ccccc2F)CCO1	180121772	INNWXOVBSAWIFO-CHWSQXEVSA-N	308.353	1.721	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(-n2cccn2)nn1)c1cccnc1	43784967	MNBFCMAKCSOBTP-LLVKDONJSA-N	324.348	1.445	50	20	DDGD	
CC[C@H](OC1CCCC1)C(=O)NNC(=O)Cc1ccncc1	81024368	OTSHIZYECRGMPA-AWEZNQCLSA-N	305.378	1.509	50	20	DDGD	
O=C(C[C@@H]1COC(=O)C1)NNc1ncc(Cl)cc1Cl	132497502	INZVRMAPZRSYRN-LURJTMIESA-N	304.133	1.785	50	20	DDGD	
CC(C)(C)O[C@@H](C(=O)NNC(=O)[C@@H]1CCCO1)c1ccccc1	130668138	JSZIAZQHHYSKHX-UONOGXRCSA-N	320.389	1.869	50	20	DDGD	
N#Cc1ccc(CNC(=O)NNc2nc3ccccn3n2)cc1	190948163	ZFZUXMRZBVTDKJ-UHFFFAOYSA-N	307.317	1.427	50	20	DDGD	
Cc1nc2cc(F)cc(C(=O)NNC(=O)N(C)C)c2nc1C	194937197	OOVIHQWUXIKDHL-UHFFFAOYSA-N	305.313	1.302	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC2[C@H](C)CCC[C@H]2C)n1	86427930	IFRQOXPEBAVXSK-GHMZBOCLSA-N	321.425	1.655	50	20	DDGD	
CCNc1ncc(C(=O)NNc2ncccc2[N+](=O)[O-])s1	130180818	QSZKCVWRROGYPC-UHFFFAOYSA-N	308.323	1.635	50	20	DDGD	
CCOC(=O)CNC(=O)/C(C#N)=C\c1ccc(OCC)cc1	133411666	BCTIOJYXCYFZLQ-LCYFTJDESA-N	302.330	1.672	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)/C=C(\C)C1CC1	195486437	YHJWRNWXTJQJEX-PKNBQFBNSA-N	304.346	1.578	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)c1cccc(O)c1O	193015245	UGPFGWLNWWQIGU-UHFFFAOYSA-N	312.285	1.905	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ncc(C(C)C)s1	190718123	SHMJYHZENFRHDN-MRVPVSSYSA-N	312.395	1.399	50	20	DDGD	
Cn1ccc2cccc(NC(=O)NNC(=O)Cc3ccncc3)c21	190072322	JOAVOEXGWLFRPK-UHFFFAOYSA-N	323.356	1.969	50	20	DDGD	
COc1ccc(-n2nc(C(=O)NNc3cccnn3)cc2C)cc1	92741830	UDTBJWXJXPGDKC-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCc2cccs2)c1O	94057127	FOWGNAKSENLHRM-UHFFFAOYSA-N	319.386	1.949	50	20	DDGD	
COC(=O)c1ccc(/C=C(/C#N)C(=O)Nc2ccn(C)n2)o1	254914451	NCWGMKKPJIIEFV-CLFYSBASSA-N	300.274	1.345	50	20	DDGD	
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NNC(=O)CN(C)C)c1	265069740	NRBKKXVMTXLOGG-CYBMUJFWSA-N	321.421	1.595	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)nn1	265181123	QIVFRDGUKHXBJP-NWDGAFQWSA-N	320.397	1.058	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C[C@@H]1CCCCO1	268039429	JVYNVGSHPQQMSH-LBPRGKRZSA-N	321.377	1.214	50	20	DDGD	
CCC[C@H](CC)NC(=O)NNC(=O)COc1ccccc1O	264537368	AEIOLKJCMFPEFV-NSHDSACASA-N	309.366	1.680	50	20	DDGD	
CCCn1nc(C)c(C(=O)NNc2nccc(OC)n2)c1C	268322008	NEXZEORMWSREJB-UHFFFAOYSA-N	304.354	1.465	50	20	DDGD	
Cn1ccnc(NNC(=O)CC23CC4CC(CC(C4)C2)C3)c1=O	267224674	OKJMUYNFPQRXHD-UHFFFAOYSA-N	316.405	1.830	50	20	DDGD	
O=C(NNC(=O)c1ccc2ccccc2n1)N[C@H]1CCSC1	266544725	KSHGSYQQZFOMLX-NSHDSACASA-N	316.386	1.684	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@@H](C)CO)c1C	269549972	NYANPCPBCLOOEX-GGNJANJASA-N	319.405	1.403	50	20	DDGD	
Cn1c(=O)oc2cc(NC(=O)NNC(=O)CC3CC3)ccc21	273362416	DDYDFXGRGBKVCN-UHFFFAOYSA-N	304.306	1.084	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Cc1cc(C)ccc1C	276635883	WWNUMFLKCIRNII-UHFFFAOYSA-N	322.405	1.783	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(OC2CCOCC2)cc1	272672597	LHIBSRDWPAAMDX-UHFFFAOYSA-N	321.377	1.551	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2CC2)c2cccnc12	274034488	HXVQGOQYYXFKEK-UHFFFAOYSA-N	312.329	1.039	50	20	DDGD	
COC1(CNC(=O)NNC(=O)COCc2ccccc2)CCC1	272596428	RPRJWVVNZHZZBL-UHFFFAOYSA-N	321.377	1.103	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H](C(C)C)N2CCCCC2)n1	279880341	XDNCOEOOBYYXRR-HNNXBMFYSA-N	318.421	1.662	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CCCN2C(C)=O)cc1Cl	272934635	OJKGNDOSUJXJAI-LBPRGKRZSA-N	311.769	1.803	50	20	DDGD	
Cc1nc2ccnn2c(C)c1C(=O)NNC(=O)OC(C)(C)C	270443877	AVTIOSBZBRQPKE-UHFFFAOYSA-N	305.338	1.516	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)c1	274111860	ZSTZZIPUGCQSCQ-UHFFFAOYSA-N	307.350	1.217	50	20	DDGD	
CCCNC(=O)CCC(=O)NNc1cccc(F)c1[N+](=O)[O-]	279447866	VKZMGRPMWXFRNG-UHFFFAOYSA-N	312.301	1.483	50	20	DDGD	
Cn1cc([C@@H]2CN(/C(=C/C#N)c3ccccc3)C[C@H]2CO)cn1	277848252	SQPBNBSCTZYWKX-IWNMMTPYSA-N	308.385	1.992	50	20	DDGD	
COCCN1CC[C@@H](NC(=O)/C(C#N)=C\c2ccc(O)cc2)C1	278971728	HNHDRALVIXCJPF-BAAYTWLHSA-N	315.373	1.136	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)[C@H]1CCCCS1(=O)=O	274862425	XSICAWZRVBNERS-SECBINFHSA-N	303.771	1.145	50	20	DDGD	
C[C@@H](Sc1ccccc1C(=O)NNC(=O)C(C)(C)C)C(N)=O	282643926	GUTJACIXDVDFSE-SECBINFHSA-N	323.418	1.460	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@H]1CCO[C@@H]1c1cccnc1	287505417	UTXCCULWTFLVAA-NWDGAFQWSA-N	306.366	1.288	50	20	DDGD	
CN(NC(=O)[C@H]1COCCN1C1CCCC1)c1ccccc1	287015814	DWWSDROOMJIJQK-MRXNPFEDSA-N	303.406	1.797	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H](C)OC[C@@H]1CCCO1	281286482	QOEUKILKUIQGLO-STQMWFEESA-N	321.377	1.732	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NNc1nc2ccccn2n1	281668909	YPGBLWRHYQIIJK-WCQYABFASA-N	316.365	1.337	50	20	DDGD	
C[C@@H]1CCC[C@](CNC(=O)NNc2ncncc2F)(N(C)C)C1	292895920	BKHLXBFIWXGHHW-ABAIWWIYSA-N	324.404	1.752	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)Nc2cc(F)cc(F)c2)n[nH]1	802003865	YCTJPKNFGOHHOS-UHFFFAOYSA-N	309.276	1.392	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)[C@H]1CCN(CC(F)(F)F)C1	297079173	XKVVCXFRHMTKTL-ZETCQYMHSA-N	324.253	1.687	50	20	DDGD	
Cc1[nH]c(C(=O)NNc2nnc[nH]2)c(C)c1C(=O)OC(C)C	294083264	ZBGNSRBIRCJSEY-UHFFFAOYSA-N	306.326	1.072	50	20	DDGD	
CC[C@@H]1C[C@H](CC(=O)NNC(=O)N=c2cc[nH]cc2)CCO1	802031181	DMFCPGGHOYDVBR-DGCLKSJQSA-N	306.366	1.252	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)c2sc(N)nc2C)[C@@H]1SC	807961930	LXBMLKKXBYUUGU-SCZZXKLOSA-N	314.436	1.660	50	20	DDGD	
Cc1ccc2[nH]cc(C(=O)NNC(=O)c3ccc[nH]3)c(=O)c2c1	804183717	VHXGMIQDDFFWLZ-UHFFFAOYSA-N	310.313	1.239	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2ncn(C)n2)cc1C	291261072	PXYUTNOOEZCDMR-UHFFFAOYSA-N	303.322	1.057	50	20	DDGD	
COc1cccc(SCC(=O)NNC(=O)[C@@H]2CCCCO2)c1	295576363	BTEFOGIUOMVCIA-ZDUSSCGKSA-N	324.402	1.504	50	20	DDGD	
C[C@H]1Sc2ccc(C(=O)NNC(=O)CC3CC3)cc2NC1=O	294123170	KNVLLABYSYHZJK-MRVPVSSYSA-N	319.386	1.680	50	20	DDGD	
CC1(C)C[C@H](NC(=O)NNc2ncc(F)cc2F)CCO1	297143814	CSEJKEGOOWYHLO-SECBINFHSA-N	300.309	1.944	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H]2CCN(C(=O)CC)C2)cc1	294344999	MXJVTDXQLLQUOZ-LBPRGKRZSA-N	305.378	1.787	50	20	DDGD	
C[C@@](O)(CC(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccc1	295771348	RJGKRBJVRYDDNZ-XJKSGUPXSA-N	306.362	1.001	50	20	DDGD	
Cc1ccc(C2(C(=O)NNc3ccncn3)CCOCC2)cc1	296066164	GGROVNFSSPNQFM-UHFFFAOYSA-N	312.373	1.977	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1sccc1OC(F)F	295328700	HDJHAVLBZZVIPA-QMMMGPOBSA-N	320.317	1.680	50	20	DDGD	
CC1(C)CN(CC(=O)NNC(=O)c2ccccc2)[C@@H]2CCC[C@@H]21	293224541	YDCYWWKPBDAGRD-LSDHHAIUSA-N	315.417	1.958	50	20	DDGD	
Cn1ncc2cc(C(=O)NNc3nccnc3C3CCC3)cnc21	805474606	CLEDXFLECLHVRB-UHFFFAOYSA-N	323.360	1.783	50	20	DDGD	
CN(NC(=O)c1cc(F)cc2[nH]nnc12)C(=O)OC(C)(C)C	297144660	HTSSADQWXAZWHR-UHFFFAOYSA-N	309.301	1.609	50	20	DDGD	
N#Cc1ccc(C[C@H](C#N)C(=O)NNc2ncccc2F)cc1	804213510	LPIKRKKGFFWUGA-CYBMUJFWSA-N	309.304	1.918	50	20	DDGD	
Cn1cncc1CNC(=O)NNC(=O)Cc1ccc(Cl)cc1	811925232	HCXVNVIUEIZYIU-UHFFFAOYSA-N	321.768	1.147	50	20	DDGD	
CON(C[C@@H]1C[C@H]2CC[C@H]1C2)S(=O)(=O)CBr	813756127	KFHMBFDKLMPCRC-GUBZILKMSA-N	312.229	1.968	50	20	DDGD	
CC(C)n1cc([C@@H](C)NC(=O)NNc2ncncc2F)cn1	814301140	VDXRAORKKIWMAN-SECBINFHSA-N	307.333	1.780	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	813423863	BDXBOXWTCJZQSK-UHFFFAOYSA-N	321.120	1.866	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)cc1	817896128	PWDOHNLAAGNZSC-LLVKDONJSA-N	303.362	1.539	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=S)NC1CCC1	814191857	OHQHZPIHTMJDPK-VIFPVBQESA-N	311.382	1.641	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2c(C)nn(C)c2N)cc1C	814721867	ZMBOCZDPPGWVDU-UHFFFAOYSA-N	315.377	1.457	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2CC[C@@H](CC(=O)O)[C@@H]2C)n1	814753287	SOVHMBCIQZJICX-RYUDHWBXSA-N	306.366	1.493	50	20	DDGD	
Cn1c(=NNC(=O)[C@@H](N)CCCC#N)sc2ccccc21	818043022	HALJXHDOZZNBKE-JTQLQIEISA-N	303.391	1.193	50	20	DDGD	
CN(C)N(C(=O)[C@@H]1CC2CCC1CC2)[C@@H]1CCS(=O)(=O)C1	816776754	GAOCAUHSIKHCFN-NWINJMCUSA-N	314.451	1.305	50	20	DDGD	
O=C(NNc1ncccn1)[C@@H]1CSC(c2ccccc2O)=N1	816848727	IQMANIKOGUVJRD-JTQLQIEISA-N	315.358	1.188	50	20	DDGD	
CC1(C)CN(CCNC(=O)NNc2ccc(F)cc2)CCO1	726262434	DZMRFLVFAJISFU-UHFFFAOYSA-N	310.373	1.563	50	20	DDGD	
COc1cccc2c1OCC[C@@H]2NC(=O)NNc1ncccn1	726275212	ZBEUEISSDFJPJM-NSHDSACASA-N	315.333	1.635	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1F)c1cnn2c1OCCC2	815852796	JPMZHNMAJZRQNL-UHFFFAOYSA-N	312.251	1.840	50	20	DDGD	
CN(C)C(=O)NNC(=O)Cc1ccc(Br)cc1F	824627642	RLSRPTIDGRPAAB-UHFFFAOYSA-N	318.146	1.433	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CCCC(=O)C2CC2)cc1	824037151	CNBLVCTYFKPWGP-UHFFFAOYSA-N	317.389	1.704	50	20	DDGD	
CC(=O)NNC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)OC(C)(C)C	495737251	NEUYXBNWWDWLJL-IAQYHMDHSA-N	313.398	1.627	50	20	DDGD	
CCCNC(=O)NNC(=S)NCCCN(C)c1ccccc1	726481910	XACBHJYBESMQDU-UHFFFAOYSA-N	323.466	1.601	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)CC2CC(F)(F)C2)c1	823524573	ZFYJWFZDHLKIPI-UHFFFAOYSA-N	311.332	1.949	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1CC1	824040307	OBMHVRYAVBTLHN-ZCFIWIBFSA-N	307.745	1.404	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)/C=C/C2CCOCC2)c1	492333674	XWOAHGLCRUHPDV-AATRIKPKSA-N	324.402	1.516	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCC1=O	824866081	KFKOQXAOLDESOU-KOLCDFICSA-N	314.349	1.315	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C	823913244	QPCAAJROAWNOGA-QWRGUYRKSA-N	302.415	1.334	50	20	DDGD	
OB(O)c1ccc(CNC[C@H](c2ccc(Cl)cc2)C2CC2)o1	585041948	XOZNJEKZJOCICS-HNNXBMFYSA-N	319.597	1.896	50	20	DDGD	
CCc1cc(C(=O)NC[C@]2(C)C[C@@H]2Br)n(C)n1	824804084	DWCRKAXIKOFGCH-JQWIXIFHSA-N	300.200	1.886	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)OC(C)(C)C)C1	493138411	JHZZFDAICSZVAV-VHSXEESVSA-N	300.355	1.522	50	20	DDGD	
Cn1nc2c(c1C=NNC(=O)c1cccc(C(=O)O)c1)CCC2	901265222	VZAFVUHDXVUDCQ-UHFFFAOYSA-N	312.329	1.371	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1C[C@H](C)O[C@@H](c2ccccc2)C1	827491311	KDPNLGSRZNBNIC-DZGCQCFKSA-N	319.405	1.252	50	20	DDGD	
COc1cc(OC)c(OC)cc1C=NNC(=O)c1c[nH]nc1C	735410586	MMZFZRPSSOLNSD-UHFFFAOYSA-N	318.333	1.508	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2[C@@H]3c4ccc(Cl)cc4C[C@H]32)o1	585049674	TYRPEBPMXHIGET-BPLDGKMQSA-N	303.554	1.041	50	20	DDGD	
CCO[C@@H]1C[C@@H](NCc2ccccc2B(O)O)C12CCCC2	585026027	BMRYFHNKIQMIPL-HZPDHXFCSA-N	303.211	1.194	50	20	DDGD	
CCN(CCO)NC(=O)COc1ccccc1Br	823869199	CWHNKYALZKBHKF-UHFFFAOYSA-N	317.183	1.173	50	20	DDGD	
CCN(C(=O)c1cccc(B(O)O)c1)[C@@H]1CCCc2cccnc21	584979486	VKHZSQPCJZFUGE-MRXNPFEDSA-N	324.189	1.301	50	20	DDGD	
CNC(=O)Nc1cccc(C(=O)NN(C)C(=O)OC(C)(C)C)c1	909937111	BKPQJVGWRAMLDJ-UHFFFAOYSA-N	322.365	1.950	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccsc1	834937474	OHXCBWDCPUVVQH-SNVBAGLBSA-N	300.405	1.413	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NOC/C=C\Cl)cc(C#N)n1C	491011490	OZLCYDQYQYZPOR-HLTLCVLOSA-N	304.737	1.912	50	20	DDGD	
C=COc1ccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)cc1	496426037	VKCQKCRNNVLLLL-UHFFFAOYSA-N	321.333	1.703	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CC[C@H](CC2CCCC2)C1	584975385	BVQTUIFCHKNIIB-CQSZACIVSA-N	301.195	1.409	50	20	DDGD	
CC[C@@H](C(=O)NNc1cccc(Br)n1)C(=O)OC	837212945	XJAXELCTHUZPBO-ZETCQYMHSA-N	316.155	1.486	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NNC(=O)C1CCC1	491330025	XXPOIICTFDWWOI-LLVKDONJSA-N	311.382	1.333	50	20	DDGD	
C[C@]1(C(=O)N2CCC[C@@H](CC(N)=O)C2)C[C@@H]1Br	906886004	QYOJMVYHFNCIOQ-AUTRQRHGSA-N	303.200	1.274	50	20	DDGD	
CCCOc1ccc(Cl)cc1C(=O)N1CC[C@H](B(O)O)C1	585073331	XKJYAZGPFPJDJX-JTQLQIEISA-N	311.574	1.818	50	20	DDGD	
COc1ccccc1C(C)(C)CNCc1ccc(B(O)O)cc1	585021735	ZAOLXLAHNDLODC-UHFFFAOYSA-N	313.206	1.442	50	20	DDGD	
C[C@@H]1[C@@H](NC(=O)c2ccc(B(O)O)cc2)C[C@H]1c1ccccc1	584960563	RXCDNFVJBUGZIO-VUCTXSBTSA-N	309.174	1.288	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C1(COC)CCCC1	839732860	DMDQSMBJNCMKGS-UHFFFAOYSA-N	316.398	1.130	50	20	DDGD	
CC(C)c1ccc2cc(C(=O)NNC(=O)CN(C)C)[nH]c2c1	733359139	BHJHPQVTPQQZJP-UHFFFAOYSA-N	302.378	1.614	50	20	DDGD	
CC(C)c1nc2cc(NCc3ccc(B(O)O)o3)ccc2o1	585017550	ZKGQBTOLHNPJMH-UHFFFAOYSA-N	300.123	1.836	50	20	DDGD	
O=S(=O)(CCl)N1CCN(c2ccc(Cl)cn2)CC1	830212648	SQGIPXDOMKEJTG-UHFFFAOYSA-N	310.206	1.383	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](c1ccccc1)C(F)F	836665950	MORYBXYJGSHBIF-LLVKDONJSA-N	301.293	1.360	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)COc1cccc(C)c1)C(F)F	836195432	YQJKYPXMIKVRSZ-NSHDSACASA-N	315.320	1.748	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2ncncc2F)CC1(Cl)Cl	836588620	GTVSPUDKJXSLLS-VIFPVBQESA-N	308.144	1.826	50	20	DDGD	
CC1(C)C[C@@]1(C(=O)NNC(=O)c1ncon1)c1ccccc1	832830048	GJVFQJHMSAROBV-HNNXBMFYSA-N	300.318	1.199	50	20	DDGD	
COC[C@H](CNC(=O)NNc1c(C)cccc1Cl)OC	838541936	PAMGMJWHCHNLNU-JTQLQIEISA-N	301.774	1.936	50	20	DDGD	
COc1ccnc(C(=O)NNC(=O)c2cc3c(s2)CCC3)c1	734810411	XKORRCCQKHGHDZ-UHFFFAOYSA-N	317.370	1.715	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](C)Cc1ccccc1Cl	731280941	IVUASSSTRNMDIO-JTQLQIEISA-N	313.785	1.638	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cnn(C(C)(C)C)c1	831506020	OGQHBOFEIPDUQT-MWLCHTKSSA-N	309.370	1.216	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)nc(C)n1	736718548	MPWQJCRUMHCHHY-LLVKDONJSA-N	305.382	1.184	50	20	DDGD	
Cc1c(NC(=O)c2cc(B(O)O)ccc2F)cnn1C(C)(C)C	585011430	LZIJWCYSLCZJKF-UHFFFAOYSA-N	319.145	1.018	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc(-n2cccc2)nc1	833246735	QOYRMKFRSPCSML-ZDUSSCGKSA-N	314.345	1.202	50	20	DDGD	
COC(=O)CN(C1CC1)S(=O)(=O)c1ccc(CCl)cc1	914230490	KHRFKUGHZCNYPK-UHFFFAOYSA-N	317.794	1.752	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H](C(C)C)N(C)C)cc1OC	730271552	BCLLDPKGIYYEEN-CQSZACIVSA-N	323.393	1.051	50	20	DDGD	
O=C(CC(F)(F)F)NN=Cc1ccccc1N1CCOCC1	917550368	GYUBJGYOABYBPF-UHFFFAOYSA-N	315.295	1.926	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)C1CCC1	839496594	KFBXICWSASLOLS-UHFFFAOYSA-N	320.349	1.230	50	20	DDGD	
O=C(CCc1ccco1)NNC(=O)NCC1(C(=O)O)CCCC1	833103489	NXMRLRINEMTLQT-UHFFFAOYSA-N	323.349	1.188	50	20	DDGD	
C[C@H]1CCCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)[C@H]1C	839499424	VIARVGWSMINRLU-STQMWFEESA-N	314.389	1.440	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc2n[nH]cc12	831593999	QCQHNVOOFIWQRL-ONGXEEELSA-N	317.349	1.449	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)COc2ccccc2[N+](=O)[O-])[C@@H](C)O1	834927569	NHWWKCVKKAKBLZ-NXEZZACHSA-N	307.306	1.643	50	20	DDGD	
Cc1nonc1CNS(=O)(=O)c1ccc(CCCl)cc1	742326645	XIAAKQUJWOFOAE-UHFFFAOYSA-N	315.782	1.638	50	20	DDGD	
CCN1CCC(=NNC(=O)COc2ccc(OC)cc2)[C@H](C)C1	741458165	QMCWWQDNNDNBEN-CYBMUJFWSA-N	319.405	1.908	50	20	DDGD	
CCC(=O)N1CCC[C@H](C(=O)NNC(=O)c2ccccc2C)C1	918688000	HFUCJTADVJOMQE-ZDUSSCGKSA-N	317.389	1.405	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@]1(C)CCc2ccccc21	843660675	VMKLANHZLQFDQF-XTQGRXLLSA-N	302.374	1.463	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@H]1CCCC[C@H]1CN	841952627	DDDPHCMLQZVQSL-GJZGRUSLSA-N	318.421	1.385	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCC(=O)Nc1c(F)cccc1F	910140991	OCVMTNVAKFBOPT-VIFPVBQESA-N	315.320	1.027	50	20	DDGD	
CC[C@H](O)[C@@H](C)C(=O)NNc1ncc(Br)cn1	912059922	KNRKCBZJYXNZPS-SVRRBLITSA-N	303.160	1.089	50	20	DDGD	
CN(C)CCn1ccc(C(=O)NNc2cccc(Cl)n2)n1	848123786	FICCITWYGBEAOL-UHFFFAOYSA-N	308.773	1.250	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CS1	840419738	XMDMZKDEDIHVBA-SCZZXKLOSA-N	324.362	1.433	50	20	DDGD	
CC(=NNC(=O)c1cccn1C)c1ccc(-n2cnnn2)cc1	918710866	HQYNJXJYEAQHIE-UHFFFAOYSA-N	309.333	1.155	50	20	DDGD	
CO[C@H]1CCCCC1=NNC(=O)Cc1cn2ccccc2n1	747638025	GHKZTNOFSYUZCD-AWEZNQCLSA-N	300.362	1.938	50	20	DDGD	
Cc1noc2ncc(C(=O)NNc3ccnc(N(C)C)n3)cc12	740104406	JWPTYLLKWNOMQR-UHFFFAOYSA-N	313.321	1.144	50	20	DDGD	
COc1ccc(C)cc1CC(=O)NNc1ccnc(N(C)C)n1	740107421	GNSUOAVZLVSHJE-UHFFFAOYSA-N	315.377	1.545	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc3c2OC(C)(C)C3)n[nH]1	847626786	RYUNZEDPHPPQCO-UHFFFAOYSA-N	314.345	1.506	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC12CCOCC2)c1ccc(Cl)cc1O	748845592	IBZOKIVVHCPYJA-LLVKDONJSA-N	324.764	1.623	50	20	DDGD	
COc1ccccc1C(C)(C)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843646200	IKUZPPSGQZKKQI-RYUDHWBXSA-N	320.389	1.545	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)[C@H]1CCc2c[nH]nc2C1	743410431	NCPVDQOAWMSUCA-JTQLQIEISA-N	308.345	1.601	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2cccc(O)c2O)cc1	917031049	DGNAGPBWXYOJBP-UHFFFAOYSA-N	313.313	1.495	50	20	DDGD	
Cc1noc(Cl)c1CCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843971756	DLYATFJCUFWYES-PSASIEDQSA-N	315.757	1.141	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)COc1cccc(Cl)c1	843644408	FEBGVJINJBCNKD-JOYOIKCWSA-N	312.753	1.291	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NC[C@@H]1CCCCN1	841922300	NMGVMJWWUYCKSZ-AWEZNQCLSA-N	304.394	1.092	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H](O)[C@@H](C)c2ccc(C)cc2)n1	748023984	IVBBSLRTNPNOBY-SMDDNHRTSA-N	316.361	1.401	50	20	DDGD	
C[C@H]1CN(C(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)CCN1	846669157	UMFFIGHUTJOYKB-MRBYEJRBSA-N	301.228	1.760	50	20	DDGD	
CC(C)COc1ccccc1C(=O)NNc1nccn(C)c1=O	747941669	BHBIHJNVRFPUPR-UHFFFAOYSA-N	316.361	1.572	50	20	DDGD	
C[C@H](CN)CNC(=O)NNC(=O)c1ccc(Cl)cc1F	841961870	RVALWSSGENEALD-SSDOTTSWSA-N	302.737	1.018	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCN1C1CCCC1)c1ncccn1	841447648	NXYAYGJWNGQKIL-CYBMUJFWSA-N	317.393	1.035	50	20	DDGD	
O=C(NN=Cc1cnc2ncccn12)c1ccc(O)c(Cl)c1	755734999	ZSBSOKREPPIDQX-UHFFFAOYSA-N	315.720	1.852	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCC2SCCS2)cc1	852028989	AMPZCIBFFMCOAL-UHFFFAOYSA-N	322.415	1.308	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cnn(CCC(C)C)c1CC	756811014	BMKFBQLQJIHADQ-UHFFFAOYSA-N	309.414	1.846	50	20	DDGD	
CO[C@@H](C)CNC(=O)NNC(=O)Nc1ccc(Cl)cc1	852531653	SNVMJAGBBCMWAX-QMMMGPOBSA-N	300.746	1.711	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(N(C)C(C)=O)cc1	756261496	JKXGNCGPCMKAOS-SNVBAGLBSA-N	306.366	1.868	50	20	DDGD	
CCCNC(=O)NNC(=O)c1sc(-c2ncccn2)nc1C	921038088	CWBXJPRRFDPWSP-UHFFFAOYSA-N	320.378	1.263	50	20	DDGD	
COC(=O)CCC(C)=NNC(=O)COc1ccccc1C#N	756877156	PNTHYYLHAMAXNL-UHFFFAOYSA-N	303.318	1.382	50	20	DDGD	
Cc1cccnc1C=NNC(=O)CCCNC(=O)C(C)(C)C	853407431	OYPORQWJEKLEDT-UHFFFAOYSA-N	304.394	1.783	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N=c1cc[nH]cc1Br	757806321	RXUDIAUIGVVHDG-UHFFFAOYSA-N	315.171	1.465	50	20	DDGD	
Cc1ccccc1COCC(=O)NNC(=O)[C@H]1CCCCO1	857275274	VXRQJQYCXJNPTN-CQSZACIVSA-N	306.362	1.228	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(C)cn2)cc1OC	752992776	FZRFBKKWVCSNAG-UHFFFAOYSA-N	315.329	1.482	50	20	DDGD	
Cc1ccccc1OCCCNC(=O)NNC(=O)c1cn[nH]c1	858196481	RAVTUNGWNCLQON-UHFFFAOYSA-N	317.349	1.131	50	20	DDGD	
O=C(NC[C@@H](C(=O)O)C1CCC1)NNC(=O)c1ccccc1F	854235054	NEDDHNABDMOLAI-LLVKDONJSA-N	323.324	1.271	50	20	DDGD	
O=C(C[C@H](O)c1cccc(F)c1)NNC(=O)OCC(F)(F)F	856022209	UPAOYKUVUKAKEI-VIFPVBQESA-N	324.230	1.569	50	20	DDGD	
C[C@H]1CN(Cc2ccccc2)CC1=NNC(=O)c1cnccn1	751521483	PBAHLPJDZIYFRN-ZDUSSCGKSA-N	309.373	1.714	50	20	DDGD	
CCOc1ccc(C(=O)NN(C)C(=S)NC)cc1OCC	854929759	QFDGQWJBAWOTFM-UHFFFAOYSA-N	311.407	1.565	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2oc(C(C)C)nc2C#N)CCC1	751782709	UOBJGGNQJXHHTD-UHFFFAOYSA-N	320.349	1.846	50	20	DDGD	
CCc1cccc(C(=O)NNc2ccnc(N(C)C)n2)c1O	751391947	KVNSEFLIQDICRI-UHFFFAOYSA-N	301.350	1.568	50	20	DDGD	
O=C(CN1C[C@@H]2CCCC[C@@H]21)NNC(=O)c1ccccc1Cl	852220809	YMLFSPIHWORJIO-FZMZJTMJSA-N	321.808	1.975	50	20	DDGD	
CN(CC(=O)N1CCOCC1)C[C@H](CBr)C1CC1	859068377	SXVAEWWWASWJMM-LBPRGKRZSA-N	319.243	1.198	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NC[C@@]1(C)C[C@@H]1Br	857397749	IUQBEIAURMBACU-JFGNBEQYSA-N	308.216	1.718	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@H](O)CCc1ccccc1	855001073	TWPJZFJXBMZEGX-SNVBAGLBSA-N	304.268	1.080	50	20	DDGD	
CCCCc1nnc(NC(=O)NNC(=O)COCC)s1	755421619	GXAARTNSTRCQEE-UHFFFAOYSA-N	301.372	1.070	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(F)cc(Cl)c1)N1C(=O)CCC1=O	855619516	OIYKPTWMNFTMDI-ZETCQYMHSA-N	313.716	1.460	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC([C@H](O)c2ccnn2C)CC1	857734613	PXMRLJZLHLLPIS-HVCHUGMYSA-N	318.377	1.136	50	20	DDGD	
Cc1ccc(CCC(=O)NNC(=O)Cc2cc[nH]n2)cc1Cl	755283474	YJFAZSDMLDDBNF-UHFFFAOYSA-N	320.780	1.694	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1ccc(C(F)F)nc1	853313718	GGVWMEODSVCMPI-JTQLQIEISA-N	315.320	1.911	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=Cc1cccc(C(N)=O)c1	755540769	PYKFBLVQDJISGU-UHFFFAOYSA-N	322.324	1.186	50	20	DDGD	
CCOC[C@@H]1CN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CCO1	862959428	RLWOGPKNNRAWLN-MBSJSRAVSA-N	318.348	1.997	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNCC(F)(F)C(F)(F)F)o1	863099266	CYBWPPRSOFNLRA-UHFFFAOYSA-N	300.183	1.914	50	20	DDGD	
COc1cc(C(=O)NN=C(C)[C@H](C)OC)cc(OC)c1OC	763121917	LRRIOCKKCOFXSB-JTQLQIEISA-N	310.350	1.853	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)[C@H]2CCCCO2)c(C2CC2)n1	868619851	UNSZPXNJCOOALC-GFCCVEGCSA-N	306.366	1.111	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21)C1CC1	862150666	XACGAHLDXZIPFQ-ISGRIPCHSA-N	315.442	1.866	50	20	DDGD	
CC(=O)N/C(=C\c1ccccc1)C(=O)NNc1ncc(F)cn1	762088521	ZCAUDORWSBVTSY-QPEQYQDCSA-N	315.308	1.236	50	20	DDGD	
CCOc1cccc(C=NNC(=O)Cc2cn3ccccc3n2)n1	763178076	BPFUQHPVVLJQLV-UHFFFAOYSA-N	323.356	1.821	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNc1ccccc1S(C)(=O)=O	860197769	ZHAZAFYRHBNFPU-LBPRGKRZSA-N	314.407	1.738	50	20	DDGD	
CCN(CC)c1ccc(CNCc2ccccc2B(O)O)cc1	863888784	KIXJDISLGGMHOX-UHFFFAOYSA-N	312.222	1.502	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc2nc(O)oc2c1	764481804	LIVNABLJJXYWPX-UHFFFAOYSA-N	301.262	1.089	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1	863856588	DWXMUNJZNAIZEF-LBPRGKRZSA-N	311.407	1.110	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H](c1ccco1)N1CCCC1	864409194	SOPZFEYQHSDHJF-NSHDSACASA-N	310.354	1.329	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cccc(Oc2nccs2)c1	768241756	SGNGZOXQXDABNN-UHFFFAOYSA-N	321.358	1.467	50	20	DDGD	
CC(Cc1cccs1)=NNC(=O)CNC(=O)c1cccnc1	763191849	BKBMWJSLGUVBJS-UHFFFAOYSA-N	316.386	1.608	50	20	DDGD	
Cc1cccc(C=NNC(=O)CS(C)(=O)=O)c1OC(F)F	863187652	ORJGQJLZKAEJNH-UHFFFAOYSA-N	320.317	1.091	50	20	DDGD	
Cc1cccc(NNC(=O)CSc2nncn2C(C)C)n1	862524436	KLUCXXCAHNBZHS-UHFFFAOYSA-N	306.395	1.798	50	20	DDGD	
CC(C)(C)N1C[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2)CC1=O	768250077	NHHXPQMNMYCIPO-SNVBAGLBSA-N	320.349	1.685	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(CSC)c1	764081551	JQRFUPYIMFLTRX-JTQLQIEISA-N	323.418	1.682	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1	768225146	CYSPRDMGYLSOGR-LDYMZIIASA-N	317.227	1.676	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNc1nccnc1Cl	878856558	GTOSEXRBRHYQTP-OIBJUYFYSA-N	306.757	1.662	50	20	DDGD	
N#CCc1ccc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)cc1	1116398801	YDPJCLGJMXNCPQ-UHFFFAOYSA-N	323.356	1.429	50	20	DDGD	
O=C(CCCOc1ccc(F)cc1)NNC(=O)c1ccccn1	873985608	SHKZCIZYBRLSOA-UHFFFAOYSA-N	317.320	1.841	50	20	DDGD	
Cc1ncc2c(n1)CC[C@@H](NC(=O)NN=c1cc[nH]c(C)c1)C2	875050515	KSASCADIJAXLKA-CYBMUJFWSA-N	312.377	1.094	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(C(F)F)o1)C1CCCC1	872338726	MXTIYKOXNKKUHF-UHFFFAOYSA-N	308.306	1.717	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCN2CCC[C@@H](C)C2)c1	1119084490	UYBZXVRSXFFQIC-LLVKDONJSA-N	324.450	1.732	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)c1c[nH]c(C(N)=O)c1	777481922	YJMQUVGMFUWPDP-UHFFFAOYSA-N	309.329	1.727	50	20	DDGD	
C[C@@]1(CNC(=O)CCc2cnc(N)s2)C[C@H]1Br	876983997	BSDLSBCZTLYYIU-KCJUWKMLSA-N	318.240	1.948	50	20	DDGD	
CC(F)(F)CCC(=O)NNc1cccc(S(C)(=O)=O)c1	776532722	GAEGVZQZWYSZJF-UHFFFAOYSA-N	306.334	1.969	50	20	DDGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)[C@H](O)c1ccccc1	874751484	FRZGCRXKCDVISY-TUTJWUKCSA-N	324.384	1.955	50	20	DDGD	
CCCN1C[C@@H](CNC(=O)NNc2cccc(C)n2)CC1=O	875676537	OXHJVRWXWUNQIH-GFCCVEGCSA-N	305.382	1.275	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H]2CCC(=O)NC2)c1	873755205	VYRCPAILOGPVOU-LLVKDONJSA-N	320.418	1.147	50	20	DDGD	
CC[C@H](CO)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	772996202	GVAIIKUSHUSJRS-NXEZZACHSA-N	314.769	1.273	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)C(C)(C)c2ccccc2)n(C)n1	874448792	YEORGSKSFGHSKB-UHFFFAOYSA-N	314.389	1.721	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)[C@@H](O)C1CCCCC1	874956139	MNVGBIWCAPIUMP-LBPRGKRZSA-N	308.407	1.340	50	20	DDGD	
COC(=O)CNC(=O)NN=C1C[C@H](C)c2c(F)ccc(O)c21	779821040	LGMGDKMWEDVUBQ-ZETCQYMHSA-N	309.297	1.215	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@@H](C)C2)cc1OC	776285217	JRDCPEIFQZBTGH-GHMZBOCLSA-N	306.362	1.901	50	20	DDGD	
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCOC1	779773342	WEFPYNLLCRSJHK-SNVBAGLBSA-N	307.306	1.833	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2ccc(Cl)cn2)n1	773488417	GVGMHNVEZWWUQP-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)C1CCOCC1)c1cccc(F)c1	883064068	OHAOXMVVHDVYCF-LLVKDONJSA-N	308.353	1.893	50	20	DDGD	
CS(=O)(=O)Nc1cccc(C(=O)NNc2ccccn2)c1	777475025	LORRCKWJNPKXNB-UHFFFAOYSA-N	306.347	1.210	50	20	DDGD	
C[C@H]1CC[C@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)C1	776414793	MNOISFBXSGYMJJ-AAEUAGOBSA-N	304.346	1.427	50	20	DDGD	
CN(C)[C@@H]1CCC[C@H](NC(=O)NNc2ccc(C#N)cn2)C1	888488148	ZXHGXWBXPMBEDP-QWHCGFSZSA-N	302.382	1.452	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)C1	776414799	MNOISFBXSGYMJJ-YPMHNXCESA-N	304.346	1.427	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)[C@H]1CCc2nnnn2CC1	885141344	BWPPTBVKUYFAKF-QMMMGPOBSA-N	308.292	1.047	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCCCC1)c1cc(C)nn1C	788978161	UXNFAWGLKQVVNH-GFCCVEGCSA-N	305.426	1.691	50	20	DDGD	
CC(C)[C@@H]1C[C@H](NS(=O)(=O)CBr)CCO1	782478276	AGBBBZZGVXWENO-BDAKNGLRSA-N	300.218	1.462	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1coc(C2CCOCC2)n1	887146794	LDNBMQUVDDHZFU-UHFFFAOYSA-N	305.334	1.133	50	20	DDGD	
CCN1CCO[C@@H](C(=O)NNc2ccc(Cl)cc2F)C1	885107727	ODGYBFVVCMDKHK-GFCCVEGCSA-N	301.749	1.643	50	20	DDGD	
CCc1cnc(CNC(=O)NNc2ncncc2Cl)s1	781003118	ZAHOECYBLUCTIW-UHFFFAOYSA-N	312.786	1.975	50	20	DDGD	
COCCOc1ncccc1C(=O)NNc1ccc(OC)cn1	781526608	ZFLVQSHVCYWVIN-UHFFFAOYSA-N	318.333	1.267	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCOC3(CCC3)C2)cc1O	899218382	BFXJRCNQOJVAOD-CYBMUJFWSA-N	318.373	1.811	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=S)NC(C)(C)C)cc(O)n1	899996075	FUISQRVZDYPUAT-UHFFFAOYSA-N	310.423	1.818	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)C2(O)CCOCC2)cc1C	794647020	OMULXBNUNKYUAJ-UHFFFAOYSA-N	322.361	1.156	50	20	DDGD	
COc1cncc(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])n1	790338558	LUPDESCBWVDEIB-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1nccn1-c1ccccc1	790167199	NFPWNTRLZDMKSW-CYBMUJFWSA-N	316.361	1.374	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCCc1ccccc1N	798681984	HWESWEOBQYGZJB-LLVKDONJSA-N	321.377	1.081	50	20	DDGD	
COc1c(C(=O)NNC(=O)c2ccc[nH]2)cccc1[N+](=O)[O-]	792852599	NEVWRUZDBMSDDI-UHFFFAOYSA-N	304.262	1.006	50	20	DDGD	
CC(C)Cc1ncc(NC(=O)NNC(=O)c2ccncc2)cn1	791949115	OTCZJVGOYCJSKI-UHFFFAOYSA-N	314.349	1.537	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cncc(F)c2)c(O)c1	799234481	UFZLFPVYBLWAIT-UHFFFAOYSA-N	304.281	1.701	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cccc(OCC(N)=O)c1	791215861	DPZNYQDHLXQJCQ-UHFFFAOYSA-N	300.318	1.011	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2cccc(F)c2[N+](=O)[O-])CC1	791148010	OMZIBRLZPZDOKW-UHFFFAOYSA-N	311.269	1.520	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@H]1Cc2ccc(F)cc21	793466409	FSPZWZOBILIWHT-AWEZNQCLSA-N	316.307	1.995	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NC[C@@H]2CCC(F)(F)C2)c1	797562449	ZSNHIXKWLQTFJT-LLVKDONJSA-N	322.315	1.938	50	20	DDGD	
C[S@@](=O)c1ccc(C=NNC(=O)c2ccccc2O)cc1	1319378689	AVIMNOHEPCETIM-OAQYLSRUSA-N	302.355	1.894	50	20	DDGD	
CCO[C@H](CC)C(=O)NNC(=O)c1cncn1-c1ccccc1	1317977854	KFFSNLQQWAMHJD-CQSZACIVSA-N	316.361	1.448	50	20	DDGD	
C[C@@H]1CCC[C@]1(C)C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1324352633	QPBMPBPSZIOPGN-HWPZZCPQSA-N	304.394	1.876	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1c2ccccc2nn1C	1320366880	JVXIXHZANSMCLD-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
O=C(NNc1ncccn1)C(=O)Nc1cnc2ccccc2c1	1321360758	OYNRUBZXYYYGTN-UHFFFAOYSA-N	308.301	1.107	50	20	DDGD	
COC(=O)C(=O)NNC(=O)NC[C@H](Cc1ccccc1)C(C)C	1320621494	VMZRKWVMTGFLGS-ZDUSSCGKSA-N	321.377	1.005	50	20	DDGD	
CO[C@H](C)CCC(=O)NNC(=O)c1cncn1-c1ccccc1	1320004152	NQVSCGIKBXKVME-GFCCVEGCSA-N	316.361	1.448	50	20	DDGD	
O=C(NNC(=O)N1CCC([C@H]2CCCCO2)CC1)c1cn[nH]c1	1331312404	IYBUMARRHXTKAD-CYBMUJFWSA-N	321.381	1.045	50	20	DDGD	
O=C(CO[C@@H]1CCOC1)NNc1cc(Cl)nc(Cl)c1	1332004084	IXVIVCQQCLCMPM-MRVPVSSYSA-N	306.149	1.637	50	20	DDGD	
CNC(=O)Cc1ccccc1NC(=O)NNC(=O)C(C)(C)C	1337057963	RNTHOVMPCQUCJK-UHFFFAOYSA-N	306.366	1.174	50	20	DDGD	
O=C(NN=CC[C@H]1CCCCC12OCCO2)c1cccnn1	1330890540	NGINLJYHTROOGN-GFCCVEGCSA-N	304.350	1.516	50	20	DDGD	
COC1(OC)CCOC[C@H]1NC(=O)c1cccc(CCl)c1	1347203320	XZNAZFSKZSRIJG-CYBMUJFWSA-N	313.781	1.933	50	20	DDGD	
CO[C@H](Cc1ccccc1)C(=O)NNc1ccc(C(=O)O)cn1	1606684733	BRIZHQNNLHIHFU-CYBMUJFWSA-N	315.329	1.481	50	20	DDGD	
O=C(O)[C@H]1CCCN(S(=O)(=O)c2ccc(CCl)cc2)C1	1606449570	POEWUJYRGWYAIL-NSHDSACASA-N	317.794	1.911	50	20	DDGD	
NC(=O)[C@H]1CCC[C@H](C(=O)NNc2ccc(F)c(C(=O)O)c2)C1	1601145428	PSDDAAURVODQPX-IUCAKERBSA-N	323.324	1.259	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2coc(C3CCC3)n2)nc1	1602384038	BIOZQAOQRSYABQ-UHFFFAOYSA-N	302.290	1.792	50	20	DDGD	
Cn1cc(C=NNC(=O)Cn2ccc3ccccc32)cc1C(=O)O	1600946631	UDBBSQRBRTYCHI-UHFFFAOYSA-N	324.340	1.828	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)Cc2cncc(O)c2)cc1	1602127615	TYRIFYABMPWLPL-UHFFFAOYSA-N	301.302	1.100	50	20	DDGD	
CCCn1nccc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	1604253235	JHKAUYWSGAZLKU-UHFFFAOYSA-N	312.337	1.230	50	20	DDGD	
C/C(=C/C(=O)NNc1ccc(-c2nn[nH]n2)cn1)C(C)(C)C	1602899708	HLASRQVTQIWDHQ-CLFYSBASSA-N	301.354	1.697	50	20	DDGD	
Cc1ncc(CNC(=O)NNc2ccc(C(=O)O)c(F)c2)o1	1607980911	XZRQFKUCPALGOA-UHFFFAOYSA-N	308.269	1.647	50	20	DDGD	
Cn1ncc(Cl)c1C(=O)NNc1ccc(C(=O)O)c(F)c1	1608157948	LXFPSOCSANHWNV-UHFFFAOYSA-N	312.688	1.668	50	20	DDGD	
COCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(Cl)Cl	1802341269	NFLUHKDJIUANHW-AYMMMOKOSA-N	309.193	1.075	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1ccc(C)s1	1549316420	RVHAZYTYGXRWPB-STQMWFEESA-N	307.419	1.760	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn3c2NC[C@H](C)C3)cc1	1548615760	KTYNSVJEGXBZBL-NSHDSACASA-N	313.361	1.328	50	20	DDGD	
Cn1ccc(CCNC(=O)NNc2ccc(C(=O)O)c(F)c2)n1	1610607800	CFKNEHLOGMQAPO-UHFFFAOYSA-N	321.312	1.126	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cnc(C(=O)O)cn2)cc1Cl	1611299526	FQFQPNDWIOPPMI-UHFFFAOYSA-N	317.692	1.457	50	20	DDGD	
CCCc1cccc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)c1	1549322075	XCPMTGCMKYWQSV-IRXDYDNUSA-N	315.417	1.952	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@@H]1C=NNC(=O)c1cn[nH]c1	1552672099	DXLVCOTYPLTWIE-MFKMUULPSA-N	302.338	1.027	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H]2C[C@H](N)C23CCC3)cc(C#N)n1C	1579529800	MUCLTABJICIIJI-JQURRVOSSA-N	323.400	1.498	50	20	DDGD	
COCC[C@@H](N)C(=O)NNc1ccc(Br)c(F)c1	1573978081	NTTCZITZAJQVGB-SNVBAGLBSA-N	320.162	1.395	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CCCCCN1	1576295750	TWTYAJXJJPWJQE-DGCLKSJQSA-N	323.368	1.273	50	20	DDGD	
CN(NC(=O)c1coc(/C=C\C(=O)O)c1)C(=O)OC(C)(C)C	1574023001	SMYXBBVXSUALNL-WAYWQWQTSA-N	310.306	1.889	50	20	DDGD	
O=C(NNc1ncccc1Cl)[C@@H]1CCN[C@@H]([C@@H]2CCCO2)C1	1580743292	XTIRZCLVRJUBLJ-RTXFEEFZSA-N	324.812	1.725	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)[C@H]2CCCOC2)C1	1847030212	INELBHAOVVVAFY-WDEREUQCSA-N	318.776	1.151	50	20	DDGD	
CC[C@H](C)[C@H](O)C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1841632612	QSKQZCVAXMMIJE-DCAQKATOSA-N	320.792	1.131	50	20	DDGD	
NCc1ncc(C(=O)NNc2cc(C(F)(F)F)ccn2)s1	1580354749	FCCGBAOWVBOWLH-UHFFFAOYSA-N	317.296	1.773	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2CC[C@H](C(=O)O)CC2)n1	1599394760	ZVDXNVATWQOQJA-MGCOHNPYSA-N	308.338	1.128	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CC)C2	1841666916	XYEFPRNVZIZCLL-NEPJUHHUSA-N	316.829	1.368	50	20	DDGD	
CC(C)N1C(=O)CC[C@H]1C(=O)NNc1cccc(F)c1C(=O)O	1591605114	CFRBMOLJXYUGQG-NSHDSACASA-N	323.324	1.366	50	20	DDGD	
Cn1nc(C(=O)O)cc1/C=C(\C#N)C(=O)Nc1ccccc1F	1594568582	OLEZGGDBPJLXIL-RMKNXTFCSA-N	314.276	1.803	50	20	DDGD	
O=C(O)[C@]1(C(=O)NNc2ncccc2[N+](=O)[O-])CC=CCC1	1594866976	FPZOVAVESBOYPD-CYBMUJFWSA-N	306.278	1.244	50	20	DDGD	
CN(C)N(C(=O)[C@H]1CCSC1)c1nc(CC(=O)O)cs1	1598255927	MGTVUCRWVJOFRA-QMMMGPOBSA-N	315.420	1.333	50	20	DDGD	
CCCOCC(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1590645410	DHSGFLPSTFWZFA-UHFFFAOYSA-N	310.745	1.390	50	20	DDGD	
Cc1ncc(C(=O)NNc2ncccc2C(=O)O)c(C(C)C)n1	1594468378	VSFAFIGXFRKFHS-UHFFFAOYSA-N	315.333	1.759	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NNC(=O)C2CCCCC2)c1	15947904	UWLNNKWQUNGUFB-UHFFFAOYSA-N	324.402	1.431	50	20	DDGD	
Cn1c(=O)[nH]c2ccc(C(=O)NNC(=O)CC3CCCC3)cc21	161980577	SADUCJMEAWWQGA-UHFFFAOYSA-N	316.361	1.208	50	20	DDGD	
CCCc1nccn1CC(=O)NNC(=O)c1cccc(C)c1	158002255	IQWRECGKNLKFFE-UHFFFAOYSA-N	300.362	1.605	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1cnn(C)c1)c1ccc(F)cc1F	152499510	MFUNFDUASFCNIP-SECBINFHSA-N	322.315	1.653	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C(C)(C)C)c(-c2cccs2)n1	153662641	PDWGERKGOQLZNA-UHFFFAOYSA-N	306.391	1.956	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCc1ncccc1F	156007714	MELUDLSKDJIGPU-UHFFFAOYSA-N	318.308	1.374	50	20	DDGD	
COc1ccc(NNC(=O)C2CCN(C(=O)C(C)C)CC2)nc1	159515065	VMTHICCACFJNML-UHFFFAOYSA-N	320.393	1.428	50	20	DDGD	
N#C/C(=C/c1csnn1)C(=O)Nc1ccc(C(=O)O)cc1	207750014	UUEUYGODLLIVKH-UITAMQMPSA-N	300.299	1.782	50	20	DDGD	
O=C(Nc1cc(B(O)O)cc(F)c1F)OCc1ccccc1	1857783296	WPJPJGBXFZDYNR-UHFFFAOYSA-N	307.061	1.393	50	20	DDGD	
Cc1cc(CNS(=O)(=O)c2ccc(CCl)cc2)n(C)n1	390688776	YYAPHPYWFOFGPE-UHFFFAOYSA-N	313.810	1.946	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)CC2CCCC2)cc1	6448864	HCDBFKQMJDJXIC-UHFFFAOYSA-N	301.346	1.665	50	20	DDGD	
CC/C=C(\C)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1	170677884	UHDFISOHNZGHOE-NYYWCZLTSA-N	323.418	1.927	50	20	DDGD	
COCc1ccccc1C(=O)NNc1nc(C)cc(OC)n1	174473250	QIRNFAHUGLTQGP-UHFFFAOYSA-N	302.334	1.697	50	20	DDGD	
NC(=O)[C@@H](NNC(=O)c1cc2ccccc2o1)c1ccccc1	178669329	LPOQISCDGRMMEO-HNNXBMFYSA-N	309.325	1.894	50	20	DDGD	
O=C(CS(=O)(=O)C1CCCC1)NNc1ccc(F)cc1F	113431838	ROIHOPUYKBMOQB-UHFFFAOYSA-N	318.345	1.765	50	20	DDGD	
CN1N=C(C(=O)NNc2cc(F)c(F)c(F)c2)CCC1=O	175515801	LBQPZGKJPHXBLK-UHFFFAOYSA-N	300.240	1.155	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccccc2)CCC1)N1CCOCC1	177460402	IDORQYWSWGPPNN-UHFFFAOYSA-N	317.389	1.472	50	20	DDGD	
CC[C@H]1CCCCN1CCNC(=O)NNC(=O)c1ccccc1	113406711	RGELOHSBXBKUQD-HNNXBMFYSA-N	318.421	1.895	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)COc1ccc2c(c1)CCC2	110758411	HPLNIUDGGFPEHG-UHFFFAOYSA-N	314.345	1.047	50	20	DDGD	
N#Cc1cc(C(=O)NNc2nncc(N)c2Cl)ccc1F	1345426844	LXCHMGJWXHPOMV-UHFFFAOYSA-N	306.688	1.480	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1cccc2cnccc12	178499902	DGQCXUPEPATABX-UHFFFAOYSA-N	302.334	1.814	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1	301383039	AGKLBKVXVTYHAY-UHFFFAOYSA-N	324.340	1.440	50	20	DDGD	
CCc1ccc(C(C)(C)C(=O)NNC(=O)N2CCOCC2)cc1	175932031	LPKQLQJMEXAJFN-UHFFFAOYSA-N	319.405	1.600	50	20	DDGD	
CC[C@H](COC)NC(=O)NNC(=O)CCCc1ccccc1	129647460	FOTZRSZPBWZVEW-CQSZACIVSA-N	307.394	1.765	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)CO)c1C	125185104	ZUDQRGXDMIQFLE-LWHXSLQUSA-N	305.378	1.155	50	20	DDGD	
COC(=O)Cn1ccc(NC(=O)NNc2c(C)cccc2F)n1	184381356	BLKITQWZDJZALB-UHFFFAOYSA-N	321.312	1.652	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)/C=C/c1ccc(O)cc1	125091647	VGKOACMYWMWGJS-DHZHZOJOSA-N	312.325	1.875	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NNC(=O)C2=CCCCC2)c1	126240559	SIASKAUWURBDQN-UHFFFAOYSA-N	322.386	1.352	50	20	DDGD	
CCNC(=O)CN(CC)C(=O)/C(C#N)=C\c1ccc(O)cc1	188242595	ISDBIHHTQCPRRX-LCYFTJDESA-N	301.346	1.284	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNc2nccc(OC)n2)cc1	128863388	BGKNCCOMMSKIRC-UHFFFAOYSA-N	316.361	1.915	50	20	DDGD	
COCCC(=O)NNc1ccc([N+](=O)[O-])cc1Br	189058685	KQFSFUICNJREKT-UHFFFAOYSA-N	318.127	1.837	50	20	DDGD	
C=CCNC(=S)NNC(=O)C[C@@H](C)c1ccc(OC)cc1	78395969	QXOJDPYFAJOHBC-LLVKDONJSA-N	307.419	1.870	50	20	DDGD	
C[C@@H](NC(=O)CC(C)(C)C)C(=O)NNC(=O)NCc1ccco1	188622261	VJOUHUCOEWPMPZ-SNVBAGLBSA-N	324.381	1.051	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)Cc2cc[nH]n2)c2ccccc21	186151613	DNBNXBRSRYFVJN-UHFFFAOYSA-N	311.345	1.388	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc3ncccc23)cc(O)n1	180319500	WGEKFBPUAGRYBI-UHFFFAOYSA-N	322.324	1.719	50	20	DDGD	
Cc1[nH]c(C(=O)NNc2cccnn2)c(C)c1C(=O)OC(C)C	77031197	FZGUAGHCVFTICT-UHFFFAOYSA-N	317.349	1.744	50	20	DDGD	
C#CCOCCC(=O)NNc1nc(-c2ccc(Cl)cc2)no1	134023294	XMILKQNREMBXNN-UHFFFAOYSA-N	320.736	1.873	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2c[nH]nc2C2CC2)c1	186920010	OOILNWFHFCXDAA-UHFFFAOYSA-N	314.345	1.436	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)CNc1ccc(C)cc1C	185149933	OHYRERHRBTYAON-UHFFFAOYSA-N	321.421	1.925	50	20	DDGD	
CN(C)CC(=O)NNC(=O)CCn1ccc2cc(Cl)ccc21	89487006	OBOOKVWHRFRDDY-UHFFFAOYSA-N	322.796	1.394	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](C)Oc1ccc(OCC)cc1	192053526	HKYXAWKXNUEGKO-ZDUSSCGKSA-N	318.373	1.804	50	20	DDGD	
CC(C)(C)OC(=O)CCC(=O)NNC(=O)Cc1ccc(F)cc1	192366949	ISVYDCDYQOKRDE-UHFFFAOYSA-N	324.352	1.638	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(Cl)c(Cl)c1	49198013	IUTGRFHYUYMZNB-UHFFFAOYSA-N	320.176	1.974	50	20	DDGD	
CCSc1cc(C(=O)NNC(=O)Cc2ccncc2)ccn1	81017107	JCASXOGTUYQTSC-UHFFFAOYSA-N	316.386	1.592	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)C(=O)Nc2cc(C)nn2C)c1	131767284	QBKRKZLVIDPURS-UHFFFAOYSA-N	301.350	1.427	50	20	DDGD	
C[C@@]1(C(=O)NNc2nc(-c3ccccc3)no2)CCCNC1	237603218	UMJYKIZDUDZBHQ-OAHLLOKOSA-N	301.350	1.569	50	20	DDGD	
C=CCN1C(=O)C(=NNC(=O)c2cccnc2)c2ccccc21	254706117	KNOGMVZELSGJPT-UHFFFAOYSA-N	306.325	1.748	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCS1)c1cccc2ncccc12	266414632	DATYZFJABXWFOG-ZDUSSCGKSA-N	301.371	1.891	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H](C)c2cnn(C)c2)cc(C#N)n1C	266068125	JUBZGYUYADOIBY-LHDJSAJTSA-N	322.372	1.723	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)CC[C@H]1CCOC1	267564035	HETVCZKOHKKOIQ-LBPRGKRZSA-N	321.377	1.071	50	20	DDGD	
Cn1ccnc(NNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)c1=O	278769467	UOSCHYWQYDMNRR-HTQZYQBOSA-N	324.793	1.742	50	20	DDGD	
Cn1ccnc1[C@H]1CCCN(S(=O)(=O)CBr)C1	369338797	KNVCRSHKEGVFNQ-VIFPVBQESA-N	322.228	1.282	50	20	DDGD	
Cc1c([C@H]2OCC[C@@H]2C(=O)NNC(=O)CC(C)(C)C)cnn1C	275213307	BCCMICHLCCHFBX-FZMZJTMJSA-N	322.409	1.390	50	20	DDGD	
CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NNc1cccnn1	273148204	HGCCEMGPILFFIJ-NSHDSACASA-N	321.381	1.709	50	20	DDGD	
CN1C[C@H](C(=O)NNc2cc(Cl)cc(Cl)c2)CC1=O	276751120	DVTFPZLUUZTRCC-SSDOTTSWSA-N	302.161	1.915	50	20	DDGD	
CC(C)Cn1ncc(C(=O)NNC(=O)NC2CC2)c1C(F)F	270302301	SAWNMSGMUUAZAT-UHFFFAOYSA-N	315.324	1.583	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NNc1ccc([N+](=O)[O-])cc1	273133007	VJZAKENHZFTVSL-LLVKDONJSA-N	308.338	1.006	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC[C@H]2CCO[C@@H](C)C2)o1	273046853	FRLRFUMLFYLCLF-RYUDHWBXSA-N	309.366	1.737	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H](C(=O)NNC(=O)c2cccn2C)C1(C)C	275539854	SEYGOCJPYHVTFR-MNOVXSKESA-N	305.378	1.428	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(C(F)(F)F)cc1O	272645600	FIAHXTVFPNYHOQ-UHFFFAOYSA-N	305.256	1.717	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2CCO[C@@H](C)C2)cc1	272017679	VDOUPAWEPCEWEO-GXTWGEPZSA-N	320.389	1.590	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1cc(O)cc([N+](=O)[O-])c1	272568616	RPPMUPZUTDSWQI-UHFFFAOYSA-N	307.306	1.642	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)c2cccc(C)n2)C1	279806287	NDZCYDJLOMKTFJ-NWDGAFQWSA-N	319.361	1.130	50	20	DDGD	
CC(C)(C)OCC(=O)NNC(=O)c1ccc2c(c1)OCCO2	272074478	DBNADJIIWJZFMQ-UHFFFAOYSA-N	308.334	1.034	50	20	DDGD	
Cc1noc(C2CN(C(=O)/C(C#N)=C\c3ccc(O)cc3)C2)n1	373342547	AHMZQMDHUKZKOO-SDQBBNPISA-N	310.313	1.617	50	20	DDGD	
O=C(NNc1nnc(C2CC2)s1)[C@@H](O)CCc1ccccc1	273617508	LFSIEUSZAQHOJU-LBPRGKRZSA-N	318.402	1.852	50	20	DDGD	
C=CCS(=O)(=O)CCNC(=O)NNc1c(F)cccc1F	272888667	WOFMEPGSNVZDBC-UHFFFAOYSA-N	319.333	1.192	50	20	DDGD	
Cc1cc(S(C)(=O)=O)cc(C(=O)NNC(=O)C2CCC2)c1C	270401977	FQPGOMUMLMDZEP-UHFFFAOYSA-N	324.402	1.268	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccnc(O[C@H]2CCOC2)c1	273527820	SEILTEXFMHVHEV-NSHDSACASA-N	323.349	1.419	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCSSC	285253870	DIVSXOFKJLRKLR-UHFFFAOYSA-N	315.420	1.650	50	20	DDGD	
CC1(C)CC[C@@H]1NC(=O)NNC(=O)COc1ccc(F)cc1	288001403	LIOHTPUCWSUQNE-LBPRGKRZSA-N	309.341	1.724	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNC(=O)C2CC2)cc(C)c1Cl	282188815	YGGJYRPUKOQJNI-UHFFFAOYSA-N	309.753	1.453	50	20	DDGD	
CS(=O)(=O)c1ccc(NNC(=O)Cc2ccc(F)cn2)cc1	807118745	QPGCGQMUDZZYFS-UHFFFAOYSA-N	323.349	1.310	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NC[C@H]1COc2ccccc21	291015911	VMOIJYWNITZHKB-JTQLQIEISA-N	307.350	1.902	50	20	DDGD	
CN1C(=O)CC[C@@H]1C(=O)NNc1ccc(C(F)(F)F)cc1	807115640	CZOSVQLUXXUCNQ-SNVBAGLBSA-N	301.268	1.769	50	20	DDGD	
C=Cc1ccc(CCNC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	296935868	DTYCWYNIAIAYGL-HNNXBMFYSA-N	317.389	1.772	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCCOC2)c1C	294549778	WJOUABXTLXGHKE-MHWRWJLKSA-N	317.389	1.865	50	20	DDGD	
CC(=O)Nc1ccc(CC(=O)NNc2ncccc2F)cc1	804213288	KRDWXRXUZZRCCM-UHFFFAOYSA-N	302.309	1.865	50	20	DDGD	
Cn1cc(C(=O)NNc2cnc3ccccc3n2)c(C2CC2)n1	291642908	IYSWVVBFXJYFFD-UHFFFAOYSA-N	308.345	1.998	50	20	DDGD	
COc1nccnc1NNC(=O)C[C@@H]1COc2ccccc2O1	294870990	DDQHHGBIQDFVFO-SNVBAGLBSA-N	316.317	1.158	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)C(=O)c1ccc(Cl)cc1	295679192	XVVRDNIIAZFMJW-NSHDSACASA-N	310.737	1.239	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H]2CCCO2)c(O)nc2ccccc12	292175496	PZJUJNSQEPBNCR-LBPRGKRZSA-N	315.329	1.189	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCNC[C@](C)(F)C1	295183329	HUWTUTDZJCYSTA-AWEZNQCLSA-N	316.808	1.512	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(F)n1)n1nnnc1C(C)(C)C	804772463	JIWNORVNFDLOHP-MRVPVSSYSA-N	307.333	1.209	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1cccnc1F	807366491	DZFSNSCWUZKDEM-UHFFFAOYSA-N	316.321	1.891	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)CSC2CC2)cc1	295342724	ICHFDQUMIPDLQL-UHFFFAOYSA-N	309.391	1.150	50	20	DDGD	
O=C(NNc1ncccc1F)C(=O)Nc1cccnc1Cl	807300643	RKDKATLRNUPSIK-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
N#C[C@@]1(C(=O)NNC(=O)Cc2ccc(F)cc2)CC12CCCC2	294445248	SJQMAVDITKOHMV-QGZVFWFLSA-N	315.348	1.990	50	20	DDGD	
O=C(CN1CCC[C@H]2CCC[C@H]21)NNC(=O)c1ccc(F)cc1	299357756	RCWPTSMXHVDCCL-IUODEOHRSA-N	319.380	1.851	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@H]2CCCN2C)c1C	299531623	NIJNCJJZKQKFLV-UONOGXRCSA-N	319.405	1.312	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1ccc(COCCOC)cc1	290969971	OPGSQNKDRFZDHX-FOWTUZBSSA-N	318.373	1.910	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)C(C)(C)N2CCOCC2)o1	801143586	MIVVICHWKAVFAH-UHFFFAOYSA-N	321.381	1.224	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNc2ncccn2)cc1Cl	806983937	JKVPCCWFGIHGLD-UHFFFAOYSA-N	319.752	1.774	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNc2ccnc(F)c2)nc1	816027987	RUXKPRJTDDLQDR-UHFFFAOYSA-N	304.281	1.549	50	20	DDGD	
Cc1cc(OC(F)F)c(C(=O)NNc2cnnn2C)s1	816772193	QJUIKNUOWYDYON-UHFFFAOYSA-N	303.294	1.543	50	20	DDGD	
CCN(CC)C(=O)N1CCC(C(=O)NNC(=O)CC2CC2)CC1	819132058	XYZDKYPNZRKMLD-UHFFFAOYSA-N	324.425	1.108	50	20	DDGD	
Cc1cc(Cl)nc(CNC(=O)NNc2ncncc2F)c1	814329699	WNLDWGPAUWWYBJ-UHFFFAOYSA-N	310.720	1.799	50	20	DDGD	
CC(C)C[C@H](C(=O)NNC(=O)CC1CC1)N1CCCCC1=O	819114472	JGTBWGKAIJASKM-CYBMUJFWSA-N	309.410	1.361	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1c[nH]c(C(=O)O)c1	814812722	KFTSAEJMTNPAKM-UHFFFAOYSA-N	301.302	1.414	50	20	DDGD	
C[C@@H]1CN(C[C@@H](C)C(=O)NN=Cc2nccs2)C[C@@H](C)O1	814766935	UCIXUNJOSGWQDB-IJLUTSLNSA-N	310.423	1.339	50	20	DDGD	
CC(C)N(C)C[C@H](C)NC(=O)NNC(=O)CCc1ccccc1	811930925	LWDZQOGFOPNDBC-AWEZNQCLSA-N	320.437	1.678	50	20	DDGD	
CC(=O)N(c1nc(C=NNC(=O)CC2CC2)cs1)C1CC1	814988327	BVXXFINIRKZNQV-UHFFFAOYSA-N	306.391	1.909	50	20	DDGD	
CN(NC(=O)[C@H]1CCC[C@H](C(=O)NN(C)C2CC2)C1)C1CC1	819646266	QGQLUAIMUMRFCI-RYUDHWBXSA-N	308.426	1.044	50	20	DDGD	
Cc1cccc(C=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)c1O	814753129	OJMFORCSBYTTIO-UHFFFAOYSA-N	314.301	1.955	50	20	DDGD	
CC(C)(CO)[C@@H](NS(=O)(=O)CBr)C1CC1	810107202	ZGLXTHJUXFTRMT-QMMMGPOBSA-N	300.218	1.055	50	20	DDGD	
COC(=O)CCC[C@H]1CCCC(=NNC(=O)Cc2cc[nH]n2)C1	814955547	MAGUCIAOSMHZEK-GFCCVEGCSA-N	320.393	1.958	50	20	DDGD	
COc1ccc(NNC(=O)NCc2cnccc2OC)nc1	814418235	HQMYKQCJQMOBEQ-UHFFFAOYSA-N	303.322	1.320	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)c1cc2ccccc2o1)C1CCC1	813472265	JAAIEOCIKAZZNE-INIZCTEOSA-N	302.330	1.745	50	20	DDGD	
CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1cc(C)sc1C	728437342	QOVJQSYMJMHPID-VIFPVBQESA-N	317.436	1.143	50	20	DDGD	
CC(C)(C)c1nc(CC(=O)NNC(=O)c2ccc[nH]2)cs1	726768005	HSWLXENLAHCFQT-UHFFFAOYSA-N	306.391	1.772	50	20	DDGD	
C[C@H](CC(=O)O)C(=O)NNC(=O)c1ccc(Cl)cc1F	827304340	RWPWSBSGPMQPAN-ZCFIWIBFSA-N	302.689	1.351	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCC(C)(C)c1cccnc1	826979293	LADULJRNPISMIB-DGCLKSJQSA-N	320.393	1.115	50	20	DDGD	
O=C(NNc1ccccc1Cl)c1cnc2n(c1=O)CCS2	727870067	YCSVYNDSZRLZLY-UHFFFAOYSA-N	322.777	1.759	50	20	DDGD	
CCCO[C@@H](C(=O)NN(C)[C@H](C)CO)c1ccc(F)cc1C	823384703	RSBRVKFRXYLOCR-IUODEOHRSA-N	312.385	1.946	50	20	DDGD	
CCN(CCO)NC(=O)Cc1csc(-c2ccccn2)n1	823838899	XUFOGOXRGRRLPN-UHFFFAOYSA-N	306.391	1.093	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cccc(OCC(F)(F)F)c1	823947066	SDIIEWGIFLLAKH-VIFPVBQESA-N	306.284	1.585	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(C)cnc1Br	496396109	BQBDGGULZXUCIR-UHFFFAOYSA-N	303.116	1.545	50	20	DDGD	
CC(C)CN(C)C(=O)NNC(=O)c1cc(Br)c[nH]1	728942350	PHYLSTAEQPMFCG-UHFFFAOYSA-N	317.187	1.719	50	20	DDGD	
C[C@@H](CC(=O)O)C(=O)NNC(=O)c1cc(-c2ccccc2)on1	827304090	ORMWYKVUDDSCLN-VIFPVBQESA-N	317.301	1.213	50	20	DDGD	
CC(=O)NC1CCC(NC(=O)NNC(=O)CC(C)(C)C)CC1	728596538	JYOMBXOIECBXOE-UHFFFAOYSA-N	312.414	1.200	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@H](C(=O)OC(C)(C)C)C1CCCC1	823913336	RXPICGXBXXKREP-WCQYABFASA-N	314.426	1.478	50	20	DDGD	
CCCN(NC(=O)[C@H]1NC(=O)O[C@H]1C)C(=O)OC(C)(C)C	496439443	AAXGGGSWYGEATE-IUCAKERBSA-N	301.343	1.162	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Cc2cccnc2)c1OC	728852264	XNCRVCZJEGYCEF-UHFFFAOYSA-N	315.329	1.103	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1	495826306	VPODNZLKHFCYEA-ZDUSSCGKSA-N	306.366	1.023	50	20	DDGD	
CC(C)COC(=O)[C@H](C)NC(=O)/C(C#N)=C/c1cnn(C)c1	491105396	QCGORKZIJGKIIZ-CBJCJLNRSA-N	304.350	1.031	50	20	DDGD	
C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)/C(C#N)=C/c1cnn(C)c1	491088169	YTELTYGPAYGRMS-SCNXCLFWSA-N	313.405	1.412	50	20	DDGD	
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NN(C)[C@H](C)CO	823983091	KVOQSAYXZQVHAI-SNVBAGLBSA-N	322.796	1.792	50	20	DDGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2cn(C)nn2)cc1	490692984	IASRCUULNGXKSO-JYVXZMADSA-N	311.345	1.608	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)C2(C)CCC(=O)CC2)c1	823875713	GPURJILOPJHVCR-UHFFFAOYSA-N	317.389	1.663	50	20	DDGD	
C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cccc(B(O)O)c1	584960061	GOEQCPHDHWBSHT-GUYCJALGSA-N	309.174	1.385	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)c1cc(-c2nn[nH]n2)cs1	823281746	XYAWOJMQTFXPQU-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(C(C)C)nc2onc(C)c12	495823758	FDHCHIKCOPKZJI-UHFFFAOYSA-N	306.322	1.998	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc(F)c(Cl)c1	823473232	AZZZDAIKOMUJQT-POYBYMJQSA-N	301.705	1.060	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1CCN(C)[C@@H]1C)c1ccccc1	825797289	TWTVFOAOVFBSTP-VHDGCEQUSA-N	303.406	1.668	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC2(CCC2)[C@@H]1C1CCOCC1	823660127	FPYXXLSUPJHBNB-DOMZBBRYSA-N	323.437	1.213	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1cccc2ccncc12	901887618	RTCYDHJJEFHAQC-UHFFFAOYSA-N	321.402	1.981	50	20	DDGD	
Cn1cc(C(=O)NNC(=S)Nc2ccc(Cl)nc2)cn1	735417245	RMKZYRGBSZSYFD-UHFFFAOYSA-N	310.770	1.100	50	20	DDGD	
CC(C)(CC(=O)O)CC(=O)NNc1ccc(C(F)(F)F)nn1	833455387	BWDZXIGJPPKWIN-UHFFFAOYSA-N	320.271	1.830	50	20	DDGD	
Cn1cc(C(=O)NNc2cccc3c2CCCC3)n(C)c1=O	901164849	MCJGBXFPONRYQJ-UHFFFAOYSA-N	300.362	1.360	50	20	DDGD	
C=CC(C)(C)CNC(=O)NNC(=O)Cc1ccccc1OC	836593345	OMXJERFGLACOOA-UHFFFAOYSA-N	305.378	1.780	50	20	DDGD	
C[C@H](NC(=O)[C@@]1(C)C[C@H]1Br)C(=O)N1CCCC1	907962922	QCCYKRGRCJPHTJ-SBMIAAHKSA-N	303.200	1.287	50	20	DDGD	
C[C@H]1CCC[C@H](CNC(=O)NNC(=O)N=c2cc[nH]cc2)C1	837826467	LFOZSXAWUBMMAV-RYUDHWBXSA-N	305.382	1.666	50	20	DDGD	
CC1(C)COc2cc(NCc3ccc(B(O)O)cc3F)ccc21	585049023	IYTNCEQEGWRLBU-UHFFFAOYSA-N	315.153	1.788	50	20	DDGD	
O=C(c1ccc(F)cc1OC(F)F)N1CC[C@@H](B(O)O)C1	585070770	FKFXANTTYFWGMN-SSDOTTSWSA-N	303.045	1.116	50	20	DDGD	
CCOC(=O)C1(CNC(=O)[C@]2(C)C[C@@H]2Br)CC1	907450635	LSRJTGQQJIABDQ-GZMMTYOYSA-N	304.184	1.619	50	20	DDGD	
COc1ccc(C=NNC(=O)c2cnccn2)c(Cl)c1OC	730433244	JJGUPSNIQKHWOZ-UHFFFAOYSA-N	320.736	1.911	50	20	DDGD	
OB(O)c1cccc(CNC[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1	585025961	HCPDZSJMCRPNAX-DGCLKSJQSA-N	315.144	1.825	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNC(=O)c1ccc(CC)cc1	836604262	FYCPRBSZAJGPLM-KGLIPLIRSA-N	303.362	1.537	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCC[C@@H](F)C1	902995963	PXZWTLJVKZXNMF-CQSZACIVSA-N	307.369	1.119	50	20	DDGD	
O=C(NNc1ncccc1Cl)[C@H]1CCCN(C(=O)C2CC2)C1	734247279	AZLXQMDCDZUGLM-NSHDSACASA-N	322.796	1.827	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CC(C)(C)C[C@H]2C)c1	839658442	NSCLUGIDSYVXLV-CYBMUJFWSA-N	303.406	1.876	50	20	DDGD	
C[C@@H](c1ccccc1)N1CC[C@H](NS(=O)(=O)CCl)C1	830160546	DCHPVLPEFYIJCK-AAEUAGOBSA-N	302.827	1.938	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H](NC(=O)NNc2ccc(Cl)c(F)c2)C1	838728225	MWTLZLVQDBSWTC-SFYZADRCSA-N	314.748	1.759	50	20	DDGD	
C[C@@H](C[C@@H](C)N)NC(=O)NNC(=O)Nc1cc(F)cc(F)c1	831224046	VOYISYZGVZDXCD-SFYZADRCSA-N	315.324	1.426	50	20	DDGD	
OB(O)c1ccccc1CN[C@H](c1ccc(F)cc1F)C1CC1	585027140	XLKDBQPNJZOXKV-KRWDZBQOSA-N	317.144	1.886	50	20	DDGD	
CCOC(=O)C(C)(C)ONC(=O)[C@]1(C)C[C@@H]1Br	912268210	KGOMBLPNEVOIFH-WRWORJQWSA-N	308.172	1.549	50	20	DDGD	
Cc1ccc(C(=O)NN=C2C(=O)Nc3cc(O)ccc32)c(O)c1	917548133	BLMCUHZWBKQNJL-UHFFFAOYSA-N	311.297	1.492	50	20	DDGD	
COc1cc2c(cc1F)C(=NNC(=O)[C@H]1CCCCO1)C(=O)N2	834986318	UFZNHJYGMDVCSB-LLVKDONJSA-N	321.308	1.176	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1	830167025	FLNOAMQVIBIPGZ-VHSXEESVSA-N	308.338	1.191	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	831944046	OHNUDJQVRNPNDA-NSHDSACASA-N	309.322	1.383	50	20	DDGD	
CNC(=O)c1ccc(C=NNC(=O)CNc2ccc(C)cc2)cc1	912783710	TXNWILMRVYBNJU-UHFFFAOYSA-N	324.384	1.917	50	20	DDGD	
COCC1(CNC(=O)NNC(=O)CC(F)(F)F)CCCC1	838724733	WWQULZGIYNZOHF-UHFFFAOYSA-N	311.304	1.476	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1ccc([N+](=O)[O-])o1	916296364	IQBJPPLELONOKB-UHFFFAOYSA-N	319.273	1.726	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NCC2CC2)c(O)nc2ccccc12	749356564	DSZZIXKPASGVMJ-UHFFFAOYSA-N	314.345	1.603	50	20	DDGD	
COc1ccc(C(=O)NN(C)C[C@@H](C)O)c(Br)c1	910165828	ODAXRUTXVDEOTF-MRVPVSSYSA-N	317.183	1.415	50	20	DDGD	
CC(C)Cc1ccc(CC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	843644176	ONEMACKWHBKUMQ-CZUORRHYSA-N	318.417	2.000	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CNC2(C3CCC3)CC2)n1	844416540	AEFMMRCWLICRRE-UHFFFAOYSA-N	322.434	1.064	50	20	DDGD	
CCC(CC)[C@@H](C)C(=O)NNc1ccccc1S(N)(=O)=O	842261329	JNIMVMRRSYXWPJ-SNVBAGLBSA-N	313.423	1.849	50	20	DDGD	
COCCOC[C@H](C)NC(=O)NNc1cccc([N+](=O)[O-])c1	745864624	UFGPFDOFGCWVFP-JTQLQIEISA-N	312.326	1.272	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NC[C@H]1NCCc2ccccc21	841994925	FQGUNXTYCSDIMZ-CQSZACIVSA-N	318.421	1.640	50	20	DDGD	
CO[C@@]1(C=NNC(=O)C(=O)Nc2ccc(C)c(C)c2)CCOC1	841614823	ROEGBOWMFXSWKW-MRXNPFEDSA-N	319.361	1.149	50	20	DDGD	
C[C@H](CCN)NC(=O)NNC(=O)c1ccc(Cl)cc1Cl	841968530	ZMVDKQMUWARSSR-SSDOTTSWSA-N	319.192	1.675	50	20	DDGD	
CO[C@@H](C=NNC(=O)[C@H]1COc2ccccc2O1)CC(C)C	841604011	JZHFCKPCXSBLCM-IUODEOHRSA-N	306.362	1.990	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(Oc2ccccc2)nc1	910171117	UINLBPUNNIFSTI-LBPRGKRZSA-N	301.346	1.831	50	20	DDGD	
CC(=NNC(=O)NC(C)C)c1ccc(OCC(=O)N(C)C)cc1	745013324	VVQJWJACQPBRLV-UHFFFAOYSA-N	320.393	1.585	50	20	DDGD	
CCC(=NNC(=O)CNC(=O)c1cccs1)[C@@H]1CCOC1	741839738	PJDYOSLOUSAUNR-SNVBAGLBSA-N	309.391	1.397	50	20	DDGD	
CCC(N)(CC)CNC(=O)NNC(=O)CCc1ccccc1	841952411	SQIJXTBMOOZTEM-UHFFFAOYSA-N	306.410	1.467	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Br)c1cn[nH]c1	916094885	FRYCDCIVRRSVCY-UHFFFAOYSA-N	309.123	1.247	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)N[C@H]1CCCNC1	841943231	IKUZPNAUDYVLRN-AWEZNQCLSA-N	304.394	1.092	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cnnn1-c1ccccc1Cl	748706785	IVFZNCXZIFRDAI-UHFFFAOYSA-N	321.768	1.728	50	20	DDGD	
C[C@H](CCCCN)NC(=O)NNC(=O)CCOc1ccccc1	841996938	VHPXPCWTESOETP-CYBMUJFWSA-N	322.409	1.303	50	20	DDGD	
COc1cc(/C=C(\C#N)S(C)(=O)=O)ccc1OCC(=O)O	916132766	OKJHYUZGZNJYEH-BJMVGYQFSA-N	311.315	1.068	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC2CCC(N)CC2)c1	841944961	VHBORVOXXXZDLS-UHFFFAOYSA-N	306.366	1.369	50	20	DDGD	
N#Cc1cccc(NNC(=O)NCCOc2ncccc2F)c1	747450120	LTPQLIFIXMLUGZ-UHFFFAOYSA-N	315.308	1.797	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)C1	843842344	OVSGPZGYGGMVHI-QMMMGPOBSA-N	318.358	1.268	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CCc2ccccc2C1	740762744	FZKUMWMEPSCWBQ-UHFFFAOYSA-N	301.390	1.952	50	20	DDGD	
CCC(C)(C)OCC(=O)NNc1ncc(Br)cn1	848322700	LJZMAGDMCRXBRS-UHFFFAOYSA-N	317.187	1.887	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1C[C@H](C)S[C@H](C)C1	744414535	ZMASTDZAQWRFGQ-GRYCIOLGSA-N	301.456	1.394	50	20	DDGD	
COc1ccc2c(c1)[C@H](C(=O)NNC(=O)c1ccc[nH]1)CCC2	847298813	VXZDUXTZTNXZRL-CYBMUJFWSA-N	313.357	1.904	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1c(F)cccc1F	910845668	MRHKCBZVAULNAT-UHFFFAOYSA-N	324.258	1.944	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCC[C@H]1CC1(Cl)Cl	845666065	BDWQNJSUJCNYDI-QMMMGPOBSA-N	312.197	1.327	50	20	DDGD	
C[C@H](Cc1ccc(F)cc1)C(=O)NNc1ncnc2[nH]cnc12	743473217	LNASIVCKFVXRAP-SECBINFHSA-N	314.324	1.814	50	20	DDGD	
COc1cc(NNC(=O)NC[C@H]2COCO2)ccc1Cl	923850294	MSOUCRBDGGKWDX-VIFPVBQESA-N	301.730	1.348	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCN(C)C1CCCCC1	843972197	TXPFGWCRRLWRFC-TZMCWYRMSA-N	311.426	1.213	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCc2sccc21)c1ncccn1	841350612	OHIBFXNRYZUODM-JTQLQIEISA-N	302.359	1.419	50	20	DDGD	
CSCCC=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1	755588242	OTUBXXMWPNKKFN-RWMBFGLXSA-N	301.456	1.587	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCONC(=N)CN1CCOCC1	853667441	CFTOXAQDRYVPKR-UHFFFAOYSA-N	317.506	1.839	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ccc(Cl)cn2)CCC1	856091888	XBVNMDUHCSUDIE-UHFFFAOYSA-N	303.771	1.145	50	20	DDGD	
COCCOC[C@H](C)NC(=O)NNc1ccc(F)c(F)c1	920487643	GMFMQPDXUVPJQG-VIFPVBQESA-N	303.309	1.642	50	20	DDGD	
CC1(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)CCC1	750533753	SNBSCLKKXZSXLO-UHFFFAOYSA-N	324.764	1.834	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)COc1ccccc1F)C1CCC1	756050694	LLXLKRIAJKEAFL-SNVBAGLBSA-N	309.341	1.724	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)N[C@@H](c1ccccc1)C1CCC1	858191425	SDCYTNAUCANXQV-AWEZNQCLSA-N	313.361	1.895	50	20	DDGD	
CC(C)[C@H](CO)ONC(=O)NC[C@@]1(C)C[C@H]1Br	856960441	PHRMTEREKJFMCE-IQJOONFLSA-N	309.204	1.408	50	20	DDGD	
CC1(C)CCC[C@@H](C=NNC(=O)[C@H]2CCS(=O)(=O)C2)C1	752724038	QQVBXRZZNIWQCO-NEPJUHHUSA-N	300.424	1.740	50	20	DDGD	
NC(=O)c1ccc(CC(=O)NNc2cccnc2Cl)cc1	754261898	OVFCZCFLZVSURD-UHFFFAOYSA-N	304.737	1.520	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=C1CCn2cccc21	853410015	YTLYORONHXDJOY-UHFFFAOYSA-N	304.394	1.655	50	20	DDGD	
COCc1nc(C)c(C(=O)NNc2nccc(OC)n2)s1	758368260	QRFGMWWXXRSUEX-UHFFFAOYSA-N	309.351	1.153	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cnn(C(C)(C)C)c1)C1CC1	855103110	QRTWGYFHXVYMAD-VIFPVBQESA-N	309.439	1.546	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@]1(C)CCN(C(=O)OC(C)(C)C)C1	856506539	OVLPZABMUCNCMS-UILAEWCASA-N	323.393	1.946	50	20	DDGD	
COc1cc(C(=O)NC[C@]2(C)C[C@@H]2Br)nn1C	857390337	DOHUTRXGIWBIMQ-KWQFWETISA-N	302.172	1.332	50	20	DDGD	
CCC[C@@H](O)CC(=O)NNc1ccccc1S(C)(=O)=O	750422942	BPKCYEZYJTVABE-SNVBAGLBSA-N	300.380	1.084	50	20	DDGD	
COc1cccc([C@@H](C)CC(=O)NNC(=O)c2cc[nH]n2)c1	855357452	JUCGPGKRSQANNY-JTQLQIEISA-N	302.334	1.373	50	20	DDGD	
COC(=O)c1cccc(NC(=O)NNC(=O)CC(F)(F)F)c1	755841811	NPHJTTMSIQLDKK-UHFFFAOYSA-N	319.239	1.578	50	20	DDGD	
O=C(NN=C1COc2ccc(F)cc21)C(=O)Nc1ccccn1	758390232	OCDQDQUEDNHSIV-UHFFFAOYSA-N	314.276	1.072	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2cn(C)nc2C)o1	755673940	MPEFFIYHTQNRQM-UHFFFAOYSA-N	317.393	1.927	50	20	DDGD	
Cc1cccc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c1C	853387908	TVRLWJYDYJJEQZ-CVEARBPZSA-N	301.390	1.617	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)OCC2CC2)cc1C	920773564	RUEAHVLFXNJGPS-CYBMUJFWSA-N	320.389	1.645	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C(C)(C)SC)cc1	854510594	PWDOGKJCGIRTOL-UHFFFAOYSA-N	310.419	1.917	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1nncc2ccccc12	929429930	SUCGZUSIAWCRIQ-UHFFFAOYSA-N	303.391	1.537	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1ccc(Cl)cn1)C1CCCC1	856095647	QTYDBFXIOSEAEV-CYBMUJFWSA-N	310.785	1.873	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N(C)CC1=CCCOC1	852085787	ICBCWJCOPZMLTH-UHFFFAOYSA-N	319.361	1.328	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1C(=O)NNC(=O)c1ccc(C)o1	755360400	AQIHLYZCFCMHBF-UHFFFAOYSA-N	319.273	1.580	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccccc1OCC#N)C1CC1	855101485	ADLFXZPXFPGZOL-JTQLQIEISA-N	318.402	1.496	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CCO[C@H](C(C)C)C2)nc1	935108458	VGNVQPKWVZDKPX-YPMHNXCESA-N	321.377	1.763	50	20	DDGD	
C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)CBr	758537050	CVZRTJUSLGLBNT-VIFPVBQESA-N	313.261	1.331	50	20	DDGD	
CCS(=O)(=O)N[C@@H](C)C(=O)NNc1cc(F)cc(Cl)c1	855619865	GDWKOESNCFBXFD-ZETCQYMHSA-N	323.777	1.250	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=C(C)Cn1cncn1	853266739	QEFIQLBFKWLXDK-UHFFFAOYSA-N	301.350	1.412	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCc2ccon2)c1C	855624415	NDLAASDCIIMBCG-UHFFFAOYSA-N	303.318	1.846	50	20	DDGD	
CN(C)C(=O)CN1CCN(/C(=C\C#N)c2ccc(F)cc2)CC1	750791030	KJWRVSFTGLMMLY-APSNUPSMSA-N	316.380	1.396	50	20	DDGD	
CC(C)N1CCC(NC(=O)NNc2ncc(Cl)cn2)CC1	856830580	PXDVUNLXLCWZGZ-UHFFFAOYSA-N	312.805	1.629	50	20	DDGD	
O=C(NCC[C@H](O)c1ccccc1)NNC(=O)C1CCCC1	753355670	RGTZYTVUCVYJDZ-AWEZNQCLSA-N	305.378	1.631	50	20	DDGD	
O=C(NN=C1c2ccccc2CC12CCOCC2)c1cn[nH]c1	863153969	JNRQNTQWEXYKLX-UHFFFAOYSA-N	310.357	1.897	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)Oc1cccnc1[N+](=O)[O-]	866393897	NJVBBZUAOWFUNF-UHFFFAOYSA-N	308.743	1.963	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2ccc(C3CCC3)cc2)n[nH]1	869015000	DNTVFALPFVMQFM-UHFFFAOYSA-N	312.373	1.989	50	20	DDGD	
O=C(NN=Cc1cn(-c2ccc(F)cc2)nn1)[C@H]1CCCCO1	863116482	QXOWLMWULTZJFE-CQSZACIVSA-N	317.324	1.426	50	20	DDGD	
O=C(NNC(=O)c1coc(C2CCOCC2)n1)NC1CCCC1	767756167	ZCFROQKKBPBPAS-UHFFFAOYSA-N	322.365	1.455	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@H]1Cc2ccccc2O1	863091073	MJFRHXNWQFZFFN-SECBINFHSA-N	310.222	1.809	50	20	DDGD	
COC(=O)c1cc(F)cc(C(=O)NNC(=O)C2CCCC2)c1	930133877	NFGLAIAIVDWFMS-UHFFFAOYSA-N	308.309	1.564	50	20	DDGD	
CC[C@]1(C(=O)NNC(=O)c2cccc(Cl)c2)CCNC1=O	864474202	LPDSJDWALJTIBS-AWEZNQCLSA-N	309.753	1.017	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc2ccn(C)c2c1	867162021	AKHUCXRKLWRMHI-UHFFFAOYSA-N	322.459	1.650	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)N(C)NC(=O)OCc1ccccc1	862289940	IZCVIMKGCVIMIW-UHFFFAOYSA-N	322.361	1.876	50	20	DDGD	
CCNc1ncc(C(=O)NNc2ccc(C(=O)OC)cn2)s1	760784630	FEAPNDIVUZGALC-UHFFFAOYSA-N	321.362	1.513	50	20	DDGD	
COc1ccccc1C1(C(=O)NNc2ncc(F)cn2)CC1	760907914	HKQBEPMNTRJLIE-UHFFFAOYSA-N	302.309	1.799	50	20	DDGD	
CO[C@H]1COCC[C@@H]1CNS(=O)(=O)CC(C)(C)CCl	867344029	CNMGGEJAXRIYJI-MNOVXSKESA-N	313.847	1.222	50	20	DDGD	
CN(C)C(=O)Nc1cccc(C(=O)NNc2ncc(F)cn2)c1	760908857	WGHMQLWIIUAXTC-UHFFFAOYSA-N	318.312	1.466	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccccc1OC1CCC1	869909791	JKYQEAUUAUUQFZ-UHFFFAOYSA-N	322.361	1.042	50	20	DDGD	
C[C@H](NNC(=O)Cn1ccc(C(F)(F)F)n1)C(F)(F)F	862304667	QXGIDARJIQKZMH-YFKPBYRVSA-N	304.194	1.474	50	20	DDGD	
CC(=O)N1CCc2c(NC(=O)NNC(=O)C3CC3)cccc21	769255464	YLHDNZUYEGPXFE-UHFFFAOYSA-N	302.334	1.158	50	20	DDGD	
CCCCN(C)c1ccc(C(=O)NNC(=O)c2cn[nH]c2)cc1	862474241	HIVOJRBNLCYSEZ-UHFFFAOYSA-N	315.377	1.721	50	20	DDGD	
Cc1ccn2ncc(C(=O)NNC(=O)Cc3cccnc3)c2c1	766840187	LWJNNODUQJUKPB-UHFFFAOYSA-N	309.329	1.041	50	20	DDGD	
CCCCN(C)S(=O)(=O)NNC(=O)c1cc(C)cs1	863414415	VOVODVXPTCIDJU-UHFFFAOYSA-N	305.425	1.268	50	20	DDGD	
CCCC(=O)Nc1ccc(O)c(C(C)=NNC(=O)COC)c1	761820380	WWWFNIGCFZBSNX-UHFFFAOYSA-N	307.350	1.617	50	20	DDGD	
C[C@@H](NNC(=O)c1ccnc(N2CCCCC2)n1)C(F)(F)F	862313792	OKXUHGYIZWTNLP-SECBINFHSA-N	317.315	1.652	50	20	DDGD	
O=C(c1ccc(OC2CCCC2)cc1)N1CC[C@@H](B(O)O)C1	864234571	SWRWBXHJMZXEMG-CYBMUJFWSA-N	303.167	1.697	50	20	DDGD	
CC(=O)N[C@@H](CC(C)C)C(=O)NNCC(F)(F)C(F)(F)F	863100608	UBRRLUIQARZTSC-QMMMGPOBSA-N	319.274	1.356	50	20	DDGD	
COC1(C=NNC(=O)COCc2ccccc2)CCOCC1	761810166	OTZMKCGJWJRQLX-UHFFFAOYSA-N	306.362	1.501	50	20	DDGD	
Cc1cccc2nc(C(=O)NNC(=S)N[C@H](C)C3CC3)cn12	1118763860	JSCDCNKPRYKBJB-SNVBAGLBSA-N	317.418	1.550	50	20	DDGD	
CCCCCCCNC(=O)NNC(=O)Cn1nc(C)cc1C	875765245	ITFOVHUBVKWZFC-UHFFFAOYSA-N	309.414	1.801	50	20	DDGD	
C=COc1ccc(NC(=O)NNC(=O)C2CCOCC2)cc1	879873552	ARNJYNUQEGMJRH-UHFFFAOYSA-N	305.334	1.788	50	20	DDGD	
CC1=NO[C@H](CNC(=O)NNc2cc(F)c(F)cc2F)C1	875973527	FOQLKYPDVLJYAG-ZETCQYMHSA-N	302.256	1.895	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NN=C1CCC[C@H]1F	872387050	DPRGLKPMRDDSAF-NQBHXWOUSA-N	308.357	1.882	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2cccnc2)nc1C	778421728	GAKFFGXWZQAQPY-UHFFFAOYSA-N	301.306	1.114	50	20	DDGD	
COC(=O)C1CCC(NC(=O)NN=c2cc[nH]c(C)c2)CC1	875251066	OBAMTDXMFSGLBP-UHFFFAOYSA-N	306.366	1.170	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@@H](C)N(C)c2ccccc2)cc[nH]1	875072331	VDTGUIPTTAFXRC-CQSZACIVSA-N	313.405	1.963	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cnc(O)c([N+](=O)[O-])c1	772890744	JVIIOYSLBOHKLQ-UHFFFAOYSA-N	318.293	1.366	50	20	DDGD	
CON(C)C(=O)[C@@H](C)NC(=O)NNc1cc(F)cc(Cl)c1	875906132	CCVDTEXFLNDJCH-SSDOTTSWSA-N	318.736	1.514	50	20	DDGD	
CC(C)(C)c1nnc(NC(=O)NNc2ncc(F)cn2)s1	775544418	QQJFIIBURNMVMK-UHFFFAOYSA-N	311.346	1.913	50	20	DDGD	
CCn1nncc1CNC(=O)NNc1ccc(Cl)c(F)c1	875766509	UQAGSICQZBYVOO-UHFFFAOYSA-N	312.736	1.917	50	20	DDGD	
COCC1(C(=O)NNC(=S)Nc2ccccc2OC)CCC1	873768666	AGCGMPBYRYVTNC-UHFFFAOYSA-N	323.418	1.830	50	20	DDGD	
CCN(CC)C[C@H](C)NC(=O)NNc1nncc(N)c1Cl	1116299912	LPVREYZICOQIDV-QMMMGPOBSA-N	315.809	1.069	50	20	DDGD	
CN(NC(=O)CCCNC(=O)c1cccnc1)c1ccccc1	772374160	DUWQCRWDAFCLJS-UHFFFAOYSA-N	312.373	1.759	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H]1CCn2cncc2C1	772859766	IDZYDAPYDXUCRC-LLVKDONJSA-N	300.366	1.502	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@H]1CC[C@@H](C)C1	776337209	XQPAFQVZLJQPCT-VXGBXAGGSA-N	306.362	1.658	50	20	DDGD	
C=CCOc1cccnc1C(=O)NNC(=O)c1cccn1C	775137664	WXURMJQVSLKQMX-UHFFFAOYSA-N	300.318	1.060	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(C)n(-c2ccccc2Cl)n1	776704314	ARKDUNSINDSUAD-UHFFFAOYSA-N	321.768	1.798	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H]1CCN(c2ncccc2F)C1	881983039	QAYFATLPQXHKFU-SNVBAGLBSA-N	321.805	1.348	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1ccc(-n2cccc2)cc1	782478171	IGQLHPOJTNOPMI-UHFFFAOYSA-N	322.390	1.332	50	20	DDGD	
CNC(=O)NNC(=O)Cc1csc(NC2(C)CCCC2)n1	1123604916	SWHRVVJPVRPCIS-UHFFFAOYSA-N	311.411	1.390	50	20	DDGD	
CC(=NNC(=O)c1ccc[nH]1)c1ccc(N2CCNC2=O)cc1	782179592	OJFVVZYALRXVQO-UHFFFAOYSA-N	311.345	1.698	50	20	DDGD	
CCc1ccccc1NC(=O)C(=O)NNc1ncc(F)cn1	784957802	UIGAYOOLRBFKNH-UHFFFAOYSA-N	303.297	1.260	50	20	DDGD	
COc1cc(C(=O)NN=c2cc[nH]cc2)cc(OC)c1OC	780761754	ANJCJLCHEKMOFL-UHFFFAOYSA-N	303.318	1.286	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC(=O)c2ccccc21)c1cccnc1	785669923	KUJJMPMFRYIGPZ-CQSZACIVSA-N	309.325	1.603	50	20	DDGD	
COC(=O)[C@@H](C)Oc1ccc(C=NNC(=O)C(F)F)cc1	782237828	OETHKLFSIUHDIL-MRVPVSSYSA-N	300.261	1.342	50	20	DDGD	
CN(C)c1nc(N)nc(COC(=O)/C(C#N)=C\c2ccccc2)n1	785376340	MJOGTOJKIPSQFU-WQLSENKSSA-N	324.344	1.170	50	20	DDGD	
CCOc1ccccc1NC(=O)C(=O)NNc1ncc(F)cn1	784949071	CSRRMVKPQLHRTC-UHFFFAOYSA-N	319.296	1.096	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@@H]1CCS(=O)(=O)C1	781068846	QPTJXKPLBGPHBY-HTQZYQBOSA-N	312.229	1.099	50	20	DDGD	
CCn1ncc(Cl)c1C(=O)NNC(=S)NC(C)(C)C	899999833	YBFULXZRNGKMAD-UHFFFAOYSA-N	303.819	1.464	50	20	DDGD	
CCOC(=O)N(C)CCCC(=O)NNc1ccc(Cl)nn1	896438609	MKFGRZCWPLBIDG-UHFFFAOYSA-N	315.761	1.442	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COc2cccc(C#N)c2)n1	794090545	WINWXHONMLBNRK-UHFFFAOYSA-N	310.313	1.102	50	20	DDGD	
CCOCC(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N	794908132	ADZUYJPKQXRPPY-UHFFFAOYSA-N	301.350	1.250	50	20	DDGD	
C=C(CBr)COC(=O)CCNC(=O)c1ccco1	795358203	KTYDPEDAKOXJQS-UHFFFAOYSA-N	316.151	1.894	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1cnc2c(F)cccc2c1	794198059	AYUUAUHXPVGIHK-UHFFFAOYSA-N	310.288	1.844	50	20	DDGD	
Cc1noc(C2CCC(=NNC(=O)c3cnccn3)CC2)n1	797402069	SQSXZRUKSHDONC-UHFFFAOYSA-N	300.322	1.612	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cnc(-c2ccccc2)[nH]1	791241990	BSGVRQLNBWFXFL-UHFFFAOYSA-N	319.328	1.876	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1NCC(=O)NNC(=O)c1ccc(C)cc1	794575368	GFJLRRZLJOHPCU-HIFRSBDPSA-N	303.406	1.924	50	20	DDGD	
COc1ncccc1NC(=O)NNC(=O)c1cccc(C)n1	794752347	UGNLVJCNWPNPDZ-UHFFFAOYSA-N	301.306	1.260	50	20	DDGD	
CN(C)N(C(=O)[C@H]1CCCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1	799863039	MVRFYZSSRSOVPA-WDEREUQCSA-N	324.393	1.304	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccc2cc[nH]c2n1	798314205	BEPMPAPDTIEPNP-UHFFFAOYSA-N	301.228	1.069	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc3ccccc3n2)o1	794200293	ZGMPKBDSVMHKSJ-UHFFFAOYSA-N	306.281	1.774	50	20	DDGD	
Cc1ccn(-c2cccc(C(=O)NNC(=O)c3cccn3C)c2)n1	1318242517	MNKIDDKNOVCDRC-UHFFFAOYSA-N	323.356	1.594	50	20	DDGD	
COc1cc(C=NNC(=O)C(=O)Nc2ccccn2)ccc1F	1319479881	VYZWLWXVISHEJS-UHFFFAOYSA-N	316.292	1.318	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ncoc2C(F)(F)F)n1	1329044940	RPYSRWMROCKADL-UHFFFAOYSA-N	322.634	1.476	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCc2ccc(C#N)cc21	1320212835	SUJUMCAPLXKYTD-LBPRGKRZSA-N	314.389	1.503	50	20	DDGD	
COc1nc(Cl)c(/C=C(\C#N)C(=O)[C@@H]2CCCOC2)n1C	1321543196	YQEQRPJGUUXDDM-ZFZMKPAXSA-N	309.753	1.985	50	20	DDGD	
Cc1nnc(CNC(=O)NNc2ccc3c(=O)[nH]ccc3c2)o1	1322793945	NFQFNWIQQQRVCN-UHFFFAOYSA-N	314.305	1.046	50	20	DDGD	
Cn1ncc([N+](=O)[O-])c1C(=O)NNc1nccnc1C1CCC1	1322607989	OBSKRUFHRUKGHG-UHFFFAOYSA-N	317.309	1.143	50	20	DDGD	
C[C@H]1CSC[C@@H]1NC(=O)NNc1nncc(N)c1Cl	1326581132	MAWJPCBJTADUSX-FSPLSTOPSA-N	302.791	1.090	50	20	DDGD	
CO[C@@H]1CCOC[C@H]1NC(=O)NNc1ccc(C(C)(C)C)nn1	1334348084	XSAAZASDNPDKSH-GHMZBOCLSA-N	323.397	1.204	50	20	DDGD	
CCOc1cc(C(=O)N(C)NC(=O)OCc2ccccc2)[nH]n1	1331790054	GHHSNKIMJWVWCR-UHFFFAOYSA-N	318.333	1.722	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2c(C)ccnc2O)c1	1337483109	PTBKBBBVHQXYLN-UHFFFAOYSA-N	301.302	1.639	50	20	DDGD	
COC1CC(C(=O)NNc2cncc(Br)c2)C1	1330214288	NHOGKPVPGCNETL-UHFFFAOYSA-N	300.156	1.712	50	20	DDGD	
CSc1ccccc1C(C)=NNC(=O)CS(C)(=O)=O	1261832877	DQIHZKHYVLOPAS-UHFFFAOYSA-N	300.405	1.293	50	20	DDGD	
COC1(OC)CCOC[C@@H]1NC(=O)C1CCC(Cl)CC1	1352453241	ZFBHEQDCXIQBDF-MCIGGMRASA-N	305.802	1.678	50	20	DDGD	
O=C(C1CCC(Cl)CC1)N1CC[C@H](CN2CCOCC2)C1	1519629259	VFVBZWBIIIBAJM-WLYUNCDWSA-N	314.857	1.965	50	20	DDGD	
O=C(O)[C@@H](C(=O)NNC(=S)NCC1CCC1)C1CCCC1	1605898255	QMKCPBAGLBYHTP-LLVKDONJSA-N	313.423	1.173	50	20	DDGD	
Cc1c(NNC(=O)N[C@H]2CCCOCC2)cccc1C(=O)O	1607551908	AVTSNYFBLBETQJ-NSHDSACASA-N	307.350	1.888	50	20	DDGD	
O=C(Cc1ccc(C(=O)O)nc1)NNc1ccc(Cl)nc1	1601358048	HPBVEKPYYAIUBS-UHFFFAOYSA-N	306.709	1.514	50	20	DDGD	
O=C(O)[C@]1(F)CCN(S(=O)(=O)c2ccc(CCl)cc2)C1	1601718820	HJQFXXMJGXSICK-LBPRGKRZSA-N	321.757	1.613	50	20	DDGD	
Cc1cc(C)n(CCC(=O)NNc2cccc(F)c2C(=O)O)n1	1607629875	NKVMMZITQZECKE-UHFFFAOYSA-N	320.324	1.871	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccc(NC3CC3)nc2)nc1	1608904995	SZLSAGUIOWLDNG-UHFFFAOYSA-N	313.317	1.506	50	20	DDGD	
Cc1c(NNC(=O)Nc2cccn(C)c2=O)cccc1C(=O)O	1600055859	LICSBNCDBLRYKC-UHFFFAOYSA-N	316.317	1.541	50	20	DDGD	
CC(=NNC(=O)C(=O)O)c1ccc(N2CCCCC2)c(F)c1	1609553293	XGYGMOALMYCKNU-UHFFFAOYSA-N	307.325	1.741	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H]2CC2(F)F)o1	1603406941	HLZCVHSUTIFWIB-RXMQYKEDSA-N	313.268	1.076	50	20	DDGD	
CC1=C(C(=O)NNc2ccc(C(=O)O)cc2F)C(=O)OC1(C)C	1604606832	BDDLMECHJGBOLC-UHFFFAOYSA-N	322.292	1.619	50	20	DDGD	
Cn1c(C=NNC(=O)c2n[nH]c3c2CCCC3)ccc1C(=O)O	1608087190	KCMUOSORFRPEIE-UHFFFAOYSA-N	315.333	1.089	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNc2ccc(C(=O)O)cc2F)C1	1610038136	ZIYCQFOLNZZXDW-AOOOYVTPSA-N	311.313	1.718	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H]1CC[C@@H](C(=O)O)C1	1574095670	UIPNNKYFTLTPBS-VHSXEESVSA-N	306.318	1.417	50	20	DDGD	
CO[C@H]1CN[C@@](C)(C(=O)NNc2cccc(F)c2Cl)C1	1573960121	FCNDDCGXCXTWEK-AMIZOPFISA-N	301.749	1.689	50	20	DDGD	
CC[C@H](C)C[C@H](N)C(=O)NNC(=O)COc1ccc(F)cc1	1576983485	QPNCXYXJIBVYAC-GWCFXTLKSA-N	311.357	1.115	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)c1cn(C)c2ccccc12)[C@H](C)N	1575413120	JXLACVCAERXGDX-NHYWBVRUSA-N	316.405	1.559	50	20	DDGD	
CCCNNC(=O)C[C@@H](NC(C)=O)c1ccccc1OCC	1577574730	PKZOEBVIUGRRBS-CQSZACIVSA-N	307.394	1.683	50	20	DDGD	
N[C@H]1C[C@@](C(=O)NNc2ccnc(F)c2)(c2ccccc2)C1	1580425275	CXMWURZEVJGOMH-YGUOUDRMSA-N	300.337	1.723	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@@H]1C[C@@H](C(=O)O)c2ccccc21	1594782723	IWLKUENBUYDTKU-CHWSQXEVSA-N	317.345	1.430	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1occ2c1CCC2	1593164216	YOBWXEQERRGZNF-UHFFFAOYSA-N	311.305	1.100	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)O)C2(C)C)cc[nH]1	1594325128	BGVDDWGOHCOZKE-KGYLQXTDSA-N	320.393	1.573	50	20	DDGD	
O=C(O)CCOc1cccc(C=NNC(=O)c2ccon2)c1	1776106144	RXYZYHSRYRVOAB-UHFFFAOYSA-N	303.274	1.292	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C/c1c(F)cc(C(=O)O)cc1F	1776946020	AKSHTLXJYHCEJZ-VMPITWQZSA-N	301.270	1.962	50	20	DDGD	
Cn1ncc(C(=O)O)c1/C=C(\C#N)C(=O)NC1CCCCC1	1776133816	TTYRKAROHQBICF-JXMROGBWSA-N	302.334	1.474	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc(CCC(=O)O)o1	1776024750	SJSNTCZIWHSJGH-UHFFFAOYSA-N	309.366	1.479	50	20	DDGD	
CC(=NNC(=O)C[N+](C)(C)C)c1cccc(O[C@@H](C)C(=O)O)c1	1776011853	UEPBNINDZIDCQZ-LBPRGKRZSA-O	322.385	1.085	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccccc2O)c(C)c1	5174063	QAWVXGQMCGTTAO-UHFFFAOYSA-N	314.341	1.849	50	20	DDGD	
O=C(CCc1nc2ccccc2[nH]1)NNC(=O)c1ccccc1	16497939	RYIXMTLWZGJZEN-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
C[C@H](Cc1ccccc1Cl)C(=O)NNc1nccn(C)c1=O	152099741	SMSKJPLZVDGMEI-SNVBAGLBSA-N	320.780	1.756	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=S)Nc1ccc(N(C)C)cc1	153219149	VTZSRNKFKLUOFK-NSHDSACASA-N	324.450	1.885	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)c1ccc(Cl)cc1OC	153361092	JNHKRTLNLKWGJD-SECBINFHSA-N	314.769	1.925	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccccc1-c1cccs1	155634978	JQQQADNOXYZPBA-UHFFFAOYSA-N	305.359	1.950	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCCO1)C(=O)NNc1ccc(C#N)cc1	155296454	SSTPIKISEIBCSS-DOMZBBRYSA-N	303.362	1.976	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cc(C(C)C)[nH]n2)n1	155920327	HQZNRJGVFAVKFG-UHFFFAOYSA-N	317.397	1.926	50	20	DDGD	
O=C(C[C@H]1COC(=O)C1)NNC(=O)c1ccc2ccccc2c1	154627951	WXYUUOKZTZNFME-LLVKDONJSA-N	312.325	1.554	50	20	DDGD	
CS(=O)(=O)Nc1ccccc1C(=O)NNc1cccc(F)c1	154755128	PCAHQKDUWSZPTR-UHFFFAOYSA-N	323.349	1.954	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)Cc1cccs1	6208425	CERUQSYAMHURDL-UHFFFAOYSA-N	308.334	1.656	50	20	DDGD	
O=C(CCl)Nc1nc(-c2cccc(-n3cnnn3)c2)cs1	1341524565	VVIOSVFAIXIRHP-UHFFFAOYSA-N	320.765	1.963	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccccc2O)cc1	8157639	IATBYXWNEDKIEX-UHFFFAOYSA-N	301.302	1.867	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Cc1ccc(OC(F)F)cc1	109860322	WUKTYEHGSDNEKX-UHFFFAOYSA-N	324.287	1.323	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)ccc1O)c1ccc(O)nc1	10624102	VUAWCMKWOAHYTE-UHFFFAOYSA-N	307.693	1.221	50	20	DDGD	
CCNC(=O)CCCC(=O)NNC(=O)c1c[nH]c2ccccc12	104826690	XZABMBLTTFZSIA-UHFFFAOYSA-N	316.361	1.235	50	20	DDGD	
O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)c1cocn1	104899868	DIBNAQFKBGQJLE-UHFFFAOYSA-N	317.273	1.428	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1ccc(-n2cccn2)c(F)c1	104211446	CGZVAEXKEBEPKE-UHFFFAOYSA-N	313.292	1.414	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2ccc3[nH]nnc3c2)c1	177216687	LMXRCVOKEUPZBF-UHFFFAOYSA-N	301.281	1.863	50	20	DDGD	
Cc1nnc(NC(=O)NNC(=O)c2ccc(C#N)cc2)s1	170708402	RLWVTEJKTVOFNQ-UHFFFAOYSA-N	302.319	1.185	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2cn(C)nc2C)c1	113140904	BICUWKUMAVXDFN-UHFFFAOYSA-N	316.361	1.185	50	20	DDGD	
CCN1CCC[C@@H]1CNC(=O)NNC(=O)CCc1ccccc1	175385157	BZRJDAZYJDWQBQ-OAHLLOKOSA-N	318.421	1.434	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)o1	176220232	JAVDKCIECATCRB-FOSCPWQOSA-N	304.346	1.744	50	20	DDGD	
C=CCn1c(S[C@@H](C)C(=O)NNC(=O)CC)nnc1C1CC1	110103287	FOECZWIBUUZTPB-VIFPVBQESA-N	323.422	1.380	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CSCc2cscn2)n1	119772705	SXMFWBQQDFDTBN-UHFFFAOYSA-N	309.420	1.926	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)c1nn(CC)c(=O)c2ccccc12	23389706	VGAUNJAHEIBONY-SNVBAGLBSA-N	316.361	1.224	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H](C)Cc2c(C)nn(C)c2C)n1	173023959	FGXPFHUXJWDVNQ-SECBINFHSA-N	316.409	1.766	50	20	DDGD	
NC(=O)NCc1ccc(C(=O)NNc2cccnc2Cl)cc1	176248484	VUPSADQVBNRZGV-UHFFFAOYSA-N	319.752	1.660	50	20	DDGD	
O=C(NNC(=O)c1cnc2ccccc2n1)NC1CCCCC1	178744072	UZQSIGLMFUELHF-UHFFFAOYSA-N	313.361	1.907	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NNc1ncnc2nc[nH]c12	173949837	VYGQHEDFGMJCPS-AEJSXWLSSA-N	303.370	1.057	50	20	DDGD	
Cc1ccc(CCNC(=O)NNc2cncc(Cl)n2)cn1	111886706	GKUITSNLOOKFBT-UHFFFAOYSA-N	306.757	1.702	50	20	DDGD	
COc1ccnc(C(=O)NNC(=O)CCCc2ccccc2)c1	116016801	ZWBLOQRLVHFHBC-UHFFFAOYSA-N	313.357	1.874	50	20	DDGD	
O=C(NCC(=O)N1CCCC1)NNc1ccc(Cl)c(F)c1	175228028	XYLOUHMSFSRYSC-UHFFFAOYSA-N	314.748	1.728	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2oc(C)nc2C)cc1	175661397	DDQVQDOFFDFZBK-UHFFFAOYSA-N	317.345	1.694	50	20	DDGD	
Cc1cc(C=NNC(=O)c2cncn2-c2ccccc2)ncn1	1343847193	SVUJWDZMBIMCTE-UHFFFAOYSA-N	306.329	1.735	50	20	DDGD	
C[C@@H](C(=O)NNc1nccn(C)c1=O)c1c(F)cccc1F	129105683	NTXHOXHIZXEXQP-MRVPVSSYSA-N	308.288	1.305	50	20	DDGD	
CC(=O)Nc1ccc(CC(=O)NNc2cc(C)nc(C)n2)cc1	128810958	JGSOCXXZMUWRER-UHFFFAOYSA-N	313.361	1.738	50	20	DDGD	
O=C(NNc1ccccn1)c1cn(Cc2cccc(F)c2)nn1	181251421	DNUDEOVTKWFYDC-UHFFFAOYSA-N	312.308	1.617	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)c2cccn2C)c1	73066868	BKMAKNSQDSVOSV-UHFFFAOYSA-N	301.346	1.428	50	20	DDGD	
CCCC[C@@H](COC)NC(=O)NNc1nc2ccccn2n1	189103654	VEXNEBQYMMXCFC-NSHDSACASA-N	306.370	1.561	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2ccc(C(N)=O)s2)c1	126161536	OZKHESDLMAJBOE-UHFFFAOYSA-N	321.749	1.524	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cnn(C)c2)c2ccccc2n1	73050370	XYHFHCULDRFPLG-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
CCCc1ccc(NC(=O)C(=O)NNc2ccc(C)nn2)cc1	123739537	FKLGVAXHEITHFA-UHFFFAOYSA-N	313.361	1.819	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)c2cccc3ncccc23)cn1	183045963	SPKRPZBVGFQBSO-UHFFFAOYSA-N	323.356	1.916	50	20	DDGD	
CC(C)(CNC(=O)NNc1cccc(C#N)c1)N1CCOCC1	43161119	LDAFOIRGHVDGGH-UHFFFAOYSA-N	317.393	1.295	50	20	DDGD	
CCNC(=O)NNS(=O)(=O)c1cccc(C(F)(F)F)c1	49152590	FARBWYBRDZMVQA-UHFFFAOYSA-N	311.285	1.218	50	20	DDGD	
O=C(NNc1ccc(Br)cc1)[C@H]1COCCO1	48733423	ROXQCWQRCTWDGA-SNVBAGLBSA-N	301.140	1.308	50	20	DDGD	
C=C[C@@](C)(CC)C(=O)NNC(=O)Cc1cn2ccccc2n1	135092807	UNOIPKRBHGIPQG-INIZCTEOSA-N	300.362	1.627	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cccnc2)cnn1C(C)(C)C	47296104	UERNDIXTXNHSGI-UHFFFAOYSA-N	301.350	1.416	50	20	DDGD	
O=C(NCCOCC(F)F)NNC(=O)c1cccc(Cl)c1	191622734	GMVIZDQWFVIHNE-UHFFFAOYSA-N	321.711	1.566	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1ccccc1O)CN1CCCC1	193381438	JGNBMJNNLJTVIU-LBPRGKRZSA-N	320.393	1.068	50	20	DDGD	
CCn1c(NNC(=O)[C@@H](N)CC(C)C)nc2ccccc2c1=O	237215585	XMWNGNOJTJRGSQ-LBPRGKRZSA-N	317.393	1.233	50	20	DDGD	
CCOC(=O)CN(C)S(=O)(=O)c1ccc(CCCl)cc1	49608123	RPWKIMRLVYFVPH-UHFFFAOYSA-N	319.810	1.652	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)n1	249306633	JPHOQHCOTWRQCM-ZLKJLUDKSA-N	321.425	1.655	50	20	DDGD	
COc1ccccc1/C(C)=C\C(=O)NNC(=O)c1cnn(C)c1	255082246	LCONVCJPGVNEQJ-FLIBITNWSA-N	314.345	1.293	50	20	DDGD	
CCOC(=O)NN=Cc1cc(OC)c(OC(C)=O)c(OC)c1	254290886	FHAGQMNGYLIYEB-UHFFFAOYSA-N	310.306	1.709	50	20	DDGD	
Cc1noc2nc(C3CC3)cc(C(=O)NNC(=O)C3CCC3)c12	264644523	ABIMQTXBTBYCSX-UHFFFAOYSA-N	314.345	1.970	50	20	DDGD	
Cc1nn(CC(F)(F)F)cc1C(=O)NNC(=O)CC(C)C	268597663	HMAHVEZVTZRVES-UHFFFAOYSA-N	306.288	1.561	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)CO[C@@H](C)CC	269700330	MGXUQGAIJNMPBA-LBPRGKRZSA-N	324.377	1.427	50	20	DDGD	
CC(C)C[C@H](C)NC(=O)NNC(=O)[C@H]1COc2ccccc2O1	269768238	ATTBBWHRBSYQBI-SMDDNHRTSA-N	321.377	1.591	50	20	DDGD	
CNC(=O)CCCNC(=O)NNc1ccc(Cl)c(F)c1	266935488	GTLGXIDBXUYMKG-UHFFFAOYSA-N	302.737	1.631	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H]1CCn2cncc2C1	366657151	UMSNCYZMIHVTHM-JTQLQIEISA-N	317.301	1.968	50	20	DDGD	
COCCOCCCNC(=O)c1c(C)nn(CCCl)c1C	265011649	GZFUZIBYNNXMTB-UHFFFAOYSA-N	317.817	1.522	50	20	DDGD	
CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)N2CC=C(C#N)CC2)C1	272701034	WEBBDNZBKHJWRM-HIFRSBDPSA-N	319.405	1.332	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)c2cccc(C)n2)CCS1	279690664	PTDWHOLQLURYLL-NSHDSACASA-N	308.407	1.572	50	20	DDGD	
CC(C)[C@@H]1C[C@H](NC(=O)NNc2cncc(Cl)n2)CCO1	271782866	KDVVLGZAKIHAJL-ZJUUUORDSA-N	313.789	1.960	50	20	DDGD	
CCC1(C(=O)NNc2c(OC)cccc2S(C)(=O)=O)CC1	274348685	HECYSRBSIDUWKD-UHFFFAOYSA-N	312.391	1.732	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNc1ncc(C(=O)OCC)c(C)n1	272194648	ODHDNQDQOQBUNZ-LLVKDONJSA-N	324.381	1.610	50	20	DDGD	
Cc1ccc2cc(C(=O)NNC(=O)N3CCN(C)CC3)[nH]c2c1	278623575	MRGQQHMGVFHCPF-UHFFFAOYSA-N	315.377	1.078	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1cccc(CC(F)(F)F)c1	274257279	VWFYZTFNPODNSA-UHFFFAOYSA-N	319.239	1.117	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccc(O[C@@H]2CCOC2)cc1	274119894	MTHJYLCBUREJEK-CYBMUJFWSA-N	305.334	1.417	50	20	DDGD	
CC[C@@H]1C[C@H](CC(=O)NNc2nc3ccccn3n2)CCO1	276897047	ZBWKYYFMNQZKFV-VXGBXAGGSA-N	303.366	1.768	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1F	274114558	FWIMOZFTEBAYQA-UHFFFAOYSA-N	315.732	1.611	50	20	DDGD	
C=CC[C@@H](C)NC(=O)NNC(=O)CSc1ccccc1O	270700445	XYJRPKLUNHPMEK-SNVBAGLBSA-N	309.391	1.779	50	20	DDGD	
CCN1C[C@@H](C(=O)NNC(=O)Nc2ccccc2C)CC1=O	280893632	DFLPUCJVNAIMJE-NSHDSACASA-N	304.350	1.016	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCc1ncc(C(C)(C)C)o1	281228360	MTJUTZFWMBZZDF-UHFFFAOYSA-N	310.423	1.586	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@H]1O[C@H](C)C[C@H]1C	282765866	UNJZNNQHWJEYBK-UEKVPHQBSA-N	322.361	1.035	50	20	DDGD	
CC1=C(C(=O)NNc2ncccc2C)[C@H](C)n2ncnc2N1C	282222190	GYZGKGQCTRUZKL-NSHDSACASA-N	313.365	1.410	50	20	DDGD	
Cc1noc(C)c1C(C)(C)C(=O)NNC(=O)c1ccncc1	280638665	CEPHHJAQDCCGJX-UHFFFAOYSA-N	302.334	1.425	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)CCC(=O)c2ccc(F)cc2)O1	294344725	UFKNNLWPWVBIFL-HZMBPMFUSA-N	322.336	1.504	50	20	DDGD	
CON=CC(=O)NNC(=O)c1cc(-c2cc(C)ccc2C)[nH]n1	809723334	HARSRADPQDJKQC-UHFFFAOYSA-N	315.333	1.087	50	20	DDGD	
CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NNC(=O)CO	807195932	OAKFDWINKKMRHY-JTQLQIEISA-N	318.295	1.414	50	20	DDGD	
CSC[C@@H]1CCCN(CC(=O)NNC(=O)c2ccccc2)C1	292466942	QZLQFSNVKAMONR-CYBMUJFWSA-N	321.446	1.523	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2ccn(C)n2)c(Cl)c1	802049159	ZFZODXGNYMLMAU-UHFFFAOYSA-N	307.741	1.848	50	20	DDGD	
Cc1csc(=O)n1CCC(=O)NN(C)C(=O)OC(C)(C)C	297857097	ZYSAHFCDZSMYBC-UHFFFAOYSA-N	315.395	1.506	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	296340470	CGFKKJMRNCBTEM-ZQDZILKHSA-N	315.373	1.224	50	20	DDGD	
CC1(C(=O)NNc2nnc[nH]2)CCN(Cc2ccccc2)CC1	298444261	PLKUVTDPWICONB-UHFFFAOYSA-N	314.393	1.550	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=O)c2ccc(C)cc2O)o1	294976731	XWUQOWJWZOCNBN-UHFFFAOYSA-N	303.318	1.634	50	20	DDGD	
C[C@@H](CCc1ccc(O)cc1)NC(=O)NNC(=O)[C@@H]1CCCO1	291641392	JVTFJCVSYPAKQT-FZMZJTMJSA-N	321.377	1.223	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C(N)=O)[C@@H](C)c1ccccc1	293594940	AKNHZKBLJNIQDS-LZFLUNMOSA-N	301.346	1.204	50	20	DDGD	
CC(Cn1cccn1)=NNC(=O)C(=O)Nc1ccc(C)c(C)c1	814769295	XPHURMVVVIYLNF-UHFFFAOYSA-N	313.361	1.631	50	20	DDGD	
CN(C)C(=O)NN=C1COc2cc(F)c(Br)cc21	814821257	OKGHGNMZYCWTMN-UHFFFAOYSA-N	316.130	1.956	50	20	DDGD	
O=C1CSc2cc(C(=O)NNc3ncc(F)cn3)ccc2N1	810777082	VGMTWHYDWNCZDN-UHFFFAOYSA-N	319.321	1.417	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)NCCc2cccs2)C1	819807857	VQQMTDXBAWVPEW-UHFFFAOYSA-N	309.391	1.919	50	20	DDGD	
Cn1cc(C=NNC(=O)c2cc(-c3ccccc3)on2)c(O)n1	814217802	OARMSMPKOLZROJ-UHFFFAOYSA-N	311.301	1.545	50	20	DDGD	
CCC[C@@H]1C[C@H]1C(=O)NNC(=O)CNC(=O)c1cccs1	812492949	RDRASGUQPFNADF-NXEZZACHSA-N	309.391	1.062	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@](C)(O)C1CCC1)c1ccccc1	813448841	RQZKGQBWIBQBIF-PBHICJAKSA-N	304.390	1.879	50	20	DDGD	
CN(C)C1CCC(NC(=O)NNC(=O)c2ccccc2)CC1	817153749	ZEMVDZUIJUEVDB-UHFFFAOYSA-N	304.394	1.503	50	20	DDGD	
COc1cnc(C(=O)NN=c2sc3ccccc3n2C)nc1	814888485	BPQUCBRVCMWZJL-UHFFFAOYSA-N	315.358	1.284	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Cc1cccc(Cl)c1F	810348838	WKIPDPLKGOFTRH-UHFFFAOYSA-N	321.739	1.807	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2CC3CCC2CC3)n1	814247900	BHGLBXJZGJAWNZ-RUXDESIVSA-N	304.394	1.474	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@]23CCC(=O)N2CCS3)cc1	817882359	KDGPFJVNPPQEAP-OAHLLOKOSA-N	321.402	1.594	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)OC(C)(C)C	814102692	GMKOKYFUUSZNDF-MXWKQRLJSA-N	311.382	1.188	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1nnn(-c2ccc(C)cc2)c1C	814908576	CXDVYEOCSYIYFJ-UHFFFAOYSA-N	315.377	1.495	50	20	DDGD	
O=C(CC1CC1)NN=Cc1ccc(OC(F)(F)C(=O)O)cc1	814986581	ABILJYNMPQVCQU-UHFFFAOYSA-N	312.272	1.993	50	20	DDGD	
Cc1ccc(-c2nc(C)c(C(=O)NNc3cnnn3C)s2)o1	816770669	HIVAURUZGYSKAH-UHFFFAOYSA-N	318.362	1.905	50	20	DDGD	
CO[C@](C)(C=NNC(=O)c1cccc(S(C)(=O)=O)c1)C1CC1	814801594	JFZZRXAPNOWDSY-OAHLLOKOSA-N	324.402	1.621	50	20	DDGD	
CC(C)CN1C[C@@H](C(=O)NNc2cccc(Cl)n2)CC1=O	817012065	WQYVYYYSKSFBFY-JTQLQIEISA-N	310.785	1.683	50	20	DDGD	
CCn1nncc1C(=O)NNc1cccc(Br)c1	815850785	CHOAUKNZYBHYTK-UHFFFAOYSA-N	310.155	1.817	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCc1ccc(F)cc1	825518107	GAGVEHTWSNJYCM-GXFFZTMASA-N	309.341	1.124	50	20	DDGD	
CCN(CCO)NC(=O)Cc1ccc(Br)c(F)c1	823870162	ZRZQHZALYBQMCJ-UHFFFAOYSA-N	319.174	1.476	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CCc1ccon1)c1ccccc1	826927074	XIKRYTKOFMHIIX-UHFFFAOYSA-N	301.346	1.732	50	20	DDGD	
O=C(Cc1ccncc1)NN=Cc1cc(-c2nn[nH]n2)cs1	823115459	OKTDMARRGIBJDB-UHFFFAOYSA-N	313.346	1.016	50	20	DDGD	
N#CCCN1CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)CC1	827483631	PDBFLUZIGCOIOW-QINSGFPZSA-N	310.357	1.357	50	20	DDGD	
COc1cccc(S(=O)(=O)NNC(=O)c2ccccc2)c1	727353650	JKXBUCDKIVXGAQ-UHFFFAOYSA-N	306.343	1.319	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(C)(C(=O)NNc2ccncn2)C1	495897175	RNUKQWQUFQEPSE-UHFFFAOYSA-N	307.354	1.177	50	20	DDGD	
COc1ccc(OC(F)(F)F)c(C(=O)NN(C)[C@@H](C)CO)c1	823917500	IXFRIAKBWWYXAM-QMMMGPOBSA-N	322.283	1.551	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)COc1ccc(C)c(C)c1	491738006	HNJJKXFCXCXXTB-UHFFFAOYSA-N	310.357	1.662	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNc1ncccc1Cl	496139161	HBGFKWHPRJPJSG-WPRPVWTQSA-N	314.773	1.949	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cccc2c1OCC2)C1CC1	824446520	MDGNQGPSDFBGCV-VIFPVBQESA-N	305.403	1.529	50	20	DDGD	
COC(=O)N1CCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)CC1	490843060	NEAWIPQGKIBGPG-JLHYYAGUSA-N	317.320	1.643	50	20	DDGD	
O=C(CCc1ccncc1)NNc1cccc(-c2nn[nH]n2)c1	826409311	REBURQXONBFLGC-UHFFFAOYSA-N	309.333	1.338	50	20	DDGD	
CN(NC(=O)[C@@H]1CC(c2cccnc2)=NO1)C(=O)OC(C)(C)C	496681930	RUZWDOATBUIXOU-LBPRGKRZSA-N	320.349	1.473	50	20	DDGD	
CC[C@@H](C)c1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cc1	585061526	ZSXQOMDKNQEFIU-YPMHNXCESA-N	311.212	1.438	50	20	DDGD	
C[C@H]1C[C@H](CCNC(=O)NNC(=O)OC(C)(C)C)CCO1	495301352	DDAGWASFJDKEBN-WDEREUQCSA-N	301.387	1.931	50	20	DDGD	
CCN1C[C@@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)CC1=O	490977724	URDBDURAHQQYAX-VDBIKXPHSA-N	301.321	1.470	50	20	DDGD	
CCc1cc(C(=O)NNc2cccc(C(=O)OC)c2F)n(C)n1	823435305	NLGBZQCVGWHTBE-UHFFFAOYSA-N	320.324	1.665	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNC(=O)C2CCCC2)cc1O	492299052	YJTSKBRHAPPDPB-CLFYSBASSA-N	304.346	1.752	50	20	DDGD	
Cn1cc(NCc2ccc(B(O)O)cc2)c(C2CCCCC2)n1	585044020	XZDLCEAHTMILNQ-UHFFFAOYSA-N	313.210	1.760	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(CN2CCCCC2=O)cc1	823970932	NANKNHKAFRKSES-CYBMUJFWSA-N	319.405	1.157	50	20	DDGD	
C#C[C@H](C)NC(=O)NNC(=O)[C@H](C)Oc1ccc(OCC)cc1	820441861	YMOYWPWPODXZDB-RYUDHWBXSA-N	319.361	1.205	50	20	DDGD	
CC(C)CCN(C(=O)c1ccc(B(O)O)cc1)C1CCCC1	584936136	FXEAOAJSDKFXQP-UHFFFAOYSA-N	303.211	1.797	50	20	DDGD	
CCCCO[C@@H]1C[C@@H](NC(=O)c2cccc(B(O)O)c2)C1(C)C	584960923	OWQWNMJXURYMAL-HUUCEWRRSA-N	319.210	1.080	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@@H](C)OC)c1C	490702027	YGDNCQQTJSCTHL-WPBJZHHJSA-N	319.405	1.809	50	20	DDGD	
C[C@H](CCc1ccccc1)NCc1ccc(B(O)O)cc1F	585014609	XJURVEWTDGVWNZ-CYBMUJFWSA-N	301.170	1.616	50	20	DDGD	
CC(=NNC(=O)CCNC(=O)OC(C)(C)C)c1csnn1	495586410	BPBSLLBCIADVNY-UHFFFAOYSA-N	313.383	1.293	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](c2ccc(OC)cc2)C1	732199341	LIJVJUDKRSIYFF-GXTWGEPZSA-N	319.405	1.430	50	20	DDGD	
O=C(NCc1ccc(O)c(F)c1)NNC(=O)c1ccccc1F	739059216	LDWHHZKGBYAFCI-UHFFFAOYSA-N	321.283	1.815	50	20	DDGD	
O=C(CNC(=O)c1ccc(O)cc1)NNc1ccc(F)cc1F	733361849	DVCIOFFBPIODMG-UHFFFAOYSA-N	321.283	1.544	50	20	DDGD	
Cc1nnc(NNC(=O)c2cc3cc(F)ccc3o2)nc1O	735516241	JRBDXCIETIUTNB-UHFFFAOYSA-N	303.253	1.528	50	20	DDGD	
N#C/C(=C/c1ccnc(Cl)c1F)S(=O)(=O)NC1CC1	834434481	KNLXCAZWMIBCEU-UITAMQMPSA-N	301.730	1.820	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H]2CCCN2C2CC2)ccc1F	837040160	XSISROTXBYCANB-CQSZACIVSA-N	321.352	1.682	50	20	DDGD	
O=C(O)NNS(=O)(=O)c1ccc(Br)c(F)c1	833280319	GQVYEPRDKLESHM-UHFFFAOYSA-N	313.104	1.049	50	20	DDGD	
CCOCC(=O)NN=Cc1c[nH]c2ccc(C(=O)OC)cc12	731927756	RVAZTLCMBNDLNU-UHFFFAOYSA-N	303.318	1.441	50	20	DDGD	
CSCCCCCNC(=O)NNC(=O)[C@H]1CCCCO1	836406514	UETDTGMSTDPXPW-LLVKDONJSA-N	303.428	1.419	50	20	DDGD	
Cc1nc(CC(C)C)sc1C(=O)Nc1cccc(B(O)O)c1	584911389	VAHOARLBKVLNLK-UHFFFAOYSA-N	318.207	1.582	50	20	DDGD	
CC[C@@H]1CCC[C@H]1C(=O)NNc1ccc(-n2ccnc2)nn1	830423480	SHRFCOYADCVNPB-VXGBXAGGSA-N	300.366	1.932	50	20	DDGD	
Cc1ccc(N2CC[C@H](NCc3ccccc3B(O)O)C2)cc1	585022891	CCQYRFZREDMTAU-INIZCTEOSA-N	310.206	1.043	50	20	DDGD	
CCS(=O)(=O)CC(C)=NNC(=O)CNc1ccc(C)cc1	733745750	UEJADBGJOGDWFW-UHFFFAOYSA-N	311.407	1.334	50	20	DDGD	
OB(O)c1cccc(CN[C@H]2CCc3c(Cl)cccc32)c1	585020154	OGPHOWSZRFEAHO-INIZCTEOSA-N	301.582	1.797	50	20	DDGD	
O=C(c1cccc(SC(F)(F)F)c1)N1CC[C@H](B(O)O)C1	585066328	LAOQHJOJVFVPDB-VIFPVBQESA-N	319.113	1.987	50	20	DDGD	
CC(C)O[C@H]1C[C@@H](NC(=O)NNc2nc3ccccn3n2)C1	838746716	BOTBXKAKOLIMFH-PHIMTYICSA-N	304.354	1.311	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNc1cccc([N+](=O)[O-])c1C	839709951	VPPNOICBWOIGIM-JTQLQIEISA-N	309.322	1.936	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2nnnn2C2CC2)c(Cl)c1	838499864	RKCYUAVOGMMABN-UHFFFAOYSA-N	321.772	1.796	50	20	DDGD	
Cc1cccc(OCC(=O)NN[C@H](C(=O)O)c2cccnc2)c1	832972063	HYPWOMMYRFOUSR-HNNXBMFYSA-N	315.329	1.216	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@H]2C[C@]2(C)C(C)C)n1	838768521	VFHPOGDHRQHGGH-SWLSCSKDSA-N	307.398	1.265	50	20	DDGD	
Cc1ccc(Cl)c(OCC(=O)NNC(=O)c2c[nH]nc2C)c1	732084055	IDWKHNKPCKZOKN-UHFFFAOYSA-N	322.752	1.520	50	20	DDGD	
CC(C)OC(=O)CCNC(=O)NNc1cc(F)ccc1F	913954867	TZPUCVUTKWQKJP-UHFFFAOYSA-N	301.293	1.933	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)[C@H]1CCCCO1)c1ccccc1	836381426	DGMMHPIWGCLQAJ-ZIAGYGMSSA-N	321.377	1.274	50	20	DDGD	
Cc1nc(C)c(CCC(=O)NNC(=O)C2CCCC2)c(O)n1	914843747	XEHAAYVQKPJQID-UHFFFAOYSA-N	306.366	1.069	50	20	DDGD	
O=C(O)NNS(=O)(=O)c1ccc2nc(Cl)sc2c1	833281011	RYYIDQRTWUINJO-UHFFFAOYSA-N	307.740	1.411	50	20	DDGD	
C[C@H](CCCN)NC(=O)NNC(=O)c1ccc(Cl)cc1F	841999219	DHVPAKPRXHYGJD-MRVPVSSYSA-N	316.764	1.551	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	841378294	ZHUKBBPVTWMFLD-CYBMUJFWSA-N	321.377	1.142	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1c(F)cc(C(F)(F)F)cc1F	910148777	XJZGTYXYODDUBV-ZCFIWIBFSA-N	312.238	1.941	50	20	DDGD	
CCC(=NNC(=O)Cn1nnc(-c2ccccc2)n1)C(C)C	915907513	UASRAEHGQVBDGJ-UHFFFAOYSA-N	300.366	1.878	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CCO[C@H]2C)cc2c1OCO2	842560445	XQKVBKLTGSWJSQ-ONGXEEELSA-N	306.318	1.299	50	20	DDGD	
Cc1nc(CCC(=O)NNC(=O)Cc2ccncc2)cs1	747326020	HAAMPMBSHWJBOO-UHFFFAOYSA-N	304.375	1.169	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@H]2Cc3ccccc32)c1	740740093	OBUDZNXXLLENLU-INIZCTEOSA-N	309.369	1.854	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@H]2CCO[C@@H]2C)cc1[N+](=O)[O-]	842558335	SHOOPDFTVDPGQH-KOLCDFICSA-N	307.306	1.479	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCc2ccccc2C1	845217154	WQHXMEMYZKMUGT-FZMZJTMJSA-N	318.373	1.281	50	20	DDGD	
CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NNC(=O)c1ncccn1	841350895	UUPYYEOAAWTNBU-AVGNSLFASA-N	320.393	1.612	50	20	DDGD	
CC[C@@H](C)Oc1cccc(NC(=O)NNC(=O)CCCN)c1	841082077	ZYZAJFGFHDKROP-LLVKDONJSA-N	308.382	1.756	50	20	DDGD	
COc1csc(C(=O)NNC(=O)c2cccc(C#N)c2)c1	746848280	UDNGLRSKTXKFDH-UHFFFAOYSA-N	301.327	1.703	50	20	DDGD	
CNC[C@@H]1C[C@H](F)CN1C(=O)[C@@H](Br)C(C)(C)C	843475218	FOZRUELQZHTWDF-LPEHRKFASA-N	309.223	1.954	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H](C)C(=O)OC(C)(C)C)nn1	847426063	DOFOMIPPIPGZII-SECBINFHSA-N	309.370	1.389	50	20	DDGD	
CCOC(=O)c1ccc(C=NNC(=O)Cn2nc(C)cc2C)o1	748243880	GQJNVTIUNLZGKT-UHFFFAOYSA-N	318.333	1.420	50	20	DDGD	
C[C@@H](C(=O)N(C)NC(=O)OCc1ccccc1)c1cnccn1	912835622	JVSUBDUVBGVHCD-GFCCVEGCSA-N	314.345	1.880	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cnn(-c2ccc(F)cc2)c1	843527597	IUAAOARQPATJCB-UHFFFAOYSA-N	316.336	1.963	50	20	DDGD	
CC(C[C@@H]1CCCC(=O)N1)=NNC(=O)[C@@H](C)CN1CCCCC1	841615211	XXTGTMXKWZYZJJ-ZFWWWQNUSA-N	322.453	1.659	50	20	DDGD	
C[C@@H](COCC(=O)NNC(=O)[C@H]1CCCCO1)c1ccccc1	844550662	BQVGLTYKYDDWDC-DZGCQCFKSA-N	320.389	1.523	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCCN(C(C)C)C(C)C	746420640	GCVJVGLHADWSSH-UHFFFAOYSA-N	300.447	1.872	50	20	DDGD	
C[C@@H](CCN)NC(=O)NNC(=O)Cc1cccc2ccccc12	841968494	YMKGYTROFLYTGU-LBPRGKRZSA-N	314.389	1.450	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1cc(C)cc(F)c1	747608697	JSWUAGCLGGGSSS-UHFFFAOYSA-N	303.359	1.427	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1c(F)c(F)cc(F)c1F	748538033	BHASGHANKWUODY-UHFFFAOYSA-N	316.214	1.349	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)NC[C@H]2CCCN2)cc1	841937384	RFQXTURWFHZNDX-GFCCVEGCSA-N	322.434	1.170	50	20	DDGD	
CCCNC(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc21	920989557	NALSIBQQZAEJRV-UHFFFAOYSA-N	313.354	1.416	50	20	DDGD	
CCCCC[C@@H](O)C(=O)NNc1ccc(CC(=O)OC)cc1	846377450	UYJQABSYMSFNBP-CQSZACIVSA-N	308.378	1.786	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@H](C)COCC1CC1	845584236	XPAVIUSIXKQYKO-CYBMUJFWSA-N	319.405	1.683	50	20	DDGD	
Cc1nc(Cl)cc(NNS(=O)(=O)CCCCCl)n1	841675655	IFUPILLJDZGQHP-UHFFFAOYSA-N	313.210	1.704	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CCN[C@@H](C)C2)c1F	841990273	ZDKRTFBNHWVFNQ-UWVGGRQHSA-N	324.356	1.379	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)NNc1cc(Cl)nc(C)n1	841471324	LMUWZZIQUIGVAX-JTQLQIEISA-N	311.773	1.283	50	20	DDGD	
Cn1cc(/C=C\C(=O)NNc2ccc(C(F)(F)F)nn2)cn1	755197414	MDWZUPQHMASSJE-DJWKRKHSSA-N	312.255	1.385	50	20	DDGD	
C[C@@H]1Cc2ccccc2C1=NNC(=O)[C@@H]1CCS(=O)(=O)C1	751134676	NZFFPMRPVWQNJX-ZYHUDNBSSA-N	306.387	1.134	50	20	DDGD	
COc1cc(F)cc(NNC(=O)Cc2ccc(C(N)=O)cc2)c1	754251486	CTAYHHYBZMHJMB-UHFFFAOYSA-N	317.320	1.619	50	20	DDGD	
CC[C@@H](C)n1ncc2c(C(=O)NNC(=O)N(C)C)cc(C)nc21	751385994	BYATVOPHDAEBEW-SNVBAGLBSA-N	318.381	1.627	50	20	DDGD	
CCCOc1cccnc1C(=O)NNC(=O)OCC(F)(F)F	856020631	NPUGUTDQNJTUMK-UHFFFAOYSA-N	321.255	1.804	50	20	DDGD	
COCc1nc(C)c(C(=O)NNC(=O)NC2CCCC2)s1	758817684	QUVDGXTZJZCBQK-UHFFFAOYSA-N	312.395	1.485	50	20	DDGD	
CCCCCCCCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1	755077554	GOCUZMYWBWDCGY-CQSZACIVSA-N	319.471	1.728	50	20	DDGD	
CCCC=NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	755544483	WXEOFRHXQBNUNS-UHFFFAOYSA-N	323.418	1.987	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1cc2c(cc1OC)OCO2	758813844	BCVBKHXQJCXKHR-VZUCSPMQSA-N	305.286	1.520	50	20	DDGD	
CN(CCI)Cc1nnc2ccccn12	759377914	FHYNCJHQKGQUBX-UHFFFAOYSA-N	316.146	1.596	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(C(=O)C(CC)CC)CC1	856509667	YTVOKKOFDIOTBI-OWBHPGMISA-N	307.394	1.537	50	20	DDGD	
Cc1cc(NNC(=O)NC[C@@]2(C)CCC(=O)N2)ccc1Cl	922812660	SOVJUJYGXLHAMI-CQSZACIVSA-N	310.785	1.943	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@H]1Cc2ccccc21	854281168	BKUBIPCNLJZBFD-ZDUSSCGKSA-N	307.419	1.200	50	20	DDGD	
O=C(NNC(=O)[C@H]1CSCCS1)OCC(F)(F)F	856021016	CLMSAEIVXSXQSF-RXMQYKEDSA-N	304.315	1.155	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCC([C@H]2CCCCO2)CC1	852594422	MWBOBADMFHGNFG-TZMCWYRMSA-N	311.426	1.213	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CCCn3nccc32)cc1	853280807	PKFIPMKJYNUURA-UHFFFAOYSA-N	311.345	1.444	50	20	DDGD	
C=CCCn1cc(C=NNC(=O)COc2ccc(C)cc2)nn1	853272145	PFUJNLSXRKIADJ-UHFFFAOYSA-N	313.361	1.692	50	20	DDGD	
C[C@H](CCCCN)NC(=O)NC[C@]1(C)C[C@@H]1Br	857103977	PHQAHVUBQLYOEH-SCVCMEIPSA-N	306.248	1.977	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CCC[C@@H](N(C)C)C2)c1	858310876	AEDULJICCPULSL-VXGBXAGGSA-N	324.450	1.873	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1c(C2CC2)cnn1C	853293068	QPFWCFOCGGKZKD-UHFFFAOYSA-N	312.373	1.999	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCO1	854003436	HXNHYCFRCQHOBL-DGCLKSJQSA-N	322.296	1.541	50	20	DDGD	
C[C@]1(CNC(=O)c2ccc(C(N)=O)cc2)C[C@@H]1Br	857688141	DDRWQVACGYVGCX-GXFFZTMASA-N	311.179	1.689	50	20	DDGD	
O=C(CO)NNC(=O)c1sc2cc(F)ccc2c1Cl	753452924	VBNMFZVFBIVITC-UHFFFAOYSA-N	302.714	1.447	50	20	DDGD	
C[C@@H]1CN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C[C@]1(C)CO	856247761	AYCBSNZQHZYOFN-VTOCVWAQSA-N	300.358	1.776	50	20	DDGD	
COc1ccc(OCC(=O)NN=C2CN(C(C)C)C[C@@H]2C)cc1	754253133	AMKDUHBLYOWOOE-ZDUSSCGKSA-N	319.405	1.906	50	20	DDGD	
CCn1ncc(C)c1NC(=O)C(=O)NNc1c(C)cccc1F	850414868	BWHWZSPSWQPZTL-UHFFFAOYSA-N	319.340	1.741	50	20	DDGD	
CCc1nn(C)cc1NC(=O)NNC(=O)c1ccccc1F	757897464	WOPDZRIXYXVYSJ-UHFFFAOYSA-N	305.313	1.588	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@H]2CCC[C@H]21)c1cccc(F)n1	852709235	PTBQDPJZFVMTGM-ZYHUDNBSSA-N	306.341	1.840	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cnc2ccc(F)cc2c1	758712791	ASTJLNFTYXBNCP-UHFFFAOYSA-N	302.309	1.728	50	20	DDGD	
CNC[C@@H](C)NC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	851681074	MQHPBFLOLLYKSP-YPMHNXCESA-N	322.409	1.009	50	20	DDGD	
COc1cc(C(=O)NN[C@@H](C)C(F)(F)F)cc2c1OCCO2	862304325	AGPNEMHTLAQRIB-ZETCQYMHSA-N	320.267	1.652	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CCOc2cccc(F)c2)n[nH]1	869013422	ZWOBUGCBHUWBJZ-UHFFFAOYSA-N	320.324	1.016	50	20	DDGD	
C[C@H](C(=O)NNc1ncc(F)cn1)n1ccc(C(F)(F)F)n1	867043962	QPJOSZBBJRBWLH-ZCFIWIBFSA-N	318.234	1.535	50	20	DDGD	
CNC(=O)NN=Cc1c(F)ccc(C2OCCO2)c1Cl	761798565	AULGEUMGIQTWLY-UHFFFAOYSA-N	301.705	1.787	50	20	DDGD	
O=C1NCC[C@]1(C(=O)NNc1ccnc(Cl)c1)C1CCCC1	862177753	YOFQDSFECWIIIZ-HNNXBMFYSA-N	322.796	1.875	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@@H](NC=O)C(C)C	860631101	ODHXEQBBORETLW-AWEZNQCLSA-N	300.362	1.757	50	20	DDGD	
CCCC(=O)N1CSC[C@@H]1C(=O)NN[C@@H](C)C(F)(F)F	862312292	IVMVHBOAYBXXNH-JGVFFNPUSA-N	313.345	1.260	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@@H]2CCSC2)cc1	762439842	DEDUROWLEKEMHR-SNVBAGLBSA-N	309.391	1.008	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CC2COC2)cc1	769675115	MKVXXLIPKULGHL-NSHDSACASA-N	322.361	1.037	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@@H]1CSCCS1	863096597	NSMODHKJZDLDOR-YFKPBYRVSA-N	310.313	1.653	50	20	DDGD	
CC1(C)[C@]2(C(=O)NNc3ncc(F)cn3)CC[C@@]1(C)C(=O)O2	860462976	IMUGQSJIBAMTAP-UONOGXRCSA-N	308.313	1.181	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC[C@@H](CC(N)=O)C1	866906257	FTULTVPWVYDTFW-JTQLQIEISA-N	310.847	1.169	50	20	DDGD	
Cc1cccc(NNC(=O)c2c(C)nn(C)c2Br)n1	862520108	GMZKQDPMLCAYEX-UHFFFAOYSA-N	324.182	1.951	50	20	DDGD	
CCN(C(=O)/C(C#N)=C\c1cnn(C)c1)C1CCN(C)CC1	861889957	ACOCNCPGIUCPOZ-ZROIWOOFSA-N	301.394	1.270	50	20	DDGD	
COCCOCC(=O)NNC(=O)CC/C=C/c1ccccc1	869910551	UUGJEBWUVVPNFJ-WEVVVXLNSA-N	306.362	1.290	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cccc(C2OCCO2)c1	763769413	AGYXEAGUWLJBTC-UHFFFAOYSA-N	304.346	1.683	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1C(=O)N(C)c2ccccc21	874105861	OKINTTCTKQSIIE-UHFFFAOYSA-N	315.358	1.144	50	20	DDGD	
CN(C)CC1(C(=O)NNC(=O)c2c[nH]c3ccccc23)CC1	873823919	MUGRXAXVLOPIGO-UHFFFAOYSA-N	300.362	1.271	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C2CCOCC2)n(C(C)(C)C)n1	878353049	HEZUIZRWVDSLBD-UHFFFAOYSA-N	323.397	1.526	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cc(C)cc(Br)n1	879844201	VBUOGVUIEXDATC-UHFFFAOYSA-N	317.143	1.887	50	20	DDGD	
COCCOCC(=O)NN=Cc1cc(OC)cc2c1O[C@H](C)C2	872401176	JSDPIASACZLGBP-LLVKDONJSA-N	322.361	1.132	50	20	DDGD	
Cn1ccc(NNC(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)n1	1116852225	IXMOSLKXTDGDDF-AWEZNQCLSA-N	317.368	1.667	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@](C)(O)C2CC2)c1	874951535	DNNOIZINWMGUHF-OAHLLOKOSA-N	303.387	1.147	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CCc2ncc[nH]2)c(C)c1	873761191	TZXJOXSNPYLYBQ-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
CCNC(=O)NNC(=O)c1coc(-c2ccccc2Cl)n1	776343203	RSMGWIHUGYFYGB-UHFFFAOYSA-N	308.725	1.959	50	20	DDGD	
C[C@H]1CC(=NNC(=O)COc2ccccc2[N+](=O)[O-])CCO1	773191712	KEHNZTDUVVRDHE-JTQLQIEISA-N	307.306	1.645	50	20	DDGD	
Cc1noc(CCC(=O)NNc2ccc3c(=O)[nH]ccc3c2)n1	1117154131	GTFBMFWSPNJEJY-UHFFFAOYSA-N	313.317	1.295	50	20	DDGD	
Cc1nnc(NNC(=O)CCc2ccc3[nH]ccc3c2)nc1O	776222518	NKAAPXILXIDVRF-UHFFFAOYSA-N	312.333	1.443	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)/C=C/SCc2ccco2)CC1	773672183	FYWMGTDKTVXBTP-ONNFQVAWSA-N	324.406	1.015	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C(C)C)cc1O	772035512	HHKBZUPUUSLBTL-SNVBAGLBSA-N	322.361	1.618	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCN2CCC[C@H](C)C2)c1	1119084491	UYBZXVRSXFFQIC-NSHDSACASA-N	324.450	1.732	50	20	DDGD	
COc1cc(Cl)ccc1NC(=O)NNC(=O)c1c[nH]nc1C	776072523	SVHPISXJOFZBAD-UHFFFAOYSA-N	323.740	1.847	50	20	DDGD	
COC(=O)c1cnc(C(=O)NNc2cc(Cl)ccn2)cn1	779676800	IYXJSEOXFAPVNF-UHFFFAOYSA-N	307.697	1.069	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)Cc1ccc(C)c(C)c1	771889767	DAZLDIJEDYNHCT-LBPRGKRZSA-N	306.362	1.335	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1ccc(-n2ccnn2)cc1	775592443	UDOXKTZWEKKEIX-UHFFFAOYSA-N	314.284	1.345	50	20	DDGD	
O=Cc1cn(CC(=O)NNC(=O)c2ccccn2)c2ccccc12	773694305	WAXBJGQRBRAMES-UHFFFAOYSA-N	322.324	1.310	50	20	DDGD	
C#C[C@H](NC(=O)NNc1ncnc2ccsc12)[C@H]1CCCO1	773557247	IGPJREQPNQZLRQ-GXSJLCMTSA-N	317.374	1.498	50	20	DDGD	
Cc1ccc([C@H](C)N(C)C(=O)NNC(=O)c2cccnn2)cc1	883849948	MWCWACWTXLDNDU-LBPRGKRZSA-N	313.361	1.832	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1c(F)ccc(F)c1F	776119867	NKJVZIXNANNFMM-UHFFFAOYSA-N	300.158	1.817	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2CCC=CO2)c1C	777840873	OXSCBJKRTKYKFC-HIFRSBDPSA-N	318.373	1.911	50	20	DDGD	
O=C(NC[C@H]1COC2(CCCC2)O1)NNc1ccc(F)cn1	773738583	PNTXFOWMUIKSHB-NSHDSACASA-N	310.329	1.533	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc(C(F)F)cc1F	883071972	UINYRPNNIFRYQF-UHFFFAOYSA-N	316.279	1.951	50	20	DDGD	
O=C(Cn1ccc2ccc(F)cc21)NNC(=O)C1CCOCC1	883072051	XHTYDYQYQFDKRD-UHFFFAOYSA-N	319.336	1.354	50	20	DDGD	
COC(=O)CCc1ccc(NC(=O)NNC(=O)C(C)C)cc1	782568854	OJHDRWAJLQSSAQ-UHFFFAOYSA-N	307.350	1.601	50	20	DDGD	
O=C(Cc1cccnc1)NN=C1CCOC2(CCOCC2)C1	884427263	OPQDIHIXZZYZQE-UHFFFAOYSA-N	303.362	1.456	50	20	DDGD	
Cc1cc(F)ccc1CCNC(=O)NNC(=O)C1CCOCC1	883504373	FBJOQKZCEZEZNG-UHFFFAOYSA-N	323.368	1.434	50	20	DDGD	
CCOC(=O)CC(=O)NNc1cc(Br)ccc1F	885146368	VQIWIPPCRKEQHT-UHFFFAOYSA-N	319.130	1.985	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=Cc2ccc(OC)nc2)c1	780196831	AZTFQSBTOSSIPV-UHFFFAOYSA-N	315.329	1.871	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1	789309614	WGCXTPUEMFGRRX-VHSXEESVSA-N	319.258	1.964	50	20	DDGD	
CC(C)NC(=O)CCNC(=O)[C@@H](Br)C(C)(C)C	781076030	ZWCRXSJQQCMIHU-SNVBAGLBSA-N	307.232	1.827	50	20	DDGD	
O=C(NCC[C@@H]1C[C@H]2CC[C@H]1C2)NNC(=O)C1CCOCC1	883151108	CCMKERVKQTWVDP-FPMFFAJLSA-N	309.410	1.570	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C1(c2ccccc2OC)CC1	887143216	QAXYRXJYDMIJNN-UHFFFAOYSA-N	300.358	1.678	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(-c2ccco2)cc1F	787543725	GOGOVZHHONSVED-UHFFFAOYSA-N	319.292	1.582	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=O)c1cnccn1	782836604	OHATWOZUTYYZIN-UHFFFAOYSA-N	316.277	1.160	50	20	DDGD	
Cn1cc(C(=O)NNc2nnc(-c3ccccn3)s2)cn1	788559736	BVHWMTHXVWTXSQ-UHFFFAOYSA-N	301.335	1.091	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)c2nnnn2C)cc1	787573710	AILJNROHGASYFE-UVIKPUKZSA-N	313.317	1.430	50	20	DDGD	
C[C@@H](C(=O)NNC(=S)NC(C)(C)C)N1[C@H](C)CC[C@H]1C	899995024	DYTPRJDNHPQGCR-MXWKQRLJSA-N	300.472	1.542	50	20	DDGD	
CNC(=O)COc1cccc(CC(=O)N2CC=C(C#N)CC2)c1	780689527	IAHHOQRJYGEWJO-UHFFFAOYSA-N	313.357	1.036	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNC(=O)c1cc2c(s1)CCC2	784291893	LTNUPZIYCSKIDJ-UHFFFAOYSA-N	303.387	1.959	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1C(=O)NNc1ncncc1Cl	781819412	FRNZAZHFIUTXBU-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
Cc1cccnc1NNC(=O)CCN1C(=O)c2ccccc2C1=O	791218502	AYBJXWVKHWWXPP-UHFFFAOYSA-N	324.340	1.519	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2cnc(N3CCCC3)nc2)n1	794568652	SEQVRGGCLDALDP-UHFFFAOYSA-N	310.361	1.544	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NNc1ncncc1Cl	798095993	WOSBLJWASKQHDF-GXSJLCMTSA-N	311.773	1.737	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccnc(C)c2)c1O	790569691	DBDNODRLQIHJMA-UHFFFAOYSA-N	301.302	1.179	50	20	DDGD	
COCc1ncc(C(=O)NNC(=O)c2ccccc2C)s1	794793994	IPYXDSQSFDUMOP-UHFFFAOYSA-N	305.359	1.673	50	20	DDGD	
COc1ccccc1-n1nccc1C=NNC(=O)c1cc(C)[nH]n1	797401396	JADFTLZDCMOMMT-UHFFFAOYSA-N	324.344	1.676	50	20	DDGD	
C=C[C@H](NNC(=O)c1cccc(Br)c1)C(=O)OC	799978938	UALLUVSCEOGJDE-JTQLQIEISA-N	313.151	1.411	50	20	DDGD	
CCc1ccc(O)c(C(=O)NNC(=O)NCC(F)(F)F)c1	798313724	MYIAXRJUXJDOBH-UHFFFAOYSA-N	305.256	1.461	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(S)ccc1F	798724492	SIIZHPKHSBGGIY-ZETCQYMHSA-N	314.338	1.217	50	20	DDGD	
Cc1ncsc1C(=O)NNc1ccc(-n2ccnc2)nn1	1323223365	CKZSLAQRRWSSRQ-UHFFFAOYSA-N	301.335	1.184	50	20	DDGD	
OB(O)c1c(Br)ccc(OC(F)(F)F)c1F	1775937937	XGWIDXAFXNSGLI-UHFFFAOYSA-N	302.814	1.167	50	20	DDGD	
Cc1conc1NC(=O)NNC(=O)CCc1ccccc1O	1320137958	BRXIGBSUFNBQHB-UHFFFAOYSA-N	304.306	1.474	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2ccc3c(c2)CCC3)n1	1248703992	SYPJTBBLMQZBHG-UHFFFAOYSA-N	313.361	1.800	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1NC(=O)NNC(=O)c1cccnc1	1321010492	NLIFXIDMSQVBBS-UHFFFAOYSA-N	316.365	1.579	50	20	DDGD	
Cc1c(COC(C)(C)C)cccc1NC(=O)NNC(=O)CCO	1320400482	FAQVMQHKZXUAJT-UHFFFAOYSA-N	323.393	1.845	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCc1nnc(C)n1C	1322615178	RWVPLBZSOVBGDJ-UHFFFAOYSA-N	302.382	1.821	50	20	DDGD	
COC(=O)C(=O)NN=C[C@H](CNC(=O)OC(C)(C)C)C(C)C	1256376740	NVUCBNAKMKRXRQ-JTQLQIEISA-N	315.370	1.058	50	20	DDGD	
Cc1cccnc1[C@@H](C)NC(=O)NNC(=O)Cc1cccnc1	1263080057	MDRQSLZLSCOAMG-GFCCVEGCSA-N	313.361	1.419	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@]2(F)CCOC2)cc1	1343671347	OQJDUFUVRXJNCL-AWEZNQCLSA-N	312.366	1.363	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCC[C@H](C)NC)c1ccccc1	1261376397	OCCMNBJRZFDBTK-JSGCOSHPSA-N	306.410	1.509	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2ccc(O)cc2O)c1	1342034545	GCJVCTNVXODAGK-UHFFFAOYSA-N	304.693	1.775	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc2c([nH]1)CCCC2	1344122713	AXCROLNZUGPAMN-UHFFFAOYSA-N	312.464	1.365	50	20	DDGD	
CO[C@H]1CCC[C@H]1C(=O)NNC(=O)Nc1cc(F)cc(F)c1	1358230221	ZVEJZZTVXIFYFP-NEPJUHHUSA-N	313.304	1.933	50	20	DDGD	
Cc1cc(COCC(=O)NNC(=O)CCc2ccccc2)no1	1357879814	GOHMJKGKVJCKQZ-UHFFFAOYSA-N	317.345	1.280	50	20	DDGD	
COc1cccc(C[C@H](O)C(=O)NN[C@H](C)C(F)(F)F)c1	1351617961	RWLPHSAXYRQZEJ-KCJUWKMLSA-N	306.284	1.170	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NNC(=O)[C@H]2C[C@@H]2F)n[nH]1	1519840894	JBKXNIFBZDZGQF-UWVGGRQHSA-N	318.308	1.204	50	20	DDGD	
Cc1oc(C#N)cc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1609469269	SVBAVJHRAWRTSN-UHFFFAOYSA-N	309.289	1.397	50	20	DDGD	
Cc1onc(CO)c1C(=O)NNc1ccc(C(=O)O)c(F)c1	1608058656	LXLOYBORAFBZKZ-UHFFFAOYSA-N	309.253	1.070	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1	1601558495	WXDCREJBKAWVRU-LTMDPNIMSA-N	311.729	1.009	50	20	DDGD	
CO[C@H](CNC(=O)NNc1cccc(C(=O)O)c1F)C1CC1	1606677268	YFCKEFSQHNNDPN-LLVKDONJSA-N	311.313	1.575	50	20	DDGD	
Cc1sc(C(=O)O)cc1NC(=O)NNc1ncncc1F	1600871131	SNDGJNGMPPKDDE-UHFFFAOYSA-N	311.298	1.832	50	20	DDGD	
C[C@@]1(CNC(=O)C23CC(C(=O)O)(C2)C3)C[C@@H]1Br	1604575415	KSIDUGYGFKUJJK-UDGUHVCISA-N	302.168	1.531	50	20	DDGD	
N#CC1(CNC(=O)NNc2ccc(C(=O)O)c(F)c2)CCC1	1601056742	YINNYDAZEITSII-UHFFFAOYSA-N	306.297	1.844	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C/c1nc(-c2nn[nH]n2)cs1	1609210242	HVGMNCHAMBJFIV-VMPITWQZSA-N	303.351	1.146	50	20	DDGD	
O=C(O)CC(=O)NNc1ccc([N+](=O)[O-])cc1Br	1601888282	UERMPICKFTWYRH-UHFFFAOYSA-N	318.083	1.275	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CSCCS2)cc1C(=O)O	1600462436	IIJVOWHHSJLYEP-LLVKDONJSA-N	312.416	1.985	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNc1cccc(C(=O)O)c1F	1603768407	QJNWUUGYUCFRDV-SECBINFHSA-N	311.313	1.115	50	20	DDGD	
O=C(O)/C=C\c1ccc(C(=O)NN=c2cc[nH]cc2Cl)o1	1608658139	OITAUQCFSDPRFD-RQOWECAXSA-N	307.693	1.605	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)NN=C1CCC[C@@H]1F	1549903654	BQSMOEPRVMFNMN-COPLHBTASA-N	308.357	1.882	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@@H]2C=NNC(=O)[C@@H]2CCCCO2)cn1	1552452846	HHBMRUURKRPDQW-VHDGCEQUSA-N	320.393	1.652	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCC[C@@H](N)C2)c1	1579768320	VDLLBCKCFKXTLS-VXGBXAGGSA-N	306.435	1.830	50	20	DDGD	
Cc1cc(CN)cc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	1579594387	ZVEJBHIWCFBTPV-MFKMUULPSA-N	306.366	1.031	50	20	DDGD	
CC(C)[C@@H](C(=O)O)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	1588807374	BHJFWPCGHZSYOK-SNVBAGLBSA-N	315.276	1.474	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNc2ccc(C(=O)O)cc2F)c1	1589253284	CDKLAOYZXIPAMX-UHFFFAOYSA-N	305.265	1.812	50	20	DDGD	
C[C@@]1(CNc2ccc(-c3nn[nH]n3)nn2)C[C@@H]1Br	1590135242	JKTJOYGHJPXSII-XVKPBYJWSA-N	310.159	1.242	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@@H]1F)C2	1841665903	ABDHPIRDABXBGO-UTUOFQBUSA-N	316.804	1.955	50	20	DDGD	
O=C(NCc1ccccc1C(=O)O)NNC(=O)[C@H]1CCCS1	1594771824	BFGIUZQMOOZTEE-LLVKDONJSA-N	323.374	1.111	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2C[C@@H](C(=O)O)C2)c1C	1598999134	ARMMUAIXWPQYIW-AOOOYVTPSA-N	306.318	1.336	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](C)c1ccc(OCC(=O)O)cc1	1596863658	RDDJJPXJGJEBSV-GJSJWPQCSA-N	318.329	1.771	50	20	DDGD	
N#CSCCCNC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F	1592681205	LRFVRRBFVUJALA-UHFFFAOYSA-N	324.316	1.479	50	20	DDGD	
CNC(=O)/C(C#N)=C/c1ccc(-c2nn[nH]n2)cc1C(F)(F)F	1591198113	GTOBABAKLSLTCB-RUDMXATFSA-N	322.250	1.538	50	20	DDGD	
COc1nc(C)ccc1C(=O)NNc1ccc(C(=O)O)c(F)c1	1599730079	OCQKBOPVCNABGN-UHFFFAOYSA-N	319.292	1.993	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=C1CC[C@H](C(=O)O)c2ccccc21	1776102505	RHEHRIRRGHXZLJ-GZBFAFLISA-N	316.357	1.894	50	20	DDGD	
Nc1ccc(C(=O)NN=Cc2cc(Cl)ncc2C(=O)O)cc1	1776015018	ZUSXZXZYTLONSV-UHFFFAOYSA-N	318.720	1.779	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)C1=COCCO1	12061178	AQZGNJXYKFNJQP-UHFFFAOYSA-N	312.325	1.418	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(Br)cc1OC	158733185	PTAJGNMGNLBVON-UHFFFAOYSA-N	303.112	1.459	50	20	DDGD	
C[C@@H]([C@@H](C)NS(=O)(=O)CCCCCl)N1CCOCC1	154113325	LOZRIWBNVHVRJI-NEPJUHHUSA-N	312.863	1.034	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1cc([N+](=O)[O-])c[nH]1	24120682	WAMQEROMSCQMIU-UHFFFAOYSA-N	306.253	1.066	50	20	DDGD	
O=C(CCc1cccnc1)NNC(=O)Cc1cn2ccccc2n1	102896904	ZPQVTIYLDFJPBT-UHFFFAOYSA-N	323.356	1.052	50	20	DDGD	
NC(=O)COc1ccc(NC(=O)NNc2ccccc2)cc1	114922365	UYEJMCFYDFJBFY-UHFFFAOYSA-N	300.318	1.699	50	20	DDGD	
C[C@@H](CN1CCCC1=O)NC(=O)NNc1c(F)cccc1F	172472832	WIZOVAIFCYMQFL-VIFPVBQESA-N	312.320	1.602	50	20	DDGD	
Cc1nn(C)c2sc(C(=O)NNC(=O)c3cccnc3)cc12	22001736	QWKJUUISLIBKLB-UHFFFAOYSA-N	315.358	1.413	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccnc2ccccc12	103424265	HBSZOAJTTTVUGB-UHFFFAOYSA-N	306.325	1.634	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(Cl)nc2C)nc1	179792414	QAUVNXRUBPISRY-UHFFFAOYSA-N	320.736	1.982	50	20	DDGD	
N#Cc1ccc([C@@H](NNC(=O)CC2CCCC2)C(N)=O)cc1	115598936	KVGHZVBKBGWKOJ-OAHLLOKOSA-N	300.362	1.286	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(CC(C)C)cc1	110762177	PMBZOKMRRBBWOO-UHFFFAOYSA-N	300.362	1.991	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)COc1ccccc1C#N)C1CC1	171168506	QNIBMUMLBKKEIO-SNVBAGLBSA-N	318.402	1.231	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)COCC2CC2)cc1	60606092	SUZHNIYZTZIUHB-UHFFFAOYSA-N	308.403	1.661	50	20	DDGD	
O=C(C[C@@H]1OCCc2ccccc21)NNC(=O)c1cccnc1	115315563	MRRZMMAJBZCPJM-HNNXBMFYSA-N	311.341	1.547	50	20	DDGD	
NC(=O)c1ccc(OCC(=O)NNc2ncccc2Cl)cc1	114886080	DRVMHAULXFMPAF-UHFFFAOYSA-N	320.736	1.356	50	20	DDGD	
Cc1noc2nc(C3CC3)cc(C(=O)NNc3cnccn3)c12	114877547	YNEYJZJTAPTBDE-UHFFFAOYSA-N	310.317	1.956	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H]2CCOC2)c1C	179180047	HYWMVRAKPQIKOW-LRQZKABGSA-N	317.389	1.563	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C(C)(C)c2ccc(F)cc2)cn1	117681113	GTQMTPYHNHLRNF-UHFFFAOYSA-N	304.325	1.298	50	20	DDGD	
COc1ccccc1OCCC(=O)NNC(=O)NC1CCCC1	65920220	ALKOPYFCNRLFAN-UHFFFAOYSA-N	321.377	1.737	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc3ccccn3c2)nc1	179792320	UPFRSRIZVPAOQQ-UHFFFAOYSA-N	310.313	1.878	50	20	DDGD	
CCOC(=O)NNC(=O)CCc1nc(-c2ccsc2)no1	36618294	KWZGLMBPXXGGBV-UHFFFAOYSA-N	310.335	1.508	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)CCc1ccccc1)C1CC1	126545286	CNNFSYFQNHDADB-CQSZACIVSA-N	305.378	1.375	50	20	DDGD	
Cc1nn(C(C)(C)C)cc1C(=O)NNC(=S)N[C@H](C)C1CC1	184397618	ZFUOSLDMBJNRMD-SECBINFHSA-N	323.466	1.854	50	20	DDGD	
CC(C)CSCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	78292449	KXGAMGSYUUGZQF-UHFFFAOYSA-N	311.363	1.745	50	20	DDGD	
CCOc1ccccc1NC(=O)NNC(=O)c1cnn(C)c1	182829544	REBNTGJTRYYCDR-UHFFFAOYSA-N	303.322	1.285	50	20	DDGD	
CC1CCN(CCCNC(=O)NNC(=O)c2ccc[nH]2)CC1	121164163	NUXIDCNQJTZAQP-UHFFFAOYSA-N	307.398	1.081	50	20	DDGD	
C[C@@H](CCC(C)(C)C)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1	77625047	XCPXQFJSECZGLS-SMDDNHRTSA-N	319.471	1.582	50	20	DDGD	
O=C(NNc1ccncc1)[C@@H]1CCCN1C(=O)Cc1ccccc1	180502748	MUMLSHNDLAKEKX-INIZCTEOSA-N	324.384	1.758	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H](C)c2ncc(C)s2)n1	79080806	VYYWGUZWPIRGHH-MRVPVSSYSA-N	308.367	1.637	50	20	DDGD	
CCOc1ccc(C(=O)CCC(=O)NNc2ncccn2)cc1	123943005	CGIQXBZNVQXBIM-UHFFFAOYSA-N	314.345	1.982	50	20	DDGD	
COc1cc(C)nc(NNC(=O)COc2cc(C)ccc2F)n1	120591228	YEVYNOGBOPVSSG-UHFFFAOYSA-N	320.324	1.763	50	20	DDGD	
CC(C)Oc1cncc(C(=O)NNc2cc(Cl)nc(N)n2)c1	134055582	IBUUIXRWWHIYSB-UHFFFAOYSA-N	322.756	1.651	50	20	DDGD	
COc1cc(C(=O)NN(C)C(N)=O)sc1Br	182664235	JZTQRKBPQKNXHH-UHFFFAOYSA-N	308.157	1.175	50	20	DDGD	
C[C@H](CN1CCCC1=O)NC(=O)/C(C#N)=C\c1ccc(F)cc1	182296131	GXGNGXPBWXVTGT-OJLMPMFISA-N	315.348	1.860	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2csc(Cl)c2)n1	188971533	FIFTVRUJMXYFMU-UHFFFAOYSA-N	312.782	1.676	50	20	DDGD	
CCC[C@H]1CN(CC(=O)NNC(=O)c2cccs2)CCO1	132498768	QFRLNDSLJLGIAE-NSHDSACASA-N	311.407	1.010	50	20	DDGD	
CCCCC[C@H](C)CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1	79337558	GAXLMWGNYFAOML-NWDGAFQWSA-N	318.439	1.175	50	20	DDGD	
CCn1cc(NC(=O)NNC(=O)c2ccc3ccccc3n2)cn1	48350692	HEMJIEJWAUXGRZ-UHFFFAOYSA-N	324.344	1.918	50	20	DDGD	
CC(C)C[C@@H](CCO)CNC(=O)NNc1nc2ccccn2n1	189400569	NWXDOWZQGANKHV-GFCCVEGCSA-N	320.397	1.400	50	20	DDGD	
CC(=O)CCC(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	192974558	LUUSMNJGJGMSEH-UHFFFAOYSA-N	320.317	1.495	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCOc2cccc(C=O)c2)o1	84374033	RCZAPEJYNWPXIP-UHFFFAOYSA-N	316.313	1.631	50	20	DDGD	
C[C@H]1CCC[C@@H](C)C1NC(=O)NNC(=O)Cc1cccnc1	86427517	XGWYROZVMYFOGP-ODOQXGPZSA-N	304.394	1.779	50	20	DDGD	
COc1ccnc(NNC(=O)NCCCn2nc(C)cc2C)n1	43099045	HQDVHBGXSVIAMX-UHFFFAOYSA-N	319.369	1.015	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccc(SC(F)(F)F)cc1	190046584	UUBBDDVJJUBMHB-UHFFFAOYSA-N	322.308	1.830	50	20	DDGD	
CC(=O)CSCC(=O)NNC(=O)Cn1ccc2ccccc21	192463496	QWCPJVVIPPKWGX-UHFFFAOYSA-N	319.386	1.111	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(Oc2cccnc2)cc1	194937280	XBEJNAFDHCCMLB-UHFFFAOYSA-N	300.318	1.790	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2c(C)nc3ccccn23)c1O	194025752	OAKWVIPDJPCTMG-UHFFFAOYSA-N	324.340	1.732	50	20	DDGD	
NC1(C(=O)NNc2nc(-c3ccccc3)no2)CCCCC1	237939805	YESRWVNBQFPLRQ-UHFFFAOYSA-N	301.350	1.841	50	20	DDGD	
CCc1ncsc1C(=O)NNC(=S)NCCSC	91821969	ZPEAKZVKVYQAGI-UHFFFAOYSA-N	304.466	1.177	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1cccc(CS(C)(=O)=O)c1	255020943	NPFGIZOGFIKJKN-UVTDQMKNSA-N	322.386	1.291	50	20	DDGD	
C[C@@H](CO)CNS(=O)(=O)c1ccc(CCCCl)cc1	269848720	WZAIGYROKJIHHT-LLVKDONJSA-N	305.827	1.765	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@@H](OC)C(C)(C)C)n1	266988433	SEEWMKAAYKYBTE-SNVBAGLBSA-N	311.386	1.481	50	20	DDGD	
O=C(CCCc1ccc2c(c1)CC(=O)N2)NNC(=O)C1CCC1	264832740	ZLLDYJGYAGMCIB-UHFFFAOYSA-N	315.373	1.451	50	20	DDGD	
CO[C@@H](C)CCNC(=O)NNC(=O)c1ccc(Cl)cc1F	266989246	STHAIXGSSPRWJC-QMMMGPOBSA-N	317.748	1.848	50	20	DDGD	
CC1CCN(c2ccc(C(=O)NNC(=O)C3CC3)cn2)CC1	263855536	GKNINQXXXJWXNO-UHFFFAOYSA-N	302.378	1.489	50	20	DDGD	
CC[C@H](Oc1ccccc1C)C(=O)NNc1nccn(C)c1=O	267351910	PQFHASSJCKAQCR-LBPRGKRZSA-N	316.361	1.389	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@@H]1CCc2cn[nH]c2C1	268933053	FPOOTWBVXPNRLG-MRVPVSSYSA-N	314.374	1.663	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(C)c(C)c1O	271451313	XBELUOKBXPRVDO-UHFFFAOYSA-N	321.377	1.075	50	20	DDGD	
CCNC(=O)c1ccc(C)c(NC(=O)NNC(=O)CC2CC2)c1	273287871	BPNYUFZYPUKRDY-UHFFFAOYSA-N	318.377	1.698	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNc1ccc(-n2ccnc2)nn1	278545215	FXTCIPBAUJHPJK-LLVKDONJSA-N	304.354	1.311	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)co1	276039413	XGCGIXXSYCUKIE-SECBINFHSA-N	311.338	1.262	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@H](OC)C1CC1	279162904	BXCVRTKGSMYCLQ-OAHLLOKOSA-N	322.361	1.037	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)COC(C)(C)C)cc1	272167658	FNONHGRURCXNLJ-UHFFFAOYSA-N	309.366	1.070	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H]1Oc2ccccc2O[C@H]1C	274017253	AZZCHBUVBXHCFG-CABZTGNLSA-N	316.317	1.157	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)[C@H]2CCCCS2(=O)=O)c1	275090502	USFPZKROIVMZDM-GFCCVEGCSA-N	300.355	1.545	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@]1(C)CCCOC1	272595505	DEMIHYUNLUURJO-ZBEGNZNMSA-N	324.352	1.557	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H](C)c2nnc(C)s2)n1	273698360	OLDHEVBCQUFBTI-ZETCQYMHSA-N	308.367	1.637	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@H](CC(N)=O)C1	377166978	COMFZVNVNFDAJD-LLVKDONJSA-N	312.801	1.076	50	20	DDGD	
O=C(NNC(=O)c1nc2cccnc2s1)NC1CCCC1	283435021	VRZCEMBRXQEEIR-UHFFFAOYSA-N	305.363	1.578	50	20	DDGD	
CCc1nn(C)c(CC)c1CC(=O)NNc1cccc(F)n1	286704559	YTIFTMLHRAPJTL-UHFFFAOYSA-N	305.357	1.765	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1sccc1Cl	287784068	LANJYKLGAWVCAY-UHFFFAOYSA-N	320.798	1.952	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cn(C(C)C)cn2)cc1	281962163	KNFFRXORFPBUTM-UHFFFAOYSA-N	315.377	1.646	50	20	DDGD	
COCCN(C)NC(=O)c1cnc(OCC(C)C)c(Cl)c1	288321269	DHDSDCQYOMBCDI-UHFFFAOYSA-N	315.801	1.993	50	20	DDGD	
O=C(CC1CC(c2ccccc2)C1)NNC(=O)N1CCOCC1	281674173	RBHVHVQYDTUBSW-UHFFFAOYSA-N	317.389	1.643	50	20	DDGD	
O=C(NNc1ncccc1F)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	286848180	XQWSXWLAOKIAKK-WCQGTBRESA-N	306.341	1.804	50	20	DDGD	
C=CC[C@@H](CC)NC(=O)NNC(=O)Cc1ccccc1OC	281288823	ILMGRBHXYHEMCY-CYBMUJFWSA-N	305.378	1.923	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Nc1c(C)ccnc1C	287569724	QBHSPPQIXFFILR-UHFFFAOYSA-N	324.381	1.640	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H](C)C2CCOCC2)n1	280825054	JBPPFOSKOOMJRB-NSHDSACASA-N	306.366	1.149	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@H](CO)C(C)C	805318541	KPCQXTGHNLNNGJ-GFCCVEGCSA-N	301.818	1.733	50	20	DDGD	
O=C(CN1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1)NNC(=O)c1ccccc1	292962488	JNTFQVSAFVILPU-VGWMRTNUSA-N	313.401	1.426	50	20	DDGD	
O=C(CCCn1cccn1)NNc1nccnc1C1CCC1	805459795	AUFLICUFYSBYKX-UHFFFAOYSA-N	300.366	1.864	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)c2cncs2)cc1OC	807310049	XOYDBKSDLJVMCA-UHFFFAOYSA-N	321.358	1.625	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)NC1Cc2ccccc2C1	296639875	MEYUVGAASKRSMO-AWEZNQCLSA-N	303.362	1.053	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cccc2c1CCCC2	294814898	VPFJBYMVFBBSDY-UHFFFAOYSA-N	305.378	1.546	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cc3n(n2)CCC3)c1	296695664	DJNLETMOAOTESW-UHFFFAOYSA-N	300.318	1.373	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)C1(O)CCSCC1	803436745	ZXPOSJOKQKOJDV-UHFFFAOYSA-N	319.386	1.229	50	20	DDGD	
C#CCCCCCC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	801107998	CPIKDAFVQJBRCM-UHFFFAOYSA-N	315.373	1.665	50	20	DDGD	
COCCOc1ccccc1C(=O)NNC(=O)[C@@H]1CCCCO1	295305091	FJKWMNXHOXMQFK-AWEZNQCLSA-N	322.361	1.042	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@H]2C[C@H]2c2cccc(F)c2)O1	297074962	DQAFLPMKUJYHOB-HBEIAFGSSA-N	321.352	1.580	50	20	DDGD	
CN1C(=O)CCc2cc(C(=O)NNc3ncccc3F)ccc21	804212509	XTEXFGKOWBDPNN-UHFFFAOYSA-N	314.320	1.887	50	20	DDGD	
COc1cc(C(C)=NNC(=O)COc2ccccc2O)on1	814952922	GBXHDRCPRKBNFS-UHFFFAOYSA-N	305.290	1.308	50	20	DDGD	
CSc1ncc(Cl)c(C(=O)NNc2ncncc2F)n1	817080584	UYGUYMLECSNEDS-UHFFFAOYSA-N	314.733	1.538	50	20	DDGD	
CN(NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)C1CC1	819652418	OUZJGHBNEILHMM-GFCCVEGCSA-N	302.353	1.649	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H]1CCc2nncn2C1	816663222	NXOGAHYJXBYDEA-SNVBAGLBSA-N	316.321	1.200	50	20	DDGD	
COc1ccc(NCC(=O)NN=C(C)c2cc(OC)no2)cc1	814707997	BFAUMDPMNVYQQY-UHFFFAOYSA-N	318.333	1.644	50	20	DDGD	
O=C(O)c1cc(C=NNC(=O)[C@H]2COc3ccccc3O2)c[nH]1	814701365	WGKIYXZTFIJSHF-CYBMUJFWSA-N	315.285	1.003	50	20	DDGD	
COc1ccc(Cl)cc1CC(=O)NNc1ncncc1F	817078171	ZBWDMGKUYCYZQG-UHFFFAOYSA-N	310.716	1.964	50	20	DDGD	
C[C@@H]1SCCC1=NNC(=O)c1nn(C)c(=O)c2ccccc12	814739681	ZQRXGXZCHUPXGZ-VIFPVBQESA-N	316.386	1.545	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN(Cc2ccccc2)C1)c1ccc[nH]1	816823607	ADWHXNFSKLCPCL-AWEZNQCLSA-N	312.373	1.298	50	20	DDGD	
C=CCOCC(=O)NNC(=O)[C@H](C)Oc1ccc(OCC)cc1	729299625	FHRPVQCYHABISL-LBPRGKRZSA-N	322.361	1.203	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccc(NC(N)=O)cc2)c1	728873521	YOLXENCOIJJPNI-UHFFFAOYSA-N	323.312	1.124	50	20	DDGD	
C[C@@H](C=NNC(=O)N=c1cc[nH]cc1)CNC(=O)OC(C)(C)C	495652093	ONIXOCRWBCYXQM-LLVKDONJSA-N	321.381	1.772	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C)CC(F)(F)F	826969337	ZRFZHKPNRONSES-CIUDSAMLSA-N	311.304	1.330	50	20	DDGD	
COCCN(C)NC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C	495813837	JXHPCGWATLSQPT-NSHDSACASA-N	303.403	1.099	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)/C=C/c2cnccc2C)nc1	492424649	KERKVVYCSWPRBJ-GQCTYLIASA-N	312.329	1.728	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCc1nccn1C(F)F	726709409	LVJDUDQCRLDNIU-UHFFFAOYSA-N	315.202	1.061	50	20	DDGD	
CCc1nc2ccc(Cl)cn2c1C(=O)NN(C)C[C@H](C)O	823552756	FKWPUVIGVNHHRL-VIFPVBQESA-N	310.785	1.508	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NN=Cc1ccc(O)nc1	496585751	WZBAEEQQWVKYOQ-UHFFFAOYSA-N	308.338	1.152	50	20	DDGD	
COC(=O)N(C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12	496762360	CLHMTQWQZMBCSP-UHFFFAOYSA-N	306.278	1.348	50	20	DDGD	
CC[C@@H](C)[C@H](C)NC(=O)NNC(=O)CNC(=O)OC(C)(C)C	494456565	UYLHWFMFINRAOI-ZJUUUORDSA-N	316.402	1.276	50	20	DDGD	
COc1ccc(NNC(=O)CN(C)CCc2ccccc2)nc1	822278440	WRWQZVXJRYGORS-UHFFFAOYSA-N	314.389	1.708	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)C1(c2cccc(F)c2)CCOCC1	821218346	ZLJDBGJKTCBPIE-GFCCVEGCSA-N	310.369	1.218	50	20	DDGD	
COC(=O)N(C)CCNC(=O)NNc1ccccc1Cl	822798752	YQSBBPQGIKSOIM-UHFFFAOYSA-N	300.746	1.664	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NN(C)[C@H](C)CO)no1	823970477	HKYCKKKFTWZHOO-SNVBAGLBSA-N	305.334	1.308	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2cccc(Br)n2)CO1	828439042	CGSNZLJEYFOJQB-SFYZADRCSA-N	315.171	1.648	50	20	DDGD	
CSc1ccc([C@@H](C)NCc2cccc(B(O)O)c2)cc1	585038964	LASUZHZVOZOJAJ-GFCCVEGCSA-N	301.220	1.939	50	20	DDGD	
Cc1cc(CS(=O)(=O)NN(C)C(=O)OC(C)(C)C)on1	496927514	DIOYXGFVSUPAMX-UHFFFAOYSA-N	305.356	1.184	50	20	DDGD	
COc1ccc(C[C@H](C)CNCc2cccc(B(O)O)c2)cc1	585032360	UFWYLSCPVWMATJ-AWEZNQCLSA-N	313.206	1.343	50	20	DDGD	
CCS[C@@H]1CCCCN(C(=O)c2cccc(B(O)O)c2)C1	584946035	WCJHPWCXBCJEPI-CQSZACIVSA-N	307.224	1.114	50	20	DDGD	
Cc1nn(C(C)C)c(C)c1NC(=O)c1cc(B(O)O)ccc1F	584932501	NEJRSWCUKXRNSU-UHFFFAOYSA-N	319.145	1.152	50	20	DDGD	
CO[C@H](c1ccccc1F)[C@@H](C)NCc1cccc(B(O)O)c1	585033042	VWPXECBBOVCVTG-PXAZEXFGSA-N	317.169	1.371	50	20	DDGD	
CON(CC1CCOCC1)C(=O)[C@]1(C)C[C@H]1Br	908047922	CLNCPFPZNMXJNB-ZYHUDNBSSA-N	306.200	1.977	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H]2CNC(=O)C2)c1C	490844734	RDYUDMCKKVNQPV-KEQVLUGWSA-N	314.389	1.427	50	20	DDGD	
C#CCC[C@@H](O)CNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	490871662	AKSRIZOUMXYUTM-ACQAZONXSA-N	310.357	1.003	50	20	DDGD	
C[C@@H](NCc1ccc(B(O)O)cc1)[C@@H](C)Oc1ccccc1F	585028672	MUXVFBMXCZUUMB-CHWSQXEVSA-N	317.169	1.451	50	20	DDGD	
CCOc1cc(/C=C(/C#N)C(=O)NCCOC)ccc1OC	490587804	JVVLOQSYTBJAGN-LCYFTJDESA-N	304.346	1.763	50	20	DDGD	
C[C@@H]1COCCC1=NNC(=O)NCCNC(=O)OC(C)(C)C	492653856	JVPGTLQQOXOLAV-SNVBAGLBSA-N	314.386	1.223	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H](c1cccs1)C1CC1	825660399	PCJPSPIRRAIHDM-NDMJEZRESA-N	323.418	1.955	50	20	DDGD	
COc1cc(C(=O)NNC(=O)NC2CCC2)ccc1OC(C)C	730584015	RZLDGFRUUAOXTE-UHFFFAOYSA-N	321.377	1.979	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1sccc1-n1ccnn1	496634854	YIRXLRLPAPWPKK-UHFFFAOYSA-N	309.351	1.498	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)[C@@H]1CCCCO1)c1ccncc1	836340630	MROKSIWYPSFKFC-YPMHNXCESA-N	306.366	1.085	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H](O)c1ccccc1C(F)(F)F	900416988	KNFKGLSEVDQKMF-SNVBAGLBSA-N	319.283	1.478	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1	494742649	PQIIRROZKJOGBY-UHFFFAOYSA-N	307.350	1.281	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1CCO[C@@H](c2ccccc2)C1	585037357	ZVJSBHAVTAKUOH-SJLPKXTDSA-N	311.190	1.376	50	20	DDGD	
C[C@@H](CNC(=O)NNc1cc(C(F)(F)F)ccn1)N(C)C	836622803	GUIUQLZLGRDYLL-QMMMGPOBSA-N	305.304	1.677	50	20	DDGD	
O=C(Nc1ccccc1N1CCCCC1)c1cccc(B(O)O)c1	584924305	HEPLUDFZXMGYHV-UHFFFAOYSA-N	324.189	1.609	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)ccc1[N+](=O)[O-]	831616796	PSWYCWFDJCOFQS-ONGXEEELSA-N	322.321	1.481	50	20	DDGD	
CC(=NNC(=O)c1cccn1C)c1ccc(-c2nn[nH]n2)cc1	735451207	TVWDPKQQHWMIKZ-UHFFFAOYSA-N	309.333	1.359	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCCOc3ccc(F)cc32)o1	585018969	YGLGVISFBUFEPU-CYBMUJFWSA-N	305.114	1.102	50	20	DDGD	
COCCCNC(=O)NN=C1C(=O)Nc2c(F)ccc(C)c21	732712442	HMZQYSABWQKJTE-UHFFFAOYSA-N	308.313	1.126	50	20	DDGD	
O=C(Nc1ccccc1)Nc1ccc(C(=O)NCB(O)O)cc1	585057268	BBEKYCZDOHBLPE-UHFFFAOYSA-N	313.122	1.072	50	20	DDGD	
Cc1cc(O)cc2c1C(=O)C(=NNC(=O)[C@@H]1CCCCO1)O2	834989006	OPZULNDKTYBNHN-JTQLQIEISA-N	304.302	1.275	50	20	DDGD	
CCS[C@H]1CCC[C@H](NCc2ccc(B(O)O)cc2F)C1	585031129	RMZBXXGGUGVFKS-KBPBESRZSA-N	311.231	1.659	50	20	DDGD	
Cc1nc2cc(F)cc(C(=O)N3CC[C@@H](B(O)O)C3)c2nc1C	585069237	JXNCDXYWHZQMNM-SNVBAGLBSA-N	317.129	1.075	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1c(C)cnn1C	839459045	DQYMAOJLQVVHNH-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	831677917	NNDCBVVZUMHSSU-MWLCHTKSSA-N	322.321	1.481	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](F)C(F)(F)F)c1F	837061824	SVJHGTQLNAKOAP-MRVPVSSYSA-N	312.194	1.956	50	20	DDGD	
OB(O)c1ccc(CNCc2cc3c(s2)CCSC3)o1	585029549	APWMKWODZKFHLR-UHFFFAOYSA-N	309.221	1.100	50	20	DDGD	
CCS[C@H](C)c1noc(COc2ccc(B(O)O)cc2)n1	584909891	JULQYVOUALCYHI-SECBINFHSA-N	308.168	1.143	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCCO1)c1cccc(OCC(=O)O)c1	834987803	BULJWJMLCJDKIW-AWEZNQCLSA-N	320.345	1.559	50	20	DDGD	
COc1ccc(C(=O)CCCC(=O)NN(C)C[C@H](C)O)cc1	910169810	GDNDHXNMOLWPMG-LBPRGKRZSA-N	308.378	1.392	50	20	DDGD	
O=C(CNC(=O)c1ccccc1)NNc1cnnc2ccccc12	733812808	HGAMVJOUTWDXJE-UHFFFAOYSA-N	321.340	1.503	50	20	DDGD	
O=C(NC[C@H]1C[C@H](O)C1)[C@@]12CC[C@@H](C[C@H]1Br)C2	834760473	KZPLUOKPTRYFIF-HKLXJQGRSA-N	302.212	1.827	50	20	DDGD	
O=C(Nc1ccccn1)[C@H]1CCCN(S(=O)(=O)CCl)C1	830079238	QVVUOGVHUYCXEV-JTQLQIEISA-N	317.798	1.258	50	20	DDGD	
NC(=O)N1CCC[C@H]1C(=O)NNc1cccc(Cl)c1Cl	838349398	QOJZHIHBHJOXJI-VIFPVBQESA-N	317.176	1.980	50	20	DDGD	
O=C(NCCc1ccccc1[N+](=O)[O-])NNc1ncccn1	745882888	YROYDWYEPAGAHH-UHFFFAOYSA-N	302.294	1.254	50	20	DDGD	
C[C@]1(C(=O)NNc2ncc(Cl)cn2)C[C@@H]1Br	912826080	MMOPIOOKFRGZNX-RCOVLWMOSA-N	305.563	1.747	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)COC2CCCC2)cc1C	916107644	FPKJGXRGAPKCRH-UHFFFAOYSA-N	320.389	1.789	50	20	DDGD	
Cn1nc2c(c1C(=O)NC[C@]1(C)C[C@H]1Br)CCC2	912827384	NHIRTQJRCWJKKW-MFKMUULPSA-N	312.211	1.812	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])C1(C(=O)NC2CC2)CC1	749719912	HKSBSEWJNGRBLS-UHFFFAOYSA-N	304.306	1.097	50	20	DDGD	
CCN1CCC(=NNC(=O)Cc2cn3ccccc3n2)[C@H](C)C1	747638308	KQSFWASCNMRZFA-CYBMUJFWSA-N	313.405	1.711	50	20	DDGD	
O=C(NN=Cc1cnc(N2CCCC2)nc1)NC1CCCC1	743531029	AIGKHWDNYCKPOX-UHFFFAOYSA-N	302.382	1.653	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cc(F)cc2nccnc12	917663220	NJPIJTGYXHDASG-UHFFFAOYSA-N	302.309	1.720	50	20	DDGD	
N#Cc1csc(C=NNC(=O)[C@@H]2COc3ccccc3O2)c1	748073952	ASHVBMHMCZMNKM-AWEZNQCLSA-N	313.338	1.910	50	20	DDGD	
COC(=O)c1cccc(NC(=O)NNC(=O)OC(C)(C)C)n1	844785879	CWQRWMIUSPYNIV-UHFFFAOYSA-N	310.310	1.429	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1ccc(O)c([N+](=O)[O-])c1	749608247	KJQIFMIUJVCIQB-UHFFFAOYSA-N	308.294	1.066	50	20	DDGD	
CC(=NNC(=O)c1ccncc1)c1ccc(S(C)(=O)=O)cc1	916540048	KYIBUJXGQVVSBY-UHFFFAOYSA-N	317.370	1.639	50	20	DDGD	
Cc1c(C(=O)NN(C)C[C@H](C)O)cnn1-c1ccc(Cl)cc1	910174656	HFSVAAKCXKBNIQ-JTQLQIEISA-N	322.796	1.792	50	20	DDGD	
CC(C)[C@@H](C(=O)NN(C)C[C@@H](C)O)N1Cc2ccccc2C1=O	910140064	GQOUKKJKAPWUQS-DOMZBBRYSA-N	319.405	1.011	50	20	DDGD	
COc1cc(C(C)=NNC(=O)[C@H]2CCO[C@@H]2C)c(OC)cc1O	842555193	QNBPWCANJVAJLZ-MNOVXSKESA-N	322.361	1.675	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H]2CCC(=O)C[C@H]2C)cc1	846378227	UVWPYTFGPMEKDR-IAQYHMDHSA-N	318.373	1.851	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)COCc1ccccc1)c1ccco1	741570261	NAEGCNQWYDIKMD-GFCCVEGCSA-N	302.330	1.747	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CCc1ccccc1O)c1ccco1	743338102	INPVHQFMQRXBBR-NSHDSACASA-N	302.330	1.869	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1cc(C)n(C)n1	917523143	UWPUDQHMWWXNEY-UHFFFAOYSA-N	322.752	1.465	50	20	DDGD	
CCCN(C)CC(=O)NNC(=O)COc1cc(C)cc(C)c1	741206337	AIPFIXHHTBQGNO-UHFFFAOYSA-N	307.394	1.171	50	20	DDGD	
CN(C)C(=O)NNC(=O)CN[C@@H](c1ccccc1)C(F)(F)F	746185831	ZBEZPNNXRUWWEL-NSHDSACASA-N	318.299	1.182	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1(c2ccccc2F)CC1	843654130	ZGQPEDNFGFMZRP-WDEREUQCSA-N	306.337	1.430	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCCc2ccc(O)cc2)cc1	749347303	RADQONFGRXALFO-UHFFFAOYSA-N	324.340	1.451	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)CNc2ccccc2F)[C@H]1OC	841604703	UJRGDFTULBMCCD-UKRRQHHQSA-N	309.341	1.534	50	20	DDGD	
CCN[C@H](C)CNC(=O)NNC(=O)CCCc1ccccc1	841984931	MWEGZDDEEDCEST-CYBMUJFWSA-N	306.410	1.338	50	20	DDGD	
COCC1(CC(=O)NNC(=O)COc2ccccc2F)CC1	843753299	OQKBDXLZDVYVIY-UHFFFAOYSA-N	310.325	1.169	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)[nH]c1C	842562836	ZKEIMGGJBZNOHH-ZYHUDNBSSA-N	307.350	1.375	50	20	DDGD	
O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1cccc(Cl)n1	749484665	LBHUBVUGSOQMRP-UHFFFAOYSA-N	320.692	1.718	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(C)c1	841616583	PXPWZYUYGFGNDQ-GFCCVEGCSA-N	324.402	1.279	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccc3c(c2)C[C@@H](C)O3)nn1	926455525	HTGYJKCTEOPQGJ-LLVKDONJSA-N	313.361	1.935	50	20	DDGD	
Cc1cccc(O[C@@H](C)CNC(=O)NNC(=O)c2cn[nH]c2)c1	858252723	QOGTTWADMSXDFN-NSHDSACASA-N	317.349	1.130	50	20	DDGD	
Cc1cccnc1NNC(=O)c1ccc(-n2nnnc2C)cc1	857493708	JNDRBABGOAPLHL-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
Cc1ccc(C#N)cc1NC(=O)NNC(=O)CC(F)(F)F	756261486	DSPBPZLJYYRXMK-UHFFFAOYSA-N	300.240	1.972	50	20	DDGD	
C=C(C)CN(C)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	852591699	YFTJYLOISQDUDH-UHFFFAOYSA-N	312.414	1.178	50	20	DDGD	
CCN1CCC[C@H](NC(=O)NNc2ccc(Cl)nc2)C1=O	925971434	YWMCNAGUEZFQEX-JTQLQIEISA-N	311.773	1.372	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@@H](C)CS(C)(=O)=O	853732671	IQAUGUCZKLMEMB-VIFPVBQESA-N	303.359	1.193	50	20	DDGD	
Cn1cc(CNC(=O)NC[C@]2(C)C[C@H]2Br)cn1	856826150	GZIBYHOOTBNJEJ-KOLCDFICSA-N	301.188	1.393	50	20	DDGD	
NC(=O)c1cccc(C=NNC(=O)CCc2ccccc2O)c1	755701168	ZYIOSMJNXGVDFO-UHFFFAOYSA-N	311.341	1.574	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1C[C@H](C)C(F)(F)[C@@H](C)C1	858572142	OQEADUQSLMAFBO-NAKRPEOUSA-N	319.352	1.375	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(C(F)(F)F)nn2)nn1C	755193570	GXKMHIULNRPMAN-UHFFFAOYSA-N	300.244	1.294	50	20	DDGD	
O=C(NC[C@H]1CCCN1CC(F)(F)F)NNc1cccnn1	926519869	NDMTULXYADHUNI-SECBINFHSA-N	318.303	1.129	50	20	DDGD	
CC(CCc1ccccc1)=NNC(=O)N[C@H]1CCS(=O)(=O)C1	920382452	YBRTXIQXMTXGHS-AWEZNQCLSA-N	323.418	1.481	50	20	DDGD	
COC(=O)c1cc(NNC(=O)N[C@@H]2COC[C@H]2C)ccc1F	926017583	IGUVFOIISJQHHM-PRHODGIISA-N	311.313	1.273	50	20	DDGD	
CC(=NNC(=O)c1csc(N2CCOCC2)n1)c1ccoc1	755889158	UIUACMHOGIWGOC-UHFFFAOYSA-N	320.374	1.727	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C[C@H](C)COC	755626574	OZRFIWSIMLJRFR-LBPRGKRZSA-N	308.378	1.448	50	20	DDGD	
Cc1noc(C)c1[C@H](C)C(=O)NNC(=O)c1cccc(Cl)n1	857325956	NJWHVPICUAIECN-ZETCQYMHSA-N	322.752	1.905	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1c(C(C)C)nn(C)c1Cl	854924876	VYXCFIHDXIXXBA-UHFFFAOYSA-N	303.819	1.278	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCC[C@H](C)CO)c1C	853917571	ZFTPVUCOPFFPBW-NSHDSACASA-N	323.393	1.816	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl	854921891	QQINLTNTWQQWPG-UHFFFAOYSA-N	316.770	1.638	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)c1cn[nH]c1)c1ccccc1F	858168353	SBMQIFMXSSKKAG-UHFFFAOYSA-N	319.340	1.471	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(OC)cc(Cl)c1F	854927528	KXNPBUYLQYVUMF-UHFFFAOYSA-N	305.762	1.569	50	20	DDGD	
CCn1cnc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)c1	854217233	LOUWNXQTVBSPMC-JTQLQIEISA-N	320.324	1.271	50	20	DDGD	
CCO[C@@H]1COCC[C@H]1NC(=O)NNc1cc(Cl)ccn1	759305667	HNHBSLQRRIAGEV-GHMZBOCLSA-N	314.773	1.555	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-]	854924934	XKWXTRWTVOQHLV-UHFFFAOYSA-N	300.315	1.123	50	20	DDGD	
Cc1cc(NNC(=O)Cc2ccn(-c3ccccc3)n2)nc(C)n1	757386286	BXLWBKJVKCLDBJ-UHFFFAOYSA-N	322.372	1.965	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)c1ccccc1F	859407018	ZPPYDBFYHLRMQW-UHFFFAOYSA-N	304.277	1.371	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(Br)c(F)cc1F	757870145	BMRJOJGJNBXDCZ-UHFFFAOYSA-N	308.082	1.301	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](C)n2cncn2)c1C	855625232	BLUQSSWETDEKQX-SNVBAGLBSA-N	303.322	1.077	50	20	DDGD	
O=C(NN=C1CCCn2nccc21)Nc1ccc2c(c1)OCO2	853352557	ZLWJRNAHGNJBFS-UHFFFAOYSA-N	313.317	1.931	50	20	DDGD	
Cc1noc(C)c1NC(=O)NNC(=O)c1ccc(Cl)nc1	756287216	POVCIJYPSAVNKL-UHFFFAOYSA-N	309.713	1.806	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNC(=O)Cn1cnc2ccccc21	858132133	SWUYPGCBHHYJDE-AWEZNQCLSA-N	318.377	1.389	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2c[nH]c3ncccc23)n1	753457108	IGUNCEQJVKSYTC-UHFFFAOYSA-N	303.713	1.345	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)CCO1	852239826	VHHUTWVWBGIZFL-JQWIXIFHSA-N	324.356	1.368	50	20	DDGD	
Cc1cn2ccnc(C(=O)NC[C@]3(C)C[C@@H]3Br)c2n1	857391124	LLMNMQVYXASRMM-ZANVPECISA-N	323.194	1.941	50	20	DDGD	
CCN(CCN)S(=O)(=O)c1ccc(CCCCl)cc1	858618514	BBQLPFAOPHBGGI-UHFFFAOYSA-N	304.843	1.827	50	20	DDGD	
O=C(NN=Cc1ccc(F)c2cccnc12)C(=O)NC1CC1	759197849	WPUFGIDWYUFOLW-UHFFFAOYSA-N	300.293	1.103	50	20	DDGD	
CC1CC(C#N)(C(=O)NNC(=O)c2cccc3ncccc23)C1	758226888	KJAMOCHESDADRC-UHFFFAOYSA-N	308.341	1.936	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccc[nH]1)N(C)C(=O)OC(C)(C)C	854277729	IWPSKOGLPBUQKD-LLVKDONJSA-N	324.381	1.421	50	20	DDGD	
Cc1cccc(CC(=O)NNc2nnc(C)c(O)n2)c1Cl	754173873	JRAQWLRGKROIAL-UHFFFAOYSA-N	307.741	1.533	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC(c2ncco2)CC1	931444291	HHTNZKOZGQKYTA-UHFFFAOYSA-N	308.382	1.048	50	20	DDGD	
C[C@@H](NNC(=O)[C@@H]1CCCN1C(=O)C(C)(C)C)C(F)(F)F	862306571	CCAVHUPUMKQTEU-BDAKNGLRSA-N	309.332	1.595	50	20	DDGD	
Cc1cc(C(F)(F)C(=O)NNC(=O)NC(C)C)cnc1Cl	930996312	MYXMNPBWGQQMEG-UHFFFAOYSA-N	320.727	1.874	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)n1	862524759	UDMGIQBYXFVKFD-GFCCVEGCSA-N	302.378	1.624	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(OCC(C)C)cc1	863145738	LZVPGZLWVHVZCO-HNNXBMFYSA-N	317.389	1.840	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)c1cncc(F)c1	764045293	IVDWPXMQJHRNSL-UHFFFAOYSA-N	321.333	1.480	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccnc1)c1ccc(C)o1	763194854	HOPWCYMJDYZYBF-UHFFFAOYSA-N	300.318	1.253	50	20	DDGD	
NC(=O)NCCCCC(=O)NNc1ccc(F)c(Cl)c1	863078822	NMAXXVXSWGDTQQ-UHFFFAOYSA-N	302.737	1.761	50	20	DDGD	
COC(=O)NNC(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1	863854123	JBNYTTLLBWOLQH-GFCCVEGCSA-N	311.769	1.692	50	20	DDGD	
Cc1nc(C(C)(C)C)nc(O)c1C(=O)NN[C@H](C)C(F)(F)F	862311569	OVDPXPUNQLZQBU-SSDOTTSWSA-N	320.315	1.973	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccccn2)c([N+](=O)[O-])cc1O	767016261	LRHUIYDFQUNWAK-UHFFFAOYSA-N	316.273	1.468	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1Cc2ccccc2[C@H](C(=O)OC)C1	863571018	OUMLMKJARFMJKH-BMOGTNHUSA-N	314.341	1.729	50	20	DDGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCN2C(=O)CC[C@H]2C1	766267830	AJHNLRMXHUXJHU-FQNPWXFGSA-N	312.329	1.766	50	20	DDGD	
O=[N+]([O-])c1ccc(Cl)cc1COc1ccc(B(O)O)cc1	864048383	UKBBGDBUWMRPJR-UHFFFAOYSA-N	307.498	1.507	50	20	DDGD	
CCn1nncc1CNC(=O)c1c(C)nn(CCCl)c1C	862361968	OLWKQASKUXVZRY-UHFFFAOYSA-N	310.789	1.280	50	20	DDGD	
Cn1nc(C2CCOCC2)cc1NC(=O)NN=c1cc[nH]cc1	861517760	QHADSVJLCFROLE-UHFFFAOYSA-N	316.365	1.280	50	20	DDGD	
CC(C)C[C@H](C(=O)NN[C@@H](C)C(F)(F)F)N1CCCCC1=O	862310717	DNPJQRSREWFCFC-WDEREUQCSA-N	323.359	1.985	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@@H]2CCSC2)cc1	761812603	LVNPWWBPMGIZRR-LLVKDONJSA-N	310.444	1.988	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CSc2ccccc2O)n1	764045790	RQZWAPSIJDYARV-UHFFFAOYSA-N	317.370	1.649	50	20	DDGD	
CC(=O)NNC(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1	765181365	OBLNCRPSMXMVDQ-NSHDSACASA-N	311.313	1.556	50	20	DDGD	
COC(=O)c1cccc(NC(=O)NNc2nccnc2OC)c1	764618671	LHEGUIGQCJQZGP-UHFFFAOYSA-N	317.305	1.420	50	20	DDGD	
O=C(NN=Cc1cc(F)cc2cccnc12)N1CCOCC1	760253132	AQVJLNHCRVTRGR-UHFFFAOYSA-N	302.309	1.750	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCc1ccccc1C	772086163	BBDSEYMHNCYSFI-GFCCVEGCSA-N	306.362	1.417	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1cc(Cl)c(N)c(Cl)c1	1116378077	XRZVUKHAVCGIMT-UHFFFAOYSA-N	304.133	1.589	50	20	DDGD	
CCc1cc(C(=O)NNc2cc(Cl)nc(C)n2)cc(O)n1	778506168	MXWYDWYPJYYBLF-UHFFFAOYSA-N	307.741	1.858	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)[C@H]1CCCOC1	779757971	NJSYIUKSRVFOMQ-WFASDCNBSA-N	304.346	1.745	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2ccc(F)c(F)c2F)n1	773491819	ZXFHBSSGVAWNEV-UHFFFAOYSA-N	324.262	1.889	50	20	DDGD	
CC(C)c1c(C(=O)NN(C)C(N)=O)cnn1-c1ccccn1	778412309	SSELDWHARSJOEC-UHFFFAOYSA-N	302.338	1.046	50	20	DDGD	
C#CCCCNC(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	770542781	AHPGIBJSIPRAOI-LLVKDONJSA-N	323.780	1.851	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1ccc(Cl)cn1	774339883	BTVSYICHKLXSFS-NSHDSACASA-N	324.812	1.544	50	20	DDGD	
O=C(COC(=O)C1=CCCCCC1)NNC(=O)c1ccccc1	775050523	CTPUYVRGQVSEIQ-UHFFFAOYSA-N	316.357	1.881	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@@H](C)COCC(F)(F)F)n1	875171917	UGIKLAXAUZREGH-VIFPVBQESA-N	306.288	1.984	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NN=Cc1cn(C)nn1	773093947	PAKZCPYTHNKOPA-VIFPVBQESA-N	307.741	1.386	50	20	DDGD	
CCOC(=O)c1cnc(C)c(C(=O)NNc2cccnn2)c1	775605728	HKYACAWCWUBEGJ-UHFFFAOYSA-N	301.306	1.114	50	20	DDGD	
N#CSCCCNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1	773585267	MBXOJIIIYWAQDB-LLVKDONJSA-N	307.375	1.349	50	20	DDGD	
CC(=O)NCCc1cn(/C(Cl)=C\CBr)nn1	881311008	WFIWFHXOAAWUHJ-MBXJOHMKSA-N	307.579	1.389	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1CCCN(C(=O)[C@@H](C)CC)C1	887142887	DKGSXZNMWKMKJY-KBPBESRZSA-N	321.421	1.222	50	20	DDGD	
COCCN(C)NC(=O)Nc1nnc([C@H]2CCCO2)s1	880883765	PUIVJKYSYNPOHS-MRVPVSSYSA-N	301.372	1.004	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CCC[C@H]2OC)cc1F	1120742520	DLUZNXZMWHXEMU-DGCLKSJQSA-N	310.325	1.871	50	20	DDGD	
COCCN(Cc1cccnc1)S(=O)(=O)CCCCl	881858989	PVKQAGBXCVYOAH-UHFFFAOYSA-N	306.815	1.489	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CSc1nccn1C(C)(C)C	887142858	COILSCLOFWVGIU-UHFFFAOYSA-N	322.434	1.681	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CN2C[C@H]3C[C@H]3C2)cc1C	886344388	DFAHHFBVPGLLHV-PHIMTYICSA-N	307.419	1.332	50	20	DDGD	
O[C@]1(Cc2cn(/C=C\CBr)nn2)CCSC1	881294860	FISQRVHUMZEWCI-GZXOQBQISA-N	304.213	1.554	50	20	DDGD	
C[C@H](CNS(=O)(=O)CCCCl)N1CCc2ccccc21	881780780	CZFAYCTUSLWRNS-GFCCVEGCSA-N	316.854	1.986	50	20	DDGD	
CCc1onc(C)c1NC(=O)C(=O)NNc1ccc(OC)cn1	782145077	AOKGGGVKFIIZPU-UHFFFAOYSA-N	319.321	1.031	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)O[C@H]1CCN(CC(F)(F)F)C1=O	786680964	PBDGSNMKAIPGSJ-BSKOKIOFSA-N	302.252	1.553	50	20	DDGD	
Cc1ccccc1C[C@@H](CO)NS(=O)(=O)CCCCl	882112201	PONNIIOHKKUVCF-ZDUSSCGKSA-N	305.827	1.447	50	20	DDGD	
COC(=O)C1(CNC(=O)NNC(=O)C2CCC2)CCCCC1	784562426	GCDMQNFGVMSMDB-UHFFFAOYSA-N	311.382	1.240	50	20	DDGD	
COCCN(CCN(C)C)C(=O)[C@@H](Br)C(C)(C)C	781083427	DZVWEKTUAKHTFM-LLVKDONJSA-N	323.275	1.833	50	20	DDGD	
COCCc1ccccc1NC(=O)NNc1ncc(F)cn1	786195972	FWSVROQJZDEDQL-UHFFFAOYSA-N	305.313	1.953	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccc(OCC(F)F)n1	780711407	LFLYOCDSBBVOGU-UHFFFAOYSA-N	302.281	1.032	50	20	DDGD	
CCN1CCC(CNC(=O)NNc2ccc(OC)cn2)CC1	781001946	VPWSPODVOGNNOK-UHFFFAOYSA-N	307.398	1.448	50	20	DDGD	
C=C[C@@H]1CCCCN1CC(=O)NNC(=O)c1cccc(C)c1	785997715	RAPQGLDRGLUHAK-OAHLLOKOSA-N	301.390	1.797	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1conc1C	895444062	JPOCKWSQNAXDRD-UHFFFAOYSA-N	303.318	1.385	50	20	DDGD	
N#Cc1cnc(C(=O)NNc2ncncc2Cl)c(Cl)c1	781824934	VKBBZQMXDQWZJD-UHFFFAOYSA-N	309.116	1.807	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@H](OC)C(F)(F)F)n1	780015322	QWXALADVMIVMOL-ZETCQYMHSA-N	308.260	1.294	50	20	DDGD	
C[C@@H]1CN(C(=O)C(=O)NNc2ccccc2)c2ccccc2O1	784769606	GKYMBJGBMNJSOI-GFCCVEGCSA-N	311.341	1.944	50	20	DDGD	
CCC1(O)CCC(NC(=O)NNc2ncncc2Cl)CC1	781015146	RRXMFXYOBBTJMN-UHFFFAOYSA-N	313.789	1.840	50	20	DDGD	
COC(=O)[C@@](C)(CNC(=O)NNC(=O)C(C)C)c1ccccc1	787303224	AIDSHEHFPJRHSL-INIZCTEOSA-N	321.377	1.104	50	20	DDGD	
Cc1nn(CC(F)F)cc1C(=O)NNc1nccnc1Cl	894972355	AJACCLLPAWAKDE-UHFFFAOYSA-N	316.699	1.657	50	20	DDGD	
CCC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1cn[nH]c1	789020024	CHAOMDMYBDORGL-UHFFFAOYSA-N	303.278	1.568	50	20	DDGD	
O=C(Cc1cccc(Br)c1)N1CC[C@@H](B(O)O)C1	585070003	UZDSYILERQLARZ-SNVBAGLBSA-N	311.972	1.067	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)C(=O)c1ccc(Cl)cc1	798314602	SFEVFZJHJDADIG-UHFFFAOYSA-N	323.658	1.415	50	20	DDGD	
CCOC1(C(=O)NNC(=O)c2cccc(C#N)c2)CCCC1	790443710	VRDSLQATEZPBSZ-UHFFFAOYSA-N	301.346	1.669	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCn2nc(C)cc2C)n1	794075616	OEQSXEVNNCPZKT-UHFFFAOYSA-N	301.350	1.055	50	20	DDGD	
CC(=NNC(=O)C1CCC1)c1cc(S(N)(=O)=O)c(C)cc1C	794510910	ZCOWENDWGYLWPO-UHFFFAOYSA-N	323.418	1.591	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)Cc1ccccc1OC	795017704	OYSCJSREYCWTTA-IAQYHMDHSA-N	308.378	1.446	50	20	DDGD	
C[C@@H]1CSCCN(CC(=O)NNC(=O)c2cccs2)C1	753836637	ASPDDOABMBRAQE-JTQLQIEISA-N	313.448	1.194	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccccc1N1CCCC1=O	1317991466	IMFUEXQKJLRABE-UHFFFAOYSA-N	318.377	1.558	50	20	DDGD	
CCn1nc(C(C)C)cc1C(=O)NNc1nc(C)cc(OC)n1	1318871070	FFXRKUXPVGQNHC-UHFFFAOYSA-N	318.381	1.890	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNC(=S)NC(C)C	1319082826	IWPIDDWOLWJSOJ-SECBINFHSA-N	311.455	1.119	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H](c1cccc(Cl)c1)N(C)C	1322033377	RILGOFUBIYQRTP-LBPRGKRZSA-N	312.801	1.682	50	20	DDGD	
Cc1ccc([C@H](C)CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	1325976694	OKXTVTPXKWURMM-IPYPFGDCSA-N	319.405	1.854	50	20	DDGD	
O=C(NCCC1=CCCCCC1)NNC(=O)C1CCNCC1	1325367240	WKYPSQIRONVOJP-UHFFFAOYSA-N	308.426	1.597	50	20	DDGD	
Cc1ccc([C@H](C)CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	1325976697	OKXTVTPXKWURMM-VNHYZAJKSA-N	319.405	1.854	50	20	DDGD	
C[C@H]1CSC[C@H]1NC(=O)NNc1nncc(N)c1Cl	1326581131	MAWJPCBJTADUSX-CAHLUQPWSA-N	302.791	1.090	50	20	DDGD	
C[C@@H]1CC[C@H](CCC(=O)NNC(=O)c2n[nH]c3c2CCCC3)O1	1323282703	HFXVCYRDICFVLH-GHMZBOCLSA-N	320.393	1.397	50	20	DDGD	
CC(=NNC(=O)C[N+](C)(C)C)[C@@H](C)Cc1ccccc1[N+](=O)[O-]	1325011053	JDUSPXQHIGFQEH-LBPRGKRZSA-O	321.401	1.972	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](C(=O)NNc2cnc3ccccc3n2)C1	1336432936	KREWIZXDZOBNDI-AOOOYVTPSA-N	300.318	1.272	50	20	DDGD	
CC(C)CCN(C)C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1331095362	BGHFXDMAHZSIPP-GWCFXTLKSA-N	319.243	1.781	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNc1cccc(F)n1)c1cnn(C)c1	1263181420	MAZSZVPUDFLBCV-CYBMUJFWSA-N	306.345	1.978	50	20	DDGD	
Cc1ccccc1NNC(=O)C(=O)Nc1cnn(C2CCC2)c1	1262703223	ZTGGARXAOYBADO-UHFFFAOYSA-N	313.361	1.998	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1	1351511887	WZRPHQPPJIKBBM-AAEUAGOBSA-N	312.373	1.901	50	20	DDGD	
O=C(O)c1cccc2c1CCN(S(=O)(=O)CCCCl)C2	1602456733	NEYUGCMYYPHOPK-UHFFFAOYSA-N	317.794	1.702	50	20	DDGD	
N#Cc1cc(NC(=O)NNc2ccc(F)c(C(=O)O)c2)ccn1	1601090813	VSCBMCQUDZFOCK-UHFFFAOYSA-N	315.264	1.939	50	20	DDGD	
CC1(C)C[C@@]1(C(=O)O)C(=O)NNC(=O)CCOc1ccccc1	1603320479	ILTGNYPYFRVOKE-INIZCTEOSA-N	320.345	1.104	50	20	DDGD	
Cn1c(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1C(=O)O	1608086836	FBVTVLREFJRZKY-UHFFFAOYSA-N	316.273	1.395	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H](C(=O)O)C(C)C)ccc1F	1604376260	QIUMZAABTWXRHF-LLVKDONJSA-N	312.297	1.412	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cnn3c2CCCC3)c1	1602450520	YXZIEZBRYUNAMP-UHFFFAOYSA-N	300.318	1.675	50	20	DDGD	
CN(N)C(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1	1573877880	YQCINACCMZBCRV-LBPRGKRZSA-N	311.357	1.766	50	20	DDGD	
Cc1ccc(-c2nc(C)c(C(=O)NNC(=O)[C@@H]3CCN3)s2)o1	1579648600	MBKNHMRWSSFDFP-VIFPVBQESA-N	320.374	1.143	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@H](N)c1cc(C)nc(Cl)c1	1574544906	KKGSNLWZFYDOCD-LBPRGKRZSA-N	322.796	1.384	50	20	DDGD	
C[C@H](SCC(=O)NNC(=O)c1cccc(Cl)c1)C(=O)O	1589169954	UDYPSXUWYNHESG-ZETCQYMHSA-N	316.766	1.307	50	20	DDGD	
CC(=O)OCC(C)(C)CC(=O)NNc1ccc(C(=O)O)cn1	1589229432	SXTBGQCOJPGILO-UHFFFAOYSA-N	309.322	1.202	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)S)C1	1846369882	IPHYOSBXWQMZGL-ZJUUUORDSA-N	304.843	1.526	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H]2C[C@H]2F)C1	1845093476	HHKAAXIUVQDUEF-QJPTWQEYSA-N	316.804	1.955	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1CNC(=O)NNc1cccc(C(=O)O)c1F	1588917877	GNSJPGXAQCHOKU-CABZTGNLSA-N	323.324	1.741	50	20	DDGD	
CC1(C)OC[C@H]2C[C@]21C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1590119906	VMCFBNWYDRPKKR-MEBBXXQBSA-N	314.349	1.125	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@@]2(C(=O)O)CC2(C)C)c1	1593714457	DBOLJPWWHFMTLL-MRXNPFEDSA-N	319.361	1.015	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC2(C(=O)O)CCCCC2)cn1	1594537814	LOOPLPAWACWVLI-KPKJPENVSA-N	302.334	1.231	50	20	DDGD	
COCCN(CCC(=O)O)C(=O)/C(C#N)=C/c1ccc(O)cc1	1594000962	IFTRNQDXMGWMDU-JLHYYAGUSA-N	318.329	1.249	50	20	DDGD	
Cc1[nH]c(C(=O)O)c(C)c1C(=O)NNc1ncncc1Cl	1599957479	RXHRAPVGFMULQP-UHFFFAOYSA-N	309.713	1.530	50	20	DDGD	
COC[C@H](NC(=O)NNc1ccc(C(=O)O)c(F)c1)C(C)C	1599174645	RYFJMSJELMFJID-LBPRGKRZSA-N	313.329	1.821	50	20	DDGD	
CC[C@H](C)n1nccc1C(=O)NNc1ccc(C(=O)O)cn1	1595029525	YZYGWBFKHFKTSB-VIFPVBQESA-N	303.322	1.704	50	20	DDGD	
C[C@H]1CNCC[C@H]1NC(=O)NNc1ccc(F)c(C(=O)O)c1	1594584930	POPUPWJKOZIXHV-QPUJVOFHSA-N	310.329	1.148	50	20	DDGD	
COc1ccc(C=NNC(=O)NCC(=O)O)cc1OC(F)F	1599544196	LUFYCRCEIVGUBP-UHFFFAOYSA-N	317.248	1.014	50	20	DDGD	
O=C(O)CCc1ccc(C=NNC(=O)N=c2cc[nH]cc2)o1	1776077929	NPJGDALKFVFPAJ-UHFFFAOYSA-N	302.290	1.269	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccco2)cc1	14864409	LXBYFHWROOJTJZ-LLVKDONJSA-N	318.329	1.907	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H](CO)CC(C)C)cc(C#N)n1C	161135398	CPXNNELEBONARO-SXSSENBOSA-N	314.389	1.635	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)c2ccnc3c(C(N)=O)cnn23)c1	163782950	QMNHQXOIAUTFBZ-UHFFFAOYSA-N	324.344	1.202	50	20	DDGD	
Cc1nn(-c2ccccc2)c(C)c1NC(=O)NNC(=O)CCO	155599079	RIIWEVVKNYXWKO-UHFFFAOYSA-N	317.349	1.024	50	20	DDGD	
COc1ccc(NNC(=O)NCC(C)(C)N2CCCCC2)nc1	156563989	SAJQAYFDCZSTFA-UHFFFAOYSA-N	321.425	1.981	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)C(=O)Nc1c(F)cccc1F	159493344	INNLVHNLFVXUQB-UHFFFAOYSA-N	319.267	1.365	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@H]2CC[C@H](C)CC2)n1	108585582	ZUEFSHHWVNMVBC-GSJFWJNXSA-N	307.398	1.409	50	20	DDGD	
C[C@H](C(=O)NCCCSC#N)N1C(=O)c2ccccc2C1=O	854363851	PNLAORZLBKOXEN-SNVBAGLBSA-N	317.370	1.392	50	20	DDGD	
CCN(CC)CCNC(=O)c1ccc(NC(=O)CCl)cc1	1846980	YLRVRNVXMJXROY-UHFFFAOYSA-N	311.813	1.936	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cnn(-c2ccccc2)c1	103424459	DGGRTLVQRGTOHQ-UHFFFAOYSA-N	321.340	1.271	50	20	DDGD	
CC(C)c1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCCO2)cc1	55590286	KDSAILFXKKCGPT-ZDUSSCGKSA-N	312.391	1.299	50	20	DDGD	
CC(=O)[C@H](C)SCC(=O)NNC(=O)c1ccc(Cl)cc1	175190779	OHQREZSMNMVRQP-VIFPVBQESA-N	314.794	1.812	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NNc1ccc(Cl)nn1	118497808	RGCJFQBPWOPQKF-UHFFFAOYSA-N	323.696	1.560	50	20	DDGD	
Cc1ccc(F)cc1S(=O)(=O)NNC(=O)c1ccccc1O	55556923	QXRBZCSYVFRUIS-UHFFFAOYSA-N	324.333	1.463	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1ccc[nH]1)Cc1cccs1	175759422	KNVRRZZSUPVZMK-SNVBAGLBSA-N	306.391	1.899	50	20	DDGD	
O=C(CSC[C@H]1CCCCO1)NNC(=O)c1ccccc1	171172985	CSWSYYQZFZRNCQ-CYBMUJFWSA-N	308.403	1.750	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1ccc2nccn2c1	69212342	KFQYJOMGJQEUST-UHFFFAOYSA-N	309.329	1.207	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1csc(C2CC2)n1)C1CC1	175535937	MYUASJWPPPIWFW-ZETCQYMHSA-N	310.448	1.928	50	20	DDGD	
O=C(NNc1cnccn1)c1nn(-c2ccc(F)cc2)cc1O	176296462	MCWBLZRKOPLBJA-UHFFFAOYSA-N	314.280	1.264	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCCc2ccc(Cl)cc2)cn1	117678568	YJIGKMNUVWSQMU-UHFFFAOYSA-N	320.780	1.857	50	20	DDGD	
CC(=O)NNC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1	174983790	FDYOOOSCIXGBEX-MRXNPFEDSA-N	303.362	1.096	50	20	DDGD	
CN(CC(C)(CO)CO)/C(=C/C#N)c1ccc([N+](=O)[O-])cc1	305724263	XEPVVCQDOKUQOV-VGOFMYFVSA-N	305.334	1.382	50	20	DDGD	
CCCCNC(=O)NNC(=O)COCc1cccc(OC)c1	64883097	KBJQPRKRBCEMNH-UHFFFAOYSA-N	309.366	1.342	50	20	DDGD	
CCCNC(=O)CCNC(=O)/C(C#N)=C/c1ccc(O)cc1	41718013	OKLPKQORXIUKMY-JLHYYAGUSA-N	301.346	1.332	50	20	DDGD	
CON(Cc1ccc(C)o1)C(=O)/C(C#N)=C/c1cnn(C)c1	1350630485	KMMSDLCMQTVSKD-AWNIVKPZSA-N	300.318	1.819	50	20	DDGD	
CNc1nc(C(=O)NNC(=O)CCCc2ccccc2)cs1	120141634	ARPDHMKHOZTRKP-UHFFFAOYSA-N	318.402	1.969	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Nc1ccncc1F	184198558	XBMKRPVXGNOFJI-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](C)Cc2c(C)noc2C)nn1	128341464	NJSPOOCOEGFIMI-VIFPVBQESA-N	304.354	1.647	50	20	DDGD	
CCc1ccccc1NC(=O)C(=O)NNC(=O)c1ccccc1	181984947	MLWDCNNKBYSMBJ-UHFFFAOYSA-N	311.341	1.649	50	20	DDGD	
CCCC[C@H](COC)NC(=O)NNC(=O)c1ccc(C#N)cc1	77350649	ZCPLUIOUGNCIMJ-CQSZACIVSA-N	318.377	1.707	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1cc2cc(F)ccc2s1	186096131	XVYLXYBSXLNIMA-UHFFFAOYSA-N	318.333	1.767	50	20	DDGD	
COc1cccc(NNC(=O)c2cn(C)nc2C(C)(C)C)n1	180741643	VOWVUYRLCLEKCH-UHFFFAOYSA-N	303.366	1.878	50	20	DDGD	
CO[C@H](C)C(=O)NNC(=O)Cc1nc(-c2ccccc2)cs1	77956968	FSNLPPAIWQGLPW-SNVBAGLBSA-N	319.386	1.535	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)cc1Cl	180967391	QCKCWERRGVIVLL-UHFFFAOYSA-N	311.769	1.780	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(Cl)ncc2Cl)n1	127614705	RWXJFXNVNKICAG-UHFFFAOYSA-N	314.132	1.944	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NNc1nnc(C2CC2)s1	184530325	PEOYVLBUDOFLIO-QMMMGPOBSA-N	312.399	1.086	50	20	DDGD	
O=C(CCOCC(F)F)NNC(=O)c1ccc(Cl)nc1	188857059	AXCYIAXXKYMTFY-UHFFFAOYSA-N	307.684	1.168	50	20	DDGD	
COc1ccc(NNC(=O)CCCCN2CCOCC2)nc1	187470406	VDYDSIHKXVGHTI-UHFFFAOYSA-N	308.382	1.036	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H](C)NC(=O)C(C)(C)C)cc1	73484841	DNMZVDIVKVFFDH-NSHDSACASA-N	319.405	1.561	50	20	DDGD	
CC[C@H]1C[C@@H](C(=O)NNC(=O)c2ccc(C)cc2O)CCO1	183580650	GTMSZYNJQLFKJQ-RYUDHWBXSA-N	306.362	1.667	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NCCC2CC2)cc1	75462082	WOFCXLRKJNTEKW-UHFFFAOYSA-N	305.378	1.758	50	20	DDGD	
Cc1ccc(CC(=O)NNc2cc(Cl)nc(N)n2)cc1O	133909110	WORUWZOLGCYMRC-UHFFFAOYSA-N	307.741	1.412	50	20	DDGD	
Cc1ccc(-c2ccc(C(=O)NNC(=O)CO)c(F)c2)cc1	180946261	JNZCUDDOWOLCIK-UHFFFAOYSA-N	302.305	1.554	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNC(=O)Nc2ccccc2C)C1	133364246	QCHOWBHXYMFZCB-LBPRGKRZSA-N	318.377	1.406	50	20	DDGD	
COCCNC(=O)NNC(=O)Cc1cccc2ccccc12	42842489	SCQYWOJUFYKRQM-UHFFFAOYSA-N	301.346	1.359	50	20	DDGD	
O=[N+]([O-])c1ccc(CCNS(=O)(=O)CCCCl)cc1	40676325	SAXVUUZQSMWFOR-UHFFFAOYSA-N	306.771	1.686	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Cc2cccc(F)c2F)n1	86994878	HOZKXXCMCSMQRU-UHFFFAOYSA-N	322.315	1.168	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@H]2CCCC[C@H]2C)n1	43047328	JWJFGWCNAVMPAJ-MFKMUULPSA-N	307.398	1.409	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cnn(C)c2-n2cccc2)n1	193065731	PHUDQGQTQRKBJM-UHFFFAOYSA-N	311.349	1.375	50	20	DDGD	
COc1cc(C(=O)NNc2ncnc3[nH]cnc23)ccc1Cl	89494971	OTCFWSLHRJRJAB-UHFFFAOYSA-N	318.724	1.772	50	20	DDGD	
CCN(CC)C(=O)CCCNC(=O)NNc1nc(C)cc(C)n1	46967251	ZMCKZKLYTSCNQS-UHFFFAOYSA-N	322.413	1.368	50	20	DDGD	
Cc1cccnc1C(F)(F)C(=O)NNC(=O)Cc1cccnc1	192452523	WIAMCLJTUBPWJW-UHFFFAOYSA-N	320.299	1.267	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1)c1c(Cl)cccc1Cl	237838844	CNTHCGJWXZUHBG-SECBINFHSA-N	302.161	1.506	50	20	DDGD	
O=C(CSCC(F)(F)F)NNC(=O)NCC(F)(F)F	90369214	PTRQUOOZADMKRG-UHFFFAOYSA-N	313.223	1.175	50	20	DDGD	
COc1ccccc1/C(C)=C\C(=O)NNc1ncnc2nc[nH]c12	255889669	ICOKCSYEPCQKDR-YFHOEESVSA-N	324.344	1.908	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1sc(C)cc1OC	265051851	MONSTTZHEITKCZ-UHFFFAOYSA-N	301.368	1.046	50	20	DDGD	
COCCN1CC[C@H](NC(=O)NNc2ccccc2Cl)C1	265799737	YKVMPRQJEHRDDD-NSHDSACASA-N	312.801	1.687	50	20	DDGD	
N#CC1(C(=O)NNC(=O)c2cccc(Br)c2)CCC1	266312010	GXTMEPSRFJMWFS-UHFFFAOYSA-N	322.162	1.904	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNC(=O)C2CCC2)cc1Cl	264807989	VFOBVUHGTYKYKD-UHFFFAOYSA-N	320.736	1.098	50	20	DDGD	
Cc1cccc2c1N(C(=O)C(=O)NNC(=O)CC(C)C)CC2	274170785	NMXPHCQMIBPXPN-UHFFFAOYSA-N	303.362	1.078	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNc2nc(-c3ccccc3)no2)CCO1	271842256	IALKHJLWSNGBKI-CMPLNLGQSA-N	302.334	1.995	50	20	DDGD	
CNC(=O)NNC(=O)c1cnn(-c2ccccc2C)c1C(C)C	276775493	HIGPEBUOAUVLKV-UHFFFAOYSA-N	315.377	1.878	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccnnc2C)c(C)c1	270085611	RWFCWPLORMJAAH-UHFFFAOYSA-N	313.361	1.275	50	20	DDGD	
Cc1cc(NS(=O)(=O)CCCCCl)nn1CCC#N	276295847	ZMWBTBCQEOPLQW-UHFFFAOYSA-N	304.803	1.866	50	20	DDGD	
COC1(CC(=O)NNC(=O)c2c[nH]c3ccccc23)CCC1	276752113	YIZXEIHDWDIPQZ-UHFFFAOYSA-N	301.346	1.888	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCCS(=O)(=O)CC1	374941346	BIHKDEPXEYYAPN-JLHYYAGUSA-N	322.361	1.380	50	20	DDGD	
O=C(NNc1cnccn1)[C@H]1CCN(c2ccccc2Cl)C1	377892490	HKLCUWOAMBCFFH-NSHDSACASA-N	317.780	2.100	50	20	DDGD	
CCCCc1ccc(NC(=O)C(=O)NN(C)C(=O)NCC)cc1	276113630	GZAZPCJYIGQUHT-UHFFFAOYSA-N	320.393	1.660	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@@H]1CCn2ccnc2C1	376445223	ALKZVVWHCKBVKM-GFCCVEGCSA-N	312.377	1.646	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@@]2(CCNC2)C1	289303848	SKDGCSQSYKTQJU-INIZCTEOSA-N	324.856	1.954	50	20	DDGD	
CCCN(NC(=O)c1ccc(=O)n(C)n1)C(=O)OC(C)(C)C	286510599	NPEQKWJKZKYPCV-UHFFFAOYSA-N	310.354	1.072	50	20	DDGD	
CCC(=O)N[C@H](CCSC)C(=O)NNc1ncccc1F	286142678	YDKDMETZPWNJHI-SNVBAGLBSA-N	314.386	1.312	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)c2cccc3ncccc23)O1	282556816	DJEVLBKVDDXFIN-UEKVPHQBSA-N	313.357	1.809	50	20	DDGD	
C[C@@H]1COCC[C@H]1CNC(=O)NNc1cccc([N+](=O)[O-])c1	287843067	LJXMXHXNWUFUNU-MNOVXSKESA-N	308.338	1.894	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(-n2ccnc2)nn1)C(F)(F)F	288638464	OWIPMEUYIMGCOP-ZETCQYMHSA-N	315.259	1.239	50	20	DDGD	
CC[S@](=O)CC(=O)NNc1ccc(C(=O)OC)c(Cl)c1	295697312	PGCLHRPPFXFYHC-FQEVSTJZSA-N	318.782	1.338	50	20	DDGD	
CC(C)(C)c1n[nH]cc1C(=O)NNc1cc(Cl)nc(N)n1	293383594	FEEQSGCRWCQBAN-UHFFFAOYSA-N	309.761	1.490	50	20	DDGD	
Cc1cc2cc(CNC(=O)NNC(=O)[C@@H]3CCCO3)ccc2[nH]1	291859265	ISILFJOOWRYCOI-AWEZNQCLSA-N	316.361	1.486	50	20	DDGD	
Cn1nncc1NC(=O)NNc1ccc(OC(F)(F)F)cc1	809901755	UNYUVFXNSKQFCE-UHFFFAOYSA-N	316.243	1.862	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@](N)(c1cccc(F)c1)C(F)(F)F	806340142	NEQMEVHNSVZTLQ-LBPRGKRZSA-N	321.274	1.345	50	20	DDGD	
CCC1(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)COC1	802120063	WLVHQQXZLHYHOJ-UHFFFAOYSA-N	306.366	1.332	50	20	DDGD	
O=C(CCCc1ccc2c(c1)CC(=O)N2)NNC(=O)CC1CC1	294250355	STFMJOXPDAQFGI-UHFFFAOYSA-N	315.373	1.451	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CCn3c(cnc3C)C2)nc(C)n1	290587237	VDFSGVLWPCDXRX-LBPRGKRZSA-N	300.366	1.304	50	20	DDGD	
COc1cccc2c(C(=O)NNc3ccnc(F)c3)n[nH]c12	809755001	JBMKZUYNWRYRLZ-UHFFFAOYSA-N	301.281	1.863	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NNc2ncncc2F)n1	294102936	RUAITIFVNQAMNW-UHFFFAOYSA-N	308.342	1.258	50	20	DDGD	
O=C(CC1CCCCC1)NCC(=O)NNc1ncncc1F	294243220	ZWGQLXBSPBALHB-UHFFFAOYSA-N	309.345	1.145	50	20	DDGD	
O=C(NNc1ncccc1F)C(=O)Nc1ccc(Cl)cn1	807301665	NJDHQHFHAYDEOL-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCc1ncnn1CCF	801278755	PKJARBCGAHKJAJ-GHXNOFRVSA-N	316.292	1.604	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccc(NCC2CC2)nc1	800688712	GYUBJPJGMBZXEO-UHFFFAOYSA-N	302.378	1.855	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)N[C@H]1CC1(C)C	299059532	KSQNHLDXMXZASG-CABZTGNLSA-N	309.341	1.722	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)COc1ccccc1CC	294768674	MNBOBGHRLYGGPE-AWEZNQCLSA-N	308.378	1.590	50	20	DDGD	
CCC(CC)n1ncc(C(=O)NNC(=O)[C@@H]2CCCCO2)c1C	295618374	RJRVFHUZGXMSCQ-AWEZNQCLSA-N	322.409	1.883	50	20	DDGD	
CO[C@H](CS(=O)(=O)N1CC=C(C#N)CC1)c1ccccc1	295203229	SUZBOOGYFATJAY-OAHLLOKOSA-N	306.387	1.860	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)N[C@@H]2CC2(C)C)cc1OC	299069962	UXZLLKNAJFKSEL-CYBMUJFWSA-N	321.377	1.836	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCCOc1ccc2c(c1)OCO2	298831780	XMDXGICQGQXXLB-PKNBQFBNSA-N	304.302	1.354	50	20	DDGD	
CCC[C@@H](CNC(=O)NNC(=O)COc1ccc(C)cc1)OC	297689546	QKALMQPOAURTDO-AWEZNQCLSA-N	323.393	1.519	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1csc([N+](=O)[O-])c1	814951257	UQPOHGRKFSXZPH-UHFFFAOYSA-N	321.314	1.891	50	20	DDGD	
CCOCC(=O)NN=C(C)c1cccc(O[C@H](C)C(=O)O)c1	814843240	PSMLHEGNYIYGTK-LLVKDONJSA-N	308.334	1.415	50	20	DDGD	
C=C(C)C(C)(C)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1	819094053	FWIYAVWNMFMUCO-UHFFFAOYSA-N	324.402	1.453	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)[C@H]1CC(c2cccnc2)=NO1	817010620	JGTIYXALZMKFTF-LLVKDONJSA-N	317.736	1.766	50	20	DDGD	
CCn1nc(C)c(CNC(=O)NNc2ncncc2F)c1C	814297205	RLGLBGREVHOVFD-UHFFFAOYSA-N	307.333	1.275	50	20	DDGD	
Cc1ccc2snc(C(=O)NNC(=O)NCC3CC3)c2c1	815115152	QPTMNLUIEBGECW-UHFFFAOYSA-N	304.375	1.959	50	20	DDGD	
COc1cnc(C(=O)NNc2ccc(C(F)(F)F)cn2)nc1	816173262	YRYDVCSQOAWWFR-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
COc1ccc(NC(=O)NN=Cc2cnc(N(C)C)n2C)cc1	814999866	QBGYKZIAHPOEFR-UHFFFAOYSA-N	316.365	1.650	50	20	DDGD	
Cc1nccc(CCC(=O)NNc2cc(C#N)cc(Cl)n2)n1	815906032	KHLKYWTVTLHQFS-UHFFFAOYSA-N	316.752	1.781	50	20	DDGD	
Cc1nc(C(C)C)oc1C(=O)NNC(=O)N=c1cc[nH]cc1	816595998	KAUXAUIZGGCGGF-UHFFFAOYSA-N	303.322	1.390	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@](C)(O)C1CCC1)c1ccccc1	813448848	RQZKGQBWIBQBIF-RHSMWYFYSA-N	304.390	1.879	50	20	DDGD	
O=C(NNC(=O)[C@@]1(c2ccccc2)CCCO1)[C@H]1CCCCO1	820941693	ANVVUYPQYNVWEW-PBHICJAKSA-N	318.373	1.409	50	20	DDGD	
Cn1nc(C(=O)NNc2ccc([N+](=O)[O-])cc2)c2c1CCCC2	826999636	XAMCOFWXRWKOCW-UHFFFAOYSA-N	315.333	1.964	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(OCC(=O)NNc2ccccn2)C1	494728277	ZUSQIDREDRYEDH-UHFFFAOYSA-N	322.365	1.161	50	20	DDGD	
CO[C@@]1(C)C[C@H](NC(=O)NNC(=O)OC(C)(C)C)C1(C)C	491797425	MCGCQPHKEVDWQE-XPTSAGLGSA-N	301.387	1.929	50	20	DDGD	
CC(=O)NNC(=O)[C@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C	495936561	RTWSFJFUNHUHKI-MWLCHTKSSA-N	301.387	1.339	50	20	DDGD	
COC(=O)c1cc(NNC(=O)N[C@H]2CO[C@H](C)C2)ccc1F	828441131	YLNXKEREOAUFFM-PSASIEDQSA-N	311.313	1.416	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1nccnc1C(C)C	497052943	AXHPTQUQBYUJGF-UHFFFAOYSA-N	309.370	1.569	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)/C=C/c2ccc[nH]2)cc1	492895036	JQAOTFIXUFNBML-CMDGGOBGSA-N	312.329	1.122	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NN(C)CCOC	496377685	LIWYWXOZPGPIEE-GFCCVEGCSA-N	317.430	1.631	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(Cl)c(Cl)cc1OC	823865717	XNNISSCHNIUHTI-UHFFFAOYSA-N	307.177	1.961	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1c(F)cncc1F	825004279	LHSBVQNMLNFWTE-UHFFFAOYSA-N	305.153	1.792	50	20	DDGD	
O=C(/C=C\c1ccc[nH]1)NNC(=O)Cc1cn2ccccc2n1	491988845	HATGWBLCKVXOMI-SREVYHEPSA-N	309.329	1.066	50	20	DDGD	
C[C@@H](CNC(=O)/C(C#N)=C/c1ccc(F)cc1)c1nncn1C	491160935	MPTSWHWKMOPKMR-DELQEKLWSA-N	313.336	1.781	50	20	DDGD	
CN(CC(=O)NNc1nc(-c2ccncc2)no1)c1ccccc1	728072171	YCYKNAWDBBWCFV-UHFFFAOYSA-N	324.344	1.711	50	20	DDGD	
CC(=O)NNC(=O)C1CCC(NC(=O)CC2CCCC2)CC1	725877920	AVMMLJVEEIBOHU-UHFFFAOYSA-N	309.410	1.409	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@]1(CO)C[C@H]1c1ccc(F)cc1	491163796	YFWOKEIBTZQMLM-AHIVSBDTSA-N	318.348	1.852	50	20	DDGD	
CCOc1ccccc1CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	825747876	AZRVJUBDHYXPTE-YPMHNXCESA-N	321.377	1.341	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCc1ccccc1	494642717	YYYYXNZAVUQTLA-UHFFFAOYSA-N	321.377	1.291	50	20	DDGD	
CN(C)[C@H]1CCc2cc(NC(=O)c3ccc(B(O)O)cc3)ccc21	584999300	SECIAJDXFIEJEO-KRWDZBQOSA-N	324.189	1.168	50	20	DDGD	
CNc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H](B(O)O)C1	585064150	NAKCEUGVRXLRBN-SECBINFHSA-N	316.088	1.436	50	20	DDGD	
COc1ccc2c(c1)C[C@@H](C)CC2=NNC(=O)[C@H]1CNC(=O)C1	905484034	FHMKJFYOAKFRNC-ZYHUDNBSSA-N	315.373	1.234	50	20	DDGD	
Cc1ccc(C(=O)NNc2nc(-c3cccnc3)no2)c(O)c1	728078375	CIXXFCSOZCIHSE-UHFFFAOYSA-N	311.301	1.903	50	20	DDGD	
O=C(NC[C@@H]1[C@@H]2CCc3ccccc3[C@H]21)c1ccc(B(O)O)cc1	584964168	IGXFFMAFGHEXSS-RCCFBDPRSA-N	321.185	1.072	50	20	DDGD	
Cc1c(NC(=O)NNc2cnccn2)cccc1-c1nn[nH]n1	826241845	RDAIIURDQJKHCX-UHFFFAOYSA-N	311.309	1.114	50	20	DDGD	
CCC[C@H](NCc1ccccc1B(O)O)[C@@H](O)c1ccccc1	585039930	ZSDTUNFLXCVBHZ-ROUUACIJSA-N	313.206	1.358	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NNc2ccncn2)C1	497110287	WPCRDPSPWLVREX-AOOOYVTPSA-N	307.354	1.223	50	20	DDGD	
Cn1nc(C2CC2)cc1C(=O)NNC(=O)c1cccc(Cl)n1	825346775	HLQQSNDDGNBFPI-UHFFFAOYSA-N	319.752	1.421	50	20	DDGD	
CCOCC(=O)NN=C1CCN(Cc2ccccn2)C[C@H]1C	734365145	RXDOOEHOOITRSH-CYBMUJFWSA-N	304.394	1.432	50	20	DDGD	
CC(C[C@@H](C)NC(=O)OC(C)(C)C)=NNC(=O)c1cnn(C)c1	494470614	MXBIDYJKXOMUOP-SNVBAGLBSA-N	323.397	1.829	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)/C=C/c2ccc[nH]2)c(C)c1	492940115	HSXXSCRDEIHVPD-SOFGYWHQSA-N	312.373	1.904	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNC(=O)C(C)(C)c1ccccc1	731231433	PNYGPDXUFZRKSL-HNNXBMFYSA-N	313.401	1.209	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCC[C@@]2(O)C[C@H]3CC[C@H]2C3)cn1	490974744	OBRGQTSPXRTGAQ-BWJSECRCSA-N	314.389	1.384	50	20	DDGD	
Cn1ccc(C(=O)NNc2nccc3sccc23)cc1=O	734249666	GVPIEOKSHKWQEI-UHFFFAOYSA-N	300.343	1.752	50	20	DDGD	
COCC(=O)N(C)CC(=O)NNc1cccc(Cl)c1Cl	838344858	GYPDOLWCECIUBJ-UHFFFAOYSA-N	320.176	1.541	50	20	DDGD	
CCn1cc(C=NNC(=O)c2ccc(OC)cc2OC)nn1	901188151	BVOGTJYNFUELGP-UHFFFAOYSA-N	303.322	1.079	50	20	DDGD	
CC(C)(C)OC(=O)NCCCCC(=O)NNc1cnccn1	495287265	UVHKEVLWKLEIHF-UHFFFAOYSA-N	309.370	1.615	50	20	DDGD	
O=C(Cc1ccsc1)NN=Cc1cc(C(=O)O)ccc1O	739350508	XMLNJBANEGPWCR-UHFFFAOYSA-N	304.327	1.845	50	20	DDGD	
COC(=O)NCCC(=O)NNC(=S)Nc1cccc(C)c1	730841494	BJPWUBBODCXBCX-UHFFFAOYSA-N	310.379	1.059	50	20	DDGD	
CN(C)CCN(Cc1ccc(F)cc1)S(=O)(=O)CCl	830105761	NZPQNAVTYDFIKJ-UHFFFAOYSA-N	308.806	1.715	50	20	DDGD	
C[C@@]1(C(=O)Nc2cccc(B(O)O)c2)CCc2ccccc2C1	584911921	IWYSVSPFUCYPLZ-GOSISDBHSA-N	309.174	1.500	50	20	DDGD	
C[C@H]1CC(=NNC(=O)COc2ccccc2[N+](=O)[O-])[C@@H](C)O1	834927573	NHWWKCVKKAKBLZ-VHSXEESVSA-N	307.306	1.643	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H](CO)NC(=O)C(C)C)c(Cl)c1	836935915	VSPHXWJWUSMQJT-LBPRGKRZSA-N	313.785	1.225	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1nc2c(s1)CCC2	831117397	UUWIUMLOGHMJOZ-YUMQZZPRSA-N	310.379	1.210	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2cccc(Br)n2)CO1	837213041	YTJMIBYSXUTBGR-SFYZADRCSA-N	300.156	1.712	50	20	DDGD	
COc1nccc(C=NNC(=O)COc2cc(C)ccc2C)n1	834923129	YOQIOEGIRHTQFM-UHFFFAOYSA-N	314.345	1.631	50	20	DDGD	
O=C(Cc1cccc2cccnc12)NNC(=O)[C@@H]1CCCCO1	833778316	AXKSZWOZLAIWSB-AWEZNQCLSA-N	313.357	1.494	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)NC(=O)NNc1ccc(Cl)nc1	838692148	CPROYJUXAKAGEF-VIFPVBQESA-N	308.773	1.726	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc2n[nH]cc12	831593996	QCQHNVOOFIWQRL-GXSJLCMTSA-N	317.349	1.449	50	20	DDGD	
O=C1CSc2ccc(C(=O)NNc3cccnn3)cc2N1	736702323	NALMVKUUASQNDQ-UHFFFAOYSA-N	301.331	1.278	50	20	DDGD	
CC[C@@H](C)[C@H](C)N(C(=O)c1cc(B(O)O)ccc1F)C1CC1	584942004	PHKDRTUZJOAJSK-MNOVXSKESA-N	307.174	1.545	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CC2OCCCO2)cc1F	837059603	XLDODDLPGBESOH-UHFFFAOYSA-N	312.297	1.209	50	20	DDGD	
CCN(CC)C(=O)CCCC(=O)NNc1ccccc1C(=O)O	833653943	QYGOKUVEYWKRHB-UHFFFAOYSA-N	321.377	1.867	50	20	DDGD	
O=C(NC1CCC(c2ccccc2)CC1)c1ccc(B(O)O)cc1	584927140	DDNHWKIEGPVIFO-UHFFFAOYSA-N	323.201	1.823	50	20	DDGD	
CO[C@@H]1CCCCC1=NNC(=O)c1cccc(S(C)(=O)=O)c1	915959140	GKFIFCCBLHNFGJ-CQSZACIVSA-N	324.402	1.765	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)C(C)(C)NS(C)(=O)=O	836934405	WZHUWNAYBGCSNV-UHFFFAOYSA-N	319.814	1.419	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)c2cc3c(s2)CCC3)n[nH]1	738479308	FSPVPEAVZQNXMW-UHFFFAOYSA-N	319.390	1.413	50	20	DDGD	
CCCC[C@@H](CC)CNC(=S)NNC(=O)C[n+]1ccccc1	730591324	BMEMVXQOTZZHIF-CQSZACIVSA-O	323.486	1.686	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1nc(CCC(=O)O)cs1	833422363	ZCSUYJHPZYKQIZ-UHFFFAOYSA-N	314.367	1.359	50	20	DDGD	
Cc1c(Cl)cncc1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	831840702	RBPVPGULIMFVPX-IUCAKERBSA-N	312.757	1.621	50	20	DDGD	
CC[C@@](C)(CNC(=O)NNC(=O)Cc1ccccc1C)OC	836579093	MKPSZTUFCYDYHP-INIZCTEOSA-N	307.394	1.683	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)[C@H]1CCCCO1)C(=O)c1ccccc1	833251090	QETCWBXZULRPJG-GXTWGEPZSA-N	318.373	1.612	50	20	DDGD	
CC(C)(CC(=O)O)CC(=O)NNC(=O)[C@H]1Cc2ccccc2O1	833454933	YBTGONCOGKQOIZ-GFCCVEGCSA-N	320.345	1.029	50	20	DDGD	
O=C(NNC(=O)C1(c2ccccc2F)CCCC1)c1ncon1	832826156	SCIWWUZAMWCYBX-UHFFFAOYSA-N	318.308	1.482	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CCc2cnn(C)c2)ccc1F	837034340	MUSWPIQSXHBLGN-UHFFFAOYSA-N	320.324	1.422	50	20	DDGD	
N#Cc1c[nH]c(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)c1	748316077	ZUEJFGAMEOJCDA-UHFFFAOYSA-N	320.312	1.147	50	20	DDGD	
Cn1nc2c(c1C(=O)NNC(=O)c1cccc(Cl)n1)CCC2	912507563	OAKYHCUWBATQBX-UHFFFAOYSA-N	319.752	1.032	50	20	DDGD	
CCc1ccc(C#CC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	843973175	XFEKXSCBJZFLKQ-DOMZBBRYSA-N	300.358	1.173	50	20	DDGD	
CCCC[C@H](CN)NC(=O)NNC(=O)c1cccc(C#N)c1	841956693	AYRDMQCBXJPEOH-CYBMUJFWSA-N	303.366	1.020	50	20	DDGD	
CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)N(C)C	746006061	MAEDMCYFPKFIOC-SNVBAGLBSA-N	316.402	1.228	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1cccc2c1OCCCO2	842553220	FWLIOIDQPPNCRC-DGCLKSJQSA-N	304.346	1.723	50	20	DDGD	
Cc1ncc2n1C[C@@H](C(=O)NNc1cnc3ccccc3n1)CC2	845946347	OSGKPEBSXWWGIM-LBPRGKRZSA-N	322.372	1.840	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(Br)ccc1O	910174397	SWZIMDPWRJIWFR-SSDOTTSWSA-N	303.156	1.112	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H](C)c1ccc(Br)cc1	910154882	IFQVEBUNAXBTPX-UWVGGRQHSA-N	315.211	1.896	50	20	DDGD	
CN(C)CCn1nccc1C(=O)NNc1cccnc1Cl	910400600	PZPJHSQDTYPLSY-UHFFFAOYSA-N	308.773	1.250	50	20	DDGD	
COCCCNC(=O)NN=C1CCN(Cc2ccccc2)C1=O	743435772	MXWBBJBNGBWWDN-UHFFFAOYSA-N	318.377	1.111	50	20	DDGD	
CCO[C@@H]1CCCN(CC(=O)NNC(=O)c2cccc(C)c2)C1	744406109	AAPUXRMONIWBEZ-OAHLLOKOSA-N	319.405	1.257	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=Cc1cn2ccccc2n1	747638689	RRGIERDXYBGIHO-UHFFFAOYSA-N	318.340	1.675	50	20	DDGD	
CSCC1(CC(=O)NNC(=O)COc2ccccc2O)CC1	845460154	PPQZQVCQUPCUOB-UHFFFAOYSA-N	324.402	1.452	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NC[C@H]1CCCN1	841936157	FQGHFSZJFSDSRU-CQSZACIVSA-N	304.394	1.092	50	20	DDGD	
Cn1c(NNC(=O)CC[C@]2(C)CCC(=O)N2)nc2ccccc21	848379033	AUZLGUYJBWRFCS-INIZCTEOSA-N	315.377	1.465	50	20	DDGD	
NC(=O)c1cccc(CNC(=O)NNc2ccc(Cl)nc2)c1	745504213	QRJHSIZOTAWHKZ-UHFFFAOYSA-N	319.752	1.660	50	20	DDGD	
CSCc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	843647110	NACNCNDXOADMAB-ZWNOBZJWSA-N	308.403	1.736	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H]2CCCNCC2)cc1F	841979512	UEEMQTKUPVCUIF-SNVBAGLBSA-N	324.356	1.381	50	20	DDGD	
CC(C)C[C@H](C(=O)NNC(=O)C(=O)NC(C)C)c1ccccc1	740815256	MPDDBCDWJDCHFI-AWEZNQCLSA-N	319.405	1.488	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H](C(C)C)N(C)C)cc1	846372675	YLWLVOJYSDDGTK-OAHLLOKOSA-N	307.394	1.431	50	20	DDGD	
COc1ccccc1CC(=O)NN=C1COc2cc(O)ccc21	920374037	WBDYRPZPEJTDBM-UHFFFAOYSA-N	312.325	1.856	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1cn2ccccc2n1)C1CCCC1	749417056	OFDXIDVDMSCVSY-GFCCVEGCSA-N	314.389	1.851	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cc(C)nn1C(C)(C)C	929834336	LLFHSJSAFDCRPA-UHFFFAOYSA-N	305.382	1.903	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)COc2cccc(C)c2)c[nH]1	753161561	RJUZWSWCGMKWPG-UHFFFAOYSA-N	315.329	1.639	50	20	DDGD	
Cc1cnc2c(c1)N(C(=O)/C(C#N)=C\c1cnn(C)c1)CCN2	858000235	DHGILZOCDQBCNA-MLPAPPSSSA-N	308.345	1.489	50	20	DDGD	
Cc1cccc2c1O[C@@H](C(=O)NNC(=O)OCC(F)(F)F)C2	856025889	DIWWTFLALIBNEG-SECBINFHSA-N	318.251	1.618	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cc(F)cc(F)c1	755586110	ZDUXIPZSOFWSHP-NSHDSACASA-N	311.332	1.383	50	20	DDGD	
O=C(NC[C@@H](O)C1CCCCC1)NNC(=O)c1cccc(F)n1	852711162	MADYSYXHIBEWBA-GFCCVEGCSA-N	324.356	1.106	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1nc(-c2ccco2)sc1C	854926558	CQMOMXCZHMHNEM-UHFFFAOYSA-N	310.404	1.792	50	20	DDGD	
O=C(COC(=O)[C@@H]1CC12CCC2)NNC(=O)c1ccccc1	759983900	SFWOEZQTFSEARH-LBPRGKRZSA-N	302.330	1.181	50	20	DDGD	
CCC[C@H](C(=O)NNc1c(C)cccc1CC)S(N)(=O)=O	854336113	LYYHVAUYSMCTSP-GFCCVEGCSA-N	313.423	1.458	50	20	DDGD	
CNc1nnc(CC(=O)NNc2ncnc3ccsc23)s1	759955518	MPVJWANFDMIVQE-UHFFFAOYSA-N	321.391	1.270	50	20	DDGD	
CN(CCO)c1ccc(C=NNC(=O)OCC(F)(F)F)cc1	853431562	FKGKAPIZOFNGIV-UHFFFAOYSA-N	319.283	1.738	50	20	DDGD	
Cc1cccnc1NNC(=O)NC1CCN([C@@H]2CCOC2)CC1	852636959	AAIUQXDUNLCYAY-CQSZACIVSA-N	319.409	1.269	50	20	DDGD	
C#C[C@H](CC)NC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	854068991	OKQCQCRJIWNDTJ-CMPLNLGQSA-N	307.325	1.335	50	20	DDGD	
COc1cccc(NCC(=O)NN=Cc2nc(C)c(C)[nH]2)c1	853279749	WOTABUBLDNNWKK-UHFFFAOYSA-N	301.350	1.597	50	20	DDGD	
CC(=O)N1CCC(NC(=O)NNc2cc(F)ccc2C)CC1	853246305	WDZZKFVJYZRDQT-UHFFFAOYSA-N	308.357	1.771	50	20	DDGD	
C[C@]1(C(=O)NNc2ccc(Br)nc2)CCOC1	758152430	YJSQUFYQBKCCPY-NSHDSACASA-N	300.156	1.714	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H]2CCCNCC2)C[C@H]1Br	857103645	LZIHFDHNXPXECB-CKYFFXLPSA-N	304.232	1.601	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](COC)c1cccc(OC)c1	855526765	VBGAHWYJZWHDJH-WVUXNXBLSA-N	304.346	1.943	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NC[C@]1(C)CCCO1	755231324	SLCYONIUTQXWMP-INIZCTEOSA-N	321.377	1.137	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1cc(F)c(F)cc1F	756433382	YKOXKPAOZLGXSL-UHFFFAOYSA-N	311.223	1.360	50	20	DDGD	
C[C@H](O)c1cn(CC(=O)NNc2cc(F)cc(Cl)c2)nn1	855618298	ADQZZGUCDDRQNF-ZETCQYMHSA-N	313.720	1.267	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C(C)(C)NC(C)=O)c1C	855627349	KJBHFJBXLHWDJP-UHFFFAOYSA-N	307.350	1.139	50	20	DDGD	
Cc1cc(Cl)ncc1NC(=O)NNC(=O)c1ccccn1	757720962	OEFHHCWSMBVKLO-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2n[nH]cc2C1)c1cccc(Cl)n1	857323615	SRTZPNRCLSMLTA-MRVPVSSYSA-N	319.752	1.024	50	20	DDGD	
NC(=O)[C@@H]1CSCCN1C[C@@H](CBr)C1CC1	859222005	XYYFNYCJCMHPDL-ZJUUUORDSA-N	307.257	1.310	50	20	DDGD	
CO/C(=C\c1ccccc1)C(=O)NNC(=S)NCC1CCC1	855090049	NZXGPRMUOFAWIZ-UVTDQMKNSA-N	319.430	1.969	50	20	DDGD	
CC(C)c1cnc(NC(=O)C(=O)NNC(=O)C2CCCC2)s1	756154822	IQCQHTXCQDDLEE-UHFFFAOYSA-N	324.406	1.543	50	20	DDGD	
Cc1cc(C)c2c(c1)OCCC2=NNC(=O)[C@H]1CCC(=O)N1	863146814	ZKUDRKZPESUWPC-GFCCVEGCSA-N	301.346	1.185	50	20	DDGD	
CC(=O)N[C@@](C)(C(=O)NNc1cnc2ccccc2n1)C(C)C	935403051	WPXXBPOQBPKLTF-MRXNPFEDSA-N	315.377	1.624	50	20	DDGD	
C#CCOc1ccc(NC(=O)NNc2nccnc2OC)cc1	764645496	HWBAWYIGDGPWJL-UHFFFAOYSA-N	313.317	1.646	50	20	DDGD	
CC[C@](C)(O)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	935681291	QSDIQRNMVNFCCA-OTYXRUKQSA-N	314.769	1.416	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cncc(Br)c1C	934270399	VLCVPFMIWSLSOU-UHFFFAOYSA-N	317.143	1.887	50	20	DDGD	
CN1CCCC[C@@H](CNC(=O)/C(C#N)=C\c2cnn(C)c2)C1	862795313	JMVBILYBIJFXON-XKBFBRDOSA-N	301.394	1.175	50	20	DDGD	
O=C(CCc1cnn[nH]1)NNC(=O)C12CC3CC(CC(C3)C1)C2	864471660	GZNYLESLECDZII-UHFFFAOYSA-N	317.393	1.101	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C1CC[C@@H]1c1ccccc1	769792767	KJJWXBBHDDUYCL-OAHLLOKOSA-N	322.368	1.861	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NNC(=S)Nc1cc(C)ccc1F	865273033	UNWZZXSAYJGBOK-SKDRFNHKSA-N	311.382	1.877	50	20	DDGD	
CS(=O)(=O)c1ccc(NC(=O)NN=Cc2cncs2)cc1	767785520	OWZOFXAMLNOMEK-UHFFFAOYSA-N	324.387	1.702	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(O)c(F)c2)c(O)c1	768709384	ABMPKISXSIUGCQ-UHFFFAOYSA-N	304.277	1.620	50	20	DDGD	
Cc1ccc(C(=O)N2CC=C(C#N)CC2)cc1NS(C)(=O)=O	767176717	JFYXITGDGWQJSV-UHFFFAOYSA-N	319.386	1.662	50	20	DDGD	
CO[C@](C)(C(=O)NN[C@H](C)C(F)(F)F)C(=O)OC(C)(C)C	862322090	HMHDFLDJALRQGT-RDDDGLTNSA-N	314.304	1.305	50	20	DDGD	
CC(=O)NCc1ccc(C(=O)NN[C@H](C)C(F)(F)F)cc1	862305928	ZBCVMHAHOCRHIY-MRVPVSSYSA-N	303.284	1.508	50	20	DDGD	
CC(CCc1ccsc1)=NNC(=O)[C@H]1CCS(=O)(=O)C1	764905458	PBAGJIGXUPQVOR-LBPRGKRZSA-N	314.432	1.608	50	20	DDGD	
COC(=O)Nc1cccc(C(=O)NNc2ncc(F)cn2)c1	760911992	QIQWPSSUBYRVBR-UHFFFAOYSA-N	305.269	1.551	50	20	DDGD	
CN(C)c1nc2cc(NCc3cccc(B(O)O)c3)ccc2o1	864029223	FKJRGFRXMKUWBK-UHFFFAOYSA-N	311.150	1.186	50	20	DDGD	
CCO[C@@H](C)c1ncc(C(=O)NNc2nnc(C)c(O)n2)s1	1116144776	CVQAWIUJJGFYHC-ZETCQYMHSA-N	324.366	1.197	50	20	DDGD	
O=C(NN=C1CCC12CCOCC2)c1n[nH]c2c1CCCC2	1116924385	JVJFTRJHLVXJJO-UHFFFAOYSA-N	302.378	1.965	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NN(C)CCOC)cc1Cl	878381448	XIGFXZIKWQIPGZ-UHFFFAOYSA-N	314.773	1.314	50	20	DDGD	
COC(=O)C1(C(=O)NNC(=S)Nc2ccc(C)cc2C)CC1	873759234	LXHLCEFDEZKKLC-UHFFFAOYSA-N	321.402	1.574	50	20	DDGD	
COC(=O)C(=O)NN=C1CCC[C@@H](NC(=O)OC(C)(C)C)C1	1118322950	XJQZGRJNWNUBIZ-SECBINFHSA-N	313.354	1.099	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(N2CCCC2=O)c(F)c1	878719883	CRAOAZGHWAILMU-UHFFFAOYSA-N	324.356	1.567	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@H]2CC[C@H](C)C2)cn1	776345484	SWLZVVCVJBQFCC-UWVGGRQHSA-N	308.407	1.844	50	20	DDGD	
CCNS(=O)(=O)c1ccc(C(=O)NNc2ccccn2)cc1	777473944	WBMPKNCOBZERSD-UHFFFAOYSA-N	320.374	1.137	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)NC[C@@H]1COCCN1	877040580	QMEWXARPUFITFU-VXGBXAGGSA-N	304.481	1.805	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])C1=O	772215270	GSQZWKJDGHXXQC-QMMMGPOBSA-N	312.713	1.170	50	20	DDGD	
N#Cc1cccc(NNC(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)c1	771441019	BJNMMTSXUJSULV-HOCLYGCPSA-N	316.361	1.522	50	20	DDGD	
CSc1cccc(NC(=O)NNC(=O)C2CCOCC2)c1	877908132	PFBVDSMZPRLXKG-UHFFFAOYSA-N	309.391	1.988	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)COC1(C)CCC1	772955617	XSUJUPZATOIXND-NSHDSACASA-N	324.352	1.700	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCCS1	772165595	NSNQRYHVIBOFAQ-NXEZZACHSA-N	302.396	1.007	50	20	DDGD	
Cc1cc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)c(C)o1	771869041	VIRACJFFANYYLM-NSHDSACASA-N	310.350	1.635	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1	775550352	ZRSRRVFQKNXPCE-WDEREUQCSA-N	322.365	1.500	50	20	DDGD	
C[C@@H]1CN(c2ccc(C(=O)NNc3nc[nH]n3)cc2)C[C@@H](C)O1	880018141	NDYYBXPPECTFAQ-GHMZBOCLSA-N	316.365	1.175	50	20	DDGD	
C[C@H](CBr)CN1CCN(CC[S@](C)=O)CC1	770667645	RFVIAJZEGQLOCJ-BZNIZROVSA-N	311.289	1.014	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1cscc1Cl	771884747	PWEMBDJEMZZBCF-UHFFFAOYSA-N	311.750	1.875	50	20	DDGD	
O=S(=O)(CCCCl)N1C[C@H](O)C[C@H]1c1ccccc1	882258427	QQUOEWKCSUDATC-OLZOCXBDSA-N	303.811	1.753	50	20	DDGD	
CCn1nc(C)c(CNC(=O)NNc2ncncc2Cl)c1C	780987511	PHMOTLBLEGEAKT-UHFFFAOYSA-N	323.788	1.790	50	20	DDGD	
COCCOc1ccccc1CNS(=O)(=O)CCCCl	881805942	UMLOKBVQJCQYQP-UHFFFAOYSA-N	321.826	1.760	50	20	DDGD	
C#CCCCC(=O)NNC(=O)COc1ccc2c(c1)CCCC2	887145984	ZHUDPMCAYCJPRI-UHFFFAOYSA-N	314.385	1.895	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)C(C)(OCC)OCC)cc1	897530131	FOHVGLLRDZUBHK-UHFFFAOYSA-N	304.346	1.218	50	20	DDGD	
COc1cc(NC(=O)NN=c2cc[nH]cc2)ccc1NC(C)=O	781028225	VJODKHHZYBEBRJ-UHFFFAOYSA-N	315.333	1.619	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H]2CC(c3cn(C)nc3C)=NO2)c1	892173466	UPNYYEVJFWXPLS-OAHLLOKOSA-N	313.361	1.673	50	20	DDGD	
CNC(=O)NNC(=O)c1nn(-c2c(F)cccc2F)cc1C	786820088	UFHHURZHGYIWNE-UHFFFAOYSA-N	309.276	1.033	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCc2ncnn2CC)cc1	793271061	RPCDINVLTYQISW-UHFFFAOYSA-N	316.365	1.005	50	20	DDGD	
COc1ccc(NNC(=O)c2cc([C@@H]3CCCN3C)[nH]n2)cc1	896157526	QKEXOFRUGLNDMA-HNNXBMFYSA-N	315.377	1.942	50	20	DDGD	
CC(=NNC(=O)c1nnc(-c2ccccc2)o1)c1cc(C)n(C)n1	799877208	QMFTVOJQRWVXGV-UHFFFAOYSA-N	324.344	1.933	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cnn2c1OCCC2	796822978	NEWRCTFGMZDOCB-UHFFFAOYSA-N	319.273	1.802	50	20	DDGD	
CSc1cccc(F)c1C(=O)NNC(=O)c1cccn1C	798361499	FTHCZTJVEUMXEE-UHFFFAOYSA-N	307.350	1.961	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1cccc(C(F)(F)F)c1)C1CCC1	796364572	VQFMGJRHNVOTHH-NSHDSACASA-N	316.279	1.686	50	20	DDGD	
COc1ccc(F)c2[nH]c(C(=O)NNC(=O)c3ccc[nH]3)cc12	792852578	MWABAVRVHMJVGN-UHFFFAOYSA-N	316.292	1.719	50	20	DDGD	
CC1(C)CN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C1(C)C	1319581928	POEPTJWAPKPNQE-UHFFFAOYSA-N	314.389	1.440	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CCOc2ccccc2)ccn1	1318192209	XDHGVJLGLJQIFW-UHFFFAOYSA-N	315.329	1.320	50	20	DDGD	
CN(CCCc1ccccc1)C(=O)NNC(=O)c1cn[nH]c1	1328730858	AXAMFPOCFHNGHY-UHFFFAOYSA-N	301.350	1.329	50	20	DDGD	
Cc1c(C(=O)NNC(=S)NC(C)C)cnn1C1CCCC1	1324614602	ACJKZVICOXQGCY-UHFFFAOYSA-N	309.439	1.824	50	20	DDGD	
O=C(CC1OCCO1)NNc1cncc(Br)c1	1321510725	FCIDANKLNJMVTR-UHFFFAOYSA-N	302.128	1.050	50	20	DDGD	
CCOc1cccc(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	1329236062	JXQPTXOCYMUVAS-FZMZJTMJSA-N	321.377	1.341	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cnoc1C1CC1	1324128033	JCBWXLGZKHRFOB-UHFFFAOYSA-N	315.329	1.564	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)N2CCc3ccc(C#N)cc32)cc1	1320568746	BHPOEEZHSLZWLA-UHFFFAOYSA-N	320.352	1.899	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)Cc2ccccc2)cn1	1261914215	XUEXSFNZVWHWHL-UHFFFAOYSA-N	316.386	1.651	50	20	DDGD	
CC(C)(O)CCC(=O)NNc1cncc(Br)c1	1344001713	CVNOOKOXADVMFT-UHFFFAOYSA-N	302.172	1.838	50	20	DDGD	
O=C(N[C@H](CO)Cc1cncs1)C1CCC(Cl)CC1	1347152599	ZVLRMMOPSQEVHQ-ILDUYXDCSA-N	302.827	1.960	50	20	DDGD	
O=C(NC[C@H]1COC2(CCOCC2)O1)C1CCC(Cl)CC1	1346735193	OCRPYUFUUUZGIJ-BPCQOVAHSA-N	317.813	1.822	50	20	DDGD	
C[C@@H](CC(=O)c1ccccc1F)C(=O)NNc1cccnn1	1342263352	PFPOULLDYVAMNW-JTQLQIEISA-N	302.309	1.968	50	20	DDGD	
O=C(NC[C@H]1C[C@H]2C=C[C@H]1C2)NNC(=O)c1ccccc1O	1262379470	BDPQCOZFTPRRFL-SDDRHHMPSA-N	301.346	1.548	50	20	DDGD	
COC(=O)[C@H]1CC(F)(F)CN1C[C@@H](C)CBr	1351284720	SEUXOIXGMNFKCX-JGVFFNPUSA-N	300.143	1.900	50	20	DDGD	
CCc1cc(NC(=O)NNC(=O)c2cc(C)cs2)n(C)n1	1351522044	NCVXHNLXXTXTRQ-UHFFFAOYSA-N	307.379	1.819	50	20	DDGD	
CN(C)N(C(=O)c1cccc(F)n1)c1nc(CC(=O)O)cs1	1606036939	IVWZLDAROYSGAA-UHFFFAOYSA-N	324.337	1.428	50	20	DDGD	
O=C(Cc1n[nH]c2ccccc12)NNc1ccccc1C(=O)O	1601375617	UBFPFUQWXAJGRX-UHFFFAOYSA-N	310.313	1.947	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)CCCC(=O)O)c1	1604074808	HCXCXZGPYJNKKW-UHFFFAOYSA-N	308.338	1.478	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(C(=O)O)s2)cc1F	1600340862	AHKNDRVLRHPGHH-UHFFFAOYSA-N	322.317	1.969	50	20	DDGD	
Cc1c(NNC(=O)[C@H]2CCc3nccn3C2)cccc1C(=O)O	1600052241	FQMGYRNTZIZZDN-NSHDSACASA-N	314.345	1.595	50	20	DDGD	
Cc1ccc([C@@H](NS(=O)(=O)CCCCl)C(=O)O)cc1C	1600384828	LSZDNBOZWYMLPH-GFCCVEGCSA-N	319.810	1.977	50	20	DDGD	
CC(C)CN(CCC(=O)O)C(=O)/C(C#N)=C\c1cnn(C)c1	1603809209	LIZMWAPOXHSPLG-MLPAPPSSSA-N	304.350	1.286	50	20	DDGD	
COc1ccc(NCC(=O)NN=C2CC[C@@H](C(=O)O)C2)cc1	1607276455	XPASPVODYAGCNB-SNVBAGLBSA-N	305.334	1.464	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)CCCCC(=O)O)c1	1600175413	NJRWEYGIPFFCBK-UHFFFAOYSA-N	322.361	1.475	50	20	DDGD	
O=C(CCc1ccccc1C(=O)O)NNC(=O)[C@H]1CCCS1	1608318565	YFKZAEGVHIXWLR-GFCCVEGCSA-N	322.386	1.360	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)cc(Cl)n1	1549318630	CSVQYZVMSFJVBV-QWHCGFSZSA-N	322.796	1.357	50	20	DDGD	
Nc1cnnc(NNC(=O)Cc2ccccc2C(=O)O)c1Cl	1610648304	QFEMVBBUIVJUGL-UHFFFAOYSA-N	321.724	1.096	50	20	DDGD	
CC(Cc1ccc(F)cc1)=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549319341	HLTMQXODKCJWED-JKSUJKDBSA-N	319.380	1.724	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NN=Cc1cc(C(=O)O)no1	1610678134	GMJUQYQJIUXXOK-UHFFFAOYSA-N	312.285	1.478	50	20	DDGD	
Cc1ccccc1NNC(=O)C(=O)Nc1cc(C(=O)O)cs1	1610532114	LXWFNORCJGSWSV-UHFFFAOYSA-N	319.342	1.837	50	20	DDGD	
CC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(C#N)CC1)C2	1800070941	ZVHIHBISBWYQKS-RNJOBUHISA-N	323.824	1.946	50	20	DDGD	
O=S1(=O)C[C@@H](I)[C@@H](OC2CCC2)C1	158380632	JTMOUPQLQHYNDY-SFYZADRCSA-N	316.160	1.156	50	20	DDGD	
C[C@@H]1NCC[C@H]1C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	1576759546	XQFAXKCMUCIIQC-JFGNBEQYSA-N	321.446	1.632	50	20	DDGD	
CNC[C@H](C)C(=O)NNc1ncccc1C(=O)OC(C)(C)C	1578623336	QVXPEDYRZDMAJT-JTQLQIEISA-N	308.382	1.336	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)[C@@H]2NCCc3occc32)nn1	1575276035	YGWJQUMIHWOZOT-CQSZACIVSA-N	315.377	1.697	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H](CN)c2ccccc2)c1	1579832622	PZRSHRRTIUYTRD-GFCCVEGCSA-N	303.387	1.560	50	20	DDGD	
O=C(c1cscn1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843363319	YCOJZVLBFHDNQY-VIFPVBQESA-N	317.773	1.495	50	20	DDGD	
O=C([C@@H]1CCCCO1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](F)Cl	1847313540	BHRZKMYLYDYQBU-BJDJZHNGSA-N	318.776	1.292	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H]1CC[C@H](C(=O)O)C1	1594420072	QRYZXUJZZTXROM-MNOVXSKESA-N	305.334	1.649	50	20	DDGD	
O=C(O)[C@]1(C(=O)NNc2ccc(OC(F)F)cc2)CCCO1	1594866680	AISPIFYYYKUXKQ-CYBMUJFWSA-N	316.260	1.365	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1cc(C(=O)O)oc1C	1596917094	PQJROOLDAGARKI-KPKJPENVSA-N	306.318	1.736	50	20	DDGD	
CO[C@H]1C[C@@H](CNC(=O)NNc2ccc(CC(=O)O)cc2)C1	1599325911	JSNLXKCTWXKSFN-BJHJDKERSA-N	307.350	1.365	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2ccccc2C(=O)O)c1C	1597932239	BTQGLKOLTAKQGO-UHFFFAOYSA-N	302.334	1.975	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(C(=O)O)cc1F)[C@H]1CCCNC1	1593101568	HIXOXRUPZDRDSU-ONGXEEELSA-N	324.356	1.538	50	20	DDGD	
CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cl)CC	1799265974	QLDKPWFZTKSHMG-GFQSEFKGSA-N	316.829	1.394	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1ccc(Cl)c(Cl)c1	16129858	BXBJBZRTTRAUGO-UHFFFAOYSA-N	313.162	1.933	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)Nc2ccccn2)cc1F	161662574	XROWPUXEDOQIMD-UHFFFAOYSA-N	320.349	1.861	50	20	DDGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CC[C@H](CO)C1	162620239	OWSTXBDDMBMKCT-LBPRGKRZSA-N	303.811	1.471	50	20	DDGD	
CC(C)n1nccc1C(=O)NNC(=O)NCCc1cccs1	165394520	WHWQJBAOKLBURK-UHFFFAOYSA-N	321.406	1.712	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1cccc(F)c1F	165784253	BITLRAOILCOVIX-KWQFWETISA-N	313.304	1.535	50	20	DDGD	
Cc1ccc2cc(C(=O)NNC(=O)Cc3ccncc3)ccc2n1	151505861	BNEXDYILJVXYAQ-UHFFFAOYSA-N	320.352	1.942	50	20	DDGD	
N#Cc1ccc(CCC(=O)NNc2ncnc3nc[nH]c23)cc1	156274547	UJHVMAXYMJIDBL-UHFFFAOYSA-N	307.317	1.300	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(F)cc1F)N1CCSCC1	154156941	KLPUQEHYNQTQTG-SECBINFHSA-N	301.362	1.845	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCCc3sccc32)[nH]n1	159393279	SFVZMYZRLSPBGT-SNVBAGLBSA-N	304.375	1.661	50	20	DDGD	
C[C@H](NS(=O)(=O)c1ccc(CCl)cc1)c1ncn(C)n1	391722865	UMPDMVUJLJKGCQ-VIFPVBQESA-N	314.798	1.593	50	20	DDGD	
C[C@H](CN1CCOCC1)N(C)NC(=O)OCc1ccccc1	859386167	FRYVBDFFFQGHGC-CQSZACIVSA-N	307.394	1.480	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1cc(Br)ccc1C	7418623	YNGUQRGRJZSQFO-UHFFFAOYSA-N	307.169	1.087	50	20	DDGD	
COCCCCNC(=O)NNC(=O)Cn1ccc2ccccc21	104783548	UXSCOHHLERIARV-UHFFFAOYSA-N	318.377	1.398	50	20	DDGD	
N#Cc1ccc(CC(=O)NNC(=O)CCc2ccccc2O)cc1	171564929	WUZKPOHDVMJOLR-UHFFFAOYSA-N	323.352	1.587	50	20	DDGD	
COc1ccccc1C(=O)NNS(=O)(=O)c1ccccc1F	109145134	XPOPAHRHIFJVLM-UHFFFAOYSA-N	324.333	1.458	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CC(C)(C)c2ccccc2)cn1	117680510	YMKYCVCBZTYQPH-UHFFFAOYSA-N	300.362	1.549	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)CCn1cccn1	119936170	DABOLZKUNKQEHT-UHFFFAOYSA-N	322.752	1.396	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H]2CCCOC2)c1	171024741	FHVKVSASEISLGS-ZDUSSCGKSA-N	306.362	1.256	50	20	DDGD	
Cc1nnc(NNC(=O)c2ccc(COC(C)C)cc2)nc1O	21127789	SINFQJQZXIROLK-UHFFFAOYSA-N	317.349	1.568	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCCOC2CCCCCC2)cn1	118486846	SRXOYCPTSDZMGL-UHFFFAOYSA-N	323.397	1.104	50	20	DDGD	
CCc1ncc(C(=O)NNC(=O)Cc2ccc(F)cc2)s1	65105401	AAUFTPWAMFGAQY-UHFFFAOYSA-N	307.350	1.848	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CC[C@H]2CC[C@H](C)O2)cc1	175141071	YDVMBLRGUURASF-DZGCQCFKSA-N	319.405	1.902	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cccnc1OCC(F)(F)F	24661339	JEQRVLWFILTTEC-UHFFFAOYSA-N	319.283	1.830	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc(-c2ccccc2F)on1	65192131	QXSGHHULNBPIKP-UHFFFAOYSA-N	318.308	1.835	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNc2ccc(Cl)nn2)c1	118500198	MBKZLNWLWCLYGM-UHFFFAOYSA-N	306.709	1.674	50	20	DDGD	
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NN(C)C(N)=O	179695432	FRWNDSQBZJEKFN-UHFFFAOYSA-N	307.741	1.489	50	20	DDGD	
CCOCCCNC(=O)NNC(=O)[C@H](CC)c1ccccc1	67311817	ZNTFAGXZZKSZGT-CQSZACIVSA-N	307.394	1.937	50	20	DDGD	
COc1ccc(OC)c(C(=O)NNC(=O)NCC(F)(F)F)c1	60414759	XSJWMKOCKLFFFS-UHFFFAOYSA-N	321.255	1.210	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(N2CCCC2)nc1	123405158	YGHCOIYZXGCRCJ-GULXKOIASA-N	314.389	1.740	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1cccc(CCC(F)(F)F)c1	125802035	VUTMGWCFTVTSLO-UHFFFAOYSA-N	319.283	1.717	50	20	DDGD	
C=CCCOCCNC(=O)NNC(=O)c1cc2ccccc2o1	125092193	QKXWJFSMBWJUCE-UHFFFAOYSA-N	317.345	1.970	50	20	DDGD	
CC[C@@H](C)[C@@H](C)C(=O)NNC(=O)CNc1ccccc1OC	182973200	ZGZZOZLDXNHHNX-VXGBXAGGSA-N	307.394	1.937	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(C)o2)cc1	183270674	LXKUKJZGCRZFRT-UHFFFAOYSA-N	316.317	1.414	50	20	DDGD	
CC(=O)NCCNC(=O)NNc1c(Cl)cc(F)cc1Cl	128112065	BVSMLRJKQHHUQB-UHFFFAOYSA-N	323.155	1.895	50	20	DDGD	
COc1nccnc1NNC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O	184366377	POWFJTNAXZYPST-ZACCUICWSA-N	304.350	1.324	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2ccc(F)cc2O)c1	123169798	ZKNWYRZNPVDDRV-UHFFFAOYSA-N	317.320	1.672	50	20	DDGD	
C[C@@H]1CCSCCN1C(=O)NNC(=O)c1ccc(C#N)cc1	189783795	HHECUIQKSXITKA-LLVKDONJSA-N	318.402	1.740	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cc(F)c(F)cc1Cl	32262669	UYQPSRORSOITGH-JTQLQIEISA-N	304.680	1.558	50	20	DDGD	
CC(C)(NC(=O)Nc1ccccc1)C(=O)NNC(=O)C1CC1	72795206	DBDRKGWVUGTHQU-UHFFFAOYSA-N	304.350	1.144	50	20	DDGD	
COc1ccnc(C(=O)NNc2nc3ccccc3c(=O)[nH]2)c1	137185678	IBRMTKPIRZEWNH-UHFFFAOYSA-N	311.301	1.084	50	20	DDGD	
Cc1cccc([C@@H](C)C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c1	131683046	VTVMFCSAIOXYKH-UKRRQHHQSA-N	324.446	1.591	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	193049490	KRLZVDLNJKBDEQ-YHYXMXQVSA-N	311.275	1.802	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C(F)F)cc1	192986436	IZMWVWCKWIOJFY-QMMMGPOBSA-N	302.277	1.265	50	20	DDGD	
O=C(NCCCn1cccn1)NNC(=O)c1cccc(Cl)c1	193238457	GCEFQXBDPFUEOC-UHFFFAOYSA-N	321.768	1.571	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)C1(O)CCCCC1	86556102	ILPBMZLEONURFY-UHFFFAOYSA-N	315.373	1.553	50	20	DDGD	
O=C(O)[C@H](NS(=O)(=O)CBr)c1ccccc1	381359208	CUXBQCTVDIKFMG-MRVPVSSYSA-N	308.153	1.084	50	20	DDGD	
CC[C@H](NC(=O)c1c(C)nn(CCCl)c1C)C(=O)OC	84370693	BCNGLHQZZWFTGN-JTQLQIEISA-N	301.774	1.420	50	20	DDGD	
CNC(=O)NNC(=O)c1cncc(-c2ccc(N(C)C)cc2)c1	131666792	MXGFSQQQYGIKNX-UHFFFAOYSA-N	313.361	1.388	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cc[nH]n2)cc1	48016915	CDKYGNKBRSINEA-JTQLQIEISA-N	318.333	1.037	50	20	DDGD	
CSC[C@@H](CCO)NC(=O)/C(C#N)=C\c1ccc(O)cc1	194765767	BYELWDOVRFOGOR-LLBKUYECSA-N	306.387	1.529	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2ccsc2)cc1OC	143926089	CQKPKQDLNVXELW-UHFFFAOYSA-N	320.370	1.769	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)c2ccc[nH]2)[nH]c(C)c1C(C)=O	97464491	BHWXONXYAIVYNQ-UHFFFAOYSA-N	316.361	1.881	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1c(C(C)C)nn(C)c1Cl	255191648	ZTHNSCGPJQYKHN-YFHOEESVSA-N	310.785	1.866	50	20	DDGD	
N#Cc1ccccc1/C=C\C(=O)NNC(=S)Nc1ccccn1	255318253	MYHRJZBCHYBGOX-HJWRWDBZSA-N	323.381	1.984	50	20	DDGD	
CSCCCNC(=O)NNC(=O)COCc1ccccc1	265827750	TWMRLZGNYXDSNG-UHFFFAOYSA-N	311.407	1.287	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)Cc2ccco2)c(C)c1	269108295	CBPSSMSNVRECJG-UHFFFAOYSA-N	301.346	1.698	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNC(=O)C1CCC1)c1ccsc1	264688681	CWJUBZPECNGKHT-GFCCVEGCSA-N	310.423	1.481	50	20	DDGD	
Cc1[nH]c(C(=O)NNC(=O)C2CCC2)c(C)c1C(=O)OC(C)C	264804446	UTDSZZOCUNDLDR-UHFFFAOYSA-N	321.377	1.758	50	20	DDGD	
CCN1CCCC[C@H]1CNC(=O)NNC(=O)c1ccccc1F	264817313	GUWWCOAJOZMVAO-LBPRGKRZSA-N	322.384	1.644	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(C)c(OC)c1	276504272	CQJCRCIDRXGJKK-UHFFFAOYSA-N	324.377	1.554	50	20	DDGD	
CCc1ccc(CCC(=O)NNC(=O)N2CCN(C)CC2)cc1	278714245	TYHXHUMXDKVKCL-UHFFFAOYSA-N	318.421	1.170	50	20	DDGD	
CCOC(=O)Cc1cccc(NC(=O)NNC(=O)CC2CC2)c1	273548780	ZWNZSTDTJIIEQA-UHFFFAOYSA-N	319.361	1.745	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccccc1CSC	274020216	AIMISYXYXGVPQB-JTQLQIEISA-N	323.418	1.682	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CSCCS2)nc1	270361481	GVTHEBQYIVMUFR-SECBINFHSA-N	313.404	1.160	50	20	DDGD	
CCOCc1ccccc1CNC(=O)CN1CC=C(C#N)CC1	272660729	OOQWPTNMOGHYAF-UHFFFAOYSA-N	313.401	1.995	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNc1ccc(-n2ccnc2)nn1	278773203	YISLSZVXWZYSDQ-LLVKDONJSA-N	302.338	1.087	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)[C@@H]1CCCCO1	271999084	NOUCKNGXUGUNNK-FZMZJTMJSA-N	323.368	1.656	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC(C)(C)CCCO)s1	271801272	NJVPGMVYCZMTMD-UHFFFAOYSA-N	313.423	1.799	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)C1(c2cccnc2)CCCC1	377358355	GKVPDXZNEJGCAK-UHFFFAOYSA-N	313.361	1.007	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1ccccc1CC#N	279937939	MBRFIAZCRBGGHW-UHFFFAOYSA-N	309.391	1.498	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21	372808912	VHTSLOTUOKRVOA-QKCSRTOESA-N	319.361	1.294	50	20	DDGD	
Cc1noc(C)c1C(C)(C)C(=O)NNC(=O)NCc1ccco1	280926335	XVQKBQFGQPUDLJ-UHFFFAOYSA-N	320.349	1.693	50	20	DDGD	
O=C(NNc1cccc(F)c1)[C@@H]1COCCN1C1CCCC1	281198551	NAQIRHLXNFPOBR-HNNXBMFYSA-N	307.369	1.912	50	20	DDGD	
CN(CCCNC(=O)NNc1ncccc1F)CC(F)(F)F	286592796	KRRPZMMRWLZLEO-UHFFFAOYSA-N	323.294	1.731	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)C(=O)Nc1ccn(C(C)C)n1	281039440	NTPRMGURHKEJGJ-UHFFFAOYSA-N	319.340	1.993	50	20	DDGD	
CO[C@H](C(=O)NNc1nccnc1C1CCC1)c1cnn(C)c1	287203359	NCCSIHDKJBUMAY-ZDUSSCGKSA-N	316.365	1.308	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)C(C)(C)C2CC2)nc2ccccc21	289080000	NQYSGVWWLMEMHL-UHFFFAOYSA-N	314.389	1.699	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)C[C@H]2CCC(=O)[C@H]2C)n1	281605451	YQIVNBGFJNFROA-NWDGAFQWSA-N	319.409	1.771	50	20	DDGD	
CCn1nccc1NC(=O)NNc1ccc(-n2ccnc2)nn1	806390236	HVOVCPQDHNENRZ-UHFFFAOYSA-N	313.325	1.027	50	20	DDGD	
Cn1nc(NC(=O)NNC(=O)Cc2ccncc2)cc1C1CC1	290668673	SOXNXIGRXLHGQM-UHFFFAOYSA-N	314.349	1.088	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)Nc2cccnc2)c1	804029732	CBMRUAVRVCIJJJ-UHFFFAOYSA-N	316.317	1.565	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1cnc(S)[nH]1	803435545	DJSDMMAPNYSTCE-UHFFFAOYSA-N	301.331	1.297	50	20	DDGD	
Cc1ccc(C(=O)N[C@H](C(=O)NNc2nnc[nH]2)C(C)C)cc1	293953990	PIYHGTBPRZYHFF-LBPRGKRZSA-N	316.365	1.011	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)[C@@H]1CCCSC1	809950595	TXLHDRNZWXQRMD-MFKMUULPSA-N	322.386	1.117	50	20	DDGD	
Cc1nc(C(C)C)ccc1C(=O)NNC(=O)N1CCN(C)CC1	295508704	TXMAHZMNIVXIMK-UHFFFAOYSA-N	319.409	1.115	50	20	DDGD	
CSSCCNC(=O)[C@@H]1CCCN1C(=O)NC(C)C	803479736	IAJQVLALVGNYSG-JTQLQIEISA-N	305.469	1.696	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C(C)(C)C)c(OC)c1OC	298791478	FFRDAMVUAOZRHZ-UHFFFAOYSA-N	310.350	1.520	50	20	DDGD	
CSSCCNC(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21	807229118	OGWXNERSFHOQAE-UWVGGRQHSA-N	303.453	1.450	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cccc(-n2cccc2)c1	802027020	NVYMZDZMYINFBF-UHFFFAOYSA-N	321.340	1.761	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)c1cc2ccccc2o1)OC	290771375	QYWFVLPLUKYOCZ-NSHDSACASA-N	305.334	1.802	50	20	DDGD	
C=CCC(C)(C)C(=O)NNC(=O)Cn1cnc2ccccc21	292231917	BDCQKOHQIOFMFE-UHFFFAOYSA-N	300.362	1.786	50	20	DDGD	
C[C@H](Oc1ccc(C=O)cc1)C(=O)NNc1ccnc(F)c1	803089499	BVNVFJUJCPQFHY-JTQLQIEISA-N	303.293	1.944	50	20	DDGD	
CC(C)(C)c1nc(C(=O)NNC(=O)N=c2cc[nH]cc2)cs1	802030024	UDNNWZAZVUVPMB-UHFFFAOYSA-N	319.390	1.724	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C2(C#N)CCOCC2)cc1	802056209	DOIHXKNOYGDUON-UHFFFAOYSA-N	318.333	1.168	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@@H]1C[C@H]1Cc1ccccc1	296279847	BOPMWROHJOWBMJ-KFWWJZLASA-N	317.389	1.517	50	20	DDGD	
Cc1cc2ncc(C(=O)NNc3ncccc3F)c(C)n2n1	804217041	PXMDAWNKSDUEGO-UHFFFAOYSA-N	300.297	1.637	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC2CCC(N(C)C)CC2)n1	817178225	QMMLJGMLNQZFQX-UHFFFAOYSA-N	322.413	1.293	50	20	DDGD	
O=C(NN=Cc1ncc(Br)s1)N1CCOCC1	814820787	BXNAEBKUFJKINP-UHFFFAOYSA-N	319.184	1.281	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1ccc([Si](C)(C)C)cc1	810853938	CNLRZSRPXXGFJA-UHFFFAOYSA-N	307.470	1.467	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cc2c(cn1)CCCC2	813012849	ZNKGERWWPREXAV-UHFFFAOYSA-N	314.349	1.908	50	20	DDGD	
C[C@H](C#N)Oc1ccc(C=NNC(=O)N=c2cc[nH]cc2)cc1	815000698	PKAQIFWTBZLQRI-GFCCVEGCSA-N	309.329	1.950	50	20	DDGD	
Cn1nncc1NNC(=O)Cc1ccc(Br)cc1	816769513	LVZDSVAOGQHJIW-UHFFFAOYSA-N	310.155	1.263	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cc(F)ccc1Cl	814311004	DFDXBNPRXOAFJD-UHFFFAOYSA-N	313.638	1.985	50	20	DDGD	
COCc1nc(CNC(=O)NNC(=O)c2ccccc2)cs1	811854019	OAEQFEMXJUUFDV-UHFFFAOYSA-N	320.374	1.434	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1cccc(CN(C)C)c1	814864637	GXIBGGSERONHES-AWEZNQCLSA-N	321.421	1.640	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H]2CCCSC2)c1	810549303	KDGFNHHSFKWZMP-ZDUSSCGKSA-N	322.430	1.973	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2c(C)nn(C)c2N)c(OC)c1	814839984	DWSYYELJQXGWSR-UHFFFAOYSA-N	317.349	1.092	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCCSC1	811412489	RJZKTCVJTVZNOT-MNOVXSKESA-N	316.423	1.255	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cc(N)nc(Cl)c2)c1	728871030	MTFGQBHWNPSDKB-UHFFFAOYSA-N	315.720	1.264	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1nc2ccccc2nc1C1CC1	823918243	SZEIBVWCHVROKT-JTQLQIEISA-N	300.362	1.465	50	20	DDGD	
CCn1cc(CNC(=O)NNc2ccc([N+](=O)[O-])cc2F)nn1	821722607	MFKZNYQRNZZHJC-UHFFFAOYSA-N	323.288	1.172	50	20	DDGD	
C[C@@H](CCS(C)(=O)=O)NC(=O)/C(C#N)=C\c1ccc(O)cc1	491082229	IICSTQVPIPCQOU-KWJWQAOWSA-N	322.386	1.239	50	20	DDGD	
Cc1cccc(CCCNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n1	826772991	IKSRESYPELFWDG-GXTWGEPZSA-N	320.393	1.078	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H](C(=O)NNC(=O)C1CC1)C1CCC1	496789143	BZWDXVPSJVHRSX-NSHDSACASA-N	311.382	1.237	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@@]1(c2ccccc2)CCCO1	823367877	CSWQVNZOJDCZKV-ZDUSSCGKSA-N	316.279	1.792	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1C[C@H]1c1ccccc1F	826950942	AIHULLCPGCKZIU-JYYRZZBQSA-N	321.352	1.437	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)Cc1cc(Br)ccc1F	823718839	PWAMUDDHMRNGTA-QMMMGPOBSA-N	319.174	1.475	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	823994134	ZGXOVXLLMABQKA-LLVKDONJSA-N	322.365	1.152	50	20	DDGD	
CC(C)CCN1CCC(CNCc2ccccc2B(O)O)CC1	585026874	SURJFNNAILEVTR-UHFFFAOYSA-N	318.270	1.214	50	20	DDGD	
COC(=O)C1CCN(C(=O)[C@]2(C)C[C@@H]2Br)CC1	905113509	QSXNKTRVSYNSKW-JOYOIKCWSA-N	304.184	1.572	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@@H]1C[C@H]2C=C[C@H]1CC2	826984696	OFCXCHNYLXPRIP-PEDHHIEDSA-N	307.394	1.344	50	20	DDGD	
Cc1cc(-n2c(C)cc(C(=O)NN(C)[C@H](C)CO)c2C)no1	823982821	FAFLGFSUTKYLDI-SNVBAGLBSA-N	306.366	1.348	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)/C=C\c2ccc[nH]2)cc1	493148089	IQIDIVWOJFDFPG-TWGQIWQCSA-N	300.318	1.889	50	20	DDGD	
COc1cccc([C@H](OC)C(=O)NNC(=O)NC2CCCC2)c1	824343220	ULXQOAMOJPVUSN-AWEZNQCLSA-N	321.377	1.656	50	20	DDGD	
COc1ccc(SCCC(=O)N2CC[C@@H](B(O)O)C2)cc1	585069318	MXBBIIDWNVJSNI-LLVKDONJSA-N	309.196	1.253	50	20	DDGD	
O=C(C[C@@H]1CC[C@H]2C[C@H]12)NNc1nccc(N2CCOCC2)n1	826966866	VOMWRMUTBLZONV-AVGNSLFASA-N	317.393	1.193	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc(OC)c(OC)c1C	490939413	GQBCEIFRLGAZSC-LCYFTJDESA-N	304.346	1.682	50	20	DDGD	
CNC(=O)/C(C#N)=C\c1ccc(OC)c2oc(C(=O)OC)cc12	490725806	LCXBHCGPMHBXJE-POHAHGRESA-N	314.297	1.881	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc2nncn2c1	491105136	PMLTWSBSMYRZJQ-GHXNOFRVSA-N	305.297	1.981	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCC1Cc2ccccc2C1	735384761	GQUVDRCHBHHHSS-UHFFFAOYSA-N	315.295	1.684	50	20	DDGD	
O=C(NN=C1CCN(CCC(F)(F)F)CC1)c1ncon1	901289330	FYXKLEVRQNCORC-UHFFFAOYSA-N	305.260	1.204	50	20	DDGD	
O=C(CNS(=O)(=O)CCl)N1CCCc2ccccc21	830181550	PCKWFCVJQBNRHO-UHFFFAOYSA-N	302.783	1.082	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1CCCCO1)c1ccc(OC)cc1	833243373	RDWNQJOVHFWXPU-GJZGRUSLSA-N	320.389	1.905	50	20	DDGD	
O=C(COc1cc(Cl)cc(Cl)c1)N1CC[C@@H](B(O)O)C1	585067203	RMCNVMMCEOTLSB-MRVPVSSYSA-N	317.965	1.448	50	20	DDGD	
O=C(CCc1nccs1)NNC(=O)COc1ccccc1O	730780221	KYYZLXWUVMFDGH-UHFFFAOYSA-N	321.358	1.008	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@H](C)[C@@H](C)OC)cc1	836464119	OZCFCKXBLZWPQG-NXEZZACHSA-N	310.354	1.454	50	20	DDGD	
Cc1cccnc1CC(=NNC(=O)c1ncon1)C(F)(F)F	901289678	KUYQDIXRWHCZNH-UHFFFAOYSA-N	313.239	1.664	50	20	DDGD	
Cc1cccc2c1CCN([C@@H](C)C(=O)NNC(=O)CC(C)C)C2	732201009	FJFSQXVRJHDRRU-AWEZNQCLSA-N	317.433	1.935	50	20	DDGD	
CCC[C@]1(C)CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1	584953415	CMONXJCQOLKRDY-MRXNPFEDSA-N	307.174	1.548	50	20	DDGD	
CC[C@@H](C)n1ncc(NCc2ccc(B(O)O)o2)c1C1CC1	585033585	FBLLQKNDSFFJNH-SNVBAGLBSA-N	303.171	1.616	50	20	DDGD	
CC(C)c1ccccc1NC(=S)NNC(=O)[C@H](O)C1CC1	834742530	SNWJYUXDSKQACW-CYBMUJFWSA-N	307.419	1.899	50	20	DDGD	
COCCC1(C(=O)NNc2ccc(C(=O)OC)cc2F)CC1	837207617	QNUBQMDRKHUBAV-UHFFFAOYSA-N	310.325	1.872	50	20	DDGD	
COc1cc(OC)cc([C@@H](NNC(=O)CCC(C)C)C(=O)O)c1	832067976	UMMFSFUKERPZQM-OAHLLOKOSA-N	324.377	1.887	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1ccn(-c2ccccc2)n1	919657939	FAUQNTDZZFDJLK-UHFFFAOYSA-N	315.377	1.749	50	20	DDGD	
O=C(C[C@H]1Oc2ccccc2NC1=O)NNC(=O)C1CCCC1	914843275	IDGNMSBTEYRJMB-CYBMUJFWSA-N	317.345	1.114	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1c(F)cc(F)cc1F	836488585	PSHRQEZXRBHFTI-UHFFFAOYSA-N	303.284	1.980	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC[C@@H]2CCCO2)c(F)c1	837313654	MPOOEXFPEWSVLG-JTQLQIEISA-N	311.313	1.417	50	20	DDGD	
COc1ccc2nc(NNC(=O)[C@@H]3C[C@@H]3C(=O)O)c(C)cc2c1	833735411	ZWCJCZKVACPBLX-NEPJUHHUSA-N	315.329	1.716	50	20	DDGD	
CC(C)NC(=O)NNC(=O)COCc1nc2ccccc2s1	745146501	YBSSSBCZIFMMDB-UHFFFAOYSA-N	322.390	1.552	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2ccc(CN)cc2)n1	831318345	RJQNRCLSZDZSHD-UHFFFAOYSA-N	300.366	1.378	50	20	DDGD	
O=C(COC[C@@H]1CCCO1)NNC(=O)c1cc2c(s1)CCC2	746385678	IWUNLDAAHXIICN-NSHDSACASA-N	324.402	1.193	50	20	DDGD	
NC(=O)[C@@H]1C[C@@H]1C(=O)NNc1nc2ccc(Cl)cc2s1	912711866	PMQTVOZKPQRLED-RQJHMYQMSA-N	310.766	1.514	50	20	DDGD	
COc1ccccc1-c1nn(C)cc1C(=O)NN(C)C[C@@H](C)O	910162804	KVGYSWDBQFUXQG-LLVKDONJSA-N	318.377	1.053	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)Cc2nc(C3CC3)nn2C)n1	843909135	GFPYIUVJMFDKHM-UHFFFAOYSA-N	321.772	1.130	50	20	DDGD	
COc1ccnc(NNC(=O)Cc2cc(Cl)ccc2OC)n1	914762868	VHQPHJUYEXXOMK-UHFFFAOYSA-N	322.752	1.833	50	20	DDGD	
CC(C)NC(=O)NNS(=O)(=O)c1cccc2c1CCCC2	748641523	KXPFEIUAKWMRQX-UHFFFAOYSA-N	311.407	1.466	50	20	DDGD	
O=C(NC[C@@H]1CCCNC1)NNC(=O)c1ccc(Cl)cc1	841925362	DBRCWHJTIWUZQS-SNVBAGLBSA-N	310.785	1.284	50	20	DDGD	
O=C(NNC(=O)[C@@H]1Cc2ccccc21)c1cccc([N+](=O)[O-])c1	741883481	VISNQGFIHIRHAF-CQSZACIVSA-N	311.297	1.696	50	20	DDGD	
CCc1ccc([C@H](C)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	843646238	INOFZPSSPVNBMQ-HUBLWGQQSA-N	304.390	1.925	50	20	DDGD	
C[C@H](N)CNC(=O)NNC(=O)Cc1cccc2ccccc12	841986165	SBWMKDNDDDCTDH-NSHDSACASA-N	300.362	1.060	50	20	DDGD	
C[C@H](CCCc1cccnc1)NC(=O)NNc1ccncn1	841590607	SOHDHZWAEHYBDV-GFCCVEGCSA-N	300.366	1.909	50	20	DDGD	
CC(=O)Nc1ccc(F)c(C(=O)NNC(=O)CC(F)(F)F)c1	919751398	SVZLCDUHQKIEOM-UHFFFAOYSA-N	321.230	1.498	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1ccc2c(c1)oc(=O)n2C	842556900	CFMJWCVACSTUFF-GXSJLCMTSA-N	303.318	1.007	50	20	DDGD	
Cn1ccnc(NNC(=O)c2ncoc2-c2ccccc2)c1=O	747937443	FWPIVSIKHPBNRP-UHFFFAOYSA-N	311.301	1.192	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc([N+](=O)[O-])c1	843649764	XEJGFDPUVJRXMF-JOYOIKCWSA-N	307.306	1.089	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@@H]1COCc2ccccc21	842188598	IUYLEEGUOAOEJE-SNVBAGLBSA-N	317.267	1.541	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)C[C@@H]2CCOC2)cc1	743829073	XSNWSEDIGNBHIX-NSHDSACASA-N	306.366	1.332	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc(-c2cccnc2)on1	916160640	VGPKPHKQOFZRQN-UHFFFAOYSA-N	311.301	1.150	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)c1cccs1)[C@@H]1CC1(C)C	842164093	QZZTUVPAJNZLJW-WDEREUQCSA-N	309.435	1.923	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cccc2ccccc12)[C@@H](C)N	842004418	KPHYFOBRCVERMP-MNOVXSKESA-N	300.362	1.520	50	20	DDGD	
COCc1csc(C(=O)NNC(=O)NCC(F)(F)F)c1	847118011	ZVAKEDVGXZLZJV-UHFFFAOYSA-N	311.285	1.401	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)Sc1cccnc1C#N	848438276	IETWJRUFKDLKQG-JTQLQIEISA-N	306.391	1.627	50	20	DDGD	
COC/C(C)=C/C(=O)NNC(=O)COc1cc(C)cc(C)c1	845080784	ZRWIOGHSSJXRJR-MDWZMJQESA-N	306.362	1.422	50	20	DDGD	
CCCNC(=O)NNC(=O)C1CCN(CC(F)(F)F)CC1	921038200	JEKVERMMECAGRJ-UHFFFAOYSA-N	310.320	1.001	50	20	DDGD	
CC(C)CCn1cc(C(=O)NNC(=S)N[C@@H](C)C2CC2)nn1	751620660	XOXIYJWWKPHWNH-JTQLQIEISA-N	324.454	1.232	50	20	DDGD	
CC(C)(C)OC1CCN(CC(=O)NNC(=O)C(C)(C)C)CC1	759385715	MLOAWBNXSSVRSL-UHFFFAOYSA-N	313.442	1.459	50	20	DDGD	
C[C@@](O)(CC(=O)NNC(=O)c1cc(Cl)ccc1O)C1CC1	756746863	YDFFNYUCJAOUMZ-CQSZACIVSA-N	312.753	1.358	50	20	DDGD	
COCCCCC(=O)NNC(=S)NCCc1cccs1	753078891	SJWZHHCWOGDABC-UHFFFAOYSA-N	315.464	1.603	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C/C=C\c1ccc(F)cc1F	758083365	JGPWRZORGCOJNZ-HZZFLGHQSA-N	307.300	1.702	50	20	DDGD	
Cc1nnc(NNC(=O)c2cncc(-c3ccccc3)c2)nc1O	758246895	CAEXARMXRUIOLK-UHFFFAOYSA-N	322.328	1.705	50	20	DDGD	
CCC(O)(CC)CCNC(=O)NNC(=O)c1cc(C)cs1	858384841	WRICWWOUNGUDKR-UHFFFAOYSA-N	313.423	1.942	50	20	DDGD	
C[C@@H](CCN(C)C)NC(=O)NNc1ccc([N+](=O)[O-])cc1F	853543269	RYQGJQXMMJPUJW-VIFPVBQESA-N	313.333	1.700	50	20	DDGD	
CCOc1cccc(CCC(=O)NNC(=O)c2cnn(C)c2)c1	859446919	HEHUNDUEARNMFW-UHFFFAOYSA-N	316.361	1.213	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@H]2CCCN2C(C)C)c1	929245529	XVBYFWNKPUUCLV-OAHLLOKOSA-N	319.405	1.394	50	20	DDGD	
CO[C@@H]1C[C@@H](NC(=O)NNC(=O)CCc2ccccc2)C1(C)C	753428069	BPUPOLKHGWLEMH-ZIAGYGMSSA-N	319.405	1.763	50	20	DDGD	
C[C@@H]1COC[C@@H]1NC(=O)NNC(=O)c1cccc2ccccc12	926001813	BIKCWGWTFJCZDO-ABAIWWIYSA-N	313.357	1.819	50	20	DDGD	
CC(C)C1(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)COC1	929294377	CHVRVZKKLGPCTF-NSHDSACASA-N	324.352	1.413	50	20	DDGD	
CNC(=O)c1ccc(C(=O)NNc2cccnc2Cl)cn1	754475630	OTAPCVPNHCSITA-UHFFFAOYSA-N	305.725	1.247	50	20	DDGD	
CCCC(=O)N1CCC[C@@H]1C(=O)NNc1ccc(C#N)cn1	924819972	HPFJIHGYCBKBJZ-GFCCVEGCSA-N	301.350	1.187	50	20	DDGD	
CN(C)c1noc(CCC(=O)NNc2ccc(Cl)cn2)n1	856091907	YEPBNHHHBSZKST-UHFFFAOYSA-N	310.745	1.260	50	20	DDGD	
C[C@H](O)[C@@H]1CCCN(C(=O)NC[C@]2(C)C[C@@H]2Br)C1	856955188	WFXIKPBRYWOCEJ-NOHGZBONSA-N	319.243	1.962	50	20	DDGD	
CC(=O)N(C)c1ccc(NC(=O)NNC(=O)c2ccc[nH]2)cc1	756262872	UOQUDSYVHWQCAY-UHFFFAOYSA-N	315.333	1.464	50	20	DDGD	
CC(C)(C)OCCCNC(=O)NNC(=O)c1ccc(C#N)cc1	852028975	AHQYFAHBJIHTCP-UHFFFAOYSA-N	318.377	1.707	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1nccnc1Sc1ccccc1	751727794	YGXYNIFLZXBAHS-UHFFFAOYSA-N	317.374	1.544	50	20	DDGD	
CCCn1nccc1C(=O)NNC(=O)CCc1ccccc1O	857118673	QFONJAHLOUZYRN-UHFFFAOYSA-N	316.361	1.393	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NC[C@]1(C)C[C@@H]1Br	857690349	RUEVPZICRJVKFX-MDZLAQPJSA-N	317.227	1.677	50	20	DDGD	
O=C(CCC1CCOCC1)NNC(=O)c1cccc(Cl)n1	857326121	RTASXQZZMCXDHS-UHFFFAOYSA-N	311.769	1.703	50	20	DDGD	
C[C@H]1COC[C@H]1NC(=O)NNC(=O)c1ccc(Cl)cc1F	926010691	PMAWEKIJTJDYCJ-WRWORJQWSA-N	315.732	1.458	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCC[C@@H](CC#N)C2)n1	852293226	KSAXIHVRBNWLHT-LBPRGKRZSA-N	301.350	1.370	50	20	DDGD	
CC[C@@H]1CN(C(=O)NNC(=O)c2cc(C)cs2)C[C@H](C)O1	858705396	FEIMWEIVXVKGGB-WDEREUQCSA-N	311.407	1.910	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)COCc2ccccc2)cn1	757732716	KCKILJNRHBXTGR-UHFFFAOYSA-N	314.345	1.760	50	20	DDGD	
C#CC[C@H](CCOC)NC(=O)NC[C@@]1(C)C[C@H]1Br	858628478	HVPAHNGQBLOXIH-NQBHXWOUSA-N	317.227	1.888	50	20	DDGD	
COc1cc(C=NNC(=O)C2CCCC2)ccc1OCC(=O)O	755643729	YVSCHSRDQMCBBJ-UHFFFAOYSA-N	320.345	1.799	50	20	DDGD	
COCCCC(C)=NNC(=O)c1ccc(-n2cnnn2)cc1	759191615	FCDSFRSFTLSKRE-UHFFFAOYSA-N	302.338	1.195	50	20	DDGD	
COCCC1(CNC(=O)NNC(=O)c2cn[nH]c2)CCCCC1	858372225	MSQMRMBUAUPZFY-UHFFFAOYSA-N	323.397	1.341	50	20	DDGD	
Cc1ccc(C(Cc2ccccc2)=NNC(=O)C(N)=O)cc1C	751131987	YECZMWPDQCHHFA-UHFFFAOYSA-N	309.369	1.852	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(OC)nc1Cl	930718109	LQACEOWNLAGCJY-UHFFFAOYSA-N	300.746	1.488	50	20	DDGD	
CCC[C@H](O)C(=O)NNC(=S)Nc1ccc(OC)c(F)c1	935796850	ZMGMGCCLVDYILT-JTQLQIEISA-N	315.370	1.313	50	20	DDGD	
CC(C)n1ccc(CC(=O)NNC(=S)N[C@H](C)C2CC2)n1	855100891	LATOZHMTFIJQGI-SNVBAGLBSA-N	309.439	1.300	50	20	DDGD	
Cn1cc(Cl)c(C(=O)NC[C@@]2(C)C[C@@H]2Br)n1	862259096	YGWAUQCOOOAVOL-OIBJUYFYSA-N	306.591	1.977	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cnc2ccccc2n1	769227801	MDSCNIJLJPPXIZ-UHFFFAOYSA-N	303.391	1.537	50	20	DDGD	
O=C(NN=C1CC(C(F)F)C1)C1CCN(c2ncccn2)CC1	766021690	KNUVWFCIYFGDOX-UHFFFAOYSA-N	323.347	1.840	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNC(=O)c1cc2c(s1)CCC2	762682047	QNWWRXNCTPSHSG-UHFFFAOYSA-N	324.402	1.587	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccnc(C2(C)CC2)n1	931092308	VEWCDWCLRWZGPN-UHFFFAOYSA-N	301.350	1.484	50	20	DDGD	
Cc1sc(Cl)nc1C(=O)NNc1nc2ccccn2n1	762923941	VQSNQHYIEUDWLH-UHFFFAOYSA-N	308.754	1.905	50	20	DDGD	
COC[C@@](C)(O)C(=O)NNc1c(Cl)cc(F)cc1Cl	768013239	QZQOCLBQMDANRK-LLVKDONJSA-N	311.140	1.973	50	20	DDGD	
Cc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)c1ccncc1	765883492	BXLZLWIREMJAEM-UHFFFAOYSA-N	300.274	1.373	50	20	DDGD	
C[C@@H]1CCC[C@H](N2CCC(=NNC(=O)[C@@H]3CCC(=O)N3)CC2)C1	863148797	KVTBJGNCXPINGZ-SNPRPXQTSA-N	320.437	1.412	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cccc2c1OCC2	935196235	HDZZYZIINUMFEA-UHFFFAOYSA-N	311.432	1.093	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CCC(=O)N1)c1cc(C)ccc1OC	863147764	LOFYHCYPIRMPER-CYBMUJFWSA-N	303.362	1.513	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(C(F)(F)F)cn1	764481381	FOTZLJHSBMJLPD-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
C[C@H]1Cc2ccccc2C1=NNC(=O)CNC(=O)c1cccnc1	763195413	OLQFXEAUGBDCNF-LBPRGKRZSA-N	322.368	1.524	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccsc1	764047121	BTFDJDJNEUHVQC-UHFFFAOYSA-N	319.342	1.156	50	20	DDGD	
C[C@]1(CNc2ccccc2S(N)(=O)=O)C[C@@H]1Br	865961862	XUNWBSDXAACYHL-WDEREUQCSA-N	319.224	1.919	50	20	DDGD	
O=C(/C=C\CN1CCOCC1)NNc1c(F)cccc1Cl	867482010	IIBIAVJOFFSFPZ-DJWKRKHSSA-N	313.760	1.811	50	20	DDGD	
O=C1CN(C(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)CCCN1	769753116	NDTOBMGSEBHOLH-OUJBWJOFSA-N	315.211	1.289	50	20	DDGD	
Cc1cc(F)c(S(=O)(=O)NNC(=O)C2CCCC2)cc1F	762603699	PVGOILVNCCWFOC-UHFFFAOYSA-N	318.345	1.773	50	20	DDGD	
CC(C)[C@@H](CC1CCCCC1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1	862454949	LPJHCZIYCQNERJ-KGLIPLIRSA-N	323.437	1.655	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC(O)(c2ccccc2)C1	867265168	CKSZLJKPCJVGDI-UHFFFAOYSA-N	317.838	1.785	50	20	DDGD	
O=C(NNc1ccc(-n2cccn2)nn1)N[C@@H]1CCC(F)(F)C1	764376150	GVBNRRUNINYNAO-SECBINFHSA-N	323.307	1.476	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCC(=O)N1)c1ccc(C)c([N+](=O)[O-])c1	863145192	GYTLONMHFKHOJA-LLVKDONJSA-N	304.306	1.022	50	20	DDGD	
C[C@@H]1CN(C(=O)OC(C)(C)C)CC1=NNC(=O)c1ccc[nH]1	863075891	APBGIHHGVKAEDE-SNVBAGLBSA-N	306.366	1.987	50	20	DDGD	
Cc1ccccc1NNC(=O)c1nn(C)c(=O)c2ccccc12	865520458	QFWASKJZAPVUJU-UHFFFAOYSA-N	308.341	1.999	50	20	DDGD	
COC1(C(=O)NC[C@@]2(C)C[C@H]2Br)CCNCC1	1118755374	YHIVMFYHKCRQIQ-MWLCHTKSSA-N	305.216	1.045	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)CCc2ccccc2O)CCC1=O	764176917	ZHSGYOSAVGLEIS-DGCLKSJQSA-N	318.373	1.478	50	20	DDGD	
Cc1cc(=NNC(=O)c2c(C)noc2C(F)(F)F)cc[nH]1	862512763	HIVMMXNMHLCXTN-UHFFFAOYSA-N	300.240	1.884	50	20	DDGD	
CN1C(=O)Cc2cc(OS(=O)(=O)CBr)ccc21	767637801	WIOBMNCAOSCKAV-UHFFFAOYSA-N	320.164	1.267	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cc2c(ccc3ccccc32)[nH]1	768259787	QSCUUXVESIPPSO-UHFFFAOYSA-N	311.341	1.853	50	20	DDGD	
O=C(CN1CSCC1=O)NNc1ccc(F)c(Cl)c1	863079288	XQVLCSBDWJOLDF-UHFFFAOYSA-N	303.746	1.455	50	20	DDGD	
C=CCOCC(=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	768276609	KORUZORBMZWKFW-UHFFFAOYSA-N	318.308	1.179	50	20	DDGD	
CC(=O)NNC(=O)c1ccc2c(c1)nc(O)n2CC(F)(F)F	767811593	SJDMIMMDSQDRPW-UHFFFAOYSA-N	316.239	1.085	50	20	DDGD	
Cc1nn(CC(=O)NNC(=O)C(C)C)cc1-c1ccccc1	767428643	JJLXXWCTNUFPFD-UHFFFAOYSA-N	300.362	1.662	50	20	DDGD	
COC(=O)CN(C(=O)[C@@H](Br)C(C)(C)C)C1CC1	768244156	YUHCRCFLBJFKOL-SNVBAGLBSA-N	306.200	1.960	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2C[C@H](OC)C2)c1C	875903984	PTGKRZWOYVFHED-XYPYZODXSA-N	307.350	1.585	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NC1(C(F)(F)F)CCC1	879378668	VDLLIHFAGNTTFE-UHFFFAOYSA-N	307.194	1.754	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNC(=O)c1ccccc1F)C(C)C	873751588	UFWILBXDKVUROD-GFCCVEGCSA-N	310.325	1.422	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@]2(C)CCNC2=O)c(C)c1	873759919	HLPMSEFLUIHSAQ-OAHLLOKOSA-N	320.418	1.147	50	20	DDGD	
CC[C@H](NNC(=O)c1cn[nH]c1)C(=O)N(C)c1ccc(C)cc1	871895954	FFCWIBFXYMERBX-AWEZNQCLSA-N	315.377	1.394	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)c1ncccc1O	771744316	FLAPFKPBWXYALC-UHFFFAOYSA-N	309.123	1.702	50	20	DDGD	
CCOCCCNC(=O)NNc1cccc(S(C)(=O)=O)c1	776608778	OCWNABYOHBYJRQ-UHFFFAOYSA-N	315.395	1.143	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)C2CCC=CCC2)C[C@@H](C)O1	877999433	WMKXCQSZAXVIMG-OKILXGFUSA-N	323.437	1.380	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CN2CCOC2=O)c(C)c1	873760710	VYSFGYPVJADFAJ-UHFFFAOYSA-N	322.390	1.073	50	20	DDGD	
CCOc1ccccc1C(=O)O[C@@H](C)C(=O)NNC(=O)CC	771892903	ZMCYWHSDBIPZRS-JTQLQIEISA-N	308.334	1.188	50	20	DDGD	
O=C(CO)NN=Cc1ccc(OCc2ccc(F)cc2)cc1	776780575	KTMZOPZCGRKOEZ-UHFFFAOYSA-N	302.305	1.847	50	20	DDGD	
COC[C@H](C)CNC(=O)NNC(=O)c1nc2ccccc2s1	872875929	KMVIVVMWZYOVBY-SECBINFHSA-N	322.390	1.523	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cc(Cl)cc(Cl)c1	779824115	YPZYMEKDFSMTKQ-UHFFFAOYSA-N	304.133	1.800	50	20	DDGD	
CC/C(C)=C(\C)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	779760546	UNWAODFQRZDCSS-ZHACJKMWSA-N	304.346	1.965	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)Nc1ccncn1	770767740	FUUJQLFDQAZVGI-UHFFFAOYSA-N	315.333	1.271	50	20	DDGD	
Cc1noc(C)c1NC(=O)C(=O)NNc1ccc([N+](=O)[O-])cc1	773643810	GTXWIAHLZZDTOO-UHFFFAOYSA-N	319.277	1.281	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC[C@H](N2CCCCC2=O)C1	870830922	MQVJQMNOTUHTSV-FNDVETGQSA-N	305.378	1.434	50	20	DDGD	
CC1(C)CCC[C@@H]1C(=O)NNc1nccc(N2CCOCC2)n1	776172750	FZHINMUZVULMON-GFCCVEGCSA-N	319.409	1.583	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1COc2ccc(F)cc2C1	1119982798	CFZGOOJJWXMTAZ-LBPRGKRZSA-N	304.321	1.328	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1csc(Br)n1	874247379	RLQPKCHOXLFTEG-UHFFFAOYSA-N	307.173	1.258	50	20	DDGD	
O=S(=O)(CCCCl)NCc1ncnn1-c1ccccc1	882136808	RROQABAMMIGVGX-UHFFFAOYSA-N	314.798	1.316	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2ccncn2)cc1	778299477	SRHYIPADZHNGEV-UHFFFAOYSA-N	302.359	1.338	50	20	DDGD	
CC1(Cn2cc(C(=O)NNc3ccc(F)c(F)c3)nn2)COC1	885113273	VHTSVLLCPIQEJW-UHFFFAOYSA-N	323.303	1.350	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc([N+](=O)[O-])cc2O)n1	773726532	MYEWEIIOBVNMFN-UHFFFAOYSA-N	304.262	1.461	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(OC)c(COC)c1	880668245	ZVFYVFKKXTXVCA-UHFFFAOYSA-N	311.338	1.031	50	20	DDGD	
COC1(OC)CC(CNC(=O)NNC(=O)c2ccccc2C)C1	1123650420	SIFFGLIEPBRGIF-UHFFFAOYSA-N	321.377	1.338	50	20	DDGD	
CN(NC(=O)CCOc1ccc(Cl)c(Cl)c1)C(N)=O	778415275	CTXFSFCVNMEUJR-UHFFFAOYSA-N	306.149	1.804	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)Cc1cc(Cl)ccc1F	782478997	WWLFUYJYNLYVLF-UHFFFAOYSA-N	323.777	1.475	50	20	DDGD	
C=CCCN(C)C(=O)NNC(=O)c1cc(Br)c[nH]1	786103514	KRJYQTRDEICPCD-UHFFFAOYSA-N	315.171	1.640	50	20	DDGD	
O=S(=O)(CCCCl)N1CCC(O[C@H]2CCOC2)CC1	881965216	VLTIJAIGFIMMMB-LBPRGKRZSA-N	311.831	1.215	50	20	DDGD	
Cc1cccnc1C(F)(F)C(=O)NNC(=O)c1ccccn1	786584110	FNTOBXUNTLGZCE-UHFFFAOYSA-N	306.272	1.338	50	20	DDGD	
O=S(=O)(CBr)NCCOc1ccccc1F	782397655	BDVLFEROFGCECP-UHFFFAOYSA-N	312.160	1.476	50	20	DDGD	
C[C@H]1CN(C(=O)C(=O)NNc2ccccn2)c2ccccc2O1	784797921	KIMWMRDAONTGFC-NSHDSACASA-N	312.329	1.339	50	20	DDGD	
COC(=O)[C@@H]1CCN(C(=O)/C(C#N)=C/c2cnn(C)c2)[C@H](C)C1	886370527	LGWCFOIUUZWJOB-VMKXVMSDSA-N	316.361	1.127	50	20	DDGD	
Cc1cc(NC(=O)COC(=O)/C(C#N)=C/c2ccccc2)n(C)n1	785347586	ZAZZAPJSLAUBAM-NTEUORMPSA-N	324.340	1.817	50	20	DDGD	
O=C(CCc1ccncc1)NNc1ccc(-n2ccnc2)nn1	788177867	MWAQFWNICMTAML-UHFFFAOYSA-N	309.333	1.133	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C/c1cccc(C(=O)N(C)C)c1	899341929	NASLZSAIFRISLS-DGGAMASNSA-N	315.373	1.446	50	20	DDGD	
CC(C)(Cc1ccccc1)C(=O)NNC(=O)C1CCOCC1	894102904	CGSJTDAWNREPAN-UHFFFAOYSA-N	304.390	1.829	50	20	DDGD	
C=CC(C)(C)CC(=O)NNC(=O)COc1ccc(C#N)cc1	899940573	QXQNJRRLNBSPFH-UHFFFAOYSA-N	301.346	1.687	50	20	DDGD	
CS(=O)(=O)Cc1cccc(C(=O)NNc2ccnc(F)c2)c1	781362489	IZGXYPPOUHIVSY-UHFFFAOYSA-N	323.349	1.522	50	20	DDGD	
Cc1cnc(C(=O)NNc2nc(-c3ccncc3)no2)c(C)c1	780461260	JNQKEHKIUVMPQV-UHFFFAOYSA-N	310.317	1.900	50	20	DDGD	
Cc1nc2ccccn2c1C=NNC(=O)c1ccc(O)c(O)c1	794558872	KBTUCGCGIYEQGD-UHFFFAOYSA-N	310.313	1.818	50	20	DDGD	
Cc1cccc2c1O[C@@H](C(=O)NNC(=S)NC(C)(C)C)C2	899997921	AUBPQFKFNUADNT-LLVKDONJSA-N	307.419	1.592	50	20	DDGD	
C=C(CBr)COC(=O)[C@]12CCC(=O)N1CCS2	795393316	KAHZLGFYTZSISB-LLVKDONJSA-N	320.208	1.546	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@H]1CC(c2ccccc2)=NO1	899991953	HGBGWSBZAQRXAW-LBPRGKRZSA-N	320.418	1.473	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ccnn1CC(F)F	790882577	PXZZVBRCXNVJCZ-UHFFFAOYSA-N	312.236	1.208	50	20	DDGD	
Cc1ccc(/C=C(\C#N)S(N)(=O)=O)cc1Br	799893780	KHBNRBDCHLVEQS-RUDMXATFSA-N	301.165	1.911	50	20	DDGD	
Cn1cc2c(n1)CCCC2=NNC(=O)CCc1ccccc1O	794507884	OWFMVBQEDUJPKW-UHFFFAOYSA-N	312.373	1.915	50	20	DDGD	
CCOc1cccc(NC(=O)C(=O)NNc2ncccc2C)c1	792378836	XYEDXOUCVXCKIP-UHFFFAOYSA-N	314.345	1.871	50	20	DDGD	
COc1coc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])cc1=O	799004522	DIJKYCMMRWQMRT-UHFFFAOYSA-N	323.236	1.453	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42	792777606	GNUFMYGYERHXIB-DMCWRTHBSA-N	304.390	1.936	50	20	DDGD	
CC(C)CCC(=O)NNc1ccccc1S(=O)(=O)N(C)C	795161828	QXVFOPQBTLWLCE-UHFFFAOYSA-N	313.423	1.816	50	20	DDGD	
Cc1cncc(CCC(=O)NNC(=O)Cc2ccccc2F)c1	794315977	PUXYLLHULKGICT-UHFFFAOYSA-N	315.348	1.852	50	20	DDGD	
CC[C@@H](C)CC[C@@H](O)CC(=O)NNc1ccc(C(=O)OC)cn1	793735930	RZUCOGYWDYVNLM-DGCLKSJQSA-N	323.393	1.889	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)C(=O)Nc1cccc(F)n1	793036711	OROKXTVUSZNEFX-UHFFFAOYSA-N	310.235	1.581	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)CCc1ccccc1O	795084172	CFASCZPPVACYMC-ABAIWWIYSA-N	308.378	1.533	50	20	DDGD	
CC(C)c1ncc(CN(C)C(=O)NNC(=O)C2CCCC2)cn1	799384662	HVQHGNOQTDBMFF-UHFFFAOYSA-N	319.409	1.963	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=C1CC(=O)N2CCCC[C@@H]12	799473966	SEXONTXLASQFDZ-ZFWWWQNUSA-N	320.437	1.365	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccnc(OCC(F)F)c1	1319517409	RMLCFGBXGZSTDN-UHFFFAOYSA-N	318.349	1.243	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)Nc1ccn(C2CCCCC2)n1	1328937888	XAIIVKPRRJNBRY-UHFFFAOYSA-N	317.353	1.578	50	20	DDGD	
CC(=O)N(CCc1ccccc1)CC(=O)NNc1ccncn1	1325250257	RJEPPLHDKYBCOG-UHFFFAOYSA-N	313.361	1.011	50	20	DDGD	
CC(C)CN(CC(=O)NNC(=O)c1ccc(F)cc1)C(C)C	1328604313	OAZKFQRYFUUIMP-UHFFFAOYSA-N	309.385	1.953	50	20	DDGD	
Cn1ccc(NNC(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)n1	1327551483	PGSXOHCZOGQSNX-JTQLQIEISA-N	321.381	1.120	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNC(=S)NC(C)C)cc1	1324722509	AIPKXMNAVOBGPU-UHFFFAOYSA-N	309.391	1.381	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1	1324487849	KWPAUHZXLRSKKJ-HBNTYKKESA-N	303.497	1.917	50	20	DDGD	
O=C(NNC(=O)[C@@]1(F)CCOC1)c1cccc2ccccc12	1326742543	RYNKLZYEEONRJP-MRXNPFEDSA-N	302.305	1.729	50	20	DDGD	
COCCn1cc(NC(=O)NNc2ccccn2)ccc1=O	1320734451	WMHXAOSCXVJTKQ-UHFFFAOYSA-N	303.322	1.038	50	20	DDGD	
COC(=O)N1CC(C)(NC(=O)/C(C#N)=C/c2ccc(F)cc2)C1	1337368373	OWCREGUXSQQTDY-KPKJPENVSA-N	317.320	1.690	50	20	DDGD	
CCOCCC(=O)NNC(=O)c1cncn1-c1ccccc1	1251586170	PLGNHYCBTVCVCK-UHFFFAOYSA-N	302.334	1.060	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2cncnc2C2CC2)n1	1334795878	RWZGWSCOHVEFFQ-UHFFFAOYSA-N	305.729	1.137	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1ccc(F)cc1F	1332471436	VVKBHJZUTVBGLP-AUTRQRHGSA-N	312.316	1.641	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2[C@@H](C)C2(F)F)c1	1347230427	VGYUCERESYZFDO-KCJUWKMLSA-N	309.341	1.887	50	20	DDGD	
O=C1CCC(=NNC(=O)c2ccc(Br)cc2)CCN1	1344437354	DYTDLYWOLGBTMP-UHFFFAOYSA-N	324.178	1.835	50	20	DDGD	
Cc1cc(C)c(C(=O)O)cc1C=NNC(=O)C[n+]1ccccc1	1261235260	MLEZLNKVIGUHCM-UHFFFAOYSA-O	312.349	1.439	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)C1(Oc2ccccc2)CC1	1261390609	MXLPXDPJDRAMJC-UHFFFAOYSA-N	317.267	1.491	50	20	DDGD	
C[C@@H]1CN2CCN1C[C@H]2C(=O)NNc1cc(Cl)ccc1F	1350145112	XEFXQVZHKJHWAN-RNCFNFMXSA-N	312.776	1.311	50	20	DDGD	
Cc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1C	1351034083	AIAGNIDGZVXSAQ-QCEMKRCNSA-N	316.401	1.979	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H]2[C@@H](C)C2(F)F)cn1	1521848137	QZHCLQVYCIABOR-MUWHJKNJSA-N	316.333	1.309	50	20	DDGD	
Cc1ncoc1C(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1600759051	PMZKISFBVOFEOB-UHFFFAOYSA-N	310.335	1.190	50	20	DDGD	
Cc1ccc(Br)c(NNC(=O)[C@@H](C)C(=O)O)c1	1605242868	JNIWNSMIHYSYBA-SSDOTTSWSA-N	301.140	1.921	50	20	DDGD	
O=C(NCCOC1CCOCC1)NNc1cccc(C(=O)O)c1	1601502956	ASZZHOARHKJQJV-UHFFFAOYSA-N	323.349	1.207	50	20	DDGD	
Cc1nc(C(=O)NNc2ccccc2F)ccc1-c1nn[nH]n1	1606030967	XWENYYFATOLFLE-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1	1609431937	SHPMDIZZKWJPJS-UHFFFAOYSA-N	301.285	1.399	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2nccnc2C2CCC2)[nH]1	1602324452	OEFPTVNTISSLRX-UHFFFAOYSA-N	301.306	1.527	50	20	DDGD	
O=C(NNc1cncc(Br)c1)[C@H]1C[C@H]1C(=O)O	1601561792	AKWPIUISOGAUPF-JGVFFNPUSA-N	300.112	1.008	50	20	DDGD	
CC(CCC(=O)O)=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1	1609737619	DQLQOJHWLJCRBN-RTXFEEFZSA-N	313.398	1.089	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@H]1CC[C@@H](CC(=O)O)C1	1603613268	WJCAJZAKUCPVKQ-ZJUUUORDSA-N	311.831	1.814	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CCCN2C2CC2)cc1C(=O)O	1610509617	MLIYXSICMDAINL-CQSZACIVSA-N	303.362	1.763	50	20	DDGD	
CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](Cl)COC	1802272495	BONDEWYOSNATDP-USZNOCQGSA-N	302.802	1.288	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)[C@H]2NCCc3occc32)nn1	1575276034	YGWJQUMIHWOZOT-AWEZNQCLSA-N	315.377	1.697	50	20	DDGD	
CC(C)n1cnc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1	1589783724	IZYMFMCHXDOAKC-UHFFFAOYSA-N	312.337	1.401	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)[C@@H]1NCC[C@@H]2CCCC[C@@H]21	1580740090	VTWRQHBHXWWGMC-OUJBWJOFSA-N	309.801	1.741	50	20	DDGD	
O=C(NNc1ncccc1C(F)(F)F)[C@H](F)[C@H]1CCNC1	1580742828	GRXCIJLOSYYGHG-IONNQARKSA-N	306.263	1.491	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)C1(C(F)(F)F)CCNCC1	1580505593	GUUMGFHYUSURIP-UHFFFAOYSA-N	321.343	1.646	50	20	DDGD	
C#CCO[C@@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1588358640	ZGAJZMYYPYWMGY-QMMMGPOBSA-N	320.740	1.002	50	20	DDGD	
CNC(=O)/C(C#N)=C\c1ccc(-c2nn[nH]n2)cc1C(F)(F)F	1591198120	GTOBABAKLSLTCB-WTKPLQERSA-N	322.250	1.538	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)C2CCCC2)C1	1842592139	KTWYCTAZHBTLHM-LLVKDONJSA-N	302.777	1.914	50	20	DDGD	
CN(CC(=O)O)C(=O)[C@]1(c2ccccc2)C[C@H]1Br	1598403933	YLFYNNAESLSJJN-MFKMUULPSA-N	312.163	1.635	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC(O)(C2(C(=O)O)CCC2)CC1	1596860259	IDHPPAZDILSVDA-QXMHVHEDSA-N	322.361	1.039	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@@]12CCC[C@@H]1C2	1593160739	NWWOZNWASNGUJL-AMIZOPFISA-N	319.756	1.548	50	20	DDGD	
CN(C)c1cc(C(=O)NN=C2CCC(CC(=O)O)CC2)ccn1	1598293395	WCIRPCSUGUZUOC-UHFFFAOYSA-N	318.377	1.898	50	20	DDGD	
O=C(O)CSCC(=O)NNc1cccc2c1OC(F)(F)O2	1595126956	YAGXJMPHTMLTAW-UHFFFAOYSA-N	320.273	1.269	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1ccccc1OCCC(=O)O	1777033787	RUIWOWUZQMSTCV-XFXZXTDPSA-N	324.358	1.296	50	20	DDGD	
Cn1cc([N+](=O)[O-])cc1C(=O)NNC(=O)c1ccccc1F	16305825	YAKABAWHJYVCJU-UHFFFAOYSA-N	306.253	1.147	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NOCCC(F)(F)F	158421426	QMKPEZUTOSYXLQ-UHFFFAOYSA-N	323.246	1.583	50	20	DDGD	
CC1(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)CC1	160944014	VMMBHTRBTHAFRB-UHFFFAOYSA-N	300.318	1.139	50	20	DDGD	
CCc1cccc(NC(=O)CNC(=O)NNc2ncccn2)c1	155156687	JYWBTDZKHZEZKB-UHFFFAOYSA-N	314.349	1.304	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccn(C)c(=O)c1	156206161	OEJUOEDMBXPBKU-UHFFFAOYSA-N	304.258	1.521	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNc1ncnc2nc[nH]c12	156259493	ZDMSJQFTWYUPJE-UHFFFAOYSA-N	302.725	1.692	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)c2occc2-c2ccccc2)nn1	154290338	HXEIYMOUWRKFGV-UHFFFAOYSA-N	323.312	1.592	50	20	DDGD	
Cc1ccc2oc(C(=O)NNc3ccc(C(N)=O)nn3)cc2c1	154324552	GUUDJOVZPCCTBJ-UHFFFAOYSA-N	311.301	1.387	50	20	DDGD	
CCN(CC)S(=O)(=O)CC(=O)NNc1c(F)cccc1F	156580674	QZXBVRZMYWNJBB-UHFFFAOYSA-N	321.349	1.080	50	20	DDGD	
Cn1nncc1CNS(=O)(=O)c1ccc(CCCl)cc1	394980046	AKHJWSVGQJWVFH-UHFFFAOYSA-N	314.798	1.075	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)c1cc(C)on1	6572551	RCRPYSPKOUQPGG-UHFFFAOYSA-N	306.347	1.623	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)nn1	106269468	FTIPNZGBAUUQED-NWDGAFQWSA-N	320.397	1.201	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CNc1ccccc1)N1[C@H](C)CC[C@H]1C	104830117	YLJXRKNVZMZRIN-MCIONIFRSA-N	318.421	1.507	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NC[C@H](C)N(C)C1CC1	105267438	XFZASFUYDLPXTC-LBPRGKRZSA-N	319.409	1.813	50	20	DDGD	
CCc1ccc(-c2nc(CC(=O)NNC(=O)NC)cs2)cc1	110660697	RBSPRRQVSXFARU-UHFFFAOYSA-N	318.402	1.875	50	20	DDGD	
O=C(Cc1cccc(Br)c1)NNc1cnccn1	114878389	LHNHAVYHVNXQEI-UHFFFAOYSA-N	307.151	1.925	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1ccc(OCC(C)C)cc1	29046454	CMNFLJCTWCYOIF-UHFFFAOYSA-N	302.352	1.271	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@@H]3CCOC3)cc2C1	66897726	KVHGZVJHMAWLGJ-NXEZZACHSA-N	308.403	1.670	50	20	DDGD	
Cc1nc(CC(=O)NNC(=S)NCC(F)(F)F)cs1	64080680	LXLUHCFAQVCFBV-UHFFFAOYSA-N	312.342	1.052	50	20	DDGD	
CCOc1ccc(NNC(=O)c2cc(CN(C)C)on2)cc1	1344001278	FOMXCFMNUGYGLE-UHFFFAOYSA-N	304.350	1.892	50	20	DDGD	
COc1cc(C)nc(NNC(=O)COc2ccc(Cl)cc2)n1	174482423	MGXOCWAIOVTOIX-UHFFFAOYSA-N	322.752	1.969	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C1=CCCCO1	173634326	XTQAQLCXTKMPSC-SNVBAGLBSA-N	308.309	1.435	50	20	DDGD	
CC(C)CC(=O)N1CCCC[C@@H]1C(=O)NN[C@H](C)C(F)(F)F	1347852573	TZAUEZBTZWCELI-GHMZBOCLSA-N	323.359	1.985	50	20	DDGD	
COc1ccccc1CCC(=O)NNC(=O)Cc1ccncc1	175785814	POZHETADQFVOHJ-UHFFFAOYSA-N	313.357	1.413	50	20	DDGD	
Cc1noc2ncc(C(=O)NNC(=O)NCc3ccco3)cc12	65176394	ZZHXBSOGRXATGI-UHFFFAOYSA-N	315.289	1.268	50	20	DDGD	
CCOc1cc(C=NNC(N)=O)cc(Br)c1OC	252447182	GWBGELVUFCQRGU-UHFFFAOYSA-N	316.155	1.859	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)C1[C@H]2CCC[C@H]12	186058011	UUNFCLZFUROICI-UWVGGRQHSA-N	324.402	1.588	50	20	DDGD	
Cc1cnn(CCC(=O)NNc2ccc(C(F)(F)F)nn2)c1	123861508	WAEBNBVIZUKTGA-UHFFFAOYSA-N	314.271	1.534	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2ccc(C#N)cc2)C[C@@H](C)O1	127544864	XUSKKVCPXXWZPP-PHIMTYICSA-N	302.334	1.022	50	20	DDGD	
CCc1[nH]c(C(=O)NNc2ccccn2)c(C)c1C(=O)OC	181252522	CPXMHAAMJVGIIZ-UHFFFAOYSA-N	302.334	1.824	50	20	DDGD	
O=S(=O)(CBr)N1CCO[C@@H](c2ccco2)C1	367781626	BHIHUGDXWDQRAQ-SECBINFHSA-N	310.169	1.335	50	20	DDGD	
C[C@@H](NC(=O)c1cccs1)C(=O)NNC(=O)c1ccccc1	71817588	OBMBHIPPEDROFS-SNVBAGLBSA-N	317.370	1.328	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCCC2)NNC(=O)[C@@H]1CCCO1	32258505	NBTYMTJHHVDJBV-HNNXBMFYSA-N	302.374	1.434	50	20	DDGD	
COCCCOCC(=O)NNc1nc(C(F)(F)F)cs1	182567184	LWANGIUDZRCKLS-UHFFFAOYSA-N	313.301	1.658	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2ccccc2OC)cc(=O)[nH]1	181734999	CVZBWUBRIOZPLR-UHFFFAOYSA-N	315.329	1.021	50	20	DDGD	
O=C(NCC1(C2CC2)CCC1)NNC(=O)c1ccccc1O	133227349	FQMLQUUEHPQAFW-UHFFFAOYSA-N	303.362	1.917	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@H](C)CN1CCN(C)CC1	185363211	MWDAEBWFRKXTGF-CYBMUJFWSA-N	323.416	1.396	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1	47757145	KYVQFVVLZXFVBB-UHFFFAOYSA-N	320.349	1.752	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Nc2cc(C)nn2C)cc1	194264677	MVOUCINCZHXXOG-UHFFFAOYSA-N	301.350	1.757	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cc2c(s1)CCC2	46916853	CBEMBOOMPXAMLP-UHFFFAOYSA-N	307.297	1.743	50	20	DDGD	
CN(CCNC(=O)NNC(=O)C(C)(C)C)Cc1ccccc1	193859817	IFSJBNMSWJUZMF-UHFFFAOYSA-N	306.410	1.495	50	20	DDGD	
COc1nccnc1NNC(=O)CCC(=O)c1ccc(C)cc1	131756358	PSRXLCHVOGQSMV-UHFFFAOYSA-N	314.345	1.900	50	20	DDGD	
COCCCN(CCO)C(=O)/C(C#N)=C\c1ccc(O)cc1	194888288	KOQFKJZMDCPVHK-KAMYIIQDSA-N	304.346	1.157	50	20	DDGD	
COCCOc1ccccc1C(=O)NNC(=O)c1ccc[nH]1	97026644	HWZYRRWSXOEEQX-UHFFFAOYSA-N	303.318	1.115	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)c2ccc(C#N)cc2)CCO1	144554818	WCRWIEBGOWRNNH-ZDUSSCGKSA-N	302.334	1.023	50	20	DDGD	
O=S(=O)(CCl)NCc1ccc(N2CCOCC2)c(F)c1	236203352	UETIQSAWITXPFE-UHFFFAOYSA-N	322.789	1.278	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NC[C@@H]1CCCN1C(=O)OC(C)(C)C	264413260	FYLGHTAWBVLMHL-XSNHNAGMSA-N	323.393	1.946	50	20	DDGD	
O=C(CS(=O)(=O)C1CCCC1)NNc1ccc(Cl)nc1	266576198	YXGCFFGUDGAJHX-UHFFFAOYSA-N	317.798	1.536	50	20	DDGD	
CC(C)(C)OC(=O)NC1(C(=O)NNC(=O)c2ccccc2)CC1	268440775	LWKWGKYBGXWGNF-UHFFFAOYSA-N	319.361	1.505	50	20	DDGD	
C[C@@]1(CCCC(=O)NNc2ccc(F)cc2)NC(=O)NC1=O	269646851	HUBDQLKUWBYNHQ-AWEZNQCLSA-N	308.313	1.037	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1ccc2c(c1)OCCO2	264079933	NXGIIVPGXFPWGV-UHFFFAOYSA-N	321.377	1.724	50	20	DDGD	
Cc1noc(CCCNC(=O)NNC(=O)c2ccc(C)s2)n1	263880270	SCCPHGGAMVFTKY-UHFFFAOYSA-N	323.378	1.325	50	20	DDGD	
CC(C)OCCCCNC(=O)NNC(=O)c1ccccc1F	272925222	GLOLEXHFNJDPFS-UHFFFAOYSA-N	311.357	1.975	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cc2c(cn1)OCCC2)C1CC1	367782993	JNLRUSHLNLQOQA-SECBINFHSA-N	320.418	1.314	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H]1CCC(=O)[C@@H](C)C1(C)C	275492214	FZJNJRZYZSDFAB-NXEZZACHSA-N	306.366	1.570	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)CCCC(C)=O)cc1	276541906	FEGFGELKFFEGDD-UHFFFAOYSA-N	307.350	1.014	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCCCC2)c1cncnc1	273991874	RRONBVVNWRETBU-UHFFFAOYSA-N	316.386	1.882	50	20	DDGD	
COCCCC(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	278637005	YKKCAXVDYPCOHY-JTQLQIEISA-N	314.769	1.681	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc(N2CCOC2=O)cc1	271524143	XDRTVBIJRNZYIL-UHFFFAOYSA-N	320.349	1.842	50	20	DDGD	
CCC(C)(C)N[C@H](C)C(=O)NNC(=O)CNc1ccc(C)cc1	273240098	UAQTWYIMRIMSFL-CYBMUJFWSA-N	320.437	1.721	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)c2cccc3ncccc23)CCO1	272070697	LJZWXTRWFDCZBT-NWDGAFQWSA-N	313.357	1.811	50	20	DDGD	
O=C1O[C@@H](C(=O)NNc2cccc(F)n2)Cc2ccccc21	367748845	UISYFZLVODUEER-LLVKDONJSA-N	301.277	1.446	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)CBr)c2ccccc2O1	272819225	OSAKJYZQVUKQOH-MRVPVSSYSA-N	306.181	1.956	50	20	DDGD	
CSc1cc(C(=O)NNC(=O)N2CCOCC2)ccc1F	270914366	CYRZOULXHANNJR-UHFFFAOYSA-N	313.354	1.234	50	20	DDGD	
CCOCc1cccc(NC(=O)C(=O)NNC(=O)CC2CC2)c1	274063336	MCIDSMXTSRALEF-UHFFFAOYSA-N	319.361	1.109	50	20	DDGD	
CC(C)[C@H]1C[C@@H](CC(=O)NNC(=O)c2ccncc2)CCO1	272920737	AXVBAGBUQNKHGU-GXTWGEPZSA-N	305.378	1.684	50	20	DDGD	
O=C(CN1CCCCC1=O)NNc1cccc(F)c1[N+](=O)[O-]	279167255	AVARAEQBEZOWDR-UHFFFAOYSA-N	310.285	1.190	50	20	DDGD	
CSc1nc(C)c(CCC(=O)NNC(=O)CC(C)C)c(C)n1	278956020	LWGWBWBSBMIGGA-UHFFFAOYSA-N	324.450	1.941	50	20	DDGD	
CC(C)OCCCC(=O)NNC(=O)COc1ccc(C#N)cc1	273053025	KVJATAQVYFCACV-UHFFFAOYSA-N	319.361	1.290	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@H]1O[C@H](C)C[C@@H]1C	282765862	UNJZNNQHWJEYBK-FIXISWKDSA-N	322.361	1.035	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](N)c2ccc(C)cc2)n1	280508263	FJAKSIUEGZWTFJ-ZDUSSCGKSA-N	301.350	1.245	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Nc1ccccc1)N(C)CC(F)(F)F	283675636	GSIUDUGYIVZNLL-SECBINFHSA-N	318.299	1.722	50	20	DDGD	
COCCN(C)NC(=O)c1cccc(Br)c1F	297158494	SGZFEVYGLVJXHK-UHFFFAOYSA-N	305.147	1.811	50	20	DDGD	
O=C(NNC(=O)[C@@H](c1ccccc1)C1CC1)[C@@H]1CCCCO1	295651059	UZEJOTDMYIUUKP-GJZGRUSLSA-N	302.374	1.897	50	20	DDGD	
CC(C)NC(=O)CN(C)CC(=O)OC[C@@H](C)CBr	803696496	PBUYRWFOILFJRA-JTQLQIEISA-N	323.231	1.017	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2c(F)ccc(O)c2F)n1	809753023	LXIPBSMNALEKEI-UHFFFAOYSA-N	315.667	1.453	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNc1cccc(C(=O)OC)c1	290494708	OTGFOQLNLQIDKR-JTQLQIEISA-N	308.334	1.506	50	20	DDGD	
Cn1nncc1CNC(=O)NNC(=O)c1cccc2ccccc12	807612689	SGWUWSSYFNTIKG-UHFFFAOYSA-N	324.344	1.113	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCCCC1)c1cn(C)c(C)n1	800808435	KLGPTCRQYHNWPQ-LBPRGKRZSA-N	305.426	1.691	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)[C@@H]1CCCO1)c1ccc(F)cc1	292069493	XBLGDDJSORCHAY-MFKMUULPSA-N	309.341	1.439	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)CC2CC2)Cc2ccccc2C(=O)O1	294037338	DRBDBCBSBYXJMW-MRXNPFEDSA-N	302.330	1.106	50	20	DDGD	
O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NNC(=O)CC1CC1	294201814	PLFQVJGVHZFFRG-UHFFFAOYSA-N	311.725	1.738	50	20	DDGD	
CC(=O)Nc1ccc(O)c(C(=O)NNc2cccc(F)n2)c1	804773737	NAYKNXCAJUXAOU-UHFFFAOYSA-N	304.281	1.642	50	20	DDGD	
COc1cc(C(=O)NNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-]	299586656	KEVGWBBXZTXAGL-UHFFFAOYSA-N	311.294	1.773	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CSCC2CC2)cc1OC	291502941	JCDNOOMVTWJQGQ-UHFFFAOYSA-N	324.402	1.608	50	20	DDGD	
CC[C@H](C)NC(=O)[C@H](C)NC(=O)NNc1cccc(Cl)n1	292866895	BOUAGVDRRZBHPV-IUCAKERBSA-N	313.789	1.664	50	20	DDGD	
CCCCS[C@@H](C)C(=O)NNC(=O)Cn1nc(C)cc1C	299076677	VRBNBEHPFQFBBB-LBPRGKRZSA-N	312.439	1.569	50	20	DDGD	
CCOC1CC(CC(=O)NNc2ccc(-n3ccnc3)nn2)C1	804955424	NMFISTKLUDFGMS-UHFFFAOYSA-N	316.365	1.311	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)N[C@@H]1CCc2c(O)cccc21	298034524	SSRXZGOYLBMSGV-TZMCWYRMSA-N	319.361	1.279	50	20	DDGD	
COCCN(C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C	297073283	LQRSULUJJUKBNV-UHFFFAOYSA-N	312.282	1.034	50	20	DDGD	
O=C(NCCc1ccc2c[nH]nc2c1)NNC(=O)C1CCC1	807243880	JUIQGVOFFFBFAD-UHFFFAOYSA-N	301.350	1.236	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1cccc(-n2ccnn2)c1	807961754	CSKZTWSYGZYIFT-UHFFFAOYSA-N	307.317	1.211	50	20	DDGD	
O=C(CC[C@H]1CCCO1)NNC(=O)COc1ccccc1F	298264925	AIOKPFMVQIXMLU-LLVKDONJSA-N	310.325	1.311	50	20	DDGD	
O=C(NNC(=O)C(F)(F)c1c(F)cccc1F)[C@@H]1CCCO1	294474317	BDVQCGCQRVQEEB-VIFPVBQESA-N	320.242	1.383	50	20	DDGD	
CC(C)[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2)CCCO1	293135656	NEIDSRSLECSAIS-HNNXBMFYSA-N	319.405	1.195	50	20	DDGD	
COCc1nc(CNC(=O)NNC(=O)c2ccc(C)o2)cs1	291300177	UDANMCSDMNVRKW-UHFFFAOYSA-N	324.362	1.335	50	20	DDGD	
N#CSCCCNC(=O)c1[nH]cnc1C(=O)c1ccccc1	816539020	PBMDEYMWVYZMSP-UHFFFAOYSA-N	314.370	1.975	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCC[C@@H](n2ccnn2)C1	819905295	YUYSEGFZBQUEIW-LLVKDONJSA-N	306.819	1.264	50	20	DDGD	
CN(C)CC(=O)NN=C1CCc2cc(Br)ccc21	814832058	CSYIBHWNNCLZTG-UHFFFAOYSA-N	310.195	1.777	50	20	DDGD	
C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NNC(=O)CC1CC1	819105122	YFAQCZCARCQYDN-LLVKDONJSA-N	302.374	1.890	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1cc(-c2cccc(Cl)c2)no1	816632567	OVCRYCJVIDIBBP-UHFFFAOYSA-N	304.697	1.870	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H]2CC(=O)N(C)C2)c1	819037872	ZCQXGEUNRBJGCI-NSHDSACASA-N	320.418	1.099	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)c2cncc(NC(C)=O)c2)C1	819809009	LNQBVATVELBQRT-UHFFFAOYSA-N	318.333	1.099	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC2CC2)ccc1N1CCNC1=O	819114851	SUERHHQLYYHNGG-UHFFFAOYSA-N	316.361	1.086	50	20	DDGD	
CC(=NNC(=O)CSc1ccccc1O)c1ccnn1C	814970621	WKDFUMAYOPFFES-UHFFFAOYSA-N	304.375	1.758	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NNc1cccc(F)c1C(=O)OC	819710306	FVNGZWCQFZCEAQ-CMDGGOBGSA-N	307.281	1.499	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)c2cccnc2)cc1	812732557	LIOFTAPQMVZVTM-UHFFFAOYSA-N	320.374	1.089	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1cccc(-n2cnnc2)c1	814852964	VXWZCYITKGOHEE-UHFFFAOYSA-N	309.333	1.155	50	20	DDGD	
COc1ccc(F)cc1C=NNC(=O)[C@@H](C)CN1CCOCC1	812225403	YIMVXBHRJZZMQB-LBPRGKRZSA-N	323.368	1.253	50	20	DDGD	
O=C(CCOc1ccccc1)NN=C1CCN(CCO)CC1	819807319	ONFHCJVPQAGCJI-UHFFFAOYSA-N	305.378	1.016	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(-c2ccc(F)cc2)n1C	821217887	QPXSOIMSUFCXEO-LLVKDONJSA-N	305.353	1.789	50	20	DDGD	
Cc1cscc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	826320798	FEPJGCNKVITTBP-UHFFFAOYSA-N	300.347	1.994	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccc1	827249036	FZNASWAHODGANU-KBPBESRZSA-N	301.346	1.260	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C1(C)CC(F)(F)C1	823010036	CQKADKLEHDSJPR-UHFFFAOYSA-N	312.316	1.821	50	20	DDGD	
Cc1ccc(CN(C)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1C	827258724	DGRDRAZPEBKJQG-DZGCQCFKSA-N	319.405	1.901	50	20	DDGD	
CCCCNC(=O)NNC(=S)Nc1ccc(C(N)=O)cc1	726481328	ZTCJVBSBNHYMJB-UHFFFAOYSA-N	309.395	1.086	50	20	DDGD	
CCCNc1nnc(SCC(=O)NNC(=O)C(C)C)s1	828846422	FHJXPHUTQQDFPO-UHFFFAOYSA-N	317.440	1.256	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@@H](C)c1cccc(-c2nn[nH]n2)c1	821314673	NFCCXYANLDVVBB-AVMBBCFPSA-N	312.333	1.488	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c2ncccc12	823475085	NVIBUDAVQDCLCB-WCQYABFASA-N	313.357	1.729	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCC(=O)Nc1cccnc1	490877045	LEZKAXBVYMLGKH-JYRVWZFOSA-N	324.315	1.883	50	20	DDGD	
C[C@H](CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1CC1	824384482	COROXMUWVXXFNY-SSDOTTSWSA-N	321.772	1.794	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NN=CC[C@H]1CCOC1	494044362	PCQOSUJKSNLSMG-LBPRGKRZSA-N	313.398	1.820	50	20	DDGD	
O=C(NNc1cccc(F)c1)c1cc(-c2nn[nH]n2)cs1	826449581	ZOUOTYZUVYSCJQ-UHFFFAOYSA-N	304.310	1.824	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC(C)(C)CN2CCCC2)cn1	491176574	QHOUJTURNZOBRK-RIYZIHGNSA-N	301.394	1.318	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CCN(c3ccccc3)C2)nc(N)n1	828371581	LBYHBOVSNVFSBV-GFCCVEGCSA-N	312.377	1.337	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cc2n(n1)CCCC2	827168853	AOCHFUXTYATELQ-UHFFFAOYSA-N	301.306	1.885	50	20	DDGD	
CC(C)COC(=O)N1CCC(=NNC(=O)c2cnccn2)CC1	495658093	NPOPKEKJWVKZKX-UHFFFAOYSA-N	319.365	1.451	50	20	DDGD	
CCNc1nc(C(=O)NNC(=O)NCc2ccco2)cs1	823799665	RSSSMBATQWJONG-UHFFFAOYSA-N	309.351	1.312	50	20	DDGD	
O=CNc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1	826483923	GFCJGZZUROODLX-UHFFFAOYSA-N	323.316	1.192	50	20	DDGD	
CN(NC(=O)Cn1nc(-c2ccccc2)oc1=O)c1ccccc1	726545887	CUSUYFYXDBEGSE-UHFFFAOYSA-N	324.340	1.671	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cccc(C)n2)c1OC	728823933	ZHQVWAUJEHTAIO-UHFFFAOYSA-N	315.329	1.482	50	20	DDGD	
C[C@H](CNC(=O)NNc1ccncn1)CNC(=O)OC(C)(C)C	495919097	BEBMWFLSMDLBDA-SNVBAGLBSA-N	324.385	1.264	50	20	DDGD	
C[C@@H]1CCc2ccccc2[C@@H]1NCc1ccc(B(O)O)cc1F	585035530	UTWWAQOHWYDSPK-KZULUSFZSA-N	313.181	1.919	50	20	DDGD	
CCNC(=O)NNC(=S)Nc1ccc(OC)c(Cl)c1	726904683	WRNIEQOLZGSLBA-UHFFFAOYSA-N	302.787	1.869	50	20	DDGD	
CC[C@H](C)CCNC(=O)NNC(=O)COc1ccc(C#N)cc1	820873514	QXBLXSSENLFTCF-LBPRGKRZSA-N	318.377	1.704	50	20	DDGD	
CCN(CCO)NC(=O)Cn1nc(C(F)F)cc1C(F)F	823377665	WQJCGFVHMHEMRQ-UHFFFAOYSA-N	312.267	1.104	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@]1(Cl)C[C@H]2CC[C@H]1O2	905054304	RWOFPIKJJWVYBW-DYLAAIIWSA-N	311.725	1.967	50	20	DDGD	
C[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)[C@@H]2CCCC[C@H]12	584929592	SKSRRXYACCDCTH-AXAPSJFSSA-N	319.185	1.546	50	20	DDGD	
CC(C)CC[C@@H]1CCCN1C(=O)c1cc(B(O)O)ccc1F	584962459	GMOOEGGHCBXLKI-ZDUSSCGKSA-N	307.174	1.546	50	20	DDGD	
Cc1csc(C(=O)NN(C)[C@H](C)CO)c1Br	823928667	QEULYLVWPMLDBO-SSDOTTSWSA-N	307.213	1.776	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H](c1ccccc1)N1CCCCC1=O	823855734	DPRYREGXCKCILG-MRXNPFEDSA-N	319.405	1.086	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCN(C3CCCCC3)C2)c(F)c1	585046741	BKHJCUJYHAIWNU-OAHLLOKOSA-N	320.217	1.002	50	20	DDGD	
CC[C@@H](NCc1ccc(B(O)O)cc1F)c1ccc(OC)cc1	585016695	WCBOSEHXOAOQDZ-QGZVFWFLSA-N	317.169	1.755	50	20	DDGD	
COCCCNC(=O)NN=Cc1c[nH]c2ccc(OC)cc12	730145848	SSKJJPHHFLRYDM-UHFFFAOYSA-N	304.350	1.846	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H]2Br)CC[S@](=O)C1	907748318	BHZRGOIVJOZCFW-YSFUZLLDSA-N	308.241	1.387	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)Cc1ccc(F)cc1)c1cnn(C)c1	839473458	GGCFNIJONTTYLX-LLVKDONJSA-N	318.352	1.443	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1ccc2c(c1)OCCO2	735413299	JVXXLAOOEGWPRW-UHFFFAOYSA-N	300.318	1.345	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@@H]1CCC[C@@H]1c1ccccc1	838646701	VYKNFDYOOYUMJY-LSDHHAIUSA-N	319.405	1.937	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)ccc1F	909278302	WWSJMIHZYUQELQ-BZHVJNSISA-N	306.293	1.281	50	20	DDGD	
O=C(C[C@H]1CCC(=O)N1)NNc1cc(C(F)(F)F)ccc1F	831118848	FMGNVFIRRIBTCR-MRVPVSSYSA-N	319.258	1.956	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@H](C)c1ccn(C)n1	838771914	AOZOVRUAWZWQTH-GFCCVEGCSA-N	315.377	1.363	50	20	DDGD	
O=C(NNc1c(F)cccc1F)c1ccnc(-n2cncn2)c1	735694259	JUKPVWLZDGVUNI-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
CC[C@H](C)N(C(=O)COc1ccc(B(O)O)cc1)[C@H](C)CC	584910268	YJCVWNDDUHZHAX-BETUJISGSA-N	307.199	1.171	50	20	DDGD	
O=C(CCCNS(=O)(=O)CCl)N1CCc2ccccc21	830467356	KFIUYBYMJVLXEQ-UHFFFAOYSA-N	316.810	1.472	50	20	DDGD	
CN1CCO[C@H](C(=O)NNc2cccc(Cl)c2Cl)C1	838349423	QWSIBHIZDSIYAH-JTQLQIEISA-N	304.177	1.767	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)COc1ccc(F)cc1	834929451	CFRQQJXZOJRXNT-UHFFFAOYSA-N	305.313	1.275	50	20	DDGD	
CCCOc1ccc(CNC(=O)NNC(=O)C2CCCC2)cn1	730907625	GVJQPVACKBCVBT-UHFFFAOYSA-N	320.393	1.891	50	20	DDGD	
CCOc1ncccc1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	831248616	KCZOKALGNXAJSL-UWVGGRQHSA-N	308.338	1.058	50	20	DDGD	
C[C@@]1(c2cccs2)C[C@H]1CNC(=O)c1ccc(B(O)O)cc1	584944777	NAVUGONIMNVEES-BLLLJJGKSA-N	315.203	1.136	50	20	DDGD	
O=C(NCCCOc1ccccc1F)NNC(=O)C1CCC1	732237290	AEKFVIHLSQFHSJ-UHFFFAOYSA-N	309.341	1.725	50	20	DDGD	
COc1ccnc(NNC(=O)COc2cccc(C(C)=O)c2)n1	914763093	MAHTWEHQMCLWOS-UHFFFAOYSA-N	316.317	1.210	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2[C@H]3CCC[C@H]32)c1	748839198	VZIQKMSYBSFBHE-WDNDVIMCSA-N	304.346	1.511	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1cc(C)c(F)c(C)c1	742028569	SWOQZVQBIHAGOF-UHFFFAOYSA-N	303.359	1.345	50	20	DDGD	
NS(=O)(=O)c1cc(C(=O)NNc2ccc(F)cc2)cs1	748219026	JRZLUIFKJJLUTN-UHFFFAOYSA-N	315.351	1.292	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1nc2ccccc2s1	833778944	LMZWUVULKADAFT-SNVBAGLBSA-N	305.359	1.626	50	20	DDGD	
O=C(NCC(F)(F)F)NN=C1CCN(c2ccccn2)CC1	917552695	WJAIJEPYVBNILZ-UHFFFAOYSA-N	315.299	1.899	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)C(C)(C)C)c1cnccn1	748382238	INLNKQUFVORMJT-UHFFFAOYSA-N	305.382	1.259	50	20	DDGD	
CC(C)(CNC(=O)NNc1nc2ccccn2n1)OCC1CC1	840428408	QAFYDQUBCMKJCC-UHFFFAOYSA-N	318.381	1.561	50	20	DDGD	
CC(C)(C)OC(=O)[C@]1(C(=O)NNC(=O)C2CC2)CC=CCC1	845077064	SICVUNVVJIPCHJ-MRXNPFEDSA-N	308.378	1.612	50	20	DDGD	
CC1(C)[C@H](NC(=O)NNc2cccc(C#N)c2)[C@@H]2CCO[C@H]21	741426093	PWNINAKWHCJGGB-BFHYXJOUSA-N	300.362	1.998	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1ccc(/C=C/C(=O)OC)o1	848638100	BYGCRCJJLKRKBC-AOQSKOSGSA-N	318.329	1.525	50	20	DDGD	
COc1cc(C(=O)NN)c([N+](=O)[O-])cc1OCc1cscn1	919885006	VSLXFZPEJDNMRM-UHFFFAOYSA-N	324.318	1.242	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1csc([N+](=O)[O-])c1	748253638	POGVLMQQYXVHDJ-QMMMGPOBSA-N	301.324	1.158	50	20	DDGD	
O=C(CCCOc1cccc(F)c1)NNC(=O)c1ccccn1	918280487	PQGUAWUQCOXMMK-UHFFFAOYSA-N	317.320	1.841	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C2CCC2)c(C#N)cc1N(C)C	841713252	NYYVZNIHQJAVNY-UHFFFAOYSA-N	315.377	1.886	50	20	DDGD	
CC(C)Cn1nccc1C(=O)NNC(=O)CNc1ccccc1	844129275	WRMHCFQFYNKJPF-UHFFFAOYSA-N	315.377	1.412	50	20	DDGD	
Cc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843641010	FCHLWENFDYIHOU-UWVGGRQHSA-N	307.306	1.089	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNc1ccc(-n2ccnc2)nn1	841436389	QPTNYHZIIPJBLZ-LLVKDONJSA-N	304.354	1.167	50	20	DDGD	
O=C(CCCn1ccnc1)NNC(=O)CCc1ccccc1	749801362	VAFVZCMUHKBWOT-UHFFFAOYSA-N	300.362	1.444	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)CCc1ccc(F)cc1	849307426	UGJSCIWDDPKKAX-UHFFFAOYSA-N	316.398	1.755	50	20	DDGD	
O=C(NCCCNC1CC1)NNc1cc(F)c(F)c(F)c1	841917211	BNIIKAQQEUXXKB-UHFFFAOYSA-N	302.300	1.872	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(N(C)C)c2)c(C)[nH]1	914749996	HABHVXGVLBTFII-UHFFFAOYSA-N	300.362	1.772	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1c[nH]nc1-c1ccsc1	843971094	ORCBWSPQEYMTOQ-WCBMZHEXSA-N	320.374	1.324	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(F)cc(Cl)c1	843654588	SBXAGWUFSOTSPR-CPCISQLKSA-N	300.717	1.665	50	20	DDGD	
C[C@@H]1CN(C[C@@H](C)C(=O)NN=Cc2cccn2C)C[C@@H](C)O1	916365822	KVBQZHQQLQDWBB-MGPQQGTHSA-N	306.410	1.221	50	20	DDGD	
CC(C)C(=O)NNC(=O)CSC1CCC2(CC1)OCCO2	849941299	SXWHBEDKQZSMIG-UHFFFAOYSA-N	316.423	1.209	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1C	843654736	SERKSGYTHNCGDZ-NWDGAFQWSA-N	308.382	1.178	50	20	DDGD	
COc1cc(CC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)ccc1C	843643020	LDRRISHZBRLMEO-DGCLKSJQSA-N	306.362	1.119	50	20	DDGD	
O=C1Nc2cc(O)c(Br)cc2C1=NNC(=O)C1CC1	841604019	KBOBBPCDEDAMOS-UHFFFAOYSA-N	324.134	1.337	50	20	DDGD	
CCN[C@H](C)CNC(=O)NNc1ccc(F)c(C(=O)OC)c1	841984732	GZGGXSBCNUBCMQ-SECBINFHSA-N	312.345	1.236	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=S)NCC1CC1	849253046	SUBDNNRJQSQVBY-UHFFFAOYSA-N	302.403	1.616	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)c2ccccn2)c1	742031492	KBDJSFMHRBXGLM-UHFFFAOYSA-N	300.274	1.373	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@@H](CC(C)C)OC)c1	842225257	HMUNKANTYJGCAA-CQSZACIVSA-N	323.393	1.316	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NC[C@@H](C)C1CC1	920054250	NSGMQJPACIJJDZ-MNOVXSKESA-N	323.368	1.970	50	20	DDGD	
CC(=O)N1CC[C@@H](NC(=O)c2c(C)nn(CCCl)c2C)C1	857411919	XQHZXKGZHYAKNI-GFCCVEGCSA-N	312.801	1.089	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	758830088	NXXUJMJIZQMWBD-UHFFFAOYSA-N	324.377	1.528	50	20	DDGD	
Cc1ncsc1CCNC(=O)NNc1ncc(Cl)cn1	856911452	SRPXJSAJRPAGNC-UHFFFAOYSA-N	312.786	1.764	50	20	DDGD	
O=C1CC[C@@H](C(=O)OC[C@H](CBr)C2CC2)CN1	859509667	YLZXMBRNCJUTHZ-ZJUUUORDSA-N	304.184	1.477	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccncc1Cl	854282634	OHLYAZUWZUZYGG-UHFFFAOYSA-N	316.814	1.223	50	20	DDGD	
Cc1ccc([C@H](C)N(C)C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1	858693878	AZRSYLNQJVCBPY-WCQYABFASA-N	318.377	1.007	50	20	DDGD	
CC(C)CCO[C@@H](C)C(=O)NNC(=S)N[C@@H](C)C1CC1	855103822	ZXHBXQAVDBAEIY-QWRGUYRKSA-N	301.456	1.731	50	20	DDGD	
CC(=O)N1CC(C(=O)NNc2nc3ccc(Cl)cc3s2)C1	856235462	YZKQJKMFQFYLKL-UHFFFAOYSA-N	324.793	1.871	50	20	DDGD	
COc1cncc(C=NNC(=O)[C@H](C)CN2CCCCC2)c1	853278727	HCLWGFNEBUVJRP-CYBMUJFWSA-N	304.394	1.662	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)[nH]1	856757790	NQJBZEAZHLIZNC-SECBINFHSA-N	320.324	1.394	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)Cn2cncn2)c(OC)c1	853304687	WXYMUKRRHVPBMN-UHFFFAOYSA-N	303.322	1.101	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1	929241914	GYXWSQHOIDZGRO-NWDGAFQWSA-N	320.374	1.380	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1ccc(Cn2cccn2)cc1	756237663	JMDVNVWCZNTZFH-UHFFFAOYSA-N	324.344	1.726	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=C1CN(C)C[C@@H]1C	752163638	JBKUYIBTRUCIJE-LBPRGKRZSA-N	313.405	1.652	50	20	DDGD	
O=C(NCCn1ccnc1)NNC(=O)c1ccc2ccccc2c1	921251867	CDYCYORJQAAUHH-UHFFFAOYSA-N	323.356	1.681	50	20	DDGD	
CCCc1c(C(=O)NNc2cnnn2C)cnn1C1CCCC1	857273024	LNJYFXYFJKBOGJ-UHFFFAOYSA-N	317.397	1.836	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc2c(c1)CCO2)C1CC1	751616137	FUHOABWLJSLBDT-VIFPVBQESA-N	305.403	1.529	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1scnc1Cl	855092231	WFWNOIIKNWMIPC-UHFFFAOYSA-N	304.828	1.706	50	20	DDGD	
COC(=O)c1ccc(F)c(NC(=O)NNC(=O)C2CCCC2)c1	755848363	WUPPTJVPCFSDOJ-UHFFFAOYSA-N	323.324	1.955	50	20	DDGD	
CCn1nccc1NC(=O)NNC(=O)c1ccc(Cl)nc1	757903513	WKOMBBUKGLMJFU-UHFFFAOYSA-N	308.729	1.418	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)co1	753642432	DHWGRBARNZQLDY-UHFFFAOYSA-N	317.301	1.083	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=S)NC[C@H]1CCCCO1	758185973	WAENWUZAMPVOIK-CYBMUJFWSA-N	322.434	1.163	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1nc(C)cs1	755504860	MNEWKMIXAWMOHX-UHFFFAOYSA-N	305.359	1.989	50	20	DDGD	
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)c2ccccc2F)C1	852286893	PORJQPJGCXCHDY-NSHDSACASA-N	322.384	1.643	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCc1ccc(C#N)cn1	867150614	YWXLFXZITLSQQL-UHFFFAOYSA-N	301.799	1.638	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)/C=C\[C@H]1CCOC1	862289063	LQCLBLOWGOHWPU-DANTVBBOSA-N	304.346	1.879	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cccc2ncccc12)C1CCC1	863866549	MDANGHBINBLKRH-UHFFFAOYSA-N	312.373	1.480	50	20	DDGD	
COc1ccc2c(c1)[C@H](C(=O)NNC(=O)c1ccncc1)CC2	761386262	PUFBYUXYQHNDGG-CQSZACIVSA-N	311.341	1.581	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cn[nH]c2)cc1C1CC1	862470438	PMALLTYMYQZADD-UHFFFAOYSA-N	300.318	1.371	50	20	DDGD	
Cc1cc(CCC(=O)NNC(=O)Cc2ccccc2F)no1	932376026	DUQUOCWWHHHWBZ-UHFFFAOYSA-N	305.309	1.445	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H](C(=O)NN[C@@H](C)C(F)(F)F)C2	862310120	YYYYHVMBPMMKPI-WPRPVWTQSA-N	318.295	1.818	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C(C)(C)OCC)cc1OC	864509946	SXLSBWKMWOBZIK-UHFFFAOYSA-N	324.377	1.670	50	20	DDGD	
OB(O)c1ccccc1CN[C@H]1CCc2ccc(Cl)cc21	863892076	LRTZLVMBEYUTMA-INIZCTEOSA-N	301.582	1.797	50	20	DDGD	
O=C(NN=C1CC[C@H]1c1ccccc1)N[C@H]1CCS(=O)(=O)C1	769780838	SNKZVUKAHZFUON-STQMWFEESA-N	321.402	1.406	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cccnc2N)cc1OC	764655592	XCVUCRBNYIYQHO-UHFFFAOYSA-N	300.318	1.445	50	20	DDGD	
C[C@H]1C[C@H](NS(=O)(=O)CC(C)(C)CCl)CN1C1CC1	866943575	JLQBHHDZCQGDHM-QWRGUYRKSA-N	308.875	1.796	50	20	DDGD	
COc1ccc(-n2cc(O)c(C(=O)N3CC=C(C#N)CC3)n2)cc1	760002591	ACBWLVZURRXTMY-UHFFFAOYSA-N	324.340	1.882	50	20	DDGD	
CCC[C@H](O)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	935025853	ZRLMJQNDSQIRDT-JTQLQIEISA-N	322.333	1.287	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1c(OC)cc(F)cc1OC	865213487	AQHIRMQVBUKKNW-POHAHGRESA-N	309.293	1.939	50	20	DDGD	
CC(C)c1cccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1	860307806	RGWVQTSGCSNVAE-GFCCVEGCSA-N	304.350	1.241	50	20	DDGD	
C#Cc1ccc(C(=O)NNc2ccc(OC)cc2[N+](=O)[O-])cn1	768338880	OOUBGNJXWSRCJP-UHFFFAOYSA-N	312.285	1.737	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1ccc(O)c(Cl)c1	768775802	HAUNYBRVRRMBAM-JTQLQIEISA-N	314.769	1.937	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1cccc2ccncc12	761063190	CSUBFKVCKLDCNG-UHFFFAOYSA-N	314.345	1.367	50	20	DDGD	
CC(C)n1cc(CNS(=O)(=O)CC(C)(C)CCl)nn1	867480934	ZLXKNKHPCXIGDW-UHFFFAOYSA-N	308.835	1.543	50	20	DDGD	
O=C(/C=C/CCc1ccccc1)NNC(=O)[C@@H]1CCCCO1	868619580	PHYSDIZGBSJOQN-LYOQKUPSSA-N	302.374	1.892	50	20	DDGD	
CCCCC(=O)N1CSC[C@@H]1C(=O)NNc1cccc(C)n1	862523288	XKFCMZDONUNKAA-GFCCVEGCSA-N	322.434	1.925	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1ccncc1)c1ccc(F)cc1F	1116185653	QFENLYUOYNWTLV-SNVBAGLBSA-N	319.311	1.853	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H](C)COc2ccccc2)cc[nH]1	875125420	NOEJZISHQQFQSL-ZDUSSCGKSA-N	300.362	1.906	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNC(=O)CC2CC2)cc1F	764142431	FRZDNVFKRFMOOV-UHFFFAOYSA-N	323.324	1.110	50	20	DDGD	
CC(=NNC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccnn1C	765995657	WYSNQHCNXFOKNY-NSHDSACASA-N	304.325	1.867	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCSC1	761803799	FVNJAFIXFAXBGX-NXEZZACHSA-N	312.366	1.494	50	20	DDGD	
N[C@@H]1CCCC[C@@H]1C(=O)NNc1ncc(Br)cn1	1118384122	GFSBYQXXGGATDK-DTWKUNHWSA-N	314.187	1.200	50	20	DDGD	
CS[C@@H](C)CCC(=O)NNC(=O)c1ccc2c(c1)OCCO2	773211761	VUTHTEDEHQMSPC-JTQLQIEISA-N	324.402	1.751	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C[C@H](C)COC)nc1C	778428524	NHNRWIRIOQAFBF-VIFPVBQESA-N	310.354	1.077	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2nccs2)c(C)c1	770133460	HBKYXXNGQCXONT-UHFFFAOYSA-N	304.375	1.633	50	20	DDGD	
CC(C)NC(=S)NNC(=O)Cc1ccc(F)cc1Cl	1116306060	JYMYQOCAPVHVCS-UHFFFAOYSA-N	303.790	1.925	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc([N+](=O)[O-])cc2O)n1	776160308	XMBHGCPSTBPAAC-UHFFFAOYSA-N	323.696	1.809	50	20	DDGD	
C[C@H](CC(=O)NNc1ccc(F)cn1)NC(=O)C1CCCC1	874651306	MBDNSFCJDQBRPM-SNVBAGLBSA-N	308.357	1.749	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(C)cc1OCCN(C)C	878777709	SCWQFISLQMVRSC-UHFFFAOYSA-N	324.425	1.550	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1cc2c(s1)CCCC2	779822503	FLOVFXDSCZCBJI-UHFFFAOYSA-N	309.391	1.823	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2ncccn2)Cc2ccccc21	873046273	OKQUJRWNVKNOAK-NSHDSACASA-N	311.345	1.450	50	20	DDGD	
CC(C)[C@@](C)(O)C(=O)NNC(=O)c1cccc2ncccc12	771328183	PMALSCAGYPHCSD-MRXNPFEDSA-N	301.346	1.403	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H](C)NC(=O)C(C)(C)C	772831356	ROKDKPVWOJMNBJ-SNVBAGLBSA-N	307.398	1.594	50	20	DDGD	
CC[C@@H]1C[C@H](C)CN1CC(=O)NNC(=O)c1cccc(C)c1	777594931	KTYFGMKWJPFXLX-DZGCQCFKSA-N	303.406	1.876	50	20	DDGD	
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)NCC1CC1	771271271	AMUJIZQPSNJVPJ-SNVBAGLBSA-N	314.386	1.030	50	20	DDGD	
O=C(C[C@H]1C=CS(=O)(=O)C1)NNc1ccc(Cl)cc1F	885109998	MACKWHLBFJBXPB-MRVPVSSYSA-N	318.757	1.871	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)C1CCOCC1)c1ccccc1	883300162	PMQICNPBAOKJLH-AWEZNQCLSA-N	321.377	1.131	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21)C1CCOCC1	883072518	OZKJUPHECVBGQO-RBSFLKMASA-N	300.358	1.146	50	20	DDGD	
COCCC1(C(=O)NNC(=S)NCCSC)CCC1	770245648	GTBPVBLECWEMHZ-UHFFFAOYSA-N	305.469	1.052	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1nc2cc(Cl)ccc2n1C	779823834	UAVZYCZOFFSHMA-UHFFFAOYSA-N	323.740	1.033	50	20	DDGD	
COc1ccc(CCNS(=O)(=O)CCCCl)cc1F	881859159	RLTMWMZIKRTSCT-UHFFFAOYSA-N	309.790	1.925	50	20	DDGD	
CN1CCN(CC(=O)NNc2ccc(F)cc2Cl)CC1	885135334	AXBCTRBPMKIFID-UHFFFAOYSA-N	300.765	1.170	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NNC(=O)c1cccnn1	882056707	CUYILXGHLBLEQJ-AAEUAGOBSA-N	306.366	1.223	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc2c(c1)CCN2C(C)=O	785835770	VUKNSXGHWCVTBR-UHFFFAOYSA-N	319.365	1.293	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1c[nH]nc1-c1ccsc1	780469705	FLKDZDBJWMXWER-UHFFFAOYSA-N	305.363	1.492	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NNc1cc(Cl)ccc1C	885125649	UZRWFPLQAOIYQE-UHFFFAOYSA-N	304.799	1.916	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc2ccccc2n1	880490203	NBVLNWSGGNPSER-ZYHUDNBSSA-N	314.345	1.813	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cccn2c(O)nnc12	780850371	ZWLVTYKLVLMQDP-UHFFFAOYSA-N	314.261	1.100	50	20	DDGD	
C[C@@](CO)(NS(=O)(=O)CBr)c1ccccc1	163514030	XYNRGBMKURIMBX-JTQLQIEISA-N	308.197	1.166	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)c(F)c1Cl	789933936	IQCILMLWYJZSRO-UHFFFAOYSA-N	310.716	1.514	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2cccc3cnccc23)on1	781431140	LVZCVAHEUGPDOA-UHFFFAOYSA-N	312.285	1.766	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ccccn2)cnc1Cl	784796743	OGAJXOSEQAISRF-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1ccnc(NC2CCC2)c1	899908424	YNXICUQFLCYWAZ-UHFFFAOYSA-N	311.345	1.516	50	20	DDGD	
CC(=O)Nc1ccccc1CNS(=O)(=O)CBr	782455178	PXLVTUQPTKQJAI-UHFFFAOYSA-N	321.196	1.417	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cccc(-n2cccn2)c1	899995609	XOVVMTSDSCZDBQ-UHFFFAOYSA-N	317.418	1.780	50	20	DDGD	
CC(=O)Nc1ccc(C)c(C(=O)NNc2ncc(F)cn2)c1	780974397	QAUFPWDLEUFCKC-UHFFFAOYSA-N	303.297	1.639	50	20	DDGD	
CC[C@H](NC(=S)NNC(=O)c1ncon1)c1cccs1	899575123	HHDGZTDDTSOARB-ZETCQYMHSA-N	311.392	1.391	50	20	DDGD	
COCc1nc(C(=O)NN(C)C(N)=O)c(-c2ccccc2)s1	799716145	ZHIOFBAUXMRDRV-UHFFFAOYSA-N	320.374	1.612	50	20	DDGD	
C=C(CBr)CN1CCN(C[C@H]2CCOC2)CC1	791473109	KHSMNUGZNGLACC-CYBMUJFWSA-N	303.244	1.592	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)Cn1cnc2ccccc21	792808643	YTAQPKNJEPOWNM-XHDPSFHLSA-N	318.377	1.245	50	20	DDGD	
CO[C@H](C(=O)NNc1cccc2cnccc12)c1cnn(C)c1	798982805	PQIJNJKDGZVRHX-HNNXBMFYSA-N	311.345	1.799	50	20	DDGD	
Cc1cccnc1NNC(=O)c1ccccc1Cn1cncn1	791219783	UWVUTGOQUXXUDA-UHFFFAOYSA-N	308.345	1.787	50	20	DDGD	
CCc1occc1C(=O)NNC(=O)c1cccc(OC)c1O	798108503	ZWXKRGLIUSPYLP-UHFFFAOYSA-N	304.302	1.631	50	20	DDGD	
N#C/C(=C/c1ccc(F)c(Br)c1)S(N)(=O)=O	798230567	ROYVLTDDNFBQCH-CLTKARDFSA-N	305.128	1.741	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C(C)c1ccnc(O)c1	790289608	YXSDXHSQKDGPEQ-UHFFFAOYSA-N	314.345	1.748	50	20	DDGD	
O=C(CCl)Nc1cc(S(=O)(=O)NC2CC2)ccc1F	1319683158	YRGYVAAUEFMJQH-UHFFFAOYSA-N	306.746	1.444	50	20	DDGD	
O=C(NNC(=O)C(=O)Nc1ccccn1)Nc1ccc(F)cc1	1319267842	IBGZGHQLEFLENQ-UHFFFAOYSA-N	317.280	1.012	50	20	DDGD	
O=C(NCCOc1ccc2c(c1)CCC2)NNC(=O)C1CCC1	1318438477	CNSQSDUZXLOVGI-UHFFFAOYSA-N	317.389	1.685	50	20	DDGD	
CNC[C@@H](C)CNC(=O)NNc1ccc(C(=O)OC)cc1F	1325326715	YCVCYMAQNBXOMU-SECBINFHSA-N	312.345	1.094	50	20	DDGD	
CS[C@@H](C)CC(=O)NNC(=O)c1cncn1-c1ccccc1	1323023948	BONMLLONXKMGOA-NSHDSACASA-N	318.402	1.775	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2cccnn2)ccc1Cl	1324883702	FTBOBMBEVYYHQU-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
CC[C@@H]1C[C@H]1NC(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1329537496	AHOMUCGZJUDVBE-HNBLOZHYSA-N	303.200	1.191	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)COc2ccc(C)cc2)nn1C	1320083927	ANJQYMKROVTJIJ-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
O=C(NNc1cccc(Br)n1)[C@@]1(F)CCOC1	1325525498	HFEFKMIHVFSWGS-SNVBAGLBSA-N	304.119	1.416	50	20	DDGD	
O=C(NNc1ncncc1F)C(=O)Nc1cccc2[nH]ccc12	1324313854	XVILJXMBRNGCIE-UHFFFAOYSA-N	314.280	1.179	50	20	DDGD	
COc1cc(C(=O)NNc2ccc(C(C)(C)C)nn2)ccn1	1321937273	LUMLRRWPIRSUGZ-UHFFFAOYSA-N	301.350	1.935	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1scnc1C(C)C	1324489853	YDTTWOVYVUJHGY-UHFFFAOYSA-N	318.493	1.738	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNc1cncc(Br)c1	1320540426	POSHMDYRPICJDV-XVKPBYJWSA-N	300.156	1.712	50	20	DDGD	
CC(C)n1ccc(NC(=O)C(=O)NNc2cccc(F)n2)n1	1323356340	MWDUFMMPJQAFIU-UHFFFAOYSA-N	306.301	1.080	50	20	DDGD	
C[C@H](C(=O)NNc1nncc(N)c1Cl)C(=O)OC(C)(C)C	1331381411	UFSQYABJXQOVDD-ZCFIWIBFSA-N	315.761	1.133	50	20	DDGD	
Cn1ccc(NNC(=O)CCOCC(F)(F)C(F)(F)F)n1	1331514532	WCIPYJXJDVYEPE-UHFFFAOYSA-N	316.230	1.468	50	20	DDGD	
CC1(C)[C@@H]2CC[C@@]1(C(=O)NNc1ncncc1Cl)C(=O)C2	1263783028	ULXTXKCOUIRSMA-CLAHSXSESA-N	308.769	1.969	50	20	DDGD	
Cc1ncc(C(=O)OC[C@@]2(C)C[C@@H]2Br)c(N)n1	1345219797	KQIKVRQLOFMJEA-GZMMTYOYSA-N	300.156	1.698	50	20	DDGD	
COC1(OC)CC(CNC(=O)NNc2cccc(C#N)c2)C1	1347136306	DMZYWOJKSCSIKG-UHFFFAOYSA-N	304.350	1.583	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCCc1ccsc1	1519760466	AZIGIQOJOGCBTJ-CMPLNLGQSA-N	311.407	1.436	50	20	DDGD	
CCN1CCC[C@@H](NC(=O)NNc2ccc(Cl)cn2)C1=O	1522265488	QSOKIRRBSSVIDI-SNVBAGLBSA-N	311.773	1.372	50	20	DDGD	
C#CC[C@@H](CCOC)NC(=O)NNc1ccc(C(=O)O)c(F)c1	1602683133	JCJYODLDRVEIRZ-JTQLQIEISA-N	323.324	1.578	50	20	DDGD	
O=C(O)[C@H]1C[C@@H](NS(=O)(=O)c2ccc(CCl)cc2)C1	1608823287	JIOSVVVNBZBSKV-AOOOYVTPSA-N	303.767	1.567	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H]2CCN(C3CC3)C2)cccc1C(=O)O	1607553331	QKWZIZXLAALMFB-LLVKDONJSA-N	318.377	1.556	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNc1ccc(C(C)(C)C)nn1)C(=O)O	1602984951	KUCLPIUVFNZFDK-SNVBAGLBSA-N	323.397	1.757	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(F)c(C(=O)O)c1F	1609901537	PIPIYHNGMQBFEN-ZCFIWIBFSA-N	315.276	1.862	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccnc(C3CC3)n2)c(F)c1	1602382983	NGWKMXDPIRBKGN-UHFFFAOYSA-N	316.292	1.948	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc(C(=O)O)cn2)c(C2CCC2)n1	1608098529	LLNASMSCBRTGKB-UHFFFAOYSA-N	315.333	1.538	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)c2cc(-c3nn[nH]n3)ccn2)c1	1605832800	CNGLLOJQBJXPKJ-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
COC[C@H](NC(=O)NNc1ccc(F)c(C(=O)O)c1)C1CC1	1606808315	VPWURYLXHRRYEI-LBPRGKRZSA-N	311.313	1.575	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)[C@H]1CCC(=O)c2cccn21	1608948362	UASGXMQUGIHCMU-CYBMUJFWSA-N	313.313	1.847	50	20	DDGD	
N#CSCCCNC(=O)c1cc(-c2nn[nH]n2)ccc1F	1606354947	YMQBYCKMCONIAD-UHFFFAOYSA-N	306.326	1.340	50	20	DDGD	
CSc1ccc(NNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)cc1	1605387342	AGOLEWPSEVSJGW-UHFFFAOYSA-N	315.362	1.674	50	20	DDGD	
CCC[C@H](CNC(=O)NNc1ccc(C(=O)O)cc1F)OC	1605214288	KNHFYNICHUREHY-SNVBAGLBSA-N	313.329	1.965	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1ccccc1C(=O)O	1607878557	RAKKFDFDWGETMV-UHFFFAOYSA-N	312.325	1.697	50	20	DDGD	
CC[C@H](NNC(=O)c1ccc(OC(C)C)c(OC)c1)C(=O)O	1609933270	TXHJXAJUUSHJKD-NSHDSACASA-N	310.350	1.580	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NC[C@H](CC(=O)O)C1CC1	1601046608	XGBFQFBLJFNCRB-LVOZBFFPSA-N	314.341	1.916	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)Nc1c(C(=O)O)cnn1C	1600536155	HNMISSOXBMTIPJ-UHFFFAOYSA-N	307.285	1.714	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1c[nH]nc1-c1ccc(Cl)cc1	1602072174	UQAUDFMABPCSKA-UHFFFAOYSA-N	321.724	1.448	50	20	DDGD	
O=C(O)c1ccnc(C(=O)NNc2ccc([N+](=O)[O-])cc2F)c1	1602481771	JKRBYPKNNJWETL-UHFFFAOYSA-N	320.236	1.584	50	20	DDGD	
C[C@@H]1C[C@@H]1c1ccc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)o1	1549316827	IGXOLKGJDDRFKM-TWJWRFFLSA-N	317.389	1.716	50	20	DDGD	
O=C(NN=Cc1ccc2occc2c1)[C@@H]1CN2CCC[C@H]2CO1	1549319089	GHTQQZKTSWLYRD-HOCLYGCPSA-N	313.357	1.746	50	20	DDGD	
COC(C)(C)CC=NNC(=O)[C@H]1CCCO[C@H]1c1nccn1C	1549313071	YJWVUGFIEQAVDC-QWHCGFSZSA-N	322.409	1.805	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)ccc1C	1574085214	NKDGXHGXPGGNCA-WDEREUQCSA-N	320.345	1.726	50	20	DDGD	
CNC1(C(=O)NNC(=S)Nc2ccccc2OC)CCC1	1578593106	WDUZBEDPEUUVMA-UHFFFAOYSA-N	308.407	1.155	50	20	DDGD	
CC1(C)CCN[C@@H]1C(=O)NNC(=O)Cc1c[nH]c2ccccc12	1576442853	JSBCWXQQYWOCMP-OAHLLOKOSA-N	314.389	1.246	50	20	DDGD	
O=C(NNc1nc2cccnc2s1)[C@H]1CC[C@H](C2CC2)N1	1580742931	KKNUKNOIBVJIQM-NXEZZACHSA-N	303.391	1.665	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1cccc(OCC(=O)O)c1	1589740749	GEOSBGUPSMGYNV-UHFFFAOYSA-N	323.349	1.739	50	20	DDGD	
C=C(CCC(=O)O)C(=O)NNC(=O)[C@@H](CC)c1ccccc1	1588630730	ZMYFTNGMEYIFMC-ZDUSSCGKSA-N	304.346	1.749	50	20	DDGD	
COCCCCC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1591409109	DHNBQMAEXZBGHU-UHFFFAOYSA-N	323.357	1.238	50	20	DDGD	
COCc1cccc(C(=O)NNc2ncccc2C(=O)O)c1	1594029547	UCKUFRJBZPWBDH-UHFFFAOYSA-N	301.302	1.683	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(-c2nn[nH]n2)c(F)c1	1590748548	JZGZORRJQZHSSC-BQYQJAHWSA-N	302.269	1.388	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)/C=C/c1cccnc1	1599377018	IJKHGLWYOZAYMF-QPJJXVBHSA-N	313.313	1.945	50	20	DDGD	
Cc1cccc(NNC(=O)Cc2ccc(-c3nn[nH]n3)nc2)c1	1592235288	IOIBYVXHTTUUMI-UHFFFAOYSA-N	309.333	1.256	50	20	DDGD	
C[C@@]1(C(=O)NCc2ccnc(C(=O)O)c2)C[C@@H]1Br	1593756384	ORQKQLKSNSTFBD-JOYOIKCWSA-N	313.151	1.570	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@@H](C)C(=O)O	1593640065	LCCJLRDAZZMBGH-SECBINFHSA-N	309.391	1.596	50	20	DDGD	
CCOCCCCNC(=O)NNc1ccc(C(=O)O)c(F)c1	1596907590	NKJDQCWSBDVTHD-UHFFFAOYSA-N	313.329	1.967	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1F)c1ccc(-c2nn[nH]n2)o1	1593163898	MFLQJTUQXVGXHG-UHFFFAOYSA-N	324.222	1.634	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2ccccc2C(=O)O)nn1C	1591930662	VKLKPHHOHKDOKC-UHFFFAOYSA-N	302.334	1.999	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NN=C(C)c1ccc(CC(=O)O)cc1	1776102790	YSGOVLQAJVFXFC-KGLIPLIRSA-N	304.346	1.579	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C\c1ccccc1OCCC(=O)O	1776118080	RESNKOSMMAUNOD-GHXNOFRVSA-N	308.297	1.707	50	20	DDGD	
C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cl)CC	1799270336	NYBFWZLWDPJIQR-GFQSEFKGSA-N	314.813	1.170	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2	15590629	PYAFGXGZFUNPJS-ZETCQYMHSA-N	309.347	1.510	50	20	DDGD	
Cc1ccoc1C(=O)OCC(=O)NNC(=O)c1ccccc1	16416322	RJZKLWKVKUGOIF-UHFFFAOYSA-N	302.286	1.206	50	20	DDGD	
Cc1occc1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	16513335	ZADJNINBAQCLQK-JTQLQIEISA-N	306.293	1.956	50	20	DDGD	
COCCN1C[C@H](C(=O)NNc2ccccc2Cl)CC1=O	158278204	YSTKODZQKNSIEQ-SNVBAGLBSA-N	311.769	1.278	50	20	DDGD	
CC1=C(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)CCCO1	158890362	XHUIEQKYTUDXRC-UHFFFAOYSA-N	313.357	1.942	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@@H]1CCC[C@H]2OCC[C@H]12	151695779	SFQJKRKVRJOKGQ-MGPQQGTHSA-N	303.362	1.588	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CN(CC)C1CC1)c1ccccc1	152443790	AXCBEAXFRMJGHL-OAHLLOKOSA-N	303.406	1.812	50	20	DDGD	
CN(C)Cc1cccc(C(=O)NNc2ncccc2[N+](=O)[O-])c1	152780915	LVTUMCKITRRMRE-UHFFFAOYSA-N	315.333	1.808	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCOc2ccccc2F)[nH]n1	153340970	RNNXOIGQFLCISQ-UHFFFAOYSA-N	306.297	1.087	50	20	DDGD	
CSCc1noc(CCC(=O)NNc2ccc(C#N)cc2)n1	155771917	KJBPUJOHMGATDS-UHFFFAOYSA-N	317.374	1.880	50	20	DDGD	
O=C(NNc1ncccn1)Nc1ccccc1N1CCCC1=O	154316041	NGFZRKLBBKIEOL-UHFFFAOYSA-N	312.333	1.752	50	20	DDGD	
CN([C@@H](CO)Cc1ccccc1)S(=O)(=O)CCCCl	882383974	WUZPXWIFCAUYJE-CYBMUJFWSA-N	305.827	1.481	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C1[C@H]2CCC[C@@H]12	177618910	JRTKPWVUAMMBDQ-PRDYLTDRSA-N	306.337	1.787	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H]1CC1(Cl)Cl	109144809	CALCHQKHJUQUEE-MRVPVSSYSA-N	303.145	1.650	50	20	DDGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCS(=O)(=O)CC1	177110010	MHXCBIGOPVAQAY-ACAGNQJTSA-N	307.331	1.190	50	20	DDGD	
Cc1noc(C)c1[C@H](C)C(=O)NNC(=S)N[C@@H](C)C1CC1	175542982	DZSWRDHDCOMZRQ-YUMQZZPRSA-N	310.423	1.689	50	20	DDGD	
Cc1ccc(NNC(=O)NC2CCN(CC(C)C)CC2)nn1	106262573	XDZWFMOCVUELIH-UHFFFAOYSA-N	306.414	1.532	50	20	DDGD	
O=C(CCC(=O)c1cccs1)NNC(=O)Cc1cccnc1	103425074	YKKYWHVKYSQNPU-UHFFFAOYSA-N	317.370	1.496	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C(C)(C)C#N)cc(OC)c1OC	54870834	VEJCIXFPXNXHIB-UHFFFAOYSA-N	321.333	1.023	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)c1ccc(C)o1	175844542	BUZZVOSJZGRCSH-UHFFFAOYSA-N	319.273	1.580	50	20	DDGD	
Cc1cc([C@H](C)NC(=O)NNC(=O)Cc2cccnc2)c(C)o1	103611862	POGIJLYPLPLCBE-NSHDSACASA-N	316.361	1.926	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](c1ncccc1C)C(C)C	115839958	TWRQXVMZNQNYHB-ZDUSSCGKSA-N	308.382	1.454	50	20	DDGD	
CS(=O)(=O)CC1(CC(=O)NNc2ncccc2Cl)CC1	177414060	SQQNKYHFRBCIOO-UHFFFAOYSA-N	317.798	1.393	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)Cc1ccoc1	119007471	GOBNKFNGCKPQJL-UHFFFAOYSA-N	304.302	1.057	50	20	DDGD	
CN(C)CC(=O)NNC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1	113424136	UOXSMWYQCQJKDB-HZPDHXFCSA-N	311.385	1.652	50	20	DDGD	
CCCN(CC)CCNC(=O)NNc1ccc(Cl)nn1	175766416	HDIXMFZYYKHSTK-UHFFFAOYSA-N	300.794	1.488	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)o1	67282205	CEIHOZUSUJTKSA-LBPRGKRZSA-N	309.366	1.061	50	20	DDGD	
CCC1(C(=O)NNC(=O)Cc2nc3ccccc3n2C)CCC1	177611879	LFLSTWYVDPOTEF-UHFFFAOYSA-N	314.389	1.844	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@H](C)CSC)cc1	66928655	ZXRBLRKNKUWITK-SNVBAGLBSA-N	311.407	1.254	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2COc3ccccc3C2)n1	174473840	JCLKJHGIIDPTGS-GFCCVEGCSA-N	314.345	1.488	50	20	DDGD	
Cc1cc(NNC(=O)c2cc3c([nH]c2=O)CCCC3)nc(C)n1	129031307	WFUUWHXPWOQYFF-UHFFFAOYSA-N	313.361	1.417	50	20	DDGD	
COCc1ccccc1C(=O)NNC(=O)c1ccc(C#N)cc1	61463955	XJBZTZDWOJBPAR-UHFFFAOYSA-N	309.325	1.779	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H](C)OCCC(C)C)cc1	121866808	FJDCWQCGNHZUMM-AWEZNQCLSA-N	322.405	1.972	50	20	DDGD	
O=C(NNC(=O)c1ccc(F)cc1O)c1ccc(Cl)nc1	123448261	UFXYHNVJMWYEQB-UHFFFAOYSA-N	309.684	1.655	50	20	DDGD	
Cc1ncsc1/C=C/C(=O)NNC(=O)c1ccc(C#N)cc1	187472461	CKCQSWZMYHMGSG-VOTSOKGWSA-N	312.354	1.798	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)Cc1cccnc1)c1nccs1	183316891	VCHIJPSVYOLIDC-SNVBAGLBSA-N	319.390	1.215	50	20	DDGD	
CC(C)CCn1ccc(NC(=O)NNC(=O)Cc2cc[nH]n2)n1	183221210	RBBGRBKMRMZOOF-UHFFFAOYSA-N	319.369	1.048	50	20	DDGD	
Cc1cc(CSc2ccccc2C(=O)NN(C)C(N)=O)on1	181082214	IQBBHCUUJYUJCK-UHFFFAOYSA-N	320.374	1.931	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Cc1cc(F)c(F)cc1F	124338606	QUTDYUVZTQDZHM-UHFFFAOYSA-N	312.251	1.139	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NNC(=O)OC(C)(C)C	78578006	JOAVHEHVDQIIFY-UHFFFAOYSA-N	304.350	1.901	50	20	DDGD	
Cc1ccc(-n2cc(C(=O)NNc3cc(C)nc(C)n3)nn2)cc1	128647161	BXCOCNJNIUPBFL-UHFFFAOYSA-N	323.360	1.739	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cccn2C)ccc1N(C)C	183684389	FIAZDCJJLKFHBW-UHFFFAOYSA-N	315.377	1.866	50	20	DDGD	
CNC(=O)c1cccc(NC(=O)C(=O)NNc2ccccc2)c1	185217351	YZYBUXZULZVOCP-UHFFFAOYSA-N	312.329	1.128	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNC(=O)C(C)(C)C)C1CCCCC1	79264032	YQEMEGZMOKEUMZ-CYBMUJFWSA-N	312.458	1.873	50	20	DDGD	
Cc1ccc(C(=O)NNc2nc3ccccc3c(=O)n2C)cc1	70905541	FYZDPJPGUYXQPZ-UHFFFAOYSA-N	308.341	1.999	50	20	DDGD	
CCc1c(C(=O)NN(C)C(N)=O)cnn1-c1ccccc1C	186295958	MZVMTQBITSFWIJ-UHFFFAOYSA-N	301.350	1.398	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccccc1NCc1ccco1	131857308	PGRMECBCKBZSGO-UHFFFAOYSA-N	316.361	1.214	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)Nc2cccc(F)c2C)n1	185545762	VBWHKHGTPWENCY-UHFFFAOYSA-N	317.324	1.623	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](C(=O)OC)c1ccc(F)c(C)c1	186032512	OBXCNGHRQSBOTK-BRADTZPFSA-N	320.320	1.908	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1	134512062	BSUJTUSUJSZAST-UHFFFAOYSA-N	322.708	1.662	50	20	DDGD	
N#CCOc1cccc(CC(=O)NNc2nccnc2Cl)c1	89828551	UEUPVUBXDMFQIN-UHFFFAOYSA-N	317.736	1.718	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1	192917449	RELIEGLOLRIQQQ-UHFFFAOYSA-N	323.349	1.424	50	20	DDGD	
Cc1noc(-c2ccc(C(=O)NNC(=O)c3ccncc3)cc2)n1	193037115	OHBTZVZXDVTCST-UHFFFAOYSA-N	323.312	1.515	50	20	DDGD	
CC(C)C[C@H](CCO)CNC(=O)NNC(=O)CC(C)(C)C	85415157	CAPBVMZMTXDDAD-LBPRGKRZSA-N	301.431	1.798	50	20	DDGD	
C[C@H]1CSCCN(CC(=O)NNC(=O)c2ccccc2)C1	190452904	MGZRALNABJXLQF-GFCCVEGCSA-N	307.419	1.133	50	20	DDGD	
O=C(C[C@H]1CCCCO1)NNc1nc(-c2ccncc2)no1	132613395	ZQWYKZVMMQVHTB-LLVKDONJSA-N	303.322	1.534	50	20	DDGD	
CCCN(CC)c1ccc(C(=O)NNC(=O)C(C)(C)O)cc1	190059774	AJJCCHZBQYNMNO-UHFFFAOYSA-N	307.394	1.455	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@@H](C)Cn2ccnc2C)n1	194873296	LRXJQZYOEZWLNZ-SNVBAGLBSA-N	317.397	1.561	50	20	DDGD	
Cc1cc(NC(=O)NNc2ccc(Cl)nn2)ccc1C(N)=O	92759566	XSIAYAYAFQCCRM-UHFFFAOYSA-N	320.740	1.686	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)Cn2cc(C3CC3)nn2)c1	93543809	WSHILPMEEBIMOW-UHFFFAOYSA-N	317.740	1.219	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNC(=O)CCOc1ccccc1	142562898	WNAGUXNIWVGFJB-CYBMUJFWSA-N	324.377	1.045	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C/c1cccc(OCC(=O)O)c1	264934142	QNYPRDPOFARBFQ-AWNIVKPZSA-N	302.330	1.829	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)c2c[nH]c3ccccc23)O1	268276058	ILDAHKDGMATUDM-HZMBPMFUSA-N	301.346	1.887	50	20	DDGD	
COc1ccnc(NNC(=O)CSC[C@@H]2CCCCO2)n1	263863654	UKOSBRHAVFFXDR-JTQLQIEISA-N	312.395	1.231	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@H](CC)N(C)C)cc1OC	268717599	HCNSHJFDWZOTCF-GFCCVEGCSA-N	323.393	1.195	50	20	DDGD	
Cc1ccc(NNC(=O)NCCCc2ccc(O)cc2)nn1	265428869	ICFYTBBLPXKYII-UHFFFAOYSA-N	301.350	1.750	50	20	DDGD	
CCOC(=O)NCCC(=O)NNC(=O)[C@@H](CC)c1ccccc1	264760229	MNOXRGYFFADJIC-ZDUSSCGKSA-N	321.377	1.464	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(O)cc2O)cc1	263631766	QLBPLIDVBXYKLS-UHFFFAOYSA-N	313.313	1.495	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)CC3CCCCC3)nc21	269335548	ZDVBYFHSKWTLFM-UHFFFAOYSA-N	304.354	1.482	50	20	DDGD	
COCCCN1CCC(NC(=O)NN(C)c2ccccc2)CC1	265527719	ITSVYFHWIAUCJX-UHFFFAOYSA-N	320.437	1.838	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1ccc(N2CC=CC2)cc1	265907781	JSOHPUXDFFLROO-UHFFFAOYSA-N	316.405	1.939	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2c(OC)cccc2OC)n1	266951366	UGYUXGLKYDYGOR-UHFFFAOYSA-N	318.333	1.568	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc2c(c1)NC(=O)CS2	272697932	SLTMJLAXXPSGJT-UHFFFAOYSA-N	308.363	1.037	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C	274410501	MKNRMHLXZUMZJK-UHFFFAOYSA-N	309.326	1.909	50	20	DDGD	
O=C(CN1CCC=C(F)C1)NNC(=O)c1ccccc1Cl	272471690	LKSVYCMOLUWDRW-UHFFFAOYSA-N	311.744	1.660	50	20	DDGD	
CN1C[C@H](C(=O)NNc2ccnc(F)c2)c2ccccc2C1=O	365941609	PNHOSDONDREZEQ-ZDUSSCGKSA-N	314.320	1.533	50	20	DDGD	
N#CC1=CCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1	270949498	OEYMHPIESBWLAH-UHFFFAOYSA-N	324.428	1.881	50	20	DDGD	
O=C(CN1CCc2ccccc21)NNc1nnc(C2CC2)s1	273655275	ZCXSYVNQYMDMCQ-UHFFFAOYSA-N	315.402	1.921	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCCOCC2CC2)c1	272572600	INZBHHPALIFPJH-UHFFFAOYSA-N	321.377	1.916	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNC(=O)COc1cc(C)cc(C)c1	275261735	IEZBQKRRNALBGA-UHFFFAOYSA-N	322.361	1.171	50	20	DDGD	
O=C(CC1CCC2(CC1)OCCO2)NNc1cccc(F)n1	286708416	ZAZIQXIZRHLFKV-UHFFFAOYSA-N	309.341	1.987	50	20	DDGD	
COC(=O)c1ccc(CNC(=O)NCCSSC)o1	285270229	FCNKBINCNGXAFP-UHFFFAOYSA-N	304.393	1.877	50	20	DDGD	
CCC[C@H](NC(=O)Cc1ccccc1)C(=O)NN(C)C(=O)OC	286180405	CKUUQNFYQKXACU-ZDUSSCGKSA-N	321.377	1.243	50	20	DDGD	
C[C@H]1C[C@H](N2CCOCC2)CN1S(=O)(=O)CCCCCl	375632726	WLBYVAVNWUBYMO-STQMWFEESA-N	324.874	1.130	50	20	DDGD	
Nc1nccnc1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	287833409	WDWJHUICNPEMKV-UHFFFAOYSA-N	315.377	1.036	50	20	DDGD	
O=C(C[C@H]1CCCCO1)NNc1ccc(-n2ccnc2)nn1	286640794	NTFPRYKYXKLZPV-LLVKDONJSA-N	302.338	1.065	50	20	DDGD	
CC(=O)NCC[C@@H]1CCCN(CCI)C1	805821555	BPWMLWOFKQAQTI-NSHDSACASA-N	324.206	1.660	50	20	DDGD	
CC(=O)Nc1cccc(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	292658725	OFJNFBKGVGYILY-ZANVPECISA-N	320.349	1.365	50	20	DDGD	
O=C(NCC(Cl)Cl)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O	808131101	PICKNLLUGAIQCE-WHFBIAKZSA-N	307.099	1.363	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1cnc(S)[nH]1	800688447	YEHXSCABUUAMFQ-UHFFFAOYSA-N	310.766	1.356	50	20	DDGD	
Cc1nc2c(cc1C(=O)NNc1cccc(F)n1)c(C)nn2C	804773258	SKRXEBXSXOSSPE-UHFFFAOYSA-N	314.324	1.876	50	20	DDGD	
Cc1noc(C2CC2)c1C(=O)NNC(=O)N=c1cc[nH]cc1	802034317	ISMDFPMTFMEBMA-UHFFFAOYSA-N	301.306	1.144	50	20	DDGD	
CC(C)[C@H]1NCC[C@@H]1C(=O)NNc1nc(-c2cccnc2)no1	290117669	KWBHHQJRHMSPKS-NWDGAFQWSA-N	316.365	1.209	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cnc2ccccc2c1	800833963	RWZAUXRXFSYSBZ-JTQLQIEISA-N	307.375	1.590	50	20	DDGD	
C[C@@H](OCc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CCCCO1	295679239	XWHQIOOAOVDUTB-BXUZGUMPSA-N	324.352	1.447	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)c1cccc(N(C)C)c1)C1CC1	290961737	NMJOCPHNYSYBRQ-INIZCTEOSA-N	305.378	1.329	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)C(C)(C)c1ccccc1)OC	290625195	CJNUJJZKDGLITE-CYBMUJFWSA-N	307.394	1.720	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CNC(=O)C2CCCCC2)s1	299206124	JMABSLKKWOIXRT-UHFFFAOYSA-N	323.418	1.514	50	20	DDGD	
CC[C@@H](C)Oc1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1	292267019	ZFNIXHASYMXCJH-RISCZKNCSA-N	306.362	1.804	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)cc1C1CC1	295293843	DNUDJHUTGFVMTC-HNNXBMFYSA-N	318.373	1.903	50	20	DDGD	
O=C(CN1CCC[C@H](C2CC2)C1)NNC(=O)c1cccs1	808778318	RUPIWVAYDZNIKD-LBPRGKRZSA-N	307.419	1.631	50	20	DDGD	
Cn1cc(/C=C\C(=O)NNc2ccc3c(=O)[nH]ccc3c2)cn1	803436797	CBVISJIQDJNFFL-DJWKRKHSSA-N	309.329	1.418	50	20	DDGD	
COC(=O)c1ccc(CC(=O)NNc2cc(C)nc(C)n2)cc1	295733988	FQERKFLWRSYEBE-UHFFFAOYSA-N	314.345	1.566	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)COc1cc(C)cc(C)c1)C1CC1	291946313	CHMNDMQJDAVIQZ-KRWDZBQOSA-N	320.389	1.645	50	20	DDGD	
COc1ccc(NNC(=O)[C@@]23CC[C@@H](CC2=O)C3(C)C)nc1	295259144	IKDDZRCGMROCKX-MGPLVRAMSA-N	303.362	1.929	50	20	DDGD	
COc1ccnc(NNC(=O)c2coc3c2C(=O)CCC3)n1	294189892	BBDFCJXKYQBNEE-UHFFFAOYSA-N	302.290	1.354	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1c[nH]c2c(F)cc(F)cc2c1=O	807183911	JRMZTMUIPQAAGZ-UHFFFAOYSA-N	324.287	1.112	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2C[C@H](c3ccccc3)OC2=O)ncn1	809680181	QTPHPFYYVQUWBA-CHWSQXEVSA-N	312.329	1.533	50	20	DDGD	
CC(=O)CCc1ccc(OCC(=O)NNC(=O)CC(C)C)cc1	299310276	ACUDEXOMKOJYMN-UHFFFAOYSA-N	320.389	1.781	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1	819122896	KWEMEFPDUBLBGA-ZIAGYGMSSA-N	321.421	1.363	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2CC(=O)N(C)C2)cc1C	819037417	QTGXNMDZPXQKOL-LLVKDONJSA-N	320.418	1.099	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)cc1	817882565	SYDJEUORYDHEJX-NWDGAFQWSA-N	305.378	1.820	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)NCCc1cccs1	812534836	PRXMXKICVCZRQJ-QWRGUYRKSA-N	313.423	1.540	50	20	DDGD	
COc1ncc(C=NNC(=O)Cn2cnc3ccccc32)s1	812223782	MDGDPOYIFVCRAP-UHFFFAOYSA-N	315.358	1.652	50	20	DDGD	
C[C@H](C=NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CCCCC1	814782409	USUVQCYTSHEWME-DGCLKSJQSA-N	300.424	1.740	50	20	DDGD	
Cc1cc(C(F)(F)F)ncc1NC(=O)NNC(=O)C1CC1	810266028	UDTQYZQCFQANNG-UHFFFAOYSA-N	302.256	1.972	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)Cc1cnccc1Cl	816828949	VRJRKESVCIIPDH-UHFFFAOYSA-N	321.739	1.807	50	20	DDGD	
CCOc1cccc2[nH]cc(CC(=O)NNc3nc[nH]n3)c12	816631374	PFENVKKICGICKN-UHFFFAOYSA-N	300.322	1.371	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2cc(OC)ccn2)ccc1C	816688789	GPLUPGPXKJKQQG-UHFFFAOYSA-N	315.329	1.942	50	20	DDGD	
Cc1nn(C)c(N)c1C=NNC(=O)c1cccc(N(C)C)c1	814733734	WOMYTBKPUGPKAP-UHFFFAOYSA-N	300.366	1.141	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1OCCNC(=O)NNc1ncncc1F	814283273	DDJBZRQETQZHOR-PWSUYJOCSA-N	311.361	1.837	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1ccc(-n2cncn2)cc1	814954228	BGNGSPSSCDRWNN-UHFFFAOYSA-N	309.333	1.073	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1	811879047	RSCANDQUCYPLBN-RYUDHWBXSA-N	309.410	1.807	50	20	DDGD	
CCc1ccc([C@@H]2CCN(CC(=O)NNC(=O)C3CC3)C2)cc1	814642301	PFYUUKPXTMNXII-MRXNPFEDSA-N	315.417	1.596	50	20	DDGD	
CC(C[C@H]1COCCN1C(=O)OC(C)(C)C)=NNC(N)=O	495412999	OWUQGPZKTZKGMB-JTQLQIEISA-N	300.359	1.057	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(CSc2nccn2C)o1	823846756	NUIOIJUOSXLRCW-UHFFFAOYSA-N	324.406	1.264	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)Cc2c[nH]c3ccccc23)CO1	828419444	CHLWLHIKNVJRQU-JQWIXIFHSA-N	316.361	1.218	50	20	DDGD	
CCCc1[nH]ccc1C(=O)NNC(=O)CNC(=O)OC(C)(C)C	496157545	CCNJKUFIJMWOFL-UHFFFAOYSA-N	324.381	1.253	50	20	DDGD	
CCCCNC(=O)NNC(=O)/C(C#N)=C/c1ccc(F)cc1	490847199	WWTIZCNLLPSPGL-FMIVXFBMSA-N	304.325	1.863	50	20	DDGD	
COC(=O)NNC(=O)c1cnc(SC)n1-c1ccc(F)cc1	490542953	SVDDWUXHQYNVPS-UHFFFAOYSA-N	324.337	1.734	50	20	DDGD	
CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NN=c2cc[nH]cc2)C1	492749060	PKSVBILLBSFFDH-LBPRGKRZSA-N	318.377	1.204	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)CNc1ccc(C)cc1C	491633020	PCLRMTGKOSTHFP-UHFFFAOYSA-N	309.373	1.695	50	20	DDGD	
Cc1ccccc1CC(C)(C)NC(=O)c1cccc(B(O)O)c1	584943822	OIJGGMVEMWYEBJ-UHFFFAOYSA-N	311.190	1.426	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)Cn1nc(C(F)F)cc1C1CC1	823902119	KOQGXPLRFCMVNA-QMMMGPOBSA-N	302.325	1.042	50	20	DDGD	
O=C(/C=C\C1CCOCC1)NNc1ccc(C(F)(F)F)nn1	492281114	BIHILMVZUUMVON-RJRFIUFISA-N	316.283	1.921	50	20	DDGD	
C[C@H](NC(=O)OCc1ccccc1)C(=O)NNc1cnccn1	491367396	PRFAVSBZKWTQQS-NSHDSACASA-N	315.333	1.235	50	20	DDGD	
CCOC(=O)NNC(=O)C1(NC(=O)OC(C)(C)C)CCC1	496455100	AFTWZKYOELYGSB-UHFFFAOYSA-N	301.343	1.211	50	20	DDGD	
COCC1(CCNC(=O)/C(C#N)=C\c2cnn(C)c2)CCC1	491107764	WLVXANQQINBMLG-ZSOIEALJSA-N	302.378	1.650	50	20	DDGD	
Cc1nscc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	826340242	OJMYEDHRHUCIQN-UHFFFAOYSA-N	301.335	1.389	50	20	DDGD	
CCCN1CCC[C@H](C(=O)NNC(=O)NCc2ccco2)C1	906416776	FVHONLITEBUIJZ-LBPRGKRZSA-N	308.382	1.232	50	20	DDGD	
CC(C)(C)OC(=O)N1CC2(CC(=NNC(=O)C(C)(C)O)C2)C1	495650682	JQDVQUGZDKZUBL-UHFFFAOYSA-N	311.382	1.260	50	20	DDGD	
CN(CCc1ccccc1)CC(=O)NNc1ncncc1Cl	822287648	OLIGUQXGRFWTQX-UHFFFAOYSA-N	319.796	1.748	50	20	DDGD	
CO[C@@H](CNCc1ccc(B(O)O)o1)c1ccccc1Cl	585028198	GNTCIIABKOYQEO-ZDUSSCGKSA-N	309.558	1.090	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCC[C@H](C2CCCCC2)C1	585007936	DBULMDAGSBQFNP-INIZCTEOSA-N	315.222	1.799	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1cccc2cn[nH]c12	495636275	BFIIRDAENVQKGL-UHFFFAOYSA-N	317.349	1.538	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CCN2C2CCCC2)nc1	821354811	OILLAAGOZZYEDQ-CYBMUJFWSA-N	318.377	1.328	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCOC[C@H]2C2CCC2)cn1	491105021	PEWXQNRGGRNIED-LULHVWEPSA-N	300.362	1.355	50	20	DDGD	
Cc1ccc(Br)c(S(=O)(=O)NNC(=O)O)c1	833747466	QNXXHIYBXAURBU-UHFFFAOYSA-N	309.141	1.218	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC2CCN(C)CC2)cc1F	837350016	NXHSHAJZAYOBME-UHFFFAOYSA-N	324.356	1.333	50	20	DDGD	
CC[C@H](NCc1ccc(B(O)O)o1)c1ccc(OC)c(OC)c1	585040495	LVIFKQQLQMIZLN-ZDUSSCGKSA-N	319.166	1.218	50	20	DDGD	
CC1CCC(N(C(=O)c2cccc(B(O)O)c2)C2CC2)CC1	584938482	HBCRVUINXDBBPC-UHFFFAOYSA-N	301.195	1.550	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)[C@H]2CCCCO2)c1C	833246918	UQNPROAUNLMHDX-CYBMUJFWSA-N	308.382	1.322	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@]1(Cl)C[C@H]2CC[C@H]1O2	907221189	PZFARHKWGWBKNN-DDHOLCJHSA-N	324.764	1.845	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C#CC(C)(C)C	837309518	PZDBREZTONPHPB-UHFFFAOYSA-N	318.373	1.661	50	20	DDGD	
CCOC(=O)[C@@H]1CCCN(C(=O)[C@]2(C)C[C@H]2Br)C1	905068511	FHQFMRFMSJESCV-GIPNMCIBSA-N	318.211	1.962	50	20	DDGD	
C[C@]1(C(=O)NCCN2CCSCC2)C[C@H]1Br	906659643	FUDUEMJAXFXRMI-KOLCDFICSA-N	307.257	1.325	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)nc1O	734862924	NZFGBFCABXUAPB-YUMQZZPRSA-N	321.287	1.411	50	20	DDGD	
COC(=O)[C@@]1(C)CCCN(CCI)C1	839666374	LWWBAAADMIVZBO-JTQLQIEISA-N	311.163	1.697	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCN2CCOC[C@H]2C)cc1	838289654	GWYNJINRPUSFIJ-CYBMUJFWSA-N	322.409	1.432	50	20	DDGD	
COc1cc(C=NNC(=O)c2c[nH]nc2C)cc(OC)c1OC	735411550	IYIIXRVUVDIHMN-UHFFFAOYSA-N	318.333	1.508	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCO[C@H](CC(=O)O)C1	909266771	KRVJSHPLXJTGKH-PSASIEDQSA-N	322.199	1.498	50	20	DDGD	
CCn1cc(C=NNC(=O)c2cc(OC)cc(OC)c2)cn1	732527937	OLVXEFIFDSORAR-UHFFFAOYSA-N	302.334	1.684	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)[nH]1	731866818	QWCPVLDNJFXHMY-QMMMGPOBSA-N	306.297	1.086	50	20	DDGD	
CCCCOC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1cnn(C)c1	837971615	PUKCFWZPOCWJLR-NUBYWOLOSA-N	305.334	1.602	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(=O)c2ccccc2o1	833261058	KMUPKUZDSJMTDZ-ZDUSSCGKSA-N	316.313	1.123	50	20	DDGD	
COCCO[C@@H]1CCCN(C(=O)[C@]2(C)C[C@@H]2Br)C1	908036260	NYDZQOHVDUUBHM-NTZNESFSSA-N	320.227	1.814	50	20	DDGD	
C[C@@H](C(=O)O)n1cccc1C=NNC(=O)Cc1ccncc1	833408540	ZRHQGFCDIJYZDX-NSHDSACASA-N	300.318	1.222	50	20	DDGD	
CC(C)[C@H](C(=O)NN=c1cc[nH]cc1)N1Cc2ccccc2C1=O	907256069	DJMPWIIMCHXSJE-MRXNPFEDSA-N	324.384	1.627	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)COC(=O)[C@H]2C[C@@H]2C)cc1C	736744184	XGCDXSZQFYHTSV-WPRPVWTQSA-N	324.402	1.579	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(Cn3cccn3)cc2)ncn1	734255261	POUBFYGVPITIJE-UHFFFAOYSA-N	308.345	1.787	50	20	DDGD	
CCCOc1cncc(NCc2ccc(B(O)O)cc2F)c1	585049232	MAJUPPYTJXIPNK-UHFFFAOYSA-N	304.130	1.301	50	20	DDGD	
CCc1nc(CNC(=O)NNc2ccc(Cl)c(OC)c2)n[nH]1	838626117	LXDIOOUBPSQVJO-UHFFFAOYSA-N	324.772	1.855	50	20	DDGD	
Cc1ccn2cc(C(=O)NNC(=O)NCC(F)(F)F)nc2c1	918707287	PZUOEGLIXDORAF-UHFFFAOYSA-N	315.255	1.149	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCC(=NNC(=O)[C@H]2CCCCO2)C1	834985879	LAGXKDLNIMCNTM-NWDGAFQWSA-N	302.396	1.015	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1ccc([N+](=O)[O-])cc1	916357716	GSIKHMZLSOCORL-UHFFFAOYSA-N	304.306	1.057	50	20	DDGD	
C[C@]1(CN2C(=O)[C@@H]3CSCCN3C2=O)C[C@@H]1Br	857227216	IPYPBDMLKAJHQO-DKCNOQQISA-N	319.224	1.540	50	20	DDGD	
CC[C@@H](NC(=O)NNc1nc(C)cc(OC)n1)C1CCOCC1	746771785	IIFJZDMCDFREMD-GFCCVEGCSA-N	323.397	1.625	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccnc(N(C)C)n1	740103689	YOUBUUKRRKERAP-UHFFFAOYSA-N	316.321	1.516	50	20	DDGD	
COc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1ncccn1	841353647	XRQRNTGLUJZFRM-NWDGAFQWSA-N	312.329	1.050	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2ccc(OC)o2)cc1	846832589	FILBBXRYZWBKBU-UHFFFAOYSA-N	318.329	1.691	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H](C)CCOc1ccccc1	843654896	SXOAPAARVZADIV-IPYPFGDCSA-N	320.389	1.664	50	20	DDGD	
COc1ccc(NC(=O)NN=C[C@@H](OC)[C@@H]2CCOC2)cc1	841641134	TZPHNCXMOHJVLT-BXUZGUMPSA-N	307.350	1.854	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1CC	843660210	WASZDWROMCRSGP-NEPJUHHUSA-N	322.409	1.432	50	20	DDGD	
Cc1cc(NNC(=O)N[C@H](C)CS(C)(=O)=O)ccc1Cl	918607108	NHGFEKXBOFEWJR-SECBINFHSA-N	319.814	1.708	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)C1(C)CCN(Cc2ccccc2)CC1	910152913	WYDWJMGAEDKCBU-HNNXBMFYSA-N	319.449	1.633	50	20	DDGD	
CC(=NNC(=O)Cn1cnc2ccccc21)c1cc2n(n1)CCC2	841608494	BNZDNQVFINRETO-UHFFFAOYSA-N	322.372	1.719	50	20	DDGD	
COCCCCC(=O)NNC(=O)c1cc(OC)cc(OC)c1	746761174	AEXWNYSYQIGSHP-UHFFFAOYSA-N	310.350	1.282	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NCC1CCNCC1	841923383	FHHAJKWHXQHLJT-UHFFFAOYSA-N	318.421	1.339	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccccc1Cn1cccn1	746170450	HGIJZQIJAIFRNH-UHFFFAOYSA-N	301.350	1.285	50	20	DDGD	
Cn1ncc2c1CCCN(C(=O)[C@@]1(C)C[C@@H]1Br)C2	910402028	OOONGMYGMWWCSY-AAEUAGOBSA-N	312.211	1.868	50	20	DDGD	
Cc1ccc(Br)cc1CC(=O)NN(C)C[C@H](C)O	910151163	YZIKSTAAHRUXSE-JTQLQIEISA-N	315.211	1.644	50	20	DDGD	
Cc1nc(/C(C#N)=C\c2cn(C)c(=O)n(C)c2=O)sc1C	741474370	OJTPLHMHECNWSA-YHYXMXQVSA-N	302.359	1.222	50	20	DDGD	
O=C(NNC(=O)c1cccc(C(F)(F)F)c1O)NC1CC1	847392199	OLNUPYFOQNJVRX-UHFFFAOYSA-N	303.240	1.517	50	20	DDGD	
COC(=O)COc1ccc(C=NNC(=O)[C@H]2CCO[C@@H]2C)cc1	842550707	AALJIDAHPQJTFT-RISCZKNCSA-N	320.345	1.114	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cn(C)nc2-c2ccncc2)n[nH]1	920371864	OLEQCFPTQWRPOC-UHFFFAOYSA-N	323.360	1.206	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc2c(c1)CCCC(=O)N2	745139698	RZDRIXHPYGQZJB-UHFFFAOYSA-N	304.350	1.314	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1ccc(Cl)cc1	743446041	NSZYJUBOFHJPBD-UHFFFAOYSA-N	320.736	1.624	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)N[C@H]2CCCNC2)cc1	841943592	RLZQVUJXCNQMED-LBPRGKRZSA-N	322.434	1.170	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccn(Cc2ccccn2)n1	756648704	YPWKBBFTYFSHCZ-LLVKDONJSA-N	316.365	1.525	50	20	DDGD	
O=C(NCC1CCS(=O)(=O)CC1)NNc1ccc(F)cc1	756751792	BOTUBNTYBQFJCE-UHFFFAOYSA-N	315.370	1.277	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2cnn(C)c2)cc1C	755494387	WIQQNPWCAPOEAM-UHFFFAOYSA-N	317.349	1.269	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CCN3CC[C@H]2C3)cc(C#N)n1C	854727504	GZKJKHSFOCBIEA-GSHXUFRSSA-N	309.373	1.029	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cccc2nccnc12)C1CC1	855099528	HXKXBOYDPOCGMR-VIFPVBQESA-N	315.402	1.537	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cccc(Cl)n2)cnn1C(C)C	857323524	PZTQIQPHDGPTFK-UHFFFAOYSA-N	321.768	1.896	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1csc(C)n1	758387006	FBVUKLCCUHPYFY-UHFFFAOYSA-N	303.347	1.325	50	20	DDGD	
C[C@]1(CNC(=O)NCCC2CCNCC2)C[C@H]1Br	857106775	ZRROEVOBZSBNHS-DGCLKSJQSA-N	318.259	1.849	50	20	DDGD	
Cc1nc2ccccc2c(C)c1CC(=O)NNc1cnnn1C	857271607	RJRBZSQUKMATGH-UHFFFAOYSA-N	310.361	1.666	50	20	DDGD	
Cc1cc(C)n(CC(=O)NC[C@@]2(C)C[C@H]2Br)n1	857404052	RJRIHTDHMSKJRC-ZYHUDNBSSA-N	300.200	1.790	50	20	DDGD	
CC[S@@](C)(=O)=NC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	925851860	STHJBKPCMWJWOZ-YLKNVVCXSA-N	304.375	1.756	50	20	DDGD	
COc1ccnc(NNC(=O)[C@]2(C)COc3ccccc3O2)n1	858404648	WDQSYCQMDDVPLG-HNNXBMFYSA-N	316.317	1.158	50	20	DDGD	
CCCN1CC[C@H](CNC(=O)NNc2ncc(Cl)cn2)C1	856826947	FJGIFWMNWJEDOT-SNVBAGLBSA-N	312.805	1.488	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)C1[C@H]2CCC[C@H]12	855832027	QIOBQJDNUALAGG-QWRGUYRKSA-N	309.410	1.122	50	20	DDGD	
CNC(=S)N(C)NC(=O)C[C@H](O)c1ccc(Cl)cc1	854922649	ORKAULWQJJCAED-JTQLQIEISA-N	301.799	1.231	50	20	DDGD	
CN(CCN1CCCC1)C(=O)NC[C@@]1(C)C[C@@H]1Br	856956456	PPPQCOBKEXAPCK-WCQYABFASA-N	318.259	1.897	50	20	DDGD	
CC[C@](O)(C(=O)NN(C)C(=S)NC)c1cccc(Cl)c1	854921754	ZKITYOCKUHHYSN-CYBMUJFWSA-N	315.826	1.405	50	20	DDGD	
COCCCNC(=O)NN=C1C(=O)Nc2cccc(Cl)c21	750936572	UYZMLLGOIFYLFI-UHFFFAOYSA-N	310.741	1.332	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1-n1cccc1	755283249	VBXSQOBFPQZBSO-UHFFFAOYSA-N	323.356	1.513	50	20	DDGD	
CCCc1c(C(=O)NN(C)C(N)=O)cnn1-c1cccc(F)c1	752719347	RQJZSHDLYHSFEA-UHFFFAOYSA-N	319.340	1.619	50	20	DDGD	
O=C(COc1ccc(F)cc1)NN=C1CCCn2nccc21	853274759	ZINGFYHXLVOVHD-UHFFFAOYSA-N	302.309	1.715	50	20	DDGD	
CCOc1cc(C(=O)NC[C@]2(C)C[C@H]2Br)on1	857386270	SLTJTUHROKQRRO-KCJUWKMLSA-N	303.156	1.977	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1c(O)cccc1Cl	755680338	ZMWUJXJURPICGR-UHFFFAOYSA-N	321.720	1.519	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@]1(C)CCN(C(=O)OC(C)(C)C)C1	853000912	SHGIEIGXNDELAA-UILAEWCASA-N	323.393	1.946	50	20	DDGD	
COCCN(C)NC(=O)c1nn(-c2cccc(Cl)c2)cc1O	854413566	SAOYPBIVDVFDHF-UHFFFAOYSA-N	324.768	1.454	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2C[C@@H]3CCCC[C@@H]32)c1	852220785	XWAHYQZUUWHBNS-GJZGRUSLSA-N	301.390	1.630	50	20	DDGD	
O=C(Cc1ccc2c(c1)COC2)NNC(=S)NCC1CCC1	758662421	YSFJVUVQQYVOHH-UHFFFAOYSA-N	319.430	1.555	50	20	DDGD	
CCNC(=O)C1(CNS(=O)(=O)CC(C)(C)CCl)CCC1	867186699	JJXJNRCWAUKLPK-UHFFFAOYSA-N	324.874	1.477	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)N(C)NC(=O)OCc1ccccc1	862288520	NOGKCCMZGCZZSP-LBPRGKRZSA-N	322.361	1.876	50	20	DDGD	
C=CCC[C@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1	862460431	GMGKPVXFGPIVBB-KBPBESRZSA-N	315.373	1.162	50	20	DDGD	
CC(C)(C)[C@H](O)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	765041977	GFFHPFDGIRSCTB-CYBMUJFWSA-N	316.361	1.040	50	20	DDGD	
CCN1CCC(CNS(=O)(=O)CC(C)(C)CCl)CC1	866591511	MSVXNOOPPUVINW-UHFFFAOYSA-N	310.891	1.903	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc3c(c2)C[C@@H](C)O3)n1	933149880	MGEUABTWTYLRIX-SECBINFHSA-N	315.333	1.957	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=Cc1cccc(Cl)c1	763193572	APXCXGIVEOHPKA-UHFFFAOYSA-N	316.748	1.615	50	20	DDGD	
O=C1NCCC[C@@H]1C(=O)NNc1ccc(Cl)cc1Cl	866865410	OBECYYDFZBDELT-QMMMGPOBSA-N	302.161	1.963	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)C3CSC3)n[nH]2)cc1	864889046	NQXALSJOYXTUGH-UHFFFAOYSA-N	316.386	1.509	50	20	DDGD	
COc1cc(C(C)=NNC(=O)c2cnn(C)c2)c(OC)cc1O	763171036	ASACEVMWUSJPLE-UHFFFAOYSA-N	318.333	1.297	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C1(c2ccccn2)CC1	868137012	COKWTZFXNJSNQK-UHFFFAOYSA-N	321.377	1.050	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)CC(F)(F)F)CCO[C@@H]1C1CC1	768536029	RUDUJRNYJLXEJK-PWSUYJOCSA-N	323.315	1.474	50	20	DDGD	
COC(=O)[C@H](CC1CC1)NS(=O)(=O)CC(C)(C)CCl	867403721	UEYMUMCWSVALBJ-JTQLQIEISA-N	311.831	1.513	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N[C@H](C)Cc1cccnc1	934233837	LEMMLDRGWSMRHB-OLZOCXBDSA-N	306.410	1.184	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccccn2)c2ccccc2c1=O	760041111	VWAOLJAAESODJY-UHFFFAOYSA-N	322.324	1.008	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1cnn2ncccc12	765500277	NXFFDBBQUDGYQJ-UHFFFAOYSA-N	305.301	1.429	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCC(C)CC1)c1ccnn1C	766002685	PQFXJDVYMVCERO-CYBMUJFWSA-N	305.426	1.628	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(F)ccc2O)nc1	760785117	LVKLICULTZXOGX-UHFFFAOYSA-N	305.265	1.470	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@]2(C)CCNC2=O)c1C	873758487	UWPYLXFFEJUKOZ-OAHLLOKOSA-N	320.418	1.147	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2CC[C@H](SC)C2)cc1	1116172829	MWKAZJPWDSGCMP-AAEUAGOBSA-N	323.418	1.923	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1cnn2cccnc12	775261962	RUJFAKBMJYGRBO-UHFFFAOYSA-N	322.250	1.900	50	20	DDGD	
CC1(C(=O)NNC(=O)c2nc3ccccc3s2)CCOCC1	874913751	QJZCTKCTOCWFJT-UHFFFAOYSA-N	319.386	1.874	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C2(SC)CC2)cn1	874954386	TWDWWLXAQVONNH-UHFFFAOYSA-N	312.420	1.303	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)N[C@@H]1CC12CCC2	873262020	VMCHAQOYMZIUDL-GFCCVEGCSA-N	321.402	1.757	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1nc(C(C)(C)C)ns1	1119696406	VKEKHNQWXLVUOF-UHFFFAOYSA-N	309.395	1.792	50	20	DDGD	
CC(C)[C@@](C)(O)C(=O)NNC(=O)Cc1cccc2ccccc12	771114849	IYYYUWMYUZSRQO-GOSISDBHSA-N	314.385	1.937	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CSC2CC2)c1	874952356	SKUALQUXAQKBRZ-UHFFFAOYSA-N	305.428	1.881	50	20	DDGD	
CCNc1ccccc1C=NNC(=O)C(=O)NC(CC)CC	872353824	FOZZWMAMTJPUAQ-UHFFFAOYSA-N	304.394	1.873	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)Nc1cccc(C(N)=O)n1	771177792	BJOBMGPFPZQGGO-UHFFFAOYSA-N	303.297	1.777	50	20	DDGD	
C=CCOc1cccnc1C(=O)NNC(=O)c1ccccc1O	775604183	HCMFYCOBODJNAD-UHFFFAOYSA-N	313.313	1.427	50	20	DDGD	
C[C@H](NS(=O)(=O)CCCCl)c1nc(C(C)(C)C)no1	881954608	KOHARAYZOVQYPN-QMMMGPOBSA-N	309.819	1.976	50	20	DDGD	
O=C(NCc1ccc(OC(F)F)cn1)NNC(=O)C1CCC1	775213255	FHFNQPZNBFJIAV-UHFFFAOYSA-N	314.292	1.314	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)C1CCOCC1)c1ccccc1F	883068650	CWSZAHLZOHMFSL-INIZCTEOSA-N	324.352	1.261	50	20	DDGD	
CC(C)C(=O)NNC(=O)Cc1cc(Br)ccc1F	771226170	FGLYVGWDWZNUEE-UHFFFAOYSA-N	317.158	1.934	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cnc(-c2cccs2)s1	779815854	CGFPQKSHYNXLKM-UHFFFAOYSA-N	324.387	1.678	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@@H]1CC[C@H]2CCC[C@@H]2C1	883466906	YWAUUOZETOWDMG-MRVWCRGKSA-N	309.410	1.712	50	20	DDGD	
NC(=O)c1c[nH]c(C(=O)NNc2ccnc(Br)c2)c1	771552749	OMXKDZNKYAIHAC-UHFFFAOYSA-N	324.138	1.028	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H]2CCC(C)(C)C2)c1O	781679963	MBENSFFKZNYNLG-SNVBAGLBSA-N	306.362	1.988	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2ccc(C#N)cn2)C12CCC2	888373634	NDAXCYNRGLMYCW-CHWSQXEVSA-N	315.377	1.927	50	20	DDGD	
N#Cc1ccc(CNC(=O)NNc2ccc(Cl)nc2)nc1	780652208	VSNJENZNMDTFQE-UHFFFAOYSA-N	302.725	1.828	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1ccn(-c2ccccc2)n1	780711532	JYOJQERDILZHKJ-UHFFFAOYSA-N	301.350	1.107	50	20	DDGD	
Cc1nc(C)c(NC(=O)C(=O)NNc2ccccc2F)s1	782705536	DFGDGRAGRCKFGS-UHFFFAOYSA-N	308.338	1.981	50	20	DDGD	
C[C@H]1C[C@H](C)CCC1=NNC(=O)CNC(=O)c1cccnc1	783854641	XKADQBINMTYWEK-NEPJUHHUSA-N	302.378	1.740	50	20	DDGD	
COc1cccc(NNC(=O)COc2ccccc2OC)n1	780772164	ZZPKJNZUOWGCQK-UHFFFAOYSA-N	303.318	1.621	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1ccccc1F)[C@H]1CCCOC1	780043702	IKRWEHBDPTWMGM-AAEUAGOBSA-N	323.368	1.514	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2csnc2C)c1	781236668	VIXMZWZXQLJOAQ-UHFFFAOYSA-N	321.358	1.544	50	20	DDGD	
CCC[C@@H](C(=O)NNc1ccccc1S(N)(=O)=O)C(C)C	788228433	KESFSKBIHUGRQQ-LLVKDONJSA-N	313.423	1.849	50	20	DDGD	
Cc1ccc2nc(C=NNC(=O)c3ccnc(N(C)C)c3)cn2c1	789016902	AXBGMBDBWNBZLF-UHFFFAOYSA-N	322.372	1.868	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)O[C@@H](C)c2nnnn2C)c1	787599701	HZMUFTNJWLJZCT-QVIVLVACSA-N	313.317	1.430	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2c(Cl)cnn2C)cc1	780198637	UOGXMWRRUCSHNT-UHFFFAOYSA-N	306.753	1.911	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1ncccc1Cl	794246855	MQRUNGCEDJPLCJ-UHFFFAOYSA-N	324.793	1.983	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(C#N)ccc2Cl)n1	795164499	CRSRPPBBCTXJBN-UHFFFAOYSA-N	303.709	1.767	50	20	DDGD	
O=C(C[C@H]1CCCOC1)NNC(=O)c1cc2c(s1)CCC2	792812296	QRLXLMWFURWLDA-SNVBAGLBSA-N	308.403	1.815	50	20	DDGD	
COc1ccc(/C=C(\C#N)S(N)(=O)=O)cc1OCC(C)C	799893217	GATSXQFUEPHFPQ-WUXMJOGZSA-N	310.375	1.883	50	20	DDGD	
COc1cccc(C2=NO[C@H](C(=O)NNC(=O)C(C)(C)C)C2)c1	792059231	ZHUHTNWTZLBWRT-ZDUSSCGKSA-N	319.361	1.382	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1cn(-c2ccccc2)nn1	794957027	NXZQNAFRCWEKFB-MDWZMJQESA-N	303.347	1.023	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(OC)c(Cl)n1	798305466	QGABAUZRPBGOGM-UHFFFAOYSA-N	300.771	1.039	50	20	DDGD	
CSCCCN(C)CC(=O)NNC(=O)c1ccc(C)cc1	799199294	VURNLHXBNMKDOR-UHFFFAOYSA-N	309.435	1.441	50	20	DDGD	
Nc1nccc(C(=O)NNc2ccccc2[N+](=O)[O-])c1[N+](=O)[O-]	791219615	YUEYIAUSZBMSHI-UHFFFAOYSA-N	318.249	1.237	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)Cc1ccccc1	1318328094	XIIAXGJCTMSMQF-UHFFFAOYSA-N	300.314	1.161	50	20	DDGD	
Cc1cccc(NNC(=O)C(=O)Nc2cc(C3CC3)n(C)n2)n1	1329123739	RVUAHZDRWZJLTD-UHFFFAOYSA-N	314.349	1.083	50	20	DDGD	
CCn1c(C(C)=NNC(=O)C[n+]2ccccc2)nc2ccccc21	1321099546	JAGVEFBKDOLLGX-UHFFFAOYSA-O	322.392	1.884	50	20	DDGD	
CSSCCNC(=O)N1CCC[C@H](C(=O)NC2CC2)C1	1322277363	IQCHNXXMNNDHKZ-JTQLQIEISA-N	317.480	1.698	50	20	DDGD	
COc1cc(C)cc(C(=O)NNc2nncc(N)c2Cl)c1O	1333604571	IUKQDVSRSVPJQC-UHFFFAOYSA-N	323.740	1.492	50	20	DDGD	
Cn1nc2ccccc2c1C(=O)NNC(=S)NC(C)(C)C	1334734396	GWENOKNFDPNGAG-UHFFFAOYSA-N	305.407	1.481	50	20	DDGD	
C=CCn1cnnc1S[C@H](C)C(=O)NNC(=O)CC(C)C	1251898691	FIVSXGQTVONEAA-SNVBAGLBSA-N	311.411	1.138	50	20	DDGD	
NC1(CNC(=O)NNC(=O)Cc2ccc3ccccc3c2)CC1	1335679100	PPOQQHCNZCJFAP-UHFFFAOYSA-N	312.373	1.204	50	20	DDGD	
CCCn1cc(C=NNC(=O)CCN2CCC(C)CC2)nn1	1261894136	MKHDAMQDPVUJSF-UHFFFAOYSA-N	306.414	1.260	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@H]2CCCCN2C)cc1	1346653306	SMGUHBWGDOCVSE-CYBMUJFWSA-N	320.393	1.124	50	20	DDGD	
COC(=O)c1cc(C(=O)OC[C@@]2(C)C[C@@H]2Br)on1	1344035095	ISBCRPGPWMSZFU-GZMMTYOYSA-N	318.123	1.792	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(-c2c(F)cccc2F)no1	1263845004	WANWOITZCFLAHC-UHFFFAOYSA-N	311.288	1.579	50	20	DDGD	
Cc1nc([C@H](C)NC(=O)NNc2cccc([N+](=O)[O-])c2C)no1	1346695459	KSJFNFPWDNPPCA-QMMMGPOBSA-N	320.309	1.982	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1F)c1ccc(COc2ccccc2)o1	1518771660	AQXCIDHYTOZLDC-CHWSQXEVSA-N	318.304	1.978	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc(C)c(C(=O)O)c2)n[nH]1	1600095174	DUYHSDCLUJTZIE-UHFFFAOYSA-N	317.305	1.191	50	20	DDGD	
O=C(NC[C@H]1CCCNC1)NNc1ccc(C(=O)O)c(F)c1	1601484276	NZVASCPPWVFROK-VIFPVBQESA-N	310.329	1.150	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=C2C[C@H]3C[C@@H](C(=O)O)[C@H]2C3)c1	1602433391	VDBOAMMCEOJLQP-GGZOMVNGSA-N	316.313	1.601	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1cc(C(=O)O)co1	1601359806	SILDNTJVJDXHHV-UHFFFAOYSA-N	322.704	1.635	50	20	DDGD	
CS[C@@H](C)CNC(=O)NNc1ccc(C(=O)O)cc1F	1607391011	YBMFPQWTRRDBOA-ZETCQYMHSA-N	301.343	1.902	50	20	DDGD	
Cc1nccn1CCNC(=O)NNc1ccc(CC(=O)O)cc1	1607989271	CXQLBNZJAUSTNV-UHFFFAOYSA-N	317.349	1.145	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccc([N+](=O)[O-])cn2)c(F)c1	1602382906	IZAOMYDPPLWVKW-UHFFFAOYSA-N	320.236	1.584	50	20	DDGD	
O=C(NCCOCC1CC1)NNc1ccc(C(=O)O)c(F)c1	1608448523	URSRBLBOJCDYKY-UHFFFAOYSA-N	311.313	1.577	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)Nc1cccc(C(=O)O)n1	1608483936	FVOJZQUDBWJIFO-UHFFFAOYSA-N	309.232	1.602	50	20	DDGD	
O=C(NNc1ccncn1)Nc1cc(Cl)cc(C(=O)O)c1	1608484670	ZRNILFLUODEKPE-UHFFFAOYSA-N	307.697	1.977	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)N[C@H]1CCc2n[nH]cc2C1	1601559133	MJODVDLEMUQNQN-NSHDSACASA-N	315.333	1.292	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)NCC[C@@H]2CCCOC2)cc1	1608780902	JFNZMAXPXOIVHK-ZDUSSCGKSA-N	321.377	1.757	50	20	DDGD	
O=C(O)c1cc(NNC(=O)c2nccn3ccnc23)ccc1F	1608856692	LAZDREVKKHUXMD-UHFFFAOYSA-N	315.264	1.324	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1cnn(-c2ccccc2)n1	1610699440	AJHULLQRJOLVKP-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
O=C(O)c1ccc(Cl)c(C(=O)NNC(=O)C2CCCC2)c1	1610830695	ZBHWZVFIODZQBR-UHFFFAOYSA-N	310.737	1.989	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@H]2CCC[C@@H](C(=O)O)C2)n1	1610648933	QYAOCSLVBDHQAO-NKWVEPMBSA-N	313.745	1.046	50	20	DDGD	
CCc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)s1	1549314952	AGKHCPJUVDMZLI-BXUZGUMPSA-N	307.419	1.624	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@@H]1C=NNC(=O)c1ccnnc1	1552762885	NGHKGQUYJPSMGJ-YPMHNXCESA-N	314.349	1.186	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H](CN)c1ccccc1)C1CC1	1576233886	LXXVTYLWVZVBEQ-GWCFXTLKSA-N	306.435	1.023	50	20	DDGD	
N[C@@H](Cc1ccccc1)C(=O)NNc1ccc([N+](=O)[O-])cc1F	1574263771	GOYHFIFASXALEY-ZDUSSCGKSA-N	318.308	1.747	50	20	DDGD	
C[C@@H](N)c1nc(C(=O)NNC(=O)c2ccccc2F)cs1	1576175059	CJKVDHICNBOBPP-SSDOTTSWSA-N	308.338	1.377	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1c(N)cnn1C	1575847982	SYZRFXOLTQFNAW-UHFFFAOYSA-N	309.761	1.326	50	20	DDGD	
C[C@@H]1CCC[C@@H](OCC(=O)NNc2ncccc2C(=O)O)C1	1589315990	VCXQZWYZJCJLSV-GHMZBOCLSA-N	307.350	1.818	50	20	DDGD	
C=C(CCC(=O)O)C(=O)NNC(=S)Nc1ccccc1OC	1588630738	ZTIYZLQJNLRDBE-UHFFFAOYSA-N	323.374	1.434	50	20	DDGD	
COCC1(C(=O)N2CCCC23CN(C(=O)[C@@H](F)Cl)C3)CC1	1841595928	KICIUVOYOGKHDG-SNVBAGLBSA-N	318.776	1.151	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cnc[nH]1)C2	1841667408	JLNVCQMVIQVSJS-LLVKDONJSA-N	324.812	1.634	50	20	DDGD	
N#Cc1c[nH]c(C(=O)N2CCCC23CN(C(=O)[C@@H](F)Cl)C3)c1	1844795584	BWPFDTDRUWHFQW-LLVKDONJSA-N	324.743	1.238	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCl)c1ccc(OCC(=O)O)cc1	1593318588	CZRAJTDVJKVCRC-MRVPVSSYSA-N	307.755	1.327	50	20	DDGD	
Cc1cccc(NNC(=O)c2ccc(-c3nn[nH]n3)c(O)c2)c1	1592235835	YBNFDZJNYFZKDL-UHFFFAOYSA-N	310.317	1.638	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(C(=O)O)cc1OCC	1596662459	GUXLDMCZGMTHQI-UHFFFAOYSA-N	311.294	1.566	50	20	DDGD	
O=C(NNC(=O)[C@@H](C(=O)O)C1CC1)c1ccc2ccccc2c1	1594779446	RPUHOVLGRCBTGR-AWEZNQCLSA-N	312.325	1.712	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1csc(-c2nn[nH]n2)c1	1591431894	WIWNALPHEHOUOH-WTKPLQERSA-N	305.319	1.025	50	20	DDGD	
O=C(/C=C/c1nccs1)NNc1cccc(-c2nn[nH]n2)c1	1592803946	RJFXPUBHUUSQFW-SNAWJCMRSA-N	313.346	1.480	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2ccc(C(=O)O)c(O)c2)cs1	1776029123	QIPOCUUMRDDWNZ-UHFFFAOYSA-N	319.342	1.548	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(C)=O	1795330848	KILSUFUDVCYZAB-YVECIDJPSA-N	302.802	1.003	50	20	DDGD	
COC(=O)c1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)oc1C	17700366	MMRRWZACAUFDQN-IGEMTJHASA-N	318.329	1.577	50	20	DDGD	
C[C@@H](Cc1ccccc1F)C(=O)NNC(=O)NCC(F)(F)F	150718272	XEBNRQFFSKWLJZ-QMMMGPOBSA-N	321.274	1.897	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C(=O)NC1CC1	160284329	QOMGVGIYNOZJAW-SDDRHHMPSA-N	307.394	1.019	50	20	DDGD	
CC(C)Oc1cncc(C(=O)NNC(=O)NCc2ccco2)c1	165347811	ZJECEYCRMQMWOO-UHFFFAOYSA-N	318.333	1.606	50	20	DDGD	
CNc1nc(C(=O)NNC(=O)c2cccc(N(C)C)c2)cs1	153360362	ASOHQGLCNJLAOH-UHFFFAOYSA-N	319.390	1.326	50	20	DDGD	
COc1ccc(NNC(=O)CCn2c(C)c(C)sc2=O)nc1	159171322	IHUORJLWOZPXHV-UHFFFAOYSA-N	322.390	1.464	50	20	DDGD	
CCN1CCCN(S(=O)(=O)CC(C)(C)CCl)[C@@H](C)C1	867395604	NRWQMSBYSDDZCB-LBPRGKRZSA-N	310.891	1.997	50	20	DDGD	
C[C@H](CCCNC(=O)OC(C)(C)C)NS(=O)(=O)CCl	831713398	RIAOTFJCJLFCBI-SECBINFHSA-N	314.835	1.796	50	20	DDGD	
CN(CCNC(=O)NNc1ccc(Cl)nn1)C1CCCC1	104805851	FGFDJKDNUPKHDG-UHFFFAOYSA-N	312.805	1.631	50	20	DDGD	
CN(C)c1ccc(CNC(=O)NNc2ncccn2)cc1F	57647359	BNYBTRDLBNIWGI-UHFFFAOYSA-N	304.329	1.508	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1ccc(C#N)cn1	107759074	FWZXRQMZGFACBR-UHFFFAOYSA-N	324.340	1.356	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)CC(=O)NC1CC1	114226413	WOOJHCUAIKEMLD-UHFFFAOYSA-N	312.801	1.089	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C[C@H](C)c1ccc(F)cc1	109860948	KKRVUVNVLGCTBP-VIFPVBQESA-N	304.325	1.812	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSc1nc2ccccc2[nH]1	119815641	BSCGNJSXUVXGJX-UHFFFAOYSA-N	306.391	1.849	50	20	DDGD	
O=C(CCC1CCC1)NNC(=O)[C@@H]1COc2ccccc2O1	175253121	SQXQSFXWLDWIDF-AWEZNQCLSA-N	304.346	1.554	50	20	DDGD	
O=C(NNC(=O)c1cccc(CN2CCCC2)c1)NC1CC1	64900289	NOLYSKRYIGHORF-UHFFFAOYSA-N	302.378	1.389	50	20	DDGD	
Cc1noc(C)c1C(=O)NNC(=O)c1cccc2ncccc12	66610307	SQUGRZMTYIJJSX-UHFFFAOYSA-N	310.313	1.914	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H](C)C(=O)NCc1ccccc1	67182230	YJAPXDNUKHXZMP-SEVUAYLXSA-N	301.346	1.251	50	20	DDGD	
COc1ccc(CC(=O)NNc2ccc(Cl)nn2)cc1OC	118499616	BIHSDRFFTLWOIO-UHFFFAOYSA-N	322.752	1.833	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1nc(C(C)C)ncc1Cl	110760312	ZAGODLGBXLZIQX-UHFFFAOYSA-N	322.756	1.360	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@H]2CCC[C@H](C)C2)c1O	175619114	ZZPWPMGOGJXQOO-QWRGUYRKSA-N	306.362	1.988	50	20	DDGD	
Cc1ncccc1C(=O)NNC(=O)Cn1ccc2ccccc21	170992181	NVFVNNOGSBLXIZ-UHFFFAOYSA-N	308.341	1.806	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCCOC1	171024982	VVUXPLYQEJAFPU-GHMZBOCLSA-N	310.325	1.167	50	20	DDGD	
O=C(/C=C\c1nccs1)NNC(=O)CCc1ccccc1	1346614515	SJSSUASVAMZVOM-HJWRWDBZSA-N	301.371	1.937	50	20	DDGD	
C[C@H](OC[C@H]1CCCO1)C(=O)NNc1ccc(F)cc1F	113433195	JPQCYMODXKHVDX-GXSJLCMTSA-N	300.305	1.992	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](C)Oc1cccc(F)c1	110760493	YPEAECZGPFAYLA-SECBINFHSA-N	306.297	1.086	50	20	DDGD	
CCOC(=O)NNC(=O)CCCc1nc2ccccc2c(=O)[nH]1	21770777	FMMCNFFNVGMPEI-UHFFFAOYSA-N	318.333	1.023	50	20	DDGD	
O=C(CC[C@H]1CCCCO1)NNC(=O)COCc1ccccc1	124439964	DHSULLWRXOPQLY-OAHLLOKOSA-N	320.389	1.700	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)NC[C@H]1CC=CCC1	69076716	UUZWERWWZHSPTP-LBPRGKRZSA-N	321.352	1.891	50	20	DDGD	
Cc1cc(F)ccc1-c1ccc(C(=O)NNC(=O)CO)cc1F	182759644	NZROTFMEAFYYKT-UHFFFAOYSA-N	320.295	1.694	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(-c2nnnn2C(C)C)c(F)c1	121925896	YCOCHSKXVLMBMW-UHFFFAOYSA-N	321.316	1.233	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCC(F)(F)CO)cc1	186099826	ZKIYEYAVMPXNHL-KPKJPENVSA-N	310.300	1.736	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1c(F)cc(C#N)cc1F	128975336	LOWNOISXMAWVMQ-ZETCQYMHSA-N	317.317	1.192	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)CCc2ccco2)nc1C	182719587	NWBDLFDHRSXFLS-UHFFFAOYSA-N	318.333	1.631	50	20	DDGD	
O=C(NCCCF)NNC(=O)NCc1ccc(Cl)cc1	123710348	IGLLYCQYHVXBKD-UHFFFAOYSA-N	302.737	1.713	50	20	DDGD	
CC(C)C[C@H]1OCCC[C@H]1NC(=O)NNC(=O)c1ccc[nH]1	186240078	LZQBXCJAZMSNNV-DGCLKSJQSA-N	308.382	1.552	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1cc(Cl)ccn1	182998279	WRELJBKKIQFKKF-UHFFFAOYSA-N	300.746	1.657	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NOCc2cccnc2)cc1	127102924	XJMIUETVDZNNMV-UHFFFAOYSA-N	314.345	1.720	50	20	DDGD	
C=C[C@H](CC(=O)NNC(=O)C(=O)N1CCCC1)c1ccccc1	122634163	ALYHFICNJADNQF-CYBMUJFWSA-N	315.373	1.116	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1ccc(C#N)c(Cl)c1	182360532	ODAVELWWSFWQNL-UHFFFAOYSA-N	310.741	1.791	50	20	DDGD	
O=C(NNC(=O)c1ccncc1Br)c1ccncc1	121620503	FVGIJZLMXHOOCW-UHFFFAOYSA-N	321.134	1.314	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1O	182143293	AWSWNADWTMROAY-UHFFFAOYSA-N	318.245	1.966	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccccc2OC(C)C)[nH]n1	184030342	PAHMPPAZZTXDDA-UHFFFAOYSA-N	317.349	1.972	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNC(=O)NCCC1CC1	74819504	KZJRYEZBGHMSEW-UHFFFAOYSA-N	302.334	1.068	50	20	DDGD	
O=C(NNc1cnccn1)Nc1cccc(OCC(F)F)n1	133865017	POBPLWSLDDDVEL-UHFFFAOYSA-N	310.264	1.664	50	20	DDGD	
COCCOCCNC(=O)NNc1ccccc1C(F)(F)F	47049620	INJCFKSGBICSIX-UHFFFAOYSA-N	321.299	1.995	50	20	DDGD	
Cc1cc(Br)cc(C(=O)NNC(=O)CN(C)C)c1	139270595	ZLIGKRDGXMEBNQ-UHFFFAOYSA-N	314.183	1.080	50	20	DDGD	
Cc1cc([C@H](C)NC(=O)NNC(=O)C(=O)NC2CC2)c(C)s1	46602232	AUAUYVIKBTYFRH-QMMMGPOBSA-N	324.406	1.035	50	20	DDGD	
CC(C)CCOCCNC(=O)NNc1cncc(Cl)n1	194502771	DYXOODVLWFNITA-UHFFFAOYSA-N	301.778	1.819	50	20	DDGD	
COc1ccnc(NNC(=O)c2cnc3onc(C)c3c2)n1	46365247	UXVQHQZKBHMQFZ-UHFFFAOYSA-N	300.278	1.087	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)NC2CCCCC2)n(C)c1	192579279	IYQMHTKMMAQEKV-UHFFFAOYSA-N	306.366	1.504	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C[C@@H]1CCCOC1	195012002	VJRKNYPGGKSYBQ-RYUDHWBXSA-N	324.352	1.557	50	20	DDGD	
ICCN1CCN(C[C@H]2CCOC2)CC1	190927550	BFUFGCKVMYSVHL-LLVKDONJSA-N	324.206	1.076	50	20	DDGD	
COc1ccc(S[C@@H](C)C(=O)NNC(=O)c2ccc[nH]2)cc1	97464508	KYVRVUFYTOKQSM-JTQLQIEISA-N	319.386	1.965	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@H](C)c1ccccc1F	94121122	IYXVLEVYGSTQTL-SECBINFHSA-N	315.439	1.788	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)cn1	246674860	IGYSVYHNJUJQHL-JTDRMQGGSA-N	317.393	1.189	50	20	DDGD	
CCOC(=O)NCCC(=O)NN=c1sc2ccccc2n1C	255279269	XQTCJQSSYXCUCB-UHFFFAOYSA-N	322.390	1.308	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C[C@@H]2CCCCO2)cn1	268006303	OJDKSLQOSAOUGS-NSHDSACASA-N	324.406	1.367	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCc2ccc(O)cc2)n1	266918910	BPPRRTNUNPZXHP-UHFFFAOYSA-N	317.349	1.368	50	20	DDGD	
Cc1c(NNC(=O)COCC(F)(F)F)cccc1[N+](=O)[O-]	269592567	GUUBBMIRMWPCEO-UHFFFAOYSA-N	307.228	1.925	50	20	DDGD	
Cc1cc(C)cc(OCCNC(=O)NNC(=O)C2CCC2)c1	264719016	KPYKVHXRVKKJFA-UHFFFAOYSA-N	305.378	1.813	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cc[nH]c2C)cc1	267516026	KLKIFTJYFUCQKS-UHFFFAOYSA-N	301.346	1.726	50	20	DDGD	
O=C(NCCOCC1CC1)NNC(=O)c1cccc(Cl)c1	264493681	OLOMTAFYXZKUPU-UHFFFAOYSA-N	311.769	1.711	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@H](C)C(=O)OC(C)C	266547681	HVPHENKLEFYWBM-LBPRGKRZSA-N	321.377	1.527	50	20	DDGD	
CCO[C@@H](CCNC(=O)NNC(=O)c1ccccc1O)C(C)C	266887926	ZTFHVVPPBFZILH-AWEZNQCLSA-N	323.393	1.787	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(OCC)c(OC)c1	277150863	RHMZUIRTIGXFGG-UHFFFAOYSA-N	310.354	1.792	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CNC(=O)C(C)(C)C)c1	272539175	CMBALOBYLMDLDZ-UHFFFAOYSA-N	307.350	1.079	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1cccc(OC2CCCC2)c1	274264295	XZZZQMOYKYQURW-UHFFFAOYSA-N	321.333	1.334	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)c(C)c1	273691457	KFXLFFIWSKYOKG-UHFFFAOYSA-N	307.350	1.136	50	20	DDGD	
COCCN(C)NC(=O)c1ccccc1OCc1noc(C)n1	288541376	XVLNBQDEHAXRNJ-UHFFFAOYSA-N	320.349	1.180	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCN1CCN(C)C(C)(C)C1	282305530	RLKMMBQOIXLQQE-UHFFFAOYSA-N	320.441	1.042	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H]2[C@@H]3c4ccccc4C[C@H]32)n1	280837835	KHXBJVSFYRVMSI-FVQBIDKESA-N	322.368	1.672	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNC(=O)CC2CCCC2)sn1	288111915	PDAOXIYXYKPKHL-UHFFFAOYSA-N	310.379	1.118	50	20	DDGD	
O=C(CN1CCCCCCC1=O)NNC(=O)Nc1ccccc1	283745308	JGXVZAALNAGMEK-UHFFFAOYSA-N	318.377	1.632	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCn3cncc3C2)c1	371666460	UUOHKCGPPJYWTE-NSHDSACASA-N	314.345	1.375	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccnn1)[C@@H](c1ccccc1)N(C)C	288164831	OUTVKDPQXOTXNJ-DOMZBBRYSA-N	314.393	1.794	50	20	DDGD	
COc1cc(/C=C(/C#N)C(N)=O)cc(OC)c1OCC(F)F	289913443	LOBRDMJNOJJFQQ-OQFOIZHKSA-N	312.272	1.740	50	20	DDGD	
Cc1cn2c(=O)c(C(=O)NCC(Cl)Cl)cnc2s1	288327886	VJJGMFXXICETGJ-UHFFFAOYSA-N	306.174	1.598	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1	294305546	XEYZWCYMYCVRRN-LBPRGKRZSA-N	323.299	1.405	50	20	DDGD	
CSC[C@@H](C)NC(=O)NNc1ccc2c(=O)[nH]ccc2c1	806834068	UUCGZBCLXGHRIN-SECBINFHSA-N	306.391	1.906	50	20	DDGD	
O=C1COc2ccc(C(=O)NNc3cccc(F)n3)cc2N1	804770557	HYBPQCJVXAMPFL-UHFFFAOYSA-N	302.265	1.309	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNC(=O)[C@@H]2CCCCO2)cc1	295667256	WNMPUIQGFPBHRW-DOMZBBRYSA-N	320.389	1.590	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1c[nH]nc1-c1ccsc1	294462463	ANASTSNXSPTRSU-JTQLQIEISA-N	306.347	1.078	50	20	DDGD	
C=CCN(CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1	299711793	QMDHITUSBQACHR-UHFFFAOYSA-N	318.333	1.006	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)NOC1CCCCC1	805315155	LJMFCXVYCYTDQW-UHFFFAOYSA-N	317.353	1.553	50	20	DDGD	
C[C@H](Sc1ccccn1)C(=O)NNC(=O)N=c1cc[nH]cc1	802034167	CJCLJINJHJMFQU-JTQLQIEISA-N	317.374	1.232	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H](OC)C2CC2)c1	297216670	DVTIQGPRTTUNEJ-ZDUSSCGKSA-N	307.350	1.524	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2sccc2C2CC2)CC1	807383266	RXVLYBZYNPZKRU-UHFFFAOYSA-N	308.407	1.227	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCc2nccs2)cc1	299089088	LPGINFUFRUTSMK-UHFFFAOYSA-N	319.386	1.611	50	20	DDGD	
Cc1ncncc1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	298629339	DRPFOIITCPHOLY-UHFFFAOYSA-N	314.389	1.762	50	20	DDGD	
C[C@H](OCc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCCCO1	295679245	XWHQIOOAOVDUTB-FZMZJTMJSA-N	324.352	1.447	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)Sc1cccc(C(N)=O)c1	809988362	CBHKGGYAAJXUNZ-SNVBAGLBSA-N	323.418	1.460	50	20	DDGD	
COc1nccc(NC(=O)NNC(=O)c2ccccc2C)n1	801723827	AURYCUAUNFRNCI-UHFFFAOYSA-N	301.306	1.260	50	20	DDGD	
N#C/C(=C\c1cnn(CC(F)F)c1)C(=O)NC[C@H]1CCCO1	292356757	QPVWNUXEOACMJP-KBVBDRTLSA-N	310.304	1.350	50	20	DDGD	
CC(C)(C)Oc1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)nc1	293287712	HMZLPJBSIGEHKI-LBPRGKRZSA-N	307.350	1.199	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NNc2ncccc2F)cc1	805027868	TUGICDKNFMGRIK-UHFFFAOYSA-N	314.280	1.063	50	20	DDGD	
O=C1OC[C@@H]2CN(C[C@H](CBr)C3CC3)CCN12	1328757050	VTGMEVWSDNGDNW-QWRGUYRKSA-N	303.200	1.544	50	20	DDGD	
Cn1cc(C=NNC(=O)N=c2cc[nH]cc2)c(-c2ccncc2)n1	815002692	MYFWFEZWEWZWLF-UHFFFAOYSA-N	321.344	1.455	50	20	DDGD	
Cc1nc(COc2cccc(C(=O)NN(C)C3CC3)c2)no1	819650591	SSXBCSGXSDZRQX-UHFFFAOYSA-N	302.334	1.696	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)Nc2cc(F)cc(F)c2)on1	815006679	JKPOYTXKYADBGO-UHFFFAOYSA-N	324.243	1.895	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNc2ncncc2F)ccc1F	817081228	XCODNUTYGAKOJK-UHFFFAOYSA-N	307.260	1.470	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@H]1C(=O)OCC1(C)C	819779177	UHERPLAGTBXRIK-SFYZADRCSA-N	306.200	1.864	50	20	DDGD	
O=C(COC(=O)CCCC1CC1)NNC(=O)c1cccs1	812603121	JSBLXEUWNRQVQM-UHFFFAOYSA-N	310.375	1.633	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NN=Cc2cccnc2Cl)c1	814881983	DOGNSAUDJGVGNX-UHFFFAOYSA-N	317.736	1.852	50	20	DDGD	
C[C@H]1CN(c2ccnc(C(=O)NN(C)C3CC3)c2)C[C@@H](C)O1	819651021	DBLZQDYRGGLHRL-TXEJJXNPSA-N	304.394	1.434	50	20	DDGD	
CC(=NNC(=O)c1cc(C)[nH]n1)c1cccc(-n2cnnc2)c1	814878130	PJVCDZHVAFKUAY-UHFFFAOYSA-N	309.333	1.453	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CCC[C@@]1(C)NC(=O)NC1=O	819850340	WNULKVWVFMOXEC-LLVKDONJSA-N	310.181	1.017	50	20	DDGD	
O=C(COc1ccc2c(c1)CCC2)NNc1ncncc1F	817078211	ZRTCSMHNGYJDSX-UHFFFAOYSA-N	302.309	1.627	50	20	DDGD	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NNc1cnnn1C	816772167	PPDFUAXWNGSJAN-QMMMGPOBSA-N	322.350	1.347	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=C[C@@H]1CCCOC1	814766272	GTHHLSSLVQJENU-YJNKXOJESA-N	311.426	1.260	50	20	DDGD	
NC(=O)NCCCCCC(=O)NNc1ccc(F)c(F)c1F	728717529	ZWGIEXHOHDJSRT-UHFFFAOYSA-N	318.299	1.776	50	20	DDGD	
Cc1cccc2sc(NNC(=O)CNC(=O)C3CC3)nc12	828363046	XEONECHZEYASHU-UHFFFAOYSA-N	304.375	1.574	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2ccc(C#N)o2)n1	826970999	SOJNMFWTMFKDNN-UHFFFAOYSA-N	300.322	1.544	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2C[C@H]2c2ccc(C)cc2)n1	827783432	RYOMDDJRBHFTHE-QWHCGFSZSA-N	313.361	1.976	50	20	DDGD	
CC(C)C(=O)NNC(=O)CCN(C(=O)OC(C)(C)C)C(C)C	491009938	QJFWQRWJPBYWQV-UHFFFAOYSA-N	315.414	1.825	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)C[C@@H]1CC[C@H]2C[C@H]12	822234224	JLMZMZAWQYNWMM-AVGNSLFASA-N	312.373	1.840	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCC(C)(C)OCC2CC2)cn1	491174608	IACWZYHIQPBMHT-MKMNVTDBSA-N	302.378	1.648	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)/C(F)=C\C2CCCCC2)nn1	826844035	XTVNAQVJVKDWEI-CSKARUKUSA-N	307.329	1.452	50	20	DDGD	
COCCN(C)NC(=O)C1=C(c2ccccc2)SCCO1	822842894	CWMWZGXHRPYSPH-UHFFFAOYSA-N	308.403	1.728	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H]2CCC[C@@H]2c2ccccc2)nc1O	824050251	BQCJELDTXNTKTD-CHWSQXEVSA-N	313.361	1.913	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNc1ncc(Br)cn1	824306930	RZOFDQRZBREFLG-VIFPVBQESA-N	314.187	1.167	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCN2C(=O)CC[C@@H]2C1	490881013	WOQLRNINVHPSCG-UZGISAJGSA-N	313.332	1.566	50	20	DDGD	
C[C@@H]1Sc2ccc(C(=O)NN(C)[C@@H](C)CO)cc2NC1=O	823988395	RMZFCGPBFGISFB-IUCAKERBSA-N	309.391	1.077	50	20	DDGD	
C=CCn1cc(CNC(=O)NNc2ccc(OCC)cc2)nn1	824732383	YCRWTWVHCICYSD-UHFFFAOYSA-N	316.365	1.689	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@@H](C(C)C)[C@@H](O)c1ccccc1	829634337	FRBGOONVKKMDMD-HOTGVXAUSA-N	321.421	1.138	50	20	DDGD	
O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CC[C@@H](B(O)O)C1	585069910	TXQPJDVNJYUVMK-SNVBAGLBSA-N	320.541	1.684	50	20	DDGD	
COc1cccc(-c2cc(C(=O)NN(C)[C@@H](C)CO)on2)c1	823907078	HNJQGLOUYOXVRY-JTQLQIEISA-N	305.334	1.308	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCSC2(CCCCC2)C1	828016392	VFCMWXWYEMZIMR-UHFFFAOYSA-N	313.467	1.542	50	20	DDGD	
CCOc1cccc2c1CC[C@@H]2NCc1cccc(B(O)O)c1	585023864	MWIDRIMQTRKSHQ-KRWDZBQOSA-N	311.190	1.542	50	20	DDGD	
CCOC(=O)[C@@H]1CCCN(C(=O)[C@@]2(C)C[C@@H]2Br)C1	905068512	FHQFMRFMSJESCV-NRUUGDAUSA-N	318.211	1.962	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O	490975750	PRMJNKWTBWETDM-PLSXKVAHSA-N	317.320	1.491	50	20	DDGD	
O=C(NCc1ccccc1)[C@H]1CCN(S(=O)(=O)CCl)C1	828082992	QRVUAPBJGUBZJD-LBPRGKRZSA-N	316.810	1.151	50	20	DDGD	
CC(=O)N[C@](C)(C(=O)NN(C)C(=O)OC(C)(C)C)C(C)C	822508098	VOXTVRUGLBBQFE-AWEZNQCLSA-N	301.387	1.435	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C/c2ccc(O)c(C(=O)O)c2)n1	491009766	KTOYKKFPVOMODW-UXBLZVDNSA-N	312.285	1.370	50	20	DDGD	
CCN(CC1CC1)S(=O)(=O)NN(C)C(=O)OC(C)(C)C	496830218	TVOYFGJRHVNSDK-UHFFFAOYSA-N	307.416	1.335	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21	826122994	BQUTXHHWPWJSTP-FOLVSLTJSA-N	301.390	1.988	50	20	DDGD	
O=C(/C=C/C1CCOCC1)NNc1ccc2c(=O)[nH]ccc2c1	492920792	DCRHMOICYKAOAK-DAFODLJHSA-N	313.357	1.954	50	20	DDGD	
OB(O)c1cccc(CNC[C@@H]2CCCC[C@H]2C(F)(F)F)c1	585031045	OWYUIHPDWKZORT-GXTWGEPZSA-N	315.144	1.825	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCCc1nc(O)c2ccccc2n1	823982959	HZUVFOZLAQYXBH-NSHDSACASA-N	318.377	1.002	50	20	DDGD	
CC[C@@H](C)c1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cc1	585061524	ZSXQOMDKNQEFIU-DGCLKSJQSA-N	311.212	1.438	50	20	DDGD	
Cc1cc(NNC(=O)Cc2nnc(O)c3ccccc23)nc(C)n1	736718259	GOPXIAMZQQZWEB-UHFFFAOYSA-N	324.344	1.428	50	20	DDGD	
O=C(/C=C\c1ccc(Cl)nc1)NNC(=O)N=c1cc[nH]cc1	493268226	OZQQPSUFNOZCGB-RQOWECAXSA-N	317.736	1.418	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCc1cccs1	906418524	XVZDKDYSSLZKPS-STQMWFEESA-N	323.418	1.602	50	20	DDGD	
CN(C[C@H](O)C(F)(F)F)C(=O)/C(C#N)=C/c1ccc(O)cc1	491173157	BFIYLDXWHSUNJU-JXPAYYINSA-N	314.263	1.681	50	20	DDGD	
C[C@H](NCc1cccc(B(O)O)c1)[C@@H](c1ccccc1)N(C)C	585036323	HLWIYUHTWUNQNJ-KSSFIOAISA-N	312.222	1.147	50	20	DDGD	
CCc1nc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)sc1C	831506868	YYHXJRKPEAJGOS-APPZFPTMSA-N	312.395	1.592	50	20	DDGD	
C[C@](O)(CNC(=O)[C@]1(C)C[C@H]1Br)c1ccco1	906861620	XJAMRJKLGNFKQM-FXAINCCUSA-N	302.168	1.777	50	20	DDGD	
C[C@@]1(C(=O)N2CC(=O)N(CC3CC3)C2)C[C@H]1Br	907846934	DWUMRHAOKZLMDL-BXKDBHETSA-N	301.184	1.198	50	20	DDGD	
C[C@]1(C(=O)NC[C@@H](O)COCC2CC2)C[C@H]1Br	907007824	GHNSMNVGQBYJRN-FOGDFJRCSA-N	306.200	1.064	50	20	DDGD	
CC(C)(C)c1nc(C(=O)Nc2cccc(B(O)O)c2)cs1	584910056	MDNQBUOCPQDHKW-UHFFFAOYSA-N	304.180	1.373	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H]2CCOC3(CCC3)C2)nn1	836580781	PQRSWERZURQCCB-LBPRGKRZSA-N	305.382	1.760	50	20	DDGD	
Cc1ccc(CN(C(=O)c2cccc(B(O)O)c2)C(C)C)s1	584933575	JAUFHUDPYZIXPR-UHFFFAOYSA-N	317.219	1.787	50	20	DDGD	
O=C(Cc1cccc(C(=O)O)c1)NNc1ccc([N+](=O)[O-])cc1	833765917	WHRGYGFVXFEGTA-UHFFFAOYSA-N	315.285	1.979	50	20	DDGD	
CC(CCC1CCCCC1)=NNC(=O)[C@@H](C)NS(C)(=O)=O	731927878	WMHWZVHXAINPDQ-GFCCVEGCSA-N	317.455	1.777	50	20	DDGD	
O=C(CCC(=O)N1CC[C@@H](B(O)O)C1)c1ccc(Cl)cc1	585070952	JGMPRNVIFULQIT-LLVKDONJSA-N	309.558	1.378	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1C(=O)O)c1ccc(Cl)cc1Cl	739454097	QBTCZGSRBROXOC-SFYZADRCSA-N	317.128	1.475	50	20	DDGD	
C[C@]1(C(=O)NCc2ccc(C(N)=O)cc2)C[C@@H]1Br	905253417	RYUXNJWBWWHQSW-GWCFXTLKSA-N	311.179	1.575	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1CCC[C@@H]1c1cccs1	584924930	NFAKTGYPGROWKX-CYBMUJFWSA-N	319.166	1.544	50	20	DDGD	
O=C(N[C@@H]1CC[C@@H](Cc2ccccc2)C1)c1ccc(B(O)O)cc1	584979151	MCMJATKUTSODFD-MAUKXSAKSA-N	323.201	1.508	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)cc1C	905103828	KALGUXOJUBWWCC-VBNZEHGJSA-N	316.357	1.055	50	20	DDGD	
O=C(NCB(O)O)c1ccc(Oc2ccccc2Cl)nc1	585061627	XBQMUYODONHEBG-UHFFFAOYSA-N	306.514	1.269	50	20	DDGD	
O=C(CCCc1c[nH]c2ccccc12)N1CC[C@H](B(O)O)C1	585067086	VAKKUBNEZQZPTQ-ZDUSSCGKSA-N	300.167	1.566	50	20	DDGD	
CCOc1ccc(C=NNC(=O)C[n+]2ccccc2)cc1OC	585657316	FDIWJWYCSZUODS-UHFFFAOYSA-O	314.365	1.532	50	20	DDGD	
C[C@H]1CC(=NNC(=O)COc2ccccc2O)c2nccn21	834983508	YGHDAPSGZGERFN-JTQLQIEISA-N	300.318	1.453	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)cc(O)n1	833242247	ITMWNVMNUPGNKW-LBPRGKRZSA-N	307.350	1.241	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H](O)C(C)(C)C	735836150	CYWSPAUNBAULMP-CABZTGNLSA-N	312.341	1.147	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H](Cc2ccccc2)C1	732201579	GYWJHEOHSPZKKQ-GOEBONIOSA-N	317.433	1.887	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@]2(c3ccccc3)CC2(C)C)n[nH]1	831419459	YXCMAIATTGGQLT-QGZVFWFLSA-N	312.373	1.847	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCCO1)c1cccc(-n2cnnc2)c1	834985399	LMENXZHJBXNTDE-HNNXBMFYSA-N	313.361	1.677	50	20	DDGD	
CC(=NNC(=O)C(C)(C)C)c1cn(CC(=O)OC(C)(C)C)nn1	834940550	HVGYPFJSSVGKOJ-UHFFFAOYSA-N	323.397	1.506	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NC[C@@H]2CC[C@@H](C)O2)c1	838742167	OTIDZCYKMDOTDD-OCCSQVGLSA-N	321.377	1.272	50	20	DDGD	
C[C@H](COCC(F)(F)F)NC(=O)NNC(=O)C1CCCC1	743341688	QPBHRWTZSCYPRE-MRVPVSSYSA-N	311.304	1.474	50	20	DDGD	
COCCOc1cccc(C=NNC(=O)c2cnccn2)c1	917546116	OUFLWXUSSBISFQ-UHFFFAOYSA-N	300.318	1.266	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCCCCCN)c1	831274865	NTZCMJZOLXUKLZ-UHFFFAOYSA-N	308.382	1.618	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)CCc1ccccc1)[C@H]1CCOC1	743654902	ROJVSKDKGSHOCW-JSGCOSHPSA-N	305.378	1.375	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)s1	745375484	MLNUJMMUIIGHGM-UHFFFAOYSA-N	319.342	1.298	50	20	DDGD	
Cc1c(NNC(=O)Cn2ccc([N+](=O)[O-])n2)cccc1[N+](=O)[O-]	748682887	MJKHTXZESCVGAD-UHFFFAOYSA-N	320.265	1.151	50	20	DDGD	
O=C(NN=Cc1cccc2c1OCCCO2)N1CCOCC1	745591655	DEKPZNQGJJQNIH-UHFFFAOYSA-N	305.334	1.224	50	20	DDGD	
Cn1cc(-c2nn(C)cc2C(=O)NCC(Cl)Cl)cn1	848384187	BVJSVHMNWGULJF-UHFFFAOYSA-N	302.165	1.354	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1(Cc2ccccc2F)CC1	843655386	JHTJGZWPGNBCTD-WCQYABFASA-N	320.364	1.721	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(C2CCCCC2)[nH]n1	843979419	NXSRKAZZBUKDJO-ZYHUDNBSSA-N	320.393	1.643	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@@H](CC)OC	743738005	PAGYXISGKWDNEW-CYBMUJFWSA-N	318.377	1.171	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CCc2cscn2)cc1	846371366	BOEYCQLPWHVVTO-UHFFFAOYSA-N	319.386	1.935	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)COc2ccccc2C#N)cc1	916324376	ZVGQEDYZVHUIHJ-UHFFFAOYSA-N	304.309	1.959	50	20	DDGD	
O=C(NNC(=O)C1CCN([C@@H]2CCSC2)CC1)C1CCC1	847481219	GGRNYIJASLBPCG-CYBMUJFWSA-N	311.451	1.151	50	20	DDGD	
Cc1cc(Br)oc1C(=O)NNC(=O)c1ccncc1	916031268	CXWKTVPMCANOAC-UHFFFAOYSA-N	324.134	1.820	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)C[C@@H]1CCCS(=O)(=O)C1	848083854	QUYIXSCVAURSJQ-QMMMGPOBSA-N	302.223	1.463	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CC2(OC)CCC2)cc1	846378482	XVFNBTDXFXDICH-UHFFFAOYSA-N	306.362	1.804	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(CNC(N)=O)cc2)cc1	746887002	OLEXSNZCYXXYJR-UHFFFAOYSA-N	314.345	1.620	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H](O)c1ccc(C(F)(F)F)cc1	910184301	OXWWVCXHVVFVBY-GZMMTYOYSA-N	306.284	1.083	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCOc1ccc(F)cc1	843646665	WRVMBBVBPOLNJZ-GWCFXTLKSA-N	310.325	1.167	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccccc1OCCC(C)C	847504097	ZWDYMTDSUYCSOO-UHFFFAOYSA-N	323.349	1.437	50	20	DDGD	
O=C(NNS(=O)(=O)C1=CCCCC1)c1cccc(Cl)n1	849312387	AJTPOBJHBWNILM-UHFFFAOYSA-N	315.782	1.757	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1scc2c1OCCO2	848370021	WJYKBBVVZAEODJ-UHFFFAOYSA-N	310.375	1.861	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(N(C)C)cc1C	841627779	CCPGLCZVYMNXTK-ZDUSSCGKSA-N	307.394	1.563	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1(Cc2ccccc2F)CC1	843655384	JHTJGZWPGNBCTD-DGCLKSJQSA-N	320.364	1.721	50	20	DDGD	
Cc1nnc(-c2cccc(C(=O)NNC(=O)NC3CC3)c2)o1	746164814	IDKVDPUKGONYOF-UHFFFAOYSA-N	301.306	1.151	50	20	DDGD	
Cc1ccc(F)cc1NC(=O)NN(C)C(=O)N1CCNCC1	841008543	UBRKEXOLSLPWDB-UHFFFAOYSA-N	309.345	1.128	50	20	DDGD	
O=C(NNc1c(F)cccc1F)[C@@H]1CCCN1C(=O)C1CC1	843831452	UDDKTBNWHZUCLZ-LBPRGKRZSA-N	309.316	1.809	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNc1ncccc1C(F)(F)F	740097258	LYRBJUHWVRMNIM-ZETCQYMHSA-N	304.272	1.458	50	20	DDGD	
CCNC(=O)NN=C1C(=O)Nc2cc(OC(F)(F)F)ccc21	920825543	SOKXFJNTLPFHDO-UHFFFAOYSA-N	316.239	1.561	50	20	DDGD	
NC[C@@H]1CC[C@H](NC(=O)NNC(=O)CCCc2ccccc2)C1	842009705	GHJHZWKUXADCOG-CABCVRRESA-N	318.421	1.467	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H](C)C2CC2)c1	748143761	QPJQJHBQOCYVPW-NSHDSACASA-N	304.346	1.345	50	20	DDGD	
COc1ccc(CCNC(=O)NNC(=O)CC(C)C)c(OC)c1	746232881	IQHBYSBBZZYSJN-UHFFFAOYSA-N	323.393	1.623	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cccn2cc(C(F)(F)F)nc12	854214133	FQALGRDPZQIQIP-UHFFFAOYSA-N	314.267	1.770	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cc(C(N)=O)c[nH]2)cc1Cl	753303467	WMZUJAGSKDMWEF-UHFFFAOYSA-N	303.709	1.396	50	20	DDGD	
CN(C)C1(C(=O)NNc2ccc(C(F)(F)F)nn2)CCC1	755204353	GQQFTMKXNVWTNE-UHFFFAOYSA-N	303.288	1.423	50	20	DDGD	
CCc1nn(C)c(CC)c1CNC(=O)NNC(=O)C1CCCC1	755085851	XRQOVUZGZGFGCV-UHFFFAOYSA-N	321.425	1.566	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1cc(C)cs1)[C@@H]1CCCO1	858325053	YWKUQKXRWUHKPB-QWRGUYRKSA-N	311.407	1.958	50	20	DDGD	
CO[C@]1(C)C[C@H](NC(=O)NNc2ncc(Cl)cn2)C1(C)C	856873937	YCHWBHLSGLTMLB-TVQRCGJNSA-N	313.789	1.960	50	20	DDGD	
Cc1sc(NC(=O)C(=O)NNC(=O)C2CCC2)nc1C(C)C	850411574	FYASLGUKZFLHDA-UHFFFAOYSA-N	324.406	1.461	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)COc1ccccc1O)C1CC1	855104185	BKERIZZTMAPSNV-VIFPVBQESA-N	309.391	1.065	50	20	DDGD	
Cc1cccc(C2(C(=O)NNc3ccc(C(N)=O)nn3)CC2)c1	757404438	PHIPKKHVCZHNSZ-UHFFFAOYSA-N	311.345	1.059	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(N2CCCC2=O)c(OC)c1	755592167	ICUYHGKDWIJYBU-UHFFFAOYSA-N	320.349	1.385	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NN=C[C@H]1CCOC1	853375113	BIJVSXWTVMDGCQ-YRGRVCCFSA-N	306.366	1.026	50	20	DDGD	
CCN1CCC(=NNC(=O)CCCNC(=O)C(C)(C)C)[C@@H](C)C1	853409314	UKUPYQIFLMYEEJ-ZDUSSCGKSA-N	324.469	1.763	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)N[C@H]1CC12CCCCC2	852237250	UNXURVGKZWBZTR-NSHDSACASA-N	306.341	1.888	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H]2CC[C@@H](C)O2)c1C	854127009	KVVXNYDRQYDSGB-PWSUYJOCSA-N	321.377	1.975	50	20	DDGD	
Cc1cc(F)ccc1C=NNC(=O)[C@@H](C)CN1CCOCC1	750934729	IAWUGMOPHBYXQV-ZDUSSCGKSA-N	307.369	1.553	50	20	DDGD	
CCCCNC(=O)NN=Cc1ccc(N2CCOCC2)cc1	920752818	QYUIQLAYJBGNDR-UHFFFAOYSA-N	304.394	1.956	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H]2CC[C@H](CN)C2)C[C@H]1Br	857106713	XRVNMPJWRBEBJH-BTQIBKBOSA-N	304.232	1.587	50	20	DDGD	
COC1(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)CCCC1	754162553	LTYSDJWAMBUUAL-LLVKDONJSA-N	324.352	1.700	50	20	DDGD	
COC(=O)N(C)CC(=O)OC[C@H](CBr)C1CC1	859508171	UMATURGMCUIEAP-VIFPVBQESA-N	308.172	1.649	50	20	DDGD	
CN1C(=O)CCc2cc(NC(=O)NNC(=O)CC3CC3)ccc21	756421548	ZJEINELFEHFBTP-UHFFFAOYSA-N	316.361	1.548	50	20	DDGD	
C[C@]1(CNC(=O)NCc2cncnc2N)C[C@H]1Br	856954241	PQXXMHDIEXAEAB-LDYMZIIASA-N	314.187	1.032	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)c1ccc2ccccc2n1	755030466	ASRQNTDSURFXAE-LLVKDONJSA-N	301.346	1.668	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H](C)N(C)C)c1C	854114387	VCAOJICZAVXNIO-JTQLQIEISA-N	308.382	1.358	50	20	DDGD	
COC[C@H](NC(=O)NC[C@@]1(C)C[C@@H]1Br)C1CC1	856842389	FUHATSHUCRCSDU-JBLDHEPKSA-N	305.216	1.884	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2CC23CCC3)c1	759687853	BXQHPFZKCPGDGL-CYBMUJFWSA-N	304.346	1.655	50	20	DDGD	
COCC[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)c1ccc(C)o1	858350998	LXEPWXSUSASGSA-LLVKDONJSA-N	321.337	1.033	50	20	DDGD	
CC1(C)Cc2cccc(NC(=O)NNC(=O)c3cn[nH]c3)c2O1	861012698	FJXCSWICVIAUFF-UHFFFAOYSA-N	315.333	1.590	50	20	DDGD	
CCC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1ccc(N)cc1	863071894	BLBCHMJRCAXEPC-ZDUSSCGKSA-N	318.421	1.467	50	20	DDGD	
COCC(=O)NN=C1CCC2(CC1)C(=O)Nc1ccccc12	761817822	OUQPRROKHHPOPP-UHFFFAOYSA-N	301.346	1.569	50	20	DDGD	
CCNc1ncc(C(=O)NNC(=S)NCCSC)s1	860540740	IKUNPMUYKSHCEL-UHFFFAOYSA-N	319.481	1.047	50	20	DDGD	
Cc1cc(=NNC(=O)CCc2nnc(C3CCCC3)o2)cc[nH]1	862513731	UTIZLTJNRHNEEX-UHFFFAOYSA-N	315.377	1.928	50	20	DDGD	
C[C@H]1CCN(S(=O)(=O)CC(C)(C)CCl)[C@H](C(N)=O)C1	867133206	XUOSNJGPXMFXHK-UWVGGRQHSA-N	310.847	1.167	50	20	DDGD	
C[C@@H](NS(C)(=O)=O)C(=O)NN=CCC[C@@H]1C[C@H]2CC[C@H]1C2	768778003	TYWWVWZSIALIMR-LPWJVIDDSA-N	315.439	1.243	50	20	DDGD	
COC(=O)c1ccc(C(=O)NN[C@H](C)C(F)(F)F)c(F)c1	862319161	XUCVSYZHRSRHKK-ZCFIWIBFSA-N	308.231	1.798	50	20	DDGD	
C[C@@H](NNC(=O)c1cc(Cn2cccn2)on1)C(F)(F)F	862319839	BFZWPJGVRPGPSR-SSDOTTSWSA-N	303.244	1.105	50	20	DDGD	
CCNC(=O)NNC(=O)c1csc(-c2ncccc2F)n1	768943638	VEBJVSPMQQOLGB-UHFFFAOYSA-N	309.326	1.308	50	20	DDGD	
Cc1ncc([C@H](C)NC(=O)NNC(=O)Cc2cccnc2)s1	868209332	AQACUWHWOHQRMO-VIFPVBQESA-N	319.390	1.481	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H]2CCN(c3ccccc3F)C2)cc[nH]1	862514105	QKLNJWFACZYHOQ-CYBMUJFWSA-N	314.364	1.921	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12	768264844	PLTXTCVLOIUDFQ-UHFFFAOYSA-N	319.346	1.371	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(C)c(F)c1F	865016284	CAXSMOGGXWBQFT-UHFFFAOYSA-N	301.293	1.254	50	20	DDGD	
N#CC1=CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1	767160742	WLDDXTFNWBONDC-UHFFFAOYSA-N	302.246	1.799	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccnn2C2CCCC2)c1	765416890	NSRFEEZXLBAAQQ-UHFFFAOYSA-N	323.356	1.945	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc2c(c(OC)c1)O[C@@H](C)C2	761659229	QPMMNNMQQQTVLG-VIFPVBQESA-N	321.402	1.314	50	20	DDGD	
O=C(NNc1cccnn1)N[C@H]1COc2ccc(Cl)cc21	762062653	YIJDUFDHMLWOLG-JTQLQIEISA-N	305.725	1.890	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)C2(CN(C)C)CC2)cc1	873804936	PSCBXYZJRKVZEX-UHFFFAOYSA-N	321.446	1.576	50	20	DDGD	
O=C(NC[C@@H]1CCCNC1=O)NNc1cccc(F)c1Cl	875664932	WZTQVEHVRYFRTR-QMMMGPOBSA-N	314.748	1.631	50	20	DDGD	
CCc1nn(C)c(OC)c1CNC(=O)NNc1cccc(C)n1	875453270	YUVXVOBTMOFDKC-UHFFFAOYSA-N	318.381	1.521	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2coc(C3CC3)n2)c1	777289015	AALCKOZBHSQFHT-UHFFFAOYSA-N	321.358	1.712	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1c(F)cc(F)cc1OC	1116099740	HDQHBUTXNVPVND-SSDOTTSWSA-N	322.333	1.329	50	20	DDGD	
CCn1c(NNC(=O)c2coc(C)n2)nc2ccccc2c1=O	776615831	WUJJFAWTFAXJBA-UHFFFAOYSA-N	313.317	1.470	50	20	DDGD	
C#CC[C@@H](NCC(=O)NNC(=O)C(C)(C)C)c1ccccc1	775403340	GGAULCOMHMCLME-CQSZACIVSA-N	301.390	1.534	50	20	DDGD	
CC1(C)CC(=NNC(=O)COc2ccc(C#N)cc2)CCO1	872329360	LZOIHBKAYCSOQL-UHFFFAOYSA-N	301.346	1.998	50	20	DDGD	
CCCc1nnc(NC(=O)NNC(=O)c2ccccc2)s1	775282654	QSEZGOXZTMDWOX-UHFFFAOYSA-N	305.363	1.957	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)C1(C)CCOCC1	873768842	HLQKJPNKHVNXSP-UHFFFAOYSA-N	323.418	1.830	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1csc(C2CC2)n1	772068221	VGYKGKXMCMAXBS-SSDOTTSWSA-N	311.363	1.123	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)COc1cc(C)ccc1C)C(C)C	770211187	AMUSJOFLLSRAOL-HNNXBMFYSA-N	308.378	1.501	50	20	DDGD	
CN1CCc2ccc(NC(=O)NNc3ncc(F)cn3)cc21	775715636	SXMATLTZMMSBQW-UHFFFAOYSA-N	302.313	1.757	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cscc1Cl	880977435	WFJZSKVKAIEQSF-NKWVEPMBSA-N	303.771	1.979	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)CCS(C)(=O)=O	774188694	OPTIOMGSDLGXKQ-UHFFFAOYSA-N	320.802	1.131	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1	887151957	QDOWKWOTYYOFIE-LSDHHAIUSA-N	300.358	1.750	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@@H](O)CCc2ccccc2)n1	773861880	FTYGPNFHFQCHNP-JTQLQIEISA-N	321.768	1.149	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)N[C@H]1C[C@H](c2ccccc2)C1	883622318	MMJOQLOWWKGWSX-JOCQHMNTSA-N	311.345	1.367	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C)c(C)c1O	772038481	WUEOQDFJJKRXHA-JTQLQIEISA-N	308.334	1.112	50	20	DDGD	
O=C1OCCN1c1ccc(OS(=O)(=O)CCCCl)cc1	881793507	OXTHQYPHLRJXQS-UHFFFAOYSA-N	319.766	1.981	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cccnn1)c1ccc(OC)cc1	882056665	BWBOJURHPYHKAP-ZDUSSCGKSA-N	314.345	1.440	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ncsc1-c1ccccc1	783890143	JVNRMNXPIAVZGK-UHFFFAOYSA-N	304.375	1.133	50	20	DDGD	
CC[C@H](C)[C@@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	780248442	YXCDGTYTCPTJDR-QWHCGFSZSA-N	320.389	1.981	50	20	DDGD	
C[C@]1(c2ccccc2)C[C@@H]1NS(=O)(=O)CBr	782456287	YCCSCVZBMMQDGH-WDEREUQCSA-N	304.209	1.988	50	20	DDGD	
COCC1(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)CCC1	785699186	AZOJBSLQRQWQBT-UHFFFAOYSA-N	315.373	1.675	50	20	DDGD	
N#Cc1ccc(NNC(=O)NCCCOCC(F)(F)F)nc1	887707983	IEHRABNTGJUZDO-UHFFFAOYSA-N	317.271	1.548	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)[C@@]1(C)CCCO1	782218836	GEFZBRSYBBDIAE-CQSZACIVSA-N	309.391	1.539	50	20	DDGD	
CCC1(O)CCC(NC(=O)NNc2ccc(OC)cn2)CC1	781013362	JTBXXFFOMXEODC-UHFFFAOYSA-N	308.382	1.800	50	20	DDGD	
CSC1(C(=O)NNC(=O)Cc2cn3ccccc3n2)CCC1	783948539	XITLXODGRAFKFQ-UHFFFAOYSA-N	318.402	1.310	50	20	DDGD	
CN(CCN1CCCC1=O)C(=O)[C@H](Br)C(C)(C)C	781088289	VURFZFJVBIBCHG-NSHDSACASA-N	319.243	1.877	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc(NC2CC2)nc1	899991850	BYKSSAULBOMMFV-UHFFFAOYSA-N	307.423	1.563	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCC(=NNC(=O)NC2CCCC2)C1	788424504	GQCJNNQNEWXURF-LBPRGKRZSA-N	301.412	1.571	50	20	DDGD	
CC(C)(C)OC(=O)NCCOCC(=O)N1CC=C(C#N)CC1	780689963	MWNQIMDQVMLBDA-UHFFFAOYSA-N	309.366	1.210	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1nc2cccnc2s1	788266049	RZQLVNOPGYYRQW-UHFFFAOYSA-N	314.326	1.472	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC[C@H](CCO)C1	787454163	UYTCIMTXWXSQJW-MKRLJBPISA-N	300.358	1.920	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)OCCC2OCCO2)c1	781139079	FBDBHSFLARENOO-UKTHLTGXSA-N	303.314	1.908	50	20	DDGD	
CC[C@H](C)[C@@H](NC(=O)COC(=O)/C(C#N)=C/C1CC1)C(=O)OC	786678266	QEKIVVAQGSABAR-JNHOHNEPSA-N	322.361	1.093	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)[C@H](F)C(C)C	784153299	CBLFKUHXVBPGPP-CYBMUJFWSA-N	314.382	1.929	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)CO1	784017377	PVXFZDJAXJNUPI-FYBHJDENSA-N	306.406	1.775	50	20	DDGD	
COC(=O)NNC(=O)[C@@H](C(C)C)N1Cc2ccccc2C1=O	891769972	FFPIYDFBZLOEQA-GFCCVEGCSA-N	305.334	1.054	50	20	DDGD	
Cc1[nH]c2ccc(F)cc2c1C=NNC(=O)C(=O)NC1CC1	782224835	DECALPWYQUHKPY-UHFFFAOYSA-N	302.309	1.344	50	20	DDGD	
N#Cc1ccc2c(c1)N(S(=O)(=O)CBr)CC2	272775848	GLXVWYZCTWOEPE-UHFFFAOYSA-N	301.165	1.603	50	20	DDGD	
COc1nccnc1NNC(=O)c1cccc2c1OCC2(C)C	790931339	NZNBJFUOENTXMG-UHFFFAOYSA-N	314.345	1.912	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CCOC[C@H]2C)cc1C	794481040	BYVRQENTXMHMRV-GFCCVEGCSA-N	303.362	1.771	50	20	DDGD	
Cc1cccnc1NNC(=O)CN(C)C(=O)c1cccs1	791225505	QIOAXHRQOHTFSX-UHFFFAOYSA-N	304.375	1.667	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)c2cccc(Cl)c2)n(C)n1	790866835	RNUOKVWXGKCBIT-UHFFFAOYSA-N	321.768	1.526	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)C(C)C)cc(-n2cccn2)c1	791968203	CHXLRGPQCKFAEJ-UHFFFAOYSA-N	317.349	1.690	50	20	DDGD	
COc1ccccc1SCC(=O)NN=C1C(=O)OC[C@@H]1C	794923603	RXTQBRBKYZRINU-VIFPVBQESA-N	308.359	1.452	50	20	DDGD	
COc1ccccc1C(=O)NN=Cc1cn(C(C)(C)C)nn1	790162570	ZAGKJHIHHAJPIM-UHFFFAOYSA-N	301.350	1.806	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CSCc2cccnc2)n1	794076350	HLDIDCYCDMGEEB-UHFFFAOYSA-N	316.386	1.479	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1cccc(C)c1F	792378672	AWLLCGYNVFQXHQ-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
CCN(CC)C[C@@H](C)NC(=O)NNc1nc2ccccn2n1	790252593	CIXVEHAPSWXRDY-LLVKDONJSA-N	305.386	1.086	50	20	DDGD	
COc1ccc(C(=O)NN=C2C(=O)Nc3cc(O)ccc32)cc1	1318982043	WESOGJMBSCOGPL-UHFFFAOYSA-N	311.297	1.487	50	20	DDGD	
CCC[C@@H](CC)S(=O)(=O)NNC(=O)c1ccc(OC)cc1	1326715857	OACLLSZDUNEVPY-CYBMUJFWSA-N	314.407	1.838	50	20	DDGD	
CCC[C@H]1C[C@@H](C(=O)NNc2nncc(N)c2Cl)CCO1	1320788467	YLIOFZDHGFDWHI-IUCAKERBSA-N	313.789	1.751	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1c(Cl)nc(OC)n1C	1326914221	CEKAOLUEOSKJNR-CLFYSBASSA-N	312.757	1.142	50	20	DDGD	
CC(=NNC(=O)c1n[nH]c2c1CCCC2)c1cn(C)c(C)n1	1321260521	ZPRSBWCGXNLNCD-UHFFFAOYSA-N	300.366	1.484	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cn(C)cc2C(F)(F)F)n[nH]1	1320208594	BVSVWDANBUMPDT-UHFFFAOYSA-N	315.255	1.150	50	20	DDGD	
CC(=NNC(=O)C[N+](C)(C)C)c1cnn(-c2ccccc2)c1C	1337172917	IFAKPRJJBFNHKG-UHFFFAOYSA-O	314.413	1.727	50	20	DDGD	
Cc1cnn(CC2CC2)c1NC(=O)NNC(=O)C1CCOCC1	1333024453	WPYDFZQQDOZCQE-UHFFFAOYSA-N	321.381	1.181	50	20	DDGD	
C=C(CC)C(=O)NNC(=O)Cn1c(CC)nc2ccccc21	1263701085	QZRNWWNGJXAVDD-UHFFFAOYSA-N	300.362	1.712	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCCC2)nc1)C1CCOCC1	1349840373	WTBNHHATEIYVDM-UHFFFAOYSA-N	302.378	1.559	50	20	DDGD	
O=C(CCCC[C@H]1CCSS1)N1CCNC[C@@H]1CO	1263180146	FIPCBXSFSIXDLT-NEPJUHHUSA-N	304.481	1.493	50	20	DDGD	
CC[C@H](C)[C@H](C)NC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1347939597	BXORWWXVWBIUJE-AVWBDOJWSA-N	319.243	1.827	50	20	DDGD	
COc1ccc(C(=O)NN=C2CCCc3nc(N)ncc32)cc1	1343873615	XGSQTLFRBMSEEB-UHFFFAOYSA-N	311.345	1.538	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@@](C)(OC)C2CC2)cc1	1261215940	WKUWBCLNCYIMRK-MRXNPFEDSA-N	321.377	1.454	50	20	DDGD	
Cc1c(F)cccc1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1345243912	WCIZGMZFSIOUKV-UHFFFAOYSA-N	316.336	1.811	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1nc(C2CC2)n(-c2ccccc2)n1	1350778807	RIMZMAKZSWPSHD-NSHDSACASA-N	315.377	1.102	50	20	DDGD	
O=C(NCC1(C(=O)O)CC1)NNC(=O)c1cccc(Cl)c1	1601469576	WXVHVNZUWWMALJ-UHFFFAOYSA-N	311.725	1.149	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@]2(C(=O)O)CC2(C)C)ccc1C	1604375868	CJSQFUZNMJHYNF-INIZCTEOSA-N	320.345	1.726	50	20	DDGD	
Cc1cc([N+](=O)[O-])cc(C(=O)NNc2cccc(C(=O)O)c2)n1	1600304329	MYPVHMPUVUMILW-UHFFFAOYSA-N	316.273	1.753	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H](NC(N)=O)C(C)(C)C)cc1C(=O)O	1600462154	FGKIAFUOYHTNPF-NSHDSACASA-N	322.365	1.219	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)CCN2CC[C@@H](F)C2)cc1	1602127150	HNWJZLQRVXBNOM-GFCCVEGCSA-N	309.341	1.191	50	20	DDGD	
C#CCCCC(=O)NN=Cc1ccccc1O[C@H](C)C(=O)O	1602701211	BPOIBLLHCRAJJI-GFCCVEGCSA-N	302.330	1.792	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)C(=O)c1ccc(F)cc1	1605821115	SUTSBOCMPKCCTQ-UHFFFAOYSA-N	303.249	1.245	50	20	DDGD	
N#Cc1ccc(NNC(=O)NCCCCCCC(=O)O)nc1	1601108057	ZCZJCPMRPOSYSR-UHFFFAOYSA-N	305.338	1.614	50	20	DDGD	
N#Cc1ccc(NNC(=O)Nc2ccc(C(=O)O)c(F)c2)nc1	1601107794	LAZIXJRZGJNUMY-UHFFFAOYSA-N	315.264	1.939	50	20	DDGD	
COc1cccc(NNC(=O)Nc2ccc(C(=O)O)cn2)n1	1607326357	ZASKPUGESQJNKV-UHFFFAOYSA-N	303.278	1.332	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1ccncc1	1603019783	QKEQXUSVKOCAQC-JTQLQIEISA-N	309.333	1.509	50	20	DDGD	
O=C(O)c1coc(C(=O)NNC(=O)c2c[nH]c3ccccc23)c1	1602550330	AWNJXFFCLUZXJX-UHFFFAOYSA-N	313.269	1.534	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2nc(-c3ccccc3)no2)[nH]1	1610822355	FYXFKIWRPJOWLN-UHFFFAOYSA-N	313.273	1.520	50	20	DDGD	
O=S1(=O)C[C@H](I)[C@H](OCC2CC2)C1	158084575	XYESYBHZRNFPGR-JGVFFNPUSA-N	316.160	1.014	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@@H]2CSCCN2)c1C	1578878094	OUJSHDOPSPWUKZ-LLVKDONJSA-N	323.418	1.320	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H](N)CCCC#N)c1ccccc1	1576938703	KQFWEQZTYIWRKB-KBPBESRZSA-N	302.378	1.349	50	20	DDGD	
Cn1c(=NNC(=O)[C@H]2CC[C@H]2C(=O)O)sc2ccccc21	1574446711	WCZHYXACNFJECV-DTWKUNHWSA-N	305.359	1.283	50	20	DDGD	
CSCC[C@H](N)CC(=O)NNc1cnc2ccccc2n1	1579382113	VDWOVQUHUSMZEB-JTQLQIEISA-N	305.407	1.543	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)CCC#N)C1	1842812067	LWCPEWSICXVUQO-GFCCVEGCSA-N	311.813	1.901	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)Cc1ccncc1	1599377159	MQCPYDXVDQRQRM-UHFFFAOYSA-N	301.302	1.474	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NN=C1CC[C@H](C(=O)O)C1	1593651042	GLXFKZSEFBXZDH-UWVGGRQHSA-N	308.309	1.950	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)/C=C\c1cccnc1	1599377016	IJKHGLWYOZAYMF-DAXSKMNVSA-N	313.313	1.945	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](C(=O)O)C2CC2)c([N+](=O)[O-])c1	1594105342	IUEIYPADQPKLDE-LLVKDONJSA-N	309.278	1.157	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1c[nH]c2ccc(C(=O)O)cc12	1594643198	RQZMLWXPZMUYCU-JOYOIKCWSA-N	315.329	1.741	50	20	DDGD	
Cc1c(/C=C(/C#N)c2nnc(C3CC3)o2)cc(-c2nn[nH]n2)n1C	1591817821	RNZUEZNVIGLVPP-WZUFQYTHSA-N	322.332	1.838	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2ccnc(C(=O)O)c2)n1	1594301084	HVECJJDYVJUKJR-UHFFFAOYSA-N	302.294	1.335	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2cc(C(=O)O)no2)ccc1C	1598949065	QUMTYSIJVQABPP-UHFFFAOYSA-N	319.273	1.225	50	20	DDGD	
O=C(Cc1ccsc1)NNC(=O)[C@]1(C(=O)O)CC=CCC1	1594711852	NETTXRGCPGALAY-AWEZNQCLSA-N	308.359	1.249	50	20	DDGD	
O=C(NN=Cc1ccn([C@H]2C[C@H](C(=O)O)C2)n1)c1ccccc1	1776014740	VLFDPIJZJDPHON-MQMHXKEQSA-N	312.329	1.683	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C\c1cccn2c(C(=O)O)cnc12	1776117945	NBEURLMKHGICNQ-WMZJFQQLSA-N	304.269	1.199	50	20	DDGD	
Cn1cc(C(=O)O)cc1C=NNC(=O)COc1ccccc1F	1776020496	QZDWSUANBLJXRO-UHFFFAOYSA-N	319.292	1.392	50	20	DDGD	
COc1ccc(C(=O)O)cc1C=NNC(=O)Cc1cccnc1	1776043189	UPTVPTIEAREPJO-UHFFFAOYSA-N	313.313	1.481	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2c(C)nc3ccccn23)CCCO1	160304883	ATCMTHRUNOIIGE-UHFFFAOYSA-N	314.345	1.488	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(C(=O)NC(C)C)cc1	163048857	SVHLGTPEIXCBRS-UHFFFAOYSA-N	306.366	1.179	50	20	DDGD	
CCn1nc(C(C)C)cc1C(=O)NNC(=O)c1cc(C)n[nH]1	151173500	RZNAZEGQMKEDQN-UHFFFAOYSA-N	304.354	1.133	50	20	DDGD	
Cc1cc(Cl)cc(C(=O)NNC(=O)C(=O)N2CCCC2)c1	151210810	RAYBJZVALVXHSX-UHFFFAOYSA-N	309.753	1.032	50	20	DDGD	
COc1ccc(CCCC(=O)NNC(=O)c2cc(C)n[nH]2)cc1	153238421	WUOAWADADRUYMC-UHFFFAOYSA-N	316.361	1.511	50	20	DDGD	
Cc1ccc(C(C)(C)C(=O)NNc2nccn(C)c2=O)cc1	156254461	IXEZFWTWMYVCFA-UHFFFAOYSA-N	300.362	1.510	50	20	DDGD	
CN(C(C)(C)C(N)=O)S(=O)(=O)c1ccc(CCl)cc1	915986220	KCFACYGAEDJQFL-UHFFFAOYSA-N	304.799	1.310	50	20	DDGD	
C[C@@H](c1nccc(N)n1)N(C)NC(=O)OCc1ccccc1	859386151	FAGAHGRYHZOVOE-NSHDSACASA-N	301.350	1.893	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H](c2ccccc2)C1	103518569	BVAGCCYDHNMQBY-MRXNPFEDSA-N	324.384	1.854	50	20	DDGD	
O=C(CCCOCc1ccccc1)NNC(=O)N1CCOCC1	50628954	YBSOYTHDZMOGLC-UHFFFAOYSA-N	321.377	1.056	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1ccccc1Br	104328677	LZYCZQFLEWBTQV-UHFFFAOYSA-N	300.156	1.342	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])c[nH]2)c1	24120553	BYHQFWIDWIFHFE-UHFFFAOYSA-N	317.305	1.064	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2CCC[C@@H](N(C)C)C2)n1	176575408	XIPUISKBRYNSKP-QWHCGFSZSA-N	306.414	1.592	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)c1ccc(F)cc1F	118052260	DDKOMFZGVBUOOZ-MRVPVSSYSA-N	323.303	1.404	50	20	DDGD	
Cc1nn(C(F)F)c(C)c1CC(=O)NNC(=O)c1ccccc1	65504309	OEYLEXWMYLNPLP-UHFFFAOYSA-N	322.315	1.899	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(F)cc2nc(C)c(C)nc12	65189369	KXXKVRVDJQBEGX-UHFFFAOYSA-N	305.313	1.350	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H](C)OC[C@H]1CCCCO1	66308054	GCOCWUMKVYGVOR-UONOGXRCSA-N	320.389	1.730	50	20	DDGD	
COC1CCN(C(=O)NNC(=O)c2ccc(C#N)cc2)CC1	60995701	AVRLNZRJCMVBIQ-UHFFFAOYSA-N	302.334	1.023	50	20	DDGD	
CC(=O)NNC(=O)CSc1nccn1-c1cc(C)ccc1C	25741790	KERSRFKQOPIUIG-UHFFFAOYSA-N	318.402	1.749	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCCOC1	171024978	VVUXPLYQEJAFPU-WDEREUQCSA-N	310.325	1.167	50	20	DDGD	
CC(C)(C)NS(=O)(=O)c1ccccc1NNC(=O)C1CC1	114887952	XYPNPNCAIYKAAH-UHFFFAOYSA-N	311.407	1.617	50	20	DDGD	
CCNC(=O)CCCC(=O)NNc1cc(F)c(F)cc1F	115718703	CZZQMVADISJDMU-UHFFFAOYSA-N	303.284	1.853	50	20	DDGD	
COc1ccc(OC)c(C(=O)NNc2ccc(Cl)nn2)c1	117064052	JUNSKPUWLVPPMH-UHFFFAOYSA-N	308.725	1.904	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(OC(F)F)c(OC)c1	21770131	ARBMHEVPXIPVPT-UHFFFAOYSA-N	304.249	1.688	50	20	DDGD	
CCCc1ncc(C(=O)NNC(=O)NCc2ccco2)s1	173260347	LOXURTIEVUQETJ-UHFFFAOYSA-N	308.363	1.833	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(C(=O)N(C)C)cc2)nc(C)n1	129116079	WXWVOUZPDLDDHY-UHFFFAOYSA-N	313.361	1.552	50	20	DDGD	
C=C1c2ccccc2C(=O)N1CC(=O)NNC(=O)C(C)(C)C	77219901	JHEWVEPCGXDWDH-UHFFFAOYSA-N	301.346	1.307	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccnn1Cc1ccccn1	183412706	OCELVNIEZBIWBQ-LLVKDONJSA-N	316.365	1.525	50	20	DDGD	
COC[C@@H](C)NC(=O)NNC(=O)Cc1ccc2ccccc2c1	79115510	NHDAGDJPZVJTMT-GFCCVEGCSA-N	315.373	1.748	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)CC2CCCC2)c1F	125850725	LENHXZBMPMYLJC-UHFFFAOYSA-N	321.352	1.800	50	20	DDGD	
CC(=O)NNC(=O)Nc1nnc(Cc2cccc(F)c2)s1	181972846	JQWQZYJFVNYBIH-UHFFFAOYSA-N	309.326	1.441	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNc1nc2ccccc2c(=O)n1C	189799913	KZUIIYFZIUWXFQ-UHFFFAOYSA-N	311.345	1.337	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)CSC(F)(F)F)n1	182794274	KHFLNLUZHAMQAR-UHFFFAOYSA-N	301.681	1.408	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1ccc2nc[nH]c2c1	76453534	LQHZQPMMDVWJCA-UHFFFAOYSA-N	321.300	1.765	50	20	DDGD	
CC(C)(C)c1ncc(NC(=O)NNC(=O)c2cccnc2)cn1	184633058	RWKCKJMONGBBCV-UHFFFAOYSA-N	314.349	1.636	50	20	DDGD	
CCCCC[C@H](C(=O)NNC(=O)C(=O)N1CCCC1)C(C)C	130777087	MANQFSQSPPVBIH-ZDUSSCGKSA-N	311.426	1.609	50	20	DDGD	
COCCC1(C(=O)NNc2nc3ccccn3n2)CCCC1	191929930	GJKXZSRNZUVXPH-UHFFFAOYSA-N	303.366	1.769	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cccnc1-n1cccn1	194348264	SXTMOQIXCKANNH-UHFFFAOYSA-N	303.322	1.437	50	20	DDGD	
CCc1c(C(=O)NNc2nccnc2OC)[nH]c(C)c1C(C)=O	131928994	APZIIGYRLPYEJS-UHFFFAOYSA-N	317.349	1.644	50	20	DDGD	
CN(C)c1cc(C(=O)NNC(=O)CCc2ccccc2)ccn1	194772829	XAWVWSDFTFPQQI-UHFFFAOYSA-N	312.373	1.541	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NNC(=O)NCc1ccc(Cl)cc1	191608655	FCYBOXFNWILGHS-VXGBXAGGSA-N	311.769	1.595	50	20	DDGD	
CC(=O)CCCC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	192898330	FYJSXIGGXSXTSZ-CQSZACIVSA-N	320.389	1.977	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cc(F)c(O)c(F)c1	191912559	QCBJCZMKXLVXOZ-UHFFFAOYSA-N	305.244	1.470	50	20	DDGD	
C[C@H]1CC(NC(=O)NNC(=O)Cc2ccncc2)C[C@H](C)C1	83232706	KRZDZLLSLWCSKA-VXGBXAGGSA-N	304.394	1.779	50	20	DDGD	
CSc1ccc(O[C@@H](C)C(=O)NNC(=O)NC2CC2)cc1	265856497	GUSCUWWMQMHVHL-VIFPVBQESA-N	309.391	1.669	50	20	DDGD	
Cc1cc(NNC(=O)CCCNC(=O)OC(C)(C)C)nc(C)n1	265578371	XXCJVBAWZWOIKB-UHFFFAOYSA-N	323.397	1.841	50	20	DDGD	
COc1ccc(Cl)cc1NCC(=O)NNC(=O)NC(C)C	263884465	RISQCYAVUJLKKX-UHFFFAOYSA-N	314.773	1.499	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)c2c[nH]c(C)n2)cc1OC	264773098	VQWMVAJYNDSAQW-UHFFFAOYSA-N	318.333	1.200	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)C1CCC1)C(=O)c1cccc(F)c1	266812305	GHFHYDNARXLEBL-JTQLQIEISA-N	306.337	1.982	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@@H](C)CSC	265488004	UTEHITFOHMSDLO-JTQLQIEISA-N	311.407	1.320	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2)n1	269074002	WAEUQBRUZZAPGW-TUAOUCFPSA-N	305.382	1.157	50	20	DDGD	
O=C(CS[C@@H]1CCS(=O)(=O)C1)NNc1ccccc1F	269601965	YYJAHUSDKUBCIK-SECBINFHSA-N	318.395	1.189	50	20	DDGD	
CC(=O)NNC(=O)Nc1cccc(COCCOC(C)C)c1	273188507	ILRNSTDYSQOOTE-UHFFFAOYSA-N	309.366	1.801	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc(C)c(C)s1	278652912	ORVDQMYXVBYQSU-UHFFFAOYSA-N	314.407	1.915	50	20	DDGD	
COc1ccc(C(=O)CC(C)(C)CC(=O)NN(C)C(N)=O)cc1	273952706	YJMNQRNLPZKCHI-UHFFFAOYSA-N	321.377	1.726	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)CC(C)C)cc1F	273464366	RAXRJVNKTFNSCF-UHFFFAOYSA-N	311.313	1.811	50	20	DDGD	
Cc1noc(CCCNC(=O)NNc2cc(Cl)ccn2)n1	272407733	KSPQOHNUYXPWES-UHFFFAOYSA-N	310.745	1.685	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)Nc1ccn(CC(N)=O)n1	274314525	GQRBHRNSPODGLT-SECBINFHSA-N	317.187	1.117	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cnn(CC(C)C)c1	273029359	XUPZKVMZLANYJT-UHFFFAOYSA-N	300.362	1.922	50	20	DDGD	
CN(NC(=O)COc1ccccc1OCC(F)(F)F)C(N)=O	271247255	CVQHLDUYTSBMCM-UHFFFAOYSA-N	321.255	1.048	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC[C@@H]2CCO[C@@H](C)C2)o1	273046851	FRLRFUMLFYLCLF-NWDGAFQWSA-N	309.366	1.737	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H](Br)C(C)(C)C)n1	272625773	SGGACUVCYKBQRM-MRVPVSSYSA-N	317.187	1.738	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNc1nc2ccccc2c(=O)n1CC	279188345	JFSBMKTWDXQLQW-MRXNPFEDSA-N	316.361	1.187	50	20	DDGD	
COC(=O)NNC(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1	376950194	QRPFJBJTJIYZHI-ZDUSSCGKSA-N	319.361	1.234	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2CN(C(=O)OC(C)(C)C)C2)o1	273084093	JPTWHYCLHZCNBB-UHFFFAOYSA-N	323.349	1.216	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1	285776252	AMWHPVDXEXZUDM-AWEZNQCLSA-N	323.368	1.910	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2cccc(F)n2)CCCC1	286565294	KZWGXOGSORVZFR-UHFFFAOYSA-N	301.343	1.021	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)Nc1ccccc1C	285995656	PZLFCDKOVXBDPV-CQSZACIVSA-N	318.377	1.549	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)CCN(CC)CC)[C@H]1SC	807955883	IDHRJTHAQBMNEF-TZMCWYRMSA-N	301.456	1.731	50	20	DDGD	
CCOC(CCNC(=O)NNc1ncc(F)cc1F)OCC	298439377	SRMAZQAPKKKRGW-UHFFFAOYSA-N	318.324	1.775	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C(C)c1cn(C)c(C)n1	800805214	RIIDCIUZKFSLSH-UHFFFAOYSA-N	315.377	1.689	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H](C)CO[C@H]2CCOC2)cc1	297966777	NKRAPETXRFIJTB-WFASDCNBSA-N	323.393	1.905	50	20	DDGD	
O=C(NNc1ccncn1)[C@@H]1CCN(c2ccccc2F)C1	295375420	DVUYJSBQHWKPCT-LLVKDONJSA-N	301.325	1.585	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNc2ccc(-n3ccnc3)nn2)CCC1=O	804953242	IKOJBSDFSQUWQP-MNOVXSKESA-N	314.349	1.111	50	20	DDGD	
COCCOc1cncc(C(=O)NNc2ccnc(F)c2)c1	801185933	FGCJYWZTLOYTNX-UHFFFAOYSA-N	306.297	1.398	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1csc2c1CCCC2	295659924	VUZZSWWWOQCSJE-LBPRGKRZSA-N	308.403	1.957	50	20	DDGD	
O=C(NNC(=O)c1cnc[nH]1)Nc1ccc(OC(F)F)cc1	802046254	HCOFDEHXSDHPOG-UHFFFAOYSA-N	311.248	1.478	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H]1CCOc2ccccc21	802033726	LJUUJYIBGVPDBW-CYBMUJFWSA-N	312.329	1.223	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)OC(C)(C)C)cc1O	298703167	DWKORJSENIUUML-UHFFFAOYSA-N	311.338	1.640	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CSC[C@@H]2C)cc1	807475497	FHZKOGAZDMVVHV-AAEUAGOBSA-N	323.418	1.456	50	20	DDGD	
CC[C@H](C)CC[C@@H](O)CC(=O)NNC(=O)N=c1cc[nH]cc1	802025722	DRRGQMKOUZERJE-WCQYABFASA-N	308.382	1.234	50	20	DDGD	
CCCCOCC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802122602	VBKPLXHJVLMABS-UHFFFAOYSA-N	308.382	1.722	50	20	DDGD	
COCCCOc1ccc(C(=O)NNc2ncccn2)cn1	299642604	VKGWHIFFQNQUML-UHFFFAOYSA-N	303.322	1.044	50	20	DDGD	
COc1ccc(CC(=O)NNc2ncccc2[N+](=O)[O-])nc1	807061596	UVHQCXGAVFAZKB-UHFFFAOYSA-N	303.278	1.079	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2cccc3ccn(C)c23)O1	297899424	SKDPYHMOYNQTHR-GWCFXTLKSA-N	316.361	1.899	50	20	DDGD	
Cn1ccnc(NNC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)c1=O	806998097	QWIZUDQSHQYWJR-JHJVBQTASA-N	304.394	1.830	50	20	DDGD	
CC(C)(C)[S@](=O)CCNC(=O)NNc1ncc(F)cc1F	297418793	YFGWAZBHAWGZDR-OAQYLSRUSA-N	320.365	1.533	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1F	801864812	TZCZTCFTLPSWSN-UHFFFAOYSA-N	307.228	1.226	50	20	DDGD	
O=C(NNc1cnccn1)[C@H]1CCN(c2ccccc2F)C1	291193725	GFTHOXJFUBHPNK-NSHDSACASA-N	301.325	1.585	50	20	DDGD	
CC(C)CN1CC[C@H](CNC(=O)NNc2ncncc2F)C1	293112870	UHLPGFJOXVHGCM-LLVKDONJSA-N	310.377	1.220	50	20	DDGD	
Cc1cc(Cl)cc2c1OCC2=NNC(=O)N1CCN(C)CC1	814912477	ULGYTLDPARSYCJ-UHFFFAOYSA-N	322.796	1.702	50	20	DDGD	
CCn1ncc2cc(C(=O)NNc3ncncc3F)c(C)nc21	817081580	GGUYUTDNUSFVID-UHFFFAOYSA-N	315.312	1.446	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1ccccc1-n1ncc(C#N)c1N	819734581	WSTVVGWOBYGDFX-BENRWUELSA-N	322.328	1.709	50	20	DDGD	
COc1ccc(CC(C)=NNC(=O)CN(C)C)c(C)c1OC	814832367	MUAKZDVITGWCMR-UHFFFAOYSA-N	307.394	1.608	50	20	DDGD	
Cc1cccc(OCCNC(=O)NNc2ncncc2F)c1	813840340	VYRJJNKWFOYOAU-UHFFFAOYSA-N	305.313	1.629	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=Cc2c(Cl)nc(N)n2C)c1	814733104	LULRIONNLRDWHV-UHFFFAOYSA-N	320.784	1.486	50	20	DDGD	
Cn1nncc1NNC(=O)[C@@H](OC(C)(C)C)c1ccccc1	816771904	FSBHKOVFBOUSDD-ZDUSSCGKSA-N	303.366	1.815	50	20	DDGD	
C=CCCCC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	819734350	MQLSUFNKAWUAQS-UHFFFAOYSA-N	305.342	1.778	50	20	DDGD	
CC1CC(=NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1	814725731	NWTXWPVRHYHQEO-UHFFFAOYSA-N	309.391	1.453	50	20	DDGD	
CC(C)(O)CN1CCC(=NNC(=O)NCC(F)(F)F)CC1	814217991	BSLBAOSTIJWAKK-UHFFFAOYSA-N	310.320	1.071	50	20	DDGD	
COc1ccc(CC(=O)NNc2ncncc2F)cc1OC	817083001	RQMJZGTTYWZRTE-UHFFFAOYSA-N	306.297	1.319	50	20	DDGD	
N#Cc1cccc(NNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1	729618581	JTDNCNFYRDXMHS-CABCVRRESA-N	315.377	1.048	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)c1	822200636	UDKSUHNVBQQEEX-ZETOZRRWSA-N	318.373	1.901	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@H]1c1cccc(F)c1	827290712	YKKCXVSWOGKDRF-BPNCWPANSA-N	321.352	1.738	50	20	DDGD	
Cc1noc([C@@H](C)NC(=O)NNC(=O)Nc2ccccc2C)n1	726277441	BOSMFTNPEZIMQO-SECBINFHSA-N	318.337	1.783	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(C)c(OCC(=O)O)c(C)c1	829513749	POCMUBFFASGUOS-UHFFFAOYSA-N	323.349	1.121	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NN=Cc2cnc[nH]2)C1	495717906	CBVZAYKKQCYFMD-LLVKDONJSA-N	321.381	1.507	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)C)c(Cl)c1Cl	825709505	WRWZOCBQHGLOSN-UHFFFAOYSA-N	304.177	1.624	50	20	DDGD	
C=CC(C)(C)C(=O)NNC(=O)c1cc(Br)c[nH]1	822234251	KQHXWKJOHVPLAH-UHFFFAOYSA-N	300.156	1.750	50	20	DDGD	
CN(NC(=O)Nc1ccc(CN2CCOC2=O)cc1)C1CC1	496223898	FQOUMMLAOSFOAW-UHFFFAOYSA-N	304.350	1.770	50	20	DDGD	
CCCNC(=O)NN=C[C@@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2	497021118	XAJRQDUAUXQQNE-XHDPSFHLSA-N	310.398	1.938	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(C)(C(=O)NNc2ccccn2)C1	496594217	YDZUYXOKRHGLPD-UHFFFAOYSA-N	306.366	1.782	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](c1ccccc1)C(OC)OC	491133834	QIWUCNMENWOLOL-YPDDLIOESA-N	304.346	1.907	50	20	DDGD	
CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NNc2ccccn2)C1	492721638	DQEAVQABIFNRNH-LLVKDONJSA-N	318.377	1.782	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1ccc(-n2cccn2)cc1	728786001	BLZHPZQTAYAWAW-UHFFFAOYSA-N	305.341	1.960	50	20	DDGD	
C[C@H](Cc1cncc2ccccc12)C(=O)NN(C)[C@H](C)CO	823924000	XBPJRWIHBOYDDJ-CHWSQXEVSA-N	301.390	1.757	50	20	DDGD	
Cc1ccc(/C=C(/C#N)C(=O)OCCCS(C)(=O)=O)cc1	728614389	AUUUOBHMBHOWBI-UVTDQMKNSA-N	307.371	1.880	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc2nc(O)n(C(C)C)c2c1	823950107	CNSTXXDGTWRXDU-UHFFFAOYSA-N	319.365	1.677	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cocn2)ccc1OC(C)C	729298915	GYMCWBWEYGXGIH-UHFFFAOYSA-N	319.317	1.545	50	20	DDGD	
CCc1ccc(NC(=S)NNC(=O)C2CCOCC2)cc1	905569443	SIBJCUHXMVLQTM-UHFFFAOYSA-N	307.419	1.993	50	20	DDGD	
C#CCC[C@@H](O)CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	490871673	AKSRIZOUMXYUTM-SNQWNFELSA-N	310.357	1.003	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cc[nH]n2)n(C(C)(C)C)n1	820152606	BRTQTSSIBBTRSQ-UHFFFAOYSA-N	305.342	1.136	50	20	DDGD	
CC(C)(C)OC(=O)N(CC=NNC(=O)C(C)(C)O)C(C)(C)C	492454200	DNXQTSDDCDPNPC-UHFFFAOYSA-N	315.414	1.895	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)c1cccc2cccnc12	822877619	ADVBZUAMKFKXIS-CYBMUJFWSA-N	301.346	1.811	50	20	DDGD	
CCOC(=O)N[C@@H](C(=O)NNC(=O)CC1CCCC1)C(C)C	490917230	SAMNXWOZXJBNRZ-CYBMUJFWSA-N	313.398	1.485	50	20	DDGD	
O=C(N1CC[C@@H](B(O)O)C1)[C@@]12CC[C@@H](C[C@@H]1Br)C2	585065768	KBPKEBQBFXNHQR-MIZYBKAJSA-N	316.004	1.015	50	20	DDGD	
COc1cc(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)ccc1C	825891545	ZGSKGJBHYNBVLN-AAEUAGOBSA-N	321.377	1.259	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CCCN2C(C)C)c(F)c1	822244413	YTFWMCLYOKKZSH-CQSZACIVSA-N	323.368	1.928	50	20	DDGD	
CCCN(C)CC(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	730103703	HIWVHUJHBSTGHE-UHFFFAOYSA-N	315.377	1.180	50	20	DDGD	
O=C(CN1CCC[C@@H](F)C1)NNC(=O)c1cccc(Cl)c1	902995051	BHQXHWIYFRGWSJ-GFCCVEGCSA-N	313.760	1.535	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1c2ccccc2N(C)CC[C@@H]1C	828338995	VQQHPKHWBRUSFZ-ZDUSSCGKSA-N	318.421	1.525	50	20	DDGD	
CSc1cc(C)ccc1CNCc1ccccc1B(O)O	585031422	UPRKHZBMCRXSRV-UHFFFAOYSA-N	301.220	1.687	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2ccc3c(c2)OCO3)CCCCO1	837312026	YCJFOKXFGATCNK-OAHLLOKOSA-N	306.318	1.136	50	20	DDGD	
COc1cc(OC)c(C=NNC(=O)c2c[nH]nc2C)c(OC)c1	735410498	ILHXFQUEGXZKNW-UHFFFAOYSA-N	318.333	1.508	50	20	DDGD	
Cn1cc(-c2nc(C(=O)NNc3cnccn3)cs2)cn1	734244698	ZJGSQIYSLJTYRP-UHFFFAOYSA-N	301.335	1.091	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)C(=O)NNC(=O)c1cccc(Cl)c1	837309819	WYXMAYBZQOMDKD-JTQLQIEISA-N	320.780	1.713	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](Cc2ccccc2)C1	732201581	GYWJHEOHSPZKKQ-ZBFHGGJFSA-N	317.433	1.887	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1c(F)cc(F)cc1F	831505525	CWLNWJWPJCRZFU-XPUUQOCRSA-N	317.267	1.682	50	20	DDGD	
COC(=O)C[C@@H](NS(=O)(=O)CCl)c1ccc(F)cc1	830181386	OCKJKCRVTVWVHK-SNVBAGLBSA-N	309.746	1.546	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n(C(C)(C)C)n1	831330467	DLHWUQFEKCMOLB-MNOVXSKESA-N	323.397	1.524	50	20	DDGD	
CCc1noc(CCCC(=O)NNc2ccc(Cl)nn2)n1	735689135	OMSWHTRYCFGYQR-UHFFFAOYSA-N	310.745	1.541	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCc3ccccc3O2)o1	839699604	LEBJKKYDHYKIBW-AWEZNQCLSA-N	300.314	1.743	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cc(C(=O)O)no1)c1ccccc1	833411784	OOMREEKGVLMEDG-UHFFFAOYSA-N	317.301	1.112	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNc1ccc(C(=O)OC)c(F)c1	837052046	VCDQJZLMTGBUJS-AWEZNQCLSA-N	323.368	1.930	50	20	DDGD	
O=C(NCB(O)O)c1csc(-c2ccc(F)c(Cl)c2)n1	585062162	CHFRHRUAXBPYCJ-UHFFFAOYSA-N	314.534	1.344	50	20	DDGD	
Cc1ccccc1C1=NO[C@@H](C(=O)NNC(=O)C(C)(C)C)C1	906215012	VIIDROCSEUSKNE-CYBMUJFWSA-N	303.362	1.682	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)N2CC[C@H](B(O)O)C2)c1	585070695	CSFXBTCDKQMDQF-ZDUSSCGKSA-N	305.183	1.573	50	20	DDGD	
C=CC(=O)N(CC)CC(=O)NNc1ncc(Cl)cc1Cl	907476620	HUPSHFKSQKDGSD-UHFFFAOYSA-N	317.176	1.866	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1sccc1-c1nn[nH]n1	738136452	FHDKKINHKRUWST-UHFFFAOYSA-N	322.741	1.129	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(OC(F)F)c(Cl)c1	900386497	XVLTUPPTVRVHOI-UHFFFAOYSA-N	307.684	1.905	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCC(C)(C)CC#N	838753861	SODGQUCMRKQXLB-UHFFFAOYSA-N	304.350	1.579	50	20	DDGD	
Cc1cc(C)c(CNC(=O)NNc2nc(C)cc(C)n2)cn1	836654344	LFTZPPHMVOOGKB-UHFFFAOYSA-N	300.366	1.932	50	20	DDGD	
CC(C)[C@H](NC(=O)O)C(=O)NNC(=O)CCCc1ccccc1	736376282	SVTWHFHCBCPCMR-AWEZNQCLSA-N	321.377	1.449	50	20	DDGD	
O=C(NN=C1CCCS(=O)(=O)C1)c1cc(Cl)ccc1O	731925198	SHHQYXJXTOSLDF-UHFFFAOYSA-N	316.766	1.340	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CC[C@@H]2CCOC2)ccc1F	837036251	DLIVHPGZSVJTDG-SNVBAGLBSA-N	310.325	1.872	50	20	DDGD	
O=C(c1cc(Cl)cc(Cl)c1F)N1CC[C@@H](B(O)O)C1	585066626	MNFHPZHUERYQLT-ZCFIWIBFSA-N	305.929	1.821	50	20	DDGD	
OB(O)c1cccc(-c2noc(C3(C(F)F)CCCC3)n2)c1	585052536	PPZVUXBOROLKQT-UHFFFAOYSA-N	308.093	1.493	50	20	DDGD	
C[C@H](CS(C)(=O)=O)NC(=O)NNc1ccc(F)c(F)c1	918606881	KMGYYVCAWTTXOV-SSDOTTSWSA-N	307.322	1.024	50	20	DDGD	
Cc1nn(CC(C)C)c(C)c1CCC(=O)NN(C)C[C@@H](C)O	910179784	OLLTUASTLPJRJK-GFCCVEGCSA-N	310.442	1.432	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2	917598035	WCEMRMWSZQWMDW-FXQIFTODSA-N	310.345	1.416	50	20	DDGD	
Cc1cc(NNC(=O)NCCS(C)(=O)=O)ccc1Cl	916505620	WKDZSCARTKNFGE-UHFFFAOYSA-N	305.787	1.319	50	20	DDGD	
CCOc1ncccc1CNC(=O)NNC(=O)c1ccccc1	913632488	VHRGZQZFGUKKOM-UHFFFAOYSA-N	314.345	1.625	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CNC(C)(C)c1ccc(F)cc1	744398685	NOENLWXWHWOMGO-UHFFFAOYSA-N	309.385	1.844	50	20	DDGD	
CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=O)C(N)=O)cc2C1	917359873	NUDVUOKXOHCWIP-VIFPVBQESA-N	323.418	1.145	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1ccc2c(c1)NC(=O)CO2	842554696	ILKWBEQAGZHDCZ-JQWIXIFHSA-N	317.345	1.283	50	20	DDGD	
CS(=O)(=O)/C(C#N)=C/c1cc2c(cc1OC(F)F)OCO2	741849364	WZCGPRXSDRUVOK-KRXBUXKQSA-N	317.269	1.926	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@H]2CCC[C@H]2C2CC2)n1	840394848	QJIBMHORULKCQW-RYUDHWBXSA-N	305.382	1.938	50	20	DDGD	
CC(C)NCCCNC(=O)NNC(=O)C(C)(C)c1ccccc1	841933601	FJHHJXWEPUCXPH-UHFFFAOYSA-N	320.437	1.683	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1ccc(Cl)c(F)c1	844650335	WFQMONAKFRVJBG-UHFFFAOYSA-N	309.750	1.382	50	20	DDGD	
CCCOc1cc(C=NNC(=O)C(=O)NC2CC2)ccc1OC	744828310	XUFMAVSMKLDSME-UHFFFAOYSA-N	319.361	1.213	50	20	DDGD	
CC[C@@H](C)c1nc(C)c(CC(=O)NNC(=O)C(C)(C)O)c(C)n1	847857167	DSHCPABRPTWRBL-SECBINFHSA-N	322.409	1.068	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCc1ccon1	747596324	MEMOKFZWEKXDDT-VIFPVBQESA-N	322.296	1.112	50	20	DDGD	
O=C(NNC(=O)C1(Br)CC1)c1cccc(Cl)n1	912505777	APCMRFJKTUVYHK-UHFFFAOYSA-N	318.558	1.424	50	20	DDGD	
Cc1cc(C(=O)NN(C)C[C@@H](C)O)c(C)n1-c1ccccn1	910172323	AWJNAJJIBIOPIG-GFCCVEGCSA-N	302.378	1.447	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)/C=C\c1ccc(Cl)s1	843641033	FEAQURCKVFUPKJ-RPHYXHOVSA-N	314.794	1.987	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)CCCCCCN	843436780	INQRLUOZXNKFGI-UHFFFAOYSA-N	313.423	1.442	50	20	DDGD	
C[C@@H](NS(=O)(=O)CC(C)(C)CCl)c1nccc(N)n1	918737060	AUFICGFRZQRVPD-MRVPVSSYSA-N	306.819	1.304	50	20	DDGD	
O=C(NCCCCc1ccccc1)NNC(=O)c1ccc[nH]1	916229979	FEAJNDJTCKHEDR-UHFFFAOYSA-N	300.362	1.982	50	20	DDGD	
O=C(NNC(=O)[C@H](O)C1CCCCC1)c1cccc(Cl)n1	912508621	USDFZXKCFYOWLL-GFCCVEGCSA-N	311.769	1.437	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1sc(N2CCCC2)nc1Cl	746856595	SVZJBKXUTZAUHL-UHFFFAOYSA-N	314.798	1.568	50	20	DDGD	
Cc1c(Br)cccc1CC(=O)NN(C)C[C@@H](C)O	910151924	HFAMIIRPYHBQEV-SECBINFHSA-N	315.211	1.644	50	20	DDGD	
COc1cccc(O)c1C=NNC(=O)Cc1cn2ccccc2n1	747636347	HUUYAZICDYXBBF-UHFFFAOYSA-N	324.340	1.741	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cccc(Br)c1F	910151922	HDRROHJREWHJBN-SSDOTTSWSA-N	305.147	1.546	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccnc(F)c2)cc1C	748696515	IPPCFGHVLUMHPU-UHFFFAOYSA-N	317.320	1.678	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)[C@H](O)c1ccccc1	746098754	ZKCKIWPULQIDQS-OAHLLOKOSA-N	318.304	1.086	50	20	DDGD	
CC(=NNC(=O)Cc1cn2ccccc2n1)c1ccc(N)cc1	747638800	UKEHYSMCSIQNIM-UHFFFAOYSA-N	307.357	1.999	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)[C@@]12CCC(=O)N1CCS2	748561678	YJUCNXRFIPXTRY-AWEZNQCLSA-N	309.366	1.643	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)n1ccnc1[C@@H](O)C1CCCCC1	849948182	NGMVEKNLPVWNCC-FZMZJTMJSA-N	322.409	1.615	50	20	DDGD	
CON1CCC(NC(=O)NNc2ccc(F)c(F)c2)CC1	922938683	TWGDDNYAKVCFPQ-UHFFFAOYSA-N	300.309	1.617	50	20	DDGD	
Cc1cc(C(=O)NNc2nccn(C)c2=O)c2ccccc2n1	747938515	WUDSSXQOKLPJMN-UHFFFAOYSA-N	309.329	1.394	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H]2CCCN2C2CC2)cc1	846375287	ABVQWIRCQMCYOG-HNNXBMFYSA-N	317.389	1.472	50	20	DDGD	
Cc1csc(NC(=O)NNC(=O)[C@@H]2CCCCO2)c1C#N	847186231	SQKAEZKEZCZZIB-JTQLQIEISA-N	308.363	1.650	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCn2cccn2)c1C	853742164	BWEIAUWGOUVYRO-UHFFFAOYSA-N	317.349	1.304	50	20	DDGD	
Cn1cc2c(n1)CCC[C@@H]2C(=O)NNc1ncc(Cl)cn1	857358295	SHUKPXPPKDQMRY-VIFPVBQESA-N	306.757	1.427	50	20	DDGD	
O=C(CC[C@@H]1CCOC1)NNC(=O)c1cc2c(s1)CCC2	751296907	FEFDHZIXNZPSGP-SNVBAGLBSA-N	308.403	1.815	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)COc1ccccc1OC)C1CC1	851915996	WXSURWFVOFJUJU-GFCCVEGCSA-N	321.377	1.593	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)N[C@@H]1COC(=O)C1	923746860	GACROYARLYIJHG-ZETCQYMHSA-N	321.230	1.786	50	20	DDGD	
CCC(C#N)(CC)C(=O)NNC(=O)CCOc1ccccc1	858918666	LULOKDPZXCYMON-UHFFFAOYSA-N	303.362	1.933	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2scnc2Cl)n1	753454069	DLRBNZCYAYBKGH-UHFFFAOYSA-N	305.150	1.579	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NN=Cc2cnc[nH]2)cc1	755563691	OPHVZKYKACPHSB-LLVKDONJSA-N	302.334	1.726	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cc1F	853825043	CNOOYSQAKKWEDF-LLVKDONJSA-N	306.341	1.524	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCCCc1ccco1	852681090	DKGGOJXSERMOBH-UHFFFAOYSA-N	302.334	1.180	50	20	DDGD	
C[C@@H]1CCN(C(=O)NC[C@]2(C)C[C@@H]2Br)[C@H]1CO	856955695	QQFPVYXANYOVCU-WDCWCFNPSA-N	305.216	1.572	50	20	DDGD	
CCCNC(=O)/C(C#N)=C\c1cccc(NS(C)(=O)=O)c1	853005376	QDNGIGHSKDYZLR-WQLSENKSSA-N	307.375	1.491	50	20	DDGD	
Cc1ccc2c(c1)CCC2=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	921259884	KBXSXVOBNJLJLF-GFCCVEGCSA-N	321.402	1.132	50	20	DDGD	
CCO[C@@H]1COCC[C@H]1NC(=O)NNc1ccc(C)c(F)c1	853989503	ZZJUJNPFLIZVFT-ZIAGYGMSSA-N	311.357	1.954	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccc2nc[nH]c2n1)c1ccccc1	755309941	LHKUWAZACQYEKX-GFCCVEGCSA-N	323.356	1.913	50	20	DDGD	
COC[C@]1(C)NC(=O)N(C[C@@]2(C)C[C@H]2Br)C1=O	857227137	GULRORHPORZYIN-ONOSFVFSSA-N	305.172	1.117	50	20	DDGD	
COCc1cc(C(=O)NC[C@@]2(C)C[C@@H]2Br)no1	857397768	MIYFMBQRYINDNE-GXSJLCMTSA-N	303.156	1.724	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)c2cccc(Cl)n2)c1C1CC1	857324017	ATOBZAYCKHLCIC-UHFFFAOYSA-N	319.752	1.421	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cc3c(s2)CCC3)nn1C	757756463	RAIIAAPQXJYLKD-UHFFFAOYSA-N	319.390	1.745	50	20	DDGD	
COCC(=O)NNC(=O)Nc1nnc(-c2ccsc2)s1	756183066	UXKNQDKLBCEMSI-UHFFFAOYSA-N	313.364	1.066	50	20	DDGD	
CC(=O)NCc1ccc(NC(=O)NNC(=O)CC2CC2)cc1	756551474	BYDBMSKGJGXDLF-UHFFFAOYSA-N	304.350	1.276	50	20	DDGD	
CCc1cnc(NC(=O)C(=O)NNc2nc(C)cc(C)n2)s1	756153536	ITIKSOJENWHFAM-UHFFFAOYSA-N	320.378	1.194	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H](CO)CC(F)F)C[C@H]1Br	856954871	KYRNBPVXBATOCR-BRDIYROLSA-N	315.158	1.475	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cc(C)[nH]n2)c(Cl)n1	757687915	UPNQKKJDACJXRJ-UHFFFAOYSA-N	324.728	1.242	50	20	DDGD	
CC[C@H]1COCC1=NNC(=O)c1cc(Br)c[nH]1	853283760	BXEWTRUDWJDVKG-ZETCQYMHSA-N	300.156	1.919	50	20	DDGD	
Cc1cc(C[C@@H](C)NC(=O)NNc2ncc(Cl)cn2)n[nH]1	856879013	GXIAGDOEQALJNL-SSDOTTSWSA-N	309.761	1.419	50	20	DDGD	
CO[C@@H](C(=O)NNC(=S)N[C@H](C)C1CC1)c1ccccc1	855098399	HBPOGRLEKDIFCV-ZWNOBZJWSA-N	307.419	1.668	50	20	DDGD	
C#C[C@@H](CC)NC(=O)NNC(=O)COc1ccc(C)c(C)c1	854069730	XPGNARRWJGWJRX-ZDUSSCGKSA-N	303.362	1.424	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)[C@H]1CCCS(=O)(=O)C1	855466047	GDKFUZVODAAFFW-QMMMGPOBSA-N	303.771	1.003	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc2nc(O)[nH]c2c1)C1CC1	855102095	GJMOCTGPZGDELO-SSDOTTSWSA-N	319.390	1.176	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)C(C)(C)C)c1nccn1C	853407852	XZORGZFGJISDNV-UHFFFAOYSA-N	307.398	1.203	50	20	DDGD	
COc1ccccc1NCC(=O)NN=Cc1cnc2ccccn12	755505332	RWJGGMRIVTTYGU-UHFFFAOYSA-N	323.356	1.905	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CCCCO2)cc(Cl)n1	934206857	GCJYCVSPHKTHTD-JTQLQIEISA-N	312.757	1.765	50	20	DDGD	
COc1nnccc1NC(=O)NNCC(F)(F)C(F)(F)F	861121981	UKYVWDPUMNMKSM-UHFFFAOYSA-N	315.202	1.309	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1ccc(F)c(Cl)c1	862096138	SWJUZAAOVVADBN-SCZZXKLOSA-N	314.744	1.594	50	20	DDGD	
NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1nc2ccccc2[nH]c1=S	862293154	OCGHDZMCTWHHER-SFYZADRCSA-N	317.374	1.247	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(OC)nc1Cl	930390380	XHOIDYLTMBZUOS-UHFFFAOYSA-N	310.741	1.700	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=Cc1cccc(OC2CCCC2)c1	863187998	LEQTUDVVEUDRJL-UHFFFAOYSA-N	324.402	1.503	50	20	DDGD	
Cc1nc(-c2ccc(NCc3cccc(B(O)O)c3)cc2)n[nH]1	864030955	RTKQANRAODLFDF-UHFFFAOYSA-N	308.150	1.072	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2csc(O)n2)c1	769675278	SXYHDJDXPFHBIZ-UHFFFAOYSA-N	321.358	1.306	50	20	DDGD	
N#Cc1cccc(NNC(=O)NCC2(N3CCOCC3)CC2)c1	765641842	NLCAPXYCMYRMCS-UHFFFAOYSA-N	315.377	1.049	50	20	DDGD	
O=S(=O)(CCc1ccc2c(c1)CCO2)NCC(Cl)Cl	867469270	BKPRTOWZBRHLCY-UHFFFAOYSA-N	324.229	1.887	50	20	DDGD	
Cc1ccc(-c2ncco2)cc1NCc1ccc(B(O)O)cc1	864031043	SWDUPNVVAWVWCX-UHFFFAOYSA-N	308.146	1.942	50	20	DDGD	
COCCOCC(=O)NNC(=S)Nc1ccc(C)cc1C	865244981	XLVFINYVVRFNQM-UHFFFAOYSA-N	311.407	1.284	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2cnc3[nH]cnc3c2)c1	768711767	TZJDHUNKKPHAGR-UHFFFAOYSA-N	313.708	1.635	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@H]1CCCN(CC(F)F)C1	867043328	IXWSBSURRJVGJN-QMMMGPOBSA-N	303.288	1.036	50	20	DDGD	
COc1ccc(C=NNC(=O)C(=O)Nc2ccccn2)s1	763180600	YHPVNECQOLXROB-UHFFFAOYSA-N	304.331	1.241	50	20	DDGD	
CC(=O)OCCc1cccc(NC(=O)NNC(=O)CC(C)C)c1	764713548	VYVZEFSZJYUFOX-UHFFFAOYSA-N	321.377	1.991	50	20	DDGD	
Cc1cc(C=NNC(=O)C(=O)Nc2ccccn2)c(C)s1	760258926	DXNXZBSZLMKKJJ-UHFFFAOYSA-N	302.359	1.849	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C\c1cccc(NC(C)=O)c1	864364708	GXOVBDWYEUGTHY-DKTFCQPKSA-N	301.346	1.703	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C(=O)NNc2ncc(F)cn2)c1C	762090807	QXDXISDBYPKDMQ-UHFFFAOYSA-N	321.312	1.494	50	20	DDGD	
Cc1nc([C@H]2CCOC2)sc1C(=O)NNc1ncc(F)cn1	867042452	IBDDGULZIAUOOB-QMMMGPOBSA-N	323.353	1.641	50	20	DDGD	
COc1cccc([S@](=O)CC(=O)NN[C@H](C)C(F)(F)F)c1	862323218	QYCIJWYNOMFEDH-IJSAXESFSA-N	324.324	1.374	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2c(C)nc3sccn23)n[nH]1	767406909	BAUOOVBABAVXBO-UHFFFAOYSA-N	302.363	1.429	50	20	DDGD	
O=C1CCC[C@H](C(=O)NNc2nc3ccccc3[nH]c2=S)N1	862292413	HHEPNQKGMGJWPS-SNVBAGLBSA-N	317.374	1.404	50	20	DDGD	
Cc1ccccc1[C@H](NCC(=O)NNC(=O)C1CC1)C1CC1	1116474552	FOJGUEAAKBHRIV-MRXNPFEDSA-N	301.390	1.593	50	20	DDGD	
O=C(NNC(=O)[C@]1(F)CCOC1)Nc1cc(F)cc(F)c1	1117710776	CPGUQPNPBVJZOY-LBPRGKRZSA-N	303.240	1.246	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)c1ccncc1	764047900	XXZMTNFSJMIHMW-UHFFFAOYSA-N	303.343	1.341	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H](c1ccc(C)cc1)N(C)C	875171302	QLGYRRGKVKWTCT-CYBMUJFWSA-N	308.382	1.510	50	20	DDGD	
CCCn1cc(C=NNC(=O)c2c(C)nc3ccccn23)nn1	872328854	FRBKPTUNJFCHGZ-UHFFFAOYSA-N	311.349	1.408	50	20	DDGD	
O=C(NN=Cc1cccc2ncccc12)[C@@H]1CCS(=O)(=O)C1	872339576	QKLWXELHHSRHJT-GFCCVEGCSA-N	317.370	1.120	50	20	DDGD	
CCCCO[C@H]1CC(=NNC(=O)COCCOC)C1(C)C	872402199	WCPFEJDIQFHXMS-ZDUSSCGKSA-N	300.399	1.737	50	20	DDGD	
C#CCO[C@@H](C)C(=O)NNC(=S)Nc1c(C)cccc1CC	873852954	GTBHMYKXUVDRNA-LBPRGKRZSA-N	319.430	1.913	50	20	DDGD	
CC(C)[C@@]1(C)C[C@H]1C(=O)OCC(=O)NNC(=O)c1ccccc1	775071735	DVIBLUCVSBQJCT-SUMWQHHRSA-N	318.373	1.673	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)Nc1cccc2cccnc12	878013017	UQSSGZJPJJGVJW-UHFFFAOYSA-N	314.345	1.814	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(CCC(=O)OC)cc1	878630303	WZJNKHSSOCNPSB-UHFFFAOYSA-N	309.366	1.407	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CSc1ncco1	772247323	NEVALNKCBARCNZ-UHFFFAOYSA-N	305.359	1.465	50	20	DDGD	
C[N+](C)(C)CC(=O)NN=Cc1cnn(-c2ccc(Cl)cc2)c1	1115850409	GFLIRBQVAPPZCW-UHFFFAOYSA-O	320.804	1.682	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(C)[C@@H](C)C2(C)CC2)c1	777597751	GTZOPAUXYIFIPT-ZDUSSCGKSA-N	303.406	1.876	50	20	DDGD	
CC(C)[C@H]1CC(=NNC(=O)CNC(=O)c2cccnc2)CCO1	776777764	NAOHRFXBMACGPN-CQSZACIVSA-N	318.377	1.119	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2ccccc2O)cc1O	779513166	FKJFNOQJOMBNES-UHFFFAOYSA-N	316.313	1.246	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(OC)c(OC)c1OC	770542154	DIUKZWXXCPNRRB-UHFFFAOYSA-N	311.338	1.019	50	20	DDGD	
Cc1ccncc1NC(=O)C(=O)NNc1cnc2ccccc2n1	773719828	ZLWIWYWLXGMJSE-UHFFFAOYSA-N	322.328	1.415	50	20	DDGD	
Cc1c(O)cccc1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	772229835	HIWIAKQFSITTOE-NSHDSACASA-N	322.361	1.439	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)/C=C(\C)c1ccccc1	772038431	VVYDHBFQCRJVGL-IIANPFDCSA-N	304.346	1.579	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ncc(C)cc1C	779860586	CQGJTIDNBAYZGL-UHFFFAOYSA-N	313.357	1.711	50	20	DDGD	
O=C(CN1CCCNC1=O)NNc1ncc(Cl)cc1Cl	775270097	ZMRDLRQRZXGSID-UHFFFAOYSA-N	318.164	1.247	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2(C)COC(C)(C)OC2)cc1O	882050040	MNHKTXCXDPONLJ-UHFFFAOYSA-N	322.361	1.251	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C1CCN(CCC(F)(F)F)CC1	779772808	SRSIQFAFUUECQQ-UHFFFAOYSA-N	317.315	1.852	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(C#N)cc1	773032218	IDQYYQGIKJEWHS-CYBMUJFWSA-N	319.386	1.223	50	20	DDGD	
O=C1CCc2cc(NC(=O)C(=O)NNc3ccccc3)ccc2N1	775530814	YNAXJHVXUWIVIZ-UHFFFAOYSA-N	324.340	1.653	50	20	DDGD	
Cc1ccn2c(=O)c(C(=O)NCCCSC#N)cnc2c1	773586659	WYKLOTSMOYBWPB-UHFFFAOYSA-N	302.359	1.337	50	20	DDGD	
COC(=O)[C@@H]1CC(F)(F)CN1C[C@H](C)CBr	880331854	SEUXOIXGMNFKCX-SFYZADRCSA-N	300.143	1.900	50	20	DDGD	
CC1(NC(=S)NNC(=O)Cn2ccc3ccccc32)CC1	789232189	LLOTWHBAYVULKA-UHFFFAOYSA-N	302.403	1.689	50	20	DDGD	
O=C(CO)NN=C(Cc1ccccn1)c1ccc(Cl)cc1F	787163482	VNHCPHOBIAWHBI-UHFFFAOYSA-N	321.739	1.929	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1c(O)cccc1F	884402069	JYVSCNWAMACFLF-NSHDSACASA-N	323.368	1.340	50	20	DDGD	
CSC1(C(=O)NNC(=O)Cn2cnc3ccccc32)CC1	789727090	IVRRQNFINVERLF-UHFFFAOYSA-N	304.375	1.079	50	20	DDGD	
CCOc1ccc(C=NNC(=O)Cc2cc(C)[nH]n2)cc1F	782186834	RWAJIFWDCJALFU-UHFFFAOYSA-N	304.325	1.949	50	20	DDGD	
CCOC(=O)[C@H](CC(C)C)NNC(=O)c1cccc(C#N)c1	782228774	MJNAJAYLHHKPGC-AWEZNQCLSA-N	303.362	1.770	50	20	DDGD	
CCO[C@H]1C[C@H](NC(=O)NNc2ccc(C#N)cn2)C12CCC2	888373637	NDAXCYNRGLMYCW-STQMWFEESA-N	315.377	1.927	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)CCCc2ccccc2)CCCOC1	781158524	STJCFLOFGYUSIQ-QGZVFWFLSA-N	304.390	1.973	50	20	DDGD	
CCn1cc(/C=C(/C#N)C(=O)c2cccc3c2OCCO3)nn1	899366655	PCMOETXPLCYDNW-FLIBITNWSA-N	310.313	1.859	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNc2cccc(OC)n2)c1	780769734	UDDFUFXTRYUYNG-UHFFFAOYSA-N	303.318	1.864	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@@H](C)NC(=O)C(C)(C)C	788184329	JXTYLCHTXLLFMR-SECBINFHSA-N	311.357	1.828	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cccc(Cl)c1)c1ncn(C)n1	780704688	QYOXEXHMMIQBPG-QMMMGPOBSA-N	322.756	1.174	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)c3cccn32)cc1	788743167	UAQLHDSUILJJEH-AWEZNQCLSA-N	322.324	1.339	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H](O)[C@H](C)c1ccc(C)cc1	798306812	VZNATKCNLPZCSY-DGCLKSJQSA-N	307.419	1.141	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)Nc1cncc(F)c1	799235587	INQFAGSIAKUQCB-UHFFFAOYSA-N	319.252	1.595	50	20	DDGD	
CC(=NNC(=O)Cn1c(C)nc2ccccc21)c1ccnc(O)c1	790288189	ALHYLSJPIGZCHG-UHFFFAOYSA-N	323.356	1.986	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1nc(Br)ccc1F	792016700	TXLADHJNEOJGCT-UHFFFAOYSA-N	304.119	1.400	50	20	DDGD	
C[C@@H]1[C@@H](CNC(=O)NNC(=O)C(=O)N2CCCC2)CCC[C@H]1C	797543334	WGQIVESXHIWNTK-FRRDWIJNSA-N	324.425	1.012	50	20	DDGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNC(=S)N[C@@H](C)C2CC2)C1	798127340	HNUQDXDWDRUNAW-DMDPSCGWSA-N	313.467	1.876	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccoc1)c1ccc(Cl)cc1O	795301137	WURQDIXWWSPVJX-UHFFFAOYSA-N	316.722	1.262	50	20	DDGD	
CC(C)OC(=O)CC[C@@H](C)NC(=O)NNC(=O)C1CCCC1	792302994	CRQQHOPLDCGBNY-LLVKDONJSA-N	313.398	1.627	50	20	DDGD	
CO[C@@H](CNS(=O)(=O)CBr)C1CCCC1	692934316	NWTPYHAADIBDTJ-VIFPVBQESA-N	300.218	1.463	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cccc(OCC(F)F)n1	1319556085	AMDNBGYLFWAYMY-UHFFFAOYSA-N	318.349	1.243	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1ccc2n[nH]cc2c1	1319295794	NKRPLXHJYHZGLF-UHFFFAOYSA-N	324.344	1.240	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H](C)Cc1c(C)n[nH]c1C	1318849030	MZYOLERKHIHBQY-LLVKDONJSA-N	314.389	1.975	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)Nc1ccc(F)cn1	1324153061	GTJZHBXXQNGDDS-UHFFFAOYSA-N	318.312	1.289	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccc(SC(F)F)cc1	1320343090	OEWOBPWRKLSSAN-UHFFFAOYSA-N	305.306	1.536	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)N[C@@H]2CC[C@H](C(N)=O)C2)nn1	1328213998	UNEZXZLEJUZBSR-VHSXEESVSA-N	320.397	1.054	50	20	DDGD	
Cc1cc(C)nc(NC(=O)C(=O)NNc2ncncc2Cl)c1	1322102934	BQALHSQXAZZHAC-UHFFFAOYSA-N	320.740	1.224	50	20	DDGD	
COc1ccc2c(c1)C=C(C(=O)NNc1ccn(C)n1)CO2	1322272661	FBEVSVLPGZBBMJ-UHFFFAOYSA-N	300.318	1.348	50	20	DDGD	
CC(F)(F)C1(C(=O)NNC(=O)c2cccc(Cl)n2)CC1	1328662212	OJRRVFQMGGQKRV-UHFFFAOYSA-N	303.696	1.931	50	20	DDGD	
Cc1cccc(CN(C)C(=O)NNC(=O)c2cn[nH]c2)c1C	1348122931	ORGYHEIMTVCRSI-UHFFFAOYSA-N	301.350	1.513	50	20	DDGD	
C[C@H]1CN(C(=O)C2CCC(Cl)CC2)[C@H](C)CN1CCO	1520239205	FTRGMWWBWDISRE-MRFVTOPCSA-N	302.846	1.698	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCc1noc(CCCC(=O)O)n1	1608169535	GCSDZBJZZYVGTC-POHAHGRESA-N	305.290	1.380	50	20	DDGD	
Cc1c(NNC(=O)CN2CCCCC2=O)cccc1C(=O)O	1600052483	MBZVOOPHHPHWIY-UHFFFAOYSA-N	305.334	1.149	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1c(C)nn(CCC(=O)O)c1C	1605617871	BSTPSEFYYKCFPZ-DHZHZOJOSA-N	306.322	1.357	50	20	DDGD	
Cc1cnn(CCC(=O)NNc2ccc(C(=O)O)cc2F)c1	1600638794	KTTKTAKNGGHABI-UHFFFAOYSA-N	306.297	1.562	50	20	DDGD	
Cc1c(NC(=O)[C@@]2(C)C[C@@H]2Br)cnn1CC(=O)O	1607541134	UVUPAZDBFNVRDF-KWQFWETISA-N	316.155	1.388	50	20	DDGD	
CCc1nocc1C=NNC(=O)c1cccc(-c2nn[nH]n2)c1	1604588018	NSJUQQZGYJQSLU-UHFFFAOYSA-N	311.305	1.181	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCCO1)c1ccc(OCC(=O)O)cc1	1602987593	SXAGNDWKNMLXDF-AWEZNQCLSA-N	320.345	1.559	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)NNc2ccc(-c3nn[nH]n3)cn2)C1	1603881753	TXEYRSQKILBAAS-SCZZXKLOSA-N	302.342	1.076	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=CCC(C)(C)C(=O)O)cc1	1600442152	ZHHHGXCTFSTDGG-UHFFFAOYSA-N	305.334	1.536	50	20	DDGD	
CNc1ccc(C(=O)NNc2cccc(C(=O)O)c2F)nc1	1606310069	GBZOXSGBAFJOIJ-UHFFFAOYSA-N	304.281	1.718	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@@H](C(=O)O)C(C)(C)C)c1	1604091345	YVDAFRZHKVFHGE-LBPRGKRZSA-N	321.377	1.261	50	20	DDGD	
N#CCc1cccc(NC(=O)NNc2cccc(C(=O)O)c2)n1	1601077454	BTIBXEGNCWEUSF-UHFFFAOYSA-N	311.301	1.994	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)c(Cl)c1)c1ccc(O)nc1	1601554763	LVGZAFJNWXWHTO-UHFFFAOYSA-N	307.693	1.896	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2cccn2CC(=O)O)c1	1611199055	XYTLWWSUDRUZLR-UHFFFAOYSA-N	315.329	1.410	50	20	DDGD	
CC(C)C[C@@H]1COCC1=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1550193567	QBZQDUSFAPSLFM-UMVBOHGHSA-N	309.410	1.014	50	20	DDGD	
CCn1cc([C@H]2OCC[C@H]2C=NNC(=O)c2cnsn2)cn1	1552918941	GTOOKIYHDNEBQM-CABZTGNLSA-N	320.378	1.248	50	20	DDGD	
Cc1cccc(NNC(=O)c2cn(C)nc2[C@H]2CCCNC2)n1	1574165176	FBQPEMYAUKOMGI-LBPRGKRZSA-N	314.393	1.347	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H](N)CCCC#N)c(C)c1	1579722230	BEQLKZVPZYLDHZ-LBPRGKRZSA-N	319.434	1.642	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNc1ncccc1C(=O)O	1589323539	LPYZKDUVLBMWLY-GMTAPVOTSA-N	306.366	1.484	50	20	DDGD	
Cc1occc1C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1842434535	LXUAZOOPKCXODS-LLVKDONJSA-N	314.744	1.939	50	20	DDGD	
C[C@@]1(CNc2ncccc2-c2nn[nH]n2)C[C@@H]1Br	1590136050	QDCXDFKEQWCWCR-KWQFWETISA-N	309.171	1.847	50	20	DDGD	
CCc1nc(C)ncc1C(=O)NNc1ccccc1C(=O)O	1597663529	PZKNCDNEVYTJGM-UHFFFAOYSA-N	300.318	1.803	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NN=C1CC[C@H](C(=O)O)C1	1593621889	YWTJMCGMZARJIV-ZJUUUORDSA-N	308.309	1.950	50	20	DDGD	
CN(C)C(=O)NN=Cc1ccc(N2CCC(C(=O)O)CC2)o1	1593687005	ONUDMCDWIUQARX-UHFFFAOYSA-N	308.338	1.186	50	20	DDGD	
CN(C)c1ncccc1C(=O)NNc1ccccc1C(=O)O	1598358531	CZIRRCHICACIDA-UHFFFAOYSA-N	300.318	1.603	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccc(-c2nn[nH]n2)o1	1593167237	DJGBBOPEVZLDHV-UHFFFAOYSA-N	310.277	1.093	50	20	DDGD	
C/C=C\CNC(=O)/C(C#N)=C\c1cc(-c2nn[nH]n2)n(C)c1C	1590353379	GQXIBKCGGGYPBJ-QAWFIIPJSA-N	311.349	1.113	50	20	DDGD	
CC(=NNC(=O)c1cnsn1)c1ccc(C(=O)O)cc1C	1776104877	DDJNMNLFHDYYEJ-UHFFFAOYSA-N	304.331	1.699	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cc(Cl)ncc2C(=O)O)n[nH]1	1776028522	FUYLRXXYTWXHKY-UHFFFAOYSA-N	321.724	1.158	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)O)CCC1=NNC(=O)[C@@H]1CCN1C(C)(C)C	1776098257	DNOBPCDNCNLLOL-MDZLAQPJSA-N	309.410	1.852	50	20	DDGD	
CCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Cl)C2	1795605156	PKFXUDSBGMBHIP-DTHBNOIPSA-N	306.765	1.196	50	20	DDGD	
CCOCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl	1796803856	HTDRBAFEKQNGIV-WYFGTUCQSA-N	306.765	1.196	50	20	DDGD	
C[C@@H]1CC(NC(=O)NNC(=O)Cc2ccc(F)cc2)C[C@@H](C)O1	162073620	DMRGHJVUDAKNCC-GHMZBOCLSA-N	323.368	1.655	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(OCc2ccccn2)c(F)c1	163809299	GKYUHVDHLFELJN-UHFFFAOYSA-N	318.308	1.972	50	20	DDGD	
C[C@H](Sc1ccccn1)C(=O)NNC(=O)NCc1ccco1	152190956	STAADYMWUGJZOW-JTQLQIEISA-N	320.374	1.686	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCc1ccc(Cl)cc1	83085027	RUFWDJXLWMJBIA-UHFFFAOYSA-N	318.764	1.808	50	20	DDGD	
C[C@H](CC(=O)NNc1ccc(C(N)=O)nn1)C1CCCCC1	154398591	UCGPYEVBUXXDOW-SNVBAGLBSA-N	305.382	1.625	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](C)Cc2c(C)nn(C)c2C)nc1	159616708	QXDHTJJXKDGFOB-JTQLQIEISA-N	317.393	1.762	50	20	DDGD	
O=C(NC[C@H]1CCCS(=O)(=O)C1)c1cccc(CCl)c1	1262625005	XGYNLGCYWUCNQU-GFCCVEGCSA-N	315.822	1.980	50	20	DDGD	
COc1ccnc(NNC(=O)CCCOc2ccccc2F)n1	59885019	DCCZCPJHHOYPQB-UHFFFAOYSA-N	320.324	1.927	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNC(=O)COc1cccc(C)c1	104133213	WWCJCTSIVZKRNC-HNNXBMFYSA-N	319.405	1.396	50	20	DDGD	
O=C(NCCn1ccnc1)NNc1ccc(OC(F)F)cc1	170672174	UJCXNHLTUABWTC-UHFFFAOYSA-N	311.292	1.811	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NNc2ccccc2[N+](=O)[O-])C1	171276356	NUFNSGHMHWFVEK-NSHDSACASA-N	306.322	1.296	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)N[C@H]1CC=CCC1	172596114	GRMWWCCWWDOIPB-AWEZNQCLSA-N	303.362	1.642	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1ncccc1Cl	114886241	JWKWFWKLZAUKKB-UHFFFAOYSA-N	300.746	1.657	50	20	DDGD	
CN1CCC[C@@H](CNC(=O)NNc2ccc(C(C)(C)C)nn2)C1	118578294	KPYBCKLAGBFWDK-LBPRGKRZSA-N	320.441	1.742	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)[C@H]1CCCN1S(C)(=O)=O	179006154	FFXLIKXJHHQJGB-GFCCVEGCSA-N	315.370	1.001	50	20	DDGD	
CS[C@@H](C(=O)NNC(=O)Cc1ccncc1)c1ccccc1	175803485	FAPPYKUPFNJMSR-OAHLLOKOSA-N	315.398	1.876	50	20	DDGD	
CC(C)CC(CC(C)C)NC(=O)NNC(=O)c1cnn(C)c1	117965070	SMZPWSPSXAIIPD-UHFFFAOYSA-N	309.414	1.825	50	20	DDGD	
O=C(NNc1ncccn1)[C@@H]1CCCCN1Cc1ccccc1	121052355	NJMNFWNCPIWBMM-HNNXBMFYSA-N	311.389	1.974	50	20	DDGD	
CC(C)NC(=O)CCNC(=O)NNc1cc(F)c(F)c(F)c1	175239800	MQWLUHWNYUBQRG-UHFFFAOYSA-N	318.299	1.645	50	20	DDGD	
Cc1noc(CCCNC(=O)NNC(=O)c2ccccc2F)n1	67085383	PKRDXTVLBWYKLK-UHFFFAOYSA-N	321.312	1.094	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCCCC2)c1c[nH]nn1	127459546	IBCBCXKBJWKSNZ-UHFFFAOYSA-N	305.363	1.210	50	20	DDGD	
CN(CC(=O)NNC(=O)C(C)(C)C)c1ccccc1[N+](=O)[O-]	79583911	QTOFMWUAPZFQKJ-UHFFFAOYSA-N	308.338	1.225	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H](C)c2ncc(C)s2)nn1	184500065	DOVAFALLFCPOPW-QMMMGPOBSA-N	306.395	1.980	50	20	DDGD	
COc1cccc(NNC(=O)c2cn(CCC(C)C)nn2)n1	180704356	PCWVZPCKRBIDNV-UHFFFAOYSA-N	304.354	1.485	50	20	DDGD	
C[C@@H](CNC(=O)NNc1cccnn1)N1CCc2ccccc21	77343992	AWZUCHCVJJEHKK-LBPRGKRZSA-N	312.377	1.554	50	20	DDGD	
O=C(NNC(=O)c1cccc2nn[nH]c12)NC1CCCCC1	189539554	AQTBMZCPKNGGFY-UHFFFAOYSA-N	302.338	1.235	50	20	DDGD	
CC(=O)NNC(=O)Nc1cccn(Cc2ccccc2)c1=O	181979555	RISFHQLEMKQTNR-UHFFFAOYSA-N	300.318	1.069	50	20	DDGD	
CN(C)C(=O)NNC(=O)COc1ccc(Cl)c(Cl)c1	194919344	DOTCDLQALSBUKO-UHFFFAOYSA-N	306.149	1.675	50	20	DDGD	
COc1cccc(C)c1NC(=O)NNC(=O)Cc1cccnc1	194988548	UBPHVMBYZMAJBT-UHFFFAOYSA-N	314.345	1.794	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCOc1ccc(Cl)cc1	190070904	FWPANCNTCONIPM-UHFFFAOYSA-N	300.742	1.027	50	20	DDGD	
COCc1ccc(NC(=O)C(=O)NNc2ccc(C#N)cc2)cc1	193883263	NAZISNZQTRMEBS-UHFFFAOYSA-N	324.340	1.786	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cn1	194039996	XEHQEYGOEGXHDT-UHFFFAOYSA-N	308.700	1.956	50	20	DDGD	
CCc1ccc(CCC(=O)NNC(=O)Cc2ccncc2)cc1	81025216	UKRMRROJQJVMHZ-UHFFFAOYSA-N	311.385	1.967	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H]1CCCN1Cc1ccc(F)cc1	81552579	WSQDQNDQIIDENJ-CQSZACIVSA-N	321.396	1.984	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNC(=O)c1cccc(Cl)c1	194134921	NNVGOITWJUZMJY-SNVBAGLBSA-N	314.769	1.543	50	20	DDGD	
O=C(CCn1ccccc1=O)NNc1ncnc2ccsc12	132731974	CAPOKQJWTZWQIR-UHFFFAOYSA-N	315.358	1.386	50	20	DDGD	
COC(=O)[C@H]1CCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	194146154	SDYNLBDHRQKNEH-FWLQQBITSA-N	300.314	1.463	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1	194930022	WICAVMUWZMVREB-UHFFFAOYSA-N	321.337	1.111	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1csc(-c2ccc(F)cc2)n1	190074119	RKGFFVWPLRJCSI-UHFFFAOYSA-N	323.349	1.481	50	20	DDGD	
Cc1ccccc1-c1nc(C(=O)NNC(=O)C(C)(C)O)cs1	192922387	GVRQRZANPGHWCD-UHFFFAOYSA-N	319.386	1.650	50	20	DDGD	
COc1ccnc(NNC(=O)C[C@H](O)c2ccc(Cl)cc2)n1	91091353	YCEDJZKPOFGVDX-NSHDSACASA-N	322.752	1.705	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)NNC(=O)c2ccc[nH]2)C1	98034239	OWQLKXGYWBAOCY-FRRDWIJNSA-N	321.425	1.325	50	20	DDGD	
CC(C)Oc1ccc(C=NNC(=O)C(=O)N2CCCC2)cc1	254819790	WQPGJQRDBQBIED-UHFFFAOYSA-N	303.362	1.546	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2CCc3cn[nH]c3C2)cc1	266267036	YLFUIZYKPVPAMK-CYBMUJFWSA-N	312.373	1.538	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCOC2CCCCC2)o1	267890517	UMZLHWQLNDXZJU-UHFFFAOYSA-N	309.366	1.881	50	20	DDGD	
O=C(CCOc1ccccc1[N+](=O)[O-])NNC(=O)C1CCC1	264783606	QRLPUXFFZTZHLA-UHFFFAOYSA-N	307.306	1.311	50	20	DDGD	
CS[C@H](C)CNC(=O)NNC(=O)COc1ccc(C)cc1	269869101	HNAIRCJMIMGCPF-LLVKDONJSA-N	311.407	1.456	50	20	DDGD	
C[C@]1(CCCC(=O)NNc2ccccc2Cl)NC(=O)NC1=O	269578004	HMGFKFDWVZFZMQ-CQSZACIVSA-N	324.768	1.552	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1nc2c(s1)CCCC2	263885110	CZYFPCSSAWAGBH-UHFFFAOYSA-N	317.374	1.883	50	20	DDGD	
CC[C@]1(C)Oc2ccc(NC(=O)NNC(=O)CN(C)C)cc2O1	276769353	ODBZYTPRUWEGEJ-OAHLLOKOSA-N	322.365	1.298	50	20	DDGD	
Cc1cc(C)cc(OCCNS(=O)(=O)CBr)c1	272859585	XBGUAZOVUAXQHD-UHFFFAOYSA-N	322.224	1.954	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H]2COC3(CCCCC3)O2)nn1	271967740	NWVAGRCFAPDYQM-LBPRGKRZSA-N	321.381	1.487	50	20	DDGD	
O=C(NC[C@H]1COC2(CCCCCC2)O1)NNc1ncccn1	272075598	IQASGHBNHCHYMR-LBPRGKRZSA-N	321.381	1.569	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc2c(c1)C(=O)N(C)CC2	276100886	XZYXQKRIQNCNAY-UHFFFAOYSA-N	319.365	1.013	50	20	DDGD	
C[C@@H](NC(=O)CC(C)(C)C)C(=O)NNC(=O)c1ccccc1O	275227317	SINBUAGEDNGEBJ-SNVBAGLBSA-N	321.377	1.094	50	20	DDGD	
CC(C)OCCCC(=O)NNc1nc(-c2cccnc2)no1	273217661	RDFKCVLSPSJTQH-UHFFFAOYSA-N	305.338	1.780	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)c3cncnc3)cc2C1	273927297	KGPWAVDDUBYLRU-SECBINFHSA-N	316.386	1.738	50	20	DDGD	
COc1c(C(=O)NNC(=O)Nc2ccccc2C)c(C)nn1C	281406074	YZDITVSSCGRYRH-UHFFFAOYSA-N	317.349	1.512	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)n1	374488631	OXQMWODKPDJCAV-DOMZBBRYSA-N	321.381	1.058	50	20	DDGD	
C[C@@H]1C[C@H](N2CCOCC2)CN1S(=O)(=O)CCCCCl	375632724	WLBYVAVNWUBYMO-OLZOCXBDSA-N	324.874	1.130	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2cc(F)c(F)cc2F)CCC1	281216302	ODADSYUEUCZDGC-UHFFFAOYSA-N	322.308	1.514	50	20	DDGD	
O=C(CN1CC2CCC1CC2)NNC(=O)c1ccccc1Cl	378386320	UYKMGTMAXIUYEE-UHFFFAOYSA-N	321.808	1.975	50	20	DDGD	
O=C(NCCC1(O)CCOCC1)NNc1ccc(Cl)nc1	287660490	ABXSDLIBVYRUFM-UHFFFAOYSA-N	314.773	1.293	50	20	DDGD	
N#CCOc1ccccc1C(=O)NNC(=O)NCC(F)(F)F	281296602	RDHVGKQASDDDNL-UHFFFAOYSA-N	316.239	1.095	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@](C)(O)C3CC3)cc2C1	288515483	XGMANPNGQDPSMX-JDNHERCYSA-N	322.430	1.795	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCc2c[nH]nc2C)cc1	298672599	HZYHYCKNQGYPDS-UHFFFAOYSA-N	301.350	1.425	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@H]2COc3ccccc3O2)o1	295127062	NDFUPZNCUHEBFJ-NSHDSACASA-N	316.313	1.579	50	20	DDGD	
COCCN(C)NC(=O)Cc1cc(F)ccc1Br	294485345	RWDDIYUQNLMDQW-UHFFFAOYSA-N	319.174	1.740	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1nn(CC)nc1C)c1ccccc1	293023656	ARKDMEYQCHOBPL-CYBMUJFWSA-N	315.377	1.561	50	20	DDGD	
COc1ccccc1NCC(=O)NN=Cc1cn(C(C)C)nn1	807946552	WMZYJAISUGEWTG-UHFFFAOYSA-N	316.365	1.430	50	20	DDGD	
O=C(CCNC(=O)c1ccsc1)NNc1cccc(F)n1	804763419	JNPSITJERCWWHE-UHFFFAOYSA-N	308.338	1.545	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1Cl	803103316	RIUZACNJCCLAIL-UHFFFAOYSA-N	306.669	1.600	50	20	DDGD	
CC#CCCCC(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	291272449	QRNIEOVOFIYVIY-UHFFFAOYSA-N	323.418	1.574	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)c2ccc(C#N)cc2)o1	292802579	WMTXOXZYEDWYGL-UHFFFAOYSA-N	312.329	1.882	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NNc1ncc(F)cc1F	298206714	FZKDWIBIXYUDJD-SKDRFNHKSA-N	312.320	1.967	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H](C)C(F)(F)F	807368893	MWEFGRXNAHRHQV-ZETCQYMHSA-N	300.277	1.121	50	20	DDGD	
CC[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CCCCO1	295287173	DCZPCOIQUWJSPW-TZMCWYRMSA-N	324.352	1.700	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CCCn1cncn1	805375205	DSXUWXWVDJPCTD-UHFFFAOYSA-N	304.310	1.418	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C(=O)Nc1nocc1C	807455682	LNBODYBKGOMUJG-UHFFFAOYSA-N	319.277	1.281	50	20	DDGD	
CN(NC(=O)c1ccc2c(c1)NC(=O)CO2)C(=O)OC(C)(C)C	297805184	WJKRCUZIPFWEOH-UHFFFAOYSA-N	321.333	1.529	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H]1CSC[C@H]1C	805097728	VYGJBZTUVWDRTC-KOLCDFICSA-N	309.391	1.391	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccccc1Cl)[C@@H]1CCCCO1	296673733	HGDPCAFLTLMZBU-JTQLQIEISA-N	318.782	1.219	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2c[nH]nc2-c2ccccn2)n1	810427712	OTVBBMNHARNFLI-UHFFFAOYSA-N	324.348	1.085	50	20	DDGD	
O=C(NNC(=O)c1ccc(N2CCNC2=O)cc1)c1ccccc1	812495600	MBLNLDIERRIHIQ-UHFFFAOYSA-N	324.340	1.291	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cnc(C(F)(F)F)cc1C	810266152	WKECHQGWGNZJHZ-UHFFFAOYSA-N	320.271	1.598	50	20	DDGD	
C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CC[C@H](c2ccccc2)C1	814835303	NAQSRFTUVCYHFQ-YPMHNXCESA-N	323.418	1.364	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CCCC(=O)NC(C)C	729257517	JAXYYUXYOIOIGA-UHFFFAOYSA-N	305.378	1.451	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1CCC[C@@H](OC)C1	814407351	YTRHMAPKDKESRG-ZIAGYGMSSA-N	320.389	1.590	50	20	DDGD	
CC(=NNC(=O)N=c1cc[nH]cc1)c1ccc2nc(O)[nH]c2c1	815000223	ICLIHELWXHOJNN-UHFFFAOYSA-N	310.317	1.631	50	20	DDGD	
Nc1ccc(NC(=O)NNC(=O)CC2CCCC2)cc1[N+](=O)[O-]	823961975	NMMXGBPRAZUQQR-UHFFFAOYSA-N	321.337	1.910	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)NCC2CCC2)cc([N+](=O)[O-])c1	727865721	XPWDPCVZDAQMOM-UHFFFAOYSA-N	322.390	1.812	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(C)(C(=O)NNC(=O)C2CCC2)C1	496749200	ROPMESTUELZWMC-UHFFFAOYSA-N	311.382	1.191	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNc1ccc(Br)nc1	825818616	ARUXBXBAOMPNPW-ZJUUUORDSA-N	312.167	1.878	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cn(CC(C)C)nc1C(F)F	496018556	DLLNJDNZLIPOOM-UHFFFAOYSA-N	304.297	1.820	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@H]1CCCCN1C(=O)c1ccccc1	823977001	MFIYPDPPFWIPLV-DZGCQCFKSA-N	319.405	1.025	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=O)C(C)(C)c2ccccc2)CC1	823208230	FUCNLKNYDSDCOY-UHFFFAOYSA-N	302.374	1.871	50	20	DDGD	
CC(C)c1c(C(=O)NN(C)[C@H](C)CO)cnn1-c1ccccn1	823970295	DMDRSSAZUYXCHO-GFCCVEGCSA-N	317.393	1.348	50	20	DDGD	
O=C(CCC1CCCC1)NCC(=O)NNC(=O)NC1CCCC1	726529469	VWWTUVRZRGZIDH-UHFFFAOYSA-N	324.425	1.346	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CC1CCCC1	490914304	IVRBSMFRYMCBQV-JTQLQIEISA-N	313.398	1.627	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C1(C)CCC1	494095992	ZZOHXQFKYLBFKQ-UHFFFAOYSA-N	313.398	1.629	50	20	DDGD	
Cn1c(=NNC(=O)C2(C(=O)C3CC3)CC2)sc2ccccc21	822363153	SCRDWAXHOZJOIP-UHFFFAOYSA-N	315.398	1.931	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1c(F)cc(Br)cc1F	823946407	IZRHJTBJUYIYLI-LURJTMIESA-N	323.137	1.685	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)N[C@@H]2CCC[C@@H]2C)c1	729507878	KPYOEKYQJWELMG-IINYFYTJSA-N	321.377	1.836	50	20	DDGD	
C[C@H](C(=O)NNC(=O)OC(C)(C)C)n1nnnc1C(C)(C)C	495307090	MOSHPJVJQYWMNO-MRVPVSSYSA-N	312.374	1.088	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1	823983200	MZXXTAORHFBNHF-LLVKDONJSA-N	322.365	1.152	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1	490754577	SVPUHLISSHLRAR-NSHDSACASA-N	319.361	1.595	50	20	DDGD	
CNC(=O)NNC(=O)[C@@H](C(C)C)[C@H](C)NC(=O)OC(C)(C)C	497097036	HMNHJGATENTGHO-UWVGGRQHSA-N	316.402	1.132	50	20	DDGD	
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CC(C)(C)C	495532040	AEIKLJXMNNOYNJ-SNVBAGLBSA-N	315.414	1.873	50	20	DDGD	
NCCCN(Cc1ccc(B(O)O)cc1F)c1cccc(F)c1	585035344	RLKLIHUFTBKVFT-UHFFFAOYSA-N	320.148	1.000	50	20	DDGD	
C[C@]1(C(=O)NCCCO[C@@H]2CCOC2)C[C@H]1Br	906960324	MADAOGPHJYDATD-FOGDFJRCSA-N	306.200	1.472	50	20	DDGD	
CCCONC(=O)NNC(=O)c1ccc(Br)s1	828226554	FCGDCDMOSMUMNM-UHFFFAOYSA-N	322.184	1.796	50	20	DDGD	
CC1(C)C[C@@H](Cc2nc(-c3cccc(B(O)O)c3)no2)CCO1	585054074	ROGUGLWQLFHLOJ-LLVKDONJSA-N	316.166	1.164	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc(F)c(Cl)c1	823473235	AZZZDAIKOMUJQT-SVRRBLITSA-N	301.705	1.060	50	20	DDGD	
O=C(NC[C@H]1CCCS1)NNc1cccc(-c2nn[nH]n2)c1	823175319	FQCFBDKTMFMLFX-LLVKDONJSA-N	319.394	1.388	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)c1	822194622	HNMKBZQEPVUIBR-VNHYZAJKSA-N	302.374	1.957	50	20	DDGD	
COc1cc(/C=C(/C#N)C(=O)N=c2cc[nH]cc2)ccc1C#N	491158024	CBUKTMVWSDKKIE-ZSOIEALJSA-N	304.309	1.929	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1nnc2ccccc2c1O	735654986	WRQRXUTWMFDXDX-UHFFFAOYSA-N	303.322	1.080	50	20	DDGD	
CCn1cc(C=NNC(=O)Cn2c(C)nc3ccccc32)nn1	901139462	REIDVZIHNKZRLB-UHFFFAOYSA-N	311.349	1.106	50	20	DDGD	
CN(C)CCCCC(=O)NNC(=O)COCc1ccccc1	738545321	CJKFKOUTBYTYDQ-UHFFFAOYSA-N	307.394	1.083	50	20	DDGD	
CC1(C)CCN(C(=O)c2cccc(B(O)O)c2)CC(C)(C)C1	585006087	ACUXLKYPNKSFEV-UHFFFAOYSA-N	303.211	1.655	50	20	DDGD	
CC1(C)OC[C@H](CNC(=O)NNc2ncc(F)cc2F)O1	838542088	BUMWTQIDFCFZQQ-QMMMGPOBSA-N	302.281	1.137	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@]1(C#N)CC12CCCC2	830189781	BQONIOBCSBUZHD-MRXNPFEDSA-N	323.393	1.397	50	20	DDGD	
CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)[C@H]1CCOC1	735448110	OYTGJTRQSKLULE-LBPRGKRZSA-N	300.322	1.009	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc2c(c1)C[C@H](C)O2	901195039	COAGKDFJACAXAI-NSHDSACASA-N	317.389	1.765	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1c(C)cc(C)cc1C	901965315	BFFPQWMCZHKDLV-UHFFFAOYSA-N	308.403	1.725	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1CNC(=O)NNc1ccc(-n2cccn2)nn1	838680863	FOZLVOCREZZZSY-RYUDHWBXSA-N	315.381	1.581	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1cnn2ccccc12	737629761	XNANSLCUTBCYPK-UHFFFAOYSA-N	324.340	1.312	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)C[C@@H]1CCOC1	739688273	MREBEGUCWQVRTR-VIFPVBQESA-N	312.753	1.536	50	20	DDGD	
COc1ccc(C#N)cc1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	831388379	CTOIODJCPBGBLX-KOLCDFICSA-N	318.333	1.145	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@]2(C)CCCCO2)c1	837310604	NDDLLUWSTTVWRS-MRXNPFEDSA-N	322.361	1.424	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2ccc(C(=O)OC)cc2F)n1	837206029	HZZCMLNYSQBZPL-UHFFFAOYSA-N	321.312	1.289	50	20	DDGD	
C[C@@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)[C@H]2CCCC[C@H]21	584927612	AAXNNRAMIKVOPL-FFSVYQOJSA-N	319.185	1.546	50	20	DDGD	
CS[C@@H]1CCC[C@@H](NC(=O)NNC(=O)N=c2cc[nH]cc2)C1	838483865	SZTYPMFMNSBSRK-VXGBXAGGSA-N	323.422	1.513	50	20	DDGD	
C=CC[C@@H](NC(=O)NNC(=O)CC(F)(F)F)c1ccncc1	734679947	KZSRVRDCTYTUER-SNVBAGLBSA-N	316.283	1.982	50	20	DDGD	
O=C1CCCCN1c1cccc(NCc2ccccc2B(O)O)c1	585012264	RNOBIBXEWUTZKA-UHFFFAOYSA-N	324.189	1.495	50	20	DDGD	
CC(C)Oc1cncc(C(=O)NNC(=O)[C@@H]2CCCCO2)c1	833246880	TWQPMDMERVQRCX-ZDUSSCGKSA-N	307.350	1.199	50	20	DDGD	
CC1(c2ccccc2)CC(NC(=O)c2ccc(B(O)O)cc2)C1	584985341	KPEJCWPEBLGCMU-UHFFFAOYSA-N	309.174	1.217	50	20	DDGD	
CCCCC[C@@H](O)C(=O)NNc1ccc(C(=O)OC)c(F)c1	837054081	TZYYGUOOKKBMHO-CYBMUJFWSA-N	312.341	1.997	50	20	DDGD	
COCC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)C(C)C	736965339	BWRBFMNLTYJTCQ-UHFFFAOYSA-N	302.338	1.255	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cn1cnc2ccccc21)C1CCC1	837309356	KNRFYAVCDTYIDM-NSHDSACASA-N	300.362	1.620	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cccc(OCC(F)(F)F)c1	910160714	NENHQVCQQHOBGJ-VIFPVBQESA-N	306.284	1.585	50	20	DDGD	
COc1ccc(CNC(=O)NNc2ncccn2)cc1[N+](=O)[O-]	918127881	PHVMRQXCLJUNRM-UHFFFAOYSA-N	318.293	1.220	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H](C)c1c(C)n[nH]c1C	731891398	NAQOLGYRVOGVJH-JTQLQIEISA-N	300.362	1.900	50	20	DDGD	
O=C(CCc1nc(-c2ncccn2)no1)NNc1ccccc1	732265933	OXFJDPBEGCGSPS-UHFFFAOYSA-N	310.317	1.603	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)C1=NO[C@H](c2ccccc2)C1	833255565	GHOQYMGKLGBQMI-KGLIPLIRSA-N	317.345	1.221	50	20	DDGD	
C=CCOc1cccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	831352721	ZVGWARYRFAVWCC-FZMZJTMJSA-N	319.361	1.829	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccnn1C(C)(C)C	831688308	OSMNLMXIOGVXQE-UWVGGRQHSA-N	309.370	1.216	50	20	DDGD	
CCOC(=O)Cc1cnc(NC(=O)NNC(=O)C(C)C)s1	836769544	UVGIFSJUSDNJJN-UHFFFAOYSA-N	314.367	1.057	50	20	DDGD	
COC(=O)CCc1ccccc1C(=O)NN[C@@H](C)C(F)(F)F	912898832	RPMOBLHXYDFGHR-VIFPVBQESA-N	318.295	1.977	50	20	DDGD	
CC(C)Cn1cnc(S(=O)(=O)NNC(=O)C2CCCC2)c1	749863934	FGNFLOOGNDQWLM-UHFFFAOYSA-N	314.411	1.039	50	20	DDGD	
CC(=O)c1cc(C(=O)NNc2oc(C(C)C)nc2C#N)n(C)c1	746298452	BKRFGYYHCCEVDR-UHFFFAOYSA-N	315.333	1.968	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H]1C[C@H]1OC(C)(C)C	831568987	ARQGXUDMYAFZLX-RKDXNWHRSA-N	305.469	1.048	50	20	DDGD	
C[C@H]1CCCC[C@@H]1NC(=S)NNC(=O)NCC(F)(F)F	917597256	IXKIDSIBVIUGNU-YUMQZZPRSA-N	312.361	1.806	50	20	DDGD	
C[C@]1(CNC(=O)CNC(=O)N2CCCC2)C[C@@H]1Br	912827034	GMWDWHHLYLXPOQ-JOYOIKCWSA-N	318.215	1.082	50	20	DDGD	
CC(=NNC(=O)C(=O)NC(C)C)c1ccc(-n2ccnc2)cc1	744812855	VDPOSMLEFQEJBK-UHFFFAOYSA-N	313.361	1.237	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(OC)c(-n2cnnn2)c1	741648994	STJNOMFVWZXMBO-NTMALXAHSA-N	314.305	1.053	50	20	DDGD	
CC(=O)Nc1ccc(O)c(C(C)=NNC(=O)c2cnccn2)c1	915960177	SYYHUFGIUFPCSF-UHFFFAOYSA-N	313.317	1.295	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(N(C)C)cc1F	843663804	YKYMRUGXUQUHCR-MWLCHTKSSA-N	309.341	1.078	50	20	DDGD	
O=C(CN1Cc2ccccc2C1=O)NNc1ccc(Cl)nc1	743819710	XTDUMPUMWCHZBE-UHFFFAOYSA-N	316.748	1.834	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2cccc(C(F)(F)F)n2)o1	747590266	FUSAJSMVGXSGCJ-UHFFFAOYSA-N	314.223	1.549	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1nn(-c2cccc(Cl)c2)cc1O	910145498	SSTDFNILEDDMJQ-SECBINFHSA-N	324.768	1.189	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCCNC1CC1)c1ccccc1	841928814	BWCKLUPYYXWPAG-CQSZACIVSA-N	304.394	1.263	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cccc(Cl)c1[N+](=O)[O-]	749983213	MJZCBPYNKLPHNW-UHFFFAOYSA-N	323.696	1.355	50	20	DDGD	
O=C(CO[C@@H]1CCCNC1)NNc1ccccc1C(F)(F)F	843385837	YVSQGVAIMZDPEP-SNVBAGLBSA-N	317.311	1.917	50	20	DDGD	
COc1cc(C)c(C(C)=NNC(=O)c2ncccn2)cc1OC	841664246	LVJRVMMAPHTVFA-UHFFFAOYSA-N	314.345	1.956	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(-c2cc[nH]n2)s1	843970542	HTPOKXSSFBUNGV-BDAKNGLRSA-N	320.374	1.324	50	20	DDGD	
CCCCCCO[C@@H](C)C(=O)NNC(=O)NCC(F)(F)F	840446540	VRLYYUNLSJYZBA-VIFPVBQESA-N	313.320	1.865	50	20	DDGD	
CC(=O)NNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21	929181763	HAMAUJQMVIQSTA-LBPRGKRZSA-N	319.361	1.693	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1cccc(C2CC2)c1	843659902	KEXQZFPJTJLFBK-ABAIWWIYSA-N	302.374	1.679	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)c1ncn(-c2ccccc2)n1	857533019	DXUNFQVZLVHTNH-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
C[C@@H](CCc1ccccc1)NC(=O)NNC(=O)c1cn[nH]c1	858088043	YVKKVYQFPZPDHH-NSHDSACASA-N	301.350	1.375	50	20	DDGD	
CC(C)c1ncc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)s1	758373880	LGLIUCVGFSJBFT-VIFPVBQESA-N	315.420	1.151	50	20	DDGD	
C=C[C@](C)(O)C(=O)NNC(=O)c1ccc(OCCC)c(OC)c1	854236128	KBFHYXHDOZVYOK-INIZCTEOSA-N	322.361	1.182	50	20	DDGD	
COc1ccc(NNC(=O)c2nc[nH]c2C(F)(F)F)nc1	857490064	IUXGLXYUPIBAKK-UHFFFAOYSA-N	301.228	1.589	50	20	DDGD	
CCOc1cc(NC(=O)NNC(=O)Cc2cc[nH]n2)ccc1C	756330878	LSDBQDKPJFJAQW-UHFFFAOYSA-N	317.349	1.512	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@H]2C=NNC(=O)c2ncccn2)cn1	853358086	SWCBKVUSOAPSNV-WCQYABFASA-N	314.349	1.094	50	20	DDGD	
Cn1c(=O)oc2c(C(=O)NNC(=O)C3CCCC3)cccc21	756923644	YRYUQEOJWVXHSW-UHFFFAOYSA-N	303.318	1.083	50	20	DDGD	
O=C(NNC(=O)c1nc(Cl)ccc1F)c1ccccc1O	759761986	NBCHYXNLKIUFSK-UHFFFAOYSA-N	309.684	1.655	50	20	DDGD	
C[C@]1(CNC(=O)c2cnc3[nH]cnc3c2)C[C@@H]1Br	857395881	VLUSRWZFWAKHED-JOYOIKCWSA-N	309.167	1.861	50	20	DDGD	
CC(C)(C)C[C@H](NC(=O)NNC(=O)c1cn[nH]c1)C(F)(F)F	858351995	QKCXOKONUAGRRX-QMMMGPOBSA-N	321.303	1.721	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1cccc2c1OCO2	757993811	AWSAWKOTUFLLPR-UHFFFAOYSA-N	314.301	1.206	50	20	DDGD	
Cc1ccc(NNC(=O)NCC2(N3CCOCC3)CC2)cc1F	854024721	GZEVKJFGVVJEDK-UHFFFAOYSA-N	322.384	1.625	50	20	DDGD	
CCC(Cc1ccccc1)=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	853388286	GYXITWGSMHAVHX-SJORKVTESA-N	315.417	1.975	50	20	DDGD	
CCOC(=O)C[C@H]1CCCCC1=NNC(=O)Cc1cc(C)[nH]n1	754924646	YNMDPVHSOPEHEH-GFCCVEGCSA-N	320.393	1.876	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCC[C@@H](C)CO)c1C	853917570	ZFTPVUCOPFFPBW-LLVKDONJSA-N	323.393	1.816	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)NC[C@H](C)C2CC2)c1	920054485	QFFDABASPDXLSS-JTQLQIEISA-N	321.377	1.694	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)N[C@@H]2C=CCC2)cc1	852510738	CXMGKUBYVHPTPM-CYBMUJFWSA-N	303.362	1.677	50	20	DDGD	
C[C@]1(CNC(=S)NCc2ccon2)C[C@@H]1Br	857203804	CQUOAEXFEJWFIU-WCBMZHEXSA-N	304.213	1.812	50	20	DDGD	
CNC(=S)N(C)NC(=O)COc1cccc(C(F)(F)F)c1	854929498	KMPIRZSTWOKAPS-UHFFFAOYSA-N	321.324	1.552	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H](C)Cc1ccccc1C	858783229	QJUYCWVKDDKJQY-CYBMUJFWSA-N	307.394	1.541	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)c2cccc(N(C)C)c2)co1	753614724	WFXNLEINZTYOCH-UHFFFAOYSA-N	302.334	1.378	50	20	DDGD	
CN(CCN1C[C@@H]2CC[C@H](C1)O2)NC(=O)OCc1ccccc1	859386165	FQXIRJYASQYILF-IYBDPMFKSA-N	319.405	1.623	50	20	DDGD	
O=C(Cc1c[nH]c2cc(F)ccc12)NNC(=O)c1ccccn1	751283209	ZDZVATJSORGEHC-UHFFFAOYSA-N	312.304	1.706	50	20	DDGD	
CC(C)n1cc(NC(=O)NNC(=O)c2ccccc2O)cn1	756829372	HMYFPTBRECZPMD-UHFFFAOYSA-N	303.322	1.636	50	20	DDGD	
COC(=O)c1coc(C=NNC(=O)COCc2ccccc2)c1	758124566	OBSDVZFLSIFLJI-UHFFFAOYSA-N	316.313	1.733	50	20	DDGD	
CCCNC(=O)CCCC(=O)NC[C@]1(C)C[C@@H]1Br	857404864	ZZXRHUHKDKYWRR-GWCFXTLKSA-N	319.243	1.973	50	20	DDGD	
C[C@@H]1CCC[C@H](NC(=O)NNC(=O)c2cccc(F)n2)[C@@H]1C	853227610	RFWWTVUFVZVJDZ-MXWKQRLJSA-N	308.357	1.989	50	20	DDGD	
O=C(NCc1ccc(C2CCC2)cc1)NNC(=O)c1cn[nH]c1	858397668	QHHGJGCJYGFEHV-UHFFFAOYSA-N	313.361	1.821	50	20	DDGD	
Cn1nc(C(F)(F)F)cc1/C=C(\C#N)S(=O)(=O)NC1CC1	853007344	URAVROTYWJPNTQ-RUDMXATFSA-N	320.296	1.385	50	20	DDGD	
CC[C@@H](CC1CCCCC1)C(=O)NNC(=O)CS(C)(=O)=O	863463521	LSQQZPPJZAAAHZ-LBPRGKRZSA-N	318.439	1.175	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1C[C@H]2CC=CC[C@H]2C1	868210333	LAOLIDCBHIKBNK-OKILXGFUSA-N	300.362	1.263	50	20	DDGD	
Cc1cc(=NNC(=O)CCCN(C)C(=O)OC(C)(C)C)cc[nH]1	862510617	MRUXBUZVLOJOLV-UHFFFAOYSA-N	322.409	1.902	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)Cc1ccco1	764042681	LKKBYNFGSJVSFV-UHFFFAOYSA-N	306.343	1.467	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1	765569457	KRHFYFLONXRJKY-SECBINFHSA-N	322.390	1.572	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1csc2c1CCCC2	869913488	YXKQHPPWFFQJOK-UHFFFAOYSA-N	312.391	1.051	50	20	DDGD	
CC(C)Cc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)s1	931246191	ADDMFMFNQVKQEJ-UHFFFAOYSA-N	323.418	1.330	50	20	DDGD	
CCn1ncc2cc(C(=O)NN=c3cc[nH]c(C)c3)c(C)nc21	862513714	LADBIRAZNVPXBL-UHFFFAOYSA-N	310.361	1.642	50	20	DDGD	
COc1ccc(NNC(=O)c2c[nH]c(C)cc2=O)c([N+](=O)[O-])c1	768332336	IRYICUSCHFDJSN-UHFFFAOYSA-N	318.289	1.357	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(F)nc2)c([N+](=O)[O-])c1	769310229	INBCUXGLPYTWGG-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
CC(CCc1ccc(F)cc1F)=NNC(=O)[C@@H]1CCC(=O)N1	863153538	VMHRFTQNDNXRAR-ZDUSSCGKSA-N	309.316	1.668	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)O)CN(S(=O)(=O)CC(C)(C)CCl)C1	864495962	ODIMADVALQVXPN-ZJUUUORDSA-N	311.831	1.624	50	20	DDGD	
C[C@@]1(CNC(=O)c2cnc3nccn3c2)C[C@H]1Br	869357269	PSUQFEFDCZITDN-SKDRFNHKSA-N	309.167	1.633	50	20	DDGD	
C[C@H](NC(=O)NNc1ccccc1S(C)(=O)=O)c1ccc[nH]1	760350173	WSPKOEUTFGLYEE-JTQLQIEISA-N	322.390	1.806	50	20	DDGD	
CCNC(=O)N(C)N=Cc1cc(O)c(O)c(Br)c1	769593989	JOMHUJONKSATAM-UHFFFAOYSA-N	316.155	1.856	50	20	DDGD	
O=C(NC[C@H]1CCCCN1C1CC1)NNc1ncncc1Cl	764839300	GQNCNIZTOGUVHV-LLVKDONJSA-N	324.816	1.773	50	20	DDGD	
O=C(NNC(=O)C1CC1)C(=O)Nc1ccccc1-c1ccccc1	763561487	IHJZNSZAWHCLSJ-UHFFFAOYSA-N	323.352	1.850	50	20	DDGD	
CN(C(=O)OC(C)(C)C)C1(C(=O)NN=c2cc[nH]cc2)CCC1	860676338	SEUDHQLOZIYULJ-UHFFFAOYSA-N	320.393	1.736	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc2c1CCCC2)[C@@H]1CCC(=O)N1	860322841	OIZMRWPJAWLXSZ-RISCZKNCSA-N	301.390	1.923	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)n1	862518508	VFWPBQITIDIXPO-JHJVBQTASA-N	302.378	1.528	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@H]1CCN1C(C)(C)C	862992766	IEWAFCSJKJJIHL-CYBMUJFWSA-N	319.405	1.258	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)ns1	767415457	PSENPOZBTBHOHS-UHFFFAOYSA-N	319.386	1.908	50	20	DDGD	
COCc1ccc(C=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)o1	764661795	HCEGVUMEIWLVBU-UHFFFAOYSA-N	318.289	1.680	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)Cn2nnc(-c3ccccc3)n2)CCO1	773187061	LXXMRRQBZJEUIG-LLVKDONJSA-N	314.349	1.011	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cnn(-c2ccccc2)n1	772853387	FISLYBPNWIZYPO-UHFFFAOYSA-N	323.360	1.938	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CC[C@@H](C)OC)c1	874949885	HPGVCTGAACYGCW-LLVKDONJSA-N	305.403	1.801	50	20	DDGD	
Cc1cccc(NNC(=O)NCCOCC(F)(F)C(F)F)n1	875535008	IOERDNKTWHUMOX-UHFFFAOYSA-N	324.278	1.933	50	20	DDGD	
Cc1nc(N2CCOCC2)sc1C=NNC(=O)C1CCCC1	1115838910	AFTSXJLFPKMSNE-UHFFFAOYSA-N	322.434	1.928	50	20	DDGD	
O=C(CCNCC1CC1)NNc1ncc(Br)cn1	870950199	AEPAHNDYIPGLNN-UHFFFAOYSA-N	314.187	1.072	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCC1CC=CC1	875797877	CFQVJQLZUMFECW-NSHDSACASA-N	321.352	1.890	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CC(=O)NCC(F)(F)F	772855000	YUWGQIWTYSCQNG-UHFFFAOYSA-N	319.287	1.112	50	20	DDGD	
Cc1ccccc1CC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	771901436	AJYIEQIGPYXNPD-ZDUSSCGKSA-N	320.389	1.663	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)Nc2cccc3c2OCO3)cc1	773702232	RFBSTLJFJYMOIO-UHFFFAOYSA-N	324.296	1.369	50	20	DDGD	
O=C(NN=Cc1ncc(C2OCCO2)s1)c1ccncc1	772989538	GDRDGDFLMQNVRZ-UHFFFAOYSA-N	304.331	1.347	50	20	DDGD	
COc1ccc(C(=O)N(C)C)cc1NC(=O)NNC(=O)C(C)C	770339516	PUNZUSJIFVZUMB-UHFFFAOYSA-N	322.365	1.206	50	20	DDGD	
C=CCOc1cccc(NC(=O)NNC(=O)C2CCNCC2)c1	1118016250	UEKDEZFEPNJGRC-UHFFFAOYSA-N	318.377	1.404	50	20	DDGD	
CC(=NNC(=O)CNc1ccccc1)C1CCS(=O)(=O)CC1	777419854	DIMKFASSBMMONI-UHFFFAOYSA-N	323.418	1.415	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)CC(F)(F)F)c(F)c1	773791754	JFXLIRQGTRTRJM-UHFFFAOYSA-N	322.214	1.326	50	20	DDGD	
C[C@H](NCC(=O)NNC(=O)C(C)(C)C)c1cccc(C#N)c1	775338299	ORZFFRDHSBFAQQ-NSHDSACASA-N	302.378	1.402	50	20	DDGD	
CCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)CCCCl)C1	881844660	QLHMCHBBXLRJAD-GFCCVEGCSA-N	324.874	1.573	50	20	DDGD	
O=S(=O)(CCCCl)N1CC[C@@H](n2cc(Cl)cn2)C1	882209826	GDFWCZIVKBHXBY-SNVBAGLBSA-N	312.222	1.742	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N1CC[C@@H](CF)C1)c1ccccc1	883481911	GHOCRIDDFBWBDC-LBPRGKRZSA-N	307.369	1.996	50	20	DDGD	
CC(=NNC(=O)c1ccc(-n2cnnn2)cc1)[C@@H]1CCCOC1	779761084	HWCZJJSTBQCTOW-CYBMUJFWSA-N	314.349	1.195	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NC1(Cc2ccccc2)CC1	883750095	ZCOXCZGSDKOULP-UHFFFAOYSA-N	324.384	1.730	50	20	DDGD	
COC(=O)[C@@H](c1ccccc1)N(C)S(=O)(=O)CCCCl	881908893	WCGUDNUTVUAFDX-GFCCVEGCSA-N	319.810	1.791	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)c1ccncn1	787429968	XBVFROVALUPFKM-UHFFFAOYSA-N	305.725	1.274	50	20	DDGD	
COc1cccc(NNC(=O)c2cn(C)nc2C(F)(F)F)n1	780769865	WIHGOVLAGRSVTB-UHFFFAOYSA-N	315.255	1.599	50	20	DDGD	
CCc1[nH]nc(C(=O)NNC(=O)C(C)C)c1Br	789868182	APWLJNOAHHULQP-UHFFFAOYSA-N	303.160	1.152	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2cc(Cl)ccc2O)CCCOC1	781417006	ULPYFYCKCKTKKA-AWEZNQCLSA-N	312.753	1.623	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NNc1ccc(F)cc1Cl	885136913	KUIWINAWCCXTJG-JTQLQIEISA-N	315.776	1.891	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1c[nH]cc(C)c1=O	781431734	LYYDLZJAEGATSK-UHFFFAOYSA-N	301.302	1.227	50	20	DDGD	
CN(C)CCOCCNC(=O)NNc1ccccc1Cl	788016480	GQNXKYIEQFWHQN-UHFFFAOYSA-N	300.790	1.544	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc2c(c(OC)c1)O[C@H](C)C2	780712177	UIVDUMKOKNYQIM-SECBINFHSA-N	307.350	1.325	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NC[C@@H](O)c1cccnc1	787454445	PIXNFUYTKRUVMH-FCONWMNKSA-N	309.325	1.544	50	20	DDGD	
O=C(NNc1ncncc1Cl)N[C@H]1CCc2n[nH]cc2C1	781003426	VAKCBFUQDBZIQW-QMMMGPOBSA-N	307.745	1.037	50	20	DDGD	
Cn1ncc(C(=O)NNc2cc(C(F)(F)F)ccc2F)n1	786448335	QKFBXBBBCZMVTD-UHFFFAOYSA-N	303.219	1.730	50	20	DDGD	
CN1CCN(S(=O)(=O)CBr)c2cnccc21	271360458	ISAJVNVTWQYRHW-UHFFFAOYSA-N	306.185	1.020	50	20	DDGD	
C/C(N)=C(\C#N)c1nc(-c2ccc(O)c(C(N)=O)c2)cs1	798227313	COUXUSPLGOBDDQ-YFHOEESVSA-N	300.343	1.828	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1)c1cnoc1C	799473789	QCMXKJNIQAJVDX-SDDRHHMPSA-N	322.409	1.569	50	20	DDGD	
O=C1Nc2cc(F)ccc2C1=NNC(=O)c1ccc(O)c(O)c1	794558258	MNUIBQASDKTVGR-UHFFFAOYSA-N	315.260	1.323	50	20	DDGD	
Cn1ncc2c1C[C@@H](C(=O)NNc1ncncc1Cl)CC2	798996292	WHXTZMABSOIBEL-QMMMGPOBSA-N	306.757	1.112	50	20	DDGD	
C[C@H]1COCCC1=NNC(=O)Cc1nc2ccccc2n1C	794470243	GGZKKMJVSCMCRV-NSHDSACASA-N	300.362	1.644	50	20	DDGD	
COCCCOCCN(C)CCI	191023425	PIYNZFYDZUIBFP-UHFFFAOYSA-N	301.168	1.406	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1ccn(C)c1	795168173	ILMKLOJDNUTZJJ-UHFFFAOYSA-N	322.390	1.032	50	20	DDGD	
CC(C)(C)OCCCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	794605389	PZLRCWDQEVMNHS-UHFFFAOYSA-N	323.349	1.951	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)COCc1ccccc1	796577945	IAKHSAMQNZQQRY-UHFFFAOYSA-N	301.346	1.555	50	20	DDGD	
CCCCO[C@@H]1CC(=NNC(=O)N2CCN(C)CC2)C1(C)C	790173429	FVOLDZYBRZVXFL-CQSZACIVSA-N	310.442	1.915	50	20	DDGD	
CN1C(=O)C(=NNC(=O)c2ccc(O)c(O)c2)c2ccccc21	794558075	WWEPSXISTUKKLB-UHFFFAOYSA-N	311.297	1.208	50	20	DDGD	
Cn1c(O)nc2ccc(C(=O)NNc3nc4ccccn4n3)cc21	791241749	AEVBDQKOWLTRMV-UHFFFAOYSA-N	323.316	1.079	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)c1ccc(OC)c(OC)c1	792789093	GMVNFPNMFKVEEU-QMTHXVAHSA-N	324.377	1.526	50	20	DDGD	
Cn1ccc(CCC(=O)NNC(=O)c2ccc(Cl)cc2F)n1	794367874	XEEHALDXZNRSQL-UHFFFAOYSA-N	324.743	1.606	50	20	DDGD	
COC(=O)N1CCC(=NNC(=O)CCN2CCC(C)CC2)CC1	1317902010	YRFLDYSFMYPXTM-UHFFFAOYSA-N	324.425	1.443	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NCc2ccncc2)nn1	1318641293	YVJOYXCYCCDDBP-UHFFFAOYSA-N	300.366	1.995	50	20	DDGD	
COCc1cnc(NC(=O)C(=O)NNc2ccc(C)cn2)s1	1324862213	YGFQDGREQNJLOL-UHFFFAOYSA-N	321.362	1.075	50	20	DDGD	
C#Cc1cccc(NC(=O)NNC(=O)c2n[nH]c3c2CCCC3)c1	1321011736	XEEOIJBWPMQYFC-UHFFFAOYSA-N	323.356	1.736	50	20	DDGD	
COc1cc(C(=O)NNC(=O)COc2cccc(C)c2)ccn1	1321709116	UYEXXSJOGHEAJW-UHFFFAOYSA-N	315.329	1.239	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)c1cnoc1C1CC1	1326822710	NYGQCLTXDRTLSB-UHFFFAOYSA-N	324.138	1.861	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc2ccccc2n1)N1C(=O)CCC1=O	1320109158	LDTWVWVEYRIWRI-JTQLQIEISA-N	312.329	1.215	50	20	DDGD	
CC(=NNC(=O)CCO)c1cc(Br)ncc1F	1323927285	ADKIHPLNQXDAII-UHFFFAOYSA-N	304.119	1.206	50	20	DDGD	
C=C[C@@H](COC)NC(=O)NNC(=O)Cn1ccc2ccccc21	1324023428	UZPOEQCDBYKYJU-ZDUSSCGKSA-N	316.361	1.173	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2cccc(F)c2[N+](=O)[O-])no1	1321157175	QAILUMOAKSCFGQ-UHFFFAOYSA-N	323.240	1.112	50	20	DDGD	
CC(C)(C)OC(=O)c1cccc(C=NNC(=O)C[N+](C)(C)C)c1	1326864302	RVERLGLSMYHWLU-UHFFFAOYSA-O	320.413	1.798	50	20	DDGD	
Cc1c(CC(=O)NNc2ccc(C(C)(C)C)nn2)cnn1C	1324692924	NVDAHRKSAIEFIE-UHFFFAOYSA-N	302.382	1.502	50	20	DDGD	
CN(NC(=O)CC1(CC(=O)N2CCOCC2)CCCC1)C1CC1	1325902791	HFHCOZVCBCJAGJ-UHFFFAOYSA-N	323.437	1.311	50	20	DDGD	
COC(=O)c1cccc(C=NNC(=O)c2sc(N)nc2C)c1	1252945024	RZQIHZAINDFLRJ-UHFFFAOYSA-N	318.358	1.584	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)CC(C)C)c1ccc(F)cc1	1252727956	RJECOAIVYGLPLT-ZDUSSCGKSA-N	311.357	1.890	50	20	DDGD	
CN1CCN(C(=O)CN(C)C(=O)c2cccc(CCl)c2)CC1	1336036067	PBLIKKACIIEALQ-UHFFFAOYSA-N	323.824	1.271	50	20	DDGD	
C[C@H](CCNC(=O)NNC(=O)C1CCNCC1)CC(C)(C)C	1331455415	JWIHVHOFTITVST-GFCCVEGCSA-N	312.458	1.779	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc2sc(C)nc2c1	1336902605	BQEXIMIYQGNFSB-UHFFFAOYSA-N	322.346	1.321	50	20	DDGD	
C[C@H]1CCC[C@@H]1CC(=O)NNC(=O)c1n[nH]c2c1CCCC2	1338117760	HLTKYBRIYJAUFG-WDEREUQCSA-N	304.394	1.876	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCC(C)(C)C2=CCOCC2)cn1	1348244392	JYDRKVGTRXNVOH-RIYZIHGNSA-N	314.389	1.816	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccc(N2CCCCC2)c(F)c1	1352983837	QDWDOXZVSBMLES-UHFFFAOYSA-N	324.356	1.351	50	20	DDGD	
O=C(NCC1(C(=O)O)CC1)NNC(=O)c1cc2c(s1)CCC2	1601468728	KCGOTGADINZWLW-UHFFFAOYSA-N	323.374	1.046	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1ccoc1CC(=O)O	1600584958	CBRYXJSNAVLHAR-UHFFFAOYSA-N	317.301	1.682	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)O)CCN1CCCI	1607445404	SKLQMMZQXFOOFD-RKDXNWHRSA-N	311.163	1.997	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCc1ccccc1C(=O)O	1609970469	JTUOJYRISDGTSV-UHFFFAOYSA-N	307.350	1.448	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)c1cc(-c2nn[nH]n2)c[nH]1	1606861343	VMBUNZZLVOQYRL-UHFFFAOYSA-N	305.248	1.230	50	20	DDGD	
CCc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c(O)c1	1609251792	AKCVQTWEYDWAJT-UHFFFAOYSA-N	324.344	1.892	50	20	DDGD	
CCCc1c(C(=O)NN=c2cc[nH]c(C)c2)[nH]c(C)c1C(=O)O	1605366130	NIEKWNHPWZUZST-UHFFFAOYSA-N	316.361	1.856	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cnn(C(F)F)c1	1606857806	SPPUPACPUCSEBK-UHFFFAOYSA-N	320.263	1.215	50	20	DDGD	
O=C(NCC1(Cc2ccccc2)CCCC1)NNC(=O)C(=O)O	1601476210	NFXBBCSCXQBMRE-UHFFFAOYSA-N	319.361	1.205	50	20	DDGD	
C[C@@H](CBr)COC(=O)c1cnc(C(=O)O)cn1	1609865229	UDDAOSRBVLMGOH-LURJTMIESA-N	303.112	1.363	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)N[C@@H]1CO[C@H](C2CC2)C1	1601556652	GVNHJUOKCPSRGM-GWCFXTLKSA-N	323.324	1.718	50	20	DDGD	
O=C(c1cccc(CCl)c1)N1C[C@H]2COC[C@@]2(C(=O)O)C1	1606553069	GFUJVPXDNPXDFT-WFASDCNBSA-N	309.749	1.599	50	20	DDGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)[C@H]1C[C@H]1C(=O)O	1601559477	SONLGDBYYVJWCP-VHSXEESVSA-N	318.251	1.792	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1CNC(=O)NNc1cccc(C(=O)O)c1	1610230278	BHGMTCGAKBKCJI-DGCLKSJQSA-N	307.350	1.826	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C[C@@H](N)C2CC2)cc1C	1579723754	KSDUCTYCBQLXQV-CYBMUJFWSA-N	306.435	1.748	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H]1Cc2ccc(O)cc2N1)C1CC1	1576233124	FVWWAQUHVLXONN-SDBXPKJASA-N	320.418	1.023	50	20	DDGD	
O=S(=O)(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(CCl)cc1	1580869750	FJGUWFJUPTVKQZ-KGYLQXTDSA-N	300.811	1.597	50	20	DDGD	
C=C(CBr)CN(C)[C@H](COC1CCC1)C(=O)O	1588605215	DCOHBHDWKYOAEK-LLVKDONJSA-N	306.200	1.892	50	20	DDGD	
NC1(CNC(=O)NNc2ccc(Cl)cc2F)CCOCC1	1580150564	YHYHAFGUENGNBA-UHFFFAOYSA-N	316.764	1.613	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@@H]1CC[C@H]2CCN[C@H]1C2	1580739533	INUXSKXASOVFNL-AEJSXWLSSA-N	310.789	1.287	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@]1(F)c1ccccc1)C1CCNCC1	1580732720	HNKLUUOGGYZHFZ-CJNGLKHVSA-N	305.353	1.018	50	20	DDGD	
N#CCCCC[C@H](N)C(=O)NNc1cc(C(F)(F)F)ccn1	1580050929	RPUGJQVXHOCWQA-JTQLQIEISA-N	315.299	1.955	50	20	DDGD	
NCCCCCC(=O)NNC(=O)Cc1nc(C2CC2)cs1	1580292737	NMIXAGWPBGDWPS-UHFFFAOYSA-N	310.423	1.230	50	20	DDGD	
O=C(NNC(=O)[C@H](C(=O)O)C1CCCC1)c1ccccc1Cl	1594779455	RWBTVGVQCHITMS-GFCCVEGCSA-N	324.764	1.992	50	20	DDGD	
CC[C@H](NNC(=O)c1cc(F)ccc1Br)C(=O)O	1595305835	NHSWQSWAQIZWOL-VIFPVBQESA-N	319.130	1.686	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@@](C)(C(=O)O)c2ccccc2)cn1	1594535715	AHTFMSQEPKYRLV-KMGMULKOSA-N	324.340	1.443	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1cn(C)nc1C	1599376810	TWLFXWKBUJBXGR-UHFFFAOYSA-N	304.306	1.192	50	20	DDGD	
Cc1c(C(=O)O)cc(C=NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)n1C	1599984550	PYJLJEOSIGDFMT-KGYLQXTDSA-N	305.334	1.049	50	20	DDGD	
CN(NC(=O)Nc1cccc(OCC(=O)O)c1)c1ccccn1	1598541419	NBNQCOYOQYPCIU-UHFFFAOYSA-N	316.317	1.718	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@]2(C(=O)O)CC2(C)C)c1F	1593898465	UEJRYSTYJFDKSF-OAHLLOKOSA-N	324.308	1.556	50	20	DDGD	
CCn1ncc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)O)cc2)n1	1776129950	BHAOALCBJKVMLL-XFFZJAGNSA-N	311.301	1.542	50	20	DDGD	
Cn1nnc2cc(C=NNC(=O)c3cccc(C(=O)O)c3)ccc21	1776095422	XYBIBFKHOKKCLC-UHFFFAOYSA-N	323.312	1.430	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1ccc(/C=C\C(=O)O)cc1	1776116014	PHRFYAQNEFRWEN-KOORZVIOSA-N	301.298	1.881	50	20	DDGD	
CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Cl)C1	1778023030	ODFFDRKPFUNSCI-NTZNESFSSA-N	306.765	1.055	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2cn3c(n2)CCCC3)CC[C@H]1C(=O)O	1776105650	YPVYRMQOUOQDJP-CMPLNLGQSA-N	318.377	1.826	50	20	DDGD	
CC(C)OCc1ccc(NC(=O)NNC(=O)CN(C)C)cc1	158398933	KXXMFHYOHPVASV-UHFFFAOYSA-N	308.382	1.326	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2(c3cccc(F)c3)CC2)[nH]n1	151196724	MWMCQWXDIULVJM-UHFFFAOYSA-N	302.309	1.350	50	20	DDGD	
CC(C)Cn1ncc(C(=O)NNc2ncccn2)c1C1CC1	152954347	RKXVAEPEGVGLST-UHFFFAOYSA-N	300.366	1.963	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2cnn(-c3ccccc3)n2)c1	152592024	IBHZRVNNTCHQBY-UHFFFAOYSA-N	304.313	1.896	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2c(C)nn(C)c2C)c(O)c1	153378581	YHDKUMUUORRCPQ-UHFFFAOYSA-N	302.334	1.126	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)nc1	157384609	QWZLHCJRBNQWDQ-RTXFEEFZSA-N	306.366	1.530	50	20	DDGD	
CC1(C)CCCC[C@H]1NC(=O)NN[C@]1(C)CCS(=O)(=O)C1	156725154	LCILLWALKLTWHA-BXUZGUMPSA-N	317.455	1.336	50	20	DDGD	
NC(=O)c1cccc(OCCC(=O)NNc2cccc(F)c2)c1	154808382	MMKIIMOABRMDBF-UHFFFAOYSA-N	317.320	1.837	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)/C=C/c2ccco2)cc1	8350273	LXRKWYNRMMPEGB-BQYQJAHWSA-N	311.297	1.391	50	20	DDGD	
O=C(CNC(=O)OCc1ccccc1)NNc1ccncc1	180450951	XOHSYIIDJHTMIF-UHFFFAOYSA-N	300.318	1.451	50	20	DDGD	
C=C(C)CNC(=S)NNC(=O)COc1ccc(C#N)cc1	7622376	HWUMOMUXGQDQLX-UHFFFAOYSA-N	304.375	1.008	50	20	DDGD	
O=C(NN=C1c2ccccc2-c2ccccc21)C(=O)NC1CC1	8218606	UGJWEDXITWBDKT-UHFFFAOYSA-N	305.337	1.814	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CCc1ccc(C#N)cc1	109144609	NWIYWYHEQKKHHF-UHFFFAOYSA-N	323.352	1.961	50	20	DDGD	
Cc1ccc2c(CC(=O)NNC(=O)c3cccn3C)c[nH]c2c1	101852592	RRNXCKULWCOMSJ-UHFFFAOYSA-N	310.357	1.819	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC[C@H]2CCC[C@@H](C)C2)n1	56815000	SPLIEYCZCABOIY-RISCZKNCSA-N	321.425	1.657	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)c1ccc[nH]1)Oc1ccccc1	114031860	RNPKSLXUGJCTRP-LLVKDONJSA-N	302.334	1.426	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H]1C[C@@]12CCc1ccccc12	174667090	VAGBWNRMPNIAJO-RHSMWYFYSA-N	317.389	1.257	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NC[C@@H]1Cc2ccccc2O1	103178685	HSJXONULUQLIAK-LBPRGKRZSA-N	305.378	1.757	50	20	DDGD	
Cc1c(CCC(=O)NNc2cccc([N+](=O)[O-])c2)cnn1C	179465568	HTFKNKYPEVCPAX-UHFFFAOYSA-N	303.322	1.713	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNc2nccnc2Cl)c1	114897489	RPAXJYUEXQIGSE-UHFFFAOYSA-N	308.725	1.904	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2ncc(C)s2)n1	175586509	LHSXUQHKBACMNX-UHFFFAOYSA-N	308.367	1.385	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc2c(C)cc(C)cc2[nH]1	68461422	PRSOPNSZDLIQGS-UHFFFAOYSA-N	318.377	1.765	50	20	DDGD	
NC(=O)c1ccc(NC(=O)NNc2ncccc2Cl)cc1	65804093	IJLIUSGZCNRGGJ-UHFFFAOYSA-N	305.725	1.983	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)c1cncc(O)c1	111568955	ARGOXNIKJQTEBJ-UHFFFAOYSA-N	321.336	1.944	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Cc1cc(Cl)ccc1Cl	113427207	SHBMORFAQIILCT-UHFFFAOYSA-N	304.177	1.245	50	20	DDGD	
CC/C(=C\C(=O)NNC(=O)c1cnn(C)c1)c1ccc(C)cc1	172858305	HGHAAZGOKNMKMV-UKTHLTGXSA-N	312.373	1.983	50	20	DDGD	
CC(C)CCOCCNC(=O)NNC(=O)Cc1cccnc1	170879706	UPVDNDCCXCRZGQ-UHFFFAOYSA-N	308.382	1.017	50	20	DDGD	
COc1ncc(C)cc1NC(=O)NNc1nc(C)cc(C)n1	179888555	UAXISEFYJRILSH-UHFFFAOYSA-N	302.338	1.954	50	20	DDGD	
CCCCCCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	29604784	OJAHDRKWYCVXIX-AWEZNQCLSA-N	306.362	1.944	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)C[C@H]1CCC[C@@H]1O	305287031	CZPFUPBWLVBJIR-OLZOCXBDSA-N	313.829	1.972	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1n[nH]cc1Br	1349610636	CXUFTKYBELLCEP-UHFFFAOYSA-N	300.091	1.463	50	20	DDGD	
COC(=O)C[C@@H](C)NS(=O)(=O)c1ccc(CCCl)cc1	312339620	GFQBKXGYDLLAPT-SNVBAGLBSA-N	319.810	1.698	50	20	DDGD	
COc1ccnc(C(=O)NNC(=O)c2cc3ccccc3o2)c1	177746032	CMKLGEBMFRHTEC-UHFFFAOYSA-N	311.297	1.911	50	20	DDGD	
CC(C)NC(=O)NNC(=O)Cc1cccc(C(F)(F)F)c1	63270707	XWQHKFIRQXLKBS-UHFFFAOYSA-N	303.284	1.987	50	20	DDGD	
Cc1cccnc1CNC(=O)NNC(=O)Cc1ccccc1F	66978566	DKRKYVDMZZFKRA-UHFFFAOYSA-N	316.336	1.602	50	20	DDGD	
Cc1cccc(OCCN(C)S(=O)(=O)CBr)c1	126709532	OHPCQURFRCAAQY-UHFFFAOYSA-N	322.224	1.988	50	20	DDGD	
CCC(CC)n1nccc1C(=O)NNC(=O)NCc1ccco1	123548932	HVNVURDILGWBPP-UHFFFAOYSA-N	319.365	1.981	50	20	DDGD	
CS[C@@H](CO)[C@@H](C)NC(=O)c1c(C)nn(CCCl)c1C	126509933	HZXMRKSVXDGQJC-KCJUWKMLSA-N	319.858	1.581	50	20	DDGD	
O=C(NCC1CC1)N/N=C1\C(O)=Nc2ccc([N+](=O)[O-])cc21	64921634	GZYKLQHMLJRODT-UHFFFAOYSA-N	303.278	1.610	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	123174983	WWERYAIAHJLEHO-BFHYXJOUSA-N	311.426	1.960	50	20	DDGD	
Cc1nn(-c2ccccc2)cc1NC(=O)NNC(=O)c1ccc[nH]1	184200890	NHPYSQOVIWIRHE-UHFFFAOYSA-N	324.344	1.975	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2cccc([N+](=O)[O-])c2)cn1	181497742	YEPOXZTVDAKKTL-UHFFFAOYSA-N	315.289	1.380	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2)N(C)C	126326361	SNXBTWIHUHAMQL-PWSUYJOCSA-N	323.462	1.974	50	20	DDGD	
Cc1noc(Cl)c1CCC(=O)NNC(=O)c1cccn1C	125831519	SGLWXKYTBDOKSA-UHFFFAOYSA-N	310.741	1.369	50	20	DDGD	
O=C(CCCNC(=O)NC1CCCCC1)NNc1ccncc1	180505618	GBHHIDCAJNEMRD-UHFFFAOYSA-N	319.409	1.937	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)CCSc1nnnn1C	184386287	MAGIHPSINSFBBU-UHFFFAOYSA-N	310.358	1.283	50	20	DDGD	
COc1cccc(CNC(=O)NNc2ccc(Cl)nn2)c1	31023844	KVROXDGTZOVYPW-UHFFFAOYSA-N	307.741	1.965	50	20	DDGD	
COC(=O)[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)NC2CC2)cc1	123379499	QMENSTANDQWYMB-NASPGAHYSA-N	314.341	1.812	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccc(C)n2C)cc1	78771614	SCRIBEITXRZADA-UHFFFAOYSA-N	300.362	1.515	50	20	DDGD	
CCCC[C@@H](NC(N)=O)C(=O)NNc1cc(F)c(F)c(F)c1	128808376	ORZUPDZXCRZMHF-SNVBAGLBSA-N	318.299	1.774	50	20	DDGD	
CCC(CC)[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc[nH]2)CCO1	183747410	UGFIDGSPSRYIQB-TZMCWYRMSA-N	322.409	1.943	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)COCc2ccccc2)o1	73854817	XAVDISIWPOHISM-UHFFFAOYSA-N	303.318	1.269	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1ccc(C)nn1)c1ccc(F)cc1	80595708	UQAJGVBXUNSALP-ZDUSSCGKSA-N	319.340	1.938	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN[C@H]2CCCC2(C)C)n1	191847379	PQKLKIKRYOCCMF-NSHDSACASA-N	324.450	1.310	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1	134873133	SKHITKQVUAXBHX-UHFFFAOYSA-N	323.696	1.355	50	20	DDGD	
O=C(CCc1ccncn1)NNC(=O)Cn1ccc2ccccc21	192348598	DEZSPHMVBPFDOO-UHFFFAOYSA-N	323.356	1.212	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNc1nc2ccccc2c(=O)[nH]1	137183325	DVUXALPRMSKLAG-SNVBAGLBSA-N	302.334	1.347	50	20	DDGD	
COc1ccc2nc(NNC(=O)c3n[nH]nc3C)c(C)cc2c1	194463802	VWBHYXYRZAECIF-UHFFFAOYSA-N	312.333	1.735	50	20	DDGD	
Cc1cc(Br)cc(C(=O)NNC(=O)C(C)(C)O)c1	192918239	VZZKJJYZFJXLKV-UHFFFAOYSA-N	315.167	1.289	50	20	DDGD	
COCCCN(C)C(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	194517954	QAQVLTDESZXVNI-RIYZIHGNSA-N	300.362	1.607	50	20	DDGD	
COC(=O)C1(C(=O)NNC(=O)c2ccc(Cl)cc2F)CC1	133209495	NRGNPYMUIYRVSO-UHFFFAOYSA-N	314.700	1.193	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@@H]1CCOc2ccccc21	191898585	JHXNACASNITIIX-GFCCVEGCSA-N	309.329	1.739	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NNC(=O)NCC)c1C	221575746	JZUSXQCEWUZJCU-NTEUORMPSA-N	317.393	1.772	50	20	DDGD	
C[C@@](O)(CNS(=O)(=O)c1ccc(CCl)cc1)C1CC1	381889259	PURZFUIEIFSSDT-CYBMUJFWSA-N	303.811	1.865	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cnc(-c2ccccc2F)s1	194937819	TZGAEXIGEOVCEK-UHFFFAOYSA-N	308.338	1.865	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)Nc1ccncc1	98022493	XGFRZTOLYHBAAQ-UHFFFAOYSA-N	314.345	1.876	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cccc(C)c1F	94121381	OGPZCJPOAVDTFW-UHFFFAOYSA-N	301.412	1.606	50	20	DDGD	
CC(C)(C(=O)NNC(=O)C1CCC1)c1ccc([N+](=O)[O-])cc1	266094341	ZYGMHUAENOSWNY-UHFFFAOYSA-N	305.334	1.820	50	20	DDGD	
CCCCS[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccccn1	268244908	HTGCRAGQXDOKRJ-SNVBAGLBSA-N	324.406	1.089	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)c1cc(C2CC2)on1	264519015	MNAIPVWYYRKGMG-UHFFFAOYSA-N	317.301	1.098	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)c1	365700677	ZDBOUAZEDRCCLO-OUJBWJOFSA-N	322.752	1.101	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	279234384	GQSWKRZJMSHBIP-UHFFFAOYSA-N	313.285	1.766	50	20	DDGD	
Cn1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C(C)(C)C)n1	277011945	VRYYPXBDNZRPMS-ONGXEEELSA-N	309.370	1.024	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1cccnc1Br	273476721	SWQIQVSBUSNBDH-UHFFFAOYSA-N	313.155	1.797	50	20	DDGD	
Cc1ccc2c(c1)C(=O)N(CC(=O)N1CC=C(C#N)CC1)C2=O	272691399	QJRNPGPIXQUOBK-UHFFFAOYSA-N	309.325	1.273	50	20	DDGD	
C=C(C)[C@@H](CC(=O)NNC(=O)COc1ccccc1O)OCC	270101181	ZQUVAPZWLLGXAJ-CQSZACIVSA-N	322.361	1.290	50	20	DDGD	
C=C(CBr)CN(C)Cc1ncnn1CC(F)F	279337366	PIZCDUUJDSLUNW-UHFFFAOYSA-N	309.158	1.926	50	20	DDGD	
C=C(CBr)CN1CCOC[C@@H]1c1noc(C)n1	375680170	RELYJEYLTFPOAK-SNVBAGLBSA-N	302.172	1.702	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C	271468117	YEMDNDXPVNFNIE-UHFFFAOYSA-N	324.381	1.503	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NOC1CCCC1	271603231	AEWPEIFQHBSXBY-UHFFFAOYSA-N	307.350	1.442	50	20	DDGD	
CC(C)(C)OC(=O)CCC(=O)NNC(=O)c1ccc(C#N)cc1	277964079	HIDVYYTYAYLGKU-UHFFFAOYSA-N	317.345	1.441	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@](C)(CC)OC	279892207	ACYTVBSSFUAXBT-MRXNPFEDSA-N	308.378	1.590	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@H]2CCN(CC(F)(F)F)C2)c1	280681381	VOQTZAIGNACOGT-JTQLQIEISA-N	302.300	1.717	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H]2CN3CCCN2CC3)cc1Cl	370575870	MZLIZTJBKNOCJH-CQSZACIVSA-N	319.796	1.045	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCC1=CCCOC1)c1ccccc1	288069582	TXWYTLNYIOGFJR-UHFFFAOYSA-N	317.389	1.641	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@H]1CC(=O)c2ccccc21	281339362	UQLUSUGAHMXUMI-VIFPVBQESA-N	315.251	1.249	50	20	DDGD	
CSSCCNC(=O)c1ccccc1S(C)(=O)=O	283955725	GIBSYLAIRGPCQW-UHFFFAOYSA-N	305.446	1.831	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNc1ccc2c(O)nccc2c1	285544188	AQNOWQVULIKDDI-UHFFFAOYSA-N	318.333	1.518	50	20	DDGD	
C[C@H](OC[C@H]1CCCO1)C(=O)NNc1nccnc1C1CCC1	287184823	LUVMMQRFBXAQGS-WCQYABFASA-N	320.393	1.771	50	20	DDGD	
COC1(C(=O)NNc2cc(F)c(F)c(F)c2)CCOCC1	285300846	OSMUYQQFUORDAQ-UHFFFAOYSA-N	304.268	1.743	50	20	DDGD	
CC/C=C/CNC(=O)NNC(=O)CCc1ccc(OC)cc1	298544516	WYWZLJGHZPGNMS-SNAWJCMRSA-N	305.378	1.924	50	20	DDGD	
CS(=O)(=O)Nc1ccc(C(=O)NNc2ncccc2F)cc1	804213608	CXSKCVCCQLKFSF-UHFFFAOYSA-N	324.337	1.349	50	20	DDGD	
NC(=O)[C@H]1CCC[C@@H](C(=O)NNc2nccnc2C2CCC2)C1	805464545	ZNZAAXMHJOMYQX-NWDGAFQWSA-N	317.393	1.479	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)Cc1nnc(O)o1	808098909	YTIBERJTLOTFQW-UHFFFAOYSA-N	313.745	1.100	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2cccc(C)n2)ccn1	806662124	UNGWCCPZIORWRL-UHFFFAOYSA-N	301.306	1.260	50	20	DDGD	
O=C(NNc1nnc[nH]1)[C@@H]1CCCCN1Cc1ccc(F)cc1	293894687	KPXDUDAIHMLEOL-ZDUSSCGKSA-N	318.356	1.442	50	20	DDGD	
C[C@@H]1CC(=O)N[C@H](C(=O)NNC(=O)C(C)(C)c2ccccc2)C1	294167776	SFMCTMQBBGRLBT-AAEUAGOBSA-N	317.389	1.026	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1ccc(OC(C)C)nc1	298665138	KDJUUHXEYXAWLY-UHFFFAOYSA-N	308.382	1.745	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@@H]1OC[C@H]2COCC[C@H]21	290378934	BOEBOWNIICVSLQ-FXPVBKGRSA-N	320.374	1.186	50	20	DDGD	
Cn1cc(C(=O)NNc2ncccc2F)c(-c2cccnc2)n1	804213833	QYWMEBIDEWGSEE-UHFFFAOYSA-N	312.308	1.773	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(Cl)c(C)cc1Br	804290356	OHHOYSIQFAZFEA-UHFFFAOYSA-N	320.574	1.985	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1cnc2ccccc2c1	800833458	ZDQUTSZXLWEMFD-UHFFFAOYSA-N	307.375	1.590	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CN2[C@@H](C)CC[C@@H]2C)cc1	802061268	TZBIRDNTTFJVIM-RYUDHWBXSA-N	320.393	1.721	50	20	DDGD	
C[C@]1(CNC(=O)NNc2ccc3c(=O)[nH]ccc3c2)CCOC1	806801124	RELIPJGQIGHROQ-MRXNPFEDSA-N	316.361	1.581	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)ccn1	802119217	BVPMLMUBBKCNAG-UHFFFAOYSA-N	313.361	1.923	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N[C@H]1CC[C@@H](CO)C1)c1ccccc1	296664589	OWYGBQGLUAKCMM-OCCSQVGLSA-N	319.405	1.456	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCCCC(=O)C1	811385538	MJIDWSHPMMUJCI-GHMZBOCLSA-N	312.366	1.015	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@]1(C)CC1(F)F	817709556	VNIDRRISPKNYNC-ZDUSSCGKSA-N	313.304	1.300	50	20	DDGD	
Cn1ccc(CCC(=O)NNc2ccc3c(=O)[nH]ccc3c2)n1	816602064	HNXFJRQJQWVDFC-UHFFFAOYSA-N	311.345	1.338	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(COCCOC)cc1	812533389	AEPUXPHZTUVINC-UHFFFAOYSA-N	323.393	1.594	50	20	DDGD	
CCS(=O)(=O)c1ccc(Cl)c(C(=O)NN(C)C2CC2)c1	819648045	WINVVFLXHAERTK-UHFFFAOYSA-N	316.810	1.873	50	20	DDGD	
Cc1cc(NC(=O)[C@@H](C)SCC(=O)NN(C)C2CC2)no1	819640929	HJIMUZHAWHGVNS-SECBINFHSA-N	312.395	1.169	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CC(c2cc(F)cc(F)c2)C1	814761427	VWUNHUGNSGBQFB-UHFFFAOYSA-N	321.327	1.937	50	20	DDGD	
O=C(O)CCNC(=O)NNC(=O)c1ccc2ccccc2c1	819492368	FOIOMXBBPAWHAR-UHFFFAOYSA-N	301.302	1.259	50	20	DDGD	
O=C(COc1ccccc1O)NN=C1CC(=O)N2CCCC[C@H]12	814953167	VOJOKGZMWZAWDZ-GFCCVEGCSA-N	317.345	1.028	50	20	DDGD	
CC1(C)OCCC1=NNC(=O)c1cccc(S(C)(=O)=O)c1	814802189	VHSOLTJJJBFUCB-UHFFFAOYSA-N	310.375	1.375	50	20	DDGD	
NC(=O)N1CCC(=NNC(=O)Nc2ccc(Cl)cc2)CC1	815005628	ZZEOHOKRYUKVAK-UHFFFAOYSA-N	309.757	1.992	50	20	DDGD	
CC(Cn1cccn1)=NNC(=O)Nc1ccc2c(c1)OCO2	814993086	SGHMRJZOLMFJPC-UHFFFAOYSA-N	301.306	1.809	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1ccc2c(c1)OCCCO2	814957241	DDAQKNQIUKEGGT-UHFFFAOYSA-N	314.345	1.654	50	20	DDGD	
COc1ccc(C(=O)NNc2cnnn2C)c(OCC(C)C)c1	816771308	HOSFFUOLMHZRTD-UHFFFAOYSA-N	319.365	1.615	50	20	DDGD	
N#CCn1c(C(=O)NNC(=O)c2cccnc2)cc2ccccc21	729295739	FMNVNHDBLCHQNK-UHFFFAOYSA-N	319.324	1.635	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NC2CCC(C3CCC3)CC2)cn1	823713526	CFVSYJQSOPXNRZ-UHFFFAOYSA-N	319.409	1.723	50	20	DDGD	
COc1cccc(-c2cc(C(=O)NN(C)[C@H](C)CO)on2)c1	823907079	HNJQGLOUYOXVRY-SNVBAGLBSA-N	305.334	1.308	50	20	DDGD	
O=C(CSC1CC1)NNC(=O)c1cc(Br)c[nH]1	822234083	CMMVHFMQYCEKBE-UHFFFAOYSA-N	318.196	1.434	50	20	DDGD	
O=C(Cc1cccc(-c2nn[nH]n2)c1)NNc1ccnc(F)c1	826423252	GAEPPIZGJBXDMJ-UHFFFAOYSA-N	313.296	1.087	50	20	DDGD	
COc1nccnc1NNC(=O)C[C@]1(C)CC1(Cl)Cl	828524123	JTLPNOODIIFKJO-SNVBAGLBSA-N	305.165	1.902	50	20	DDGD	
CCN(CCO)NC(=O)COc1cc(C)c(Cl)c(C)c1	823864784	DADFSDAIZGGYSU-UHFFFAOYSA-N	300.786	1.681	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@H]2CCCc3nn[nH]c32)o1	824633126	XWXFLVDOMMTIPV-QMMMGPOBSA-N	315.337	1.351	50	20	DDGD	
CCOC(=O)NNC(=O)Cc1ccccc1O[C@@H]1CCOC1	497070173	HMIOFHMUBDEUFV-GFCCVEGCSA-N	308.334	1.174	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NN(CC)CCO)cc1	823841043	BEEUJXFIHIKTKE-SDNWHVSQSA-N	303.362	1.338	50	20	DDGD	
Cc1csc([C@H](C)C(=O)NNC(=O)Cc2cccnc2)n1	826123034	CQUDEDUYMNRWED-SNVBAGLBSA-N	304.375	1.340	50	20	DDGD	
Cc1cc(C)n2nc(NC(=O)NNC(=O)CC(C)(C)C)nc2n1	728593251	CPSVPTMLBHFROB-UHFFFAOYSA-N	319.369	1.330	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@H](C)Oc1cccc2ccccc12	823929141	VJJFXVKDTYJMDG-QWHCGFSZSA-N	302.374	1.951	50	20	DDGD	
N#C/C(=C\c1cccc(OCC(=O)O)c1)C(=O)N=c1cc[nH]cc1	490814737	XNWFXSKLXKOTBY-MDWZMJQESA-N	323.308	1.513	50	20	DDGD	
COC[C@@H](C)NC(=O)NNC(=O)c1c(Cl)cccc1Cl	727939516	PRAZBBPYEAQJOG-SSDOTTSWSA-N	320.176	1.972	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H](C)OCC(C)C)c(C)c1	728205248	VXKYXSREMUUYFR-AWEZNQCLSA-N	321.421	1.924	50	20	DDGD	
CCN(CCO)NC(=O)c1cccc(OC)c1OC(F)F	823841980	NZENBBWLXSFKCF-UHFFFAOYSA-N	304.293	1.256	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccccc2O)c2n[nH]cc2c1	726619449	MDYIHVKUESYXIG-UHFFFAOYSA-N	310.313	1.652	50	20	DDGD	
O=C(CCc1ccccc1)NN=Cc1ccc(-c2nn[nH]n2)o1	822982785	IFIRUSKMUNHGGA-UHFFFAOYSA-N	310.317	1.543	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@@H](C(=O)NN(C)C(=O)OC(C)(C)C)C1	496949909	NMOAZQXEHNHIRF-GHMZBOCLSA-N	314.382	1.864	50	20	DDGD	
C#CCCCC(=O)NN=Cc1ccc(OCCN(C)C)cc1	901320671	GJPZANGSIRELFJ-UHFFFAOYSA-N	301.390	1.881	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(CN2CCCCC2)cc1	823928230	LPKCSZXQWSQXIW-AWEZNQCLSA-N	305.422	1.630	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@H]2CCN2C2CCCC2)n1	821832692	IMZHXLDTNNYIMU-SECBINFHSA-N	310.789	1.172	50	20	DDGD	
C[C@]1(C(=O)NCCN2CCSCC2)C[C@@H]1Br	906659647	FUDUEMJAXFXRMI-ONGXEEELSA-N	307.257	1.325	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](c1ccccc1)C(OC)OC	491133832	QIWUCNMENWOLOL-YBEMTRGBSA-N	304.346	1.907	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCC1(CC(N)=O)CC1	491051615	SVZBVDMTYAUSIL-KPKJPENVSA-N	301.321	1.504	50	20	DDGD	
CC(=NNC(N)=O)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1	495012572	PJDIEEJJUVZAJR-ZDUSSCGKSA-N	320.349	1.068	50	20	DDGD	
C[C@]1(C(=O)NCCCCn2ccnc2)C[C@H]1Br	906675774	FJAZAEJESUUKAR-PWSUYJOCSA-N	300.200	1.953	50	20	DDGD	
COC(=O)Nc1cccc(C(=O)NNc2nccc(OC)n2)c1	491122444	SXONXHPTSQVACM-UHFFFAOYSA-N	317.305	1.420	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2CCN3CCC[C@@H]3C2)C[C@H]1Br	906239587	KUBYVWSTPBZACL-UZWSLXQKSA-N	301.228	1.903	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@@H]1CCN(C2CC2)C1	734285504	OFSDDNORWWCLJK-SNVBAGLBSA-N	306.341	1.006	50	20	DDGD	
C[C@H](C[C@@H](O)c1ccc(F)cc1)NCc1ccc(B(O)O)cc1	585035204	QRPGWTWCEFJFQZ-SJKOYZFVSA-N	317.169	1.107	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2cccc(C(=O)O)c2)CCN1C	833600895	OFKIHYHESNNIHX-PWSUYJOCSA-N	306.366	1.494	50	20	DDGD	
COc1ccccc1C/C(C)=C/C(=O)NNC(=O)NCC1CC1	730216037	PFTPENWBSJFPEY-ZRDIBKRKSA-N	317.389	1.924	50	20	DDGD	
COc1cc(C)ccc1C=NNC(=O)CNC(=O)OC(C)(C)C	496458177	NFTXVLAUJHVVBJ-UHFFFAOYSA-N	321.377	1.978	50	20	DDGD	
COCC[C@H](C=NNC(=O)C(F)F)NC(=O)OC(C)(C)C	495989503	JXCQOILLNWELDV-MRVPVSSYSA-N	309.313	1.283	50	20	DDGD	
CC(C)Cc1ncc(NC(=O)NNC(=O)[C@H]2CCCCO2)cn1	836579734	OLCZQUQAEMSGJD-GFCCVEGCSA-N	321.381	1.397	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@H](O)C1CC1	834583904	IDVOCJNMTCAWPU-QPUJVOFHSA-N	312.753	1.026	50	20	DDGD	
CSCCCCC(=O)NNC(=O)COc1ccc(C#N)cc1	739678521	CHVNUXQGDPHDBQ-UHFFFAOYSA-N	321.402	1.618	50	20	DDGD	
CCOc1ccc(COC(=O)/C(C#N)=C\c2cnn(C)c2)nc1	837970236	ACKRVAOIVRNBBN-MLPAPPSSSA-N	312.329	1.864	50	20	DDGD	
OB(O)c1ccccc1CN[C@H]1CC[C@H](c2ccccc2F)C1	585039001	LXJHLQPEPHWPGQ-ZFWWWQNUSA-N	313.181	1.931	50	20	DDGD	
C#Cc1cccc(CNC(=O)NNC(=O)[C@@H]2CCCCO2)c1	836658155	IMPMDZGAJVADDJ-AWEZNQCLSA-N	301.346	1.067	50	20	DDGD	
CON1CCC(=NNC(=O)Cc2cn3ccccc3n2)CC1	834962484	IHEDAMUGUJLKDE-UHFFFAOYSA-N	301.350	1.006	50	20	DDGD	
CC(=O)OC1CCN(C(=O)[C@@]2(C)C[C@@H]2Br)CC1	907115923	PFJCGJQDHADYTJ-JQWIXIFHSA-N	304.184	1.714	50	20	DDGD	
C[C@@]1(C(=O)NCCNc2ncccc2C#N)C[C@H]1Br	906405323	ZZPNIPPBDHLOBN-ZWNOBZJWSA-N	323.194	1.655	50	20	DDGD	
COC(=O)[C@](C)(CO)NC(=O)CCCC[C@@H]1CCSS1	909580762	QMNXZPGVTZMQKG-MFKMUULPSA-N	321.464	1.741	50	20	DDGD	
C[C@@H](NC(=O)C1CCCC1)C(=O)NNc1ncc(F)cc1F	837206736	OQRQJEPEVKJLIH-MRVPVSSYSA-N	312.320	1.498	50	20	DDGD	
C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(B(O)O)cc1	584960175	ICVZDRDRUNOZAH-SUMWQHHRSA-N	309.174	1.385	50	20	DDGD	
COc1ccccc1NCC(=O)NN=Cc1c(C)noc1C	915920246	OLNMXCHSMURGHH-UHFFFAOYSA-N	302.334	1.862	50	20	DDGD	
CCn1cc(C=NNC(=O)c2nn(-c3ccccc3)cc2O)cn1	732528318	XEPDELHQRASVTC-UHFFFAOYSA-N	324.344	1.558	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H](C)CC(=O)c1ccc(Cl)cc1	910160831	OOUKZEQJJVRRHI-QWRGUYRKSA-N	312.797	1.893	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(-n2nncc2C)cc1	831993479	SNLSSEPLDIYREQ-SNVBAGLBSA-N	316.365	1.775	50	20	DDGD	
CCS(=O)(=O)CC(C)=NNC(=O)Cc1c[nH]c2ccccc12	733746618	WCTODMFGOIHCJD-UHFFFAOYSA-N	321.402	1.637	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H](C)c2cccc(O)c2)n1	732890275	XQADXQBAXKNNIQ-VIFPVBQESA-N	303.322	1.578	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)Cc1ccc(Cl)cc1)N(C)C	836620534	DPPFYXVEVJRIGJ-JTQLQIEISA-N	312.801	1.163	50	20	DDGD	
CCC1(C(=O)NNC(=O)c2cc(Br)c[nH]2)CC1	749335410	MJLFAWBYLYVHOT-UHFFFAOYSA-N	300.156	1.728	50	20	DDGD	
O=C(NNc1cc(O)nc2ncccc12)C1CCSCC1	913992997	OAZIAXRJFMTNGR-UHFFFAOYSA-N	304.375	1.922	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)c1ccccc1OC)C(C)C	743636889	HHPGZIGAKMSRHK-LBPRGKRZSA-N	309.366	1.310	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)C1CCN(C(C)=O)CC1	846642562	DHPFEXWLRPCXRM-UHFFFAOYSA-N	309.341	1.536	50	20	DDGD	
Cc1nn(C(C)(C)C)cc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843970127	BKRYRKMPPXQBOI-MNOVXSKESA-N	308.382	1.133	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)NC[C@]1(C)C[C@@H]1Br	912827224	KKQGHPNZCBDWIS-PTRXPTGYSA-N	303.200	1.287	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNc1cnc2ccccc2n1	845946839	TZILCXGJRNTVRN-UHFFFAOYSA-N	301.350	1.235	50	20	DDGD	
O=C(NCC1=CCNCC1)NNC(=O)c1cc2c(s1)CCC2	841972012	TVWBPLHVQBBRQA-UHFFFAOYSA-N	320.418	1.101	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1cnc2cnccn12	746369105	MUBXFAJKGUOSLZ-UHFFFAOYSA-N	309.329	1.431	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)C[C@@H]1CC[C@H]2C[C@@H]12	842255790	FIBIOVPGXMHORL-GARJFASQSA-N	309.391	1.213	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=S)NC1(C)CCC1	840703393	MHTWCLUQDPNOLN-UHFFFAOYSA-N	317.418	1.694	50	20	DDGD	
COC(=O)COc1ccc(C(C)=NNC(=O)NCC2CC2)cc1	745005804	KVSSGKCUMGNVGG-UHFFFAOYSA-N	319.361	1.672	50	20	DDGD	
NC(=O)N1CCC[C@H](C(=O)NNc2cc(F)c(F)cc2F)C1	748795261	DLAVNVKUOKTYCW-ZETCQYMHSA-N	316.283	1.338	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1c(F)c(F)cc(F)c1F	843655399	VEDOPKGGHLRKCR-PHDIDXHHSA-N	320.242	1.429	50	20	DDGD	
CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)NN(C)C[C@H](C)O	910161336	XCHOFPLEEQNPBV-XHDPSFHLSA-N	317.430	1.271	50	20	DDGD	
CC[C@H]1CO[C@H](CC)CN1C(=O)/C(C#N)=C/c1cnn(C)c1	846376159	SATAQRMSYMBPNI-ZCIHOMHXSA-N	302.378	1.743	50	20	DDGD	
CCOc1ccccc1OCCCC(=O)NN(C)C[C@H](C)O	910177629	NAUPNCIVXFQDCH-ZDUSSCGKSA-N	310.394	1.588	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)c1ccccc1)C(=O)OC(C)(C)C	847426032	CEMZBLDJWLAMJG-LLVKDONJSA-N	321.377	1.608	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCC(C)(C)OCC2CC2)n1	840428179	ZKVGGVBZEUUQFZ-UHFFFAOYSA-N	307.398	1.925	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@H]1CCCNC1)c1ccccc1	841941316	LKZJMDKANWOIKL-KBPBESRZSA-N	304.394	1.263	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1ccc2c(c1)CCC(=O)N2C	842559832	CRGWMBRIFMLNCP-SMDDNHRTSA-N	315.373	1.471	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)COc2ccccc2F)o1	749330739	SZTVPSJGUWMJRV-UHFFFAOYSA-N	306.293	1.876	50	20	DDGD	
COc1cc(C=NNC(=O)c2ncccn2)c2c(c1)C[C@H](C)O2	841664154	IKCFXBKDVGXXCD-JTQLQIEISA-N	312.329	1.573	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)c1ccccn1	741659497	IOHVXFVVCNYRGJ-GHMZBOCLSA-N	317.295	1.925	50	20	DDGD	
CC(C)(C)NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	849227204	VNJLAGMPFJRIBQ-UHFFFAOYSA-N	300.403	1.058	50	20	DDGD	
C[C@H]1CCCc2ncc(C(=O)NNc3ncnc4[nH]cnc34)n21	846635429	NLXAAMFROZWSIX-QMMMGPOBSA-N	312.337	1.204	50	20	DDGD	
CCc1c(C(=O)NNC(=O)NCC2CC2)cnn1CC(C)C	755664489	LVIYZIGHZRMVGG-UHFFFAOYSA-N	307.398	1.456	50	20	DDGD	
CC(C)c1ncc(Cl)c(C(=O)NNC(=O)c2cc[nH]n2)n1	855359560	WTJGCQCGYCBFEJ-UHFFFAOYSA-N	308.729	1.051	50	20	DDGD	
C[C@@H]1CN(C2CC2)CC1=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1	755885809	HIQHTLUZOLQFIJ-SECBINFHSA-N	317.349	1.377	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)COCc1ccccc1)C1CC1	852132090	IBHMOIZGQUOBIX-CQSZACIVSA-N	305.378	1.722	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccc(C)cc1	858692238	SBTYBFCBABOICG-CHWSQXEVSA-N	318.377	1.055	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CCc1ccccc1O)c1cnn(C)c1	750236726	RHKQDYIRFFYXCY-NSHDSACASA-N	316.361	1.009	50	20	DDGD	
C[C@@]1(CNC(=O)c2cc3ncccn3n2)C[C@@H]1Br	857686977	HWWVXCXTGQVBLI-CABZTGNLSA-N	309.167	1.633	50	20	DDGD	
C[C@@H](C(=O)NNc1cnccn1)c1ccc(S(C)(=O)=O)cc1	753342027	VIRDZKGFJIYXJS-SNVBAGLBSA-N	320.374	1.127	50	20	DDGD	
COc1cccc2c1CCC2=NNC(=O)C(=O)N1CCCC1	759652029	CJUNFDJDZPDESN-UHFFFAOYSA-N	301.346	1.084	50	20	DDGD	
N#Cc1cccc(OCC(=O)NNC(=O)OCC(F)(F)F)c1	856024183	LLMDWEQROASFCR-UHFFFAOYSA-N	317.223	1.257	50	20	DDGD	
CCn1ccnc1[C@H](C)NC(=O)NNC(=O)c1cccc(F)n1	852372525	DHODSIXMZBOYDA-VIFPVBQESA-N	320.328	1.142	50	20	DDGD	
O=C(Cn1cc(C2CC2)cn1)NNc1ccc([N+](=O)[O-])cc1F	855623393	CQSITXCRVIYBRI-UHFFFAOYSA-N	319.296	1.951	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2=NO[C@H](c3ccccc3)C2)o1	752781315	UFHMPOFCAFEOQP-AWEZNQCLSA-N	313.313	1.867	50	20	DDGD	
CC(C)Cn1[nH]c(CC(=O)NNc2ccc(F)cc2)cc1=O	929772282	FYQMVUHFNZRSPT-UHFFFAOYSA-N	306.341	1.657	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCn2ccnc2)c1C	853236788	HYIJURUXCWLPTB-UHFFFAOYSA-N	317.349	1.304	50	20	DDGD	
CCOC(=O)C[C@H](O)COC(=O)/C(C#N)=C\c1ccccc1	859660337	OPPZMNLCKDMNET-MQJVFOOVSA-N	303.314	1.451	50	20	DDGD	
Cc1nnc(NNC(=O)C2(Cc3ccccc3)CCC2)nc1O	758249861	UJQWJDXHMRMYGV-UHFFFAOYSA-N	313.361	1.742	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNC(=O)c2cccc(F)n2)c1C	856426845	JMDRBRRIBYXVEA-UHFFFAOYSA-N	319.340	1.058	50	20	DDGD	
CC(Cc1cccc(F)c1)=NNC(=O)[C@@H]1CCS(=O)(=O)C1	759196081	HDCAZBWMDLVNHQ-GFCCVEGCSA-N	312.366	1.295	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)[C@@H]2CCS(=O)(=O)C2)c2ccccc21	752722793	DXRSCHCEJMXHFG-NWDGAFQWSA-N	320.414	1.839	50	20	DDGD	
CO[C@H](C)CS(=O)(=O)NC[C@]1(C)C[C@H]1Br	856754162	CPEVWRNKNWFTER-HLTSFMKQSA-N	300.218	1.114	50	20	DDGD	
O=C(NN=Cc1cn(-c2ccccc2)nn1)c1ccccc1O	755481674	NWCJFKDZEYHMFX-UHFFFAOYSA-N	307.313	1.737	50	20	DDGD	
O=C(Cn1nc(C(F)F)cc1C(F)F)NNc1cnccn1	935454341	OCKYPMAHQKYWOJ-UHFFFAOYSA-N	318.234	1.692	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cc[nH]n1)[C@@H]1OCCc2sccc21	855355924	JHCSVZAQDDGIOB-PELKAZGASA-N	320.374	1.182	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cccc(Oc2ccccn2)c1	756820019	GXVDXYBVJFZJDM-UHFFFAOYSA-N	316.317	1.673	50	20	DDGD	
COC(=O)Nc1ccc(NC(=O)NNC(=O)c2ccc[nH]2)cc1	755964621	RZQRSBMNSSIVNT-UHFFFAOYSA-N	317.305	1.660	50	20	DDGD	
CCCNC(=O)CN(CCC)CCI	759342830	VGDCGCJVASRUJG-UHFFFAOYSA-N	312.195	1.660	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1	865016046	UGKJICPYKIYCNQ-VXGBXAGGSA-N	320.393	1.264	50	20	DDGD	
CC(C)(C)c1[nH]cnc1C(=O)NNC(=S)NCC1CCC1	869216862	GUGMFIMDTJOSAZ-UHFFFAOYSA-N	309.439	1.616	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2ncc3n2CCCC3)c1	869384535	ASRYUAGKKVMZIP-UHFFFAOYSA-N	304.375	1.664	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H](C)N2CCSCC2)c1	862478560	JRPZZTOKZTUJDJ-SNVBAGLBSA-N	313.448	1.255	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=C2CCSc3c(F)cccc32)N1	863144917	HNWNEOZCVAXGKM-NSHDSACASA-N	307.350	1.420	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cccnc1OCC(F)F	761147548	SSQDQXMVUGWACK-UHFFFAOYSA-N	302.281	1.080	50	20	DDGD	
CC(=O)NC1(C(=O)NNC(=O)c2cc(C)cs2)CCCCC1	862478224	SZPPXPAVKJZUHO-UHFFFAOYSA-N	323.418	1.657	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N(C)CC2(C)COC2)cc(C#N)n1C	862761497	DJAASRJANHOPOA-RZNTYIFUSA-N	312.373	1.607	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2c(C)nc3ccccn23)c(C)nn1	767204290	KAVHRGHDRBNAJY-UHFFFAOYSA-N	324.344	1.124	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCCc1csc(C(C)(C)C)n1	765760529	KTISSFKKKAVTLR-UHFFFAOYSA-N	312.439	1.970	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NNC(=O)c1cccc(Cl)n1	862993030	KZFDIMUPHRZLKP-SNVBAGLBSA-N	310.785	1.369	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](c2nc(-c3cccc(B(O)O)c3)no2)C1(C)C	863892632	CRQLUSNGKPZDNO-QWHCGFSZSA-N	314.150	1.135	50	20	DDGD	
C[C@@]1(CNC(=O)c2csc(CO)n2)C[C@H]1Br	869356439	HVHSEYOLWGSWMV-XCBNKYQSSA-N	305.197	1.539	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C[C@H]2CCO[C@H](C(C)C)C2)n[nH]1	869015637	UTMOFZAFWAEYGI-JSGCOSHPSA-N	322.409	1.249	50	20	DDGD	
CSc1cccc(NC(=O)C(=O)NNc2cnccn2)c1C	766257096	QSGSOKXDIPPUMO-UHFFFAOYSA-N	317.374	1.589	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cccc2ccc(C)nc12	763430152	MMVXTJNIUIRHFC-UHFFFAOYSA-N	300.318	1.039	50	20	DDGD	
Cc1n[nH]cc1CCCNS(=O)(=O)CC(C)(C)CCl	867271503	ZCXABAVKIWUITR-UHFFFAOYSA-N	307.847	1.835	50	20	DDGD	
CC(C)n1cc(C(=O)NNCC(F)(F)C(F)(F)F)cn1	863100682	ZVKAEPLFDLDCDA-UHFFFAOYSA-N	300.231	1.896	50	20	DDGD	
C[C@@H](C1CC1)n1cc(NC(=O)NNC(=O)c2cn[nH]c2)cn1	860978329	JAHORMMIQGVPRS-QMMMGPOBSA-N	303.326	1.044	50	20	DDGD	
N#C/C(=C\c1cn(C[C@@H]2CCCO2)nn1)C(=O)NC1CCCC1	865216885	DXZUGVUUWCPTQO-JQVXPOPVSA-N	315.377	1.423	50	20	DDGD	
Nc1cnnc(NNC(=O)COc2ccc(F)cc2)c1Cl	1116292379	FUFWMQWYMHYNQL-UHFFFAOYSA-N	311.704	1.373	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(CC(=O)NNc2ccc(F)cn2)C1	874649966	LYGJGPBISSMFHN-UHFFFAOYSA-N	324.356	1.921	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(S)n1)c1cscn1	767900765	WSOICZMQFKTOHN-UHFFFAOYSA-N	309.376	1.010	50	20	DDGD	
C[C@H]1CN(CCNC(=O)[C@H](Br)C(C)(C)C)CCO1	767933710	ADZOFSLWYACKKA-QWRGUYRKSA-N	321.259	1.633	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)CN2CCCCS2(=O)=O)c1	879251131	FWMYJBFEQIGPOE-UHFFFAOYSA-N	311.407	1.172	50	20	DDGD	
Cc1ccc(NNC(=O)c2ncc(C(N)=O)cc2Cl)cc1	1116409712	BSGHKCJZTVBFLB-UHFFFAOYSA-N	304.737	1.899	50	20	DDGD	
CCCc1nc(C)c(NC(=O)C(=O)NNC(=O)CC2CC2)s1	777143277	JFVRGUOEFHYONK-UHFFFAOYSA-N	324.406	1.290	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc2c(c1)CCC2	771937750	FSCOBESXNCNKTN-JTQLQIEISA-N	304.346	1.278	50	20	DDGD	
Cc1cc(C(=O)NNc2cccc(S(C)(=O)=O)c2)cc(O)n1	777461766	TYMHXBZWNWGXHE-UHFFFAOYSA-N	321.358	1.256	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2CCNC(=O)C2)cc1C	873763617	FCTVUSUUHYSBIR-LLVKDONJSA-N	320.418	1.147	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@H](CC)c1ccc(F)cc1F	775449516	JKZMJCUDVIXLMB-TVQRCGJNSA-N	313.348	1.951	50	20	DDGD	
O=C(NN=C1CCCc2ccc(F)cc21)[C@H]1CCS(=O)(=O)C1	776186465	SGKIPZMPQATXDK-NSHDSACASA-N	324.377	1.417	50	20	DDGD	
COCCC1(C(=O)NNC(=S)Nc2ccccn2)CCCC1	874955725	GBWRNXKNARHPQV-UHFFFAOYSA-N	322.434	1.996	50	20	DDGD	
C[C@H]1CCCC[C@@H]1OCC(=O)NNC(=S)Nc1ccccn1	874956717	MLOBKMZBAAGQOM-RYUDHWBXSA-N	322.434	1.995	50	20	DDGD	
CCN(CC)[C@H](C(=O)NNC(=S)NC(C)C)c1ccccc1	1116016158	SIMAJJQQSPSFBT-AWEZNQCLSA-N	322.478	1.973	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@H](O)C(C)C	873853667	IVNRACGYKKMSIA-CYBMUJFWSA-N	309.435	1.892	50	20	DDGD	
CC(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C2CC2)c1	770210578	ZJDCNYLLUMKLQA-UHFFFAOYSA-N	310.375	1.040	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNc1nc(O)c2ccccc2n1	771387091	AHPWUOONQLBFRU-UHFFFAOYSA-N	312.333	1.388	50	20	DDGD	
CN(NC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1)C(N)=O	770531094	AGMUSGAMVKOUTM-UHFFFAOYSA-N	316.148	1.225	50	20	DDGD	
Cc1nc(CNS(=O)(=O)CCCCl)nc2ccccc12	881855671	UBTWZMCDHLANOJ-UHFFFAOYSA-N	313.810	1.987	50	20	DDGD	
O=C(NNc1nccc2sccc12)C(=O)Nc1cccnc1	783435307	BQVPJMIKFNZNMN-UHFFFAOYSA-N	313.342	1.773	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-]	786671764	WNHZMPBRSABVBX-YRNVUSSQSA-N	315.285	1.936	50	20	DDGD	
CC(C)[C@H](F)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	784111092	GJCGMAHCQSZJOQ-ZDUSSCGKSA-N	304.325	1.627	50	20	DDGD	
CN(C)CCN(Cc1ccccn1)S(=O)(=O)CCCCl	881867466	HHDDOBQLGIGBNZ-UHFFFAOYSA-N	319.858	1.404	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)[C@@]1(C)CCCO1	782113938	GCQOKPWYVYFVKA-GOEBONIOSA-N	304.346	1.888	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Cc1ccc(Cl)cn1	786129187	KWGFPNNCTGQUMA-UHFFFAOYSA-N	319.748	1.747	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@H]1c1cccs1)c1cccnn1	883849363	AISXFKLMZRACTN-NSHDSACASA-N	317.374	1.730	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@@H]1CC(=O)c2ccccc21	789743948	LBUDIXMXOWBZGO-CYBMUJFWSA-N	313.313	1.480	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NC[C@H]1C[C@@H](N)C1)c1ccccc1	892563070	RFDUKVSLAOATMG-BJHJDKERSA-N	304.394	1.032	50	20	DDGD	
CC(C)(C)N1C[C@@H](NC(=O)NNc2ccc(F)cn2)CC1=O	787884826	PVZMUFNBCQMSKV-JTQLQIEISA-N	309.345	1.246	50	20	DDGD	
CO[C@@H]1CCOC[C@H]1NC(=O)NNc1ccc(Cl)c(F)c1	898098323	YJNJKJYOGLOPSV-VXGBXAGGSA-N	317.748	1.909	50	20	DDGD	
C=CCCN(C)CC(=O)NNC(=O)c1cc(C)c(CC)s1	786441496	AOFRRAMAVXMLHA-UHFFFAOYSA-N	309.435	1.888	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(O)nc3c2CCCC3)nc(C)n1	895153157	AJGIVMYEGWNQMX-UHFFFAOYSA-N	313.361	1.830	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C(C)c2cc(C)n(C)n2)c1	799869572	FELNYCZHZVBSNB-UHFFFAOYSA-N	316.361	1.900	50	20	DDGD	
CN(C[C@@H](CBr)C1CC1)CC1(O)CCOCC1	701858069	FTFZREFIYGHFGD-GFCCVEGCSA-N	306.244	1.881	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCSc3ccccc32)CC1	790173390	INEBMICZLDBZPH-UHFFFAOYSA-N	304.419	1.844	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1c(C)cc(C)cc1O	799872614	UZLRVMIVFCOSMT-UHFFFAOYSA-N	303.362	1.472	50	20	DDGD	
CCC[C@@H](O)CC(=O)NNC(=O)CCc1ccc(OC)cc1	792803322	QFQZZNFWAPXVMD-CYBMUJFWSA-N	308.378	1.326	50	20	DDGD	
CCn1ncnc1CNC(=O)NNc1cccc([N+](=O)[O-])c1	793458753	SDQVEIKNDANSAS-UHFFFAOYSA-N	305.298	1.033	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2c(O)cccc2Cl)n1	794081409	GEYQGPHTBKWKNM-UHFFFAOYSA-N	305.721	1.824	50	20	DDGD	
CSc1cc(C(=O)NNc2nncc(N)c2Cl)ccn1	1319406341	TUVCUWBVUGVYSM-UHFFFAOYSA-N	310.770	1.586	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2n[nH]c3ccccc23)cc1	1318114081	TUMZHKOABJJYLW-UHFFFAOYSA-N	324.340	1.575	50	20	DDGD	
O=S(=O)(CCl)NCc1cccc(OCC(F)(F)F)n1	1325203952	NFXSDKXNHMQWCQ-UHFFFAOYSA-N	318.704	1.638	50	20	DDGD	
CC(C)N1CC(=NNC(=O)c2n[nH]c3c2CCCC3)[C@@H](C)C1	1323683423	JUGJAPRMQUKYCZ-NSHDSACASA-N	303.410	1.734	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(-n2cccn2)c(F)c1	1338605324	PPDNQQKXINNRGB-UHFFFAOYSA-N	305.313	1.365	50	20	DDGD	
CCCN(CCc1cccs1)C(=O)NNC(=O)c1cn[nH]c1	1334930615	MTYNVQKHFAQFDF-UHFFFAOYSA-N	321.406	1.780	50	20	DDGD	
CCO[C@@H](C)c1ncc(C(=O)NNc2nccn(C)c2=O)s1	1339890495	HPUFOJHXXFHNGF-QMMMGPOBSA-N	323.378	1.091	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCSC[C@H]1CO	1337159928	UAVNXFDFOYPFNN-FFXRNRBCSA-N	304.371	1.235	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC[C@@H]2C[C@H]3C=C[C@H]2C3)n1	1262379711	JNKXIFHSCURHJL-IHRRRGAJSA-N	317.393	1.043	50	20	DDGD	
CC[C@H](C)N(CC)C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1261770231	PZLFSNQZHVACQP-OUJBWJOFSA-N	319.243	1.923	50	20	DDGD	
O=C(NCC1CCNCC1)NNC(=O)c1ccccc1Cl	1261375998	FHPUBNKFTHPSEM-UHFFFAOYSA-N	310.785	1.284	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(-c2c(F)cccc2F)no1	1352303913	VJOIWXOWRRRVCZ-MRVPVSSYSA-N	311.288	1.577	50	20	DDGD	
C[C@]1(C(=O)N2CCc3ncnc(O)c3C2)C[C@@H]1Br	1350718213	WJCIVKJCWWWSNL-CABZTGNLSA-N	312.167	1.240	50	20	DDGD	
CCc1ccc(NNC(=O)[C@@H]2CO[C@@H](CCC(=O)O)C2)cc1	1603975625	YMIJYUDQJKTKGI-JSGCOSHPSA-N	306.362	1.962	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNc1cccc(-c2nn[nH]n2)c1	1603998954	HKXBRLSDKFLFQJ-CABZTGNLSA-N	304.354	1.371	50	20	DDGD	
CC(C)c1ccc(NNC(=O)Cn2cc(C(=O)O)cn2)cc1	1604002970	TWWWFFPJMWLHTD-UHFFFAOYSA-N	302.334	1.848	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCc2ccccc2C(=O)O)cn1	1605491076	LYEFZGKOAWWLCQ-AWNIVKPZSA-N	310.313	1.342	50	20	DDGD	
O=S(=O)(O)SCCCCCCSS(=O)(=O)O	5178674	YLDBBIBJAUAZLM-UHFFFAOYSA-N	310.440	1.619	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)NOC/C=C/Cl	1601560032	MBTLJFBZVDQTJZ-GORDUTHDSA-N	303.677	1.834	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)c1ccc(C(=O)O)s1	1600590209	SUXSSQDDHLFZCP-UHFFFAOYSA-N	305.315	1.225	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)c1	1601087737	KLPJICKTORNSAU-VHSXEESVSA-N	322.752	1.941	50	20	DDGD	
Cc1cc(NC(=O)NNc2ccc(-c3nn[nH]n3)cc2)nn1C	1605713123	HNEAGKXDVOGYAA-UHFFFAOYSA-N	313.325	1.057	50	20	DDGD	
COC[C@@]1(C(=O)NNc2ccc(F)c(C(=O)O)c2)CCOC1	1610247358	AHBRAGGYTZJQPK-AWEZNQCLSA-N	312.297	1.020	50	20	DDGD	
CO[C@H](C=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)C1CCCCC1	1549316203	RURUAQCMWUQXJI-ARFHVFGLSA-N	323.437	1.547	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CCSCCCN	1579642510	IWQKDXDXMNZCQM-UHFFFAOYSA-N	312.395	1.818	50	20	DDGD	
CCOc1ccc(NNC(=O)C2([C@H](C)N)CCOCC2)cc1	1578183452	SDKVZUQWZVKHCV-LBPRGKRZSA-N	307.394	1.672	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)Cn1cccn1)C2	1845164351	AWXCKQVEUKZIHZ-LBPRGKRZSA-N	324.812	1.104	50	20	DDGD	
CCCCCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1590585780	JSRDKWLUYAYSMB-UHFFFAOYSA-N	302.338	1.208	50	20	DDGD	
COCCCC(=O)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846386767	VQUCHFOAAOWECQ-UHFFFAOYSA-N	323.220	1.420	50	20	DDGD	
CN1CCC[C@@H]1CNC(=O)NNc1ccc(CC(=O)O)cc1	1598602760	OJFLOPORYHXURG-CYBMUJFWSA-N	306.366	1.034	50	20	DDGD	
COCc1ncc(C(=O)NNc2cccc(C(=O)O)c2)s1	1599304657	WBRRTAWEVLYLNB-UHFFFAOYSA-N	307.331	1.745	50	20	DDGD	
CC[C@@H](C(=O)O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	1594755094	ATVWGAKXYLXOGA-IETLTJBPSA-N	308.378	1.461	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@H]1C(=O)O)c1nc2ccccc2s1	1594782521	BIPLFINIPLUHEE-HTQZYQBOSA-N	319.342	1.168	50	20	DDGD	
Cc1nc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)ccc1C#N	1592349456	RDRRTSFBTGCLAI-UHFFFAOYSA-N	320.316	1.199	50	20	DDGD	
Cc1ccc(NNC(=O)NC2CCN(CC(=O)O)CC2)cc1F	1594373418	ZGEKSUJLVJNSPC-UHFFFAOYSA-N	324.356	1.309	50	20	DDGD	
CCn1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1C	1590955914	FSYRYYFQNYKYKR-UHFFFAOYSA-N	311.349	1.753	50	20	DDGD	
O=C(O)c1cnc2c(c1)C(=NNC(=O)c1cnsn1)CCC2	1776105213	SVXKROMULKRZBT-UHFFFAOYSA-N	317.330	1.102	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNc1ccccc1[N+](=O)[O-]	15503333	BPMFIOCCWFGTKN-UHFFFAOYSA-N	320.330	1.529	50	20	DDGD	
CCCNC(=S)NNC(=O)Cc1nc2ccccc2n1C	16276054	OTBJGSLGYFBCMN-UHFFFAOYSA-N	305.407	1.021	50	20	DDGD	
CCOCCC(=O)NNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1	151247390	WMHCGUCYHQMFNP-UHFFFAOYSA-N	320.324	1.403	50	20	DDGD	
N#Cc1cccc(NNC(=O)CNC(=O)Cc2ccccc2)c1	152442416	DDIXQQCGIMBRDG-UHFFFAOYSA-N	308.341	1.360	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]	153590396	SFVXRDRQOIIARR-UHFFFAOYSA-N	303.234	1.655	50	20	DDGD	
CCc1ccc([C@@H](C)CC(=O)NNC(=O)C(=O)NC(C)C)cc1	155089246	GDQLVVKVULWDTM-LBPRGKRZSA-N	319.405	1.415	50	20	DDGD	
Cn1cc(CC(=O)NNc2ncnc3nc[nH]c23)c2ccccc21	156220504	HBIVEZHWNQFKEW-UHFFFAOYSA-N	321.344	1.530	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C(C2CC2)C2CC2)c1O	156340880	SORSNJDEAGULDA-UHFFFAOYSA-N	304.346	1.598	50	20	DDGD	
C[C@@H](Cc1ccccc1F)C(=O)NNC(=O)c1ccncc1	154590294	RBFVCYSMIYYXDP-NSHDSACASA-N	301.321	1.861	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc(Br)s1	49468792	AWWUMAUEJFFMJL-UHFFFAOYSA-N	306.185	1.863	50	20	DDGD	
COc1ccc(NNC(=O)c2cn(-c3ccc(C)cc3)nn2)nc1	159304287	AMRZROPRPMIYDJ-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
CCNC(=O)NNC(=O)CCc1nc(C)c(-c2ccccc2)o1	106752965	XXGJBOXDQLLESM-UHFFFAOYSA-N	316.361	1.933	50	20	DDGD	
Cn1cc(CNC(=O)NNc2ccc(C(C)(C)C)nn2)cn1	118474870	ZYOXTAIIWBHQDV-UHFFFAOYSA-N	303.370	1.334	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)c1nn(CC)c(=O)c2ccccc12	23389708	VGAUNJAHEIBONY-JTQLQIEISA-N	316.361	1.224	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCc1ccccc1)N1CCCC1=O	175847380	VMHYLULRCMENBU-AWEZNQCLSA-N	317.389	1.168	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)Cc1ccc(F)cc1	24063007	WPNTVLYNROIXGV-UHFFFAOYSA-N	304.296	1.897	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc2c(c1)NC(=O)CO2	60781195	BEVBTWALLVBIIL-UHFFFAOYSA-N	307.306	1.187	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccon2)c1C	67285716	FMNAQNWMAGEBAC-LLVKDONJSA-N	303.318	1.520	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)n1C	21784617	ICAOAYBATTYZJP-UHFFFAOYSA-N	323.356	1.798	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)Nc2ccc(OC)cc2)cn1	28580147	MWDSJCMLNPXEHF-UHFFFAOYSA-N	303.322	1.378	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)NNc1ccc(Cl)c(F)c1	175416059	CXUXCBBZQIJZJG-UHFFFAOYSA-N	322.789	1.993	50	20	DDGD	
C/C(=C\c1ccccc1Cl)C(=O)NNC(=O)C(=O)NC1CC1	179215423	HKMGIRQNIBVRRG-CMDGGOBGSA-N	321.764	1.169	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NC[C@@H]1CCCCN1C	1342869133	LJRDUIQUDIGTCT-HNNXBMFYSA-N	318.421	1.352	50	20	DDGD	
O=C(NCCn1cccn1)NNC(=O)c1cccc2ccccc12	174947908	NBOBTOLPAKAANL-UHFFFAOYSA-N	323.356	1.681	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(C(C)C)nn2C)nc1	179785754	OVJDEJQWAGPCON-UHFFFAOYSA-N	317.349	1.482	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=S)N[C@@H](C)C1CC1	171168342	HRTXJNKZSGJGIC-NSHDSACASA-N	321.446	1.922	50	20	DDGD	
COCCOCCC(=O)NNc1ccc(Br)cc1	63284348	SURIJUZNOCJWEC-UHFFFAOYSA-N	317.183	1.945	50	20	DDGD	
O=C(COCCOc1ccccc1)NNc1ncc(F)cn1	122692710	SUISMMUNWBGMQO-UHFFFAOYSA-N	306.297	1.154	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)C(=O)c1ccc(Cl)cc1	171348675	SBRPCLYCXXXPEG-UHFFFAOYSA-N	303.705	1.379	50	20	DDGD	
CC[C@H](CCO)NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	305360521	MKXGXTVPVJDHDN-WTWVRAIASA-N	300.362	1.389	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)CCOc1ccccc1	129179971	XJCOLCJVZSOEAA-CYBMUJFWSA-N	306.362	1.584	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)CC[C@@H]1CCCO1	61476445	PLRSRMFUBLPOQS-AWEZNQCLSA-N	306.362	1.562	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2[C@H](C)CC[C@H]2C)n1	122939799	SLNRSUNTNZTPDN-GHMZBOCLSA-N	310.423	1.014	50	20	DDGD	
CCCN(CCC)C(=O)CCC(=O)NNc1ncc(F)cn1	123384369	FWONKAQDNSTPOS-UHFFFAOYSA-N	311.361	1.488	50	20	DDGD	
CCCC(=O)N1CCC[C@H](C(=O)NNc2ncc(F)cn2)C1	123244142	UARLGBZXPDNDSO-JTQLQIEISA-N	309.345	1.098	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(C(F)(F)F)nc1	183417257	TZJACXWTNLNSIX-UHFFFAOYSA-N	306.244	1.290	50	20	DDGD	
CN(NC(=O)c1ccc(Br)cc1Cl)C(N)=O	181061162	RHWGUPRJDLKGPX-UHFFFAOYSA-N	306.547	1.758	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COCc2ccccc2)c1O	124415073	WMGJPODNKVDCPC-UHFFFAOYSA-N	314.341	1.678	50	20	DDGD	
CN(C)c1ncccc1C(=O)NNc1ccccc1[N+](=O)[O-]	79882094	QEFQCTQMNVZTOK-UHFFFAOYSA-N	301.306	1.813	50	20	DDGD	
Cc1nn(-c2ccccc2)cc1C(=O)NNc1ncc(F)cn1	122915318	XXXJXLMUTIGEJW-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
O=C(NC[C@@H]1CCN(c2ccccc2)C1)NNc1cccnn1	77348257	IVLXUPYRJKETOY-ZDUSSCGKSA-N	312.377	1.629	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NNC(=O)Cc1cc[nH]n1	186290791	ILMLPEUGRZNDMF-AAEUAGOBSA-N	308.382	1.085	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)COCc2ccccc2)cn1	181153796	JGFOONYFXFIBRS-UHFFFAOYSA-N	316.361	1.271	50	20	DDGD	
CN(C)N(C(=O)/C=C/c1cccs1)[C@@H]1CCS(=O)(=O)C1	73024658	CHHARXWNSCDEDS-MVIFTORASA-N	314.432	1.254	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H]1COc2ccccc2O1	133781055	XIJNMESSGNMACZ-AWEZNQCLSA-N	315.285	1.878	50	20	DDGD	
O=C(CC[C@H]1CCCCO1)NNc1nc2ccccc2c(=O)[nH]1	137205031	ZUYCXOPEOLGVJJ-LLVKDONJSA-N	316.361	1.716	50	20	DDGD	
CN(C)C(=O)NNS(=O)(=O)c1cccc(C(F)(F)F)c1	194856958	DUHJYZMPEQRYLE-UHFFFAOYSA-N	311.285	1.170	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1c[nH]nc1-c1ccccc1F	195320484	PCNUKBUSZGTNAH-YRNVUSSQSA-N	320.349	1.972	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)NCC1CCC1	47053517	GIFFSMKTEOWUGB-UHFFFAOYSA-N	307.350	1.205	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCc2ccco2)c(OC)c1	194821835	UGDKXMGFCMDDLJ-UHFFFAOYSA-N	318.329	1.691	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1ccccc1O	43309952	PVPYODCSHZPRQR-UHFFFAOYSA-N	305.359	1.640	50	20	DDGD	
C[C@H]1C[C@@H]1CNC(=O)NNC(=O)Cc1nc2ccccc2n1C	47099258	UBAMMYFZVUYIBT-WDEREUQCSA-N	315.377	1.102	50	20	DDGD	
O=C(CCCOc1cccc(F)c1)NNC(=O)c1ccncc1	193703902	BBZKHAXXWRHLSP-UHFFFAOYSA-N	317.320	1.841	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1	247349393	OVTVFNIFMSBWJO-MELADBBJSA-N	322.453	1.580	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2	245410144	POYFRPAVFIQUIN-OBJOEFQTSA-N	312.373	1.460	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)/C=C\c2cccnc2)cc1	255077421	XLTDFMBFLIFHPF-TWGQIWQCSA-N	311.341	1.630	50	20	DDGD	
CCC1(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1	267218509	VKWIGCHAHDUFCE-UHFFFAOYSA-N	322.361	1.664	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)[C@H]1CCCN1C1CCCC1	269666084	KRBFLVMMYCLCBZ-LLVKDONJSA-N	309.801	1.980	50	20	DDGD	
Cc1cccnc1NNC(=O)CCn1c(C)cc(O)cc1=O	276712597	KJYGINYHPXIICN-UHFFFAOYSA-N	302.334	1.099	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CC=C(C#N)CC1	272592148	GBISRJBSNDQRBC-OCCSQVGLSA-N	304.394	1.547	50	20	DDGD	
CC(=O)[C@@H]1CC(C(=O)N2CC=C(C#N)CC2)=NN1c1ccccc1	271078729	FRKSVXWPZYSIOU-KRWDZBQOSA-N	322.368	1.893	50	20	DDGD	
CCN1CCOC[C@@H]1C(=O)NNc1ccc(C(F)(F)F)cn1	364326073	OFJWXGDXMZMEHL-SNVBAGLBSA-N	318.299	1.264	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@H]1CCCN1c1ccccc1	366777279	KHKHXXZTBPUOBM-MRXNPFEDSA-N	324.384	1.441	50	20	DDGD	
O=C1CCC[C@H](C(=O)NNc2cccc(C(F)(F)F)c2)N1	270568038	UYBYIUDJJHNJTB-SNVBAGLBSA-N	301.268	1.817	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccnc(O[C@@H]2CCOC2)c1	273510547	QTTMQVNEJTWEDB-GFCCVEGCSA-N	321.377	1.447	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2[nH]ncc2C1)NC1CCCCC1	270099845	BSGBFRKSFZFMQP-JTQLQIEISA-N	305.382	1.178	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H]1C[C@@]12CCOC2	373400058	VCVRRBGPWIDXFF-CXAGYDPISA-N	318.373	1.202	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C2Cc3ccccc3C2)c1	277167951	BRMCCQXOMRAIAZ-UHFFFAOYSA-N	324.380	1.936	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@]12CCOC2)c1cc(Cl)ccc1O	373409302	SMYVXQOWWNOIPY-IINYFYTJSA-N	310.737	1.233	50	20	DDGD	
COC(=O)NNC(=O)[C@H]1C[C@@]12CCN(C(=O)OC(C)(C)C)C2	372899952	BKKSZIUIEXRECA-YMTOWFKASA-N	313.354	1.021	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ocnc1C1CC1	289649742	HMVKIIXPOGKYAD-UHFFFAOYSA-N	301.302	1.635	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)Nc1ccccc1C	285995653	PZLFCDKOVXBDPV-AWEZNQCLSA-N	318.377	1.549	50	20	DDGD	
Cn1cncc1CCC(=O)NNc1nccnc1C1CCC1	286604481	ACTMLARODPHDRM-UHFFFAOYSA-N	300.366	1.554	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1F)C1CC1	280390656	KHYMFAAUMXZMDO-LLVKDONJSA-N	300.717	1.665	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)CN1CCCS1(=O)=O	281817043	QSEFBTJIVQCQHY-UHFFFAOYSA-N	311.407	1.036	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNC(=O)Nc1ccccc1C	281420031	ZZGVHGXRHDMAQF-UHFFFAOYSA-N	307.350	1.737	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNC(=O)COc1ccc(C)cc1	288997593	DSZBFQCQFLBVQR-GFCCVEGCSA-N	322.361	1.111	50	20	DDGD	
Cn1cc(Oc2ccccc2C(=O)NNC(=O)C2CC2)cn1	282811325	NKTCDHQGAJSJIH-UHFFFAOYSA-N	300.318	1.383	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1	294679985	JSDKMEBIBIIKLM-VIFPVBQESA-N	306.149	1.329	50	20	DDGD	
Cc1nn(C(C)C)c(C)c1CC(=O)NNC(=O)c1ccc[nH]1	291944617	DMWNJPVKENUYQX-UHFFFAOYSA-N	303.366	1.413	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cccc(C#N)c1)C(F)(F)F	808264522	FYAZGVCTVOVQBR-SSDOTTSWSA-N	300.240	1.453	50	20	DDGD	
Cc1cccc(-n2cc(C(=O)NNc3ncccc3F)nn2)c1	804214843	SKDIJEUSIWDLKI-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1c(C)cc(OC)c(C)c1C	806970981	RFYVWVPFRFTJCZ-UHFFFAOYSA-N	307.350	1.116	50	20	DDGD	
CN(CC(=O)NNC(=O)Nc1ccccc1)[C@@H]1CCSC1	801984941	PQRDNDBGGJHCGT-GFCCVEGCSA-N	308.407	1.277	50	20	DDGD	
O=C(CCCn1cncn1)NNc1nccnc1C1CCC1	805463402	BZYHZHJHINCKHE-UHFFFAOYSA-N	301.354	1.259	50	20	DDGD	
Nc1c(F)cc(Cl)cc1C(=O)NNC(=O)[C@H]1CCCCO1	295771259	RHFPHVNAKIKOSB-SNVBAGLBSA-N	315.732	1.391	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(CCCCNC(=O)NNc2ccncn2)C1	296307087	KQSMSSSPFCLPOW-OKILXGFUSA-N	320.441	1.861	50	20	DDGD	
CSSCCNC(=O)NCCCN1CCCO[C@@H](C)C1	807180701	LGYDAOHATSLKGR-LBPRGKRZSA-N	321.512	1.798	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2c(F)ccc(O)c2F)c1	809666385	XPRGMNOIFXYRQM-UHFFFAOYSA-N	317.251	1.617	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(NCC2CC2)nc1	801140390	LIWMUESPVMLQHR-UHFFFAOYSA-N	305.382	1.648	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)[C@@H]1CCCCO1)c1ccncc1	297180117	JPWIFIRPFUQUPB-STQMWFEESA-N	306.366	1.432	50	20	DDGD	
Cc1nc2cc(NC(=O)NNC(=O)[C@@H]3CCCO3)ccc2o1	292739614	QODRZNHROPBCGW-LBPRGKRZSA-N	304.306	1.468	50	20	DDGD	
Cn1cncc1CCC(=O)NNc1ccc(Br)nc1	802750501	BJAJNYZXCLAFNU-UHFFFAOYSA-N	324.182	1.654	50	20	DDGD	
CN(C)c1ccc(CNC(=O)NNc2ncccc2F)cn1	804907875	GGPWVFKZPJCCHI-UHFFFAOYSA-N	304.329	1.508	50	20	DDGD	
CC(=O)NNC(=O)C1CCN(c2nc3ccccc3o2)CC1	294152935	AAUZWRLVZYYSLF-UHFFFAOYSA-N	302.334	1.212	50	20	DDGD	
O=C(CCc1c[nH]c2ccccc12)NNC(=O)N=c1cc[nH]cc1	802025059	QIUARXMTSVYIRA-UHFFFAOYSA-N	323.356	1.770	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2C[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2)n1	296856860	LFWOHVSINSGKAR-XUXIUFHCSA-N	314.389	1.722	50	20	DDGD	
O=C(COc1cccc(Cl)c1)NNC(=O)[C@@H]1CCCCO1	295597506	PQFKWYBNQHMYGY-LBPRGKRZSA-N	312.753	1.435	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1C[C@@]1(C)C(C)C	807372138	ZHSLXNNXGHRHEQ-FZMZJTMJSA-N	300.399	1.605	50	20	DDGD	
Cc1ccc(C=NNC(=O)c2cnccn2)c(-c2ccnn2C)c1	802708188	GVVLEZJZXOHQLY-UHFFFAOYSA-N	320.356	1.949	50	20	DDGD	
COCC1(C(=O)NNC(=O)Nc2ccc(OC)cc2)CCC1	803396912	NNVKAHQBZNCAOY-UHFFFAOYSA-N	307.350	1.665	50	20	DDGD	
O=C(NNC(=O)c1ccc([N+](=O)[O-])c(O)c1)Nc1ccccc1	801990561	PCGSBLKMXRRKBW-UHFFFAOYSA-N	316.273	1.767	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNc1cc(C(F)(F)F)ccn1	295286757	IEDJSCTVZAXRTP-SSDOTTSWSA-N	305.256	1.743	50	20	DDGD	
CN1CCC(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)CC1	803430302	YYTBDNPPHKKLAC-UHFFFAOYSA-N	300.362	1.313	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)c2cn[nH]c2)c1	802107549	CKWFOVLEGHYOBE-UHFFFAOYSA-N	309.713	1.538	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCCOC(C)(C)C)nc1	802894411	USFSDWDEKRRPPN-UHFFFAOYSA-N	309.366	1.907	50	20	DDGD	
O=C(NN=Cc1cccc2cccnc12)[C@@H]1CCS(=O)(=O)C1	818269949	RHHQBECILNWSPZ-CYBMUJFWSA-N	317.370	1.120	50	20	DDGD	
CN(NC(=O)CNC(=O)Cc1cccc2ccccc12)C1CC1	819641022	LMYTUTYPWOZEKN-UHFFFAOYSA-N	311.385	1.624	50	20	DDGD	
C[C@](C#N)(CC(=O)O)C(=O)NNC(=O)CCCc1cccs1	819848404	SJHCHOCRAKLRBI-CQSZACIVSA-N	323.374	1.223	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCCCN2)c1C	819760586	GCPLGPDRYFTOCV-WJDWOHSUSA-N	316.405	1.785	50	20	DDGD	
Cn1cncc1C(=O)NNC(=O)c1cc(-c2ccccc2)on1	813388738	IMRZBWNPZVTDOM-UHFFFAOYSA-N	311.301	1.150	50	20	DDGD	
COCCN(C)NC(=O)C[C@H]1c2ccccc2CCN1C(C)=O	816561879	PDIFQXWIWLATQO-INIZCTEOSA-N	319.405	1.132	50	20	DDGD	
CC(C)[C@@H]1CC(=NNC(=O)[C@H](C)CN2CCOCC2)CS1	814762602	DYCHPZQFUUPALW-OCCSQVGLSA-N	313.467	1.588	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cc(F)c(F)cc2F)[nH]1	815856561	RFSSUZNLNUKJCU-UHFFFAOYSA-N	313.235	1.976	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H]2CCn3ccnc3C2)cc1	817879046	ADHKCLPCWIWEDS-GFCCVEGCSA-N	300.362	1.988	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)C(=O)NC2CC2)c(Cl)c1	819803747	VMXGZHRVAKQFGC-UHFFFAOYSA-N	309.753	1.467	50	20	DDGD	
Cn1nc(C(=O)NN=Cc2nccs2)c2ccccc2c1=O	814740011	FVAXRJWOXHSUOD-UHFFFAOYSA-N	313.342	1.154	50	20	DDGD	
C=C1c2ccccc2C(=O)N1CC(=O)NNc1ncncc1F	817081691	ATGXOAJPWMLLOF-UHFFFAOYSA-N	313.292	1.186	50	20	DDGD	
COc1cc(C(C)=NN(C)C(N)=O)ccc1OCCCC(=O)O	814890802	AHPCRLLLUFKUOK-UHFFFAOYSA-N	323.349	1.673	50	20	DDGD	
CC(=O)Nc1cccc(CC(=O)NNC(=O)C2CCCC2)c1	819097246	ZHZRDEYJOVVKNY-UHFFFAOYSA-N	303.362	1.525	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](O)c2ccc(Cl)cc2)n1	813469887	ONYKEDNYTQEFCM-GFCCVEGCSA-N	322.752	1.624	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1	823983201	MZXXTAORHFBNHF-NSHDSACASA-N	322.365	1.152	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cc(-c2ccccc2)nn1C	825481541	LXSBKZGPXVKNFK-UHFFFAOYSA-N	301.350	1.440	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@H]1C)[C@H]1CCC[C@@H](C)C1	826939995	DHVFBUCQFQGWEW-QMVSFRDZSA-N	311.426	1.957	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCOC[C@H]2c2ccccc2)cn1	491048957	MCUXZXICMWWUMR-STKCSNAVSA-N	322.368	1.927	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cccnc1SC(F)(F)F	823966165	ZTXBGPKKMZCSOO-SSDOTTSWSA-N	309.313	1.651	50	20	DDGD	
Cc1ccc(/C=C(\C#N)C(=O)OCCCS(C)(=O)=O)cc1	728614388	AUUUOBHMBHOWBI-GXDHUFHOSA-N	307.371	1.880	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC2(CCC2)c2ccccc21	829165757	CIVXXNVFFMHXHJ-UHFFFAOYSA-N	301.390	1.732	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)CCCn1cccn1	822727670	GRYDCDYTYHHIBU-UHFFFAOYSA-N	320.324	1.732	50	20	DDGD	
Cn1c(CNC(=O)[C@@]2(C)C[C@H]2Br)nnc1C1CC1	820102856	GANQNDLAZZYIFO-PELKAZGASA-N	313.199	1.482	50	20	DDGD	
CN(CC(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)C(=O)O	828114389	GVAUNZMTHLYMNL-UHFFFAOYSA-N	316.239	1.630	50	20	DDGD	
Cc1nn(C)cc1CC(=O)NNC(=O)C(C)(C)c1ccccc1	823208720	LIWIQVXBHYOBNG-UHFFFAOYSA-N	314.389	1.396	50	20	DDGD	
O=C(CC[C@H]1CCOC1)NNc1cccc(-c2nn[nH]n2)c1	826405286	ANRFCVROODUFLF-JTQLQIEISA-N	302.338	1.127	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F	823959817	QAJHKQMJGVOBSN-VHSXEESVSA-N	320.311	1.817	50	20	DDGD	
C[C@H](C[C@@H](O)c1ccccc1)NC(=O)/C(C#N)=C/c1cnn(C)c1	491176560	QGFKKSKRWVCCFV-QEIBDNMCSA-N	324.384	1.955	50	20	DDGD	
OB(O)c1ccc(CNCC2CC(OCc3ccccc3)C2)o1	585034029	MJHIZIAKSUSZNZ-UHFFFAOYSA-N	315.178	1.044	50	20	DDGD	
Cc1cc(OCC(=O)N2CC[C@H](B(O)O)C2)cc(C)c1Cl	585064507	GYPXZXZENHUXEM-NSHDSACASA-N	311.574	1.411	50	20	DDGD	
Cc1cn(-c2ccc(F)cc2)nc1C(=O)NN(C)C[C@H](C)O	821217572	LGIKWOQLXVWWFZ-NSHDSACASA-N	306.341	1.277	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)C1(C)CCOCC1	822727862	JMVZZNOLNBTLGJ-UHFFFAOYSA-N	310.325	1.872	50	20	DDGD	
Cc1cnc([C@@H](NC(=O)c2ccc(B(O)O)cc2)C2CC2)s1	584951017	GWUQINWPEXUSFH-ZDUSSCGKSA-N	316.191	1.012	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccoc1	826445968	SRHLOCNOLHLSFE-UHFFFAOYSA-N	305.685	1.265	50	20	DDGD	
Cc1ccc2c(c1)CCN(C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)C2	827258798	DYSWWJICXLPYLY-DOMZBBRYSA-N	317.389	1.519	50	20	DDGD	
C[C@]1(C(=O)NCc2nc3cccnc3[nH]2)C[C@H]1Br	907649003	VJOBRNCSHOUDSJ-PELKAZGASA-N	309.167	1.748	50	20	DDGD	
N#Cc1cccc(NNC(=O)CN2CSCCSC2)c1	901163430	SQADYCGLXXRVAJ-UHFFFAOYSA-N	308.432	1.698	50	20	DDGD	
Cc1c(C(=O)N2CC[C@H](B(O)O)C2)cccc1-c1ccccn1	585063637	DPXZSUPMYPFHGM-ZDUSSCGKSA-N	310.162	1.746	50	20	DDGD	
O=C(NNc1cccc(F)c1F)c1ccc(-c2nn[nH]n2)cc1	823280949	JPEVIUYNXSYNRG-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
C[C@@]1(C(=O)N2CCC(O)(C(F)F)CC2)C[C@H]1Br	907543327	DFZTVYGGXLBOQK-GMSGAONNSA-N	312.154	1.779	50	20	DDGD	
C#CCCCC(=O)NN=Cc1ccc(O[C@@H](C)C(=O)O)cc1	901325522	MYVYGJJJZMDGJU-LBPRGKRZSA-N	302.330	1.792	50	20	DDGD	
COC(=O)C1(NC(=O)/C(C#N)=C/c2cnn(C)c2)CCCCC1	490977163	SKDGTLWOJJAUJY-MDWZMJQESA-N	316.361	1.319	50	20	DDGD	
C[C@]1(C(=O)NCc2ncc3c(n2)CCC3)C[C@H]1Br	909682731	XWYGQCOVQULSAX-MFKMUULPSA-N	310.195	1.755	50	20	DDGD	
CCCN(NC(=O)c1ncc(OC)cn1)C(=O)OC(C)(C)C	495818719	LPSDMCKKLDGCLV-UHFFFAOYSA-N	310.354	1.777	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(COc2ccccc2F)on1	495823243	BMWHGWIOPOJZOB-UHFFFAOYSA-N	323.280	1.736	50	20	DDGD	
CCC/C=C\C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1	730077175	MTXBIHAILYVHIY-PLNGDYQASA-N	323.418	1.927	50	20	DDGD	
CC(C)c1ccc(NNC(=O)CN2CCCS2(=O)=O)cc1	837055301	DAYCPZOHNNVGJL-UHFFFAOYSA-N	311.407	1.289	50	20	DDGD	
O=CN1CCC[C@@H]1C(=O)NNc1ccc(C(F)(F)F)cn1	832395439	KCNQTSFWEIFORV-SECBINFHSA-N	302.256	1.164	50	20	DDGD	
CS[C@@H]1CCN(CC(=O)NNC(=O)c2ccc(C)cc2)C1	830878236	OCBRMMGMZGEZLR-CYBMUJFWSA-N	307.419	1.193	50	20	DDGD	
CCC(CC)NC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836197118	QMSLHDKSWBSKGF-UHFFFAOYSA-N	308.338	1.940	50	20	DDGD	
COc1cc(F)c(S(=O)(=O)NNC(=O)C2CCC2)cc1F	901894039	MEMFYYLMFXIFOM-UHFFFAOYSA-N	320.317	1.083	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)OCCCCC(=O)O)cc(C#N)n1C	738190571	HQHTVZUOCYVQMR-QPEQYQDCSA-N	315.329	1.910	50	20	DDGD	
C[C@H](C[C@H](O)c1cccs1)NCc1ccc(B(O)O)cc1F	585034759	NOXSLQSQSFLDEO-YGRLFVJLSA-N	323.198	1.169	50	20	DDGD	
CCO[C@H](CC)C(=O)NNC(=O)c1cc(Cl)ccc1O	839478779	PGEFRVQCICDAON-LLVKDONJSA-N	300.742	1.622	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(C[C@H](C)NC(=O)NNc2ccncn2)C1	836349576	TYKQBLHANDNDJQ-XQQFMLRXSA-N	306.414	1.469	50	20	DDGD	
COCCN(C)NC(=O)C(F)(F)Oc1ccc(C=O)cc1	837624442	XJBUVEPGUCULEX-UHFFFAOYSA-N	302.277	1.080	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H](C)NS(C)(=O)=O)c(Cl)c1	836936443	KUHVRGITUBEEFU-MRVPVSSYSA-N	305.787	1.029	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccnn1CC1CCC1	900001763	VKOUAOURJUJXKB-UHFFFAOYSA-N	309.439	1.591	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC[C@@H]2CC2(Cl)Cl)n[nH]1	831424495	NDIYXJGWLZFWAG-SSDOTTSWSA-N	305.165	1.453	50	20	DDGD	
C#CCOc1ccc(C=NNC(=O)c2ccnc(N(C)C)c2)cc1	731561271	XAASEQUMZMRSOM-UHFFFAOYSA-N	322.368	1.924	50	20	DDGD	
Cc1ccccc1[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1	584938116	IPTNZRXCBWBKQZ-HNNXBMFYSA-N	309.174	1.305	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC[C@H](C)SC)cc1F	838524801	ABTVCXAIBBNEMR-QMMMGPOBSA-N	315.370	1.990	50	20	DDGD	
COC(=O)[C@H](C)N(C)S(=O)(=O)c1ccc(CCl)cc1	915178170	ZMSHXWPMEYILGW-VIFPVBQESA-N	305.783	1.607	50	20	DDGD	
CC1CCC(N2C[C@H](C(=O)NNC(=O)C(C)C)CC2=O)CC1	731343920	XBRNOQVMRIURLD-OTTFEQOBSA-N	309.410	1.217	50	20	DDGD	
COCCN1CC[C@@H](NC(=O)NNc2cc(F)ccc2F)C1	919636245	VMSLTYOJXSRSFX-LLVKDONJSA-N	314.336	1.312	50	20	DDGD	
CSSCCNC(=O)NC[C@H]1CCCN1CCCO	838588825	VFPFDNMIMIWFBE-LLVKDONJSA-N	307.485	1.144	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C	910164397	YHXWHVRFYWFQIV-NSHDSACASA-N	317.430	1.414	50	20	DDGD	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=NNC(=O)C(N)=O	917531872	HAGMRLLPFKQJNA-UHFFFAOYSA-N	319.752	1.078	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2cccc(Cl)c2Cl)CN1	838342848	BMPMMDLCASJHFL-ZETCQYMHSA-N	302.161	1.963	50	20	DDGD	
O=C(CN1CCCC1=O)NNC(=O)/C(F)=C\C1CCCCC1	913732676	FOWLXJWRYVFEIT-FMIVXFBMSA-N	311.357	1.190	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)nc1	836692423	WGNJUBYWBACPKI-VXGBXAGGSA-N	303.366	1.170	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H]1CCc2ccccc2O1	839725112	LMSILUORHKKFSU-GFCCVEGCSA-N	300.318	1.322	50	20	DDGD	
O=C(CN1CCC[C@@H]1C1CC1)NNC(=O)c1ccc(F)cc1	839481071	NIUSRCMTPVUKGY-CQSZACIVSA-N	305.353	1.461	50	20	DDGD	
Cc1nn(C)c2ncc(C=NNC(=O)NC3CCCC3)cc12	747611096	OPPAVVBVSUELMZ-UHFFFAOYSA-N	300.366	1.852	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)Cc1nc(-c2ccc(F)cc2)cs1	910153250	YNINSXOCNDHHCV-JTQLQIEISA-N	323.393	1.836	50	20	DDGD	
Cn1ncc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)n1	840733986	ZUWIVFXOPQRIQM-SDNWHVSQSA-N	322.372	1.071	50	20	DDGD	
COCC[C@@H](C)CNC(=O)NNC(=O)COc1ccc(C)cc1	840398156	CRIVRKFBXQFSNN-CYBMUJFWSA-N	323.393	1.377	50	20	DDGD	
CSc1cccc(F)c1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843658859	WIROOQUFIHMCNX-IUCAKERBSA-N	312.366	1.734	50	20	DDGD	
CN(CCO[Si](C)(C)C(C)(C)C)CCC(=O)NC(N)=O	844347694	VEUSCNKUBMBJAV-UHFFFAOYSA-N	303.479	1.525	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2ccc(O)c(O)c2O)cc1	915922010	UYUSZFBOHPIGER-UHFFFAOYSA-N	315.329	1.674	50	20	DDGD	
NS(=O)(=O)c1cc(C(=O)NNc2ccccc2)ccc1F	747987190	CLHMPIWJLHKURT-UHFFFAOYSA-N	309.322	1.230	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCc2cccs2)nc1C	840289930	YJBPMFGMHOKNDD-UHFFFAOYSA-N	318.402	1.947	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NNC(=O)COc1ccc(C)c(C)c1	916107674	HPYURUXKGXHYKL-ZIAGYGMSSA-N	306.362	1.255	50	20	DDGD	
N#Cc1cccc(COc2cccc(C=NNC(=O)C(N)=O)c2)c1	915935663	SXCSVHNJHIQYIX-UHFFFAOYSA-N	322.324	1.073	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCN(Cc2ccccc2)C1	748256837	DNXWULJSMMBBAT-AWEZNQCLSA-N	319.405	1.416	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1coc(-c2ccccc2Cl)n1	910151651	HQZWFVJRHDHGQC-SECBINFHSA-N	309.753	1.952	50	20	DDGD	
CC[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843653453	NJFOFVGORDWJKV-LOWVWBTDSA-N	324.352	1.556	50	20	DDGD	
O=C(C[C@@H]1CCCCO1)NNc1ncc(Br)cn1	848321543	WMEYGKVJKPPPDH-VIFPVBQESA-N	315.171	1.641	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)NCC1CCC(C)CC1	748626299	QRLZXGDMBIUTPP-CPCZMJQVSA-N	315.414	1.195	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C(C)c2cn(C)nc2C)c1	917536080	HUKVQJHTVCYRPJ-UHFFFAOYSA-N	316.361	1.900	50	20	DDGD	
Cc1cc(C=NNC(=O)C(N)=O)c(C)n1-c1ccc(F)cc1F	915270155	PZSCAHCCNPKHGL-UHFFFAOYSA-N	320.299	1.308	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNC(=O)c1ccc(Cl)cc1O	918358096	KBHQDBPXBBEHQL-UHFFFAOYSA-N	323.736	1.654	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)N1C[C@H]2[C@H](C1)C2(F)F	846709828	UJYDXJGQMXIASA-STQMWFEESA-N	323.343	1.947	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H]2CC[C@H](SC)C2)n1	746773518	XBCUPQVEXJJKBF-UWVGGRQHSA-N	311.411	1.704	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccc(C(N)=O)o1)c1ccccc1	747415831	KXEBCYYOCICFCF-LLVKDONJSA-N	315.329	1.333	50	20	DDGD	
Cc1n[nH]c(C)c1C=NNC(=O)c1cc([N+](=O)[O-])ccc1O	741772101	UBTGVQANDCCWIF-UHFFFAOYSA-N	303.278	1.404	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Cn1ccc2ccccc21)[C@@H](C)O	842231105	GGKUCRKMSHRMGM-YPMHNXCESA-N	303.362	1.196	50	20	DDGD	
CCC(=NNC(=O)COc1ccccc1C#N)c1cnn(C)c1	741812505	WFXXWUSCGHTLNJ-UHFFFAOYSA-N	311.345	1.601	50	20	DDGD	
Cc1cc(C(=O)NN(C)C[C@@H](C)O)nn1-c1cccc(C#N)c1	910151853	JVEWMJNNVHTEJN-GFCCVEGCSA-N	313.361	1.010	50	20	DDGD	
CCc1cccc(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1	844576734	CWGMKTWCYBRSMN-CYBMUJFWSA-N	309.391	1.069	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CCn2cc(C)cn2)cc1	846372498	SXTQXMOJKWQSGB-UHFFFAOYSA-N	316.361	1.440	50	20	DDGD	
CN(CCCC(=O)NC(N)=O)CCO[Si](C)(C)C(C)(C)C	844343116	CJDQUMSBRVHXJX-UHFFFAOYSA-N	317.506	1.915	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C(F)(F)C(F)F)cc1OC	749331534	MWTKWXZSIIBFFC-UHFFFAOYSA-N	324.230	1.365	50	20	DDGD	
CCc1cc(Br)ccc1NNC(=O)N[C@@H](C)CN	841982850	SFDXEKXXKUVUNK-QMMMGPOBSA-N	315.215	1.985	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCOc2c(F)cccc21	921256022	JSVBOWUMCNCAJG-UHFFFAOYSA-N	305.309	1.051	50	20	DDGD	
CC[C@@](O)(CC(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccc1	840468518	GIHLKUHIUGYJEO-WMLDXEAASA-N	320.389	1.391	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)c2ccccc2)cc1F	920250288	DIEIIJRKACNGDX-UHFFFAOYSA-N	301.321	1.967	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC3(C2)OCCO3)C[C@H]1Br	856955000	JVGCODFFTUHVRI-MWLCHTKSSA-N	319.199	1.318	50	20	DDGD	
C=CCS(=O)(=O)CCNC(=O)NNc1ccc(F)c(F)c1	921901691	RUHHKXBMGRJUMG-UHFFFAOYSA-N	319.333	1.192	50	20	DDGD	
Cc1nc(C=NNC(=O)[C@@H](C)CN2CCCCCC2)[nH]c1C	853281251	QKCRILTUVAYULR-LBPRGKRZSA-N	305.426	1.989	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cc(F)cc2nn[nH]c12)C1CC1	855099837	OTXRDQZKDWXGKV-LURJTMIESA-N	322.369	1.004	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1cccc(-n2cccn2)c1	755932331	NLUTXEAYTKDXQB-UHFFFAOYSA-N	310.317	1.667	50	20	DDGD	
C[C@H]1CN(C(=O)OC(C)(C)C)CCC1=NNC(=O)c1cc[nH]n1	853392956	XCWXYRUHNGNMDB-JTQLQIEISA-N	321.381	1.772	50	20	DDGD	
NC(=O)c1cc(C(=O)NNC(=O)c2cc3ccccc3o2)co1	759922568	OSHMOPSRMIZJCB-UHFFFAOYSA-N	313.269	1.200	50	20	DDGD	
O=C(NNc1ccncn1)c1cc(F)ccc1N1CCOCC1	857520561	COYXBBYYONCQJF-UHFFFAOYSA-N	317.324	1.209	50	20	DDGD	
CC(C)[C@H](CO)ONC(=O)NC[C@@]1(C)C[C@@H]1Br	856960440	PHRMTEREKJFMCE-ATZCPNFKSA-N	309.204	1.408	50	20	DDGD	
O=CN1CCC[C@@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	854988609	CDVISLPQQBOZOF-MRVPVSSYSA-N	303.149	1.452	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)nc1O	756752089	ZDTNPZUISOAWJN-QJPTWQEYSA-N	305.382	1.935	50	20	DDGD	
Cn1c(=NNC(=O)C[C@@](C)(O)C2CC2)sc2ccccc21	755449459	DRFLOXCWCWPGFW-OAHLLOKOSA-N	305.403	1.723	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1cccnc1)OCC(F)(F)F	856026093	MAYQXCXADZNHPU-DTWKUNHWSA-N	303.240	1.505	50	20	DDGD	
C[C@@H]1C(=O)N(C)CCN1C(=O)NC[C@@]1(C)C[C@@H]1Br	856903809	UWEYELDEGJCSPQ-VDDIYKPWSA-N	318.215	1.032	50	20	DDGD	
COC(=O)[C@H]1CCC[C@@H](C(=O)NNc2ncc(Cl)cn2)C1	857355923	BVXNZPKIGCOWIP-BDAKNGLRSA-N	312.757	1.553	50	20	DDGD	
C[C@H](C(=O)NNC(=S)N[C@H](C)C1CC1)C(=O)OC(C)(C)C	855094888	GTYOSYVWGLAORE-RKDXNWHRSA-N	315.439	1.258	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CCN(C(C)(C)C)C1	851916951	OEBVBDOBCPXTKS-CYBMUJFWSA-N	318.421	1.812	50	20	DDGD	
CC(C)Oc1ccccc1C(=O)NNc1ccc(C(N)=O)nn1	757404199	KZYIYAASZNFIOZ-UHFFFAOYSA-N	315.333	1.120	50	20	DDGD	
COC[C@H](N[C@@H](C)C(=O)NNC(=O)CC(C)C)c1ccco1	754339181	IQMAJWCLRSHJDU-RYUDHWBXSA-N	311.382	1.139	50	20	DDGD	
COC[C@](C)(NC(=O)NNc1ccc(F)cn1)C(F)(F)F	932322821	YTLVAZRZBXBRAY-JTQLQIEISA-N	310.251	1.814	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1ccc(-c2ccccc2)nn1	857149586	XOAOXWXWAAOKDB-VXGBXAGGSA-N	311.345	1.098	50	20	DDGD	
Cc1ccc(CO[C@@H](C)C(=O)NNC(=O)Cc2cc[nH]n2)cc1	859251716	CKSHWTIOGOPREX-LBPRGKRZSA-N	316.361	1.013	50	20	DDGD	
CC(C)n1nnc(NC(=O)NC[C@]2(C)C[C@H]2Br)n1	933456719	QOLVIAQMUVXEEP-XCBNKYQSSA-N	317.191	1.549	50	20	DDGD	
C[C@H]1CC(=NNC(=O)[C@H]2CCC(=O)N2)c2ccsc2S1	863148994	OFHGSNGZJGHCCA-IONNQARKSA-N	309.416	1.731	50	20	DDGD	
C[C@H](NNC(=O)[C@H]1CCCN(CC(F)(F)F)C1)C(F)(F)F	862309662	SKCMMEOIJCMMQP-YUMQZZPRSA-N	321.265	1.832	50	20	DDGD	
COC(=O)CCCNC(=S)NNC(=O)c1cc(C)cs1	863204921	NGORFELDYBYQJV-UHFFFAOYSA-N	315.420	1.119	50	20	DDGD	
CCO[C@H](CC(=O)NNC(=O)c1ccc(C#N)cc1)C(C)C	760474665	PTAYUHIYYNWGMW-CQSZACIVSA-N	303.362	1.770	50	20	DDGD	
Cn1nc(CNC(=O)NNC(=O)C2CCCC2)c2ccccc21	760173149	FDNLDXDNZWCIOG-UHFFFAOYSA-N	315.377	1.594	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@@H]1CCN1C1CCCC1	862468178	SXGSNGPZTPVFGH-INIZCTEOSA-N	315.417	1.702	50	20	DDGD	
CCC[C@H](O)C(=O)NNC(=O)c1cccc(Br)c1	933661185	PWDBJANRSVWQCU-JTQLQIEISA-N	315.167	1.371	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1conc1C(C)C	861764772	ADZYIYWLHYDOLU-UHFFFAOYSA-N	317.345	1.810	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNc2nnc(C)c(O)n2)cc1	760123819	RQLIXZZFGCCGCI-SECBINFHSA-N	317.349	1.216	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2conc2C(C)C)cc1	863853886	RSGQTRZZWKKQGX-UHFFFAOYSA-N	316.361	1.980	50	20	DDGD	
CCc1ccc(-c2cc(C(=O)NNC(=O)[C@@H](C)C#N)n[nH]2)cc1	768267901	HFDOZGSLFCDJKR-JTQLQIEISA-N	311.345	1.560	50	20	DDGD	
COc1ccc(/C=C/C(=O)NN[C@H](C)C(F)(F)F)cc1O	862315740	FDEQJKIULGHWHN-YZCDNWJKSA-N	304.268	1.986	50	20	DDGD	
Cc1cc(=NNC(=O)CCSCc2ccccn2)cc[nH]1	862510441	HNJPSCDJIOBHTA-UHFFFAOYSA-N	302.403	1.974	50	20	DDGD	
COc1ccc2oc(C=NNC(=O)[C@H]3CCC(=O)N3)cc2c1	863147858	NSXFREVPUPTSBC-GFCCVEGCSA-N	301.302	1.170	50	20	DDGD	
CN(C)c1ccc2c(c1)NC(=O)C2=NNC(=O)c1cccnc1	761724511	XOPHPGVQZVQUPR-UHFFFAOYSA-N	309.329	1.234	50	20	DDGD	
COC(=O)c1cn([C@@H]2CCN(/C(=C\C#N)c3ccccc3)C2)nn1	760866944	BFDUAOVATKUENT-WYLIHXSISA-N	323.356	1.876	50	20	DDGD	
CCOCC(=O)NN[C@@H](CC)C(=O)N(C)c1ccc(C)cc1	871873915	YVLHBDBXSHTGCV-AWEZNQCLSA-N	307.394	1.394	50	20	DDGD	
CCC(CC)[C@@H](C)C(=O)NNc1nc(O)c2cnn(C)c2n1	761745214	YETKDFZXARQCIG-MRVPVSSYSA-N	306.370	1.584	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cnc3n2CCCC3)c1Cl	1116745215	GJEIUBDRUBEHEA-UHFFFAOYSA-N	307.745	1.002	50	20	DDGD	
C=C[C@@H](COC)NS(=O)(=O)c1ccc(CCCl)cc1	1116615773	MWOCCDIYDDZMDU-LBPRGKRZSA-N	303.811	1.947	50	20	DDGD	
Cc1c(C(=O)NNc2cncc(Br)c2)cnn1C	1116396080	XWAVBTMCROAAID-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc([S@@](C)=O)cc1	1116209946	WNYWBDZITNKJQB-OAQYLSRUSA-N	309.435	1.606	50	20	DDGD	
CCC[C@H](C)N1C[C@H](C(=O)NNc2ccc(F)cn2)CC1=O	874651178	KPVGXIGVVKRHLN-WDEREUQCSA-N	308.357	1.701	50	20	DDGD	
CC#CCCNC(=O)NNC(=O)c1ccc(OC)c(OC)c1	776204176	CZSYLEBEWJFHRQ-UHFFFAOYSA-N	305.334	1.061	50	20	DDGD	
Cc1cnc(C(=O)NNc2cncc(Br)c2)cn1	1116390187	XWPQFQFFMGIGSM-UHFFFAOYSA-N	308.139	1.699	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NN=C1CCN(C)C1=O	773089814	AQLKDJWSSJBNEY-VIFPVBQESA-N	309.753	1.442	50	20	DDGD	
O=C(NNC(=O)c1ccc(OC(F)F)cn1)c1ccccc1	771846745	PWFPLTUXIFKXKU-UHFFFAOYSA-N	307.256	1.758	50	20	DDGD	
Cc1onc(CC(=O)NNC(=O)c2cc3ccccc3o2)c1C#N	779527000	AIXJRDTXVXKYOT-UHFFFAOYSA-N	324.296	1.605	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2ccc(Cl)nc2)nc(C)n1	1116722135	CLIRLUPEMYXBDY-UHFFFAOYSA-N	320.740	1.224	50	20	DDGD	
Cc1onc(CC(=O)NNc2ccc(F)c(F)c2F)c1C#N	779538421	ZEXYTNOAZULDGD-UHFFFAOYSA-N	310.235	1.958	50	20	DDGD	
CS[C@H](C(=O)NNC(=O)C1CCOCC1)c1ccccc1	883063761	BMCHGOZNLKKSHV-ZDUSSCGKSA-N	308.403	1.665	50	20	DDGD	
CN1C(=O)Cc2cc(OS(=O)(=O)CCCCl)ccc21	882132972	ZSEMYJQQAPUSCW-UHFFFAOYSA-N	303.767	1.543	50	20	DDGD	
O=C(Cc1ccccc1CO)NNC(=O)c1ccc(Cl)nc1	779741571	JSJOIPRCBOLHHE-UHFFFAOYSA-N	319.748	1.231	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)c2cc(Cl)ccc2O)CCO1	776455930	RNWZSXCCWPILRL-IUCAKERBSA-N	312.753	1.622	50	20	DDGD	
O=C(Cc1c[nH]c2ccc(F)cc12)NNC(=O)C1CCOCC1	883063317	LIOHAAWJVUBODU-UHFFFAOYSA-N	319.336	1.424	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H]1CCC[C@H](C(N)=O)C1	786697019	QMQVGCHBHOYJJZ-RYUDHWBXSA-N	303.362	1.048	50	20	DDGD	
Cc1cnc(C(=O)NNc2nc3ccccc3c(=O)n2C)c(C)c1	780511207	RNPUYWRPZYAAHV-UHFFFAOYSA-N	323.356	1.702	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)c1cccnn1	882058409	GPEZITPBDGHIPJ-FRRDWIJNSA-N	302.378	1.844	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2C[C@@H]3C[C@@]3(CO)C2)cc1	783815257	WYVQUSSZMGDFBI-UUZNBNJVSA-N	312.369	1.833	50	20	DDGD	
COc1cccc(NNC(=O)C[C@H](C)n2nc(C)cc2C)n1	780767927	CJLHVLUSJXZNEL-LBPRGKRZSA-N	303.366	1.998	50	20	DDGD	
CC(C)[C@H]1C[C@@H](NS(=O)(=O)CBr)CCO1	782478279	AGBBBZZGVXWENO-DTWKUNHWSA-N	300.218	1.462	50	20	DDGD	
O=C(NN=C1CC(c2ccc(Cl)cc2)C1)C(=O)NC1CC1	783816691	UMPZIFKXDGRSSG-UHFFFAOYSA-N	305.765	1.968	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1C[C@H](c2ccccc2)OC1=O	887148929	BYVNQJDKXSAGAC-ZIAGYGMSSA-N	314.341	1.242	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCC(=O)NCc1ccc(F)cc1	786678424	DAYWSROCMUUUPO-QPEQYQDCSA-N	302.305	1.845	50	20	DDGD	
CN(NC(=O)C(=O)Nc1ccc2c(c1)CCO2)c1ccccc1	783432252	RXUHLGFWOWIOKW-UHFFFAOYSA-N	311.341	1.728	50	20	DDGD	
Cn1cc(-c2ccc(F)c(C(=O)NN=c3cc[nH]cc3)c2)cn1	782778358	LOYMNNPWVSXNSF-UHFFFAOYSA-N	311.320	1.800	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C(C)(C)C(C)C	784332956	FBHSSSCYBNBEST-LLVKDONJSA-N	300.399	1.794	50	20	DDGD	
Cc1cc(C(F)(F)C(=O)NNc2cnnn2C)cnc1Cl	899142588	CSGVWZYQHNEGFU-UHFFFAOYSA-N	316.699	1.407	50	20	DDGD	
CN(C)[C@H](CC(=O)NNC(=S)NC(C)(C)C)c1ccccc1	899996351	UBSGCCYWIQYZPQ-CYBMUJFWSA-N	322.478	1.973	50	20	DDGD	
COc1cc(NNC(=O)NCCCNC(C)=O)ccc1Cl	788871769	NDDLSZLDNBJTRS-UHFFFAOYSA-N	314.773	1.501	50	20	DDGD	
COc1cncc(C(=O)NNc2ncnc3ccsc23)n1	790786601	CSSQOJWHPLMVTP-UHFFFAOYSA-N	302.319	1.247	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1c[nH]nc1-c1cccnc1	791261986	NXENUXBYIFRTEX-UHFFFAOYSA-N	320.316	1.271	50	20	DDGD	
CC(C)(C)c1cc(CS(=O)(=O)N2CC=C(C#N)CC2)no1	790262894	VTAJDRJJGGYEJO-UHFFFAOYSA-N	309.391	1.958	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1cccc(F)c1F	792379361	FNXCKKZTTSBVEY-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CCCc3nn(C)cc32)cc1	799100050	FHTDINYXNIVPED-CYBMUJFWSA-N	300.362	1.992	50	20	DDGD	
O=C(CCc1cncnc1)NNC(=O)c1cccc2ncccc12	794299263	ZQKXNDBRHWOQLC-UHFFFAOYSA-N	321.340	1.419	50	20	DDGD	
CCc1cncc(C(=O)NNC(=O)CNc2ccc(C)cc2)c1	790496616	WRKCGSNYEOTHES-UHFFFAOYSA-N	312.373	1.826	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc(F)c(F)c(F)c2)n1	794081608	KRTFDNGFOHWDFV-UHFFFAOYSA-N	309.247	1.882	50	20	DDGD	
CC(=O)NNC(=O)c1cc(F)c(F)cc1C(=O)c1ccccc1	792773845	LKDAORJIHVXUEH-UHFFFAOYSA-N	318.279	1.977	50	20	DDGD	
CCS[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)NNC(=O)CC(C)C	794605841	SOIQJRQRQBDQRH-FRRDWIJNSA-N	315.483	1.832	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCC[C@H](c2cccnc2)C1	799872513	UCKSOLUMCUOLOI-ZDUSSCGKSA-N	314.389	1.834	50	20	DDGD	
CCc1ccc(C(=O)NNc2ccc(C(N)=O)nn2)cc1CC	1319821561	YIRNYKIHJSYHOJ-UHFFFAOYSA-N	313.361	1.457	50	20	DDGD	
Cc1ccc2c(c1)S[C@@H](C(=O)NNC(=O)N1CCOCC1)C2	1318043306	RUFOOBPLRISHDC-CYBMUJFWSA-N	321.402	1.085	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H](C)c1ccc(F)c(F)c1	1323169327	OLXZHIRLZNUUHJ-VIFPVBQESA-N	315.320	1.435	50	20	DDGD	
O=C(NNC(=O)c1cncn1-c1ccccc1)c1nccs1	1320823474	NQGQIBMKDWRZME-UHFFFAOYSA-N	313.342	1.404	50	20	DDGD	
Cc1cc(Cl)cc(C)c1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1	1328938206	YYHAJEQZJDDRFF-JTQLQIEISA-N	324.768	1.388	50	20	DDGD	
Cc1nnc(NNC(=O)c2cncc(C(F)(F)F)c2)nc1O	1324342311	GVLHSYAQWOAUJF-UHFFFAOYSA-N	314.227	1.056	50	20	DDGD	
COCCOCC(=O)NNc1ccc(F)cc1Br	153710118	QKPPKOPKOGWIFN-UHFFFAOYSA-N	321.146	1.694	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cnn(C2CCC2)c1	1339873084	ZECHOYYWKXMZRT-UHFFFAOYSA-N	314.436	1.674	50	20	DDGD	
C[C@@]1(CNC(=O)N2C[C@@H]3CC[C@H](C2)N3)C[C@H]1Br	1332552251	XFPHVRNBEWJBMH-KLBPJQLPSA-N	302.216	1.306	50	20	DDGD	
O=C(NNc1cncc(Br)c1)c1cc2n(n1)CCO2	1330126023	DQSBXLDDAICHQW-UHFFFAOYSA-N	324.138	1.190	50	20	DDGD	
CN(C)CCn1cc(NC(=O)NNc2cc(F)ccc2F)cn1	1332980040	IJEFVBSYQONORF-UHFFFAOYSA-N	324.335	1.872	50	20	DDGD	
Cn1nc(Br)cc1C=NNC(=O)C1CCOCC1	1333199562	REQOBEUHKKFPCR-UHFFFAOYSA-N	315.171	1.059	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)CN3C2)n1	1346610817	AKJNQEWOQQDTHN-RAIGVLPGSA-N	319.409	1.357	50	20	DDGD	
O=C(NNc1cncc(Br)c1)c1cnc2n1CCC2	1347744221	YXRZEDKMLYIHSA-UHFFFAOYSA-N	322.166	1.744	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNc1cncc(Br)c1	1344114080	VHCLLFWCYXXNOD-SECBINFHSA-N	320.212	1.401	50	20	DDGD	
COc1ccc(NNC(=O)NCC2CC(OC)(OC)C2)nc1	1514697370	ZZRVMJCRRGTWEY-UHFFFAOYSA-N	310.354	1.115	50	20	DDGD	
CCNC(=O)NN=Cc1ccc(F)c(-c2nn[nH]n2)c1Cl	1609229641	NBEDPQDHYQQIAQ-UHFFFAOYSA-N	311.708	1.312	50	20	DDGD	
C[C@H](C(=O)O)N(C(=O)/C(C#N)=C/c1ccc(O)cc1)C1CC1	1609706617	ZVWMUBROTOVDFM-ZDIKFAODSA-N	300.314	1.763	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cccc(-n3cccn3)n2)c1	1608936487	WOPVIPFXWUXJBU-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
CSC1(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCC1	1609369124	MGLYEAJKTJMIHU-UHFFFAOYSA-N	304.379	1.596	50	20	DDGD	
O=C(O)c1cc(F)cc(C(=O)NNc2ncncc2Cl)c1	1608848989	JOKPZGAZTFQUHC-UHFFFAOYSA-N	310.672	1.724	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccnc(OC(F)F)c2)nc1	1608904932	QAPYMYKHEUQUJB-UHFFFAOYSA-N	324.243	1.533	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12	1606860868	BUNJSEFWUZIQCL-QKGWFMCXSA-N	310.361	1.602	50	20	DDGD	
O=C(O)C12CCC(C(=O)NNc3ncc(Cl)cn3)(CC1)CC2	1601731174	YFKPQMSSHNCFQG-UHFFFAOYSA-N	324.768	1.998	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H](C(=O)O)C(C)C)c(C)c1	1605296859	QAYDSRUQWASQKV-CQSZACIVSA-N	321.377	1.220	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)c1cnc2cccnn12	1602229959	MEPJEDUAOVMHGK-UHFFFAOYSA-N	315.264	1.324	50	20	DDGD	
Cc1cc(COCC(=O)NNc2ccc(C(=O)O)cc2F)on1	1610461551	MKGMPGKIKHGURH-UHFFFAOYSA-N	323.280	1.480	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H]2CCCO[C@@H]2c2nccn2C)no1	1549316066	NOEAIBHFINFZHL-STQMWFEESA-N	317.349	1.335	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@H]1C=NNC(=O)C1CCOCC1	1552923058	VYTQXVBYJDBKHF-UONOGXRCSA-N	320.393	1.509	50	20	DDGD	
CNNC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F	1578745079	RLVJVVUHYXKLOQ-UHFFFAOYSA-N	302.231	1.894	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2ccc(N)cn2)cc1	1579205853	MFPQWMNHSIAHRW-UHFFFAOYSA-N	314.345	1.066	50	20	DDGD	
CNNC(=O)CCc1nc(O)c2c3c(sc2n1)C[C@H](C)CC3	1578745320	UJCQAXIUVQMLFV-MRVPVSSYSA-N	320.418	1.705	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1ccccc1CC(=O)O	1589693663	UYLIFFKWYGHXIH-UHFFFAOYSA-N	307.350	1.190	50	20	DDGD	
CC(C)C(=O)NNC(=O)NC[C@](C)(C(=O)O)c1ccccc1	1588799469	JJIVGZFIPJBRHW-HNNXBMFYSA-N	307.350	1.015	50	20	DDGD	
CC(=O)C[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1846326649	ICSLYACOXYNXDA-GXSJLCMTSA-N	318.776	1.339	50	20	DDGD	
CC(C)(C(=O)O)c1csc(NC(=O)NNc2ncccn2)n1	1589655643	DABFVIUKFOCKCC-UHFFFAOYSA-N	322.350	1.444	50	20	DDGD	
C=CCSCC(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1841883881	WOLWEBNZBFAITF-LLVKDONJSA-N	320.817	1.643	50	20	DDGD	
CCC(CC)(C(=O)O)C(=O)NN=c1cc[nH]c2cccnc12	1589475689	HCZBIWJWVSWUGS-UHFFFAOYSA-N	302.334	1.386	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc(O)c(F)c1	1593164889	RLNVVBCNMYCOIF-UHFFFAOYSA-N	314.280	1.468	50	20	DDGD	
CN(NC(=O)c1ccc(-c2nn[nH]n2)cc1F)c1ccccc1	1591154124	GZTJVEKBRYXHBF-UHFFFAOYSA-N	312.308	1.787	50	20	DDGD	
COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)C(C)(C)C)C1	1842664737	QFQYPEWNYWXPFS-LLVKDONJSA-N	316.829	1.490	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(Cl)c(C(=O)O)c1	1596861540	OTNGEWBOBDEGBN-UHFFFAOYSA-N	315.713	1.227	50	20	DDGD	
O=C(O)C1(C(=O)NNc2cc(F)cc(Cl)c2)CCOCC1	1594865022	SCAKEPXJTFDNBP-UHFFFAOYSA-N	316.716	1.804	50	20	DDGD	
CC(C)Cn1nccc1C(=O)NNc1ccccc1C(=O)O	1591533436	SWCGZIYVIOQPDD-UHFFFAOYSA-N	302.334	1.994	50	20	DDGD	
CCOC(=O)NN=Cc1ccc(N2CCC(C(=O)O)CC2)o1	1590884406	ZPNXSZXQHQNRJL-UHFFFAOYSA-N	309.322	1.661	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2snc(C)c2C(=O)O)n1	1776057979	VJVFWXIPMPGRJN-UHFFFAOYSA-N	304.331	1.617	50	20	DDGD	
O=C(NN=C1C[C@@H]2COC[C@H]2C1)Nc1ccc(C(=O)O)cc1	1776046831	KJYZCFRUDIQZEE-GHMZBOCLSA-N	303.318	1.919	50	20	DDGD	
O=C(NN=Cc1cnc2n1CCC2)Nc1ccc(C(=O)O)cc1	1776045709	GKNTVTKMGCNEHE-UHFFFAOYSA-N	313.317	1.683	50	20	DDGD	
CCCOc1cccc(CC(=O)NNC(=O)c2cnn(C)c2)c1	153856594	WWHAQYVAWPFQLA-UHFFFAOYSA-N	316.361	1.213	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H]2OCCc3ccccc32)n1	155610683	OJISIRLEYGSFMS-ZDUSSCGKSA-N	300.318	1.242	50	20	DDGD	
Cc1noc(Cl)c1CCC(=O)NNc1ncnc2nc[nH]c12	156295446	GBDMOJWLPIVAPG-UHFFFAOYSA-N	321.728	1.379	50	20	DDGD	
CS[C@H](C)CC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	155499306	FSUUYTQBZXOXMQ-NXEZZACHSA-N	314.382	1.882	50	20	DDGD	
O=C(COC(=O)/C=C/c1ccco1)NNC(=O)c1cccs1	6472816	XAHKISPQFMIZGF-AATRIKPKSA-N	320.326	1.359	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CCOc2c1cccc2C(C)C	753923597	KXQRCHAPPDOFSP-UHFFFAOYSA-N	317.389	1.937	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)c1cccc2ncccc12	106814328	NJXVJSDYYNZMJN-LBPRGKRZSA-N	313.357	1.977	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccc(N(C)C)c(F)c2)nn1	106336422	RNRSSMSOOJDCGM-UHFFFAOYSA-N	318.356	1.816	50	20	DDGD	
CC[C@H]1CCCCN1CCNC(=O)NNc1nc(C)cc(C)n1	113405691	CNEGVKTYRGKFAR-AWEZNQCLSA-N	320.441	1.984	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCOC1)c1cc(-c2ccccc2)on1	171026626	HHNTXKWZJFKUHJ-LBPRGKRZSA-N	315.329	1.529	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc(COc2ccccc2C#N)o1	56376431	PSTXOWDYEUWNLW-UHFFFAOYSA-N	314.301	1.304	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1ccc2c(c1)OCCCO2	171328607	ZVHIPACOANIXJW-ACCUITESSA-N	302.330	1.908	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)c2ccc(C#N)cc2)CCS1	176077233	UUGODBOFQBBAKI-ZDUSSCGKSA-N	318.402	1.740	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(F)c(F)c(F)c1	171288366	BCHYUZBHEPJEPY-UHFFFAOYSA-N	305.256	1.084	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccccc2OCC2CC2)cn1	117682313	VOXFXDLEGRMDOE-UHFFFAOYSA-N	314.345	1.284	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccc2ccccc12)n1cncn1	172870121	PZHBMNKGJRAFOR-LLVKDONJSA-N	309.329	1.454	50	20	DDGD	
CC1CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC1	175472905	CETSKUARMDMSEP-UHFFFAOYSA-N	300.362	1.051	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2c(F)cccc2F)cn1	119867912	MBQBPWMCRPKRIR-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@@H]2CCCc3occc32)cn1	117958172	OUXJGOZSBFHQLH-LLVKDONJSA-N	303.322	1.035	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2O)s1	69572778	KTWMKSSEEWZAAG-UHFFFAOYSA-N	312.372	1.385	50	20	DDGD	
CO[C@]1(C)C[C@@H](NC(=O)NNC(=O)Cc2ccncc2)C1(C)C	177563762	DCBLFOBREGMFKY-MLGOLLRUSA-N	320.393	1.158	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)c1	176766292	WQJXYHMSWNWZAI-SECBINFHSA-N	316.283	1.244	50	20	DDGD	
CC(=O)c1ccc(NC(=S)NNC(=O)NCC2CC2)cc1	64937165	GAVCCVPXQCCUDP-UHFFFAOYSA-N	306.391	1.800	50	20	DDGD	
CS[C@H](C)CC(=O)NNc1nc2ccccc2c(=O)n1C	121144778	MGDQBQNYEHLAMS-SECBINFHSA-N	306.391	1.518	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](c1ccccc1)C(F)(F)F	66699950	PBJOVIPGRCAZQL-NSHDSACASA-N	319.283	1.657	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2ccc(C(F)(F)F)nn2)nc1	124479116	WWDFPIQVGKOSHJ-UHFFFAOYSA-N	308.223	1.519	50	20	DDGD	
O=C(C[C@@H]1C=CCCC1)NNc1nccc(N2CCOCC2)n1	188432928	NGCVKGXUILHWMO-CYBMUJFWSA-N	317.393	1.503	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)c1ccc(O)cc1O	182416718	ZPZSRGSBBJRQPA-UHFFFAOYSA-N	312.285	1.905	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNC(=O)c1cccc(N(C)C)c1	188919596	CYPOXRJTUBZCEU-UHFFFAOYSA-N	300.362	1.474	50	20	DDGD	
O=C(NNc1cnccn1)c1ccn(-c2ccc(F)cc2F)n1	186424246	NAZFAKKUFKQCPQ-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
CC(=O)Nc1cccc(C(=O)NNC(=O)c2ccc[nH]2)c1C	188228826	QDTPUBDJTISMMR-UHFFFAOYSA-N	300.318	1.356	50	20	DDGD	
O=C(CSCc1cccs1)NNC(=O)c1cccnc1	32897471	QVWZAZMBHMTILO-UHFFFAOYSA-N	307.400	1.838	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1ccc(O)nc1	188192058	VGURJXKEIKVBLR-UHFFFAOYSA-N	314.330	1.458	50	20	DDGD	
CC(=O)N1CC(C(=O)NNc2ccc(-c3ccccc3)nn2)C1	188406611	STYUPAXJUPLARH-UHFFFAOYSA-N	311.345	1.065	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(C2CC2)nc2onc(C)c12	126484106	KCIKVAWQOYTQBT-UHFFFAOYSA-N	304.306	1.800	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CNC(=O)c1cccc(Cl)c1	77219612	OOHORKJQABMPOR-UHFFFAOYSA-N	311.769	1.263	50	20	DDGD	
O=C(NNc1ccncc1)Nc1ccnn1C[C@@H]1CCOC1	123214592	DSEGGALPZUVPIC-NSHDSACASA-N	302.338	1.463	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@@H]1SCCc2ccccc21	79327809	WYZHYZFFXUBBIU-CQSZACIVSA-N	315.398	1.817	50	20	DDGD	
C[C@H](C1CC1)n1cc(NC(=O)NNC(=O)c2ccncc2)cn1	189755244	MFWJALVNAFIMKJ-SNVBAGLBSA-N	314.349	1.716	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CC2CCSCC2)c1	135465106	ILWLGNJIAGYOFU-UHFFFAOYSA-N	303.387	1.853	50	20	DDGD	
CCc1ccnc(C(=O)NNc2nc3ccccc3c(=O)[nH]2)c1	182796616	PBNCAYJKAHHFJJ-UHFFFAOYSA-N	309.329	1.637	50	20	DDGD	
O=C(C[C@@H]1CCCCO1)NNc1nc(-c2ccncc2)no1	132613182	ZQWYKZVMMQVHTB-NSHDSACASA-N	303.322	1.534	50	20	DDGD	
O=C(NNC(=O)c1cccc(OCC(F)F)n1)c1ccncc1	133516436	QBFLYYIQTUQLDK-UHFFFAOYSA-N	322.271	1.195	50	20	DDGD	
CCOc1ccc(OCC(=O)NNC(=O)c2ccc(C)o2)cc1	84291858	WMQWTIAFECRZJE-UHFFFAOYSA-N	318.329	1.827	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccccc1)C(C)(C)CN(C)C	85358554	SYTWUZXCQBDLIO-GFCCVEGCSA-N	306.410	1.607	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cccc(-c2ncn[nH]2)c1	191930423	FNOLQOJCCDMZBH-UHFFFAOYSA-N	320.316	1.271	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Cn1nc(C)cc1C)c1ccccc1	198150031	MEZFXKVMFHPJFL-OAHLLOKOSA-N	314.389	1.841	50	20	DDGD	
CC(C)(C(=O)NNC(=O)Cc1ccncc1)c1ccc(F)cc1	81024926	OXLJMPDXTBLDNB-UHFFFAOYSA-N	315.348	1.888	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)COc2ccc(F)cc2)O1	268388947	ZYBFMWKFUQPION-WCQYABFASA-N	310.325	1.310	50	20	DDGD	
CC(C)n1ccc(C(=O)NNC(=O)Cc2ccccc2F)n1	265073707	UCRYILHUVICUQY-UHFFFAOYSA-N	304.325	1.607	50	20	DDGD	
CO[C@H]1CCCN(CC(=O)NNC(=O)c2ccc(F)cc2)CC1	363672586	KCOXOIWMLDPNJC-AWEZNQCLSA-N	323.368	1.088	50	20	DDGD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)c1ccc(Cl)nc1	279928588	NGMSKSJHXLYIEI-BDAKNGLRSA-N	309.753	1.501	50	20	DDGD	
NNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	270186824	BEHFJQRNMKMZET-UHFFFAOYSA-N	317.798	1.118	50	20	DDGD	
CC(C)(C(=O)NNc1c(F)cccc1Cl)S(C)(=O)=O	274416289	BAVHJBAPZFPJHI-UHFFFAOYSA-N	308.762	1.745	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@H]2CCO[C@@H](C)C2)c1	271256148	LPVJVCHZUOZQHX-STQMWFEESA-N	321.377	1.272	50	20	DDGD	
C[C@@H]1Oc2ccc(NC(=O)NNC(=O)C3CCC3)cc2NC1=O	272836310	NSAPYSLQSQGJEZ-QMMMGPOBSA-N	318.333	1.359	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2c(C)nn(C)c2C)c1	272807860	KOOVPUKKGWMOEH-UHFFFAOYSA-N	302.334	1.580	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1	279436844	QYYAIGGXYPBAHP-GUBZILKMSA-N	322.390	1.153	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)C(C)(C)C)c1-c1ccccc1	271737297	UXPTUDFZSZVQIW-UHFFFAOYSA-N	300.362	1.894	50	20	DDGD	
COc1ccc(C2(C(=O)NN(C)C(N)=O)CCCC2)cc1OC	272181787	LRHMCHNXIAEOOU-UHFFFAOYSA-N	321.377	1.557	50	20	DDGD	
COCCN(C)NC(=O)c1nn(-c2ccccc2)c2c1CCC2	288306696	CGEIUCSZGWWRJL-UHFFFAOYSA-N	314.389	1.584	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)[C@@H]1CC1(Cl)Cl	286674504	PTEIXNAVLDSGEL-ZETCQYMHSA-N	313.148	1.299	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C[C@H](C)C(C)C)cc1	282341947	AUOWEGDLZAEPIH-LBPRGKRZSA-N	305.378	1.763	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@]2(C)CCO[C@@H]2C2CC2)n1	375818135	VWPUJBOCJAMPMQ-CJNGLKHVSA-N	319.409	1.925	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H](C)N1CCSCC1	288744465	PVLAVHKIBJEMPN-NSHDSACASA-N	324.406	1.784	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CCc3cnn(C)c3C2)nc1	282229226	HIJSOHMANDJDDD-SNVBAGLBSA-N	301.350	1.072	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNC(=O)COc1ccccc1OC	284823396	ALVHIOYVCVBDJP-HNNXBMFYSA-N	305.334	1.161	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NNc1nccnc1C1CCC1	287184831	LUVMMQRFBXAQGS-YPMHNXCESA-N	320.393	1.771	50	20	DDGD	
O=C(NC[C@@H]1CCCSC1)NNC(=O)c1ccccc1F	287951125	LHQUSRAYFWJROM-JTQLQIEISA-N	311.382	1.913	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)CC(C)(C)O)cc2C1	280113314	XYHBJDKIHKVYEM-VIFPVBQESA-N	310.419	1.795	50	20	DDGD	
CN(C)c1ccnc(C(=O)NNc2nccnc2C2CCC2)c1	286938202	JQLPAZHYIXUQEB-UHFFFAOYSA-N	312.377	1.962	50	20	DDGD	
O=C(NNc1cccc(F)n1)NC1CCN(CC2CC2)CC1	286523496	NKERUKHHEIHKQD-UHFFFAOYSA-N	307.373	1.721	50	20	DDGD	
NC(=O)N[C@@H](CC(=O)NCC(Cl)Cl)c1cccs1	288860534	KMSKAVHAZWREOL-LURJTMIESA-N	310.206	1.768	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1O[C@H](C)C[C@@H]1C	282521203	LAKQSNYOPUESJF-BBGACYKPSA-N	324.352	1.554	50	20	DDGD	
NC(=O)c1ccc(CC(=O)NNC(=O)Nc2ccccc2)cc1	801988630	JTOVNSJAWWWGQT-UHFFFAOYSA-N	312.329	1.181	50	20	DDGD	
O=C(CSCC(=O)c1ccccc1)NNC(=O)CC1CC1	294217967	QKGPDYWTARDGFU-UHFFFAOYSA-N	306.387	1.550	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCc2cnn(C)n2)cc1	802979552	CZQXQIKCMMVOQV-MDWZMJQESA-N	312.329	1.864	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CCCC#N)cc(OC)c1OC	290949981	LVFIZOFTMNDAPS-UHFFFAOYSA-N	321.333	1.167	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cccc(-n2cccn2)c1	802023941	ANBHVOFPWAYKLA-UHFFFAOYSA-N	322.328	1.156	50	20	DDGD	
COc1ccc(C(=O)CCCC(=O)NNC(=O)N(C)C)cc1	299370696	KXBIMHAOYGDJBX-UHFFFAOYSA-N	307.350	1.351	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1c(C)nsc1C	295553006	XETGJDVZRCPDEG-UHFFFAOYSA-N	315.395	1.310	50	20	DDGD	
COC(=O)COc1cccc(C(=O)NCC(Cl)Cl)c1	297061564	KULCRVHCFANWEF-UHFFFAOYSA-N	306.145	1.772	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)cc([N+](=O)[O-])c1	295251741	AGHFPNJDJDSBHE-LBPRGKRZSA-N	307.306	1.233	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1OC	292896407	BOOGBOMLYRSVAT-GWCFXTLKSA-N	322.361	1.422	50	20	DDGD	
CN1C(=O)CC[C@@H]1C(=O)NNc1ccc(C(F)(F)F)cn1	807269020	XRVQMIAVPGGIGO-MRVPVSSYSA-N	302.256	1.164	50	20	DDGD	
CO[C@H]1CCCC[C@@H]1NC(=O)NNc1ncc(F)cc1F	297790922	DROPSMMGLNSXLZ-QWRGUYRKSA-N	300.309	1.944	50	20	DDGD	
C[C@H](OC[C@H]1CCCCO1)C(=O)NNC(=O)c1ccccc1	299313420	NCKIWMJOGMMGBY-GXTWGEPZSA-N	306.362	1.422	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CC2CC2)c1OC(F)F	294123032	KNANFBBFZNACAF-UHFFFAOYSA-N	314.288	1.858	50	20	DDGD	
COc1ncc(C)cc1NC(=O)NNC(=O)[C@H]1CCCCO1	296764816	HAZBMFSGNLCSMI-LLVKDONJSA-N	308.338	1.120	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2cc(O)ccc2[N+](=O)[O-])n1	803096745	GCRRPUNAQOATSD-UHFFFAOYSA-N	324.684	1.083	50	20	DDGD	
CO[C@@H]1CCC[C@H](C(=O)NNC(=S)Nc2ccccn2)C1	814413607	JTRFJFJHJRENPU-WDEREUQCSA-N	308.407	1.604	50	20	DDGD	
CCS(=O)(=O)c1ccc(F)c(C(=O)NN(C)C2CC2)c1	819647158	LAHHATRPBAKFOG-UHFFFAOYSA-N	300.355	1.358	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCCO[C@@H](CN)C1	818012539	NXRPMMHVQHRQCD-UWVGGRQHSA-N	307.232	1.372	50	20	DDGD	
CC(=NNC(=O)Cc1ccncc1)c1cccc(-c2nn[nH]n2)c1	819772179	ADPGLJMHYNZPHX-UHFFFAOYSA-N	321.344	1.345	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CC[C@@H](C(=O)O)[C@H](C)C1	814864402	CMKIWFVMBRCSTF-CKYFFXLPSA-N	300.355	1.031	50	20	DDGD	
CCCN1C(=O)C(=NNC(=O)Cc2cc[nH]n2)c2ccccc21	814955647	QFCQGMMKLIECQL-UHFFFAOYSA-N	311.345	1.229	50	20	DDGD	
Cc1cc(N2C[C@H](C(=O)NN(C)C3CC3)CC2=O)ccc1F	819649705	IWMJXHMZXIZUEX-LLVKDONJSA-N	305.353	1.612	50	20	DDGD	
Cn1c2c(ccc1=O)C(=NNC(=O)CC(F)(F)F)CCC2	814812501	ZCNJSXJZVLIUFG-UHFFFAOYSA-N	301.268	1.494	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=C1CCN(c2nccs2)CC1	814955478	IOAGLHSKHCYTDC-UHFFFAOYSA-N	304.379	1.181	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)Cc2cc[nH]n2)[C@H](C)C1	814955853	AOITYQMTBVKGPA-MNOVXSKESA-N	306.366	1.424	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H](O)c1ccc(Cl)cc1F	813411888	FUQVQEVUBHPPER-SNVBAGLBSA-N	302.733	1.706	50	20	DDGD	
CCOc1ccc(NNC(=O)C(=O)Nc2nc(C)cs2)cc1	815817205	IAMLDBJILOCLIV-UHFFFAOYSA-N	320.374	1.932	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1)NOC/C=C/Cl	812703425	BVSHWVOCSMSEJV-LZCJLJQNSA-N	304.133	1.968	50	20	DDGD	
CCc1c(C(=O)NN(C)[C@H](C)CO)cnn1Cc1ccccc1	823970701	JIWUUHBMCFCPNR-CYBMUJFWSA-N	316.405	1.451	50	20	DDGD	
Cn1c(S)nnc1CNC(=O)/C(C#N)=C/c1ccc(F)cc1	490841651	JHCVPGWPHOGLHK-UXBLZVDNSA-N	317.349	1.466	50	20	DDGD	
CCC(=NNC(=O)CCCNC(=O)OC(C)(C)C)c1cn[nH]c1	496638845	ADESXNYWTJBZRV-UHFFFAOYSA-N	323.397	1.945	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(S(C)(=O)=O)ccc1CC	494009453	PGRJBOVOFMJAEY-UHFFFAOYSA-N	314.363	1.043	50	20	DDGD	
Cc1ccc(-c2nn[nH]n2)cc1NC(=O)NNC(=O)C1CCC1	826277988	NXFKMFLKFNLYML-UHFFFAOYSA-N	315.337	1.128	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NC[C@H](O)COCC1CC1	491047434	IUTIEMZXGOOORP-KAMPRCONSA-N	316.357	1.203	50	20	DDGD	
COCCc1ccc(OCCCC(=O)NNC(=O)N(C)C)cc1	729968022	FNWPJOSPRPZIMC-UHFFFAOYSA-N	323.393	1.337	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-]	823928970	TVIPXIVUFHLTKB-SSDOTTSWSA-N	319.720	1.274	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cn(-c2ccc(Cl)cc2)nn1	495624739	HMQMUPSYJKQQEQ-UHFFFAOYSA-N	309.713	1.264	50	20	DDGD	
CCCN(NC(=O)C1(C#N)CCOCC1)C(=O)OC(C)(C)C	495632061	WVVCEMAAOBCMGP-UHFFFAOYSA-N	311.382	1.985	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@H]2CCc3cc(F)ccc32)cn1	828088629	YILCZTGEPSUYHZ-ZDUSSCGKSA-N	302.309	1.050	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C(C)C)nnn1-c1ccccc1Cl	728856376	ZSEDBLOERRTOGM-UHFFFAOYSA-N	321.768	1.646	50	20	DDGD	
CC(=NNC(=O)CC(C)C)c1ccc(-c2nn[nH]n2)c(F)c1	823948215	HQFZFSVAENASIK-UHFFFAOYSA-N	304.329	1.892	50	20	DDGD	
CCOc1c(CN2CC[C@@H](B(O)O)C2)c(C)nn1CC(C)C	585077303	TWEJLXHMALVRDK-CYBMUJFWSA-N	309.219	1.295	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CCS[C@@H]2C)c1	828548551	FMFCRZSBGCAQFJ-BXKDBHETSA-N	309.391	1.993	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2c(C3CC3)cnn2C)n1	829483304	XMGZQKDJSZBAMQ-UHFFFAOYSA-N	302.338	1.161	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(C)c(N2CCNC2=O)c1	491008466	IFXFPXJCEUZDSK-ZRDIBKRKSA-N	314.345	1.907	50	20	DDGD	
CCC(CC)[C@H]1C[C@@H](NC(=O)c2cccc(B(O)O)c2)CCO1	584971866	GNRVCJKTDMLBTN-JKSUJKDBSA-N	319.210	1.080	50	20	DDGD	
CC1=C(C)C(=O)N(CCC(=O)NNc2cccc(F)c2F)C1=O	901167731	LNKUSZLUBCYGRQ-UHFFFAOYSA-N	323.299	1.503	50	20	DDGD	
CCC1(C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)CC1	820943652	AFKLNGPVYSSPDR-UHFFFAOYSA-N	305.342	1.611	50	20	DDGD	
O=C(NCc1ccccc1N1CCCC1)NNC(=O)C1CCC1	732454004	QNZQWEZWFWIBAO-UHFFFAOYSA-N	316.405	1.917	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)NNc1cccc(F)n1)C2	496327312	PQOOPIWDJMMYLC-DCAQKATOSA-N	320.324	1.307	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCC[C@H](F)C1	902995962	PXZWTLJVKZXNMF-AWEZNQCLSA-N	307.369	1.119	50	20	DDGD	
COCC1(C(=O)NNC(=O)Cc2ccccc2OC)CCCC1	837659562	YKSHHYXGPKLCRM-UHFFFAOYSA-N	320.389	1.592	50	20	DDGD	
COC(=O)NNC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1	495325978	DKVPOUAYMPJOEX-UHFFFAOYSA-N	323.349	1.963	50	20	DDGD	
COC(=O)c1n[nH]c2c1CN(C[C@H](C)CBr)CC2	831997378	CPPMKSMQASBYFE-MRVPVSSYSA-N	316.199	1.585	50	20	DDGD	
CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)NNc1ccncn1	836310953	WFRNIPLBABSEHN-WCQYABFASA-N	307.398	1.944	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1nc(Cl)ccc1F	833246585	NFRZOBWURNHDNK-QMMMGPOBSA-N	301.705	1.204	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1cc(O)cs1	732257397	MTAAOQJUHKFWRQ-UHFFFAOYSA-N	322.342	1.302	50	20	DDGD	
COC(=O)N(C)NC(=O)C[S@@](=O)c1ccc(Cl)cc1	908112793	JAMSPFXYDRJCPY-LJQANCHMSA-N	304.755	1.177	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)[C@H](C)C2CCC2)C[C@@H](C)O1	839473798	JQPUCAHBDAFIRY-FRRDWIJNSA-N	311.426	1.069	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)o1)c1ccc(OC(F)F)cc1	585015084	OCIZSBBYTZHWAH-VIFPVBQESA-N	311.093	1.412	50	20	DDGD	
CCN(C(=O)c1cccc(B(O)O)c1)[C@@H](C)Cc1ccsc1	584975728	YRVGVPODKFAAQB-LBPRGKRZSA-N	317.219	1.521	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1ccc2c(c1)C(C)(C)C(=O)N2	833384331	HEEMVHHFIFAINB-UHFFFAOYSA-N	318.333	1.024	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)COCc2ccccc2)nc1	737636550	POHNLIZYAAWBQN-UHFFFAOYSA-N	309.325	1.041	50	20	DDGD	
COC(=O)c1ccc(CNC(=O)NNC(=O)C2CCCC2)o1	734216574	WFIMICBXGABTFY-UHFFFAOYSA-N	309.322	1.087	50	20	DDGD	
CN1CCO[C@H](C(=O)NNc2cc(Cl)ccc2Cl)C1=O	901164942	NHTCOBUYJQEDKW-SNVBAGLBSA-N	318.160	1.294	50	20	DDGD	
COCCCOCCC(=O)NNc1ccc(C(F)(F)F)cn1	832394975	DUARYRDTRXXWKA-UHFFFAOYSA-N	321.299	1.987	50	20	DDGD	
C[C@H](NCc1ccccc1B(O)O)c1ccccc1OC(F)F	585015216	STERRRHWNXSTTP-NSHDSACASA-N	321.132	1.819	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1cccc(C#N)c1)c1cnn(C)c1	839650347	LIXYGUXTHGTOSC-LLVKDONJSA-N	311.345	1.247	50	20	DDGD	
CO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(C)o2)C12CCC2	838770468	XBXJOCGRXHSJOK-VXGBXAGGSA-N	307.350	1.490	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	735594489	SHUORUDYQVMQDN-UHFFFAOYSA-N	302.338	1.064	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@@H]1CSc2ccccc21	838629292	SKYIEMFGSPEXQC-SNVBAGLBSA-N	309.391	1.243	50	20	DDGD	
O=C(NCCCOC1CCCC1)NNC(=O)[C@@H]1CCCCO1	836262800	FHRBWSMEKAOGPB-ZDUSSCGKSA-N	313.398	1.235	50	20	DDGD	
CCn1cc(C=NNC(=O)[C@H](C)Oc2ccc(F)cc2)cn1	732527783	JKNQXMTYBCJNOK-NSHDSACASA-N	304.325	1.960	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NC[C@@H]2CCC=CO2)cc1	836414961	XQYRLCTUWYSGIM-ZDUSSCGKSA-N	320.349	1.724	50	20	DDGD	
O=C1NCC[C@@H]1C(=O)NNc1ccc(OCC(F)(F)F)cc1	830810824	VLXUUNDNJKHKLE-JTQLQIEISA-N	317.267	1.207	50	20	DDGD	
O=C(CCN1CCCCCC1)NN=C1COc2cc(O)ccc21	915951359	AZWWPESKMAAODR-UHFFFAOYSA-N	317.389	1.871	50	20	DDGD	
CCCCNC(=O)NNC(=O)C1(c2ccccc2OC)CC1	749174265	TWLMNAXBVDTEHZ-UHFFFAOYSA-N	305.378	1.857	50	20	DDGD	
O=C(NNC(=O)c1ncccn1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21	841594021	PHHDDBHGBCVILK-RXGFPQBGSA-N	315.377	1.245	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1cccc(F)c1	843651045	JYZACASLKKIQIY-KCSRWMALSA-N	306.337	1.801	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NC[C@@H](N)C1CC1)c1ccccc1	841965170	DFAZFFGLNDACED-CYBMUJFWSA-N	304.394	1.032	50	20	DDGD	
N#Cc1cccc(NNC(=O)CCCCN2CCOCC2)c1	748048146	GZTJPNYIPHDRBC-UHFFFAOYSA-N	302.378	1.504	50	20	DDGD	
C[C@H](N)CNC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	841988195	ZPNPLBPDZYRXCC-IUCAKERBSA-N	310.423	1.164	50	20	DDGD	
O=C(NCc1ncc(-c2ccccc2)o1)NNc1ncccn1	916626127	AUEWFTZYKJDQRU-UHFFFAOYSA-N	310.317	1.958	50	20	DDGD	
COc1cc(C=NNC(=O)N2CCOCC2)ccc1SC	746494250	KVZZRRMUUIVMQF-UHFFFAOYSA-N	309.391	1.793	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cccc1[N+](=O)[O-]	843658594	FIEMCFXPXWWNIL-CMPLNLGQSA-N	321.333	1.018	50	20	DDGD	
Cc1ccc([C@H](O)CNC(=O)NNC(=O)c2ccccc2C)o1	741270053	OJJRJDYRCGODCD-CYBMUJFWSA-N	317.345	1.574	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)[C@@H]1CCCN1C(=O)C1CC1	844132700	LAJYRMURASMLFE-INIZCTEOSA-N	324.384	1.501	50	20	DDGD	
O=C(O)COc1cccc(C=NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)c1	844611276	IAVXFGHHGFAIRY-MGPQQGTHSA-N	318.329	1.168	50	20	DDGD	
Cn1cccc1CNC(=O)NNC(=O)Cc1ccc(Cl)cc1	743710543	QHYKBUVOZDMVCV-UHFFFAOYSA-N	320.780	1.752	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1ccc(CC(=O)OC)cc1)C(C)C	845204011	PJGBGEBDCWBUCV-CQSZACIVSA-N	303.362	1.686	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(C2CC2)n1	843661057	NEHSSTBQKMIIQE-PWSUYJOCSA-N	303.362	1.453	50	20	DDGD	
CCN(CCO)CCNS(=O)(=O)c1ccc(CCl)cc1	914385054	NWWQFRHKLCBIFD-UHFFFAOYSA-N	320.842	1.018	50	20	DDGD	
O=S(=O)(CBr)N[C@H]1CCCN2CCCC[C@@H]12	848507974	CEOMWVRDDUQSNQ-UWVGGRQHSA-N	311.245	1.275	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(C(F)F)cc1F	847098812	OYXCEHDTILJMHK-VXNVDRBHSA-N	316.279	1.949	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC(C(F)(F)F)CC1	744419674	JKNPROCHTAGQOP-SNVBAGLBSA-N	323.359	1.843	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C[C@H](C)n2cccn2)cc1	846377184	OKJWGKLCWHDNSN-LBPRGKRZSA-N	316.361	1.693	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)COc2ccc(C#N)cc2)c2ncnn21	841607195	RNPPRBUQIAOJPK-SNVBAGLBSA-N	310.317	1.014	50	20	DDGD	
CC(C)(N)CNC(=O)NNC(=O)c1c(Cl)cccc1Cl	841951141	RPPJSRPWQVEVRV-UHFFFAOYSA-N	319.192	1.675	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)nn1[C@H](C)C1CC1	843662355	QSWPOCXPZIAPPH-NTZNESFSSA-N	320.393	1.349	50	20	DDGD	
O=C(NC[C@H]1CCCO1)NNc1ncc(Br)cn1	846761280	CPYRTOYOOPYQBR-MRVPVSSYSA-N	316.159	1.044	50	20	DDGD	
Cn1nc(C2CC2)nc1CC(=O)NNC(=O)Nc1ccccc1	843880406	NVURVWADNPLAQO-UHFFFAOYSA-N	314.349	1.088	50	20	DDGD	
COc1ccc2c(c1)[C@H](C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)CC2	843656115	MCIXBWKBXZWZLY-DDTOSNHZSA-N	318.373	1.297	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1C(=O)C1CC1)Nc1ccccc1	843880412	NZOODEOKEGPCLE-ZDUSSCGKSA-N	316.361	1.240	50	20	DDGD	
Cc1ncsc1C=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1	743429662	WKGNKIWTNKXZCV-IJLUTSLNSA-N	324.450	1.647	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCc1cccc(N(C)C)c1	843656646	NKQDOXJNVWBMSP-IUODEOHRSA-N	319.405	1.258	50	20	DDGD	
CN(Cc1cn(C)nn1)C(=O)NC[C@@]1(C)C[C@H]1Br	856893850	QTLIBPXRLDHPLK-MWLCHTKSSA-N	316.203	1.130	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1CNC(=O)NNC(=O)c1cc(C)cs1	858345352	AZKFCMXNTPFERR-GHMZBOCLSA-N	311.407	1.816	50	20	DDGD	
CCC(=O)Nc1ccc(C)c(NC(=O)NNC(=O)C2CC2)c1	753945809	LXIKTAJMKMJKHM-UHFFFAOYSA-N	304.350	1.906	50	20	DDGD	
CC(C)c1nn(C)c2sc(C(=O)NNc3cnnn3C)cc12	857271480	NQXBZHQSWVMNAI-UHFFFAOYSA-N	319.394	1.644	50	20	DDGD	
CSC(C)(C)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	854219660	SNFCVONJQMZXHK-UHFFFAOYSA-N	305.403	1.999	50	20	DDGD	
CC(CCn1cccn1)=NNC(=O)CCCNC(=O)C(C)(C)C	853407095	FTEVXURUUOAKLJ-UHFFFAOYSA-N	321.425	1.708	50	20	DDGD	
CC1=C(C(=O)NNC(=O)Cn2nc(C)cc2C)CCN1C(C)C	929310607	IKMPHLBKDCFJSI-UHFFFAOYSA-N	319.409	1.035	50	20	DDGD	
CO[C@H]1COCC[C@H]1CNC(=O)NNc1ccc(Cl)cn1	852369801	HODABIPBTKOHPP-ONGXEEELSA-N	314.773	1.413	50	20	DDGD	
CC(=NNC(=O)NCC1CC1)c1cccc(N2CCOCC2)c1	920829666	UMQLIDQPENHVOC-UHFFFAOYSA-N	316.405	1.956	50	20	DDGD	
COc1cccc(-c2cc(C(=O)NNC(=O)C3CCC3)on2)c1	859327775	ARDIUYBKLWLJBH-UHFFFAOYSA-N	315.329	1.911	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)c2c[nH]nc2C)cc1	755337679	SAMXQRGYXJEQJD-UHFFFAOYSA-N	303.322	1.583	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cn(C)nc2C(F)F)c(O)c1	755255245	AVEBTGBUQSHMNK-UHFFFAOYSA-N	324.287	1.447	50	20	DDGD	
CCOC(=O)CSCC(=O)NNC(=O)c1ccc(C)cc1	754753611	HEBZOCGHBISJGN-UHFFFAOYSA-N	310.375	1.052	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1oc(Br)cc1C	854925964	QVHAWQSRGGIOFM-UHFFFAOYSA-N	306.185	1.431	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](C)Cc2cnc[nH]2)c1C	855624218	FZOHMSIYSJLDOQ-JTQLQIEISA-N	316.361	1.827	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C1CN(C2CC2)C[C@H]1C	755879398	JTHIRTQOYOPQQC-GFCCVEGCSA-N	316.405	1.693	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@H](O)c1cc(F)c(F)c(F)c1	856402675	DJSNXTCVOAIXPY-UPZNUWHASA-N	314.263	1.697	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H]1CCc2ccccc2O1)C1CC1	855095682	ONRIUSVMHFPTBS-HZMBPMFUSA-N	319.430	1.674	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)[C@H]1CC=CCC1	855829127	GVMQDZSAQWCPHF-LBPRGKRZSA-N	309.410	1.433	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(F)cc(F)c1	755891532	ALYGOYRUVMGXKA-SECBINFHSA-N	316.329	1.240	50	20	DDGD	
O=C(O)c1ccc2c(c1)CCCCC2=NNC(=O)c1cc[nH]n1	853392190	KJOGQPXSSQLQCN-UHFFFAOYSA-N	312.329	1.968	50	20	DDGD	
COc1ccc(-c2n[nH]cc2C(=O)NNc2cccnn2)cc1	753079458	QGTHLZNLNWSRDK-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
Cc1cc(CNC(=O)NC[C@]2(C)C[C@@H]2Br)on1	856826612	AWVBYLLJWLMOMW-ONGXEEELSA-N	302.172	1.956	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1c(F)cc(C#N)cc1F)C1CC1	855099052	QMRJKQBXAMWEBZ-SSDOTTSWSA-N	324.356	1.744	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)c2cncc(F)c2)C[C@H]1Br	856756555	QRJSLYOOLKJBOK-ZJUUUORDSA-N	323.187	1.673	50	20	DDGD	
O=C1CSC[C@@H](C(=O)NNc2cccc3c2CCCC3)N1	935022354	FSUHQBXZDQVRCY-ZDUSSCGKSA-N	305.403	1.240	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNc1cc(F)c(F)cc1F	935024280	STBLJRHVUYQEEO-RNFRBKRXSA-N	302.252	1.746	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ccc(F)c(Cl)c2)CCC1	863082598	NVXWMWMQWOZOTA-UHFFFAOYSA-N	320.773	1.890	50	20	DDGD	
COC1(CNS(=O)(=O)CC(C)(C)CCl)CCOCC1	866994963	VWYFGSVLHIAZHO-UHFFFAOYSA-N	313.847	1.366	50	20	DDGD	
C[C@H](c1ccccc1F)[C@@H](O)C(=O)NNC(=O)C1CCCC1	864845475	VYZBYCWISBNYAR-QMTHXVAHSA-N	308.353	1.628	50	20	DDGD	
COC(=O)CN(CC#N)C(=O)[C@H](Br)C(C)(C)C	768171732	RSIIQCDHEWTCHB-VIFPVBQESA-N	305.172	1.321	50	20	DDGD	
C[C@@H](C(=O)NNc1cccnc1Cl)N1CCSCC1	764560099	CFVKXOBFKJWPSB-VIFPVBQESA-N	300.815	1.615	50	20	DDGD	
C=C(CBr)CN1CCCC[C@@H]1CS(N)(=O)=O	931230981	OKRVCIYGGATJJG-SNVBAGLBSA-N	311.245	1.081	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@H](OC)C(C)C)cc1	769887136	SLZHDUWORWBCBX-OAHLLOKOSA-N	308.378	1.446	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)C2CCN(C(C)C)CC2)c1	862476175	LBLYHAXZRKWCHT-UHFFFAOYSA-N	309.435	1.938	50	20	DDGD	
COc1cc(O)c(C=NNC(=O)c2ccc(N)cc2)cc1OC	768358940	ZQHUNNQBGZARNQ-UHFFFAOYSA-N	315.329	1.756	50	20	DDGD	
COC(=O)C12CCC(C(=O)NN[C@H](C)C(F)(F)F)(CC1)C2	862318276	QIVDGJZAQCDBDU-HUUUCTMMSA-N	308.300	1.682	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)N(C)NC(=O)OCc1ccccc1	862289350	PSEAGAFEJZFKBL-CYBMUJFWSA-N	321.377	1.434	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccn(CC(C)C)c2=O)o1	934354005	PUHDUCYAGFIIDE-UHFFFAOYSA-N	317.345	1.481	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H](C)OCc1cccc(C)c1	865016551	MDCQBYKWNGNIJC-CYBMUJFWSA-N	323.393	1.267	50	20	DDGD	
Cc1nn(CC(=O)OC(C)C)c(C)c1C=NNC(=O)CC(C)C	768355634	SACPLBBNYNPWDS-UHFFFAOYSA-N	322.409	1.948	50	20	DDGD	
C=CCNC(=S)NNC(=O)C(C)(C)c1cccc(OC)c1	864457970	WIDACYONNMOQLO-UHFFFAOYSA-N	307.419	1.654	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cnc3ccsc3c2)n[nH]1	765588454	OXNZPPHAUCQFRJ-UHFFFAOYSA-N	301.331	1.403	50	20	DDGD	
CCO[C@H]1CCCC1=NNC(=O)COc1ccc(C#N)cc1	766431623	YFOIDVPJWDLWAL-HNNXBMFYSA-N	301.346	1.998	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccc(C(F)(F)F)cn1	760920782	MCQSNTXSVRHMOT-UHFFFAOYSA-N	301.203	1.786	50	20	DDGD	
COC(=O)c1ccc(C(C)=NNC(=O)c2c[nH]nc2C)cc1	767784713	HCCNFTPGOXFNBG-UHFFFAOYSA-N	300.318	1.659	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NC[C@@H](O)c1ccsc1	867056362	RBUGOBUZSMWUPY-SNVBAGLBSA-N	311.856	1.966	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(F)c(F)cc1F)[C@@H]1CCC(=O)N1	860326592	LRCQTPHTDUIIMV-LDWIPMOCSA-N	301.268	1.462	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NC[C@H]1CN2CCC[C@H]2CO1	866675917	TVQJDYOPAFNDEN-RYUDHWBXSA-N	324.874	1.034	50	20	DDGD	
O=C(NNC(=O)C1CC1)C(=O)Nc1cccc(Cl)c1Cl	763564318	ZHMZCUPYFZPLNP-UHFFFAOYSA-N	316.144	1.489	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCCn1cnc2ccccc21	875016076	PJNUDNZZEKPYMO-UHFFFAOYSA-N	305.338	1.339	50	20	DDGD	
C#CC[C@H](CCOC)NC(=O)NNc1cccc(C(=O)OC)c1	875916162	CHMGBJMAPLTBRX-CYBMUJFWSA-N	319.361	1.528	50	20	DDGD	
O=C(NNc1ccc(Cl)c(F)c1)N[C@H]1C[C@H](C(=O)O)C1	874426196	FPRRZQBLWYXGGW-FKQCQYRASA-N	301.705	1.968	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1c(N)cccc1[N+](=O)[O-]	779473358	ODNZHNVOPFTHTK-UHFFFAOYSA-N	314.301	1.560	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc2c(cc1Cl)OCO2	878102238	PWJSFDACNBPBHI-UHFFFAOYSA-N	301.730	1.683	50	20	DDGD	
CC/C(C)=C(/C)C(=O)NNC(=O)Cc1cn2ccccc2n1	779974767	QOIWDYVKQXTFKA-QXMHVHEDSA-N	300.362	1.771	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(Cl)c(F)c1	772234754	IHPLVBNCBDMRLF-ZETCQYMHSA-N	316.716	1.582	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cn2c(C)cccc2n1	1116450114	RKLXQIHGOFOSFA-UHFFFAOYSA-N	323.447	1.115	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc(N(C)CCC#N)cc1	872402703	AOGGTQGAQMNOQE-UHFFFAOYSA-N	318.377	1.150	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@H](O)CCc2ccccc2)n1	773861881	FTYGPNFHFQCHNP-SNVBAGLBSA-N	321.768	1.149	50	20	DDGD	
C#CCCCCCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	779746774	GNOIWTFVOSKZCK-ZDUSSCGKSA-N	300.424	1.062	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CN2CCCC2)c1	874949969	KFORJPCVIGAEDD-UHFFFAOYSA-N	302.403	1.081	50	20	DDGD	
COc1ccc(NCC(=O)NN=C(C)c2cn(C)cn2)cc1	872328024	ODVNJCKXOKEPCX-UHFFFAOYSA-N	301.350	1.381	50	20	DDGD	
COc1ccnc(NNC(=O)C(=O)Nc2cccc(Cl)c2)n1	773730017	DIJOYAJYJXMDCZ-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
CC1=C(C(=O)NNc2nccnc2C(C)C)C(=O)OC1(C)C	772823683	PVXRRVYRBUPKGS-UHFFFAOYSA-N	304.350	1.695	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)[C@H](C)Oc2cccc(Cl)c2)co1	772989919	JUSGMTPNAIUOIT-QMMMGPOBSA-N	323.736	1.865	50	20	DDGD	
N#Cc1ccc(NNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)nc1	889319854	FWEBNOPIVWFYDR-ZIAGYGMSSA-N	314.393	1.596	50	20	DDGD	
Cn1ncc(C(=O)NNc2ncccn2)c1Cc1ccccc1	770180707	WAUAMOSGGMHFRB-UHFFFAOYSA-N	308.345	1.558	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cnn(Cc2ccccn2)c1	770038846	JVWLMXSVENUOGG-UHFFFAOYSA-N	304.310	1.109	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccccc1[C@H]1CCC(=O)N1	889176557	XPAAKGFTXDRURH-LLVKDONJSA-N	306.322	1.372	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)NC[C@@H]2C=CCC2)c1	883832508	CTYAOGWNDKXHLY-CQSZACIVSA-N	317.389	1.979	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C1CCC(NC(=O)C2CC2)CC1	887148305	WUCCAELUGKHMIU-UHFFFAOYSA-N	319.405	1.022	50	20	DDGD	
C[C@@H](O)C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1	786702101	GWHVXXUZLBVJQD-MRVPVSSYSA-N	308.334	1.696	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCCc1ccc(O)c(F)c1	786915909	BBUSOBLASNOCPI-UHFFFAOYSA-N	320.324	1.347	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cccnc2C2CC2)n1	785028013	WVSFBXHZSVAJPF-UHFFFAOYSA-N	313.361	1.234	50	20	DDGD	
CN(CCCN)Cc1cn(/C(Cl)=C\CBr)nn1	881310486	JUWBBZZVFXWSNL-KMKOMSMNSA-N	322.638	1.491	50	20	DDGD	
Cc1ccc(CO[C@@H](C)C(=O)NNC(=O)C2CCOCC2)cc1	883072470	NGRFTNUSRUCTRA-ZDUSSCGKSA-N	320.389	1.474	50	20	DDGD	
COc1ccc(C(=O)NNc2ncncc2Cl)c(OC)c1	781830360	OWNKLNHJXZNRLA-UHFFFAOYSA-N	308.725	1.904	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(CC)s1	788164701	QKIAZBHFFSISDZ-UHFFFAOYSA-N	314.407	1.861	50	20	DDGD	
CCC[C@H](O)CC(=O)NNC(=O)NCc1ccc(Cl)cc1	787436212	QOKMPLHDPQRHGG-LBPRGKRZSA-N	313.785	1.722	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C	789435337	RKGATGLRLVKCGT-UHFFFAOYSA-N	309.326	1.909	50	20	DDGD	
C[C@@]1(CNC(=O)c2cccn3nnnc23)C[C@@H]1Br	899042258	MROIGWYGVVKPGJ-KWQFWETISA-N	310.155	1.028	50	20	DDGD	
CCCCOc1ccc(C(C)=NNC(=O)C(=O)NC2CC2)cc1	788981065	OPKUNYSYYCDUQI-UHFFFAOYSA-N	317.389	1.984	50	20	DDGD	
Cc1nc(C(C)C)nc(O)c1C(=O)NNC(=O)c1cccn1C	892904120	TZWFBRQXBAKVCF-UHFFFAOYSA-N	317.349	1.027	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1CC[C@@H](C)C[C@H]1n1cncn1	794485832	LTGFOBIYFKTVLV-UKRRQHHQSA-N	320.441	1.843	50	20	DDGD	
COCc1cc(C=NNC(=O)Nc2ccc(C(=O)O)cc2)no1	794913780	AQRMDZIIEGOACX-UHFFFAOYSA-N	318.289	1.675	50	20	DDGD	
Cn1cc(C(=O)NN=C2c3ccccc3CC23CCOCC3)cn1	794908685	MJNQQDJWMZQXQP-UHFFFAOYSA-N	324.384	1.907	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@@H](F)CC1CCCCC1	793272258	GIJWLNSQASJXAJ-LBPRGKRZSA-N	301.362	1.368	50	20	DDGD	
CSSCCNC(=O)N[C@H](C)[C@@H](C)N1CCOCC1	790731316	JSYWUFRRCJGUIF-GHMZBOCLSA-N	307.485	1.406	50	20	DDGD	
NC(=O)c1ccccc1CCC(=O)NNC(=O)c1ccccc1	791442866	MTVYSYNKXIBVTH-UHFFFAOYSA-N	311.341	1.179	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ccnn1-c1ccccc1	792650937	TVTRYZVVNQHGDF-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
COC(=O)[C@H]1CC[C@H](C(=O)NNc2ncncc2Cl)CC1	797998053	YBGVGPQKXWBUTK-KYZUINATSA-N	312.757	1.553	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)Nc1ccc(F)c(F)c1	794754521	PEBQXCMBMXLIRA-UHFFFAOYSA-N	307.260	1.640	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2nc3ccccn3n2)n2cccc21	790061284	PGAHFTAIYDSEEO-LLVKDONJSA-N	310.317	1.192	50	20	DDGD	
CO[C@H]1CCC[C@@H](CC(=O)NNC(=S)NCC2CCC2)C1	798124989	HAAGJUZTOWEMMR-OLZOCXBDSA-N	313.467	1.877	50	20	DDGD	
CCn1c(NNC(=O)c2n[nH]cc2C)nc2ccccc2c1=O	799539822	BPFSLYMKMAYOFE-UHFFFAOYSA-N	312.333	1.205	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNC(=O)c1cccnc1	790103415	QJCDMVQQKPVEBP-UHFFFAOYSA-N	300.318	1.259	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)c1cc(C)nc2ccccc12)C1CC1	798126365	VXGLNOHTYCWKIX-HNNXBMFYSA-N	313.357	1.729	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccccc1Cn1cccn1	798306631	OXONJXJDMXDKQY-UHFFFAOYSA-N	315.402	1.226	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(C)nn2C)c2ccccc2n1	799007359	XJNJIUDTFXXRLK-UHFFFAOYSA-N	323.356	1.660	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CCc1ccc2c(c1)CCO2	1319536623	NTDJOHMOYOIMEN-UHFFFAOYSA-N	307.419	1.458	50	20	DDGD	
O=C(NCC1CCC1)NNC(=O)c1cncn1-c1ccccc1	1317894566	NMPBROCJIHBPTD-UHFFFAOYSA-N	313.361	1.616	50	20	DDGD	
CCc1ccnc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)c1	1319925402	MJQOXSKYSWYSAO-UHFFFAOYSA-N	313.361	1.321	50	20	DDGD	
COC(=O)C(=O)NN=Cc1cc(C)c(C)cc1OC(F)F	1323495641	HZOXPJBEXRIRSI-UHFFFAOYSA-N	300.261	1.528	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=CCCc1ccc(F)cc1	1322774357	QLNHMVQJKUCDMV-UHFFFAOYSA-N	318.308	1.304	50	20	DDGD	
CN(C)[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ccccc1O	1322740155	IBNROXZANDQKLD-QWHCGFSZSA-N	320.393	1.209	50	20	DDGD	
C[C@H](O)c1ncc(C=NNC(=O)c2n[nH]c3c2CCCC3)s1	1320848446	NNUSNFYRJNUVIO-QMMMGPOBSA-N	319.390	1.562	50	20	DDGD	
CCOc1ccc2c(c1)CN(CC(=O)NNC(=O)C(C)C)CC2	1325180548	FMDYGWBKHVQIPR-UHFFFAOYSA-N	319.405	1.247	50	20	DDGD	
COc1cc(C(=O)NNc2ccn(C)n2)ccc1OC(C)C	1324864549	LYUYLHWWKLWMAX-UHFFFAOYSA-N	304.350	1.973	50	20	DDGD	
COc1ccc(C=NNC(=O)CCO)c(Br)c1	1321861355	QGLGDTFMPPULFH-UHFFFAOYSA-N	301.140	1.290	50	20	DDGD	
O=C(N[C@@H]1CCc2nnnn2CC1)c1cccc(CCl)c1	1336534411	MGQHJIUKSIGITE-GFCCVEGCSA-N	305.769	1.547	50	20	DDGD	
CC(=O)OC[C@@H](CO)NC(=O)CCCC[C@H]1CCSS1	1339634978	IUKYMXJZOOSLNR-NEPJUHHUSA-N	321.464	1.741	50	20	DDGD	
C[C@@H]1O[C@H](C)C[C@H]1CNC(=O)NNc1nncc(N)c1Cl	1331384620	ALWSGVZCITZAEV-CSMHCCOUSA-N	314.777	1.152	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cn(C(C)C)nc2C)cc1	1261544082	GPQVDMDIXIGKEX-UHFFFAOYSA-N	316.361	1.856	50	20	DDGD	
CCCCS(=O)(=O)/C(C#N)=C\c1c(C(=O)O)nn(C)c1C	1605287630	SCXWXTZIJSKUBW-YFHOEESVSA-N	311.363	1.506	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccn1)c1cnn(CCO)c1	1528458380	OILUSMKUFMPUGZ-UHFFFAOYSA-N	315.255	1.046	50	20	DDGD	
Cc1c(CC(=O)NNc2ccc(CC(=O)O)cc2)cnn1C	1607527339	YHVXMVOZCNBQLM-UHFFFAOYSA-N	302.334	1.041	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccsc2)cc1C(=O)O	1607733619	SHZAXGUHPRBYOY-UHFFFAOYSA-N	318.354	1.758	50	20	DDGD	
Cc1ccn([C@@H](C)CC(=O)NNc2ccccc2C(=O)O)n1	1600594777	OGEKVTKIQAACJH-NSHDSACASA-N	302.334	1.984	50	20	DDGD	
O=C(C[C@H]1CCCC[C@@H]1O)NNc1ccc(C(=O)O)c(F)c1	1601352730	ODJCWOWCYYHAMC-RNCFNFMXSA-N	310.325	1.908	50	20	DDGD	
CCN(CC)CCNC(=O)NNc1ccc(F)c(C(=O)O)c1	1609999462	FRXOTLOCRLKFDC-UHFFFAOYSA-N	312.345	1.492	50	20	DDGD	
Cc1ccc(F)cc1C=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549319401	HSTKWSRYONWJGB-LSDHHAIUSA-N	305.353	1.447	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2C[C@H]2CN)c(Br)c1	1579230732	YGGHTJZMEPUUMN-CBAPKCEASA-N	314.183	1.496	50	20	DDGD	
CC(C)CCC(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2	1845983399	LHVDTFWGKJEYCB-GFCCVEGCSA-N	316.829	1.226	50	20	DDGD	
C=C(C)C[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C(=O)O	1588537655	VBTFWJYACMQEFF-UNJUUPHPSA-N	300.314	1.835	50	20	DDGD	
CC[C@H](C)[C@@H](O)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1841632614	QSKQZCVAXMMIJE-HBNTYKKESA-N	320.792	1.131	50	20	DDGD	
O=C(O)CC[C@@H]1C[C@H](C(=O)NNc2ccc(F)cc2F)CO1	1595006554	SRFAFDVBJXGDCM-WCBMZHEXSA-N	314.288	1.678	50	20	DDGD	
COc1c(C(=O)NNc2ccc(F)c(C(=O)O)c2)c(C)nn1C	1599327940	FMYBUSUCCTVADW-UHFFFAOYSA-N	322.296	1.331	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cc1ccc(C(=O)O)cc1)C1CC1	1593188812	ASDRUIYEFCQJHM-VIFPVBQESA-N	321.402	1.221	50	20	DDGD	
COc1cc(C)c(C(C)=NNC(=O)NCC(=O)O)cc1OC	1599389739	JRISNDIQJMGOSJ-UHFFFAOYSA-N	309.322	1.120	50	20	DDGD	
O=C(Cc1c[nH]c2ncccc12)NNc1ncccc1C(=O)O	1594705098	AWBITYRCEUHWHO-UHFFFAOYSA-N	311.301	1.342	50	20	DDGD	
CCn1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)nn1	1777003974	VRXGNJYSCSAWAC-JXMROGBWSA-N	311.301	1.542	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2cccc(C(=O)O)c2)CCS1(=O)=O	1776096360	XHNWTUXECHHOPI-SECBINFHSA-N	324.358	1.068	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cccc(F)c2C(=O)O)n[nH]1	1776028566	LFQBZFQYLQPKEM-UHFFFAOYSA-N	304.281	1.248	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=C2CNC(=O)c3ccccc32)cc1	1776101260	YVANBBACQAVDAU-UHFFFAOYSA-N	323.308	1.262	50	20	DDGD	
Cc1cc(CC(=O)NNC(=S)Nc2ccc(Cl)cc2)[nH]n1	17514130	XEPOEGUOAFDVIS-UHFFFAOYSA-N	323.809	1.932	50	20	DDGD	
CN1CC[C@@H](NC(=O)NNc2ccc(C(C)(C)C)cc2)C1=O	163191315	AWJMJMHHYATEEV-CYBMUJFWSA-N	304.394	1.841	50	20	DDGD	
CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)c1ccccc1OC	274726978	FZRZQRKAQQMCEW-NSHDSACASA-N	307.394	1.623	50	20	DDGD	
Cc1ccc(C)c(-n2ncc(C(=O)NNC(=O)N(C)C)c2C)c1	151384894	JNMJYBQGEIFOER-UHFFFAOYSA-N	315.377	1.714	50	20	DDGD	
CCCCCCCCC(=O)NNC(=O)C(=O)Nc1ccccn1	151839193	WEVITPWFSNBPHW-UHFFFAOYSA-N	320.393	1.918	50	20	DDGD	
Cn1ccnc(NNC(=O)C(C)(C)c2cccc(F)c2)c1=O	156256735	NPQOXXFORRYRBZ-UHFFFAOYSA-N	304.325	1.340	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)CCl	867604120	FPRVZQGJINYIEQ-DTWKUNHWSA-N	312.819	1.500	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CSc2nnc(C)s2)cc1	515979	BXNKAXGMHMFZDQ-UHFFFAOYSA-N	322.415	1.708	50	20	DDGD	
C[C@@H]1CCC[C@](CNC(=O)NNc2ncccn2)(N(C)C)C1	52587732	SPXIXALYNDRRJZ-DOMZBBRYSA-N	306.414	1.613	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccc(Br)o1	103424866	HMEOGCCIOOSUHA-UHFFFAOYSA-N	324.134	1.441	50	20	DDGD	
CNC(=O)NNC(=O)c1ccccc1C(=O)c1ccc(F)cc1	56376782	QRKDRNRFRSHORN-UHFFFAOYSA-N	315.304	1.631	50	20	DDGD	
O=C(NNC(=O)C1CCCCCCC1)C(=O)Nc1ccccn1	177137907	QSTWMMMHERENHA-UHFFFAOYSA-N	318.377	1.528	50	20	DDGD	
CC(=O)Nc1ccc(F)c(C(=O)NNC(=O)CC(C)(C)C)c1	103196694	DCLGHLPUHXOGAZ-UHFFFAOYSA-N	309.341	1.981	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cccc(OC(F)F)c2)cnn1C	103041514	JDEQTLACYLTMAZ-UHFFFAOYSA-N	324.287	1.405	50	20	DDGD	
Cc1noc(C)c1C(=O)NNC(=O)CCc1ccccc1O	106288360	JERJYONWZMLLPP-UHFFFAOYSA-N	303.318	1.391	50	20	DDGD	
COc1cccc(N2CCN(S(=O)(=O)CCl)CC2)c1	111001106	WRIQUBNUMBYLNH-UHFFFAOYSA-N	304.799	1.343	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)c2ccccc2F)C[C@H](C)O1	68194773	SIAPOCWFSGBLJC-RYUDHWBXSA-N	323.368	1.086	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC2C[C@H](C)C[C@@H](C)C2)n1	172512254	ZLQBXDHJIAORFN-GHMZBOCLSA-N	321.425	1.655	50	20	DDGD	
O=C(NNc1cnccn1)[C@@H]1CC(=O)N(c2ccccc2F)C1	114877947	NXFVQZTVHSHTQB-SNVBAGLBSA-N	315.308	1.112	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NC2Cc3ccccc3C2)cc1	186533010	OARODWKNMWVRAN-UHFFFAOYSA-N	320.352	1.670	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	68266453	RXEHLCOEJMKMOT-UHFFFAOYSA-N	301.350	1.616	50	20	DDGD	
O=C(CCc1ccncc1)NNc1ccc(C(F)(F)F)nn1	124360867	QATPHDBDVHSPML-UHFFFAOYSA-N	311.267	1.966	50	20	DDGD	
C[C@H](C[S@](C)=O)NC(=O)NNc1cc(F)c(F)cc1F	182596907	UYTUROZNFNNSFN-ZFFJSCCISA-N	309.313	1.497	50	20	DDGD	
CC[C@@H]1C[C@H](C(=O)NNC(=O)COc2ccc(C)cc2)CCO1	183392593	WUGRYRXARXRMIV-ZIAGYGMSSA-N	320.389	1.726	50	20	DDGD	
CN(CCNS(=O)(=O)CBr)c1ccccc1	127079454	HHNVKXVPGRDSKP-UHFFFAOYSA-N	307.213	1.395	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCC(=O)NCC1CC1	183945650	WSUQOHSANMNOIL-NTUHNPAUSA-N	301.321	1.375	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1coc(-c2ccccc2)n1	74570220	ZDYZPEZDJHUNPV-UHFFFAOYSA-N	318.333	1.209	50	20	DDGD	
CC(C)(C)c1nnc(NC(=O)NNC(=O)c2ccc[nH]2)s1	184515652	IKTHFRJKBXWJPQ-UHFFFAOYSA-N	308.367	1.630	50	20	DDGD	
O=C(Cc1nc(-c2ccccc2)cs1)NNC(=O)C1CC1	73170266	RIVLYBQBYOJCSM-UHFFFAOYSA-N	301.371	1.910	50	20	DDGD	
CCn1nc(C)c(NC(=O)NNC(=O)c2ccccc2O)c1C	183652136	JGSFLBKZZZYYEJ-UHFFFAOYSA-N	317.349	1.692	50	20	DDGD	
C[S@](=O)c1ccc(NC(=O)NNC(=O)c2ccc[nH]2)cc1F	186170522	QAMXJUVJUXFOMI-QFIPXVFZSA-N	324.337	1.358	50	20	DDGD	
Cc1n[nH]c(SCC(=O)NNc2ccccc2[N+](=O)[O-])n1	72793736	DBCYAWUBNGVKDB-UHFFFAOYSA-N	308.323	1.257	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(COC(C)(C)C)on2)ncn1	184474146	HZOUHAVKZYFWBI-UHFFFAOYSA-N	305.338	1.845	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1	135190336	CEBSNAMXLAYNAE-LBPRGKRZSA-N	324.425	1.154	50	20	DDGD	
O=C(NNc1nc2ccccc2c(=O)[nH]1)c1c(F)cccc1F	137184978	SPCWPYOKNWLLFE-UHFFFAOYSA-N	316.267	1.958	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc(-n3cnnc3)cc2)n1	194652737	KCSPUBNFEIZEBG-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)c2ccc(C)o2)c1Cl	84374138	OCIZKDYLLYHQRI-UHFFFAOYSA-N	310.741	1.841	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@](C)(O)Cc2ccccc2)o1	84374136	YVAIOCZFYZOHSR-MRXNPFEDSA-N	302.330	1.343	50	20	DDGD	
COC1CCC(CC(=O)NNC(=S)N[C@@H](C)C2CC2)CC1	89421395	XJBOBZLYFZDISL-ZBOXLXRLSA-N	313.467	1.876	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNC(=O)COc1ccccc1F	47340528	QJUPNDHDCSXFSE-UHFFFAOYSA-N	321.308	1.199	50	20	DDGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)[C@@H]1CCS(=O)(=O)C1	252677964	BSKGHDZYPWSQMD-VEGXAWMVSA-N	310.419	1.349	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1ccc([N+](=O)[O-])s1	254683031	OEUGKBGBUQDKQT-UHFFFAOYSA-N	322.302	1.129	50	20	DDGD	
CC(C)OC(=O)[C@@H](C)CNC(=O)NNc1ccc(Cl)nc1	266796743	MUEGWTKTGMHKCN-VIFPVBQESA-N	314.773	1.949	50	20	DDGD	
COC(=O)N(C)CC(=O)NNc1ccc(OC(F)F)cc1	269590506	GFFDPRFJUXTPCH-UHFFFAOYSA-N	303.265	1.429	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)N[C@H]2CC=CCC2)cc1	265594956	VKCJCIPVOWMVAR-LBPRGKRZSA-N	319.361	1.513	50	20	DDGD	
CCOc1ccc(OCC(=O)NNC(=O)c2cccn2C)cc1	263766058	DLFOWGCZBLVPMY-UHFFFAOYSA-N	317.345	1.264	50	20	DDGD	
CS[C@H](C)CNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	269941381	WDCKJZMYCKNMJH-MRVPVSSYSA-N	312.351	1.290	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)C(C)(C)C)nn1-c1ccccc1	265612449	XNKCSTUIWXXOTR-UHFFFAOYSA-N	315.377	1.637	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CNC(=O)OC(C)(C)C)n1	267110568	BNOREVJKGODCQQ-UHFFFAOYSA-N	315.761	1.406	50	20	DDGD	
O=C1CCCc2cc(NC(=O)NNC(=O)C3CC3)ccc2N1	274115273	MBFIDKAVWZNRAT-UHFFFAOYSA-N	302.334	1.524	50	20	DDGD	
C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CC=C(C#N)CC1	272665580	PKXOQKKMVWSAJA-SNVBAGLBSA-N	311.345	1.339	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C[C@@H](C)Cc1ccccc1OC	272635502	CIVRVHFTGLHLGY-LBPRGKRZSA-N	307.394	1.956	50	20	DDGD	
CCCc1nnc(NC(=O)NNC(=O)c2ccc(C)o2)s1	273420521	MODMDFDEVPBRQY-UHFFFAOYSA-N	309.351	1.859	50	20	DDGD	
C[C@H]1C[C@H](CCNC(=O)NNC(=O)c2ccccc2O)CCO1	273543568	UCTDQOVJRZHQGO-NWDGAFQWSA-N	321.377	1.541	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)NC1CCCC1	270592782	CXIRKDOKJSPVCL-UHFFFAOYSA-N	309.391	1.757	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)OC(C)(C)C)cc1F	274117372	XOMTZCYXDUIOBM-UHFFFAOYSA-N	320.342	1.552	50	20	DDGD	
COc1ccc2c(c1)OCC[C@H]2NC(=O)NNc1cccnn1	365677106	VOSLHCJVGWUCOM-GFCCVEGCSA-N	315.333	1.635	50	20	DDGD	
Cc1nc2n(n1)C[C@@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)CC2	278733134	RFUSATDJEILHJS-MQJVFOOVSA-N	323.356	1.330	50	20	DDGD	
COC(=O)[C@@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C1CC1	278851118	ATYXNSVNNATGLE-UNJUUPHPSA-N	300.314	1.367	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N2CCOCC2)c(C)cc1Cl	279669166	NAOYCERAWYGRBI-UHFFFAOYSA-N	311.769	1.643	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)COCc2ccccc2)CCO1	271850817	CELZELGWFXVXRL-OCCSQVGLSA-N	306.362	1.166	50	20	DDGD	
COC(=O)[C@]12CCC[C@H]1CN(CCI)C2	377198379	UBKLCEPHGVYLDA-ONGXEEELSA-N	323.174	1.697	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21	284530842	CBQCTIQIQPFPEU-GFCCVEGCSA-N	324.402	1.141	50	20	DDGD	
C[C@@H]1COCC[C@H]1CNC(=O)NNC(=O)c1ccc(C#N)cc1	288354485	YFIXKRMQJURPLM-RISCZKNCSA-N	316.361	1.175	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)C(C)(C)C2CCOCC2)n1	280972373	LKAGTBZGYWMVPR-UHFFFAOYSA-N	322.409	1.100	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNc1cccc(S(C)(=O)=O)c1	281922086	AGVCLLXDUIGPKT-OPQQBVKSSA-N	312.391	1.347	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@](C)(C(N)=O)C1	280230995	ZDISWZIMYRYAHH-AWEZNQCLSA-N	312.801	1.076	50	20	DDGD	
Cc1cc2c(cc1S(=O)(=O)NNC(=O)C(C)(C)C)OCO2	281163019	PHGLVNDWNWNRRM-UHFFFAOYSA-N	314.363	1.079	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@](C)(OC)C1CC1	292389268	QRLHARBQAGVUPJ-INIZCTEOSA-N	306.362	1.200	50	20	DDGD	
CNc1ccc(C(=O)NNc2nc(O)c3ccccc3n2)cn1	807048479	ICEQYSSNMIYVTA-UHFFFAOYSA-N	310.317	1.529	50	20	DDGD	
CC(=NNC(=O)Cc1cn2ccccc2n1)c1cn(C)c(C)n1	800814256	RSXTZLHJWUEONR-UHFFFAOYSA-N	310.361	1.459	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@H]1CC(c2cccnc2)=NO1	804772579	NNGJBTYBEQZGOG-LLVKDONJSA-N	301.281	1.252	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc3c(s2)CCCC3)O1	293257725	WYYLLKWYWYFEFA-ONGXEEELSA-N	308.403	1.955	50	20	DDGD	
CCc1oc(C=NNC(=O)c2cnccn2)cc1C(=O)OC	800809625	DCVONAQOOPFDOJ-UHFFFAOYSA-N	302.290	1.183	50	20	DDGD	
CCCc1noc(CCCC(=O)NNC(=O)[C@@H]2CCCCO2)n1	295343647	IBQCGJRLDZLFBZ-NSHDSACASA-N	324.381	1.061	50	20	DDGD	
Cc1cc(C(F)(F)F)nn1CC(=O)NNc1cccc(F)n1	290828592	HKPIRGPHPYBHQH-UHFFFAOYSA-N	317.246	1.888	50	20	DDGD	
COCc1cc(Cl)cc(S(=O)(=O)NNC(=O)OC)c1	290630948	LEQVIVHHESWYMD-UHFFFAOYSA-N	308.743	1.036	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)nn1	809730801	FMBCGOILJRHGAP-UHFFFAOYSA-N	315.255	1.513	50	20	DDGD	
CO[C@@H](C)c1nsc(NC(=O)NNc2nc(C)cc(C)n2)n1	809923667	BDSPSPUTNQCGBY-QMMMGPOBSA-N	323.382	1.801	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)C(C)(F)F	293389401	DRKFQRUKMPLBQK-UHFFFAOYSA-N	308.306	1.197	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(OC)c(Br)n1	293545159	GKLBPRHABCJAHQ-UHFFFAOYSA-N	318.171	1.076	50	20	DDGD	
COC(=O)CCCCCCNC(=O)NNC(=O)c1ccc[nH]1	298693799	BZDOBAZQFCTNBJ-UHFFFAOYSA-N	310.354	1.082	50	20	DDGD	
COC(=O)[C@H](C)Sc1ccccc1C(=O)NNC(=O)C1CC1	298787090	QLLMGZZBDGDKGH-VIFPVBQESA-N	322.386	1.511	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N[C@@H](C1CC1)C(F)(F)F	808265030	VZKLCCBUAJNLFR-NSHDSACASA-N	316.283	1.295	50	20	DDGD	
COC(=O)c1ccc(C)c(NC(=O)NNC(=O)C(C)(C)C)c1	299254152	BFDIZVMDFSOLBY-UHFFFAOYSA-N	307.350	1.980	50	20	DDGD	
O=C(NCC1(c2ccccc2)CC1)NNC(=O)[C@@H]1CCCCO1	297543122	USKBCMRYWCZDGO-AWEZNQCLSA-N	317.389	1.618	50	20	DDGD	
CSc1nc(C)c(CCC(=O)NNC(=O)N(C)C)c(C)n1	299351090	HANXOOFKGHCPCX-UHFFFAOYSA-N	311.411	1.050	50	20	DDGD	
Cc1cccc2c1OC[C@H](NC(=O)NNC(=O)c1ccc[nH]1)C2	291030810	GFSYHIZSUUWVKF-GFCCVEGCSA-N	314.345	1.271	50	20	DDGD	
CC1(C)CC(C(=O)NNc2nccc(N3CCOCC3)n2)C1	807076113	SKZGQDCOUDUYIH-UHFFFAOYSA-N	305.382	1.193	50	20	DDGD	
CCC1=C(C(=O)NNC(=O)c2ccc(C)cc2O)CCCO1	806528136	WRCNNTZJRMZFMQ-UHFFFAOYSA-N	304.346	1.936	50	20	DDGD	
O=C(NNC(=O)c1cccc(-n2cnnn2)c1)Nc1ccccc1	801991104	IPWNMXMMAAHROZ-UHFFFAOYSA-N	323.316	1.129	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2cn(C(C)C)nn2)cc1	807958413	WURUUBGNNNFYRH-UHFFFAOYSA-N	314.349	1.256	50	20	DDGD	
COC(=O)NCC(=O)NNc1ccc(OC)cc1C(F)(F)F	816702959	JJANZNYLAOUETI-UHFFFAOYSA-N	321.255	1.513	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cccc(F)c1Br	814632245	DHIJLDFVMAJPFD-UHFFFAOYSA-N	318.146	1.942	50	20	DDGD	
COc1ncc(C=NNC(=O)[C@@H]2COc3ccccc3O2)s1	812221406	AAHPXGSXSPEONU-LBPRGKRZSA-N	319.342	1.442	50	20	DDGD	
Cn1cnc2c(C(=O)NNC(=O)Nc3ccccc3)ccnc21	813573761	OAVZRDZDLJGOGC-UHFFFAOYSA-N	310.317	1.435	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1cccc(CO)c1	814869021	ANKHVRJLASRFNG-UHFFFAOYSA-N	312.329	1.053	50	20	DDGD	
CC(=O)Nc1ccsc1C=NNC(=O)N=c1cc[nH]cc1	815001315	DJKKDOFGFOIVLS-UHFFFAOYSA-N	303.347	1.679	50	20	DDGD	
CN(NC(=O)C1(OCc2ccccc2)CCOCC1)C1CC1	819649685	WPMXETGRIKYLFT-UHFFFAOYSA-N	304.390	1.878	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NCC(F)(F)F)ccn1C(C)C	816565714	ZGGCJADZVKQAEV-UHFFFAOYSA-N	306.288	1.884	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)COc2ccc(C)cc2)on1	814742969	ODPUZOPSWNHLBP-UHFFFAOYSA-N	317.301	1.299	50	20	DDGD	
COC(=O)C[C@@H]1CCC(=NNC(=O)N=c2cc[nH]cc2)[C@H]1C	815002113	MTESTPKDZGYSGL-QWRGUYRKSA-N	304.350	1.590	50	20	DDGD	
C[C@@H](CCc1ccccc1F)C(=O)NNC(=O)c1ccnnc1	817694290	XIEMDIRNHSYUJT-NSHDSACASA-N	316.336	1.646	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2ccc(-c3nn[nH]n3)o2)c(C)o1	822175757	AFRVZLOGZDADCF-UHFFFAOYSA-N	300.278	1.433	50	20	DDGD	
COC(=O)C[C@@H]1CCCCN1C(=O)/C(C#N)=C/c1cnn(C)c1	822726095	MNGYGMUYNRYHBD-GUNGLEHYSA-N	316.361	1.271	50	20	DDGD	
CN(C)[C@@H]1CCC[C@@H](NC(=O)/C(C#N)=C\c2cnn(C)c2)C1	491176629	QSMAMBHRWINQJL-KWLXYHDNSA-N	301.394	1.316	50	20	DDGD	
COC(=O)c1cc(F)cc(C(=O)NN[C@H](C)C(F)(F)F)c1	826941522	JQMIZICCMCIMBG-ZCFIWIBFSA-N	308.231	1.798	50	20	DDGD	
COC(=O)NCc1ccc(NC(=O)NNC(=O)C(C)C)cc1	495217952	AAIPKMJEYKQDNP-UHFFFAOYSA-N	308.338	1.351	50	20	DDGD	
CC(C)(C)OC(=O)[C@H](C(=O)NNC(=O)C1CCC1)C(C)(C)C	827215912	GYVJFRYSDRXCPC-NSHDSACASA-N	312.410	1.938	50	20	DDGD	
Cn1cc(C=C(C#N)C#N)c(-c2ccc(-c3nn[nH]n3)cc2)n1	826359580	LEDMEGFUTUQYHX-UHFFFAOYSA-N	302.301	1.698	50	20	DDGD	
C=CC(=O)NCc1ccc(C(=O)NNC(=O)c2ccccc2)cc1	490545402	UJCPZEMIPPFVLS-UHFFFAOYSA-N	323.352	1.564	50	20	DDGD	
Cn1ncc2ccc(CNC(=O)NNC(=O)OC(C)(C)C)cc21	496558384	HQMWJOTVCUHHNF-UHFFFAOYSA-N	319.365	1.812	50	20	DDGD	
COCCONC(=O)/C(C#N)=C\c1cc(C)n(CCOC)c1C	490969732	FLQZYCUHCDNBEF-GDNBJRDFSA-N	321.377	1.353	50	20	DDGD	
CCO[C@@H](CC(=O)NNc1cccc(-c2nn[nH]n2)c1)C(C)C	825577489	XLRAKRZPECVTKK-ZDUSSCGKSA-N	318.381	1.761	50	20	DDGD	
Cc1ccc(C=NNC(=O)NCCNC(=O)OC(C)(C)C)o1	491499764	XSOFVICGYOVDFZ-UHFFFAOYSA-N	310.354	1.746	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(Oc2nccc(C)n2)cc1	493113216	JVFUBULJHZPZQD-UHFFFAOYSA-N	317.305	1.970	50	20	DDGD	
O=C1CCCN1C1CCN(CCI)CC1	190864809	KFXIVEQUZKKHGE-UHFFFAOYSA-N	322.190	1.508	50	20	DDGD	
CCCCNC(=O)NNC(=O)/C=C\c1ccc(OC)c(O)c1	492741250	VOWGDYVFMOFYLJ-VURMDHGXSA-N	307.350	1.545	50	20	DDGD	
Cc1c(C(=O)NN(C)[C@H](C)CO)nnn1-c1cccc(Cl)c1	823965727	TUAHKLVLAFCWJB-SECBINFHSA-N	323.784	1.187	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H]1CCC[C@@H]1c1ccccc1	822786123	KPDYNKPSTBJUHA-CABCVRRESA-N	319.405	1.937	50	20	DDGD	
O=C1CC[C@]2(C(=O)NNc3ccccc3[N+](=O)[O-])SCCN12	825276739	FQOKPRFODBTKOX-CYBMUJFWSA-N	322.346	1.103	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](Cc1nc[nH]n1)c1ccccc1	491043588	AAJNLTISCQFEJC-ZVHGMHCTSA-N	311.345	1.649	50	20	DDGD	
CCC[C@@H]1C[C@@H]1NC(=O)NNc1cccc(-c2nn[nH]n2)c1	821034845	VIZZDDMSJANIST-SKDRFNHKSA-N	301.354	1.681	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cc(CN2CCCC2)on1	497166788	JFORLHYQAZGWOW-UHFFFAOYSA-N	310.354	1.440	50	20	DDGD	
COc1ccc([C@@H]2CCN(CC(=O)NNC(=O)C(C)C)C2)cc1	827607709	WDCKYXKKDUDTEL-CQSZACIVSA-N	319.405	1.288	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cncs1	496966703	ZUDMHFGZWOMAHM-NSHDSACASA-N	322.390	1.510	50	20	DDGD	
CN(C[C@@]1(O)CCc2ccccc21)C(=O)NNC(=O)C(C)(C)C	825965301	WBTIFKMXSVPUBC-KRWDZBQOSA-N	319.405	1.539	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCc2ccon2)c(OC)c1	826646926	LRGGTFGCIGSRFM-UHFFFAOYSA-N	319.317	1.086	50	20	DDGD	
CCCCC[C@@H](O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	822293037	ITHVOYGVPVNMRB-GFCCVEGCSA-N	322.361	1.160	50	20	DDGD	
C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(B(O)O)cc1	584947439	PVRDQQCMUPVREV-XJKSGUPXSA-N	309.174	1.385	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](C)c1noc(COC(C)C)n1	491009442	KFDOGVRDPNMVPX-PAKSIRSJSA-N	308.338	1.616	50	20	DDGD	
CSc1cc(C)ccc1NC(=O)C(=O)NNC(=O)C(C)(C)C	839510666	KUUAVEZQCDUYEW-UHFFFAOYSA-N	323.418	1.849	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NN=c2cc[nH]cc2)cc1	490838540	BDIKCMFFAUIECN-KAMYIIQDSA-N	308.341	1.952	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)c2cccc(Cl)c2)COC1	836630769	QDYCWFJKUUVAFP-UHFFFAOYSA-N	311.769	1.711	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C[C@@H]2CCOC2)cc1OC	739680916	RSLMIOSGGUVFEB-NSHDSACASA-N	322.361	1.282	50	20	DDGD	
COCCC1(C(=O)NNc2ccc(F)c(C(=O)OC)c2)CC1	837038076	ZOVIYACBDLQCMQ-UHFFFAOYSA-N	310.325	1.872	50	20	DDGD	
CCOCCCN1CCC(=NNC(=O)c2c[nH]nc2C)[C@@H](C)C1	735411818	WYAUFSHWXHOFNB-LBPRGKRZSA-N	321.425	1.572	50	20	DDGD	
CC(C)O[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2O)C1	838749290	JEKDYSYBTIAVGB-PHIMTYICSA-N	307.350	1.292	50	20	DDGD	
CC(C)Cn1ncc(NCc2ccccc2B(O)O)c1C1CC1	585040371	DJGRACJYORYKLK-UHFFFAOYSA-N	313.210	1.708	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cnc(-c2ccccn2)s1	732142605	ZICOEBKHHNOLLN-UHFFFAOYSA-N	302.359	1.766	50	20	DDGD	
CC(C)c1[nH]nc(C(N)=O)c1NS(=O)(=O)CCCCCl	830195397	XXAHXWHJVOWASZ-UHFFFAOYSA-N	322.818	1.393	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)Nc1nc2n(n1)CCCC2	836775553	WNYSPAJLDSFYHV-UHFFFAOYSA-N	324.348	1.706	50	20	DDGD	
Cc1cnnn1-c1ccc(NC(=O)NNC(=O)CC2CC2)cc1	831993867	YUGDGMHEKCGHKC-UHFFFAOYSA-N	314.349	1.529	50	20	DDGD	
Cc1cc(C)c(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(C)n1	831823441	YZINUAAZAMZWGI-RYUDHWBXSA-N	306.366	1.585	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@](C)(O)C2CCC2)cc1F	837052462	AIFKXSDPWPZDRC-HNNXBMFYSA-N	310.325	1.607	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H](NC(=O)NNc2cc(F)c(F)c(F)c2)C1	838728549	QODFSWNNYUHALL-RQJHMYQMSA-N	316.283	1.384	50	20	DDGD	
CCOc1ccc(C(C)=NNC(=O)NCC(=O)O)cc1OCC	833663053	GQLRFYVJXCBDGD-UHFFFAOYSA-N	323.349	1.592	50	20	DDGD	
COc1ccc2c(c1OC)OCC2=NNC(=O)[C@@H]1CCCCO1	834986362	UWGHTFFZSSYEJV-ZDUSSCGKSA-N	320.345	1.486	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)c1cc(-c2ccccc2)on1	732528165	DZKYXVDISMRCNC-UHFFFAOYSA-N	321.358	1.492	50	20	DDGD	
COc1ccc(S(N)(=O)=O)cc1C(=O)NNc1ccccc1	732265851	NBNCNMNUKFHEHL-UHFFFAOYSA-N	321.358	1.100	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1nc(C2CCC2)cs1	831781511	QWBLEMPXGXEXAD-PSASIEDQSA-N	324.406	1.988	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1	910152413	QFOMRMMYCAIMGO-MRVPVSSYSA-N	303.265	1.030	50	20	DDGD	
COc1cc(O)c(C=NNC(=O)[C@@H]2CCCCO2)cc1OC	834984771	DCZMVURICSBLFR-LBPRGKRZSA-N	308.334	1.429	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(C)CCCOC(C)C)c1	744404323	NRYAGMFXXMFJEM-UHFFFAOYSA-N	321.421	1.503	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCOCC(F)(F)F)n1	916327065	FQQXZPUAGXUFIR-UHFFFAOYSA-N	307.276	1.298	50	20	DDGD	
O=C(/C=C\[C@H]1CCOC1)NNc1cc(O)nc2ncccc12	913988531	ZYIGHBHMIWBKTQ-XOULXFPDSA-N	300.318	1.371	50	20	DDGD	
CCc1nc2ccc(C(=O)NN(C)C[C@H](C)O)cc2nc1CC	910174659	HHVYRQXSPSTFGJ-NSHDSACASA-N	316.405	1.712	50	20	DDGD	
CCN(CC(=O)NNC(=O)C(C)(C)C)c1ccc(OC)cc1	744391928	PUEWQYFJIUNZQG-UHFFFAOYSA-N	307.394	1.715	50	20	DDGD	
Cc1noc(C(C)C)c1C(=O)NNc1ncnc2[nH]cnc12	740746771	LSMGMVIDUONJDB-UHFFFAOYSA-N	301.310	1.530	50	20	DDGD	
CC1(C)[C@H](NC(=O)NNC(=O)C2CCCC2)[C@H]2CCCO[C@H]21	745860590	XSYPXAPLTHGXHK-JHJVBQTASA-N	309.410	1.711	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NN=Cc2cnon2)cc1	841612556	LDXZOQVHOZDNKM-SNVBAGLBSA-N	304.306	1.386	50	20	DDGD	
Cc1cccc(OCCCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	843644903	GXIULMBWRZIVFN-UKRRQHHQSA-N	320.389	1.726	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1CCCc2ccccc21	916362685	MKACXELDNSGVDW-CQSZACIVSA-N	315.417	1.812	50	20	DDGD	
COc1cc(NNC(=O)C(C)(C)CNC(C)=O)ccc1Cl	846043210	JKVITGNYXFDQNJ-UHFFFAOYSA-N	313.785	1.954	50	20	DDGD	
Cc1nn(C(C)(C)C)cc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843970126	BKRYRKMPPXQBOI-GHMZBOCLSA-N	308.382	1.133	50	20	DDGD	
CC(C)S(=O)(=O)CC(=O)NNc1cc(F)c(F)c(F)c1	746701638	RTTHMOJYGYGKGA-UHFFFAOYSA-N	310.297	1.370	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2ncccn2)cnn1C(C)(C)C	841354339	NCPQVYSUUZGSFF-UHFFFAOYSA-N	316.365	1.065	50	20	DDGD	
CCOCC(=O)NN[C@H](C(=O)OC)c1ccc(Cl)cc1	849320928	SKQBCWPJKKNGDR-LBPRGKRZSA-N	300.742	1.211	50	20	DDGD	
Cn1c(=NNC(=O)[C@@H]2C[C@H](N)[C@H]3C[C@H]32)sc2ccccc21	911946139	DDRUMKZEKVEYCJ-YTWAJWBKSA-N	302.403	1.155	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1ccc(O)c(O)c1O	916364150	DQEPIXOMKFBSTK-LLVKDONJSA-N	321.377	1.376	50	20	DDGD	
O=C(Cn1nnc2c1CCCC2)NNc1ccc2ccccc2n1	847668298	OTLYTDYUQGLHDO-UHFFFAOYSA-N	322.372	1.848	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2c(C)nc3sccn23)n1	916344551	BKHRBCPRQGBCNQ-UHFFFAOYSA-N	316.390	1.668	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)CCc1ccccc1)[C@@H]1CCOC1	743654901	ROJVSKDKGSHOCW-GXTWGEPZSA-N	305.378	1.375	50	20	DDGD	
CN1CCO[C@H](C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])C1	746128821	LIFHUUVXZOBAAL-NSHDSACASA-N	314.729	1.022	50	20	DDGD	
COCCOCc1ccc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	842561097	OJBRZLAKEQKRLT-CZUORRHYSA-N	320.389	1.725	50	20	DDGD	
CS(=O)(=O)c1ccc(C=NNC(=O)CC(F)(F)F)cc1	918153289	XTNPIWRFFZXBDL-UHFFFAOYSA-N	308.281	1.493	50	20	DDGD	
CCN(CC)C(=O)COc1ccc(NC(=O)NN)cc1Cl	841030672	YSCLAQPUWITRKX-UHFFFAOYSA-N	314.773	1.582	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCc2ncoc2C)cc1	845090741	JMYXQWWHUJFBJJ-UHFFFAOYSA-N	318.333	1.525	50	20	DDGD	
O=C(Cc1ccncc1)NN=Cc1cnn(-c2ccccc2)c1	747645267	CFYUEBUBPUDYHN-UHFFFAOYSA-N	305.341	1.960	50	20	DDGD	
CC(C)[C@@H](NC1CCOCC1)C(=O)NNc1cccc(C#N)c1	749261011	XFAPFJSCVSZWQI-MRXNPFEDSA-N	316.405	1.795	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(Cl)c(F)c1)N1C(=O)CCC1=O	748890695	LUJAGTNXBGIORX-ZETCQYMHSA-N	313.716	1.460	50	20	DDGD	
CCCNC(=O)NNC(=S)N[C@@H]1CCOc2ccccc21	741497763	ZWAJTZDZUNJRNX-LLVKDONJSA-N	308.407	1.599	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@H](NC(N)=O)C(C)(C)C	846641899	UALYTHVMRDZCPV-NSHDSACASA-N	312.345	1.360	50	20	DDGD	
Cc1occc1C=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1	841614707	PDZOMFWDVAMNQA-AGIUHOORSA-N	307.394	1.783	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2ccnc(F)c2)c1	748696677	PRFOIDOSJKPJDD-UHFFFAOYSA-N	319.292	1.313	50	20	DDGD	
Cc1ccc(C)c(SCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	843645072	QHHSWBPIRCGEJZ-STQMWFEESA-N	322.430	1.968	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C(COC)C1CC1	841644869	WZIRMFVPHCTULV-LBPRGKRZSA-N	323.393	1.432	50	20	DDGD	
O=C(NCCO[C@@H]1CCOC1)NNc1ccc(Cl)c(F)c1	927517173	IPDYBMDFBYMHKY-SNVBAGLBSA-N	317.748	1.911	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1ccc(N(C)C)cc1	843646159	VAFPSQJCEJPHCU-WFASDCNBSA-N	319.405	1.258	50	20	DDGD	
CSC(C)(C)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	857173592	GSYOBBURYAWBDC-UHFFFAOYSA-N	319.427	1.190	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccc2c(c1)COC2	757854032	VAYDJPPURNTPKQ-UHFFFAOYSA-N	301.306	1.215	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccc3c(c2)CCOC3)n1	857132791	OZRAJPYGMDOXNR-UHFFFAOYSA-N	313.361	1.372	50	20	DDGD	
Cn1cccc1C(=O)NN=C1C(=O)Nc2cccc(Cl)c21	750933492	IJQWWQJLSIWVCN-UHFFFAOYSA-N	302.721	1.765	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C[C@@H]1C[C@H]1c1ccccc1	755680094	YIBYLPLKCLUXOH-KBPBESRZSA-N	311.341	1.915	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2ccnn2CC2CC2)ccn1	853305612	ICMBIUKYJQBNTH-UHFFFAOYSA-N	312.377	1.518	50	20	DDGD	
C[C@]1(CNS(=O)(=O)c2cncc(F)c2)C[C@@H]1Br	856756554	QRJSLYOOLKJBOK-VHSXEESVSA-N	323.187	1.673	50	20	DDGD	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NNC(=O)c1cc[nH]n1	855359611	YIKXRNAOMVNOMZ-BZPMIXESSA-N	322.409	1.648	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1c(F)ccnc1F	855089949	NAHJMTMBWULYFE-UHFFFAOYSA-N	300.334	1.269	50	20	DDGD	
Cc1cnn(C)c1S(=O)(=O)NC[C@@]1(C)C[C@@H]1Br	856753530	SZJRQDIXBHXIKZ-WCBMZHEXSA-N	322.228	1.180	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)c1ccc(F)cc1O	750537528	NXJPJMKQDSNOSL-UHFFFAOYSA-N	320.276	1.077	50	20	DDGD	
CC1(CC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)CC1	757837339	RFASFLOBYXAGSD-UHFFFAOYSA-N	310.375	1.041	50	20	DDGD	
Cc1c(NC(=O)NC[C@@]2(C)C[C@@H]2Br)nnn1C	856876891	SRCCLOCUSMEFIX-OIBJUYFYSA-N	302.176	1.419	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=O)CC(F)(F)F)C1	857850949	CSYJDCVIIABNNQ-POYBYMJQSA-N	304.272	1.175	50	20	DDGD	
CCOC(=O)C[C@@H](C)CNC(=O)NNc1ncc(Cl)cn1	856882841	RHNBUEUSGFXRDK-MRVPVSSYSA-N	315.761	1.345	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2cccc(C(N)=O)c2)cc1	755542724	HLLUTFALUGBJDM-UHFFFAOYSA-N	311.341	1.623	50	20	DDGD	
COCc1nc(C(=O)NC[C@]2(C)C[C@@H]2Br)no1	857250145	SBUOPRAITIUPIM-WKEGUHRASA-N	304.144	1.119	50	20	DDGD	
C[C@@H]1CCC[C@H](OCC(=O)NNC(=S)N[C@H](C)C2CC2)C1	855101453	WCKDUTVTVAKQFZ-WZRBSPASSA-N	313.467	1.876	50	20	DDGD	
CCn1nccc1C=NNC(=O)COc1ccccc1OC	753690323	UJEIIAPCJNEGKI-UHFFFAOYSA-N	302.334	1.441	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CCC(C(=O)OC)CC1	754950955	WIVFFLQJYSVUQE-UHFFFAOYSA-N	311.382	1.127	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H]2C[C@@]23CCc2ccccc23)n[nH]1	869013883	JLXQBZXBVGCUNF-CRAIPNDOSA-N	324.384	1.312	50	20	DDGD	
CN1CCN(CC(=O)NNc2cccc(F)c2Cl)CC1	862509611	MOHNQBNJUPDJJT-UHFFFAOYSA-N	300.765	1.170	50	20	DDGD	
Cn1c(=NNC(=O)NOCC(F)(F)F)sc2ccccc21	765984657	YDIQOOHHDFFZPD-UHFFFAOYSA-N	320.296	1.849	50	20	DDGD	
CCc1ccc(C=NNC(=O)CNC(=O)c2cccnc2)s1	763191773	AMJIUVWBWUNSDS-UHFFFAOYSA-N	316.386	1.586	50	20	DDGD	
CCn1c(O)nc2ccc(C(=O)NN[C@@H](C)C(F)(F)F)cc21	862323248	SVTSAGZWXSFXGV-ZETCQYMHSA-N	316.283	1.947	50	20	DDGD	
CC1(C)C(=O)Nc2ccc(C(=O)NNC(=O)NCC3CC3)cc21	769146144	BUGPMGPFGXXWDQ-UHFFFAOYSA-N	316.361	1.270	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)n[nH]1	869015638	UTMOFZAFWAEYGI-OCCSQVGLSA-N	322.409	1.249	50	20	DDGD	
C[C@H]1CCC[C@@H]1CC(=O)OCC(=O)NNC(=O)c1ccccc1	769181159	OBFVDXXOALZKFM-GXTWGEPZSA-N	318.373	1.817	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1cc(C(C)(C)C)ccc1OC	765374749	YHGZGHJJQKXYFQ-UHFFFAOYSA-N	323.349	1.318	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1nnc(Cc2ccccc2)s1	769925097	HPMCHQHUVZRRSC-UHFFFAOYSA-N	321.362	1.912	50	20	DDGD	
Cn1nnc2cc(S(=O)(=O)NCC(Cl)Cl)ccc21	867469029	ZVLPSNNUYZMLCO-UHFFFAOYSA-N	309.178	1.050	50	20	DDGD	
CCn1nc(C)c(S(=O)(=O)NCC(Cl)Cl)c1C	867470058	HHQIHJKABUTVQV-UHFFFAOYSA-N	300.211	1.602	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cnn(CC3CC3)c2)cc1	864490755	LKTXCESRMYDXGD-UHFFFAOYSA-N	312.373	1.930	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2sc(Cl)nc2Cl)N1	863147387	DUHUVVQCHVHLCW-SCSAIBSYSA-N	307.162	1.179	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=S)Nc2ccccn2)on1	768577602	GFYSEGWJPUHFMK-UHFFFAOYSA-N	305.363	1.824	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C	765314510	KYAAVAXYAKUMNZ-HIFRSBDPSA-N	318.421	1.493	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@H]1C(=O)O)c1cccc(Cl)c1	872831947	RWTUZNUVDOOPAN-WDEREUQCSA-N	310.737	1.602	50	20	DDGD	
CO[C@@H]1COC[C@@H]1NC(=O)NNc1cccc(F)c1Cl	875663268	PLRWCWOYHKJTMB-VHSXEESVSA-N	303.721	1.519	50	20	DDGD	
Cn1nnc2c1C[C@@H](C(=O)NNc1cc(Cl)ccc1F)CC2	871271452	PFUBPFCBDDZEMU-QMMMGPOBSA-N	323.759	1.856	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874953143	ULBXZNFFXOOLQP-UHFFFAOYSA-N	324.450	1.743	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1	874194188	DJYYJEVGOFKDFO-VIFPVBQESA-N	305.256	1.089	50	20	DDGD	
COCCOc1ccc(C#N)cc1NC(=O)NN(C)CCOC	879180332	LDIWKZHXERONQG-UHFFFAOYSA-N	322.365	1.198	50	20	DDGD	
Cc1ncc(NC(=O)C(=O)NNc2ccc([N+](=O)[O-])cc2)s1	773643380	PUVMRWFTLUJEIM-UHFFFAOYSA-N	321.318	1.442	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNC(=O)c2nc3ccccc3s2)CCN1C	874914383	USXKPSHWDGKGHX-NXEZZACHSA-N	318.402	1.398	50	20	DDGD	
C[C@H]1CCCC[C@@H]1NCC(=O)NNC(=O)c1ccc(C#N)cc1	771790490	BPFRQBURYALDSV-WFASDCNBSA-N	314.389	1.488	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C1(C(C)(F)F)CC1	1118763088	JTOBXBZVXDUVBW-UHFFFAOYSA-N	312.316	1.821	50	20	DDGD	
O=C(C[C@H]1CCCO1)NNc1ccnc(Br)c1	771547886	VUGRBQTYGMFLGJ-SECBINFHSA-N	300.156	1.856	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2csc(N3CCOCC3)n2)CCO1	773194221	WQEANZHFXFFVBA-JTQLQIEISA-N	324.406	1.264	50	20	DDGD	
O=C(NNc1cnccn1)Nc1ccn(CCc2ccncc2)n1	770039230	RDUHAGCRMBPZED-UHFFFAOYSA-N	324.348	1.459	50	20	DDGD	
CC1(C)[C@@H]2CC[C@@]1(C(=O)NNC(=O)[C@H]1CCCCO1)C(=O)C2	1123799606	XIJZCQXSKZZOCM-UVWXRNBGSA-N	308.378	1.098	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)Nc1ccc2ccccc2n1	880487247	UMTMXSXTWHAPGA-UHFFFAOYSA-N	314.345	1.814	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ccc(F)cc2Cl)CCC1	885137418	XEGMEKPLQUHGBR-UHFFFAOYSA-N	320.773	1.890	50	20	DDGD	
O=C(O)c1cc(C=NNC(=O)c2ccccc2F)ccc1O	777421367	LQXAZSROCPIDKL-UHFFFAOYSA-N	302.261	1.993	50	20	DDGD	
CC(=NNC(=O)c1ccncc1)c1cc(C(=O)O)c(C)nc1C	776722229	OMNYPHMMRABUOF-UHFFFAOYSA-N	312.329	1.946	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(O)cs1	772112976	GJQFYFUTLDTSPM-MRVPVSSYSA-N	314.363	1.193	50	20	DDGD	
C[C@@H]1CCc2c(C(=O)NNC(=O)c3cccnn3)csc2C1	882061331	DHAGEJWUSGUGPN-SECBINFHSA-N	316.386	1.738	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cnn(-c2cccnc2)c1	771646850	ASPJHPRHZKJOKS-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H](C)C2)cc1OC	776285865	RWKNQYILTUDPSB-CMPLNLGQSA-N	322.361	1.280	50	20	DDGD	
NC(=O)N1CCC[C@H]1C(=O)NNc1ccc(Cl)cc1F	885107697	NUQPCDAFSWZXQJ-JTQLQIEISA-N	300.721	1.465	50	20	DDGD	
CCNC(=O)CC(=O)NNc1ccc(OCC(F)(F)F)cc1	780992532	ZRHOWWWJNJVYIU-UHFFFAOYSA-N	319.283	1.597	50	20	DDGD	
O=C(CCCCc1cccc(O)c1)NNC(=O)NCC1CC1	1123511388	BDZVGASIYUNMNC-UHFFFAOYSA-N	305.378	1.845	50	20	DDGD	
O=C(NNc1cccnn1)C(=O)Nc1ccc(F)c(Cl)c1	784858668	SWNAVFHDJKPIAB-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
CC(C)(O)CCC(=O)NNC(=O)c1ccc2ccccc2n1	786590067	STSJCMRWZMALKK-UHFFFAOYSA-N	301.346	1.547	50	20	DDGD	
Cn1nc([C@@H]2CCCO2)cc1NC(=O)NNC(=O)c1ccc[nH]1	788723754	HJNQSLSHPPIDDG-NSHDSACASA-N	318.337	1.066	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2)C1CCC1	785411384	MVMBVGXPQUHJAX-ZYUZMQFOSA-N	306.284	1.290	50	20	DDGD	
CNC(=O)c1n[nH]c(C2CCN(C[C@@H]3[C@H](C)[C@@H]3Cl)CC2)n1	895041644	KUOBMZREMQVCRZ-GDPRMGEGSA-N	311.817	1.217	50	20	DDGD	
O=C(CCc1ccc(O)nc1)NNc1ncccc1[N+](=O)[O-]	787899254	FADHTLMEOYLVQZ-UHFFFAOYSA-N	303.278	1.166	50	20	DDGD	
Nc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)CCc1ccco1	786851787	RBYFWKFDSXRFPI-UHFFFAOYSA-N	318.289	1.164	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1ccccc1O[C@@H](C)C(=O)OC	899368775	MLGFSPKDVBDIOU-KWJWQAOWSA-N	323.370	1.926	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C(C)(C)C1CCC(O)CC1	788267477	SPKZDGIHWZLXGU-UHFFFAOYSA-N	307.394	1.363	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)[C@@H]1CCC(F)(F)C1	795084909	IPXOIVLHIGSDLI-LLVKDONJSA-N	312.316	1.908	50	20	DDGD	
C[C@@H]1C[C@H](c2ccccc2)N(CC(=O)NNC(=O)C2CC2)C1	796621657	MJGDOKCOYFZMQZ-IUODEOHRSA-N	301.390	1.627	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1CCC12CCOCC2	799873805	YKGBTQLPCIJULU-ZDUSSCGKSA-N	309.410	1.018	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)C(C)(C)C)c(F)c1	790393981	ODLHBJHAIMJAHQ-UHFFFAOYSA-N	304.343	1.190	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)COc2ccc(C)c(C)c2)CC1	799518781	KVEIYLZXNOLUQO-UHFFFAOYSA-N	320.389	1.646	50	20	DDGD	
Cn1cncc1CCC(=O)NNc1ncnc2ccsc12	793683701	SXMAIBOPRAMGDG-UHFFFAOYSA-N	302.363	1.501	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCC=CO2)cc1C	798308483	BIUWYFADNAUHHV-CYBMUJFWSA-N	317.345	1.082	50	20	DDGD	
COc1cc(C)cnc1C(=O)NNC(=S)Nc1ccccn1	792606379	MONPFUGSHJJOGU-UHFFFAOYSA-N	317.374	1.425	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1CC[C@H](C)C[C@@H]1n1cncn1	794485833	LTGFOBIYFKTVLV-ZFWWWQNUSA-N	320.441	1.843	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc2oc(C)nc12	795692399	HVWIWSMEIMHJPN-QMMMGPOBSA-N	319.317	1.239	50	20	DDGD	
COC1(CC(=O)NNc2ccccc2S(C)(=O)=O)CCC1	790787093	KKEIMZOZDLANHB-UHFFFAOYSA-N	312.391	1.492	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cccc(Cl)c1O	791257508	LGVCRYLIRQQEPA-UHFFFAOYSA-N	303.709	1.845	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1cccc(C(=O)OC)c1	1319641328	YXLOTMOBTXFLMQ-UVTDQMKNSA-N	302.330	1.533	50	20	DDGD	
CC[C@@H]1CCN(C(=O)C(=O)NC[C@@]2(C)C[C@H]2Br)C1	1328548720	VENSHBPFCWHRHH-GIPNMCIBSA-N	317.227	1.535	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1cc(-n2cccc2)ccc1F	1321395444	YJEWIWYKNLZQTQ-UHFFFAOYSA-N	319.340	1.331	50	20	DDGD	
C=C[C@H](COC)NC(=O)NNC(=O)c1cccc2ncccc12	1320425732	BGZBQQAZQMYDID-LLVKDONJSA-N	314.345	1.380	50	20	DDGD	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)S(N)(=O)=O	1325172281	DKSZVBZZHMSMDY-GHXNOFRVSA-N	318.310	1.798	50	20	DDGD	
CN(C)[C@H]1CCCC[C@H]1NC(=O)NNC(=O)OC(C)(C)C	1321745017	XAPRSDNDZDFDJQ-MNOVXSKESA-N	300.403	1.598	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)Cc1cc(C(C)(C)C)n[nH]1	1324746163	NPHGDKGIROPHGX-SNVBAGLBSA-N	309.414	1.085	50	20	DDGD	
Cc1cccc(C(C)(C)CNC(=O)NNC(=O)c2cn[nH]c2)c1	1328701695	FEIMTGXDAJVUTM-UHFFFAOYSA-N	315.377	1.640	50	20	DDGD	
CCC[C@H]1CCCC[C@@H]1CNC(=O)NNC(=O)C1CCNCC1	1325367524	YNWADUJCXTVPHY-DZGCQCFKSA-N	324.469	1.923	50	20	DDGD	
CCOc1nccc(C)c1C(=O)NNC(=O)[C@@H]1CCCCO1	1326586914	FEOYYWDMDKTXCX-NSHDSACASA-N	307.350	1.119	50	20	DDGD	
CN(CC(=O)N1CCOCC1)C(=O)c1cccc(CCl)c1	1338731885	LORLOLQVZZFXAX-UHFFFAOYSA-N	310.781	1.356	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H](c1ccccc1)C1CCCC1	1339818769	NTYVNLPGCLMCFL-ZDUSSCGKSA-N	319.361	1.421	50	20	DDGD	
COC(=O)[C@@H]1CN(C)CCN(C(=O)c2cccc(CCl)c2)C1	1336522640	UMECREKMRXVUPG-CQSZACIVSA-N	324.808	1.602	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1Cc2ccccc2C2(CCC2)C1	1348709021	JLCJWUYCSSDDQY-UHFFFAOYSA-N	321.185	1.444	50	20	DDGD	
COC1(OC)CC(CNC(=O)NNc2nc(C)cc(C)n2)C1	1514696341	OMPAQSQXRKJPBI-UHFFFAOYSA-N	309.370	1.119	50	20	DDGD	
Cc1cc(C(F)F)n2ncc(C(=O)NNC(=O)C3CCC3)c2n1	1527695370	XRRSZIQWLXFQPS-UHFFFAOYSA-N	323.303	1.536	50	20	DDGD	
O=C(O)c1ccc(O)cc1NS(=O)(=O)CCCCCl	1602385241	AQIRBDQDURHNEQ-UHFFFAOYSA-N	307.755	1.851	50	20	DDGD	
Cn1c(C=NNC(=O)NCc2ccccc2)ccc1C(=O)O	1600912292	PHVFZKIPTDQWBW-UHFFFAOYSA-N	300.318	1.557	50	20	DDGD	
Cc1ncc(C)c(NC(=O)NNc2ccc(CC(=O)O)cc2)n1	1600735568	USBTUOSQXANRKD-UHFFFAOYSA-N	315.333	1.869	50	20	DDGD	
O=C(O)CNC(=O)NN=C1CCCOc2cc(Cl)ccc21	1602071261	KRVDVYIAICXUEF-UHFFFAOYSA-N	311.725	1.601	50	20	DDGD	
Cc1cc(CNC(=O)NNc2cccc(C(=O)O)c2F)ncn1	1607642740	ANUXTOLPNSZTII-UHFFFAOYSA-N	319.296	1.449	50	20	DDGD	
O=C(NNc1ncccc1Cl)Nc1cc(C(=O)O)ccn1	1608483923	FEJUWTKBKRDYLN-UHFFFAOYSA-N	307.697	1.977	50	20	DDGD	
CN(C)[C@H]1CCC[C@H](C(=O)NNc2cccc(C(=O)O)c2)C1	1606018567	AJQQOCBRNRQJAV-FZMZJTMJSA-N	305.378	1.948	50	20	DDGD	
C[C@@]1(COC(=O)Cn2cc(C(=O)O)cn2)C[C@@H]1Br	1604582761	KPUXFOATWNCTOP-KWQFWETISA-N	317.139	1.298	50	20	DDGD	
COc1ccc(-c2nn[nH]n2)cc1NC(=O)NN(C)C1CC1	1605248499	PVVXEFUTXFFGLI-UHFFFAOYSA-N	303.326	1.006	50	20	DDGD	
O=C(NN=C[C@@H]1C[C@@H]1c1ccccc1)[C@H]1CN2CCC[C@H]2CO1	1549311728	BOMODVFZYUZJCA-MWDXBVQZSA-N	313.401	1.755	50	20	DDGD	
O=C(O)c1ccc2c(c1)CN(C(=O)NNC(=O)C1CCCC1)C2	1610842993	PEWKMZWKZSNFFA-UHFFFAOYSA-N	317.345	1.631	50	20	DDGD	
CC(CCc1ccco1)=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549315978	POZKZGGKLZJUDU-DZGCQCFKSA-N	305.378	1.568	50	20	DDGD	
CC(C)c1nocc1C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1574441620	PIFWOKPKBZVFIO-UHFFFAOYSA-N	314.309	1.130	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1ccc(N)cn1	1575846846	BYFROBROGWLDLO-UHFFFAOYSA-N	306.757	1.988	50	20	DDGD	
C=C(CBr)COC(=O)C1(CC(=O)O)CCOCC1	1588444794	RYSRUGBJVNOQNN-UHFFFAOYSA-N	321.167	1.752	50	20	DDGD	
N[C@H](Cc1ccccn1)C(=O)NNc1ccccc1[N+](=O)[O-]	1580409985	RVQJMZPPFFSOTD-LLVKDONJSA-N	301.306	1.003	50	20	DDGD	
C=CC[C@H](NNC(=O)c1cc(Br)c[nH]1)C(=O)O	1588749320	HUXGIRRQETZPBI-ZETCQYMHSA-N	302.128	1.041	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1nccn1C)C2	1845163950	CWIXEGCORUJIEO-LLVKDONJSA-N	324.812	1.255	50	20	DDGD	
N#Cc1ccc(NNC(=O)Nc2ccccc2CC(=O)O)nc1	1594624099	PUTYURWERWOXLC-UHFFFAOYSA-N	311.301	1.729	50	20	DDGD	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ccc(C)c(C(=O)O)c1	1598895691	JLUODFFGCLJLLR-WDEREUQCSA-N	306.318	1.336	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1cscc1-c1nn[nH]n1	1593163804	JHWLHSKARXRJAN-UHFFFAOYSA-N	322.741	1.129	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@@]1(C(=O)O)CCCO1	1594332558	ZKWLINMSLZIEMT-MRXNPFEDSA-N	315.329	1.620	50	20	DDGD	
O=C(NN=Cc1cccc(C(=O)O)c1Cl)c1ccc(O)nc1	1776094118	BWYOAGPTKNPGNQ-UHFFFAOYSA-N	319.704	1.903	50	20	DDGD	
CCC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COC	1795596753	OHUKXDQSRJTARA-RNJOBUHISA-N	316.829	1.679	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccccn2)cc1[N+](=O)[O-]	17328524	FPZJMDNMJYNLJK-UHFFFAOYSA-N	300.274	1.373	50	20	DDGD	
N[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NNc1ncnc2ccsc12	151492641	KWJYYCWRTREUMJ-IFFSRLJSSA-N	303.391	1.508	50	20	DDGD	
O=C(NNC(=O)c1cc(OCC(F)F)ccn1)c1ccncc1	155197582	ZDPPEIHIAXXGJL-UHFFFAOYSA-N	322.271	1.195	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)nc1	157654355	VZSWGFQQZGLSRE-BNOWGMLFSA-N	318.377	1.674	50	20	DDGD	
COc1ccc(NNC(=O)C[C@@H]2C(=O)Nc3ccccc32)nc1	159232810	YSTWSNMGHKDQGE-LBPRGKRZSA-N	312.329	1.659	50	20	DDGD	
CN(NS(=O)(=O)c1c[nH]nc1Cl)C(=O)OC(C)(C)C	497038183	QGZYSUFTEZSGIR-UHFFFAOYSA-N	310.763	1.123	50	20	DDGD	
CC[C@H](NS(=O)(=O)c1ccc(CCCl)cc1)[C@@H](C)O	387363567	WPJFGPNLEDGEKR-MFKMUULPSA-N	305.827	1.906	50	20	DDGD	
Cn1nncc1CNS(=O)(=O)c1ccc(CCl)cc1	394918644	KUYBUCZSYVVEGH-UHFFFAOYSA-N	300.771	1.032	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NC[C@]1(C)C[C@H]1Br	856951514	XKQOCRJFFRLYHS-HQJQHLMTSA-N	322.203	1.899	50	20	DDGD	
COc1ccc(C(=O)NNS(=O)(=O)c2ccccc2F)cc1	7518207	WBVSJHWFKKSFQO-UHFFFAOYSA-N	324.333	1.458	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N[C@@H]1CCC[C@H]1C	104817969	YWGYJYJMXMGQCZ-ZYHUDNBSSA-N	315.377	1.775	50	20	DDGD	
Cc1cnn(CCC(=O)NNC(=O)c2ccc(Cl)cc2F)c1	175826385	FHWFIMGFFXXVEI-UHFFFAOYSA-N	324.743	1.835	50	20	DDGD	
O=C(NNc1ccc(F)cc1)c1cnc2sccn2c1=O	53676225	KWTHEPXDCDSKQG-UHFFFAOYSA-N	304.306	1.652	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccc(NC=O)cc2)cc1	174403062	MDEDQAPYKQAGEB-UHFFFAOYSA-N	311.341	1.892	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H](C)OCc2ccccc2)n1	25124310	QNEQJJXYDOMXLM-NSHDSACASA-N	302.334	1.534	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2ccc([S@](C)=O)cc2)n1	179880423	INELXNKROMJUQQ-QFIPXVFZSA-N	319.390	1.979	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	1347903568	IQBSBEDFIYEERG-SSDOTTSWSA-N	314.729	1.606	50	20	DDGD	
CC(C)[C@H]1OCCC[C@@H]1CNC(=O)NNC(=O)c1ccc[nH]1	176779750	INRDZKJPPQUZLS-DGCLKSJQSA-N	308.382	1.410	50	20	DDGD	
C[C@@]1(COC(=O)c2ccoc2CC(N)=O)C[C@@H]1Br	1344049435	PMIXYTOQACFTMQ-CABZTGNLSA-N	316.151	1.638	50	20	DDGD	
Cc1ccc(-c2nc(CC(=O)NNC(=O)NC3CC3)cs2)o1	64427716	YJPSILUOGBIGHY-UHFFFAOYSA-N	320.374	1.747	50	20	DDGD	
CSSCCNC(=O)CNC(=O)c1cc(Cl)ccn1	1346645003	GXGIWLBAUHWXKM-UHFFFAOYSA-N	319.839	1.592	50	20	DDGD	
CC(C)NC(=O)NNC(=O)Cc1csc(-c2ccccn2)n1	63269805	QAFNHAYQONYNRC-UHFFFAOYSA-N	319.390	1.486	50	20	DDGD	
Cc1cc(NNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)ncn1	172274156	JVUCJEWIEPVDIJ-UHFFFAOYSA-N	319.325	1.040	50	20	DDGD	
C[C@H]1CCCN1C(=O)NNC(=O)c1cc(Br)c[nH]1	174594726	YRBRDSGZJNVQRV-ZETCQYMHSA-N	315.171	1.616	50	20	DDGD	
N#CCc1cccc(C(=O)NNC(=O)Cc2ccccc2F)c1	66784938	OPUCCTGXDFCPOV-UHFFFAOYSA-N	311.316	1.895	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2cccc3cccnc23)CCO1	64630883	LWKDKWPXFOOINN-NSHDSACASA-N	314.345	1.310	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccccc2O)cc([N+](=O)[O-])c1	123083244	PWSKNPNLZWAYPD-UHFFFAOYSA-N	315.285	1.684	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)N[C@H]1CCCOCC1	181800428	CODASZDLZLOWTR-ZDUSSCGKSA-N	309.341	1.268	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1F	180966220	CONGRJWGJXQDIO-UHFFFAOYSA-N	315.732	1.611	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)NC(=O)c2cccs2)nc(C)n1	128586200	FYXKFWGZYAMYTK-SECBINFHSA-N	319.390	1.417	50	20	DDGD	
C[C@@H](OC[C@H]1CCCO1)C(=O)NNC(=O)Cc1ccc(F)cc1	70780143	FVRIDBHLYOOKQG-BXUZGUMPSA-N	324.352	1.100	50	20	DDGD	
CCCOc1cccc(NC(=O)NNC(=O)Cc2cc[nH]n2)c1	183592197	MTTLVMVZKFJTGH-UHFFFAOYSA-N	317.349	1.594	50	20	DDGD	
CC[C@H](C)NC(=O)[C@H](C)NC(=O)/C(C#N)=C\c1ccc(O)cc1	188309082	QZGNCPJGWUEAKT-MFRBPKMGSA-N	315.373	1.719	50	20	DDGD	
CC[C@H](C)[C@H](C)C(=O)NNC(=O)COc1ccc(C#N)cc1	183378159	INELRZCOLBHZKS-RYUDHWBXSA-N	303.362	1.767	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2)cc1F	181984626	NMQDNHAEYVPXOU-UHFFFAOYSA-N	315.304	1.534	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)Cc2ccncc2)ccc1F	184928545	VHXLSALVACUTMW-UHFFFAOYSA-N	302.309	1.925	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(SC(F)F)cc1	32260427	MFGUGKBYWFNMMX-JTQLQIEISA-N	316.329	1.941	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)Nc1ccc(F)nc1	183238287	WETGPKIYOZUBCA-UHFFFAOYSA-N	318.308	1.590	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1ccoc1C	42084532	QHNAQJXGDZTYFT-UHFFFAOYSA-N	302.330	1.990	50	20	DDGD	
C[C@H]1C[C@H](C)CN(CCCNC(=O)NNc2cccnn2)C1	77347847	SZLGIULXBLUUNU-STQMWFEESA-N	306.414	1.471	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)C(C)(C)C)c(C)c1F	181130060	IUHBJHXWRILXAJ-UHFFFAOYSA-N	318.370	1.498	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)CNc2ccc(C)cc2)cn1	180325196	GRJOXFZDAFDRKH-UHFFFAOYSA-N	315.377	1.475	50	20	DDGD	
O=C(Cc1n[nH]c2ccccc12)NNC(=O)NC1CCCCC1	195173194	LDPIOEBXDNWAMM-UHFFFAOYSA-N	315.377	1.769	50	20	DDGD	
CCOc1ncccc1C(=O)NNC(=O)NC1CCCCC1	192965673	SPUBOBIHHMDPKZ-UHFFFAOYSA-N	306.366	1.757	50	20	DDGD	
CC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1	192863570	KIFKZTZMHUSYQD-UHFFFAOYSA-N	306.322	1.366	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2CCCc3c(O)cccc32)cn1	190450991	FDUDVYKXJOHDEW-CYBMUJFWSA-N	314.345	1.007	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1cnn(-c2ccccc2)c1	195319258	VITWCQVWIZBDTB-RIYZIHGNSA-N	302.359	1.628	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccncc1F	130727886	KTUZDKPRTCNNAJ-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C[C@@H]1CCCCO1	86990497	ZPCSCUOELHOEJI-RYUDHWBXSA-N	324.352	1.700	50	20	DDGD	
O=C(COC1CCCCC1)NNC(=O)Cc1ccc(F)cc1	44978073	JNGNJKKNVQUPQH-UHFFFAOYSA-N	308.353	1.865	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@H](C)N2CCC[C@H](C)C2)n1	46368304	OIJXVKCRLPKDKL-FZMZJTMJSA-N	320.441	1.840	50	20	DDGD	
C=CCN1CCC(NC(=O)NNC(=O)c2ccc(C)o2)CC1	84159920	LLUNCBXNTHRWPN-UHFFFAOYSA-N	306.366	1.182	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1ccccc1OC(F)(F)F	48411686	FBVWPRVGIZPAKH-UHFFFAOYSA-N	314.241	1.135	50	20	DDGD	
CN(C)C(=O)CNC(=O)NNc1ccc(Cl)cc1Cl	43713961	DBLDWBXCLKVVPL-UHFFFAOYSA-N	305.165	1.708	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)c1ccc2c(c1)OCCO2)C1CC1	193774167	ZSUCDKGPTUISEB-CSKARUKUSA-N	302.330	1.575	50	20	DDGD	
CCOc1cccc(NC(=O)C(=O)NNc2cc(C)ccn2)c1	190051511	PWMJSOCJFFDPFL-UHFFFAOYSA-N	314.345	1.871	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C\c1ccc(O)c([N+](=O)[O-])c1	192567396	SKUCPAZFGVGYMP-BVBCSLMJSA-N	305.290	1.358	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNc2cnc3ccccc3n2)C1	193518083	PJYWFASYBVXTEK-LLVKDONJSA-N	313.361	1.331	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CNC(=O)NC2CCCCC2)n1	194318651	CPKFDYUMECPUQQ-UHFFFAOYSA-N	320.397	1.168	50	20	DDGD	
C[C@@H]1CCC[C@H](C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)C1	247092767	URZIWHLGNKNFRA-AGIUHOORSA-N	302.440	1.305	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C2(C)CCC2)cc(OC)c1OC	267421860	KZOYEIOQLGGBCY-UHFFFAOYSA-N	322.361	1.664	50	20	DDGD	
CC(=O)NCCCCCC(=O)NNC(=O)Cc1ccccc1F	264490278	BEAGNMITJLNFCI-UHFFFAOYSA-N	323.368	1.212	50	20	DDGD	
O=C(CNCC(F)(F)F)NNc1cc(F)c(F)cc1F	265171335	JCMJPVMSDBNSTK-UHFFFAOYSA-N	301.190	1.699	50	20	DDGD	
CCC(CC)CNC(=O)NNC(=O)[C@H]1COc2ccccc2O1	264291589	GZTSIGBTIUNWPS-CQSZACIVSA-N	321.377	1.593	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNc1cccc([N+](=O)[O-])c1	269596659	GKDPKXHSJRJWKC-UHFFFAOYSA-N	324.337	1.953	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCCOc1cccc(NC(C)=O)c1	264404578	XBNGXMOAYCNACB-ACCUITESSA-N	317.345	1.584	50	20	DDGD	
Cc1cccc(C[C@@H](CO)NS(=O)(=O)CBr)c1	276048244	HBNSCCRZZJHZIA-NSHDSACASA-N	322.224	1.170	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNc2ccc(C(F)(F)F)nn2)O1	270060967	QAABJEHEQNRVLV-HTQZYQBOSA-N	304.272	1.896	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C1(C#N)CCC1	278499195	HYCBXZOUEJCTMF-SNVBAGLBSA-N	321.764	1.949	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2cc3ccccc3s2)CC1	278741321	WAGXOEDNYALXIP-UHFFFAOYSA-N	318.402	1.503	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCCN(C)CC(F)(F)F	276741322	YCODFUCWMQJXDW-UHFFFAOYSA-N	319.331	1.900	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)COc1ccc(F)cc1	279726900	VNCISWYFUBKBAO-QWRGUYRKSA-N	322.336	1.357	50	20	DDGD	
Cc1cc(C#N)ccc1S(=O)(=O)NNC(=O)OC(C)(C)C	274037368	CPMYMGAPSBLPDO-UHFFFAOYSA-N	311.363	1.585	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNC(=O)CCc1ccccc1O	270811508	YEDPWBLRXMUNSU-UHFFFAOYSA-N	322.361	1.062	50	20	DDGD	
C=C(C)[C@@H](CC(=O)NNC(=O)Cc1ccccc1OC)OCC	270137523	HXSPEJAGFJFVMX-OAHLLOKOSA-N	320.389	1.756	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNc1nc(-c2ccncc2)no1	289646039	LJLNVSHASWEKQP-SECBINFHSA-N	319.321	1.164	50	20	DDGD	
COC(=O)N(C)NC(=O)/C=C/c1ccc(N2CCCC2=O)cc1	286393669	OUCQBMOWRDCNIK-JXMROGBWSA-N	317.345	1.556	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)/C=C/c1ccsc1	287746620	HYEIMJHUXXKCCG-VOTSOKGWSA-N	312.391	1.698	50	20	DDGD	
Cn1cc2c(n1)CCC[C@@H]2C(=O)NNC(=O)NC1CCCCC1	373842322	ATBKXUTXAYKMAA-LBPRGKRZSA-N	319.409	1.503	50	20	DDGD	
O=C(CCC1CCCC1)NCC(=O)NNc1ncccc1F	286074613	SXKUMKOLUABLHA-UHFFFAOYSA-N	308.357	1.750	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(C(C)C)oc1C	285770544	SCIWFVBIXVSAKA-UHFFFAOYSA-N	323.393	1.777	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1	286495984	WDXLRARAFQAMRY-UHFFFAOYSA-N	322.289	1.026	50	20	DDGD	
COCCN(C)NC(=O)CSCc1cn2cc(C)ccc2n1	288384938	JFOGEHZZBSHOIC-UHFFFAOYSA-N	322.434	1.485	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)Nc1ccccc1C)c1cnn(C)c1	281186347	JZDBQRMOTRQHGE-CYBMUJFWSA-N	317.349	1.269	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NC(C2CCC2)C2CCC2)cn1	805856764	ATEBHSFKSBFHLK-UHFFFAOYSA-N	305.382	1.333	50	20	DDGD	
O=C(Cc1cccc(Br)c1)NNC(=O)NC1CC1	299618724	DKJNOZSUCPPSKM-UHFFFAOYSA-N	312.167	1.484	50	20	DDGD	
C[C@](O)(CC(=O)NNC(=O)[C@H]1CCCCO1)c1ccccc1	295771346	RJGKRBJVRYDDNZ-CJNGLKHVSA-N	306.362	1.001	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H](C)Cn2cccn2)cc1	298693796	FNGNLYXUFNAEHS-LBPRGKRZSA-N	315.377	1.478	50	20	DDGD	
CCSc1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)cn1	295588975	OXEMLLLJGYGRLS-LLVKDONJSA-N	309.391	1.524	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)c1c[nH]c2ccccc12)C1CC1	297060030	XYTHXJYMEMFLTH-CQSZACIVSA-N	316.361	1.537	50	20	DDGD	
CC(C)c1nnc(CNC(=O)NNc2cccc([N+](=O)[O-])c2)[nH]1	298036115	HFGXMKUFUZIBRX-UHFFFAOYSA-N	319.325	1.663	50	20	DDGD	
CN1CC[C@@]2(CCN(C(=O)NNC(=O)c3ccccc3)C2)C1	292412684	JSNXVTZSHBGWHR-MRXNPFEDSA-N	302.378	1.069	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)NNc1ncccc1F	804220320	VCVNWXSTECKZGZ-LLVKDONJSA-N	308.357	1.701	50	20	DDGD	
Cn1ncc(C(=O)NNc2cccc(F)n2)c1-n1cccc1	804770434	BGECKTMPDYLMOB-UHFFFAOYSA-N	300.297	1.502	50	20	DDGD	
Cc1cccc(C)c1OCCC(=O)NNC(=O)N1CCOCC1	299405775	XMNKNDFXAWUVGW-UHFFFAOYSA-N	321.377	1.145	50	20	DDGD	
C[C@@](O)(CCc1ccccc1)C(=O)NNC(=O)c1ccccn1	801101719	LDGZIZIHQQGPQR-QGZVFWFLSA-N	313.357	1.226	50	20	DDGD	
COc1cccc(OC)c1CC(=O)NNc1cccc(F)n1	804769059	FGUCFYCMRFRNJW-UHFFFAOYSA-N	305.309	1.924	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1ccc(-n2ccnc2)cc1	818284191	LIXRVSUJWVUUKO-UHFFFAOYSA-N	306.329	1.816	50	20	DDGD	
CN(NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CC1	819649971	CEQKFQXSMKSVOO-UHFFFAOYSA-N	301.306	1.520	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccnnc1	817693259	LRJONZRZULOBHZ-FRRDWIJNSA-N	302.378	1.844	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1COCCN1C1CCCC1	816629325	HXSUIQJTXLGVOH-NSHDSACASA-N	309.237	1.892	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1CCC[C@H](OC)C1	814409711	SZOPUNTXBXQANV-NEPJUHHUSA-N	306.362	1.661	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccc(Cl)cc1)c1ccccn1	813363448	XYESNZMBMGXNDK-GFCCVEGCSA-N	305.721	1.230	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)s1	819940177	RCSDPEPKHOUJHN-UHFFFAOYSA-N	310.339	1.098	50	20	DDGD	
COCC(=NNC(=O)c1cnn(C)c1)c1ccc(Cl)cc1	814852244	PMCUNOHHKWNVPB-UHFFFAOYSA-N	306.753	1.854	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCC[C@]1(O)C[C@H]2CC[C@H]1C2	813789143	KJFMWMHWHMMCHQ-MKBNYLNASA-N	311.426	1.694	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)c1c(C)nc2ccccn12	812453467	YQMBGANUUTYTSZ-GHMZBOCLSA-N	318.377	1.322	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc3oc(S)nc3c2)n1	816860502	NNMNWVQDDQHCLD-UHFFFAOYSA-N	317.330	1.672	50	20	DDGD	
O=C(NN=Cc1ccc(O)c(Br)c1)c1cnccn1	818285464	GTDIYTXGJXGTGV-UHFFFAOYSA-N	321.134	1.709	50	20	DDGD	
O=C(CCc1cc2ccccc2nc1O)NNC(=O)CC1CC1	819122901	LFLVAJOYZBWQQE-UHFFFAOYSA-N	313.357	1.821	50	20	DDGD	
COc1ccc(C=NNC(=O)Cc2cc[nH]n2)c(OC)c1OC	814954041	SWUPDLNYKPNDLS-UHFFFAOYSA-N	318.333	1.128	50	20	DDGD	
CC1(C)COC(=O)[C@H]1NC(=O)[C@H](Br)C(C)(C)C	819779176	UHERPLAGTBXRIK-JGVFFNPUSA-N	306.200	1.864	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccc3nc(O)[nH]c3c2)c1	728825120	HEEHNYJTLANDGE-UHFFFAOYSA-N	321.296	1.215	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)Cc1cc(Br)ccc1F	823946720	NNWZJANQXRCCRO-QMMMGPOBSA-N	319.174	1.475	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(OCCOC)cc1Cl	823874346	RNEYICDOWMZRRW-UHFFFAOYSA-N	316.785	1.324	50	20	DDGD	
Cc1ccncc1/C=C/C(=O)NNc1cc(Cl)nc(N)n1	492686845	LRJOPGKJYNEIPJ-NSCUHMNNSA-N	304.741	1.572	50	20	DDGD	
Cn1ncc2c1CCCC2=NNC(=O)CNC(=O)OC(C)(C)C	494540036	QRQQVBYGJPUZED-UHFFFAOYSA-N	321.381	1.101	50	20	DDGD	
CC(C)(C=NNC(=O)[C@H]1CCCCO1)NC(=O)OC(C)(C)C	495924386	VPSFOJZITGQLMW-LLVKDONJSA-N	313.398	1.961	50	20	DDGD	
CC(C)C(=O)NNC(=O)C1(NC(=O)OC(C)(C)C)CCCC1	727114337	PGTJCCXICIECBW-UHFFFAOYSA-N	313.398	1.627	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc(F)cc1Cl	495327294	XPQLPWWGWQSMDA-UHFFFAOYSA-N	303.677	1.195	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC1CCN(C(=O)c2ccoc2)CC1	490781737	CUXAKXTVPHIIRL-ACCUITESSA-N	317.345	1.444	50	20	DDGD	
CNC(=O)C1(C(=O)NNC(=O)CCCc2ccccc2)CCC1	729969598	JRLYWRSODJRIEJ-UHFFFAOYSA-N	317.389	1.073	50	20	DDGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccn(C)n2)ccc1C#N	491135268	SQTBZYFNSMRXTA-NTUHNPAUSA-N	307.313	1.846	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=O)Cc2cccnc2)c(O)c1	728981598	DPXFDEUPESTHBJ-UHFFFAOYSA-N	313.357	1.914	50	20	DDGD	
OB(O)c1ccc(CNCCCCCN2CCCCC2)c(F)c1	585021656	MXKUFNICYCSRPP-UHFFFAOYSA-N	322.233	1.251	50	20	DDGD	
Cc1cc(C(=O)NN=C2CCC[C@H]2NC(=O)OC(C)(C)C)n[nH]1	494695916	ZINGKLANGVOAHI-SNVBAGLBSA-N	321.381	1.881	50	20	DDGD	
CC(C)NC(=O)CCCC(=O)NN(C)C(=O)OC(C)(C)C	496460278	MUFVTRXCFXOTEY-UHFFFAOYSA-N	301.387	1.579	50	20	DDGD	
OB(O)[C@H]1CCN(c2ncc(Br)cc2Cl)C1	585073480	LWOPKGUBVYGMJY-LURJTMIESA-N	305.368	1.551	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(O)nc2ccc(F)cc12	737819816	YCWXEELEFYOTJP-UHFFFAOYSA-N	306.297	1.434	50	20	DDGD	
C[C@H](c1ccccc1)N(CC1CC1)C(=O)c1cccc(B(O)O)c1	584937561	VSFIQXMRZMSXIJ-CQSZACIVSA-N	323.201	1.980	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NC[C@H]2CN(C)CCN2C)c(C)c1	732475069	SHDLGRAUJFAHFI-HNNXBMFYSA-N	319.453	1.484	50	20	DDGD	
CCN(CCO)NC(=O)c1cccc(Nc2nccs2)c1	823376764	IWKCJKSZARYCSD-UHFFFAOYSA-N	306.391	1.846	50	20	DDGD	
Cc1cc(C=NNC(=O)CCCNC(=O)C(C)(C)C)cnc1F	901263138	SPDJZWFDOOIXSU-UHFFFAOYSA-N	322.384	1.922	50	20	DDGD	
O=C(CC(F)(F)F)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	826403753	BMOUJXSSDBJHMQ-UHFFFAOYSA-N	321.650	1.311	50	20	DDGD	
CN(C(C)(C)C(=O)O)S(=O)(=O)c1ccc(CCCl)cc1	737344497	HMIRBKDCVPNFER-UHFFFAOYSA-N	319.810	1.952	50	20	DDGD	
OB(O)c1ccc(CNc2ccc(CCN3CCCC3)cc2)cc1	585013132	MMUGHVVDBAYLPV-UHFFFAOYSA-N	324.233	1.617	50	20	DDGD	
Cc1cc(C)cc(C2(C(=O)NNC(=O)c3c[nH]nc3C)CC2)c1	731852394	SQRIPPCUUBSTKJ-UHFFFAOYSA-N	312.373	1.828	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	837478618	LJGMRGHQRJLLRF-YIZRAAEISA-N	302.359	1.750	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2cccc(Br)c2O)cn1	735413279	JFYOJAUGARUBOG-UHFFFAOYSA-N	323.150	1.652	50	20	DDGD	
CC[C@@]1(CNS(=O)(=O)CCl)OCCc2ccccc21	831576706	JATVSVDZHIDTBK-ZDUSSCGKSA-N	303.811	1.980	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)C(=O)c1ccc2c(c1)CCC2	833250854	NEBWMPSAAXSFLN-CQSZACIVSA-N	316.357	1.075	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2ccc3c(c2)nnn3C)c1	737421092	PTQYDIQLJXQXHN-UHFFFAOYSA-N	323.356	1.806	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc(OCC(=O)O)c2)o1	832911760	MCFPKBJTZPWTST-UHFFFAOYSA-N	318.285	1.126	50	20	DDGD	
O=C(COc1ccccc1-c1nn[nH]n1)NN=CC1CCCC1	737930152	NJKRPTWJZYJYSP-UHFFFAOYSA-N	314.349	1.538	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCCc3nn[nH]c32)c1	831894612	PRTKOWYVBIPIIA-NSHDSACASA-N	315.333	1.155	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNc1nccc2sccc12	839683847	QOVFIFQIXFWNTA-SNVBAGLBSA-N	306.391	1.887	50	20	DDGD	
CN1CCN(C(=O)CCCC[C@@H]2CCSS2)[C@H](CN)C1	834303848	QEBVIDXDLMITLV-CHWSQXEVSA-N	317.524	1.802	50	20	DDGD	
CC1=C(C)C(=O)N(CCC(=O)N(C)CC(Cl)Cl)C1=O	908224034	UNHIGAMXWVOYKO-UHFFFAOYSA-N	307.177	1.344	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCCC1=NNC(=O)[C@H]1CCCCO1	834989020	ORNVZYMGZSHFAJ-NEPJUHHUSA-N	302.396	1.015	50	20	DDGD	
C[C@@]1(C(=O)NNc2cccc(Br)n2)CCOC1	837211730	JJITZYXUQLUYAA-LLVKDONJSA-N	300.156	1.714	50	20	DDGD	
O=C(c1cccn1Cc1cccs1)N1CC[C@H](B(O)O)C1	585072284	LCLDEMSXFAOPLP-NSHDSACASA-N	304.180	1.287	50	20	DDGD	
O=C(C[C@@H]1CC(=O)N1)NNc1cc(C(F)(F)F)ccc1F	831119230	JNBSFGBDDRECNI-ZETCQYMHSA-N	305.231	1.566	50	20	DDGD	
CCCCCCO[C@H](C)C(=O)NNC(=O)Cn1nc(C)cc1C	839471923	ZKZPQHSELPSUKJ-CQSZACIVSA-N	324.425	1.633	50	20	DDGD	
CC(C)C[C@@H](NC(=O)O)C(=O)NNc1ccc(Cl)nn1	736416790	RALNGVJCAGPDJE-SSDOTTSWSA-N	301.734	1.255	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CC(C)(C)[C@@H]3COC[C@@H]32)n1	836437257	MQYGOOUNIHZQDE-YPMHNXCESA-N	318.377	1.101	50	20	DDGD	
CC(C)(C)c1ccccc1OCCNCc1ccc(B(O)O)o1	585023963	OTOILOIKSRTOQB-UHFFFAOYSA-N	317.194	1.426	50	20	DDGD	
CC(C)(NC(=O)O)C(=O)NNc1nc(-c2ccccc2)no1	736336579	JFFWCNZZIAIIOL-UHFFFAOYSA-N	305.294	1.226	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1c(C)nn2cccnc12	918687938	BKIWWMQKOQQVCV-UHFFFAOYSA-N	309.329	1.421	50	20	DDGD	
C[C@H]1CC(=NNC(=O)Cn2nnc(-c3ccccc3)n2)[C@H](C)O1	834921108	PADMDHVFELSVBE-QWRGUYRKSA-N	314.349	1.010	50	20	DDGD	
CC(C)C(=O)NN=Cc1ccc(OC(F)(F)C(=O)O)cc1	730726890	GIYPXTAHZQUEFP-UHFFFAOYSA-N	300.261	1.849	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cccc([C@@H]2CCOC2)c1	833243648	VTKSZACMNXICOZ-CABCVRRESA-N	318.373	1.521	50	20	DDGD	
Cc1nccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)n1	917392072	PZSPXWBJBZRHMP-SECBINFHSA-N	318.308	1.153	50	20	DDGD	
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NN(C)CCOC	837625041	HAGCEFSHAZBKNC-ZDUSSCGKSA-N	309.366	1.773	50	20	DDGD	
CC(C)(C)n1cc(C=NNC(=O)Cc2cn3ccccc3n2)cn1	747636083	CJUQNMQHFHGBFY-UHFFFAOYSA-N	324.388	1.979	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccc3n[nH]cc3c2)c1	746597390	PEZCOIMQIIZHMU-UHFFFAOYSA-N	305.297	1.509	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)NNC(=O)C1CCCC1	914843961	HVJIXTHOZZXATQ-GFCCVEGCSA-N	309.410	1.361	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)C(=O)N2CCCC2)C1(CC)CC	748248277	CJBOUFWSHUZXLL-ZDUSSCGKSA-N	309.410	1.696	50	20	DDGD	
O=C(NNc1c(F)cccc1F)[C@H]1CC(=O)N(c2cn[nH]c2)C1	748854083	TZTNTLRXYPPYTA-QMMMGPOBSA-N	321.287	1.184	50	20	DDGD	
COc1cc(CNC(=O)NNc2ccc(Cl)nn2)ccc1O	916369632	MGHWSTMXTSJIGL-UHFFFAOYSA-N	323.740	1.671	50	20	DDGD	
Nc1cc(C(=O)NN=Cc2cccc(O)c2O)cc([N+](=O)[O-])c1	916346762	SRGVPLPUHHESET-UHFFFAOYSA-N	316.273	1.352	50	20	DDGD	
O=C(NN=Cc1cnon1)[C@@H]1CCCO[C@H]1c1ccccc1	844629693	NJYUPXUXEYDMQC-KGLIPLIRSA-N	300.318	1.688	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NC[C@@H]2CCCOC2)cc1	844904974	GZFZRPAGSXCHQT-ZDUSSCGKSA-N	321.377	1.455	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1nsc2ccccc12	843662586	UDBHBRCMLXVHIH-ZJUUUORDSA-N	319.386	1.411	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNc1ccc(CC(=O)OC)cc1	845235536	IAWSTDGWCXREQW-KGLIPLIRSA-N	319.361	1.372	50	20	DDGD	
C[C@@H](CCN)NC(=O)NNc1ccc(F)cc1Br	841967286	MGBJGDXDWRXATB-ZETCQYMHSA-N	319.178	1.952	50	20	DDGD	
CCCN(C(=O)/C(C#N)=C/c1cnn(C)c1)[C@H]1CCN(C)C1	843990728	YIERTAMBNGYJGV-NHXNDTTKSA-N	301.394	1.270	50	20	DDGD	
COc1cc(C(C)=NNC(=O)[C@@H]2CCO[C@@H]2C)c(OC)cc1O	842555192	QNBPWCANJVAJLZ-GHMZBOCLSA-N	322.361	1.675	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1Cc2cc(F)c(F)cc2C1	847049380	VZYKIEPMFYKARO-UHFFFAOYSA-N	311.332	1.474	50	20	DDGD	
CCOC(=O)c1cc(/C=C(\C#N)C(=O)C2CCOCC2)[nH]n1	843268794	NKGZCHGDSZUHDL-YRNVUSSQSA-N	303.318	1.489	50	20	DDGD	
O=C(NNc1ncccn1)[C@@H]1CCCN(Cc2cccnc2)C1	749163438	BQQXUBZJONHZLO-CQSZACIVSA-N	312.377	1.227	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cc(-c2ccco2)[nH]n1	747429959	XCGNDODGYPUTJT-UHFFFAOYSA-N	311.301	1.068	50	20	DDGD	
CC(C)CCNC(=O)NNc1ncc(Br)cn1	847262980	YTTFTHZNQFKBAM-UHFFFAOYSA-N	302.176	1.911	50	20	DDGD	
Cc1cccc2c(C(=O)NNC(=O)CN3CCCC3=O)coc12	913733439	JJKHYUPBSGXVCX-UHFFFAOYSA-N	315.329	1.125	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccc(Cl)cc2O)n1	740107919	QEZCIDMFQWMMQX-UHFFFAOYSA-N	307.741	1.659	50	20	DDGD	
C[C@@H](CN)NC(=O)NNC(=O)c1cc2c(s1)CCCCCC2	841982212	KSEPQEKZNXWDJE-JTQLQIEISA-N	324.450	1.698	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)NC[C@H]2CCCN2)cc1	841937321	PNKVKBFSKJNCNF-CQSZACIVSA-N	318.421	1.680	50	20	DDGD	
COc1ncnc(N)c1C=NNC(=O)Nc1ccccc1C	747632778	IMDHELMPLBSCFG-UHFFFAOYSA-N	300.322	1.531	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1CCCc2ccc(OC)cc21	847285370	JESNITDKHRLBIG-CYBMUJFWSA-N	319.430	1.796	50	20	DDGD	
CO[C@@]1(C=NNC(=O)Nc2ccc3c(c2)OCO3)CCOC1	841640555	NCQUIGVADOXUHH-CQSZACIVSA-N	307.306	1.328	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)Cc2cn3ccccc3n2)cn1	747638621	QDJWZKYRUHXKOF-UHFFFAOYSA-N	310.361	1.634	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C(C)(C)CNC(C)=O	844362643	HTOLYKYZGDYQRD-UHFFFAOYSA-N	310.306	1.671	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N[C@H](CN)C2CCCC2)c1	841988315	UMYIIDLGTSOKNQ-CQSZACIVSA-N	315.377	1.020	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@]23CCC[C@@H]2C3)cc1C	929381226	FOUUQVWUMOUPIS-SJKOYZFVSA-N	315.373	1.580	50	20	DDGD	
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccn1	741772407	ZMQVKPCIFWFVGF-UHFFFAOYSA-N	300.274	1.849	50	20	DDGD	
Cn1c(NNC(=O)c2ccc(F)nc2)nc2ccccc2c1=O	746258081	LDNLBQFRRSOEDI-UHFFFAOYSA-N	313.292	1.225	50	20	DDGD	
C[C@]1(C(=O)N2CC[C@H](C3OCCO3)C2)C[C@H]1Br	927997475	VCLDVQKNBSLIQO-SBMIAAHKSA-N	304.184	1.381	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@]1(O)CCSC1	840547063	IOICOBRBMFDWSE-GFCCVEGCSA-N	316.814	1.565	50	20	DDGD	
Cc1ccc(C(F)(F)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	843660596	KSHOFNBWXMZSAF-PWSUYJOCSA-N	312.316	1.659	50	20	DDGD	
CN(C)Cc1cccc(NC(=O)NNC(=O)CC(F)(F)F)c1	920939928	JJLAMVANXDEXQT-UHFFFAOYSA-N	318.299	1.853	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H](C)Cc2ccc(F)cc2)n1	921024424	CBQKTLYTAYYNJC-JTQLQIEISA-N	304.325	1.946	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cnc(O)c(C(F)(F)F)c1	929792787	KEEDNEFPQOGWMF-UHFFFAOYSA-N	305.256	1.613	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)CC2=CCSC2)cc1	852747842	YYPGLPQKIBFQSO-UHFFFAOYSA-N	319.430	1.361	50	20	DDGD	
CO[C@H](C(=O)NNC(=S)N[C@H](C)C1CC1)c1ccccc1	855098398	HBPOGRLEKDIFCV-MFKMUULPSA-N	307.419	1.668	50	20	DDGD	
COC(=O)[C@@H]1CC12CCN(CCI)CC2	759362201	BDLBQMBAVBDINZ-VIFPVBQESA-N	323.174	1.697	50	20	DDGD	
CC(=O)c1ncc(C(=O)NNC(=S)N[C@H](C)C2CC2)s1	855095806	OWHWCEIBDBRGOO-ZCFIWIBFSA-N	312.420	1.253	50	20	DDGD	
CCNC(=O)c1cccc(NC(=O)NNC(=O)CC(C)C)c1	755515483	WKJZJLBSONIQCS-UHFFFAOYSA-N	306.366	1.635	50	20	DDGD	
Cn1nc(CNC(=O)NNC(=O)C(C)(C)C)c2ccccc21	759267870	XIAWVGMVTALWMV-UHFFFAOYSA-N	303.366	1.450	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)c1cnn(C2CC2)c1	858132079	RPCXXWOMBCMAQY-UHFFFAOYSA-N	324.344	1.029	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NNC(=O)C2CCCC2)C1	751081029	PNWOFOYETPDBFN-OCCSQVGLSA-N	323.437	1.609	50	20	DDGD	
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NNC(=O)C1CCC1	852606318	YAOOQGNFUSEXLA-QWHCGFSZSA-N	303.362	1.682	50	20	DDGD	
Cn1ncc(C(=O)NNc2ncc(F)cc2F)c1C(F)F	857533408	XOGSZERSRXQPQZ-UHFFFAOYSA-N	303.219	1.788	50	20	DDGD	
CCC[C@@]1(C)C(=O)NCCN1CCI	759508087	AIGMZYNZWGURER-JTQLQIEISA-N	310.179	1.412	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)N1CC[C@@H]2C[C@H]2C1	852068087	LQPSNOSCAXLFRS-KGLIPLIRSA-N	312.373	1.724	50	20	DDGD	
Cc1ccc(C)c(OCCC(=O)NNC(=O)c2cc[nH]n2)c1	855362373	RUMBBZVWHRMLRN-UHFFFAOYSA-N	302.334	1.257	50	20	DDGD	
O=C(NCCO[C@@H]1CCOC1)NNc1ccc(Cl)nc1	927515745	BFUWFBKWKXWURR-SNVBAGLBSA-N	300.746	1.167	50	20	DDGD	
Cc1ccc([C@@H](C)[C@H](O)C(=O)NNC(=O)CC(F)(F)F)cc1	855000732	NTEMVELRCGQORU-SKDRFNHKSA-N	318.295	1.559	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)COc1ccccc1F)C1CCC1	756050693	LLXLKRIAJKEAFL-JTQLQIEISA-N	309.341	1.724	50	20	DDGD	
C[C@H]1Cc2cc(CNS(=O)(=O)CBr)ccc2O1	921589861	ONZSKWFQFBBFGJ-QMMMGPOBSA-N	320.208	1.782	50	20	DDGD	
CO[C@]1(CNC(=O)NNc2ccc(Cl)cc2F)CCOC1	921984765	JRFKIWIZJXBSMB-ZDUSSCGKSA-N	317.748	1.911	50	20	DDGD	
O=C(CCSc1ccccn1)NNC(=O)c1ccccn1	755033795	HLEJAUPRCDGVTJ-UHFFFAOYSA-N	302.359	1.420	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=C1CCC(=C2CCC2)CC1	853311968	FLLGFWIDSIJKTF-UHFFFAOYSA-N	316.361	1.957	50	20	DDGD	
CC(C)(CCNC(=O)NNC(=O)c1cccc(F)n1)C1CC1	852359586	JUMZZLATZURWKM-UHFFFAOYSA-N	308.357	1.991	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccnn1CCc1ccccc1	857120683	MOLIPLYNDHTLLF-UHFFFAOYSA-N	312.373	1.687	50	20	DDGD	
BrC[C@@H](CN1CCOC[C@]12CCOC2)C1CC1	859294500	UKTUEIPKSJXUMI-QWHCGFSZSA-N	304.228	1.899	50	20	DDGD	
Cc1ccccc1C(=O)NNS(=O)(=O)c1cn(C(C)C)cn1	753949510	NOFMDZKUBHABJU-UHFFFAOYSA-N	322.390	1.396	50	20	DDGD	
Cn1nc(C(=O)NNc2ncc(Cl)cn2)c2c1CCCC2	857359061	PZTIDMRGSXNFSH-UHFFFAOYSA-N	306.757	1.499	50	20	DDGD	
CO[C@H](C)CNC(=O)NNC(=O)NCc1ccc(Cl)cc1	852535752	KAGZLOKYUDVUSK-SECBINFHSA-N	314.773	1.388	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccc[nH]2)nn1-c1ccccc1	757882108	KRLLTPFCELQNBP-UHFFFAOYSA-N	324.344	1.975	50	20	DDGD	
Cc1cccc2c1O[C@@H](C(=O)NNC(=S)N[C@@H](C)C1CC1)C2	855095270	KEXIBWLPMBZSPB-GXFFZTMASA-N	319.430	1.592	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)c2cccc(F)n2)o1	856426728	GPTOXVZHBYRGEG-UHFFFAOYSA-N	306.297	1.544	50	20	DDGD	
CN(CC(=O)O)c1ccc(C(F)(F)F)cc1C=NNC(N)=O	755464616	QZFPTQYDEWZJNM-UHFFFAOYSA-N	318.255	1.228	50	20	DDGD	
Cc1cccc2c1CCC2=NNC(=O)C(=O)Nc1ccccn1	758387983	SZGFNYSUCQNDQO-UHFFFAOYSA-N	308.341	1.795	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=CC[C@@H]1CCOC1	765556940	QZQBZIPXKOKVIE-CYBMUJFWSA-N	306.362	1.993	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)CCc1c(F)cccc1F	863401051	VTBSMJXBRISILI-UHFFFAOYSA-N	320.361	1.504	50	20	DDGD	
Cc1ccc(S(C)(=O)=O)cc1NC(=O)NNc1cnccn1	769937221	NSKQZFDNCDRINA-UHFFFAOYSA-N	321.362	1.337	50	20	DDGD	
CC1(C)Cc2cc(C(=O)NNC(=O)c3cn[nH]c3)ccc2O1	862469696	SAMIYURKYMPMFE-UHFFFAOYSA-N	300.318	1.198	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC(CC(N)=O)CC1	866524746	MFTDGHITYLJDMJ-UHFFFAOYSA-N	310.847	1.169	50	20	DDGD	
COC[C@@H](C)NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	769725720	VGQLTZJYLOKNAL-GYPVXTSCSA-N	309.410	1.568	50	20	DDGD	
CCO[C@@H]1CCCC1=NNC(=O)COc1ccc(C#N)cc1	766431625	YFOIDVPJWDLWAL-OAHLLOKOSA-N	301.346	1.998	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C(C)(C)c2ccccc2)ncn1	932373433	YQJCYSODLROMNT-UHFFFAOYSA-N	314.345	1.224	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccnc(CN(C)C)c1	932174113	CFTOCLBTHZACNJ-UHFFFAOYSA-N	303.366	1.099	50	20	DDGD	
CC(=O)Nc1cc(F)ccc1C(=O)NNC(=O)OC(C)(C)C	864429616	ZVJRZEKHDMNFSG-UHFFFAOYSA-N	311.313	1.954	50	20	DDGD	
O=C(CCCCO)NNC(=O)Cc1cccc2ccccc12	864663349	APJMJUSITSAWHW-UHFFFAOYSA-N	300.358	1.692	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H](C)n1ccc(C(F)(F)F)n1	864457415	SMPLAVNBUPTUTE-ZETCQYMHSA-N	321.328	1.144	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NN=C2CCN(C)C2=O)c1C	761765043	CLAJUHKOYNVHOR-GFCCVEGCSA-N	303.362	1.405	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1	762193903	PRSKJDGYOPECBV-VIFPVBQESA-N	317.305	1.191	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C[C@H](C)C(=O)c2ccccc2)n[nH]1	765588948	VZKDLRMCVJVTNX-JTQLQIEISA-N	314.345	1.388	50	20	DDGD	
NC(=O)C(=O)NN=C(CC(F)(F)F)c1ccc(Cl)cc1	763337208	AQUDCWPSSBRZFR-UHFFFAOYSA-N	307.659	1.598	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCSCC(F)(F)F	769709195	BWFIZWNYDNDZFM-UHFFFAOYSA-N	301.334	1.658	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccc(F)c(Cl)c1F	869907382	KCDVOKCGYSTQNR-UHFFFAOYSA-N	322.695	1.042	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC(OCCO)CC1	867017217	HVNGNMSUNCUNMZ-UHFFFAOYSA-N	313.847	1.055	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H]2c3c[nH]nc3CC[C@@H]2C)n1	878968738	ZVQYOHAZUMMVGW-WPPNPWJKSA-N	320.784	1.971	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN[C@H](CCCO)c1ccccc1	775456544	YSLNRMGYZJACFS-CQSZACIVSA-N	321.421	1.283	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCC2CCOCC2)cc1	1116154670	JACBKYXANJOGSE-UHFFFAOYSA-N	306.362	1.663	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(Cl)s1)C1CCOCC1	882805743	TXTMCIMALXKOII-UHFFFAOYSA-N	324.811	1.138	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H]1CCN1Cc1ccccc1	875754921	AAYBESDLOKYEMN-ZDUSSCGKSA-N	306.366	1.173	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)NC1(C(F)(F)F)CCC1	879379231	MGTSAAQATOASJN-UHFFFAOYSA-N	314.271	1.840	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNc1ccnc(Br)c1	771551155	ABQKJMMOAIEJEZ-VXNVDRBHSA-N	300.156	1.712	50	20	DDGD	
C#CCCCNC(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	770542782	AHPGIBJSIPRAOI-NSHDSACASA-N	323.780	1.851	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H]1COC2(CCCCCC2)O1	875464208	GCUODCOWPHTCQC-NSHDSACASA-N	315.370	1.365	50	20	DDGD	
O=C(NCc1nc(C2CC2)no1)NNc1cc(Cl)ccn1	778643466	RDXHFSCMTVPWIZ-UHFFFAOYSA-N	308.729	1.822	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2cccc([S@@](C)=O)c2)n1	770027758	VBDOQGNJYPIZCQ-JOCHJYFZSA-N	319.390	1.979	50	20	DDGD	
C[C@@]1(C(=O)N2CCC3(CC2)CC(=O)N3)C[C@H]1Br	1119623847	IGQWSCNVWOUIGK-LDYMZIIASA-N	301.184	1.041	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(Cl)ccc1N	771934925	XBCGAHCNWKVHKF-ZETCQYMHSA-N	313.741	1.025	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C(F)=C1CCCC1	772185527	XVQOUCRMJXCTNS-JTQLQIEISA-N	314.357	1.909	50	20	DDGD	
C#CCCCC(=O)NNC(=O)COc1cc(Cl)ccc1C	887153267	NTYGBCULRXYEOT-UHFFFAOYSA-N	308.765	1.978	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2CCN(C(C)C)CC2)cc1O	882048963	JOMLVNRUNJVSTC-UHFFFAOYSA-N	319.405	1.582	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)n1cc(-c2cccc(Cl)c2)nn1	881293370	OKZXIXRZZAERMQ-SECBINFHSA-N	321.768	1.717	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@]1(C)CC(c2ccccc2)=NO1	887150606	PYHOFARZSMPDDJ-QGZVFWFLSA-N	313.357	1.521	50	20	DDGD	
O=C(C[C@H]1COC(=O)C1)NNc1ccc(C(F)(F)F)cn1	775248225	SOWSHTZKTFPMAE-SSDOTTSWSA-N	303.240	1.497	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CNC(=O)c1cccc(Cl)c1	887139479	QWUGBWRRVHIZLC-UHFFFAOYSA-N	321.764	1.021	50	20	DDGD	
O=C1CC[C@@]2(C(=O)NNc3ccc(F)c(F)c3)SCCN12	885111166	VALKENFQJYJUJM-ZDUSSCGKSA-N	313.329	1.473	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1cc(C)cc(F)c1	1121018991	MWQJMZIGWBDGMR-UHFFFAOYSA-N	305.309	1.024	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NNc1c(F)cc(F)cc1F	885150714	HIZGLIIFZXHDEW-JTQLQIEISA-N	318.299	1.774	50	20	DDGD	
C#CCCCC(=O)NNC(=O)COc1ccc(OC)c(C)c1	887145382	BOJKJOGXVXTOQD-UHFFFAOYSA-N	304.346	1.333	50	20	DDGD	
COCCn1ccc(C(=O)NNc2oc(C(C)C)nc2C#N)n1	784377242	BYARKMAHQYSWNN-UHFFFAOYSA-N	318.337	1.269	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)[C@@H]1C[C@H]1c1cccc(F)c1	882660144	MQDIYRYBAGGBTR-WDEREUQCSA-N	302.327	1.262	50	20	DDGD	
CC[C@@H](Cc1ccccc1C)C(=O)NNC(=O)c1cccnn1	882055953	HZLZHARYFKLIRG-ZDUSSCGKSA-N	312.373	1.815	50	20	DDGD	
COC(=O)C(C)(C)c1ccc(NC(=O)NNC(=O)C(C)C)cc1	782577566	OVBJQBUYTNCRPG-UHFFFAOYSA-N	321.377	1.946	50	20	DDGD	
Cc1cccc([C@@H]2CCN(CC(=O)NNC(=O)C3CC3)C2)c1	784480824	IRQDBIOMRYQGIN-OAHLLOKOSA-N	301.390	1.342	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=S)NC1(C)CC1	789161524	JPUWOGIDJFJEAK-UHFFFAOYSA-N	309.391	1.122	50	20	DDGD	
COC1CCC(C(=O)NNC(=O)CNc2ccccc2)CC1	781894560	WYCYNJUQPPJCSA-UHFFFAOYSA-N	305.378	1.451	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccc(-c2nnc(C)o2)c1	780710898	ZMMIKIRGNIDTLX-UHFFFAOYSA-N	303.322	1.351	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1c[nH]nc1-c1ccccc1F	780706362	NFBWXHAWWJMKLZ-UHFFFAOYSA-N	305.313	1.522	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc2oc(N(C)C)nc2c1	782587636	BGSXRKYYGNIJLU-UHFFFAOYSA-N	305.338	1.703	50	20	DDGD	
Cc1nn(CC(F)F)cc1C(=O)NNC(=O)CC1CCCC1	893802553	VXTGMDZZIPDGMU-UHFFFAOYSA-N	314.336	1.798	50	20	DDGD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)c1ccc2c(c1)OCO2	792790604	YPHJIQMTHUPSCF-ZJUUUORDSA-N	318.329	1.182	50	20	DDGD	
CCCc1ccc(Cl)c(S(=O)(=O)NNC(=O)NC)c1	790054962	SLBPJHALRSZQNS-UHFFFAOYSA-N	305.787	1.415	50	20	DDGD	
CSSCCNC(=O)NC[C@H]1CN(CC(C)C)CCO1	790880457	KBMUZCLFNSGUIQ-LBPRGKRZSA-N	321.512	1.654	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2ccc3n[nH]cc3c2)n1	793597592	DWKPZEYTJAWBSR-UHFFFAOYSA-N	312.333	1.356	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)COc1ccc(F)cc1	792808565	GQUMHQOXFVYHLP-HZMBPMFUSA-N	312.341	1.413	50	20	DDGD	
COC(=O)N1CCC[C@@H](NC(=O)NCCSSC)C1	790692844	DYTSOMIDZROJPG-SECBINFHSA-N	307.441	1.528	50	20	DDGD	
C[C@]1(C=NNC(=O)c2ccc(-n3cnnn3)cc2)CCCS1	792937212	WAFYUUUVHUGDCV-CQSZACIVSA-N	316.390	1.664	50	20	DDGD	
C[C@H](NS(=O)(=O)CBr)c1c(F)cncc1F	796227920	URWJSXHMXGVBOX-YFKPBYRVSA-N	315.139	1.693	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)C[C@@H]2CCCO2)c1	791277094	JEMDRWNHHKTSMI-ZDUSSCGKSA-N	306.366	1.792	50	20	DDGD	
C=C(CBr)COC(=O)c1ccc(C(=O)OC)[nH]1	796349243	FDJYIOHQHUQBEB-UHFFFAOYSA-N	302.124	1.909	50	20	DDGD	
CS(=O)(=O)c1ccc(COC(=O)/C(C#N)=C\C2CC2)cc1	792218562	CHQQZRMMBYJWMZ-JYRVWZFOSA-N	305.355	1.993	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cnccc1SC	793076203	JPZLDGFJQBHNPY-UHFFFAOYSA-N	317.461	1.869	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCCOC2)c2ccccc2n1	799010673	NHLOBLDTOZJBTR-LBPRGKRZSA-N	313.357	1.731	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCC1CCOCC1	1318837319	DGABEFSICJBLSU-UHFFFAOYSA-N	305.378	1.756	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1	1328383677	BYFLHKYGWXVMSJ-VHRBIJSZSA-N	319.430	1.993	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cccc3cnccc23)nn1	1320586887	LKACMCAKAHHMRW-UHFFFAOYSA-N	322.328	1.415	50	20	DDGD	
O=C(NC[C@@H]1CCCNC1)NNC(=O)c1ccccc1Cl	1325324299	OIJDLDRWRKCKNP-SNVBAGLBSA-N	310.785	1.284	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CCc3nncn3C2)cc1Cl	1326425161	DWXQBSCQSYXCQU-JTQLQIEISA-N	305.769	1.946	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc2c(nc1O)CCC(C)(C)C2	1328743027	DTRMSHWJWJPRGD-UHFFFAOYSA-N	322.434	1.383	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)c2cncn2-c2ccccc2)CO1	1326070704	IKJGFDMJIVPRPB-RYUDHWBXSA-N	314.345	1.058	50	20	DDGD	
Cn1ncc([N+](=O)[O-])c1C(=O)NNc1cnc2ccccc2n1	1326574497	HJVVLFOPIPIBSN-UHFFFAOYSA-N	313.277	1.028	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]c1=S)C1(O)CCOCC1	1331789389	BUSQKODKGVDKID-UHFFFAOYSA-N	320.374	1.277	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2C[C@H]2c2ccncc2)c1	1337802292	AGKVHPNKFZSUGY-JKSUJKDBSA-N	324.384	1.712	50	20	DDGD	
Cc1ccc(O)c2c1[C@H](C)CC2=NNC(=O)CS(C)(=O)=O	1331821479	OHUGCUOLIZVMHM-SECBINFHSA-N	310.375	1.073	50	20	DDGD	
Cc1ccnc(O)c1C(=O)NNC(=O)c1ccccc1Cl	1254337728	BVOYVSRTFFLSCQ-UHFFFAOYSA-N	305.721	1.824	50	20	DDGD	
Cc1c([C@H](C)NC(=O)NNc2ncncc2Cl)cnn1C	1338536357	NUCDVHXBOOENCE-ZETCQYMHSA-N	309.761	1.559	50	20	DDGD	
Cc1nc(C)c(CCC(=O)NN[C@@H](C)C(F)(F)F)c(O)n1	1331818856	OAMJROJQOWNGFX-ZETCQYMHSA-N	306.288	1.303	50	20	DDGD	
C[C@]1(Cn2nnnc2N2CCSCC2)C[C@H]1Br	1336187592	QRQXLWXEHFEYEQ-PSASIEDQSA-N	318.244	1.400	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1cc(F)ccc1C	1337762897	SWXOJGSXSRHHET-UHFFFAOYSA-N	305.309	1.024	50	20	DDGD	
Cc1c([C@H](C)NS(=O)(=O)CC(C)(C)CCl)cnn1C	1330354001	JFHCKYOGDXJFPG-VIFPVBQESA-N	307.847	1.974	50	20	DDGD	
CC(=NNC(=O)C1CCOCC1)c1ccc2nc(O)[nH]c2c1	1330919354	SCYPFELJRLHESX-UHFFFAOYSA-N	302.334	1.535	50	20	DDGD	
CCOC(=O)NNC(=O)CN(CC(C)C)C(=O)OC(C)(C)C	1332946853	ZIOXJFNIACLWDL-UHFFFAOYSA-N	317.386	1.657	50	20	DDGD	
CCOC(=O)c1ncc(C(=O)NNc2ccc(OC)cn2)s1	1261091125	MXSGMIJCRXVZLJ-UHFFFAOYSA-N	322.346	1.480	50	20	DDGD	
COc1cc(CCNC(=O)NNC(=O)C2CCC2)cc(OC)c1	1347149585	UVRQAQAIKPNOPQ-UHFFFAOYSA-N	321.377	1.377	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C12CCC(CC1)CC2	1358228046	MQZGCIXHOZRWAQ-UHFFFAOYSA-N	312.410	1.893	50	20	DDGD	
CCN(CC)CC[C@H](C)NC(=O)NNc1nc(C)cc(C)n1	1524019830	VTPAIBJOJZNUGN-NSHDSACASA-N	308.430	1.840	50	20	DDGD	
CC[C@@H](C)C(=O)NN=Cc1ccc(-c2nn[nH]n2)c(OC)c1	1609184000	MCAMYFLITVMLAF-SECBINFHSA-N	302.338	1.372	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNc2ccc(CC(=O)O)cc2)n1	1600178948	NPPYGNWEGFTXKC-UHFFFAOYSA-N	302.334	1.270	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cccc(OCC(=O)O)c1	1607891172	QQECUYIYYVICCJ-UHFFFAOYSA-N	301.302	1.610	50	20	DDGD	
CN(C)C1(C(=O)NNc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1	1604673381	NIHSSSREEVJXRM-UHFFFAOYSA-N	321.772	1.057	50	20	DDGD	
O=C(COCc1ccnc(O)c1)NNc1cccc(C(=O)O)c1	1608348769	DGKGRZWACFTCHS-UHFFFAOYSA-N	317.301	1.145	50	20	DDGD	
O=C(O)Cn1cccc1C=NNC(=O)COc1ccc(F)cc1	1602166510	SSGSTBGOKUSHQD-UHFFFAOYSA-N	319.292	1.241	50	20	DDGD	
Cc1cc(CNC(=O)NNc2cccc(C(=O)O)c2C)n[nH]1	1607642770	BRDTTXOQNJGCBK-UHFFFAOYSA-N	303.322	1.551	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)[C@@H]2CCCN(CC(=O)O)C2=O)c1	1605151656	SUVDAFWXGQJVAW-ZDUSSCGKSA-N	319.361	1.070	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@H](C(=O)O)[C@H]1C	1608009790	ZQQVIRSJINWQQV-KOLCDFICSA-N	313.785	1.674	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1cc(F)ccc1F	1549317651	XGJREOVIKWGLQB-IUODEOHRSA-N	323.343	1.668	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1C[C@H](O)C[C@@H](C(=O)O)C1	1610619218	SGZFJEZIRJRJHF-CQDYAAEXSA-N	318.304	1.027	50	20	DDGD	
O=C(O)C12CCC(C(=O)NNc3ccc(Cl)nn3)(CC1)C2	1610729333	BLDWILYQKKISGS-UHFFFAOYSA-N	310.741	1.608	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CCCC23OCCO3)c(F)c1	1610835451	IEPAOMFVAAKDFB-JTQLQIEISA-N	324.308	1.510	50	20	DDGD	
O=C(O)[C@@H](NS(=O)(=O)CCCCCl)C1CCCCC1	1610719308	RYSHKTWTWDZOPG-NSHDSACASA-N	311.831	1.958	50	20	DDGD	
O=C(NN=C[C@@H]1CCC(F)(F)C1)[C@H]1CN2CCC[C@@H]2CO1	1549904613	KPWPOMWTQGQAQC-IJLUTSLNSA-N	301.337	1.387	50	20	DDGD	
CC(Cc1ccc(O)cc1)=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549320128	KTZPDLLNAACTNI-GOEBONIOSA-N	317.389	1.290	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C=NNC(=O)c1ccccn1	1552449253	YZYYWWSDURRDIH-TZMCWYRMSA-N	313.361	1.699	50	20	DDGD	
CN(C)C(=O)[C@H]1CCN(C[C@@H](CBr)C2CC2)C1	859328653	RWBKITWNIIARAH-NWDGAFQWSA-N	303.244	1.818	50	20	DDGD	
Cn1cc([C@H]2OCCC[C@@H]2C=NNC(=O)c2cccnn2)cn1	1552928142	WRGYLEDHCCJGJH-RISCZKNCSA-N	314.349	1.094	50	20	DDGD	
CC(C)(C)C[C@@H]1C[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1589130608	KSXGCOIBFMRFAT-WDEREUQCSA-N	315.381	1.777	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)c2cnoc2)C1	1843473576	USDUUGSWPSLIHH-SECBINFHSA-N	301.705	1.026	50	20	DDGD	
COC(=O)CCCC(=O)NNc1ccc(C(=O)O)cc1OC	1598850568	LROSNYOYNDHECV-UHFFFAOYSA-N	310.306	1.180	50	20	DDGD	
O=C(NN=Cc1ccc(-c2nn[nH]n2)o1)c1ccccc1Cl	1593155009	VCLMBXAXWWRCCF-UHFFFAOYSA-N	316.708	1.877	50	20	DDGD	
CCc1ncncc1C(=O)NNc1cccc(C(=O)O)c1F	1597709160	JIDIAKJLTNMLBR-UHFFFAOYSA-N	304.281	1.633	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1cc(C(=O)O)co1	1599704402	XQQZYZBYAVSJDO-UHFFFAOYSA-N	302.286	1.679	50	20	DDGD	
COCc1nn(C)cc1C(=O)NNc1cccc(C(=O)O)c1	1599305769	OPNSDGFROOCWNR-UHFFFAOYSA-N	304.306	1.022	50	20	DDGD	
COc1ccccc1NNC(=O)c1ccc(-c2nn[nH]n2)o1	1591651630	HHZARXPIOCNTOO-UHFFFAOYSA-N	300.278	1.225	50	20	DDGD	
O=C(CC(F)(F)F)NN=C1CCCc2ncc(C(=O)O)cc21	1776036360	BWJKFRILRUALGY-UHFFFAOYSA-N	315.251	1.889	50	20	DDGD	
Cc1nsc(C=NNC(=O)NCC(F)(F)F)c1C(=O)O	1776036450	NLCOQXKFUFOOJO-UHFFFAOYSA-N	310.257	1.345	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NN=C(C)c1cccc(OCC(=O)O)c1	1776102148	IFGJPTSXSDLOEF-KBPBESRZSA-N	320.345	1.415	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C\c1cc(F)c(C(=O)O)c(F)c1	1776117597	BNEQDODQTUWORK-QPIMQUGISA-N	300.224	1.830	50	20	DDGD	
CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Cl)C[C@@H]21	1786440324	CCYNINSQNQMRTM-MRBYEJRBSA-N	320.792	1.301	50	20	DDGD	
CC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(F)F	1795561895	OTIOCAOSTYUCQZ-UTINFBMNSA-N	308.756	1.907	50	20	DDGD	
Cc1ccn(C)c(=O)c1NC(=O)NNc1cnc2ccccc2n1	162109882	UPKSGAHKYXFATR-UHFFFAOYSA-N	324.344	1.786	50	20	DDGD	
COC(=O)NNC(=O)Cc1csc(Cc2ccccc2)n1	158741490	BUKAZEQZMFMLPO-UHFFFAOYSA-N	305.359	1.664	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C[C@@H](C)c2ccc(F)cc2)[nH]n1	153283696	SQQFRRXTXAEFIH-SECBINFHSA-N	304.325	1.812	50	20	DDGD	
CCC(=O)N1CCC[C@@H](C(=O)NNc2ccc(C#N)cc2)C1	155485956	ULQMPAHQEWGKIJ-CYBMUJFWSA-N	300.362	1.650	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)c2ccc(CCCl)cc2)CCO1	36324929	DGAALKJOTRPVPO-NSHDSACASA-N	303.811	1.877	50	20	DDGD	
COC(=O)NCCC(=O)N(C)NC(=O)OCc1ccccc1	862287432	NXFOIDCXYDUXHY-UHFFFAOYSA-N	309.322	1.032	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1ncoc1C	104822316	YUOJMMBQJZBTMB-UHFFFAOYSA-N	303.318	1.385	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CNC(=O)c1ccccc1	8089934	CJANWKGRAJMQCV-UHFFFAOYSA-N	311.341	1.186	50	20	DDGD	
C[C@H](c1ccco1)N(C)C(=O)NNC(=O)Cc1cccnc1	103518622	QCOWKKPWPWFZDY-LLVKDONJSA-N	302.334	1.651	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)[C@@H]1CCCO1)Cc1ccccc1	117505111	OXWDBESRLBCCIY-AWEZNQCLSA-N	319.405	1.765	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CC[C@@H]2CC[C@@H](C)O2)c(O)c1	175551472	VEYYUUXSTPKWFF-NEPJUHHUSA-N	306.362	1.809	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)c[nH]1	179913086	KRESMGYOUREXMV-UHFFFAOYSA-N	320.312	1.351	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1cccc(-n2ccnn2)c1	179924850	YMDCGERMGWGWDJ-UHFFFAOYSA-N	302.338	1.466	50	20	DDGD	
CCn1cc(NC(=O)NNC(=O)CCOc2ccccc2)cn1	60798136	CRPPBEQGWGXBEM-UHFFFAOYSA-N	317.349	1.525	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1ccc(-n2cnnc2)cc1	118502165	BFZUSYJLNVMBMD-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CC[C@H]1CC[C@@H](C)O1	173235354	GGTPGHCAVLDWQF-VXGBXAGGSA-N	306.362	1.804	50	20	DDGD	
CCC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)COCC	66703460	SYGKTTUWDOTUMD-AWEZNQCLSA-N	307.394	1.765	50	20	DDGD	
Cc1cccc2[nH]cc(CC(=O)NNC(=O)Cc3ccncc3)c12	175802894	LIJKHIIXQATYPX-UHFFFAOYSA-N	322.368	1.804	50	20	DDGD	
Cc1cccc(NC(=O)NNc2cccc(S(C)(=O)=O)c2)n1	125212516	WGUCEPBXFDUVID-UHFFFAOYSA-N	320.374	1.942	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)CCc2ccccc2)CCCO1	126202341	VLAHKCWSKKGPMV-INIZCTEOSA-N	305.378	1.519	50	20	DDGD	
FC(F)(F)[C@H]1CN(CCI)CCO1	306632249	BEQKSMSARVUSKO-ZCFIWIBFSA-N	309.069	1.685	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC[C@H]2CCCCO2)s1	181082251	HOBJTKABYOKIRX-LLVKDONJSA-N	311.407	1.960	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1	72644817	QILDVOHWGXUXKL-MCIONIFRSA-N	303.362	1.081	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNC(=O)c1cccc2ncccc12	129535542	ULJSEOJZIJCIOA-NSHDSACASA-N	316.361	1.604	50	20	DDGD	
COCCC[C@H](C)C(=O)NNc1nc2ccccc2c(=O)[nH]1	183566595	ZJRMHIYDIXCIHK-JTQLQIEISA-N	304.350	1.429	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NNC(=O)Cc1cc[nH]n1	186100977	ZWLZPFMFOCXVFY-WDEREUQCSA-N	304.375	1.273	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1ccc(-n2nccn2)cc1	185209991	PDOUDDWKOUSUQM-UHFFFAOYSA-N	322.328	1.349	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc2c(c1)CCC(=O)N2C	186854422	UZPXSQPBYXXBFW-UVTDQMKNSA-N	313.357	1.265	50	20	DDGD	
O=C(NNc1ncccn1)c1ccc(NC2CC2)c([N+](=O)[O-])c1	123969414	POQGWMQDLJPJQI-UHFFFAOYSA-N	314.305	1.716	50	20	DDGD	
COCCC1(CNC(=O)NNc2ccc(Cl)nn2)CCC1	124130122	JQALDABDUXXPKS-UHFFFAOYSA-N	313.789	1.963	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H](NC(C)=O)C2CCCC2)c1	130793823	XUERFPDNPADFFI-OAHLLOKOSA-N	323.368	1.972	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2ccc(C)c(F)c2)nc(C)n1	130439939	CCHOVFIKGDJFDN-UHFFFAOYSA-N	317.324	1.623	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1C[C@@H](C)C[C@H](C)C1	136184523	DXJLWPCKSCDRRC-KBPBESRZSA-N	317.433	1.663	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1c(F)ccc(F)c1F	133497754	IJUWLQAZTWCWEL-UHFFFAOYSA-N	305.256	1.084	50	20	DDGD	
O=C(CCn1cccn1)NNC(=O)Cc1c[nH]c2ccccc12	47669136	RDWNOWCTBFNORW-UHFFFAOYSA-N	311.345	1.145	50	20	DDGD	
Cc1ccnc(NNC(=O)c2cnc3sc(C)cn3c2=O)c1	89456474	YWGGFVLTWAGYSD-UHFFFAOYSA-N	315.358	1.525	50	20	DDGD	
CCCC(CCC)C(=O)NNC(=O)C(=O)Nc1ccccn1	134065827	LNADIAMPVZSXDY-UHFFFAOYSA-N	306.366	1.384	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccncc2)ccc1[N+](=O)[O-]	193510876	VBNAGQBPSJLUTO-UHFFFAOYSA-N	315.289	1.765	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)Cc2ccncc2)c1C	81026410	CMHBYJBXZLRPAK-UHFFFAOYSA-N	314.345	1.233	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CCCN(C)CC2)cc(C#N)n1C	193334404	XHKIPQONNDAEJE-DHDCSXOGSA-N	311.389	1.276	50	20	DDGD	
O=C(NNc1ccccc1OC(F)(F)F)[C@@]1(O)CCSC1	190185039	YHWBZKNXWKLDAP-LLVKDONJSA-N	322.308	1.896	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1c(F)cc(F)cc1F	91821998	SMBJBWHTQAXBHI-UHFFFAOYSA-N	323.365	1.576	50	20	DDGD	
CN(C)CCn1ccc(NC(=O)NNc2ccccc2F)n1	92765552	CLANLMBIBDJDFA-UHFFFAOYSA-N	306.345	1.732	50	20	DDGD	
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NNC(=O)c1ccc[nH]1	249752057	BIQRNZBRMZQDGP-NEPJUHHUSA-N	307.398	1.079	50	20	DDGD	
COC(=O)N(C)CC(=O)NNc1cccc(C(F)(F)F)c1	264137250	ZDNFLXKVBQHZMT-UHFFFAOYSA-N	305.256	1.847	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(OCCC(=O)NNC(=O)C2CC2)c1	265963918	YLBSUMRHDYSWSC-UHFFFAOYSA-N	307.306	1.230	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)s1	268127041	OMPGGQJDRSNRJN-CABZTGNLSA-N	322.434	1.483	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@H]2CSCCS2)n1	268077999	FIXHYBAGSXTXCG-JTQLQIEISA-N	313.452	1.568	50	20	DDGD	
CCN(CC)S(=O)(=O)NNC(=O)c1ccc2ccccc2n1	264724893	BVYYEXBCQALELH-UHFFFAOYSA-N	322.390	1.056	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cnc(-c2ncccn2)s1	264760317	MPGCTHMMMLVJKM-UHFFFAOYSA-N	303.347	1.161	50	20	DDGD	
CC(C)(C)n1ncc2c(O)nc(NNC(=O)NC3CCC3)nc21	269305188	WNJUZOOVPDBQJF-UHFFFAOYSA-N	319.369	1.466	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C/c1cccc(OCC(=O)O)c1	276244286	CMXOBFFMANXBST-MDWZMJQESA-N	309.343	1.839	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(CCC(=O)OC)cc1	273301131	BLAQRBIZRRUFBM-LLVKDONJSA-N	321.377	1.991	50	20	DDGD	
Cc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)N1CCN(C)CC1	278574743	IWFODPPXBSFOFN-LSDHHAIUSA-N	316.405	1.087	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2nccc(OC)n2)C12CCC2	369842164	KLYPLEQQMNSFAZ-WDEREUQCSA-N	321.381	1.459	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)C[C@@H]1CCCO1	270653618	AOZAMRLKEVHYBH-JTQLQIEISA-N	310.375	1.201	50	20	DDGD	
C[C@@H](CCc1cccn1C)NS(=O)(=O)CBr	271424686	RVXRBNIGVOOSNQ-VIFPVBQESA-N	309.229	1.618	50	20	DDGD	
CNS(=O)(=O)[C@@H]1CCN(CCO[Si](C)(C)C(C)(C)C)C1	367300206	MFBMRVCRLQIQMW-GFCCVEGCSA-N	322.547	1.632	50	20	DDGD	
CCCc1nnc(NC(=O)NNc2nccc(OC)n2)s1	274775647	CFIGSDBQNGTBBT-UHFFFAOYSA-N	309.355	1.438	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1ccc2c(c1)OCO2	272117926	RAXKHVKRHSGVLC-UHFFFAOYSA-N	314.363	1.161	50	20	DDGD	
CCN(CCCO)C(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	270207880	QHMNVUDEKMCSOW-RIYZIHGNSA-N	300.362	1.343	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2COc3ccc(C)cc32)n1	371989168	YQCZBEZNXATREP-LLVKDONJSA-N	315.333	1.553	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CN2CCCCCC2=O)c1	272539053	CIXVXWJYXNRFQO-UHFFFAOYSA-N	319.361	1.319	50	20	DDGD	
CC1(C)[C@H]2OCCC[C@H]2[C@H]1NC(=O)NNC(=O)c1ccc[nH]1	371099872	NIAOSYBPUQIYNF-WCQGTBRESA-N	306.366	1.162	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2(C#N)CCC2)cc1C	281078707	FUUPKYKBUFCZEU-UHFFFAOYSA-N	314.345	1.083	50	20	DDGD	
COCCCONC(=O)NNc1ccc(OC(F)F)cc1	288013261	MHIJVUPFNLUFEF-UHFFFAOYSA-N	305.281	1.882	50	20	DDGD	
Cn1ncc2c1C[C@H](C(=O)NNc1ccccc1[N+](=O)[O-])CC2	281036777	CULZEYLGOJTQQJ-SNVBAGLBSA-N	315.333	1.577	50	20	DDGD	
N#C/C(=C\c1cccc(OCC(=O)O)c1)S(=O)(=O)NC1CC1	280138479	YSPRECLSCXQDCI-NTUHNPAUSA-N	322.342	1.096	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@]1(O)CCc2ccccc2C1	376092371	MADSKFLNZYGXDV-KRWDZBQOSA-N	323.356	1.092	50	20	DDGD	
Cn1nc([C@H]2CCCO2)cc1NC(=O)NNc1ncccc1F	287010110	CUQBFDQBZFCWOV-LLVKDONJSA-N	320.328	1.954	50	20	DDGD	
CCCC[C@@H](NC(N)=O)C(=O)NNc1ccc([N+](=O)[O-])cc1C	288857607	XGHLYVSCKJROKU-GFCCVEGCSA-N	323.353	1.573	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc(C(=O)O)c(C)c1	285180680	RJLYHINPPPSLSU-MRVPVSSYSA-N	314.363	1.049	50	20	DDGD	
CC(C)Oc1ncccc1C(=O)NNC(=O)Cc1ccncc1	285647267	ZNOCNEXULWZZMJ-UHFFFAOYSA-N	314.345	1.268	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CC[C@H](O)C12CCCC2	292390430	BTOXFAAFXWFORS-AWEZNQCLSA-N	317.389	1.729	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)O1	293915174	APORXNQWFWNGAB-FNYBSCSFSA-N	324.327	1.783	50	20	DDGD	
CC(C)(CCCO)CNC(=O)NNc1ncc(F)cc1F	297255428	JPLNQRYKHGVVAC-UHFFFAOYSA-N	302.325	1.785	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCCOC(F)F)n1	801071352	FDHJCJSNFKJTQJ-UHFFFAOYSA-N	305.285	1.049	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccnc(N2CCC[C@@H](C)C2)c1	291055598	AEXPQRNASLINHL-GFCCVEGCSA-N	319.409	1.624	50	20	DDGD	
O=C(NCc1cnn2ccccc12)NNc1nc2ccccn2n1	807465117	DWKBEMOHHFYOPD-UHFFFAOYSA-N	322.332	1.203	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	803395493	MNVKQCAKZOXIOK-UHFFFAOYSA-N	316.317	1.772	50	20	DDGD	
COCCCn1nccc1C=NNC(=O)NC1CCCCC1	802705073	SYUGRBDIEIVDLR-UHFFFAOYSA-N	307.398	1.885	50	20	DDGD	
C[C@@H]1CC[C@@H](C(=O)NNC(=O)CNC(=O)c2ccco2)C[C@H]1C	294559158	NGFLGXJXYTVMSH-IJLUTSLNSA-N	321.377	1.229	50	20	DDGD	
CN(C)c1cc(C#N)cc(C(=O)NNC(=O)c2cccn2C)c1	814377850	DUOPEXVMIIBCFN-UHFFFAOYSA-N	311.345	1.038	50	20	DDGD	
CC(=NNC(=O)Cc1ccncc1)c1csc(C(=O)O)c1	814862432	KLACDCYAJWFZPJ-UHFFFAOYSA-N	303.343	1.924	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@H]1CCCC12OCCO2	816339383	XLXWUKOFISIGIU-LLVKDONJSA-N	310.325	1.821	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2c[nH]c(C(F)(F)F)c2)n1	816046984	RGXBVASHSNIYPJ-UHFFFAOYSA-N	320.662	1.816	50	20	DDGD	
COc1ccc(CCC(C)=NNC(=O)c2ccnnc2)cc1O	817340185	JXECBZCCZDOULM-UHFFFAOYSA-N	314.345	1.929	50	20	DDGD	
COc1ccc(NC(=O)NN=C(C)CN2C(=O)CCC2=O)cc1	814998427	JCEJHSBXBYITIG-UHFFFAOYSA-N	318.333	1.342	50	20	DDGD	
Cc1nsc(C)c1C(=O)NNc1ccc(-n2ccnc2)nn1	816659879	FKZOCPUKTSPUKO-UHFFFAOYSA-N	315.362	1.493	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(C(C)(F)F)cc1	815506310	SUKQJOASXPWGRA-UHFFFAOYSA-N	308.288	1.905	50	20	DDGD	
Cc1cccc2c(C(=O)NNC(=O)C(=O)NC(C)C)coc12	819029116	ODSOKTOMZSFOIG-UHFFFAOYSA-N	303.318	1.027	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC[C@H](N2CCOCC2)CC1	819658055	HQFUZRUUHCLBBU-PLFFATQSSA-N	307.394	1.144	50	20	DDGD	
C=CCCCCCCCNC(=O)NNC(=O)c1cnn(C)c1	811927796	OOXPFDWVIAKYMW-UHFFFAOYSA-N	307.398	1.891	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=S)NCC2CCC2)cn1	727865865	CPGAJGHFZPNRED-UHFFFAOYSA-N	307.423	1.057	50	20	DDGD	
Cc1cccc2c1O[C@@H](C(=O)NNC(=O)CC(F)(F)F)C2	825504139	QBZPLQJTVPRFTL-SECBINFHSA-N	302.252	1.398	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)s1	820069310	ZQHWLDGTZZBPSN-UHFFFAOYSA-N	308.367	1.125	50	20	DDGD	
Cc1cc(CC(=O)NNC(=S)NCCc2cccs2)on1	820171183	HOLFMHPQFREQHQ-UHFFFAOYSA-N	324.431	1.325	50	20	DDGD	
CC1=C(C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)CCC1	824851592	AVMGUTUDNPJTDL-UHFFFAOYSA-N	317.353	1.922	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC([C@](C)(O)C(F)(F)F)CC1	490880408	UVQNPKSLIYPGJA-XPSMFNQNSA-N	320.311	1.982	50	20	DDGD	
CCO[C@@H](C(=O)NNc1cccc(F)c1C(=O)OC)C1CC1	822735947	JXDKYNREWDBHCZ-CYBMUJFWSA-N	310.325	1.871	50	20	DDGD	
CC(C)CC(=O)N[C@@H](C(=O)NNC(=O)C(C)C)c1ccccc1	727365416	RXTADVYDLVKJRV-OAHLLOKOSA-N	319.405	1.693	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)CCc1ccc(OC)cc1	491661408	DRDUKIWMAARXGD-UHFFFAOYSA-N	310.357	1.608	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NC[C@@H]1CC1(Cl)Cl	728946765	BRDFIFVGDOKTMM-VIFPVBQESA-N	317.176	1.148	50	20	DDGD	
COC(=O)NNC(=O)c1[nH]c(-c2cccc(OC)c2)nc1C	495408782	UZUVHXZUHSXLOO-UHFFFAOYSA-N	304.306	1.395	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NN(C)[C@H](C)CO	823917996	PPXZHJZHSMBYJI-NEPJUHHUSA-N	317.430	1.366	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21	825973506	IRDGCGSANBVMOH-KGYLQXTDSA-N	303.362	1.828	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCC(=O)NC(C)(C)C)n1	728065358	ONAWGHODRRAXID-UHFFFAOYSA-N	308.386	1.024	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(OCC(=O)NNc2ccccc2)C1	492987980	AZLZACYMHPMPER-UHFFFAOYSA-N	321.377	1.766	50	20	DDGD	
COc1ccc(C=NNC(=O)c2cccn2C)c(OC)c1OC	725845656	DKAMGAYHUCWVAP-UHFFFAOYSA-N	317.345	1.815	50	20	DDGD	
CC[C@H](Nc1ccccc1)C(=O)NNC(=O)Cc1cccnc1	729863530	ZUGXEPOAAJLGIP-HNNXBMFYSA-N	312.373	1.662	50	20	DDGD	
CC(C)COC(=O)N1CCC(=NNC(=O)Cc2cc[nH]n2)CC1	495722814	XIPMKPOJVFBGLG-UHFFFAOYSA-N	321.381	1.313	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2c[nH]c3ncccc23)c1	728871340	WTACWLQSEDPNIF-UHFFFAOYSA-N	305.297	1.509	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(F)cc2ccoc12	909551607	FRAPVJSNZLCSEK-QMMMGPOBSA-N	322.292	1.675	50	20	DDGD	
Cn1cc(-c2ccc(C(=O)NNC(=O)NC3CCCC3)o2)cn1	825477000	GJTWWAFKKWXRRR-UHFFFAOYSA-N	317.349	1.567	50	20	DDGD	
CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)C1CCC1	823247414	ONGNUERYHNFXAO-LBPRGKRZSA-N	311.426	1.511	50	20	DDGD	
Cc1ccc(F)c(CN(C)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	827272456	AGKSEKZJSLGXJB-WCQYABFASA-N	323.368	1.732	50	20	DDGD	
Cn1c(=NNC(=O)[C@@H]2CC23CCNCC3)sc2ccccc21	826619261	YHINASPJBVXFKV-NSHDSACASA-N	316.430	1.561	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C2(O)CCC2)cc1F	822648626	DPENVMZMWWNBNA-UHFFFAOYSA-N	313.354	1.067	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)Oc1ccccc1	826002413	XIXDEGYQMZUZSK-YRGRVCCFSA-N	321.377	1.209	50	20	DDGD	
Cc1cnn(CCC(=O)NNc2ccccc2S(C)(=O)=O)c1	732303749	JQJKSBUSIBJRMI-UHFFFAOYSA-N	322.390	1.128	50	20	DDGD	
CN(NC(=O)[C@]1(F)CCN(C(=O)OC(C)(C)C)C1)C1CC1	497244277	OTWJZQIMJDYKRI-AWEZNQCLSA-N	301.362	1.461	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@@H]3C[C@@H]3C(=O)O)cc2C1	736804702	HEIVVZFDERGPDS-QNSHHTMESA-N	322.386	1.355	50	20	DDGD	
O=C(N1CC[C@H](B(O)O)C1)C1(c2ccc(F)cc2)CCCC1	585072898	SXBCGWJNGWJKKN-ZDUSSCGKSA-N	305.158	1.713	50	20	DDGD	
Cc1ccc(CN(C(=O)c2cc(B(O)O)ccc2F)C(C)C)o1	584931854	BBJPAXRRINRAJH-UHFFFAOYSA-N	319.141	1.458	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cc(F)c(OC)c(F)c1	901854645	KVSMTDNTIAFGCQ-ZETCQYMHSA-N	322.333	1.329	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2)c1ccc(Cl)nc1	837349326	JEJAAKYZYRSKOJ-SFGNSQDASA-N	307.737	1.111	50	20	DDGD	
CC(C)CC[C@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1	584961933	BZCNLELXXRZJPF-CQSZACIVSA-N	303.211	1.655	50	20	DDGD	
CC[C@H](C)OC(=O)/C(C#N)=C\c1cc(-c2nn[nH]n2)n(C)c1C	736323298	DFJVASOEXSIACB-TXEUWIOXSA-N	314.349	1.762	50	20	DDGD	
COC(=O)COc1ccccc1C=NNC(=O)[C@@H]1CCCCO1	901249610	DLNPDMISUQZSES-AWEZNQCLSA-N	320.345	1.258	50	20	DDGD	
COCCCNC(=O)NN=Cc1cc(Br)c[nH]1	834945828	FNJQVLPKUDGEPI-UHFFFAOYSA-N	303.160	1.447	50	20	DDGD	
C[C@@H](COc1ccc(F)cc1)NCc1ccc(B(O)O)cc1F	585017996	DJALTUJMXPHFIA-NSHDSACASA-N	321.132	1.202	50	20	DDGD	
CO[C@H]1CC(=NNC(=O)COc2ccc(C#N)cc2)C12CCC2	834921915	JWXPWWNVSGEVPR-HNNXBMFYSA-N	313.357	1.998	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)cc1F	836289561	JXYPMTKCFGPYDA-LBPRGKRZSA-N	311.313	1.556	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](CCC(C)C)NC(C)=O)nc1	832645768	LCEYNFTUNHBSSH-CYBMUJFWSA-N	308.382	1.474	50	20	DDGD	
O=C(O)[C@@H]1CC12CCN(CCCI)CC2	833771484	GVNKUZJIZLGQOG-VIFPVBQESA-N	323.174	1.998	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1ccc(F)cc1Cl	730552483	IYOFHNSMZRVZTO-UHFFFAOYSA-N	311.744	1.942	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1cccnc1Cl	732111821	SYNDEQBNJNGWMT-UHFFFAOYSA-N	316.708	1.937	50	20	DDGD	
CC(=NNC(=O)c1ncon1)c1ccc(OCCN(C)C)cc1	901285854	NATCFNVTUSXIEL-UHFFFAOYSA-N	317.349	1.164	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCC[C@@H](C)OC)c(F)c1	838186952	WUGSFTVWQRFFDW-SECBINFHSA-N	313.329	1.663	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)N[C@H]1C[C@H]2CCCCN2C1=O	836690292	IFGXAZNFRUCXEX-MNOVXSKESA-N	323.784	1.515	50	20	DDGD	
CN(C)CCCNC(=O)NNC(=O)Nc1ccc(Cl)cc1	837316951	KBMAWZSWUWRICX-UHFFFAOYSA-N	313.789	1.627	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@](C)(CO)c1ccccc1	732202310	MJBBMPPIWNVOIP-CXAGYDPISA-N	321.421	1.066	50	20	DDGD	
CCOc1ccc([C@H](C)NCc2ccc(B(O)O)o2)cc1OC	585015280	VULJOVWOMJQWDY-NSHDSACASA-N	319.166	1.218	50	20	DDGD	
COc1ccc(F)cc1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	831599959	WNMOBEFHLNAWCI-WCBMZHEXSA-N	311.313	1.412	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC(C)(C)C(C)(C)O)c1	838720116	NUNIFRZGNHQASC-UHFFFAOYSA-N	323.393	1.896	50	20	DDGD	
O=C(NN=Cc1ncc[nH]1)c1cccc(NN=Cc2ncc[nH]2)c1	731148993	DBGKJXZPNPHXOE-UHFFFAOYSA-N	322.332	1.343	50	20	DDGD	
CC[C@@H]1CCC[C@H]1CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1	838651080	RPIGUJRFDQQOSA-MBNYWOFBSA-N	317.455	1.194	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1ccc(N)cc1	916543811	VWOHXWVNQPSUSI-LBPRGKRZSA-N	304.394	1.077	50	20	DDGD	
CCC(F)(F)C(=O)NNC(=O)CSc1ccccc1OC	831417526	CUUVECBGMMFJPL-UHFFFAOYSA-N	318.345	1.980	50	20	DDGD	
CCc1c(C(=O)NN=c2sc3ccccc3n2C)cnn1C	916093999	CCGRUYADDDSXBJ-UHFFFAOYSA-N	315.402	1.781	50	20	DDGD	
CCN(CC)CCC(=O)NNC(=S)N[C@@H]1CCCC[C@@H]1C	916126831	LXNFCHCECBSDJJ-QWHCGFSZSA-N	314.499	1.792	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNC(=O)c2ccccc2O)cc1	740109917	MFWKCOYCNVFCOV-UHFFFAOYSA-N	300.270	1.165	50	20	DDGD	
O=C(NNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc[nH]1	916131594	KNMZDYSSAXXLCV-UHFFFAOYSA-N	314.257	1.744	50	20	DDGD	
Cc1ccc2cccc(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)c2n1	843651798	OXDCRIZFKCAFJH-WCQYABFASA-N	313.357	1.729	50	20	DDGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)[C@H]1CCc2nccn2C1	842246227	RDMOZQXWKQMAOO-VIFPVBQESA-N	319.296	1.636	50	20	DDGD	
O=C(NNC(=O)c1ccc2nc(O)oc2c1)NC1CCCC1	744053250	MGQCOCPVZBHOAU-UHFFFAOYSA-N	304.306	1.420	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NC[C@@H]2CC[C@H](C)O2)cc1	845251223	CLMJDSCOIRJTQC-FZMZJTMJSA-N	321.377	1.596	50	20	DDGD	
COC(=O)[C@H](NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccc(F)cc1	843288752	GOSRAWOLVUXSRK-OASPWFOLSA-N	310.325	1.086	50	20	DDGD	
Cc1ccc(C(=O)NN(C)C[C@H](C)O)cc1Br	910164551	VSJUHJDPWDQEEA-VIFPVBQESA-N	301.184	1.715	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2ccc(N3CCNC3=O)cc2)c1	748035836	VLFPSKSPMRYHHM-UHFFFAOYSA-N	321.340	1.845	50	20	DDGD	
COc1ccc(C(=O)NN=C[C@]2(OC)CCOC2)cc1OC	841603757	IMHJEHDVJBSFKZ-OAHLLOKOSA-N	308.334	1.225	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cnc2cc[nH]c2c1	912108102	PURNDQXIKUENLE-UHFFFAOYSA-N	303.391	1.472	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCNc1cnccn1	746161282	FBFDQYYIOOZVKC-UHFFFAOYSA-N	322.800	1.371	50	20	DDGD	
COCCCNC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	742710625	KQAKOHWAZOAZGK-UHFFFAOYSA-N	309.370	1.125	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCCc2cc(O)ccc21	748260416	SMSDNJGHZGZTGV-LLVKDONJSA-N	306.362	1.600	50	20	DDGD	
C=CCOc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	843643505	MSESZDVYDUBJOK-RISCZKNCSA-N	304.346	1.437	50	20	DDGD	
CCOCC1(C(=O)NNc2cc(O)nc3ncccc23)CC1	913989381	BRKQCSOKUWMYAX-UHFFFAOYSA-N	302.334	1.595	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1ccc(F)cc1	916363846	ZMRVDNBBHACZFH-LBPRGKRZSA-N	307.369	1.634	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NNc1ncc(Br)cn1	848319931	GLYDMKBWHPDEDJ-JGVFFNPUSA-N	301.144	1.107	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](C)C(=O)OC(C)(C)C)c1	840420124	QEBFAXQADOZJGY-SNVBAGLBSA-N	322.361	1.894	50	20	DDGD	
CCc1ncc(C=NNC(=O)CNc2cccc(OC)c2)cn1	841614178	GTNHAVUAPIKJTB-UHFFFAOYSA-N	313.361	1.610	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1CCCc2cccnc21	927380019	YFVNDBHWRWMEBN-RAIGVLPGSA-N	318.377	1.214	50	20	DDGD	
C[C@@H](Cc1ccc(C#N)cc1)C(=O)NNC(=O)[C@H]1CCCCO1	847061925	MNOSKVHWBDZLGJ-SWLSCSKDSA-N	315.373	1.453	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cnn(Cc2ccccc2)c1	842555116	JPXGZUBNJHMUSX-XJKSGUPXSA-N	312.373	1.807	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2[C@H]3CCCO[C@H]3C2(C)C)n1	743430063	DVTQQCUKFNEXEG-IUODEOHRSA-N	304.394	1.807	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)c2ccccc2F)CCCNC1	841970096	JGJUPFAFAWFWMN-HNNXBMFYSA-N	308.357	1.159	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)Cc1c(C)nc(C)nc1O	846642654	FMCBLKJINUABBV-UHFFFAOYSA-N	320.324	1.633	50	20	DDGD	
CO[C@@H](C)CNC(=O)NNC(=O)Nc1cc(F)cc(F)c1	852531330	JXZVGOZVYJUIEB-ZETCQYMHSA-N	302.281	1.335	50	20	DDGD	
CC[C@@H]1CN(C(=O)NNC(=O)c2cc(C)cs2)C[C@@H](C)O1	858705393	FEIMWEIVXVKGGB-GHMZBOCLSA-N	311.407	1.910	50	20	DDGD	
COC1(C(=O)NNc2nc(O)c3ccccc3n2)CCCC1	754262724	RHWAUDDKSFSAAQ-UHFFFAOYSA-N	302.334	1.738	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC1	855103364	RITVANOQTBHZMW-ZETCQYMHSA-N	324.362	1.208	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CC=C(C(F)(F)F)CC1	757119564	BNRUIAIOBXVQFV-JTQLQIEISA-N	321.343	1.763	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)C[C@H]2CC2(C)C)cc1	852773049	UZDPEKCRFDESNT-CQSZACIVSA-N	303.406	1.734	50	20	DDGD	
COc1cccc2c1CCN(C(=O)NNC(=O)C1CCCC1)C2	753355348	PDDDCPTZEQXFRA-UHFFFAOYSA-N	317.389	1.984	50	20	DDGD	
CN1C(=O)CCc2cc(C(=O)NNC(=O)C3CCCC3)ccc21	758394743	WYDHOEWDODOJFE-UHFFFAOYSA-N	315.373	1.547	50	20	DDGD	
COCCN(C[C@H](CBr)C1CC1)[C@H](C)C(N)=O	859131564	WPIZNIQVWMWJBS-KOLCDFICSA-N	307.232	1.230	50	20	DDGD	
CC(C)CO[C@@H]1CCN([C@@H](C)C(=O)NNC(=O)CC(C)C)C1	759399921	HGYIFGQOQKGSLX-UONOGXRCSA-N	313.442	1.315	50	20	DDGD	
CC1(C)C(=NNC(=O)N[C@H]2CCS(=O)(=O)C2)[C@H]2CCC[C@H]21	853292023	NJMDCNLBBRSVQV-GARJFASQSA-N	313.423	1.285	50	20	DDGD	
CSCC(C)(C)C(=O)NNC(=O)c1cccc(Cl)n1	857325045	QMZAJVVHWDTYJQ-UHFFFAOYSA-N	301.799	1.885	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)[C@H](C)Oc1ccccc1F)C1CC1	858144441	QJZKJJLWZSHETL-IINYFYTJSA-N	324.352	1.556	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)[C@]2(C)CC=CCC2)C[C@@H](C)O1	856758911	PORQNAQATQUWSS-JKIFEVAISA-N	323.437	1.380	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)N2CCCCC2)C[C@@H]1Br	856756016	IFDLCSXCXMKXOS-UWVGGRQHSA-N	311.245	1.480	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)C34CCC(CC3)C4)nc21	752371701	MTAMNIPHEJXIKK-UHFFFAOYSA-N	302.338	1.092	50	20	DDGD	
C[C@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)c1ccccc1	752371052	IGOBOTUFHHUDLY-VIFPVBQESA-N	312.333	1.316	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H]1CC(=O)c2ccccc21)C1CC1	855100011	SFTKHOCSQZACHI-ZANVPECISA-N	317.414	1.650	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cnc2cccc(C)n12	755632677	VPPXWQBGRUSXPH-UHFFFAOYSA-N	314.374	1.754	50	20	DDGD	
CC1=NO[C@@H](C(=O)NNC(=O)Cc2c[nH]c3ccccc23)C1	854218850	IRMQQVOJXRSGKW-CYBMUJFWSA-N	300.318	1.023	50	20	DDGD	
C[C@@]1(CNC(=O)N2[C@H]3CCNC[C@H]2CC3)C[C@@H]1Br	857105670	PKGNOXPUFCUMPN-DCQANWLSSA-N	316.243	1.696	50	20	DDGD	
CO[C@H](CNC(=O)NNc1ncncc1F)C1CCCCC1	852681346	OKLVWXWSLMGHDQ-GFCCVEGCSA-N	311.361	1.837	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]21	854479465	UJNPSOANQWJZBQ-BBBLOLIVSA-N	307.221	1.943	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cc2c(cc1O)OCO2)C1CC1	855097955	BVLJQNFSLHZJRT-SSDOTTSWSA-N	323.374	1.028	50	20	DDGD	
C[C@H](Oc1cccnc1)C(=O)NNC(=S)N[C@@H](C)C1CC1	751618807	PXPXJTOLBXEZNL-UWVGGRQHSA-N	308.407	1.143	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1	854924766	QVRACIJNYRDOKQ-ZDUSSCGKSA-N	324.425	1.257	50	20	DDGD	
CC1=NO[C@@H](C(=O)NNc2cc(C#N)ccc2Br)C1	855617167	DJZBVXJWVZAOEG-LLVKDONJSA-N	323.150	1.929	50	20	DDGD	
Cc1ccc2c(c1)CN(C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)CC2	852394506	TWERDMJEQZVIJM-IUODEOHRSA-N	317.389	1.519	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)C1(C(C)C)COC1	935844894	IOJVIRDSQRYWKB-UHFFFAOYSA-N	310.325	1.728	50	20	DDGD	
Cc1cc(C)c(C(=O)OCC(=O)NNC(=O)c2cccs2)o1	750401125	INEAODQGYLWZRK-UHFFFAOYSA-N	322.342	1.576	50	20	DDGD	
Cc1nnc(-c2ccc(NC(=O)NNC(=O)CC3CC3)cc2)o1	756834715	JBWVGQYUOXYMBE-UHFFFAOYSA-N	315.333	1.998	50	20	DDGD	
C[C@](NC(=O)NNC(=O)c1ccncc1)(C1CC1)C(F)(F)F	933580954	WRHXCSOYXNIESV-LBPRGKRZSA-N	316.283	1.757	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2cc(F)cc(C(F)(F)F)c2)N1	863147183	AIVKYZIQWQNRIV-SNVBAGLBSA-N	317.242	1.573	50	20	DDGD	
COc1ccc(C)cc1CC(=O)NNc1nccnc1OC	764482436	VTPFZADIDLNGPZ-UHFFFAOYSA-N	302.334	1.488	50	20	DDGD	
COC[C@H]1CCCN1NC(=O)[C@H](Br)C(C)(C)C	862594899	NJGHHJOOOOBNPZ-ZJUUUORDSA-N	307.232	1.938	50	20	DDGD	
COCCC(=NNC(=O)c1ccc(N)cc1)C1CCOCC1	764885627	LKIKRVCMHAHTDL-UHFFFAOYSA-N	305.378	1.818	50	20	DDGD	
Cc1nnc(NNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)nc1O	768688818	DTCWDPUVYLUDBG-UHFFFAOYSA-N	324.684	1.204	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1[N+](=O)[O-])c1ccnn1C	765994736	JUVKTHPPNMZJNR-UHFFFAOYSA-N	317.305	1.248	50	20	DDGD	
CCC(CC)N1C[C@@H](C(=O)NN=c2cc[nH]c(C)c2)CC1=O	862510791	TURZRMZSGXHGGJ-LBPRGKRZSA-N	304.394	1.292	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H](C)c2c(F)cccc2F)n[nH]1	869015674	VINGRGMJZURTCD-VIFPVBQESA-N	322.315	1.490	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc[nH]1	862509844	VOWSGBDLSPRPHX-GFCCVEGCSA-N	302.378	1.046	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cnn(C(F)F)c1	869454981	LYHUNAAFDDWIHH-UHFFFAOYSA-N	308.157	1.710	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)CCN1C	763925164	YMKYYANUXAWVOA-AUUDPHHASA-N	319.449	1.690	50	20	DDGD	
CC(=NNC(=O)c1nnc(-c2ccccc2)o1)c1ccnn1C	766015036	WNFGGEGZLPIFKG-UHFFFAOYSA-N	310.317	1.624	50	20	DDGD	
CC(CSc1ccccc1[N+](=O)[O-])=NNC(=O)CN(C)C	765570924	DOGSWNWPDSXWSE-UHFFFAOYSA-N	310.379	1.741	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@H](C)C(=O)NN[C@H](C)C(F)(F)F	862313338	FRQPCNUGFMONII-OIBJUYFYSA-N	306.332	1.787	50	20	DDGD	
CCC(C)(CC)C(=O)NNC(=O)CNC(=O)OC(C)(C)C	768392770	VGNYGCHVDKTQIF-UHFFFAOYSA-N	301.387	1.485	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NNC(=O)c1ccc(Cl)cc1	862993580	PAZDZIXPQXGDQB-LBPRGKRZSA-N	309.797	1.974	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(C)c(N2CCOCC2)c1	864429948	HTEMBGQUBSIWTN-UHFFFAOYSA-N	307.350	1.223	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNc1ccnc(Br)c1	867472955	GXVIRBDBNFIGPS-VIFPVBQESA-N	315.171	1.202	50	20	DDGD	
Cc1ccccc1C[C@@H](C)C(=O)NNC(=O)[C@H]1CCCCO1	861854699	ZZMMMTGANJLKER-UKRRQHHQSA-N	304.390	1.890	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCSC1)c1cc(-c2ccccc2)[nH]n1	762134156	WZFHKPRQNLUDDH-LLVKDONJSA-N	316.386	1.591	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21)[C@H]1CCCCO1	861854321	VYKRKTNALDMADG-APIJFGDWSA-N	300.358	1.289	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)Nc1cccc2cccnc12	764144614	YJLWYDJPFDXUPL-UHFFFAOYSA-N	312.329	1.121	50	20	DDGD	
C#CCOc1cccc(Cl)c1C=NNC(=O)[C@H]1CCC(=O)N1	863153125	NEWDONVQFBFERL-GFCCVEGCSA-N	319.748	1.081	50	20	DDGD	
C=CCOc1cc(OC)ccc1C(=O)NNC(=O)NCC1CC1	767319989	FIYWXPYMPXKLQP-UHFFFAOYSA-N	319.361	1.614	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccccc1Cn1cccn1	1116179155	FHBZIWRKLINMBQ-UHFFFAOYSA-N	317.418	1.449	50	20	DDGD	
CCc1noc(C)c1C(C)=NNC(=O)C(=O)NC(CC)CC	769821588	ZQMOVOFTASVOJB-UHFFFAOYSA-N	308.382	1.690	50	20	DDGD	
COCCC1(CNC(=O)NNC(=O)CC(F)(F)F)CCC1	761781829	WYEPXRFPLSDZLK-UHFFFAOYSA-N	311.304	1.476	50	20	DDGD	
COC(=O)CCCC(=O)NNC(=S)Nc1cccc(C)c1	873775640	NIGMDDNYBHLLIG-UHFFFAOYSA-N	309.391	1.656	50	20	DDGD	
CCOc1ccc2nc(CCNC(=O)CCl)nc(O)c2c1	871601436	LNJXVSBUHREFKE-UHFFFAOYSA-N	309.753	1.632	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)C2CCN(C)CC2)c1	873755418	JWUCGWDXCIYPNR-UHFFFAOYSA-N	320.462	1.963	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1cc(F)ccc1O	777900148	IGMSLSKAGDJJSO-UHFFFAOYSA-N	311.313	1.506	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cc([N+](=O)[O-])ccc1N	772853807	IZHBXCDGWMZKED-UHFFFAOYSA-N	316.321	1.847	50	20	DDGD	
CCOC(=O)NCC(=O)NNC(=S)Nc1ccc(C)cc1C	873757819	BWRHMNJHMCAYHS-UHFFFAOYSA-N	324.406	1.367	50	20	DDGD	
COCCOCC(=O)NN=Cc1cc(Cl)cc(OC)c1O	872401413	TZKUNWFZFKAYEH-UHFFFAOYSA-N	316.741	1.167	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CCc1nc(N(C)C)no1	772834486	UJZPILXEWVUFJS-UHFFFAOYSA-N	319.369	1.125	50	20	DDGD	
COCCNC(=S)NNC(=O)c1nc2ccccc2s1	871691548	XFSBQLYVPGZIAD-UHFFFAOYSA-N	310.404	1.052	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)Nc2ccncn2)cc1	770763034	KVXBTTOXNDADOK-UHFFFAOYSA-N	317.374	1.730	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccccc2)c(OC)n1	775334281	YQNHOYQDUBZRKH-UHFFFAOYSA-N	316.317	1.565	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCCn1ccc(C(F)(F)F)n1	871598038	DIXXSMIHSMNTBK-HJWRWDBZSA-N	302.256	1.462	50	20	DDGD	
O=C(/C=C/c1ccc(O)c(O)c1)NNC(=O)NCc1ccco1	779504094	ZGNFKWVRIIHNGB-GQCTYLIASA-N	317.301	1.235	50	20	DDGD	
Cn1c(Cl)nc(Cl)c1C=NNC(=O)C1CCOCC1	1119303264	PEIPJBPLTZIPHB-UHFFFAOYSA-N	305.165	1.604	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(C)[C@H](C)C2(C)CC2)c1	777597750	GTZOPAUXYIFIPT-CYBMUJFWSA-N	303.406	1.876	50	20	DDGD	
CCCCn1cc(CNC(=O)NNc2ncccn2)c(C)n1	774292759	VFYXRSGYAJKNIA-UHFFFAOYSA-N	303.370	1.608	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@H](C)c1c(C)n[nH]c1C	772214062	WQAXSLBRRJCXLO-GZMMTYOYSA-N	324.381	1.009	50	20	DDGD	
CCn1nc(C(=O)OC[C@H](C)CBr)ccc1=O	770368034	IFUTWOPIVXVZDD-MRVPVSSYSA-N	303.156	1.451	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cncc(Br)c1	887139664	YECYJEIAKZURGH-UHFFFAOYSA-N	310.151	1.409	50	20	DDGD	
CC(C)[C@@H]1C[C@H](NC(=O)NNc2ccc(C#N)cn2)CCO1	888745739	AQXXPFNARDYLKY-OLZOCXBDSA-N	303.366	1.783	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(N2CCCCC2)c(F)c1	881191720	ZJZZEORPTACBEI-UHFFFAOYSA-N	324.356	1.615	50	20	DDGD	
Cc1ccc(F)cc1C=NNC(=O)[C@H](C)CN1CCOCC1	777879127	HJRVYHXIPBJIQL-CYBMUJFWSA-N	307.369	1.553	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@](C)(O)[C@@H](C)c1ccccc1	887144460	NSKUUGKGMDNODM-SUMWQHHRSA-N	302.374	1.492	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)NNc1c(F)cc(F)cc1F	885155529	VLKSCUMWZOPWCP-SNVBAGLBSA-N	301.268	1.558	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(C)C[C@H]1CCN1C(=O)OC(C)(C)C	887296177	WRJVQERRXPONHV-YLGBQOPLSA-N	323.393	1.898	50	20	DDGD	
O=C(N[C@H]1C[C@H](CO)C1)[C@@]12CC[C@@H](C[C@@H]1Br)C2	886891482	WGUGWVWHUJFBNN-CCJOIDDDSA-N	302.212	1.827	50	20	DDGD	
CCO[C@@H]1C[C@H](NS(=O)(=O)CCCCl)[C@]12CCCO2	882066080	AONBWUKUYLTBHC-QJPTWQEYSA-N	311.831	1.261	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1ccc(N2CCOCC2)c(F)c1	785466335	RMSWVPLIECSSEP-UHFFFAOYSA-N	323.368	1.273	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@@H]1COc2ccccc2O1	781805133	NFRUVCHRJGYRTK-NSHDSACASA-N	306.709	1.413	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)C1CCOCC1)C(=O)c1ccccc1	883063079	CHILCBOYEKTFOM-GFCCVEGCSA-N	318.373	1.470	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)/C=C/c1nccs1	1123727365	LKLRRFSQTSDGRJ-VOTSOKGWSA-N	313.379	1.093	50	20	DDGD	
C[C@@H](CN1CCOCC1)OC(=O)/C(C#N)=C\c1ccc(O)cc1	782280055	HZVPVHKPOSWMOT-OJNRTJSBSA-N	316.357	1.563	50	20	DDGD	
C[C@@H]1CN(C(=O)COC(=O)/C(C#N)=C\c2ccccc2)CCO1	785347847	HXEMSWYEGGDOLV-MLJKTZRHSA-N	314.341	1.384	50	20	DDGD	
COC[C@H](C)NC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	890159579	VXDNAFANCMFBFJ-WCQYABFASA-N	323.393	1.436	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cccnc2OC)c1	780792167	PVRFGTVPICCCCJ-UHFFFAOYSA-N	301.302	1.634	50	20	DDGD	
C[C@H](OC(=O)/C(C#N)=C\C1CC1)C(=O)NC(=O)NC(C)(C)C	786676223	QBEZBHWOTMBXPC-MKVDPYIPSA-N	307.350	1.402	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCC2CC2)c(-c2ccoc2)n1	789909820	JBHIMABIECXHOY-UHFFFAOYSA-N	303.322	1.034	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H]2Cc3ccccc3CN2)nn1	892808745	PTJUBKVGVUZKMW-CQSZACIVSA-N	312.377	1.126	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cnccc2C)cc1	783034747	HAROXGHSTCEDRB-UHFFFAOYSA-N	300.318	1.480	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCCOC[C@H]1CCOC1	787341983	ZDKIPLBUZKDMIF-AHSSXEFNSA-N	316.357	1.468	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cnnn1-c1cccc(F)c1	789894725	IFSFMWLRMXBDGK-UHFFFAOYSA-N	317.324	1.358	50	20	DDGD	
COc1cc(C=NNC(=O)C(C)C)ccc1OCCC(=O)O	783812182	OZWALIJPFRPUGP-UHFFFAOYSA-N	308.334	1.655	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@@H]1CCCc2c(O)cccc21	789832143	YMZNATQZICMHGJ-GFCCVEGCSA-N	302.309	1.885	50	20	DDGD	
CCn1cccc(CNC(=O)NNc2cccc(OC)n2)c1=O	789841118	DCBMBLCYSBZIQQ-UHFFFAOYSA-N	317.349	1.098	50	20	DDGD	
Cc1[nH]nc(C(F)(F)F)c1C(=O)NNC(=S)NC(C)(C)C	899996764	RMXNYVLRKLNTJX-UHFFFAOYSA-N	323.344	1.644	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc(O)nc(C3CC3)c2)n1	794086205	FYUMUYQJLFHPBA-UHFFFAOYSA-N	312.329	1.443	50	20	DDGD	
Cc1cccc(CCNC(=O)NNc2ncncc2Cl)n1	793120695	FMMBIJCIBFRGMP-UHFFFAOYSA-N	306.757	1.702	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CN2CCC(F)(F)CC2)c1	796541109	PASLSYICRCWYNO-UHFFFAOYSA-N	322.315	1.050	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)C2=CCOCC2)o1	793185070	GJBBHPWDMWOVJG-UHFFFAOYSA-N	321.377	1.229	50	20	DDGD	
CCc1ccccc1OCC(=O)NNS(=O)(=O)c1ccoc1	795281487	XZKCEBMDTFYGRX-UHFFFAOYSA-N	324.358	1.231	50	20	DDGD	
CN(NC(=O)c1ccc(-c2noc(C(F)F)n2)cc1)C(N)=O	798301705	GBGJIMROMGYRFQ-UHFFFAOYSA-N	311.248	1.330	50	20	DDGD	
CC(C)(C)OC(=O)c1cccc(/C=C(/C#N)S(N)(=O)=O)c1	799894247	QBEMLJFINOEWTE-WQLSENKSSA-N	308.359	1.795	50	20	DDGD	
CC(=NNC(=O)C[n+]1ccccc1)c1ccc(F)cc1N(C)C	794456898	KUUQXDLSFICXAS-UHFFFAOYSA-O	315.372	1.720	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(C(F)(F)F)nn1)n1ccnc1	1319586306	PVITZJSCMWDTIN-SSDOTTSWSA-N	300.244	1.396	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccccc2Cl)cc(O)n1	1319983722	LTXMVINLKIQCJU-UHFFFAOYSA-N	305.721	1.824	50	20	DDGD	
O=C(NNc1cncc(Br)c1)C1=COCCO1	1319529890	UMCKHEBILVXLOH-UHFFFAOYSA-N	300.112	1.175	50	20	DDGD	
Cc1noc(C)c1C(=O)NNc1nc(-c2cccnc2)no1	1318397098	YRXSZUWMEORSJI-UHFFFAOYSA-N	300.278	1.493	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H](c1ccccc1)C(C)(C)C	1318877432	RMGVNYMRBWVRKY-NSHDSACASA-N	307.350	1.277	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)N[C@H]1C=CCCC1	1329883684	GQXGLGITLMFANO-VIFPVBQESA-N	312.171	1.974	50	20	DDGD	
C#CCN(CC1CC1)C(=O)NNC(=O)Cn1ccc2ccccc21	1320120274	PKHSYCCHMTUWOW-UHFFFAOYSA-N	324.384	1.727	50	20	DDGD	
CCc1onc(C)c1NC(=O)C(=O)NNc1ncncc1Cl	1324306842	FSJUXAWUBWXCID-UHFFFAOYSA-N	324.728	1.071	50	20	DDGD	
CC(C)COc1cccc(OCC(=O)NNc2ccn(C)n2)c1	1326193844	PWVAZHDKHKCSST-UHFFFAOYSA-N	318.377	1.977	50	20	DDGD	
Cc1coc2ccc(NC(=O)NNC(=O)C3CCNCC3)cc12	1325282931	RNXAHGBBIDFSLR-UHFFFAOYSA-N	316.361	1.894	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1CCCCN1Cc1ccncc1	1320279749	YSHWPETZUDJXPM-AWEZNQCLSA-N	319.409	1.129	50	20	DDGD	
COC(=O)c1ccc(CCC(=O)NNC(=S)NC(C)C)cc1	1338768592	FIJZCMQOCDQIGA-UHFFFAOYSA-N	323.418	1.310	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](Cn1cccn1)c1ccccc1	1332957719	PJFYUTNZVYSFJR-CYBMUJFWSA-N	317.349	1.537	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNC(=S)Nc2ccccn2)nn1	1348985464	LCQVCLHMSWNLKU-UHFFFAOYSA-N	319.394	1.060	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)N[C@H]1CCOC1=O	1346525223	YGBNNDUEVVHKFX-QMMMGPOBSA-N	321.230	1.786	50	20	DDGD	
CN(C)C(=O)[C@@H]1CCCN(C(=O)[C@]2(C)C[C@H]2Br)C1	1347346384	UPBLQSGPWSDUHG-GIPNMCIBSA-N	317.227	1.487	50	20	DDGD	
C#CCN(C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br)C(C)C	1354829980	BNWFGVSYCUNBFQ-ZWNOBZJWSA-N	315.211	1.146	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H]2CCOC2)c1C	1350474908	WFFCVRAUYAMYJZ-LLVKDONJSA-N	307.350	1.444	50	20	DDGD	
C[C@@H]1CCCN1c1nnnn1C[C@]1(C)C[C@H]1Br	1355982599	AXTLAOLBIHMGTC-KKZNHRDASA-N	300.204	1.835	50	20	DDGD	
C[C@@H]1C[C@@H]2CC[C@H](C(=O)NNc3nc4ccccn4n3)CN2C1	1528267698	LXJMJBWBFQWZRQ-AGIUHOORSA-N	314.393	1.293	50	20	DDGD	
N#CC1(CNC(=O)NNc2ccc(F)c(F)c2)CCOCC1	1521287047	QYMSWNRMRGLOKW-UHFFFAOYSA-N	310.304	1.911	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@H]2CCCN(C3CC3)C2=O)c1	1602448880	WMSHYBQZPWDQTP-ZDUSSCGKSA-N	317.345	1.229	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc(C(=O)O)cn2)n1	1607959200	GWWHKFJRDHYXHT-UHFFFAOYSA-N	307.697	1.289	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2nccnc2Cl)c(F)c1	1602324718	ZJIJRNVSKPTWSZ-UHFFFAOYSA-N	310.672	1.724	50	20	DDGD	
CCO[C@H](C(=O)NNc1cccc(C(=O)O)c1)[C@@H]1CCOC1	1605586272	BPUSJBNKWRJGSQ-YPMHNXCESA-N	308.334	1.270	50	20	DDGD	
O=C(CCCn1ccc(C(=O)O)n1)NNc1c(F)cccc1F	1608306948	YFILCQHZKGZYND-UHFFFAOYSA-N	324.287	1.783	50	20	DDGD	
O=C(O)Cc1cn([C@@]2(Cl)C[C@@H]2CCBr)nn1	1602149060	GDHXOHRFIUVVED-RCOVLWMOSA-N	308.563	1.602	50	20	DDGD	
O=C(Cc1ccccn1)NNC(=O)Nc1cc(C(=O)O)cs1	1601369618	FHXKPEBEYCLSNJ-UHFFFAOYSA-N	320.330	1.237	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@H]1CC[C@@H](C(=O)O)C1	1606526013	FVSLZTIPWHVHJG-DTWKUNHWSA-N	324.308	1.556	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)Nc2cccc(CC(=O)O)c2)CCCO1	1603292431	KJCNJHZSMOIVSV-OAHLLOKOSA-N	321.333	1.036	50	20	DDGD	
Cc1nc(SCCC(=O)NNc2cccc(C(=O)O)c2)n[nH]1	1610574263	XSIHKQUSZAEPNE-UHFFFAOYSA-N	321.362	1.437	50	20	DDGD	
O=C(NN=Cc1cccc2cc[nH]c12)[C@@H]1CN2CCC[C@H]2CO1	1549318210	ANXLFNQLWFWAHE-GJZGRUSLSA-N	312.373	1.481	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2ccc(C(=O)O)cn2)CCCC1	1610013863	CHZHTMVCSZYTLA-UHFFFAOYSA-N	321.333	1.346	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@H](N)CC2CC2)c1	1578420831	XLNJCAUGMXLETN-CYBMUJFWSA-N	305.382	1.351	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC([C@@H]2OCCC[C@H]2N)CC1	1578100451	UVGICXPVXGEBLT-ZDZFUCEFSA-N	307.394	1.175	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)C[C@@H](N)C(F)F	1578506250	IWNZMXJWMYLBJK-SNVBAGLBSA-N	301.293	1.269	50	20	DDGD	
CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](F)Cl)CC2)CC1	1837755510	IDCBRGRJIJKWEF-CYBMUJFWSA-N	320.792	1.539	50	20	DDGD	
O=C(NCC(Cl)Cl)c1cn([C@H]2CCCNCC2)nn1	1580628113	KFGSIFFCEAZKCZ-QMMMGPOBSA-N	306.197	1.126	50	20	DDGD	
O=C(NNc1cccc(C(F)(F)F)c1)C1=NOC2(CNC2)C1	1580739706	LTOMDCSBBYSXRD-UHFFFAOYSA-N	314.267	1.267	50	20	DDGD	
CC(=O)C(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](F)Cl	1847720229	HTXWZNNYGDFWHM-GARJFASQSA-N	318.776	1.338	50	20	DDGD	
CC(C)[C@@]1(C)C[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1589490528	KMWJPSYFKCXWDB-IINYFYTJSA-N	301.354	1.387	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNc2cccc(C(=O)O)c2C)C1	1596986567	YIHLYROUHTXBNK-PHIMTYICSA-N	307.350	1.887	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H](C(=O)O)C(C)C)cc1C	1594373660	QOVNPXQFPSTOCI-GFCCVEGCSA-N	323.418	1.978	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc(C)c(-c3nn[nH]n3)c2)n1	1591957834	MHNKWDKUTOJFPO-UHFFFAOYSA-N	324.348	1.339	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(C(C)C)cc1C(=O)O	1594712535	QPFSLHTWIAOCFD-UHFFFAOYSA-N	321.333	1.004	50	20	DDGD	
CN(NC(=O)[C@H]1CC[C@@H](CCC(=O)O)O1)C(=O)OC(C)(C)C	1598540974	ITXZHLATSHMFPN-VHSXEESVSA-N	316.354	1.297	50	20	DDGD	
CC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)CN	1795957807	DIAGKSJWIWIZQY-WJTVCTBASA-N	315.845	1.237	50	20	DDGD	
O=C(CCC(=O)c1ccccc1)NNC(=O)c1ccccc1O	17526037	OJDXGFJYOVKQDC-UHFFFAOYSA-N	312.325	1.816	50	20	DDGD	
C[C@@H]1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)[C@H](C)C1	166009625	AEOWRKNFGHXDOS-CHWSQXEVSA-N	314.389	1.440	50	20	DDGD	
C[C@@H](Sc1nnnn1C1CC1)C(=O)NNc1ccccc1	151226558	XOKFOQSGGJVSFV-SECBINFHSA-N	304.379	1.632	50	20	DDGD	
CN(CC(=O)NNc1ccc(F)cc1F)[C@@H]1CCSC1	152665997	GFERGUMQZMATCK-SNVBAGLBSA-N	301.362	1.845	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@@H]1CC=CCC1	5718904	AOLZGCQINWEOKS-CYBMUJFWSA-N	318.373	1.968	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C1CC2(CCC2)C1	843535605	JOIDJCIQTSYDPZ-UHFFFAOYSA-N	302.374	1.965	50	20	DDGD	
CN1CC[C@H](NS(=O)(=O)c2ccc(CCl)cc2)CC1=O	915000083	DERNAWAMWWNQEG-NSHDSACASA-N	316.810	1.325	50	20	DDGD	
CN1CCN(S(=O)(=O)CC(C)(C)CCl)c2cnccc21	866938563	VYJDRQUIAWFEIA-UHFFFAOYSA-N	317.842	1.933	50	20	DDGD	
COC(=O)C[C@@H](C)SCC(=O)NNC(=O)c1cccs1	78812024	VWBROGLNKCLKIO-MRVPVSSYSA-N	316.404	1.194	50	20	DDGD	
C[C@@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)Cc1ccccc1F	108995838	BMEUQUZLGXXEDC-SNVBAGLBSA-N	323.368	1.066	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)N[C@H]1CC=CCC1	175538412	XDGMYUYWEVEPDJ-LBPRGKRZSA-N	313.361	1.316	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2cccc([N+](=O)[O-])c2)cc1	178857197	SYRXBLXTRXQGGO-UHFFFAOYSA-N	300.274	1.451	50	20	DDGD	
C[C@H]1CCCC[C@@H]1OCC(=O)NNC(=O)CNc1ccccc1	113414399	QMFYYHLVMHITTG-ZFWWWQNUSA-N	319.405	1.841	50	20	DDGD	
CC(C)(C)CC(=O)NCC(=O)NNC(=O)Cc1ccccc1F	66839651	PVFKTVQYDJPDDR-UHFFFAOYSA-N	323.368	1.068	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1ccccc1-n1cccc1	27338055	YMJIQQLSOYLFOF-UHFFFAOYSA-N	314.345	1.164	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNC(=O)CNc2ccccc2)[nH]n1	174944865	UBZNSJFLXPITAJ-UHFFFAOYSA-N	315.377	1.580	50	20	DDGD	
CCC[C@@H](NNC(=O)COc1ccc(F)cc1)C(=O)OCC	173829164	JTSDBQLGWNJHJF-CYBMUJFWSA-N	312.341	1.557	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CSC[C@H]1CCCO1	177914207	DOZYSAOURRSLCO-CQSZACIVSA-N	322.430	1.597	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)C(C)(C)C)Oc1cccc(F)c1	176589010	JAXCRKKPHUCFPW-SNVBAGLBSA-N	311.357	1.970	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCSc1ccccc1	65208642	YPCJITLXBGGHPA-UHFFFAOYSA-N	311.407	1.536	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)c1cc2ccccc2o1)C1CC1	121634734	LWHTVUACJFFPMN-LBPRGKRZSA-N	317.345	1.802	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)NC(C)(C)C)nc2ccccc21	122709604	KVQMLHDEISMQSL-UHFFFAOYSA-N	303.366	1.245	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NCC2(C)CCCC2)n1	66704925	BRVNVBLUGXZTHV-UHFFFAOYSA-N	307.398	1.411	50	20	DDGD	
CCC(=O)N1CCC[C@H](C(=O)NNc2cc(C)nc(C)n2)C1	128938283	OXXHDADLBPIQGS-LBPRGKRZSA-N	305.382	1.185	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2COc3cc(C)c(C)cc32)[nH]n1	184977586	UYHOENJYFBDRLL-GFCCVEGCSA-N	314.345	1.272	50	20	DDGD	
CC(=O)Nc1ccc(C)c(NC(=O)NNC(=O)c2ccc[nH]2)c1	184052082	WMFDNFSJIKMBCR-UHFFFAOYSA-N	315.333	1.748	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)CCN(C)C1CC1	186770805	SUBXINAKFXRVNH-UHFFFAOYSA-N	312.845	1.905	50	20	DDGD	
CCCn1cc(C(=O)NNc2ccc(C(=O)OC)cn2)cn1	183381161	SJLFPPOARUPCOR-UHFFFAOYSA-N	303.322	1.232	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)CCC(=O)N1CCOCC1	184361672	SRFOULVEIVQBNT-UHFFFAOYSA-N	309.341	1.216	50	20	DDGD	
C[C@@H]1CCC[C@@](CNC(=O)NNc2cccnn2)(N(C)C)C1	77572682	XTNGTRMOUKSCHT-IUODEOHRSA-N	306.414	1.613	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@@H]1CCN(c2ccccc2)C1	121173622	HVBVQUUPMLFSQJ-ZDUSSCGKSA-N	318.421	1.889	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNC(=O)c2ccc[nH]2)cc1	124131473	GUTJLAAYACMANT-NSHDSACASA-N	301.346	1.663	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cc2cc(F)ccc2F)cc1	79813933	NYEPLAWGGXYZGO-UHFFFAOYSA-N	315.279	1.840	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1ccccc1OC(F)F	181410536	SHQFHMVPBZIZCO-UHFFFAOYSA-N	322.271	1.765	50	20	DDGD	
CN(NC(=O)c1csc(Cc2ccccc2F)n1)C(N)=O	181060322	WOSOXQQYJKAVHQ-UHFFFAOYSA-N	308.338	1.528	50	20	DDGD	
C=CCNc1ncc(C(=O)NNc2nccnc2OC)s1	184364821	GKPFPIYCJWDYAQ-UHFFFAOYSA-N	306.351	1.297	50	20	DDGD	
COc1cccc(NNC(=O)NCc2ccc([N+](=O)[O-])cc2)n1	180995473	SLYMEQRPSVEADB-UHFFFAOYSA-N	317.305	1.825	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@@H](O)c1ccccc1	73517592	BKYGMRVUSSOBFY-ZDUSSCGKSA-N	310.313	1.913	50	20	DDGD	
COC(=O)CCCC(=O)NNC(=O)c1c[nH]c2ccccc12	182685738	RAYIAARSPKDGKI-UHFFFAOYSA-N	303.318	1.272	50	20	DDGD	
CCOC(=O)NNC(=O)Cc1ccc(F)c(Br)c1	48811232	VTAHYWXISHSBST-UHFFFAOYSA-N	319.130	1.908	50	20	DDGD	
Cc1nn2cccnc2c1C(=O)NNC(=O)CCc1ccccc1	132455518	VAYSMVMXLUDRTH-UHFFFAOYSA-N	323.356	1.432	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(Cn2ccnc2)cc1	80088665	LOYULYATOAUVKK-UHFFFAOYSA-N	300.362	1.739	50	20	DDGD	
C[C@@H]1CCC[C@H](NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)CC1	190941165	AMXBMWCDYNMAGG-MBNYWOFBSA-N	317.455	1.336	50	20	DDGD	
N#Cc1cccc(NNC(=O)NCCCOC[C@@H]2CCCO2)c1	45162900	SBYZERLWXKPWTM-HNNXBMFYSA-N	318.377	1.770	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc(F)c(F)c(F)c1F	192951429	IYEVYRDODGBFIL-UHFFFAOYSA-N	315.226	1.656	50	20	DDGD	
CSCCNC(=S)NNC(=O)Cc1ccc(F)cc1F	94120625	LZSJNBBZLWETCD-UHFFFAOYSA-N	319.402	1.366	50	20	DDGD	
CN(C)c1cc(C(=O)NNC(=O)c2ccc(C#N)cc2)ccn1	142399211	AMYXHSCAFUPZSG-UHFFFAOYSA-N	309.329	1.094	50	20	DDGD	
Cc1cnn(CCC(=O)NNc2cc(C#N)cc(Cl)n2)c1	93545986	XYAPXNQCQICPHI-UHFFFAOYSA-N	304.741	1.645	50	20	DDGD	
CC[C@@H](OC1CCCCC1)C(=O)NNc1ccc(C(N)=O)nn1	268678744	OUACBYNJVZUKCN-GFCCVEGCSA-N	321.381	1.147	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)C1CCSCC1	265643967	UUIJFCAXVFJGQH-UHFFFAOYSA-N	308.403	1.494	50	20	DDGD	
CCN(CC)C(=O)CCCC(=O)NNc1nc(C)cc(C)n1	263674149	MZOCSYZTDNTVNL-UHFFFAOYSA-N	307.398	1.575	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)[C@H]1COc2ccccc2O1	269496769	PYCWUCIHFYHFKO-NEPJUHHUSA-N	310.375	1.115	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CSCN1	269094520	MVBZPTHZCOWVLZ-MRVPVSSYSA-N	302.743	1.354	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)C(C)(C)C	265081598	IPGPFUKFIWDJNN-SECBINFHSA-N	310.325	1.356	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cc(C(C)C)n(C)n1	266856097	FHXASEDPBUQRNG-UHFFFAOYSA-N	316.361	1.627	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(OC3CCC3)cc2)[nH]n1	268800709	DCKFVGBGDVCYOG-UHFFFAOYSA-N	314.345	1.724	50	20	DDGD	
O=C(CC[C@H]1CCOC1)NNC(=O)Cn1cnc2ccccc21	267567852	MFVFZHAFYBNZPS-LBPRGKRZSA-N	316.361	1.000	50	20	DDGD	
O=C(NNC(=O)C(=O)NC1CC1)N[C@@H]1CCCCC12CCCC2	366046811	BHEMNWUUUMZPAT-GFCCVEGCSA-N	322.409	1.098	50	20	DDGD	
COC(=O)CCCNC(=O)NNc1cccc(C(=O)OC)c1	272702617	ZIDNGUCBPAMRAS-UHFFFAOYSA-N	309.322	1.053	50	20	DDGD	
CC(C)(C)OC(=O)CCC(=O)NNC(=S)Nc1ccccn1	277972733	NMXRRBHUJUEGLA-UHFFFAOYSA-N	324.406	1.521	50	20	DDGD	
COc1cccc(NNC(=O)[C@H](C)NC(=O)C2CCCC2)n1	272557263	SJBWLJVDAULTAE-JTQLQIEISA-N	306.366	1.228	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc(NC(=O)C2CC2)c1	274383087	GXPJEXCTAJCFBX-UHFFFAOYSA-N	319.365	1.733	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)C3(C)COC3)cc2C1	272761356	AKMKAFSJXKLHNK-VIFPVBQESA-N	308.403	1.670	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2CCCN2C(N)=O)cc1Cl	273192340	HNZMVTZGBZUIJG-NSHDSACASA-N	307.741	1.198	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)[C@@H]1CCCCS1(=O)=O	275081189	FGBOXJGVNVDPIP-VIFPVBQESA-N	303.771	1.145	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc2c(c1)NC(=O)CCS2	272705674	VZUDQNUOWHMRAP-UHFFFAOYSA-N	322.390	1.427	50	20	DDGD	
CC(C)N1C[C@H](NC(=O)/C(C#N)=C\c2ccc(O)cc2)CC1=O	278659029	MMKZENSTSGMXEU-SVSAJMPUSA-N	313.357	1.425	50	20	DDGD	
Cn1cc([C@@H](NC(=O)NNc2ncccn2)c2ccccc2)cn1	374953064	MNFSFENPCQPCAG-AWEZNQCLSA-N	323.360	1.626	50	20	DDGD	
C[C@]1(C2CCN(/C(=C/C#N)c3ccccc3)CC2)NC(=O)NC1=O	374201247	IUPCJOIVVGHMJW-YLRAASNFSA-N	324.384	1.861	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1C	375192994	MGPYTOQLZKPFKF-HVCHUGMYSA-N	313.357	1.439	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNC(=O)CCCc1ccccc1	289349605	GMPZQJGXPZAKLF-CYBMUJFWSA-N	320.389	1.746	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cnc3n2CCCC3)cc1	378236570	OKCLHHPNEZCYBV-UHFFFAOYSA-N	312.373	1.857	50	20	DDGD	
COC(=O)Cn1ccc(NC(=O)NCCSSC)n1	284497803	ALIXJMSCLIXXBP-UHFFFAOYSA-N	304.397	1.189	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1ccc(NCC2CC2)nc1	282239692	QHJHGWBYXARCNC-UHFFFAOYSA-N	324.348	1.327	50	20	DDGD	
CSSCCNC(=O)N1C[C@@H](N2CCOCC2)C[C@H]1C	376493325	YRGSVVQHZKYWGT-NEPJUHHUSA-N	319.496	1.502	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)NNc1cccc([N+](=O)[O-])c1	285703635	HXBUBDKDQAGHBT-ZDUSSCGKSA-N	306.322	1.439	50	20	DDGD	
CC(C)n1cnc(C(=O)NNC(=O)COCc2ccccc2)c1	281344845	SYWUMSDDIALQJO-UHFFFAOYSA-N	316.361	1.442	50	20	DDGD	
O=C(CC1CCCCC1)NCC(=O)NNc1cccc(F)n1	286596879	OTJJBYGYTQVNRE-UHFFFAOYSA-N	308.357	1.750	50	20	DDGD	
COCCCn1nccc1/C=C(\C#N)C(=O)NC[C@@H]1CCCO1	282633667	KHUJKNHVZSTJFT-VOMSXAGXSA-N	318.377	1.122	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1)C1CC1	291003662	UCHLPJSQFHEGFE-MGPLVRAMSA-N	324.352	1.556	50	20	DDGD	
Cn1c(=O)n(CC(=O)NNc2cccc(F)n2)c2ccccc21	804772622	KKIUBIWTPOUKKY-UHFFFAOYSA-N	315.308	1.017	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NNc1ccc(OCC)cc1	294215525	DUDDGXCNBGCQJO-ZDUSSCGKSA-N	308.382	1.756	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccc(N2CCCC2)nc1	293984292	LDABLOZWJSCWKN-UHFFFAOYSA-N	302.313	1.368	50	20	DDGD	
COC(=O)Cc1occ(C)c1C(=O)NNc1cccc(OC)n1	290444313	OQFMJDDCXPSKQM-UHFFFAOYSA-N	319.317	1.464	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=O)[C@H]2CCCCO2)c1C1CC1	295660244	VXGILLOASZBSEY-CYBMUJFWSA-N	320.393	1.501	50	20	DDGD	
Cc1nn(C(C)C)c(C)c1CC(=O)NNC(=O)c1cccn1C	292139258	DSHMAQZHLKRHRQ-UHFFFAOYSA-N	317.393	1.423	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCc2scnc2C)n1	298109048	LVGJWMGYNPZULL-UHFFFAOYSA-N	307.379	1.634	50	20	DDGD	
COc1cnc(NC(=O)NNc2nc3ccccn3n2)s1	806514423	YGRGIZIOBLGETH-UHFFFAOYSA-N	305.323	1.343	50	20	DDGD	
CSSCCNC(=O)NC[C@H]1CC(=O)N(C2CC2)C1	807091394	JHCNNOSOCVSUCH-SECBINFHSA-N	303.453	1.308	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccncc1C(F)(F)F	800690903	SUJOJUNUYRHPBR-UHFFFAOYSA-N	313.239	1.207	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1ccc2cccnn12	803436200	IVAYLVJIALJEOQ-UHFFFAOYSA-N	319.324	1.933	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1nccn1CC)c1ccccc1	291953779	OKGBSNOJCOWFFF-CYBMUJFWSA-N	300.362	1.858	50	20	DDGD	
CC1=C(C(=O)NNc2nccnc2C2CCC2)C(=O)OC1(C)C	805473430	ULAXWHFUGYGSEH-UHFFFAOYSA-N	316.361	1.839	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=Cc1cn(C(C)C)nn1	807947230	MCOBRIUQKBKGFK-UHFFFAOYSA-N	311.349	1.579	50	20	DDGD	
COCc1cnc(NC(=O)NNc2ncncc2Cl)s1	806604712	DIUJWQGJYVOWRY-UHFFFAOYSA-N	314.758	1.882	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1)C(C)C	297907498	IHEIGZXOUAZQRD-FZMZJTMJSA-N	321.352	1.581	50	20	DDGD	
CCOC(=O)CC(C)(C)CC(=O)NNC(=O)CC(F)(F)F	806537682	SIIFQOHBNHAVHU-UHFFFAOYSA-N	312.288	1.456	50	20	DDGD	
O=C(CCc1cncnc1)NNc1ccnc(Br)c1	816157046	SZQGWCKXJOTIMM-UHFFFAOYSA-N	322.166	1.710	50	20	DDGD	
Cc1cncc(CCC(=O)NNc2nc(-c3cccnc3)no2)c1	815546144	AODLWWHJAXEPCX-UHFFFAOYSA-N	324.344	1.911	50	20	DDGD	
CN(CC(=O)NNc1ncncc1F)c1ccc(Cl)cn1	817078855	XRXSBASUIDRRDI-UHFFFAOYSA-N	310.720	1.244	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CNC(=O)C(C)(C)C)ccc1C	816687587	GNBHKTPWXCNDME-UHFFFAOYSA-N	321.377	1.387	50	20	DDGD	
O=C(CCc1ncccn1)NNC(=O)c1ccc2ccccc2n1	812450366	GKCHQJWPCSCLLK-UHFFFAOYSA-N	321.340	1.419	50	20	DDGD	
CC(C)[C@H](O)C(=O)NNC(=O)c1cccc(OC(F)F)c1	813439100	IGBRNWFVBGIBQG-JTQLQIEISA-N	302.277	1.066	50	20	DDGD	
Cc1nccc(CCC(=O)NNC(=O)c2cc3ccccc3o2)n1	815756241	VGRWTKAJZUANMR-UHFFFAOYSA-N	324.340	1.925	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)CCc1ccccc1O	812501930	CSMRQAMLKVQAKN-NWDGAFQWSA-N	308.378	1.391	50	20	DDGD	
CCC(=NNC(=O)C(=O)Nc1ccccn1)c1cccc(N)c1	814869353	JCVUTPLRAOOQTA-UHFFFAOYSA-N	311.345	1.533	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cc(F)ccc1Cl	816596258	VIFFBGZWMVVHDO-UHFFFAOYSA-N	308.700	1.763	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1cc2nn[nH]c2cc1F	817009226	ACDOHTAJEWAHJX-UHFFFAOYSA-N	306.688	1.902	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1c[nH]c(C(F)(F)F)c1	815410552	HPSCDFRNHUFJHE-UHFFFAOYSA-N	312.251	1.432	50	20	DDGD	
Cc1nnsc1C=NNC(=O)[C@H](C)CN1CCCCCC1	814216578	RYCBEMUYJVJDCS-LLVKDONJSA-N	309.439	1.809	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C(C)C[C@@H]2CCC(=O)N2)c1	811632601	VXGUDEDXRVZJAB-LBPRGKRZSA-N	319.361	1.478	50	20	DDGD	
Cn1nncc1NNC(=O)c1csc(-c2ccccc2F)n1	816769969	FDNBYTNAXWHMFH-UHFFFAOYSA-N	318.337	1.835	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccn(-c2ccccc2F)n1	817079551	GXDYYZARWFSXAE-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2c(C)nn(C)c2Cl)n1	812491060	KEZYJUJITMAHEX-UHFFFAOYSA-N	308.773	1.346	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1cnn(-c2ccc(F)cc2)c1C	727648195	XRPBDDVEEAYFOS-UHFFFAOYSA-N	317.368	1.722	50	20	DDGD	
CCc1c(C(=O)NNC(=O)CNc2ccc(C)cc2)cnn1C	728204812	RRKAYPHPFNJOPQ-UHFFFAOYSA-N	315.377	1.164	50	20	DDGD	
COC[C@H](C)CNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	728958545	PVRISVVHMFEOEV-SFCYXTAJSA-N	323.437	1.816	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1ccc(N2CCOC2=O)cc1	495633061	HOVULDMBDLBXIN-UHFFFAOYSA-N	316.292	1.934	50	20	DDGD	
CCOC(=O)NN=Cc1c[nH]nc1-c1ccc2c(c1)OCO2	490710536	RNUNRMLABRNZDW-UHFFFAOYSA-N	302.290	1.885	50	20	DDGD	
Cn1ccc(C(=O)NNC(=O)c2cccc(OC(F)F)c2)n1	728485832	GTHLOVFYOGJDOR-UHFFFAOYSA-N	310.260	1.096	50	20	DDGD	
Cc1cc(NNC(=O)CCN(C)C2CCCCC2)nc(N)n1	828372153	RWHOQZLVBRVUQC-UHFFFAOYSA-N	306.414	1.465	50	20	DDGD	
CCN(CCO)NC(=O)c1cnc(-c2ccccc2)nc1C	823869261	GCJUUMYJHQFBNL-UHFFFAOYSA-N	300.362	1.411	50	20	DDGD	
CCc1ccc(Br)cc1C(=O)NN(C)C[C@H](C)O	822555951	CQEJEOAYEADLIC-VIFPVBQESA-N	315.211	1.969	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)c1cc(-c2nn[nH]n2)c[nH]1	826446470	MVQSUBLTNBBKES-UHFFFAOYSA-N	304.701	1.000	50	20	DDGD	
C[C@]1(C(=O)NNc2nc3ccc(Cl)cc3s2)CCNC1=O	824717316	QMVUPDZTFBUNHS-ZDUSSCGKSA-N	324.793	1.919	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)COc1ccc(F)cc1	491712377	ZJYJPWWBEIALRV-UHFFFAOYSA-N	300.293	1.185	50	20	DDGD	
C[C@H]1COc2ccccc2[C@H]1NCc1ccc(B(O)O)cc1F	585034251	GVBFHLVREXXFIP-GTNSWQLSSA-N	315.153	1.365	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1occc1COc1ccccc1	823982950	HXDBABDNHYUFRC-GFCCVEGCSA-N	304.346	1.816	50	20	DDGD	
CO[C@H](C(=O)NNC(=S)NCCc1cccs1)C(C)C	820171093	FBKQWPGPKCXKTA-NSHDSACASA-N	315.464	1.457	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C	495691893	DTGWZSWOVHCIOR-VHSXEESVSA-N	315.370	1.409	50	20	DDGD	
CCCN(NC(=O)CN1CCCCC1=O)C(=O)OC(C)(C)C	497119517	XCANTQQHLLCWSA-UHFFFAOYSA-N	313.398	1.677	50	20	DDGD	
Cc1cccc([C@H]2CCN(CC(=O)NNC(=O)C(C)C)C2)c1	828786497	ZWELYZSSOUXBFZ-HNNXBMFYSA-N	303.406	1.588	50	20	DDGD	
C[C@H]1OC(=O)N[C@H]1C(=O)NNc1ccccc1C(F)(F)F	496712686	NXFBTNWMYQOUJE-HZGVNTEJSA-N	303.240	1.645	50	20	DDGD	
COCc1ccc([C@H]2CCCN2CC(=O)NNC(=O)C(C)C)o1	828911304	NPJOJPMAXNKHNQ-CYBMUJFWSA-N	323.393	1.366	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cc[nH]1	827030745	JRPYSILEFOAHQU-CABCVRRESA-N	312.329	1.967	50	20	DDGD	
CN(NC(=O)[C@@](C)(O)c1ccc(F)cc1)C(=O)OC(C)(C)C	822508096	VMYCURPUJUBBFH-HNNXBMFYSA-N	312.341	1.931	50	20	DDGD	
CC(C[C@H](C)NC(=O)OC(C)(C)C)=NNC(=O)c1ccnnc1	497019153	IIERIRQWZMHBEB-JTQLQIEISA-N	321.381	1.886	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1cc(Br)ccc1C	822782643	YYEANHOHYHFRNL-UHFFFAOYSA-N	314.183	1.650	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](C)[C@H]1CCCN(C(=O)OCC)C1	490905774	AQJQZPWBCQIPEK-PGSJZPBPSA-N	323.393	1.804	50	20	DDGD	
COc1ccc([C@@H](C)N(C)CC(=O)NNC(=O)C(C)C)cc1	827287997	RWZDUUPVYDGWJJ-GFCCVEGCSA-N	307.394	1.491	50	20	DDGD	
CC1(C)OC[C@@H](CNC(=O)/C(C#N)=C/c2ccc(O)cc2)O1	491157900	BGFCZPAMXBRZRZ-WEKMIXOTSA-N	302.330	1.567	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)[C@@H](C)C#N)cc1OC	735837047	PGOJZRLBTDOPLG-NSHDSACASA-N	319.361	1.795	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)CC(N)=O)c1C	491174498	HPDZFGASMSWCAQ-GPILYODUSA-N	316.405	1.802	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)CCSCC(=O)O)o1	736522906	LHSJHYCHEYQLDY-UHFFFAOYSA-N	312.351	1.321	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)OC[C@@H]2CNC(=O)O2)c1	495716428	IBEBVMNNAZUBJV-PTJCHJMSSA-N	302.286	1.254	50	20	DDGD	
C#CCSCC(=O)NNC(=S)NCCc1cccs1	900051015	LCFXKXQFNLLMQF-UHFFFAOYSA-N	313.473	1.152	50	20	DDGD	
OB(O)c1ccc(CNC[C@H]2CCN2C2CCCCC2)c(F)c1	585048873	FTSOZHKVJRNEKS-MRXNPFEDSA-N	320.217	1.002	50	20	DDGD	
COC1(CO)CCN(C(=O)[C@]2(C)C[C@@H]2Br)CC1	907790761	OYBYBABWTYUFEQ-GXSJLCMTSA-N	306.200	1.160	50	20	DDGD	
CC[C@H](C)NC(=O)CCNC(=O)[C@]1(C)C[C@@H]1Br	906287877	OCCOKNXWCLBVQD-HOTUBEGUSA-N	305.216	1.581	50	20	DDGD	
CC[C@H]1CCC[C@H]1CNC(=O)NNC(=O)Cc1ccncc1	836558760	OMCMRMJFHNROMD-KBPBESRZSA-N	304.394	1.781	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	831944045	OHNUDJQVRNPNDA-LLVKDONJSA-N	309.322	1.383	50	20	DDGD	
CCN(Cc1occc1C)C(=O)c1ccc(B(O)O)c(F)c1	584998563	ASICVAOMNHCRPR-UHFFFAOYSA-N	305.114	1.069	50	20	DDGD	
O=C(NCCOc1ccc([N+](=O)[O-])cc1)NNC(=O)C1CCC1	732247861	NGDRFRUOIJKKOF-UHFFFAOYSA-N	322.321	1.104	50	20	DDGD	
COc1c([N+](=O)[O-])ccc(C=NNC(=O)[C@@H]2CCCCO2)c1O	834987043	SGGWZNAYEHVYQT-NSHDSACASA-N	323.305	1.328	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1O	834985462	IOYVIHCNYULPDI-CYBMUJFWSA-N	307.306	1.710	50	20	DDGD	
COCCS(=O)(=O)CC(=O)NNc1ccc(C)cc1Cl	836938261	ITYOQGSOPBPPIE-UHFFFAOYSA-N	320.798	1.153	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(C)(C)O)c(Cl)c1Cl	830691411	WBVPSADHYJEZBN-UHFFFAOYSA-N	305.161	1.834	50	20	DDGD	
CCn1nc(C)c(COC(=O)/C(C#N)=C/c2ccc(O)cc2)n1	837561355	GQRDFWTZGHPSLK-MDWZMJQESA-N	312.329	1.962	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)CC2CCCC2)cc1O	839616554	UBKNRRWDDHKXJA-UHFFFAOYSA-N	304.346	1.936	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(F)nc2)cc1OC	733909472	PYQIDHNESIUQTB-UHFFFAOYSA-N	319.292	1.313	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccccc1[N+](=O)[O-])c1cnn(C)c1	839484067	BBXRVFNTFBGBOW-JTQLQIEISA-N	303.322	1.965	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1ccc([N+](=O)[O-])o1	732110675	JQGKMUNEHNOJDY-UHFFFAOYSA-N	316.233	1.390	50	20	DDGD	
CCOc1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)ccc1C	831422558	ZWQBNSCNADLNKN-DGCLKSJQSA-N	321.377	1.971	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNc1ccc(C(F)(F)F)nn1	839713224	QEPGGRKHROKBRB-ZETCQYMHSA-N	319.287	1.086	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1)C1CCC1	732765738	IZUUNQCZCXTOTK-ZIAGYGMSSA-N	321.421	1.363	50	20	DDGD	
CCOc1cc(C)ccc1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	831318406	SHRNDIJPGJUSMF-RYUDHWBXSA-N	321.377	1.971	50	20	DDGD	
COC(=O)[C@@H](CC(C)(C)C)OC(=O)/C(C#N)=C/c1cnn(C)c1	837973005	ZFVRJXFHOZBRDA-XEVNVYFWSA-N	319.361	1.848	50	20	DDGD	
O=C(NC[C@H]1COCCO1)NNc1cc(F)c(F)c(F)c1	746756835	LERCAGZDVDJNBY-QMMMGPOBSA-N	305.256	1.145	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)c1n[nH]c2c1CCC2	848319922	GFCUFVXKFBEHSH-UHFFFAOYSA-N	323.154	1.208	50	20	DDGD	
C[C@H]1CCCCCC1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	844579047	QIDLENWDCQLDCN-WDEREUQCSA-N	301.412	1.429	50	20	DDGD	
CCC(CC)(CO)C(=O)NNC(=O)CCc1ccc(OC)cc1	848100552	QAIUUCCDJFEJTM-UHFFFAOYSA-N	322.405	1.574	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@@H]1CCc2cncn2C1	844142334	RBXUQEGCRYJPLR-GFCCVEGCSA-N	312.377	1.646	50	20	DDGD	
CCOC(=O)[C@H](NNC(=O)[C@H]1CCCCO1)c1ccccc1	842150586	GZPSPIBHHZQWHU-ZIAGYGMSSA-N	306.362	1.481	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@]1(C)C[C@H]1Br)C1CC1	912160028	KFLGVWXLTNBPII-QXHCQDJKSA-N	320.256	1.454	50	20	DDGD	
O=C(NN=Cc1cccc(O)c1O)[C@@H]1COc2ccccc2O1	916293621	WPIODTJHMISLPL-AWEZNQCLSA-N	314.297	1.388	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC[C@@H]1CCCCN1)c1ccccc1	841919471	AKEGSULXSUBBEC-GJZGRUSLSA-N	318.421	1.653	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@@H]1CCCCO1)c1ccccc1	840777409	ZTRWKGRJQNNYCM-YPMHNXCESA-N	307.419	1.812	50	20	DDGD	
O=C(NN=Cc1cnc2cnccn12)c1cccc([N+](=O)[O-])c1	746367781	QGNOJKHKZINNIL-UHFFFAOYSA-N	310.273	1.401	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc([N+](=O)[O-])c1)[C@H](C)S(C)(=O)=O	841409910	XSFOTDAROZSKBW-BDAKNGLRSA-N	315.351	1.107	50	20	DDGD	
Cn1cc(C(=O)NNC(=S)NCC2CC2)c2ccccc21	849253522	NNMZVCAAOXOAOS-UHFFFAOYSA-N	302.403	1.697	50	20	DDGD	
COc1nc(N(C)C)sc1C=NNC(=O)NC1CCCC1	743531391	UVBUCFYGHHHQAO-UHFFFAOYSA-N	311.411	1.793	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)[C@H]1COCCO1	748740847	OQRSHUOQHUCQRC-LLVKDONJSA-N	315.167	1.616	50	20	DDGD	
O=C(NNc1ccncn1)[C@@H](C[C@@H]1CCCO1)C(F)(F)F	846237008	YNDSQSDSMXUFAP-DTWKUNHWSA-N	304.272	1.667	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)nc1	848674597	GYQRIIGBYFTSRI-KGLIPLIRSA-N	319.409	1.733	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@H]2CCO[C@H](C)C2)cc1	846377585	GOYAJNZARQDWDO-YPMHNXCESA-N	306.362	1.660	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@@H]2C[C@@]2(C)c2ccccc2)cn1	743641083	FPTMNIWWWUBPKG-CJNGLKHVSA-N	313.361	1.094	50	20	DDGD	
CC[C@H](C)c1nc(C)c(CC(=O)NNC(=O)C2CC2)c(C)n1	847285620	PICFWZIIYOETLK-VIFPVBQESA-N	304.394	1.707	50	20	DDGD	
CC(C)(C)OC(=O)[C@]1(C(=O)NNc2cccnn2)CC=CCC1	845935756	FOROKQBGWFEDKD-MRXNPFEDSA-N	318.377	1.988	50	20	DDGD	
C[C@H]1COc2ccccc2N1CC(=O)NNC(=O)C(C)(C)C	744421918	UXPDTAGKHHBYFD-NSHDSACASA-N	305.378	1.467	50	20	DDGD	
O=C(NNc1ncccc1C(F)(F)F)c1cnn2cccnc12	740093398	NMEQWXMYOOCVNU-UHFFFAOYSA-N	322.250	1.900	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1ccc([S@](C)=O)cc1	746368196	BHWVILDQTSNQIR-NRFANRHFSA-N	302.359	1.368	50	20	DDGD	
OB(O)c1cccc(-c2noc([C@@H]3CCN3C3CCCC3)n2)c1	924145905	PKZHYCMCPQLSIM-AWEZNQCLSA-N	313.166	1.106	50	20	DDGD	
O=C(COc1cccnc1)NNC(=O)c1ccc(Cl)cc1F	747432288	ZZJGXWXEVROOQB-UHFFFAOYSA-N	323.711	1.714	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCCC(F)(F)C1	846710817	GAOKGVNMCMDGED-UHFFFAOYSA-N	313.304	1.781	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)s1)N[C@@H]1CCS(=O)(=O)C1	920384906	RWNABEFKUOLNHR-SSDOTTSWSA-N	321.811	1.222	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CC12CCC2	759692528	OLMNBKCSBHQGCF-ZWNOBZJWSA-N	306.337	1.931	50	20	DDGD	
Cc1nnc(COCC(=O)NNc2ccnc(Cl)c2)s1	855466147	GQBHWFXEVMFYBQ-UHFFFAOYSA-N	313.770	1.555	50	20	DDGD	
O=C(NNC(=O)C1CC(O)(c2cccc(Cl)c2)C1)C1CC1	858122723	ZQAWQIMJDBUDAO-UHFFFAOYSA-N	308.765	1.495	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccccc2)c(-c2ccncc2)n1	920252174	XMPGPXRWUBDWCH-UHFFFAOYSA-N	321.340	1.557	50	20	DDGD	
CC1(C)C(NC(=O)NNC(=O)c2ccc(C#N)cc2)C1(C)C	752008039	USBRFMWCQQYYSF-UHFFFAOYSA-N	300.362	1.937	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@@H]1CCCc2c[nH]nc21	856878800	BOHGJWXCPXXJSZ-SECBINFHSA-N	307.745	1.557	50	20	DDGD	
CC(C)=C(C)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	750939455	AUAOCMLVBVBNPT-UHFFFAOYSA-N	304.346	1.656	50	20	DDGD	
CCO[C@H]1CCCN(C(=O)NNC(=O)c2cccc(F)n2)C1	852709042	ALLWLBMTLBDPMK-JTQLQIEISA-N	310.329	1.076	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@H]2CCCCN(C)C2)n1	858765435	BLLZDEUFGOVXRE-GFCCVEGCSA-N	307.398	1.448	50	20	DDGD	
CCNC(=O)c1cccc(NC(=O)NNC(=O)[C@@H](C)CC)c1	755515312	UOROBSXAXKMCQA-JTQLQIEISA-N	306.366	1.635	50	20	DDGD	
COc1nc2sccn2c1C=NNC(=O)NCc1ccco1	920829300	MMBROLNYESSNLC-UHFFFAOYSA-N	319.346	1.831	50	20	DDGD	
Cc1cc(NNC(=O)c2ccnc(O[C@@H]3CCOC3)c2)ncn1	758162513	DKUTYNMJZXSWGT-GFCCVEGCSA-N	315.333	1.105	50	20	DDGD	
CSc1nc(O)c(C(=O)NCCCSC#N)cc1C#N	854363421	ZFXDSUPRBNATFX-UHFFFAOYSA-N	308.388	1.715	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)NCC(=O)OC)c(C)c1	853331610	YRMIPMXVPXFJSK-UHFFFAOYSA-N	307.350	1.590	50	20	DDGD	
C#CCOc1ccc(C=NNC(=O)c2sc(N)nc2C)cc1	920987676	QASWJCWGEMATOI-UHFFFAOYSA-N	314.370	1.810	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2cnc3n2CCC3)cc1C	853265011	BHIZBWBCQWJJJY-UHFFFAOYSA-N	312.373	1.975	50	20	DDGD	
CC1CC(C#N)(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)C1	758157862	KABCWFJMLSFWCS-UHFFFAOYSA-N	310.357	1.798	50	20	DDGD	
COC(=O)c1oc(C=NNC(=O)Cc2cc(C)[nH]n2)cc1C	853285907	BVVYETZATQNVOW-UHFFFAOYSA-N	304.306	1.099	50	20	DDGD	
Cc1conc1NC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	857005005	IQZQHKUCZRRTSV-RDDDGLTNSA-N	316.155	1.211	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)c1ccc[nH]1)c1ccc(F)cc1	920054548	NLHLPNZJRDBWRP-SNVBAGLBSA-N	304.325	1.902	50	20	DDGD	
CC1(C)C[C@@H](CNC(=O)NNC(=O)c2cccc(F)n2)CCO1	852376626	KQXMGBBPTISRRP-JTQLQIEISA-N	324.356	1.370	50	20	DDGD	
CNC(=S)N(C)NC(=O)COc1ccc(Cl)cc1Cl	854929847	VCKXTCHOQKKWCX-UHFFFAOYSA-N	322.217	1.840	50	20	DDGD	
CC(C)c1nc(C=NNC(=O)C(=O)NC2CC2)c2ccccn12	755610635	GXFJVQBMEBKAGH-UHFFFAOYSA-N	313.361	1.186	50	20	DDGD	
COCCCNC(=O)NN=C1CCN(Cc2ccccc2)C1	920830154	RGBOFBRGBPLLRZ-UHFFFAOYSA-N	304.394	1.584	50	20	DDGD	
CN(CCI)CCCNC(=O)C1CCC1	759999438	LHYJVLLYIOABNZ-UHFFFAOYSA-N	324.206	1.660	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)COc1cc(C)cc(C)c1	755035705	DUAHSDCFYSOVIY-ZDUSSCGKSA-N	308.378	1.502	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)CCn2cccc2)c1	751059723	FWLVKMIOUYFWSW-UHFFFAOYSA-N	316.361	1.146	50	20	DDGD	
CCN(CC)C[C@H](C)NC(=O)NNC(=O)CCc1ccccc1	750328858	VWQHYRWOKRYULS-AWEZNQCLSA-N	320.437	1.680	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)C1(CC(C)C)CCC1	756943400	WVRKVYFPIKXIHN-UHFFFAOYSA-N	311.426	1.655	50	20	DDGD	
Cn1ncc(C2CC2)c1C(=O)NNC(=S)NCC1CCC1	855094190	WUEFMDDXJZIPOS-UHFFFAOYSA-N	307.423	1.207	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCC2=CCCC2)c1	852635105	SHFFTPZCTMZLRM-UHFFFAOYSA-N	302.378	1.807	50	20	DDGD	
O=C(Cn1cc(C2CC2)cn1)NNC(=O)NC1CCCCC1	854192086	GFUBUQVULFZSHA-UHFFFAOYSA-N	305.382	1.424	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NN(C)C(=O)OC(C)(C)C)C1	857868776	CAESEYFAWKJWIW-MWLCHTKSSA-N	308.382	1.974	50	20	DDGD	
Cc1nn(CC(F)F)cc1C(=O)NNC(=O)C1CCCC1	930133549	KGEXBYAGUWDMKO-UHFFFAOYSA-N	300.309	1.408	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=Cc2cnc(C3CC3)o2)cc1	863067173	LVKCPXAOFYDGDF-UHFFFAOYSA-N	310.313	1.953	50	20	DDGD	
CC[C@]1(C(=O)NN=c2sc3ccccc3n2C)CCNC1=O	864719542	LEYWNRYVIFKNGP-HNNXBMFYSA-N	318.402	1.088	50	20	DDGD	
COC[C@H](OC)C(=O)NNc1nc2ccccc2[nH]c1=S	862294571	NBJRQQGMXFTDLM-JTQLQIEISA-N	308.363	1.397	50	20	DDGD	
CCCCS(=O)(=O)/C(C#N)=C\c1cn(C[C@@H]2CCCO2)nn1	865225009	XIMUXNPVOQGTMD-IAOKNECISA-N	324.406	1.536	50	20	DDGD	
CN1CCCc2cc(CNCc3ccc(B(O)O)cc3)ccc21	863889303	YMRBAQHBRWJDIU-UHFFFAOYSA-N	310.206	1.039	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)Nc1nccs1	763477013	DHNAFUYLOLWZFL-UHFFFAOYSA-N	324.387	1.794	50	20	DDGD	
CCCOc1ccc(NC(=O)C(=O)NNC(=O)OC)cc1C	861799467	DMYQQGOEQVIVSS-UHFFFAOYSA-N	309.322	1.110	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)c1cc(O)cc([N+](=O)[O-])c1	769463870	HGTFAKCLOXMOOE-UHFFFAOYSA-N	319.248	1.514	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNc1nc(O)c2ccccc2n1	863895818	WPNQECVYUXIKJS-GFCCVEGCSA-N	304.350	1.984	50	20	DDGD	
CC(C)OC(=O)CCCNC(=O)NNc1cncc(Cl)n1	765905871	OXDDHFICTPMGSK-UHFFFAOYSA-N	315.761	1.488	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cnc(Cl)c(C)c1	760260428	NFOMBNQODYWJEH-UHFFFAOYSA-N	310.785	1.798	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cnc2nccn2c1	869455368	ZBWQPWZSCHPRNZ-UHFFFAOYSA-N	309.198	1.161	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1	867512329	HHMGXEFBDQGXMS-WDEREUQCSA-N	322.858	1.182	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cc2c(nc1O)CCC2	768245947	BXJUXXIUZHXLIJ-UHFFFAOYSA-N	314.301	1.941	50	20	DDGD	
CC(C)[C@H]1C[C@H](C(=O)NNC(=O)Cc2ccncc2)CCO1	934041896	LJUANQCXMIWVRV-ZIAGYGMSSA-N	305.378	1.223	50	20	DDGD	
CC1(C)OCC(C)(C(=O)NNc2cc(C#N)cc(Cl)n2)CO1	769055058	DFZMWRHAMLUBLA-UHFFFAOYSA-N	324.768	1.839	50	20	DDGD	
CC(C)Oc1ncc(C(=O)N2CC[C@@H](B(O)O)C2)cc1Cl	864231750	ROKAJHFCANAJFH-SNVBAGLBSA-N	312.562	1.211	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(C(F)(F)F)c(F)c1	861219663	HYMMTMOSWZXMBE-UHFFFAOYSA-N	309.219	1.644	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)c1cc(C)on1	761619468	MLUZNFWASVOHCL-UHFFFAOYSA-N	321.358	1.545	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C(=O)NN=c2cc[nH]c(C)c2)c1C	862508496	SWHVLGCZWMIBOF-UHFFFAOYSA-N	316.361	1.690	50	20	DDGD	
C[C@@H](NNC(=O)CCOCC(F)(F)C(F)F)C(F)(F)F	862316986	HUCPEXGKAXHKSJ-RXMQYKEDSA-N	314.201	1.865	50	20	DDGD	
C[C@H](CS(C)(=O)=O)C(=O)NNc1cccc(F)c1Cl	862507576	ABNRLRYOXODARE-SSDOTTSWSA-N	308.762	1.603	50	20	DDGD	
Nc1cnnc(NNC(=O)C[C@@H]2CSCCS2)c1Cl	1116359229	RUYPFPLTHMNNLE-ZCFIWIBFSA-N	319.843	1.394	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=S)Nc2ccccn2)CCC1	874956105	LFNOKHWFPZILDU-UHFFFAOYSA-N	322.390	1.133	50	20	DDGD	
COCCOCC(=O)NN=C1CCCOc2ccc(OC)cc21	872402040	SBOBZFMFAFJWJL-UHFFFAOYSA-N	322.361	1.351	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2COCC[C@H]2O)cc1	871189404	CVKFPHFSDMBWGZ-LXUUZPSESA-N	316.357	1.258	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CN(C)C(C)C)cc1C	873764486	DZOVTXCVBMKKIZ-UHFFFAOYSA-N	308.451	1.961	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCCCN2C)c1	874951030	ZZEYYEUMFHAMHM-AWEZNQCLSA-N	316.430	1.470	50	20	DDGD	
COCC(=O)N[C@H](C(=O)OC[C@@H](C)CBr)C(C)C	770381344	BYGFCZRJPFOKDD-ONGXEEELSA-N	324.215	1.348	50	20	DDGD	
COC(=O)[C@H](C)n1cccc1C=NNC(=O)Cc1cccnc1	774586797	KPFPYVYOTAGGBE-LBPRGKRZSA-N	314.345	1.310	50	20	DDGD	
COC[C@@H](NC(=O)NN(C)C(=O)OC)c1cccc(Cl)c1	875588418	CJVHZXMKBKQBEX-LLVKDONJSA-N	315.757	1.940	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCSCc1ccccc1C#N	875016815	ZAOIBOMZCSTTMR-UHFFFAOYSA-N	322.390	1.704	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)c1cc(Br)c[nH]1	770597430	WILVMRGHWUBKQQ-UHFFFAOYSA-N	324.182	1.837	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1nc(C2CC2)cs1	1123783917	XMKDTDOYAXBVAT-UHFFFAOYSA-N	316.477	1.492	50	20	DDGD	
COC(=O)Cc1cn([C@@]2(Cl)C[C@@H]2CCBr)nn1	881384118	ZSKUYZHKHCSIDN-XVKPBYJWSA-N	322.590	1.690	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N2C[C@H]3C=C[C@H]2C3)c(OC)c1	883479901	LVQWXCJPBXYMGX-QWRGUYRKSA-N	317.345	1.319	50	20	DDGD	
CC(C)(C)Oc1ccc(C(=O)NNC(=O)c2cccnn2)cc1	882059390	VVPMXRGJRIXTON-UHFFFAOYSA-N	314.345	1.729	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(F)c(F)c1)[C@@H](C)S(C)(=O)=O	885113802	MWVHXTMHEKCBIJ-JGVFFNPUSA-N	306.334	1.477	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNc1ncc(Cl)cn1	880802894	VNBSFDCXIQCTMK-WRWORJQWSA-N	306.757	1.662	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1c(OC)cccc1OC	887145615	KTQVLGHLIFBEBN-UHFFFAOYSA-N	304.346	1.197	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H]1CCc2nccn2C1	787225698	RCHXFKSHOAGVPK-LLVKDONJSA-N	314.345	1.375	50	20	DDGD	
COc1nc(C)cc(C)c1CNS(=O)(=O)CCCCl	881856094	FMKTYLSLCFMJFQ-UHFFFAOYSA-N	306.815	1.755	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cccc2nsnc12	880158082	XENMALIYTCDPKG-SNVBAGLBSA-N	306.347	1.021	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H](CCO)Cc1ccccc1	882156862	LDOWWHWIXCTBCO-ZDUSSCGKSA-N	305.827	1.528	50	20	DDGD	
C#CCCCC(=O)NNC(=O)COC[C@@H](C)c1ccccc1	887150838	ZJHPQWBSQFSTOE-CQSZACIVSA-N	302.374	1.758	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(OC)cc1OCC1CC1	788526425	JUXTUUHFMFCWGG-UHFFFAOYSA-N	321.377	1.790	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C[C@H]1NC(=O)c2ccccc21	896150375	YSSASOXHSSQBDV-GFCCVEGCSA-N	303.362	1.445	50	20	DDGD	
C[C@H]1CCc2[nH]nc(C(=O)NNC(=O)c3cccc(F)n3)c2C1	898991246	UHCOBENOWPPQNX-QMMMGPOBSA-N	317.324	1.143	50	20	DDGD	
C[C@]1(C#N)CCCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1	784444817	UKGPJWXQJFNOOZ-MRXNPFEDSA-N	318.352	1.212	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCC[C@H](C2(C)OCCO2)C1	784308862	OHDKAFRAOQMORI-NSHDSACASA-N	313.398	1.248	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)[C@@H]1[C@H]2CCCO[C@H]21	788562855	WVILDSAWKBPHKE-FBIMIBRVSA-N	317.374	1.468	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)c1c(C)nc2ccccn12	794897853	XAYVNVKOTSUNLH-OAHLLOKOSA-N	304.350	1.219	50	20	DDGD	
CN1CCCC[C@H](CNC(=O)NNc2ncc(F)cc2F)C1	897558100	VOPCSXHUWQCLFX-SNVBAGLBSA-N	313.352	1.718	50	20	DDGD	
COC(=O)c1ccc(/C=C(\C#N)C(=O)[C@H]2CCCOC2)nc1	899345810	VOWALIFZZHVPFY-ALFJJAPYSA-N	300.314	1.771	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42	794993955	GPJAISGJAXSRBC-DPKVAISUSA-N	314.307	1.480	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1cnn(C(C)C)c1	792377699	BDWHYRGVRJBROS-UHFFFAOYSA-N	302.338	1.249	50	20	DDGD	
N#CCC1(CNC(=O)NNC(=O)CCc2ccccc2)CC1	797562004	QBBXAKNSELONTH-UHFFFAOYSA-N	300.362	1.643	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)CNc1cccc(OC)c1	794906059	HTNWVZCEDNTJQK-ABAIWWIYSA-N	323.393	1.316	50	20	DDGD	
N#Cc1cccc(-n2ccc(C(=O)NNc3ccccn3)n2)c1	798990724	ZRBCBUYZDPNLFL-UHFFFAOYSA-N	304.313	1.896	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(C)n(C2CCCCC2)n1	798304865	MYSQTXLLMSBELF-UHFFFAOYSA-N	321.450	1.992	50	20	DDGD	
Cc1nn(C)c(C=NNC(=O)c2ccncc2)c1Br	790282094	QTUZMAAQKPQCIB-UHFFFAOYSA-N	322.166	1.650	50	20	DDGD	
CCc1ncsc1NC(=O)C(=O)NNc1ncccc1C	792378928	YOENUFRIXBSCIU-UHFFFAOYSA-N	305.363	1.491	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCc2sccc2C)n1	793033031	ULMAYIOVEDEUJN-UHFFFAOYSA-N	318.402	1.947	50	20	DDGD	
Cn1ncc2c1C[C@H](C(=O)NN=c1cc[nH]cc1Cl)CC2	798993226	PFRSBMBSZVHMEG-SECBINFHSA-N	305.769	1.139	50	20	DDGD	
COC(=O)C(=O)NN=C1CN(Cc2ccccc2)CC[C@H]1C	1319955365	QMDFUXAKIGWCHZ-GFCCVEGCSA-N	303.362	1.174	50	20	DDGD	
COC(=O)CN(Cc1cc(OC)cc(OC)c1)C(=O)CCl	1319786001	SFNUBZJWWARQQQ-UHFFFAOYSA-N	315.753	1.444	50	20	DDGD	
COC[C@H](CNC(=O)NNc1ccc(C(C)(C)C)nn1)OC	1325095461	HOIVEOKSWGPQRQ-JTQLQIEISA-N	311.386	1.062	50	20	DDGD	
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccn(C)n1	1325384401	DXHACOPQAUKUJY-NSHDSACASA-N	311.386	1.413	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C1(C(C)(F)F)CC1	1327193462	HNTXEZPPAWWSJA-VIFPVBQESA-N	320.336	1.547	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1n[nH]c2c1CCCC2)C(C)(F)F	1324254786	YOLYKNSIXYZQSU-ZETCQYMHSA-N	300.309	1.341	50	20	DDGD	
CCc1cc(C(=O)NC[C@@]2(C)C[C@H]2Br)nn1C	1328632883	ALELDLADHSJRKS-ZYHUDNBSSA-N	300.200	1.886	50	20	DDGD	
CN(C)c1ccc(CCNC(=O)NNc2ncncc2F)cc1	1324216575	DVLUAVUGRXOECQ-UHFFFAOYSA-N	318.356	1.551	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cn(C)nc1-c1cnn(C)c1	1324390272	YRLHANDNCOGFEZ-MDZDMXLPSA-N	300.322	1.203	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1coc(C2CCOCC2)n1	1320825476	RMXVRPAZERKPJZ-UHFFFAOYSA-N	307.285	1.255	50	20	DDGD	
Cc1cccc([C@@H](C)CNC(=O)NNC(=O)C2CCNCC2)c1	1325311736	TXBYMCBWXXSPPF-ZDUSSCGKSA-N	318.421	1.429	50	20	DDGD	
CCOC(=O)c1ncc(C(=O)NNC(=O)OC(C)(C)C)s1	1322823106	OLHPQDWGZMIRJS-UHFFFAOYSA-N	315.351	1.489	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2cc3c(cn2)OCCC3)c1	1333253261	MFURJFSAQPDPHN-UHFFFAOYSA-N	317.370	1.851	50	20	DDGD	
Cn1nc2ccccc2c1C(=O)NNC(=O)c1ccc(C#N)cc1	1338268145	SBOQKCOHBCOKOR-UHFFFAOYSA-N	319.324	1.520	50	20	DDGD	
COc1cccc2c1OCCCC2=NNC(=O)C[N+](C)(C)C	1261893799	BQSIAXAAHCZBSM-UHFFFAOYSA-O	306.386	1.394	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccc(C(C)(C)C)nn2)[nH]1	1347813194	LPXCXVFIUBQPMV-UHFFFAOYSA-N	317.349	1.646	50	20	DDGD	
CCN(CC)CCCNC(=O)C1CCN(C(=O)CCl)CC1	1341509528	GDLUPSQGFZKFES-UHFFFAOYSA-N	317.861	1.312	50	20	DDGD	
Cc1ccn(-c2cccc(C(=O)NNc3ncncc3F)c2)n1	1343997996	NNXNZGNSHDXJSB-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccn(CC(F)(F)F)n1	1346676654	RXBCAMGAZNPAES-UHFFFAOYSA-N	304.272	1.397	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)NC/C=C/C1CC1	1344551221	DCLRIBYAQJYIPU-ONEGZZNKSA-N	313.361	1.173	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CCC[C@H](F)C2)n1	1349081890	MPRVTFIRCJQALG-NWDGAFQWSA-N	311.361	1.111	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)NC/C=C\C1CC1	1344551220	DCLRIBYAQJYIPU-ARJAWSKDSA-N	313.361	1.173	50	20	DDGD	
O=C(O)C1(C(=O)NNc2ccccc2OC(F)(F)F)CC1	1605936076	YVUUZRVSGNQCTI-UHFFFAOYSA-N	304.224	1.893	50	20	DDGD	
O=C(NNC(=O)C(=O)O)N[C@@H]1CCCc2ccc(Cl)cc21	1608477683	NDWQQEYQBRYZQC-SNVBAGLBSA-N	311.725	1.132	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NN=Cc1cc(C(=O)O)no1	1607166719	GRGYLMILMYEEHV-UHFFFAOYSA-N	323.692	1.799	50	20	DDGD	
CSc1cccc(C(=O)NNc2ncccc2C(=O)O)n1	1604971597	BJNGRLYILRKFMT-UHFFFAOYSA-N	304.331	1.654	50	20	DDGD	
O=C(CNc1ccccc1)NN=Cc1cccc(-c2nn[nH]n2)c1	1609528610	GHBOFXFDGMBFKU-UHFFFAOYSA-N	321.344	1.429	50	20	DDGD	
CC(C)Cn1ccc(C(=O)NNc2ccccc2C(=O)O)n1	1603859744	NRYCXXYADLITBM-UHFFFAOYSA-N	302.334	1.994	50	20	DDGD	
O=C(NCC[C@@H]1C[C@H]2CC[C@H]1O2)NNc1cccc(C(=O)O)c1	1601493453	XTYFSBVXZVFGII-LERXQTSPSA-N	319.361	1.969	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C[C@@H](C)CC(=O)O)c1	1600545121	NZRYKLTWGVWGRG-LLVKDONJSA-N	308.334	1.022	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNc2ncccc2C(=O)O)c1	1605254495	LOOFRGKXRDJJGB-UHFFFAOYSA-N	315.329	1.919	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)N[C@H](C)C2CC2)oc1C(=O)O	1607579960	LRAUULVYJXUUBS-SSDOTTSWSA-N	311.363	1.194	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(C(=O)O)cn2)nn1C(C)C	1600095492	TZMYRZKCEOZRMU-UHFFFAOYSA-N	303.322	1.623	50	20	DDGD	
Cc1nc(Cl)ccc1C(=O)NNc1ccc(C(=O)O)cn1	1610556751	TYAYZROUFUCDPH-UHFFFAOYSA-N	306.709	1.894	50	20	DDGD	
Cc1cccc2c1CCC2=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549320322	ZDQNKXZIQZSJPE-SUMWQHHRSA-N	313.401	1.625	50	20	DDGD	
C#CC(=O)N1CC[C@H](CNC(=O)[C@H](F)Cl)[C@H]1c1cccnc1	1808322122	PTGXAGVNWAYSCR-BNOWGMLFSA-N	323.755	1.255	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)c(F)c1	1549313875	IVNOLDNMORWTNF-SWLSCSKDSA-N	321.352	1.148	50	20	DDGD	
O=C(COc1cc(F)cc(F)c1)NNc1ncccc1C(=O)O	1574531884	QPRRBZPYKCQPAB-UHFFFAOYSA-N	323.255	1.580	50	20	DDGD	
CCCN(NC(=O)[C@@H]1CCO[C@@H]1CN)C(=O)OC(C)(C)C	1577531194	XJWQHSSOZRDWDZ-GHMZBOCLSA-N	301.387	1.029	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNc1ccc(C(=O)O)c(F)c1	1588920253	VWHXYMAUUDYMNK-NEPJUHHUSA-N	309.297	1.494	50	20	DDGD	
COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)C(C)C)C2	1846361127	ALIVRUCZFREONB-NSHDSACASA-N	302.802	1.100	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H]2C[C@H]2F)C1	1845095081	MAPGIOZEVOROOF-HBNTYKKESA-N	302.777	1.565	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cnoc2)C1	1843474304	WKWWPTZPDDVGFQ-NSHDSACASA-N	311.769	1.509	50	20	DDGD	
O=C(O)CC1(C(=O)NNc2nccnc2C2CCC2)CCC1	1594976217	FYMZSBWGEFPIOB-UHFFFAOYSA-N	304.350	1.832	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)C(C)C	1847631497	YYCVTAXXYQEIEM-ZDEQEGDKSA-N	316.829	1.223	50	20	DDGD	
CN(C)Cc1ccc(C(=O)NN=Cc2cc(C(=O)O)cs2)o1	1598249208	WZWXPYAJKAJORG-UHFFFAOYSA-N	321.358	1.865	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCCCC[C@H]1C(=O)O	1590701027	CIZBHFFDFYVBRX-JTQLQIEISA-N	311.831	1.910	50	20	DDGD	
CO[C@@H](C(=O)O)C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	1593911031	GDRFTYZSQQDUDG-SECBINFHSA-N	317.223	1.120	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1Cc2ccccc2[C@H](C(=O)O)C1	1596859463	CHFJICAFLLQOFO-IEZBTEQYSA-N	300.314	1.641	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2ccc(O)c(F)c2)cc1	1776099896	GLQDNRUKAYALMX-UHFFFAOYSA-N	302.261	1.993	50	20	DDGD	
O=C(CC[C@H]1CCCCO1)NNC(=S)Nc1ccccn1	161695182	ZYEXNVPEZFAFOC-LLVKDONJSA-N	308.407	1.749	50	20	DDGD	
CN(CC(=O)NNc1ccc(C(C)(C)C)nn1)[C@H]1CCSC1	161730087	SWSSGKIHNIGQLB-NSHDSACASA-N	323.466	1.655	50	20	DDGD	
O=C(NC1CC1)[C@H]1CCCN1S(=O)(=O)CCCCCl	163412706	ZXLXAWHGHCVMST-LLVKDONJSA-N	308.831	1.078	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCOc3ccccc32)[nH]n1	151196394	NPRJNOICDNZNEU-LLVKDONJSA-N	300.318	1.045	50	20	DDGD	
N#Cc1cccc(NNC(=O)CCOc2cccc(C(N)=O)c2)c1	152602403	AIHYXGLOVYIDAC-UHFFFAOYSA-N	324.340	1.569	50	20	DDGD	
N#Cc1cccc(NNC(=O)C(=O)NCCCc2ccccc2)c1	152345264	BKPBTDLOPZZGGT-UHFFFAOYSA-N	322.368	1.750	50	20	DDGD	
O=C(Cn1cc(C2CC2)nn1)NNc1ccccc1[N+](=O)[O-]	155541223	RIBDMBWLVHBMAV-UHFFFAOYSA-N	302.294	1.207	50	20	DDGD	
C[C@@]12CCC(=O)N1[C@H](C(=O)NNc1ccc(C#N)cc1)CS2	155551984	SQQDCKHYWBKHGX-SWLSCSKDSA-N	316.386	1.455	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Cc1c[nH]c2ccc(Cl)cc12	155130302	GYLRBIJLRYAPMB-UHFFFAOYSA-N	308.769	1.073	50	20	DDGD	
NC(=O)c1ccc(OCC(=O)NNc2cccc(F)c2)cc1	154444876	GFOCWPBHHWWOIV-UHFFFAOYSA-N	303.293	1.447	50	20	DDGD	
COc1ccc(NNC(=O)c2cccc([N+](=O)[O-])c2N)nc1	159606082	FXKROBXZKOFZRQ-UHFFFAOYSA-N	303.278	1.338	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cc(F)ccc1OC	67431543	IIRMCKQMXNDVGN-UHFFFAOYSA-N	318.304	1.918	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)c2cscn2)c1	103217282	OZFNSFBKOWLTCY-UHFFFAOYSA-N	302.384	1.756	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)N[C@H]1CCCc2occc21	177354701	SKGAWWWFCKSOGM-ZDUSSCGKSA-N	314.345	1.625	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CCc2ccoc2)c1	177556554	GTASEKCSZIMZKB-UHFFFAOYSA-N	302.330	1.747	50	20	DDGD	
CC(C)C(=O)NCCNC(=O)NNc1ccc(Cl)c(F)c1	175187076	AHPQWKLABRXSLZ-UHFFFAOYSA-N	316.764	1.877	50	20	DDGD	
CC[C@H]1CN(CC(=O)NNC(=O)c2ccccc2)CCS1	173925059	UXZQKEVXZQARRL-ZDUSSCGKSA-N	307.419	1.275	50	20	DDGD	
COc1cc(Cl)c(Cl)cc1C(=O)NNC(=O)N(C)C	176259126	CYKLDVAJSLOWRQ-UHFFFAOYSA-N	306.149	1.918	50	20	DDGD	
Cc1cc(O)cc(=O)n1CC(=O)NNc1cccnc1Cl	177362911	IAGONOQFUXCMOK-UHFFFAOYSA-N	308.725	1.054	50	20	DDGD	
N#Cc1ccc(C(=O)NCC(=O)NNc2cccc(C#N)c2)cc1	119932696	IGUZBQLHUVKMTL-UHFFFAOYSA-N	319.324	1.303	50	20	DDGD	
O=C(CCOC[C@H]1CCCO1)NNc1ccc(Cl)nn1	118503513	DQGPBXKFPZYWRY-SECBINFHSA-N	300.746	1.159	50	20	DDGD	
CCO[C@@H](C)C(=O)NNC(=O)c1cccc(Br)c1	174536436	VQILLWSFBFMWRF-QMMMGPOBSA-N	315.167	1.635	50	20	DDGD	
O=C(CN[C@H](c1ccc(F)cc1)C1CCC1)NNC(=O)C1CC1	112980125	QZJFHJYEDZSENA-INIZCTEOSA-N	319.380	1.814	50	20	DDGD	
O=C(Cc1ccccc1[N+](=O)[O-])NNC(=O)NCC(F)(F)F	60415356	ZTCICYBBTQJXBR-UHFFFAOYSA-N	320.227	1.030	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1)c1ccc2c(c1)C(=O)NC2=O	120141859	BCFFXUQAIHFOQT-UHFFFAOYSA-N	315.716	1.981	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C(=O)Nc2cccnc2)cc1	121226457	UEQYHMYQQIUUSG-UHFFFAOYSA-N	312.329	1.044	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NCCn1ccnc1	69720614	SWCCJLJAMKJYEF-UHFFFAOYSA-N	315.377	1.236	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1cccnc1Cl	126089022	IOFUWPUEWZAZLE-UHFFFAOYSA-N	312.757	1.257	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNC(=O)Cc2cccnc2)cc1	186355785	AEDDAADVPXKUJD-UHFFFAOYSA-N	312.329	1.680	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@@H](N(C)C)C1	74252900	WMDVPFSPLVOQNF-CYBMUJFWSA-N	312.845	1.905	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)CCc1ccsc1	77163797	SYYLMXWDWQVSDK-UHFFFAOYSA-N	311.407	1.133	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)[C@H]1CCCN(C)C1	73988090	ZMXKRXJLVBXUSI-ZDUSSCGKSA-N	312.845	1.905	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N[C@@H]1CC=CCC1	77641008	LRJIOAOXGJULOL-GFCCVEGCSA-N	313.361	1.695	50	20	DDGD	
C=C[C@@H](C)NC(=O)NNC(=O)c1cccc(Br)c1	128353802	BWUHFZGYYVDASE-MRVPVSSYSA-N	312.167	1.968	50	20	DDGD	
COCCCC(=O)NNC(=O)c1ccc(Br)s1	78884983	BTOFLMAQMYFPBT-UHFFFAOYSA-N	321.196	1.698	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)c1c(C)nc2ccccn12	127846362	KPCKQPGZVQOAPI-JTQLQIEISA-N	306.391	1.545	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccccc2)cc1[N+](=O)[O-]	181273568	NXHIRBLTPIGYQY-UHFFFAOYSA-N	314.301	1.985	50	20	DDGD	
N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)S(=O)(=O)NC1CC1	188036472	DTRYNXLYHFCPQU-BJMVGYQFSA-N	309.303	1.247	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccccc1-n1cccn1	183999579	VACKYEZIEQBHQE-UHFFFAOYSA-N	303.322	1.062	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCCc1cccnc1	122852216	UNENTJQKYKOQAB-UHFFFAOYSA-N	313.361	1.968	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCc1ccc(=O)[nH]c1	73798150	PJMVFJCOYCKNCP-UHFFFAOYSA-N	308.769	1.357	50	20	DDGD	
CCC[C@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)C(C)C	134865583	QVJLESGXPHQFFY-NSHDSACASA-N	306.366	1.240	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1cnn(-c2ccccc2)c1	213508096	YOWAFXHDEOQTNA-GDNBJRDFSA-N	310.357	1.932	50	20	DDGD	
COc1ccnc(NNC(=O)Cc2c[nH]c3c(C)cccc23)n1	131333404	KKEOIYBQTISJON-UHFFFAOYSA-N	311.345	1.961	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2ccc3c(c2)CCC3)c1	190036594	XKIDFNISYIUABA-UHFFFAOYSA-N	310.357	1.961	50	20	DDGD	
Cc1cccc(Cl)c1NC(=O)NNC(=O)c1cnn(C)c1	132855658	XHMBVQWWMRKCJG-UHFFFAOYSA-N	307.741	1.848	50	20	DDGD	
Cc1[nH]c2ccc(C(=O)NNC(=O)N3CCOCC3)cc2c1C	194899962	GCJYUNRXBSUOJU-UHFFFAOYSA-N	316.361	1.471	50	20	DDGD	
O=C(NNc1ccc(Br)cc1)c1ccc[nH]c1=O	48425876	HSDKDIYPFQHARA-UHFFFAOYSA-N	308.135	1.894	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@H]2CCC[C@@H](C)C2)n1	47035888	XJIRQYWRIYRMHU-MFKMUULPSA-N	307.398	1.409	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)CCc1ccccc1)C1CCOCC1	134953038	BZKQGCMTTVBVOY-CYBMUJFWSA-N	319.405	1.765	50	20	DDGD	
O=C(NNc1ncccn1)c1ccc(OC[C@H]2CCCO2)cc1	46577174	TZJLFDMKUUJFBM-CQSZACIVSA-N	314.345	1.791	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C2(O)CCCCC2)cc1C	86556016	GAJCYHQVWMPZKE-UHFFFAOYSA-N	320.389	1.525	50	20	DDGD	
CN(C)c1ccnc(C(=O)NNc2ccccc2[N+](=O)[O-])c1	195490431	RVUHVTGYYPNLBF-UHFFFAOYSA-N	301.306	1.813	50	20	DDGD	
N#CCOc1cccc(CC(=O)NNc2nc3ccccn3n2)c1	191887329	UPUBPHQTNRAPPS-UHFFFAOYSA-N	322.328	1.317	50	20	DDGD	
CC(C)CCC(=O)NCC(=O)NNc1cc(C#N)cc(Cl)n1	93545864	LRZHKHQIEGYHKR-UHFFFAOYSA-N	323.784	1.602	50	20	DDGD	
CN(C)C(=O)c1cccc(NC(=O)NNc2ncccn2)c1	149162595	FDUICSIHMMKZNN-UHFFFAOYSA-N	300.322	1.327	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(OCC(F)F)nc1	90367764	BMWVOAUEEVOMHO-UHFFFAOYSA-N	316.333	1.020	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@@H](C)C2)ncn1	246845282	ZHUQBCVYJGUAMJ-YDHLFZDLSA-N	321.425	1.362	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](C[S@@](C)=O)c1ccccc1	269448214	BKOIKUKBVPCZOU-NEGSRWBASA-N	306.387	1.666	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)[C@H]1C[C@H]2CC[C@H]1O2	265002386	DWJJMRPWPYZFDV-OUAUKWLOSA-N	301.306	1.142	50	20	DDGD	
Cc1ccc(C2(C(=O)NNC(=O)C3CCC3)CCOCC2)cc1	264695399	IMWSHRLPLDTBBS-UHFFFAOYSA-N	316.401	1.991	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2ccc(N(C)C)nc2)o1	267798352	XQZCHIDDRGRFKC-UHFFFAOYSA-N	317.349	1.193	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)C1CCSCC1	264906964	MLTJEALSRSVBAS-UHFFFAOYSA-N	310.375	1.062	50	20	DDGD	
COC(=O)[C@H]1CN(CCO[Si](C)(C)C(C)(C)C)CCO1	616644564	FQFISJIUNDNZIH-GFCCVEGCSA-N	303.475	1.882	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccccc1O)[C@@H]1CCCCO1	272167071	YDNLRKDVBGVPLV-MFKMUULPSA-N	307.350	1.294	50	20	DDGD	
N#CC1=CCN(CC(=O)N2CCN(Cc3ccccc3)CC2)CC1	272721260	ZJZMFGHGJSETBY-UHFFFAOYSA-N	324.428	1.486	50	20	DDGD	
CC1=C(C(=O)NNc2cccc(Cl)c2)Cn2nnnc2N1C	366714033	OPSVIOUPMIJEOO-UHFFFAOYSA-N	319.756	1.194	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc(C)cc(C)c1	276645729	YHARJLYXWSDRBL-UHFFFAOYSA-N	308.378	1.854	50	20	DDGD	
COc1ccc(NNC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)nc1	364630613	NCSPQRMKFWTTNT-VDQHWBOFSA-N	317.389	1.865	50	20	DDGD	
CC(C)(C)c1nsc(NC(=O)NNC(=O)c2ccccn2)n1	273422046	SJQIRDGEAIAUFI-UHFFFAOYSA-N	320.378	1.697	50	20	DDGD	
COC(=O)NNC(=O)CCCc1nc(O)c2ccccc2n1	276863324	IZIDTIYBMXITNL-UHFFFAOYSA-N	304.306	1.045	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CCC3(CCO3)CC2)cc(C#N)n1C	367081369	SBGNSUDRPIIZKG-OQLLNIDSSA-N	324.384	1.894	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1cccc(Br)n1	276202546	YXSGKBNJHBCXEJ-UHFFFAOYSA-N	313.155	1.797	50	20	DDGD	
CN(C)c1ccc(C(=O)NNc2nnc(C3CC3)s2)cn1	273554139	CMMSBAIVBCCTNN-UHFFFAOYSA-N	304.379	1.633	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CC2CC2)ccc1C(=O)N(C)C	273469420	JJMKLCMZJWSTFH-UHFFFAOYSA-N	318.377	1.650	50	20	DDGD	
O=C1CCC[C@H](C(=O)NNc2ccccc2OC(F)(F)F)N1	275118654	GIUPJTHQGRPUHK-SECBINFHSA-N	317.267	1.697	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)c2cc(C)oc2C)c(C2CC2)n1	280946445	HAYLRJOBGZNXTL-UHFFFAOYSA-N	314.345	1.947	50	20	DDGD	
C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccccc1	285078836	LBDHLEXDQSRRSO-NSHDSACASA-N	321.377	1.608	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H](CO)CC1CCC1	280064715	XDRVFYCSHRGDHM-LBPRGKRZSA-N	321.377	1.190	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2cnc(C)s2)c1	299485521	GZEDRDSKFAYEFN-UHFFFAOYSA-N	319.386	1.908	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)[C@H]1CCCC12OCCO2	807425848	DCKBSXXDHZAUSX-LLVKDONJSA-N	314.345	1.616	50	20	DDGD	
COc1cnc(NC(=O)NNc2ccc(Cl)nn2)s1	806513460	ISALLLKBZGUFQF-UHFFFAOYSA-N	300.731	1.744	50	20	DDGD	
Cc1nn(C(C)(C)C)cc1C(=O)NNC(=O)[C@H]1CCCCO1	295667542	WQFDRZZOLNYIBE-GFCCVEGCSA-N	308.382	1.277	50	20	DDGD	
C[C@@H](Oc1ccccc1)C(=O)NNC(=O)N=c1cc[nH]cc1	802033233	OYBMYTGIOMOAQW-LLVKDONJSA-N	300.318	1.124	50	20	DDGD	
COCC1(CCNC(=O)NNC(=O)c2ccc(C)o2)CCC1	297791910	OMANEVJIKZKULI-UHFFFAOYSA-N	309.366	1.739	50	20	DDGD	
CC[S@@](=O)c1ccccc1C(=O)NNC(=O)[C@H]1CCCCO1	295631431	SNWVOGMJSXXYPF-VERVWZFWSA-N	324.402	1.144	50	20	DDGD	
N[C@H]1CCCC[C@@H]1CC(=O)NNc1nc(-c2ccncc2)no1	294658938	AFMFSNDRBAJEKN-NEPJUHHUSA-N	316.365	1.482	50	20	DDGD	
COCc1cccc(CC(=O)NNC(=O)[C@@H]2CCCCO2)c1	295691970	ZGNZLXXUHXCVFB-AWEZNQCLSA-N	306.362	1.092	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1nc(C(C)C)oc1C	803912025	FJQVUMIHSFUROY-SECBINFHSA-N	311.338	1.209	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)C2(C(F)(F)F)CCC2)n1	294404876	PRDJRGLKPMXEDW-UHFFFAOYSA-N	318.299	1.380	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)Nc1cc(F)cc(F)c1)C1CC1	291547252	AKCDCBMLDOZQNV-CQSZACIVSA-N	313.304	1.933	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(C)c(C#N)c1	807370526	LIHQMGDHBAHQSA-UHFFFAOYSA-N	319.361	1.417	50	20	DDGD	
O=C(/C=C/c1cccs1)NNc1ccc(-n2ccnc2)nn1	804956144	BCKKBEGNUGJNJI-ZZXKWVIFSA-N	312.358	1.880	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802099464	SQGXZXBYRVNBOH-SECBINFHSA-N	309.322	1.241	50	20	DDGD	
COC(=O)[C@H]1CCCC(=NNC(=O)COc2ccccc2O)C1	814952733	MFQUCRYCZRGVLL-NSHDSACASA-N	320.345	1.606	50	20	DDGD	
O=C(CCc1nc(-c2ccco2)no1)NNc1ncncc1F	817080709	BNXZEVCBDTYOJS-UHFFFAOYSA-N	318.268	1.335	50	20	DDGD	
O=C(Cc1nsc2ccccc12)NNC(=O)[C@@H]1CCCCO1	819542889	AAOYOBNFKQUHPI-LBPRGKRZSA-N	319.386	1.555	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@H]2C[C@H]3C=C[C@H]2CC3)n1	817787027	CVKFXASBUKFTNI-SRVKXCTJSA-N	303.366	1.714	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)nc1	810394106	YDGITCPUHRWITD-UHFFFAOYSA-N	313.292	1.483	50	20	DDGD	
C[C@](C#N)(CC(=O)O)C(=O)NNc1ccc(F)c(F)c1F	819846333	AMSUFIGSVMROHF-GFCCVEGCSA-N	301.224	1.552	50	20	DDGD	
CCC1(CC)C(=O)NCCC1=NNC(=O)N=c1cc[nH]cc1	819812857	IDSZEFYZKOORRK-UHFFFAOYSA-N	303.366	1.307	50	20	DDGD	
COc1ccc(OCC(=O)NN=C(C)c2cc(OC)no2)cc1	814720606	SWJLVWNSVAOBIW-UHFFFAOYSA-N	319.317	1.611	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1cc(O)nc(C2CC2)n1	816926330	SCELGXOVVCZIBC-UHFFFAOYSA-N	306.713	1.260	50	20	DDGD	
Cc1nccc(CCC(=O)NNc2oc(C(C)C)nc2C#N)n1	814668829	FELOLFBVHFYBEG-UHFFFAOYSA-N	314.349	1.844	50	20	DDGD	
CCN1C(=O)C(=NNC(=O)Cc2cccnc2)c2cc(C)ccc21	728784854	VWIDMVANKDZJQR-UHFFFAOYSA-N	322.368	1.820	50	20	DDGD	
CC(=NNC(=O)COc1ccc(Cl)cc1)c1cnnn1C	814723943	YCRBHTYIDZLWTI-UHFFFAOYSA-N	307.741	1.388	50	20	DDGD	
CC1(C)[C@@H](c2ccccc2)CCN1CC(=O)NNC(=O)C1CC1	817297658	UFVAXIPWMNXOFV-OAHLLOKOSA-N	315.417	1.812	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(CC(=O)OC)c(F)c1	817708494	YWMVRQPPUZLGET-LUAWRHEFSA-N	306.293	1.924	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1COc2ccc(Cl)cc21	814865779	YRCMABBVFNIETP-SECBINFHSA-N	312.753	1.604	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(-n3cnnn3)cc2)cc1	729273781	DRCUPJCDUBLYDM-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cnn(C)c2Cl)c(OC)c1	814840350	MLHFABLEEQWEBY-UHFFFAOYSA-N	322.752	1.855	50	20	DDGD	
COC(=O)COc1ccc(C(=O)NNC(=O)CC(C)(C)C)cc1	728606986	SNQROMWRARHXFY-UHFFFAOYSA-N	322.361	1.436	50	20	DDGD	
C[C@@H]1SCC[C@H]1NC(=O)NNC(=O)c1ccc(C#N)cc1	825814556	FVDIDEGEQPJIAC-JOYOIKCWSA-N	304.375	1.396	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CC(F)(F)F)c(Cl)n1	823368798	PEFMUUSVLOBFTP-UHFFFAOYSA-N	311.647	1.457	50	20	DDGD	
O=C(/C=C/c1ccc[nH]1)NNC(=O)c1nnc(O)c2ccccc12	491990800	NUUXNSXLLQRCTO-BQYQJAHWSA-N	323.312	1.138	50	20	DDGD	
CCNC(=O)NNC(=O)c1sc(Br)nc1C	823798573	GOSGTZNFMXZSJY-UHFFFAOYSA-N	307.173	1.178	50	20	DDGD	
CC[C@@H](CC(C)C)C(=O)NNc1nccc(N2CCOCC2)n1	826966493	PJRZJVOBDBCSIZ-ZDUSSCGKSA-N	321.425	1.829	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CC1CCN(CC(F)F)CC1	821783103	CWRWYJOBRCHVJX-UHFFFAOYSA-N	306.357	1.046	50	20	DDGD	
CCN(CCO)NC(=O)CCNc1cc(Cl)ccc1OC	823852607	KWEIOYRTUNBOHL-UHFFFAOYSA-N	315.801	1.496	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NNC(=O)C(C)(C)C	490751051	LYTAJKDDSIWUIT-JTQLQIEISA-N	313.398	1.579	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NN=C1COC(C)(C)C1	496909900	RMRWWENXEXXHCF-UHFFFAOYSA-N	313.398	1.962	50	20	DDGD	
OB(O)c1ccc(CNC2CCC3(CCOCC3)CC2)cc1	585026770	RXFYVBBXRDDFBW-UHFFFAOYSA-N	303.211	1.195	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CCCC(=O)C1CC1	826981841	ACCSSPQAIQMSDZ-UHFFFAOYSA-N	302.374	1.834	50	20	DDGD	
O=C(/C=C/c1ccc2[nH]ccc2c1)NNC(=O)N=c1cc[nH]cc1	493690560	PDYXPCMXWYUPOI-DUXPYHPUSA-N	321.340	1.851	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)c1ccccc1O)C1CCCC1	823299881	HOSQSIZMUXCMMW-CQSZACIVSA-N	321.377	1.541	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cccc(C#N)c1)N(CC)CC	736012630	HWKRHUVUUQNXFZ-AWEZNQCLSA-N	302.378	1.440	50	20	DDGD	
OB(O)c1ccc(CNCCCCc2ccc(F)c(F)c2)o1	585036648	NOXLGGUZCISFPX-UHFFFAOYSA-N	309.121	1.350	50	20	DDGD	
CC(C)C[C@]1(C)CCCN1C(=O)c1cc(B(O)O)ccc1F	584995722	QOWRNFCPYDTELW-INIZCTEOSA-N	307.174	1.546	50	20	DDGD	
C[C@@H](NCc1cccc(B(O)O)c1)c1nc(C(C)(C)C)cs1	585022521	POEFDFBGCHRURO-LLVKDONJSA-N	318.251	1.971	50	20	DDGD	
OB(O)c1ccc(CNC[C@H]2CCCC[C@@H]2C(F)(F)F)o1	585031507	WJVSSXMYKUBKRK-KOLCDFICSA-N	305.105	1.418	50	20	DDGD	
CC1=C(C)C(=O)N(CCC(=O)NNc2cccc(F)c2)C1=O	901162937	QDVMWXUXZHWHJB-UHFFFAOYSA-N	305.309	1.364	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCc1ccc(C(=O)O)o1	738756174	IBSWOASERZJZPQ-UHFFFAOYSA-N	317.301	1.430	50	20	DDGD	
COC(=O)[C@@]1(c2ccccc2)CCN(S(=O)(=O)CCl)C1	831606976	UKDUAKQIKKEQEN-ZDUSSCGKSA-N	317.794	1.329	50	20	DDGD	
COc1cc(C)c(C)cc1NCc1ccc(B(O)O)cc1F	585047566	RLXAENCDYQGGRY-UHFFFAOYSA-N	303.142	1.743	50	20	DDGD	
O=S(=O)(CCl)N1CCn2c(nnc2-c2ccccc2)C1	830755102	WTVZCNYGLSLPSA-UHFFFAOYSA-N	312.782	1.287	50	20	DDGD	
C[C@@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)[C@H]2CCCC[C@H]12	584972814	HOMJQGIPXFLAIM-HCKVZZMMSA-N	305.158	1.156	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1cccc(N(C)C)c1)C(F)F	836509247	OWQQTAJFRFAFHO-NSHDSACASA-N	314.336	1.740	50	20	DDGD	
CN1C(=O)CC[C@@H]1CC(=O)NNc1cccc(F)c1[N+](=O)[O-]	834736144	HJVHTIKUCWCCRF-MRVPVSSYSA-N	310.285	1.188	50	20	DDGD	
COCCOc1ccc(C=NNC(=O)Cc2csc(C)n2)o1	901143985	PDKIKPJQGYPEEB-UHFFFAOYSA-N	323.374	1.763	50	20	DDGD	
COc1cccc(NNC(=O)[C@]2(C)C[C@H]2Br)n1	907258519	OMAZPUGLTJCZCC-RDDDGLTNSA-N	300.156	1.707	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2(C(F)(F)F)CCCCC2)n[nH]1	831423768	GSZKJRGZJMBMIX-UHFFFAOYSA-N	318.299	1.992	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cccc(Nc2ncccn2)c1	732142899	MOBRGUNDLIKLQK-UHFFFAOYSA-N	311.345	1.781	50	20	DDGD	
CCCN1CCC[C@H](C(=O)NNC(=O)CCc2ccccc2)C1	906484057	RZNRJWHNUCAAHH-INIZCTEOSA-N	317.433	1.889	50	20	DDGD	
Cc1ccc([C@@H](C)NC(=O)NNC(=O)c2cnn(C)c2)s1	735581482	ITBFIFKCHDGFFU-SECBINFHSA-N	307.379	1.495	50	20	DDGD	
O=C(NCCC1CC(F)(F)C1)NNC(=O)[C@H]1CCCCO1	836677656	UZUUNWYGHUDKQG-SNVBAGLBSA-N	305.325	1.321	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccccc1C(C)(F)F	836728241	XFCJXDVDCKFLPW-UHFFFAOYSA-N	301.293	1.988	50	20	DDGD	
CC(C)Cn1cc(C(=O)NNc2ccccc2C(=O)O)cn1	833493851	KOQAWDMYFZHTPB-UHFFFAOYSA-N	302.334	1.994	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NNc2ccccn2)C1	732253752	QHVYNTITGRQYIG-LLVKDONJSA-N	321.381	1.717	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H]2C[C@@H]2C(=O)O)cc1	736296370	APGGYSIVKABFGR-RYUDHWBXSA-N	304.346	1.466	50	20	DDGD	
CCCC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CCCC1	834937061	IBKCLGVEQHWURC-GFCCVEGCSA-N	300.424	1.884	50	20	DDGD	
O=C(N[C@H]1CCC[C@@H](C2CC2)C1)c1cc(B(O)O)ccc1F	584952802	WYEJPIIAJADFQD-YPMHNXCESA-N	305.158	1.204	50	20	DDGD	
CCC[C@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)CC1	584938282	YARKMZMLNUAAAR-LBPRGKRZSA-N	307.174	1.548	50	20	DDGD	
O=C(NNc1cccnn1)[C@@H]1CCCN(Cc2cccnc2)C1	736698175	CRBZTKVYTWJBEQ-CQSZACIVSA-N	312.377	1.227	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cc(Br)co1	837337569	GITXCPJWLSZKNT-UHFFFAOYSA-N	301.140	1.993	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)N[C@H](C)C[C@@H](C)N)cc1	831203755	ZLFSFRHOFUJPOU-VXGBXAGGSA-N	322.409	1.084	50	20	DDGD	
CCc1nc(NC(=O)NNC(=O)[C@@H]2CCCCO2)sc1C	836437474	NWDJIOCZZPESQH-JTQLQIEISA-N	312.395	1.736	50	20	DDGD	
CC[C@H](C(=O)NNc1ccccc1C(=O)O)N1CCCC1=O	833636217	LTVTYAUPFSERTH-GFCCVEGCSA-N	305.334	1.229	50	20	DDGD	
CC[C@H](C)[C@@H](C(=O)NNC(=O)c1ncon1)c1ccccc1	832825744	GGAUVFVSMLNTCE-CMPLNLGQSA-N	302.334	1.661	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)CC(F)(F)F	916093864	AFUGQXMBKCHZLJ-UHFFFAOYSA-N	304.268	1.728	50	20	DDGD	
CNC(=O)C[C@@H](C)NC(=O)NNc1c(F)cccc1Cl	838699012	ZAXVHTHQQKWXHL-SSDOTTSWSA-N	302.737	1.630	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H](C)c2ccco2)cc1OC	741515380	WMJFROQQGNWNCA-SNVBAGLBSA-N	318.329	1.862	50	20	DDGD	
COc1ccc(C(=O)NN=C2CCN(C)[C@H](C)C2)cc1OC	741454251	YHWQXVPJVPKOBN-LLVKDONJSA-N	305.378	1.904	50	20	DDGD	
C[C@@H](Cc1cnc[nH]1)C(=O)NNC(=O)Cc1ccccc1F	847475272	FUAFYRPVVPCLFW-JTQLQIEISA-N	304.325	1.118	50	20	DDGD	
N#CSCCCNS(=O)(=O)Cc1noc2ccccc12	916985601	JPKIQKXREMDZGB-UHFFFAOYSA-N	311.388	1.852	50	20	DDGD	
O=C(NNC(=O)c1ncccn1)N[C@@H]1CCCCC12CCCC2	841587051	FBUJEVFQJSOXDE-GFCCVEGCSA-N	317.393	1.924	50	20	DDGD	
CCn1nncc1C=NNC(=O)[C@H](C)Oc1cccc(Cl)c1	841636409	VHQYVMNOZLKZEW-JTQLQIEISA-N	321.768	1.869	50	20	DDGD	
CC[C@H](C)NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	849227592	ZWHPRMUGHQMZEJ-JTQLQIEISA-N	300.403	1.058	50	20	DDGD	
CC(C)(C)C(=O)Nc1nccnc1C(=O)NNc1ncccn1	742522023	TWPKGPHUZBJYFL-UHFFFAOYSA-N	315.337	1.008	50	20	DDGD	
CC(C[C@@H]1CCCC(=O)N1)=NNC(=O)COCc1ccccc1	841624696	APMQWTJBCGSGBK-HNNXBMFYSA-N	317.389	1.754	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)CCc1ccc(OC)cc1	749770001	ZLBJARXATSUPMV-LLVKDONJSA-N	309.435	1.922	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H](C)Cc1cnc[nH]1	848071359	OYNCAMSOLXBULE-JTQLQIEISA-N	303.322	1.948	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CC[C@H]([C@H]2CCOC2)C1	749770541	WYTDDKDLNCXVDX-KBPBESRZSA-N	317.389	1.708	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N[C@@H]1CC[C@@H](CN)C1)c1ccccc1	842011774	UYRRQMBOKUTMFP-TZMCWYRMSA-N	318.421	1.422	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N=c1cc[nH]cc1)C1CCC(O)CC1	841435648	WFRSXWMMIQTYFN-UHFFFAOYSA-N	320.393	1.234	50	20	DDGD	
Cn1ccnc(NNC(=O)[C@@H]2CSc3ccccc32)c1=O	747945527	KOWCACKRGBENQH-SNVBAGLBSA-N	302.359	1.113	50	20	DDGD	
CCN1C(=O)C(=NNC(=O)[C@H]2CCO[C@@H]2C)c2cc(C)ccc21	842556249	MFEMPBNMMMFJPF-NEPJUHHUSA-N	315.373	1.607	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)CCCc2ccccc2)CCN1	841983834	FBSHABOVXKFXIF-UKRRQHHQSA-N	318.421	1.480	50	20	DDGD	
COc1ccc(OC)c(C(C)=NNC(=O)[C@H]2CCO[C@@H]2C)c1	842555576	PGFVIFDSOLQKML-YPMHNXCESA-N	306.362	1.969	50	20	DDGD	
CC(C[C@@H]1CCCC(=O)N1)=NNC(=O)CNc1ccc(C)cc1	841604194	QSWJEDKKBCWYEW-HNNXBMFYSA-N	316.405	1.958	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2c(C)n[nH]c2C)cc1C	915955314	CTMFSYVAHXRICS-UHFFFAOYSA-N	313.361	1.732	50	20	DDGD	
O=C(COc1ccc(Cl)cc1)NN=C1CCS(=O)(=O)C1	912785238	ZHWHHFXVGDVHQQ-UHFFFAOYSA-N	316.766	1.010	50	20	DDGD	
C[C@H](C(=O)NNC(=O)NCCc1cccs1)c1cnn(C)c1	749923721	MOTJYBYJDQMYPN-JTQLQIEISA-N	321.406	1.158	50	20	DDGD	
C[C@@H](Cc1ccccc1)NC(=S)NNC(=O)[C@@H]1CCCCO1	840776045	SXXSHRXULYKAEZ-JSGCOSHPSA-N	321.446	1.682	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)N1CCOCC1)O[C@H](C)C2	745603218	XQZGZGXXRWVTPR-LLVKDONJSA-N	319.361	1.394	50	20	DDGD	
Cn1ccnc1[C@@H](CC(=O)NNc1cccnn1)C(F)(F)F	847714808	BZSSORZUYJFSCR-MRVPVSSYSA-N	314.271	1.389	50	20	DDGD	
COCC1(CC(=O)NNC(=O)[C@H](C)Oc2ccccc2F)CC1	843517482	MPFOTKRLHQUSTM-NSHDSACASA-N	324.352	1.557	50	20	DDGD	
O=C(NCc1ccon1)NNC(=O)C12CC3CC(CC(C3)C1)C2	747513291	VFYYDROYNPLCPN-UHFFFAOYSA-N	318.377	1.721	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C[C@H](C)NC(=O)OC(C)(C)C)n1	742510404	BPQLGLLWTBBUGD-NSHDSACASA-N	323.397	1.840	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NNC(=O)c1cccc(Cl)c1	746094746	DWTJXXGVYFAOFH-GHMZBOCLSA-N	309.797	1.974	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCc2c(O)cccc21)c1ncccn1	841449438	YMIDUPARWUQLCA-GFCCVEGCSA-N	312.329	1.063	50	20	DDGD	
Cc1cncc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)c1	742471546	GSDNNIGXNNOPIT-UHFFFAOYSA-N	313.357	1.847	50	20	DDGD	
CCc1ccc(C(=O)NNC(=S)NC[C@@H]2CCCCO2)cc1	758174681	HPWRSQPWPFHAML-AWEZNQCLSA-N	321.446	1.927	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CCc3c[nH]nc3C2)C[C@@H]1Br	857397554	KRWLLLFDVJYVFF-YDEJPDAXSA-N	312.211	1.804	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)NC1CC(F)(F)C1	759342015	KFQRPGMEOMNROZ-UHFFFAOYSA-N	319.333	1.514	50	20	DDGD	
COC[C@H](OC)C(=O)NNc1cc(F)ccc1Br	854940772	YZYUZLCEDZWOTH-JTQLQIEISA-N	321.146	1.693	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)CC1(C)CC1	757758305	AJXRQPQMRTYNKV-UHFFFAOYSA-N	306.362	1.802	50	20	DDGD	
CCC1(CNC(=O)NC[C@]2(C)C[C@@H]2Br)COC1	856862361	XSJVWFUWMJKSTD-ONGXEEELSA-N	305.216	1.886	50	20	DDGD	
O=C(NCc1nnc2n1CCC2)NNc1cc(F)cc(Cl)c1	853268856	FLKXEVYIIOBVPH-UHFFFAOYSA-N	324.747	1.843	50	20	DDGD	
CCCNC(=O)NNC(=O)C1(c2ccc(OC)cc2)CCC1	751372249	SVMVHOMQRIWFJT-UHFFFAOYSA-N	305.378	1.857	50	20	DDGD	
Cn1ncc(C(=O)NNc2nc(O)c3ccccc3n2)c1C1CC1	758307470	KSIJBYKBZAMIDJ-UHFFFAOYSA-N	324.344	1.703	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2cccc(C(=O)O)c2)CC[C@@H]1C(=O)O	853425895	IEEZFZGXCYRBGF-RNCFNFMXSA-N	318.329	1.991	50	20	DDGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cn(CC(=O)O)nn2)c1	759075188	HHSOTBMAWOSAHL-AWNIVKPZSA-N	310.313	1.769	50	20	DDGD	
O=C(NC[C@H]1CCCS1(=O)=O)NNc1cc(F)ccc1F	921518354	BEOGVMNBSCHYQN-SECBINFHSA-N	319.333	1.168	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2cccc(F)n2)CC2(CCC2)O1	852712363	JIKCLFCTNBTDJF-JTQLQIEISA-N	322.340	1.219	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc(CSc2nc[nH]n2)cc1	920499206	ACLUFZXRKZCVTG-UHFFFAOYSA-N	319.390	1.514	50	20	DDGD	
COCCN(C)CCCNC(=O)NNc1cc(F)ccc1C	853409433	ZIUXVDDSDASFSR-UHFFFAOYSA-N	312.389	1.729	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)OCC(F)(F)F)c(C)nn1	856022815	NBZDRFPKZPKQOH-UHFFFAOYSA-N	306.244	1.281	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2	855829148	HLGGFOCKOKBVGG-AVGNSLFASA-N	323.437	1.513	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)OCC(F)(F)F)c1C1CC1	856024292	PJANAQLEEWZGEO-UHFFFAOYSA-N	306.244	1.231	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ccc(C(F)F)nc2)n1	857485815	DHPMTDDMDCGYQE-UHFFFAOYSA-N	314.683	1.802	50	20	DDGD	
CN1CC[C@@H](C(=O)NNC(=O)c2cccn2C)c2ccccc21	750724351	IYDOMLFFGPPNRR-CYBMUJFWSA-N	312.373	1.410	50	20	DDGD	
CCn1ccnc1C=NNC(=O)c1cccc(S(C)(=O)=O)c1	755644916	PCMCQGUXTHUFPT-UHFFFAOYSA-N	320.374	1.070	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NC[C@@]2(C)C[C@H]2Br)C1	857404758	VIZIYIWXCGQTKL-DMDPSCGWSA-N	317.227	1.535	50	20	DDGD	
COc1cc(C(=O)NNc2ccncn2)cc2c1OCCO2	857520464	YDLSDPWQARGHMH-UHFFFAOYSA-N	302.290	1.013	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)C(C)(C)C	855831571	XCKOYJRYALRIRP-NSHDSACASA-N	313.442	1.759	50	20	DDGD	
Cc1ccc2c(c1)CN([C@H](C)C(=O)NNC(=O)CC(C)C)CC2	852404491	OZKNDOQEHFOZKN-CQSZACIVSA-N	317.433	1.935	50	20	DDGD	
CCn1cc(S(=O)(=O)NC[C@@]2(C)C[C@@H]2Br)cn1	856756189	LEYRNXRPHOVXDH-VHSXEESVSA-N	322.228	1.355	50	20	DDGD	
C[C@H]1CCCC[C@H]1OCC(=O)NNC(=O)c1cccc(F)n1	856424506	NNFLTWMIDRRAQE-CMPLNLGQSA-N	309.341	1.577	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cc2ccccc2o1)c1cnn(C)c1	750072293	UIUAFRUHNVKUCK-JTQLQIEISA-N	312.329	1.731	50	20	DDGD	
Cc1noc(C)c1C(=O)NNc1nc2ccccc2c(=O)n1C	752908920	SUFJKUNMSOUSJD-UHFFFAOYSA-N	313.317	1.295	50	20	DDGD	
COC(=O)c1ccc(CNS(=O)(=O)CC(C)(C)CCl)o1	866790618	XVSSBVZIKHKJII-UHFFFAOYSA-N	323.798	1.751	50	20	DDGD	
C/C(=C\C1CCC(C)CC1)C(=O)NNC(=O)C(=O)NC1CC1	864600687	LKIDDCAJEXVLFU-PKNBQFBNSA-N	307.394	1.185	50	20	DDGD	
O=C(Cn1cccnc1=O)NNc1c(Cl)cccc1Cl	763615339	BFFCTLVCNIFIKK-UHFFFAOYSA-N	313.144	1.693	50	20	DDGD	
Cc1ccc2nc(C(=O)NNC(=O)OCC(F)(F)F)cn2c1	862215972	HHCOZGCJFGIUKI-UHFFFAOYSA-N	316.239	1.576	50	20	DDGD	
COc1ccc(NC(=O)NNc2nc(C)cc(C)n2)c(OC)n1	769982264	AYUFRPOLYCISHY-UHFFFAOYSA-N	318.337	1.654	50	20	DDGD	
C[C@H](NC(=O)c1ccoc1)C(=O)NNc1nc2ccccc2[nH]1	768501400	FCNQGOZKAODJBB-VIFPVBQESA-N	313.317	1.418	50	20	DDGD	
O=C(NN=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccnc1	765993068	RVMBYGMKLFGCHN-UHFFFAOYSA-N	315.245	1.662	50	20	DDGD	
COC(=O)c1cc(C(=O)OC[C@@H](C)CBr)n(C)n1	869823118	LFUURJHXUCPFBH-ZETCQYMHSA-N	319.155	1.395	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc2c(c1)ncn2C	761256547	WKULTKVKNDMWMM-UHFFFAOYSA-N	301.394	1.755	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNCC(F)(F)C(F)(F)F)CCC1=O	863098028	YEAHROIQDLMKAJ-NKWVEPMBSA-N	302.243	1.810	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)[C@H]1CC12CCC2	764046528	NFDAXZGASMWCSB-SNVBAGLBSA-N	306.387	1.822	50	20	DDGD	
COc1ccc2c(c1)[C@@H](C(=O)NNC(=O)c1cccnc1)CC2	761391850	PSPHJBNXEWSBEO-AWEZNQCLSA-N	311.341	1.581	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cnn(-c3ccccc3)c2)n[nH]1	767411219	QABDRQPPSCGILN-UHFFFAOYSA-N	308.345	1.597	50	20	DDGD	
CO[C@](C)(C(=O)NNc1nnc(C)c(O)n1)c1ccccc1F	760793887	PKWZINFXOAHQFD-AWEZNQCLSA-N	321.312	1.030	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cc(C(N)=O)ccc1C	764652783	ULASFXFBYGLPFZ-UHFFFAOYSA-N	316.321	1.041	50	20	DDGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCN(CCC#N)CC1	879599332	LECDNMRAQMNVFL-BNCCVWRVSA-N	311.345	1.991	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@@H](O)CCc2ccccc2)c1Cl	1116419686	PRYLYLPFOKBORC-NSHDSACASA-N	321.768	1.149	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H](OCC)C2CC2)c1	874951194	BOSKZKXUBCHNJR-CQSZACIVSA-N	317.414	1.801	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1cn(Cc2cccnc2)nn1	1116738335	WOAYZOLPMDWBAA-MLPAPPSSSA-N	303.347	1.021	50	20	DDGD	
CC1(C)OCC(C)(C(=O)NNc2nc3ccccc3[nH]2)CO1	775619433	WPOZKYBLEYXEDO-UHFFFAOYSA-N	304.350	1.795	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(F)c(F)c(F)c1	772089266	BLSJBJSZSLNYNS-LURJTMIESA-N	318.251	1.207	50	20	DDGD	
CC(C)Cc1nnc(NC(=O)NNc2ncc(F)cn2)s1	775444301	FXEVKWDXDWSFLY-UHFFFAOYSA-N	311.346	1.814	50	20	DDGD	
CC[C@H](CO)C(=O)NNC(=O)c1ccc(Br)s1	779724108	DJUMATNNNWWBTL-ZCFIWIBFSA-N	321.196	1.290	50	20	DDGD	
Cc1csc(C(=O)NN=Cc2cn(C[C@@H]3CCCO3)nn2)c1	872392711	VXUPFRAUZKETTA-LBPRGKRZSA-N	319.390	1.591	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@H]2CCc3ccccc3OC2)cc[nH]1	875564620	ITDDYRNEUBBCRV-HNNXBMFYSA-N	312.373	1.832	50	20	DDGD	
Cc1cc(O)ccc1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	772213630	MGEYKZIBXRPSPY-LLVKDONJSA-N	322.361	1.439	50	20	DDGD	
COC(=O)[C@H](C)n1cccc1C=NNC(=O)c1c[nH]nc1C	774589300	ZQAHCIMHEYFURU-JTQLQIEISA-N	303.322	1.018	50	20	DDGD	
C[C@@H]1CC[C@@H](C(=O)NNC(=O)c2nnc(O)c3ccccc23)C1	776336211	IHESEHXAKQYYMD-NXEZZACHSA-N	314.345	1.533	50	20	DDGD	
CSCCNC(=S)NNC(=O)CO[C@@H]1CCC[C@H](C)C1	770245878	IJSKXICBUINUKJ-WDEREUQCSA-N	319.496	1.440	50	20	DDGD	
COC(=O)N(C)NC(=O)NC1CCN(c2nccs2)CC1	875556007	BJRWMLDBRASCGW-UHFFFAOYSA-N	313.383	1.024	50	20	DDGD	
COc1nc(O)cc(C(=O)OC[C@@H](C)CBr)n1	770516885	HJLVNUPEHDIMSV-LURJTMIESA-N	305.128	1.379	50	20	DDGD	
CN(NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)C(N)=O	778414751	JOKKUHJFCUJDJX-UHFFFAOYSA-N	309.329	1.957	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2ccc(C(F)(F)F)cc2)C1=O	773458286	CGUQTIXPPHBCPZ-JTQLQIEISA-N	301.268	1.627	50	20	DDGD	
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NNc1cnccn1	775280077	CSUPAVZUZNJQIS-UHFFFAOYSA-N	302.294	1.208	50	20	DDGD	
O=C1CCC[C@H]1[C@H]1COCCN1S(=O)(=O)CCCCl	882054927	CQQBMOZFWJZLEI-WDEREUQCSA-N	309.815	1.015	50	20	DDGD	
Cc1ncc(C(=O)NNc2nc(-c3ccncc3)no2)c(C)n1	777378801	RAIPRLSPFRPMMU-UHFFFAOYSA-N	311.305	1.295	50	20	DDGD	
C[C@H](O)c1ncc(C=NNC(=O)CNc2ccccc2)s1	772994995	BIIZEEMOOAZWSI-JTQLQIEISA-N	304.375	1.759	50	20	DDGD	
COCC[C@H](N)Cc1cn(/C(Cl)=C/CBr)nn1	881311024	WPIHVTHFXJCBDS-MARUZZBFSA-N	323.622	1.617	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CCCCCNC(N)=O	780731873	KQUBHKASOMFWGH-UHFFFAOYSA-N	322.365	1.145	50	20	DDGD	
CC1(C)OC[C@H](CNC(=O)NNc2cc(F)c(F)cc2F)O1	783270472	UQOZXIBMPFICRJ-ZETCQYMHSA-N	319.283	1.882	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ncoc1-c1ccccc1	883063563	TUZPHPODDJFSHX-UHFFFAOYSA-N	315.329	1.529	50	20	DDGD	
Cc1ccn(C)c1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	784295271	FECCIUNCWIUPPE-LLVKDONJSA-N	309.366	1.072	50	20	DDGD	
O=C(NNC(=O)C1CC(c2ccc(F)cc2)C1)C1CCOCC1	883070314	LVBOIXPVWPJPOI-UHFFFAOYSA-N	320.364	1.893	50	20	DDGD	
Cn1ccc(C(=O)NNc2nnc(-c3ccccn3)s2)c1	788567175	DQALDCAWPCNKJE-UHFFFAOYSA-N	300.347	1.696	50	20	DDGD	
NC(=O)c1ccccc1C=NNC(=O)Cn1ccc2ccccc21	788713637	DQPQEORJRSJDBP-UHFFFAOYSA-N	320.352	1.891	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1cc(C(=O)O)ccc1C	788420854	MWPCLHOLSXXZJA-UHFFFAOYSA-N	317.345	1.156	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)Cc1csc2nccn12	899995883	AJLLWNAWNMLOQL-UHFFFAOYSA-N	311.436	1.232	50	20	DDGD	
COc1cccc(NNC(=O)NCCCOC[C@H]2CCOC2)n1	780022708	GCBXFFULSCBATD-GFCCVEGCSA-N	324.381	1.160	50	20	DDGD	
CN(C)c1cccc(NC(=O)NNc2ncncc2Cl)n1	782065117	NFBFKBMKEXFISX-UHFFFAOYSA-N	307.745	1.740	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2C[C@@H]3C[C@@]3(CO)C2)cc1	783815253	WYVQUSSZMGDFBI-QVCXZPMNSA-N	312.369	1.833	50	20	DDGD	
Cc1nnc(NNC(=O)C2(Cc3ccccc3F)CC2)nc1O	785404034	QEWMTXAKIDYQDL-UHFFFAOYSA-N	317.324	1.491	50	20	DDGD	
COc1cc(NNC(=O)NCC[S@](C)=O)ccc1Cl	789042098	UQSOSGFJXFOENH-IBGZPJMESA-N	305.787	1.353	50	20	DDGD	
CN(NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(N)=O	780976852	AQZXWLSNEHEZQY-UHFFFAOYSA-N	310.313	1.337	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cccnc1-c1ccc(C)s1	782914912	UHSQDPLSRJCLRI-UHFFFAOYSA-N	320.374	1.918	50	20	DDGD	
CNC(=O)c1n[nH]c(C2CCN(C[C@H]3[C@@H](Cl)[C@@H]3C)CC2)n1	895041645	KUOBMZREMQVCRZ-IEBDPFPHSA-N	311.817	1.217	50	20	DDGD	
CCC1=C(C(=O)NNC(=O)COc2cccc(C)c2)CCCO1	790113436	HAZVIFNDERRZSH-UHFFFAOYSA-N	318.373	1.996	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCOc2ccccc2F)n1	794089411	FOBXKSRTDOJSMV-UHFFFAOYSA-N	317.320	1.759	50	20	DDGD	
COc1ccc(/C=C(/C#N)S(N)(=O)=O)cc1Br	798232343	RQKUINQFFZBLFQ-YWEYNIOJSA-N	317.164	1.611	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F	791216241	MJCWILYOXGMQSN-VIFPVBQESA-N	316.283	1.386	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@](C)(O)C2CCC2)cc1	792803684	VIJUJKGWNKAPQA-KRWDZBQOSA-N	320.389	1.326	50	20	DDGD	
CC(=NNC(=O)Cc1cccnc1)c1ccc(C(=O)N(C)C)cc1	792997808	CYODPRLYXIQOPU-UHFFFAOYSA-N	324.384	1.866	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccc(C)n2)nc1Cl	794084711	IBNXTIHVAUFNGL-UHFFFAOYSA-N	320.736	1.522	50	20	DDGD	
O=C(NNc1c(F)cccc1F)C(=O)Nc1cccc(F)n1	793029478	QPSIUXPYLZQCGJ-UHFFFAOYSA-N	310.235	1.581	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C(=O)Nc2cscc2C)n1	797371209	RFLOUOQJJMPFSQ-UHFFFAOYSA-N	318.358	1.160	50	20	DDGD	
COc1ccccc1OCCNS(=O)(=O)CBr	695215071	ZCXCNRVCRBLPJC-UHFFFAOYSA-N	324.196	1.346	50	20	DDGD	
Cc1nn(CCO)c(C)c1C=NNC(=O)c1ccc(Cl)cc1	1084207801	KUDJIRCGNGVUOF-UHFFFAOYSA-N	320.780	1.910	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2cc(C)ccc2F)n1	1319349095	TZJNDTZTKBXYES-UHFFFAOYSA-N	302.309	1.646	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2CCCC[C@H]2N(C)C)n1	1318505563	YKPGYPYFKHNUHH-QWHCGFSZSA-N	306.414	1.592	50	20	DDGD	
NC(=O)c1csc(C=NNC(=O)c2n[nH]c3c2CCCC3)c1	1319056271	DSMXUDSUPUSTCL-UHFFFAOYSA-N	317.374	1.213	50	20	DDGD	
COC(=O)C(=O)NN=Cc1cc(F)ccc1Br	1324529133	UKLATRAVBBKBQH-UHFFFAOYSA-N	303.087	1.211	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1Cc2ccc(C)cc2S1	1322097040	LGBXGLQWKVIRQI-LBPRGKRZSA-N	307.444	1.693	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccnc(OC2CCC2)c1	1324744814	BITRYPCMGPTVEY-ZDUSSCGKSA-N	319.361	1.343	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)c1cncn1-c1ccccc1	1321582787	GESJXKDIHMWXOZ-INIZCTEOSA-N	316.361	1.448	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1cccc(-c2nnco2)c1	1320338008	FPCFRHYMHMGPEH-UHFFFAOYSA-N	324.300	1.213	50	20	DDGD	
Cc1nn(CCO)c(C)c1C=NNC(=O)c1cccc(C#N)c1	1321551689	TUBRXAOBWZBLFA-UHFFFAOYSA-N	311.345	1.128	50	20	DDGD	
CC[C@@H]1C[C@H]1NC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1329537499	AHOMUCGZJUDVBE-XBWDGYHZSA-N	303.200	1.191	50	20	DDGD	
Cc1noc(-c2ccc(C(=O)NNC(=O)C3CCC3)cc2)n1	1327641572	SWVUHVMRUYKSHX-UHFFFAOYSA-N	300.318	1.606	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)CNC(=O)N2CCCC2)nn1	1335073414	NAZZUDOCXJBTCI-UHFFFAOYSA-N	320.397	1.023	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2cncc(Cl)n2)nn1	1339061013	JYYIQBCUTBMOKC-UHFFFAOYSA-N	306.757	1.974	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](Cn1cccn1)c1ccccc1	1332957720	PJFYUTNZVYSFJR-ZDUSSCGKSA-N	317.349	1.537	50	20	DDGD	
O=C(NNC(=O)N1CCC(c2ccncc2)CC1)c1cn[nH]c1	1331536329	DHGRRRWBHNZSEP-UHFFFAOYSA-N	314.349	1.039	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Nc1ccc(Cl)cc1)[C@H]1CCC(=O)N1	1330003014	ICNQMIJUDKXGFH-LDYMZIIASA-N	324.768	1.407	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NNc1cccnn1	1331708173	GHFBVTKUOXNZFI-JBLDHEPKSA-N	319.365	1.175	50	20	DDGD	
CO/C(=C\c1ccccc1)C(=O)NNC(=O)[C@@H]1CCCCO1	1344402975	CPHSZIQWWYYSEY-UROBUVALSA-N	304.346	1.390	50	20	DDGD	
CC[C@H](C)n1nc(NC(=O)C(=O)NNc2ncccn2)cc1C	1342894483	RGXLWODXZYNQQX-VIFPVBQESA-N	317.353	1.034	50	20	DDGD	
Cc1ccc2c(c1)[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)CCC2	1348122734	LKZCVBMBKKKFIH-AWEZNQCLSA-N	313.361	1.740	50	20	DDGD	
C=CCOC[C@@H](NC(=O)c1cccc(CCl)c1)C(=O)OC	1353680106	UHZNIHMMZUAQMW-CYBMUJFWSA-N	311.765	1.899	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cc(C(=O)O)ccc1Cl	1609706658	CBVKLHBALUDVNB-UHFFFAOYSA-N	311.725	1.013	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@]2(C#N)CCCOC2)cc1C(=O)O	1607809767	CGVPKSXSZGWSLU-OAHLLOKOSA-N	303.318	1.457	50	20	DDGD	
CCNc1nc(C(=O)NNc2ccc(C(=O)O)cn2)cs1	1605502873	OUZMHYJKAGFZJG-UHFFFAOYSA-N	307.335	1.425	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@H]2CC[C@H]2C(=O)O)cc(C#N)n1C	1600009795	RRWWBDVEZXMLPK-QEUAEHOYSA-N	312.329	1.092	50	20	DDGD	
CC(C)CN1CCC[C@H]1C(=O)NNc1ncccc1C(=O)O	1603025714	LKQLOGHOPZTJCL-LBPRGKRZSA-N	306.366	1.343	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(COC)cc(C(=O)O)c1	1605550816	CPDDNTZQAVIARO-UHFFFAOYSA-N	311.294	1.314	50	20	DDGD	
O=C(NNc1ncncc1Cl)Nc1cc(C(=O)O)ccn1	1605820829	GUKLBKDNEULRNP-UHFFFAOYSA-N	308.685	1.372	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)ccc1C(=O)NN(C)c1ccccn1	1605536584	MKYZYRJGZKBPLL-UHFFFAOYSA-N	309.333	1.351	50	20	DDGD	
Cc1ncoc1CNC(=O)NNc1ccc(F)c(C(=O)O)c1	1600758458	OQSUMJVUKZYABU-UHFFFAOYSA-N	308.269	1.647	50	20	DDGD	
COC(=O)c1cccc([C@@H](NNC(=O)C2CCCC2)C(=O)O)c1	1606611111	JNVHCGQNHNCBAC-CYBMUJFWSA-N	320.345	1.410	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)Nc1n[nH]cc1C(=O)O	1602847844	YBJYEVPCRXMKMH-ZCFIWIBFSA-N	304.144	1.856	50	20	DDGD	
CN(NC(=O)CNc1ccc(-c2nn[nH]n2)cc1)c1ccccc1	1604827179	XFXKVHGGJFLURE-UHFFFAOYSA-N	323.360	1.446	50	20	DDGD	
Cc1noc2ncc(C(=O)NNc3ccc(C(=O)O)cn3)cc12	1610577621	UYDNALVRNQSNGC-UHFFFAOYSA-N	313.273	1.381	50	20	DDGD	
CC(=O)N1CC[C@H](CNC(=O)[C@@H](F)Cl)[C@@H]1c1cccnc1	1808310856	KJAXVVSSGZMWOS-FRRDWIJNSA-N	313.760	1.642	50	20	DDGD	
CCCN[C@@H](C)C(=O)NNc1ncc(Br)cc1C	1577555295	YNGZATSHSILJJS-VIFPVBQESA-N	315.215	1.984	50	20	DDGD	
COc1cccc2c1CC[C@@]2(N)C(=O)NNc1ccc(C#N)cc1	1579291661	NYTJAXOAFWDIDD-SFHVURJKSA-N	322.368	1.810	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CC[C@H](N)CC1	1576296037	XNKGZTIQHRJESH-IJLUTSLNSA-N	323.368	1.258	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=O)CCCCCN)c(O)c1	1575850637	AGNUMPAHEZPCPU-UHFFFAOYSA-N	307.394	1.796	50	20	DDGD	
CC(C)(C)OC(=O)CCC(=O)NNc1ccc(C(=O)O)cn1	1589872765	ZKORBHBXTKXCAT-UHFFFAOYSA-N	309.322	1.345	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)OC)C1	1846404762	RVUVJVHIQMGZPL-MNOVXSKESA-N	302.802	1.242	50	20	DDGD	
CC(C)C(=O)N1CCCC12CN(C(=O)[C@H](F)Br)C2	1842615421	KBGDQPZSAYGSLT-VIFPVBQESA-N	321.190	1.536	50	20	DDGD	
CCc1c(C(=O)NNc2cccc(C(=O)O)c2C)cnn1C	1597410589	ALFFUYICKIFMKX-UHFFFAOYSA-N	302.334	1.746	50	20	DDGD	
Cc1[nH]c(C=O)cc1C(=O)NNc1cccc(C(=O)O)c1F	1599960721	WLKCFLUSWYZLBB-UHFFFAOYSA-N	305.265	1.730	50	20	DDGD	
CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NNC(=O)C(=O)O	1591094588	MXIQJUDQDKLXHH-WCQYABFASA-N	319.361	1.361	50	20	DDGD	
CSc1cc(/C(C#N)=C\c2cc(C(=O)O)nn2C)ncn1	1594189551	MVHXFXFZTUBKFU-BAQGIRSFSA-N	301.331	1.694	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H]1CC[C@H](C(=O)O)C1	1593866867	FVSLZTIPWHVHJG-BDAKNGLRSA-N	324.308	1.556	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1590336422	HPNCNZDOSIFQDI-CBAPKCEASA-N	322.756	1.388	50	20	DDGD	
Cc1nnc(NNC(=O)c2cc(Cl)sc2Cl)[nH]c1=O	11548223	HQTBZHJWOIRINZ-UHFFFAOYSA-N	320.161	1.599	50	20	DDGD	
Cc1ccc(F)c(OCC(=O)NNC(=O)c2ccccc2O)c1	162196143	SBZIQPGHLQYTOS-UHFFFAOYSA-N	318.304	1.680	50	20	DDGD	
CCCCN1CCC(NC(=O)NNC(=O)c2ccc[nH]2)CC1	158597923	ZQCXTVLDWFUIIH-UHFFFAOYSA-N	307.398	1.223	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccc(CN(CC)CC)o1)N(C)C	163838739	YKBULYVLOMUEHZ-CYBMUJFWSA-N	324.425	1.223	50	20	DDGD	
CC(C)(O)CN1CCN(C[C@H](CBr)C2CC2)CC1	859117766	SUFJWCLNCAWDAG-ZDUSSCGKSA-N	319.287	1.796	50	20	DDGD	
CN(CC(=O)NNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C	69547327	DWOVZHLCBPNPPQ-UHFFFAOYSA-N	303.359	1.409	50	20	DDGD	
O=C(NCCN1CCc2sccc2C1)NNc1ncccn1	54686492	QVLLYNAORCMCBC-UHFFFAOYSA-N	318.406	1.223	50	20	DDGD	
CC[C@@H](C)NC(=O)CCNC(=O)NNc1cccc([N+](=O)[O-])c1	56916303	ANXOYKQIPVTWRN-SNVBAGLBSA-N	323.353	1.526	50	20	DDGD	
O=C(CCc1ccncc1)NNC(=O)CCc1ccccc1O	106287175	PTYZZQYRWNHYSH-UHFFFAOYSA-N	313.357	1.500	50	20	DDGD	
CCN1CCCC[C@H]1CNC(=O)NNC(=O)c1ccccc1O	111884227	LQYUUZHAPJUOGF-LBPRGKRZSA-N	320.393	1.211	50	20	DDGD	
CCC(=O)N[C@H](CCSC)C(=O)NNC(=O)c1ccccc1	54125890	MHTKFQWOHOGLHX-GFCCVEGCSA-N	323.418	1.096	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCc1cccs1	55083936	ZJGSPJILAMZFAP-UHFFFAOYSA-N	319.386	1.830	50	20	DDGD	
Cc1[nH]c2ccccc2c1C(=O)NNC(=O)Cc1cccnc1	103456856	XYBJZKRANMXFMA-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
CC(C)CCOCCNC(=O)NNC(=O)Cc1ccncc1	177442436	UTHAORJEFHWSIC-UHFFFAOYSA-N	308.382	1.017	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@@H](O)c2ccccc2)c1	119291649	NIZIBWVQSRMGSH-ZDUSSCGKSA-N	302.721	1.783	50	20	DDGD	
Cc1c(C(=O)NNC(=O)Cc2ccncc2)cnn1C(C)(C)C	175787336	FRXKSRXXFCSELY-UHFFFAOYSA-N	315.377	1.345	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cnc(-c2ccccc2)s1	113423740	UEYKSVGYYYWYBF-UHFFFAOYSA-N	304.375	1.133	50	20	DDGD	
Cc1ccc2cccc(C(=O)NNc3ncnc4nc[nH]c34)c2n1	173965533	PIEPUHJWZUVQIO-UHFFFAOYSA-N	319.328	1.966	50	20	DDGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)N[C@H]1CCOC1	179167115	YSDQDAMONXKSAR-ZETCQYMHSA-N	318.160	1.726	50	20	DDGD	
CCCC(=O)N1CCCC[C@@H]1C(=O)NNc1cc(C)ncn1	172274343	IOQNHZRHQTXKQZ-GFCCVEGCSA-N	305.382	1.409	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2cc[nH]n2)nc2ccccc12	186138898	HDRIITHWJJDBIH-UHFFFAOYSA-N	309.329	1.270	50	20	DDGD	
C[C@@H](NS(C)(=O)=O)C(=O)NNc1ccc(C(C)(C)C)cc1	181127642	QGSZPDFEOKGPPF-SNVBAGLBSA-N	313.423	1.365	50	20	DDGD	
COCCC[C@H](C)C(=O)NNc1nc2ccccc2c(=O)n1C	181822576	VIWNQBGAHVXVBB-NSHDSACASA-N	318.377	1.439	50	20	DDGD	
C=CCCOCCNC(=O)NNC(=O)c1c[nH]c2ccccc12	127092120	TVKWVVWDAMRLOJ-UHFFFAOYSA-N	316.361	1.705	50	20	DDGD	
C=C[C@](C)(CCOC)C(=O)NNC(=O)COCc1ccccc1	188942464	XVVCUAGYWQYIQZ-QGZVFWFLSA-N	320.389	1.579	50	20	DDGD	
C[C@@]1(C(=O)NNc2nc(-c3ccncc3)no2)CCCCN1	180999606	PSTAROSKMKXOJE-AWEZNQCLSA-N	302.338	1.107	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](CC)c1ccccc1	77163986	PQYAMAZMOZBTMJ-CQSZACIVSA-N	319.405	1.632	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)Cn1nc(C)cc1C	79541658	IGVFQOMDOPITEH-ZIAGYGMSSA-N	321.425	1.799	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1n[nH]c2ccccc2c1=O	128450619	WOTXYLQHJBNDFZ-UHFFFAOYSA-N	315.720	1.728	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNC(=O)CCCc1ccccc1	188837718	MAPLHFJDULMKKH-UHFFFAOYSA-N	306.362	1.498	50	20	DDGD	
CC(C)(C)[S@](=O)CCNC(=O)NNc1cc(Cl)ccn1	181131670	ADRCUYXIBZWEEZ-HXUWFJFHSA-N	318.830	1.908	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)OC(C)(C)C)c1nccs1	187013380	VJZLZVMYVJHBKD-MRVPVSSYSA-N	300.384	1.986	50	20	DDGD	
O=C(NNc1ccc(Br)cc1)c1ccc(O)nn1	48425614	GFGNTIKTLMRIBZ-UHFFFAOYSA-N	309.123	1.702	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnc3c(c2)c(C)nn3C)o1	84380289	VPZBNMRJODXQBC-UHFFFAOYSA-N	313.317	1.253	50	20	DDGD	
Cc1cc(C)c(NNC(=O)C(=O)Nc2cc(C)n(C)n2)c(C)c1	132211084	ABFDVSKGQGVILU-UHFFFAOYSA-N	315.377	1.736	50	20	DDGD	
O=C(NCCCN1CCc2ccccc21)NNc1ncccn1	193538731	GYOPVTVDMYPNCR-UHFFFAOYSA-N	312.377	1.556	50	20	DDGD	
COc1ncccc1C(=O)NNC(=O)c1ccc(Cl)cc1F	81029770	YDJYJWCGAFUJOA-UHFFFAOYSA-N	323.711	1.958	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)C(C)(C)O)c1ccc(F)cc1F	190052902	OVRRFLZENDLTRP-MRVPVSSYSA-N	300.305	1.377	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cc2sccc2[nH]1	192133172	FCMGKZDKKGYCKT-UHFFFAOYSA-N	322.390	1.295	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccn(C)n2)c(OC)c1	134499000	WEIFZEFFJKQMNV-WQLSENKSSA-N	312.329	1.983	50	20	DDGD	
O=C(NCC1CCCC1)NNC(=O)[C@@H]1COc2ccccc2O1	47014976	LRUPAUCMJNYMJA-AWEZNQCLSA-N	319.361	1.347	50	20	DDGD	
N#C/C(=C\c1cn(CC(=O)O)nn1)C(=O)c1cccc(F)c1	193163633	VEYMHLZIEPFXNB-BJMVGYQFSA-N	300.249	1.292	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=S)N[C@@H](C)C2CC2)c(C)c1	83679293	YYGCSWCPQXRBKY-LBPRGKRZSA-N	321.446	1.976	50	20	DDGD	
CCc1ccccc1NC(=O)C(=O)NNc1nc2ccccn2n1	190622175	BXJGWEXENNLUON-UHFFFAOYSA-N	324.344	1.374	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccc[nH]2)cc(OC)c1C	96953582	NXQZBFLBNJXMNQ-UHFFFAOYSA-N	303.318	1.415	50	20	DDGD	
COc1ncnc(N(C)C)c1NC(=O)NNc1ccccc1F	92929919	CUOQSCBJUUDSFU-UHFFFAOYSA-N	320.328	1.839	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)n1	247631206	STVSSUWHEOYIGH-QSFUFRPTSA-N	303.366	1.464	50	20	DDGD	
COC(=O)Nc1cc(C(=O)NNC(C)=O)cc(C(F)(F)F)c1	268675710	BPOVMAGXQZTXMA-UHFFFAOYSA-N	319.239	1.665	50	20	DDGD	
O=C(NNC(=O)C(O)(c1ccccc1)c1ccccc1)C1CCC1	264930384	NQBYJPPBHFSMIY-UHFFFAOYSA-N	324.380	1.870	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1ccc(S(C)(=O)=O)cc1	269685025	VBKKEUHVRKCNGK-ZRDIBKRKSA-N	308.359	1.150	50	20	DDGD	
COc1ccccc1[C@H](C)CC(=O)NNC(=O)N1CCOCC1	264060255	CPEQZSLNWLVFIF-GFCCVEGCSA-N	321.377	1.262	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCCOCC1CC1)c1ccccc1	264887460	UTQOTCGEXLCYAQ-HNNXBMFYSA-N	319.405	1.937	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cnn(C(C)(C)C)c1	264532749	LXOGCBLKMBOCPO-UHFFFAOYSA-N	316.361	1.722	50	20	DDGD	
CCN1CCCC[C@H]1CNC(=O)NNC(=O)c1cccc(C)n1	279821525	GKQUDHKHHKRFFT-ZDUSSCGKSA-N	319.409	1.208	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCC[C@@](C)(O)c1ccccc1	275041846	MQGUTOCHJUZZQM-MRXNPFEDSA-N	307.394	1.661	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)nn1	369793737	YXBYGCKYSFKVDJ-RAIGVLPGSA-N	305.382	1.615	50	20	DDGD	
COc1cc(C(=O)N2CC=C(C#N)CC2)cc([N+](=O)[O-])c1OC	272662548	HVVBJJNPDWXDFM-UHFFFAOYSA-N	317.301	1.908	50	20	DDGD	
COC(C)(C)CC(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	278757786	JZGWYLMTQJNEAJ-UHFFFAOYSA-N	322.390	1.714	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CC(C)(C)C#N	278182021	FHBPLYWEWWHLPX-JTQLQIEISA-N	307.325	1.680	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCc1cc(OC)cc(OC)c1	271247201	CSDVPMZMRXVSTH-UHFFFAOYSA-N	309.366	1.329	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCC=C(F)C1	272464845	KTBOFYPGEQCACU-UHFFFAOYSA-N	305.353	1.244	50	20	DDGD	
CCOC1CC(CCNC(=O)NNc2nc(C)cc(OC)n2)C1	276993978	WEGRLJKHSHPGAK-UHFFFAOYSA-N	323.397	1.625	50	20	DDGD	
CC(C)[C@@]1(C)C[C@H]1C(=O)NNc1nc(O)c2cnn(C)c2n1	274982503	MIJPQHKXADNCJS-LKFCYVNXSA-N	304.354	1.194	50	20	DDGD	
COc1cc(C)cc(C)c1S(=O)(=O)NNC(=O)C1CCC1	277532199	OZRFPYMJDIIQQT-UHFFFAOYSA-N	312.391	1.422	50	20	DDGD	
Cc1cc(C(F)(F)F)nn1CC(=O)NNC(=O)C(C)(C)C	289656313	YPBTWEWJFCFYKL-UHFFFAOYSA-N	306.288	1.404	50	20	DDGD	
COc1ccc(NNC(=O)COCc2nnc(C)s2)cc1	288788021	DSTSGRUAKNIDRK-UHFFFAOYSA-N	308.363	1.515	50	20	DDGD	
O=S(=O)(CBr)NCCc1ccc2[nH]ccc2c1	282429138	FXZNMFZUTUMHDC-UHFFFAOYSA-N	317.208	1.982	50	20	DDGD	
COC(=O)NCC(=O)NNC(=O)Nc1ccc(C)cc1Cl	283824529	ZYYPKWPYVNPPIE-UHFFFAOYSA-N	314.729	1.157	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCCC1(O)CCOCC1	286104827	LKENTWBWZJZCGI-KAMYIIQDSA-N	318.348	1.780	50	20	DDGD	
Cc1noc(CCC(=O)NNC(=O)Nc2ccccc2C)n1	281148200	HFGFXLGSMSFCTH-UHFFFAOYSA-N	303.322	1.472	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)c2cccc3ncccc23)CC1	282064839	BEZKMPZDTUKGSM-UHFFFAOYSA-N	313.357	1.813	50	20	DDGD	
COC(=O)N(C)NC(=O)Cc1cccc(OC(F)(F)F)c1	286388433	ONVWPRUAWFNKFO-UHFFFAOYSA-N	306.240	1.857	50	20	DDGD	
CCNC(=O)c1ccc(CNC(=O)NNC(=O)CC(C)C)cc1	298666376	PKHHPSLXZMVRCL-UHFFFAOYSA-N	320.393	1.313	50	20	DDGD	
O=C(NNc1cccnn1)C(=O)Nc1cccc(F)c1Cl	807014469	WRCRGVLEMBOQAL-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(-n3cccn3)cc2)O1	294201189	LAWOIBVURBCBAD-FZMZJTMJSA-N	314.345	1.201	50	20	DDGD	
CNc1c(C(=O)NNc2ncccc2F)cccc1[N+](=O)[O-]	804215800	GIEBTWHPBOCTLE-UHFFFAOYSA-N	305.269	1.928	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)N=c2cc[nH]cc2)CCc2ccccc2C1	802026494	FCDHKEQXHLQASU-GOSISDBHSA-N	324.384	1.851	50	20	DDGD	
Cc1ccc(C(C)(C)C(=O)NNC(=O)N=c2cc[nH]cc2)cc1	802034018	XEXCWIIFUVAOCR-UHFFFAOYSA-N	312.373	1.942	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc2c(c1)CCCC2=O	295144961	DNYYZLKSZVXOGQ-JTQLQIEISA-N	324.402	1.561	50	20	DDGD	
O=C(NNc1nnc[nH]1)c1ccc(N2CCCCCC2)nc1	293941182	OGMQNWNMXOHCET-UHFFFAOYSA-N	301.354	1.337	50	20	DDGD	
O=C(NC[C@H]1[C@H]2c3ccccc3C[C@H]21)NNc1ncncc1F	292935738	FPNXYQGESOPAGW-SCRDCRAPSA-N	313.336	1.828	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1F)c1cccc(O)n1	801628984	QGBLDBDWHXQOOI-UHFFFAOYSA-N	309.684	1.655	50	20	DDGD	
CCCN(C)C(=O)[C@@H]1CSCN1C(=O)/C(C#N)=C/OCC	294506446	JWXIKVLYCJQZPW-OBIHZWKSSA-N	311.407	1.200	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1coc(C2CCOCC2)n1	801607280	DPQPAJFDNACIDY-UHFFFAOYSA-N	321.255	1.282	50	20	DDGD	
Cc1ncc(C(=O)NNc2ccc([N+](=O)[O-])cc2C)c(N)n1	807778032	QZTFBUCTCOSGOC-UHFFFAOYSA-N	302.294	1.341	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)cc1	802052506	BEWAXQCJYIZNRA-JHJVBQTASA-N	305.334	1.273	50	20	DDGD	
Cc1nn(C)cc1[C@H](C)NC(=O)NNc1ncc(F)cc1F	297307099	QQQLURDYBZFTIM-ZETCQYMHSA-N	310.308	1.789	50	20	DDGD	
C[Si](C)(C)c1ccc(CC(=O)NNc2cnccn2)cc1	291402258	WMKRRQWIFPHQAG-UHFFFAOYSA-N	300.438	1.708	50	20	DDGD	
CN(C)c1ncc(CNC(=O)NNc2cccc(Cl)n2)n1C	293134506	VVXOITCCEFWAAN-UHFFFAOYSA-N	323.788	1.361	50	20	DDGD	
CCc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCCCO2)cc1	296784589	SGLOMSUJFASURX-CYBMUJFWSA-N	312.391	1.128	50	20	DDGD	
COc1cccc2c(C(=O)NNC(=O)c3ccncc3)n[nH]c12	809538457	MJQUUIXOVPEORY-UHFFFAOYSA-N	311.301	1.041	50	20	DDGD	
NC(=O)NNc1nc(-c2cn(-c3ccc(F)cc3)nn2)cs1	800721902	YCOPZSVGLIRYDX-UHFFFAOYSA-N	319.325	1.525	50	20	DDGD	
N#Cc1ccc(C[C@H](C#N)C(=O)NNc2ncncc2F)cc1	817080265	XXJIRGJINMSMLB-GFCCVEGCSA-N	310.292	1.313	50	20	DDGD	
Cn1nncc1NNC(=O)COc1cc(Cl)cc(Cl)c1	816770605	FFHVABFOITUKAT-UHFFFAOYSA-N	316.148	1.644	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)c2sc(N)nc2C)[C@]12CCCO2	819803097	HWPLMDYBKCBFGJ-QMTHXVAHSA-N	324.406	1.478	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=O)c2ccccc2O)C1	816830921	ZBWDMMIWEUFRAS-JOYOIKCWSA-N	314.345	1.242	50	20	DDGD	
O=C(NN=C1CCCC12CCCC2)N[C@@H]1CCS(=O)(=O)C1	814816394	UETZAVSSMCKIDQ-LLVKDONJSA-N	313.423	1.573	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)/C(F)=C/C1CCCCC1	814542593	KUBCALWXNPYQLU-JMZICWNOSA-N	314.357	1.909	50	20	DDGD	
CCNC(=O)NNC(=S)Nc1ccc2c(c1)OCCCO2	727278996	JYDCIZQEGDNWID-UHFFFAOYSA-N	310.379	1.368	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1	823983352	RFCAPBDFLQOLDM-VIFPVBQESA-N	308.769	1.688	50	20	DDGD	
CCn1ccc(C(=O)NNC(=S)NCCc2cccs2)n1	820165564	WHOCOSJRFSPWSC-UHFFFAOYSA-N	323.447	1.316	50	20	DDGD	
C[C@@H]1CCC[C@@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1	494540200	RRYCIOQOEMYXOM-GHMZBOCLSA-N	313.398	1.485	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNc1cccc(-c2nn[nH]n2)c1	826155170	IXPWRWZFSISTHB-SNVBAGLBSA-N	304.354	1.373	50	20	DDGD	
CN1C(=O)CC[C@@H](NCc2ccc(OCCCCl)cc2)C1=O	822520769	OSKJWPDHCXLUAL-CQSZACIVSA-N	324.808	1.931	50	20	DDGD	
CCOC1CC(O)(CNC(=O)[C@]2(C)C[C@H]2Br)C1	823308639	ANLBXYDVRHSACA-WTRIOQAGSA-N	306.200	1.206	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(O)cc1	491103759	LUMISRVNCSNLFF-NZETUCKYSA-N	313.357	1.330	50	20	DDGD	
O=C(NN=Cc1ccc(-c2nn[nH]n2)s1)c1ccc(O)cc1	823273806	YSTJZLACMNZIQJ-UHFFFAOYSA-N	314.330	1.398	50	20	DDGD	
COCCN(CC(=O)NNC(=O)C(C)C)[C@@H](C)c1ccccc1	827558315	ZOZXFMHKIRASAU-AWEZNQCLSA-N	321.421	1.499	50	20	DDGD	
C/C=C/C=C\C(=O)NNc1ccccc1S(=O)(=O)N(C)C	492897283	RQXRFGVEIZRIDN-QTJNYWJXSA-N	309.391	1.512	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C[C@@H]1C(=O)Nc2c(F)cccc21	820758035	PJYOGYIVQYKSOG-JTQLQIEISA-N	305.309	1.199	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccccn1)CNC(=O)OC(C)(C)C	493949572	RJXUJEKDJMQXQA-NSHDSACASA-N	323.397	1.869	50	20	DDGD	
Cc1ccccc1OCCN(C)CC(=O)NNC(=O)C(C)C	827276234	FMYSFWFQQDHGKF-UHFFFAOYSA-N	307.394	1.109	50	20	DDGD	
COCCOc1c(Cl)cccc1NC(=O)NNC(=O)OC	490832938	HBWKEKDXSGBKFD-UHFFFAOYSA-N	317.729	1.758	50	20	DDGD	
Cc1ncsc1/C=C\C(=O)NNC(=O)NCc1ccco1	492661981	JEKLQPXYQGPIJA-PLNGDYQASA-N	306.347	1.588	50	20	DDGD	
C[C@@]1(C(=O)N[C@H](CO)Cc2ccccc2)C[C@@H]1Br	907613648	QWCKATMETMJPRH-SGMGOOAPSA-N	312.207	1.880	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNc1cc(Cl)nc(C)n1)C(C)C	823695198	HYUOOBNFAZHZRS-NSHDSACASA-N	314.773	1.717	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NNc1ncccn1	496322216	IUQOYMPELDVSKF-WDEREUQCSA-N	321.381	1.613	50	20	DDGD	
CC1(C)CC(=NNC(=O)C(=O)N2CCCC2)c2ccoc2C1	731487190	NOSRKEHHIZUSMG-UHFFFAOYSA-N	303.362	1.695	50	20	DDGD	
Cc1c(C(=O)NN(C)[C@H](C)CO)cnn1-c1ccc(F)cc1	823976202	ARZJYWJPUFOJNJ-SNVBAGLBSA-N	306.341	1.277	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)n1	496308567	PDBGUMGGIXIEDQ-UHFFFAOYSA-N	306.297	1.663	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC(C1CCC1)C1CCC1	826783699	GDDWCLSWYVIXRU-GWCFXTLKSA-N	309.410	1.711	50	20	DDGD	
Cc1cc(CCNCc2ccc(B(O)O)cc2F)ccc1F	585032203	CVKTXSGRTIQUFP-UHFFFAOYSA-N	305.133	1.285	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@@H]1C[C@]12CCCc1ccccc12	584911155	IGYIOWNAQFOPJS-HKUYNNGSSA-N	321.185	1.599	50	20	DDGD	
COC[C@](C)(NC(=O)[C@@H](Br)C(C)(C)C)C(=O)O	909363006	PUVVOWGPINMBCM-HQJQHLMTSA-N	310.188	1.402	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)/C=C(/C)Cl	907426577	KDFNRAUQRRSBBR-FPLPWBNLSA-N	318.782	1.684	50	20	DDGD	
Cc1cc(-c2nc(-c3ccc(B(O)O)cc3)no2)nn1C(C)C	585055246	UIKMXYMHYJUNOK-UHFFFAOYSA-N	312.138	1.169	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCCCOC2CCCC2)cn1	491012415	RFSZXBPEHHAZGV-NTEUORMPSA-N	302.378	1.793	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCCNC(=O)OCc1ccccc1	823971230	RDIGBRPQXHGONV-ZDUSSCGKSA-N	323.393	1.037	50	20	DDGD	
CCC[C@@H](C)CC(=O)NNC(=O)CCNC(=O)OC(C)(C)C	495312524	OABFUACZVBVNSP-LLVKDONJSA-N	315.414	1.875	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1c(Cl)cccc1Cl	731283967	KLFAKGRZZCYSPJ-UHFFFAOYSA-N	320.176	1.860	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)c1ccccc1	837405176	NYYPZBPDWUUICU-IACUBPJLSA-N	314.385	1.727	50	20	DDGD	
C[C@@H](C(=O)NNc1nccc(N2CCOCC2)n1)C1CCC1	839704402	SFKKVHRCSMPVAN-LLVKDONJSA-N	305.382	1.193	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)NCC(C)(C)C1CCC1	838668247	LDZTUFBUFGDFFR-NSHDSACASA-N	315.414	1.195	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCC[C@H]1c1cccs1	584923680	BKANCWMXHXDFGW-ZDUSSCGKSA-N	301.176	1.405	50	20	DDGD	
C[C@@H]1Oc2cc(F)ccc2[C@@H]1NCc1ccc(B(O)O)cc1	585041167	VQLIUZWKDBANRT-MGPLVRAMSA-N	301.126	1.117	50	20	DDGD	
C[C@@H]1CC[C@]2(CCN(C(=O)c3ccc(B(O)O)c(F)c3)C2)C1	584974567	WEKICIYJPITKQW-BZNIZROVSA-N	305.158	1.158	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1cc(C(=O)O)co1	901154423	BTJOETFXZZRTMD-NSHDSACASA-N	307.350	1.550	50	20	DDGD	
COCC[C@H](NCc1ccc(B(O)O)cc1F)c1ccc(C)o1	585033588	HUOPKAQUBALLPW-HNNXBMFYSA-N	321.157	1.274	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(OC)cc1Cl	731003451	MZNKFASFNCVYJX-UHFFFAOYSA-N	315.757	1.329	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)c1ccc(B(O)O)cc1)C(F)(F)F	584981213	ADWWJLUGXHITFL-KWQFWETISA-N	303.089	1.073	50	20	DDGD	
C[C@H](NCc1cccc(B(O)O)c1)c1nc(C(C)(C)C)cs1	585022522	POEFDFBGCHRURO-NSHDSACASA-N	318.251	1.971	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@@H]1CCc2c[nH]nc2C1	838513095	DOSVRUOIUFTSAZ-SECBINFHSA-N	308.292	1.267	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)Nc1ccc2c(c1)OCO2)OC	836463509	BPJKKNTVLOWHFL-SNVBAGLBSA-N	324.337	1.176	50	20	DDGD	
CCO[C@@H]1CCCC(=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)C1	905486791	RUHHVUMCCFSULH-KFWWJZLASA-N	309.410	1.301	50	20	DDGD	
OB(O)c1cccc(-c2noc([C@H]3CCC[C@H]3C(F)F)n2)c1	585051849	FNZZTXBATBZJCM-MNOVXSKESA-N	308.093	1.565	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NC[C@H]1CCc2ccccc21	732468754	HBRYDEQMWOKACY-SNVBAGLBSA-N	315.295	1.999	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCCn1nc(C(F)(F)F)cc1C	905008104	AGFPSVVCABDEDI-NTMALXAHSA-N	316.283	1.771	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)N[C@H]1CCc2ccc(F)cc21	836286025	FCOQFIRAIDQHTI-UONOGXRCSA-N	321.352	1.713	50	20	DDGD	
O=S(=O)(CCl)NC[C@]1(O)CCC[C@H](C(F)(F)F)C1	831196306	UVUOSBUPJWRXLA-YUMQZZPRSA-N	309.737	1.586	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)c1ccc(Cl)o1	730780538	YACDFZLQRLWYGF-UHFFFAOYSA-N	310.693	1.479	50	20	DDGD	
CN1C[C@H](C(=O)NCC(Cl)Cl)c2ccccc2C1=O	837646328	PXCFJYCKZRTJRA-JTQLQIEISA-N	301.173	1.776	50	20	DDGD	
CC[C@@H]1OCCC[C@@H]1c1nc(-c2ccc(B(O)O)cc2)no1	585055060	PQFYKAWGBGMLDO-STQMWFEESA-N	302.139	1.089	50	20	DDGD	
C[C@H]1CC(=NNC(=O)[C@H](C)CN2CCCCC2)c2nccn21	834934563	OIKCRHMQGIKKGP-OLZOCXBDSA-N	303.410	1.790	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc2c(c1)COC2	831598647	BLFSPZVEQHASCI-ZANVPECISA-N	305.334	1.295	50	20	DDGD	
Cc1nn(C)cc1C(=O)NNC(=O)c1cc2c(s1)CCC2	733250888	IKVLFHQTUCKGGL-UHFFFAOYSA-N	304.375	1.354	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc2ccccc2c1O	833262595	WITPFQXSLIJRBW-AWEZNQCLSA-N	314.341	1.876	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	837313218	YAMDGBMDYWSNJS-UHTWSYAYSA-N	320.776	1.645	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)N[C@@H]1C[C@@H]2CCCCN2C1=O	836692128	OXUIDHITGPHLGT-VHSXEESVSA-N	323.784	1.515	50	20	DDGD	
CN(Cc1cccc(C(N)=O)c1)C(=O)NNC(=O)C(C)(C)C	731499368	QXOWEENJBWWNIP-UHFFFAOYSA-N	306.366	1.004	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNc1ccc(C(=O)OC)c(F)c1	837054421	YSHWJKGABLWTFP-UWVGGRQHSA-N	312.341	1.974	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N=c2cc[nH]cc2)nn1C(C)C	831937097	LPHXDVPYNGTXJF-UHFFFAOYSA-N	302.338	1.056	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1sc(Br)nc1C	831854225	RUXZPRDIKKQPLW-UHFFFAOYSA-N	321.200	1.520	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cccc(OC[C@@H]2CCCO2)c1	910174582	GCXADTYXUXKGTQ-WFASDCNBSA-N	308.378	1.202	50	20	DDGD	
C[S@](=O)Cc1cccc(C(=O)NNC(=O)C2CCCC2)c1	914849370	YXVFYMUAILYCAQ-NRFANRHFSA-N	308.403	1.516	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc(N(C)CCO)cc1	916356176	XVXLZRQXWOSFCE-UHFFFAOYSA-N	320.437	1.297	50	20	DDGD	
COC(=O)Cc1c(C(=O)O)sc(NC=C(C#N)C#N)c1C#N	831188978	MTTCHUFHIHRPEX-UHFFFAOYSA-N	316.298	1.376	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NC[C@H]2CC[C@@H](C)O2)cc1	838742541	SIVGPGDBTREXAL-ZWNOBZJWSA-N	322.365	1.598	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=Cc1cccc(O)c1O	915930296	YLSQJEJDTLFJAV-UHFFFAOYSA-N	310.313	1.818	50	20	DDGD	
CO[C@H](C1CC1)[C@@H](C)NC(=O)NNC(=O)c1ccc(C#N)cc1	836266231	VAYJIOZNNAPAHA-YGRLFVJLSA-N	316.361	1.316	50	20	DDGD	
O=C(NN=Cc1ccccc1OCC(=O)N1CCCC1)C1CC1	916290839	WRTPMVZBWLEIBW-UHFFFAOYSA-N	315.373	1.548	50	20	DDGD	
O=C(O)CSCC(=O)NNc1ccc(Br)cc1	740485318	LEWKJSHLGKFCTE-UHFFFAOYSA-N	319.180	1.710	50	20	DDGD	
C[C@H]1CC[C@H](CCC(=O)NNC(=O)c2ccc3c(c2)OCO3)O1	743284503	LDPJFLQKLLOPLO-CMPLNLGQSA-N	320.345	1.524	50	20	DDGD	
O=C(O)Nc1cccc(C(=O)NNC(=O)c2ccncc2)c1	740034570	WYEYVGFLJUXAFX-UHFFFAOYSA-N	300.274	1.246	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)cc1)NNc1ccc(Cl)nc1	743819288	JDSBIBFKLSRGNV-UHFFFAOYSA-N	322.727	1.747	50	20	DDGD	
C#CCCOc1ccc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	842552800	CLWCLRRAZCLYCB-CZUORRHYSA-N	300.358	1.964	50	20	DDGD	
CC(C)N(C)c1ccc(C=NNC(=O)[C@@H]2CCO[C@H]2C)cn1	842558663	HBTLISSPWRTOSR-GXTWGEPZSA-N	304.394	1.801	50	20	DDGD	
CN(C)c1nccc(NNC(=O)CN(C)c2ccccc2)n1	740103385	PMAHPMPAKPLFQR-UHFFFAOYSA-N	300.366	1.122	50	20	DDGD	
Cc1nccc(C(=O)NNC(=O)c2cc3c(s2)CCC3)n1	917393605	MHNODKOCKCUYLH-UHFFFAOYSA-N	302.359	1.410	50	20	DDGD	
Cc1cc2ncc(C(=O)NNC(=O)C3CCCC3)c(C)n2n1	914844130	LGAXLMJWBYCRNL-UHFFFAOYSA-N	301.350	1.297	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](C)c2cnccn2)c1C	912452306	UAGPGPCGVRMCTG-LLVKDONJSA-N	314.345	1.818	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2cc(C)on2)n1	841605255	YECKXDWRXXSHLP-UHFFFAOYSA-N	305.363	1.632	50	20	DDGD	
CC[C@@H](C)C(=O)NN=C(C)c1cccc(S(=O)(=O)NC)c1	915977324	QRSLWHAAMKVFGH-SNVBAGLBSA-N	311.407	1.481	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)c1ccnc(-n2cncn2)c1	743817213	UEXGMJCVURPJQU-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
CCOc1nc2sccn2c1C=NNC(=O)[C@H]1CCO[C@H]1C	842557798	WHRSWXYOVDMSPB-UWVGGRQHSA-N	322.390	1.670	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCC[C@@H]1CC1(Cl)Cl	845666064	BDWQNJSUJCNYDI-MRVPVSSYSA-N	312.197	1.327	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)/C(=C\c1ccccc1)C(F)(F)F	910150264	QWBQWMIODBLFTC-MJWAUXSNSA-N	302.296	1.976	50	20	DDGD	
COc1cc(C)nc(NNC(=O)COc2ccccc2C)n1	746634474	HBIJHEHFPVRLTH-UHFFFAOYSA-N	302.334	1.624	50	20	DDGD	
Cc1cc(C(=O)NN(C)C[C@@H](C)O)c(Br)s1	910167637	WMPGQMWUXLCSEK-ZCFIWIBFSA-N	307.213	1.776	50	20	DDGD	
CC(C)(C)n1cc(C#N)cc1NC(=O)NNC(=O)CCCN	841208135	PFLHBPKYFLTVBN-UHFFFAOYSA-N	306.370	1.006	50	20	DDGD	
CC(C)CNC(=S)NNC(=O)c1ccc2ccccc2n1	916114255	SKCDSWNUPSXVME-UHFFFAOYSA-N	302.403	2.000	50	20	DDGD	
Cc1ncc2n1C[C@@H](C(=O)NNc1ncncc1Cl)CC2	845993280	KLBAHEMTWQFUSR-VIFPVBQESA-N	306.757	1.341	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@@H]1c1ccc(O)cc1	744391168	PNYVGEVOPHVXFN-CQSZACIVSA-N	319.405	1.723	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(OC2CCC2)cc1	843652320	JBABFVORCDSMST-ABAIWWIYSA-N	318.373	1.804	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNC(=O)c1ccccc1F)C(=O)O	848587347	FQHJPNVYAHJXRR-JTQLQIEISA-N	311.313	1.127	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@H](O)c1ccsc1	740026442	XOYBHAGWZSCLBD-ZDUSSCGKSA-N	319.386	1.734	50	20	DDGD	
Cc1nn(CC(=O)NNC(=O)CC(F)(F)F)c(C)c1Cl	918366626	CGARANAOMRIQDO-UHFFFAOYSA-N	312.679	1.253	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1(c2ccccc2F)CC1	843654119	ZGQPEDNFGFMZRP-GHMZBOCLSA-N	306.337	1.430	50	20	DDGD	
C[C@@H](N)CNC(=O)NNc1c(F)cc(F)cc1Br	841987891	OLSLCTLZNREENW-RXMQYKEDSA-N	323.141	1.701	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CCN[C@H](C)C2)c1	841988329	SECGRMMZPCNPMZ-PWSUYJOCSA-N	306.366	1.240	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1cc(F)c(F)c(F)c1	748253864	TYOWIOFRSFZSJT-VIFPVBQESA-N	318.295	1.996	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc(OC2CCC2)cc1	742583357	JZTKFNASMRMXAI-UHFFFAOYSA-N	303.362	1.972	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cnn(Cc2ccccc2)c1	842555110	JPXGZUBNJHMUSX-BBRMVZONSA-N	312.373	1.807	50	20	DDGD	
COc1cccc2cc(C=NNC(=O)C(=O)NC3CC3)oc12	744824385	ZHPMVDJJMZREAN-UHFFFAOYSA-N	301.302	1.170	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cccc2c1OCCC2	844650016	GIINXGPOBIFEGF-SNVBAGLBSA-N	312.391	1.367	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1ccc(N(C)C)cc1	843646154	VAFPSQJCEJPHCU-DOMZBBRYSA-N	319.405	1.258	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=C1CC(C)(C)Cc2nc(N)sc21	842560498	MGANGRAQTXYILA-BDAKNGLRSA-N	322.434	1.943	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@H](CCCN)c1ccccc1	841998551	VSLNJQROSDIKNI-CYBMUJFWSA-N	306.410	1.843	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@@H](C)NC(=O)NNC(=O)Cc1ccncc1	840422488	BXOXBUCXBYGHKF-BDJLRTHQSA-N	320.393	1.158	50	20	DDGD	
CC[C@H]1CCC[C@@H]1CNC(=O)NNC(=O)c1cccc(F)n1	852365747	DJRZDJUANXBHAY-WDEREUQCSA-N	308.357	1.991	50	20	DDGD	
C[C@H]1CC(=NNC(=O)COc2ccccc2C#N)CN1C1CC1	753955505	OXEXYNGHWKOXSL-LBPRGKRZSA-N	312.373	1.666	50	20	DDGD	
COC(=O)CCC(C)=NNC(=O)c1ccc2c(c1)OCCO2	756882355	VUMFPIWRIRRGDG-UHFFFAOYSA-N	306.318	1.517	50	20	DDGD	
Cn1nc(C2CC2)nc1C(=O)NC[C@]1(C)C[C@@H]1Br	857249813	LWHBSPGKCNTQIW-UFBFGSQYSA-N	313.199	1.596	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2[nH]c(C)nc2C)c1C	857314178	SIMBTYWSXIGVDS-UHFFFAOYSA-N	302.334	1.878	50	20	DDGD	
CCN(CC)C[C@H](C)NC(=O)NNC(=O)c1ccccc1C	921121783	PTXUISXDTTYNTQ-ZDUSSCGKSA-N	306.410	1.669	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)CO[C@@H]1CCC[C@@H](C)C1)C1CC1	855101451	WCKDUTVTVAKQFZ-NTZNESFSSA-N	313.467	1.876	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H]1C[C@]12C(=O)Nc1ccccc12	929790783	MUMWWSNPXQFYDG-MEDUHNTESA-N	301.346	1.090	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=S)N[C@H](C)C2CC2)cc(O)n1	855099090	RCEJCOIXJXKYTD-SECBINFHSA-N	322.434	1.818	50	20	DDGD	
C[C@@H]1OC(=O)N[C@H]1C(=O)OC[C@@H](CBr)C1CC1	859666484	NSSIOKUDRRXSQV-NBEYISGCSA-N	306.156	1.448	50	20	DDGD	
COc1cccc2c1CCC2=NNC(=O)C(=O)Nc1ccccn1	759665688	HRLPLVWIYDVEFY-UHFFFAOYSA-N	324.340	1.495	50	20	DDGD	
CC1(CO)CCN(C(=O)NC[C@]2(C)C[C@@H]2Br)CC1	856951824	FCFFIDZBMLTFTG-GWCFXTLKSA-N	319.243	1.964	50	20	DDGD	
CC(C)CC1(CNC(=O)NNC(=O)c2cn[nH]c2)CCCC1	858290113	QBCBWENTORNIHC-UHFFFAOYSA-N	307.398	1.960	50	20	DDGD	
C[C@H]1CC[C@@H](CCC(=O)NNC(=O)c2cccc(Cl)n2)O1	857325699	HQSJHRONEICSPU-UWVGGRQHSA-N	311.769	1.844	50	20	DDGD	
Cc1onc(CC(=O)NC[C@@]2(C)C[C@H]2Br)c1C#N	857735156	XTKIRCSNBHLSHK-ZYHUDNBSSA-N	312.167	1.687	50	20	DDGD	
COC(=O)c1coc(C=NNC(=O)Cc2ccccc2F)c1	758112241	TXDSKPKPFKYFNZ-UHFFFAOYSA-N	304.277	1.898	50	20	DDGD	
CC[C@@H](C)[C@H](C)NCC(=O)NNC(=O)c1ccc(C#N)cc1	754167303	IYQBTHMLKOOODC-NEPJUHHUSA-N	302.378	1.343	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)N[C@@H]1CCc2c[nH]nc2C1	852202554	HFNVOINJHHAWGC-SNVBAGLBSA-N	306.757	1.642	50	20	DDGD	
COCCN(C)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CC1(C)C	854410525	ZOSWODOGUSMSOG-OAHLLOKOSA-N	300.399	1.354	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)CC(F)(F)F)cc1	755339415	RSIDZDVASGBFRG-UHFFFAOYSA-N	304.272	1.858	50	20	DDGD	
O=C(NNc1ccccc1)c1cn([C@H]2CCCNCC2)nn1	852892374	JPFJWTMNNVEYHP-ZDUSSCGKSA-N	300.366	1.350	50	20	DDGD	
CC(=NNC(=O)COc1cc(C)ccc1C)c1nccn1C	755505201	NZRLRCDUPIPCKP-UHFFFAOYSA-N	300.362	1.956	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)NNc1cccnn1	750289508	SIIIJEQBDPJPMP-UHFFFAOYSA-N	312.289	1.194	50	20	DDGD	
CC1(C)CN(C(=O)NC[C@@]2(C)C[C@@H]2Br)CCN1	857105645	OWEGPURCDCNSSR-JOYOIKCWSA-N	304.232	1.553	50	20	DDGD	
CC[C@H](C)NC(=O)[C@H](C)NC(=O)NNc1ccc(Cl)cn1	852036550	WAFPJYBGYIZNTK-IUCAKERBSA-N	313.789	1.664	50	20	DDGD	
Cc1ccc(CO[C@@H](C)C(=O)NNC(=O)NCC2CC2)cc1	858782267	RKFKZPXGTZHLBX-LBPRGKRZSA-N	305.378	1.641	50	20	DDGD	
C[C@@H](CSCc1ccccc1)C(=O)NNC(=O)c1cc[nH]n1	855357606	MTQXBCUJNYDIJA-NSHDSACASA-N	318.402	1.740	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cccc2[nH]ncc12	854386416	MVBDPSUNKFHARS-UHFFFAOYSA-N	320.349	1.113	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C(C)(C)C1CCC1	854286525	RWHUBPOIGIRCOQ-UHFFFAOYSA-N	301.456	1.687	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)COc2ccccc2F)nc1	759730561	KLOQOAYYZFNPSN-UHFFFAOYSA-N	319.292	1.529	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)n1	862524491	MFUDLJANWAFOID-SECBINFHSA-N	316.283	1.244	50	20	DDGD	
C[C@H](Cc1cnc[nH]1)C(=O)NNCC(F)(F)C(F)(F)F	863101653	BGQQSPHMIJMBCP-ZCFIWIBFSA-N	300.231	1.407	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)c2c[nH]c3ccccc23)CCC1=O	763272910	USXVBWFQVUVIBE-WDEREUQCSA-N	313.357	1.934	50	20	DDGD	
Cn1c(=O)oc2c(C(=O)NNc3nc4ccccc4[nH]3)cccc21	768500696	RPWZYIDJBCZRJI-UHFFFAOYSA-N	323.312	1.765	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2ccc(OC(F)(F)F)cc2)C1	761584971	NUAZMEBXHVAZPY-SECBINFHSA-N	303.284	1.980	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2cc(-c3cccs3)[nH]n2)CN1C	764785933	MISLVHNUSINIRR-SECBINFHSA-N	303.391	1.948	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2ccsc2C(F)(F)F)N1	863151769	SYDDJIZBBGBGRR-ZETCQYMHSA-N	305.281	1.496	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2ccc(C(F)(F)F)s2)N1	863152816	GPZHSUNAIZJWLV-SSDOTTSWSA-N	305.281	1.496	50	20	DDGD	
Cc1cc(=NNC(=O)CCCNC(=O)c2ccsc2)cc[nH]1	862509882	XCJBOPVGTMUABL-UHFFFAOYSA-N	318.402	1.527	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNc2cnccn2)cc1F	766256351	HQZLDYHHARAPLA-UHFFFAOYSA-N	319.296	1.096	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H](C)Cc2cnc[nH]2)cc1	863854226	XFVYWNBMALCEKO-GFCCVEGCSA-N	315.377	1.156	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cncc(Cl)n2)nc1	760855975	WIRWTSHFEOCLQJ-UHFFFAOYSA-N	307.697	1.069	50	20	DDGD	
CC(C)N(C)c1ccc(NCc2ccc(B(O)O)cc2)cc1F	864020439	ZSRCFEVSOLYMIQ-UHFFFAOYSA-N	316.185	1.962	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccc[nH]2)cc2c1O[C@H](C)C2	761819672	ROQJMHHGNYGLBM-SECBINFHSA-N	315.329	1.422	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=C2CCN3CCC[C@@H]23)C[C@@H](C)O1	765569370	KACVLLNSXSXOBX-AYDFFVQHSA-N	322.453	1.072	50	20	DDGD	
CC1(C)C(=NNC(=O)[C@H]2CCC(=O)N2)C[C@H]1Oc1ccccc1	863153407	TZGQWIFDHWXKEF-TZMCWYRMSA-N	315.373	1.615	50	20	DDGD	
CC[C@@H](C)c1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1	862456645	QIPZSJXMYDKRPL-MFKMUULPSA-N	303.362	1.240	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccnn1CC1CCC1)C1CC1	869219638	ZSNCALCSKCSRQD-JTQLQIEISA-N	321.450	1.591	50	20	DDGD	
CN(C)c1cccc(NC(=O)NNC(=O)c2ccccc2O)n1	764728153	NLHWXWIEEQFULS-UHFFFAOYSA-N	315.333	1.320	50	20	DDGD	
C[C@@H](CC(=O)NN[C@@H](C)C(F)(F)F)NC(=O)OC(C)(C)C	862310653	CNOGXUKGRJIXFS-YUMQZZPRSA-N	313.320	1.861	50	20	DDGD	
Cc1cc(=NNC(=O)CC[C@H]2Cc3ccccc3NC2=O)cc[nH]1	862509563	PSHBEZXYKGVLDT-AWEZNQCLSA-N	324.384	1.846	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1n[nH]c2cc(C(=O)O)ccc12	765499568	KEYUFWCDLLPJRM-YFHOEESVSA-N	315.285	1.358	50	20	DDGD	
CC(=O)NNC(=O)Nc1cnc(Cl)c(Br)c1C	765273955	PAANGQDKFADGQP-UHFFFAOYSA-N	321.562	1.979	50	20	DDGD	
COCCn1cc(C(=O)NC[C@@]2(C)C[C@@H]2Br)cn1	869355963	BWPGZPZFQXWUSM-CMPLNLGQSA-N	316.199	1.433	50	20	DDGD	
CC(=NNC(=O)CNc1ccccc1)c1cc(C(N)=O)n(C)c1	767058434	VTUMQVCCEBUQTD-UHFFFAOYSA-N	313.361	1.076	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)CCc1c[nH]c2ccccc12	872363424	DWYHFRRNRTXNII-UHFFFAOYSA-N	316.361	1.949	50	20	DDGD	
C[C@H]1CC[C@H](C)N1CC(=O)NNC(=S)Nc1ccccn1	874956547	HJMGBDBYUXZHQT-QWRGUYRKSA-N	307.423	1.272	50	20	DDGD	
CC[C@@H]1[C@@H](C)CCN1CC(=O)NNC(=O)c1cccc(C)c1	775782686	KVLCJGXTUXYTBT-DZGCQCFKSA-N	303.406	1.876	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNc1ccc(C(C)(C)C)nn1	1117866685	UOWSKDXUTQSZGP-MNOVXSKESA-N	307.398	1.968	50	20	DDGD	
CSc1ccccc1NC(=O)C(=O)NNc1ncccn1	773721752	TVKYTUJXFGPEEV-UHFFFAOYSA-N	303.347	1.280	50	20	DDGD	
CN1C(=O)COc2cc(NC(=O)NCC(Cl)Cl)ccc21	879471252	XWHLPLDZSLILON-UHFFFAOYSA-N	318.160	1.967	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@@H](C)c1ccc(F)cc1	772109125	ICYOVGONQZDUQH-MNOVXSKESA-N	324.352	1.808	50	20	DDGD	
N#Cc1c(F)cccc1C(=O)NNc1nc(-c2cccnc2)no1	778776392	QYKCNOWIEXQUDB-UHFFFAOYSA-N	324.275	1.899	50	20	DDGD	
N#CSCCCNC(=O)CNC(=O)c1cc(F)cc(F)c1	774297300	KWKIKYMGEBYJLJ-UHFFFAOYSA-N	313.329	1.415	50	20	DDGD	
COC(=O)C1(N(C2CC2)S(=O)(=O)CCCCl)CCC1	882267219	AVIGCELITXDECF-UHFFFAOYSA-N	309.815	1.505	50	20	DDGD	
CC(C)[C@@H](Cc1ccccc1)NCC(=O)NNC(=O)C1CC1	886422267	JSSHIWOKMWJEOT-OAHLLOKOSA-N	303.406	1.401	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)C2CCOCC2)CCCS1	883510874	ZBLXGSHMDJOKMA-ZDUSSCGKSA-N	301.412	1.029	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2ccc(C)c(O)c2)CCCC1	882050812	ILLFJLHLIONZIP-UHFFFAOYSA-N	306.362	1.668	50	20	DDGD	
COc1ccc(NNC(=O)c2c(O)cccc2O)c([N+](=O)[O-])c1	770405740	KTBGFXOXLDNJCL-UHFFFAOYSA-N	319.273	1.772	50	20	DDGD	
NC(=O)C1(C(=O)NNc2ccc(C(F)(F)F)cn2)CCC1	775249015	BPWAIAPKEYZSDQ-UHFFFAOYSA-N	302.256	1.199	50	20	DDGD	
O=C(NC[C@@H]1CCCC(F)(F)C1)NNC(=O)c1cccnn1	883626966	NLRYSJJXPNSVJV-SECBINFHSA-N	313.308	1.246	50	20	DDGD	
Cc1ccccc1C[C@H](C)C(=O)NNC(=O)C1CCOCC1	883072459	MWTVZQQCKIGOST-ZDUSSCGKSA-N	304.390	1.748	50	20	DDGD	
COc1cccc([C@@H](C)C(=O)NNC(=O)C2CCOCC2)c1	883062364	ZYSJBRSYCDZYFR-LLVKDONJSA-N	306.362	1.373	50	20	DDGD	
CN(C)CC(=O)NN=Cc1cc(Br)cc(F)c1O	884426394	LDEKDAHGXBCFMH-UHFFFAOYSA-N	318.146	1.306	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)NCCC#N)c1C	787359972	MGAIXAJWVYKCJW-LBPRGKRZSA-N	304.350	1.315	50	20	DDGD	
CCN(CCC(=O)NC)C(=O)[C@H](Br)C(C)(C)C	888267938	AATACTRKJCSWOC-JTQLQIEISA-N	307.232	1.781	50	20	DDGD	
CC1(N2CCCC2)CCC(=NNC(=O)N2CCOCC2)CC1	884424407	WKCQFPATGHXWTQ-UHFFFAOYSA-N	308.426	1.813	50	20	DDGD	
O=C(NCC1CCC(F)(F)CC1)NNC(=O)C1CCOCC1	883628671	UBZWRJIEOTXFMK-UHFFFAOYSA-N	319.352	1.569	50	20	DDGD	
C[C@H]1C[C@@H](CCNC(=O)NNc2ncncc2Cl)CCO1	781015809	ILUBRRAEWXZOLT-UWVGGRQHSA-N	313.789	1.961	50	20	DDGD	
Cc1cc(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)no1	788256463	VZLWYVAJSZGZGD-UHFFFAOYSA-N	303.322	1.833	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1nnc(Cc2ccccc2)s1	782539580	DLWOFGHSHHKEGV-UHFFFAOYSA-N	319.390	1.938	50	20	DDGD	
N#CCCCNC(=O)NNC(=O)c1cccc(OC(F)F)c1	784279791	CTWHXWFTYMYXMD-UHFFFAOYSA-N	312.276	1.536	50	20	DDGD	
Nc1ncc(C=NNC(=O)Cc2cccc3ccccc23)cn1	781586324	JNGOZBDSHOOWBE-UHFFFAOYSA-N	305.341	1.905	50	20	DDGD	
Cc1cccc(C)c1NC(=O)C(=O)NNC(=S)NC(C)(C)C	899996923	YPDROMFAOGESEY-UHFFFAOYSA-N	322.434	1.536	50	20	DDGD	
COC(=O)c1cc(Cl)cc(NC(=O)NNC(=O)C(C)C)c1	782572560	ONNRZKBUGMKWPQ-UHFFFAOYSA-N	313.741	1.935	50	20	DDGD	
CN1CCC[C@@H]1C(=O)NNC(=O)c1cc2ccccc2cc1O	895524858	RRZBGHAEJJUSPE-CQSZACIVSA-N	313.357	1.401	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Cc1ccn(CC(F)(F)F)n1	892712983	RRJUMOJJSLXYGO-UHFFFAOYSA-N	306.288	1.181	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@@H]1Cc2ccccc2S1	791240267	ZUEWLEXNUMNCIM-LBPRGKRZSA-N	311.370	1.889	50	20	DDGD	
COC(=O)[C@H](NNC(=O)c1cccc(C)n1)c1ccccc1C	795469239	RZNBAWBWVJRPDC-OAHLLOKOSA-N	313.357	1.847	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=C1CCCc2nn(C)cc21	794467674	FHTHKKYGGXOABP-UHFFFAOYSA-N	322.372	1.847	50	20	DDGD	
CC(C)(O)CC(=O)NNC(=O)Cc1ccc2ccccc2c1	792634436	BECKMZVRSUQPBD-UHFFFAOYSA-N	300.358	1.691	50	20	DDGD	
CC(=O)NNC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1	797701483	RAOQKTWVVZAHSH-UHFFFAOYSA-N	313.144	1.960	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=S)NC(C)C	797133324	QOJHUXVZVTVGAI-UHFFFAOYSA-N	301.799	1.866	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)CCc2ccccc2)n(C)n1	790864699	DAQGCWUMZNKALP-UHFFFAOYSA-N	315.377	1.192	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)NOCC(F)F	793173910	WCALVUXSUOUCDS-UHFFFAOYSA-N	323.299	1.909	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1cccc(-n2nnnc2C)c1	792227875	CWXMRHHXEBEIOB-UHFFFAOYSA-N	324.348	1.823	50	20	DDGD	
CSSCCNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1	791150505	NICVBHFSZKKANK-SSDOTTSWSA-N	316.370	1.525	50	20	DDGD	
CSSCCNC(=O)c1ccc(C)c(S(N)(=O)=O)c1	791096571	FEMHTYDPZPCRTP-UHFFFAOYSA-N	320.461	1.383	50	20	DDGD	
C[C@@H]1CSCC1=NNC(=O)C1CCN(c2ncccn2)CC1	794905186	RVNPHTCNXBUZIF-LLVKDONJSA-N	319.434	1.548	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cncnc1-c1ccccc1	798306165	WVPSKIWWFJEGNF-UHFFFAOYSA-N	313.386	1.439	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1ccc(-c2nn[nH]n2)cn1	1160051931	NMPQTARJEGTVRA-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
CC(=O)c1ccc(NC(=O)C(=O)NNc2ccc(C)nn2)cc1	1320887783	FUKCNKNOKLYCKE-UHFFFAOYSA-N	313.317	1.069	50	20	DDGD	
COc1ccc(C=NNC(=O)CC(C)C)cc1OCC(N)=O	1248410479	JATSJKMPVKFRKR-UHFFFAOYSA-N	307.350	1.056	50	20	DDGD	
CC[C@@H](C#N)C(=O)NNC(=O)c1ccc(Br)cc1	1326729434	VIFARUKTZMSYCV-QMMMGPOBSA-N	310.151	1.760	50	20	DDGD	
CC(C)CC(=O)NCCC(=O)NNc1ccc(C(C)(C)C)nn1	1322144164	HWEHXYMYNYZLOH-UHFFFAOYSA-N	321.425	1.770	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccncc1)c1ccc(F)c(F)c1	1320478031	BMZDJBDPIQMTMO-VIFPVBQESA-N	305.284	1.925	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@H]1CCc2ccccc21	1328132740	XBXPKNGLIFXQQI-YUTCNCBUSA-N	317.389	1.472	50	20	DDGD	
O=C(NCCCN1C(=O)CCC1=O)c1cccc(CCl)c1	1335764269	AMDGKMVGBAOBJE-UHFFFAOYSA-N	308.765	1.694	50	20	DDGD	
CC(C)COC(=O)N1CCC(=NNC(=O)c2cccnn2)CC1	1333198626	XTVJPCLKBDBHTD-UHFFFAOYSA-N	319.365	1.451	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)NC1(C(F)(F)F)CC1	1333844530	YPBOYDQGVZRBDH-UHFFFAOYSA-N	305.231	1.865	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cnc(C(F)(F)F)nc1	1336817711	SUBXQZJLIYMIMD-LURJTMIESA-N	305.260	1.694	50	20	DDGD	
CN(CCC1CC1)C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1331101565	MVQVSBQASUSMDV-GXFFZTMASA-N	317.227	1.535	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)NCC2=CCCC2)C[C@H]1Br	1331084658	JZQFYFCWFFYVJL-MFKMUULPSA-N	315.211	1.503	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)C2CCOCC2)[nH]c1C	1333199107	GDMNGKAQKXLVHD-UHFFFAOYSA-N	307.350	1.377	50	20	DDGD	
O=C(NC[C@@H](O)CN1CCCCC1)C1CCC(Cl)CC1	1521671707	UYXDFOIFDHCWEP-JXQTWKCFSA-N	302.846	1.747	50	20	DDGD	
O=C(NN=C1CCCc2cc(-c3nn[nH]n3)cnc21)c1ccoc1	1609557321	KBRUGAMSROJKOZ-UHFFFAOYSA-N	323.316	1.325	50	20	DDGD	
COc1cccnc1CC(=O)NNc1ccc(C)c(C(=O)O)c1	1607348521	MABAOLRBADBMKH-UHFFFAOYSA-N	315.329	1.783	50	20	DDGD	
CO[C@@](C)(C=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C1CC1	1609307898	VRKSJWISOVSARV-HNNXBMFYSA-N	314.349	1.397	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1cc(C(=O)O)cs1	1608482816	MYVYVFDDYSMBDY-UHFFFAOYSA-N	305.315	1.528	50	20	DDGD	
Cc1cc(C(=O)O)ccc1NC(=O)NNC(=O)[C@H]1CCCS1	1610441838	NUSSGTGGCALCPL-LLVKDONJSA-N	323.374	1.742	50	20	DDGD	
O=C(NN=Cc1ccc(F)cc1F)[C@H]1CN2CCC[C@@H]2CO1	1549312694	CEVIORDVUAGWGE-TZMCWYRMSA-N	309.316	1.278	50	20	DDGD	
O=C(COc1ccc(F)cc1)NN=Cc1cc(C(=O)O)co1	1610671494	KYTFYEDABUSZQG-UHFFFAOYSA-N	306.249	1.646	50	20	DDGD	
O=C(NN=CCc1cccc(Cl)c1)[C@H]1CN2CCC[C@H]2CO1	1549320055	KGUUEOUYPCWWMK-LSDHHAIUSA-N	321.808	1.848	50	20	DDGD	
CC[C@@H](NC)C(=O)NNc1cc(OC)ccc1Br	1577171912	AOXWGSJBYDLFTF-SNVBAGLBSA-N	316.199	1.899	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cnc[nH]2)C1	1842422246	CHBBNMHUSGIVIF-LLVKDONJSA-N	324.812	1.634	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@H]1CC[C@@H](C(=O)O)C1	1598542161	YLPUYCRPHPZRIK-QWHCGFSZSA-N	320.345	1.787	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@H]1CC12CCOCC2	1599375746	DKQYYAMJXSRMSI-LLVKDONJSA-N	320.345	1.653	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)N[C@H]1CCC[C@@H](F)C1	1593165990	PXKZKLCRROENIC-MNOVXSKESA-N	319.344	1.774	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc2c(C(=O)O)c[nH]c2c1	1599232166	MKUMCTIXQBMBCM-UHFFFAOYSA-N	306.322	1.481	50	20	DDGD	
O=C(O)c1cnc2c(c1)C(=NNC(=O)c1nccs1)CCC2	1776109678	VBRFTJCHRCYNHX-UHFFFAOYSA-N	316.342	1.707	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2snc(C)c2C(=O)O)cs1	1776029014	GJBPMVPOOVCUEF-UHFFFAOYSA-N	324.387	1.607	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=Cc2ccc(O)c(O)c2O)c1	1776094673	FUBUGKZOZMEMFQ-UHFFFAOYSA-N	316.269	1.266	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CCCCSC	150847971	CSOBWIMKHASHCR-UHFFFAOYSA-N	310.419	1.918	50	20	DDGD	
O=C(NNS(=O)(=O)N1CCCCC1)c1c[nH]c2ccccc12	151913962	JNBHLUAJTLXNNU-UHFFFAOYSA-N	322.390	1.133	50	20	DDGD	
C/C(=C/c1ccccc1Cl)C(=O)NNC(=O)c1cnn(C)c1	152372962	VCGUSOPGXXUAII-YFHOEESVSA-N	318.764	1.938	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1cccc(C(F)(F)F)n1	156000458	UEDJVNLZRBHACT-UHFFFAOYSA-N	320.271	1.680	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)c2ccc(Cl)cc2F)nn1	154289635	ZIMPBVVUTYTLEM-UHFFFAOYSA-N	309.688	1.125	50	20	DDGD	
Cc1cccc([C@H](O)CNS(=O)(=O)CCCCCl)c1	154755441	DXGPLNNLIJCRQV-CYBMUJFWSA-N	305.827	1.967	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@@H]1CCc2ncncc2C1	843539118	CFZGGKFTEZIXRL-CQSZACIVSA-N	324.384	1.362	50	20	DDGD	
CN(C1Cc2ccccc2C1)S(=O)(=O)CBr	272835490	RUNVDVWNTLFCRQ-UHFFFAOYSA-N	304.209	1.768	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C1CN(C(=O)OC(C)(C)C)C1	495033570	WXASBDRXRYRSCY-UHFFFAOYSA-N	315.370	1.409	50	20	DDGD	
Cc1ncc(S(=O)(=O)NN(C)C(=O)OC(C)(C)C)s1	495888211	GGHPWNHLIYMFTK-UHFFFAOYSA-N	307.397	1.512	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)c1cccnc1	541864	UGKOCPWAIJCDBE-UHFFFAOYSA-N	302.359	1.722	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)c1ccccc1Cl	3612436	GSRQZJDRHKCLGR-UHFFFAOYSA-N	320.732	1.886	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNc1nc(-c2ccccc2)no1	102790922	QZKMXEMNEBQXKY-UHFFFAOYSA-N	317.349	1.342	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CCC[C@@H]2C)cc1	105312114	GSFZAMMMOKRYFP-GXTWGEPZSA-N	305.378	1.893	50	20	DDGD	
CN(C1CC1)S(=O)(=O)c1ccc(NC=C(C#N)C#N)cc1	103425461	SVQXGXKZMGIYNO-UHFFFAOYSA-N	302.359	1.812	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1)C1CC1	175297149	NLSWAAFVEIZPPK-JTQLQIEISA-N	323.418	1.617	50	20	DDGD	
CC(C)OCCC(=O)NNC(=O)c1cccc2ncccc12	106813247	VOTOCOGBUAOSEW-UHFFFAOYSA-N	301.346	1.811	50	20	DDGD	
CCOCCCCNC(=O)NNC(=O)Cc1ccc(F)cc1	56424512	CCPBCTDEDMWLKC-UHFFFAOYSA-N	311.357	1.515	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccnc(Cl)c2)c1	103402685	RPHREQUXXKJFIE-UHFFFAOYSA-N	300.705	1.681	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)OC(C)(C)C)cc1C(F)(F)F	1346073698	VHLTWPIXVBCIMK-UHFFFAOYSA-N	308.260	1.608	50	20	DDGD	
O=C(Cc1coc(-c2ccccc2)n1)NNC(=O)NC1CC1	64428282	WIGPYUAGEDYNNY-UHFFFAOYSA-N	300.318	1.377	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@]12CCc1ccccc12)c1cccnc1	174975876	VGUJKXHKNYHCKG-YJBOKZPZSA-N	307.353	1.747	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)cn1	27262785	LJLTYSGLQZUKRU-UHFFFAOYSA-N	311.301	1.150	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cn[nH]c2C)c(C)c1	172321690	HVGZSNXAODJFJK-UHFFFAOYSA-N	301.350	1.208	50	20	DDGD	
O=C(CC1CCCC1)NCC(=O)NNc1ccc(Cl)nn1	118504067	RREZSWYQTNLBIM-UHFFFAOYSA-N	311.773	1.270	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCc2cccc(Cl)c2)cn1	117680061	FNJFPORNAGZTFZ-UHFFFAOYSA-N	306.753	1.467	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(-c3ccc(C)o3)n[nH]2)o1	175834709	CBBLXOPBBWBYFR-UHFFFAOYSA-N	314.301	1.954	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2sc(C)nc2C)cc1	119562898	YPDUBCBKCFUGAN-UHFFFAOYSA-N	319.386	1.908	50	20	DDGD	
CCCc1c(C(=O)NNc2cnccn2)[nH]c(C)c1C(=O)OC	114878261	VWFDFBXHMKMQSC-UHFFFAOYSA-N	317.349	1.609	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2cnn(CC(F)F)c2)n1	179874309	HADBWWZJJKTZFZ-UHFFFAOYSA-N	311.296	1.704	50	20	DDGD	
CCCCNC(=O)NNC(=O)C[C@H]1OC(=O)c2ccccc21	68266389	CLSCKMGKJJQUJG-GFCCVEGCSA-N	305.334	1.419	50	20	DDGD	
CC(C)N(C)CCNC(=O)NNC(=O)c1cc2ccccc2o1	176082766	KNIJKWQUUGAZTI-UHFFFAOYSA-N	318.377	1.717	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)c1ccc2ccccc2n1	129631173	MVORGDLGMHCJLA-LLVKDONJSA-N	301.346	1.811	50	20	DDGD	
CN(CCc1ccccn1)CC(=O)NNC(=O)c1ccccc1	123431920	CONJANFDYBPRKB-UHFFFAOYSA-N	312.373	1.017	50	20	DDGD	
Cc1cc2c(cc1C)O[C@@H](C(=O)NNc1ncc(F)cn1)C2	123025712	VGTBJUQTBDGZCC-CYBMUJFWSA-N	302.309	1.679	50	20	DDGD	
Cc1cccc2nc(C(=O)NNC(=O)NCc3ccco3)cn12	65176892	IOJNDDLLPHRCCQ-UHFFFAOYSA-N	313.317	1.380	50	20	DDGD	
C[C@]1(CNC(=O)NNc2nc3ccccn3n2)CCCS1	189552311	YCPZULRBZQJPOU-CYBMUJFWSA-N	306.395	1.641	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H](C(=O)NNc2c(F)cccc2Cl)O1	189844815	FIDMQRMTPVQMRY-VHSXEESVSA-N	316.716	1.643	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNC(=O)NCC(F)(F)F)[nH]n1	124611810	HYVMAIZIYLKSNW-UHFFFAOYSA-N	307.276	1.214	50	20	DDGD	
Cc1ccc(F)c(NC(=O)C(=O)NNc2ccc(C)nn2)c1	123833293	NKJVQUMFNUQQRG-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
CCc1c(C(=O)NNc2ncc(F)cn2)[nH]c(C)c1C(C)=O	122853058	UCDUDEFMTZAWDC-UHFFFAOYSA-N	305.313	1.774	50	20	DDGD	
CN(NC(=O)Cc1ccc(F)c(Br)c1)C(N)=O	181061303	XWHVFBHTRPCZHX-UHFFFAOYSA-N	304.119	1.172	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)Nc2c(C)cccc2F)n1	185573136	IXLXIIPNUBFREW-UHFFFAOYSA-N	317.324	1.623	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cn1	74686500	NNJGJWLUCLCTCZ-JTQLQIEISA-N	320.324	1.271	50	20	DDGD	
O=C(Cc1cccc([N+](=O)[O-])c1)NNC(=O)NCC(F)(F)F	75566968	FZUGHDZOCZDARS-UHFFFAOYSA-N	320.227	1.030	50	20	DDGD	
O=C(NCc1cccc(OCC(F)F)c1)NNc1cccnn1	77660587	MBIKQHDBJZVLNV-UHFFFAOYSA-N	323.303	1.947	50	20	DDGD	
CCC(CC)n1ncc(C(=O)NNC(=O)c2cc(C)n[nH]2)c1C	127046865	MSAUBTFVOPKDKS-UHFFFAOYSA-N	318.381	1.659	50	20	DDGD	
CC[C@H](C)[C@H](C)C(=O)NNC(=O)Cc1cn2ccccc2n1	180344957	BQFFFIQEDARGPU-RYUDHWBXSA-N	302.378	1.706	50	20	DDGD	
CSCC[C@H](C)NC(=O)NNC(=O)Cc1ccc(F)cc1	77802496	FOOMWVCQJJEWKI-JTQLQIEISA-N	313.398	1.840	50	20	DDGD	
O=C(NNc1ccncc1)[C@@H]1CCCN(C(=O)N2CCCC2)C1	180504354	LAPZMAKLQGGSOV-CYBMUJFWSA-N	317.393	1.453	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCC(C)(C)OC)c1ccccc1	75311067	LYYPVGSIHJALJN-ZDUSSCGKSA-N	307.394	1.936	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cc(Cl)c2ccccc2c1O	80023560	BSGSGOCXFJDKDG-UHFFFAOYSA-N	321.764	1.521	50	20	DDGD	
O=C(NCC1CC1)C(=O)NNc1ccc(C(F)(F)F)cc1	191932349	MZUOCNWBMDJZNA-UHFFFAOYSA-N	301.268	1.675	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCOCC(F)F)c1ccccc1	191564359	VJMXKFMANWRVBD-LBPRGKRZSA-N	314.332	1.999	50	20	DDGD	
Cc1ccnc(NNC(=O)CCS(=O)(=O)C2CCCC2)c1	88424828	LWYAVTOQXZBZMW-UHFFFAOYSA-N	311.407	1.581	50	20	DDGD	
CC[C@@H](NNC(=O)CNc1c(C)cc(C)cc1C)C(=O)OC	192829492	HOOZJRHRPIIVLY-CYBMUJFWSA-N	307.394	1.596	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc(N(C)C(C)C)nc1	190224223	UXBIQFYPSBEOLK-ZROIWOOFSA-N	302.378	1.596	50	20	DDGD	
NC(=O)C(=O)NN=C1CCCOc2c1ccc(Cl)c2Cl	254827318	QIMSUHXODMUQIJ-UHFFFAOYSA-N	316.144	1.472	50	20	DDGD	
O=C(NCCCO[C@@H]1CCOC1)NNc1cccc([N+](=O)[O-])c1	268110416	GMAPDZGLAUGTMM-CYBMUJFWSA-N	324.337	1.417	50	20	DDGD	
NC(=O)N1CCC[C@H]1C(=O)NNc1ccc(OC(F)F)cc1	269583943	CHDOULZQZSMAFO-JTQLQIEISA-N	314.292	1.274	50	20	DDGD	
CCOC(=O)N1CCC[C@H](C(=O)NNC(=O)c2ccc(C)o2)C1	267671993	CMQXGQNEERIKFO-NSHDSACASA-N	323.349	1.218	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)c2ccccc2)nc(O)n1	268908600	VCHRARVDZLPQLL-UHFFFAOYSA-N	314.345	1.229	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCC[C@@H]1CSC	269044834	YBCMUFQODILGHV-LLVKDONJSA-N	323.418	1.877	50	20	DDGD	
Cc1cccnc1C(F)(F)C(=O)NNC(=O)NC1CCCC1	278809132	XEMNNPDNUUGULD-UHFFFAOYSA-N	312.320	1.755	50	20	DDGD	
COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NNC(=O)C2CCC2)c1	276564628	UDVUMTPVMQAODD-JSGCOSHPSA-N	318.373	1.755	50	20	DDGD	
O=C(C[C@@H]1C=CCCC1)NNC(=O)Cn1cnc2ccccc21	275037735	LTVTYUXPPKBNHE-CYBMUJFWSA-N	312.373	1.930	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CC[C@](C(=O)OCC)(C(C)C)C1	278516635	KQGWPGFRYRANRC-QSOAKEGCSA-N	308.378	1.868	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc2c(c1)CCC2	276605110	RWMMZWAWEIZIDU-UHFFFAOYSA-N	320.389	1.726	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccn(-c2ccc(F)cc2C)n1	273033747	FCJOQTQPSXJPIE-UHFFFAOYSA-N	319.340	1.626	50	20	DDGD	
COc1ccc(NNC(=O)CCNC(=O)OC(C)(C)C)nc1	275582739	OKPHFFQNYWETQE-UHFFFAOYSA-N	310.354	1.448	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@]12CCOC2)c1ccc(Cl)cc1F	372523117	PKJRAKVEXGNHIB-IINYFYTJSA-N	312.728	1.667	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@H]1CC=CC[C@H]1C	283805251	AIBGCBZCSNEZOA-CHWSQXEVSA-N	318.373	1.824	50	20	DDGD	
CSSCCNC(=O)c1sccc1-n1cnnn1	284255788	XHWVWQDWODWJQY-UHFFFAOYSA-N	301.422	1.465	50	20	DDGD	
O=C(COc1ccccc1O)NNc1nccnc1C1CCC1	287198591	MTRARYMPGVFCPJ-UHFFFAOYSA-N	314.345	1.972	50	20	DDGD	
O=C1COc2c(cc(Cl)cc2NC(=O)NNC(=O)C2CC2)N1	287486295	CZZRJNKQWHANPI-UHFFFAOYSA-N	324.724	1.234	50	20	DDGD	
CSSCCNC(=O)NNC(=O)c1cccc(C)n1	284148342	IXKSKSUHKJCNFF-UHFFFAOYSA-N	300.409	1.345	50	20	DDGD	
CC(=O)N1CCC[C@H](CNC(=O)NNc2cccc(F)n2)C1	288412572	BECXMLTWLOOVKR-LLVKDONJSA-N	309.345	1.105	50	20	DDGD	
COc1ccnc(NNC(=O)c2cnc(C)nc2C2CC2)n1	281101581	BKLAWMWRSWEIJO-UHFFFAOYSA-N	300.322	1.218	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)C1(S(C)(=O)=O)CCC1	281072059	DJVPMKLONVUFFM-UHFFFAOYSA-N	300.355	1.545	50	20	DDGD	
CC1(C)CC[C@H]1NC(=O)NNC(=O)[C@H]1COc2ccccc2O1	287520210	WXYSHLFDJVXJEC-CHWSQXEVSA-N	319.361	1.345	50	20	DDGD	
COC(=O)COCC(=O)NNc1ccccc1OC(F)(F)F	288728778	ZXEIQVCIUSEJBA-UHFFFAOYSA-N	322.239	1.218	50	20	DDGD	
CCn1cc(CNC(=O)NNC(=O)c2ccccc2C)cn1	286510573	KWJCQVAAWFLELK-UHFFFAOYSA-N	301.350	1.356	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@@]2(C#N)CC23CCCC3)n1	294189189	AVDQAFBVMNCFOA-INIZCTEOSA-N	315.377	1.121	50	20	DDGD	
CN1CCC[C@@H]1CNC(=O)NNC(=O)c1c[nH]c2ccccc12	299232114	FBIQTORQCBHERK-LLVKDONJSA-N	315.377	1.206	50	20	DDGD	
CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NNc1ccncn1	295781959	DKZMYHWAQNKNJP-NSHDSACASA-N	321.381	1.709	50	20	DDGD	
Cc1nc([C@@H](C)NC(=O)c2c(C)nn(CCCl)c2C)n[nH]1	804815216	IZJUOPSVOJUKJE-MRVPVSSYSA-N	310.789	1.656	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)C(C)(C)c1ccccc1)C1CC1	296643198	MRIJNVUWLGUTCH-CQSZACIVSA-N	319.405	1.720	50	20	DDGD	
CC[S@](=O)CC(=O)NNc1nc2ccc(OC)cc2cc1C	295144132	ZZPDZCSXHRUXRQ-QFIPXVFZSA-N	321.402	1.764	50	20	DDGD	
Cn1cnc(NC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)n1	297090929	OSUYSNLUGXRODR-UHFFFAOYSA-N	318.381	1.184	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1ccc(F)c(F)c1	804956159	BQIVXYQLLKVAJD-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
CN1C(=O)CC[C@H]1C(=O)NNC(=O)Nc1ccc(Cl)cc1	802020962	HDMFOSAOOXTBKP-JTQLQIEISA-N	310.741	1.114	50	20	DDGD	
CSc1cc(C(=O)NNC(=O)N=c2cc[nH]cc2)ccn1	802036079	OVQYHUHWTPBZGP-UHFFFAOYSA-N	303.347	1.087	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2ccnc3c2nnn3C)c1	801177575	YEZGHGYLQPHRMZ-UHFFFAOYSA-N	300.297	1.568	50	20	DDGD	
N#Cc1cc(F)ccc1NC(=O)NNC(=O)[C@@H]1CCCCO1	296659206	QAWTZBFEIFFZLW-LBPRGKRZSA-N	306.297	1.419	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCc1cnc2n1CCCC2	807263693	RSRULLLKERZFFL-UHFFFAOYSA-N	319.287	1.002	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H]1OC[C@@H]2COCC[C@@H]21	290460612	JELGFPZUPFWMEU-TVYUQYBPSA-N	307.306	1.089	50	20	DDGD	
CCN(CC(=O)NNC(=O)Nc1ccc(N(C)C)cc1)C1CC1	802124213	GTATZFPDZUNLCS-UHFFFAOYSA-N	319.409	1.390	50	20	DDGD	
Cn1cc([N+](=O)[O-])cc1C(=O)NNC(=O)Nc1ccccc1	299836884	IGPLLQWUMGLVMQ-UHFFFAOYSA-N	303.278	1.400	50	20	DDGD	
COCc1cc(C(=O)NNC(=O)Nc2ccc(OC)cc2)no1	802053804	GOGZUCXBTGLCDM-UHFFFAOYSA-N	320.305	1.296	50	20	DDGD	
Cc1cc(CNC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)on1	299511952	ZJDQAMBRMHPINF-WLRTZDKTSA-N	309.329	1.725	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCCN2CCOCC2)cc1	297340590	IPPGFPFIJZDJPR-UHFFFAOYSA-N	322.409	1.434	50	20	DDGD	
CC(=O)CCc1ccc(OCC(=O)NNC(=O)NC(C)C)cc1	299312429	UPNQRKGPGFPCLF-UHFFFAOYSA-N	321.377	1.326	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2ccc([N+](=O)[O-])cc2C)n1	293928280	HEGDVFYGHBXDQJ-UHFFFAOYSA-N	304.310	1.580	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNc1nc2ccccn2n1	807389752	LPEUYUKZBQKREJ-UHFFFAOYSA-N	305.338	1.152	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)c1ccc2ccccc2n1	812450417	HSIVRLQGDANRLF-RYUDHWBXSA-N	315.373	1.914	50	20	DDGD	
O=C(NNC(=O)c1nc2ccccc2cc1Cl)NC1CC1	810585117	LMRRANNQQKPCRF-UHFFFAOYSA-N	304.737	1.995	50	20	DDGD	
Cc1nccc(CCC(=O)NNc2nc(-c3ccccc3)no2)n1	815547647	XWSDBQFOBHDVTQ-UHFFFAOYSA-N	324.344	1.911	50	20	DDGD	
Cc1cc(O[C@H](C)C(=O)NNc2cnnn2C)ccc1Cl	816772131	OHZJVZATIZFBIV-SECBINFHSA-N	309.757	1.688	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cccnc1Cl	814763256	WXLCBZVBNKATLQ-NSHDSACASA-N	310.785	1.153	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=C2C[C@H]3CC[C@H]2C3)c1	814803273	CCMVHSKEVVDGKO-QWRGUYRKSA-N	306.387	1.996	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)Oc1ccccc1F)c1cnnn1C	814748501	NIFSNEBRIUZEID-SNVBAGLBSA-N	305.313	1.262	50	20	DDGD	
N#CCn1c(C(=O)NNc2ncncc2F)cc2ccccc21	817071122	QBBUECNNYIEGIC-UHFFFAOYSA-N	310.292	1.851	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccn(-c2ccccc2Cl)n1	816771210	CGPBXTGMTNKMFU-UHFFFAOYSA-N	317.740	1.411	50	20	DDGD	
Cc1cccc(-n2cc(C(=O)NNc3ncncc3F)nn2)c1	817078720	QWIJPPHXUVAKKZ-UHFFFAOYSA-N	313.296	1.262	50	20	DDGD	
CC(C)(C)n1cc(C=NNC(=O)COc2ccccc2O)cn1	814951618	MCIQHBRPJDSEIC-UHFFFAOYSA-N	316.361	1.873	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N=c1nc[nH]n1C(C)C	824012864	VFSALIUUZNBTPN-UHFFFAOYSA-N	310.789	1.585	50	20	DDGD	
CCOc1cn(-c2ccccc2)nc1C(=O)NN(C)[C@@H](C)CO	823959576	LUXRYSNFPNZQLE-LBPRGKRZSA-N	318.377	1.228	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C1(NC(=O)OC(C)(C)C)CCC1	496366852	YMABSHYZUGRFSH-UHFFFAOYSA-N	313.398	1.627	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c1	826289764	LZAUMICTWBFBMX-UHFFFAOYSA-N	301.285	1.399	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC[C@H](c2cccnc2)C1	829518696	BLPLFHKVASTVTK-ZDUSSCGKSA-N	304.394	1.064	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)Cc1ccc(Br)cc1F	823912576	IKEIBNUJCPMNOL-QMMMGPOBSA-N	319.174	1.475	50	20	DDGD	
CCN(CCO)NC(=O)CCC(=O)c1ccc2c(c1)CCC2	823838137	LDUSXMVBAHNGIS-UHFFFAOYSA-N	304.390	1.484	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Cc1cccnc1	728851936	GIAXVPPYGPCEIR-LLVKDONJSA-N	317.320	1.378	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cccc(NC(=O)c2ccco2)c1	823971690	YJRDUIPJNFMKEU-LLVKDONJSA-N	317.345	1.489	50	20	DDGD	
O=C(NC[C@H]1CCC[C@H]1c1ccccc1)c1cccc(B(O)O)c1	584995767	REVYMLGXNBXYMM-AEFFLSMTSA-N	323.201	1.680	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCCc2sccc2C1	827298610	JOVGWJZYQRLVSX-CMPLNLGQSA-N	323.418	1.662	50	20	DDGD	
CCO[C@@H]1C[C@H](NCc2ccc(B(O)O)o2)C12CCCCC2	585029712	RSOKGSJSJLUIOB-UONOGXRCSA-N	307.199	1.177	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C	495855087	ADKXXQBLVFJPMB-SNVBAGLBSA-N	323.397	1.956	50	20	DDGD	
CCCC1CCC(N(C)C(=O)c2cccc(B(O)O)c2)CC1	584981166	SLOFQZFLIATTHY-UHFFFAOYSA-N	303.211	1.797	50	20	DDGD	
Cc1nc(C(C)C)oc1-c1nc(-c2ccc(B(O)O)cc2)no1	585053735	GVCDHCAHOJUHER-UHFFFAOYSA-N	313.122	1.503	50	20	DDGD	
C[C@H]1CCCC[C@H]1N1CCC(=NNC(=O)c2ncon2)CC1	901289693	KVBOKIVDKLKPCH-WCQYABFASA-N	305.382	1.830	50	20	DDGD	
C#CCCCC(=O)NN=Cc1c(Br)c(C)nn1C	901325805	YTHMFKCAWGPFBK-UHFFFAOYSA-N	311.183	1.745	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(Cc1ccccn1)C(C)C	732198251	ZBGHIKODIBVRKS-AWEZNQCLSA-N	320.437	1.874	50	20	DDGD	
O=C(Cc1ccc(-n2cccc2)cc1)NNC(=O)Cc1cc[nH]n1	730091009	XDILNDXERLOPJA-UHFFFAOYSA-N	323.356	1.133	50	20	DDGD	
O=C(/C=C/c1ccc[nH]1)NNC(=O)c1cc(Cl)ccc1O	493133983	ULJPAOYULJMCAW-GQCTYLIASA-N	305.721	1.848	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NNC(=O)C(C)C	736066384	FNVXVUKEXCWKSL-RYUDHWBXSA-N	312.414	1.010	50	20	DDGD	
COC1(CNCc2ccc(B(O)O)cc2F)CCC(C)CC1	585039433	RLDHLJOXDMCLPY-UHFFFAOYSA-N	309.190	1.190	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1cc2c(nc1O)CCC2	733651276	IZKQXICEJVSCLF-UHFFFAOYSA-N	320.393	1.543	50	20	DDGD	
COc1ccc([C@@H](NCc2cccc(B(O)O)c2)C2CC2)cn1	585049908	ZPHDQLILLGJING-KRWDZBQOSA-N	312.178	1.011	50	20	DDGD	
OB(O)c1cccc(CNC[C@H]2CCCC[C@@H]2C(F)(F)F)c1	585031047	OWYUIHPDWKZORT-OCCSQVGLSA-N	315.144	1.825	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2ccc(Cl)cc2O)CCCCO1	839556521	ZXMLZZWYPMCICI-AWEZNQCLSA-N	312.753	1.766	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](C)Cc1cnn(C)c1	836193404	VCRYKXNZKZHHAM-LBPRGKRZSA-N	315.377	1.304	50	20	DDGD	
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NNc1ccc(C#N)cc1	907093070	PYUHMGDXTDVAPU-UONOGXRCSA-N	301.346	1.981	50	20	DDGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](CC(=O)O)C1	833061520	CPLNSOFOELQPKI-FGFBTAOXSA-N	317.301	1.635	50	20	DDGD	
CC[C@H](C)[C@H](C=NNC(=O)CNC(=O)c1cccs1)OC	834952053	KHLDGSGDPSRPTA-QWRGUYRKSA-N	311.407	1.641	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(C)cc1C	730576663	UGDPJJZLUNGFGJ-ZDUSSCGKSA-N	308.403	1.578	50	20	DDGD	
CC(C)[C@]1(C)C[C@H]1NC(=O)NNc1ccc(-n2cccn2)nn1	838768224	ZIWCTANBLZZREN-ABAIWWIYSA-N	315.381	1.723	50	20	DDGD	
CCC[C@H](C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	736419140	JUVKGBZYKWESGU-VIFPVBQESA-N	302.338	1.064	50	20	DDGD	
COC(=O)c1ccc(C(=O)COC(=O)/C(C#N)=C\C2CC2)o1	837689143	XDJYOEFDOWIYOS-POHAHGRESA-N	303.270	1.652	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1cc2ccccc2s1	907126472	GFMWDFUWCAZXRB-UHFFFAOYSA-N	313.404	1.756	50	20	DDGD	
CCN(CC)CCOCCNC(=O)[C@]1(C)C[C@@H]1Br	907351620	GHONYCJNLUBXRV-WCQYABFASA-N	321.259	1.635	50	20	DDGD	
CC(C)[C@H]1N(C(=O)c2ccc(B(O)O)c(F)c2)CC12CCC2	584993441	YQIVJOVZVQEDSH-CQSZACIVSA-N	305.158	1.156	50	20	DDGD	
Cc1cc(C)c2c(c1)CCN(C(=O)c1cccc(B(O)O)c1)C2	584973813	JYSVRVOPEFOXNG-UHFFFAOYSA-N	309.174	1.182	50	20	DDGD	
CCOCCCN1CCC(=NNC(=O)c2cnn(C)c2)[C@H](C)C1	735413861	SNLHIJUTXJUQHT-CYBMUJFWSA-N	321.425	1.274	50	20	DDGD	
CCCn1cc(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)cn1	736503431	WLEDMBCQIVOEHR-UHFFFAOYSA-N	324.348	1.237	50	20	DDGD	
C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NN(C)C(N)=O	839717673	OVZCFSLPUSBJFE-QMMMGPOBSA-N	319.283	1.806	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)CSCC#N	915191503	XBAWANHWXCBRJA-UHFFFAOYSA-N	313.766	1.366	50	20	DDGD	
CC1CCN(C[C@@H](C)C(=O)NN=C2CCn3ccnc32)CC1	834932788	KKZFZBGBTXVYJP-CYBMUJFWSA-N	303.410	1.475	50	20	DDGD	
CN(NC(=O)c1cccc([S@](C)=O)c1)C(=O)OC(C)(C)C	838372404	RGAHEJQYUDIWBM-NRFANRHFSA-N	312.391	1.936	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@@]2(CCSC2)C1	832511224	PNEVVPLKFMWYPK-OAHLLOKOSA-N	313.467	1.399	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2ccc(O)cc2)n1	746747639	RUPLVMNBUJJCMA-UHFFFAOYSA-N	303.322	1.326	50	20	DDGD	
Cc1cccc2c1CC[C@@H]2NC(=O)NNC(=O)Cc1ccncc1	747582693	UWTZYKPOZKNYNG-INIZCTEOSA-N	324.384	1.950	50	20	DDGD	
CC(=NNC(=O)N(C)C)[C@H](c1ccccc1)N1CCOCC1	745602233	OVRQICSARBKDNR-OAHLLOKOSA-N	304.394	1.707	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(N(C)c2ccccc2)nc1	910169374	CBURPGXJWGRRQW-CYBMUJFWSA-N	314.389	1.807	50	20	DDGD	
COc1cccc(NCC(=O)NN=Cc2ccc([N+](=O)[O-])o2)c1	916360035	VXEDUWNTOXYINK-UHFFFAOYSA-N	318.289	1.759	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCCC[C@@H]2CN)cc1	841948397	KEZTXTIPQRBHKH-ZIAGYGMSSA-N	315.377	1.020	50	20	DDGD	
Cc1c(NNC(=O)NCCCNC2CC2)cccc1[N+](=O)[O-]	841918470	KBMIIQXHWIAJGO-UHFFFAOYSA-N	307.354	1.671	50	20	DDGD	
CC(CCN(C)C)=NNC(=O)c1nn(-c2ccccc2)cc1O	915952739	WLGCGJXGVJWGJB-UHFFFAOYSA-N	315.377	1.635	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2cc(O)nc(C3CC3)n2)c1	847603644	XXFJVFCATBQPEL-UHFFFAOYSA-N	318.308	1.964	50	20	DDGD	
CCn1nc(C(=O)NN=Cc2cccnc2)c2ccccc2c1=O	916321514	NHRYPVJWQQSMIJ-UHFFFAOYSA-N	321.340	1.575	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)OC[C@H](O)C(C)C)cc(C#N)n1C	849673756	ZEGMQKJNOVPGCS-XNISGLLXSA-N	301.346	1.672	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCCNC1CCCCCC1	841957991	CTIITTGVOGUFOV-UHFFFAOYSA-N	324.347	1.582	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CN2[C@H](C)CC[C@H]2C)cc1	742241531	LQNYIMPDCIMCMJ-CHWSQXEVSA-N	303.406	1.883	50	20	DDGD	
CCc1ccc(C(=O)NNC(=S)NC[C@H]2CCOC2)cc1	749637893	FIVPBIDETUDRSZ-GFCCVEGCSA-N	307.419	1.394	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1ccc2ncccc2c1	741652151	FGOHFJMNTOPFLN-UHFFFAOYSA-N	308.363	1.137	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)CNC(=O)c2cccs2)s1	748786507	SQRQEDUDLSWOED-UHFFFAOYSA-N	318.383	1.561	50	20	DDGD	
COc1ccc(CCS(=O)(=O)NCCCSC#N)cc1	916985683	NZSDRNSILPYDRR-UHFFFAOYSA-N	314.432	1.761	50	20	DDGD	
COCCNC(=O)NNc1cc(F)ccc1Br	840239306	ZIZVRNXLBFUGPC-UHFFFAOYSA-N	306.135	1.861	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)NC[C@H](N)C2CC2)cc1	841966030	NUYDGYCSQDFKPL-ZDUSSCGKSA-N	322.434	1.155	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F	910165212	HUHLPKCGFGQNPL-VHSXEESVSA-N	320.311	1.817	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CC2C3CC4CC(C3)CC2C4)cn1	844395966	ZOLMNCUCFCGKQA-UHFFFAOYSA-N	316.405	1.644	50	20	DDGD	
CC(C)[C@@H]1C[C@H](CC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CCO1	843659148	HLHIIXCJQDYQDL-SYQHCUMBSA-N	312.410	1.400	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCCC1CCNCC1	846209891	ILHMSTVJVVWYHH-UHFFFAOYSA-N	318.421	1.339	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@H]1c1ccccc1)c1ncccn1	841352470	LQZLFMRQUIKFKS-UONOGXRCSA-N	310.357	1.822	50	20	DDGD	
Cn1c(=NNC(=O)N[C@@H]2CCSC2)sc2ccccc21	743691724	SGBCEIPQMYJNKJ-SECBINFHSA-N	308.432	1.860	50	20	DDGD	
C[C@]1(CNC(=O)N[C@H]2CC[C@H](O)CC2)C[C@@H]1Br	856881127	OPHKCFMJDFVAHR-QFOLPQNPSA-N	305.216	1.763	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@H]1CCc2ccccc2C1	845908582	ZVKHZMMYLTYCMZ-ZDUSSCGKSA-N	323.487	1.650	50	20	DDGD	
O=C(NNc1cccc(Cl)c1)[C@@H]1CCc2nnnn2CC1	845143768	GXURSOLSZLOLOU-SECBINFHSA-N	306.757	1.422	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(O)c1	843979015	LZBBALXSSDNEBS-PWSUYJOCSA-N	306.362	1.702	50	20	DDGD	
O=C(NNC(=S)NCC1CC1)c1cc(-c2ccccc2)[nH]n1	849251698	NVWJDLMLSCFMDL-UHFFFAOYSA-N	315.402	1.596	50	20	DDGD	
CCCN(C)c1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	843648815	RURRJDDQKDHRRP-DOMZBBRYSA-N	319.405	1.719	50	20	DDGD	
CCn1ccnc1C(=O)Nc1cccc(NC(=O)NN(C)C)c1	843870376	SYHHLKKSHJCHQX-UHFFFAOYSA-N	316.365	1.753	50	20	DDGD	
NC[C@@H]1CCN(C(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)C1	846665507	HEEMETYPRUTMKP-MEWQQHAOSA-N	301.228	1.747	50	20	DDGD	
COc1ccccc1CC(=O)NN=C[C@@H](OC)[C@H]1CCOC1	841621011	QHDFZUONIQCHFI-DZGCQCFKSA-N	306.362	1.391	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)[C@H]1CC(=O)N(C2CC2)C1	746703813	GMDFHEXCWCVZSU-ZETCQYMHSA-N	313.279	1.558	50	20	DDGD	
CCNC(=O)CCC(=O)Nc1cccc(NC(=O)NN(C)C)c1	843870622	LGNPJEGZXNUVKN-UHFFFAOYSA-N	321.381	1.140	50	20	DDGD	
CCOCCn1cc(C(=O)NNc2ccc(OC)cc2)cn1	857115307	DTBSULVSNUMMIS-UHFFFAOYSA-N	304.350	1.685	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)C1CCCC1)C(=O)OC	753176765	JPOALRWUAKSIDQ-UHFFFAOYSA-N	313.398	1.486	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)CCO2)OCC(F)(F)F	856025725	XMDQRIQFTXMPPC-UHFFFAOYSA-N	304.224	1.555	50	20	DDGD	
Cc1nc2ccc(NC(=O)NNC(=O)c3ccccn3)cc2o1	755623770	DHODGQDPLNVSBD-UHFFFAOYSA-N	311.301	1.998	50	20	DDGD	
NC(=O)c1ccc(CC(=O)NNc2ccc(F)c(F)c2F)cc1	754207426	OBICKHWVKKFODS-UHFFFAOYSA-N	323.274	1.889	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@@H]1OCCc2ccccc21	750537465	LDPIVSXNAMXSNJ-LLVKDONJSA-N	302.252	1.400	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C1CN(C2CC2)C[C@@H]1C	755879401	JTHIRTQOYOPQQC-LBPRGKRZSA-N	316.405	1.693	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1occc1C(C)C	854285194	IGLNKJSERMPJQS-UHFFFAOYSA-N	313.423	1.891	50	20	DDGD	
N#Cc1ccc(Br)c(NNC(=O)[C@@H](O)C2CC2)c1	855618102	VTECUNFGYILSHC-NSHDSACASA-N	310.151	1.535	50	20	DDGD	
Cc1n[nH]cc1CNC(=O)NC[C@]1(C)C[C@@H]1Br	856838137	ABJBSOYQLRMXBK-ONGXEEELSA-N	301.188	1.691	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1	854409521	IVXAQHHXHURBOF-KYZUINATSA-N	301.343	1.019	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC(C)C)cnc1Br	929793996	UXZPUJJQOMFILZ-UHFFFAOYSA-N	314.183	1.960	50	20	DDGD	
CC1(C)CC(=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)C(C)(C)O1	853388383	FPRNNYMZMDAUTH-NEPJUHHUSA-N	309.410	1.299	50	20	DDGD	
COc1ccc(NCC(=O)NN=Cc2cnc(C)n2C)cc1	853263144	ZMNXTNYDPGLHEO-UHFFFAOYSA-N	301.350	1.299	50	20	DDGD	
CC(C)C(=O)NNC(=O)CC(C)(C)CNC(=O)OC(C)(C)C	929288225	QYRGOHXRNSDAJB-UHFFFAOYSA-N	315.414	1.731	50	20	DDGD	
C#CCCCC(=O)OCC(=O)NNC(=O)Cc1ccccc1C	759174391	VGRLBWRBVFTRDX-UHFFFAOYSA-N	316.357	1.032	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	858135847	FGOYLRGLFKDFRW-CQSZACIVSA-N	324.377	1.670	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(F)c2cccnc12	759204296	CRQQSJGLASNCNG-LLVKDONJSA-N	319.336	1.876	50	20	DDGD	
CO[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2C)C1(C)C	753425310	NBYLWRSJIKWMPU-QWHCGFSZSA-N	305.378	1.753	50	20	DDGD	
CN(C[C@@H]1COCCO1)C(=O)/C(C#N)=C\c1ccc(F)cc1	855678335	HPEMUGZDPCBHGA-JEMSNHSXSA-N	304.321	1.606	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNC(=O)c2cccc(Cl)n2)nn1	857323792	YVEXGEKTROJXDV-UHFFFAOYSA-N	322.756	1.156	50	20	DDGD	
C[C@@H](Cc1cnc2ccccc2n1)C(=O)NNc1cnnn1C	857270702	LJGJRGHVOUSQAJ-JTQLQIEISA-N	311.349	1.080	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@H]1c1ccccn1	751480347	DLOXAUABFSINOV-ZDUSSCGKSA-N	304.394	1.412	50	20	DDGD	
COc1ncc(C)cc1NC(=O)NNC(=O)c1ccccc1O	756847141	CYXAZPONIOLSSH-UHFFFAOYSA-N	316.317	1.571	50	20	DDGD	
COCCCCNC(=O)NNc1ccc([N+](=O)[O-])cc1F	853368367	HQGZRMXKXMKEHN-UHFFFAOYSA-N	300.290	1.787	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@]2(C3CCCC3)CCNC2=O)o1	859953887	BIUKORVKZPGFBF-MRXNPFEDSA-N	319.361	1.046	50	20	DDGD	
Cc1cc(=NC(=O)NNC(=O)Cc2ccc(Cl)cc2)cc[nH]1	757808468	YSFTWUCSOKOGLK-UHFFFAOYSA-N	318.764	1.861	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)CNC(=O)NNC(=O)CC(F)(F)F	752699805	HEHQHVUKXXSALP-LURJTMIESA-N	322.287	1.678	50	20	DDGD	
Cc1cc(C)n(CCCC(=O)NNc2ncncc2Cl)n1	935545674	VAZGQXQWOMXNBY-UHFFFAOYSA-N	308.773	1.867	50	20	DDGD	
CCOc1ccc(C(=O)NN=C2CN(C)C[C@H]2C)cc1OC	752163578	GRSQRNISSBUWDE-LLVKDONJSA-N	305.378	1.761	50	20	DDGD	
COCCn1ccc(NC(=O)NNC(=O)c2ccccc2F)n1	756311322	NLXYVJJRONRGPI-UHFFFAOYSA-N	321.312	1.135	50	20	DDGD	
N#CCC1CCN(C(=O)NNC(=O)c2cccc(F)n2)CC1	852709627	ZQGBYJJDYIFNKE-UHFFFAOYSA-N	305.313	1.201	50	20	DDGD	
COCC[C@H](C)S(=O)(=O)NC[C@@]1(C)C[C@@H]1Br	856754821	NVAHKQNASUQSFO-LPEHRKFASA-N	314.245	1.504	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](C)c1cn(C)c2ccccc12	854922652	ORNCDXZOKDJOFL-SNVBAGLBSA-N	304.419	1.749	50	20	DDGD	
CO[C@@H](Cc1ccccc1)C(=O)NNC(=S)NCC1CCC1	855087924	TZDPVBYCTZKIGU-AWEZNQCLSA-N	321.446	1.540	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCCCC1=NNC(=O)C1	854486904	DAWAPUKLTICJRR-XYOKQWHBSA-N	314.320	1.505	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)C2CSC2)cc1OC	864510477	BNDUQSPVYFKLRV-UHFFFAOYSA-N	324.402	1.608	50	20	DDGD	
COC(=O)Nc1cccc(NCc2cccc(B(O)O)c2)c1	864020366	UZRNNCQESIVORY-UHFFFAOYSA-N	300.123	1.157	50	20	DDGD	
Cc1csc(CCC(=O)NNC(=O)CNc2ccccc2)n1	769845071	DJQCEKCCTULADM-UHFFFAOYSA-N	318.402	1.644	50	20	DDGD	
Cc1ccc(CNS(=O)(=O)CC(C)(C)CCl)c(=O)n1C	867200449	MMXJKANEEUHULX-UHFFFAOYSA-N	320.842	1.378	50	20	DDGD	
CCC[C@H](C)N1C[C@H](C(=O)NN=c2cc[nH]c(C)c2)CC1=O	862510795	TXJCYDOUCRAPDR-QWHCGFSZSA-N	304.394	1.292	50	20	DDGD	
Cn1c(C(=O)NNc2cc(C#N)cc(Cl)n2)cccc1=O	768712938	ZLFXCRZAJGQNAQ-UHFFFAOYSA-N	303.709	1.062	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cccc([N+](=O)[O-])c1C	764595861	FFEZKZPCLPEMPS-UHFFFAOYSA-N	318.293	1.850	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cnc(-c2ccccc2)s1	763441510	KZKGCELXVYEFPQ-UHFFFAOYSA-N	318.358	1.306	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)N[C@H]1CCC(F)(F)C1	763704956	FUDNEMIQUSOEQA-NSHDSACASA-N	315.295	1.886	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccc(SC)cn1	764722352	RNSWMQNPPSDVKZ-UHFFFAOYSA-N	306.351	1.751	50	20	DDGD	
COCCOc1ccc(CC(=O)NNc2ncc(F)cn2)cc1	760486660	LSFMSTIXMQJTGU-UHFFFAOYSA-N	320.324	1.327	50	20	DDGD	
COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)NCC(Cl)Cl	867470600	RAKCAYGWNAPNGE-JGVFFNPUSA-N	318.222	1.441	50	20	DDGD	
CC(=NNC(=O)c1cccc(S(C)(=O)=O)c1)c1cscn1	767900785	XHUQFKSCVXQNAD-UHFFFAOYSA-N	323.399	1.701	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)[C@H](C)C2)c(O)c1	763945289	NGNZTENLRQWSJQ-MNOVXSKESA-N	304.346	1.467	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)CC(F)(F)F)c2ccccc21	862058959	RYNAGEQZJZXPNL-UHFFFAOYSA-N	300.240	1.287	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)CSc1ccccc1O)C1CC1	763524456	KVYUOEWAZXRFTI-JTQLQIEISA-N	323.418	1.861	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NNc1ncccn1	1118904917	BTYIJJWUJGMRQK-GARJFASQSA-N	319.365	1.175	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCN2CC(F)F)cn1	862697821	XHYSBEKNYTZSNT-YFTXEMMHSA-N	323.347	1.173	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NC2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)c1	769199359	FDXLHSRZMLGITM-IMIFBBOLSA-N	310.357	1.547	50	20	DDGD	
C=CCCOCC(=O)NNC(=S)Nc1ccc(OC)nc1	874953486	DDNKEUZLWXWSAO-UHFFFAOYSA-N	310.379	1.001	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1cnn(CC(F)(F)F)c1	763609514	HLLQJMFWSWXQAO-UHFFFAOYSA-N	321.303	1.322	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN[C@H](c2cccc(OC)c2)C1	870149965	HONSKUXOYLJDFO-HECSCLNYSA-N	315.373	1.612	50	20	DDGD	
COc1cccc(NNC(=O)[C@H](C)Cc2c(C)n[nH]c2C)n1	1116516781	FXDXIFIGYMEKKP-SECBINFHSA-N	303.366	1.752	50	20	DDGD	
CN(C)C(=O)CCCNC(=O)[C@@H](Br)C(C)(C)C	767321811	IQJLNGNZTMVJMN-SNVBAGLBSA-N	307.232	1.781	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccc(Cl)nc1)CC(C)(C)C	874071586	CWBIFCZROLSWJW-UHFFFAOYSA-N	312.801	1.474	50	20	DDGD	
O=C(NN=Cc1ccc(O)c(O)c1)c1n[nH]c2c1CCCC2	1115823722	QUDTWRRJZGWQIH-UHFFFAOYSA-N	300.318	1.464	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)c2ccccc2F)cc1O	772906663	NKBGISLLEBOKFD-UHFFFAOYSA-N	302.305	1.843	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCCO3)C1	776298501	ZCKSAWDYOUMPFK-MNOVXSKESA-N	304.346	1.655	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccc([N+](=O)[O-])cc1O	772853817	JCCJMGNROUADCK-UHFFFAOYSA-N	317.305	1.971	50	20	DDGD	
O=C(CN1CCCC1)NNC(=O)C12CC3CC(CC(C3)C1)C2	873780150	BBFJSJXKTJBTPJ-UHFFFAOYSA-N	305.422	1.446	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CCO1	776296570	DKKSRPRLILJBKR-JQWIXIFHSA-N	320.345	1.034	50	20	DDGD	
CSSCCNC(=O)N1CCCC[C@H]1CNC(C)=O	875569958	UOHZTHIAPZSKKT-NSHDSACASA-N	305.469	1.698	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1COc2cc(F)cc(F)c21	875486513	RNYAOVGPDGZWBF-MRVPVSSYSA-N	301.249	1.311	50	20	DDGD	
CCn1cc(C(=O)NNc2cc(C)nc(C)n2)c(C2CC2)n1	878895224	AZDQGSQNFQVBPL-UHFFFAOYSA-N	300.366	1.944	50	20	DDGD	
COC(=O)[C@H](C)n1cccc1C=NNC(=O)c1cccnc1	774575459	MTYXYUNRTJCRSL-NSHDSACASA-N	300.318	1.381	50	20	DDGD	
CCOc1nc(C(=O)NNc2ccc(C(F)(F)F)nn2)co1	773484365	WJWRQEUWAQTSBQ-UHFFFAOYSA-N	317.227	1.639	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc(OC(F)(F)F)cc1	872402757	CWFPAMPYVZNPDU-UHFFFAOYSA-N	320.267	1.698	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NN=C1CCn2cccc21	779807371	TUADWQMKKKILCU-UHFFFAOYSA-N	306.366	1.627	50	20	DDGD	
O=C(NNC(=O)c1ccn(C(F)F)n1)c1ccc(Cl)nc1	775661952	SEXSCGVJEDUOED-UHFFFAOYSA-N	315.667	1.401	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)C1=Cc2ccccc2OCC1	775252232	QROKHUMEGMEUBN-UHFFFAOYSA-N	310.375	1.417	50	20	DDGD	
CN1CCCC(C)(C)[C@H]1CNC(=O)NNc1ccc(C#N)cn1	888919544	ARCZXSSZRYTCNX-CYBMUJFWSA-N	316.409	1.700	50	20	DDGD	
CCOC(=O)C1(CC(=O)NNC(=O)c2ccccc2O)CCC1	789152968	SYGYCTGHKUSAFZ-UHFFFAOYSA-N	320.345	1.277	50	20	DDGD	
Cc1cccc(C2(C(=O)NNC(=O)c3cccnn3)CCC2)c1	882058771	QIPVEMYZARTAKU-UHFFFAOYSA-N	310.357	1.668	50	20	DDGD	
CN(C)[C@]1(C(=O)NNc2ccccn2)COc2ccccc2C1	1123684760	NHYXYDSBKNBMFX-KRWDZBQOSA-N	312.373	1.460	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC[C@@H](C(N)=O)C1	781070972	NNAMULUJDWNEMZ-BDAKNGLRSA-N	305.216	1.520	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CCCn1cccn1	780730124	BECIMLVOUJDARE-UHFFFAOYSA-N	302.334	1.593	50	20	DDGD	
COc1cc(C#N)ccc1NC(=O)C(=O)NNc1ccc(C)cc1	783345816	BYIAOGFREKDRQB-UHFFFAOYSA-N	324.340	1.957	50	20	DDGD	
COc1ccc(NNC(=O)CSc2nncn2C(C)C)nc1	781533533	IBFPPDRRFYGMQM-UHFFFAOYSA-N	322.394	1.498	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=S)NC2(C)CC2)c1	789162149	OQUMTRSNOJEVFS-UHFFFAOYSA-N	307.419	1.730	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc(C(F)(F)F)n[nH]1	899997046	DTCONYLKTFCZNC-UHFFFAOYSA-N	309.317	1.336	50	20	DDGD	
COc1cc(OC)c(C(=O)NN=c2cc[nH]cc2)cc1OC	780761226	MWRIGKYIVNEENX-UHFFFAOYSA-N	303.318	1.286	50	20	DDGD	
CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	899949019	OYPREPBSHGJFJK-QMTHXVAHSA-N	303.362	1.265	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCC(=NNC(=O)NC2CCCCC2)C1	788414046	GNJOCZCMKCWXTK-ZDUSSCGKSA-N	315.439	1.962	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1	1136448708	MPBCTFHDUJXACO-WDEREUQCSA-N	313.304	1.694	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2	782548716	AJVUVOWDVXPRCT-MRVPVSSYSA-N	306.322	1.215	50	20	DDGD	
CCOC(=O)N(C)CCCC(=O)NNC(=O)CC1CCCC1	896033863	RHOSCNJGHTZLBD-UHFFFAOYSA-N	313.398	1.583	50	20	DDGD	
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NNc1cc(C)nc(C)n1	895155091	CPMMQHHPKYDYDL-NWDGAFQWSA-N	306.366	1.516	50	20	DDGD	
Cn1cc(C#N)c(NC(=O)NNc2cccc(F)c2[N+](=O)[O-])n1	790513095	DJMUSDUSEFQZGK-UHFFFAOYSA-N	319.256	1.488	50	20	DDGD	
O=C(COC(F)F)NNC(=O)CC12CC3CC(CC(C3)C1)C2	794614167	SIIAMKYWRVJLQZ-UHFFFAOYSA-N	316.348	1.980	50	20	DDGD	
CC[C@H](C)n1ncc(NC(=O)NNC(=O)c2cccn2C)c1C	792483421	MWFILWQYWDVDIV-JTQLQIEISA-N	318.381	1.968	50	20	DDGD	
C=C(CBr)COC(=O)c1coc(S(N)(=O)=O)c1	795562679	KBAYTPNBNQRKJW-UHFFFAOYSA-N	324.152	1.035	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)Cc1cn2ccccc2n1	793600100	QLQBBSJOXUYUEZ-NHYWBVRUSA-N	318.377	1.085	50	20	DDGD	
COC(=O)C[C@H]1CCC(=NNC(=O)c2ccc(O)c(O)c2)[C@H]1C	794558677	HVWXJVGMKCCGSO-VHSXEESVSA-N	320.345	1.793	50	20	DDGD	
C=C(CBr)COC(=O)c1cncc(C(=O)OC)c1	795579693	WQYWGSHQIPEFLZ-UHFFFAOYSA-N	314.135	1.976	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2CC(c3ccccc3)=NO2)n1	794090272	QAVLCTXGBIVGFW-OAHLLOKOSA-N	324.340	1.344	50	20	DDGD	
CSSCCNC(=O)NC[C@H]1CCCN(C(C)=O)C1	790849130	ZCFVMHVAQZAMNO-LLVKDONJSA-N	305.469	1.555	50	20	DDGD	
Cc1ccnc(O)c1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	1319920431	FQYVPORBMSRBSI-UHFFFAOYSA-N	316.273	1.079	50	20	DDGD	
O=C(NNc1ccc(F)cc1Br)C(=O)NC1CC1	1319470059	BVMJXYKBSKURRV-UHFFFAOYSA-N	316.130	1.310	50	20	DDGD	
COC(=O)C(=O)NN=C1CCCC[C@@H]1N1C[C@@H](C)C[C@H](C)C1	1318984039	MLDZQBROLMRRHN-OBJOEFQTSA-N	309.410	1.552	50	20	DDGD	
CC(C)NC(=O)c1ccc(C(=O)NNC(=S)NC(C)C)cc1	1319769867	PRLQEJQATSMVJH-UHFFFAOYSA-N	322.434	1.342	50	20	DDGD	
COc1cc(Cl)c(C)cc1NC(=O)NNC(=O)CCO	1321215009	JKHWFAOUVHWLMI-UHFFFAOYSA-N	301.730	1.192	50	20	DDGD	
Cc1cc(C)c(C(=O)NNc2nncc(N)c2Cl)cc1C=O	1321046456	IYQBAKVXKHTJOQ-UHFFFAOYSA-N	319.752	1.898	50	20	DDGD	
C[C@@H](CBr)COC(=O)c1ccc(C(N)=O)nc1	1320638451	UAWBDKZKGDNKCD-ZETCQYMHSA-N	301.140	1.368	50	20	DDGD	
Cn1ccc(NNC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)n1	1327550316	GMTRHZQOKKOJSY-ZIAGYGMSSA-N	300.362	1.684	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1Cc2ccccc2C2(CCC2)C1	1327871748	CGOGGUQWCOGMNC-CYBMUJFWSA-N	315.417	1.870	50	20	DDGD	
C[C@H]1CN(c2nnnn2C[C@]2(C)C[C@H]2Br)CCO1	1335978091	TWINUYZVSZLNBF-NGZCFLSTSA-N	316.203	1.072	50	20	DDGD	
C[C@@H]1CCCC[C@H]1OCC(=O)NNc1nncc(N)c1Cl	1333508192	METSAAYFJVDEKO-PSASIEDQSA-N	313.789	1.751	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2occ(C)c2C)cc1	1342190666	CPGUQACCIKGFTL-UHFFFAOYSA-N	317.345	1.778	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H]1F)Nc1ccc(OC(F)F)cc1	1346962449	RFBCILNENGIVCW-IUCAKERBSA-N	303.240	1.799	50	20	DDGD	
C[C@]1(C(=O)N[C@H]2Cc3cccnc3NC2=O)C[C@@H]1Br	1352671728	RPGNKHDIEQHBFP-RVBZMBCESA-N	324.178	1.235	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@]2(C)CC(C)=NO2)c1C	1358399955	VKSBMMBRFDDMJS-HNNXBMFYSA-N	305.334	1.780	50	20	DDGD	
COc1cc(F)c(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(F)c1	1521452351	JNBNYMOPSLTGDS-VXNVDRBHSA-N	314.288	1.159	50	20	DDGD	
Cc1onc(CC(=O)NNc2ccccc2C(=O)O)c1C#N	1600863759	CXPBMHPZHSFYAD-UHFFFAOYSA-N	300.274	1.239	50	20	DDGD	
CC(C)(O)C(C)(C)CNC(=O)NNc1cccc(C(=O)O)c1	1609681299	ZNPLWCVRXHEOMR-UHFFFAOYSA-N	309.366	1.808	50	20	DDGD	
Cn1c(C=NNC(=O)CCN2CCCCCC2)ccc1C(=O)O	1600912379	RQFUCYZELRKZNG-UHFFFAOYSA-N	320.393	1.440	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC[C@@H](C(=O)O)C1	1605576574	OCNMEMDBDXHEOW-YFBAIUBQSA-N	300.314	1.622	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H](C(=O)O)C(C)(C)C	1605356231	FFQGMJMOXPUBJP-LLVKDONJSA-N	307.350	1.895	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)c1ccco1	1606856073	QHDNESRYGZZKLG-UHFFFAOYSA-N	304.697	1.870	50	20	DDGD	
O=C(O)[C@@H](NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)c1ccc(Cl)cc1	1608552480	IXUOOGCBVPEBCN-XQHKEYJVSA-N	324.764	1.654	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CC[C@](F)(C(=O)O)C1	1610618243	DTQHBCUHRROYJI-OCOPJHETSA-N	304.277	1.324	50	20	DDGD	
C[C@H]1CN(C)C[C@@H](C(=O)NN=C2CCOC3(CCCCC3)C2)O1	1552921593	FIMVNTZGTGHPJR-ZFWWWQNUSA-N	323.437	1.691	50	20	DDGD	
CC(C)(C)[C@H](C(=O)O)C(=O)NNC(=O)c1ccc(Cl)cc1	1573391125	RXKXUGIIWQNFOX-JTQLQIEISA-N	312.753	1.848	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C[C@@H](N)C(C)(C)C)c1	1579672522	FLVUNABJUWKWIW-CQSZACIVSA-N	321.421	1.593	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)CCCN)cc2cccnc12	1579165235	YGUFNPSPQVTPFO-UHFFFAOYSA-N	317.349	1.135	50	20	DDGD	
Nc1cc(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])ccn1	1580434049	FCAJVUFSAJDURR-UHFFFAOYSA-N	307.697	1.982	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(F)F	1847867110	PUTWTFVFFDUINC-GUBZILKMSA-N	308.756	1.861	50	20	DDGD	
CCc1oc(C=NNC(=O)c2ccc(CO)o2)cc1C(=O)O	1597793009	PVJIIEQTIUUTHX-UHFFFAOYSA-N	306.274	1.389	50	20	DDGD	
CSSCCNC(=O)c1cc(-c2nn[nH]n2)cs1	1591702222	ZJGWIUXZEHIJPQ-UHFFFAOYSA-N	301.422	1.669	50	20	DDGD	
Cc1cccc(NNC(=O)NCc2ccc(C(=O)O)cc2)n1	1594408132	BCOYJWDKCYIBAQ-UHFFFAOYSA-N	300.318	1.915	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CC)C1	1841278850	KOEVBCCRFZAWAY-NEPJUHHUSA-N	316.829	1.368	50	20	DDGD	
O=C(O)CCC(=O)NNC(=O)c1ccc(Br)s1	1594996878	SYLWXKUUYWOSKH-UHFFFAOYSA-N	321.152	1.136	50	20	DDGD	
Cn1nc(C(=O)O)cc1/C=C(/C#N)C(=O)NCCc1ccccc1	1594569398	SJTUFIXGSMHCNT-LCYFTJDESA-N	324.340	1.384	50	20	DDGD	
O=C(CCCc1cccs1)NNC(=O)[C@@H]1CC[C@H]1C(=O)O	1594685433	MZMDNSWZSYEECI-GHMZBOCLSA-N	310.375	1.329	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)C(=O)NNc1ccc(C(=O)O)c(F)c1	1592909191	QOSMHDKQDHZJJQ-VIFPVBQESA-N	320.324	1.579	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](C(=O)O)c1cc(F)ccc1F	1596864990	YTBZPRRKZFUNOR-QDZRJHCZSA-N	310.256	1.651	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cc(Cl)ncc1C(=O)O	1776082365	LZITWLTZPIALET-CBAPKCEASA-N	311.725	1.308	50	20	DDGD	
CCCC(=O)NN=Cc1cn(C2CCOCC2)nc1C(=O)O	1776107079	IXYWCBZQJDGZAS-UHFFFAOYSA-N	308.338	1.183	50	20	DDGD	
Cn1c(C(=O)O)c(C=NNC(=O)C2CC2)c2cc(F)ccc21	1776019338	CNIZLOYQZPLHRW-UHFFFAOYSA-N	303.293	1.876	50	20	DDGD	
CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC)C2	1793447716	WSOYBANZGIMDGK-OPDFLTKYSA-N	316.829	1.394	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2c(C)noc2C)c1	5272950	CYSYAADLSZZVFE-UHFFFAOYSA-N	303.318	1.440	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1ccc2c(c1)OCO2	17523332	ZQYVBCCHCQQXDF-UHFFFAOYSA-N	323.308	1.971	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1cccc(N2CCCCC2)c1	158189815	ZTTBYBASLGACMP-UHFFFAOYSA-N	319.409	1.391	50	20	DDGD	
CC(=O)NNC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(C)c2)C1	163411726	UMTQGKQUCJPNBW-CYBMUJFWSA-N	318.377	1.406	50	20	DDGD	
N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)NNc1ncnc2ccsc12	151492773	KWJYYCWRTREUMJ-UUTMEEIUSA-N	303.391	1.508	50	20	DDGD	
CCC(=O)N1CC[C@@H](NC(=O)NNc2cccc(C#N)c2)C1	151615896	MUOZGUSQCMCDBP-CYBMUJFWSA-N	301.350	1.195	50	20	DDGD	
C[C@H](NS(=O)(=O)CCCCCl)C(=O)NCc1ccco1	153746860	FDXQPBUYZKUJJD-JTQLQIEISA-N	322.814	1.223	50	20	DDGD	
C[C@H](OC1CCCCCC1)C(=O)NNC(=O)c1cccnc1	155559757	PLNZBFBOJUNZCA-LBPRGKRZSA-N	305.378	1.971	50	20	DDGD	
CSCCNC(=S)NNC(=O)CCCc1cccs1	154148005	JTKMWEKRDDEGJG-UHFFFAOYSA-N	317.505	1.929	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NNc2ncccn2)C1	159622030	MUOCXLLMANYIBQ-RYUDHWBXSA-N	305.382	1.204	50	20	DDGD	
CC(C)c1ccc([C@@H]2C(C#N)=C(SCC(N)=O)NC3=C2C(=O)CCC3)cc1	160201851	PLUFGISQXQEBAX-UHFFFAOYSA-N	381.501	3.458	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cccc(O)c1	6970246	IYXLEBRXZAUDQS-UHFFFAOYSA-N	309.325	1.877	50	20	DDGD	
CC[C@@H](CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)C(C)C	105365251	JPOJPAWSQPIYQS-QWHCGFSZSA-N	304.456	1.551	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCc2ccc(C#N)cc2)nc1	179781137	NSKFKBRLHONRIX-UHFFFAOYSA-N	324.340	1.816	50	20	DDGD	
CSCCCNC(=S)NNC(=O)c1ccc(C#N)cc1	57814937	QNUPQVGFKPUZQS-UHFFFAOYSA-N	308.432	1.420	50	20	DDGD	
COC(=O)c1ncsc1S(=O)(=O)NCC(Cl)Cl	310089484	QAPBQPDPPBEPBT-UHFFFAOYSA-N	319.191	1.012	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1nc(-c2ccncc2)no1)N(C)C	106914846	IMJZBIUJQIUCPM-LLVKDONJSA-N	304.354	1.161	50	20	DDGD	
CS(=O)(=O)Nc1cccc(C(=O)NNc2ccccc2)c1	111554383	UXOGMVDLHSGEQW-UHFFFAOYSA-N	305.359	1.815	50	20	DDGD	
CCc1nn(C)c(CC)c1CNC(=O)NNc1cccnn1	179299636	PNCJZSCPNOHTOS-UHFFFAOYSA-N	303.370	1.161	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCC(OC2CCCC2)CC1	111210936	FSINHPDXGMSOFU-GFCCVEGCSA-N	311.426	1.356	50	20	DDGD	
Cn1cc(C(=O)C(=O)NNc2cccc(C(F)(F)F)c2)cn1	171568765	RFHVCBURRHTWSL-UHFFFAOYSA-N	312.251	1.765	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)CC1CCCCC1	66790183	MSGSCNYBTSNKBQ-UHFFFAOYSA-N	313.398	1.629	50	20	DDGD	
CC(=O)Nc1ccc(/C=C(\C#N)C(=O)Nc2ccn(C)n2)cc1	179420996	ZYJIPLKKRBSSJL-UKTHLTGXSA-N	309.329	1.924	50	20	DDGD	
Cc1cccc(C(=O)NNC(=S)NC(C)(C)C)c1[N+](=O)[O-]	28716981	RCAIQCOYLUNKDE-UHFFFAOYSA-N	310.379	1.811	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)Cc1ccncc1)c1ccncc1	176399356	GYQGBPQTQQTZCD-AWEZNQCLSA-N	313.361	1.501	50	20	DDGD	
COc1csc(C(=O)NNC(=O)c2cccc(N(C)C)c2)c1	176434436	SZFPQTDQKXZGQX-UHFFFAOYSA-N	319.386	1.898	50	20	DDGD	
O=C(NNC(=O)C1(O)CCCC1)c1cc(-c2ccccc2)n[nH]1	28873046	VNPLKNROJIKZMJ-UHFFFAOYSA-N	314.345	1.143	50	20	DDGD	
Cc1nc(-c2c[nH]c(C(=O)NNC(=O)c3ccc[nH]3)c2)cs1	111531277	NOLQXOXMUAZZFZ-UHFFFAOYSA-N	315.358	1.850	50	20	DDGD	
CCC(=O)N1CCC(=NNC(=O)Cc2nc(C)cs2)CC1	64306530	OFXHKRYSFSBONL-UHFFFAOYSA-N	308.407	1.499	50	20	DDGD	
COC(=O)NCC(=O)NNc1c(Cl)cc(F)cc1Cl	126083642	BQSWZNCFJMLQLQ-UHFFFAOYSA-N	310.112	1.932	50	20	DDGD	
CCS(=O)(=O)c1ccc(C(=O)NNc2ccccn2)cc1	181260685	XSUNEEDNQHDQDB-UHFFFAOYSA-N	305.359	1.632	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C)N(C)C	124494145	GGMDUJDEYRXJBO-UONOGXRCSA-N	321.421	1.558	50	20	DDGD	
O=C(NC[C@@H]1CCN(C2CC2)C1)NNC(=O)c1ccccc1	79459520	SSFUMTWRLUEVLR-LBPRGKRZSA-N	302.378	1.115	50	20	DDGD	
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)/C(C#N)=C\c1ccc(O)cc1	188309063	QZGNCPJGWUEAKT-KMEGAEJISA-N	315.373	1.719	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@H](CC)COC)c1ccccc1	129438123	AEBVEJWBHILNSD-KGLIPLIRSA-N	307.394	1.936	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)C(=O)Nc1cnccc1C	189185661	WRECCDUOSIBGNF-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
Cn1c(=O)[nH]c2cc(C(=O)NNC(=O)OC(C)(C)C)ccc21	121105502	JRPIJODXYHARGX-UHFFFAOYSA-N	306.322	1.036	50	20	DDGD	
COc1ccc(C)cc1NC(=O)NNC(=O)Cc1cc[nH]n1	182782152	WPWDMNCMBOXANA-UHFFFAOYSA-N	303.322	1.122	50	20	DDGD	
CC[C@@H]1CCCCN1CCNC(=O)NNc1cccc(OC)n1	181281179	SOEMMEDRRUZKGO-CYBMUJFWSA-N	321.425	1.981	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCOCC23CCC3)cc1	135526347	ZGFPVNKFQAXGJE-UHFFFAOYSA-N	317.389	1.011	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cccc(C#N)c1)C1CCOCC1	134731960	QISPUJIQSILRBY-LLVKDONJSA-N	316.361	1.317	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2s1)C(=O)N1CCCC1	132277787	GOMXMXNICJMIBG-UHFFFAOYSA-N	317.370	1.285	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@@H](C)CN2CCCCC2)n1	181426778	AYBVFGHLJYBUTC-CYBMUJFWSA-N	321.425	1.838	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2ccc(C#N)[nH]2)cc1	138519412	DVRKNAHRATVIHE-UHFFFAOYSA-N	312.329	1.289	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Cc1ccc(C#N)cc1	194755258	JKLCSVXCAXLLHB-UHFFFAOYSA-N	323.352	1.499	50	20	DDGD	
O=C(C[C@@H]1CCCOC1)NNc1nc2ccccc2c(=O)[nH]1	192889345	KEJLAMYKSMBWKD-JTQLQIEISA-N	302.334	1.183	50	20	DDGD	
Cc1cc(/C=C(/C#N)C(=O)NOCC(N)=O)c(C)n1CC(C)C	89465281	XCMIKXGLNGKOQN-NSIKDUERSA-N	318.377	1.201	50	20	DDGD	
CC(C)CN1CCC[C@@H](CNC(=O)NNc2ncccn2)C1	130920502	NFZKLZHARACKTJ-ZDUSSCGKSA-N	306.414	1.471	50	20	DDGD	
CC(C)(C)[C@@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C(N)=O	194581864	VGHSQDBWFKOFFU-ZWXCPPHNSA-N	301.346	1.315	50	20	DDGD	
Cc1ccc(C)c(NC(=O)C(=O)NNc2ccnc(F)c2)c1	190310417	UHUVGOWSOKPKPB-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
Cc1ccc(-c2nc(C(=O)NNC(=O)C(C)(C)O)cs2)o1	190061230	PNWDPTVDRUVSJI-UHFFFAOYSA-N	309.347	1.243	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1	44017561	SQADTUZSYZKCRT-UHFFFAOYSA-N	308.338	1.607	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CC(=O)NNc1nc2ccccn2n1	191924142	NGUOOYWJWHWLLD-SECBINFHSA-N	314.349	1.971	50	20	DDGD	
CCSc1ccc(CC(=O)NNC(=O)c2cc(C)n[nH]2)cc1	269811543	FXMBOBMQYLHYRE-UHFFFAOYSA-N	318.402	1.834	50	20	DDGD	
CN1C[C@H](NC(=O)NNc2cc(Cl)ccc2Cl)CC1=O	268069451	VXUMCCPHXMSUOD-MRVPVSSYSA-N	317.176	1.850	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cn(Cc2cccs2)nn1	266264869	OLTXRAIHMWAWFD-UHFFFAOYSA-N	307.379	1.195	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)C1C[C@H]2CCC[C@H](C1)C2	365521491	JJLFPBHWUUYFKJ-STQMWFEESA-N	301.390	1.988	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccc(-n2cnnn2)cc1	274109820	CTMMSCUPUSZSED-UHFFFAOYSA-N	319.325	1.224	50	20	DDGD	
CC(C)[C@@H](O)C1(CNC(=O)NNC(=O)c2ccccc2)CC1	271753530	CIXRHFVOOQRGGL-CYBMUJFWSA-N	305.378	1.428	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)C[C@@H]1CCCCO1	270736841	WGSXSUUERXVOOF-NSHDSACASA-N	324.402	1.591	50	20	DDGD	
C[C@H]1C[C@@H](CNC(=O)NNC(=O)c2ccccc2F)CCO1	271656839	LSMFERGWEGSHFD-QWRGUYRKSA-N	309.341	1.585	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cnn(C)c1-c1ccccc1	271705106	MGYKLDHUTHKVGE-UHFFFAOYSA-N	300.362	1.894	50	20	DDGD	
C[C@H]1NC(C(=O)N2CC=C(C#N)CC2)=NN(c2ccccc2)C1=O	270899944	FGFHBMIPNXZJNW-GFCCVEGCSA-N	323.356	1.007	50	20	DDGD	
CC[C@@H](C)N(C)CCNC(=O)NNc1cccc(C(=O)OC)c1	272647686	JMOOMQRIICLQKH-GFCCVEGCSA-N	322.409	1.830	50	20	DDGD	
Cc1ccc(OCCNS(=O)(=O)CBr)cc1	271340085	FWMPQZSSPANHIS-UHFFFAOYSA-N	308.197	1.646	50	20	DDGD	
C[C@H](COCC(F)(F)F)NC(=O)NNc1ncccc1F	288229273	RUZMKUHNJUUSHB-SSDOTTSWSA-N	310.251	1.814	50	20	DDGD	
CCc1c(C(=O)NN(C)CCOC)cnn1Cc1ccccc1	288425431	MVCAZEXUBHYTHQ-UHFFFAOYSA-N	316.405	1.717	50	20	DDGD	
CCc1[nH]c(C(=O)NNc2cccc(F)n2)c(C)c1C(=O)OC	286671675	WEEIXGWFQTZIKZ-UHFFFAOYSA-N	320.324	1.963	50	20	DDGD	
O=C(CCc1ccc2ccccc2c1O)NNC(=O)NC1CC1	294733003	NNTWLBJXYUUFEF-UHFFFAOYSA-N	313.357	1.971	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H](C)CS(C)(=O)=O)cc1	297168169	JDEDPVTZPOQXDZ-SNVBAGLBSA-N	315.395	1.145	50	20	DDGD	
COCCOCc1ccc(C(=O)NNC(=O)C(C)(C)C)cc1	292322874	AJNUGESPXSAIFV-UHFFFAOYSA-N	308.378	1.657	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1C#N)c1cn(C)c(C)n1	800807327	RUBXVZPDHKCUKL-UHFFFAOYSA-N	311.345	1.519	50	20	DDGD	
Cc1nc2c(cc1C(=O)NNC(=O)C(C)(C)C)c(C)nn2C	298822551	XWMRHRRPUPTUTL-UHFFFAOYSA-N	303.366	1.392	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)COC2CCCC2)cc1	802120285	OBIBDYYPFZJGEJ-UHFFFAOYSA-N	320.393	1.865	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@H]1CCN(c2ccccc2)C1	298702104	YQLUZNKTKPJKNH-CQSZACIVSA-N	318.421	1.889	50	20	DDGD	
COC(=O)c1ccc(CC(=O)NNC(=O)CC2CCCC2)cc1	295274498	OTXJHVVBWVLHAF-UHFFFAOYSA-N	318.373	1.743	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@@H](C)CCC=C(C)C	297637258	BPRNUXMJOPIISD-QWHCGFSZSA-N	315.414	1.503	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)O[C@H](C)c2nncn2C)cc(C#N)n1C	805386413	PLQBPSVMWAWPSQ-CGGVXGFASA-N	324.344	1.545	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2c[nH]cc2C)cc1	801110091	OFWSAKRPYMENCW-UHFFFAOYSA-N	300.318	1.031	50	20	DDGD	
C[C@H]1CCCN([C@@H](C)CNC(=O)NNc2ncncc2F)C1	292810475	WHXBQERDVWTZBA-QWRGUYRKSA-N	310.377	1.362	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1cnc(C)s1	299575207	CCXPKHUTWYVKFS-UHFFFAOYSA-N	319.386	1.854	50	20	DDGD	
CC(C)N(C)C[C@@H](C)NC(=O)NNC(=O)c1ccccc1F	292258973	FOHBGWUDDPAPCL-LLVKDONJSA-N	310.373	1.498	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccoc1CC(N)=O	805380737	HGYYVRGSYFSZRS-UHFFFAOYSA-N	318.289	1.281	50	20	DDGD	
COCCc1ccnc(NC(=O)NNc2ccc(Cl)nn2)c1	806657708	CVAKOHUSMQUXAM-UHFFFAOYSA-N	322.756	1.863	50	20	DDGD	
CCOc1ccc(OCCCC(=O)NNC(=O)N(C)C)cc1	299400071	VGZOUFZWNNGJSF-UHFFFAOYSA-N	309.366	1.547	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)c1cccc(N(C)C)c1)OC	290956792	NDWXDKVKJYNVKJ-CYBMUJFWSA-N	308.382	1.122	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc(N2CCCC2)nc1	295562234	MWDLXNUZAIHMNU-ZDUSSCGKSA-N	318.377	1.012	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2nc3c(s2)CCCC3)n1	814752762	CGFBVLYOCQOPJL-UHFFFAOYSA-N	317.418	1.986	50	20	DDGD	
NC(=O)NC1(C(=O)NNc2cc(Cl)nc(Cl)c2)CC1	819747428	OVCQSENCQUQTKO-UHFFFAOYSA-N	304.137	1.032	50	20	DDGD	
C[C@@](O)(C(=O)NNc1ccc(C(F)(F)F)nn1)C1CCC1	813498219	LMCWQDYNIFZQKQ-NSHDSACASA-N	304.272	1.490	50	20	DDGD	
CC(C)(C)OC(=O)N1[C@H](C(=O)NNC(=O)CC2CC2)C[C@H]2C[C@H]21	819140746	NQCSXELIYIBGLO-UTUOFQBUSA-N	323.393	1.332	50	20	DDGD	
CC[C@H](CS(=O)(=O)NNC(=O)c1cccc(Cl)c1)OC	817348564	NZPMVFSWLMFIHX-LLVKDONJSA-N	320.798	1.329	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1cccc(=O)n1C	816486559	IWPYUYSLRHINBM-UHFFFAOYSA-N	321.768	1.709	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc(N2CCC(O)CC2)cc1	819123416	YCRYQRFYPZDDRU-UHFFFAOYSA-N	317.389	1.209	50	20	DDGD	
NC(=O)NCc1ccc(C(=O)NNc2cccc(Cl)n2)cc1	817005298	NBDKZVXHURGPIH-UHFFFAOYSA-N	319.752	1.660	50	20	DDGD	
CCC[C@@H]1C[C@H]1C(=O)NNC(=O)COc1ccccc1OC	812444907	IOMBKNBSCCJGLA-VXGBXAGGSA-N	306.362	1.658	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCC[C@@H]2C)cc1	819018878	ZAWVXCUVEXJVIT-JSGCOSHPSA-N	317.389	1.907	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1cnn2ccccc12	814951984	GCPQZGQOZZJVAS-UHFFFAOYSA-N	310.313	1.569	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cnc(F)c(Cl)c1	829557347	CWFQKDYAZBQDKD-UHFFFAOYSA-N	301.705	1.062	50	20	DDGD	
O=C(NCC(F)(F)F)NN=Cc1nccn1CC(F)(F)F	727684937	RTFPXELRQNHJDM-UHFFFAOYSA-N	317.193	1.641	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C	495991850	UIDNDSRCZMADOD-ZJUUUORDSA-N	315.370	1.361	50	20	DDGD	
CN(C)C(=O)NNC(=O)CCN(C(=O)OC(C)(C)C)C1CC1	496597520	WVEFNRNAQBKFRW-UHFFFAOYSA-N	314.386	1.078	50	20	DDGD	
COc1ccnc(NNC(=O)CNc2cccc(Cl)c2)n1	729261975	JTGCYKPMBUCJLK-UHFFFAOYSA-N	307.741	1.694	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2nc3c(C)cccc3s2)CCC1	828362044	ASOXSXZMJIWACJ-UHFFFAOYSA-N	318.402	1.964	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)OC(C)(C)C)c1cc[nH]n1	495721754	RFXDGZWYBPEUQB-UHFFFAOYSA-N	309.370	1.555	50	20	DDGD	
CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)NNC(=O)N(C)C	493942970	XPOFHYYQYVUOEH-AWEZNQCLSA-N	316.402	1.230	50	20	DDGD	
C[C@]1(C(=O)NNc2ncc(Cl)cc2Cl)CCNC1=O	822061880	AQBWZDOUXWMOSV-NSHDSACASA-N	303.149	1.358	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@H]1CC[C@H](C)CC1	496704936	ZBJATKBFVOUZIK-XYPYZODXSA-N	313.398	1.485	50	20	DDGD	
O=C(CC1CCN(CC(F)(F)F)CC1)NNc1cccnn1	821857318	RFIYRCYGWUJMIE-UHFFFAOYSA-N	317.315	1.584	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=C1CCO[C@H]1C	496152702	QRSKIFQYPDUUSV-CMPLNLGQSA-N	309.366	1.184	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC[C@H](n2ccnn2)C1	491014230	WQIJUNRFKQRONA-IPJDOKCGSA-N	323.356	1.754	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)Cc2ccccc2O)cc1	728204419	MCBXPZJPFBCYMK-UHFFFAOYSA-N	313.357	1.503	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1ccc2c(c1)OCO2	728939187	ZGBQRQFYTSLDIG-UHFFFAOYSA-N	314.301	1.206	50	20	DDGD	
C#C[C@H](CC)NC(=O)NNC(=O)c1cccc(Br)c1	491621381	GWPLIEURSCMVOJ-LLVKDONJSA-N	324.178	1.805	50	20	DDGD	
CCCN(CC(=O)OCC)C(=O)/C(C#N)=C\c1cnn(C)c1	491134650	SDOCNLMVYCCCRI-QPEQYQDCSA-N	304.350	1.129	50	20	DDGD	
Cc1cccc([C@@H]2CCCN2C(=O)c2cccc(B(O)O)c2)c1C	584952624	XNUKOFBWBUGWAV-SFHVURJKSA-N	323.201	1.961	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCOc3c(F)cccc32)c(F)c1	585036986	QCFSLPYOLKSIPY-OAHLLOKOSA-N	319.116	1.258	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1cccc2c1CCNC2=O	495945086	XTTDYZRYUQNBBJ-UHFFFAOYSA-N	320.349	1.534	50	20	DDGD	
CSCc1c(C(=O)N2CC[C@@H](B(O)O)C2)oc2ccccc12	585074078	IXEIENMWBOBMNI-SNVBAGLBSA-N	319.191	1.985	50	20	DDGD	
O=C(O)C1(C(=O)N2C[C@H]3[C@H](Br)[C@H]3C2)CC=CC1	902741446	RPPLQRAEEBHOJK-BRPSZJMVSA-N	300.152	1.259	50	20	DDGD	
COc1cccc([C@@H]2C[C@H]2CNCc2cccc(B(O)O)c2)c1	585045701	FOYOASSTBBXDQS-YJBOKZPZSA-N	311.190	1.268	50	20	DDGD	
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NN(C)[C@@H](C)CO	823953245	ZURODEXAIJAXRZ-JTQLQIEISA-N	322.796	1.792	50	20	DDGD	
Cc1cccc(CN(C)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	827315402	QOHCBXAOGHOLBP-GXTWGEPZSA-N	305.378	1.593	50	20	DDGD	
O=C(NNC(=O)c1ccsc1Br)NC1CC1	825414607	MBINKEXLZBOVCJ-UHFFFAOYSA-N	304.169	1.617	50	20	DDGD	
Cc1ccc([C@H](O)[C@@H](C)NCc2ccc(B(O)O)cc2F)cc1	585047607	DTKHXTMTKRRZOE-SJKOYZFVSA-N	317.169	1.026	50	20	DDGD	
CCCNC(=O)NN=C1CCN(Cc2ccccn2)C[C@H]1C	734365315	FVTONMNSOLFRHH-CYBMUJFWSA-N	303.410	1.989	50	20	DDGD	
Cc1cnc([C@H](NCc2ccc(B(O)O)cc2)C2CC2)s1	585025295	QKUCVANRBHWENZ-CQSZACIVSA-N	302.208	1.372	50	20	DDGD	
N#CCN1CCC(NC(=O)NNc2c(F)cccc2F)CC1	735759498	DYQOQYVLKZYEQV-UHFFFAOYSA-N	309.320	1.579	50	20	DDGD	
CC[C@@H](CNCc1ccc(B(O)O)cc1F)CC(F)(F)F	585045681	FHQHKBRWSMGWRR-SECBINFHSA-N	307.096	1.574	50	20	DDGD	
CC(F)(F)c1ccc(CNCc2ccc(B(O)O)cc2)cc1	585042522	DJPXDDWQPPHHCW-UHFFFAOYSA-N	305.133	1.768	50	20	DDGD	
C[C@H](NC(=O)c1ccc(B(O)O)cc1)C(C)(C)c1ccccc1	584939981	PPLQJIJFCQAPCH-ZDUSSCGKSA-N	311.190	1.463	50	20	DDGD	
C[C@@H](CNCc1ccc(B(O)O)cc1F)Oc1cccc(F)c1	585027421	SKYFDKUWJFOAFA-NSHDSACASA-N	321.132	1.202	50	20	DDGD	
CC(C)(C)C1=CCN(C(=O)c2cc(B(O)O)ccc2F)CC1	584967502	LCVNFOJYFGZWRO-UHFFFAOYSA-N	305.158	1.324	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccnc(-n2cccn2)c1	739681959	VZXUCJNXPPXONP-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
CCCN(C)CC(=O)NNC(=S)Nc1cccc(C)c1C	730274262	AFLMVCQVATZWEP-UHFFFAOYSA-N	308.451	1.963	50	20	DDGD	
CN1C(=O)CC[C@@H]1C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	833774269	OCCAHTIGRZADGO-SNVBAGLBSA-N	312.713	1.312	50	20	DDGD	
CCOC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)CCl	830306829	JHXCCPAQQDCLAV-UHFFFAOYSA-N	323.773	1.717	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccccc1CCC(=O)OC	900382734	HWRJXYXTHGRHRQ-UHFFFAOYSA-N	321.377	1.536	50	20	DDGD	
C[C@H](c1ccccc1)N1CC[C@@H](NS(=O)(=O)CCl)C1	830160547	DCHPVLPEFYIJCK-DGCLKSJQSA-N	302.827	1.938	50	20	DDGD	
COCCN(C)NC(=O)[C@](C)(O)c1cccc(C(F)(F)F)c1	837623268	IEHWQGLTSAGFRV-CYBMUJFWSA-N	320.311	1.522	50	20	DDGD	
O=C(NCCCCCc1ccccc1)c1ccc(B(O)O)cc1	584938976	FRJSPXQFNQHUTA-UHFFFAOYSA-N	311.190	1.509	50	20	DDGD	
COc1cc(C(=O)NNc2cccnn2)cc2c1OCCO2	736698910	ZRINZWURARRTLQ-UHFFFAOYSA-N	302.290	1.013	50	20	DDGD	
CO[C@H]1Cc2ccc(NC(=O)NNc3ncncc3F)cc2C1	836509741	LFYLDIUUUFSKET-LBPRGKRZSA-N	317.324	1.878	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1	731185094	FIROIDXGICVWGC-CQSZACIVSA-N	317.389	1.342	50	20	DDGD	
COc1cc(/C=C(/C#N)C(=O)NC2CC2)ccc1OCC(=O)O	915848128	UQAQDJDDCOUZRA-WDZFZDKYSA-N	316.313	1.344	50	20	DDGD	
CCCN(CCC)CCCC(=O)NNc1nnc(C)c(O)n1	730585646	ITWQOQIUOMTUJU-UHFFFAOYSA-N	310.402	1.231	50	20	DDGD	
CC(C)(CNS(=O)(=O)CCl)c1ccc2c(c1)OCCO2	830297614	DJZVCOFCTCLZMG-UHFFFAOYSA-N	319.810	1.851	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)C1(Cc2cccc(F)c2)CCOCC1	910143813	CPHUYWCIWFLUID-CYBMUJFWSA-N	324.396	1.509	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)cc1)c1cn(C)nc1C	917542934	ZLQFTQNUCYBSRT-UHFFFAOYSA-N	313.361	1.516	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCCC[C@@H]1CCOC1	836646823	FPTFVCWHCYGSMB-GFCCVEGCSA-N	323.368	1.515	50	20	DDGD	
COCC1(CCNC(=O)NNC(=O)[C@H]2CCCCO2)CCC1	836477102	VFXRUVWSFBZTBN-GFCCVEGCSA-N	313.398	1.093	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NNc1nnc(C)c(O)n1	749186461	NGZRPEMGMOIASD-DTWKUNHWSA-N	305.363	1.502	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@@H](O)C(C)(C)C)c1	843870367	STAJSUUDTADEJF-GFCCVEGCSA-N	308.382	1.630	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H]1CCO[C@H](c2ccccc2)O1	847346383	WDFZNLZAEJQKRR-JSGCOSHPSA-N	306.362	1.684	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccc3c(c2)CCCO3)o1	843818232	MYCOMPNKVIFWBL-UHFFFAOYSA-N	314.341	1.917	50	20	DDGD	
CCC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ncccn1	841577845	HFUAWARLKADZQF-RYUDHWBXSA-N	305.382	1.780	50	20	DDGD	
CCNC(=O)NNC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1	746593401	ZFJCDWGCSSORDZ-VIFPVBQESA-N	321.406	1.707	50	20	DDGD	
CC(C)(O)CCSCC(=O)NNC(=O)c1ccc(F)cc1	848444227	JYRPVTZSUUWMTG-UHFFFAOYSA-N	314.382	1.481	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(OCc2ccncc2)cc1	746006157	SPGXWFIIRMAENK-UHFFFAOYSA-N	314.345	1.577	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1cccc2c(N(C)C)cccc12	848448769	UOXOWTNDZGHPBK-UHFFFAOYSA-N	321.402	1.625	50	20	DDGD	
CC(C)[C@@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1	745025364	HZPDJMQPGMRKCC-LLVKDONJSA-N	317.345	1.155	50	20	DDGD	
O=C(C[C@]1(O)CCCNC1)NNc1ccccc1C(F)(F)F	912448753	VCWSBAWXABRSGW-CYBMUJFWSA-N	317.311	1.653	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1c[nH]c2cccc(F)c12	843979000	LTEJDEZBYQGUQR-RKDXNWHRSA-N	305.309	1.493	50	20	DDGD	
CC[C@@H]1CN(C(=O)/C(C#N)=C/c2cnn(C)c2)[C@H](CC)CO1	846376157	SATAQRMSYMBPNI-KUYFCZACSA-N	302.378	1.743	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)N1CCOCC1)c1ccc(Cl)cc1	845337584	YFIFTBPLICOQIQ-SNVBAGLBSA-N	311.769	1.517	50	20	DDGD	
CCN(CCO)NC(=O)c1c[nH]ccc1=Nc1ccccc1	911444911	WVTVLQCEIUZQTG-UHFFFAOYSA-N	300.362	1.206	50	20	DDGD	
CCC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)[C@H]1CCOC1	741838213	QPGGTKXRPLTHIO-VIFPVBQESA-N	306.322	1.709	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1[C@@H]2CCCO[C@H]2C1(C)C	743434712	YIUZVWPABPMBFA-GZMMTYOYSA-N	308.407	1.955	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1sc(N(C)C)nc1Cl	842558614	SHXCUQBVYLXYOD-JGVFFNPUSA-N	316.814	1.738	50	20	DDGD	
COCC1(C(=O)NNc2ccc(F)cc2OC)CCOCC1	846641422	DXILJHLNHVWBII-UHFFFAOYSA-N	312.341	1.721	50	20	DDGD	
C[S@](=O)Cc1cccc(C(=O)NNC(=O)CC(F)(F)F)c1	918364277	NCPANZNYQGSXPY-NRFANRHFSA-N	322.308	1.279	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CNC(=O)c1cccs1)c1ccco1	741555064	VKHPWKJRWABGFF-SECBINFHSA-N	321.358	1.022	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=S)NC1(C)CCC1	840704250	RNWHUUFZMGOCSM-UHFFFAOYSA-N	322.434	1.545	50	20	DDGD	
Cc1cnc(OC2CCN(S(=O)(=O)CCl)CC2)nc1	848480220	OHJOEPLRIODWGE-UHFFFAOYSA-N	305.787	1.154	50	20	DDGD	
Cc1cc(C(=O)NN(C)C[C@@H](C)O)nn1-c1ccc(F)cc1	910152703	SYNYLYYXLSZSGU-LLVKDONJSA-N	306.341	1.277	50	20	DDGD	
CC(=O)Nc1ccc(C(C)=NNC(=O)[C@@H]2CCO[C@H]2C)cc1	842561526	LCBGTJHCHHFXSB-XHDPSFHLSA-N	303.362	1.910	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccc(Cl)nc2)cc(O)c1O	915979621	WLWCQOTZOCWLSV-UHFFFAOYSA-N	321.720	1.919	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2ccn(CCN(C)C)n2)c1	847602166	AUQYTGHVUPLIHZ-UHFFFAOYSA-N	321.356	1.349	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@@H](C)C1CC1	747905611	GGRQWKHKJFIDGY-NSHDSACASA-N	314.389	1.792	50	20	DDGD	
C[C@@H]1C[C@H]1c1ccc(CCC(=O)NNc2nccn(C)c2=O)o1	747945498	JIHGSXVQNVSYLC-ZYHUDNBSSA-N	316.361	1.573	50	20	DDGD	
CN1CCC[C@@H]1CNC(=O)NNc1cc(F)c(F)c(F)c1	746759098	ZUOGQQQZKBWNGD-SECBINFHSA-N	302.300	1.824	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCC1CCNCC1)c1ccccc1	841924342	YEYRWISUYCOVKE-HNNXBMFYSA-N	318.421	1.510	50	20	DDGD	
Cc1ccc([C@H](C)CNC(=O)NNC(=O)c2ncccn2)cc1	841591770	GGKUPJCKLWGYAC-GFCCVEGCSA-N	313.361	1.533	50	20	DDGD	
CC(C)Oc1ccccc1CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843649594	VVGNCIPYDZIUBC-TZMCWYRMSA-N	320.389	1.589	50	20	DDGD	
CCn1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)n1	843754345	RLYCAGMZSDMYEH-JTQLQIEISA-N	320.324	1.271	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CCc3nnnn3CC2)ccc1Cl	928338369	GONWYQOVLGFBCU-JTQLQIEISA-N	320.784	1.731	50	20	DDGD	
Cc1ncc(S(=O)(=O)NNC(=O)NC2CCCCC2)s1	754741945	UNRVOOHTAUDIMT-UHFFFAOYSA-N	318.424	1.277	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1nnc(C(F)(F)F)s1	929366341	FEEIZOVDTDLWPY-UHFFFAOYSA-N	321.284	1.513	50	20	DDGD	
CO[C@H]1C[C@@H](NC(=O)NNc2ncc(Cl)cn2)C12CCC2	856915594	PYHSGQXSOCLPNY-ZJUUUORDSA-N	311.773	1.714	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)NC1CCCC1)c1ccc(F)cc1	858853552	OGHWBOUMMTVIAJ-ZDUSSCGKSA-N	309.341	1.786	50	20	DDGD	
CC[C@@H](C)CCNC(=O)NNC(=O)[C@H]1COc2ccccc2O1	852492529	SPEITPYLXSRKBP-BXUZGUMPSA-N	321.377	1.593	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1c(F)cc(F)cc1F	756801274	KQUNTNRLUQHSHR-UHFFFAOYSA-N	310.235	1.965	50	20	DDGD	
CS[C@H](C)CC(=O)NNC(=O)c1nnc(O)c2ccccc12	756862405	BZGBEHLVIZBJGB-MRVPVSSYSA-N	320.374	1.238	50	20	DDGD	
C[C@H](CCCCN)NC(=O)NC[C@]1(C)C[C@H]1Br	857103973	PHQAHVUBQLYOEH-FOGDFJRCSA-N	306.248	1.977	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2cnns2)cc1	755335347	DDBANLPDBICOIC-UHFFFAOYSA-N	307.335	1.078	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)c2ccc[nH]2)c(F)c1	756400843	FNTJUIUUEVIGOH-UHFFFAOYSA-N	320.280	1.407	50	20	DDGD	
COc1ccc(CCC(C)=NNC(=O)c2cnccn2)cc1O	754923821	QQQJQMVTTGOQLJ-UHFFFAOYSA-N	314.345	1.929	50	20	DDGD	
C[C@]1(CNC(=O)NC2CCC(N)CC2)C[C@H]1Br	857103188	DLVADPABOWFEMQ-PQFJONNWSA-N	304.232	1.729	50	20	DDGD	
CCOc1cccc(/C=C\C(=O)NNC(=O)NCC2CC2)c1	858782135	PMOAODJPGAYHAJ-HJWRWDBZSA-N	303.362	1.839	50	20	DDGD	
CCCCN(C)C[C@H](C)NC(=O)NNc1ncc(Cl)cn1	856905675	XZSWJJNXJYHXSP-JTQLQIEISA-N	314.821	1.877	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=O)c2cccc(C#N)c2)C1	857856606	MTPKIZJROYWZMZ-QMTHXVAHSA-N	323.356	1.408	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@@H](CO)CC1CC1	855917164	XYXMWEFSYHPWLO-ZDUSSCGKSA-N	313.829	1.877	50	20	DDGD	
Cc1ccc(SCCC(=O)NNC(=O)Cc2cc[nH]n2)cc1	755281566	JDASAMBTIXLMLO-UHFFFAOYSA-N	318.402	1.590	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cccc2nc[nH]c12	854283417	VMSFDMOXBYLDNS-UHFFFAOYSA-N	321.406	1.051	50	20	DDGD	
C[C@]1(CNC(=O)N2CCOC[C@@H]2C2CC2)C[C@H]1Br	856952766	GTQNIXXAKKCNNA-NQBHXWOUSA-N	317.227	1.980	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C	854409855	MVBNXOBRJSXBAN-VIFPVBQESA-N	302.371	1.720	50	20	DDGD	
COc1nccnc1NNC(=O)c1cccc(N2CCCC2)c1	854951643	AOPNFSJGBYRTFL-UHFFFAOYSA-N	313.361	1.842	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	857392542	DUFGUUXBRRUFGF-OUJBWJOFSA-N	317.227	1.535	50	20	DDGD	
O=C(CCC[C@@H](O)c1ccccc1)NNC(=O)c1ccc[nH]1	854278623	ZUXZKVASJLRJMH-CQSZACIVSA-N	301.346	1.680	50	20	DDGD	
Cc1c(NNC(=O)c2noc3c2COCC3)cccc1[N+](=O)[O-]	857859129	CCEDCGXNUDXAOR-UHFFFAOYSA-N	318.289	1.721	50	20	DDGD	
CSCCONC(=O)NNc1ccc([N+](=O)[O-])cc1F	854033298	GLJIZGRWLQZXLO-UHFFFAOYSA-N	304.303	1.655	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCc2cncnc2)c1C	855624206	FGYSQQUQNGBBIT-UHFFFAOYSA-N	314.345	1.648	50	20	DDGD	
CCC1(C(=O)NN(C)C(=S)NCCCOC)CCCC1	854282872	XZIHFXLINXNYEM-UHFFFAOYSA-N	301.456	1.831	50	20	DDGD	
CNC(=S)N(C)NC(=O)COc1ccccc1C(C)(C)C	854927600	CJUOFMBDBOURTH-UHFFFAOYSA-N	309.435	1.830	50	20	DDGD	
Cc1cccc([C@H](CC(=O)NCCCSC#N)NC(N)=O)c1	854362926	HOGVXZIKDZBKFN-ZDUSSCGKSA-N	320.418	1.815	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21	859198885	HXGZJQATCBPIBV-DJIMGWMZSA-N	307.353	1.357	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(-c2n[nH]c(C)n2)ccc1C	756872746	VRWLDBMSMHXRCN-UHFFFAOYSA-N	302.338	1.651	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCc1cnn[nH]1)c1ccccc1	865692850	GUSVDZINVVTIMM-ZDUSSCGKSA-N	301.350	1.079	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)cc[nH]1	862510445	HOQQAWJFCGWBGJ-CYBMUJFWSA-N	304.394	1.292	50	20	DDGD	
O=C(NNc1ccc(F)c(Cl)c1)[C@@H]1CCCCS1(=O)=O	863081697	UOLBBTPZNLVCFJ-NSHDSACASA-N	320.773	1.890	50	20	DDGD	
COc1cc(O)c(C=NNC(=O)c2cccn2C)cc1OC	768356378	XXYMSFQSFHZKPJ-UHFFFAOYSA-N	303.318	1.512	50	20	DDGD	
CC1=C(C(=O)NNc2cc(Cl)nc(N)n2)CCN1C(C)C	935328815	CFJZYAPOFQJMTB-UHFFFAOYSA-N	310.789	1.543	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H](C)n1ccc(C(F)(F)F)n1	865015295	XXQWJLFYCHUSCP-QMMMGPOBSA-N	321.303	1.593	50	20	DDGD	
CC(C)c1nocc1C(=O)NNc1ccc(S(C)(=O)=O)cc1	860314713	AAZRGYWSHLMZQG-UHFFFAOYSA-N	323.374	1.958	50	20	DDGD	
Cc1ccc(S(C)(=O)=O)cc1C(=O)NN[C@H](C)C(F)(F)F	862304631	QPCGDJNSBURUHX-MRVPVSSYSA-N	324.324	1.584	50	20	DDGD	
COc1cccc(COCC(=O)NN=c2cc[nH]c(C)c2)c1	862510350	DJBKEGIOVJLWKQ-UHFFFAOYSA-N	301.346	1.480	50	20	DDGD	
C=C(C)COCCNC(=O)NN=c1sc2ccccc2n1C	762067517	IBWSKMQTTIHDFP-UHFFFAOYSA-N	320.418	1.947	50	20	DDGD	
N#CC1=CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1	767176913	KMLOBKSLISFENY-UHFFFAOYSA-N	324.300	1.471	50	20	DDGD	
Cc1ccccc1NNC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1	863855849	UMPVKFQLBAUDME-LBPRGKRZSA-N	313.361	1.225	50	20	DDGD	
CC(C)n1ncc2cc(NCc3ccccc3B(O)O)ccc21	864028146	JHRBYRURIGRCLQ-UHFFFAOYSA-N	309.178	1.909	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCC(=O)[C@H](C)C2)cc1	763263589	IPRHCCYHTIDRDX-OLZOCXBDSA-N	318.373	1.527	50	20	DDGD	
O=C(COCc1cccnc1)NNCC(F)(F)C(F)(F)F	863099547	MYPLKDIBSDXSED-UHFFFAOYSA-N	313.226	1.417	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CN(C)[C@H]2CCSC2)c1	862478684	MFNVOGYBWCCKPD-JTQLQIEISA-N	313.448	1.255	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CO[C@@H]2CCCC[C@H]2C)n[nH]1	869012072	FIKYKKWWIXDWJK-ZWNOBZJWSA-N	308.382	1.003	50	20	DDGD	
COCCn1cc(NC(=O)NNC(=O)c2cc(C)cs2)cn1	860484375	NIHIPGIJBJMXJM-UHFFFAOYSA-N	323.378	1.366	50	20	DDGD	
C=C[C@H](COC)NC(=O)NNC(=O)Cc1c[nH]c2ccccc12	1116643540	DRMQGQIDJPDSQP-GFCCVEGCSA-N	316.361	1.242	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)CCc1c(F)cccc1F	863399398	HAPTXQWWKUWTAG-UHFFFAOYSA-N	308.306	1.088	50	20	DDGD	
Cc1nnc(NNC(=O)C2CCC(C(F)(F)F)CC2)nc1O	769864263	IRMOTJKJQNYAME-UHFFFAOYSA-N	319.287	1.697	50	20	DDGD	
COC1(C=NNC(=O)COc2ccc(C)c(C)c2)CCOCC1	761750984	ZOTGUDKNPKRMAS-UHFFFAOYSA-N	320.389	1.980	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(-c2ncco2)c1	763438336	RDKLCOHLGMNWRJ-UHFFFAOYSA-N	316.317	1.146	50	20	DDGD	
CN(C)C1(C(=O)NNC(=O)c2ccc3ccccc3n2)CCC1	762964026	IYZIAEJUVHWANY-UHFFFAOYSA-N	312.373	1.480	50	20	DDGD	
CCn1ncc(NC(=O)NN(C)C(=O)OC)c1C(F)(F)F	879464172	CUKTZIUHFGYVRX-UHFFFAOYSA-N	309.248	1.657	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CCn1ccccc1=O	777771577	JIAFAWOKXDPFIH-UHFFFAOYSA-N	315.329	1.168	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)COc2ccccc2F)c(C)c1	779867143	QDIJBNXGFQQZDH-UHFFFAOYSA-N	317.320	1.678	50	20	DDGD	
COC/C(C)=C\C(=O)NNC(=S)Nc1ccc(OC)nc1	874955616	SXCOVRFUABOJRH-TWGQIWQCSA-N	310.379	1.001	50	20	DDGD	
NC(=O)N[C@@H](CC(=O)NNc1ccccn1)c1cccs1	777473827	QMPLMTLCLFTEKY-VIFPVBQESA-N	305.363	1.386	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)C1CCS(=O)(=O)CC1	771713908	YSZFOWVYAPMVFA-UHFFFAOYSA-N	300.355	1.402	50	20	DDGD	
O=C(O)COCCNC(=O)NNc1ccc(Cl)cc1Cl	874409231	WYKJXRZUNMZSPO-UHFFFAOYSA-N	322.148	1.721	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cc2c([nH]1)CCCC2	872336650	JDVFGLSRRKKFIZ-ZDUSSCGKSA-N	318.421	1.312	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)c3cccnn3)cc2C1	1119282755	JLFFBOXLWZFNJE-VIFPVBQESA-N	316.386	1.738	50	20	DDGD	
O=C1C[C@@H](C(F)(F)F)[C@H](C(=O)NNc2ccc(F)cc2)CN1	873925567	SWHJKFZAQJCERL-NXEZZACHSA-N	319.258	1.583	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1cc(Cl)cc2cccnc12	775474880	CZWZZTCSVHDJTH-UHFFFAOYSA-N	321.768	1.603	50	20	DDGD	
O=C(NNc1ncccn1)c1c[nH]c2c(F)cc(F)cc2c1=O	776327423	IYKZTKQBBMLKKP-UHFFFAOYSA-N	317.255	1.353	50	20	DDGD	
C=CCOc1cccnc1C(=O)NNC(=O)NCc1ccco1	775529623	UHKOGTAKZBCCQP-UHFFFAOYSA-N	316.317	1.384	50	20	DDGD	
CC[C@H](C)n1nc(C(=O)NNc2ccnc(N(C)C)n2)cc1C	778506564	PPOFTSOYRNAJLT-JTQLQIEISA-N	317.397	1.775	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccn(Cc2ccccc2)n1	772895294	FSXITVVVTNIROH-UHFFFAOYSA-N	324.344	1.038	50	20	DDGD	
COc1ccc([C@H](C)N[C@H](C)C(=O)NNC(=O)CC(C)C)cc1	774850352	PIYUNWQWKAUZOE-QWHCGFSZSA-N	321.421	1.928	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C2CCOCC2)c1	883059278	RIFRSKMGJUVHCT-LBPRGKRZSA-N	306.362	1.336	50	20	DDGD	
CO[C@H](C(=O)NNc1ccc(Br)nc1)C(C)C	771736210	YZZHDNDKWHWUPR-JTQLQIEISA-N	302.172	1.958	50	20	DDGD	
C[C@@]1(C(=O)N2CCO[C@@H]3COCC[C@@H]32)C[C@H]1Br	888783016	HOIYMZCURRHQTO-BTQIBKBOSA-N	304.184	1.176	50	20	DDGD	
O=C(CSc1ccc(F)cc1)NNC(=O)C1CCOCC1	883059485	ZBTYAUBNILBCPI-UHFFFAOYSA-N	312.366	1.492	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)NCC(C)(C)C#N)c1	781954121	QTGVOUGZBYEPCU-UHFFFAOYSA-N	320.349	1.198	50	20	DDGD	
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NNc1ccc(C#N)cn1	888559581	OXQULLHJZHOWRA-ZWNOBZJWSA-N	300.366	1.062	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNC(=O)C(C)C)ccc1Cl	782552430	JFOGZYWXOAYDTR-UHFFFAOYSA-N	313.741	1.935	50	20	DDGD	
C[C@@H]1CN(C2CCC2)CCN(S(=O)(=O)CCCCl)C1	882218489	LXSQDNJCQHFBKR-GFCCVEGCSA-N	308.875	1.751	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCC(=NNC(=O)Cc2cccnc2)C1	788427158	HBWWDYRDMBRHSS-ZDUSSCGKSA-N	309.391	1.084	50	20	DDGD	
C[C@@H]1CCC[C@H](C(=O)NNc2ccc(-n3ccnc3)nn2)C1	788177009	FYQGWPDXVVPLHT-NEPJUHHUSA-N	300.366	1.932	50	20	DDGD	
CCc1noc(COCC(=O)NNc2ccc(Cl)cc2)n1	896970934	XHRBRHATUDRKOU-UHFFFAOYSA-N	310.741	1.945	50	20	DDGD	
C[C@H]1CC[C@@H](NC(=O)NNC(=O)c2ccc3c(c2)OCCO3)C1	780800447	RJDJUUKDAVSVCD-CMPLNLGQSA-N	319.361	1.590	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-]	786671762	WNHZMPBRSABVBX-XFFZJAGNSA-N	315.285	1.936	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)c3cccn32)cc1	788743172	UAQLHDSUILJJEH-CQSZACIVSA-N	322.324	1.339	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C(C)c2nccnc2C)c1	783512273	YGHIUEQFXHQQFH-UHFFFAOYSA-N	314.345	1.956	50	20	DDGD	
O=C(NN=Cc1cnn(Cc2ccc(F)cc2)c1)c1cnccn1	780209688	KWEPHBXYFXOQLG-UHFFFAOYSA-N	324.319	1.624	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccccc1CC(C)C	791746530	JZAXCTXCNKJVTA-LBPRGKRZSA-N	320.389	1.988	50	20	DDGD	
CO[C@H](C(=O)NNc1nccc2sccc12)c1cnn(C)c1	799100226	PAEWXADLZJZROP-LBPRGKRZSA-N	317.374	1.861	50	20	DDGD	
CCC[C@H](CC)S(=O)(=O)NNC(=O)c1ccccc1O	798247111	PBIGCOGCWSCKPG-JTQLQIEISA-N	300.380	1.535	50	20	DDGD	
CNC(=O)NN=Cc1c(Br)n[nH]c1Br	792988828	ZRNWNGMHISDKRF-UHFFFAOYSA-N	324.964	1.198	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2ccc(-n3ccnc3)cc2)CC1	790175537	GUMNQMOGADWEAM-UHFFFAOYSA-N	312.377	1.163	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(S)n1)c1ccnc(F)c1	794889787	WMMMFGISADMPSV-UHFFFAOYSA-N	321.337	1.088	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)C(C)(C)c2ccccc2)cn1	796297164	WPFDFKFFUALKJM-UHFFFAOYSA-N	312.373	1.862	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cccc2ccccc12)C(=O)OC	790662942	QZDRNYRBHOMIKX-LBPRGKRZSA-N	314.341	1.800	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C1CCC(C(F)F)CC1	799484211	YMWFPLSBPBDCHV-UHFFFAOYSA-N	324.331	1.739	50	20	DDGD	
C[C@H]1CCC[C@@H]1CNC(=O)NNC(=O)COc1ccccc1O	798511448	OGQSBZSQPGAFRT-NWDGAFQWSA-N	321.377	1.538	50	20	DDGD	
CCn1nc(/C=C(\C#N)S(=O)(=O)N(C)C)c2ccccc21	794958913	WDQOCBJPOWDIJO-PKNBQFBNSA-N	304.375	1.812	50	20	DDGD	
Cn1nncc1C(=O)NNc1ccc(F)cc1Br	798981905	WGLIGMUZIXHVEY-UHFFFAOYSA-N	314.118	1.474	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)N[C@@H]1C=CCCC1	1319253625	LJTJVECZGJODFB-LLVKDONJSA-N	307.325	1.644	50	20	DDGD	
Cc1nn(CC(=O)NNC(=S)NC(C)C)c(C)c1Cl	1317980143	UXEJNJHYQKFXNY-UHFFFAOYSA-N	303.819	1.057	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc(OCC#N)cc2)n[nH]1	1325337741	DMENPMFQHTVZDH-UHFFFAOYSA-N	314.305	1.087	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1	1325313043	LYWSVUKLWZWLRA-VHDGCEQUSA-N	322.453	1.675	50	20	DDGD	
O=C(NNc1ncncc1F)c1cncc(OCC(F)F)c1	1325043138	SPGZHGBVTOJADR-UHFFFAOYSA-N	313.239	1.412	50	20	DDGD	
O=C(NNC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)[C@H]1CCCCO1	1328012934	GFXJCGWZFNQYLD-ZBVBZRCCSA-N	322.405	1.034	50	20	DDGD	
O=C(NC/C=C/C1CC1)NNC(=O)c1cccc([N+](=O)[O-])c1	1325007512	IZFGCEHKYNDYHX-NSCUHMNNSA-N	304.306	1.505	50	20	DDGD	
CN(CC(F)F)c1nnnn1C[C@]1(C)C[C@@H]1Br	1334618813	YFTDUHJJTMSBQV-RCOVLWMOSA-N	310.146	1.548	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NCCOCC(F)F)nn1	1338828726	ONLLLCOCRKMWGW-UHFFFAOYSA-N	317.340	1.682	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)CCN2CCC(C)CC2)[nH]1	1252511698	XEEIIKANWCKUHP-UHFFFAOYSA-N	320.393	1.373	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cnc(C(F)(F)F)nc1	1333054562	YDIVVMKIHYHBCW-UHFFFAOYSA-N	305.260	1.694	50	20	DDGD	
COc1ccc(C=NNC(=O)C2CCOCC2)c(OC)c1OC	1333215363	OERWNMXZJSCTKQ-UHFFFAOYSA-N	322.361	1.589	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cc1c[nH]c2cnccc12)C1CC1	1330817903	PVLAFMLJGBNIQR-VIFPVBQESA-N	317.418	1.399	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1Cc2ccccc2C2(CCC2)C1	1335689551	FRNRVYHQMBSBKC-UHFFFAOYSA-N	321.185	1.444	50	20	DDGD	
CCOc1ccc(N2CCN(S(=O)(=O)CCl)CC2)cc1	1260933088	DFIIIEXNOGWTHY-UHFFFAOYSA-N	318.826	1.733	50	20	DDGD	
CCN(CC)C(=O)c1ccc(C(=O)NNc2cnnn2C)cc1	1261773171	UWHFWFHTLLJZKF-UHFFFAOYSA-N	316.365	1.054	50	20	DDGD	
Cn1cc(C[C@@H](CO)CNC(=O)c2cccc(CCl)c2)cn1	1262624067	WDQJPFISXGKLEY-CQSZACIVSA-N	321.808	1.740	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2CCCC[C@@H]2CN)cc1	1261377042	GNSKTPCULDBASQ-OCCSQVGLSA-N	320.393	1.157	50	20	DDGD	
C[C@@H](NNC(=O)[C@H]1CCCN(CC(F)F)C1)C(F)(F)F	1351998044	FBMOOJVIOXZSMK-SFYZADRCSA-N	303.275	1.535	50	20	DDGD	
N#CCN(CCC(=O)O)C(=O)/C(C#N)=C/c1ccc(F)cc1	1608184213	RYULFRZWCSFVFM-FMIVXFBMSA-N	301.277	1.560	50	20	DDGD	
O=C(/C=C\c1ccc(C(=O)O)o1)NN=c1cc[nH]c2cccnc12	1601235910	IAEIDHXGRZXGBS-XQRVVYSFSA-N	324.296	1.499	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CCCN2C2CC2)c(F)c1	1602385448	VTPJJYQSAGYYRD-ZDUSSCGKSA-N	307.325	1.594	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2ccc(CC(=O)O)cc2)C[C@@H](C)O1	1604675336	DSUHUQQOBJRCRU-GNXNZQSNSA-N	321.377	1.896	50	20	DDGD	
C[C@H](OC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)C(=O)C(=O)O	1604393337	IQAUXQXAQTZVTN-GLTNYXDESA-N	319.151	1.526	50	20	DDGD	
O=C(CCCn1cncn1)NNc1ccc(F)c(C(=O)O)c1	1608309280	LPFMXJHKLWBFNF-UHFFFAOYSA-N	307.285	1.039	50	20	DDGD	
O=C(O)[C@H]1CC[C@H](C(=O)NN=c2cc[nH]c3ccccc23)CC1	1602213469	YTIOGAZZIJAYAS-HAQNSBGRSA-N	313.357	1.991	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1cccc(C(=O)O)c1F)[C@@H]1CCCO1	1602674292	ONKOVHXHBBXQQS-PWSUYJOCSA-N	321.308	1.331	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CCn3cncc3C2)c(F)c1	1610835744	SFZJNJSBMFHPLM-SECBINFHSA-N	318.308	1.426	50	20	DDGD	
Cc1nn(C)c(C)c1[C@H](C)C(=O)NNc1ccc(C(=O)O)cn1	1610568323	DUACYDSZZIGZKL-QMMMGPOBSA-N	317.349	1.377	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@@H]1C(=O)NN=Cc1ccco1	1549309118	LABZVBWOXTYBLU-STQMWFEESA-N	302.334	1.631	50	20	DDGD	
Cc1coc(C=NNC(=O)[C@H]2CCCO[C@@H]2c2ccnn2C)c1	1550191892	IXQHNPZYEDZNFO-ZFWWWQNUSA-N	316.361	1.940	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@@H]1CN[C@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C	1550634797	XJYAOWPAQXNBKZ-OLZGDFGGSA-N	322.840	1.687	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2ccccc2)o1	1589775189	BRMIWHIPEYVTEQ-UHFFFAOYSA-N	313.321	1.735	50	20	DDGD	
C#CCN1CCC(C(=O)NNc2ccc(C)c(C(=O)O)c2)CC1	1588471132	AFDIWUUUMBBYKO-UHFFFAOYSA-N	315.373	1.482	50	20	DDGD	
COc1cccc([C@@H](O)C(=O)NNc2ccccc2C(=O)O)c1	1599660136	QZPAZJAFFKBIJO-CQSZACIVSA-N	316.313	1.570	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)C1CC(=O)C1)C2	1845168791	ZQUJKAIUQJLTIE-GFCCVEGCSA-N	312.797	1.186	50	20	DDGD	
C[C@@H]1CCC[C@]1(C)C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1590248851	PSLIBYKHTUTOOX-OTYXRUKQSA-N	301.354	1.531	50	20	DDGD	
O=C(NC[C@@H]1CCC=CO1)NNc1cccc(-c2nn[nH]n2)c1	1593033649	KDOIPUUEBMRTJN-LBPRGKRZSA-N	315.337	1.186	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1cccc(C(=O)O)c1	1599896559	OKTRVMOOYNJTKE-VIFPVBQESA-N	323.349	1.741	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)c1F	1593899354	ZVWNGBZYHYLABH-DTWKUNHWSA-N	324.308	1.556	50	20	DDGD	
CC(C)OCCCNC(=O)/C(C#N)=C\c1ccc(C(=O)O)nc1	1776351912	YZSRRUIIAAKJTB-JYRVWZFOSA-N	317.345	1.618	50	20	DDGD	
Nc1ccc(C(=O)NN=Cc2cccc(F)c2C(=O)O)cc1	1776014876	KJXGLULPMJLXSA-UHFFFAOYSA-N	301.277	1.870	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)Cc2c(C)nc(C)[nH]c2=O)c1	150785452	QGLWYGYESFHQSH-UHFFFAOYSA-N	304.325	1.520	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)CCCn2cccc2)c1	158629879	QHAINCRDENJXMY-UHFFFAOYSA-N	314.389	1.796	50	20	DDGD	
CSCCc1ccc(NC(=O)NNC(=O)CN(C)C)cc1	155988498	CVMHOUJRAOIRDO-UHFFFAOYSA-N	310.423	1.306	50	20	DDGD	
C[C@H](O)CCN(C)S(=O)(=O)c1ccc(CCCl)cc1	159009498	KIKGGLAAJSPKRQ-NSHDSACASA-N	305.827	1.859	50	20	DDGD	
CC#CC[C@H](CO)NS(=O)(=O)c1ccc(CCl)cc1	717768906	ANWDFTCDKCJFQB-GFCCVEGCSA-N	301.795	1.478	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NOCc1ccccc1	10573687	IBYNTMLAVXYCNQ-UHFFFAOYSA-N	317.320	1.830	50	20	DDGD	
CCOc1ccc(CCC(=O)NNC(=O)[C@@H]2CCCO2)cc1	55994698	RKHJHUOSHJQYIZ-AWEZNQCLSA-N	306.362	1.344	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(OC)ccc1Br	56377040	MAUDIBGCPJZIOY-UHFFFAOYSA-N	302.128	1.032	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)[C@H]1COc2ccccc2O1)C1CC1	54871212	IZYLTHLGLSTANF-QSYFUGGGSA-N	302.330	1.330	50	20	DDGD	
O=C(NNc1ncccc1Cl)c1cnc2sccn2c1=O	114884608	BNKPJMFWWPRHTC-UHFFFAOYSA-N	321.749	1.561	50	20	DDGD	
CCNC(=O)CCCC(=O)NNC(=O)c1cc2ccccc2o1	177755372	MENFTTXEFVHMEI-UHFFFAOYSA-N	317.345	1.500	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2c(F)cccc2F)c1	103402589	ZAVDFDXEVWTGSQ-UHFFFAOYSA-N	301.252	1.911	50	20	DDGD	
O=C(CCc1ccco1)NNC(=O)Cc1cn2ccccc2n1	102639133	JYPKLDVAPOSZME-UHFFFAOYSA-N	312.329	1.250	50	20	DDGD	
COCc1cccc(S(=O)(=O)NNC(=O)c2ccccc2)c1	171329399	IHDSETKGGMWBJG-UHFFFAOYSA-N	320.370	1.456	50	20	DDGD	
O=C(CN1CCc2ccccc2CC1)NNC(=O)c1ccccc1	116301764	RAPIZYGOOYRAEK-UHFFFAOYSA-N	323.396	1.548	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(NC(=O)C2CC2)nc1	66813699	LLFKTNIFTKJUNY-FLIBITNWSA-N	300.318	1.813	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)c2ccc(Cl)nc2)n(C)n1	174102847	AEKLINNXSYOROR-UHFFFAOYSA-N	321.768	1.667	50	20	DDGD	
CCCOc1ccc(S(=O)(=O)NNC(=O)CC(C)C)cc1	29047139	JOPCUWHCUWKXPI-UHFFFAOYSA-N	314.407	1.831	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2CC[C@@H]3C[C@H](C)CN3C2)n1	1346610816	AKJNQEWOQQDTHN-CYZMBNFOSA-N	319.409	1.357	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)nn1C	174009274	LTCQCZHJUKEVIT-UHFFFAOYSA-N	318.352	1.686	50	20	DDGD	
Cc1ccc(CC(=O)NNc2nc3ccccc3c(=O)n2C)cn1	113188313	AGZKINRHPIWGOR-UHFFFAOYSA-N	323.356	1.323	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCc2nc(C(C)C)no2)n1	174476233	PQMMELBLHYZDMO-UHFFFAOYSA-N	320.353	1.376	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2ccc(C#N)cc2)CCS1	170880808	PBEHXCMDSFNMBR-SNVBAGLBSA-N	304.375	1.350	50	20	DDGD	
CCC[C@H](C)C(=O)NNC(=O)Cc1nc2ccccc2n1C	112852635	MSWXMWLNXSBPQB-NSHDSACASA-N	302.378	1.699	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@@H]1CSc2ccccc21	175803239	OMLPPZSXUFTNGP-CYBMUJFWSA-N	313.382	1.661	50	20	DDGD	
C[C@@H]1CCCN(CC(=O)NNC(=O)c2ccc(F)cc2)CC1	68837834	NRCAHRQRJBDKTA-GFCCVEGCSA-N	307.369	1.709	50	20	DDGD	
COC(=O)N1CC(NC(=O)NNc2cc(F)c(F)c(F)c2)C1	178748921	BHOOYSOUZQGLQZ-UHFFFAOYSA-N	318.255	1.181	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NC[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1	171230323	CPCBEIAVSPHTQW-YUELXQCFSA-N	312.373	1.938	50	20	DDGD	
N#Cc1ccc(CCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1	129138705	ADADDARDLJGHOU-UHFFFAOYSA-N	318.336	1.824	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1nc(C(C)C)cs1	121750447	JRDFWZFRKSUDOT-UHFFFAOYSA-N	300.384	1.133	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1cnn(C)c1C	120850222	DQLRFDIZIKZCDY-UHFFFAOYSA-N	322.752	1.465	50	20	DDGD	
CCC[C@@H]1C[C@@H](C(=O)NNC(=O)Cc2ccncc2)CCO1	180352200	OIJAZEJRLGEATB-UONOGXRCSA-N	305.378	1.367	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCc2ccccc2O)oc1C	123469265	SPYSOEBISLDSEF-UHFFFAOYSA-N	302.330	1.996	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNC(=O)COc1ccc(C#N)cc1	188896905	KTONWOXFASLFBJ-UHFFFAOYSA-N	312.329	1.045	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccnc(OCC(F)F)c1	124197071	OVFHOUJQCULCOX-UHFFFAOYSA-N	324.287	1.139	50	20	DDGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CCC[C@H](O)C1	37507459	QPKXQAHLMYQAQO-LBPRGKRZSA-N	303.811	1.613	50	20	DDGD	
CSCCCCCCNC(=O)NNC(=O)c1cnn(C)c1	183273408	TZPZMMGMOGTAIW-UHFFFAOYSA-N	313.427	1.288	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(C3CC3)[nH]c(=O)c2)o1	186052833	FTGAXVDKVYAANT-UHFFFAOYSA-N	301.302	1.229	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@H]1CCCCNC1=O	182132543	VZALPQUFFFTBEE-TZIYXEQSSA-N	301.321	1.518	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1cc(C(N)=O)ccc1F	184398899	HPAKRGDBWHNUPF-UHFFFAOYSA-N	310.329	1.514	50	20	DDGD	
C[C@H](CBr)CN(CCO)CCOCC(F)(F)F	133780854	XOECNXHVBWINDQ-SECBINFHSA-N	322.165	1.891	50	20	DDGD	
C[C@H](C(=O)NNc1ccccc1C(F)(F)F)S(C)(=O)=O	45080413	KGQPREZNVMCQDV-SSDOTTSWSA-N	310.297	1.582	50	20	DDGD	
C[C@H]1CCC[C@@H]1CC(=O)NNC(=O)COc1ccc(C#N)cc1	184605698	ZJNRFFHXSYMZBI-GXTWGEPZSA-N	315.373	1.911	50	20	DDGD	
COCCCN(C)CCNC(=O)/C(C#N)=C\c1ccc(O)cc1	185733975	VNLOPPCOSAMNDR-QINSGFPZSA-N	317.389	1.384	50	20	DDGD	
CCCCOCC(=O)NNc1nnc(-c2ccccn2)s1	188217493	BWCIHHNRVVBZIA-UHFFFAOYSA-N	307.379	1.860	50	20	DDGD	
CS[C@@H]1CCCC[C@H]1NS(=O)(=O)CBr	227980009	BSVSFPCIFOFXBJ-HTQZYQBOSA-N	302.259	1.932	50	20	DDGD	
CC(=O)Nc1ccc(Cl)c(C(=O)NNC(=O)c2ccc[nH]2)c1	133143549	APMZFFIBRNZKBF-UHFFFAOYSA-N	320.736	1.701	50	20	DDGD	
N#Cc1cccc(NNC(=O)NCCC(=O)N2CCCCC2)c1	46234082	AZKUCDRZMOEBPR-UHFFFAOYSA-N	315.377	1.587	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2cc(C)ccc2F)n(C)n1	190473623	XUJFDXWADLNNEZ-UHFFFAOYSA-N	319.340	1.512	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NNC(=O)c1ccc(Cl)cc1OC	192849813	GKNKOUFOPCHUPQ-JQWIXIFHSA-N	312.753	1.535	50	20	DDGD	
C[C@@H](CNC(=O)NNc1nc2ccccn2n1)CN1CCCC1	191311080	AABVPUPGQMPRCE-LBPRGKRZSA-N	317.397	1.087	50	20	DDGD	
O=C(NNC(=O)c1c[nH]nc1-c1ccccc1)c1ccncc1	194726467	DFQBEGKJVAKQSF-UHFFFAOYSA-N	307.313	1.547	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)[C@@H]1C[C@@H]1C1CC1	90509268	LQFPUWVHLMPSAV-VXGBXAGGSA-N	320.414	1.981	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)n1	268483184	PIBCDPMGMPNKBY-UTUOFQBUSA-N	321.381	1.377	50	20	DDGD	
CN(C)C(=O)CCCNC(=O)NNc1ncnc2ccsc12	268803741	BIOKGUFGWRKPJO-UHFFFAOYSA-N	322.394	1.186	50	20	DDGD	
CN(C)C/C=C/C(=O)NNC(=O)c1cc2c(s1)CCCCC2	265635319	OKLHIMBOGWFZGE-RMKNXTFCSA-N	321.446	1.896	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CCCNC(=O)C1CC1	263673815	FUVYWZAVWWQKOV-UHFFFAOYSA-N	322.317	1.815	50	20	DDGD	
Cc1c(NNC(=O)CCCNC(=O)C2CC2)cccc1[N+](=O)[O-]	269630107	WPPSDHXJPPTELE-UHFFFAOYSA-N	320.349	1.653	50	20	DDGD	
Cc1nc(C(C)(C)C)sc1C(=O)NNc1nccn(C)c1=O	267269441	ZBYNLOBAWHLQEC-UHFFFAOYSA-N	321.406	1.600	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)N[C@H]2CCSC2)c1	266851201	ZHXOTYFTSHCKPQ-LBPRGKRZSA-N	323.418	1.518	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1ccc(O)cc1O	365023288	VDCWDMNZLFUUGY-UHFFFAOYSA-N	313.273	1.300	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccc(N2CCOC2=O)cc1	273531141	ZJWPHAJLNXJAOJ-UHFFFAOYSA-N	318.333	1.596	50	20	DDGD	
O=S(=O)(CBr)N[C@@H](CCCO)c1ccccc1	272866475	YMXLXUHUHUMTOA-NSHDSACASA-N	322.224	1.772	50	20	DDGD	
CCOC(=O)C[C@@H](C)CNC(=O)NNc1nc(C)cc(C)n1	270431743	DQIRGMHVSZDSIU-SECBINFHSA-N	309.370	1.309	50	20	DDGD	
COc1ccc2c(c1)[C@@H](C(=O)NNC(=O)c1cccn1C)CC2	277404930	OJISAPWOWZBLPC-ZDUSSCGKSA-N	313.357	1.525	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1nnn(CC2CCCC2)c1C	278887270	DUPJRDRFDPTEKQ-UHFFFAOYSA-N	322.438	1.072	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNc1cc(Cl)nc(C)n1	274267983	WORCHNKMKYZCBY-UHFFFAOYSA-N	306.757	1.856	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(CCN2CCCCC2)cc1	274208681	UXVXEPBXOAWBKH-UHFFFAOYSA-N	304.394	1.888	50	20	DDGD	
CC(C)Cn1ncc(C(=O)NNC(=O)C2CCC2)c1C1CC1	271051966	ATMAJXPHNIHGLE-UHFFFAOYSA-N	304.394	1.978	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)CC(C)C)cc1C	273421914	SFPOKZJSHPOXLB-UHFFFAOYSA-N	307.350	1.980	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](CC(C)C)NC(C)=O)c1	273080258	MGTSRBRRXDRKCN-AWEZNQCLSA-N	321.377	1.467	50	20	DDGD	
O=C1CCCC[C@@H](C(=O)NNc2ccc3c(O)nccc3c2)N1	285774895	SDGNMJHWHWYRKI-ZDUSSCGKSA-N	314.345	1.442	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NNc1nc(C)cc(OC)n1	281727573	FRCMAJKCDKPRRP-YPMHNXCESA-N	321.381	1.401	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)n1	280793963	GTADWKUDFRQMRX-GOEBONIOSA-N	324.384	1.965	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)Nc1cc(F)cc(F)c1	802002576	SQTBVOPRQPHMBO-QMMMGPOBSA-N	301.293	1.790	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	294177448	JIVOKHWGALTVKQ-FZMZJTMJSA-N	306.362	1.343	50	20	DDGD	
Cc1cc(OCC(=O)NNc2ccc3c(=O)[nH]ccc3c2)no1	803438525	SPDCKIRGARAFHN-UHFFFAOYSA-N	314.301	1.347	50	20	DDGD	
CCOC1(CNC(=O)NNC(=O)c2ccccc2)CCCC1	297410404	IRUSAGAEGFDODQ-UHFFFAOYSA-N	305.378	1.980	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NC[C@@H]1C[C@H]1C	298775866	ZFSCFIXZCRAWHR-VWYCJHECSA-N	309.341	1.579	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNc1ccc(-n2ccnc2)nn1	804957935	XZYXAWHFGGBSRH-GXFFZTMASA-N	304.354	1.167	50	20	DDGD	
COc1ccccc1[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCCO1	291688990	OAMYGPZQAAKMMH-MFKMUULPSA-N	307.350	1.266	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CC[C@]2(CCN(C)C2)C1	292440671	MOJRYLPLYFLISB-KRWDZBQOSA-N	316.405	1.377	50	20	DDGD	
Cc1ccccc1-n1cc(/C=C(/C#N)C(N)=C(C#N)C#N)nn1	806570175	RWLHDUGKHNNSHT-SDQBBNPISA-N	301.313	1.743	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCN(C)CCCOC)cc1	297165733	IYMPQBIJXJVENX-UHFFFAOYSA-N	324.425	1.680	50	20	DDGD	
CC(C)NC(=O)Nc1cccc(C(=O)NNC(=O)N(C)C)c1	299359103	IIXBIPLELJOPOE-UHFFFAOYSA-N	307.354	1.133	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNc1ncc(F)cc1F	297085649	XYPQJDZXPHPGGS-UHFFFAOYSA-N	300.309	1.499	50	20	DDGD	
CC(C)(C)c1ncsc1C(=O)NNC(=O)[C@H]1CCCCO1	295642720	UFXPQWYNLOPVKD-SECBINFHSA-N	311.407	1.771	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1csc2ccccc12	299238494	PQLFXIAIZJASFO-UHFFFAOYSA-N	321.402	1.811	50	20	DDGD	
COc1ccnc(NNC(=O)NCCOC2CCCCC2)n1	298975796	OQBBPRJRMYFSHX-UHFFFAOYSA-N	309.370	1.461	50	20	DDGD	
COC(=O)[C@@H](C)Sc1ccccc1C(=O)NNC(=O)C1CC1	298787084	QLLMGZZBDGDKGH-SECBINFHSA-N	322.386	1.511	50	20	DDGD	
Cc1ccc2c(c1)CC[C@@H](C(=O)NNC(=O)[C@H]1CCCCO1)O2	295558375	MNVPHWOGVONIJS-CABCVRRESA-N	318.373	1.405	50	20	DDGD	
Cc1nn(C)c(C(=O)NNC(=O)Nc2ccccc2)c1[N+](=O)[O-]	801993424	VFKPUWPLEJJIGM-UHFFFAOYSA-N	318.293	1.103	50	20	DDGD	
COc1nccnc1NNC(=O)c1cn(C)nc1C1CCC1	819928520	LGCFAIWPGBKENI-UHFFFAOYSA-N	302.338	1.243	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@]2(C)CC2(F)F)c(C)c1	817708673	BHKRXHPDFDPFRB-CQSZACIVSA-N	311.332	1.908	50	20	DDGD	
O=C(Cc1ncc[nH]1)NNC(=O)c1cc2c(s1)CCCCC2	816829276	IRWCJWVODRBMFR-UHFFFAOYSA-N	318.402	1.744	50	20	DDGD	
Cc1ccc(NC(=O)NNc2ncncc2F)c(N(C)C)n1	814678184	RAMUEPZSHVMUPJ-UHFFFAOYSA-N	305.317	1.534	50	20	DDGD	
O=C(NN=C1CCOc2c(Cl)cccc21)N1CCOCC1	814821160	MOEKNWJVLBWEQK-UHFFFAOYSA-N	309.753	1.868	50	20	DDGD	
Cc1noc(C2CCC(=NNC(=O)Cc3cc[nH]n3)CC2)n1	814956297	QUFFPOZRYCPUNL-UHFFFAOYSA-N	302.338	1.474	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F	819508207	LZVKALOOGTYAKC-QLEHZGMVSA-N	322.327	1.519	50	20	DDGD	
N#CSCCCNC(=O)CNC(=O)c1ccc(F)cc1F	816539276	ZCBHGKXPBJZCEJ-UHFFFAOYSA-N	313.329	1.415	50	20	DDGD	
C[C@H]1C(=NNC(=O)CNC(=O)c2ccco2)CC[C@H]1CC(=O)O	814826637	DUCVMBXJDNXQRY-ZJUUUORDSA-N	321.333	1.002	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1ccc(CN(C)C)cc1	814824812	LMYKRDDPCFZGFV-UHFFFAOYSA-N	316.405	1.211	50	20	DDGD	
CS(=O)(=O)c1ccc(C(=O)NNC(=O)C2CCCC2)s1	817427571	OSCYIKUFPCQKCB-UHFFFAOYSA-N	316.404	1.103	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NN=C3COCCOC3)n[nH]2)cc1	814804711	BVAQLFOSEPLFDY-UHFFFAOYSA-N	314.345	1.518	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C2(F)CCCCC2)cc1	810006938	BYJCGHDUVBHGKO-UHFFFAOYSA-N	323.368	1.927	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCC1(CC(N)=O)CC1	817623215	DPZMABAKHUSBKW-SECBINFHSA-N	305.216	1.568	50	20	DDGD	
Cn1nncc1NNC(=O)c1cc(-c2ccc(F)cc2)on1	816771747	ZFRHTKRFQXWDKC-UHFFFAOYSA-N	302.269	1.366	50	20	DDGD	
N#Cc1cccc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])n1	810709608	FEMJTBCTLWMXDO-UHFFFAOYSA-N	301.237	1.757	50	20	DDGD	
CCN(CCOc1ccccc1C)CC(=O)NNC(=O)C(C)C	817286690	AAGOTSXQLRLKCD-UHFFFAOYSA-N	321.421	1.499	50	20	DDGD	
N#CCCC[C@H](N)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	818066151	SFRASXCWFXQOOA-VIFPVBQESA-N	311.729	1.712	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1O)c1cc(C)nn1C	814952439	ZTMFWHRDLHZKFY-UHFFFAOYSA-N	302.334	1.353	50	20	DDGD	
CCC(=O)N1CCC[C@@H](C(=O)NNc2cccc(Cl)n2)C1	817006172	YZMUHJWFXOFZPA-SNVBAGLBSA-N	310.785	1.827	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c(C)o1	814185517	JFEFAKUTVKDJFG-UHFFFAOYSA-N	304.262	1.274	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1cc(O)ccc1[N+](=O)[O-]	815002410	ZKHSLNIJZJWGQA-UHFFFAOYSA-N	301.262	1.273	50	20	DDGD	
CSCC(=NNC(=O)C(N)=O)c1ccc(C(F)(F)F)cc1	814695514	FVKBBVMPHODLNS-UHFFFAOYSA-N	319.308	1.374	50	20	DDGD	
CC(=NNC(=O)COc1cccc(C)c1)c1cc(CO)on1	812222265	NSFTWQLBQAWVHW-UHFFFAOYSA-N	303.318	1.395	50	20	DDGD	
O=C(NN=C1CC[C@H](c2ccccc2)C1)[C@H]1CCS(=O)(=O)C1	814781201	BBDIRHYUCMLUQX-KBPBESRZSA-N	320.414	1.861	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1oc(C(C)C)nc1C#N	491199121	UONODLWTECVLBV-UHFFFAOYSA-N	323.353	1.591	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)C[C@@H]1CC[C@@H]2C[C@H]12	822205224	OYRJLNOGXPCZEU-SUNKGSAMSA-N	306.337	1.788	50	20	DDGD	
Cc1cccnc1CCCNC(=O)/C(C#N)=C/c1cnn(C)c1	490976035	QHNRFZLHWGVHKH-OQLLNIDSSA-N	309.373	1.780	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)OCc2ccc(F)cc2)ncn1	825854084	FCDXKDXZWITZAF-LLVKDONJSA-N	304.325	1.973	50	20	DDGD	
CCOC(=O)NN=Cc1c[nH]nc1-c1ccc2c(c1)OCCO2	490633564	DSPDOSVWODWISB-UHFFFAOYSA-N	316.317	1.928	50	20	DDGD	
C[C@@H]1CN(C(=O)/C(C#N)=C/c2cnn(C)c2)CCN(C2CC2)C1	491136915	WNPDFSFMUIWJSY-FEZXJWFHSA-N	313.405	1.270	50	20	DDGD	
C[C@@H](C=NNC(=O)c1cnn(C)c1)CNC(=O)OC(C)(C)C	496007385	ZDIUIBIBPXCJAO-SNVBAGLBSA-N	309.370	1.297	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](C(=O)NNC(=S)Nc2ccccn2)CCO1	829003401	OCJOJRFWQSTBAZ-RYUDHWBXSA-N	322.434	1.850	50	20	DDGD	
CCOC[C@H](C)CS(=O)(=O)NN(C)C(=O)OC(C)(C)C	496654880	LGNUGSSWQYICEH-JTQLQIEISA-N	310.416	1.360	50	20	DDGD	
O=C(Cc1cccc(F)c1)NNc1ccc(-c2nn[nH]n2)cc1	826423219	DITBAIIVNOWWDH-UHFFFAOYSA-N	312.308	1.692	50	20	DDGD	
CN(CC1(c2ccccc2)CC1)C(=O)c1ccc(B(O)O)cc1	584977873	SWXWYBCKWKHCLJ-UHFFFAOYSA-N	309.174	1.170	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)OCc2nc(C3CC3)nn2C)cn1	829235884	FDRBEKDXSCTOQM-XGICHPGQSA-N	312.333	1.076	50	20	DDGD	
CC(=NNC(=O)c1ccc(Cl)cc1)c1cn(CC(=O)O)nn1	825804789	WWPHQYKANODOLZ-UHFFFAOYSA-N	321.724	1.170	50	20	DDGD	
C[C@@]1(C(=O)NCCCCn2ccnc2)C[C@@H]1Br	906675772	FJAZAEJESUUKAR-CMPLNLGQSA-N	300.200	1.953	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccn(CCc2ccccc2)n1	822782535	VHIJZEVLKPDAET-UHFFFAOYSA-N	301.350	1.090	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cc(C(=O)O)ccc1OC	901152864	APMXNBLXVYKHON-UHFFFAOYSA-N	321.377	1.575	50	20	DDGD	
OB(O)c1ccc(CNc2ccc(N3CCCC3)nc2)c(F)c1	585029339	FJGKWBYASUGPDH-UHFFFAOYSA-N	315.157	1.113	50	20	DDGD	
Cc1csc2c1CN(C(=O)c1cc(B(O)O)ccc1F)CC2	584972055	LWSVEHVFKWWCIJ-UHFFFAOYSA-N	319.166	1.074	50	20	DDGD	
Cc1nnc(NC(=O)NNc2ccc(-c3nn[nH]n3)cc2)s1	826335995	JDABMUXIPPBGAJ-UHFFFAOYSA-N	317.338	1.175	50	20	DDGD	
CCCN(NC(=O)c1ccc(C(N)=O)o1)C(=O)OC(C)(C)C	495826045	CITVMTIGQWWGAN-UHFFFAOYSA-N	311.338	1.670	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)C2CC2)CC1)c1ccc(Cl)cc1	822156942	JHPCGDUXSQFBNU-UHFFFAOYSA-N	306.749	1.860	50	20	DDGD	
CCO[C@H]1C[C@@H](NCc2cccc(B(O)O)c2)C12CCCC2	585027516	VKOKHGBRRVGBTN-CVEARBPZSA-N	303.211	1.194	50	20	DDGD	
COCCOCc1cccc(NCc2ccc(B(O)O)cc2)c1	585012334	UTWXMLNNYCTHBM-UHFFFAOYSA-N	315.178	1.142	50	20	DDGD	
CC(C)N1CC[C@@H](N(C)C(=O)/C(C#N)=C/c2cnn(C)c2)C1	491008539	IMCKBWNHDMUKFK-KEQVLUGWSA-N	301.394	1.268	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@]2(C)CCCOC2)ccc1F	837035982	JOIPXHPCNQIOKG-HNNXBMFYSA-N	310.325	1.872	50	20	DDGD	
COc1ccc2[nH]cc(C=NNC(=O)N3CCOCC3)c2c1	730145734	MPOLCHCBKFBZQY-UHFFFAOYSA-N	302.334	1.552	50	20	DDGD	
CC(C)c1ocnc1C(=O)NNc1ccccc1S(C)(=O)=O	732303499	HCBJWSNTKNLAGD-UHFFFAOYSA-N	323.374	1.958	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NC[C@H]2CC[C@H](C)O2)cc1	838742539	SIVGPGDBTREXAL-GXFFZTMASA-N	322.365	1.598	50	20	DDGD	
O=S(=O)(CCl)NC[C@H]1CCN(CCc2ccccc2)C1	830388178	OFXCRKPBLKPJSU-CQSZACIVSA-N	316.854	1.667	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](Cc2ccc(F)cc2)C1	736628924	LFWQZNGIKLXDFW-OCCSQVGLSA-N	321.396	1.636	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCSC2(CCC2)CC1	585002441	VMQAYHJTZFCAAL-UHFFFAOYSA-N	323.198	1.007	50	20	DDGD	
O=C(CN1CCC[C@@H]1c1ccc(F)c(F)c1)NNC(=O)C1CC1	733198306	HPEVDOAXALAKNP-CQSZACIVSA-N	323.343	1.659	50	20	DDGD	
C=CCN(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NNC(=O)CC	731849387	ZJMSKQVLBLHITR-ZDUSSCGKSA-N	319.405	1.629	50	20	DDGD	
C[C@H]1[C@H](C)CCC[C@H]1CNC(=O)NNC(=O)N=c1cc[nH]cc1	836439644	ZEMKAZSAKNAALK-AGIUHOORSA-N	319.409	1.912	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)COC[C@H]1CCCO1	733219244	CCXZFQXIHZVWLF-LLVKDONJSA-N	311.290	1.704	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)NCC1(C2CC2)CCC1	836370750	CBVOQRSVDRIKJB-UHFFFAOYSA-N	303.366	1.420	50	20	DDGD	
CN(C)c1ccnc(C(=O)NN=c2cc[nH]c3ccccc23)c1	730288979	MBOXWZJAWRZOTO-UHFFFAOYSA-N	307.357	1.875	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc(C#N)cc1Cl	831566476	RCIMZAOAMJEQHB-WCBMZHEXSA-N	322.752	1.789	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2C[C@]2(F)c2ccccc2)c(F)c1	585048167	KAUZEUMHYFDNQO-HOTGVXAUSA-N	303.117	1.232	50	20	DDGD	
COc1ccc(OC(C)C)c(NCc2ccc(B(O)O)o2)c1	585013539	WRZQFTNQXLTUFD-UHFFFAOYSA-N	305.139	1.367	50	20	DDGD	
O=[S@@](c1ccc(N2CC[C@@H](B(O)O)C2)cc1)C(F)(F)F	900964958	IZRUPIXBAGHHJQ-SQFXPLBJSA-N	307.102	1.367	50	20	DDGD	
Cc1ccn(-c2ccc(C(=O)NNC(=O)c3c[nH]nc3C)cc2)n1	732084723	ZFWRTDPTAOOMGH-UHFFFAOYSA-N	324.344	1.287	50	20	DDGD	
C[C@@H](Oc1cccc(C=NNC(=O)[C@@H]2CCCCO2)c1)C(=O)O	834988529	JPYDRYQVYKYIJJ-RISCZKNCSA-N	320.345	1.558	50	20	DDGD	
O=C(O)[C@H]1C[C@@H]1C(=O)NNc1ccc(Br)nc1	739546430	IJENTPFFVYPOCG-BQBZGAKWSA-N	300.112	1.008	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCC1CCOCC1)c1ccccc1	731221016	CVIQTWOLGOFVOD-UHFFFAOYSA-N	319.405	1.721	50	20	DDGD	
CCCCO[C@H]1C[C@H](NC(=O)c2cccc(B(O)O)c2)C1(C)C	584960921	OWQWNMJXURYMAL-GJZGRUSLSA-N	319.210	1.080	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccc(NC(=O)N(C)C)c1	739705808	BKZPACDOQNUYKW-UHFFFAOYSA-N	321.381	1.524	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H](C)C(C)(C)C)cc1	734623545	TYNNULRSOFYKNB-GFCCVEGCSA-N	320.389	1.981	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCCCO[C@@H]2CCCCO2)cn1	834833165	WVGUQHAGJKOBGL-KQGZCTBQSA-N	318.377	1.377	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC(CO)(NCC(C)C)CC1	912589937	IIXDAHAIQCIRAZ-SDNWHVSQSA-N	309.410	1.029	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCCc1ccc2c(c1)OCCCO2	910183257	LTELLUBSMZNHTL-ZDUSSCGKSA-N	322.405	1.514	50	20	DDGD	
C[C@]1(C(=O)NC[C@H]2CC[C@H](C(N)=O)CC2)C[C@@H]1Br	911175838	JGMJQSJUVNXTQC-YVNDNENWSA-N	317.227	1.568	50	20	DDGD	
CC(=NNC(=O)C(C)(C)C)c1ccc(NS(C)(=O)=O)cc1	916661618	DVHUYSHMUDOMAE-UHFFFAOYSA-N	311.407	1.944	50	20	DDGD	
C[C@@](O)(C(=O)NNc1ncc(Br)cn1)C1CCC1	848322596	HRDRZCWRZSJVNB-NSHDSACASA-N	315.171	1.233	50	20	DDGD	
O=C(CCCn1cccn1)NNC(=O)c1ccc(Cl)cc1O	748837633	GSAPMKFVUPDMTI-UHFFFAOYSA-N	322.752	1.484	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)c1ccc(O)nc1	913440014	GVQKEVYFWYUOKO-UHFFFAOYSA-N	318.358	1.427	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2ncncc2C1	843832772	WKTQBUSEBSOSHA-SNVBAGLBSA-N	313.317	1.633	50	20	DDGD	
NC[C@@H]1CC[C@H](NC(=O)NNC(=O)c2cccc(Cl)c2)C1	842009585	FMLIEJWONJVEJX-SKDRFNHKSA-N	310.785	1.411	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843980974	YYPMVSXSFNWJSU-JFUSQASVSA-N	308.382	1.093	50	20	DDGD	
CC1(C)CC(=NNC(=O)c2ncccn2)c2ccc(O)cc2O1	841665035	GPKRMBMBSFSAKI-UHFFFAOYSA-N	312.329	1.877	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)C1SCCCS1	841391921	MTQMHQYUXLRGLH-UHFFFAOYSA-N	323.403	1.771	50	20	DDGD	
O=C(NCc1cc[nH]n1)NNC(=O)c1cccc2ccccc12	745616441	XXWIFKUKTVHHHY-UHFFFAOYSA-N	309.329	1.707	50	20	DDGD	
CC1(NC(=S)NNC(=O)Nc2ccc3c(c2)OCO3)CCC1	840729844	DOEXQJSGYYQKDV-UHFFFAOYSA-N	322.390	1.859	50	20	DDGD	
Cn1ccc(CNC(=O)NNC(=O)Cc2ccccc2F)c1	747954865	MOXLGDVBSBNKLL-UHFFFAOYSA-N	304.325	1.237	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O)C1CC1	742033674	SGUMVACRWVKAAS-GFCCVEGCSA-N	321.764	1.250	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)Cc2ccncc2)c1Cl	747324774	OCGXRHXMNQKVAN-UHFFFAOYSA-N	321.768	1.264	50	20	DDGD	
C=CCCOCC(=O)Nc1cccc(NC(=O)NN(C)C)c1	843871118	XLXLOXGKKACLDS-UHFFFAOYSA-N	306.366	1.816	50	20	DDGD	
COc1cccc(C(C)=NNC(=O)Cn2nc(C)cc2C)c1O	844571590	JUVKZXACSLZTLN-UHFFFAOYSA-N	316.361	1.755	50	20	DDGD	
CC(C)N1CCN(CCCC(=O)NN[C@H](C)C(F)(F)F)CC1	912899035	UAOPDIBWDMONEN-GFCCVEGCSA-N	324.391	1.364	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cc(F)cc2nc(S)[nH]c12	919711321	IOGNGPFJRKHLIC-UHFFFAOYSA-N	322.365	1.942	50	20	DDGD	
NCC[C@@H](NC(=O)NNc1ncc(F)cc1F)C(F)(F)F	841335020	MPBRKXCIVFJQDU-SSDOTTSWSA-N	313.230	1.266	50	20	DDGD	
O=C(NC[C@@H]1CCCNC1)NNc1cc(F)c(F)c(F)c1	841927396	OTKDCDUMZRTDLN-MRVPVSSYSA-N	302.300	1.730	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)CN2CCCC2=O)C12CCCC2	743431052	PLOKYBPSMZXTQG-CYBMUJFWSA-N	307.394	1.450	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCc1ccccc1OC(F)(F)F	910165502	LRCXPFAGSXFZIK-JTQLQIEISA-N	320.311	1.862	50	20	DDGD	
CCn1nncc1C(=O)NNc1ncnc(Cl)c1C(C)C	840545458	USAJPHDTPXRYFS-UHFFFAOYSA-N	309.761	1.622	50	20	DDGD	
CC(C[C@H]1CCCC(=O)N1)=NNC(=O)COCc1ccccc1	841624698	APMQWTJBCGSGBK-OAHLLOKOSA-N	317.389	1.754	50	20	DDGD	
CCc1nc(C=NNC(=O)[C@H]2CCO[C@H]2C)c2ccccn12	842561189	JGOJFZSXJNPRTF-RYUDHWBXSA-N	300.362	1.772	50	20	DDGD	
O=C(NN=Cc1ccc(CO)o1)Nc1ccc(C(=O)O)cc1	743443728	OFAJPJSSPLSBCQ-UHFFFAOYSA-N	303.274	1.626	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H]1C[C@H]2C=C[C@H]1CC2	842526686	ALWWXZJYISXWSR-VOAKCMCISA-N	313.423	1.019	50	20	DDGD	
Cc1onc(CO)c1C(=O)NNC(=O)C(C)(C)c1ccccc1	847475051	BOVSVPJMQXQLFJ-UHFFFAOYSA-N	317.345	1.214	50	20	DDGD	
CCOC(=O)NNC(=O)C(CC)(CC)C(=O)OC(C)(C)C	845074592	STMCYROFAMCGSB-UHFFFAOYSA-N	302.371	1.912	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1c(Cl)nc(Cl)n1C	842548878	DGKWNOUUCAZRKB-RQJHMYQMSA-N	305.165	1.602	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCc2cccn2C)cc1	845018798	CWFPRFDTUCKSFH-UHFFFAOYSA-N	316.361	1.567	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)N[C@@H]1C[C@H]2CCCCN2C1=O	922817388	NHMXRQAMDMMJRE-ZWNOBZJWSA-N	324.331	1.744	50	20	DDGD	
CC(=O)N(C)CC(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	746897497	XSQNQAZICXPFOG-UHFFFAOYSA-N	314.267	1.498	50	20	DDGD	
CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1coc2ccccc12	747751614	OIOSCKWYSWEVMK-JTQLQIEISA-N	323.374	1.211	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)N[C@@H]2COC[C@H]2C)c1	925991437	ONLQEHDJSMXDRD-TZMCWYRMSA-N	321.377	1.048	50	20	DDGD	
CC(C)(O)C(=O)NNc1c(F)cc(C(=O)NC2CC2)cc1F	756875367	JWZPPBCIJXCNDH-UHFFFAOYSA-N	313.304	1.071	50	20	DDGD	
COCc1ncsc1C(=O)NNC(=O)OCC(F)(F)F	856018589	DCWCAOWESSVQAQ-UHFFFAOYSA-N	313.257	1.223	50	20	DDGD	
CN1CC[C@H]1CNC(=O)NNc1cccc(Br)n1	925428250	BSSVLYGEEAHSHI-QMMMGPOBSA-N	314.187	1.174	50	20	DDGD	
CCOC1(C(=O)NNC(=O)c2cccc(Cl)n2)CCCC1	857324488	HBYVYZZZHDFNQI-UHFFFAOYSA-N	311.769	1.845	50	20	DDGD	
COc1nc(C)ccc1C(=O)NNC(=S)NCC1CCC1	855089174	FYAMXUIMWYHWOD-UHFFFAOYSA-N	308.407	1.308	50	20	DDGD	
COCC(=O)NC1CCN(/C(=C\C#N)c2ccc(F)cc2)CC1	750791149	GFDKJDXVHWQRMM-SOFYXZRVSA-N	317.364	1.917	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NNC(=O)CC(C)C)C1	751314084	AMNDAJHCDCLHNQ-QWHCGFSZSA-N	311.426	1.465	50	20	DDGD	
Cc1ccc(F)c(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c1	853387892	SOVXMOCLYHIHEH-HIFRSBDPSA-N	305.353	1.447	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1ccc([N+](=O)[O-])cc1F	855621127	LCNVITNPXNSOEH-UHFFFAOYSA-N	314.273	1.313	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)C(=O)Nc1cnn(C(C)C)c1	850586133	LSRHDPDGOUVVEH-UHFFFAOYSA-N	319.340	1.993	50	20	DDGD	
CCC(CC)(C(=O)NNC(=O)c1cc[nH]n1)C(=O)OC(C)(C)C	855355497	ZGTKTSQZTCFLHI-UHFFFAOYSA-N	324.381	1.319	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1	758724674	MZGJDPAQZMQIIG-YVECIDJPSA-N	315.414	1.193	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CCNC2=O)c(C(F)(F)F)c1	857264924	RUGPTDMLTONHBX-QMMMGPOBSA-N	317.267	1.293	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)c1ccc(OC)cc1OC)C1CC1	859245560	BVZFOZXELRVHED-AWEZNQCLSA-N	322.361	1.280	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc2nnnn2c1	758201231	OCCFHHZQLZVRKI-UHFFFAOYSA-N	315.245	1.260	50	20	DDGD	
COC1(C(=O)NNC(=O)COc2cccc(C)c2)CCCC1	754154989	ADCALNDOIDNORF-UHFFFAOYSA-N	306.362	1.480	50	20	DDGD	
O=C(NN=C1CCN(c2cnccn2)CC1)c1cccc(F)n1	853441880	FAQSWAUPUPUWTL-UHFFFAOYSA-N	314.324	1.397	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)c2cc3c(s2)CCC3)c(C)n1	858138388	YYLVRXOJPZHPGK-UHFFFAOYSA-N	318.402	1.836	50	20	DDGD	
C[C@H](Oc1ccccn1)C(=O)NNC(=S)N[C@H](C)C1CC1	855095823	PIDKMSURLYLTQZ-ZJUUUORDSA-N	308.407	1.143	50	20	DDGD	
Cc1c(CNC(=O)NC[C@]2(C)C[C@H]2Br)cnn1C	856844492	MSYXXHLJRGQLAC-PWSUYJOCSA-N	315.215	1.701	50	20	DDGD	
C[C@@]1(CN2C(=O)CN(C3CCC3)C2=O)C[C@H]1Br	857228024	XMPDYFAYLNGXEZ-SKDRFNHKSA-N	301.184	1.977	50	20	DDGD	
C[C@H]1C[C@@H]1c1ccc(C=NNC(=O)CNC(=O)c2ccco2)o1	750936684	LYLQVWGVFDTTLC-JQWIXIFHSA-N	315.329	1.876	50	20	DDGD	
O=C(Cc1cc(Cl)cc2c1OCC2)NNC(=O)NC1CC1	755156174	HCZGMKVJXNGCAU-UHFFFAOYSA-N	309.753	1.310	50	20	DDGD	
O=C(CC(F)(F)F)NN=C1CS(=O)(=O)Cc2ccccc21	853292658	HLFYQQKJLIEDEW-UHFFFAOYSA-N	320.292	1.388	50	20	DDGD	
O=C(NNC(=O)c1noc2c1CCCC2)OCC(F)(F)F	856024240	NIUIOTDLSOCCDK-UHFFFAOYSA-N	307.228	1.487	50	20	DDGD	
CC(C)(C)OC(=O)[C@@]1(C(=O)NNc2nc[nH]n2)C[C@H]2CC[C@H]1C2	857260919	BASMLQXNQGFODY-YHAQOWFVSA-N	321.381	1.396	50	20	DDGD	
CC(C)CN(Cc1ccccc1)C(=O)NNC(=O)c1cn[nH]c1	858703846	HSGCXRSWLCEIPI-UHFFFAOYSA-N	315.377	1.922	50	20	DDGD	
COC[C@@H]1CCCN1C(=O)NNC(=O)c1ccccc1OC	752009905	JVLDLZKBSGAYCJ-NSHDSACASA-N	307.350	1.160	50	20	DDGD	
CC[C@](C)(NC(=O)NNC(=O)c1cnn(C)c1)C(F)(F)F	933515234	ILNQVWPDPISVMG-JTQLQIEISA-N	307.276	1.095	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1	868242546	QZWIIFQYZIEJMH-ZIAGYGMSSA-N	321.421	1.523	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@H]1CCNC2(CCC2)C1	866777107	GHJCZMKSYUHFQX-NSHDSACASA-N	308.875	1.846	50	20	DDGD	
CC[S@](=O)c1ccccc1C(=O)NN[C@H](C)C(F)(F)F	862304645	DLDUXTKNEUEDJY-SQFXPLBJSA-N	308.325	1.999	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(F)c(F)c1F)[C@H]1CCC(=O)N1	860315564	KIPXHTJHHQBIKS-HTRCEHHLSA-N	301.268	1.462	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)c2cc(C)[nH]n2)c(C)c1	935140318	QNUHKFPPUWSXAL-UHFFFAOYSA-N	302.334	1.039	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@@H](C)C(C)C	767343822	APSIYKRCCLXLSH-ZDUSSCGKSA-N	320.389	1.520	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)C1(C#N)CCCC1	766661569	FDLKOCVNQFCKMV-UHFFFAOYSA-N	307.375	1.617	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CN2CCC3(CC2)CC3)c1	761063451	VNAHBRXJORFSKG-UHFFFAOYSA-N	312.373	1.195	50	20	DDGD	
C[C@@H](CCc1ccc(F)cc1)C(=O)NNC(=O)c1cn[nH]c1	869384514	AJFXRHKZXYDJHE-JTQLQIEISA-N	304.325	1.579	50	20	DDGD	
CCCN(C)c1ccccc1NC(=O)NNC(=O)COCC	861646483	QWWIONKYEISWGG-UHFFFAOYSA-N	308.382	1.722	50	20	DDGD	
CCCOc1cc(C)ccc1NC(=O)C(=O)NNC(=O)C(C)C	763817150	CXECMVCLLJTZFS-UHFFFAOYSA-N	321.377	1.526	50	20	DDGD	
COC(=O)c1cc(OC(=O)c2cc(C)ncn2)ccc1[N+](=O)[O-]	768132795	AEEBMKRDJKTIPO-UHFFFAOYSA-N	317.257	1.699	50	20	DDGD	
CCCCS(=O)(=O)CC(=O)NNc1ccc(F)cc1C	935022293	DIERCGUWWVNQDY-UHFFFAOYSA-N	302.371	1.792	50	20	DDGD	
Cc1nc(C(C)(C)C)nc(O)c1C(=O)NNc1ncc(F)cn1	762092884	BKYDIPFUYLFCQD-UHFFFAOYSA-N	320.328	1.474	50	20	DDGD	
O=C(NCCc1ccncc1)NNC(=O)c1c[nH]c2ccccc12	762667143	JTDOMDLMQZONIA-UHFFFAOYSA-N	323.356	1.750	50	20	DDGD	
OB(O)c1cccc(CNc2ccc(F)cc2OC(F)F)c1	864029521	AWLUMEIPYAFQTP-UHFFFAOYSA-N	311.068	1.719	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCc1cscn1	767937194	HHVZJQASMOQLGR-UHFFFAOYSA-N	304.375	1.638	50	20	DDGD	
CN(CC(=O)NNC(=O)C1CC1)Cc1ccc(F)c(Cl)c1	763823131	HJSGRNAKNLQULI-UHFFFAOYSA-N	313.760	1.468	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H](C)Oc1cccc2ccccc12	767723575	PWLQUKBKMWZFGS-LLVKDONJSA-N	301.346	1.957	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ncc2ccccn12)C1CC1	869219324	UMLKQJXIBRNPMJ-VIFPVBQESA-N	303.391	1.242	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)c2ccc(S(N)(=O)=O)nc2)c1	765010261	ZBBMHBZRUTUQDF-UHFFFAOYSA-N	320.374	1.103	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@]12CCOC2)c1ccc(Cl)cc1O	763748047	VCXTUKBNPZAPJO-YGRLFVJLSA-N	310.737	1.233	50	20	DDGD	
CN(N=C1C(=O)Nc2cc(OC(F)(F)F)ccc21)C(N)=O	767911511	UTBZXWIJMJVURG-UHFFFAOYSA-N	302.212	1.252	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cccc3c2OCCO3)c1Cl	1116292678	PTUZYTWTDYIMBR-UHFFFAOYSA-N	321.724	1.240	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2ccncc2C)cc1	771723451	YDEZAKLQRUWFBO-UHFFFAOYSA-N	314.345	1.272	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H]1COC2(CCC(C)CC2)O1	875464820	NUABIGWCNCVUMN-CVZZAPKMSA-N	315.370	1.221	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H](C(C)C)N(C)C)c1	874949798	DXDVDOXEFDIRPR-CQSZACIVSA-N	318.446	1.572	50	20	DDGD	
O=C(CCCC[C@H]1CCSS1)NC[C@H]1COCCN1	877040578	QMEWXARPUFITFU-RYUDHWBXSA-N	304.481	1.805	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2nccnc2C(C)C)cn1	773992548	QKDVUPOVUZTPJO-UHFFFAOYSA-N	314.349	1.385	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@H]2CC23CCC3)cc1	876423072	MMIKSGYNKYGMMF-ZDUSSCGKSA-N	303.362	1.971	50	20	DDGD	
Cc1ccc(O)c(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)c1	771852941	OGRDXSUQPXROQL-NSHDSACASA-N	322.361	1.439	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccc3cc[nH]c3n2)cc1	779380672	XEAYREOTOJPVNQ-UHFFFAOYSA-N	324.340	1.711	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1OC	773496514	KMAJKCCDJTYXSZ-UHFFFAOYSA-N	315.713	1.064	50	20	DDGD	
COC1(CNC(=O)NNC(=O)C2CCOCC2)CCCCC1	883611324	VBCKKEJLDRANDP-UHFFFAOYSA-N	313.398	1.093	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CC1CCSCC1	772184522	SIVHMLFJCHFDKV-SECBINFHSA-N	302.396	1.009	50	20	DDGD	
Cn1cc(NC(=O)NNc2ncccn2)c(C(F)(F)F)n1	782811721	GGXMUNDQTHGCLO-UHFFFAOYSA-N	301.232	1.378	50	20	DDGD	
CCn1cc(CC(=O)NNC(=O)Cc2ccc(Cl)cc2)cn1	780173746	NKVPRRLYODJAOS-UHFFFAOYSA-N	320.780	1.489	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)c1cnn(C)n1	786428202	XZSXKVHVMFAFSS-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
COc1cc(NNC(=O)NCc2ncn(C)n2)ccc1Cl	789154302	DXSYIJAWKNFQEF-UHFFFAOYSA-N	310.745	1.303	50	20	DDGD	
Cc1ccc(F)cc1C(=O)C(=O)NNc1ccc(Cl)nn1	782116615	BQRZQLYIGNWZSC-UHFFFAOYSA-N	308.700	1.904	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)C2CCOCC2)c1OC	889477274	QQGOMMIPEGOVJD-UHFFFAOYSA-N	323.349	1.283	50	20	DDGD	
COc1ccc(NNC(=O)C#Cc2ccc3c(c2)OCO3)nc1	781530411	DDLSPMKSRUTHBG-UHFFFAOYSA-N	311.297	1.314	50	20	DDGD	
COC(=O)COc1ccc(NC(=O)NN=c2cc[nH]cc2)cc1	782016431	FIRCFNZADPAEDI-UHFFFAOYSA-N	316.317	1.204	50	20	DDGD	
COC1(C(=O)NNC(=O)c2ccccc2O)CCCCCC1	891811110	YHQXPIOWKGHQKJ-UHFFFAOYSA-N	306.362	1.893	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CCC2)nn1-c1cccc(C#N)c1	780499014	OTVBGNMKJDVXHQ-UHFFFAOYSA-N	323.356	1.614	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccnc(NC2CCC2)c1	899939486	QFMDHFKKPVTGAX-UHFFFAOYSA-N	305.407	1.341	50	20	DDGD	
CCNC(=O)N(C)N=CC(C)(C)N1C(=O)c2ccccc2C1=O	782268850	ZDVVLWMNZOCBAH-UHFFFAOYSA-N	316.361	1.708	50	20	DDGD	
CC(C)C(=O)NNC(=O)C[S@@](=O)c1ccc(Cl)cc1	899946578	FFZLVBWHWMASOS-LJQANCHMSA-N	302.783	1.251	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2ccccc2OCC(=O)O)n1	794572692	ZHNKRULJFIMKPK-UHFFFAOYSA-N	313.313	1.617	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41	798124135	IQXPMRVVYFWBGR-VBJLVJOSSA-N	319.474	1.674	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNC(=O)c1nnc(O)c2ccccc12	794613322	MMXJJGBTVXLQJF-HNNXBMFYSA-N	313.317	1.036	50	20	DDGD	
CN(C)c1cccc(CCC(=O)NNc2nc3ccccn3n2)c1	792482237	MYFMOHJTTPIXED-UHFFFAOYSA-N	324.388	1.871	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1Br)S(N)(=O)=O	799894241	PWYVOOWXYLIJTK-FPYGCLRLSA-N	305.128	1.741	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCCOc2cccnc2)n1	794072975	VEQJBAVMPMQCRQ-UHFFFAOYSA-N	314.345	1.405	50	20	DDGD	
C=C(CBr)CN1CCN(CC(=O)NC(C)C)CC1	791439385	CYESGGQUFWYMNO-UHFFFAOYSA-N	318.259	1.080	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cc3ccccc3o2)ccn1	1318937536	HBRWVLKVNDYBBN-UHFFFAOYSA-N	311.297	1.911	50	20	DDGD	
COC(=O)C(=O)NN=Cc1cc(OC)c(OC)cc1SC	1319346935	VBQOSDDJGWYHJX-UHFFFAOYSA-N	312.347	1.049	50	20	DDGD	
COc1ccc(OCC(=O)NNc2nncc(N)c2Cl)cc1	1319216432	XJBHCUAGVQRKMP-UHFFFAOYSA-N	323.740	1.243	50	20	DDGD	
CN(C)C(=O)CCCC(=O)NNC(=O)c1ccccc1Cl	1322844786	CLIMXISMMYUREA-UHFFFAOYSA-N	311.769	1.360	50	20	DDGD	
C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	1326004467	FZTHMYIOUKXHJV-LPWJVIDDSA-N	311.426	1.957	50	20	DDGD	
COc1ccc2c(c1)OC[C@H]2CC(=O)NNC(=S)NC(C)C	1320282352	RETDJGZRSUFQST-SNVBAGLBSA-N	323.418	1.465	50	20	DDGD	
COc1cc(Cl)c(NC(=O)NNC(=O)CCO)cc1C	1329552741	JESPOFMBNGIROE-UHFFFAOYSA-N	301.730	1.192	50	20	DDGD	
N#CSCCCNC(=O)c1ccoc1C1(O)CCOCC1	1324385536	CRYFGLVQSUPSAB-UHFFFAOYSA-N	310.375	1.612	50	20	DDGD	
CC(C)(C)NCC(=O)NNC(=O)c1cccc2ncccc12	1338670514	METNGUNWUWDWDI-UHFFFAOYSA-N	300.362	1.384	50	20	DDGD	
Cc1nc(N)sc1C(=O)NC[C@@]1(C)C[C@H]1Br	1334668094	HGLMYBBWODEDOY-LHLIQPBNSA-N	304.213	1.937	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)c1cn(C)c2ccccc12)C1CC1	1331790969	VEMASOUWUNDBDF-HNNXBMFYSA-N	315.373	1.754	50	20	DDGD	
O=C(CCO)NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1	1339925963	SWFNRQBJEUXJHF-UHFFFAOYSA-N	303.274	1.687	50	20	DDGD	
CCOC(=O)COc1ccc(C=NNC(=O)c2ccc[nH]2)cc1	1252607158	SOGWZOWFKCEHTE-UHFFFAOYSA-N	315.329	1.721	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCSC[C@@H]1CO	1337159934	UAVNXFDFOYPFNN-WHGQRRHOSA-N	304.371	1.235	50	20	DDGD	
CC1=NO[C@](C)(C(=O)NNC(=O)c2cccc3cccnc23)C1	1337044669	QKAUTCINEZVCSQ-INIZCTEOSA-N	312.329	1.551	50	20	DDGD	
COCc1nocc1C(=O)NNc1ccc(C(F)(F)F)nn1	1349458060	OFTFJZMWUXRGGJ-UHFFFAOYSA-N	317.227	1.387	50	20	DDGD	
COC(C)(C)C[C@@H](C)NC(=O)NNc1nncc(N)c1Cl	1340574623	XRJFUPRNIRTRFI-SSDOTTSWSA-N	316.793	1.542	50	20	DDGD	
Cc1cc([C@@H](C)NC(=O)NNC(=O)[C@@H]2CCCCO2)c(C)o1	1348031376	CCPCEOBGKCIBES-MFKMUULPSA-N	309.366	1.857	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cccc3[nH]ncc23)c1Cl	1340554295	HWIAMFSPVWFJAF-UHFFFAOYSA-N	303.713	1.345	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@]1(F)CCOC1	1352228356	JUFCSUNJBBJLEN-CYBMUJFWSA-N	300.261	1.184	50	20	DDGD	
O=C(C1CCC(Cl)CC1)N1CCC(N2CC[C@H](O)C2)CC1	1350091022	GRQRTSRCLWSRDZ-PIMMBPRGSA-N	314.857	1.842	50	20	DDGD	
Cc1ccc(N2C[C@H]3[C@H](Br)[C@H]3C2)c(-c2nn[nH]n2)n1	1605868117	DPQSJUKDYJNFLG-MBTKJCJQSA-N	321.182	1.400	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)C23CCCN(CCC2)C3)c(F)c1	1602385041	POZPDDMWOFDMJW-UHFFFAOYSA-N	321.352	1.843	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@]2(C(=O)O)C[C@H]2c2ccccc2)nc1	1601107946	SYHRHIPEMGYYBS-GUYCJALGSA-N	322.324	1.655	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(C(=O)O)cc1F)c1ccn(C)n1	1609769053	SYJARVJGGOBACQ-MRVPVSSYSA-N	321.312	1.645	50	20	DDGD	
O=C(O)COc1ccc(NC(=O)NNC(=O)C2CCCC2)cc1	1608762115	WPNDGTGLUUILNS-UHFFFAOYSA-N	321.333	1.493	50	20	DDGD	
Cc1ccc(NNC(=O)c2cn(C(C)(C)C)nn2)cc1C(=O)O	1607809601	WWXROPCSAMOOSY-UHFFFAOYSA-N	317.349	1.797	50	20	DDGD	
CCC(CC)(C(=O)O)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	1603525964	NAQNBJOSSXXNPI-UHFFFAOYSA-N	323.305	1.247	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)C1(CC(=O)O)CCOCC1	1603109909	PAWSKRADBPDOKS-UHFFFAOYSA-N	322.365	1.315	50	20	DDGD	
O=C(O)C1CN(C(=O)[C@]2(c3ccccc3)C[C@H]2Br)C1	1601840316	SIHFXFGGXOEHAW-RISCZKNCSA-N	324.174	1.635	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2cnc3n2CCCC3)cc1	1608781566	KAFHHOSDXGHQNB-UHFFFAOYSA-N	314.345	1.603	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2cccc(C(=O)O)c2)c2ncnn21	1604676119	KAJHOKTYBWWBIQ-LDYMZIIASA-N	316.321	1.308	50	20	DDGD	
CC(C)[C@H](C(=O)O)C(=O)NNc1cccc2c1OC(F)(F)O2	1602969587	BIVLMQMECBEGEO-VIFPVBQESA-N	316.260	1.808	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CCCc3n[nH]cc32)cc1F	1610835569	ORYKLKYTXHPUCT-SECBINFHSA-N	318.308	1.810	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)c(C)s1	1549317264	KKNHNXMGLCTDOR-ZIAGYGMSSA-N	307.419	1.678	50	20	DDGD	
O=C(NN=Cc1ccc2occc2c1)[C@H]1CN2CCC[C@@H]2CO1	1549319085	GHTQQZKTSWLYRD-GDBMZVCRSA-N	313.357	1.746	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@@H]1C=NNC(=O)c1cc(C)[nH]n1	1552761453	VCYASKYKWDQKDD-DGCLKSJQSA-N	316.365	1.428	50	20	DDGD	
C[C@]1(CNC(=O)NNc2c(F)cc(F)cc2F)CNCCO1	1576516997	YFSTZZJDSKAQDY-CYBMUJFWSA-N	318.299	1.109	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@H]1CNCCC12CCC2	1579796436	DQHATQOCPRMROB-OAHLLOKOSA-N	315.417	1.465	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1coc([C@@H]2CCCN2)n1	1580739445	FPODBELDXZPDAH-NSHDSACASA-N	317.305	1.764	50	20	DDGD	
CNC(=O)NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c1ccc(C)cc1	5244158	ACUDDFMYTLVLDS-ZWSXMNCCSA-N	315.329	1.289	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)c1ccc2c(c1)CNCC2	1580742949	LBUGGLZOFKXKJV-UHFFFAOYSA-N	304.300	1.762	50	20	DDGD	
O=C(Nc1n[nH]cc1-c1nn[nH]n1)c1cccc(CCl)c1	1593199650	QGWLQAKYHFEIFZ-UHFFFAOYSA-N	303.713	1.581	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@]12CCCC[C@H]1OCC2	1595261490	CNMXOGCCJSCHET-ABAIWWIYSA-N	305.334	1.572	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)[C@H]1C	1590334801	LZSHURSOMUTLFR-XHSYRHOGSA-N	316.365	1.369	50	20	DDGD	
COCCn1ncc(C(=O)NNc2cccc(C(=O)O)c2)c1C	1599274107	XHSIVFVOUCBZGI-UHFFFAOYSA-N	318.333	1.293	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@H](C)Cc1cnc[nH]1	1599376282	PBLSMGWHJLXGPY-SECBINFHSA-N	318.333	1.438	50	20	DDGD	
COc1ncc(/C=C\C(=O)NNc2cccc(C(=O)O)c2)cn1	1599736451	VBKFOQQYOBAYTF-WAYWQWQTSA-N	314.301	1.340	50	20	DDGD	
CCn1nc(C(=O)NNc2cccc(C(=O)O)c2C)ccc1=O	1597928025	SDNNSTPSZLZXGW-UHFFFAOYSA-N	316.317	1.027	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc2oc(C(=O)O)cc2c1	1596862432	UUWKUGUQFOXIJX-UHFFFAOYSA-N	321.289	1.320	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NN=Cc1c(C)ccc(OC)c1C(=O)O	1776102078	GMMNYAZXXMJANE-MFKMUULPSA-N	320.345	1.577	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=C(C)c1cc(C(=O)O)ccc1C	1776102199	JMAXDBIYWZRJST-ZIAGYGMSSA-N	304.346	1.958	50	20	DDGD	
CC(=NNC(=O)c1cccc(C(=O)O)c1)c1cnn2c1CCC2	1776096885	WGYUVTXCSMLGFJ-UHFFFAOYSA-N	312.329	1.682	50	20	DDGD	
CC(C)c1nn(C)c(Cl)c1C(=O)NNC(=O)c1ccncc1	158052573	CPCIBEAFTKSLGD-UHFFFAOYSA-N	321.768	1.667	50	20	DDGD	
O=C(CN1C(=O)c2ccccc2C1=O)NNc1cccc(F)c1	154063768	SRTDIGBPWLQQIU-UHFFFAOYSA-N	313.288	1.565	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)Cc2c(C)noc2C)n1	155896417	FRXDVARFUIBUNI-UHFFFAOYSA-N	318.381	1.613	50	20	DDGD	
CNC(=O)[C@H](C)CN(C)S(=O)(=O)c1ccc(CCl)cc1	380307874	UIEOMLUOPGJDLS-SNVBAGLBSA-N	318.826	1.428	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@@H]1CNS(=O)(=O)CCl	830429594	YZNKBBSJUKTRNZ-SECBINFHSA-N	312.819	1.502	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@]1(O)CCSC1	862289381	DGZSIEMHGGFQAY-AWEZNQCLSA-N	310.375	1.154	50	20	DDGD	
CC(C)N(C)CC(=O)NNC(=O)c1cccc2ncccc12	106811424	XGWWKMOSDSUEAQ-UHFFFAOYSA-N	300.362	1.336	50	20	DDGD	
CC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cccc(Cl)c2)C1	8194237	MNPHGWLRLSNGFP-GFCCVEGCSA-N	323.780	1.360	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CSc2ncccn2)cc1	10861100	XGTVFDOPBYVXAJ-UHFFFAOYSA-N	302.359	1.338	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)ccn1)c1cccc([N+](=O)[O-])c1	27339810	YEQUNYIBMNCGIX-UHFFFAOYSA-N	320.692	1.718	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2sccc2C#N)c(O)c1	52148094	JEWDBFNPZBQDMM-UHFFFAOYSA-N	301.327	1.709	50	20	DDGD	
CCCNC(=O)c1cccc(CN/C=C(\C#N)C(=O)OCC)c1	55007499	AEJOEVAUSCPNDB-NTCAYCPXSA-N	315.373	1.887	50	20	DDGD	
Cc1ccc(NC(=O)N(C)C)c(C(=O)NNc2ncccn2)c1	114167238	QEWNDVDVTUCTKW-UHFFFAOYSA-N	314.349	1.635	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C[C@H]1OCCc2ccccc21	115374616	CNXCFVXRWLDAPT-CQSZACIVSA-N	314.345	1.183	50	20	DDGD	
Cc1nn(C)cc1[C@@H](C)NC(=O)NNC(=O)c1ccccc1F	69334115	IVSSLUWFMXZEIV-SECBINFHSA-N	319.340	1.573	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)c1ccccc1O	66351352	BSNORLVOGGYWKJ-UHFFFAOYSA-N	321.377	1.096	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2csc(-c3ccoc3)n2)cn1	117681605	NKBMPTYNPRPQJR-UHFFFAOYSA-N	317.330	1.211	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cc(Cl)ccn2)cc1	61465551	IXPNWAURCVOFEL-UHFFFAOYSA-N	300.705	1.681	50	20	DDGD	
CC(C)n1nccc1NC(=O)NNC(=O)Cc1ccccc1F	66906487	ZOIAHFKRBITTNU-UHFFFAOYSA-N	319.340	1.999	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F	113459753	DHRFMKXEPXUUNZ-MNOVXSKESA-N	311.357	1.750	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H]1CCCCN1Cc1cccc(F)c1	1345693595	YCQSGHUTWXYUHQ-CQSZACIVSA-N	322.384	1.531	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1cnn(Cc2ccccn2)c1	179878141	CZEGWNZPIXPCQV-UHFFFAOYSA-N	316.365	1.525	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(F)cc([N+](=O)[O-])c1N	64882816	VUXKRZSIQJPWOM-UHFFFAOYSA-N	313.289	1.060	50	20	DDGD	
Cc1cc(F)ccc1-n1cc(C(=O)NNc2ncccn2)nn1	179299180	FMLLVRGJKVZGTP-UHFFFAOYSA-N	313.296	1.262	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	188896324	QEVWAUJVVHQBSW-UHFFFAOYSA-N	323.356	1.798	50	20	DDGD	
C[C@@H](O)CN1CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CC1	186829513	MKWDFRKHLKMWLS-NWFCWYBLSA-N	317.364	1.258	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNc2cncc(Cl)n2)cc1	128310374	SAQHPZJVWXONRT-UHFFFAOYSA-N	319.752	1.774	50	20	DDGD	
CC[C@@H]1CCCN(CC(=O)NNC(=O)Cc2nc(C)cs2)C1	30144096	SIAHSWKMZZWUAK-GFCCVEGCSA-N	324.450	1.263	50	20	DDGD	
Cc1nn(C)c(C)c1OCC(=O)NNc1cc(Cl)ccn1	182966721	DUDPNWKITXQAAE-UHFFFAOYSA-N	309.757	1.607	50	20	DDGD	
CC[C@@H]1CCC[C@H](NC(=O)NNC(=O)Cn2nc(C)cc2C)C1	77855791	GHYZFXXVIYUECW-KGLIPLIRSA-N	321.425	1.799	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1c(F)cc(C#N)cc1F	128948461	UZSQJKXRABSJPB-UHFFFAOYSA-N	317.317	1.192	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1cccc(C#N)c1	71822096	UXPUIGVNKGVQGZ-UHFFFAOYSA-N	324.340	1.440	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cc(C)on2)c(C)c1	78259916	LDMVDWQWYBLEHB-UHFFFAOYSA-N	302.334	1.473	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ncc(Cl)cc1Cl	133063069	FXXHGMCLVKPZTQ-NKWVEPMBSA-N	304.133	1.641	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cccn2C)c(C)c1	184799747	MFOBYTIAQMFZSG-UHFFFAOYSA-N	302.334	1.809	50	20	DDGD	
Cc1nc(NC(=O)C(=O)NNc2ccc(F)cc2)sc1C	193274410	OCSJYQXKVGLAPB-UHFFFAOYSA-N	308.338	1.981	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNc1ncccn1)C1CCCCC1	46314117	SHZHFIPHUBPJGS-ZDUSSCGKSA-N	306.414	1.613	50	20	DDGD	
CS(=O)(=O)N1CCC[C@H]1C(=O)NNc1cccc(Cl)c1	48461947	LRZCTCDJECXOKT-NSHDSACASA-N	317.798	1.207	50	20	DDGD	
CCCCCC[C@H](C)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	43000529	KFPKDWIUEBBRJK-JSGCOSHPSA-N	319.471	1.726	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C(=O)Nc2ccc(F)cn2)c1	194349927	DJYSLOTVWALRPI-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@H]2CCCN(C(C)C)C2)o1	84437598	DTPHQTLCQJBNIH-CYBMUJFWSA-N	322.409	1.652	50	20	DDGD	
Cc1ccc(SCCC(=O)NNC(=O)C(C)(C)O)cc1C	190051649	WLFMZQSAISMSQR-UHFFFAOYSA-N	310.419	1.704	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2cccnc2Cl)c1	85684494	BWZVMOJMTBBAAF-UHFFFAOYSA-N	304.737	1.852	50	20	DDGD	
C[C@H]1CC(NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)C[C@H](C)C1	246879347	KDKFLTYCFQZTOF-GYSYKLTISA-N	317.455	1.192	50	20	DDGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCCN(C(N)=O)CC1	255417169	STBJYDYKFMJAMZ-NSIKDUERSA-N	315.333	1.546	50	20	DDGD	
CN(C)c1ccc(C=NNC(=O)CNC(=O)c2ccco2)cc1	254309371	QCFVUGDGCMBHAM-UHFFFAOYSA-N	314.345	1.226	50	20	DDGD	
C=CCN1C(=O)C(=NNC(=O)c2ccc(N)cc2)c2ccccc21	254619741	ZEHJHNAYFASJQR-UHFFFAOYSA-N	320.352	1.936	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CCNC(=O)CC(C)C	266054815	HFFYSGKZXWYQJG-UHFFFAOYSA-N	305.378	1.308	50	20	DDGD	
C[C@H](C(=O)NNc1c(F)cccc1F)N1CCSCC1	269664217	GSXBQLHENLCJGL-SECBINFHSA-N	301.362	1.845	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NC[C@@H]1CCCCO1	265843140	XLJZDMRFNRDQOJ-AWEZNQCLSA-N	321.377	1.103	50	20	DDGD	
CNC(=O)CCCNC(=O)NNc1cccc([N+](=O)[O-])c1C	263983907	RJUBAEMOQXNNOB-UHFFFAOYSA-N	309.326	1.056	50	20	DDGD	
O=C(NNC(=O)N1CCC2(CCOCC2)C1)c1ccccc1	365666605	HPIXMGIVIIHKOF-UHFFFAOYSA-N	303.362	1.544	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CC[C@@H]([C@H]3CCOC3)C2)n1	366874609	VPUMEAUXJIROGQ-OLZOCXBDSA-N	318.377	1.103	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2ccn(C)c2)nc1C	272247029	YLFSLXXSKWOAMO-UHFFFAOYSA-N	303.322	1.057	50	20	DDGD	
C[C@H](C(=O)NNc1ncccc1Cl)n1nnnc1C(C)(C)C	273381662	GCGRUAXTVWOAQI-MRVPVSSYSA-N	323.788	1.723	50	20	DDGD	
CC(C)(C)[C@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1ccco1	277116014	XVZUPLPVWUWVEA-ONGXEEELSA-N	316.379	1.040	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc(F)cc1OC(C)(C)C	274049743	KZMPZPZPYJEXMF-UHFFFAOYSA-N	311.313	1.109	50	20	DDGD	
CCC[C@@H]1C[C@@H](C(=O)NNC(=O)c2cccc(C)n2)CCO1	279879141	XBCGFYCKDNLJHN-QWHCGFSZSA-N	305.378	1.746	50	20	DDGD	
COCCC(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	278518507	KWOSVKQUJYAWKV-VIFPVBQESA-N	300.742	1.291	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H](C)Cn2cccn2)c1	272664587	NUKPJLFJTNYSSW-LLVKDONJSA-N	317.349	1.385	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1cc(C(C)=O)ccc1OC	271250060	DVTYOJQFTBZFOF-UHFFFAOYSA-N	307.350	1.133	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(CSC)cc1	274095539	VKZIYFVWOLCQJP-SNVBAGLBSA-N	323.418	1.682	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H]1CCOC(C)(C)C1	270025485	WMFBFULZJDVCTP-NSHDSACASA-N	321.377	1.597	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cnc3n2CCCC3)n1	378234166	VXHQGFMYPOPMSX-UHFFFAOYSA-N	302.338	1.083	50	20	DDGD	
COCCN(C)NC(=O)c1ccnc(OCc2ccccc2)c1	288427951	HSQATFATMWBRBR-UHFFFAOYSA-N	315.373	1.884	50	20	DDGD	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)C(C)(C)c1ccccc1	286761420	ZIDOQAZPMWVIGQ-QWHCGFSZSA-N	318.373	1.311	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H]1CCn2ccnc2C1	373942952	LWXXBGFPOGCVCS-LBPRGKRZSA-N	313.361	1.607	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCN1CC=CCC1	280328355	VAKBKSCKKCXKNM-UHFFFAOYSA-N	310.829	1.730	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNc1nc(-c2ccccc2)no1	282484756	HIPWRPJMQQXUAU-UMNHJUIQSA-N	302.334	1.993	50	20	DDGD	
CCCOc1cccnc1C(=O)NNC(=O)N=c1cc[nH]cc1	802031170	BIWUTKGQGQMIJY-UHFFFAOYSA-N	315.333	1.154	50	20	DDGD	
CC[C@@H]1NCC[C@H]1C(=O)NNc1nc(-c2ccccc2)no1	290082416	WEVKJCDVENLMKX-NEPJUHHUSA-N	301.350	1.568	50	20	DDGD	
O=C(NC[C@H]1COC2(CCCCC2)O1)NNc1ccncn1	296581690	HXSGMZKPDURHLG-NSHDSACASA-N	307.354	1.179	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNC(=S)NCC1CCC1	805178212	YSNVLMUFIRJOFX-UHFFFAOYSA-N	315.439	1.261	50	20	DDGD	
CCO[C@@H](CNC(=O)NNC(=O)[C@@H]1CCCO1)c1ccccc1	292801812	XPCFILFDGCDLDY-KBPBESRZSA-N	321.377	1.274	50	20	DDGD	
C[C@@H]1CN(CCC(=O)NNC(=O)C2CC(C)(C)C2)C[C@@H](C)O1	806339807	JJOHVIFNYHLUNR-VXGBXAGGSA-N	311.426	1.069	50	20	DDGD	
Cc1cc(C(F)(F)F)nn1CC(=O)NNc1ccnc(F)c1	290610577	FAUCWLZGHDZKGQ-UHFFFAOYSA-N	317.246	1.888	50	20	DDGD	
CC[C@H](C)NC(=O)CCNC(=O)NNc1ncc(F)cc1F	296987321	CKPGFQVTDXUURN-QMMMGPOBSA-N	315.324	1.291	50	20	DDGD	
N#CCCCCCC(=O)NNC(=O)COc1ccc(F)cc1	805150568	MKMIRGPPVVKOLB-UHFFFAOYSA-N	307.325	1.826	50	20	DDGD	
O=C(NCc1cccc2c1OCO2)NNc1cccc(F)n1	804941223	QGVXNYCXHGRPBX-UHFFFAOYSA-N	304.281	1.776	50	20	DDGD	
C[C@H](C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-])S(C)(=O)=O	296194822	TWQXPDQALUHTQZ-ZCFIWIBFSA-N	321.742	1.124	50	20	DDGD	
O=C(NNc1nnc[nH]1)C1(c2ccc(Br)cc2)CC1	294080860	YYHGJZBGVRIFJW-UHFFFAOYSA-N	322.166	1.742	50	20	DDGD	
O=C(NNc1ncccc1F)c1ccc2nnc(S)n2c1	804213744	RYQMFMSBJADIAF-UHFFFAOYSA-N	304.310	1.309	50	20	DDGD	
CC/C(C)=C/C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	294362050	MRRJVCTWJBUCAS-CSKARUKUSA-N	303.362	1.746	50	20	DDGD	
C[C@H](Sc1nncn1C)C(=O)NNc1cccc(Cl)n1	293588235	BRRMRQPCHBFVGZ-ZETCQYMHSA-N	312.786	1.487	50	20	DDGD	
Cc1cc(F)ccc1-n1ccc(C(=O)NNC(=O)CC2CC2)n1	294139523	LOFNXBUZTLMESA-UHFFFAOYSA-N	316.336	1.881	50	20	DDGD	
C[C@@H]1OCC[C@H]1NC(=O)NNC(=O)Nc1cccc(Cl)c1	296351679	CYNLJUULUVWOST-GZMMTYOYSA-N	312.757	1.853	50	20	DDGD	
COCc1ncc(C(=O)NNC(=O)Nc2ccccc2)s1	803392001	BQGRDLJRYXCWMJ-UHFFFAOYSA-N	306.347	1.756	50	20	DDGD	
CSSCCNC(=O)N1CCC(N(C)CCCO)CC1	807234517	KHSNRKFGRTYRKY-UHFFFAOYSA-N	321.512	1.486	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1	294144253	AQCSCZPQCFSNAI-HIFRSBDPSA-N	319.405	1.206	50	20	DDGD	
CS(=O)(=O)c1cc(C(=O)NNc2ncccc2F)cs1	804217470	AEPURLXBVGUGPL-UHFFFAOYSA-N	315.351	1.443	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ncccc2C(F)(F)F)O1	293799475	CSQRGOJPARLBKW-CBAPKCEASA-N	317.267	1.429	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc(N2CCOCC2)cc1	299409790	QKVHQVBGJHUNLP-UHFFFAOYSA-N	305.378	1.330	50	20	DDGD	
CC[C@H](OC)C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	299316719	LNZWXSHIHCRFEW-ZDUSSCGKSA-N	302.334	1.263	50	20	DDGD	
CN(C)S(=O)(=O)c1cc(C(=O)NCC(Cl)Cl)co1	808130704	HKYBXZKXFJXAAE-UHFFFAOYSA-N	315.178	1.063	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)n1	816602407	VXZMKCYNUPYBDT-UHFFFAOYSA-N	312.333	1.205	50	20	DDGD	
O=C(NNC(=O)N1CC2(CCC2)[C@H]1[C@H]1CCCO1)C1CCCC1	811910072	SVBXNKNRCVWEAY-ZIAGYGMSSA-N	321.421	1.951	50	20	DDGD	
CC(C)OC1CC(=NNC(=O)c2cc([N+](=O)[O-])ccc2O)C1	814857623	PTHNXRIDHWMRJV-UHFFFAOYSA-N	307.306	1.974	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)COc1ccc(C)cc1	811633142	KQOAFNAHRLPMAN-ZDUSSCGKSA-N	303.362	1.535	50	20	DDGD	
Cc1cc(NNC(=O)c2cnnc(-c3ccccc3)c2)ncn1	810407662	KCGOPSCNLIVQHV-UHFFFAOYSA-N	306.329	1.999	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NC[C@H]1CCN(C(N)=O)C1	819786638	CLFPDHNSOHZJNO-RKDXNWHRSA-N	320.231	1.313	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1COc2c(Cl)cccc21	814761025	LYKPXEVNIQYGPT-UHFFFAOYSA-N	307.737	1.175	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1cnn(CC(F)F)c1	814952148	MQTLMSIMRPIUCE-UHFFFAOYSA-N	324.287	1.383	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)COc2ccccc2O)[C@@H]1SC	814953495	OWKOEZVKNJRDMD-HIFRSBDPSA-N	324.402	1.784	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNC(=S)NCC1CCC1	810601794	JDVBOGRTMFDRAA-UHFFFAOYSA-N	301.415	1.506	50	20	DDGD	
O=C(CCCC1CC1)NNC(=O)[C@@H]1COc2ccccc2O1	812447919	RXBFUXACTFSQSI-AWEZNQCLSA-N	304.346	1.554	50	20	DDGD	
CCOC(=O)[C@H](NNC(=O)c1cnccn1)c1ccccc1	818347004	MICWZKYQWCBPLX-CYBMUJFWSA-N	300.318	1.015	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=C1CCOc2ccc(Cl)cc21	814957808	QGFPTGURFYZPIE-UHFFFAOYSA-N	304.737	1.909	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1nnc2ccccc2n1	810375033	OISAEGHPIZLOCO-UHFFFAOYSA-N	323.312	1.108	50	20	DDGD	
COCCOCc1ccc(C(=O)NNC(=O)C2CCCC2)cc1	812462181	PJNBSZJSWJSIEP-UHFFFAOYSA-N	320.389	1.801	50	20	DDGD	
CCCCOc1ccc(C=NNC(=O)CN(C)C)cc1OC	727650021	UHRMZBIAGMGMIX-UHFFFAOYSA-N	307.394	1.886	50	20	DDGD	
Cc1nnc(CCC(=O)NNC(=O)Cc2ccccc2C)o1	820974304	DPMHMTBOYMWMFA-UHFFFAOYSA-N	302.334	1.009	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1	827269623	ZGPPKKZGUHLWQA-LQSBQDLSSA-N	307.394	1.130	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC[C@@](C)(c2ccccc2)C1	827821773	VFKDVXSTNFAJRZ-GOSISDBHSA-N	317.433	1.844	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCN(C)[C@@H]2C)cc1C	823518130	MHTRMYWAQCCDHX-UKRRQHHQSA-N	319.405	1.170	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCC[C@@H]2[C@@H]2CCCOC2)cn1	491087736	XSDORNCUIKFPPH-DGCUZWNNSA-N	314.389	1.745	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cccnc1Cl	826448946	UOJAGXNEVPLECH-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CN2CCCC2=O)c(C)c1	725907593	LSNRQJOBGSPQHA-UHFFFAOYSA-N	320.418	1.243	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=S)NCC1CCC1	727277695	PUHSQPZBGJFYIL-UHFFFAOYSA-N	307.419	1.751	50	20	DDGD	
CCC(CC)(CNC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)OC	490977654	ULTRCMONRPLCNF-NTUHNPAUSA-N	318.377	1.423	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1cc2c(cc1Cl)CCC2=O	495585701	YEULNLFVCUGNLQ-UHFFFAOYSA-N	318.738	1.018	50	20	DDGD	
CCC[C@@H](CC)C(=O)NNC(=O)Cc1cn2ccccc2n1	820520263	NOUAUTTVBCPJRA-GFCCVEGCSA-N	302.378	1.851	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=S)NCC2CCC2)c1	727270856	NMRLVWDFMQOZAL-UHFFFAOYSA-N	306.435	1.662	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1cccnc1S	822219093	PWEAZWQXQCTUMY-UHFFFAOYSA-N	312.354	1.926	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNC(=O)NC1CCCCC1	491189958	GPAQKGCIBUIVTH-UHFFFAOYSA-N	314.386	1.128	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C	495629471	SCDRGTDXTSNFFK-JTQLQIEISA-N	315.370	1.505	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)CO1	827607994	VMFGFHGSICFVDM-ZJWDHLRQSA-N	321.421	1.711	50	20	DDGD	
CO[C@@H](CNCc1cccc(B(O)O)c1)c1ccccc1Cl	585028943	SUCKAFGHBKERDL-INIZCTEOSA-N	319.597	1.497	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@H](C)CC(=O)c1ccc(Cl)cc1	823934344	FNCHQMAVRMZWGZ-MNOVXSKESA-N	312.797	1.893	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1oc2ccc(F)cc2c1C	493404355	CEJGLWFQLQAVJV-UHFFFAOYSA-N	316.310	1.820	50	20	DDGD	
CC(C)NC(=O)NNC(=S)NCCCN(C)c1ccccc1	726485110	LPTJBSJIOBRHCF-UHFFFAOYSA-N	323.466	1.600	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCCn1cnc(C#N)n1	490936061	ADSDPCWKYTWKLN-GHXNOFRVSA-N	310.292	1.012	50	20	DDGD	
CCc1ccccc1-n1cc(O)c(C(=O)NNC(=O)N(C)C)n1	824627381	MAHFIGNZYDNVPV-UHFFFAOYSA-N	317.349	1.056	50	20	DDGD	
C[C@@]1(C(=O)NCCOCC(F)(F)F)C[C@H]1Br	905835865	UUJOEWDBAIZIBR-HTRCEHHLSA-N	304.106	1.855	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@]1(c2ccccc2)CCCO1	823367875	CSWQVNZOJDCZKV-CYBMUJFWSA-N	316.279	1.792	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@]1(C(=O)OC(C)(C)C)CC1(C)C	823955739	IOHHCORSNFJTRP-OAHLLOKOSA-N	313.398	1.485	50	20	DDGD	
C[C@]1(c2ccccc2)CCCN(C(=O)c2cccc(B(O)O)c2)C1	584946723	ZFVWOCHYZOSCNP-IBGZPJMESA-N	323.201	1.560	50	20	DDGD	
C[C@@H](CCNC(=O)/C(C#N)=C/c1cnn(C)c1)N1CCCCC1	491100510	BECACLAUAAEXNZ-KNGSKEOJSA-N	315.421	1.708	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(-c2ccccc2Cl)on1	823846190	FADOBQSIQPWZFF-UHFFFAOYSA-N	309.753	1.954	50	20	DDGD	
COC(=O)N(C)NC(=O)C[C@H](NC(C)=O)c1ccc(C)cc1	495692517	INFZPBIEURUTPM-ZDUSSCGKSA-N	307.350	1.292	50	20	DDGD	
O=C(CCCc1nc2ccccc2s1)N1CC[C@@H](B(O)O)C1	585069462	MRHLMGGDWSRKNV-LLVKDONJSA-N	318.207	1.694	50	20	DDGD	
O=C(NC1CCN(S(=O)(=O)CCl)CC1)c1ccccc1	829848203	UMLCGFBVBQXJAU-UHFFFAOYSA-N	316.810	1.407	50	20	DDGD	
Cc1cnccc1C=NNC(=O)NCCNC(=O)OC(C)(C)C	496612020	ZQOLDQVINMKSEO-UHFFFAOYSA-N	321.381	1.548	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NNc2ccc(F)cn2)cc1	731361788	XMIOBYZBVZQKKM-UHFFFAOYSA-N	314.280	1.063	50	20	DDGD	
C[C@@]1(C(=O)N2CCN(c3ncc[nH]3)CC2)C[C@@H]1Br	907762301	AGNOVLVZYHJKNZ-JOYOIKCWSA-N	313.199	1.232	50	20	DDGD	
C=CCOc1ccc(C=NNC(=O)NCC(=O)O)cc1Cl	833377552	BECQKGGSLSHQPD-UHFFFAOYSA-N	311.725	1.623	50	20	DDGD	
COC(=O)Nc1cccc(CNC(=O)NNc2ncccn2)c1	496181250	LOFKEICJRLXMJV-UHFFFAOYSA-N	316.321	1.481	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@H](c1ccccc1)N1CCCC1	584909270	BWTDBRHXDFYVML-KRWDZBQOSA-N	324.189	1.142	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCl)c1cccc(N2CCOC2=O)c1	830206739	WCRKDZSNQOEHMC-SECBINFHSA-N	318.782	1.820	50	20	DDGD	
C[C@H](CNC(=O)c1cccc(B(O)O)c1)Cc1cccs1	584952659	VXLSBLRDNLNFGV-NSHDSACASA-N	303.192	1.037	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)NOC2CCC2)cc1	836570394	UZCMITGHBCFGGH-UHFFFAOYSA-N	307.354	1.572	50	20	DDGD	
COc1ncccc1C(=O)NNC(=O)COc1ccc(C)cc1	906477728	CLISKVQBUQYVBD-UHFFFAOYSA-N	315.329	1.239	50	20	DDGD	
O=C(NNc1ccc(Cl)c(F)c1)NC1CN(C(=O)O)C1	831742892	VAJRPJKJQBZVJD-UHFFFAOYSA-N	302.693	1.467	50	20	DDGD	
COC(=O)[C@@](C)(CO)NC(=O)CCCC[C@@H]1CCSS1	909580763	QMNXZPGVTZMQKG-ZWNOBZJWSA-N	321.464	1.741	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CCC(=O)N[C@@H](C)c1ccccc1	900418300	WZWRHCGVMRAQOC-LBPRGKRZSA-N	320.393	1.383	50	20	DDGD	
CCOC(=O)[C@@H]1CCCN(CC(=O)NCCSSC)C1	908072966	UXKLFPSXJMUXGL-LLVKDONJSA-N	320.480	1.389	50	20	DDGD	
CC[C@H](NCc1ccccc1B(O)O)c1cc(F)ccc1F	585024695	AVUAHJJEQBWWNK-INIZCTEOSA-N	305.133	1.886	50	20	DDGD	
CCCCCCO[C@H](C)C(=O)NNC(=O)Cc1ccncc1	839695759	AWRQDEBXJZDBFE-CYBMUJFWSA-N	307.394	1.757	50	20	DDGD	
CC[C@@H](C)[C@@H](CNC(=O)NNc1ncncc1Cl)OC	836547413	PBORXHSBVJYASZ-PSASIEDQSA-N	301.778	1.817	50	20	DDGD	
O=C(CNC(=O)c1ccncc1)NNc1cc(F)c(F)cc1F	734552359	RFSHFHYAXOXDNA-UHFFFAOYSA-N	324.262	1.372	50	20	DDGD	
Cn1ncc2c1CCCC2=NNC(=O)COc1ccc(C#N)cc1	915945264	XUUPHHLMVCOIOP-UHFFFAOYSA-N	323.356	1.527	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1c(C)nn(C(C)C)c1C	735413313	KOILYOGOBGNUAE-UHFFFAOYSA-N	302.382	1.968	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H](C)C1CCC1	837317256	PBXHOLOLUUCUQA-SNVBAGLBSA-N	300.362	1.840	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCC1(CC)COC1)c1ccccc1	836633236	DBBOLXQFUIYQBS-CQSZACIVSA-N	319.405	1.937	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccnc(OCc2ccccc2)c1	910168851	SCEOMFUSDCQTFL-ZDUSSCGKSA-N	315.373	1.618	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCc1ccccc1Br	910170049	IWGYAEOBNLZNJA-SNVBAGLBSA-N	315.211	1.726	50	20	DDGD	
C[C@H](CC(=O)NNc1cccc([N+](=O)[O-])c1)c1cnn(C)c1	839710156	PYDPXEFPZDSQEC-SNVBAGLBSA-N	303.322	1.965	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1C[C@@]12CCNC2	831834152	BBXGZLHFACPIPY-NOZJJQNGSA-N	310.741	1.691	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cccc(CN(C)C)c1	831212761	VJDRFKFILBTOIF-FZMZJTMJSA-N	320.393	1.326	50	20	DDGD	
CCOC[C@@H]1CN(C(=O)[C@]2(C)C[C@@H]2Br)CCO1	913150322	SGOMWGYSKTWPIV-JBLDHEPKSA-N	306.200	1.424	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCCOCc1ccccc1	843646606	JOSXUZJSKXNNRI-HIFRSBDPSA-N	320.389	1.556	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2ccc[n+]([O-])c2)cc1C	913434498	ZOZVBWZDWVUOPK-UHFFFAOYSA-N	316.386	1.568	50	20	DDGD	
CC(C)NC(=O)NNS(=O)(=O)c1cccc2scnc12	840912938	ZWVPVLUZNGNXTB-UHFFFAOYSA-N	314.392	1.197	50	20	DDGD	
C[C@@H]1CCNC(=O)[C@@H]1NS(=O)(=O)c1ccc(CCl)cc1	915226689	YRSSCTNMWDZCPO-BXKDBHETSA-N	316.810	1.228	50	20	DDGD	
CN(C)[C@@H](C(=O)NNC(=O)C1CCC1)c1ccc(Cl)cc1	847482083	QLPGAUFPUKRNKD-CYBMUJFWSA-N	309.797	1.890	50	20	DDGD	
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NNC(=O)C(C)C	748641389	WONSJEYTDULVSQ-UHFFFAOYSA-N	315.351	1.177	50	20	DDGD	
CNC(=O)c1ccc(C(=O)NNc2cccc3cnccc23)cn1	748773225	DJPNIZZZEDOVJM-UHFFFAOYSA-N	321.340	1.746	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=Cc1cncn1CC	841609430	WSHGCEVWSBIKQE-UHFFFAOYSA-N	324.388	1.965	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC2CCCC2)c(N)c([N+](=O)[O-])c1	749362270	HUIDZNYOSUGXJR-UHFFFAOYSA-N	321.337	1.372	50	20	DDGD	
CCc1c(C(=O)NN(C)C[C@H](C)O)cnn1-c1ccccc1	910174391	SPPUJDBZVNXBIB-LBPRGKRZSA-N	302.378	1.392	50	20	DDGD	
CO[C@](C)(C1CC1)[C@H](C)NC(=O)NNC(=O)[C@@H]1CCCCO1	840423857	KJUCDUURXBMIIO-WBIUFABUSA-N	313.398	1.090	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@H](O)c1cccc(C(F)(F)F)c1	910159041	ZCJHZKJBQRRMIL-LDYMZIIASA-N	306.284	1.083	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cnc(F)c(Br)c1	847346602	ZLHDPKUZPYHBHN-UHFFFAOYSA-N	318.146	1.790	50	20	DDGD	
CCCCNC(=S)NNC(=O)c1cc([N+](=O)[O-])ccc1O	743059773	QNPSZGLVSYRQTP-UHFFFAOYSA-N	312.351	1.209	50	20	DDGD	
COc1cc(C(C)=NNC(=O)C(N)=O)ccc1SC(F)F	746484913	NYQPZINVYDTFER-UHFFFAOYSA-N	317.317	1.335	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H]2COc3ccccc3O2)n1	747980791	YFQQZPAUISQIDO-LLVKDONJSA-N	320.736	1.722	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1nncc2ccccc12	842536050	ORIRIMVPYYBCNI-SECBINFHSA-N	304.375	1.668	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCOc2cc(F)ccc21	744407105	LGVVYXPRVUUNGX-UHFFFAOYSA-N	309.341	1.218	50	20	DDGD	
CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)NN(C)C[C@@H](C)O	910165293	JNNUBVCATAVRTE-IAQYHMDHSA-N	317.430	1.414	50	20	DDGD	
Cc1nsc(NC2CC2)c1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843970372	FEHIXXCUKFQDLY-WCBMZHEXSA-N	324.406	1.212	50	20	DDGD	
CC(C)[C@@H]1CCCC1=NNC(=O)N[C@H]1CCS(=O)(=O)C1	747753606	JYZGTKDZMKSFAS-QWRGUYRKSA-N	301.412	1.285	50	20	DDGD	
Cc1ccn2cc(CNC(=O)NNC(=O)CC(C)C)nc2c1	918236281	ZSNUKLOJCDRARF-UHFFFAOYSA-N	303.366	1.519	50	20	DDGD	
Cc1c(NNC(=O)CCCCCNC(N)=O)cccc1[N+](=O)[O-]	748674014	WPIJUJVUNNIERR-UHFFFAOYSA-N	323.353	1.575	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@]1(C(=O)OC(C)(C)C)CC=CCC1	845300811	YPPUJWWLFZVGOS-OAHLLOKOSA-N	311.382	1.405	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1CC(c2ccc(F)cc2)C1	843662761	UZBDEMHIOXXJBK-DPBOGPHSSA-N	320.364	1.892	50	20	DDGD	
C[C@H](C(=O)NNc1nc(-c2cccnc2)no1)C(F)(F)F	742658328	OXUIUAYUVVYSBM-ZCFIWIBFSA-N	301.228	1.773	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cnc2c(c1)C[C@@H](N)CC2	841322128	OCBLSMVTWYVOGT-KOLCDFICSA-N	305.382	1.096	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=C1C[C@@H](C)n2ncnc21	841606383	GHPPKDHGDVLXND-LLVKDONJSA-N	313.361	1.705	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1cc(C(=O)OCC)n[nH]1	843265478	NSTQPODUTSGUJF-FLIBITNWSA-N	320.349	1.036	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cc(C2CC2)n(C)n1	741924573	GIKNQOUSXINXTC-UHFFFAOYSA-N	314.345	1.381	50	20	DDGD	
Cn1nccc1C(=O)COC(=O)[C@@H](Br)C(C)(C)C	848742351	AOLVGUHJZUEVHU-SNVBAGLBSA-N	317.183	1.956	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(OC(C)C)c(C(C)=O)c1	848973938	BOENXWSMOLFTMH-UHFFFAOYSA-N	308.378	1.899	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N=S2(=O)CCCC2)cc(C#N)n1C	925933128	WALNTOAXMYEJSC-QPEQYQDCSA-N	316.386	1.901	50	20	DDGD	
CN1CC[C@H]1CNC(=O)NNC(=O)CCCc1ccccc1	925406244	DAHYSKLSWONFKA-AWEZNQCLSA-N	304.394	1.044	50	20	DDGD	
Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNC(=O)c1cccc(F)n1	856425046	XJAGILPMILEGEC-MRVPVSSYSA-N	319.340	1.136	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1ccc(C2CC2)nn1	757699667	JBVOHTWNPPVQAQ-UHFFFAOYSA-N	312.333	1.144	50	20	DDGD	
N#Cc1cccc(C=NNC(=O)CNC(=O)c2cccs2)c1	750944213	UUQJWBNITUUEOM-UHFFFAOYSA-N	312.354	1.500	50	20	DDGD	
CCCNC(=O)NNC(=O)Cc1cc2ccccc2nc1O	921038174	IEWVVGLCWYOEOD-UHFFFAOYSA-N	302.334	1.223	50	20	DDGD	
Cc1noc(CNC(=O)NC[C@@]2(C)C[C@H]2Br)n1	856838409	GVDGFVSBTMALGW-GMSGAONNSA-N	303.160	1.351	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)NCCCC1CCC1	852585042	WZHJMWXDEFMIOB-UHFFFAOYSA-N	321.377	1.682	50	20	DDGD	
O=C(CN1CCCC1=O)NNC(=O)c1cc2c(s1)CCCC2	920825490	BPSXGYRMSDVXFM-UHFFFAOYSA-N	321.402	1.010	50	20	DDGD	
CCCc1nc(C(=O)NNc2nc(-c3ccncc3)no2)co1	758805323	FRBNYAGIIVZCAQ-UHFFFAOYSA-N	314.305	1.829	50	20	DDGD	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NN=CC2CC2)cc1	755519403	KVLOLPBVDQZYNQ-UHFFFAOYSA-N	309.391	1.128	50	20	DDGD	
Cc1ccc(NCCNC(=O)NNC(=O)CC(F)(F)F)nc1	927464045	WJRGDIJXAHUPNF-UHFFFAOYSA-N	319.287	1.085	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cccc3nc[nH]c23)nc1	759728848	KPJHDGOOEWKKQC-UHFFFAOYSA-N	311.301	1.501	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cccc(-n2cccn2)c1	755931584	FAYUPWSBOUDYEK-UHFFFAOYSA-N	303.322	1.062	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=Cc2cccc(C(N)=O)c2)cc1	755509986	BGYGZSBKNWRKJN-UHFFFAOYSA-N	322.324	1.186	50	20	DDGD	
CN(C)C(=O)c1ccc(NC[C@@]2(C)C[C@@H]2Br)nn1	856786823	KAFSAAROZFRHJW-JOYOIKCWSA-N	313.199	1.764	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cc(O)ccc1Cl)C1CC1	855098295	DOQFWWUTQWXGFQ-ZETCQYMHSA-N	313.810	1.953	50	20	DDGD	
CN1CC[C@H](C(=O)NC[C@@]2(C)C[C@@H]2Br)CC1=O	857400871	WXJBMGNGKQYKEM-HOTUBEGUSA-N	303.200	1.145	50	20	DDGD	
CC1(C)CC(=NNC(=O)CNC(=O)c2cccs2)C(C)(C)O1	755890756	ZSXNHYPLURCJEC-UHFFFAOYSA-N	323.418	1.928	50	20	DDGD	
Cc1ccccc1[C@@H](CO)N(C)C(=O)/C(C#N)=C/c1cnn(C)c1	923719359	KKEDHOMESZRDMS-YBYKNVHQSA-N	324.384	1.828	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)[C@@H]1CCCCO1)C1CCCC1	852659678	UVNKSRIOSIQXOT-QWHCGFSZSA-N	313.398	1.091	50	20	DDGD	
Nc1ccc2c(c1)CCC[C@@H]2NS(=O)(=O)CBr	850588153	UYFZAMNGRKERNL-NSHDSACASA-N	319.224	1.918	50	20	DDGD	
C[C@@]1(CNC(=O)N2CCC[C@@H]3COC[C@@H]32)C[C@H]1Br	856892301	DPJLXXUCRXCLSP-XZUYRWCXSA-N	317.227	1.980	50	20	DDGD	
Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@]1(C)C[C@@H]1Br	857395990	WTLOUNYEKYUCSY-XVKPBYJWSA-N	317.143	1.232	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)c1ccc(N2CCCC2)nn1	857355852	AIWDVLRBWBEGGQ-UHFFFAOYSA-N	319.756	1.277	50	20	DDGD	
N#CCc1ccc(C(=O)NNC(=O)c2ccc(C#N)cc2)cc1	758881574	ATECWYWESZJXPY-UHFFFAOYSA-N	304.309	1.699	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1F	853683117	MOEBUODFNPRWPZ-KGLIPLIRSA-N	322.384	1.623	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1cc(Cl)ccc1F	753698873	ZTBMPABAMFQOGE-UHFFFAOYSA-N	323.711	1.952	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1O	754628989	HKAVHTPKVWXKEU-UHFFFAOYSA-N	315.285	1.684	50	20	DDGD	
Cn1nc(CNC(=O)NNC(=O)CC(C)(C)C)c2ccccc21	759357356	SKAOPVKTXKUDPU-UHFFFAOYSA-N	317.393	1.840	50	20	DDGD	
O=C(NNC(=O)c1nc[nH]c1C(F)(F)F)OCC(F)(F)F	856025826	AWCQKRQQLBLWRZ-UHFFFAOYSA-N	320.149	1.362	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@H](C(=O)O)C2CCC2)o1	854235724	DKZJCQFXYWZKCO-SNVBAGLBSA-N	309.322	1.033	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=CC1CCOCC1	755524507	JNGLAHUUZMJUGS-UHFFFAOYSA-N	300.362	1.873	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)/C=C\c1ccc(O)cc1	854283875	NRFBARIFWRVBIC-TWGQIWQCSA-N	323.418	1.279	50	20	DDGD	
O=C(C[C@@H]1CC(=O)NC1=O)NNc1ccc(C(F)(F)F)cc1	935022474	HTUXEGXRDCNJAN-ZETCQYMHSA-N	315.251	1.201	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2[nH]cnc2Br)CC1	867069043	FMLRRTNZSZQYTR-UHFFFAOYSA-N	317.168	1.017	50	20	DDGD	
CCOC(=O)Nc1ccc(F)c(C(=O)NNC(=O)N(C)C)c1	931120373	ZOJGVSUKRKCPMB-UHFFFAOYSA-N	312.301	1.310	50	20	DDGD	
N#Cc1ccc(COc2ccc(B(O)O)cc2)c(OC(F)F)c1	864048198	GCJDLNGABQHIGP-UHFFFAOYSA-N	319.072	1.418	50	20	DDGD	
C[C@H](CN1CCCCCC1)C(=O)NN=Cc1cccnc1N	764667104	PFKUDWZKUPZAEU-CYBMUJFWSA-N	303.410	1.626	50	20	DDGD	
C[C@H](CCc1ccc(F)cc1)C(=O)NNC(=O)c1cc[nH]n1	869238964	JSJJILZCSLIPSO-SNVBAGLBSA-N	304.325	1.579	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NC[C@@H]1CCN(C2CC2)C1	866483578	INNHFMMORUYBCO-NSHDSACASA-N	308.875	1.655	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(OC)c(Cl)n1	767324490	SRUBUYQRIHLZIM-UHFFFAOYSA-N	300.746	1.488	50	20	DDGD	
CN(C)S(=O)(=O)CCC(=O)NNc1cccc(F)c1Cl	862507302	ZCWRTOODTFZXMH-UHFFFAOYSA-N	323.777	1.204	50	20	DDGD	
Cc1cc(=NNC(=O)COCCOc2ccccc2)cc[nH]1	862510805	UAZXEJOIYUMJBY-UHFFFAOYSA-N	301.346	1.351	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cccc(OCCF)c1	930381100	CRQNYPWCIWPZPH-UHFFFAOYSA-N	307.325	1.991	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CSC2=N[C@H](C)CS2)cc1	766296122	QBLVHIFSMVZBBM-SNVBAGLBSA-N	323.443	1.981	50	20	DDGD	
CO[C@@](C)(C(=O)NN=c1cc[nH]c(C)c1)C(=O)OC(C)(C)C	862515766	BTGPIAISIVCOOR-HNNXBMFYSA-N	309.366	1.002	50	20	DDGD	
CO[C@@H]1COC[C@@H]1NC(=O)NNc1nc2c(C)cccc2s1	868698301	SDBUIWYGZMQDGW-VHSXEESVSA-N	322.390	1.645	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)Nc1nc2ccccn2n1	860895865	ZVCITNBDLGFRCJ-UHFFFAOYSA-N	324.213	1.553	50	20	DDGD	
C[C@H](NC(=O)[C@@H](Br)C(C)(C)C)[C@H]1CN(C)CCO1	768296803	GBZLCJOALHMERK-HBNTYKKESA-N	321.259	1.631	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(CC(C)C)c1ccccn1	760261000	UOWQXSRRLFAHGN-CYBMUJFWSA-N	307.394	2.000	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cn(-c2ccc(F)cc2C)nn1	767335073	QZZUBIHRHRIODE-UHFFFAOYSA-N	320.328	1.069	50	20	DDGD	
Cc1nn(CC(F)F)c(C)c1C(=O)NNC(=O)c1ccccn1	760797911	AKQROKFUJKOKIN-UHFFFAOYSA-N	323.303	1.235	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1	765914261	BFESJQNEFWQSEO-KGLIPLIRSA-N	321.377	1.274	50	20	DDGD	
C[C@H]1CCC[C@@H]1CC(=O)OCC(=O)NNC(=O)c1cccs1	769175207	FGKVMGXUCXNAGU-WDEREUQCSA-N	324.402	1.879	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(C(=O)OC)cc1N(C)C	879354713	MJRDUEDCWASORW-UHFFFAOYSA-N	324.381	1.154	50	20	DDGD	
COCCc1ncc(C=NNC(=O)Cc2cccnc2)s1	872349384	RVMTZJUHIGJDNJ-UHFFFAOYSA-N	304.375	1.420	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1ccc(-n2cccn2)cc1	779815803	BDNVPJLGDKIWAU-UHFFFAOYSA-N	315.333	1.069	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNC(=O)CNc1ccccc1)C(C)C	878017158	GVMGWWYTHZYNMA-AWEZNQCLSA-N	321.377	1.081	50	20	DDGD	
COCCNC(=O)NNc1ccc(Br)c(F)c1	771286405	IJCLKZJDTCXGHX-UHFFFAOYSA-N	306.135	1.861	50	20	DDGD	
Cc1ccc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)cc1F	771911784	OOOPTAFUUMVONX-LLVKDONJSA-N	324.352	1.873	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cc(N2CCOCC2)ccc1C	879460761	QINXOZSPQUQGFB-UHFFFAOYSA-N	322.365	1.566	50	20	DDGD	
COc1ccc([C@@H](CO)CNS(=O)(=O)CCCCl)cc1	882250747	HTADUNQTPJHBRG-GFCCVEGCSA-N	321.826	1.319	50	20	DDGD	
COCCO[C@@H]1COCC[C@@H]1NC(=O)NN(C)c1ccccc1	776945456	ZGTRZWJYSCVYCE-LSDHHAIUSA-N	323.393	1.158	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1	775834483	SXALKYKZYALFRY-RYUDHWBXSA-N	306.410	1.349	50	20	DDGD	
CC[C@@H](CO)C(=O)NNC(=O)Cc1cccc2ccccc12	779734297	UUYWJJKCAHLIDP-LBPRGKRZSA-N	300.358	1.548	50	20	DDGD	
C[C@H]1C[C@H](CNC(=O)NNC(=O)CCc2ccccc2)CCO1	770825118	ACESTUVCBAVVNM-DZGCQCFKSA-N	319.405	1.765	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)COCc1ccccc1	770605560	NYDRKYCYRQHDMN-UHFFFAOYSA-N	300.362	1.649	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2cccc(C(F)(F)F)n2)C1=O	776158734	YDWVZYAYNMMHEP-SSDOTTSWSA-N	302.256	1.022	50	20	DDGD	
COCC(=O)Nc1ccc(NC(=O)NNc2ccccn2)cc1	779019225	ROUGAGJJIPYBFX-UHFFFAOYSA-N	315.333	1.815	50	20	DDGD	
O=C1CSC[C@@H](C(=O)NNc2ccc(F)cc2Cl)N1	885139967	MKNMVZGVECOWHH-VIFPVBQESA-N	303.746	1.154	50	20	DDGD	
COC(C)(C)CC(=O)NNC(=O)c1cccc(OC(F)F)c1	783263588	RKXUMLFQBRJBDZ-UHFFFAOYSA-N	316.304	1.864	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)O[C@@H]1CCN(CC(F)(F)F)C1=O	786680970	PBDGSNMKAIPGSJ-HYHWUIIZSA-N	302.252	1.553	50	20	DDGD	
O[C@H](Cc1cn(/C=C/CBr)nn1)c1ccccn1	881294761	CBUSIWZGXPXRDI-QDBLGGKGSA-N	309.167	1.815	50	20	DDGD	
O=C(Cc1ccc(Cl)c(F)c1)NNC(=O)C1CCOCC1	883069880	ZLKLJPKTCKQNCN-UHFFFAOYSA-N	314.744	1.596	50	20	DDGD	
NC(=O)c1ccccc1C=NNC(=O)CNc1ccccc1F	788699525	XZPUHFKSKYLZRJ-UHFFFAOYSA-N	314.320	1.487	50	20	DDGD	
COc1ccc2c(c1)CC[C@H](C(=O)NNc1ncncc1F)C2	880100932	VZCOEDFMSKJSLA-LBPRGKRZSA-N	316.336	1.873	50	20	DDGD	
CC(C)S(=O)(=O)CC(=O)NNc1c(F)cc(F)cc1F	885150604	DBQWOTBUEYXJII-UHFFFAOYSA-N	310.297	1.370	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2C[C@@H]3C[C@]3(CO)C2)cc1	783815250	WYVQUSSZMGDFBI-MDBFNLDPSA-N	312.369	1.833	50	20	DDGD	
O=S(=O)(CCCCl)N1CCC[C@H]1CN1CCCCC1	881859482	VFXWUZMMAONDDT-ZDUSSCGKSA-N	308.875	1.895	50	20	DDGD	
Cc1ccc(Br)nc1C(=O)NNC(=O)C(C)C	786688338	PKHNQRXKRSLEMP-UHFFFAOYSA-N	300.156	1.570	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1COCC[C@@H]1c1ccccc1	887150276	DTPACWXZPFTHNA-HZPDHXFCSA-N	314.385	1.758	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1cccc2c1OC(C)(C)C2	789399426	MKMCKBDVAOCZPZ-UHFFFAOYSA-N	306.366	1.114	50	20	DDGD	
Cc1nc(NC(=O)NNC(=S)NC(C2CC2)C2CC2)no1	781109518	CQDHPXDURANTKC-UHFFFAOYSA-N	310.383	1.067	50	20	DDGD	
COc1ccccc1NC(=O)C(=O)NNc1ccc(Cl)nc1	784869819	NKTZDOLEEPQOPP-UHFFFAOYSA-N	320.736	1.825	50	20	DDGD	
NC(=O)[C@@H](NS(=O)(=O)CCCCCl)c1ccccc1	275552380	NMIXEDHDIDBOMH-NSHDSACASA-N	304.799	1.151	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc(NCC2CC2)nc1	899995840	HFXQCBFEXIMNTH-UHFFFAOYSA-N	321.450	1.811	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1ccn(CC(F)F)n1	784764870	DNBBTALHFIYSFT-UHFFFAOYSA-N	309.276	1.230	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2CS(=O)(=O)C[C@H]2C)cc1F	890496139	POVNARRFRFZQKA-SKDRFNHKSA-N	315.370	1.193	50	20	DDGD	
CCc1c(NC(=O)NNC(=O)CN(C)C)cnn1C(CC)CC	792496656	LWEAHQXOEHOLQK-UHFFFAOYSA-N	324.429	1.521	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@H]1CCCc2c(O)cccc21	791257032	GCZOTSPONQNFKN-ZDUSSCGKSA-N	323.356	1.998	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1ccc2c(c1)NC(=O)CO2	792216390	UXYYRERKDDALFV-UHFFFAOYSA-N	313.317	1.870	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc2oc(C)nc2c1	795678193	HDHRIHJFRHTVDJ-QMMMGPOBSA-N	319.317	1.239	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@H]1CCC(F)(F)C1	795244750	URSBCGQSKOJIAM-QMMMGPOBSA-N	321.324	1.094	50	20	DDGD	
Cc1cn2c(C=NNC(=O)N3CCN(C)CC3)c(C)nc2s1	790176745	SPHIKWPSZCTTBB-UHFFFAOYSA-N	320.422	1.304	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCCOCCN(C)C	799629179	RMJQVMHKBPOXSI-UHFFFAOYSA-N	308.426	1.762	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)c2ccccn2)c1F	794606076	WPSZZOAPENEJNN-UHFFFAOYSA-N	317.320	1.623	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc(=O)c2ccc(F)cc2o1	795589309	WSTFLMDVZPBCMD-UHFFFAOYSA-N	319.292	1.286	50	20	DDGD	
CCN1CCC(=NNC(=O)c2n[nH]c3c2CCCC3)[C@H](C)C1	1318686515	WUUOEFFMZQLOKJ-LLVKDONJSA-N	303.410	1.736	50	20	DDGD	
CC(C)CCN1C(=O)C(=NNC(=O)CCO)c2ccccc21	1318923881	PWKWUYXWCYYXRA-UHFFFAOYSA-N	303.362	1.282	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@H](C)C(=O)NNC(=S)NC(C)C	1319082827	IWPIDDWOLWJSOJ-VIFPVBQESA-N	311.455	1.119	50	20	DDGD	
CN(C)c1cc(C(=O)NNc2ccn(C)n2)c2ccccc2n1	1321104494	HXHAJIGVNJTHFG-UHFFFAOYSA-N	310.361	1.791	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(C#N)c(O)c2)cc1	1320923793	VANHFJYGOCFPNC-UHFFFAOYSA-N	311.297	1.347	50	20	DDGD	
C=C[C@H](COC)NC(=O)NNc1ncc(Br)cn1	1326777631	OGMNNVUQKTUOFX-MRVPVSSYSA-N	316.159	1.066	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2Cl)CCN1	1325326265	PPGHBZHTOHTKLQ-UWVGGRQHSA-N	310.785	1.425	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NNC(=O)CC2CC2)c(C)c1	1320239156	WIKSKDCANMAMTC-UHFFFAOYSA-N	304.350	1.307	50	20	DDGD	
CC(=NNC(=O)CCO)[C@H]1CCCCN1C(=O)OC(C)(C)C	1328091177	LGEZMXZKZGMGLU-GFCCVEGCSA-N	313.398	1.651	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc(C(=O)NC2CC2)cc1	1253671271	JBMGUDGTKPXWDK-UHFFFAOYSA-N	320.418	1.096	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cnn(C2CCCC2)c1C	1262345360	JTGWFEROMPAZSD-UHFFFAOYSA-N	302.378	1.871	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2conc2C2CC2)cc1	1343482678	GVCWMEBNWCLLBA-UHFFFAOYSA-N	301.302	1.635	50	20	DDGD	
O=C(NN=C1CCOC[C@@H]1CN1CCCCC1)c1cccnn1	1353080808	RNURTHCIRHOWOV-ZDUSSCGKSA-N	317.393	1.085	50	20	DDGD	
CC[C@@H](C)n1nccc1C(=O)NNC(=O)c1ccc(Cl)nc1	1520799878	IDTVJRPOOQWVEH-SECBINFHSA-N	321.768	1.977	50	20	DDGD	
O=C(O)COc1cccc(C(=O)NNC(=O)NC2CCCC2)c1	1608763050	LIQPZMNQXHMCNC-UHFFFAOYSA-N	321.333	1.037	50	20	DDGD	
O=C(NCCCCn1ccnc1)NNc1cccc(C(=O)O)c1	1601498444	QSJVHLRYTMFUTP-UHFFFAOYSA-N	317.349	1.688	50	20	DDGD	
Cc1cc(=NNC(=O)Nc2cc(C(=O)O)c(F)cc2F)cc[nH]1	1607696039	WDCIPUUMWWHBCS-UHFFFAOYSA-N	322.271	1.937	50	20	DDGD	
CC(C)C[C@H](C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	1603260415	YPTFWBAYLTVDMR-JTQLQIEISA-N	316.365	1.310	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2CCn3ccnc3C2)cccc1C(=O)O	1600052881	WDEAOJGXYWLEKU-LLVKDONJSA-N	314.345	1.595	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cc(COC)cc(C(=O)O)c1	1604919675	XSVOCQQQGQIVKE-VIFPVBQESA-N	323.349	1.730	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)C(=O)Nc1ccc(F)cn1	1608480441	KPWXTYRNVHLKTQ-UHFFFAOYSA-N	318.264	1.001	50	20	DDGD	
O=C(NCCCC(F)F)NNc1cccc(-c2nn[nH]n2)c1	1606763354	GDJAYOICLDRSIB-UHFFFAOYSA-N	311.296	1.538	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccccc2-c2cn[nH]c2)nc1	1608904679	DLIOOHSJOGLGEB-UHFFFAOYSA-N	323.312	1.927	50	20	DDGD	
O=C(NNC(=O)c1cccc(C(=O)O)n1)c1cccc(Cl)c1	1610700559	RMQLEHIPBOFVFL-UHFFFAOYSA-N	319.704	1.508	50	20	DDGD	
NC[C@@H](NC(=O)NNc1cccc(C(=O)O)c1)C1CCCC1	1610643251	DQEYAJQXMXTPBD-CYBMUJFWSA-N	306.366	1.528	50	20	DDGD	
Nc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cc1Cl	1549316396	FYGPWEQBAGJVGT-RISCZKNCSA-N	322.796	1.236	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)C(=O)Nc1cncc(F)c1	1610700894	YHNKVLKZSLIEQO-UHFFFAOYSA-N	318.264	1.001	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C=NNC(=O)c1cccnn1	1552925170	HUSNYPSMSDTWRH-BXUZGUMPSA-N	314.349	1.094	50	20	DDGD	
CC[C@H]1NCC[C@@H]1NC(=O)NC[C@@]1(C)C[C@@H]1Br	1578239101	RHHZLZIGFKEXBS-FYLLDIAZSA-N	304.232	1.600	50	20	DDGD	
C=CCCn1cc(C(=O)NNc2ccc(F)c(C(=O)O)c2)nn1	1573360101	HDFVHGZAYLPJPK-UHFFFAOYSA-N	319.296	1.448	50	20	DDGD	
CN(NC(=O)Nc1cscc1Cl)C(=O)N1CCNCC1	1578506056	FOGMRDOPTCZOQO-UHFFFAOYSA-N	317.802	1.395	50	20	DDGD	
O=C(/C=C/[C@H]1CCCNC1)NNC(=O)c1cccc2ncccc12	1580495250	YKXUZZGUWPZVCA-MMQHEFTJSA-N	324.384	1.552	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(F)c(C(=O)O)c1)c1cnccn1	1589423644	ONHSJUZBMRIRCP-MRVPVSSYSA-N	304.281	1.561	50	20	DDGD	
C=C(CCC(=O)O)C(=O)NNc1ccc(C(F)(F)F)nn1	1588630275	HJXSXEXMLOUHQC-UHFFFAOYSA-N	304.228	1.360	50	20	DDGD	
COCCCC(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1599224883	YCDPNNJBVCOIEY-UHFFFAOYSA-N	301.368	1.006	50	20	DDGD	
CO[C@H](C)C(=O)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846389197	OHDQNELNWKIRFE-MRVPVSSYSA-N	309.193	1.028	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2(CC(=O)O)CCC2)c1C	1593898378	SSQAFLLDELQVBD-UHFFFAOYSA-N	320.345	1.870	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1ccnc(O)c1	1599376983	XIDHCVWSPIGKHF-UHFFFAOYSA-N	303.274	1.251	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)c1cnc(C(=O)O)cn1	1594059385	LDJMGEMMTRTWIL-UHFFFAOYSA-N	306.253	1.079	50	20	DDGD	
C[C@H]1CN(/C(=C\C#N)c2cccc([N+](=O)[O-])c2)C[C@@H](C(=O)O)O1	1599908914	FYZPHZAMYXJBJV-FWBGNYOCSA-N	317.301	1.633	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@]1(C(=O)O)C[C@@H]1c1ccccc1	1590232640	JMWDLNTWADBMCM-BDJLRTHQSA-N	320.345	1.801	50	20	DDGD	
C[C@H](Cn1cccn1)NC(=O)NNc1cccc(C(=O)O)c1	1592925827	IGSYNYTUDCSPNN-SNVBAGLBSA-N	303.322	1.296	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)C(=O)c1ccccc1	1593165831	IFFAOMRDLRSWLU-UHFFFAOYSA-N	308.301	1.193	50	20	DDGD	
CCn1ncc(C(=O)NNc2cccc(C(=O)O)c2F)c1C	1597953710	ORTUPGQCFOOPAN-UHFFFAOYSA-N	306.297	1.806	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1ccc(C#N)cc1	15895004	SFOLXPWVYOLTPQ-UHFFFAOYSA-N	323.352	1.961	50	20	DDGD	
C[C@@H](CC#N)N(C)CC(=O)NNC(=O)c1ccccc1Cl	161722903	SUDMUPWMMWFKPJ-JTQLQIEISA-N	308.769	1.335	50	20	DDGD	
COC(=O)NNC(=O)[C@H](C)Oc1ccccc1Br	158908308	BQCAYTKFBZLQNW-ZETCQYMHSA-N	317.139	1.604	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1	152498494	LJBBCZYEVBECQC-UHFFFAOYSA-N	315.264	1.945	50	20	DDGD	
N#Cc1cccc(NNC(=O)CNC(=O)COc2ccccc2)c1	152501357	DXGBEUPQVAHJGO-UHFFFAOYSA-N	324.340	1.197	50	20	DDGD	
CC[C@@H](CO)N(C)S(=O)(=O)c1ccc(CCCl)cc1	380929166	UREJYKQBYKNUNK-LBPRGKRZSA-N	305.827	1.859	50	20	DDGD	
CN(C[C@H](O)COCc1ccccc1)S(=O)(=O)CCl	830614681	MXXPPAWUALRSKN-LBPRGKRZSA-N	307.799	1.022	50	20	DDGD	
CN(C[C@H]1CCNC(=O)CC1)NC(=O)OCc1ccccc1	859386708	ZPIKBOMQWWORQI-CYBMUJFWSA-N	305.378	1.676	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCc1ccncc1	56534233	HUQREMLBAWMXRD-UHFFFAOYSA-N	314.345	1.163	50	20	DDGD	
Cc1ccc(C(=O)NNc2nc(-c3ccncc3)no2)c(O)c1	102185752	ZORJELJUEUYLHC-UHFFFAOYSA-N	311.301	1.903	50	20	DDGD	
C=CCCC(=O)NNc1nc(Br)cn2ccnc12	176191051	DCKJJXDLERYCGO-UHFFFAOYSA-N	310.155	1.901	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2cn(C)nc2C)c1	113459665	LMMKEGXSQNNXCW-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
Cc1cccc([C@@H]2CCCN2CC(=O)NNC(=O)C2CC2)c1	112977488	IEQPTRFMTXUTRG-HNNXBMFYSA-N	301.390	1.689	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cnn(C)c1C)c1ccccc1	110340807	LEXQZRWACWCZGY-ZDUSSCGKSA-N	300.362	1.683	50	20	DDGD	
Cc1cnn(CCC(=O)NNc2nc(-c3ccccc3)no2)c1	102789931	KSGOYLXVAQKAMG-UHFFFAOYSA-N	312.333	1.775	50	20	DDGD	
CCCCCC[C@@H](C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1	172702836	JKFVLCXQJIBOBJ-VXGBXAGGSA-N	318.439	1.175	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCCc1ccc(F)cc1	103504509	ABGLPPOZYADOBK-UHFFFAOYSA-N	316.336	1.336	50	20	DDGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CCCOCC1	59974704	IEVGMIVXWSRFBA-UHFFFAOYSA-N	303.811	1.879	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NC1CCN(Cc2ccccn2)CC1	55007942	ZJMIESGSBOPSLG-OWBHPGMISA-N	314.389	1.606	50	20	DDGD	
CN(CCC1CCOCC1)S(=O)(=O)CBr	782472285	NWCXAPHKAZUNRD-UHFFFAOYSA-N	300.218	1.417	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)[C@H]1CC(=O)N(c2cn[nH]c2)C1	178208286	LUPLVCJATLTPBU-QMMMGPOBSA-N	321.287	1.184	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C2CCC(Cl)CC2)C1	1347717084	OALOPVNWPOHKAH-RUJICJSRSA-N	303.786	1.166	50	20	DDGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)C1(O)CCC1	119063773	GZBUZMBDUXMTJM-UHFFFAOYSA-N	314.794	1.495	50	20	DDGD	
COCCCCCNC(=O)NNC(=O)c1ccc(C#N)cc1	64229109	HADPPAHANVYSMN-UHFFFAOYSA-N	304.350	1.319	50	20	DDGD	
O=C(CNCC(F)(F)F)NNC(=O)c1cccc(Cl)c1	176707143	SLEIXCCEWIDPLC-UHFFFAOYSA-N	309.675	1.253	50	20	DDGD	
CN(C)[C@@H]1CCC[C@H](NC(=O)NNC(=O)c2ccccc2)C1	176620729	JHBVZGKFYDPGIZ-UONOGXRCSA-N	304.394	1.503	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])o2)cc1	61474786	AZVRIJPNECZMEA-UHFFFAOYSA-N	300.230	1.134	50	20	DDGD	
CCN(CC)CCCNC(=O)NNC(=O)c1ccc(C#N)cc1	61794614	PXGYWBKIWRHZFL-UHFFFAOYSA-N	317.393	1.234	50	20	DDGD	
Cc1nn(C)c(Cl)c1C(=O)NNC(=O)Cc1ccccc1F	66775320	VUFYVKXPYZHTEC-UHFFFAOYSA-N	324.743	1.525	50	20	DDGD	
CNS(=O)(=O)c1ccc(C(=O)NNc2cccc(C)c2)o1	120925823	KFMMLUUDNBOEML-UHFFFAOYSA-N	309.347	1.253	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc3c2oc(=O)n3C)o1	127767840	QJPCHHZQPMWZBO-UHFFFAOYSA-N	315.285	1.108	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@](C)(C(=O)OC)c1ccccc1	188755735	MGCOSCIYVPMTKB-HVJHFUJKSA-N	316.357	1.677	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1ccc(Cl)nc1	77248645	KBKFHKFDBZELOH-UHFFFAOYSA-N	319.748	1.834	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)Nc1cc(F)c(F)c(F)c1	186046365	SUPWVZHSEPICHA-UHFFFAOYSA-N	313.239	1.222	50	20	DDGD	
CCc1ccccc1CNC(=O)NNC(=O)c1cnn(C)c1	128254539	QZWRTOWGFYVHOK-UHFFFAOYSA-N	301.350	1.127	50	20	DDGD	
O=C(Cn1cc(Br)cn1)NNC(=O)c1ccccc1	916727592	DSTIYPGNVOPHRF-UHFFFAOYSA-N	323.150	1.107	50	20	DDGD	
O=C(NNc1ncccn1)C(=O)Nc1cccc2c1CCCC2	120054430	TWEFWALRUCHBCN-UHFFFAOYSA-N	311.345	1.437	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)c1ncccc1O	122641522	GLOOZTFNOLWFRX-UHFFFAOYSA-N	321.336	1.944	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NC[C@@H]2CCCS2)c1	125134943	NCHIMKUXRYXIPG-ZDUSSCGKSA-N	322.434	1.592	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)o1	129090475	OOVXHQIVNQYRBX-DGCLKSJQSA-N	307.350	1.490	50	20	DDGD	
COc1cccc(NNC(=O)CCn2cc([N+](=O)[O-])nc2C)n1	180736529	FSKFVPBBJUBXIB-UHFFFAOYSA-N	320.309	1.037	50	20	DDGD	
COc1cccc(CC(=O)NNC(=O)CNc2ccccc2)c1	73302212	XHZHRUMWVMHBAN-UHFFFAOYSA-N	313.357	1.497	50	20	DDGD	
C#CCNC(=O)NNC(=O)COc1cc(C)ccc1C(C)C	79264640	QPHCEXCWNYQFAQ-UHFFFAOYSA-N	303.362	1.461	50	20	DDGD	
O=C(CCOCC(F)(F)F)NNC(=O)NCc1ccco1	138917598	PHYPTRCEIALQTG-UHFFFAOYSA-N	309.244	1.079	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNC(=S)NC(C)(C)C	88241598	AWYMDWGVAWPKQG-UHFFFAOYSA-N	312.439	1.636	50	20	DDGD	
CCNC(=O)NNC(=O)c1cccc(NC(=O)c2ccco2)c1	139157210	PMGPNPBEDFWYOK-UHFFFAOYSA-N	316.317	1.496	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cccc(F)c2C#N)n1	190056483	NGGSZEHJSSFEED-UHFFFAOYSA-N	301.281	1.561	50	20	DDGD	
Cc1c(Cl)cccc1OCC(=O)NNC(=O)NCC1CC1	134688624	KYMLNPLAELRGQI-UHFFFAOYSA-N	311.769	1.768	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)c2cccc(Cl)c2)on1	194684392	KXSZPQVURQAKDR-UHFFFAOYSA-N	308.725	1.781	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCc1ccc(Cl)cc1)N(C)C	191602679	BKEYTPXCPQGZBL-LBPRGKRZSA-N	312.801	1.511	50	20	DDGD	
CN(C[C@H]1CCC[C@@H]1O)C(=O)/C(C#N)=C\c1ccc(O)cc1	194807215	LAHPHMMPHBZHPW-ZENWKWHOSA-N	300.358	1.919	50	20	DDGD	
O=C(C[C@@H]1CCCOC1)NNC(=O)c1ccc2ccccc2n1	194966931	GJWFWEJSFOXGFI-LBPRGKRZSA-N	313.357	1.813	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](C)Cn2cccn2)s1	147616052	NDBFYNWVXKMTLT-SECBINFHSA-N	307.379	1.286	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C\c1ccc(N(C)C(C)C)nc1	190235923	LMVQCOMOYYCLDJ-PBTLCFMXSA-N	316.405	1.984	50	20	DDGD	
CCCCNC(=O)NNC(=O)C(=O)c1ccc2c(c1)CCC2	142526055	GNTDYRPMWUPHNT-UHFFFAOYSA-N	303.362	1.489	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)COc1c(C)nn(C)c1C	268158592	MUMSECPEBSFCLB-UHFFFAOYSA-N	316.361	1.185	50	20	DDGD	
COC(C)(C)C[C@@H](C)NC(=O)NNc1ccc(Cl)nn1	266620724	VLUNZBCTDGAXNK-MRVPVSSYSA-N	301.778	1.960	50	20	DDGD	
CO[C@H](C)CCNC(=O)NNC(=O)c1cccc2ncccc12	264372057	RCERFFIWXLXGBY-LLVKDONJSA-N	316.361	1.604	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1	267613531	LKSXVHHUTXTTHA-ZDUSSCGKSA-N	319.361	1.347	50	20	DDGD	
C=CCSCCNC(=O)NNC(=O)COCc1ccccc1	265679892	IXNNRRXYCNHWGP-UHFFFAOYSA-N	323.418	1.453	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc(N2CCCC2)nn1	264025175	PYYIAGZHXWUBID-UHFFFAOYSA-N	307.354	1.246	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C(C)(C)c1ccccc1)[C@H]1CCOC1	266784791	RUTPHNYOPQCSAE-STQMWFEESA-N	319.405	1.720	50	20	DDGD	
COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccc(C)o2)c1C	267764751	DSDJQGQATMEKCG-UHFFFAOYSA-N	319.317	1.394	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCC1(C)CCOCC1	267816836	FRLLGOLESARHGY-UHFFFAOYSA-N	321.377	1.456	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCC(C)(C)CN2CCCC2)n1	276592073	ABQASPOPDSITNU-UHFFFAOYSA-N	320.441	1.842	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C(=O)N2CCC(C)CC2)c1	278537176	ZPODXSVHJVNMFC-UHFFFAOYSA-N	319.361	1.175	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)[C@H](F)C(F)(F)F	364333406	UBAAHTDANIFDBA-LURJTMIESA-N	305.191	1.475	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1ccc2c(n1)CCCC2	278440526	VWHQUTDVCSQEPH-UHFFFAOYSA-N	304.394	1.837	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1c(C)nn(C(F)F)c1C	271367270	OKTOQMNBQCJMOG-UHFFFAOYSA-N	303.313	1.130	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCC1(N(C)C)CCC1	276061220	VGNWOKGQVKORCF-UHFFFAOYSA-N	312.845	1.953	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1ccccc1OC(C)C	276206408	NZNPIBUICJSKOJ-UHFFFAOYSA-N	322.365	1.105	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C[C@@H]2CCCCO2)nc1C	272194780	OHKMJHTXOMSDFB-NSHDSACASA-N	322.365	1.364	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc(S(C)(=O)=O)c1	273362585	WEURFHRZJCPGAL-VIFPVBQESA-N	313.379	1.289	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C[C@@H]1C(=O)Nc2ccccc21	371494952	LHMJXYAKJGPTMQ-JTQLQIEISA-N	305.334	1.668	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1ccc2c(c1)OCO2	283693623	PNDHVKLLJQSHLO-LLVKDONJSA-N	307.306	1.137	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)c1ccc(Cl)cc1OC	280937352	IOTWXDALGHGCHK-CQSZACIVSA-N	314.769	1.925	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCC[C@@H]2[C@H]2CCCO2)n1	284177653	KWSMDWBXDSARQK-ZIAGYGMSSA-N	318.377	1.388	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NNc1nccc(OC)n1	281167350	CWMJLWUWJGETEF-PWSUYJOCSA-N	307.354	1.093	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@H]1CCCCN1C(=O)c1ccccc1	378560886	NRQNHQSGKXTOMB-MRXNPFEDSA-N	324.384	1.642	50	20	DDGD	
C[C@@H]1CCCN(C[C@@H](C)NC(=O)NNc2ncccc2F)C1	286885495	DOAZJYGWMWFHFG-VXGBXAGGSA-N	309.389	1.967	50	20	DDGD	
Cn1ncc2c1C[C@@H](C(=O)NNc1cccc([N+](=O)[O-])c1)CC2	282891426	WGFCGZKNDAWFGA-JTQLQIEISA-N	315.333	1.577	50	20	DDGD	
CSSCCNC(=O)N[C@H](CO)Cc1ccccc1	284224671	NYXZDBCVQUJSTO-LBPRGKRZSA-N	300.449	1.900	50	20	DDGD	
COCCN(C)NC(=O)c1cc2cnn(C(C)C)c2nc1C	288625988	WFEBNBXQGLAUQL-UHFFFAOYSA-N	305.382	1.544	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2O)O1	282711397	PPQWWCOFQPIENN-DNSOKLHBSA-N	312.753	1.620	50	20	DDGD	
CCCc1cc(C(=O)NNC(=S)NCCSC)no1	294961052	NJDASIJCHUAWRM-UHFFFAOYSA-N	302.425	1.099	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)CCn2cccc2)cc1	802119029	VOTACSZWVHBUNK-UHFFFAOYSA-N	315.377	1.797	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccccc1OC(F)(F)F	293881004	DMLHCHLHDUUDJC-JTQLQIEISA-N	318.251	1.525	50	20	DDGD	
Cc1cccc(Cl)c1NC(=O)C(=O)NNC(=O)CC1CC1	298734506	VLYXMWFYWFTPHA-UHFFFAOYSA-N	309.753	1.534	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@H](O)c1ccc(Cl)cc1	291488481	SHRWAMREBYFVQQ-SNVBAGLBSA-N	300.742	1.929	50	20	DDGD	
CCC[C@H](CNC(=O)NNC(=O)c1ccc(C#N)cc1)OC	296380581	PEIBWDKGEZFUKK-CYBMUJFWSA-N	304.350	1.317	50	20	DDGD	
CCOc1ccccc1NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	292880732	ULCGOCFHBYPSMD-GWCFXTLKSA-N	307.350	1.806	50	20	DDGD	
Cc1cccc2c1N(C(=O)C(=O)NNc1cccc(F)n1)CC2	807392624	TYCCPRQQQHYWHK-UHFFFAOYSA-N	314.320	1.562	50	20	DDGD	
CC[C@H]1C[C@@H](CC(=O)NNC(=O)N=c2cc[nH]cc2)CCO1	802031178	DMFCPGGHOYDVBR-AAEUAGOBSA-N	306.366	1.252	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@@H]2CCOc3ccccc32)O1	297975879	XSRLNWVPFXIXSX-SUHUHFCYSA-N	319.361	1.408	50	20	DDGD	
CCC[C@H](NC(=O)Cc1ccccc1)C(=O)NN(C)CCOC	808073650	OEHNQXXHABRLSF-HNNXBMFYSA-N	321.421	1.123	50	20	DDGD	
COc1ccc2nc(NNC(=O)c3cn(C)nn3)c(C)cc2c1	809752911	XGFMQGLVLUXULB-UHFFFAOYSA-N	312.333	1.437	50	20	DDGD	
CCCc1noc2nc(CC)cc(C(=O)NNC(=O)N(C)C)c12	800328241	JIUFUALGAVRERT-UHFFFAOYSA-N	319.365	1.654	50	20	DDGD	
CN1C(=O)CC[C@@H]1C(=O)NNc1ccccc1Br	807118968	UWKBGRFYLZQCFY-SNVBAGLBSA-N	312.167	1.513	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H](O)c1ccc(Cl)cc1F	813423641	JHNAAFHQKKMNMD-NSHDSACASA-N	317.748	1.643	50	20	DDGD	
O=C(NNc1ncncc1F)c1nn(-c2ccccc2)cc1O	817081624	HAXNXDIPLQLSDU-UHFFFAOYSA-N	314.280	1.264	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1COc2cc(F)cc(F)c21	814794446	HAFSESBPOGKBMY-UHFFFAOYSA-N	324.312	1.838	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)N=c1cc[nH]cc1)CCO2	815001731	AEVNEVXZKMGDPH-UHFFFAOYSA-N	312.329	1.820	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NNc1cccc(Cl)n1	814316983	XWRLRLBSDDJESA-RKDXNWHRSA-N	311.773	1.276	50	20	DDGD	
C[C@@H](C(=O)NNc1ncncc1F)c1ccc2c(c1)OCO2	817080796	FBQZDUFHVKIRNJ-MRVPVSSYSA-N	304.281	1.591	50	20	DDGD	
CC(C)c1ccc(C(=O)NNc2ccc(-n3ccnc3)nn2)nc1	811455938	ZVLJIRUYBSYYTA-UHFFFAOYSA-N	323.360	1.938	50	20	DDGD	
CCCc1[nH]ccc1C(=O)NNC(=O)c1cccc(OC)c1O	817710023	FEUJKZDLLUAQPY-UHFFFAOYSA-N	317.345	1.756	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Cc1cnn(-c2ccccc2)c1	818866720	ZOEGMSIAHQQWPU-UHFFFAOYSA-N	300.362	1.608	50	20	DDGD	
CC[C@@H](C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1	814814363	IJNDFBPHRAVMDT-GXTWGEPZSA-N	323.418	1.652	50	20	DDGD	
Cc1noc2ncc(C(=O)NNC(=S)NCC3CCC3)cc12	727864712	BXFDHWYDJOUVNX-UHFFFAOYSA-N	319.390	1.440	50	20	DDGD	
N#Cc1ccc(NCC(=O)NNC(=O)NC2CCCCC2)cc1	726928724	DTNUCZPRPWFPFR-UHFFFAOYSA-N	315.377	1.633	50	20	DDGD	
COc1ccc(Br)c(C(=O)NN(C)C[C@H](C)O)c1	824623809	PFLOWDHLUTUGED-QMMMGPOBSA-N	317.183	1.415	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC[C@@H]1c1ccncc1	827314475	DKRPJCGMNYQFBI-FPMFFAJLSA-N	318.377	1.384	50	20	DDGD	
CCOC(=O)NN=Cc1ccccc1OCC(=O)N1CCCC1	490578296	CTDDZQLUAJCUQA-UHFFFAOYSA-N	319.361	1.768	50	20	DDGD	
Cc1ccc([C@@](O)(CC(=O)NN(C)[C@@H](C)CO)C(F)(F)F)o1	823946684	MTVRKIDGFLJKKH-UFBFGSQYSA-N	324.299	1.072	50	20	DDGD	
CN(C)N(C(=O)/C=C\C1CCCC1)[C@@H]1CCS(=O)(=O)C1	493436263	SXXPFZSWBBHACF-MEJMFZKBSA-N	300.424	1.225	50	20	DDGD	
Cn1cc(-c2cccc(NC(=O)NNC(=O)CC3CC3)c2)nn1	825699325	ULORJYVQEHSXER-UHFFFAOYSA-N	314.349	1.435	50	20	DDGD	
N#CC1(CC(=O)NNC(=O)NCc2ccco2)CCCCC1	823793307	LOTDDQMTWMWZEX-UHFFFAOYSA-N	304.350	1.974	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C\c1cccc(S(C)(=O)=O)c1	491050132	OVYAPNWKAAHPOV-LCYFTJDESA-N	306.387	1.913	50	20	DDGD	
CN(NC(=O)CNC(=O)c1ccc(O)cc1)C(=O)OC(C)(C)C	497267003	AVZXZPPSJXOMPD-UHFFFAOYSA-N	323.349	1.020	50	20	DDGD	
COC(=O)NNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C	492329028	PJRKBXAMDJJMLW-RKDXNWHRSA-N	301.343	1.019	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NN(C)[C@@H](C)CO)cc1OC	823947072	SHBVPCNBZDCMGM-NSHDSACASA-N	310.394	1.325	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(C(=O)NC(C)C)cc1C	495623263	NZLNQROLQBCOGE-UHFFFAOYSA-N	322.365	1.916	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)c1cc(-c2ccccc2)on1	822293353	VEMMNKSGESUFIC-CYBMUJFWSA-N	317.345	1.918	50	20	DDGD	
CCC(=CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)CC	820833027	QKICBEMLHFZTOB-UHFFFAOYSA-N	314.349	1.374	50	20	DDGD	
CCO/C=C\C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	493483171	KDBNMMFYZMBJFV-FPLPWBNLSA-N	320.317	1.676	50	20	DDGD	
Cc1nc(Cc2ccccc2)sc1C(=O)NN(C)[C@H](C)CO	823971779	ZIAVPTOLWMQWIU-LLVKDONJSA-N	319.430	2.000	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@H](C2CCC2)C1	585009663	ZYPUBXNWHXSINN-ZDUSSCGKSA-N	305.158	1.158	50	20	DDGD	
COCC[C@H](NC(=O)[C@@H](Br)C(C)(C)C)C(=O)O	909626375	SVMPAPCTYYNTTE-JGVFFNPUSA-N	310.188	1.402	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)/C=C\c2ccc[nH]2)c1	493852965	LOVNSVKWUBXQKA-WAYWQWQTSA-N	313.357	1.871	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2ccccc2F)C[C@@H]1Br	905088953	AMFWXDUBYVWCNZ-JOYOIKCWSA-N	315.142	1.760	50	20	DDGD	
Cc1cc(OCC(=O)NN(C)C(N)=O)ccc1Br	907188639	URWWKWHVOHSSCB-UHFFFAOYSA-N	316.155	1.178	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2c[nH]cc2-c2ccccc2)cn1	735471321	UNGBYECEZBKQTH-UHFFFAOYSA-N	309.329	1.490	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)c(O)c1	730103160	YWXOWGVAXABMHI-UHFFFAOYSA-N	302.334	1.242	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C1(C)CN(C(=O)OC(C)(C)C)C1	496420047	MOWFISCVBILVCL-UHFFFAOYSA-N	313.398	1.437	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1ccnc(C2CC2)n1	732657853	WAHMTVUSRYMRTR-UHFFFAOYSA-N	301.306	1.091	50	20	DDGD	
CC1=CCN(CCNC(=O)[C@@]2(C)C[C@H]2Br)CC1	907386833	YDIZXRAMDHZVRE-YPMHNXCESA-N	301.228	1.928	50	20	DDGD	
C=C[C@@H]1CCCCN1CC(=O)NNC(=O)c1ccc(C#N)cc1	839585525	IXCNFRSHTFKRCS-OAHLLOKOSA-N	312.373	1.360	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H](C)[C@H](OC)C2CC2)c1	838699861	BQAWJYVXWYKFLO-YGRLFVJLSA-N	321.377	1.913	50	20	DDGD	
C[C@@]1(C(=O)NCCOc2ncccc2F)C[C@@H]1Br	907087657	JCQRCDAFQISWPX-JOYOIKCWSA-N	317.158	1.889	50	20	DDGD	
O=C(NNc1cnccn1)c1cnnn1-c1ccccc1Cl	734242588	LNNZDBLHAQEWEY-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
C[C@@H](CNCc1ccc(B(O)O)o1)Oc1ccccc1Cl	585025071	LEHUNJURHOKVNK-JTQLQIEISA-N	309.558	1.170	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)NC(=O)NNc1cccc(F)c1F	838693336	IYMVGSBKUFGZDT-SECBINFHSA-N	309.320	1.956	50	20	DDGD	
CN(C)c1cc(C(=O)NN=C2CCCc3nc(N)ccc32)ccn1	834957090	SSNYBWYMDUWAEC-UHFFFAOYSA-N	324.388	1.595	50	20	DDGD	
Cc1noc(CCCNC(=O)[C@]2(C)C[C@H]2Br)n1	906530939	NKFAMPXBYLDTFQ-LDYMZIIASA-N	302.172	1.600	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@@H]2C(=O)O)cc1C	738627601	IJCXEVGKMHUBHK-MNOVXSKESA-N	307.375	1.342	50	20	DDGD	
CC[C@@H]1[C@H](C)CCN1CC(=O)NNC(=O)c1ccc(C#N)cc1	839562762	CAUHSTKGLFROQY-IUODEOHRSA-N	314.389	1.440	50	20	DDGD	
C=CC(=O)N(CC)CC(=O)NNc1ccc(OC(F)F)cc1	901167993	NWRFTWIDIHARQA-UHFFFAOYSA-N	313.304	1.766	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccccc2NC(=O)O)n1	738143228	NLCCEXNKKHEEFK-UHFFFAOYSA-N	303.278	1.332	50	20	DDGD	
C#CCCCC(=O)NN[C@H](Cc1ccccc1)C(=O)OCC	901645102	XXBXNVTXXODJMK-OAHLLOKOSA-N	302.374	1.585	50	20	DDGD	
O=C(NNc1cccc(F)n1)NC1CCN(C2CCC2)CC1	836645673	ILEJDLONSHLFFN-UHFFFAOYSA-N	307.373	1.864	50	20	DDGD	
CCC[C@H](NC(=O)c1ccc(B(O)O)cc1)c1cccs1	584934498	POUAAHDNJUHPOO-ZDUSSCGKSA-N	303.192	1.699	50	20	DDGD	
Cn1cc(CCC=NNC(=O)c2cc(Br)c[nH]2)cn1	834933228	INYBVFNNQHRATA-UHFFFAOYSA-N	324.182	1.859	50	20	DDGD	
C[C@@]1(C(=O)NCC2(S(C)(=O)=O)CCC2)C[C@H]1Br	907884914	GYRWNTWVJNENDN-PSASIEDQSA-N	324.240	1.243	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)NC(C1CCC1)C1CCC1	836455625	VPNKCHYWIKXCLQ-UHFFFAOYSA-N	317.393	1.808	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C1CCCC1)N1CCc2ccccc2C1	732271135	CPVVZUKESKKECS-CYBMUJFWSA-N	315.417	1.771	50	20	DDGD	
COC(=O)[C@@H](C)n1cccc1C=NNC(=O)[C@@H]1CCCCO1	834985312	HSYBQJGKLMDHER-YPMHNXCESA-N	307.350	1.241	50	20	DDGD	
Cc1cc(N2CC[C@H](B(O)O)C2)c2cccc([N+](=O)[O-])c2n1	585079364	ZCLNXQMQCMFNTN-JTQLQIEISA-N	301.111	1.505	50	20	DDGD	
NC(=O)C(=O)NN=C1CCN(Cc2ccccc2)[C@H]2CCC[C@H]12	834917177	AHIVSDYGWGLCMH-HIFRSBDPSA-N	314.389	1.019	50	20	DDGD	
CN(CC(=O)NNc1cc(O)nc2ncccc12)C1CCC1	913987443	ALEYCETZTHTISB-UHFFFAOYSA-N	301.350	1.263	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCC[C@@H]2C[C@H]12	838775509	ZEQYABMJKJQQMC-ICCXJUOJSA-N	318.333	1.727	50	20	DDGD	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)CC(F)(F)F	915261393	NDQJQEKMHZLPJW-MRVPVSSYSA-N	315.251	1.425	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NN=C1COc2cc(O)ccc21	915951008	GHRYYOFABSFQHX-UHFFFAOYSA-N	300.289	1.987	50	20	DDGD	
C[C@H](CCC(=O)NNC(=O)CN1CCCC1=O)c1ccccc1	913731589	NVPNQZALESIMPH-CYBMUJFWSA-N	317.389	1.340	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCCCN1CCCCC1	918058134	WHDLOAQEEGYAPG-UHFFFAOYSA-N	310.320	1.145	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)COc1cc(Cl)cc(Cl)c1	910164059	RKYFREWRBDVAKD-QMMMGPOBSA-N	307.177	1.716	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F	843650929	ITNIWHFPPGEOIH-GAIPPQHRSA-N	324.327	1.641	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)C1CCCC1)NC(=O)OC(C)(C)C	742533235	KZMVECSUBAOOBA-SNVBAGLBSA-N	313.398	1.627	50	20	DDGD	
CN(CCNC(=O)NNc1c(F)cc(F)cc1F)C1CC1	918170981	LTXCFBSBTSOSGX-UHFFFAOYSA-N	302.300	1.824	50	20	DDGD	
O=C(O)CCCCC(=O)NNc1c(F)c(F)nc(F)c1F	848448890	XCEMMZJAQSSBAR-UHFFFAOYSA-N	309.219	1.726	50	20	DDGD	
CN(C)CCn1ccc(C(=O)NNc2ccc(F)cc2F)n1	847602301	WPYMQAGIDVSHIS-UHFFFAOYSA-N	309.320	1.480	50	20	DDGD	
C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NNC(=O)c1ncccn1	841579633	OGTOOEYMWVELGV-MNOVXSKESA-N	305.382	1.635	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)CC2CCCC2)c2ccccn12	741283991	ZNLSARHUFNTQOV-UHFFFAOYSA-N	300.362	1.984	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2ncoc2C)c1	745743770	JZVAPLMOOAGKAX-UHFFFAOYSA-N	305.290	1.075	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCc1cccc(OC(F)F)c1	910146262	HIHYNRPVQJREFS-SNVBAGLBSA-N	302.321	1.564	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC1(Cl)Cl)c1cccc(Cl)n1	912506573	GQVSNLCUPKGVLD-RXMQYKEDSA-N	308.552	1.690	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cnc(Cl)c(Br)c1	847284219	BXPCXBDVABHLNX-UHFFFAOYSA-N	318.558	1.669	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCCCCC1)c1ccn(C)n1	841613527	BOCJKJZNGIKURK-CYBMUJFWSA-N	305.426	1.772	50	20	DDGD	
CS[C@@H]1CC[C@H](NC(=O)NNC(=O)c2ccc(C#N)cc2)C1	743568168	GDWHCPXZUKIEDO-QWHCGFSZSA-N	318.402	1.786	50	20	DDGD	
CC[C@@H]1CN([C@@H](C)C(=O)NNC(=O)CC(C)C)[C@H](CC)CO1	844384409	ATIUCAUPZSYFAQ-BFHYXJOUSA-N	313.442	1.458	50	20	DDGD	
C[C@@H](Sc1nncn1C)C(=O)NNc1ccc(C#N)cc1	748106200	LAIFMLVRMDETRR-SECBINFHSA-N	302.363	1.311	50	20	DDGD	
CCc1c(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)[nH]c(C)c1C(C)=O	843646450	QJIFLWOQSKNPIT-ZYHUDNBSSA-N	321.377	1.274	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@H]1CCCNCC1	841975741	ASNPKMOAYAKAIH-AWEZNQCLSA-N	304.394	1.010	50	20	DDGD	
C[C@@]1(C(=O)N2CCN3CC(F)(F)C[C@H]3C2)C[C@@H]1Br	911431028	ZRAHWDRYCJOUND-ATZCPNFKSA-N	323.181	1.712	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2ccc(C#N)s2)c1	749311487	URVQOAZUHMXPAA-UHFFFAOYSA-N	314.370	1.761	50	20	DDGD	
O=C(NNc1cccc(C(F)(F)F)c1)[C@@H]1CCCS1(=O)=O	847599862	UMMZJCBFNWCZKR-JTQLQIEISA-N	322.308	1.726	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccc(C)cc2O)cn1	918542178	TVDFKRHPLBINTI-UHFFFAOYSA-N	316.317	1.571	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCc2c1cccc2[N+](=O)[O-]	848406649	ORWNIZNMOQCHSO-JTQLQIEISA-N	321.333	1.413	50	20	DDGD	
N#CC1CCN(CC(=O)NNC(=O)c2cccc(Cl)c2)CC1	747088654	MXRXNISEEGFVDB-UHFFFAOYSA-N	320.780	1.337	50	20	DDGD	
Cn1c(NNC(=O)[C@H]2CC(=O)N(C3CC3)C2)nc2ccccc21	848380081	YKESOETYRJBDHY-JTQLQIEISA-N	313.361	1.027	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)COc2ccccc2F)s1	749330734	SVQGDBMMKGIQJN-UHFFFAOYSA-N	319.317	1.599	50	20	DDGD	
CCC(CC)n1nc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1C	843657893	DCUGSHUWHCAEKQ-WCQYABFASA-N	322.409	1.739	50	20	DDGD	
O=C(NCc1nc2c(s1)CCC2)NNC(=O)c1ccc[nH]1	924580257	QTLQJOOEPBAMRQ-UHFFFAOYSA-N	305.363	1.104	50	20	DDGD	
CCCC[C@@H](CN)NC(=O)NNc1ncnc2ccsc12	841957455	KDTNARGEIWYZQJ-VIFPVBQESA-N	308.411	1.835	50	20	DDGD	
Cc1noc(CNC(=O)NNc2cc(F)c(F)c(F)c2)n1	746761789	NCMWEJNIOUUZPD-UHFFFAOYSA-N	301.228	1.622	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)c2ccnc(N(C)C)c2)[nH]1	747631204	DTSGARNTQXJDMR-UHFFFAOYSA-N	315.333	1.026	50	20	DDGD	
CC(=NNC(=O)c1cccc(S(C)(=O)=O)c1)[C@@H]1CCOC1	741760663	ACODUTBDRWTTKK-GFCCVEGCSA-N	310.375	1.232	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCN1C(=O)N[C@@]2(CCOC2)C1=O	840202654	HRVZLTXPOSPGER-CQSZACIVSA-N	314.458	1.719	50	20	DDGD	
C[C@@H](CNC(=O)NNc1cccc(F)n1)C(=O)OC(C)(C)C	848666394	AHNKHGYIUAQUIP-VIFPVBQESA-N	312.345	1.825	50	20	DDGD	
C[C@H](CC(=O)OCC(=O)NNC(=O)c1cccs1)C1CC1	920726300	KPTSWSKBLLAUFS-SECBINFHSA-N	310.375	1.489	50	20	DDGD	
O=C(NC[C@@H]1COCO1)NNc1ccccc1OC(F)(F)F	923850309	AFETXVFBKLROJN-MRVPVSSYSA-N	321.255	1.584	50	20	DDGD	
CN(C)C1(CNC(=O)NNC(=O)c2ccc(Cl)cc2)CC1	923016528	ZVFYXSIKKGQYFF-UHFFFAOYSA-N	310.785	1.378	50	20	DDGD	
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)c1cccc(F)n1	852712951	LVYWXLQQCAFRMJ-FGWVZKOKSA-N	306.341	1.838	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H](NC(=O)NNc2cc(F)ccc2F)C1	924160792	AFXBEDFINFOCLL-SCZZXKLOSA-N	313.304	1.933	50	20	DDGD	
C[C@H]1[C@H](C)CCCN1CC(=O)NNC(=O)c1cccc(C#N)c1	756530208	CCMZNXACZQOHSG-OLZOCXBDSA-N	314.389	1.440	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc(N(C)C)nc1)C1CC1	751620434	UANXCKZDTWKHCU-VIFPVBQESA-N	307.423	1.055	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2csc(C=O)c2)cc1	754974013	JUNHPHBQARDTHV-UHFFFAOYSA-N	318.354	1.709	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nn2)n1	759085887	IVCADBMBRXAHHI-FMIVXFBMSA-N	319.328	1.546	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1cnn(-c2ccccc2F)c1	753935123	CQEBGNAIWNALAL-UHFFFAOYSA-N	303.297	1.574	50	20	DDGD	
CCN1CCC[C@H](NC(=O)/C(C#N)=C/c2ccc(O)cc2)C1=O	928877049	ZNPCBXNIBFMYSK-VOMSXAGXSA-N	313.357	1.426	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2ccc(F)cn2)nc1C	752756766	GKJADWYEJIFSNL-UHFFFAOYSA-N	319.296	1.253	50	20	DDGD	
C[C@H]1CN(C2CC2)CC1=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1	755885813	HIQHTLUZOLQFIJ-VIFPVBQESA-N	317.349	1.377	50	20	DDGD	
Cn1c(=NNC(=O)C[C@](C)(O)C2CC2)sc2ccccc21	755449458	DRFLOXCWCWPGFW-HNNXBMFYSA-N	305.403	1.723	50	20	DDGD	
C[C@H](NC(=O)NC[C@@]1(C)C[C@H]1Br)c1ccn(C)n1	856864941	RBWHXEMEMZFSCO-MKPLZMMCSA-N	315.215	1.954	50	20	DDGD	
O=C(CCOC[C@H]1CCCO1)NNc1ncccc1[N+](=O)[O-]	759286271	ZUQOGHYMYAOCAC-SNVBAGLBSA-N	310.310	1.019	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@@H](C2OCCO2)C1	928009602	RMYLFFMMLAIVFG-OZYJXZHSSA-N	316.332	1.954	50	20	DDGD	
O=C(NC[C@@H]1CCCN1CC(F)F)NNC(=O)C1CCCC1	858393285	PLNZSVLEXSGSDP-NSHDSACASA-N	318.368	1.237	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)CCN1C(=O)CCC1=O	928336140	CGDODHNHITVHNI-UHFFFAOYSA-N	309.753	1.631	50	20	DDGD	
NC(=O)c1ccc(F)c(NC(=O)NNC(=O)C2CCCC2)c1	756068263	WUJSHCZNTZQASW-UHFFFAOYSA-N	308.313	1.268	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCO[C@](C)(c2ccccc2)C1	759754849	OMXUHEWVHFHJND-GUYCJALGSA-N	319.405	1.180	50	20	DDGD	
CN(C)C(=O)NN=Cc1cc(O)c(O)c(Br)c1	757576733	QFZBOLRIGJUIAT-UHFFFAOYSA-N	302.128	1.465	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)CNC(=O)c1cccs1)C1CC1	751211979	NPAWOPMWFYVXIN-VIFPVBQESA-N	309.391	1.062	50	20	DDGD	
CCOc1ccc(C(F)(F)F)cc1NC(=O)NNC(=O)CO	756212611	GLVOLUHNEQOBSQ-UHFFFAOYSA-N	321.255	1.249	50	20	DDGD	
CC(C)(C)C=NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1	755550438	HGRZXHPYJZYIJK-UHFFFAOYSA-N	317.798	1.749	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(C)o2)n2nc(C)cc2n1	752780071	YYLPZEUPALOLRJ-UHFFFAOYSA-N	313.317	1.322	50	20	DDGD	
COc1cc(Cl)cc(C=NNC(=O)c2cnn(C)c2)c1O	758879006	OUQZFGGLYLFHPL-UHFFFAOYSA-N	308.725	1.552	50	20	DDGD	
CNC[C@@H](C)NC(=O)NNC(=O)c1ccc(Cl)cc1F	851682056	RQNLBMLMRLDMSI-SSDOTTSWSA-N	302.737	1.031	50	20	DDGD	
C[C@]1(CNC(=O)C[C@H]2CCCC(=O)N2)C[C@H]1Br	857388452	SKNXRCGSGARTEW-KBVBSXBZSA-N	303.200	1.335	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)N[C@H]1CC[C@H](O)CC1	753725012	XDOXAEVDPKPFJN-XYPYZODXSA-N	316.361	1.415	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)NCC1CC1)c1ccc([N+](=O)[O-])cc1F	755165099	XODNJEPADVHDAS-MRVPVSSYSA-N	324.312	1.578	50	20	DDGD	
Cc1ccc(NCc2cccc(B(O)O)c2)cc1-c1ncco1	864030192	JAEWVYYLFYCQEA-UHFFFAOYSA-N	308.146	1.942	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)NC[C@H]1COCCN1	861684597	OWJACJSABMWUSN-ZDUSSCGKSA-N	306.410	1.733	50	20	DDGD	
CCNc1ncc(C(=O)NNC(=S)N[C@H](C)C2CC2)s1	862150828	ZBJNZNDLIJOTMF-SSDOTTSWSA-N	313.452	1.482	50	20	DDGD	
Cc1cccc(CO[C@@H](C)C(=O)NNC(=O)c2cn[nH]c2)c1	869384975	JDKAYWDAVRNFNT-NSHDSACASA-N	302.334	1.084	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)COC/C=C\c1ccccc1	763185489	FCPKHLNNCKSTFP-TWGQIWQCSA-N	313.357	1.516	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ncc(F)cc2F)n1	760493276	XALNQFKPDCIAGU-UHFFFAOYSA-N	300.656	1.142	50	20	DDGD	
COC(=O)NNC(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C	765835345	POYIKQNUBNFGDB-JTQLQIEISA-N	315.370	1.553	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C)C(F)(F)F	862309895	VSWFMDGSOMRAQT-UWVGGRQHSA-N	323.359	1.985	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc(F)c(Cl)c1Cl	761826898	JDYVKAIRWFZAPB-UHFFFAOYSA-N	322.123	1.939	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@@H]1CCO[C@]2(CCSC2)C1	768526975	RJDWZZFREDOUFA-QMTHXVAHSA-N	315.439	1.418	50	20	DDGD	
C[C@@H](NNC(=O)[C@]1(C)COc2ccccc2O1)C(F)(F)F	862324109	COEZNHBLJKAOOQ-PELKAZGASA-N	304.268	1.788	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(NC(C)=O)ccc1F	764464943	IYMAAEKPDFVWFM-UHFFFAOYSA-N	319.296	1.340	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)Cc1ccc(F)cc1Cl	867118797	ZAMHKHCZXYSIRI-UHFFFAOYSA-N	323.777	1.475	50	20	DDGD	
CCN(CC(=O)NN[C@@H](C)C(F)(F)F)C(=O)OC(C)(C)C	862313476	IEDBUQIXMIKVFF-QMMMGPOBSA-N	313.320	1.815	50	20	DDGD	
C[C@@H]1CN(C(=O)OC(C)(C)C)CC1=NNC(=O)c1ccnnc1	863118576	BECJJGCRIUWWIM-SNVBAGLBSA-N	319.365	1.449	50	20	DDGD	
CC1(CC(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)CC1	760234830	AQCLJUWXJKIHLG-UHFFFAOYSA-N	323.418	1.761	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NNC(=O)c1cccc(C#N)c1	862995206	ZHVHLBDGUDNXSG-CYBMUJFWSA-N	300.362	1.192	50	20	DDGD	
CCO[C@@H](CC(=O)NNC(=O)COc1ccccc1O)C(C)C	760550995	GYCAZKBPWGXOOG-AWEZNQCLSA-N	324.377	1.370	50	20	DDGD	
CCC[C@H](CNC(=O)NNc1cncc(Cl)n1)OCC	875782798	VAODCVKCOYYAKS-SECBINFHSA-N	301.778	1.961	50	20	DDGD	
CCN1CCOC[C@@H]1C(=O)Oc1ccc([N+](=O)[O-])cc1OC	875272059	AAVIAGHSOOVMCH-LLVKDONJSA-N	310.306	1.230	50	20	DDGD	
COCc1cccc(NC(=O)NNC(=O)C2CCOCC2)c1	878179712	PJDXSERFCCFPEM-UHFFFAOYSA-N	307.350	1.412	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(C)[C@H](C)c1ccccn1	768733501	KPPBBMNBCDHFQF-OLZOCXBDSA-N	306.410	1.656	50	20	DDGD	
CNC(=O)C1(C(=O)NNC(=S)Nc2cccc(C)c2)CCC1	873774428	LWAGFOHANDXQLB-UHFFFAOYSA-N	320.418	1.229	50	20	DDGD	
CCn1nccc1C(=O)NNc1cccc(S(C)(=O)=O)c1	775892967	ZYUTVPLRYFBHFS-UHFFFAOYSA-N	308.363	1.063	50	20	DDGD	
C[C@@H]1COCCCN1C(=O)NNC(=O)c1ccc(C#N)cc1	772995836	AMNWIQHACGFQPI-LLVKDONJSA-N	302.334	1.023	50	20	DDGD	
O=C(NN=C1CCCNc2ccccc21)C(=O)Nc1ccccn1	774389731	YNAUVOWKSQXUIT-UHFFFAOYSA-N	323.356	1.746	50	20	DDGD	
C[C@H](C#N)C(=O)NNc1ccc([N+](=O)[O-])cc1Br	779146405	YCYHAPQAYNYQRK-ZCFIWIBFSA-N	313.111	1.960	50	20	DDGD	
CC(C)(O)CCNC(=O)NNC(=O)Cn1ccc2ccccc21	773274920	YADRUIGIVGMUHX-UHFFFAOYSA-N	318.377	1.133	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)CN2CCCCS2(=O)=O)c1	878104744	OQZBLJKXZGRXEO-UHFFFAOYSA-N	311.407	1.172	50	20	DDGD	
CCN1CCC(=NNC(=O)CCN2CCC(C)CC2)[C@H](C)C1	1116124019	HMVFVTJFGBMPLT-OAHLLOKOSA-N	308.470	1.942	50	20	DDGD	
CC[C@@H]1[C@H](C)CCN1CC(=O)NNC(=O)c1cccc(C)c1	775782688	KVLCJGXTUXYTBT-UKRRQHHQSA-N	303.406	1.876	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)c1cc(C#N)ccc1Cl	775251898	DLECJKITPAEQHO-UHFFFAOYSA-N	301.755	1.177	50	20	DDGD	
CCc1cccnc1C(C)=NNC(=O)C(=O)Nc1ccccn1	779774775	LTZOPRGEPSWCMB-UHFFFAOYSA-N	311.345	1.518	50	20	DDGD	
CN(C)c1ccncc1C=NNC(=O)c1cccc([N+](=O)[O-])c1	776177476	PLQYWHKPSBWNFL-UHFFFAOYSA-N	313.317	1.820	50	20	DDGD	
CCOCCC1(C(=O)NNC(=S)NCCSC)CCC1	770245671	IKGNJTHVJYVZMD-UHFFFAOYSA-N	319.496	1.442	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1c(C(F)(F)F)n[nH]c1C	887144191	DYUSRNUGRYBVCJ-UHFFFAOYSA-N	302.256	1.301	50	20	DDGD	
CCn1cnc2c1CCN(C(=O)[C@@]1(C)C[C@H]1Br)C2	886611576	IGRQCLHDHKPOHU-YPMHNXCESA-N	312.211	1.961	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc2ccccc2n1	771883496	JQVPCKPYVOBRHT-SNVBAGLBSA-N	315.329	1.338	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc1F	880231250	WNEOUGBWQYQPAQ-NURSFMCSSA-N	322.336	1.871	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(C)nnc2C)c(O)c1	779382298	OMPZBSGMQVCBDG-UHFFFAOYSA-N	300.318	1.182	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cccnn1)[C@@H](C)c1ccccc1	883489531	NIRCAQHHCPCOJP-NEPJUHHUSA-N	313.361	1.613	50	20	DDGD	
CS[C@H]1CC[C@@H](NC(=O)NNC(=O)C2CCOCC2)C1	883472411	BMXNPUMNAMSSAS-MNOVXSKESA-N	301.412	1.028	50	20	DDGD	
COC(=O)CCc1cccc(NC(=O)NNC(=O)CC2CC2)c1	881095500	QAHSTTMFWZPGMM-UHFFFAOYSA-N	319.361	1.745	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)[C@@]12CCC[C@@H]1C2	1120050092	GBENGSXPWHTEOK-BDJLRTHQSA-N	309.410	1.267	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)[C@@H](OC)c1ccccc1	782243287	SYMRUEHNWHYUSW-DZGCQCFKSA-N	308.378	1.918	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)NC[C@H]2C=CCC2)c1	883838784	DZERLEGNINEHMW-NSHDSACASA-N	309.391	1.682	50	20	DDGD	
C=CCNc1ncc(C(=O)NNc2ncncc2Cl)s1	782076918	JQVFVAXCJXOGJL-UHFFFAOYSA-N	310.770	1.941	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)NCCC(F)F	1122469512	HDYYUAQRYFMPCI-UHFFFAOYSA-N	321.711	1.948	50	20	DDGD	
COCCONC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	789348239	GTUMCUSXPZUEFC-UHFFFAOYSA-N	311.382	1.111	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc2cnccc2c1	782243546	YWQFDRKVUKEFAN-LBPRGKRZSA-N	301.346	1.736	50	20	DDGD	
COc1ccc(NNC(=O)c2ccnc(-n3cccn3)c2)nc1	781534226	GINCVKMVHBOALZ-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
C[C@@H]1CCCN1CCNC(=O)NNC(=O)Cc1ccc(F)cc1	897474669	YFVXQLOLEQPFFB-GFCCVEGCSA-N	322.384	1.183	50	20	DDGD	
COC(=O)COc1ccccc1C(C)=NNC(=O)NC(C)C	783837391	JNIHAXTZWUZNEA-UHFFFAOYSA-N	307.350	1.670	50	20	DDGD	
COc1cc(C)c(C(C)=NNC(=O)CN2CCCC2=O)cc1C	783807558	MYBRCSYALXSIDG-UHFFFAOYSA-N	317.389	1.775	50	20	DDGD	
COC(=O)COc1cccc(NC(=O)NN=c2cc[nH]cc2)c1	782017647	XKSBTOFVCIJLLT-UHFFFAOYSA-N	316.317	1.204	50	20	DDGD	
O=C(NNc1ncncc1Cl)N[C@@H]1CCO[C@@H](C2CC2)C1	781016831	QNCVXSLEXKBSRC-MWLCHTKSSA-N	311.773	1.714	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)Nc2ccc3c(c2)OCO3)n1	788827951	KYPHNXZREZHNBB-UHFFFAOYSA-N	322.712	1.590	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC[C@H](Oc2cccc(F)c2)C1	784483014	AKKIRNZDLRKOOP-RISCZKNCSA-N	323.368	1.225	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)nc1	787884106	DPMZOABNUBIFKL-JTQLQIEISA-N	321.381	1.116	50	20	DDGD	
O=C(NCCN1CCNC1=O)NNc1ccc(Cl)c(F)c1	891080334	VSZXGWHQQICIEJ-UHFFFAOYSA-N	315.736	1.130	50	20	DDGD	
COC(=O)c1csc(S(=O)(=O)N2CC=C(C#N)CC2)c1	273731409	UACNPNMMTONHOR-UHFFFAOYSA-N	312.372	1.379	50	20	DDGD	
O=C(CSc1ccc(F)c(F)c1)N1CC[C@H](B(O)O)C1	585068756	HCCGDJCSGCCHLR-QMMMGPOBSA-N	301.123	1.132	50	20	DDGD	
C[S@](=O)c1ccc(CC(=O)NNC(=O)c2ccccc2)cc1	797787545	VABPWPFAYICKMZ-QFIPXVFZSA-N	316.382	1.428	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1ccc(N(C)C)cc1	792379463	HWEQCSIZKBLYJF-UHFFFAOYSA-N	313.361	1.538	50	20	DDGD	
CCOc1ccc(C(C)=NNC(=O)N2CCN(C)CC2)cc1	790180617	CJKKKXPDWJLPDB-UHFFFAOYSA-N	304.394	1.766	50	20	DDGD	
C[C@@H]1CCC[C@@H](OCC(=O)NNC(=O)NCC(F)(F)F)C1	798314014	SMEDHAOZETWDRR-RKDXNWHRSA-N	311.304	1.474	50	20	DDGD	
CCC(=O)c1ccc(C(=O)NNC(=O)NCC(F)(F)F)cc1	798315469	VORFBNPTPUXJAL-UHFFFAOYSA-N	317.267	1.786	50	20	DDGD	
COC(=O)[C@@H]1[C@H]2CN(/C(=C\C#N)c3ccc([N+](=O)[O-])cc3)C[C@H]21	794975462	XRYRDZOXRBCGDK-PKFWQKTCSA-N	313.313	1.810	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CCn1ccccc1=O	798310939	ZOCFCTMWHSDYGY-UHFFFAOYSA-N	314.345	1.400	50	20	DDGD	
C[N+](C)(C)CC(=O)NN=Cc1ccc(N2CCCCC2)s1	1317716528	DXYWJOHKNMZTFH-UHFFFAOYSA-O	309.459	1.895	50	20	DDGD	
CCc1cc(C(=O)NC[C@@]2(C)C[C@@H]2Br)nn1C	1328632878	ALELDLADHSJRKS-CMPLNLGQSA-N	300.200	1.886	50	20	DDGD	
O=C(NNc1cccnn1)C(=O)Nc1ccccc1OC(F)F	1325169072	UMELGOQUYRPZPK-UHFFFAOYSA-N	323.259	1.160	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C[C@@H](O)c1ccc(Cl)cc1	1320574835	ZFJXBDITOLTOJS-LLVKDONJSA-N	315.826	1.667	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cnc(N(C)C)s2)cc1	1324434027	VHADNWBJIIOGQC-UHFFFAOYSA-N	304.375	1.982	50	20	DDGD	
O=C(NNc1cccnn1)c1cccc(Br)c1O	1320924551	LTGWCKJRGUURRX-UHFFFAOYSA-N	309.123	1.702	50	20	DDGD	
COC(=O)N1CCCN(CCI)CC1	1320757754	OZTBDLBGDFSYNT-UHFFFAOYSA-N	312.151	1.196	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCC2CC2)c(C(F)(F)F)c1	1323930264	YWEHMBQMENZGNA-UHFFFAOYSA-N	304.272	1.398	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCCC2CCOCC2)cc1	1251861960	GASUTSRQVNFNHD-UHFFFAOYSA-N	316.361	1.319	50	20	DDGD	
CCc1cc(C(=O)NNc2cncc(Br)c2)n[nH]1	1335936039	YBFCIWMWKHELRZ-UHFFFAOYSA-N	310.155	1.887	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNc1nc(-c2ccccc2)no1	1337126061	HXODGADHWCPTDP-NWDGAFQWSA-N	302.334	1.995	50	20	DDGD	
Cc1cc2cc(NC(=O)NNC(=O)C(C)C)ccc2n(C)c1=O	1330775467	WXWCQZIXFCKTRO-UHFFFAOYSA-N	316.361	1.656	50	20	DDGD	
CN(CC1CC1)c1nnnn1C[C@@]1(C)C[C@@H]1Br	1337713940	LWTQIBDSHADWAN-GXSJLCMTSA-N	300.204	1.693	50	20	DDGD	
CO[C@H]1CCC[C@H]1C(=O)NNC(=O)COc1cc(C)ccc1C	1336752523	YBDVFWUMVPKLOC-KGLIPLIRSA-N	320.389	1.645	50	20	DDGD	
Cc1cc(C#N)cnc1C(=O)NNc1nncc(N)c1Cl	1261243077	RFDHMNNFRFEJAJ-UHFFFAOYSA-N	303.713	1.044	50	20	DDGD	
O=C(NC[C@@H]1CCOC1)NNC(=O)c1ccc2ccccc2c1	1338560559	DJLXISJFCKTVLP-LBPRGKRZSA-N	313.357	1.820	50	20	DDGD	
CN1CCC(CC(=O)NNC(=O)c2ccccc2Cl)CC1	1347466120	DTGFKEWNLNZZIQ-UHFFFAOYSA-N	309.797	1.833	50	20	DDGD	
CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NNc1cccnn1	1342263425	QECCEUHFDPUUGF-UAWPZABVSA-N	321.406	1.178	50	20	DDGD	
Cc1cnc(Cl)c(NC(=O)NNC(=O)C2CCNCC2)c1	1345111676	MLCYJBJAQMTEPW-UHFFFAOYSA-N	311.773	1.196	50	20	DDGD	
N#CCC1(CNC(=O)NNC(=O)c2ccccc2Cl)CC1	1344464192	VXZRGIDPANRVNS-UHFFFAOYSA-N	306.753	1.978	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)Nc1cncc(C(=O)O)c1	1605815527	NBKVQXYAZYYDRN-UHFFFAOYSA-N	317.261	1.837	50	20	DDGD	
O=C(O)c1cc2cc(COc3ccc(B(O)O)cc3)ccc2o1	1608864790	PVQADWBVNMUCQF-UHFFFAOYSA-N	312.086	1.390	50	20	DDGD	
O=C(NN=c1cc[nH]c2cccnc12)Nc1ccc(C(=O)O)nc1	1601561576	PIPSSCQUJLWYEA-UHFFFAOYSA-N	324.300	1.294	50	20	DDGD	
CC[C@H](C(=O)O)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	1609886441	MAKDQVXFTNACSM-SCZZXKLOSA-N	324.402	1.745	50	20	DDGD	
CC[C@@H](NNC(=O)c1ccc(OC(C)C)c(OC)c1)C(=O)O	1609933267	TXHJXAJUUSHJKD-LLVKDONJSA-N	310.350	1.580	50	20	DDGD	
CC(C)(C)[C@H](C(=O)O)C(=O)NN=c1cc[nH]c2cccnc12	1602853220	OBXPRKDPRDTUMS-NSHDSACASA-N	302.334	1.242	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1ccc(C(=O)O)o1	1601290596	OGYNDCKLGDMBQL-UHFFFAOYSA-N	318.285	1.077	50	20	DDGD	
Cc1occc(=O)c1OCC(=O)NNc1cccc(C(=O)O)c1	1608056247	SVNCLHHCGXMCBG-UHFFFAOYSA-N	318.285	1.169	50	20	DDGD	
Cc1noc(CNC(=O)NNc2ccc(C(=O)O)c(F)c2)n1	1608027737	GPYIUIWGARPDOG-UHFFFAOYSA-N	309.257	1.042	50	20	DDGD	
CC(=O)c1cncc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1	1602980759	SNUCARPBFGFZLN-UHFFFAOYSA-N	323.316	1.221	50	20	DDGD	
C=CCCC[C@H](C)NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1602834281	ODFRLZBIZHRNBP-JTQLQIEISA-N	316.369	1.633	50	20	DDGD	
COc1cccc(NC(=S)NNC(=O)Cc2cc(C)n[nH]2)c1	17514187	NXCSKWRDPXWPCY-UHFFFAOYSA-N	319.390	1.287	50	20	DDGD	
C[C@@H]1O[C@H](C)CC1=NNC(=O)[C@@H]1CCCO[C@@H]1c1nccn1C	1549313192	DNWYUWJNRPVBBY-CZXHOFHRSA-N	320.393	1.557	50	20	DDGD	
CO[C@@H]1CN[C@@](C)(C(=O)NNc2cccc3cnccc23)C1	1578949511	WEJLLFYLRCWBSU-BLLLJJGKSA-N	300.362	1.445	50	20	DDGD	
CC(C)Oc1ccc(Cl)cc1C(=O)NNC(=O)[C@H]1CCN1	1575806623	PEFCJISPIOAVEC-LLVKDONJSA-N	311.769	1.250	50	20	DDGD	
CC(C)(C)OC(=O)c1cccnc1NNC(=O)CCC(=O)O	1573457785	JWQCDXLPTNIKQQ-UHFFFAOYSA-N	309.322	1.345	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)[C@H](N)CO)C1	1575262215	BYRZZDSBRAPPRF-VXGBXAGGSA-N	302.491	1.319	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)CCCCCN)c1ccccc1	1578070098	SATGLGFEHITTRN-OAHLLOKOSA-N	307.394	1.431	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@]23C[C@H](N)C[C@H]2C3)c1C	1578877735	JIFFQAROEGBKCI-LYOVBCGYSA-N	303.362	1.352	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1F)N[C@H]1C[C@H](C(=O)O)C1	1574819155	ASMMWPOGQJDGLN-KBTIHESUSA-N	303.240	1.593	50	20	DDGD	
CCOc1ccc(NNC(=O)c2cc3n(n2)C[C@H](C)NC3)cc1	1578183604	VSDWQCMGQWTTRN-NSHDSACASA-N	315.377	1.530	50	20	DDGD	
CN[C@@H](CC(C)(C)C)C(=O)NNC(=O)c1cccc(OC)c1O	1578589620	DNAPMKMMYDAKEB-NSHDSACASA-N	323.393	1.186	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C[C@H]2CNc3ccccc32)n[nH]1	1579589617	KZRSVNYYPUWYNV-NSHDSACASA-N	313.361	1.007	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)/C=C\c1ccccc1-c1nn[nH]n1	1589084099	BTWMKCBHHFTBNF-HJWRWDBZSA-N	314.349	1.073	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCC[C@@](N)(CO)C1	1580035670	CQPVKOCILKGHOO-OIQJVACTSA-N	303.337	1.045	50	20	DDGD	
O=C([C@H](F)Cl)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H]1C1CC1	1847487892	MMEYWHZLLWALPP-PPCPHDFISA-N	314.788	1.769	50	20	DDGD	
C/C=C/C=C\C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1845975164	RLPQLHPEWHIMKD-MWVSDSDQSA-N	300.761	1.857	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN1)c1cc(-c2ccc(Cl)cc2)c[nH]1	1580732984	LJWLFLMOXJUEGV-LBPRGKRZSA-N	318.764	1.458	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnc(C)[nH]1	1847911779	XURVXUGFOZBSJR-DRZSPHRISA-N	324.812	1.551	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](CC(=O)O)c1ccc(F)cc1	1596863721	RZYGOAOJEFYPEZ-PRWOLLLXSA-N	306.293	1.902	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)=O	1847867467	VWOGRXLWDIXTQR-WOPDTQHZSA-N	300.786	1.185	50	20	DDGD	
CCC(=O)N1CC2(CCCN2C(=O)[C@@H](F)Br)C1	1845216759	JGPXDCNZZATYJO-SECBINFHSA-N	307.163	1.290	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccsc1C(=O)O	1599697209	RPQJGUHWOLNKRB-UHFFFAOYSA-N	320.326	1.530	50	20	DDGD	
Cc1ccc(NNC(=O)c2ccc(-c3nn[nH]n3)nc2)cc1F	1592185132	JTQVYTBXWDDYBM-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
C[C@@H](Cn1ccnc1)NC(=O)NNc1ccc(CC(=O)O)cc1	1592929975	GGZQSMZMFBWGQL-NSHDSACASA-N	317.349	1.225	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=Cc1ccc(C(=O)O)nc1	1776023595	AXTHGFIKUXINJK-UHFFFAOYSA-N	324.296	1.181	50	20	DDGD	
CC(C)OCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Cl)C2	1792688153	PSEMRONFCQOLJV-LSCVPOLPSA-N	320.792	1.584	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2cccc(C(F)(F)F)c2)CCN1	151478376	WEVMCNZLULVFIR-QMMMGPOBSA-N	301.268	1.675	50	20	DDGD	
C#CCSCCNC(=O)NNC(=O)CCCc1ccccc1	154114400	ZQWGBRCOAWAUQX-UHFFFAOYSA-N	319.430	1.706	50	20	DDGD	
CC(=O)Nc1nc(C(=O)NNc2ccncc2Cl)cs1	154806225	BLQRJUUUSDZACC-UHFFFAOYSA-N	311.754	1.907	50	20	DDGD	
NS(=O)(=O)CCCCNC(=O)c1cccc(CCl)c1	311901887	PYSMFWJJYAHLEU-UHFFFAOYSA-N	304.799	1.224	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)c2ccccn2)cc1[N+](=O)[O-]	8196723	JTRRDHKTNNCEPO-UHFFFAOYSA-N	315.289	1.106	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCCCOCC2CC2)c1	103598773	QDGMHLGCJRUIQR-UHFFFAOYSA-N	316.361	1.319	50	20	DDGD	
CS[C@H](C)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	105510289	JCPLQAHUQGSJPN-SECBINFHSA-N	312.464	1.822	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NNC(=O)[C@@H](CC)c1ccccc1	110964448	ICVHVRVFUAZGKD-QWHCGFSZSA-N	320.393	1.165	50	20	DDGD	
O=C(Cc1cc(Cl)c2c(c1)OCCO2)NNC(=O)C1CC1	24614571	YJEJYAVFAPLYHE-UHFFFAOYSA-N	310.737	1.211	50	20	DDGD	
CC(=O)N1CCC[C@@H](C(=O)NNc2cccc3cnccc23)C1	178484535	IOKZGHHNYOOYCO-CQSZACIVSA-N	312.373	1.936	50	20	DDGD	
COc1csc(C(=O)NNc2nc(-c3ccncc3)no2)c1	176717280	GNJNOJCJZJECBI-UHFFFAOYSA-N	317.330	1.959	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)N2CCCCCC2)c(O)c1	175551221	JQYPXYYRJCZKHT-CYBMUJFWSA-N	319.405	1.726	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@H]1C[C@H]1c1c(F)cccc1F	116562452	SMGIDALNDFPTSP-PELKAZGASA-N	320.299	1.793	50	20	DDGD	
COCCC(=O)NNC(=O)COc1cc(C)ccc1C(C)C	171253492	NBFLINKTMLBAMH-UHFFFAOYSA-N	308.378	1.681	50	20	DDGD	
Cc1[nH]c2ccc(C(=O)NNC(=O)C(=O)NC(C)C)cc2c1C	302720472	UMCVCPKXBXUKMQ-UHFFFAOYSA-N	316.361	1.070	50	20	DDGD	
C[C@@H]1CC[C@H](CCC(=O)NNC(=O)CCc2ccccc2O)O1	173158865	WNOVYVOBJIPTNG-TZMCWYRMSA-N	320.389	1.820	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cc(C#N)c[nH]2)cc1	175413408	ULWWMDDVEMRCDY-UHFFFAOYSA-N	312.329	1.289	50	20	DDGD	
CCOCC(=O)NNC(=O)CSc1ccc(Cl)cc1	66276939	FKUJAINDZKCHKR-UHFFFAOYSA-N	302.783	1.616	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1cc(F)ccc1F	126042798	YOJBSTKLXOLNNL-UHFFFAOYSA-N	313.304	1.487	50	20	DDGD	
COC[C@H](CCO)NS(=O)(=O)c1ccc(CCl)cc1	306040967	NFEUZDAHMSGKCI-NSHDSACASA-N	307.799	1.101	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@H]2CCOC2)c1	125065186	RHBXDTBQWFPDCS-ZDUSSCGKSA-N	320.389	1.681	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Nc2ccncc2F)c1	184242091	UMABWRLJBDDQKF-UHFFFAOYSA-N	318.308	1.761	50	20	DDGD	
CC(C)Cn1cc(C(=O)NNC(=O)c2ccc(Cl)nc2)cn1	182799096	SFJDBDCRTXCLQH-UHFFFAOYSA-N	321.768	1.662	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccc[nH]2)ccc1N(C)C	183685128	HFVFJQQXXVGEAB-UHFFFAOYSA-N	301.350	1.856	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CCc1cnn(C)c1C	120065042	DOSARCVOLRVZDH-UHFFFAOYSA-N	315.377	1.822	50	20	DDGD	
CCN1CCC[C@@H]1CNC(=O)NNC(=O)Cc1ccc(F)cc1	74493706	NSOVUZZGPNAGSC-CQSZACIVSA-N	322.384	1.183	50	20	DDGD	
CCN(CC)[C@H](CNC(=O)NNc1cccnn1)c1ccco1	77574583	IOLYCNTZWJJLLV-GFCCVEGCSA-N	318.381	1.779	50	20	DDGD	
C[C@H]1CCC[C@H](OCCCCCC(=O)NNC(=O)CO)C1	182763346	PRHKJQTXFUVVPN-STQMWFEESA-N	300.399	1.282	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccc(F)c(F)c1F	78760277	LOBHVFDYXHSYLB-UHFFFAOYSA-N	309.247	1.503	50	20	DDGD	
CC(C)(C)n1cc(NC(=O)C(=O)NNc2ccc(F)cc2)cn1	181357782	VUDHVHHYKPOVDD-UHFFFAOYSA-N	319.340	1.859	50	20	DDGD	
O=C(COC1CCCC1)NNC(=O)c1cccc([N+](=O)[O-])c1	44255055	BQYTUXUUBGBLDT-UHFFFAOYSA-N	307.306	1.315	50	20	DDGD	
CC(C)NC(=O)CN1CCN(C[C@H](C)CBr)CC1	133585841	GPNVIUPMSPRVKS-GFCCVEGCSA-N	320.275	1.160	50	20	DDGD	
COc1ncc(C)cc1NC(=O)C(=O)NNc1ccc(C)cc1	131418560	UCQWROPHIIOZAB-UHFFFAOYSA-N	314.345	1.789	50	20	DDGD	
CN(CC(=O)NNc1ccccn1)c1ccccc1[N+](=O)[O-]	181168238	LFMFJSAZUSIYJY-UHFFFAOYSA-N	301.306	1.569	50	20	DDGD	
Cc1nc(CCNC(=O)NNC(=O)c2ccccc2C)cs1	45490004	XBENWZWKTYHDCH-UHFFFAOYSA-N	318.402	1.947	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc([S@@](C)=O)cc2)o1	84292430	KPFCCCGSBBOAIW-NRFANRHFSA-N	306.343	1.400	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCc2ccccn2)cc1	42992998	IESZLUPLFHUGCJ-UHFFFAOYSA-N	312.373	1.831	50	20	DDGD	
O=C(CC[C@H]1CCOC1)NNc1nc2ccccc2c(=O)[nH]1	137213237	VHMMUTSYVKEXGF-JTQLQIEISA-N	302.334	1.183	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNc1ncc(Cl)cc1Cl	133023690	HFJHUVRDEUXOFD-UHFFFAOYSA-N	319.192	1.994	50	20	DDGD	
O=C(Cc1ccc(O)cc1)NNC(=O)Cc1ccccc1F	133710375	GLHLLHQFEVNEMU-UHFFFAOYSA-N	302.305	1.464	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C[C@@H](C)[C@H]2CCCNC2)n1	237304599	YKLQEPPSOOYBFU-PWSUYJOCSA-N	307.398	1.263	50	20	DDGD	
C[C@H](OC[C@H]1CCCO1)C(=O)NNC(=O)c1ccccc1F	146307190	KUZAWIZOBBDQLC-WDEREUQCSA-N	310.325	1.171	50	20	DDGD	
O=S(=O)(CCCCCl)Nc1cccnc1-n1cncn1	184766205	MNISZNIZUYCUOE-UHFFFAOYSA-N	315.786	1.423	50	20	DDGD	
CS(=O)(=O)CCCNC(=O)NNc1ccccc1Cl	264863867	NZVRHRAWEMDECC-UHFFFAOYSA-N	305.787	1.401	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CNCC(F)(F)F)c1ccccc1	264928870	RSBKOCFVTFISQI-UHFFFAOYSA-N	317.311	1.264	50	20	DDGD	
COC(=O)C[C@H]1CCCN1C(=O)NNC(=O)c1ccccc1C	269366637	RGMXLXMXTHQTDM-GFCCVEGCSA-N	319.361	1.377	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCC2(N(C)C)CCCC2)n1	266975914	QMMUPHASFNHKJZ-UHFFFAOYSA-N	322.413	1.294	50	20	DDGD	
CCN(CC)[C@@H](CNC(=O)NNC(=O)C1CCC1)c1ccco1	264795476	SLEZPPYJIYJRIP-ZDUSSCGKSA-N	322.409	1.793	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1C[C@@H](C)[C@H](C)C1	268883762	ADZVYMJTKJNHHO-ZIAGYGMSSA-N	303.406	1.273	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NCC1CCCC1	265660540	CMQYGGJKFHLCRT-UHFFFAOYSA-N	305.378	1.724	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)CN(C)C)cc1OCC	263903133	DYCPWKNHUSKICI-UHFFFAOYSA-N	323.393	1.197	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cccnc1N1CCCCC1	264748076	KRADELVBJBUKLW-UHFFFAOYSA-N	302.378	1.633	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@@H](NC(=O)NNc2nc3ccccn3n2)C1(C)C	276899970	NQXQLMYADKAODN-YUSALJHKSA-N	318.381	1.415	50	20	DDGD	
CO[C@H]1CCCN(C(=O)NNC(=O)COCc2ccccc2)C1	271306844	VWCDBYDTMNHWJJ-AWEZNQCLSA-N	321.377	1.055	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl	271447487	UEKOTIFYFKFTFU-MRVPVSSYSA-N	317.748	1.939	50	20	DDGD	
COc1ccc(C(=O)NN=c2nc(-c3ccncc3)[nH]o2)cc1	364086984	KYSYZRIBOCMXPS-UHFFFAOYSA-N	311.301	1.319	50	20	DDGD	
CCC(C)(C)N[C@H](C)C(=O)NNc1nc(-c2ccncc2)no1	273263030	TYFONSREHNARIX-SNVBAGLBSA-N	318.381	1.741	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCC[C@H]2CCCCO2)n1	272452919	BNCZMQVUJROIMV-LLVKDONJSA-N	309.370	1.379	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)CSc1ccccc1O	270680089	SNTWSIHCCRKMRQ-UHFFFAOYSA-N	321.402	1.618	50	20	DDGD	
O=C1COc2c(cccc2NC(=O)NNc2ncccc2F)N1	377796033	KFRVPFVFLPQSBS-UHFFFAOYSA-N	317.280	1.700	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1	274494945	KTSYDSAMBYSYCQ-IUCAKERBSA-N	315.295	1.900	50	20	DDGD	
COC(=O)[C@H]1CCC[C@@H](C(=O)NNc2ccc(OC)cn2)C1	275697921	YKTXLAXSBMBFIF-MNOVXSKESA-N	307.350	1.513	50	20	DDGD	
COCCN(C)NC(=O)c1oc2ccccc2c1CN(C)C	288386393	JGHGGLCBUIJZJK-UHFFFAOYSA-N	305.378	1.717	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1cc(Cl)ccc1F	283812998	ISNNQDXOADZSCP-UHFFFAOYSA-N	308.762	1.835	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNc1nc(-c2cccnc2)no1	282413288	CKTWLYIGJRTFJP-NGZCFLSTSA-N	303.322	1.388	50	20	DDGD	
CN1Cc2ccccc2[C@@H](NS(=O)(=O)CBr)C1	370082320	OBDPOIIKMZJEFK-NSHDSACASA-N	319.224	1.445	50	20	DDGD	
CCOC(=O)CCCNC(=O)NNC(=O)c1ccccc1C	289320173	XCZDIMYPWWMMRZ-UHFFFAOYSA-N	307.350	1.282	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccccc1NC(=O)NC(C)C	286475916	UVZRYSFKJXDVOH-UHFFFAOYSA-N	308.338	1.560	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CC=CC[C@H]2C)cc1	284828993	AZOPZBCRCJQBFJ-TZMCWYRMSA-N	315.373	1.683	50	20	DDGD	
CC[C@@H](C)[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	282365470	CAAQVIKLZOXHMH-VXGBXAGGSA-N	305.378	1.763	50	20	DDGD	
CC(C)N(C)C[C@@H](C)NC(=O)NNC(=O)c1ccc(C#N)cc1	290612429	CWHNIJWQBLLYAI-GFCCVEGCSA-N	317.393	1.231	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNC(=O)CC2CC2)cc1OC	294113535	KANYVZHHBZMJHT-LLVKDONJSA-N	320.389	1.830	50	20	DDGD	
CCNC(=O)[C@@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C(C)C	294451643	UKADWRKDXKUUAL-CTXBLAANSA-N	315.373	1.576	50	20	DDGD	
N#Cc1ccncc1C(=O)NNC(=O)CCCc1ccccc1	805177448	BOKGQMFAOCEEDY-UHFFFAOYSA-N	308.341	1.737	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1CCC[C@@H]1CCCF	800808907	UOYSTPQOTZDGDA-ZIAGYGMSSA-N	313.417	1.977	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCCCO3)O1	294114321	FJKCDZZNYBCRQA-GWCFXTLKSA-N	320.345	1.176	50	20	DDGD	
CCOC1(C)CCN(CC(=O)NNC(=O)c2ccccc2)CC1	298218759	FOUGMEGUYNOERA-UHFFFAOYSA-N	319.405	1.339	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)NC2Cc3ccccc3C2)O1	298234457	INSUVYPVOGKOMV-HZMBPMFUSA-N	303.362	1.052	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Nc2cc(C3CC3)ccn2)cn1	290233476	ZOKHVCCTAVGMTB-UHFFFAOYSA-N	300.322	1.159	50	20	DDGD	
COCc1ccc(NC(=O)C(=O)NNc2cccc(F)n2)cc1	807392064	FLBSVDCQTMERBY-UHFFFAOYSA-N	318.308	1.449	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1C	294163639	IKSGMMAVFUPZRN-FZMZJTMJSA-N	322.361	1.097	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCCCO2)c(C)c1	296684185	ITBUWGWOZPLPFR-GFCCVEGCSA-N	312.391	1.182	50	20	DDGD	
O=C(CCc1nccs1)NNc1ccc(-n2ccnc2)nn1	804957492	KLKXOCYESWHFLK-UHFFFAOYSA-N	315.362	1.195	50	20	DDGD	
O=C(CCc1nc(-c2ncccn2)no1)NCC(Cl)Cl	808131326	KSGUSYPFAZBAFW-UHFFFAOYSA-N	316.148	1.379	50	20	DDGD	
Cn1cccc1CNC(=O)NNc1ccc2c(=O)[nH]ccc2c1	806890397	DNVWBWJEZWGZDJ-UHFFFAOYSA-N	311.345	1.693	50	20	DDGD	
CCC[C@H](CNC(=O)NNC(=O)c1cccc(N(C)C)c1)OC	296843118	LAECUWQWWLSJST-CQSZACIVSA-N	322.409	1.512	50	20	DDGD	
Nc1nc(C2CC2)ncc1C(=O)NNc1ccc(F)cc1F	806791577	BAEPMFRBEZEXKA-UHFFFAOYSA-N	305.288	1.971	50	20	DDGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1cc([N+](=O)[O-])n[nH]1	806903114	DMUUJVODNADDNI-UHFFFAOYSA-N	316.199	1.489	50	20	DDGD	
Cc1nnc(CC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)o1	813365470	JMFHJQIMNVVHQZ-UHFFFAOYSA-N	316.361	1.679	50	20	DDGD	
CC(=NNC(=O)[C@H]1COCCO1)[C@H](C)CCCCC(=O)O	814860740	KOWMBJZRRBDSDU-ZYHUDNBSSA-N	300.355	1.175	50	20	DDGD	
CCCN(CC)C[C@H](C)NC(=O)NNC(=O)c1ccccc1	811853856	LHAWZBHQOIYLLK-ZDUSSCGKSA-N	306.410	1.751	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cnc(-c2ccccn2)s1	819135659	AQPHELVZKJNXNX-UHFFFAOYSA-N	302.359	1.766	50	20	DDGD	
COC(=O)c1ccc(F)c(NC(=O)NNc2ncncc2F)c1	814587771	ACGBSDFSUDTJOR-UHFFFAOYSA-N	323.259	1.690	50	20	DDGD	
Cc1nnsc1C=NNC(=O)c1cc([N+](=O)[O-])ccc1O	814222253	DZCPKWFLWJHLGN-UHFFFAOYSA-N	307.291	1.224	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)[C@@H]1C[C@H](CC(=O)O)C1(C)C	814912778	APQJPEGUHVTSFU-OLZOCXBDSA-N	324.425	1.456	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2cnc(O)[nH]2)cc1	819985205	GMBSUDVFDNSMJM-GHXNOFRVSA-N	312.329	1.737	50	20	DDGD	
Cn1ncc(C=NNC(=O)COc2ccccc2C#N)c1Cl	814743229	ZDIXVSLCZHISID-UHFFFAOYSA-N	317.736	1.474	50	20	DDGD	
CSCCNC(=O)NNC(=O)c1ccc2ccccc2n1	726278911	NOWRLQOFVKUEJZ-UHFFFAOYSA-N	304.375	1.542	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)C(C)(C)c2ccccc2)cc1Cl	823209128	PDIHNRKDOQFUCM-UHFFFAOYSA-N	320.780	1.812	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1cccc(N2CCNC2=O)c1C	491043659	AFQYMKCDDBQLSN-BENRWUELSA-N	314.345	1.907	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	823315869	VTVGSTHYWOBMPX-AWEZNQCLSA-N	316.361	1.448	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cccc(N2CCCC2)c1	823804688	SIUBPBGOCXNXKB-UHFFFAOYSA-N	302.378	1.641	50	20	DDGD	
CCOC(=O)NN=Cc1cc(C)n(CCN2CCOCC2)c1C	490620069	QOMMPXYLPNJMTE-UHFFFAOYSA-N	322.409	1.517	50	20	DDGD	
Cc1cccc(CN(C)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1C	827269208	WBOZRDQNKOEDBX-HIFRSBDPSA-N	319.405	1.901	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(OC[C@H]2CCCO2)cc1	823834274	ZKARNEJQADLUNF-OAHLLOKOSA-N	308.378	1.203	50	20	DDGD	
CN(NC(=O)c1cc(C(F)(F)F)n[nH]1)C(=O)OC(C)(C)C	496908076	CYFPMTADHOWBDC-UHFFFAOYSA-N	308.260	1.940	50	20	DDGD	
CC(C)(O)[C@H](Oc1ccccc1)C(=O)NNc1ncccn1	820935363	RDZPVBFEYNFBGH-GFCCVEGCSA-N	302.334	1.138	50	20	DDGD	
C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)NNc1cccnn1	494948907	CPLUHVHBQFOTAQ-JTQLQIEISA-N	324.385	1.406	50	20	DDGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)OC[C@@H]2C1	493312820	RDBZPISUAHSZNM-MCOWIHPBSA-N	314.301	1.596	50	20	DDGD	
CCCc1c(C(=O)N2CC[C@H](B(O)O)C2)[nH]c(C)c1C(C)=O	585071813	BAAOQOJODHADHN-NSHDSACASA-N	306.171	1.167	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1	821783340	HFMIQSJCGXYAIU-JTQLQIEISA-N	319.283	1.431	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2cn3ccccc3n2)ccn1	731560965	HVZFTILMHDWZMZ-UHFFFAOYSA-N	308.345	1.559	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H](C(=O)NNc1cccnn1)C(C)(C)C	495047084	KRYSRIXMJJZOOD-LLVKDONJSA-N	323.397	1.859	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(Br)c(OC)c1	492846953	SYNMKFAFOSITDT-UHFFFAOYSA-N	318.127	1.850	50	20	DDGD	
CC1(C)C[C@H]1CNC(=O)NNc1ccc(-n2cccn2)nn1	732892645	GOWZJGVPZKHMMT-JTQLQIEISA-N	301.354	1.335	50	20	DDGD	
Cc1ccc(Cl)c(O[C@@H](C)C(=O)N2CC[C@H](B(O)O)C2)c1	585076988	PEEMWRHSOJYHRN-QWRGUYRKSA-N	311.574	1.491	50	20	DDGD	
CNC(=O)/C(C#N)=C\c1ccccc1OCC(=O)N1CCCC1	490550210	PCOULCYCOIYSRJ-UVTDQMKNSA-N	313.357	1.341	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2	837598456	RGRKLZGGYOSPRS-QJPTWQEYSA-N	301.346	1.763	50	20	DDGD	
O=C(CN1CCS[C@@H](c2ccccc2)C1)NNC(=O)C1CC1	735495270	SFOCGHWJLXKRGD-CQSZACIVSA-N	319.430	1.334	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CSC(F)F)cc1	831940140	PVVHULAKALHIPP-UHFFFAOYSA-N	305.306	1.804	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCC2(C1)OCCO2	588430377	JVGONJCHAXWHAH-LCYFTJDESA-N	302.305	1.708	50	20	DDGD	
Cc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1ccc(B(O)O)cc1	584949628	GGOBYNHBICIRHK-AEFFLSMTSA-N	309.174	1.135	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@@H]1CCCN1CC(F)(F)F	830956030	UHDOCXXHNMVLRZ-UQSGXBNBSA-N	305.300	1.573	50	20	DDGD	
C[C@H](NS(=O)(=O)CCl)c1ccc(N2CCCC2=O)cc1	830206833	ZJEDHRRHHPLYOF-JTQLQIEISA-N	316.810	1.990	50	20	DDGD	
C/C(Cl)=C/C(=O)NNc1ccccc1S(=O)(=O)N(C)C	908363306	KDXDEZQREKEFQR-HJWRWDBZSA-N	317.798	1.523	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc2c(c1)C[C@H](C)O2	901194804	OWZHBTGPYKZJGG-RYUDHWBXSA-N	306.362	1.512	50	20	DDGD	
CN(C)C[C@@H]1CN(S(=O)(=O)CCl)c2ccccc2O1	830868499	FFFPQYRQVGJGJH-SNVBAGLBSA-N	304.799	1.342	50	20	DDGD	
CC(C)CC1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1	584962746	QJKJIULFLAXHNY-UHFFFAOYSA-N	307.174	1.404	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2(O)CCCCC2)c1F	837060496	LUJQZBHRNMNDJB-UHFFFAOYSA-N	310.325	1.751	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCc2ccc(O)cc2C1	738323175	BKNLRPNAFRMBKP-GFCCVEGCSA-N	319.405	1.332	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NNC(=O)c1cc2c(s1)CCC2	731503088	WQIKTQAPCWKXPB-UHFFFAOYSA-N	324.406	1.258	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCC[C@H]1c1ccsc1	584930343	VTQPVYANWDNEOF-AWEZNQCLSA-N	301.176	1.405	50	20	DDGD	
CCOc1ccccc1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	831068378	UCTGLNHRCBPHBL-GHMZBOCLSA-N	307.350	1.663	50	20	DDGD	
O=C(NNC(=O)Nc1cc(F)cc(F)c1)NOCC1CC1	838610110	AQRHEANLXFMORK-UHFFFAOYSA-N	300.265	1.642	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1NC(=O)NNc1ccc(-n2cccn2)nn1	838761652	VZOIOJZCLDAPGH-WDEREUQCSA-N	301.354	1.333	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H](N2[C@H](C)CC[C@H]2C)C1	735493598	YQJKSBMQJNQKDA-KBXIAJHMSA-N	324.469	1.270	50	20	DDGD	
CCC1(CNC(=O)NNc2cccc(C(=O)OC)c2)COC1	838696383	CJCGUYGIKPVTSS-UHFFFAOYSA-N	307.350	1.526	50	20	DDGD	
C[C@@H]1CC=C(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1	836204203	ZXTZMLJHYJDQIU-IAQYHMDHSA-N	316.357	1.720	50	20	DDGD	
COc1cccc(S(=O)(=O)NNC(=O)OC(C)(C)C)c1F	848447811	GWRXWORUVSDZQJ-UHFFFAOYSA-N	320.342	1.552	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)s1	745485254	LSDYKQLYAOQQML-UHFFFAOYSA-N	314.370	1.937	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)N2CCOCC2)cc1F	745730061	MEBPSWBQRAJZHM-UHFFFAOYSA-N	312.370	1.377	50	20	DDGD	
Cn1cccc1CNC(=O)NNC(=O)c1ccc2ccccc2n1	743710358	NAEVDWUNTVRSRJ-UHFFFAOYSA-N	323.356	1.718	50	20	DDGD	
NC[C@@H](NC(=O)NNc1ccc(Cl)nn1)C1CCCCC1	841941463	YIJOPRVZBMCYNR-SNVBAGLBSA-N	312.805	1.664	50	20	DDGD	
Cc1cccc(C)c1OCC(=O)NNc1ccnc(N(C)C)n1	740104139	CXUPTGYQQSXCRY-UHFFFAOYSA-N	315.377	1.682	50	20	DDGD	
CN(NC(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1)C1CC1	846268308	KNEDWRXZHGXGOR-OKILXGFUSA-N	317.389	1.817	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	916634336	FLWZNARZGSOBCV-DYEKYZERSA-N	317.455	1.336	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1)[C@@H](C)O	842236917	XHGDHCYNKCKJPK-BDAKNGLRSA-N	322.390	1.306	50	20	DDGD	
CCN(C)c1ccc(C(C)=NNC(=O)CN2CCCC2=O)cc1	748076387	PNTQQXFSKQCMEL-UHFFFAOYSA-N	316.405	1.605	50	20	DDGD	
CC(C)CO[C@H](C)C(=O)NNC(=O)COc1ccc(C#N)cc1	915262453	XSLXJLAYRHXWBM-GFCCVEGCSA-N	319.361	1.146	50	20	DDGD	
C[C@H]1C[C@H]1c1ccc(C=NNC(=O)Cc2cc(O)nc(O)n2)o1	743447898	RNXXPSCVGCQBJE-GZMMTYOYSA-N	316.317	1.297	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(CCN(C)C)cc2)o1	847554853	KUNMKFLJXYVVSH-UHFFFAOYSA-N	315.373	1.767	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1cc(Cn2cccn2)on1	848082876	BUHZLFOOUJDSAD-UHFFFAOYSA-N	303.149	1.795	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCC(C)CC1)c1cncnc1C	848401517	ALFFHNHDYHZXCG-ZDUSSCGKSA-N	317.437	1.993	50	20	DDGD	
CCCC[C@@H](CN)NC(=O)NNC(=O)Cc1ccccc1C	841957003	DEFQQIXAVBIDQP-AWEZNQCLSA-N	306.410	1.385	50	20	DDGD	
COc1ccc(F)cc1C(=O)NNc1ccnc(N(C)C)n1	740102080	ATGDXVFJLFNUEU-UHFFFAOYSA-N	305.313	1.447	50	20	DDGD	
Cc1cc(C(=O)NN(C)C[C@H](C)O)ccc1NC(=O)CC(C)C	910161991	BZYRHMLGRQGZJK-ZDUSSCGKSA-N	321.421	1.937	50	20	DDGD	
Cc1ccc2oc(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)cc2c1	843645725	NZSZJJDGLZOAHD-ZYHUDNBSSA-N	302.330	1.927	50	20	DDGD	
CCC[C@@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1	744771980	HKPNABKMKDZSED-LLVKDONJSA-N	317.345	1.299	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1ccc(-n2cncn2)c(F)c1	842553880	GKLLDIOQRSDTBH-PWSUYJOCSA-N	317.324	1.282	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccccn2)ccc1[N+](=O)[O-]	916967876	AYHZREFZIOKFSF-UHFFFAOYSA-N	315.289	1.765	50	20	DDGD	
C[C@H](Oc1cccc(C=NNC(=O)c2cccnc2)c1)C(=O)O	746676983	ODOXQWBPTWWJQA-NSHDSACASA-N	313.313	1.697	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cccc2c1CN(C)C2=O	841735006	OCLFMQIQJSSGKF-UHFFFAOYSA-N	304.350	1.471	50	20	DDGD	
C[C@H]1CCC[C@H]1CC(=O)NNc1ccccc1S(N)(=O)=O	842262189	RGVNMUIPOMRYGS-QWRGUYRKSA-N	311.407	1.603	50	20	DDGD	
CS[C@@H]1CC[C@@H](NC(=O)NNC(=O)c2ccccc2O)C1	745897617	RBHWABXUMINDNQ-NXEZZACHSA-N	309.391	1.620	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Cc1cccc2cccnc12	747428870	YUMZSKZOAYFJRO-UHFFFAOYSA-N	320.352	1.562	50	20	DDGD	
CC(C)C[C@@H](C(=O)NNC(=O)C(=O)NC1CC1)c1ccccc1	740815955	UPOMYBXTJXBWHW-CQSZACIVSA-N	317.389	1.242	50	20	DDGD	
Cc1nc(/C(C#N)=C/c2cn(C)c(=O)n(C)c2=O)sc1C	741474364	OJTPLHMHECNWSA-BJMVGYQFSA-N	302.359	1.222	50	20	DDGD	
Cc1cc(C=NNC(=O)c2cnn(C)c2)ccc1-n1cncn1	743440813	ZZCDJGMLJNQPNN-UHFFFAOYSA-N	309.333	1.073	50	20	DDGD	
Cc1ccc([C@H](C)[C@H](O)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	843978086	ITPDGYOVVUXOPH-NEBZKDRISA-N	320.389	1.032	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc2c(c1)CC(C)(C)O2	748259514	WNBZYKLDJHDSDU-LBPRGKRZSA-N	320.389	1.902	50	20	DDGD	
O=C(NC[C@H]1CCCN1)NNc1ccccc1OC(F)(F)F	841936903	MRZBDOBKUWAFKR-SECBINFHSA-N	318.299	1.963	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1c[nH]nc1-c1ccccc1	843978097	VNTSXRXTCRUHAV-PWSUYJOCSA-N	314.345	1.263	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc(C(=O)OC(C)(C)C)nc1	845150972	SPFXWUXBKLILID-UHFFFAOYSA-N	321.377	1.844	50	20	DDGD	
Cc1nnc(C(=O)NN=c2sc3ccccc3n2C)s1	758334093	BBZLDVFSRDNBSO-UHFFFAOYSA-N	305.388	1.645	50	20	DDGD	
OC[C@H](NC[C@H](CBr)C1CC1)[C@H]1CCCOC1	859328913	WEXBPIMPWOQPGE-AVGNSLFASA-N	306.244	1.785	50	20	DDGD	
Cc1noc(CCC(=O)NC[C@@]2(C)C[C@H]2Br)n1	857401675	GKSGKFDJGRMYQV-LDYMZIIASA-N	302.172	1.600	50	20	DDGD	
C[C@@]1(CNC(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1Br	857399950	SVOARSOWFHHEAY-SCZZXKLOSA-N	317.143	1.081	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(C(F)(F)F)nn2C)nc1	857490005	GUZIRWNWWLDAMT-UHFFFAOYSA-N	315.255	1.599	50	20	DDGD	
C[C@@]1(C(=O)NNc2ccc(Br)nc2)CCOC1	758152428	YJSQUFYQBKCCPY-LLVKDONJSA-N	300.156	1.714	50	20	DDGD	
O=C(CCc1ncccn1)NNc1cc(C(F)(F)F)ccn1	857513248	BHJNSZVEGDCYDS-UHFFFAOYSA-N	311.267	1.966	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNC(=O)CC(C)C)[C@@]12CCCO2	759319819	FFOZCDAIQZWHAE-ZOWXZIJZSA-N	313.398	1.090	50	20	DDGD	
CCCCc1ccc(C(=O)NNc2ccc(C(N)=O)nn2)cc1	757406707	FOPJPFMHHWVWLH-UHFFFAOYSA-N	313.361	1.675	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H]2C[C@H](O)C2)c1C	856393057	JWUJVIXIMQGDQU-WUEVTPNOSA-N	317.389	1.298	50	20	DDGD	
CC[C@H]1COCC1=NNC(=O)c1cc(OC)c(OC)c(OC)c1	853259944	XKUFDEOQNRDNAU-JTQLQIEISA-N	322.361	1.855	50	20	DDGD	
CCNC(=O)C(C)(C)CNC(=O)NNc1ccc(F)c(F)c1	921567366	UICYSCHCQQBNAE-UHFFFAOYSA-N	314.336	1.753	50	20	DDGD	
C[C@]1(CNS(=O)(=O)CC2(CC#N)CC2)C[C@@H]1Br	856753544	TULBCNLIWMSKPR-VHSXEESVSA-N	321.240	1.773	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C	854162964	CTNAZGSYEGAEPG-SECBINFHSA-N	302.371	1.768	50	20	DDGD	
CN(CC(=O)N1CCOCC1)C[C@@H](CBr)C1CC1	859068376	SXVAEWWWASWJMM-GFCCVEGCSA-N	319.243	1.198	50	20	DDGD	
O=C(NNc1ccccc1Cl)N[C@H]1CCCS(=O)(=O)C1	758660127	APVPOXSZLXORGL-VIFPVBQESA-N	317.798	1.543	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1nc2c(s1)COCC2	756626247	BHDSKANOPQRRPG-UHFFFAOYSA-N	319.346	1.077	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	755623273	QFRMHDXNQBTPBO-JTQLQIEISA-N	321.377	1.062	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccc(F)c2cccnc12	759197898	XEWBJMZLUSQSQF-UHFFFAOYSA-N	302.309	1.349	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1nc(Cl)ccc1F	759037665	ZUAYWSUKYVCVRF-UHFFFAOYSA-N	323.711	1.958	50	20	DDGD	
CCC(CC)c1nnc(NC(=O)NNC(=O)c2cc[nH]n2)s1	854247271	XVUIPISGYHDDAQ-UHFFFAOYSA-N	323.382	1.631	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCC[C@@H](C)N(C)C	855411653	QNXPYKZQLLISDS-SNVBAGLBSA-N	300.834	1.809	50	20	DDGD	
Cc1cc(CNC(=O)NC[C@]2(C)C[C@H]2Br)n(C)n1	856856219	QRTMZEPSDIOUJK-PWSUYJOCSA-N	315.215	1.701	50	20	DDGD	
C[C@@H](NC(=O)NNc1cc(F)cc(Cl)c1)c1ncn(C)n1	854012292	MCDPNCOXYYKQPV-SSDOTTSWSA-N	312.736	1.995	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)NC2CCCC2)COc2ccccc2O1	858852985	FBMIEYSNPKZJNK-INIZCTEOSA-N	319.361	1.490	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C[C@H]2CCC(=O)N2C)cc1	854215272	DXLOYNZUYHFZTI-CYBMUJFWSA-N	303.362	1.021	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=Cc1ccnn1CC1CC1	853272073	MZJLXIZMNWLTGH-UHFFFAOYSA-N	323.356	1.694	50	20	DDGD	
Cc1cc(Cl)c(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1C	861157276	VWROEEYGFOIVSS-JTQLQIEISA-N	324.768	1.388	50	20	DDGD	
CCCCCC[C@](C)(CC)C(=O)NNC(=O)CS(C)(=O)=O	863462931	OJXAJRCFVHJMAK-AWEZNQCLSA-N	320.455	1.565	50	20	DDGD	
CCOc1c(Cl)cccc1C=NNC(=O)[C@H]1CCC(=O)N1	863152962	JSEHWLLQRJLELG-LLVKDONJSA-N	309.753	1.467	50	20	DDGD	
COC(=O)C[C@@H](NS(=O)(=O)CCl)c1cccc(C)c1	867896309	NTBPNBKCMQCTQT-LLVKDONJSA-N	305.783	1.715	50	20	DDGD	
Cc1nonc1CNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	769872822	PMWWWZAFOWKXFW-PTOFAABTSA-N	314.183	1.948	50	20	DDGD	
O=C(NN=Cc1ccc(-n2cncn2)cc1)c1ccccc1O	863951404	HDIVNDFLAQLHCB-UHFFFAOYSA-N	307.313	1.737	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cc2n(n1)CCCO2	762231614	TZUQWVLCRBDKKZ-UHFFFAOYSA-N	316.317	1.209	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2cn[nH]c2)c1C(C)C	862472988	ZIBSIJPTARVFIT-UHFFFAOYSA-N	317.349	1.447	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)C(F)(F)C2(O)CCC2)c1	862478693	MIFKQRBXVWETCP-UHFFFAOYSA-N	304.318	1.368	50	20	DDGD	
C[C@H](NNC(=O)c1cnc(C2OCCO2)s1)C(F)(F)F	862320424	RFRTUTIYLMKEGK-YFKPBYRVSA-N	311.285	1.374	50	20	DDGD	
CCc1ccc([C@@H](C)CC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1	862454515	HMYWYEKGXVLTTC-SMDDNHRTSA-N	317.389	1.169	50	20	DDGD	
N#C/C(=C\c1ccccc1)C(=O)OCC(=O)NC[C@H]1CCCO1	864095514	OXZZGQUUGRUMLT-AAWPKVBNSA-N	314.341	1.432	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnc(-c2cccnc2)s1	761390658	WGIQUEGCBDTEQM-UHFFFAOYSA-N	319.390	1.949	50	20	DDGD	
COCC1(O)CCN(S(=O)(=O)CC(C)(C)CCl)CC1	867021527	BKHXBBJQAGTOJK-UHFFFAOYSA-N	313.847	1.055	50	20	DDGD	
C[C@H](NNC(=O)c1cccc2c1oc(=O)n2C)C(F)(F)F	862314750	IRRUSNQGTVUFRB-LURJTMIESA-N	303.240	1.317	50	20	DDGD	
COc1ccc(NNC(=O)COc2cccnc2)c([N+](=O)[O-])c1	768329047	NJBCGFAMANGDFU-UHFFFAOYSA-N	318.289	1.521	50	20	DDGD	
COCCOCC(=O)NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	869907966	GZXXGCUINZXREJ-BFHYXJOUSA-N	312.410	1.403	50	20	DDGD	
CSc1ccc(C)c(NC(=O)C(=O)NNC(=O)C(C)C)c1	763830949	BOBKQIXNZZYERL-UHFFFAOYSA-N	309.391	1.459	50	20	DDGD	
O=C(CCc1cnc[nH]1)NNc1cncc(Br)c1	1116882734	FAANGPTWTXXMMC-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
C[S@](=O)CCCNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	769805602	KXTOFPBQQYZSEZ-XLKPWHTISA-N	322.268	1.825	50	20	DDGD	
CCCN1C(=O)C(=NNC(=O)COCC)c2cc(C)ccc21	872349736	DCNZAOVOJZFLQB-UHFFFAOYSA-N	303.362	1.608	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2CCNC(=O)C2)cc1C	873763619	FCTVUSUUHYSBIR-NSHDSACASA-N	320.418	1.147	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCCO2)N[C@@H]1CC12CCC2	873257372	TZDSRTLTEIVRME-CYBMUJFWSA-N	317.345	1.344	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc(OC)nc2Cl)n1	775671647	YJHONMOCUXZXIU-UHFFFAOYSA-N	324.728	1.691	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1cccc(C)c1Cl	775674018	WYWBUKGGOLZZHJ-UHFFFAOYSA-N	319.814	1.941	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2nccs2)c1	770674960	DGUVEXMYYGAGKG-UHFFFAOYSA-N	305.359	1.600	50	20	DDGD	
CN1CCCC[C@@H]1C(=O)NNC(=O)c1nc2ccccc2s1	874914190	NQVITUUGPBBMNO-LLVKDONJSA-N	318.402	1.542	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(C)c(Br)n1	879510611	HAJUEGGBQVKHSF-UHFFFAOYSA-N	317.187	1.767	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNc1ccc(C(C)(C)C)nn1	1117939616	WSTQASFZPQWOON-SNVBAGLBSA-N	308.382	1.807	50	20	DDGD	
Nc1cnnc(NNC(=O)/C=C\c2cccc(O)c2)c1Cl	1118986538	WOKSHVFWNUDOQN-PLNGDYQASA-N	305.725	1.574	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)C2=CCOCC2)c1	873756620	KETCMDHWPVXEKW-UHFFFAOYSA-N	305.403	1.968	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc2cc(C)ccc2[nH]1	770245612	GJGPXHMRENFKEG-UHFFFAOYSA-N	322.459	1.948	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)c1c(C)nc2ccccn12)C(C)C	771107667	XRQXQOITJOBGMJ-ZDUSSCGKSA-N	304.350	1.075	50	20	DDGD	
C=CCOc1cccnc1C(=O)NNc1nc(C)cc(OC)n1	775540018	XTTRWENYRWSUJI-UHFFFAOYSA-N	315.333	1.510	50	20	DDGD	
CC(=NNC(=O)CO)c1cc(Br)c(F)cc1O	776778102	SVLIWGGSWFXFSJ-UHFFFAOYSA-N	305.103	1.126	50	20	DDGD	
CCCC[C@@H](CC)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	886577433	IOLQXPFIADXNIM-OLZOCXBDSA-N	304.456	1.695	50	20	DDGD	
C[C@@H](c1ccco1)N(C)CC(=O)NNC(=O)c1cccs1	777564232	SCYIZUDCMDDBGH-JTQLQIEISA-N	307.375	1.795	50	20	DDGD	
Cn1ccc(CNC(=O)NNc2cccc(S(C)(=O)=O)c2)c1	776623224	IUTMZIIJJQTFCA-UHFFFAOYSA-N	322.390	1.255	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1c(C)cccc1[N+](=O)[O-]	771913173	JYLOPWYOIWPXNZ-SECBINFHSA-N	323.305	1.006	50	20	DDGD	
COCC1(CNC(=O)NNc2ccc(C#N)cn2)CCCC1	889201086	JGLZSXDMKZSKJA-UHFFFAOYSA-N	303.366	1.786	50	20	DDGD	
Cc1c(C#N)cccc1NC(=O)C(=O)NNc1cccc(C#N)c1	773683036	PHOZMGXDACUVQC-UHFFFAOYSA-N	319.324	1.820	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCS1	772165598	NSNQRYHVIBOFAQ-ZJUUUORDSA-N	302.396	1.007	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](F)c1ccccc1	772362937	GPAIYYVYTNDBGB-BXUZGUMPSA-N	324.352	1.822	50	20	DDGD	
CCOC(=O)[C@@H](NS(=O)(=O)CBr)C(C)(C)C	782467245	KMHZSZMBEYWPSV-SSDOTTSWSA-N	316.217	1.236	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cc(F)ccc2F)ncn1	783947953	OGZCTZSPTWOPEV-UHFFFAOYSA-N	307.260	1.145	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@H]1CCCc2sccc21	883621780	XDRFVFWTWWCJGK-LBPRGKRZSA-N	323.418	1.883	50	20	DDGD	
CC1CCN(C[C@H](C)NC(=O)NNc2ccc(C#N)cn2)CC1	889362661	MUVVJBIOCOVSGY-ZDUSSCGKSA-N	316.409	1.700	50	20	DDGD	
COCCCn1cc(C(=O)NNc2ccc(F)c(F)c2)cn1	885115340	FVCKSQVVWCLGMN-UHFFFAOYSA-N	310.304	1.955	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccc(C#N)cc2)ccc1O	785408759	WFHYEYCMOYPLTB-UHFFFAOYSA-N	311.297	1.347	50	20	DDGD	
Cc1ccc(F)cc1NC(=O)C(=O)NNc1ncc(F)cn1	784949171	GJVLEZPYKIEYKV-UHFFFAOYSA-N	307.260	1.145	50	20	DDGD	
Cc1ccn2c(=O)c(C(=O)NNc3ccnc(F)c3)cnc2c1	781363504	RSROLQUGIZSKRP-UHFFFAOYSA-N	313.292	1.294	50	20	DDGD	
COCCCN(C)CCNC(=O)[C@@H](Br)C(C)(C)C	781093778	NRGVBGBEXMILBT-LLVKDONJSA-N	323.275	1.881	50	20	DDGD	
CCS[C@@H]1CCCC[C@H]1N[C@@H](C)C(=O)NNC(=O)CC	787305598	JTAKGXCDALHKEC-QJPTWQEYSA-N	301.456	1.586	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCCc1ccccc1C(=O)OC	899236372	OTZCFOGAQXUVLD-QBFSEMIESA-N	302.330	1.576	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(C)(C)c2cccnc2)c(O)c1	781419328	FNCFFWGYEYHAFS-UHFFFAOYSA-N	313.357	1.834	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)Cc1ccccc1OC	795017703	OYSCJSREYCWTTA-ABAIWWIYSA-N	308.378	1.446	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)c1O	893023492	RINOOHUMOKVTHP-JWSAXSAHSA-N	316.357	1.454	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2ccc(Cl)cc2F)C(=O)O1	896380594	IUHPSJRLIVTNDL-WKEGUHRASA-N	301.705	1.809	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCc2ncccc2F)n1	793121003	YDJBXOTXBSOTRK-UHFFFAOYSA-N	303.297	1.068	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)c2ccc[nH]2)c1F	794618101	FROHAXMXIHXEBJ-UHFFFAOYSA-N	305.309	1.556	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1ccc(C(N)=O)cc1F	792319152	PIJCWFNSXYDBQO-UHFFFAOYSA-N	303.297	1.777	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCc2csc(C)n2)n1	792800366	FGTGJKACSPGWIN-UHFFFAOYSA-N	305.363	1.299	50	20	DDGD	
CC(C)n1ccc(NC(=O)C(=O)NNc2cccc(C#N)c2)n1	797019485	GACKYPGCKHJORE-UHFFFAOYSA-N	312.333	1.417	50	20	DDGD	
O=S(=O)(c1ccc(CCCl)cc1)N1C[C@H]2COC[C@H]2C1	718374089	MYCYDSOHDABPQY-BETUJISGSA-N	315.822	1.735	50	20	DDGD	
O=C(CCl)NCCCC(=O)N1CCN(c2ccccc2)CC1	1319922201	YZRRKUFSRMWIRR-UHFFFAOYSA-N	323.824	1.470	50	20	DDGD	
Nc1cnnc(NNC(=O)NC2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c1Cl	1324088620	SIUYOTPLCVTBIC-HMJBSVBGSA-N	308.773	1.383	50	20	DDGD	
Cc1ccc(OC[C@@H](C)NC(=O)NNC(=O)c2cn[nH]c2)cc1	1329158363	DUMZFWOQVPJYCM-LLVKDONJSA-N	317.349	1.130	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cn(C)cc1C(F)(F)F	1329541063	WTPXTLWXRJOCKV-YUMQZZPRSA-N	319.283	1.230	50	20	DDGD	
Cn1ccc(NNC(=O)c2ccc(OCC(F)(F)F)nc2)n1	1326697964	SUMBFOLYLHGAHI-UHFFFAOYSA-N	315.255	1.513	50	20	DDGD	
Cc1n[nH]c(C)c1C=NNC(=O)c1cncn1-c1ccccc1	1323088354	QBRDRZCHGFQHAU-UHFFFAOYSA-N	308.345	1.976	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Nc1ccc2c(c1)OCO2)n1ccnc1	1327173134	VCQQVHUPQMTSEP-SECBINFHSA-N	317.305	1.026	50	20	DDGD	
CC(C)c1ncc(C(=O)NNC(=O)COc2ccc(F)cc2)[nH]1	1323392237	YGHZNCPDZSQUFI-UHFFFAOYSA-N	320.324	1.512	50	20	DDGD	
CC[C@H](CC(F)(F)F)NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	1326767225	QBJAPSJDSYCDME-DJLDLDEBSA-N	311.304	1.473	50	20	DDGD	
O=C(NNc1cncc(Br)c1)[C@@H]1C[C@@]12CCOC2	1320357819	IKSAXSQWDZVFGW-CMPLNLGQSA-N	312.167	1.714	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1CCCCN1Cc1cccnc1	1254373928	IHZUJLAXOBEPPS-AWEZNQCLSA-N	319.409	1.129	50	20	DDGD	
Cc1ccc(NC(=O)N(C)C)c(C(=O)NNc2cccnn2)c1	1254615202	MFMFYZNAGVOWMI-UHFFFAOYSA-N	314.349	1.635	50	20	DDGD	
C=C[C@](C)(CCOC)C(=O)NN(C)C(=S)NCCCOC	1333781222	YPHQVAGYMPABLY-CQSZACIVSA-N	317.455	1.089	50	20	DDGD	
CCN(C(=O)C(=O)NC[C@]1(C)C[C@H]1Br)C1CC1	1331374885	MYCAAYWIJMDUNZ-SKDRFNHKSA-N	303.200	1.287	50	20	DDGD	
CCC[C@H](CC)NC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1261765282	FBIZLMXOTUXIQJ-OPQQBVKSSA-N	319.243	1.971	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H](c2ccccc2F)C1)c1cn[nH]c1	1261792038	KBZUGHSZVPNSQA-JTQLQIEISA-N	317.324	1.393	50	20	DDGD	
Cn1nccc1COCC(=O)NNC(=O)c1ccccc1Cl	1346314665	FBUPRVLNDMAYNF-UHFFFAOYSA-N	322.752	1.051	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC2(C(F)(F)F)CC2)c(O)c1	1351688593	DAWPPWXZWMNLDF-UHFFFAOYSA-N	317.267	1.740	50	20	DDGD	
Cc1cccc2sc(NNC(=O)CO[C@@H]3CCOC3)nc12	1352253040	SWKLPNSULQRJHG-SNVBAGLBSA-N	307.375	1.853	50	20	DDGD	
CC1(C)CC(=NNC(=O)c2cccnn2)c2ccc(O)cc2O1	1353080789	RFGDCOSZMUNHLV-UHFFFAOYSA-N	312.329	1.877	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1cc(C(=O)O)oc1C	1600575859	RXVAJOJEVMAANY-UHFFFAOYSA-N	316.313	1.598	50	20	DDGD	
O=C(O)c1ccccc1C(=O)NN=c1cc[nH]c2cccnc12	1608944821	VDPHJQTWBMIXBC-UHFFFAOYSA-N	308.297	1.507	50	20	DDGD	
CN(NC(=O)NCc1ccc(-c2nn[nH]n2)cn1)c1ccccc1	1609281647	TXFLRKCBRRCXRA-UHFFFAOYSA-N	324.348	1.112	50	20	DDGD	
Nc1ncnc2cc(C(=O)NNc3cccc(C(=O)O)c3)ccc12	1601222771	NDFACDGDTCCWJT-UHFFFAOYSA-N	323.312	1.667	50	20	DDGD	
CC(C)[C@]1(C)C[C@@H]1NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1603237564	DFHHXPOZGXZXNG-HZMBPMFUSA-N	316.369	1.322	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2ccc(C(=O)O)c(F)c2)c1[N+](=O)[O-]	1607500785	YGWJTXNHUHBJID-UHFFFAOYSA-N	323.240	1.221	50	20	DDGD	
O=C(O)c1cc(OC(=O)C2(F)CCOCC2)ccc1[N+](=O)[O-]	1608857646	UWBTTYCJYSDOLZ-UHFFFAOYSA-N	313.237	1.717	50	20	DDGD	
Cc1nn(C)c2nc(Cl)cc(NNC(=O)CCC(=O)O)c12	1605437524	DZEBSTRSBWSWBW-UHFFFAOYSA-N	311.729	1.238	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cscc1-c1nn[nH]n1	1605948035	MPVONVUZGAMYIP-UHFFFAOYSA-N	301.335	1.389	50	20	DDGD	
O=C(Cn1cc(C2CC2)cn1)NNc1ccc(-c2nn[nH]n2)cc1	1606617400	LRHGFAVBWHLXEW-UHFFFAOYSA-N	324.348	1.084	50	20	DDGD	
O=C(O)Cc1cccc(NC(=O)NNC(=O)C2CCCC2)n1	1608786383	CMYIEVNDDZYZBE-UHFFFAOYSA-N	306.322	1.052	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccccc1OCC(=O)O	1605345546	FGZMHPOYLGAADS-WQLSENKSSA-N	309.343	1.839	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2sccc2C(=O)O)cn1	1608108586	AMGDUVROOFSSGS-WTKPLQERSA-N	302.315	1.725	50	20	DDGD	
O=C(NN=C1CCCc2ccccc21)[C@@H]1CN2CCC[C@H]2CO1	1549315111	LFDXCWGWKJLXQJ-YOEHRIQHSA-N	313.401	1.706	50	20	DDGD	
C[C@@H]1COCCC1=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccnn1C	1549320764	PNRGUSIQPDWTAF-JMSVASOKSA-N	320.393	1.416	50	20	DDGD	
C[C@H](Sc1ccc(Cl)cc1)C(=O)NNC(=O)[C@H]1CCN1	1576300003	HYNKOUZWMINJED-GZMMTYOYSA-N	313.810	1.330	50	20	DDGD	
C[C@@H]1CCN[C@H](C(=O)NNc2cc(Br)ncn2)C1	1576743764	AWYRYNACRUITSH-SFYZADRCSA-N	314.187	1.070	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CC2(CCNCC2)C[C@@H]1C	1575522312	JLFDMEFQYLAPGW-KBPBESRZSA-N	324.469	1.032	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])[C@@H]1NCC[C@@H]2CCCC[C@H]21	1580742673	BXYDNIIMYJEAPV-DMDPSCGWSA-N	319.365	1.601	50	20	DDGD	
C[C@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)CCl	1847437623	HUFQUWQHWNOFFJ-DCAQKATOSA-N	318.870	1.772	50	20	DDGD	
CC[C@@H](C)n1nccc1C(=O)NNc1ncccc1C(=O)O	1589463777	JYYLYLBDPHAEKS-SECBINFHSA-N	303.322	1.704	50	20	DDGD	
O=C(NNc1ncccc1Cl)c1ccc2c(c1)OCCNC2	1580743079	PEIWDQBXILFJQV-UHFFFAOYSA-N	318.764	1.974	50	20	DDGD	
N[C@H](C(=O)NNC(=O)C1CCC1)c1cccc(C(F)(F)F)c1	1580114929	GBFAWLPMEPLAAA-NSHDSACASA-N	315.295	1.653	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)CCC(C)=O)C2	1845164144	OCFISDLPZLDRIB-GFCCVEGCSA-N	314.813	1.576	50	20	DDGD	
COCCN(CC(C)C)NC(=O)Cc1ccccc1C(=O)O	1594000185	FGXUYGQFLNXRAY-UHFFFAOYSA-N	308.378	1.563	50	20	DDGD	
C[C@@H](CNC(=O)NNc1cccc(C(=O)O)c1)N(C)C1CC1	1592676136	NCOUXGCXFDEUJY-JTQLQIEISA-N	306.366	1.494	50	20	DDGD	
CC1(C)SC[C@@H]1NC(=O)NNc1cccc(-c2nn[nH]n2)c1	1590116851	GFHPNNHPDPMPER-JTQLQIEISA-N	319.394	1.387	50	20	DDGD	
COC(CN(CCC(=O)O)C[C@@H](C)CBr)OC	1599048127	OHWOFECFSNYWKF-VIFPVBQESA-N	312.204	1.413	50	20	DDGD	
COc1ncc(C(=O)NNc2ccc(C(=O)O)cn2)cc1Cl	1599733112	NKDCDKASWLDCGW-UHFFFAOYSA-N	322.708	1.594	50	20	DDGD	
CNc1ccc(C(=O)NNc2ccc(C(=O)O)c(F)c2)nc1	1598678507	PIEQUHFDNXVUCZ-UHFFFAOYSA-N	304.281	1.718	50	20	DDGD	
COCc1nocc1C(=O)NNc1cccc(C(=O)O)c1C	1599307115	MSPHSIMMRBOXSF-UHFFFAOYSA-N	305.290	1.585	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NN=C(C)c1cc(C(=O)O)ccc1C	1776102196	JMAXDBIYWZRJST-KBPBESRZSA-N	304.346	1.958	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2ccncc2[N+](=O)[O-])cc1	1776100436	HRVDIUCEOVORQQ-UHFFFAOYSA-N	314.257	1.452	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNC(=O)Cc1ccc(Cl)cc1	18991391	AHVPXHPWDPJVPD-PKNBQFBNSA-N	307.737	1.474	50	20	DDGD	
O=C(NCCCCCN1CCCCC1)NNc1ncccn1	161607009	FJCJKBYETVUPLR-UHFFFAOYSA-N	306.414	1.759	50	20	DDGD	
CC(=O)NC[C@@H]1CCCN(S(=O)(=O)CCCCCl)C1	153740697	DGLUAAFYRWMMSW-LBPRGKRZSA-N	310.847	1.183	50	20	DDGD	
Cc1cc(C)c(C(=O)NNc2nccc(N3CCOCC3)n2)o1	155523188	PFGHYHFMQFOYRC-UHFFFAOYSA-N	317.349	1.280	50	20	DDGD	
N#CCSCC(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	154103788	VRVRVIIMYYDUAQ-UHFFFAOYSA-N	321.387	1.156	50	20	DDGD	
O=C(CN1C(=O)c2ccccc2C1=O)NCC(Cl)Cl	294743815	QYXNNSZLJULIJD-UHFFFAOYSA-N	301.129	1.203	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2C)cc1	3095988	CONRFPUSMAKEHD-UHFFFAOYSA-N	311.341	1.703	50	20	DDGD	
N#Cc1ccsc1C(=O)NNC(=O)NCCc1cccs1	52050468	GWBFPHNSEOPXFN-UHFFFAOYSA-N	320.399	1.868	50	20	DDGD	
N#Cc1cccc(NNC(=O)C(=O)Nc2ccc(F)c(F)c2)c1	119513659	ZKNOUZZBUMRVDY-UHFFFAOYSA-N	316.267	1.918	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2ncoc2C)c1	102322113	IQEYSAFLKJEFQK-UHFFFAOYSA-N	303.318	1.440	50	20	DDGD	
C=CC1CCN(CC(=O)NNC(=O)c2ccccc2Cl)CC1	111259641	ZADNMFOJJCHJOC-UHFFFAOYSA-N	321.808	1.999	50	20	DDGD	
NC(=O)[C@H](NNC(=O)c1cccc(Cl)c1)c1ccccc1	26223428	MJQIQAPEILHGBN-CYBMUJFWSA-N	303.749	1.801	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1	67128188	XVNWXMOJBHDOKO-UHFFFAOYSA-N	321.377	1.535	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CC=CCC2)cc1	172485734	VRVONDSXRTYKNN-ZDUSSCGKSA-N	303.362	1.813	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C1(c2ccccc2)CCCC1	110761599	CQCMCSDYHMUQDY-UHFFFAOYSA-N	312.373	1.991	50	20	DDGD	
COc1ccc(OC)c(/C=C/C(=O)NNC(=O)NC(C)C)c1	63271047	IKDKGZAVYHAIAP-VMPITWQZSA-N	307.350	1.456	50	20	DDGD	
C=CCc1cc(C(=O)NNc2cnccn2)cc(OC)c1OC	114881414	YIARPMJNZDRMAW-UHFFFAOYSA-N	314.345	1.979	50	20	DDGD	
CC(C)N1CC[C@H](NC(=O)NNc2ccccc2Cl)C1=O	172234117	HHXAWDZNCXKPJB-LBPRGKRZSA-N	310.785	1.975	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2cc[nH]c2C)c1	174943104	SFKAMVBBORSVKE-UHFFFAOYSA-N	301.346	1.780	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1nc(-c2ccccc2)ns1	65772168	SCCSGIYCHRCWQP-UHFFFAOYSA-N	307.335	1.988	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)C2CCCCC2)C[C@H](C)O1	68194795	OCRYJZIYIZWIKR-STQMWFEESA-N	311.426	1.213	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1ccc(F)cc1O	123740110	HSRFFHNAFJZSTI-UHFFFAOYSA-N	306.268	1.674	50	20	DDGD	
C#CCN1CCC(C(=O)NNc2nnc(C3CC3)s2)CC1	184476981	IKQULWYDSFGIJS-UHFFFAOYSA-N	305.407	1.204	50	20	DDGD	
O=C(NCCc1cccc(Cl)c1)NNC(=O)c1ccc[nH]1	127144543	FVSYRGYXRYJYCD-UHFFFAOYSA-N	306.753	1.855	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cccc(F)c2)nc1	124305165	LUBAMXSOTBPQRQ-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
CN1CCN(S(=O)(=O)c2ccc(CCCl)cc2)CC1	20190732	NKHYWWZIMDPFNJ-UHFFFAOYSA-N	302.827	1.404	50	20	DDGD	
CO[C@@H](C)CCC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	182969900	BKAJQHOVTMKMTG-WDEREUQCSA-N	312.341	1.556	50	20	DDGD	
C[C@H]1CN(CC(=O)NNC(=O)C2CC2)CC[C@@H]1c1ccccc1	129741338	NNMLOKNCXBEUIS-BBRMVZONSA-N	315.417	1.669	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccnc(C)n2)c(C)c1	76950340	NIFYJEPVAXNKRT-UHFFFAOYSA-N	313.361	1.275	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCc2cccs2)c(O)c1	79876416	ZOYLNFXFWIIHOK-UHFFFAOYSA-N	319.386	1.949	50	20	DDGD	
CC(C)[C@@]1(C)C[C@H]1C(=O)NNC(=O)Cc1cn2ccccc2n1	186658058	GTLHDKQAEGUXRN-SUMWQHHRSA-N	314.389	1.706	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(Cl)c(Cl)n1C	131805328	QLQJJFXHGROUBX-UHFFFAOYSA-N	316.148	1.887	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2ncc(Cl)cc2Cl)CCN1	132992121	OFNBZQZTVTVTLF-LURJTMIESA-N	303.149	1.358	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)COc1cccc(Cl)c1C	134873052	POZFZZOCORIUCH-UHFFFAOYSA-N	322.752	1.520	50	20	DDGD	
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNc1cnccn1	133353838	JOBXKLUFVLVBSV-VIFPVBQESA-N	319.752	1.392	50	20	DDGD	
CCCCc1ccc(N2C[C@@H](C(=O)NNC(C)=O)CC2=O)cc1	45130942	ZBJNPWPJUMSUOQ-AWEZNQCLSA-N	317.389	1.549	50	20	DDGD	
C=C[C@@](C)(CC)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	134857103	NNHLXIOWJHPBIY-BBRMVZONSA-N	304.346	1.576	50	20	DDGD	
COc1cccc(OCC(=O)NNC(=O)c2ccc(C)o2)c1	84292353	HXTMCQHSXJUIBR-UHFFFAOYSA-N	304.302	1.437	50	20	DDGD	
Cn1nccc1/C=C(\C#N)c1nc(N)nc(Nc2ccccc2)n1	45111451	QDHLJCKTZQPXPJ-PKNBQFBNSA-N	318.344	1.995	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cc2c([nH]c1=O)CCCC2	191904400	WSAFQDMKLCBHRT-UHFFFAOYSA-N	324.344	1.053	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCc2nccs2)c1	80043555	ANEKYWIOCSWJKX-UHFFFAOYSA-N	319.390	1.353	50	20	DDGD	
CC(C)n1cc(C(=O)NNC(=O)CCc2ccccc2O)cn1	190514814	YZBDUQCMXGOSNI-UHFFFAOYSA-N	316.361	1.563	50	20	DDGD	
O=C(NCCCn1cnc2ccccc21)NNc1ncccn1	43857889	CBVIBEFRMUQONW-UHFFFAOYSA-N	311.349	1.543	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ccnc(F)c2)cc1F	190309154	HAVWIJLRJZEZFP-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccc(F)cc2C1)c1cccnc1	90067998	QHRSSBGSHNKVQC-GFCCVEGCSA-N	315.304	1.233	50	20	DDGD	
Cc1ccc(C(N)=O)cc1NC(=O)NNC(=O)c1ccccc1	92017879	MSDXAHKPHYIJNV-UHFFFAOYSA-N	312.329	1.560	50	20	DDGD	
Cc1ccn(C)c(=O)c1NC(=O)NNC(=O)c1ccccc1	92018947	SIBSFLMOBWGAFN-UHFFFAOYSA-N	300.318	1.160	50	20	DDGD	
C[C@H](OC[C@H]1CCCO1)C(=O)NNc1ncnc2ccsc12	268973021	LYHSLOLUVALFED-VHSXEESVSA-N	322.390	1.719	50	20	DDGD	
CCOC(=O)NCCC(=O)NNC(=O)C(C)(C)c1ccccc1	264577831	UJJJXVISYOCJGP-UHFFFAOYSA-N	321.377	1.248	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccn(C(C)C)n1	265050251	PUCXYWUDBDCBSO-UHFFFAOYSA-N	316.361	1.476	50	20	DDGD	
CC(=O)NCCCCCC(=O)NNc1ccc([N+](=O)[O-])cc1	269633365	VBENYSWQJFAHHY-UHFFFAOYSA-N	308.338	1.734	50	20	DDGD	
CCCn1nc(C)c(C(=O)NNC(=O)Cc2ccncc2)c1C	268373897	SIWGPUNNPZIJRV-UHFFFAOYSA-N	315.377	1.309	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNC(=O)N(C)C)cc1OC	268150344	LSNPOVWNLMNLBK-UHFFFAOYSA-N	309.366	1.284	50	20	DDGD	
CC[C@@H]1CN(C(=O)NNC(=O)c2ccccc2OC)C[C@@H](C)O1	264870026	RAXCJLVCCTWACK-VXGBXAGGSA-N	321.377	1.549	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1CCC[C@H](N(C)C)C1	267372804	KGYCIPSTAHYSBM-KBPBESRZSA-N	318.421	1.812	50	20	DDGD	
COC(=O)c1nscc1NS(=O)(=O)CCCCCl	276248359	QJUOXQOSNDMTPH-UHFFFAOYSA-N	312.800	1.690	50	20	DDGD	
CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N1CC=C(C#N)CC1	271138863	RRWNZLJHUUZWDX-MBNGJLNHSA-N	319.430	1.926	50	20	DDGD	
COC[C@@H](CNC(=O)NNC(=O)CCCc1ccccc1)OC	272995261	QQHNWKYFOSECLN-CQSZACIVSA-N	323.393	1.001	50	20	DDGD	
CCSCc1ccccc1C(=O)NNC(=O)c1cnn(C)c1	278957359	FMYWOJYOUYHWPZ-UHFFFAOYSA-N	318.402	1.748	50	20	DDGD	
O=C(NCC1CC1)C(=O)NNc1cc(Cl)ccc1Cl	276424438	DNEYOLXAYCARPR-UHFFFAOYSA-N	302.161	1.963	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NNc2ccc(C#N)c(Cl)c2)C1	278322683	DKEZITBBMWKXBH-SNVBAGLBSA-N	320.780	1.913	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)CC[C@@H](C)OC)c1	272797033	FKZHPQRSAMKGOX-LLVKDONJSA-N	309.366	1.070	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1ccc(F)c(F)c1	274176342	HUNCEPMESZFAHC-UHFFFAOYSA-N	315.276	1.459	50	20	DDGD	
N#Cc1cccc(C2(NS(=O)(=O)CBr)CC2)c1	272866609	YUJJDKQNGJGGGF-UHFFFAOYSA-N	315.192	1.819	50	20	DDGD	
O=C(NNc1cccnn1)C1(c2cccc(F)c2)CCOCC1	273224157	UGZKIYKPOUYIFH-UHFFFAOYSA-N	316.336	1.807	50	20	DDGD	
CSSCCNC(=O)CNC(=O)COc1ccccc1	284276502	YNNVGLITHSLDQE-UHFFFAOYSA-N	314.432	1.309	50	20	DDGD	
Cc1ccc2c(c1)C(=O)N(CC(=O)NCC(Cl)Cl)C2=O	289227204	ZWWJTVYMLFJADK-UHFFFAOYSA-N	315.156	1.511	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1c(C)nn(CC)c1Cl	281376880	WZTZXODGAJZMQV-UHFFFAOYSA-N	301.803	1.160	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@@H]1CCCN1C1CC1	287254177	RCNYILLJHDDYSG-ZDUSSCGKSA-N	301.394	1.814	50	20	DDGD	
COCCn1cc(CNC(=O)NNc2c(C)cccc2F)cn1	282524568	RAOORZXVZGGPOR-UHFFFAOYSA-N	321.356	1.803	50	20	DDGD	
COCC1(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)CCC1	284347047	NSBKOUWNQFHOLQ-NSHDSACASA-N	324.352	1.557	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccn(-c2ccccc2F)n1	294027017	CRTFGJBDYRKCLO-UHFFFAOYSA-N	302.309	1.573	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc2nccnc2cc1F	295678217	XTBITAZOQLUWEY-ZDUSSCGKSA-N	318.308	1.099	50	20	DDGD	
CC[C@@H]1CC[C@@H](C)N1CC(=O)NNC(=O)c1ccc(F)cc1	299623363	JOBGIWCPXIFWBX-BXUZGUMPSA-N	307.369	1.850	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802099388	PUOLVUWGXWOWIO-TVQRCGJNSA-N	323.349	1.629	50	20	DDGD	
CN(C)Cc1cccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)c1	296209278	INIYVDQVCYYMEV-AWEZNQCLSA-N	320.393	1.470	50	20	DDGD	
Cn1[nH]cc2c(=NC(=O)NNc3cccc(F)n3)ccnc1-2	806487766	KCLWQZGEPQNNIP-UHFFFAOYSA-N	301.285	1.025	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)[C@@H]1OC[C@H]2COCC[C@H]21	290426501	MTEPHIVLGPWGBJ-UEKVPHQBSA-N	314.345	1.124	50	20	DDGD	
C[C@H]1CCC[C@@H]1NCC(=O)NNC(=O)c1cccc(Cl)c1	800392018	XLTOGDWAPCQIGD-GWCFXTLKSA-N	309.797	1.879	50	20	DDGD	
CC(C)(C)SCCCC(=O)NNC(=O)N=c1cc[nH]cc1	802029639	OVOVUGYJGOLHEI-UHFFFAOYSA-N	310.423	1.968	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@H]1CC1(F)F	294548916	VQARHMMLVAJQPV-MRVPVSSYSA-N	304.680	1.765	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)[C@@H]2CSCCS2)c1	293878941	IIEBQHUMACELPL-LBPRGKRZSA-N	311.432	1.937	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1c[nH]nc1[N+](=O)[O-]	802598859	FPIMNVDRCXPCEH-UHFFFAOYSA-N	316.199	1.489	50	20	DDGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CC[C@H](CC(N)=O)C1	808774906	FSJVVYYFLXJQOC-KLBJXPRRSA-N	300.318	1.657	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2ccc(C)nn2)ccc1F	807004068	FYKFJJQDDLZREQ-UHFFFAOYSA-N	317.324	1.568	50	20	DDGD	
NC(=O)NNc1nc(-c2cnn(-c3ccccc3)c2)cs1	800720012	BVTUCUMSDJZKSH-UHFFFAOYSA-N	300.347	1.991	50	20	DDGD	
COC[C@@H](C)n1ccc(NC(=O)NNc2ncccc2F)n1	806442790	JMHQBNMBALSDII-SECBINFHSA-N	308.317	1.773	50	20	DDGD	
Cc1nc(C(C)C)ccc1C(=O)NNC(=O)N1CCOCC1	292925213	IOTQBXOWMLKUQD-UHFFFAOYSA-N	306.366	1.200	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc(F)c(Cl)c1	295303655	FHYYCYIBSCFVQM-LLVKDONJSA-N	300.717	1.809	50	20	DDGD	
C[Si](C)(CNC(=O)NNC(=O)C1CCC1)c1ccccc1	291498800	IVAIUJGBAXTXFL-UHFFFAOYSA-N	305.454	1.272	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CSC(F)F	299268969	ZYPZANFHUKRIEA-UHFFFAOYSA-N	304.318	1.341	50	20	DDGD	
COC(=O)c1cc(C(=O)NNC(=O)Cc2ccccc2C)c[nH]1	815820492	OPXBAEQVXWWAAQ-UHFFFAOYSA-N	315.329	1.113	50	20	DDGD	
Cc1ccc(CNC(=O)NNc2cccc(Cl)n2)c(=O)n1C	814325053	GKKUSYOWFOUTFY-UHFFFAOYSA-N	321.768	1.568	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)Nc2cc(F)cc(F)c2)cn1	815006348	QEGSANQKMSZMKV-UHFFFAOYSA-N	320.303	1.976	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)c2ccoc2)cc1	812730523	LTYOCKOUUUSASW-UHFFFAOYSA-N	309.347	1.287	50	20	DDGD	
CC(=NNC(=O)C1CCC1)c1ccc(N2C(=O)CCC2=O)cc1	814221841	OSFVSPDLWJVZFE-UHFFFAOYSA-N	313.357	1.980	50	20	DDGD	
CN(C)c1cc(C(=O)NN=c2cc[nH]cc2)nc2ccccc12	810970719	MVJMZZDWZLVNHI-UHFFFAOYSA-N	307.357	1.875	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCc2cncs2)cc1	814365391	ILHWZRCGFZFANJ-UHFFFAOYSA-N	319.386	1.611	50	20	DDGD	
CC(C)(C(=O)NN=Cc1ccc(-c2nn[nH]n2)o1)c1ccccc1	819891547	AOJKYTAIELEFPK-UHFFFAOYSA-N	324.344	1.888	50	20	DDGD	
Cc1ccc(NNC(=O)CCc2c(C)nc(O)nc2O)cc1	817979710	DJMVEQDNRZCBMS-UHFFFAOYSA-N	302.334	1.581	50	20	DDGD	
N#CSCCCNC(=O)CNC(=O)Cc1cccc(F)c1	816539121	SGXOZSXIJYOYGC-UHFFFAOYSA-N	309.366	1.205	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)[C@@H](C)CN1CCCCC1	811634807	BZXAMSACMDXVJU-GXTWGEPZSA-N	308.426	1.269	50	20	DDGD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NNc1nc2ccccc2n1C	816580179	WINAIIFOTOWHPH-RYUDHWBXSA-N	318.377	1.601	50	20	DDGD	
COC(=O)CCCN1CCC(=NNC(=O)c2cccnc2)CC1	727057890	KYYDIAFPVRMXEG-UHFFFAOYSA-N	318.377	1.216	50	20	DDGD	
CCn1c(NNC(=O)CC2(O)CCC2)nc2ccccc2c1=O	822367841	MPGBAXVSJODIQP-UHFFFAOYSA-N	316.361	1.165	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	823922997	OFCWHTONXIMOTB-LURJTMIESA-N	322.148	1.859	50	20	DDGD	
CC(C)[C@H]1C[C@H](C(=O)NNC(=O)OCC(F)(F)F)CCO1	825520397	YJZQFKAJVQEEOM-RKDXNWHRSA-N	312.288	1.757	50	20	DDGD	
CC[C@]1(C(=O)NNc2nc3c(C)cccc3s2)CCNC1=O	828367906	ZDEGYNQWGHXKPN-HNNXBMFYSA-N	318.402	1.964	50	20	DDGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cnn(C)n2)cc1OC	821030903	DKIYEAHPUCUUCA-POHAHGRESA-N	313.317	1.378	50	20	DDGD	
CC(C)(C)OC(=O)NCCC=NNC(=O)NCc1ccco1	493934001	HMGMBOQSOWOFNE-UHFFFAOYSA-N	310.354	1.979	50	20	DDGD	
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NN(C)[C@@H](C)CO	823966067	YQNGPGLYGMUBBE-SWLSCSKDSA-N	305.378	1.305	50	20	DDGD	
Nc1ccc(C(=O)NNC(=O)C2CCC2)cc1OC(F)(F)F	827211111	XWMHRBFEHQSVPE-UHFFFAOYSA-N	317.267	1.729	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@H]2CCC=CO2)cc(C#N)n1C	490912068	WPEXLSURBMNIBO-SNQWNFELSA-N	310.357	1.921	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCNC(=O)OC)c1ccccc1	491318910	GMCZXBSWXXMYEA-LBPRGKRZSA-N	307.350	1.074	50	20	DDGD	
CNC(=O)/C(C#N)=C/c1ccc(C(=O)OC)cc1Br	490944348	WAESNUOMPLTVOP-BJMVGYQFSA-N	323.146	1.889	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1ncccc1C(F)(F)F	491527353	HZFSDPCDAYFNKU-UHFFFAOYSA-N	320.271	1.680	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCc1ccc(C(N)=O)nc1	491051278	RZIYMBCKXXKPLP-NTUHNPAUSA-N	322.324	1.109	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O)C1CC1	822567039	FAMWIWQFLFEECB-NSHDSACASA-N	322.321	1.433	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCC(C)(C)N2CCCCC2)cn1	491173178	BJCFKJVOALVJPJ-DHDCSXOGSA-N	315.421	1.708	50	20	DDGD	
C#CCO[C@H](C)C(=O)NNC(=S)Nc1ccc(OCC)cc1	824130595	IEGLUJFYDUMPOT-LLVKDONJSA-N	321.402	1.441	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(OC)cc(-n2cccn2)c1	492119183	OPBQMFYUSXOYOH-UHFFFAOYSA-N	305.294	1.273	50	20	DDGD	
COC(=O)CCC(C)(C)NC(=O)/C(C#N)=C/c1cnn(C)c1	491012283	QTZIFUCEQQAQMH-KPKJPENVSA-N	304.350	1.175	50	20	DDGD	
O=C(Cc1ccc(-c2ccccc2)cc1)N1CC[C@H](B(O)O)C1	585071088	MJHKDVJNFWMXJU-KRWDZBQOSA-N	309.174	1.971	50	20	DDGD	
O=C(C[C@H](n1cccn1)C(F)(F)F)NNc1ncccn1	820934628	GCRGEDMNKSZCIR-QMMMGPOBSA-N	300.244	1.310	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	588594673	KRLZVDLNJKBDEQ-BJMVGYQFSA-N	311.275	1.802	50	20	DDGD	
COC(=O)Nc1ccccc1C(=O)NNC(=O)c1ccncc1	733123679	ZEKJXJGZBUZWRL-UHFFFAOYSA-N	314.301	1.335	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCC1Cc2ccccc2C1	826030959	YLHBHYKVXKADEW-ABAIWWIYSA-N	317.389	1.157	50	20	DDGD	
O=C(NN=Cc1ccc2c(c1)CCCO2)C(=O)N1CCCC1	901182635	QHJMEFGINMZQDO-UHFFFAOYSA-N	301.346	1.084	50	20	DDGD	
C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccc(B(O)O)cc1	584954808	LMJOZGCQMOMVHE-PBHICJAKSA-N	323.201	1.460	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cnn(C)c1)c1cccs1	735416849	JKGRLYFGSROIHG-MRVPVSSYSA-N	309.420	1.352	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)c(F)c1	909546086	SWQUYWQTFSGUMD-BZHVJNSISA-N	306.293	1.281	50	20	DDGD	
COC(=O)N(C)NC(=O)C1CCN(C(=O)OCC(C)C)CC1	495823066	AXHHXLNSOFINGJ-UHFFFAOYSA-N	315.370	1.220	50	20	DDGD	
OB(O)c1cccc(CNCCCCOC2CCCCCC2)c1	585019395	AFQXPHYMQZNYBL-UHFFFAOYSA-N	319.254	1.976	50	20	DDGD	
COC(=O)NN=Cc1c(C)c(C=NNC(=O)O)n2ccccc12	831206493	IHAMXALPENTOSU-UHFFFAOYSA-N	317.305	1.539	50	20	DDGD	
CCC(COC)=NNC(=O)c1cc(OC)c(OC)c(OC)c1	735971214	SJIGBDULLXGCLL-UHFFFAOYSA-N	310.350	1.855	50	20	DDGD	
C=C[C@@H]1OCCC[C@H]1NC(=O)NNC(=O)Cc1ccccc1F	836615804	UUTFRXBIINCLPU-KGLIPLIRSA-N	321.352	1.432	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)NCC(F)(F)F)C[C@@H]1Br	907967343	MBDORLMNDJYYOF-FFWSUHOLSA-N	318.093	1.053	50	20	DDGD	
CC(C)CC1(CNC(=O)NNC(=O)N=c2cc[nH]cc2)CC1	836356681	GNIOVSQISVVMFY-UHFFFAOYSA-N	305.382	1.666	50	20	DDGD	
CCC[C@H]1C[C@H](c2nc(-c3ccc(B(O)O)cc3)no2)CCO1	585050578	DDWGKAGXAMHDIB-OCCSQVGLSA-N	316.166	1.479	50	20	DDGD	
C[C@@]1(NCc2ccc(B(O)O)cc2F)CCCc2ccccc21	585033565	HLOYQKVWPKGZGE-GOSISDBHSA-N	313.181	1.847	50	20	DDGD	
CC[C@H](OC)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	733108398	HCRSAPUWRAXJGC-ZDUSSCGKSA-N	302.334	1.058	50	20	DDGD	
C=C(Cl)CNC(=O)NNC(=O)c1ccc(OC)c(OC)c1	736397646	DDMXSHLAJDDYCL-UHFFFAOYSA-N	313.741	1.400	50	20	DDGD	
OB(O)[C@@H]1CCN(Cc2ccc(OC(F)F)c(Cl)c2)C1	585077452	VICZUEMHVADHJO-SECBINFHSA-N	305.517	1.990	50	20	DDGD	
Cc1cc(NNC(=O)c2cccn2Cc2ccncc2)ncn1	734255539	DWFPSPQNOCQVNJ-UHFFFAOYSA-N	308.345	1.787	50	20	DDGD	
CC[C@@H](NCc1ccc(B(O)O)cc1F)c1c(C)nn(C)c1C	585025871	FRLYEHGDAROEIY-OAHLLOKOSA-N	319.189	1.097	50	20	DDGD	
C=C(CC)CNC(=O)NNC(=O)[C@H]1COc2ccccc2O1	836654453	PQJBUJAMSBBVEM-CYBMUJFWSA-N	305.334	1.123	50	20	DDGD	
CCOCC(=O)NNC(=S)NCCCN(C)c1ccccc1	731161259	RUDDGRDZDWBWHK-UHFFFAOYSA-N	324.450	1.045	50	20	DDGD	
COc1cccc2c1OCC(C(=O)NNC(=O)C1CCC1)=C2	732142009	QPHRVZFFXHNWBV-UHFFFAOYSA-N	302.330	1.419	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)C(=O)NNc1ncnc2ccsc12	837478426	FIIKSYXNRDIKTG-VIFPVBQESA-N	316.390	1.747	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@@H]1[C@@H](c2ccccc2)C1(C)C	838751368	ONMBIEQXJVFMPQ-UKRRQHHQSA-N	319.405	1.793	50	20	DDGD	
C[C@H]1CN(C[C@@H]2CCCN2S(=O)(=O)CCl)C[C@@H](C)O1	830191253	ZJAFZGDBNDWXTR-TUAOUCFPSA-N	310.847	1.086	50	20	DDGD	
CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccc(C)o1	735446574	AEPPIOFTPNGHTM-UHFFFAOYSA-N	310.317	1.922	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)Nc2ccccc2C)COC1	836630554	PCEUQQDXJJJQHF-UHFFFAOYSA-N	306.366	1.757	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)NC(=O)NNc1ccc(Cl)nc1	838692145	CPROYJUXAKAGEF-SECBINFHSA-N	308.773	1.726	50	20	DDGD	
COCC1(CNC(=O)NNC(=O)c2ccccc2)CCCC1	836205934	WLDJJSOKEZRFTM-UHFFFAOYSA-N	305.378	1.837	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)nn1C(C)C	831871004	OPNCIWUOUAJDJB-QWRGUYRKSA-N	309.370	1.350	50	20	DDGD	
Cc1ccncc1[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCCCO1	838534903	TZKSAOCYKYSCLI-YPMHNXCESA-N	306.366	1.351	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C[C@@H]1CCOC1	739482622	ACJWMSPCHOMUKK-MNOVXSKESA-N	310.325	1.167	50	20	DDGD	
O=C(NNC(=O)C1CN(C2CCCCC2)C1)c1ccccc1F	837311106	LTDYATAEXZUKHY-UHFFFAOYSA-N	319.380	1.851	50	20	DDGD	
O=C(NCc1ccc(C2CCC2)cc1)c1ccc(B(O)O)cc1	584982159	IYPCQANQTRFCPY-UHFFFAOYSA-N	309.174	1.564	50	20	DDGD	
CCc1cnccc1[C@H](C)NC(=O)NNC(=O)[C@@H]1CCCCO1	836385109	COTBZWFOILQQNU-FZMZJTMJSA-N	320.393	1.605	50	20	DDGD	
C[C@H]1CC(=NNC(=O)C2CCN(c3ncccn3)CC2)[C@H](C)O1	834955959	KJCSIJALLKQRQS-RYUDHWBXSA-N	317.393	1.363	50	20	DDGD	
Cc1nc([C@H]2CCN(CCI)C2)n[nH]1	839660544	WIZGVNPDYANIFZ-QMMMGPOBSA-N	306.151	1.337	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1c(F)cccc1OC	746239664	FPCRUKGBTDOFLR-UHFFFAOYSA-N	318.304	1.918	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	910161044	QVRBHJCULJWKCT-SFGNSQDASA-N	302.296	1.551	50	20	DDGD	
C[C@@H](C[C@@H](C)N)NC(=O)NNC(=O)c1cccc2ccccc12	831211555	HCQMXEQRXMTCPX-NEPJUHHUSA-N	314.389	1.910	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)NCc2ccon2)cc1	747594979	YGSHQIOHQNDCBS-UHFFFAOYSA-N	320.374	1.606	50	20	DDGD	
CC(=NNC(=O)Cn1c(C)nc2ccccc21)[C@H]1CCOC1	741759863	ZFSLPVFVMJMIOB-ZDUSSCGKSA-N	300.362	1.873	50	20	DDGD	
O=C(NCc1cccc2c1OCO2)NNC(=O)C1CCCC1	919656347	UOZFMQOCSQIIRD-UHFFFAOYSA-N	305.334	1.436	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(Cl)c(F)c1)C1CCCC1	844645578	BCXCGSCCGSQLPK-UHFFFAOYSA-N	320.773	1.979	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C2CCC(O)CC2)cc1	846376353	XPMZODOTZBXAKP-UHFFFAOYSA-N	306.362	1.396	50	20	DDGD	
CC[C@@H](N)CNC(=O)NNC(=O)c1cc2c(s1)CCCCC2	842003916	DBBRUGMVEUQTCJ-LLVKDONJSA-N	324.450	1.698	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@H](CC(C)C)OC)cc1	841080202	NVIVONJYWBNGGI-HNNXBMFYSA-N	322.405	1.836	50	20	DDGD	
C=C(C)CONC(=O)NNC(=O)COc1cc(C)cc(C)c1	845591554	YLCLUVRAVYLHOH-UHFFFAOYSA-N	307.350	1.520	50	20	DDGD	
COc1ccccc1O[C@@H](C)CNC(=O)NNC(=O)C(C)C	743692346	XJCALUKOKMPQSZ-NSHDSACASA-N	309.366	1.449	50	20	DDGD	
O=C(NNC(=O)c1cccc2c1OCO2)c1ccc(Cl)nc1	917374460	CGUIWPOVVTVUCJ-UHFFFAOYSA-N	319.704	1.539	50	20	DDGD	
COC(=O)C12CC(C(=O)NNC(=O)c3cccc(Cl)c3)(C1)C2	843516610	CAZAKDJIIYUCJP-UHFFFAOYSA-N	322.748	1.444	50	20	DDGD	
CC(C)N(CCC(=O)NN(C)C[C@@H](C)O)C(=O)OC(C)(C)C	910166082	RZYLXIWIBHONDD-GFCCVEGCSA-N	317.430	1.366	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)[C@H]2CC23CCCC3)cc1	747345187	KGDQQBHVRRCLPE-CQSZACIVSA-N	313.357	1.665	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNC(=O)c1cccc(N(C)C)c1	841008905	ZKSNWFSIRFGEKN-AWEZNQCLSA-N	307.394	1.575	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc2c(c1)NC(=O)CCS2	917180052	AGUJVAHRUUWFFD-UHFFFAOYSA-N	321.402	1.928	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(OC(F)F)cc1	843648699	RBVZFXUIBKGEER-GZMMTYOYSA-N	314.288	1.474	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CCSC2)cc1C	745899867	XOMFOEMMOPPUBO-LBPRGKRZSA-N	323.418	1.518	50	20	DDGD	
CC(C)(C)c1ncsc1C(=O)NNC(=O)c1ncccn1	841350763	SIGHVSWCKGBQHD-UHFFFAOYSA-N	305.363	1.305	50	20	DDGD	
N#Cc1cccc(C(=O)NN=C(CO)c2ccc(F)cc2F)c1	749609521	YSWWXTUEALIJQD-UHFFFAOYSA-N	315.279	1.963	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=Cc1cnc2cnccn12	746366251	LAOCWDKSISLRHI-UHFFFAOYSA-N	319.328	1.449	50	20	DDGD	
CCn1ncnc1C=NNC(=O)c1ccc(OC)cc1OC	848405605	QSFXOMYUZOCZFG-UHFFFAOYSA-N	303.322	1.079	50	20	DDGD	
CO[C@H](CC(=O)NNc1nc2ccccn2n1)C(F)(F)F	846003159	XTKOCOWSJRZRGC-SSDOTTSWSA-N	303.244	1.140	50	20	DDGD	
COC[C@@H]1CCCN1C(=O)NNC(=O)COCc1ccccc1	752015740	PSQXXMKNKZKLQX-AWEZNQCLSA-N	321.377	1.055	50	20	DDGD	
CN(Cc1cccc(O)n1)S(=O)(=O)CC(C)(C)CCl	922110411	LYXWYFHXKRISAY-UHFFFAOYSA-N	306.815	1.814	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1cc(C)cc(C)c1	853952932	GSSVJDMEIGQSID-GFCCVEGCSA-N	306.362	1.335	50	20	DDGD	
CCOC(=O)C1(CNS(=O)(=O)CCCCl)CCCC1	921694070	KPUJDZYMSMEEMU-UHFFFAOYSA-N	311.831	1.658	50	20	DDGD	
CC[C@H]1CC(=NNC(=O)C(=O)Nc2ccc(C)cc2)CCO1	756823018	GTZRCZMKTWWCEZ-AWEZNQCLSA-N	303.362	1.995	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2NC(=O)O[C@H]2C)c1C	854186768	VXZLRDHLPPUWSE-ONGXEEELSA-N	322.390	1.118	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc2nc(C)sc2c1	755409832	ARPSNDFNUNHQRM-UHFFFAOYSA-N	308.363	1.794	50	20	DDGD	
CC(C)CS(=O)(=O)CCC(=O)NNc1ccc(Cl)cn1	856095517	ONNYZMUWJBLMFH-UHFFFAOYSA-N	319.814	1.639	50	20	DDGD	
CCc1cccnc1C(=O)NN(C)C(=S)NCCCOC	854283428	VUYPGWYJYXMHCW-UHFFFAOYSA-N	310.423	1.132	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C2(C(=O)O)CCCCCC2)n1	852947020	DKXXXEPXHYZASC-UHFFFAOYSA-N	322.365	1.662	50	20	DDGD	
O=C(NCCC[C@@H]1CCCCO1)NNC(=O)c1cccc(F)n1	852254130	NDSFYZPTKAPFKD-NSHDSACASA-N	324.356	1.514	50	20	DDGD	
CN1CCCN(C(=O)NC[C@@]2(C)C[C@@H]2Br)CC1	856951269	SHVSSCVRTMHDPP-CMPLNLGQSA-N	304.232	1.507	50	20	DDGD	
C#CCNC(=S)NNC(=O)CSc1ccc(Cl)cc1	758171414	HSGVSXMLBSOQQW-UHFFFAOYSA-N	313.835	1.561	50	20	DDGD	
C[C@H]1CC[C@@H](CC(=O)OCC(=O)NNC(=O)c2cccs2)C1	759415424	AZKIJAZLKIANDN-WDEREUQCSA-N	324.402	1.879	50	20	DDGD	
CC1(NC(=O)NC[C@]2(C)C[C@H]2Br)CCNCC1	857105372	KHOHOXWBNAZXOV-KOLCDFICSA-N	304.232	1.601	50	20	DDGD	
COCCn1cc(C(=O)NNc2cccnc2Cl)ccc1=O	754479725	DJQCWNXIYQOMLO-UHFFFAOYSA-N	322.752	1.300	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1sc(COC)nc1C	758705665	CNDBIRADLWPHNC-UHFFFAOYSA-N	300.384	1.342	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@H]2CCCCN(C)C2)n1	858769392	YMCYCZIZVQXPKQ-CYBMUJFWSA-N	306.414	1.451	50	20	DDGD	
CN(CC(C)(C)CN)C(=O)NC[C@]1(C)C[C@@H]1Br	857105365	KGZWCVOQENOBMJ-CABZTGNLSA-N	306.248	1.786	50	20	DDGD	
C[C@]1(CNC(=O)N2CC(=O)N(C3CC3)C2)C[C@@H]1Br	856898247	ZIZATSLWJBSSBF-JOYOIKCWSA-N	316.199	1.134	50	20	DDGD	
C[C@@]1(CNC(=O)CCCS(C)(=O)=O)C[C@@H]1Br	857399252	VPSHXMQSURNHSX-WPRPVWTQSA-N	312.229	1.101	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCc1nc2ccccc2o1	920766614	LREGTEFGLKVABH-UHFFFAOYSA-N	304.350	1.891	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)NCCCOC)C[C@@H]1C	758118100	WLOISJDPJRRMIQ-WCQYABFASA-N	313.398	1.677	50	20	DDGD	
Cc1ccnc(NC(=O)NNC(=O)c2ccc3c(c2)OCO3)c1	758000160	GVESTMBVMKQOKO-UHFFFAOYSA-N	314.301	1.585	50	20	DDGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)[C@H](O)C1CC1	854195112	AWDJHCBNQMWHER-GFCCVEGCSA-N	314.794	1.350	50	20	DDGD	
COc1cccc(C(C)=NNC(=O)CNC(=O)c2ccco2)c1	750938825	QSHDZTIDQJBWCY-UHFFFAOYSA-N	315.329	1.558	50	20	DDGD	
C=C[C@@](C)(O)C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	854218926	XRLGAUMESGXNDH-BLLLJJGKSA-N	306.362	1.155	50	20	DDGD	
CN(CCCCCO)C(=O)NC[C@@]1(C)C[C@H]1Br	856953829	CXCNOLLKJNHBFC-ZYHUDNBSSA-N	307.232	1.964	50	20	DDGD	
CSC(C)(C)C(=O)NNC(=O)COc1ccc(F)cc1	854216496	ASMPBVJMUBKKCB-UHFFFAOYSA-N	300.355	1.494	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1O)c1cnn(C)c1	750239456	WIPNKFYOSAUVBL-QMMMGPOBSA-N	322.752	1.344	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1c(C)nn(CC)c1C	755739267	KKCOSGUGYTYFHZ-UHFFFAOYSA-N	307.398	1.275	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cccc(NC(=O)NC2CC2)c1	854925477	HBCMFBQWEKNEKQ-UHFFFAOYSA-N	321.406	1.051	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cnn(C)c2C)c1C	855627754	AKISKWCTGKNUMI-UHFFFAOYSA-N	302.334	1.580	50	20	DDGD	
COc1ccccc1C(C)(C)C(=O)NNC(=O)c1cc[nH]n1	855359298	MNYCGULBXVRCDI-UHFFFAOYSA-N	302.334	1.157	50	20	DDGD	
Cc1cc(NNC(=O)C[C@H](n2cccn2)C(F)(F)F)ncn1	857127665	WFYGXQFTJQHXRK-VIFPVBQESA-N	314.271	1.618	50	20	DDGD	
COCCN(C)NC(=O)Nc1cncc(Br)c1C	934267912	FUEVLKSNDGNVJK-UHFFFAOYSA-N	317.187	1.767	50	20	DDGD	
O=C(NNC(=O)c1cnc2[nH]nnc2c1)c1cccc(Cl)c1	754845505	LAACSDJMJDYGQH-UHFFFAOYSA-N	316.708	1.081	50	20	DDGD	
COC(=O)[C@@H]1CCN(CCI)[C@H](C)C1	933168810	MOGYBGQAHGBBEW-RKDXNWHRSA-N	311.163	1.695	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCO[C@@H](C(F)(F)F)C1	698732542	UCVKABKGRFXDIQ-MRVPVSSYSA-N	309.737	1.598	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H]1CCCN1C(C)C	935243552	WBVKSJFWUOEDBY-CQSZACIVSA-N	305.378	1.789	50	20	DDGD	
COC(=O)c1ccc(/C=C/C(=O)NN[C@H](C)C(F)(F)F)o1	869377324	WWLPKVWNOACCFH-PTYLAXBQSA-N	306.240	1.651	50	20	DDGD	
Cc1cc(OCC(=O)NNCC(F)(F)C(F)(F)F)no1	863091381	SLZVKYNJAUMECC-UHFFFAOYSA-N	303.187	1.180	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1c(F)ccc2c1OCO2	935803133	SZRJWNUBUDJNHG-UHFFFAOYSA-N	323.202	1.061	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@]12CCOC2)c1ccc(Cl)cc1O	763748045	VCXTUKBNPZAPJO-IINYFYTJSA-N	310.737	1.233	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1cc(O)nc2c1CCCC2	935308066	LVFZQUZGTCPZCF-UHFFFAOYSA-N	302.309	1.957	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCSc2c(F)cccc21	767827968	LDXROVVWYFXMFS-UHFFFAOYSA-N	321.377	1.764	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NNc1ncc(F)cn1	768324137	WDJIPRAIDZSPDI-ZETCQYMHSA-N	305.151	1.868	50	20	DDGD	
CCCN(C)c1ccccc1NC(=O)NNC(=O)c1cn[nH]c1	861648260	TVMYFMDCXYJWFP-UHFFFAOYSA-N	316.365	1.722	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2cnc3ccccn23)c1	761703307	WWIVJBANYSABPW-UHFFFAOYSA-N	323.356	1.475	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)O[C@@H]2CCCN(C)C2=O)c1	764506106	MICQWTYYPFFIOK-UZGISAJGSA-N	314.341	1.766	50	20	DDGD	
CSC1CCN(C(=O)NNC(=O)Cc2cccnc2)CC1	868211872	SCBYZVMZWMFZFY-UHFFFAOYSA-N	308.407	1.192	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cnn(C2CCCC2)c1	932884812	YEZYKJRTPDJBBJ-UHFFFAOYSA-N	303.366	1.954	50	20	DDGD	
COc1ccc(O)c(S(=O)(=O)NCC(Cl)Cl)c1	867471145	XBGPXWRWOHHUEF-UHFFFAOYSA-N	300.163	1.483	50	20	DDGD	
O=C(CSc1nncs1)NNc1ccc([N+](=O)[O-])cc1	768250128	QGMYFNHQWSOBPS-UHFFFAOYSA-N	311.348	1.682	50	20	DDGD	
COC(=O)CCCC(=O)NNc1ncccc1C(F)(F)F	764461945	LMUATFSCIBHIHX-UHFFFAOYSA-N	305.256	1.887	50	20	DDGD	
CCC[C@@H](CC1CCCC1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1	862456036	UMCNFAHMPXGNIV-STQMWFEESA-N	309.410	1.409	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(F)c1[N+](=O)[O-])[C@H]1CCC(=O)N1	861410818	VJDLVPQJRMKTBW-IONNQARKSA-N	310.285	1.092	50	20	DDGD	
Cc1oc(-c2ccccc2F)nc1C(=O)NNC(=O)C(C)(C)O	768244209	JDGIYLBHNHELPU-UHFFFAOYSA-N	321.308	1.321	50	20	DDGD	
O=C(NNC(=O)c1cccc([C@H]2CCOC2)c1)c1ccncc1	761177726	URWWHPRWZXTFCW-HNNXBMFYSA-N	311.341	1.660	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)c1c[nH]nc1C)c1ccccc1F	760292370	UOFXSQMIUVRMBM-OAHLLOKOSA-N	320.324	1.180	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1cc(-c2cccc(Cl)c2)on1	1116836371	YOGNDQLLZRMOIC-UHFFFAOYSA-N	324.724	1.530	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H]1COC2(CCCCCC2)O1	875464207	GCUODCOWPHTCQC-LLVKDONJSA-N	315.370	1.365	50	20	DDGD	
N#CCc1ccccc1CC(=O)NNC(=S)NCC1CCC1	776978329	TWPGARQUJOPBMS-UHFFFAOYSA-N	316.430	1.591	50	20	DDGD	
O=C(CO)NN=Cc1ccc(-c2nc3ccccc3s2)o1	776778101	STTNCXZOCZOSHB-UHFFFAOYSA-N	301.327	1.999	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)CCc2ccccc2O)o1	774008131	JABULUAKNQXUQO-UHFFFAOYSA-N	316.313	1.582	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1c[nH]nc1C)c1ccc(OC)cc1	775725352	MSXYNTVZRQZGHH-CYBMUJFWSA-N	316.361	1.682	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(-c2cncnc2)cc1F	773795628	YGEQVRRWOWPEDL-UHFFFAOYSA-N	303.297	1.247	50	20	DDGD	
COCCOCC(=O)NN=Cc1cccc(C(F)(F)F)c1	872402873	PKOAJYRUPUSLIS-UHFFFAOYSA-N	304.268	1.819	50	20	DDGD	
Cc1nn2cccnc2c1C(=O)NNc1cc(Cl)ccn1	778446461	IHCXUSUIOMWXAH-UHFFFAOYSA-N	302.725	1.843	50	20	DDGD	
CN1CCCC[C@@H](C(=O)NN=c2cc[nH]c3ccccc23)C1=O	878766324	WTSINCMLRNFANG-ZDUSSCGKSA-N	312.373	1.358	50	20	DDGD	
O=C(CN1CCC[C@H]2CCC[C@H]21)NNC(=O)c1cccs1	777589529	AGFJWKXGXDQKEA-VXGBXAGGSA-N	307.419	1.774	50	20	DDGD	
O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNc1ccccn1	777472869	FUNGQWBUQINFIU-VXGBXAGGSA-N	316.361	1.090	50	20	DDGD	
Cc1ccc(CC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)cc1	771907677	AAANBBXXZMYMLL-CYBMUJFWSA-N	320.389	1.663	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CC[C@@]1(C)CCC(=O)N1	770469385	IVBGHPYJQLZPSA-MRXNPFEDSA-N	303.362	1.205	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)CC(F)(F)F)C1=CCOCC1	1123744079	KCJGXQQOPDHAJZ-UHFFFAOYSA-N	323.315	1.642	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)c1ccc(OCC2CC2)cc1	882059791	MRSJFNFOJDWXCK-UHFFFAOYSA-N	312.329	1.340	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCO[C@@H](C(C)C)C1	778662910	WAYKUUYZURAZRT-CQSZACIVSA-N	321.377	1.406	50	20	DDGD	
C[C@H](C(=O)NNc1cc(F)ccc1F)[C@@H](C)S(C)(=O)=O	885142462	BUWPDKURGSWMNZ-JGVFFNPUSA-N	306.334	1.477	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1cn(C)cn1	772956093	VNWVECYUFKRMEV-SECBINFHSA-N	322.752	1.302	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(Br)oc1C	887150712	UZASOJLGNFHXLV-UHFFFAOYSA-N	313.151	1.915	50	20	DDGD	
Cc1cccc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)c1	771894990	SZUIWLOPJWLEFI-LBPRGKRZSA-N	306.362	1.734	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc2ccccc2n1	880490202	NBVLNWSGGNPSER-PWSUYJOCSA-N	314.345	1.813	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)cc1F	880921136	LFZANTOHHXPFNV-ZDUSSCGKSA-N	324.356	1.614	50	20	DDGD	
CCCOc1cccc(CC(=O)NNC(=O)C2CCOCC2)c1	883065995	FODJFZZWTCVKOD-UHFFFAOYSA-N	320.389	1.592	50	20	DDGD	
COC(=O)c1sccc1NC(=O)C(=O)NNc1ccccc1	784765243	QRFZSXXPPBAHQF-UHFFFAOYSA-N	319.342	1.617	50	20	DDGD	
COCCn1cc(C(=O)NNc2nccnc2Cl)c(C)n1	782854228	PVOJYBZSWPEWNA-UHFFFAOYSA-N	310.745	1.038	50	20	DDGD	
C=C/C=C/CCNC(=O)NNC(=O)COc1ccccc1OC	883416287	RDZBDWNGSUUBOJ-SNAWJCMRSA-N	319.361	1.537	50	20	DDGD	
O=C(NNC(=O)[C@@H](F)CC1CCCCC1)C1CCOCC1	883069562	NJFOHLUUCHZDQO-ZDUSSCGKSA-N	300.374	1.869	50	20	DDGD	
COCCONC(=O)NNC(=O)c1ccc2ccccc2c1	789830030	FPCYLIPAWKMILA-UHFFFAOYSA-N	303.318	1.362	50	20	DDGD	
CCC(=O)NN[C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O	784061385	QBEQMUTZHCKNDU-SNVBAGLBSA-N	303.284	1.133	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNC(=O)C2CCOCC2)cn1	883062179	SRJVPDHFNQYASQ-UHFFFAOYSA-N	307.350	1.056	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cnc2c(cnn2C(C)C)c1	782554270	ZTZUFOGOQJTELY-UHFFFAOYSA-N	304.354	1.821	50	20	DDGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)[C@@H]1CN(C)CCO1	787455544	UFSZWDCNAGUKRL-IZWMIFJYSA-N	315.373	1.134	50	20	DDGD	
C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NNc1ccccc1Cl	890509605	RJMFVVNWIJOHFA-KCJUWKMLSA-N	317.798	1.399	50	20	DDGD	
C[C@H](CCO)C1(CNS(=O)(=O)CBr)CCC1	782477106	NJCXPLMVFWEADB-SECBINFHSA-N	314.245	1.447	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCNC(=O)C1(C)C	781084459	RZQLRDSCUMYGEC-QMMMGPOBSA-N	305.216	1.533	50	20	DDGD	
C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NNc1cccc(F)c1F	890504200	CRASNEWPERFRAW-XCBNKYQSSA-N	319.333	1.024	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1cccc(C)n1)[C@@H]1CCCO1	793018051	VDJCNLBUZFAVQO-YPMHNXCESA-N	306.366	1.292	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)C[C@@H]1CCCOC1	792822895	OTGYJNZKWQGFTD-LBPRGKRZSA-N	310.781	1.847	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccc(C(F)(F)F)cn1	791257300	DWXAQSWQAXSLAF-UHFFFAOYSA-N	322.250	1.900	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2cn(C(C)(C)C)nn2)o1	790535024	XBAMVWRJUZFURK-UHFFFAOYSA-N	317.353	1.773	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCOc2cc(F)ccc21	794878914	JNXAEWFNAALDNX-UHFFFAOYSA-N	305.309	1.051	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)c1cccc(OC(F)F)c1	795082196	XONWOVMBPSBPMV-CQSZACIVSA-N	316.304	1.864	50	20	DDGD	
O=C(CN1CCc2ccccc2C1=O)NNc1ccnc(F)c1	790023363	QFJKXHBWIYFMAO-UHFFFAOYSA-N	314.320	1.362	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=CCc2ccc([N+](=O)[O-])cc2)n1	792936446	NRLBXRPTPUFXIP-UHFFFAOYSA-N	315.333	1.753	50	20	DDGD	
Nc1cnnc(NNC(=O)CCc2ccccc2F)c1Cl	1319800902	NBHJDEGKWRWUQM-UHFFFAOYSA-N	309.732	1.927	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](C)OC2CCCCC2)n1	1318872683	PRBXHJQLUHIIJP-NSHDSACASA-N	308.382	1.975	50	20	DDGD	
Cc1c(C(=O)NNC(=S)NC(C)C)c(O)nc2ccccc12	1319005556	NVMPUPRCUHJGGT-UHFFFAOYSA-N	318.402	1.766	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc(-n2cccc2)nc1	1322426074	FWEVIWBPRZDISA-UHFFFAOYSA-N	303.391	1.390	50	20	DDGD	
O=C(CO)NN=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	1324944546	FVXPPFJQFKKYBU-UHFFFAOYSA-N	323.692	1.951	50	20	DDGD	
CC(C)n1ccc(NC(=O)C(=O)NNc2ccnc(F)c2)n1	1321090338	VHSPUIHXMZVJJE-UHFFFAOYSA-N	306.301	1.080	50	20	DDGD	
COc1c(Cl)cccc1NC(=O)C(=O)NNc1cccnn1	1338694167	RSIHSNIGRTUVCD-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
CCn1c(C(=O)NNC(=O)N2CCOCC2)cc2ccccc21	1337967569	PKOLUYUTGYOKFW-UHFFFAOYSA-N	316.361	1.348	50	20	DDGD	
Cn1cncc1CCC(=O)NNC(=O)c1ccccc1Cl	1338899992	NXIZMZNNKOIGSB-UHFFFAOYSA-N	306.753	1.467	50	20	DDGD	
CC(=NNC(=O)C1CCOCC1)c1ccccc1-n1ccnn1	1330895238	CXOZCDDPVMAQQN-UHFFFAOYSA-N	313.361	1.534	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2cc(C)ncn2)o1	1330284827	DMJNRCMMEFKIKT-UHFFFAOYSA-N	315.377	1.984	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N[C@@H]1CNCC1(C)C)c1ccccc1	1335704078	PAAXBSQNMFKICJ-ZIAGYGMSSA-N	318.421	1.509	50	20	DDGD	
CN1CCCC[C@@H](C(=O)NNc2ccc(C(C)(C)C)nn2)C1=O	1336791715	VNJVAZUMOWJHEI-NSHDSACASA-N	319.409	1.476	50	20	DDGD	
COCc1nocc1C(=O)NC[C@@]1(C)C[C@H]1Br	1261780407	MXLRXTYEWABWCD-MWLCHTKSSA-N	303.156	1.724	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cccc3[nH]ccc23)nn1	1343320336	DGSZVSBZFQYECD-UHFFFAOYSA-N	310.317	1.348	50	20	DDGD	
CC[C@@H](C)n1nccc1C(=O)NNC(=O)c1ccc(C#N)cc1	1347528647	OQIQOFHKICNQQK-LLVKDONJSA-N	311.345	1.801	50	20	DDGD	
O=C(Nc1ccc2ncccc2c1)c1cc(B(O)O)ccc1F	1356522868	LCSPZCYUPYTSEW-UHFFFAOYSA-N	310.093	1.306	50	20	DDGD	
O=C(O)CCc1ccc(NC(=O)NNC(=O)CC2CC2)cc1	1602039683	DAYUYADRAOCSAK-UHFFFAOYSA-N	305.334	1.657	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C(=O)Nc1ccccc1C(=O)O	1601561505	LOFOAFQCISZWIX-UHFFFAOYSA-N	318.264	1.001	50	20	DDGD	
Cn1cc(NC(=O)NNC(=O)CC2CCCC2)cc1C(=O)O	1600965465	CPQDXEZBTVFHDJ-UHFFFAOYSA-N	308.338	1.456	50	20	DDGD	
O=C(O)Cc1cccc(NC(=O)NNC(=O)c2cccnc2)c1	1606312271	CGVVSWHJMUBXTQ-UHFFFAOYSA-N	314.301	1.175	50	20	DDGD	
O=C(C[C@H]1CCCC[C@@H]1O)NNc1ccc(-c2nn[nH]n2)cc1	1606589085	FJZYIHGJTGZLOK-YPMHNXCESA-N	316.365	1.251	50	20	DDGD	
O=C(COC[C@@H]1CCCO1)NNc1ccc(F)c(C(=O)O)c1	1601337635	DNIPDGZVWXXQKL-JTQLQIEISA-N	312.297	1.163	50	20	DDGD	
O=C(O)C[C@H](CNC(=O)NNc1ncc(F)cc1F)C1CC1	1601891433	KFKQSKGICGCFBC-MRVPVSSYSA-N	314.292	1.487	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@H](O)C1CCCCC1	1602231023	ROKQEQRMVLHQGP-CYBMUJFWSA-N	310.325	1.908	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc(C(=O)O)cn2)c(C(F)F)n1	1610600240	BBPQBNACZCQGAL-UHFFFAOYSA-N	311.248	1.208	50	20	DDGD	
Nc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)c(Cl)c1	1549319378	HRAALPXOBJMVDV-GXTWGEPZSA-N	322.796	1.236	50	20	DDGD	
CN1CCC(=NNC(=O)[C@H]2CCCO[C@H]2c2ccccc2)C1=O	1549084329	RJUJWXDVFOIZDT-ZFWWWQNUSA-N	315.373	1.489	50	20	DDGD	
I[C@@H]1COC[C@H]1OC[C@H]1CCCCO1	253145243	ZMMJHCBQYBZMLC-OPRDCNLKSA-N	312.147	1.775	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@H]2C[C@@H](C(=O)O)C2)cc(C#N)n1C	1574297855	JSURCWHUNDDNEC-XHGZQNRHSA-N	312.329	1.092	50	20	DDGD	
CN(Cc1ccccc1)C[C@H](N)C(=O)NNc1cccc(F)c1	1578493770	NNIPIAWAVKIHNU-INIZCTEOSA-N	316.380	1.728	50	20	DDGD	
COc1cccc([C@@H](C)CCCC(=O)NNC(=O)NCCN)c1	1579259318	OLKNGMNGAJRPOD-LBPRGKRZSA-N	322.409	1.258	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCNCC1)c1c[nH]c2ccccc12	1580733482	WBHDQCLXACAHFD-NSHDSACASA-N	300.362	1.319	50	20	DDGD	
Cc1cc(C(=O)NN(C)c2ccccn2)cc(C)c1-c1nn[nH]n1	1580870393	ACQMSFLYRUXESW-UHFFFAOYSA-N	323.360	1.660	50	20	DDGD	
O=C(C(Cl)Cl)N1CC2(CCCN2C(=O)[C@H]2C[C@@H]2F)C1	1845905217	TWCSLFYWBSJMKQ-YUMQZZPRSA-N	309.168	1.352	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1ccnnc1)C2	1845163979	FAYKGGBCBQTTPV-LBPRGKRZSA-N	322.796	1.311	50	20	DDGD	
C[C@@H](C(=O)O)c1ccc(NC(=O)NNC(=O)c2cc[nH]n2)cc1	1589511438	COTUBVLGIQDSQP-MRVPVSSYSA-N	317.305	1.064	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C[C@H](C)CC(=O)O)ccc1F	1598948988	PBSSWWVGWJORDH-QMMMGPOBSA-N	312.297	1.556	50	20	DDGD	
O=C(C(Cl)Cl)N1CC2(CCCN2C(=O)C23CC(C2)C3)C1	1846737079	NCOQQCNHYCLNBJ-UHFFFAOYSA-N	317.216	1.794	50	20	DDGD	
N#Cc1ccc(NNC(=O)NCc2ccc(C(=O)O)cc2)nc1	1594624247	VILSAYSSJJZVNN-UHFFFAOYSA-N	311.301	1.478	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNc1ccc(C(=O)O)cc1F	1597307643	GCPCLYPDCHIUBM-NEPJUHHUSA-N	311.313	1.718	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cc2cccn2cn1	1593162303	NWHTYSOSCDJVQQ-UHFFFAOYSA-N	320.316	1.271	50	20	DDGD	
C[C@@H](CC=NNC(=O)c1cc(Br)c[nH]1)C(=O)O	1592470259	GIVRSMVPCOVJHV-LURJTMIESA-N	302.128	1.604	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)NCC2CC2)[nH]c(C)c1C(=O)O	1596041719	DIQMSYJCRIBGHG-UHFFFAOYSA-N	322.365	1.328	50	20	DDGD	
Cc1nc(C(=O)N(C)CC(Cl)Cl)ccc1-c1nn[nH]n1	1592339836	BWRIMIMHTFZFBB-UHFFFAOYSA-N	315.164	1.446	50	20	DDGD	
CO/C(=C\c1ccccc1)C(=O)NNc1ccc(C(=O)O)cn1	1598685420	WKYRQOVPDNGXEG-LCYFTJDESA-N	313.313	1.910	50	20	DDGD	
O=C(O)c1cc(F)c(C=NNC(=O)c2cccnc2)c(F)c1	1776017612	QTHCZWLWNMYYFA-UHFFFAOYSA-N	305.240	1.822	50	20	DDGD	
C/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cl)CC	1799269536	CCXCXQWIHDJYQM-NBAPKIAESA-N	314.813	1.170	50	20	DDGD	
NC(=O)Nc1cccc(C(=O)NNC(=O)c2ccccc2F)c1	14800848	OUNJKMPWGXVWBM-UHFFFAOYSA-N	316.292	1.391	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(F)cc2cccnc12	162816622	VUHJBZXFHWCLHU-UHFFFAOYSA-N	320.324	1.354	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc2nc(C)ccc2c1	160434243	KIRWJKAGXLTHKV-UHFFFAOYSA-N	316.361	1.524	50	20	DDGD	
COc1ccc(C(=O)N/N=C2\C(=O)Nc3ccc(F)cc32)cc1	8228886	WAUYOFHOFJDNGV-UHFFFAOYSA-N	313.288	1.921	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)Cc2cn3ccccc3n2)[nH]1	151627625	WTDIIXKUEZUFPV-UHFFFAOYSA-N	311.345	1.283	50	20	DDGD	
C[C@H](C(=O)NNc1ccncc1Cl)N1CCSCC1	153759002	YUGIHOIALWKZBJ-SECBINFHSA-N	300.815	1.615	50	20	DDGD	
N#Cc1ccc(SCC(=O)NNC(=O)c2ccncc2)cc1	171268552	JEFNNROSIASOJW-UHFFFAOYSA-N	312.354	1.507	50	20	DDGD	
C[C@@H](COc1ccc(F)cc1F)NC(=O)NNc1ncccn1	56897638	JWCZLOFXTLKYLM-VIFPVBQESA-N	323.303	1.848	50	20	DDGD	
CC(C)CCO[C@@H](C)C(=O)NNC(=O)CCc1ccccc1O	106286794	BDOZTTXGSBAZDW-ZDUSSCGKSA-N	322.405	1.923	50	20	DDGD	
CCc1[nH]c(C(=O)NNC(=O)NCC2CC2)c(C)c1C(=O)OC	65192972	BKHMSMDJVPICDS-UHFFFAOYSA-N	322.365	1.026	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCc2ccccc2CC1	116301882	QYLLEPLISSNCPL-CQSZACIVSA-N	317.433	1.669	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CCOc2ccccc2)no1	60971564	AKRKTRXNEDQBKZ-UHFFFAOYSA-N	304.306	1.605	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12	68385280	YIBQHLSCAFKZNN-UHFFFAOYSA-N	320.309	1.215	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCCn1ccnc1)c1ccccc1	111786263	GRSRHPDBAWTIRS-AWEZNQCLSA-N	315.377	1.407	50	20	DDGD	
CN1CCC[C@@H]1C(=O)NNC(=O)c1cc(-c2ccccc2)on1	114073110	UWRXQSWGQXQFOP-CYBMUJFWSA-N	314.345	1.197	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@H](C)C(=O)NCc1ccccc1	67182232	YJAPXDNUKHXZMP-SLQMCABGSA-N	301.346	1.251	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])c(O)c2)o1	176326049	CYJMUNYJECJUHK-UHFFFAOYSA-N	305.246	1.277	50	20	DDGD	
O=C(CCc1nc(C2CCCC2)no1)NNc1ncc(F)cn1	122620441	ALEJOBIHWWBGOR-UHFFFAOYSA-N	320.328	1.732	50	20	DDGD	
Cc1cccc(CC(=O)NNC(=O)Cc2cn3ccccc3n2)c1	173879603	HOSWWPRLCCIFAL-UHFFFAOYSA-N	322.368	1.575	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NNC(=O)Cc1ccc(F)cc1	122011337	RTHCCIQCBBMJJC-XQQFMLRXSA-N	321.396	1.777	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(Br)c(C)n1	128748150	FCPWHMZMIJJCGY-UHFFFAOYSA-N	303.116	1.545	50	20	DDGD	
O=C(NCc1nnc2n1CCCC2)NNc1cc(Cl)ccn1	180995179	VKBBKIPAIBSUIQ-UHFFFAOYSA-N	321.772	1.489	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2ccc(OC(F)F)cc2)CC1=O	121813188	QXIXZRBVKOAMBC-VIFPVBQESA-N	313.304	1.600	50	20	DDGD	
O=C(CSCC(=O)c1ccccc1)NNC(=O)c1ccc[nH]1	121090961	ZTNSTGKZNUYTCV-UHFFFAOYSA-N	317.370	1.392	50	20	DDGD	
CCOc1cccc(NC(=O)C(=O)NNc2ccccn2)c1	181420717	CYHZCLXIOIMYMF-UHFFFAOYSA-N	300.318	1.562	50	20	DDGD	
Cc1ccc(F)c(NC(=O)C(=O)NNC(=O)CC2CCCC2)c1	125816457	XODYFKWVBHMCRX-UHFFFAOYSA-N	321.352	1.800	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cccc(Cl)n1	121915274	ZQNOYRGUCZAFMU-UHFFFAOYSA-N	319.748	1.747	50	20	DDGD	
C[C@@H](CBr)CN1CCCN(C(=O)C2CC2)CC1	121264064	RUNCFAAXYQWVIX-NSHDSACASA-N	303.244	1.962	50	20	DDGD	
CCNC(=O)NNC(=O)c1c[nH]nc1-c1ccccc1Cl	127725279	KUVHIINOWBEZAX-UHFFFAOYSA-N	307.741	1.694	50	20	DDGD	
CC(C)Cc1cc(C(=O)NNC(=O)c2ccc[nH]2)cc(O)n1	183480623	VZDYKTPARJVRPY-UHFFFAOYSA-N	302.334	1.389	50	20	DDGD	
CN(CC(=O)NC1CC1)C(=O)/C(C#N)=C\c1ccc(F)cc1	181887747	BECWYAVDVCUWOM-WQLSENKSSA-N	301.321	1.470	50	20	DDGD	
O=C(CSc1nnc2ccccn12)NNc1ccnc(F)c1	180406543	QSKPLWBMMHSCKX-UHFFFAOYSA-N	318.337	1.499	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2ccc(F)c(C)c2)n1	184930150	BJEOQFASDQDEDY-UHFFFAOYSA-N	319.340	1.800	50	20	DDGD	
CN(C)C(=O)c1ccc(C(=O)NNC(=O)c2ccccc2)cc1	76764982	WVAQXMSTVOXCNG-UHFFFAOYSA-N	311.341	1.463	50	20	DDGD	
N#CC(C#N)=CNCCN1CCN(c2cccc(Cl)c2)CC1	130268409	YHWAGHUFVLAHQY-UHFFFAOYSA-N	315.808	1.983	50	20	DDGD	
Cc1cc(NNC(=O)c2c[nH]c(=O)c3ccccc23)nc(C)n1	190532561	SQPSLIBGZAPJJO-UHFFFAOYSA-N	309.329	1.692	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@H](C)Oc2ccccc2)o1	84158931	FRAIIARWIRHUCR-GFCCVEGCSA-N	317.345	2.000	50	20	DDGD	
CCOc1c(Cl)cc(C(=O)NNC(=O)NC)cc1OC	48950051	SIXAMMQSUINZKJ-UHFFFAOYSA-N	301.730	1.321	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)NC(C)C)cc1OC	47464186	AGFYTWSIXHSXHI-UHFFFAOYSA-N	309.366	1.836	50	20	DDGD	
COC(=O)C1(C(=O)NNc2cccc(Br)c2)CC1	134999041	BNLUJQBIXHFAQX-UHFFFAOYSA-N	313.151	1.845	50	20	DDGD	
C#CCOc1ccc(C(=O)NNC(=O)Cc2ccncc2)cc1	81025638	LUBARVHJWYLJDW-UHFFFAOYSA-N	309.325	1.097	50	20	DDGD	
CCOC[C@H](NC(=O)NNc1cncc(Cl)n1)C(C)C	191771448	VCQDUTSDTISOLW-VIFPVBQESA-N	301.778	1.817	50	20	DDGD	
COc1c(F)ccc(F)c1C(=O)NNC(=O)c1cccnc1	133062034	XJPXBYWBXBXFQQ-UHFFFAOYSA-N	307.256	1.443	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)c2cccc(N(C)C)c2)on1	194684412	VUUJAOHYYOWUFB-UHFFFAOYSA-N	317.349	1.193	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCN2CCC[C@@H](C)C2)o1	84153000	KPAKTIAWDCKODA-LLVKDONJSA-N	308.382	1.264	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C[C@@H]2CCCCO2)c1	86976382	YSUSIOKUDVJXAN-AWEZNQCLSA-N	306.362	1.480	50	20	DDGD	
O=C(CC1CCC2(CC1)OCCO2)NNC(=O)c1ccc[nH]1	191097797	SGNJPCGJUJMYCG-UHFFFAOYSA-N	307.350	1.099	50	20	DDGD	
Cc1cccnc1NC(=O)NNC(=O)Cc1ccc(F)cc1	145419108	GURSOQBSJCCOCO-UHFFFAOYSA-N	302.309	1.925	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCCc2ccccn2)cc(C#N)n1C	255129308	QHQJXDZMXLFCPV-DHDCSXOGSA-N	319.368	1.866	50	20	DDGD	
CCC(CC)CNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	264291588	GZTSIGBTIUNWPS-AWEZNQCLSA-N	321.377	1.593	50	20	DDGD	
CC(C)[C@H]1CN(C(=O)NNC(=O)Cc2cccnc2)CCS1	266773968	QLGWASBJMSZMFD-CYBMUJFWSA-N	322.434	1.438	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)CC2CC2)c(OC)c1	275632169	LQZUEQGUXLSNDI-UHFFFAOYSA-N	321.333	1.435	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1ccc(OCC(C)C)cc1	272671480	KUCKIIPAJOSAIX-UHFFFAOYSA-N	307.394	1.956	50	20	DDGD	
CC(C)[C@@H]1C[C@H](NC(=O)NNC(=O)Cc2cccnc2)CCO1	271535738	OVIKCOXADPWYQU-KGLIPLIRSA-N	320.393	1.158	50	20	DDGD	
CC(C)(C)Oc1ccc(CNC(=O)NNC(=O)C2CCC2)cn1	272284244	GAUNEBXZIDQRQB-UHFFFAOYSA-N	320.393	1.889	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@@H]1CCCN1C1CCCC1	276686615	DSRYEGSFPAFSOX-ZDUSSCGKSA-N	314.393	1.579	50	20	DDGD	
O=C(NNc1cccnn1)N[C@H]1CC(=O)N(C2CCCCC2)C1	271364831	HWSKDYUKZARTCR-NSHDSACASA-N	318.381	1.036	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cnc(C2CC2)nc1N	289016627	HUXHNIQSQJVWOQ-UHFFFAOYSA-N	311.345	1.319	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1	286234494	GEKMAQUIFRHARX-ZDUSSCGKSA-N	319.361	1.268	50	20	DDGD	
COc1cccc(OC)c1C(=O)NNC(=O)NCC(F)(F)F	281170264	ITTYWNBOXCRFFB-UHFFFAOYSA-N	321.255	1.210	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccn(-c2ncccc2F)n1	372266155	ICMGJTDJLLCLNF-MDZDMXLPSA-N	301.281	1.789	50	20	DDGD	
C[C@H](C(=O)NNc1ncccc1F)n1nnnc1C(C)(C)C	285939528	KGKKRFYRUVYYMG-MRVPVSSYSA-N	307.333	1.209	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1	286247388	GUNSBSPFHBGTON-NSHDSACASA-N	313.260	1.187	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1ccc(SC)c(Cl)c1	296279304	YYXVEDZPBUFYNY-UHFFFAOYSA-N	324.811	1.953	50	20	DDGD	
CO[C@H](C)c1nsc(NC(=O)NNC(=O)c2cccnc2)n1	809925102	BYYUKTODRRUWHT-SSDOTTSWSA-N	322.350	1.107	50	20	DDGD	
CCN(CC)CCNC(=O)NNc1cccc(NC(C)=O)c1	297479488	ZRCWASDOSBACIL-UHFFFAOYSA-N	307.398	1.613	50	20	DDGD	
C[C@@H](CNS(=O)(=O)CCl)CN(C)C(=O)OC(C)(C)C	1347839831	YIKOZBQFDZTAIR-VIFPVBQESA-N	314.835	1.605	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)CN2CCCCCC2=O)c1	293931424	MXKMZBZALHRKQF-UHFFFAOYSA-N	318.377	1.491	50	20	DDGD	
O=C(NCc1nc(C2CC2)n[nH]1)NNc1c(F)cccc1F	298214353	VAMSQEVBKUEAOX-UHFFFAOYSA-N	308.292	1.787	50	20	DDGD	
Cn1nnc2c1C[C@@H](C(=O)NNc1ncccc1Cl)CC2	291353467	RVSWRJGGVPKJPP-QMMMGPOBSA-N	306.757	1.112	50	20	DDGD	
COCC1(CCNC(=O)NNc2cncc(Cl)n2)CCC1	297231557	GOBVUOBGSSDDRY-UHFFFAOYSA-N	313.789	1.963	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(C(C)(C)O)cc1	807975208	KGMRVRJLHMUVID-GFCCVEGCSA-N	308.378	1.416	50	20	DDGD	
C[C@H](O)c1ccc(CNC(=O)NNC(=O)OC(C)(C)C)cc1	299527933	NEWYZKDYYIIDLW-JTQLQIEISA-N	309.366	1.979	50	20	DDGD	
C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NNc1ncncc1F	294002990	MHNDCXZKRLZQJR-MEBBXXQBSA-N	304.325	1.614	50	20	DDGD	
CC(C)n1nccc1C(=O)NNc1ccc(-n2ccnc2)nn1	804958190	NTUCFKLVWPNPFL-UHFFFAOYSA-N	312.337	1.197	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)[C@H]2CCCCO2)s1	295374736	KGKNXWHOKAPIFB-SNVBAGLBSA-N	311.407	1.734	50	20	DDGD	
COC(=O)C(=O)CCCOC(=O)/C(C#N)=C\c1ccccc1	803482912	DOVFYBIMCGPNDT-RAXLEYEMSA-N	301.298	1.659	50	20	DDGD	
COc1ccc(OC)c(CCC(=O)NNC(=O)CC2CC2)c1	294266203	UPTPHCWTVHQAMR-UHFFFAOYSA-N	306.362	1.584	50	20	DDGD	
Cc1cc(=O)cc(C)n1CCCC(=O)NNC(=O)CC1CC1	294044678	FHEAIXRLHMLCGX-UHFFFAOYSA-N	305.378	1.193	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1c(F)cc(C)cc1F	818048670	LMCYSLGGOSVKJV-UHFFFAOYSA-N	307.322	1.176	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)O)CCC1=NNC(=O)COc1ccccc1O	814952649	JSZNWFKYWRCDEK-QWRGUYRKSA-N	320.345	1.764	50	20	DDGD	
COc1ccc(C)cc1-n1ccc(C(=O)NNc2nc[nH]n2)n1	816633128	OVLYXIGRLQNYQP-UHFFFAOYSA-N	313.321	1.064	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NN=C(C)Cn2cccn2)c1	814883602	SWOWUSPONVOVKC-UHFFFAOYSA-N	300.322	1.042	50	20	DDGD	
CSCC(=NNC(=O)CO)c1ccc(C(F)(F)F)cc1	814896015	DKTPDPDLMZJYPV-UHFFFAOYSA-N	306.309	1.881	50	20	DDGD	
Cc1ccoc1CNC(=O)NNC(=O)Cc1ccc(F)cc1	813842392	KCCNUBYISXSRLI-UHFFFAOYSA-N	305.309	1.800	50	20	DDGD	
COCC(=O)NN=C(C)CCc1ccc(OCC(=O)O)cc1	814872359	LYWISCRSWVGITI-UHFFFAOYSA-N	308.334	1.221	50	20	DDGD	
O=C(NNC(=O)[C@H](F)C(F)(F)F)c1cccc2cccnc12	810270257	RSNSCHPCAJHRHG-JTQLQIEISA-N	315.226	1.896	50	20	DDGD	
C[C@H]1Oc2ccccc2[C@@H]1NC(=O)NNc1ncncc1F	814335005	DXVKDSOQELRXMG-PRHODGIISA-N	303.297	1.764	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=C(C)C[C@@H]1CCC(=O)N1	811631721	KPEZBSDHHNGRMT-AWEZNQCLSA-N	317.389	1.789	50	20	DDGD	
COCCCNC(=O)NN=Cc1cnn(-c2ccc(F)cc2)c1	728174245	MYRLTMXQVRPJRF-UHFFFAOYSA-N	319.340	1.681	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)CC1CC(F)(F)C1	825968456	AKKQARHVZVVPHW-UHFFFAOYSA-N	312.316	1.786	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1	823983702	ZPFOLEGWXCLVGU-NSHDSACASA-N	323.393	1.991	50	20	DDGD	
Cc1nc2n(n1)C[C@@H](NC(=O)NNc1cccc(C#N)c1)CC2	727229764	VNETVCZEWUGCIO-ZDUSSCGKSA-N	311.349	1.099	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1CCCc2sccc21	826923970	YQQSLHIBXMHMRZ-NHCYSSNCSA-N	323.418	1.881	50	20	DDGD	
O=S(=O)(CCl)N[C@H](CO)Cc1c[nH]c2ccccc12	820791884	GWDGVBYRVCIEES-JTQLQIEISA-N	302.783	1.187	50	20	DDGD	
O=C(CN1CCOC1=O)NNc1cc(C(F)(F)F)ccc1F	821291899	VIRFSXMENJDTAI-UHFFFAOYSA-N	321.230	1.740	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2CCSC2)o1	820201861	BGHZEYAJVGHLMK-SSDOTTSWSA-N	323.382	1.174	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN([C@@H](C)c2nccs2)CC1	490881851	ZLRJMRZQJOUCRT-KLDSGFLGSA-N	320.418	1.792	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc2ncsc2c1	495366989	LRMDSGXZZIKLLI-UHFFFAOYSA-N	308.319	1.012	50	20	DDGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2cnnn2C)cc1	490702732	ZWRUDHUENYDTFU-LFTLCWSBSA-N	311.345	1.608	50	20	DDGD	
CN(NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)C(N)=O	494434071	IWKAWTLWBHWEKT-UHFFFAOYSA-N	308.338	1.689	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NC[C@H]1CCCS1(=O)=O	491052246	VKWYSYURNNUPDM-CEFACKQISA-N	322.361	1.426	50	20	DDGD	
CCC[C@H](NC(=O)NNC(=O)c1ccc[nH]1)c1ccccn1	729612166	AQLVFCLETBEHOG-LBPRGKRZSA-N	301.350	1.895	50	20	DDGD	
CC(=NNC(N)=O)c1ccccc1I	727779417	BFKVLWVXLYXGQI-UHFFFAOYSA-N	303.103	1.684	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)C[C@@H](C)COC1CCCC1	496313361	QJXKQZRLVZGHAB-JTQLQIEISA-N	308.400	1.114	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCCN2CCCC(C)(C)C2)cn1	491176801	RUYZYHIZBBCURB-DHDCSXOGSA-N	315.421	1.565	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2C[C@@H](C)OC2=O)cc1	491158876	GRJSNCDWHLXMED-KXPSEFJGSA-N	314.341	1.812	50	20	DDGD	
Cc1cc(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)c(C)o1	826266357	MKIJJNCLMAIZIY-UHFFFAOYSA-N	310.317	1.840	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNC(=S)N[C@@H](C)C1CC1)C(C)C	824327281	DKPHXOGSRLSPAY-GXSJLCMTSA-N	315.439	1.116	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)/C(C#N)=C\c2ccc(F)cc2)n1	490697937	RDLQOMYPTVVNPT-LCYFTJDESA-N	324.315	1.897	50	20	DDGD	
C[C@@H]1CO[C@H](CO)CN1C(=O)/C(C#N)=C\c1ccc(F)cc1	490841973	JZTHSPVTFSDIBG-XNGVPUGWSA-N	304.321	1.341	50	20	DDGD	
COCCN(C)NC(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1	495680644	WAFBJXYUWLNQEJ-HNNXBMFYSA-N	315.414	1.243	50	20	DDGD	
COC(=O)NCCC(=O)NNc1cc(C(F)(F)F)ccn1	496666029	YLPKPKBEJPLVTO-UHFFFAOYSA-N	306.244	1.290	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(CSc2nc[nH]n2)cc1	823960203	XNSJNSLGCCQMOI-JTQLQIEISA-N	321.406	1.054	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=C1C[C@H](C)N(C)C1	496046024	TZFYCOAWPBXUEM-WCQYABFASA-N	322.409	1.099	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1cccc(Br)c1O	735410794	XBADIHZGHOATDP-UHFFFAOYSA-N	323.150	1.950	50	20	DDGD	
O=C(c1cc(-c2ccccc2)ns1)N1CC[C@@H](B(O)O)C1	585064704	ATYVESJFHBQXRC-LLVKDONJSA-N	302.164	1.499	50	20	DDGD	
O=C(CCC(F)(F)F)NNc1cccc(-c2nn[nH]n2)c1	826405731	RJYWSDRNCAKRJU-UHFFFAOYSA-N	300.244	1.652	50	20	DDGD	
O=C(NN=C/C=C/c1ccco1)c1cccc(-c2nn[nH]n2)c1	738128715	JHGVQTQXZWRJAM-NQQSTDBQSA-N	308.301	1.889	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccnc(C3CC3)n2)cc1	732627288	GWFNAWVTZAZPDR-UHFFFAOYSA-N	310.357	1.991	50	20	DDGD	
COC(=O)NN=Cc1ccc(OC)c(O)c1Br	495392980	JBYITHNBXNQCLE-UHFFFAOYSA-N	303.112	1.853	50	20	DDGD	
COCCn1ccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)n1	490909356	MZJQSYVEGOBAJP-JLHYYAGUSA-N	312.329	1.781	50	20	DDGD	
C[C@@H](CNCc1cccc(B(O)O)c1)Oc1ccccc1F	585026260	FHGHZWLESDABGV-LBPRGKRZSA-N	303.142	1.063	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1cccc2cc[nH]c12	495514941	TVZNVDHYFRXONA-UHFFFAOYSA-N	318.333	1.662	50	20	DDGD	
Cc1cc(F)ncc1C=NNC(=O)CCCNC(=O)C(C)(C)C	901261994	CMANVIOBATXGJY-UHFFFAOYSA-N	322.384	1.922	50	20	DDGD	
CCC(CC)n1nc(C)cc1C(=O)Nc1cccc(B(O)O)c1	584914203	RUBUTGQGAJDQSS-UHFFFAOYSA-N	315.182	1.485	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCO[C@@H](CF)C1	839803226	FJNDZVKYEPXHEC-NSHDSACASA-N	303.765	1.549	50	20	DDGD	
CC[C@H](C)[C@@H](NNC(=O)c1ccc(OC)cc1OC)C(=O)OC	905759246	JMSYIHYVKWYBFR-IINYFYTJSA-N	324.377	1.526	50	20	DDGD	
O=C(NCB(O)O)[C@H](Sc1ccc(F)cc1)c1ccccc1	585059730	YPAFQMUHCDFYKS-CQSZACIVSA-N	319.166	1.787	50	20	DDGD	
Cn1cc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)cn1	739026031	IJRMYTZFYSGQTC-GORDUTHDSA-N	317.257	1.645	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21)c1cccc2cccnc12	906463405	XCTUNKZPFVEGCY-LERXQTSPSA-N	309.325	1.221	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)CCc2ccccc2)CCOC1	733352452	UOPCTDGCZPSXSO-INIZCTEOSA-N	305.378	1.376	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CN[C@@H]2CCC[C@@H]3C[C@@H]32)cc1	830572289	GBZLWIZRYXCSNG-QLFBSQMISA-N	312.373	1.097	50	20	DDGD	
COc1cc(CCC(=O)NNc2nccnc2C(C)C)on1	834580150	GIFVCQOXIILBKQ-UHFFFAOYSA-N	305.338	1.673	50	20	DDGD	
CN(C)CC(=O)NN=C1CCN(C(=O)OC(C)(C)C)C1(C)C	834953885	FMZXMQFZVWSJPM-UHFFFAOYSA-N	312.414	1.440	50	20	DDGD	
COCCC(=NNC(=O)CN1CCCC1=O)c1ccc(F)cc1	734745608	PTGCXAKEHKEVTO-UHFFFAOYSA-N	321.352	1.305	50	20	DDGD	
Cc1noc(C)c1CCNC(=O)NNc1ccc(Cl)nn1	730584105	WZRSHTGXTCPACD-UHFFFAOYSA-N	310.745	1.604	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H]1CC(c2ccc(C)cc2)=NO1	900382596	GPCAHAPCRKJJLS-CQSZACIVSA-N	318.377	1.619	50	20	DDGD	
CCn1c(CCNS(=O)(=O)CCl)nc2ccccc21	830235606	LAYYDSVVRCYYKL-UHFFFAOYSA-N	301.799	1.714	50	20	DDGD	
O=C(CCCn1ccccc1=O)NNc1ccccc1[N+](=O)[O-]	735028741	OFFCIHRFIFJLPY-UHFFFAOYSA-N	316.317	1.680	50	20	DDGD	
CC(C)(C(=O)NNC(=S)NC1CCOCC1)c1ccccc1	731161409	ZSRQFHKLMSFXOB-UHFFFAOYSA-N	321.446	1.639	50	20	DDGD	
C=C(CBr)CN1CCN(C(COC)COC)CC1	839621507	ASQWJRDJVBZWCS-UHFFFAOYSA-N	321.259	1.217	50	20	DDGD	
NNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1	917371837	XJWXGCRTDMXBFG-UHFFFAOYSA-N	309.322	1.230	50	20	DDGD	
Cc1ccc2c(c1)[C@H](NC(=O)NNC(=O)[C@@H]1CCCCO1)CC2	836286385	GDLRORUSZCJYNF-CABCVRRESA-N	317.389	1.882	50	20	DDGD	
O=S(=O)(CCl)NCC1(CN2CCOCC2)CCCCC1	830812239	KLFJIOWHUDXYKM-UHFFFAOYSA-N	324.874	1.385	50	20	DDGD	
COCCOCc1cccc(NC(=O)NNc2ccncn2)c1	836297270	CUZHJLMFVWPURY-UHFFFAOYSA-N	317.349	1.788	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CN1CCCC1=O)c1ccc(F)cc1	913732085	HKKVBQMVUYRBCM-ZDUSSCGKSA-N	321.352	1.089	50	20	DDGD	
CO[C@H](C=NNC(=O)COc1ccccc1F)C1CCOCC1	834922096	LTWDGWNFZNUSSG-OAHLLOKOSA-N	324.352	1.748	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C)nc1C1CC1	838340059	RGFMRAGNOMVQAP-JTQLQIEISA-N	319.361	1.370	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(C(=O)O)c1)C(C)(C)CN(C)C	833520805	IFPVVWOLMIBGPB-NSHDSACASA-N	322.409	1.987	50	20	DDGD	
O=C(c1ccccc1)N1CC[C@H](NS(=O)(=O)CCl)C1	830863827	HIIQLWLPWMVOFP-NSHDSACASA-N	302.783	1.017	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@H]1CN1CCCCC1	744396601	LLCFRIBCDXZJJN-AWEZNQCLSA-N	324.469	1.130	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1cc2ccccc2nc1O	916357849	OKRNXNVJTGFNCB-UHFFFAOYSA-N	312.329	1.013	50	20	DDGD	
CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)C(=O)NN	841200012	XTIKIFHDXHNPKX-UHFFFAOYSA-N	313.379	1.151	50	20	DDGD	
CO[C@@H](CS(=O)(=O)NNC(=O)c1ccccc1C)C(C)C	842576331	VIOXSVXBJQAVDM-ZDUSSCGKSA-N	314.407	1.230	50	20	DDGD	
Cc1nnc2ccc(C(=O)NNC(=O)CCc3ccccc3)cn12	749959870	SVSMDFZOJAZMNU-UHFFFAOYSA-N	323.356	1.432	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H](C[C@H]1CCCO1)C(F)(F)F	846228615	PABYDSYLNAVTII-NXEZZACHSA-N	308.300	1.682	50	20	DDGD	
NC(=O)C(=O)NN=Cc1sc(Nc2ccccc2)nc1Cl	916272524	ZUIBLFRMVLNDME-UHFFFAOYSA-N	323.765	1.476	50	20	DDGD	
Cc1ncc(C=NNC(=O)[C@H](C)CN2C[C@@H](C)O[C@H](C)C2)s1	917544133	XMCQCDUEDSHTSU-IJLUTSLNSA-N	324.450	1.647	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	843657354	QKKISTSZZUSRQN-GXFFZTMASA-N	320.345	1.049	50	20	DDGD	
CSSCCNC(=O)[C@]1(c2ccccc2)CNC(=O)C1	847024029	DNVYSJNNXOROEG-AWEZNQCLSA-N	310.444	1.572	50	20	DDGD	
COCCn1cc(C=NNC(=O)Cc2ccccc2OC)cn1	743438732	PUZRYBILACSOAF-UHFFFAOYSA-N	316.361	1.231	50	20	DDGD	
CCN1C[C@H](CNC(=O)NNc2ccccc2Cl)CC1=O	845492407	UNWQDLACOJUQHQ-JTQLQIEISA-N	310.785	1.835	50	20	DDGD	
COCCN1CC[C@H](NC(=O)NNc2ccc(F)c(F)c2)C1	919634267	HNINGEIAZJVWAG-NSHDSACASA-N	314.336	1.312	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=C1CCC(O)(C(F)(F)F)CC1	842551695	FQFBRYYUTGWYHI-RWPGAEDHSA-N	308.300	1.751	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@H]2CCCN2C)c1	843871015	UMKFBAONRNXATK-CYBMUJFWSA-N	305.382	1.317	50	20	DDGD	
O=C(O)COc1ccc(C=NNC(=O)NC2CCCC2)cc1	743532017	KTBXYHKIJNLEHE-UHFFFAOYSA-N	305.334	1.726	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccccc1Cn1cccn1	746103687	SIFFAPLYZHZNFD-UHFFFAOYSA-N	323.356	1.345	50	20	DDGD	
CO[C@@H]1CCCCC1=NNC(=O)[C@@H]1COc2ccccc2O1	915941405	NCFQSRVRLCHKJJ-DOMZBBRYSA-N	304.346	1.888	50	20	DDGD	
COc1ccc2c(c1)[C@H](C(=O)NNC(=O)C(C)(C)O)CCC2	847857029	ZPQXHJXULCVNFF-GFCCVEGCSA-N	306.362	1.033	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2c[nH]c3ccccc23)cnn1C	915619819	QMQAZKPFTZIPMX-UHFFFAOYSA-N	311.345	1.539	50	20	DDGD	
COc1cc(C=NNC(=O)Cc2ccncc2)cc(OC)c1O	747641503	CTEGVFQXVGSXNK-UHFFFAOYSA-N	315.329	1.497	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1Cc2ccccc21	743369034	XLZJZESWHSPNCW-CYBMUJFWSA-N	316.382	1.873	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cc2cccc(OC)c2o1	748259428	JDUUNYZVSZKSJV-LLVKDONJSA-N	320.345	1.943	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCC1(C#N)CCC1	842199207	SIOFIXIZIRXMIK-UHFFFAOYSA-N	302.334	1.333	50	20	DDGD	
Cc1ccc(C(F)(F)F)cc1S(=O)(=O)NNC(=O)C(C)C	747595729	FZOYJJDTVRPRRE-UHFFFAOYSA-N	324.324	1.979	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)Nc2cccc(NC(=O)NN(C)C)c2)CO1	843870064	MPOCCISZHROJHF-WDEREUQCSA-N	306.366	1.648	50	20	DDGD	
O=C(NN=Cc1ccc(Br)cc1)N1CCOCC1	745603216	XQNCERZGNMVVMD-UHFFFAOYSA-N	312.167	1.825	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)nn1	842247226	FQIDKHVEYODKQT-UHFFFAOYSA-N	322.300	1.837	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCO[C@H]2C)ccc1OC(C)=O	842558227	RKIFRTQNENQJKH-GXFFZTMASA-N	320.345	1.496	50	20	DDGD	
Cc1nnccc1C(=O)NNC(=O)c1cccc2ncccc12	753292810	FZTNLWITYKMPMO-UHFFFAOYSA-N	307.313	1.408	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@H]1Cc2cccc(O)c2C1	759462875	QNICKQWVPKDUBI-VIFPVBQESA-N	319.752	1.629	50	20	DDGD	
Cc1c(NNC(=O)N[C@H]2CC[C@H](O)CC2)cccc1[N+](=O)[O-]	753716863	QSTPWFHMHMIMFW-XYPYZODXSA-N	308.338	1.833	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@H]2Cc3ccccc3S2)n1	753449656	IOONFKQPRMVPGI-SECBINFHSA-N	321.793	1.872	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)C2CCCC2)COc2ccccc2O1	858427850	JAGABMPDNBRUTP-MRXNPFEDSA-N	304.346	1.554	50	20	DDGD	
O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)c1cnco1	759659759	AFTNZTMLXSBLJU-UHFFFAOYSA-N	317.273	1.428	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@@H]1CCc2nnn(C)c2C1	855370374	WUQAPDZRNWEKIQ-SNVBAGLBSA-N	303.341	1.511	50	20	DDGD	
O=C(NCC1CC1)NN=Cc1c(-n2ccnc2)nc2ccccn12	755667811	CYCGYWOQFTWGLP-UHFFFAOYSA-N	323.360	1.563	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)c1cn[nH]c1)c1ccccc1	858703734	BPSNFYHLLICVHE-LLVKDONJSA-N	301.350	1.548	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)Nc1nc2ccsc2s1	756638927	XFLISHUMZXASFN-UHFFFAOYSA-N	322.375	1.476	50	20	DDGD	
Cn1cc(C=NNC(=O)c2ccccn2)c(-c2ccncc2)n1	920357770	ZQOOQFGMFCZUAG-UHFFFAOYSA-N	306.329	1.641	50	20	DDGD	
C[C@@]1(CNC(=O)NCCOCC(F)F)C[C@@H]1Br	856851119	AVYJBYGALNWLJL-XVKPBYJWSA-N	315.158	1.741	50	20	DDGD	
CCOC(=O)N1CCC(C)(C=NNC(=O)NCC2CC2)CC1	853295955	XGZQEEOAGUKKMQ-UHFFFAOYSA-N	310.398	1.940	50	20	DDGD	
CCCc1ccc(NC(=O)NNC(=O)[C@H](C)OCCOC)cc1	755468470	GEPCBAXLBFAJKL-LBPRGKRZSA-N	323.393	1.843	50	20	DDGD	
N#CC[C@H]1CCCN(C(=O)NNC(=O)c2ccc(C#N)cc2)C1	852029543	LXPYZQRWRAJRJF-CYBMUJFWSA-N	311.345	1.538	50	20	DDGD	
CCn1nccc1C=NNC(=O)c1cc([N+](=O)[O-])ccc1O	753708783	JGSYXGRTSRMTOF-UHFFFAOYSA-N	303.278	1.281	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCC[C@@H](CC#N)C2)cc1	852319096	GWTQBPGPIKVCJB-AWEZNQCLSA-N	314.389	1.382	50	20	DDGD	
O=C(NC[C@@H]1C[C@H]1C1CCC1)NNC(=O)c1cccc(F)n1	852386879	LVSPROCMNXOKBK-QWRGUYRKSA-N	306.341	1.601	50	20	DDGD	
CCC(F)(F)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855829307	RWJWOCVOHWHEFR-UHFFFAOYSA-N	307.341	1.122	50	20	DDGD	
COC1CC(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)C1	858131312	REPGXVLTBHHXCP-UHFFFAOYSA-N	306.406	1.775	50	20	DDGD	
COC(=O)C1CCC(=NNC(=O)CNc2ccccc2)CC1	754910457	OKKHZEGXZWJESS-UHFFFAOYSA-N	303.362	1.934	50	20	DDGD	
CN(C)c1ncnc2c1cc(C(=O)NCCCSC#N)n2C	854361071	MRHMCZBUGZIBQP-UHFFFAOYSA-N	318.406	1.368	50	20	DDGD	
C=CCC1(NC(=O)/C(C#N)=C/c2cnn(C)c2)CCOCC1	855686806	VVQDVGBSUCDILP-NTEUORMPSA-N	300.362	1.569	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1ccc(F)nc1	755195236	ZATOGMFLOFUOKG-UHFFFAOYSA-N	301.203	1.786	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)c1cccc(C(=O)O)c1	853426054	NMCYNNNCCAHJJS-LBPRGKRZSA-N	303.318	1.159	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)CSc2ccccc2O)CCOC1	754426723	JPTBIGMRWRVFRT-AWEZNQCLSA-N	310.375	1.058	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@H]1CCCc2nn(C)cc21)C1CC1	855096539	CFCCNDDGNQUBOG-KOLCDFICSA-N	321.450	1.134	50	20	DDGD	
CO[C@](C)(C(=O)NNc1ncccc1F)C(=O)OC(C)(C)C	854415233	DSBWGSKIJZLNBM-CQSZACIVSA-N	313.329	1.411	50	20	DDGD	
CCN(CC)C(=O)CNC(=O)/C(C#N)=C/c1ccc(F)cc1	751521613	SJOWVQUYBZOYSD-UKTHLTGXSA-N	303.337	1.717	50	20	DDGD	
CC(C)(CO)CCCNC(=O)NNc1ncc(Cl)cn1	856870214	QLMQSEKAKWNVTG-UHFFFAOYSA-N	301.778	1.555	50	20	DDGD	
CC(C)CCOCCNC(=O)NNc1ncc(Cl)cn1	856851346	DUKWECRBJSQTCA-UHFFFAOYSA-N	301.778	1.819	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C2CCCC2)nn1CCC#N	757831995	WWYAZTYAFBBDKW-UHFFFAOYSA-N	304.354	1.448	50	20	DDGD	
CSSCCNC(=O)NCC(C)(C)[C@]1(O)CCCOC1	854051847	ZSHSLIVYASSZLY-ZDUSSCGKSA-N	322.496	1.865	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=C1CCCn2nccc21	853264948	YOQSICGBRIQDHL-UHFFFAOYSA-N	308.345	1.767	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(Cl)cc2cccnc12	755621462	UQZIIVWJBFTCTB-UHFFFAOYSA-N	308.725	1.687	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1ccc(F)cc1N(C)C	759192940	ZTQRFZDAWSCYSE-UHFFFAOYSA-N	320.368	1.354	50	20	DDGD	
CCN(CCNC(=O)NNC(=O)C1CCC1)CCC(F)(F)F	755852308	KXPNKSFKXSWDPJ-UHFFFAOYSA-N	324.347	1.391	50	20	DDGD	
CC(C)c1ccc2c(c1)C(=NNC(=O)[C@@H]1CCC(=O)N1)CCO2	863145349	NESSXWJIALVVPE-AWEZNQCLSA-N	315.373	1.691	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@@H]1CCCN1C1CC1	862288495	MYGHHPSKFWRQGW-HNNXBMFYSA-N	317.389	1.913	50	20	DDGD	
C[C@@H](C(=O)NNc1nccc(N2CCOCC2)n1)C1CCCC1	762851759	FONQOUYNYXTVST-GFCCVEGCSA-N	319.409	1.583	50	20	DDGD	
O=C(Nc1nc2c(s1)CCCCC2)c1ccc(B(O)O)cc1	863871221	DUXXSQRRYUBQHJ-UHFFFAOYSA-N	316.191	1.344	50	20	DDGD	
C/C(=C/C1CCC(C)CC1)C(=O)NNC(=O)C(=O)NC1CC1	864600686	LKIDDCAJEXVLFU-LUAWRHEFSA-N	307.394	1.185	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc(Cn2ccnn2)cc1	863867271	UGNABEPAIZCQCY-UHFFFAOYSA-N	315.377	1.524	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccccc1-c1nnc(C)o1	765127854	XOBRRKDXEWRMPO-UHFFFAOYSA-N	317.349	1.789	50	20	DDGD	
CCC(=O)c1ccc(NC(=O)C(=O)NNC(=O)C2CCC2)cc1	861806034	TXHDBYNVBJEZJA-UHFFFAOYSA-N	317.345	1.165	50	20	DDGD	
O=C1CCc2cc(F)c(NC(=O)NNC(=O)C3CC3)cc2N1	764613899	FTHQXNOUSUSWLL-UHFFFAOYSA-N	306.297	1.273	50	20	DDGD	
COCC(=O)NN=C(C)c1cnn(-c2ccc(C#N)cc2)c1C	761821336	GDXDIEVWEMKODT-UHFFFAOYSA-N	311.345	1.539	50	20	DDGD	
CNC(=O)NNC(=O)C(F)(F)c1cc(Cl)ccc1OC	930587037	SFQVWKJZBGZXPF-UHFFFAOYSA-N	307.684	1.401	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)Cn2nccc2C)cc1	862122370	DRTMSNZGXJLRTL-UHFFFAOYSA-N	302.334	1.050	50	20	DDGD	
C[C@@H](C(=O)NNc1ncc(F)cn1)n1ccc(C(F)(F)F)n1	867043961	QPJOSZBBJRBWLH-LURJTMIESA-N	318.234	1.535	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cc(Cl)ccc1Cl	763438355	RXFXMGPYVQZPLB-UHFFFAOYSA-N	304.133	1.489	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CCSC1	761805995	ZPZWGJVBXYLCRM-ZJUUUORDSA-N	312.366	1.494	50	20	DDGD	
C[C@]1(CCC(=O)NNCC(F)(F)C(F)(F)F)CCC(=O)N1	863098097	ZAKBLTMBLFFETP-SECBINFHSA-N	317.258	1.254	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(C#N)c(Cl)c1)[C@H]1CCC(=O)N1	860778585	OTRDVYSNVRLOPQ-PRHODGIISA-N	306.753	1.569	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2ccc(OCC(F)F)cc2)N1	863149415	ZCCXTPXTDSZLPV-NSHDSACASA-N	311.288	1.059	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1CCC(=O)[C@@H](C)C1	764201427	RYBWXXOZWOQQOD-WDEREUQCSA-N	304.346	1.462	50	20	DDGD	
Cc1cccc2c1[C@H](C)CC2=NNC(=O)[C@@H]1CCS(=O)(=O)C1	766694881	VNMHLRDPEZYDNU-VXGBXAGGSA-N	320.414	1.757	50	20	DDGD	
C[C@@H](NNC(=O)c1cnn(C)c1-n1cccc1)C(F)(F)F	862307609	ZAZSJWVCLLUZEK-MRVPVSSYSA-N	301.272	1.396	50	20	DDGD	
Cc1cc(=NNC(=O)CC(C)(C)NC(=O)OC(C)(C)C)cc[nH]1	862511543	TXHCXVRHSXORKL-UHFFFAOYSA-N	322.409	1.948	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21	875674634	IMGULOSDARBRKY-CYBMUJFWSA-N	302.334	1.848	50	20	DDGD	
CC[C@H]1COCCN1CCNC(=O)NCCSSC	875569853	RRRDJCJBRZRBDD-NSHDSACASA-N	307.485	1.408	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccnc2)nn1[C@@H](C)C1CC1	777269520	BMAFNLHUPYXCFE-NSHDSACASA-N	313.361	1.632	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C2CC3(CC3)C2)cn1	874954900	DDTCLHTXSYUJCG-UHFFFAOYSA-N	306.391	1.598	50	20	DDGD	
COc1cccc(C2(NCC(=O)NNC(=O)C(C)(C)C)CC2)c1	775523989	OPDGHTZGIJDYRL-UHFFFAOYSA-N	319.405	1.467	50	20	DDGD	
CCCC1CCN(CC(=O)NNC(=O)c2ccccc2)CC1	1116328407	NQMWXRIHOGMVRJ-UHFFFAOYSA-N	303.406	1.960	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc(N2CCO[C@H](C)C2)cc1	770349368	KOTMNKYGLAPYTN-GFCCVEGCSA-N	320.393	1.720	50	20	DDGD	
CNC(=O)C1(C(=O)NNC(=S)Nc2cc(C)ccc2C)CC1	873755448	YRKOTGZXTZPZMN-UHFFFAOYSA-N	320.418	1.147	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCOC(C)(C)[C@H]2C)c1	777599431	JOZRZYGMPZODCP-CYBMUJFWSA-N	319.405	1.255	50	20	DDGD	
CC(=O)Nc1ccc(S[C@H](C)C(=O)NN(C)C(N)=O)cc1	778412942	WTYGOHGLXPMKJL-MRVPVSSYSA-N	310.379	1.167	50	20	DDGD	
Cc1cc(NC(=O)CSCC(=O)NNc2ccccn2)no1	777473648	SVIDGGIDBUJOAV-UHFFFAOYSA-N	321.362	1.193	50	20	DDGD	
COc1nc(C)ccc1C(=O)NNc1ncccc1[N+](=O)[O-]	777523884	PTEIDXQBTMGOIG-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
CC(=O)N1CC(C(=O)NNC(=S)Nc2ccc(C)c(C)c2)C1	873763197	QLZRHUTTYBRRQM-UHFFFAOYSA-N	320.418	1.099	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=Cc1cscc1Cl	771878418	CAWVRRFWRHBEFK-UHFFFAOYSA-N	312.738	1.296	50	20	DDGD	
O=C(C[C@H]1COC(=O)C1)NNC(=O)c1nc2ccccc2s1	874914075	KGOUYYZYPCBJHC-MRVPVSSYSA-N	319.342	1.011	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1nc(C2CC2)cs1	1123832766	LXRJPJMLXCRRBT-UHFFFAOYSA-N	310.448	1.930	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCc2c(Cl)cccc21	775646683	MZCKCTOJOKZARJ-NSHDSACASA-N	323.780	1.042	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)NCCc2cccs2)CCO1	776343179	RHAQNCMUENBROV-QWRGUYRKSA-N	311.407	1.436	50	20	DDGD	
Cn1nnnc1-c1ccc(NC(=O)NCC(Cl)Cl)cc1	880173883	PDBNPPUMYSZPPL-UHFFFAOYSA-N	315.164	1.802	50	20	DDGD	
CC(C)(O)C(=O)NN=C1C(=O)Nc2ccc(C(F)(F)F)cc21	785463881	WTHKMCUTDALTGG-UHFFFAOYSA-N	315.251	1.249	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1c(C)cc(Cl)cc1C	885185299	QSLDYUIVENVLPK-UHFFFAOYSA-N	306.771	1.848	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@H]1CC[C@H](C)C1	780787331	VVEBSIBZRVBTNI-AAEUAGOBSA-N	305.378	1.757	50	20	DDGD	
CSCCCCCCNC(=O)NNC(=O)C1CCOCC1	883564400	QDZPHJWWDPHVEM-UHFFFAOYSA-N	317.455	1.667	50	20	DDGD	
O=S(=O)(CCCCl)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1	882189723	RQKIWACENMJTPC-BDAKNGLRSA-N	323.764	1.438	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cccc(CN2CCCC2=O)c1	782549472	ROKOYVMEQSAUSN-UHFFFAOYSA-N	318.377	1.618	50	20	DDGD	
CO[C@@H](C(=O)NNc1ccc(-n2ccnc2)nn1)c1ccccc1	788179506	XBHZPDJNSIEFQM-OAHLLOKOSA-N	324.344	1.493	50	20	DDGD	
C[C@H]1[C@@H](CN2CCn3c(nnc3-c3cn(C)cn3)C2)[C@@H]1Cl	895844001	QOWCSFPLTMDPRB-OPQQBVKSSA-N	306.801	1.368	50	20	DDGD	
Cc1cn2ccc(C(=O)NNC(=S)NC(C)(C)C)cc2n1	899999654	RHBOPIXIPCLMSC-UHFFFAOYSA-N	305.407	1.550	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccc[nH]1)n1ccc2ccccc2c1=O	798153467	SFZJRWSKLIPLQB-NSHDSACASA-N	324.340	1.352	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C(F)(F)c2ccccc2)n1	794086195	RHBKJKYWHRUWPR-UHFFFAOYSA-N	305.284	1.943	50	20	DDGD	
N#CC1=CCN(C(=O)c2cnn(CCO)c2-c2ccccc2)CC1	793754750	HGSDJQKHYPJITE-UHFFFAOYSA-N	322.368	1.838	50	20	DDGD	
N#Cc1cnc(C(=O)NNC(=O)NCC(F)(F)F)c(Cl)c1	798315326	FMOIGBOPQRXMLH-UHFFFAOYSA-N	321.646	1.113	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C(C)(C)C(F)F	792629504	QHQAUWLZEFHBKA-UHFFFAOYSA-N	315.320	1.546	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2n[nH]cc2C)c1	799407499	UUQSUMWWJNLPJO-UHFFFAOYSA-N	302.334	1.175	50	20	DDGD	
COc1ccc(C=NNC(=O)N2CCN(C)CC2)cc1Cl	790175929	JLHYJVRGZRXWAW-UHFFFAOYSA-N	310.785	1.640	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc2nc(S)oc2c1	798305802	HBFUCCNAMVGGPA-UHFFFAOYSA-N	308.388	1.411	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)OCC(=O)NNC(=O)c1ccccc1	796003425	UZQHFJMQUSAUFP-BXUZGUMPSA-N	322.361	1.052	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1cccc(O)c1O	790659188	WJTDXABNBRXAKG-UHFFFAOYSA-N	316.313	1.197	50	20	DDGD	
CC(C)[C@@H](C=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1	794487606	AHTDQVJGKGBIBC-HUUCEWRRSA-N	322.430	1.963	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cnn(-c2cccnc2)c1	791259486	SEWLJPZNUPQVTB-UHFFFAOYSA-N	320.316	1.067	50	20	DDGD	
Cc1c[nH]nc1C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	799409076	LLMQBIBZXYSFGV-UHFFFAOYSA-N	310.317	1.183	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H](C)c1ccc(OC(C)C)cc1	1318942031	MLSIRTLYQWFJQQ-JTQLQIEISA-N	323.349	1.038	50	20	DDGD	
Cc1ncncc1C(=O)NNC(=O)c1cccc2cccnc12	1318203421	VDLMCRLLFQZHQO-UHFFFAOYSA-N	307.313	1.408	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)Cn2cnc3ccccc32)[nH]1	1319654628	JWEJPGAGPSHACO-UHFFFAOYSA-N	311.345	1.442	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2nccc(Cl)c2F)nc1	1320622480	KDWGZRCGWCPDCS-UHFFFAOYSA-N	324.699	1.813	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1Cc2ccccc2C2(CCC2)C1	1326503859	KHEGSALKGALVHK-UHFFFAOYSA-N	315.417	1.727	50	20	DDGD	
COCCn1ccc(C(=O)NNc2ccc(C(C)(C)C)nn2)n1	1320712182	XNPQJDHPIRGKBZ-UHFFFAOYSA-N	318.381	1.374	50	20	DDGD	
O=C(CSc1nc2ccccc2[nH]1)NNc1ncncc1F	1324358498	BADLGODGUOCOTP-UHFFFAOYSA-N	318.337	1.727	50	20	DDGD	
CCOC1CC(CC(=O)NNC(=O)c2n[nH]c3c2CCCC3)C1	1320687726	UVKLRXTZYUVPPC-UHFFFAOYSA-N	320.393	1.255	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)Nc1ccc(C(F)F)cc1	1337907491	OOXUHZLPOPPYNI-UHFFFAOYSA-N	311.288	1.510	50	20	DDGD	
CC[C@H]1C[C@@H](CC(=O)NNc2nncc(N)c2Cl)CCO1	1254438441	JLXGYBDPJQGOBG-IUCAKERBSA-N	313.789	1.751	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1c(C)cccc1F	1338525701	GYGRRAHFZICRKO-UHFFFAOYSA-N	305.309	1.024	50	20	DDGD	
CCOc1ccc(CC(=O)NNc2nncc(N)c2Cl)cc1	1333586320	FQUPINMMZJPVDS-UHFFFAOYSA-N	321.768	1.797	50	20	DDGD	
O=C(NNc1cncc(Br)c1)[C@]1(F)CCOC1	1261085080	RTKUKQNTMPOJRD-JTQLQIEISA-N	304.119	1.416	50	20	DDGD	
COc1ncc(C(=O)OC[C@@]2(C)C[C@@H]2Br)cn1	1346559317	YKWMLCNIIONYBI-GZMMTYOYSA-N	301.140	1.816	50	20	DDGD	
N#C[C@@]1(C(=O)NNc2nncc(N)c2Cl)CC12CCCC2	1347825930	PGVPLYXJBHNJLW-CYBMUJFWSA-N	306.757	1.629	50	20	DDGD	
CS[C@@H]1CC[C@H](NC(=O)NNc2nncc(N)c2Cl)C1	1340525738	CVTKCFLPUZXUMV-NKWVEPMBSA-N	316.818	1.622	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)c1ocnc1C1CC1	1347208522	BDMBTRKIGPQMAS-UHFFFAOYSA-N	311.301	1.958	50	20	DDGD	
COCCN(C)NC(=O)c1cc(C)ccc1NC(=O)N(C)C	1261293185	DECAXGDDMHTTLI-UHFFFAOYSA-N	308.382	1.312	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1cc(C)cc(C)c1	1340344674	IHIPRFNLYUGSRF-UHFFFAOYSA-N	301.346	1.193	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@]2(C)CC(C)=NO2)cc1F	1358288630	UUDCUHCDQBZXPW-AWEZNQCLSA-N	309.297	1.610	50	20	DDGD	
O=C(O)CSCCNC(=O)NNc1ccc(Cl)cn1	1608767877	YFLYZLFQPQLACO-UHFFFAOYSA-N	304.759	1.179	50	20	DDGD	
C[C@](C#N)(CC(=O)O)C(=O)NNC(=O)c1ccccc1Cl	1602782096	POCINRKJGSBUAP-CYBMUJFWSA-N	309.709	1.106	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNc1ccccc1C(=O)O	1601389367	HEDPMXAQIQIFBC-UHFFFAOYSA-N	310.313	1.878	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)Nc1cc(C(=O)O)cs1	1601562205	WWODUINAWQVGLM-UHFFFAOYSA-N	318.318	1.638	50	20	DDGD	
O=C(Cn1ccccc1=O)NNc1ccc(C(=O)O)c(Cl)c1	1608380486	KFMYZSMFBJSBSZ-UHFFFAOYSA-N	321.720	1.343	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1cccc(-c2nn[nH]n2)c1)CC(C)C	1609309833	YRUVSSIRXRVKJN-CYBMUJFWSA-N	316.365	1.643	50	20	DDGD	
O=C(O)CCCCC(=O)NNC(=O)c1cc2ccccc2o1	1601982356	STFWQCAIPKSLAY-UHFFFAOYSA-N	304.302	1.839	50	20	DDGD	
CO[C@@](C)(C(=O)O)C(=O)NNc1ccnc(C(F)(F)F)c1	1604464165	LFSNTUFPTMUMOQ-SNVBAGLBSA-N	307.228	1.033	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)OCC(F)(F)F)cc1C(=O)O	1600341332	YCPHGXPHCNJCKV-UHFFFAOYSA-N	320.223	1.627	50	20	DDGD	
Cc1sc(C(=O)O)cc1NC(=O)NNC(=O)c1cnccn1	1600871640	AFORYXFYQIRUMA-UHFFFAOYSA-N	321.318	1.011	50	20	DDGD	
CN(NC(=O)C(=O)Nc1ccsc1C(=O)O)c1ccccc1	1610126488	RRKZMOVGOYLWMA-UHFFFAOYSA-N	319.342	1.552	50	20	DDGD	
N#CC1(CNC(=O)NNc2ccc(F)c(C(=O)O)c2)CCC1	1610620178	YPAUQAVRYCNTQQ-UHFFFAOYSA-N	306.297	1.844	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1ccc(F)cc1	1549315378	MXJUZFIAWATJPC-GOEBONIOSA-N	319.380	1.919	50	20	DDGD	
CC[C@](C)(C=NNC(=O)[C@H]1CCCO[C@@H]1c1nccn1C)OC	1549315428	LJABJLCYNLXLRT-HEHGZKQESA-N	322.409	1.805	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2[nH]c(C)c(C(=O)O)c2C)c(C)o1	1610436988	QFWNLWAHVGSQIJ-UHFFFAOYSA-N	319.317	1.614	50	20	DDGD	
CCC1(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)CCOCC1	1549321401	SIBOVGMGHJFLIT-UONOGXRCSA-N	309.410	1.158	50	20	DDGD	
COC[C@H](C)C(C)=NNC(=O)[C@H]1CCCO[C@@H]1c1nccn1C	1549310029	KRPLVSZSWOXAQW-UBHSHLNASA-N	322.409	1.662	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C(C)(C)n2cc(N)cn2)cc1	1578252913	UWISLUAZFMFOMZ-UHFFFAOYSA-N	315.377	1.224	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(F)cc2)ncc1-c1nn[nH]n1	1580871553	WSDOZLYOWZZLHB-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
CC(C)(O)C1CCC(C(=O)NNc2ncccc2C(=O)O)CC1	1588796269	ZNCMJKMPAXJBSX-UHFFFAOYSA-N	321.377	1.800	50	20	DDGD	
CN(C)c1cccnc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1591035122	UPILFDOWPZIUJW-UHFFFAOYSA-N	324.348	1.085	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNc1ccc(F)c(C(=O)O)c1	1596510944	VPSOUNKQXXUKTH-UHFFFAOYSA-N	312.297	1.556	50	20	DDGD	
O=C(Cc1cscn1)NNc1ccc(-c2nn[nH]n2)cc1	1592933142	BTPUXKDVEPPIAO-UHFFFAOYSA-N	301.335	1.009	50	20	DDGD	
CO[C@@]1(C(=O)O)CCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C1	1599069305	TVWFIICWHWJJEG-NNSJBKGDSA-N	317.301	1.635	50	20	DDGD	
Cc1[nH]c(C=O)cc1C(=O)NNc1cccc(F)c1C(=O)O	1599960659	VKALPBZQKHHZRG-UHFFFAOYSA-N	305.265	1.730	50	20	DDGD	
Cc1cc(C=O)c(O)c(C(=O)NNc2ncccc2C(=O)O)c1	1594300905	ZHWIHYIKTKZCIQ-UHFFFAOYSA-N	315.285	1.363	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@H](C(=O)O)C2CC2)c2ccccc21	1594530185	CVNVXIVUELEBEQ-CYBMUJFWSA-N	315.329	1.050	50	20	DDGD	
Cc1[nH]c(C(=O)NNc2nncc(N)c2Cl)c(C)c1C(=O)O	1599952974	CUJNRXHDGDRYBX-UHFFFAOYSA-N	324.728	1.112	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NN=Cc1cc(Cl)ncc1C(=O)O	1776101852	APUHZDWRDUZXFB-SCZZXKLOSA-N	311.725	1.308	50	20	DDGD	
COc1cc(C(=O)O)ccc1/C=C(/C#N)S(=O)(=O)N(C)C	1777269951	NZVNHQPLIFQVLM-WDZFZDKYSA-N	310.331	1.149	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1	14569456	QGNMIAFNZWEEKU-UHFFFAOYSA-N	318.402	1.330	50	20	DDGD	
O=C(NNC(=O)c1c(O)cccc1F)c1cccc([N+](=O)[O-])c1	163506593	UAJNKFJUNLCAHA-UHFFFAOYSA-N	319.248	1.514	50	20	DDGD	
Nc1ccc(C(=O)NNc2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-]	151492807	AKHUSUWJUCTNEB-UHFFFAOYSA-N	317.261	1.842	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@H]1CCn2cncc2C1	152427294	PRABQWUXQWMIMY-LBPRGKRZSA-N	324.344	1.639	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CCCCO2)c(C)c1	154700258	SAMAMAAQRDSATH-AWEZNQCLSA-N	305.378	1.432	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCc2cscn2)n1	159397855	QLRFXBGSSWVVTQ-UHFFFAOYSA-N	308.367	1.119	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@H](Oc2ccc(B(O)O)cc2)C1	1857776804	NEPCRPQSPFIEJT-AWEZNQCLSA-N	321.182	1.145	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCCc2nccs2)cc1	51757767	WFAXGCJBHPIHGH-UHFFFAOYSA-N	315.358	1.201	50	20	DDGD	
O=C(NCCCSc1nccs1)NNc1cccnn1	177852474	SFFNLCSMPSBHLQ-UHFFFAOYSA-N	310.408	1.742	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCCc1nccs1	51339413	AJBOHACNAGYDTD-UHFFFAOYSA-N	322.365	1.398	50	20	DDGD	
CCCOc1ccc(/C=C/C(=O)NNC(=O)[C@@H]2CCCO2)cc1	58248642	GJCOQZIPKRZYID-VSGCLNPGSA-N	318.373	1.815	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C(=O)c2ccc(Cl)cc2)n1	174490232	GXEVTTPCUFKHAM-UHFFFAOYSA-N	320.736	1.773	50	20	DDGD	
CCCNC(=O)NNC(=S)NCCSc1ccccc1	66012273	AWIBTYNFUPFNCQ-UHFFFAOYSA-N	312.464	1.867	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCc1ccc2ccccc2c1	171781426	LGOCAXXAYIQGGO-UHFFFAOYSA-N	315.373	1.749	50	20	DDGD	
Cc1nc2n(n1)C[C@@H](NC(=O)NNc1ccccc1Cl)CC2	171086426	XZSXEBWGLNJTFV-JTQLQIEISA-N	320.784	1.881	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)CNc1ccccc1	113414397	QMFYYHLVMHITTG-HIFRSBDPSA-N	319.405	1.841	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2n[nH]c3ccccc23)cc1	61474858	NKFOGKAFKCPPLF-UHFFFAOYSA-N	305.297	1.509	50	20	DDGD	
C[C@H](Oc1cccnc1)C(=O)NNC(=O)c1ccc(C#N)cc1	117773214	YFVNHLSZPPYEAW-NSHDSACASA-N	310.313	1.182	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	119772657	BUSBFXVBMVPYAV-INIZCTEOSA-N	303.362	1.409	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H](C)Oc2cccnc2)cc1	117571791	KKXKTPRIWVYOTA-LBPRGKRZSA-N	313.357	1.873	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@H](c2ccccc2)C2CC2)cn1	172222877	SAAXTPHZSQGWJO-CQSZACIVSA-N	313.361	1.515	50	20	DDGD	
COC[C@@H](CCO)NS(=O)(=O)c1ccc(CCl)cc1	306040965	NFEUZDAHMSGKCI-LLVKDONJSA-N	307.799	1.101	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cn1	22415148	USXRGAAWPSIWKE-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
C#CCN1CCC(C(=O)NNc2cc(F)c(F)cc2F)CC1	172087352	YXDDDHZMTCTUOS-UHFFFAOYSA-N	311.307	1.892	50	20	DDGD	
NC(=O)NCCCCC(=O)NNC(=O)c1cc2ccccc2o1	177725756	KIBAZBNBSULUPS-UHFFFAOYSA-N	318.333	1.032	50	20	DDGD	
O=C(NNc1cccnn1)c1nn(-c2ccccc2)c2c1CCC2	77033158	CAKFIWRCYDUHFP-UHFFFAOYSA-N	320.356	1.908	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccn(Cc2ccncc2)n1	185708244	JCDJWFVLKQZCIH-NSHDSACASA-N	316.365	1.525	50	20	DDGD	
Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NN(C)C(N)=O	182665691	YWHFUZPWEAWCOR-LURJTMIESA-N	321.303	1.207	50	20	DDGD	
N#Cc1ccc(NNC(=O)CCCNC(=O)C2CC2)cc1Cl	182337593	MGIVUZCIIGJTCN-UHFFFAOYSA-N	320.780	1.961	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccnn1)c1nc(C(C)(C)C)no1	74897805	VBALCCOTPQBQPG-MRVPVSSYSA-N	305.342	1.544	50	20	DDGD	
C[C@H](c1ccccc1)N1C[C@@H](C(=O)NNC(=O)C2CC2)CC1=O	78304284	LFCQBQKJDXKROQ-RISCZKNCSA-N	315.373	1.154	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccc(Cl)nc2)c1	77248457	HQGIFUBUTQKQIM-UHFFFAOYSA-N	300.705	1.681	50	20	DDGD	
CCC(CC)n1nc(C)cc1C(=O)NNC(=O)Cc1cc[nH]n1	186081720	NIENIFKGKHUPNZ-UHFFFAOYSA-N	318.381	1.279	50	20	DDGD	
C[C@H](CC(=O)NNc1ccnc(F)c1)NC(=O)c1ccccc1	182531825	VOEFXRYRIQJYLH-LLVKDONJSA-N	316.336	1.872	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2ccc(F)nc2)cc1	74512481	TZICOYGGVYITEE-UHFFFAOYSA-N	317.320	1.623	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cccc2nn[nH]c12	187841988	VQWREMMVSYCNSU-UHFFFAOYSA-N	311.301	1.041	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(Cl)c(OC)cc1OC	48474566	AQBJXLKKQXSEOS-UHFFFAOYSA-N	303.702	1.750	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)C(=O)Nc1ccc(F)cn1	193872672	XTPXINZXNWDUQU-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
CC(C)(Oc1ccc(C#N)cc1)C(=O)NNC(=O)c1ccncc1	130743910	NDAPYMRPYGUBQO-UHFFFAOYSA-N	324.340	1.572	50	20	DDGD	
CO[C@@]1(C)C[C@@H](NC(=O)NNC(=O)c2ccccc2)C1(C)C	80604616	XZEZIEGZOBWJTL-WBMJQRKESA-N	305.378	1.834	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)Cc2ccncc2)c1	81026782	MRVFNYMFQFJMJW-UHFFFAOYSA-N	314.301	1.302	50	20	DDGD	
CO[C@@H](C)CC(=O)NNC(=O)c1cc(-c2ccc(C)cc2)n[nH]1	195495307	XCAIOYADWWSTQC-NSHDSACASA-N	316.361	1.571	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)NC2CCCCC2)cc1	194470010	GGPHWIKVXWLJLB-UHFFFAOYSA-N	318.377	1.597	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2ccc(O)c(F)c2)o1	84440987	BGVREDUVEQHLRR-UHFFFAOYSA-N	307.281	1.577	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccc(Oc2ccccc2)o1	190057013	UKMOVEZZVMWIST-UHFFFAOYSA-N	304.302	1.604	50	20	DDGD	
N[C@@H]1CCC[C@H](C(=O)NNc2nc(-c3ccccc3)no2)C1	237900859	GNTSQDMHAMXAFC-NWDGAFQWSA-N	301.350	1.697	50	20	DDGD	
NC1(C(=O)NNc2c(F)cc(F)cc2Br)CC1	237803996	NDUKPYZQZJSQBD-UHFFFAOYSA-N	306.110	1.662	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@@H]1CCc2cc(F)ccc21	98033206	VGSGXZXDYKFWLD-GFCCVEGCSA-N	302.309	1.785	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1nccc2ccccc12	263793891	JIBWRCHMOJKHPI-UHFFFAOYSA-N	302.334	1.215	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1[nH]c2c(c1C)C(=O)CCC2	268987069	CUORYFUTWXLBED-UHFFFAOYSA-N	306.391	1.137	50	20	DDGD	
O=C(NNC(=O)C1(O)CCCC1)c1ccc(Cl)cc1F	267065065	UOVYHEVNJOZHLS-UHFFFAOYSA-N	300.717	1.545	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)CCO1	271848774	HETDTGDMVPCYJL-IJLUTSLNSA-N	324.352	1.556	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNC(=O)CC(C)(C)C)cn1C	273367831	ABHQHIYQKVWMBM-UHFFFAOYSA-N	310.354	1.401	50	20	DDGD	
CCOc1cc(C)ccc1NC(=O)C(=O)NNC(=O)C(C)(C)C	273623897	ABNMVPDIUJYUGO-UHFFFAOYSA-N	321.377	1.526	50	20	DDGD	
COc1ccc2c(c1)[C@@H](C(=O)NNC(=O)NC1CCCC1)CC2	277302536	VMQYXBYFZORLOI-AWEZNQCLSA-N	317.389	1.998	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCC1([C@@H](O)C(C)C)CC1	271798817	KKPDUVSFSOPTJD-AWEZNQCLSA-N	319.405	1.736	50	20	DDGD	
COc1ccc(CNS(=O)(=O)CBr)cc1F	272844743	UNODMTYFKGMVPX-UHFFFAOYSA-N	312.160	1.606	50	20	DDGD	
CCCc1[nH]nc(C(=O)NNc2ncccc2F)c1[N+](=O)[O-]	286149587	YLBMQFBHAOIESI-UHFFFAOYSA-N	308.273	1.561	50	20	DDGD	
O=C(C[C@H]1CCCC(=O)N1)NNc1cc(F)c(F)cc1F	289682992	ZSXQUBGSPWFWBP-SSDOTTSWSA-N	301.268	1.606	50	20	DDGD	
CC(=O)N1CCC[C@H]1C(=O)NNC(=O)Nc1cccc(Cl)c1	283746003	JLAIJVKHOHLXAM-LBPRGKRZSA-N	324.768	1.504	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)NNc1cccc(F)c1[N+](=O)[O-]	286902190	BSSSJXYSBAHEFM-LBPRGKRZSA-N	324.312	1.578	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NNc1ccccc1[N+](=O)[O-]	285305290	YQIRWBCEANLZHW-CYBMUJFWSA-N	306.322	1.439	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cccc(Cn2nc(C)cc2C)c1	286404998	PMFGEVPFWUKLGQ-UHFFFAOYSA-N	316.361	1.891	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1c(C)cc(F)cc1C	282106586	YLDDCSQUISIERP-MRVPVSSYSA-N	302.371	1.798	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	283687707	IICPAAGUAMTZJE-ZDUSSCGKSA-N	301.293	1.669	50	20	DDGD	
Cn1ncc2c1C[C@@H](C(=O)NNc1ccc(F)cc1F)CC2	282952694	ZJOCAGDMIQSOKC-VIFPVBQESA-N	306.316	1.947	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C1(c2cccc(F)c2)CCOCC1	294196808	PHDURCWNAFUFAG-UHFFFAOYSA-N	320.364	1.821	50	20	DDGD	
CNS(=O)(=O)c1csc(C(=O)NCC(Cl)Cl)c1	296978344	FEMBEJGRNMNESS-UHFFFAOYSA-N	317.219	1.190	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCCc2ccccc2Cl)cn1	290401068	FJGQNCAFCARIBC-UHFFFAOYSA-N	320.780	1.857	50	20	DDGD	
O=C(CSC(F)F)NNC(=O)Cn1cnc2ccccc21	294511328	XXUKXVZHDUQJJP-UHFFFAOYSA-N	314.317	1.140	50	20	DDGD	
C#CCOc1ccc(F)cc1NC(=O)NNC(=O)[C@@H]1CCCO1	293175734	DFJVDRIESGNOAF-ZDUSSCGKSA-N	321.308	1.169	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)cccc1[N+](=O)[O-]	291417282	YMOHETGHBKCMKB-UHIISALHSA-N	321.333	1.398	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H]1CCc2ccccc2OC1	801067478	YNCQVQYICDPRKC-CYBMUJFWSA-N	305.378	1.757	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)C2CC(C)(C)C2)C[C@H](C)O1	806339805	JJOHVIFNYHLUNR-RYUDHWBXSA-N	311.426	1.069	50	20	DDGD	
COCCCn1nccc1C=NNC(=O)c1ccc(C)cc1O	802710168	QCDUMNBDEIRPKI-UHFFFAOYSA-N	316.361	1.698	50	20	DDGD	
CCn1cc([C@@H](C)NC(=O)NNC(=O)c2ccccc2)cn1	297383874	GPBJIUDODVVQMS-LLVKDONJSA-N	301.350	1.608	50	20	DDGD	
Cc1[nH]c2ccccc2c1C(=O)NNC(=O)[C@@H]1CCCCO1	295257876	AVNVLRHLFIIKSS-ZDUSSCGKSA-N	301.346	1.806	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c(OC)c1	292721636	HWRGYXOUUCPMRH-CABZTGNLSA-N	323.349	1.424	50	20	DDGD	
COCCCCCNC(=O)NNc1ccc2c(=O)[nH]ccc2c1	806634104	DCUSPNGKRUTGPX-UHFFFAOYSA-N	318.377	1.971	50	20	DDGD	
O=C(NCC1CC1)C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	297114536	ZXOSPUBRWWTGLE-UHFFFAOYSA-N	312.713	1.218	50	20	DDGD	
COCCCN(C)CCNC(=O)NNc1cccc(Cl)n1	292510554	DCYLBQJWRTZMMD-UHFFFAOYSA-N	315.805	1.329	50	20	DDGD	
CC(=O)C1(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)CC1	292699546	QKQXWZFAFUVNHU-VIFPVBQESA-N	308.309	1.110	50	20	DDGD	
O=C(NNC(=O)c1cc(CN2CCCC2)on1)c1ccccc1	291021903	WEXXTXOHVUNRGD-UHFFFAOYSA-N	314.345	1.345	50	20	DDGD	
CC(F)(F)c1ccc(C(=O)NNC(=O)N2CCOCC2)cc1	292272576	WXWKLCHWHKQTMI-UHFFFAOYSA-N	313.304	1.485	50	20	DDGD	
C[C@H](NS(=O)(=O)CBr)c1ccc([N+](=O)[O-])cc1	296996020	JGVTYIWWQFYZPI-ZETCQYMHSA-N	323.168	1.928	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)Cc1ccncc1)C1CCC1	296643420	DOHFRKBKFDXUOB-UHFFFAOYSA-N	304.394	1.781	50	20	DDGD	
O=C(c1ccccc1)c1nc[nH]c1C(=O)NNc1ccccn1	807195675	KQKIDNJDEXBMHK-UHFFFAOYSA-N	307.313	1.793	50	20	DDGD	
CO[C@H](CC(C)C)CS(=O)(=O)NNC(=O)NC1CCCC1	817355440	OOERSNIFVFJZLM-GFCCVEGCSA-N	321.443	1.124	50	20	DDGD	
C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)C(C)(F)F	815490125	KZNFBRZOZMHYFQ-VIFPVBQESA-N	314.288	1.282	50	20	DDGD	
COc1cc(Cl)cc(C(=O)NNC(=O)Cc2cccnc2)c1	815410469	DUCCSFSCKIQBPO-UHFFFAOYSA-N	319.748	1.747	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(O)ccc2Cl)nc1	810754631	CBNRFNBTLAKERR-UHFFFAOYSA-N	321.720	1.984	50	20	DDGD	
Cc1nnsc1C=NNC(=O)c1cccc(S(C)(=O)=O)c1	814217996	JRAAFIDLBVXIST-UHFFFAOYSA-N	324.387	1.014	50	20	DDGD	
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NNc1nc[nH]n1	816631977	NXBYBRIBIOHDKM-CYBMUJFWSA-N	312.333	1.212	50	20	DDGD	
CN(C)CC(=O)NN=C(C[C@@H]1CCCO1)c1ccc(F)cc1	811640792	AFCQCRGLCOPFQR-AWEZNQCLSA-N	307.369	1.777	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1scnc1C(F)(F)F	816824057	NWZLOKXNGAKKNF-UHFFFAOYSA-N	318.280	1.575	50	20	DDGD	
Cc1nc(SCC(=O)NNC(=O)c2cccs2)[nH]c1C	814778814	XGJZGCIGOMXTAG-UHFFFAOYSA-N	310.404	1.641	50	20	DDGD	
CC(=O)NNC(=O)c1nn(-c2cc(C)ccc2F)c2c1CCC2	817508881	AQSDPSIIIZVQLP-UHFFFAOYSA-N	316.336	1.589	50	20	DDGD	
C[C@H]1CN(c2ccc(C(=O)NN(C)C3CC3)cn2)C[C@H](C)O1	819645198	BCGDYICIUSLNSK-RYUDHWBXSA-N	304.394	1.434	50	20	DDGD	
CCC(CC)CC(=O)NNC(=O)CCNC(=O)OC(C)(C)C	495393114	KYOMATFUJVJWOT-UHFFFAOYSA-N	315.414	1.875	50	20	DDGD	
C#C[C@H](C)NC(=O)NNC(=O)COc1cc(C)ccc1C(C)C	820446765	OTVRUDTVAOHNIC-ZDUSSCGKSA-N	317.389	1.849	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F	727103736	TVMWQQCFFRYWIR-MRVPVSSYSA-N	319.283	1.823	50	20	DDGD	
CCNC(=O)NNC(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1	822781857	KPPRSKBGXDFDQL-AWEZNQCLSA-N	324.768	1.573	50	20	DDGD	
COC(=O)C1(CNC(=O)/C(C#N)=C/c2cnn(C)c2)CCCC1	826741013	QUMZNWURYZXMML-NTUHNPAUSA-N	316.361	1.177	50	20	DDGD	
O=C(/C=C/C1CCCC1)NNC(=O)CNC(=O)c1cccs1	493422392	QMRJOZXECWYLSZ-BQYQJAHWSA-N	321.402	1.372	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)NNc1cccnn1	495303091	ZFMBYFLRSKVYMK-QWRGUYRKSA-N	321.381	1.613	50	20	DDGD	
COc1ccc(C=NNC(=O)CNC(=O)OC(C)(C)C)cc1	494726537	PFRATGCDTFEZSW-UHFFFAOYSA-N	307.350	1.670	50	20	DDGD	
CCCCc1ccc(NC(=O)C(=O)NNC(=O)OCC)cc1	495447199	DNMOKTBSOVCVCR-UHFFFAOYSA-N	307.350	1.745	50	20	DDGD	
Cc1ccc(C(=O)C(=O)NNc2nc(-c3cccnc3)no2)cc1	728074759	JHJLUCHACJNNRH-UHFFFAOYSA-N	323.312	1.766	50	20	DDGD	
CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(B(O)O)c(F)c1	584949291	LSZJSOUQACXWEJ-ABAIWWIYSA-N	307.174	1.546	50	20	DDGD	
CCc1c(C(=O)NN(C)[C@H](C)CO)cnn1-c1ccccc1C	823934414	GDDZYSWLRJYJCW-CYBMUJFWSA-N	316.405	1.701	50	20	DDGD	
O=C(NNc1ccc(-n2cccn2)nn1)N[C@@H]1CCC[C@@H]2C[C@@H]21	828352981	HNQCWYSMTBPUFT-GRYCIOLGSA-N	313.365	1.477	50	20	DDGD	
N=C(O)OCc1cn([C@]2(Cl)C[C@@H]2CCBr)nn1	900570167	WAFUYOADQRAOEV-IMTBSYHQSA-N	323.578	1.984	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CC(C)C)N(C)C(=O)OC(C)(C)C	820709236	ACVFCODOUXOGQN-NSHDSACASA-N	315.414	1.825	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H]2Br)C[C@]2(CCOC2)O1	907918214	MDEQPIWNYGYIOB-DNIRFERGSA-N	318.211	1.566	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)NCc2ccco2)C[C@@H]1Br	906416836	HGESGGHCBSGKHY-GZMMTYOYSA-N	316.155	1.284	50	20	DDGD	
CC[C@@H]1C[C@H](Cc2nc(-c3ccc(B(O)O)cc3)no2)CCO1	585053406	FWRIYHJWOSPDJV-BXUZGUMPSA-N	316.166	1.164	50	20	DDGD	
OB(O)[C@H]1CCN(Cc2ccc(OC(F)F)c(Cl)c2)C1	585077453	VICZUEMHVADHJO-VIFPVBQESA-N	305.517	1.990	50	20	DDGD	
CCn1cc([C@@H](C)NC(=O)NNc2nc(C)cc(C)n2)cn1	836645078	SOFJNLBMKZVELC-LLVKDONJSA-N	303.370	1.697	50	20	DDGD	
CC(C)O[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2F)C1	838747371	KNYHELAOJHEBOJ-PHIMTYICSA-N	309.341	1.726	50	20	DDGD	
CCO[C@@H](CCNC(=O)NNC(=O)[C@H]1CCCCO1)C(C)C	836337837	WURPTZSXLALGIR-QWHCGFSZSA-N	315.414	1.337	50	20	DDGD	
C[C@@]1(C(=O)Nc2cccc(-c3nn[nH]n3)c2)C[C@@H]1Br	905543695	MSJCKFMGSQROTB-JOYOIKCWSA-N	322.166	1.979	50	20	DDGD	
C[C@@H]1CN(Cc2ccccc2)CCC1=NNC(=O)c1ncon1	901289425	GWXKEUDNIMRRCF-GFCCVEGCSA-N	313.361	1.697	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1nccnc1C(C)C)C(C)(C)C	830610313	ZNWZMKJXJSCSGM-GFCCVEGCSA-N	307.398	1.594	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC2(C(=O)O)CCCC2)o1	832911624	HWCSDJATNPUCEI-UHFFFAOYSA-N	309.322	1.177	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NNC(=O)C2CCC2)C1	732142343	XDXVCWILBLUKOT-WCQYABFASA-N	309.410	1.219	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCn2cnnc2CC)cc1	838500968	LOVYBQXCNTXBEG-UHFFFAOYSA-N	318.381	1.566	50	20	DDGD	
CCO[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)Cc1ccncc1	838727029	OROTXVPNJBBOSO-ZIAGYGMSSA-N	320.393	1.302	50	20	DDGD	
CCO[C@H]1C[C@@H](NCc2ccc(B(O)O)o2)C12CCCCC2	585029711	RSOKGSJSJLUIOB-KGLIPLIRSA-N	307.199	1.177	50	20	DDGD	
O=C(C1c2ccccc2Oc2ccccc21)N1CC[C@@H](B(O)O)C1	585067360	WFDLQMBSZBNRMA-GFCCVEGCSA-N	323.157	2.000	50	20	DDGD	
C[C@H]1CC[C@@H](C)CC1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	834944049	JUFRZAHLAWNMBQ-OUAUKWLOSA-N	301.412	1.285	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccccc2S(C)(=O)=O)c(O)c1	732304271	UWSYXFAVKUIFSZ-UHFFFAOYSA-N	320.370	1.861	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](C)COc2ccccc2)nn1	730064331	AYHMMHVHTXHRQO-GFCCVEGCSA-N	301.350	1.879	50	20	DDGD	
CC(C)(C)OC(=O)[C@H](C(=O)NNc1cnccn1)C(C)(C)C	832395226	HOQPJDNGZKMKQN-NSHDSACASA-N	308.382	1.924	50	20	DDGD	
CS(=O)(=O)c1cccc(COC(=O)/C(C#N)=C/C2CC2)c1	837686970	IKBJHBNXRFSATF-NTUHNPAUSA-N	305.355	1.993	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1CCO[C@@H](c2cccs2)C1	585044606	NYQUYRYJWFFMKX-UKRRQHHQSA-N	317.219	1.438	50	20	DDGD	
O=C1CCCc2cc(C(=O)NNC(=O)c3ccccn3)ccc2N1	915059256	HVHKAYKRWZZFGM-UHFFFAOYSA-N	324.340	1.431	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)nc(C)n1	736718522	JHLFWFJJVYNHKP-GFCCVEGCSA-N	305.382	1.041	50	20	DDGD	
Cn1cccc1C(=O)NN=Cc1ccc(S(C)(=O)=O)cc1	918152086	GSQHNUZXOPIILV-UHFFFAOYSA-N	305.359	1.193	50	20	DDGD	
CN(C)CCOc1ccc(C=NNC(=O)[C@@H]2CCCCO2)cc1	834988155	HDTSNTJLBCIHBZ-INIZCTEOSA-N	319.405	1.646	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1CCOc2ccccc21	916364465	MQZUYOSFBVNRSJ-CYBMUJFWSA-N	317.389	1.258	50	20	DDGD	
Cc1nn(C)c(C)c1[C@H](C)C(=O)NNc1ncc(F)cc1F	837205538	AOJRFGVMFRUIIF-ZETCQYMHSA-N	309.320	1.957	50	20	DDGD	
COc1cc(C(=O)NN=C(C)[C@@H]2CCOC2)cc(OC)c1OC	741757816	VGRHZQOLGWELTB-LLVKDONJSA-N	322.361	1.855	50	20	DDGD	
COc1ccc2cc(C(=O)NNc3nnc(C)c(O)n3)[nH]c2c1	915258902	WRMBFIICTWQLQT-UHFFFAOYSA-N	314.305	1.132	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)n1	743812980	IERXTEHBPFGQQF-UHFFFAOYSA-N	316.273	1.079	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)CC(F)(F)F)c1	918363708	DETOLJNVPVLNAY-VIFPVBQESA-N	304.268	1.862	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NNC(=S)NC(C)(C)C	917571793	FQAVCWFXWMAYAH-NSHDSACASA-N	300.472	1.402	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1cnc2cnccn12	746369380	XMIRLDXIKUONPG-ZDUSSCGKSA-N	314.393	1.301	50	20	DDGD	
CO[C@@H](C(=O)NNc1ncc(Br)cn1)C1CC1	848322137	QYIAZWHYHJHCJA-MRVPVSSYSA-N	301.144	1.107	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(-c2cncnc2)cc1F	910160872	PFLQSJJJUPELNP-SNVBAGLBSA-N	304.325	1.240	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@H](C)CSc1ccc(F)cc1	910168031	YZSPVGKRYXQLCW-WDEREUQCSA-N	300.399	1.898	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=S)NCC(C)C)c1	916113402	NFKWGJXSERNTSF-UHFFFAOYSA-N	309.435	1.834	50	20	DDGD	
CN(C)C(=O)NN=Cc1c[nH]nc1-c1ccc2c(c1)OCO2	745602148	MJIKBNQUZFTMKH-UHFFFAOYSA-N	301.306	1.411	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@H](C#N)CC)cc1	845076027	JOMCVMAVRHEGFD-JTQLQIEISA-N	306.391	1.953	50	20	DDGD	
CSc1ccc(NC(=O)NNC(=O)CCCN)cc1Cl	841137830	ZJFPZRDWLGOECL-UHFFFAOYSA-N	316.814	1.954	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)C(C)(C)C)sc1C(=O)O	917744325	YJNGJQQCHSHCKK-UHFFFAOYSA-N	320.392	1.110	50	20	DDGD	
CCOCc1cc(C=NNC(=O)N2CCOCC2)ccc1OC	747613925	DAMZNLUXTFFCSN-UHFFFAOYSA-N	321.377	1.607	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)N(C)C)c2ccccc12	745833828	FQXUYHZAPVZVRD-UHFFFAOYSA-N	323.374	1.313	50	20	DDGD	
O=C(NNc1cc(Cl)cc(Cl)c1)N[C@H]1[C@@H]2CNC[C@@H]21	841999423	BLYXSEXWEUBVQX-URLYPYJESA-N	301.177	1.837	50	20	DDGD	
CO[C@@H](CC(=O)NNc1nc2ccccc2[nH]1)C(F)(F)F	846636955	SURHUSCNIYSHCF-VIFPVBQESA-N	302.256	1.973	50	20	DDGD	
COc1ccc(OCC(=O)NN=C[C@H](OC)[C@H]2CCOC2)cc1	841607746	YDWJFZVQNAWSRY-WFASDCNBSA-N	322.361	1.228	50	20	DDGD	
O=C(NN=Cc1cccc(Br)c1)N1CCOCC1	745603152	UXNWHOYOGFXGAA-UHFFFAOYSA-N	312.167	1.825	50	20	DDGD	
Cc1nc(O)c(C(=O)NNC(=O)N(C)C)cc1-c1ccccc1	749934437	OTIQZRLQIYUJFJ-UHFFFAOYSA-N	314.345	1.679	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CO[C@@H]2CCCC[C@@H]2C)n1	746622648	BIFVIMJSPKNHCN-CMPLNLGQSA-N	308.382	1.832	50	20	DDGD	
CCN(CC)c1ccc(CNC(=O)NNC(=O)C(C)C)cn1	916390042	KCPLNDKNQAREOG-UHFFFAOYSA-N	307.398	1.414	50	20	DDGD	
CN(C)[C@H](C(=O)NNC(=O)CC1CC1)c1ccc(Cl)cc1	848144589	XOLVJTBRBYVFOW-AWEZNQCLSA-N	309.797	1.890	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=CC(C)(C)NC(=O)OC(C)(C)C	842560603	NARRPBKWRTWLGF-GHMZBOCLSA-N	313.398	1.817	50	20	DDGD	
COc1ccc(F)cc1S(=O)(=O)NNC(=O)C1CCCC1	842575133	CIXHWEBLYOAYHB-UHFFFAOYSA-N	316.354	1.334	50	20	DDGD	
COc1cccc(F)c1C(C)=NNC(=O)C(=O)N1CCCC1	741810815	RECAUDPBONZTCE-UHFFFAOYSA-N	307.325	1.297	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2cc([N+](=O)[O-])ccc2O)CCN1C	741773513	YOFNWVRUBFTZSI-SECBINFHSA-N	306.322	1.500	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C/C=C/c1ccccc1[N+](=O)[O-]	748259240	HIOVAIMNMPQFBL-RFMNBZHASA-N	321.333	1.762	50	20	DDGD	
Cc1cc(Cl)ccc1OCC(=O)NNc1nccn(C)c1=O	747942886	KZEYMXBAECPHCF-UHFFFAOYSA-N	322.752	1.264	50	20	DDGD	
CC(C)c1cccc(CNC(=O)NNC(=O)c2ncccn2)c1	841580554	BKZNCFDCVITDMF-UHFFFAOYSA-N	313.361	1.744	50	20	DDGD	
CC(C)O[C@H]1CCCN(C(=O)NNC(=O)c2ccccc2)C1	846701840	BZKMNPWZDIVWTB-AWEZNQCLSA-N	305.378	1.930	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ncsc1C(F)(F)F	843656014	LSANLVYSSYAPRV-NTSWFWBYSA-N	323.296	1.348	50	20	DDGD	
COCCCNC(=O)NN=Cc1cc(F)c(OC)cc1OC	844577812	DIDOEBKWEHKQFO-UHFFFAOYSA-N	313.329	1.513	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNc1ccc(Cl)nc1)C(=O)O	848590323	MWJVWZVABASZDN-VIFPVBQESA-N	300.746	1.718	50	20	DDGD	
CC[C@@H](C(=O)NNc1cccc(C(=O)OC)c1C)C(=O)OC	855625558	VZSVIDBJFYFKJR-JTQLQIEISA-N	308.334	1.424	50	20	DDGD	
CCN(CC)c1ccc(C=NNC(=O)c2cc[nH]n2)c(O)c1	853392082	DILXNNHWXXSXMF-UHFFFAOYSA-N	301.350	1.725	50	20	DDGD	
CCN(C)C(=O)[C@H](C)NC(=O)NC[C@]1(C)C[C@H]1Br	856851370	FFZLWAKNJLXDHN-SBMIAAHKSA-N	320.231	1.326	50	20	DDGD	
Cc1noc(CCC(=O)NNC(=O)c2c[nH]c3ccccc23)n1	920430040	GDAOLCBXQBOBQJ-UHFFFAOYSA-N	313.317	1.253	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)NNc1ccc(Cl)cn1	856095498	OFVDVIZDHFNQOY-UHFFFAOYSA-N	305.787	1.249	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1	756274014	OISSVJHSMKURMN-VXGBXAGGSA-N	320.393	1.863	50	20	DDGD	
O=C(Cc1ccc2c(c1)COC2)NNc1ccc(Cl)nn1	758177820	JTTYLXWIAIFXGN-UHFFFAOYSA-N	304.737	1.846	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC(CCO)CC1	759691364	DZFAOWMDADADKR-UHFFFAOYSA-N	313.829	1.973	50	20	DDGD	
N#CCc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1	758040379	STPYAJLGBRXEON-UHFFFAOYSA-N	324.296	1.736	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H]1C[C@H]1CC(C)C	854284962	CRWSYJWCHQAPTQ-VXGBXAGGSA-N	301.456	1.543	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)[C@H]1CN2CCCN1CC2	928338784	AAQFZJGPKULMSL-CQSZACIVSA-N	308.813	1.481	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)COC(C)C)n[nH]2)cc1	920436518	RGOLTJBSLSGZIP-UHFFFAOYSA-N	316.361	1.571	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=S)N[C@H](C)C2CC2)c(O)n1	855100852	KDVAABKISNHGHU-SECBINFHSA-N	308.407	1.311	50	20	DDGD	
C#C[C@H](NC(=O)NC[C@]1(C)C[C@@H]1Br)[C@H]1CCCO1	856849127	MLUZKGYOOFHVTC-NOHGZBONSA-N	315.211	1.640	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=S)N[C@@H](C)C2CC2)o1	855097357	OOSWPXWTFUCSKM-QMMMGPOBSA-N	310.423	1.843	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)Cc2cc(C)[nH]n2)C[C@H]1C	758098665	SLEYMTZBNKGKFN-QMTHXVAHSA-N	320.393	1.732	50	20	DDGD	
O=C(NN=C[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)C1	755620202	DYIIXGTUPUFVIQ-RDBSUJKOSA-N	306.387	1.327	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H](Cc2ccccc2)C1)c1cn[nH]c1	858704688	OVVWJFKTDGYTTJ-CYBMUJFWSA-N	313.361	1.329	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cc(F)cnc2O)n1	857152815	GVUCANHXBJOXRP-UHFFFAOYSA-N	320.328	1.319	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cccc(Cl)c1O)C1CC1	855099097	RFHLUVWIXIUQTH-ZETCQYMHSA-N	313.810	1.953	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@]1(C)C[C@H]1Br	856861954	OPMBJSOXZIVHFB-DTHBNOIPSA-N	303.200	1.803	50	20	DDGD	
Cc1ccccc1COCC(=O)NNC(=O)[C@H]1CCO[C@H]1C	857294115	ADGQGEXHRFCIJK-JSGCOSHPSA-N	306.362	1.084	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@H](C)OCC1CC1	920807848	PDBJTODDUDQCSQ-LLVKDONJSA-N	322.361	1.037	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=S)NCC2CCC2)nn1C	855090750	OBFCYMXLPVDYPJ-UHFFFAOYSA-N	309.439	1.453	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@@](C)(O)Cn1ccccc1=O	855369998	JQIIQDPWLPHUSY-INIZCTEOSA-N	319.336	1.190	50	20	DDGD	
O=C(NN=Cc1cccc(F)c1F)C(=O)Nc1ccccn1	758388490	BKVWIXJSBKJJQF-UHFFFAOYSA-N	304.256	1.449	50	20	DDGD	
Cc1ccc(NNC(=O)c2cn(C3CCOCC3)nn2)cc1F	856227322	BPKRAMJXTJLDMP-UHFFFAOYSA-N	319.340	1.834	50	20	DDGD	
CC(C)(C)C[C@@H]1C[C@H]1NC(=O)NNC(=O)c1cccc(F)n1	852397725	ZCFRITIDMZSPJQ-GXSJLCMTSA-N	308.357	1.989	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cccc2c1COC2=O	931450482	AXUOOWDTUUELIX-UHFFFAOYSA-N	301.302	1.313	50	20	DDGD	
CCC[C@H](CNC(=O)NNC(=O)c1ccccc1F)OCC	858405523	HSSWLMOLLPJKSC-LLVKDONJSA-N	311.357	1.975	50	20	DDGD	
C[C@@H](C(=O)OC[C@H](CBr)C1CC1)S(C)(=O)=O	859510793	ZNERRPDBQVMTFZ-CBAPKCEASA-N	313.213	1.384	50	20	DDGD	
CC(C)[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(F)n2)CCO1	852239828	VHHUTWVWBGIZFL-ZYHUDNBSSA-N	324.356	1.368	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CN2[C@@H](C)CC[C@@H]2C)nc1	759738526	PEXMTKDQLSAMOQ-QWRGUYRKSA-N	306.366	1.184	50	20	DDGD	
CSCC1(CC(=O)NNC(=S)NCC2CCC2)CC1	855092904	SQLAAWNNFOGBOC-UHFFFAOYSA-N	301.481	1.815	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(N(C)C)nc2)nc1	759738476	MGADOHLOLQCRSN-UHFFFAOYSA-N	315.333	1.086	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1C(=O)Nc2c(F)cccc21	753954320	CZBDEMUTFATAOB-UHFFFAOYSA-N	319.321	1.259	50	20	DDGD	
CC(C)(C)N1C[C@@H](C(=O)NNc2cccnc2Cl)CC1=O	754488409	WOYZVHRPGHFGBT-VIFPVBQESA-N	310.785	1.825	50	20	DDGD	
CC[C@@]1(C(=O)NNc2cc(Cl)nc(Cl)c2)CCNC1=O	868969688	VFEVKGFSEGGJHN-GFCCVEGCSA-N	317.176	1.748	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(OC)c(COC)c1	932185520	DNWPKSKDHQGCQO-UHFFFAOYSA-N	319.361	1.798	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)/C=C\CN1CCOCC1	865101319	WTNGDPZZGVVBML-IHWYPQMZSA-N	322.317	1.397	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1CCSC1	761836789	ROGLFBPFCMWBRD-SNVBAGLBSA-N	304.375	1.157	50	20	DDGD	
COCC(=O)NN=C(C)[C@H]1CN(Cc2ccccc2)CCO1	761821985	QFTVQXUVFFMMQI-OAHLLOKOSA-N	305.378	1.026	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NC1CCC(F)(F)CC1	761777070	VWYIEKBRVLCUCQ-UHFFFAOYSA-N	312.320	1.532	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2ncsc2C(C)C)n[nH]1	869017247	KECRSJZGJFLWAR-UHFFFAOYSA-N	307.379	1.302	50	20	DDGD	
CNC(=O)C1CCN(C(=O)[C@H](Br)C(C)(C)C)CC1	767012799	UQKCAOYVIJPPLK-JTQLQIEISA-N	319.243	1.781	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2cccc(C)n2)CCN1C(C)C	935753343	OKKVRPOJRJDPSN-UHFFFAOYSA-N	302.378	1.539	50	20	DDGD	
Cc1cn2c(C=NNC(=O)CN3CCCC3=O)c(C)nc2s1	767180761	WNJMXJNDIYFWKX-UHFFFAOYSA-N	319.390	1.085	50	20	DDGD	
C[C@@H]1COCCN1CCNC(=O)[C@@H](Br)C(C)(C)C	767955891	IBUVBDHFRHALQA-GHMZBOCLSA-N	321.259	1.633	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)OCc1nnnn1C1CC1	766752283	PLLXGBSRLZKNEZ-SECBINFHSA-N	317.187	1.861	50	20	DDGD	
CCC[C@@H]1C[C@H](C(=O)NNC(=O)Cc2cc(C)[nH]n2)CCO1	869015302	PGNVZPZECMHPKJ-DGCLKSJQSA-N	308.382	1.003	50	20	DDGD	
COc1cc(C=NNC(=O)Cc2cc(C)[nH]n2)cc(OC)c1	767403176	HYAXXJOWZJXSEY-UHFFFAOYSA-N	302.334	1.428	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H]2CCCCN2C(=O)C(C)C)cc[nH]1	862510887	XYKHCEAZTXWFKR-CQSZACIVSA-N	304.394	1.292	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)Cc2ccco2)cc1	765445179	LVIWHCKSLLQRBM-UHFFFAOYSA-N	318.402	1.906	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@@H]2CCC(=O)N2)cc1Br	863148153	VANJXEQSBDEBHJ-NSHDSACASA-N	324.178	1.486	50	20	DDGD	
Cc1cc(=NNC(=O)c2c(C)nn(C)c2Br)cc[nH]1	862513596	IZGCJGFCTYWMBA-UHFFFAOYSA-N	324.182	1.373	50	20	DDGD	
CC(=O)N1CCC[C@@H](CNS(=O)(=O)CC(C)(C)CCl)C1	867215923	YQHCPHSVPNQYFT-LBPRGKRZSA-N	324.874	1.429	50	20	DDGD	
O=C(NNC(=O)C1(F)CCOCC1)c1cccc2ncccc12	865201477	BIHWSXPNYBLPII-UHFFFAOYSA-N	317.320	1.515	50	20	DDGD	
CN(Cc1ncc[nH]1)C(=O)NNC(=O)CCCc1ccccc1	868206441	XQJSNPDJWDERGQ-UHFFFAOYSA-N	315.377	1.605	50	20	DDGD	
CCN1CCOC[C@H]1C(=O)NNc1ccc(F)c(Cl)c1	863081702	URWAHLYWFXGGKX-LBPRGKRZSA-N	301.749	1.643	50	20	DDGD	
COCCOCC(=O)NNC(=O)[C@H](F)CC1CCCCC1	869906298	LELRAVJFNZZMRO-GFCCVEGCSA-N	304.362	1.105	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccc(OCc2ccccc2)cc1	1116189078	AJZLQSXWGKGABW-UHFFFAOYSA-N	312.325	1.889	50	20	DDGD	
C[C@H](NC(=O)[C@H](Br)C(C)(C)C)[C@H]1CN(C)CCO1	768296779	GBZLCJOALHMERK-AXFHLTTASA-N	321.259	1.631	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccnc1)c1cc(C)cc(C)c1	763193495	OGPPXDFYXNETDX-UHFFFAOYSA-N	324.384	1.969	50	20	DDGD	
C[C@@]1(CNC(=O)N2CCCC[C@@H]2CN)C[C@H]1Br	1119419131	MUOKMZLTTJKZLF-FOGDFJRCSA-N	304.232	1.683	50	20	DDGD	
CC(C)(CO)C(=O)NNC(=O)c1ccc(Br)cc1	1118374316	XWQGUCTWSVCRSA-UHFFFAOYSA-N	315.167	1.229	50	20	DDGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1cncnc1	760569098	MTXBIPSUPXNQBK-UHFFFAOYSA-N	311.128	1.858	50	20	DDGD	
O=C(NN=Cc1nc2ccc(F)cc2s1)C(=O)NC1CC1	761787089	VWHGEXIIUPZGAS-UHFFFAOYSA-N	306.322	1.164	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)c2ccc(Cl)nc2)CCC1=O	763912961	WOAURDUIVOKXHK-RKDXNWHRSA-N	309.753	1.501	50	20	DDGD	
C[C@@H]1CC[C@@H](CNC(=O)NNc2ccc(C(C)(C)C)nn2)O1	1117866445	SCNWNQLSQYJJGX-MNOVXSKESA-N	307.398	1.968	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)N[C@H](CO)CC1CC1	778686950	NAVYRNUMVZQDLX-LBPRGKRZSA-N	317.345	1.538	50	20	DDGD	
CN(C)Cc1cc(C(=O)NNc2cc(C#N)cc(Cl)n2)no1	1116530048	CEIDKAHGVACLNL-UHFFFAOYSA-N	320.740	1.413	50	20	DDGD	
Cc1cccc(NNC(=O)NCC2(C(=O)N(C)C)CCCC2)n1	875283671	VOUHXWHKTSFWGT-UHFFFAOYSA-N	319.409	1.665	50	20	DDGD	
CN(C)c1ccncc1C=NNC(=O)Cc1cn2ccccc2n1	776186648	PYPRNEJVPOTJOP-UHFFFAOYSA-N	322.372	1.488	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CO[C@@H]1CCCC[C@H]1C	772132280	KPMQRFPPLUQYOH-GRYCIOLGSA-N	314.382	1.071	50	20	DDGD	
COCC#CC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	1118546515	QDVSEGXOVWNUFK-SNVBAGLBSA-N	306.387	1.284	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(NC(C)=O)ccc1OC	878050898	BKOORUIJDWEGGV-UHFFFAOYSA-N	310.354	1.268	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H](C(=O)OC(C)(C)C)C(C)C	875705430	UXJTYEKZUWOHRH-JTQLQIEISA-N	317.386	1.513	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CC(C)(C)c1ccccc1	772053846	LLWGUCHYAWFGOS-GFCCVEGCSA-N	320.389	1.843	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccc(O)c([N+](=O)[O-])c1	776120303	WBZYOLUOWXTMHT-UHFFFAOYSA-N	307.184	1.014	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CCc2nc[nH]n2)c1	873755587	NMFSMQVGMVZZKD-UHFFFAOYSA-N	318.406	1.372	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)CC[C@@H]1CCOC1	773637322	FCWMKCULMBXKHR-SNVBAGLBSA-N	310.325	1.872	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cccc(NC(C)=O)c1C	887148006	KTSAEGREWRXPPH-UHFFFAOYSA-N	301.346	1.518	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)Nc1cccc2c1OCC2	880165172	NCXZNKBQOUTALN-UHFFFAOYSA-N	305.334	1.201	50	20	DDGD	
C#CC[C@@H](N[C@@H](C)C(=O)NNC(=O)CC(C)C)c1ccccc1	775400401	ZSEKQGXGPYFBMY-GOEBONIOSA-N	315.417	1.923	50	20	DDGD	
COC(=O)Nc1ccc(NC(=O)NNc2ncc(F)cn2)cc1	775520941	KQCMBEYNZAIHKW-UHFFFAOYSA-N	320.284	1.943	50	20	DDGD	
CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)C1CCOCC1	883064718	MATDZQCNCLRCCR-OAHLLOKOSA-N	320.389	1.726	50	20	DDGD	
CO[C@H]1CCC[C@@H]1CNC(=O)NNC(=O)CCc1ccccc1	774785814	CNBYHRUSUAWCLL-CABCVRRESA-N	319.405	1.765	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C1CCOCC1)[C@H]1C[C@H]2CC[C@H]1C2	883038423	HVHXNYWBGGLIIW-AUZPSNTRSA-N	309.410	1.568	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)/C=C\c1nccs1	1123727363	LKLRRFSQTSDGRJ-SREVYHEPSA-N	313.379	1.093	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1cccc(F)c1F	776258911	AOTLMVMSDOKSJG-SNVBAGLBSA-N	300.305	1.857	50	20	DDGD	
C#CCCCC(=O)NNC(=O)COC/C=C/c1ccccc1	887145617	KXUYVDDEGFIVBL-DHZHZOJOSA-N	300.358	1.667	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)C2CCOCC2)CCC1	883068746	GQUAQCSRWSFMNR-UHFFFAOYSA-N	316.401	1.991	50	20	DDGD	
CCCCOCCOCCNS(=O)(=O)CBr	782458647	JVIDRUYPACHJME-UHFFFAOYSA-N	318.233	1.092	50	20	DDGD	
O=S(=O)(CCCCl)N1CCc2ccc(O)cc2CC1	881915558	OWCCZFWDLYIANR-UHFFFAOYSA-N	303.811	1.752	50	20	DDGD	
COc1ccc(C=NNC(=O)C(C)(C)O)c(Cl)c1OC	785457861	JBCIHPCMRRSCNP-UHFFFAOYSA-N	300.742	1.578	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2ccccc2C(N)=O)cc1	788705219	TXLQIOSSVZSCOG-UHFFFAOYSA-N	311.341	1.623	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1ccc(C#N)cc1Cl	788437796	DZXKMIUOULISSP-UHFFFAOYSA-N	308.725	1.408	50	20	DDGD	
C#CCN1CCC(C(=O)NNc2c(F)cc(F)cc2F)CC1	885150710	HHKROKIJCNHJIU-UHFFFAOYSA-N	311.307	1.892	50	20	DDGD	
CC(C)[C@H](F)C(=O)OCC(=O)NNC(=O)c1cccs1	784302010	BXBVVVQPTFHXDG-JTQLQIEISA-N	302.327	1.046	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)no1	895411524	PHBARNZVAXCIEL-UHFFFAOYSA-N	317.345	1.694	50	20	DDGD	
CC(C)(O)CCC(=O)NNC(=O)Cn1ccc2ccccc21	787322552	GJFSUOLGOBRFSD-UHFFFAOYSA-N	303.362	1.340	50	20	DDGD	
C[C@H]1CCN(CCNC(=O)NNC(=O)Cc2ccccc2F)C1	897432451	JZELHQGXPAGEFK-LBPRGKRZSA-N	322.384	1.040	50	20	DDGD	
CCOc1c(C=NNC(=O)C(F)F)c(C)nn1CC(C)C	782233678	AZKVSADBTUIRFT-UHFFFAOYSA-N	302.325	1.961	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)O[C@@H](C)c2nnnn2C)c1	787599696	HZMUFTNJWLJZCT-BZPKPHBRSA-N	313.317	1.430	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1cccc(N2CCOCC2)c1	785458240	ROZJFWJCDWPUMX-UHFFFAOYSA-N	305.378	1.134	50	20	DDGD	
O=C(NNC(=O)c1c[nH]cc1-c1ccccc1F)NC1CC1	787193369	IUJKEHSMXRYELF-UHFFFAOYSA-N	302.309	1.927	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CCC[C@@](C)(C#N)C1	784172549	CSWQKFWKPZLQPT-INIZCTEOSA-N	300.362	1.975	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NN=C[C@H]1CCSC1	782152062	NGSWITHPDNEWBF-SNVBAGLBSA-N	309.347	1.829	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(C#N)cc2)n1	895829461	RTDPTGDYPQGVRR-LBPRGKRZSA-N	324.340	1.490	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42	793825084	PTPMKDDCIGAHMQ-LVUKJBQFSA-N	315.804	1.994	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H](CO)C2CCCCC2)n1	793220138	KEZUOUCYGNBQMW-AWEZNQCLSA-N	320.393	1.275	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H]2CCN(CC(F)(F)F)C2)nc1	899661095	JZTINVZUILECOL-JTQLQIEISA-N	313.283	1.281	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NNc1nc(-c2ccncc2)no1	896073548	XTHIJFJZFXPJDE-NSHDSACASA-N	316.365	1.448	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1c(C)c(O)c(C)c(C)c1O	799880570	BHRIALSZHHQOIW-GFCCVEGCSA-N	324.377	1.525	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)Cc2cccnc2)[C@H](n2cncn2)C1	794508774	RWTBJHOEASBHIQ-IUODEOHRSA-N	312.377	1.749	50	20	DDGD	
COc1ccccc1CONC(=O)NNc1ccc(Cl)nn1	798536235	UKGNDZLGSWFSFO-UHFFFAOYSA-N	323.740	1.897	50	20	DDGD	
COC(=O)C(=O)NNC(=O)NC[C@@H]1C[C@H](C)CC[C@@H]1C(C)C	1318883477	ZACSPYIMVYZNSY-GRYCIOLGSA-N	313.398	1.198	50	20	DDGD	
Cc1nnc(O)c(C(=O)NNc2cnnc3ccccc23)c1C	1318537189	VUUWHHFUISXJMQ-UHFFFAOYSA-N	310.317	1.499	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)c2n[nH]c3c2CCCC3)cn1	1318469950	UPIDWEVKRAVULZ-UHFFFAOYSA-N	300.366	1.830	50	20	DDGD	
CN(C)CC(=O)NNC(=O)C(F)(F)c1ccc(Cl)cc1	1318787812	QIOPSMNOHKIKSJ-UHFFFAOYSA-N	305.712	1.141	50	20	DDGD	
Cc1ccccc1C(F)(F)C(=O)NNC(=O)c1cnn(C)c1	1319611610	FFBLSFHXXWSIMB-UHFFFAOYSA-N	308.288	1.282	50	20	DDGD	
O=C(Cc1c[nH]c2cnccc12)NNC(=O)Nc1ccccc1	1327867723	BRWFLVIILDXRGF-UHFFFAOYSA-N	309.329	1.958	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1	1324487850	KWPAUHZXLRSKKJ-OUAUKWLOSA-N	303.497	1.917	50	20	DDGD	
O=C(NNc1nc2ccccc2s1)C(=O)Nc1cnns1	1324593955	ONGKWWTXYYOFPO-UHFFFAOYSA-N	320.359	1.230	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H]1CCN(c2ccccc2F)C1	1324725702	ZAEZHSAIXYZQEN-LLVKDONJSA-N	324.425	1.556	50	20	DDGD	
CC(=NNC(=O)C[n+]1ccccc1)c1c(C)nn(C(C)C)c1C	1256370368	OELMEAXNLOIVFA-UHFFFAOYSA-O	314.413	1.909	50	20	DDGD	
C/C(=C\c1ccco1)C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1331965529	VBTLCMFAGAEPDC-MDZDMXLPSA-N	314.345	1.746	50	20	DDGD	
CC(=O)Nc1cccc(C(C)=NNC(=O)C2CCOCC2)c1	1333213814	AOLQFNYRPFXRIK-UHFFFAOYSA-N	303.362	1.912	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H](C(=O)NNc1ccccc1)C(C)(C)O	1343725850	OCBSAGJKDFEIQZ-GFCCVEGCSA-N	323.393	1.794	50	20	DDGD	
COc1cc(NNC(=O)NCc2nnc(C)o2)ccc1Cl	1344061083	QUHWBBRLSOBPMS-UHFFFAOYSA-N	311.729	1.866	50	20	DDGD	
CSSCCNC(=O)NC[C@@H](CO)CC1CCOCC1	1342496571	RZSQIYNUSNNQMU-LBPRGKRZSA-N	322.496	1.722	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)N[C@H](C)c1nnnn1C	1346642004	QGNQEFPLEQOLQU-MRVPVSSYSA-N	309.761	1.559	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC[C@H](C(=O)O)CC1)OCC(F)(F)F	1601556510	ZZFSZRCASVTRSU-LJGSYFOKSA-N	312.244	1.197	50	20	DDGD	
Cc1c(NNC(=O)NC[C@H]2CCCCO2)cccc1C(=O)O	1607552529	IREKXWIOFABGJO-LLVKDONJSA-N	307.350	1.888	50	20	DDGD	
Cc1cc(/C=C(/C#N)C(=O)NCC(C)C)ccc1-c1nn[nH]n1	1609399635	IXWIVFADOANSBE-QPEQYQDCSA-N	310.361	1.854	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)N[C@@H]1C[C@H]2CC[C@@H]1O2	1601557362	USKAORWLCDIQOC-FXAINCCUSA-N	309.297	1.470	50	20	DDGD	
O=C(CCOc1ccccc1F)NNc1ccc(C(=O)O)cn1	1601283132	MXEJWYXOZLOVND-UHFFFAOYSA-N	319.292	1.831	50	20	DDGD	
Cc1ccnc(O)c1C(=O)NNc1ccc(F)c(C(=O)O)c1	1600600330	DTUJWBUBQSRTRJ-UHFFFAOYSA-N	305.265	1.690	50	20	DDGD	
O=C(O)C(=O)NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])s1	1601635380	FDWPYWUTKGKGAK-UHFFFAOYSA-N	319.298	1.858	50	20	DDGD	
O=C(COCc1ccncc1)NNc1cccc(C(=O)O)c1	1601339570	TZZNBEPRPHEKLV-UHFFFAOYSA-N	301.302	1.440	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2cccc(C(=O)O)c2)sn1	1600251081	SFLMSISXWOWYMC-UHFFFAOYSA-N	320.330	1.232	50	20	DDGD	
COC1CC(CCNC(=O)NNc2ccc(CC(=O)O)cc2)C1	1606722062	CHKOGQTWCPRIHR-UHFFFAOYSA-N	321.377	1.755	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2ccc(C(=O)O)o2)c1	1610525010	VGAZFKXYRZDFHI-UHFFFAOYSA-N	318.285	1.126	50	20	DDGD	
CC(CCc1cccnc1)=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549903999	FEPWVVNIYDZJRH-JKSUJKDBSA-N	316.405	1.370	50	20	DDGD	
CC(CC1CCOCC1)=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549316898	ITRNUNOYDAILEZ-LSDHHAIUSA-N	309.410	1.158	50	20	DDGD	
CO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Cl)C2	1802384571	HZPHOOPEDMVRAB-KAMPLNKDSA-N	306.765	1.194	50	20	DDGD	
CCc1ccc(NNC(=O)C2([C@@]3(O)CCCNC3)CCC2)cc1	1578262745	ZBEVSINJMBUQOE-GOSISDBHSA-N	317.433	1.977	50	20	DDGD	
CC[C@H]1NCC[C@H]1C(=O)NNc1ccc(C(=O)OC)cc1F	1577308027	JTTWBCZSDJRKGK-ZYHUDNBSSA-N	309.341	1.444	50	20	DDGD	
COCCN(CC(C)C)NC(=O)[C@@H]1NCC[C@H]2CCCC[C@@H]21	1579026323	POBWGIBKEJAOCP-OWCLPIDISA-N	311.470	1.790	50	20	DDGD	
CC(=O)c1cc(C(=O)NNc2ccc(CC(=O)O)cc2)n(C)c1	1589257908	OTZPLTNSKLABJA-UHFFFAOYSA-N	315.329	1.612	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](C)COC)C2	1845163150	IMSVTSUFUQXNFL-RYUDHWBXSA-N	316.829	1.490	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)[C@H]1CNCc2ccccc21	1580739589	JXWNNZUYCAPYOO-NSHDSACASA-N	303.753	1.460	50	20	DDGD	
CC(C)(C(=O)O)C(=O)NNc1ccc(Br)nc1	1588618358	DUEDCSIJVFSDTH-UHFFFAOYSA-N	302.128	1.398	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)Nc1cc2ccccc2nn1	1594781480	AVEFQOHBYVPRHR-UHFFFAOYSA-N	324.300	1.872	50	20	DDGD	
Cc1c(C(=O)NNc2cccc(C(=O)O)c2)cnn1CCC#N	1599982111	JXJZDKIPQCHJQE-UHFFFAOYSA-N	313.317	1.560	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)Nc1cccc(C(=O)O)c1	1594782941	OPKKXTYYYVYAHT-IJLUTSLNSA-N	319.317	1.105	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)c1ccnc(-c2nn[nH]n2)c1	1593161509	YLAWNRUQWLLMQN-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)Nc1cccc(NC(=O)NN(C)C)c1	1594227797	NASLURXYGQAKFI-PSLIRLAXSA-N	320.349	1.334	50	20	DDGD	
CCOC(CC(=O)NNc1ccc(C)c(C(=O)O)c1)OCC	1596782560	RZPJVFAWSLRGSO-UHFFFAOYSA-N	310.350	1.926	50	20	DDGD	
CC[C@H](C)[C@@H](NNC(=O)c1cc(Br)c[nH]1)C(=O)O	1594921525	QUIUCIDFBOTCBB-IMTBSYHQSA-N	318.171	1.511	50	20	DDGD	
CC(C)(C)OC(=O)NCCNS(=O)(=O)CCCCl	232492542	ZLPARGHXMPATAN-UHFFFAOYSA-N	300.808	1.059	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NN=Cc1c[nH]c2c(C(=O)O)cccc12	1776102227	KGVBTKQLQVASPM-STQMWFEESA-N	315.329	1.741	50	20	DDGD	
CC(=NNC(=O)C[n+]1ccccc1)[C@@H]1C[C@H](CC(=O)O)C1(C)C	1776058190	MREHFDUNCGCBTQ-KGLIPLIRSA-O	318.397	1.603	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC	1795107227	OYGWFRYEYGROHW-OPDFLTKYSA-N	316.829	1.394	50	20	DDGD	
CCN(CC)CC(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	151104368	CRSKASIEYLHOEU-UHFFFAOYSA-N	321.406	1.241	50	20	DDGD	
CC[C@@H](CC(=O)NNC(=O)C(=O)NC(C)C)c1ccc(C)cc1	155088600	YXCKLSZUCVMOLJ-ZDUSSCGKSA-N	319.405	1.551	50	20	DDGD	
Cc1nn(C)cc1C(=O)NNC(=O)c1cccc2ccccc12	157640711	ZXTQIBNZHNKVMA-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
ICCN1CCN(C2CCOCC2)CC1	190923559	LDJYIMLMUYAAJU-UHFFFAOYSA-N	324.206	1.218	50	20	DDGD	
CN1CC=C(CNS(=O)(=O)c2ccc(CCl)cc2)CC1	392254588	IBIULYAISJNPMQ-UHFFFAOYSA-N	314.838	1.966	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21	912834958	ACITZBLONZKRCI-KWCYVHTRSA-N	302.330	1.511	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Cc1ccc(-n2cccn2)cc1	103197710	TWBUMTHIKPFXIG-UHFFFAOYSA-N	314.389	1.998	50	20	DDGD	
Cc1cccnc1CNC(=O)NNC(=O)c1cccc(C#N)c1	105286621	KCYZFJRLXCIBKV-UHFFFAOYSA-N	309.329	1.406	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@H](C)SC	106277569	JMBZZRCOBMCYOM-JTQLQIEISA-N	312.391	1.363	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NC[C@H]1CCCOC1	57162565	VTKPMSUWYNHRNK-GFCCVEGCSA-N	309.341	1.125	50	20	DDGD	
CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)c1cccn1C	175779187	BUGMIRCEWLDBMN-OAHLLOKOSA-N	315.373	1.952	50	20	DDGD	
N#CC1(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CCCC1	112824480	XZRIHAJMSBZIKU-UHFFFAOYSA-N	323.356	1.717	50	20	DDGD	
CCCCCCN(C)CC(=O)NNC(=O)c1ccccc1OC	111619361	NAOSYQGIKJYNHM-UHFFFAOYSA-N	321.421	1.968	50	20	DDGD	
COc1ccccc1NC(=O)NNC(=O)Cc1cccnc1	171725364	DMPONIUPDINENN-UHFFFAOYSA-N	300.318	1.486	50	20	DDGD	
Cc1ccnc(NNC(=O)c2ccc(C)c(S(C)(=O)=O)c2)c1	176763394	OVUXSDWGDGOHHV-UHFFFAOYSA-N	319.386	1.859	50	20	DDGD	
N#Cc1c[nH]c(C(=O)NNC(=O)c2cccc(OC(F)F)c2)c1	175564187	IKARJWOXGVRJQZ-UHFFFAOYSA-N	320.255	1.563	50	20	DDGD	
Cc1ccncc1NC(=O)C(=O)NNC(=O)CC1CCCC1	125846394	ICQGUSDEMHSAJT-UHFFFAOYSA-N	304.350	1.056	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)NNc2ccccn2)C1	181189309	LGZOSVASBFFHIR-HNNXBMFYSA-N	324.356	1.874	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)C1(O)CCSCC1	181137937	NHHIHAUUZBXGCJ-UHFFFAOYSA-N	303.387	1.936	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1ccc(F)cn1	183949222	FUFKXJGVDVSBIW-UHFFFAOYSA-N	307.256	1.200	50	20	DDGD	
CC(C)(C)Oc1ccc(CNC(=O)NNc2cccnn2)cn1	182180812	XOQNFIDWXQHOEW-UHFFFAOYSA-N	316.365	1.875	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2cccc(C)c2F)o1	180517257	PEIZNORJGHPABM-UHFFFAOYSA-N	312.322	1.659	50	20	DDGD	
CN(NC(=O)c1ccnc(OCc2ccccc2)c1)C(N)=O	182654865	FWCCVNMIEIMCLP-UHFFFAOYSA-N	300.318	1.316	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1ncc(Cl)cc1Cl	132948576	UCKXPIOGDJUNFN-UHFFFAOYSA-N	321.164	1.968	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1cc(Cl)ccn1)C(C)C	182943356	UVWMAKLOIKBPII-JTQLQIEISA-N	300.746	1.559	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)NC(C1CC1)C1CC1	45438950	WWIMQNCODJMLBE-UHFFFAOYSA-N	318.333	1.727	50	20	DDGD	
COCCN(C)c1ccc(/C=C(\C#N)C(=O)NC(C)C)cn1	190231981	SWGPPCRNRPWETO-NTEUORMPSA-N	302.378	1.596	50	20	DDGD	
COc1nccnc1NNC(=O)c1cnc2ccc(F)cc2c1	131695584	UMCHGMUCCCMUBL-UHFFFAOYSA-N	313.292	1.929	50	20	DDGD	
C/C=C(/CC)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12	190005673	ZEOBROBSUHQFTL-WMZJFQQLSA-N	314.345	1.051	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)NOC[C@H]1CCOC1	190434451	QPRDJRQUFTTZOP-ZETCQYMHSA-N	305.256	1.698	50	20	DDGD	
CCCCC[C@@H](C)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1	42994865	NCVNJJCISZKCPX-DGCLKSJQSA-N	305.444	1.336	50	20	DDGD	
CC(C)(CO)CCCNC(=O)NNC(=O)CCc1ccccc1	86405827	SFGYJUAWPCAEAQ-UHFFFAOYSA-N	321.421	1.748	50	20	DDGD	
COCCCNC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	42901090	WLZOWESDTZGXTP-UHFFFAOYSA-N	323.437	1.960	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1ccc2c(c1)CCC(=O)N2	195215919	LFSQUULNVDXLRO-UHFFFAOYSA-N	315.373	1.913	50	20	DDGD	
COc1ccc(Br)c(C(=O)NNC(=O)N(C)C)c1	194936128	KFBLBDUANWVUHV-UHFFFAOYSA-N	316.155	1.374	50	20	DDGD	
NNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1	193156174	AHUQQFRJUDJDCO-SNVBAGLBSA-N	302.161	1.588	50	20	DDGD	
Cc1ccc(C(=O)C(=O)NNC(=O)NCc2ccco2)cc1	138935234	HSNPXBZGBKEEGM-UHFFFAOYSA-N	301.302	1.301	50	20	DDGD	
C[C@](O)(CC(=O)NNc1nc2ccccn2n1)c1ccccc1	191924738	LBBQISBXBXHFDR-INIZCTEOSA-N	311.345	1.470	50	20	DDGD	
CN(C)C(=O)NNC(=O)Cc1csc(-c2ccccn2)n1	194927989	SZMVMPHZKWFMSP-UHFFFAOYSA-N	305.363	1.050	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1cccnc1Cl)C(C)C	85681588	VWRSRTOPRHLBGM-VIFPVBQESA-N	300.746	1.559	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C[C@H](C)[C@@H]2CCCNC2)n1	237304703	YKLQEPPSOOYBFU-CMPLNLGQSA-N	307.398	1.263	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c(C)o1	237870387	BHKPWCYXAMEERS-DJIHRAIXSA-N	318.329	1.180	50	20	DDGD	
C[C@@H]1CCCN([C@H](C)CNC(=O)NNC(=O)c2ccccc2)C1	249530016	XIFWDQJDMXKOHT-ZIAGYGMSSA-N	318.421	1.751	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	254956514	UEHLSRSUWRXONF-FPLPWBNLSA-N	306.234	1.885	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(CCCN(C)C)CCCN(C)C	269495165	UWUCWZVNVJHZRS-CCEZHUSRSA-N	310.442	1.162	50	20	DDGD	
CCn1cc(CNC(=O)c2c(C)nn(CCCl)c2C)cn1	266862183	UOUVOFPLYHJFRD-UHFFFAOYSA-N	309.801	1.885	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C2CC2)n(Cc2ccccc2)n1	263914172	NFCZGRPFAOWLSE-UHFFFAOYSA-N	313.361	1.803	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)COC1CCCC1	264424954	XUDFGFQSCHBPBX-UHFFFAOYSA-N	306.362	1.431	50	20	DDGD	
C[C@@]1(CCCC(=O)NNc2cccc(F)c2)NC(=O)NC1=O	269599882	XRALNRDBBZLCBM-AWEZNQCLSA-N	308.313	1.037	50	20	DDGD	
O=C(CSC[C@@H]1CCCCO1)NNC(=O)c1cccnc1	263835156	FSZMZBJXPDHVSH-LBPRGKRZSA-N	309.391	1.145	50	20	DDGD	
CC[C@@H](C)[C@H](NC(=O)NNC(=O)c1cc(C)n[nH]1)C(F)(F)F	278457624	GWCZVRJTQLIACK-MUWHJKNJSA-N	321.303	1.639	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@H]1CCCCS1	273031557	YPZHLMWIBWNUSU-CYBMUJFWSA-N	308.403	1.671	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H]1CCc2ccc(OC)cc21	277134093	BCOGQPJXAYVSFH-ZDUSSCGKSA-N	321.377	1.092	50	20	DDGD	
CC1CCN(C(=O)C(=O)NNc2ccc([N+](=O)[O-])cc2)CC1	278509215	XMWURFFJGIFUGU-UHFFFAOYSA-N	306.322	1.296	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@H]1CCO[C@@H]1C(C)(C)C)c1cccnc1	277789287	JTZBBASESAXSKG-UBHSHLNASA-N	319.405	1.784	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)COc2ccccc2F)cn1	272987358	SDTAJUXTYBEBMU-UHFFFAOYSA-N	320.324	1.272	50	20	DDGD	
COCCOc1cc(C(=O)NNc2cccc(OC)n2)ccn1	272583032	YMFJNCNCGSIUFK-UHFFFAOYSA-N	318.333	1.267	50	20	DDGD	
CCc1c(C(=O)NNC(=O)C2CC2)cnn1-c1ccccc1C	274477345	NOAVHFNRYZJQOK-UHFFFAOYSA-N	312.373	1.914	50	20	DDGD	
COC(=O)COCC(=O)NNc1c(Cl)cccc1Cl	288280506	GTISGFZAXXNFCU-UHFFFAOYSA-N	307.133	1.626	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)c(Cl)c1	283659792	DZDVLAFIUNRPDS-SNVBAGLBSA-N	310.741	1.080	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H]2C[C@]23CCOC3)c1	372054507	ZECHPEBWZRWWHQ-CJNGLKHVSA-N	315.398	1.412	50	20	DDGD	
C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)CCCCCl	376345116	YAKZMFGFMJPOTA-OLZOCXBDSA-N	308.875	1.894	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc(C)sn1	287718483	FXMCSNXJWNWOIF-UHFFFAOYSA-N	301.368	1.002	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cccnc2OC(C)C)n1	289166955	JYBOGGTVQGEWAY-UHFFFAOYSA-N	317.349	1.733	50	20	DDGD	
COCCn1ccc(C(=O)NNc2nccnc2C2CCC2)n1	287335167	YHZYHKNESCCCGU-UHFFFAOYSA-N	316.365	1.344	50	20	DDGD	
COc1ccc(C=NNC(=O)c2cnccn2)c(C)c1OC	807962451	XPIXJBTWJYPNTN-UHFFFAOYSA-N	300.318	1.566	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1C	294378269	WKSDQVALCRPCRT-WFASDCNBSA-N	320.389	1.787	50	20	DDGD	
O=C(CN1CCN(c2ccccn2)CC1)NCC(Cl)Cl	294574005	YDCZBODYKMUACM-UHFFFAOYSA-N	317.220	1.124	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H](c2ccccc2)OC1=O)c1ccc[nH]1	809549042	RIHFLEGGKYVVTJ-AAEUAGOBSA-N	313.313	1.080	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)c1c[nH]nc1[N+](=O)[O-]	801612584	BTERJUYQMAPCKG-UHFFFAOYSA-N	315.249	1.125	50	20	DDGD	
C[C@@H](CC(=O)NNc1ncccc1F)NC(=O)OC(C)(C)C	804212799	BPVFDTPLDVBHMI-VIFPVBQESA-N	312.345	1.967	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)c1cncc(O)c1	803161291	BCNUWQUVAUXCGT-UHFFFAOYSA-N	320.736	1.585	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNC(=O)Cc1ccc(Cl)cc1	806339244	CTHVPGNKDWNQAL-UHFFFAOYSA-N	319.748	1.251	50	20	DDGD	
COC1(CNC(=O)NNC(=O)c2ccc(C)s2)CCCC1	296195598	CQBYLLHVFXFAGW-UHFFFAOYSA-N	311.407	1.960	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1c[nH]nc1[N+](=O)[O-]	802627130	SGLMCPFDVJWDHX-UHFFFAOYSA-N	310.201	1.122	50	20	DDGD	
CN(C)CCN1C(=O)C(=NNC(=O)C2CCC2)c2ccccc21	807970928	BUMNKUAUPXDMGV-UHFFFAOYSA-N	314.389	1.215	50	20	DDGD	
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccncn1	295377322	DYFJIQHXJOGVJO-NSHDSACASA-N	309.370	1.469	50	20	DDGD	
CN(NC(=O)c1c(Br)nnn1C)c1ccccc1	809984320	DRUIAPOHKOHVIA-UHFFFAOYSA-N	310.155	1.359	50	20	DDGD	
CN(C)CCCCC(=O)NNc1ccc2c(=O)[nH]ccc2c1	803434865	ZKEXSZNYXHCYBC-UHFFFAOYSA-N	302.378	1.703	50	20	DDGD	
O=C(NNC(=O)c1cncnc1-c1ccccc1)c1ccc[nH]1	809971869	MTRNHGYRGBYAOT-UHFFFAOYSA-N	307.313	1.547	50	20	DDGD	
COCCOc1cncc(C(=O)NNc2ccc(C#N)cc2)c1	801176447	XSCMRICELCXMFS-UHFFFAOYSA-N	312.329	1.735	50	20	DDGD	
O=C(NCCN1CCCOCC1)NNc1cccc(Cl)n1	297115024	ORDQTJDXOPRYDM-UHFFFAOYSA-N	313.789	1.083	50	20	DDGD	
O=C(NCCc1ccc2c(c1)CCO2)NNc1ncncc1F	292840354	YJKTZDWPUJBDQX-UHFFFAOYSA-N	317.324	1.419	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@]2(C)CC2(F)F)c1	817426398	ZBQSRDYEVCGABB-ZDUSSCGKSA-N	314.288	1.510	50	20	DDGD	
C[C@@]1(C(=O)NNc2ccc(S(C)(=O)=O)cc2)CC1(F)F	817551150	FUTYUQJZEKYDOQ-NSHDSACASA-N	304.318	1.579	50	20	DDGD	
CO[C@](C)(CNC(=O)NNC(=O)c1cccc(C#N)c1)C1CC1	812882474	IPAXOGAKXHLCOU-MRXNPFEDSA-N	316.361	1.317	50	20	DDGD	
COC(=O)[C@@H]1C[C@H]2CC(=NNC(=O)N=c3cc[nH]cc3)[C@H]1C2	817329466	MSNYHTOGTUMHEO-ZMLRMANQSA-N	302.334	1.200	50	20	DDGD	
CC1(C)CC(=NNC(=O)Cc2csc(N3CCOCC3)n2)C1	814769519	BDMCZJWVYJRBNF-UHFFFAOYSA-N	322.434	1.814	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1ccc(C)c(C(=O)OC)c1	816689467	KADQJYDKTNKCKT-UHFFFAOYSA-N	323.349	1.361	50	20	DDGD	
Cc1cc(CC(=O)NN=C2CC[C@H](C(=O)O)C(C)(C)[C@@H]2C)n[nH]1	814787992	XERMUSNSGSVPIV-ZYHUDNBSSA-N	320.393	1.890	50	20	DDGD	
COc1ccc(-n2nc(C(=O)NN(C)C3CC3)cc2C)cc1	819650461	NDTCKIDCSXKRDA-UHFFFAOYSA-N	300.362	1.928	50	20	DDGD	
COc1cc(F)c(F)cc1NC(=O)C(=O)NNc1ccccn1	810383228	WDXYORONHCWJPL-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1nn[nH]c1-c1ccccc1	815000832	QCPWMHDUQUZMSB-UHFFFAOYSA-N	307.317	1.444	50	20	DDGD	
Cc1nc2cc(O)nn2c(C)c1CCC(=O)NN(C)C1CC1	819645752	DSBVOELVADPDSP-UHFFFAOYSA-N	303.366	1.110	50	20	DDGD	
CON1CCC(NC(=O)NNC(=O)Nc2ccccc2C)CC1	817173532	OOOUYAUDZZVEKE-UHFFFAOYSA-N	321.381	1.357	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)CC1CC1)NC(=O)c1ccccc1	819110109	UCRGBYMCXYGTSO-LLVKDONJSA-N	303.362	1.143	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cccc(C#N)n2)cc1	813576021	JVBQWUDSCOJNQU-UHFFFAOYSA-N	311.301	1.428	50	20	DDGD	
CCCCOc1ccc(C(=O)NNc2nc[nH]n2)cc1OC	816634416	HRCMDVFHCLSPPQ-UHFFFAOYSA-N	305.338	1.749	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H]1CCCN(C(N)=O)C1	725737540	ZKVSQDIKLTXLEL-SECBINFHSA-N	323.305	1.300	50	20	DDGD	
COc1cc(C)ccc1CNC(=O)NNc1ncncc1F	814312210	ZCUSGRNOHWGHEZ-UHFFFAOYSA-N	305.313	1.759	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)NCC(F)(F)F)cn1	726905889	XVYJJUMMIKHRGD-UHFFFAOYSA-N	323.300	1.153	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNC(=O)c1ccc2c(c1)OCO2	729297186	YFTYMTLBDDDBNF-LBPRGKRZSA-N	319.361	1.051	50	20	DDGD	
CC(C)(C(=O)NNC(=O)/C=C\[C@@H]1CCOC1)c1ccccc1	493787891	MKNMYVMLKXUVAH-LJTDUEICSA-N	302.374	1.704	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H]2CCSC2)o1	820201862	BGHZEYAJVGHLMK-ZETCQYMHSA-N	323.382	1.174	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccsc1C(F)F	823475350	PWMSQTSKUHHWMQ-NKWVEPMBSA-N	304.318	1.872	50	20	DDGD	
C[C@@H](CNC(=O)/C(C#N)=C/c1ccc(O)cc1)Cn1ccnc1	491175765	MRDRSDHPQOZYMD-LIOBOASVSA-N	310.357	1.948	50	20	DDGD	
COC(=O)NNC(=O)c1ccn(-c2cc(C)ccc2OC)n1	495447866	KGJIQADAHJLWBR-UHFFFAOYSA-N	304.306	1.190	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CC[C@H](c2nc[nH]n2)C1	491174704	IOTHOLWAENTGBJ-ALFJJAPYSA-N	309.329	1.433	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2cccc(F)n2)CCN1C(C)C	826693439	BOKMBKQIJGEVHA-UHFFFAOYSA-N	306.341	1.370	50	20	DDGD	
C[C@@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)OC(C)(C)C	490753755	JQACDEQYORFSPN-SNVBAGLBSA-N	313.398	1.627	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)C1CCCC1)C(=O)OC(C)(C)C	821750357	DSQFJOCSCXTUON-HNNXBMFYSA-N	314.382	1.071	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCCc1ccccc1F	826677382	MLVVKGVLMNNVAB-DGCLKSJQSA-N	323.368	1.514	50	20	DDGD	
CN(CCCNCc1ccc(B(O)O)cc1)c1cccc(F)c1	585018993	YUBGWNHWZABAHX-UHFFFAOYSA-N	316.185	1.122	50	20	DDGD	
C[C@H]1CC/C(=C/C(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1	494743455	ZJAAWVJTFUOKQF-DFYQSJSGSA-N	311.382	1.405	50	20	DDGD	
CCCNC(=O)NNC(=O)c1c(OCC)cccc1[N+](=O)[O-]	822800279	TYXWOKXXDAHYMI-UHFFFAOYSA-N	310.310	1.348	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H]1CCC[C@H]1c1ccccc1	822786126	KPDYNKPSTBJUHA-LSDHHAIUSA-N	319.405	1.937	50	20	DDGD	
CCCCCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	825268573	VERVFHVQUYPYFD-UHFFFAOYSA-N	309.761	1.939	50	20	DDGD	
Cc1cccc(C)c1[C@H]1CCCN1C(=O)c1cccc(B(O)O)c1	585007159	CXESFQGHBIMKNB-QGZVFWFLSA-N	323.201	1.961	50	20	DDGD	
Cc1nc(-c2ccccc2)ncc1C(=O)NN(C)[C@H](C)CO	823947017	RNBNJWDLIXJGDM-LLVKDONJSA-N	300.362	1.409	50	20	DDGD	
Cc1ccc([C@@H]2C[C@H]2NC(=O)NNC(=O)[C@H]2CCCCO2)cc1	827419162	SWZDFYTYAUABJM-RRFJBIMHSA-N	317.389	1.750	50	20	DDGD	
O=C(NNc1c(F)cccc1F)N[C@H]1CCCN(C(=O)O)C1	739454070	OPMAVXXLZVGMSO-QMMMGPOBSA-N	314.292	1.733	50	20	DDGD	
COc1ccccc1C[C@@H](C)CC(=O)N1CC[C@H](B(O)O)C1	585067633	UWTVHKGSSIEEBZ-OCCSQVGLSA-N	305.183	1.339	50	20	DDGD	
COc1ccnc(NNC(=O)C(C)(C)Nc2ccccc2)n1	906068799	ZHHVWMDXDKHFQJ-UHFFFAOYSA-N	301.350	1.819	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCc3ccccc3[C@H]2CO)cn1	491086759	VAXNIUFPYQIUJW-YBYKNVHQSA-N	322.368	1.445	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1nc(CC(C)(C)C)cs1	496965648	WWIVZSUFRHNSOD-UHFFFAOYSA-N	314.367	1.057	50	20	DDGD	
CCC(COC)=NNC(=O)c1csc(N2CCOCC2)n1	735972726	PWVIQJPUDJQWAD-UHFFFAOYSA-N	312.395	1.122	50	20	DDGD	
C[C@H]1N(CC(=O)NNC(=O)c2ccc(F)cc2)CCOC1(C)C	839507124	FJRMJSQYVYBUOJ-LLVKDONJSA-N	323.368	1.086	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1ccc(C#N)s1	494433606	GGVOTIHLKWTDDQ-UHFFFAOYSA-N	308.363	1.595	50	20	DDGD	
CCCCCNC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1cnn(C)c1	837968674	FTXUOCCVPVIGEZ-UGMNDJHYSA-N	318.377	1.565	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NO[C@@H]2CCCCO2)cc1	836434830	DIGKHHAYTGELPS-GFCCVEGCSA-N	324.337	1.489	50	20	DDGD	
C[C@@H]1CCCN(C(=O)COC(=O)/C(C#N)=C\c2cnn(C)c2)C1	837970133	YJQGLAPFSZBCAI-KXQKXUNCSA-N	316.361	1.129	50	20	DDGD	
CS(=O)(=O)Nc1cccc(CC(=O)NNc2ccccc2)c1	732265709	YSFGKMQGJHXISG-UHFFFAOYSA-N	319.386	1.744	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NOCc1ccccn1	909530234	CDAMXGIYGNXERH-UHFFFAOYSA-N	308.769	1.995	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)NC1CC(c2ccccc2)C1	836275586	LDEVGVHULRQZFR-YMAMQOFZSA-N	317.389	1.832	50	20	DDGD	
Cc1ccc(N2CCC[C@H](NCc3cccc(B(O)O)c3)C2)cc1	585026900	LTYPAIOAXYWVGB-SFHVURJKSA-N	324.233	1.433	50	20	DDGD	
O=C(NN=C1CC(C(=O)O)(c2ccccc2)C1)[C@H]1CCCCO1	834986189	SBWIUJBGNZQXLR-XPCCGILXSA-N	316.357	1.844	50	20	DDGD	
O=C(NNC(=O)c1cnn2ccccc12)NC1CCCCC1	735027785	DOAFIBZGNGNMPM-UHFFFAOYSA-N	301.350	1.611	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NN[C@@H](C(=O)O)c1cccnc1	833118068	HOFNCGDYWIXZJM-CQSZACIVSA-N	303.293	1.210	50	20	DDGD	
CC1(C)C[C@@H](O)c2cc(NCc3ccc(B(O)O)cc3)ccc21	585036360	IHQGSFWLMNARQG-QGZVFWFLSA-N	311.190	1.693	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCc1cocn1	730913939	YRDHOELBFRIIOU-SECBINFHSA-N	322.296	1.112	50	20	DDGD	
O=C(NCCC[C@@H]1CCCCO1)NNC(=O)[C@H]1CCCCO1	836397666	DIKSFSQEDIBEBE-QWHCGFSZSA-N	313.398	1.235	50	20	DDGD	
C=CC(C)(C)CNC(=O)NNC(=O)CCOc1ccccc1	836262870	IYEDLMXWTIEPGD-UHFFFAOYSA-N	305.378	1.998	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)Nc2ccc(C)c(C)c2)n[nH]1	918692764	CPPRNJQVCKTGRT-UHFFFAOYSA-N	303.391	1.966	50	20	DDGD	
Cn1cc(C(=O)NN=C2CCN(C3CCCCC3)CC2)cn1	735411233	SASBUGLBXVLEJV-UHFFFAOYSA-N	303.410	1.934	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)C1(CCOCc2ccccc2)CC1	910161060	RALCSVOPQHOOIT-AWEZNQCLSA-N	306.406	1.717	50	20	DDGD	
CC[C@@](C)(C=NNC(=O)Cn1nnc(-c2ccccc2)n1)OC	834922043	XNEQLTVCTOJJCZ-HNNXBMFYSA-N	316.365	1.257	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)NNc1ccccc1Br	748059261	JUSPCGHBWGGPCV-UHFFFAOYSA-N	314.183	1.807	50	20	DDGD	
CC(=O)NNC(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1	743284344	BZUJPTBTNVMKNL-UHFFFAOYSA-N	305.378	1.586	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@@H]1CCCC(=O)N1C	912835416	INEBTFURXPVSGY-ZDUSSCGKSA-N	319.361	1.297	50	20	DDGD	
COc1ccc2nc(SCC(=O)NNC(=O)C3CC3)[nH]c2c1	742444076	AEGNPRHNGMGDSN-UHFFFAOYSA-N	320.374	1.221	50	20	DDGD	
Cc1nn(CCC#N)c(C)c1CCC(=O)NNC(=O)NC(C)C	745139700	SASZYWSKDGGPCC-UHFFFAOYSA-N	320.397	1.085	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cn(-c2ccccc2)nn1	914749822	DDUIBINWUURREK-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccc3c(c2)OCO3)n1	740102089	AXWWERRBKWCNJG-UHFFFAOYSA-N	301.306	1.028	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cn(C)nc2C2CCC2)n1	840440720	FOQQPYLEVOJCOP-UHFFFAOYSA-N	313.361	1.466	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2CCc3cnc(C)n3C2)n1	845927646	GGPCTZRRXDEWPE-LLVKDONJSA-N	301.350	1.301	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNc1ccc(F)c([N+](=O)[O-])c1	842249751	DIXJSEMAOLQBAT-VIFPVBQESA-N	313.285	1.766	50	20	DDGD	
C[C@H]1CCCC[C@H]1OCC(=O)NNc1ccnc(N(C)C)n1	740112832	QQVRPEQDUYDTNW-NWDGAFQWSA-N	307.398	1.581	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H]1CCCCN1Cc1ccccc1	746166909	KQCGLSRNCZAWBK-AWEZNQCLSA-N	304.394	1.391	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cc([N+](=O)[O-])ccc1O	743813445	ZYUWCAOVRKZJSX-UHFFFAOYSA-N	307.184	1.014	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1C	842587072	VDPYFUMYBVMUHA-WCQYABFASA-N	312.391	1.038	50	20	DDGD	
NC(=O)COc1ccccc1C(=O)NNc1ccccc1F	748057111	LCLBKGGZISRULI-UHFFFAOYSA-N	303.293	1.447	50	20	DDGD	
Cc1ccc(C(=O)NN=C2CCCC[C@@H]2S(C)(=O)=O)c(O)c1	741460869	DHEJFEOEAMIYEX-AWEZNQCLSA-N	324.402	1.774	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)C2)cc1	843879360	CLYQNYVRQVWKBA-SNVBAGLBSA-N	304.350	1.275	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)[C@H]1COc2ccccc2O1	749756976	LHDHEEBWXMGEQD-JOYOIKCWSA-N	309.391	1.120	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CC2(O)CCCCC2)cc1	846374981	XQYJWTOLEPNHGB-UHFFFAOYSA-N	320.389	1.931	50	20	DDGD	
COc1ccc(CCC(=O)NN=C[C@@]2(OC)CCOC2)cc1	841620889	MUNTVOOPEDFIOS-INIZCTEOSA-N	306.362	1.535	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](Br)C(C)(C)C	840571111	GEQMTWOTAYTMMK-ZETCQYMHSA-N	317.187	1.738	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)N[C@@H](C)CCN)c(Cl)c1	841968326	WTZSAFGTHSHLOY-VIFPVBQESA-N	313.789	1.721	50	20	DDGD	
CCn1ccc(CC(=O)NNc2oc(C(C)C)nc2C#N)n1	845336569	PDRHKZSZBWVVJZ-UHFFFAOYSA-N	302.338	1.572	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1ccc(O)c([N+](=O)[O-])c1	842561928	OGIWEAYSLACREO-ONGXEEELSA-N	307.306	1.566	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NC[C@@H]1CCC[C@H]1C1CC1	840395583	LIPSWPLFRAQIBS-GJZGRUSLSA-N	316.405	1.781	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC(F)(F)F)c(C)c1	743822996	OAKYKURXPDLICK-UHFFFAOYSA-N	305.256	1.510	50	20	DDGD	
C[C@H]1CC(=NNC(=O)[C@@H]2COc3ccccc3O2)CCN1C	741452863	IMWVSABWASMOEP-NHYWBVRUSA-N	303.362	1.413	50	20	DDGD	
CSSCCNC(=O)C1=C(C)N(C)c2nnnn2[C@@H]1C	848052697	HXJIRMIVCJAVLD-MRVPVSSYSA-N	314.440	1.085	50	20	DDGD	
CCOCC(=O)NN=Cc1ccc(O[C@@H](C)C(=O)OC)cc1	758370759	RCUOJIAMIAMIFM-NSHDSACASA-N	308.334	1.114	50	20	DDGD	
CSc1ccc(NC(=O)NNC(=O)c2cc(C)[nH]n2)nc1	758000141	FTYZVUWIRMVLJR-UHFFFAOYSA-N	306.351	1.302	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc2c(c1)OCCCO2	929314477	GPAFTAXCLZZDHM-UHFFFAOYSA-N	317.345	1.804	50	20	DDGD	
C[C@@]1(CN2C(=O)[C@@H]3[C@H]4CC[C@H](C4)N3C2=O)C[C@@H]1Br	925006474	WZKAXEHADNDYHF-MRVGTOHUSA-N	313.195	1.975	50	20	DDGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)C(=O)Nc1ccccn1	758382870	ZNAZUZYOBBEWAS-LPWJVIDDSA-N	312.373	1.948	50	20	DDGD	
CNC[C@@H](C)NC(=O)NNC(=O)c1c(Cl)cccc1Cl	851679805	DDBAMHLZNRXDDE-SSDOTTSWSA-N	319.192	1.545	50	20	DDGD	
O=C(NNC(=O)C(F)(F)c1nccs1)OCC(F)(F)F	856020784	UAEOVTWAAACAEH-UHFFFAOYSA-N	319.211	1.555	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2cccc(OCC(=O)O)c2)o1	752173909	BNBXPZXHSXFLJR-UHFFFAOYSA-N	302.286	1.815	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2cccc(C(N)=O)c2)cs1	755541341	ITZUXPUDMPBHEQ-UHFFFAOYSA-N	302.359	1.243	50	20	DDGD	
COc1cccc(F)c1C(=O)NNC(=O)OCC(F)(F)F	856021160	IOZGFSJJUSQYJH-UHFFFAOYSA-N	310.203	1.768	50	20	DDGD	
O=C(NN=Cc1ccc(O)cc1O)c1nnc(-c2ccccc2)o1	920382591	IXYMWIKEAJMIAC-UHFFFAOYSA-N	324.296	1.912	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNC(=O)c1cccc(Cl)n1	857326291	VHLPLLCLNNQYEJ-LLVKDONJSA-N	310.785	1.370	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCCN2C2CC2)c1C	855625276	NFUOGFQFNQCIPQ-OAHLLOKOSA-N	317.389	1.852	50	20	DDGD	
CCOCCOCCNC(=O)NNc1cc(F)c(F)cc1F	927532195	WADKFDBBFBICSC-UHFFFAOYSA-N	321.299	1.783	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)CCCc2ccccc2)[nH]1	857109607	OGHKKZIGRIDORE-UHFFFAOYSA-N	300.362	1.810	50	20	DDGD	
O=C(C[C@@H]1CSCCS1)NNC(=O)c1cccc(F)n1	856422657	AXBLNBWSCKQHJW-MRVPVSSYSA-N	315.395	1.220	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H]1CCCN1Cc1ccccc1	854926022	PYKOWNFRBUJUPW-ZDUSSCGKSA-N	306.435	1.118	50	20	DDGD	
CCCCN(C)CCNC(=O)NNc1ncc(Cl)cn1	856863042	KMAQNEGTEVQKMW-UHFFFAOYSA-N	300.794	1.488	50	20	DDGD	
CC[S@@](=O)CCNC(=O)NNc1c(F)cc(F)cc1F	920085207	USMKTIZPEJWWJW-HXUWFJFHSA-N	309.313	1.499	50	20	DDGD	
COCCOCCCNC(=O)NC[C@@]1(C)C[C@@H]1Br	856857763	JUGNUTKPYMCWCI-CMPLNLGQSA-N	323.231	1.512	50	20	DDGD	
Cc1cnn(CCC(=O)NC[C@]2(C)C[C@H]2Br)c1	857399557	RTNCDPYTHVQYBG-PWSUYJOCSA-N	300.200	1.871	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cc(C(F)(F)F)n[nH]1	855089657	AEISIOIYGDDATB-UHFFFAOYSA-N	321.328	1.338	50	20	DDGD	
C[C@H]1CCCN(CC(=O)NNC(=O)c2cccc(C#N)c2)[C@H]1C	756530218	CCMZNXACZQOHSG-STQMWFEESA-N	314.389	1.440	50	20	DDGD	
Cn1cc(NC(=O)NNC(=O)Cc2ccc(Cl)cc2)cn1	755492826	KRUOCSIBRQOHOO-UHFFFAOYSA-N	307.741	1.469	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NN=CC1CCOCC1	755540823	SMDFGNHTECKWRU-UHFFFAOYSA-N	307.306	1.502	50	20	DDGD	
O=C(Cn1cc(C2CC2)cn1)NNc1nc(O)c2ccccc2n1	857150424	DIMUEMDWDSMHMA-UHFFFAOYSA-N	324.344	1.553	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](C)Oc1cc(C)ccc1Cl	854925352	DZADJEHMORNTGJ-VIFPVBQESA-N	315.826	1.883	50	20	DDGD	
CC[C@H](C)N(CC)CC(=O)NNC(=O)Cc1nc(C)cs1	852293562	OGKMUQZNKGPLCC-NSHDSACASA-N	312.439	1.262	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cnc2n1CCCCC2	857724083	GGWIHJPJPIQINW-UHFFFAOYSA-N	321.450	1.519	50	20	DDGD	
C[C@@H]1CCN(S(=O)(=O)NC[C@]2(C)C[C@@H]2Br)C1	856754786	NGVGYBYVJKPQHU-UTLUCORTSA-N	311.245	1.336	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2nc3ccccc3n2C)ccn1	755710094	UYIJULKDEAVLRF-UHFFFAOYSA-N	322.372	1.798	50	20	DDGD	
COc1cc(F)c(NC(=O)NNC(=O)c2ccccn2)cc1F	758148323	CEZYWSINHIGYLH-UHFFFAOYSA-N	322.271	1.835	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)c2cc(C)[nH]n2)C[C@@H]1C	758119688	UACAPLOTFCFANB-CABZTGNLSA-N	306.366	1.803	50	20	DDGD	
COCCCOc1cccc(C=NNC(=O)c2cc(C)[nH]n2)c1	764793335	LMWGDFYAOAIRHN-UHFFFAOYSA-N	316.361	1.897	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCCOc1cccnc1	866790506	SVZDFPCNALASNF-UHFFFAOYSA-N	306.815	1.645	50	20	DDGD	
COCCCNC(=O)NN=C(CCOC)C1CCOCC1	764904132	ITNOIBQUUMFWIB-UHFFFAOYSA-N	301.387	1.141	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc2ccncc12	764086890	XAPNVUVZZFEUHA-JTQLQIEISA-N	314.345	1.367	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cnc(CC(C)C)s2)n[nH]1	935139682	CUHXMAAUDFGWOF-UHFFFAOYSA-N	307.379	1.448	50	20	DDGD	
CCOC(=O)C1(S(=O)(=O)NCCSSC)CCC1	867243113	RONYBFCBXIEJCJ-UHFFFAOYSA-N	313.466	1.403	50	20	DDGD	
CC[C@](C)(NC(=O)NNC(=O)c1c[nH]nc1C)C(F)(F)F	933514825	GJSCBAJITXDDDO-JTQLQIEISA-N	307.276	1.393	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1nc(Cl)ccc1F	760153976	NELNVABYVMEPRM-UHFFFAOYSA-N	307.676	1.297	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)NC1CCCC1)c1ccccc1F	760201245	RDFZLDJDJREQJA-MRXNPFEDSA-N	323.368	1.960	50	20	DDGD	
C[C@H](NNC(=O)CNC(=O)CCC1CCCC1)C(F)(F)F	862311383	DRTRCNWJJZYSDA-VIFPVBQESA-N	309.332	1.645	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1)c1cscn1	767900767	WVHFFBOQTTZNKE-IJLUTSLNSA-N	324.450	1.729	50	20	DDGD	
CC(=O)OCC(C)(C)CC(=O)NNCC(F)(F)C(F)(F)F	863097012	BURIVCFWBYOFEH-UHFFFAOYSA-N	320.258	1.784	50	20	DDGD	
Cc1ccc([C@H](C)[C@H](O)C(=O)NNC(=O)NC2CCCC2)cc1	764908248	HDIRRUCCDFCZDN-WFASDCNBSA-N	319.405	1.732	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H](C)n2ccnc2)cc1	1116937124	VXIXFUWZEKNVPN-SNVBAGLBSA-N	303.322	1.306	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)COc2ccc(C)c(C)c2)C1	875906002	FQGBHICHBSSDFE-MQMHXKEQSA-N	321.377	1.190	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)/C=C/[C@@H]2CCOC2)c1	874952064	LLQWXXFRWUSECC-KTRBRXNASA-N	315.398	1.578	50	20	DDGD	
C[C@@H]1C[C@H]1CNC(=O)NNC(=O)c1nc2ccccc2s1	872826461	YAIQJOBSQAGTKF-BDAKNGLRSA-N	304.375	1.896	50	20	DDGD	
CSSCCNC(=O)N1C[C@@](C)(CO)[C@@](C)(CO)C1	875570098	WTZAJYMHAQNPTF-TXEJJXNPSA-N	308.469	1.020	50	20	DDGD	
Cc1ncncc1C(=O)NNC(=O)c1cc(Cl)ccc1O	1115853358	ZWZKHRNCWGYTGW-UHFFFAOYSA-N	306.709	1.219	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc(N2CCOCC2)cn1	772414058	OCQWWXHXKYQHJF-UHFFFAOYSA-N	321.381	1.117	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1nc(-c2cccc(F)c2)no1	775738614	ACTFELJGIIMBPT-FLIBITNWSA-N	316.292	1.936	50	20	DDGD	
CC[C@]1(C)COCCN1CC(=O)NNC(=O)c1cccs1	777713406	QBACMIXERMWUOF-CQSZACIVSA-N	311.407	1.010	50	20	DDGD	
COC(=O)CNC(=O)NN=C1c2ccccc2-c2ccccc21	779826990	SLFKPJPNIQVUAZ-UHFFFAOYSA-N	309.325	1.892	50	20	DDGD	
COc1cc(C=NNC(=O)c2cccn2C)ccc1[N+](=O)[O-]	770595777	HBJGIALZTGAOGP-UHFFFAOYSA-N	302.290	1.706	50	20	DDGD	
COc1cc(F)cc(OC)c1C=NNC(=O)[C@@H]1CCO[C@H]1C	872383829	JBNUUWAONKLJTR-GXSJLCMTSA-N	310.325	1.718	50	20	DDGD	
CCc1cccc(NC(=O)C(=O)NNc2nccc(OC)n2)c1	773724917	XKRNVQIZMXZIQU-UHFFFAOYSA-N	315.333	1.129	50	20	DDGD	
COC(=O)CCCC(=O)NNC(=S)Nc1ccc(C)c(C)c1	873763527	XKYJAMBZPFBNQN-UHFFFAOYSA-N	323.418	1.964	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@](C)(OC)C2CC2)cn1	874955819	WZRRZABKFXAOEO-CQSZACIVSA-N	324.406	1.223	50	20	DDGD	
COC(C)(C)CNC(=O)NNc1cccc(S(C)(=O)=O)c1	776620052	DHBJCMYFVKAKID-UHFFFAOYSA-N	315.395	1.141	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H](OC)CCN1C[C@@H](C)CBr	770669382	VHNXTIDBKTVQSA-DCAQKATOSA-N	308.216	1.670	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)OCc1ccccc1	772003409	WRQYVZFAQHTCPH-VXGBXAGGSA-N	322.361	1.081	50	20	DDGD	
C[C@H](CBr)COC(=O)[C@@H](C)CS(C)(=O)=O	770390015	GBMYBNYCSNHSNV-SFYZADRCSA-N	301.202	1.241	50	20	DDGD	
CC(C)C(=O)NN=Cc1c(Cl)cccc1S(C)(=O)=O	773189953	AWAUYSOOPUHNFZ-UHFFFAOYSA-N	302.783	1.850	50	20	DDGD	
OC[C@H]1CCCN1Cc1cn(/C=C\CBr)nn1	881294697	AISZTDLHJDWZAG-WPPTZLTKSA-N	301.188	1.100	50	20	DDGD	
O=C(NC[C@@H]1Cc2ccccc21)NNC(=O)C1CCOCC1	883181286	XLNBXGAFYROYEG-ZDUSSCGKSA-N	303.362	1.083	50	20	DDGD	
Cc1cnn(CCC(=O)NNC(=O)c2ccc(C)c(O)c2)c1	882048836	UIKIRVCYEKZDRZ-UHFFFAOYSA-N	302.334	1.057	50	20	DDGD	
O=C(NC[C@H]1CCN(C2CC2)C1)NNc1ncncc1Cl	780999298	CMYHUZRFBFUOQS-SECBINFHSA-N	310.789	1.240	50	20	DDGD	
Cc1c[nH]cc(C(=O)NNC(=O)c2ccc(Cl)cc2F)c1=O	781429924	VUXDVQNKTBSXIZ-UHFFFAOYSA-N	323.711	1.551	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2nc(C)c(C)s2)nc1	789745826	JHVBJXIEJSFBPW-UHFFFAOYSA-N	321.362	1.245	50	20	DDGD	
Cc1nn(C(C)(C)C)c(C)c1C(=O)NNC(=O)C1CCOCC1	883062247	VLCNSYFWYYHFIE-UHFFFAOYSA-N	322.409	1.443	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@H](NS(=O)(=O)CBr)C1(C)C	782476871	IFYKRNHCTOFHCV-GJMOJQLCSA-N	300.218	1.318	50	20	DDGD	
O=C(CC[C@H]1CC1(Cl)Cl)NNC(=O)C1CCOCC1	883071584	GMJOEYUDRGKLTP-VIFPVBQESA-N	309.193	1.534	50	20	DDGD	
COc1ccc(C=NNC(=O)Cc2cn3ccccc3n2)cn1	780229696	GVKOWYYOSCVWPO-UHFFFAOYSA-N	309.329	1.431	50	20	DDGD	
COc1cc(NNC(=O)NC[C@@H]2COCCO2)ccc1Cl	788892684	XZDYBHLKHGUEDI-SNVBAGLBSA-N	315.757	1.390	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)COc1c(C)nn(C)c1C	788185480	ZASALCULMNYDML-UHFFFAOYSA-N	322.340	1.707	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1	1121966281	WDRUCDXMIQKBTN-ZPVXYNJMSA-N	321.421	1.520	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc2cnccc2c1	782243545	YWQFDRKVUKEFAN-GFCCVEGCSA-N	301.346	1.736	50	20	DDGD	
Cc1cccc(F)c1NC(=O)C(=O)NNc1ncncc1Cl	782165559	INUPATGYOFINBA-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@@H]1CCC(=O)c2ccccc21	785723524	XAKWNLMNHXHYJQ-CYBMUJFWSA-N	311.341	1.546	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1noc2c1CCCCC2	899996302	RHVHQJZQHYJJRS-UHFFFAOYSA-N	310.423	1.851	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)C(C)(C)C)C[C@]2(CCO[C@@H]2C)O1	790508367	IDCBICPBBHHQNX-HFAKWTLXSA-N	313.398	1.042	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNc1nc2ccccn2n1	791258924	UUDAHHFOUDBYHQ-SNVBAGLBSA-N	315.308	1.779	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1nccn1-c1ccccc1	790162373	VZNPREBTBBIUCK-UHFFFAOYSA-N	305.341	1.960	50	20	DDGD	
COc1ccc(CC(=O)NNc2nccnc2C(C)C)nc1	790065708	PTGZYUVVGXIHEA-UHFFFAOYSA-N	301.350	1.689	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)N2CCOCC2)[C@@H](n2cncn2)C1	794500283	XKJKQEFYERZBPP-AAEUAGOBSA-N	306.370	1.037	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)C1=NO[C@@H](c2ccccc2)C1	791243876	SNJNAVXFJUSRBC-CYBMUJFWSA-N	322.328	1.690	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@H](CC)[C@H](C)O	790065125	JFFYCBUSAHTQQS-NWDGAFQWSA-N	324.377	1.019	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)C[C@@H]1CCCOC1	798125341	CWYONURSPZICBF-NSHDSACASA-N	323.418	1.830	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H](C)c1ccc(F)cc1F	1318704604	WJYZHTQFUHMPEO-SECBINFHSA-N	315.320	1.435	50	20	DDGD	
Cc1nc(N2CCOCC2)sc1C=NNC(=O)CC(C)C	1317703388	HMDXBQJPCSSAQN-UHFFFAOYSA-N	310.423	1.784	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccccc2Cl)c(C)nn1	1319664115	NJDHUEHTJNDVKC-UHFFFAOYSA-N	304.737	1.822	50	20	DDGD	
NC(=O)Cc1occc1C(=O)NNC(=O)c1ccccc1Cl	1322037588	WQWJPVPXJVWFNC-UHFFFAOYSA-N	321.720	1.036	50	20	DDGD	
Cn1ccc(NNC(=O)CCc2nnc(-c3ccsc3)o2)n1	1321105133	LFYNTKBTUBBSBC-UHFFFAOYSA-N	318.362	1.608	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2nc3c(s2)C[C@@H](C)CC3)n[nH]1	1324254592	WRSIMUIALVGTOJ-VIFPVBQESA-N	317.418	1.992	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2cnn3ccncc23)c1	1326850106	WZMNZWHPTGWYAV-UHFFFAOYSA-N	313.708	1.406	50	20	DDGD	
CC(=NNC(=O)CCO)c1cnn(-c2ccc(F)cc2)c1C	1339928851	LSBWUCNMKSOMBZ-UHFFFAOYSA-N	304.325	1.542	50	20	DDGD	
CC(C)[C@@H](C#N)C=NNC(=O)Cn1nnc(-c2ccccc2)n1	1253448697	IJAJUMHUELTPDO-ZDUSSCGKSA-N	311.349	1.238	50	20	DDGD	
C[N+](C)(C)CC(=O)NN=C(C[C@H]1CCOC1)c1ccc(F)cc1	1330193696	XMDXIJQFLCZJPK-CYBMUJFWSA-O	322.404	1.779	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCC[C@@H]1OC	1335949447	CYFKYWMEVIBHPE-NEPJUHHUSA-N	322.361	1.037	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H]2[C@@H](C)C2(F)F)c1	1347239068	KNUBWNJHDDNEFV-MFKMUULPSA-N	312.316	1.731	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CSCc1cccs1	1346069846	VPGJDJXKCJYQBH-ONGXEEELSA-N	314.432	1.554	50	20	DDGD	
CC(C)(CC(=O)NNc1ccncn1)NC(=O)OC(C)(C)C	1347885846	PPBSJZBNGUYCDT-UHFFFAOYSA-N	309.370	1.613	50	20	DDGD	
C[C@@H]1CCN(CCCI)[C@@H](C(=O)O)C1	1604752286	QKYDDLSLSYGJAX-RKDXNWHRSA-N	311.163	1.997	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)O)O1	1605827179	OPIWCFDREOWOOJ-MPKXVKKWSA-N	306.362	1.879	50	20	DDGD	
Cc1ccc(CC(=O)NNc2ccc(F)c(C(=O)O)c2)cn1	1600400080	OERAZBRLJONMPM-UHFFFAOYSA-N	303.293	1.913	50	20	DDGD	
N#Cc1ccc(NNC(=O)Nc2nc(CC(=O)O)cs2)nc1	1608208702	LLHPZTSMZSAVKH-UHFFFAOYSA-N	318.318	1.185	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)C(C)C)cc(C(=O)O)cc1[N+](=O)[O-]	1607546809	RBUMPGMBMYVRPF-UHFFFAOYSA-N	324.293	1.410	50	20	DDGD	
O=C(COCc1ccccn1)NNc1cccc(C(=O)O)c1	1608347790	CVUNUVYMMHGTCR-UHFFFAOYSA-N	301.302	1.440	50	20	DDGD	
O=C(CC[C@@H]1C[C@H](C(=O)O)CO1)NNc1ccc(Cl)nc1	1608314048	GWAOWZLBEWTUGA-WCBMZHEXSA-N	313.741	1.448	50	20	DDGD	
CC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)OC	1802389233	KFGRMNVKMAZFNI-UJPOAAIJSA-N	316.829	1.677	50	20	DDGD	
CC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](F)Cl)sc2C1	1817117252	JJEGDQKBGRIZRI-IMTBSYHQSA-N	305.762	1.609	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC[C@H]1C(=O)O)c1cccc2cccnc12	1574579088	TZZMYEZZTMRTAI-WDEREUQCSA-N	313.313	1.107	50	20	DDGD	
C[C@@H](C(=O)NNC(=S)NC(C)(C)C)[C@H](N)c1ccccc1	1575070770	DCYJCWGJAUHSOB-PWSUYJOCSA-N	308.451	1.616	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CCCCCN1	1576295751	TWTYAJXJJPWJQE-WCQYABFASA-N	323.368	1.273	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C2(C(=O)O)C(C)(C)C2(C)C)n1	1574181924	MDLPAMRYISWVRL-UHFFFAOYSA-N	322.365	1.374	50	20	DDGD	
C[C@@]1(C(=O)NCC2(C(=O)O)CCOCC2)C[C@@H]1Br	1593754259	UPNYRGMGJVTBDU-GZMMTYOYSA-N	320.183	1.158	50	20	DDGD	
C[C@](Cn1cccn1)(NC(=O)C1CCC(Cl)CC1)C(=O)O	1592916548	HWRBBQDCAWYUHA-QIMFLAQGSA-N	313.785	1.640	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1	5579082	LZQFPIROIWQBDQ-OAHLLOKOSA-N	312.325	1.596	50	20	DDGD	
CC(=O)c1ccc(OCCCC(=O)NNC(=O)C2CC2)cc1	15794236	RRVRRLQWLUHSSX-UHFFFAOYSA-N	304.346	1.606	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=O)c1ccncc1	163051266	UDLSYVBHKZPRLI-UHFFFAOYSA-N	315.289	1.765	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)COc2ccccc2)n1	155790417	DFPFRQHWQZITQQ-UHFFFAOYSA-N	315.377	1.845	50	20	DDGD	
Cc1ccc([C@H](O)CNS(=O)(=O)CCCCCl)cc1	154312988	BXTRUNYAMPPCNI-CYBMUJFWSA-N	305.827	1.967	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccn(C2CCCC2)n1	159257159	NCPACGWQRXDBLY-UHFFFAOYSA-N	313.361	1.397	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(C(F)(F)F)cc1	109859336	BIONOGYTTVYIDX-UHFFFAOYSA-N	312.251	1.812	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H]1CCCN(Cc2ccccc2)C1	57139175	XJPXDADLTKCDHT-CQSZACIVSA-N	305.378	1.676	50	20	DDGD	
Cc1nn(C)cc1C(=O)NNC(=O)NCc1ccc(Cl)cc1	113462265	WPWCJQCXMTUKSO-UHFFFAOYSA-N	321.768	1.526	50	20	DDGD	
C=CCc1ccc(OCC(=O)NNc2cccnn2)c(OC)c1	172366630	SZVSVQZYXWJKMW-UHFFFAOYSA-N	314.345	1.736	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	176121743	OWIPASLSJDTXGD-UHFFFAOYSA-N	321.340	1.855	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1csc(-c2ccc(C)o2)n1	65189886	JQLZXGCQPJIZPB-UHFFFAOYSA-N	308.363	1.604	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1ccc(OCC#N)cc1	110663767	XLJJOHCPNSXNPN-UHFFFAOYSA-N	304.350	1.262	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@@H]1CCCOC1	171026629	ZENSDNCZTYUWAC-SECBINFHSA-N	312.753	1.536	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)c(F)c1)NNc1ccnc(F)c1	119844757	AGTJMFRFWFYNNC-UHFFFAOYSA-N	324.262	1.372	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Cc2ccccc2OC(F)F)cn1	118230350	WYGZRWXFKWVGLE-UHFFFAOYSA-N	324.287	1.025	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cc(OC)cc2c1O[C@H](C)C2	170851367	TXFUKOMNLDCHOZ-LLUUXILJSA-N	316.357	1.688	50	20	DDGD	
Cc1cnc(NC(=O)NNC(=O)COCc2ccccc2)s1	172641638	VZNLZLKVPINVKL-UHFFFAOYSA-N	320.374	1.821	50	20	DDGD	
Cc1cc(F)ccc1-n1cc(C(=O)NNc2cnccn2)nn1	179391845	QWMWIJGENPMIFK-UHFFFAOYSA-N	313.296	1.262	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNC(=O)c1cccc(Cl)c1	170916320	BPHMRTZKZKJCMK-CYBMUJFWSA-N	309.797	1.975	50	20	DDGD	
CCc1n[nH]c(=O)c(C(=O)NNc2cccc(C)c2)c1CC	125767333	NJEZDEIUBSWKFL-UHFFFAOYSA-N	300.362	1.960	50	20	DDGD	
COC(=O)[C@@H](O)C1CCN(/C(=C/C#N)c2ccccc2)CC1	305187951	CMBJBMBQFBOBCW-NHKNYXOTSA-N	300.358	1.797	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccc(F)cc1)Cc1ccsc1	128400908	BLTODTZUJNAYMP-UHFFFAOYSA-N	321.377	1.780	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2cncc(Cl)n2)cc1F	128278391	ICWMYMOTXPUGKA-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1cccnc1-n1cncn1	181817205	JIFWIOXJQUKVSO-UHFFFAOYSA-N	323.316	1.129	50	20	DDGD	
CCCN1CCC[C@H]1C(=O)NNC(=O)c1ccc(Cl)cc1	123820022	AWWIKLKXCGFCGT-ZDUSSCGKSA-N	309.797	1.975	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1cnc2c(c1)nnn2C	183425202	ZVPIJYNIYTZYQM-UHFFFAOYSA-N	300.297	1.568	50	20	DDGD	
Cc1ccc(-c2cnc(CCC(=O)NN(C)C(N)=O)o2)cc1	181069767	JBGZVYMDWMFVPZ-UHFFFAOYSA-N	302.334	1.624	50	20	DDGD	
CCOCCC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	76839743	GIHGBNSHUSZDCX-CYBMUJFWSA-N	308.378	1.645	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NNC(=O)c1c[nH]nc1C	121663821	MSPRQSIQZGLALH-VHSXEESVSA-N	304.375	1.653	50	20	DDGD	
CC[C@H]1C[C@@H](C(=O)NNC(=O)Cc2ccc(F)cc2)CCO1	183432989	UWJGPINGWWGBMF-JSGCOSHPSA-N	308.353	1.721	50	20	DDGD	
CN(NC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1)C(N)=O	181092716	CHSQLCJKOOQNKM-UHFFFAOYSA-N	316.239	1.722	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccc(Cl)cn2)cc1	76989711	DLPJTMPCRJVQDZ-UHFFFAOYSA-N	318.764	1.917	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc(N2CCC(C)CC2)cc1	185961781	PTBXSQUDJFOCHE-UHFFFAOYSA-N	318.377	1.029	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)C(C)(C)C)cc1Cl	77708757	STDYVWUBLLYLEO-UHFFFAOYSA-N	320.798	1.704	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1cnn(CC(F)F)c1	182996094	DPKRETDTAAXVSI-UHFFFAOYSA-N	305.285	1.709	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2n[nH]c3c2CCCC3)o1	188966103	BWAGPYBDJRSPOO-UHFFFAOYSA-N	302.334	1.194	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cccc(N(C)C(C)C)c1	185234507	GPVVFUIEJPXBRT-UHFFFAOYSA-N	308.382	1.720	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)Cc1cc[nH]n1)c1ccc(F)cc1F	186110211	WGJZBGAPYKQVHN-SECBINFHSA-N	322.315	1.572	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2cncc(Cl)n2)CN1C1CC1	130341832	XXVADOHRVPEVPM-DTWKUNHWSA-N	310.789	1.381	50	20	DDGD	
O=C(NCCCOCC1CC1)NNC(=O)c1ccccc1F	45131463	SZUKIEKPOHRWNI-UHFFFAOYSA-N	309.341	1.586	50	20	DDGD	
COCc1cccc(CC(=O)NNc2ncnc3nc[nH]c23)c1	188285912	XXBGEESCVAOLCF-UHFFFAOYSA-N	312.333	1.185	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCc2ccc(F)cc2C1	134021319	PYJSETUZACNBSK-LBPRGKRZSA-N	321.396	1.766	50	20	DDGD	
CC(C)C[C@@H](C)OCCC(=O)NNC(=O)Cc1cccnc1	87249426	XTOXCAOGTQZCJG-CYBMUJFWSA-N	307.394	1.613	50	20	DDGD	
O=C(NNC(=O)c1ccc([N+](=O)[O-])s1)NC1CCCCC1	192747897	GJPRVYNMYHXHGK-UHFFFAOYSA-N	312.351	1.933	50	20	DDGD	
O=C(NNc1ccc(Cl)c(F)c1)C(=O)Nc1cccnc1	131054854	IYMMFDAWVORGGP-UHFFFAOYSA-N	308.700	1.956	50	20	DDGD	
Cc1nn(CC(C)C)c(C)c1CCC(=O)NNC(=O)C(C)(C)O	190059060	ZHLFMACNOXAGSK-UHFFFAOYSA-N	324.425	1.007	50	20	DDGD	
COCCOc1ccc(CC(=O)NNc2ccnc(F)c2)cc1	192205842	BRSVCHRSDOYLNJ-UHFFFAOYSA-N	319.336	1.932	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)C1(Cc2ccccc2Cl)CC1	192928767	AATQMRLQPHBBNQ-UHFFFAOYSA-N	310.781	1.581	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2)n1	237285996	WAEUQBRUZZAPGW-SRVKXCTJSA-N	305.382	1.157	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1	247349382	OVTVFNIFMSBWJO-IHRRRGAJSA-N	322.453	1.580	50	20	DDGD	
O=C(NN=Cc1ccc(O)cc1O)c1cccc([N+](=O)[O-])c1	254813278	XHRHMMOBXWGCGS-UHFFFAOYSA-N	301.258	1.770	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1	264785192	QYLRSXIQICDLPW-UHFFFAOYSA-N	318.333	1.730	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCCC1CCCCC1	264172580	ZKAONBWQCALNAG-UHFFFAOYSA-N	304.394	1.925	50	20	DDGD	
COC(=O)c1[nH]c(C)c(C(=O)NNC(=O)NC2CCCC2)c1C	269318474	KYKVRGMKWVIJLQ-UHFFFAOYSA-N	322.365	1.305	50	20	DDGD	
CCn1c(NNC(=O)C(=O)C(C)(C)C)nc2ccccc2c1=O	265064746	RTCYOZWLUOULMQ-UHFFFAOYSA-N	316.361	1.475	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cc(C(C)C)no2)c1O	264988000	GEKCWJKWKPWKCW-UHFFFAOYSA-N	319.317	1.587	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)C[C@@H]1CCc2ccccc2C1	266950549	HHIKZNWAAOPGJF-OAHLLOKOSA-N	323.396	1.967	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)c2cc(C)n[nH]2)c1CC	277345759	NNSSVIVTVHJPHH-UHFFFAOYSA-N	318.381	1.352	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(OC)nc1Cl	273507525	ZTQACJAIYFJDIL-ZETCQYMHSA-N	300.746	1.942	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@]2(C)CCO[C@@H]2C2CC2)o1	368769544	HRIDJGCMOWGGOD-CJNGLKHVSA-N	321.377	1.737	50	20	DDGD	
COc1ccc(COCCCC(=O)NNC(=O)NC2CC2)cc1	270463511	RYGLHBFICQNGNM-UHFFFAOYSA-N	321.377	1.485	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@@H](C)COCC(F)(F)F	276696469	MEKHSGPKDONVCL-VIFPVBQESA-N	306.288	1.984	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCN1CCOCC1(C)C	276721119	SOJYSGBUMMTSBS-UHFFFAOYSA-N	307.398	1.127	50	20	DDGD	
CN(C)c1cccc(CN(C)S(=O)(=O)CBr)c1	272752216	AMIXTWSHJWBMKY-UHFFFAOYSA-N	321.240	1.867	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H]1C(=O)NNc1nccnc1C1CCC1	287215747	OEPGDIYPKOVBSU-GHMZBOCLSA-N	304.350	1.386	50	20	DDGD	
CC(C)CC(=O)NCCC(=O)NNc1nccnc1C1CCC1	286875371	DUQQUIRRDOISIT-UHFFFAOYSA-N	319.409	1.740	50	20	DDGD	
CC(C)(C)OC(=O)C1=NO[C@H](C(=O)NNc2ccc(F)cc2)C1	280814311	QYJQRNQVMRJCNV-LBPRGKRZSA-N	323.324	1.755	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1C[C@]12CCOC2)c1ccccc1	376924582	IBYQWFQGVNEROZ-ZQIUZPCESA-N	302.374	1.754	50	20	DDGD	
CC1=C(C(=O)NNC(=O)CCc2ccccc2O)SCCO1	287731224	VOJXGYSYEOBWEA-UHFFFAOYSA-N	322.386	1.467	50	20	DDGD	
CCN(CC)CCSCC(=O)NNc1cccc(F)n1	286529130	HTNCDVXSORUFSX-UHFFFAOYSA-N	300.403	1.739	50	20	DDGD	
C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)Nc1ccccc1	283749288	KJOSNOTZKZTVTQ-JTQLQIEISA-N	306.366	1.390	50	20	DDGD	
Cn1ccc(CC(=O)NNC(=O)Nc2cc(F)cc(F)c2)n1	802004461	FPVYIQHVGNDYBO-UHFFFAOYSA-N	309.276	1.094	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1	808073351	IZIVZEUQLUWQDO-ROKHWSDSSA-N	311.426	1.023	50	20	DDGD	
CO[C@H]1COC[C@@H]1NC(=O)NNc1cc(F)c(F)c(F)c1	291536971	UDTHNVZUMDRXBV-UWVGGRQHSA-N	305.256	1.144	50	20	DDGD	
CC[C@H](C)[C@@H](C)NC(=O)NNC(=O)COc1ccccc1OC	299160522	KECZSAZQHYFIEQ-NWDGAFQWSA-N	323.393	1.839	50	20	DDGD	
O=C(CN1CCCCCCC1=O)NNc1cccc(Cl)n1	293632301	GOCIMRBSZOPCDW-UHFFFAOYSA-N	310.785	1.971	50	20	DDGD	
CC1CCN(C(=O)C(=O)OC[C@H](C)CBr)CC1	805568750	ZNABWIRSBQFBFE-SNVBAGLBSA-N	306.200	1.819	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Cc2ccc3c(c2)CCCC3)O1	294116740	FOUHPLYZCVHXEQ-LRDDRELGSA-N	316.401	1.823	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccccc1S[C@H](C)C(N)=O	801140166	CSCRELGOZGROKZ-SECBINFHSA-N	324.406	1.007	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)CCO1	802097805	UGYARHQNRHKRIU-VHSXEESVSA-N	321.333	1.383	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@H]1CCCCO1)c1cccc(F)c1	295569426	NMGWHYKJNJZSTE-CYBMUJFWSA-N	308.353	1.820	50	20	DDGD	
O=C(CCc1ccc(Cl)cc1)NNC(=O)N=c1cc[nH]cc1	802030030	YTVLBMLTFQCBOO-UHFFFAOYSA-N	318.764	1.942	50	20	DDGD	
CCn1cc(CNC(=O)NNC(=O)c2cccc(Cl)c2)cn1	805822346	LRQJCSDKRDSBTE-UHFFFAOYSA-N	321.768	1.701	50	20	DDGD	
CCCNC(=O)CCC(=O)NNC(=O)Nc1ccc(OC)cc1	802065341	WLNXCPNWWKXMBP-UHFFFAOYSA-N	322.365	1.154	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNc1ncncc1F)c1ccsc1	292458018	OMLQVHSQDISPRO-NSHDSACASA-N	324.385	1.606	50	20	DDGD	
Cc1nccn1CC(=O)NNC(=O)CCCc1ccccc1	297589141	FCSFZSKKYIPLDR-UHFFFAOYSA-N	300.362	1.362	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)C[C@@H]1CCCC(=O)N1	809143455	UECQSQIWHVJHLN-LBPRGKRZSA-N	323.780	1.089	50	20	DDGD	
O=C(NNC(=O)c1ocnc1C1CC1)c1ccc(Cl)nc1	809612407	LEIBMVHJNMTZCM-UHFFFAOYSA-N	306.709	1.675	50	20	DDGD	
CC(=O)c1ccc(CC(=O)NNC(=O)NC2CCCC2)cc1	299316821	FERLZLGFODQHCL-UHFFFAOYSA-N	303.362	1.705	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)c1ccc(OC)cc1	293805954	DCKNPUZUAGAOLL-GLQYFDAESA-N	320.389	1.904	50	20	DDGD	
O=C(CCn1ccc2ccccc21)NNC(=O)[C@H]1CCCCO1	295256781	AUDZOQYBMUKSDV-OAHLLOKOSA-N	315.373	1.748	50	20	DDGD	
Cc1ccc(NNC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1	298204260	XQXCUBNICZCKPA-OKILXGFUSA-N	315.373	1.613	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H](O)c1ccc(Cl)cc1F	813425385	HQPPNNYLCIRACY-SNVBAGLBSA-N	303.721	1.253	50	20	DDGD	
C[C@@H]1C(=NNC(=O)C(=O)N2CCCC2)CC[C@@H](C(=O)O)C1(C)C	814824919	PZZDRDLGCJZKSS-MNOVXSKESA-N	323.393	1.238	50	20	DDGD	
CO[C@](C)(CNC(=O)NNC(=O)c1ccccc1O)C1CC1	813203858	YFHJZKLZVNGVRQ-OAHLLOKOSA-N	307.350	1.151	50	20	DDGD	
CN(NC(=O)[C@@H]1CCc2nnc(-c3ccccc3)n2C1)C1CC1	819653144	IIWGOYGGZHQEKK-CYBMUJFWSA-N	311.389	1.633	50	20	DDGD	
C[C@]1(CNC(=O)NNc2ncncc2F)CCO[C@H]1C1CC1	814320840	GSQQUCXTCBZHLS-SMDDNHRTSA-N	309.345	1.447	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(-c2ccccn2)cc1	810331271	JXBXJDCTAKKYMY-UHFFFAOYSA-N	314.345	1.938	50	20	DDGD	
COc1cc(CC(=O)NCCCSC#N)cc(OC)c1O	819698643	JPVJTHCLBUDLKX-UHFFFAOYSA-N	310.375	1.672	50	20	DDGD	
Cn1ncc(C=NNC(=O)CCOc2ccccc2)c1Cl	814823840	YLAUXLXSSUYKSD-UHFFFAOYSA-N	306.753	1.993	50	20	DDGD	
CCn1ccnc1C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	813574999	MABDNEFRPOYKEP-UHFFFAOYSA-N	316.365	1.436	50	20	DDGD	
COc1ccc(NNC(=O)c2cccc(CO)c2)c([N+](=O)[O-])c1	813487392	KYBQWWSQSKVTEE-UHFFFAOYSA-N	317.301	1.853	50	20	DDGD	
Cn1cnnc1SCc1ccc(C(=O)NN=C2COC2)cc1	814702420	RVCDYVKKVJOGPZ-UHFFFAOYSA-N	317.374	1.223	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)c2cccn2C)c(F)c1	729665619	GUICLSKXSRSMKN-UHFFFAOYSA-N	311.338	1.096	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2cncn2C1)c1ccccc1F	816814108	IIDYSWQTXLYBRP-SNVBAGLBSA-N	302.309	1.046	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc(N2CCOC2=O)c1	492129165	DFOANKLJNQYPNC-UHFFFAOYSA-N	321.337	1.341	50	20	DDGD	
C[C@@H]1CCC[C@H](NCC(=O)NNC(=O)c2cccs2)[C@@H]1C	727105522	SREPRDHHGQWYFX-UTUOFQBUSA-N	309.435	1.923	50	20	DDGD	
COCC1(CCNC(=O)/C(C#N)=C/c2cnn(C)c2)CCC1	491107752	WLVXANQQINBMLG-RIYZIHGNSA-N	302.378	1.650	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CCNC(=O)C1CCCCC1	491016288	SBGXZTIRRCZKRJ-UHFFFAOYSA-N	313.398	1.629	50	20	DDGD	
CCOC(=O)NNC(=O)C1CCC(OC[C@H]2CCCO2)CC1	496862698	FKXNDWHSKHBEIU-WXRRBKDZSA-N	314.382	1.518	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cc(F)ccc1O	826447279	XVRZHEHUIKXXLU-UHFFFAOYSA-N	314.280	1.468	50	20	DDGD	
Cc1ccc(NNC(=O)c2sccc2-c2nn[nH]n2)cc1	826291341	AUINGAWKSUDIHA-UHFFFAOYSA-N	300.347	1.994	50	20	DDGD	
CC(C)(C)OC(=O)NNS(=O)(=O)c1cccc2c1OCC2	496631005	GGOHLDOIYCLOCV-UHFFFAOYSA-N	314.363	1.340	50	20	DDGD	
CCOCC(C)=NNC(=O)c1nn(CC)c(=O)c2ccccc12	726417286	BXHSQMFWDRHNMT-UHFFFAOYSA-N	316.361	1.559	50	20	DDGD	
Cn1nc(C(F)(F)F)cc1NC(=O)NNC(=O)CC1CC1	826135785	RNYKOISUDGCAGZ-UHFFFAOYSA-N	305.260	1.392	50	20	DDGD	
COc1ncc(/C=C/C(=O)NNC(=O)c2ccccc2C)cn1	492641187	BZXJUWBYOOXRFF-BQYQJAHWSA-N	312.329	1.268	50	20	DDGD	
CC(C)[C@H](NCc1cccc(B(O)O)c1)[C@H](O)c1ccccc1	585039538	WQLVBBJQEDJDDC-ZWKOTPCHSA-N	313.206	1.214	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC[C@]1(C)Cc1ccccc1	828912408	YNQBXLGXAUXHAD-GOSISDBHSA-N	317.433	1.887	50	20	DDGD	
CC(C)(C)c1cnc(NC(=O)NNC(=O)c2cc[nH]n2)s1	821438862	UBXSMFAXPVNFSB-UHFFFAOYSA-N	308.367	1.630	50	20	DDGD	
O=C(NNc1ccccc1)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F	821143245	KBUKEASUEMOFSE-ZJUUUORDSA-N	322.308	1.353	50	20	DDGD	
OB(O)c1cccc(CNc2ccc(N3CCCCC3)nc2)c1	585033664	IQBLRASVXKTMRC-UHFFFAOYSA-N	311.194	1.364	50	20	DDGD	
O=C(Cc1cccc(-c2nn[nH]n2)c1)NNc1cccc(F)c1	826423180	BSCYWCYRYQJTLX-UHFFFAOYSA-N	312.308	1.692	50	20	DDGD	
CCN1CCN(CCC(=O)NNc2ccc(F)cc2F)CC1	733362961	CCIIQARUVZIKBK-UHFFFAOYSA-N	312.364	1.436	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)C(C)(C)c2ccccc2)nc1	731173756	WNWCVPWTCWNWII-UHFFFAOYSA-N	307.353	1.802	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cnc(-c2ccccc2)[nH]1	736067051	ADCQZLDFSJWWIL-UHFFFAOYSA-N	309.329	1.490	50	20	DDGD	
CC(C)CN1CCN(C(=O)[C@]2(C)C[C@@H]2Br)CC1=O	907542329	YWKSWDQVWXSHLI-GXFFZTMASA-N	317.227	1.487	50	20	DDGD	
CC[C@H](NCc1ccccc1B(O)O)c1ccc(F)cc1F	585029426	RFXLCDVXQKFHRU-INIZCTEOSA-N	305.133	1.886	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC(OCCO)CC1	491160315	KWCGVMSRKNBZTE-KAMYIIQDSA-N	316.357	1.299	50	20	DDGD	
CO[C@@]1(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)CCOC1	491051430	SPBGPUZUNPRENP-LPDYGMJQSA-N	302.330	1.221	50	20	DDGD	
O=[N+]([O-])c1ccc(N2CC[C@@H](B(O)O)C2)cc1OC(F)F	585073744	OOWSMZRQONDLDE-SSDOTTSWSA-N	302.042	1.249	50	20	DDGD	
CCC(CC)[C@@H](CCNCc1ccc(B(O)O)cc1F)OC	585029511	GHXRDNFTFNMYRA-MRXNPFEDSA-N	311.206	1.436	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc(F)c(F)c1	901966648	RCJRINHHYDCTKP-UHFFFAOYSA-N	302.302	1.078	50	20	DDGD	
C#CCOc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	831448432	XEEFOQNARZIUKK-RISCZKNCSA-N	317.345	1.276	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@H]1COc2ccccc2O1)C1CCC1	837310348	AMIIJLRBKYWHLE-IINYFYTJSA-N	304.346	1.410	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NC[C@]2(C)CCCO2)cc1	836354532	JBDMXGHHQPQCPR-HNNXBMFYSA-N	322.365	1.600	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc2c(c1)N[C@@H](C)CC(=O)N2	908113529	VCFJFOUNFWZKDJ-QMMMGPOBSA-N	306.322	1.172	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	730209552	YVZUROHSIWZSOS-NSHDSACASA-N	321.352	1.372	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cc(F)c(OC)c(F)c1	901854644	KVSMTDNTIAFGCQ-SSDOTTSWSA-N	322.333	1.329	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)C(F)F	836509581	UEIQKOFPBCIKEU-JTQLQIEISA-N	303.284	1.742	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1CCC(C)(C#N)CC1	834932665	JNJRZLBITBHNKT-JBZHPUCOSA-N	306.410	1.531	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCO[C@H](c3ccc(F)cc3)C2)o1	585035727	YELNQMWUKQVQKU-ZFWWWQNUSA-N	319.141	1.108	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@H](O)C(C)(C)C)c1C	735839102	YPUBDSVJQQXISM-JSGCOSHPSA-N	322.405	1.625	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccnc(F)c2)[C@@H]2CCCC[C@@H]2N1	831919250	XGWXXMXDOVTDPK-SRVKXCTJSA-N	306.341	1.359	50	20	DDGD	
O=C(NC[C@H]1CCOC2(CCC2)C1)NNC(=O)c1ccccc1	836205960	XSVPHJWBINAVGE-ZDUSSCGKSA-N	317.389	1.980	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cc(F)c(F)cc1F	831436866	NAKSEOGMQGVSCG-NKWVEPMBSA-N	317.267	1.682	50	20	DDGD	
COC1CCC(NC(=O)NNC(=O)c2ccccc2C)CC1	838757358	HBLUWLORYDGGKF-UHFFFAOYSA-N	305.378	1.897	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cc(C(=O)O)ccc1O	738858510	DPBIECQTNMEAIR-UHFFFAOYSA-N	320.330	1.201	50	20	DDGD	
CN(C(=O)c1ccc(B(O)O)c(F)c1)C1CC(C(C)(C)C)C1	585008337	MOXODOVNZYTUDT-UHFFFAOYSA-N	307.174	1.402	50	20	DDGD	
CC(C)C[C@@H]1CCCCCN1C(=O)c1ccc(B(O)O)cc1	584948231	AXHUDNFSBPONHI-INIZCTEOSA-N	303.211	1.797	50	20	DDGD	
C[C@@H]1C[C@@H]1c1ccc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)o1	732769055	AEFNUNBYDHSHCI-SCVCMEIPSA-N	310.375	1.288	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)c1ccc2c(c1)OCCO2	834937929	ZCYYCWUAQVWKBC-UHFFFAOYSA-N	315.333	1.142	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)N3CC[C@H](B(O)O)C3)on2)cc1	585074619	BPEVLEZHSJZFCD-LBPRGKRZSA-N	300.123	1.339	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C2CCC2)cc2c1O[C@H](C)C2	732143217	XHHQDMXOYDTRHI-SECBINFHSA-N	304.346	1.580	50	20	DDGD	
CC(C)CC[C@@H]1CCC(=NNC(=O)[C@H](C)NS(C)(=O)=O)C1	834955905	JKOSUCROJAUXRY-NWDGAFQWSA-N	317.455	1.633	50	20	DDGD	
O=C(CCOCC(F)F)NNc1cccc(Br)n1	837212595	SLINUJBGCZTBPY-UHFFFAOYSA-N	324.125	1.959	50	20	DDGD	
COC[C@@H](C)NC(=O)NNC(=O)Nc1ccc(Cl)cc1	836202065	ICYQHZJOHVCWMN-MRVPVSSYSA-N	300.746	1.711	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	831042293	QPWGKAFPPLELOU-GWCFXTLKSA-N	305.334	1.467	50	20	DDGD	
CC(C)NC(=O)CCNC(=O)NNc1c(F)cc(F)cc1F	914003584	NAXJEHXWVSHINM-UHFFFAOYSA-N	318.299	1.645	50	20	DDGD	
CCOc1ccc(O)c(C=NNC(=O)Cn2nc(C)cc2C)c1	916343179	OHVAEZGTJPKQIG-UHFFFAOYSA-N	316.361	1.755	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@@H]1CC[C@H](C)O1	838743952	HOSKCUPZICZPNX-QWRGUYRKSA-N	307.350	1.207	50	20	DDGD	
O=C(NN=Cc1cccc(C(F)(F)F)c1)C(=O)N1CCCC1	748137611	OVUMBYMPECSLSO-UHFFFAOYSA-N	313.279	1.778	50	20	DDGD	
N#Cc1cccc(C=NNC(=O)c2cc([N+](=O)[O-])ccc2O)c1	741770111	BYRQOEWHMQIIGA-UHFFFAOYSA-N	310.269	1.936	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2c[nH]cc2C)cc1C	917908754	VESRAYXEMFQNSG-UHFFFAOYSA-N	301.346	1.780	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ncccn1)[C@@H]1CCC[C@@H](C)C1	841587205	MZPWAPUECWMOEX-GRYCIOLGSA-N	305.382	1.635	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(F)ccc1Br	910178051	SKSRTUJBBIGPFG-ZETCQYMHSA-N	305.147	1.546	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCCCN1CCC(C)CC1	916503377	QJMPWZSPLDDHFB-UHFFFAOYSA-N	312.458	1.875	50	20	DDGD	
COc1cc(C(C)=NNC(=O)NCC2CC2)cc(OC)c1O	842525370	QKOVABGYXOEGJT-UHFFFAOYSA-N	307.350	1.843	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NC1CCCCCCC1	748614346	YZEMOYWABNBFIX-GFCCVEGCSA-N	315.414	1.481	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H]2Cc3ccccc32)cc1	740749496	BCOXTYWNIYKDGG-INIZCTEOSA-N	309.369	1.894	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1cc(C)c(O)c(O)c1	841628150	OHUAFPWCTULBGQ-LLVKDONJSA-N	310.350	1.298	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCc2ccccc2C1	845217153	WQHXMEMYZKMUGT-BXUZGUMPSA-N	318.373	1.281	50	20	DDGD	
CCn1cc(CN(CC(=O)NNC(=O)C(C)(C)C)C(C)C)cn1	844418406	TZIBHHZYLVUHDY-UHFFFAOYSA-N	323.441	1.307	50	20	DDGD	
CCC(CC)(CO)C(=O)NNC(=O)Cc1ccc(Cl)cc1	847290943	DXDZULHVRKAYLU-UHFFFAOYSA-N	312.797	1.829	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)CCc2ccccc2)CS1	840416042	BNOXSPHEQBGRSB-YPMHNXCESA-N	307.419	1.844	50	20	DDGD	
COc1ccc(C)cc1CC(=O)NNC(=O)CC(F)(F)F	918365608	HFESQTPTKQVCEB-UHFFFAOYSA-N	304.268	1.646	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NNC(=O)CSc1ccc(C)cc1	916140854	CGNVRGVTTSLBQQ-STQMWFEESA-N	308.403	1.660	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@H]1CCCNCC1	846669897	IZOOVHGSBUSVDU-LBPRGKRZSA-N	301.350	1.569	50	20	DDGD	
CCCNCCNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	841960869	HVMQUVYXSWVPEN-UHFFFAOYSA-N	320.437	1.928	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2CCCC2)c(OC)c1OC	914844829	AXBSYYBBHIHIDZ-UHFFFAOYSA-N	322.361	1.664	50	20	DDGD	
COC1(C(=O)NNc2cc(O)nc3ncccc23)CCCC1	913990611	RFXUCPVPCFKSRV-UHFFFAOYSA-N	302.334	1.738	50	20	DDGD	
C[C@@H](c1ccccc1)[C@](C)(O)C(=O)NNC(=O)NCC1CC1	747367132	OIBQBKJSCVFDTC-ZBEGNZNMSA-N	305.378	1.282	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)c2cnn(C)c2)cc1	749866036	CRAONFLJQWQBNZ-LBPRGKRZSA-N	316.361	1.058	50	20	DDGD	
NS(=O)(=O)c1ccc(CC(=O)NNc2ccccc2)s1	747989389	WYVPABVFRSSGOO-UHFFFAOYSA-N	311.388	1.081	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1ccc(Br)cc1	847599873	VCGVDKUIYRFDDT-NXEZZACHSA-N	312.167	1.404	50	20	DDGD	
CCC1CCN(S(=O)(=O)NN(C)C(=O)OC(C)(C)C)CC1	849400989	ZXTKDOUIKVOUQE-UHFFFAOYSA-N	321.443	1.725	50	20	DDGD	
Cn1nc(C2CC2)cc1CNC(=O)NNc1cccc(C#N)c1	927603710	LPLJGLCXAHGZHE-UHFFFAOYSA-N	310.361	1.995	50	20	DDGD	
CCn1ccc(CC(=O)NNc2cccc(Br)n2)n1	846252076	SSVBMQLEBOYWSU-UHFFFAOYSA-N	324.182	1.746	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2	755078635	PPOSPGDGPSINTN-MGPQQGTHSA-N	321.421	1.855	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cnn(C(C)C)c1N	758492691	UENLNCFUMUPQGL-UHFFFAOYSA-N	317.349	1.590	50	20	DDGD	
Cc1cnc([C@H](C)NCC(=O)NNC(=O)c2cccs2)s1	755009219	SEEFXIKIKYNFOY-VIFPVBQESA-N	324.431	1.625	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cccc2cccnc12	752751644	LJZNYMSFEMYLOQ-UHFFFAOYSA-N	320.443	1.707	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccccc1OC(F)(F)F	755565528	PZCCINCSVUPAIY-UHFFFAOYSA-N	321.255	1.774	50	20	DDGD	
N#Cc1cccc(C(=O)NN=Cc2cn(-c3ccccc3)nn2)c1	755701483	SICPNQHTILIIPI-UHFFFAOYSA-N	316.324	1.903	50	20	DDGD	
C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)NNC(=O)c1cn[nH]c1	858703987	BSQIMKMNBZNCIU-WCQYABFASA-N	313.361	1.642	50	20	DDGD	
CCOC(=O)NC1CCC(=NNC(=O)[C@@H]2CCO[C@@H]2C)CC1	853368512	LLEOWECKQIHSGX-IAUSTGCCSA-N	311.382	1.572	50	20	DDGD	
CN(C)c1cc(C(=O)NNC(=O)C2CC2)cc(C(F)(F)F)c1	854181101	UEMQEVHARXPIBJ-UHFFFAOYSA-N	315.295	1.942	50	20	DDGD	
COCCN(C[C@H](CBr)C1CC1)[C@@H](C)C(N)=O	859131567	WPIZNIQVWMWJBS-ONGXEEELSA-N	307.232	1.230	50	20	DDGD	
COC(=O)N1CCC(NC[C@@]2(C)C[C@H]2Br)CC1	856807251	MPLVYEFROYSNOW-ZYHUDNBSSA-N	305.216	1.980	50	20	DDGD	
CC(C)N(CCNC(=O)NNc1ncc(Cl)cn1)C(C)C	856830976	XUOJRCOYPWDCPB-UHFFFAOYSA-N	314.821	1.875	50	20	DDGD	
C[C@H](CC(F)(F)F)NC(=O)NNC(=O)c1cccc(F)n1	852254696	FOJOQXNMWJXHCX-ZCFIWIBFSA-N	308.235	1.506	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CCN(C(C)(C)C)C2)c1	858601865	LPXZUSBOSWEXKU-LLVKDONJSA-N	324.450	1.873	50	20	DDGD	
C/C=C(\C)C(=O)NNC(=O)Cn1c(CC)nc2ccccc21	751298457	RGENMUZNQYUSCC-NYYWCZLTSA-N	300.362	1.712	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2ncc(Cl)cn2)c2nccn21	856912714	QLAIWHUDEWUGBR-VXNVDRBHSA-N	307.745	1.659	50	20	DDGD	
CCC(=O)c1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1	755289058	CFKQCWZRDCQLMO-UHFFFAOYSA-N	300.318	1.006	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)N[C@H](C1CCC1)C1CC1	852379690	XDQQBFDBDMFCNQ-CYBMUJFWSA-N	306.341	1.743	50	20	DDGD	
O=C(NC[C@@H]1CCc2ccccc2C1)NNC(=O)c1cn[nH]c1	858230475	ZDUUGKCTXANVSF-LLVKDONJSA-N	313.361	1.159	50	20	DDGD	
C[C@@H](C(=O)NNc1ncc(Cl)cn1)N(C)CC(F)(F)F	857358168	REJQHYAEJCPAOZ-LURJTMIESA-N	311.695	1.456	50	20	DDGD	
Cc1ccc(NNC(=O)CC(=O)NCC(F)(F)F)cc1F	856230190	HYSZGNCKPRUBFN-UHFFFAOYSA-N	307.247	1.646	50	20	DDGD	
COc1cccc([C@@H](C)CC(=O)NNc2nnc(C)c(O)n2)c1	753331499	VDGDCUVXARFTLF-VIFPVBQESA-N	317.349	1.531	50	20	DDGD	
CC[C@@H](C)c1ccc(C(=O)NNC(=O)C(=O)NC(C)C)cc1	755061041	BGHVQKVYODYSCB-LLVKDONJSA-N	305.378	1.486	50	20	DDGD	
Cc1nc2ccnn2c(C)c1CCC(=O)NCCCSC#N	854362811	BRQWXNRBWXOZKH-UHFFFAOYSA-N	317.418	1.999	50	20	DDGD	
Cc1ncc2n1C[C@@H](C(=O)NNc1ccc(Cl)cn1)CC2	856091024	CWLJDOGBYPXCST-JTQLQIEISA-N	305.769	1.946	50	20	DDGD	
Cc1nc([C@@H]2CCOC2)sc1C(=O)NNC(=O)C1CCCC1	864844864	FOMOQKWDCNWNSO-LLVKDONJSA-N	323.418	1.907	50	20	DDGD	
COCC(=O)NN=C1C(=O)Nc2ccc(OC(F)(F)F)cc21	863098475	KELSICCQTZTXHJ-UHFFFAOYSA-N	317.223	1.004	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NN=c2sc3ccccc3n2C)CCO1	769734608	DHBJDVPRSMEXIB-QWRGUYRKSA-N	320.418	1.922	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@@H](O)c2cccnc2)c1	768701792	UADGSQYXQSEVHZ-LBPRGKRZSA-N	303.709	1.178	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)COCCOC)c2ccccc21	869911926	NRRUPPQMVPIGOW-UHFFFAOYSA-N	319.361	1.085	50	20	DDGD	
OB(O)c1ccccc1CNCCC[C@H]1CC1(Cl)Cl	863889356	ADGXDRJYBXFWJV-NSHDSACASA-N	302.010	1.430	50	20	DDGD	
Cc1[nH]nc(C(F)(F)F)c1C(=O)NN=c1cc[nH]cc1Cl	768443882	FPUNQXOQTWDJFZ-UHFFFAOYSA-N	319.674	1.964	50	20	DDGD	
CCCN(NC(=O)[C@]1(CC)CCNC1=O)C(=O)OC(C)(C)C	868290951	ZTRXTHCYLHCGFU-OAHLLOKOSA-N	313.398	1.581	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)CCc1ccc(OC)cc1)C1CC1	861765718	YGUOOQKFLXPQTN-MRXNPFEDSA-N	320.389	1.590	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@]1(C2CCCC2)CCNC1=O	863867152	SOZSTMIRGQJBQH-INIZCTEOSA-N	309.410	1.267	50	20	DDGD	
O=C(C[C@H]1OC(=O)c2ccccc21)NNC(=O)c1ccncc1	865890583	GHKGGIBSAWMTEI-CYBMUJFWSA-N	311.297	1.144	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1ccc2cc[nH]c2c1	863074064	WVNJIIUTQWJZMC-CYBMUJFWSA-N	314.389	1.586	50	20	DDGD	
CC1CCN(C[C@H](C)C(=O)NN=C2CCN3CCC[C@@H]23)CC1	765570727	VUYXEGBXLBMRJT-HOCLYGCPSA-N	306.454	1.695	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC[C@H](CC(=O)O)C1	864493230	VMNCJUPTQMRBMB-SNVBAGLBSA-N	311.831	1.768	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@H]1CCSC1	762153420	UKSLYODUBJUKEN-VIFPVBQESA-N	311.432	1.766	50	20	DDGD	
C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(C/C=C\C#N)C1=O	763304930	QTCKKDUDQPQPAX-SFAKSCPVSA-N	300.274	1.442	50	20	DDGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)[C@H]1C[C@@H](O)C1	873780561	MDBCFGVSIGMDGT-WAAGHKOSSA-N	314.794	1.350	50	20	DDGD	
CN1CCc2cc(C(=O)NNc3nccnc3Cl)ccc21	779379920	JILXVEGXAQRCME-UHFFFAOYSA-N	303.753	1.879	50	20	DDGD	
O=C(NNC(=O)c1ccc2nonc2c1)c1cccc(Cl)c1	1118224732	OLFQGSJLTPNIKR-UHFFFAOYSA-N	316.704	1.951	50	20	DDGD	
Cc1ccc(S(C)(=O)=O)cc1NC(=O)NNc1ncccn1	775469695	GBKQFTWMRTXRRK-UHFFFAOYSA-N	321.362	1.337	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCCN1CCc2ccccc2C1	875074574	RULLQVDOAOVQFG-UHFFFAOYSA-N	320.393	1.347	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCCc2cccs2)ccc1O	779504059	YKSDWINQVMJPNI-UHFFFAOYSA-N	319.386	1.949	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C)c([N+](=O)[O-])c1	771876367	VOEWZHQWURLJGY-VIFPVBQESA-N	323.305	1.006	50	20	DDGD	
C[S@@](=O)c1cccc(C(=O)NNc2ncccc2[N+](=O)[O-])c1	771739421	SKXQURITDRAXRO-JOCHJYFZSA-N	320.330	1.484	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@]2(C)CCO[C@@H]2C2CC2)cc[nH]1	875500595	VPQWIHPGJJYILD-ZBFHGGJFSA-N	304.394	1.643	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCC(=O)c2ccccn2)o1	770243533	JBDHFVNYKFWUIN-UHFFFAOYSA-N	301.302	1.407	50	20	DDGD	
C=Cn1cc(C=NNC(=O)[C@@H](C)CN2CCC(C)CC2)cn1	773027273	YRTOSUAFXDELOM-AWEZNQCLSA-N	303.410	1.802	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNC(=O)NC1CCCC1	772512603	TXDKQKDWHRDLCI-SECBINFHSA-N	307.398	1.793	50	20	DDGD	
COC(=O)[C@H](C)n1cccc1C=NNC(=O)c1ccc(O)cc1	774574356	FLNRCGJQWUZZGE-NSHDSACASA-N	315.329	1.692	50	20	DDGD	
Cc1cc(C=NNC(=O)CNC(=O)OC(C)(C)C)cc(C)c1O	777904988	UVZMPBFQPQRMIR-UHFFFAOYSA-N	321.377	1.984	50	20	DDGD	
C#CCCCCCC(=O)NNC(=O)c1ccc2c(c1)OCO2	779866115	BZFDZMZNHDXRQB-UHFFFAOYSA-N	302.330	1.760	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccn(C(F)F)n1)C1CC1	775792155	UWNCKYVGVXIBHK-LURJTMIESA-N	303.338	1.186	50	20	DDGD	
N#Cc1ccc(NNC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)nc1	888576778	JEJQQZXMUGWMAO-XQQFMLRXSA-N	301.350	1.537	50	20	DDGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)C1(O)CCOCC1	773458820	ONPAEUBRNJCUOY-UHFFFAOYSA-N	320.267	1.570	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ncccc1Br	887148179	ROOOHRXQCCGIBO-UHFFFAOYSA-N	310.151	1.409	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2sc(C)nc2C)cc1	783036933	KDPBTNSFDGYSAE-UHFFFAOYSA-N	320.374	1.850	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(CN(CC)CC)cc1	787894709	QQBPJYJJZDECAO-UHFFFAOYSA-N	320.393	1.024	50	20	DDGD	
C[C@H](COCC(=O)NNC(=O)c1cccnn1)c1ccccc1	882056185	MBLDRFDJMASDLR-GFCCVEGCSA-N	314.345	1.058	50	20	DDGD	
Cn1ccc(CC(=O)NNc2ccc(Br)nc2)n1	782853021	CTMQCXOTVOQELV-UHFFFAOYSA-N	310.155	1.263	50	20	DDGD	
CN1CCCC[C@H](C(=O)NNc2c(F)cc(F)cc2F)C1=O	885153787	PRUMWBGPFAXPBE-SECBINFHSA-N	315.295	1.806	50	20	DDGD	
O=C(Cc1ccc2c(c1)NC(=O)C2)NNc1ncncc1Cl	781829407	ITKBLIYCPMJLBP-UHFFFAOYSA-N	317.736	1.310	50	20	DDGD	
CC(F)(F)c1ccc(C(=O)NNC(=O)C2CCOCC2)cc1	883070556	UXYVRAQZULYANH-UHFFFAOYSA-N	312.316	1.986	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(C)nn1-c1cc(C)ccn1	786068681	GONOOXTWMHVWKR-UHFFFAOYSA-N	302.338	1.447	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)n1	780769444	HLMDDGFFVUFJOC-SNVBAGLBSA-N	306.366	1.180	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(C)ccc1-n1cnnc1	887148109	OAXRDNILBSIAIG-UHFFFAOYSA-N	311.345	1.140	50	20	DDGD	
COC[C@H](NC(=O)NNc1cccc(C#N)c1)[C@@H]1CCCO1	789337086	YPMDYYZNLZVXFG-KBPBESRZSA-N	304.350	1.378	50	20	DDGD	
C[C@@H]1CC[C@H](C(F)(F)F)CN1CC(=O)NNC(=O)C(C)(C)C	780379836	PAYXUJJREZYHOK-ZJUUUORDSA-N	323.359	1.843	50	20	DDGD	
CC(=NNC(=O)C(F)F)[C@H]1CN(Cc2ccccc2)CCO1	782238361	RHIYCYODLXSKMZ-CYBMUJFWSA-N	311.332	1.645	50	20	DDGD	
NC(=O)c1ccccc1C=NNC(=O)NCCc1cccs1	788714097	BEHDKLRIBLROHA-UHFFFAOYSA-N	316.386	1.723	50	20	DDGD	
Cc1cc(=O)n2nc(COC(=O)/C(C#N)=C/C3CC3)sc2n1	786674593	AWQCTTLJUQSPKF-BJMVGYQFSA-N	316.342	1.363	50	20	DDGD	
COCCOc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)COC)o1	899342357	USPNIJVEPXGIQO-LCFDYFRESA-N	309.318	1.790	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cccnc1-c1cnn(C)c1	786208186	NJSNTAKNHHQMHV-UHFFFAOYSA-N	302.338	1.291	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2ccncc2)c1	780813398	NSYTUHPTEXCEJD-UHFFFAOYSA-N	300.318	1.695	50	20	DDGD	
CC1(C)CCN(CCNC(=O)NNc2cncc(Cl)n2)C1	898598014	NUGHHEAZQVZPJF-UHFFFAOYSA-N	312.805	1.488	50	20	DDGD	
CN1CCC[C@@H]1c1cc(C(=O)NNc2ccnc(Cl)c2)n[nH]1	898674661	IHLWDIKFEZIBCX-GFCCVEGCSA-N	320.784	1.982	50	20	DDGD	
CC(C)(O)C(=O)NN=CC1(CN2CCOCC2)CCCCC1	785460135	GKSHSUWLRPDYAH-UHFFFAOYSA-N	311.426	1.142	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1ccc2cncn2c1	786459139	QARQSCAFXUJRBB-UHFFFAOYSA-N	322.250	1.900	50	20	DDGD	
Cc1ccncc1[C@H](C)NCC(=O)NNC(=O)c1cccs1	783002700	UWTUGCALOWNBCX-NSHDSACASA-N	318.402	1.563	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cccc3nn[nH]c23)c1	783701572	RRKKJRFCUYETDI-UHFFFAOYSA-N	311.301	1.501	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc(Cn2cccn2)cc1	782565341	KADUFWFTRSWHDO-UHFFFAOYSA-N	301.350	1.740	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1n[nH]c2c1C[C@@H](C)CC2	895512747	RSNYIMQBXUYZKX-JTQLQIEISA-N	312.373	1.918	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@H](O)c1ccc(Cl)cc1	899997087	GWJLHVDGEHPFKZ-SNVBAGLBSA-N	315.826	1.667	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc(C(C)(F)F)cc2)cn1	794340675	RAIIIAZMBAHQHV-UHFFFAOYSA-N	308.288	1.607	50	20	DDGD	
CCc1occc1C(=O)NNC(=O)COc1ccccc1OC	797701170	DSZIPIPJNBEPRW-UHFFFAOYSA-N	318.329	1.691	50	20	DDGD	
O=C(NCc1ccc(F)cc1F)NNc1nc2ccccn2n1	790262442	BROSFGSPDGZDRQ-UHFFFAOYSA-N	318.287	1.834	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)[C@H]1CCC(F)(F)C1	794894327	GDYDYSXUUXWCKG-JTQLQIEISA-N	322.315	1.619	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CCC1CCCC1	790063637	PPDNQTIFYSWBIW-UHFFFAOYSA-N	300.399	1.893	50	20	DDGD	
O=C(Cc1ccc(Cl)c(Cl)c1)N1CC[C@H](B(O)O)C1	585071049	LMSAOHNACHDZKO-VIFPVBQESA-N	301.966	1.611	50	20	DDGD	
Cn1cc2c(n1)CCC[C@@H]2C(=O)NNc1ncccc1[N+](=O)[O-]	799101062	FEGFTAYACRNBJL-VIFPVBQESA-N	316.321	1.287	50	20	DDGD	
CC(=NNC(=O)c1ccncc1)c1ccc2c(c1)OCC(=O)N2	794856414	KAWGNFVSVPLKSI-UHFFFAOYSA-N	310.313	1.567	50	20	DDGD	
CO[C@]1(C)CCCN(C(=O)NNC(=O)c2cccc(C)n2)C1	793227410	CALKKHSUKYOCCN-OAHLLOKOSA-N	306.366	1.245	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42	795261766	ZVWQFYZFFRFWFJ-DMCWRTHBSA-N	312.373	1.322	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(C2CC2)n(C(C)(C)C)n1	798306481	IZXLEEUPVITXPU-UHFFFAOYSA-N	321.450	1.810	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC12CCC2)c1cncn1-c1ccccc1	1319185258	XPTAPWROYPEWBX-ZDUSSCGKSA-N	310.357	1.824	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1ccccc1OC(F)(F)F	1318966506	UYCZNFQCYJIGNM-UHFFFAOYSA-N	304.224	1.598	50	20	DDGD	
CN[C@H](C)CCNC(=O)NNC(=O)c1cc2ccccc2o1	1325324678	SKOQZWCUQIQNPB-SNVBAGLBSA-N	304.350	1.375	50	20	DDGD	
CC1CCN(CCC(=O)NN=CC(C)(C)S(C)(=O)=O)CC1	1320193943	QFNKZWDVUDXDNZ-UHFFFAOYSA-N	317.455	1.034	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H](C)N1CCc2ccccc2C1	1323023419	KDKNREMXPILYKA-LBPRGKRZSA-N	320.462	1.337	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCCOC(C)(C)C)cc1	1327619241	RKKFKUVZNBMQFS-UHFFFAOYSA-N	323.393	1.844	50	20	DDGD	
C=C(C)CCC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12	1335440709	NQLMCIBKJWJPBX-UHFFFAOYSA-N	314.345	1.051	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)nc1)C(=O)c1ccc(O)cc1	1258503451	HPENHZTXJJXMEE-UHFFFAOYSA-N	319.704	1.085	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccc(F)cc2C1)[C@@H]1CCCCO1	1261335003	HIUDYFYGFMVJTN-RISCZKNCSA-N	322.336	1.093	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccn(-c2ccncc2)n1	1339157050	PZIQYNZSLQBJGZ-UHFFFAOYSA-N	302.338	1.011	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2CS[C@H](C)C2)cc1	1261365382	NOHOAZALVSUAKD-KOLCDFICSA-N	309.391	1.533	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCn2nc(C3CC3)cc2C1	1263081723	LNRXWWCCCUJIKJ-UHFFFAOYSA-N	305.382	1.363	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@@H]2CCCCCC(=O)C2)c1Cl	1347489936	BRPMRUGNMOAQFO-MRVPVSSYSA-N	311.773	1.695	50	20	DDGD	
CC(C)C[C@@H]1CN(C)CCN1C(=O)NNC(=O)c1ccccc1	1353125450	DXNXUGLXEVNZCE-OAHLLOKOSA-N	318.421	1.703	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)c(F)c1	1521569557	TWLUZIKTKUCIPW-ZWKOPEQDSA-N	323.324	1.558	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1ccc(F)c(Cl)c1Cl	1608754400	BQZCELMRQBSDFO-UHFFFAOYSA-N	308.096	1.850	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cccc3cc(O)ncc23)nc1	1602382813	DNAFPZHNEWGTPE-UHFFFAOYSA-N	324.296	1.791	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1C[C@@H](C(=O)O)c2ccccc21	1604341048	BMGPSCSXMNQRNL-MNOVXSKESA-N	307.306	1.212	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H](C(=O)NNc2cc(F)c(F)c(F)c2)O1	1602177139	PNGDHRPJZTXREA-BDAKNGLRSA-N	304.224	1.179	50	20	DDGD	
Cc1ccc(NNC(=O)c2n[nH]c(C)c2[N+](=O)[O-])cc1C(=O)O	1607809584	WCGRMWPDVDUKFL-UHFFFAOYSA-N	319.277	1.390	50	20	DDGD	
O=C(O)Cc1csc(NC(=O)NNc2ncccc2F)n1	1608792919	FCVGUZUDBZBIBL-UHFFFAOYSA-N	311.298	1.453	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)N[C@@H]1C[C@H]2CC[C@@H]1N2	1601556842	MGQBNNUAQPTOSH-VSYUYLJXSA-N	308.313	1.043	50	20	DDGD	
O=C(/C=C\c1ccncn1)NNc1cccc(C(=O)O)c1F	1608289651	ZRENLIBREAMIPQ-PLNGDYQASA-N	302.265	1.470	50	20	DDGD	
C[C@H]1CSC[C@H]1NC(=O)NNc1ccc(C(=O)O)cc1F	1604823029	HITBTTZPAQLOST-WRWORJQWSA-N	313.354	1.902	50	20	DDGD	
Cc1cc(C=NNC(=O)CNc2ccccc2)[nH]c1C(=O)O	1607634021	WMQFPOWRDKHDIO-UHFFFAOYSA-N	300.318	1.584	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1cc(C(=O)O)cs1	1600592808	LSDOSHZJYJLVHD-UHFFFAOYSA-N	320.330	1.232	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)C1(C(=O)C2CC2)CC1	1606861203	OURKLIQLXKDMOH-UHFFFAOYSA-N	312.333	1.069	50	20	DDGD	
Cc1c(NNC(=O)NC[C@@H](C)N(C)C2CC2)cccc1C(=O)O	1600051856	XHWKMBZAVJASNB-SNVBAGLBSA-N	320.393	1.802	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)NC1C[C@H]2[C@H](C1)C2(F)F	1605820882	JQLYJOZVUFPMFN-IUCAKERBSA-N	312.276	1.450	50	20	DDGD	
O=C(O)[C@@H]1[C@H](O)CCCN1C[C@@H](CBr)C1CC1	1601758122	LIGOJQIYFFUCTE-MXWKQRLJSA-N	306.200	1.317	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1cccc(-n2cnnn2)c1	1608482940	PDPXVYMQPFEHHL-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
O=C(O)c1cn(C2CN(C(=O)c3cccc(CCl)c3)C2)nn1	1602501251	VPWSYVVDIOESGD-UHFFFAOYSA-N	320.736	1.412	50	20	DDGD	
CCCc1n[nH]cc1C(=O)NNc1cccc(C(=O)O)c1F	1609981344	DAZXOIOQDTVAQG-UHFFFAOYSA-N	306.297	1.956	50	20	DDGD	
O=C(O)[C@@H]1C[C@H]2CC[C@H]1N(S(=O)(=O)CCCCCl)C2	1610739792	BFUNRGPHJVUZKJ-GMTAPVOTSA-N	309.815	1.520	50	20	DDGD	
Cc1ccc(C)c(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)c1	1549317232	WAURUQIEWNGKHT-HZPDHXFCSA-N	301.390	1.617	50	20	DDGD	
N[C@@H]1CCC[C@@H](NC(=O)NNc2ccc(C(=O)O)cc2F)C1	1610643904	WUZXXGOVHQHAOZ-NXEZZACHSA-N	310.329	1.420	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2cccc(C(=O)O)c2)[C@@H]1OC	1610028815	GAMHNCDRWCJGQV-XQQFMLRXSA-N	323.349	1.203	50	20	DDGD	
Cn1c(C(=O)NNC(=O)C(C)(C)C)ccc1[C@H]1CCCCN1	1579944431	LKCQSTHKOKKZKQ-LLVKDONJSA-N	306.410	1.647	50	20	DDGD	
CC#CC[C@@H](N)C(=O)NNc1c(C)cccc1Br	1574973635	XMUYQXVTNFVFCP-LLVKDONJSA-N	310.195	1.941	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCO1	1588999732	MXIFKVRNPRGHSQ-SKDRFNHKSA-N	302.338	1.125	50	20	DDGD	
NC[C@H]1CC[C@H](NC(=O)NNc2nc3cccnc3s2)CC1	1580331848	PSZJIVWNBSBGAB-MGCOHNPYSA-N	320.422	1.835	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCCOC	1847476886	UPXMNQCNYPDOJE-AGIUHOORSA-N	316.829	1.632	50	20	DDGD	
CC1(C)C[C@]1(C(=O)O)C(=O)NNC(=O)CCCc1ccccc1	1589219901	UETDVOKIVQPXHX-QGZVFWFLSA-N	318.373	1.658	50	20	DDGD	
O=C(C(Cl)Cl)N1CC2(CCCN2C(=O)[C@@H]2C[C@@H]2F)C1	1841793517	TWCSLFYWBSJMKQ-SFYZADRCSA-N	309.168	1.352	50	20	DDGD	
CC[C@@H](NNC(=O)COc1cccc(C(F)(F)F)c1)C(=O)O	1595305737	LZEAMRJUNKXZPA-SNVBAGLBSA-N	320.267	1.568	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc(F)c(C(=O)O)c2)n1	1599722808	TYRYBRWIPDMHKL-UHFFFAOYSA-N	321.268	1.471	50	20	DDGD	
COc1ccc(C)c(C=NNC(=O)[C@@H]2CCCCO2)c1C(=O)O	1776077527	AQNCRQMTXZXLPC-ZDUSSCGKSA-N	320.345	1.721	50	20	DDGD	
N#C/C(=C/c1ccc(OCC(=O)O)c(Cl)c1)C(=O)NC1CC1	1776127753	DLVYUDBWJUKQJR-YHYXMXQVSA-N	320.732	1.989	50	20	DDGD	
CNC(=O)/C(C#N)=C/c1cc(Br)cc(C(=O)O)c1	1776125588	MOBRKLFZNLHIRG-YCRREMRBSA-N	309.119	1.800	50	20	DDGD	
C#CCCCC(=O)NN=Cc1c(C)ccc(OC)c1C(=O)O	1776104972	IXBVRVKZSLUCSS-UHFFFAOYSA-N	302.330	1.955	50	20	DDGD	
C[C@H](C(=O)NNc1ccccc1[N+](=O)[O-])N1CCSCC1	151195899	QYTXHDQXBFRDEV-SNVBAGLBSA-N	310.379	1.475	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)c2ccc(C#N)cc2)CCCS1	152919236	GIWCEMOVGWQMBL-HNNXBMFYSA-N	318.402	1.788	50	20	DDGD	
O=C(NCC1(C2CC2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1	152279120	IFOFWTJDGWUYRJ-UHFFFAOYSA-N	318.333	1.729	50	20	DDGD	
Cn1c(C(=O)NNc2ncnc3nc[nH]c23)cc2ccccc21	156252695	DJLLFXRWIXDALA-UHFFFAOYSA-N	307.317	1.602	50	20	DDGD	
CN(C)C(=O)O[C@H]1CCCN(S(=O)(=O)CCCCl)C1	882228619	QZWAUICNPSLLNY-JTQLQIEISA-N	312.819	1.108	50	20	DDGD	
CNc1snc(C)c1C(=O)NNC(=O)c1cccc(C#N)c1	103437200	SVVWJWUIMJZLFT-UHFFFAOYSA-N	315.358	1.440	50	20	DDGD	
CCc1nc(CC(=O)NNC(=O)CNc2ccccc2)cs1	104829307	WAZLYFPHBYBWOY-UHFFFAOYSA-N	318.402	1.508	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cccc3cccnc23)[nH]n1	178584431	BXYMFSZPKQYBGT-UHFFFAOYSA-N	310.317	1.733	50	20	DDGD	
CN(C)c1ccc(CCNC(=O)NNC(=O)c2ccc[nH]2)cc1	102027442	OJEQQXHLRRPFGC-UHFFFAOYSA-N	315.377	1.267	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCc1ccoc1	177558711	KJPICIDUSGTFOG-NSHDSACASA-N	320.320	1.966	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2ccc(F)cc2)cn1	25070943	APETWVCCTIQRPH-UHFFFAOYSA-N	303.293	1.369	50	20	DDGD	
COc1cc(C)nc(NNC(=O)/C=C/c2ccc(Cl)nc2)n1	118963440	WAJXXVYUCAXQKN-GQCTYLIASA-N	319.752	1.999	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)Cc1cc[nH]n1)c1ccc(F)cc1	171660673	HUVUJJKQPLPORY-CSKARUKUSA-N	302.309	1.342	50	20	DDGD	
C[C@@H]1CC[C@@H](CCC(=O)NNC(=O)c2ccc(C#N)cc2)O1	175791297	IFGBXBNZDWFHKT-RISCZKNCSA-N	301.346	1.667	50	20	DDGD	
O=C(Cc1cccc(C(F)(F)F)c1)NNC(=O)NC1CC1	64428927	BJJMNZPMHIEFIP-UHFFFAOYSA-N	301.268	1.741	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=S)NCc2ccccc2)c1	28700615	QTQQYJKBFVMNBU-UHFFFAOYSA-N	310.382	1.867	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)COc1cc(C)cc(C)c1	66307380	XHWNPYHKLXZLAJ-AWEZNQCLSA-N	320.389	1.811	50	20	DDGD	
O=C(NCC1CCOCC1)NNc1ncnc2ccsc12	177870511	BOIHZNXZOIPZOG-UHFFFAOYSA-N	307.379	1.744	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)c2ccc[nH]2)c1Cl	123265833	SONRXSFRMGGRNO-UHFFFAOYSA-N	320.736	1.376	50	20	DDGD	
COc1cccc([C@@H](O)C(=O)NNC(=O)c2ccc(C)o2)c1	120973485	IVLQNYQHQBGGTO-CYBMUJFWSA-N	304.302	1.091	50	20	DDGD	
O=C(NNC(=O)[C@H]1COCCN1C1CCCC1)c1ccccc1	188400150	IXUZBBCTUWEEJY-OAHLLOKOSA-N	317.389	1.091	50	20	DDGD	
CC[C@@H](NC(=O)NNc1nc2ccccn2n1)c1ccncc1	189249630	GTTBWYNFEDBOES-GFCCVEGCSA-N	311.349	1.902	50	20	DDGD	
CC(C)c1noc(CCC(=O)NNC(=O)c2ccccc2F)n1	31488382	HTXKEZUKKAKGLK-UHFFFAOYSA-N	320.324	1.726	50	20	DDGD	
CC[C@@H](C)[C@@H](C)C(=O)NNC(=O)Cc1cn2ccccc2n1	180344908	BQFFFIQEDARGPU-VXGBXAGGSA-N	302.378	1.706	50	20	DDGD	
O=C(CC1CCOCC1)NNc1ccc(C(F)(F)F)nn1	124352428	SYAJCGBSXHQWMC-UHFFFAOYSA-N	304.272	1.755	50	20	DDGD	
CCOc1ccccc1NC(=O)C(=O)NNc1ccccn1	181420410	URGZLMCVHJPSTP-UHFFFAOYSA-N	300.318	1.562	50	20	DDGD	
C[C@@H](O)[C@@H](C)SCC(=O)NNC(=O)c1ccccc1Cl	79050083	ICMAALSIXNBVIQ-RKDXNWHRSA-N	316.810	1.604	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)Cc2cccnc2)c(F)c1	182813721	NAGMJMCYSVMHNX-UHFFFAOYSA-N	302.309	1.925	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc2cnn(CC)c2c1	184666183	KJLWPBAIHXKHMV-UHFFFAOYSA-N	305.338	1.245	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@@H]1CCCc2sccc21	123865773	PGAIQQFEDSLPTJ-CYBMUJFWSA-N	315.398	1.953	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CC[C@H](C)[C@H](C)C2)cc1	122591492	WQHAEKAEVIBFJW-UONOGXRCSA-N	303.406	1.734	50	20	DDGD	
Cc1ccc(-c2nnn(CC(=O)NNc3ccccn3)n2)cc1	181193221	HNUNFUQFVDRRDU-UHFFFAOYSA-N	309.333	1.187	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)c1cnns1	79661300	WDCACXNPFARSFM-UHFFFAOYSA-N	312.354	1.695	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NNC(=O)Cc1cccc2ccccc12	78876091	DDDUTGSMXYMDHN-HZPDHXFCSA-N	312.369	1.955	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ccc(O)c(Cl)c2)n1	133961855	UILGMJGCFODEIB-UHFFFAOYSA-N	314.132	1.828	50	20	DDGD	
Cc1[nH]ncc1CCCNC(=O)NNc1cccc([N+](=O)[O-])c1	45538951	HPPJUMRBOLSYDN-UHFFFAOYSA-N	318.337	1.885	50	20	DDGD	
COCCC1(C(=O)NNC(=O)CCc2ccc(OC)cc2)CC1	130325492	MLIOQHORTJTHSR-UHFFFAOYSA-N	320.389	1.592	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])c(O)c1	133151759	PAKQUZLLJPTYIQ-QQCYMQAYSA-N	305.290	1.358	50	20	DDGD	
O=C(NNC(=O)c1c(O)cccc1F)c1ccc(Cl)nc1	131307194	LEVFAJADZRSGAE-UHFFFAOYSA-N	309.684	1.655	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C[C@H]1CCCOC1	195012027	VJRKNYPGGKSYBQ-NWDGAFQWSA-N	324.352	1.557	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)C[C@H]2CCCOC2)c1	193764192	GPYVUZUQAPKSGX-LLVKDONJSA-N	312.391	1.350	50	20	DDGD	
COC(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1	192844590	TVZQKZQVAXYXMB-SSDOTTSWSA-N	317.139	1.604	50	20	DDGD	
C[C@@H]1CCCC[C@H]1CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1	194059623	GXVKWAVUVMENGA-MBNYWOFBSA-N	317.455	1.194	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C[C@@H]1CCCOC1	195010102	CMDXFRDZJAXPLS-NEPJUHHUSA-N	324.352	1.557	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(F)c(C)cc1F	94120623	RMHOAWXYSPZIMV-UHFFFAOYSA-N	319.402	1.745	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)c(OC)c1	264364850	LAXMLIJUJXDDOU-VIFPVBQESA-N	323.418	1.611	50	20	DDGD	
C=C1CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1	264473727	OGVICEBIEXFBTA-UHFFFAOYSA-N	318.333	1.008	50	20	DDGD	
CSC[C@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1O	264495834	HCWKAXCUAJZVCQ-ZETCQYMHSA-N	302.783	1.806	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)COc2ccc(C#N)cc2)O1	268271584	HIFJDAQQUXUIGM-GXTWGEPZSA-N	317.345	1.042	50	20	DDGD	
CCCN(NC(=O)[C@@H]1COCCN1CC)C(=O)OC(C)(C)C	367333431	RGTQRYGFEOOSFK-LBPRGKRZSA-N	315.414	1.385	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCC[C@H](C)CO	270548007	QZZBDDXNIAEWFR-NSHDSACASA-N	309.366	1.048	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1csc(S(C)(=O)=O)c1	270875606	NDFMNSXGJWJGCW-UHFFFAOYSA-N	320.392	1.321	50	20	DDGD	
C=CCCOCCNC(=O)NNC(=O)C(C)(C)c1ccccc1	270490372	XLIMOLJFLNYMFR-UHFFFAOYSA-N	319.405	1.887	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1cc(C)c(F)cc1F	274368787	PMXDMQJHYNIKHG-UHFFFAOYSA-N	307.322	1.128	50	20	DDGD	
OCCN(CCI)Cc1cccnc1	277539688	TZJAOXUKPDLBCO-UHFFFAOYSA-N	306.147	1.311	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NNC(=O)C2CC2)cc1Cl	274059659	IIDJYPOSZJPZNB-UHFFFAOYSA-N	310.741	1.262	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C(C)(C)C	277160672	IHHJTVOVRMBSMS-STQMWFEESA-N	309.410	1.572	50	20	DDGD	
Cc1ccc2c(c1)CC[C@H](C(=O)NNC(=O)c1cccnc1)O2	377375811	WWSYNUDLFRZOEG-OAHLLOKOSA-N	311.341	1.545	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](C)n1ccc2ccccc2c1=O	288582942	SFZBQXCWCYAZCU-LLVKDONJSA-N	316.361	1.255	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	282956329	UJTUNTSLQGQEJB-GFCCVEGCSA-N	321.377	1.286	50	20	DDGD	
Cc1ccc2c(c1)nc(CNC(=O)NNC(=O)CC(C)C)n2C	283169379	JBKQELZRKSJOPG-UHFFFAOYSA-N	317.393	1.758	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@H]2COc3ccccc32)n1	289374940	JZWCVKWJZMHLFB-NSHDSACASA-N	314.345	1.893	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Nc1ccc(Cl)cc1)n1cncn1	802015976	FXHISWWMXNIFMJ-QMMMGPOBSA-N	308.729	1.345	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCCSC2)cc1C	809933396	FOSJQAPBOIIDGE-CYBMUJFWSA-N	322.430	1.973	50	20	DDGD	
CO[C@H](C)CS(=O)(=O)NNC(=O)c1ccc2ccccc2c1	800833553	FOPOHJLDHMZJQU-LLVKDONJSA-N	322.386	1.439	50	20	DDGD	
Cn1nc([C@@H]2CCCO2)cc1NC(=O)NNc1cccc(F)n1	806494681	UQNAXHMTJZOBTL-JTQLQIEISA-N	320.328	1.954	50	20	DDGD	
CCn1cc([C@H](C)NC(=O)NNc2cccc(OC)n2)cn1	297244079	BFPVWKIZHVXNFK-JTQLQIEISA-N	304.354	1.694	50	20	DDGD	
CCO[C@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1OC	298490235	HDASJNRJLQNJOU-MRVPVSSYSA-N	300.742	1.535	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@H]1C[C@H]1c1cccc(F)c1	296402415	QSEWESJLSJUKCD-IHRRRGAJSA-N	321.352	1.581	50	20	DDGD	
CN(NC(=O)c1cc([N+](=O)[O-])cnc1O)C(=O)OC(C)(C)C	298260870	KVBIAFVFDPBFJD-UHFFFAOYSA-N	312.282	1.207	50	20	DDGD	
CC[C@H](OC)C(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1	299411349	QWMCBUJCOTZQHV-LBPRGKRZSA-N	324.377	1.668	50	20	DDGD	
COCCN(C)NC(=O)c1cc(Br)c(F)cc1F	297218202	XJQKWWIPZCASFG-UHFFFAOYSA-N	323.137	1.950	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1[N+](=O)[O-]	294291040	QEZOUNPXOKDBBV-ZANVPECISA-N	321.333	1.486	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1C[C@@H](C)c2ccccc21	807957593	RJDKSHPFHMPXDK-ZIAGYGMSSA-N	315.417	1.982	50	20	DDGD	
CNS(=O)(=O)c1cc(C(=O)N(C)CC(Cl)Cl)co1	808247059	PQLSLRHQTLITMD-UHFFFAOYSA-N	315.178	1.063	50	20	DDGD	
Cc1ccc([C@H](C)CNC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	297155325	IJIFZNUBVIOJEE-IPYPFGDCSA-N	319.405	1.996	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccnc(C)c2)cc1	802054741	UJGGOUAUCDEBPO-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H](C)OCC(C)C)cc1	802054125	KWHBQNQTADGYOM-NSHDSACASA-N	309.366	1.909	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc2c(c1O)CCCC2	294626048	KZKSMDVWYUJXHI-ZDUSSCGKSA-N	304.346	1.211	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=Cc2cnccn2)cc1	807952684	JATGQGDBXIRVCD-LBPRGKRZSA-N	314.345	1.793	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)C1CCN(c2cnccn2)CC1	808248519	MKRHGFKMCHYFSF-UHFFFAOYSA-N	317.220	1.955	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)Nc2cc3ccccn3n2)n1	806648348	WOQBFTPHDKDIAW-UHFFFAOYSA-N	318.728	1.509	50	20	DDGD	
CC(C)(C)CC(=O)N1CCC(=NNC(=O)Cc2cc[nH]n2)CC1	814957772	VKYZEMUNYCTVSD-UHFFFAOYSA-N	319.409	1.483	50	20	DDGD	
CC(C)[C@@H]1CC(=NNC(=O)CNC(=O)c2ccco2)CS1	814826748	GAMONPRGLPUYRV-LBPRGKRZSA-N	309.391	1.643	50	20	DDGD	
CC[C@@H]1CN(C(=O)NNC(=O)Cc2cccnc2)C[C@@H](CC)O1	817157953	SJZAAMOMAHQDCL-ZIAGYGMSSA-N	320.393	1.254	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)c1cc(F)c[nH]1	814799895	GMMZHEHDWPUNIY-UHFFFAOYSA-N	301.281	1.185	50	20	DDGD	
O=C(NN=C(c1ccccc1)c1ccccc1)[C@@H]1CNCCOC1	818042525	AVEZQXCFXVCHLS-QGZVFWFLSA-N	323.396	1.791	50	20	DDGD	
COc1ccc(NNC(=O)c2cnn[nH]2)c(C(F)(F)F)c1	816704140	HLRNLRLZSOPWAP-UHFFFAOYSA-N	301.228	1.589	50	20	DDGD	
O=C(CCn1cnccc1=O)NNc1cc(F)c(F)cc1F	815856696	XEASYZXEZICHII-UHFFFAOYSA-N	312.251	1.194	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCCCCC(=O)C1	811385540	MJIDWSHPMMUJCI-MNOVXSKESA-N	312.366	1.015	50	20	DDGD	
Cc1c(NNC(=O)[C@H]2CCc3nncn3C2)cccc1[N+](=O)[O-]	815855403	QLZCPVDQYSDOLK-JTQLQIEISA-N	316.321	1.200	50	20	DDGD	
CC(C)OC(=O)CC[C@@H](C)NC(=O)NNc1ncncc1F	814327418	GMYGLIZHAYQMOG-SECBINFHSA-N	313.333	1.362	50	20	DDGD	
COc1cc(F)c(F)cc1NC(=O)NNC(=O)c1ccncc1	810273834	WPCOEOIIEZLZQQ-UHFFFAOYSA-N	322.271	1.835	50	20	DDGD	
COC1([C@@H](C)NC(=O)NNc2ncccc2F)CCOCC1	817173499	NKPSDCWYHDHFAH-SNVBAGLBSA-N	312.345	1.431	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1nc2c(s1)CCCC2	814854018	AHSWDIUBBKFCHE-UHFFFAOYSA-N	322.434	1.777	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)[C@H]1CCCSC1	810353400	GGKULXMLBQQCPU-ZDUSSCGKSA-N	317.414	1.932	50	20	DDGD	
CC(C)=CCC[C@@H](C)CC=NNC(=O)[C@@H](C)NS(C)(=O)=O	728435745	HCBGEIUKSKUPPM-CHWSQXEVSA-N	317.455	1.799	50	20	DDGD	
COc1ccc2nc(NNC(=O)C(OC)OC)c(C)cc2c1	821761724	VQZCVEIXNYWROX-UHFFFAOYSA-N	305.334	1.614	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC[C@H](Oc2ccccc2)C1	829091577	MVCJJAJDWBCBIW-OCCSQVGLSA-N	305.378	1.086	50	20	DDGD	
C[C@@H]1CN(C(=O)/C(C#N)=C\c2cnn(C)c2)CC2(CCC2)O1	491049586	NJCLUBWMEWWCFZ-KXQKXUNCSA-N	300.362	1.497	50	20	DDGD	
Cc1cscc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	826321242	WTGQEHMGUAOEDF-UHFFFAOYSA-N	300.347	1.994	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)Cc1ccc(F)c(Br)c1	823971370	SQTCCVRPIVMHES-QMMMGPOBSA-N	319.174	1.475	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CC1CCC1	491833908	IAEBVXNKRHSNOB-UHFFFAOYSA-N	314.386	1.032	50	20	DDGD	
COc1ccc(-c2nc(C=NNC(=O)CN(C)C)cs2)cc1	727647764	HFQPNCDDWLMUGO-UHFFFAOYSA-N	318.402	1.830	50	20	DDGD	
CC(C)COc1ncccc1C(=O)NNC(=O)NCC1CC1	728518553	JEBCMXLPBQMMJP-UHFFFAOYSA-N	306.366	1.470	50	20	DDGD	
C[C@H]1CC[C@H](CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1	494538685	JDRCZQGWCMIDDC-QWRGUYRKSA-N	313.398	1.485	50	20	DDGD	
COc1ccc(CC(=O)NNc2nccnc2OC)c(C)c1	822871462	IQCVCUPSDJXHBW-UHFFFAOYSA-N	302.334	1.488	50	20	DDGD	
Cn1ccc(CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)c1	822690136	SWTRRDYYCSLIPH-UHFFFAOYSA-N	312.337	1.032	50	20	DDGD	
COC(=O)NNC(=O)c1cnn(-c2ccccn2)c1C(C)C	495408522	SDPGPNSOEIUCLA-UHFFFAOYSA-N	303.322	1.392	50	20	DDGD	
C=CCOCC(=O)NNC(=O)c1cc(-c2ccccc2)on1	729305061	FNOYCXOETMBUSE-UHFFFAOYSA-N	301.302	1.305	50	20	DDGD	
O=C(CCCC(=O)C1CC1)NNC(=O)c1ccc(Cl)cc1O	825503992	KQUBUVBKVZTKMD-UHFFFAOYSA-N	324.764	1.956	50	20	DDGD	
COCCC(C)=NNC(=O)CCCNC(=O)OC(C)(C)C	495649552	DHSRRUIAPIMFEV-UHFFFAOYSA-N	301.387	1.820	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=C1CC[C@H]2CCCC[C@H]2C1	728435804	ACSUOHGHWQJELR-TUAOUCFPSA-N	315.439	1.387	50	20	DDGD	
CN(CCN(C)c1ccccc1)C(=O)/C(C#N)=C\c1cnn(C)c1	491162183	QXROADDBOHTZQR-WJDWOHSUSA-N	323.400	1.922	50	20	DDGD	
COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NN(C)[C@H](C)CO)c1	823934604	IJOBPUIANBDTPX-OSMZGAPFSA-N	308.378	1.151	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ncccc1OCCCC#N	492437714	RFFHBLRHCDLIFB-UHFFFAOYSA-N	307.310	1.547	50	20	DDGD	
C[C@@H](CCS(C)(=O)=O)NC(=O)/C(C#N)=C/c1ccc(O)cc1	491082228	IICSTQVPIPCQOU-GJSJWPQCSA-N	322.386	1.239	50	20	DDGD	
CCCC[C@@](C)(F)C(=O)NNc1nc(O)c2cnn(C)c2n1	827657149	MTRCBZAZLYDJGC-CYBMUJFWSA-N	310.333	1.430	50	20	DDGD	
CC1(C)C[C@H]1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	824795607	AQEVQWUYIYKXPC-ZETCQYMHSA-N	307.745	1.404	50	20	DDGD	
C[C@@H]1CCc2ccccc2N1CCC(=O)N1CC[C@@H](B(O)O)C1	585068674	DGODEWFFDZGEDP-UKRRQHHQSA-N	316.210	1.293	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCSc3ccccc32)c(F)c1	585016228	JJQLGLCGSBWMFD-OAHLLOKOSA-N	317.194	1.832	50	20	DDGD	
COc1ccnc(NNC(=O)CC[C@H]2CC2(Cl)Cl)n1	821481714	RRHARYPEOGTYHW-ZETCQYMHSA-N	305.165	1.902	50	20	DDGD	
Cc1ccc(Cc2nc(C(=O)NN(C)[C@@H](C)CO)cs2)cc1	823939144	GMJQYQQGQRVBDR-LBPRGKRZSA-N	319.430	2.000	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1ccc(C(=O)O)cc1C	905430062	POAWETRHKRDXGS-UHFFFAOYSA-N	317.345	1.156	50	20	DDGD	
O=C(NCB(O)O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1	585061998	BFGSRGXIHAARKW-UHFFFAOYSA-N	305.036	1.004	50	20	DDGD	
C[C@H]1CCC[C@@H](C)[C@@H]1N(C)C(=O)c1ccc(B(O)O)c(F)c1	584942536	SMOSIIBUNXSORW-HBYGRHMLSA-N	307.174	1.402	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2ccccc2F)C[C@H]1Br	905088951	AMFWXDUBYVWCNZ-BXKDBHETSA-N	315.142	1.760	50	20	DDGD	
COc1ccccc1N(C)[C@@H](C)C(=O)NNC(=O)CC(C)C	731849159	SXJDJVKNERWPTH-LBPRGKRZSA-N	307.394	1.713	50	20	DDGD	
C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccc(B(O)O)c(F)c1	584957174	LDDYJAVFMOIMEK-JTQLQIEISA-N	321.182	1.270	50	20	DDGD	
COCC(COC)NC(=O)NNC(=O)c1cc2ccccc2o1	836339505	FRHFDZYUBGVSDE-UHFFFAOYSA-N	321.333	1.038	50	20	DDGD	
Cc1ccc(NNC(=O)Nc2cccc(-c3nn[nH]n3)c2)nc1	737362112	NLYMCTWXZDZQFV-UHFFFAOYSA-N	310.321	1.719	50	20	DDGD	
CCOc1ccc(NNC(=O)NC[C@]2(C)CCC(=O)N2)cc1	838735769	VQYVFPWJMVHMII-HNNXBMFYSA-N	306.366	1.380	50	20	DDGD	
COc1ccc(C(=O)O)cc1C=NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	901259048	OBCVGPTYNNHZRM-YRGRVCCFSA-N	318.329	1.411	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)NCC(C)(F)F	836480966	GIXRWUALVOPVNW-UHFFFAOYSA-N	321.711	1.948	50	20	DDGD	
O=C(NNc1cc(F)ccc1Br)[C@@H]1C[C@H]1[N+](=O)[O-]	839880137	GWPDTGMHYBCNRO-HZGVNTEJSA-N	318.102	1.697	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)[C@@H](C)CN1CCCCCC1	732528209	FYYDILCWZOLXKH-LBPRGKRZSA-N	317.455	1.035	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC[C@H]2CCCN(C)C2)o1	838772383	RDFFPHVBADWYNF-GFCCVEGCSA-N	308.382	1.264	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CC(C)(C)OCC1(C)C	734485746	RFJHQUCNWZCBTG-LBPRGKRZSA-N	313.442	1.458	50	20	DDGD	
CCC(CC)[C@@H]1C[C@@H](NC(=O)c2cccc(B(O)O)c2)CCO1	584971864	GNRVCJKTDMLBTN-HOTGVXAUSA-N	319.210	1.080	50	20	DDGD	
C[C@@H](C1CC1)n1cc(NC(=O)NNc2ncncc2F)cn1	836548351	QLMANALECFMRAJ-QMMMGPOBSA-N	305.317	1.932	50	20	DDGD	
C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1cccc(B(O)O)c1	584947092	GIZRXRIAVPCIOR-BBRMVZONSA-N	309.174	1.385	50	20	DDGD	
C[C@]1(C(=O)N2CCC(n3ccnn3)CC2)C[C@H]1Br	907084522	ATCZQZXAUFERMI-PWSUYJOCSA-N	313.199	1.615	50	20	DDGD	
Cc1ccc([C@H](CNS(=O)(=O)CCl)N2CCCC2)o1	830338624	PTDXBRBKISJWAX-NSHDSACASA-N	306.815	1.841	50	20	DDGD	
Cc1nn(C)cc1[C@H](C)NC(=O)NNC(=O)CC(F)(F)F	739035775	XHDSAUCRATZASP-LURJTMIESA-N	307.276	1.072	50	20	DDGD	
C=CC(C)(C)CNC(=O)NNC(=O)COc1ccccc1C#N	838666435	ZMSQSFIQRIEVCX-UHFFFAOYSA-N	316.361	1.480	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=Cc1ccccc1C(=O)O	916323590	ASNILTPLECNSLD-UHFFFAOYSA-N	323.308	1.786	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cccc(Oc2ccccn2)c1	910184768	VPQNJINCXLYYMH-GFCCVEGCSA-N	301.346	1.831	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNc1ccc(C(=O)OC)c(F)c1	837049965	CAMMHYRJHGMWBV-MRVPVSSYSA-N	312.297	1.255	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NC[C@@H]1CC[C@@H](C)O1	838741994	DPODGKKONIDKGC-OCCSQVGLSA-N	305.378	1.435	50	20	DDGD	
Cc1ccc2c(c1C)C(=NNC(=O)C(=O)NC(C)C)CCO2	737426562	BGFDUNWLMUGQKY-UHFFFAOYSA-N	303.362	1.431	50	20	DDGD	
Cc1nc(C=NNC(=O)[C@@H](C)CN2C[C@H](C)O[C@H](C)C2)cs1	916372229	PEVDGLMHXUDYOC-SDDRHHMPSA-N	324.450	1.647	50	20	DDGD	
CCCOc1ccc(C(C)=NNC(=O)C(N)=O)cc1OCCC	916273818	BVKUBOHIEHMDFD-UHFFFAOYSA-N	321.377	1.590	50	20	DDGD	
O=C(O)CCOc1ccc(C=NNC(=O)c2ccc[nH]2)cc1	915956470	ZVPIAEUPTDIPER-UHFFFAOYSA-N	301.302	1.632	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1ccc(C#N)cc1	916362860	PTXDBSFFPOXNIH-CYBMUJFWSA-N	314.389	1.367	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=Cc2csnn2)cc1	915953425	MFILKGKHXPAJAE-JTQLQIEISA-N	320.374	1.854	50	20	DDGD	
CCN(CC)C(=O)c1ccc(C(=O)NN(C)CCOC)cc1	837624050	VIWAJCBRGOJUBG-UHFFFAOYSA-N	307.394	1.392	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2c(O)n1)c1ccncc1	919148418	ZPCIYOMYUARLMC-UHFFFAOYSA-N	308.297	1.410	50	20	DDGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1nc[nH]n1	748694337	LPBGCTFCVFNLOR-UHFFFAOYSA-N	301.228	1.503	50	20	DDGD	
COc1ccc([C@H](C)C(C)=NNC(=O)C(=O)NC(C)C)cc1	747629850	MSXSUNQDABVQCA-LLVKDONJSA-N	305.378	1.815	50	20	DDGD	
CNS(=O)(=O)c1csc(C(=O)NNc2ccccc2)c1	748841200	MPPOXMCHTBRSII-UHFFFAOYSA-N	311.388	1.413	50	20	DDGD	
C[C@H](C(=O)NNC(=O)COc1ccccc1F)c1ccco1	741659335	DOLMJPUWJBWIJQ-JTQLQIEISA-N	306.293	1.749	50	20	DDGD	
COc1cccc(OC)c1CNS(=O)(=O)CBr	849425943	DFFBAJVZCCICME-UHFFFAOYSA-N	324.196	1.476	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNc1ncc(Br)cn1	848321705	BLEWTJKLODDMEZ-MRVPVSSYSA-N	317.187	1.745	50	20	DDGD	
CCC[C@](C)(N)C(=O)NNc1ncc(Br)cn1	848436031	DDRGJBLUKDVWBJ-JTQLQIEISA-N	302.176	1.200	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccncc1)c1cccc(C#N)c1	747508250	CALWLRVMJQZKDO-GFCCVEGCSA-N	323.356	1.587	50	20	DDGD	
CC(C)c1nc(C(=O)NNc2ccnc(N(C)C)n2)cs1	740107897	OXZKRMDZVKORJG-UHFFFAOYSA-N	306.395	1.879	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)c2ccc(C)cc2O)[nH]1	747632427	CRLGGRCTPXXIDK-UHFFFAOYSA-N	301.302	1.579	50	20	DDGD	
CC(C)c1ccc(OCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	843647058	MFXXLFUXFRSETK-DOMZBBRYSA-N	320.389	1.761	50	20	DDGD	
CC[C@H](C)C(=O)NN=C(C)c1cccc(S(=O)(=O)NC)c1	915977323	QRSLWHAAMKVFGH-JTQLQIEISA-N	311.407	1.481	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccccc1OCc1cscn1	910180066	QOSCHEJKPWTCKQ-LLVKDONJSA-N	321.402	1.680	50	20	DDGD	
COCCn1cc(NC(=O)NNC(=O)c2ccccc2F)cn1	918542858	NCVNWAGJJNUXCS-UHFFFAOYSA-N	321.312	1.135	50	20	DDGD	
CO[C@@H](C=NNC(=O)[C@@H]1COc2ccccc2O1)CC(C)C	841604009	JZHFCKPCXSBLCM-DOMZBBRYSA-N	306.362	1.990	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCCC[C@H](C)CO)cc1	845079546	CBSVJWFZNMVRAQ-LBPRGKRZSA-N	323.393	1.437	50	20	DDGD	
CCOc1cc(C=NNC(=O)Cn2nc(C)cc2C)ccc1O	916343152	NCCUMADUONMIIG-UHFFFAOYSA-N	316.361	1.755	50	20	DDGD	
Cc1cc(F)c(C=NNC(=O)C(=O)N2CCCC2)c(Cl)c1	841622535	WOZYSPRUPHSVRP-UHFFFAOYSA-N	311.744	1.860	50	20	DDGD	
CCn1cncc1C=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1	841614583	MYEOYVFKEJVTLY-MCIONIFRSA-N	321.425	1.098	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@H](c2ccncc2)C1	846907160	FPCHXWYCRKOZMC-HIFRSBDPSA-N	318.421	1.453	50	20	DDGD	
CC[C@@H](C#N)C(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1	845089051	REFPQUSKDQWONS-NSHDSACASA-N	319.361	1.793	50	20	DDGD	
CCOc1cccc(C=NNC(=O)C(=O)NC(CC)CC)c1O	740762544	WNOMGWSTKWDNGW-UHFFFAOYSA-N	321.377	1.546	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H]1CCCCN1Cc1ccccc1	746170565	JJGNJIUSFFAZKG-HNNXBMFYSA-N	318.421	1.782	50	20	DDGD	
CSc1ccc(O)c(C(=O)NNC(=O)NCC(F)(F)F)c1	847117618	XEEAMDZZJXNAHR-UHFFFAOYSA-N	323.296	1.620	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)NC1CC2(CCC2)C1	845722576	OMLMVGHMODLKCA-UHFFFAOYSA-N	318.333	1.872	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)c2c(C)noc2C)cc1	846370277	IFELTKQMUODQQM-UHFFFAOYSA-N	303.318	1.764	50	20	DDGD	
COCCn1cc(C=NNC(=O)c2ccc3c(c2)OCO3)cn1	743421268	VDVNSVIZWPESBN-UHFFFAOYSA-N	316.317	1.022	50	20	DDGD	
C[C@@H](Cc1cnc[nH]1)C(=O)NNC(=O)NCCc1cccs1	847390714	KKWVDUUZXDVAGG-JTQLQIEISA-N	321.406	1.223	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NCCSSC)cc1N	841125622	SJKDBJXRGLYRKZ-UHFFFAOYSA-N	315.420	1.343	50	20	DDGD	
CCn1nncc1C(=O)Nc1cccc(NC(=O)NN(C)C)c1	843871162	FGZZENCJGRRINO-UHFFFAOYSA-N	317.353	1.148	50	20	DDGD	
CC(CS(=O)(=O)c1ccccc1)=NNC(=O)[C@@H]1CCO[C@@H]1C	842551253	CKEWTYWVHIRDMG-TZMCWYRMSA-N	324.402	1.377	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@H]2C=NNC(=O)CC(F)(F)F)cn1	853293078	QVWAXZHBBQEGLH-JOYOIKCWSA-N	318.299	1.942	50	20	DDGD	
O=C(CO)NNC(=O)C[C@@H](Cc1ccccc1)c1ccccc1	753445873	UOAQGWASHUNNBP-MRXNPFEDSA-N	312.369	1.543	50	20	DDGD	
Cc1nnc([C@@H](C)NC(=O)NNC(=O)c2ccccc2)s1	759217244	SAWKICPCLBVIPZ-MRVPVSSYSA-N	305.363	1.552	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCn2cc(C)cn2)c1C	855627627	VDEUYYUSIBVZQT-UHFFFAOYSA-N	316.361	1.820	50	20	DDGD	
O=C(CCC[C@H](O)c1ccccc1)NNC(=O)[C@H]1CCCCO1	854682422	AMCLOGWFQPOYMH-LSDHHAIUSA-N	320.389	1.607	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCC[C@H](O)c1ccccc1	854186441	ZAEXPJCQXAIOSB-ZDUSSCGKSA-N	307.419	1.572	50	20	DDGD	
CCc1nn(C)cc1C(=O)NC[C@]1(C)C[C@H]1Br	857395653	SSKIJAJZNMSVFE-PWSUYJOCSA-N	300.200	1.886	50	20	DDGD	
CC(C)N1CC(=NNC(=O)[C@H](C)CN2CCCCC2)[C@H](C)C1	754256357	ASHPRWWUFVDRMB-HUUCEWRRSA-N	308.470	1.941	50	20	DDGD	
CNC[C@H](C)NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	851680607	IWHINAOXIIPRGZ-NSHDSACASA-N	306.410	1.536	50	20	DDGD	
Cc1cc(NNC(=O)[C@]2(C)CC(c3ccccc3)=NO2)ncn1	857127568	UIYNQTJVWWPGRZ-INIZCTEOSA-N	311.345	1.811	50	20	DDGD	
Cn1nc(CC(=O)NNc2ncncc2F)c2ccccc21	857511534	RZNRLLGPAXVPKA-UHFFFAOYSA-N	300.297	1.188	50	20	DDGD	
Cn1nc(C(F)(F)F)cc1C(=O)NNc1ncc(F)cc1F	857533642	GZDPILAFKPDOSD-UHFFFAOYSA-N	321.209	1.869	50	20	DDGD	
C[C@]1(CNC(=O)NCCc2cn[nH]c2)C[C@H]1Br	856859051	FIIBSWHQSHAJTG-MWLCHTKSSA-N	301.188	1.425	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NN=C2CN(C)C[C@@H]2C)cc1	752164658	WITAIQGDVDAWNF-QWHCGFSZSA-N	319.405	1.906	50	20	DDGD	
CC(C)(C(=O)NNc1ncc(F)cc1F)S(=O)(=O)C1CC1	857533755	KXGMBFYXBVEKJB-UHFFFAOYSA-N	319.333	1.159	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@](O)(CC#N)C2)C[C@H]1Br	856961329	YALKUGMCAFIBFD-YUSALJHKSA-N	316.199	1.220	50	20	DDGD	
O=C(NN=Cc1nc(-c2ccccc2)cs1)C(=O)NC1CC1	755611675	OLWBQMAZQRJONH-UHFFFAOYSA-N	314.370	1.539	50	20	DDGD	
CCCOc1ccc(NC(=O)NNC(=O)CO)cc1Cl	756089833	URIITYSPMAKOJX-UHFFFAOYSA-N	301.730	1.274	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2C[C@H](C)Cc3c[nH]nc32)nc1	857867577	ZJFUBIWUSMWIGB-SKDRFNHKSA-N	301.350	1.623	50	20	DDGD	
C[C@H](Oc1cccc(F)c1)C(=O)NNC(=O)OCC(F)(F)F	856024980	GTZSSKFGFWMHDS-ZETCQYMHSA-N	324.230	1.913	50	20	DDGD	
O=C(CSC(F)(F)F)NNC(=S)NCC1CCC1	855092237	WRGHFIHYAAWALO-UHFFFAOYSA-N	301.359	1.535	50	20	DDGD	
N#Cc1csc(C(=O)NNc2nc(-c3cccnc3)no2)c1	752627443	SCOXCDQVBLJRBD-UHFFFAOYSA-N	312.314	1.822	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)NCC2=CCCC2)c1	852636014	YGUAQNCBGPVCSP-UHFFFAOYSA-N	319.361	1.758	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)CCCNC(=O)C(C)(C)C)o1	855831706	CLYHWCSYHOPZBQ-UHFFFAOYSA-N	323.393	1.220	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1coc(C(N)=O)c1)c1ccccc1	759857045	HIQOCOSEBSAMSP-LBPRGKRZSA-N	315.329	1.333	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H]2CCc3nnc(C)n3C2)n1	750794951	MQPUYLPQUOFPDY-VIFPVBQESA-N	321.772	1.044	50	20	DDGD	
COCc1ncsc1C(=O)NNCC(F)(F)C(F)(F)F	863098592	PAHDCMVIIPHNRR-UHFFFAOYSA-N	319.255	1.722	50	20	DDGD	
CCc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)COCCOC	869905896	QGXBCSPNHBCZPY-LSDHHAIUSA-N	320.389	1.163	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1ccc(F)c(Cl)c1	862096142	SWJUZAAOVVADBN-WPRPVWTQSA-N	314.744	1.594	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1	863853170	AWDZCWQPUZKJMF-FOCJUVANSA-N	319.405	1.614	50	20	DDGD	
C[C@H](NC(=O)C(C)(C)C)C(=O)NNc1nc2ccccc2[nH]1	768501038	ZMIKAMFJTLPMLR-VIFPVBQESA-N	303.366	1.557	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NNC(=O)c1ccc2c(c1)OCO2	862994457	VBLHSCIKUXVBBF-NSHDSACASA-N	319.361	1.049	50	20	DDGD	
O=C(NN=C1CCN(c2nccs2)CC1)c1cnccn1	764684672	OTTSRSWXLQTDNF-UHFFFAOYSA-N	302.363	1.319	50	20	DDGD	
CC(C)(C)NCCC(=O)NNc1nc(-c2ccccc2)no1	932469746	SFBLWNPMRBJTHL-UHFFFAOYSA-N	303.366	1.958	50	20	DDGD	
CN(C)c1ccc2c(c1)NC(=O)C2=NNC(=O)NCC1CC1	761798937	DTNMHJLHNNPBIX-UHFFFAOYSA-N	301.350	1.118	50	20	DDGD	
CCOC(=O)c1ncc(/C=C(/C#N)S(=O)(=O)CC)s1	865223039	DIFJQHIXCOOKQU-UITAMQMPSA-N	300.361	1.619	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(C(F)(F)F)cn1)[C@H]1CCC(=O)N1	860938291	UJUQDEGXPCOJNX-VXNVDRBHSA-N	316.283	1.458	50	20	DDGD	
CC(=O)Nc1ccccc1CC(=O)NNc1cc(C)nc(C)n1	769993232	YPZUREHQHAYMMN-UHFFFAOYSA-N	313.361	1.738	50	20	DDGD	
Cc1onc(-c2ccncc2)c1C(=O)NNC(=O)NCC1CC1	765122518	VPEFGEJPGAIYOC-UHFFFAOYSA-N	315.333	1.399	50	20	DDGD	
Cc1cn2ccnc(C(=O)NNC(=O)Nc3ccccc3C)c2n1	762951883	LGHZYYCWMSVJRI-UHFFFAOYSA-N	324.344	1.813	50	20	DDGD	
Cc1csc(CCC(=O)NNc2cc(Cl)nc(N)n2)n1	768203658	VSWWECLVZZKTCJ-UHFFFAOYSA-N	312.786	1.553	50	20	DDGD	
CC(=NNC(=O)c1cc(Br)c[nH]1)c1ccnn1C	766002942	RRNPRHTXULKLFM-UHFFFAOYSA-N	310.155	1.665	50	20	DDGD	
Cc1cccc(NNC(=O)[C@]2(c3ccccc3)CCC(=O)NC2)n1	862519757	QYJVMDBBVXWCAE-GOSISDBHSA-N	324.384	1.681	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)CC(F)(F)F)c(C2CC2)n1	869019369	AUFJQVTTWOTVCK-UHFFFAOYSA-N	304.272	1.494	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](F)c1ccccc1	768996390	NHDMSUJNKDCQJT-GFCCVEGCSA-N	309.341	1.149	50	20	DDGD	
C[C@@]1(C(=O)N2CCC3(CC2)CC(=O)N3)C[C@@H]1Br	1119623841	IGQWSCNVWOUIGK-GZMMTYOYSA-N	301.184	1.041	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNC(=S)Nc1cc(C)ccc1C	873758477	UMJGPRCAANWFSH-GFCCVEGCSA-N	322.434	1.536	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1ccc(SC)cc1	878094013	FRMJHRJAFSSDSC-UHFFFAOYSA-N	313.379	1.224	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1cnn(-c2ccccc2)c1	775528728	BSRFMMFLGIDKLT-UHFFFAOYSA-N	321.340	1.954	50	20	DDGD	
Cc1ccn(C)c(=O)c1NC(=O)NNc1nccnc1C(C)C	770568332	MQENYYMIYUOKQJ-UHFFFAOYSA-N	316.365	1.756	50	20	DDGD	
O=C(CO)NN=C1CCSc2ccc(Br)cc21	776780363	GMTKSDGLCPRBOI-UHFFFAOYSA-N	315.192	1.758	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(O)c(Cl)c1	771876689	XCIRQHKTAULXNW-SSDOTTSWSA-N	314.725	1.148	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)N2CC=CCC2)C[C@H]1Br	1118763775	JOEINSYHQONPFH-SKDRFNHKSA-N	301.184	1.065	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COCc2ccccc2)cc(O)n1	777407131	OWNQNWOIXKZXDC-UHFFFAOYSA-N	315.329	1.073	50	20	DDGD	
O=C(NN=Cc1ccc(O)c(C(=O)O)c1)c1ccc(Cl)nc1	777432409	CLPKYJMLLHZROL-UHFFFAOYSA-N	319.704	1.903	50	20	DDGD	
Cc1cnc(Br)cc1NC(=O)NNC(=O)C(C)C	776040673	XDSCPPQTTDAYNJ-UHFFFAOYSA-N	315.171	1.961	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=S)Nc1ccccc1OC	873770452	MTJYSACZLOPEET-GFCCVEGCSA-N	311.407	1.828	50	20	DDGD	
CC(C)(C)NC(=O)CCNC(=O)NNc1cc(Cl)ccn1	778651641	WPVMGCVETLLAQC-UHFFFAOYSA-N	313.789	1.666	50	20	DDGD	
CCN1CCO[C@@H](C(=O)NNC(=S)Nc2cccc(C)c2)C1	873775434	GGQMLTNITNQIFA-CYBMUJFWSA-N	322.434	1.033	50	20	DDGD	
CC(=NNC(=O)COCc1ccccc1)c1cnn(C)c1C	778541610	NHKKRRRYMQRGQN-UHFFFAOYSA-N	300.362	1.786	50	20	DDGD	
CC(=NNC(=O)c1cccnc1)c1cc(C(=O)O)c(C)nc1C	776721587	HMDOWTRUUABMHL-UHFFFAOYSA-N	312.329	1.946	50	20	DDGD	
CO[C@H]1CCC[C@H]1CNC(=O)NNC(=O)c1ccccc1C	774659186	MCJCSKPGISFKIU-JSGCOSHPSA-N	305.378	1.754	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNc2nc(-c3cccnc3)no2)o1	772246142	JPNVWGRTMZCUMI-UHFFFAOYSA-N	313.273	1.684	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNc1ccc(F)c(F)c1	885110564	IHBVGPFCPLRYFF-UHFFFAOYSA-N	301.293	1.933	50	20	DDGD	
O=C(c1cccc(CCl)c1)N1CCN(Cc2nc[nH]n2)CC1	1120749408	KPWIMHCXZUSXFD-UHFFFAOYSA-N	319.796	1.502	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CCCC(=O)[C@@H]2C)cc(C#N)n1C	885036020	JXKOPEDLWZSIMY-FUEWVNAISA-N	310.357	1.692	50	20	DDGD	
CCN1CCCC[C@@H]1CNC(=O)NNc1ccc(C#N)cn1	888244677	HPNWKEDPZRBMJM-CYBMUJFWSA-N	302.382	1.454	50	20	DDGD	
CC(C)(NS(=O)(=O)CCCCl)C(=O)Nc1ccccc1	881872719	ODLAJXZVDBPRMI-UHFFFAOYSA-N	318.826	1.952	50	20	DDGD	
COCCOCC(=O)NNc1cc(Br)ccc1F	885148135	XIJFYTOEWAWNLB-UHFFFAOYSA-N	321.146	1.694	50	20	DDGD	
Cc1nscc1C(=O)NNC(=O)CSc1ccccc1O	781354814	VKTQYHCHEFQKAS-UHFFFAOYSA-N	323.399	1.710	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ccc(Cn2cccn2)cc1	782565308	JDKVGOCGNCKQMV-UHFFFAOYSA-N	313.361	1.884	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1ccc(S(C)(=O)=O)s1	787141927	QQJGFFKJGCPBFY-VQHVLOKHSA-N	314.388	1.212	50	20	DDGD	
CC1(N2CCCC2)CCC(=NNC(=O)c2cnccn2)CC1	884412350	OKIBVIJSXCTLSF-UHFFFAOYSA-N	301.394	1.991	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)c1cc[n+]([O-])cc1	787434814	ZEGFEAJGFUKAPY-UHFFFAOYSA-N	320.736	1.118	50	20	DDGD	
CC[C@H]1C[C@H](C(=O)NNc2nc(-c3cccnc3)no2)CCO1	780474683	MOLFWHOXFZRPQC-PWSUYJOCSA-N	317.349	1.780	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(C(F)(F)F)nn1C	887149502	YTDVGZMRDQIHPH-UHFFFAOYSA-N	302.256	1.003	50	20	DDGD	
COc1ccc(NNC(=O)c2c(C)nc(C(C)C)nc2O)nc1	781534312	ZPQPLBOGDCYSRW-UHFFFAOYSA-N	317.349	1.775	50	20	DDGD	
C[C@H]1C(=O)Nc2cc(C(=O)NN=c3cc[nH]cc3)ccc2N1C	780761380	WJHDEMWPBIMTBD-JTQLQIEISA-N	311.345	1.037	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(F)c1	880318264	CRVCBGYXTJIACV-WPRPVWTQSA-N	311.313	1.412	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@@H]1CCc2cc(C#N)ccc21	787429009	YPCQLNVSVAVGTC-CYBMUJFWSA-N	300.362	1.922	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1c(F)cc(F)cc1F	784796230	IFHJEFINGLECII-UHFFFAOYSA-N	310.235	1.581	50	20	DDGD	
COCc1ncsc1C(=O)NNc1ccccc1[N+](=O)[O-]	785669538	DRFAVBVKPUKWRR-UHFFFAOYSA-N	308.319	1.955	50	20	DDGD	
O=C(Cc1cncs1)NNc1nnc(-c2ccccn2)s1	788558471	MEXRHWJVUBFYPA-UHFFFAOYSA-N	318.387	1.742	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)COc2cc(C)ccc2C)no1	895412117	ULAZVPRLONSAOK-UHFFFAOYSA-N	317.345	1.694	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC2CC2)c(OC(C)C)c1	789743839	ITIZYQUOJFHWJM-UHFFFAOYSA-N	321.377	1.836	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)NC/C=C/Cl)c1	899057093	KAQYRBDRLSMPFB-ZZXKWVIFSA-N	311.769	1.765	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1c(F)ccc(OC)c1OC	788502791	YGUYBZUXKVKFBK-UHFFFAOYSA-N	313.329	1.587	50	20	DDGD	
CCCN(C)CC(=O)NNc1nnc(-c2ccccn2)s1	788562347	CJVGTMQRNGVQFK-UHFFFAOYSA-N	306.395	1.385	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NNc1cc(C#N)cc(Cl)n1	897284194	SXBFYFAVCBUKBF-SNVBAGLBSA-N	307.785	1.923	50	20	DDGD	
CCc1occc1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	797486156	LDSRAERCIROBSB-SNVBAGLBSA-N	310.350	1.581	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)Cc2cc[nH]n2)c1	798249541	PLMMLXIKBQNWIA-UHFFFAOYSA-N	302.338	1.189	50	20	DDGD	
CC(=NNC(=O)[C@H](C)Oc1ccccc1F)c1ccc(O)nn1	790149547	DYDWYPUOKGSBPR-JTQLQIEISA-N	318.308	1.629	50	20	DDGD	
CC(C)N1CCC[C@@H]1C(=O)NNC(=O)CCc1ccccc1O	894370103	QDODWDWPRBBXIR-CQSZACIVSA-N	319.405	1.345	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)C[C@H]1CCCOC1	792808520	IIGXBUHNNDZHDO-GFCCVEGCSA-N	315.373	1.675	50	20	DDGD	
C=C(CBr)CN1CCS(=O)(=O)[C@H]2CCCC[C@@H]21	791472220	GGEIQVUWWGLRBP-RYUDHWBXSA-N	322.268	1.979	50	20	DDGD	
O=C(CC1OCCO1)NNC(=O)c1ccc2ccccc2c1	793102160	CKYRJTVFKBCSRF-UHFFFAOYSA-N	300.314	1.364	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccccc1)[C@H]1CCC(C)(C)C1	796526171	RSBJQPJHZYXPMU-AWEZNQCLSA-N	303.406	1.958	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1cccc(N2CCC2=O)c1	794903833	QEIFAFDOIKLELK-UHFFFAOYSA-N	318.377	1.483	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cccc(Cl)n2)cc1	793033745	FGLOEWGNFLLGGR-UHFFFAOYSA-N	320.736	1.825	50	20	DDGD	
CO[C@H]1CCN(C(=O)NNC(=O)c2cccc(C#N)c2)[C@@H](C)C1	799369298	OLSMHMMARQFCPD-FZMZJTMJSA-N	316.361	1.412	50	20	DDGD	
COCc1cc(C=NNC(=O)Cc2c[nH]c3ccccc23)no1	794878466	BDFZHIDRGREIAQ-UHFFFAOYSA-N	312.329	1.995	50	20	DDGD	
CO[C@H](C)CC(=O)NNC(=O)c1cncn1-c1ccccc1	1318090440	JXRCVIGDFNWMRL-LLVKDONJSA-N	302.334	1.058	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CC[C@H]2CC[C@H](C)O2)cc1	1318907886	SIYOQACXRRHZBI-SMDDNHRTSA-N	306.362	1.804	50	20	DDGD	
Cc1cc(NNC(=O)c2cnn(C)c2C(F)(F)F)ncn1	1318848126	SIDYDXYXHAXJCA-UHFFFAOYSA-N	300.244	1.294	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cc(C)nc(O)c2)cc1	1321463664	SWSHPHJGMUVERT-UHFFFAOYSA-N	316.317	1.571	50	20	DDGD	
C[C@@H](Sc1ccccc1C(=O)NNc1cccnn1)C(N)=O	1321273488	MMALCVUIVNHYLC-SECBINFHSA-N	317.374	1.199	50	20	DDGD	
CC1(NC(=S)NNC(=O)c2cncn2-c2ccccc2)CC1	1327620280	HKJHQAPWNHROHA-UHFFFAOYSA-N	315.402	1.534	50	20	DDGD	
O=C(NNc1nccc2sccc12)C(=O)Nc1cncnc1	1320869513	YQCVQXCCNLBECW-UHFFFAOYSA-N	314.330	1.168	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)c2cc(F)ccc21	1324513063	UMDGCOKJDLQHSS-AWEZNQCLSA-N	319.336	1.648	50	20	DDGD	
CO[C@@H](C(=O)NNc1cncc(Br)c1)C(C)C	1255090069	SODWFTJTXUCJRW-SNVBAGLBSA-N	302.172	1.958	50	20	DDGD	
CC1(C)CCN1C(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1334704510	VHHQRXKELHRLDM-PELKAZGASA-N	303.200	1.287	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H]2CCCC[C@H]2C1)c1ncccn1	1261373337	ASUINJXXMYDELD-NEPJUHHUSA-N	303.366	1.343	50	20	DDGD	
COc1cc(C(=O)NNc2ccncn2)cc2c1O[C@H](C)C2	1344383176	SYGJAZUVARJYFP-SECBINFHSA-N	300.318	1.566	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1ccc(-n2ccnc2)nc1	1601561243	WXONPNGZGVWBQB-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
C[C@H]1COCC[C@@H]1CNC(=O)NNc1cccc(C(=O)O)c1	1604817913	FZCXVNJWYBNQJG-CMPLNLGQSA-N	307.350	1.684	50	20	DDGD	
Cc1c(NNC(=O)COCc2nccn2C)cccc1C(=O)O	1600052465	LVMYIQWPCFQCKC-UHFFFAOYSA-N	318.333	1.087	50	20	DDGD	
Cc1c(NNC(=O)c2ncc3n2CCCC3)cccc1C(=O)O	1600054762	GGUUMYVMAIMODM-UHFFFAOYSA-N	314.345	1.983	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccc(C(=O)O)cn1	1607826464	OTTHLMYLRAYEOG-UHFFFAOYSA-N	316.273	1.753	50	20	DDGD	
Cc1cn(C(C)(C)C(=O)NNc2ncccc2C(=O)O)cn1	1605366968	DVFICWCALLAMJY-UHFFFAOYSA-N	303.322	1.163	50	20	DDGD	
Cn1cnc(/C=C/C(=O)NNc2ccc(C(=O)O)cc2F)c1	1608134241	ORHRNVHYFYWGPD-HWKANZROSA-N	304.281	1.414	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cccc3nn[nH]c23)c1F	1602449947	FCYLULLHYADNBK-UHFFFAOYSA-N	315.264	1.552	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@@H](C(=O)O)C(C)(C)C)C1CC1	1603243348	QBMROQDMNNAFJJ-APPZFPTMSA-N	301.412	1.027	50	20	DDGD	
O=C(COCC1CC1)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1609530219	YERDJRITCWXVNV-UHFFFAOYSA-N	322.756	1.390	50	20	DDGD	
Cc1cc(C#N)cc(C)c1CC(=O)NNc1ccc(C(=O)O)cn1	1600074368	ALXJTQCKYOSVMQ-UHFFFAOYSA-N	324.340	1.954	50	20	DDGD	
N#CCc1ccnc(NC(=O)NNc2cccc(C(=O)O)c2)c1	1601078909	ILOBRWGRTNFEFD-UHFFFAOYSA-N	311.301	1.994	50	20	DDGD	
O=C(/C=C/c1cc(C(=O)O)co1)NNc1nc2ccccn2n1	1608285173	PJIZXVSFLSFBGO-SNAWJCMRSA-N	313.273	1.177	50	20	DDGD	
O=C(O)[C@@]1(C(F)(F)F)CCN(S(=O)(=O)CCCCl)C1	1608569026	IXQLBFPXALBFDR-MRVPVSSYSA-N	323.720	1.284	50	20	DDGD	
O=C(NN[C@@H](Cc1ccc(F)cc1)C(=O)O)c1ccccc1	1610701541	SIRXNDXVPMCWHL-AWEZNQCLSA-N	302.305	1.756	50	20	DDGD	
O=C(NN=C1CCCc2ccccc21)[C@H]1CN2CCC[C@H]2CO1	1549315107	LFDXCWGWKJLXQJ-WMLDXEAASA-N	313.401	1.706	50	20	DDGD	
O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C1CCC(Cl)CC1	1548637865	XLZFOXXUPXYUMX-MMWSSPAHSA-N	322.792	1.935	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1C[C@@H](C)CCN1)c1ccccc1	1576938318	HJXYHOCFPWZTLS-QEJZJMRPSA-N	303.406	1.716	50	20	DDGD	
CCCN(NC(=O)[C@H]1CCO[C@@H]1CN)C(=O)OC(C)(C)C	1577531197	XJWQHSSOZRDWDZ-WDEREUQCSA-N	301.387	1.029	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@H]2C[C@]23CCCNC3)o1	1575866769	BTCMCSSMFATIHR-BMIGLBTASA-N	303.366	1.502	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@H]1CNc2ccccc21	1580544216	FIQMCPDCMOFETI-HNNXBMFYSA-N	309.369	1.976	50	20	DDGD	
CO/C=C(\C)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843364645	UWOHDCAGCDTDQY-ZKXNXJMVSA-N	304.749	1.274	50	20	DDGD	
O=C(Cc1ccsc1)NNC(=O)[C@@]1(C(=O)O)CC=CCC1	1594711853	NETTXRGCPGALAY-CQSZACIVSA-N	308.359	1.249	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1cnn(-c2ccccc2)n1	1594781135	HFVQZWJERBRKFS-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
Cn1c(=NNC(=O)[C@@]2(C(=O)O)CC2(C)C)sc2ccccc21	1594515576	KFDFAESYTXPGPR-OAHLLOKOSA-N	319.386	1.673	50	20	DDGD	
CC1(C)OCC[C@@H]1NC(=O)NNc1ccc(CC(=O)O)cc1	1593980816	GGDZTPRFUFLROV-LBPRGKRZSA-N	307.350	1.507	50	20	DDGD	
C[C@@H](Oc1cccc(C=NNC(=O)c2ccnnc2)c1)C(=O)O	1776081291	HZGUTAUJIFWPDK-SNVBAGLBSA-N	314.301	1.092	50	20	DDGD	
N#Cc1ccc(C(=O)O)c(C=NNC(=O)c2ccc(N)cc2)c1	1776014907	NDGKZTKRENIXOA-UHFFFAOYSA-N	308.297	1.603	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C/c1ccccc1OCCC(=O)O	1776120687	QNTRFZMLDTVGDQ-JLHYYAGUSA-N	300.314	1.749	50	20	DDGD	
COc1ccc(C)c(C=NNC(=O)C2CCOCC2)c1C(=O)O	1776102862	AYBABIGCBYMXQY-UHFFFAOYSA-N	320.345	1.579	50	20	DDGD	
CCCCCCNC(=O)/C(C#N)=C/c1cc(C(=O)O)nn1C	1776789334	YTMAIHOGIDITMW-DHZHZOJOSA-N	304.350	1.722	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)C1CC1	15663227	LPUPZVHAOXZDDK-JTQLQIEISA-N	321.764	1.250	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCOC[C@@H]1CC(=O)c1ccco1	158074086	NFJDXVWPDBMIJD-UKVQZPPCSA-N	318.329	1.524	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1cccc(-n2cccc2)c1	156228166	JJQJMSFWWVHERL-UHFFFAOYSA-N	319.328	1.901	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCCc1nc2cc(F)ccc2n1C	159451107	ZIEGUFUBEVQYTL-KHPPLWFESA-N	316.336	1.815	50	20	DDGD	
CC#CC[C@H](CO)NS(=O)(=O)c1ccc(CCCl)cc1	717770420	PWFDAXPCPOPXFB-CYBMUJFWSA-N	315.822	1.521	50	20	DDGD	
CCC1=NO[C@@H](C(=O)NCCSSCCC(=O)O)C1	2088599286	BBIULRJKDZIARX-SECBINFHSA-N	306.409	1.514	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2ccncc2)cc1	6426945	UOSDBMZZMIRJIS-UHFFFAOYSA-N	301.371	1.943	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCOc2ccc(F)cc2)n1	174491475	NYIOPTVJUOSNKN-UHFFFAOYSA-N	320.324	1.845	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cnc(-c2ccccc2)nc1	109860404	RRZAFQUWVHLJSU-UHFFFAOYSA-N	322.328	1.250	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H](C)n1cncn1)c1ccccc1	171879750	PHDWLBGIEFZVNE-DGCLKSJQSA-N	301.350	1.180	50	20	DDGD	
O=C(CNC(=O)c1ccccc1)NNc1nccnc1Cl	114894050	XIMLRYQWDMZUEM-UHFFFAOYSA-N	305.725	1.003	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNc2ccc(Cl)nn2)c1	118503863	YWQLWTDZZCJJIK-UHFFFAOYSA-N	308.725	1.904	50	20	DDGD	
O=C(CCC(=O)c1ccc(F)cc1F)NNc1ncccn1	52410550	QOWLTDYVDRTXMF-UHFFFAOYSA-N	306.272	1.861	50	20	DDGD	
CC(C)=CC(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1	170677993	BVBLIZOYGQWREO-UHFFFAOYSA-N	309.391	1.537	50	20	DDGD	
O=S(=O)(CCl)NC[C@@H](c1cccs1)N1CCOCC1	104334809	HFGULKWXEXPFLX-JTQLQIEISA-N	324.855	1.237	50	20	DDGD	
Cn1c(C(=O)NNC(=O)Cc2cccnc2)cc2ccccc21	103423114	PMZINRQSMGBTDH-UHFFFAOYSA-N	308.341	1.577	50	20	DDGD	
Cn1nnc2cc(C(=O)NNC(=O)CCc3ccccc3)ccc21	103783863	AWCBECBJEAVDKU-UHFFFAOYSA-N	323.356	1.362	50	20	DDGD	
CCCCN1CCCC[C@H]1CNC(=O)NNC(=O)COCC	66704565	XJQPNQQCIRQRTJ-ZDUSSCGKSA-N	314.430	1.008	50	20	DDGD	
CCCNC(=O)CCNC(=O)c1c(C)nn(CCCl)c1C	174729360	UIDFYFYQOKOBCA-UHFFFAOYSA-N	314.817	1.385	50	20	DDGD	
Cc1ccc(F)cc1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	68742345	AQVGIESRUJLCOT-GFCCVEGCSA-N	314.382	1.240	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc(Br)cn1	171354306	PJOAWQYSSQUSKX-UHFFFAOYSA-N	323.150	1.257	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN([C@H](C)c2cccnc2)CC1	178966874	RVMSQBKIVSAFKD-LBFFYKKLSA-N	314.389	1.731	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CC[C@@]3(CCOC3)C2)cc(C#N)n1C	177043081	RTLCDDORTUCZRP-YLRAASNFSA-N	324.384	1.751	50	20	DDGD	
CCCCN(C)CCNC(=O)NNC(=O)CCc1ccccc1	112466460	TYRPJSDCFXTBDF-UHFFFAOYSA-N	320.437	1.682	50	20	DDGD	
Cn1cnc(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)c1	178165303	XKSSVMICNUAFLU-UHFFFAOYSA-N	318.402	1.825	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCCc2cscn2)cc1	119152725	HZLPTROORDZOHN-UHFFFAOYSA-N	315.358	1.201	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1nc(C)nc2ccccc12	117545678	CCWRQJXFVHRJIG-SECBINFHSA-N	318.402	1.976	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccccc2C(F)(F)F)cn1	117680951	OYKCHRFUTDGZOA-UHFFFAOYSA-N	312.251	1.514	50	20	DDGD	
CNc1snc(C)c1C(=O)NNC(=O)c1ccc(C#N)cc1	61465388	VPGQKMDYZCMHPM-UHFFFAOYSA-N	315.358	1.440	50	20	DDGD	
CCC1(C(=O)NNC(=O)CNc2cccc(OC)c2)CCC1	175875536	WEETUQNJMXAIAH-UHFFFAOYSA-N	305.378	1.835	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Cc1cc[nH]n1)c1ccc(F)cc1	124898713	DBAJKCSYWLTNNJ-ZDUSSCGKSA-N	304.325	1.433	50	20	DDGD	
CC1(C)C[C@@H](NC(=O)NNC(=O)CCc2ccccc2)CCO1	125774407	AFRCUYBMEUSYNW-AWEZNQCLSA-N	319.405	1.907	50	20	DDGD	
O=C(COC[C@H]1CCCO1)NNc1ccc(OC(F)F)cc1	123133768	UPGNUPXLLKPHGX-GFCCVEGCSA-N	316.304	1.927	50	20	DDGD	
NC(=O)NCCCCC(=O)NNc1c(F)cccc1Cl	185435703	UNRQRQUWNSVPOJ-UHFFFAOYSA-N	302.737	1.761	50	20	DDGD	
COCCC[C@H](C)C(=O)NNC(=O)CNc1ccc(C)cc1C	183494519	YIHVZCUENWOTOP-ZDUSSCGKSA-N	321.421	1.925	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)CCOCC(C)C	32047095	JCQCNJQUGLEQJN-UHFFFAOYSA-N	318.377	1.466	50	20	DDGD	
Cc1cc(C)c2cc(C(=O)NNC(=O)C(=O)NC(C)C)[nH]c2c1	73120513	YJKXFFMJRSOIEG-UHFFFAOYSA-N	316.361	1.070	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2sc(C)nc2C)n1	78228914	MKEKZRNAKWGELL-UHFFFAOYSA-N	307.379	1.034	50	20	DDGD	
O=C(/C=C\c1ccc2c(c1)OCO2)NNC(=O)c1ccccn1	212583504	ZJHNKFKHHNGFEK-ALCCZGGFSA-N	311.297	1.285	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(F)cn1	122693955	BHPBBDNXJVWLRQ-UHFFFAOYSA-N	319.252	1.595	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](C)NC(=O)CC(C)(C)C)nc1	187463772	UZOOZHBFDXCEPY-SNVBAGLBSA-N	308.382	1.474	50	20	DDGD	
CN1CCC(N(CCO)C(=O)c2cccc(CCl)c2)CC1	37834285	IOHWBSOXYNUEDG-UHFFFAOYSA-N	310.825	1.954	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)Cc1cccc(F)c1	36112605	ZOWXUQDMRPAIES-UHFFFAOYSA-N	320.295	1.734	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccc[nH]1)c1ccc(F)cc1F	123183559	UZVWSZCKLOMVCW-QMMMGPOBSA-N	308.288	1.998	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)n1	186957277	FLUXCHPDAFFBGC-JTNHKYCSSA-N	321.425	1.655	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)C[C@@H]2CCC[C@@H](C)C2)n1	133932484	VUNAVWYKEQAEKJ-BXUZGUMPSA-N	306.410	1.864	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCC(F)(F)F)cc1C	46916815	SCWSXMXAOVRROU-UHFFFAOYSA-N	319.283	1.575	50	20	DDGD	
COC(=O)CCC(=O)NNC(=O)c1ccc(Cl)cc1F	81029426	MHOLKRVNZBEDMZ-UHFFFAOYSA-N	302.689	1.193	50	20	DDGD	
O=C(CCC1CCOCC1)NNc1nc2ccccc2c(=O)[nH]1	137205924	VKLITILWVWTLAU-UHFFFAOYSA-N	316.361	1.573	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1n[nH]c2c1CCCCC2	190207455	JWNDJHHIWZBKKG-UHFFFAOYSA-N	317.349	1.416	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(-c3ccccc3)nn2)nn1	85656191	CHBJDRZKDWLHAX-UHFFFAOYSA-N	322.328	1.699	50	20	DDGD	
CCC(=O)N1CCC[C@@H](C(=O)NNC(=O)NC2CCCCC2)C1	194436366	UZGAFXNSHZENCX-GFCCVEGCSA-N	324.425	1.298	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C[C@@H]1CCCCO1	86991122	FBYMQHURRWOHRN-FZMZJTMJSA-N	324.352	1.700	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)Cc2cscn2)cc1	138694268	PCBMNDINYFBXER-UHFFFAOYSA-N	318.402	1.345	50	20	DDGD	
Cc1nc(CSCC(=O)NNC(=O)CC(C)C)cs1	48391048	OHLHRXIFRIPTQN-UHFFFAOYSA-N	301.437	1.878	50	20	DDGD	
CN(C)C(=O)NNC(=O)CCC(=O)c1ccc2c(c1)CCC2	194507410	DCOATZHNEQCAEW-UHFFFAOYSA-N	303.362	1.441	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cc2ccccc2c2cccnc12	192922615	LKQCATKPVGKIRQ-UHFFFAOYSA-N	323.352	1.920	50	20	DDGD	
O=C(/C=C\c1ccco1)NNC(=O)[C@@H]1COc2ccccc2O1	96543695	KRNJUUGDCPPBEI-DANTVBBOSA-N	314.297	1.280	50	20	DDGD	
CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NNc1cnccn1	265172522	OUZQMFMSMGNTJR-LLMHMKPQSA-N	321.406	1.178	50	20	DDGD	
CN1C[C@H](NC(=O)NNc2ccc(OC(F)F)cc2)CC1=O	267499210	MDVVYLQJIKQGHR-SECBINFHSA-N	314.292	1.145	50	20	DDGD	
Cc1nc2n(n1)C[C@H](NC(=O)NNc1ccc(Cl)nc1)CC2	266841105	ORORGEOLIZCDCJ-SNVBAGLBSA-N	321.772	1.276	50	20	DDGD	
CN1C[C@H](C(=O)NNc2cc(Cl)ccc2Cl)CC1=O	267893156	ZINYEXDNUCEWSF-SSDOTTSWSA-N	302.161	1.915	50	20	DDGD	
CCc1nn(C)cc1NC(=O)NNC(=O)c1ccccc1C	273446069	XKRUANKRELIFAH-UHFFFAOYSA-N	301.350	1.757	50	20	DDGD	
O=C(NN=c1nc(-c2ccccc2)[nH]o1)[C@@H]1CCc2nccn2C1	364953959	MRFBXWOSVQHQJU-GFCCVEGCSA-N	324.344	1.061	50	20	DDGD	
CC(C)NC(=O)NNS(=O)(=O)c1cc(C#N)ccc1Cl	274781375	XTOQGXHNQSMUEE-UHFFFAOYSA-N	316.770	1.113	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CC2CC2)cc1C(=O)N(C)C	273497830	YEQSXNFZUQHNPX-UHFFFAOYSA-N	318.377	1.650	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H]2CCO[C@H](C(C)C)C2)nc1	275834896	BOZZONIFQTYHPG-AAEUAGOBSA-N	308.382	1.920	50	20	DDGD	
CN(C)c1noc(CCC(=O)NNc2cc(Cl)ccn2)n1	275552799	GYFQVOVYNXXWMC-UHFFFAOYSA-N	310.745	1.260	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N2CC=C(C#N)CC2)C1	271176239	YARJDLLWALPCQM-CQSZACIVSA-N	303.406	1.953	50	20	DDGD	
O=C(NCCc1cn2c(n1)CCCC2)NNc1ncccc1F	367754663	WVDDPMMQOFMGRK-UHFFFAOYSA-N	318.356	1.622	50	20	DDGD	
C[C@@H]1[C@H](N2CCCC2)CCN1CCI	367889674	DPQQPLVNHKBIIU-GHMZBOCLSA-N	308.207	1.980	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cn(-c2ccccc2)nc1C	276036847	MVZQEUMMVKEEHN-UHFFFAOYSA-N	316.365	1.879	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)n1C	273249237	OBXASHATGYDAOR-JTQLQIEISA-N	324.381	1.008	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccc(-n2cccn2)nc1	274167139	NQAOWBVYBXVYJN-UHFFFAOYSA-N	318.337	1.829	50	20	DDGD	
Cc1ccc(F)c(C(=O)NNC(=O)N(C)C)c1Br	278770839	UMPNXAGTJIJNAM-UHFFFAOYSA-N	318.146	1.813	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1C[C@@]12CCCc1ccccc12	378553844	VEAXHGPDNXZSRQ-WMLDXEAASA-N	301.390	1.973	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@H]1COCCN1CC1CCC1	286370282	FAXWYVSRYLPKCU-GFCCVEGCSA-N	308.357	1.165	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccnc(O[C@@H](C)CC)c1	281160896	IDDHVDZYPMNNPF-JTQLQIEISA-N	308.407	1.554	50	20	DDGD	
O=C(NNc1ncccc1F)[C@@H]1CC(=O)N(Cc2ccco2)C1	285820916	BTLNMGRDDIVFOT-SNVBAGLBSA-N	318.308	1.306	50	20	DDGD	
CCOc1cccc(S(=O)(=O)NNC(=O)C(C)(C)C)c1	282169325	NSOKTBABGMQYFG-UHFFFAOYSA-N	300.380	1.441	50	20	DDGD	
CCC[C@@H]1C[C@H]1NC(=O)NNc1cccc(S(C)(=O)=O)c1	280895659	DVSKINHQGGUHRT-ZWNOBZJWSA-N	311.407	1.905	50	20	DDGD	
CS[C@H]1CC[C@H](N(C)S(=O)(=O)CBr)C1	707184975	AMTYCCMKFUYHPX-YUMQZZPRSA-N	302.259	1.885	50	20	DDGD	
COCCc1ccnc(NC(=O)NNC(=O)C2CCCC2)c1	806660520	FKIJMVJXYANIFI-UHFFFAOYSA-N	306.366	1.613	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccncc2C)cc1	802057900	RXJGDPKESJODGI-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
O=C(COC[C@H]1CCCO1)NNc1nccnc1C1CCC1	805467383	VPKUITUEMPCWKN-GFCCVEGCSA-N	306.366	1.383	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1ccc([N+](=O)[O-])o1	803437415	LUZDERVVJSCIRJ-UHFFFAOYSA-N	314.257	1.786	50	20	DDGD	
CCOCC(C)(C)CNC(=O)NNC(=O)c1ccccc1O	291924268	UPUVOYIZCKFIAJ-UHFFFAOYSA-N	309.366	1.399	50	20	DDGD	
CCOc1ccc(NNC(=O)CCCNC(=O)C2CC2)cc1	294438336	STOJJZCAUXEULX-UHFFFAOYSA-N	305.378	1.835	50	20	DDGD	
O=C(NNC(=O)c1cnnc(-c2ccccc2)c1)c1ccncc1	809937600	XASAMMWNCHWMRX-UHFFFAOYSA-N	319.324	1.613	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCCOC(F)F	800983461	JZPQDLWGKDCTRM-UHFFFAOYSA-N	301.293	1.568	50	20	DDGD	
CCc1ncsc1C(=O)NNc1ccc(-n2ccnc2)nn1	804954914	OTQMAOBAFNLRLP-UHFFFAOYSA-N	315.362	1.438	50	20	DDGD	
CC[C@H](C)CCC(=O)OCC(=O)NNC(=O)c1ccccc1	803877272	JXRQZKCOHITQMU-LBPRGKRZSA-N	306.362	1.817	50	20	DDGD	
O=C(NNc1ncncc1F)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2	292969261	IFJTVQXWCTWOGE-JMJZKYOTSA-N	307.329	1.199	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)[C@H]2CCCCO2)c1F	295259763	AZMQPJFFGZJAJN-CYBMUJFWSA-N	324.352	1.483	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@H]1CCCCO1	295600338	PVAYNEXJWVYPNR-GRYCIOLGSA-N	308.403	1.877	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@@H]1CCn2cncc2C1	803428746	FPCLRGCLQPYVJK-GFCCVEGCSA-N	323.356	1.430	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2coc3c2C(=O)CCC3)o1	295094753	JRHJUMPIUVHVPU-UHFFFAOYSA-N	302.286	1.775	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NN=Cc1ccc(N)nc1	807955396	VYBRBCHMEIIVOU-SNVBAGLBSA-N	302.309	1.721	50	20	DDGD	
C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NN(C)CCOC	816562079	XRNZJQJMGFBUCI-LBPRGKRZSA-N	303.362	1.111	50	20	DDGD	
CC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)c1ccc(N)nc1	814753556	ZGXHQECZCBTJSJ-UHFFFAOYSA-N	314.305	1.308	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2nc3c(s2)CCC3)ccn1	814844464	KMIAMSSMVRGZGX-UHFFFAOYSA-N	315.402	1.857	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2cccc3ncccc23)on1	814841363	NLBUCWOZCHXDRY-UHFFFAOYSA-N	324.296	1.773	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCCCC(=O)O)cc1	818240024	HWAYUYNDQRXMBL-RAXLEYEMSA-N	302.330	1.973	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	814964274	PSODZSXRYNTPEG-SECBINFHSA-N	310.379	1.632	50	20	DDGD	
CCn1cc(-c2nn(C)cc2C(=O)NCCCSC#N)cn1	816538248	KDGHOGRSSOZCCV-UHFFFAOYSA-N	318.406	1.638	50	20	DDGD	
CCC(=O)NN=Cc1cn(-c2ccccc2Br)nn1	811630906	GWYAIJZFEGVHLX-UHFFFAOYSA-N	322.166	1.890	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=C1COc2ccc(Cl)cc21	814695045	KPAGZSHCBLSTSH-UHFFFAOYSA-O	302.741	1.540	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C(C)Cn1cccn1	814712040	GQGLCPYQWOANHK-UHFFFAOYSA-N	301.350	1.496	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1C[C@@H](c2ccccc2)OC1=O	813423388	CWXVDQKWSJMGPY-STQMWFEESA-N	319.361	1.421	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C(C)C[C@H]1CCC(=O)N1	811630364	GUSHSWQJXVYSJU-GFCCVEGCSA-N	319.361	1.235	50	20	DDGD	
COCCC(COC)=NNC(=O)c1c(C)nc2ccccn12	812222203	LWSMIGUIHDLXKA-UHFFFAOYSA-N	304.350	1.411	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=O)Cc2ccccc2F)o1	815538702	NTMPXENVASRPCF-UHFFFAOYSA-N	305.309	1.688	50	20	DDGD	
O=C(NNC(=O)c1ncoc1C(F)(F)F)c1ccccc1F	816814128	IRISCYAHOAQMGH-UHFFFAOYSA-N	317.198	1.907	50	20	DDGD	
COc1ccc(OCCNC(=O)NNC(=O)CC(C)(C)C)cc1	728598367	KJUMYXPAKUUQOR-UHFFFAOYSA-N	323.393	1.841	50	20	DDGD	
N#Cc1csc(C=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)n1	814753569	ZKGZZIKSHDUEKQ-UHFFFAOYSA-N	316.302	1.269	50	20	DDGD	
N#Cc1ccc(NC(=S)NNC(=O)NC2CC2)cc1Cl	726480635	RHQJWPKXAOYMNB-UHFFFAOYSA-N	309.782	1.875	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)Cc2cccnc2)s1	728852797	YFKIZILCXJCCHJ-UHFFFAOYSA-N	303.343	1.349	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@]1(c2ccccc2)CC1(C)C	826753323	CVRORXJZAZKYGB-QGZVFWFLSA-N	312.373	1.847	50	20	DDGD	
Cc1ccc2nc(SCC(=O)NNC(=O)C(C)C)[nH]c2c1	828511457	NNIVZAISOZWEBJ-UHFFFAOYSA-N	306.391	1.767	50	20	DDGD	
O=C(NNC(=O)c1cc[nH]n1)Nc1cccc(N2CCCC2)c1	820512817	XKWODLNNEBMPEX-UHFFFAOYSA-N	314.349	1.476	50	20	DDGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2ccc(O)cc2)c(=O)n1C	491127595	BLFQJNMCPHCRLM-OQLLNIDSSA-N	323.352	1.623	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H](C)c1cnn(C)c1	822727819	ISGARDPOCYXKLP-VIFPVBQESA-N	320.324	1.593	50	20	DDGD	
Cc1nnc(CCC(=O)NC[C@@]2(C)C[C@H]2Br)o1	824805761	XPMLBRCFZYKCFK-LDYMZIIASA-N	302.172	1.600	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)COc1ccccc1OC	491544010	JMHCGOHEUBYHRM-UHFFFAOYSA-N	312.329	1.054	50	20	DDGD	
COC(=O)NN=C(C)c1ccc(S(=O)(=O)CC(F)F)cc1	491986306	DEKKDGWKJBVAPN-UHFFFAOYSA-N	320.317	1.805	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccccc1CN(CC)C(C)=O	494362567	IEAPPXBVQHPFNZ-UHFFFAOYSA-N	322.365	1.838	50	20	DDGD	
N#CC1=CCN(CCCOc2ccc(-c3nn[nH]n3)cc2)CC1	826380586	GJTUNZCEYOAJJZ-UHFFFAOYSA-N	310.361	1.791	50	20	DDGD	
O=C(CCCn1cccc1)NNc1ccc(-c2nn[nH]n2)cc1	826406567	CIHVVNKWWUBJKY-UHFFFAOYSA-N	311.349	1.592	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc2c(c1)nc(O)n2C1CC1	824404573	SHOQETUGEMBWJC-UHFFFAOYSA-N	317.349	1.429	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCc2ccc(-c3nn[nH]n3)cc21	825582592	LSMAUHPYAFHBAO-XFXZXTDPSA-N	310.317	1.200	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(OC)cc1OC(F)F	823879883	WHMVDAYYAASDSJ-UHFFFAOYSA-N	304.293	1.256	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1ccc(-c2nn[nH]n2)s1	822940886	IRTMJLHGTLQXPC-UHFFFAOYSA-N	320.378	1.270	50	20	DDGD	
COC(=O)COc1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1	490846948	WJGWTBSRKYMDAG-XYOKQWHBSA-N	300.314	1.424	50	20	DDGD	
Cc1cc(=NNC(=O)c2cccn(CC(C)C)c2=O)cc[nH]1	827031915	XXTJEIWJJGSLCH-UHFFFAOYSA-N	300.362	1.387	50	20	DDGD	
O=C(C[C@H]1CCC(=O)N1)NNc1ccc(Cl)cc1[N+](=O)[O-]	822386674	CUHSNCIICIZWDD-MRVPVSSYSA-N	312.713	1.360	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cnn(CC(N)=O)c1	490845430	SQLAOHGCVFTJIJ-VZUCSPMQSA-N	313.292	1.053	50	20	DDGD	
COCCOc1cc(NC(=O)NN(C)C2CC2)ccc1OC	824031373	JIUCQCRANOPCSM-UHFFFAOYSA-N	309.366	1.851	50	20	DDGD	
COc1ccc(C2(C(=O)N3CC[C@@H](B(O)O)C3)CCCC2)cc1	585071773	AKOPXKHWPZVUKQ-CQSZACIVSA-N	317.194	1.582	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C1CC2(CCCC2)C1	901198356	JORQXDWRGMYXJL-UHFFFAOYSA-N	300.362	1.638	50	20	DDGD	
Cc1cc(C(=O)N2CC[C@@H](B(O)O)C2)nn1-c1ccc(F)cc1	585064102	MNUIPIHZVDPCQJ-LLVKDONJSA-N	317.129	1.009	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCC[C@H]1COc2ccccc2O1	491177875	ZMJKODDUBJYBIT-UKVQZPPCSA-N	302.330	1.777	50	20	DDGD	
OB(O)c1ccc(CNC[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1	585026671	PXNYJJFGACTXPK-QWHCGFSZSA-N	315.144	1.825	50	20	DDGD	
O=C(COC/C=C\c1ccccc1)NNC(=O)[C@@H]1CCCCO1	833245980	BXCIBBLAZIXJTD-AJHXJQRKSA-N	318.373	1.433	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)N[C@H]1CCC[C@@H]2C[C@H]12	838774606	OAQIFMQRFFZKEV-MDZLAQPJSA-N	321.352	1.724	50	20	DDGD	
COc1nccc(C=NNC(=O)CNc2ccc(C)cc2C)n1	834931512	JXCXZBFNPWYQAC-UHFFFAOYSA-N	313.361	1.664	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1	731852599	CNIYTMWEICYDEK-BXKDBHETSA-N	316.361	1.828	50	20	DDGD	
CCO[C@H](CCNCc1ccc(B(O)O)cc1F)C1CCCC1	585025781	CLCMNYOOAOGRFU-QGZVFWFLSA-N	323.217	1.581	50	20	DDGD	
COCCCN(CCOC)C(=O)[C@]1(C)C[C@@H]1Br	906356730	ROYVMCHSWJPSDC-CMPLNLGQSA-N	308.216	1.671	50	20	DDGD	
CC(C)(C)OC1CC(CCNCc2cccc(B(O)O)c2)C1	585037852	LXLQBLNIQGXKLC-UHFFFAOYSA-N	305.227	1.440	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)NC(=O)NNc1ncncc1Cl	836632849	QNXDVKJCZXQWGH-MRVPVSSYSA-N	309.761	1.121	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H](C)Oc1ccccn1	830609430	HECHNMGRCBJWEI-NSHDSACASA-N	301.350	1.906	50	20	DDGD	
CC(C)(C)OC(=O)C1CN(C(=O)[C@@]2(C)C[C@@H]2Br)C1	908677990	MKHBXRSAALFOEH-ZANVPECISA-N	318.211	1.960	50	20	DDGD	
Cc1cc(Br)c(S(=O)(=O)NNC(=O)O)s1	738201152	NFKFQQSRNUABRL-UHFFFAOYSA-N	315.170	1.280	50	20	DDGD	
O=C(NNc1ncccn1)c1csc(Nc2ccccn2)n1	736068874	GWXFCIFDKBGAKS-UHFFFAOYSA-N	313.346	1.829	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)NCc1ccccc1	732235470	VWKVHECFUCJXMT-UHFFFAOYSA-N	319.386	1.916	50	20	DDGD	
CC(=O)N[C@@H](CC(=O)NNC(=O)C1CCC1)c1ccc(C)cc1	732144488	WCPZCSXDPLXWTC-HNNXBMFYSA-N	317.389	1.510	50	20	DDGD	
CCOc1c(Cl)cc(CN2CC[C@H](B(O)O)C2)cc1OC	585077983	ZPFKSXURPBXKTH-NSHDSACASA-N	313.590	1.796	50	20	DDGD	
COc1cc(C=NNC(=O)c2cnn(C)c2)ccc1OC(C)C	735413832	RLMAQDLLQLQERO-UHFFFAOYSA-N	316.361	1.980	50	20	DDGD	
CSC[C@@H](C)NC(=O)NNC(=O)c1cc2c(s1)CCC2	736404854	BGMSVKLMZFPUGK-MRVPVSSYSA-N	313.448	1.932	50	20	DDGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)O)CC1	833061399	AWCPRTRXWKTMIU-WLRTZDKTSA-N	302.290	1.755	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H](C)N2CCCC[C@H]2C)nn1	730025749	FVNROFTYAUWYMJ-OLZOCXBDSA-N	306.414	1.674	50	20	DDGD	
C[C@@H]1CN(c2cccc(F)c2)CCN1S(=O)(=O)CCl	831612266	GAXHSVMPSPDZIB-SNVBAGLBSA-N	306.790	1.862	50	20	DDGD	
CCNC(=O)NNC(=O)CC(C)(C)NC(=O)OC(C)(C)C	739706577	NNECZANKDIMCFB-UHFFFAOYSA-N	302.375	1.030	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1csc([N+](=O)[O-])c1	918690422	SYRYQCXAXVRJCS-UHFFFAOYSA-N	302.381	1.564	50	20	DDGD	
Cc1cc(C)cc(N2CC[C@H](C(=O)NN(C)C[C@H](C)O)C2=O)c1	910167461	GMOUBHAOXSDDPZ-DZGCQCFKSA-N	319.405	1.000	50	20	DDGD	
O=C(COC1CCOCC1)NNc1ccc(F)c(F)c1F	735332105	UQAWKVSNUCOYBF-UHFFFAOYSA-N	304.268	1.743	50	20	DDGD	
C[C@@H](CN1CCCCCC1)C(=O)NN=C1CCNC(=O)CC1	834934232	MRCMWDHWDHPGKD-ZDUSSCGKSA-N	308.426	1.271	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)[C@H]1C[C@H]1c1cccc(F)c1	914383908	HEWRERVAHZLBEN-RYUDHWBXSA-N	315.370	1.177	50	20	DDGD	
C[C@H]1C[C@@H](C)CN1CC(=O)NNC(=O)c1ccc(C#N)cc1	839493125	FOJYVEBLLNLAAN-NEPJUHHUSA-N	300.362	1.050	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@@](C)(O)C2CC2)c1F	837061774	RQUYAHHJXOYYSU-OAHLLOKOSA-N	310.325	1.607	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C(=O)NNC(=O)NC(C)C)c1C	745146305	ITONVNVIONGQEN-UHFFFAOYSA-N	310.354	1.161	50	20	DDGD	
O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1O)Nc1ccccc1	743248512	GOZXUQHOFSCPMJ-UHFFFAOYSA-N	316.273	1.767	50	20	DDGD	
Cc1cc(C)cc(OCCC(=O)NNC(=O)c2ncccn2)c1	841354853	TWGGHOCFGGWCTI-UHFFFAOYSA-N	314.345	1.324	50	20	DDGD	
CCC(CC)[C@@H](C(=O)NNC(=O)CC(C)C)N1CCOCC1	742041629	DSKSJENKEOTVFJ-HNNXBMFYSA-N	313.442	1.317	50	20	DDGD	
CO[C@](C)(C1CC1)[C@H](C)NC(=O)NNc1cncc(Cl)n1	840414844	GDRRITVTHSQMFB-SDBXPKJASA-N	313.789	1.960	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@H](CO)[C@H]1CCCOC1	840522390	LJMDYOPNFQPJGF-HBNTYKKESA-N	322.243	1.700	50	20	DDGD	
C[C@@H](CNS(=O)(=O)CBr)C(=O)OC(C)(C)C	848487944	BHFLRDJGVFPYBC-ZETCQYMHSA-N	316.217	1.236	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2ccncc2)cc1F	747320056	PFGCHCUIEIRQCB-UHFFFAOYSA-N	303.293	1.233	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)N[C@@H](CN)C2CC2)cc1	841945939	FIEGDTVNHUARLZ-AWEZNQCLSA-N	318.421	1.665	50	20	DDGD	
CC[C@H](COC)NC(=O)NNc1ncc(Br)cn1	847323455	NHEVSDVOWGXMSJ-MRVPVSSYSA-N	318.175	1.290	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)[C@@H]1CCCN1C(=O)C1CC1	843892076	AQEAEJASYVNNEF-JTQLQIEISA-N	308.769	1.579	50	20	DDGD	
CC(=O)c1ccc(CC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	843646928	ROMPWDJOXXYXCY-SMDDNHRTSA-N	304.346	1.004	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc2c(c1)CNCCO2	841330610	RVXBWAKKXKMNRL-UHFFFAOYSA-N	306.366	1.367	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@@H]2CCCN2C2CCCC2)n1	749242379	RPNLJHDQZFTURJ-ZDUSSCGKSA-N	318.425	1.393	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)Cc2c(C)noc2C)cc1	846370935	SMDQHPNZYJWGNG-UHFFFAOYSA-N	317.345	1.693	50	20	DDGD	
N#CC(C#N)=CNCc1cc(F)c(N2CCOCC2)c(F)c1	840731569	ZNRYSQFITRPYRI-UHFFFAOYSA-N	304.300	1.822	50	20	DDGD	
CCNC(=O)NC1(C(=O)N(C)CC(Cl)Cl)CCCC1	848080694	BDLGXLGEYGWMRT-UHFFFAOYSA-N	310.225	1.880	50	20	DDGD	
COC[C@@](C)(O)C(=O)NNc1ccc(Br)cc1F	748212989	DZUQYNMVAQLLOO-LLVKDONJSA-N	321.146	1.429	50	20	DDGD	
N#CCn1cc(NS(=O)(=O)c2ccc(CCCl)cc2)cn1	747406781	LGOGNJVRZDXMQD-UHFFFAOYSA-N	324.793	1.989	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)c2c(c1)C[C@H](C)O2	842563152	WQCNQCJKXBZMST-FIXISWKDSA-N	318.373	1.894	50	20	DDGD	
CCn1ccc(CC(=O)NNC(=O)CNc2ccc(C)cc2)n1	846628982	XZDNODUGLXRCFU-UHFFFAOYSA-N	315.377	1.013	50	20	DDGD	
CNC(=O)NN=C1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1	842525762	ZYSYASJHQIOSMD-MNOVXSKESA-N	310.398	1.938	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1ccc(/C=C/C(=O)OC)o1	848639594	WKJUTUVDARGACW-ZMLXFWSASA-N	305.286	1.562	50	20	DDGD	
CCCNC(=O)NNC(=O)c1c[nH]nc1-c1ccccc1F	755240434	XJXKMKNBRPVEMA-UHFFFAOYSA-N	305.313	1.570	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)[C@@H]1CN2CCCN1CC2	928338774	AAQFZJGPKULMSL-AWEZNQCLSA-N	308.813	1.481	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1cccc2cccnc12	755450436	FVKIOQCTSYMQBK-UHFFFAOYSA-N	308.301	1.491	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCOCC2)c(F)c1)c1cc[nH]n1	853393259	ZQUDSQIDJHKGQA-UHFFFAOYSA-N	317.324	1.149	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(NS(=O)(=O)CC)cc1	756561307	AMAROJKHSQJMPH-UHFFFAOYSA-N	314.367	1.011	50	20	DDGD	
C=CCC1(NCC(=O)NNC(=O)c2ccccc2)CCCC1	852588176	PIBBRDBLBIFZGW-UHFFFAOYSA-N	301.390	1.926	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)NCC(F)(F)F)OCO2	758873551	HYUCKGPZVRSLRK-UHFFFAOYSA-N	319.239	1.619	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)/C=C\c1cnn(C)c1	751168022	DNWIGXALJZATCC-UTCJRWHESA-N	303.274	1.956	50	20	DDGD	
O=C(CCc1cccnc1Cl)NNC(=O)[C@H]1CCCCO1	854683200	LMUZDYRPSRLWHF-LLVKDONJSA-N	311.769	1.384	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@H]1Cc1ccccc1	752314149	LLMSVPOXRWWKDJ-HOCLYGCPSA-N	317.433	1.885	50	20	DDGD	
CCc1nc(C=NNC(=O)Cn2nc(C)cc2C)c2ccccn12	755563554	GQDZQNRPCKXBKI-UHFFFAOYSA-N	324.388	1.860	50	20	DDGD	
Cc1ccc(C(C)(C)CNC(=O)NNc2ccncn2)nc1	858761127	NFTSKSKLRHDATH-UHFFFAOYSA-N	300.366	1.784	50	20	DDGD	
C[C@@H]1CN(c2ccccc2C=NNC(=O)c2cc[nH]n2)CCO1	853391994	BOWCFGHPGUMYGA-GFCCVEGCSA-N	313.361	1.399	50	20	DDGD	
COC(=O)c1cnc(NC[C@]2(C)C[C@@H]2Br)nc1	856786587	HKTPPLXFEBWPBI-KWQFWETISA-N	300.156	1.849	50	20	DDGD	
CC[C@H](CN1CCCC1)NC(=O)NNc1ncc(Cl)cn1	856878396	QUXYFZHMGJVKOX-LLVKDONJSA-N	312.805	1.631	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	755407246	YWJYDJRIDIFNRQ-UHFFFAOYSA-N	316.701	1.437	50	20	DDGD	
O=C(NCCCc1nc[nH]n1)NNc1c(F)cc(F)cc1F	923128911	QPXKVOLLRSXVKF-UHFFFAOYSA-N	314.271	1.481	50	20	DDGD	
CN(C)CCn1ccc(C(=O)NNc2ccnc(Cl)c2)n1	855462159	PCVZWVAZILUYKW-UHFFFAOYSA-N	308.773	1.250	50	20	DDGD	
Cn1ncc(C2CC2)c1C=NNC(=O)COc1ccc(F)cc1	853273734	BUITYCJONFBHIY-UHFFFAOYSA-N	316.336	1.966	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1cccc(Cl)c1F	759653373	OLEKBWGNMJNYQJ-UHFFFAOYSA-N	323.711	1.952	50	20	DDGD	
COC(=O)c1ccc(O)c(C=NNC(=O)OCC(F)(F)F)c1	853430983	SUUXBTHYDARJHB-UHFFFAOYSA-N	320.223	1.801	50	20	DDGD	
Cc1csc([C@@H](C)C(=O)NNC(=S)NCC2CCC2)n1	855090504	XXBMIMJWFQXTFH-VIFPVBQESA-N	312.464	1.850	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNc1ncc(Cl)cn1	857359407	YHYRRAGIVHCYLO-CBAPKCEASA-N	315.761	1.344	50	20	DDGD	
Cc1cccc(NC(=O)NNC(=O)c2cnccn2)c1Cl	756834436	ZVFDXAYLDAWZOL-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@]2(C)CCOC2)cc1C	754351901	SWIOVKJBBAJIHX-MRXNPFEDSA-N	306.362	1.256	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2cccc(C(N)=O)c2)ccn1	755708581	GHDQCRARCOJPED-UHFFFAOYSA-N	311.345	1.010	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1c(C(F)F)nc2n1CCCC2	867284756	PLZLXYAJKHHVNS-UHFFFAOYSA-N	307.304	1.731	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1coc(C2CCC2)n1	769627995	UFENLGTZISYNBP-MRVPVSSYSA-N	309.322	1.045	50	20	DDGD	
CCOC(=O)c1cnc(C)c(C(=O)NN[C@@H](C)C(F)(F)F)c1	862316623	SAYQGSVTJNOSAI-QMMMGPOBSA-N	319.283	1.752	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC(C)(C)C(=O)Nc1ccccc1	862586805	SSZDWZYSDRJOGI-VAWYXSNFSA-N	301.346	1.964	50	20	DDGD	
COc1ccc(C)cc1NC(=O)C(=O)NNC(=O)C1CCCC1	764067933	CXPDOIFHGSTMCR-UHFFFAOYSA-N	319.361	1.280	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2c(C)noc2C(F)(F)F)n[nH]1	768276906	IVIKZBKZIRAIQI-UHFFFAOYSA-N	317.227	1.108	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N	763516264	HIWMKVDRKXNSCR-VIFPVBQESA-N	320.374	1.187	50	20	DDGD	
CCC(CC)N1C[C@H](C(=O)NN[C@@H](C)C(F)(F)F)CC1=O	862309774	OTMHOGMIDDGYCN-DTWKUNHWSA-N	309.332	1.595	50	20	DDGD	
CCCN(CC(=O)OCC)S(=O)(=O)CC(C)(C)CCl	866565228	DXXAIROIWZQECU-UHFFFAOYSA-N	313.847	1.856	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1cccc(C(F)F)c1	869909053	GYMRBPMGRNLKOF-UHFFFAOYSA-N	302.277	1.048	50	20	DDGD	
Cc1nnc(-c2ccccc2C(=O)NNC(=O)C2CCCC2)o1	764816759	AQYPFCMFCQKJNT-UHFFFAOYSA-N	314.345	1.996	50	20	DDGD	
COCCOCC(=O)NNC(=O)CCc1cccc(Cl)c1	869911842	CKAYOCYUQSLGMD-UHFFFAOYSA-N	314.769	1.083	50	20	DDGD	
Cn1ccc2c(NC(=O)C(=O)NNc3cnccn3)cccc21	766260904	YFTYTKKAXLKXMG-UHFFFAOYSA-N	310.317	1.050	50	20	DDGD	
CNC(=O)[C@@]1(C)CCN(S(=O)(=O)CC(C)(C)CCl)C1	867219983	YVRVSIUJYUDBBF-LBPRGKRZSA-N	310.847	1.039	50	20	DDGD	
CCCOc1ccc(NC(=O)C(=O)NNC(=O)CC)c(C)c1	763440911	DAKQNDGKQVIXBI-UHFFFAOYSA-N	307.350	1.280	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)c2cccc(C#N)c2)CC[C@H]1C	766985733	YPAOIMCKSIOIGJ-CHWSQXEVSA-N	314.389	1.297	50	20	DDGD	
CC(C)(C)[C@H](O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	764597914	ONIOVNBQKRUDKD-CQCMJFKXSA-N	308.422	1.757	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1nc(-c2ccccc2)ns1	767194492	QMUXAZFUAJWXIN-UHFFFAOYSA-N	320.378	1.903	50	20	DDGD	
COC(=O)c1ccccc1CC(=O)NN=c1cc[nH]cc1Cl	768445410	ZPLLNINZFZDQJV-UHFFFAOYSA-N	319.748	1.629	50	20	DDGD	
Cn1ccc(NNC(=O)Cn2nc(C(F)F)cc2C2CC2)n1	1119318912	NLYLPKYVUUXQKX-UHFFFAOYSA-N	310.308	1.575	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(F)=C1CCCC1	762591008	BHIOSUAAEOHLIM-CYBMUJFWSA-N	320.320	1.771	50	20	DDGD	
C=CC(=O)N(C)CC(=O)NNC(=S)Nc1ccc(C)cc1C	873759983	JHXZETRQFIECHD-UHFFFAOYSA-N	320.418	1.265	50	20	DDGD	
CC1CCN(CC(=O)NNC(=O)c2cc3c(s2)CCC3)CC1	761790762	CHFRGMDJDQLIAI-UHFFFAOYSA-N	321.446	1.730	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cccc(-c2ccccn2)c1	779815867	CMKSYWCVBWTOPJ-UHFFFAOYSA-N	312.329	1.555	50	20	DDGD	
C[C@H](C1CC1)n1cc(NC(=O)NNC(=O)c2cnccn2)cn1	779509115	YKJMKZGIERTRFB-SECBINFHSA-N	315.337	1.111	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)c1nccnc1C(N)=O	777479804	RMGUKCCADLMYGR-UHFFFAOYSA-N	322.328	1.189	50	20	DDGD	
Cc1nc(C2CCNCC2)sc1C(=O)NNc1ncccn1	876588657	BVSCZPVJODRDND-UHFFFAOYSA-N	318.406	1.465	50	20	DDGD	
COCCCOc1ccccc1NC(=O)NNC(=O)C(C)C	770337861	AIOFHIJYYGSPPF-UHFFFAOYSA-N	309.366	1.911	50	20	DDGD	
CN(C)C(=O)c1ccc(NC(=O)CN2CC=C(C#N)CC2)cc1	779586260	RGFHWSDKUVJKLS-UHFFFAOYSA-N	312.373	1.483	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNC(=S)Nc1ccccn1)C(C)C	874957130	BRHHVMZAKCDQBW-NSHDSACASA-N	324.406	1.235	50	20	DDGD	
CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)NC[C@@]1(C)C[C@@H]1Br	872882472	HKDYZIZSCNIXKY-OUDXYJABSA-N	304.184	1.633	50	20	DDGD	
CC(=O)N[C@@H](CC(=O)NNc1ccccn1)c1cccs1	777473988	YFTHFSPFEPJYEY-NSHDSACASA-N	304.375	1.854	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1csc(Br)n1	873991091	JWMYLHZLXXOQMV-UHFFFAOYSA-N	318.196	1.857	50	20	DDGD	
CCNC(=O)NNC(=O)c1c(OC)ccc(SC)c1OC	775675690	IWKLKSLRAWSVDN-UHFFFAOYSA-N	313.379	1.390	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2CCc3c(Cl)cccc32)cn1	775750001	XIJTXUQQHMTQNG-GFCCVEGCSA-N	318.764	1.565	50	20	DDGD	
CCN1C(=O)C[C@H](C(=O)NNC(=O)OC)[C@@H]1c1cccc(C)c1	878000613	JXJYRIJVPMACQR-JSGCOSHPSA-N	319.361	1.292	50	20	DDGD	
CSc1cc(Br)ccc1C=NNC(=O)CO	776780591	UYQOWPNWACAGFS-UHFFFAOYSA-N	303.181	1.613	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc2c(c1)CCCC2	771907721	BAPCUJCNCMRHFG-NSHDSACASA-N	318.373	1.668	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCOc1cccc(C=O)c1	887142911	DYSJCIGQGBSGTO-UHFFFAOYSA-N	302.330	1.219	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H]2CCc3c(Cl)cccc32)nc1O	776222078	FJTPQHLSVPCQFL-JTQLQIEISA-N	319.752	1.712	50	20	DDGD	
Cc1ncc(CCNC(=O)NNC(=O)OC(C)(C)C)s1	772632410	QBELTAORCMDQCE-UHFFFAOYSA-N	300.384	1.733	50	20	DDGD	
C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NNC(=O)c1cccnn1	883852993	ZYTLBAHSIIJWCD-NEPJUHHUSA-N	319.409	1.978	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNc2cc(Cl)ccc2C)c(=O)n1	885126729	DTEJPBYSTWAFEQ-UHFFFAOYSA-N	320.780	1.965	50	20	DDGD	
CCOC(=O)[C@@H]1CCCC[C@@H]1NS(=O)(=O)CCCCl	882238556	UFOPDLAVKDHDNM-MNOVXSKESA-N	311.831	1.657	50	20	DDGD	
Cc1onc(CC(=O)NNC(=O)c2cccc(Cl)c2)c1C#N	779491021	JDULGGXATIQQRT-UHFFFAOYSA-N	318.720	1.512	50	20	DDGD	
O=C(NNS(=O)(=O)c1cc2ccccc2o1)C1CCOCC1	882805438	FWJHOLPKJKZYHD-UHFFFAOYSA-N	324.358	1.169	50	20	DDGD	
COCC1(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)OC)c2)CC1	779353851	ZJJLRAXVZZAXPX-UHFFFAOYSA-N	309.274	1.713	50	20	DDGD	
CN(C)C(=O)c1cccc(OS(=O)(=O)CCCCl)c1	881785461	DZXPBTDJHDVSQV-UHFFFAOYSA-N	305.783	1.726	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1O	882050817	IQEXYFQZLDIDLV-MVWJERBFSA-N	302.330	1.077	50	20	DDGD	
CSSCCNc1ccc(C(=O)N2CCOCC2)cn1	882327028	VSLVIBRKGQZRIR-UHFFFAOYSA-N	313.448	1.977	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@@H]1CC(=O)c2ccccc21	789643982	PMHQEWZDVMVXNX-CQSZACIVSA-N	309.325	1.142	50	20	DDGD	
C[C@@H](Cc1ccncc1)NC(=O)NNc1ncncc1Cl	781004266	MLDQNYGTBMFLDT-VIFPVBQESA-N	306.757	1.782	50	20	DDGD	
NC(=O)c1ccccc1C=NNC(=O)c1ccc(O)c(Cl)c1	788715332	GASOFJUYBBLYQD-UHFFFAOYSA-N	317.732	1.908	50	20	DDGD	
COC[C@@H](C)CC(=O)NNc1nnc(-c2ccccn2)s1	788568212	ZGFWSPSKQZCQMT-VIFPVBQESA-N	307.379	1.716	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1cnn(Cc2ccccn2)c1	782578191	XASZSKOOTNEDNK-UHFFFAOYSA-N	314.349	1.279	50	20	DDGD	
CN(C[C@@](C)(O)c1ccccc1)S(=O)(=O)CCCCl	882277720	FEHITRFLXMUYCY-CYBMUJFWSA-N	305.827	1.785	50	20	DDGD	
C[C@@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)CBr	782465042	VCDKUPNTFBLDPR-GXSJLCMTSA-N	322.224	1.423	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2c(F)cccc2Cl)C(=O)O1	896347005	NSOGNMWIPFOPJJ-IMTBSYHQSA-N	301.705	1.809	50	20	DDGD	
O=C(NNc1ncncc1Cl)N[C@@H]1CCN(CC2CC2)C1	780992090	YAWBSCNMBCYOLK-SNVBAGLBSA-N	310.789	1.240	50	20	DDGD	
Cc1ncc(C(=O)NNc2nnc(-c3ccccn3)s2)[nH]1	788556154	GKTCUIAADOMMLL-UHFFFAOYSA-N	301.335	1.389	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@@H]2CC[C@H](C)C2)c1	780799316	GSSBYDUUFAMXMD-QWHCGFSZSA-N	305.378	1.893	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccn(CC(F)F)n1	789872054	UHWVJCJCIPBIPA-UHFFFAOYSA-N	308.288	1.531	50	20	DDGD	
C=CCNC(=O)NC(=O)COC(=O)/C(C#N)=C/c1ccccc1	785349851	DEIXHQXRZIHEDW-UKTHLTGXSA-N	313.313	1.149	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCCCC1)c1cc(C)nn1C	788978164	UXNFAWGLKQVVNH-LBPRGKRZSA-N	305.426	1.691	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCN(C[C@H](CBr)C2CC2)C1	701845353	NPVRXPZVVMCISO-RYUDHWBXSA-N	324.284	1.917	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cc2c(nc1O)CCC2	791243910	XWXFXUWIFRGRFG-UHFFFAOYSA-N	310.317	1.076	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc(OCC2CC2)cc1	790174568	UEFRBJRJGGZRLZ-UHFFFAOYSA-N	305.334	1.282	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNc1nc(O)c2ccccc2n1	795175333	XVXWKIFORXBHLV-SKDRFNHKSA-N	304.350	1.840	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)COc1cccc(C)c1	792799349	PGRQLRXSPAFINW-WFASDCNBSA-N	308.378	1.582	50	20	DDGD	
COc1cc2c(cc1/C=C(\C#N)S(=O)(=O)N(C)C)O[C@@H](C)C2	794957846	IHZQMDOHKZSFSW-FYTLYHSASA-N	322.386	1.774	50	20	DDGD	
C[C@@H](NC(=O)CCl)C(=O)Nc1cccc(N2CCCC2)c1	1319674289	KCMDVIBJQLTZRT-LLVKDONJSA-N	309.797	1.969	50	20	DDGD	
CC(C)c1ccc2c(c1)C(=NNC(=O)C[N+](C)(C)C)C(=O)N2	1318441482	RIMWVIGJNFYGRG-UHFFFAOYSA-O	303.386	1.289	50	20	DDGD	
O=C(CCl)Nc1ccccc1OCC(=O)N1CCOCC1	1323268819	HLNNVJPLJJPWHY-UHFFFAOYSA-N	312.753	1.102	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCC(C)(C)C1CCCC1	1328134750	MAGWOWDBJLBZSE-WCQYABFASA-N	311.426	1.958	50	20	DDGD	
CN(C)[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ccccc1F	1321721329	QDVIZEWQAMNVFI-UONOGXRCSA-N	322.384	1.643	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCCCO2)c(C)n1CC1CC1	1324452971	DAHXALJADVMTGU-OAHLLOKOSA-N	319.405	1.845	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cccc(C#N)c1C	1321739095	OKGGUXOJIPTBIT-UHFFFAOYSA-N	308.432	1.339	50	20	DDGD	
CC(C)n1ncc2c1[C@H](NC(=O)NNC(=O)C1CCC1)CCC2	1325555130	ZDCWFFGZTUSSMH-CYBMUJFWSA-N	319.409	1.972	50	20	DDGD	
C[C@@H](C(=O)NNc1ccnc(Br)c1)n1ccnc1	1320478604	KSFHMMMFXCJMLT-QMMMGPOBSA-N	310.155	1.745	50	20	DDGD	
COCCN(C)NC(=O)c1nc(C2CC2)n(-c2ccccc2)n1	1326749476	IZKCUECQSKSIJK-UHFFFAOYSA-N	315.377	1.368	50	20	DDGD	
N#CSCCCNS(=O)(=O)c1c[nH]c(C(F)(F)F)c1	1339837342	YIHZMHZOBRYIOF-UHFFFAOYSA-N	313.326	1.916	50	20	DDGD	
COC(=O)[C@@]1(F)CCN(S(=O)(=O)CC(C)(C)CCl)C1	1331985233	YXYINHVNHBCWOR-LLVKDONJSA-N	315.794	1.168	50	20	DDGD	
O=C1COc2cc(C(=O)NNC(=O)C3CCC3)c(Cl)cc2N1	1337128136	VIQOAHUPPXLUSO-UHFFFAOYSA-N	323.736	1.232	50	20	DDGD	
C[C@H](NC(=O)c1cccc(CCl)c1)[C@@H]1CN(C)CCN1C	1335824937	NPQBVOMKTDKMCD-WFASDCNBSA-N	309.841	1.790	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)C1CCNCC1)c1ccc(C)cc1	1348543168	NMTMQFBTJGDBKN-OAHLLOKOSA-N	318.421	1.776	50	20	DDGD	
C=C(C)CN(CC)C(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1347962824	AUKQXNUNNKMCJM-MFKMUULPSA-N	317.227	1.701	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NC1(C(F)(F)F)CC1	1351689571	MMJBQWYRAJTRGP-UHFFFAOYSA-N	315.295	1.963	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1nc(C2CC2)cs1)C1CC1	1350067269	OYKROFYABOTELA-SSDOTTSWSA-N	310.448	1.928	50	20	DDGD	
CN(CCCF)C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1350492983	FFPUDTMAXTXSSC-LDYMZIIASA-N	309.179	1.094	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)N[C@@H]1CCc2n[nH]cc2C1	1601559132	MJODVDLEMUQNQN-LLVKDONJSA-N	315.333	1.292	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)NC1CC(C(=O)O)C1	1601554846	KIXVJUZABQMMPU-UHFFFAOYSA-N	323.374	1.044	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2cccc(F)c2C(=O)O)s1	1608242485	CDGWXGRPSRGDNC-UHFFFAOYSA-N	323.305	1.441	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCCC[C@@H]1C(=O)O	1601045454	LVPXWVCZGPREKZ-BRADTZPFSA-N	300.314	1.765	50	20	DDGD	
Cc1ncnc(O)c1CCC(=O)NNc1cccc(C(=O)O)c1	1600733106	LUJVPYLNXOONDA-UHFFFAOYSA-N	316.317	1.265	50	20	DDGD	
Cn1c(C=NNC(=O)c2cn(C)c3ccccc23)ccc1C(=O)O	1600911254	DRZLAZAKAKUXAO-UHFFFAOYSA-N	324.340	1.979	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H]1CC[C@@H]1C(=O)O	1604892525	DJZKIDURHTZCNY-BDAKNGLRSA-N	323.374	1.124	50	20	DDGD	
COc1cc(C(=O)NNc2ccc(C(=O)O)cc2F)ccc1O	1607079627	ITMGEESKCYEGHQ-UHFFFAOYSA-N	320.276	1.995	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C1CC(CC(=O)O)C1	1607349355	XTLFVEMAVYYBMG-UHFFFAOYSA-N	306.318	1.431	50	20	DDGD	
Cc1ccc(C(=O)O)cc1NC(=O)NNC(=O)[C@]1(C)CCCO1	1600359498	LYYKNBWOIXSAFQ-HNNXBMFYSA-N	321.333	1.415	50	20	DDGD	
C[C@H](CN1CCCCCC1)C(=O)NN=Cc1cc(C(=O)O)no1	1609742851	ULAIGKXXRMDBRZ-LLVKDONJSA-N	322.365	1.335	50	20	DDGD	
O=C(NCCOc1cccnc1)NNc1cccc(C(=O)O)c1	1610695023	LNVWGEJSYNYNPZ-UHFFFAOYSA-N	316.317	1.485	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@@H]2C=NNC(=O)[C@@H]2CCOC2)cn1	1552454598	SBDHBQHEJFYRSP-YRGRVCCFSA-N	306.366	1.026	50	20	DDGD	
C/C=C/C(=O)N1CCCC12CN(C(=O)[C@@H](Cl)COC)C2	1845963935	BSFOBMHRAJQGHA-TZNOJPMFSA-N	300.786	1.020	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1C(=O)NNc1cccc(C(=O)O)c1F	1588599383	NNCFTXGMJFWTHS-ZWNOBZJWSA-N	308.309	1.948	50	20	DDGD	
O=C(C(Cl)Cl)N1CC2(CCCN2C(=O)C2(F)CCC2)C1	1846753606	RNPMKWXKTMZQRE-UHFFFAOYSA-N	323.195	1.886	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc2[nH]nc(C(=O)O)c2c1	1591111322	KJVWNLZKEZRXSZ-UHFFFAOYSA-N	319.321	1.460	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)COCC	1847867062	OLHQRBXJIVDEEP-AVGNSLFASA-N	316.829	1.632	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@]1(C(=O)O)CC=CCC1	1594711128	KJBNCQMDGBHOQM-INIZCTEOSA-N	320.320	1.327	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C(=O)O)C1(c2ccccc2)CCCC1	1593102835	XRTXWFWMBHFGHX-NSHDSACASA-N	319.361	1.302	50	20	DDGD	
O=C(CCc1ccc(O)cc1)NNc1cccc(-c2nn[nH]n2)c1	1592851658	LYAYKXPAILNOMB-UHFFFAOYSA-N	324.344	1.648	50	20	DDGD	
Cc1ncccc1CC(=O)NNc1cccc(-c2nn[nH]n2)c1	1592417192	DOSOMNLPKGETGX-UHFFFAOYSA-N	309.333	1.256	50	20	DDGD	
COc1cccc(C(=O)NNc2ncccc2C(=O)O)c1O	1594122258	XTTNKLFKWLTBDP-UHFFFAOYSA-N	303.274	1.251	50	20	DDGD	
CCc1cnc(O)c(C(=O)NNc2cccc(F)c2C(=O)O)c1	1597419855	NLWWWTWMIVLVTQ-UHFFFAOYSA-N	319.292	1.944	50	20	DDGD	
O=C(O)[C@H](C(=O)NNc1ccnc(C(F)(F)F)c1)C1CC1	1594835095	COFONVMHAAGNDC-VIFPVBQESA-N	303.240	1.654	50	20	DDGD	
CCO[C@@H]1COCC[C@H]1CC(=O)NNc1ccccc1C(=O)O	1596855915	XMVPKWDEKMAOPJ-SMDDNHRTSA-N	322.361	1.660	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccc(C(=O)O)[nH]2)o1	1592008450	MCYUENAUZXTMJV-UHFFFAOYSA-N	303.278	1.453	50	20	DDGD	
CO[C@@H]1COCC[C@@H]1CC(=O)NNc1ccccc1C(=O)O	1599141371	WZAUXYAMDGQCRX-ZWNOBZJWSA-N	308.334	1.270	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccsc1	17582158	XXKMDXSORPBGAQ-UHFFFAOYSA-N	300.343	1.779	50	20	DDGD	
CCSCc1cccc(NC(=O)NNC(=O)CN(C)C)c1	160988892	MQFRLCXDOFEULH-UHFFFAOYSA-N	310.423	1.654	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@H]1OCCc2ccccc21	157526254	UTUDKUCTOUDNHH-AWEZNQCLSA-N	315.329	1.424	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CC(=O)NNc1ccc(C#N)cc1	155604226	UYVHUXVSTVZWQW-UHFFFAOYSA-N	300.278	1.115	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc(F)cc1OC(F)F	156125883	HCFHTDSLFNWGRA-UHFFFAOYSA-N	320.271	1.141	50	20	DDGD	
CCc1nc(CCNC(=O)NNc2ccc(OC)cn2)cs1	157130225	LFARGFAZTHWSAE-UHFFFAOYSA-N	321.406	1.978	50	20	DDGD	
Cc1ccc(OCC(=O)NNc2ncnc3nc[nH]c23)cc1C	156226418	WLKGEXYXNFMWIR-UHFFFAOYSA-N	312.333	1.492	50	20	DDGD	
O=S(=O)(CCCCCl)NC[C@@H](O)c1cccc(F)c1	154328008	UKOQSFSUTYDLSX-GFCCVEGCSA-N	309.790	1.798	50	20	DDGD	
CC[C@H](CO)N(C)S(=O)(=O)c1ccc(CCCl)cc1	380929163	UREJYKQBYKNUNK-GFCCVEGCSA-N	305.827	1.859	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNC(=O)c1cccc(C#N)c1	104414061	MVHIKCVBDMIOIR-CQSZACIVSA-N	300.362	1.194	50	20	DDGD	
COc1cccc(CNC(=O)NNC(=O)c2ccc(C#N)cc2)c1	57981183	JJSIKURVLDDASQ-UHFFFAOYSA-N	324.340	1.711	50	20	DDGD	
O=C(COCC(F)(F)F)NNc1nc(-c2ccncc2)no1	102787353	WAXGIUVICLZQDZ-UHFFFAOYSA-N	317.227	1.154	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)c2cc3ccccc3cc2O)cn1	57028331	DNOTVZJCGBIOJO-UHFFFAOYSA-N	322.324	1.719	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@H]2CC=CCC2)cn1	105512269	ZGWRMBRTPOBPLH-JTQLQIEISA-N	306.391	1.764	50	20	DDGD	
Cc1nnc(NNC(=O)Cc2c(F)cccc2Cl)nc1O	29066782	BQCYSSGFKQEBDG-UHFFFAOYSA-N	311.704	1.364	50	20	DDGD	
COCC1CCC(NS(=O)(=O)CBr)CC1	841561764	XALGAAFQHCJACP-UHFFFAOYSA-N	300.218	1.463	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC=CCC1)c1ccc2c(c1)OCCO2	53625649	SJRRXPDOBILBDS-NSHDSACASA-N	302.330	1.575	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CC[C@@H]2CC[C@@H](C)O2)cc1	175141085	YDVMBLRGUURASF-HIFRSBDPSA-N	319.405	1.902	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNC(=O)CNc1ccc(C)cc1	104139349	HBWQKESJYBGPPM-OAHLLOKOSA-N	318.421	1.429	50	20	DDGD	
O=C(Cc1cccc(Cl)c1)NNC(=O)NCC(F)(F)F	69580482	ZLBRJAYSBGMPKK-UHFFFAOYSA-N	309.675	1.775	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc(-c2ccccc2)on1	21840497	NLQBRIQQAXPCTK-UHFFFAOYSA-N	304.375	1.859	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@H](C)OCCC(C)C	66027325	BNZIRRIJSQWNEG-ZDUSSCGKSA-N	322.405	1.836	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccn(CCC(F)(F)F)n1	1345690154	ASJBLABMWBGRCB-UHFFFAOYSA-N	319.287	1.190	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NNC(=O)N1CCOCC1	178648324	LJRGCCHZRDSQQM-QWRGUYRKSA-N	309.391	1.233	50	20	DDGD	
CC(C)C1(CNC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1	176353835	NPFDWAURENMWLV-UHFFFAOYSA-N	320.349	1.975	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H](C)OCC2CC2)cc1	68361487	VFFPCWWPGWQERP-GFCCVEGCSA-N	320.389	1.590	50	20	DDGD	
CC[C@H](CSC)NC(=O)NNc1ccc(-n2cccn2)nn1	179977516	SFNSYAWLZUFYBH-SNVBAGLBSA-N	321.410	1.430	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccc(CCC(F)(F)F)cc1	125792500	QRJCVVQBKQWKSX-UHFFFAOYSA-N	319.283	1.717	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(Cc2cccnc2)CC1	178953359	FAABHGWRNRESSZ-FYWRMAATSA-N	300.362	1.170	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNc1nnc(C2CC2)s1	184529081	SUAPURYFZHXASH-UHFFFAOYSA-N	311.411	1.507	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cccc(N2CCCC2=O)c1	123199452	BNDMCOWXVDZMHR-UHFFFAOYSA-N	315.308	1.499	50	20	DDGD	
CN(NC(=O)c1ccc(COc2ccc(F)cc2)o1)C(N)=O	181062325	ABCYXWFBPGZOGD-UHFFFAOYSA-N	307.281	1.653	50	20	DDGD	
CCS(=O)(=O)CCN(C)C(=O)/C(C#N)=C\c1ccc(F)cc1	183793355	AVNDLNVANYOPKS-RAXLEYEMSA-N	324.377	1.626	50	20	DDGD	
Cc1cc(NC(=O)NNc2cccc(S(C)(=O)=O)c2)ccn1	180609332	SWEHNIAMWZSSHY-UHFFFAOYSA-N	320.374	1.942	50	20	DDGD	
COC1(CNC(=O)NNC(=O)c2cccc(N(C)C)c2)CCC1	181548850	INGZFHSPHQTOFK-UHFFFAOYSA-N	320.393	1.266	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NCc2ccc(F)cc2)n1	31026629	OMSUHPKFOXSGJG-UHFFFAOYSA-N	319.340	1.170	50	20	DDGD	
C[C@@H](Oc1cccnc1)C(=O)NNc1nnc(C2CC2)s1	184504874	DLUGVWVYSRONTQ-MRVPVSSYSA-N	305.363	1.721	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)o1	36624560	UYOJSDLOEDNBEB-SNVBAGLBSA-N	306.293	1.956	50	20	DDGD	
Cc1c(CNC(=O)NNc2ccc(C(C)(C)C)nn2)cnn1C	122237691	ZEDGEWRYZIEQDZ-UHFFFAOYSA-N	317.397	1.642	50	20	DDGD	
Cc1nn(C(C)(C)C)cc1C(=O)NNc1cc(Cl)nc(N)n1	182793909	RUXTVENUGDWLAI-UHFFFAOYSA-N	323.788	1.729	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(C)nc(Cl)c2)n1	129210257	HMVICUXHJJLIJZ-UHFFFAOYSA-N	307.741	1.907	50	20	DDGD	
O=C(CN1C(=O)CNC1=O)NN(c1ccccc1)c1ccccc1	72868397	MQCNOUUZLKPMIO-UHFFFAOYSA-N	324.340	1.408	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NC[C@](C)(C(=O)OC)c1ccccc1	188566358	DUUKOHSKCPJRKR-HVJHFUJKSA-N	316.357	1.677	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccccc1F)C1CCOCC1	134924389	WJTFSCRZKODXJE-LLVKDONJSA-N	323.368	1.514	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(C(C)C)no2)c(O)c1	73108184	DWIXHEFKYRTMTG-UHFFFAOYSA-N	303.318	1.887	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1ccc(-n2cccn2)nc1	183981495	AZDDCKVWYLTYHZ-UHFFFAOYSA-N	311.305	1.062	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN(C)CCC1CC1	135304951	MTEGVRNDVZHLOC-UHFFFAOYSA-N	303.406	1.417	50	20	DDGD	
N#Cc1ccc(C(=O)NNS(=O)(=O)c2ccccc2)cc1	48090597	GDCBPZZKNXQLAM-UHFFFAOYSA-N	301.327	1.182	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCC2CCOCC2)c1	194805155	QDIQYUVCZLUYDW-UHFFFAOYSA-N	320.393	1.123	50	20	DDGD	
O=C(NNC(=O)c1ccc2ccccc2c1)C(=O)N1CCCC1	132304289	KCDWYHFPJLRQDU-UHFFFAOYSA-N	311.341	1.223	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCc1cccc([N+](=O)[O-])c1	87192817	AAGQPDBPGDXLAH-UHFFFAOYSA-N	308.338	1.658	50	20	DDGD	
Cc1ccnc(NNC(=O)CNC(=O)c2ccc(F)cc2F)c1	88424651	UCEQOCFRLIZJFO-UHFFFAOYSA-N	320.299	1.541	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)/C=C/c1ccc(C(F)(F)F)cc1	190059683	AZDJJPJTJLMFQV-VMPITWQZSA-N	316.279	1.637	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@@H]2Cc3cc(F)ccc3O2)n1	133994584	IQABQHSBRJUQRN-VIFPVBQESA-N	323.715	1.298	50	20	DDGD	
C[C@H](OC[C@@H]1CCCCO1)C(=O)NNC(=O)CC1CCCC1	195207592	KSRZAJMLOYDZDM-JSGCOSHPSA-N	312.410	1.688	50	20	DDGD	
Cn1c(=NNC(=O)CCCn2cncn2)sc2ccccc21	254965434	OKKLGNKHVAANQG-UHFFFAOYSA-N	316.390	1.244	50	20	DDGD	
O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NNC(=O)C1CCC1	264806227	UVMZKJVXFFINDY-UHFFFAOYSA-N	316.317	1.497	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccccc1OC)N(CC)CC	265442943	HQMJTTZWCHXDLB-CYBMUJFWSA-N	307.394	1.577	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(F)c(F)c1F)C1CCC1	264831865	ZOHYYYUTSCPCCL-UHFFFAOYSA-N	308.281	1.214	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@@H](O)C(C)C)cc(C#N)n1C	269599537	OQINLBHQWOAJGS-DTHCKZEYSA-N	300.362	1.245	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@@H]1CC12CCOCC2	365651322	VOCAAWJNNPYXGF-VIFPVBQESA-N	309.297	1.994	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccc(OCCC(C)C)cc1	274219476	OLYHLLOBBDITID-UHFFFAOYSA-N	323.349	1.437	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H](CO)CC(C)(C)C	272500223	XBNDRDILZPMLQR-LLVKDONJSA-N	323.393	1.436	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C[C@H](C)SC)c1	270327585	LRQYRMLJEWJAPS-JTQLQIEISA-N	311.407	1.396	50	20	DDGD	
CCc1cccnc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C(C)(C)C	277054310	NZVGOUOPLPPVGA-JSGCOSHPSA-N	319.405	1.856	50	20	DDGD	
O=C(NNc1cnccn1)C(=O)Nc1cccc2c1CCCC2	273166557	CXUHPKOSILFPLT-UHFFFAOYSA-N	311.345	1.437	50	20	DDGD	
CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NNc2ccncc2)C1	272527159	MLGHBXFADXWFEQ-GFCCVEGCSA-N	322.365	1.161	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CCc1ccncn1)c1ccccc1	277030471	FZMVVQQBVLMBJG-UHFFFAOYSA-N	312.373	1.534	50	20	DDGD	
COC(=O)c1cc(O)ccc1NS(=O)(=O)CCCCCl	276161280	BBIFCKUQZARCEL-UHFFFAOYSA-N	321.782	1.940	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCC(C)(C)CCCO	271862848	YCEQZYSOVNQPGK-UHFFFAOYSA-N	307.394	1.738	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H]1CCc2nccn2C1	373942246	DEEJZLUVEQSFLY-LBPRGKRZSA-N	313.361	1.607	50	20	DDGD	
Cc1cscc1NC(=O)C(=O)NNC(=O)CC1CCCC1	274081635	QWHZQRFDKGJDNG-UHFFFAOYSA-N	309.391	1.723	50	20	DDGD	
COC(=O)N(C)NC(=O)C1(c2ccc(F)cc2)CCOCC1	286338221	LVQLRGARRSNBPU-UHFFFAOYSA-N	310.325	1.603	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F	288662814	AODRCEDVDAXGFH-ZCFIWIBFSA-N	320.227	1.490	50	20	DDGD	
CSSCCNC(=O)N1CCC(NC(=O)C2CC2)CC1	375220941	XHFGDVBAANLUCP-UHFFFAOYSA-N	317.480	1.698	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@H](C2CC2)C1	288602880	MWPNIGHOUUBCEX-AWEZNQCLSA-N	302.378	1.487	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2scnc2COC)cc1	284374124	PKCGOWFCELJKPV-UHFFFAOYSA-N	319.386	1.927	50	20	DDGD	
COc1cccc(NNC(=O)NCc2noc3c2CCCC3)n1	288245342	AZYLKDQCEPFXED-UHFFFAOYSA-N	317.349	1.783	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(C2CCC2)cc1	280208622	KNACPRWMGFXLCE-UHFFFAOYSA-N	318.377	1.585	50	20	DDGD	
CCc1nn(C)c(OC)c1CNC(=O)NCCSSC	285526604	TYTBMZGCLMLYSF-UHFFFAOYSA-N	318.468	1.802	50	20	DDGD	
C=CC[C@H](CC)NC(=O)NNC(=O)Cc1cn2ccccc2n1	281381340	OKMRRRTYZYJRBY-LBPRGKRZSA-N	315.377	1.562	50	20	DDGD	
CC(C)CO[C@H](C)C(=O)NNc1ccc(-n2ccnc2)nn1	804958645	GYJMHGPNUJTVDQ-LLVKDONJSA-N	304.354	1.167	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)CN(C)C)c2ccccc21	802711039	HHDATLJJIHRCHF-AWEZNQCLSA-N	317.389	1.509	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1ccnc(C2CC2)n1	804958168	MMEXGUILSVJQCQ-UHFFFAOYSA-N	322.332	1.087	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)Nc1cccc2c1CNC2=O	806752946	CVQANIUHDBWJMG-UHFFFAOYSA-N	318.724	1.522	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)C(F)(F)C(F)F)cc1	802123049	GEGIZGIMJPGDNM-UHFFFAOYSA-N	322.262	1.806	50	20	DDGD	
CN1C(=O)CCc2cc(-c3csc(NNC(N)=O)n3)ccc21	800720592	IRNBFECMAFOFBV-UHFFFAOYSA-N	317.374	1.714	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2nc3ccccn3n2)c2ccccc21	803185925	FCNGRBHHSNTPRL-ZDUSSCGKSA-N	321.340	1.933	50	20	DDGD	
O=C(CCn1cnc2ccccc21)NNC(=O)[C@H]1CCCCO1	295321681	GPHLLMOBQIAQRG-CQSZACIVSA-N	316.361	1.143	50	20	DDGD	
C=CCCOCCCCC(=O)NNC(=O)N=c1cc[nH]cc1	802026547	GITDGJHANRIFRR-UHFFFAOYSA-N	306.366	1.419	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2cc3ccccn3n2)n1	806647663	XZSVYSHDEOURQK-UHFFFAOYSA-N	310.317	1.504	50	20	DDGD	
O=C(NNc1ncccc1F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	804212952	FEHXBDUJDCSERO-UHFFFAOYSA-N	321.224	1.794	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc(C#N)ccc2Cl)n1	803282654	HAAQAEAUKPYQOQ-UHFFFAOYSA-N	314.732	1.990	50	20	DDGD	
Cc1cc(C)n([C@H](C)CC(=O)NNC(=O)N=c2cc[nH]cc2)n1	802025167	UXAZOINKFRKONU-GFCCVEGCSA-N	316.365	1.121	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1cnn(CCF)c1	806739990	FTBWFNSSNDKAOQ-UHFFFAOYSA-N	317.284	1.055	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H](C)Cc1cncc2ccccc12	805171852	ROEYIHJJTIHIIY-LLVKDONJSA-N	300.362	1.764	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CCc2cncnc2)n1	295042649	TYNPYNHJCIUAHH-UHFFFAOYSA-N	315.381	1.189	50	20	DDGD	
O=C(Cn1cc(Cl)cn1)NNc1cnc2ccccc2n1	807426646	SKFIBPCIXVKIDY-UHFFFAOYSA-N	302.725	1.623	50	20	DDGD	
O=C(CCc1ccccn1)NNc1ccc(-n2ccnc2)nn1	804952683	UBJRCIGXXGXBAT-UHFFFAOYSA-N	309.333	1.133	50	20	DDGD	
COC(=O)NNC(=O)CSCC(=O)Nc1cccc(C)c1	298310607	QJIPAHUTWXZEDG-UHFFFAOYSA-N	311.363	1.054	50	20	DDGD	
Cn1c(C(=O)NNC(=O)Nc2ccc(Cl)cc2)cccc1=O	802014921	ZGNJSKOVFVNLOA-UHFFFAOYSA-N	320.736	1.505	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2C[C@@H](c3ccccc3)OC2=O)ncn1	809680188	QTPHPFYYVQUWBA-STQMWFEESA-N	312.329	1.533	50	20	DDGD	
COc1cc(C(C)=NNC(=O)COc2ccc(C#N)cc2)on1	814721994	FSLVAPGNMQBWGR-UHFFFAOYSA-N	314.301	1.474	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1ccc(CN(C)C)cc1	814787147	IRNVYCHLJGVCTD-UHFFFAOYSA-N	313.405	1.863	50	20	DDGD	
CCOCC(=O)NN=C1COc2ccc(Br)cc21	814843196	OAVNBQXQOGCTTP-UHFFFAOYSA-N	313.151	1.698	50	20	DDGD	
CC1(C)CN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C[C@H](CO)O1	817279474	PARYPXKZJGDHSP-LSRDKYIXSA-N	317.345	1.931	50	20	DDGD	
CN(NC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1)C1CC1	819648457	FCQFHSDPNVRCOY-CYBMUJFWSA-N	302.378	1.059	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2cnc(C)cn2)ccc1C	816687121	OLGGXFQIDDFKPN-UHFFFAOYSA-N	300.318	1.637	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@@H](Br)C(C)(C)C)C[C@H]1C(=O)O	817869915	BMRPIKPXYOVTFD-IWSPIJDZSA-N	306.200	1.975	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)NCc2ccco2)[C@]12CCCO2	819807407	QPNBAUFANMNFAW-UKRRQHHQSA-N	307.350	1.793	50	20	DDGD	
O=C(NN=C1COCCOC1)c1cc(-c2ccccc2)[nH]n1	814706975	PWGASMYPYHUHIM-UHFFFAOYSA-N	300.318	1.209	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C[C@@H](C)n1cccn1	819535588	XZQGOSAHWJSAJI-GFCCVEGCSA-N	316.361	1.233	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)[C@@H]1CCc2nncn2C1	815856783	AOIFIPMLVBOBGO-SSDOTTSWSA-N	311.267	1.401	50	20	DDGD	
CN(C)CC(=O)NN=Cc1ccc(OCC(F)(F)F)cc1	727648000	RCSHDYHCMANOAA-UHFFFAOYSA-N	303.284	1.639	50	20	DDGD	
CC(C)C[C@@H]1C[C@H]1C(=O)NNC(=O)COc1ccc(C#N)cc1	822196051	TUJYSSRIGXUHDT-UKRRQHHQSA-N	315.373	1.767	50	20	DDGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN(C)[C@H](C)CO	823928280	MBKCTPATHLHZKY-OLZOCXBDSA-N	302.374	1.951	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)/C=C\C2CCCC2)cc1	493511132	DREJVQNRDHRNLS-FLIBITNWSA-N	315.373	1.827	50	20	DDGD	
CC(=NNC(=O)c1ncccn1)[C@H](C)NC(=O)OC(C)(C)C	496750726	GBNJLXFAJHBDNU-VIFPVBQESA-N	307.354	1.496	50	20	DDGD	
CCCCS(=O)(=O)CC(=O)NNc1ccnc(Cl)c1	825004072	PHRSKPDMIMKDEV-UHFFFAOYSA-N	305.787	1.393	50	20	DDGD	
O=S(=O)(CCl)NCC1(N2CCSCC2)CCCC1	829962592	LIXJPHZGXOZSFN-UHFFFAOYSA-N	312.888	1.464	50	20	DDGD	
COC(=O)NNC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C	496902214	MJNZTNPAOMGNIC-VIFPVBQESA-N	301.343	1.163	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CCCCN2CCCC2)cc1	729349816	QIWGLAPMOOBGMS-UHFFFAOYSA-N	314.389	1.585	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)CCCc2ccccc2)cc1Cl	823050700	ICIVBFXEABDFCD-UHFFFAOYSA-N	320.780	1.857	50	20	DDGD	
CCCN1CCC[C@H]1C(=O)NNc1cccc(F)c1C(=O)OC	822728633	WUJQWXZKKYWMRW-ZDUSSCGKSA-N	323.368	1.930	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC2(C1)OCCO2	588515709	WBBLMJHMRMEDJV-LCYFTJDESA-N	300.314	1.275	50	20	DDGD	
Cc1cc(C=NNC(=O)CCNC(=O)OC(C)(C)C)c(C)[nH]1	495275361	HDYYGITWTSLRJS-UHFFFAOYSA-N	308.382	1.996	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)COc1ccc(C)cc1	905123351	JHSSICQQVSZIFL-HOCLYGCPSA-N	318.373	1.502	50	20	DDGD	
CCN(CC(=O)Nc1ccccc1OC)S(=O)(=O)CCl	829696496	AHVFLTYLURCYRA-UHFFFAOYSA-N	320.798	1.482	50	20	DDGD	
CN1C[C@@H](COC(=O)[C@@H](Br)C(C)(C)C)OC1=O	495663469	CUKCBTQGCIYOEO-JGVFFNPUSA-N	308.172	1.790	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)/C=C/c2cnc(C)s2)n1	491982511	JOCLJQNJAUIHSD-VOTSOKGWSA-N	302.359	1.629	50	20	DDGD	
CCC[C@@H]1C[C@@H](c2nc(-c3ccc(B(O)O)cc3)no2)CCO1	585050576	DDWGKAGXAMHDIB-GXTWGEPZSA-N	316.166	1.479	50	20	DDGD	
CCc1c(C(=O)NN(C)C(=O)OC)cnn1-c1ccccc1	495764736	YOBVBZZBVHWNAJ-UHFFFAOYSA-N	302.334	1.778	50	20	DDGD	
CN(CC(=O)NN=c1sc2ccccc2n1C)C(=O)C1CC1	733127506	CAYKVOCTPKLSQR-UHFFFAOYSA-N	318.402	1.040	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCc2c(C3CC3)cccc21	584976699	KYTWXRROFWQZIK-UHFFFAOYSA-N	307.158	1.447	50	20	DDGD	
COc1cc2c(cc1/C=C(\C#N)C(=O)N=c1cc[nH]cc1)OCO2	490880981	WLQXWDYZDCPWAP-WUXMJOGZSA-N	323.308	1.786	50	20	DDGD	
CN(C)c1cc(COC(=O)/C(C#N)=C/c2cnn(C)c2)ccn1	837970673	GEWPHACOVZOLGA-MKMNVTDBSA-N	311.345	1.531	50	20	DDGD	
COC(=O)NNC(=O)CCNC(=O)c1ccc2ccccc2c1	495366361	ATXKLJFENLEYIS-UHFFFAOYSA-N	315.329	1.347	50	20	DDGD	
C[C@@H]1CC=C(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)CC1	839474766	YYAUTQBDVHBBPE-MGPQQGTHSA-N	323.437	1.380	50	20	DDGD	
COc1ncc(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])cn1	733952121	VQULCUAXLCVAAI-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)[C@H]2CCCCO2)c1C	833262629	XRJIDNAUTLSYLO-LLVKDONJSA-N	307.350	1.164	50	20	DDGD	
CCC[C@H](NC(=O)c1cc(B(O)O)ccc1F)c1ccccn1	584943274	PWEIAFHKEKMMTC-HNNXBMFYSA-N	316.141	1.172	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1[N+](=O)[O-])c1cncs1	734747234	SWEKFIHLLQFIML-UHFFFAOYSA-N	320.330	1.971	50	20	DDGD	
O=C(NCc1cccc(-c2nn[nH]n2)c1)NNc1ccccc1	738117137	NJKCEZLLCRNAAI-UHFFFAOYSA-N	309.333	1.693	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)COc1ccccc1OC	834922950	RFYURPCKJWJCFE-UHFFFAOYSA-N	317.349	1.144	50	20	DDGD	
CN(CCCC(=O)NNC(=O)c1ccc(Cl)cc1)C(=O)O	737426940	LHDIDDBIGTYRPD-UHFFFAOYSA-N	313.741	1.491	50	20	DDGD	
Cc1nc2c(s1)CCC[C@@H]2C(=O)Nc1cccc(B(O)O)c1	584912361	DXZGRPGUTZYIKV-LBPRGKRZSA-N	316.191	1.190	50	20	DDGD	
O=C(NCCCN1CCCCC1=O)NNc1ccc(F)cn1	731363421	XQKADGSSLOEIDL-UHFFFAOYSA-N	309.345	1.249	50	20	DDGD	
O=C(Cc1csc(-c2cccs2)n1)N1CC[C@H](B(O)O)C1	585069255	KFBAXSOKHSYGDS-VIFPVBQESA-N	322.220	1.489	50	20	DDGD	
C[C@H]1CC[C@@H](CNC(=O)NNC(=O)CCOc2ccccc2)O1	838746193	TVNIFYAWNAKFRX-JSGCOSHPSA-N	321.377	1.353	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)N[C@@H](C)C[C@H](C)N)cc1	831203753	ZLFSFRHOFUJPOU-RYUDHWBXSA-N	322.409	1.084	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(Cl)c2)C1	838748268	DYZQXZRSBDAPIL-TXEJJXNPSA-N	311.769	1.852	50	20	DDGD	
C=CC(C)(C)C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	837865427	MSUSCAGYQICPSZ-UHFFFAOYSA-N	304.346	1.511	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@H]2CCc3ccccc3OC2)cn1	831871970	FPSMVLCXDOWPQN-YMDFIQGPSA-N	322.368	1.837	50	20	DDGD	
COC(=O)CC(C)(C)NC(=O)/C(C#N)=C/c1ccc(O)cc1	588608576	XSFBLNIJBDKIHP-XYOKQWHBSA-N	302.330	1.757	50	20	DDGD	
CC[C@H](Oc1ccccc1Cl)C(=O)N1CC[C@@H](B(O)O)C1	585071122	MYFQVJIXDQFEGE-PWSUYJOCSA-N	311.574	1.573	50	20	DDGD	
CC[C@H]1CCC[C@@H]1CNC(=O)NNC(=O)N=c1cc[nH]cc1	836557278	JSOTYYOPIXATIE-NWDGAFQWSA-N	305.382	1.666	50	20	DDGD	
N#Cc1ccc(N2CCC[C@H]2C(=O)NNc2cnccn2)cc1	734245009	FPUPVLIKMBLLRN-AWEZNQCLSA-N	308.345	1.460	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)c3cnn(C)c3)cc2nc1C	735443938	KZMSXCMNPPMUAZ-UHFFFAOYSA-N	324.344	1.055	50	20	DDGD	
CC(C)(C)OC(=O)C1(C(=O)NNc2ncc(F)cn2)CCC1	831350299	IAZPKRPLNSBYSE-UHFFFAOYSA-N	310.329	1.571	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2ncccc2[N+](=O)[O-])s1	833311250	FMRQTXAALCHRBM-UHFFFAOYSA-N	308.275	1.506	50	20	DDGD	
O=C(CCCN1C(=O)CCC1=O)NNc1ccc(F)cc1F	733364532	JNDMRBLJFXKKPF-UHFFFAOYSA-N	311.288	1.337	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)OCC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cn1	837971947	RZTOPQLSUKWORU-BYWWWPKCSA-N	313.357	1.876	50	20	DDGD	
Cc1nc2c(cc1C(=O)NNC(=O)c1ccncc1)c(C)nn2C	914601060	GSYHGRPPKDUGBQ-UHFFFAOYSA-N	324.344	1.055	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CN1CCCC1=O)C1CCC(C)CC1	913732253	NVJFJKUNZWDYSX-JXQTWKCFSA-N	323.437	1.609	50	20	DDGD	
CCOCC(=O)NNC(=S)N[C@@H]1CCc2ccccc2C1	742999341	RCQHHRJKOQRUHT-CYBMUJFWSA-N	307.419	1.076	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)C2)o1	843774465	VGQNWMZMGAOWJO-LLVKDONJSA-N	321.377	1.252	50	20	DDGD	
COCCn1cc(C(=O)OC[C@@H](C)CBr)nn1	842120897	ZHYHERZPCBOMFX-QMMMGPOBSA-N	306.160	1.112	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNC(=O)c1cccc(Cl)c1	844282278	SLZMEVUUWSPUNY-UHFFFAOYSA-N	311.769	1.263	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1ccc(Br)nc1	746580555	LAZLLUZDEVPISV-UHFFFAOYSA-N	321.134	1.314	50	20	DDGD	
COc1ccc(NNC(=O)Nc2cccc3c2CCNC3)nc1	841305160	KTEDSUQLGMZVRI-UHFFFAOYSA-N	313.361	1.885	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Nc2ccc([N+](=O)[O-])cc2)n1	747441296	AKTAVRMEOPFCSD-UHFFFAOYSA-N	318.293	1.850	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@H]2CS[C@H](C)C2)cc1	845259615	MHZQWEQLWYUSGU-ZWNOBZJWSA-N	323.418	1.922	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)Cc2cc(C)no2)cc1	846189686	LUDLIKMUQONZPQ-UHFFFAOYSA-N	317.345	1.314	50	20	DDGD	
CO[C@@H](CS(=O)(=O)NNC(=O)C(C)(C)C)C1CCCC1	849305254	ZZWWOWBAVYNAHE-NSHDSACASA-N	306.428	1.188	50	20	DDGD	
C[C@H](Oc1cccc(C=NNC(=O)NCC2CC2)c1)C(=O)O	746679717	LAYQPYWHGKPKLH-JTQLQIEISA-N	305.334	1.582	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1ccc(F)c(Cl)c1	915952751	KPYAEHAITPIHFX-UHFFFAOYSA-N	311.744	1.942	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC([C@H](F)C(=O)O)C1	910131808	KKYRGBLATTXINV-YUMQZZPRSA-N	310.163	1.677	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)COc1ccc2c(c1)CCC(=O)N2	917182394	DCKYMGNWECKVGJ-UHFFFAOYSA-N	319.361	1.144	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H](c1ccc(Cl)cc1)N(C)C	847395685	YBDBKAMMBRCLIM-GFCCVEGCSA-N	312.801	1.683	50	20	DDGD	
CC(C)[C@@](C)(O)C(=O)Nc1cccc(NC(=O)NN(C)C)c1	843870052	MGJRUNGHSHGCFH-OAHLLOKOSA-N	308.382	1.630	50	20	DDGD	
COc1ccccc1C1(CNC(=O)NNC(=O)C(C)C)CC1	749421357	RDCFSUOCTKLBRI-UHFFFAOYSA-N	305.378	1.713	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1ccnn1CC(C)C	843263749	LGLCIPBGTOLWHB-GXDHUFHOSA-N	304.394	1.989	50	20	DDGD	
O=S(=O)(CCl)N1CCOC[C@H]1c1cc(F)cc(F)c1	849462585	VDIXTFBEKGUONO-NSHDSACASA-N	311.737	1.864	50	20	DDGD	
Cc1ccc(C(=O)N[C@@H](C(=O)NNC(=O)C(C)C)C(C)C)cc1	915775794	QSVOWMROMCWVIM-CQSZACIVSA-N	319.405	1.553	50	20	DDGD	
Cc1ccc(C)c(S(=O)(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	842587109	WCVZJIBGCINSOL-VXGBXAGGSA-N	312.391	1.038	50	20	DDGD	
COc1ncnc(N)c1C=NNC(=O)c1cccc2ccccc12	747632074	FNXZFTFBMZBTKC-UHFFFAOYSA-N	321.340	1.985	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H](C)COCC2CC2)c1	845587795	OIHPROTYGJRQIO-LLVKDONJSA-N	321.377	1.914	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)c2ccc(O)c(Cl)c2)[C@H]1OC	841624489	FOJOKOLZDDATNI-CHWSQXEVSA-N	312.753	1.955	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)Cc1cncn1C	840546063	ZSPWIMSKEFMFFO-UHFFFAOYSA-N	308.773	1.673	50	20	DDGD	
N[C@@H]1CCC[C@H](NC(=O)NNC(=O)CCCc2ccccc2)C1	841981340	ZQXQFFVLRJATSE-CABCVRRESA-N	318.421	1.610	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cccc(Cl)c1)[C@H]1CCCNC1	841929962	YIOWGPBVVIDVIY-JQWIXIFHSA-N	324.812	1.672	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1c[nH]c(C(F)(F)F)c1	843970350	DXJSEQUYQMTRFS-HTRCEHHLSA-N	305.256	1.220	50	20	DDGD	
CC(=O)N[C@@](C)(C(=O)NNC(=O)NC1CCCCC1)C(C)C	929247216	ZDGAIJSUWQZWRB-OAHLLOKOSA-N	312.414	1.200	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)C1CCCC1)CC1(C)OCCO1	758855940	GTHBOUGUDUSESW-LLVKDONJSA-N	313.398	1.296	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)COC(F)(F)F	929298254	XFSCCBQPXMQXOB-SSDOTTSWSA-N	324.230	1.277	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccc(C(N)=O)cn2)C[C@H]1Br	857403843	VBJXYYVAFFJKIS-SKDRFNHKSA-N	312.167	1.084	50	20	DDGD	
NC(=O)C1(C(=O)NNc2cc(C(F)(F)F)ccc2F)CC1	754150392	SACGVZDMYRRXOS-UHFFFAOYSA-N	305.231	1.553	50	20	DDGD	
Cc1nn(C)cc1C=NNC(=O)c1nn(-c2ccccc2)cc1O	755577604	XQEOMGIOMFKNJE-UHFFFAOYSA-N	324.344	1.384	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cc1ccc2c[nH]nc2c1)C1CC1	855099921	QGTVBCGCBVPFKL-SECBINFHSA-N	317.418	1.399	50	20	DDGD	
COc1cccc(-n2cc(C(=O)NCCCSC#N)nn2)c1	854359732	QIVCKRAXRYCHMB-UHFFFAOYSA-N	317.374	1.610	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H]2CCOC(=O)N2)cc1	858139991	XACRIUNSDNMEQR-GFCCVEGCSA-N	319.361	1.244	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@H]2CCC(=O)NC2)c1C	855624113	BMNRALAZVQNLBC-LLVKDONJSA-N	319.361	1.141	50	20	DDGD	
CC[C@@H](N[C@H](C)C(=O)NNC(=O)CC(C)C)c1c(C)noc1C	754542324	AMJXEARGBIHOCF-DGCLKSJQSA-N	324.425	1.914	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F)C1CC1	858144443	QJZKJJLWZSHETL-YGRLFVJLSA-N	324.352	1.556	50	20	DDGD	
C[C@]1(CCC(=O)NNc2nc3ccccc3[nH]2)CCC(=O)N1	753431970	BZHVSPSGVUMLRY-OAHLLOKOSA-N	301.350	1.455	50	20	DDGD	
CCCN1CCC(NC(=O)NNC(=O)c2cc(C)cs2)CC1	858104506	NCHVRZJMKFYIPY-UHFFFAOYSA-N	324.450	1.875	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)[C@@H](C)NS(C)(=O)=O	928340470	SCNYLRMVHPPYIC-MRVPVSSYSA-N	305.787	1.029	50	20	DDGD	
CCc1ncc(C=NNC(=O)CNC(=O)c2cccs2)s1	752164950	NOWNZKBGXGOMAJ-UHFFFAOYSA-N	322.415	1.647	50	20	DDGD	
O=C(NN=Cc1ccc(O[C@@H]2CCOC2)cc1)c1ccnnc1	853359301	MXXBVGGJAVMICR-OAHLLOKOSA-N	312.329	1.408	50	20	DDGD	
Cc1cc(NNC(=O)c2scnc2Br)ncn1	758167428	ZGGHMHXNGAYZDR-UHFFFAOYSA-N	314.168	1.761	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C2CCN(C(C)=O)CC2)c1	759310278	DOTTUJVLZOYRLL-UHFFFAOYSA-N	309.341	1.536	50	20	DDGD	
C[C@]1(CNC(=O)NCCCN2CCCC2)C[C@@H]1Br	856717772	FSWYGBXOISGTIM-WCQYABFASA-N	318.259	1.945	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)CC2=CCSC2)n1	852292928	HLVBTASRLWSARG-UHFFFAOYSA-N	306.391	1.349	50	20	DDGD	
Cc1cnc([C@@H](C)NC(=O)NNC(=O)CC(F)(F)F)s1	750660420	FDSNJZOQIJKCIT-ZCFIWIBFSA-N	310.301	1.795	50	20	DDGD	
CC(C[C@@H]1CCOC1)=NNC(=O)CCCNC(=O)C(C)(C)C	853407895	YYMKTUULTNJDBP-ZDUSSCGKSA-N	311.426	1.848	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ccc3nsnc3c2)n1	753464983	VYDRRPVXKQWHGJ-UHFFFAOYSA-N	321.753	1.474	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(F)c(SC)c(F)c1	758012277	PGIJYSWQMJVHBI-UHFFFAOYSA-N	319.333	1.876	50	20	DDGD	
COc1ccc2oc(C=NNC(=O)[C@@H]3CCC(=O)N3)cc2c1	863147859	NSXFREVPUPTSBC-LBPRGKRZSA-N	301.302	1.170	50	20	DDGD	
OB(O)c1cccc(CNCCC[C@H]2CC2(Cl)Cl)c1	863889864	JXJMXZZVULSHFG-NSHDSACASA-N	302.010	1.430	50	20	DDGD	
Cn1nc(C(=O)NNc2cc(C#N)cc(Cl)n2)cc1C1CC1	768696613	YUFRWUWTGSJILL-UHFFFAOYSA-N	316.752	1.974	50	20	DDGD	
C[C@H](C(=O)NNc1ncnc2ccsc12)c1cnn(C)c1	766678470	FLGYQVUAEKMMRQ-QMMMGPOBSA-N	302.363	1.672	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1nc2ccc(F)cc2s1	761767722	SJTODKDGXPCLRR-UHFFFAOYSA-N	320.349	1.508	50	20	DDGD	
C[C@](NC(=O)NNC(=O)c1cc[nH]n1)(C1CC1)C(F)(F)F	933567653	QHYBLTLQHUWHAA-JTQLQIEISA-N	305.260	1.085	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)Nc2nc3n(n2)CCCC3)c1	861174951	KZHMDNUOYBTSIC-UHFFFAOYSA-N	320.378	1.451	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C)c(F)c1F	869681697	MXDVZYUKONQFST-MRVPVSSYSA-N	314.288	1.376	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)Cc1ccco1	764635005	HQCRGXBCWSLGHJ-UHFFFAOYSA-N	308.721	1.945	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)n[nH]1	768277546	GTAIISWFOMDAJJ-CABZTGNLSA-N	316.361	1.828	50	20	DDGD	
Cn1cccc1C(=O)NN=Cc1ccc(-n2cncn2)c(F)c1	863967585	OKBGLCMAIKJSQB-UHFFFAOYSA-N	312.308	1.509	50	20	DDGD	
CCC(C#N)(CC)C(=O)NNc1cccc(S(C)(=O)=O)c1	860625390	MZLOBOSKXGVNSB-UHFFFAOYSA-N	309.391	1.863	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1cc2c(nc1O)CCCC2	864351074	OPZPTDRMSUHOIR-RAXLEYEMSA-N	301.346	1.726	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(OC(C)C)cc1C	763441570	XKHJXYYUYHWWTQ-UHFFFAOYSA-N	307.350	1.278	50	20	DDGD	
COC(=O)[C@@H]1CCCN1C(=O)[C@H](Br)C(C)(C)C	767029852	MLRZAGYXPKIJQG-IUCAKERBSA-N	306.200	1.960	50	20	DDGD	
COC[C@@H](OC)C(=O)NNc1nc2ccccc2[nH]c1=S	862294572	NBJRQQGMXFTDLM-SNVBAGLBSA-N	308.363	1.397	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc2nc(C)sc2c1	762943781	FTQXPGJKDUPUKO-UHFFFAOYSA-N	306.416	1.900	50	20	DDGD	
CCc1cccnc1C(=O)NNC(=O)Cc1cn2ccccc2n1	766484297	GPBWIZQJLZCUME-UHFFFAOYSA-N	323.356	1.295	50	20	DDGD	
Cn1c(CC(=O)NN=C2CCS(=O)CC2)nc2ccccc21	761801063	JFNCBWGONZUYGI-UHFFFAOYSA-N	318.402	1.131	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H](C)n2cncn2)c1	873753785	CXLVFGMLFKAIHE-NSHDSACASA-N	318.406	1.474	50	20	DDGD	
CCOc1cc(C=NNC(=O)C(=O)OC)cc(Cl)c1OC	1116189096	BBFHDBIADXXRMD-UHFFFAOYSA-N	314.725	1.370	50	20	DDGD	
COC(=O)C12CC(C(=O)NNC(=O)c3ccccc3Cl)(C1)C2	1118277345	ZNPURFUKINJRPU-UHFFFAOYSA-N	322.748	1.444	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1ccc(C(=O)O)c(F)c1	776770890	XQXLWAVQFAZQLP-UHFFFAOYSA-N	304.281	1.411	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](C)[C@H]1OCCc2sccc21	875616095	VWZCBIBURPEOBP-LDYMZIIASA-N	313.379	1.663	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccccc2OC(F)(F)F)c1N	779210790	KNXUEMIYEVNVIE-UHFFFAOYSA-N	315.255	1.658	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](C)c1cccc(-n2cccn2)c1	875331166	SDMAZEYMPYUTEN-LLVKDONJSA-N	317.349	1.846	50	20	DDGD	
Cc1nnc(O)c(CNC(=O)NNc2ccc(Cl)nn2)c1C	1116087608	GAUVAKQADDMCKZ-UHFFFAOYSA-N	323.744	1.069	50	20	DDGD	
COC(=O)Cn1cccc1C=NNC(=O)c1ccccc1O	776182560	AEYQBAMVAJMHSK-UHFFFAOYSA-N	301.302	1.131	50	20	DDGD	
CC(C)n1cc(NC(=O)C(=O)NNc2cccc(C#N)c2)cn1	773682552	LBDNNMDZPGXATE-UHFFFAOYSA-N	312.333	1.417	50	20	DDGD	
CC[C@H](SC)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	772214186	KRDVMMSLFZZDKR-ZJUUUORDSA-N	304.412	1.253	50	20	DDGD	
CC[C@H](C)n1nc(C(=O)NNC(=O)c2ccccn2)cc1C	778215498	PLVDFSKTHQGELX-JTQLQIEISA-N	301.350	1.632	50	20	DDGD	
N#Cc1c(F)cccc1C(=O)NNC(=O)c1ccccc1F	777412808	UPEYMRXMDIAUED-UHFFFAOYSA-N	301.252	1.911	50	20	DDGD	
O=C(CN1CCCC1)NNC(=O)c1ccc(Cl)cc1Cl	873814404	XPKPMQNXHRAFTN-UHFFFAOYSA-N	316.188	1.850	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1cccc2c1CCCC2	877939685	UFRCKBRGZZLBOE-UHFFFAOYSA-N	321.377	1.381	50	20	DDGD	
COCc1cccc(CC(=O)NNC(=S)NC(C)(C)C)c1	777770324	ZFQHGDXTONPTKE-UHFFFAOYSA-N	309.435	1.669	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc2cccc(F)c2o1	772153679	GWQSUIVTPDPFEE-MRVPVSSYSA-N	322.292	1.675	50	20	DDGD	
N#CC1=CCN(CC2=Nc3ccccc3S(=O)(=O)N2)CC1	779590889	PKTCRYWSYYNZAM-UHFFFAOYSA-N	302.359	1.164	50	20	DDGD	
O=C(NNc1ncccn1)Nc1ncn(Cc2ccccc2)n1	775565571	MMCPQDHFYRJMCZ-UHFFFAOYSA-N	310.321	1.265	50	20	DDGD	
CC(CCn1cccn1)=NNC(=O)c1cc([N+](=O)[O-])ccc1O	776772749	QTFJNORHPKCART-UHFFFAOYSA-N	317.305	1.693	50	20	DDGD	
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NNc1ccc(C#N)cn1	888949738	PERFEJCDAYGALM-TZMCWYRMSA-N	301.350	1.561	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccccc1NC(=O)C1CC1	887148884	AOXPQTISTXVABR-UHFFFAOYSA-N	313.357	1.600	50	20	DDGD	
C=C(CBr)n1cc(CN2CCC[C@H](N)C2)nn1	887444927	UQYDWAKATREAFR-JTQLQIEISA-N	300.204	1.067	50	20	DDGD	
Cn1ccc(CC(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)n1	782755459	YZFISAJXOKFREJ-UHFFFAOYSA-N	323.278	1.996	50	20	DDGD	
Cc1ccncc1C(=O)OCC(=O)NNC(=O)c1ccccc1	785886014	WSHQONPZGZFXOV-UHFFFAOYSA-N	313.313	1.008	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)cc1F	780366444	WXBZLPQWUMQNPD-UHFFFAOYSA-N	300.233	1.174	50	20	DDGD	
CC1(C)OC[C@H](CNC(=O)NNc2cccc([N+](=O)[O-])c2)O1	783278992	YLIAKQKHLALQID-NSHDSACASA-N	310.310	1.372	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)C[C@H]2SC(=N)NC2=O)cc1	781041613	JQQNCAUXJGBCGR-LLVKDONJSA-N	320.418	1.984	50	20	DDGD	
COc1ncc(C(C)=NNC(=O)C(=O)NC(C)C)cc1Cl	788980361	GVJDWMXHMITWIJ-UHFFFAOYSA-N	312.757	1.108	50	20	DDGD	
CNc1nc(C(=O)NNc2cccc(C(=O)OC)c2)cs1	780792468	JRCUTBUSNIIWLN-UHFFFAOYSA-N	306.347	1.728	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cc(F)cc([N+](=O)[O-])c1	781811222	BWLUWGZDISSLLC-UHFFFAOYSA-N	311.660	1.934	50	20	DDGD	
COCCn1ccc(C(=O)OC[C@H](C)CBr)n1	784306712	BFNLNBRDKPYWQM-SECBINFHSA-N	305.172	1.717	50	20	DDGD	
CCc1cccc(NC(=O)C(=O)NNc2ncncc2Cl)c1	782160414	SGHUVIOPCJNATK-UHFFFAOYSA-N	319.752	1.774	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cn(-c2ccccc2Cl)nn1	780706167	LUYAYAASPQXNSS-UHFFFAOYSA-N	322.756	1.227	50	20	DDGD	
CN1CCC[C@H]1c1cc(C(=O)NNc2ccc(Cl)nn2)n[nH]1	896439133	PDEFFEONVMNXSN-JTQLQIEISA-N	321.772	1.377	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2ccccc2[N+](=O)[O-])C1	786688044	KPEJOUSOVNNWNW-NXEZZACHSA-N	306.322	1.330	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccccc1CC(C)C	791746529	JZAXCTXCNKJVTA-GFCCVEGCSA-N	320.389	1.988	50	20	DDGD	
Cc1cccnc1NNC(=O)c1ccc(-c2ncn(C)n2)cc1	791222646	NZDKKECNZUEQSH-UHFFFAOYSA-N	308.345	1.942	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1cccc(F)c1[N+](=O)[O-])C(C)C	790593959	BGXAZAXHSJGTMH-LLVKDONJSA-N	312.301	1.338	50	20	DDGD	
Cc1ccc(-c2n[nH]cc2C=NNC(=O)N2CCN(C)CC2)o1	790175408	ZQKZOWTXXYMPCF-UHFFFAOYSA-N	316.365	1.269	50	20	DDGD	
CNC(=O)c1ccc(C=NNC(=O)c2ccc(O)c(O)c2)cc1	794557909	BOZPMHHLOYCWJY-UHFFFAOYSA-N	313.313	1.221	50	20	DDGD	
CSSCCNC(=O)N[C@@H](C)CCN1CCN(C)CC1	790833245	ARRWRYXHFOSWMT-LBPRGKRZSA-N	320.528	1.323	50	20	DDGD	
O=C(NCCn1cncn1)NNc1cc(Cl)cc(Cl)c1	790277460	QBKXCICQPRTXGE-UHFFFAOYSA-N	315.164	1.911	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H]2CCCC[C@@H]2C1	1318507820	RSIYGLQGCMGLCE-HUUCEWRRSA-N	316.405	1.877	50	20	DDGD	
CCNC(=O)NN=Cc1c(Br)cc(C(=O)O)n1C	1318642955	ZFPAZEOZUHZJRF-UHFFFAOYSA-N	317.143	1.139	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cc2cc[nH]c2cn1	1329889080	WSCMIPCCRMKEJL-WPRPVWTQSA-N	303.322	1.141	50	20	DDGD	
CCN1C[C@@H](NC(=O)NNc2ccc(C(C)(C)C)nn2)CC1=O	1324902165	ICOXUQTUAUFUDE-JTQLQIEISA-N	320.397	1.021	50	20	DDGD	
CN1CCN(C(=O)Cc2ccc(NC(=O)CCl)cc2)CC1	1323269904	QPOWKEICFNWREA-UHFFFAOYSA-N	309.797	1.180	50	20	DDGD	
COC(=O)N(C)N=Cc1ccc(N2CCN(C)CC2)c(F)c1	1322414941	IKHIORLKSZVONQ-UHFFFAOYSA-N	308.357	1.610	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@@H]1CCC[C@H](F)C1	1326766493	ITRXHWGMSHDIMB-QWHCGFSZSA-N	323.368	1.849	50	20	DDGD	
C=C(CBr)COC(=O)Cn1cc(C2CC2)nn1	1321078902	FJSJWUFXJJUDSH-UHFFFAOYSA-N	300.156	1.650	50	20	DDGD	
Cc1coc(C(=O)NNC(=O)c2c(C)nc3ccccn23)c1C	1321814159	BZXGAHCDEQKSGW-UHFFFAOYSA-N	312.329	1.927	50	20	DDGD	
CC1=Nc2ccc(F)cc2/C1=C/NNC(=O)C[n+]1ccccc1	1256369657	HJRRNAJRBKXCHT-UHFFFAOYSA-O	311.340	1.881	50	20	DDGD	
CCc1cc(C(=O)NNC(=S)Nc2ccccn2)c(C)nn1	1330917286	SXMQXORJZODRAX-UHFFFAOYSA-N	316.390	1.374	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)C2CCOCC2)c1Cl	1333463064	YPXUCDRGMICSBN-UHFFFAOYSA-N	314.773	1.052	50	20	DDGD	
O=C(NNc1ccc(F)cn1)Nc1ccnn1C[C@H]1CCOC1	1333441454	QACKFLKCYKQUOO-SNVBAGLBSA-N	320.328	1.602	50	20	DDGD	
O=C(NCC(=O)N1CCCC1)NNc1c(F)cc(F)cc1F	1339795450	OZKIQEIZMYHAEN-UHFFFAOYSA-N	316.283	1.352	50	20	DDGD	
CNC[C@H](C)CNC(=O)NNC(=O)c1ccc(Cl)cc1F	1348555587	QLOUIAFMNKSQDD-QMMMGPOBSA-N	316.764	1.279	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCc2nccn2C)c1C	1347111773	ZZBWDHGKPSDEMC-UHFFFAOYSA-N	316.361	1.591	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNc1ccc(C(F)(F)F)nn1	1346558256	TZLKYQAYBLFMGB-UHFFFAOYSA-N	313.239	1.160	50	20	DDGD	
Cc1c(C(F)(F)F)n[nH]c1C(=O)NNC(=O)c1cccn1C	1353379418	ZBTIWUBSVDUANF-UHFFFAOYSA-N	315.255	1.150	50	20	DDGD	
C[C@@H](NC(=O)[C@@H](Br)C(C)(C)C)c1nnnn1C	1514767933	LRQMMJBEXOWOLJ-RNFRBKRXSA-N	304.192	1.197	50	20	DDGD	
O=C(O)CCCONC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	1601994981	MWCJYDKJJNTXHU-HOTUBEGUSA-N	320.183	1.853	50	20	DDGD	
Cc1ocnc1CNC(=O)NNc1cccc(C(=O)O)c1C	1600861697	TYMRRYCHIJKODV-UHFFFAOYSA-N	304.306	1.816	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1ccc2c(c1)OCCO2	1608482763	KXJYSNXMVKSXRF-UHFFFAOYSA-N	314.297	1.913	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H]2C[C@H]2C(C)C)o1	1603407209	QOLZVRKNDWWNMN-IUCAKERBSA-N	319.369	1.713	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H]1C[C@@H](C(=O)O)c2ccccc21	1605619141	TYNZMZNXLHZPGL-ISQLRJPISA-N	300.314	1.860	50	20	DDGD	
CN(CCCC(=O)O)S(=O)(=O)c1ccc(CCl)cc1	1604167350	JFFNOQRLEFBWNF-UHFFFAOYSA-N	305.783	1.911	50	20	DDGD	
O=C(NCCC1(O)CCC1)NNc1ccc(F)c(C(=O)O)c1	1601490834	MFQWKAOAVNEDOZ-UHFFFAOYSA-N	311.313	1.455	50	20	DDGD	
CCc1[nH]c(C(=O)NNc2ccc(OC)cn2)c(C)c1C(=O)O	1610054188	IUQTVYPJJOTNBQ-UHFFFAOYSA-N	318.333	1.744	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C(=O)NN=Cc1ccns1	1549318250	XIIJNCCWKZLOAR-NWDGAFQWSA-N	319.390	1.495	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cccc(C(=O)O)c2)s1	1610207293	OYYXOSXENSVBGZ-UHFFFAOYSA-N	320.326	1.990	50	20	DDGD	
CC(COC(C)C)=NNC(=O)[C@@H]1CCCO[C@@H]1c1nccn1C	1549309219	HPLIUBYSMFNLJF-KGLIPLIRSA-N	322.409	1.805	50	20	DDGD	
BrC[C@@H](CN1CC[C@@]2(CNCCO2)C1)C1CC1	1574449027	VYMSTRSLJZUPGP-QWHCGFSZSA-N	303.244	1.472	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)[C@H]3CCCCN3)cc2C1	1573650142	WUKWTVWWJYQKDK-CMPLNLGQSA-N	321.446	1.776	50	20	DDGD	
C[C@@]1(C(=O)NNc2cc(C(F)(F)F)ccn2)C[C@@H](N)CCO1	1576351161	XIILBVNSSQKQGN-CABZTGNLSA-N	318.299	1.440	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC(C(=O)O)C2)c1C	1589694541	HXZXRHSNYKVLDT-VGOFMYFVSA-N	315.373	1.965	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NNc2ccc(F)c(C(=O)O)c2)C1	1589066163	FTCGKYQPECXPOV-JTQLQIEISA-N	323.324	1.226	50	20	DDGD	
CCC(CC)(C(=O)O)C(=O)NNC(=O)c1ccc(OC)cc1	1589475705	HYICNWVPORVQJV-UHFFFAOYSA-N	308.334	1.347	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@@H](O)C1CCCCCCC1	1595262290	XIYKKNSNQJWCOI-ZDUSSCGKSA-N	321.377	1.944	50	20	DDGD	
C=CC[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843365791	JSWMYIWIUGUPEU-MNOVXSKESA-N	302.777	1.936	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@H](F)C(=O)O)c1C	1596108947	XYJZKDQGKSVLGB-GUNGLEHYSA-N	321.352	1.961	50	20	DDGD	
O=C(C(Cl)Cl)N1CC2(CCCN2C(=O)CC2CC2)C1	1842770974	IJTJSMXODRBKKP-UHFFFAOYSA-N	305.205	1.794	50	20	DDGD	
COc1nsc(OC)c1C(=O)NNc1cccc(C(=O)O)c1	1599741093	CWXNPRQNMKGZCT-UHFFFAOYSA-N	323.330	1.615	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CC(C(=O)O)C2)cc1	1592426506	SQCGDUIJLOYZSP-GHXNOFRVSA-N	300.314	1.535	50	20	DDGD	
COCCCOCCC(=O)NNc1ccc(F)c(C(=O)O)c1	1599226338	OWPCNLSIQCIMCS-UHFFFAOYSA-N	314.313	1.410	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCC[C@H](CCC(=O)O)C2)cn1	1594538471	QXOPGJIPBMHDQE-AISSWFOISA-N	316.361	1.430	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NN=Cc1cccc(C(=O)O)c1	1776098342	HQKYMBWVTPTHEY-ZDUSSCGKSA-N	303.362	1.708	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=C1CC(C(=O)O)(c2ccccc2)C1	1776102514	ROUFMPAUSAPMJZ-RFOFMGPBSA-N	316.357	1.700	50	20	DDGD	
O=C(Cc1ccccn1)NN=Cc1cc(Cl)ncc1C(=O)O	1776043297	FWAHHIJIGVJHIL-UHFFFAOYSA-N	318.720	1.521	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)COc2ccccc2F)cn1	16225168	BZRCSYRHYBBKGB-UHFFFAOYSA-N	319.292	1.069	50	20	DDGD	
CCOc1ccccc1C(=O)NCC(=O)NNc1ccncc1	162349978	DLLYPJSEQRKKOM-UHFFFAOYSA-N	314.345	1.353	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCCOc2ccccc2C)[nH]n1	152971015	MLUGEFSLFMTWQW-UHFFFAOYSA-N	316.361	1.647	50	20	DDGD	
CCCOc1cccc(CC(=O)NNC(=O)c2ccc[nH]2)c1	152982415	YWHCMNMSKCPEAX-UHFFFAOYSA-N	301.346	1.807	50	20	DDGD	
O=C(NNC(=O)c1cc[nH]c(=O)c1)c1cccc(OC(F)F)c1	154762293	HCFHKTPZDUYSMF-UHFFFAOYSA-N	323.255	1.051	50	20	DDGD	
COc1ccc(CCNS(=O)(=O)CCCCl)cc1OC	36881397	AIEVNVXJVIBYFR-UHFFFAOYSA-N	321.826	1.795	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)CCC1(O)CCC1	869376136	PRNJNFBYEITJTR-UHFFFAOYSA-N	306.362	1.981	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(Br)cn2)ncn1	172272632	NPGZPFUJBBYEKT-UHFFFAOYSA-N	308.139	1.699	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NC[C@H](Cc1ccccc1)N(C)C	28805545	RWOSFISBXDGEHX-STTHAQSSSA-N	301.390	1.719	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@H]1Cc2ccccc2C(=O)O1	28716879	NUPPDXPLKGGSQZ-NSHDSACASA-N	321.402	1.062	50	20	DDGD	
C[C@H]1CC[C@@H](CCC(=O)NNC(=O)CNc2ccccc2)O1	175103906	HMGAQEBDEQUIBL-JSGCOSHPSA-N	305.378	1.594	50	20	DDGD	
C[C@@H](CCc1cccn1C)NC(=O)NNC(=O)c1ccccc1	174778024	OEMCFZVWEYZAFL-ZDUSSCGKSA-N	314.389	1.990	50	20	DDGD	
C=CCc1ccc(OCC(=O)NNc2cnccn2)c(OC)c1	114881859	JKQLXZRBXKJION-UHFFFAOYSA-N	314.345	1.736	50	20	DDGD	
N#Cc1ccccc1/C=C/C(=O)NNC(=S)Nc1ccccn1	178152342	MYHRJZBCHYBGOX-CMDGGOBGSA-N	323.381	1.984	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccc(-n3cccn3)cc2)nn1	171555432	LYBQULKGMOIODJ-UHFFFAOYSA-N	323.360	1.797	50	20	DDGD	
Cc1[nH]c2ccc(C(=O)NNC(=O)c3cnn(C)c3)cc2c1C	117820090	DEKKOTUAJNGKBW-UHFFFAOYSA-N	311.345	1.593	50	20	DDGD	
CC(C)NC(=O)CCCC(=O)NNC(=O)Cc1ccccc1F	66928365	TYIQRRRYKYXMFE-UHFFFAOYSA-N	323.368	1.211	50	20	DDGD	
Cc1cc(CN(C)CC(=O)NNC(=O)c2ccc(F)cc2)no1	29727222	ZCYJBJCGPYGZQU-UHFFFAOYSA-N	320.324	1.015	50	20	DDGD	
C[C@H]1CCCC[C@@H]1OCC(=O)NNC(=O)c1ccccc1O	113414012	BHUWQFVVDNZXCY-FZMZJTMJSA-N	306.362	1.749	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNc1ncncc1Cl)c1cnn(C)c1	1341593269	MABJPNCONDWKQA-LLVKDONJSA-N	323.788	1.887	50	20	DDGD	
CC[C@@H](C)N(C)CCNC(=O)NNC(=O)c1ccccc1F	66202789	RQPQNMCUPKXORD-LLVKDONJSA-N	310.373	1.500	50	20	DDGD	
O=C(NNc1cccnn1)[C@@H]1CCCN1Cc1ccc(F)cc1	176164512	VIESPSSCEMJWJA-AWEZNQCLSA-N	315.352	1.723	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2[nH]nc3c2CCCC3)nc1	179794940	GZNMLFGIHBQWDK-UHFFFAOYSA-N	315.333	1.227	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12	64884600	GLQYGGWZLLMJNB-UHFFFAOYSA-N	319.321	1.820	50	20	DDGD	
CN(C)N(C(=O)[C@H]1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1	179371048	ZJOKBNBRKAXEJV-STQMWFEESA-N	316.467	1.695	50	20	DDGD	
CC(C)(C)c1ccccc1OCC(=O)NNC(=O)[C@@H]1CCCO1	32259647	ZDFFTBAXUJQZBT-AWEZNQCLSA-N	320.389	1.689	50	20	DDGD	
Cc1ccc(NC(=O)NNc2ccc(C(N)=O)nn2)cc1C	122277778	UGZQNXJWKGBSGF-UHFFFAOYSA-N	300.322	1.341	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Cc1cc2ccccc2[nH]c1=O	121107424	AMPIIXFQKCJIFB-UHFFFAOYSA-N	317.345	1.627	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)c2cccc3ncccc23)c(C)n1	180319478	DBEBLWNOYTWTCR-UHFFFAOYSA-N	321.340	1.716	50	20	DDGD	
CCOC(=O)NNC(=O)c1cnn(-c2ccc(F)cc2)c1CC	71863049	SZUXYKRGRMZCPI-UHFFFAOYSA-N	320.324	1.965	50	20	DDGD	
CCOC(=O)N[C@H]1CCCN(S(=O)(=O)CCCCl)C1	37842815	IUQATUWUSJSQMC-JTQLQIEISA-N	312.819	1.156	50	20	DDGD	
C[C@@H]1CCC[C@H](C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1	129409560	UPZDXRGGPMGOJS-XUJVJEKNSA-N	318.373	1.800	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@](C)(O)Cc2ccccc2)s1	73074915	ZSNVYZRQLULURI-MRXNPFEDSA-N	318.398	1.811	50	20	DDGD	
Cc1cc(C(=O)NNc2ccccc2)cc(S(N)(=O)=O)c1C	121045073	AQXBCIGORMQCJB-UHFFFAOYSA-N	319.386	1.708	50	20	DDGD	
COc1cc(C(=O)NNc2ncccn2)ccc1OC(F)F	123946374	ROPFEYZCVWECRV-UHFFFAOYSA-N	310.260	1.844	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)c1ccc(F)cc1)[C@H]1CCCO1	182253008	IMTXEVOFBGCBKK-UONOGXRCSA-N	323.368	1.134	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CCc1c[nH]cn1	188855249	DVZVJIYYAPYLDZ-SNVBAGLBSA-N	320.324	1.096	50	20	DDGD	
Cn1c(NNC(=O)C(C2CC2)C2CC2)nc2ccccc2c1=O	129030568	RXMRSCGVVKIGEB-UHFFFAOYSA-N	312.373	1.813	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1cccc(C2OCCO2)c1	122318489	AYPVXSRZIGACCA-UHFFFAOYSA-N	301.302	1.135	50	20	DDGD	
C[C@@](O)(CC(=O)NNC(=O)NC1CCCCC1)c1ccccc1	181771185	QBNJOTDLYMMFAO-QGZVFWFLSA-N	319.405	1.947	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C[C@H]1C=CCC1	71822130	HMECAGUIXCSTRV-LBPRGKRZSA-N	303.362	1.611	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1ccc(Cl)o1	73314795	CWGCYMUFABOOKR-UHFFFAOYSA-N	323.736	1.815	50	20	DDGD	
O=C(NCc1nccs1)NNC(=O)c1ccc(Cl)cc1	80043888	DWBKHPAMGAAUQE-UHFFFAOYSA-N	310.766	1.941	50	20	DDGD	
O=C(NCCCOc1ccccc1)NNC(=O)c1ccc[nH]1	192997796	YJGNYGAXJQIHQN-UHFFFAOYSA-N	302.334	1.428	50	20	DDGD	
CCC[C@@H]1CN(CC(=O)NNC(=O)c2cccc(C)c2)CCO1	131651045	CGMHZACEFAWFNA-OAHLLOKOSA-N	319.405	1.257	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(C#N)cc1)N(C)CC(F)(F)F	193634844	QUWMCHBNCCCYGT-SECBINFHSA-N	300.284	1.884	50	20	DDGD	
COc1cccc(OCC(=O)NNC(=O)c2ccccc2)c1	42136394	GFMUMPLVHUHQFJ-UHFFFAOYSA-N	300.314	1.535	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccnc1OCC(F)F	90039192	YBUQZQLTIVBWLF-UHFFFAOYSA-N	316.308	1.470	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1c(F)cccc1Cl	91821897	IYJIYEPLZNXYJH-UHFFFAOYSA-N	321.830	1.951	50	20	DDGD	
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NNC(=O)[C@@H]1CCCO1	93965137	VFGKTUHUQAKORE-NSHDSACASA-N	321.333	1.460	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@@H](O)CC(C)(C)C	265294415	DLPKWEURYQOIQF-LBPRGKRZSA-N	307.394	1.736	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)C(C)(C)C	265281549	OPHHDTYMIPEFEV-SNVBAGLBSA-N	316.365	1.106	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H]2CCCCS2)c1O	272978137	OLAJDSWPYFKDJI-NSHDSACASA-N	310.375	1.448	50	20	DDGD	
O=C(NNc1cccnn1)[C@H]1CCCCN1C(=O)c1ccco1	273259616	ZCROONBJPAKMBG-LLVKDONJSA-N	315.333	1.208	50	20	DDGD	
CCC(=O)c1ccc(OCCCCC(=O)NN(C)C(N)=O)cc1	272897580	OXMDRTPSXXPNRH-UHFFFAOYSA-N	321.377	1.870	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(C(OC)OC)o1	279142945	GLKBJZXXAFQKGL-UHFFFAOYSA-N	308.294	1.127	50	20	DDGD	
CCC[C@H](C(=O)NNC(=O)COc1ccccc1O)C(C)C	270673066	QGXVOBKCNXHKIW-LBPRGKRZSA-N	308.378	1.991	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NC[C@H](O)C1CCOCC1	279874117	NIGDLUCWDYSOKJ-MBSJSRAVSA-N	316.357	1.203	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNc1nnc(-c2ccccn2)s1	276487257	RUBQFFAQYNSJEN-QMMMGPOBSA-N	321.362	1.242	50	20	DDGD	
CCCCc1nnc(NC(=O)NNC(=O)c2ccccn2)s1	273396520	HPDRQYMGPFJOKY-UHFFFAOYSA-N	320.378	1.742	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H]2CCCCN2C2CC2)nn1	277954021	XWLXJPYQPCRRBM-CYBMUJFWSA-N	304.398	1.428	50	20	DDGD	
COCCCOCC(=O)NNC(=O)C(C)(C)c1ccccc1	271887782	WNHJVFUKXPZXMQ-UHFFFAOYSA-N	308.378	1.165	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H]1CCCc2c(O)cccc21	276444061	KVJACQVNODMUNX-ZDUSSCGKSA-N	321.377	1.179	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N1CCOCC1)c1ccc(OC)cc1	271756725	XHZDTZMOESXLSN-AWEZNQCLSA-N	321.377	1.262	50	20	DDGD	
CN(C)c1cccc(CNS(=O)(=O)CBr)c1	272804649	LZCIDEUWACQLEJ-UHFFFAOYSA-N	307.213	1.524	50	20	DDGD	
COC(=O)c1c(F)cc(NC(=O)NNC(=O)C2CC2)cc1F	283378064	FNMVXSRIDLIKRY-UHFFFAOYSA-N	313.260	1.314	50	20	DDGD	
COCCN(C)NC(=O)CCc1ccccc1Br	288311477	CMWVBFATSRVTSN-UHFFFAOYSA-N	315.211	1.991	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ncccc1F)N1C[C@@H](C)O[C@H](C)C1	285920147	IVDDPNKZPRTJOF-YRGRVCCFSA-N	324.400	1.798	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@H]1CC(=O)N(C2CCCC2)C1	376237386	SADOSJLQCWAULU-JTQLQIEISA-N	306.341	1.455	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2O[C@H](C)C[C@H]2C)cc1	282638091	KEWLINQBDWYLPG-LALPHHSUSA-N	306.362	1.335	50	20	DDGD	
Cc1nc2ccc(NC(=O)NNC(=O)OC(C)(C)C)cn2n1	289517345	CCTVHHZINCNBTI-UHFFFAOYSA-N	306.326	1.599	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H](C)CO[C@@H]2CCOC2)cc1	297966775	NKRAPETXRFIJTB-IUODEOHRSA-N	323.393	1.905	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@H](OC)C1CC1	296727508	UMHUFWAKGDTKAQ-ZDUSSCGKSA-N	307.350	1.064	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2CCC(=O)N2C)c1C	806375636	NLAFQZCMNZATDB-GFCCVEGCSA-N	320.418	1.242	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2ccc(C3CCC3)cc2)CC1	807380035	AJEKSUQUCLEHDR-UHFFFAOYSA-N	316.405	1.556	50	20	DDGD	
C#CCOc1cc(F)ccc1NC(=O)NNC(=O)[C@@H]1CCCO1	293389323	QHZRGQAKOOHJSB-LBPRGKRZSA-N	321.308	1.169	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)C[C@H]2CCCO2)cc1	802123586	ONOUUYLNRSRTCG-CYBMUJFWSA-N	306.366	1.474	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1cccc(C2OCCO2)c1	808859140	DBLYXHDZBANCFX-UHFFFAOYSA-N	305.334	1.685	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)C[C@@H]2COC(=O)C2)cc1C	291141775	HRUOXFZRMZNKSE-NSHDSACASA-N	320.345	1.568	50	20	DDGD	
Cc1noc(Cl)c1CCC(=O)NNC(=O)NC1CCCC1	299715138	WWEVOGXFJYQWQT-UHFFFAOYSA-N	314.773	1.842	50	20	DDGD	
CCC(CC)n1nc(C)cc1C(=O)NNC(=O)[C@@H]1CCCO1	294787805	ZVKFDQMBDCDLEJ-ZDUSSCGKSA-N	308.382	1.493	50	20	DDGD	
CC(C)(C)C(=O)NN=Cc1ccc(S(N)(=O)=O)c(Cl)c1	807963864	NCCBCRMGYULNNG-UHFFFAOYSA-N	317.798	1.484	50	20	DDGD	
CCCCN(Cc1ccccc1O)[C@H](C)C(=O)NNC(=O)CC	801598127	UZMWYTXVWMKFGP-CYBMUJFWSA-N	321.421	1.940	50	20	DDGD	
Cn1cc(/C=C(\C#N)S(=O)(=O)NC2CC2)c(C(F)F)n1	291638420	SXIZLRAEVQIQNW-RUDMXATFSA-N	302.306	1.304	50	20	DDGD	
C[C@H](CCOc1ccccc1)C(=O)NNC(=O)[C@H]1CCCCO1	295672330	XCWRFYMBCJSZSK-UKRRQHHQSA-N	320.389	1.808	50	20	DDGD	
CC(C)(C)OCCCC(=O)NNC(=S)NCC1CCC1	803179261	JOGVNYZBPSUSAJ-UHFFFAOYSA-N	301.456	1.877	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1cccc(CO)c1	813545628	MIWWXBAVKJGSLM-UHFFFAOYSA-N	305.265	1.983	50	20	DDGD	
CC(Cc1ccc(F)cc1)=NNC(=O)[C@H]1CCS(=O)(=O)C1	814782031	JILVNNIEPXFKMN-LBPRGKRZSA-N	312.366	1.295	50	20	DDGD	
CCC(C)(C)C(=O)NNc1ccccc1S(=O)(=O)N(C)C	817054370	GXWJVUBDQHCUBR-UHFFFAOYSA-N	313.423	1.816	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=C1CC[C@@H](C(=O)O)c2ccccc21	814954703	NBGOQDGDTYMJHU-CYBMUJFWSA-N	312.329	1.435	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CCCSC2)cc1	810008074	YRYSZIJIYFCSRS-GFCCVEGCSA-N	307.419	1.698	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1cnc2sccn2c1=O	817008587	YKPNYMOHGUCREE-UHFFFAOYSA-N	321.749	1.561	50	20	DDGD	
COc1ncc(C(C)=NNC(=O)Cc2cc[nH]n2)cc1Cl	814954336	DDGDHBVVSBBBBH-UHFFFAOYSA-N	307.741	1.550	50	20	DDGD	
O=C(CCc1nc2ccccc2oc1=O)NNC(=O)CC1CC1	819136131	NAAMJTUSKSSRKN-UHFFFAOYSA-N	315.329	1.068	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)NCC1CC1)[C@@H]1OCCc2sccc21	814627192	VRKVPQKIEHWAGX-RNCFNFMXSA-N	323.418	1.738	50	20	DDGD	
CCC1(CC)C(=O)NCCC1=NNC(=O)NCC(F)(F)F	819805779	BDFPQDNRWRLMLY-UHFFFAOYSA-N	308.304	1.530	50	20	DDGD	
CO[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	814359037	XKOUWYQHBPQJOY-DGCLKSJQSA-N	321.333	1.561	50	20	DDGD	
CC(C)N1C(=O)C(=NNC(=O)c2cccn2C)c2ccccc21	725845818	NBLHAMLJCLTHKB-UHFFFAOYSA-N	310.357	1.914	50	20	DDGD	
O=S(=O)(CBr)N1C[C@@]2(CCCO2)[C@@H]1C1CC1	815104249	FOSKZRNYXYJXRR-UWVGGRQHSA-N	310.213	1.312	50	20	DDGD	
CN(C)CC(=O)NN=C1CCC2(CC1)C(=O)Nc1ccccc12	727647922	OCNWNLRXYPTRFD-UHFFFAOYSA-N	314.389	1.484	50	20	DDGD	
CN(NC(=O)C[C@H](CC(C)(C)C)C(=O)NN(C)C1CC1)C1CC1	819652101	ASVJTSYLLBFUGK-GFCCVEGCSA-N	324.469	1.680	50	20	DDGD	
COC(=O)c1ccc(Cl)c(C(=O)NNC(=O)NC2CC2)c1	810585118	LNUUCVZGMMTDHO-UHFFFAOYSA-N	311.725	1.233	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)Cn1cnc2ccccc21	812451686	JOYLGVLDHZGIAY-VXGBXAGGSA-N	318.377	1.102	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=Cc2snnc2C)c1	814215844	VNWDHSOQFBHICA-UHFFFAOYSA-N	306.347	1.628	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2	726075850	ICUDDNBKCSPGQD-RWMBFGLXSA-N	313.467	1.687	50	20	DDGD	
COCCn1cc(C(=O)NNc2cccc(Cl)n2)c(C)n1	817010768	PZCDPUUZWMKZPV-UHFFFAOYSA-N	309.757	1.643	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cc(F)cc2ccoc12	829557596	MMHUFZLKAZQKIG-UHFFFAOYSA-N	306.293	1.760	50	20	DDGD	
Cc1ccc(C#N)cc1C(=O)NNC(=S)N[C@@H](C)C1CC1	824446528	MILBQJNYBKHOQZ-JTQLQIEISA-N	302.403	1.774	50	20	DDGD	
O=C(CC1(O)CCC1)NNC(=O)c1ccc(Cl)cc1F	826616198	UZVWPYXISYFESD-UHFFFAOYSA-N	300.717	1.545	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2ccncc2)cc1F	726434665	QOCSWKSKVRPWQB-UHFFFAOYSA-N	320.349	1.861	50	20	DDGD	
COc1ccc(C(=O)NN(C)[C@H](C)CO)c(OC(F)F)c1	823928755	RCQOMLWISMRMAL-MRVPVSSYSA-N	304.293	1.254	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CSc1ccc(C#N)cc1	728613664	DPFVJIVHDMHFQM-UHFFFAOYSA-N	322.459	1.944	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CSC2CC2)c2ccccc21	822228340	PQTSOSWLYUMSPL-UHFFFAOYSA-N	303.387	1.835	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NC[C@@H]1CCC[C@H](O)C1	491163948	YWTXVLQNBNGSMR-DPGSSJLYSA-N	300.358	1.966	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)[C@@H]1[C@H]2CCC[C@H]21	494969872	HNUREYRNBKYNNW-IAZYJMLFSA-N	311.382	1.095	50	20	DDGD	
CN(NC(=O)Cc1ccc2c(c1)OCCO2)C(=O)OC(C)(C)C	497263320	SPNOTXZYAZLSQE-UHFFFAOYSA-N	322.361	1.898	50	20	DDGD	
COCCCOCCC(=O)NNc1nc(-c2ccncc2)no1	825303946	NWZIITRHIOCZEP-UHFFFAOYSA-N	321.337	1.018	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)N(CC)CC	825038492	DALVKHDBXWHAFF-ZDUSSCGKSA-N	317.397	1.430	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)Cn2ccc3ccccc32)CO1	825937816	CQEIRGNPUAWLKP-YPMHNXCESA-N	316.361	1.149	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1ccccn1)c1ccc(F)cc1	728511775	DLUHKMKTQKPCSM-UHFFFAOYSA-N	301.321	1.960	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2ncccc2C(F)(F)F)n1	825985103	YFYFTQWTGKYFNF-UHFFFAOYSA-N	314.271	1.777	50	20	DDGD	
COCCCOCCC(=O)NNc1oc(C(C)C)nc1C#N	824639966	UVLAIJMHHXERSS-UHFFFAOYSA-N	310.354	1.556	50	20	DDGD	
CC(C)(C)OC(=O)NCC1(CC(=O)NNc2ccncn2)CC1	496235700	HCFSERUVQOHURZ-UHFFFAOYSA-N	321.381	1.615	50	20	DDGD	
Cc1cc(NCCNC(=O)[C@]2(C)C[C@@H]2Br)n(C)n1	907916578	QSMWKTMCCFBBAL-JOYOIKCWSA-N	315.215	1.430	50	20	DDGD	
COC(=O)C1CCN(C(=O)[C@@]2(C)C[C@H]2Br)CC1	905113510	QSXNKTRVSYNSKW-SKDRFNHKSA-N	304.184	1.572	50	20	DDGD	
Cc1ccccc1C[C@H]1CCCN1C(=O)c1ccc(B(O)O)cc1	584947396	OSOWKDXMJGAHPS-GOSISDBHSA-N	323.201	1.522	50	20	DDGD	
O=S(=O)(CBr)N1CCC[C@@H]1c1ncccn1	907331255	FWPKJWGRGMAIOJ-MRVPVSSYSA-N	306.185	1.296	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@@]2(O)CCc3ccccc32)cn1	491084824	PGPZLLQNHNANQD-KWJIGKFDSA-N	322.368	1.277	50	20	DDGD	
O=C(NN=C1CC(C(=O)O)(c2ccccc2)C1)[C@@H]1CCCCO1	834986188	SBWIUJBGNZQXLR-MBIQTGHCSA-N	316.357	1.844	50	20	DDGD	
Cc1ncccc1NC(=O)[C@H](C)NC(=O)NNC(=O)C(C)(C)C	836292125	MWACVXBBOQEMCR-JTQLQIEISA-N	321.381	1.094	50	20	DDGD	
CSc1ccccc1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	831063077	SZLFLFHIHSVDDZ-UWVGGRQHSA-N	309.391	1.986	50	20	DDGD	
COc1cccc(CNC(=O)NNc2cccnn2)c1OC	736379607	WRYVDNKTEXWKPP-UHFFFAOYSA-N	303.322	1.320	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)c1	905098596	NBGZDKITGIISOJ-DDTOSNHZSA-N	317.414	1.846	50	20	DDGD	
CCc1nnc(CNC(=O)[C@@]2(C)C[C@H]2Br)s1	908300501	MQXGVLCFSDJVPZ-LDWIPMOCSA-N	304.213	1.890	50	20	DDGD	
CC[C@@H](Cc1ccccc1)C(=O)NNC(=O)C(=O)N1CCCC1	732755115	ORWNVCNEWMEQRA-AWEZNQCLSA-N	317.389	1.025	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNc1ccc(C(F)(F)F)nn1	839712441	IKUWTCQSSXBURF-ZETCQYMHSA-N	320.271	1.528	50	20	DDGD	
OB(O)[C@@H]1CCN(Cc2ccc(OCc3ccncc3)cc2)C1	585076532	NBPHQFKJMVEBQE-MRXNPFEDSA-N	312.178	1.709	50	20	DDGD	
O=C(NCc1ccc(Cl)s1)NNC(=O)[C@H]1CCCCO1	836207380	SHQNIBASYPIAEK-SECBINFHSA-N	317.798	1.801	50	20	DDGD	
Cc1cc(CC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)no1	738378147	BAMRNJXPXJBFBJ-UHFFFAOYSA-N	306.230	1.738	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cccc2c1OCCO2	831342221	ZCDNBXGPBPRILM-ZJUUUORDSA-N	321.333	1.036	50	20	DDGD	
Cc1ccc(C#N)cc1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	831382644	QDSKUWUBEGREDA-CMPLNLGQSA-N	302.334	1.444	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCC(c2ccccc2)CC1	584927366	BLUGAIZQSIHQOS-UHFFFAOYSA-N	309.174	1.386	50	20	DDGD	
CSCCCNC(=S)NNC(=O)c1ccc(C)c(O)c1	905535926	FCHUKJVFSRJOQX-UHFFFAOYSA-N	313.448	1.563	50	20	DDGD	
COCCOc1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1	732052341	JQLUPTLYNPSQOT-UHFFFAOYSA-N	303.318	1.115	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1CC[C@H](c2cccc(F)c2)C1	585038488	AQZBOLIJAVJMOG-WMLDXEAASA-N	313.181	1.931	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)C#CC(C)(C)C)cc1	837665372	KILKORBUWLHCMV-UHFFFAOYSA-N	323.418	1.430	50	20	DDGD	
COCN1C(=O)CCc2cc(NS(=O)(=O)CCl)ccc21	831206591	HPKUXSCWSHPJKP-UHFFFAOYSA-N	318.782	1.508	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNC(=O)c1c[nH]c2ccccc12	838775116	BPEVWFYZOQLTCC-KGLIPLIRSA-N	316.361	1.679	50	20	DDGD	
COCCN(C)NC(=O)[C@@](C)(O)c1cccc(C(F)(F)F)c1	837623270	IEHWQGLTSAGFRV-ZDUSSCGKSA-N	320.311	1.522	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2nonc2C)cc1	736666673	JIRVDXZOWRLFPC-UHFFFAOYSA-N	306.347	1.240	50	20	DDGD	
CCN(CC)CCC(=O)NNC(=S)Nc1ccc(OC)cc1	916126561	DNNBTCULWAAYBW-UHFFFAOYSA-N	324.450	1.745	50	20	DDGD	
CC(=O)NN=C1C(=O)Nc2c(Br)cc(Cl)cc21	735608970	JSEKKTWEVHBZJE-UHFFFAOYSA-N	316.542	1.895	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2C[C@H](C)n3ccnc32)cc1	834934704	GOLMANNSMKXHDU-NSHDSACASA-N	311.345	1.615	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)Cn1cc([N+](=O)[O-])cn1	913001504	WRNWSQSSQHYIKN-UHFFFAOYSA-N	320.261	1.922	50	20	DDGD	
O=C(Cc1ccc(NC(=O)C2CC2)cc1)NNC(=O)C1CC1	742473050	TXQSPFZTPYJYBH-UHFFFAOYSA-N	301.346	1.135	50	20	DDGD	
COc1ccc(CCCC(=O)NN(C)C[C@H](C)O)c(OC)c1	910161192	VINMDEGNQJKDHH-LBPRGKRZSA-N	310.394	1.370	50	20	DDGD	
CS[C@@H]1CCCCN([C@@H](C)C(=O)NNC(=O)CC(C)C)C1	749466102	PWRLFXVKMVDVGU-QWHCGFSZSA-N	315.483	1.786	50	20	DDGD	
COCC1(CC(=O)NNC(=O)c2cn(C)c3ccccc23)CC1	843756967	GWXFGAYATPQQNV-UHFFFAOYSA-N	315.373	1.756	50	20	DDGD	
CCC(CC)(CO)C(=O)NNc1cccc(C(=O)OC)c1F	848209634	MSVVTFACSZXXBW-UHFFFAOYSA-N	312.341	1.854	50	20	DDGD	
O=C(Cc1ccc(-n2cccc2)cc1)NNC(=O)c1ccccn1	914747393	IQJHWJPRTXKPCD-UHFFFAOYSA-N	320.352	1.876	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1ccc(CCCl)cc1	917743188	HOKJGTWEMYESGW-UHFFFAOYSA-N	318.826	1.824	50	20	DDGD	
COC(=O)[C@@H]1CN(/C(=C/C#N)c2ccc(F)cc2)C[C@H](C)O1	844420525	YVOJBIJRWVFDQF-KAJYVJLGSA-N	304.321	1.952	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(O)nc2ccccc12	843638925	FFHRRTVXKXIYQY-ZJUUUORDSA-N	315.329	1.126	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O	843759457	IGLBEGWFROUETP-UHFFFAOYSA-N	315.713	1.761	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNC(=O)COc1ccccc1F	841376625	WJPBWXJYRBFUQW-CYBMUJFWSA-N	312.341	1.413	50	20	DDGD	
CCc1ccc(CCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	843650141	ZEMNEPJOOQSTAY-DOMZBBRYSA-N	304.390	1.754	50	20	DDGD	
Cc1c(C(=O)O)oc2c1C(=NNC(=O)[C@H]1CCO[C@H]1C)CCC2	842552099	AWVZRRNVXCZWIW-UWVGGRQHSA-N	320.345	1.868	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1ccc2nc(O)[nH]c2c1	745590832	ICHBVVQVOJZVCQ-UHFFFAOYSA-N	303.322	1.034	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)N1CCOCC1)O[C@@H](C)C2	745603219	XQZGZGXXRWVTPR-NSHDSACASA-N	319.361	1.394	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1C(=O)Nc2c(OC)cccc21	842521125	CRHTVMKSGLPAKZ-UHFFFAOYSA-N	318.377	1.200	50	20	DDGD	
NC(=O)COc1ccc(C=NNC(=O)c2ccccc2F)cc1	745989311	SYMUBBRINYTSQZ-UHFFFAOYSA-N	315.304	1.454	50	20	DDGD	
CC1=C(C)C[C@H](C(=O)NNc2ccccc2S(N)(=O)=O)CC1	844136305	FDIKCGDJSCXJTD-GFCCVEGCSA-N	323.418	1.914	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)CC(F)(F)F)CN1CCCC1	918080922	HGKKVGFJPNYYJJ-SECBINFHSA-N	310.320	1.001	50	20	DDGD	
CN(CC(=O)NNC(=O)C(C)(C)C)Cc1ccc2c(c1)OCO2	744384781	HTEBAHUSGMHKNL-UHFFFAOYSA-N	321.377	1.041	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)COc1ccc(Cl)c(Cl)c1	910172630	DNHYSBWEUVJQFV-MRVPVSSYSA-N	307.177	1.716	50	20	DDGD	
CO[C@H](C=NNC(=O)Nc1ccc(C(=O)O)cc1)[C@@H]1CCOC1	841626117	OAUWGRHBRIQWCR-DGCLKSJQSA-N	321.333	1.544	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)C1=CCCCCC1	842257551	OQEFYPRYLLFAEG-UHFFFAOYSA-N	309.391	1.668	50	20	DDGD	
C[C@@H](NNC(=O)CONC(=O)OC(C)(C)C)C(F)(F)F	912898846	RSQOGGQRLXAPCV-ZCFIWIBFSA-N	301.265	1.014	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1Br)c1nc[nH]n1	746194074	JETLUVKDUWMWGH-UHFFFAOYSA-N	318.081	1.602	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1ccc2c(c1)C(=O)CC2	848452598	SKUNRGAHLAOLHW-UHFFFAOYSA-N	324.402	1.561	50	20	DDGD	
Cc1noc(Cl)c1CCC(=O)NNc1ccnc(N(C)C)n1	740104947	SHUNXWPQQHGZLE-UHFFFAOYSA-N	324.772	1.568	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(F)cc1Cl)c1ncn(C)n1	922107248	TVJYTCBPDWBPSD-SSDOTTSWSA-N	312.736	1.995	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cccc3c2OCO3)cc1	747173137	RIARPEQZKJTVQE-UHFFFAOYSA-N	309.281	1.362	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1ccc(C(=O)NC2CC2)cc1	842553209	FRKGGKUODPHQJY-NHYWBVRUSA-N	315.373	1.454	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NCCNC1CC1	841929067	RJWBRHZSCZMGIK-UHFFFAOYSA-N	304.394	1.092	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccc(F)cc1	843646666	JYOYRYTUOYZXQE-YCNBAEJOSA-N	306.337	1.801	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](C)CN2CCC(C)CC2)nn1	852605177	SHBNGCIVUDPFEQ-ZDUSSCGKSA-N	306.414	1.532	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNc2nc(-c3cccnc3)no2)[C@H]1C	859314868	AVSMXXUUCXTTHX-GUDRVLHUSA-N	317.349	1.634	50	20	DDGD	
Cc1ncc2n1C[C@H](C(=O)NNC(=S)NCC1CCC1)CC2	855090536	YTMCLDVIGQNAMJ-GFCCVEGCSA-N	321.450	1.049	50	20	DDGD	
Cc1ccccc1C[C@H](C)C(=O)NNC(=O)Cc1cc[nH]n1	859251675	BIYOOLUSLRSBCC-LBPRGKRZSA-N	300.362	1.287	50	20	DDGD	
COCC(=NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C)C(C)C	853376221	IHHIPZIOFOEDQC-IUODEOHRSA-N	322.409	1.662	50	20	DDGD	
O=C(NC[C@H]1CCC[C@H]1C1CC1)NNC(=O)c1cccc(F)n1	852380116	JITMXXMZIZSZEG-NEPJUHHUSA-N	320.368	1.991	50	20	DDGD	
CN(C(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)[C@@H]1COC[C@H]1O	923841161	VGZVFZGXODZUHC-FTEPDLOASA-N	318.211	1.158	50	20	DDGD	
Cc1noc(C(F)F)c1C(=O)NNC(=O)OCC(F)(F)F	856021418	OHJSPBHWZMERHG-UHFFFAOYSA-N	317.170	1.854	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc2c(c(OC)c1)O[C@H](C)C2	920766620	NFBKOTYGBNSOKN-SNVBAGLBSA-N	321.377	1.763	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@H](O)C2CCC2)C[C@@H]1Br	856961168	WOGIPFPHRJDXRE-JBLDHEPKSA-N	305.216	1.620	50	20	DDGD	
CC(C)c1cccc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)c1	853285544	WNTWCWRWBHQYMH-AWEZNQCLSA-N	308.403	1.695	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccccc2F)ccc1O	756775016	LIROTMDXRTVNKD-UHFFFAOYSA-N	304.277	1.615	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)c2cc(C)[nH]n2)C[C@@H]1C	758119692	UACAPLOTFCFANB-JOYOIKCWSA-N	306.366	1.803	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)COc2cccc(C)c2)nc1	759738775	QJGTWADCEDXUGV-UHFFFAOYSA-N	315.329	1.699	50	20	DDGD	
COCc1cc(C=NNC(=O)CCCNC(=O)C(C)(C)C)no1	853408515	SOCKMJNCSDEQRX-UHFFFAOYSA-N	324.381	1.214	50	20	DDGD	
C[C@@H](CC(N)=O)C(=O)NNc1nc2ccc(Cl)cc2s1	856234771	HFSSFLAEBQZCMV-LURJTMIESA-N	312.782	1.904	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](NC(=O)NNc2c(F)cc(F)cc2F)C1	922902698	HUZBALTZVBNLLT-WRXNHJIOSA-N	317.267	1.682	50	20	DDGD	
C#C[C@H](CC)NC(=O)NNC(=O)COc1cc(C)ccc1C	854068013	GYZZBJYOPXOMMG-CYBMUJFWSA-N	303.362	1.424	50	20	DDGD	
O=C(NCc1ccco1)NN=Cc1ccc(-n2cncn2)cc1	920828877	GTYILSNEGXXBGW-UHFFFAOYSA-N	310.317	1.694	50	20	DDGD	
Cc1ncc(CNC(=O)NNC(=O)c2ccccc2C)s1	920044369	SZERBXUFPLYZJI-UHFFFAOYSA-N	304.375	1.904	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C(C)(C)SC	856724715	UMSHAFPXURZDQJ-UHFFFAOYSA-N	310.419	1.917	50	20	DDGD	
CO[C@H](C=NNC(=O)c1cc(Br)c[nH]1)C1CC1	853284027	MNWNGJHOAADRFL-SNVBAGLBSA-N	300.156	1.918	50	20	DDGD	
CCc1nn(C)cc1NC(=O)C(=O)NNc1cc(F)ccc1C	850585814	AVFQFZZJAKGONY-UHFFFAOYSA-N	319.340	1.512	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ncc(C)cc1C	854283703	HHXXVXVFICCLBY-UHFFFAOYSA-N	310.423	1.186	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNc2nc(-c3cccnc3)no2)[C@@H]1C	859314869	AVSMXXUUCXTTHX-KLBPJQLPSA-N	317.349	1.634	50	20	DDGD	
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NNC(=O)C(C)(C)C	755249770	MKLWLDBPAKKWEI-VIFPVBQESA-N	316.402	1.276	50	20	DDGD	
O=C(NN=Cc1cc(O)cc(Br)c1O)c1ccc[nH]1	755609692	WYOXBSABBXSNNH-UHFFFAOYSA-N	324.134	1.952	50	20	DDGD	
COc1cccc([C@@H](OC)C(=O)NNC(=O)OC(C)(C)C)c1	854162305	CUFJSRPGTPKTHN-GFCCVEGCSA-N	310.350	1.939	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)c2ccc(OC)c(OC)c2)CC1	752029503	NZGIPYWZZZTSJJ-UHFFFAOYSA-N	321.377	1.838	50	20	DDGD	
CCn1ccc(NC(=O)C(=O)NNc2cc(C)ccc2C)n1	850421946	ACCHMYDYWXQPRL-UHFFFAOYSA-N	301.350	1.602	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NC[C@@]1(C)C[C@@H]1Br	857384949	CILAKDQUTUZTAM-JOYOIKCWSA-N	305.216	1.438	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cc(C2CC2)nn1C	935680819	PMUGVCVEVPQDCC-UHFFFAOYSA-N	300.366	1.968	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cn2c(n1)CCCC2	863098290	BIRLLAODPIQIHI-UHFFFAOYSA-N	312.242	1.651	50	20	DDGD	
CC(CCCCO)=NNC(=O)C(=O)Nc1ccc(C)c(C)c1	766690577	OWQCMJKGRVATNB-UHFFFAOYSA-N	305.378	1.897	50	20	DDGD	
CC1(C)CCc2cc(C=NNC(=O)CS(C)(=O)=O)ccc2O1	863188509	WWDTVQCSUSSTEZ-UHFFFAOYSA-N	324.402	1.285	50	20	DDGD	
Cn1cc(C(=O)NNc2ncc(F)cn2)c2ccccc2c1=O	760487816	RCGAOARLRREDEV-UHFFFAOYSA-N	313.292	1.225	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1cc2cc(C)ccc2s1	869904220	SMAGEFKAJREAHK-UHFFFAOYSA-N	322.386	1.634	50	20	DDGD	
O=C(CCCOc1ccc2c(c1)OCO2)NNc1cccnn1	768135167	QCFBKZJCBZYBKM-UHFFFAOYSA-N	316.317	1.508	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=Cc1cnc(C2CC2)o1	863097244	HRCVRHZLBPPDID-UHFFFAOYSA-N	309.329	1.893	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1ccnc2ccnn12	861703573	PHSVWPPHGOYISW-UHFFFAOYSA-N	309.333	1.544	50	20	DDGD	
OB(O)c1cccc(CNCCCSc2nccs2)c1	863888580	REAYHDSNNOOWCK-UHFFFAOYSA-N	308.237	1.095	50	20	DDGD	
CC(=O)NCCCCCC(=O)NNCC(F)(F)C(F)(F)F	863092974	RLXDCNUKLLXGDI-UHFFFAOYSA-N	319.274	1.501	50	20	DDGD	
CCc1ccc(-c2cc(C(=O)NNC(=O)[C@H](C)C#N)n[nH]2)cc1	768267902	HFDOZGSLFCDJKR-SNVBAGLBSA-N	311.345	1.560	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@H]1CCCN1C(C)C	936036428	PQEJIYVMZGEWLD-CQSZACIVSA-N	319.405	1.258	50	20	DDGD	
O=C(NCc1ccco1)NN=Cc1cnc(C2OCCO2)s1	761798550	ALJYQBXAPMDJIF-UHFFFAOYSA-N	322.346	1.615	50	20	DDGD	
COc1ccc(NNC(=O)c2cn(C)c(=O)c3ccccc23)nc1	760538016	ZNIOBFLBZKSACB-UHFFFAOYSA-N	324.340	1.699	50	20	DDGD	
CCOC(=O)N1CSC[C@H]1C(=O)NNc1cccc(F)c1	935021183	RCLHVARKSUSLLS-NSHDSACASA-N	313.354	1.800	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC1C[C@H](C)O[C@@H](C)C1	767187161	KJNIWIOLUNGIKA-RYUDHWBXSA-N	305.378	1.895	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC[C@@H](N2CCOC2=O)C1	867509420	UCBZNLWDOAZXQW-SNVBAGLBSA-N	324.830	1.108	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2ccc(N3CCCCC3)cc2)N1	863146103	PBCHHDYINOUYEI-OAHLLOKOSA-N	314.389	1.406	50	20	DDGD	
CC[C@]1(C(=O)NNc2ccc(Cl)c(OC)c2)CCNC1=O	867906636	TZQDKUGIFWLMLE-AWEZNQCLSA-N	311.769	1.708	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CCc2cn[nH]c2)cc1	863927170	CJJCFKRYJGJNDR-UHFFFAOYSA-N	302.334	1.201	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)C1(C#N)CCC1	873768591	CRMSULSSXALDKH-UHFFFAOYSA-N	304.375	1.707	50	20	DDGD	
Cc1cccc(NNC(=O)NCCc2ccc3c(c2)OCO3)n1	875019476	VSJYMQHJEBPQLJ-UHFFFAOYSA-N	314.345	1.988	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C1(CN(C)C)CC1	873803225	YEEMDQPONWDOBX-NSHDSACASA-N	323.368	1.082	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H](O)c1ccc(C(F)(F)F)cc1	874247372	RIXUPOYJJMNVED-SNVBAGLBSA-N	319.283	1.478	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)CSc1ccc(C)cc1)C(C)C	770221954	YRCQMRRRAKGZKF-AWEZNQCLSA-N	310.419	1.906	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(C(=O)OC)cc1F	772407307	OMHVXAFTPMAQAQ-UHFFFAOYSA-N	311.313	1.356	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CC[C@@H](C)SC)c1O	773294016	WWYOKSQMPDSKTH-SECBINFHSA-N	312.391	1.694	50	20	DDGD	
CC(C(=O)NNC(=O)c1n[nH]c2c1CCCC2)=C1CCCC1	1116229521	IMEAKALMVLHBJJ-UHFFFAOYSA-N	302.378	1.940	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)NNc1nc2ccccc2cc1C	777482004	QVYXXTMZWIARSW-UHFFFAOYSA-N	300.362	1.901	50	20	DDGD	
COc1cc(Cl)ccc1NC(=O)C(=O)NNC(=O)C(C)C	773494676	WRZXONUHGGPXLF-UHFFFAOYSA-N	313.741	1.091	50	20	DDGD	
C[C@@]1(CNC(=O)N[C@H]2C[C@H](C(=O)O)C2)C[C@@H]1Br	874408030	MAQIIRAXVRVOTQ-UGYAYLCHSA-N	305.172	1.322	50	20	DDGD	
COCCOCC(=O)NN=Cc1cc2cc(OC)ccc2o1	872401004	BYKAKSPYQRDHCH-UHFFFAOYSA-N	306.318	1.555	50	20	DDGD	
COC[C@H](NC(=O)NN(C)C(=O)OC)c1ccc(F)c(F)c1	875457502	WDWJODSOUXQVLL-NSHDSACASA-N	317.292	1.565	50	20	DDGD	
Cc1cc(=NNC(=O)NCCCN(C(C)C)C(C)C)cc[nH]1	875332442	CKKJXQLUYQHNLW-UHFFFAOYSA-N	307.442	1.947	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C\c1cccc(F)c1	771892048	PYENAFDVTBZUKB-GQYWMQPJSA-N	308.309	1.328	50	20	DDGD	
Cc1onc(CC(=O)NNc2cc(F)c(F)c(F)c2)c1C#N	779534280	OKYWXHCHNMIUMM-UHFFFAOYSA-N	310.235	1.958	50	20	DDGD	
COc1nn(C)cc1C(=O)NNc1cc(C(F)(F)F)ccn1	883971044	NSISCXHUIRWBRM-UHFFFAOYSA-N	315.255	1.599	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(Cl)c(Cl)[nH]1	771970298	KPBYSUNLXXKYKQ-YFKPBYRVSA-N	322.148	1.424	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1	775528771	CTWZERHTDXWSEV-UHFFFAOYSA-N	300.274	1.677	50	20	DDGD	
COc1cc(C=NNC(=O)CO)c(-c2ccccc2)cc1OC	776777819	OWMQLVPOXWJLLS-UHFFFAOYSA-N	314.341	1.813	50	20	DDGD	
COc1ccc(NNC(=O)Nc2c3c(nn2C)CCCC3)nc1	880621105	YOOWANQBXXAPHA-UHFFFAOYSA-N	316.365	1.851	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(OC2CC2)cc1OC	887148374	ZGWBVBIIORVAFC-UHFFFAOYSA-N	316.357	1.801	50	20	DDGD	
CC1(C)[C@H](NC(=O)NNc2ccc(C#N)cn2)[C@H]2CCO[C@H]21	888355039	JDNRJABEPXJFGU-RAIGVLPGSA-N	301.350	1.393	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)Nc1ccnn1CC1CC1	776030486	HUUVDAMRRGOTDV-UHFFFAOYSA-N	317.324	1.899	50	20	DDGD	
C#CCSCC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	887668148	LXDIZSKBDLQGNP-JTQLQIEISA-N	310.350	1.107	50	20	DDGD	
CCN(CC)CC(=O)NNc1ccnc(Br)c1	771537528	NNRGWUFNJGWDMC-UHFFFAOYSA-N	301.188	1.629	50	20	DDGD	
C[C@]1(NCC(=O)NNC(=O)c2cccs2)CCO[C@H]1C1CC1	784592548	HRTTYWOFLAMFOI-ZFWWWQNUSA-N	323.418	1.056	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCCN(c2ncccc2F)CC1	784758558	HMCRSOKULDFFDJ-SEYXRHQNSA-N	318.352	1.703	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2ccc3c(c2)ncn3C)c1	783934739	YDBUQVUSDQUFJX-UHFFFAOYSA-N	324.344	1.359	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)c2ccc(O)cc2)c1	782833001	WRPFQTKYGIABEJ-UHFFFAOYSA-N	313.313	1.100	50	20	DDGD	
O=C1CCCC[C@@H]1[C@H]1COCCN1S(=O)(=O)CCCCl	882065659	LFLKIBAXPWUXPQ-VXGBXAGGSA-N	323.842	1.405	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)c1cccnn1)c1ccccc1	883075207	UWMVENIYZMYIIN-GFCCVEGCSA-N	313.361	1.614	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)n1cc(-c2ccsc2)nn1	881291381	OVLJWGBSIWFMDG-SNVBAGLBSA-N	321.406	1.761	50	20	DDGD	
CCC(=NNC(=O)c1nn(C)c(=O)c2ccccc12)c1cn[nH]c1	788968654	XCCNBQJGSSXJTF-UHFFFAOYSA-N	324.344	1.201	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(-c3n[nH]c(C)n3)cc2)n1	780769677	REUYBGNZPMPLKB-UHFFFAOYSA-N	324.344	1.941	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCO[C@@H]2COCC[C@@H]21	888780840	MNNINLICJLWYGC-FKZVYCBESA-N	314.341	1.315	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1c[nH]nc1-c1ccsc1	780470606	VYQBQDZQUGXXNN-UHFFFAOYSA-N	307.379	1.882	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H]1CCC(=O)c2cccn21)C1CC1	788753627	BFEQJOLLGHNWOH-JOYOIKCWSA-N	320.418	1.300	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2)C1	787133678	KTRPEJIKKHFMGC-ZJUUUORDSA-N	306.322	1.330	50	20	DDGD	
C[C@@H]1CCc2[nH]nc(C(=O)NNC(=O)NC3CCCCC3)c2C1	899939753	ARBDOSQJLIIMIM-SNVBAGLBSA-N	319.409	1.811	50	20	DDGD	
CCOC(=O)C[C@H](C)CNC(=O)NNc1ncncc1Cl	781012665	DZHMVZVZSSFHEL-QMMMGPOBSA-N	315.761	1.345	50	20	DDGD	
O=C(CNc1ccccc1)NN=C1CC(=O)N2CCCC[C@@H]12	799467269	JGEZFEQUYLYCOU-AWEZNQCLSA-N	300.362	1.356	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Nc2cccc3c2CCO3)c1	797670461	FKDBBUZIPVKTRS-UHFFFAOYSA-N	322.324	1.960	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](C)CCC(=O)OC(C)C)nn1	792304522	OZFIRYRYFYMANM-SNVBAGLBSA-N	309.370	1.531	50	20	DDGD	
COC[C@H]1CN(S(=O)(=O)c2ccc(CCl)cc2)CCO1	705850366	ILZXIVAZKPFYDQ-GFCCVEGCSA-N	319.810	1.461	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@@H]1CCN(CC(F)(F)F)C1	792450892	KSDAAZKWBREBGE-SSDOTTSWSA-N	323.706	1.457	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2ccc3c(c2)CCO3)n1	797612788	KIPFBLODUOEHQZ-UHFFFAOYSA-N	312.329	1.791	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)c1cnn(-c2ccccc2)c1)C1CC1	791591052	VTMCCTDLLOEYQC-AWEZNQCLSA-N	314.345	1.058	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CCC[C@@H](c2cccnc2)C1	799871886	ILPZBMBWWWHRKU-GFCCVEGCSA-N	302.378	1.736	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CCC3(CN(C)C3)C2)cc(C#N)n1C	791249117	NIAPZEVNXRRJCA-GIDUJCDVSA-N	323.400	1.276	50	20	DDGD	
CCOC(=O)[C@@H](NNC(=O)COC)c1cccc(Cl)c1	790534538	QJOCHAQFAGYJBY-LBPRGKRZSA-N	300.742	1.211	50	20	DDGD	
CSCCC=NNC(=O)Cn1nnc(-c2ccccc2)n1	793326194	WRCFWZJRDOHTDO-UHFFFAOYSA-N	304.379	1.195	50	20	DDGD	
CCCN1CCCC[C@H]1C(=O)NNc1nncc(N)c1Cl	1319406131	OWDSPWDDSOCVOK-JTQLQIEISA-N	312.805	1.420	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C[C@H]1C(=O)Nc2ccccc21	1318223104	GHWHMGRSALFNBQ-SNVBAGLBSA-N	306.391	1.016	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N2CCOCC2)cc1CC	1319813358	YKZLWUSGFYKSJN-UHFFFAOYSA-N	305.378	1.498	50	20	DDGD	
COCC(=O)NCCC(=O)NNc1cccc(Cl)c1Cl	1324679543	VVFVBTVCLFYYRL-UHFFFAOYSA-N	320.176	1.589	50	20	DDGD	
CCCCOc1ccc(NC(=O)NNC(=O)CCO)c(C)c1	1320346810	GVEYLPAIBYDPOC-UHFFFAOYSA-N	309.366	1.709	50	20	DDGD	
COc1ccc(C(=O)NN[C@@H](C(N)=O)c2ccc(F)cc2)cc1	1325888248	AABUZSXRKVPING-CQSZACIVSA-N	317.320	1.295	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccc(O)cc2O)o1	1320792500	AESMYEGZTITQIU-UHFFFAOYSA-N	302.290	1.838	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)c1cccc2cccnc12)C1CC1	1328818310	FFKUOQDDUIAXDG-OAHLLOKOSA-N	313.357	1.811	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@H](C1CCCCC1)C1CCC1	1328160204	IIHUFXHKLAUMGI-GFCCVEGCSA-N	311.382	1.239	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H](C)[C@@H]2CCOC2)cc1	1325106759	FTPUBNQLTJUKRT-CMPLNLGQSA-N	307.350	1.064	50	20	DDGD	
Cc1cn(CC(=O)NNC(=O)Cc2cc[nH]n2)c2ccccc12	1323829146	HFGDJUOCVPOOJN-UHFFFAOYSA-N	311.345	1.063	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1csc(C#N)c1	1324720744	WHOWWWHFLQMIJO-VIFPVBQESA-N	323.374	1.359	50	20	DDGD	
CN(C)[C@@H]1CCCC[C@@H]1NC(=O)NNc1nc2ccccn2n1	1321828208	BDWLYWXMVGEUTM-NWDGAFQWSA-N	317.397	1.228	50	20	DDGD	
O=C(NCCCC(F)F)NNc1ncc(Br)cn1	1332349063	VWCQKTZZMOLBDW-UHFFFAOYSA-N	324.129	1.911	50	20	DDGD	
CC(C)c1ncc(C(=O)NNC(=O)COc2ccccc2F)[nH]1	1339432555	SQZXWDBQSYHLIU-UHFFFAOYSA-N	320.324	1.512	50	20	DDGD	
O=C(CNC(=O)c1cc(Cl)ccn1)NCC(Cl)Cl	1261552010	CQIPYBIZZMFSDH-UHFFFAOYSA-N	310.568	1.385	50	20	DDGD	
O=C(CSC1CC1)NNC(=O)c1cncn1-c1ccccc1	1261252850	AWFLHZMUUZLBJT-UHFFFAOYSA-N	316.386	1.529	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H]2CCCCN2C(=O)CC(C)C)cc[nH]1	1347341884	AQWVJXCSRMBUBH-OAHLLOKOSA-N	318.421	1.682	50	20	DDGD	
O=C(NCCn1cc([N+](=O)[O-])cn1)C1CCC(Cl)CC1	1263769419	YGDNEHDUWZKMCU-UHFFFAOYSA-N	300.746	1.705	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H]1CCCCN1C(=O)CC(C)C	1350968189	GXCDWVAJPCYTCW-GFCCVEGCSA-N	312.414	1.154	50	20	DDGD	
C[C@@H]1CN2CCN1C[C@H]2C(=O)NNc1ccc(Cl)c(F)c1	1528046477	NGWFPQYTYAXZBL-RNCFNFMXSA-N	312.776	1.311	50	20	DDGD	
CC(C)c1nccn1CC(=O)NNc1ccc(F)c(C(=O)O)c1	1604020045	DFWJBMPQOKCISO-UHFFFAOYSA-N	320.324	1.987	50	20	DDGD	
O=C(O)CCc1cccc(NC(=O)NNC(=O)c2ccc[nH]2)c1	1602041523	DMIFEIIVGZLHFG-UHFFFAOYSA-N	316.317	1.498	50	20	DDGD	
Cc1c(NC(=O)NNc2ccncn2)ccc(F)c1C(=O)O	1607546205	DIFGSRWYYSSSPU-UHFFFAOYSA-N	305.269	1.771	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1ccc(C(=O)O)cc1	1601371378	JKZODECHDOBBPX-UHFFFAOYSA-N	314.301	1.175	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@H]2C[C@@H](C(=O)O)C2)cc1	1606055000	ICQVIHRJLWEIGM-AOOOYVTPSA-N	320.349	1.016	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccn(-c3ccccc3)n2)nc1	1608904895	OEXSVISSNYKQKV-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)C12CC(C(=O)O)(C1)C2	1601270785	ZQTFJQKETPDLGX-UHFFFAOYSA-N	316.357	1.412	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)C(=O)O)cc1	1610040998	NTUZCWDCNZRUED-ZDIKFAODSA-N	317.297	1.578	50	20	DDGD	
O=S(=O)(CCCCCl)Nc1cnn(C[C@H]2CCCO2)c1	228331121	NAHNWAQHULPGAU-GFCCVEGCSA-N	321.830	1.823	50	20	DDGD	
CN(NC(=O)c1coc(/C=C/C(=O)O)c1)C(=O)OC(C)(C)C	1574023000	SMYXBBVXSUALNL-AATRIKPKSA-N	310.306	1.889	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@@]2(C)CCCNC2)cc1	1579735677	YZEAPQFZVQYLJW-INIZCTEOSA-N	321.446	1.624	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNc1cccc(-c2nn[nH]n2)c1	1588377541	ZJTXLQVBEQPKAE-UHFFFAOYSA-N	318.340	1.534	50	20	DDGD	
C=C(CBr)COC(=O)c1cc(C(=O)O)ccn1	1588605666	MKHJXFAHPSQJKC-UHFFFAOYSA-N	300.108	1.888	50	20	DDGD	
CC(=O)C[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1846326651	ICSLYACOXYNXDA-MWLCHTKSSA-N	318.776	1.339	50	20	DDGD	
N#CCCCC[C@H](N)C(=O)NNc1ccc(-c2ccccc2)nn1	1580051065	ZFHRHGPVGJERCX-AWEZNQCLSA-N	324.388	1.998	50	20	DDGD	
O=C(NNc1cccc(F)c1Cl)c1ccc(-c2nn[nH]n2)[nH]1	1593167488	MINRUPKPGKGSCU-UHFFFAOYSA-N	321.703	1.744	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)COC)C1	1841663744	KIAZOPZOYUCWGG-NWDGAFQWSA-N	316.829	1.490	50	20	DDGD	
COc1cc(C(=O)NNc2ccccn2)ccc1-c1nn[nH]n1	1591515819	PKGCEXNUZNSNJA-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@H]2CC(=O)O)C[C@H]1Br	1594018078	VIMKLUNPLYOBFI-YGOYTEALSA-N	319.199	1.809	50	20	DDGD	
COc1ccc(OCC(=O)NNc2ccc(C(=O)O)cn2)cc1	1599604487	MXDRNIJLJGKIIN-UHFFFAOYSA-N	317.301	1.311	50	20	DDGD	
C[C@H]1[C@H](C(=O)O)CCN1S(=O)(=O)c1ccc(CCl)cc1	1594170421	DJAOMUUJCVJMHZ-JOYOIKCWSA-N	317.794	1.909	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@@H]1CCCc2n[nH]cc21	1595262048	OVZVGEXCCOVRAF-MRVPVSSYSA-N	301.306	1.066	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC[C@H]1C(=O)O)c1cc2ccccc2o1	1594782995	QUBYPXVZGZWQJY-VHSXEESVSA-N	302.286	1.305	50	20	DDGD	
O=C(O)Cn1cccc1C=NNC(=O)c1ccc(Cl)cc1	1595158834	XAYRHEYLIIZAAV-UHFFFAOYSA-N	305.721	1.990	50	20	DDGD	
Cn1c(C=NNC(=O)Nc2ccc(C(=O)O)cc2)cnc1Cl	1776045772	KFMBWNODOQPUGQ-UHFFFAOYSA-N	321.724	1.927	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NN=Cc1c[nH]c2c(C(=O)O)cccc12	1776102225	KGVBTKQLQVASPM-OLZOCXBDSA-N	315.329	1.741	50	20	DDGD	
C[C@H]1CC(=O)CC[C@@H]1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	158832096	CMJZQRNZXUDKEZ-ZANVPECISA-N	319.317	1.361	50	20	DDGD	
N#CC1(C(=O)NNC(=O)c2cc(-c3cccs3)n[nH]2)CCC1	151091199	VRSCPRCYRJUBGJ-UHFFFAOYSA-N	315.358	1.593	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)Cn2nnc3ccccc3c2=O)c1	153042507	JJAXGWMZSXNOKZ-UHFFFAOYSA-N	323.356	1.552	50	20	DDGD	
C[C@@H](NC(=O)c1cccs1)C(=O)NNc1ccc(C#N)cc1	155562079	QOHZQWQFMJEETJ-SNVBAGLBSA-N	314.370	1.881	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C/c1cccc(-n2cccn2)c1	155172688	BNWHZSVUYMJNFM-NCPSJORJSA-N	310.357	1.930	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)CCCc2cccs2)nn1	154362136	NVLQWVWEFHXSIZ-UHFFFAOYSA-N	305.363	1.103	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCCc1cc(OC)ccc1OC	159134668	WFGWVFBCYNXXED-QBFSEMIESA-N	304.346	1.806	50	20	DDGD	
COCC1CN(S(=O)(=O)c2ccc(CCCl)cc2)C1	918939280	KQYJNPCITIKVDQ-UHFFFAOYSA-N	303.811	1.735	50	20	DDGD	
CC(C)c1ccccc1OCC(=O)NNC(=O)c1ccc[nH]1	6991347	YLEHCMOSFGTLTR-UHFFFAOYSA-N	301.346	1.978	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc3ncccc23)c(=O)[nH]1	106813186	QJPWYDBZRYNDEA-UHFFFAOYSA-N	322.324	1.306	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(C[C@@H](C)O)c1ccccc1	109835996	BWEFBJQXHHQXHT-KGLIPLIRSA-N	321.421	1.456	50	20	DDGD	
CCc1ncc(C(=O)NNC(=O)CNc2ccc(C)cc2)s1	102890828	CPYRIBBTPBGFBR-UHFFFAOYSA-N	318.402	1.887	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cn[nH]c2C)c1C	67986279	IGAYPSYAAMUNCI-LBPRGKRZSA-N	316.361	1.563	50	20	DDGD	
Cc1cc(F)ccc1-n1cc(C(=O)NNC(=O)C(C)(C)C)nn1	179327169	ZVEPMSLQDPVJDI-UHFFFAOYSA-N	319.340	1.522	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1nccn1CC(F)(F)F	171114651	QXNZYKRGLRRXIM-JXMROGBWSA-N	316.283	1.505	50	20	DDGD	
Cc1noc(C)c1CCC(=O)NNC(=O)c1ccccc1O	28641126	UCVPZDCESBPFGJ-UHFFFAOYSA-N	303.318	1.391	50	20	DDGD	
CCc1nnsc1C(=O)NNC(=O)CCOc1ccccc1	61478579	WDDKIEYWIQHTEV-UHFFFAOYSA-N	320.374	1.331	50	20	DDGD	
C[C@@H]1CCc2[nH]c3ccc(C(=O)NN(C)C(N)=O)cc3c2C1	182647460	RHSAWBIFDALMEK-SECBINFHSA-N	300.362	1.948	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=O)COc1ccccc1CC	186361514	RSBYRFUJRGCTLD-UHFFFAOYSA-N	302.374	1.825	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2ccncc2)c(F)cc1F	176560018	MVMJQISOTCMKMJ-UHFFFAOYSA-N	305.284	1.672	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cc(C)n(C)n2)cc1	28580125	ZXLMUJZELGRVQQ-UHFFFAOYSA-N	303.322	1.204	50	20	DDGD	
CC(=O)N[C@H](C)C(=O)NNc1cccc(Br)c1	119269061	YFCZLTSGHXKUBL-SSDOTTSWSA-N	300.156	1.417	50	20	DDGD	
O=C1CCc2cc(C(=O)NNc3nccnc3Cl)ccc2N1	114897055	VCIOZHHVBAKLAG-UHFFFAOYSA-N	317.736	1.772	50	20	DDGD	
CC(=O)N[C@H](CC(=O)NNc1cnccn1)c1ccc(C)cc1	114880722	FQRFCDFSJQSLAX-CQSZACIVSA-N	313.361	1.496	50	20	DDGD	
CC1(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CCCC1	302168150	CTICWTVBWTYHKE-ZDUSSCGKSA-N	304.346	1.554	50	20	DDGD	
CCCOCC(=O)NNC(=O)Cc1cccc2ccccc12	65541440	HAWYSDJSNOXNKE-UHFFFAOYSA-N	300.358	1.956	50	20	DDGD	
COc1cc(C)nc(NNC(=O)/C=C/c2cncc(F)c2)n1	174482939	VNUSCTOIAPHNBQ-ONEGZZNKSA-N	303.297	1.484	50	20	DDGD	
Cc1ncncc1C(=O)NNc1ccc(-c2ccccc2)nn1	127975729	ZBPVTOTXZSFOQY-UHFFFAOYSA-N	306.329	1.999	50	20	DDGD	
CC[C@H]1CN(S(=O)(=O)CBr)[C@H](CC)CO1	403887872	PYSIQCOCNUBTBW-BDAKNGLRSA-N	300.218	1.558	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@@H]1CCN(CC2CC2)C1	76943290	NXUHIAQOZTXYNB-CQSZACIVSA-N	302.378	1.115	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=O)CC2CCCC2)cc1	78530308	LJQBVMZLVBPMOU-UHFFFAOYSA-N	303.362	1.986	50	20	DDGD	
Cc1c(C(=O)NNC(=O)Cc2ccc3ccccc3c2)cnn1C	121621436	UNQRRKLCQKZVDM-UHFFFAOYSA-N	322.368	1.885	50	20	DDGD	
Cc1ccc(NNC(=O)c2coc(S(=O)(=O)N(C)C)c2)cc1	129782678	GUGBQKWKZXUTRY-UHFFFAOYSA-N	323.374	1.595	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)CC[C@H]1CCCO1	73687173	WYMCVHLQJJLXBB-CQSZACIVSA-N	320.389	1.734	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(N2CCCC2=O)cc1	77218814	PAICJQSZHUQEEE-UHFFFAOYSA-N	303.362	1.621	50	20	DDGD	
CC/C(=C\C(=O)NNC(=O)Cc1cc[nH]n1)c1ccc(C)cc1	186146476	FVXWJMQDCVKWDX-JLHYYAGUSA-N	312.373	1.902	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1ccccc1Cl	79217075	HZAOKJGPKVUMQV-SKDRFNHKSA-N	311.769	1.910	50	20	DDGD	
CC(C)C(=O)NCCNC(=O)/C(C#N)=C\c1ccc(O)cc1	188426782	HZWPXAUTZICQMO-LCYFTJDESA-N	301.346	1.188	50	20	DDGD	
CC(C)Oc1cccc(C(=O)NNc2nc3ccccn3n2)n1	191918124	YNMLDMJPSDMFFX-UHFFFAOYSA-N	312.333	1.668	50	20	DDGD	
Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)NN	192713790	UPUVIRRZXTXENP-UHFFFAOYSA-N	323.349	1.538	50	20	DDGD	
C[C@H](O)C(=O)NNC(=O)c1ccc(COc2ccccc2)o1	136115611	AWZUJVSTXOTLDU-JTQLQIEISA-N	304.302	1.000	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)C[C@H]1CCCCO1	86990443	ONITZPRPTJYLMV-CYBMUJFWSA-N	310.325	1.311	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc(N)c([N+](=O)[O-])c1	45293640	BGTKXGVQJQQMTP-UHFFFAOYSA-N	314.301	1.560	50	20	DDGD	
O=C(Cc1ccc(F)cc1F)NNc1nc2ccccn2n1	191886628	JSRKRXHKWOSASO-UHFFFAOYSA-N	303.272	1.693	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NC[C@@H]1CCN(C2CC2)C1	194352194	PYNGGNGTLQFLCM-AHSSXEFNSA-N	311.385	1.900	50	20	DDGD	
CN(C)C(=O)N1CCC(C(=O)NNC(=O)CC2CCCC2)CC1	195210496	LDSVVGNEEAOASB-UHFFFAOYSA-N	324.425	1.108	50	20	DDGD	
CN(C)CCn1ccc(NC(=O)NNc2ccc(F)cc2)n1	92765557	PIGGPQRZIGUMFB-UHFFFAOYSA-N	306.345	1.732	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNC(=O)c1ccc(Cl)cc1OC	98097385	BGHYZKZBDWYLDO-NSHDSACASA-N	314.769	1.925	50	20	DDGD	
Cc1ccccc1C(=O)NN=Cc1ccc(OCC(N)=O)cc1	254905905	MXDGTMHAUWGFCS-UHFFFAOYSA-N	311.341	1.623	50	20	DDGD	
COc1cccc([C@H](C)NC(=O)NNC(=O)c2cnn(C)c2)c1	265429891	RPBBARRNXMCMCJ-JTQLQIEISA-N	317.349	1.134	50	20	DDGD	
CO[C@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccccc1C	266576025	LFCGPEQZWDKBML-KGLIPLIRSA-N	305.378	1.897	50	20	DDGD	
CCOc1cc(CNC(=O)NNC(=O)CC(C)C)ccc1OC	265145034	NAKLFVGGOKNIDA-UHFFFAOYSA-N	323.393	1.970	50	20	DDGD	
Cc1c(NNC(=O)NCCn2ccnc2C)cccc1[N+](=O)[O-]	263964478	JYFBKPSTANNABZ-UHFFFAOYSA-N	318.337	1.734	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1NC(=O)NNc1nc(O)c2cnn(C)c2n1	269288464	CNQHHQLJECYNSD-SCZZXKLOSA-N	319.369	1.274	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1cc(Cl)c2c(c1)C[C@@H](C)O2	265450641	OGMXCCBDWRFWNI-ZCFIWIBFSA-N	320.754	1.213	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)[C@H]1COc2ccccc2O1	269496793	PYCWUCIHFYHFKO-VXGBXAGGSA-N	310.375	1.115	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H](C)N2CCCCCC2)n1	279741042	ATFLYKPJIVLAAI-CYBMUJFWSA-N	304.394	1.416	50	20	DDGD	
CCOC(=O)[C@H](CC)SCC(=O)NNC(=O)c1ccccc1	279922336	KSTJQVAZBXHQMS-LBPRGKRZSA-N	324.402	1.523	50	20	DDGD	
CCCN(NC(=O)[C@H]1CN(CC)CCO1)C(=O)OC(C)(C)C	367836062	MIWSXFWCBKHAQY-GFCCVEGCSA-N	315.414	1.385	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NC1CC(F)(F)C1	277617189	JQGZQIQBYSFAMR-UHFFFAOYSA-N	313.304	1.331	50	20	DDGD	
COCCCCC(=O)NNC(=O)CSc1ccccc1O	270734731	VPEBTYMPPHLBOG-UHFFFAOYSA-N	312.391	1.448	50	20	DDGD	
CC(C)[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2O)CCO1	271779946	JVPZKQBEZSMOCE-RISCZKNCSA-N	321.377	1.540	50	20	DDGD	
N#CC1=CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccco2)CC1	270960733	QYAVGLDVQPHACL-CQSZACIVSA-N	313.357	1.957	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1nnc(-c2ccsc2)s1	274086136	MMMZCCDGOWLDPI-UHFFFAOYSA-N	309.376	1.829	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)[C@H](C)C2(C)C)n1	279868385	VWMIYFOBLFEOSW-RYUDHWBXSA-N	317.389	1.792	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NNC(=O)c1cccc(C)n1	280594422	BQTDMQIWQZKEIW-GXTWGEPZSA-N	318.377	1.315	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccnc(NC(=O)C2CC2)c1	285022111	IABICBCHQROVBW-UHFFFAOYSA-N	320.349	1.600	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNC(=O)Nc1cccc(Cl)c1	283775695	QHLYGDNDNADMFO-SNVBAGLBSA-N	317.798	1.607	50	20	DDGD	
CSSCCNC(=O)Cn1nnc(-c2ccccc2)n1	284199800	TWERXCOPCZZDGW-UHFFFAOYSA-N	309.420	1.468	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)c1c(Cl)cccc1Cl)C1CC1	286015506	FLDBUPVUYRGLCE-ZDUSSCGKSA-N	317.172	1.915	50	20	DDGD	
C[C@@H](CCN(C)C)NC(=O)NNc1ccc2c(O)nccc2c1	287064860	AZAIGBXNPSBURV-NSHDSACASA-N	317.393	1.907	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)COc2ccccc2F)nn1	807949351	HPPXXQLPVKJRQB-UHFFFAOYSA-N	305.313	1.527	50	20	DDGD	
COCCN(C)NC(=O)C(=O)Nc1ccc(Cl)c(F)c1	297055171	KLWGJZSICLOTDS-UHFFFAOYSA-N	303.721	1.027	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)NCC(F)F)c1	296651009	YPTMTIMENJQPBO-UHFFFAOYSA-N	322.699	1.949	50	20	DDGD	
Cc1nn[nH]c1C(=O)NNc1nc(-c2ccccn2)nc(C)c1C	800691027	AALMSDVBDPQGLS-UHFFFAOYSA-N	324.348	1.339	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc2ccccc2c(O)n1	295706576	JFFYZFRFGDYZOE-CYBMUJFWSA-N	315.329	1.271	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)c2ccnnc2)cc1	802124359	KXQJQWYZSFJDDU-UHFFFAOYSA-N	300.322	1.009	50	20	DDGD	
Cc1nn(C)c2ncc(NC(=O)NNc3ncccc3F)cc12	806205919	DGRFDHOQVXJSHO-UHFFFAOYSA-N	315.312	1.959	50	20	DDGD	
COCCC(=O)NNc1cc([N+](=O)[O-])ccc1Br	800617213	ABNPMYAZJNFCCD-UHFFFAOYSA-N	318.127	1.837	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Nc2ccccc2)c(O)c1	801985939	OSUPVICHEWABLK-UHFFFAOYSA-N	301.302	1.867	50	20	DDGD	
O=C(Cc1csc(-c2ccoc2)n1)NNC(=O)CC1CC1	294146047	MCCOCISVQWGHBF-UHFFFAOYSA-N	305.359	1.893	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@@](C)(O)C2CC2)cc1	804171901	NWKIPRAPICOILL-HNNXBMFYSA-N	308.403	1.396	50	20	DDGD	
Cc1nnc(CCNC(=O)NNc2cccc(Cl)n2)s1	293209452	BPUKZVCKTKPLQC-UHFFFAOYSA-N	312.786	1.764	50	20	DDGD	
Cc1nc(O)c(Br)cc1C(=O)NNc1cccnn1	803097707	BSCIHJDZNORFJH-UHFFFAOYSA-N	324.138	1.405	50	20	DDGD	
CN(CCCC(=O)NNC(=O)c1ccc[nH]1)C(=O)OC(C)(C)C	299290845	JQJDVXISRHIVAM-UHFFFAOYSA-N	324.381	1.423	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CC1CCCC1)N(C)CC(F)(F)F	806723968	IOAGJJBIFTXLOW-SECBINFHSA-N	309.332	1.597	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2coc3c2C(=O)CCC3)O1	295671690	ULNMTFJJIYZKPB-UFBFGSQYSA-N	306.318	1.127	50	20	DDGD	
Nc1nc(C2CC2)ncc1C(=O)NNC(=O)c1ccccc1F	806294247	LKRGAQZVBJKGCT-UHFFFAOYSA-N	315.308	1.150	50	20	DDGD	
O=C(NNc1cccnn1)[C@@H]1CCN(c2ccccc2F)C1	290449235	JLLWCLLDRWWXDP-LLVKDONJSA-N	301.325	1.585	50	20	DDGD	
COc1ccccc1NCC(=O)NN=Cc1c[nH]c(C(=O)O)c1	814711931	BFPSURNBPNXESX-UHFFFAOYSA-N	316.317	1.284	50	20	DDGD	
Cc1cc(CC(=O)NN=C2CCO[C@@H](C(F)(F)F)C2)n[nH]1	814788536	ZFJKBCZVUBDIAV-SNVBAGLBSA-N	304.272	1.474	50	20	DDGD	
Cc1ccccc1-n1nccc1C=NNC(=O)Cc1cc[nH]n1	814954887	RQRRDPKGPZHKBJ-UHFFFAOYSA-N	308.345	1.597	50	20	DDGD	
C[C@H](C(=O)NNc1nc[nH]n1)c1ccc(Br)s1	816632764	XKLJESAGBPGJQO-YFKPBYRVSA-N	316.184	1.876	50	20	DDGD	
CS(=O)(=O)CC1CCC(=NNC(=O)c2ccccn2)CC1	814683493	CTZUYRAXYBWKPJ-UHFFFAOYSA-N	309.391	1.402	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@H](C)[C@@H]1OCCc2sccc21	813867343	OQWZEPAYRFFGRB-SKDRFNHKSA-N	311.407	1.737	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccncc1)c1ccc2c(c1)OCO2	814184946	NAWQNLGUROUWRT-JTQLQIEISA-N	313.313	1.375	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1ccccc1C#N	814763106	SSDYKLWJILHWHN-CYBMUJFWSA-N	314.389	1.367	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc(C#N)cc2)c(C2CC2)n1	813429285	DKAMNWIMDZQVPQ-UHFFFAOYSA-N	309.329	1.244	50	20	DDGD	
CN(NC(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O)C1CC1	819646186	MYTQAAYQMKMDSU-CYBMUJFWSA-N	307.781	1.818	50	20	DDGD	
NC(=O)c1ccc(NC(=O)NNc2cccc(Cl)n2)cc1	813832956	GBPSQUHKOUIAGY-UHFFFAOYSA-N	305.725	1.983	50	20	DDGD	
CN(c1ccccc1)c1ccc(C(=O)NNc2cnnn2C)cn1	816769857	ZOSZQAIQLVFBSG-UHFFFAOYSA-N	323.360	1.735	50	20	DDGD	
COc1cccc(NCC(=O)NN=Cc2cnc(OC)s2)c1	812225028	OWXSURJSHIYWAM-UHFFFAOYSA-N	320.374	1.723	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1ccccc1C(F)(F)F	816843813	CTUMJQPBLFDNTA-HTQZYQBOSA-N	301.268	1.660	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2cccc(C#N)c2)CCC1(F)F	811874776	OWNCJZDFKFIKLA-SNVBAGLBSA-N	322.315	1.890	50	20	DDGD	
CO[C@@H]1CCC[C@@H](C(=O)NNC(=O)COc2ccc(C)cc2)C1	814365609	RIRSATRLUKCBRC-UKRRQHHQSA-N	320.389	1.726	50	20	DDGD	
Cc1cc(Cl)cc2c1OCC2=NNC(=O)Cc1cc[nH]n1	814955200	YIWXZQJXPVOGNO-UHFFFAOYSA-N	304.737	1.827	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc2ccccc2n1CC#N	729343185	KXMGYJGLMCLQDO-UHFFFAOYSA-N	313.361	1.909	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc(O)cc1O	826447237	VTGZXITZPURRQR-UHFFFAOYSA-N	312.289	1.035	50	20	DDGD	
CC(C)OC1CCN(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CC1	827288471	MPLZRYPMKQWABG-WCQYABFASA-N	313.398	1.042	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@H](Cc2ccc(F)cc2)C1	827859807	OGYVUUVVNQQKDX-CQSZACIVSA-N	321.396	1.494	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ncccc1Oc1ccccc1	823929279	XHUOYGKVFQCMET-GFCCVEGCSA-N	301.346	1.831	50	20	DDGD	
O=C(CC[C@H]1CCCCO1)NNc1cccc(-c2nn[nH]n2)c1	826405704	QKQRQSVIKFMVPY-CYBMUJFWSA-N	316.365	1.659	50	20	DDGD	
C[C@H](CC(=O)O)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	827303516	GMFMDBHXMGGDBT-SNVBAGLBSA-N	306.362	1.856	50	20	DDGD	
CN(C)C1(CNC(=O)/C(C#N)=C/c2cnn(C)c2)CCCCC1	491050790	QUAVIJGZCIDGJJ-OQLLNIDSSA-N	315.421	1.708	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc2nc[nH]c2c1	826448787	LVTUWNAWOUCISC-UHFFFAOYSA-N	320.316	1.500	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12	495824224	URFMWBHDLWHZOE-UHFFFAOYSA-N	320.261	1.192	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1c(F)cc(Br)cc1F	823946408	IZRHJTBJUYIYLI-ZCFIWIBFSA-N	323.137	1.685	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C2=COCC2)cc1OC	727764771	MDXUXIINLSFQPR-UHFFFAOYSA-N	306.318	1.159	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccc2oc(C(C)C)nc2c1	495366350	AQBCBGNKIPXLGY-UHFFFAOYSA-N	320.305	1.277	50	20	DDGD	
CC(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)=C1CCCC1	494540046	QSHBMVITFMNOMK-UHFFFAOYSA-N	311.382	1.549	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1	490976988	SBPIGZWPFGLIKI-GRNBYLDVSA-N	315.373	1.636	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C)[C@@H](C)c1cccc(C#N)c1	823619207	ZNOBBYSNIBKCCU-LBPRGKRZSA-N	302.378	1.354	50	20	DDGD	
O=C(NCC[C@@H]1CCc2ccccc21)c1ccc(B(O)O)cc1	584995819	SAYYIHMJVSBAPG-AWEZNQCLSA-N	309.174	1.216	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCc2c(C3CC3)cccc21	584973188	BPAZMTJYSYFMNA-UHFFFAOYSA-N	307.158	1.447	50	20	DDGD	
CCNC(=O)N(C)N=Cc1ccccc1O[C@@H](C)C(=O)OC	901207011	IJEKRWKALZAKJW-NSHDSACASA-N	307.350	1.622	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CNC(=O)OC(C)(C)C	493425208	JDQRKYGACAQTSJ-UHFFFAOYSA-N	321.377	1.210	50	20	DDGD	
C[C@]1(C(=O)N2CCN(CC3CC3)CC2)C[C@H]1Br	906332848	HAABHKLKNOSVPO-YPMHNXCESA-N	301.228	1.714	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(OC2CCOCC2)cc1	491929979	FVRVEDSAJIMCTL-UHFFFAOYSA-N	308.334	1.635	50	20	DDGD	
COc1cccc([C@H]2C[C@H](NCc3cccc(B(O)O)c3)C2)c1	585044637	OQURYQVLCLMGKD-JCNLHEQBSA-N	311.190	1.411	50	20	DDGD	
CC(C)(C)N1CC[C@H](NS(=O)(=O)CCCCCl)C1=O	827815142	OMFIHRJNAWOONB-JTQLQIEISA-N	310.847	1.324	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1C[C@@H](c2ccc(F)cc2)C[C@@H]1C	827859752	MKJBYEMCKFBZEP-JSGCOSHPSA-N	321.396	1.807	50	20	DDGD	
CCN(CCO)NC(=O)Cc1ccc(OC)c(OC)c1Cl	823888989	DQNXEFUMFAKXCW-UHFFFAOYSA-N	316.785	1.245	50	20	DDGD	
COC(=O)c1cc(/C=C(\C#N)C(=O)Nc2nccs2)cn1C	491175533	LHHDFJKRJBNJDO-BJMVGYQFSA-N	316.342	1.814	50	20	DDGD	
C[C@H](CC(=O)O)C(=O)NNC(=O)c1cccc2cccnc12	827303652	HHNJCKZWJNLMME-SECBINFHSA-N	301.302	1.107	50	20	DDGD	
CC(C)CCO[C@H](C)C(=O)NNC(=O)COc1ccccc1O	730779611	ANYMRKUWGCSCBU-GFCCVEGCSA-N	324.377	1.370	50	20	DDGD	
CC[C@](C)(NC(=O)c1ccc(B(O)O)cc1)c1nc(C)cs1	584951996	QQFUNBYXIJCJMD-HNNXBMFYSA-N	318.207	1.187	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCC1(CC(N)=O)CC1	491051614	SVZBVDMTYAUSIL-GHXNOFRVSA-N	301.321	1.504	50	20	DDGD	
CC(C)[C@H]1CCCN1CC(=O)NNC(=O)c1ccc(C#N)cc1	839472715	SSVDXBFXUVUNGY-OAHLLOKOSA-N	314.389	1.440	50	20	DDGD	
CC(C)(C)O[C@@H]1C[C@H](NS(=O)(=O)CCl)[C@H]1n1cccn1	832550293	OGYXIFYBZNRPHJ-HBNTYKKESA-N	321.830	1.496	50	20	DDGD	
Cn1c(=NNC(=O)C(C)(C)NC(=O)O)sc2ccccc21	738996838	BZDMHGCZPPHTRE-UHFFFAOYSA-N	308.363	1.218	50	20	DDGD	
Cc1ccc(NNC(=O)CS(=O)(=O)C2CC2)c(Cl)c1	836936074	XYYZLZQYMCIOOW-UHFFFAOYSA-N	302.783	1.669	50	20	DDGD	
Cc1cc([C@@H](C)NC(=O)c2cc(B(O)O)ccc2F)c(C)o1	584940449	SWYCTVXULGIWPT-SECBINFHSA-N	305.114	1.206	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H](C2CCC2)C2CC2)n1	836688885	NAMKSNBMCIHFHU-CYBMUJFWSA-N	305.382	1.998	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N(Cc1cccs1)C1CC1	584928442	SDAMFVBTEHKFRO-UHFFFAOYSA-N	301.176	1.233	50	20	DDGD	
COc1ccc(C)cc1CC(=O)NNC(=O)[C@@H]1CCCCO1	833260453	DHCBOUNNMOZHBE-AWEZNQCLSA-N	306.362	1.263	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCc2sccc21)[C@@H]1CCCCO1	833245799	AJFGDJYDRAFDFN-NEPJUHHUSA-N	308.403	1.885	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC[C@@H](O)[C@@H]1C(=O)O	911638103	QNBQDSSUANQXTL-IWSPIJDZSA-N	322.199	1.233	50	20	DDGD	
CCOCC(=O)NN=C(C)c1ccc(N2CCOCC2)c(F)c1	731153950	MRLULNCMEHGCGU-UHFFFAOYSA-N	323.368	1.539	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)ccn1	731561704	SKXBTBCCEXDROW-UHFFFAOYSA-N	313.317	1.820	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@](C)(OC)C2CC2)c(F)c1	837207428	VVVAJZYCNVFIPX-HNNXBMFYSA-N	310.325	1.871	50	20	DDGD	
C[C@@H]1[C@@H](NCc2ccc(B(O)O)cc2)CCN1Cc1ccccc1	585041438	PGNOKTRSOZSBMV-BEFAXECRSA-N	324.233	1.119	50	20	DDGD	
Cc1oc(C=NNC(=O)COCc2ccccc2)cc1C(=O)O	738970265	UDNIMTAYWHMDGS-UHFFFAOYSA-N	316.313	1.953	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2CC[C@H](c3ccccc3F)C2)c1	585040045	YWOALSJQSKHARR-GOEBONIOSA-N	313.181	1.931	50	20	DDGD	
COc1cccc2c1OC[C@H](NC(=O)NNC(=O)C1CCC1)C2	732462358	TZZRWKGCITZLBC-GFCCVEGCSA-N	319.361	1.129	50	20	DDGD	
CO[C@H]1CC(=NNC(=O)Cc2cn3ccccc3n2)C12CCC2	834963882	UEUCKFZTRGTAKC-AWEZNQCLSA-N	312.373	1.938	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCCC2)nc1)[C@H]1CCCCO1	834985514	IXDNPPLGPAKDCE-CQSZACIVSA-N	302.378	1.701	50	20	DDGD	
CC(C)(CC#N)CNC(=O)NNC(=O)CCOc1ccccc1	838753540	MKFBGRQQJSOTDW-UHFFFAOYSA-N	318.377	1.726	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1	832754199	FGUVLVNHQOKJJQ-UONOGXRCSA-N	304.390	1.564	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc(C(N)=O)cc2C)n1	916634229	ZSLDDQMKVKVVQI-UHFFFAOYSA-N	316.321	1.041	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H](C)[C@@H](O)CC)c1	913823744	PYHHAMVJMHZQIS-GWCFXTLKSA-N	305.403	1.393	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(Cl)cc1F)c1nncn1C	914164394	FIOIJZKJILZTBR-ZETCQYMHSA-N	312.736	1.995	50	20	DDGD	
CSC1(CNC(=O)NNC(=O)C(C)(C)C)CCOCC1	743599652	VVHIZCSOLQYRPT-UHFFFAOYSA-N	303.428	1.275	50	20	DDGD	
Cc1ccccc1OCC(=O)NNC(=O)c1cccc(Cl)n1	749469280	LYACRZKTXMMQHT-UHFFFAOYSA-N	319.748	1.883	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)CC(F)(F)F)cc1C	911428100	UFWKPXDKFJDIBB-UHFFFAOYSA-N	302.252	1.911	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c1	748429807	VVOOFDJJIPXIDJ-UHFFFAOYSA-N	316.317	1.517	50	20	DDGD	
CCCNCCNC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	841965337	QABIZKGQVDGQDH-UHFFFAOYSA-N	322.413	1.088	50	20	DDGD	
COc1ccc(OCCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	843640509	OIPBQOPXOMPRPL-RISCZKNCSA-N	322.361	1.037	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc(C(=O)NC)cc1	912800182	JNJIQMUVXMPXKF-UHFFFAOYSA-N	304.394	1.228	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccc(C#N)c2)c(C)c1	741921948	ZIPCZHLLRIQOSK-UHFFFAOYSA-N	309.325	1.950	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cnc(-c2ccccc2F)s1	910167198	DLVQWCWEUHRPTI-SECBINFHSA-N	309.366	1.907	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)ccc1Cl	843663464	XUBUUZNXAIIESC-SCZZXKLOSA-N	312.753	1.535	50	20	DDGD	
CC1=C(C)C[C@H](C(=O)NNc2nc(O)c3cnn(C)c3n2)CC1	843799336	WBSHNWYXNUEVMW-SNVBAGLBSA-N	316.365	1.649	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1c[nH]c2cc(C)ccc12	748259960	ZTHCAURDVYLVQE-LBPRGKRZSA-N	303.362	1.978	50	20	DDGD	
Cc1cnc(CCNC(=O)NNC(=O)[C@@H]2CCCCO2)c(C)c1	847415794	GITBCXSAGOMIDT-AWEZNQCLSA-N	320.393	1.140	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)OCc2ccnn2C)cc(C#N)n1C	747260844	ZODDKEFDYMYKEV-AWNIVKPZSA-N	309.329	1.589	50	20	DDGD	
O=C(NC[C@@H]1CCCN1)NNC(=O)c1cccc2ccccc12	841936896	MKAIJSWLHXMSAB-ZDUSSCGKSA-N	312.373	1.536	50	20	DDGD	
Cc1sc(Cl)nc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843657838	QHWZDQMUFBVEGO-VDTYLAMSSA-N	303.771	1.291	50	20	DDGD	
O=C1COc2cc(C(=O)NNc3ccc(Cl)nc3)ccc2N1	743818820	OHVPYRQBODKZKY-UHFFFAOYSA-N	318.720	1.823	50	20	DDGD	
CN(C)[C@@H](C(=O)NNC(=O)NC1CC1)c1ccc(Cl)cc1	847391753	HBONKOZBFGBSOS-GFCCVEGCSA-N	310.785	1.436	50	20	DDGD	
CC1(NC(=S)NNC(=O)c2cc([N+](=O)[O-])ccc2O)CCC1	840731908	AHKSVFNQDQAOKO-UHFFFAOYSA-N	324.362	1.352	50	20	DDGD	
C[C@@H]1C(=O)N(NC(=O)[C@@H](Br)C(C)(C)C)C(=O)N1C	912822828	BMNVJQIKXIEBDI-RNFRBKRXSA-N	320.187	1.110	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1C[C@@H](F)C[C@H]1C(=O)O	910443936	XUQBESZSROBTOE-BIIVOSGPSA-N	310.163	1.820	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1nc2ccccn2n1)CC(C)C	842186761	JWISNRCKIQDDCI-LLVKDONJSA-N	306.370	1.417	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)c1ccc(Cl)cc1O	749763980	JROSOQLPXNSGHK-ZETCQYMHSA-N	301.799	1.953	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cccc2c1OCCO2	917546444	YJZFKXKMBSKCMF-UHFFFAOYSA-N	318.358	1.569	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@]2(C)C[C@@H]2Br)c1	912978888	XIGBFIVJNAJERZ-KWQFWETISA-N	317.208	1.991	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)CCc1ccccc1)C(C)C	743637047	IYQBFOZUIMMTKI-CQSZACIVSA-N	307.394	1.621	50	20	DDGD	
CCSc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cn1	843644801	DWSWNMDUJZANIB-MWLCHTKSSA-N	309.391	1.380	50	20	DDGD	
COC(=O)[C@H](NNC(=O)[C@H]1CCCCO1)c1ccccc1F	842151708	YGKFLDGNFSFVHS-CHWSQXEVSA-N	310.325	1.230	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCC(C)CC1)c1cn(C)nc1C	917543722	NLWHBQRHHULUPC-CYBMUJFWSA-N	319.453	1.937	50	20	DDGD	
Cc1n[nH]c(C)c1C=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1	915951570	PNYGBLPTWHBDTQ-UHFFFAOYSA-N	302.294	1.281	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)c1nnc(-c2ccccc2)o1	749768179	QWBSIYCYVUKQBA-SECBINFHSA-N	319.390	1.644	50	20	DDGD	
CO[C@](C)(C1CC1)[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCCCO1	840423854	KJUCDUURXBMIIO-GMXABZIVSA-N	313.398	1.090	50	20	DDGD	
CC(C[C@@H]1CCCC(=O)N1)=NNC(=O)CCc1ccccc1O	841622829	BDBWODIYTUVDLB-AWEZNQCLSA-N	317.389	1.876	50	20	DDGD	
COc1cc(NC(C)=O)ccc1C(C)=NNC(=O)CN(C)C	747751115	HWDIOYKEXXGLHO-UHFFFAOYSA-N	306.366	1.055	50	20	DDGD	
COc1ccc(C=NNC(=O)C(=O)N2CCCC2)c(Cl)c1	748136889	VQEHMJHZELGQMA-UHFFFAOYSA-N	309.753	1.421	50	20	DDGD	
C=CCNC(=O)COC(=O)/C(C#N)=C\c1cccc(OC)c1	849204271	UVSCWOASHUMCND-JYRVWZFOSA-N	300.314	1.448	50	20	DDGD	
CCn1cc(CC(=O)NNC(=O)NCC2CC2)c2ccccc21	748231255	FOWCNAOHUNASSR-UHFFFAOYSA-N	314.389	1.944	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@@H](C(=O)O)C2)C[C@@H]1Br	857100552	JDWYDPJRMDEQQS-VDDIYKPWSA-N	319.199	1.666	50	20	DDGD	
C[C@@]1(CNC(=O)c2cc(C(N)=O)cs2)C[C@@H]1Br	857403960	VVHCWSWEVHOOAR-KWQFWETISA-N	317.208	1.750	50	20	DDGD	
O=C(NCC1CCN(CC2CC2)CC1)NNc1ccccn1	852708039	OWFCTQAHLZVEQB-UHFFFAOYSA-N	303.410	1.830	50	20	DDGD	
O=C(NNC(=O)c1cccnc1C1CC1)OCC(F)(F)F	856023093	XZHMDGWAZHCFBF-UHFFFAOYSA-N	303.240	1.892	50	20	DDGD	
O=C(NN=Cc1cccc(Cl)c1F)[C@@H]1CCS(=O)(=O)C1	759648075	HXOQTOHKZGGDKC-SECBINFHSA-N	318.757	1.364	50	20	DDGD	
O=C(NNC(=O)c1ccc(Br)s1)c1cnco1	758099158	JHHAMSPWVUMQPM-UHFFFAOYSA-N	316.136	1.573	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@H](CO)Cc1ccc(F)cc1	753340404	VEPKALWMZQPFHF-AWEZNQCLSA-N	323.368	1.250	50	20	DDGD	
Cc1cc(Br)cc(C(=O)NNc2cnnn2C)c1C	857270085	OBMUFCMDYPXGID-UHFFFAOYSA-N	324.182	1.951	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1)c1ncccn1	854952593	MSGLDICOWDGLKC-LSDHHAIUSA-N	324.384	1.897	50	20	DDGD	
C[C@@H]1CCS(=O)(=O)CCN1C[C@H](CBr)C1CC1	859278273	OFHKAKWDSNKDEW-PWSUYJOCSA-N	324.284	1.917	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)c2cccc(F)n2)C[C@H](CC)O1	852711120	DMAJYJWUSLOPJU-QWRGUYRKSA-N	324.356	1.465	50	20	DDGD	
CC(C)N1CC(=NNC(=O)Cc2cn3ccccc3n2)[C@H](C)C1	754261382	WDMDAIAOYJWYEL-CYBMUJFWSA-N	313.405	1.709	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H](CCO)C2CC2)cc(C#N)n1C	757073784	RDGMIFRXUIKOKW-KAMPRCONSA-N	312.373	1.389	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)c2ccc(C#N)cc2)CCC1	751785741	GTUIMJWPKAVCRA-UHFFFAOYSA-N	315.329	1.053	50	20	DDGD	
C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(B(O)O)cc1	928379461	IWAGTYCBJWYNQG-RDTXWAMCSA-N	323.201	1.775	50	20	DDGD	
CCOC(=O)C1CCC(NC(=O)NNC(=O)CC(C)C)CC1	921117890	DWSYQHKYEKIANF-UHFFFAOYSA-N	313.398	1.485	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1cccc([N+](=O)[O-])c1C	756823335	KUHVBNWLHJWFRO-UHFFFAOYSA-N	304.306	1.022	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1n[nH]c2ccccc12)C1CC1	751615781	BDJLUZICMHQGDJ-QMMMGPOBSA-N	303.391	1.470	50	20	DDGD	
O=C1NCC[C@@]1(C(=O)NNc1ccc(F)cc1)C1CCCC1	858279863	WPIYUAHMNLTVLL-MRXNPFEDSA-N	305.353	1.965	50	20	DDGD	
COc1cccc2c1NC(=O)C2=NNC(=O)OCC(F)(F)F	853428364	DBYNVAUHVUGFHX-UHFFFAOYSA-N	317.223	1.640	50	20	DDGD	
CNC(=O)NN=Cc1cc2c(cc1Br)OCO2	920377416	WPWUEWJOLMPRHS-UHFFFAOYSA-N	300.112	1.441	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H]1CSC(c2ccccc2O)=N1	854666454	WIRRJOYUQRPAFN-LLVKDONJSA-N	319.386	1.202	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCc1nnnn1C1CC1	752477588	KDFHQVCZBJVQCD-XFFZJAGNSA-N	312.308	1.370	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cccnc2)cc2n[nH]cc12	757817211	FPPSOXYINOWVKC-UHFFFAOYSA-N	310.317	1.733	50	20	DDGD	
CC1(C)CCC[C@H]1CNC(=O)NNC(=O)c1cccc(F)n1	852360220	VVFCFPMWSKFFKE-JTQLQIEISA-N	308.357	1.991	50	20	DDGD	
CCCC[C@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)C(C)C	857152088	QDDYBSHGGZJCFP-LBPRGKRZSA-N	320.393	1.630	50	20	DDGD	
Cc1c(NNC(=O)CCc2ccncn2)cccc1[N+](=O)[O-]	756876095	PGPIZICCUBOWFI-UHFFFAOYSA-N	301.306	1.769	50	20	DDGD	
O=C(NN=Cc1ccc(O[C@@H]2CCOC2)cc1)c1cnccn1	853287406	WKKKCNQESSRWDF-CQSZACIVSA-N	312.329	1.408	50	20	DDGD	
C[C@H](OCc1ccc(F)cc1)C(=O)NNc1ncncc1F	857511293	INEXOZFYZZBNHB-VIFPVBQESA-N	308.288	1.803	50	20	DDGD	
O=S(=O)(CBr)N[C@@H]1CNC[C@H]1c1ccccc1	858621156	NMOHXVJXWVUJLH-WDEREUQCSA-N	319.224	1.014	50	20	DDGD	
Cc1ccc(NNC(=O)C(C)(C)S(=O)(=O)C2CC2)cc1F	856227436	DBBSAKBESXNMIS-UHFFFAOYSA-N	314.382	1.933	50	20	DDGD	
CCOC(=O)CCCNC(=O)NC[C@@]1(C)C[C@H]1Br	856822144	YFQVIUNABQJCPD-BXKDBHETSA-N	321.215	1.802	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](c2ccc(F)cc2)C1	755993105	APAHDHOEFVYYFH-WCQYABFASA-N	307.369	1.561	50	20	DDGD	
COCCn1cc(CNC(=O)NNc2ccc(Cl)cn2)cn1	852309730	DSSHGIDJHXVHRZ-UHFFFAOYSA-N	324.772	1.404	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ncnc2ccsc12)C1CC1	855095796	SBNIURUDKAFJJV-ZETCQYMHSA-N	321.431	1.599	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cc(C2CC2)n(CC)n1	930273376	GIESLICLSOLEHP-UHFFFAOYSA-N	303.366	1.737	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNC(=O)c1cc2ccccc2o1	934205717	SNGUILIEIACVAU-GHMZBOCLSA-N	316.313	1.393	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C=NNC(=O)Cc2cc[nH]n2)c1C	863117206	MLYZRZDXMULLSQ-UHFFFAOYSA-N	317.349	1.224	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C/c1cn(C[C@H]2CCCO2)nn1	865223593	JKICRMKBPVKASM-GKWYLQRDSA-N	310.379	1.146	50	20	DDGD	
COCC(=O)NN=Cc1cc(Br)c(O)c(OC)c1	761819411	OJQPRLXWKAPUQW-UHFFFAOYSA-N	317.139	1.260	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cnc2cccnn12	863102020	RGMPTUIEQYFOAP-UHFFFAOYSA-N	309.198	1.161	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@H]1CCO[C@H](C(C)C)C1	935197615	DTHIYQWWMAYALS-QWRGUYRKSA-N	319.496	1.296	50	20	DDGD	
CCc1c(C(=O)NNc2ccc(OC)cc2[N+](=O)[O-])cnn1C	768335847	QEQYJBRYCZUINQ-UHFFFAOYSA-N	319.321	1.656	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2cncc(Cl)c2)o1	768277934	BIESTLSWUFHCOX-UHFFFAOYSA-N	315.738	1.260	50	20	DDGD	
O=C(/C=C/CN1CCOCC1)NNc1nccnc1C1CCC1	868340532	XOQYAENUGLKADL-GORDUTHDSA-N	317.393	1.076	50	20	DDGD	
O=C(CCc1cscn1)NNCC(F)(F)C(F)(F)F	863094493	KULMRMBSOOLNRZ-UHFFFAOYSA-N	303.256	1.894	50	20	DDGD	
COCCNC(=O)c1cc(NCCSSC)ccn1	865767432	HABZITAYZLQBAJ-UHFFFAOYSA-N	301.437	1.881	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2cncnc2)c(C)c1	760800228	QZPBEWWELGKNLQ-UHFFFAOYSA-N	301.375	1.725	50	20	DDGD	
COCC(=O)NN=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	761819556	ZJJXHTXUEUOHOV-UHFFFAOYSA-N	320.349	1.682	50	20	DDGD	
Cn1nc(C(=O)NNc2ccc(Cl)nc2)cc1OC(F)F	768716406	LGRZXOSAAXPDMQ-UHFFFAOYSA-N	317.683	1.827	50	20	DDGD	
CC(C)Cn1ncc(C(=O)NNC(=O)c2cn[nH]c2)c1C1CC1	862471202	VEGYGMSNBBVUND-UHFFFAOYSA-N	316.365	1.214	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)C12CCCN1CCC2	1118728146	UAQQQQNZHPYNOC-UHFFFAOYSA-N	308.313	1.805	50	20	DDGD	
Cc1c(C(=O)NNC(=S)NC(C)C)cnn1CCC(C)C	1116354785	QEHDKVQQTVOKFM-UHFFFAOYSA-N	311.455	1.755	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=C1CC(C(F)F)C1	766020687	GDKQPTKGVIHCCW-UHFFFAOYSA-N	301.318	1.625	50	20	DDGD	
Cc1cc(C(=O)NN(C)C[C@H](C)O)c(C)n1Cc1ccco1	1119645166	PKDHMIUOUIUXQM-LBPRGKRZSA-N	305.378	1.704	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)C2CCCCC2)c(=O)n(C)c1=O	767739573	YOIZJXAVPFQKJU-XYOKQWHBSA-N	301.346	1.140	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cnn(C[C@@H]2CCCO2)c1	1119835242	LZIRNIYVDUYTOZ-ZDUSSCGKSA-N	319.365	1.018	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NNc1cc(Cl)ccc1F	871271612	SFZAMCXFGZSTPH-SECBINFHSA-N	302.737	1.759	50	20	DDGD	
O=C1C[C@@H](C(F)(F)F)[C@@H](C(=O)NNc2ccc(F)cc2)CN1	873925569	SWHJKFZAQJCERL-VHSXEESVSA-N	319.258	1.583	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)COc1ccc(C)cc1C	771861697	NHRJWWRINRDRAN-GFCCVEGCSA-N	322.361	1.171	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@@H]1CCc2cc(O)ccc2C1	775071663	CHLMAFYUMJODGZ-GFCCVEGCSA-N	305.378	1.626	50	20	DDGD	
O=C(COc1cccnc1)NNC(=O)c1ccccc1Cl	1115963274	QCWZKLNZRJQIJJ-UHFFFAOYSA-N	305.721	1.575	50	20	DDGD	
COCCN(C)NC(=O)Nc1ncccc1OCCCC#N	879242739	UCKRJKIMRLSTKR-UHFFFAOYSA-N	307.354	1.379	50	20	DDGD	
O=Cc1cn(CC(=O)NNC(=O)c2ccccc2)c2ccccc12	773689852	GKXSAHLONQPWKY-UHFFFAOYSA-N	321.336	1.915	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)/C=C1\CC[C@H](C)C1	772186949	WYQPBWNXKXUWGA-VSIAZPJASA-N	310.394	1.858	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C[C@@H]2CC[C@H]3C[C@H]23)cn1	874954784	CUFVRJCXJATUTH-NHCYSSNCSA-N	320.418	1.844	50	20	DDGD	
C=C[C@@H](COC)NC(=O)NNc1ccc(CC(=O)OC)cc1	1118295815	IVSPUAFZNSMPOU-LBPRGKRZSA-N	307.350	1.229	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=C1CCCOc2cc(F)ccc21	1116887119	WLHQEXWQANIQBB-UHFFFAOYSA-O	314.340	1.806	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(C)n(CC3CC3)c2C)nc(N)n1	1119108800	LSQPOCAXGOPVJJ-UHFFFAOYSA-N	314.393	1.952	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](C)[C@@H](OC)c1ccc(F)cc1	875448279	PVANWZCUGNABME-BXKDBHETSA-N	313.329	1.814	50	20	DDGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)[C@H](O)C2CC2)cc1	874950993	NCUMZAZNCYXNRY-CYBMUJFWSA-N	323.418	1.562	50	20	DDGD	
COC(=O)c1ccn(CC(=O)NNc2cc(C)cc(C)c2)n1	878103329	CZBUKEWRBNRXDL-UHFFFAOYSA-N	302.334	1.430	50	20	DDGD	
C[C@@H](CBr)COC(=O)CCn1ccccc1=O	770343962	IJSKHVCJHHKKQV-JTQLQIEISA-N	302.168	1.813	50	20	DDGD	
CC[C@@H](C)Oc1cc(C(=O)NNc2nnc(C)c(O)n2)ccn1	777522259	NRLRXDDLUMSIPU-MRVPVSSYSA-N	318.337	1.215	50	20	DDGD	
O=C(CCN1CCOC1=O)NNc1ccc(F)cc1Cl	885135560	FTWZJFQICTUKMD-UHFFFAOYSA-N	301.705	1.765	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C1CCOCC1)c1cccc(O)c1	883399255	IITDURDLAMLHOI-SNVBAGLBSA-N	307.350	1.210	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@@H]1OCCc2ccccc21	887144245	GZBLAQDMJODKOU-HNNXBMFYSA-N	300.358	1.641	50	20	DDGD	
Cn1nnc2c1CC[C@H](NC(=O)c1cccc(CCl)c1)C2	1120753643	WRTLZVRMTIVSEO-LBPRGKRZSA-N	304.781	1.841	50	20	DDGD	
O=C(CCCCN1CCOCC1)NNc1ccc(F)c(F)c1	885110652	JCJUFJLUZYHRPM-UHFFFAOYSA-N	313.348	1.910	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2ccc(C)nc2C)n1	784848376	QCVVSRUCRAZJFF-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
CN1C(=O)CC[C@H]1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	785328243	MVOXBRQYRMIATJ-VIFPVBQESA-N	312.713	1.312	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)N[C@@H]2CC[C@H](C)C2)cc1	780787867	XSYOFTSZKWFMRC-NWDGAFQWSA-N	321.377	1.593	50	20	DDGD	
CC[C@@H]1C(=O)NCCN1C(=O)[C@H](Br)C(C)(C)C	781084979	HEHOIXSLLCIVIN-BDAKNGLRSA-N	305.216	1.533	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)[C@@H](C)C2(C)C)o1	780875713	XKQRBHCSUVOLFY-MNOVXSKESA-N	306.362	1.990	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2cncc(O)c2)c1	785683436	BFOPPRBCLKPJQO-UHFFFAOYSA-N	315.329	1.244	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C2(SC)CCC2)c1	787866037	JTZXNOOQZWWKRI-UHFFFAOYSA-N	323.418	1.540	50	20	DDGD	
COCCN(C)NC(=O)[C@H](CC1CC1)NC(=O)OC(C)(C)C	897722221	UTWKSCXHCKMJKK-LBPRGKRZSA-N	315.414	1.289	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(C)(C)c1ccc2c(c1)OCCO2	780706073	KSCMWXVPBZDDAQ-UHFFFAOYSA-N	321.377	1.428	50	20	DDGD	
O=C(NNC(=O)[C@H](O)C1CCCCC1)c1ccc(Cl)nc1	783560773	ZDSDENXERISZGO-GFCCVEGCSA-N	311.769	1.437	50	20	DDGD	
CC(C)C(=O)NN=Cc1cn(CCC#N)nc1-c1ccncc1	788420652	YVWCDPSMGZTSHE-UHFFFAOYSA-N	310.361	1.965	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1ccc(OC)c(F)c1C	782909905	GFZQOOBKDNQWIS-UHFFFAOYSA-N	319.358	1.045	50	20	DDGD	
CCOCCONC(=O)NNc1ccc(Cl)c(OC)c1	789205310	XVGXYKAJFUQNKM-UHFFFAOYSA-N	303.746	1.943	50	20	DDGD	
CC(C)Nc1ccc(C(=O)NNC(=O)NCc2ccco2)cn1	787200214	DARRIUFNSPCFSI-UHFFFAOYSA-N	317.349	1.639	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53	795115956	PCMOPXGQGGPGCM-KDIHQZMCSA-N	322.372	1.190	50	20	DDGD	
CO[C@H]1CCN(CC(=O)NNC(=O)c2cccs2)[C@H](C)C1	799343867	OYNNNHGCKZSNFM-MNOVXSKESA-N	311.407	1.008	50	20	DDGD	
CC(=NNC(=O)Cc1ccc(Cl)cc1)c1ccc(O)nn1	790152044	YTFKFSURIIZVMT-UHFFFAOYSA-N	304.737	1.919	50	20	DDGD	
COc1ccc(O)c(C(C)=NNC(=O)c2ccc(O)c(O)c2)c1	794557583	FGYFSHYZALXNCX-UHFFFAOYSA-N	316.313	1.966	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCc1cnc2ccccc2c1	792479371	NTZYDXVVZOBVSD-UHFFFAOYSA-N	301.346	1.086	50	20	DDGD	
CC[C@H](C)CC[C@@H](O)CC(=O)NNc1nc2ccccn2n1	793955433	QVFSBKNXPZILAY-NWDGAFQWSA-N	305.382	1.750	50	20	DDGD	
CCn1c(NNC(=O)/C=C/COC)nc2ccccc2c1=O	791311806	OAGMOEMKCRATKO-RMKNXTFCSA-N	302.334	1.062	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1c(C)nn(C(C)C)c1C	794248035	UXNWWXLLMUTPQN-UHFFFAOYSA-N	309.414	1.754	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3n[nH]cc3C)n[nH]2)cc1	799410156	FDXHKLGMVIOQTJ-UHFFFAOYSA-N	324.344	1.491	50	20	DDGD	
O=C(NNc1cccc(Cl)c1)C(=O)Nc1cccc(F)n1	793029538	RUZFTUUCDAFHCJ-UHFFFAOYSA-N	308.700	1.956	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H]2[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)n1	793010552	DCIRAKFGTRNZIS-YYAFLBMPSA-N	312.373	1.322	50	20	DDGD	
CSCCCN(C)CC(=O)NNC(=O)c1cccs1	799199191	SIGQNVLPRSJPMC-UHFFFAOYSA-N	301.437	1.194	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@@H]2OCCc3ccccc32)c1Cl	1319408843	DANINIOZOGCRJC-GFCCVEGCSA-N	319.752	1.469	50	20	DDGD	
COC(=O)C(=O)NN=C1c2ccc(Cl)c(Cl)c2O[C@H]1C	1318903547	XMVZNFBCAOUGIM-YFKPBYRVSA-N	317.128	1.768	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2cccc(C#N)c2)o1	1319485401	WXQYROFYDYUABX-UHFFFAOYSA-N	313.269	1.013	50	20	DDGD	
COCCC1(CNC(=O)NNc2nncc(N)c2Cl)CC1	1319442288	JAIDAYKRGXAZML-UHFFFAOYSA-N	314.777	1.155	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccn2C)c(C)n1CC1CC1	1318282205	KWMKAQLXOOTWLM-UHFFFAOYSA-N	314.389	1.928	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)CCN2CCC(C)CC2)cn1	1318034576	JXAGDIZYRFKEDN-UHFFFAOYSA-N	305.426	1.865	50	20	DDGD	
CN(C)[C@@H](C(=O)NNc1nncc(N)c1Cl)c1ccccc1	1324009825	XOXHSGNTSNQHIX-GFCCVEGCSA-N	320.784	1.458	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CCc2ccccc2O)ccn1	1326809103	FPJZEDQHDMHVLQ-UHFFFAOYSA-N	315.329	1.190	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@H](OCC)C2CC2)nc1C	1329966122	NVOIIANINNJPHJ-GFCCVEGCSA-N	322.365	1.220	50	20	DDGD	
O=C(CCc1ccc2c(c1)CCO2)NNc1ncncc1F	1330458337	CZOBRTKDKXAYOZ-UHFFFAOYSA-N	302.309	1.627	50	20	DDGD	
O=C1CC[C@@H]2[C@@H]1[C@@H]2C(=O)NNc1nc2ccccc2[nH]c1=S	1336903757	DTYWVHPBZPOBQD-VSYUYLJXSA-N	314.370	1.961	50	20	DDGD	
COC(=O)C(=O)NN=C(C[C@@H]1CCOC1)c1ccc(F)cc1	1330189460	AFMUILYEUCUTNG-JTQLQIEISA-N	308.309	1.246	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2CCCC[C@@H]2N(C)C)n1	1339820303	WXAQMIODGZFBHE-NEPJUHHUSA-N	322.413	1.293	50	20	DDGD	
CCN(CC)CC[C@@H](C)NC(=O)NNc1cncc(Cl)n1	1348612280	PGAXMKDLKWXHAI-SNVBAGLBSA-N	314.821	1.877	50	20	DDGD	
O=C(NCc1ccccc1)NNC(=O)c1cc(C(=O)O)co1	1608471868	OIJZVKKTDDXQAT-UHFFFAOYSA-N	303.274	1.122	50	20	DDGD	
O=C(NNC(=O)C12CC(C(=O)O)(C1)C2)c1c[nH]c2ccccc12	1601553781	UTRMAICGCMYNKR-UHFFFAOYSA-N	313.313	1.184	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2c[nH]nc2C)cc(C(=O)O)c1	1600271057	ZZKBWPPPHYDRRE-UHFFFAOYSA-N	317.305	1.191	50	20	DDGD	
C[C@H](CC(=O)O)CC(=O)Nc1cccc(NC(=O)NN(C)C)c1	1609733565	AEYDITAXCCWDOO-JTQLQIEISA-N	322.365	1.724	50	20	DDGD	
O=C(O)CC[C@@H]1CC[C@H](C(=O)NNc2cccc(Cl)n2)O1	1608736516	CJBLWTAYJOCGFM-DTWKUNHWSA-N	313.741	1.591	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)Nc1cccc(C(=O)O)n1	1601560768	XVJBWTYTVLJUHR-UHFFFAOYSA-N	307.697	1.977	50	20	DDGD	
Cn1c(=NNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)sc2ccccc21	1600893796	RCRCITJQEYLCPF-VHSXEESVSA-N	319.386	1.673	50	20	DDGD	
Cn1ncc(C2CC2)c1C(=O)NNc1ccc(CC(=O)O)cc1	1601025423	IIZGJPJKOKSRNK-UHFFFAOYSA-N	314.345	1.682	50	20	DDGD	
Cc1cccnc1C(F)(F)C(=O)NNc1ccc(C(=O)O)cn1	1610534094	AJEPHKKURLOIKW-UHFFFAOYSA-N	322.271	1.718	50	20	DDGD	
Cc1cc(Cl)ccc1C=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549322405	YWVSRASNBBAZED-HUUCEWRRSA-N	321.808	1.962	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)CCCc1ccccc1)[C@@H](C)N	1575414684	QSAZKYVLKMYBHB-CZUORRHYSA-N	305.422	1.776	50	20	DDGD	
CC[C@H](NC)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	1577171930	CCSXZGWZBYQFSM-KOLCDFICSA-N	309.435	1.632	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@H]2CSCCN2)c1C	1578878099	OUJSHDOPSPWUKZ-NSHDSACASA-N	323.418	1.320	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCNC1)c1cc2c(s1)CCCCC2	1574333400	FGGNRDMHIOBHKU-LLVKDONJSA-N	307.419	1.388	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)NNc2ccc(F)c(C(=O)O)c2)C1	1589060878	BAQOGHZSJPBZGB-HNNXBMFYSA-N	323.324	1.226	50	20	DDGD	
O=C([C@H]1CCCO1)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846387397	RDYBFKHULZMBCM-SECBINFHSA-N	321.204	1.173	50	20	DDGD	
COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)NC1CC1	7063295	VHUJWCNULURSQK-IZZDOVSWSA-N	302.330	1.898	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNc1cccc(C(=O)O)c1F	1597308232	YIKXJLCJQFTKRB-KOLCDFICSA-N	311.313	1.718	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)Nc1cncc(C(=O)O)c1	1594782360	ZUQZNFPDBISDNH-UHFFFAOYSA-N	307.697	1.977	50	20	DDGD	
O=C(CN1CCCC1)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1592865149	IFWLFTOLVLVEPJ-UHFFFAOYSA-N	321.772	1.059	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC[C@H]1C(=O)O)c1cc2c(s1)CCC2	1594783044	SPUXGFCEIMBXOK-DTWKUNHWSA-N	308.359	1.109	50	20	DDGD	
CCCC[C@H](CN)NC(=O)NNc1cccc(C(=O)O)c1F	1595633424	JZLZAIDSFCMYBS-SECBINFHSA-N	312.345	1.668	50	20	DDGD	
CCc1oc(C=NNC(=O)Cc2ccncc2)cc1C(=O)O	1597793189	UNPAHGCPGXGYMC-UHFFFAOYSA-N	301.302	1.628	50	20	DDGD	
C[S@](=O)c1cccc(C(=O)NNc2ccccc2C(=O)O)c1	1599781540	YCMGFXMZYZATRP-QFIPXVFZSA-N	318.354	1.879	50	20	DDGD	
Cc1ccc(NNC(=O)c2csc(-c3nn[nH]n3)c2)cc1	1592184811	HAXCMXTVFDMYRN-UHFFFAOYSA-N	300.347	1.994	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cc(C(=O)O)co2)cc1OC	1776019436	QYGXFNXSAHOLLW-UHFFFAOYSA-N	318.285	1.759	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc2oc(C(=O)O)cc2c1	1776039659	QDJWBSRHDZAEIN-UHFFFAOYSA-N	319.317	1.801	50	20	DDGD	
C[C@H]1CCCC[C@H]1NCC(=O)NNC(=O)c1cccc(C#N)c1	162363324	FEFIQWXKRFDHJO-SWLSCSKDSA-N	314.389	1.488	50	20	DDGD	
O=Cc1ccc(OCC(=O)NNc2cccc([N+](=O)[O-])c2)cc1	151784937	JEBNDKHOMJTLAZ-UHFFFAOYSA-N	315.285	1.929	50	20	DDGD	
Cc1ccc(C)c(SCC(=O)NNC(=O)c2cc(C)n[nH]2)c1	153316676	NURLGTZDKRKLIU-UHFFFAOYSA-N	318.402	1.888	50	20	DDGD	
CN(CC(=O)N(C)CC1CC1)NC(=O)OCc1ccccc1	859386892	IAKVSNSXHANILQ-UHFFFAOYSA-N	305.378	1.628	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cccc(Oc2ccncc2)c1	112632291	MAXFIYHYEZUIIA-UHFFFAOYSA-N	300.318	1.790	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)c2cccc(OCC(N)=O)c2)c1	119266518	SVTREEGZCKTOHP-UHFFFAOYSA-N	313.357	1.924	50	20	DDGD	
COc1cc(C)cc(C(=O)NNc2nccnc2Cl)c1O	172287888	PAXPXKCPYAYVTL-UHFFFAOYSA-N	308.725	1.910	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCc2c(C)noc2C)nc1	179800588	QBWUSRNQJIGAOA-UHFFFAOYSA-N	318.333	1.549	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cc(-c2ccncc2)on1	103197398	UNLOIMXVZICULD-UHFFFAOYSA-N	302.334	1.934	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@H]1CCN(c2ccccc2F)C1=O	171788867	ITFBNUZRJMPOGF-NHAQELONSA-N	317.320	1.491	50	20	DDGD	
COc1ccc(CCCC(=O)NNC(=O)c2c[nH]nc2C)cc1	110760405	LZTOAILHKAOXQT-UHFFFAOYSA-N	316.361	1.511	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1cc(-c2ccco2)[nH]n1	118497377	GEYJZRCLOVPDAP-UHFFFAOYSA-N	304.697	1.870	50	20	DDGD	
CSCCCNC(=S)NNC(=O)NCc1ccco1	64936926	OMRCDBBMBNGPLR-UHFFFAOYSA-N	302.425	1.211	50	20	DDGD	
O=C(CCC1CCCC1)NCC(=O)NNC(=O)CC1CCCC1	171090753	CQKUEVYBMCPGJK-UHFFFAOYSA-N	323.437	1.801	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCc1nc(-c2ccco2)no1	64425547	JPMXEQCNXQMJTC-UHFFFAOYSA-N	321.337	1.393	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)CCc2ccccc2O)o1	175223369	KQFZQVUJEMQMRZ-UHFFFAOYSA-N	303.318	1.391	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CNC(=O)Nc1ccccc1	28716570	YDRUPFMPIUCRFJ-UHFFFAOYSA-N	323.422	1.102	50	20	DDGD	
CC(C)(C)OC(=O)N1CCN(CCCNC(=O)CCl)CC1	309636562	MUSSIJFCCVJTAZ-UHFFFAOYSA-N	319.833	1.284	50	20	DDGD	
Cn1ncc2c(=O)[nH]c(/C=C/c3cnn(CCCl)c3)nc21	171540976	MWGBXVIDWDWEJR-NSCUHMNNSA-N	304.741	1.262	50	20	DDGD	
CCc1ccc([C@H](C)CC(=O)NNC(=O)N2CCOCC2)cc1	172343538	QICRMWRJUVNGIF-CYBMUJFWSA-N	319.405	1.816	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)NCCc2cccs2)[nH]n1	122991560	UZILYRAAZVKOGH-UHFFFAOYSA-N	307.379	1.220	50	20	DDGD	
CCCCS[C@H](C)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	79796920	NXFUBCGAWNWYGH-VXGBXAGGSA-N	322.496	1.401	50	20	DDGD	
C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NNc1cccc(Cl)c1	180904305	SNFHHQJCDHKQFC-UFBFGSQYSA-N	311.769	1.059	50	20	DDGD	
O=C(NCCc1ccccc1Cl)NNC(=O)c1ccc[nH]1	129223158	VOPXRRHEABOLFG-UHFFFAOYSA-N	306.753	1.855	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1cccc2cn[nH]c12	127872374	LEPPASKJQVSKBS-UHFFFAOYSA-N	324.340	1.541	50	20	DDGD	
C[C@@H](CCC(=O)NNC(=O)c1cnn(C)c1)c1ccccc1	121685335	DTLKDXNAMNWCGC-LBPRGKRZSA-N	300.362	1.765	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1cccnn1)c1ccc(F)cc1	74929635	WPWJNGVCFHQREB-LBPRGKRZSA-N	305.313	1.630	50	20	DDGD	
N#C/C=C(\c1ccccc1)N1CCN(CC(=O)NC2CC2)CC1	78669241	ZWNYOGKKTBQFFZ-CAOOACKPSA-N	310.401	1.447	50	20	DDGD	
CSCC[C@H](C)N(C)CC(=O)NNC(=O)c1ccccc1	182668033	UAAYTGDADHLHOY-LBPRGKRZSA-N	309.435	1.521	50	20	DDGD	
C[C@@H](NC(=O)CC(C)(C)C)C(=O)NNc1ccccc1[N+](=O)[O-]	187307179	IVMVNGKWKKQWGX-SNVBAGLBSA-N	322.365	1.979	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc(C)cc1)C[C@@H](C)C#N	72960100	SLWBVCUUWOGFAE-ZDUSSCGKSA-N	302.378	1.238	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)c1ccc(C(C)(C)C)s1	124380600	YKJXCVFQDQKBQS-UHFFFAOYSA-N	311.407	1.331	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCO[C@H](Cc2ccccc2)C1	183572693	LIXJDSIXEGTQSY-CQSZACIVSA-N	319.405	1.717	50	20	DDGD	
C[C@H](NC(=O)OCc1ccccc1)C(=O)NNc1ccccn1	181206132	UEWGBNVSTAGZKZ-LBPRGKRZSA-N	314.345	1.840	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc[nH]2)nc(C(F)(F)F)n1	187489642	XWMADXGIDPGAQF-UHFFFAOYSA-N	313.239	1.207	50	20	DDGD	
CC[C@H](OC1CCCCC1)C(=O)NNc1ncnc2nc[nH]c12	133546470	MDUJMIDFNYCXFF-NSHDSACASA-N	318.381	1.924	50	20	DDGD	
O=C(NC[C@@H]1CCOC1)NNC(=O)c1ccc2ccccc2n1	47068746	BRXDHBPHZSXNTM-NSHDSACASA-N	314.345	1.215	50	20	DDGD	
Cn1cc(C(=O)C(=O)NNc2ccc(Br)cc2)cn1	195163047	MGSRCOUJYXPOGD-UHFFFAOYSA-N	323.150	1.509	50	20	DDGD	
Cc1cc(C(=O)CCC(=O)NNC(=O)C(C)(C)O)c(C)s1	190068603	SANBHJTWWQMSEP-UHFFFAOYSA-N	312.391	1.246	50	20	DDGD	
CCN1C[C@@H](C(=O)NNc2ccc(C(F)(F)F)cn2)CC1=O	132155454	WMWZGNFKSCNUTI-QMMMGPOBSA-N	316.283	1.412	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cccnc1Br	134600449	OHYREAPGWVPLLG-UHFFFAOYSA-N	300.156	1.651	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@H]2CCCN(C(C)C)C2)o1	84437597	DTPHQTLCQJBNIH-ZDUSSCGKSA-N	322.409	1.652	50	20	DDGD	
CC(C)c1noc(CCC(=O)NNC(=O)NC2CCCCC2)n1	192725380	JXCAQFBUTLWMNU-UHFFFAOYSA-N	323.397	1.789	50	20	DDGD	
O=C(CCN1CCCC1=O)NNc1ncnc2ccsc12	132716218	LCDCAUBGFKDKEV-UHFFFAOYSA-N	305.363	1.147	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](C)N(C)CC(F)(F)F)n1	193418720	XLMUNJUCFPHODZ-QMMMGPOBSA-N	321.303	1.119	50	20	DDGD	
C[C@H]1CCNC(=O)[C@H]1NC(=O)/C(C#N)=C\c1ccc(F)cc1	195149673	LPSDRUZVSVQWMU-SZVJIJLYSA-N	301.321	1.373	50	20	DDGD	
Cc1ccc(C)c(NC(=O)C(=O)NNc2cc(C)nc(C)n2)c1	130270533	NNDUUJPRDYMCBK-UHFFFAOYSA-N	313.361	1.792	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ncc(F)cc1F	192225548	LFEVHBNSARNABS-UHFFFAOYSA-N	321.283	1.372	50	20	DDGD	
O=C(NCC1CC1)C(=O)NNc1ccccc1Br	191930979	WBZZJHSQOIYVKD-UHFFFAOYSA-N	312.167	1.418	50	20	DDGD	
CC(C)Cc1nc(C(=O)NNC(=O)N2CCOCC2)cs1	194906216	BXWWYKHIERWAPU-UHFFFAOYSA-N	312.395	1.028	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1	246464356	AHLBIQFXLDXTDC-BTFPBAQTSA-N	310.357	1.547	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cc1	248385091	HDTATDAWTBQMQF-KCQAQPDRSA-N	313.357	1.521	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1ccccc1[N+](=O)[O-]	254711733	RXUJYAQCOGRQHI-UHFFFAOYSA-N	305.319	1.706	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccccc1C)N1CCCC1=O	266633034	VQFFTVUDQGJPRC-ZDUSSCGKSA-N	303.362	1.157	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NNc1nccnc1Cl	265152393	KUAQCZGXVOKZCN-BDAKNGLRSA-N	300.746	1.157	50	20	DDGD	
CCOc1cc(C(=O)N(C)C)ccc1NC(=O)NNC(=O)OC	267438473	FBKPMTBLYIQLJW-UHFFFAOYSA-N	324.337	1.180	50	20	DDGD	
COC(=O)c1ccnc(NC(=O)NNC(=O)CC(C)(C)C)c1	278108674	RMJWQPAPKOIFAG-UHFFFAOYSA-N	308.338	1.457	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C2CC2)csc1Br	274600099	KKVAITIMIIVSPL-UHFFFAOYSA-N	303.181	1.990	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ncc(C2CCCCC2)s1	276992076	GWZIURGWUZWCBY-UHFFFAOYSA-N	310.379	1.297	50	20	DDGD	
CCSCc1ccccc1C(=O)NNC(=O)N1CCOCC1	279291192	UNMDMPRYBAOBKE-UHFFFAOYSA-N	323.418	1.626	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(O[C@H]2CCOC2)cc1	276055661	PUMBIJUXYNDKRY-ZDUSSCGKSA-N	322.365	1.552	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(OC(C)C)cc1	274052809	JJKNPOIAYIUQFX-LLVKDONJSA-N	321.377	1.606	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H](CO)CC1CCC1	279915324	FTYKNOSXGGHGIT-CKNOQMABSA-N	300.358	1.966	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)c2cnn(C)c2)CCCCC1	273941681	DDOLMTMUJAGGMR-UHFFFAOYSA-N	307.398	1.725	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@H]1CCO[C@@H](C)C1	271250212	KFROTZKQRMENPW-AAEUAGOBSA-N	321.377	1.136	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2nccn2C1)c1c[nH]c2ccccc12	373635883	UCMPKCKNCCUYGY-NSHDSACASA-N	323.356	1.388	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C(C)(C)C)c1c(F)cncc1F	287471703	SDOGIDVXTDBSKG-SSDOTTSWSA-N	300.309	1.797	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2COc3ccc(F)cc3C2)n1	376850839	HBWAFOCDJJHOIQ-NSHDSACASA-N	317.320	1.924	50	20	DDGD	
CC1=C(C(=O)NNC(=O)OC(C)(C)C)[C@@H](C)n2ncnc2N1C	281637324	ZVWHEKPLXMAILR-SECBINFHSA-N	322.369	1.119	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(OCC(F)(F)F)c(F)c1	282317002	UJQDJWJTEVICLN-UHFFFAOYSA-N	309.219	1.939	50	20	DDGD	
CSSCCNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12	375229976	SJQAVNAXTIFSNI-GZMMTYOYSA-N	306.478	1.568	50	20	DDGD	
C[C@@H](Sc1ccccc1C(=O)NNC(=O)C1CCC1)C(N)=O	283224008	OHTSDQDKPRPYEL-SECBINFHSA-N	321.402	1.214	50	20	DDGD	
CCCC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	282780243	LHYXVQMGEMHMTB-GFCCVEGCSA-N	305.378	1.907	50	20	DDGD	
CS[C@H](C)CC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802102992	IHFOAOKCHXUYST-MRVPVSSYSA-N	311.363	1.710	50	20	DDGD	
COCc1nc(CNC(=O)NNC(=O)CC(C)C)cs1	291120965	HHFUWXHOQSCXGV-UHFFFAOYSA-N	300.384	1.166	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cnc(C2CC2)nc1N	807425759	BRPKWMJVSNGLQO-UHFFFAOYSA-N	313.365	1.607	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1c[nH]c2c(F)cc(F)cc2c1=O	806345799	AYEJXQFVUZJTBG-UHFFFAOYSA-N	323.299	1.613	50	20	DDGD	
CC(C)Oc1ncccc1C(=O)NNC(=O)c1cccnc1	806306881	UYNIJOGJNOIHFW-UHFFFAOYSA-N	300.318	1.339	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2c(Cl)cncc2Cl)O1	293985535	TYWOVQCQMDHDQY-RCOVLWMOSA-N	318.160	1.717	50	20	DDGD	
CO[C@H](C)c1nsc(NC(=O)NNc2cccc(F)n2)n1	809924256	JULGMRAJVWDBEN-ZCFIWIBFSA-N	312.330	1.928	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	294310309	JHILMCJANIXTTQ-ZDUSSCGKSA-N	321.377	1.204	50	20	DDGD	
CCOc1ncccc1NC(=O)C(=O)NNc1ncccc1F	807301099	VGJAVASKUBJNOI-UHFFFAOYSA-N	319.296	1.096	50	20	DDGD	
Cc1cc2c(cc1C)[C@@H](C(=O)NNC(=O)[C@@H]1CCCCO1)CO2	295600434	PWLNKYRJXOQKGI-KBPBESRZSA-N	318.373	1.496	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]32)cc1	294347894	NCWGZQYZAQQEJZ-NILFDRSVSA-N	306.362	1.580	50	20	DDGD	
COCCN(C)NC(=O)CCc1ccc(OC(F)F)cc1	293553055	HHHHGVYLWOPXGU-UHFFFAOYSA-N	302.321	1.830	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Cn2cc(Cl)cn2)cc1	806309338	RFWPQIJVWNEDCZ-UHFFFAOYSA-N	306.753	1.560	50	20	DDGD	
C[C@@H]1CN(CCC(=O)NNC(=O)C(C)(C)C2CC2)C[C@@H](C)O1	806339843	KNXJKRUNEZLWNT-VXGBXAGGSA-N	311.426	1.069	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2nccnc2C2CCC2)CCC1	805460612	YUKPPQHBNMAPOG-UHFFFAOYSA-N	318.377	1.921	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2ccc3c(=O)[nH]ccc3c2)CCCO1	806942355	SCZKVYLNZOZKLK-INIZCTEOSA-N	316.361	1.723	50	20	DDGD	
Cc1c(Cl)cncc1NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	297150610	SDVSPNUEOREFLK-CPCISQLKSA-N	312.757	1.764	50	20	DDGD	
N#Cc1ccsc1NC(=O)C(=O)NNc1ccccc1F	815571361	BJOLLTZRBUPLPC-UHFFFAOYSA-N	304.306	1.841	50	20	DDGD	
COCCN1[C@H]2CC[C@H]1CC(=NNC(=O)Cc1cc(C)[nH]n1)C2	814786896	GXISSCSOQZKGDK-GJZGRUSLSA-N	319.409	1.006	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cnn(C)c2Cl)cc1OC	814700619	YSDOMYAVVCNTJE-UHFFFAOYSA-N	322.752	1.855	50	20	DDGD	
COC(=O)c1cc(C(=O)NNC(=O)Nc2ccccc2)c[nH]1	816595256	HCRQBGZSLJSURJ-UHFFFAOYSA-N	302.290	1.268	50	20	DDGD	
COc1ccc(C(=O)NCCCC(=O)NN(C)C2CC2)cc1	819645227	CADKUUBYOCJFNW-UHFFFAOYSA-N	305.378	1.331	50	20	DDGD	
C[C@@H]1Oc2ccccc2[C@H]1NC(=O)NNC(=O)CC(F)(F)F	812430567	NIWJVQHOYCUQFE-CPCISQLKSA-N	317.267	1.791	50	20	DDGD	
O=C(Cc1cnn(-c2ccccc2)c1)NNc1ncncc1F	817080836	GJEUYEPYFAKYMC-UHFFFAOYSA-N	312.308	1.487	50	20	DDGD	
COCCOCc1ccc(C(=O)NNC(=O)NCC2CC2)cc1	812534663	OCWYBBHRTFXJIU-UHFFFAOYSA-N	321.377	1.204	50	20	DDGD	
Cn1nnc2cc(C(=O)NNc3cccc(Cl)n3)ccc21	817006563	OJDTWESFZWMOOK-UHFFFAOYSA-N	302.725	1.774	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)CC2CC2)cc1[N+](=O)[O-]	819103886	CDSKYLHTJLLPQZ-UHFFFAOYSA-N	307.306	1.555	50	20	DDGD	
COc1ccc(NNC(=O)c2nc(C)oc2C)c([N+](=O)[O-])c1	814317665	MZAJCIWZKAPZBC-UHFFFAOYSA-N	306.278	1.965	50	20	DDGD	
CN(C)c1noc(CNC(=O)NNc2cccc(F)c2F)n1	812219882	RXAJLKHOBVRPBA-UHFFFAOYSA-N	312.280	1.240	50	20	DDGD	
CC(CCc1ccccc1)=NNC(=O)[C@H](C)NS(C)(=O)=O	728436284	NFEYJYZUGHYEJC-LBPRGKRZSA-N	311.407	1.049	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc3ncccc23)CO1	827611924	HTTIBNHBVAQEQR-MNOVXSKESA-N	314.345	1.356	50	20	DDGD	
CCC[C@@H](C)C=NNC(=O)COc1ccccc1-c1nn[nH]n1	825234182	WYLWMCBRRZNQDU-LLVKDONJSA-N	316.365	1.784	50	20	DDGD	
COC(=O)Nc1ccc(C(=O)NN(C)[C@@H](C)CO)c(Cl)c1	823384199	DZVUVYXYRYRNBK-QMMMGPOBSA-N	315.757	1.476	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CN(C)CC(C)(C)C)nc1	821355462	ZQYIOKXPDFMBBX-UHFFFAOYSA-N	308.382	1.289	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCc2cc(C)on2)c(F)c1	822243155	LRFGLRZULCRRHI-UHFFFAOYSA-N	321.308	1.985	50	20	DDGD	
CCCn1nccc1C(=O)NNC(=O)COCc1ccccc1	828319259	KAINJLDKZCHBDR-UHFFFAOYSA-N	316.361	1.271	50	20	DDGD	
O=C(O)Cc1cccc(NC(=O)C(=O)NNc2ccccc2)c1	821537494	HLVKLZHWKWVTKH-UHFFFAOYSA-N	313.313	1.396	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N(C)[C@H]2CCCOC2)cc(C#N)n1C	490942193	NIEHMQZPYJOEBV-GSHXUFRSSA-N	312.373	1.750	50	20	DDGD	
C=CCC1(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)CCC1	496792988	KMVNOOIYJVUFAI-UHFFFAOYSA-N	311.382	1.405	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1oc(C(C)C)nc1C#N)C(C)C	491301711	JLAWZMUWCVQVTE-JTQLQIEISA-N	323.353	1.493	50	20	DDGD	
C[C@@H]1SCC[C@@H]1NC(=O)NNC(=O)Cc1ccc(F)cc1	827645172	WCLCSCGSLHXTBT-CABZTGNLSA-N	311.382	1.593	50	20	DDGD	
CC(C)C[C@@H]1C[C@H]1C(=O)NNc1nccc(N2CCOCC2)n1	826966724	TZBSMBSMLRLROE-CHWSQXEVSA-N	319.409	1.439	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)CCCc1ccccc1	827281330	HDUPPTLMLLNNGO-HIFRSBDPSA-N	319.405	1.717	50	20	DDGD	
COc1ccc(C(=O)O)cc1C=NNC(=O)[C@H]1CCCCO1	901250311	PXVVNQZJOBXPBO-CYBMUJFWSA-N	306.318	1.413	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@]2(C)C[C@H]2Br)o1	906932942	GTSPGHWIOAAOMB-LDYMZIIASA-N	301.140	1.523	50	20	DDGD	
CO[C@@H]1COCC[C@@H]1CNC(=O)[C@]1(C)C[C@@H]1Br	908671536	BEPJZEQTDHGWKS-MWGHHZFTSA-N	306.200	1.328	50	20	DDGD	
CC1(C)Cc2cccc(NCc3ccc(B(O)O)cc3F)c2O1	585038004	PICMXTLTCIKRNS-UHFFFAOYSA-N	315.153	1.831	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC[C@@H](CO)CC1	491005900	CLHKYECCLLOXCV-MFYHJKBNSA-N	300.358	1.920	50	20	DDGD	
Cc1cccc(OCCCNCc2ccc(B(O)O)o2)c1C	585038681	KGKCRVJOARWNDB-UHFFFAOYSA-N	303.167	1.135	50	20	DDGD	
C[C@H](CCc1cccn1C)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	826088160	LJLBZPHWPDXQMS-YRGRVCCFSA-N	322.409	1.102	50	20	DDGD	
CN(NC(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1)C1CC1	824232721	DJUHGXFAVQHZAR-UHFFFAOYSA-N	315.370	1.501	50	20	DDGD	
CCN(CCO)NC(=O)c1nn(-c2ccccc2)c2c1CCC2	823841851	LMCCARWNPPHJDU-UHFFFAOYSA-N	314.389	1.320	50	20	DDGD	
O=C(NCCOC[C@@H]1CCCO1)NNc1c(F)cccc1F	735756718	BAUJEPXFNDGMEL-JTQLQIEISA-N	315.320	1.787	50	20	DDGD	
Cc1ccccc1C(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CC1	731926029	HKHOBPYGCVJKJQ-CYBMUJFWSA-N	320.414	1.660	50	20	DDGD	
CC(C)C(=O)NNC(=O)CNC1(c2cccc(Cl)c2)CC1	828691412	CDHZTYJAAORLNA-UHFFFAOYSA-N	309.797	1.722	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21	905618909	QLWXZPLOIPWGCN-ZTFGCOKTSA-N	322.364	1.755	50	20	DDGD	
CCOc1ncccc1CNC(=O)/C(C#N)=C\c1cnn(C)c1	491157967	BPNFTFFWUHPTGM-AUWJEWJLSA-N	311.345	1.437	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)cc1	908274379	PPYKWPPWYGUJHM-DAXOMENPSA-N	316.357	1.000	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C[C@H]2C[C@H]3CC[C@H]2O3)cc1	836214880	WEQNLUJJQNCMMK-BPLDGKMQSA-N	318.373	1.479	50	20	DDGD	
CCOC(=O)[C@H](CCc1ccccc1)NNC(=O)c1cn[nH]c1	901570299	KJLPAJVGYZHNHG-AWEZNQCLSA-N	316.361	1.209	50	20	DDGD	
CC(C)C[C@@H]1C[C@H]1NC(=O)NNC(=O)COc1ccccc1O	838757999	PUYVBMDZYLFAMH-VXGBXAGGSA-N	321.377	1.536	50	20	DDGD	
CC[C@H](OC1CCCC1)C(=O)NNC(=O)NCCCOC	733140205	VMEQECLFVCIHTF-LBPRGKRZSA-N	301.387	1.091	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CNc1cccc(C(F)(F)F)c1	733141765	VSTAGJAYFOAAQI-UHFFFAOYSA-N	318.299	1.856	50	20	DDGD	
C[C@]1(CC(=O)NNC(=O)[C@@H]2CCCCO2)CC1(Cl)Cl	833236639	UEOAIPDFDHXXOU-KWQFWETISA-N	309.193	1.677	50	20	DDGD	
C[C@]1(C(=O)NCCOC[C@H]2CCOC2)C[C@@H]1Br	906635242	GMMCZUGHBFJPGT-NHCYSSNCSA-N	306.200	1.329	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCCOc1ccc([N+](=O)[O-])cc1	731595589	WWYJHWXPEFQCHM-ZHACJKMWSA-N	305.290	1.534	50	20	DDGD	
C[C@@H](CNC(=O)NN=c1sc2ccccc2n1C)N(C)C	836622305	SLHUOGGTHCZXNN-JTQLQIEISA-N	307.423	1.305	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1c(C)cc(Cl)cc1C	901584567	LIURLWYTFBYISW-UHFFFAOYSA-N	306.771	1.896	50	20	DDGD	
CC1CCN(CCCCNCc2ccc(B(O)O)cc2F)CC1	585015662	JEPCGSRLVFRISI-UHFFFAOYSA-N	322.233	1.107	50	20	DDGD	
CCC(=O)C1(C(=O)NNc2ccc(C(=O)OC)c(F)c2)CC1	837054461	ZZFCQPIMCBGGKR-UHFFFAOYSA-N	308.309	1.815	50	20	DDGD	
CC(C)[C@@H](NC(=O)O)C(=O)NNc1cc(F)c(F)cc1F	736373835	GGWQGJVSQONAHJ-SNVBAGLBSA-N	305.256	1.839	50	20	DDGD	
COc1ncc(C(=O)NNc2nc(-c3ccccc3)no2)cn1	733953567	FCCYHMXDRZKICU-UHFFFAOYSA-N	312.289	1.292	50	20	DDGD	
Cn1nnc2cc(C=NNC(=O)CCc3ccccc3O)ccc21	737431772	MTWYQJSSVKJJOD-UHFFFAOYSA-N	323.356	1.757	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)c2cccc3ncccc23)cn1	730225509	GMBIFJKPJOEONE-UHFFFAOYSA-N	316.320	1.686	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@H]1CCc2n[nH]cc2C1	838520804	PTFFJFPGCOMYEC-VIFPVBQESA-N	308.292	1.267	50	20	DDGD	
CC(C)[C@H]1C[C@H](CC(=O)Nc2cccc(B(O)O)c2)CCO1	584913869	KVOXKDAVCDWEGA-IUODEOHRSA-N	305.183	1.146	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=S)NC1CCOCC1	731321183	FVQQWAVSWWSTFG-UHFFFAOYSA-N	311.382	1.043	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccn(C(C)C)n1	733108568	NFAKTWJXHZWKRZ-UHFFFAOYSA-N	302.334	1.547	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1C[C@@H]2CC[C@H]1N2	912401655	QXPJKRDOVQRWKJ-IVZWLZJFSA-N	310.741	1.832	50	20	DDGD	
Cn1ccnc(NNC(=O)Nc2nc3ccccc3s2)c1=O	747870369	UINTWBWNPLBEMN-UHFFFAOYSA-N	316.346	1.539	50	20	DDGD	
COC[C@]1(CO)CCN(C(=O)[C@@H](Br)C(C)(C)C)C1	837083586	TUECPSWNTZINAG-ZWNOBZJWSA-N	322.243	1.653	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1	910162717	IVRMHCXGTYHZDP-LBPRGKRZSA-N	321.421	1.420	50	20	DDGD	
CCC(=NNC(=O)c1ccc2c(c1)OCCO2)[C@@H]1CCOC1	741847186	HUMKZLXTTBQZNM-GFCCVEGCSA-N	304.346	1.990	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccsc2)c1	744518869	PZMHRGYHPVDVRP-UHFFFAOYSA-N	318.354	1.675	50	20	DDGD	
C#CCOc1ccc(C(C)=NNC(=O)[C@H](C)OCCOC)cc1	748260753	XPBWTZKOIQACFZ-AWEZNQCLSA-N	318.373	1.590	50	20	DDGD	
COCCn1cc(C=NNC(=O)c2c[nH]c3ccccc23)cn1	743420738	HPKOXFRLVLUMQY-UHFFFAOYSA-N	311.345	1.775	50	20	DDGD	
CS(=O)(=O)c1ccc(C(=O)NNc2cccc(C#N)c2)o1	748031233	MJYJHRVMUOSNHV-UHFFFAOYSA-N	305.315	1.312	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21	743448131	ZRHBUPGVIRCMFJ-KLHWPWHYSA-N	316.361	1.359	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@H]1Cc2cc(F)ccc2O1	743317082	DCXHIDZTDUGVRL-SECBINFHSA-N	306.215	1.229	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc3c2OCO3)c(O)c1	918339974	YDUNUYCLQRCLIE-UHFFFAOYSA-N	314.297	1.504	50	20	DDGD	
C[C@H]1CN(C[C@@H](C)C(=O)NN=C2COC(C)(C)C2)C[C@@H](C)O1	841614021	DZAMSSCOHNASCM-UPJWGTAASA-N	311.426	1.403	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)OCCCN(C)C)cc(C#N)n1C	912592547	ORGMDWALTMUNRA-ZSOIEALJSA-N	300.362	1.607	50	20	DDGD	
COc1cc2c(cc1F)C(=NNC(=O)[C@H]1CCO[C@H]1C)C(=O)N2	842549839	RQHASFUVHJTAQM-YUMQZZPRSA-N	321.308	1.032	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccccc1F	843654556	GEVNZLSICULRTO-GDLVEWKHSA-N	324.352	1.260	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cnnn1-c1ccccc1	844569869	SIHFNRGULOPGGG-UHFFFAOYSA-N	314.393	1.449	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@H]1CCCN2CCCC[C@@H]12	848508668	PIQQHNZKZHJRJB-STQMWFEESA-N	308.875	1.942	50	20	DDGD	
C=CCC1(C(=O)NNc2ccccc2S(N)(=O)=O)CCCC1	842256862	JTODDAIBSUZRFU-UHFFFAOYSA-N	323.418	1.914	50	20	DDGD	
COC1(CC(=O)NNc2ncc(Br)cn2)CCC1	848322059	PCHKIWVSLKDVLQ-UHFFFAOYSA-N	315.171	1.641	50	20	DDGD	
CC(C)Cc1nc(C(=O)NNc2ccnc(N(C)C)n2)cs1	740113939	LSQHMZPNFBBIBA-UHFFFAOYSA-N	320.422	1.955	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)[C@H]2CCO[C@@H]2C)c(OC)c1	842555012	NEQDVKDKGVUKKV-RISCZKNCSA-N	306.362	1.969	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCCN1C[C@H](C)C[C@@H](C)C1	916460891	SGPXJHLLQWHDAA-ZIAGYGMSSA-N	312.458	1.731	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2cc(F)cc(OC)c2)ccn1	748907087	YIHNGDZDFWDXPM-UHFFFAOYSA-N	319.292	1.773	50	20	DDGD	
NC[C@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)C1CCCC1	841988318	UNONIKMQNWMEQP-AWEZNQCLSA-N	322.384	1.216	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C	748232277	OWVVJRVYXFMTLD-LLVKDONJSA-N	312.414	1.154	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1ccc2c(c1)OCCO2	748253091	JLSXLCLOWULMKA-LBPRGKRZSA-N	322.361	1.350	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNC(=O)[C@@H]1C[C@H]1C1CCC1	844362899	FXIKHZWRJSCQOL-WDEREUQCSA-N	321.402	1.062	50	20	DDGD	
C[S@@](=O)Cc1cccc(C(=O)NNC(=O)CC(F)(F)F)c1	918364281	NCPANZNYQGSXPY-OAQYLSRUSA-N	322.308	1.279	50	20	DDGD	
C[C@H]1CC[C@H](CCC(=O)NNC(=O)c2cccc(C#N)c2)O1	743335635	WTLWKQVVYRIOSW-SMDDNHRTSA-N	301.346	1.667	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1cccc(OC)c1	740762652	ARQZBPXBFWZBNO-UHFFFAOYSA-N	305.378	1.840	50	20	DDGD	
O=C(NN=Cc1cnc2cnccn12)c1ccc(Cl)nc1	746368547	FTVQZTUZMPFTQB-UHFFFAOYSA-N	300.709	1.542	50	20	DDGD	
CC[S@@](=O)CCNC(=O)NNc1ccc(Cl)cc1F	920083844	CPCOFWAJJYZZAG-LJQANCHMSA-N	307.778	1.874	50	20	DDGD	
CCN1CC[C@@H](NC(=O)NNc2ccc(Cl)cc2F)C1=O	922382847	ITOBENMCUMZOKT-LLVKDONJSA-N	314.748	1.726	50	20	DDGD	
Cc1ccc(F)c(OCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	843655726	WGFIZCVUUWOELM-GHMZBOCLSA-N	310.325	1.085	50	20	DDGD	
CC(C)Cn1cc(C(=O)NNC(=O)c2cccc(F)n2)cn1	856422854	FFUBRGPSDMZULD-UHFFFAOYSA-N	305.313	1.148	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)/C=C\c1ccco1	855829523	WORQVAASLSUEED-HJWRWDBZSA-N	321.377	1.383	50	20	DDGD	
O=C(NN=Cc1ccc(O[C@H]2CCOC2)cc1)c1cc[nH]n1	853391643	VCKDBFRBLZWACS-ZDUSSCGKSA-N	300.318	1.341	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(N(C)C)c2ccccc2n1	854920908	KHWHJDFVRYJYDZ-UHFFFAOYSA-N	317.418	1.382	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC2CC=CC2)cc1OC	858117363	LJLZCQFNUSEMBZ-UHFFFAOYSA-N	319.361	1.614	50	20	DDGD	
CCOC(=O)[C@H](CC(=O)NNc1ccnc(Cl)c1)C(C)=O	855466097	GLOURTNSGZDOGW-SNVBAGLBSA-N	313.741	1.337	50	20	DDGD	
C[C@H](CCc1cccc(F)c1)C(=O)NNC(=O)c1cc[nH]n1	855357578	LWDXOCYHMHANNZ-SNVBAGLBSA-N	304.325	1.579	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)OC[C@@H](CBr)C1CC1	859493559	GVVOBEXZFCCFPZ-WCBMZHEXSA-N	306.200	1.865	50	20	DDGD	
C[C@]1(CNC(=O)c2ccc3nnnn3c2)C[C@H]1Br	857689391	KTYPHAWJCQWUOP-LDYMZIIASA-N	310.155	1.028	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2cnc3ncccn23)cc1C	755503670	CUCGWAPBFWCFSZ-UHFFFAOYSA-N	323.356	1.875	50	20	DDGD	
C[C@@H](C(=O)NNc1cccnc1Cl)n1nnnc1C(C)(C)C	758318605	OCINMUQUEYQTLV-QMMMGPOBSA-N	323.788	1.723	50	20	DDGD	
CCC(=O)NNC(=O)CCCCCNC(=O)OC(C)(C)C	855861084	OWSAOOUQYWSBJU-UHFFFAOYSA-N	301.387	1.629	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cnc1Cl	853388616	LEZBOVLDFVASIL-OLZOCXBDSA-N	322.796	1.357	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H]2COC[C@@H]2C)cc1F	926020387	SYGITGQBDCMJHL-QPUJVOFHSA-N	311.313	1.273	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C(C)C)N1C[C@H](C)O[C@@H](C)C1	921202960	MREFISMOAZGSOO-YDHLFZDLSA-N	313.442	1.314	50	20	DDGD	
CNc1nnc(CC(=O)NC[C@@]2(C)C[C@H]2Br)s1	857732723	CKOQEWOOCCBVLG-LHLIQPBNSA-N	319.228	1.412	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NC[C@@H]1CCCN1CC(F)F	858746941	KWQAYSNMWYPLGB-JTQLQIEISA-N	320.384	1.483	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2ccc[nH]2)n2c1CCCC2	857207869	LPHIUYMMFMOMKK-UHFFFAOYSA-N	314.345	1.703	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2ccc3c(c2)OCCO3)CN1C1CC1	753954678	HOIHAFWMZDUUQH-LLVKDONJSA-N	315.373	1.800	50	20	DDGD	
COCCOCCCCNC(=O)NNc1ncc(Cl)cn1	856854494	MXFUZJWUSOONPE-UHFFFAOYSA-N	317.777	1.199	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1scnc1C	758387621	PPFCUFWJNVYVQT-UHFFFAOYSA-N	303.347	1.325	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@@H](O)CCc1ccccc1	855001072	TWPJZFJXBMZEGX-JTQLQIEISA-N	304.268	1.080	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)C(C)(C)C)c1cncnc1C	853406921	YMFDGBCOYBJEPF-UHFFFAOYSA-N	319.409	1.568	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H]2CCCc3c[nH]nc32)c1	858706529	VMTIYHQTSODEQW-JTQLQIEISA-N	319.390	1.801	50	20	DDGD	
O=C(CCN1CCCCCC1)NN=Cc1ccc(CO)cc1	853276748	HZARBGBGKGOSQP-UHFFFAOYSA-N	303.406	1.895	50	20	DDGD	
COCC(=NNC(=O)c1cccc(Cl)n1)C1CCOCC1	853412335	ZWPUBJJVGSQNGA-UHFFFAOYSA-N	311.769	1.894	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Cn2ccc3ccccc32)n1	752310591	NXNUAPXHDQHOKM-UHFFFAOYSA-N	324.340	1.506	50	20	DDGD	
Cc1cnc([C@H](C)CNC(=O)NNC(=O)CC(F)(F)F)s1	758774373	HEOVKSVMNGQFCH-ZCFIWIBFSA-N	324.328	1.838	50	20	DDGD	
COCC(=NNC(=O)Cn1c(C)nc2ccccc21)C1CC1	754253806	GQJITEVCIUJRAU-UHFFFAOYSA-N	300.362	1.873	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H](C(C)C)N2CCCC2=O)c1	862477020	DGOLJVRKQDWUHN-CYBMUJFWSA-N	323.418	1.465	50	20	DDGD	
COc1ncc(C)cc1NC(=O)NNc1nccnc1OC	764680151	ZJMOAMWXCIZVJS-UHFFFAOYSA-N	304.310	1.346	50	20	DDGD	
CC(=O)Nc1c(C)cccc1C(=O)NNc1ncc(F)cn1	762099673	SIWCZYINOMJLPQ-UHFFFAOYSA-N	303.297	1.639	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)CNc1cccc(OC)c1)C1CC1	863854856	DDMWIKFVNXBWPM-OAHLLOKOSA-N	321.377	1.070	50	20	DDGD	
Cc1c(N)cccc1NC(=O)C(=O)NNC(=O)CC1CCCC1	861500027	YPMPQBRCZVYBCG-UHFFFAOYSA-N	318.377	1.243	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OC[C@@H]1CC2(CC2)C(=O)O1	763195571	LQGBQXHTZURBAY-VDBIKXPHSA-N	313.309	1.938	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNc2ncc(F)cn2)nc1C	760914667	SADCMIVCXAYMJU-UHFFFAOYSA-N	319.296	1.253	50	20	DDGD	
CC(C)(C)[C@@H](O)C(=O)NNC(=O)CSc1ccccc1O	765250484	UVFMPBXRAMTGBO-LBPRGKRZSA-N	312.391	1.039	50	20	DDGD	
CCc1ccc(C(=O)NN=C(C)c2cc(C(N)=O)n(C)c2)cc1	767112085	SGIKVUJPCLNOFE-UHFFFAOYSA-N	312.373	1.840	50	20	DDGD	
COC(=O)CSCCNS(=O)(=O)CC(C)(C)CCl	866742577	QVIIREZCVJOSIM-UHFFFAOYSA-N	317.860	1.077	50	20	DDGD	
COc1cc(C(=O)NN[C@@H](C)C(F)(F)F)ccc1[N+](=O)[O-]	862308610	GJDHMDSMUFWKIH-LURJTMIESA-N	307.228	1.789	50	20	DDGD	
Cc1nn(CC(F)F)c(C)c1C(=O)NN[C@@H](C)C(F)(F)F	862317184	FOGOQQRPAWSGCE-ZETCQYMHSA-N	314.258	1.950	50	20	DDGD	
COC(=O)N(C)NC(=O)CCCc1ccc2c(c1)OCCCO2	861656460	MUUCGJPMVRRCCW-UHFFFAOYSA-N	322.361	1.900	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN[C@H](c2ccc(O)cc2)C1	870085701	PSSWFDFASZSGOX-FQNOHDAGSA-N	301.346	1.309	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1ccnn1CC1CC1	776034481	QBRBAUDZDIXJDD-UHFFFAOYSA-N	305.260	1.398	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc(C)c1[N+](=O)[O-]	771846701	RTYZOECWIMWBBB-VIFPVBQESA-N	323.305	1.006	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccn(C(F)F)n1	775787054	OYXJTJDUUWCUSA-UHFFFAOYSA-N	303.338	1.187	50	20	DDGD	
CCOCC(C)(C)CNC(=O)NNC(=O)c1ccc(OC)cc1	1117693072	RVDHKBABUNTGOH-UHFFFAOYSA-N	323.393	1.702	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CCO[C@H](C)C2)cc1C	773189609	JHMPJRMAJSSWEL-GFCCVEGCSA-N	303.362	1.913	50	20	DDGD	
N#CCc1ccccc1CC(=O)NNc1ccc(Cl)nn1	777522934	DQKLWISDWKSBMT-UHFFFAOYSA-N	301.737	1.882	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CN2CCCC3(CC3)C2)c1	770700942	NOOWIVAZCRWZJZ-UHFFFAOYSA-N	312.373	1.195	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCn1c(C)nc2ccccc21	875018162	IKERBBMENQBYEC-UHFFFAOYSA-N	305.338	1.257	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H]1CCCN1C1CCCCC1	875557229	ZUZKJEBVFWRENZ-ZDUSSCGKSA-N	312.414	1.696	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCCC[C@@H]1N1CCCCCC1	779821102	NSEORRJXFSJKGK-AWEZNQCLSA-N	324.425	1.633	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2ccnc(C)n2)cc1	776494025	XMFMMXLFBOUIIS-UHFFFAOYSA-N	315.333	1.325	50	20	DDGD	
COC(=O)c1cnc(C(=O)NNc2cc(C)cc(C)c2)cn1	779675629	WHLIZVSOKMYVEC-UHFFFAOYSA-N	300.318	1.637	50	20	DDGD	
COc1ccc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)cc1	771888912	ILEAXMIILWBRFD-LLVKDONJSA-N	322.361	1.434	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)C2(F)CCCC2)nc2ccccc21	771875415	TUVIRIXFVSCPFH-UHFFFAOYSA-N	318.352	1.546	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CSc2ccccc21)C1CCOCC1	883064009	LGVKXGOWMLATHU-GFCCVEGCSA-N	306.387	1.450	50	20	DDGD	
Cc1coc2ccc(NC(=O)NNC(=O)c3cnccn3)cc12	776085661	SAZZDGCFPKTMEG-UHFFFAOYSA-N	311.301	1.998	50	20	DDGD	
Cc1cc(O)cc(=O)n1CC(=O)OC[C@H](C)CBr	770393314	UQSUMLJBKURICI-MRVPVSSYSA-N	318.167	1.437	50	20	DDGD	
COc1cccc([C@H](O)C(=O)NNc2nccnc2C(C)C)c1	772889295	MGHTYKMRMCMGPA-AWEZNQCLSA-N	316.361	1.785	50	20	DDGD	
C=CCOc1cccc(NC(=O)C(=O)NNc2ncccn2)c1	773718054	AIAHAKPOTFCQNF-UHFFFAOYSA-N	313.317	1.123	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C(F)(F)c1ccccc1	772010953	ZFZFSAYIKSTBHH-VIFPVBQESA-N	314.288	1.268	50	20	DDGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2ccncn2)c1C	779380049	KMGAPYBZGSJXBE-UHFFFAOYSA-N	321.344	1.702	50	20	DDGD	
O=S(=O)(CCCCl)NCc1ccc(OCC2CC2)nc1	881847097	ZTZHDEFSWVWFTD-UHFFFAOYSA-N	318.826	1.919	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N(CC(N)=O)C1CCCC1	787023519	CCRKGXODLIAGCS-LCYFTJDESA-N	313.357	1.556	50	20	DDGD	
CCC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1)c1cn[nH]c1	788977518	PUZRBRZOJCWDDM-AGIUHOORSA-N	321.425	1.385	50	20	DDGD	
O=S(=O)(CCCCl)N[C@H]1COc2ccccc2[C@@H]1O	882201505	UDQQOKSKZMBVAZ-JQWIXIFHSA-N	305.783	1.029	50	20	DDGD	
CCN(CCc1ccccc1)C(=O)NNC(=O)c1cccnn1	883850465	XZAHDTGKQOVYLX-UHFFFAOYSA-N	313.361	1.396	50	20	DDGD	
O=S(=O)(CBr)N[C@@H]1C[C@@H]1c1cccc(F)c1	782424826	IXEPISHJWNKDGJ-NXEZZACHSA-N	308.172	1.953	50	20	DDGD	
C#CCOCCNC(=O)NNC(=O)NCc1ccc(Cl)cc1	784546980	ZMFRBZXMXMBCGZ-UHFFFAOYSA-N	324.768	1.003	50	20	DDGD	
CN(NC(=O)c1cc([C@H]2CCCN2C)[nH]n1)C(=O)OC(C)(C)C	897966685	TYJZXNCKEZORRD-GFCCVEGCSA-N	323.397	1.688	50	20	DDGD	
CCn1nccc1NC(=O)C(=O)NNc1cc(C)cc(C)c1	783355480	HITJWGBZCWPREQ-UHFFFAOYSA-N	301.350	1.602	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1CCCCS1	783033591	LOSNQSUOBKDYEO-NSHDSACASA-N	318.402	1.689	50	20	DDGD	
N#CCOc1ccccc1C(=O)NNc1ncncc1Cl	781834399	XWCZLZKFDDOOFA-UHFFFAOYSA-N	303.709	1.789	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NC[C@@H]1CCCN1CC(F)(F)F	899237449	ZNEBLBWEMUPBNC-BRNRAETOSA-N	305.300	1.573	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCC(=O)NCC(=O)c1ccccc1	786666019	LICDNFCCPZYXPG-RIYZIHGNSA-N	312.325	1.389	50	20	DDGD	
CN(C)c1cc(C(=O)NN=C2COCc3ccccc32)ccn1	782229164	KZMAIILURFGNBZ-UHFFFAOYSA-N	310.357	1.812	50	20	DDGD	
COC1(C=NNC(=O)Cc2cn3ccccc3n2)CCCC1	790166798	CEYVGJCJHPZIEM-UHFFFAOYSA-N	300.362	1.938	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc(-n2ccnc2)cc1	899992051	LDCDONBDJUJUFW-UHFFFAOYSA-N	317.418	1.780	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2cn(C(C)(C)C)nn2)c(O)c1	790158148	UJRCBBVIQUWRRX-UHFFFAOYSA-N	301.350	1.811	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)C(=O)c1ccccc1	792024001	YAPWYDFZMULVFV-UHFFFAOYSA-N	321.336	1.741	50	20	DDGD	
CCc1ccc(C(=O)NNS(=O)(=O)c2ccsc2)cc1	795284235	PAKBRDRIAWVRFD-UHFFFAOYSA-N	310.400	1.934	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cccc2c1O[C@@H](C)C(=O)N2	791226207	YLRBLQQCNBSFDV-JTQLQIEISA-N	312.329	1.866	50	20	DDGD	
Cc1cccnc1NNC(=O)c1csc(S(C)(=O)=O)c1	791224985	YWSJLAHDLSBMKW-UHFFFAOYSA-N	311.388	1.612	50	20	DDGD	
Cc1ncncc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	1317862460	COXUBEVDLFHOJV-SNVBAGLBSA-N	318.308	1.153	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCc2ccnc(C)n2)cc1	1324647265	UCSSEUJSIAWPRK-UHFFFAOYSA-N	314.345	1.187	50	20	DDGD	
COCCn1cc(C(=O)NNc2cccc(F)n2)c(=O)cc1C	1326430877	OKADNCDVYKSUCX-UHFFFAOYSA-N	320.324	1.094	50	20	DDGD	
Cc1nnc(C(=O)NNc2nnc(-c3ccccn3)s2)s1	1320651769	ZRTIIXNSLZOSER-UHFFFAOYSA-N	319.375	1.517	50	20	DDGD	
Cc1nnc(O)c(CNC(=O)/C(C#N)=C/c2ccc(O)cc2)c1C	1320917134	UMIYTYNSNVOMBJ-NTUHNPAUSA-N	324.340	1.728	50	20	DDGD	
N#CCOc1cccc(CNC(=O)NNC(=O)C2CCCC2)c1	1321077107	ZJQLUYGGKPCQTA-UHFFFAOYSA-N	316.361	1.610	50	20	DDGD	
C=C/C=C/CCNC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1331794991	GPWOUFYTZKOKLX-OXRXFNFQSA-N	315.211	1.525	50	20	DDGD	
O=C(NN=Cc1cccc2c1OCCCO2)C1CCOCC1	1330902663	ISULMEQOWJKAID-UHFFFAOYSA-N	304.346	1.725	50	20	DDGD	
CC(C)CCCNC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1334674412	WPZYLSKCBSUDIR-GWCFXTLKSA-N	319.243	1.829	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cc[nH]n2)cnn1C1CCCC1	1261773833	LXHPSYYEYYYHAQ-UHFFFAOYSA-N	302.338	1.105	50	20	DDGD	
Cc1cnc([C@@H](C)NC(=O)NNC(=O)C2CCOCC2)s1	1262032120	KWQYQNJAYAUGKC-SECBINFHSA-N	312.395	1.270	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@]1(c2ccccc2)CC1(C)C	1347918670	VUZAUIQWGSSVRR-YEWDVWPNSA-N	316.401	1.927	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccn(CCC(F)(F)F)n1	1348713417	WVRFOPNGOKUUIR-UHFFFAOYSA-N	307.276	1.188	50	20	DDGD	
COc1nn(C)cc1C(=O)OC[C@]1(C)C[C@H]1Br	1263536773	FFHVJCZTZFCWKA-KCJUWKMLSA-N	303.156	1.759	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)Cc2cccnc2)c(Cl)n1	1344761942	RZGRKAKCZRWUEK-UHFFFAOYSA-N	319.752	1.834	50	20	DDGD	
C=CCCC[C@H](N)C(=O)NNc1ncc(Br)cn1	1340575095	YBUHAAHZBLMYQF-VIFPVBQESA-N	314.187	1.366	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H]2CCCN2CC(C)C)c1	1353751953	GEBFAPSRUUZWTP-GFCCVEGCSA-N	309.435	1.938	50	20	DDGD	
COC1(OC)CC(NC(=O)NC[C@]2(C)C[C@@H]2Br)C1	1351220944	CSQSKKGWNMDYLM-ONGXEEELSA-N	321.215	1.611	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ccc(CC(=O)O)cc2)s1	1601163073	YWSSYEXQSBFEHO-UHFFFAOYSA-N	319.342	1.231	50	20	DDGD	
Cn1ncc(C2CC2)c1C(=O)NNc1cccc(C(=O)O)c1F	1601025738	POYVIHJBROOQIS-UHFFFAOYSA-N	318.308	1.892	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCC(=O)Nc1cccc(C(=O)O)n1	1601045118	HJZLJARSZBENRR-UXBLZVDNSA-N	315.285	1.121	50	20	DDGD	
O=C(CCc1ocnc1C(=O)O)NNc1cccc(F)c1F	1601296612	HVIFYFJOJFLEJP-UHFFFAOYSA-N	311.244	1.727	50	20	DDGD	
O=C(CCn1cncn1)NNc1ccc(C(=O)O)c(Cl)c1	1601300531	GMXVAKBBGKTRGF-UHFFFAOYSA-N	309.713	1.163	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNc1cccc(C(=O)O)c1F	1603768409	QJNWUUGYUCFRDV-VIFPVBQESA-N	311.313	1.115	50	20	DDGD	
Cc1cc(NC(=O)NNc2cccc(C(=O)O)c2F)n(C)n1	1600272002	WILGTMMEUKCIFI-UHFFFAOYSA-N	307.285	1.714	50	20	DDGD	
N#Cc1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)co1	1601087483	HQLSPFJLWIHWKE-UHFFFAOYSA-N	302.198	1.977	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C[C@H](C)CC(=O)O)c1	1600389666	NSEDDNHUNVGAIW-NSHDSACASA-N	322.361	1.331	50	20	DDGD	
Cc1csc(NC(=O)C(=O)NNc2ccccn2)c1C(=O)O	1607933809	XNKWEBFLCBZJMV-UHFFFAOYSA-N	320.330	1.232	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(C(=O)O)cn1)N(C)CC(F)(F)F	1609635821	JBLPGXYMIBJEFM-SSDOTTSWSA-N	320.271	1.106	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCc1ccc(C(=O)O)o1	1610618130	AVECWHBTQCJXRC-YRNVUSSQSA-N	312.281	1.907	50	20	DDGD	
O=C(NN=Cc1ccc(C(F)F)nc1)[C@H]1CN2CCC[C@@H]2CO1	1549905976	WLPCLSZKJURRRR-DGCLKSJQSA-N	324.331	1.333	50	20	DDGD	
CN(C)CC[C@@H](N)C(=O)NNc1ccc(C(F)(F)F)cc1	1578415376	NTFBVPWIVZGKSG-LLVKDONJSA-N	304.316	1.428	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2ccccc2N)cn1	1579230644	ULHWKSUEFRRDCJ-UHFFFAOYSA-N	317.374	1.304	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cccc(C(=O)O)c1OC	1588435217	HIIALLWNYVDGGE-UHFFFAOYSA-N	319.317	1.350	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846387588	ODZBKYQNQNJJPZ-ZETCQYMHSA-N	317.575	1.528	50	20	DDGD	
N#C/C(=C/c1cnccn1)C(=O)c1cccc(-c2nn[nH]n2)c1	1592662548	REJAYYQACCEYOD-GHXNOFRVSA-N	303.285	1.447	50	20	DDGD	
Cn1ncc(NC(=O)NNc2ncccc2C(=O)O)c1Cl	1594586742	PEHAFVFLYAAVBU-UHFFFAOYSA-N	310.701	1.315	50	20	DDGD	
COC1(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCCCC1	1591336908	VUIHNHGPSQSVKC-UHFFFAOYSA-N	316.365	1.659	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)C[C@H]1Br	1594021793	LWHMOZQAXAGVDJ-FNOROQBZSA-N	304.184	1.777	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H]1CC[C@@H](CCC(=O)O)O1	1592038998	GBUPLNYWSWLYCC-WDEREUQCSA-N	322.365	1.456	50	20	DDGD	
CC[C@H]1CCC[C@@]1(C)C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1590506088	CMOSRXZMQOIKOO-XHDPSFHLSA-N	315.381	1.921	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=Cc2cnc3cnccn23)c1	1776095436	YJUCAKLWOAVBLE-UHFFFAOYSA-N	309.285	1.191	50	20	DDGD	
CCNC(=O)NN=Cc1cccc(Br)c1C(=O)O	1776039255	AYCUJSFPPMCNSU-UHFFFAOYSA-N	314.139	1.800	50	20	DDGD	
C/C=C/C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](Cl)CC)CCO2	1783061993	BWCMWPWZLFHRGL-MOEUOMFESA-N	314.813	1.410	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1sc2c(c1C(N)=O)CCC2	15575597	XFUJAPOYGMHYAD-BQYQJAHWSA-N	305.359	1.718	50	20	DDGD	
COc1cc(/C=C(\C#N)C(=O)NC2CC2)cc([N+](=O)[O-])c1O	16439120	XMDSQGTXXZBKPU-RUDMXATFSA-N	303.274	1.495	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccoc2)cc1	18071818	IPQSXRUJLYYIDR-LLVKDONJSA-N	318.329	1.907	50	20	DDGD	
COc1cccc(CC(=O)NNC(=S)Nc2ccccn2)c1	161879856	AVAZYVXXUNAFPE-UHFFFAOYSA-N	316.386	1.651	50	20	DDGD	
COc1ccnc(NNC(=O)NCCc2ccncc2C)n1	163892369	GDFLDVMUUTVMLZ-UHFFFAOYSA-N	302.338	1.057	50	20	DDGD	
CS[C@@H](C)CC(=O)NNC(=O)Cc1nc2ccccc2n1C	155404270	AZBMKFRLDZDNCU-JTQLQIEISA-N	320.418	1.405	50	20	DDGD	
CCCC(=O)N1CSC[C@H]1C(=O)NNc1ccc(C#N)cc1	155438726	ZXDROTZAYUBDQY-ZDUSSCGKSA-N	318.402	1.703	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1ccncc1Cl)C(C)C	154541749	LBAQIQSWLDNUDW-JTQLQIEISA-N	300.746	1.559	50	20	DDGD	
CC(C)N(CCNS(=O)(=O)CBr)C(C)C	126656039	NQRUSIMPYCYEAL-UHFFFAOYSA-N	301.250	1.377	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)NCc1ccco1	102637898	LTSLWTIBNXPQAN-UHFFFAOYSA-N	313.317	1.000	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNC(=O)CC(C)(C)C)ccc1F	103196700	CRQKNQVKUVPLTD-UHFFFAOYSA-N	309.341	1.981	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)c2cc(C)on2)cc1OC	58054478	FKZIOUDORJTRDN-UHFFFAOYSA-N	319.317	1.465	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(F)c1	119157579	LLJDDCGPZCCFSD-UHFFFAOYSA-N	318.264	1.816	50	20	DDGD	
CCOCCCN1CC[C@H](N/C=C(/C#N)C(=O)OCC)[C@H](C)C1	115311558	VOFGNTVFQUYVSA-USTAHWGDSA-N	323.437	1.684	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNC(=O)CNc1ccc(OC)cc1	65618116	YSXMINHDQOZOFC-LBPRGKRZSA-N	323.393	1.460	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc(Cc2ccccc2)ccc1O	179485822	BRCGRXJJGHJWSE-UHFFFAOYSA-N	313.357	1.899	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)COCCOc1ccccc1	58836022	MLLUXZXROAHYPY-UHFFFAOYSA-N	310.350	1.638	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NCC2CCC2)cc1	56712985	CIEGRHISJZAKHQ-UHFFFAOYSA-N	305.378	1.758	50	20	DDGD	
C[C@@]1(COC(=O)CNC(=O)N2CCCC2)C[C@@H]1Br	1344037595	QHDYQUOWXDJOQI-CABZTGNLSA-N	319.199	1.509	50	20	DDGD	
Cc1nnc(NNC(=O)c2ccc(Cl)cc2Cl)nc1O	29066746	UMSSHMSWOLKHRE-UHFFFAOYSA-N	314.132	1.949	50	20	DDGD	
Cc1csc(CCCCNC(=O)NNc2cccnn2)n1	172497112	OMYGEAGYDVWLLB-UHFFFAOYSA-N	306.395	1.891	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc(C#N)cc2)c1[N+](=O)[O-]	61464765	QWUIPHBKTNUZFU-UHFFFAOYSA-N	324.296	1.850	50	20	DDGD	
Cc1nc2nc(N)nn2c(C)c1CC(=O)NNc1ccccc1	111554393	NVOQCFLFSRMROO-UHFFFAOYSA-N	311.349	1.009	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](C)Cc1cccc(F)c1	110758202	XIRRIXXHWMBYKQ-VIFPVBQESA-N	304.325	1.497	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NNc1nccnc1Cl	172288340	PQCPZIWDEUCBOX-KCJUWKMLSA-N	320.736	1.802	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cn2ccc3ccccc32)n1C	170899279	NWVMKCRVNWOGJR-UHFFFAOYSA-N	310.357	1.749	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	66307510	HMWBCUSKKISDIH-RYUDHWBXSA-N	324.352	1.722	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2ccccc2O)c(C)n1	186530778	HOKPTEGEHVYZSO-UHFFFAOYSA-N	300.318	1.871	50	20	DDGD	
N#C/C(=C\c1cc(F)c(O)c(F)c1)S(=O)(=O)NC1CC1	188036220	BTECSROWNMJGPC-YCRREMRBSA-N	300.286	1.617	50	20	DDGD	
CCC[C@@H]1C[C@H](C(=O)NNc2nc(C)cc(OC)n2)CCO1	184108720	POIIOCBVFFGUNY-VXGBXAGGSA-N	308.382	1.832	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNC(=O)COc1ccc(F)cc1	182602648	BTPZWIBDXMFUNQ-LLVKDONJSA-N	312.341	1.415	50	20	DDGD	
CCc1c(C(=O)NN(C)C(N)=O)cnn1-c1ccc(OC)cc1	186296007	WVNLUNCHXCKCGB-UHFFFAOYSA-N	317.349	1.099	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)COc2ccc(C#N)cc2)cn1	79949039	OLQPLDHKWMCANJ-UHFFFAOYSA-N	324.340	1.031	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H]2COc3ccc(F)cc3C2)n1	120424113	VFXVTHCAFINYJZ-GFCCVEGCSA-N	316.336	1.927	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@H]1CCN(c2ccccn2)C1	154821455	GDGXPBYLZASOJK-LBPRGKRZSA-N	317.842	1.599	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cccc(C)c2O)cc1	128582677	PYPHPXTUALZPFZ-UHFFFAOYSA-N	314.341	1.849	50	20	DDGD	
C[C@@H](CC1CCCC1)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	74414722	JTPMDVMHKQDKCR-JSGCOSHPSA-N	316.467	1.695	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)CSc2nnnn2C2CC2)c1	127883082	RNEOOVMMBQFFBC-UHFFFAOYSA-N	318.406	1.860	50	20	DDGD	
Cc1nc2n(n1)C[C@@H](NC(=O)NNc1c(C)cccc1F)CC2	185330641	ANAPPWDGPWBEMQ-NSHDSACASA-N	318.356	1.675	50	20	DDGD	
CC(=O)NNC(=O)Cc1ccc([N+](=O)[O-])cc1Br	120947024	HMBMYFIYVJKYNU-UHFFFAOYSA-N	316.111	1.067	50	20	DDGD	
Cc1cn(-c2ccccc2)nc1C(=O)NNC(=O)c1ccncc1	184712469	WGDTYSLCTIMILZ-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
Cc1onc(-c2ccccn2)c1C(=O)NNC(=O)c1cccnc1	133660298	KTYLQSLRUIXHHJ-UHFFFAOYSA-N	323.312	1.515	50	20	DDGD	
C=C[C@](C)(CC)C(=O)NNc1nc2ccccc2c(=O)n1C	135045504	NMTFICXFDMLINV-MRXNPFEDSA-N	300.362	1.979	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NN(C)C(N)=O)c1C	182642088	CEKHVSBTCRLUAC-MDWZMJQESA-N	303.366	1.464	50	20	DDGD	
C[C@@H](NC(=O)C(C)(C)C)C(=O)NNc1ccccc1[N+](=O)[O-]	73765486	SMNUKBMBCFQQKO-SECBINFHSA-N	308.338	1.589	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)NCC(F)(F)F)c1	46916809	XZNKTZYDDSIJHV-UHFFFAOYSA-N	319.283	1.575	50	20	DDGD	
Cc1[nH]ncc1CCCNC(=O)NNC(=O)c1ccccc1F	45539783	BEXZIRMLMKOQKW-UHFFFAOYSA-N	319.340	1.434	50	20	DDGD	
CC(C)NC(=O)NNS(=O)(=O)c1ccc(F)c(F)c1F	49463434	PYAALHYLBGBUJH-UHFFFAOYSA-N	311.285	1.005	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(C#N)[nH]2)c([N+](=O)[O-])c1	133695852	UAWOTNFNRJWMOX-UHFFFAOYSA-N	301.262	1.560	50	20	DDGD	
Cc1cc2c(cc1C)[C@@H](C(=O)NNc1nc3ccccn3n1)CO2	191887760	SXGKXLOVCDDUPA-ZDUSSCGKSA-N	323.356	1.965	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H]2CCCc3c(O)cccc32)n1	190105530	QQIZLUPLKNIZFE-LBPRGKRZSA-N	314.345	1.754	50	20	DDGD	
Cc1cc(C)nc(NC(=O)C(=O)NNc2cccc(F)c2)c1	194025956	JCPBALDHGHYFSN-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
Cc1ccccc1-n1ncc(C(=O)NNC(=O)c2ccc[nH]2)c1C	97218501	OLYPYIWJUFQVLM-UHFFFAOYSA-N	323.356	1.892	50	20	DDGD	
CCC1(CC)[C@@H](OC)C[C@H]1N(C)CC(=O)NNC(=O)C1CC1	140732362	HYRUPDDFJFRIDZ-OLZOCXBDSA-N	311.426	1.069	50	20	DDGD	
CCCN1CC[C@@H](CNC(=O)NNc2ccc(Cl)nn2)C1	97257760	UDYHCKNNXYPBAS-JTQLQIEISA-N	312.805	1.488	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)O1	268266170	GDGMQEWYFJRQFS-NWDGAFQWSA-N	307.306	1.313	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H](C)N1CCSCC1	269673964	JEJWXISAPPJZCS-GFCCVEGCSA-N	307.419	1.193	50	20	DDGD	
C#CCSCCNC(=O)NNC(=O)COc1ccc(C)cc1	265795043	JDNZWGFDUHWSEP-UHFFFAOYSA-N	321.402	1.071	50	20	DDGD	
CC(=O)c1cccc(O[C@H](C)C(=O)NNC(=O)C2CCC2)c1	264672899	HFRRVZANSFZCIG-LLVKDONJSA-N	304.346	1.604	50	20	DDGD	
CS(=O)(=O)CCCNC(=O)NNc1c(F)cccc1Cl	274508830	KHYCQURWPWZGNN-UHFFFAOYSA-N	323.777	1.540	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)C[C@](C)(O)C2CC2)c1	270154591	WZNVMHSYQNTHHR-INIZCTEOSA-N	305.378	1.065	50	20	DDGD	
COCCn1ccc2ccc(NC(=O)NNC(=O)OC)cc21	271289891	BWFULCHUKOBBOG-UHFFFAOYSA-N	306.322	1.680	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCc1ccc(OC(F)F)cc1	271251759	FLTZDQIECZJYIT-UHFFFAOYSA-N	315.320	1.913	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)CSc1ccccc1O	270708118	NQVJEEPHWPEFMH-SNVBAGLBSA-N	314.432	1.773	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2cc3ccccc3o2)CC1	278643544	OBGQXKBNJYKFIM-UHFFFAOYSA-N	302.334	1.035	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H](C(C)C)N1C[C@H](C)O[C@H](C)C1	276812193	ZXKRJBOIYJEAEN-QLFBSQMISA-N	320.437	1.967	50	20	DDGD	
CC(C)Cc1nnc(NC(=O)NNC(=O)c2ccccn2)s1	273391850	GSDBSCPEUKDIEX-UHFFFAOYSA-N	320.378	1.598	50	20	DDGD	
N#CC1=CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)CC1	271143366	SSMVPDREZVZZDI-KRWDZBQOSA-N	311.385	1.570	50	20	DDGD	
Cc1ccc(CNS(=O)(=O)CCCCCl)c(=O)n1C	278449368	VWDZUPFZOKWOQJ-UHFFFAOYSA-N	306.815	1.132	50	20	DDGD	
CC[C@H](C(=O)NNc1ccc([N+](=O)[O-])cc1Cl)C(=O)OC	276719384	KFQUIBIVRPQVGP-MRVPVSSYSA-N	315.713	1.891	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(OCCOC)cc1	274469721	YFNOCQQVSAVHCY-UHFFFAOYSA-N	310.354	1.410	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCC2=CCCOC2)c1	288109780	XILXOKZHXXYWCW-UHFFFAOYSA-N	318.377	1.043	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc2nccnc2cc1F	295678216	XTBITAZOQLUWEY-CYBMUJFWSA-N	318.308	1.099	50	20	DDGD	
COc1cccc(OCCC(=O)NNc2nccc(OC)n2)c1	294370662	MZTNBSKTMABOMY-UHFFFAOYSA-N	318.333	1.406	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CC2CC2)cnn1-c1ccccc1F	294194247	OZMBEXJGSKVBDF-UHFFFAOYSA-N	316.336	1.881	50	20	DDGD	
CCn1nncc1C(=O)NNc1ccc(OC(F)(F)F)cc1	293455535	SXBPQKOWCDQJAN-UHFFFAOYSA-N	315.255	1.954	50	20	DDGD	
COCC1(CNC(=O)NNc2nccc(OC)n2)CCCCC1	291188371	JEXDIJUMNXFWIK-UHFFFAOYSA-N	323.397	1.708	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@H]1C[C@H](c2ccccc2)OC1=O	809738763	IOTURRYVBDREKY-VXGBXAGGSA-N	316.292	1.363	50	20	DDGD	
O=C(NNc1nnc[nH]1)[C@H]1CCCCN1Cc1ccccc1	294035598	VZOUBFVNNUSIJY-CYBMUJFWSA-N	300.366	1.303	50	20	DDGD	
CC[C@@H](C)CONC(=O)NNC(=O)[C@H]1COc2ccccc2O1	291760376	LMNUFYQJLHVBFC-ZWNOBZJWSA-N	323.349	1.135	50	20	DDGD	
O=C(Cc1ccc2c(c1)OCCO2)NNc1cccc(F)n1	804770521	GOJBUQPWXPLAPU-UHFFFAOYSA-N	303.293	1.678	50	20	DDGD	
CC(C)(CC(=O)NNC(=O)[C@H]1COc2ccccc2O1)C1CC1	292634545	IVLKBSURSLKMNX-CQSZACIVSA-N	318.373	1.800	50	20	DDGD	
Cc1ccccc1NCCC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	294025262	WZKGNIQQGJKNOJ-JSGCOSHPSA-N	305.378	1.512	50	20	DDGD	
C[C@@H](CCc1cccn1C)NC(=O)NNC(=O)[C@@H]1CCCCO1	296589613	UMGWUWGSIUKFBP-JSGCOSHPSA-N	322.409	1.246	50	20	DDGD	
CC[C@@H](C)[C@H](CNC(=O)NNc1cncc(Cl)n1)OC	298093554	LSQQWUVRVXFOEJ-BDAKNGLRSA-N	301.778	1.817	50	20	DDGD	
CO[C@@H]1CCN(CC(=O)NNC(=O)c2ccccc2)CC1(C)C	295957438	JTXPANDHMHSONE-CQSZACIVSA-N	319.405	1.195	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1c(Cl)cncc1Cl	292846104	FMZHLAGSYIPBQV-UHFFFAOYSA-N	321.164	1.369	50	20	DDGD	
O=C(Cn1cc2ccccc2n1)NNC(=O)Nc1ccccc1	801988622	JKTIVIYTLIFVPT-UHFFFAOYSA-N	309.329	1.889	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)c2ccccc2)[C@@H]1[C@H]1CCCO1	290944741	CCXUWPRWYKXITH-ZIAGYGMSSA-N	317.389	1.930	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H]1C[C@H](C)CC(=O)N1	293193477	WNOVCVRWXAKBKU-WPRPVWTQSA-N	308.290	1.424	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)Nc2cc3n(n2)CCCC3)cc1	806983710	CVZZLHOMYSVVGV-UHFFFAOYSA-N	324.344	1.173	50	20	DDGD	
Cc1cc2ccc(C(=O)NNC(=O)Cc3ccncc3)cn2c1	806995816	MFXAFNRKPLIITH-UHFFFAOYSA-N	308.341	1.646	50	20	DDGD	
Cc1cc(=NC(=O)NNC(=O)c2cccn2C)c2ccccc2[nH]1	809887812	LULFIJBGSQSJAH-UHFFFAOYSA-N	323.356	1.770	50	20	DDGD	
CC(C)(C(=O)NNc1ncc(F)cn1)c1ccccc1[N+](=O)[O-]	815881365	LRRYCCLNDZXGOF-UHFFFAOYSA-N	319.296	1.945	50	20	DDGD	
O=C(NN=C1CC(C(=O)O)(c2ccccc2)C1)c1ccccn1	814683886	UMKYVTCNVGVWOQ-UHFFFAOYSA-N	309.325	1.984	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1c[nH]c(C(F)(F)F)c1	814102065	JMYBRQQUIGPAJA-UHFFFAOYSA-N	300.240	1.447	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)NOC/C=C\Cl	812706205	LLDGAAGWDSRKKE-UTCJRWHESA-N	322.752	1.725	50	20	DDGD	
CC(C)C[C@@H](CCC(=O)NN(C)C1CC1)C(=O)NN(C)C1CC1	819649267	MSECDNBXUVMXGO-CYBMUJFWSA-N	324.469	1.680	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccccc2C(=O)OC)[nH]1	815952258	GEJCEGCUTRNMPF-UHFFFAOYSA-N	317.301	1.345	50	20	DDGD	
CN(NC(=O)c1cc(I)c[nH]1)C1CC1	819648276	ZICNDXUFYNXIDB-UHFFFAOYSA-N	305.119	1.358	50	20	DDGD	
CCc1nn(C)c(OC)c1C=NNC(=O)NC1CCCCC1	814720702	NJAXTFDHFOYDIB-UHFFFAOYSA-N	307.398	1.957	50	20	DDGD	
CCc1cc(NC(=O)NNc2cccc(C(=O)OC)c2)nn1C	817337246	KZBJSQBCAWRPJI-UHFFFAOYSA-N	317.349	1.918	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)NOC/C=C\Cl	811983889	GBLGZQAEWNPQEX-BHQIHCQQSA-N	318.160	1.897	50	20	DDGD	
CC(=NNC(=O)C(C)C)c1ccc(N2C(=O)CCC2=O)cc1	814215838	WQDZZHCIDAKQMH-UHFFFAOYSA-N	301.346	1.836	50	20	DDGD	
Cc1nnc2ccc(C(=O)NNc3cccc(Cl)n3)cn12	817006165	YPLTTZYYKHAWGQ-UHFFFAOYSA-N	302.725	1.843	50	20	DDGD	
CC[C@@H](C)CONC(=O)NNC(=O)COc1cccc(C)c1	813824106	WEEATGMPNHDVBR-LLVKDONJSA-N	309.366	1.682	50	20	DDGD	
COc1cccc([C@@H](O)C(=O)NNc2cccc(Cl)n2)c1	817004815	RCXBKYWJOLLTJE-CYBMUJFWSA-N	307.737	1.920	50	20	DDGD	
CCOc1c(Cl)cc(C(=O)NNc2nc[nH]n2)cc1OC	816631760	DHZFNQGSGFSGPG-UHFFFAOYSA-N	311.729	1.622	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2C[C@@H](C)Cc3c[nH]nc32)n1	816837278	PQVBWSIXQPCCEM-QPUJVOFHSA-N	300.366	1.626	50	20	DDGD	
CC(=NNC(=O)[C@H]1COCCO1)[C@@H](C)CCCCC(=O)O	814860731	KOWMBJZRRBDSDU-CMPLNLGQSA-N	300.355	1.175	50	20	DDGD	
O=C(NCCCc1ccccc1)C(=O)NNC(=O)C1CCCC1	729519859	LPDCMMGKWDZEGM-UHFFFAOYSA-N	317.389	1.073	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCCCC#N)cc1OC	728943116	HEXRRQDRDXCOCD-UHFFFAOYSA-N	320.349	1.342	50	20	DDGD	
CO[C@@H]1CCC[C@H](C(=O)NNC(=O)c2cccc(C#N)c2)C1	814407976	BKHHKQWOLWUYJC-UONOGXRCSA-N	301.346	1.524	50	20	DDGD	
CCN(CCNC(=O)NNC(=O)c1ccccc1C)C(C)C	726713859	LSYFPYPXBOAYBG-UHFFFAOYSA-N	306.410	1.669	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCCCN(C)C)cc1OC	729286290	JZIUCSYYYLGFMQ-UHFFFAOYSA-N	323.393	1.197	50	20	DDGD	
CCCc1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)n[nH]1	825348626	SNCRDFXSMCRBCX-UHFFFAOYSA-N	312.337	1.299	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2scnc2c1	823476490	ZHLIMFRNSIVRAD-SCZZXKLOSA-N	305.359	1.482	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)/C=C\Sc1ccccc1	491746528	OIFMLHBLNXGCTF-FPLPWBNLSA-N	302.359	1.785	50	20	DDGD	
Cc1cccc(CN(C)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1C	827269209	WBOZRDQNKOEDBX-UKRRQHHQSA-N	319.405	1.901	50	20	DDGD	
Cc1nnc(NNC(=O)c2cccnc2OCC(C)C)nc1O	728600863	WQNLNCZBKULGPX-UHFFFAOYSA-N	318.337	1.072	50	20	DDGD	
O=C(CNC(=O)c1ccncc1)NNc1ccc(F)c(F)c1F	728718993	ZZBIZPZOKNLCSJ-UHFFFAOYSA-N	324.262	1.372	50	20	DDGD	
Cc1nc2ccnn2cc1C(=O)NNC(=O)CC1CCCC1	825670394	NAMGQDUEHKUBIZ-UHFFFAOYSA-N	301.350	1.379	50	20	DDGD	
CCC[C@H](C)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	825233082	MXZDSYQLLQUXBA-ZETCQYMHSA-N	309.761	1.794	50	20	DDGD	
Cc1ccc(C(=O)N2CCN(S(=O)(=O)CCl)CC2)cc1	829985456	PQBJMQMGYAQMLS-UHFFFAOYSA-N	316.810	1.279	50	20	DDGD	
CN(NC(=O)C(F)(F)C1(O)CCCC1)C(=O)OC(C)(C)C	497260393	BHDIMWAMIDYUIC-UHFFFAOYSA-N	308.325	1.825	50	20	DDGD	
CCN(CCO)NC(=O)c1cccc(NC(=O)NC(C)C)c1	823846262	GVFWPYWVKDQZPH-UHFFFAOYSA-N	308.382	1.176	50	20	DDGD	
COc1nccc(C(=O)NC[C@]2(C)C[C@H]2Br)n1	826859107	PAQUXGCKPMBEPO-KCJUWKMLSA-N	300.156	1.389	50	20	DDGD	
Cc1nc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c(C)s1	826323688	NXBXGIWLJKOXBH-UHFFFAOYSA-N	315.362	1.697	50	20	DDGD	
CCN(CCO)NC(=O)CCc1nc(-c2ccsc2)no1	823837907	IKBXDODQWGARBD-UHFFFAOYSA-N	310.379	1.076	50	20	DDGD	
CCN(C(=O)c1ccc(B(O)O)c(F)c1)[C@@H]1CCCC[C@@H]1C	584938733	AVPVDIKODAIZEV-XHDPSFHLSA-N	307.174	1.546	50	20	DDGD	
CSSCCNC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F	822783568	KOISLEXASZWNJO-RQJHMYQMSA-N	316.370	1.428	50	20	DDGD	
COC[C@@H]1CN(C(=O)[C@]2(C)C[C@H]2Br)C[C@@H](C)O1	907626000	WMKNOCAPUYQPEZ-DTHBNOIPSA-N	306.200	1.422	50	20	DDGD	
CCCCOc1cccc(NC(=O)C(=O)NNC(=O)OCC)c1	495367569	RCRGRBJEBXGIMP-UHFFFAOYSA-N	323.349	1.581	50	20	DDGD	
O=C(/C=C/c1c(Cl)nc2ccccn12)N1CC[C@H](B(O)O)C1	585069884	RPDRCHCURXTJDI-YEZKRMTDSA-N	319.557	1.076	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNc2ncncc2F)cc1OC	492882948	ADVIBVHTLFVPSF-GQCTYLIASA-N	318.308	1.789	50	20	DDGD	
Cc1noc2nc(C(C)C)cc(C(=O)N3CC[C@@H](B(O)O)C3)c12	585069418	OGNYJAVSDSPLJM-SNVBAGLBSA-N	317.154	1.344	50	20	DDGD	
O=C(NCCC1=CCCC1)NNc1cccc(-c2nn[nH]n2)c1	826436341	QIPROLWRQAAIJU-UHFFFAOYSA-N	313.365	1.993	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(C(F)(F)F)nn2)n(C)n1	821305704	APFNQALINQABOH-UHFFFAOYSA-N	314.271	1.548	50	20	DDGD	
CCc1cccc(CC)c1S(=O)(=O)NN(C)C(=O)OC	831478163	ZDSCUSSXADSYQA-UHFFFAOYSA-N	300.380	1.703	50	20	DDGD	
C[C@]1(C(=O)NC[C@@H]2CCN(C3CC3)C2)C[C@@H]1Br	906361708	LJIJKXGDLLJALS-GAFUQQFSSA-N	301.228	1.760	50	20	DDGD	
CCC[C@@H](NS(=O)(=O)c1ccc(CCCl)cc1)C(=O)O	833649256	IYHBDBXUOSMHER-GFCCVEGCSA-N	319.810	2.000	50	20	DDGD	
Cc1nn(C)cc1CC(=O)NNc1cc(C(F)(F)F)ccn1	832967725	AYBWIGBHHZIUPU-UHFFFAOYSA-N	313.283	1.828	50	20	DDGD	
CC(C)(CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)C1CCC1	838668623	OLCHCDNLIGVWPK-AWEZNQCLSA-N	317.455	1.194	50	20	DDGD	
C[C@]1(C(=O)NCC2(CO)CCOCC2)C[C@H]1Br	907098450	FZAZXLMSMSEZMF-KOLCDFICSA-N	306.200	1.065	50	20	DDGD	
CCC[C@H](CNC(=O)NNC(=O)CCc1ccccc1)OC	836526822	SNBZOURRRLEJHS-CQSZACIVSA-N	307.394	1.765	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)Cc2ccccc2F)cn1	731329499	TYYFAUKBCWCKTR-UHFFFAOYSA-N	316.336	1.290	50	20	DDGD	
C#CCCCC(=O)NN=Cc1ccccc1OCC(=O)OC	901326874	VHXHCTOWRCAMII-UHFFFAOYSA-N	302.330	1.492	50	20	DDGD	
COc1ccc(COCCC(=O)NNC(=O)NC(C)C)cc1	736073407	ITWRDPPXBPCIEM-UHFFFAOYSA-N	309.366	1.341	50	20	DDGD	
COC[C@H](OC)C(=O)NNc1ccc(Br)cc1	830771814	SOAUAKLVFQMDEH-JTQLQIEISA-N	303.156	1.554	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCOC[C@H]1CC(=O)O	909613776	JKMJUWCBLUIEOU-SCZZXKLOSA-N	322.199	1.498	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@H](C)C1CCC1	839482895	OQHKHTCDZPKXGT-LLVKDONJSA-N	305.378	1.691	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cccc2ccn(C)c12	831715899	BWKOQXPUWOGDAV-PWSUYJOCSA-N	316.361	1.756	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NN[C@@H](C(=O)O)c1ccc(F)cc1	739340918	BWVIGEZOOOPXFE-OAHLLOKOSA-N	320.295	1.954	50	20	DDGD	
Cc1cc(C)c2c(c1)[C@@H](NCc1ccc(B(O)O)o1)CCO2	585021366	UMKLRJZJRQPMHA-AWEZNQCLSA-N	301.151	1.190	50	20	DDGD	
Cc1cccc(OC[C@H](C)NCc2ccc(B(O)O)cc2F)c1	585018331	JVLIKCWGCSIIQQ-ZDUSSCGKSA-N	317.169	1.371	50	20	DDGD	
O=C(CN1CCOCC1)NNc1cccc(Cl)c1Cl	838346512	NQSCWFXFEFASFB-UHFFFAOYSA-N	304.177	1.769	50	20	DDGD	
CO[C@@H](C1CC1)[C@@H](C)NC(=O)NNC(=O)c1ccccc1O	838701371	GSBZIGYPNCUAHH-NOZJJQNGSA-N	307.350	1.150	50	20	DDGD	
CSc1ccc([C@@H](C)NCc2ccc(B(O)O)cc2)cc1	585038806	HYAFJAVZKORKQH-GFCCVEGCSA-N	301.220	1.939	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1c(C(F)(F)F)nc2ccccn12	910147130	PIRJVMGZZXJKSQ-MRVPVSSYSA-N	316.283	1.311	50	20	DDGD	
CC(C)C[C@@H](C)OCCC(=O)NNC(=O)[C@H]1CCCCO1	833246839	SMLFKLJTKHMOLU-CHWSQXEVSA-N	300.399	1.544	50	20	DDGD	
Cc1ccc(OCCCC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	833261896	RSNNRJUGAMYNSI-HNNXBMFYSA-N	320.389	1.871	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H](C)[C@H](OC)C2CC2)c1	838699858	BQAWJYVXWYKFLO-HZMBPMFUSA-N	321.377	1.913	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)COc1ccc(C)cc1	834926914	FUJAYYYUAQQDLJ-UHFFFAOYSA-N	301.350	1.444	50	20	DDGD	
Cc1ccsc1S(=O)(=O)NNC(=O)c1ccccc1F	741645597	ACYNUSMKRIJQHQ-UHFFFAOYSA-N	314.363	1.819	50	20	DDGD	
Cc1ccncc1C(=O)NNC(=O)Cc1c[nH]c2ccccc12	742035976	CJRPINHQMCIDCR-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
Cc1ncc(CO)c(C=NNC(=O)c2ccc(C#N)cc2)c1O	747053309	QSAYLPHCOSSMSU-UHFFFAOYSA-N	310.313	1.224	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)Cc1ccccc1C)CC(C)C	841592954	SUWFVVJIGVGOFZ-OAHLLOKOSA-N	321.421	1.929	50	20	DDGD	
CN(CC(=O)NNC(=O)C1CC1)Cc1cc2ccccc2o1	746676094	RXKINMZYFJRTIG-UHFFFAOYSA-N	301.346	1.422	50	20	DDGD	
C[C@H](CN)NC(=O)NNc1ccc(C#N)cc1C(F)(F)F	841970054	UKKXOOPSUNLHEJ-SSDOTTSWSA-N	301.272	1.550	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)N[C@@H]2CCCNC2)cc1	841943070	DJQXZEJTFHDSBM-CQSZACIVSA-N	318.421	1.680	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(C(F)(F)F)cn1	843645806	SASHLVQIAIMHPX-VXNVDRBHSA-N	317.267	1.286	50	20	DDGD	
CCc1nc2c(s1)C(=NNC(=O)c1ncccn1)CCC2	841664567	YGVNFWXCTGULPH-UHFFFAOYSA-N	301.375	1.966	50	20	DDGD	
CCCOc1cccnc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843660449	WMHUTNNLKRWHBR-WDEREUQCSA-N	307.350	1.056	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)Cn1c(C)nc2ccccc21	916275861	WUVLZLNVOFBTEQ-UHFFFAOYSA-N	324.388	1.845	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cccc(C#N)c1)Cc1ccoc1	745983488	SEQAJMOHKGJZLA-UHFFFAOYSA-N	312.329	1.044	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H](C)CN2C[C@H](C)O[C@H](C)C2)o1	916371042	HUMPAWMHRVQJOW-BNOWGMLFSA-N	307.394	1.783	50	20	DDGD	
C[S@@](=O)c1ccc(C(=O)NNC(=O)NC2CCCC2)cc1	744053997	MAOWTQQASKEKOS-OAQYLSRUSA-N	309.391	1.311	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cc(C)n(C)n2)cc1	919834095	KXMDWARFRQNBFV-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1C[C@@H](O)C[C@@]1(C)CO	912660649	OKNFLZYQXPJXCY-SBMIAAHKSA-N	308.216	1.140	50	20	DDGD	
Cc1cc(F)ccc1C=NNC(=O)Cc1cc(O)nc(O)n1	743446121	NQOVCURXUHXQSW-UHFFFAOYSA-N	304.281	1.028	50	20	DDGD	
C[C@H](CCc1cccc(F)c1)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843652806	LBJGCCZLCMMQAP-JMSVASOKSA-N	322.380	1.967	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)c1ccc(C(=O)C(C)C)cc1	743250986	MKVQTCGVKCVKLT-UHFFFAOYSA-N	312.391	1.491	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@H]1CCN(CC(F)F)C1	841593654	CZTDRHNTXRYIIO-ZETCQYMHSA-N	320.731	1.096	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)[C@@H](C)CN1CCCCC1	749759352	SBXZTDJFJVSBNW-NWDGAFQWSA-N	300.472	1.402	50	20	DDGD	
CC1(C)CC[C@@H]1NCC(=O)NNC(=O)c1ccc(C#N)cc1	846958134	KVYUNFMLRUEURE-ZDUSSCGKSA-N	300.362	1.097	50	20	DDGD	
Cn1cc(CCCNC(=O)NNc2cc(F)ccc2F)cn1	916297165	DMIIOUPKBRPABV-UHFFFAOYSA-N	309.320	1.957	50	20	DDGD	
CCCN1C[C@H](C(=O)NNC(=O)Nc2ccccc2C)CC1=O	840446121	QZGWGWXZEKNWIU-GFCCVEGCSA-N	318.377	1.406	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)CC2CCCC2)c1	744481768	YRKFSCCMMQPZMD-UHFFFAOYSA-N	318.373	1.880	50	20	DDGD	
Cc1nn(C)c(C(=O)NNc2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-]	748002833	XMYZKRMVUXKICW-UHFFFAOYSA-N	320.265	1.302	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C(=O)C2CCSCC2)c1	840926758	PYICWBOTLLCPRP-UHFFFAOYSA-N	312.366	1.990	50	20	DDGD	
Cc1c(NNC(=O)NCC[C@@H]2CCNC2)cccc1[N+](=O)[O-]	841938163	IVLMNPFORUOEIK-NSHDSACASA-N	307.354	1.529	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1ccccc1Cl	748661072	JMBLUSOJTULZLV-SECBINFHSA-N	315.757	1.544	50	20	DDGD	
COC(=O)Nc1ccccc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843976897	ZUHGASBVTNTONF-NXEZZACHSA-N	321.333	1.051	50	20	DDGD	
Cc1noc(CCCC(=O)NNc2ccc([N+](=O)[O-])cc2F)n1	855621412	RJXGJFUFQIVXMW-UHFFFAOYSA-N	323.284	1.891	50	20	DDGD	
O=C(NCCOC1CCCC1)NNC(=O)c1cccc(F)n1	852065003	GUZUBPFLABKOPG-UHFFFAOYSA-N	310.329	1.124	50	20	DDGD	
CC(=O)N[C@H](C(=O)NC[C@]1(C)C[C@@H]1Br)C(C)(C)C	857386250	SEVBVUGQQJIJAZ-CWSCBRNRSA-N	319.243	1.827	50	20	DDGD	
O=C(COCc1ccccc1)NNc1ncccc1[N+](=O)[O-]	759292818	YUCKZRDTBAUYSB-UHFFFAOYSA-N	302.290	1.650	50	20	DDGD	
C[C@@H]1O[C@H](C)CC1=NNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C	853373487	DNWYUWJNRPVBBY-GFQSEFKGSA-N	320.393	1.557	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)C(=O)NNC(=S)NCC1CCC1	855091417	OUQTUSGZUNZSSJ-MRVPVSSYSA-N	309.439	1.425	50	20	DDGD	
C[C@H]1CC(F)(F)CCN1CC(=O)NNC(=O)c1cccs1	859839124	NIKCRUGUJCKQKF-VIFPVBQESA-N	317.361	1.629	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(=O)n(Cc2ccccc2)c1	755960238	HZRYBBNSJWPPTH-UHFFFAOYSA-N	314.345	1.459	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=Cc1ccc(F)nc1	853408367	OYYYIMXKVBSZCA-UHFFFAOYSA-N	308.357	1.613	50	20	DDGD	
C[C@@]1(CNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@@H]1Br	856892143	CETWZQMKNKWYPS-RWHSBRQSSA-N	303.200	1.779	50	20	DDGD	
CCn1ccnc1C=NNC(=O)C(=O)Nc1ccc(C)c(C)c1	755600638	JGYWBNGSGKONRH-UHFFFAOYSA-N	313.361	1.609	50	20	DDGD	
O=C(NN=C1CSCCc2ccccc21)C(=O)N1CCCC1	759197330	SVEIYUOYOAQISF-UHFFFAOYSA-N	317.414	1.419	50	20	DDGD	
N#Cc1ccccc1C=NNC(=O)CNC(=O)c1cccs1	755680364	ZRZUDAWTMFDSID-UHFFFAOYSA-N	312.354	1.500	50	20	DDGD	
CCCC1CCC(C=NNC(=O)[C@H](C)NS(C)(=O)=O)CC1	755697448	DURUMXWEZSQAID-HIFPTAJRSA-N	317.455	1.633	50	20	DDGD	
CNC(=O)NN=C1CCS(=O)(=O)c2ccc(Cl)cc21	920377164	NJRFTUNFXDPMRX-UHFFFAOYSA-N	301.755	1.151	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cnn(C)c2)c2ccccc2n1	755492624	IPBVMMGPTXVEIR-UHFFFAOYSA-N	324.344	1.743	50	20	DDGD	
Cc1ccc(C(=O)NN)cc1S(=O)(=O)NCc1ccccc1	921183830	CGCZYGWRNIJTLJ-UHFFFAOYSA-N	319.386	1.077	50	20	DDGD	
COCCC(=NNC(=O)CNC(=O)c1cccs1)C(C)C	756826010	ASDDPKFSFOIUIZ-UHFFFAOYSA-N	311.407	1.643	50	20	DDGD	
CN(C)N(C(=O)c1ccsc1Cl)[C@H]1CCS(=O)(=O)C1	854516634	NRUHWCHTCJAULN-QMMMGPOBSA-N	322.839	1.507	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NC[C@]1(C)C[C@@H]1Br	857404151	SCJXJCMFHBVGQU-JQWIXIFHSA-N	300.200	1.859	50	20	DDGD	
COCCCOCCC(=O)NNC(=O)c1cccc(Cl)c1	854197127	ZECIKOPOQBOBDZ-UHFFFAOYSA-N	314.769	1.544	50	20	DDGD	
CCC[C@@H](O)CC(=O)NNC(=O)c1ccc(OC)c(OC)c1	750052315	NICQZABCKKLYTL-LLVKDONJSA-N	310.350	1.016	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1)c1ccoc1	755885766	GXTDQZUENGVIOZ-RWMBFGLXSA-N	307.394	1.865	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1	755613669	DCIDVZFSLYCMMU-UHFFFAOYSA-N	322.365	1.014	50	20	DDGD	
COc1cncc(C(=O)NC[C@]2(C)C[C@H]2Br)n1	857390942	JEKGQBAZLQNUTK-KCJUWKMLSA-N	300.156	1.389	50	20	DDGD	
O=S(=O)(CBr)N1CCCC[C@@H]1[C@H]1CCCN1	850588366	COBWSORMLJZYKD-NXEZZACHSA-N	311.245	1.275	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)nc1	935109785	GEKLZKHIIUMNIL-JWSAXSAHSA-N	301.346	1.603	50	20	DDGD	
CCOC(=O)c1cc(C(=O)NN[C@@H](C)C(F)(F)F)[nH]c1C	862321119	RSFCRTPRKZTDPM-ZETCQYMHSA-N	307.272	1.685	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)/C=C2\CC[C@@H](C)C2)C[C@@H](C)O1	762786329	BZFJGWPCTQDBLQ-GNEPXPNRSA-N	323.437	1.380	50	20	DDGD	
Cc1cccc(C=NNC(=O)[C@H]2CCC(=O)N2)c1OC(F)F	863147495	HIZMCILWSYUKJU-SNVBAGLBSA-N	311.288	1.325	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@H](CCO)c1ccco1	867118339	ZHXZMKXPYNCHFU-SNVBAGLBSA-N	309.815	1.888	50	20	DDGD	
CN1CCN(C(=O)[C@H](Br)C(C)(C)C)C(C)(C)C1=O	768251811	GWFDERGVBYIPFI-VIFPVBQESA-N	319.243	1.875	50	20	DDGD	
C[C@@H](NNC(=O)c1cn(C)nc1-c1cnn(C)c1)C(F)(F)F	862317168	FGRVZXAMWUFFMG-SSDOTTSWSA-N	316.287	1.006	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NNC(=O)Cc1cc(C)[nH]n1	869014855	BXJLDOKHBUBIBZ-JSGCOSHPSA-N	322.409	1.393	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2O)ncn1	763959874	UGLMCFLKUKZTRO-UHFFFAOYSA-N	306.709	1.219	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CCCN2C(C)C)c1	935298679	OTHWOMGYUAXEMU-AWEZNQCLSA-N	305.378	1.789	50	20	DDGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NNC(=O)c1cc(C)cs1	862479543	RTNHRJZQVCKQJF-CABZTGNLSA-N	311.407	1.368	50	20	DDGD	
C[C@H]1CCC[C@@H](C=NNC(=O)Cc2cc(O)nc(S)n2)C1	768353880	BCULUPNMFSRJJM-VHSXEESVSA-N	308.407	1.942	50	20	DDGD	
Cc1cccc(CO[C@H](C)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	869067874	JEUQYZRUTAPZMR-NFAWXSAZSA-N	320.389	1.473	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Nc1cccc(N(C)C)n1	764728972	SDLPUMXIJWUOTK-UHFFFAOYSA-N	313.361	1.923	50	20	DDGD	
Cc1cc(C(=O)NN[C@H](C)C(F)(F)F)c2c(C)nn(C)c2n1	862306383	KDNAWRRFCMNYAZ-MRVPVSSYSA-N	315.299	1.770	50	20	DDGD	
O=C1CC[C@@H](COC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)N1	869460665	SAWSXNAANLCRKD-AVWBDOJWSA-N	316.195	1.762	50	20	DDGD	
N#Cc1cccc(NNC(=O)NCCS(=O)(=O)CC2CC2)c1	767232054	DUKSTIMIDMPZOR-UHFFFAOYSA-N	322.390	1.009	50	20	DDGD	
O=S(=O)(NC[C@@H]1COCO1)c1ccc(CCCCl)cc1	867398549	XUUPZPCAGAQXNA-GFCCVEGCSA-N	319.810	1.509	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H](C)c2cccc(Cl)c2)n[nH]1	869013680	GIBLGVITIZLSKQ-JTQLQIEISA-N	320.780	1.865	50	20	DDGD	
CC[C@H](OC1CCCC1)C(=O)NNC(=O)Cc1cc(C)[nH]n1	869012146	HYBJOPRKPQEGMO-ZDUSSCGKSA-N	308.382	1.146	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=C2CC(c3cc(F)cc(F)c3)C2)N1	863150202	PIIVKVSYXITSAJ-NCWAPJAISA-N	307.300	1.593	50	20	DDGD	
Cc1ccc(C)c(C=NNC(=O)CNC(=O)c2cccnc2)c1	763195648	NCILSESTGJMUCX-UHFFFAOYSA-N	310.357	1.579	50	20	DDGD	
C[C@H](CNC(=O)[C@@H](Br)C(C)(C)C)S(C)(=O)=O	768316044	AEGMHVUWFGBJQS-HTQZYQBOSA-N	314.245	1.345	50	20	DDGD	
C[C@H](CCCc1ccccc1)C(=O)NNC(=O)c1cn[nH]c1	862470180	BDLSATLWYOKYBN-GFCCVEGCSA-N	300.362	1.830	50	20	DDGD	
CC[C@@]1(C(=O)NNC(=O)Nc2ccccc2C)CCNC1=O	868027670	YQKNPFOREOFBSL-OAHLLOKOSA-N	304.350	1.064	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(Cl)c1Cl	1116596439	SKQYPOLFMLPRKF-UHFFFAOYSA-N	318.160	1.798	50	20	DDGD	
Cc1ccc(CO[C@H](C)C(=O)NNC(=O)CC(F)(F)F)cc1	862058148	PCKFXFOMXHZCJK-SNVBAGLBSA-N	318.295	2.000	50	20	DDGD	
O=C(NNC(=O)C1SCCS1)c1cccc2ncccc12	761158702	YONJRAXJGMAFQQ-UHFFFAOYSA-N	319.411	1.802	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1coc(C2CCC2)n1	768167109	ZEELRFOZWDWLFC-UHFFFAOYSA-N	314.436	1.414	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)C2(C#N)CCC2)cc1	874952193	ZNVHJAJZSCDOQY-UHFFFAOYSA-N	317.418	1.764	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@H](OC)C(C)C)cc1	1116170089	ZJPSSFZCJHFNCM-ZDUSSCGKSA-N	309.366	1.310	50	20	DDGD	
COC(=O)CNC(=O)NN=C1C[C@H](C)N(Cc2ccccc2)C1	779815798	AYGJWGFMDJDNLR-LBPRGKRZSA-N	318.377	1.109	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCCN(C)Cc1ccccc1	875020920	SEWIQVGGPLJUJX-UHFFFAOYSA-N	308.382	1.421	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2ncc(Cl)cc2Cl)CCC1	775271950	WMDLWGWIGABBOD-UHFFFAOYSA-N	317.176	1.748	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)c2nc3ccccc3s2)C1	874914549	ZDULBWBXKNFUMZ-MRVPVSSYSA-N	303.343	1.427	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1c(F)ccc(F)c1F	772735765	MWLWISBJHKCULN-ZCFIWIBFSA-N	318.251	1.207	50	20	DDGD	
CC(=NNC(=O)CCO)c1sc(-c2cccnc2)nc1C	1116199831	OPIWLNVLPLHVCD-UHFFFAOYSA-N	304.375	1.736	50	20	DDGD	
CC[C@H](CO)NC(=O)NNC(=O)c1ccc2ccccc2c1	775723438	AKGUHWWSXOMURQ-CQSZACIVSA-N	301.346	1.555	50	20	DDGD	
O=C(NN=Cc1cccc2nccn12)c1ccc2c(c1)OCCO2	771098667	STIPGEJLFLTBJN-UHFFFAOYSA-N	322.324	1.869	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1cccn2c(O)nnc12	774775345	KRTUFIQPWFHVRJ-UHFFFAOYSA-N	321.300	1.135	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12	875434125	AVGQXTAENRYLMU-HLTSFMKQSA-N	305.425	1.278	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)c1ccccc1	772296112	LZEMGWLINDDTLG-OLZOCXBDSA-N	320.389	1.915	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)[C@H]1C[C@H]1c1cccc(F)c1	882665160	UYVKFKRARUIWBP-RYUDHWBXSA-N	300.355	1.288	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](c1cccc(Cl)c1)N(C)C	887143119	LYARUOGPTVDTMN-HNNXBMFYSA-N	321.808	1.894	50	20	DDGD	
O=S(=O)(CCl)N1C[C@@H]2CN(c3ccccc3)C[C@H]2C1	882344750	QWCQYIODFSHFGX-RYUDHWBXSA-N	300.811	1.581	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)[C@H]1CCc2nnc(C)n2C1	771713559	IVJXDLZLRIMZBZ-NSHDSACASA-N	303.341	1.740	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCC2CC2)nc(C(F)(F)F)n1	778590071	MXVPQCXIFKXBCM-UHFFFAOYSA-N	317.271	1.158	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CNC(=O)C1CCCCC1	772830257	IXDTWWVFQXJVRB-UHFFFAOYSA-N	319.409	1.740	50	20	DDGD	
COC(=O)NNC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1	779371892	WAHHMPRMGMDDNV-VIFPVBQESA-N	301.343	1.021	50	20	DDGD	
CC(C)CN1CCN(S(=O)(=O)CCCCCl)[C@H](C)C1=O	780856397	VHXHPOARNPTBBQ-GFCCVEGCSA-N	324.874	1.524	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](c1cccc(Cl)c1)N(C)C	887143120	LYARUOGPTVDTMN-OAHLLOKOSA-N	321.808	1.894	50	20	DDGD	
CN(C)c1noc(CCC(=O)NNc2ccc(F)c(F)c2)n1	885113108	OWGMIKPLCVSGDF-UHFFFAOYSA-N	311.292	1.490	50	20	DDGD	
O=C(COc1ccc([N+](=O)[O-])cc1)NNc1ncncc1Cl	781805402	PLLUNGWJDRIAJO-UHFFFAOYSA-N	323.696	1.560	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc(CN2CCOCC2)o1)C(F)(F)F	880166502	GLKHQEKMJONDML-SECBINFHSA-N	321.299	1.297	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21	883540136	VCTXBJMFCBWTMN-VHDGCEQUSA-N	323.356	1.149	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)N[C@@H]1C[C@@H]2CC[C@H]1O2	1123780862	NSYFPCIKVMGMFZ-IACUBPJLSA-N	314.345	1.474	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](COc2ccccc2)C1	780374088	MNLNQCMONDKCCZ-ZIAGYGMSSA-N	319.405	1.333	50	20	DDGD	
Cc1ccncc1[C@@H](C)N[C@@H](C)C(=O)NNC(=O)CC(C)C	783000886	CNQLYYVGQWFALQ-OLZOCXBDSA-N	306.410	1.623	50	20	DDGD	
O=C(NNc1cccnn1)C(=O)Nc1cccc(-n2cccc2)c1	784857949	AQTHIBRFBHYSQJ-UHFFFAOYSA-N	322.328	1.349	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1coc(C2CC2)n1	786164726	GWHVKAXHSPMINR-VIFPVBQESA-N	323.349	1.291	50	20	DDGD	
COc1cccc(NNC(=O)c2c(C)oc3ncnc(O)c23)n1	780772531	CITIVOCHFONOBU-UHFFFAOYSA-N	315.289	1.397	50	20	DDGD	
COc1ccc2nc(C=NNC(=O)C(=O)NC3CC3)sc2c1	788709136	NNHQHQFEVDSMFS-UHFFFAOYSA-N	318.358	1.034	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=Cc1ccsc1Cl	790167688	IZQJSJWRIGYWRK-UHFFFAOYSA-N	312.738	1.296	50	20	DDGD	
CCc1cccc2c1OCCC2=NNC(=O)C[n+]1ccccc1	794858520	MKJFEOKWTDVPTM-UHFFFAOYSA-O	310.377	1.840	50	20	DDGD	
CSSCCNC(=O)c1ccc(-n2cnnn2)c(C)c1	791152773	OTMBKGNITGYQEL-UHFFFAOYSA-N	309.420	1.712	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(C(=O)OC)c(C)c1	899341645	GERBNMMAKPHZAV-ZBQKXELDSA-N	316.357	1.840	50	20	DDGD	
COc1cncc(C(=O)NNc2cccc(C(F)(F)F)n2)n1	792343926	UGSIEAHOAYNDTQ-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
COc1cc(C)cnc1C(=O)NNC(=S)N[C@@H](C)C1CC1	792604701	XRYVUFKDGYHCIW-VIFPVBQESA-N	308.407	1.306	50	20	DDGD	
CCOC[C@H](N[C@H](C)C(=O)NNC(=O)CC(C)C)C(C)C	794599705	HJXKCZRNJQDORG-OLZOCXBDSA-N	301.431	1.219	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NN=C2C(=O)OC[C@@H]2C)c1C	794879388	JYWJLXKRRAONBB-JQWIXIFHSA-N	304.346	1.736	50	20	DDGD	
CC[C@@H](C)CC(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1	791497760	LTCURCSVUTZYEO-LLVKDONJSA-N	317.345	1.299	50	20	DDGD	
O=C(NNC(=S)Nc1cccc(F)c1F)c1ccccn1	1319446708	PRGLYBYFUNXIKW-UHFFFAOYSA-N	308.313	1.991	50	20	DDGD	
COc1sc(C=NNC(=O)CCO)cc1Br	1319346078	AZSGXHHTOCWRHY-UHFFFAOYSA-N	307.169	1.352	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)N[C@@H]1CC[C@H]2CCC[C@@H]2C1	1325309879	BIWYNZBNDBVZMA-MRVWCRGKSA-N	308.426	1.285	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2c[nH]nc2C2CC2)cc1	1320675188	IOVSZDXEOYIHNV-UHFFFAOYSA-N	300.318	1.371	50	20	DDGD	
CCn1nncc1C(=O)NNc1cncc(Br)c1	1324995854	FJLQYFLHIKUYJA-UHFFFAOYSA-N	311.143	1.212	50	20	DDGD	
C[C@]1(CNC(=O)CNC[C@@H]2CCCO2)C[C@H]1Br	1328591133	ZTDWIFUPULZTNK-HOSYDEDBSA-N	305.216	1.045	50	20	DDGD	
Cn1nc2ccccc2c1C(=O)NNC(=S)NCC1CCC1	1330816419	FKFQLZFGJZGLQL-UHFFFAOYSA-N	317.418	1.482	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2oc(S)nc2c1	1334453148	FMCVTVRRYGXXLU-VXNVDRBHSA-N	321.358	1.303	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@H]2CCCCC2(F)F)c1Cl	1330576139	PTXHEYXLYKATLQ-ZCFIWIBFSA-N	305.716	1.981	50	20	DDGD	
CC(=NNC(=O)C[n+]1ccccc1)c1cc(F)c(F)c(F)c1	1256370974	UPDLPLFAHVEXEE-UHFFFAOYSA-O	308.283	1.932	50	20	DDGD	
Cn1ccc(NNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)n1	1348608283	NEDRXTOPYZDQHO-AWEZNQCLSA-N	310.361	1.404	50	20	DDGD	
O=C(NCCc1cccc(Cl)c1)NNC(=O)C1CCNCC1	1348542251	GKTXKJDGZJMYSK-UHFFFAOYSA-N	324.812	1.213	50	20	DDGD	
CCn1c(NNC(=O)[C@@H]2[C@@H](C)C2(F)F)nc2ccccc2c1=O	1518850497	GANQCOGWWZPXSR-KCJUWKMLSA-N	322.315	1.761	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)/C=C/c1nccs1	1518680290	RXHZURHJVROCAM-SNAWJCMRSA-N	314.436	1.030	50	20	DDGD	
COCCN(C)NC(=O)c1cc(=NCc2ccccc2)cc[nH]1	1521569901	WLPONIWCKMVIQS-UHFFFAOYSA-N	314.389	1.339	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1cnn(CCO)c1	1521335028	KMNFIYFPGAKYJG-UHFFFAOYSA-N	315.255	1.046	50	20	DDGD	
CC(C)c1ccc(C[C@@H](C)NC(=O)NNC(=O)C(=O)O)cc1	1609751166	OKZSJOJRUVLMTA-SNVBAGLBSA-N	307.350	1.156	50	20	DDGD	
CCC(CC)(CC(=O)O)NCC(=O)NNC(=O)c1ccccc1	1609912366	IYNMSOUPYAVLJY-UHFFFAOYSA-N	321.377	1.071	50	20	DDGD	
O=C(O)CC[C@@H]1CC[C@H](C(=O)NNc2ncccc2Cl)O1	1602035909	CREUGKZICAILDS-WCBMZHEXSA-N	313.741	1.591	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NNc2ccc(F)c(C(=O)O)c2)C1	1609852608	QOZSPWDLAWAHOF-SECBINFHSA-N	323.324	1.226	50	20	DDGD	
CC1(C)CCC(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)CC1	1603771086	SYWDQVQMHGZIMD-UHFFFAOYSA-N	315.381	1.921	50	20	DDGD	
Cn1nc(NC(=O)NNc2ccc(F)c(F)c2)cc1C(=O)O	1601014539	DHRXWODWSVNOKD-UHFFFAOYSA-N	311.248	1.545	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)c1ccc(O)cc1O	1601559916	GGRIYGQBEOHRMA-UHFFFAOYSA-N	306.249	1.692	50	20	DDGD	
O=C(NN=C1CCCc2cc(-c3nn[nH]n3)cnc21)c1ccc[nH]1	1606850466	LANVKAVMGLQZDY-UHFFFAOYSA-N	322.332	1.060	50	20	DDGD	
C=CC[C@H](NNC(=O)[C@H](C)Oc1cccc(Cl)c1)C(=O)O	1602843386	XXUQUTJSTQBRHB-CABZTGNLSA-N	312.753	1.757	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@H]2C[C@H](C(=O)O)C2)cc(C#N)n1C	1607524628	JSURCWHUNDDNEC-ZWWKINPQSA-N	312.329	1.092	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)c2ccc(O)cc2)cc1C(=O)O	1600462821	JWXGBOXQGYXPAY-UHFFFAOYSA-N	314.297	1.725	50	20	DDGD	
O=C(O)C(=O)NN=C1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]12	1601637714	IYDULCBDVSXNQF-ZIAGYGMSSA-N	315.373	1.475	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)Nc1cc(C(=O)O)cs1	1601555874	QSBJSQPVMNZVNV-UHFFFAOYSA-N	324.293	1.447	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)N[C@H]1CC[C@H](O)CC1	1601556527	DULMYRQODILEPI-CZMCAQCFSA-N	311.313	1.454	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@H]2CCCN2C2CC2)ccc1F	1610814640	TZHHQYUGMIWVKD-CYBMUJFWSA-N	307.325	1.594	50	20	DDGD	
CCc1ncc(CNC(=O)NNc2cccc(C(=O)O)c2F)o1	1610072930	IRPUSVNLKYRQRM-UHFFFAOYSA-N	322.296	1.901	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)c1cc(C2CC2)[nH]n1	1610701458	OXFKTCDXIDFWGJ-UHFFFAOYSA-N	304.281	1.881	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccnnc2NC(C)C)cc1	1548615872	PDWTVGGVBMTMHR-UHFFFAOYSA-N	313.361	1.680	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(OCCC(=O)O)cc1	1610010866	UCXUEZPTIFFVPV-ZHACJKMWSA-N	304.302	1.923	50	20	DDGD	
NS(=O)(=O)c1ccc(OCCCCBr)cc1	203364165	IWECJQRTGYPRJX-UHFFFAOYSA-N	308.197	1.888	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCO[C@H](CC(=O)O)C1	1610618254	DWUONEDZRZEQMN-WEKMIXOTSA-N	318.304	1.435	50	20	DDGD	
CCc1[nH]c(C(=O)NNc2ncncc2Cl)c(C)c1C(=O)O	1610055848	XJIHYVYNQYMARJ-UHFFFAOYSA-N	323.740	1.784	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H]1Cc2ccc(O)cc2N1)C1CC1	1576233122	FVWWAQUHVLXONN-ISVAXAHUSA-N	320.418	1.023	50	20	DDGD	
N[C@@H]1[C@@H](C(=O)NNc2ccc(C(F)(F)F)cn2)[C@H]2C=C[C@H]1C2	1574284647	SPBSSFILVSYLDZ-OSTYVCCYSA-N	312.295	1.693	50	20	DDGD	
CCOCc1nc(Cl)cc(NNC(=O)c2occc2N)n1	1578127539	ZOPHTYZAMJRSRD-UHFFFAOYSA-N	311.729	1.599	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)c1cscc1-c1nn[nH]n1	1582562108	IZCSQIGREOEDPV-UHFFFAOYSA-N	322.300	1.963	50	20	DDGD	
N#CCCCC[C@@H](N)C(=O)NNC(=O)c1cccc(Cl)c1	1580050917	RHWQILQZBYYAKZ-GFCCVEGCSA-N	308.769	1.512	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)N[C@H]1CC12CCNCC2	1580739740	MKLDGRRVLDUPER-LBPRGKRZSA-N	323.328	1.502	50	20	DDGD	
C[C@@H](C(=O)NNc1ncccc1C(=O)O)N(C)CC(F)(F)F	1588556165	BNIKIPFDWGXHQI-ZETCQYMHSA-N	320.271	1.106	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCC[C@@H](F)C1	1593162181	LEKXBZTZRXSZRX-WDEREUQCSA-N	304.329	1.838	50	20	DDGD	
O=C(O)[C@]1(C(=O)NNc2cc(F)c(F)c(F)c2)CCCO1	1594865557	XFDCIWIBASSBFL-GFCCVEGCSA-N	304.224	1.181	50	20	DDGD	
O=C(NNc1ccccc1F)c1cc(O)cc(-c2nn[nH]n2)c1	1593167326	XOGJRUVEAKVJRY-UHFFFAOYSA-N	314.280	1.468	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1cccc2[nH]nc(C(=O)O)c12	1777033776	PNOXQKHYMBBLES-TWGQIWQCSA-N	320.330	1.017	50	20	DDGD	
Cn1cc(Cl)cc1C(=O)NNC(=O)c1ccc(C#N)cc1	16271570	RZTLUOOERDDVAE-UHFFFAOYSA-N	302.721	1.625	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc(Br)cn1C	17455399	LHPOLRDVNKZCPD-UHFFFAOYSA-N	319.228	1.305	50	20	DDGD	
COC(=O)NNC(=O)C1(C)CCN(Cc2ccccc2)CC1	161476755	XUEADWUQLZDCDB-UHFFFAOYSA-N	305.378	1.676	50	20	DDGD	
Cc1noc(C)c1C[C@H](C)NC(=O)NNC(=O)OC(C)(C)C	162350808	PECXLAFGMHHZIA-QMMMGPOBSA-N	312.370	1.961	50	20	DDGD	
Cc1nn(C)c(C)c1OCC(=O)NNc1ccc(F)cc1F	162679502	VPBNEFIJABVYNL-UHFFFAOYSA-N	310.304	1.837	50	20	DDGD	
O=S(=O)(NCC1(O)CCC1)c1ccc(CCCl)cc1	158594781	ZVGLTGUDEBVTJY-UHFFFAOYSA-N	303.811	1.661	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2cnn(C)c2C)s1	160578044	XQPJKNKAASPKDO-UHFFFAOYSA-N	307.379	1.243	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cnn(CC)c2)n1	155833982	VNWFBDSKJUWYFF-UHFFFAOYSA-N	303.370	1.296	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccccc1Br	155379200	YQHXRCJHDDHIJU-UHFFFAOYSA-N	315.171	1.163	50	20	DDGD	
COc1ccc(NNC(=O)C[C@H](O)c2cccc(F)c2)nc1	159268539	DJXVLACFCJTHPF-ZDUSSCGKSA-N	305.309	1.796	50	20	DDGD	
Cc1cc(C)c2c(c1)/C(=N/NC(=O)c1ccc(N)cc1)C(=O)N2	4688326	VPXXIJRGDQLILC-UHFFFAOYSA-N	308.341	1.972	50	20	DDGD	
CC[C@H](C)N(Cc1ccccc1)C(=O)c1cccc(B(O)O)c1	584942080	HLENQOKASBYEDA-AWEZNQCLSA-N	311.190	1.807	50	20	DDGD	
CC(C)C(=O)NN=CC(C)(C)N1C(=O)c2ccccc2C1=O	782152028	MXPYXBXSXDRZOY-UHFFFAOYSA-N	301.346	1.819	50	20	DDGD	
O=C(CCCc1cccs1)NNC(=O)Cc1cccnc1	103425302	BIHGVCYEKDACFH-UHFFFAOYSA-N	303.387	1.856	50	20	DDGD	
CC1CCN(CCCNC(=O)NNC(=O)CC(C)(C)C)CC1	103300123	KOEAKBDSVJLRGZ-UHFFFAOYSA-N	312.458	1.875	50	20	DDGD	
COc1ccc(Cl)cc1C(=O)NNC(=O)N1CCOCC1	27338321	FLOYLZZCKWQNIO-UHFFFAOYSA-N	313.741	1.035	50	20	DDGD	
Cc1nc2cc(F)ccc2cc1C(=O)NNC(=O)CN(C)C	113426786	NWMVRZNPJOFUIZ-UHFFFAOYSA-N	304.325	1.005	50	20	DDGD	
O=C(NNc1nccnc1Cl)[C@H]1COc2ccccc2O1	114895763	GVKFDMRUVGEIJB-SNVBAGLBSA-N	306.709	1.413	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2CCC[C@H](N(C)C)C2)n1	176575351	XIPUISKBRYNSKP-OLZOCXBDSA-N	306.414	1.592	50	20	DDGD	
O=C(C[C@@H](O)c1ccc(Cl)cc1)NNC(=O)c1ccncc1	179601154	GMXBIENJTOOPHS-CYBMUJFWSA-N	319.748	1.620	50	20	DDGD	
O=C(CSCc1ccccn1)NNc1nccnc1Cl	114896001	GFOIQGORTZKIBK-UHFFFAOYSA-N	309.782	1.902	50	20	DDGD	
O=C(Cc1csc(-c2cccs2)n1)NNC(=O)NC1CC1	68270313	OZAXJZPTHJVMIE-UHFFFAOYSA-N	322.415	1.907	50	20	DDGD	
Cc1[nH]c(-c2ccccn2)n/c(=N\NC(=O)c2cccnc2)c1C	114892566	IQIIJUBSMBJOIE-UHFFFAOYSA-N	320.356	1.729	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)c1cc[nH]c1	130895848	FAYOWMUEZDBCSX-UHFFFAOYSA-N	305.359	1.577	50	20	DDGD	
O=C(NCc1ccc(-n2ccnc2)cc1)NNC(=O)c1ccc[nH]1	120703588	IXAUKRCRRXKORI-UHFFFAOYSA-N	324.344	1.345	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1ccccc1-n1cnnn1	184316447	SRTMUVVLCIXBRS-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
CCc1cnc(CNC(=O)NNc2nc3ccccn3n2)s1	189352240	PYFVIRKKAWCVMI-UHFFFAOYSA-N	317.378	1.575	50	20	DDGD	
O=C(CCCCN1CCOCC1)NNc1cc(Cl)ccn1	183010127	DERMUEPQUSLKDQ-UHFFFAOYSA-N	312.801	1.681	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Cn2cnc(-c3ccccc3)n2)n1	120426775	VQRNZBUSXRZULR-UHFFFAOYSA-N	323.360	1.495	50	20	DDGD	
Cc1cc(C(=O)NNc2nc3ccccc3c(=O)n2C)c(C)o1	78633083	KIEDODZUJUYYRR-UHFFFAOYSA-N	312.329	1.900	50	20	DDGD	
CC[S@](=O)c1ccccc1C(=O)NNC(=O)c1ccccc1	126262423	MJTUQLMRHGKWTO-JOCHJYFZSA-N	316.382	1.889	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cc3ccccn3c2)cc1	73173370	XJJWYLXCBLIBSQ-UHFFFAOYSA-N	304.309	1.886	50	20	DDGD	
O=C(NNc1ncccn1)C(=O)Nc1cc(F)cc(Cl)c1	120054938	WGENXMOAEFYYCC-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
CCCc1cnc(NC(=O)NNC(=O)c2cccn2C)s1	184056470	QSOYRICCHRKDNN-UHFFFAOYSA-N	307.379	1.901	50	20	DDGD	
COc1cccc(NNC(=O)C2(NC(C)=O)CCCCC2)n1	183032183	QMGNQFRFYKYOAR-UHFFFAOYSA-N	306.366	1.372	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)COc1ccc(F)cc1)C1CCC1	127838501	GTDKCDYRKBUZOK-SNVBAGLBSA-N	309.341	1.724	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(C)ccc1C	77164149	AVPTUQIYQJRHNL-UHFFFAOYSA-N	305.378	1.369	50	20	DDGD	
C[C@@H](CO)SCC(=O)NNC(=O)c1ccc(Cl)cc1	79096511	LSMBZKKIVPPGPL-QMMMGPOBSA-N	302.783	1.215	50	20	DDGD	
CC(=O)NNC(=O)Nc1cc(Cl)ccc1N1CCOCC1	181952750	WHJXAULRRUOREA-UHFFFAOYSA-N	312.757	1.349	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)s1	133855098	WLWBTCMUBSORGM-UHFFFAOYSA-N	306.303	1.512	50	20	DDGD	
CCN(CCS(C)(=O)=O)C(=O)/C(C#N)=C\c1ccc(O)cc1	194803284	QSTSTLYZBBOZPV-RAXLEYEMSA-N	322.386	1.192	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccncc1F	130881890	IEWAZZJZBKNBBC-UHFFFAOYSA-N	313.292	1.252	50	20	DDGD	
CO[C@H](C)CC(=O)NNC(=O)Cc1cccc2ccccc12	195357576	AJWRIJPGNGIAIJ-GFCCVEGCSA-N	300.358	1.955	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)NC[C@@H]2CCCO2)c1	42870209	LQIRZQONUWJXSE-ZDUSSCGKSA-N	321.377	1.192	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)OC[C@@H]2CCCCO2)o1	84380429	FJCYSINVONCAHO-RYUDHWBXSA-N	310.350	1.323	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)c1ccc[nH]1	192962824	PPUADPYTMCOCPT-RNCFNFMXSA-N	301.302	1.004	50	20	DDGD	
O=C(CCn1cncn1)NNc1ccc(Br)cc1	192527018	GWPYKMSVUIUUEJ-UHFFFAOYSA-N	310.155	1.574	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCCC1CCC1	131030491	SLTMGJJXWQQYJP-UHFFFAOYSA-N	305.378	1.758	50	20	DDGD	
Cc1cccnc1C(F)(F)C(=O)NNc1ncnc2nc[nH]c12	192772536	LFKJYRZCDZMHPQ-UHFFFAOYSA-N	319.275	1.291	50	20	DDGD	
CCCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1ccc(C)o1	84380115	HVXRRSNEMHHIBG-LBPRGKRZSA-N	321.377	1.530	50	20	DDGD	
C=CCCOCC(=O)NNC(=O)Cc1c[nH]c2ccccc12	143738480	FIWDAGQNFMMACJ-UHFFFAOYSA-N	301.346	1.451	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2ccc(F)c(C)c2)c1	190048003	PIIIVGAAORRDEW-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	245623468	BPVFQOUIZKVCFC-RWMBFGLXSA-N	309.410	1.265	50	20	DDGD	
O=C1NC(=O)c2ccccc2/C1=C/NNC(=O)c1ccccc1	255178312	UDFVECRZXISBEZ-UVTDQMKNSA-N	307.309	1.232	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCC1CCSCC1	265103178	XUDGLYZFDRMFAH-UHFFFAOYSA-N	308.407	1.098	50	20	DDGD	
C[C@@H](CO[C@@H]1CCOC1)NC(=O)NNc1ccc(Cl)nc1	267885135	PRWYMCSIGSOPLN-GXSJLCMTSA-N	314.773	1.555	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@@H]2CCN(C)C2)cc(C#N)n1C	264671715	LVZROJQLANPXSV-CODCLWSRSA-N	311.389	1.180	50	20	DDGD	
CSC1(CNC(=O)NNC(=O)c2ccccc2)CCOCC1	266454406	CSPADNAWVSJUDC-UHFFFAOYSA-N	323.418	1.543	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CCOC2(CCCC2)C1	268819426	GKQZWZAYUYPAOJ-UHFFFAOYSA-N	317.389	1.994	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CSC1=NCCS1	268982852	RMZSXUMSEYAQRX-UHFFFAOYSA-N	323.443	1.521	50	20	DDGD	
CNC(=O)NNC(=O)c1cnn(CC(C)C)c1-c1ccccc1	277030259	FCYLSFJZDXQOFO-UHFFFAOYSA-N	315.377	1.780	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc(F)ccc1C	276556624	LEGBOWAQFTZQRS-UHFFFAOYSA-N	312.341	1.684	50	20	DDGD	
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NNc1cccnn1	277098812	OSDOIZCJODDKJY-VIFPVBQESA-N	310.358	1.016	50	20	DDGD	
O=C(NNC(=O)C(=O)NC1CC1)N[C@H]1CCCCC12CCCC2	366046812	BHEMNWUUUMZPAT-LBPRGKRZSA-N	322.409	1.098	50	20	DDGD	
COc1cc(OC)c(OC)cc1NC(=O)NNC(=O)C1CCC1	272824329	LPXSRVSCTBXCCW-UHFFFAOYSA-N	323.349	1.665	50	20	DDGD	
CS[C@@H](C)CC(=O)NNC(=O)CSc1ccccc1O	270736971	WNXKXQAKDMHWFP-VIFPVBQESA-N	314.432	1.773	50	20	DDGD	
CCn1cnnc1CNC(=O)[C@@H](Br)C(C)(C)C	274305279	VGIQQPPWYAQMHL-SECBINFHSA-N	303.204	1.724	50	20	DDGD	
CN1C(=O)C[C@H](NC=C(C#N)C#N)[C@@H]1c1ccc(F)c(F)c1	270638478	XHJIRCSXKOGCBQ-ZFWWWQNUSA-N	302.284	1.757	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1cccc(C(C)C)c1	274234075	XBMFKYSYNIJTRV-UHFFFAOYSA-N	305.378	1.942	50	20	DDGD	
COC1(CNC(=O)NNC(=O)COc2ccc(C)cc2)CCC1	272694871	WXISMFGCFBCDPF-UHFFFAOYSA-N	321.377	1.273	50	20	DDGD	
COCC[C@H](NC(=O)NNC(=O)C1CCC1)c1ccc(C)o1	272357490	ROWDMHWPOSVAIO-LBPRGKRZSA-N	309.366	1.796	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNC(=O)c1ccccc1OC	273690765	LUILAEQPTFDONG-UHFFFAOYSA-N	314.345	1.431	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)C(F)(F)C1(O)CCCC1	285177402	IAKAVGLZNBYJHK-UHFFFAOYSA-N	315.276	1.978	50	20	DDGD	
O=C(NNC(=O)[C@H]1Cc2cc(F)ccc2O1)Nc1ccccc1	374813724	HFIXMZCEZFDGMO-CQSZACIVSA-N	315.304	1.982	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1	286282357	OGXSNLFDDKCPKI-CJUJNCCTSA-N	306.284	1.450	50	20	DDGD	
Cc1ccc2nc(C(=O)NNC(=O)N3CCOCC3)ccc2c1	292884965	FHLIXRFMFSXTGW-UHFFFAOYSA-N	314.345	1.230	50	20	DDGD	
COCC[C@@H](NC(=O)NNc1ccncn1)c1ccc(C)o1	296825790	XSXDOYASURLGHU-LLVKDONJSA-N	305.338	1.782	50	20	DDGD	
O=C(CN1CCc2ccccc2C1=O)NNc1ncccc1F	804213233	MVECUHVRPLIZQT-UHFFFAOYSA-N	314.320	1.362	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)NOC[C@@H]1CCOC1	807167597	GLZIMXXOQBVNCY-SNVBAGLBSA-N	318.333	1.122	50	20	DDGD	
O=C(CS(=O)(=O)C1CCCC1)NNc1cccc(Cl)n1	293729595	QJEQMXTWNZLZQZ-UHFFFAOYSA-N	317.798	1.536	50	20	DDGD	
Cc1ccc([C@@H](C)NC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	296216124	IZSVAKBJSKVJFN-OCCSQVGLSA-N	305.378	1.956	50	20	DDGD	
CCC[C@@H](CNC(=O)NNC(=O)COCc1ccccc1)OC	296528750	UMUOYHXUNXHOJL-AWEZNQCLSA-N	323.393	1.349	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1F	294173006	JAAUVPSGLSOENJ-HZMBPMFUSA-N	324.352	1.482	50	20	DDGD	
COc1cc(C)ccc1NC(=O)C(=O)NNc1ncccc1F	807301060	SRBLDSBWAQGTFT-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
Cc1cc(NNC(=O)CCc2ccc(C(N)=O)cc2)nc(C)n1	296016597	YVMIFVUSXIMDDT-UHFFFAOYSA-N	313.361	1.268	50	20	DDGD	
C[C@@H](Sc1ccccc1C(=O)NNc1ccccn1)C(N)=O	801183007	GJVDHHVCYOWJLB-SNVBAGLBSA-N	316.386	1.804	50	20	DDGD	
Cc1cccnc1C(F)(F)C(=O)NNC(=O)[C@@H]1CCCCO1	295652320	VDABZNBKQVCSDJ-JTQLQIEISA-N	313.304	1.198	50	20	DDGD	
CC(C)(C(=O)OCC(=O)NNC(=O)c1cccs1)C1CC1	805703257	IYSFYOWHEFEIAR-UHFFFAOYSA-N	310.375	1.489	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2ncc(F)cc2F)CN1C1CC1	298133442	ZZDWURUUTVUVAA-SCZZXKLOSA-N	311.336	1.611	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)COC[C@H]2CCCO2)cc1	802062867	TYXIQHMYOVHNGP-CYBMUJFWSA-N	323.349	1.044	50	20	DDGD	
N#CCCCCCC(=O)NNC(=O)[C@H]1COc2ccccc2O1	805152680	HRIGUKZNRUFLNV-CQSZACIVSA-N	317.345	1.448	50	20	DDGD	
CC(C)OC1CC(=NNC(=O)CNC(=O)c2cccs2)C1	814827018	QVPFNLCJLYZRQG-UHFFFAOYSA-N	309.391	1.538	50	20	DDGD	
CCC1(CC)NC(=O)N(CC(=O)N(C)CC(Cl)Cl)C1=O	819850422	YVDHIKOXGIFQDU-UHFFFAOYSA-N	324.208	1.359	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cn(C)nc1C(F)F	812225787	AXEDODMJNQAECG-UHFFFAOYSA-N	315.324	1.113	50	20	DDGD	
Cn1nccc1[C@H]1CCCC(=NNC(=O)Cc2cc[nH]n2)C1	814954624	LTTLHYCAWZBIBZ-NSHDSACASA-N	300.366	1.516	50	20	DDGD	
CCc1ccc(C(=O)NN=Cc2c(Cl)nc(N)n2C)cc1	814744872	BIKKXMUGXIJRMW-UHFFFAOYSA-N	305.769	1.982	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21	816971241	XTPUPTJJCFKAKK-SCZZXKLOSA-N	302.338	1.018	50	20	DDGD	
Cc1nsc(C)c1C(=O)NNC(=O)Cc1ccccc1F	815539067	YMCCXGCWJSWNPC-UHFFFAOYSA-N	307.350	1.903	50	20	DDGD	
CCOC(=O)C1CCC(=NNC(=O)N=c2cc[nH]cc2)CC1	815000541	LEHQOAAJAJSYEZ-UHFFFAOYSA-N	304.350	1.734	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCCSC2)cc1	810540146	YHIZXQPPIDPCMY-LBPRGKRZSA-N	319.386	1.228	50	20	DDGD	
CN(C)CC(=O)NN=Cc1csc(-c2ccc(F)cc2)n1	727647696	CVBZNHAQIBXOMM-UHFFFAOYSA-N	306.366	1.961	50	20	DDGD	
CC(C)c1nn(C)cc1C(=O)NNC(=O)CNc1ccccc1	819831369	LTRIITBRTJLQAD-UHFFFAOYSA-N	315.377	1.417	50	20	DDGD	
CCOC(=O)Nc1ccc(F)c(C(=O)NN(CC)CCO)c1	823376330	CGNINNUMTTWPHQ-UHFFFAOYSA-N	313.329	1.353	50	20	DDGD	
CCNC(=O)NNC(=O)CC1(CNC(=O)OC(C)(C)C)CC1	497146659	MFHUAVKHPQESIG-UHFFFAOYSA-N	314.386	1.032	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2CCC[C@H]2C)cc1OC	729507899	LBEILARDKNRQHR-PWSUYJOCSA-N	321.377	1.836	50	20	DDGD	
CCOC(=O)NN=C1CCCc2c1cnn2-c1ncccn1	496808484	CTUIXKCLIFFAJG-UHFFFAOYSA-N	300.322	1.449	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)/C=C/c2cccnc2)c1	492330202	MYRLFYPXZFQOMX-BQYQJAHWSA-N	317.370	1.642	50	20	DDGD	
CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)NNC(=O)C(C)C	493879913	GANDDVLPTBQRSC-OAHLLOKOSA-N	315.414	1.731	50	20	DDGD	
CO[C@H](C)CCNC(=O)NNC(=O)Cc1ccc(Cl)cc1	726714702	VLTYXPBSOLVEPV-SNVBAGLBSA-N	313.785	1.638	50	20	DDGD	
COc1nccnc1NNC(=O)c1cnc(CC(C)C)s1	822872092	RARANDYTGMDZCP-UHFFFAOYSA-N	307.379	1.897	50	20	DDGD	
COC(=O)NNC(=O)c1csc(-c2ccc(OC)cc2)n1	490578290	CNJUIRUBRWSJCB-UHFFFAOYSA-N	307.331	1.820	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)NNC(=O)CC1CC1	497026470	FCTRSZROBRQSIQ-ZJUUUORDSA-N	313.398	1.483	50	20	DDGD	
CCN(CCO)NC(=O)Cc1cccc(Br)c1	823856747	YOFHXDKIZTWYJR-UHFFFAOYSA-N	301.184	1.337	50	20	DDGD	
O=C(/C=C\c1ccc[nH]1)NNC(=O)c1cc(-c2ccccc2)[nH]n1	491949919	BEAVFFRZIMPKTJ-HJWRWDBZSA-N	321.340	1.879	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)c1ccc(-c2nn[nH]n2)cc1	823280605	CWIADMVWJAGCCR-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
O=C(CCC[C@H](O)c1ccccc1)NNC(=O)NCC1CC1	823803887	GYYGCZDKUKGCSM-AWEZNQCLSA-N	305.378	1.631	50	20	DDGD	
Cc1cnc2c(cnn2CC(=O)NNC(=S)NC(C)(C)C)c1	906526775	LPNAPWSDQZQCRL-UHFFFAOYSA-N	320.422	1.034	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H](C)Cc1ccc(O)cc1	825895560	OQCZFFDVGIPUGH-UHIISALHSA-N	321.377	1.079	50	20	DDGD	
CCn1cc(C=NNC(=O)[C@H](C)Oc2cccc(C)c2C)nn1	901146511	NFKYAURALNVMDL-ZDUSSCGKSA-N	315.377	1.832	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1	823898152	SFJZSHZVCONSTL-KBPBESRZSA-N	321.421	1.259	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CC[C@@H](N2CCCC2)C1	490880099	ULKHTNILIJTZQH-UVQBRAAOSA-N	311.385	1.996	50	20	DDGD	
CN(NC(=O)c1ccncc1NC(=O)C(F)(F)F)C1CC1	823788751	AFYPVRXIBQWAHA-UHFFFAOYSA-N	302.256	1.321	50	20	DDGD	
C[C@]1(c2cccs2)C[C@@H]1CNC(=O)c1cccc(B(O)O)c1	584943945	HVLDLFLXUKHFBQ-WBMJQRKESA-N	315.203	1.136	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1-c1nn[nH]n1	737077135	RUMSVUXIMQIIRA-UXBLZVDNSA-N	310.317	1.061	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1scnc1Cl	826447354	BKGFPDWCUBPFHI-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
CC(C)(C=NNC(=O)c1cnccn1)CNC(=O)OC(C)(C)C	497103752	YNCGWKIHECLGRJ-UHFFFAOYSA-N	321.381	1.743	50	20	DDGD	
O=C(/C=C\[C@H]1CCOC1)NNC(=O)Cn1ccc2ccccc21	493062285	PAELAAVZYDKDKN-SZZPACECSA-N	313.357	1.381	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CC=CC[C@@H]2C(F)(F)F)c(F)c1	585049024	ADCYTHGUAFAXRA-WCQYABFASA-N	317.091	1.492	50	20	DDGD	
CCOC(=O)C[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(O)cc1	491132172	MYVGUMGFVXAYFA-VSXLWIIGSA-N	302.330	1.757	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@@H]2CSc3ccccc32)cn1	735586704	OCIYPXOMSMLKJB-LLVKDONJSA-N	317.374	1.211	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)[C@H]1CN2CCCN1CC2	836933666	MRPBACZEHPCJSV-CYBMUJFWSA-N	308.813	1.481	50	20	DDGD	
OB(O)c1ccccc1CNCCCCc1c[nH]c2ccccc12	585037462	YQMBVORUNYQLKY-UHFFFAOYSA-N	322.217	1.960	50	20	DDGD	
CO[C@H]1CCC[C@H](Cc2nc(-c3ccc(B(O)O)cc3)no2)C1	585053136	BRHKKSDSDRDEMD-FZMZJTMJSA-N	316.166	1.164	50	20	DDGD	
Cc1ccc(CN(C(=O)c2ccc(B(O)O)cc2)C(C)C)s1	584933986	MXMMMFNTGXRUOJ-UHFFFAOYSA-N	317.219	1.787	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cccc(Br)c1O	730275084	VLMAKOVYRIAVOD-UHFFFAOYSA-N	315.167	1.962	50	20	DDGD	
C[C@H](CNC(=O)[C@]1(C)C[C@H]1Br)c1nncn1C	907640923	PJMKKRQUDFZOPV-SOCHQFKDSA-N	301.188	1.208	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)COCC2CCCC2)nc1	836779769	JWNUEMCWZRUAMQ-UHFFFAOYSA-N	307.350	1.518	50	20	DDGD	
CC1(C)C[C@H](CNC(=O)NNC(=O)c2ccccc2)CCO1	836205572	LFRBLDOMAZQZAU-GFCCVEGCSA-N	305.378	1.836	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cccc(CC#N)c1	831855622	YYVPXGFUJRMWGV-GWCFXTLKSA-N	302.334	1.330	50	20	DDGD	
Cc1nc(-c2ccccc2)oc1C(=O)N1CC[C@@H](B(O)O)C1	585067233	RSZCQPVXAGLTCS-GFCCVEGCSA-N	300.123	1.339	50	20	DDGD	
CC(C)Cc1ncc(CNCc2ccc(B(O)O)cc2F)s1	585030191	OVRSVLITXSDEGM-UHFFFAOYSA-N	322.214	1.450	50	20	DDGD	
CCNC(=O)CCC(=O)NNC(=O)C(C)(C)c1ccccc1	732096355	JNLIORROXYIXRI-UHFFFAOYSA-N	305.378	1.028	50	20	DDGD	
CCOc1cccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	831336827	DBLRTGXWVBVJOL-GWCFXTLKSA-N	307.350	1.663	50	20	DDGD	
C=CCC[C@H](NS(=O)(=O)CBr)C(=O)OCC	832549456	CHSPXPILEZCBBS-QMMMGPOBSA-N	314.201	1.156	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc3c(c2)NC(=O)CS3)ncn1	734255740	YRKFZNZTMOKZLR-UHFFFAOYSA-N	315.358	1.586	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc2c(c1)CCCO2	831406246	NACIBGAMFYSRFT-ZWNOBZJWSA-N	319.361	1.589	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1cccc(B(O)O)c1	584914231	SPSXTTIKRYHYBK-IUODEOHRSA-N	305.183	1.290	50	20	DDGD	
CC[C@H]1C[C@H](C(=O)NNc2cc(O)nc3ncccc23)CCO1	913990869	AMEVMYHHMOZMBW-MNOVXSKESA-N	316.361	1.984	50	20	DDGD	
COc1cccc(O)c1C=NNC(=O)c1ccnc(N(C)C)c1	731562068	KSDZJYCVSPKGDG-UHFFFAOYSA-N	314.345	1.626	50	20	DDGD	
CC(C)Oc1ncc(C(=O)NN(C)C[C@@H](C)O)cc1Cl	910171441	WVXJEINDNXALQZ-SECBINFHSA-N	301.774	1.480	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC2(C#N)CC2)c1F	838575765	DGPAQXVGIOFNLU-UHFFFAOYSA-N	306.297	1.542	50	20	DDGD	
Cc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	843648438	QNLBCVIQKAATFA-YRGRVCCFSA-N	306.362	1.335	50	20	DDGD	
COC/C(C)=C\C(=O)NNC(=O)CSc1ccc(C)cc1	845088928	GXYOSWHGRHPCCN-WQLSENKSSA-N	308.403	1.827	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2CCCN2C)c1C	748556455	VSWRTJOZWUAVMG-CYBMUJFWSA-N	306.435	1.715	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@@H]1CS[C@@H](C)C1	840417101	OJCGAMFTCUQACN-JQWIXIFHSA-N	323.418	1.462	50	20	DDGD	
CCn1nncc1C=NNC(=O)[C@H](C)Oc1cccc(C)c1C	841613469	ZTSNOMRKHJCMJI-ZDUSSCGKSA-N	315.377	1.832	50	20	DDGD	
CC(C)CNC(=O)N1CCC[C@H](C(=O)NNC(=O)C2CCC2)C1	741220403	QAHSOQDCJSXJDH-ZDUSSCGKSA-N	324.425	1.012	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)[C@@H]2COc3ccccc3O2)s1	748778199	GIVSFQMDPMLGFY-AWEZNQCLSA-N	313.338	1.910	50	20	DDGD	
CN(CCO)c1ccc(C=NNC(=O)NC2CCCC2)cc1	743531879	FSISBXFVXNHIII-UHFFFAOYSA-N	304.394	1.691	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(Cl)cc(Cl)n1	843663057	VBZBIQXIXWCYIQ-XPUUQOCRSA-N	318.160	1.574	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H](C[C@@H]1CCCO1)C(F)(F)F	845323192	IYKLMSYUNXFDLF-IUCAKERBSA-N	311.304	1.473	50	20	DDGD	
CCN1CCN(C[C@H](C)CNC(=O)NNc2ccccc2)CC1	745863547	WVWXPIRLHPIHRO-OAHLLOKOSA-N	319.453	1.586	50	20	DDGD	
Cc1nnc(O)c(C(=O)NNc2cc(F)c(F)c(F)c2)c1C	746703779	DONMCWYHYGOVIA-UHFFFAOYSA-N	312.251	1.973	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCC(=O)NC2)c1C	916163904	FXOFIQOVXPCJTD-LLVKDONJSA-N	320.418	1.147	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@H](CCN)C(F)F	843484254	PTSLPWHLBXRXQY-RQJHMYQMSA-N	301.175	1.895	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2nc3ccccn3n2)CCCC1	843864499	FROBDQXAGQXVOG-UHFFFAOYSA-N	317.349	1.296	50	20	DDGD	
COc1cc(F)c(C=NNC(=O)[C@@H]2CCCCO2)cc1OC	844602305	ZMLYYSWHFKATNJ-LBPRGKRZSA-N	310.325	1.862	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1ccnc(-n2cccn2)c1	916394368	QAEISGROBKDMFR-UHFFFAOYSA-N	316.365	1.144	50	20	DDGD	
CCN(C)C(=O)COC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	746568786	QAFWPVZTXRJJBN-AWNIVKPZSA-N	314.345	1.134	50	20	DDGD	
CC(C)(C)C(=O)c1ccc(NC(=O)NNC(=O)CCCN)cc1	841135069	CMJJDQCTERSJKP-UHFFFAOYSA-N	320.393	1.807	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)[C@H]1CCSC1	848321655	ZXWOFYUMZSNCRC-LURJTMIESA-N	303.185	1.435	50	20	DDGD	
CC(C)NC(=O)NNC(=O)C[C@@H](c1nccn1C)C(F)(F)F	847402202	ZUWXVUSCVMUQJY-QMMMGPOBSA-N	321.303	1.195	50	20	DDGD	
COc1cc2c(c(OC)c1)N(S(=O)(=O)CCl)CCC2	841562610	DHFCXXLMJVZZIY-UHFFFAOYSA-N	305.783	1.983	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)C[C@H]1CCC(=O)N1C	847115812	MDFRBQIDZDMBRA-LLVKDONJSA-N	304.350	1.159	50	20	DDGD	
CC(C)[C@H](NC(=O)NNC(=O)CC(F)(F)F)c1cnn(C)c1	927412469	DZJWDHFOMWYIRA-JTQLQIEISA-N	321.303	1.400	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1cnn(CC(=O)OC(C)(C)C)c1	843922339	GTSAQFYXODYDNY-KHPPLWFESA-N	320.349	1.607	50	20	DDGD	
CCCNC(=O)NN=C(C)c1ccc(S(=O)(=O)NC)cc1	920989590	NRXPDYILZVUSEQ-UHFFFAOYSA-N	312.395	1.028	50	20	DDGD	
COC(=O)[C@H]1CCN2C(=O)N(CCSSC)C(=O)[C@H]2C1	925339063	PSONLZBZWVIFFJ-DTWKUNHWSA-N	318.420	1.213	50	20	DDGD	
Cn1nncc1NNC(=O)CCCCCc1ccc(O)cc1	857271269	HAJGMQAMXHPAOO-UHFFFAOYSA-N	303.366	1.767	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C1(C)CCCCC1	854283720	IDFZAFAULSAHSC-UHFFFAOYSA-N	301.456	1.831	50	20	DDGD	
C[C@@H](OCC1CC1)C(=O)NNC(=O)COc1ccc(F)cc1	920772956	JLZLVQWIEQGIGU-SNVBAGLBSA-N	310.325	1.167	50	20	DDGD	
COCCCNC(=O)NN=C1C(=O)N(C(C)C)c2ccccc21	920833245	JZIVIYLVMXVQMS-UHFFFAOYSA-N	318.377	1.481	50	20	DDGD	
C[C@H](O)CN(C(=O)NC[C@]1(C)C[C@H]1Br)C1CC1	856958076	DUSHPYRFBXHISY-XRNSZHNASA-N	305.216	1.715	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2cccc(C(=O)OC)c2C)CC1	855626056	RDQAHFHSTJESRJ-UHFFFAOYSA-N	320.345	1.568	50	20	DDGD	
COCCCNC(=O)NN=Cc1sc(OC)nc1Cl	755669868	ZJZQNHLGJWTVAK-UHFFFAOYSA-N	306.775	1.475	50	20	DDGD	
Cc1nnc(COCC(=O)NNc2cc(F)ccc2C)s1	855369864	CPOPCTXXPZZZRJ-UHFFFAOYSA-N	310.354	1.954	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1cn(CC)cn1	856724731	UYFPDXNJSYZXMA-UHFFFAOYSA-N	316.361	1.305	50	20	DDGD	
Cc1nnccc1C(=O)NNC(=O)c1cc2c(s1)CCC2	752993351	ULZHQCWICOXDRD-UHFFFAOYSA-N	302.359	1.410	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	858091993	LJFKDESFTMYUEA-LBPRGKRZSA-N	309.322	1.561	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2csc(C3CC3)n2)n1	920366755	XRCRVBRDIMYGFW-UHFFFAOYSA-N	303.391	1.984	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)[C@]3(C)CC=CCC3)nc21	857124770	IBNSEQGFLJDNSH-CQSZACIVSA-N	302.338	1.258	50	20	DDGD	
CC(C)S(=O)(=O)CC(=O)NNc1ccc([N+](=O)[O-])cc1F	855620632	BJMIKWVGVQPRGE-UHFFFAOYSA-N	319.314	1.000	50	20	DDGD	
O=C(NN=C1CS(=O)(=O)Cc2ccccc21)NC1CCCC1	853296692	IYIZFQASFDAWJN-UHFFFAOYSA-N	321.402	1.561	50	20	DDGD	
CCC(=O)c1cc(C(=O)NNC(=O)c2ccccn2)ccc1F	756845982	SSNUXFYWOKNKSM-UHFFFAOYSA-N	315.304	1.888	50	20	DDGD	
CC1(CC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1	757922011	PNDYQTKRCQGXJD-UHFFFAOYSA-N	317.393	1.031	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=Cc1ccc(C#N)cc1	853409908	USOJDBULTOQMIC-UHFFFAOYSA-N	314.389	1.951	50	20	DDGD	
O=C(NN=C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(F)F	853332326	RYHLOJWLKLKGJP-UHFFFAOYSA-N	313.264	1.327	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H]1CSC(c2ccccc2O)=N1	854214864	SWIBMDGWQJCRGD-SNVBAGLBSA-N	307.375	1.058	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)N[C@@H]1CCCOc2ccccc21	858168632	ZDZZTRAVWFXYBI-GFCCVEGCSA-N	315.333	1.268	50	20	DDGD	
Cc1nnccc1C(=O)NNC(=O)c1cc(Cl)ccc1O	753772125	YMSOPSHTUJQSQV-UHFFFAOYSA-N	306.709	1.219	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNc1ccc([N+](=O)[O-])cc1F	855626370	BYUIMWVGTNREEG-MRVPVSSYSA-N	313.285	1.766	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC12CCC2)c1cnn(-c2ccccc2)c1	759791091	PZCMEAAZRBXRQG-CQSZACIVSA-N	310.357	1.824	50	20	DDGD	
CCCn1nccc1C=NNC(=O)Cn1cnc2ccccc21	853268491	GAEOAUCVBREEBB-UHFFFAOYSA-N	310.361	1.793	50	20	DDGD	
O=C(NN=CC1CCOCC1)c1nnc(O)c2ccccc12	755546189	OVHNDCXUGIFDHT-UHFFFAOYSA-N	300.318	1.478	50	20	DDGD	
CCc1nocc1C=NNC(=O)CCCNC(=O)C(C)(C)C	853407957	JLKCUJUBMTYPAZ-UHFFFAOYSA-N	308.382	1.630	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1C[C@@H](CO)OC(C)(C)C1	867420725	IMJOLUMRZXCKPB-JTQLQIEISA-N	313.847	1.053	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNC(=O)c2ccc(Cl)cc2)n1	864421726	NGXMSAJWOMXTOS-JTQLQIEISA-N	320.780	1.942	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H]2CCN(CC(F)(F)F)C2)cc[nH]1	862511831	CDSODBWCFSDODO-SNVBAGLBSA-N	302.300	1.139	50	20	DDGD	
CCOCn1nc(C)c(CC(=O)NNC(=O)C2CCCC2)c1C	864844868	FRLWZOAHGOLDAY-UHFFFAOYSA-N	322.409	1.374	50	20	DDGD	
O=C(NN=Cc1ccc2cc[nH]c2c1)[C@@H]1CN2CCC[C@@H]2CO1	863125954	BWECQMCIMQEGMB-ZBFHGGJFSA-N	312.373	1.481	50	20	DDGD	
Cc1nc(SCC(=O)NNc2nc3ccccc3[nH]2)n[nH]1	768516131	ZKIQZFTXTMISHI-UHFFFAOYSA-N	303.351	1.225	50	20	DDGD	
CN1CCC[C@@H](OC(=O)/C(C#N)=C\c2ccc(O)cc2)C1=O	764552139	MXTSORNBASVZFF-FWLQQBITSA-N	300.314	1.463	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@@H]1CCOC2(CCC2)C1	769195534	ZPKIFGWUXRBVKX-LLVKDONJSA-N	321.352	1.871	50	20	DDGD	
Cc1nc2n(n1)C[C@H](NS(=O)(=O)CC(C)(C)CCl)CC2	866716447	OJESPLWKNXAJRC-SNVBAGLBSA-N	320.846	1.086	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cccc(N(C)C)n1	764726801	HUMKDCBXQLDCLI-UHFFFAOYSA-N	303.326	1.095	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCC(=O)N1)c1ccc(C#N)cc1Cl	863152695	DHSACFBTLRIUPN-GFCCVEGCSA-N	304.737	1.330	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cnc(-c2ccccc2)nc1	767196050	RJUDRNHHYZODMK-UHFFFAOYSA-N	314.349	1.841	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)N[C@@H]1CCSC1	765806556	KDWNQGBMEKTPNH-SECBINFHSA-N	315.420	1.222	50	20	DDGD	
CN=[S@@](C)(=O)c1cccc(NCc2cccc(B(O)O)c2)c1	864014549	SCQXXDVVVKYPFY-QFIPXVFZSA-N	318.207	1.065	50	20	DDGD	
CN1C[C@H](c2ccccc2)[C@@H](C(=O)NNC(=O)CC2CC2)C1	861842982	YREJBBRNNDZPJF-CABCVRRESA-N	301.390	1.279	50	20	DDGD	
C[C@H](NNC(=O)Cc1ccc([S@](C)=O)cc1)C(F)(F)F	862317907	MSPCABRJRDBMQL-FHZGZLOMSA-N	308.325	1.538	50	20	DDGD	
COc1cc(OC2CC2)ccc1C(=O)NNC(=O)c1cn[nH]c1	862470020	HJVGVMCTTLIIAO-UHFFFAOYSA-N	316.317	1.034	50	20	DDGD	
COCC(=O)NN=Cc1nc2cc(C(F)(F)F)ccc2n1C	761824189	LKEKADSKBPJYHB-UHFFFAOYSA-N	314.267	1.689	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C/c1cn(C[C@@H]2CCCO2)nn1	865215764	XZHKGAUTBCBQFR-BCNIOPEESA-N	303.366	1.280	50	20	DDGD	
O=C(NN=C1CCN(c2nccs2)CC1)N1CCOCC1	764680493	ITBIDYUKERSBBJ-UHFFFAOYSA-N	309.395	1.141	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1	763832057	KUJQXPDGBSBGPM-UHFFFAOYSA-N	305.378	1.726	50	20	DDGD	
COc1cc(C(=O)NNc2ccc(Br)nc2)on1	768713230	WMDAXLSMMGYNNW-UHFFFAOYSA-N	313.111	1.598	50	20	DDGD	
CC1=C(C(=O)NNc2ccc(F)cn2)[C@H](C)n2ncnc2N1C	874649467	OJIBUERLIZIDKD-VIFPVBQESA-N	317.328	1.240	50	20	DDGD	
CC1=NO[C@H](CNC(=O)NNC(=O)CCCc2ccccc2)C1	875978041	WJLCGIICNYZZGJ-AWEZNQCLSA-N	318.377	1.505	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@@H](c2ccsc2)N(C)C)cc[nH]1	875072562	XURKVAQHFLIQJV-AWEZNQCLSA-N	319.434	1.802	50	20	DDGD	
CC[C@H]1CN([C@@H](CC)C(=O)NNC(=O)c2ccccc2)CCO1	773690371	LJLUQEYCXUYSEK-GJZGRUSLSA-N	319.405	1.337	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccc[nH]1)c1ccc(N(C)C)cc1	776244828	GDAGBZCUKZDTIS-LLVKDONJSA-N	315.377	1.786	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)C(F)(F)F	772167463	SNQXCLNSOUUIFF-JGVFFNPUSA-N	312.288	1.310	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2CCC(=O)N2C)cc1C	873762882	GVXAKMBYSTVGIX-GFCCVEGCSA-N	320.418	1.242	50	20	DDGD	
Cc1cccc(NCCNS(=O)(=O)CBr)n1	309856497	KQVIXOYJNQCDFQ-UHFFFAOYSA-N	308.201	1.074	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1cc(F)ccc1OC(F)F	875750600	ITEXTPVUXIKQRF-UHFFFAOYSA-N	321.255	1.840	50	20	DDGD	
O=C(NNC(=O)[C@H](F)Cc1ccccc1)c1ccccc1O	777970416	AMNLVRKIFIWOIV-CYBMUJFWSA-N	302.305	1.734	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCCOc1ccc(OC)cc1	875147181	KNMCFLKEOQXOAU-UHFFFAOYSA-N	311.338	1.377	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)c2n[nH]c3c2CCCC3)cn1	1115899297	BWNYOIJQSVACLI-UHFFFAOYSA-N	300.366	1.659	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc([N+](=O)[O-])cc1F	777889102	SJADGOMYKSFIGJ-SECBINFHSA-N	313.285	1.236	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1	874947058	CFVKBPSHBBVFCB-GMSGAONNSA-N	312.326	1.117	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1)N(C)C	772997413	UUNSJMNMMRCIEI-VHSXEESVSA-N	313.785	1.205	50	20	DDGD	
CCc1cccc(NC(=O)CNC(=O)NN(C)C(=O)OC)c1	875185272	ZPFKAPVTTLXTLG-UHFFFAOYSA-N	308.338	1.100	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cnc2ccccc2n1	874121011	VZJAXWFNXZOKES-UHFFFAOYSA-N	312.358	1.741	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CS[C@@H]2CCCOC2)cc1	779829374	VCXYRGWKUOOZJN-CYBMUJFWSA-N	308.403	1.668	50	20	DDGD	
COCCOc1cccc(NC(=O)NNc2ncc(F)cn2)c1	775524093	PUSDCVMRKDLNJE-UHFFFAOYSA-N	321.312	1.790	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)C2CC(=O)C2)cc1	778502574	IYFBGMCYDXXGLF-UHFFFAOYSA-N	307.375	1.382	50	20	DDGD	
OCCSCc1cn(/C(Cl)=C\CBr)nn1	881309993	BATYDHBMIIWAEM-QPIMQUGISA-N	312.620	1.936	50	20	DDGD	
COCCO[C@@H]1C[C@@H](CO)CN(C[C@H](C)CBr)C1	773966545	YGZZPCNTIWFPDX-JHJVBQTASA-N	324.259	1.363	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc(C)nc2N(C)C)n1	775683452	SFDNOKPRBOUXAU-UHFFFAOYSA-N	317.353	1.403	50	20	DDGD	
C[C@H]1Oc2ccccc2[C@H]1NC(=O)NNC(=O)C1CCOCC1	883650516	HMJLHVXYQWRJJQ-YGRLFVJLSA-N	319.361	1.266	50	20	DDGD	
CSC1(CNC(=O)NNC(=O)C2CCOCC2)CCC1	883612689	GYQRSHJNLDTFNL-UHFFFAOYSA-N	301.412	1.029	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(CCN(C)C)cc1	887148985	DYSYRAJESUIPQE-UHFFFAOYSA-N	301.390	1.355	50	20	DDGD	
N#C/C(=C/c1ccccc1)C(=O)OCCN1CCCS1(=O)=O	785344440	KJAKDEGNJRBOPN-KAMYIIQDSA-N	320.370	1.172	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)N2CCOCC2)c(Cl)c1	783837156	IEBXBIMZLMGVPG-UHFFFAOYSA-N	311.725	1.414	50	20	DDGD	
COc1cc(NC(=O)NNc2cccc([N+](=O)[O-])c2)ncn1	783067611	FWHNFMRMXIBRPN-UHFFFAOYSA-N	304.266	1.542	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(Cl)cc1F)S(C)(=O)=O	885107658	MYOOQNXBZFBPPC-UHFFFAOYSA-N	308.762	1.745	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2CC2)c(OCC2CC2)c1	788137209	BLKVJEKHLTXKJD-UHFFFAOYSA-N	304.346	1.655	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@H]2C=CCC2)cc1OC	883422437	MYPBAIPURQTZIU-NSHDSACASA-N	319.361	1.614	50	20	DDGD	
Cc1ccc(F)cc1C(=O)C(=O)NNC(=O)CC(F)(F)F	782114298	JCLGHRGKBPRTQT-UHFFFAOYSA-N	306.215	1.417	50	20	DDGD	
COc1cccc(NNC(=O)c2cc(NC(C)=O)ccc2O)n1	780773297	QSHVYHKSKGQPMY-UHFFFAOYSA-N	316.317	1.511	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2c(Cl)cnn2C)cc1	780196289	QDCWZUQWJYDZDQ-UHFFFAOYSA-N	322.752	1.611	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)C1CCOCC1)Oc1ccccc1	883411483	ZIZWIOHZLQWPLF-LBPRGKRZSA-N	321.377	1.211	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)NC1CCC(C2CCC2)CC1	883783042	QLEKBZNRVNFIRA-UHFFFAOYSA-N	317.393	1.780	50	20	DDGD	
NC(=O)[C@H]1CCC[C@@H](C(=O)NNc2cccc3cnccc23)C1	787133378	ASDMIAISWSTWKD-NWDGAFQWSA-N	312.373	1.970	50	20	DDGD	
C[C@H](COCC(F)(F)F)NS(=O)(=O)CCCCCl	780733089	BQABURLHSXMKQR-MRVPVSSYSA-N	311.753	1.892	50	20	DDGD	
CC(C)[C@H]1C[C@H](C(=O)NNc2ccnc(N(C)C)n2)CCO1	895275986	NBXLGXNYPNTXMF-VXGBXAGGSA-N	307.398	1.437	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ccccc2)n(CCC#N)n1	784767264	NYUXDOQUYNPFNG-UHFFFAOYSA-N	312.333	1.187	50	20	DDGD	
C[C@H](Oc1ccc(C=O)cc1)C(=O)NNC(=S)NC(C)(C)C	899997427	SLPHKMZGEVOZKK-JTQLQIEISA-N	323.418	1.560	50	20	DDGD	
CNc1ccc(C(=O)NN=c2sc3ccccc3n2C)cn1	788275708	XJONXGQYUPACHE-UHFFFAOYSA-N	313.386	1.922	50	20	DDGD	
Cc1c(C=NNC(=O)C(F)F)c(=O)n(-c2ccccc2)n1C	782236202	XEGFWVMXJRDQCU-UHFFFAOYSA-N	308.288	1.200	50	20	DDGD	
NC(=O)[C@H](NS(=O)(=O)CCCCCl)c1ccccc1	275552379	NMIXEDHDIDBOMH-LLVKDONJSA-N	304.799	1.151	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cc(C(=O)OC)ccc1Cl	794932851	ZNWXERJVYRIHLM-XYOKQWHBSA-N	322.748	1.796	50	20	DDGD	
CCc1nn(C)c(CC)c1CC(=O)NNC(=O)CC(F)(F)F	791117674	UZFMKWFFAGJZBB-UHFFFAOYSA-N	320.315	1.187	50	20	DDGD	
C[C@@H](O)C[C@H]1CCCCCN1CC(=O)NNC(=O)C(C)(C)C	796384968	PJWHXAMJBVCBHT-CHWSQXEVSA-N	313.442	1.195	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)COc2ccccc2F)o1	794186074	SJIFYVZAUSRWTP-UHFFFAOYSA-N	303.249	1.130	50	20	DDGD	
CO[C@@H](C(=O)NNc1nccc2sccc12)c1cnn(C)c1	799100223	PAEWXADLZJZROP-GFCCVEGCSA-N	317.374	1.861	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2ccccc2F)cc1O	791981564	FZJNWFPBGSDOBH-UHFFFAOYSA-N	318.304	1.680	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCc2ccccc2O)cc1C#N	799414180	JFYXAQALMWAOSW-UHFFFAOYSA-N	323.352	1.966	50	20	DDGD	
Cc1noc(C)c1CCC(=O)NNC(=O)Cc1ccncc1	1319028463	OHDJNGWTYVKTAM-UHFFFAOYSA-N	302.334	1.009	50	20	DDGD	
CC(C)NC(=S)NNC(=O)Cc1cc(F)c(F)cc1F	1322693580	BRBXYLNTHZLKDY-UHFFFAOYSA-N	305.325	1.550	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2ccc([S@](C)=O)cc2)n1	1322445113	CCXAYWNSCXFRAX-NRFANRHFSA-N	301.371	1.891	50	20	DDGD	
CC(C)NC(=S)NNC(=O)Cc1nsc2ccccc12	1325839388	CXVGWEQRJSZYGK-UHFFFAOYSA-N	308.432	1.743	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)c2cc(OC)cc(OC)c2)co1	1320368276	XXJWYTHFCJFZRL-UHFFFAOYSA-N	319.317	1.329	50	20	DDGD	
O=C(Cc1ccccc1CO)NNC(=O)c1ccccc1Cl	1320498598	FHSDWTCWTKFKOM-UHFFFAOYSA-N	318.760	1.836	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C1CCNCC1)c1ccc(Cl)cc1	1328724345	IJQAJYCZADTFIH-SNVBAGLBSA-N	324.812	1.731	50	20	DDGD	
Cc1ccc(C=NNC(=O)C[N+](C)(C)C)cc1Br	1256370473	QQTGIHRCVKZLBQ-UHFFFAOYSA-O	313.219	1.914	50	20	DDGD	
CC(=NNC(=O)C1CCOCC1)c1ccc2c(c1)CC(=O)N2	1333215768	QNUPQRIKZGZVPO-UHFFFAOYSA-N	301.346	1.448	50	20	DDGD	
COc1ccc2c(c1)CC[C@@H](C(=O)NNc1ccn(C)n1)C2	1336816662	JHBCFZGSDUNZHS-CYBMUJFWSA-N	300.362	1.677	50	20	DDGD	
CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C2CCC(Cl)CC2)O1	1263773397	SADWMJDLHJVCQX-TUUUFIMRSA-N	316.829	1.536	50	20	DDGD	
O=C(NN=C1CCCC[C@H]1N1CCCCC1)c1cccnn1	1262038007	SVNKQKZUBCOGFJ-OAHLLOKOSA-N	301.394	1.991	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccc(CO)c2)cc1	1343672519	ZTHGHBLUTBPHNI-UHFFFAOYSA-N	300.314	1.262	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)[C@H]1CN2CCN1C[C@H]2C	1347387512	AREHZEJFZFDKIN-BXUZGUMPSA-N	308.813	1.480	50	20	DDGD	
COc1cccc(NNC(=O)NCc2cc(C3CC3)n(C)n2)n1	1263184106	LBOIJXOEXWUOHJ-UHFFFAOYSA-N	316.365	1.527	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccccc1-n1ccc(C2CC2)n1	1346372826	GZBYZLIEXIVABD-UHFFFAOYSA-N	313.361	1.666	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N2C3CCC2CC3)C[C@H]1Br	1351190559	IADICJOEKSLOKV-HUQCHGAVSA-N	315.211	1.430	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1cccc2cc(C(=O)O)sc12	1601280628	RRJTYOUNUTYVKD-UHFFFAOYSA-N	323.330	1.135	50	20	DDGD	
O=C(CCc1ccccc1C(=O)O)NNc1ncncc1F	1601290744	GZPWUEDNGASCHC-UHFFFAOYSA-N	304.281	1.390	50	20	DDGD	
COC1([C@H](C(=O)O)N2C[C@H]3[C@H](Br)[C@H]3C2)CCC1	1606707788	DPTBTSUGYJVEQL-JLIMGVALSA-N	304.184	1.334	50	20	DDGD	
O=C(NCCc1cccnc1)NNc1ccc(C(=O)O)c(F)c1	1601514961	MJIHWYHEFFKSLK-UHFFFAOYSA-N	318.308	1.788	50	20	DDGD	
Cc1c(NNC(=O)NCCCn2ccnn2)cccc1C(=O)O	1600053343	AIYMQPALZDARDS-UHFFFAOYSA-N	318.337	1.001	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc(/C=C\C(=O)O)o1	1600566279	VKZLVBQQXZCDOS-CLFYSBASSA-N	314.297	1.761	50	20	DDGD	
CCn1cc(CC(=O)NNc2ccc(CC(=O)O)cc2)cn1	1605920357	LBFDHHYIJQDLEM-UHFFFAOYSA-N	302.334	1.216	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2CCCc3n[nH]cc32)c(F)c1	1610835420	GIJZTDJBZOORQT-VIFPVBQESA-N	318.308	1.810	50	20	DDGD	
O=C(NN[C@@H](C(=O)O)c1c(F)cccc1Cl)c1cnccn1	1610700251	MIHWTNWMZOTIFF-LLVKDONJSA-N	324.699	1.329	50	20	DDGD	
O=C(NCC(=O)N1CCCCC1)NNc1cccc(C(=O)O)c1	1610684910	BFMYFZHAPCBARX-UHFFFAOYSA-N	320.349	1.023	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1c[nH]c(C(=O)O)c1	1610659198	XZOMKIHRUQTZIS-UHFFFAOYSA-N	301.302	1.107	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)cc1	1549313329	FETGJTWGWMNPMY-GOEBONIOSA-N	317.389	1.399	50	20	DDGD	
CC(=O)C(=O)N1CCCC2(CCN(C(=O)[C@@H](F)Cl)CC2)C1	1808991555	UZGRTSGXWWEHKN-LLVKDONJSA-N	318.776	1.341	50	20	DDGD	
O=C(NN=C1CCCN2CCCC[C@H]12)c1cn2c(n1)CCCC2	1551375643	ZIVBXDVYSFNYHC-OAHLLOKOSA-N	315.421	1.954	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCCCC[C@H]2N)c(O)c1	1579663813	JLHPIULGQFUGMB-WCQYABFASA-N	305.378	1.369	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H](F)C(C)C)o1	1589774049	RVAVWMKQOGQXIX-SSDOTTSWSA-N	311.321	1.415	50	20	DDGD	
C=C[C@H](NNC(=O)c1ccc(F)cc1Br)C(=O)O	1588700190	FNVXPOXZUOCHER-VIFPVBQESA-N	317.114	1.462	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2ccc(C(=O)O)cc2F)CCN1	1594258509	VHFHHZUODCHPNN-PSASIEDQSA-N	310.329	1.291	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(C(=O)O)cc1F)c1nncn1C	1593102698	VUWYXTWNTSENSP-ZETCQYMHSA-N	322.300	1.040	50	20	DDGD	
CO[C@@H]1CC[C@H](NC(=O)NNc2ccc(C(=O)O)cc2F)C1	1599102112	HLHZZAYJHTUCNA-VHSXEESVSA-N	311.313	1.718	50	20	DDGD	
CC(C)n1nnc(NC(=O)NNc2cccc(C(=O)O)c2)n1	1592171665	MJNUVTRJZARMTN-UHFFFAOYSA-N	305.298	1.101	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H]2CC[C@@H]2C(=O)O)cc1C	1596724855	ZWZBSBMOBRRNEF-OLZOCXBDSA-N	320.345	1.726	50	20	DDGD	
Cc1ccncc1/C=C/C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1592277073	HAESQWULDWILIJ-HWKANZROSA-N	322.332	1.122	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)o1	1593166655	IZDCTXVJIXHPHE-UHFFFAOYSA-N	315.249	1.125	50	20	DDGD	
COc1cc(C(=O)O)ccc1/C=C(\C#N)S(=O)(=O)NC1CC1	1777270011	XZQSSKUOJRZTKA-WUXMJOGZSA-N	322.342	1.340	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1ccc(C(=O)O)c(O)c1	1776077863	IBONBRIJNQYQBE-UHFFFAOYSA-N	300.274	1.063	50	20	DDGD	
CC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc[nH]1	1795069448	WVUSJEZINMDKBC-WRWGMCAJSA-N	324.812	1.679	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2c(C)noc2C)c1	14843358	ONJDSCLSCRJZLG-UHFFFAOYSA-N	317.345	1.748	50	20	DDGD	
O=C1NCCC[C@H]1C(=O)NNc1ccccc1C(F)(F)F	206695134	CROXCGQJSPKIAQ-MRVPVSSYSA-N	301.268	1.675	50	20	DDGD	
O=C(CNC(=O)NCc1ccco1)NNc1ccccc1F	153213235	BHMQSSOJYDNBAE-UHFFFAOYSA-N	306.297	1.361	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCCC2)NNc1ncnc2nc[nH]c12	156324755	FDQRZZPIKNKTQS-UHFFFAOYSA-N	322.372	1.918	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2ccc(C#N)cc2)n1	155912275	VSJSOVPCNLTKSS-UHFFFAOYSA-N	310.361	1.951	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)CCc2ccc(Cl)cc2)nn1	154288765	BDXXNBHPHKBSEX-UHFFFAOYSA-N	319.752	1.305	50	20	DDGD	
O=C(NNC(=O)[C@@]1(O)CCSC1)c1cc2ccccc2o1	157476924	VFGIAPKPWDXGKT-CQSZACIVSA-N	306.343	1.062	50	20	DDGD	
CNS(=O)(=O)c1ccc(C(=O)NNc2cccc(F)c2)o1	154683585	XPBOFBHAEWRFMD-UHFFFAOYSA-N	313.310	1.084	50	20	DDGD	
O=C(COc1ccc(Cl)cc1Cl)NNC(=O)C1CC1	512401	DCZQDFIOKIENJC-UHFFFAOYSA-N	303.145	1.930	50	20	DDGD	
O=C(COC(=O)Cc1cccs1)NNC(=O)c1cccs1	10530558	JOLQSLHWADBYAU-UHFFFAOYSA-N	324.383	1.357	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1c(Cl)cccc1Cl	170794403	MEELGTZIZJHKDO-UHFFFAOYSA-N	318.160	1.680	50	20	DDGD	
CC(C)C(=O)NNC(=O)CCCc1nc2ccccc2c(=O)[nH]1	27081609	OJQSTRDQXKUWCW-UHFFFAOYSA-N	316.361	1.049	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNC(=O)c1ccccc1C)C1CCCC1	55082286	BFNINHHBPDDERG-OAHLLOKOSA-N	317.389	1.451	50	20	DDGD	
CC(=O)NNC(=O)[C@H](C)Oc1cccc(Br)c1	24311198	MYEDCFUMRVRPPN-ZETCQYMHSA-N	301.140	1.384	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1c[nH]nc1-c1ccccc1F	176385990	UPWVLFAPQGEDSD-DHZHZOJOSA-N	314.320	1.885	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Cc1ccc(F)cc1	24302163	XMIJCYCTAFWREZ-UHFFFAOYSA-N	316.332	1.767	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1	110761662	OUFWKQAZLVASCC-NEPJUHHUSA-N	302.309	1.422	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cccc3ncccc23)no1	171685742	SCVKPMXWFGQHOF-UHFFFAOYSA-N	311.301	1.998	50	20	DDGD	
O=C(Cc1ccn[nH]1)NNc1ccc(F)cc1Br	178914842	FNYAUOYPMAWFEJ-UHFFFAOYSA-N	313.130	1.997	50	20	DDGD	
COc1csc(C(=O)NNC(=O)COc2ccc(C)cc2)c1	176413561	XPPQCIYEYCYCMZ-UHFFFAOYSA-N	320.370	1.905	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@@H]2C[C@H]2C2CC2)cc1	175874017	HWPVULAAWTURSS-UONOGXRCSA-N	303.362	1.301	50	20	DDGD	
O=C(NC[C@H]1CCCO1)NNC(=O)c1cccc2ccccc12	68449426	VWFHYYLVZMPTGI-CYBMUJFWSA-N	313.357	1.963	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H](C)C2CCCCC2)n1	175417385	UKIXWBJIBXAXGP-ZDUSSCGKSA-N	321.425	1.799	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H](C)CSC	66927151	MMJUULMXHMZYBX-LLVKDONJSA-N	310.419	1.774	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@@H](CN(C)C)C1	174851316	LGHGDWFNXUOBJW-ZDUSSCGKSA-N	312.845	1.762	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(OCC2CC2)cc1	67464027	FWXQNPARUHKITM-UHFFFAOYSA-N	305.403	1.770	50	20	DDGD	
C[C@H](NC(=O)CC1CCCCC1)C(=O)NNc1ncc(F)cn1	122584832	FOTJMTSOUNJKCK-JTQLQIEISA-N	323.372	1.534	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2cnn(C)c2C)c1C	121209154	ZWUSXWKCBDYKIS-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(C)n(Cc2ccccn2)c1C	120101233	IKAAKTSLHHJSCP-UHFFFAOYSA-N	316.361	1.939	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCC[C@@H]1CCCCO1	181834372	LFKQHGUWNZWZDR-AWEZNQCLSA-N	323.368	1.658	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccn1C)c1c(F)cccc1F	122305609	MUSUNCKQQZCHBZ-VIFPVBQESA-N	307.300	1.868	50	20	DDGD	
CCCc1cc(NC(=O)NNC(=O)c2cccn2C)n(C)n1	183721494	SNNMAKOKTIWMML-UHFFFAOYSA-N	304.354	1.178	50	20	DDGD	
CC[C@H](C)CC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1	188561521	BSMWMUNXSMAOCI-JTQLQIEISA-N	312.391	1.287	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc2nc(Cl)ccc2c1	124955717	GQMDIJWRFXRTLC-LBPRGKRZSA-N	319.748	1.828	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccc(F)cn2)cc1	184021648	YRUJKFJXQXDVAI-UHFFFAOYSA-N	303.293	1.369	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(F)c(Cl)c1	124856168	WSYZUSGOAGJFEP-SSDOTTSWSA-N	315.732	1.611	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cnc(Cl)cc1C	124687552	HLQNTZNDQGZODU-ZETCQYMHSA-N	312.757	1.175	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H]2CCC[C@@H](N(C)C)C2)n1	181479573	HROJRIVACOLYSU-NWDGAFQWSA-N	307.398	1.589	50	20	DDGD	
CCN1CCC(NC(=O)NNC(=O)c2ccccc2C)CC1	43293052	AHDNETWTOKXHOS-UHFFFAOYSA-N	304.394	1.423	50	20	DDGD	
Cc1ccn(CC(=O)NNc2cnc3ccccc3n2)c(=O)c1	192485887	PLTIDMQFFSGTFJ-UHFFFAOYSA-N	309.329	1.243	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cccc(F)n2)c(C)c1	130310775	RKOMZJBOFPEJJQ-UHFFFAOYSA-N	316.336	1.711	50	20	DDGD	
CC(C)C[C@H](C)OCCC(=O)NNC(=O)NCC(F)(F)F	88255050	NXYWXBHGQLKPFU-VIFPVBQESA-N	313.320	1.720	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNC(=O)c1cccc(N(C)C)c1	194049890	HWVFUHNTQGVYLG-UHFFFAOYSA-N	315.377	1.096	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](c1ncc(C)s1)C1CC1	80454751	SFEBSOBWKFYCMK-NSHDSACASA-N	312.395	1.270	50	20	DDGD	
CCc1c(C(=O)NNC(=O)N(C)C)cnn1-c1ccccc1	194920378	BEFKJZPMLADCCX-UHFFFAOYSA-N	301.350	1.351	50	20	DDGD	
O=C(CSCC(F)(F)F)NNC(=O)Cc1ccncc1	90423890	ADVCTZJDUWDEFU-UHFFFAOYSA-N	307.297	1.067	50	20	DDGD	
CNC(=O)NNC(=O)Cc1csc(-c2cccc(C)c2)n1	97714313	NLQKQANRJCAVCL-UHFFFAOYSA-N	304.375	1.621	50	20	DDGD	
C[C@H](CN1CCOCC1)NC(=O)NNc1c(F)cccc1F	265455851	MCUDDUAESQBTMK-SNVBAGLBSA-N	314.336	1.312	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CNC(=O)c1cccs1)C(C)(C)C	265345366	YHVAASLOQUDACD-VIFPVBQESA-N	311.407	1.308	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)C1CCSCC1	264914334	OXWLOVMYNCYBSW-UHFFFAOYSA-N	305.363	1.718	50	20	DDGD	
COCCOc1ccc(F)cc1NC(=O)NNC(=O)OC	263652584	LIKZWDCNEOQQNS-UHFFFAOYSA-N	301.274	1.243	50	20	DDGD	
C[C@@H](CO[C@@H]1CCOC1)NC(=O)NNc1cccc([N+](=O)[O-])c1	267885253	PYYAQQAVNIPFSD-GXFFZTMASA-N	324.337	1.415	50	20	DDGD	
CC(=O)NC1CCC(NC(=O)NNC(=O)c2ccccc2)CC1	263760644	RAQGMXXXXTYNDH-UHFFFAOYSA-N	318.377	1.078	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc(Br)cc1O	264936735	PJWSYWLVXOUJCS-UHFFFAOYSA-N	313.151	1.716	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](C)[C@H]1CCCCO1	271996048	CKIXXVUKWUCHTN-GXTWGEPZSA-N	305.378	1.897	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cn(C)nc1-c1cccs1	272690731	QHOMBCXNKYNMBN-UHFFFAOYSA-N	307.379	1.455	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N2CC=C(C#N)CC2)C1	270958100	QHCSLBXRBPIHBB-UKRRQHHQSA-N	303.406	1.953	50	20	DDGD	
CC[C@@H](NNC(=O)[C@@H](C)Oc1cccc(Cl)c1)C(=O)OC	279688920	FXOMDFGTELWFGE-BXKDBHETSA-N	314.769	1.680	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1cnc2c(c1)NC(=O)CO2	364283462	ZPVUTIYHTSXISC-UHFFFAOYSA-N	316.292	1.617	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc2c(c1)CCC(=O)N2	277148654	RBSOUOPTUQEKJE-UHFFFAOYSA-N	305.338	1.269	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H](C)NC(C)(C)CC)n1	275036452	QFBGWCBNMXJGNJ-GFCCVEGCSA-N	322.457	1.933	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)c1ccc(Cl)cc1O	270501494	WDHSCFQGMTYMOX-UHFFFAOYSA-N	300.742	1.479	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)C[C@H]1C=CCC1	273314582	WFFGTKGKEWGXOE-QWRGUYRKSA-N	311.382	1.403	50	20	DDGD	
Cc1cccc(C)c1OCCNC(=O)CN1CC=C(C#N)CC1	272630539	KIOJSVNNRPBERZ-UHFFFAOYSA-N	313.401	1.954	50	20	DDGD	
N#CCCCOc1cccnc1NC(=O)NNC(=O)C1CC1	276027423	DKXVZRMGRCYIBI-UHFFFAOYSA-N	303.322	1.327	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H](C)N(C)C2CC2)c1	272556990	GCDASBBNSDQZAW-NSHDSACASA-N	320.393	1.582	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CNS(=O)(=O)CBr	272850740	VJAORKQGOFLJPX-ZCFIWIBFSA-N	311.201	1.667	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@@H](CC(N)=O)C1	377166979	COMFZVNVNFDAJD-NSHDSACASA-N	312.801	1.076	50	20	DDGD	
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NNc1cccc(OC)n1	272422059	DNVGCHVSORDYIT-NXEZZACHSA-N	309.370	1.020	50	20	DDGD	
CC[C@H]1C[C@@H](C(=O)NNC(=O)c2cccc(OC)c2O)CCO1	272449850	JQDYEVHIROQSMZ-QWRGUYRKSA-N	322.361	1.367	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]32)cc1	289315940	FNUDHINZSYRLKO-RRFJBIMHSA-N	318.373	1.062	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNc1nc(-c2ccncc2)no1	280122622	BTEULBYITUBOOS-GXSJLCMTSA-N	315.333	1.580	50	20	DDGD	
CSSCCNC(=O)N1CCC[C@H]1c1nncn1C	287851093	NZPLWQIGYYYKHX-VIFPVBQESA-N	301.441	1.673	50	20	DDGD	
CSSCCNc1nc(NCCO)nc(NC(C)C)n1	286438420	MEEHPWPRCBELQN-UHFFFAOYSA-N	318.472	1.519	50	20	DDGD	
CSSCCNC(=O)CSc1nnc2ccccn12	285566866	CIIJHQNDFDWJKW-UHFFFAOYSA-N	314.461	1.949	50	20	DDGD	
COCCOCc1cc(C(=O)NN(C)C(=O)OC)ccc1F	286365271	NIAYKTSLMMGFLC-UHFFFAOYSA-N	314.313	1.332	50	20	DDGD	
O=C(NCC(Cl)Cl)c1ccc(N2CCNC2=O)cc1	288297767	SGUKWFNHADCVDR-UHFFFAOYSA-N	302.161	1.750	50	20	DDGD	
CCCc1nnc(SCC(=O)NCCSSC)n1N	291676611	QTLJQBGWZZZFNN-UHFFFAOYSA-N	321.497	1.164	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)C(=O)OC(C)(C)C)cc1C	291959948	REGAIKNVSRIASP-UHFFFAOYSA-N	322.361	1.957	50	20	DDGD	
O=C(Cc1ccc(O)cc1)NNc1ccc2c(=O)[nH]ccc2c1	803430046	SOJPMWJSOUCMBE-UHFFFAOYSA-N	309.325	1.920	50	20	DDGD	
C#CCOc1cccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)c1	296525818	DDZOQLUTIHZDQF-AWEZNQCLSA-N	317.345	1.420	50	20	DDGD	
CCOc1ncc(C)cc1NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	296917031	DNABLWCGNFJWAY-JQWIXIFHSA-N	322.365	1.509	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CC2CC2)cc1OC(F)F	294058191	GEJHMPHLOPLSAD-UHFFFAOYSA-N	314.288	1.858	50	20	DDGD	
CC[C@@H](C)CONC(=O)NNc1ccc(-n2ccnc2)nn1	292510558	GUHQZBMLYYDKCU-SNVBAGLBSA-N	305.342	1.266	50	20	DDGD	
Cc1cc(OCC(=O)NNc2ncccc2F)ccc1[N+](=O)[O-]	804219354	IDEWNMCKSSOHQP-UHFFFAOYSA-N	320.280	1.959	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1cnc2[nH]c(O)nc2c1	809741619	QGNMOHLZKOROMI-UHFFFAOYSA-N	309.289	1.297	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNC(=O)c1cc2ccccc2o1	295212558	XJACOFLEINGQRU-SNVBAGLBSA-N	308.359	1.308	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	297077155	CYBPXKGYBIMHBO-JSGCOSHPSA-N	305.378	1.435	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCCn2cccn2)cc1	297739108	ZYFUUASXZWJTAD-UHFFFAOYSA-N	303.366	1.998	50	20	DDGD	
O=C(NC[C@@H]1CCOC1)NNC(=O)Nc1cccc(Cl)c1	296324655	LEZBAIPLROJADO-VIFPVBQESA-N	312.757	1.712	50	20	DDGD	
C[C@@H](CN1CCCCC1)NC(=O)NNC(=O)c1ccccc1F	298711752	JIDXRSZQPQPIRI-LBPRGKRZSA-N	322.384	1.644	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@]1(C)Cc2ccccc2C(=O)O1	298197255	GOPAXLWVARLZQC-INIZCTEOSA-N	304.346	1.352	50	20	DDGD	
O=C(COc1ccc(Cl)c(F)c1)NNC(=O)CC1CC1	294323756	YLLWGMLMEZGTTI-UHFFFAOYSA-N	300.717	1.805	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C1C(C)(C)C1(C)C	807371090	BVUYABFEXDEXJR-UHFFFAOYSA-N	300.399	1.605	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2ccccc2F)ccn1	806981377	RWNDRPUPCPETSD-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
O=C(NNc1ncccc1F)Nc1cccc2c1CNC2=O	806754392	RQKUHMFRDFCUFQ-UHFFFAOYSA-N	301.281	1.613	50	20	DDGD	
CCc1oc(C=NNC(=O)c2cnn(C)c2)cc1C(=O)OC	800812879	NKCFQRNJRXYCCW-UHFFFAOYSA-N	304.306	1.126	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C	296099988	QZKDKHZZRWGKFM-UHFFFAOYSA-N	317.323	1.103	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1cccc(-n2ccnn2)c1	807966312	YDQCAMWROXVZRQ-UHFFFAOYSA-N	314.349	1.033	50	20	DDGD	
C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(C/C=C/C#N)C1=O	298276651	LSYXFFMFPHLKPS-KZSQQDEKSA-N	313.313	1.305	50	20	DDGD	
CCCNC(=O)NN=Cc1ccc(Cl)c(S(N)(=O)=O)c1	814820145	YKNUQPYLSMXIQG-UHFFFAOYSA-N	318.786	1.031	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NOCCOC(C)C)c1ccccc1	812948925	JEERIQLMQABLDW-CQSZACIVSA-N	323.393	1.867	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCC[C@@]2(O)C[C@H]3CC[C@H]2C3)n1	813787782	LWSKYQMRYWWJDC-HEHGZKQESA-N	319.409	1.661	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)cn1	814684549	YEZLYUZHYWRTPF-UHFFFAOYSA-N	314.305	1.215	50	20	DDGD	
CCCN(CC)C[C@H](C)NC(=O)NNc1nc2ccccn2n1	812702434	ZBAWRLIOISMXDB-LBPRGKRZSA-N	319.413	1.476	50	20	DDGD	
C[C@H]1Oc2ccccc2[C@@H]1NC(=O)NNC(=O)CC(F)(F)F	812430569	NIWJVQHOYCUQFE-RDDDGLTNSA-N	317.267	1.791	50	20	DDGD	
CN(NC(=O)[C@H]1CCCCN1C(=O)c1cccs1)C1CC1	819643689	KNOOUPHZPWZQBH-GFCCVEGCSA-N	307.419	1.868	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2cc(Cl)nc(Cl)c2)CN1	818915061	KUXBUJNLZKIUDY-LURJTMIESA-N	303.149	1.358	50	20	DDGD	
C[C@@H](OCc1ccccc1)C(=NNC(=O)C(N)=O)C(F)(F)F	811630175	VPWYADZTPUCPKW-MRVPVSSYSA-N	317.267	1.112	50	20	DDGD	
COc1ncc(C=NNC(=O)COc2ccc(F)cc2)s1	812225114	RLESGJWQGIOLRW-UHFFFAOYSA-N	309.322	1.820	50	20	DDGD	
COC(=O)Cc1occc1C(=O)NNc1cccc(Cl)n1	817011606	BHSLCDGPNQNDDQ-UHFFFAOYSA-N	309.709	1.800	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NNc1cccc(Cl)n1	814316980	XWRLRLBSDDJESA-BDAKNGLRSA-N	311.773	1.276	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(NC(=O)NN(C)C)c1	816406122	GFLRPTIOEKTQMU-GWCFXTLKSA-N	306.366	1.648	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(Br)cn1CC	823855682	BOZBLWRFQVBNRG-UHFFFAOYSA-N	304.188	1.230	50	20	DDGD	
C=C(C)C(C)(C)C(=O)OCC(=O)NNC(=O)c1cccs1	821444491	JKBFFTKVCXMOSY-UHFFFAOYSA-N	310.375	1.655	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NC[C@H](CO)[C@H]1CCOC1	491012228	QOBSOQKFIIYDKF-CTXSEGDPSA-N	316.357	1.060	50	20	DDGD	
CNc1ccc(C(=O)NNC(=S)NCC2CCC2)cc1F	824327474	GZAPEJFMXHTIGU-UHFFFAOYSA-N	310.398	1.776	50	20	DDGD	
O=C(NCCOC1CCC1)NNc1cccc(-c2nn[nH]n2)c1	823206009	FULLDZYQMFRBEQ-UHFFFAOYSA-N	317.353	1.062	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1	823961260	ANGFEOFWCFLWTJ-UHFFFAOYSA-N	309.326	1.766	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C/c1c(Br)c(C)nn1C	491006554	DQKYOXDNUUHJER-RMKNXTFCSA-N	309.167	1.700	50	20	DDGD	
CCn1cc(CNC(=O)NNc2cc(F)cc(Cl)c2)nn1	821723339	WJLNWBOQEBABKS-UHFFFAOYSA-N	312.736	1.917	50	20	DDGD	
CC(=O)Nc1c(C)cccc1C(=O)NNC(=O)c1ccccn1	729295942	JNSFHYAUELZAKM-UHFFFAOYSA-N	312.329	1.423	50	20	DDGD	
CN1CC[C@]2(CCN(C(=O)[C@]3(C)C[C@H]3Br)C2)C1	908364454	ZVEROMFOCFTHAT-RTXFEEFZSA-N	301.228	1.714	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1CCCC1=NNC(=O)c1ncccn1	496038341	CZBGOIVLMRKSKJ-SNVBAGLBSA-N	319.365	1.640	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCCCCc2ccccc21	584952975	RNTNYZBUEOUWGY-UHFFFAOYSA-N	309.174	1.740	50	20	DDGD	
COc1ncccc1C(=O)NNc1ccccc1S(C)(=O)=O	732301570	DNHLASGFMTZCEM-UHFFFAOYSA-N	321.358	1.251	50	20	DDGD	
Cn1cc(C(=O)NN=C2CCN(CC(F)(F)F)CC2)cn1	735413309	KINJEKZPVBBSAF-UHFFFAOYSA-N	303.288	1.164	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@@H]1COc2cc(F)ccc2C1	822512474	FEKGZHBDTYAJDJ-LBPRGKRZSA-N	307.325	1.260	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCCC2(CCCCC2)C1	584946456	RMTFAXHWMKXJGK-UHFFFAOYSA-N	319.185	1.692	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCc3ccccc3CC2)cn1	491085324	QIBVQAKTCJQWAR-YVLHZVERSA-N	306.369	1.954	50	20	DDGD	
CC(=O)NCC1CCN(C(=O)[C@]2(C)C[C@@H]2Br)CC1	906396005	GJXGSZICJGKCOO-WCQYABFASA-N	317.227	1.535	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1cn(C)c2ccccc12)N(C)C	836193297	LKNRPUIIEFNUQI-NSHDSACASA-N	317.393	1.072	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCCn1cccn1)c1ccccc1	734279418	JHFFAVLSPBFTIB-UHFFFAOYSA-N	315.377	1.191	50	20	DDGD	
OB(O)c1ccccc1CNc1ccccc1CN1CCCC1	585013314	QVZDWDHOOFQXRV-UHFFFAOYSA-N	310.206	1.574	50	20	DDGD	
CCC[C@@H]1CCC[C@@H]1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	832894529	QIBUZGVUWBBOBR-RDBSUJKOSA-N	316.467	1.695	50	20	DDGD	
CSSCCNC(=O)NCc1nc(C(C)(C)C)n[nH]1	838588371	SOFWCYQOCKRBST-UHFFFAOYSA-N	303.457	1.913	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccc1	836381421	DGMMHPIWGCLQAJ-KBPBESRZSA-N	321.377	1.274	50	20	DDGD	
CCc1c(C(=O)NNC(=O)[C@H]2CCCCO2)cnn1CC(C)C	833246898	UEFZNZSXDMDGQG-CQSZACIVSA-N	322.409	1.432	50	20	DDGD	
CC[C@@H](CC(C)C)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	839225816	PSAZKWQSTGWWTL-STQMWFEESA-N	304.456	1.551	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2)c1ccccc1	837411815	YRQMTMOZRJEDDP-MYPMTAMASA-N	314.385	1.943	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)COc1ccc(F)cc1	905129385	FLKHCVFISDRYJE-ZFWWWQNUSA-N	322.336	1.333	50	20	DDGD	
Cc1ccc([C@@H](O)[C@H](C)NCc2ccc(B(O)O)cc2F)cc1	585047606	DTKHXTMTKRRZOE-SJCJKPOMSA-N	317.169	1.026	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(C)C2CC(C)(C)C2)c1	839191282	GMEMCDPWCSSWGG-UHFFFAOYSA-N	303.406	1.876	50	20	DDGD	
O=C(CN1CCNCC1)NN(c1ccccc1)c1ccccc1	834598135	NQMMLCJTAJAKPC-UHFFFAOYSA-N	310.401	1.761	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)N[C@H]1C[C@H]2CC[C@H]1C2	738137131	NHVINGXALXCPNJ-KWBADKCTSA-N	313.365	1.681	50	20	DDGD	
O=C(CCOc1ccc(F)cc1Cl)N1CC[C@H](B(O)O)C1	585077365	RPJSTNMJNOELMO-VIFPVBQESA-N	315.537	1.323	50	20	DDGD	
Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(B(O)O)c(F)c2)o1	584949261	FBZOZRJYHDENRY-AWEZNQCLSA-N	317.125	1.384	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2C[C@H](C)n3ccnc32)n1	836630229	ZFEAJARAGLKVDG-VHSXEESVSA-N	302.338	1.619	50	20	DDGD	
CN1/C(=C/C=NNC(=O)NCC(=O)O)C(C)(C)c2ccccc21	833698327	SKKNNWWWROHYKS-VVMABDMOSA-N	316.361	1.668	50	20	DDGD	
CO[C@H]1CCN(CC(=O)NNC(=O)c2cccc(C)c2)C[C@H]1C	831535695	XYWCCFQFNVHSHW-HIFRSBDPSA-N	319.405	1.113	50	20	DDGD	
Cc1ccc(F)c(C(=O)NN(C)C[C@H](C)O)c1Br	910152492	MKWIARHKHOSHGS-QMMMGPOBSA-N	319.174	1.854	50	20	DDGD	
O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	913731548	MOVMOPIRNJRXLK-MELADBBJSA-N	321.421	1.363	50	20	DDGD	
COc1cc(NNC(=O)[C@H](CC(C)C)C(N)=O)ccc1Cl	839745663	BCUYHIOULSHHHM-SNVBAGLBSA-N	313.785	1.939	50	20	DDGD	
COCCOc1ccc(C(C)=NNC(=O)N2CCOCC2)cc1	745592136	PJMRHAQXQUVKGL-UHFFFAOYSA-N	321.377	1.478	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C[C@@H](C)c2cnn(C)c2)n1	839695912	MWUVKLBSVQKVFV-SECBINFHSA-N	304.354	1.164	50	20	DDGD	
COc1ccccc1[C@H](C)CC(=O)NNc1nccn(C)c1=O	747942449	WHXBGQBNKKTSTK-LLVKDONJSA-N	316.361	1.426	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCCC(=O)O)c1F	840992571	JFPDVJRTDLNGSN-UHFFFAOYSA-N	313.285	1.103	50	20	DDGD	
O=C(NC[C@H]1COCCO1)NNc1ccc(Cl)c(F)c1	746757027	MMHQBSDXOZBNCF-VIFPVBQESA-N	303.721	1.521	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1cn2cc(Cl)ccc2n1	842557404	QJOZIBIYLBXQIL-BXKDBHETSA-N	306.753	1.863	50	20	DDGD	
COc1cc(CCC(=O)NNC(=O)Nc2ccccc2C)on1	847115504	IYEYMOJZQPHDIG-UHFFFAOYSA-N	318.333	1.777	50	20	DDGD	
CC(=NNC(=O)Cc1ccncc1)c1ccc([S@@](C)=O)cc1	747641484	CLDJZZSEIRKFJB-JOCHJYFZSA-N	315.398	1.902	50	20	DDGD	
C[C@@H](Cc1cnc[nH]1)C(=O)NNC(=O)Cc1ccc(F)cc1	847291808	XQMBQPCNZXNFKT-JTQLQIEISA-N	304.325	1.118	50	20	DDGD	
CCCN(CCC)CCCC(=O)NNC(=O)[C@H]1CCO[C@H]1C	843975199	QHKGGDIWRMPXQF-KBPBESRZSA-N	313.442	1.461	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)C2CCC(O)CC2)n[nH]1	841411629	CYEBEDWNCBLAGA-UHFFFAOYSA-N	308.382	1.056	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccccc2)cnn1-c1ccccn1	914708584	FVMKWFMOMBRHHZ-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)[C@@H]1CCO[C@H]1C)OCO2	842550995	BBXIVFCIPAQWFZ-GXSJLCMTSA-N	306.318	1.299	50	20	DDGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)C1SCCS1	842246273	BEYUYZURNXJNAT-UHFFFAOYSA-N	303.340	1.983	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1cn(C)nc1-c1cccnc1	842560282	ZCGNEIJSWAKJHT-RISCZKNCSA-N	313.361	1.357	50	20	DDGD	
CCN1CCC[C@H]1CNC(=S)NNC(=O)CC1CCCC1	749460453	VLBGVYKXXIAXLC-ZDUSSCGKSA-N	312.483	1.546	50	20	DDGD	
O=C(NNc1ncncc1F)N[C@H]1CCCN2CCCC[C@@H]12	848675275	VXANOKIPOKUREW-RYUDHWBXSA-N	308.361	1.259	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccc(F)cc2)c(O)n1	916746512	SGDOMTGVUMUNCF-UHFFFAOYSA-N	303.293	1.238	50	20	DDGD	
CCc1cc(C(=O)NN=c2sc3ccccc3n2C)n[nH]1	914755742	UUZYMTJMKCMHCM-UHFFFAOYSA-N	301.375	1.771	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cc(F)ccc1[N+](=O)[O-]	747322923	CNDGBPAJUWKFMV-UHFFFAOYSA-N	318.264	1.133	50	20	DDGD	
CCCN1CCC[C@@H](C(=O)NNC(=O)OCC(F)(F)F)C1	912597395	SYTDFKANNJVLNI-SECBINFHSA-N	311.304	1.428	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccc(OC(F)F)cc1)C(=O)O	848585978	QDWCDMMTLFOSRX-ZETCQYMHSA-N	303.265	1.635	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1ncccn1)C1CCCCC1	841576693	FKYXPBVVAJHLEU-LBPRGKRZSA-N	305.382	1.780	50	20	DDGD	
O=C(NN=C1CCN(c2cnccn2)CC1)c1ccc(O)cc1	915936538	QSZOQJOYBUWPLQ-UHFFFAOYSA-N	311.345	1.568	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	843657356	QKKISTSZZUSRQN-ZWNOBZJWSA-N	320.345	1.049	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)NC(C)C)ccc1Cl	848450327	ZQOLWRLQIOPEEZ-UHFFFAOYSA-N	305.787	1.549	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccc(-c2cnn(C)c2)c1	741676777	SRMHXCFJJZBDLT-UHFFFAOYSA-N	315.377	1.831	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1cccc(-n2ccnn2)c1	842562894	ZTYVUQVQYJTXTQ-WFASDCNBSA-N	313.361	1.533	50	20	DDGD	
Cc1ccc(-c2n[nH]cc2C=NNC(=O)[C@H]2CCO[C@@H]2C)o1	842555727	KVGDELJCFASSJG-PWSUYJOCSA-N	302.334	1.853	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)C[C@@H](C)n1ccnc1	846062726	KHOYHUCPYZQGCO-GFCCVEGCSA-N	301.350	1.996	50	20	DDGD	
CCC[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccccn1	843972862	VQWNQVKQDQTWME-XQQFMLRXSA-N	305.378	1.538	50	20	DDGD	
CCc1cccc(NC(=S)NNC(=O)[C@H]2CCO[C@H]2C)c1	843276608	DSUVODBBBOCXDH-GWCFXTLKSA-N	307.419	1.992	50	20	DDGD	
COC[C@@H](NCC(=O)NNC(=O)C(C)(C)C)c1ccc(C)o1	754349364	WPZBUCHWLQRIQV-LLVKDONJSA-N	311.382	1.059	50	20	DDGD	
O=C(NN=Cc1cc2ccccc2s1)[C@@H]1CCS(=O)(=O)C1	758372731	AJARZCMFEQBBCS-LLVKDONJSA-N	322.411	1.786	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)[C@H]2CCO[C@H]2C)cc1F	853368072	BBULCJIXVZMUPL-ONGXEEELSA-N	308.309	1.487	50	20	DDGD	
CN(C[C@@H]1CCCN1C)C(=O)NC[C@]1(C)C[C@H]1Br	856894707	WKHYHZXJBYFGQJ-LOWVWBTDSA-N	318.259	1.896	50	20	DDGD	
O=C(Cc1ccc2c(c1)COC2)NNC(=O)NC1CCCCC1	754831059	FYNODSYIXVKSPC-UHFFFAOYSA-N	317.389	1.922	50	20	DDGD	
O=C(NCCC1(O)CCOCC1)NNc1cc(F)ccc1F	922426240	KHORFDNZNQIJQU-UHFFFAOYSA-N	315.320	1.523	50	20	DDGD	
C#CCN1CCC(C(=O)NC[C@]2(C)C[C@@H]2Br)CC1	857400272	HMYDENPPFMBNSG-JSGCOSHPSA-N	313.239	1.621	50	20	DDGD	
C[C@@]1(CNC(=O)N[C@@H]2CC[C@H](C(N)=O)C2)C[C@H]1Br	856862657	GJCXCRGYNRAWPG-HAYRHPOISA-N	318.215	1.113	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](c1nccn1C)C(C)(C)CO	855113087	QUBBHEOTALTAHX-MMRAYRKESA-N	306.366	1.040	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CC[C@H]1CC1(Cl)Cl	855007703	YDXBPXSEHRYJDD-CIUDSAMLSA-N	309.193	1.533	50	20	DDGD	
O=C(NCCOCCF)NNC(=O)Nc1cc(F)cc(F)c1	852715020	UREIRVSVPFCTOZ-UHFFFAOYSA-N	320.271	1.287	50	20	DDGD	
COCc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cc1	853387770	MUYQARHACRMBNK-CVEARBPZSA-N	317.389	1.146	50	20	DDGD	
CN(Cc1nccn1C)C(=O)NC[C@]1(C)C[C@H]1Br	856954764	SYCAFBCGTNQVOD-SKDRFNHKSA-N	315.215	1.735	50	20	DDGD	
O=C(O)[C@]1(C(=O)NNc2ccccc2[N+](=O)[O-])C[C@H]2CC[C@H]1C2	852945078	ADDZZJYJIMSXKS-AMJWSMQMSA-N	319.317	1.929	50	20	DDGD	
CN(C)c1nccc(NNC(=O)Cc2ccc(F)cc2F)n1	755822477	QXVFRUZJOAYLLF-UHFFFAOYSA-N	307.304	1.507	50	20	DDGD	
CCn1nccc1[C@@H]1OCCC[C@H]1C=NNC(=O)CN(C)C	853301587	IZHJBLFBZUMBRP-SWLSCSKDSA-N	307.398	1.034	50	20	DDGD	
Cc1noc([C@H]2CCCN(C(=O)NNC(=O)C3CCCC3)C2)n1	753338863	GLMNCRLXZUVDEA-LBPRGKRZSA-N	321.381	1.488	50	20	DDGD	
Cc1n[nH]c(C)c1CCC(=O)NNC(=O)OCC(F)(F)F	856021425	OOVMGNJCHNIYJO-UHFFFAOYSA-N	308.260	1.279	50	20	DDGD	
O=C(CCCN1C(=O)CCC1=O)NNc1ccnc(Cl)c1	855468945	NDJPNKLLIQEHMJ-UHFFFAOYSA-N	310.741	1.107	50	20	DDGD	
COc1ccc(CC(=O)NC[C@@]2(C)C[C@H]2Br)nc1	857387718	MBQQTQGGFUGWCK-DGCLKSJQSA-N	313.195	1.922	50	20	DDGD	
COCc1csc(CNC(=O)/C(C#N)=C\c2cnn(C)c2)c1	855779322	NGWAIZAOKFBVJF-DXNYSGJVSA-N	316.386	1.851	50	20	DDGD	
CC(C)(C)NCCC(=O)NNC(=O)COc1ccc(F)cc1	929291221	MPCZEFCPJIPJFS-UHFFFAOYSA-N	311.357	1.130	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(C3CC3)on2)nc1	759730154	CWLCMQYHBKRFRL-UHFFFAOYSA-N	302.290	1.491	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)CCc1ccc(OC)c(O)c1	754974682	XHMUMZWDMWTMHH-UHFFFAOYSA-N	323.349	1.182	50	20	DDGD	
CC(C)N1CC(=NNC(=O)CCCNC(=O)C(C)(C)C)[C@H](C)C1	853407858	YBSDFIAYZYOYNZ-CYBMUJFWSA-N	324.469	1.761	50	20	DDGD	
CCn1cc(CNC(=O)[C@@H](Br)C(C)(C)C)nn1	855612968	JZBZWQFGJYNNDH-SECBINFHSA-N	303.204	1.724	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])C(F)(F)c1nccs1	757671591	WFBMZFMLGWKCLG-UHFFFAOYSA-N	315.261	1.681	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NNc2ncc(Cl)cn2)C1	857871938	YSYWDRSCLCMOHP-XVKPBYJWSA-N	306.757	1.662	50	20	DDGD	
CN(C)CCCN(C)C(=O)NC[C@]1(C)C[C@@H]1Br	856953384	RMLYPMYXZVAGIF-JQWIXIFHSA-N	306.248	1.753	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNc1ncc(Cl)cn1	857356492	NAEKKLUTJKSGLN-UHFFFAOYSA-N	301.734	1.098	50	20	DDGD	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NNC(=O)CO	756487247	INZSYHPBBXZZQP-VIFPVBQESA-N	308.363	1.226	50	20	DDGD	
CC[C@@H](C)OCC(=O)OCC(=O)NNC(=O)c1cccc(C)c1	751881422	SKSOPZNOQHAJGR-GFCCVEGCSA-N	322.361	1.114	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1ccc(Cl)cn1	856093985	TZQSASMPSDFLOH-UHFFFAOYSA-N	300.746	1.657	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Nc2ccc(C#N)cc2)nc1	758511423	UEHBIDDRKCBSOQ-UHFFFAOYSA-N	311.301	1.888	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NN=CC1CCOCC1	755731739	WATKHHRWMDVICC-UHFFFAOYSA-N	314.386	1.223	50	20	DDGD	
CSC(C)(C)C(=O)NNC(=O)c1nnc(O)c2ccccc12	854202437	CULVJIQNGGBEIX-UHFFFAOYSA-N	320.374	1.238	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2O)C1(C)C	753552223	UDEPUNJGJJAEJB-RYUDHWBXSA-N	307.350	1.150	50	20	DDGD	
CCCC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1cccnc1	853391112	ZJRUFWLGYZASLY-ZBFHGGJFSA-N	316.405	1.565	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)c2ccccc2)c(F)c1	758845578	KLNQSIVUVYNJRC-UHFFFAOYSA-N	317.320	1.979	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1C[C@H]2CC=CC[C@H]2C1	868230775	OFTLDYFXQPGTMK-BETUJISGSA-N	315.373	1.948	50	20	DDGD	
CC(C)O[C@@H](C=NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1	863149512	BDJGTGYFAYWNIE-KBPBESRZSA-N	303.362	1.533	50	20	DDGD	
C[C@@H](NNC(=O)Cc1cccc(F)c1[N+](=O)[O-])C(F)(F)F	869377340	XBYAICYCTGMHNE-ZCFIWIBFSA-N	309.219	1.848	50	20	DDGD	
C[C@H]1C[C@@H](CC(=O)NNC(=O)CS(C)(=O)=O)CC(C)(C)C1	863460784	MQQFBSXYILKDTF-QWRGUYRKSA-N	318.439	1.031	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)Nc2cccc(C(F)F)c2)N1	860566573	GUOGYZWXIOVFRX-SECBINFHSA-N	312.276	1.056	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)Nc2ccc(C3CCC3)cc2)N1	861026870	PNAKJIPYOWRBEP-CYBMUJFWSA-N	316.361	1.385	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccc(CN2CCCC2)cc1	762080262	PJMIPOYJAGEEKY-UHFFFAOYSA-N	315.352	1.968	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NC[C@H](OC)c1cccc(OC)c1	864349912	YPFDIXYNKJOXLF-WVUXNXBLSA-N	304.346	1.943	50	20	DDGD	
COc1nccnc1NNC(=O)C(=O)Nc1cc(F)ccc1C	766264365	JYMKNZWDZMYSRX-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCC2(CO)COC2)cc1	763631091	LSLMQMYEXGAODX-AUWJEWJLSA-N	317.341	1.544	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)/C=C\CN1CCOCC1	868734791	DABRLMRRHSZNNG-UTCJRWHESA-N	309.797	1.980	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(C(C)=O)cc1F	764471581	ZVEFKFZKOMWIHD-UHFFFAOYSA-N	304.281	1.584	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2ccc(C#N)cc2)CCN1C(C)C	931163912	LDXQHRUBZOUUQW-UHFFFAOYSA-N	312.373	1.707	50	20	DDGD	
Cc1cccc(NNC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])n1	862522000	FMWMGTLOFASFEQ-UHFFFAOYSA-N	304.310	1.902	50	20	DDGD	
Cc1cc(C(=O)NN=c2cc[nH]cc2)n(C2CCOCC2)n1	860675503	AXHZHSZVJQVDPB-UHFFFAOYSA-N	301.350	1.117	50	20	DDGD	
C[C@@H](NNC(=O)CNC(=O)Nc1ccccc1)C(F)(F)F	862305997	ALFPEOWOYJVSIW-MRVPVSSYSA-N	304.272	1.380	50	20	DDGD	
Cc1cccc(NNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)n1	862524295	WRYUFQPIXBCIPF-UHFFFAOYSA-N	318.337	1.645	50	20	DDGD	
COCc1nc(C)c(C(=O)NNC(=O)CC(F)(F)F)s1	760138161	DFFXUMSFTDKOFB-UHFFFAOYSA-N	311.285	1.311	50	20	DDGD	
COc1ccc2oc(C)c(C(=O)NNC(=O)C(C)(C)O)c2c1	768245647	CZDWJHZYAZJWES-UHFFFAOYSA-N	306.318	1.282	50	20	DDGD	
CC(C)[C@H](NC=O)C(=O)NNc1nc2ccccc2[nH]c1=S	862294724	PHYLMYRWWNSZBI-NSHDSACASA-N	319.390	1.506	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cnn2ncccc12	765468192	ZTLRGDKYOIXDKJ-UHFFFAOYSA-N	307.235	1.904	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1ccnn1C1CCCC1	765119385	PPUUQGATMYAAIV-UHFFFAOYSA-N	317.349	1.735	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cnc(C2CCC2)s1	760260529	NITUVDKKVIVPHI-JTQLQIEISA-N	311.407	1.912	50	20	DDGD	
Cn1cc(C=NNC(=O)N2CCOCC2)c(-c2cccs2)n1	769573866	HWXSSGLWGWRVOD-UHFFFAOYSA-N	319.390	1.524	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(C)nn1-c1cc(C)ccn1	879394886	SXNMUEQVTLOGQZ-UHFFFAOYSA-N	318.381	1.499	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1c[nH]c(Br)c1	1116196277	WBOSITXALFACGW-UHFFFAOYSA-N	323.150	1.176	50	20	DDGD	
O=C(NNc1ccccn1)c1ccc(CN2CCOCC2)o1	879394552	KIDUFCIANJPMCN-UHFFFAOYSA-N	302.334	1.264	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CO[C@@H]2CCOC2)c(C)c1	1119093275	QIHRTOBHZWEFIH-GFCCVEGCSA-N	323.418	1.427	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@@]2(C)CCO[C@H]2C2CC2)cc[nH]1	875500593	VPQWIHPGJJYILD-GOEBONIOSA-N	304.394	1.643	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1cccc(F)c1F	776258955	BTIABDNQLSFTCF-UHFFFAOYSA-N	321.283	1.828	50	20	DDGD	
CC(C)c1ncc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)[nH]1	1116125330	IWAJZBIFSRZJPY-UHFFFAOYSA-N	317.305	1.516	50	20	DDGD	
COCC1=CCN(CC(=O)NNC(=O)c2ccc(C)cc2)CC1	775825763	FZVUYJAJRMZTPH-UHFFFAOYSA-N	317.389	1.035	50	20	DDGD	
O=C(NCCOCC(F)(F)F)NNc1cc(Cl)ccn1	778612892	HDWKMCUWAMHAHZ-UHFFFAOYSA-N	312.679	1.940	50	20	DDGD	
Cc1nc(C)c(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)o1	772170535	ROHJIYXBAPIRRI-SECBINFHSA-N	311.338	1.030	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccccc2F)cc1O	779512440	BPGLQZOOZICHMM-UHFFFAOYSA-N	302.305	1.843	50	20	DDGD	
CC(=NNC(=O)[C@H]1COc2ccccc2O1)c1cnn(C)c1C	778534046	VEKJPVVAFFSEAK-OAHLLOKOSA-N	314.345	1.409	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc(C)c1Cl	772213678	SLKSKKRXLSZFFX-SECBINFHSA-N	312.753	1.751	50	20	DDGD	
Cc1cccc(C(=O)NNc2cccc(S(C)(=O)=O)c2)n1	776531133	USFKNZMIFBOVHU-UHFFFAOYSA-N	305.359	1.550	50	20	DDGD	
Cc1cc(F)ccc1C(=O)NNC(=O)COc1ccccc1O	771468976	DZSJDSKPMFEILQ-UHFFFAOYSA-N	318.304	1.680	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)Cc1ccccc1Cl)c1ccc[nH]1	771926325	ACZOIBWSWYCXAT-LBPRGKRZSA-N	307.737	1.033	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCCc2ccc(OC)cc21	779817031	HPFPBIZENYDXOQ-UHFFFAOYSA-N	305.334	1.208	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@H]1c1ccccc1)c1cccnn1	882059143	KRHLGHMPWCVVNP-UONOGXRCSA-N	310.357	1.822	50	20	DDGD	
COC(=O)NNC(=O)N[C@@H](CCc1ccccc1)C(F)F	881020708	OZNFZSKUPPQUJK-JTQLQIEISA-N	301.293	1.823	50	20	DDGD	
O=C(NCCc1ccc(F)cc1)NNC(=O)C1CCOCC1	883046466	KQYMRTBRBDASGN-UHFFFAOYSA-N	309.341	1.125	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@H](C)c1ccc(N)cc1	772297663	WCBHOVFXKXIZTO-WDEREUQCSA-N	321.377	1.252	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)n1	777372738	XPFGBDLTXPDYAQ-UHFFFAOYSA-N	315.377	1.761	50	20	DDGD	
C#CC[C@H](CO)NS(=O)(=O)c1ccc(CCCCl)cc1	882342493	BXPAURXSUPJPGZ-CYBMUJFWSA-N	315.822	1.521	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C(C)(C)C(C)C	784332957	FBHSSSCYBNBEST-NSHDSACASA-N	300.399	1.794	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(OC)c2c(c1)OCCO2	887139362	MEEBDXHUHNZGLH-UHFFFAOYSA-N	318.329	1.031	50	20	DDGD	
CCNC(=O)NNC(=O)c1c(F)ccc(Br)c1F	787203263	XWQNZCZSMMTHPX-UHFFFAOYSA-N	322.109	1.691	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@]2(C)CC(C)=NO2)ccc1F	1120742695	GQJNMQFTGCMDQM-CQSZACIVSA-N	309.297	1.610	50	20	DDGD	
N#Cc1ccc(NNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)nc1	889319851	FWEBNOPIVWFYDR-KBPBESRZSA-N	314.393	1.596	50	20	DDGD	
O=C(NNc1ncncc1Cl)Nc1cnc2c(c1)COCC2	782062007	NVUZZTZSPDBJAL-UHFFFAOYSA-N	320.740	1.746	50	20	DDGD	
CCCC(=O)N1CSC[C@@H]1C(=O)NNc1ccc(C#N)cn1	899662126	NFKPVNPVDZUZLO-LLVKDONJSA-N	319.390	1.098	50	20	DDGD	
CS(=O)(=O)N1CCC[C@H](CI)C1	86592888	DHIRHKKFNBRZEM-SSDOTTSWSA-N	303.165	1.093	50	20	DDGD	in-vitro
O=C(COC/C=C\c1ccccc1)NNc1nc2ccccn2n1	791243628	SXNWBDLGZQNAII-TWGQIWQCSA-N	323.356	1.902	50	20	DDGD	
CCOC1CC2(CCN(CC(=O)NNC(=O)C(C)(C)C)C2)C1	796529655	PUCZDZHSUYIVEJ-UHFFFAOYSA-N	311.426	1.071	50	20	DDGD	
Cn1cc(C(=O)NN=C2CCC[C@@H](c3ccnn3C)C2)cn1	790296183	CUBJIXZUXDRZOG-LLVKDONJSA-N	300.366	1.597	50	20	DDGD	
CC(C)n1cnc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1	798825273	MVEJHONUQQTVTN-UHFFFAOYSA-N	316.317	1.268	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)NCCC2(C)CC2)c1	792199319	LBNFFLSLJQUXQA-UHFFFAOYSA-N	321.377	1.838	50	20	DDGD	
CN(CC(C)(CO)CO)S(=O)(=O)c1ccc(CCl)cc1	689216745	MCPJSWMUPOAXDN-UHFFFAOYSA-N	321.826	1.037	50	20	DDGD	
COCc1cccc(NC(=O)C(=O)NNc2ncccc2C)c1	792378250	LSIPLRJTFDLNCB-UHFFFAOYSA-N	314.345	1.618	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)n1	794084540	SDPMKSBWYZPRLS-IBHVXFMWSA-N	323.396	1.545	50	20	DDGD	
Cn1cnc(C=NNC(=O)c2nn(-c3ccccc3)cc2O)c1	794485384	IRXRQIVZLFSSRT-UHFFFAOYSA-N	310.317	1.075	50	20	DDGD	
CC(C)(C)OC(=O)c1cccc(/C=C(\C#N)S(N)(=O)=O)c1	799894248	QBEMLJFINOEWTE-XYOKQWHBSA-N	308.359	1.795	50	20	DDGD	
CCc1ccnc(CNC(=O)NNC(=O)c2cccc(C#N)c2)c1	798063612	JRIPIAQAHHMFAR-UHFFFAOYSA-N	323.356	1.660	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)Cc2ccc(F)cc2)cn1C	790151096	DGQCZWYPFSFAFB-UHFFFAOYSA-N	317.320	1.644	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ncoc2C(C)C)cc1	1318397983	OQAKQCJOZXTAST-UHFFFAOYSA-N	303.318	1.881	50	20	DDGD	
CN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)CCl	1319682997	ULDHGIVSJINMTK-UHFFFAOYSA-N	319.810	1.556	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)c1cccc2c1OC(C)(C)C2	1321683995	CDQVZJZPVIUVIE-UHFFFAOYSA-N	312.391	1.366	50	20	DDGD	
CCCN1CC[C@@H](NC(=O)NNc2ccc(C(C)(C)C)nn2)C1	1327804701	VUTQPNAFSBDPNX-GFCCVEGCSA-N	320.441	1.885	50	20	DDGD	
CCOCc1ccc(NC(=O)C(=O)NNC(=O)CC(C)C)cc1	1320520471	OHZOWCBKUDSJPA-UHFFFAOYSA-N	321.377	1.355	50	20	DDGD	
C=C(Br)CNC(=O)NNc1nncc(N)c1Cl	1323991239	JSPMCPQZMVSCGE-UHFFFAOYSA-N	321.566	1.247	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H]1CCCN1c1ccccc1	1324815717	QVFLVGZIBNNHNV-CYBMUJFWSA-N	306.435	1.559	50	20	DDGD	
O=C(COCc1ccncc1)NNC(=O)Cc1ccc(F)cc1	1328862921	HEIKDQNZERQAQP-UHFFFAOYSA-N	317.320	1.127	50	20	DDGD	
Cc1cc(C(=O)NNc2ncc(F)cn2)n(C2CCOCC2)n1	1329947659	MDSYOWBXUFKJIY-UHFFFAOYSA-N	320.328	1.229	50	20	DDGD	
Cn1ccnc(NNC(=O)c2cc(Cl)ncc2Cl)c1=O	1320539443	ZFMNJCUSRLWMOM-UHFFFAOYSA-N	314.132	1.239	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@@H]2CCc3ccccc3C2)c1Cl	1326455460	KZXGSAYIRUGHBO-LLVKDONJSA-N	317.780	1.960	50	20	DDGD	
CN(CC(=O)NNc1ccc(C(C)(C)C)nn1)C(=O)C1CC1	1339253006	NKGCYUFZUYHWTO-UHFFFAOYSA-N	305.382	1.086	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1ccncc1	1332087688	GYLPLGXPGLUNKB-DRZSPHRISA-N	306.366	1.288	50	20	DDGD	
CSCC1CCN(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)CC1	1340266533	TWSXWDLZZFGWBI-JQWIXIFHSA-N	315.439	1.227	50	20	DDGD	
CCCN(C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br)C1CC1	1347967025	JOSRJBCYTSZZLH-GXFFZTMASA-N	317.227	1.677	50	20	DDGD	
C[C@@H]1CCN(c2nnnn2C[C@]2(C)C[C@H]2Br)C1	1352687994	SAOAUVXTVGECRQ-KKZNHRDASA-N	300.204	1.693	50	20	DDGD	
CCC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1cn[nH]c1	1603964474	DTKLADDULYSBOA-UHFFFAOYSA-N	310.321	1.134	50	20	DDGD	
O=C(NCc1cnccn1)NNc1ccc(F)c(C(=O)O)c1	1601546544	HEJIFNCZIKLMII-UHFFFAOYSA-N	305.269	1.140	50	20	DDGD	
Cn1ncc(C(=O)O)c1NC(=O)NNc1cccc(C#N)c1	1601024355	YWGARXIZDILEBC-UHFFFAOYSA-N	300.278	1.139	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CCCc3n[nH]cc32)cc1C(=O)O	1607810167	SNIXPWMWVRTVAZ-LLVKDONJSA-N	314.345	1.980	50	20	DDGD	
O=C(O)C1(NC[C@H](CBr)C2CC2)CCOCC1	1601718601	IPCQYVUXYLAJJR-JTQLQIEISA-N	306.200	1.631	50	20	DDGD	
CCC(CSc1ccccc1[N+](=O)[O-])=NNC(=O)C(=O)O	1609925468	UEYXWCRGAHWJEC-UHFFFAOYSA-N	311.319	1.654	50	20	DDGD	
O=C(CCC(=O)c1ccccc1)NNc1ccc(C(=O)O)cn1	1610655018	VQMJQSUZVORLDG-UHFFFAOYSA-N	313.313	1.886	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1cccc(F)c1F	1549320308	LVEULLZMALWWAY-FZMZJTMJSA-N	323.343	1.668	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1csc(Br)c1	1610782797	AVZFQTDKYAHUPU-UHFFFAOYSA-N	306.141	1.228	50	20	DDGD	
Cc1ccoc1C=NNC(=O)[C@H]1CCCO[C@@H]1c1nccn1C	1549309658	JDFXMHFFHBHOJJ-JSGCOSHPSA-N	316.361	1.940	50	20	DDGD	
COc1cccc(NNC(=O)[C@H](N)c2c(F)cccc2F)n1	1579282872	OQUYJJYMPMZBIP-CYBMUJFWSA-N	308.288	1.512	50	20	DDGD	
C[C@]1(CNC(=O)/C(C#N)=C/c2ccc(F)cc2)CNCCO1	1576507749	FLBNSHXLXGNPAY-WDBUWWRISA-N	303.337	1.227	50	20	DDGD	
O=C(NNc1cc(Cl)nc(Cl)c1)[C@H]1C[C@@]12CCNC2	1580736877	AVDNSULOZXMBKH-PRHODGIISA-N	301.177	1.831	50	20	DDGD	
CC(=O)C(=O)N1CCCC12CN(C(=O)C(C)(C)CCl)C2	1842609450	DPVZHYMSXYWNSV-UHFFFAOYSA-N	300.786	1.044	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCOC2)C1	1846691944	OIQCCTMILOPALA-VXGBXAGGSA-N	314.813	1.244	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)C(F)F)C1	1842665250	LNHGEOZCHMLVGH-SECBINFHSA-N	308.756	1.862	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@H](C(=O)O)C2CC2)cc1	1593711081	QPOULKWUCMVVFT-GFCCVEGCSA-N	320.349	1.016	50	20	DDGD	
C[C@H](CC(F)(F)F)C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1591759612	FXGGBNPNOFNOAV-ZCFIWIBFSA-N	315.259	1.293	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)Nc1cccc(F)n1	1593162710	ZLPCBCUJFVRONV-UHFFFAOYSA-N	314.284	1.549	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1cscc1Cl	1593163074	INBMSSGZYIQUGH-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
CSc1c(C(=O)NNc2cccc(C(=O)O)c2C)cnn1C	1599804358	IDLJYRJTRBLAEF-UHFFFAOYSA-N	320.374	1.906	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H]1CC[C@@H]1C(=O)O)c1ccccc1	1594736076	JHBABJIAZXQRIC-UPJWGTAASA-N	304.346	1.438	50	20	DDGD	
CCCNC(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1[N+](=O)[O-]	1776812980	AHWPIVWXFLDIRL-IZZDOVSWSA-N	303.274	1.726	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1cc2[nH]c(C(=O)O)cc2o1	1777033810	XBTYBAUMAJFVDW-BAQGIRSFSA-N	309.303	1.215	50	20	DDGD	
CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]2C1	1791294308	MMYHMRHBNHPSDC-GUBZILKMSA-N	323.220	1.180	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc2nccnc2c1	14895095	WRNOBXSECCLBGO-UHFFFAOYSA-N	303.391	1.537	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNc1ccc([N+](=O)[O-])cc1	150870750	VBQANXQBFMMAJI-UHFFFAOYSA-N	320.330	1.529	50	20	DDGD	
CCC1(C(=O)NNC(=O)CNC(=O)c2ccco2)CCCC1	158444327	XREBPPFQBWFRTM-UHFFFAOYSA-N	307.350	1.127	50	20	DDGD	
Cn1/c(=N/NC(=O)C[C@@H]2COC(=O)C2)sc2ccccc21	164078630	GWYBFEQRBDBMCX-HXPJWWMGSA-N	305.359	1.125	50	20	DDGD	
CN(C)c1cccc(CNC(=O)NNC(=O)CC(C)(C)C)n1	164171888	ORWHZOPSJYLAOO-UHFFFAOYSA-N	307.398	1.414	50	20	DDGD	
COC(=O)c1[nH]c(C)c(C(=O)NNC(=O)c2ccc(C)o2)c1C	164456495	IJBQKHKMNIGPOP-UHFFFAOYSA-N	319.317	1.394	50	20	DDGD	
C[C@H](C[S@@](C)=O)NS(=O)(=O)c1ccc(CCCl)cc1	168099698	ABYPRKDOJIDRLJ-MGNBDDOMSA-N	323.867	1.513	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNc1cccc([N+](=O)[O-])c1	151588590	VWUSVXFNTAKGOJ-UHFFFAOYSA-N	322.365	1.980	50	20	DDGD	
COCCOc1cccc(CC(=O)NNc2ncccn2)c1	154969981	SXJWMMQTQMRDQE-UHFFFAOYSA-N	302.334	1.188	50	20	DDGD	
CN(NC(=O)CCCNC(=O)OCc1ccccc1)C1CC1	819646733	CJYHEYMINKMDQU-UHFFFAOYSA-N	305.378	1.818	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)N(C)NC(=O)OCc1ccccc1	862290091	MYPMOPZSSGMHKO-UHFFFAOYSA-N	308.334	1.628	50	20	DDGD	
CC(C)Cc1ccc(CC(=O)NNC(=O)Cc2cc[nH]n2)cc1	106452336	AHTNXIQQUIYIBH-UHFFFAOYSA-N	314.389	1.541	50	20	DDGD	
CNC(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl	56377122	DTQKDXOGKFGFCK-ZCFIWIBFSA-N	306.149	1.721	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc3ccccc3n2)nc1	107532942	SFHHZEVLBOFGHS-UHFFFAOYSA-N	317.308	1.576	50	20	DDGD	
CC1(C)C[C@H](CNS(=O)(=O)CBr)CCO1	841528110	PJOWLIVFFAMFQR-MRVPVSSYSA-N	300.218	1.463	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1scnc1C	58995433	WCRQRGGOKPYOLU-UHFFFAOYSA-N	319.386	1.854	50	20	DDGD	
COc1ccccc1-c1nn(C)cc1C(=O)NNc1cnccn1	172716148	KXUAGZQMPBMMGN-UHFFFAOYSA-N	324.344	1.643	50	20	DDGD	
C=C(Br)CNC(=O)NNC(=O)c1ccccc1O	69244251	VBIRNBDHWRTGCR-UHFFFAOYSA-N	314.139	1.245	50	20	DDGD	
CC(C)[C@@H]1CCC[C@H](NC(=O)NNC(=O)C(=O)N2CCCC2)C1	171452470	YJSLOWNNAYZLPD-OLZOCXBDSA-N	324.425	1.154	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](C)c2nc(C(C)(C)C)no2)nn1	173534955	MFDXEDMVELFVCQ-VIFPVBQESA-N	319.369	1.853	50	20	DDGD	
O=C(NNC(=O)c1cnn(Cc2ccccc2)c1)c1ccncc1	171221332	BALNHOGFVYBBCZ-UHFFFAOYSA-N	321.340	1.401	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)[C@@H](NC(=O)c1ccco1)C(C)C	66573906	HHMFRQRUBPROAN-AWEZNQCLSA-N	323.393	1.618	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)Cc2ccccc2OC)[nH]n1	174950440	MNHGKVIIUJCFKR-UHFFFAOYSA-N	316.361	1.375	50	20	DDGD	
CCCCNC(=O)NNC(=O)CN1C(=O)CCc2ccccc21	110663717	AFGBTHOBRFBLKV-UHFFFAOYSA-N	318.377	1.096	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)Nc1ccccn1	60971460	HTFLIGKRTPWKFX-UHFFFAOYSA-N	300.318	1.703	50	20	DDGD	
CC[C@@H](C)N(C)CCNC(=O)NNc1nc(C)cc(OC)n1	175445552	ICKLVSQNQGINQC-LLVKDONJSA-N	310.402	1.150	50	20	DDGD	
O=C(NNC(=O)c1cccc2cccnc12)c1cccnc1S	64663355	UFIYKAFFNIFHAD-UHFFFAOYSA-N	324.365	1.993	50	20	DDGD	
Cc1[nH]c(-c2ccccn2)n/c(=N\NC(=O)c2ccccn2)c1C	114891786	QSXVTLXGZXRXGJ-UHFFFAOYSA-N	320.356	1.729	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1nc2c(s1)CCCCC2	171758227	NILUZMSDUNBQIX-UHFFFAOYSA-N	312.395	1.601	50	20	DDGD	
C[C@@H](CC(=O)NNc1cccnn1)C(=O)c1cccc(F)c1	174075479	WLZWYVAXSKMAMH-JTQLQIEISA-N	302.309	1.968	50	20	DDGD	
CNC(=O)[C@H]1CCCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C1	177159624	FHHZWRDZNDUUOZ-LIOBOASVSA-N	314.345	1.917	50	20	DDGD	
COC(=O)NCC(=O)NNc1ccc(Br)c(C)c1	114888494	LDWOSWBBUANLQD-UHFFFAOYSA-N	316.155	1.557	50	20	DDGD	
CCCC[C@@H](CC)CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1	117125868	ZWLZIRSBLYLIOZ-VXGBXAGGSA-N	318.439	1.175	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)NCc1ccccn1	60798132	BASDBNLPTGWCAV-UHFFFAOYSA-N	314.345	1.381	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N1CCOCC1)c1ccc(F)cc1	171293026	HUGWTGXNPKYUCM-UHFFFAOYSA-N	309.341	1.176	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2cn3ccccc3n2)c1C	173893868	BIHLBRQFDWJCFE-UHFFFAOYSA-N	322.368	1.955	50	20	DDGD	
O=C(NNC(=O)C1[C@H]2CCC[C@H]12)c1cc(Br)c[nH]1	177613754	ZZYWRBYJCFIOAM-YUMQZZPRSA-N	312.167	1.584	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NNC(=O)c1cc2ccccc2o1	177752617	LBEQAVTUFIWMKJ-UHFFFAOYSA-N	324.358	1.019	50	20	DDGD	
CCOC(=O)NNC(=O)c1cnn(-c2ccccc2Cl)c1	64479613	UFQALNHBERSVNI-UHFFFAOYSA-N	308.725	1.917	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)NC1CCCC1	65919258	OOONMSZXVQPYQR-VIFPVBQESA-N	314.386	1.173	50	20	DDGD	
CC(=O)NCC(=O)NNc1ccc(OCC(F)(F)F)cc1	124385288	UQPIAAGMJKVYPD-UHFFFAOYSA-N	305.256	1.207	50	20	DDGD	
O=C(NC[C@@H]1COC2(CCCCC2)O1)NNc1ccccn1	181134728	OIIDDRLOVBEKGM-GFCCVEGCSA-N	306.366	1.784	50	20	DDGD	
CCNC(=O)CCCC(=O)NNc1ccc(C#N)c(Cl)c1	182329004	NYZAJMVSSWMLJE-UHFFFAOYSA-N	308.769	1.961	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)COCc2ccccc2)on1	125086734	GWYNCSVIFJWYGR-UHFFFAOYSA-N	318.333	1.030	50	20	DDGD	
Cc1cc(C)cc(CCC(=O)NNC(=O)C(=O)N2CCCC2)c1	125414929	WSFBAJGHAQMCDN-UHFFFAOYSA-N	317.389	1.006	50	20	DDGD	
O=C(NNc1ccccn1)c1ccc(CN2C(=O)CCC2=O)cc1	181208351	POCYOAIGVFCKLR-UHFFFAOYSA-N	324.340	1.488	50	20	DDGD	
O=C(NNc1cccc(Cl)c1)[C@H]1COCCN1CC(F)F	188134296	LGJVSNZMIMEQPI-LLVKDONJSA-N	319.739	1.749	50	20	DDGD	
Cn1/c(=N\NC(=O)NOC[C@@H]2CCOC2)sc2ccccc21	188067538	HLXFXGGKUOSNJF-LGMFZICMSA-N	322.390	1.323	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1C(=O)NNC(=O)NCc1ccco1	122763601	YZXXGPDMXZOQDQ-UHFFFAOYSA-N	319.365	1.455	50	20	DDGD	
CCCCc1nnc(NC(=O)NNC(=O)c2cnn(C)c2)s1	182879307	NPRBAZJDDIYRSJ-UHFFFAOYSA-N	323.382	1.081	50	20	DDGD	
O=C(NNC(=O)[C@@H](c1ccccc1)N1CCCCC1=O)C1CC1	76691162	HLKLXWVVSCIPOU-OAHLLOKOSA-N	315.373	1.298	50	20	DDGD	
CCS(=O)(=O)c1c(Cl)cccc1/C=C(\C#N)C(=O)NC	187632103	BYTXAKAQSIJTEJ-JXMROGBWSA-N	312.778	1.787	50	20	DDGD	
Cc1noc(C2CC2)c1C(=O)NNC(=O)c1ccc(C#N)cc1	132039363	TWNFZJIEIGQKMZ-UHFFFAOYSA-N	310.313	1.807	50	20	DDGD	
Cn1cnc(-c2ccc(C(=O)NNC(=O)CC(C)(C)C)cc2)n1	180041462	LCOMHEYSQWJNED-UHFFFAOYSA-N	315.377	1.679	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1ccc(OC(F)F)cc1	186108361	CGNCTHXZBRODKC-UHFFFAOYSA-N	310.260	1.015	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12	44566402	MEIWGQLQCCLGMC-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
COCCCNC(=O)NNC(=O)C[C@@H](C)c1c(C)noc1C	133138891	AXWGNOXQLQZICK-SECBINFHSA-N	312.370	1.152	50	20	DDGD	
O=C(NNC(=O)c1occc1Br)c1cccnc1	81555989	DTSDHMGOJCYIFJ-UHFFFAOYSA-N	310.107	1.512	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)C(=O)Nc1ccc(F)cn1	194040252	JUNBPTXRVVKEKI-UHFFFAOYSA-N	310.235	1.581	50	20	DDGD	
CNC(=O)NNC(=O)c1cccc(Nc2ccc(C)nn2)c1	134674175	XEKWDQWHQCISBR-UHFFFAOYSA-N	300.322	1.102	50	20	DDGD	
CSc1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1[N+](=O)[O-]	195138293	WMGZXUBJTZECOB-UHFFFAOYSA-N	320.330	1.720	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2C)s1	47982711	LGCZXCWYXYKAQV-UHFFFAOYSA-N	310.400	1.988	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)C1=CCOCC1	194218883	QBHDAJGYTLGMQD-UHFFFAOYSA-N	309.753	1.517	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CC2CCCC2)c1[N+](=O)[O-]	193191470	YPFRLRSSSWYPRG-UHFFFAOYSA-N	321.333	1.945	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CCCS(C)(=O)=O)c1	268282061	GHWMGAZRTNBCQB-UHFFFAOYSA-N	304.343	1.102	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N[C@H]1C[C@@H]1C1CCCCC1	266798265	UBGREIZALPSHLU-CABCVRRESA-N	316.405	1.923	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1cccc(C(C)=O)c1	267139398	JWNCUWAFOIMYBY-NSHDSACASA-N	323.349	1.093	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@H](C)[C@@H]1CCOC1)c1ccccc1	266547517	LCYZRAQGWLDCJZ-YUELXQCFSA-N	319.405	1.936	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC[C@H](CNC(=O)C(C)C)C1	269446727	BBSVHOZEJGZXBT-MBFWDRTGSA-N	307.394	1.441	50	20	DDGD	
CC(C)(C(=O)NNc1nc(-c2ccccc2)no1)S(C)(=O)=O	264961960	ZSPMQQQAIPGZRG-UHFFFAOYSA-N	324.362	1.003	50	20	DDGD	
CCOC(=O)N1[C@H](C(=O)NNC(C)=O)CC[C@H]1c1ccc(C)o1	265489593	AWYIYQKEYMNPRR-RYUDHWBXSA-N	323.349	1.417	50	20	DDGD	
CCCOC(=O)CCNC(=O)/C(C#N)=C\c1ccc(O)cc1	279080768	RXVHWJKYIANQEH-RAXLEYEMSA-N	302.330	1.759	50	20	DDGD	
CCONC(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	277742454	PEWYERDNBZDTDB-MRVPVSSYSA-N	301.730	1.389	50	20	DDGD	
Cn1ncc2c1C[C@H](C(=O)NNc1ncccc1Cl)CC2	366892386	JFOCCFIIADCOKN-SECBINFHSA-N	305.769	1.717	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H]2CCO[C@H](C)C2)c1	271860141	DNHVROWLVBMFGC-ZIAGYGMSSA-N	320.389	1.645	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)CCC(F)(F)F)nc1C	272171446	JQDHIWPWNLCGJI-UHFFFAOYSA-N	320.271	1.747	50	20	DDGD	
CCC1(C(=O)NNc2nc(O)c3ccccc3n2)CCOCC1	272391294	YABDEVQPMOTVHT-UHFFFAOYSA-N	316.361	1.985	50	20	DDGD	
COC(=O)NNC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1	274168314	AOKFRXBJNBTENI-LBPRGKRZSA-N	321.333	1.175	50	20	DDGD	
CC(C)Oc1ccc(C#N)cc1NC(=O)NNC(=O)C1CC1	273184542	HTNHZGMRZNOYJW-UHFFFAOYSA-N	302.334	1.908	50	20	DDGD	
COC(=O)N[C@@H](CC(C)C)C(=O)NNc1ccc(OC)cn1	275683807	XBENLCUUIGYQDR-NSHDSACASA-N	310.354	1.304	50	20	DDGD	
CCCC[C@@H](NNC(=O)CCOc1ccccc1)C(=O)OC	270596475	UPJZRYQQSWVASF-CQSZACIVSA-N	308.378	1.808	50	20	DDGD	
CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)c1ccc(Cl)nc1	274691854	KDHNYRLUVKAJKM-VIFPVBQESA-N	312.801	1.663	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C[C@@H](C)SC	270174862	CBCIJHQPPWTKHN-SNVBAGLBSA-N	311.407	1.396	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@H]1CCc2[nH]ncc2C1	270088418	BTLXMMFIZROMJS-NSHDSACASA-N	316.336	1.044	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)N1[C@H]2CCC[C@H]1CC2	370256504	OEIOWDASMLMMQV-GJZGRUSLSA-N	317.389	1.961	50	20	DDGD	
Cc1cc(Cl)ncc1NC(=O)C(=O)NNC(=O)CC(C)C	274205560	SHHHDOSJDKEUMZ-UHFFFAOYSA-N	312.757	1.175	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cc(C(C)C)on2)n1	270642285	GZTKTBMAKYKPKB-UHFFFAOYSA-N	305.338	1.073	50	20	DDGD	
O=S(=O)(CBr)N[C@H]1CCOC2(CCCC2)C1	373308680	BIVRYNVBKBOSQG-VIFPVBQESA-N	312.229	1.750	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cnc3c(c2)COCC3)n1	376337842	PGQGOBXDMZJSLI-UHFFFAOYSA-N	316.321	1.102	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1CC12CCOCC2	370077086	JEOAVDGONCSIMI-ZDUSSCGKSA-N	318.373	1.202	50	20	DDGD	
CC1(C)CC[C@H]1NC(=O)NNC(=O)c1ccc2c(c1)OCCO2	287287780	JXGJWWCZAZOQDD-CYBMUJFWSA-N	319.361	1.590	50	20	DDGD	
CNC(=O)NNC(=O)c1cccc(NC(=O)OC(C)(C)C)n1	280712237	HTYGNVMZRVPWIN-UHFFFAOYSA-N	309.326	1.002	50	20	DDGD	
COC(=O)N(C)NC(=O)CC[C@@H]1Cc2ccccc2NC1=O	286526390	XXTXVAJCNTWFPI-LLVKDONJSA-N	305.334	1.307	50	20	DDGD	
CO[C@@]1(C)CCCN(C(=O)NNC(=O)c2ccc(C#N)cc2)C1	280312596	QKROJSVNYLNCQN-INIZCTEOSA-N	316.361	1.414	50	20	DDGD	
CCOC1(C(=O)NNC(=O)COc2ccccc2O)CCCC1	284141501	DMJJWMBTFYAEQQ-UHFFFAOYSA-N	322.361	1.268	50	20	DDGD	
CC[C@H]1CCCC[C@H]1C(=O)NNC(=O)Cn1nc(C)cc1C	280308134	QBXPUNNTMZCKNP-UONOGXRCSA-N	306.410	1.864	50	20	DDGD	
CC(C)[C@@H]1NCC[C@H]1C(=O)NNc1ncnc2ccsc12	289619598	OSXUJYRSJRXTDS-KOLCDFICSA-N	305.407	1.769	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2nnn(C(C)C)c2C)s1	292153111	JQYWFFDETIQQGD-UHFFFAOYSA-N	307.379	1.612	50	20	DDGD	
CC(C)c1nn(C)cc1NC(=O)C(=O)NNc1ncccc1F	807299608	YTUNJCIJTQQKOE-UHFFFAOYSA-N	320.328	1.159	50	20	DDGD	
C[C@H](CCc1cccn1C)NC(=O)NNc1ncncc1F	292780220	UCTFBORQJDREPD-SNVBAGLBSA-N	306.345	1.602	50	20	DDGD	
CS(=O)(=O)Cc1ccc(C(=O)NNc2cccc(F)n2)cc1	804773487	WEKKYFOHRPHDEJ-UHFFFAOYSA-N	323.349	1.522	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cncs2)cc1C	807246177	JNVIMBXBMPTPFA-UHFFFAOYSA-N	305.359	1.600	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNC(=O)Nc1cc(F)cc(F)c1	802001447	WUGGOTBYYSAZNL-UHFFFAOYSA-N	323.303	1.700	50	20	DDGD	
O=C(NCc1nc(C2CC2)cs1)NNc1ncncc1F	293193721	ZEZOUXIBNIAIPQ-UHFFFAOYSA-N	308.342	1.776	50	20	DDGD	
C[C@@H](CBr)CN1CCC[C@@H](S(C)(=O)=O)CC1	800459829	DUYHDNUWNKQSCN-WDEREUQCSA-N	312.273	1.917	50	20	DDGD	
C[C@H](C(=O)NNc1ccncn1)N(C(=O)OC(C)(C)C)C1CC1	295321780	AFLWXGHRVUCCNU-SNVBAGLBSA-N	321.381	1.708	50	20	DDGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNC(=O)N=c2cc[nH]cc2)C1	802035431	CTODHSCPMYYRLX-DGCLKSJQSA-N	306.366	1.252	50	20	DDGD	
CC(=O)N[C@@H](CC(=O)NNc1ncccc1F)c1cccs1	804211796	WPKBRRPGXDSJEJ-NSHDSACASA-N	322.365	1.993	50	20	DDGD	
Cc1ccc(C=NNC(=O)C(C)(C)O)c(-c2cnn(C)c2)c1	802713008	ZWYDCRWZERHQGE-UHFFFAOYSA-N	300.362	1.617	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNc1cc(Cl)nc(C)n1	806932453	ALYJJRDXXUXJEL-UHFFFAOYSA-N	314.773	1.861	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cc(F)c[nH]2)cc1	816772306	URXGGHQBAKLZHO-UHFFFAOYSA-N	305.309	1.556	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](CCO)CC1	817297427	QJATUUXVCLAKIK-ZIAGYGMSSA-N	313.442	1.053	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)COc2ccccc2O)CC[C@@H]1C(=O)O	814953978	XVSXOQKXIURIIL-PWSUYJOCSA-N	320.345	1.764	50	20	DDGD	
Cc1oc(-c2ccco2)nc1CC(=O)NNc1ncncc1F	817080080	SVOOLWGIFXMOFO-UHFFFAOYSA-N	317.280	1.858	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNc1nc(-c2ccncc2)no1	812493263	CLEYKZRFLBWQGM-NXEZZACHSA-N	305.338	1.493	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)[C@@H]1CCc2cccnc21	816915414	ZLRFCBPMHBQHCQ-GFCCVEGCSA-N	322.328	1.700	50	20	DDGD	
CCc1noc(C2CCC(=NNC(=O)Cc3cc[nH]n3)CC2)n1	814953753	NWTMYSJDAQRXTG-UHFFFAOYSA-N	316.365	1.728	50	20	DDGD	
CN1CCC(CC(=O)NNC(=O)Cc2ccccc2F)CC1	813446299	YWZNVROEJNZGON-UHFFFAOYSA-N	307.369	1.248	50	20	DDGD	
CC(C)(C)OC(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1F	819940390	ZOVOZVSUVCQHLX-UHFFFAOYSA-N	306.301	1.864	50	20	DDGD	
COc1ccccc1[C@@H]1CCN(CC(=O)NNC(=O)C(C)C)C1	827873615	YJXBHFBVIFTZCG-CYBMUJFWSA-N	319.405	1.288	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccc(C2CC2)nc1O	823369019	SIIXGJAMTGRSOM-UHFFFAOYSA-N	303.240	1.378	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc(F)c(F)c1	826448968	VNSZLPVQIDJZAK-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
CCOC(=O)[C@@H]1CCCN(C(=O)/C(C#N)=C/c2cnn(C)c2)C1	490967894	AONSSVUWKZFSDV-PFLCFFIHSA-N	316.361	1.129	50	20	DDGD	
O=C(CCc1cnc[nH]1)NNC(=S)NCCc1cccs1	820171269	KPPPRSQCGBCVPJ-UHFFFAOYSA-N	323.447	1.142	50	20	DDGD	
CCc1nc(CCNC(=O)/C(C#N)=C/c2cnn(C)c2)cs1	491005754	BTQTZYIOJMVNRT-WUXMJOGZSA-N	315.402	1.705	50	20	DDGD	
CCCOc1ccc(NC(=O)C(=O)NNC(=O)OCC)cc1	495326858	RRFGZJXNAKKJGE-UHFFFAOYSA-N	309.322	1.191	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(CCc2ccncc2)CC1	825100208	YJCYFPHFJRERPS-JQIJEIRASA-N	314.389	1.212	50	20	DDGD	
COC(=O)N(C)NC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O	495625834	MXBLFKDVEFPVHD-CQSZACIVSA-N	317.345	1.680	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(OCc2ccncc2)cc1	823917288	HCLDUJUFKVZDNT-ZDUSSCGKSA-N	315.373	1.618	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@]2(C)CCO[C@@H]2C2CC2)cn1	491081652	HIODXXKKYNJMCN-CGZFPMOMSA-N	314.389	1.648	50	20	DDGD	
C[C@H](C=NNC(=O)c1ccncc1)CNC(=O)OC(C)(C)C	496761921	ZBTMUUQBOUVPAB-NSHDSACASA-N	306.366	1.958	50	20	DDGD	
CC(C)(C)[C@H]1OCCC[C@H]1CNCc1ccc(B(O)O)cc1	585023601	NSKVIYQQPKJWOI-HOCLYGCPSA-N	305.227	1.297	50	20	DDGD	
CC[C@@H](C)CCNC(=O)NNC(=O)COc1ccccc1C#N	820873393	OPARIYVYKHBVCU-GFCCVEGCSA-N	318.377	1.704	50	20	DDGD	
Cc1cnc(OC(C)C)c(NC(=O)c2ccc(B(O)O)cc2)c1	584995192	RWEHVNOLLLHUCM-UHFFFAOYSA-N	314.150	1.109	50	20	DDGD	
C[C@H](C[C@@H](O)c1ccc(F)cc1)NCc1ccccc1B(O)O	585033609	FQZBNVPNDANOFP-SJKOYZFVSA-N	317.169	1.107	50	20	DDGD	
CC(C)(O)[C@@H](Oc1ccccc1)C(=O)NNc1ncccn1	820935364	RDZPVBFEYNFBGH-LBPRGKRZSA-N	302.334	1.138	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@]2(C)C[C@@H]2Br)o1	906932939	GTSPGHWIOAAOMB-GZMMTYOYSA-N	301.140	1.523	50	20	DDGD	
OB(O)c1ccccc1CN[C@H]1CCSc2c(F)cccc21	585017507	CEEDHRQWPMGPFQ-HNNXBMFYSA-N	317.194	1.832	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N(CC1CCC1)CC(F)(F)F	584961484	SCKRTVKXCWFWGR-UHFFFAOYSA-N	315.100	1.171	50	20	DDGD	
CCC[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccccn1	825916290	FHXGNEZATMIXES-BZPMIXESSA-N	320.393	1.678	50	20	DDGD	
CSc1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)o1	826230383	QGCSMTCGTPCTSY-UHFFFAOYSA-N	316.346	1.939	50	20	DDGD	
CCc1ccc(CCNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	826035882	MNNZHQAFQSAFFX-DOMZBBRYSA-N	319.405	1.547	50	20	DDGD	
OB(O)c1cccc(CN[C@@H](c2ccccc2)[C@H]2CCCO2)c1	585019093	BINCVLRFZYMTDX-MSOLQXFVSA-N	311.190	1.376	50	20	DDGD	
OB(O)c1cccc(CN[C@@H](c2cc(F)ccc2F)C2CC2)c1	585027642	WSDQRCGEXWBTTL-QGZVFWFLSA-N	317.144	1.886	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)c1)N[C@H]1CCN(C2CC2)C1	734285449	NHPAYAQEMXJRJY-LBPRGKRZSA-N	322.796	1.521	50	20	DDGD	
CC[C@@H](CNCc1ccc(B(O)O)o1)Oc1ccccc1C	585026186	JTPLZMBBKOFSGV-ZDUSSCGKSA-N	303.167	1.215	50	20	DDGD	
O=C(NCCc1cn2c(n1)CCCC2)NNc1ccc(F)cn1	731363125	UPEJWVCHJCALCF-UHFFFAOYSA-N	318.356	1.622	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cccc(OCC(=O)O)c1	733201716	OJTLLKBXGKDPPZ-UHFFFAOYSA-N	321.377	1.332	50	20	DDGD	
CC(C)(C)OC(=O)NNS(=O)(=O)c1cnc2ccccc2c1	496960478	UNKVBTAXECXMGW-UHFFFAOYSA-N	323.374	1.953	50	20	DDGD	
C[C@H]1c2ccsc2CCN1C(=O)c1ccc(B(O)O)cc1	584926077	YSNRYUDHIYRYDJ-JTQLQIEISA-N	301.176	1.187	50	20	DDGD	
COc1ccc(NCC(=O)NN=C(C)Cc2cnccn2)cc1	834920608	NCHYBWDLGPPYAT-UHFFFAOYSA-N	313.361	1.632	50	20	DDGD	
O=C(NNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1	731453069	HICHQPQCEQVPPJ-UHFFFAOYSA-N	303.249	1.809	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNc1cc(F)c(F)c(F)c1	839697508	ZYQUJZIVCAEMPB-MRVPVSSYSA-N	303.284	1.695	50	20	DDGD	
CC(C)[C@@H](NCc1ccc(B(O)O)o1)c1ccc(F)c(F)c1	585031585	ICZLZLJOUQEXIN-OAHLLOKOSA-N	309.121	1.725	50	20	DDGD	
CC(C)n1ccc(C(=O)NNc2ccccc2S(C)(=O)=O)n1	733365282	YFFAJAPKPSZVSC-UHFFFAOYSA-N	322.390	1.624	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC[C@H]1COc1ccccc1	830872820	SBNQKHHWNVSBKC-AWEZNQCLSA-N	319.405	1.333	50	20	DDGD	
CCn1ccnc1[C@@H](C)NC(=O)NNC(=O)c1ccccc1F	836429856	UMTOPSSXEHKRDK-SNVBAGLBSA-N	319.340	1.747	50	20	DDGD	
CCCC[C@@H](NC(=O)c1cc(B(O)O)ccc1F)C1CCC1	584958895	URAJLDVOOVMOHY-OAHLLOKOSA-N	307.174	1.594	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H](C(C)C)N(C)C)ccc1F	837038010	YCQGGCRARBUDJJ-CYBMUJFWSA-N	311.357	1.642	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc(CC)c(CC)c1	901966600	OWAABXDAJKUFPL-UHFFFAOYSA-N	322.430	1.924	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1cccc(B(O)O)c1	584910605	CSJYGMIEVCCCPT-QWHCGFSZSA-N	301.176	1.479	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)N[C@H]1CCN(C2CC2)C1	734670796	IGRVMSVDGOPHSC-QMMMGPOBSA-N	314.311	1.967	50	20	DDGD	
CC(C)[C@H](NC(=O)O)C(=O)NNc1ccc2ccccc2n1	833469661	XWPZLCLHDUVPMU-ZDUSSCGKSA-N	302.334	1.970	50	20	DDGD	
C[C@H](C(=O)N1CC=C(C#N)CC1)N1C(=O)c2ccccc2C1=O	839718500	QZVXENJSCSUNMM-LLVKDONJSA-N	309.325	1.353	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC(S(C)(=O)=O)C1	837152042	RNBKJXYKHDZIBN-QMMMGPOBSA-N	312.229	1.051	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCCOCC1CC1)c1ccccc1	731220820	UKXJSUCHGGUZOZ-UHFFFAOYSA-N	319.405	1.721	50	20	DDGD	
C[C@H]1CC=C(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)CC1	836789145	HPNLSKNLFGJUBA-WCQYABFASA-N	300.424	1.225	50	20	DDGD	
CO[C@@H]1CCOc2c(NCc3ccc(B(O)O)cc3)cccc21	585039464	VKHFQIRTHSPHIR-MRXNPFEDSA-N	313.162	1.449	50	20	DDGD	
CCc1cccc2c(CCNCc3ccc(B(O)O)o3)c[nH]c12	585022821	AISNCLIDCBXHGO-UHFFFAOYSA-N	312.178	1.335	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNc2nc3ccccn3n2)C12CCC2	838770491	XLBTXOBFNPJIPL-QWRGUYRKSA-N	316.365	1.313	50	20	DDGD	
COC(=O)[C@H](CNS(=O)(=O)CCl)c1ccc(F)cc1	831280824	OFTJLBJVOHNORF-SNVBAGLBSA-N	309.746	1.198	50	20	DDGD	
Cc1ccc(NNC(=O)C2(S(C)(=O)=O)CC2)c(Cl)c1	836935361	QJVLFEQLLBABIE-UHFFFAOYSA-N	302.783	1.669	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@H](C)c2ncnn2C)cc(C#N)n1C	834305807	HJULLNOGJFZMMC-YNHMVAKQSA-N	323.360	1.118	50	20	DDGD	
C[C@H]1CC=C(C(=O)NNC(=O)c2ccc3c(c2)OCO3)CC1	836202752	QLVASOFZMWIQHQ-JTQLQIEISA-N	302.330	1.923	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)N[C@@H]1C[C@H]2CCCCN2C1=O	836692126	OXUIDHITGPHLGT-NXEZZACHSA-N	323.784	1.515	50	20	DDGD	
CCn1c(S)nnc1[C@@H]1CCCN(S(=O)(=O)CCl)C1	830549784	QRMBQNSGPLDFMS-MRVPVSSYSA-N	324.859	1.292	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](C)CS(C)(=O)=O)c(Cl)c1	838471355	JROFIEMKFDEDDY-SECBINFHSA-N	319.814	1.708	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccc(Cl)nc2)c1O	917251817	JSYCRZJMSDYLMT-UHFFFAOYSA-N	321.720	1.524	50	20	DDGD	
CO[C@H]1COCC[C@H]1CNC(=O)NNc1c(F)cccc1F	838659947	RISLJBLLZYFQGM-CABZTGNLSA-N	315.320	1.642	50	20	DDGD	
CCON(CC(=O)NNC(=O)C(C)(C)C)Cc1ccccc1	832795842	POFLWDWPEGUMLP-UHFFFAOYSA-N	307.394	1.634	50	20	DDGD	
CC(C)C[C@H](C)OCCC(=O)NNC(=O)[C@H]1CCCCO1	833246841	SMLFKLJTKHMOLU-QWHCGFSZSA-N	300.399	1.544	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNc1ccc(C(F)(F)F)cn1	839729556	XDEHSSLEOXPVEV-VIFPVBQESA-N	318.299	1.691	50	20	DDGD	
CN1C[C@@H]2CCCN(C(=O)[C@@]3(C)C[C@@H]3Br)[C@@H]2C1	911301979	GFRCHLVYHJXGOH-NOHGZBONSA-N	301.228	1.713	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2c(C)cnn2C)cc1C	839775502	VILCJDVXPGHPRF-UHFFFAOYSA-N	316.361	1.971	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CC23CCOCC3)c1F	837060286	KVRDOACFKYDLBS-NSHDSACASA-N	322.336	1.872	50	20	DDGD	
O=C(CC1OCCO1)NNc1cc(F)ccc1Br	840532950	YRFKHZPCPVYXJH-UHFFFAOYSA-N	319.130	1.794	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C	910150482	SEGNKWPCXIYFHP-TUAOUCFPSA-N	315.414	1.024	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1ccc(C)cc1OC	748257788	KSHNVSBFIJIRPA-ZDUSSCGKSA-N	308.378	1.895	50	20	DDGD	
Cc1ccccc1NCCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843972650	HIQJLWQJYDGYGZ-QWHCGFSZSA-N	305.378	1.369	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CO[C@H]2CCCC[C@@H]2C)n1	746622649	BIFVIMJSPKNHCN-JQWIXIFHSA-N	308.382	1.832	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCCC[C@H]1C=NNC1=O	912471178	YVYQZBKFUJQRCN-OXBCTQFSSA-N	314.320	1.361	50	20	DDGD	
COCCOC[C@@H](C)NC(=O)c1c(C)nn(CCCl)c1C	741962987	FIMHIMLOILTOKP-SNVBAGLBSA-N	317.817	1.520	50	20	DDGD	
C[C@H](C(=O)NNc1ncc(F)cc1F)C(=O)OC(C)(C)C	840475089	SOHDRTJBXXENIS-SSDOTTSWSA-N	301.293	1.781	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)N[C@H]1CCSC1	743691583	OEUDYXDIFVDJMP-VIFPVBQESA-N	311.432	1.686	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2ccc(OC)c(O)c2)n1	916641714	FGTYMXBOOUKVIL-UHFFFAOYSA-N	319.321	1.026	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)c2ncccn2)sc1C	743288359	BXVGQNLGOVFOHB-UHFFFAOYSA-N	304.375	1.874	50	20	DDGD	
CC(C)COc1cccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	843646319	KEZPKJAXTCYZBQ-DOMZBBRYSA-N	320.389	1.907	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C[C@@H]1CCc2ccccc2C1	843651858	PLSGHEIZEVRSHD-WOSRLPQWSA-N	316.401	1.754	50	20	DDGD	
N#CC1=CCN(C(=O)[C@]2(c3ccccc3)CCC(=O)NC2)CC1	847632085	NWHWYFHBKHSCCL-GOSISDBHSA-N	309.369	1.517	50	20	DDGD	
CC[C@H](C(=O)NNc1ncc(Br)cn1)N(C)C	848321163	KPRCHXTVJPAVPY-MRVPVSSYSA-N	302.176	1.022	50	20	DDGD	
CCn1nncc1C=NNC(=O)[C@@H](C)CN1CCCCCC1	841613922	JCHSERDMKGOONG-ZDUSSCGKSA-N	306.414	1.260	50	20	DDGD	
CCC[C@H](NC(=O)NNC(=O)c1ncccn1)C1CCCC1	841591180	XBXYUBIUANVIEH-LBPRGKRZSA-N	305.382	1.780	50	20	DDGD	
CC(C)(F)C(=O)NNC(=O)CSc1ccccc1[N+](=O)[O-]	844128169	ZDNPCHQYUCVXAN-UHFFFAOYSA-N	315.326	1.582	50	20	DDGD	
CCCCNC(=O)NNC(=O)C1CCN(C(=O)C(C)C)CC1	920764828	KLXDNJWKZGUFCN-UHFFFAOYSA-N	312.414	1.012	50	20	DDGD	
Cc1ncc2n1C[C@H](C(=O)NN=c1cc[nH]cc1Cl)CC2	845946572	FBAXDDJQWSXLKJ-SNVBAGLBSA-N	305.769	1.368	50	20	DDGD	
CCOC(=O)NNC(=O)c1cccc([C@@H]2CCCN(C)C2)c1	856759380	JAWCEHXLAFCAFM-CQSZACIVSA-N	305.378	1.887	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)[C@H]1CCc2nnnn2CC1	928337611	IGDUFPWQYRRZFC-JTQLQIEISA-N	320.784	1.731	50	20	DDGD	
C[C@H]1CN(C(=O)NC[C@@]2(C)C[C@@H]2Br)C[C@@H](C)N1C	856897959	USZNOXMAYHYKMC-SRRSOLGSSA-N	318.259	1.894	50	20	DDGD	
C[S@@](=O)c1cccc(NC(=O)NNC(=O)c2ccc[nH]2)c1	756528791	ZIVSMCXCFRTQDW-OAQYLSRUSA-N	306.347	1.219	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H](C)C(=O)OC(C)(C)C)C1CC1	855094885	GTYOSYVWGLAORE-BDAKNGLRSA-N	315.439	1.258	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(C)n(C2CCCCC2)n1	854923092	ZDZMWUXCVAINAS-UHFFFAOYSA-N	309.439	1.778	50	20	DDGD	
COC(=O)Nc1ccc(NC(=O)NNC(=O)CC2CC2)cc1	755963469	ADHKEOBMVGKWHN-UHFFFAOYSA-N	306.322	1.818	50	20	DDGD	
COc1ccc(NNC(=O)c2cnc3n2CCCCC3)nc1	857184792	CMDUKTVWJGLPQQ-UHFFFAOYSA-N	301.350	1.770	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(C(=O)NNc2cccc(C#N)c2)C1	752626784	PVMCMLCDEUFAFQ-UHFFFAOYSA-N	316.361	1.868	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C[C@](C)(O)C2CC2)cc1OC	755391259	CSLREOSXAXOBQV-INIZCTEOSA-N	322.361	1.016	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@@H]2COC(=O)C2)c1C	855625184	AIBYEJOGQWBKFG-JTQLQIEISA-N	306.318	1.178	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(OCC#N)c(OC)c1	920833616	RCNWBDSESLYEIT-UHFFFAOYSA-N	320.349	1.267	50	20	DDGD	
CC[C@H](Cc1ccccc1)C(=O)NNc1ccc(C(N)=O)nn1	757402150	IMMMMTQAAOSGIZ-GFCCVEGCSA-N	313.361	1.288	50	20	DDGD	
C[C@@H](C(=O)NNc1cnnn1C)[C@@H]1OCCc2sccc21	857270488	DXDITRLEERVSQU-PELKAZGASA-N	307.379	1.270	50	20	DDGD	
CCOc1nc(C(=O)NNC(=O)c2c[nH]c3ccccc23)co1	753982115	VRSRYNRHIMBQCX-UHFFFAOYSA-N	314.301	1.629	50	20	DDGD	
CN(C)N(C(=O)c1cc(Cl)cs1)[C@H]1CCS(=O)(=O)C1	757871081	JMTSDPKRNREGJN-VIFPVBQESA-N	322.839	1.507	50	20	DDGD	
Cc1cc(=O)cc(C)n1CCCC(=O)NNc1ccncn1	857521453	JHUYUHGXDUWIFG-UHFFFAOYSA-N	301.350	1.179	50	20	DDGD	
COC(=O)CSCCC(=O)NNc1ccnc(Cl)c1	855468602	CJEBQLBILKRLLS-UHFFFAOYSA-N	303.771	1.474	50	20	DDGD	
CN(C[C@@H]1CC1(C)C)C(=O)NNC(=O)COCc1ccccc1	852132443	VCISSDVRGPLAIS-AWEZNQCLSA-N	319.405	1.922	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2nc(Cl)ccc2F)cc1	758888102	VYUSLTGPIJQTKW-UHFFFAOYSA-N	318.695	1.821	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](C)CS(C)(=O)=O)cc1F	853734000	ORRKLHRQTMAXRQ-SECBINFHSA-N	303.359	1.193	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cnc2ccc(F)cc2c1	759012595	NBMXMPLDKVUHDL-UHFFFAOYSA-N	313.292	1.480	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)N[C@@H]1CCCN(C)C1=O	921313885	VKGLWXPVDGCIMQ-GFCCVEGCSA-N	310.785	1.895	50	20	DDGD	
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)C1CCC1	852707138	CZVUAJNORAUVDY-UHFFFAOYSA-N	308.426	1.239	50	20	DDGD	
Cc1cc(F)ccc1C=NNC(=O)c1ccc(-n2cnnn2)cc1	750930512	JGVKKJGIPNEAPL-UHFFFAOYSA-N	324.319	1.874	50	20	DDGD	
CCC(CC)CC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855831839	JHTGVJNBTUCWJO-UHFFFAOYSA-N	313.442	1.903	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)/C=C\c1cnccc1C	854284005	SPPWOXLPJIZALO-WAYWQWQTSA-N	322.434	1.277	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NNC(=O)c1cccc(F)n1	852302122	AQRIMCJYCVPOLI-GXFFZTMASA-N	322.340	1.146	50	20	DDGD	
Cn1nncc1NNC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C	857270176	RBWPAPPEARNGBN-JTQLQIEISA-N	311.386	1.262	50	20	DDGD	
Cc1n[nH]cc1S(=O)(=O)NC[C@@]1(C)C[C@H]1Br	856756103	JPHAJEVOHFYLIF-RKDXNWHRSA-N	308.201	1.170	50	20	DDGD	
O=C(NNc1nc(Br)cn2ccnc12)c1cocn1	750250076	LPOKMCYGANCHOR-UHFFFAOYSA-N	323.110	1.237	50	20	DDGD	
CCN1C[C@H](NC(=O)NNc2cc(F)cc(Cl)c2)CC1=O	854112072	OXMPZTRJTCZAGP-LLVKDONJSA-N	314.748	1.726	50	20	DDGD	
C[C@]1(CNC(=O)NNc2ncccn2)C[C@@H]1Br	856951217	RINPQQHUVKPBLN-OIBJUYFYSA-N	300.160	1.276	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1cccc2nccn12	755206732	LZVGMGJMVJBTPB-UHFFFAOYSA-N	322.250	1.900	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(CCN1CCOCC1)CC1CC1	856072580	SDHRJFVCTCCJSV-SQFISAMPSA-N	307.394	1.001	50	20	DDGD	
COCCOCCCNC(=O)NC[C@]1(C)C[C@H]1Br	856857765	JUGNUTKPYMCWCI-PWSUYJOCSA-N	323.231	1.512	50	20	DDGD	
C[C@]1(CNC(=O)NCC2CCNCC2)C[C@@H]1Br	857104166	MRNZLDUWONJZBH-CMPLNLGQSA-N	304.232	1.459	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCSC1)c1cccc(OC(F)F)c1	762171483	SPAPMZXHCNKWOL-SECBINFHSA-N	316.329	1.802	50	20	DDGD	
CNC(=O)NNC(=O)[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@H]21	864993574	YPIMPFYJOCPGNQ-HBNTYKKESA-N	324.178	1.295	50	20	DDGD	
CC(C)(C)NC(=O)[C@@H]1CCCN1CCI	932434217	LKAIOTSPJIFAGC-VIFPVBQESA-N	324.206	1.801	50	20	DDGD	
CSCCCNC(=S)NNC(=O)c1cc(C)cs1	863204843	MFLKBUUBGNNCTO-UHFFFAOYSA-N	303.478	1.919	50	20	DDGD	
CCCOc1ccc(NC(=O)C(=O)NNC(=O)C(C)C)c(C)c1	763832817	SJIUWBHKLDLNSM-UHFFFAOYSA-N	321.377	1.526	50	20	DDGD	
Cc1nc([C@@H]2CCOC2)sc1C(=O)NNC(=O)C1CCC1	865702018	SWVHOGOXTNYCQH-SNVBAGLBSA-N	309.391	1.517	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=c1cc[nH]c(C)c1	862508299	NIVCYOKCWSQRQV-UHFFFAOYSA-N	301.346	1.733	50	20	DDGD	
CN(CCCC(=O)N1CC=C(C#N)CC1)C(=O)c1ccncc1	935160465	RSQCVDNWOGCCPN-UHFFFAOYSA-N	312.373	1.616	50	20	DDGD	
COc1cc(NCc2cccc(B(O)O)c2)cc(OC)c1Cl	864039224	RBRSCGJLVUNMTR-UHFFFAOYSA-N	321.569	1.649	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1sccc1C(C)C	869909152	KLIHURPHENLJEH-UHFFFAOYSA-N	300.380	1.296	50	20	DDGD	
C[C@H](NNC(=O)c1nn(C)cc1Br)C(F)(F)F	862321611	YVGXOPFGRFYCLA-BYPYZUCNSA-N	315.093	1.368	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@H]1CCCC12OCCO2	867525834	DIGZWJKVQYQMDQ-JTQLQIEISA-N	311.831	1.466	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2nocc2C)cc1C	864462787	OVZQQYRSHGIMNC-UHFFFAOYSA-N	303.318	1.440	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc2oc(C(C)C)nc2c1	763438668	VWTZGUKUMLNYSH-UHFFFAOYSA-N	318.333	1.447	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cc(C(=O)OC)c(C)o1	767175509	KUUHUILJTLSQOR-UHFFFAOYSA-N	309.366	1.557	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)[C@H]1CCCCO1)c1ccc(F)cc1	861854331	WBADGWGZYPYXFJ-CHWSQXEVSA-N	310.325	1.230	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)cc1	763263590	IPRHCCYHTIDRDX-QWHCGFSZSA-N	318.373	1.527	50	20	DDGD	
CCO[C@@H](C(=O)NNc1ccc(C(=O)OC)c(F)c1)C1CC1	861926043	AFKWEHWDBPUDKF-CYBMUJFWSA-N	310.325	1.871	50	20	DDGD	
O=C(NC[C@H]1CCCCN1C1CC1)NNC(=O)C1CCCC1	764804930	DPDQLXIRIWIASM-CQSZACIVSA-N	308.426	1.524	50	20	DDGD	
C[C@@H](OCc1ccccc1)C(=O)NNc1nncc(N)c1Cl	1116302452	XCXKXGRXZLGKQL-SECBINFHSA-N	321.768	1.761	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)CC2COC2)c1C	769674961	IHGCXONRFYTTEA-LBPRGKRZSA-N	306.362	1.255	50	20	DDGD	
O=C(NN=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccoc1	766011383	GOWJXIXPJQHGRE-UHFFFAOYSA-N	304.218	1.860	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C	870382320	OVVAFJCCHUAHSI-XOFVUTBISA-N	321.377	1.651	50	20	DDGD	
CSCC[C@H](O)C(=O)NNC(=S)Nc1cccc(C)c1	873775298	ASXKZLIBMGRCRE-NSHDSACASA-N	313.448	1.427	50	20	DDGD	
CC#CCCNC(=O)NNC(=O)CSc1ccccc1O	776206526	YZPRMBNLXGQDQJ-UHFFFAOYSA-N	307.375	1.228	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(C(=O)N(C)C)cc1F	879889856	BUJHHJXKLTZMFB-UHFFFAOYSA-N	312.301	1.262	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNC(=O)CC(F)(F)F	878344434	CRMDXLRXPLFFHE-LHLIQPBNSA-N	304.272	1.175	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCc1ccnc(N(C)C)n1	771340817	HNGNDHKDXZXCMK-UHFFFAOYSA-N	318.356	1.816	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H](C(C)C)C2)cc1	1119740815	AEUJFBKBLOIBJG-HIFRSBDPSA-N	320.389	1.907	50	20	DDGD	
CCCCN(CCCO)CC(=O)NNC(=O)c1cccc(C)c1	775560368	JGJMPBJPGORINV-UHFFFAOYSA-N	321.421	1.241	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNC(=O)C1CCOCC1	1119344761	UJJHIRZWKSNUHF-SECBINFHSA-N	308.382	1.094	50	20	DDGD	
C[C@@H](CBr)COC(=O)C[C@@H]1CCS(=O)(=O)C1	770332068	YUEMRDQRFZKTEB-IUCAKERBSA-N	313.213	1.385	50	20	DDGD	
Cn1cc(C=NNC(=O)C(=O)NC2CC2)c2ccc(Cl)cc21	872337644	JJPFFUAHLUCXOJ-UHFFFAOYSA-N	318.764	1.560	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H](C)S[C@@H](C)C(=O)O)cc1	872832280	YYMRVBKHQFDLLS-ZJUUUORDSA-N	324.402	1.605	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNC(=S)Nc1ccccc1OC	873768856	FGPIFKDGLBWFDA-CQSZACIVSA-N	306.391	1.953	50	20	DDGD	
O=C(CO)NN=Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1	776776151	GFCCUKSTICWJNY-UHFFFAOYSA-N	312.251	1.334	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@H]1CC(C)=NO1	873770433	MFNCXMYUVOLZGN-LLVKDONJSA-N	308.363	1.178	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2ccc3nc[nH]c3n2)c1	770470071	QZLQZMOCFGVLMF-UHFFFAOYSA-N	324.344	1.099	50	20	DDGD	
N#CSCCCNC(=O)CNC(=O)c1cc2ccccc2[nH]1	773585139	LRBUMISOGBVHNY-UHFFFAOYSA-N	316.386	1.618	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CSc1ccc(C#N)cc1	887143192	PFOIWWISPJZXMK-UHFFFAOYSA-N	301.371	1.601	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@@H](C)N1CCc2ccccc21	887151764	JMBYNIZQGQKOHQ-CQSZACIVSA-N	313.401	1.779	50	20	DDGD	
Cn1nnc2c1C[C@@H](C(=O)NNc1ccc(Cl)cc1F)CC2	885107234	WQEDNLOXRGNGAJ-QMMMGPOBSA-N	323.759	1.856	50	20	DDGD	
O=C(CCCc1ccc(O)c(F)c1)NNC(=O)C1CCOCC1	883068927	NGMOECNOCVFWHQ-UHFFFAOYSA-N	324.352	1.428	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCCO[C@@H]1CCOC1	885724969	OKIJXMZIVMERHS-UZGISAJGSA-N	302.330	1.221	50	20	DDGD	
COc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)C1CCOCC1	883071178	QPPMZHHSTIQVIT-UONOGXRCSA-N	318.373	1.373	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNc2nnc(C)c(O)n2)CCC1	788583369	SKFDQZUXKIXDPG-UHFFFAOYSA-N	313.361	1.759	50	20	DDGD	
CC(=O)OCCCSCC(=O)NNC(=O)c1cccs1	788514695	YBABEGOTYAJVGH-UHFFFAOYSA-N	316.404	1.196	50	20	DDGD	
Cn1nc(CCNS(=O)(=O)CCCCl)c2ccccc21	882080503	OKNZAWAYWBZOAR-UHFFFAOYSA-N	315.826	1.664	50	20	DDGD	
O=C(COC(=O)C1=CCCCC1)NNC(=O)c1ccccc1	782448193	GCGICULQLDVJSS-UHFFFAOYSA-N	302.330	1.491	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H]2CCCS2)c1	780840935	FDGUNLREGNGZRU-GFCCVEGCSA-N	309.391	1.995	50	20	DDGD	
CCCC(=NNC(=O)Cc1cc(O)nc(O)n1)c1ccsc1	785457525	OKOKMFRGIZMLBK-UHFFFAOYSA-N	320.374	1.812	50	20	DDGD	
C[C@H]1CN(C2CCC2)CCN(S(=O)(=O)CCCCl)C1	882218490	LXSQDNJCQHFBKR-LBPRGKRZSA-N	308.875	1.751	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1ccc2cc[nH]c2n1	782851933	XERFLJKFNCVQKD-UHFFFAOYSA-N	309.329	1.436	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1noc2c1CCCCC2	781909600	QNOIJQWVKNGZDR-UHFFFAOYSA-N	305.256	1.657	50	20	DDGD	
CO[C@H](C)CN(C)c1nnnn1C[C@]1(C)C[C@H]1Br	1120226625	LUJWELOXDWFTES-KKZNHRDASA-N	318.219	1.318	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNc1ccccc1C(=O)OC	780729845	OTSVTSXXHNJIMH-UHFFFAOYSA-N	302.334	1.526	50	20	DDGD	
CCS[C@@H]1CCCC[C@H]1N[C@H](C)C(=O)NNC(=O)CC	787305597	JTAKGXCDALHKEC-IJLUTSLNSA-N	301.456	1.586	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CCc2cn[nH]c2)c1	899937485	LVCGJKPWDCFVGO-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
CC[C@@H]1CCC[C@@H](C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1	783831306	KFQPFHSNWQHTTH-JHJVBQTASA-N	315.439	1.675	50	20	DDGD	
C#CCSCC(=O)NNC(=O)CSc1ccc(C)cc1	895505389	QVNOPJSJGWBNSW-UHFFFAOYSA-N	308.428	1.601	50	20	DDGD	
CC(C)Cc1ncc(C(=O)NNc2nccn(C)c2=O)s1	896031715	TUZMIOFOBLFPMA-UHFFFAOYSA-N	307.379	1.192	50	20	DDGD	
COc1cncc(C(=O)NNc2ccc(Cl)c(OC)c2)n1	790178877	DJTSVQJRIBWZHZ-UHFFFAOYSA-N	308.725	1.904	50	20	DDGD	
CC(C)NC(=O)NC1(C(=O)NNC(=O)C(C)C)CCCCC1	792017238	ZYMRXZFTFXSKMF-UHFFFAOYSA-N	312.414	1.200	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1cc(F)c(F)c(F)c1	792376500	VEWDGVKJHPEOPW-UHFFFAOYSA-N	324.262	1.889	50	20	DDGD	
CC(C)n1ccc(NC(=O)NNC(=O)c2ccc(C#N)cc2)n1	797680907	VVWCHJUZHJZROK-UHFFFAOYSA-N	312.333	1.802	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCSc3ccc(F)cc32)CC1	790173613	LHJJNTCDROPHEZ-UHFFFAOYSA-N	322.409	1.983	50	20	DDGD	
C[C@H](CNC(=O)[C@H](Br)C(C)(C)C)c1nncn1C	797757813	LLMZWQOGGPRGQY-BDAKNGLRSA-N	317.231	1.844	50	20	DDGD	
C[C@H]1CSCC1=NNC(=O)C1CCN(c2ncccn2)CC1	794905188	RVNPHTCNXBUZIF-NSHDSACASA-N	319.434	1.548	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNc2ncccc2[N+](=O)[O-])nn1	792384218	GYQDQNGRCAPFOR-UHFFFAOYSA-N	305.298	1.093	50	20	DDGD	
COc1cc(Cl)c(Cl)cc1NC(=O)NNC(=O)CO	792453591	JIRSNWJAUWUSAT-UHFFFAOYSA-N	308.121	1.147	50	20	DDGD	
CSSCCNC(=O)NCCCCCS(C)(=O)=O	790833661	WKQPOXKIMGNJSI-UHFFFAOYSA-N	314.498	1.512	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@@H](N2CCCC2)C[C@H]1C	796431907	YTQLNVDBLVIJJB-ILXRZTDVSA-N	324.469	1.127	50	20	DDGD	
Cc1noc([C@H]2CCCN2[C@H](C)C(=O)NNC(=O)CC(C)C)n1	796696546	SJWWLSJTGGEHBO-ZYHUDNBSSA-N	323.397	1.097	50	20	DDGD	
N#CC[C@@H](CC(=O)NNC(=O)c1ccncc1)c1ccccc1	792760491	BAVIWWRRVLIBHB-HNNXBMFYSA-N	308.341	1.930	50	20	DDGD	
N#Cc1cccc(NC(=O)NNC(=O)c2n[nH]c3c2CCCC3)c1	1319183186	FYHYTRMXHHEPNF-UHFFFAOYSA-N	324.344	1.627	50	20	DDGD	
C[C@H](CCc1ccccc1)NC(=O)NNC(=O)C1CCNCC1	1327462088	YBSIBRCDWOLSHK-CYBMUJFWSA-N	318.421	1.338	50	20	DDGD	
CCOc1ccc(CCC(=O)NNC(=S)NC(C)C)cc1	1324071783	NHAQHBOCLARGSP-UHFFFAOYSA-N	309.435	1.922	50	20	DDGD	
Cc1ccc2c(CC(=O)NNC(=S)NC(C)C)c[nH]c2c1	1325537873	FUXYLOSJGXNNFN-UHFFFAOYSA-N	304.419	1.923	50	20	DDGD	
CO[C@H](CNC(=O)NN=c1cc[nH]c(C)c1)c1ccc(F)cc1	1330308450	BEJPYSMKOBLHOR-OAHLLOKOSA-N	318.352	1.965	50	20	DDGD	
CC[C@H](C)n1nccc1C(=O)NNC(=O)Cc1ccccc1F	1338465631	RNYKJLXFJOUWOU-NSHDSACASA-N	318.352	1.997	50	20	DDGD	
CC(C)CN(C)C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1347966488	HFRLLVLKZVNFBH-JOYOIKCWSA-N	305.216	1.391	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)Cc2ccccc2F)c(C)n1	1351703714	FWYYVIBQUFTIDF-UHFFFAOYSA-N	304.325	1.354	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=C1CC[C@@H](C(=O)O)C1	1607975111	XMSVQQQHQKFWHU-LLVKDONJSA-N	314.345	1.702	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)Cn1nc(C)cc1C	1607140325	QGZDDMXEJAIKST-UHFFFAOYSA-N	318.333	1.350	50	20	DDGD	
O=Cc1ccc(OCC(=O)NNc2ccc(C(=O)O)cn2)cc1	1609049663	FHCCERMXXMTVIK-UHFFFAOYSA-N	315.285	1.114	50	20	DDGD	
CC(C)[C@@H](C(=O)O)C(=O)NNC(=O)c1cc(Cl)ccc1O	1602969561	AFTRTUTVBZOVEM-SNVBAGLBSA-N	314.725	1.163	50	20	DDGD	
CN(CC(=O)NNc1cccc(C(=O)O)c1F)CC(C)(C)C	1606081712	ZYROJXKWVIBCTA-UHFFFAOYSA-N	311.357	1.945	50	20	DDGD	
C[C@H](C(=O)O)c1ccc(NC(=O)NNc2ncncc2F)cc1	1603212293	CBKJOQGRSHBSBE-QMMMGPOBSA-N	319.296	1.952	50	20	DDGD	
O=C(NNC(=O)c1cccc2ccccc12)c1c[nH]c(C(=O)O)c1	1608479463	HODNGBDZWWMGRZ-UHFFFAOYSA-N	323.308	1.941	50	20	DDGD	
Cn1ccc(CCC(=O)NNc2ccc(F)c(C(=O)O)c2)n1	1608124445	HHBDEIGUKAJQJP-UHFFFAOYSA-N	306.297	1.333	50	20	DDGD	
O=C(NCC1(C(=O)O)CC1)NNc1cc(C(F)(F)F)ccn1	1610688189	SAAUKAFNJVKXSG-UHFFFAOYSA-N	318.255	1.591	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)NN=Cc1ccncc1	1549313821	GJRRGEOQTNAOHL-DZGCQCFKSA-N	313.361	1.433	50	20	DDGD	
COc1ccc(F)c(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)c1	1549322203	YGLFKDWAWYOQKK-WFASDCNBSA-N	321.352	1.148	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)NN=Cc1ccco1	1549312774	CATZQODKQWXKSF-GXTWGEPZSA-N	302.334	1.631	50	20	DDGD	
COCC(=NNC(=O)[C@H]1CCCO[C@@H]1c1ccnn1C)C1CC1	1549314039	AUYJCTVERBGZPH-WFASDCNBSA-N	320.393	1.416	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1occc1N	1576295645	REUHOIXTFIYBRE-QMMMGPOBSA-N	307.281	1.229	50	20	DDGD	
O=C(CCCCC1CCNCC1)NNC(=O)c1ccncc1	1580529325	ZUAWYPZFJBIZPU-UHFFFAOYSA-N	304.394	1.403	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cc(Cl)cc(C(=O)O)c1	1588435647	WNDQOMNVWQHLRG-UHFFFAOYSA-N	323.736	1.994	50	20	DDGD	
CCCN(NC(=O)[C@H]1CC[C@H]1C(=O)O)C(=O)OC(C)(C)C	1595894429	DKXVKJCBIGQPRR-VHSXEESVSA-N	300.355	1.776	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNc2cccc(C(=O)O)c2F)CCC1=O	1594203791	PZCQGGRKOYKGCF-BDAKNGLRSA-N	308.309	1.972	50	20	DDGD	
COCCN(CC(C)C)NC(=O)Nc1cncc(C(=O)O)c1	1594000361	WZXRWQNYPWJEAB-UHFFFAOYSA-N	310.354	1.421	50	20	DDGD	
CN(NC(=O)Nc1ccc(-c2nn[nH]n2)cc1C1CC1)C1CC1	1591154226	INKVXZJJYOUWTN-UHFFFAOYSA-N	313.365	1.875	50	20	DDGD	
CO[C@H]1C[C@@H](CNC(=O)NNc2ccc(C(=O)O)c(F)c2)C1	1599325991	MHANXAWQVJSSNU-WAAGHKOSSA-N	311.313	1.575	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C/c1cc(-c2nn[nH]n2)cs1	1590648967	FQWMNBKLIYPMOJ-BJMVGYQFSA-N	309.376	1.617	50	20	DDGD	
O=C(O)COc1cccc(C=NNC(=O)c2ccc(O)nc2)c1	1776094459	UKNFRCUYKBMXLO-UHFFFAOYSA-N	315.285	1.015	50	20	DDGD	
CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2	1795150891	RGFDTFSNWWWXIA-DOFRTFSJSA-N	323.220	1.180	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl)c1cnco1	1796804362	KKJXCWXCXFHCNS-PKIKSRDPSA-N	315.732	1.461	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)COc1ccc(C)cc1	12403185	DKOQMDCTMAKYCB-UHFFFAOYSA-N	314.341	1.844	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NNC(=O)C(C)(C)C)C1	160296200	XZTCQLUNFDNIFJ-NEPJUHHUSA-N	311.426	1.465	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1[nH]nc2c1CCCC2	151654015	FTIGZXRBULSBCW-UHFFFAOYSA-N	301.306	1.954	50	20	DDGD	
CCN(CC(=O)NNC(=O)COc1cc(C)cc(C)c1)C1CC1	151202199	XMPKERLVSJFVBJ-UHFFFAOYSA-N	319.405	1.314	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@H]1CCC[C@H]2OCC[C@H]12	151695834	SFQJKRKVRJOKGQ-HZSPNIEDSA-N	303.362	1.588	50	20	DDGD	
O=C(NNc1nccc(N2CCOCC2)n1)c1ccc(Cl)o1	155533892	KSFOSISEJVWVLS-UHFFFAOYSA-N	323.740	1.317	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(C#N)c[nH]2)c([N+](=O)[O-])c1	155385578	GBPZIKRMMZHJCH-UHFFFAOYSA-N	301.262	1.560	50	20	DDGD	
COc1ccc(NNC(=O)Cc2ccc(NC(C)=O)cc2)nc1	159210027	RICVWZOHCACYCF-UHFFFAOYSA-N	314.345	1.734	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)CS(=O)(=O)C(C)(C)C	159454930	CEMFDITXOZGMBO-UHFFFAOYSA-N	302.371	1.791	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCCCCl)c1nnc2ccccn12	163431236	WAGYHTZZAALUSM-SNVBAGLBSA-N	316.814	1.729	50	20	DDGD	
O=C(NN=C1C2CC3CC(C2)CC1C3)[C@@H]1CCS(=O)(=O)C1	7324311	PYKRKLXSPSGGDU-ZLXUSHJUSA-N	310.419	1.349	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1cccnc1S	10404527	QHKCSNDFIHZERY-UHFFFAOYSA-N	305.334	1.513	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)Cc1cccnc1	103423386	BMMGLVWUUSGBFU-UHFFFAOYSA-N	319.748	1.747	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1	21770208	ZWTMPMUSGPXEAB-ZDUSSCGKSA-N	308.334	1.635	50	20	DDGD	
CO[C@H](C)C(=O)NNC(=O)c1sc(-c2ccccc2)nc1C	55403674	QRYQASNHDYJBNU-SNVBAGLBSA-N	319.386	1.914	50	20	DDGD	
C[C@@H]1CC[C@@H](CCC(=O)NNC(=O)CCc2ccccc2O)O1	173158885	WNOVYVOBJIPTNG-OCCSQVGLSA-N	320.389	1.820	50	20	DDGD	
O=C(C[C@H]1OCCc2ccccc21)NNC(=O)[C@@H]1CCCO1	115333290	UBEFMVMGMLRWQQ-UONOGXRCSA-N	304.346	1.017	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@]2(N(C)C)CCC[C@H](C)C2)nn1	106334458	JILBHMKOZATJAT-BLLLJJGKSA-N	320.441	1.922	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc3c(c2)CCC(=O)N3C)ncn1	179087552	IDRMHMOQKJFHLK-UHFFFAOYSA-N	311.345	1.451	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2cc(C)on2)cc1F	103549652	DXTSGLCTOKIYBH-UHFFFAOYSA-N	324.337	1.762	50	20	DDGD	
C[C@H]1C[C@H](C)CN(C(C)(C)CNC(=O)NNc2ncccn2)C1	54727373	OJWUTDZIJNDVBI-STQMWFEESA-N	320.441	1.859	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2nc(-c3ccccc3)no2)cc1	110854266	AOZRBNYRCFAAFA-UHFFFAOYSA-N	323.312	1.592	50	20	DDGD	
Cc1cccnc1[C@H](C)NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	1342126166	VOCODFAQEOKRSB-SDDRHHMPSA-N	306.366	1.206	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](C)N2[C@@H](C)CC[C@H]2C)n1	175389431	VKCSWKMUBVLCRJ-TUAOUCFPSA-N	307.398	1.498	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CCc2ccccc2O)cc1	61464255	RYYAUZANAFAZOZ-UHFFFAOYSA-N	309.325	1.658	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)NCC2CC2)cc1[N+](=O)[O-]	65193331	XQGSCIOZFWNCNT-UHFFFAOYSA-N	322.321	1.348	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@H]2CCC[C@H]21	176393544	DOBANJSYNDWUJW-ZIAGYGMSSA-N	302.378	1.629	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@H](CC)OC)cc1	65715896	ZZGRHZVLGUPGBP-FZMZJTMJSA-N	324.377	1.425	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)CCC1CCC1	175718931	HLUUJGOXSMMIMW-UHFFFAOYSA-N	306.362	1.802	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1ccc(-c2ccccc2)nn1	186549011	HEFORQMJJDTEQF-UHFFFAOYSA-N	322.328	1.938	50	20	DDGD	
C[C@@H](CC(=O)NNc1ncc(F)cn1)NC(=O)c1ccccc1	123349042	RCCPWRRZLFKALF-JTQLQIEISA-N	317.324	1.267	50	20	DDGD	
CN1CC(=O)N(CC(=O)NNc2ccc(C(C)(C)C)cc2)C1=O	183184889	APGOUCKILWCOCS-UHFFFAOYSA-N	318.377	1.321	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)N1CCN(CCO)CC1	78587955	DYYJKRVHSIVXNP-CYBMUJFWSA-N	318.508	1.837	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)c[nH]1	180092887	GQWIZMJEJGNYPM-UHFFFAOYSA-N	321.296	1.616	50	20	DDGD	
Cc1cc(NNC(=O)CCNC(=O)c2cccs2)nc(C)n1	128890357	OOJIYDRNLBFTLW-UHFFFAOYSA-N	319.390	1.418	50	20	DDGD	
C#CCCCCNC(=O)NNc1cccc(S(C)(=O)=O)c1	181696120	WWMMGISNLXDKNM-UHFFFAOYSA-N	309.391	1.520	50	20	DDGD	
CCc1ncsc1C(=O)NNC(=O)c1ccccc1OC	120252147	RVXQZMKUJFGSCO-UHFFFAOYSA-N	305.359	1.789	50	20	DDGD	
CCSCc1cc(C(=O)NNC(=O)c2ccncc2)no1	184712440	XBEKNSNUSKTEDG-UHFFFAOYSA-N	306.347	1.398	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NNC(=O)C(C)(C)C)[nH]n1	127283635	ZABYENHXCKNNHF-UHFFFAOYSA-N	316.361	1.892	50	20	DDGD	
CCC[C@@H]1C[C@H]1NC(=O)NNC(=O)COc1ccc(F)cc1	74927643	KVLGTTBKPYOLOK-ZWNOBZJWSA-N	309.341	1.724	50	20	DDGD	
CCCCCCNC(=O)NNC(=O)[C@H]1COc2ccccc2O1	42920389	JHOANTUOESQTCL-CQSZACIVSA-N	321.377	1.737	50	20	DDGD	
CC(=O)Nc1cccc([C@@H](C)NC(=O)NNc2ncccn2)c1	45719493	XHTNEJNHYUDSPH-SNVBAGLBSA-N	314.349	1.822	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1csc(-c2ccccc2F)n1	194940484	NUTDCBQBWRXVQY-UHFFFAOYSA-N	308.338	1.865	50	20	DDGD	
CCOC[C@@H](NC(=O)NNC(=O)Cc1ccncc1)C(C)C	191831325	UZMCFPZIVUZXSQ-CYBMUJFWSA-N	308.382	1.016	50	20	DDGD	
C=C[C@@](C)(CC)C(=O)NNC(=O)Cc1nc2ccccc2n1C	134907211	QDJXUXXOIDLIEU-KRWDZBQOSA-N	314.389	1.866	50	20	DDGD	
Cc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)Cc1cccnc1	131508842	SCZASUPTIVACCM-JKSUJKDBSA-N	309.369	1.884	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C1CC1	48185188	OTYKIZSCJIGGKD-JTQLQIEISA-N	321.764	1.250	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(Br)c1)S(C)(=O)=O	132505650	BCRGICILCYXHQK-SSDOTTSWSA-N	321.196	1.325	50	20	DDGD	
CCC[C@H](CC)NC(=O)NNC(=O)COc1ccccc1C#N	195397496	ITJLKNQKJQWITM-ZDUSSCGKSA-N	318.377	1.846	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCc2cccc(O)c2)o1	84436423	AAGUNAKZVBCWOX-UHFFFAOYSA-N	303.318	1.480	50	20	DDGD	
CCN1CCCC[C@@H]1CNC(=O)NNC(=O)c1ccccc1F	264817309	GUWWCOAJOZMVAO-GFCCVEGCSA-N	322.384	1.644	50	20	DDGD	
CCC(CC)n1ccc(C(=O)NNC(=O)c2cc(C)n[nH]2)n1	269494108	DDLPXFYPTUPPDM-UHFFFAOYSA-N	304.354	1.351	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N[C@@H]1C[C@@H]1Cc1ccccc1	266783188	RPJPFRNUAZQORL-JKSUJKDBSA-N	324.384	1.586	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCc1cccc(C(=O)N(C)C)c1	269489827	SDDKQSVDPRMFRV-NTCAYCPXSA-N	315.373	1.491	50	20	DDGD	
Cn1ncc2c1CCC[C@H]2NC(=O)NNC(=O)CC(C)(C)C	264050529	STNVUXCJSIUVOQ-LLVKDONJSA-N	307.398	1.564	50	20	DDGD	
COc1ccc(CCNC(=O)NNC(=O)CC(C)C)cc1F	264013922	JUMGGYYFONHHHT-UHFFFAOYSA-N	311.357	1.753	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1c(F)ccc(Br)c1F	279697536	IZTTUGDLLPDEPI-UHFFFAOYSA-N	319.105	1.898	50	20	DDGD	
COC[C@@H](CNC(=O)NNc1ccc(OC(F)F)cc1)OC	272737281	CHHDKTMMFZUAEC-LLVKDONJSA-N	319.308	1.576	50	20	DDGD	
C[C@@H](NC(=O)[C@H](Br)C(C)(C)C)c1ncn(C)n1	275657501	VCCKNNHLLCIYMS-SFYZADRCSA-N	303.204	1.802	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1cnc(O)c([N+](=O)[O-])c1	277692498	JXZUKTXMPKXQQT-UHFFFAOYSA-N	308.294	1.037	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)CC(C)C)c1Cl	274146981	KHTCFKGIGGVVTK-UHFFFAOYSA-N	311.769	1.780	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(C(=O)N(C)C)ccc1C	274469218	YBUDQLJZLUTMLZ-UHFFFAOYSA-N	321.381	1.395	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CSCCS2)c1	272850555	SAKVMHBNDQMFBT-LLVKDONJSA-N	312.416	1.765	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1C1CC1)c1ccc2ccccc2n1	279694296	IMUQGQIMHFDJRO-MRXNPFEDSA-N	324.384	1.623	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1ncnn1-c1ccccc1	278976581	HXTBTDDFVLRARM-UHFFFAOYSA-N	316.365	1.144	50	20	DDGD	
O=C(NNC(=O)c1ccc(OCC(F)(F)F)cn1)NC1CC1	277958437	GZSQTPKUTZTTKV-UHFFFAOYSA-N	318.255	1.129	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)Cc2ccccc2F)CCO1	271196106	ATALXJCZLGPKHZ-JQWIXIFHSA-N	309.341	1.266	50	20	DDGD	
CCCN1CC[C@@H](CNC(=O)NNC(=O)c2cccc(C)n2)C1	280094127	ZHODAALDPWFUSO-ZDUSSCGKSA-N	319.409	1.066	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc(C(F)F)cc1	288447066	IZZUFXUKWUACFK-QMMMGPOBSA-N	306.334	1.980	50	20	DDGD	
CC(C)Nc1ncccc1C(=O)NNC(=O)NCC(F)(F)F	281196016	KOFZTQUCTIEMNR-UHFFFAOYSA-N	319.287	1.408	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C(C)(C)C1CC1	287366057	SKHLQWNGWWRSOJ-UHFFFAOYSA-N	306.362	1.658	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2CCn3c(cnc3C)C2)n1	290287103	GVDDRLACBFJSQP-NSHDSACASA-N	316.365	1.004	50	20	DDGD	
CC(=O)CCc1ccc(O[C@H](C)C(=O)NNC(=O)N(C)C)cc1	299395528	TXFJPKMHADTUPX-GFCCVEGCSA-N	321.377	1.278	50	20	DDGD	
CC(=O)N[C@H](CC(=O)NNc1ncccc1F)c1cccs1	804211795	WPKBRRPGXDSJEJ-LLVKDONJSA-N	322.365	1.993	50	20	DDGD	
CCC[C@@]1(CO)CCN([C@@H](C)C(=O)NNC(=O)CC(C)C)C1	808796342	IFOASNMPUOJKQT-XJKSGUPXSA-N	313.442	1.053	50	20	DDGD	
O=C(NC[C@@H]1Cc2ccccc2O1)NNc1ncccc1F	804908236	JWEQVHNNEWVYQG-NSHDSACASA-N	302.309	1.851	50	20	DDGD	
O=C(NNC(=O)C1CCC(O)CC1)Nc1ccc2c(c1)OCO2	802107118	JFNVGKKLPGJLKQ-UHFFFAOYSA-N	321.333	1.119	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc[nH]2)c2ccccc2O1	298006259	DMAVVRWCYSQZNV-ZWNOBZJWSA-N	314.345	1.871	50	20	DDGD	
CCO[C@H](C)C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	298506335	NHIARFNOTWWLND-CHWSQXEVSA-N	308.378	1.643	50	20	DDGD	
Cn1nnc2c(C(=O)NNc3ccc(Cl)nc3)ccnc21	801626996	AJAPCWIJJGTZSM-UHFFFAOYSA-N	303.713	1.169	50	20	DDGD	
O=C(C[C@@H]1OC(=O)c2ccccc21)NNc1ncccc1F	804220418	YBYITKUPTJGANZ-LBPRGKRZSA-N	301.277	1.966	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1conc1C1CC1	290155960	WIYOJCKDEKJDSL-UHFFFAOYSA-N	315.329	1.530	50	20	DDGD	
CCc1cccc(NC(=O)C(=O)NNc2ncccc2F)c1	807300825	LQNCPMWQTIVXLC-UHFFFAOYSA-N	302.309	1.865	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(F)cc(Cl)c1O	295690508	ZCNSGHWRUNECCS-JTQLQIEISA-N	316.716	1.515	50	20	DDGD	
COCC1(C(=O)NNC(=O)Nc2ccccc2)CCOCC1	291610296	HQTFDVUIFPMAPW-UHFFFAOYSA-N	307.350	1.283	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@](C)(OC)C2CC2)cc1	292635167	OHFSRMSNCHUFRQ-MRXNPFEDSA-N	321.377	1.070	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1ccc([N+](=O)[O-])cc1C)C(C)C	805377348	ZQQQROHVXCSSJP-ZDUSSCGKSA-N	308.338	1.507	50	20	DDGD	
CC[C@H](C=NNC(=O)Cc1cc(O)nc(O)n1)c1ccccc1	814860010	JIGZREXDFUDFSS-LLVKDONJSA-N	314.345	1.726	50	20	DDGD	
CCc1nc(C)c(CNC(=O)NNC(=O)c2cccc(C)n2)o1	813875805	ROWNXOGLHPZKBR-UHFFFAOYSA-N	317.349	1.393	50	20	DDGD	
Cc1nc(CC(=O)NN=C2CCCc3nc(N)ncc32)cs1	814740039	KKYUEJRGLYCGMP-UHFFFAOYSA-N	316.390	1.223	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)COc1ccccc1F	812445783	ZMIGKNNDLJHKFP-MNOVXSKESA-N	312.341	1.271	50	20	DDGD	
Cn1nc(CC(=O)NNC(=O)C2CCCC2)c2ccccc21	817426888	FMGVVSWCCBJFIL-UHFFFAOYSA-N	300.362	1.453	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Cn2ccc3ccccc32)n1	810353205	BYYHDOXZAUJCCQ-UHFFFAOYSA-N	319.324	1.369	50	20	DDGD	
NS(=O)(=O)c1cc(C=NNC(=O)CC2CC2)ccc1Cl	814988044	OXEMVINORAAPGN-UHFFFAOYSA-N	315.782	1.238	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@@H](C)[C@@H](CN)C1	818009603	WNEAOBGPHNZOGW-MFKMUULPSA-N	312.845	1.796	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)[C@@H]2C[C@H]2C2CC2)cc1	812727484	SFCVUFMMTKGWFY-UONOGXRCSA-N	323.418	1.426	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCc1ncccn1)c1ccccc1	812505601	QSDYVKUSNCEQPV-AWEZNQCLSA-N	312.373	1.750	50	20	DDGD	
COc1ccc2c(c1OC)OCC2=NNC(=O)c1cnccn1	814793954	SCKXRNRXKIEVAM-UHFFFAOYSA-N	314.301	1.020	50	20	DDGD	
C[C@H]1C[C@@H]1C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1	726862269	HPMATQPAIVZLGE-ZANVPECISA-N	309.391	1.226	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1sc(C)nc1C	726737365	PNEAKZUOFIVILJ-JTQLQIEISA-N	315.420	1.035	50	20	DDGD	
CCCCOc1ccc(C=NNC(=O)C(=O)NC(C)C)cc1	725431826	PHLNXOOXCNXIEE-UHFFFAOYSA-N	305.378	1.840	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)C1CCCC1)C(=O)OC(C)(C)C	821750358	DSQFJOCSCXTUON-OAHLLOKOSA-N	314.382	1.071	50	20	DDGD	
CC[C@H](Cc1cccc(C)c1)C(=O)NNC(=O)c1cnn(C)c1	820083616	QKJDDZWSRJCPNI-CQSZACIVSA-N	314.389	1.758	50	20	DDGD	
COC(=O)N(C)NC(=O)CN[C@@H](c1ccccc1)C(F)(F)F	495626040	NRBHASCWNRYGCV-NSHDSACASA-N	319.283	1.609	50	20	DDGD	
CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)NNC(=O)N(C)C	491098014	IDMOHNHXPFJQJP-CQSZACIVSA-N	316.402	1.372	50	20	DDGD	
Cc1cc(CC(=O)NNC(=S)N[C@@H](C)c2cccs2)n[nH]1	726450012	MQSKYPNRIVPZBP-VIFPVBQESA-N	323.447	1.579	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCCCc1ccccc1	825546869	DJKDPPYLTNCWQF-DZGCQCFKSA-N	319.405	1.765	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	822732133	SUMVTXAEGQBVSG-LNLATYFQSA-N	308.309	1.623	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1CCc2cc(F)ccc21	825761374	KLCYSYWYMKRPLT-MRCXROJRSA-N	321.352	1.568	50	20	DDGD	
COc1ncc(/C=C/C(=O)NNc2cnc3ccccc3n2)cn1	492670067	AUTDHKHEFGMRKX-VOTSOKGWSA-N	322.328	1.585	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CCS[C@H]2C)cc1	828525457	ROVSBYPYGXQVOU-AAEUAGOBSA-N	323.418	1.598	50	20	DDGD	
Cn1cccc1C=NNC(=O)C1CCN(c2ncccn2)CC1	728783831	IUSQKCQYTLIQAI-UHFFFAOYSA-N	312.377	1.182	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1ccoc1Cl	496810426	LXQHZLOSLWJTOI-UHFFFAOYSA-N	317.729	1.219	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccc(C)c(C)c1	728437987	ZEVIAISQAZSTRP-GFCCVEGCSA-N	311.407	1.081	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-]	823928971	TVIPXIVUFHLTKB-ZETCQYMHSA-N	319.720	1.274	50	20	DDGD	
COC(=O)N(C)NC(=O)C1(c2cccc(Cl)c2)CC(=O)C1	496415748	GQZIPDMBZBZRFS-UHFFFAOYSA-N	310.737	1.670	50	20	DDGD	
CN(CCN1CCCC1=O)C(=O)/C(C#N)=C/c1ccc(F)cc1	490839230	CQSPWNTVPSKANP-SDNWHVSQSA-N	315.348	1.813	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccccc1[N+](=O)[O-])C1CC1	727275579	VVRHDYUFLPCEIJ-QMMMGPOBSA-N	308.363	1.502	50	20	DDGD	
C#CCCN(CC(F)(F)F)C(=O)/C(C#N)=C/c1cnn(C)c1	491086607	UQINCJLCOATPTK-WUXMJOGZSA-N	310.279	1.741	50	20	DDGD	
C[C@H](COc1ccccc1F)NCc1ccccc1B(O)O	585019636	QFBZJYNBWHUFFF-GFCCVEGCSA-N	303.142	1.063	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H](CC)NC(=O)OC(C)(C)C	491039180	HARHLARHRJUCAU-JTQLQIEISA-N	316.402	1.420	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H]2CCCN2C(C)C)ccc1F	821880615	OPIWLGPECVEZCD-CQSZACIVSA-N	323.368	1.928	50	20	DDGD	
Cc1ccc(C(=O)N[C@H](C(=O)NN(C)[C@@H](C)CO)C(C)C)cc1	823988717	VWSKVLGIFFTHNU-ZFWWWQNUSA-N	321.421	1.093	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1	826648786	JZQSFNAMSMGIIC-IGJVIKARSA-N	321.352	1.437	50	20	DDGD	
C[C@@H](Cc1cnc2ccccc2n1)C(=O)NN(C)[C@H](C)CO	823917665	LTKXNAKXLBOSDM-NWDGAFQWSA-N	302.378	1.152	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)O)c1C	738067239	DKOAFUJRZVJTDE-ZBQKXELDSA-N	320.345	1.675	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCOc1ccc(F)cc1Cl	823971366	SQHZEMHMXKVYAI-VIFPVBQESA-N	304.749	1.592	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@H]1[C@@H]1CCCOC1	828906350	WXNTZOYRSRNAKK-OLZOCXBDSA-N	311.426	1.071	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCC1CCC(C#N)CC1	826705205	ZEOAEOKOCBXCKT-XVSSEFHLSA-N	308.382	1.072	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@](C)(O)CSc1cccc(F)c1	823921685	AITWAJCPJKWAEJ-IINYFYTJSA-N	316.398	1.013	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NNC(=O)NCC	496996607	HOUBVAPHDZJXBB-JTQLQIEISA-N	316.402	1.372	50	20	DDGD	
C[C@@H](C(=O)NNc1ncccc1F)N(C)C(=O)OC(C)(C)C	497036401	HUIKVCDERUOTMN-VIFPVBQESA-N	312.345	1.919	50	20	DDGD	
COCC1(C(=O)NNc2cccc(C(=O)OC)c2F)CCC1	837062324	WYDVRTSXDYQZHH-UHFFFAOYSA-N	310.325	1.872	50	20	DDGD	
CC(C)COC[C@@H](NCc1ccccc1B(O)O)c1ccco1	585021002	NQLWCFSXFKRRPX-MRXNPFEDSA-N	317.194	1.463	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=Cc1cnn(CC)c1	732527722	HMWSABVZKWQFCA-UHFFFAOYSA-N	324.388	1.965	50	20	DDGD	
COC(=O)N1CCC(C(=O)NNc2c(F)cccc2F)CC1	830782073	PKONDNSPUUDVKE-UHFFFAOYSA-N	313.304	1.886	50	20	DDGD	
CC[C@H](C)NC(=O)CCNC(=O)[C@@]1(C)C[C@H]1Br	906287879	OCCOKNXWCLBVQD-SBMIAAHKSA-N	305.216	1.581	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)[C@@H]1CCCCO1)c1c(C)noc1C	836376825	OKEPIYFQNYURJJ-RYUDHWBXSA-N	324.381	1.642	50	20	DDGD	
C=CC(C)(C)CNC(=O)NNC(=O)c1c(C)nc2ccccn12	836192689	YIMNKWCHXFUTFW-UHFFFAOYSA-N	315.377	1.799	50	20	DDGD	
CCOc1c(OC)cc(CNS(=O)(=O)CCl)cc1OC	830302492	PBARHPZJVCBTBK-UHFFFAOYSA-N	323.798	1.718	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H]2CCCN2C2CCCCC2)cc1	585038878	JMPOBSRGCWTHRB-SFHVURJKSA-N	316.254	1.253	50	20	DDGD	
C[C@]1(c2ccccc2)C[C@@H]1NC(=O)NNC(=O)[C@@H]1CCCCO1	836326916	ZYUTWMNRUPYLSP-GRDNDAEWSA-N	317.389	1.616	50	20	DDGD	
C[C@H](NS(=O)(=O)CCl)c1noc(Cc2ccccc2)n1	830809077	UYNGVJCDTCZVKF-VIFPVBQESA-N	315.782	1.837	50	20	DDGD	
CC(=NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cn(C)nn1	834924776	FQOZREHMZAHYBO-UHFFFAOYSA-N	301.394	1.872	50	20	DDGD	
COc1ccccc1C(=O)NN=Cc1cc2c(cc1O)OCO2	731488858	RYGBJAIKKRSRJM-UHFFFAOYSA-N	314.297	1.893	50	20	DDGD	
O=C(/C=C/c1cnccn1)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	739216498	OHGDUVCQNKPRFF-DAFODLJHSA-N	315.241	1.702	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C1CCC1)N1CCc2ccccc2C1	732291625	BVLBQTYFAARXRA-LBPRGKRZSA-N	301.390	1.381	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1CCN(c2cnccn2)CC1	915951620	FWIXWUIUEAGPSY-UHFFFAOYSA-N	318.425	1.281	50	20	DDGD	
CO[C@H](C)[C@@H](C)NC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836464110	OQCFTEONOGGVQH-RKDXNWHRSA-N	324.337	1.174	50	20	DDGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)[C@@H]1C[C@H]1[N+](=O)[O-]	839703085	FGLSVWSYVIMAJP-RKDXNWHRSA-N	305.212	1.694	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H]1CCCN(CCc2ccccc2)C1	910149581	GJWPTMPXBXDKIU-RDJZCZTQSA-N	319.449	1.285	50	20	DDGD	
CS(=O)(=O)c1ccc(NC(=O)NNc2cnccn2)cc1	743805919	XLYKYZUPJNAACG-UHFFFAOYSA-N	307.335	1.029	50	20	DDGD	
CCc1ccccc1-n1cc(C(=O)NNC(=O)C(C)C)nn1	839474500	SPWXJAWFIKNUFL-UHFFFAOYSA-N	301.350	1.247	50	20	DDGD	
COc1cc(NNC(=O)C[C@H]2CCC(=O)N2C)ccc1Cl	834716944	ZPUABKUOULDVCH-SNVBAGLBSA-N	311.769	1.803	50	20	DDGD	
Cc1ccc(OCCCC(=O)NNC(=O)N2CCOCC2)cc1	745992628	FTUPQIAPTSKBAO-UHFFFAOYSA-N	321.377	1.227	50	20	DDGD	
Cc1cccc(-n2nnc(C(=O)NNC(=O)CC(C)C)c2C)c1	917392555	ITGHGPKKALHDLE-UHFFFAOYSA-N	315.377	1.691	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CCN[C@H](C)C2)c1F	841990271	ZDKRTFBNHWVFNQ-NXEZZACHSA-N	324.356	1.379	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccc(F)cc1C(F)(F)F	841104172	NPDKQOZXDPWLGQ-UHFFFAOYSA-N	322.262	1.736	50	20	DDGD	
COC[C@H](C)CNC(=O)NNc1ncc(Br)cn1	847322596	YCNBUUNLPMSWCK-SSDOTTSWSA-N	318.175	1.148	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H]2COc3ccccc3O2)n1	747980794	YFQQZPAUISQIDO-NSHDSACASA-N	320.736	1.722	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)C[C@@H](OC)C1CCCCC1	849386671	KJEACPKRKADKJG-GFCCVEGCSA-N	321.443	1.077	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)COc1ccc(C(F)(F)F)cc1	910171095	SPJBNJZLHVDPPO-VIFPVBQESA-N	306.284	1.428	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC2(CC1)CC2(F)F	846718507	PDKOVAANTFNSHP-VHSXEESVSA-N	317.336	1.273	50	20	DDGD	
CC(C)c1ccccc1C=NNC(=O)[C@H](C)NS(C)(=O)=O	848405318	GROPZDCANVYTRC-NSHDSACASA-N	311.407	1.198	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1nc(C)sc1C	743445573	BIUWXTIURBXNKK-UHFFFAOYSA-N	321.362	1.044	50	20	DDGD	
O=C(NNS(=O)(=O)CCc1ccccc1F)C1CCC1	849307697	CNXKALJTHUEABQ-UHFFFAOYSA-N	300.355	1.119	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)CC(F)(F)F)N1CCC[C@@H](C)C1	918065209	PWCYVYIRPZKSIX-ZJUUUORDSA-N	324.347	1.390	50	20	DDGD	
CC(CCc1ccccc1[N+](=O)[O-])=NNC(=O)C(=O)NC(C)C	741462006	GRKCIWGOYAUYTK-UHFFFAOYSA-N	320.349	1.544	50	20	DDGD	
CCc1ncsc1C(=O)NNC(=O)COc1ccccc1O	749916586	NIKCDHJKGTVGKL-UHFFFAOYSA-N	321.358	1.251	50	20	DDGD	
COCC1CCC(NC(=O)NNc2nc(C)cc(OC)n2)CC1	840445535	OCCJWUVTPIFKOW-UHFFFAOYSA-N	323.397	1.625	50	20	DDGD	
O=C(NNc1cccnn1)[C@@H](C[C@@H]1CCCO1)C(F)(F)F	845937632	QYFQWNZKDFIDLZ-DTWKUNHWSA-N	304.272	1.667	50	20	DDGD	
CCCC[C@@H](CN)NC(=O)NNC(=O)c1ccc(Cl)cc1	841959286	PFNMYWWSMMXLQK-LBPRGKRZSA-N	312.801	1.802	50	20	DDGD	
C[C@@H](NC(=O)CC1CCCCC1)C(=O)NNC(=O)C1CCCC1	749849860	CLTUHAGJNKYRMI-GFCCVEGCSA-N	323.437	1.799	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNc1nc2ccccc2n1C	848381900	XGXXDFCDNUAJBV-SNVBAGLBSA-N	303.366	1.164	50	20	DDGD	
CC(=O)Nc1ccc(CNC(=O)NNC(=O)c2ccc[nH]2)cc1	916250968	UFNCSDRWGGFYJS-UHFFFAOYSA-N	315.333	1.117	50	20	DDGD	
CC(C)Oc1cc(F)ccc1NC(=O)NNC(=O)CCCN	841177273	VJNIIDAUZPCORU-UHFFFAOYSA-N	312.345	1.505	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(C(F)(F)F)o1	843655440	JTYWIZPYKVRIGJ-YUMQZZPRSA-N	320.267	1.793	50	20	DDGD	
CO[C@@H](CS(=O)(=O)NNC(=O)OC(C)(C)C)C1CCCC1	849304411	FGBBAJLBUJBOGJ-NSHDSACASA-N	322.427	1.551	50	20	DDGD	
O=C(CCCOc1cccnc1)NNC(=O)c1ccccc1O	743291637	PJHLVUMMPLZGSV-UHFFFAOYSA-N	315.329	1.407	50	20	DDGD	
NC(=O)c1c[nH]c(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])c1	749348076	LUXPOEIMEBAKJQ-UHFFFAOYSA-N	323.696	1.432	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cn(C)nc1-c1ccncc1	920275354	USLGUSYIZVCUAD-UHFFFAOYSA-N	301.350	1.289	50	20	DDGD	
C[S@@](=O)C1(CNC(=O)NNc2ccc(F)c(F)c2)CCC1	922331661	IJFVBSPSWPFCLF-OAQYLSRUSA-N	317.361	1.892	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)NCc1nnnn1C1CC1	920823645	XNPKXIOIMWBJIF-UHFFFAOYSA-N	321.772	1.796	50	20	DDGD	
CCCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NN	841199017	ADEBELOKVFRPDM-UHFFFAOYSA-N	305.256	1.423	50	20	DDGD	
Cc1ncc2n1CC[C@@H](C(=O)NNc1nc3ccccc3n1C)C2	848380748	QNXLVUYVDKZAQT-GFCCVEGCSA-N	324.388	1.784	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@H](c2ccncc2)C1	846907162	FPCHXWYCRKOZMC-ZFWWWQNUSA-N	318.421	1.453	50	20	DDGD	
C=C(CBr)CN1CCC[C@@H](N2CCOCC2)C1	846932842	CYFSZDBRUCWCQA-CYBMUJFWSA-N	303.244	1.734	50	20	DDGD	
C=C[C@@H](CC)CC(=O)NNC(=O)COc1ccc(C#N)cc1	929248914	KHMWJIDACAEPRX-LBPRGKRZSA-N	301.346	1.687	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)COc1ccc(F)c(F)c1	929186268	AYYOAHQSCBKVLT-UHFFFAOYSA-N	302.277	1.900	50	20	DDGD	
CC(=NNC(=O)Cc1ccncc1)c1cc([N+](=O)[O-])ccc1O	758119384	XDXRUGVTQVXGKB-UHFFFAOYSA-N	314.301	1.778	50	20	DDGD	
CO[C@H]1CCCCC1=NNC(=O)CNC(=O)c1cccs1	750943053	DCNSOLGONRQGHE-NSHDSACASA-N	309.391	1.539	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)OCCCNC(C)=O)c1	920512339	RDZSCJCPZQNGFB-NTEUORMPSA-N	302.330	1.672	50	20	DDGD	
CC[C@@H]1CN(C(=O)NC[C@]2(C)C[C@@H]2Br)CCO1	856900395	VSLCRJGGFLKRSX-SCVCMEIPSA-N	305.216	1.980	50	20	DDGD	
CCOc1ccc(C(=O)NN=C(C)c2cnc[nH]2)cc1OC	853275510	KBDSCYLXQYQCCU-UHFFFAOYSA-N	302.334	1.971	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)c1cccc(F)n1)N1CCCCC1	856423770	CGPWXLZUAGPZKC-AWEZNQCLSA-N	322.384	1.492	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2ccccc2OC)c[nH]1	753165541	GTCAYRIKBZUTQW-UHFFFAOYSA-N	301.302	1.574	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNC(=O)c1cc2c(s1)CCC2	758367705	ZPLFUECXHRQJPF-MRVPVSSYSA-N	310.375	1.197	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C[C@@H]1CCCO[C@H]1c1ccnn1C	853308988	CZYCFBIWNMWJFU-SMDDNHRTSA-N	316.365	1.335	50	20	DDGD	
C[C@]1(CNC(=O)NNc2ccc([N+](=O)[O-])cc2F)CCCO1	853842243	CSQLTBICZPMFCH-CYBMUJFWSA-N	312.301	1.929	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)COc1ccc(C)cc1)C1CC1	858141107	KSPDXUIRXNLVTG-HNNXBMFYSA-N	306.362	1.336	50	20	DDGD	
C[C@@]1(CNC(=O)C2(CO)CCOCC2)C[C@H]1Br	857736415	LZNWJUAERKDJEP-KOLCDFICSA-N	306.200	1.065	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N(C)CC2=CCCOC2)cc(C#N)n1C	855740092	QXSUILUMGPMEHU-APSNUPSMSA-N	324.384	1.917	50	20	DDGD	
CC(=O)NNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F	753936277	ZZRSSWRNZLBANX-UHFFFAOYSA-N	304.209	1.369	50	20	DDGD	
C[C@@H]1CN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C[C@@]1(C)CO	856247762	AYCBSNZQHZYOFN-WEZAWEBHSA-N	300.358	1.776	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1ccncc1Cl	853390996	VSAVQLPPGZZXBV-RISCZKNCSA-N	322.796	1.438	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNC(=O)COCc1ccccc1	859488988	GAEODROMBSLUNJ-CQSZACIVSA-N	308.378	1.556	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)Cc2nc(C)cs2)c[nH]1	753161169	BNJCMRCBLUFKDN-UHFFFAOYSA-N	306.347	1.259	50	20	DDGD	
C[C@@H]1C[C@@H]1c1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)o1	853388344	IGXOLKGJDDRFKM-HLSYRSCKSA-N	317.389	1.716	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)COc2ccc(F)cc2)sn1	756858225	SCEIFFIAJRMUFT-UHFFFAOYSA-N	324.337	1.822	50	20	DDGD	
O=C(CCc1nc[nH]n1)NNc1ncccc1C(F)(F)F	755809895	BZESNRZFKFCVLQ-UHFFFAOYSA-N	300.244	1.294	50	20	DDGD	
C[C@H](NNC(=O)C[C@H]1COc2ccccc2O1)C(F)(F)F	862320039	DSHCGNTXPURDQV-IUCAKERBSA-N	304.268	1.788	50	20	DDGD	
Cc1cc(=NNC(=O)c2nnn(CC3CCCC3)c2C)cc[nH]1	862512214	OKTQJESKCXUVCG-UHFFFAOYSA-N	314.393	1.659	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1ccc(F)cc1	862095048	HDDBTLYLYXOFNA-XDTLVQLUSA-N	310.325	1.086	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)C1=Cc2ccccc2CC1	768493650	HAGDVQJTZLBLJK-UHFFFAOYSA-N	309.391	1.469	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccccc1[S@](=O)C(F)(F)F	931117968	AZODZCBPTUTSFK-NRFANRHFSA-N	323.296	1.230	50	20	DDGD	
Cc1cc(OCC(=O)N(C)NC(=O)OCc2ccccc2)no1	862284902	JCLBQXMJLKHIFI-UHFFFAOYSA-N	319.317	1.662	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2ccc(Br)s2)N1	863145033	DUPPQBWMLMXSIC-ZETCQYMHSA-N	316.180	1.239	50	20	DDGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccc2nnc(O)n2c1	763102018	XHSWGOHNBFLPQW-UHFFFAOYSA-N	321.699	1.984	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)NC1CC=CC1	760212985	WQYZJNHOURCAFY-UHFFFAOYSA-N	319.361	1.513	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@](C)(C1CC1)C(F)(F)F	933568587	DBRQXQHOGOCSFX-VMAXQDLPSA-N	323.315	1.473	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1coc(SC)c1	867162232	HZWBYSULKFJRJN-UHFFFAOYSA-N	305.450	1.473	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc2c(c1)OCCO2	764463068	FBLJZJYMYYFBET-UHFFFAOYSA-N	302.290	1.013	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21	930735297	XEAUGGXJFBFYGK-SWLJZFRDSA-N	319.430	1.913	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@@H](C)CC2(C)OCCO2)n1	868858488	HOCRTBTVKHIHNE-NSHDSACASA-N	324.381	1.506	50	20	DDGD	
Cc1cccc(CO[C@@H](C)C(=O)NNC(=O)c2cc[nH]n2)c1	869239789	RMVTUCWNZMWJHC-NSHDSACASA-N	302.334	1.084	50	20	DDGD	
CCNC(=O)NNC(=O)c1nc(C)ccc1Br	930731636	HUHKEVHEPGDXLN-UHFFFAOYSA-N	301.144	1.116	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1CCCC1=NNC(=O)c1cn[nH]c1	863154646	HSGVVUDRPCEVDK-JTQLQIEISA-N	307.354	1.573	50	20	DDGD	
C[C@@H]1Cc2cc(NC(=O)NNC(=O)C3CCOCC3)ccc2O1	933138256	URPZZOGVWFZJMW-SNVBAGLBSA-N	319.361	1.589	50	20	DDGD	
CCCNC(=O)CCC(=O)N(C)NC(=O)OCc1ccccc1	862287880	YBTGIMVDVSHCQE-UHFFFAOYSA-N	321.377	1.593	50	20	DDGD	
Cn1ccc(C(=O)NNc2ncnc3ccsc23)cc1=O	766678343	AICMBBWGAILYDA-UHFFFAOYSA-N	301.331	1.147	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](C(=O)NNC(=O)Cc2ccncc2)CCO1	934041891	LJUANQCXMIWVRV-KBPBESRZSA-N	305.378	1.223	50	20	DDGD	
O=C(NNc1ccc(Cl)c(F)c1)[C@H]1CN2CCCN1CC2	764467304	PYTPRDWNKWNGDO-CYBMUJFWSA-N	312.776	1.312	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C/c1n[nH]c2cc(C(=O)O)ccc12	765499529	FUXSZQDCJWPODE-RUDMXATFSA-N	304.269	1.428	50	20	DDGD	
O=C(NNc1cccc(F)c1Cl)[C@H]1CC(=O)N(C2CC2)C1	862506483	ZISLGTDEFBRQCU-QMMMGPOBSA-N	311.744	1.933	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1C[C@H]1c1cccc(C)c1	860337752	TYFSYGOLYYWYPG-KWCYVHTRSA-N	318.373	1.588	50	20	DDGD	
CCCOc1cccnc1C(=O)NNC(=O)c1ccc(C)o1	760418030	KJXHNLDPIIOJDG-UHFFFAOYSA-N	303.318	1.847	50	20	DDGD	
COc1ccc(Br)c(CC(=O)NNC(C)=O)c1	768570641	HIDRPIJQZYSUCU-UHFFFAOYSA-N	301.140	1.168	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(C(=O)NC2CC2)ccc1C	878236077	PEPYVCOEGLDKBA-UHFFFAOYSA-N	320.393	1.502	50	20	DDGD	
CCCn1cc(C=NNC(=O)COc2ccccc2OC)nn1	872329331	ODAYWBXYWXGGLM-UHFFFAOYSA-N	317.349	1.226	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(O)cs1	772112978	GJQFYFUTLDTSPM-QMMMGPOBSA-N	314.363	1.193	50	20	DDGD	
COC(=O)N(C)NC(=O)NC1CCN(C2CCCCC2)CC1	875338027	HACSGNRXGIBUCC-UHFFFAOYSA-N	312.414	1.696	50	20	DDGD	
NC(=O)N1CCC[C@H]1C(=O)NNc1ccc(C(F)(F)F)cn1	775256664	GVAZACRSGQGQSW-QMMMGPOBSA-N	317.271	1.087	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc[nH]n1	772707869	KLROZFGEXQYDPX-UHFFFAOYSA-N	316.199	1.489	50	20	DDGD	
COCCOCC(=O)NN=C1CCCc2ccc(OC)cc21	872401630	CLNCJOSKELSFEL-UHFFFAOYSA-N	306.362	1.515	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNC(=S)Nc1ccccn1	874955925	GVUQYXUBFMKDRJ-UHFFFAOYSA-N	324.406	1.379	50	20	DDGD	
C#CCOc1ccccc1NC(=O)NNc1ncc(F)cn1	776089736	FFAVFMYTWTUUSS-UHFFFAOYSA-N	301.281	1.776	50	20	DDGD	
COc1ccc(CNS(=O)(=O)CCCCl)cc1[N+](=O)[O-]	881804374	CHQSDSNUQIVPAM-UHFFFAOYSA-N	322.770	1.652	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCCc1nc(C(C)(C)C)no1	887142017	SGGOHUYVNLUBAK-UHFFFAOYSA-N	320.393	1.641	50	20	DDGD	
C[C@@](O)(CCNC(=O)NNC(=O)C1CCC1)c1ccccc1	777747264	LHJSOYIIXMXAKP-MRXNPFEDSA-N	305.378	1.415	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1ccc(-n2cncn2)cc1	1122089663	AFUDFPUITLYXRS-UHFFFAOYSA-N	316.365	1.856	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1cccc(Br)n1	777913283	TVQDHUVQTMORKX-VQHVLOKHSA-N	311.135	1.941	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2ncc(Cl)cc2Cl)C1=O	775276851	XIHIMPLRYRVUHG-ZETCQYMHSA-N	303.149	1.310	50	20	DDGD	
CCOc1ccc(OCC(=O)NNC(=O)C2CCOCC2)cc1	883059379	UWPWGFLAXPRHRM-UHFFFAOYSA-N	322.361	1.038	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC[C@@H](Cc2nc(C)no2)C1	887637536	VKKRENIPBSSBOL-IXJPEXDMSA-N	304.350	1.603	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)N[C@H](CO)CC1CC1	778649431	IRKSCEDBGDVLDI-HNNXBMFYSA-N	319.405	1.501	50	20	DDGD	
Cc1cc(N(C)C)ccc1NC(=O)C(=O)NNc1ccccn1	784796606	LSJSBVUFWIQDIB-UHFFFAOYSA-N	313.361	1.538	50	20	DDGD	
Cc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)C2CCOCC2)cc1C	883072648	UMZNYSWEIRWJOK-JKSUJKDBSA-N	316.401	1.981	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H]1CCCN1C1CC1	787492582	BZRIRAATULTQFJ-AWEZNQCLSA-N	303.362	1.543	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)CC(F)(F)F)cc1C(F)(F)F	1123903225	GXYOYNIIQWNEJJ-UHFFFAOYSA-N	318.177	1.152	50	20	DDGD	
Cn1cc(NC(=O)NNC(=O)CC(F)(F)F)c(C(F)F)n1	1123456123	HWSMWLOGYRPUCW-UHFFFAOYSA-N	315.202	1.463	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2[C@@H](C)[C@H](OC)C2(C)C)n1	780042125	PDDZUQSPSUKASC-WQAKAFBOSA-N	308.382	1.776	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CO[C@H](C)C2)cc1C	784143805	HPTZBTRNULVYFU-OLZOCXBDSA-N	306.362	1.255	50	20	DDGD	
COc1ccc(NCC(=O)NN=C(C)c2nccnc2C)cc1	783507426	IYRJPUZDEFNIJX-UHFFFAOYSA-N	313.361	1.746	50	20	DDGD	
COC(=O)COc1ccccc1C(C)=NNC(=O)c1ccc[nH]1	783816627	RLBIBNBJUJJFAB-UHFFFAOYSA-N	315.329	1.721	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)NCCc2ccc(F)cc2)n[nH]1	789273134	IJXFNRNOWDGVOQ-UHFFFAOYSA-N	321.381	1.209	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2cnc(C)n2C)c1	899937134	CEMZBCJOCYLSIH-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@H]2CO[C@H](C)C2)cc1	784145248	OIURSJRTNSPBBY-GHMZBOCLSA-N	323.418	1.828	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCCOc1cccc(C)c1C	787398131	HXOSHEYRAOPHQK-UHFFFAOYSA-N	323.393	1.439	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1c1ccccc1)NC1CCCC1	787260092	ORJRBLMPKPBSDL-OAHLLOKOSA-N	316.405	1.928	50	20	DDGD	
C[C@H]1CCCC[C@H]1OCC(=O)NNC(=S)NC(C)(C)C	899995052	FGPOOANWNIFONI-WDEREUQCSA-N	301.456	1.876	50	20	DDGD	
COC(=O)NNC(=O)Nc1cnc(C(F)(F)F)cc1OC	792512899	JSANNNJCSJNAIW-UHFFFAOYSA-N	308.216	1.502	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2csnn2)cc1C	794646973	NRGWPZYLKFYIFT-UHFFFAOYSA-N	306.347	1.780	50	20	DDGD	
C[C@@H]1OCC[C@]1(O)CNC(=O)[C@H](Br)C(C)(C)C	790256230	ZKJZTIPXOSOPJN-AUTRQRHGSA-N	308.216	1.452	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1c[nH]c2ncccc12	798314856	DITYBVFGIZLLDW-UHFFFAOYSA-N	301.228	1.069	50	20	DDGD	
O=C(CN1CCC2(CCC2)CC1)NNC(=O)c1cccs1	796513492	NWUWFJHWRTZZCB-UHFFFAOYSA-N	307.419	1.775	50	20	DDGD	
CO[C@@H](CNS(=O)(=O)CBr)c1ccccc1	769934332	SETRCCWJOYMNJB-JTQLQIEISA-N	308.197	1.646	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc(C)nnc2C)cc1	1319892335	HIYQNXMMGVOCEP-UHFFFAOYSA-N	300.318	1.177	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2ccc(C)cc2O)o1	1319881426	YIJUMEDQKUZWKC-UHFFFAOYSA-N	318.285	1.155	50	20	DDGD	
CCCCS[C@@H](C)C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1319302216	VAKQREMKOCEDSS-JTQLQIEISA-N	324.450	1.971	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1	1323370905	XWKVRDZTKSZSQQ-DGCLKSJQSA-N	320.393	1.122	50	20	DDGD	
Cc1ncncc1C(=O)NNC(=O)CSc1ccccc1O	1323190175	CRBCONHSIUYGTH-UHFFFAOYSA-N	318.358	1.044	50	20	DDGD	
CCc1cc(NC(=O)NNC(=O)C2CCNCC2)ccc1F	1327440824	XDIPEVWTPUQNFE-UHFFFAOYSA-N	308.357	1.540	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)NNC(=O)c2ccccc2Cl)C1	1323451090	JUHPTXAMTAXYIO-HNNXBMFYSA-N	323.780	1.360	50	20	DDGD	
COc1cc(F)cc(NC(=O)C(=O)NNc2ccccc2)c1	1320046263	GXACJJDULHGNLD-UHFFFAOYSA-N	303.293	1.916	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ncc(Cl)cc1Cl	1337239371	HEDCBUKDIBZTMN-VIFPVBQESA-N	318.160	1.719	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C[C@@H]1CC(=O)Nc2ccccc21	1334110022	PWJVEUKHBQYUNJ-JTQLQIEISA-N	303.362	1.696	50	20	DDGD	
Cc1ncc(NC(=O)NNC(=O)C2CC2)cc1Br	1263652454	RBFDWUAACBQPCQ-UHFFFAOYSA-N	313.155	1.715	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc2nonc2c1)C1CC1	1261746479	KUKHWVVHDACWDR-ZETCQYMHSA-N	305.363	1.130	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1conc1C1CC1	1347362870	UXADWTXTVBSNGY-UHFFFAOYSA-N	321.358	1.712	50	20	DDGD	
O=C(/C=C/c1ccco1)NNC(=O)c1cccc([N+](=O)[O-])c1	511275	LQHVIAZJDIWRAH-VOTSOKGWSA-N	301.258	1.662	50	20	DDGD	
O=C(Cc1ccnc(F)c1)NNc1ccc(C(=O)O)cc1F	1601371119	URKYMOKVAHQBPQ-UHFFFAOYSA-N	307.256	1.744	50	20	DDGD	
Cc1cc(C2(C(=O)NNc3ccc(C(=O)O)c(F)c3)CC2)on1	1600182814	ONAUITWOJOEWST-UHFFFAOYSA-N	319.292	1.995	50	20	DDGD	
C[C@H](CBr)CN[C@](C)(Cn1cccn1)C(=O)O	1604059390	FATOLSHBNJMAPK-MWLCHTKSSA-N	304.188	1.347	50	20	DDGD	
C[C@H]1CCn2ncc(C(=O)NNc3ncccc3C(=O)O)c2C1	1603438901	GRJRQFDMPUDMME-VIFPVBQESA-N	315.333	1.316	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNC(=O)c2cccn2C)c1	1600109027	ZOADIEQYLOLEAM-UHFFFAOYSA-N	301.302	1.107	50	20	DDGD	
O=C(O)C(=O)NN=Cc1c(-c2ccccc2)nc2sccn12	1608530935	NDZBRYNVVHZVDD-UHFFFAOYSA-N	314.326	1.598	50	20	DDGD	
C[C@H](Oc1ccccc1C=NNC(=O)[C@H]1CCCS1)C(=O)O	1604442758	GDGUOMIIVHTIRX-GXFFZTMASA-N	322.386	1.884	50	20	DDGD	
Cc1cccc(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)c1O	1605913594	GTGTYCUULRYYME-UHFFFAOYSA-N	322.328	1.645	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2CCN2C2CCCC2)nc1	1602384386	GBXKHTLPLKRRDL-GFCCVEGCSA-N	304.350	1.240	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)Cn2cccc(C(=O)O)c2=O)c1	1607763855	FRGOHBYCSBBKSL-UHFFFAOYSA-N	315.329	1.307	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CC[C@H]2C(=O)O)c1	1602707433	VGVTUFCMPKDGDB-VXGBXAGGSA-N	317.370	1.096	50	20	DDGD	
Cc1c(NNC(=O)c2ccc(=O)n(C)c2)cccc1C(=O)O	1607552689	LTUAGSLKRLIGOG-UHFFFAOYSA-N	301.302	1.149	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2ccnc(F)c2F)cc1	1602128734	TXFMVTGRESKQPF-UHFFFAOYSA-N	307.256	1.744	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1[nH]c2ccccc2c1CC(=O)O	1603902712	IZZWPMGAPAVCDI-UHFFFAOYSA-N	318.333	1.147	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2CCC[C@@H](C(=O)O)C2)n1	1610518795	YQYUWVBCPMVLHS-GHMZBOCLSA-N	305.334	1.042	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)c1csc2cncn12	1610852615	YZENLDLESFNOHO-UHFFFAOYSA-N	302.315	1.851	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C[C@@H]2CCC[C@H]2N)c1	1579581459	SWGCRVBYDUIIFU-DZGCQCFKSA-N	319.405	1.347	50	20	DDGD	
O=C(C1=CCCC1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843363348	XVJVYTOQBYEDJT-NSHDSACASA-N	300.761	1.835	50	20	DDGD	
CN(C)S(=O)(=O)CCNC(=O)c1cccc(CCl)c1	230991471	BMRRIJOWFWKADH-UHFFFAOYSA-N	304.799	1.047	50	20	DDGD	
Cc1noc(C)c1CCC(=O)NNc1ncccc1C(=O)O	1594497063	WPOBSNIJRSHGFW-UHFFFAOYSA-N	304.306	1.461	50	20	DDGD	
N#C/C(=C/c1ccc(-c2nn[nH]n2)cc1)C(=O)NC1CCCC1	1592662375	CUXJPQNHBFHIFW-LCYFTJDESA-N	308.345	1.832	50	20	DDGD	
Cc1ncccc1CNC(=O)NNc1cccc(-c2nn[nH]n2)c1	1592416945	HAPCESUCWFKXTI-UHFFFAOYSA-N	324.348	1.396	50	20	DDGD	
C[C@H](CC(=O)O)CC(=O)NNc1nc(-c2ccccc2)no1	1592391334	HYOAFRPVRWOCRF-VIFPVBQESA-N	304.306	1.681	50	20	DDGD	
COc1ccccc1NNC(=O)C1(CC(=O)O)CCOCC1	1594146006	JQMWLACECRBEEQ-UHFFFAOYSA-N	308.334	1.410	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2csc(C(=O)O)n2)nn1	1590494016	UGGVOSXACQLYSD-UHFFFAOYSA-N	321.362	1.686	50	20	DDGD	
O=C(NNc1ccc(F)cc1)Nc1cccc(-c2nn[nH]n2)n1	1593164171	WATIHIJPPFHIDL-UHFFFAOYSA-N	314.284	1.549	50	20	DDGD	
C[C@H](CBr)CN1CC[C@@]2(CC(C(=O)O)=NO2)C1	1592212091	PGJKKLRJLPUFMX-LDYMZIIASA-N	305.172	1.323	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccccc1C(=O)O)C1CC1	1593188843	BLJSLYKAIHHQLF-MRVPVSSYSA-N	307.375	1.292	50	20	DDGD	
CC[C@@H](OC1CCCC1)C(=O)NNc1ccc(C(=O)O)cn1	1595355718	KBOPUFZEAFWORH-GFCCVEGCSA-N	307.350	1.961	50	20	DDGD	
CC(=NNC(=O)c1cn[nH]c1)c1cccc(O[C@@H](C)C(=O)O)c1	1776093839	NSIGIFZIJFLISA-JTQLQIEISA-N	316.317	1.416	50	20	DDGD	
CC(=O)c1cccc(OCC(=O)NNC(=O)c2ccccc2)c1	14824975	XHZQQUIPMGFZQH-UHFFFAOYSA-N	312.325	1.729	50	20	DDGD	
O=C(CC1CCSCC1)NNC(=S)Nc1ccccn1	161609256	URDQKERLWMJPCK-UHFFFAOYSA-N	310.448	1.933	50	20	DDGD	
O=C(C[C@H]1CCCN1)NNc1nc(-c2ccc(Cl)cc2)no1	158061383	HHKVGTXRLPTWGX-LLVKDONJSA-N	321.768	1.975	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2cc(C)ccc2C)nc1	163573370	KUMSWWKRKOBKLL-UHFFFAOYSA-N	313.357	1.847	50	20	DDGD	
CO[C@@H](C)CC(=O)NNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1	151255265	QWJDNVCKBFJSTB-VIFPVBQESA-N	320.324	1.402	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=O)c2c[nH]nc2C)c1C1CC1	153129698	ZRZNSNDLTYCBLH-UHFFFAOYSA-N	316.365	1.277	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCCCCl)[C@H](O)Cc1ccccc1	154787981	TUHLBJLKZCAUHI-TZMCWYRMSA-N	319.854	1.917	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2ccc(F)cc2)c(F)c1	7312814	CTVXFWQGWAFNFM-UHFFFAOYSA-N	320.295	1.977	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)COc2ccccc2F)c1	7593703	CRQAIXDIAZYGMY-UHFFFAOYSA-N	313.288	1.537	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CC(C)(C)C)cnn1-c1ccccn1	103197664	TWNTYZFGKKHWTB-UHFFFAOYSA-N	315.377	1.773	50	20	DDGD	
COc1ccccc1CNC(=O)NNC(=O)c1cccc(C#N)c1	103502161	OTGYIVQJBXVNCG-UHFFFAOYSA-N	324.340	1.711	50	20	DDGD	
O=C(CCSc1ccccc1)NNC(=O)Cc1cccnc1	103424673	HHJAMEYYRGMQMB-UHFFFAOYSA-N	315.398	1.954	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNc1ncnc2nc[nH]c12	173961231	VVZGQQQJMHUSCP-UHFFFAOYSA-N	307.317	1.451	50	20	DDGD	
CCO[C@H](CC)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	112825217	AZDCZBJVPCUCFN-CQSZACIVSA-N	316.361	1.448	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCN(C)C2CCCC2)n1	104805931	ACXBTCRNVAFRNO-UHFFFAOYSA-N	306.414	1.594	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C	109698509	NULJNZXYVADMDR-UPJWGTAASA-N	319.405	1.718	50	20	DDGD	
CC(C)CCCNC(=O)NNC(=O)COCc1ccccc1	172347651	XHTGSFTZRJFGFA-UHFFFAOYSA-N	307.394	1.970	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2cccc(F)c2)c(O)c1	55647738	OJCHSIZBNIHPLT-UHFFFAOYSA-N	324.333	1.463	50	20	DDGD	
COc1ccnc(NNC(=O)c2c[nH]c3ccccc3c2=O)n1	25124348	KCHUZCKCBCKBTM-UHFFFAOYSA-N	311.301	1.084	50	20	DDGD	
NC(=O)COc1cccc(C(=O)NNc2ccc(F)cc2F)c1	113432781	ACPOIXURCHCEKR-UHFFFAOYSA-N	321.283	1.586	50	20	DDGD	
CCCCN(C)CCNC(=O)NNC(=O)c1ccccc1O	112465121	HWSHYYHXICSZBB-UHFFFAOYSA-N	308.382	1.068	50	20	DDGD	
Cc1ccnc(NNC(=O)C2CCN(C(=O)C(C)C)CC2)c1	176750713	POGFWAAUBXPRAZ-UHFFFAOYSA-N	304.394	1.728	50	20	DDGD	
CN1CCCc2cc(CNC(=O)NNc3cccnn3)ccc21	172456677	XPDPATLFZQMXHX-UHFFFAOYSA-N	312.377	1.685	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1Br)c1c[nH]nn1	174279039	NAROLGGLRVFPCG-UHFFFAOYSA-N	318.081	1.602	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC2(C(N)=O)CC2)c1C	177581169	FSZIVMMFBDAYGR-NTEUORMPSA-N	314.389	1.556	50	20	DDGD	
C[C@H]1CCC[C@H](OCC(=O)NNC(=O)c2ccc(C#N)cc2)C1	112632408	QSAIZBWHSYXMOC-WFASDCNBSA-N	315.373	1.915	50	20	DDGD	
O=C(CCc1ccncc1)NNC(=O)Cc1cn2ccccc2n1	174686701	LHOIRAHHFKBRAP-UHFFFAOYSA-N	323.356	1.052	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNC(=O)CCCc1ccccc1	68051839	XQYJUXKKUIBFCW-CQSZACIVSA-N	322.405	1.598	50	20	DDGD	
CCc1ccc(C(=O)NNS(=O)(=O)c2c(C)noc2C)cc1	68038117	VWHBFOGHWIOZFD-UHFFFAOYSA-N	323.374	1.477	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)nn1	172379837	DLBQAPCCFVNZMQ-UHFFFAOYSA-N	306.709	1.213	50	20	DDGD	
CCCC(=O)N1CCCC[C@H]1C(=O)NNc1cc(C)ncn1	172274347	IOQNHZRHQTXKQZ-LBPRGKRZSA-N	305.382	1.409	50	20	DDGD	
C[C@H](C(=O)NNC(=O)N1CCOCC1)c1ccc(Cl)s1	175931953	UVKGQCJQPHSJQR-QMMMGPOBSA-N	317.798	1.578	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)n1	127966822	VLXKDIABAKWOCB-NWDGAFQWSA-N	304.398	1.345	50	20	DDGD	
CC1(C)CCC(O)(CNS(=O)(=O)CBr)CC1	127502918	MDZAVRHNXPEDJZ-UHFFFAOYSA-N	314.245	1.590	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)c1ccc[nH]1)c1ccc(F)cc1	173672520	FYUACMMDFHGIIF-CYBMUJFWSA-N	320.324	1.486	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)[C@H]2CCSC2)cc1	121177752	HGZNKMYOOFABFV-ZDUSSCGKSA-N	307.419	1.193	50	20	DDGD	
CCc1c(C(=O)NN(C)C(N)=O)cnn1Cc1ccccc1	182655863	UJDJUZBXOJHNIF-UHFFFAOYSA-N	301.350	1.149	50	20	DDGD	
O=C(CCc1ccc(F)cc1F)NNC(=O)Cc1cccnc1	125461593	CKYFQTJPRBZLLT-UHFFFAOYSA-N	319.311	1.683	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cc(F)cc2nc(S)[nH]c12	122900450	DKQQCUYFOZGNOB-UHFFFAOYSA-N	322.300	1.677	50	20	DDGD	
Cc1ncsc1/C=C/C(=O)NNC(=S)Nc1ccccn1	187478338	KTAOJSQYLXVUDU-AATRIKPKSA-N	319.415	1.878	50	20	DDGD	
COc1ccnc(NNC(=O)NCCc2ccccc2C)n1	31049564	IPVBOIVQFCCZGA-UHFFFAOYSA-N	301.350	1.662	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1F	124730403	GWBPJIKFUJDIGV-SSDOTTSWSA-N	315.732	1.611	50	20	DDGD	
O=C(NNc1ccncc1)[C@@H]1CC(=O)N(Cc2ccco2)C1	180522163	MEFPXLDUXZLEQI-LLVKDONJSA-N	300.318	1.166	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1ccccc1Cl	79217072	HZAOKJGPKVUMQV-CABZTGNLSA-N	311.769	1.910	50	20	DDGD	
Cc1cc(C(=O)NN(C)C(N)=O)nc(-c2ccc(Cl)cc2)n1	182655578	YWNKPWCWPPGYNS-UHFFFAOYSA-N	319.752	1.761	50	20	DDGD	
O=C(C[C@H]1CCCCO1)NNc1ccc(C(F)(F)F)nn1	124246865	KUZDDSLAIIFFTF-MRVPVSSYSA-N	304.272	1.898	50	20	DDGD	
COc1cccc(OC)c1/C=C(\C#N)C(=O)NC[C@H]1CCCO1	182248855	OECZXFACWWORIN-CNELAYHGSA-N	316.357	1.906	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc(C(=O)NC2CC2)c1	183399620	KLRUNMHTTIYZOG-JTQLQIEISA-N	318.377	1.778	50	20	DDGD	
O=C(NCCc1ccccn1)NNC(=O)c1cccc(Cl)c1	42993229	VWAKMKNQRAKWRD-UHFFFAOYSA-N	318.764	1.922	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCC(=O)N(CC)CC)cc1	86990285	XCSKKIJEVWSNNA-UHFFFAOYSA-N	319.405	1.659	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc(F)cc(Cl)c1O	133722111	PIUKYGNCHBDYPU-UHFFFAOYSA-N	312.688	1.291	50	20	DDGD	
COCCOc1ccc(CC(=O)NNc2cc(C)ncn2)cc1	192351667	RJXJSLPOHKPBFS-UHFFFAOYSA-N	316.361	1.496	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NNC=C(C#N)C#N)[nH]n1	130263401	OXYVBUNKPZZNHZ-UHFFFAOYSA-N	308.301	1.251	50	20	DDGD	
COC(=O)CN(C[C@@H](C)CBr)C1CCOCC1	133842086	SJSSFKNPYQZIAG-JTQLQIEISA-N	308.216	1.671	50	20	DDGD	
O=C(NNc1ccc(F)cc1)[C@H]1CC(=O)N(Cc2ccco2)C1	45970512	CRVZNTXCFHWVGO-NSHDSACASA-N	317.320	1.911	50	20	DDGD	
CN1N=C(C(=O)NNc2ccc(C(F)(F)F)cn2)CCC1=O	132240104	OQNXANOBVGVKGU-UHFFFAOYSA-N	315.255	1.152	50	20	DDGD	
CNC(=O)[C@H](C)CN(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	194722309	PYINKBPRDNNRJH-JYVXZMADSA-N	301.346	1.140	50	20	DDGD	
O=C(C[C@@H](O)c1ccc(Cl)cc1)NNC(=O)[C@@H]1CCCO1	91095433	RPEMHMGRFVCILN-NEPJUHHUSA-N	312.753	1.090	50	20	DDGD	
CCN1C(=O)C(=NNC(=O)c2ccncc2)c2cc(C)ccc21	254507552	XUNSKPYSWUYWHY-UHFFFAOYSA-N	308.341	1.891	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C=C2CCC2)cc(OC)c1OC	267924671	LLLSJAHIAKBPKZ-UHFFFAOYSA-N	320.345	1.584	50	20	DDGD	
CC1(C)C[C@H](NC(=O)NNC(=O)c2ccccc2O)CCO1	269963698	MLLMWWOWFXDWKZ-SNVBAGLBSA-N	307.350	1.294	50	20	DDGD	
COC(=O)N[C@@H](CC(C)C)C(=O)NNc1cccc([N+](=O)[O-])c1	269624682	RIFCBKBQLIDEKQ-LBPRGKRZSA-N	324.337	1.809	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)CNc2ccc(C)cc2)O1	268225848	JZLOJHNURHTRAQ-UONOGXRCSA-N	305.378	1.512	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)C[C@@H]2CSCCS2)cc1	269732809	HARKNJMTTQMYLU-GFCCVEGCSA-N	321.427	1.558	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)CCC[C@@]2(C)NC(=O)NC2=O)c1	269598073	WNUZSZSGMPSJRT-MRXNPFEDSA-N	318.377	1.515	50	20	DDGD	
CCN(CCNC(=O)NNc1ncccn1)C(=O)OC(C)(C)C	264312234	QRJWLZBJGRMYBC-UHFFFAOYSA-N	324.385	1.360	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC(C)(C)CNC(=O)OC(C)(C)C	269465973	IZXVSHKDIJNMDL-PKNBQFBNSA-N	311.382	1.850	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc2cnn(C(C)C)c2nc1C	271260017	IGRBDEYEJUFIPB-UHFFFAOYSA-N	318.381	1.627	50	20	DDGD	
CCn1nc(NC(=O)NNc2nccnc2OC)cc1C1CC1	274038310	ALOJWSKIHWQZNR-UHFFFAOYSA-N	317.353	1.728	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)C[C@H]3C=CCCC3)nc21	275385707	XFCVMAGHFDGTOX-VIFPVBQESA-N	302.338	1.258	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2C[C@H](C)O[C@@H](C3CC3)C2)n1	279581753	BOVYOEKXLBGDJH-SMDDNHRTSA-N	318.377	1.244	50	20	DDGD	
N#CC1=CCN(C(=O)c2ccccc2CN2CCOCC2)CC1	273803721	ILUQYAVOSZTHBH-UHFFFAOYSA-N	311.385	1.815	50	20	DDGD	
COC(=O)c1cccc([C@H](C(=O)OC)N2CC=C(C#N)CC2)c1	270902554	ARFPGXPWFOEPHP-OAHLLOKOSA-N	314.341	1.843	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc3c(cn2)OCCC3)n1	373753785	TXJHGEFKWFQFJL-UHFFFAOYSA-N	312.329	1.185	50	20	DDGD	
COCCn1cc(CNC(=O)NN(C)c2ccccc2)cn1	282955036	VQXLCUPSVSENEV-UHFFFAOYSA-N	303.366	1.380	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCC12CCC(CC1)C2	378265271	FTHIZZRZQOFEFW-UHFFFAOYSA-N	302.378	1.535	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H]1CCN(c2ccccc2F)C1	289498496	LUQRPVMQEIBTJI-LLVKDONJSA-N	307.369	1.846	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1cccc(F)c1Cl	288324200	ZDLUJXPZEPWWDW-UHFFFAOYSA-N	315.732	1.611	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)CCCc1ccccc1	285449234	YIMWOFHBEWHVRP-KBPBESRZSA-N	318.373	1.356	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)C(=O)Nc1ccn(C(C)C)n1	281070817	QUJDHSLARLIUHV-UHFFFAOYSA-N	319.340	1.993	50	20	DDGD	
CSSCCNC(=O)Nc1ccc(S(C)(=O)=O)nc1	285280120	QGAACSXTPOGFJR-UHFFFAOYSA-N	321.449	1.618	50	20	DDGD	
CN(CC1(O)CCOCC1)C(=O)/C(C#N)=C\c1ccc(O)cc1	280285434	PRGWHUPGMLARQD-UVTDQMKNSA-N	316.357	1.299	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)C[C@@H]2CCCO2)cc1	802123588	ONOUUYLNRSRTCG-ZDUSSCGKSA-N	306.366	1.474	50	20	DDGD	
O=C(NNc1cccc(F)n1)C(=O)Nc1cccc([N+](=O)[O-])c1	807392740	XIFFEODELWSIOM-UHFFFAOYSA-N	319.252	1.211	50	20	DDGD	
Cc1nc(-c2ncccn2)sc1C(=O)NNC(=O)CC(C)C	298854125	HDBRPCOWWIMPDX-UHFFFAOYSA-N	319.390	1.716	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2cccnc2Cl)sn1	807013005	BRVDNKRXSFZCSQ-UHFFFAOYSA-N	311.754	1.582	50	20	DDGD	
Cc1ccc2c(c1)CC[C@H]2NC(=O)NNC(=O)[C@H]1CCCCO1	296369562	OIVFCTXITRKNGD-HUUCEWRRSA-N	317.389	1.882	50	20	DDGD	
CC[C@@H]1[C@H](C(=O)NNc2nnc[nH]2)CCN1C(=O)OC(C)(C)C	298451847	PXSMUODLAZAPDE-NXEZZACHSA-N	324.385	1.283	50	20	DDGD	
CNC(=O)NCCC(=O)NNc1nc2ccccc2cc1C	293360615	CPNUBVQVSDXPSQ-UHFFFAOYSA-N	301.350	1.305	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)COc2cccnc2)cc1	802059814	URDXJGLEOACZNR-UHFFFAOYSA-N	316.317	1.322	50	20	DDGD	
CC(=O)C1(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)CC1	292663843	NQIYQEPRBUXXBR-VIFPVBQESA-N	308.309	1.110	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1[N+](=O)[O-])[C@]1(O)CCSC1	297080993	XMYYLMJPEFGQHN-NSHDSACASA-N	317.754	1.559	50	20	DDGD	
CC(C)(C(=O)OCC(=O)NNC(=O)c1ccccc1)C1CC1	805704059	ZDLPJOOTEKRVPX-UHFFFAOYSA-N	304.346	1.427	50	20	DDGD	
COC[C@@H](NC(=O)NNc1cccc(Cl)n1)[C@H]1CCCO1	293356232	MDAPODFKVKJETN-NXEZZACHSA-N	314.773	1.555	50	20	DDGD	
COc1ccc(OCCC(=O)NNc2nccc(OC)n2)cc1	298440420	QJZDUBBJCBORRY-UHFFFAOYSA-N	318.333	1.406	50	20	DDGD	
COc1ccc(NC(=O)NNc2ncccc2F)c(OC)n1	806235171	CXQGODRVXUEULG-UHFFFAOYSA-N	307.285	1.782	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H](C)Cn2cccn2)cc1	297205232	WLXDITHXKCBDLA-GFCCVEGCSA-N	303.366	1.997	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)NCc2ccco2)n(C)c1C	800811359	RIHYYRYODPMISS-UHFFFAOYSA-N	318.333	1.546	50	20	DDGD	
CCn1cccc(CNC(=O)NNc2ncccc2F)c1=O	805387438	GHAMDATZISALKC-UHFFFAOYSA-N	305.313	1.229	50	20	DDGD	
COc1ccc(F)cc1CC(=O)NNC(=O)[C@H]1CCCCO1	295295814	DSPYLWDNPKVXDE-CYBMUJFWSA-N	310.325	1.093	50	20	DDGD	
CN(CC(=O)NNc1ncccc1F)c1ccccc1[N+](=O)[O-]	804219743	POVOCDCLHHSEFF-UHFFFAOYSA-N	319.296	1.708	50	20	DDGD	
COC1(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)CCCC1	802103885	LOUKJOQTXJHJNU-UHFFFAOYSA-N	321.333	1.527	50	20	DDGD	
CC(C)CCC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)C1CC1	802709181	KALGXYPNDBIXAJ-LBPRGKRZSA-N	300.424	1.740	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCCC2(O)CCC2)n1	817174544	IPUBBMPOPMQJMR-UHFFFAOYSA-N	309.370	1.115	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)c1c(C)nc2ccccn12)OC	811851509	GWZKHFYYHUGZGZ-NSHDSACASA-N	319.365	1.012	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc(F)c[nH]2)cc1OC	814715523	ZXJQOFOIAJXQCN-UHFFFAOYSA-N	307.281	1.246	50	20	DDGD	
CC(=NNC(=O)Nc1ccc2c(c1)OCO2)c1ccc(O)nn1	814993744	HGUFOQDHBBIZKZ-UHFFFAOYSA-N	315.289	1.457	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1cc(F)c(N)c(F)c1	814788001	XNBYHDTYBLVHLC-UHFFFAOYSA-N	307.304	1.661	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc2c(C)cc(O)nc2c1	813424398	WXWWQMHIVWWKCV-UHFFFAOYSA-N	316.361	1.993	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)CCc2cncnc2)c1	815906018	JUPDSJQIJKGBCR-UHFFFAOYSA-N	302.725	1.473	50	20	DDGD	
O=C(NNc1ccccn1)[C@H]1CCCN(c2ccccc2)C1=O	815969419	SEWHCWKWCBUMFP-CQSZACIVSA-N	310.357	1.968	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(=O)n(C)n1	812761935	HNPXVGFEHJIPTP-UHFFFAOYSA-N	300.362	1.969	50	20	DDGD	
COCCN(C)NC(=O)c1cn(C)nc1-c1ccccc1OC	816560788	AIQZPVBXTWTGNH-UHFFFAOYSA-N	318.377	1.319	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCC(C)CC1)c1csnn1	814763765	FYSLWWIKCAODMM-LLVKDONJSA-N	309.439	1.746	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)[C@H](F)C(F)(F)F	810339943	UCLQZTVFYPZFMW-LURJTMIESA-N	305.191	1.475	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NCCN2CCOC[C@@H]2C)c(C)c1	729614703	QQRLCTHPPRRHMQ-HNNXBMFYSA-N	320.437	1.959	50	20	DDGD	
O=C(CCCc1nn[nH]n1)NNc1cc(F)c(F)c(F)c1	821163794	KZOYXCXATFKCCX-UHFFFAOYSA-N	300.244	1.083	50	20	DDGD	
CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NNc2ccncn2)C1	496681692	CWKQNMIYCZWVPW-JTQLQIEISA-N	319.365	1.177	50	20	DDGD	
O=C(NNc1ccccn1)Nc1ccc(F)cc1-c1nn[nH]n1	826449260	JHNFEIWGOVOYCU-UHFFFAOYSA-N	314.284	1.549	50	20	DDGD	
CN(C)c1nc(Cl)c(C(=O)NNC(=O)C2CCCC2)s1	822474295	KDJSHUSJUZBLHN-UHFFFAOYSA-N	316.814	1.814	50	20	DDGD	
C#CCCCCC(=O)NNC(=O)CCNC(=O)OC(C)(C)C	495434059	MDGAHCGABLLEAD-UHFFFAOYSA-N	311.382	1.242	50	20	DDGD	
COc1ccc(SC)c(OC)c1C(=O)NN(C)[C@@H](C)CO	823938976	DJKMIJCYPWXLSC-VIFPVBQESA-N	314.407	1.383	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@H](C)[C@@H]1CCCN(C(=O)OCC)C1	495487784	QOJLPQHKQIKZOF-HUPKAIDTSA-N	323.393	1.804	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)COC(F)(F)F)c(F)c1	822243772	SVHLQCSKYVCUOJ-UHFFFAOYSA-N	310.203	1.592	50	20	DDGD	
CC(=O)N1CC[C@@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)C1	490848300	ZZZIREQBBVPBEJ-JEMSNHSXSA-N	301.321	1.470	50	20	DDGD	
C[C@]1(C(=O)N2[C@H]3CC[C@H]2CC(=O)NC3)C[C@@H]1Br	906900054	GFWFHMKEVZGYEP-PEFMBERDSA-N	301.184	1.039	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@H](C)Cc1cncc2ccccc12	823924002	XBPJRWIHBOYDDJ-OLZOCXBDSA-N	301.390	1.757	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)Cc2c[nH]c3ccccc23)CO1	828419445	CHLWLHIKNVJRQU-PWSUYJOCSA-N	316.361	1.218	50	20	DDGD	
COC(=O)NNC(=S)NCc1ccc(OC(F)(F)F)cc1	491934936	YHWUIYRRXYUPAH-UHFFFAOYSA-N	323.296	1.820	50	20	DDGD	
O=C(NNc1cccc(F)c1F)c1ccc(-c2nn[nH]n2)nc1	823281568	VAIHSEFUDWRIKQ-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
Cc1cccc2c1CCN(C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)C2	827301429	WQFYNVXQCWDFPX-SWLSCSKDSA-N	317.389	1.519	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NN(C)[C@H](C)CO)c1C	823976924	LGFGOLPRCHBCIN-WPBJZHHJSA-N	318.421	1.766	50	20	DDGD	
CCCCN(C)c1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cc1	585069587	NOKDHDNLAWCGJU-CQSZACIVSA-N	304.199	1.612	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(Cl)c(C(=O)NC)c1	494467451	FXULVTYBZRIBGF-UHFFFAOYSA-N	314.729	1.482	50	20	DDGD	
CC[C@H](C)OC(=O)/C(C#N)=C/c1cc(-c2nn[nH]n2)n(C)c1C	736323293	DFJVASOEXSIACB-DAVUEJTQSA-N	314.349	1.762	50	20	DDGD	
Cc1cc(NNC(=O)C2CN(C3CCCCC3)C2)nc(N)n1	828372200	UCXIMECTZSMTHE-UHFFFAOYSA-N	304.398	1.075	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1cccnc1	824384809	HPEUIIJDJDJNTB-NSHDSACASA-N	323.360	1.899	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H](OC(C)C)c2ccccc2)nc1O	824043760	DJPWVLFICMJOHA-GFCCVEGCSA-N	317.349	1.495	50	20	DDGD	
CS(=O)(=O)/C(C#N)=C/c1ccc(OC(F)(F)C(=O)O)cc1	730730311	WWOXUTQFOYMIGO-UXBLZVDNSA-N	317.269	1.652	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cn1	491101703	FXCRBEHRRCRUOP-MBEMJNIMSA-N	308.385	1.998	50	20	DDGD	
C[C@]1(c2cccs2)C[C@H]1CNCc1ccc(B(O)O)cc1F	585024520	YSVQMRFMUOHPCV-LRDDRELGSA-N	319.210	1.634	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNC(=O)c1cccc2ccccc12	494167002	IYQYNQNYAMJTHM-JTQLQIEISA-N	315.329	1.345	50	20	DDGD	
CCOC(=O)COCCNC(=O)[C@H](Br)C(C)(C)C	836823652	YVGOBTMPZUCMDR-JTQLQIEISA-N	324.215	1.492	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@H]2CC(C)(C)OC2(C)C)cn1	491088306	ZGNIEHMKBFWWCU-TZQNSNDFSA-N	302.378	1.789	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1cccnc1S	732301551	CXILFLFJEUHJAP-UHFFFAOYSA-N	323.399	1.531	50	20	DDGD	
COC1([C@H](C)NC(=O)NNC(=O)OC(C)(C)C)CCOCC1	496390567	ASJAZXGITJUIOB-JTQLQIEISA-N	317.386	1.309	50	20	DDGD	
CC(=O)NNC(=O)Nc1nc2c(s1)CC1(CCOCC1)CC2	836749269	ZNVMYYLOXYOFHJ-UHFFFAOYSA-N	324.406	1.601	50	20	DDGD	
COc1cc(OC)c(C(=O)NNc2cccnn2)cc1OC	736701917	KTESNVSDRRCGDY-UHFFFAOYSA-N	304.306	1.259	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1CCCCN1C(=O)c1ccccc1	837621762	NDNPYDXFZABFQM-HNNXBMFYSA-N	319.405	1.291	50	20	DDGD	
CCCn1nccc1C(=O)NNc1ccc(S(C)(=O)=O)cc1	830776435	JQVXABZVNUSICN-UHFFFAOYSA-N	322.390	1.454	50	20	DDGD	
C[C@@H]1CCCCN1CCCCNCc1ccccc1B(O)O	585016430	YFAKAABILUMRDA-OAHLLOKOSA-N	304.243	1.111	50	20	DDGD	
O=C(Cc1coc2c(F)c(F)ccc12)NNC(=O)NC1CC1	906415835	FWGWZEGWMOAJBO-UHFFFAOYSA-N	309.272	1.746	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C2(N(C)C)CCC2)ccc1F	837035886	HBFDFLXKSONULH-UHFFFAOYSA-N	309.341	1.540	50	20	DDGD	
CO[C@@H](C1CC1)[C@@H](C)NC(=O)NNC(=O)Cc1ccccc1F	836642038	PRTLULAPKDUNGR-MEBBXXQBSA-N	323.368	1.512	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)cc1C	905103827	KALGUXOJUBWWCC-UHOFOFEASA-N	316.357	1.055	50	20	DDGD	
CC(=NNC(=O)C(=O)NC(C)C)c1c(Cl)nc2ccccn12	737427655	PHCYOWVXVWOAPD-UHFFFAOYSA-N	321.768	1.353	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@@H](C)CC(=O)O	832004979	XZMJQLVXZMCJEX-ZETCQYMHSA-N	314.725	1.220	50	20	DDGD	
C[C@H](CBr)CN1CCS(=O)(=O)C[C@H]1C1CC1	831386776	PUQBZJMZCPSDRM-KOLCDFICSA-N	310.257	1.526	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)ccc1F	837036444	CAXJAKLPKGNHKS-VYUIOLGVSA-N	310.325	1.869	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNc1nnc(-c2ccccn2)s1	830177034	PZZZCMMNNXNKDN-KOLCDFICSA-N	317.374	1.634	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2ncc[nH]2)cc1Br	731934686	IGQSGMZJNMQMEJ-UHFFFAOYSA-N	323.150	1.945	50	20	DDGD	
C[C@]1(C(=O)NNc2ccccc2S(C)(=O)=O)CCCCO1	837478333	CSDLRIQSKLXIPL-CQSZACIVSA-N	312.391	1.492	50	20	DDGD	
CCCCOc1ccc(C=NNC(=O)C(=O)N2CCCC2)cc1	748137408	DUYXHGCVURIGNQ-UHFFFAOYSA-N	317.389	1.938	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@H]1C[C@]12CCc1ccccc12	743317902	QVOXSNLUBHPANA-RISCZKNCSA-N	312.291	1.990	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CC(F)(F)F)N1CCc2ccccc21	746877662	QVYWSGNETIYOHY-SECBINFHSA-N	315.295	1.537	50	20	DDGD	
CN(C)CCn1nccc1C(=O)NNc1nc2ccccc2[nH]1	913508338	XSTCZSQRDMDZPV-UHFFFAOYSA-N	313.365	1.078	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)Cc2cccnc2)CCc2ccccc2C1	742635350	LRRHLQDPCDDUKG-IBGZPJMESA-N	323.396	1.967	50	20	DDGD	
CCOC(=O)CCCNC(=O)NNc1ccc(F)c(F)c1	914129257	NDTSRIIHSMXXNO-UHFFFAOYSA-N	301.293	1.934	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@@H](N)c2ccccc2)n1	841951877	ZZHSOQOLVNLFFM-GFCCVEGCSA-N	316.365	1.120	50	20	DDGD	
CCN(CC)CC(=O)NNc1ncc(Br)cn1	848319951	HIVPRRQAEBPCIL-UHFFFAOYSA-N	302.176	1.024	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)CO)c2ccccc2n1	848030869	VCNMYTCRDLFABC-UHFFFAOYSA-N	301.346	1.323	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1(c2ccc(F)cc2)CCC1	843647808	ZVIASZQJDLWSBM-RISCZKNCSA-N	320.364	1.820	50	20	DDGD	
Cc1ncc2c(n1)CC[C@@H](NC(=O)NNC(=O)CC(C)C)C2	916318794	YVBKWGAXYPMJDU-GFCCVEGCSA-N	305.382	1.019	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc([N+](=O)[O-])c1)[C@H]1CCCNC1	841929841	XIVIDRACHSDFSY-QWRGUYRKSA-N	307.354	1.609	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCCOc1ccc(F)cc1	843644060	OBMGIYZYVYMINV-SMDDNHRTSA-N	324.352	1.557	50	20	DDGD	
Cc1n[nH]cc1CNC(=O)NNC(=O)c1cc2c(s1)CCC2	916581330	XQKSKHRSNZTRTN-UHFFFAOYSA-N	319.390	1.413	50	20	DDGD	
OC[C@H]1CN(Cc2ccc(OCCCCl)cc2)CC[C@@H]1O	840974537	CISBUUXWHMJYHA-ZBFHGGJFSA-N	313.825	1.869	50	20	DDGD	
CCCCC[C@H](C(=O)NNC(=O)CN1CCCC1=O)C(C)C	913731802	WUVRZLQUGSSSRB-ZDUSSCGKSA-N	311.426	1.609	50	20	DDGD	
COc1ccc(NCC(=O)NN=C2CCN(C)[C@@H](C)C2)cc1	741454263	YVPRXVPJDFDXBG-LBPRGKRZSA-N	304.394	1.693	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)COc1ccc(Cl)cc1Cl	910182029	FTLLQUSSNZRLAS-QMMMGPOBSA-N	307.177	1.716	50	20	DDGD	
CC[C@@H](C(=O)Nc1cccc(NC(=O)NN(C)C)c1)N(C)C	843871060	VHYMGRGCPNRQJZ-ZDUSSCGKSA-N	307.398	1.563	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc(Cl)c(N2CCCC2=O)c1	919877971	VGBPAOLVRDNZPB-UHFFFAOYSA-N	310.741	1.041	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNc1cc(O)nc2ncccc12	913989894	SZGCZOCKAPRITI-VHSXEESVSA-N	304.350	1.697	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)cc1	845437236	GJLFMJUVOBNONT-MCIONIFRSA-N	319.361	1.348	50	20	DDGD	
Cc1nn(C)c(C(=O)NNc2c(F)cccc2F)c1[N+](=O)[O-]	748175266	DPKLMXRHRVWOEW-UHFFFAOYSA-N	311.248	1.672	50	20	DDGD	
CN(C)[C@]1(CNC(=O)NNc2cccc(C#N)c2)CCSC1	748645759	AKYFSYBOVRFBFZ-HNNXBMFYSA-N	319.434	1.622	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1ncc(Br)s1	842548658	AXUGTGMQKAJNAW-BQBZGAKWSA-N	318.196	1.781	50	20	DDGD	
Cc1nnc(NNC(=O)COC[C@H](C)c2ccccc2)nc1O	846627885	JBKKQYDEZDTNRG-JTQLQIEISA-N	317.349	1.149	50	20	DDGD	
CCC[C@H](C)CC(=O)OCC(=O)NNC(=O)c1ccccc1	748957641	LCPSQRMQBPCPSA-LBPRGKRZSA-N	306.362	1.817	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1	745857114	HNMYBFZQYCBWNC-IUODEOHRSA-N	318.421	1.676	50	20	DDGD	
CN1C[C@@H](NC(=O)NNc2ccc(F)cc2Cl)CC1=O	921340653	HPQGCYLUPCNRJH-QMMMGPOBSA-N	300.721	1.336	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2C[C@@H]3[C@H](C2)C3(F)F)cc(C#N)n1C	846600770	OCCSFQRDVVEGNB-RMPFGGCRSA-N	316.311	1.836	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2C[C@H](OC)C2(C)C)n1	753428890	HRSLRBFNYDRVFR-ZJUUUORDSA-N	309.370	1.233	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855833297	KNNCHUHXPREMJH-UHFFFAOYSA-N	309.410	1.126	50	20	DDGD	
O=C(CCc1ccc(O)nc1)NNC(=S)NCC1CCC1	855090456	WVNITZIXQANVLE-UHFFFAOYSA-N	308.407	1.015	50	20	DDGD	
N#CC1(C(=O)NNc2ccc([N+](=O)[O-])cc2F)CCOCC1	855621377	QMHQBXSNGXSMAA-UHFFFAOYSA-N	308.269	1.497	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC(C)(C)[C@H]1c1ccncc1	854041279	BHRHENGRQQLIHG-BXUZGUMPSA-N	304.394	1.410	50	20	DDGD	
CN(C)[C@@H](CC(=O)NNC(=O)CC(F)(F)F)c1ccccc1	855001163	WVDNEVVGXKVKMW-NSHDSACASA-N	317.311	1.779	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(Cl)ccc1N(C)C	756639875	HOZZXSPCDUZSGY-UHFFFAOYSA-N	300.746	1.205	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1csc(-c2ccsc2)n1	920372875	GGGFPZXNEGIXFB-UHFFFAOYSA-N	322.415	1.846	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NCC2(C)CC2)cc1	752018439	ASZDWONTLZPRNP-UHFFFAOYSA-N	305.378	1.758	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNC(=O)c1ccc(OC)c(OC)c1	858123458	ZFRLQKWCUYMXJD-ZDUSSCGKSA-N	324.377	1.670	50	20	DDGD	
C[C@@]1(CNC(=O)NCCCCC(=O)O)C[C@@H]1Br	857100501	FPQCUEXUGDAHSZ-KWQFWETISA-N	307.188	1.714	50	20	DDGD	
O=C(NN=Cc1ccc(F)c(F)c1)[C@@H]1CN2CCC[C@@H]2CO1	853387331	UNRLCWVWQQIKHC-RISCZKNCSA-N	309.316	1.278	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2[nH]c(C)nc2C)cc1	856734308	RJJQQPIABITSKM-UHFFFAOYSA-N	302.334	1.175	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H](C(C)C)N(C)C)ccc1C	857267495	YWGHEKSKRXRTBG-AWEZNQCLSA-N	307.394	1.811	50	20	DDGD	
CCCCC1CCC(C(=O)NNC(=O)CN2CCCC2=O)CC1	920827363	SZFVCBZODKNZRN-UHFFFAOYSA-N	323.437	1.753	50	20	DDGD	
CO[C@]1(CNC(=O)NC[C@]2(C)C[C@H]2Br)CCOC1	856848080	AHTLIOFQKMHVRP-USWWRNFRSA-N	321.215	1.265	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1)c1cc[nH]n1	855356753	XMCLSAZLUSGLAZ-UONOGXRCSA-N	312.373	1.830	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1cccc(C)c1Br	858781725	HQQSEFIHXRARFZ-UHFFFAOYSA-N	314.183	1.650	50	20	DDGD	
O=C(Cc1ccn(-c2ccccc2)n1)NNC(=O)c1ccccn1	756900564	GBSLDEZDVPPJKU-UHFFFAOYSA-N	321.340	1.271	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2CCN(C)C(=O)C2)ccc1C	857268100	XRHNNCCKXHOSTO-LLVKDONJSA-N	319.361	1.093	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2	858163606	HOHWRCKKEWPBGT-HUBLWGQQSA-N	313.467	1.687	50	20	DDGD	
CC(=O)N[C@H](CC1CCC1)C(=O)NNc1ccc(Cl)cn1	856091656	SNMHIAKPTPCXCM-GFCCVEGCSA-N	310.785	1.873	50	20	DDGD	
Cc1nnc(CC(=O)NNc2ccc([N+](=O)[O-])cc2C)s1	854457585	JWLDISPWKLQXGZ-UHFFFAOYSA-N	307.335	1.749	50	20	DDGD	
CCC(C#N)(CC)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	858123687	ASKMWJYJHFZUGH-ZDUSSCGKSA-N	317.345	1.304	50	20	DDGD	
Cc1cnn(C)c1S(=O)(=O)NC[C@@]1(C)C[C@H]1Br	856753528	SZJRQDIXBHXIKZ-PSASIEDQSA-N	322.228	1.180	50	20	DDGD	
COc1ccc2c(c1)[C@H](C(=O)NNc1cnnn1C)CCC2	857269978	KZRBGVYSZUQRDY-GFCCVEGCSA-N	301.350	1.387	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC[C@@H](Oc2ccccc2)C1	852680755	GPLUUYQLWFJKBL-CQSZACIVSA-N	319.405	1.333	50	20	DDGD	
O=C(NC[C@@H]1CCCc2ccccc21)NNC(=O)c1cn[nH]c1	858117685	WZPJAWGZHLHZNP-LBPRGKRZSA-N	313.361	1.474	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCCCC#N	753265315	XIQFAJBNACYVHQ-JTQLQIEISA-N	308.313	1.227	50	20	DDGD	
O=C(N[C@H]1C[C@@H](CO)C1)[C@@]12CC[C@@H](C[C@H]1Br)C2	869872949	WGUGWVWHUJFBNN-ZTVLKNOQSA-N	302.212	1.827	50	20	DDGD	
CCc1nnsc1C(=O)NNCC(F)(F)C(F)(F)F	863091632	XZUVEMHKWWTOLM-UHFFFAOYSA-N	304.244	1.533	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)c1	862477637	OWFOIQJPUAKKCK-ZJUUUORDSA-N	309.391	1.109	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CCn2cc(Cl)cn2)c1	862478490	ZKJTZBJADLDUEO-UHFFFAOYSA-N	312.782	1.758	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)[C@@H]1C[C@]12CCOC2	764110538	QLHWTVRWMPROIY-HZMBPMFUSA-N	301.306	1.001	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccnc(Oc2ccccc2)c1	768245385	ADCGSTHQEFPAPO-UHFFFAOYSA-N	315.329	1.406	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNc1ccc(Br)cc1	866869314	YXCWWRWLLWDLCJ-LLVKDONJSA-N	314.183	1.807	50	20	DDGD	
CCc1cccnc1C(=O)NNC(=O)c1ccc(Cl)nc1	766556265	QCFQBVCKFDRPHK-UHFFFAOYSA-N	304.737	1.767	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC(C=NNC(=O)c2cn[nH]c2)CC1	863154756	KWSNVNSAZIASEF-UHFFFAOYSA-N	321.381	1.772	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cccc(C(C)=O)c1	765472879	QXZPYNPCJSKUPF-UHFFFAOYSA-N	312.325	1.973	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)COCc2ccccc2)c1C	865985241	NXSLZBNSRIJQPQ-UHFFFAOYSA-N	316.361	1.189	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cc(-c2ccccc2)ns1	763442746	BJGOSFMGFGDNLA-UHFFFAOYSA-N	318.358	1.306	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1cnn(Cc2ccccc2)c1	760239557	MHZUADGMCFAKAZ-UHFFFAOYSA-N	320.356	1.875	50	20	DDGD	
C[C@H]1C[C@H](c2ccccc2)N(C(=O)c2cccc(B(O)O)c2)C1	868314365	SURVTYDTZDCFCY-SUMWQHHRSA-N	309.174	1.590	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)OCCCS(C)(=O)=O	766749840	FKOJEIKTMMICBK-QMMMGPOBSA-N	315.229	1.774	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccncc1Br	763303984	XIIBWHDWBBRSCN-UHFFFAOYSA-N	313.155	1.198	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)c1ccc(OC2CCC2)cc1	862472677	QSSNCQRKCNVHFC-UHFFFAOYSA-N	300.318	1.416	50	20	DDGD	
Cc1cc(NCc2ccccc2B(O)O)ccc1N1CCCC1=O	1119237935	RCAUUBOMOAZQHY-UHFFFAOYSA-N	324.189	1.414	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cnc3nccnc3c2)n1	760314878	MLYZTBXGBJIECH-UHFFFAOYSA-N	315.724	1.534	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1cc(C)co1	877918553	SGMGNGYGQCSDSN-UHFFFAOYSA-N	302.330	1.990	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H](C)C[C@@H]2CCOC2)cc1	1116268276	NVAKYXHRVSHMQA-RYUDHWBXSA-N	321.377	1.454	50	20	DDGD	
CC(C)(O)CN1CCC(NC[C@]2(C)C[C@H]2Br)CC1	877646658	KKHUULUWGXDWKS-OCCSQVGLSA-N	319.287	1.985	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)c2ccccc2F)c(C)o1	776271875	KULGMCFKNPQMAO-UHFFFAOYSA-N	312.322	1.659	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@@H](C)Cn2ccnc2C)cc[nH]1	875189330	SQTUOJOLBIDVDZ-LLVKDONJSA-N	302.382	1.279	50	20	DDGD	
CC(C)(CNS(=O)(=O)CCCCl)C1(O)CCOCC1	882268860	IDWGDYCZFUGPBO-UHFFFAOYSA-N	313.847	1.102	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@H]2CCN(c3ccccn3)C2)cc[nH]1	875419168	AEOAULPJYIHLET-AWEZNQCLSA-N	312.377	1.112	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1ccn(C(C)C)n1	772130706	BFLYCZRFZIWSCV-NSHDSACASA-N	324.381	1.203	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(Cl)c(C#N)c1	772301257	CJXGMWZNBUYWRU-QMMMGPOBSA-N	323.736	1.314	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccc(OC(F)F)cn2)nn1	775213762	JHDOJDHNKJBBDK-UHFFFAOYSA-N	324.291	1.608	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H](C)Cc2cnc[nH]2)c1	873776234	BDPIXVGWMXQHOK-NSHDSACASA-N	317.418	1.915	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NN=Cc1cnnn1C	773106442	ZTGUKUNLPISPRE-SECBINFHSA-N	307.741	1.386	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccn(C(F)F)n2)c(O)c1	775783544	JATRFADNBKSEHI-UHFFFAOYSA-N	310.260	1.367	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)NC2CCCC2)c1C	772690748	GINPLCSXFCUVGA-UHFFFAOYSA-N	307.398	1.878	50	20	DDGD	
COCCOCC(=O)NN=Cc1cccc(OC(F)(F)F)c1	872403778	XXYWWFFJCQVUDK-UHFFFAOYSA-N	320.267	1.698	50	20	DDGD	
C[C@H]1CCCCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C1	775729885	XGDDHZGBUZTMQP-ZDUSSCGKSA-N	314.389	1.441	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cncc(OC(C)C)c1	872340076	LIIVEGOQCOPETD-SNVBAGLBSA-N	315.395	1.224	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C2CC2)c2ncccc12	771282228	PKKYZFHXIRCSFM-UHFFFAOYSA-N	300.318	1.806	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc(F)c1Cl	772164022	BIUBZEWXEVUNTB-ZETCQYMHSA-N	316.716	1.582	50	20	DDGD	
O=C(NNc1cc(Br)ccc1F)[C@H]1COCCO1	885145837	HCQKOTKLPRSICB-SNVBAGLBSA-N	319.130	1.447	50	20	DDGD	
CO/C(=C/c1ccccc1)C(=O)NNC(=O)C1CCOCC1	883070719	AUSPUVAXHRQWJT-SDNWHVSQSA-N	304.346	1.248	50	20	DDGD	
C[C@@H](CNC(=O)C1CCC(Cl)CC1)CN1CCOCC1	1123682123	AZUYGWYTZOHEHB-HSBZDZAISA-N	302.846	1.869	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(-c2ncn(C)n2)cc1	779889111	OHYDZLGKDKPUOD-UHFFFAOYSA-N	316.365	1.226	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2ccc(O)c(C(=O)O)c2)n1	777429151	FLBZGPQAHMASNR-UHFFFAOYSA-N	319.342	1.548	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2nccnc2C(C)C)cn1	772860477	RUBJFLXTSTYEIF-UHFFFAOYSA-N	315.333	1.539	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2nc(C)ccc2OC)n1	775784797	GYACWMYRGLUJNG-UHFFFAOYSA-N	304.310	1.346	50	20	DDGD	
N#Cc1ccc(CCC(=O)NNC(=O)C2CCOCC2)cc1	883060211	BGIUGSHVCPZECV-UHFFFAOYSA-N	301.346	1.065	50	20	DDGD	
CCC(=O)NN[C@@H](C(=O)OC)c1ccccc1C(F)(F)F	782900166	VWZFFMIPWKUZGC-LLVKDONJSA-N	304.268	1.950	50	20	DDGD	
CCn1[nH]c(C)nc1=NC(=O)NC[C@@]1(C)C[C@@H]1Br	888547962	XMBCRNCPOGQIIA-GZMMTYOYSA-N	316.203	1.323	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](COc2ccccc2)C1	780374073	MNLNQCMONDKCCZ-KBPBESRZSA-N	319.405	1.333	50	20	DDGD	
C[C@@H]1CCCN(C[C@@H](C)NS(=O)(=O)CBr)C1	788914305	VWZFLDQRDGBUCN-NXEZZACHSA-N	313.261	1.379	50	20	DDGD	
CC(C)[C@H](O)C(C)(C)CNS(=O)(=O)CBr	782473988	ZWQRIRNRFUKRBU-QMMMGPOBSA-N	302.234	1.301	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2)C1CCCC1	785408180	FUYGENDRLRFXSX-GWOFURMSSA-N	320.311	1.680	50	20	DDGD	
COC(=O)CCC(=O)COC(=O)/C(C#N)=C\c1ccccc1	785365914	JTNVDMUKOUNYRU-LCYFTJDESA-N	301.298	1.659	50	20	DDGD	
OC1(Cc2cn(/C=C\CBr)nn2)CCOCC1	881294686	AACBASJNHZRHOL-KTAJNNJTSA-N	302.172	1.228	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(C)C[C@@H]1CCN1C(=O)OC(C)(C)C	887296175	WRJVQERRXPONHV-HHQWOOOKSA-N	323.393	1.898	50	20	DDGD	
O=C1CCC[C@@H]1[C@H]1COCCN1S(=O)(=O)CCCCl	882054924	CQQBMOZFWJZLEI-GHMZBOCLSA-N	309.815	1.015	50	20	DDGD	
COc1ccc(C=NNC(=O)c2c(C)nc3ccccn23)cn1	780196081	ZZTNACZJNKKAPM-UHFFFAOYSA-N	309.329	1.810	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@H]1Cc2cc(F)ccc2O1	899995333	MTPRGFGDKRUTIY-LLVKDONJSA-N	311.382	1.423	50	20	DDGD	
COc1ccc(C#N)cc1NC(=O)C(=O)NN(C)c1ccccc1	783428723	AZPLJUUVTGCMSD-UHFFFAOYSA-N	324.340	1.673	50	20	DDGD	
C[C@H](CBr)CN1CCN(CC(C)(C)O)[C@H](C)C1	782005075	WYXMECJFRUOYQR-VXGBXAGGSA-N	307.276	1.794	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H](C)CN2C[C@H](C)O[C@H](C)C2)sn1	785451709	USTFKLVOPSKWBG-WCFLWFBJSA-N	324.450	1.647	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@H](C)[C@@H](O)CC	899940247	INRSUXJJZSJARS-NEPJUHHUSA-N	324.377	1.019	50	20	DDGD	
Cn1c(NNC(=O)c2cc3n(n2)CCCC3=O)nc2ccccc21	899095166	GOFCHFMOHFLXTE-UHFFFAOYSA-N	324.344	1.503	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cc2sc(C)nc2C)nc1	897235926	ZQOISAFTOCHSNM-UHFFFAOYSA-N	320.374	1.627	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(C)c(O)c2O)n1	780957432	ZJRBNEDCMBFMJE-UHFFFAOYSA-N	304.306	1.270	50	20	DDGD	
CCOC(CCNC(=O)NNc1ccc(F)cn1)OCC	787311832	OIPFBPXIVRCUQG-UHFFFAOYSA-N	300.334	1.636	50	20	DDGD	
CC(=O)Nc1ccc(C)c(C(=O)NNC(=O)NCC2CC2)c1	780469711	FSOKAAPYVQQURW-UHFFFAOYSA-N	304.350	1.307	50	20	DDGD	
C[C@H]1CC[C@@H](NC(=O)NNC(=O)COc2ccccc2C#N)C1	780783639	WJYYASJLHNRVIM-WCQYABFASA-N	316.361	1.456	50	20	DDGD	
CCn1cc(CC(=O)NNC(=O)Nc2ccccc2C)cn1	781022812	JUMHMODEYBMJSF-UHFFFAOYSA-N	301.350	1.607	50	20	DDGD	
CSC1(C(=O)NNC(=O)COc2ccc(C#N)cc2)CCC1	786638697	OYPTULJSUPUIGG-UHFFFAOYSA-N	319.386	1.370	50	20	DDGD	
O=C(Cc1csc2nccn12)NNc1ncncc1Cl	781829611	KMTHOMKDMPDFHI-UHFFFAOYSA-N	308.754	1.525	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1cccc(OCC(N)=O)c1	792235582	CONNIFKQLSBHOK-UHFFFAOYSA-N	315.333	1.403	50	20	DDGD	
CO[C@]1(C(=O)NNc2nc(-c3ccccc3)no2)CCSC1	896140879	XARYFGYFTYSHKY-CQSZACIVSA-N	320.374	1.702	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc(O)ccc1C(F)(F)F	793208332	WSLPHZUCCJSMAN-UHFFFAOYSA-N	317.267	1.765	50	20	DDGD	
COc1cc(NNC(=O)CCN2CCCC2=O)ccc1Cl	790171792	WOEBCFBZXQGMKT-UHFFFAOYSA-N	311.769	1.804	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)N2CCN(C)CC2)[C@@H](C)C1	790180996	GNMSMRAPJMCAGZ-STQMWFEESA-N	324.425	1.299	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cccc(C#N)c1C	793078083	BHDVNIWWCYAIKT-UHFFFAOYSA-N	309.416	1.933	50	20	DDGD	
CN(C)c1cc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])ccn1	791062719	GXPQGNZCNPNWBR-UHFFFAOYSA-N	319.296	1.952	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)c1cccc(C)n1)c1ccc(F)cc1	795468938	QEMAKNNHZXPFHS-AWEZNQCLSA-N	317.320	1.678	50	20	DDGD	
C#CCOc1ccc(NC(=O)NNC(=O)c2cccc(C)n2)cc1	797625433	RCZIMUFALXTTOX-UHFFFAOYSA-N	324.340	1.869	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)NCC(F)(F)F)N1CCCCCC1	798313250	DEHPULUQCSVAPX-VIFPVBQESA-N	310.320	1.144	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(C)n2)cc(Cl)n1	794080394	MFQHFIJACLBYPH-UHFFFAOYSA-N	304.737	1.822	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccc2ccccc2n1)[C@@H](C)O	790069874	FMHGVPZAWREBMY-ZYHUDNBSSA-N	301.346	1.403	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cc(-c2ccco2)[nH]n1	791239128	CJNJQOZKMYVHHY-UHFFFAOYSA-N	309.289	1.469	50	20	DDGD	
Cc1cnn(C)c1C=NNC(=O)[C@@H](C)CN1CCC(C)CC1	794878957	JYUJWDWIDUFKKG-AWEZNQCLSA-N	305.426	1.547	50	20	DDGD	
O=C(CCl)NCCCCN1CCN(c2ccccc2)CC1	1319674272	JHYKORFRLJLLMZ-UHFFFAOYSA-N	309.841	1.944	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=S)NC(C)C)n[nH]2)o1	1323151872	SGRWCARAGHJTMS-UHFFFAOYSA-N	307.379	1.495	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2ccc(C)cc2O)nn1C	1325151866	XOQIBMYOMFBSKO-UHFFFAOYSA-N	302.334	1.071	50	20	DDGD	
C[S@](=O)Cc1cccc(C(=O)NNc2ncncc2F)c1	1327966062	VUWFFQPMHFPCOS-NRFANRHFSA-N	308.338	1.251	50	20	DDGD	
Cc1cc(C)nc(NC(=O)C(=O)NNc2ccc(Cl)nn2)c1	1321265653	IUUOPNDBRNEQDM-UHFFFAOYSA-N	320.740	1.224	50	20	DDGD	
COCc1nocc1C(=O)NNc1nccnc1C1CCC1	1324061391	UJVXTEODSYKZPQ-UHFFFAOYSA-N	303.322	1.635	50	20	DDGD	
CCc1nc(C(=O)NNc2ccccc2S(C)(=O)=O)co1	1320507475	UMBCBRMYGOFOFZ-UHFFFAOYSA-N	309.347	1.397	50	20	DDGD	
CC(C)(F)CCNC(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1329545220	JVQRFZMCLCVYHT-PELKAZGASA-N	323.206	1.531	50	20	DDGD	
C[C@H](NNC(=O)Cc1csc(-c2nc[nH]n2)n1)C(F)(F)F	1330098947	MXMDPINBTPNKMZ-YFKPBYRVSA-N	320.300	1.042	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1cnn(Cc2cccnc2)c1	1254033053	HJOWZKCNWMJITP-UHFFFAOYSA-N	316.365	1.525	50	20	DDGD	
C[C@]12CN(C(=O)NNC(=O)c3ncccn3)C[C@H]1[C@H]1CC[C@@H]2C1	1263113605	OMQGVOWSVJODEB-MEQWQQMJSA-N	315.377	1.199	50	20	DDGD	
CC(C)CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)NCC1CC1	1345691166	JLMVGLATOBDLDL-ZDUSSCGKSA-N	324.425	1.154	50	20	DDGD	
CSCC[C@H](N)CC(=O)NC[C@]1(C)C[C@H]1Br	1357908891	ABENDFGAJZJZGA-NGZCFLSTSA-N	309.273	1.747	50	20	DDGD	
N#CC1=CCN(C(=O)CCc2nc(-c3ncccn3)no2)CC1	1362232405	NYCSOROLQOUGIV-UHFFFAOYSA-N	310.317	1.141	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cnc2cc(O)ccc2c1	1520747394	NZCPEIXZAUEEKT-UHFFFAOYSA-N	318.402	1.848	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cc3c(nc2O)CCC3)c1	1608936269	JPHLYJFXQYXVLU-UHFFFAOYSA-N	313.313	1.731	50	20	DDGD	
Cc1ccc(CC(=O)NNc2ccc(C(=O)O)cn2)c(Cl)n1	1600400231	ZTGUTMLMMWWVFZ-UHFFFAOYSA-N	320.736	1.822	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C[C@@](C)(O)C(=O)O)C1	1604370475	YUFNJFLZPCCOLI-SMDDNHRTSA-N	303.475	1.918	50	20	DDGD	
O=C(O)CCN1CCC(=NNC(=O)c2ccc(Cl)cc2)CC1	1608722943	DVOUKWRXYBNNPD-UHFFFAOYSA-N	323.780	1.996	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)c1cscc1-c1nn[nH]n1	1606862215	YOPAAUPNZPNKHA-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNc2ccc(C)c(C(=O)O)c2)C1	1604853359	RDSSIEYRDRXTLX-LLVKDONJSA-N	319.361	1.395	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)O)cc1	1606488117	RSOPUWFKHQYBJK-WDEREUQCSA-N	307.306	1.609	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H](F)C(F)(F)F	1609559092	GHSXERSLCQPRDJ-SSDOTTSWSA-N	304.207	1.210	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1609316785	OAXKTWSNKXCLLB-ZJUUUORDSA-N	304.354	1.228	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNc1ccc(C(=O)O)c(F)c1	1610010384	FEVDQVVQQJQTGW-UHFFFAOYSA-N	312.297	1.556	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@H]2C=NNC(=O)[C@@H]2CCCO2)cn1	1552452414	KZOIODGDZCWFOZ-FPMFFAJLSA-N	306.366	1.169	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@H](N)Cc1ccc2cc[nH]c2c1	1575231498	RABOTVQVQFHBST-GFCCVEGCSA-N	318.377	1.594	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H](CCNC(=O)NN)Cc1ccccc1	1575208579	NTBJUBQFVBFXBO-CYBMUJFWSA-N	322.409	1.685	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)CCCCCN)c1ccc(F)cc1	1578891223	JLIDOKPJEJTYDC-CQSZACIVSA-N	311.357	1.180	50	20	DDGD	
CN(N)C(=O)c1ccc2c(c1)OCCN(C(=O)OC(C)(C)C)C2	1573882932	VGROIWLUGOEDKR-UHFFFAOYSA-N	321.377	1.762	50	20	DDGD	
C=CCCC[C@H](N)C(=O)NNc1cccc(S(C)(=O)=O)c1	1574908470	OTIBASFMUVBHEW-ZDUSSCGKSA-N	311.407	1.217	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cccc2c1CCN2	1580736924	CQQAPRKRPOULTC-UHFFFAOYSA-N	304.419	1.564	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](F)[C@@H]1CCNC1	1580736904	BTFUXZUQANRVCA-HQJQHLMTSA-N	316.720	1.639	50	20	DDGD	
C[C@H](CC(=O)O)NC(=O)NNc1ccc(Br)cn1	1589001244	IJKOQCNZFVOYJN-ZCFIWIBFSA-N	317.143	1.333	50	20	DDGD	
N#CC1(C(=O)N2CC3(CCCN3C(=O)[C@H](F)Cl)C2)CCC1	1843367497	HRZFALSEOBXFSL-JTQLQIEISA-N	313.760	1.418	50	20	DDGD	
C=C(C)C[C@@H](NC(C)=O)C(=O)NNc1cccc(C(=O)O)c1C	1588546728	BJZUVKBMEUBNFE-CQSZACIVSA-N	319.361	1.607	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1cccc(-c2nn[nH]n2)n1	1581266150	GLHVQFFVXCRJJY-UHFFFAOYSA-N	311.309	1.114	50	20	DDGD	
O=C(C1=CCCC1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843363347	XVJVYTOQBYEDJT-LLVKDONJSA-N	300.761	1.835	50	20	DDGD	
O=C(NCc1ccc2c(c1)CNC2)NNC(=O)[C@H]1CCCS1	1580717830	CILOQUBZMCHUIO-CYBMUJFWSA-N	320.418	1.016	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C1CC1	1589052649	JGHXRKHBXICHAJ-UHFFFAOYSA-N	314.349	1.064	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(CC(=O)O)cc1)c1nccn1C	1593101293	BRIRTGSEKHZVHC-JTQLQIEISA-N	317.349	1.435	50	20	DDGD	
CC(C)C[C@H](CN)NC(=O)NNc1ccc(C(=O)O)cc1F	1591144498	QMUJTZWZIIAGDG-SNVBAGLBSA-N	312.345	1.523	50	20	DDGD	
CCCn1cc(C(=O)NNc2cccc(F)c2C(=O)O)nn1	1596112327	VWPOSIWNMALXNR-UHFFFAOYSA-N	307.285	1.282	50	20	DDGD	
COc1ccc(Br)c(NNC(=O)CCC(=O)O)c1	1594075115	BTPLWTHBPHOURJ-UHFFFAOYSA-N	317.139	1.766	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2c[nH]c(C(=O)O)c2)c1F	1598999518	JZTSIOOCTRIUIJ-UHFFFAOYSA-N	321.264	1.396	50	20	DDGD	
COCCCS(=O)(=O)/C(C#N)=C\c1cccc(CC(=O)O)c1	1777206979	JBNVNOJDMUVTHQ-ZROIWOOFSA-N	323.370	1.629	50	20	DDGD	
C[C@@H]1C(=NNC(=O)c2ccc(C(=O)O)cc2)CC[C@@H]1CC(=O)O	1776101028	NJGSFOPQGXBBTJ-JOYOIKCWSA-N	318.329	1.991	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=Cc1ccc(OCCC(=O)O)cc1	1776102385	OLKJPOKODLIUQK-UONOGXRCSA-N	320.345	1.415	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1sc(Cl)cc1C(=O)O	1776082248	FDLKKVHPYQIHEV-RQJHMYQMSA-N	316.766	1.975	50	20	DDGD	
COCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl	1796804323	QITZBPMMEWYQKB-DTHBNOIPSA-N	306.765	1.196	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl)c1ccon1	1796804505	WHDUVBPURZWQKZ-PKIKSRDPSA-N	315.732	1.461	50	20	DDGD	
COCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl	1796803992	GEHWMICDTQWSLG-LSCVPOLPSA-N	320.792	1.586	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc3[nH]nnc3c2)cc1	16495698	CYCGCWPQZLONQH-UHFFFAOYSA-N	311.301	1.041	50	20	DDGD	
O=C(CCCNC(=O)C1CC1)NNc1cnc2ccccc2n1	163597344	CCIIVCZKQQRPCF-UHFFFAOYSA-N	313.361	1.379	50	20	DDGD	
CN(C)c1ccc(C(=O)NNc2cccc([N+](=O)[O-])c2)cn1	151803727	MSFALLGKMUQDKI-UHFFFAOYSA-N	301.306	1.813	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H]1C1CC1)c1cc(-c2cccs2)n[nH]1	152314885	MMXDWJHZMLHFHR-ZJUUUORDSA-N	316.386	1.945	50	20	DDGD	
C=CCC(CC=C)C(=O)NNC(=O)c1cccc(OC)c1O	156551805	BLMJIYDXPZVHEW-UHFFFAOYSA-N	304.346	1.930	50	20	DDGD	
NC(=O)COc1ccc(C(=O)NNc2ccncc2Cl)cc1	154511800	FTWGJHFDDLEPRI-UHFFFAOYSA-N	320.736	1.356	50	20	DDGD	
C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)CCl	261507903	NOEXDCVLDWYOTB-JTQLQIEISA-N	312.753	1.225	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1ccc(F)nc1F	827792717	AJRAJDYFAVUHFL-UHFFFAOYSA-N	307.322	1.106	50	20	DDGD	
CCCc1ccc(S(=O)(=O)NNC(=O)c2ccccn2)cc1	7386086	HAFAIBFAPKOHGQ-UHFFFAOYSA-N	319.386	1.657	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccccc2)c(OC)c1	8290369	HHJSZVXXSJYFLM-UHFFFAOYSA-N	300.314	1.779	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Cc1coc(-c2ccccc2)n1	57657919	NANHDDXKISQQLK-UHFFFAOYSA-N	324.340	1.684	50	20	DDGD	
CCOc1ccc(-c2nc(C(=O)NNC(=O)NC)cs2)cc1	56377132	ATOQVFFENYLYIY-UHFFFAOYSA-N	320.374	1.783	50	20	DDGD	
O=C(NNC(=O)c1ccc2ccccc2n1)c1cncc(O)c1	109935494	LCWXLWKVQQVWQQ-UHFFFAOYSA-N	308.297	1.410	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)Cn1ccc2ccccc21	104829908	ISDBINDVQXBMLL-UHFFFAOYSA-N	322.368	1.901	50	20	DDGD	
COC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)c2ccc(C)o2)C1	176209618	ZVJTZAUKKAMGAN-MNOVXSKESA-N	308.334	1.328	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNc1c(F)cccc1F	118511027	JSROKPMKKNGWDM-UHFFFAOYSA-N	311.313	1.899	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CC2(Cl)Cl)cc1	119562576	AUGDNHIJBLUUMN-JTQLQIEISA-N	317.172	1.715	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)c2ccc(-c3ccccc3)[nH]2)nn1	176901689	XNZZFRWHEUPIKX-UHFFFAOYSA-N	322.328	1.328	50	20	DDGD	
Cc1cnn(-c2ccc(C(=O)NNC(=O)NCC3CC3)cc2)c1	65191919	SCLKGRWBDKFBEU-UHFFFAOYSA-N	313.361	1.535	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)CSc2ccccc2O)[nH]1	125526637	GEYDKXOQCGFAFT-UHFFFAOYSA-N	319.386	1.890	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)CCC1CCOCC1	120554972	MMVPPHXHSRVGHS-CYBMUJFWSA-N	313.442	1.317	50	20	DDGD	
O=C(NNC(=O)c1ccc(F)cc1O)c1cccc([N+](=O)[O-])c1	123175471	PTHQOHYBOVXXAZ-UHFFFAOYSA-N	319.248	1.514	50	20	DDGD	
COc1cccc(NNC(=O)c2ncn(-c3ccccc3)n2)n1	180710250	PBQIIFQSFQXAQB-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
CN(Cc1ccco1)C(=O)NNC(=O)COCc1ccccc1	127481664	ICJNYLQGURVVEG-UHFFFAOYSA-N	317.345	1.669	50	20	DDGD	
O=C(/C=C/c1ccc[nH]1)NNC(=O)[C@H]1COc2ccccc2O1	189534586	KPIVTUSELFABQB-HSBSLETESA-N	313.313	1.015	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@@H]2C[C@]2(C)C(C)C)c1	188294345	ZUTVMELYPOMCST-WMLDXEAASA-N	319.405	1.937	50	20	DDGD	
CS(=O)(=O)Nc1ccccc1C(=O)NNc1ccccn1	181190798	FLGAACADRNTZNW-UHFFFAOYSA-N	306.347	1.210	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc(C(F)(F)F)nc1	73501720	OUOWLIIGQCWGCC-UHFFFAOYSA-N	312.251	1.514	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(C(F)(F)F)nc1C	78359471	RMDZIHKMUCRCTP-UHFFFAOYSA-N	318.324	1.704	50	20	DDGD	
Cc1cnc(NC(=O)C(=O)NNc2c(C)cccc2F)s1	187516035	JKZNENNAUNMZEJ-UHFFFAOYSA-N	308.338	1.981	50	20	DDGD	
O=C(CCc1ccc2[nH]ccc2c1)NNC(=O)Cc1cc[nH]n1	186125459	WNVIHLJORPEOKZ-UHFFFAOYSA-N	311.345	1.214	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H]1SCCc2ccccc21	132085468	UHXQQQCMOTVZKE-LBPRGKRZSA-N	316.386	1.959	50	20	DDGD	
COc1cccc(Cl)c1CC(=O)NNC(=O)[C@@H]1CCCO1	133922339	JFENHLMBKSWPED-LBPRGKRZSA-N	312.753	1.218	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cc2ccccc2[nH]c1=O	191896621	KEHRAAPOEBGGRA-UHFFFAOYSA-N	320.312	1.328	50	20	DDGD	
COCc1nc(C(=O)NNC(=O)NCc2ccco2)cs1	138856525	XLXDHNYPPGWPLB-UHFFFAOYSA-N	310.335	1.027	50	20	DDGD	
CCC[C@H](C(=O)NNC(=O)CNC(=O)c1cccnc1)C(C)C	134891555	SPLWVQYTAZFCSV-ZDUSSCGKSA-N	320.393	1.031	50	20	DDGD	
COc1cc(CNC(=O)NNC(=O)c2ccccc2)ccn1	45128246	BYGMMLPMQKJJNO-UHFFFAOYSA-N	300.318	1.234	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNc1nc2ccccn2n1	191896648	GJCOQMSDFXEQBA-UHFFFAOYSA-N	318.381	1.115	50	20	DDGD	
CC(=O)CCCC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	192898322	FYJSXIGGXSXTSZ-AWEZNQCLSA-N	320.389	1.977	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCc1nc(C2CCCC2)no1	134959710	BLFOUKXGJDMTNO-UHFFFAOYSA-N	323.397	1.790	50	20	DDGD	
CN(C)C(=O)NNC(=O)CCc1ccc(OC(F)F)cc1	194920623	XBWYQJGVEIESPS-UHFFFAOYSA-N	301.293	1.523	50	20	DDGD	
O=C(NCC1CC1)C(=O)NNc1ccc(OC(F)(F)F)cc1	191932252	SOPRHFKFOIPRSM-UHFFFAOYSA-N	317.267	1.555	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@H](C)Cn2ccnc2C)o1	84435399	VURFCFRWBRWBOZ-JTQLQIEISA-N	319.365	1.373	50	20	DDGD	
Cc1sc(=O)n(CC(=O)NNC(=O)OC(C)(C)C)c1C	98035645	MECOWPLEGOTIDH-UHFFFAOYSA-N	301.368	1.083	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNC(=O)C1CCC1)c1cccnc1	267594647	KDAPPSFZCIRUFO-CQSZACIVSA-N	304.394	1.952	50	20	DDGD	
Cc1nn(CC(F)(F)F)cc1C(=O)NNC(=O)CC(C)(C)C	268713205	IOPHKGJCUIFIBG-UHFFFAOYSA-N	320.315	1.951	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)COc1ccccc1OC	269483205	MFDWBCLXHNFBQK-GFCCVEGCSA-N	312.391	1.363	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@@H](C)N(C)C1CC1	264308612	PQVGRHDMTQUMCN-GFCCVEGCSA-N	304.394	1.422	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@H]1CCOc2ccccc21	264676383	WEIWZAOWHDTLRQ-LBPRGKRZSA-N	305.378	1.929	50	20	DDGD	
CC[C@@H](CC(=O)NNc1nc(O)c2cnn(C)c2n1)C(C)C	269285887	CLEFNVKFZTUTMB-VIFPVBQESA-N	306.370	1.584	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)Cc1ccncc1	266997075	YBNFCWLTPJSXNA-ZIAGYGMSSA-N	304.394	1.923	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)CNCC(F)(F)F	265090554	ZQAFJFIDJPIQOX-UHFFFAOYSA-N	317.311	1.309	50	20	DDGD	
C[C@H]1Oc2c(cccc2C(=O)NNC(=O)CC(C)(C)C)NC1=O	264245553	PNRUIJQKCHGJCL-SECBINFHSA-N	319.361	1.603	50	20	DDGD	
COc1ccccc1/C(C)=C/C(=O)NNC(=O)N1CCOCC1	263863220	FKIKLUXVBPIDAM-VAWYXSNFSA-N	319.361	1.172	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	269444306	BCPWIBMLYIOHRB-GFCCVEGCSA-N	310.375	1.360	50	20	DDGD	
CCOC(=O)C[C@H](C)CNC(=O)NNC(=O)c1ccccc1	270509360	WIDVBWWDFOUAMB-NSHDSACASA-N	307.350	1.220	50	20	DDGD	
CCC(C)(C)N[C@H](C)C(=O)NNC(=O)COCc1ccccc1	274657297	DCEWPUUHXANUSM-CYBMUJFWSA-N	321.421	1.517	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc([N+](=O)[O-])c1)c1ncnn1C	276889672	LGSIJATVAUWNHU-QMMMGPOBSA-N	305.298	1.111	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H]2CCO[C@H](C)C2)c1	271860135	DNHVROWLVBMFGC-KGLIPLIRSA-N	320.389	1.645	50	20	DDGD	
CN(C)c1cccc(CCC(=O)NNC(=O)c2cccn2C)c1	276691695	XLSVZIWQFBUZIQ-UHFFFAOYSA-N	314.389	1.485	50	20	DDGD	
C#CCOc1cc(F)ccc1NC(=O)NNC(=O)C1CCC1	272810525	JELGRDLGVHNLCA-UHFFFAOYSA-N	305.309	1.791	50	20	DDGD	
CSSCCNC(=O)N1CCC2(CCN(C)C2=O)CC1	367067463	NETFMLDSLKXFJF-UHFFFAOYSA-N	317.480	1.652	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CN(C)C)cc1OC(C)C	274992324	OBNLISJZFKBNQG-UHFFFAOYSA-N	324.381	1.197	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@H]2C[C@]23CCOC3)cc1	372058862	VVHQERVPWZYIBE-CJNGLKHVSA-N	318.377	1.332	50	20	DDGD	
CCC[C@H](C(=O)NNC(=O)N1CCN(C)CC1)c1ccccc1	278637210	NPUGQLFVPFKABH-HNNXBMFYSA-N	318.421	1.559	50	20	DDGD	
CCC[C@H](NC(=O)c1c(C)nn(CCCl)c1C)C(=O)O	273169013	DFLLFQPYTQTOHN-JTQLQIEISA-N	301.774	1.722	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNc1ccc(C(F)(F)F)nn1	276372147	OPBBDWXAOWUGPN-UHFFFAOYSA-N	314.271	1.521	50	20	DDGD	
O=C(NCCOCC1CC1)NNc1ccc2c(O)nccc2c1	287663818	KVKCDMRCPLLENT-UHFFFAOYSA-N	316.361	1.993	50	20	DDGD	
CO[C@H](C)CCC(=O)NNC(=O)Nc1cc(F)cc(F)c1	283782467	RMLAWASSGVXHCJ-MRVPVSSYSA-N	301.293	1.933	50	20	DDGD	
CC(C)(C)[S@@](=O)CCNC(=O)NNc1ncccc1F	286789229	RXRCUTFYZRCQSB-FQEVSTJZSA-N	302.375	1.394	50	20	DDGD	
Cn1ccnc1[C@@H]1CCN(C(=O)NNC(=O)c2ccccc2)C1	371055273	OMQLLBOFZFHQQZ-CYBMUJFWSA-N	313.361	1.264	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2occ3c2CCOC3)n1	375837791	HTJBUDLQJSDQJO-UHFFFAOYSA-N	304.306	1.216	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@@H]2CCCSC2)n1	288023598	QEOSMOWJKATTDU-JTQLQIEISA-N	311.411	1.563	50	20	DDGD	
CC(=O)NCCCCCC(=O)NNC(=O)Nc1ccccc1	282917202	YCTCMSAOUOUBBL-UHFFFAOYSA-N	306.366	1.536	50	20	DDGD	
CNc1nc(C)cc(C(=O)NNc2nnc(C3CC3)s2)n1	287934508	UCBAOLRFCDTYAF-UHFFFAOYSA-N	305.367	1.313	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@H]2CCCC(F)(F)C2)n1	283739424	DHVMASPBGUKUOZ-SECBINFHSA-N	315.324	1.937	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NNc2ncncc2F)C1	293916887	GSGJFLYBWSVSID-MNOVXSKESA-N	323.372	1.344	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1occ2c1CCC2	803053482	CDLGZMRDSJVIOX-UHFFFAOYSA-N	323.349	1.054	50	20	DDGD	
O=C1CC(C(=O)NNC(=O)c2ccccc2O)(c2ccccc2)C1	809984554	OUBUYLQYXRHRCU-UHFFFAOYSA-N	324.336	1.454	50	20	DDGD	
CC(=O)CCCC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802119031	VQWJELQGWZNITD-UHFFFAOYSA-N	306.366	1.665	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1ccccc1N1CCCC1	292920303	XRQAWQKGNGHIQF-AWEZNQCLSA-N	318.377	1.619	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)/C=C(\C)C(C)(C)C	807370160	WGWDTMKDCNEBHL-ZHACJKMWSA-N	300.399	1.915	50	20	DDGD	
CCc1c(C(=O)NNC(=O)CC(C)C)cnn1-c1ccccn1	298419454	LNDCLDPDHFJITH-UHFFFAOYSA-N	315.377	1.637	50	20	DDGD	
Cc1cccc(C)c1NC(=O)C(=O)NNc1cccc(F)n1	804766633	LHIOXNFKKVUIHS-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1C(=O)NNC(=O)COc1ccc(C#N)cc1	294280427	HJXNJLXFPJLFAX-HIFRSBDPSA-N	315.373	1.911	50	20	DDGD	
C[C@H]1Sc2ccc(C(=O)NNC(=O)N(C)C)cc2NC1=O	299357430	ICUJJUZSJRMKDN-SSDOTTSWSA-N	308.363	1.035	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)[C@H](C)CN2CCOCC2)c1	293818771	CTGNYLHYABMHII-GFCCVEGCSA-N	320.393	1.056	50	20	DDGD	
Cc1ccc(CNC(=O)NNc2ncccc2F)c(=O)n1C	805371116	VFOQMXICIWADJP-UHFFFAOYSA-N	305.313	1.054	50	20	DDGD	
Cn1c(C(=O)NNC(=O)Nc2ccccc2)ccc1[N+](=O)[O-]	801992012	VKVMPFCCFJAHAH-UHFFFAOYSA-N	303.278	1.400	50	20	DDGD	
CCCN(CC)C[C@@H](C)NS(=O)(=O)CBr	810117557	DARMPDJRVCKIAI-SECBINFHSA-N	301.250	1.379	50	20	DDGD	
CN(NC(=O)c1cncc(I)c1)C1CC1	819650494	OPENPINYEMHYIX-UHFFFAOYSA-N	317.130	1.425	50	20	DDGD	
CS(=O)(=O)c1ccc(NNC(=O)[C@@H]2CCCSC2)cc1	810680842	DGVCGBVMBXTZMO-SNVBAGLBSA-N	314.432	1.676	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@@H](CC(C)C)C(=O)O)n1	818627250	HJKOHCCLGQXOAQ-LLVKDONJSA-N	322.365	1.081	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NN=C1CCN(CCO)CC1	819805458	VMOYTDCIUGTXEV-UHFFFAOYSA-N	314.389	1.271	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1nnc2ccccc2n1	817010613	IZUIXOHCGPEBQX-UHFFFAOYSA-N	300.709	1.830	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccccc1N1CCOCC1	819140753	OEMTUHHEQGYWMY-UHFFFAOYSA-N	303.362	1.084	50	20	DDGD	
CCS(=O)(=O)c1ccc(CCC(=O)NN(C)C2CC2)cc1	819650360	IWSHTECNTPSKEY-UHFFFAOYSA-N	310.419	1.538	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CCc1ccccc1C(N)=O	816629036	UZKAEXXLFXZMKC-UHFFFAOYSA-N	303.189	1.980	50	20	DDGD	
Cc1cc(Cl)cc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1	814835131	IMUBSZFHRMJTTF-SECBINFHSA-N	317.798	1.036	50	20	DDGD	
O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCC(Cl)Cl	816604231	CDHNGLMLDAJNQK-RKDXNWHRSA-N	321.204	1.472	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cc1cccnc1)c1cccs1	728798222	GPKWDGVQIKBQCV-SNVBAGLBSA-N	320.443	1.942	50	20	DDGD	
COc1cc(C=NNC(=O)c2cnccn2)cc(Cl)c1OC	818286426	UWRQZQAOGCWOFL-UHFFFAOYSA-N	320.736	1.911	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@H](O)c1ccc(Cl)cc1	813530133	HUVBGEDNGAAOKM-SNVBAGLBSA-N	313.144	1.960	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H](C)[C@@H]1OCCc2sccc21	814632168	BBCYJDGNCVSCSQ-CABZTGNLSA-N	311.407	1.738	50	20	DDGD	
NC(=O)Cc1ccc(CNC(=O)NNc2ccc(F)cc2)cc1	812482030	SVSODEWTKGCWEC-UHFFFAOYSA-N	316.336	1.680	50	20	DDGD	
Cc1cccc([C@H]2CCCN2CC(=O)NNC(=O)C(C)C)n1	828067266	GSZUWLPCAYRFGB-CQSZACIVSA-N	304.394	1.330	50	20	DDGD	
Cn1ccnc1C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	826364154	MRNPDBUJFMMFKS-UHFFFAOYSA-N	318.728	1.011	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cnn(-c2ccc(C)cc2)c1C	495629529	SSBWZHPRPVILET-UHFFFAOYSA-N	302.334	1.832	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H](C(=O)OC(C)(C)C)C1CCCC1	823897412	APCMGNLASLKNQZ-ZDUSSCGKSA-N	314.426	1.480	50	20	DDGD	
Cc1ccc(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)nc1	822233824	VUVOWUSYKMZVFZ-UHFFFAOYSA-N	307.317	1.334	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)/C=C\CN(C)CC(F)(F)F)o1	492873498	YDFIVJJPKACPLB-ARJAWSKDSA-N	319.283	1.399	50	20	DDGD	
CC(=NNC(=O)CCNC(=O)OC(C)(C)C)c1cc(C)on1	496370221	QOHSWUHEHBINEK-UHFFFAOYSA-N	310.354	1.738	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)Cn1nc(C(F)F)cc1C(F)F	822557886	OLTJSCRDNJFBDT-ZCFIWIBFSA-N	312.267	1.102	50	20	DDGD	
Cc1ccc(Cl)c(O[C@H](C)C(=O)NN(C)C[C@@H](C)O)c1	821217973	SLTPFEMAOZTIQY-GHMZBOCLSA-N	300.786	1.760	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(-n2nc(C)cc2C)c(F)c1	495824855	ZTQZVFRKWPJVRL-UHFFFAOYSA-N	320.324	1.971	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@@H](N(C)C)[C@H]1C	820503571	KKPKNUKUODIXIH-DGCLKSJQSA-N	312.845	1.903	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccn(C(F)F)n1	826448697	HLJCGVNLTQOIAX-UHFFFAOYSA-N	320.263	1.215	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=C1CCOc2ccccc21	494725595	JZZWAVKPZHCBES-UHFFFAOYSA-N	319.361	1.814	50	20	DDGD	
COc1ccc(CCCC(=O)N2CC[C@H](B(O)O)C2)c(OC)c1	585067384	WIBBAOYSHSAFSW-ZDUSSCGKSA-N	321.182	1.102	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCN(CCC#N)CC1	827483528	NVSTXJCUHMCZGF-LLVKDONJSA-N	316.243	1.854	50	20	DDGD	
O=C(NC1(C(F)F)CCCCC1)c1cc(B(O)O)ccc1F	584988097	DGLZRMBEWHHBFA-UHFFFAOYSA-N	315.100	1.203	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(Br)c(C)nc1O	495407885	NXAJYASRSCNLBQ-UHFFFAOYSA-N	318.127	1.249	50	20	DDGD	
C[C@@H](C(=O)NN(C)[C@@H](C)CO)c1ccc(Br)s1	823951735	MODOQIAIRSZILA-JGVFFNPUSA-N	321.240	1.958	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)CNC(=O)c2ccco2)C1(C)C	736430815	ITUWWOCLNLLJDU-GFCCVEGCSA-N	307.350	1.317	50	20	DDGD	
CCOC(=O)NCC(=O)NNc1ccc(-c2ccccc2)nn1	493218576	XFQQSJHDMJHAPT-UHFFFAOYSA-N	315.333	1.333	50	20	DDGD	
COc1ccc(CN(C)C)cc1NCc1ccc(B(O)O)cc1	585013173	NVKFNLDUUFGPRY-UHFFFAOYSA-N	314.194	1.049	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1	824776958	FRXBKUMAELXCPF-QWHCGFSZSA-N	316.361	1.397	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccnn1-c1ccccc1C	490696133	NYSPHFRTRPPNQO-KAMYIIQDSA-N	310.357	1.850	50	20	DDGD	
C[C@@H](CC(=O)NNc1nc2ccccc2c(=O)n1C)C1CC1	733262460	ZVPMITHPFPYFGI-JTQLQIEISA-N	300.362	1.813	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNC(=O)[C@@H](CC)c1ccccc1	839677683	UTBDWBZZBAMKPD-UONOGXRCSA-N	320.389	1.917	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1cc(C)c(OC)cc1C(C)C	901824745	CRSPHKUEBUZZJS-UHFFFAOYSA-N	314.407	1.847	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=Cc1ccc(F)cc1F	730586713	OHQPTIIWQJMNQQ-UHFFFAOYSA-N	324.312	1.442	50	20	DDGD	
C[C@]1(C(=O)NCCCNC(=O)C2CCC2)C[C@H]1Br	906907849	SBEIQGLEFYOTAI-MFKMUULPSA-N	317.227	1.583	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(OC(C)C)c1	835228473	UVHPEJJJBIDPKX-LLVKDONJSA-N	321.377	1.606	50	20	DDGD	
CC[C@](C)(C=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1)OC	834935975	YWRFYIDWOXQTRF-TTZDDIAXSA-N	313.442	1.649	50	20	DDGD	
O=C(NCC1(C(=O)O)CCCC1)NNc1ccc(Cl)nn1	833135784	HYANNWCDYDPVAA-UHFFFAOYSA-N	313.745	1.401	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCC2(CCCCC2)C1	584953877	YOGGNLOZVSQWQJ-UHFFFAOYSA-N	305.158	1.302	50	20	DDGD	
C[C@@H]1Cc2cc(CNC(=O)/C(C#N)=C/c3cnn(C)c3)ccc2O1	830830082	YRGRZRXHKDCPPW-DYPRAHPUSA-N	322.368	1.967	50	20	DDGD	
O=S(=O)(CCl)N[C@@H]1CCCN(c2cccc(F)c2)C1	830540135	QHVONZJRFUTSHG-LLVKDONJSA-N	306.790	1.910	50	20	DDGD	
O=C(NCB(O)O)c1ccc(Oc2ccncc2)c(Cl)c1	585061397	RHFMQSXXXKNRIW-UHFFFAOYSA-N	306.514	1.269	50	20	DDGD	
CCOc1cccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	831336832	DBLRTGXWVBVJOL-ZWNOBZJWSA-N	307.350	1.663	50	20	DDGD	
OB(O)[C@H]1CCN(Cc2csc(-c3ccc(F)cc3)n2)C1	585077271	SVGADTZJNGZXBN-NSHDSACASA-N	306.171	1.998	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)N=c1cc[nH]cc1	836242827	PYIWEAZSOFVPFE-DGCLKSJQSA-N	305.382	1.808	50	20	DDGD	
C[C@H](Cc1ccsc1)NC(=O)NNC(=O)c1cnn(C)c1	735509653	FGRURPFCXMZNTO-SECBINFHSA-N	307.379	1.057	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCc1cocn1)c1ccccc1	732246848	VFCXWMMCTFZTHG-ZDUSSCGKSA-N	302.334	1.699	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)c1ccccc1)C(F)(F)F	733338384	BNDVJDWXVZQKTR-VIFPVBQESA-N	305.256	1.208	50	20	DDGD	
OB(O)c1ccc(CNCCCSc2ccccc2)cc1	585015217	STKXBPXJBMOMHM-UHFFFAOYSA-N	301.220	1.638	50	20	DDGD	
CO[C@@H]1CCC[C@H](c2nc(-c3cccc(B(O)O)c3)no2)C1	585052613	RWLHTYSVUANOSE-WCQYABFASA-N	302.139	1.089	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@]1(Cl)C[C@H]2CC[C@H]1O2	906632783	WATLOPJOZIHXKU-DDHOLCJHSA-N	324.764	1.385	50	20	DDGD	
COCCN(C)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1	837625854	CLQUTPQUJVQAAR-UHFFFAOYSA-N	319.321	1.208	50	20	DDGD	
CCN(CC)C(=O)CNC(=O)NNc1cc(F)c(F)cc1F	734663086	HEFLDXMWUMQBMB-UHFFFAOYSA-N	318.299	1.598	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)c1ccc(OC)cc1OC	834956835	ZGBBCWRRQYPOFY-UHFFFAOYSA-N	317.349	1.388	50	20	DDGD	
O=C(COCC1CCCC1)NNC(=O)COc1ccccc1O	836651539	UGDNNFVFOPFWFY-UHFFFAOYSA-N	322.361	1.125	50	20	DDGD	
COC(=O)[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H]2Br)C[C@H]1C	911420689	VUYUWFLNAIBYBC-XBWDGYHZSA-N	304.184	1.427	50	20	DDGD	
C[C@H](NNC(=O)CONC(=O)OC(C)(C)C)C(F)(F)F	912898845	RSQOGGQRLXAPCV-LURJTMIESA-N	301.265	1.014	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@H](C(=O)O)C1)NC1CCCCC1	833149349	NTKZEOCXYNQFFO-MNOVXSKESA-N	311.382	1.541	50	20	DDGD	
CCSCc1ccc(NC(=O)NNC(=O)CN(C)C)cc1	836740827	DMSYKNSHCWIKGQ-UHFFFAOYSA-N	310.423	1.654	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C(C)c1cn(C)nc1C	917533118	CILZAFXMCHMQAB-UHFFFAOYSA-N	316.361	1.656	50	20	DDGD	
CC(=NNC(=O)c1ccccn1)c1ccccc1OCC(=O)O	833384027	ADTVXOLGISSUCZ-UHFFFAOYSA-N	313.313	1.699	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H](C)c2cnn(C)c2)ccc1F	837035707	AJSOFIWAUATPKU-SECBINFHSA-N	320.324	1.593	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)O)[nH]1)Nc1ccc(C(=O)O)cc1	749814070	IVMCULLZEWOWTD-UHFFFAOYSA-N	316.273	1.567	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccnc3ccccc23)n1	740107410	GFXPSDCBVSGLTO-UHFFFAOYSA-N	308.345	1.848	50	20	DDGD	
CC1(O)CCC(NC(=O)NNC(=O)c2ccccc2F)CC1	749594605	ICXBNKZJHNCHMO-UHFFFAOYSA-N	309.341	1.463	50	20	DDGD	
CCCCNC(=O)NNC(=O)C[C@@H](C)N1CCc2ccccc21	847391944	IZYWMEDXSKBWQQ-CYBMUJFWSA-N	318.421	1.958	50	20	DDGD	
O=C(NNc1ccccc1OC(F)(F)F)[C@]1(O)CCOC1	840426014	HWKCZTPISHSEPF-NSHDSACASA-N	306.240	1.180	50	20	DDGD	
C[C@H](O)CC(C)(C)CNC(=O)NNC(=O)c1cccc(C#N)c1	743589358	IVPVSWJUESOLMD-NSHDSACASA-N	318.377	1.299	50	20	DDGD	
CC(=NNC(=O)c1ccc(N)cc1)c1ccc(-n2cnnn2)cc1	918707980	STBNSVSGGZRMDH-UHFFFAOYSA-N	321.344	1.399	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cccc(C(F)(F)F)c1O	848143513	CNXGZUVNXRWYGL-UHFFFAOYSA-N	302.252	1.972	50	20	DDGD	
C[C@H]1CC[C@H](C)N1CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	746090612	GTYIPRCKPWROOV-QWRGUYRKSA-N	320.349	1.229	50	20	DDGD	
CCCCc1ccc(NC(=S)NNC(=O)CNC(C)=O)cc1	913506274	GXLJLLUIVGFNLG-UHFFFAOYSA-N	322.434	1.483	50	20	DDGD	
Cc1ccc(O[C@@H](C)C(=O)NNC(=O)CC(F)(F)F)cc1	918364810	USHADTHRUYAYMK-VIFPVBQESA-N	304.268	1.862	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC[C@@H]2CCCNC2)c(F)c1	841924426	YZTFZUPRZKGNBD-SNVBAGLBSA-N	324.356	1.238	50	20	DDGD	
Cn1ccnc1[C@H](CC(=O)NNc1ccccn1)C(F)(F)F	847668212	MIYHMKCQNFLCCF-VIFPVBQESA-N	313.283	1.994	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NC1CCN(CC2CC2)CC1	918081195	ZYWLDDMPJYNPJK-UHFFFAOYSA-N	322.331	1.144	50	20	DDGD	
O=C(NN=Cc1ccc(O)c(O)c1O)c1ccc(Cl)nc1	915973090	DCNHWXPKHCRGQX-UHFFFAOYSA-N	307.693	1.616	50	20	DDGD	
CC(=NNC(=O)c1sc(N)nc1C)c1cnc(C)nc1C	741458539	NVHFXWDWHIKCBU-UHFFFAOYSA-N	304.379	1.595	50	20	DDGD	
CCn1ncc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2)n1	840734100	XPHQLWYYWFYVGS-MDWZMJQESA-N	311.345	1.530	50	20	DDGD	
Cc1nc(C(C)(C)C)nc(O)c1C(=O)NNC(=O)NCC1CC1	747367589	UIACBUGEPSIYRC-UHFFFAOYSA-N	321.381	1.142	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)[C@H]1CCc2ccccc2C1	844553248	RFOGIQFBXSTGEK-LSDHHAIUSA-N	302.374	1.508	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)[C@@H]2CCO[C@@H]2C)cc1OC	842556065	QGGIFOLEDHQFOP-DGCLKSJQSA-N	306.362	1.969	50	20	DDGD	
CCCN(CCC)CCCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843975200	QHKGGDIWRMPXQF-KGLIPLIRSA-N	313.442	1.461	50	20	DDGD	
C[C@@H]1COC[C@@H]1NC(=O)NNC(=O)c1cc2ccccc2o1	926009731	KUYHAYNATIQYTO-KOLCDFICSA-N	303.318	1.412	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc(C(F)F)nc1	847643433	AQXALYRHZIDAMN-UHFFFAOYSA-N	320.390	1.491	50	20	DDGD	
CCOc1cccc(NC(=S)NNC(=O)[C@@H]2CCCCO2)c1	840775509	QAMWNQHHSDJKQT-ZDUSSCGKSA-N	323.418	1.972	50	20	DDGD	
CCc1ncc(C(=O)NNc2ccc(C(=O)OC)cn2)s1	759740125	UEFBTEBFOSTWIB-UHFFFAOYSA-N	306.347	1.644	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cccc2c1OCO2)C1CC1	855102771	MVQZYXHSCOOVPZ-QMMMGPOBSA-N	307.375	1.323	50	20	DDGD	
CC[C@H](C)CCNC(=O)NNC(=O)COCc1ccccc1	852132265	NPXWRUIBEHTSET-ZDUSSCGKSA-N	307.394	1.970	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)COc1ccccc1O)C1CCC1	756095949	FYHYMIHMFZTRTO-JTQLQIEISA-N	307.350	1.290	50	20	DDGD	
O=C(NNC(=O)c1cccn1Cc1ccncc1)c1cccnc1	751281190	OLDIYKNPPJAFLE-UHFFFAOYSA-N	321.340	1.401	50	20	DDGD	
O=C(NCCO[C@H]1CCOC1)NNc1c(F)cccc1F	927516960	HTEPVTYHJRMKAN-VIFPVBQESA-N	301.293	1.396	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)COc2ccccc2F)[C@@H]1C	858129285	GXOMAXRPXPJCFW-RSQPEXBXSA-N	324.352	1.411	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)c2ncc[nH]2)cc1OC	854236924	QCRCIGSLUAGGAN-UHFFFAOYSA-N	318.333	1.282	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)Cc2ccon2)C[C@@H]1Br	856755525	VQRJSVPIOCTDHI-IUCAKERBSA-N	309.185	1.268	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NNc1cc(F)ccc1C	853934147	PIBZYTFFTZCNMO-NEPJUHHUSA-N	308.357	1.675	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2	754863234	RFNGATQXCLQIGE-YUTCNCBUSA-N	309.410	1.711	50	20	DDGD	
C/C(=C/c1ccccc1)CN(C)CC(=O)NNC(=O)C1CC1	755194068	JCMRECSEFJLPJS-RAXLEYEMSA-N	301.390	1.579	50	20	DDGD	
CC(=O)N1CCC(=NNC(=O)[C@H]2CCO[C@H]2C)c2ccccc21	857211002	KSVFOQGJXJKOTI-AAEUAGOBSA-N	315.373	1.689	50	20	DDGD	
O=C(CNC(=O)Nc1cccc(Cl)c1)NNc1cnccn1	857488719	KPQQDHWHVADFEZ-UHFFFAOYSA-N	320.740	1.395	50	20	DDGD	
CNc1ccc(Cl)c(C(=O)NNC(=O)N2CCOCC2)c1	858906257	SJFJTXNCRGRJPT-UHFFFAOYSA-N	312.757	1.068	50	20	DDGD	
Cn1c(=NNC(=O)NC[C@@H]2CCCCO2)sc2ccccc21	920344476	UFCSXVQBVPBAEY-NSHDSACASA-N	320.418	1.924	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@]1(c2ccccc2)CNC(=O)C1	854159979	DHVMPQOIBXHXGA-MRXNPFEDSA-N	319.361	1.000	50	20	DDGD	
C=C(C)[C@@H](CC(=O)NNC(=O)c1ccc2c(c1)OCO2)OCC	755392376	HIHFXABSRFXGBJ-CYBMUJFWSA-N	320.345	1.548	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cc2c(cc1O)OCO2	920368040	SNMOJWXDEWBCEE-UHFFFAOYSA-N	307.350	1.303	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccc(Cl)n1)N1CCCCCC1	857326218	TVQJHTAAISUSQZ-LLVKDONJSA-N	324.812	1.761	50	20	DDGD	
CN1CCC(ONC(=O)/C(C#N)=C\c2ccc(F)cc2)CC1	854357208	VLGMTMHLLUQULX-RAXLEYEMSA-N	303.337	1.875	50	20	DDGD	
CC(C)COCCCNC(=O)NNc1ncc(Cl)cn1	856833360	MPGIJUNSJNNAQQ-UHFFFAOYSA-N	301.778	1.819	50	20	DDGD	
CCOc1ccccc1C(F)(F)C(=O)NN(C)C(=S)NC	854922643	DYKWTLLCHUCHJL-UHFFFAOYSA-N	317.361	1.644	50	20	DDGD	
C[C@H](O)CN1CCN(C[C@H](CBr)C2CC2)[C@@H](C)C1	859263468	ZZROVEJYBRRSAB-OBJOEFQTSA-N	319.287	1.794	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccccc1OC(F)(F)F	755564359	GTIVKWVHBWIAPS-UHFFFAOYSA-N	307.228	1.384	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H]2CCCN2CC(F)F)nn1	858746519	BJQSJYMLJLSPKA-SNVBAGLBSA-N	314.340	1.141	50	20	DDGD	
CCCN(C)C[C@H]1CCN(C(=O)NNC(=O)C2CCCC2)C1	753339329	JKLZPUYYZUMTJL-CYBMUJFWSA-N	310.442	1.581	50	20	DDGD	
CC(=O)N[C@H](CC1CCC1)C(=O)NNc1ccnc(Cl)c1	855465826	CUYJCYVXGOTLFI-GFCCVEGCSA-N	310.785	1.873	50	20	DDGD	
C[C@H]1CN(C(=O)NC[C@]2(C)C[C@@H]2Br)C[C@@H](C)N1C	856897958	USZNOXMAYHYKMC-NOHGZBONSA-N	318.259	1.894	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NN=Cc1cnc2ncccn12	755523652	BYFIKCJQEYKLTE-UHFFFAOYSA-N	319.328	1.229	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cccc(F)n2)ccn1C(C)C	856426777	HXWMOVVOAVKWPP-UHFFFAOYSA-N	304.325	1.986	50	20	DDGD	
CCc1noc(COCC(=O)NNc2ccccc2Cl)n1	935021515	DVDVMWGYYAXJOL-UHFFFAOYSA-N	310.741	1.945	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNc1ccc(Cl)cn1	856095531	OTZGMXJUANOOOW-LLVKDONJSA-N	310.785	1.969	50	20	DDGD	
O=C(NNc1ncccc1F)c1cccc(-c2nc(=O)o[nH]2)c1	857503928	RZXRZBWNGMHSBA-UHFFFAOYSA-N	315.264	1.321	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNC(=O)Nc1ccc(Cl)cc1	868119227	MINIOQUZEDSXSI-LLVKDONJSA-N	312.757	1.407	50	20	DDGD	
Cc1ccc2c(c1)OCCCC2=NNC(=O)C(=O)N1CCCC1	763169619	WXXUNOCWTVZMRX-UHFFFAOYSA-N	315.373	1.610	50	20	DDGD	
CC[C@](C)(NC(=O)NNC(=O)[C@H]1CCCCO1)C(F)(F)F	933521369	ZECHACUDCOQJAZ-KCJUWKMLSA-N	311.304	1.617	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cccc(C)c1)C[C@@H]1CCOC1	764196156	AKKMQRFLLLJNNT-AWEZNQCLSA-N	319.405	1.114	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@@H]1CCCC[C@@H]1N1CCOCC1	763105190	DHXOBIYJAGFKPJ-REYDALDMSA-N	307.394	1.190	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)Nc2ccccc2C)nn1	766557201	YWNPNBRPZKEBFE-UHFFFAOYSA-N	302.338	1.463	50	20	DDGD	
CC(C)O[C@H]1CC(=NNC(=O)C(=O)Nc2ccccn2)C1(C)C	764907794	CFGFNWIIQZZBEB-LBPRGKRZSA-N	318.377	1.716	50	20	DDGD	
O=S(=O)(CCl)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1	867570948	BLJXUJJSFLVAJF-MNOVXSKESA-N	311.737	1.911	50	20	DDGD	
CCOC(=O)NNC(=O)c1c(C(F)F)nc2n1CCCC2	864429943	HONDZFZWASLWMD-UHFFFAOYSA-N	302.281	1.548	50	20	DDGD	
CN(C)CCn1cc(C(=O)NNc2ccc(F)cc2F)cn1	866871655	RPXHCYPATDXCSA-UHFFFAOYSA-N	309.320	1.480	50	20	DDGD	
N#CC1=CCN(C(=O)C2(S(=O)(=O)c3ccccc3)CC2)CC1	760003153	HIIBTMRXHZXHHN-UHFFFAOYSA-N	316.382	1.675	50	20	DDGD	
C[C@H]1CN(c2ccc(C(=O)NNC(=O)C3CC3)cc2)C[C@H](C)O1	864443759	IHHRHPHTTGUAHL-RYUDHWBXSA-N	317.389	1.471	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C)CCc1ccc(F)cc1	864601330	QMIDJPPCAOFVTN-NSHDSACASA-N	323.368	1.066	50	20	DDGD	
CC(C)Sc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1	862452725	NKHPTOCNFQEWAR-LBPRGKRZSA-N	321.402	1.227	50	20	DDGD	
C[C@H](NNC(=O)CNC(=O)NC1CCCCC1)C(F)(F)F	862310253	SPNUXJWEADJYQG-QMMMGPOBSA-N	310.320	1.190	50	20	DDGD	
COc1nccnc1NNC(=O)C[C@H](C)C(=O)c1ccccc1	764482559	WZYUMDANMUQUDB-NSHDSACASA-N	314.345	1.837	50	20	DDGD	
COc1nccnc1NNC(=O)c1cnc([C@H]2CCCO2)s1	764482279	REJQWYIQDKYHGC-MRVPVSSYSA-N	321.362	1.550	50	20	DDGD	
COc1cc(CNC(=O)NN=c2cc[nH]c(C)c2)ccc1C	875141385	ORSYMJPWVFMGJF-UHFFFAOYSA-N	300.362	1.955	50	20	DDGD	
CN(C)N(C(=O)[C@@H](F)c1ccccc1)[C@@H]1CCS(=O)(=O)C1	769430842	HVQNSCYHZGQSAS-OLZOCXBDSA-N	314.382	1.190	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](C)CC(=O)OC(C)(C)C)nn1	1116014539	BQQFOMNJMJEPRV-JTQLQIEISA-N	309.370	1.531	50	20	DDGD	
C[C@]1(CNC(=O)C23CCCN2CCC3)C[C@H]1Br	1118787620	FGPQJSKBUJDPAK-ZYHUDNBSSA-N	301.228	1.905	50	20	DDGD	
C[C@@]1(CNC(=O)N2CCC[C@@H](C(=O)O)C2)C[C@@H]1Br	874407952	JDWYDPJRMDEQQS-PTRXPTGYSA-N	319.199	1.666	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)C[C@H]1CN	877162934	BZBNIUNWUDTNAC-CYRBOEJBSA-N	315.255	1.993	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccnn1-c1ccccc1C	872399794	DERVQWHZJUWXMX-UHFFFAOYSA-N	316.361	1.294	50	20	DDGD	
COC(=O)C(=O)NNC(=O)NC1CCC(c2ccccc2)CC1	1116181681	FGZGRHVQYYUBEI-UHFFFAOYSA-N	319.361	1.216	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)Cc2ccncc2)c(F)c1	776979612	VSWBJGOXFAWAIG-UHFFFAOYSA-N	315.304	1.427	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(Cl)nc1C	772212504	PUSJWGSFBFTVOP-QMMMGPOBSA-N	313.741	1.146	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCc2cc(OC)ccc21	872354585	DNJOGDSKQUXBSU-LLVKDONJSA-N	306.362	1.513	50	20	DDGD	
Cc1cccc(CO[C@H](C)C(=O)NNc2nccn(C)c2=O)c1	879073799	XGEDLUXSNSHERF-GFCCVEGCSA-N	316.361	1.137	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C(C)(C)OC(C)=O)c1	874949869	HGEPKJJTJJFUQK-UHFFFAOYSA-N	319.386	1.327	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)NCc1cccnn1	775040081	PMJOOJBHFYUYSI-UHFFFAOYSA-N	324.344	1.031	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@H]2CCN(C(C)(C)C)C2=O)n1	875686056	NRSCGKKPFCVRJX-NSHDSACASA-N	305.382	1.416	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H](Cc1ccccc1)N(C)C	875001787	MBBUHZIZDYDDHJ-CYBMUJFWSA-N	308.382	1.072	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H](C)CN1CCOCC1	772889279	LPWFAKFTLQNPHI-GFCCVEGCSA-N	307.398	1.011	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NOC1CCOCC1	775247458	IRYACQWMNLPKLA-UHFFFAOYSA-N	301.774	1.579	50	20	DDGD	
Cc1ncsc1/C=C/C(=O)NNC(=S)NCC1CCC1	776975060	CJHMVTYHBRPSNT-AATRIKPKSA-N	310.448	1.760	50	20	DDGD	
CCc1c(C(=O)NNC(=O)NC)cnn1-c1ccc(Cl)cc1	771265567	KURLLNYJNOBCSW-UHFFFAOYSA-N	321.768	1.662	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1COc2cc(C)c(C)cc21	887146795	LFPCUGCLPALYKO-AWEZNQCLSA-N	300.358	1.730	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(Cc1cccnc1)C1CC1	772238664	POYTTYHKKWRRJG-ZDUSSCGKSA-N	318.421	1.628	50	20	DDGD	
C=CCOc1cccnc1C(=O)NNC(=O)NC1CCCCC1	775521580	SWLMNAUKPCGNKB-UHFFFAOYSA-N	318.377	1.923	50	20	DDGD	
C[C@H]1c2ccccc2CCN1C(=O)NNC(=O)c1cccnn1	883849610	FYWUJSMZKZZNON-NSHDSACASA-N	311.345	1.450	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNc1cc(C#N)cc(Cl)n1	787196596	VMMYCFKYWVBDPD-UHFFFAOYSA-N	304.741	1.632	50	20	DDGD	
CCOCCC=NNC(=O)c1csc(N2CCOCC2)n1	788420563	XJHVLYNHNCPXMF-UHFFFAOYSA-N	312.395	1.122	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)C2CCOCC2)c1F	883070096	FTGZMFCQVJLXBB-UHFFFAOYSA-N	324.352	1.341	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@@H]1c1ccsc1)c1cccnn1	883849735	IWVBFSYXNYGHRP-GFCCVEGCSA-N	317.374	1.730	50	20	DDGD	
COc1cccc(NNC(=O)CNC(=O)Nc2ccccc2)n1	781027420	QULKZNIIQSXUQQ-UHFFFAOYSA-N	315.333	1.355	50	20	DDGD	
COc1cc(C(C)=NNC(=O)c2ccc3c(c2)OCO3)ccn1	782114713	RSBLEVPDKOBVDG-UHFFFAOYSA-N	313.313	1.973	50	20	DDGD	
Cc1nc(C(C)C)ncc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	880405772	OMSLYNCMNSVZLJ-MNOVXSKESA-N	306.366	1.094	50	20	DDGD	
O=C(CSC[C@H]1CCCCO1)NNc1ncncc1Cl	781826722	ZNDAHUNGRMAAFR-SECBINFHSA-N	316.814	1.875	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OC[C@H]1CCS(=O)(=O)C1	788947830	AEOMAZIAQZGXQR-GKWYLQRDSA-N	321.354	1.277	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@@H](C)c1cncc(F)c1	783006303	PBJSIJIVCBNQCX-WDEREUQCSA-N	310.373	1.453	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccnn1	882060010	NIXZUKZHEWCTCN-IUCAKERBSA-N	316.283	1.606	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2)c1ccccc1	1121948673	UFQPKYNAZSHRPY-BFHYXJOUSA-N	317.389	1.615	50	20	DDGD	
CC(CCCOc1ccccc1C(N)=O)=NNC(=O)C(C)(C)O	785463949	YBSHFNOPAOKKJJ-UHFFFAOYSA-N	321.377	1.208	50	20	DDGD	
CC(=O)N/C(=C/c1ccccc1)C(=O)NNc1ccnc(F)c1	781363092	RJWCMFZNGWOVSP-NTEUORMPSA-N	314.320	1.841	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@H](C)NC(=O)C(C)(C)C	788184331	JXTYLCHTXLLFMR-VIFPVBQESA-N	311.357	1.828	50	20	DDGD	
Cc1cccnc1NNC(=O)Cn1ccc2ccccc2c1=O	790966942	YNECWPOUMFEHMJ-UHFFFAOYSA-N	308.341	1.848	50	20	DDGD	
O=C(CCCn1ccnc1)NNc1cccc(F)c1[N+](=O)[O-]	791076220	NUXUWJDUSUFGNV-UHFFFAOYSA-N	307.285	1.854	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cc(C#N)oc2C)cc1	797791264	BHVGYISQFWRTJO-UHFFFAOYSA-N	313.313	1.608	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NC[C@@H]2CCSC2)c1	790508797	AXHLNEIEMVFPPB-NSHDSACASA-N	304.375	1.255	50	20	DDGD	
Cc1cccnc1NNC(=O)c1nc(-c2cnn(C)c2)oc1C	791224178	BPYGHXGUOUOUEY-UHFFFAOYSA-N	312.333	1.844	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1cccc(F)c1[N+](=O)[O-])C(C)C	790593961	BGXAZAXHSJGTMH-NSHDSACASA-N	312.301	1.338	50	20	DDGD	
CC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)c1ccnc(O)c1	790288935	YFHJBCJRVUBFLA-UHFFFAOYSA-N	315.289	1.432	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1ccc(CC(F)(F)F)cc1	790385548	HXRAEBWDMCSKCC-UHFFFAOYSA-N	310.297	1.511	50	20	DDGD	
CC(C)[C@@H](F)C(=O)NNc1ccccc1S(=O)(=O)N(C)C	795167953	CHRMNGHDLKJVKF-GFCCVEGCSA-N	317.386	1.374	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNc1nc(O)c2ccccc2n1	1319607916	ZWMMHVVGBAQHNR-UHFFFAOYSA-N	312.333	1.443	50	20	DDGD	
COC(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)nn1C	1325554858	NSBZGIHAMIBRNT-UHFFFAOYSA-N	308.725	1.741	50	20	DDGD	
Cc1nscc1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1323611975	HJSJZENQGMWBFY-UHFFFAOYSA-N	305.363	1.128	50	20	DDGD	
CC(C)c1nc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)cs1	1321898818	OZVAJBQEYFKWOK-VIFPVBQESA-N	315.420	1.151	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)c1ccc2nonc2c1	1324567172	NPPZJLPUVJDJIC-UHFFFAOYSA-N	316.704	1.951	50	20	DDGD	
COc1nc(Cl)c(C=NNC(=O)[C@H]2CCCCO2)n1C	1324609812	DINYQWKUYGMYOZ-SECBINFHSA-N	300.746	1.101	50	20	DDGD	
O=C(NNc1cncc(Br)c1)[C@H]1C[C@]12CCOC2	1320357822	IKSAXSQWDZVFGW-PWSUYJOCSA-N	312.167	1.714	50	20	DDGD	
COc1ccccc1C(=O)C(=O)NNc1nncc(N)c1Cl	1320182512	GVIGJZYAEDPSBK-UHFFFAOYSA-N	321.724	1.047	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=O)c2ccc(C#N)cc2)c1C	1335742359	VVJGFSWQJLLAIK-UHFFFAOYSA-N	311.345	1.548	50	20	DDGD	
Cc1ncc(Br)c(C(=O)NNc2ccccn2)n1	1338497595	CGQXUSASCCMTBK-UHFFFAOYSA-N	308.139	1.699	50	20	DDGD	
Cc1cccc(CO[C@H](C)C(=O)NNC(=S)NC(C)C)c1	1331902268	SFZVEZYAGLULSA-GFCCVEGCSA-N	309.435	1.804	50	20	DDGD	
C[C@]1(C(=O)N[C@@H](CO)CC(F)(F)F)C[C@H]1Br	1332067070	BBFPCDHKJTVDIS-JKMUOGBPSA-N	304.106	1.589	50	20	DDGD	
NC(=O)COC1CCN(C(=O)c2cccc(CCl)c2)CC1	1346868983	IHJDHORCRSEVDV-UHFFFAOYSA-N	310.781	1.532	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ncoc2C2CC2)cc1	1343870454	DXIRHXILAZMXJH-UHFFFAOYSA-N	301.302	1.635	50	20	DDGD	
CN(C)c1ccc(F)cc1NC(=O)NNC(=O)C1CCNCC1	1352178744	PDFMUBRLBIZFKY-UHFFFAOYSA-N	323.372	1.044	50	20	DDGD	
COc1cc(F)c(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(F)c1	1521452348	JNBNYMOPSLTGDS-APPZFPTMSA-N	314.288	1.159	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)[C@H](C(=O)O)C1CCCC1	1605360184	KNRRAVICABCEDK-LLVKDONJSA-N	305.334	1.042	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CCc3n[nH]cc3C2)cc1C(=O)O	1607810115	QQDQZHBKUWGCSH-SNVBAGLBSA-N	314.345	1.665	50	20	DDGD	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNc1cc(Cl)nc2ncccc12	1605022917	DGMGEQMDZFFKPO-UOWDBTKRSA-N	320.736	1.837	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)c(F)c1)c1ccc(Cl)nn1	1608481397	ODQHEBWLKJNREE-UHFFFAOYSA-N	310.672	1.724	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)C[C@H]2CCCC[C@@H]2O)cc1	1608781308	WVIDFWXYVFALCZ-OCCSQVGLSA-N	306.362	1.698	50	20	DDGD	
O=C(NC[C@H]1CCCCN1)NNc1ccc(F)c(C(=O)O)c1	1608435470	KPNJXSCHKSIZBA-SNVBAGLBSA-N	310.329	1.292	50	20	DDGD	
O=C(O)C12CC(C(=O)NNc3cc(F)cc(F)c3F)(C1)C2	1601728690	MVHYVXNRQVWKPI-UHFFFAOYSA-N	300.236	1.802	50	20	DDGD	
CC[C@@H]1CCC1=NNC(=O)COc1ccccc1-c1nn[nH]n1	1609199932	JHPYJYQANBRWJD-SNVBAGLBSA-N	314.349	1.538	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNC(=O)c2ccccc2Cl)nc1	1602323413	IFXXJDKJRRGEPR-UHFFFAOYSA-N	319.704	1.508	50	20	DDGD	
Cc1ncc2n1CC[C@@H](C(=O)NNc1ccccc1C(=O)O)C2	1600748896	FXTAFBXJCAKNNT-LLVKDONJSA-N	314.345	1.595	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)C[C@@H]1CCCCO1	1607140720	YULXLTMXFVDWGK-NSHDSACASA-N	308.334	1.796	50	20	DDGD	
C[C@](O)(Cc1ccccc1)C(=O)NNc1cccc(C(=O)O)c1	1609787209	ACPTWEXYCJUJBS-KRWDZBQOSA-N	314.341	1.822	50	20	DDGD	
O=C(NCCC[C@H]1CCCN1)NNc1cccc(C(=O)O)c1F	1601495596	HFOFAUAZNBXKRZ-SNVBAGLBSA-N	324.356	1.682	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CC[C@@]3(C(=O)O)CCC[C@@H]23)cn1	1600944498	AMROYXDNYNGGRM-DKJWJZGOSA-N	314.345	1.183	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNc2ncccc2C(=O)O)c1	1605345352	RQSZPVLRWNPSGR-NSHDSACASA-N	315.329	1.999	50	20	DDGD	
Cc1nocc1CNC(=O)NNc1ccc(F)c(C(=O)O)c1	1600817072	YUQDNPWXAQPVFL-UHFFFAOYSA-N	308.269	1.647	50	20	DDGD	
Cc1nccn1CCNC(=O)NNc1ccc(C(=O)O)c(F)c1	1610565818	UXHGNGVVORLFSD-UHFFFAOYSA-N	321.312	1.355	50	20	DDGD	
CC(COC(C)C)=NNC(=O)[C@H]1CCCO[C@H]1c1ccnn1C	1549321077	ROJPWMAIUGWYNB-DZGCQCFKSA-N	322.409	1.805	50	20	DDGD	
O=C(O)c1coc(C(=O)NNc2nccnc2C2CCC2)c1	1610867324	YUESKVMVCJUNSP-UHFFFAOYSA-N	302.290	1.792	50	20	DDGD	
O=C(NNc1cc(Br)ccc1F)[C@@H]1CCNC1	1574333638	FZGYXFRGGDNURD-SSDOTTSWSA-N	302.147	1.641	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H](N)Cc1ccc2cc[nH]c2c1	1575231502	RABOTVQVQFHBST-LBPRGKRZSA-N	318.377	1.594	50	20	DDGD	
O=C(Oc1ccc([N+](=O)[O-])c2ncccc12)[C@H](F)[C@@H]1CCNC1	1580805853	YTSFZFAPDDNWOR-NOZJJQNGSA-N	319.292	1.996	50	20	DDGD	
C[C@H](C(=O)O)c1ccc(NC(=O)NNc2ccncn2)cc1	1589511610	DMYRKYCYIUGNBE-VIFPVBQESA-N	301.306	1.813	50	20	DDGD	
COc1cc(C)cnc1C(=O)NNc1ccc(F)c(C(=O)O)c1	1599394842	BQBBAWWZIWJNNM-UHFFFAOYSA-N	319.292	1.993	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1cc(C(C)=O)c[nH]1	1599375813	BRARQGFMGMSWEO-UHFFFAOYSA-N	317.301	1.681	50	20	DDGD	
CN(NC(=O)c1cc(Br)cc(C(=O)O)c1)C1CC1	1598540932	GXBHXCJQKBVSOS-UHFFFAOYSA-N	313.151	1.886	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H]2CC[C@H]2C(=O)O)cc1	1590481565	IFPYCVKGVMUNAJ-QWHCGFSZSA-N	318.373	1.856	50	20	DDGD	
O=C(Cc1ccccn1)NN=C1CCc2cccc(C(=O)O)c21	1776043443	PEWXZUMSBQIQMM-UHFFFAOYSA-N	309.325	1.789	50	20	DDGD	
CC(=NNC(=O)c1cccc(C(=O)O)c1)c1cc(CO)on1	1776095501	CAOZEWVEHWHJHU-UHFFFAOYSA-N	303.274	1.019	50	20	DDGD	
Cn1nc(C(=O)O)cc1C=NNC(=O)c1ccc(O)c(Cl)c1	1776044532	VCGRGBLJIXOBFO-UHFFFAOYSA-N	322.708	1.241	50	20	DDGD	
COCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl	1796804325	QITZBPMMEWYQKB-WYFGTUCQSA-N	306.765	1.196	50	20	DDGD	
O=C([C@@H](F)Cl)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(F)CC1)C2	1796810712	YECLBDMBUVYPQG-UTINFBMNSA-N	306.740	1.661	50	20	DDGD	
CCOc1ccccc1OCCCC(=O)NNC(=O)C1CC1	14800553	AKOAWHKUOYXQHK-UHFFFAOYSA-N	306.362	1.802	50	20	DDGD	
O=C(CCC(=O)NC1CCCC1)NNc1ccc([N+](=O)[O-])cc1	161046733	IHPWMSCXTJJSOV-UHFFFAOYSA-N	320.349	1.877	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2c(C(C)C)nn(C)c2Cl)[nH]n1	151228841	FZFNFRSKOUUIIA-UHFFFAOYSA-N	324.772	1.303	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(C)[nH]c1=O	156192146	WJRIPFBWFAIDEE-UHFFFAOYSA-N	304.258	1.819	50	20	DDGD	
O=C(CSc1ccc(F)cc1)NNc1ncnc2nc[nH]c12	156266126	LNFOADGPFMMADL-UHFFFAOYSA-N	318.337	1.727	50	20	DDGD	
COc1ccc(NNC(=O)CCc2nc(C(C)C)no2)nc1	159370533	FUTUBVVESFSSLE-UHFFFAOYSA-N	305.338	1.673	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cn(C)c3ccccc23)cnn1C	10125563	AVJOIKMINLDMAU-UHFFFAOYSA-N	311.345	1.295	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Cc1cccc2cccnc12	103456823	ILLNBHFENZYECB-UHFFFAOYSA-N	320.352	1.562	50	20	DDGD	
COc1csc(C(=O)NNC(=O)Cn2nc(C)cc2C)c1	176417313	WREMUTQAVAZMQO-UHFFFAOYSA-N	308.363	1.031	50	20	DDGD	
CC(C)N1CCC[C@H](CNC(=O)NNC(=O)c2ccc[nH]2)C1	105275977	GNEJIWWNQVRTGU-GFCCVEGCSA-N	307.398	1.079	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@](C)(C(N)=O)c1cccc(Cl)c1	178971120	JSQGMEBNPQJWQR-BOLDSZDNSA-N	321.764	1.601	50	20	DDGD	
CCn1c(C)cc(C(=O)NNC(=O)NCc2ccco2)c1C	65176716	KYFNPAVNIMYIJE-UHFFFAOYSA-N	304.350	1.862	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCc2cccc3cccnc23)cn1	172225773	ZIQKQOIAYCUNGI-UHFFFAOYSA-N	324.344	1.113	50	20	DDGD	
CC[C@@H](OC1CCCC1)C(=O)NNC(=O)NCC(F)(F)F	113460689	VBESYKMCFJYVFX-SECBINFHSA-N	311.304	1.617	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(c2nc(C)cs2)CC1	178955819	SGSLLXCWPXQOBS-FMIVXFBMSA-N	306.391	1.544	50	20	DDGD	
CCOc1ncccc1C(=O)NNC(=O)Cc1ccccc1F	66775662	UFZZPHFFXYVXLD-UHFFFAOYSA-N	317.320	1.623	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCc2ccco2)c(C)c1	65177376	RJSMPOVWXWPNMJ-UHFFFAOYSA-N	317.345	1.806	50	20	DDGD	
O=C(NNC(=O)c1cccc2c1OCCO2)NC1CCCC1	65919218	NHPJZMJNOUXMPQ-UHFFFAOYSA-N	305.334	1.344	50	20	DDGD	
C[C@H](Oc1cccnc1)C(=O)NNC(=O)c1ccc(Cl)nc1	117758150	PMEWIMPFEXKGOV-VIFPVBQESA-N	320.736	1.359	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1csc(C(C)C)n1	170670159	GQFKUTQFGIQFBP-UHFFFAOYSA-N	300.384	1.247	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1ccc2nnc(C(F)F)n2c1	1340314989	LJRDIRRIKOOYAZ-UHFFFAOYSA-N	320.259	1.070	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2C[C@H]2c2ccncc2)nc1	1346486666	NBRKYRYFNAOLAK-QWHCGFSZSA-N	312.329	1.510	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccncc1)[C@@H]1C[C@@H]2CC[C@@H]1C2	176132835	PEYZGOLDAJGZRW-NGFQHRJXSA-N	316.405	1.779	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1ccc2nccn2c1	171169742	OJDVNYRVINQQKG-UHFFFAOYSA-N	308.341	1.728	50	20	DDGD	
Cc1ocnc1C(=O)NNC(=O)c1cc(Br)c[nH]1	129138098	KBSMXXJRJXKXAF-UHFFFAOYSA-N	313.111	1.148	50	20	DDGD	
CO[C@]1(C)C[C@@H](NC(=O)NNc2nc3ccccn3n2)C1(C)C	189394788	UXGRGHPXUJEQHH-MEBBXXQBSA-N	318.381	1.559	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(F)cc1Cl	124729425	VQZSPTWJLYFHMW-SSDOTTSWSA-N	315.732	1.611	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1c(O)cccc1O	125596344	LHVCNQUSMKGYGS-UHFFFAOYSA-N	304.277	1.241	50	20	DDGD	
COc1ccc2c(c1)C[C@@H](C(=O)NNC(=O)C(C)(C)C)CO2	127274276	AGHWCMPUTOEPDG-LLVKDONJSA-N	306.362	1.440	50	20	DDGD	
COc1cc(F)c(NC(=O)NNC(=O)c2ccncc2)cc1F	125158664	MMNLBSDQIJUUSI-UHFFFAOYSA-N	322.271	1.835	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)C2CC2)CC[C@@H]1c1ccccc1	129741087	NNMLOKNCXBEUIS-CJNGLKHVSA-N	315.417	1.669	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNC(=O)CC2CCCC2)ccc1F	125907590	PZQRZPVCQHYKLA-UHFFFAOYSA-N	321.352	1.800	50	20	DDGD	
CC(=O)NC[C@H]1CN(/C(=C/C#N)c2ccc(F)cc2)CCO1	79323900	NTFDMFDTAABULP-CZPXXAPJSA-N	303.337	1.527	50	20	DDGD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NNC(=O)CO)c2C)c1	182767629	VLRQZUDBLGDHBW-UHFFFAOYSA-N	315.373	1.464	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1ccc(-n2cccn2)nc1	183980035	ANNCFSAWZYOHRV-UHFFFAOYSA-N	323.316	1.129	50	20	DDGD	
O=C(CC1CCC1)NNc1ccc(S(=O)(=O)NC2CC2)cc1	79922091	QXRKCOLTSMCAGH-UHFFFAOYSA-N	323.418	1.761	50	20	DDGD	
CCn1nc(C)c(NC(=O)NNC(=O)c2ccccc2)c1C	182149300	SFVPBJMBJIOLEI-UHFFFAOYSA-N	301.350	1.986	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2ccccc2Cl)nc(C)n1	130447471	FUTDXTFWEIUAKI-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
O=C(NCCc1nccs1)NNc1nc2ccccn2n1	188020921	XMZKQGZIRSRXRA-UHFFFAOYSA-N	303.351	1.055	50	20	DDGD	
CC(C)(C)n1ncc2c(O)nc(NNC(=O)C3CC=CC3)nc21	76998848	FJLXEXBKJKLOIJ-UHFFFAOYSA-N	316.365	1.696	50	20	DDGD	
COCCC(C)(C)CNC(=O)NNC(=O)Cc1ccncc1	186107573	MURYKXNWPQEHHI-UHFFFAOYSA-N	308.382	1.017	50	20	DDGD	
O=C(NC[C@@H]1CCCCO1)NNC(=O)c1cc2c(s1)CCC2	139713725	SNBFSNNDBKZOQN-NSHDSACASA-N	323.418	1.750	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)CC1OCCCO1	193125460	DDUXXKYVWFHPAV-UHFFFAOYSA-N	306.362	1.310	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)C[C@H]2CCCOC2)n1	192934445	RZHRQCOUBJALCD-GFCCVEGCSA-N	307.398	1.583	50	20	DDGD	
COc1ccc(CNC(=O)NNc2nc3ccccn3n2)cc1	190193214	SFYWYBNOAQMWOE-UHFFFAOYSA-N	312.333	1.564	50	20	DDGD	
Cc1cnc(NC(=O)C(=O)NNc2ccc(F)cc2F)s1	131341089	QYEFJKQKGNXOET-UHFFFAOYSA-N	312.301	1.812	50	20	DDGD	
Cc1ccncc1NC(=O)C(=O)NNc1cc(F)c(F)cc1F	190487378	CMJATJHYJQYETP-UHFFFAOYSA-N	324.262	1.889	50	20	DDGD	
O=C(Cc1cccc(F)c1)NCC(=O)NNc1ccc(F)cc1	45080472	FRAPOVCOSBOPFC-UHFFFAOYSA-N	319.311	1.767	50	20	DDGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(C)CCO)c1C	192653882	RTLNSEMJQXSHEU-WFSQQTBHSA-N	319.405	1.670	50	20	DDGD	
O=C(Cn1cccn1)NNc1ccccc1OC(F)(F)F	190218655	LIFYAZNCJAYNKB-UHFFFAOYSA-N	300.240	1.925	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(CC(N)=O)C(C)C)cc1	193209440	SPDAYWQAYXPGPH-NTEUORMPSA-N	315.373	1.715	50	20	DDGD	
C[C@@H]1CCCC[C@H]1OCCNC(=O)NNC(=O)c1ccc[nH]1	193815874	UOTMATDNTULTIT-DGCLKSJQSA-N	308.382	1.554	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC1(C)Cc2ccccc2C1	91936074	QUEIIMBGDALZFF-UHFFFAOYSA-N	305.378	1.158	50	20	DDGD	
O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1ccc2c(c1)OCCO2	252636093	XDTKCNZIHFORCI-UHFFFAOYSA-N	317.257	1.723	50	20	DDGD	
O=C(NCC1CCSCC1)NNC(=O)c1ccccc1F	264987313	GPYREGAAOZOQSZ-UHFFFAOYSA-N	311.382	1.913	50	20	DDGD	
C[C@@H](OC1CCCCCC1)C(=O)NNc1ccc(C(N)=O)nn1	268710184	WYGPAENDCLAOFP-SNVBAGLBSA-N	321.381	1.147	50	20	DDGD	
CC(=O)Nc1ccc(CNC(=O)NNC(=O)C2CCC2)cc1	264744020	PPMYOQUSUINVBG-UHFFFAOYSA-N	304.350	1.276	50	20	DDGD	
CCNC(=O)c1cccc(CNC(=O)/C(C#N)=C/OCC)c1	269466041	JDBLUEFMBDZRPZ-SDNWHVSQSA-N	301.346	1.496	50	20	DDGD	
CC(C)C[C@@H](C)NC(=O)NNC(=O)COc1ccccc1O	269813796	VIQIOTVJJXAKRC-LLVKDONJSA-N	309.366	1.536	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@@H](C)[C@H]1CCOC1)c1ccccc1	266547511	LCYZRAQGWLDCJZ-QEJZJMRPSA-N	319.405	1.936	50	20	DDGD	
C[C@H](NC(=O)C1CCCC1)C(=O)NNc1nccnc1Cl	265216568	WKJGFYLKFWSFBM-QMMMGPOBSA-N	311.773	1.268	50	20	DDGD	
O=C(CCCNC(=O)c1ccccc1)NNC(=O)C1CCC1	264792352	RYJCKAPLWDWBHD-UHFFFAOYSA-N	303.362	1.144	50	20	DDGD	
O=C(CCC1CCCC1)NNC(=O)COc1ccccc1O	264567096	RTRPLSNKTYMGSD-UHFFFAOYSA-N	306.362	1.889	50	20	DDGD	
CN1C(=O)C[C@@H](C(=O)NNC(=O)OC(C)(C)C)c2ccccc21	363464708	RBUGLYKYOIYWBQ-LLVKDONJSA-N	319.361	1.693	50	20	DDGD	
CCC[C@@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)C(C)C	270717235	JOPKSDQEPPECHH-SECBINFHSA-N	306.370	1.584	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCCC2)NC1CCCC1	276492044	VABCZMVLRNWYBO-UHFFFAOYSA-N	305.382	1.565	50	20	DDGD	
CO[C@H](C)CCC(=O)NNC(=O)c1ccc(Cl)cc1O	272802398	GJPUUXNHNWHUIA-MRVPVSSYSA-N	300.742	1.622	50	20	DDGD	
CC(=O)OCCCc1cccc(NC(=O)NNC(=O)C2CC2)c1	278205426	UUMGCOLZJVBBSS-UHFFFAOYSA-N	319.361	1.745	50	20	DDGD	
CC(C)N1C[C@H](NC(=O)NNc2cc(Cl)ccn2)CC1=O	272428853	NSYVNGJOXDHGKP-SNVBAGLBSA-N	311.773	1.370	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cnn3c2OCCC3)cc1	368350520	XEKQAFVEKVDEIM-UHFFFAOYSA-N	314.345	1.303	50	20	DDGD	
COCCn1ccc(NC(=O)NNc2cccc(OC)n2)n1	272564851	RDYUTOWVHVRLHZ-UHFFFAOYSA-N	306.326	1.082	50	20	DDGD	
C[C@@H](CCC(C)(C)C)C(=O)NNC(=O)C(=O)Nc1ccccn1	273475971	YUHZKHRBKDOVSO-NSHDSACASA-N	320.393	1.630	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1c(C)nn(-c2ccccc2)c1C	272711841	XYIIDHFOZGRMIT-UHFFFAOYSA-N	315.377	1.795	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCc1ccc(C(N)=O)o1	272625830	SIIVOIHSASHDSB-VIFPVBQESA-N	317.183	1.804	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)Nc1ccsc1Cl	275939803	ZBJBLSXMKXEOOK-UHFFFAOYSA-N	301.755	1.288	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@]12CCOC2)Nc1cc(F)cc(F)c1	374782324	RXDBUQVZBIXEIX-FZMZJTMJSA-N	311.288	1.544	50	20	DDGD	
COc1cnc2ccccc2c1C(=O)NNC(=O)NC1CC1	283476140	MVERDXQSBZDFAY-UHFFFAOYSA-N	300.318	1.350	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)[C@H]1CCCCS1(=O)=O	281833731	SIGXUSWFCUMDEI-CYBMUJFWSA-N	310.419	1.968	50	20	DDGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NNC(=O)c1ccccc1OC	286351343	FPOFIJZEWONOMQ-HZMBPMFUSA-N	321.377	1.007	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2[C@@H]3CCC[C@@H]23)cc1	283017548	YOKYAJGPVGUORM-VXGBXAGGSA-N	301.346	1.127	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)[C@H]1CC1(C)C	292438737	WTPXSJDNNBPAOZ-SNVBAGLBSA-N	311.407	1.426	50	20	DDGD	
COc1ccccc1CCC(=O)NNC(=O)N=c1cc[nH]cc1	802025353	BTODQNNGAWUTHR-UHFFFAOYSA-N	314.345	1.298	50	20	DDGD	
CCS(=O)(=O)c1ccccc1C(=O)NNc1cccc(F)n1	804770425	AOQOMOPAMSOKGZ-UHFFFAOYSA-N	323.349	1.771	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)CCCCOC)cc1OC	299392140	STWGMXNWYWUBDC-UHFFFAOYSA-N	324.377	1.672	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2c(C)ccn2C)cc1	802057782	NODNGSUGUJKBCV-UHFFFAOYSA-N	302.334	1.809	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2c(F)ccc(O)c2F)n1	809704538	BSZMTHGKELGWNW-UHFFFAOYSA-N	310.260	1.534	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1C[C@]1(C)C(C)C	807372137	ZHSLXNNXGHRHEQ-BXUZGUMPSA-N	300.399	1.605	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2c[nH]c(C)n2)cc1C	291130387	GSZUNOFTSLXJAY-UHFFFAOYSA-N	302.334	1.960	50	20	DDGD	
NC(=O)c1ccc(CCC(=O)NNC(=O)CC2CCCC2)cc1	295342121	UVOHTCXBZARQHZ-UHFFFAOYSA-N	317.389	1.446	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)CC(C)(C)C)cc1	291186112	KZHIVOHXZMRRCS-UHFFFAOYSA-N	313.423	1.816	50	20	DDGD	
CN(C)CC(=O)NN=C1CCc2ccc(Br)cc21	800811717	GKXGQXJDRWQZKA-UHFFFAOYSA-N	310.195	1.777	50	20	DDGD	
COc1cnc(NC(=O)NNC(=O)CCc2ccccc2)s1	806517884	VBBLQPNAZDFGNZ-UHFFFAOYSA-N	320.374	1.937	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)[C@@H]1CCCCO1)c1ccc(F)cc1	295587793	OWWSFYQLEFIWGH-VNDWYCCKSA-N	306.337	1.946	50	20	DDGD	
COCCN(C)NC(=O)[C@H](C)Oc1ccc(CCC(C)=O)cc1	293570478	IYZOJIKTNYDXBO-AWEZNQCLSA-N	322.405	1.585	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCc2occc2C)c1	291681345	CJEAIBFIXGJOEP-UHFFFAOYSA-N	317.345	1.806	50	20	DDGD	
CCOCc1ccccc1CNC(=O)NNC(=O)[C@@H]1CCCO1	291559571	CDDPPWPWVUEACQ-AWEZNQCLSA-N	321.377	1.233	50	20	DDGD	
C[C@H]1CCCN(C(=O)C(=O)NNc2nc3ccccc3[nH]2)C1	802569850	BNHCFDKRRWKRAD-JTQLQIEISA-N	301.350	1.265	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1coc(-c2ccccc2)n1	802028771	GIMRSDXVNFLGPQ-UHFFFAOYSA-N	323.312	1.625	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)C1(F)CCCCC1	810626408	YURQPZUODKTICM-UHFFFAOYSA-N	301.362	1.111	50	20	DDGD	
O=C(CCn1cnccc1=O)NNc1cc(F)c(F)c(F)c1	815856934	HYQFFCDKZBYAKP-UHFFFAOYSA-N	312.251	1.194	50	20	DDGD	
COCCN(C)NC(=O)c1cnc(Cc2ccccc2)s1	816561154	NIGDWZSCCPUOMI-UHFFFAOYSA-N	305.403	1.957	50	20	DDGD	
Cc1ccc2ncc(C(=O)NCCCSC#N)c(=O)n2c1	816539671	PIEMCDALBLTKAX-UHFFFAOYSA-N	302.359	1.337	50	20	DDGD	
O=C(NNc1ncncc1F)C1=NO[C@H](c2ccccc2)C1	817071458	TWZJKRTXDOGOTD-LBPRGKRZSA-N	301.281	1.576	50	20	DDGD	
CN(C)CCOc1ccc(/C=C\C(=O)NN(C)C2CC2)cc1	819649914	NNKVPNYOJBEDBZ-WDZFZDKYSA-N	303.406	1.766	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCc2nccs2)c1	728949794	YQTYBCZXGYLYNF-UHFFFAOYSA-N	301.331	1.159	50	20	DDGD	
C[C@H]1CCC[C@@H]1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	824925179	BEZRXFQONKSMDJ-CABZTGNLSA-N	314.349	1.064	50	20	DDGD	
C#C[C@H](NC(=O)NNc1cccc(C(=O)OC)c1F)C(C)C	491747808	CUYYCHZSTAQOTM-NSHDSACASA-N	307.325	1.896	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(Br)c(C)nc1O	495764739	YOLONYFHROHSHB-UHFFFAOYSA-N	318.127	1.201	50	20	DDGD	
CN1CC[C@@H](C(=O)NNC(=O)c2cc3c(s2)CCCCC3)C1	729283931	MJYIUNGCINCDFC-GFCCVEGCSA-N	321.446	1.730	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cccc(O[C@@H](C)CC)c1	495666909	BZAGUUKIJSLBQD-JTQLQIEISA-N	323.349	1.580	50	20	DDGD	
Cc1nn(CCC(=O)NNC(=O)C2CCCC2)c(C)c1[N+](=O)[O-]	726502460	UMKPMOVTJPWZKN-UHFFFAOYSA-N	323.353	1.136	50	20	DDGD	
Cc1nc(C)c(C(=O)NNc2nc(-c3cccnc3)no2)s1	728968383	IDIZKWUWXQJHMN-UHFFFAOYSA-N	316.346	1.962	50	20	DDGD	
CC[C@@](C)(O)C(=O)NNc1cc(C#N)ccc1Br	825156906	BSTUQRXWUYDBRG-GFCCVEGCSA-N	312.167	1.925	50	20	DDGD	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NN(C)[C@H](C)CO	823976168	AFWPYRJIXHDBPH-KBUPBQIOSA-N	300.443	1.808	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cn(C)nc1-c1cc(F)ccc1F	823903093	ZDDARPLZFONNPL-VIFPVBQESA-N	324.331	1.323	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC[C@H](n2ccnn2)C1	491014233	WQIJUNRFKQRONA-LTBFUDJGSA-N	323.356	1.754	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)/C=C\c1ccc[nH]1	492030653	JSXOJPJPGZQBGW-WDDYJBPVSA-N	317.320	1.782	50	20	DDGD	
Cc1cc(C)c(NNC(=O)CNC(=O)N2CCCC2)c(C)c1	901164376	HRWRWQLQYCLRFD-UHFFFAOYSA-N	304.394	1.860	50	20	DDGD	
CC[C@@H](NCc1cccc(B(O)O)c1)[C@@H](O)c1ccccc1F	585026236	DTORISOIUSEARU-SJORKVTESA-N	317.169	1.107	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H]1CCN(c2cc(C)cc(C)c2)C1=O	823853067	YXVLFRURTSFSIM-HNNXBMFYSA-N	319.405	1.002	50	20	DDGD	
CCCOc1nc(C)ccc1C(=O)Nc1cccc(B(O)O)c1	584914057	OMPDQJAEQNCDJQ-UHFFFAOYSA-N	314.150	1.111	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCc1nnc(C2CC2)o1	490975989	QGERGZUQLREMMA-KPKJPENVSA-N	310.313	1.876	50	20	DDGD	
C[C@@H](CCc1ccc(F)c(F)c1)NCc1ccc(B(O)O)o1	585023376	HAANYKJRTUPBGS-JTQLQIEISA-N	309.121	1.349	50	20	DDGD	
CCCN(NC(=O)CCCCC(=O)NC)C(=O)OC(C)(C)C	495631239	MUWKAYAFGFWBOT-UHFFFAOYSA-N	315.414	1.971	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21	905201050	XWFDRYNERXIXPV-LEWSCRJBSA-N	306.749	1.255	50	20	DDGD	
CN(C)c1ncc(/C=C(\C#N)C(=O)NCCc2ccccc2)n1C	490969512	DVQDZZSLEGNYNV-RVDMUPIBSA-N	323.400	1.752	50	20	DDGD	
O=C(COCc1ccccc1)NN=C1CCC(C(=O)O)CC1	738471541	UUHUYGFWEBBCHN-UHFFFAOYSA-N	304.346	1.950	50	20	DDGD	
CCC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(B(O)O)ccc1F	584945569	ZURODPJDVHYHBW-ABAIWWIYSA-N	307.174	1.594	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccc(F)cc1C(F)(F)F	495326717	PQAIZUBWQDXVFQ-UHFFFAOYSA-N	323.202	1.170	50	20	DDGD	
Cn1cc(C(=O)NN=C2C(=O)Nc3ccc(Cl)cc32)cn1	735413236	IIXGINQHHLBVFK-UHFFFAOYSA-N	303.709	1.160	50	20	DDGD	
O=C(NC12CCC(F)(CC1)CC2)c1ccc(B(O)O)c(F)c1	584994909	PKKTVIFXNBCTTG-UHFFFAOYSA-N	309.121	1.050	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCCCCCC(=O)O)c1	739132826	UTJYYKZUTDWQTD-UHFFFAOYSA-N	318.333	1.147	50	20	DDGD	
C[C@]1(C(=O)NNc2ccc(-n3ccnc3)nn2)CCCCO1	837644242	NWGLPNVEGXMXTH-CQSZACIVSA-N	302.338	1.065	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2CCOc3ccc(F)cc32)c1	585036927	OQHMHSJBIOYCFU-OAHLLOKOSA-N	301.126	1.119	50	20	DDGD	
CSC[C@@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	731385207	ILXVGNBFELXPAF-LLVKDONJSA-N	324.402	1.298	50	20	DDGD	
O=C(c1cc(OC(F)F)ccc1F)N1CC[C@@H](B(O)O)C1	585065131	BLCCCSXYLGOUCJ-SSDOTTSWSA-N	303.045	1.116	50	20	DDGD	
CO[C@H]1C[C@H](NCC(=O)NNC(=O)c2cccs2)C12CCC2	839192001	RTVPRNJZSVLLDY-RYUDHWBXSA-N	323.418	1.056	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H]1C(=O)O)c1cccc(C(F)(F)F)c1	739454035	NZTTYEMMDSRYRC-IUCAKERBSA-N	316.235	1.187	50	20	DDGD	
C[C@]1(C(=O)NCC2CC3(C2)OCCO3)C[C@@H]1Br	832177395	YFEUZOJVDKPHAO-ONGXEEELSA-N	304.184	1.429	50	20	DDGD	
OB(O)c1cccc(CNc2ccccc2N2C[C@H]3CC[C@H]2C3)c1	585038439	FFCXVWZEIOERSV-RDJZCZTQSA-N	322.217	1.967	50	20	DDGD	
CC(=O)N(C)Cc1cn(/C(Cl)=C/CBr)nn1	900546429	MYAHZHYROKLYLE-YCRREMRBSA-N	307.579	1.689	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)CC(F)(F)F)cc1	734947327	VORAMVKTVDJGIH-UHFFFAOYSA-N	303.284	1.820	50	20	DDGD	
CCC(C)(C)OCC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	838407721	GOXVPBRCXYLGGY-LLVKDONJSA-N	316.398	1.317	50	20	DDGD	
Cc1nn(-c2cccc(F)c2)cc1C(=O)NNC(=O)C1CC1	839460920	GUQQBERWPLSBKA-UHFFFAOYSA-N	302.309	1.491	50	20	DDGD	
CNC(=O)c1ccc(C=NNC(=O)Cn2nc(C)cc2C)cc1	912797631	GSSKJWJRLBAFBG-UHFFFAOYSA-N	313.361	1.010	50	20	DDGD	
CC(C)(C(=O)NNC(=O)COC[C@@H]1CCCO1)c1ccccc1	731231690	ZASBPNZREVYLNS-AWEZNQCLSA-N	320.389	1.307	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1sccc1C	733744765	PZHWGQXYKVOARM-GFCCVEGCSA-N	309.435	1.865	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNc1ccc(F)c(C(=O)OC)c1	837037211	QUHLDWRPJYMSPD-MRVPVSSYSA-N	312.297	1.255	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)Cc1ccccc1OC	834945123	XCEPQLKBMAOCRL-UHFFFAOYSA-N	301.350	1.308	50	20	DDGD	
Cc1ccc(F)cc1C(=O)C(=O)NNC(=O)[C@@H]1CCCCO1	833243369	RANWYSYEKIQMBT-LBPRGKRZSA-N	308.309	1.033	50	20	DDGD	
CON(C)C(=O)CCC(C)=NNC(=O)c1ccc(C#N)cc1	834950787	VOBKSXKWOPABOY-UHFFFAOYSA-N	302.334	1.464	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)OCC(=O)NCCC(C)(C)C)cn1	837970071	XPMYUGPSFMGHCN-NTUHNPAUSA-N	318.377	1.423	50	20	DDGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)c1cn[nH]c1	916092562	ZIHMVJUMMJVCPZ-UHFFFAOYSA-N	310.766	1.616	50	20	DDGD	
O=C(Cc1csc2nccn12)NNc1ccccc1C(=O)O	833765303	HDZXIQXPRQSCNU-UHFFFAOYSA-N	316.342	1.780	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2O[C@H](C)C[C@H]2C)ccc1F	837036439	CAXJAKLPKGNHKS-JRKPZEMJSA-N	310.325	1.869	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)C(=O)c1ccc(Br)s1	910148621	DDCOQQMIJBTNSA-ZCFIWIBFSA-N	321.196	1.037	50	20	DDGD	
CC[C@H](C#N)C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	845087369	IHTKNKPMCPQDSC-QWHCGFSZSA-N	303.362	1.768	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C2[C@@H]3CCC[C@@H]23)cc1C	748524755	XCAZOTHEPOUELB-ZIAGYGMSSA-N	302.374	1.876	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)c2ccccc21)c1cccnc1	916251360	HZWGHWIMMQUXTG-UHFFFAOYSA-N	315.354	1.393	50	20	DDGD	
Cc1nccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)n1	917392074	PZSPXWBJBZRHMP-VIFPVBQESA-N	318.308	1.153	50	20	DDGD	
CO[C@H](CS(=O)(=O)NNC(=O)NC1CCCCC1)C(C)C	842573405	JELRUBPDTIUFIK-GFCCVEGCSA-N	321.443	1.124	50	20	DDGD	
CN(C)c1ccc(C=NNC(=O)COc2ccccc2O)cc1	916657255	FKROXWSTWXLSSH-UHFFFAOYSA-N	313.357	1.987	50	20	DDGD	
Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)NN	917371555	DZLZIRFPJZSAGM-UHFFFAOYSA-N	319.386	1.077	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)COc1ccccc1C(F)(F)F	910171547	XQNWBVZCHXMWGT-SECBINFHSA-N	306.284	1.428	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)c2cc(Cl)ccc2O)[nH]1	747629872	MYBFAEIRTWKIKH-UHFFFAOYSA-N	321.720	1.924	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=S)Nc1ccc(Cl)nc1	843276932	KZQUFHWSKWUKEW-APPZFPTMSA-N	314.798	1.478	50	20	DDGD	
O=C(NNS(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccc[nH]1	741647959	VEWIRMZXBJXLEV-UHFFFAOYSA-N	319.264	1.055	50	20	DDGD	
N[C@H]1C[C@@H](C(=O)NNc2c(F)cc(F)cc2Br)C1	843445324	YJPDWZYKRDRONX-IAQIWYKVSA-N	320.137	1.908	50	20	DDGD	
C[C@H]1CCNC(=O)[C@@H]1NS(=O)(=O)c1ccc(CCl)cc1	915226694	YRSSCTNMWDZCPO-JOYOIKCWSA-N	316.810	1.228	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccc(C)c([N+](=O)[O-])c2)n1	916343155	NGNDJTIQUONODG-UHFFFAOYSA-N	315.333	1.867	50	20	DDGD	
COCC[C@H](C)NC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	743576496	DKTMOODCZGVKGV-NSHDSACASA-N	323.397	1.513	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cc([N+](=O)[O-])ccc1O	916354717	IRUWHJRKJPNLFO-UHFFFAOYSA-N	308.338	1.482	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)[C@@H]1CCCN1C(=O)C1CC1	843857673	XEXVUBCTVUFWAY-ZDUSSCGKSA-N	305.353	1.978	50	20	DDGD	
CCC(=NNC(=O)CNC(=O)c1cccs1)c1cnn(C)c1	741810199	NBAUODJTKHLJFN-UHFFFAOYSA-N	319.390	1.142	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(NCC2CC2)nc1	843971059	OKZCMBYJUCLKHW-MFKMUULPSA-N	318.377	1.090	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1C	842587073	VDPYFUMYBVMUHA-YPMHNXCESA-N	312.391	1.038	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CCCN)c2ncccc12	841194789	QQNURGKNJVOQFR-UHFFFAOYSA-N	317.349	1.135	50	20	DDGD	
CN(C)[C@H]1CCC[C@H](NC(=O)NNC(=O)CC(F)(F)F)C1	749589122	GLLPNNQGVNMUIA-IUCAKERBSA-N	310.320	1.142	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C[C@H](C)NC(=O)OC(C)(C)C	742519218	KAQHOALAPXBINJ-JTQLQIEISA-N	301.387	1.483	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCC[C@@H](CO)[C@H]1C	841584344	IAHPJECUBPUYGD-NEPJUHHUSA-N	321.377	1.142	50	20	DDGD	
CC(C)C[C@@H](CN)NC(=O)NNC(=O)Cc1ccccc1F	841954489	SFIQRPSBUVELLZ-LBPRGKRZSA-N	310.373	1.072	50	20	DDGD	
CC(C)C(=O)NCCCNC(=O)NNc1cc(F)ccc1F	921661112	HIDSYWPORBLRCA-UHFFFAOYSA-N	314.336	1.753	50	20	DDGD	
COc1nccnc1NNC(=O)c1cccc2c1OCCCO2	846260430	HWVLURQYVXMBRY-UHFFFAOYSA-N	316.317	1.403	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)NC[C@H]1CNCCCO1	842010946	NAVUHDSTAJRLIC-LLVKDONJSA-N	312.801	1.653	50	20	DDGD	
C[C@H](O)[C@@H]1CCCN(C(=O)NC[C@@]2(C)C[C@H]2Br)C1	856955189	WFXIKPBRYWOCEJ-SBFPOUOMSA-N	319.243	1.962	50	20	DDGD	
CC(C)CCOc1ccc(C(=O)NNC(=O)[C@@H](O)C2CC2)cc1	854198052	CFCLJQNSAVPEJD-HNNXBMFYSA-N	320.389	1.643	50	20	DDGD	
Cn1nncc1C=NNC(=O)CSc1ccc(Cl)cc1	751129517	HPSMUWNAIPPNRT-UHFFFAOYSA-N	309.782	1.711	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=C1CCCN(C)CC1	758100701	XUJPSZWQXJXNDJ-RRFJBIMHSA-N	324.469	1.320	50	20	DDGD	
CCOc1nc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)co1	753765495	YQNCRGFEFIDCBT-UHFFFAOYSA-N	320.261	1.056	50	20	DDGD	
COCCCNC(=O)CN(C)C[C@H](CBr)C1CC1	859071670	NZXPSHGWJJZHQM-LBPRGKRZSA-N	321.259	1.492	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H](O)c2ccccc2)nc1	759730467	ICAOXGDXBLVGOC-ZDUSSCGKSA-N	301.302	1.045	50	20	DDGD	
C[C@@H]1C(=NNC(=O)c2cccc(C(=O)O)c2)CC[C@@H]1CC(=O)O	853426330	LXFFAKSIZJNVAN-VHSXEESVSA-N	318.329	1.991	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)C[C@H]1SC(=N)NC1=O	928340642	XXPBRPCIPGVOGX-SECBINFHSA-N	312.782	1.648	50	20	DDGD	
CC(C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)=C1CCC1	855825802	LXNHVPSGYMVCGA-UHFFFAOYSA-N	309.410	1.577	50	20	DDGD	
CC(C)c1nnc(CCC(=O)NNC(=O)c2cccc(F)n2)o1	856422735	CONPIULWYKPPDX-UHFFFAOYSA-N	321.312	1.121	50	20	DDGD	
CCO[C@@H]1COC[C@H]1NC(=O)NNc1ccc(F)cc1Cl	922776797	XTBQXBDBMWJZEH-VXGBXAGGSA-N	317.748	1.909	50	20	DDGD	
COC(=O)c1ccccc1CCC(=O)NNC(=O)C1CCCC1	758393909	NYPNQALFUAAYGJ-UHFFFAOYSA-N	318.373	1.743	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCC(O)CC2)cc1)c1ccc[nH]1	853283692	ZWWJGOXOFZXXMT-UHFFFAOYSA-N	312.373	1.740	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C=NNC(=O)[C@H]1CCCCO1	853352937	MBURDNWNAFRGQO-BFHYXJOUSA-N	320.393	1.559	50	20	DDGD	
CC1CC(C#N)(C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)C1	855831870	KNYIAJXUIXIAMK-UHFFFAOYSA-N	322.409	1.016	50	20	DDGD	
O=C(NN=C1CCN(CCc2ccccc2)CC1)c1cc[nH]n1	853392671	QNOMCPZCXDTYJB-UHFFFAOYSA-N	311.389	1.834	50	20	DDGD	
CCOC[C@@H](C(=O)OC)N(C)C[C@@H](CBr)C1CC1	859200718	KIRMJPZBYGKMSV-NEPJUHHUSA-N	322.243	1.917	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21	859854243	HAGDVUDYDSSGEM-ZEQHWRKHSA-N	316.357	1.061	50	20	DDGD	
COC(=O)NNC(=O)[C@@H](C(=O)OC(C)(C)C)C1CCCC1	856756540	CHWHANUXJVXNTK-JTQLQIEISA-N	300.355	1.522	50	20	DDGD	
C[C@@H]1CN(C2CC2)CC1=NNC(=O)CCN1CCCCCC1	755886975	RNADZSDYRWXFHD-CQSZACIVSA-N	306.454	1.839	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cnc(OC(C)C)c(Cl)c1	854925497	HGVPIDHDOMHBOU-UHFFFAOYSA-N	316.814	1.603	50	20	DDGD	
NC(=O)c1ccc(NC(=O)NNC(=O)CC2CCCC2)c(F)c1	756821324	PEBVKGWTFYGZEX-UHFFFAOYSA-N	322.340	1.658	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCCO2)c1cnn(C)c1	920828210	WSYSSDPETKYPAJ-UHFFFAOYSA-N	300.318	1.345	50	20	DDGD	
CCCN(C)c1ccc(C(=O)NNC(=O)c2cc[nH]n2)cc1	855359381	PJWAOMWFLHVVIE-UHFFFAOYSA-N	301.350	1.331	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2cc(C(=O)O)cs2)n1	755614075	WNRDJNFHCOUZRN-UHFFFAOYSA-N	309.372	1.904	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H](C)C[C@H]2CCOC2)n1	759765805	CYIZRTIKOPFKQT-MWLCHTKSSA-N	309.370	1.235	50	20	DDGD	
C=C[C@@](C)(O)C(=O)NNC(=O)c1ccc(OCCC)c(OC)c1	854236131	KBFHYXHDOZVYOK-MRXNPFEDSA-N	322.361	1.182	50	20	DDGD	
CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)NNc1ccccn1	852692156	PGTRISHAUFPPPM-NHYWBVRUSA-N	306.366	1.830	50	20	DDGD	
COC[C@@H](OC)C(=O)NNc1ccnc2cc(Cl)ccc12	856781981	WXUKKZSOYGMKSB-CYBMUJFWSA-N	309.753	1.993	50	20	DDGD	
Cc1cnccc1CCNC(=O)NNC(=O)CC(F)(F)F	755090019	QTWRVIOQUVYRIG-UHFFFAOYSA-N	304.272	1.215	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)COCc1ccccc1C	856962242	LIUIVMLBGWTRJZ-GFCCVEGCSA-N	322.361	1.001	50	20	DDGD	
O=S(=O)(CCCCl)NCc1noc(C(F)(F)F)n1	882135970	JPSMWTQURBQRCE-UHFFFAOYSA-N	307.681	1.137	50	20	DDGD	
CCCCC[C@H](C)NC(=O)NNC(=O)C(=O)Nc1ccccn1	758667533	WBRWXDVOOQUEGD-NSHDSACASA-N	321.381	1.319	50	20	DDGD	
CSSCCNC(=O)Cc1cc(=O)n(CC(C)C)[nH]1	935872472	FZWUWRJPRKHISQ-UHFFFAOYSA-N	303.453	1.502	50	20	DDGD	
C[C@H](NNC(=O)c1cnc2c(c1)NC(=O)CS2)C(F)(F)F	862315767	FINWVDXXZAJUSS-YFKPBYRVSA-N	320.296	1.311	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1ccc(Br)cc1F	767783519	UWOWSIZGFDPFCV-UHFFFAOYSA-N	316.174	1.990	50	20	DDGD	
CC(C)(C)[C@H](O)C(=O)NNC(=O)c1cccc(OC(F)F)c1	764994374	YMALCESHZMELDK-SNVBAGLBSA-N	316.304	1.456	50	20	DDGD	
O=C1CSC[C@@H](C(=O)NNc2c(Cl)cccc2Cl)N1	934811731	MUEYPFFOZVLOLD-QMMMGPOBSA-N	320.201	1.668	50	20	DDGD	
Cc1c(NNC(=O)[C@@H](C)[C@@H]2CCC(=O)N2)cccc1[N+](=O)[O-]	860325163	CWDRKBIUKWWPRJ-UWVGGRQHSA-N	306.322	1.261	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1ccc(C(C)(C)O)cc1	767384090	AIBZDCRBZNNEOW-ZDUSSCGKSA-N	322.405	1.806	50	20	DDGD	
O=C(CN(Cc1ccoc1)C1CC1)NNC(=O)c1cccs1	934004830	QJYPTLZXJPCQQG-UHFFFAOYSA-N	319.386	1.767	50	20	DDGD	
COC1(C=NNC(=O)CCN2CCCCCC2)CCOCC1	761766690	JZYMWKUSSQYLJQ-UHFFFAOYSA-N	311.426	1.550	50	20	DDGD	
Cn1cc(C(=O)NNCC(F)(F)C(F)(F)F)c(C2CC2)n1	863100168	VGMUMZZWURWGFX-UHFFFAOYSA-N	312.242	1.730	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNC(=O)c1cc(C)cs1	862478819	ROKGRJHOPVRFIT-UHFFFAOYSA-N	312.391	1.797	50	20	DDGD	
C[C@H]1CC(=NNC(=O)[C@@H]2CCC(=O)N2)CN1Cc1ccccc1	863148390	AXYJBANAGIKXRE-WFASDCNBSA-N	314.389	1.032	50	20	DDGD	
COC(=O)Nc1ccc(NCc2ccccc2B(O)O)cc1	864020229	LKTTXMKFJBZCNL-UHFFFAOYSA-N	300.123	1.157	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H]2CC(C(=O)OC(C)(C)C)=NO2)n1	862520216	LZFXQAVAFYJHII-LLVKDONJSA-N	320.349	1.320	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NC[C@H]2COCO2)cc1	861964329	HSSFFIBRWJCUBB-QLBUUCPGSA-N	302.330	1.481	50	20	DDGD	
CCCN(C)c1ccccc1NC(=O)NNC(=O)c1cc[nH]n1	861648049	QUHRBGCUGADSHM-UHFFFAOYSA-N	316.365	1.722	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2cn(C(C)(C)C)nn2)c1	862477945	VNFGAUFJJYZBQL-UHFFFAOYSA-N	307.379	1.478	50	20	DDGD	
O=C(NN=C1CCN(c2nccs2)CC1)c1ccncc1	764638888	BQMRTFYFKNHIGH-UHFFFAOYSA-N	301.375	1.924	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccn(C)c2)cc1C	763105596	MYDFFLZIUYJEKZ-UHFFFAOYSA-N	301.346	1.482	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1ccnn1C	765992626	DUCOOVFQKNTPLQ-AWEZNQCLSA-N	300.318	1.100	50	20	DDGD	
COc1ccc2c(c1)[C@H](C(=O)NNC(=O)c1ccccn1)CC2	761385434	MYCXGCYONRVMKZ-CYBMUJFWSA-N	311.341	1.581	50	20	DDGD	
COc1cc2ccccc2cc1C(=O)NNC(=O)c1cc(C)[nH]n1	765586470	WPPMIDOQDMUJPY-UHFFFAOYSA-N	324.340	1.955	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCc2ccc(O)nc2)cc1	1116834361	LQUXXEXSRPDRIJ-UHFFFAOYSA-N	315.329	1.190	50	20	DDGD	
O=C(NCCN1CCCC1=O)NNc1cccc(F)c1Cl	875696756	TVNVLRDCMFALSS-UHFFFAOYSA-N	314.748	1.728	50	20	DDGD	
CCC[C@@H](CC)C(=O)NNC(=O)COc1ccc(C#N)cc1	873778084	LPMVCCZMDMTEJP-CYBMUJFWSA-N	303.362	1.911	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc([S@](C)=O)c(F)c1	878814814	VCZZSSUKFLOCKU-FQEVSTJZSA-N	303.315	1.298	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)COc1ccc(C#N)cc1	770597306	NDSNAKGHNJKCQY-UHFFFAOYSA-N	311.345	1.383	50	20	DDGD	
NC(=O)N1CCC[C@H](C(=O)NNc2cc(Cl)ccc2F)C1	871272188	LNYMKFOVARWUFE-QMMMGPOBSA-N	314.748	1.713	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc(C(C)=O)cc2F)n1	777303121	XVJQHLLMTQNFOS-UHFFFAOYSA-N	304.281	1.584	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@H](C)CSC)cn1	874953473	CVXPQFKWKPZCLF-MRVPVSSYSA-N	314.436	1.407	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)[C@H]2CCC(=O)N2)cc1C	872391916	CWZPTXDUCNEISR-CYBMUJFWSA-N	303.362	1.513	50	20	DDGD	
CC(=O)N[C@H](CC(=O)NNc1ccccn1)c1cccs1	777473987	YFTHFSPFEPJYEY-LLVKDONJSA-N	304.375	1.854	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)NNC(=O)C2CC2)C1	777761754	ATXGOENKUMGPBW-JTQLQIEISA-N	311.382	1.191	50	20	DDGD	
COC(=O)N(C)CC(=O)NNC(=S)Nc1ccc(C)c(C)c1	873765105	OGARMBMNRMPOPW-UHFFFAOYSA-N	324.406	1.319	50	20	DDGD	
CCN(CC)c1ccc(C=NNC(=O)NCC(=O)OC)cc1F	779820558	FEWAFHHBIZHLGZ-UHFFFAOYSA-N	324.356	1.478	50	20	DDGD	
O=C(Cc1ccncc1)NN=Cc1ccc([N+](=O)[O-])cc1F	777888477	NKRQFKSVWJWPCA-UHFFFAOYSA-N	302.265	1.822	50	20	DDGD	
C[C@H](C1CC1)n1cc(NC(=O)NNC(=O)c2ccccn2)cn1	779507900	SQTNGYPBUJAXSN-SNVBAGLBSA-N	314.349	1.716	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)Cc1ccccc1Cl)C1CCCC1	772139633	NDANWGOHRHGYKR-ZDUSSCGKSA-N	310.781	1.581	50	20	DDGD	
COc1ccc(NC(=O)NNc2ncccn2)cc1[N+](=O)[O-]	775721679	HQIAHCVCTLHWMS-UHFFFAOYSA-N	304.266	1.542	50	20	DDGD	
Cc1nc(C(C)(C)C)nc(O)c1C(=O)NNc1ccccn1	777471654	VSVXHSZPPBKIGP-UHFFFAOYSA-N	301.350	1.940	50	20	DDGD	
Cc1c(NC(=O)NNc2ccccn2)cccc1-n1cnnn1	779001218	CGYVPBYGTLWOST-UHFFFAOYSA-N	310.321	1.514	50	20	DDGD	
O=C(CCc1nc2ccccc2o1)NNC(=O)C1CCOCC1	883059584	CKPYVZQOYDNXSZ-UHFFFAOYSA-N	317.345	1.334	50	20	DDGD	
O=C(Cc1ccc(Cl)cn1)NNC(=O)Cc1ccccc1F	786121096	UGWHNKUKGQJTGX-UHFFFAOYSA-N	321.739	1.807	50	20	DDGD	
C#CCC1(C(=O)O[C@H](C)C(=O)NNC(=O)CC)CCCCC1	788217439	GFROVDGVDQDUET-GFCCVEGCSA-N	308.378	1.449	50	20	DDGD	
COCc1ncsc1C(=O)NNC(=O)CCc1ccccc1	786038014	HWAJQTZIKXCILZ-UHFFFAOYSA-N	319.386	1.683	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnc(OCC2CC2)c(Cl)c1	784622941	GLPXBXPOVBZOIR-UHFFFAOYSA-N	312.757	1.488	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2ncncc2Cl)c1C	782166071	NCHIFDJAFCKZLX-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
COc1ccc(CNS(=O)(=O)CCCCl)c(OC)n1	882209008	GHLGYCTYQQZLQN-UHFFFAOYSA-N	308.787	1.147	50	20	DDGD	
Cc1cnc(NC(=O)C(=O)NNc2ncccc2Cl)s1	782116399	GDZBBMIMOQXVMN-UHFFFAOYSA-N	311.754	1.582	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NNc1ncc(Cl)cn1	880802891	VNBSFDCXIQCTMK-CPCISQLKSA-N	306.757	1.662	50	20	DDGD	
CC1(NC(=S)NNC(=O)c2cc(Br)c[nH]2)CC1	789176726	BDVAZPZPBCVGPB-UHFFFAOYSA-N	317.212	1.439	50	20	DDGD	
Cc1ccccc1[C@@H](CO)NS(=O)(=O)CBr	782464919	SWRVVNHDNMXEQD-SNVBAGLBSA-N	308.197	1.300	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N[C@]1(C)CCO[C@H]1C1CC1	784595807	RRYPYFQLILXHNW-HZUKXOBISA-N	311.426	1.116	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cccc2nn[nH]c12	783696459	GYAQBURMXZZGJC-UHFFFAOYSA-N	311.301	1.501	50	20	DDGD	
CCc1cc(NNC(=O)C(OC)OC)nc(-c2ccccn2)n1	896304246	JYPPGYLABBQTKX-UHFFFAOYSA-N	317.349	1.163	50	20	DDGD	
CCOC(CCNC(=O)NNc1cccc(C#N)c1)OCC	786908270	UUISYISPBSAWKU-UHFFFAOYSA-N	306.366	1.974	50	20	DDGD	
CC1(C)C(=NNC(=O)C(=O)NC2CC2)C[C@H]1Oc1ccccc1	788981799	WXSBYRNIYXGZQE-CQSZACIVSA-N	315.373	1.615	50	20	DDGD	
N#CCOc1cccc(NC(=O)C(=O)NNc2ccccc2)c1	784769675	KCNKTIJSTSVNTO-UHFFFAOYSA-N	310.313	1.671	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cccnc1-c1csc(C)c1	782894083	KTLIUKHOUDYLKG-UHFFFAOYSA-N	320.374	1.918	50	20	DDGD	
CC(C)OC(=O)CC[C@H](C)NS(=O)(=O)CBr	795243248	ZWFCQGKFUPLTOR-QMMMGPOBSA-N	316.217	1.379	50	20	DDGD	
CSC[C@H]1CCCN(CC(=O)NNC(=O)C(C)(C)C)C1	795602494	BUXAVAHHBIZISV-NSHDSACASA-N	301.456	1.255	50	20	DDGD	
C[C@@]1(C=NNC(=O)CNC(=O)c2cccs2)CCCS1	792997192	WNXJKKYLBMPUSF-ZDUSSCGKSA-N	311.432	1.866	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)CCc1cccc(C)c1	793274581	XQPMBFQLLHJMOV-UHFFFAOYSA-N	323.462	1.802	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2cn3cccc(C)c3n2)n1	794081385	FENZPJXRMFZNTR-UHFFFAOYSA-N	323.356	1.350	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(C(F)(F)F)c(OC)c1	790535956	UOBGFZHBUPSBFK-UHFFFAOYSA-N	321.255	1.513	50	20	DDGD	
NC(=O)CSCC(=O)NNc1cc(Cl)cc(Cl)c1	791713859	NTOHRYWBKLOSDK-UHFFFAOYSA-N	308.190	1.655	50	20	DDGD	
CC(C)C[C@@H]1CCCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)C1	794509013	XGLIUPVAJFGKBL-NEPJUHHUSA-N	317.455	1.633	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2cn3c(n2)CCCC3)c1	799715203	NFZCTWJQFWOJQW-UHFFFAOYSA-N	316.752	1.896	50	20	DDGD	
O=C(NN=C1CCC12CCOCC2)[C@@H]1COc2ccccc2O1	799866912	ZGZKIDOYYMYBIL-AWEZNQCLSA-N	316.357	1.889	50	20	DDGD	
CC(C)c1noc(CCNC(=O)NNc2ccc(F)cn2)n1	1318450941	XYWKZBWCTGFGGG-UHFFFAOYSA-N	308.317	1.596	50	20	DDGD	
COc1nc(Cl)c(/C=C(\C#N)C(=O)N=c2cc[nH]cc2)n1C	1319794157	TZBBQCLPGSZVEN-VQHVLOKHSA-N	317.736	1.445	50	20	DDGD	
CC(=NNC(=O)c1n[nH]c2c1CCCC2)c1ccc(F)cn1	1319842215	GGJLEHUAQNWJKH-UHFFFAOYSA-N	301.325	1.977	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H](C)Oc1ccc(C=O)cc1	1323517573	JTWJHPMLOBOWDB-JTQLQIEISA-N	309.391	1.170	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H](CN)CC(C)C)cc1	1325326736	YKBYKYQCJBNQOB-GFCCVEGCSA-N	308.382	1.013	50	20	DDGD	
CCc1onc(C)c1NC(=O)C(=O)NNc1nccnc1Cl	1321656008	IIEUIZOORJLODC-UHFFFAOYSA-N	324.728	1.071	50	20	DDGD	
Cn1c(NNC(=O)c2cnc(C3CC3)[nH]2)nc2ccccc2c1=O	1320485643	GUOUGFVTPJEGPX-UHFFFAOYSA-N	324.344	1.291	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2ccc(C(N)=O)nc2)c1	1324282647	WNXPRBNTBUMRDD-UHFFFAOYSA-N	304.281	1.085	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ncc(C(C)C)s2)nn1	1320866433	GFMQFQMIQPMUMN-UHFFFAOYSA-N	320.378	1.447	50	20	DDGD	
Cc1cc(NNC(=O)c2cncc(OCC(F)F)c2)ncn1	1322739920	YKXCNNYHVCIBLV-UHFFFAOYSA-N	309.276	1.581	50	20	DDGD	
N#CCOc1cccc(C=NNC(=O)C(=O)Nc2ccccn2)c1	1322510700	VJCJISUHKXZFMX-UHFFFAOYSA-N	323.312	1.073	50	20	DDGD	
COc1cccnc1CC(=O)NNc1ccc(C(C)(C)C)nn1	1323650568	JBTDDSWXUMBEIW-UHFFFAOYSA-N	315.377	1.864	50	20	DDGD	
CC1(C)C[C@@H](C(=O)NNC(=O)CCc2ccccc2)CCO1	1335773737	SLEZLBMOJPPMQD-AWEZNQCLSA-N	304.390	1.972	50	20	DDGD	
O=C(NNc1ccc(-n2cccn2)nn1)N[C@@H]1CCC[C@@H](F)C1	1332092958	HBJKBCQWXWFSGX-GHMZBOCLSA-N	319.344	1.569	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CC[C@]2(CCOC2=O)C1	1337667142	NFCFOYAOLABEKR-GQPJMJRUSA-N	312.325	1.465	50	20	DDGD	
COC1(OC)CC(CNC(=O)/C(C#N)=C/c2ccc(O)cc2)C1	1339384728	HMNCJFWWZYDRDN-VGOFMYFVSA-N	316.357	1.814	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@]2(F)CCOC2)ccc1F	1330803452	BFNQACSFDMPKMZ-ZDUSSCGKSA-N	300.261	1.184	50	20	DDGD	
CCNC(=O)CN1CCN(C(=O)C2CCC(Cl)CC2)CC1	1346258467	ASQWBDYEAFZKHB-UHFFFAOYSA-N	315.845	1.064	50	20	DDGD	
O=C(O)COc1cccc(C=NNC(=O)C2CCOCC2)c1	1262038438	MPQCXFPWVXJWMD-UHFFFAOYSA-N	306.318	1.027	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)C2CCOCC2)C[C@@H]1C	1349838563	IMFGNUZJFBNVJP-SMDDNHRTSA-N	310.394	1.885	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CCc1cccc(O)c1	1352178861	LSLXJDXWTOWPFD-UHFFFAOYSA-N	324.377	1.261	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@H]1CNC(=O)NNc1ccccn1	1357749821	DWLORUCFWXURAT-NSHDSACASA-N	321.381	1.717	50	20	DDGD	
CNC(=O)NNC(=O)[C@@H]1CCCCN1Cc1cccc(F)c1	1519020540	MZUAHDMLLBKTHR-ZDUSSCGKSA-N	308.357	1.140	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2cccc(C(=O)O)c2)c1	1607856264	GAFQHFALWQDCRT-UHFFFAOYSA-N	313.313	1.775	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cccn2C)cc(C(=O)O)c1	1600270739	OGLGYYMAYGOQLR-UHFFFAOYSA-N	316.317	1.498	50	20	DDGD	
C[C@@H](CN1CCCC1=O)NC(=O)NNc1cccc(C(=O)O)c1	1609742859	USMFBSCRSADWBA-JTQLQIEISA-N	320.349	1.022	50	20	DDGD	
COc1cccc(C(=O)NNc2cccc(F)c2C(=O)O)c1O	1607305764	VZICMHGKDBCHSR-UHFFFAOYSA-N	320.276	1.995	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)Nc1cncc(F)c1	1606857384	FTHZZROYTLDUQR-UHFFFAOYSA-N	314.284	1.549	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1C(=O)O	1600455490	OSAFYXLODROGPO-GXSJLCMTSA-N	321.333	1.271	50	20	DDGD	
COC(C)(C)CCNC(=O)NNc1ccc(CC(=O)O)cc1	1606656737	QBLLKDXHPTXRQD-UHFFFAOYSA-N	309.366	1.755	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H](O)c2ccccc2)cc1F	1602384978	NYXMYZIUGSGOHP-ZDUSSCGKSA-N	304.277	1.701	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=CC[C@H](C)C(=O)O	1605714213	IZYQQSQUXSEHAO-NSHDSACASA-N	308.334	1.677	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNc1ccc(CC(=O)O)cc1	1603448410	BVVCTMNJXNABBT-UHFFFAOYSA-N	323.349	1.282	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1	1601045348	AYHJOTSZFJKROM-IJBAECSFSA-N	300.314	1.669	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2ccoc2C(=O)O)cc1	1610343645	DHDNIOAOJBPWFQ-UHFFFAOYSA-N	318.285	1.516	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)NN=Cc1ccc[nH]1	1549317720	VZSGUJZEISWUOA-GXTWGEPZSA-N	301.350	1.366	50	20	DDGD	
CCC(=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cl)CC)C2	1801625353	RAVONMBRHAEJOF-USZNOCQGSA-N	314.813	1.621	50	20	DDGD	
COc1cccc2cc(C(=O)NNC(=O)CCCCCN)oc12	1579293390	DLAJMYYTTHNPQQ-UHFFFAOYSA-N	319.361	1.722	50	20	DDGD	
CN[C@@H](CC(C)(C)C)C(=O)NNC(=O)Cc1ccccc1C	1578589702	GNXMVMIHIHQXIE-AWEZNQCLSA-N	305.422	1.709	50	20	DDGD	
CC(C)(C)OC(=O)CCC(=O)NNc1cccc(C(=O)O)c1	1589872207	PKSDCXKQGBIAND-UHFFFAOYSA-N	308.334	1.950	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1sccc1-c1nn[nH]n1	1581266456	ROKIFWCVGMXIPX-UHFFFAOYSA-N	316.350	1.780	50	20	DDGD	
COCC1(C(=O)N2CC3(CCCN3C(=O)[C@@H](F)Cl)C2)CC1	1843362433	UVYSEGKHQKSJDT-SNVBAGLBSA-N	318.776	1.151	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C\c1cc(-c2nn[nH]n2)cs1	1590648978	FQWMNBKLIYPMOJ-YHYXMXQVSA-N	309.376	1.617	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H]2C[C@H](C(=O)O)C2)cc1	1592426528	UTZQBMMAMWOLMB-YICMYOCQSA-N	314.341	1.972	50	20	DDGD	
O=C(O)Cn1cc(C=NNC(=O)c2ccnnc2)c2ccccc21	1776081590	VQIPONTWVBXESU-UHFFFAOYSA-N	323.312	1.280	50	20	DDGD	
C[C@@H](NC(=O)/C(C#N)=C/c1c(C(=O)O)cnn1C)c1ccccc1	1776117697	FZYJZGFUAIQRFC-KAQJVSAMSA-N	324.340	1.903	50	20	DDGD	
Cc1ccc(C)c(C(=O)NNC(=O)Cn2nc(C)cc2C)c1	5704544	HZNJOBCPBUXHKB-UHFFFAOYSA-N	300.362	1.578	50	20	DDGD	
CNS(=O)(=O)c1cc(C(=O)NNc2ccc(C)cc2)c(C)o1	158724780	XVUCLGMMWLQQIJ-UHFFFAOYSA-N	323.374	1.561	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2cnc3sccn3c2=O)c1	152443618	PIDPQPHXUYIRKA-UHFFFAOYSA-N	311.326	1.385	50	20	DDGD	
CC(C)CSCCCNC(=O)NNC(=O)Cc1ccncc1	153344874	QALAHOXVFGJQRS-UHFFFAOYSA-N	324.450	1.734	50	20	DDGD	
C[C@H](O)C[C@H](CNC(=O)NNc1ncccn1)c1ccccc1	155418109	MBDHFCGUVYAMJZ-GXTWGEPZSA-N	315.377	1.657	50	20	DDGD	
CNC(=O)CCCN(C)/C(=C/C#N)c1ccc([N+](=O)[O-])cc1	154660305	ZXWFCHLRGIAVFW-NTEUORMPSA-N	302.334	1.917	50	20	DDGD	
C[C@@H](C(=O)N(C)NC(=O)OCc1ccccc1)n1cccn1	862287812	ZTAIIPPONMCFGO-LBPRGKRZSA-N	302.334	1.744	50	20	DDGD	
O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)[C@@H](F)Cl	2088604337	FJJYZTRXEVBQLF-CYBMUJFWSA-N	314.744	1.561	50	20	DDGD	
COc1ccc(OC)c(CN2CCN(C(=O)CCl)CC2)c1	1320466384	JAUAKISKAOJCPU-UHFFFAOYSA-N	312.797	1.587	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCC2CCN(C)CC2)n1	171378227	YSJMTGQAHNTACV-UHFFFAOYSA-N	306.414	1.451	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NOCc2ccccc2)c1	103507311	AZRZCWLJMCHQGX-UHFFFAOYSA-N	310.313	1.634	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNC(=O)COc1cc(C)cc(C)c1	119747663	MUZVFYAEMANMBP-MRXNPFEDSA-N	308.378	1.381	50	20	DDGD	
CCCSCC(=O)NNC(=O)Cn1ccc2ccccc21	104632236	PJYIHMSSHVDBEH-UHFFFAOYSA-N	305.403	1.932	50	20	DDGD	
CC(C)C[C@@H]1CCCN1C(=O)NNC(=O)Cc1cccnc1	103518547	YDZMITQDWFURSF-AWEZNQCLSA-N	304.394	1.875	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C1CCOCC1	25169614	HCAHRPRQEXVMRO-JTQLQIEISA-N	310.325	1.167	50	20	DDGD	
COCCn1cc(C(=O)NNc2ncccn2)c2ccccc21	57431265	MRRCIZCWAXYOLK-UHFFFAOYSA-N	311.345	1.835	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1ccnc(Cl)c1	66775772	OEZJBWJDUANSOZ-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
Cc1cc(NNC(=O)CCCNC(=O)c2ccsc2)ncn1	172281480	LPRUYDGMXNNZPU-UHFFFAOYSA-N	319.390	1.500	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C2(N(C)C)CCC2)c1	119303704	UXYPSMUEMFYRJN-UHFFFAOYSA-N	319.405	1.314	50	20	DDGD	
O=C(NC[C@@H]1C[C@@H]2CC[C@@H]1C2)NNC(=O)c1ccccc1O	171232387	BNYONLFMOGCQEU-UTUOFQBUSA-N	303.362	1.772	50	20	DDGD	
CCN1CCC[C@H]1CNC(=O)NNC(=O)c1ccccc1OC	175379524	RJLGOXVTOLQSND-LBPRGKRZSA-N	320.393	1.124	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2Cc3cc(F)ccc3O2)nc(C)n1	173833695	YFCSCHDUOWFRJJ-ZDUSSCGKSA-N	302.309	1.679	50	20	DDGD	
O=C(NNc1ccc(F)cc1Br)[C@@H]1COCCO1	178912895	ZEMOHBTULUSMPJ-JTQLQIEISA-N	319.130	1.447	50	20	DDGD	
CC(C)[C@@H]1CN(S(=O)(=O)CBr)CCCO1	307100044	SLZGBZJVPYUXJZ-VIFPVBQESA-N	300.218	1.416	50	20	DDGD	
CCCN(CC)c1ccc(C(=O)NNc2cccnn2)cn1	172369245	CYEHHFHTOQFSDD-UHFFFAOYSA-N	300.366	1.865	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H](C)c1c(C)noc1C	67430275	XGWSAGZPXCQQFG-VIFPVBQESA-N	317.345	1.865	50	20	DDGD	
COC(=O)c1ccc(CCC(=O)NNC(=O)CC(C)(C)C)cc1	69211081	XTHLJQLUGJWTFM-UHFFFAOYSA-N	320.389	1.989	50	20	DDGD	
Cc1cc(C)cc(CCC(=O)NNC(=O)Cc2cc[nH]n2)c1	186084587	JRIQMRHEPJITHD-UHFFFAOYSA-N	300.362	1.349	50	20	DDGD	
O=C(NNC(=O)c1cccc2nn[nH]c12)c1cc2ccccc2o1	188301727	ZVHFUDSBSGTQPL-UHFFFAOYSA-N	321.296	1.779	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccccc1C#Cc1ccccc1	186344236	VBZASIMEZZDNNC-UHFFFAOYSA-N	309.325	1.231	50	20	DDGD	
O=C(CCc1ccc(O)cc1)NNC(=O)NCc1ccco1	183603695	KJNGBPFORNVZOH-UHFFFAOYSA-N	303.318	1.448	50	20	DDGD	
CC(C)Oc1cccc(C(=O)NNC(=O)c2ccc(C#N)cc2)n1	122045134	YRPHFRSAGPEXDS-UHFFFAOYSA-N	324.340	1.815	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CC[C@H]2[C@H](CCCN2C2CC2)C1	126568942	JHTKBXODMRHEMG-OCCSQVGLSA-N	322.453	1.722	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)N(C)C)cc1	213376454	MQQHWBKDLNDDFZ-NASPGAHYSA-N	302.330	1.622	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)CCc2ccoc2)c1	181147540	PJGDDFTVDGXGEN-UHFFFAOYSA-N	308.359	1.759	50	20	DDGD	
NC(=O)c1ccc(F)c(NC(=O)NNC(=O)c2ccccc2)c1	181733700	BEMJNBMHOSUTNZ-UHFFFAOYSA-N	316.292	1.391	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C(=O)Nc2nc(C)cs2)c1	187858479	DQLOKSGAQUJILE-UHFFFAOYSA-N	324.337	1.681	50	20	DDGD	
C[C@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)CCl)C1	323357290	VTFWLWLGAZYWFH-ZDUSSCGKSA-N	316.854	1.966	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CSCc2ccncc2)n1	48316550	LFRPMAWLVQDYAC-UHFFFAOYSA-N	303.391	1.865	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H](C)c2ccc(C#N)cc2)n1	47052368	OXGFCZBZJAWGLA-JTQLQIEISA-N	312.333	1.744	50	20	DDGD	
CCS(=O)(=O)CC(=O)NNc1ncc(Cl)cc1Cl	133153979	SUPQMZLOPDDZBL-UHFFFAOYSA-N	312.178	1.266	50	20	DDGD	
COCCCCNC(=O)NNC(=O)COc1cc(C)ccc1C	46735424	CRNLOZXLHXSBPB-UHFFFAOYSA-N	323.393	1.439	50	20	DDGD	
C=C(Br)CNC(=O)NNc1nc2ccccn2n1	191691954	NEKWNXPJKKFYEQ-UHFFFAOYSA-N	311.143	1.264	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)[C@@H]1CCCc2cccnc21	193225842	JQNRMUJULDYLNF-SNVBAGLBSA-N	309.333	1.311	50	20	DDGD	
N#C/C(=C\c1nccn1CC(F)(F)F)S(=O)(=O)NC1CC1	195309507	OVNRIBCORMBBHC-WEVVVXLNSA-N	320.296	1.392	50	20	DDGD	
C[C@H](CCc1ccccc1F)C(=O)NNc1nccn(C)c1=O	267226214	OTPKJZBBQNUQKW-LLVKDONJSA-N	318.352	1.631	50	20	DDGD	
COCCC1(C(=O)NNC(=O)COc2ccc(F)cc2)CC1	269464771	XEDRRYBZZJKHCM-UHFFFAOYSA-N	310.325	1.169	50	20	DDGD	
C[C@H]1CC[C@@H](CC(=O)NNc2nc(O)c3cnn(C)c3n2)C1	269287673	DBNIMZKBANQWLK-DTWKUNHWSA-N	304.354	1.338	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ccc(C#N)cc2)CCCC1	269595200	UEEONGJRWIANSH-UHFFFAOYSA-N	307.375	1.359	50	20	DDGD	
CCOC(=O)N1CCC[C@@H](C(=O)NNc2cccc(OC)n2)C1	272520553	LESLGAFSQYDYGK-LLVKDONJSA-N	322.365	1.402	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N2CC[C@@H](c3ccco3)C2)cc1	365231882	ZYFRNMNWWAEKCA-CQSZACIVSA-N	324.340	1.995	50	20	DDGD	
C=CCOc1cccc(NC(=O)C(=O)NNC(=O)C2CCC2)c1	274032702	DCIBGFAPBQSMCG-UHFFFAOYSA-N	317.345	1.137	50	20	DDGD	
C[C@H]1C(=O)CC[C@H](C(=O)NNC(=O)Cc2cccnc2)C1(C)C	275770696	GXBWUUJABRYNKL-WCQYABFASA-N	317.389	1.413	50	20	DDGD	
CC1(C)OCC(C)(C(=O)NNc2ccccc2[N+](=O)[O-])CO1	271820493	AFGBBCYGHOPKTO-UHFFFAOYSA-N	309.322	1.827	50	20	DDGD	
O=C(Cc1ccc2[nH]ncc2c1)NNC(=O)NC1CCCC1	279730285	VWRAMUBELPEELB-UHFFFAOYSA-N	301.350	1.378	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(F)(F)C2(O)CCCC2)s1	279118940	ACIANCPCCMLUSX-UHFFFAOYSA-N	318.345	1.758	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)CC(C)C	273253154	ANEDMIKIWQCXFI-UHFFFAOYSA-N	310.310	1.802	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNc1ncc(C(=O)OCC)c(C)n1	272248117	YVQJVAFOBBROIY-LLVKDONJSA-N	322.365	1.386	50	20	DDGD	
CN(C)CCc1ccccc1NC(=O)NNC(=O)C(C)(C)C	275599893	GPPMCJGGMJDLGB-UHFFFAOYSA-N	306.410	1.990	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc2c(nc1O)CCCCC2	272706590	WJICIXPNCPDDIQ-UHFFFAOYSA-N	306.366	1.362	50	20	DDGD	
CC(C)C[C@H](CO)NC(=O)NNC(=O)CCOc1ccccc1	272212469	QKMCXAFGQPLDIX-CYBMUJFWSA-N	323.393	1.193	50	20	DDGD	
C[C@@H]1OCC[C@]1(O)CNC(=O)/C(C#N)=C\c1ccc(F)cc1	279590098	VAROWSPDJMOURW-GFPWBYKUSA-N	304.321	1.389	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnn(-c2ccccc2)c1C	272685585	OYMXGHVXZJVAFL-UHFFFAOYSA-N	301.350	1.487	50	20	DDGD	
CCSc1cccc(NC(=O)C(=O)NNC(=O)C2CC2)c1	274027528	GNHCIKVKKDTIKJ-UHFFFAOYSA-N	307.375	1.295	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)CCc2nc(N(C)C)no2)c1	275666890	OGQMHJXXOQQDKB-UHFFFAOYSA-N	303.366	1.828	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@H]1CCn2ccnc2C1	376445224	ALKZVVWHCKBVKM-LBPRGKRZSA-N	312.377	1.646	50	20	DDGD	
CC(C)(C(=O)NNc1cc(Cl)ccn1)S(=O)(=O)C1CC1	285523830	GWFRGGWGWPWOBL-UHFFFAOYSA-N	317.798	1.534	50	20	DDGD	
Cc1nc(-c2ccc(C(=O)NNC(=O)C(C)(C)O)cc2)cs1	282145404	CIVVPFFNGKIRCH-UHFFFAOYSA-N	319.386	1.650	50	20	DDGD	
CCOC(=O)CC(C)(C)CC(=O)NNC(=O)Cc1cccnc1	288802636	FIRBNAMMTOJEIL-UHFFFAOYSA-N	321.377	1.141	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cncs2)c1C	287737880	FQFXKTCAYNFUGA-NSHDSACASA-N	319.386	1.988	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NC1(c2nnc[nH]2)CCC1	280839996	QFBACIROSRDWLU-XYOKQWHBSA-N	309.329	1.613	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NNc2nccnc2C2CCC2)C1	286854990	BKHARNJUJQXPCB-ZDUSSCGKSA-N	317.393	1.446	50	20	DDGD	
Cc1[nH]c(C(=O)NNC(=O)CC2CC2)c(C)c1C(=O)OC(C)C	294232799	RPOVNWPTGDINFO-UHFFFAOYSA-N	321.377	1.758	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@]2(C#N)CC23CCCC3)n1	295481458	ZTPZOVFHIZVYLN-OAHLLOKOSA-N	301.350	1.711	50	20	DDGD	
CSSCCNC(=O)c1nnn(-c2ccn(C)n2)c1C	294273658	PHZRBIFYEPIVHF-UHFFFAOYSA-N	312.424	1.050	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)Nc1ccsc1	806344188	BZAGODXFKKOPEP-UHFFFAOYSA-N	301.335	1.872	50	20	DDGD	
N#CC[C@H](CC(=O)NNC(=O)N=c1cc[nH]cc1)c1ccccc1	802036245	RVGRYXQVSKBBMJ-CQSZACIVSA-N	323.356	1.744	50	20	DDGD	
CC(C)Cc1ccc(C(=O)NNC(=O)N2CCN(C)CC2)cc1	807380221	RMGIXMQHOVIOIR-UHFFFAOYSA-N	318.421	1.487	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)c2cc3ccccc3cc2O)co1	801600877	VJOCLNOSDSJMFF-UHFFFAOYSA-N	311.297	1.917	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H]2Cc3cc(Cl)ccc3O2)O1	294347263	UJQGCDUSEOASRA-AQUOVQTQSA-N	324.764	1.358	50	20	DDGD	
COc1cc(CC(=O)NCC(Cl)Cl)cc(OC)c1O	294414646	OEBPRFBNOYFLEE-UHFFFAOYSA-N	308.161	1.872	50	20	DDGD	
CC(C)O[C@@H](C(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccc1	295374775	KGOIWJLJVSEDQA-LSDHHAIUSA-N	320.389	1.869	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(C(F)(F)F)cn2)O1	293909029	ACUHLNWKCRSXTD-XVKPBYJWSA-N	317.267	1.429	50	20	DDGD	
C[C@H]1[C@@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)CCS1(=O)=O	293849626	UWVOBPBMTMAPFF-SZVJIJLYSA-N	322.361	1.424	50	20	DDGD	
O=C(NNC(=O)[C@@H]1Cc2ccccc2C(=O)O1)NC1CCCC1	299363704	TUXPKHDJOAWVDW-ZDUSSCGKSA-N	317.345	1.041	50	20	DDGD	
Cc1ccc2cc(C(=O)NNC(=O)[C@@H]3CC[C@H](C)O3)ccc2n1	293813064	DSIACWHDDFTEMW-NHYWBVRUSA-N	313.357	1.872	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@@H]1CCCc2cn[nH]c21	297231513	ICERKPWPCSSFHZ-SNVBAGLBSA-N	308.292	1.787	50	20	DDGD	
CC[S@](=O)CC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	294993288	ZEPMPYOLPVSUCX-IBGZPJMESA-N	305.743	1.460	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)Nc1cccc(C2CCC2)c1	291882692	VVVVAOLNOJHBKC-UHFFFAOYSA-N	315.373	1.840	50	20	DDGD	
COc1ccc(C(=O)NNc2ncc(F)cn2)c(C)c1OC	804515935	NILSGOONGUJKGH-UHFFFAOYSA-N	306.297	1.698	50	20	DDGD	
COc1ccc(C)cc1NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	292747620	JPPBAPCGOPYXFZ-GWCFXTLKSA-N	307.350	1.724	50	20	DDGD	
Cc1cccc([C@H](CC(=O)NNC(=O)CC2CC2)NC(N)=O)c1	819125921	FZKFHPWKXSLWCF-ZDUSSCGKSA-N	318.377	1.042	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CCCC2CC2)cc1C	812535412	ZVJIOHDXRLWFBE-UHFFFAOYSA-N	317.389	1.970	50	20	DDGD	
CCOC1CC(=NNC(=O)C(=O)Nc2ccc(C)c(C)c2)C1	814768729	KJHNXIUYJFAGTI-UHFFFAOYSA-N	303.362	1.913	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@H]1CN2CCCN1CC2	812768015	ASLZMRCQCLZJCL-MRXNPFEDSA-N	316.449	1.951	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1c(F)ccc(O)c1F	814951858	ZEADDZXYTJEJQJ-UHFFFAOYSA-N	322.267	1.905	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCCO[C@@H](C(C)C)C1	815312840	KRXROIIKKJSXFT-ZIAGYGMSSA-N	313.442	1.315	50	20	DDGD	
Cc1cc(C)n(-c2ccc(C(=O)NNc3cnnn3C)cc2)n1	816769457	JCWFBZJOSSVGNJ-UHFFFAOYSA-N	311.349	1.375	50	20	DDGD	
CC(=NNC(=O)c1c[nH]nc1C)[C@@H]1C[C@H](CC(=O)O)C1(C)C	814851934	BJXLSRWTLFNJOC-PWSUYJOCSA-N	306.366	1.961	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)CNc2ccccc2)n1C	814711405	IKCOTLAWDOZVMJ-UHFFFAOYSA-N	314.345	1.374	50	20	DDGD	
COc1cc(C(C)=NNC(=O)Cc2ccccc2OC)on1	814813240	WWLHWYVJMMFRDD-UHFFFAOYSA-N	303.318	1.775	50	20	DDGD	
Cn1cc(C=NNC(=O)CCSc2ccc(F)cc2)c(O)n1	814214512	BIUPDNMXDSCGPG-UHFFFAOYSA-N	322.365	1.897	50	20	DDGD	
CO[C@@](C)(CNC(=O)NNC(=O)Cc1ccccc1C)C1CC1	812922540	FZNPFDSZVQTXGC-KRWDZBQOSA-N	319.405	1.683	50	20	DDGD	
Cc1nnsc1C=NNC(=O)c1cc(Br)c[nH]1	814217249	YMZDJNAZCVFNJL-UHFFFAOYSA-N	314.168	1.701	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3	816771444	MSKAJJGHGQNMAR-UHFFFAOYSA-N	310.361	1.932	50	20	DDGD	
O=C(NNC(=O)C1C2CC3CC(C2)CC1C3)c1ccnnc1	817692510	RDQOGOOLXIIPHD-UHFFFAOYSA-N	300.362	1.310	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)N[C@H]2CO[C@@H](C)C2)cc1	827611781	CKMMGNMCTWLZDE-WCQYABFASA-N	321.377	1.136	50	20	DDGD	
CCc1cnccc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	825734689	MGJVBDQFJLGIKQ-UHFFFAOYSA-N	309.333	1.581	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc(Cl)cn1	826447179	RPAYRDVXEWJKLS-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
CC(C)(C)OC(=O)NCCC=NNC(=O)Cc1ccncc1	493872950	IYGPZWIXFRUOKO-UHFFFAOYSA-N	306.366	1.641	50	20	DDGD	
CC(C)CC(CC(C)C)C(=O)NNC(=O)C(=O)N1CCCC1	822896423	MTQYZYBSFLOOFC-UHFFFAOYSA-N	311.426	1.465	50	20	DDGD	
O=C(/C=C/[C@@H]1CCOC1)NN=c1nc(-c2ccccc2)[nH]o1	493018271	JZPGYATZPPHKIC-XUIVZRPNSA-N	300.318	1.194	50	20	DDGD	
CC(C)[C@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C1(CO)CCC1	491161387	OEWBWAGTMYUFAS-GSHXUFRSSA-N	316.405	1.630	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)ccc1C(=O)NNc1ccnc(F)c1	826249533	HNSADHNMYGWRBE-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
CNC(=O)/C(C#N)=C\c1ccc(C(=O)OC)cc1Br	490944352	WAESNUOMPLTVOP-YHYXMXQVSA-N	323.146	1.889	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccc(O)cc2O)cc1	829878796	CUBIYDGIBRYQSF-UHFFFAOYSA-N	316.313	1.246	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@H](C)OCC1CC1	822728450	SRSBACMVYVGZTF-VIFPVBQESA-N	310.325	1.871	50	20	DDGD	
CC(C)(C)c1n[nH]c(CNC(=O)[C@]2(C)C[C@@H]2Br)n1	820103161	YPGXSTKUBGPODA-JVXZTZIISA-N	315.215	1.892	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)c2ccc3c(c2)OCO3)ncn1	825854714	NJDHIIZLGNFZEK-SNVBAGLBSA-N	300.318	1.761	50	20	DDGD	
CCc1noc(C)c1C(C)=NNC(=O)CNC(=O)OC(C)(C)C	494538280	GKNBZROVCUYVMN-UHFFFAOYSA-N	324.381	1.910	50	20	DDGD	
CC(C)(C(=O)NNC(=O)C1(C(=O)C2CC2)CC1)c1ccccc1	823209639	VYLVTHYMLSUMQD-UHFFFAOYSA-N	314.385	1.871	50	20	DDGD	
CC(=O)N1CC[C@@H](NC(=O)/C(C#N)=C/c2ccc(F)cc2)C1	490848303	ZZZIREQBBVPBEJ-XETPBLJFSA-N	301.321	1.470	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CSCc1cccc(Cl)c1	823988133	PNTXMNWYITZFDI-SNVBAGLBSA-N	302.827	1.917	50	20	DDGD	
C[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)CNC(=O)OC(C)(C)C	494555945	SJFWGGJEBWCRAH-ZJUUUORDSA-N	314.386	1.030	50	20	DDGD	
Cn1ccc(/C=C(\C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)n1	826362941	PAOKCBOFCNJFJT-XYOKQWHBSA-N	305.301	1.390	50	20	DDGD	
COCCN(C(=O)/C(C#N)=C/c1cnn(C)c1)[C@@H]1CC[C@H](C)C1	491135819	UXIKVSWLLDHZAZ-LCESUFGFSA-N	316.405	1.991	50	20	DDGD	
C[C@@H]1SCC[C@H]1NC(=O)NNC(=O)COCc1ccccc1	826055810	LBZILGVOAISWLM-WCQYABFASA-N	323.418	1.428	50	20	DDGD	
COc1ccc(C2(CNCc3ccc(B(O)O)cc3)CC2)cc1	585031408	ULYBGSZWWNIVRG-UHFFFAOYSA-N	311.190	1.196	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)cc1	908051179	JPKZXBLENFYFBY-CYZMBNFOSA-N	303.318	1.073	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2ccnn2CCN(C)C)c1	901168529	GJSGWZQUQZMIPN-UHFFFAOYSA-N	321.356	1.349	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)NNC(=O)CC(C)(C)C)C1	739667991	FTLRBKLYCJFKTD-PHIMTYICSA-N	305.444	1.266	50	20	DDGD	
CC1(C)CCN(C(=O)[C@@]2(C)C[C@@H]2Br)CC[S@@]1=O	909222370	WJMFXPITTPVVQN-OVSFNBESSA-N	322.268	1.920	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)C1(C(F)(F)F)CCCCC1	584911540	IZTIKVDLLXZNFS-UHFFFAOYSA-N	315.100	1.818	50	20	DDGD	
CC(C)[C@@H]1N(C(=O)c2cccc(B(O)O)c2)CC12CCCC2	584999062	IIGSQJPDFZVQJQ-HNNXBMFYSA-N	301.195	1.407	50	20	DDGD	
C[C@H](CNCc1ccc(B(O)O)cc1)Oc1cccc(F)c1	585025955	AIPDCPXPVHZELW-GFCCVEGCSA-N	303.142	1.063	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)CNc2ccc(OC)cc2)n1	834919718	BFBWSTSZSQMWIF-UHFFFAOYSA-N	316.365	1.177	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCC[C@H]2CCCN(C)C2)n1	838768153	AXITYLIZIYBMDC-GFCCVEGCSA-N	322.413	1.152	50	20	DDGD	
CC[C@@H](C)[C@@H](C=NNC(=O)c1cncc(NC(C)=O)c1)OC	834964408	CEMLQLWMUBNFRV-QMTHXVAHSA-N	306.366	1.817	50	20	DDGD	
C[C@H](OC[C@H]1CCCCO1)C(=O)NNc1cccc(C(=O)O)c1	833536228	PSIXEZYUAYBLSV-SMDDNHRTSA-N	322.361	1.802	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ccccc1S(C)(=O)=O)N(C)C	732303775	KUXGSWSSJKXJEE-CYBMUJFWSA-N	313.423	1.119	50	20	DDGD	
C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1C(=O)c1cccc(B(O)O)c1	584990867	MXFPETHTGYOTTE-GLJUWKHASA-N	323.201	1.773	50	20	DDGD	
CC[C@H](C)N(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	839511895	GTSGMKYVQKOMDF-JTQLQIEISA-N	308.338	1.086	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@]1(C)CCCCO1	837318325	ZHKQRDJBEKNKQF-INIZCTEOSA-N	316.361	1.363	50	20	DDGD	
COC[C@](C)(NC(=O)[C@H](Br)C(C)(C)C)C(=O)O	909363005	PUVVOWGPINMBCM-CPCISQLKSA-N	310.188	1.402	50	20	DDGD	
O=C(N[C@@H]1CCCc2sccc21)c1cc(B(O)O)ccc1F	584976155	RIERYBKDYDIVKF-CYBMUJFWSA-N	319.166	1.374	50	20	DDGD	
CC(C)[C@H](NCC(=O)NNC(=O)C(C)(C)C)[C@H](CO)C(C)C	831664021	OIXLXVIUIRVRRS-OCCSQVGLSA-N	315.458	1.059	50	20	DDGD	
O=C(NNc1ccncn1)N[C@@H]1CCN(c2ccccc2F)C1	836470762	ZDNIDVRAULZGPV-LLVKDONJSA-N	316.340	1.521	50	20	DDGD	
CCc1ccc(C=NNC(=O)[C@H](C)CN2CCOCC2)s1	731150821	IHGDHYIFOIVQRM-GFCCVEGCSA-N	309.435	1.729	50	20	DDGD	
OB(O)c1ccc(CNC[C@H]2[C@H]3c4ccccc4CC[C@H]32)cc1	585027894	AJXFVTXSJVNXKZ-OTWHNJEPSA-N	307.202	1.432	50	20	DDGD	
Cc1oc(-c2ccccc2)nc1C(=O)N1CC[C@H](B(O)O)C1	585073988	HJMSSCNXBQIYAQ-LBPRGKRZSA-N	300.123	1.339	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	837408207	NQPBXKHPCCPPMJ-WCQGTBRESA-N	312.329	1.795	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2O[C@H](C)C[C@H]2C)cc1F	837057549	GNMSTGAEHMDVMW-JRKPZEMJSA-N	310.325	1.869	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2ccc(Br)cn2)n[nH]1	733744855	UHJUTJFUNCGCKR-UHFFFAOYSA-N	322.166	1.568	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1nc2cc(OC)c(OC)cc2[nH]1	732746788	GJVUVIYRMABHRJ-CMDGGOBGSA-N	316.317	1.963	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)O)ccc1Br	832022298	QGNJYRLLAYBDPZ-UHFFFAOYSA-N	304.100	1.762	50	20	DDGD	
C[C@@H]1C[C@H]1CNC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836219076	BMHIBBJEHXFULL-BDAKNGLRSA-N	306.322	1.407	50	20	DDGD	
C[C@]1(C(=O)N2CC[C@@H](N3CCOC3=O)C2)C[C@H]1Br	912401259	RUFJYEHRUHVHNV-LNLATYFQSA-N	317.183	1.213	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CCc2ccccc2)cn1	749918222	FIROMKFHTXENLY-UHFFFAOYSA-N	314.345	1.876	50	20	DDGD	
CCCCOc1ccc(C=NNC(=O)C(=O)NC2CC2)cc1	744823785	GJKUJNGIQNWDTO-UHFFFAOYSA-N	303.362	1.594	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C(=O)N2CCCC2)c1C	748152451	UFYNZKPZJHEPNV-UHFFFAOYSA-N	320.418	1.243	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H](CN)CC(C)C)c1	841954324	QLFURYNMTSJLLO-ZDUSSCGKSA-N	308.382	1.473	50	20	DDGD	
Cn1ncc(C2CC2)c1CNS(=O)(=O)CCCCCl	849460996	SBCRRAXEROKLPL-UHFFFAOYSA-N	305.831	1.736	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cc(-c2ccncc2)on1	917663010	KLFXPYOGSKWNPJ-UHFFFAOYSA-N	300.318	1.688	50	20	DDGD	
O=C(NNc1ccc(Br)cc1F)[C@]1(O)CCOC1	840401043	CHHWRJQMMOOSDC-NSHDSACASA-N	319.130	1.183	50	20	DDGD	
Cc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843641014	FCHLWENFDYIHOU-ZJUUUORDSA-N	307.306	1.089	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)COC[C@@H]2CCCO2)cc1	846374279	NKSCFVAYEALZEM-AWEZNQCLSA-N	322.361	1.041	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(Cl)nc(Cl)c1	843643022	BWJMLPDHAWRMAX-HTRCEHHLSA-N	318.160	1.574	50	20	DDGD	
C[C@H](OC1CCCCCC1)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843656146	XNVKROWQFGMKOW-DYEKYZERSA-N	312.410	1.687	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1c[nH]c2ccccc12)c1cnn(C)c1	749873907	GNMSXALPOIGPQF-SNVBAGLBSA-N	311.345	1.466	50	20	DDGD	
COc1cc(/C=C(\C#N)C(N)=C(C#N)C#N)ccc1OCC(=O)O	916138136	RMRFEHBNTUGJHV-NYYWCZLTSA-N	324.296	1.326	50	20	DDGD	
O=C(NCC1CCNCC1)NNC(=O)c1ccc(Cl)cc1	841924597	YQWHMMOZWPSZIS-UHFFFAOYSA-N	310.785	1.284	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc(-n2cccc2)c1	843649242	UCMGXPJMCSEXSH-IUODEOHRSA-N	313.357	1.663	50	20	DDGD	
CCS(=O)(=O)CC(=O)NNc1ncnc(Cl)c1C(C)C	840548406	HKGWTIZCPKQYDP-UHFFFAOYSA-N	320.802	1.131	50	20	DDGD	
O=C(NN=C[C@H]1CCOC1)c1cc(Br)ccc1O	741769195	VMLSETOFNIPYPB-MRVPVSSYSA-N	313.151	1.907	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cn(C(C)C)nc2C)n1	847541645	INRBCORSGOUUMB-UHFFFAOYSA-N	304.354	1.636	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2ccnc(N(C)C)n2)n(C)n1	746692031	MEIHWCGXTBPUKO-UHFFFAOYSA-N	303.370	1.156	50	20	DDGD	
CC(C)OCc1cccc(NC(=O)NNC(=O)CCCN)c1	841079818	OUXVGUVKFJKIPK-UHFFFAOYSA-N	308.382	1.503	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)NC1CC1)N1CCc2ccccc21	847392112	LYQIRAGHMMHKES-NSHDSACASA-N	302.378	1.321	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CSc1ccc(F)cc1	843649830	XUFMZZJVOMKORU-CABZTGNLSA-N	312.366	1.490	50	20	DDGD	
CCOc1ccc(C=NNC(=O)[C@H](C)CN2CCOCC2)cc1	916363650	XFTCOWRMHGLYQW-CQSZACIVSA-N	319.405	1.504	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCO2)c1cc(O)ccc1O	916289171	CQVIVAWTTANNFC-UHFFFAOYSA-N	314.297	1.981	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1cc2ccccc2o1	842592143	JFBVCFABRAHMQK-ONGXEEELSA-N	324.358	1.167	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1c2ccccc2OC[C@@H]1C	744421517	IMAXZANEYBGKDP-QWHCGFSZSA-N	319.405	1.856	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)c3cccc(C4CC4)c3)nc21	847492988	BITGJHCXEMQVAH-UHFFFAOYSA-N	324.344	1.703	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@H]2CS[C@@H](C)C2)c1	840416060	JEPJNORZGGFUSQ-NWDGAFQWSA-N	323.418	1.598	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc(C(F)(F)F)nc1O	745139686	NMXRBSSMTWJNKF-UHFFFAOYSA-N	306.244	1.158	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1ccccc1F)[C@@H]1CCOC1	743655984	XCXLATZDFWKRTA-CMPLNLGQSA-N	309.341	1.124	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ncccc1F)C(=O)OC(C)(C)C	848667434	IOKLEWUDMZMOMY-VIFPVBQESA-N	312.345	1.825	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1coc2ccccc12	843658814	VZHROFOWPZLHHE-PWSUYJOCSA-N	302.330	1.548	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNc1cccc(F)c1F)C(=O)O	848589006	BSDVRPFVGXYVTL-QMMMGPOBSA-N	301.293	1.948	50	20	DDGD	
C[C@@H](C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1	920379958	CTZLPNBXCYIRDM-WCQYABFASA-N	309.391	1.262	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC1CCNCC1)c1ccccc1	841916004	VVGXRLWSKOQKNA-AWEZNQCLSA-N	304.394	1.263	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1ncncc1Cl)CC(C)C	841592924	SHDHRRMEKDFPAT-SECBINFHSA-N	301.778	1.817	50	20	DDGD	
CCC1CCN(S(=O)(=O)NNC(=O)c2ccccc2)CC1	849303968	BJGIXVSJFDDTIC-UHFFFAOYSA-N	311.407	1.288	50	20	DDGD	
CC(C)(C)n1nnc(CNC(=O)NNc2cc(Cl)ccn2)n1	848665880	PBHCIAPLVZFBLM-UHFFFAOYSA-N	324.776	1.303	50	20	DDGD	
NS(=O)(=O)C[C@@H]1CCN(C(=O)c2cccc(CCl)c2)C1	1336095032	OEDTYRWZEBALHH-LLVKDONJSA-N	316.810	1.176	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2ccc3c(c2)C(=O)OC3)CC1	759088374	DZNVSXTYXUQULX-UHFFFAOYSA-N	304.327	1.201	50	20	DDGD	
Cc1cccc(CC(=O)NNc2nccn(C)c2=O)c1Cl	754249310	SPTMNUYWWCFSHA-UHFFFAOYSA-N	306.753	1.428	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)N[C@@H]1CCO[C@H](C2CC2)C1	852256023	OHJJWBPPXBURJY-PWSUYJOCSA-N	322.340	1.122	50	20	DDGD	
CC(C)(C)OC1CC(CCNC(=O)NNC(=O)c2cn[nH]c2)C1	858398315	UGWVCHNXPGRIMK-UHFFFAOYSA-N	323.397	1.338	50	20	DDGD	
C[C@H](CNC(=O)NC[C@]1(C)C[C@H]1Br)N(C)C1CC1	856840510	RCWAVPZISYKTTO-XWIASGKRSA-N	318.259	1.942	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cccc(Cl)c1OC(C)C	756641486	IJKLPHZHPXSQMR-UHFFFAOYSA-N	315.757	1.926	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2nn(C)c(C)c2Cl)n1	857459363	KLWIVHYHTISCLD-UHFFFAOYSA-N	310.745	1.246	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)OCC(F)(F)F)c1ccccc1	856021285	CLCOZDCFFMNPSU-SECBINFHSA-N	306.240	1.694	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C1(C(F)F)CCCC1	854388667	RYEJCHDXGQLELR-UHFFFAOYSA-N	322.352	1.749	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1c(F)cccc1F	750944491	ZUNGLXZDZIAPSZ-UHFFFAOYSA-N	321.283	1.828	50	20	DDGD	
COCCOC[C@@H](C)NC(=O)NNc1cc(F)ccc1F	920488234	QJHNNZHLRFJIIW-SECBINFHSA-N	303.309	1.642	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H](C(=O)NNC(=O)OCC(F)(F)F)C1(C)C	856022692	LEZKTQPLCITVBI-SFYZADRCSA-N	324.299	1.948	50	20	DDGD	
Cc1cc(OCC(=O)NNC(=O)[C@H]2CCOC2)ccc1Cl	921199969	BQYDDAUCFAWVOO-JTQLQIEISA-N	312.753	1.211	50	20	DDGD	
C#CCCN(CCOC)C(=O)NC[C@]1(C)C[C@H]1Br	856961431	ZLJLIRIRMRDWDN-YPMHNXCESA-N	317.227	1.841	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NN=Cc1cncs1	853376017	JGEWMCVYRMNVTO-DGCLKSJQSA-N	319.390	1.495	50	20	DDGD	
C[C@@H]1CCN(C[C@H](CBr)C2CC2)[C@@H](C(N)=O)C1	859261442	NWCLWTCIMNTOGH-ADEWGFFLSA-N	303.244	1.993	50	20	DDGD	
CCNC(=O)NN=C(C)c1ccc(O)c(CN2CCOCC2)c1	920827414	KNNYCPOTXVUTHO-UHFFFAOYSA-N	320.393	1.268	50	20	DDGD	
Cc1noc(CCC(=O)NC[C@]2(C)C[C@H]2Br)n1	857401665	GKSGKFDJGRMYQV-KCJUWKMLSA-N	302.172	1.600	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H]2CC[C@H](C)O2)c1C	854127008	KVVXNYDRQYDSGB-JQWIXIFHSA-N	321.377	1.975	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=C[C@H](C)CC1CCCCC1	758107704	MDVNXDAVUHXJSS-NEPJUHHUSA-N	317.455	1.633	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cccc([C@H]2CCCN(C)C2)c1	857254086	XPWLOSZPQSFEBB-AWEZNQCLSA-N	305.378	1.839	50	20	DDGD	
Cn1cc(CC(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])cn1	751334504	CDWNMEQNJGJLRU-UHFFFAOYSA-N	309.713	1.668	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccsc1Cl	853934164	PTAOVGTZNNEHKF-ZCFIWIBFSA-N	304.755	1.504	50	20	DDGD	
Cc1nccn1CCCC(=O)NNC(=S)N[C@H](C)C1CC1	855102005	DQEXGZZCNVLUDX-SNVBAGLBSA-N	309.439	1.266	50	20	DDGD	
O=C(CC1CCCC1)NCC(=O)NNc1ccnc(Cl)c1	855468939	MUAMQUXEOOMPNH-UHFFFAOYSA-N	310.785	1.875	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CC23CCOCC3)cc1O	855568156	GODWZNBKSFNRDD-LBPRGKRZSA-N	304.346	1.278	50	20	DDGD	
COc1ccc(OC)c(NC(=O)NNC(=O)c2cccnc2)c1	755390069	RENNOHMSBYTUSM-UHFFFAOYSA-N	316.317	1.565	50	20	DDGD	
COc1ccc2c(c1)C=C(C(=O)NNC(=O)C1CCCC1)CO2	755156774	QZVKMQSHUGBNHN-UHFFFAOYSA-N	316.357	1.809	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@@H](CCO)C2CC2)cc(C#N)n1C	757073788	RDGMIFRXUIKOKW-VFXTVZEFSA-N	312.373	1.389	50	20	DDGD	
COC(=O)c1cnc(C(=O)NNc2ccc(OC)cc2)cn1	758027191	VADJZFHRVZFJNK-UHFFFAOYSA-N	302.290	1.029	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1CCCc2scnc21	863071852	AXSDXORLOZQWFP-NSHDSACASA-N	322.434	1.268	50	20	DDGD	
CCCCCn1cc(CNC(=O)NNc2cccnn2)c(C)n1	767299311	IHCZLLDUSRONNN-UHFFFAOYSA-N	317.397	1.998	50	20	DDGD	
Cc1cc(=NNC(=O)CCOCC(F)(F)C(F)F)cc[nH]1	862512097	JRIHHAUQQJEJCR-UHFFFAOYSA-N	309.263	1.562	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccccn2)c1[N+](=O)[O-]	767396565	SFLCHYDBYBCVCC-UHFFFAOYSA-N	316.273	1.073	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)CS(C)(=O)=O)C1(CC)CC	863187250	DRKYOEGJRVNUFV-LLVKDONJSA-N	304.412	1.118	50	20	DDGD	
C[C@H](O)C[C@H]1COCCN1S(=O)(=O)CC(C)(C)CCl	867115284	PBVJLKYWFOAYAT-QWRGUYRKSA-N	313.847	1.053	50	20	DDGD	
C[C@@H](NNC(=O)CC1CCC2(CC1)OCCO2)C(F)(F)F	862318626	SATCVQBUJJMKGZ-SECBINFHSA-N	310.316	1.881	50	20	DDGD	
N#Cc1cccc(NNC(=O)Nc2ccc(-n3cnnn3)cc2)c1	769931935	FWTREEJSWQXWIS-UHFFFAOYSA-N	320.316	1.683	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)CCc1ccn(C)n1	862288530	NUXKVJWWDZMHOQ-UHFFFAOYSA-N	316.361	1.653	50	20	DDGD	
COCCOCCOc1cccc(NC(=O)NN(C)C2CC2)c1	933123795	UQHNSDLWNZSSPW-UHFFFAOYSA-N	323.393	1.859	50	20	DDGD	
Cn1nncc1C=NNC(=O)c1cc(-c2cccs2)[nH]n1	764785511	GNMIXSMUSNJPPE-UHFFFAOYSA-N	301.335	1.031	50	20	DDGD	
COC(=O)c1c[nH]c2cc(NCc3ccc(B(O)O)cc3)ccc12	864045944	XKPPICJCDLQQFM-UHFFFAOYSA-N	324.145	1.246	50	20	DDGD	
Cc1csc(C(=O)NNS(=O)(=O)CCOCC2CC2)c1	863413072	BPWQRPLVEKXLPZ-UHFFFAOYSA-N	318.420	1.047	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H]2CCO[C@H](C)C2)cc1	769736194	RXSYBDRJZKUNEL-RISCZKNCSA-N	305.378	1.761	50	20	DDGD	
Cc1cnc(CC(=O)NNCC(F)(F)C(F)(F)F)s1	863097605	PZUJMPOQNRRPSL-UHFFFAOYSA-N	303.256	1.812	50	20	DDGD	
C[C@@H](NNC(=O)c1cnc(C2OCCO2)s1)C(F)(F)F	862320423	RFRTUTIYLMKEGK-RXMQYKEDSA-N	311.285	1.374	50	20	DDGD	
Cc1nnc(NNC(=O)c2cccc([C@H]3CCOC3)c2)nc1O	762192093	AZMCYKZGMVEZHE-LBPRGKRZSA-N	315.333	1.146	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)N1CCOCC1)CCCO2	763161602	HAILINIHOSCYJX-UHFFFAOYSA-N	319.361	1.614	50	20	DDGD	
CC(=NNC(=O)Cn1c(C)nc2ccccc21)c1ccnn1C	765994410	GFWCLRIORQHZSN-UHFFFAOYSA-N	310.361	1.619	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)C1(N(C)C)CC1	873852955	GYFXSSLKHAQQEC-UHFFFAOYSA-N	320.462	1.969	50	20	DDGD	
CN1CCC[C@H](OC(=O)[C@@H](Br)C(C)(C)C)C1=O	766752741	SXOYCDMMVMJECA-DTWKUNHWSA-N	306.200	1.960	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CC[C@@H](C)[C@@H](C)C2)cc1	766985565	WQHAEKAEVIBFJW-KGLIPLIRSA-N	303.406	1.734	50	20	DDGD	
COCCOCC(=O)NN=C1CC2(CCC2)Oc2ccccc21	872401880	MAMJBNOZQQGPPD-UHFFFAOYSA-N	318.373	1.875	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(C)n(-c2cccc(F)c2)n1	879120109	XZNBYDSSSPNWKO-UHFFFAOYSA-N	321.356	1.935	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(C)nn1C1CCN(C)CC1	878889492	ZHTNXUOEQZGBGH-UHFFFAOYSA-N	324.429	1.073	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1cccc(F)c1F	776259811	QHAQULSOMDQYGC-UHFFFAOYSA-N	318.283	1.839	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCc1ccc2c(c1)CCC2	1115868728	OROBZAPEUUCXOK-UHFFFAOYSA-N	315.295	1.958	50	20	DDGD	
Cc1nccc(NC(=O)NNC(=O)c2ccc(O)c(Cl)c2)n1	776496853	ZVLWAHJQRSMGBM-UHFFFAOYSA-N	321.724	1.611	50	20	DDGD	
COc1ccc(NNC(=O)C(C)(C)OC(C)=O)c([N+](=O)[O-])c1	779815682	RTHIEOWWKVLKTR-UHFFFAOYSA-N	311.294	1.388	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(Cl)ccc1F)[C@@H](C)S(C)(=O)=O	871271505	QFRLLKASUGNBFW-HTQZYQBOSA-N	322.789	1.991	50	20	DDGD	
CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)NNC(=O)C1CCC1	770837784	VYLDARVMBJIXDD-UHTWSYAYSA-N	311.426	1.957	50	20	DDGD	
CC(C)(C)[C@H](NC(=O)NNC(=O)c1ccc[nH]1)C(F)(F)F	775981738	TXJUZSCSTGRXJM-VIFPVBQESA-N	306.288	1.936	50	20	DDGD	
CN(C)[C@@H](C(=O)NNc1nc2ccccc2[nH]1)c1cncn1C	870211858	IMYNQRLUUKZZBC-CYBMUJFWSA-N	313.365	1.042	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)[C@@]1(O)CCSC1	771561790	SKDPAJHQYLDNCC-SNVBAGLBSA-N	318.196	1.155	50	20	DDGD	
CCC(=O)N(C)c1ccc(NC(=O)NNC(=O)C2CC2)cc1	881046488	DNDWJKINLZBXCR-UHFFFAOYSA-N	304.350	1.622	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@@H](C)CC(C)(C)C	772032919	PBYCWNVQJALQBM-GHMZBOCLSA-N	300.399	1.938	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)C(=O)Nc1cc(C)n(C)n1	770815187	LBFKCNYJHHVWOJ-UHFFFAOYSA-N	305.313	1.258	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)C2CCOCC2)cc1C	883722184	NPHPIENCVGSKMT-UHFFFAOYSA-N	319.405	1.603	50	20	DDGD	
CC(C)OCc1ccc(C(=O)NNC(=O)C2CCOCC2)cc1	883060837	ZEQBNFPUBZKNMN-UHFFFAOYSA-N	320.389	1.799	50	20	DDGD	
O=C(NN=Cc1cn(Cc2cccnc2)nn1)c1ccccc1O	783785999	KZDCBAINQRVQQE-UHFFFAOYSA-N	322.328	1.191	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC[C@H](C2CCC2)CC1)c1cccnn1	882055419	AXZZLIGPCYEVTK-JOCQHMNTSA-N	302.378	1.844	50	20	DDGD	
COC(=O)NNC(=O)CCCCCNC(=O)OC(C)(C)C	781885605	BLGOOLRVQMNVGU-UHFFFAOYSA-N	303.359	1.459	50	20	DDGD	
C#CCCCC(=O)NNC(=O)COc1ccc(F)c(Cl)c1	887140869	VZBLRVOQAOTIMT-UHFFFAOYSA-N	312.728	1.809	50	20	DDGD	
Cn1ccnc1CCC(=O)NC[C@@]1(C)C[C@H]1Br	1123930630	IQPASGAVGNOHTM-BXKDBHETSA-N	300.200	1.642	50	20	DDGD	
CN1CCC[C@H]1c1cc(C(=O)NNc2cccc(F)n2)n[nH]1	897750068	GFYRTPLCQBHLKQ-NSHDSACASA-N	304.329	1.467	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc(C(F)(F)F)nn1	788304171	KOVKVLWUPQEVMW-UHFFFAOYSA-N	305.260	1.694	50	20	DDGD	
O=C(NN=Cc1cccc(C=NNC(=O)C(F)F)c1)C(F)F	782230797	HWYWVVSEXCNPAA-UHFFFAOYSA-N	318.230	1.117	50	20	DDGD	
O=C(NNC(=O)c1cc2nn[nH]c2cc1F)NC1CCCCC1	789728319	ZTKRGAGDCGDMNI-UHFFFAOYSA-N	320.328	1.374	50	20	DDGD	
Cc1c[nH]cc(C(=O)NNc2cc(C#N)cc(Cl)n2)c1=O	781431002	IIIYSDBJOSPYCQ-UHFFFAOYSA-N	303.709	1.360	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NNC(=O)C(C)C)cc1Cl	782557612	ALIQHQDLWZVCHU-UHFFFAOYSA-N	312.757	1.508	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)NCc1ccc(Cl)cc1)n1cccn1	787428907	NDYOEVIWPGFHHH-JTQLQIEISA-N	321.768	1.628	50	20	DDGD	
CSC1(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)CC1	789199275	KXYVGVFBVVTMEU-SECBINFHSA-N	302.396	1.007	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@@H](C)N2CCCCC2)nc1	781002034	XFADVTCRTXITEN-GFCCVEGCSA-N	307.398	1.591	50	20	DDGD	
O=Cc1cc(F)c(OS(=O)(=O)CBr)c(F)c1	782469052	RUJSOTIKVRVCSS-UHFFFAOYSA-N	315.091	1.838	50	20	DDGD	
O=C(/C=C\SCc1ccco1)NNC(=O)C1CCOCC1	894102911	CVGRHHOCEHHVEN-UITAMQMPSA-N	310.375	1.601	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2occ3c2CCC3)c1	794809435	KWANCCYPHLUQKG-UHFFFAOYSA-N	313.357	1.909	50	20	DDGD	
C=C(CBr)CN1CCC([C@H](O)C(=O)OC)CC1	791483108	NHRWPJYEVKSSGW-NSHDSACASA-N	306.200	1.183	50	20	DDGD	
CC(C)C[C@@H]1CCCC(=NNC(=O)[C@H](C)NS(C)(=O)=O)C1	794509015	XGLIUPVAJFGKBL-RYUDHWBXSA-N	317.455	1.633	50	20	DDGD	
CC(=NNC(=O)COc1ccc(F)cc1)c1ccc(O)nn1	790150732	QNEJHRDMYJPRKR-UHFFFAOYSA-N	304.281	1.241	50	20	DDGD	
O=C(CCCn1cncn1)NNc1cccc(F)c1[N+](=O)[O-]	791067137	QVKKJOFUGVDUPL-UHFFFAOYSA-N	308.273	1.249	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNc1ncnc2[nH]cnc12	792345648	YCFUPNJOFPMUOW-UHFFFAOYSA-N	313.321	1.212	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1cccc2ccn(C)c12	792376478	USZHZENVGCNKIS-UHFFFAOYSA-N	323.356	1.964	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)c1cccc(C)n1)C(C)(C)C	792972886	XVYIMQHQHBPXLN-GFCCVEGCSA-N	308.382	1.395	50	20	DDGD	
COc1c(C(=O)NNC(=O)CC(C)(C)C)cccc1[N+](=O)[O-]	795079001	ZPXPANXMAHFAGU-UHFFFAOYSA-N	309.322	1.801	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)Cc1cccnc1)c1cccnc1	797859377	BUEWWJYMMBRYTR-MRXNPFEDSA-N	312.373	1.606	50	20	DDGD	
O=C(CCc1cncnc1)NNC(=O)c1c[nH]c2ccccc12	794212401	SANXYHZHUCXFCV-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Cc2ncccc2F)cc1	792016727	UMYDAUMARPZAEU-UHFFFAOYSA-N	301.321	1.787	50	20	DDGD	
COc1ccc(C(=O)NNc2ncccc2C)cc1OCCO	798341662	VBUZMFQSGXSZLE-UHFFFAOYSA-N	317.345	1.527	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1nnc(O)c2ccccc12	1321936696	AONVTXSTYLJNLU-UHFFFAOYSA-N	316.708	1.536	50	20	DDGD	
COc1cc(C(=O)NNC(=O)COc2ccccc2F)ccn1	1321708845	QTQMYGZWSJLQAT-UHFFFAOYSA-N	319.292	1.069	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2cccnn2)cc1Cl	1324359315	XLQPXWXVPBHFGE-UHFFFAOYSA-N	316.708	1.083	50	20	DDGD	
CN(C)[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)CC(F)(F)F	1321745004	WUSILXVWWANPIA-RKDXNWHRSA-N	310.320	1.142	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2(Oc3ccccc3)CC2)o1	1326233404	WCTUSLMRQZHUAY-UHFFFAOYSA-N	300.314	1.961	50	20	DDGD	
O=C(NNc1ccccn1)[C@@H]1CCCCN1Cc1ccncc1	1254245502	JDKFOBPHINLBIH-HNNXBMFYSA-N	311.389	1.974	50	20	DDGD	
CN(NC(=O)C(=O)Nc1noc2c1CCCC2)c1ccccc1	1337936343	ZLYUDGULPOBTOY-UHFFFAOYSA-N	314.345	1.660	50	20	DDGD	
O=C(CCn1cnnn1)OC[C@H](CBr)C1CC1	1332815424	IBALPOUPMBEGSH-VIFPVBQESA-N	303.160	1.028	50	20	DDGD	
N#CC1=CCN(C(=O)c2cn(CCc3ccccc3)nn2)CC1	1412698545	YNYAVCNBGZYYLC-UHFFFAOYSA-N	307.357	1.817	50	20	DDGD	
Cc1c(C(=O)NN[C@H](C)C(F)(F)F)cnn1-c1ccncc1	1335315223	XEGIQUZSSLVHJP-SECBINFHSA-N	313.283	1.761	50	20	DDGD	
C[C@@H](CC(=O)NNc1nncc(N)c1Cl)C1CCNCC1	1261495270	YMZFICWACKVOHB-QMMMGPOBSA-N	312.805	1.181	50	20	DDGD	
CS(=O)(=O)c1ccc(C=NNC(=O)OCC(F)(F)F)o1	1350475254	YTGJYFSUKJTLAJ-UHFFFAOYSA-N	314.241	1.306	50	20	DDGD	
CCNC(=O)N1CC[C@H](NC(=O)c2cccc(CCl)c2)C1	1353609564	IABLREVYQJWFSW-ZDUSSCGKSA-N	309.797	1.959	50	20	DDGD	
C[C@H]1CN2CCN1C[C@@H]2C(=O)NNc1c(F)cccc1Cl	1519883711	RVTQSNKQYSQQKS-JOYOIKCWSA-N	312.776	1.311	50	20	DDGD	
C[C@H](CC(=O)O)C(=O)NNc1ncccc1C(=O)OC(C)(C)C	1604094544	ACNUPTYXKCXGFX-SECBINFHSA-N	323.349	1.591	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1cc2nn[nH]c2cc1F	1601561128	QKMIXEFGGXVKTN-UHFFFAOYSA-N	315.264	1.552	50	20	DDGD	
O=C(NCC(F)(F)F)NN=Cc1cccc(-c2nn[nH]n2)c1	1609544580	MQAWCLFIIQLMNB-UHFFFAOYSA-N	313.243	1.062	50	20	DDGD	
O=C(O)C[C@H]1CN(C[C@@H](CBr)C2CC2)CCO1	1601961394	KTYUTTDUNGXBPW-MNOVXSKESA-N	306.200	1.583	50	20	DDGD	
O=C(O)[C@H]1CCN(S(=O)(=O)c2ccc(CCl)cc2)C1	1606023171	XIXQTSQNOYAODF-JTQLQIEISA-N	303.767	1.521	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCCO1)c1ccccc1OCC(=O)O	1602987173	HSZCIXYIWQHWEB-AWEZNQCLSA-N	320.345	1.559	50	20	DDGD	
CCc1c(C(=O)NNc2ccc(CC(=O)O)cc2)ccn1C	1605780965	YTMUXAPASQZQEF-UHFFFAOYSA-N	301.346	1.972	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)NN=C1CC[C@H]2C[C@@H]12	1549904014	FETJPUYTHKZGJI-UUIJZJDISA-N	302.378	1.790	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@H]1C=NNC(=O)C1CCOCC1	1552923049	VYTQXVBYJDBKHF-KBPBESRZSA-N	320.393	1.509	50	20	DDGD	
CO[C@@H]1CN[C@](C)(C(=O)NNc2cccc3c2CCCC3)C1	1578949187	SJSUSRKEZHXUMM-GUYCJALGSA-N	303.406	1.776	50	20	DDGD	
CC(C)Oc1cccc(C(=O)NNc2ncccc2C(=O)O)n1	1573554960	PUVJPZVFZNZGCV-UHFFFAOYSA-N	316.317	1.719	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C2(CN)CCCC2)c1	1574130044	XMXOHYSUSXQHQR-UHFFFAOYSA-N	319.405	1.349	50	20	DDGD	
CC1(C)NCC[C@@H]1NS(=O)(=O)c1ccc(CCl)cc1	1576489666	SKQUNQLMRWMKSV-LBPRGKRZSA-N	302.827	1.844	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN1)c1nc2ccccc2cc1C1CC1	1580736478	UNJGNAOAZUUJBN-CQSZACIVSA-N	310.357	1.235	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1)c1cn([C@@H]2CCCNC2)nn1	1580737749	XQLAMZFXWNZAAK-GFCCVEGCSA-N	320.784	1.613	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(C(=O)O)cc1F)c1ccnn1C	1589422398	GJJSOMBQHRQUJT-MRVPVSSYSA-N	306.297	1.504	50	20	DDGD	
O=C(NNc1ccc(F)cn1)c1cc(-c2nn[nH]n2)cs1	1593163633	APKMZZIDUYEMFI-UHFFFAOYSA-N	305.298	1.219	50	20	DDGD	
CC1(C)OCC[C@@H]1CNC(=O)NNc1cccc(C(=O)O)c1	1593982213	QTOLZSRCFCSEEL-LLVKDONJSA-N	307.350	1.826	50	20	DDGD	
O=C(NNc1cccc(F)c1)c1cc(O)cc(-c2nn[nH]n2)c1	1593167382	IELGWNNDXMNLAS-UHFFFAOYSA-N	314.280	1.468	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)[C@H]1CC[C@H]1C(=O)O	1594780427	PULXCRXBZMDCBH-VHSXEESVSA-N	300.261	1.842	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(F)c(C(=O)O)c2)c(C)nn1	1597432143	XVWFZHZUKULXSU-UHFFFAOYSA-N	318.308	1.942	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cc(C(=O)O)cs1	1594643042	CAYPAGSYGZTYAX-POYBYMJQSA-N	313.335	1.024	50	20	DDGD	
C/C=C(/C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl	1796370633	NNYWHPVAAOAAOC-YIVIPLIISA-N	318.776	1.077	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@H]1CCn2cncc2C1	154140450	FEOGQBZBIRGDMX-JTQLQIEISA-N	301.306	1.497	50	20	DDGD	
O=C(Cc1cccc(F)c1)NCC(=O)NNc1cccc(F)c1	154347806	XKPFKWJWWWTTNL-UHFFFAOYSA-N	319.311	1.767	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CN(C)[C@@H]2CCSC2)cc1	159060691	RSXGGROREPIIKA-CQSZACIVSA-N	321.446	1.447	50	20	DDGD	
ICCN1CCC[C@H](n2ccnc2)C1	759365776	JVTCRWROZFSHIB-JTQLQIEISA-N	305.163	1.955	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccncc2)c1OC	496794	BVKGAKMARBHVGQ-UHFFFAOYSA-N	301.302	1.174	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1cc(Cl)c2c(c1)OCO2	6991661	QQOHRUWARFMYQR-UHFFFAOYSA-N	307.693	1.472	50	20	DDGD	
CCc1cccc(NC(=S)NNC(=O)C(=O)NC(C)C)c1	7382132	GVPGTZKOQGVCNY-UHFFFAOYSA-N	308.407	1.091	50	20	DDGD	
COCc1ccc(C(=O)NNC(=O)c2cccc(C#N)c2)cc1	103403003	DXQFXHKNKXYLPN-UHFFFAOYSA-N	309.325	1.779	50	20	DDGD	
Cc1noc(CCCC(=O)NNc2ccc(C(C)(C)C)nn2)n1	118527899	ZRYNSQJYKAUTHV-UHFFFAOYSA-N	318.381	1.932	50	20	DDGD	
O=C(CCn1ccc2ccccc21)NNC(=O)Cc1cc[nH]n1	106417824	VHBPQDBMAZHVRG-UHFFFAOYSA-N	311.345	1.145	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)c2cc3ccccc3cc2O)cn1	114536788	FBGWALSKDZXLOB-UHFFFAOYSA-N	324.340	1.837	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@@H]2CCc3cc(F)ccc32)cn1	117962097	XKMGEWGLPYXYAP-CYBMUJFWSA-N	317.324	1.191	50	20	DDGD	
Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)NC(C)C)cn2)n1	68808896	XZVJRQVRFVLENM-UHFFFAOYSA-N	316.365	1.237	50	20	DDGD	
O=C(/C=C/c1cccc(F)c1)NNC(=O)NCc1ccco1	65177883	NFLURFQILUFWBB-VOTSOKGWSA-N	303.293	1.963	50	20	DDGD	
CC[C@@H](C)NC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	113393505	LEZYRQCGLZZYSM-LLVKDONJSA-N	301.350	1.615	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)c1ccc(C)cc1	118054432	LQDMFLIQPQMFQD-CQSZACIVSA-N	315.377	1.824	50	20	DDGD	
Cc1cc([C@H](C)NC(=O)NNC(=O)Cc2ccncc2)c(C)o1	176280609	SREFYERMYCJBRD-NSHDSACASA-N	316.361	1.926	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)c1ccc(-n2cnnn2)cc1	66325922	IAPVSMGGJLLYSK-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C2=CCCCO2)c1	174396364	BRIOBYYJKYWSPQ-UHFFFAOYSA-N	304.346	1.524	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@@H](c1ncccc1C)C(C)C	120827902	UGCLMXHPOSLAPE-GXTWGEPZSA-N	306.410	1.623	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNC(=O)C(C)(C)C)c1ccccc1	125861663	UXOUMVOWGIGHEJ-CYBMUJFWSA-N	306.410	1.666	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)Nc2ccncc2)c1	183092418	LVOFAIGNTJZSJK-UHFFFAOYSA-N	306.347	1.634	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)[C@H](O)c1ccccc1	73083449	RCXDKIHJZQRJHZ-CYBMUJFWSA-N	319.386	1.355	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(C(=O)NNc2ccc(C#N)cc2)C1	183708756	ZIEDMPMKZASISW-UHFFFAOYSA-N	316.361	1.868	50	20	DDGD	
O=C(NCCOc1ccccc1)NNc1cncc(Cl)n1	126376543	GHCWJNLFZIEJST-UHFFFAOYSA-N	307.741	1.835	50	20	DDGD	
C[C@@H](CN1CCOCC1)NC(=O)/C(C#N)=C\c1ccc(O)cc1	188193615	VAOIXIGGISAZKZ-OJNRTJSBSA-N	315.373	1.136	50	20	DDGD	
CCCc1ccc(NC(=O)NNC(=O)c2cnn(C)c2)cc1	183057704	FRZLAKXHIFTEAY-UHFFFAOYSA-N	301.350	1.839	50	20	DDGD	
COc1cccc(NNC(=O)Cc2cccc([N+](=O)[O-])c2C)n1	180718477	SSYLYZPIEXFAQC-UHFFFAOYSA-N	316.317	1.993	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1	73067738	CKXZRWJEVYKKIL-MCIONIFRSA-N	303.362	1.122	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)N[C@@H](C)CC)cc1OC	42844301	NLNPUJNDLHDRLA-JTQLQIEISA-N	309.366	1.836	50	20	DDGD	
C[C@H](C(=O)NNc1nnc(C2CC2)s1)N(C)CC(F)(F)F	193813368	DMOMBFIRBAYSJF-ZCFIWIBFSA-N	323.344	1.741	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)C(=O)c1ccccc1	194336935	YOQXLIZTDDMQRM-UHFFFAOYSA-N	312.325	1.234	50	20	DDGD	
C[C@@H](Sc1ccccn1)C(=O)NNC(=O)Cc1cccnc1	84974331	UTAAMVKSIZYVRK-LLVKDONJSA-N	316.386	1.347	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CC2(O)CCCCC2)cc1	135934968	ZCOIHGBUXXGFEM-UHFFFAOYSA-N	319.405	1.640	50	20	DDGD	
CCOC(=O)NCC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	42475288	XURLQRPXZNYSAN-UHFFFAOYSA-N	321.377	1.491	50	20	DDGD	
CN(CC(=O)NNc1ccc(F)c(F)c1F)[C@H]1CCSC1	131451647	JXJXTACYPBDGOW-QMMMGPOBSA-N	319.352	1.984	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C(=O)Nc1ccc2[nH]ccc2c1	190298660	HFOZMZRQUKAQFH-UHFFFAOYSA-N	313.292	1.784	50	20	DDGD	
O=C(NNC(=O)c1cnc(-c2ccccc2)nc1)c1ccncc1	194909940	VHEFTVVOXFFZLP-UHFFFAOYSA-N	319.324	1.613	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cc(C#N)cs1	84085825	DMMIPKCWNVWUID-UHFFFAOYSA-N	315.354	1.632	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNC(=O)CC2CCCC2)c1	195209107	NQINMHLQVPJASL-UHFFFAOYSA-N	304.346	1.815	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)Nc1cnns1	192338527	KDECCNZXBHJSFL-UHFFFAOYSA-N	302.319	1.486	50	20	DDGD	
CCCN1CC[C@@H](CNC(=O)NNc2cccc(C#N)c2)C1	97257818	JVDORQHGCRDURR-AWEZNQCLSA-N	301.394	1.916	50	20	DDGD	
Cc1cccc(C2(C(=O)NNc3ncnc4nc[nH]c34)CC2)c1	266522605	ZVGJSLPPJALOHW-UHFFFAOYSA-N	308.345	1.836	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cn(C)nc1C(C)C	264525836	IDYLPTYZGCWLRA-UHFFFAOYSA-N	316.361	1.627	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2sc(C(C)(C)C)nc2C)[nH]n1	268827729	LNAMRKBKBZNSGL-UHFFFAOYSA-N	321.406	1.855	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)[C@@H]1CCOC1	266593177	RBAVLICBWAQPGE-CMPLNLGQSA-N	309.341	1.124	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)COc1ccc(C#N)cc1	269519303	XDKCDFUGTDLHRA-GFCCVEGCSA-N	307.375	1.226	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H](c2ccsc2)N(C)C)nn1	264348599	CHMMZWHJBKOAAZ-GFCCVEGCSA-N	320.422	1.776	50	20	DDGD	
COC[C@@H](C)CNC(=O)NNC(=O)CCc1ccc(OC)cc1	264093369	GHOOQZMJBDJPHK-LBPRGKRZSA-N	323.393	1.241	50	20	DDGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)[C@H]1COCCO1	264921820	SHPKJNVZFNGLBL-SNVBAGLBSA-N	324.724	1.249	50	20	DDGD	
COc1ccc(NNC(=O)CSC[C@@H]2CCCCO2)nc1	275424294	AIFQIIMKPMZFNZ-LBPRGKRZSA-N	311.407	1.836	50	20	DDGD	
O=C(Cc1ccncc1)NNc1nnc(-c2ccccn2)s1	365090518	RULHHIRYLUVZKX-UHFFFAOYSA-N	312.358	1.681	50	20	DDGD	
C#CCC1(C(=O)NNC(=S)NCCSC)CCCCC1	276585596	YXBXTNROGRVKSK-UHFFFAOYSA-N	313.492	1.819	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)NCCC1CC1	270660255	OIGGRAHELPLAQG-UHFFFAOYSA-N	323.418	1.918	50	20	DDGD	
N#CC1=CCN(C(=O)Cn2cnc3sccc3c2=O)CC1	273697355	IBJRVYXZZFCSAI-UHFFFAOYSA-N	300.343	1.140	50	20	DDGD	
Nc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)NC1CCCC1	272505783	UBJIAZJMMSJXBQ-UHFFFAOYSA-N	307.310	1.064	50	20	DDGD	
Cn1nc([C@H]2CCCOC2)cc1NC(=O)NNC(=O)C(C)(C)C	279683479	BDLSAZIQGGEOOY-JTQLQIEISA-N	323.397	1.513	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc(OC(F)F)nc1	282994617	GHDMMDWDPBKHFE-UHFFFAOYSA-N	302.281	1.882	50	20	DDGD	
CSSCCNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12	375229977	SJQAVNAXTIFSNI-KCJUWKMLSA-N	306.478	1.568	50	20	DDGD	
CC(=O)N1CCC[C@H]1C(=O)NNC(=O)Nc1ccccc1C	281082172	GDTMESATUJJNPV-ZDUSSCGKSA-N	304.350	1.159	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)n1	299561882	SCTLPJQVQZNYLF-CYBMUJFWSA-N	317.393	1.185	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)NC[C@@H]2CCOC[C@@H]2C)c1	297981873	MRSQMKAPAINNFJ-AAEUAGOBSA-N	320.393	1.944	50	20	DDGD	
C[S@](=O)C1(CNC(=O)NNc2cccc(Cl)n2)CC1	293456761	VJRLWNGFTRRXEN-IBGZPJMESA-N	302.787	1.272	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O	808247467	BCJSGMPKEOIRDS-UHFFFAOYSA-N	315.156	1.788	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1ccc2oc(O)nc2c1	807324055	YXUSHYIVHBSZSB-UHFFFAOYSA-N	305.681	1.734	50	20	DDGD	
Cc1ccc(C)c(S(=O)(=O)NNC(=O)[C@@H]2CCCCO2)c1	296771404	RJQVSZBGUSPSNQ-LBPRGKRZSA-N	312.391	1.182	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)COCc2ccccn2)c1	807211985	MOUQUIXJROTMOR-UHFFFAOYSA-N	315.329	1.528	50	20	DDGD	
Cn1cc(Oc2ccccc2C(=O)NNC(=O)NC2CC2)cn1	801140116	AVTMUWRLDIOSNB-UHFFFAOYSA-N	315.333	1.319	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)CSC2CC2)c1	294673924	AROWGJKFRYISDI-UHFFFAOYSA-N	309.391	1.150	50	20	DDGD	
O=C(Cc1cc(F)ccc1F)NNC(=O)N=c1cc[nH]cc1	802026273	CPWMGUPSRQEWPO-UHFFFAOYSA-N	306.272	1.177	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)N=c1cc[nH]cc1)c1ccc(F)cc1	802027240	YDNNUXGXXSCWKZ-NSHDSACASA-N	316.336	1.989	50	20	DDGD	
O=C(NC[C@@H]1COc2ccccc21)NNc1ccc(Cl)nn1	808368478	CWBAQIHHZUFSNG-SECBINFHSA-N	319.752	1.932	50	20	DDGD	
Cc1nnc(COCC(=O)NNc2ccc(F)cc2F)s1	802826764	MNSYKZBTYVISFM-UHFFFAOYSA-N	314.317	1.785	50	20	DDGD	
COc1ncnc(N(C)C)c1NC(=O)NNc1cccc(F)n1	806353708	RTTKGDINOKAGKQ-UHFFFAOYSA-N	321.316	1.234	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1ccc2c(c1)OCCO2	296300105	VSRPYJGFGSCNEC-GFCCVEGCSA-N	321.333	1.180	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNC(=O)Nc1ccc(Cl)cc1	802020507	YOLUGNUDPJIHEQ-MRVPVSSYSA-N	312.757	1.407	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)cn1	802025608	JZWJZZWHPXMTNL-UHFFFAOYSA-N	315.333	1.152	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@](C)(O)C2CC2)cc1C	298292724	PCIKITYEGSPTHW-MRXNPFEDSA-N	306.362	1.776	50	20	DDGD	
Cc1cn2cc(NC(=O)NNC(=O)[C@@H]3CC[C@H](C)O3)ccc2n1	292972160	QCTCZOJCOBSZET-JQWIXIFHSA-N	317.349	1.363	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2cnn(C)c2Cl)cc1	814743003	PEKOHIAWAXCNHI-UHFFFAOYSA-N	306.753	1.911	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)c1nnc2ccccc2n1	816338575	PURPFBSUQDRFOJ-UHFFFAOYSA-N	313.292	1.929	50	20	DDGD	
Cc1sc(-c2ccco2)nc1C(=O)NNc1cnnn1C	816772251	SGULTBUDILDLDE-UHFFFAOYSA-N	304.335	1.597	50	20	DDGD	
Cn1c(NNC(=O)CNC(=O)C(C)(C)C)nc2ccccc21	816577687	WIFQEWMUXMOYGA-UHFFFAOYSA-N	303.366	1.179	50	20	DDGD	
COC1([C@@H](C)NC(=O)NNc2cccc(F)n2)CCOCC1	817173301	KSPOEMLHVJQILY-SNVBAGLBSA-N	312.345	1.431	50	20	DDGD	
CNC(=O)c1ccc(C)c(NC(=O)NNc2ncncc2F)c1	814558111	RKHHIXBGCXNNCV-UHFFFAOYSA-N	318.312	1.432	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=C1CCN(c2ccccn2)CC1	815000052	FHTITUWNCQVPBL-UHFFFAOYSA-N	310.361	1.676	50	20	DDGD	
CC(=NNC(=O)N(C)C)c1cccc(OCCCC(=O)O)c1	814821483	XUZBWQRJVOVRAX-UHFFFAOYSA-N	307.350	1.925	50	20	DDGD	
CO[C@@H]1CCC[C@H](C(=O)NNC(=O)CCc2ccccc2O)C1	814409404	HVCZCULRIOQMJU-UONOGXRCSA-N	320.389	1.677	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCSC1	811412485	RJZKTCVJTVZNOT-GHMZBOCLSA-N	316.423	1.255	50	20	DDGD	
O=C1CSc2ccc(C(=O)NNc3ncncc3F)cc2N1	817080658	XLHOGKAICMQKQL-UHFFFAOYSA-N	319.321	1.417	50	20	DDGD	
O=C(CCNC(=O)C1CCCCC1)NNC(=O)CC1CCCC1	725897493	CVCABFGNGIFKEK-UHFFFAOYSA-N	323.437	1.801	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cccc(C#N)c1)c1ccccn1	728944339	VYUDNXFAHXOXHP-LLVKDONJSA-N	309.329	1.658	50	20	DDGD	
O=C(COCc1cccnc1)NNC(=O)Nc1ccccc1	813573317	CCSIRFBHKUVCPB-UHFFFAOYSA-N	300.318	1.451	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NC[C@H]2C[C@H]3CC[C@H]2C3)c1	728951160	DBTHWRYBNQKGDI-CORIIIEPSA-N	312.373	1.938	50	20	DDGD	
COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NN(C)[C@@H](C)CO)c1	823934606	IJOBPUIANBDTPX-VHRBIJSZSA-N	308.378	1.151	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F	822963837	JYJOLXBSSWWTFQ-PHDIDXHHSA-N	321.126	1.563	50	20	DDGD	
C[C@H](NS(=O)(=O)CCl)c1ccc(N2CCNC2=O)cc1	827965375	ZAMHNJXTNOZGHT-VIFPVBQESA-N	317.798	1.393	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1	496015817	PWYCJWHIWVHONX-JTQLQIEISA-N	311.294	1.184	50	20	DDGD	
Cc1cc(C(=O)NN(C)[C@H](C)CO)c(C)n1-c1ccccn1	823977205	QRCFCRUQZCJPOY-GFCCVEGCSA-N	302.378	1.447	50	20	DDGD	
COCCOC1CN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1	490847933	YQONPZXGOBZYOI-JYRVWZFOSA-N	304.321	1.606	50	20	DDGD	
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)NC(C)C	495512815	QSVVPJVOHJNLKA-SECBINFHSA-N	302.375	1.029	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H]1O[C@@H](C)C[C@@H]1C	822731844	PHBQADFAOZIJFY-MWODSPESSA-N	310.325	1.869	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NOC2CCOCC2)cc(C#N)n1C	490908925	MEYLAPNNUBHIMX-NTUHNPAUSA-N	314.345	1.339	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(CCO)Cc1cccc(OCC)c1	491107281	UUSHBJNCCBNGHX-SQFISAMPSA-N	318.373	1.850	50	20	DDGD	
CCS[C@H]1CC[C@H](N(C)CC(=O)NNC(=O)C(C)C)C1	827937802	CPXIWNVGNOLJMR-RYUDHWBXSA-N	301.456	1.396	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)C1(C#N)CC(C)C1	822727809	INIRTTJSUOGDSG-UHFFFAOYSA-N	305.309	1.995	50	20	DDGD	
CC(=O)N[C@](C)(C(=O)NC[C@]1(C)C[C@@H]1Br)C(C)C	826859606	UCQMMSUGJFVZKD-DRZSPHRISA-N	319.243	1.827	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)N[C@H]2CO[C@@H](C)C2)c1	828420258	KBKNBZBPGLRBSG-QWHCGFSZSA-N	321.377	1.190	50	20	DDGD	
CCOc1ccc(NNC(=O)NCc2cn(CC)nn2)cc1	821722170	HTQAYJTTYXSMBB-UHFFFAOYSA-N	304.354	1.523	50	20	DDGD	
COC(=O)CCCCCCNC(=O)/C(C#N)=C/c1cnn(C)c1	822393781	CGMCJGOIXWXNOW-NTEUORMPSA-N	318.377	1.567	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)CNC(=O)OC(C)(C)C)c2nccn21	496696015	SMYWDELYEQDECK-SECBINFHSA-N	307.354	1.193	50	20	DDGD	
COCC[C@H](C)NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	725868079	OOPJANNHQMTPAG-GVMDUPDNSA-N	323.437	1.958	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(Cc1cccc(C(N)=O)c1)C1CC1	491159324	IJKPKCZDSZAZTE-SDNWHVSQSA-N	313.357	1.720	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCC2(O)CCCCCC2)cn1	490971634	IYGINYMBIPXAJJ-RIYZIHGNSA-N	302.378	1.529	50	20	DDGD	
CC[C@H](C)c1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cc1	585061525	ZSXQOMDKNQEFIU-WCQYABFASA-N	311.212	1.438	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1C[C@@H]2C3CCC(CC3)[C@H]2C1	585009472	YGPGEABFYPXMMY-FWFPMQDGSA-N	317.169	1.014	50	20	DDGD	
COCCCC(C)=NNC(=O)NCCNC(=O)OC(C)(C)C	493269432	QMGWLXXQSKSKKG-UHFFFAOYSA-N	316.402	1.613	50	20	DDGD	
COc1cccc(C[C@@H](C)NCc2ccc(B(O)O)cc2F)c1	585024324	WYXJQAYOEVGMNK-GFCCVEGCSA-N	317.169	1.235	50	20	DDGD	
CN(C)C(=O)[C@@H]1CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C1	491101967	GMVWJOONXJIFTO-CKXDQPNJSA-N	313.357	1.236	50	20	DDGD	
Cc1n[nH]c(C)c1/C=C(\C#N)C(=O)c1cccc(-c2nn[nH]n2)c1	826321676	MCTFDLCWPMJCEA-NTUHNPAUSA-N	319.328	1.997	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1C[C@H]1c1ccccc1F	826950940	AIHULLCPGCKZIU-HEQLZXTPSA-N	321.352	1.437	50	20	DDGD	
CC(=NNC(=O)NCCNC(=O)OC(C)(C)C)[C@H]1CCOC1	491986219	BRNOSBXHTGSSTQ-NSHDSACASA-N	314.386	1.223	50	20	DDGD	
CCOC(=O)C1(CNC(=O)[C@@]2(C)C[C@H]2Br)CC1	907450636	LSRJTGQQJIABDQ-KCJUWKMLSA-N	304.184	1.619	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1cc(C(=O)OC)n(C)c1	491083352	LFBJCTSLZLJKJJ-MDWZMJQESA-N	319.361	1.261	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C	490894758	SLWJOPPYLSIZGQ-SNVBAGLBSA-N	314.386	1.078	50	20	DDGD	
CCCN(NC(=O)CNC(=O)C(C)(C)C)C(=O)OC(C)(C)C	495630855	IIIBPVPFOLDJPY-UHFFFAOYSA-N	315.414	1.827	50	20	DDGD	
CCC[C@@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)C(=O)OC	490913105	YLBDPUMKHOOHMW-BRADTZPFSA-N	302.330	1.757	50	20	DDGD	
CC[C@@H](C)[C@@H](C=NNC(=O)CNC(=O)OC(C)(C)C)OC	496732117	WMDCYCFPKFNBPH-GHMZBOCLSA-N	301.387	1.674	50	20	DDGD	
O=C(CNC(=O)N1CCCC1)NNc1ccc(F)c(F)c1F	901162665	MMSVDNAWZWAYSS-UHFFFAOYSA-N	316.283	1.352	50	20	DDGD	
O=C1[C@@H](NS(=O)(=O)CCl)CCN1c1ccccc1Cl	830451133	NPLCBDFLDCZGOS-VIFPVBQESA-N	323.201	1.561	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2CCC[C@H](C(=O)O)C2)n1	831972838	RUBWAVNYMQMOEY-ZJUUUORDSA-N	308.338	1.128	50	20	DDGD	
CCN(C(=O)c1cccc(B(O)O)c1)[C@H](C)Cc1ccsc1	584975725	YRVGVPODKFAAQB-GFCCVEGCSA-N	317.219	1.521	50	20	DDGD	
CCS(=O)(=O)NCC(=O)NNc1c(C)cccc1Cl	836934307	SXRJQIFRWHWRDX-UHFFFAOYSA-N	305.787	1.031	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)COC(=O)C(C)C)cc1C	736739662	BEPCDJBFBWDGDA-UHFFFAOYSA-N	312.391	1.579	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)Cc2ccc(Cl)cc2)CCCCO1	837311894	FRIAIRONRDIYDC-HNNXBMFYSA-N	310.781	1.989	50	20	DDGD	
COc1ccc(Cl)c(S(=O)(=O)NNC(=O)C(C)C)c1	732747577	REWNAAKCIGDIJV-UHFFFAOYSA-N	306.771	1.314	50	20	DDGD	
CCc1nc(C=NNC(=O)[C@@H]2CCCCO2)c2ccccn12	834987686	ZWOFFPDPZHLUTQ-AWEZNQCLSA-N	300.362	1.916	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=C1CCc2ccccc21	730587839	RIAKJNIQWLEODO-UHFFFAOYSA-N	314.370	1.480	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H](C)CN2CCOCC2)cc1	837535608	PVNIGPKZGRHDDC-CYBMUJFWSA-N	322.409	1.432	50	20	DDGD	
CCN(CCc1ccccn1)[C@@H](C)C(=O)NNC(=O)CC(C)C	732198295	LJEOPNSPPUZIAX-AWEZNQCLSA-N	320.437	1.528	50	20	DDGD	
CN(NC(=O)NCc1nnnn1-c1ccccc1)c1ccccc1	730582076	DDUVIOIXRAZZQT-UHFFFAOYSA-N	323.360	1.513	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1ccc(C(=O)OC)cc1F	901416820	GTHGMHCWQSFJPN-KPKJPENVSA-N	306.293	1.282	50	20	DDGD	
Cc1nn(C)cc1COC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	837406153	VCMZUMCZZBDNRQ-LHHJGKSTSA-N	323.356	1.898	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)Cc1cccc(F)c1	730778897	YKQBSSZAKQLAEX-UHFFFAOYSA-N	318.304	1.300	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H](CCN(C)C)C(C)(C)C	734867226	LOXLCGCJSZCLHW-LBPRGKRZSA-N	300.447	1.729	50	20	DDGD	
O=C(COCc1cccc(Cl)c1)NNC(=O)NCC1CC1	837368012	WOHLQHHCXGMPMM-UHFFFAOYSA-N	311.769	1.597	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NC[C@H]2CCCC2(F)F)c1	836275930	BVPCUNYXTRYTMB-GFCCVEGCSA-N	322.315	1.938	50	20	DDGD	
C[C@@H]1C[C@@H]1CNC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836219088	BMHIBBJEHXFULL-RKDXNWHRSA-N	306.322	1.407	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@]2(C)CCCCO2)c1	837309387	LRODTPVCBWEUOA-QGZVFWFLSA-N	320.389	1.789	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](c1ccccc1)C(F)F	836665953	MORYBXYJGSHBIF-NSHDSACASA-N	301.293	1.360	50	20	DDGD	
O=C(NCC1(C(=O)O)CCCC1)NNC(=O)c1ccccc1	833136363	NMNWWKAUWWVTNP-UHFFFAOYSA-N	305.334	1.276	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(-c2ccccc2Cl)[nH]n1	910169590	FAKRMERBJNCDLF-VIFPVBQESA-N	308.769	1.688	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1nccc2ccccc12	748259018	RYBPKEDKZYEGJP-GFCCVEGCSA-N	301.346	1.736	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2ccccc2O)c(F)c1	749383263	WKYJSBJEWYUWNT-UHFFFAOYSA-N	318.304	1.680	50	20	DDGD	
N#Cc1ccc(CC(=O)NNC(=O)CCOc2ccccc2)cc1	749850339	ROPQVJHZAZQLKJ-UHFFFAOYSA-N	323.352	1.717	50	20	DDGD	
O=C(CCNC(=O)c1cccs1)NNC(=O)C1CCCC1	914842749	LVJYYIARPYQVKB-UHFFFAOYSA-N	309.391	1.206	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)Cc2nonc2C)cc1C	846200369	RTEWLDBPRSTLQJ-UHFFFAOYSA-N	318.333	1.549	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1ccccc1	843650041	ZAOXPTHIJYPYQH-UBHSHLNASA-N	306.362	1.337	50	20	DDGD	
CON=Cc1ccc(C(=O)NNc2nccc(OC)n2)cc1	914763095	MDDAFUFNZCKOAZ-UHFFFAOYSA-N	301.306	1.222	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1cccc([N+](=O)[O-])c1	843654524	RPJFCTOVTJIPCP-GWCFXTLKSA-N	321.333	1.100	50	20	DDGD	
CO[C@@]1(C)CC(=NNC(=O)[C@H](C)CN2CCOCC2)C1(C)C	746563371	BOPYUYWKBYEARO-WBMJQRKESA-N	311.426	1.262	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNc1cc(O)nc2ncccc12	913990759	XAKLZFHKISAUEB-ZANVPECISA-N	304.350	1.840	50	20	DDGD	
CCc1ccc(S(=O)(=O)NNC(=O)c2cc[nH]n2)cc1CC	849310658	IUDQUNZXUATDOZ-UHFFFAOYSA-N	322.390	1.158	50	20	DDGD	
C[C@@H](CCN)NC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	841967859	QPJHRPOXYAJBPZ-ZJUUUORDSA-N	324.450	1.554	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSCc1nc2ccccc2[nH]1	918695002	KBHMGTJOZQAEKO-UHFFFAOYSA-N	320.418	1.990	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@H](C#N)CC)cc1	845089301	WTLNGHZNZWFGDW-RYUDHWBXSA-N	319.361	1.550	50	20	DDGD	
CCN1CCC(=NNC(=O)CNc2ccccc2OC)[C@@H](C)C1	741453008	KFDBVFKEETUOFN-ZDUSSCGKSA-N	318.421	1.941	50	20	DDGD	
COC(=O)[C@@H](CNS(=O)(=O)CCCCCl)CC1CC1	845990901	CUOBNUYSDIYGDD-LLVKDONJSA-N	311.831	1.514	50	20	DDGD	
CCNC(=O)NN=C(C)c1ccc(OC)c(Cn2cccn2)c1	749857716	FZYBKWJLSBMNDS-UHFFFAOYSA-N	315.377	1.983	50	20	DDGD	
CCN1CCC(=NNC(=O)CNc2ccc(OC)cc2)[C@@H](C)C1	741453805	WASMDRGOAYSTFX-ZDUSSCGKSA-N	318.421	1.941	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(F)c(F)c(F)c1F	843638628	DAQJFQCAZVJYOO-PHDIDXHHSA-N	320.242	1.429	50	20	DDGD	
CCn1nc(C)c(/C=C(/C#N)C(=O)NCCc2ccccc2)n1	840729208	NNOZIPZPUWEDFT-PTNGSMBKSA-N	309.373	1.872	50	20	DDGD	
CN(C)N(C(=O)[C@H]1CC[C@H](C)CC1)[C@@H]1CCS(=O)(=O)C1	844300296	JSNSPQXMVFYBAD-JHJVBQTASA-N	302.440	1.305	50	20	DDGD	
C[C@@H]1OC(=O)N[C@@H]1C(=O)NNc1ccc(OC(F)(F)F)cc1	841408324	JSKZEGKCTMTKNX-RCOVLWMOSA-N	319.239	1.525	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](C)NC(=O)C1CCCCC1	840572351	SHAOAODSRJMGTP-JTQLQIEISA-N	321.381	1.013	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1ccc2c(c1)OC(F)(F)O2	842549706	PIEOFMGRSLOIOH-WPRPVWTQSA-N	312.272	1.883	50	20	DDGD	
CC[C@@H](NC(=O)NNc1ccc(Cl)nn1)C1CCOCC1	746425705	IDMDSOADSZTURI-SNVBAGLBSA-N	313.789	1.961	50	20	DDGD	
CNC(=O)NN=Cc1nc(N(C)C)n(-c2ccccc2)c1Cl	920377026	FYIMXGGGIMIZKY-UHFFFAOYSA-N	320.784	1.855	50	20	DDGD	
Cc1cc(C=NNC(=O)c2ccncc2)ccc1-n1cncn1	743418749	IAXIRVOSWHASRN-UHFFFAOYSA-N	306.329	1.735	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cc2cnccc2o1	844584601	BPYRWCCGYHZXGF-UHFFFAOYSA-N	302.334	1.583	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C2=CCCCO2)c1	746094658	BLKVTWZHFVMENN-UHFFFAOYSA-N	306.318	1.159	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)CC1OCCO1	840545560	KFCGLBWQIYMWGA-UHFFFAOYSA-N	300.746	1.460	50	20	DDGD	
Cn1ncc(C(=O)O)c1C=NNC(=O)CCCc1ccccc1	848405553	OYVZVJRWPNWNCQ-UHFFFAOYSA-N	314.345	1.591	50	20	DDGD	
Cc1ccc2c(CC(=O)NNC(=O)[C@H]3CCO[C@H]3C)coc2c1	843647095	MXXMOLINCFYKAG-AAEUAGOBSA-N	316.357	1.856	50	20	DDGD	
Cn1ccnc1[C@H](CC(=O)NNC(=O)C1CC1)C(F)(F)F	847285086	WTARXSCMFMQDTR-QMMMGPOBSA-N	304.272	1.014	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@@H]2CCC(=O)C2)cc1	843754688	YWFSXOWHDBIPCC-LLVKDONJSA-N	306.387	1.604	50	20	DDGD	
CN1CC[C@@H]1CNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	928560457	VVMKFGAQVVDRKG-SBFPOUOMSA-N	301.228	1.760	50	20	DDGD	
C[C@@H]1C[C@@H](C)CN([C@@H]2CCCCC2=NNC(=O)CN(C)C)C1	751526036	LNSNKOWVHAVMHT-IIAWOOMASA-N	308.470	1.941	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CN2[C@H]3C=CC[C@H]2CC3)c1	752099455	FUMFJQRWODZPRK-GJZGRUSLSA-N	310.357	1.112	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCC[C@H](C)N(C)C)cc(C#N)n1C	855410853	JZMXFJWUWFZRKE-IYVNWDGISA-N	313.405	1.569	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccc(C(N)=O)o2)C[C@@H]1Br	857395404	XOVGVFTXKJMXPJ-KWQFWETISA-N	301.140	1.282	50	20	DDGD	
CC(C)(C)c1ncc2c(n1)CCN(S(=O)(=O)CCl)C2	859267518	BNYIKLKSFQQGCF-UHFFFAOYSA-N	303.815	1.658	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)[C@H]1CC(=O)N(C2CCCC2)C1	857355792	NJMAZKZJIYYSFT-VIFPVBQESA-N	323.784	1.364	50	20	DDGD	
C[C@@H]1CN(C(=O)NC[C@]2(C)C[C@@H]2Br)[C@H](C)CN1	857105025	CLVLNNXLUANGHX-SVDPJWKOSA-N	304.232	1.552	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@H](C)OCC(C)C	920807223	ALDSLTBQGKRZOV-LBPRGKRZSA-N	324.377	1.283	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)[C@@H]1CCc2nnnn2CC1	928337612	IGDUFPWQYRRZFC-SNVBAGLBSA-N	320.784	1.731	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H](C)CN(C)C(C)C)c1	858467018	IMTSBGDOYXBVHP-NSHDSACASA-N	312.439	1.729	50	20	DDGD	
O=C(NCCN1CCCC1=O)NNc1c(F)cc(F)cc1F	923072629	HHMCYUGXJKKYLG-UHFFFAOYSA-N	316.283	1.352	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CC(=O)NNC(=O)Cc1ccncc1	754059312	GZFMMHDIWYXWJR-SNVBAGLBSA-N	316.361	1.570	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@@H]1CCCc2cn(CCOC)nc21	758817416	ZOELDTKKWSGEOD-QLKUMGTLSA-N	318.377	1.467	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@@H]3CNC[C@@H]32)C[C@H]1Br	857105549	NGEYVQDDTNUZRJ-DTHBNOIPSA-N	302.216	1.163	50	20	DDGD	
CC1CCN(C[C@H](C)NC(=O)NNc2ncccc2F)CC1	852602325	OBXMLTXKQNMAIL-LBPRGKRZSA-N	309.389	1.967	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cccc(CC(F)(F)F)c1	756803721	QIICBDBMWOLPDP-UHFFFAOYSA-N	305.256	1.591	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)N[C@@H](Cc1ccccc1)C1CC1	858237655	MGTBBIBMTBJPEH-AWEZNQCLSA-N	313.361	1.375	50	20	DDGD	
N#CSCCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1	854363318	VRQXWKHVDMOSQN-GFCCVEGCSA-N	303.387	1.760	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1ccc([N+](=O)[O-])cc1F	855621474	UOFGIYIDHNTCLM-SECBINFHSA-N	315.301	1.619	50	20	DDGD	
CNS(=O)(=O)[C@@H]1CCN(/C(=C\C#N)c2ccc(F)cc2)C1	750201354	IWDOJNUZEXIKOH-KKMLBMJLSA-N	309.366	1.314	50	20	DDGD	
Cn1nncc1NNC(=O)Cc1cc(Cl)cc2c1OCC2	857273708	UVSDUKJLGRAYJH-UHFFFAOYSA-N	307.741	1.089	50	20	DDGD	
Cc1nc[nH]c1C=NNC(=O)COc1ccccc1[N+](=O)[O-]	755540849	TUJKXSUSYVLNFR-UHFFFAOYSA-N	303.278	1.155	50	20	DDGD	
COC[C@@H](NC(=O)NNc1ncc(Cl)cn1)c1ccco1	856874820	VCHZLVUXROVXBO-SECBINFHSA-N	311.729	1.737	50	20	DDGD	
Cc1csc([C@H](C)C(=O)NNC(=S)NCC2CCC2)n1	855090502	XXBMIMJWFQXTFH-SECBINFHSA-N	312.464	1.850	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCO2)NNc1ncc(F)cc1F	857532682	UBGDJFMFBDZXHX-UHFFFAOYSA-N	305.284	1.981	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1ccc(O)c(Cl)c1	750937151	NZEABLAEZQNSMG-UHFFFAOYSA-N	321.720	1.519	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)CCO1	853374824	STGPELQHVJWLLX-MRVWCRGKSA-N	320.393	1.559	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)c1ccccc1Cl)C1CC1	852555319	PQAGBVFEFYPNON-ZDUSSCGKSA-N	309.797	1.879	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Nc2cc(OC)ncn2)cc1	757759353	XLWJSTVYCDGUCH-UHFFFAOYSA-N	315.333	1.514	50	20	DDGD	
CCCCCC(C)(C)CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1	858290183	TYCPDQZSJLCFPI-NSHDSACASA-N	312.414	1.202	50	20	DDGD	
CSc1nc2ccc(NC(=O)NNC(=O)CO)cc2s1	755413038	JGQFAIQRQSUXBM-UHFFFAOYSA-N	312.376	1.163	50	20	DDGD	
C[C@@]1(CNC(=O)NCCc2cn[nH]c2)C[C@H]1Br	856859048	FIIBSWHQSHAJTG-KOLCDFICSA-N	301.188	1.425	50	20	DDGD	
C[C@H](NC(=O)NNc1ncc(Cl)cn1)C1=CCN(C)CC1	856883026	CJOVDWNISNEGNN-VIFPVBQESA-N	310.789	1.407	50	20	DDGD	
O=C(CCCOCc1ccccc1)NNC(=O)c1cc[nH]n1	855359368	OZQDZOASZIWKPB-UHFFFAOYSA-N	302.334	1.168	50	20	DDGD	
COc1cc(C)sc1C(=O)NNC(=O)OCC(F)(F)F	856023823	XIZTYPQPKLFELL-UHFFFAOYSA-N	312.269	1.998	50	20	DDGD	
CNC(=O)C(C)(C)CNC(=O)NC[C@@]1(C)C[C@@H]1Br	856841915	BMVKZMLCMLWAGC-QPUJVOFHSA-N	320.231	1.231	50	20	DDGD	
O=C(NNS(=O)(=O)c1cccc(F)c1F)c1ccccc1	751261631	VOGFABVHIROUSO-UHFFFAOYSA-N	312.297	1.588	50	20	DDGD	
COC(=O)C[C@@]1(NC[C@@H](CBr)C2CC2)CCOC1	859253769	DUOSDLLICPNKGU-YPMHNXCESA-N	320.227	1.719	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)[C@@H](C)O1	853373489	DNWYUWJNRPVBBY-HKUMRIAESA-N	320.393	1.557	50	20	DDGD	
Cc1ccc(NNC(=O)CNC(=O)OCC(F)(F)F)cc1F	856229630	RANJAHUBXMKRJB-UHFFFAOYSA-N	323.246	1.866	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1ccc(C)c(Cl)c1	930733276	MDHHHWVOMWTBKE-UHFFFAOYSA-N	313.785	1.558	50	20	DDGD	
CO[C@@](C)(C(=O)NNc1cccc(F)n1)C(=O)OC(C)(C)C	854443333	VGGKIGIIJZMKLP-AWEZNQCLSA-N	313.329	1.411	50	20	DDGD	
COCc1nc(C(=O)NNc2ncc(F)cc2F)cs1	857533456	ZOGZWBWNLMPHAC-UHFFFAOYSA-N	300.290	1.720	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(Cl)c(C#N)c1	758104977	RYBQKKOUALCYSC-UHFFFAOYSA-N	303.709	1.318	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)ncc1F)NC1CCCC1	930963907	ASCKYXXLTPNXEH-UHFFFAOYSA-N	300.721	1.761	50	20	DDGD	
CC(=NNC(=O)CS(C)(=O)=O)c1nc2ccccc2s1	863188631	ZEGMYSQZUNBQBG-UHFFFAOYSA-N	311.388	1.181	50	20	DDGD	
COC1CCC(Cc2nc(-c3cccc(B(O)O)c3)no2)CC1	867054123	BNIPOJYKLVVSPF-UHFFFAOYSA-N	316.166	1.164	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNc1ccc(C(F)(F)F)cn1	935456153	JITWYYVNWKKTOL-RKDXNWHRSA-N	317.267	1.743	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2cccc(OC(F)(F)F)c2)N1	863145119	JYWCIUQBYJELNV-SNVBAGLBSA-N	315.251	1.314	50	20	DDGD	
COCCOCC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1	869901049	MRSXVLRNBQTTLC-LSDHHAIUSA-N	320.389	1.217	50	20	DDGD	
C[C@H]1CC(=NNC(=O)CN(C)C)CN(Cc2ccccc2)C1	767378562	RNHJQUFVLDUEDF-AWEZNQCLSA-N	302.422	1.562	50	20	DDGD	
CCn1cc(-c2n[nH]cc2C(=O)NN[C@@H](C)C(F)(F)F)cn1	862317374	GNHCKNBCNINXPN-ZETCQYMHSA-N	316.287	1.478	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccc(OC2CCCC2)cc1	768255592	KWZUDTNLIACXCL-UHFFFAOYSA-N	306.362	1.540	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H](C)CC(F)(F)F)n1	766656139	FQRIAIVCIXNEIZ-ZETCQYMHSA-N	307.276	1.761	50	20	DDGD	
C[C@@H](NNC(=O)c1cc(Br)nn1C)C(F)(F)F	862316701	GDNLCYZEMWBCEY-SCSAIBSYSA-N	315.093	1.368	50	20	DDGD	
C[C@H](CC(F)(F)F)NC(=O)NNC(=O)Cc1cccnc1	766607250	VBJWBRRWFNQUET-MRVPVSSYSA-N	304.272	1.295	50	20	DDGD	
Cc1ccc(N(C)C(C)C)c(C(=O)NNC(=O)c2cn[nH]c2)c1	862472112	VHPBKKDJHZLHDZ-UHFFFAOYSA-N	315.377	1.638	50	20	DDGD	
C[C@@H](NNC(=O)CSc1nnc2ccccn12)C(F)(F)F	862316557	QJXINZNHYRQFBK-SSDOTTSWSA-N	319.312	1.393	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2nc[nH]c2C(C)(C)C)n1	867924464	SCIVVRSKDYUZNB-UHFFFAOYSA-N	301.350	1.485	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NN=c2cc[nH]c(C)c2)C1	862511704	YLIYKYYAAIKUOQ-JSGCOSHPSA-N	318.421	1.540	50	20	DDGD	
C=CCCC(=O)OCC(=O)NNC(=O)Cc1ccccc1C	767321456	UMLHVEKICABHGE-UHFFFAOYSA-N	304.346	1.194	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1ccccc1NC(C)=O	767721033	DNMKHHRQADEXJQ-UHFFFAOYSA-N	306.366	1.318	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNc1ccc(OC(F)F)cc1	866875514	FUQBFVYVNRVALU-LLVKDONJSA-N	301.293	1.646	50	20	DDGD	
CC[C@]1(C(=O)NNc2nc3ccccc3cc2C)CCNC1=O	867243664	ZLLLYAZKOJKMNF-KRWDZBQOSA-N	312.373	1.903	50	20	DDGD	
O=C(NC[C@H]1COCCN1)NNc1c(F)cccc1Cl	861684866	RXHALOUZOLXBKL-QMMMGPOBSA-N	302.737	1.094	50	20	DDGD	
CN(C)CC(=O)NN=Cc1ccc(Sc2ccccn2)o1	766448549	YSNABFKAOXBTRQ-UHFFFAOYSA-N	304.375	1.838	50	20	DDGD	
CCN1CCO[C@H](C(=O)N(C)NC(=O)OCc2ccccc2)C1	862287487	OSXVTNBHBRSUDZ-AWEZNQCLSA-N	321.377	1.007	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NN=Cc2ncc[nH]2)n[nH]1	764799191	BLRRHQOECMGGCP-UHFFFAOYSA-N	310.317	1.572	50	20	DDGD	
COC(=O)C[C@@H](O)CNC(=O)CCCC[C@H]1CCSS1	863016354	QBVIZORGSUNWEP-MNOVXSKESA-N	321.464	1.741	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccn(-c2ccncc2)n1	1116785017	HIIRDIAMRXYNJD-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
CCCC(=O)Nc1ccc(O)c(C(C)=NNC(=O)CCO)c1	1116200471	XGTIJKYGSSBUII-UHFFFAOYSA-N	307.350	1.353	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1F	760235338	NWWJTMGFLQHHQE-UHFFFAOYSA-N	316.288	1.938	50	20	DDGD	
Cc1c(F)cccc1NC(=O)C(=O)NNC(=O)C1CCCC1	764071556	UZQKPIMWJOJAKN-UHFFFAOYSA-N	307.325	1.410	50	20	DDGD	
C#CCNC(=O)[C@H](C)OC(=O)[C@H](Br)C(C)(C)C	766752075	OTZDXTCXVDYMBI-IUCAKERBSA-N	304.184	1.477	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=S)NC(C)C)cc1C	1116307264	JROJWPYNXSGRMN-UHFFFAOYSA-N	311.407	1.286	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)NC1(C(F)(F)F)CCC1	879378563	OOZNRJLPQFEQHL-UHFFFAOYSA-N	302.256	1.511	50	20	DDGD	
CCc1cc(NNC(=O)[C@@H](C)N(C)C)nc(-c2ccccn2)n1	878816412	PRTRZHPZQRZMGQ-LLVKDONJSA-N	314.393	1.494	50	20	DDGD	
O=C(CCn1cc(Br)cn1)NNc1ccccn1	777469092	SHZROPVIPOXNNO-UHFFFAOYSA-N	310.155	1.574	50	20	DDGD	
O=C(CCCC[C@H]1CCSS1)NC[C@@H]1COCCN1	877040574	QMEWXARPUFITFU-NEPJUHHUSA-N	304.481	1.805	50	20	DDGD	
CC(=NNC(=O)c1nnc(-c2ccccc2)o1)c1cnn(C)c1C	778540177	LFAJLLWKZNYIOI-UHFFFAOYSA-N	324.344	1.933	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@@H]2CCC[C@@H]2OC)n1	774790667	WBJFNSOGFOOQMZ-QWRGUYRKSA-N	309.370	1.235	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1O[C@H]2C=C[C@H]1CC2	879801151	FMHFVGJIXHAQOZ-GJZGRUSLSA-N	315.373	1.019	50	20	DDGD	
Nc1ncnc2cc(C(=O)NNC(=O)NC3CCCC3)ccc12	1118571013	BQAGWLJADOLIPK-UHFFFAOYSA-N	314.349	1.099	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1cc(Cl)cc2c1OCC2	875487712	CBYKJVPXNSIKNK-UHFFFAOYSA-N	313.741	1.687	50	20	DDGD	
CC(=NNC(=O)c1cccnn1)c1cnn(C(C)(C)C)c1C	1119302726	SOWXPIMRDFPMMN-UHFFFAOYSA-N	300.366	1.891	50	20	DDGD	
CC(C)C[C@@H](C)n1nccc1NC(=O)NNC(=O)CN(C)C	775764057	FGFAHVZQRSGQSX-LLVKDONJSA-N	310.402	1.205	50	20	DDGD	
CN(C/C=C/C(=O)NNc1ccc(F)cn1)CC(F)(F)F	874648723	ZULISOBKOZEMOL-NSCUHMNNSA-N	306.263	1.714	50	20	DDGD	
Nc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)CCc1ccco1	779512065	XNLFTALMFDKZCO-UHFFFAOYSA-N	318.289	1.164	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@H](C)N2CCCC[C@@H]2C)cc[nH]1	875072340	VGMJASUZLIWQHB-KBPBESRZSA-N	305.426	1.701	50	20	DDGD	
NC(=O)CCOc1ccccc1NC(=O)NNc1ccccn1	779029263	ONCVDQPUHWSUJE-UHFFFAOYSA-N	315.333	1.484	50	20	DDGD	
Cn1nccc1NC(=O)NNc1ccnc(Br)c1	775752132	CWTQUVFYKYOYHG-UHFFFAOYSA-N	311.143	1.726	50	20	DDGD	
CC(=O)NC[C@H](CC(=O)NNc1ccc(F)cn1)CC(C)C	874648310	LPLFGPKWIASZPO-LBPRGKRZSA-N	310.373	1.852	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@H](C)c1cccc(NC(C)=O)c1	774863803	NNUNVLDEUBZUIN-MNOVXSKESA-N	320.393	1.242	50	20	DDGD	
CN(NC(=O)CCc1cc(Br)ccc1F)C(N)=O	778417953	ZVRQHOQTVRSGNU-UHFFFAOYSA-N	318.146	1.563	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1c(C)cccc1F	775276579	MHILUYHCVGAVRU-UHFFFAOYSA-N	303.359	1.427	50	20	DDGD	
O=C(NCCOC[C@@H]1CCOC1)NNc1cc(Cl)ccn1	778660191	JFOVAWGSMOHTAU-SNVBAGLBSA-N	314.773	1.414	50	20	DDGD	
CN(C)C(=O)CCCNC(=O)NNc1ccc(C(C)(C)C)nn1	1116090085	CDPHSJDUVYBXHQ-UHFFFAOYSA-N	322.413	1.269	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCO2)c1cnn(C)c1C	778533553	NUUUKOSWRMJGFF-UHFFFAOYSA-N	300.318	1.611	50	20	DDGD	
CC(C)C(=O)NNC(=O)C1(OCc2ccccc2)CCOCC1	772630061	ITDCULRENDAEHY-UHFFFAOYSA-N	320.389	1.556	50	20	DDGD	
CCN1CCC(CCNC(=O)NN=c2cc[nH]c(C)c2)CC1	875314590	MDIZWDAOZPWMFL-UHFFFAOYSA-N	305.426	1.560	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)CNC(=O)OC(C)(C)C)C(C)(C)C	778436114	DJVILZWAMQQQPS-NTMALXAHSA-N	313.398	1.651	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)NOC2CCCC2)c1	774810322	PPRPKONWFWYHRI-UHFFFAOYSA-N	323.349	1.522	50	20	DDGD	
CN(C)[C@@]1(CNC(=O)NNc2ccc(C#N)cn2)CCSC1	888471722	YFBSSEKNPAVYID-CQSZACIVSA-N	320.422	1.017	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(F)c(F)c1)[C@@H](C)S(C)(=O)=O	885113801	MWVHXTMHEKCBIJ-HTQZYQBOSA-N	306.334	1.477	50	20	DDGD	
O=C(NN=Cc1cc(Cl)cs1)C(=O)Nc1ccccn1	782249434	LXJSDBZCRCSPLW-UHFFFAOYSA-N	308.750	1.885	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCC[C@@H](O)c1ccccc1	887150481	MABHQIGVHDSDSR-OAHLLOKOSA-N	302.374	1.841	50	20	DDGD	
Cc1cc(C=NNC(=O)CNC(=O)c2ccco2)cc(Cl)n1	788713007	PESWRZOFKQTIGY-UHFFFAOYSA-N	320.736	1.517	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C2(C)COC2)c1C	782550076	YDILVDGVGRMPFF-LBPRGKRZSA-N	306.362	1.255	50	20	DDGD	
C[C@H]1CN(CC(=O)NNC(=O)c2cccs2)CC(C)(C)C1	784350901	SWPGGOZERVQXNX-LLVKDONJSA-N	309.435	1.877	50	20	DDGD	
COc1ccccc1[C@H](CO)NS(=O)(=O)CCCCCl	780795189	YTGSHOYHWGJALQ-LBPRGKRZSA-N	321.826	1.667	50	20	DDGD	
O=C(NN=Cc1cnc(-c2ccco2)s1)N1CCOCC1	782215835	VZPUYSMOLANTKY-UHFFFAOYSA-N	306.347	1.779	50	20	DDGD	
CSCC1(CCNC(=O)NNC(=O)C2CCOCC2)CC1	883719530	PQQSUWDCFOELGP-UHFFFAOYSA-N	315.439	1.277	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=S)NC2(C)CC2)c1	789175283	RZXKZZNCFZVVMI-UHFFFAOYSA-N	308.407	1.155	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2ccc(F)cc2Cl)C(=O)O1	896383913	WQPDOZJEKUTEER-LDWIPMOCSA-N	301.705	1.809	50	20	DDGD	
Cn1cc(C(=O)NN=C2CCOc3ccc(Cl)cc32)cn1	783846141	NAJCXHFHJZKKNQ-UHFFFAOYSA-N	304.737	1.990	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1CCC2(CCCO2)CC1	788015621	LXQBESFNJDQINH-MBIQTGHCSA-N	323.437	1.550	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1nnc(C(C)(C)C)s1	899996975	AZAPBMRCLNLHIJ-UHFFFAOYSA-N	315.468	1.743	50	20	DDGD	
CO[C@@H](C(C)=NNC(=O)C(=O)N1CCCC1)c1ccccc1	782219180	LFXGYBQOVCFMIH-AWEZNQCLSA-N	303.362	1.489	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCc1cnn(CC2CCC2)c1	896971019	YQHOHNBIJSEFBI-UHFFFAOYSA-N	323.397	1.922	50	20	DDGD	
CO[C@@H]1CCOC[C@H]1NC(=O)NC[C@@]1(C)C[C@@H]1Br	895924238	UGYIQLWIJLBLND-MWGHHZFTSA-N	321.215	1.263	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1ncncc1Cl)C(C)(C)C	781000187	XYAZVKJCQZAZRG-VIFPVBQESA-N	301.778	1.817	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)C(F)(F)C2(O)CCCC2)c1	786088046	HTSDLSVLXVTKPG-UHFFFAOYSA-N	323.299	1.260	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=S)Nc1cccc(F)c1	899484757	XYCCJXOHIBFZGE-VIFPVBQESA-N	315.370	1.195	50	20	DDGD	
COc1cncc(C(=O)NNC(=O)c2ccc3ccccc3n2)n1	790096575	GGPOKEBEPOHXSR-UHFFFAOYSA-N	323.312	1.108	50	20	DDGD	
C[C@@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)CBr	796114608	MPWWQVBTWSSAIT-NXEZZACHSA-N	311.245	1.227	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@@H]1CCCN1C1CCCC1	798314975	JJTSKODYMHLYPU-JTQLQIEISA-N	322.331	1.286	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)COC[C@H]1CCCO1	798310835	WXNCZZCSAPXPRP-GFCCVEGCSA-N	307.350	1.343	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)CC(F)(F)F)CN1CCCC1	790709084	NHLYNMCYFCTQEB-UHFFFAOYSA-N	324.347	1.391	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC(F)(F)C1)c1ccc(Cl)nc1	794958199	YCFCTRSTDXMJEQ-SSDOTTSWSA-N	303.696	1.931	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NN=C3C(=O)OC[C@@H]3C)n[nH]2)cc1	794894879	LQXIZUPRZHGJBF-JTQLQIEISA-N	312.329	1.664	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N=c2cc[nH]c(C)c2Cl)n1	797642873	MCDYGDQHWAOFNP-UHFFFAOYSA-N	319.752	1.635	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H](c1cccc(Cl)c1)N(C)C	1328338867	JCMQXRAAGZZEOF-LLVKDONJSA-N	314.842	1.410	50	20	DDGD	
CSc1ccccc1C(C)=NNC(=O)C(=O)N1CCCC1	1321668223	DLADFOGFNHBITO-UHFFFAOYSA-N	305.403	1.871	50	20	DDGD	
O=C(CO[C@H]1CCOC1)NNc1ncc(Cl)cc1Cl	1320421310	KFLYDQNZORKXNQ-QMMMGPOBSA-N	306.149	1.637	50	20	DDGD	
Cc1nc2cc(C(=O)NNc3nncc(N)c3Cl)ccc2o1	1326812468	SPHHDNNJXXBWPG-UHFFFAOYSA-N	318.724	1.919	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1)C1CC1	1329258368	RAFRBODBNINWDY-QMTHXVAHSA-N	324.352	1.556	50	20	DDGD	
O=C(NN=C1CCN(Cc2ccccc2)C1)C1CCOCC1	1330919146	QMSIJGARCNZPMX-UHFFFAOYSA-N	301.390	1.791	50	20	DDGD	
O=C(NCCc1cn[nH]c1)NNC(=O)c1cc2c(s1)CCC2	1261209828	RITOVSAZHXKPPD-UHFFFAOYSA-N	319.390	1.147	50	20	DDGD	
CON(C)C(=O)CCC(C)=NNC(=O)c1n[nH]c2c1CCCC2	1344438856	OMGFPOFBNIVYEM-UHFFFAOYSA-N	321.381	1.194	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)COc1cc(C)cc(C)c1	1356583357	DNAVCTLFZQISBS-LSDHHAIUSA-N	320.389	1.645	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2ccc3nc(O)oc3c2)CC1	1364804359	FSCAGZGFHOUISI-UHFFFAOYSA-N	305.315	1.378	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)[C@H]2C[C@@H]2F)cc1OC	1520735729	QNDZVCMIYDQTOY-RYUDHWBXSA-N	324.352	1.993	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@H]2C[C@H]3C=C[C@H]2C3)n1	1521207854	CMTMGZIZUACZER-RWMBFGLXSA-N	300.362	1.546	50	20	DDGD	
O=C(Cn1cc(C2CC2)nn1)NNc1ccc(C(=O)O)c(F)c1	1601383779	SXIXDABCMQCYOT-UHFFFAOYSA-N	319.296	1.136	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccc(-c2nn[nH]n2)o1	1609105863	CIFTYPSQZSWWNQ-UHFFFAOYSA-N	314.309	1.130	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@]23C[C@H]2COC32CCC2)ccc1F	1602287503	HKKXIOPDGZJSOI-FVMDXXJSSA-N	320.320	1.926	50	20	DDGD	
O=C(O)Cc1occc1C(=O)NN=c1cc[nH]c2cccnc12	1602155083	CGHJGJNYDQYAQP-UHFFFAOYSA-N	312.285	1.029	50	20	DDGD	
Cc1nn(C)c2nc(Cl)cc(NNC(=O)[C@H]3C[C@H]3C(=O)O)c12	1600776362	WWSGYPLHTMOANX-NKWVEPMBSA-N	323.740	1.094	50	20	DDGD	
O=C(NNC(=O)C(=O)O)N[C@H]1CCC[C@@H](c2ccccc2)C1	1601553087	UAWYRPJEVHNWNU-NEPJUHHUSA-N	305.334	1.128	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2cncc3nc[nH]c23)cc1	1602128570	OPCTYXFSHUWCJD-UHFFFAOYSA-N	311.301	1.342	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)C2(O)CCSCC2)c(F)c1	1602382285	DHGMWWDGONPWSH-UHFFFAOYSA-N	314.338	1.225	50	20	DDGD	
CCOC(=O)C1(CC(=O)NNc2ccc(C(=O)O)cn2)CCC1	1610015609	XZIIAOWTJYBBER-UHFFFAOYSA-N	321.333	1.346	50	20	DDGD	
O=C(NN=C1CCOc2ccccc21)[C@H]1CN2CCC[C@@H]2CO1	1549315516	NSWZMFOZIAEJDZ-MLGOLLRUSA-N	315.373	1.153	50	20	DDGD	
C/C(=C/C(=O)NN(C)C(=O)N1CCNCC1)c1cccc(F)c1	1574972382	LCUWGZCRYLMBFK-BENRWUELSA-N	320.368	1.217	50	20	DDGD	
C=CC[C@@H](NNC(=O)[C@@H](C)Oc1cccc(C)c1C)C(=O)O	1588750308	VRYSAIKSIDDKNF-CHWSQXEVSA-N	306.362	1.721	50	20	DDGD	
O=C(CC[C@@H]1CCCNC1)NNC(=O)c1c[nH]c2ccccc12	1580529139	XPQRKGRTMIANPA-LBPRGKRZSA-N	314.389	1.709	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2N1)c1ccccc1F	1580733032	MELZXWHTYHXCOS-GLQYFDAESA-N	319.380	1.898	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1ccc2[nH]nc(C(=O)O)c2c1	1596864747	WFKBISBPKUHPQS-FPLPWBNLSA-N	300.274	1.644	50	20	DDGD	
CCOc1cc(C=NNC(=O)C(=O)O)cc(Cl)c1OC	1597033161	KPGGDGMNUAJFIL-UHFFFAOYSA-N	300.698	1.282	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CC(C)C)cc(-c2nn[nH]n2)c1	1592027602	VTONBAJOGBTTMY-UHFFFAOYSA-N	317.353	1.374	50	20	DDGD	
CC[C@H]1CCC[C@]1(C)C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1590506087	CMOSRXZMQOIKOO-NHYWBVRUSA-N	315.381	1.921	50	20	DDGD	
CC1(C)CC[C@@H](CNC(=O)NNc2cccc(C(=O)O)c2)O1	1593878720	XINVKIYROIGKQP-LBPRGKRZSA-N	307.350	1.969	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1n[nH]cc1C(F)(F)F	1595262189	UKFKADBONUXANI-UHFFFAOYSA-N	315.211	1.279	50	20	DDGD	
CC(=NNC(=O)c1ccc(O)nc1)c1csc(C(=O)O)c1	1776094273	KHJQPSRCYODABX-UHFFFAOYSA-N	305.315	1.701	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NN=Cc1ccccc1C(=O)O	1776098653	SCCOTAITPLRNSV-ZDUSSCGKSA-N	303.362	1.708	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2snc(C)c2C(=O)O)n1	1776026202	GAQXPZLXRIQUTH-UHFFFAOYSA-N	321.362	1.113	50	20	DDGD	
O=C(O)CCOc1cccc(C=NNC(=O)c2cnsn2)c1	1776105338	ZGYHXKNBRNUUJE-UHFFFAOYSA-N	320.330	1.156	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2cccc3ccccc23)[nH]n1	5818213	DSIDSBOPDASLMJ-UHFFFAOYSA-N	324.340	1.711	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cc(-c2ccc(Cl)cc2)n[nH]1	14290344	BHRNFJDXHXPDIQ-UHFFFAOYSA-N	304.737	1.901	50	20	DDGD	
CC(=O)NNC(=O)Nc1c(C)cccc1C(=O)N1CCCC1	161690163	BWYCHJJYBQUHDL-UHFFFAOYSA-N	304.350	1.404	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN[C@H]1CCCC[C@@H]1C	162416982	AKLGQRNGZAYWLM-HOCLYGCPSA-N	317.433	1.853	50	20	DDGD	
CCN(CC(=O)NNC(=O)Cn1ccc2ccccc21)C1CC1	152251163	MZJPXGGXZUDMCG-UHFFFAOYSA-N	314.389	1.273	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2cn(-c3ccccc3)nn2)c1	152264563	OWVNXINKHNAHEF-UHFFFAOYSA-N	304.313	1.896	50	20	DDGD	
CSCc1ccc(C(=O)NNC(=O)c2cc(C)n[nH]2)cc1	152968850	OCKDUHPNJSOXFM-UHFFFAOYSA-N	304.375	1.656	50	20	DDGD	
O=C(Cc1ccccc1Cl)NNc1ncnc2nc[nH]c12	156230130	QQRKWFZYCZCDMB-UHFFFAOYSA-N	302.725	1.692	50	20	DDGD	
COc1ccc(NNC(=O)Cc2ccccc2O)c([N+](=O)[O-])c1	155367746	ZYNIZCFWBBDOOC-UHFFFAOYSA-N	317.301	1.995	50	20	DDGD	
CC(C)(CNC(=O)OC(C)(C)C)NS(=O)(=O)CCl	830387491	FQMYDXXIBALSOI-UHFFFAOYSA-N	300.808	1.405	50	20	DDGD	
CN(NC(=O)c1cc(Br)cc(Cl)c1O)C(N)=O	179694211	SFMZJOQVMIAEMX-UHFFFAOYSA-N	322.546	1.463	50	20	DDGD	
C[C@@H](NC=C(C#N)C#N)c1ccc(S(=O)(=O)N(C)C)cc1	55010608	YAPYKSPARJOUGG-LLVKDONJSA-N	304.375	1.519	50	20	DDGD	
C/C(=C\c1ccccc1Cl)C(=O)NNC(=O)c1cnn(C)c1	178933705	VCGUSOPGXXUAII-JXMROGBWSA-N	318.764	1.938	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COc2ccccc2C#N)n1	25638707	UCTXAMZKMSFIQT-UHFFFAOYSA-N	310.313	1.102	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)c1ccccc1F	25433771	HNNIICYSYYPFGR-UHFFFAOYSA-N	323.368	1.529	50	20	DDGD	
O=C(NNC(=O)c1cnc(-c2ccccc2)s1)NC1CC1	68266654	BDEDOWXNCXQDPV-UHFFFAOYSA-N	302.359	1.917	50	20	DDGD	
C[C@H](Oc1cccnc1)C(=O)NNC(=O)Cc1ccc(F)cc1	117743788	GQZLECYLGMFZIP-NSHDSACASA-N	317.320	1.378	50	20	DDGD	
CCCN(CCC)CCCC(=O)NNc1ncnc2nc[nH]c12	173933283	RKPLOWGQQXVOMR-UHFFFAOYSA-N	319.413	1.698	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2cc(C)nc(C)n2)C1	175245202	TYHULWURQGZLOT-VXGBXAGGSA-N	306.366	1.516	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C1(C#N)CCOCC1)c1ccccc1	110337952	VGPUYJFHBSMLQY-CQSZACIVSA-N	315.373	1.648	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2C[C@@]23CCc2ccccc23)[nH]n1	178370118	ZPCZPCLOCLLORL-CXAGYDPISA-N	310.357	1.383	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@H]1C[C@@H]1C1CC1	176456396	CNWMEBSJDRJJLV-OLZOCXBDSA-N	318.373	1.658	50	20	DDGD	
O=C(CCc1cnn(-c2ccccc2)c1)NNc1cnccn1	114879379	QGCNGXRSMGVSLZ-UHFFFAOYSA-N	308.345	1.738	50	20	DDGD	
CC(C)[C@H](C)C(=O)NNC(=O)c1cc(Br)c[nH]1	171958349	XFTGMGUKXZWUSE-ZETCQYMHSA-N	302.172	1.830	50	20	DDGD	
O=C(CCl)NCCCCN1CCN(Cc2ccccc2)CC1	309580025	VFURRRLVPWDRGU-UHFFFAOYSA-N	323.868	1.939	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc(Br)o1	61527329	KGOOKYRMBZFULD-UHFFFAOYSA-N	312.123	1.455	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(F)c(F)cc1F)N1CCSCC1	179186156	ZMOZMPWGCHFYCF-QMMMGPOBSA-N	319.352	1.984	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)c1ccc(F)cc1	120496990	HPSAKCVQULMCNM-UHFFFAOYSA-N	304.277	1.371	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)/C=C(/C)C1CC1	129834665	YHJWRNWXTJQJEX-LUAWRHEFSA-N	304.346	1.578	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1c[nH]nc1C)c1ccc(F)cc1	124968651	RVOLNQAHBLLLMR-LBPRGKRZSA-N	304.325	1.812	50	20	DDGD	
CCCN1CCC[C@H]1C(=O)NNC(=O)CCOc1ccccc1	126151978	CDLWDJYZNRQXED-HNNXBMFYSA-N	319.405	1.477	50	20	DDGD	
CC/C=C(\C)C(=O)NNC(=O)COc1ccccc1OCC	73820996	MPTGMBPJVSXGSF-XYOKQWHBSA-N	306.362	1.968	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNC(=O)CNc2ccccc2)c1	120936984	BNWIOAKLLLQDAB-UHFFFAOYSA-N	300.318	1.090	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccnc(OCC(F)F)c1	123053002	JYDPXPKBNOJNHL-UHFFFAOYSA-N	313.239	1.412	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc(C)c(F)c2)nn1	123737842	FXWSARDILSRGFE-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
CC[C@H](CC(=O)NNC(=O)Cc1cc[nH]n1)c1ccccc1	186121802	NHTWEBOKFGDDAB-GFCCVEGCSA-N	300.362	1.684	50	20	DDGD	
N#Cc1cc(F)ccc1NC(=O)C(=O)NNc1ccc(F)cc1	181365289	WKYIJHURIBKSLD-UHFFFAOYSA-N	316.267	1.918	50	20	DDGD	
CN(NC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1)C(N)=O	181093120	DJRSZMQOFAKDKJ-NXEZZACHSA-N	312.167	1.594	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)n1	130614939	MANBIFSLLPOWAL-OLZOCXBDSA-N	305.382	1.677	50	20	DDGD	
O=C(NNc1cccnn1)N[C@@H]1CCCN(c2ccccc2)C1	77601890	PQCKBTHHHCIVHS-CYBMUJFWSA-N	312.377	1.772	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)/C=C/c1cnc(C(C)(C)C)s1	190049032	CLNFYVSIPFNIGL-VOTSOKGWSA-N	311.407	1.372	50	20	DDGD	
COc1nccnc1NNC(=O)c1cccc(CN(C)C)c1	132181121	CFHSPRRXJHMQKZ-UHFFFAOYSA-N	301.350	1.304	50	20	DDGD	
CN1CCO[C@@H](C(=O)NNc2cccc(C(F)(F)F)c2)C1	85504187	WSTRSDGYYACLOY-LLVKDONJSA-N	303.284	1.479	50	20	DDGD	
O=C(NNc1ccccn1)N[C@@H]1CCN(C(=O)C2CCCC2)C1	135189983	HGJYXVRGHZCSLH-CYBMUJFWSA-N	317.393	1.499	50	20	DDGD	
O=C(CN1CCCCCCC1=O)NNC(=O)NC1CCCCC1	194371741	YYGUYZNSHKRCQI-UHFFFAOYSA-N	324.425	1.442	50	20	DDGD	
CCNS(=O)(=O)[C@H]1CCN(/C(=C/C#N)c2ccccc2)C1	92843764	RDGXIJVHLRAGCY-GFKDLEGOSA-N	305.403	1.565	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C\c2nccn2CC(F)(F)F)n1	255217765	XVSQLSXBFJLRDY-TWGQIWQCSA-N	324.266	1.725	50	20	DDGD	
CCc1ccc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)cc1	254495227	LBMTXNNRZKOYLR-UHFFFAOYSA-N	320.356	1.989	50	20	DDGD	
CN(C)[C@@]1(CNC(=O)NNC(=O)c2ccccc2)CCSC1	267188530	OAPHBXNBAMDZRZ-OAHLLOKOSA-N	322.434	1.068	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCCCN2C(=O)C(C)C)o1	267828975	JOZNFAUDSOLYDU-GFCCVEGCSA-N	321.377	1.386	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)c2cccc3ncccc23)O1	268198191	TVGPIJVTLOHRTD-IAQYHMDHSA-N	313.357	1.953	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)c1ccc(Cl)cc1O	269502198	RDAUJJPJPSYXMG-JTQLQIEISA-N	302.783	1.948	50	20	DDGD	
CCC(CC)CNC(=O)NNC(=O)c1ccc2c(c1)OCCO2	264354497	ZQNKAGDVVOAQAZ-UHFFFAOYSA-N	321.377	1.838	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C(=O)N1CCCC1)c1cccc(Cl)c1	266086178	HTXYXTYKVTVRBL-JTQLQIEISA-N	323.780	1.213	50	20	DDGD	
O=C(Nc1cccc(C(=O)NNC(=O)C2CCC2)c1)NC1CC1	264758373	MKIWVNJXWAJOLN-UHFFFAOYSA-N	316.361	1.532	50	20	DDGD	
CCCC[C@H](CC)C(=O)NNC(=O)C(=O)Nc1ccccn1	268279428	OZAVMMBQIWMRJL-NSHDSACASA-N	306.366	1.384	50	20	DDGD	
CC[C@H](C)[C@@H](O)CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	268596753	LTKRFZGOJHLTDZ-JGEIXWAWSA-N	314.389	1.635	50	20	DDGD	
CC(=O)NNC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1	269503679	FTYSZKOLUCTBOF-CYBMUJFWSA-N	321.377	1.810	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1C(=O)NNC(=O)C(=O)Nc1ccccn1	279864637	KUNCPFXKLNIOCK-NEPJUHHUSA-N	318.377	1.384	50	20	DDGD	
C/C=C/C[C@H](CO)NC(=O)NNC(=O)C(C)(C)c1ccccc1	274614055	VBFKMNJBARTIAQ-ISZGNANSSA-N	319.405	1.622	50	20	DDGD	
CCC[C@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)C(C)C	270717236	JOPKSDQEPPECHH-VIFPVBQESA-N	306.370	1.584	50	20	DDGD	
O=C(NC[C@H]1CCC2(CCCCC2)O1)NNC(=O)c1ccc[nH]1	277305872	SJUQANDRIXLZFB-GFCCVEGCSA-N	320.393	1.841	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@H]2CCCN2C2CCCC2)n1	273346099	BJOWTHZTZCKZOB-SNVBAGLBSA-N	324.816	1.562	50	20	DDGD	
CC(C)c1cc(NC(=O)NNC(=O)Cc2cccnc2)no1	273452857	GKMJVQJBKQLFAN-UHFFFAOYSA-N	303.322	1.588	50	20	DDGD	
CS(=O)(=O)CC(=O)NNc1ccccc1OC(F)(F)F	275150107	SAKHYAPMAQISJC-UHFFFAOYSA-N	312.269	1.073	50	20	DDGD	
Cc1cccnc1NNC(=O)CCNC(=O)OCC(F)(F)F	276743471	OPDNEMDYKQEPRA-UHFFFAOYSA-N	320.271	1.512	50	20	DDGD	
CC[C@H]1C[C@@H](CC(=O)NNc2ncnc3nc[nH]c23)CCO1	272809637	CDWBOTBKZPHVFF-UWVGGRQHSA-N	304.354	1.391	50	20	DDGD	
Cc1cc(N(C)C)ccc1NC(=O)C(=O)NNC(=O)C(C)(C)C	271731827	SLNJNXNMWCADMN-UHFFFAOYSA-N	320.393	1.193	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCC1(N(C)C)CCC1	275406872	FPOSMNHZFBBMDQ-UHFFFAOYSA-N	320.393	1.124	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C[C@H]1CCC(=O)[C@H]1C	280120634	WUJIRZPUNOUJEN-NWDGAFQWSA-N	318.373	1.390	50	20	DDGD	
CC(C)NC(=O)NNC(=O)C(C)(C)COCc1ccccc1	282303271	SSRCTVVXEHWWRT-UHFFFAOYSA-N	307.394	1.968	50	20	DDGD	
O=C(NNC(=O)N1CC[C@@H](C2CCOCC2)C1)c1ccccc1	371108157	IEERCXBEGYBYQE-OAHLLOKOSA-N	317.389	1.790	50	20	DDGD	
C=CC[C@H](CC)NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	281327166	LBCMKGJFDFZBBS-FZMZJTMJSA-N	319.361	1.512	50	20	DDGD	
Cc1nc2cc(C(=O)NNC(=O)NCC(F)(F)F)ccc2o1	281350486	VJLCULUBOGDPNI-UHFFFAOYSA-N	316.239	1.643	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1	286247384	GUNSBSPFHBGTON-LLVKDONJSA-N	313.260	1.187	50	20	DDGD	
C[C@H](C(=O)NNc1cnccn1)C1CN(C(=O)OC(C)(C)C)C1	287336054	FBFGTLGVMGDVRT-JTQLQIEISA-N	321.381	1.423	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2cc3n(n2)CCCC3)n1	287500117	YDEYTBNXHIWCJG-UHFFFAOYSA-N	301.354	1.775	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H]1O[C@H](C)C[C@@H]1C	282586221	GLTIAJCNEHKLNB-OPQQBVKSSA-N	323.418	1.826	50	20	DDGD	
O=C(NNc1ncccc1F)C(=O)Nc1cccc2[nH]ccc12	807300953	ZKPJBFKXFYZLBU-UHFFFAOYSA-N	313.292	1.784	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)Cn1cc(Cl)cn1	807080098	NSKFBHIGRVBAAC-UHFFFAOYSA-N	306.753	1.235	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2c(F)cccc2Cl)O1	294288520	QBZATTBJJDUDIR-XVKPBYJWSA-N	300.717	1.808	50	20	DDGD	
Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)CC3CC3)cn2)n1	294046531	FKJFGPZZBKJQKW-UHFFFAOYSA-N	313.361	1.445	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@@H](C)CCOCc1ccccc1	807607931	TVAIJYGWIXGNTR-ZDUSSCGKSA-N	307.394	1.968	50	20	DDGD	
CSc1nc(C(=O)NNC(=O)CC(C)C)c2ccccn12	299059934	RMAZYFGMJJDYSF-UHFFFAOYSA-N	306.391	1.863	50	20	DDGD	
CCc1cc(NC(=O)NNC(=O)c2cc(C)[nH]n2)ccc1F	806554901	HCBHSAARIDZHIH-UHFFFAOYSA-N	305.313	1.886	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2nc(C)oc2C)n1	294947259	MIOYUBUINSKMIN-UHFFFAOYSA-N	304.354	1.685	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1cccnc1F	807154567	MESOEZLCAUWKPG-UHFFFAOYSA-N	301.203	1.786	50	20	DDGD	
COCCN(C)NC(=O)c1cccc(NC(=O)NC2CC2)c1	293539426	FUPXNOMREMMKLZ-UHFFFAOYSA-N	306.366	1.194	50	20	DDGD	
Cc1ccc2[nH]cc(C(=O)NNC(=O)C(C)(C)C)c(=O)c2c1	804264783	LOSDQZNNORWHGT-UHFFFAOYSA-N	301.346	1.644	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)CCC1CC1	294526685	FOWROXKNLUOYGF-UHFFFAOYSA-N	311.407	1.570	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)Cc2cncn2C)c(Cl)c1	802048649	VKSCJVVWFVXMKX-UHFFFAOYSA-N	321.768	1.777	50	20	DDGD	
CC(C)(C(=O)NNC(=O)Nc1ccc2c(c1)OCO2)C(F)F	802097627	PRGVEXMYVZJVTN-UHFFFAOYSA-N	315.276	1.859	50	20	DDGD	
C[C@H](C(=O)NNc1ncccn1)[C@@H]1OCCc2sccc21	293028176	QFAFFIAAUDVECB-CABZTGNLSA-N	304.375	1.931	50	20	DDGD	
Cc1ccc2cccc(C(=O)NNC(=O)N=c3cc[nH]cc3)c2n1	802031503	GIFIAMXGBFASNO-UHFFFAOYSA-N	321.340	1.827	50	20	DDGD	
C#Cc1cncc(C(=O)NNC(=O)CCCc2ccccc2)c1	806773176	GPOOKHDPNUYMEY-UHFFFAOYSA-N	307.353	1.847	50	20	DDGD	
C=CCOc1cccc(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	292780682	ZBAYLSGJMWZWAZ-FZMZJTMJSA-N	319.361	1.972	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2cc(C3CC3)n(C)n2)O1	297365840	JSEXIFZJMJHDTF-KWQFWETISA-N	307.354	1.018	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCC(C)(C)C2)cc1	801111967	XQWYAIWLTFVCHS-GFCCVEGCSA-N	317.389	1.907	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H](C)CCCCN	292212205	ZAISLAKBMNROFH-SNVBAGLBSA-N	300.834	1.986	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)cc1F	802025940	QNOBAMSJOQBTSE-UHFFFAOYSA-N	304.281	1.118	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1ncn(C)n1	815656793	GPSADGNPPPTXRL-UHFFFAOYSA-N	316.365	1.329	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNC(=O)C3CCC3)(CC1)CC2	815553194	UHJAYPJQSOAMFC-UHFFFAOYSA-N	308.378	1.448	50	20	DDGD	
CC(C)(C)C(=O)Nc1nccnc1C(=O)NNC(=O)CC1CC1	819122892	KWCBOXYKYSECRA-UHFFFAOYSA-N	319.365	1.022	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)CC1)c1cc2ccccc2o1	814866866	IFYXKQSRDWXOJV-UHFFFAOYSA-N	306.343	1.727	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncncc1F)c1cccc(C#N)c1	814308747	RODWFJXYXRGKCV-SECBINFHSA-N	300.297	1.875	50	20	DDGD	
COC1([C@@H](C)NC(=O)NNc2cccc(C#N)c2)CCOCC1	817808058	FDOFIUTWYUMKLI-GFCCVEGCSA-N	318.377	1.768	50	20	DDGD	
CN1CCN([C@H](C(=O)NN(C)C2CC2)c2ccccc2)CC1	819647572	OYGGAVVXBXVDKA-INIZCTEOSA-N	302.422	1.101	50	20	DDGD	
CN(C/C=C/C(=O)NNc1ncc(F)cn1)CC(F)(F)F	815881730	XKSYBDIZBRINSN-NSCUHMNNSA-N	307.251	1.109	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccc([N+](=O)[O-])c2cccnc12	816771555	RCLSQNPJBJPIRP-UHFFFAOYSA-N	313.277	1.028	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1nnc(C2CC2)s1	726872761	ULAXWCZUKLTDOQ-UHFFFAOYSA-N	304.335	1.277	50	20	DDGD	
Cc1ccc(-c2n[nH]cc2C=NNC(=O)N=c2cc[nH]cc2)o1	815002668	MAACVCVTQRLSLR-UHFFFAOYSA-N	310.317	1.951	50	20	DDGD	
Cc1ncsc1C(=O)NNc1nc(-c2ccncc2)no1	726369954	JRAZSJYJITWHSY-UHFFFAOYSA-N	302.319	1.653	50	20	DDGD	
CCN(C)C(=O)c1cccc(C(=O)NNC(=O)NCC2CC2)c1	729344623	YRYPSYFYPDYVBT-UHFFFAOYSA-N	318.377	1.133	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)C[C@@H]1COC(=O)C1	822727494	CDYTYLKBFJFGCV-QMMMGPOBSA-N	310.281	1.009	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)nc(N)n1	828371618	LXNXCJVKZLPSDE-SZQXGKNRSA-N	311.389	1.204	50	20	DDGD	
Cc1csc(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)n1	826321286	YTVDVTZLPPASEO-UHFFFAOYSA-N	313.346	1.396	50	20	DDGD	
CCN(CC(=O)NNC(=O)C(C)C)Cc1ccc2c(c1)OCO2	827400732	RNMJALNYDUBLAQ-UHFFFAOYSA-N	321.377	1.041	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1c(O)cccc1O	826448475	XFUSDPPAAYYUQL-UHFFFAOYSA-N	312.289	1.035	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C\c1ccc(OC)c(OC)c1OC	490587715	HLUWQXFUWYWFHQ-XFXZXTDPSA-N	302.330	1.922	50	20	DDGD	
O=C(C[C@H](n1cccn1)C(F)(F)F)NNC(=O)NCC1CC1	823804323	MVIFHISJOFKVBU-VIFPVBQESA-N	319.287	1.117	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1ccc(F)c(F)c1	825942997	RRQVZEBCSRIQIV-WPRPVWTQSA-N	313.304	1.220	50	20	DDGD	
CC(C)[C@@H]1C[C@H](C(=O)NNC(=S)NCC2CCC2)CCO1	824437666	XYTIEKVUJXDDRE-OLZOCXBDSA-N	313.467	1.733	50	20	DDGD	
O=C(NCc1ccco1)NNC(=S)NCCc1ccccn1	726131724	PGPACVQKKQFNOD-UHFFFAOYSA-N	319.390	1.096	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@H](C)Oc1cccc2ccccc12	821217380	IJJULLVOALYAMY-CHWSQXEVSA-N	302.374	1.951	50	20	DDGD	
CCN(CCO)NC(=O)c1n[nH]c(C2CC2)c1Br	823852888	QYGJCTUOBYEZOW-UHFFFAOYSA-N	317.187	1.009	50	20	DDGD	
CC(C)C[C@@H]1C[C@H]1C(=O)NNC(=O)CNC(=O)OC(C)(C)C	496945994	RJKNMKHBWAGCSQ-GHMZBOCLSA-N	313.398	1.341	50	20	DDGD	
COc1cccc(C2(C(=O)NN(C)[C@H](C)CO)CCCC2)c1	823959308	FVJNWRQOLXKJHZ-CYBMUJFWSA-N	306.406	1.851	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1CCC(C2CCCC2)CC1	584956147	TZMGTTJKSAKMSB-UHFFFAOYSA-N	319.185	1.548	50	20	DDGD	
CCCO[C@@H](C(=O)NN(C)C[C@H](C)O)c1ccc(F)cc1C	822557913	OPUAOQQMYWUGRY-SWLSCSKDSA-N	312.385	1.946	50	20	DDGD	
O=S(=O)(CCl)NCc1ccnc(N2CCCCC2)c1	820786641	QDEGRLJNDCOILE-UHFFFAOYSA-N	303.815	1.688	50	20	DDGD	
O=C(CNC(=O)N1CCCC1)NNc1cccc2c1CCCC2	901165537	VTSGXPAODZBDSD-UHFFFAOYSA-N	316.405	1.814	50	20	DDGD	
Cc1ncsc1CN(C)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	827301031	VNPKTWDMMZYQHL-VHSXEESVSA-N	312.395	1.049	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cnn(C2CCC2)c1	901165934	QOLFGYOKNBZKJM-UHFFFAOYSA-N	304.379	1.719	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1cnc2ccsc2c1	739412470	BKBUXKFPFAEXIL-UHFFFAOYSA-N	316.386	1.759	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@@H]1CC1(F)F	822203996	ZEUCPKHYCUPXSC-VIFPVBQESA-N	322.315	1.401	50	20	DDGD	
O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NNC(=O)C1CCCC1	491093677	RPODSACSFJPDIP-YFHOEESVSA-N	303.318	1.946	50	20	DDGD	
CC1=C(C(=O)NNC(=O)Cc2ccccc2F)C(=O)OC1(C)C	731328191	XNXPRGYHBQZYBP-UHFFFAOYSA-N	320.320	1.168	50	20	DDGD	
CC(C)C[C@]1(CO)CCCN1C(=O)/C(C#N)=C/c1cnn(C)c1	491103741	LUCAGLOTRXXYFO-QRMGNNRRSA-N	316.405	1.727	50	20	DDGD	
COC(=O)c1cc(/C=C(/C#N)C(=O)Nc2nccs2)cn1C	491175534	LHHDFJKRJBNJDO-YHYXMXQVSA-N	316.342	1.814	50	20	DDGD	
CCS(=O)(=O)CC(C)=NNC(=O)[C@@H](C)CN1CCCCC1	733744159	BHFHGVKRWPTZMR-LBPRGKRZSA-N	317.455	1.035	50	20	DDGD	
CC[C@@H](Cc1ccccc1)N(C)C(=O)c1cccc(B(O)O)c1	584952109	MLXKNCLQJAELRZ-KRWDZBQOSA-N	311.190	1.460	50	20	DDGD	
Cc1ccc(F)c2c1C(=NNC(=O)NCc1ccco1)C(=O)N2	732712986	UQBQMPBWGIFIIL-UHFFFAOYSA-N	316.292	1.883	50	20	DDGD	
CS[C@H]1CCCC(=NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1	901172632	JKSGQUOVPZPOOA-QWRGUYRKSA-N	319.452	1.134	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1c[nH]nc1-c1ccncc1	734261679	UFZMXGYTLJZFPR-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
O=C1[C@@H](NS(=O)(=O)CCl)CCN1c1c(F)cccc1F	830844712	GKVINMXGLAGTMP-VIFPVBQESA-N	324.736	1.186	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NCc2cocn2)cc1	730831095	WYJDPEVSHHXHHF-UHFFFAOYSA-N	318.333	1.146	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCC(C)CC1)c1cnccn1	734745859	QIQDFEIDHJWMNG-CYBMUJFWSA-N	303.410	1.685	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1nc2c(s1)CCCC2	831072190	MDUGWSAYQXLKEU-IUCAKERBSA-N	324.406	1.600	50	20	DDGD	
CC[C@H](CC(C)C)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	839225807	PSAZKWQSTGWWTL-OLZOCXBDSA-N	304.456	1.551	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H]1CCC[C@H]1OC	836292025	LJUZCHPAQHOISV-DGCLKSJQSA-N	307.350	1.207	50	20	DDGD	
O=C(O)[C@@H](NNC(=O)[C@H]1Cc2ccccc2O1)c1ccccc1	738506956	PTOLVJOZFAZTIL-CABCVRRESA-N	312.325	1.437	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)[C@@]2(C)C[C@H]2Br)CN1C1CC1	906942543	UPMUFWPNMPIRCF-PFWNZEGQSA-N	301.228	1.901	50	20	DDGD	
O=C(c1cc(Cl)cc(Cl)c1F)N1CC[C@H](B(O)O)C1	585066622	MNFHPZHUERYQLT-LURJTMIESA-N	305.929	1.821	50	20	DDGD	
Cc1oc(-c2ccccc2F)nc1C(=O)NNC(=O)NC1CC1	737816130	BUHQUYQHZVRRKT-UHFFFAOYSA-N	318.308	1.896	50	20	DDGD	
C[C@H]1C[C@H](C)N(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	839495657	TZBRRQDTSUTDOU-QWRGUYRKSA-N	320.349	1.086	50	20	DDGD	
O=C(N[C@H]1C[C@H]2CCCc3cccc1c32)c1ccc(B(O)O)cc1	584969785	PNNUTWKCCFSOCU-PBHICJAKSA-N	321.185	1.661	50	20	DDGD	
CC(C)(CNC(=O)c1cc(B(O)O)ccc1F)C1=CCCC1	585001021	SRKYGTKHXHONFP-UHFFFAOYSA-N	305.158	1.372	50	20	DDGD	
Cc1cc(C(=O)N2CCN(S(=O)(=O)CCl)CC2)c(C)o1	830181601	RAISATYZKZXPNU-UHFFFAOYSA-N	320.798	1.180	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@H]1CCN1C(=O)OC(C)(C)C	832139225	SCQHHYAUZKVGIS-NLYDNYMLSA-N	309.366	1.556	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cccc(-n2cccc2)c1	833262876	ZGWORYSQYPIIKS-OAHLLOKOSA-N	313.357	1.807	50	20	DDGD	
CC[C@@H]1C[C@H]1CNC(=O)NNC(=O)[C@H]1COc2ccccc2O1	836594269	UAEXTJDKRMUGNN-UHIISALHSA-N	319.361	1.203	50	20	DDGD	
COc1cc(C#N)ccc1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	831672700	PMARMMKWUPBLMM-MWLCHTKSSA-N	318.333	1.145	50	20	DDGD	
Cc1ncsc1C=NNC(=O)CNC(=O)c1cccs1	743438761	QLOANBZANUYCIC-UHFFFAOYSA-N	308.388	1.393	50	20	DDGD	
CCN(CC)CCC(=O)NN=C(CO)c1ccc(F)cc1F	749612747	RSFFXYDTSZLRGZ-UHFFFAOYSA-N	313.348	1.509	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2cccc3c2OCCO3)cs1	917538712	RNTAZRNOYMALJC-UHFFFAOYSA-N	317.370	1.916	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H](C)c2ccn(C)n2)cc1	838773929	QROGYASIIFIECX-LLVKDONJSA-N	315.377	1.688	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)NCC(F)(F)F)C(=O)N2	917552335	QLOLMODPNPINRF-UHFFFAOYSA-N	316.239	1.213	50	20	DDGD	
CC(C)c1ccc(C=NNC(=O)Cc2cc(O)nc(O)n2)cc1	743447756	MZFFEIQXAYGUPO-UHFFFAOYSA-N	314.345	1.704	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@H](C)NC(=O)NNc1nc(C)cc(C)n1	840416519	MLLFFMTUUQKYHR-XHDPSFHLSA-N	307.398	1.923	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)c2cccc(C)n2)CCCC1	843586882	DVZMGODUWPUBMQ-UHFFFAOYSA-N	319.361	1.275	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N2)C1	910055762	WHEOBICHSQALHL-NEPJUHHUSA-N	312.486	1.888	50	20	DDGD	
C[C@@H](N)CNC(=O)NNc1ccc(Br)c(F)c1	841984004	HJCMYEZXJIUFOQ-ZCFIWIBFSA-N	305.151	1.562	50	20	DDGD	
CC(C)(C)C[C@H](NC(=O)NNC(=O)CCCN)C(F)(F)F	841192258	PZLKRPXZZJNGMA-QMMMGPOBSA-N	312.336	1.423	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(OC(=O)NCCCSC#N)C1	917007534	QNVGJPYXVQOAQP-UHFFFAOYSA-N	315.395	1.936	50	20	DDGD	
Cc1occc1C=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1	841614720	PDZOMFWDVAMNQA-UPJWGTAASA-N	307.394	1.783	50	20	DDGD	
O=C(CNC(=O)C1CC1)NNc1ccc(Cl)cc1Cl	748017986	AVIVOHOOXDGZFN-UHFFFAOYSA-N	302.161	1.963	50	20	DDGD	
Cc1ccc([C@@H](O)CNC(=O)NNC(=O)c2ccccc2)o1	741270130	PVVWVGDKSAYBAU-LBPRGKRZSA-N	303.318	1.266	50	20	DDGD	
Cc1nnc(O)c(C(=O)NNc2cccc([N+](=O)[O-])c2)c1C	748001678	BEJSFIPXWKPKJE-UHFFFAOYSA-N	303.278	1.464	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)Cn1ccc2ccccc21	918690429	UDGXVUPJDZEMOB-UHFFFAOYSA-N	304.419	1.935	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=C1CCc2c(F)cccc21	743445647	DNTXTJZQCNIJDD-UHFFFAOYSA-N	316.292	1.036	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN(Cc1ccc(F)cc1)C1CC1	744385868	XPPKPBLHHQYTSI-UHFFFAOYSA-N	321.396	1.984	50	20	DDGD	
CN(C)C1(CNC(=O)NNC(=O)CC(F)(F)F)CCCC1	918057400	LPGSVMUYXPTPHV-UHFFFAOYSA-N	310.320	1.144	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)C1(CCOCc2ccccc2)CC1	910161061	RALCSVOPQHOOIT-CQSZACIVSA-N	306.406	1.717	50	20	DDGD	
Cc1ccccc1[C@@H]1C[C@H]1NC(=O)NNC(=O)c1ncccn1	845380093	OZQAHVRUYYQQFZ-QWHCGFSZSA-N	311.345	1.285	50	20	DDGD	
CN(C)c1ncc(C(=O)NNC(=O)C2CCCC2)cc1Cl	846813824	LIRSYVMSJWSZHY-UHFFFAOYSA-N	310.785	1.752	50	20	DDGD	
Cc1cccc2c1CN(C(=O)NNC(=O)c1ncccn1)CC2	841592872	YRJULLFVAKVNSO-UHFFFAOYSA-N	311.345	1.198	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2csnn2)o1	746493641	FSUTZAOXMXYSCF-UHFFFAOYSA-N	307.379	1.737	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](C)Cc1ccncc1	749620881	QBHIOFDCIJNNQW-CYBMUJFWSA-N	312.373	1.965	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1	748702807	DNWRLGZLXVSZDW-UHFFFAOYSA-N	314.345	1.600	50	20	DDGD	
CO[C@@H](CS(=O)(=O)NNC(=O)C1CCC1)C1CCCCC1	849307806	GXOQQLJUJONMOK-ZDUSSCGKSA-N	318.439	1.332	50	20	DDGD	
CCOCCOCCNS(=O)(=O)CC(C)(C)CCl	921888335	KAGSNLMTFBKEMY-UHFFFAOYSA-N	301.836	1.224	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1	842556353	AOGFUFCWGBLZMP-MWLCHTKSSA-N	306.322	1.442	50	20	DDGD	
Cc1c(C(=O)NNC(=O)Cc2ccncc2)cnc2ccccc12	748720753	FETRPLCHNKLGNS-UHFFFAOYSA-N	320.352	1.942	50	20	DDGD	
O=C(NNC(=O)c1ncccn1)Nc1cccc2c1CCCC2	841596736	VECWDAWXOQRXKW-UHFFFAOYSA-N	311.345	1.822	50	20	DDGD	
COc1ccc(CCC(=O)NN=C2C[C@@H](C)n3ncnc32)cc1	841620930	OHHTWPADCPNUAL-LLVKDONJSA-N	313.361	1.705	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1	920862754	CVSITDPHAFGLKJ-DGCLKSJQSA-N	323.393	1.703	50	20	DDGD	
COC(=O)c1coc(C=NNC(=O)Cc2nc(C)cs2)c1	758101492	YTOLYELMSQCJKS-UHFFFAOYSA-N	307.331	1.524	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@H](O)CC2)C[C@@H]1Br	856958311	KWZCUGIQMOBNCJ-JBLDHEPKSA-N	305.216	1.716	50	20	DDGD	
CC[C@H](C)[C@@H](OC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)OC	922773669	ZDHBLZVGHWSGSV-QNGXTNRKSA-N	305.334	1.458	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	755050339	XRYWHLRGUZRMON-QWRGUYRKSA-N	312.341	1.413	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@H](C)N(C)C)c1C	750015577	DINFGZCETFFFBX-STQMWFEESA-N	307.394	1.168	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@@H](C)c1nc2ccccc2s1	754703421	RDNNQWVEQQABBN-UWVGGRQHSA-N	320.418	1.893	50	20	DDGD	
COC1CCC(=NNC(=O)CCCNC(=O)C(C)(C)C)CC1	853408392	QFPMGZFVNOJIMR-UHFFFAOYSA-N	311.426	1.990	50	20	DDGD	
COC[C@H](C)C(C)=NNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C	853374537	KRPLVSZSWOXAQW-IACUBPJLSA-N	322.409	1.662	50	20	DDGD	
O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NNc1cccnn1	756966012	SOONFCVOPYQPOX-UHFFFAOYSA-N	322.712	1.865	50	20	DDGD	
COCc1nn(C)cc1C(=O)NC[C@]1(C)C[C@H]1Br	857385495	INDAQBIVGRKZCE-PWSUYJOCSA-N	316.199	1.470	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(NC(=O)CC)ccc1C	755894311	GHTZRGGZULLRKK-UHFFFAOYSA-N	322.365	1.533	50	20	DDGD	
C[C@@H]1CCN(S(=O)(=O)NC[C@@]2(C)C[C@@H]2Br)C1	856754784	NGVGYBYVJKPQHU-KXUCPTDWSA-N	311.245	1.336	50	20	DDGD	
NCCC[C@H](NS(=O)(=O)CBr)c1ccccc1	850588518	JMRVBELTMLDRCX-NSHDSACASA-N	321.240	1.738	50	20	DDGD	
CC1CCN(C(=O)C(=O)NC[C@]2(C)C[C@H]2Br)CC1	857091541	HNRQOTOBOGERSA-MFKMUULPSA-N	317.227	1.535	50	20	DDGD	
O=C(NNC(=S)NC[C@H]1CCCCO1)c1ccccc1F	758171847	JSUFEKADHGKTIQ-SNVBAGLBSA-N	311.382	1.504	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)n1	859795373	GDNZBDRZNWWAEV-AEGPPILISA-N	310.357	1.823	50	20	DDGD	
C[C@H](C[C@H]1CCOC1)NC(=O)NNC(=O)c1ccc(C#N)cc1	759737739	SFILRWDHNAIETK-DGCLKSJQSA-N	316.361	1.317	50	20	DDGD	
CCc1noc(C2CCC(=NNC(=O)c3cc[nH]n3)CC2)n1	853392329	MBQUYNKQDLKGHO-UHFFFAOYSA-N	302.338	1.799	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(OCC(=O)OC)cc1	755809964	QLVZHYGWLXOEOA-JTQLQIEISA-N	323.349	1.437	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@@H]2C[C@]2(C)OC)cc1	852686167	PJEHZHHMGXDGAW-RISCZKNCSA-N	308.338	1.208	50	20	DDGD	
O=C(NN=C1CCC[S@](=O)CC1)Nc1ccc(C(=O)O)cc1	853312167	KMXAGHFXNCGHEE-QFIPXVFZSA-N	323.374	1.795	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)NCc1ccco1)OCO2	758874641	YEBITMXXLDCVFW-UHFFFAOYSA-N	317.301	1.850	50	20	DDGD	
Cc1nc([C@H]2CCOC2)sc1C(=O)NNC(=O)C1CCCC1	864844865	FOMOQKWDCNWNSO-NSHDSACASA-N	323.418	1.907	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1cc(Cl)cc(F)c1O	768355298	PECMNGQCKFOAJK-UHFFFAOYSA-N	313.716	1.257	50	20	DDGD	
Cc1c(NNC(=O)CN(C)[C@@H]2CCSC2)cccc1[N+](=O)[O-]	765012629	ZIUZZXNQPOQXOK-LLVKDONJSA-N	324.406	1.784	50	20	DDGD	
C/C=C(/C=C\C(=O)OCC(=O)NNC(=O)c1ccccc1)CC	767661802	VJRZUWRVHMUMCK-BGEZDZDMSA-N	316.357	1.903	50	20	DDGD	
COC(=O)NNC(=O)C1(C(=O)OC(C)(C)C)CCSCC1	863853995	ICRJUNZSSFKCQF-UHFFFAOYSA-N	318.395	1.229	50	20	DDGD	
CN(N=Cc1cc2c(cc1Br)OCO2)C(N)=O	767904208	MYCINMCJSZYDMM-UHFFFAOYSA-N	300.112	1.522	50	20	DDGD	
Cc1nnc(NNC(=O)c2cccc(-c3ccoc3)c2)nc1O	760279837	SPCBAHGNOBOIQO-UHFFFAOYSA-N	311.301	1.903	50	20	DDGD	
Cc1ncc([C@@H](C)NC(=O)NNC(=O)[C@H]2CCCCO2)s1	868935423	UYUYUUCEMJOIQO-PSASIEDQSA-N	312.395	1.412	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)Nc1ccc(N(C)C)cc1)C1CC1	861570969	RIQQOOPOSXPCSQ-AWEZNQCLSA-N	320.393	1.720	50	20	DDGD	
CCCC[C@@H](NNC(=O)c1cn[nH]c1)C(=O)Nc1cc(C)on1	863378861	KMSJAQODDVVONZ-LLVKDONJSA-N	320.353	1.138	50	20	DDGD	
O=C(NCc1cccnn1)NNC(=O)c1ccc2ccccc2c1	767754353	IDWCRUURYZNMMV-UHFFFAOYSA-N	321.340	1.774	50	20	DDGD	
Cn1cc(C=NNC(=O)c2cn[nH]c2)c(C2CCCCC2)n1	863155133	YNRAJRRIGKHTSU-UHFFFAOYSA-N	300.366	1.955	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)c2cccc3ccsc23)nn1	768721112	IPOUOCLJXKMAQR-UHFFFAOYSA-N	313.342	1.547	50	20	DDGD	
CCCCS(=O)(=O)CC(=O)NNc1cc(Cl)ccn1	935274670	UZIPONMSPUALTI-UHFFFAOYSA-N	305.787	1.393	50	20	DDGD	
Cc1ccc([C@@H](C)[C@@H](O)C(=O)NNC(=O)NCC2CC2)cc1	764881323	PBHWADMNROQLPC-BXUZGUMPSA-N	305.378	1.200	50	20	DDGD	
CN(C)c1cc(C(=O)NNc2ncnc3ccsc23)ccn1	766680030	AGRDPTSDYSWARH-UHFFFAOYSA-N	314.374	1.909	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)nn1	766320683	NVACPIAVDNDXOU-UHFFFAOYSA-N	321.768	1.345	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1n[nH]c2c1CCCC2	863093150	ZQWXDRWQMGRFTE-UHFFFAOYSA-N	312.242	1.721	50	20	DDGD	
O=C(COC(=O)C(F)=C1CCCC1)NNC(=O)c1ccccc1	761965913	QEYRJXKHVOSQFE-UHFFFAOYSA-N	320.320	1.788	50	20	DDGD	
CO[C@@](C)(C(=O)NNc1ncc(F)cn1)c1ccccc1F	760489214	ZZTBFJNCQRWONR-CQSZACIVSA-N	308.288	1.760	50	20	DDGD	
O=C(NN=CC[C@@H]1CCOC1)C1CCN(c2ncccn2)CC1	765574510	AHEZDUIJDVUGHC-CYBMUJFWSA-N	317.393	1.222	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccc(F)cc2)ns1	767428721	LUPKTXASKBGCFB-UHFFFAOYSA-N	309.322	1.431	50	20	DDGD	
COCCCNC(=O)NN=Cc1nc2ccc(Cl)cc2n1C	763355926	JYEDBCZQZQHYQA-UHFFFAOYSA-N	323.784	1.896	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc2nc(O)[nH]c2c1	768248683	ZMFAJCWZHMCMDA-UHFFFAOYSA-N	313.273	1.934	50	20	DDGD	
CCOC(=O)COc1ccc(/C=C(\C#N)C(N)=C(C#N)C#N)cc1	1116212568	FSKARJGPVZAWPU-NTUHNPAUSA-N	322.324	1.795	50	20	DDGD	
CCCC(=O)N1CCC[C@@H]1C(=O)NNc1nc2ccccc2[nH]1	870212355	KSDHVYPWQZMUQP-CYBMUJFWSA-N	315.377	1.797	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2ccc(C(F)(F)F)cn2)C1=O	775264324	KBDQVSJTJHZEOK-QMMMGPOBSA-N	302.256	1.022	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCOc1ncccc1Cl	875379282	BPWPWZFJXGDNQN-UHFFFAOYSA-N	302.718	1.026	50	20	DDGD	
CCNC(=O)N(C)N=Cc1cc(Br)cnc1OC	872361717	NOQNHABRLKXFAZ-UHFFFAOYSA-N	315.171	1.848	50	20	DDGD	
Cc1c(CCC(=O)NNc2nccnc2C(C)C)cnn1C	772867553	AMNCLBHEUQHQTD-UHFFFAOYSA-N	302.382	1.718	50	20	DDGD	
CC[C@H]1CC[C@@H](C)N1CC(=O)NNC(=O)c1cccc(C#N)c1	772357990	VFBALXMBIUOGMU-DOMZBBRYSA-N	314.389	1.582	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2c[nH]cc2C2CC2)nc1	879306082	AWHBEUDQULAUGE-UHFFFAOYSA-N	300.318	1.831	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2ccc(O)cc2)cc1	1116278971	GFRCESSBTMPMRY-UHFFFAOYSA-N	300.314	1.405	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc([N+](=O)[O-])cc1F	777877553	PMRKIIZWRBZROV-UHFFFAOYSA-N	310.329	1.916	50	20	DDGD	
COc1cc(CC(=O)NNc2cc(Cl)nc(N)n2)ccc1C	779373200	BTIYBEXCKWOOMA-UHFFFAOYSA-N	321.768	1.715	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=Cc1cscc1Cl	771878544	IOCKUOFVQOLQNG-UHFFFAOYSA-N	322.777	1.677	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1CNC(=O)NNC(=O)c1cccnn1	883673166	YDBMNRKJDGNHJL-NEPJUHHUSA-N	305.382	1.637	50	20	DDGD	
COc1cccc([C@H](C)CC(=O)NNC(=O)C2CCOCC2)c1	883065164	BWKGKFQEMBFZEJ-GFCCVEGCSA-N	320.389	1.763	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc2c(c1)CCCC(=O)N2	887141720	GJBDJHBEVWKDHL-UHFFFAOYSA-N	313.357	1.526	50	20	DDGD	
CC(C[C@H](C)CC(C)C)=NNC(=O)N[C@H]1CCS(=O)(=O)C1	779769866	BHLJCPVREGCYRQ-YPMHNXCESA-N	317.455	1.921	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1nsc2ccccc12	880019827	XBSRUIFVOMYOJZ-RKDXNWHRSA-N	320.374	1.874	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@H](NC(C)=O)c1cccs1	887140446	FDENLSRJUWNOBZ-LBPRGKRZSA-N	321.402	1.266	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2c(C)nn(C)c2Cl)c1	781040509	USDWVGBBOGUFNM-UHFFFAOYSA-N	322.752	1.925	50	20	DDGD	
CC(C)[C@@H](F)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	784145991	YICFWQGBGKYWRO-JOYOIKCWSA-N	300.305	1.735	50	20	DDGD	
CC(C)CN1CCN(S(=O)(=O)CCCCCl)[C@@H](C)C1=O	780856398	VHXHPOARNPTBBQ-LBPRGKRZSA-N	324.874	1.524	50	20	DDGD	
Cc1ccncc1NC(=O)C(=O)NNc1ccc(Cl)nc1	784870105	BTPADRRWFJXYCN-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C/c1ccc(OCC(=O)OC)cc1	786042659	BVHZJRXPKYQAHY-NTEUORMPSA-N	323.370	1.928	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H](C)c1ncn(C)n1	781401022	WGTADPWMBBXJFG-SECBINFHSA-N	310.789	1.358	50	20	DDGD	
CO[C@]1(C)C[C@@H](N(C)S(=O)(=O)CBr)C1(C)C	782461795	UUPVRKSZSGABNS-PSASIEDQSA-N	314.245	1.804	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1nnn(-c2ccccc2)c1C	785461048	RDCXLQCRLQDTOW-UHFFFAOYSA-N	301.350	1.187	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(=NCc2ccccc2)cc[nH]1	1123903094	BIXDQSCGSZIQAD-UHFFFAOYSA-N	314.389	1.075	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2nccs2)c1	780821833	VAKJTHCUHJNSKG-UHFFFAOYSA-N	306.347	1.756	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1c[nH]nc1-c1ccncc1	781805332	PALQWXMPFOIFEI-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
O=C(C[C@H]1C(=O)Nc2ccccc21)NNc1ncncc1Cl	781829148	ICUDSCCVHWXYCD-SECBINFHSA-N	317.736	1.699	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCCn2ccnn2)cc1	782828055	KYZZCYKPPNRAGX-KAMYIIQDSA-N	311.345	1.400	50	20	DDGD	
CC[C@H]1C(=O)NCCN1C(=O)[C@@H](Br)C(C)(C)C	781084980	HEHOIXSLLCIVIN-DTWKUNHWSA-N	305.216	1.533	50	20	DDGD	
O=S(=O)(CCCCl)N[C@H]1CCN(Cc2ccccc2)C1	37843289	JIWPXGMXPLAFAE-AWEZNQCLSA-N	316.854	1.809	50	20	DDGD	
CO[C@@]1(C(=O)NNc2cc(C#N)cc(Cl)n2)CCSC1	897283636	HNIHLOQBVXKKFX-LBPRGKRZSA-N	312.782	1.572	50	20	DDGD	
Cc1cccnc1NNC(=O)Cc1nnn(-c2ccccc2)c1C	791220416	HOZQBSFPDOOYLJ-UHFFFAOYSA-N	322.372	1.965	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN[C@@H]2CSC[C@H]2C)c1	796395635	QPWKZWCDBAOTFC-DGCLKSJQSA-N	307.419	1.097	50	20	DDGD	
CC(=NNC(=O)c1ccc(-n2cnnn2)cc1)c1cnoc1C	799472251	QMGYWOZZHCJLSE-UHFFFAOYSA-N	311.305	1.113	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	796538654	GQAOQAAFGWZLAF-RDBSUJKOSA-N	316.467	1.695	50	20	DDGD	
COc1cccc(C2(C(=O)NNC(=O)c3ccccn3)CC2)c1	794605655	SXCVBEMXQXLLJC-UHFFFAOYSA-N	311.341	1.583	50	20	DDGD	
CC1(CCNC(=O)NNc2ccccc2S(C)(=O)=O)CC1	792201198	XPXGAKXONBWVPG-UHFFFAOYSA-N	311.407	1.906	50	20	DDGD	
C[C@@]12CCN(CC(=O)NNC(=O)C3CC3)C[C@@H]1C2(Cl)Cl	792909981	UXYZLUFITSAWEH-JOYOIKCWSA-N	320.220	1.060	50	20	DDGD	
Cc1c(Br)cccc1CC(=O)NNC(=O)C1CC1	790111973	QXRQGYFCTSRJML-UHFFFAOYSA-N	311.179	1.857	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2n[nH]cc2C)cc1F	799415405	ZLJMJTACMCJSFQ-UHFFFAOYSA-N	323.353	1.497	50	20	DDGD	
COC(=O)c1ccc(Cl)c(/C=C(\C#N)S(N)(=O)=O)c1	799894099	NRHCAFAZINJJED-WEVVVXLNSA-N	300.723	1.280	50	20	DDGD	
C=C[C@H](NNC(=O)c1c(Cl)cccc1Cl)C(=O)OC	799977647	IFCFBTJYLSOAKV-VIFPVBQESA-N	303.145	1.955	50	20	DDGD	
CNS(=O)(=O)c1ccc(COC(=O)/C(C#N)=C\C2CC2)cc1	1327978017	JEOCFHIIRCSTTK-JYRVWZFOSA-N	320.370	1.498	50	20	DDGD	
COCc1cnc(NC(=O)C(=O)NNc2ncccc2C)s1	1329097945	BGCHKDFEJVYEPO-UHFFFAOYSA-N	321.362	1.075	50	20	DDGD	
CC(C)C[C@@H](CN)NC(=O)NNC(=O)c1ccccc1Cl	1326134407	XUSUJCKTNHSCHO-JTQLQIEISA-N	312.801	1.657	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2CCCC[C@H]2OC)cc1	1326505186	GFWKCNQBDHILMG-ZIAGYGMSSA-N	321.377	1.597	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)c2cncn2-c2ccccc2)cn1	1328347867	HFDRMEJAFAVJAF-UHFFFAOYSA-N	324.344	1.164	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCOc2c(C)ccc(C)c21	1252526720	BTVORDJSFZSFOS-ZDUSSCGKSA-N	320.389	1.958	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cccc2c[nH]nc12	1339433656	ZGRQMULWJJZHQK-UHFFFAOYSA-N	301.350	1.318	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCc2scnc2C)cc1	1338637945	JVFGZODAYGBSNR-UHFFFAOYSA-N	320.374	1.604	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)CC(C1CC1)C1CC1	1330117897	BDMGHEKONUHDJM-UHFFFAOYSA-N	313.467	1.687	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNc1cncc(Br)c1	1341214046	DJWYRCKVOYRSEA-UHFFFAOYSA-N	324.182	1.951	50	20	DDGD	
CC(C)CN1CCC[C@@H]1C(=O)NNC(=O)NC1CCCCC1	1346213690	NIZFOAORLLAZIS-CQSZACIVSA-N	310.442	1.770	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N[C@H]2C=CCCC2)C[C@@H]1Br	1351174963	MDISIQYYVTUGPU-OUJBWJOFSA-N	315.211	1.501	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2csc(C(=O)O)n2)c1	1601087040	AMXUUNOPPXDWNG-UHFFFAOYSA-N	323.721	1.518	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)ccc1F	1608856709	LZFMSSWMCYDXSV-GMOODISLSA-N	324.308	1.019	50	20	DDGD	
CNc1snc(C)c1C(=O)NNc1ccc(C(=O)O)cn1	1606314945	DTNYACCMQRGPOD-UHFFFAOYSA-N	307.335	1.343	50	20	DDGD	
O=C(CCCCc1cccc(O)c1)NNC(=O)c1ccc[nH]1	1527399946	LHZHUEVFEKYINO-UHFFFAOYSA-N	301.346	1.894	50	20	DDGD	
O=C(NCCOCC1CC1)NNc1ccc(C(=O)O)cc1F	1608448858	ZCZQCUQOZMFBAQ-UHFFFAOYSA-N	311.313	1.577	50	20	DDGD	
O=C(O)C[C@@H]1CN(C[C@@H](CBr)C2CC2)CCO1	1601961393	KTYUTTDUNGXBPW-GHMZBOCLSA-N	306.200	1.583	50	20	DDGD	
Cc1cccc(C(=O)NN[C@@H](C(=O)O)c2ccccc2F)n1	1607839457	KQCWPXPNMOUGNK-CYBMUJFWSA-N	303.293	1.589	50	20	DDGD	
O=C(NNC(=O)[C@@]1(C(=O)O)C[C@@H]1c1ccccc1)c1ccccc1	1608476867	AMTVCBGYQCXAFF-RDTXWAMCSA-N	324.336	1.706	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(C(=O)O)cc1F)c1cn[nH]c1	1604290557	GQIQYPNEMSQHMB-SSDOTTSWSA-N	307.285	1.634	50	20	DDGD	
CO[C@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1ccccc1	1604993467	DUBHYPUQEFXVCX-AWEZNQCLSA-N	324.344	1.698	50	20	DDGD	
C=C(C)CNC(=O)/C(C#N)=C/c1cc(-c2nn[nH]n2)n(C)c1C	1609051627	LBUSKDITHHCWKZ-LFYBBSHMSA-N	311.349	1.113	50	20	DDGD	
O=C(Cc1ccc(C(=O)O)cc1)NNC(=O)OCC(F)(F)F	1601356406	RIIUIHFKFSMBMI-UHFFFAOYSA-N	320.223	1.247	50	20	DDGD	
Cc1nc(CC(=O)NNc2ccc(C(=O)O)cc2F)cs1	1600695869	LXVKZGYLFPTCDS-UHFFFAOYSA-N	309.322	1.975	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)C1(C(=O)O)CCCCC1	1605359802	AUTXXGCDIPDRER-UHFFFAOYSA-N	305.334	1.186	50	20	DDGD	
COc1ccccc1C(=O)C(=O)NNc1cccc(C(=O)O)c1	1610365382	YKUWBNCFFWVHJS-UHFFFAOYSA-N	314.297	1.719	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@H]1C=NNC(=O)Cc1cc[nH]n1	1552763602	XEKIEAMCZRVBIJ-FZMZJTMJSA-N	316.365	1.048	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H]2C[C@H]3CN[C@@H](C3)C2)cc(C#N)n1C	1579529357	DYNWLRZXPSVGEZ-DLWMZTALSA-N	323.400	1.369	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2=C3CCN=C3NC=C2)c1	1578878368	WLSVNRJSXOFINR-UHFFFAOYSA-N	312.329	1.132	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@H]2C[C@@H](N)C2)cc1	1573806411	LZCIFYUMTNXJHZ-AOOOYVTPSA-N	308.407	1.140	50	20	DDGD	
C/C(Cl)=C/C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1589903558	AZKPJUJBJCDCTI-XQRVVYSFSA-N	311.733	1.564	50	20	DDGD	
Nc1ccoc1C(=O)NNC(=O)C(F)(F)Oc1ccccc1	1580464055	FUOLIJDKSBOCKV-UHFFFAOYSA-N	311.244	1.295	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNc1ccc(C(=O)O)cc1F	1588920335	XFCONXFDZFHLRO-NEPJUHHUSA-N	309.297	1.494	50	20	DDGD	
CC[C@H](NNC(=O)c1cccc(Br)c1)C(=O)O	1595306036	QTJNFMGDTCXPPL-VIFPVBQESA-N	301.140	1.547	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNc1ccc(C(=O)O)cc1OC	1598841482	YNJALPOOYFNLAQ-VIFPVBQESA-N	324.333	1.426	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccc(CC(=O)O)cc1)N(C)C1CC1	1592676753	XQZNADKTAIQWCD-NSHDSACASA-N	320.393	1.423	50	20	DDGD	
CC1CC(=NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)C1	1590181191	MBFSTKSJTHARNP-UHFFFAOYSA-N	300.322	1.148	50	20	DDGD	
COc1cc(C(=O)O)ccc1C=NNC(=O)Cc1ccccn1	1776043390	LSOVOWSUTMNZMK-UHFFFAOYSA-N	313.313	1.481	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@H]1F)[C@@H](F)Cl	1799958700	DZTCOUHYTJDKAS-WYVINJBVSA-N	306.740	1.517	50	20	DDGD	
CC(C)(C#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl	1796804050	KHYRLUZDHKXKHK-VLEAKVRGSA-N	315.776	1.709	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CN(C)[C@@H](C)CC#N)cc1C	161749523	UIXFLTOUYYFLJJ-NSHDSACASA-N	322.434	1.614	50	20	DDGD	
CCC(CC)CC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1	164351167	JDCYNJPRIBFZIW-UHFFFAOYSA-N	316.365	1.250	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1c(-c2ccncc2)noc1C	165075817	COHHZSVHGHDYTM-UHFFFAOYSA-N	317.349	1.789	50	20	DDGD	
C=CCNC(=O)CNS(=O)(=O)c1ccc(CCCl)cc1	393825332	ZHDSIEDDBNIMRB-UHFFFAOYSA-N	316.810	1.048	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1	6176039	QKLVWKRILMHCPF-GFCCVEGCSA-N	314.341	1.924	50	20	DDGD	
CCCCN1CCC(NC(=O)NNc2ccc(C)nn2)CC1	106337055	BBHODPUWOGQVCY-UHFFFAOYSA-N	306.414	1.676	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)COc2ccc(C#N)cc2)cc1	8188728	MDSRSODEAGRHOM-UHFFFAOYSA-N	323.352	1.636	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)[C@@H]1CCCO1)c1ccc(F)cc1	103316160	KIBQGOUZHXSYST-ZDUSSCGKSA-N	323.368	1.613	50	20	DDGD	
CCCC(=O)N1CCC[C@H]1C(=O)NNc1ccccc1[N+](=O)[O-]	56063407	YHTVFSCZAQRONC-ZDUSSCGKSA-N	320.349	1.829	50	20	DDGD	
C=CCCCC(=O)NNC(=O)c1csc(N2CCOCC2)n1	175143995	UVDJOAGERGNSQV-UHFFFAOYSA-N	324.406	1.097	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N(C)CCCn2ccnc2)s1	118972595	MADHPLJJQALBGQ-UHFFFAOYSA-N	321.406	1.630	50	20	DDGD	
Cc1nccn1CCCC(=O)NNC(=O)c1ccccc1O	68999508	IDFCHJMIZBJYTK-UHFFFAOYSA-N	302.334	1.139	50	20	DDGD	
C[C@@H]1CC[C@H](CCC(=O)NNC(=O)CNc2ccccc2)O1	175103858	HMGAQEBDEQUIBL-TZMCWYRMSA-N	305.378	1.594	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1cnn(C)c1	27267773	SXUIXOXLWLFHAI-UHFFFAOYSA-N	308.725	1.157	50	20	DDGD	
CC(C)CCO[C@@H](C)C(=O)NNC(=O)Cc1ccccc1F	66774705	QSXDYNIFPIIMCC-LBPRGKRZSA-N	310.369	1.967	50	20	DDGD	
CC[C@@H](C)N(C)CCNC(=O)NNc1cncc(Cl)n1	171078041	BAOMNOVFSRSPLX-SECBINFHSA-N	300.794	1.486	50	20	DDGD	
COCCCNC(=O)NNC(=O)/C=C/c1ccc(OC)cc1	65212124	GIGUIXQPQBMRIZ-RMKNXTFCSA-N	307.350	1.075	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@H]1C[C@]12CCc1ccccc12	175781549	JXVMDOCMJLUGCP-APWZRJJASA-N	321.380	1.676	50	20	DDGD	
Cc1nccn1-c1ccc(CNC(=O)NNc2cccnn2)cn1	172490538	DGMYFOAAORQDEV-UHFFFAOYSA-N	324.348	1.192	50	20	DDGD	
Cc1cccc(NNC(=O)CNC(=O)c2ccc(C#N)cc2)c1	171774007	RIIIJNYZVGIFQI-UHFFFAOYSA-N	308.341	1.740	50	20	DDGD	
CC[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cccnc1	175106902	JKUIIZJWOUIMLO-ZDUSSCGKSA-N	317.320	1.839	50	20	DDGD	
CC(C)(C)n1nccc1NC(=O)C(=O)NNc1cccc(F)c1	120849076	OHKYZIRELHVUPF-UHFFFAOYSA-N	319.340	1.859	50	20	DDGD	
CC[C@H](C)[C@@H](C)NCC(=O)NNC(=O)Cc1ccccc1C	183073390	JUMKMOOFFMCPHR-GXTWGEPZSA-N	305.422	1.709	50	20	DDGD	
CN(NC(=O)c1cc(Br)ccc1Cl)C(N)=O	181085227	CGNQNWYPSGLYQG-UHFFFAOYSA-N	306.547	1.758	50	20	DDGD	
CC1CCN(CCNC(=O)NNc2cncc(Cl)n2)CC1	127039133	GBGAVSIICOPXLZ-UHFFFAOYSA-N	312.805	1.488	50	20	DDGD	
Cc1nc(CCNC(=O)NNC(=O)c2ccccc2)sc1C	127921510	USMGYDGQGRLZEQ-UHFFFAOYSA-N	318.402	1.947	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCc1cc(Cl)cs1	76585525	AHLQMRIIHUPVCF-UHFFFAOYSA-N	319.814	1.701	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)n(C)n1	126059701	OBEMLVHFRVNCDQ-UHFFFAOYSA-N	324.344	1.193	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1occc1C	73314775	SQPYIJMFNZVRJN-UHFFFAOYSA-N	303.318	1.470	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCCOC(C)C)c1ccccc1	184150615	OSCDZXYWQQRPBV-CQSZACIVSA-N	307.394	1.936	50	20	DDGD	
CCC[C@H]1C[C@H](C(=O)NNC(=O)Cc2ccncc2)CCO1	180352185	OIJAZEJRLGEATB-KGLIPLIRSA-N	305.378	1.367	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CSC[C@@H](C)CO	121189832	ZNLHCMKJFYADJN-NSHDSACASA-N	310.419	1.047	50	20	DDGD	
Cc1nnnn1-c1cccc(NC(=O)NNc2ccccn2)c1	180681002	PJZICCTZCFHXNX-UHFFFAOYSA-N	310.321	1.514	50	20	DDGD	
CC(=O)N1CCC[C@H]1C(=O)NNc1nc2ccccc2cc1C	181271051	SZBWROUTEIOUGP-HNNXBMFYSA-N	312.373	1.997	50	20	DDGD	
COC(=O)CCCC(=O)NNc1ccc(-c2ccccc2)nn1	131377682	QEURVVYAIFTVBA-UHFFFAOYSA-N	314.345	1.930	50	20	DDGD	
CCOC(=O)NNC(=O)Cc1ccc(Br)c(F)c1	131477999	YVLALODACOPSLP-UHFFFAOYSA-N	319.130	1.908	50	20	DDGD	
Cc1c(Cl)cccc1OCC(=O)NNC(=O)c1cccnc1	134478728	SNPNJPVSEAEQPL-UHFFFAOYSA-N	319.748	1.883	50	20	DDGD	
O=C(NNC(=O)c1ncccc1Br)c1ccccc1	194973912	ZIWSMFQZNNKIDA-UHFFFAOYSA-N	320.146	1.919	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H]1CCCN1C(=O)c1ccccc1	193654958	JJWCTQUPEOMXQG-CYBMUJFWSA-N	317.389	1.485	50	20	DDGD	
Cn1cnc2cc(C(=O)NNC(=O)c3cccc(C#N)c3)ccc21	131167727	SHQRKZLWHDRJOY-UHFFFAOYSA-N	319.324	1.520	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C[C@H]2CCCOC2)c(C)c1	195276688	ITELIJJHWMKWCG-CQSZACIVSA-N	319.405	1.679	50	20	DDGD	
Cc1cc(C(=O)CCC(=O)NNC(=O)[C@@H]2CCCO2)c(C)s1	42959773	WNJQOUDAJRIGDI-ZDUSSCGKSA-N	324.402	1.654	50	20	DDGD	
O=C(COc1ccc(Cl)cc1)NNC(=O)Cc1ccncc1	81024519	CCKXPHHLGIFELD-UHFFFAOYSA-N	319.748	1.504	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1ccc[nH]1	96951249	FJOPYDVYXXHSHW-VIFPVBQESA-N	307.737	1.897	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1[N+](=O)[O-]	96953539	BGVMPPIBDMQYCZ-UHFFFAOYSA-N	304.262	1.006	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@@H](C)C(C)C)cc(OC)c1OC	264859022	FDONYKCAYOIORU-JTQLQIEISA-N	324.377	1.766	50	20	DDGD	
CN(CCS(C)(=O)=O)/C(=C/C#N)c1cccc([N+](=O)[O-])c1	267418376	VUNWCNCOOXEAEM-AWNIVKPZSA-N	309.347	1.436	50	20	DDGD	
Cc1ccc(NNC(=O)NCC2(N(C)C)CCCCC2)nn1	264373521	JMNMKKCQVMMRDK-UHFFFAOYSA-N	306.414	1.676	50	20	DDGD	
CC[C@H](C)Oc1cccc(NC(=O)NNC(=O)CN(C)C)c1	274254718	WYDZSCWOBDSYRU-NSHDSACASA-N	308.382	1.578	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2ncnc3ccsc23)CCO1	271247783	ISJSOZMUAYECID-IUCAKERBSA-N	307.379	1.885	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C(=O)c1ccc(C)cc1	278595051	KRETWNNNJSSBKJ-UHFFFAOYSA-N	322.361	1.114	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@@H]1C[C@H]1c1cccnc1	368851170	ONKCNMJVMUWYJW-JKSUJKDBSA-N	309.369	1.965	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1cccc(N2CCCC2=O)c1	272301284	DGLFJWPXNMHHFH-UHFFFAOYSA-N	316.361	1.766	50	20	DDGD	
Cn1cc([C@H](CO)NC(=O)[C@H](Br)C(C)(C)C)cn1	274375178	LPFWUNDVULYGIX-UWVGGRQHSA-N	318.215	1.379	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1nc(Br)cs1	275307916	NJEXWGIAQWCTLD-UHFFFAOYSA-N	307.173	1.258	50	20	DDGD	
CC[C@H]1CCCC[C@H]1OCC(=O)NNc1nccn(C)c1=O	274360537	KUESYDCNJSRQNX-NWDGAFQWSA-N	308.382	1.209	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2	370455020	MCYGMHQCKICXBG-GWOFURMSSA-N	301.268	1.303	50	20	DDGD	
O=C(NNc1ncccc1F)c1ccnc(N2CCCC2)n1	285821016	BVBAYKJNGGRIIC-UHFFFAOYSA-N	302.313	1.368	50	20	DDGD	
CO[C@]1(C(=O)NNC(=O)Nc2cccc(Cl)c2)CCOC1	283790588	UACVMRJMCVHSSV-CYBMUJFWSA-N	313.741	1.298	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2cccc(OC)c2O)ccn1C	289989051	OOWDQLXXKDDGKO-UHFFFAOYSA-N	317.345	1.377	50	20	DDGD	
CC(=O)NCCCCCC(=O)NNC(=O)Nc1ccccc1C	281236022	NGPXZHQAUYFQPN-UHFFFAOYSA-N	320.393	1.844	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@]2(C)CCO[C@H]2C2CC2)n1	375818134	VWPUJBOCJAMPMQ-BBRMVZONSA-N	319.409	1.925	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)C(C)(C)c1ccccc1)OC	290625197	CJNUJJZKDGLITE-ZDUSSCGKSA-N	307.394	1.720	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)COc1ccccc1CC)C(C)C	297170332	ADTOAQLEHNAWES-CQSZACIVSA-N	317.389	1.616	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)CSc2ccccc2O)co1	801639275	KUGWKUMYEJPMIL-UHFFFAOYSA-N	307.331	1.242	50	20	DDGD	
CC[C@H](C)CONC(=O)NNC(=O)COc1ccc(F)cc1	291676939	BUVJORXPRBSJNI-JTQLQIEISA-N	313.329	1.513	50	20	DDGD	
CN(C)c1ccc(C2(C(=O)NNC(=O)NC3CC3)CC2)cc1	294066071	KGZNUILYXBTHQS-UHFFFAOYSA-N	302.378	1.277	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)Nc1nc(C)no1	296927199	ULIWYXJYLOXOGA-UHFFFAOYSA-N	319.321	1.172	50	20	DDGD	
C=C(CBr)CN1CCC[C@@H](S(C)(=O)=O)CC1	800458827	WGRBCSOOJIGRQL-LLVKDONJSA-N	310.257	1.837	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)[C@H]1COc2ccccc2O1)C(C)(F)F	292707050	ODPLYZCWBYXYEL-GZMMTYOYSA-N	314.288	1.265	50	20	DDGD	
CS(=O)(=O)CC1(CC(=O)NNc2cccc(Cl)n2)CC1	293804189	XZAMYMBWPPOKOZ-UHFFFAOYSA-N	317.798	1.393	50	20	DDGD	
CCOCCCCNC(=O)NNc1ccc2c(=O)[nH]ccc2c1	806456141	GPODGLYNOAVWNP-UHFFFAOYSA-N	318.377	1.971	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cn(Cc2ccccc2)nn1	298086450	LHNZSTLRCGVBOD-UHFFFAOYSA-N	301.350	1.134	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)O1	298469987	URJBNWYYMJUMTC-WTDIUWLJSA-N	321.352	1.580	50	20	DDGD	
O=C(NC[C@@H]1CCCN1C1CCCCC1)NNc1ccncn1	297131871	ZUNBBMILZMWUBK-AWEZNQCLSA-N	318.425	1.900	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@@H]2CNC[C@@H]2CC1	293613984	HERXSRXBWCPLQZ-OKILXGFUSA-N	324.856	1.810	50	20	DDGD	
CCCc1nc(C)c(CNC(=O)NNc2nccc(OC)n2)o1	292030038	DHMCCQSHVWVZJQ-UHFFFAOYSA-N	320.353	1.560	50	20	DDGD	
CCCN[C@@H](C)C(=O)NNc1nc2ccccc2c(=O)n1CC	295591811	FDRQCJLGBLATJB-NSHDSACASA-N	317.393	1.248	50	20	DDGD	
CCCCCOCC(=O)NNC(=O)c1cccc(OC)c1O	299412811	CDOQSCBXSDLEMF-UHFFFAOYSA-N	310.350	1.369	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)CCCn1cncn1	816486858	VKZDFRJKDZJKAY-UHFFFAOYSA-N	323.788	1.768	50	20	DDGD	
CN1C(=O)Cc2cc(C(=O)COC(=O)/C(C#N)=C/C3CC3)ccc21	812595590	IAQHNGRMFKJVEL-MKMNVTDBSA-N	324.336	1.791	50	20	DDGD	
CON(CC(=O)NNC(=O)C(C)(C)C)C[C@H]1CCC[C@@H](C)C1	810137865	YCWLBIIILAKHBI-OLZOCXBDSA-N	313.442	1.870	50	20	DDGD	
CN(NC(=O)[C@@H](c1ccccc1)N1CCSCC1)C1CC1	819646428	YAJSQZPQURTEIK-OAHLLOKOSA-N	305.447	1.902	50	20	DDGD	
COc1ccc(O)c(C=NNC(=O)COc2ccccc2O)c1	814951191	RCZXVWQNNVQYSG-UHFFFAOYSA-N	316.313	1.636	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1ccc(Br)cn1	815001003	SFKPJMUWRBEGQZ-UHFFFAOYSA-N	320.150	1.817	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNc1ncncc1F	817077773	QEBDGOKWOWTLPM-UHFFFAOYSA-N	314.324	1.671	50	20	DDGD	
CCn1ccnc1C(=O)NNc1ccccc1S(C)(=O)=O	813488516	XVUGORMVEWQRLY-UHFFFAOYSA-N	308.363	1.063	50	20	DDGD	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NNC(=O)c1ccnnc1	817694221	VEVNYBLTBRHLTM-BNOWGMLFSA-N	320.393	1.612	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1cc(F)c(N)c(F)c1	814818183	HVZSNSNWYWNUNQ-UHFFFAOYSA-N	300.309	1.607	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)CCc1ccc(Cl)cc1	818047466	AWCLCSVAUMFCMC-SNVBAGLBSA-N	318.826	1.879	50	20	DDGD	
O=C(O)CCCCCNC(=O)NNc1ncnc2ccsc12	819401284	VOPVSVFYGMSWBH-UHFFFAOYSA-N	323.378	1.962	50	20	DDGD	
Cn1ncc(C=NNC(=O)CNc2ccccc2F)c1Cl	814713370	MLZNTJVZNDCOFH-UHFFFAOYSA-N	309.732	1.775	50	20	DDGD	
Cc1c(NNC(=O)NCCC(=O)OC(C)C)cccc1[N+](=O)[O-]	728127111	KXCZNXCWWCCYHO-UHFFFAOYSA-N	324.337	1.871	50	20	DDGD	
O=C(NNc1ncncc1F)[C@@H](O)c1ccc(Cl)cc1F	817083922	YALFXDATXMEAFQ-JTQLQIEISA-N	314.679	1.585	50	20	DDGD	
Cn1cc(-c2ccc(F)c(C(=O)NNC(=O)CC3CC3)c2)cn1	819114920	WAVYVEAKKLCCSE-UHFFFAOYSA-N	316.336	1.787	50	20	DDGD	
CCC[C@@H](C)C(=O)NCCNC(=O)NNC(=O)C1CCCC1	814324777	UHEZETGIGXNZPE-LLVKDONJSA-N	312.414	1.059	50	20	DDGD	
COC(=O)N(C)c1ccc(NC(=O)NNc2cnccn2)cc1	494362545	HZMGCJVUYALTDS-UHFFFAOYSA-N	316.321	1.828	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@H]1CCCOC1	727722106	CPKKOQJDLARTST-NSHDSACASA-N	301.346	1.284	50	20	DDGD	
CN(NC(=O)Nc1ccccc1CN1CCNC1=O)C1CC1	824265357	BVMJHYJTZHCYQB-UHFFFAOYSA-N	303.366	1.343	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1csc(Br)n1	823203068	PUXLHDBFOARJPA-UHFFFAOYSA-N	304.169	1.467	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN1C1CCCC1)OCC(F)(F)F	824620073	YGFCYUQOZXRLDX-VIFPVBQESA-N	309.288	1.323	50	20	DDGD	
C[C@H](C(=O)NNC(=O)OCC(F)(F)F)c1cccc(O)c1	825518814	DULJRBUABVCUAV-ZETCQYMHSA-N	306.240	1.815	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cnc2n1CCC2)c1ccccc1	826922043	XVBYPBHQCGVNQG-UHFFFAOYSA-N	312.373	1.568	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)C[C@@H](C)O1	823812874	QPWLUPRFTLYYRX-QKGCVVFFSA-N	323.437	1.069	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@@H]3NC(=O)O[C@H]3C)nc12	828357740	BJNKLPLGSUQNEI-OIBJUYFYSA-N	306.347	1.545	50	20	DDGD	
CCCCNC(=O)NNC(=O)C[C@@H](CNC(C)=O)CC(C)C	822777807	SJXRTBIFSFTXKF-ZDUSSCGKSA-N	314.430	1.305	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CO[C@@H](C)C2)c1F	828440885	WXHAHWMDHFQMSF-IUCAKERBSA-N	311.313	1.416	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cccc2c1OCCO2	727865458	QLCXFGNWFQGJMG-UHFFFAOYSA-N	321.402	1.367	50	20	DDGD	
O=CNc1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1	826484195	RPEPYASQQCVQKE-UHFFFAOYSA-N	323.316	1.192	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)OC[C@H]2CN(C)C(=O)O2)cc1	496061771	NNEHATDPVQOEKO-YRBHFNIASA-N	316.313	1.596	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H]1CC(c2ccc(C)cc2)=NO1	900393449	JKAIKVZDMCYPCK-CYBMUJFWSA-N	304.350	1.228	50	20	DDGD	
O=C(CC[C@H]1CCCO1)NNc1cccc(-c2nn[nH]n2)c1	826405760	SPSLOMIGILKUGQ-GFCCVEGCSA-N	302.338	1.269	50	20	DDGD	
CCOCC(=O)NN=C(C)c1cccc(N2CCOCC2)c1	731153750	BXLYGJMGSNYLSE-UHFFFAOYSA-N	305.378	1.400	50	20	DDGD	
O=C(Cc1cccc(-c2nn[nH]n2)c1)NNc1ccccc1F	826423533	UBTUGKWYPWQLNG-UHFFFAOYSA-N	312.308	1.692	50	20	DDGD	
CS[C@H](C)CCC(=O)NNC(=O)CNC(=O)OC(C)(C)C	494640523	KXVYKGVOOCTCNK-SECBINFHSA-N	319.427	1.190	50	20	DDGD	
Cc1cc(C)c2c(c1)[C@@H](NCc1ccccc1B(O)O)CCO2	585021488	VPIBORALVNZVRH-KRWDZBQOSA-N	311.190	1.597	50	20	DDGD	
C#CCCCC(=O)NN[C@@H](Cc1ccc(Cl)cc1)C(N)=O	901642534	BUCXOVCWEJEAHO-ZDUSSCGKSA-N	307.781	1.161	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)/C=C\c1cc(Cl)cc(Cl)c1	493684872	MIWYGZAGOUXXHJ-ARJAWSKDSA-N	317.172	1.925	50	20	DDGD	
CC(C)c1ocnc1C(=O)NNc1nc(-c2ccncc2)no1	732065563	OVHJHDLXNFHIQH-UHFFFAOYSA-N	314.305	2.000	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@@H]2CCC[C@H]2OC)cc1	836608013	VMYFUSQGMBXDED-CHWSQXEVSA-N	322.365	1.598	50	20	DDGD	
CS[C@H]1CCCC(=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1	901172631	JKSGQUOVPZPOOA-MNOVXSKESA-N	319.452	1.134	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNc1ccc(C(=O)OC)c(F)c1	837054420	YSHWJKGABLWTFP-NXEZZACHSA-N	312.341	1.974	50	20	DDGD	
OB(O)[C@H]1CCN(c2nc(C(F)F)nc3ccc(F)cc23)C1	900966860	VRTJPFDEDRAIKC-ZETCQYMHSA-N	311.072	1.760	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H](NC(=O)O)C(C)C	738779453	ZQQMNAYQJLMLKT-LLVKDONJSA-N	308.338	1.440	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1	838497136	UICGDOGMNUOCNC-MBNYWOFBSA-N	317.393	1.808	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@H]2CC2(C)C)cc1OC	732820211	JPKCKRBVSNCXNU-LLVKDONJSA-N	321.377	1.694	50	20	DDGD	
COc1ccc([C@H](C)NCc2ccc(B(O)O)cc2F)cc1F	585014323	NWBHXIQRSTVIFB-JTQLQIEISA-N	321.132	1.504	50	20	DDGD	
C[C@H](NS(=O)(=O)CCl)c1nc(Cc2ccccc2)no1	830803183	INPLEQBRWBCCEZ-VIFPVBQESA-N	315.782	1.837	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cnc(OC)nc2)cc1	733911038	UCYHIVSQUWJNHO-UHFFFAOYSA-N	300.318	1.122	50	20	DDGD	
O=C(NN=Cc1nc(-c2ccccc2)no1)[C@H]1CCCCO1	834988488	JKANCNCBSZWYGZ-GFCCVEGCSA-N	300.318	1.756	50	20	DDGD	
COCC1(C(=O)NNc2ccc(-n3ccnc3)nn2)CCCC1	837644276	ODTYBKMOBAYBKP-UHFFFAOYSA-N	316.365	1.312	50	20	DDGD	
CCS(=O)(=O)CC(C)=NNC(=O)Cc1ccc(F)cc1	733746358	LNZQUIOLQMSADJ-UHFFFAOYSA-N	300.355	1.295	50	20	DDGD	
COc1ccccc1C(C)(C)C(=O)NNC(=O)c1c[nH]nc1C	732083283	ZAYWFEOZZTWACF-UHFFFAOYSA-N	316.361	1.466	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)c1	905104501	RXSKBCCXUXVVSR-XFBWCDHKSA-N	316.357	1.055	50	20	DDGD	
COCCOc1ccc(C(C)=NNC(=O)c2ncon2)cc1	901286677	XCSXVYQDDBOTTG-UHFFFAOYSA-N	304.306	1.249	50	20	DDGD	
COC(=O)c1cc(NNC(=O)N[C@@H](C)CSC)ccc1F	838484101	WNTJZJLJKCYHCA-QMMMGPOBSA-N	315.370	1.990	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)c1ccc(OCC(=O)O)cc1	736427352	DHFGDYUPSAJKPM-UHFFFAOYSA-N	308.334	1.347	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1CNC(=O)NNC(=O)C(=O)N1CCCC1	838644500	PZDMTKOQDCVTTA-OLZOCXBDSA-N	324.425	1.156	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NNC(=O)[C@H](C)C2CCC2)c1	839708309	JDGMWSZHFAMNLR-SECBINFHSA-N	304.350	1.237	50	20	DDGD	
CC(C)(C)NC(=O)CCNC(=O)NNc1cc(F)ccc1F	916559077	YKKLVRYEZKIAOM-UHFFFAOYSA-N	314.336	1.896	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1ccc(F)cc1F	748259681	KLGCGFDMENXKOF-SNVBAGLBSA-N	300.305	1.857	50	20	DDGD	
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NNc1cccc(Cl)c1	747762332	APDUFLLBCQXGKL-UHFFFAOYSA-N	322.708	1.553	50	20	DDGD	
O=C(O)NNC(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1	740000052	BUJNFFBSHXTNAH-UHFFFAOYSA-N	324.318	1.186	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc[nH]c2C)cc1OC	749863879	CUSPRCHDLUVLAH-UHFFFAOYSA-N	303.318	1.415	50	20	DDGD	
Cc1ccc2[nH]c(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)cc2c1	843975905	UPVILZWDEZLLIL-PWSUYJOCSA-N	301.346	1.662	50	20	DDGD	
Cc1ccncc1C(=O)NNC(=O)NCCc1cccs1	742053661	OYGXLVOMJVDEIE-UHFFFAOYSA-N	304.375	1.638	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C(C)(C)C1CCC(O)CC1	843970195	CBRDYIFLMDXJRS-WTIISPKJSA-N	312.410	1.136	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)c2cccc(Cl)c2)CCCNC1	841970610	NQKCWVSDEJPZFR-OAHLLOKOSA-N	324.812	1.674	50	20	DDGD	
Cc1nc(CCNC(=O)NNC(=O)CC(F)(F)F)cs1	918065021	LKQUELQDUIIBDG-UHFFFAOYSA-N	310.301	1.277	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CCc3cnc(C)n3C2)nc1	845989438	IOYZRAGZJMJZIX-LLVKDONJSA-N	301.350	1.301	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)NC1CCCC1	847262369	PXISJVXYAIZMHD-UHFFFAOYSA-N	300.160	1.808	50	20	DDGD	
CC(C)OCCCN(C)C(=O)NNC(=O)c1cccc(C#N)c1	740912370	ZRZZNZPMDAUYRD-UHFFFAOYSA-N	318.377	1.660	50	20	DDGD	
CC(C)c1ccc(NNC(=O)NCCN2CCNCC2)cc1	841922241	ZZRLATIKFZGLHI-UHFFFAOYSA-N	305.426	1.341	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1cnc(C)s1	748830385	CZBULFVARLCFJS-UHFFFAOYSA-N	321.358	1.300	50	20	DDGD	
O=C(NCc1ccc2c(c1)OCCO2)NNC(=O)C1CCCC1	915894746	SZOBPPBBFMERDH-UHFFFAOYSA-N	319.361	1.478	50	20	DDGD	
Cc1ncc2n1C[C@@H](C(=O)NNc1ncc(F)cc1F)CC2	846251294	GTOBQFTUXQSLHW-VIFPVBQESA-N	307.304	1.570	50	20	DDGD	
CCCCCNC(=O)/C(C#N)=C/c1cc(C(=O)OCC)n[nH]1	843270227	XNIQVNFXRBNTMN-DHZHZOJOSA-N	304.350	1.800	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(-c2cccs2)on1	843973108	JLARNMSCQZJHPG-RKDXNWHRSA-N	321.358	1.589	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)n1	847444284	YSHHIJQRLCXFFC-VXGBXAGGSA-N	320.397	1.128	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccnc(N2CCC[C@H](C)C2)c1	910147025	INPSQXKAGSFUAN-STQMWFEESA-N	306.410	1.275	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)[C@@H](C)Oc1ccccc1F	749756468	IRIYNPZXGKXZTQ-NXEZZACHSA-N	313.398	1.887	50	20	DDGD	
CN(NC(=O)Nc1ccccc1Cl)C(=O)N1CCNCC1	841001722	UBMYSBRSWKXVIY-UHFFFAOYSA-N	311.773	1.334	50	20	DDGD	
O=C(CN1CCCCCc2ccccc21)NNC(=O)C1CC1	744410794	CJGPEYGKWBGZPH-UHFFFAOYSA-N	301.390	1.777	50	20	DDGD	
CN(CCO)c1ccc(C=NNC(=O)NCc2ccco2)cc1	920825428	IGWOOZQEKOKCRZ-UHFFFAOYSA-N	316.361	1.541	50	20	DDGD	
Cc1sc(CC(=O)NNC(=O)c2cccnn2)nc1C(C)C	921315080	SNTVKHSWZYXFPU-UHFFFAOYSA-N	319.390	1.369	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(Cl)nc1Cl	843648533	QSTWLHQQFSGZGB-RNFRBKRXSA-N	318.160	1.574	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2cc(C(C)C)no2)n1	746765005	DJFKBOYTSNTDPN-UHFFFAOYSA-N	320.353	1.731	50	20	DDGD	
Cn1ccnc(NNC(=O)c2ccc3c(c2)CC(C)(C)O3)c1=O	844135119	NCIYHAQFXLQDBU-UHFFFAOYSA-N	314.345	1.251	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CC[C@H](CN)C2)c1F	842012089	XBBPCIQDHNTAQF-VHSXEESVSA-N	324.356	1.366	50	20	DDGD	
Cn1c(=O)oc2cc(/C=C(/C#N)S(=O)(=O)NC3CC3)ccc21	844552788	ZEZAXEHCMRYASQ-WDZFZDKYSA-N	319.342	1.078	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)n1	755439810	MXLUITLUDOYDGL-UHFFFAOYSA-N	319.277	1.164	50	20	DDGD	
CCC(=NNC(=O)c1ccc2c(c1)OCCO2)c1nccn1C	755626866	BYOKGIYGFVWCOW-UHFFFAOYSA-N	314.345	1.735	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCc2cc(C)on2)cc1	929287062	CATDFCFIUQXSCR-UHFFFAOYSA-N	317.345	1.450	50	20	DDGD	
O=C(NN=Cc1ccc2c(c1)OCCCCO2)c1cc[nH]n1	853391334	IWRRZKWJQXRHKV-UHFFFAOYSA-N	300.318	1.725	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cc2c([nH]1)CCCC2)C1CC1	855096708	XVZWMOABJWCTEQ-SECBINFHSA-N	306.435	1.801	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(C)c(O)c1	854386072	IMHROKSEVUVTIX-UHFFFAOYSA-N	310.350	1.251	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ncc(Cl)cn1	857356427	ZWROQFDNFRSCHW-ZETCQYMHSA-N	315.761	1.486	50	20	DDGD	
O=C(NN=Cc1cnc2ncccn12)Nc1ccc(C(=O)O)cc1	755750476	POHQLVMOBPVNIA-UHFFFAOYSA-N	324.300	1.583	50	20	DDGD	
CCn1cc(CNC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)nn1	855614186	SHXUWYMWYHPHDR-ACAGNQJTSA-N	323.360	1.040	50	20	DDGD	
O=C(NCc1nc2c(s1)CCC2)NNc1cncc(Cl)n1	924581798	GMANBHBTALLNLE-UHFFFAOYSA-N	324.797	1.902	50	20	DDGD	
O=C(Cc1ccc(O)cc1)NNC(=O)c1ccc2c(c1)OCO2	751070136	GKRLMJOAVGUSID-UHFFFAOYSA-N	314.297	1.125	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1ccc2nc[nH]c2n1	755299693	RFDWTLLWQVWGHD-UHFFFAOYSA-N	313.292	1.101	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NC[C@@H](C)S(C)(=O)=O	853900155	BKPQHZLMIBXZOD-SECBINFHSA-N	303.359	1.193	50	20	DDGD	
CN(C)C1(CNC(=O)NNC(=O)CCc2ccccc2)CC1	923009770	YZCZRKJUSWXRMA-UHFFFAOYSA-N	304.394	1.044	50	20	DDGD	
COc1ccnc(NNC(=O)c2cccc(C3OCCO3)c2)n1	758001981	KHMZBTGTUNZNTB-UHFFFAOYSA-N	316.317	1.288	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCCCOc1cccc(C#N)c1	854924269	SFWIPXCSYLGPCC-UHFFFAOYSA-N	320.418	1.575	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1c[nH]c2nccc-2c1	854388497	NFZHUESBLFLLGZ-UHFFFAOYSA-N	320.349	1.065	50	20	DDGD	
O=C(NC[C@@H](O)c1cccc(F)c1)NNC(=O)C1CCCC1	753343215	FHOQOAWTWNDMIZ-CYBMUJFWSA-N	309.341	1.380	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1cccc(Cn2cccn2)c1	755685434	XSRAZUPRMKSCCB-UHFFFAOYSA-N	313.361	1.884	50	20	DDGD	
O=C(Cc1ccc(O)cc1)NNC(=O)Cn1cnc2ccccc21	751200173	NHKJRPHYISQGIH-UHFFFAOYSA-N	324.340	1.132	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H]2C[C@@H]2C1)c1cccc2cccnc12	852031090	XYSPWBUZXVJIML-QWHCGFSZSA-N	310.357	1.931	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](C)Sc1ccc(OC)cc1	854926036	SUNNWTUWXXPWSF-VIFPVBQESA-N	313.448	1.643	50	20	DDGD	
C[C@@H](CN1CCCCC1)NC(=O)NNC(=O)c1cccc(F)n1	852182221	UTFPHHDHCDTGON-NSHDSACASA-N	323.372	1.039	50	20	DDGD	
CCn1cc(CC(=O)NNc2ccc(C)c(C(=O)OC)c2)cn1	857267084	MRSKMYQYLCPSPW-UHFFFAOYSA-N	316.361	1.684	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cccc(N2CCCNC2=O)c1	756791759	GGXHDASIYWYZKW-UHFFFAOYSA-N	305.338	1.169	50	20	DDGD	
C#CCNC(=S)NNC(=O)c1cccc(Br)c1	758260999	YVCXKZYUZQLRQG-UHFFFAOYSA-N	312.192	1.191	50	20	DDGD	
O=C(C[C@H]1CSCCS1)NNC(=O)NC1CCCCC1	751540940	NXXNOHLPIRKTKQ-NSHDSACASA-N	317.480	1.888	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccccc1OC1CCCC1	755974578	UIIKUUAHWIXBIQ-UHFFFAOYSA-N	307.350	1.807	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCn2c(nnc2C(C)(C)C)C1	856362844	RXUUUAZTGGIHPK-KHPPLWFESA-N	303.366	1.362	50	20	DDGD	
Cc1cc(CC(=O)NN=C2C(=O)Nc3cccc(Cl)c32)n[nH]1	750933165	YFWUTKFINIIFNU-UHFFFAOYSA-N	317.736	1.387	50	20	DDGD	
COC(=O)N[C@@H](CC(C)C)C(=O)NNc1ccnc(Cl)c1	855462177	PVRCMXXUNQTPHB-JTQLQIEISA-N	314.773	1.949	50	20	DDGD	
COC1(C(=O)NC[C@@]2(C)C[C@@H]2Br)CCOCC1	857387253	GIVVJPDBAVBNKX-GXSJLCMTSA-N	306.200	1.472	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CN(C)c2ccccc2)nc1	759731056	QOEWRXFDEXVBEV-UHFFFAOYSA-N	314.345	1.448	50	20	DDGD	
O=C(C[C@H]1CC(=O)NC1=O)NNc1cc(Cl)cc(Cl)c1	935624343	NPFQLPOTZGYZLX-ZCFIWIBFSA-N	316.144	1.489	50	20	DDGD	
COC(=O)Cc1sccc1C(=O)NNC(=O)C1CCCC1	864845491	WKCSPRWLLRSTLE-UHFFFAOYSA-N	310.375	1.415	50	20	DDGD	
CC[C@H](CC(F)(F)F)NC(=O)NNC(=O)Cc1ccncc1	760720073	SBGIRLSBSXMQES-SNVBAGLBSA-N	318.299	1.686	50	20	DDGD	
CCO[C@H](C(=O)NNc1ccc(C(=O)OC)c(F)c1)C1CC1	861926045	AFKWEHWDBPUDKF-ZDUSSCGKSA-N	310.325	1.871	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)CCc1ccc(OC)cc1	868429715	HJXZRUFOOGOBOK-UHFFFAOYSA-N	308.378	1.590	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)C(=O)Nc1ccccc1Cl	764069900	GKQGGGSQABDLMV-UHFFFAOYSA-N	309.753	1.616	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1cc(F)cc(Cl)c1	763817126	BGZAUVWCHQNYBT-UHFFFAOYSA-N	301.705	1.221	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](C)OCc2ccncc2)nc1	867644741	YDSTUJIMYQSUTR-NSHDSACASA-N	302.334	1.534	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)c2ccccc2F)c1	763563025	WEEFPSIBYHAMDO-UHFFFAOYSA-N	315.304	1.534	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NN(C)CCOC	861657211	QNZKXIQOWYNNSE-NSHDSACASA-N	303.403	1.241	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NC[C@@H](O)COCC1CC1	768263933	JLUUZUMEXBWHQV-MNOVXSKESA-N	322.243	1.700	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCc1ccc(CN)cc1F	866775062	TZPJHNJMDOMRKO-UHFFFAOYSA-N	322.833	1.969	50	20	DDGD	
C[C@H](CO[C@@H]1CCOC1)NS(=O)(=O)CC(C)(C)CCl	866942456	TXGWUGXPXRARAN-GHMZBOCLSA-N	313.847	1.365	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc2c(c1)CCO2	769767258	GCLCMEXFWGEVLG-UHFFFAOYSA-N	311.432	1.093	50	20	DDGD	
CSCCNC(=S)NNC(=O)C[C@H](C)c1ccco1	860540638	DXZCMSXBXUPGGC-VIFPVBQESA-N	301.437	1.632	50	20	DDGD	
O=C(NN=Cc1ccc(O)cc1)c1cc([N+](=O)[O-])ccc1O	864324246	RUQCWXVSXMPDMY-UHFFFAOYSA-N	301.258	1.770	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)Cc2ccco2)c1	764523122	GDHSURWFWUSQKX-UHFFFAOYSA-N	302.330	1.665	50	20	DDGD	
N#CSCCCNC(=O)[C@@H]1CCCCN1C(=O)c1ccco1	773586657	WRJNATSORVLASM-LBPRGKRZSA-N	321.402	1.995	50	20	DDGD	
O=C(NNc1c(F)cccc1Cl)C1(C(=O)NC2CC2)CC1	771673571	GEZUOLWVYRMVSI-UHFFFAOYSA-N	311.744	1.981	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@H](C)Cc2ccc(O)cc2)cc[nH]1	875143299	KOWWKZRZQTWJKJ-GFCCVEGCSA-N	300.362	1.775	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H]1CCN(c2ccccc2F)C1	875611322	JBAVAVHHBJWZRO-NSHDSACASA-N	324.356	1.564	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1CCCCO1	772016357	CABSEECYONPYHO-ZZTKBFGJSA-N	306.406	1.919	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccccc1F	771969622	SSCAWDQJFVELRA-SNVBAGLBSA-N	310.325	1.565	50	20	DDGD	
Cc1nc2c(s1)C(=NNC(=O)C[n+]1ccccc1)CCC2	1116886910	TXNCSJKSMURDHV-UHFFFAOYSA-O	301.395	1.596	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)CC1	778557948	XJYXDXREJALNFL-UHFFFAOYSA-N	315.329	1.529	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1ccn(CC(F)F)n1	775659706	JBTFTWDUUYRNHR-UHFFFAOYSA-N	301.232	1.226	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(CC(F)F)C2CC2)c1	777582459	HICPAIQPLADRRC-UHFFFAOYSA-N	311.332	1.486	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCc1ccc(OC(C)C)cc1	875060362	FVJVKXXDFILTOS-UHFFFAOYSA-N	309.366	1.929	50	20	DDGD	
COc1cccc(NNC(=O)C2CCC(NC(C)=O)CC2)n1	1123683876	ALIYDCIMEUUDPY-UHFFFAOYSA-N	306.366	1.228	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)c1ccccc1C)[C@@H]1CCCO1	773135506	NHKPCYYGNCYBFW-KGLIPLIRSA-N	301.346	1.120	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)c1cccnn1)c1ccccc1	883128620	OOXKEDVIMIBKJV-UHFFFAOYSA-N	313.361	1.398	50	20	DDGD	
COc1c(C(=O)OC[C@@H](C)CBr)c(C)nn1C	770372130	WVOJFVWLEGHPIL-ZETCQYMHSA-N	305.172	1.925	50	20	DDGD	
CC(=NNC(=O)CO)c1ccc(OC[C@@H]2CCCCO2)c(F)c1	776777245	WYXHJWQYHBUITL-ZDUSSCGKSA-N	324.352	1.606	50	20	DDGD	
O=S(=O)(CCCCl)Oc1ccccc1-n1cncn1	882243740	DCIBMRSFBZBKTE-UHFFFAOYSA-N	301.755	1.605	50	20	DDGD	
Cc1cccnc1NNC(=O)NCc1cccc2c1OCCO2	1122198856	OEWUBNKWPMAONR-UHFFFAOYSA-N	314.345	1.988	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cc(N2C[C@@H](C)O[C@H](C)C2)ccn1	770813713	ONMYQTCGKPBGJV-VXGBXAGGSA-N	320.393	1.112	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ccc(Cl)cc2F)CCC1	885106941	NQKZJNMMAJPWNG-UHFFFAOYSA-N	320.773	1.890	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H](CC(C)C)NC(C)=O	783467938	SBRLEQBJDUYUPB-ZDUSSCGKSA-N	321.377	1.007	50	20	DDGD	
C=C(CBr)n1cc(C[C@@H](CC)C(=O)OC)nn1	881315561	HSDBUZZUEDKUKN-SECBINFHSA-N	302.172	1.885	50	20	DDGD	
CCCN(NC(=O)c1cn(C)nc1OC)C(=O)OC(C)(C)C	883969621	PNHJLWBPLRAVNF-UHFFFAOYSA-N	312.370	1.721	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccn(-c2ccc(C)cc2)n1	880028422	DAHCMNWOFXBTDO-UHFFFAOYSA-N	303.366	1.795	50	20	DDGD	
C[C@H]1CC[C@@H](NC(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)C1	780787460	MTQSHXHKYLEFSC-DTWKUNHWSA-N	322.321	1.433	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@H]2CO[C@@H](C)C2)cc1	784075532	TXKYCPBQVATTTF-WCQYABFASA-N	306.362	1.200	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1nc(C2CCC2)cs1	789741320	SNGOOUGYYGTBCY-UHFFFAOYSA-N	324.406	1.543	50	20	DDGD	
COC(C)(C)CC(=O)NNC(=O)c1cc(Br)c[nH]1	784770510	XDYAQMADSJQIMW-UHFFFAOYSA-N	318.171	1.353	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCCOC[C@@H]1CCOC1	787341986	ZDKIPLBUZKDMIF-UWZYDCLUSA-N	316.357	1.468	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1cccc(-n2cccn2)c1	794957753	FVRRYDOVZVDTTG-UVTDQMKNSA-N	302.359	1.628	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)c2[nH]ccc2C)c1	797906084	VSPSFFPEAGXJTD-UHFFFAOYSA-N	315.329	1.250	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccncc1Br	798305120	JHZRCGHUTMCFLO-UHFFFAOYSA-N	315.196	1.139	50	20	DDGD	
C[S@@](=O)c1ccc(C(=O)NNc2nc3ccccn3n2)cc1	791261058	ZKLCMKRKFMNNCL-JOCHJYFZSA-N	315.358	1.224	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H]1CC(c2cccnc2)=NO1	790129764	XKFAXYNAKLIJLY-HNNXBMFYSA-N	324.340	1.344	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)o1	794211998	ZKXKYTOAYIASIX-UHFFFAOYSA-N	321.296	1.616	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccncc1C(F)(F)F	795585968	BEIKFWCFBCOJET-UHFFFAOYSA-N	304.272	1.845	50	20	DDGD	
O=C(NCCc1cnccn1)NNC(=O)c1ccccc1Cl	1319804909	PGZPDBIPASUEBU-UHFFFAOYSA-N	319.752	1.317	50	20	DDGD	
Cn1c(C(=O)NNC(=O)c2ccccc2Cl)cccc1=O	1320211748	AERAZVUTTROMPP-UHFFFAOYSA-N	305.721	1.114	50	20	DDGD	
Cc1onc(CO)c1C(=O)NNc1nccnc1C1CCC1	1327635776	PZZXHXZVQHTKFM-UHFFFAOYSA-N	303.322	1.290	50	20	DDGD	
CCOC(=O)/C(C#N)=C\c1ccc(OC)c(OCC(N)=O)c1	1248407218	IHRZEFCQKGSMCY-WDZFZDKYSA-N	304.302	1.029	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)NC/C=C\C1CC1	1324643969	NJIFWKCVBKMXCZ-ARJAWSKDSA-N	305.334	1.068	50	20	DDGD	
Cc1ccn(-c2cccc(C(=O)NNC(=O)NC(C)C)c2)n1	1325025728	ILXMASKVQDMSIJ-UHFFFAOYSA-N	301.350	1.533	50	20	DDGD	
C=C[C@@H]1OCCC[C@H]1NC(=O)NNc1nncc(N)c1Cl	1326683748	ODFZHDNYFVLAIR-BDAKNGLRSA-N	312.761	1.072	50	20	DDGD	
Cc1nn(C(F)F)c(C)c1CC(=O)NNC(=S)NC(C)C	1337858690	JVTLVIJOXZZALL-UHFFFAOYSA-N	319.381	1.341	50	20	DDGD	
O=C(NN=Cc1cc(Cl)c2c(c1)OCCO2)C1CCOCC1	1333214544	IJMOZBFTNFSODC-UHFFFAOYSA-N	324.764	1.988	50	20	DDGD	
Cn1nncc1NNC(=O)c1c(C(F)F)nc2n1CCCC2	1333487197	DVGUGIOKNUCEHV-UHFFFAOYSA-N	311.296	1.042	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](C)Cc2c(C)n[nH]c2C)n1	1339801395	AZUUOXREAOXZGG-MRVPVSSYSA-N	318.381	1.455	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1snnc1C1CC1	1347362224	QFAXHSUFEOIQPR-UHFFFAOYSA-N	306.307	1.476	50	20	DDGD	
CCCCc1nc(C=NNC(=O)c2cccnn2)c(Cl)[nH]1	1262037920	PTKGPOAQZYTDEN-UHFFFAOYSA-N	306.757	1.960	50	20	DDGD	
CN1CCCC[C@@H]1CNC(=O)NNc1cccc([N+](=O)[O-])c1	1347043592	RAKYPUZWRJAPNN-CYBMUJFWSA-N	307.354	1.705	50	20	DDGD	
CC(C)=CCCNC(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1351179219	USIZBVGFEOKYRK-MFKMUULPSA-N	317.227	1.749	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2ccc(C(=O)O)cc2F)cn1C	1600066000	URMKLEPMWCUIMT-UHFFFAOYSA-N	319.292	1.288	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)O)C[C@@H]23)nc1	1600461321	JWJMALVMOHHNNH-KKOKHZNYSA-N	304.350	1.515	50	20	DDGD	
O=C(NNc1ccc(F)cc1)C(=O)Nc1sccc1C(=O)O	1608480451	KUYLDMMDNLJPFE-UHFFFAOYSA-N	323.305	1.667	50	20	DDGD	
O=C(O)CCN1CCC(=NNC(=O)c2ccc(Cl)nc2)CC1	1608723046	HHVZWKXFIVLJMG-UHFFFAOYSA-N	324.768	1.391	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1ccc(-n2ccnc2)nc1	1605821231	YKIJDEUVUZMMDF-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
O=C(NN=Cc1ccoc1C(=O)O)c1cccc([N+](=O)[O-])c1	1601552922	NRBHLAKYNVCQSR-UHFFFAOYSA-N	303.230	1.650	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)COCC(=O)O)C1	1602921297	GJLPCGMQICUUFF-NSHDSACASA-N	317.458	1.710	50	20	DDGD	
Cc1cc(C(=O)NNc2cccc(C(=O)O)c2F)cc(O)n1	1607580352	XCLUGFOPYPNRHA-UHFFFAOYSA-N	305.265	1.690	50	20	DDGD	
COC(=O)/C(C#N)=C\c1ccc(-c2nn[nH]n2)cc1C(F)(F)F	1609291981	LQLDMWHXMRZHKW-WTKPLQERSA-N	323.234	1.965	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNc1cccc(C(=O)O)c1F	1610013472	PZDKZINLFXUZRM-QMMMGPOBSA-N	312.297	1.556	50	20	DDGD	
O=C(NN=Cc1nccc2ccccc12)[C@H]1CN2CCC[C@@H]2CO1	1549315968	DIXPRLKGIZKZHK-RHSMWYFYSA-N	324.384	1.548	50	20	DDGD	
O=C(NN=C1CCC(C(F)F)CC1)[C@H]1CN2CCC[C@@H]2CO1	1549321434	SQGXXLGFXMELDY-SKVSWLLESA-N	315.364	1.777	50	20	DDGD	
O=C(NNc1cnccn1)Nc1cc(F)c(C(=O)O)c(F)c1	1610701040	ZHQKNUCWQMWQHE-UHFFFAOYSA-N	309.232	1.602	50	20	DDGD	
I[C@@H]1COC[C@@H]1OC[C@H]1CCCCO1	253145242	ZMMJHCBQYBZMLC-BBBLOLIVSA-N	312.147	1.775	50	20	DDGD	
CC#CC[C@H](N)C(=O)NNc1c(C)cccc1Br	1574973636	XMUYQXVTNFVFCP-NSHDSACASA-N	310.195	1.941	50	20	DDGD	
CC[C@@H]1NCC[C@@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	1577308313	LNDNKYSGVIEZAL-UWVGGRQHSA-N	302.300	1.932	50	20	DDGD	
CN(NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21)C(=O)N1CCNCC1	1578506103	HJXZJKNPOVJTKD-SOUVJXGZSA-N	322.453	1.581	50	20	DDGD	
NCCCCCC(=O)NNC(=O)c1cc(C(F)(F)F)ccn1	1580292628	GYPFGGZOQOOQHZ-UHFFFAOYSA-N	318.299	1.381	50	20	DDGD	
CC(C)C[C@H](CNC(=O)NNC(=O)c1ccc[nH]1)CC(=O)O	1588894396	QFRBOBCVQWDDBP-JTQLQIEISA-N	310.354	1.096	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1	1842806506	CTIFIFIDLUMBAX-GFCCVEGCSA-N	323.824	1.901	50	20	DDGD	
O=C([C@@H]1CCCCO1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843361859	VZWBXVSINGWLQW-QWRGUYRKSA-N	318.776	1.293	50	20	DDGD	
CC1(C(=O)N2CCCC23CN(C(=O)[C@H](F)Cl)C3)CCC1	1841021659	IKYVWDQBTOATOW-JTQLQIEISA-N	302.777	1.914	50	20	DDGD	
CCC(=O)N1CC2(CCCN2C(=O)[C@@H](Br)CC)C1	1846069472	CNQWNUFEGBFOQL-JTQLQIEISA-N	317.227	1.773	50	20	DDGD	
N#Cc1ccc(NNC(=O)Nc2ccc(-c3nn[nH]n3)cc2)nc1	1592697267	SEYJFDNWJGWEJB-UHFFFAOYSA-N	321.304	1.282	50	20	DDGD	
CC(C)(NS(=O)(=O)CCCCCl)c1cc(C(=O)O)on1	1590875125	UWPDTRUJLJNDLI-UHFFFAOYSA-N	324.786	1.546	50	20	DDGD	
C[C@@](Cl)(CCl)C(=O)N1CC2(CCCN2C(=O)C2CC2)C1	1846761628	QSIQPNOMSKDJEF-CYBMUJFWSA-N	319.232	1.836	50	20	DDGD	
COCC(=O)NN=C(C)c1ccc(-c2nn[nH]n2)cc1Cl	1591367523	IUQUJBIUCPECDP-UHFFFAOYSA-N	308.729	1.007	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](C(=O)O)c1cc(F)ccc1F	1596864989	YTBZPRRKZFUNOR-KRZKBDHCSA-N	310.256	1.651	50	20	DDGD	
O=C(O)[C@H](C(=O)NNc1cc(C(F)(F)F)ccn1)C1CC1	1594836297	SYHWYWHBPIYOHE-VIFPVBQESA-N	303.240	1.654	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1CC[C@@H]1C(=O)O)c1ccccc1	1594736077	JHBABJIAZXQRIC-XQQFMLRXSA-N	304.346	1.438	50	20	DDGD	
CCC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl	1796810595	QYWNXRRCTMXJBZ-DKIAZLNASA-N	304.749	1.138	50	20	DDGD	
CCCc1nccn1CC(=O)NNC(=O)c1cccc(C#N)c1	158117915	UBRDJZRYGDVBQD-UHFFFAOYSA-N	311.345	1.168	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(C)Cc1ccc(C(=O)OC)cc1	158882733	MGCBUMFFUFHENT-KAMYIIQDSA-N	302.330	1.876	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cncc(F)c1	164312509	QPKPQVJQXSNLON-VIFPVBQESA-N	321.283	1.588	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1	151591797	UGAQZOALFWKKLR-UHFFFAOYSA-N	307.285	1.712	50	20	DDGD	
C[C@@H]1OCCN(C(=O)NNC(=O)c2cc3ccccc3o2)[C@@H]1C	151271276	FBIYJOJZSCEIRI-MNOVXSKESA-N	317.345	1.896	50	20	DDGD	
COCCOCC(=O)NNc1ccccc1Br	153413018	FSSJZRNKNDGNEA-UHFFFAOYSA-N	303.156	1.555	50	20	DDGD	
O=C(Cc1ccc(O)cc1)NNC(=O)c1c[nH]c2ccccc12	153982604	FWCMTYDGBNCVNF-UHFFFAOYSA-N	309.325	1.877	50	20	DDGD	
CCOc1cc(Cl)ccc1NC(=O)NNC(=O)CN(C)C	156193290	RMAVPMQJNXCMFR-UHFFFAOYSA-N	314.773	1.453	50	20	DDGD	
CC(C)OCC[C@H](O)CN(C)NC(=O)OCc1ccccc1	859386593	VNPMSUMJOXDRKL-HNNXBMFYSA-N	310.394	1.936	50	20	DDGD	
CCCN(CCC)C(=O)c1cccc(C(=O)NNC(=O)NC)c1	103074044	JWBQVNRTZUDSPR-UHFFFAOYSA-N	320.393	1.523	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H]1CCCN(Cc2ccccc2)C1	58880320	JGCAAIBEKJKNHC-HNNXBMFYSA-N	318.421	1.637	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2cccnc2)c(F)c1	103424536	WJARINLUFSQKHZ-UHFFFAOYSA-N	303.293	1.233	50	20	DDGD	
O=C(CN[C@H](c1ccccc1)c1ccccn1)NNC(=O)C1CC1	112975825	UKWMJHCWLKEHEC-QGZVFWFLSA-N	324.384	1.318	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)cc1	119933982	PHPJXPSQKDBCJT-CQSZACIVSA-N	324.384	1.882	50	20	DDGD	
Cc1ccc(C(=O)NNc2nc3ccccc3c(=O)n2C)n1C	113186333	HJJITFLAMICIRL-UHFFFAOYSA-N	311.345	1.337	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@@H]2COc3ccccc32)c1	113049280	NSWWLZZSBUWKMC-CQSZACIVSA-N	307.309	1.495	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1ccnc(F)c1	106285806	XEDFEDVVQAGLEO-UHFFFAOYSA-N	303.293	1.320	50	20	DDGD	
Cn1c(NNC(=O)CC[C@H]2CCCO2)nc2ccccc2c1=O	113186569	NJERVCIQBCEXJE-LLVKDONJSA-N	316.361	1.336	50	20	DDGD	
CN(C)N(C(=O)c1ccc2c(c1)CCC2)[C@@H]1CCS(=O)(=O)C1	68525722	NDMCACSTJMMJFG-OAHLLOKOSA-N	322.430	1.281	50	20	DDGD	
O=C(NCc1cccnc1OCC(F)F)NNc1cccnn1	179408475	GSXFTYXRARWTSZ-UHFFFAOYSA-N	324.291	1.342	50	20	DDGD	
CNc1cc(C(=O)NNc2nccnc2Cl)cc(Cl)n1	114895615	NSKFUADOUVFKDX-UHFFFAOYSA-N	313.148	1.977	50	20	DDGD	
O=C(CCCCN1CCOCC1)NNc1ccc([N+](=O)[O-])cc1	178819042	YXTGVLYAVXHARP-UHFFFAOYSA-N	322.365	1.540	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NCC2CC2)cc1OC	65193634	MOYUOMPSUGWUHD-UHFFFAOYSA-N	321.377	1.377	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCCO1)C(=O)NNc1nccnc1Cl	114894941	XDGGWPOUOQXYIO-ZJUUUORDSA-N	314.773	1.547	50	20	DDGD	
CCc1ccc([C@H](COC)NC(=O)NNc2ccc(C)nn2)o1	173515668	UKTFIFNXCWTNEZ-LBPRGKRZSA-N	319.365	1.954	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H](C)Cn2ccnc2C)nn1	171603448	UZQUQHJDKDVDNZ-SNVBAGLBSA-N	303.370	1.252	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cccc([N+](=O)[O-])c2)o1	176858043	FAVOOOPELCNZOF-UHFFFAOYSA-N	304.262	1.963	50	20	DDGD	
Cc1ccsc1C(=O)NNC(=O)Cc1cn2ccccc2n1	66557276	KHPFNEUVYCWJQG-UHFFFAOYSA-N	314.370	1.708	50	20	DDGD	
Cn1cnc2cc(C(=O)NNC(=O)CCc3ccccc3)ccc21	129324985	QRICTXBMFHXZCE-UHFFFAOYSA-N	322.368	1.967	50	20	DDGD	
CCN(C)C(=O)c1cccc(C(=O)NNc2cc(C)ncn2)c1	172275961	PWLYCIIVEXFWIM-UHFFFAOYSA-N	313.361	1.634	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1NC	64884557	VJSZQXKBTYIXKX-UHFFFAOYSA-N	309.326	1.381	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)Nc2ccc(F)nc2)c1	183238975	KWBDQOJCHSSLHT-UHFFFAOYSA-N	317.324	1.753	50	20	DDGD	
CCCn1cc(NC(=O)NNC(=O)c2ccccc2O)cn1	186218780	AFIZJAIADGYKSS-UHFFFAOYSA-N	303.322	1.465	50	20	DDGD	
COC(=O)C1CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)CC1	188057716	CEEOBOSCJZBWID-UVTDQMKNSA-N	314.341	1.711	50	20	DDGD	
CSCC[C@H](C)NC(=O)NNC(=O)c1cccc(C#N)c1	77662052	BYTFSABDFYKLQP-JTQLQIEISA-N	306.391	1.644	50	20	DDGD	
COC1(CNC(=O)NNC(=O)Cc2ccc(F)cc2)CCC1	181530161	MGBJEWGDOHECPE-UHFFFAOYSA-N	309.341	1.268	50	20	DDGD	
CCOC1CC(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	189757794	VLUDLNAZYAGAEV-UHFFFAOYSA-N	321.333	1.561	50	20	DDGD	
Cc1c(CCC(=O)NNc2nnc(C3CC3)s2)cnn1C	184477683	PWDYCWLVQUNKPK-UHFFFAOYSA-N	306.395	1.533	50	20	DDGD	
CO[C@H](C)CCC(=O)NNc1nnc(-c2ccccn2)s1	188200880	DNOCXMJUWCAFHO-SECBINFHSA-N	307.379	1.858	50	20	DDGD	
CN1CCC(C(=O)NNC(=O)CCCc2ccccc2)CC1	73331078	UWCWFAXKNPTRIA-UHFFFAOYSA-N	303.406	1.499	50	20	DDGD	
O=C(CSc1ccc([N+](=O)[O-])cc1)NNc1ncccn1	44715693	SUIKDMDGOUFRLM-UHFFFAOYSA-N	305.319	1.620	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc(OC)c(F)c1	194177108	POIKAQYMDRKLCQ-MRVPVSSYSA-N	304.343	1.190	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNc2nc3ccccn3n2)c1	191925365	FYNUCMJAZBVHTD-UHFFFAOYSA-N	311.345	1.868	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C[C@@H]2CCCCO2)cc1	87193780	NGDRGWBXFGCIAW-HNNXBMFYSA-N	320.389	1.734	50	20	DDGD	
C=CCNc1ncc(C(=O)NNC(=O)c2ccccc2)s1	136064980	MISSYDBAYVEGQC-UHFFFAOYSA-N	302.359	1.816	50	20	DDGD	
COc1nccnc1NNC(=O)C1=Cc2cc(F)ccc2OC1	131767643	WFKVCTCOLCQVGA-UHFFFAOYSA-N	316.292	1.543	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(F)c(N2CCCC2)c(F)c1	47860736	VNEQHMLTCWSEAF-UHFFFAOYSA-N	314.292	1.958	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCOCc2ccccc2)o1	84284357	GNPNHUDPLUOIQW-UHFFFAOYSA-N	302.330	1.956	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)CC1(O)CCCC1	81234077	CAPJQYXQYNCPND-UHFFFAOYSA-N	316.361	1.099	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CSCC(F)(F)F)n1	89242531	QOLKTXBNMDOPNH-UHFFFAOYSA-N	310.301	1.532	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12	249519348	KERVCNDDLASEGY-DKKFBCOVSA-N	302.378	1.783	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2nc3ccccn3n2)C[C@@H](C)O1	250306137	KJFMTNBXWSCXMS-JGPRNRPPSA-N	304.354	1.311	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)CNc2ccccc2OC)O1	268201787	GHQFNWKYSHUWJK-BXUZGUMPSA-N	321.377	1.212	50	20	DDGD	
CCC(=O)c1cccc(S(=O)(=O)NNC(=O)NC(C)C)c1	269428739	OSBDXRQYTVYYOA-UHFFFAOYSA-N	313.379	1.180	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccnc(N2CCCC2)n1	265736143	UIZITKSBIHBGHQ-UHFFFAOYSA-N	307.354	1.246	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@H]1CCc2nccn2C1	366151420	KPMZQQFPLJWDKL-VIFPVBQESA-N	319.296	1.636	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)COc2ccccc2OC)O1	268244381	AMZPNLILOAXSDL-SMDDNHRTSA-N	322.361	1.179	50	20	DDGD	
COCCC(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C	263924542	QWNAIUXQTJURHA-UHFFFAOYSA-N	315.373	1.892	50	20	DDGD	
C#CCOc1ccccc1CNC(=O)NNC(=O)CC(C)(C)C	265222815	UCXPJZLLYKBNJJ-UHFFFAOYSA-N	317.389	1.965	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2[nH]ncc2C1	270130616	BJMKVTGEAAYEEE-SECBINFHSA-N	301.306	1.566	50	20	DDGD	
C=CCCCCNC(=O)NNC(=O)[C@H]1COc2ccccc2O1	274550609	IMLAKJZDJJNEKK-CQSZACIVSA-N	319.361	1.513	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cc([C@@H]2CCCO2)nn1C	278915142	GVHFJLJONOUVSN-NSHDSACASA-N	309.370	1.470	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2n[nH]cc2C1)c1ccc(Cl)nc1	362737591	QXSSRIWXUQAPBF-QMMMGPOBSA-N	319.752	1.024	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H](C(=O)NNC(=O)c2ccccn2)C1(C)C	275552442	VEFIXTADIBEONO-QWRGUYRKSA-N	303.362	1.484	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NOC[C@@H]1CCOC1	276310129	VTBCFYWXSPPXPC-CQSZACIVSA-N	321.377	1.308	50	20	DDGD	
Cc1cc(NNC(=O)C2CN(C(=O)OC(C)(C)C)C2)nc(C)n1	273584598	ZRIXTJJCQCCHMI-UHFFFAOYSA-N	321.381	1.403	50	20	DDGD	
Cc1cccnc1NNC(=O)NCc1cnc(N(C)C)n1C	276745352	YWVQCMYGUDQUBC-UHFFFAOYSA-N	303.370	1.016	50	20	DDGD	
CCn1c(NNC(=O)[C@@H](OC)C2CC2)nc2ccccc2c1=O	280823986	NOCIHVAUAWBJRF-ZDUSSCGKSA-N	316.361	1.285	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H](C)CN1CCOCC1	288723992	OUNGKDRBZIDFDN-GFCCVEGCSA-N	322.365	1.315	50	20	DDGD	
CN(C)c1n[nH]c(NC(=O)[C@H](Br)C(C)(C)C)n1	285936994	HMMDROFYYHVOCZ-LURJTMIESA-N	304.192	1.619	50	20	DDGD	
COC(=O)N(C)NC(=O)CCc1cnn(-c2ccccc2)c1	286358378	MVXCYTMFMBUMHS-UHFFFAOYSA-N	302.334	1.534	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1ccc2c(c1)OCCO2	298658250	OXCAJLJWMXWABQ-UHFFFAOYSA-N	307.350	1.334	50	20	DDGD	
CSSCCNC(=O)N[C@H](CC(N)=O)c1ccccc1	297947182	KKLATALAXMBZAQ-LLVKDONJSA-N	313.448	1.914	50	20	DDGD	
CC[C@H](C)n1nc(C(=O)NNC(=O)N=c2cc[nH]cc2)cc1C	802027010	NOZMBKJUVFTRSV-JTQLQIEISA-N	316.365	1.446	50	20	DDGD	
CN(CCNC(=O)NNc1ccncn1)Cc1ccc(F)cc1	296548885	QTHVEINNAYFQIP-UHFFFAOYSA-N	318.356	1.374	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C(=O)Nc1cccnc1	807456858	WCUFJKVGRUUKNO-UHFFFAOYSA-N	315.289	1.380	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cncs1	807310848	UJPVSCVGQKVSJH-QMMMGPOBSA-N	309.322	1.511	50	20	DDGD	
CCc1c(C(=O)NNC(=O)Cc2ccccc2F)ccn1C	290853093	RGVSFIPOXHCQGR-UHFFFAOYSA-N	303.337	1.730	50	20	DDGD	
CS(=O)(=O)NNC(=O)c1cc2c(s1)CCCCCC2	298676644	VXQZWNBCQCICRH-UHFFFAOYSA-N	302.421	1.601	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(Cl)n1)n1nnnc1C(C)(C)C	293724253	PTZCAXKTMJFVRI-MRVPVSSYSA-N	323.788	1.723	50	20	DDGD	
C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)NNC(=O)C1CCCC1	805351632	KNBNMCZUBZLRPO-GXTWGEPZSA-N	308.426	1.476	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C(F)=C2CCCC2)cc1	801107976	BOPYVVSYGWZBJZ-UHFFFAOYSA-N	319.336	1.879	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc(-c2cc[nH]n2)s1	295675779	XMOUTNHCVDVUIE-SNVBAGLBSA-N	320.374	1.468	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)C1CC1	804154322	GYHYSVVLOIIJTJ-QDIKRATPSA-N	306.406	1.511	50	20	DDGD	
COc1cccnc1CC(=O)NNc1cc(Cl)nc(C)n1	806933144	UYGMGXSUKXFAQJ-UHFFFAOYSA-N	307.741	1.528	50	20	DDGD	
Cn1nnc2c1C[C@H](C(=O)NNc1ccc(Cl)nc1)CC2	290359054	OVBURVFUQDXGGW-MRVPVSSYSA-N	306.757	1.112	50	20	DDGD	
C[C@H]1C[C@H](CNC(=O)NNc2ncc(F)cc2F)CCO1	297455481	VPEHRPSIJWCFGQ-DTWKUNHWSA-N	300.309	1.801	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1	295533704	FSKUYJOXLAUQHA-LBPRGKRZSA-N	317.172	1.974	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccccc2OC2CC2)n[nH]1	807084655	OHHDNYYTLFZFHR-UHFFFAOYSA-N	300.318	1.334	50	20	DDGD	
N#Cc1cccc(NNC(=O)CNc2ccccc2C(N)=O)c1	809730491	PQYQHZSTFIYYFU-UHFFFAOYSA-N	309.329	1.212	50	20	DDGD	
Cc1ccccc1CCNC(=O)NNC(=O)[C@H]1CCCCO1	296146677	JHEQBQYRGGIQTJ-CQSZACIVSA-N	305.378	1.437	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1sccc1C1CC1	802028209	NTOFMPVJASLFHY-UHFFFAOYSA-N	302.359	1.909	50	20	DDGD	
COc1nccnc1NNC(=O)c1n[nH]c2c(OC)cccc12	809765743	PTMLZOKRLFXJRA-UHFFFAOYSA-N	314.305	1.127	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](C)c1ccc(C)o1	807370650	QASRRUKYFAAZSR-NSHDSACASA-N	312.366	1.628	50	20	DDGD	
Cc1cccc(C)c1NC(=O)C(=O)NNc1ncccc1F	804214161	VQNSZLKZPUEYDF-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
COc1ccc(NNC(=O)C[C@H](C)n2cccn2)c([N+](=O)[O-])c1	819395500	OCBJHMWSAVGMJI-JTQLQIEISA-N	319.321	1.894	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2cccc(C(=O)O)c2)ccn1	814844720	QLXFRFHMXOYQRG-UHFFFAOYSA-N	312.329	1.610	50	20	DDGD	
COCCCNC(=O)NN=C1CCCc2cc(C(=O)O)ccc21	814820161	ZAEUVUPXVLFTQZ-UHFFFAOYSA-N	319.361	1.761	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2cc(O)cc(C(F)(F)F)c2)cn1	811643698	KONNSNFPMWXPEJ-UHFFFAOYSA-N	312.251	1.908	50	20	DDGD	
O=C(NNc1ncncc1F)[C@H](c1ccccc1)n1cccn1	817070534	IUACXUMEHQSUEN-ZDUSSCGKSA-N	312.308	1.545	50	20	DDGD	
COc1ncc(C=NNC(=O)CNc2ccccc2F)s1	812221469	DAWIYQLEJLITQA-UHFFFAOYSA-N	308.338	1.853	50	20	DDGD	
CC(=NNC(=O)c1ccccn1)c1cn(-c2ccccc2)nn1	814683628	JILVJOLPDHKRKV-UHFFFAOYSA-N	306.329	1.816	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CC(C)(C)C1CC1	815468569	BPSRVZKKRCHYSV-NSHDSACASA-N	312.410	1.938	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)c1ccc2ccccc2n1)C1CCC1	813363522	YVXLMBXEJZAUBY-QGZVFWFLSA-N	313.357	1.547	50	20	DDGD	
Cc1nnc(CC(=O)NNc2ccnc(Br)c2)o1	813520051	DOSXZLCVIJIXAQ-UHFFFAOYSA-N	312.127	1.221	50	20	DDGD	
CCc1cc(NC(=O)NNC(=O)c2ccccc2OC)nn1C	817334669	OHPMGSOQKPSCBF-UHFFFAOYSA-N	317.349	1.458	50	20	DDGD	
CC(CCc1ccc2c(c1)OCO2)=NNC(=O)c1ccnnc1	817342597	SZILSBBCUQURBI-UHFFFAOYSA-N	312.329	1.944	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cnc(OC)s2)c(OC)c1	812225850	QDSWVOBYCFJTDX-UHFFFAOYSA-N	321.358	1.933	50	20	DDGD	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NNc1nc[nH]n1	816634508	LCRCEYKMSSZJJF-ZETCQYMHSA-N	308.323	1.337	50	20	DDGD	
CS(=O)(=O)c1ccc(C(=O)NCC(Cl)Cl)s1	817602007	FVAZQFMIDDGOAA-UHFFFAOYSA-N	302.204	1.685	50	20	DDGD	
Cc1cnn(CCC(=O)NNc2nc(-c3cccnc3)no2)c1	728075199	UVQGAPAJSFMEMR-UHFFFAOYSA-N	313.321	1.170	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CC(C)(C)C)c(-c2cccnc2)n1	728606700	MIIHOFHRUMOLPV-UHFFFAOYSA-N	315.377	1.679	50	20	DDGD	
CC(C)c1cccc(C(=O)NNC(=O)C(=O)N2CCCC2)c1	824877713	WQXGRLVRBGYCAA-UHFFFAOYSA-N	303.362	1.193	50	20	DDGD	
CC(C)(C)OC(=O)[C@@]1(C(=O)NNC(=O)C2CCC2)CC1(C)C	827216511	YVWYZAAQYRPRLN-INIZCTEOSA-N	310.394	1.692	50	20	DDGD	
O=C(CN1C2CCC1CC2)NNC(=O)c1cccc(Cl)c1	822798379	PWNYNXRFEQRBNL-UHFFFAOYSA-N	307.781	1.728	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC1(CO)C2CC3CC(C2)CC1C3	490971243	IPAARAVYRVYUJB-UKTHLTGXSA-N	304.390	1.734	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1cnc2n1CCC2	822736017	KEHJWFIKNKOHDU-UHFFFAOYSA-N	318.308	1.512	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)/C=C\C2CCOCC2)c1	492333676	XWOAHGLCRUHPDV-WAYWQWQTSA-N	324.402	1.516	50	20	DDGD	
C[C@@H](NNC(=O)c1cc(C(F)(F)F)cnc1O)C(F)(F)F	824828999	FDOAGUBLXGFQPI-SCSAIBSYSA-N	317.189	1.991	50	20	DDGD	
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CC1CC1	497175886	FTBKJOBQELAHMF-LBPRGKRZSA-N	313.398	1.483	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CC[C@H](CCCO)C1	491177400	WJPMMYGEATUYMB-QTNMRXCUSA-N	300.358	1.920	50	20	DDGD	
C=CCOCC(=O)NNC(=O)c1cc2ccccc2cc1O	729511505	JORFQGUNVMJCNQ-UHFFFAOYSA-N	300.314	1.509	50	20	DDGD	
O=C(CC1(O)CCC1)NNC(=O)c1cccc(OC(F)F)c1	823088140	JKUCIWLIOUCBMC-UHFFFAOYSA-N	314.288	1.354	50	20	DDGD	
CC(Cn1cccn1)=NNC(=O)CCNC(=O)OC(C)(C)C	495588404	MHBSZAKLCVTUJX-UHFFFAOYSA-N	309.370	1.290	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(CC(=O)OC)c(F)c1	491011242	OJCTWBZTSBDRJK-PKNBQFBNSA-N	306.293	1.924	50	20	DDGD	
C[C@@H](NCc1ccccc1B(O)O)c1nc2c(s1)CCCC2	585025121	MIJQDDIVJJIGGJ-LLVKDONJSA-N	316.235	1.553	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Nc2nnc(C)s2)c1O	726874247	VWGFJTIUUIYNQS-UHFFFAOYSA-N	323.334	1.027	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)c1	728794217	PRHVGQDZPCTNBY-VHRBIJSZSA-N	314.414	1.856	50	20	DDGD	
CC(C)NC(=O)NCCOC(=O)/C(C#N)=C\c1ccc(O)cc1	828900224	XKCAPAIMPBCMIA-LCYFTJDESA-N	317.345	1.550	50	20	DDGD	
CC(C)CNC(=S)NNC(=O)Cn1ccc2ccccc21	729645530	HCOQKBDERRARJE-UHFFFAOYSA-N	304.419	1.793	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CO[C@@H](C)C2)c1F	828440884	WXHAHWMDHFQMSF-DTWKUNHWSA-N	311.313	1.416	50	20	DDGD	
C[C@@H]1OC(=O)N[C@@H]1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	495936615	SCLBDEGZKUFAON-CDUCUWFYSA-N	314.685	1.188	50	20	DDGD	
CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NN=c1cc[nH]cc1	828068547	ZTFHQYBWAIQAJQ-ZDUSSCGKSA-N	306.410	1.524	50	20	DDGD	
O=C(NCCCc1ccc(O)cc1)NNC(=O)c1ccc[nH]1	735761246	NAGIUEKNBMMUGA-UHFFFAOYSA-N	302.334	1.297	50	20	DDGD	
CCOC(=O)c1cc(NC(=O)NNC(=O)OC)c(F)cc1C	495737934	QQFZXCXKJQDQLZ-UHFFFAOYSA-N	313.285	1.703	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NN=Cc2cc[nH]n2)C1	496960655	HESZBWVEJOGAOT-LLVKDONJSA-N	321.381	1.507	50	20	DDGD	
COCC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C1CC1	821679755	LLSZWNLPDAAUMN-UHFFFAOYSA-N	300.322	1.009	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)ccc1[N+](=O)[O-]	831616795	PSWYCWFDJCOFQS-MWLCHTKSSA-N	322.321	1.481	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NOCCOC(C)C)cc(C#N)n1C	491087312	WWLKWAGEUBMVNH-AUWJEWJLSA-N	316.361	1.585	50	20	DDGD	
C[C@@H](NC(=O)c1cc(B(O)O)ccc1F)[C@@H]1C[C@H]2CC[C@H]1C2	584927477	SEQXJANLOGWKLN-BLFANLJRSA-N	305.158	1.060	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccccc1)[C@@H](CO)CC(C)(C)C	832093450	DXDWVYHKWBHYRR-CQSZACIVSA-N	321.421	1.177	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNC(=O)C(C)C)ccc1[N+](=O)[O-]	839473050	BXKHPWOFZWSCPO-UHFFFAOYSA-N	309.322	1.799	50	20	DDGD	
C[C@H](Cc1ccsc1)N(C)C(=O)c1ccc(B(O)O)cc1	584956755	HQIDVQHOJDXLCU-LLVKDONJSA-N	303.192	1.131	50	20	DDGD	
C[C@@](Cc1ccccc1)(NC(=O)c1cccc(B(O)O)c1)C1CC1	584999161	JCJFFXCVHNULTJ-IBGZPJMESA-N	323.201	1.508	50	20	DDGD	
Cc1nn(CCC(=O)O)c(C)c1C=NNC(=O)c1ccccc1	738922464	ISNQKHALELEMFA-UHFFFAOYSA-N	314.345	1.739	50	20	DDGD	
Cc1nc2cc(O)nn2c(C)c1CC(=O)NCC(Cl)Cl	837649615	RXQPBNCHDJODEN-UHFFFAOYSA-N	317.176	1.514	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@H](O)c1cccnc1	731865840	TYRGHWZSCZJSRQ-AWEZNQCLSA-N	319.748	1.159	50	20	DDGD	
CCS(=O)(=O)NCCOC(=O)/C(C#N)=C/c1ccc(C)cc1	731694954	XNCCRUTVXNJTHV-GXDHUFHOSA-N	322.386	1.385	50	20	DDGD	
COCC1CCC(=NNC(=O)[C@@H](C)CN2CCOCC2)CC1	834932235	GLCPTMAPMIIESD-LSLKUGRBSA-N	311.426	1.264	50	20	DDGD	
Cc1nonc1C(=O)NNC(=O)c1cc2c(s1)CCCCC2	735840088	DHWNBNKIZHTKAF-UHFFFAOYSA-N	320.374	1.783	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)COc2ccc(C)c(C)c2)n1	834922958	RKMGQJAZRBGCRS-UHFFFAOYSA-N	315.377	1.752	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)NC1CCC(C(=O)O)CC1	739454091	PNUYFLBJTGFOQJ-UHFFFAOYSA-N	305.334	1.274	50	20	DDGD	
O=C(CCCn1ccnc1)NNc1cccc(Br)n1	837210196	GGVIOUKGOKMBPB-UHFFFAOYSA-N	324.182	1.964	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1[N+](=O)[O-])c1ccncc1	916321957	HXIAYYBYVNCVGE-UHFFFAOYSA-N	314.301	1.909	50	20	DDGD	
CSc1ncc(C(=O)NN(C)C[C@H](C)O)n1-c1ccccc1	910176421	AWLNUJZPMVOLFA-NSHDSACASA-N	320.418	1.552	50	20	DDGD	
CCOC1(CNC(=O)NNC(=O)CC(F)(F)F)CCCC1	838620943	CQVJIFPSUMCYBA-UHFFFAOYSA-N	311.304	1.619	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccnn1CCc1ccccc1	910139188	QEITVIGNRDEQKD-CYBMUJFWSA-N	302.378	1.083	50	20	DDGD	
C[C@@H](c1ccccc1)N1CC[C@@H](NS(=O)(=O)CCl)C1	830160548	DCHPVLPEFYIJCK-WCQYABFASA-N	302.827	1.938	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-]	910149630	HNEYCWDGLYUBAW-ZETCQYMHSA-N	319.720	1.274	50	20	DDGD	
O=C(NNc1c(F)cccc1F)N[C@@H]1C[C@H]2CCCCN2C1=O	838746603	YUEVEGAHXUKXLI-BXKDBHETSA-N	324.331	1.744	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1	910152854	VOHGVYOMSLMLMZ-JQWIXIFHSA-N	315.414	1.024	50	20	DDGD	
CC[C@H](CNC(=O)NNc1ccc(C(=O)OC)cc1F)OC	838597344	LNVNABQKLUCPQZ-SNVBAGLBSA-N	313.329	1.663	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cn1cccn1)c1ccc[nH]1	746102579	BUTASXUFTLABNR-UHFFFAOYSA-N	309.329	1.334	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCN1CCOCC1)c1ccccc1	917361503	IDOWMXSKYRMFJG-HNNXBMFYSA-N	319.405	1.050	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccccn1)n1cnc2ccccc21	915059243	HDPCCMAUSQKCHD-NSHDSACASA-N	309.329	1.454	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccnc(F)c1	745485940	WIGJKDRWHHIJJB-VIFPVBQESA-N	321.283	1.588	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1F	918690052	IHSOBLAXUCSUFQ-UHFFFAOYSA-N	314.342	1.641	50	20	DDGD	
COC[C@H](C)NC(=S)NNC(=O)Cn1ccc2ccccc21	918401280	HXEPFYVWUIIRQU-NSHDSACASA-N	320.418	1.172	50	20	DDGD	
COc1ccc2cc(C(=O)NN(C)C[C@H](C)O)c(C)nc2c1	910179291	JLNNLBFYNAJKHJ-JTQLQIEISA-N	303.362	1.509	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H](C)Oc1ccc(F)cc1Cl	910167848	NYXFQVPDLFPNFD-IUCAKERBSA-N	304.749	1.590	50	20	DDGD	
COC(=O)[C@H](NNC(=O)[C@H]1CCCCO1)c1ccc(F)cc1	842151043	PNNQWCAVCUAPTI-CHWSQXEVSA-N	310.325	1.230	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1cc(F)ccc1SC	745928203	ANQQLHXQDZEDRB-UHFFFAOYSA-N	315.370	1.415	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNc1ccc(F)c(F)c1F	845855155	XIOHIVPUJMHIJU-UHFFFAOYSA-N	303.284	1.709	50	20	DDGD	
CSc1nc(C(C)C)nc(C)c1C(=O)NNC(=O)N(C)C	747370368	DIUISFJTNKESKB-UHFFFAOYSA-N	311.411	1.546	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1	748703554	QVVCITJOCXTYFK-UHFFFAOYSA-N	300.318	1.210	50	20	DDGD	
COCC1(CC(=O)NNC(=O)Cc2c[nH]c3ccccc23)CC1	843755847	OPSUIRSMQNFOIY-UHFFFAOYSA-N	315.373	1.675	50	20	DDGD	
COc1cccc(NNC(=O)NCc2nnc(C3CC3)s2)n1	841591987	YKZIHCFLTTUAGW-UHFFFAOYSA-N	320.378	1.645	50	20	DDGD	
COc1ccc2c(c1)c(C(=O)NN(C)C[C@H](C)O)c(C)n2C	910147911	WFBGQHUNWSVNBJ-JTQLQIEISA-N	305.378	1.453	50	20	DDGD	
CC[C@@H](C)c1nc(C)c(CC(=O)NNc2nc[nH]n2)c(C)n1	848384867	FNLFUCMHWKKOHZ-MRVPVSSYSA-N	303.370	1.411	50	20	DDGD	
Cn1c(=NNC(=O)c2ccc([N+](=O)[O-])[nH]2)sc2ccccc21	918014142	KSQQDNFIZUOMEB-UHFFFAOYSA-N	317.330	1.722	50	20	DDGD	
Cn1nc(C(=O)NN=Cc2ccc(F)cc2)c2ccccc2c1=O	916316368	USPNLPZOMIMAIY-UHFFFAOYSA-N	324.315	1.837	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@@H]2C[C@H](C)O[C@@H]2C)n1	840431665	CNDKEUGMYRDUGB-AXFHLTTASA-N	309.370	1.233	50	20	DDGD	
COc1cc(O)c(C=NNC(=O)[C@@H]2CCO[C@@H]2C)cc1OC	842563314	YLOAYOXPYUFXOK-MWLCHTKSSA-N	308.334	1.285	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)c2cc(Cl)ccc2O)[nH]1	749809861	LFIHWWNQOJBZTA-UHFFFAOYSA-N	307.693	1.836	50	20	DDGD	
CC(Cc1ccccc1C)=NNC(=O)[C@@H](C)CN1CCOCC1	743430465	IXYQDQUJZHQPRW-HNNXBMFYSA-N	317.433	1.998	50	20	DDGD	
CN(NC(=O)NCc1nnn(C(C)(C)C)n1)c1ccccc1	848665939	QKHUJWMEJGPCHU-UHFFFAOYSA-N	303.370	1.279	50	20	DDGD	
NC[C@@H]1CC[C@H](NC(=O)NNC(=O)Cc2ccc(Cl)cc2)C1	842009703	GHHLDTCXQLNZTK-YPMHNXCESA-N	324.812	1.340	50	20	DDGD	
CCn1cc(C(=O)NN(C)[C@@H](C)CO)c(-c2ccccc2)n1	911444310	DCJRZYZMEIRHTM-LBPRGKRZSA-N	302.378	1.527	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)[C@H](C)CN1CCCCC1	916364754	VERPZQXRVGYVEK-GFCCVEGCSA-N	305.426	1.609	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccn(-c2ccccc2Cl)n1	910170076	XPDKUPUSHLWFMG-JTQLQIEISA-N	308.769	1.483	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)[C@@H](C)OCCOC)[C@@H]1CC1(C)C	842190748	NUPCURYOQFDHTM-WOPDTQHZSA-N	315.414	1.193	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNC(=O)CCCc2ccccc2)o1	747403980	XIACWGKPVIGWOV-UHFFFAOYSA-N	315.329	1.162	50	20	DDGD	
C[C@H](CCN)NC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	841967043	JSNGWYFFGFFPNN-SFCYXTAJSA-N	322.453	1.661	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(CC(C)C)c[nH]1	840361693	ZLQUUCWLHNCTBL-UHFFFAOYSA-N	322.409	1.279	50	20	DDGD	
COCCN(Cc1c(C)nn(C)c1C)S(=O)(=O)CCl	841530888	JSALIBRSFLYKOL-UHFFFAOYSA-N	309.819	1.011	50	20	DDGD	
COC[C@@H](NC(=O)NNc1ccc(CC(=O)OC)cc1)C(C)C	845016767	SOISQDOVNPVOMH-CQSZACIVSA-N	323.393	1.699	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])[C@H]1CCc2ncncc2C1	844135347	PQEBHWPATXABEC-VIFPVBQESA-N	314.305	1.028	50	20	DDGD	
CS[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)N=c1cc[nH]cc1	845333046	HOPRLIYLDBJTPF-VXGBXAGGSA-N	323.422	1.513	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@H]1CCCN(CC(C)C)C1	746329297	ZOUBFSDZFOQWBJ-CQSZACIVSA-N	312.458	1.731	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCN(C2CCCCC2)C1	843979060	MBYGJCKGFHURBH-YDHLFZDLSA-N	323.437	1.213	50	20	DDGD	
O=C(NC1CC1)c1cc(F)c(NNC(=O)c2cnco2)c(F)c1	759661680	FPBKCQRECKGLDR-UHFFFAOYSA-N	322.271	1.602	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCOC(C2CC2)(C2CC2)C1	852083598	HXSPDDSNKTYPPH-UHFFFAOYSA-N	309.410	1.664	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C(C)C)sc1Br	758091337	WDSMMQMOSAXKQO-UHFFFAOYSA-N	321.196	1.936	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NOCCN1CCCC1=O	856042480	GJHLMAOOTPJIET-SNVBAGLBSA-N	321.215	1.466	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C[C@H]1CCOc2ccccc21	752169587	WMNZQPHTBZASBT-QWHCGFSZSA-N	306.362	1.706	50	20	DDGD	
NC[C@@H]1OCC[C@@H]1C(=O)NNc1c(Cl)cccc1Cl	852808319	SAZLHHDGMCUBPV-XVKPBYJWSA-N	304.177	1.800	50	20	DDGD	
CCCC[C@@H](C(=O)O[C@H](C)C(=O)NNC(=O)CC)C(C)C	856977998	YRAGIYHLSONCDA-VXGBXAGGSA-N	300.399	1.938	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2C[C@@H]3CCCCN3C2=O)cc1F	854125971	BLSIJVKWSYUTAE-GXTWGEPZSA-N	320.368	1.914	50	20	DDGD	
N#CSCCCNC(=O)C1CCN([C@H]2CCSC2)CC1	854360317	MDZUVMHYKROXMN-ZDUSSCGKSA-N	313.492	1.924	50	20	DDGD	
C[S@](=O)C1(CNC(=O)NNc2c(F)cc(F)cc2F)CC1	922354461	BZKCQZGFYMXPJV-NRFANRHFSA-N	321.324	1.641	50	20	DDGD	
COC(=O)C1(CNC(=O)NNC(=O)c2ccc(C)o2)CCCC1	752379310	GDKOKSJYNWNZQT-UHFFFAOYSA-N	323.349	1.265	50	20	DDGD	
COC(=O)C1(C(=O)NNC(=S)Nc2cccc(C)c2C)CC1	854186844	ZCDCXZOJLAGWAE-UHFFFAOYSA-N	321.402	1.574	50	20	DDGD	
CC(=O)Nc1ccc(NC(=O)NNC(=O)c2ccccn2)cc1	755494523	KWCCGJAHAQSJEV-UHFFFAOYSA-N	313.317	1.507	50	20	DDGD	
CCN1CC[C@@H](NC(=O)NNc2c(F)cc(F)cc2F)C1=O	922385323	YXNLZHXTFZOFBI-SNVBAGLBSA-N	316.283	1.351	50	20	DDGD	
COCC(=O)NNC(=O)Nc1nnc(/C=C/c2ccco2)s1	757819306	NDJZXDYAFWHFDI-SNAWJCMRSA-N	323.334	1.101	50	20	DDGD	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NNC(=O)c1cc[nH]n1	855357529	KIQGQKDVJMHZPZ-WZRBSPASSA-N	308.382	1.545	50	20	DDGD	
CC[C@@H](C)N(CC)CC(=O)NNC(=O)Cc1nc(C)cs1	852293560	OGKMUQZNKGPLCC-LLVKDONJSA-N	312.439	1.262	50	20	DDGD	
COC1CC(C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)C1	858143972	CTABNRAESIUJNU-HSBZDZAISA-N	320.389	1.643	50	20	DDGD	
CCn1ccc(NC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)n1	855557812	KSBZIMGALXJKCV-QPEQYQDCSA-N	308.345	1.967	50	20	DDGD	
O=C(CCC(=O)NC1CCCC1)NNC(=O)c1ccccc1F	755395427	RABYNDVURRRSQX-UHFFFAOYSA-N	321.352	1.426	50	20	DDGD	
Cn1cc(CCCNC(=O)NNc2ncc(Cl)cn2)cn1	856856470	UYXVQTQRDNQTMX-UHFFFAOYSA-N	309.761	1.122	50	20	DDGD	
CN(C)CC(=O)NN=C1CCC[C@H]1Cc1ccccc1[N+](=O)[O-]	753696242	CNIDAVGWIWLBAG-LBPRGKRZSA-N	318.377	1.971	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H](C)[C@H]2CCOC2)c1C	853785569	FISIPHKIGATCLC-RYUDHWBXSA-N	321.377	1.833	50	20	DDGD	
Cc1cc(Cl)ncc1NC(=O)NNC(=O)c1c[nH]nc1C	757721592	VKBDIPGJVHQSPM-UHFFFAOYSA-N	308.729	1.541	50	20	DDGD	
CCOC(=O)C1CCC(=NNC(=O)c2sc(N)nc2C)CC1	750937712	ORPOUNDPFVBZOA-UHFFFAOYSA-N	324.406	1.873	50	20	DDGD	
CCOCCNC(=S)NNC(=O)Cc1c[nH]c2ccccc12	750977192	NQNVZQDMPQMPIV-UHFFFAOYSA-N	320.418	1.242	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@H]1CCCc2c[nH]nc21	856878801	BOHGJWXCPXXJSZ-VIFPVBQESA-N	307.745	1.557	50	20	DDGD	
CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)c1cn[nH]c1	862471849	AWKUMXFLGHXSJQ-CYBMUJFWSA-N	302.334	1.337	50	20	DDGD	
C[C@H](NNC(=O)c1ccc(C(=O)N(C)C)cc1)C(F)(F)F	862312468	MWAMOIHLWFWMBA-QMMMGPOBSA-N	303.284	1.574	50	20	DDGD	
CCCc1cc(NC(=O)C(=O)NNc2cccc(C)n2)n(C)n1	861961319	YQSBSRGTRGHMBD-UHFFFAOYSA-N	316.365	1.158	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC[C@@H](N2CCCC2=O)C1	867182603	WCZUDNKFVFAWOV-LLVKDONJSA-N	322.858	1.278	50	20	DDGD	
CCN(CC)c1ccc(C=NNC(=O)[C@H]2CCC(=O)N2)cc1F	863148671	HVYWQRYIWRZAGO-CYBMUJFWSA-N	320.368	1.401	50	20	DDGD	
COCCOCC(=O)NNC(=O)C(C)(C)c1ccccc1C	869909211	MYORMEOEMAGBAS-UHFFFAOYSA-N	308.378	1.083	50	20	DDGD	
COCCOCC(=O)NNC(=O)[C@H](Cc1ccccc1)C(C)C	869909934	MVDWCGADSYDOAA-OAHLLOKOSA-N	322.405	1.312	50	20	DDGD	
COc1ccc(C(=O)NN=c2cc[nH]cc2Cl)nc1Cl	768453248	XJFRGUTVKRSWCI-UHFFFAOYSA-N	313.144	1.971	50	20	DDGD	
COC/C=C/C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	864517883	NYIWHUJCZNQETO-HMDXOVGESA-N	308.403	1.837	50	20	DDGD	
OB(O)c1cccc(CNCc2cccc(OCC(F)F)c2)c1	863888393	OADBATJCLPAMQB-UHFFFAOYSA-N	321.132	1.300	50	20	DDGD	
C[C@@H](NNC(=O)COc1cccc([N+](=O)[O-])c1)C(F)(F)F	862308143	YSCYHQRVWZOFQU-SSDOTTSWSA-N	307.228	1.545	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)C(=O)NNCC(F)(F)C(F)(F)F	863095887	OJXVJRKNYHTGJD-YFKPBYRVSA-N	314.258	1.948	50	20	DDGD	
C[C@@H](NS(C)(=O)=O)C(=O)NN=CCC[C@H]1C[C@H]2CC[C@H]1C2	768778005	TYWWVWZSIALIMR-NDBYEHHHSA-N	315.439	1.243	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1N1CCC(=NNC(=O)[C@@H]2CCC(=O)N2)CC1	863148855	LODNBFBAVARPJI-SNPRPXQTSA-N	320.437	1.412	50	20	DDGD	
COC1(OC)CCOC[C@H]1NC[C@H](CBr)C1CC1	1119827172	ZABSRZDHIPQEFI-NWDGAFQWSA-N	322.243	1.775	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1cc(F)ccc1Cl	763816019	ADZBIEACDVPLTH-UHFFFAOYSA-N	301.705	1.221	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc2cnn(CCOC)c2c1	769986243	NYFMVDIIELNPLB-UHFFFAOYSA-N	321.337	1.465	50	20	DDGD	
CC1=NO[C@@H](C(=O)NNC(=S)Nc2ccc(C)cc2C)C1	873760322	ALRUETDTRMFDCT-GFCCVEGCSA-N	306.391	1.786	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccc(OC)c(OCCC(C)C)c1	1116189766	XQQZHFXDSILBEG-UHFFFAOYSA-N	322.361	1.743	50	20	DDGD	
CC(C)n1cnc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)c1	1116900816	STNVCXUYECKEHQ-UHFFFAOYSA-N	316.365	1.141	50	20	DDGD	
CN1CCCC[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2)C1=O	873737888	WUVRZXNDUADXOR-GFCCVEGCSA-N	323.780	1.360	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)COC(=O)CC1CCC1	767360060	XBFDUTIOONBUJR-UHFFFAOYSA-N	318.373	1.418	50	20	DDGD	
C=CCOCC(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1	768263260	ONVZBMNXVYHZLB-UHFFFAOYSA-N	306.347	1.102	50	20	DDGD	
COc1ccc(C(=O)NNc2ccn(C)n2)c(OCC2CC2)c1	1117984786	BHZJVTPHELNVBO-UHFFFAOYSA-N	316.361	1.974	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1)C(C)C	770218891	BZANNKVGXCZNBZ-GWCFXTLKSA-N	312.341	1.411	50	20	DDGD	
COC/C=C\C(=O)NNC(=S)Nc1ccc(OC(C)C)cc1	874948419	LNYLLFMSGRXMPO-PLNGDYQASA-N	323.418	1.994	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)Cc1cccc(Cl)c1	772085243	YGJRZVGEGCYHQH-VIFPVBQESA-N	312.753	1.372	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCc1c[nH]c2ccc(OC)cc12	875280680	YBKOSYLGENQMGV-UHFFFAOYSA-N	320.349	1.631	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)C2CCOCC2)c1F	879235869	USDCUUNYNYTVQO-UHFFFAOYSA-N	311.313	1.414	50	20	DDGD	
COc1cccc(NCC(=O)NN=Cc2ccc(F)nc2)c1	777431123	XIWXQCDDRJDFMG-UHFFFAOYSA-N	302.309	1.792	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccnc(OC3CCC3)c2)n1	1116409545	QIUCZICJCIZVOT-UHFFFAOYSA-N	315.333	1.568	50	20	DDGD	
CCCn1cc(C=NNC(=O)c2cccc(N(C)C)c2)nn1	872331455	JERCDCDSTUJHPR-UHFFFAOYSA-N	300.366	1.518	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCCCSC#N)C1	773585201	FMBYSALUEZEDHH-QWHCGFSZSA-N	311.451	1.992	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2coc(CC)n2)nc1C	773641221	ZDPBNVNEJGQCIJ-UHFFFAOYSA-N	319.321	1.269	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc([N+](=O)[O-])cc1F	777887508	CSNTXQRTCRZULO-UHFFFAOYSA-N	324.312	1.489	50	20	DDGD	
COCCCNC(=O)NN=Cc1cn(C)nc1-c1ccccc1	771563998	PFRQXRPQZIYPJZ-UHFFFAOYSA-N	315.377	1.757	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCC(=O)N1CCC[C@H](C)C1	1122492804	ZOSHZPJGSCJPSG-LBPRGKRZSA-N	312.414	1.012	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CC2(CCC2)Oc2ccccc21	779816863	NSBSRJHKSHCPKN-UHFFFAOYSA-N	317.345	1.568	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)[C@H]3CC34CCCC4)nc21	770980270	OICFZBALWCDBCH-SECBINFHSA-N	302.338	1.092	50	20	DDGD	
CCc1ccnc(C(=O)NNc2nc(-c3cccnc3)no2)c1	775536429	FZCIGSMQUPPYFD-UHFFFAOYSA-N	310.317	1.846	50	20	DDGD	
C=Cn1cc(C=NNC(=O)Cn2c(C)nc3ccccc32)cn1	773027742	LOWJWVXLUFHDKU-UHFFFAOYSA-N	308.345	1.792	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H](CF)C1)c1cccc2cccnc12	883462759	ZDJVBBKZEDRQEW-LLVKDONJSA-N	316.336	1.881	50	20	DDGD	
C[C@H](NNC(=O)c1ccc2c(O)ncnc2c1)C(F)(F)F	880167257	PEZPZBKTLGJZRI-LURJTMIESA-N	300.240	1.521	50	20	DDGD	
COC(=O)c1cccc(CC(=O)NNc2ccnc(F)c2)c1	781361976	LXPOBSDGPNSHLU-UHFFFAOYSA-N	303.293	1.693	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cn2cc(C(C)(C)C)nn2)cc1	880993209	QXJGXKBKQOVSTB-UHFFFAOYSA-N	315.377	1.345	50	20	DDGD	
COc1cccc(CNC(=O)COC(=O)/C(C#N)=C\C2CC2)c1	786675198	GNBHXJJQJDTIGN-AUWJEWJLSA-N	314.341	1.715	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2cnc(-c3ccco3)s2)cn1	782232484	QOUCGBZDKUIBKW-UHFFFAOYSA-N	301.331	1.901	50	20	DDGD	
Cn1c(O)nc2ccc(C(=O)NNc3ccnc(F)c3)cc21	781368262	OVDWEVIUTNKWNO-UHFFFAOYSA-N	301.281	1.570	50	20	DDGD	
COCC(=O)NN=Cc1cnn(Cc2ccccc2)c1Cl	789038880	UTBMFTHZNHVYOI-UHFFFAOYSA-N	306.753	1.681	50	20	DDGD	
CC(=O)Nc1ccc(CNC(=O)NNC(=O)C2CCCC2)cn1	789295416	PNTQHRRLAOPNET-UHFFFAOYSA-N	319.365	1.061	50	20	DDGD	
C/C(C=NNC(=O)C(=O)NC(C)C)=C\c1cccc([N+](=O)[O-])c1	787152541	WHPIFDUYKWFTMI-XGOVTQOESA-N	318.333	1.625	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2C[C@]23C(=O)Nc2ccccc23)ncn1	894965301	GUANBWNITKNXOZ-BDJLRTHQSA-N	309.329	1.138	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@H]1CC(=O)N(C2CCCC2)C1	781823769	MTIRCSFGKPAWSZ-VIFPVBQESA-N	323.784	1.364	50	20	DDGD	
COc1cccc(NNC(=O)Cc2ccn(-c3ccccc3)n2)n1	780770540	JQXSWVYZBCCIKT-UHFFFAOYSA-N	323.356	1.962	50	20	DDGD	
CN(C(=O)/C(C#N)=C\c1cc(C(=O)O)nn1C)C1CCCCC1	899356731	RNEREXDCQOMXGU-FLIBITNWSA-N	316.361	1.816	50	20	DDGD	
CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NNC(=O)C1CCCC1	789894842	NUABIUQDZXQVHG-VIFPVBQESA-N	323.315	1.027	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NC[C@@H]1CCCN1CC(F)(F)F	899237451	ZNEBLBWEMUPBNC-HUYFXPKMSA-N	305.300	1.573	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2cc(C)ncn2)c1	780845473	RSTOOFNQIXILFY-UHFFFAOYSA-N	315.333	1.398	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)CCCCc2ccccc2)CC1	897538216	XXDXJWDSQUPUDG-UHFFFAOYSA-N	318.421	1.388	50	20	DDGD	
CC(C)OC(=O)C(C)(C)NC(=O)/C(C#N)=C\c1cnn(C)c1	891317144	IVBNGHQRUPSHBK-SDQBBNPISA-N	304.350	1.173	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCCCC1)c1ccc(O)nn1	790149799	QLMSLQKKAKFHRH-LLVKDONJSA-N	305.382	1.144	50	20	DDGD	
C[C@@H](CBr)CN1CCC(N2CCOCC2)CC1	701979823	YTCRSPYFTMYZFY-LBPRGKRZSA-N	305.260	1.814	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NN=Cc2cn(C)cn2)cc1	794479738	ACFKWBUAYSVWQO-GFCCVEGCSA-N	316.361	1.736	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)c3ccccn3)cc2n1C	792763678	RBCCDNFUZPWTQE-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
CON(CC(=O)NNC(=O)c1cccc(C)c1)CC(C)(C)C	796471306	JLRQKBTWULIUFN-UHFFFAOYSA-N	307.394	1.666	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CCC[C@@H](c2ccnn2C)C1	790291502	WRXODZXLNGIOCO-LLVKDONJSA-N	305.382	1.075	50	20	DDGD	
NS(=O)(=O)c1ccc(C(=O)NNc2ccc(F)cc2)cc1	798317703	ZLYVLGNUBZAZFK-UHFFFAOYSA-N	309.322	1.230	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccn(C3CCCC3)n2)n1	794081282	AQLZJEMDLBAXEL-UHFFFAOYSA-N	313.361	1.776	50	20	DDGD	
Cc1cccn2cc(CC(=O)NNc3nc4ccccn4n3)nc12	791259901	GIAFOWAPBFSYTC-UHFFFAOYSA-N	321.344	1.371	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)CC(F)(F)F)[nH]c1C	799477893	KNFPNONHTFJAEB-UHFFFAOYSA-N	305.256	1.902	50	20	DDGD	
O=C(NNC(=O)c1ccccc1N1CCCC1=O)c1ccc[nH]1	1317732303	QQRICVRVEZRIDQ-UHFFFAOYSA-N	312.329	1.216	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cnc(C(C)C)[nH]2)c1O	1319052939	FSAXBIOMIIHXJU-UHFFFAOYSA-N	318.333	1.322	50	20	DDGD	
CCn1cc(NC(=S)NNC(=O)c2ccc(OC)cc2)cn1	1318141858	VZQLRQCOJIZACP-UHFFFAOYSA-N	319.390	1.543	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccnn2C(C)C)cc1	1319227801	UFTDEEWDKNEYEU-UHFFFAOYSA-N	302.334	1.547	50	20	DDGD	
Cc1csc(C(=O)NN=Cc2c(C)nn(CCO)c2C)c1	1329110339	ITLYAMUFUXFBDM-UHFFFAOYSA-N	306.391	1.626	50	20	DDGD	
CCCC[C@@H](COC)NC(=O)NNc1nncc(N)c1Cl	1322667739	ZZIFTMHRGAOTFV-QMMMGPOBSA-N	316.793	1.544	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1CCCCN1Cc1cccc(C)c1	1326749889	LINBWACDALDACR-KRWDZBQOSA-N	319.449	1.959	50	20	DDGD	
CC[C@H](CSC)NC(=O)NNc1nncc(N)c1Cl	1323424959	CZCLTTFASYYDGR-ZCFIWIBFSA-N	304.807	1.480	50	20	DDGD	
Cc1ncc(NC(=O)NNC(=O)c2ccccc2Cl)cn1	1320411774	UMDOPOXOUCKKSS-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)[C@@H]1CCc2nnc(O)n2C1	1338950510	PPAZPTBYWQPQIW-SECBINFHSA-N	305.313	1.137	50	20	DDGD	
C=C[C@@](C)(CCOC)C(=O)NN(C)C(=S)NCCCOC	1333781220	YPHQVAGYMPABLY-AWEZNQCLSA-N	317.455	1.089	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)C2CCOCC2)[C@@H](C)C1	1333216590	YHMZYSAVDCWQRX-WCQYABFASA-N	310.394	1.885	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CO[C@H]2CCOC2)cc1C	1330184672	UFSBCZRNORBHSF-ZDUSSCGKSA-N	323.418	1.427	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@@H]2CCCCN2C)cc1	1346653307	SMGUHBWGDOCVSE-ZDUSSCGKSA-N	320.393	1.124	50	20	DDGD	
CC1(C)[C@@H]2CC[C@@]1(C(=O)NNC(=O)NC1CCCC1)C(=O)C2	1347518634	TYVLESRZGMCIQM-HWPZZCPQSA-N	307.394	1.655	50	20	DDGD	
Nc1cc(C(=O)NNc2ccc(F)c(C(=O)O)c2)cc(Cl)n1	1601212326	IHLZZLKXJSOHTI-UHFFFAOYSA-N	324.699	1.911	50	20	DDGD	
C[C@@](O)(C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1)C1CC1	1603690006	FWXNLDZKEQDABL-ZDUSSCGKSA-N	322.756	1.124	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2cccc(-c3nn[nH]n3)c2)cn1	1539570269	VRSPKUISPLGAOC-LFYBBSHMSA-N	320.316	1.146	50	20	DDGD	
Cc1ccc(CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)o1	1605853324	IDMSNRJZKAODFT-UHFFFAOYSA-N	313.321	1.594	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)OC(C)C)cc(C)c1OCC(=O)O	1600095054	AMDUVMCRXDLOMG-UHFFFAOYSA-N	324.333	1.546	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cccc(CC(=O)O)c2)n1	1607839746	VZESBMDMFQAGDF-UHFFFAOYSA-N	313.313	1.092	50	20	DDGD	
COC1(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)CCCC1	1605015515	CFVZSYHTLUJHKO-UHFFFAOYSA-N	314.349	1.542	50	20	DDGD	
O=C(O)C12CC(C(=O)NNc3ccc(C(F)(F)F)cn3)(C1)C2	1610730272	JMGBXANRPRZOQO-UHFFFAOYSA-N	315.251	1.798	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@]1(CC(=O)O)CCOC1	1610618904	OCTYOTSGXNFTNT-FGLWMGOFSA-N	316.313	1.049	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1cnccc1C	1549322419	YZPREHVNOYRZNB-UKRRQHHQSA-N	302.378	1.093	50	20	DDGD	
Cc1nc(C)c(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)s1	1549318785	RDOPKMCEWCYLCY-VXGBXAGGSA-N	308.407	1.073	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C=NNC(=O)c1ccon1	1553287881	ORVKRQMPTKPVJO-CMPLNLGQSA-N	303.322	1.292	50	20	DDGD	
CN1CC[C@H](C(=O)NNC(=O)CCCCCN)c2ccccc21	1578523800	PHTXTHYLNAAGRT-AWEZNQCLSA-N	318.421	1.277	50	20	DDGD	
C=C(Cl)C[C@@H](N)C(=O)NNc1nc(-c2ccccc2)no1	1574856656	DRAIBMKBFDNXPO-SNVBAGLBSA-N	307.741	1.650	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@H](C(=O)O)C(C)C	1574081635	JJMZXJIAVCKHAZ-SNVBAGLBSA-N	312.297	1.412	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1CCN[C@@H]([C@@H]2CCCO2)C1	1575231281	MSNIFNOUMSAYAV-UTUOFQBUSA-N	313.398	1.090	50	20	DDGD	
C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)NNc1cccc(F)c1F	1576907344	MAXCHARYQNIVDR-LDYMZIIASA-N	314.336	1.704	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)CCCc1ccccc1)[C@@H](C)N	1575414683	QSAZKYVLKMYBHB-CJNGLKHVSA-N	305.422	1.776	50	20	DDGD	
O=C(NNC(=O)[C@@H]1NCC[C@@H]2CCCC[C@@H]21)NC1CCCCC1	1580735722	DMKGRXNQPDZKRG-AEGPPILISA-N	322.453	1.818	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)C12CCC(CC1)N2	1580570975	GNJSRTCSIRAMND-UHFFFAOYSA-N	323.396	1.814	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNc1cc(F)ccc1F)C(=O)O	1588825045	LHZIQHKVINOHHN-SECBINFHSA-N	301.293	1.948	50	20	DDGD	
C#CCCCCC(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1846488359	CBQRMJDPGQUCRV-ZDUSSCGKSA-N	314.788	1.918	50	20	DDGD	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNc1ccc(-c2ccccc2)nn1	1594228101	HQDKGCVTFFBXFH-HWPZZCPQSA-N	312.329	1.698	50	20	DDGD	
O=C(O)CC[C@@H]1C[C@H](C(=O)NNc2ncc(F)cc2F)CO1	1595006918	XCRGUGXPMDLHMX-IONNQARKSA-N	315.276	1.073	50	20	DDGD	
N#C/C=C\Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Cl)ccc21	1592671970	UTGZAAVBIXPQTC-UPHRSURJSA-N	312.720	1.915	50	20	DDGD	
C[C@@H]1SCC[C@H]1NC(=O)NNc1cccc(-c2nn[nH]n2)c1	1590334857	CACNHNWOQHSHPG-GZMMTYOYSA-N	319.394	1.387	50	20	DDGD	
C[C@H](c1nc(C(=O)O)co1)N1C[C@H]2[C@H](Br)[C@H]2C1	1593730820	VFFPVSKCOMQTLB-JAKMQLQISA-N	301.140	1.759	50	20	DDGD	
CC/C=C(\F)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	1590535551	YKYYEYYJAKGLEG-CLTKARDFSA-N	311.708	1.622	50	20	DDGD	
COc1cccc(C(=O)NNc2ccc(CC(=O)O)cc2)n1	1599642466	OFZQSPPEBBDPRQ-UHFFFAOYSA-N	301.302	1.474	50	20	DDGD	
Nc1cc(F)ccc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1592760089	RHJBUXOHPRSRBK-UHFFFAOYSA-N	313.296	1.345	50	20	DDGD	
Cn1cc(C(=O)O)cc1C=NNC(=O)c1c[nH]c2ccccc12	1776019076	AGGNSZGVMGSRSY-UHFFFAOYSA-N	310.313	1.969	50	20	DDGD	
Cc1c(C(=O)O)oc2c1C(=NNC(=O)c1cccnn1)CCC2	1776103525	NRCBJYPJQJUANP-UHFFFAOYSA-N	314.301	1.547	50	20	DDGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1c(C(=O)O)cnn1C	1776118229	WUABQTCVDFPUJZ-YRNVUSSQSA-N	310.313	1.972	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)Cn2nc(C)cc2C)c1	11561461	VLVLGJIAVWJITE-UHFFFAOYSA-N	317.349	1.361	50	20	DDGD	
O=C(COc1ccccc1O)NNc1cnc2ccccc2n1	163594424	FAQLLINDCSFXEK-UHFFFAOYSA-N	310.313	1.858	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@@H](C)CN2CCCCC2)nc1	157505933	ZVLQOIDAPGFWPO-CYBMUJFWSA-N	321.425	1.838	50	20	DDGD	
O=C(CNc1ccccc1[N+](=O)[O-])NNc1ncc(F)cn1	157788005	CFWXAAKZXCYCHF-UHFFFAOYSA-N	306.257	1.079	50	20	DDGD	
CC(C)NC(=O)N1CCC[C@H]1C(=O)NNc1cccc(F)c1	154842478	PYERZYBJEWMOGL-ZDUSSCGKSA-N	308.357	1.851	50	20	DDGD	
CC1(C)CN(S(=O)(=O)c2ccc(CCCl)cc2)C[C@@H]1O	388039922	MRGUUPWMKVUWMH-ZDUSSCGKSA-N	317.838	1.859	50	20	DDGD	
CSSCCNC(=O)C(C)(C)NC(=O)C(F)(F)F	791156078	YNLJIYJYCAZROM-UHFFFAOYSA-N	304.359	1.571	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)Cc1cccs1	432997	WRKJILMRMHEZRB-UHFFFAOYSA-N	320.370	1.526	50	20	DDGD	
N#Cc1cccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)c1	3510194	OKZNLGYCFPIJLN-UHFFFAOYSA-N	323.308	1.176	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CCc1c(C)noc1C	7525609	XFTGXEACOANSFZ-UHFFFAOYSA-N	301.346	1.994	50	20	DDGD	
C=C(C)CN1CCC(NC(=O)NNC(=O)c2ccc(C)o2)CC1	177289923	KBGHSISJMNSTRH-UHFFFAOYSA-N	320.393	1.573	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc2ccc(Cl)cc2[nH]1	109860549	MXCPOGZBJVTCMR-UHFFFAOYSA-N	317.736	1.928	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCC[S@@](=O)C(C)(C)C)n1	116966310	LCJRQOMWFGPSBU-NRFANRHFSA-N	313.427	1.267	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc(Cl)nc(Cl)c1	110758900	ADIKOTOHKRCSAW-UHFFFAOYSA-N	314.132	1.495	50	20	DDGD	
Cc1cccc(OCC(=O)NN[C@@H](C(N)=O)c2ccccc2)c1	26223935	LUSGVMJPSAZHGS-MRXNPFEDSA-N	313.357	1.221	50	20	DDGD	
O=C(NCc1ccccc1)NNC(=O)c1cccc([N+](=O)[O-])c1	25104130	OOAXOCPUKVFBSM-UHFFFAOYSA-N	314.301	1.739	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)nc1	107536015	SPJQMUJLEBPRRH-UHFFFAOYSA-N	319.324	1.438	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F	113459756	DHRFMKXEPXUUNZ-WDEREUQCSA-N	311.357	1.750	50	20	DDGD	
Cc1[nH]c(-c2ccccn2)n/c(=N/NC(=O)c2ncoc2C)c1C	114892472	ATKPPUXDLVEDLU-UHFFFAOYSA-N	324.344	1.631	50	20	DDGD	
COCCC(=O)NNC(=O)c1cc(-c2ccc(C)cc2)n[nH]1	170726440	FGGFUSCTSIYAIS-UHFFFAOYSA-N	302.334	1.183	50	20	DDGD	
Cc1ccc(NNC(=O)NCCOc2cccc(F)c2)nn1	171553897	OGFBXTCLMIXNKS-UHFFFAOYSA-N	305.313	1.629	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1	65190612	XWYIYBRGBVCPAB-UHFFFAOYSA-N	308.319	1.773	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cc(OC)ccc1Cl	112266339	BRAYVOCXTVTTNG-MRVPVSSYSA-N	320.798	1.704	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2ccccc2F)cn1	170699028	BHSPWIPTMNMOER-UHFFFAOYSA-N	320.349	1.861	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C[C@H]1OCCc2ccccc21	115320465	ZMYDBARILGPSJC-OAHLLOKOSA-N	313.357	1.490	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2ccc(C)cc2C)nc1	124299290	XZHSHOJMBUIXMU-UHFFFAOYSA-N	314.345	1.789	50	20	DDGD	
NC(=O)c1cccc(NC(=O)NNC(=O)CC2CCCC2)c1	183308414	AQZCYXUHBXPQND-UHFFFAOYSA-N	304.350	1.519	50	20	DDGD	
O=C(CC(F)(F)F)NNc1nnc(-c2ccccn2)s1	188247955	MQCHXFNSGQYHCY-UHFFFAOYSA-N	303.269	1.996	50	20	DDGD	
CC(=O)N1CCC[C@H]1C(=O)NNc1cc(F)c(F)cc1F	127941172	FXOWOBCZNVLTGN-LBPRGKRZSA-N	301.268	1.558	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)c1cccs1	78554252	DIQLSDUIIDGXLD-UHFFFAOYSA-N	300.343	1.400	50	20	DDGD	
O=C(NNc1ncccn1)c1ccn(-c2ccc(F)cc2F)n1	184700232	OWFTVSFALIPILE-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
CCOc1cccc(NC(=O)NNC(=O)Cc2ccncc2)c1	184464226	VDLAEZOTAGQHNQ-UHFFFAOYSA-N	314.345	1.876	50	20	DDGD	
CN(NC(=O)c1cccnc1Sc1ccccc1)C(N)=O	182662798	QRSOYNAGFWGIEH-UHFFFAOYSA-N	302.359	1.888	50	20	DDGD	
COc1ccc(F)cc1CC(=O)NNC(=O)Cc1ccncc1	186661377	VPTITZJAGYNSHM-UHFFFAOYSA-N	317.320	1.162	50	20	DDGD	
CCO[C@@H](C)C(=O)NNC(=O)c1ccc(Br)s1	78330236	OMAQSVFMSADOEZ-LURJTMIESA-N	321.196	1.697	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)c1ccc(C)o1)c1ccc(C)o1	84455440	QRDRTUBQWRCKIY-NSHDSACASA-N	321.333	1.821	50	20	DDGD	
N#Cc1csc(C(=O)NNC(=O)CCc2ccccc2O)c1	84389662	KASPPATTZGDLFN-UHFFFAOYSA-N	315.354	1.719	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cccc(Cl)c1F	48654621	NHOFWLQQFUTADY-ZETCQYMHSA-N	308.762	1.835	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1ccc(C)o1	84373659	AATJBFSBWNGJJA-LLVKDONJSA-N	307.350	1.140	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N[C@@H](C)C1CC1	43633253	YKHOHZDSZCVYQX-VIFPVBQESA-N	301.350	1.385	50	20	DDGD	
CCCCN1CCC(NC(=O)NNC(=O)c2ccc(C)o2)CC1	84435538	KCTQBZNIVULXHU-UHFFFAOYSA-N	322.409	1.797	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc[nH]2)c(-c2ccccc2)n1	90822695	GXIBMHNAKUMNAB-UHFFFAOYSA-N	309.329	1.490	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc2ccc(C)cc2[nH]1	91821618	JWZJVNWPJDIBNC-UHFFFAOYSA-N	322.459	1.948	50	20	DDGD	
O=C(NNc1cnccn1)Nc1ccnn1Cc1ccccn1	93366039	ZUQGSLNQDYUJFD-UHFFFAOYSA-N	310.321	1.265	50	20	DDGD	
CC(C)(C)c1noc(CCCC(=O)NNC(=O)c2ccc[nH]2)n1	97285694	PNCKILVTSMHADZ-UHFFFAOYSA-N	319.365	1.479	50	20	DDGD	
C=CCN1C(=O)C(=NNC(=O)c2ccccn2)c2ccccc21	254490448	XWZXCYAWULMLQE-UHFFFAOYSA-N	306.325	1.748	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCC2CCOCC2)cc(C#N)n1C	255496796	ATSOESAQIGDIAN-CHHVJCJISA-N	312.373	1.655	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cccc2c1O[C@@H](C)C(=O)N2	264286335	OYDYBEIGGQIAKN-VIFPVBQESA-N	305.334	1.213	50	20	DDGD	
C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NNc1ncccn1	266921557	IJXPGVUNHXDDIJ-SNVBAGLBSA-N	309.370	1.423	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C2(C#N)CCC2)cc1OC	265432610	GUVXXWUXLXWKOT-UHFFFAOYSA-N	317.345	1.549	50	20	DDGD	
CCS(=O)(=O)C[C@H](C)NC(=O)NNc1ccc(Cl)nc1	266801182	MYGUNVNJEZBIOE-QMMMGPOBSA-N	320.802	1.184	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)COc1cccc(C)c1	265744500	WZQDHDBPEVDGGE-UHFFFAOYSA-N	303.318	1.385	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCCOCCOC)cc1	264101246	FPTMZVADIYRKQP-UHFFFAOYSA-N	323.393	1.246	50	20	DDGD	
COc1ccnc(NNC(=O)Cc2csc(C(C)(C)C)n2)n1	263854162	ZLYXRRIFQFJTOK-UHFFFAOYSA-N	321.406	1.925	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CC[S@](=O)[C@@H](C)[C@@H]1C	265655823	YNZUKIJLAXAAMV-IBILFNBTSA-N	323.418	1.191	50	20	DDGD	
CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)NNC(=O)c1ccccc1O	265916940	CMBDTUWNYBFVGR-UHTWSYAYSA-N	319.361	1.150	50	20	DDGD	
COCC(C)(C)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)OC)c1	270347608	PDGROHRFRDHOTJ-UHFFFAOYSA-N	311.290	1.959	50	20	DDGD	
CN1CCN(S(=O)(=O)CBr)c2cc(F)ccc21	272782502	HWKGASXJRZITDX-UHFFFAOYSA-N	323.187	1.764	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)COc1cc(C)cc(C)c1)C(=O)OC	276689101	MNDAMQVWAYOKLO-CYBMUJFWSA-N	322.361	1.029	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNC(=O)NCc1ccco1	276882188	RMTMHDYXSLGOIM-UHFFFAOYSA-N	318.333	1.526	50	20	DDGD	
N#CC1=CCN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)CC1	272704314	WUIZQPVCRVUFOY-UHFFFAOYSA-N	321.402	1.720	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1ccc(C(F)(F)F)nn1	270027102	FXRZIQSEBYSMKE-UHFFFAOYSA-N	321.259	1.075	50	20	DDGD	
COC(=O)NNC(=O)c1ccccc1S[C@H](C)C(=O)OC	274322836	XRVITCLQVQCKFZ-MRVPVSSYSA-N	312.347	1.341	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@@H](NC(=O)NNc2nc(C)cc(C)n2)C1(C)C	271761296	BHKXRFOMFJTVHT-IJLUTSLNSA-N	307.398	1.779	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@H](C)c1ncnn1C	276827543	DSCQMKYJWBRTGY-SNVBAGLBSA-N	317.353	1.220	50	20	DDGD	
C=C(C)[C@H](CC(=O)NNC(=O)COc1ccc(F)cc1)OCC	270119315	LPLPHCXNPJIPBB-AWEZNQCLSA-N	324.352	1.723	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](C2CC2)C(F)(F)F)o1	288469140	UEUFMWSRNMRSQI-SECBINFHSA-N	305.256	1.873	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2snnc2C2CC2)n1	289979432	GJKRXNVVBZSALY-UHFFFAOYSA-N	310.770	1.924	50	20	DDGD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)Cc1ccccc1F	280493837	KIESMMHIYSNFRA-MNOVXSKESA-N	306.337	1.521	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2ncccc2N(C)C)o1	290906858	IKBDZGRSEBJQJD-UHFFFAOYSA-N	317.349	1.193	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2cncs2)c1	807246349	LLCMZDOZYLQLGS-UHFFFAOYSA-N	305.359	1.600	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cccnc2C)cc1	802062163	CXKXVDGOWBVMBF-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
Cc1cc2c(cc1C)O[C@@H](C(=O)NNC(=O)[C@@H]1CCCCO1)C2	295639415	TXOAJAUKGQYQKG-DZGCQCFKSA-N	318.373	1.323	50	20	DDGD	
O=C(NNc1ncccc1F)C1CCC(NC(=O)C2CC2)CC1	804219130	CCJOFSTZHHEKHI-UHFFFAOYSA-N	320.368	1.749	50	20	DDGD	
Cc1c(CC(=O)NNc2cc(C(F)(F)F)ccn2)cnn1C	295336638	MGHZSUMFCMEXFQ-UHFFFAOYSA-N	313.283	1.828	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCCCCN2CCCC2)n1	296884832	LZYNNKOKEZDBJA-UHFFFAOYSA-N	320.441	1.986	50	20	DDGD	
O=C(NNc1c(F)cccc1F)c1cncc(-n2ccnn2)c1	801929740	UEDVNJYUYMCDSV-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)N[C@H]1CCN2CCCC[C@@H]12	298699457	CVQAAGNMGBBROY-KBPBESRZSA-N	319.365	1.848	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCc1ccc2c[nH]nc2c1	807243353	QFRZZQAIBGXAQC-UHFFFAOYSA-N	303.366	1.482	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1	291774005	HOSIXVKSSZYNGW-HVCHUGMYSA-N	305.353	1.989	50	20	DDGD	
O=C(NNC(=O)c1ncn(-c2ccccc2)n1)Nc1ccccc1	801992871	HMBZGYQPZDYLGB-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
CCCCCNC(=O)/C(C#N)=C/c1cn(C)nc1C(=O)OCC	291881517	IOXBDKIRXCIGDG-FMIVXFBMSA-N	318.377	1.810	50	20	DDGD	
CC(C)(O)CCNC(=O)NNC(=O)Nc1cccc(Cl)c1	296707056	FGRCLOPITRARJH-UHFFFAOYSA-N	314.773	1.837	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(COCCOC)cc1	292001242	WZOQDTASHLEXFQ-UHFFFAOYSA-N	323.418	1.145	50	20	DDGD	
COC(=O)c1cccc(CC(=O)NN(C)C(=O)OC(C)(C)C)c1	297808269	WPHGLRPGBJPJTP-UHFFFAOYSA-N	322.361	1.914	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802095473	GIGIBIJYANGMAO-SNVBAGLBSA-N	323.349	1.631	50	20	DDGD	
O=C(CCCOc1ccc(F)cc1)NNC(=O)[C@@H]1CCCCO1	295579801	OGFCXTSWHXRIFH-AWEZNQCLSA-N	324.352	1.701	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)CCc2cccc(Cl)c2)CC1	807383356	VXQOQWIGSPVKTR-UHFFFAOYSA-N	324.812	1.261	50	20	DDGD	
CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NNc1ccncn1	295536376	RWAIFDFRLAQMPN-SNVBAGLBSA-N	323.422	1.257	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2nc3ccccn3n2)c2ccccc21	803185924	FCNGRBHHSNTPRL-CYBMUJFWSA-N	321.340	1.933	50	20	DDGD	
Cc1cc(=O)cc(C)n1CCCC(=O)NNc1ncccn1	810058725	XRBRNHLVHXPAHF-UHFFFAOYSA-N	301.350	1.179	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)c1cc(=O)c(OC)co1	816337226	LPYKCMZYARSKMC-UHFFFAOYSA-N	308.265	1.553	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)c2c[nH]c3ccccc23)cn1	814699119	IKRRYRDBHRETMO-UHFFFAOYSA-N	308.345	1.788	50	20	DDGD	
Cn1c(NNC(=O)c2ccc(C#N)o2)nc2ccccc2c1=O	815603568	KCUMRHCJJKMMMS-UHFFFAOYSA-N	309.285	1.155	50	20	DDGD	
CC[C@@](O)(C(=O)NN(C)CCOC)c1cccc(Cl)c1	816562426	LAQZWOQYSWJTFC-AWEZNQCLSA-N	300.786	1.547	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@H]1CCO[C@@H](C)C1	819710272	DPHGOBAMWNUBKH-UWVGGRQHSA-N	310.325	1.871	50	20	DDGD	
CCCS(=O)(=O)Nc1ccc(C(=O)NN(C)C2CC2)cc1	819647736	QQIPUCNAHNZTRX-UHFFFAOYSA-N	311.407	1.577	50	20	DDGD	
Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NN(C)C1CC1	819643891	STKOEEAPJGNGBP-UHFFFAOYSA-N	323.418	1.175	50	20	DDGD	
CN(NC(=O)[C@H](CCS(C)(=O)=O)c1ccccc1)C1CC1	819651532	OCRVMOKEDKXLRD-CQSZACIVSA-N	310.419	1.330	50	20	DDGD	
CCc1ccc(C#CC(=O)NNc2nc3ccccn3n2)cc1	816467830	OQORUQLZIDSBPD-UHFFFAOYSA-N	305.341	1.787	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2cccc(Cl)c2F)n[nH]1	810584421	SCWNAPZNAIFDNV-UHFFFAOYSA-N	310.716	1.514	50	20	DDGD	
NC(=O)C(=O)NN=C1CCCc2sc(Br)cc21	814695433	BFWBTNSOSOJCGX-UHFFFAOYSA-N	316.180	1.153	50	20	DDGD	
CNC(=O)c1ccc(C(=O)NNc2ccc(F)c(F)c2F)cn1	728714501	WFYAUWVDSJNFCQ-UHFFFAOYSA-N	324.262	1.615	50	20	DDGD	
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NN(CC)CCO	823873989	JYCUPCCLEHLIBI-CYBMUJFWSA-N	309.366	1.509	50	20	DDGD	
CN1Cc2ccccc2[C@@H](NC(=O)/C(C#N)=C/c2cnn(C)c2)C1	827783554	MYLIWWGISGMZAK-QRMGNNRRSA-N	321.384	1.630	50	20	DDGD	
CC(=O)CCc1ccc(O[C@H](C)C(=O)NN(C)[C@@H](C)CO)cc1	823965698	SPFXUKCKEHXALF-GXTWGEPZSA-N	322.405	1.319	50	20	DDGD	
COc1cccc(-c2nc(C)c(C(=O)NN(C)[C@H](C)CO)[nH]2)c1	823939278	IESSWHUYQAFBHF-SNVBAGLBSA-N	318.377	1.351	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CC(OC(F)F)C2)cc(C#N)n1C	491100247	ADZYNLVOYABAHS-JYOAFUTRSA-N	320.299	1.562	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CC=CCC1	823912333	CHJIADPUUTVWHS-MLGOLLRUSA-N	312.410	1.398	50	20	DDGD	
C[C@@H](C(=O)NN(C)[C@H](C)CO)c1cccc(Br)c1	823921713	ANTMEIYXRINVRW-NXEZZACHSA-N	315.211	1.896	50	20	DDGD	
C=CCOCC(=O)NNC(=O)c1ccc(OCCC)c(OC)c1	729300123	ZGJSZSSGRJLENL-UHFFFAOYSA-N	322.361	1.448	50	20	DDGD	
CC(=O)NNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O	496892318	KDMSWPBUJYPVRF-UHFFFAOYSA-N	309.322	1.520	50	20	DDGD	
COCCN(CC(=O)NNc1ccccn1)C(=O)OC(C)(C)C	494726530	PDKFPLPAKDOQLO-UHFFFAOYSA-N	324.381	1.408	50	20	DDGD	
O=C(CSCC(=O)c1ccccc1)NNC(=O)NCC1CC1	726939632	KQQDZWWUUQAPLC-UHFFFAOYSA-N	321.402	1.343	50	20	DDGD	
CC(C)[C@@H](CNCc1ccccc1B(O)O)Nc1ccccc1	585015184	RXTVYMKJEHTKLN-GOSISDBHSA-N	312.222	1.593	50	20	DDGD	
O=C(N[C@H](Cc1ccccc1)C1CC1)c1ccc(B(O)O)cc1	584951611	XQSFTJWQVMRLFX-QGZVFWFLSA-N	309.174	1.118	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@H]1CC(C)=NO1	820121697	LHKMFHMNIBNQCE-LLVKDONJSA-N	311.725	1.274	50	20	DDGD	
COc1ncc(/C=C/C(=O)NNc2c(F)cccc2F)cn1	492648757	LNCIXTJEKBPZPN-AATRIKPKSA-N	306.272	1.920	50	20	DDGD	
COC(=O)N(C)NC(=O)C1(c2ccc(OC)c(OC)c2)CCC1	495822414	GWPNJWOEJXIWLT-UHFFFAOYSA-N	322.361	1.855	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cn2ccccc2n1	826449439	SMZZBDPCGMXNEW-UHFFFAOYSA-N	320.316	1.271	50	20	DDGD	
COc1ccc2c(c1)CCC[C@H]2NCc1ccc(B(O)O)o1	585019873	SZVAIZIZZXRNCH-OAHLLOKOSA-N	301.151	1.135	50	20	DDGD	
COCCn1c(C)cc(C=NNC(=O)Cc2cccnc2)c1C	728786076	VIDBDISBZWVGIZ-UHFFFAOYSA-N	314.389	1.839	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H]1C[C@H]1c1cc(OC)ccc1OC	492751248	XKXCLNYVHCFAIN-JQWIXIFHSA-N	308.334	1.585	50	20	DDGD	
CC(C)[C@H](CNCc1ccc(B(O)O)cc1F)c1cccnc1	585026768	RURURTGFVHJYIT-INIZCTEOSA-N	316.185	1.430	50	20	DDGD	
Cc1cccc2cc(C(=O)NNC(=O)C(C)(C)O)c(Cl)nc12	907625400	IXCSTDQYYLBJIA-UHFFFAOYSA-N	321.764	1.729	50	20	DDGD	
C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(B(O)O)cc1	584990933	OTSTVSQRKLGUDT-HBUWYVDXSA-N	323.201	1.773	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)Cc1c(F)cccc1Cl	731848201	BPTVEZIMIQYBMM-SECBINFHSA-N	315.776	1.857	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H]1CCn2ccnc2C1	491175564	LMLHSVZLIYPDFX-KADHNRKRSA-N	308.341	1.627	50	20	DDGD	
O=C(N[C@H]1C[C@@H]2CCCc3cccc1c32)c1cccc(B(O)O)c1	584969593	OCIBFEINHSSYHP-GUYCJALGSA-N	321.185	1.661	50	20	DDGD	
CN(NS(=O)(=O)CC[C@@H]1CCOC1)C(=O)OC(C)(C)C	496409584	GHNYYDDFSIOIFU-JTQLQIEISA-N	308.400	1.114	50	20	DDGD	
CC(C)(C)N1C[C@@H](NC(=O)[C@@]2(C)C[C@@H]2Br)CC1=O	906879355	VGRRKEWGDVOHIB-RVBZMBCESA-N	317.227	1.676	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CCC[C@@H]1C(C)(C)C	826973990	HHAZFEPJOVWLJF-ZDEQEGDKSA-N	311.426	1.957	50	20	DDGD	
CCOC(=O)[C@@H](CCc1ccccc1)NNC(=O)c1cn[nH]c1	901570300	KJLPAJVGYZHNHG-CQSZACIVSA-N	316.361	1.209	50	20	DDGD	
C[C@@]1(C(=O)NCCNc2ccc(C#N)cn2)C[C@@H]1Br	906066076	IMBRESNURRMAJX-GXFFZTMASA-N	323.194	1.655	50	20	DDGD	
CC(C)N1C[C@H](NC(=O)[C@]2(C)C[C@@H]2Br)CC1=O	906501629	LHZZYFFZCVWBCA-VDDIYKPWSA-N	303.200	1.285	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1C(=O)NNc1ccccc1C(=O)OC	907221150	OVJCIEFTBLTDNY-TZMCWYRMSA-N	304.346	1.898	50	20	DDGD	
COC(=O)NCCC(=O)NNc1ncnc(Cl)c1C(C)C	496812790	UTINKULCGVLDKS-UHFFFAOYSA-N	315.761	1.443	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CCOC[C@H]1CCCO1	731492920	LUFJKGNQUQXKAS-GFCCVEGCSA-N	322.361	1.042	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@@H]2COC[C@@H]21	839453888	WDVRRZIKBWJZBG-OLZOCXBDSA-N	311.813	1.990	50	20	DDGD	
CC(=O)N[C@@H](CC(=O)NNc1cc(C)ncn1)c1cccs1	734253726	YYXZNNOKNOEYJP-NSHDSACASA-N	319.390	1.557	50	20	DDGD	
CC(C)(CC(=O)c1ccccc1)CC(=O)N1CC[C@H](B(O)O)C1	585064685	IPZDZNCXYIFJAI-AWEZNQCLSA-N	317.194	1.751	50	20	DDGD	
Cc1ccc2c(c1)C(=NNC(=O)COCc1ccccc1)C(=O)N2	737438805	JJHLNQIZFXJUAQ-UHFFFAOYSA-N	323.352	1.984	50	20	DDGD	
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NNC(=O)c1ccccc1F	905090216	SNVAJQXJCXKZMF-WDEREUQCSA-N	322.336	1.566	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cnc(NC2CC2)s1	907605019	RYRZXEKIDQMBHE-UHFFFAOYSA-N	310.770	1.918	50	20	DDGD	
Cc1nnc(CC(=O)NNC(=O)Cc2ccccc2C)s1	830331931	MKMIQMZWLBLPMU-UHFFFAOYSA-N	304.375	1.088	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](C)C(=O)OC(C)C	837026556	CQVLFBWYVAGECT-JTQLQIEISA-N	315.801	1.809	50	20	DDGD	
COCC1(CNC(=O)[C@]2(C)C[C@@H]2Br)CCOCC1	908339940	HJQCOYZLSUZLMR-CMPLNLGQSA-N	320.227	1.719	50	20	DDGD	
O=C(NC[C@@H]1[C@H]2CCc3ccccc3[C@@H]21)c1ccc(B(O)O)cc1	584964165	IGXFFMAFGHEXSS-KURKYZTESA-N	321.185	1.072	50	20	DDGD	
CC(C)C[C@@H]1C[C@@H](NCc2ccc(B(O)O)cc2F)CCO1	585032838	NUQNOZCTLAFBMG-LSDHHAIUSA-N	309.190	1.189	50	20	DDGD	
C[C@@]1(C(=O)NCC2(CS(C)(=O)=O)CC2)C[C@H]1Br	906903273	QPCVFHZWKBZUGW-PSASIEDQSA-N	324.240	1.101	50	20	DDGD	
CC(C)c1ccnc(N2CCN(S(=O)(=O)CCl)CC2)n1	831121900	WZPCHOKMHPKHHG-UHFFFAOYSA-N	318.830	1.248	50	20	DDGD	
CCOc1ccc(NNC(=O)NCc2nc(N(C)C)no2)cc1	838585899	RGFQTISEZVYAJU-UHFFFAOYSA-N	320.353	1.361	50	20	DDGD	
CCC(CC)[C@H]1C[C@H](NCc2ccc(B(O)O)cc2F)CCO1	585034778	UDDGMWOBZUZNFC-NVXWUHKLSA-N	323.217	1.579	50	20	DDGD	
COc1ccc(OC)c2c1CN(S(=O)(=O)CCl)C[C@@H]2O	830599214	JZGZPIJWRCEIMK-VIFPVBQESA-N	321.782	1.079	50	20	DDGD	
CCC[C@@H](NC(=O)NNC(=O)C(=O)N1CCCC1)C1CCCC1	838778214	KKOOWFFSDBDLTB-CYBMUJFWSA-N	324.425	1.298	50	20	DDGD	
Cc1cc(O[C@@H](C)C(=O)N2CC[C@H](B(O)O)C2)ccc1Cl	585076581	NNOMWMXIZQMSIZ-QWRGUYRKSA-N	311.574	1.491	50	20	DDGD	
Cc1ccc(CN(C(=O)c2ccc(B(O)O)c(F)c2)C(C)C)o1	584933168	XGIZSNSPXZLTQP-UHFFFAOYSA-N	319.141	1.458	50	20	DDGD	
C=CCOCCNC(=O)NNc1cccc(C(=O)OC)c1F	838540688	IWQLOCBEEZJBFJ-UHFFFAOYSA-N	311.313	1.441	50	20	DDGD	
O=C(NNc1cccnn1)[C@@H]1CCCC[C@@H]1N1CCCC1=O	832045262	XUTMYKHIEFSDRD-NEPJUHHUSA-N	303.366	1.101	50	20	DDGD	
COc1cc(C=NNC(=O)c2c[nH]nc2C)ccc1OCC#N	735410729	TWKPLOZOCFAFPL-UHFFFAOYSA-N	313.317	1.393	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCCN(C(=O)CC(C)C)CC1	830672618	NTVIEDYEGMPUTJ-OWBHPGMISA-N	307.394	1.537	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H]2C[C@H](OC)C23CCC3)n1	838767421	NVIIVRVPUJLTAV-QWRGUYRKSA-N	321.381	1.377	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1C[C@H](c2cccc(OC)c2)C1	838701094	YTFSOKZPISJZTR-JOCQHMNTSA-N	321.377	1.308	50	20	DDGD	
CCCCNC(=O)[C@H]1CC[C@@H](C)N(S(=O)(=O)CCl)C1	830161100	MNLFSOGROUAJHN-MNOVXSKESA-N	310.847	1.529	50	20	DDGD	
C[C@H](C(=O)NN=c1sc2ccccc2n1C)n1cccn1	912977626	XWEOPZBNBSGXQB-SNVBAGLBSA-N	301.375	1.629	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)CCO2)NC1CCCCC1	913901348	UVHXGXCQSRJNBD-UHFFFAOYSA-N	303.362	1.898	50	20	DDGD	
CC[C@@H](C)C(C)=NNC(=O)Cn1nnc(-c2ccccc2)n1	915907415	LVWCYFDJODVMSC-LLVKDONJSA-N	300.366	1.878	50	20	DDGD	
CN(C)C(=O)NN=C1C(=O)Nc2c1ccc(Cl)c2Cl	745602316	PRAKXNFXRJBAMN-UHFFFAOYSA-N	301.133	1.921	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H](C)Cc1ccc(C#N)cc1	847285520	NITGFSATADNATF-LLVKDONJSA-N	302.403	1.418	50	20	DDGD	
CCSc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cn1	843644804	DWSWNMDUJZANIB-ONGXEEELSA-N	309.391	1.380	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2cccc(N(C)C)c2)cnn1C	916093152	AAVLDWYPZJTGPI-UHFFFAOYSA-N	315.377	1.123	50	20	DDGD	
CO[C@@H](C(=O)NNc1nc2ccccc2n1C)c1cnn(C)c1	848380659	NHIUGDRTBMFFBE-CYBMUJFWSA-N	314.349	1.138	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@H]1CC(=O)N(CC(C)C)C1	846643383	NRQZRKDJCVTSFU-NSHDSACASA-N	323.368	1.782	50	20	DDGD	
CC(C)c1nn(C)c(Cl)c1C=NNC(=O)c1cnccn1	915959451	FBXWMCRDXBFINB-UHFFFAOYSA-N	306.757	1.751	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2cc[n+]([O-])cc2)cc1C	913434294	CVQBXOJREZLALS-UHFFFAOYSA-N	316.386	1.568	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@@H](C)[C@H]2CCOC2)cc1	845009245	CKCMVPBDACCWQL-AAEUAGOBSA-N	321.377	1.453	50	20	DDGD	
CCCC[C@@H](CN)NC(=O)NNC(=O)C(C)(C)c1ccccc1	841959234	OLRZNKHKGXKAMU-AWEZNQCLSA-N	320.437	1.812	50	20	DDGD	
COc1ccc(NCC(=O)NN=Cc2c(C)n[nH]c2C)cc1	915938113	ZARNDBLDXGAMFX-UHFFFAOYSA-N	301.350	1.597	50	20	DDGD	
CCN(Cc1ccc(C)cc1)C(=O)NNC(=O)c1ncccn1	841593391	FUDDFBZJHKFXPL-UHFFFAOYSA-N	313.361	1.662	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNC(=O)c1ccc(Cl)cc1O	842227588	UJQUUEYLXZFKFG-GFCCVEGCSA-N	314.769	1.868	50	20	DDGD	
CC(C)=CCC[C@H](C)CC(=O)NNc1ccc(C(N)=O)nn1	844135482	QSFFTVQWZZRFHE-NSHDSACASA-N	305.382	1.791	50	20	DDGD	
COc1nc(N(C)C)sc1C=NNC(=O)[C@@H]1CCO[C@H]1C	842558704	SMLTXNSTXZUOBT-DTWKUNHWSA-N	312.395	1.093	50	20	DDGD	
CCn1ccc(CNC(=O)NNC(=O)c2ccccc2C)n1	840400711	CNBMCRHQCBKFQF-UHFFFAOYSA-N	301.350	1.356	50	20	DDGD	
CC(C)N(C)S(=O)(=O)NNC(=O)c1cc2c(s1)CCC2	747596937	UJCILPWXOAHQKL-UHFFFAOYSA-N	317.436	1.056	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(OC)cc1Cl	748258950	RBKORRPTJVYORI-JTQLQIEISA-N	314.769	1.850	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NN=c1sc2ccccc2n1C	919485819	FAYKPJPPHIBRDQ-UHFFFAOYSA-N	315.402	1.754	50	20	DDGD	
Cc1cc(C=NNC(=O)Cc2cccnc2)ccc1-n1cncn1	743439765	LDQXJYKWAIMFML-UHFFFAOYSA-N	320.356	1.664	50	20	DDGD	
Cc1nc(N2CCOCC2)sc1C(=O)NN=C1CCO[C@H]1C	747740162	BELMFSUJMONRAX-JTQLQIEISA-N	324.406	1.183	50	20	DDGD	
C[C@@H]1COCCN1CCNC(=O)NNc1ccc(Cl)nc1	745803810	WLMPXWRKXNBYBD-SNVBAGLBSA-N	313.789	1.082	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc([C@H](C)C(=O)OC)cc1	841772247	WLAQIFDGDCNZPV-JTQLQIEISA-N	323.349	1.152	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)[C@H](C)Oc1ccccc1F	749756474	IRIYNPZXGKXZTQ-ZJUUUORDSA-N	313.398	1.887	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)NC[C@@H](C)C(C)(C)C	748633363	LYXWSDPXCSSZJD-MNOVXSKESA-N	303.403	1.051	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@H]1CC12CCCC2	747345945	SBXQWGGKCWOIIH-GFCCVEGCSA-N	318.373	1.802	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H](CC(C)C)OC)cc1	841080209	NVIVONJYWBNGGI-OAHLLOKOSA-N	322.405	1.836	50	20	DDGD	
COC1([C@@H](C)NC(=O)NNc2nc3ccccn3n2)CCC1	840457831	SGTQNUCMJVZMLQ-SNVBAGLBSA-N	304.354	1.313	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNC(=O)c1ccc(Cl)cc1	844271991	HAUSBVWXIYNEQN-UHFFFAOYSA-N	311.769	1.263	50	20	DDGD	
C[C@@H]1C[C@@H]1c1ccc(C=NNC(=O)C(=O)Nc2ccccn2)o1	758381783	RPDKNUHUCJYVRN-PWSUYJOCSA-N	312.329	1.887	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=Cc1ccccc1F	750945137	GBVYFAZNZZTJGK-UHFFFAOYSA-N	305.334	1.767	50	20	DDGD	
CO[C@H](C=NNC(=O)CNC(=O)OC(C)(C)C)C1CCCC1	853329034	UYRQCERXACAMNE-GFCCVEGCSA-N	313.398	1.818	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)CNc2ccccc2F)c[nH]1	753161544	QZRPDEDDQKWRQK-UHFFFAOYSA-N	318.308	1.503	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCc2cnn(C)c2C)c1	858326358	ZMPGNBZFSVHTOQ-UHFFFAOYSA-N	307.379	1.243	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H]1CCN(C)C(=O)C1	920436815	IAOMSZLPLYNVRT-NSHDSACASA-N	304.350	1.016	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNc1ccc([N+](=O)[O-])cc1F	855623896	TWKBIOHLJUCGSD-SECBINFHSA-N	313.285	1.766	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCOc2ccc(F)cc2)o1	752363159	ADTGSQVUIYLRLS-UHFFFAOYSA-N	321.308	1.750	50	20	DDGD	
Cc1nnccc1C(=O)NNC(=O)Cn1ccc2ccccc21	753141129	YGXNMVQVPBPWCG-UHFFFAOYSA-N	309.329	1.201	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(-c2nnc(S)o2)cc1	759621959	SUPXCPYGRIQKTC-UHFFFAOYSA-N	321.362	1.379	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1cnc2c(c1)CCCC2	757999710	WSUBQHPXGRPKGI-UHFFFAOYSA-N	314.349	1.458	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(F)cc(Cl)c1)N1CCN(C)CC1	855618762	QDNZNDWRGRCPJH-JTQLQIEISA-N	314.792	1.558	50	20	DDGD	
CCN1C[C@H](C(=O)OC[C@H](CBr)C2CC2)CC1=O	859493179	BOFRQZDYSCENQO-MNOVXSKESA-N	318.211	1.819	50	20	DDGD	
CN(C)c1nccc(NNC(=O)Cc2ccc3c(c2)COC3)n1	758234420	ZGMFZCDUVNVWNR-UHFFFAOYSA-N	313.361	1.259	50	20	DDGD	
CN1C[C@H](c2ccccc2)[C@@H](C(=O)NNC(=O)C2CCC2)C1	859328137	LIOPKMHJWIOGRX-CABCVRRESA-N	301.390	1.279	50	20	DDGD	
CC[C@H](C(=O)NC[C@@]1(C)C[C@H]1Br)N1CCCC1=O	857399265	VSQJVJAUYPBRMA-GIPNMCIBSA-N	317.227	1.677	50	20	DDGD	
CO[C@H](C=NNC(=O)CNC(=O)c1cccnc1)C1CCCC1	853318121	NHSAAAWRUMTDDL-CQSZACIVSA-N	318.377	1.119	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc(C(C)C)on1	854283195	LRNUCSLQMUSVHF-UHFFFAOYSA-N	314.411	1.286	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)c2cccc(C(=O)O)c2)C1	853424896	AXMBRWUKHVBJRI-UHFFFAOYSA-N	304.302	1.444	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2CCc3n[nH]cc3C2)C[C@@H]1Br	857393256	FPHFXUWJJNGOGM-LJUAHTATSA-N	312.211	1.804	50	20	DDGD	
O=C(NN=Cc1cnc2n1CCC2)Nc1ccc2c(c1)OCO2	853352127	IAFJHHUFSXGVBU-UHFFFAOYSA-N	313.317	1.714	50	20	DDGD	
COC(=O)c1cnc(C(=O)NNc2ncccc2Cl)cn1	758162360	CKXFGSSOVMHFMO-UHFFFAOYSA-N	307.697	1.069	50	20	DDGD	
COC1(CCNC(=O)NNC(=O)c2cc(C)cs2)CCC1	858489574	HBXOYRGILIQUEK-UHFFFAOYSA-N	311.407	1.960	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cnc2ccccc2n1)C1CC1	855103937	WABYJWFAJSEYOT-VIFPVBQESA-N	315.402	1.537	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCn1cccc1	753049702	OAQUVHQBZOQKKD-UHFFFAOYSA-N	302.334	1.141	50	20	DDGD	
Cn1cc(C=NNC(=O)COc2ccc3ccccc3c2)nn1	755627851	LQRALPBAXHCBNB-UHFFFAOYSA-N	309.329	1.497	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H]1C[C@@H]1c1cc(OC)ccc1OC	854919662	ADYLSUJFVPEFOG-PWSUYJOCSA-N	323.418	1.275	50	20	DDGD	
Cn1cc(CCC(=O)NNC(=O)c2ccccn2)c2ccccc21	755034441	NWNPXMZTLHBYNK-UHFFFAOYSA-N	322.368	1.967	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCc1ncccn1)c1ccccc1	852082137	GHPBRRDDUFPAHR-UHFFFAOYSA-N	313.361	1.285	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)Nc2ccsc2)C[C@H]1Br	857006333	WCTKRGNJRHWXHF-KCJUWKMLSA-N	317.208	1.976	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)C(=O)NNC(=S)N[C@H](C)C1CC1	855101023	NORQTBMFBHPHNS-HTQZYQBOSA-N	309.439	1.424	50	20	DDGD	
CN(C)C(=O)c1ccc(C=NNC(=O)c2ccccc2O)[nH]1	752154481	GTFNDQPGLLCDSV-UHFFFAOYSA-N	300.318	1.186	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc([C@H]2CNCCO2)cc1	850764628	DYJTUZJMTMGADX-CYBMUJFWSA-N	320.393	1.546	50	20	DDGD	
O=C(C[C@@H]1CC(=O)NC1=O)NNc1cc(Cl)cc(Cl)c1	935624342	NPFQLPOTZGYZLX-LURJTMIESA-N	316.144	1.489	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cnccn2)ccc1N(C)C	755744449	IJNJCVAYUJHDEF-UHFFFAOYSA-N	314.349	1.318	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC2(CCOC2)CC1	761060900	YDZHOMDDVZZGHX-CYBMUJFWSA-N	311.426	1.071	50	20	DDGD	
O=C(NN=Cc1nc2ccc(F)cc2s1)C(=O)N1CCCC1	761803171	CSRRMHAXHBLCOS-UHFFFAOYSA-N	320.349	1.508	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)CSc2ccccc2O)o1	764047346	GUADZZKEQSRFEB-UHFFFAOYSA-N	320.370	1.776	50	20	DDGD	
Cc1cc(Cl)ccc1C=NNC(=O)[C@H]1CCS(=O)(=O)C1	767362524	XWXNEXSXROFCFD-NSHDSACASA-N	314.794	1.533	50	20	DDGD	
CCn1cnnc1CNC(=O)NNc1c(F)cccc1Cl	769744070	UKKKATYQJCTXHX-UHFFFAOYSA-N	312.736	1.917	50	20	DDGD	
CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NNc1cccc(C)n1	862524909	XFOGLGYKNMSFSZ-MRXNPFEDSA-N	324.384	1.807	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ncc3n2CCCC3)n1	868907477	OFXYOJMPHWOUFA-UHFFFAOYSA-N	306.757	1.728	50	20	DDGD	
COCCCOCCC(=O)NNC(=O)c1cc(C)cs1	862480666	ZOGFAIYOQUTROY-UHFFFAOYSA-N	300.380	1.261	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)NCCN1CC[C@@H](O)C1	863327257	AQPOMVGDPWXFEL-CHWSQXEVSA-N	318.508	1.883	50	20	DDGD	
CN(CC(=O)NNc1cccc(Br)n1)C1CCC1	863924304	ZALSVNDYDCXHAL-UHFFFAOYSA-N	313.199	1.772	50	20	DDGD	
C[C@H](NNC(=O)CCCNC(=O)c1ccsc1)C(F)(F)F	862305017	HXWHZLVVRRMQMV-QMMMGPOBSA-N	323.340	1.830	50	20	DDGD	
CN1CCC(=NNC(=O)c2c(Cl)cccc2Cl)C1=O	761808159	NSHMXGZYBWJGNA-UHFFFAOYSA-N	300.145	1.941	50	20	DDGD	
CCc1c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)oc2ccccc12	862462503	XGNKHYQUOOUIHP-NSHDSACASA-N	315.329	1.035	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1cccc(-n2cccc2)c1	763832367	OMULSJNWVYLRDS-UHFFFAOYSA-N	314.345	1.219	50	20	DDGD	
CCOc1c(C=NNC(=O)c2cn[nH]c2)c(C)nn1CC(C)C	863156377	YMTUCIHSUUPLFC-UHFFFAOYSA-N	318.381	1.733	50	20	DDGD	
COC(=O)N1CCC(=NNC(=O)c2ccc(C)c(O)c2)CC1	1119358536	ZPBTXMFNGCBCKY-UHFFFAOYSA-N	305.334	1.649	50	20	DDGD	
CCC1(CC)C(=NNC(=O)[C@@H]2CCS(=O)(=O)C2)C[C@@H]1OC	762605731	YBUZQGQPEYPIAH-PWSUYJOCSA-N	316.423	1.118	50	20	DDGD	
COCCOCc1ccc(C=NNC(=O)c2cccnn2)cc1	1119357687	JSVGGJSCLIKIJT-UHFFFAOYSA-N	314.345	1.404	50	20	DDGD	
Cc1csc(CCC(=O)NNC(=O)c2ccc(Cl)nc2)n1	767638649	ZLGKADDEDHDXQY-UHFFFAOYSA-N	324.793	1.894	50	20	DDGD	
NCCCCNC(=O)NNc1ccccc1OC(F)(F)F	1118032186	HYEIBFGBSQSXOE-UHFFFAOYSA-N	306.288	1.950	50	20	DDGD	
C[C@H](CC1CCCCC1)C(=O)NNC(=O)CN1CCCC1=O	1119600820	YYGZPZWFLKZNHV-GFCCVEGCSA-N	309.410	1.363	50	20	DDGD	
CSc1nsc(NC(=O)NNC(=O)c2ccccc2)n1	770352098	XKLXUEGMVGSRAS-UHFFFAOYSA-N	309.376	1.727	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=S)Nc1ccc(OC)nc1	874955550	SECLCTNVCFFPCQ-ZDUSSCGKSA-N	312.395	1.223	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cc(F)cc2cccnc12	779823405	QFWFGLQCFULCKW-UHFFFAOYSA-N	304.281	1.180	50	20	DDGD	
C[C@H]1Oc2ccc(NC(=O)NNc3ncccn3)cc2NC1=O	775468080	LWMSAKWMQLSPGT-MRVPVSSYSA-N	314.305	1.345	50	20	DDGD	
CCCCC[C@@H](NC(=O)NNC(=O)C(=O)OC)c1ccccc1	1116181924	MMFFZZHIJLVVMS-CYBMUJFWSA-N	321.377	1.811	50	20	DDGD	
N#CC1=CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1	779591122	WFQAGFLHOMZBHN-HNNXBMFYSA-N	312.329	1.856	50	20	DDGD	
N#CCc1ccccc1CC(=O)NNC(=O)NC1CCCCC1	776968354	ODSWXHRKUYKTCB-UHFFFAOYSA-N	314.389	1.958	50	20	DDGD	
C#CCO[C@H](C)C(=O)NNC(=S)Nc1ccc(C)c(C)c1	873761896	KKFUUNKUWHAJCO-GFCCVEGCSA-N	305.403	1.659	50	20	DDGD	
CN(CC(=O)NNc1ncc(Cl)cc1Cl)C(=O)C1CC1	775269246	BHMIXZWUQSAERS-UHFFFAOYSA-N	317.176	1.700	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)co1	772989917	JUSGMTPNAIUOIT-MRVPVSSYSA-N	323.736	1.865	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)C2=COCCC2)cc1	874951179	LYGJLNCPNGOEBD-UHFFFAOYSA-N	320.418	1.765	50	20	DDGD	
CC(=NNC(=O)[C@H]1COc2ccccc2O1)[C@@H]1CCCOC1	779757967	NJSYIUKSRVFOMQ-IUODEOHRSA-N	304.346	1.745	50	20	DDGD	
O=C(CO)NN=Cc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1	776781177	YFPXERJSRVQUMQ-UHFFFAOYSA-N	315.285	1.830	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CO)c1ccc(C(F)(F)F)cc1	879395290	FWIUFZISKDKULH-UHFFFAOYSA-N	304.268	1.123	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)C2=CCCCO2)cc1	874951430	OWFKIRFFKOVOJO-UHFFFAOYSA-N	320.418	1.765	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cnc(C(C)C)nc2C)n1	879828930	GVAAGTSJNQXRPI-UHFFFAOYSA-N	313.361	1.687	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1cccc2nccn12	771088698	PEIVNSDVMDLEHO-UHFFFAOYSA-N	324.340	1.872	50	20	DDGD	
C[C@H](C(=O)NNc1ccnc(Br)c1)n1cncn1	771532838	OMMWIZMOMZMJPR-SSDOTTSWSA-N	311.143	1.140	50	20	DDGD	
CC[C@H]1C[C@@H](C)CN1CC(=O)NNC(=O)c1cccc(C)c1	777594932	KTYFGMKWJPFXLX-HIFRSBDPSA-N	303.406	1.876	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1cncnc1	772972080	RYDPNNFNAANFSS-SECBINFHSA-N	320.736	1.359	50	20	DDGD	
Cc1ccnc2c(S(=O)(=O)NNC(=O)C3CCC3)cccc12	777631701	LZFRYKDWVNZJHI-UHFFFAOYSA-N	319.386	1.653	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2cccnn2)CCc2ccccc2C1	882058237	MDZIBTVAHWOWHA-KRWDZBQOSA-N	310.357	1.433	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccn(CCC(F)(F)F)n1	1123608801	UGPUIYVTBQYNIH-UHFFFAOYSA-N	321.303	1.580	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)NCCc2cccs2)c(C)n1	777371954	FVHINJAZTMJRQF-UHFFFAOYSA-N	319.390	1.342	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(C)[C@H](CO)C(C)(C)C)c1	777710156	WOFSMMFSRZFFDY-CQSZACIVSA-N	321.421	1.095	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2[C@@H](C)[C@H](OC)C2(C)C)n1	775770463	DDHIQPMWMHFTPB-JLLWLGSASA-N	323.397	1.479	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)CC[C@@H]1NC(=O)NC1=O	885123582	ASCJDUSINPRDGR-VIFPVBQESA-N	310.741	1.080	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(Cl)cc1F)N1CCN(C)CC1	885107853	PWLRWAKGPFTDHH-SNVBAGLBSA-N	314.792	1.558	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](O)c2ccccc2)c1	781034556	JOUDMYXIONSRKU-CQSZACIVSA-N	300.314	1.650	50	20	DDGD	
O=C1COc2ccc(C=NNC(=O)c3ccc(O)cc3)cc2N1	788697693	GWUCDDLVYSAWHM-UHFFFAOYSA-N	311.297	1.487	50	20	DDGD	
CSSCCNC(=O)N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1	883633414	UVVAHWWEXMTULA-PHIMTYICSA-N	303.453	1.117	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2ccc(C3CC3)cc2)ncn1	783944307	JDQOPCRZNFXHKS-UHFFFAOYSA-N	311.345	1.744	50	20	DDGD	
CC[C@H](C)C(=O)NN=Cc1c[nH]ccc1=NC(=O)C(C)(C)C	783832381	ILAZOMWXTIPFRK-NSHDSACASA-N	304.394	1.984	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCC[C@@](C)(C#N)C1	784307640	IPBQFBNPCXVQPD-INIZCTEOSA-N	316.361	1.675	50	20	DDGD	
COC(=O)[C@@H](C)Oc1ccccc1/C=C(\C#N)C(=O)NC1CC1	899337263	CYLTZPUXLFSWQH-VSXLWIIGSA-N	314.341	1.812	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1csc(Cl)c1	787154937	MOGWDYQCQJEGCB-SSDOTTSWSA-N	323.827	1.179	50	20	DDGD	
Cn1nc(Br)cc1C=NNC(=O)c1ccccn1	782097682	MKQBUDVRWMHMME-UHFFFAOYSA-N	308.139	1.342	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1ccc(Cn2cncn2)cc1	781359493	QCHPOPFJMJKUBQ-UHFFFAOYSA-N	312.308	1.617	50	20	DDGD	
COc1ccc(NNC(=O)c2cccc3nc(O)oc23)nc1	781526374	VIKZASYCKCQURQ-UHFFFAOYSA-N	300.274	1.694	50	20	DDGD	
CN1CCC[C@H]1c1cc(C(=O)NNC(=O)OC(C)(C)C)n[nH]1	895510316	NDNQJMOGOYYPMC-NSHDSACASA-N	309.370	1.346	50	20	DDGD	
C#CCSCC(=O)NNC(=O)COc1ccccc1CC	895443654	GWAWXGKRHZTQDT-UHFFFAOYSA-N	306.387	1.142	50	20	DDGD	
CCOC(=O)Cc1cccc(NC(=O)NN=c2cc[nH]cc2)c1	782048128	OPRWYQUSYDWMGF-UHFFFAOYSA-N	314.345	1.758	50	20	DDGD	
O=C(CSc1nnc(O)nc1O)NN=C1CCC2(CC1)CC2	792629926	DBCAMTHHWRAOEG-UHFFFAOYSA-N	323.378	1.201	50	20	DDGD	
COc1ccccc1CONC(=O)NNC(=O)C1CCCC1	798536846	ASHUGJYIVFZHDK-UHFFFAOYSA-N	307.350	1.647	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccc(NC2CC2)nc1	791243902	XZNZLTPQEHUJBF-UHFFFAOYSA-N	309.333	1.456	50	20	DDGD	
C=C(CBr)COC(=O)CCn1cc([N+](=O)[O-])cn1	795472748	LLMYWXHRYBMZQW-UHFFFAOYSA-N	318.127	1.676	50	20	DDGD	
CC(=O)c1ccc(CC(=O)NNc2nc3ccccn3n2)cc1	791260238	LBEAHAPLHNRANL-UHFFFAOYSA-N	309.329	1.618	50	20	DDGD	
O=C(NNC(=O)[C@@H](F)CC1CCCCC1)C(=O)N1CCCC1	793304641	LVHQRCRSGPZLJG-LBPRGKRZSA-N	313.373	1.065	50	20	DDGD	
O=C(NNC(=O)c1cnc2c(F)cccc2c1)c1cccnc1	794199673	RGYMZFYHGLAPED-UHFFFAOYSA-N	310.288	1.844	50	20	DDGD	
CC(C)c1nn(C)cc1C(=O)NNc1nncc(N)c1Cl	1319406133	OWVBVDCVSYLAEQ-UHFFFAOYSA-N	309.761	1.326	50	20	DDGD	
CCOC(=O)C1(C)CC(=NNC(=O)c2n[nH]c3c2CCCC3)C1	1329731405	NZWCZORFQLMSAT-UHFFFAOYSA-N	318.377	1.738	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1CC	1326648477	SHWCCNCJQAZXDC-XHDPSFHLSA-N	304.390	1.997	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2ccc(-c3cnn(C)c3)cc2)n[nH]1	1321220107	KIGNEQXZXSHUNF-UHFFFAOYSA-N	322.372	1.811	50	20	DDGD	
Cc1cc(C)c(CNC(=O)NNC(=O)C2CCNCC2)c(C)c1	1328713907	PAHWWNVLOOHNEA-UHFFFAOYSA-N	318.421	1.442	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNc2nncc(N)c2Cl)[nH]n1	1324051608	ZOSDTONGGJJXHH-UHFFFAOYSA-N	309.761	1.490	50	20	DDGD	
CN[C@H](C)CCNC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	1325325149	UEAVVWKVSUUFCN-LLVKDONJSA-N	322.413	1.086	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCC1CCC(C)(C)CC1	1326753821	YSSCDHDUQSVVTB-DGCLKSJQSA-N	311.426	1.958	50	20	DDGD	
CCCN1CCCC[C@H]1C(=O)NNC(=O)c1cccc(F)n1	1329445831	SJZXCXSWPWWVQN-LBPRGKRZSA-N	308.357	1.246	50	20	DDGD	
O=C(NNc1ncccc1F)Nc1ccnn1C[C@H]1CCOC1	1323074262	ZQEZCRHDTANJOX-SNVBAGLBSA-N	320.328	1.602	50	20	DDGD	
Nc1cnnc(NNC(=O)NCC2CC(F)(F)C2)c1Cl	1330155812	XCICAMUILKIYJI-UHFFFAOYSA-N	306.704	1.384	50	20	DDGD	
O=C(NNC(=O)C1C2CC3CC(C2)CC1C3)c1cccnn1	1332675251	JIOHFHDXCFSDSM-UHFFFAOYSA-N	300.362	1.310	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)nn1	1338784782	FTILGONVECULEC-MNOVXSKESA-N	319.409	1.509	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)[C@H]1CCc2nnc(O)n2C1	1339026798	AEDZGYSBUKQZBA-VIFPVBQESA-N	321.768	1.651	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@]12CC[C@H](CC1=O)C2(C)C)C1CC1	1347304512	JFEXGGAPNKWQQF-RDGWCUKFSA-N	323.462	1.676	50	20	DDGD	
C[C@@H]1CCCN1C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1351192579	RDACTFVGWXGNAL-PTRXPTGYSA-N	303.200	1.287	50	20	DDGD	
COCOc1ccc(NC(=O)NNC(=O)C2CCOCC2)cc1	1352941977	SVMVBLGSTMGRKM-UHFFFAOYSA-N	323.349	1.249	50	20	DDGD	
O=S(=O)(CCl)NC1CCN(Cc2ccccc2)CC1	111000338	AYHISXVNOSGSBF-UHFFFAOYSA-N	302.827	1.767	50	20	DDGD	
Cc1c(NNC(=O)Cn2cc(C3CC3)cn2)cccc1C(=O)O	1600051685	UYNPCYCLXUVSBX-UHFFFAOYSA-N	314.345	1.910	50	20	DDGD	
CCCc1c(C(=O)NNc2ncccn2)[nH]c(C)c1C(=O)O	1605366280	QLRWTFOTKJOMGL-UHFFFAOYSA-N	303.322	1.521	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)c1cc(-c2nn[nH]n2)cs1	1606862162	VLJISAKCBMYDKJ-UHFFFAOYSA-N	323.288	1.358	50	20	DDGD	
CCCc1nnc(NC(=O)NNc2ncccc2C(=O)O)s1	1603692683	IJLIZQWESGQYTQ-UHFFFAOYSA-N	322.350	1.732	50	20	DDGD	
CSc1ccc(NNC(=O)c2cnc(C(=O)O)cn2)cc1	1607409351	HUIVCOGVBNBEBK-UHFFFAOYSA-N	304.331	1.654	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)c1cc(O)ccc1[N+](=O)[O-]	1602473004	OSNNEVWNSPDQEW-UHFFFAOYSA-N	317.257	1.756	50	20	DDGD	
CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1cn(C)nc1C	1609060766	AVWJEGNUWHJWCU-UHFFFAOYSA-N	324.348	1.063	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)CSc2ccncc2)cc1	1602127424	QFFORMJBLDPRLV-UHFFFAOYSA-N	317.370	1.944	50	20	DDGD	
C[C@@H]1CC[C@@H](CNC(=O)NNc2ccc(C(=O)O)c(F)c2)O1	1609847797	MGSGJPXSFRKJAO-SCZZXKLOSA-N	311.313	1.718	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)ccc1C(=O)O	1610473682	NQYATKXDMXTPHF-SKDRFNHKSA-N	321.333	1.271	50	20	DDGD	
I[C@H]1COC[C@@H]1OCC1CCOCC1	158395372	XTTHBDCSKYVJCH-UWVGGRQHSA-N	312.147	1.632	50	20	DDGD	
CO[C@H]1CN[C@@](C)(C(=O)NNc2ccc3ccccc3n2)C1	1573960769	LHPFJYIKPXQNKL-MLGOLLRUSA-N	300.362	1.445	50	20	DDGD	
C=CCCC(C)=NNC(=O)COc1ccccc1-c1nn[nH]n1	1588577628	JTQIDFVRNLXCFR-UHFFFAOYSA-N	314.349	1.704	50	20	DDGD	
CC(=NNC(=O)C(=O)O)c1ccc(F)cc1Br	1589010930	LBFCEKFHSWCLTC-UHFFFAOYSA-N	303.087	1.513	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1ncccn1)C2	1845164277	WVFTUWXZGWNDNT-NSHDSACASA-N	322.796	1.311	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCCCC(=O)O)c2ccccc21	1594530275	JITAQIWJMJYTTG-UHFFFAOYSA-N	317.345	1.584	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1C[C@H](c2ccccc2)[C@@H](C(=O)O)C1	1596859515	DDHDFHBYVTWVJV-URQVRESPSA-N	314.341	1.757	50	20	DDGD	
C[C@H]1SCC[C@@H]1NC(=O)NNc1ccc(CC(=O)O)cc1	1594664501	QZYCYPFKQISQGN-SKDRFNHKSA-N	309.391	1.834	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H](C(=O)O)C(C)C)cc1C	1594373661	QOVNPXQFPSTOCI-LBPRGKRZSA-N	323.418	1.978	50	20	DDGD	
Cc1ccc(NNC(=O)COc2ccccc2-c2nn[nH]n2)cc1	1592185242	QGUPLQLMXQYMTB-UHFFFAOYSA-N	324.344	1.697	50	20	DDGD	
CCc1cc(C(=O)O)c(C=NNC(=O)N2CCN(C)CC2)s1	1776057750	AZOWNOQNOUYEHH-UHFFFAOYSA-N	324.406	1.300	50	20	DDGD	
O=C(O)/C=C\c1ccc(C=NNC(=O)Cc2ccccc2O)o1	1776094241	ITJNAFMKRDOYNM-GIXUDAMESA-N	314.297	1.776	50	20	DDGD	
Cn1cc(C(=O)O)cc1C=NNC(=O)Cc1ccc(F)cc1	1776024462	WQOYQZRADJVODX-UHFFFAOYSA-N	303.293	1.555	50	20	DDGD	
COCCCS(=O)(=O)/C(C#N)=C\c1cncc(C(=O)O)c1	1777207098	QAUPVCHGLCOODW-SDQBBNPISA-N	310.331	1.096	50	20	DDGD	
O=C(NN=Cc1ccc(O)c(C(=O)O)c1)OCC(F)(F)F	1776097229	SQXICNIBRLPBTL-UHFFFAOYSA-N	306.196	1.713	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C\c1cccn2c(C(=O)O)cnc12	1776330820	FVNZKLNSMUDRBV-SDQBBNPISA-N	312.329	1.712	50	20	DDGD	
Cc1ccc(C=NNC(=O)c2ccc(=O)n(C)c2)c(C(=O)O)c1	1776103682	VPBFQJJFSIWZIK-UHFFFAOYSA-N	313.313	1.156	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2OCCc3ccccc32)o1	162199333	HQRISJMDWJNDFG-AWEZNQCLSA-N	300.314	1.663	50	20	DDGD	
N#Cc1cccc(NNC(=O)CNC(=O)CC2CCCC2)c1	152341825	LQFYJACKBPHEME-UHFFFAOYSA-N	300.362	1.698	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCC1(C2CC2)CC1	156008492	ATYYETIJUNQYGI-UHFFFAOYSA-N	303.362	1.829	50	20	DDGD	
CCCC1(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)CCC1	155272134	UARGDQOZQUAFOX-CYBMUJFWSA-N	317.455	1.338	50	20	DDGD	
COCCC1(C(=O)NNC(=O)COc2ccc(C)cc2)CC1	156760546	SAJPXKUFNWGDMX-UHFFFAOYSA-N	306.362	1.338	50	20	DDGD	
CN(CCN(C)S(=O)(=O)CCl)C(=O)OC(C)(C)C	831010436	VRIOOPHUSBTWHM-UHFFFAOYSA-N	300.808	1.311	50	20	DDGD	
Cc1cc(CC(=O)N(C)NC(=O)OCc2ccccc2)n[nH]1	862287607	RCDSCODZGUWYSR-UHFFFAOYSA-N	302.334	1.560	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccccc1F	7810364	QNEHYHWIOJKPRL-UHFFFAOYSA-N	312.304	1.857	50	20	DDGD	
COCCCNC(=O)NNC(=O)COc1c(C)cccc1C	10576127	HBNKZRSQRMGKCW-UHFFFAOYSA-N	309.366	1.049	50	20	DDGD	
O=C(NNc1cnccn1)[C@H]1CCCN1Cc1ccc(F)cc1	176159334	IRXMJEWPIIZYBD-CQSZACIVSA-N	315.352	1.723	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1nc(Cl)ccc1Cl	52934804	JQSMJUAQOQTNIA-UHFFFAOYSA-N	305.190	1.683	50	20	DDGD	
O=C(NNc1cnccn1)c1ccc(OC[C@H]2CCCO2)cc1	114880471	PZECLEAJNUVJGN-CQSZACIVSA-N	314.345	1.791	50	20	DDGD	
COc1cc(C(=O)NNc2cc(C)ncn2)ccc1[N+](=O)[O-]	172272540	IBRIXDOQXMEVOT-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CC[C@H]1CCCCO1	110311402	JGUXPASFYAFXNB-GFCCVEGCSA-N	306.362	1.806	50	20	DDGD	
O=C(CCOc1ccccc1F)NNC(=O)NCc1ccco1	65177752	ZSPFLUUMQWPYNT-UHFFFAOYSA-N	321.308	1.718	50	20	DDGD	
CO[C@H](C)C(=O)NNC(=O)COc1cc(C)ccc1C(C)C	54872540	INUSQBYMNNDRIG-GFCCVEGCSA-N	308.378	1.680	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1cccnc1	24627669	CXMFFQDRGUDBDU-UHFFFAOYSA-N	305.721	1.818	50	20	DDGD	
O=C(CC[C@H]1CCCCO1)NNC(=O)COc1ccc(F)cc1	110602654	OTTUSTUCJHJIBM-CYBMUJFWSA-N	324.352	1.701	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NNC(=O)c1cccc(Cl)c1	171770109	OBSSWDMMILROOX-UHFFFAOYSA-N	312.757	1.361	50	20	DDGD	
O=C(CCOC1CCOCC1)NNc1ccc(F)cc1F	175543530	PXXPKZYCMTWSMJ-UHFFFAOYSA-N	300.305	1.994	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)C(=O)Nc1cncc(F)c1	1344552676	NOBUXSXRKIXWDL-UHFFFAOYSA-N	318.312	1.216	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cccn1C)c1ccc(OC)cc1	179593463	WOIUUOUXLKJSGX-CQSZACIVSA-N	315.373	1.989	50	20	DDGD	
COc1cc(C(=O)NNC(=O)Cc2ccncc2)ccc1Cl	119532169	ADSUOAFSTOGHGT-UHFFFAOYSA-N	319.748	1.747	50	20	DDGD	
CC(=O)c1cccc(NC(=O)C(=O)NNc2ccc(C#N)cc2)c1	119649349	KYXAIYYULRMPSA-UHFFFAOYSA-N	322.324	1.843	50	20	DDGD	
O=C(CCc1ccccn1)NNC(=O)Cn1ccc2ccccc21	170899844	YOCZUEPPTBZHPK-UHFFFAOYSA-N	322.368	1.817	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C2[C@@H]3CCC[C@@H]23)cc1OC	177618571	BRQZZBDWEMQAQV-VXGBXAGGSA-N	318.373	1.901	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)Cc2ccncc2)cc1F	175782520	CLTJNPFHDPYCGD-UHFFFAOYSA-N	317.320	1.162	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C2[C@H]3CCC[C@@H]23)c1	178096809	VZGBEPQLWQEELN-NNQSOWQGSA-N	303.362	1.301	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1cnc(Cl)cn1	178164698	BQGACNQFOFASOR-UHFFFAOYSA-N	308.700	1.273	50	20	DDGD	
Cn1c(=O)oc2c(C(=O)NNc3ccnc(F)c3)cccc21	182480399	RGUTXGUXPDVZBW-UHFFFAOYSA-N	302.265	1.423	50	20	DDGD	
O=C(CSCC(F)(F)F)NNC(=S)NCC1CCC1	126722683	SQOKSVFFJRWDCJ-UHFFFAOYSA-N	315.386	1.577	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1nc(Cl)ccc1Cl	32259427	IYKGAAXEWLBMPB-ZETCQYMHSA-N	304.133	1.328	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H]2COCCN2CC2CCC2)n1	187032895	XISRFPNHSOWDQW-CQSZACIVSA-N	319.409	1.037	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)Nc2cnn(C)c2)cc1	186728849	FENOGRHFGRBVBE-UHFFFAOYSA-N	317.353	1.344	50	20	DDGD	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNc1ncc(F)cn1	122657145	BLFAGUITNULWAE-SECBINFHSA-N	301.281	1.398	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1cccc(C)n1	73886546	PWSBESOZTDOANO-UHFFFAOYSA-N	313.357	1.792	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccc(Cl)cc2C1)[C@@H]1CCCO1	32259384	NNJRARVBNITUKM-MFKMUULPSA-N	324.764	1.218	50	20	DDGD	
Cn1nc(CCNC(=O)NNc2ncccn2)c2ccccc21	185886142	WJKAYJCAWTXIFS-UHFFFAOYSA-N	311.349	1.232	50	20	DDGD	
COCCCN(C)CCNC(=O)NNc1c(C)cccc1F	185461888	ADHHZTUMPZWOSH-UHFFFAOYSA-N	312.389	1.729	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNc1nnc(C2CC2)s1	184459955	GBIZOXZFYKSOKJ-SNVBAGLBSA-N	323.422	1.650	50	20	DDGD	
C[C@H](NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)c1ccccc1	42846606	SZKFLIADZJSNJB-FZMZJTMJSA-N	311.407	1.129	50	20	DDGD	
COC[C@H]1CN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C[C@@H](C)O1	188210001	BUSPCDJBRDOGOF-PQRBTORDSA-N	318.348	1.995	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)C(F)(F)c2ccccc2)n1	133976639	JLXOYVXMIUAHAG-UHFFFAOYSA-N	313.695	1.947	50	20	DDGD	
COC(=O)NNC(=O)CCc1cccc(Br)c1	192589576	BNSMVGGUYOKRQV-UHFFFAOYSA-N	301.140	1.769	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cccc(Cl)c2)nc(C)n1	130447666	XGQJFGVFSKUGQZ-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
CCCC[C@@H](CC)CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1	42842003	BGYLAZTYZGJJAV-TZMCWYRMSA-N	319.471	1.584	50	20	DDGD	
CCn1c(NNC(=O)c2cn[nH]c2C)nc2ccccc2c1=O	193378895	CULGQHZYCCSVFC-UHFFFAOYSA-N	312.333	1.205	50	20	DDGD	
O=C(NNC(=O)c1cccnc1OCC(F)(F)F)NC1CC1	143258818	XHVLFBBCELSFDT-UHFFFAOYSA-N	318.255	1.129	50	20	DDGD	
Cc1cc(NC(=O)NNc2ncccn2)n(-c2ccccn2)n1	149143836	WHFOTLYFQZBNNC-UHFFFAOYSA-N	310.321	1.514	50	20	DDGD	
O=C(CNC[C@H]1CCCO1)NNc1ccccc1C(F)(F)F	237807963	VCKKFZXCSBTXDI-SNVBAGLBSA-N	317.311	1.917	50	20	DDGD	
NC(=O)C(=O)NN=C1C[C@H](c2ccccc2)Oc2ccccc21	252452724	YEJCWWZFLQXQRC-OAHLLOKOSA-N	309.325	1.516	50	20	DDGD	
CCCC(=O)N1CCC[C@H]1C(=O)NNc1nc(C)cc(OC)n1	266923998	LVQBWUVEGWQESY-NSHDSACASA-N	321.381	1.028	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@H]1CCCCO1	269368509	RUGLTLHSHYTLJJ-CQSZACIVSA-N	322.361	1.181	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCC(C)(C)NC(=O)OC(C)(C)C	269467549	JRFGJLAOUCUJIJ-PKNBQFBNSA-N	311.382	1.850	50	20	DDGD	
O=C(CSC[C@@H]1CCCCO1)NNC(=O)c1ccccc1O	263874775	OSCPOOJHFQYPBN-NSHDSACASA-N	324.402	1.456	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc2c(c1)CCCO2	271284307	CTPYWLMZUHRMJU-JTQLQIEISA-N	312.391	1.367	50	20	DDGD	
CC1(C)CN(S(=O)(=O)CBr)[C@@H]1[C@H]1CCCO1	367729671	UPSDJEHFEHUVPC-RKDXNWHRSA-N	312.229	1.558	50	20	DDGD	
CC(C)(C)[C@@H]1CCCN1CC(=O)NNC(=O)c1ccccc1	272102373	NNCPUMJBYVIWOG-AWEZNQCLSA-N	303.406	1.958	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCO[C@@H](C)C2)c1	271963608	HEAZRRZELYIYJA-WCQYABFASA-N	317.414	1.801	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)CC(C)(F)F)c1	277718069	GRRKEHDFBFPBRN-UHFFFAOYSA-N	300.305	1.875	50	20	DDGD	
CCCCS(=O)(=O)/C(C#N)=C/c1cn[nH]c1C(=O)OCC	276753946	CWWVQBAXOGJKQW-YRNVUSSQSA-N	311.363	1.666	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1CCC[C@H]1CCO	275346372	IRFTWLBDJRVSJJ-JSGCOSHPSA-N	305.378	1.490	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC(C)(C)C[C@@H](C)O)c1	272664746	NVKFTZQVQFUVHO-LLVKDONJSA-N	323.393	1.896	50	20	DDGD	
CN(C)[C@H](CNC(=O)CN1CC=C(C#N)CC1)c1ccccc1	274671221	SUVNSGWOLUXLPK-QGZVFWFLSA-N	312.417	1.561	50	20	DDGD	
CCC(C)(C)CNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	277571171	YAJJPTVZJKRPRS-UHFFFAOYSA-N	324.337	1.681	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)COCC(F)(F)F)c1	272803533	JSBMUPJNOXMCEW-UHFFFAOYSA-N	306.240	1.495	50	20	DDGD	
COC(=O)CCCC(=O)NNC(=O)c1cccc2ncccc12	274071722	KFNMMKZQTYRICS-UHFFFAOYSA-N	315.329	1.339	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccnc1N1CCOCC1	273512529	UJBULMKROPGRNY-LLVKDONJSA-N	321.381	1.117	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@](C)(O)CCc1ccccc1	283025405	ZDJRZSRVMICVBZ-QGZVFWFLSA-N	315.373	1.170	50	20	DDGD	
CSSCCNS(=O)(=O)c1cn(CC(C)C)cn1	284743547	TWPHJSQOEXIPAU-UHFFFAOYSA-N	309.482	1.829	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)c1	282762306	UETHHEOSHYWKAK-DVOMOZLQSA-N	320.389	1.643	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNc1nc(O)c2ccccc2n1	289846005	UUKWDXRYAPCQMD-SECBINFHSA-N	318.333	1.368	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2COc3ccc(C)cc32)n1	371989169	YQCZBEZNXATREP-NSHDSACASA-N	315.333	1.553	50	20	DDGD	
CCSCC[C@H](C)NC(=O)NNC(=O)c1cccc(C)n1	280768455	DYPSQYWYLACIPF-NSHDSACASA-N	310.423	1.866	50	20	DDGD	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)c1cc2ccccc2o1	286369472	ADHBVQNSGABPBT-WDEREUQCSA-N	316.313	1.393	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)C1CCC1)Cc1ccccc1	296541163	AZXMOEHAYMYPFA-CQSZACIVSA-N	305.378	1.375	50	20	DDGD	
Cc1ccc(C[C@H](C)C(=O)NNC(=O)N=c2cc[nH]cc2)cc1	802029999	TYRZVJVMZVTTKT-ZDUSSCGKSA-N	312.373	1.843	50	20	DDGD	
C[C@@H]1CC(=O)N[C@H](C(=O)NNC(=O)c2cc3ccccc3o2)C1	293506413	WYEZMGCZFLWYLO-ONGXEEELSA-N	315.329	1.109	50	20	DDGD	
CC(C)=C[C@@H]1[C@H](C(=O)NNC(=O)N=c2cc[nH]cc2)C1(C)C	802028534	BEIAKRVIDIVBGA-CHWSQXEVSA-N	302.378	1.895	50	20	DDGD	
O=C(NNc1ncccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1	807301270	CWMNAFWQCYGMBX-UHFFFAOYSA-N	319.252	1.211	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)Nc1ccc(OC)cc1	802058947	RSFMHXOAHWNZQT-LLVKDONJSA-N	307.350	1.829	50	20	DDGD	
COc1ccccc1/C=C/C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	294187544	KCMHAPQBTOZRST-SIWBASNISA-N	304.346	1.423	50	20	DDGD	
CC(C)=C[C@H]1[C@H](C(=O)NNC(=O)N=c2cc[nH]cc2)C1(C)C	802028536	BEIAKRVIDIVBGA-QWHCGFSZSA-N	302.378	1.895	50	20	DDGD	
COC(=O)C(C)(C)C(=O)COC(=O)/C(C#N)=C/c1ccccc1	803483331	LWPMFKSRJRRQOM-UKTHLTGXSA-N	315.325	1.905	50	20	DDGD	
CO[C@H](Cc1ccccc1)C(=O)NNc1cc(C)nc(C)n1	295793778	KBPZUYPMEIGNFT-CQSZACIVSA-N	300.362	1.794	50	20	DDGD	
Cn1cc(Oc2ccccc2C(=O)NNc2ncccn2)cn1	801117796	KNNGTFIPLUIXIG-UHFFFAOYSA-N	310.317	1.759	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNC(=O)NCc2ccco2)cn1	808385927	YAYWYGAGKUYCTI-UHFFFAOYSA-N	317.349	1.511	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CCC(C)=O)cc1	298206255	MYCOBCNABPJQGC-GFCCVEGCSA-N	322.361	1.369	50	20	DDGD	
CC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	297488544	ANQDXOUJBUZXHK-QEJZJMRPSA-N	319.405	1.906	50	20	DDGD	
O=C(Cc1ccccc1Br)NNC(=O)CC1CC1	294323711	YLFHFJDVYQGYKC-UHFFFAOYSA-N	311.179	1.939	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)CCn2ccnc2)cc1	802121048	OYJSSHVAIKOCKG-UHFFFAOYSA-N	316.365	1.192	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNc1cccc(NC(C)=O)c1	293901790	KHHYVHSSWQUOTB-UHFFFAOYSA-N	320.393	1.785	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCC(F)(F)[C@@H](C)C2)n1	292734265	ZSQRSUWRNUTLRW-VIFPVBQESA-N	312.320	1.722	50	20	DDGD	
COc1cnc2ccccc2c1C(=O)NNC(=O)c1ccc[nH]1	801798388	VUZKPAOYZGKZJF-UHFFFAOYSA-N	310.313	1.646	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H]1CCCN1Cc1ccc(F)cc1	294115551	KCDHRGLGMKPMIR-OAHLLOKOSA-N	319.380	1.738	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@@H](C)CN(C)C)c1ccccc1	807577493	UPGOLOTUJXZNGO-JSGCOSHPSA-N	306.410	1.461	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1cnc(C2OCCO2)s1	804768479	DXLJBICYYSLOEM-UHFFFAOYSA-N	310.310	1.480	50	20	DDGD	
Cc1cnc(COCC(=O)NNc2nccnc2C2CCC2)o1	805469226	YVKRMLILEQFNDU-UHFFFAOYSA-N	317.349	1.700	50	20	DDGD	
COCCCNC(=O)NN=Cc1cc(C(=O)O)c(C)cc1C	814820131	XXFFXQHPIPLGQW-UHFFFAOYSA-N	307.350	1.671	50	20	DDGD	
COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NNc2cnnn2C)c1	816770611	FIEVJBIRZJVBMT-PWSUYJOCSA-N	317.349	1.079	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)CCc2ccccc2O)n1C	811641458	DFLHGIFQULXCIV-UHFFFAOYSA-N	315.377	1.275	50	20	DDGD	
O=C(NNC(=O)c1cc(F)c[nH]1)c1cc(-c2cccs2)[nH]n1	815887598	MDJKSHPIBXPPNW-UHFFFAOYSA-N	319.321	1.680	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CCC(C(=O)O)CC2)cc1	814768081	HQAFCDMTXWGFRA-UHFFFAOYSA-N	317.345	1.681	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2	727369103	FEUXIIBOWWBHLM-UHFFFAOYSA-N	323.305	1.173	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2cncs2)c1	825809798	AUVGEQXXQKAHQF-UHFFFAOYSA-N	306.347	1.025	50	20	DDGD	
CCCCNC(=O)NNC(=O)C[C@@H](n1cccn1)C(F)(F)F	823763549	XHZMWKNBDQQACX-SECBINFHSA-N	321.303	1.507	50	20	DDGD	
O=C(NNc1cnccn1)Nc1cccc(N2CCOC2=O)c1	494466941	CTHUXQVGYIVBKE-UHFFFAOYSA-N	314.305	1.582	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	497119899	XVYPQFXZTGVYQY-UHFFFAOYSA-N	323.714	1.140	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1c[nH]c(C(N)=O)c1	725732194	MTZIMVBMQWDJKD-UHFFFAOYSA-N	305.246	1.250	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1coc(-c2cccnc2)n1	823762789	KZTACJGGTCYXAB-UHFFFAOYSA-N	303.322	1.481	50	20	DDGD	
CC(=NNC(=O)C(N)=O)c1ccc(N2CCCCC2)c(F)c1	826823314	XUJMNDCGIDYPFM-UHFFFAOYSA-N	306.341	1.142	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC(C)C)N(C)C(=O)OC(C)(C)C	824404405	PTBUOXOXMKJRET-SNVBAGLBSA-N	316.402	1.371	50	20	DDGD	
CC(C)C(CS(=O)(=O)N(C)C)=NNC(=O)OC(C)(C)C	496044829	QTOUGISPENDAGP-UHFFFAOYSA-N	307.416	1.415	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1ccc2c(c1)CCNC2=O	824316045	FBZKMEXYDVQVED-UHFFFAOYSA-N	316.361	1.315	50	20	DDGD	
C#Cc1ccc(C(=O)NNc2nc(-c3ccccc3)no2)cn1	728969809	PVJQVNRJGSSSRQ-UHFFFAOYSA-N	305.297	1.870	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CN2CCCC2=O)cc1C	725906567	VELYTKWDHQOSJS-UHFFFAOYSA-N	320.418	1.243	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N(C)Cc1cccc(C#N)c1	827315656	SZDJUDFRSNEVCR-SMDDNHRTSA-N	316.361	1.156	50	20	DDGD	
CC(CCCCN(C)C)=NNC(=O)CNC(=O)OC(C)(C)C	495104139	HOOSSNOFWJPXII-UHFFFAOYSA-N	314.430	1.735	50	20	DDGD	
Cc1ccc([C@H](C)NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	825681793	NSEJSTIYUZYAMU-SCRDCRAPSA-N	305.378	1.811	50	20	DDGD	
CN(NC(=O)CNC(=O)C1CCCCC1)C(=O)OC(C)(C)C	497066702	UNVAHRYVWLLXTR-UHFFFAOYSA-N	313.398	1.581	50	20	DDGD	
COc1cc(CCNCc2ccc(B(O)O)cc2)ccc1Cl	585042929	HNBHQBUQXVTKAS-UHFFFAOYSA-N	319.597	1.361	50	20	DDGD	
O=C(NNc1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F	821143242	KBUKEASUEMOFSE-UWVGGRQHSA-N	322.308	1.353	50	20	DDGD	
CC(CCCCNC(=O)OC(C)(C)C)=NNC(=O)CN(C)C	496599625	JISJYLQNAACIPN-UHFFFAOYSA-N	314.430	1.735	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)Cc2cccnc2)cc1	491493030	PYUHRROYJRPUPL-RMKNXTFCSA-N	311.341	1.494	50	20	DDGD	
CCOC(=O)[C@@H](CCc1ccccc1)NNC(=O)c1ccc[nH]1	901532981	HTZYBFBPNYIVDZ-OAHLLOKOSA-N	315.373	1.814	50	20	DDGD	
CN(C[C@H](O)Cc1ccccc1)C(=O)/C(C#N)=C/c1cnn(C)c1	490968917	CSYGQAQTUWMUCZ-QLGNDSFESA-N	324.384	1.389	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCc1cc(Br)cs1	823959888	RSONNHBJESVCQD-QMMMGPOBSA-N	321.240	1.787	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)COc1ccc(C)c(C)c1	822195931	OFHKQLDCYAWDGO-CQSZACIVSA-N	308.378	1.645	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)c1ccc2nncn2c1	733810103	UOCDOKLQHPTKOR-UHFFFAOYSA-N	305.301	1.429	50	20	DDGD	
COc1ccc2c(c1)C[C@@H](C)CC2=NNC(=O)[C@@H]1CNC(=O)C1	905484032	FHMKJFYOAKFRNC-PWSUYJOCSA-N	315.373	1.234	50	20	DDGD	
COCCCN(C)CCNC(=O)[C@@]1(C)C[C@@H]1Br	906804366	WJVQITLAIBVNRP-JQWIXIFHSA-N	307.232	1.244	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1ccccc1F)c1cnn(C)c1	839461274	PZWRQPPOZUCIRJ-JTQLQIEISA-N	304.325	1.514	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNC(=O)Cc1ccccc1F	839677399	REFVIEWWNAJWTQ-LLVKDONJSA-N	310.325	1.105	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1cnn(Cc2ccccc2)c1	833385447	YVBACERRJBXOJA-UHFFFAOYSA-N	315.333	1.039	50	20	DDGD	
C[C@]1(C(=O)NCCNC(=O)c2ccco2)C[C@H]1Br	905775125	ONZWLWNHCNPLIL-SKDRFNHKSA-N	315.167	1.299	50	20	DDGD	
CN(C)CCn1cc(NC(=O)[C@@]2(C)C[C@H]2Br)cn1	906483755	OVZIZELKJVEHKK-PWSUYJOCSA-N	315.215	1.557	50	20	DDGD	
O=C(NCCOC1CCCC1)NNc1ncc(F)cc1F	837734397	TZUOUVJZPGJMNV-UHFFFAOYSA-N	300.309	1.945	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@H]1CC[C@@H](C(F)(F)F)C1	584914286	UMMKWZHOGNDFSX-DTWKUNHWSA-N	301.073	1.284	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCC2(CCCCC2)CC1	584940131	PMFNXLUTJWSIFI-UHFFFAOYSA-N	319.185	1.692	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cccc2c1ccn2C	831416992	OWMOCPPVWQXIRN-GHMZBOCLSA-N	316.361	1.756	50	20	DDGD	
CC[C@H](NCc1ccc(B(O)O)cc1)[C@@H](O)c1ccccc1F	585026415	GSRUHPGBZJYYST-IRXDYDNUSA-N	317.169	1.107	50	20	DDGD	
CC(C)c1cnc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)s1	831728883	VZUQSNZTMQWACW-RKDXNWHRSA-N	312.395	1.844	50	20	DDGD	
O=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)c1cccc(B(O)O)c1	584980526	BTNAQLHUOZJFRT-QAPCUYQASA-N	323.201	1.823	50	20	DDGD	
Cc1[nH]c2ccccc2c1C=NNC(=O)[C@H]1CCS(=O)(=O)C1	730577268	DWIFIUFJTDLWKC-NSHDSACASA-N	319.386	1.361	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCCO1)c1cc(C(=O)O)c(C)nc1C	834987330	WNKODQTXRXAFLJ-CQSZACIVSA-N	319.361	1.806	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCCO1)c1ccc(-n2cnnn2)cc1	834989762	UXBSULDFKXSTGL-CQSZACIVSA-N	314.349	1.072	50	20	DDGD	
CCC1(Cn2cc(C(=O)NNc3ncccc3C)nn2)COC1	834347910	DGYXWTRAQGWJIZ-UHFFFAOYSA-N	316.365	1.165	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCCCC(=O)O	738923196	RGDQYXSPILNVTO-UHFFFAOYSA-N	301.774	1.723	50	20	DDGD	
Cc1cc(NNC(=O)c2sccc2-c2nn[nH]n2)nc(C)n1	737281065	PCJNNPSJSLINSK-UHFFFAOYSA-N	316.350	1.092	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C(C)(C)C)N1CCc2ccccc2C1	732272511	VMKZRUPQTKCQDI-LBPRGKRZSA-N	303.406	1.627	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc(C(=O)O)c1)C1CCOCC1	833520865	JACYYVPASAHXET-SNVBAGLBSA-N	307.350	1.826	50	20	DDGD	
CC1(O)CCC(NC(=O)NNc2cccc(C(=O)O)c2)CC1	833570524	GUDYKFRULUJLMW-UHFFFAOYSA-N	307.350	1.705	50	20	DDGD	
C[C@H](NC(=O)C1CCCC1)C(=O)NNc1ncccc1Cl	734246133	VULGFMILOYBUHG-VIFPVBQESA-N	310.785	1.873	50	20	DDGD	
CC[C@@H](C)C(=O)NN=Cc1ccc(OC)c(-c2nn[nH]n2)c1	736319106	HYTQYSDMUUAFKD-SECBINFHSA-N	302.338	1.372	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CSc2ncc(C)cn2)cc1	917247323	ANWWOWAXAZQWQR-UHFFFAOYSA-N	316.386	1.647	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)CC(F)(F)F)cc1	918000806	UNNNTBMWZIVBLN-UHFFFAOYSA-N	305.256	1.478	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2cc(C)[nH]n2)c(C)c1	918688467	BVBDWQXZRSDVQF-UHFFFAOYSA-N	303.391	1.966	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cn1cnc2ccccc21)C1CCC1	837309355	KNRFYAVCDTYIDM-LLVKDONJSA-N	300.362	1.620	50	20	DDGD	
COC(=O)c1cccc(S(=O)(=O)NCCCSC#N)c1	916963923	GFFZEOKYDFSNIF-UHFFFAOYSA-N	314.388	1.356	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1c[nH]nc1-c1ccncc1	746591626	ILIFDYNAORJKDA-UHFFFAOYSA-N	302.338	1.216	50	20	DDGD	
CC[C@H](N)CNC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	842007586	QMTXQABAYOOXRF-ONGXEEELSA-N	324.450	1.554	50	20	DDGD	
Cc1sc(Cl)nc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843657836	QHWZDQMUFBVEGO-IYSWYEEDSA-N	303.771	1.291	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1ccncc1)NC(=O)OC(C)(C)C	742463675	UZKQFVBDFGHNCZ-JTQLQIEISA-N	322.365	1.146	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNc2nc(C)cc(C)n2)n1	918007731	VDUKKDKDFUJLKU-UHFFFAOYSA-N	301.306	1.032	50	20	DDGD	
Cc1ccc(-n2ncc(C(=O)NN(C)C[C@H](C)O)c2C)cc1	910174055	QFIRABILKMULJY-LBPRGKRZSA-N	302.378	1.447	50	20	DDGD	
Cc1cc(C=NNC(=O)C(=O)NC2CC2)c(C)n1CC(C)C	744828237	WOYRGIRAQKDSJK-UHFFFAOYSA-N	304.394	1.490	50	20	DDGD	
N[C@H]1CCc2ncc(NC(=O)NNC(=O)C3CCCC3)cc2C1	841320807	ANBWDTYPJSSYAI-LBPRGKRZSA-N	317.393	1.241	50	20	DDGD	
CCN(C)C(=O)COC(=O)/C(C#N)=C/c1ccc(OC)cc1	746541712	NJKXBFIDMRHTCV-UKTHLTGXSA-N	302.330	1.624	50	20	DDGD	
C[C@H](CCCCN)NC(=O)NNC(=O)c1cccc(N(C)C)c1	841993470	DRLRXIURGFEXNI-GFCCVEGCSA-N	321.425	1.214	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)[C@H]1CCCCO1)C(=O)N2C	844601306	RONFYYPYLDLBDS-CYBMUJFWSA-N	317.345	1.061	50	20	DDGD	
N#CC1(CNC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCC1	842196096	FGLRTKLLPDYUSX-UHFFFAOYSA-N	317.305	1.233	50	20	DDGD	
CCc1ncncc1C(=O)NNc1oc(C(C)C)nc1C#N	746526216	WLQSKODBZSPPFR-UHFFFAOYSA-N	300.322	1.779	50	20	DDGD	
O=C(NN=Cc1cccc(OC2CCCC2)c1)C(=O)NC1CC1	917541710	MKGKDJQZCZTFFS-UHFFFAOYSA-N	315.373	1.737	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccnn2CC(C)C)nc1	843841663	AOBYIQBUWMSXEL-UHFFFAOYSA-N	317.349	1.478	50	20	DDGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)OC(C)(C)C	844091163	CUVCGDZRHPZIJU-OTAKNEKHSA-N	318.377	1.564	50	20	DDGD	
NC(=O)c1ccc(C=NNC(=O)c2ccc3c(c2)OCO3)cc1	915940612	AHRLERDYSWCRME-UHFFFAOYSA-N	311.297	1.278	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@@H](CN)C1CCCC1	841988963	XKRCCKLRCKJFFA-HNNXBMFYSA-N	318.421	1.385	50	20	DDGD	
C[C@H](N)CNC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	841988193	ZPNPLBPDZYRXCC-BDAKNGLRSA-N	310.423	1.164	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2cccc(C#N)c2)[C@@H](C)[C@@H]1C	841578610	QYYBHABYOLDNJV-UTUOFQBUSA-N	300.362	1.889	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)NCC[C@@H]1CCNC1	841938187	JHIWSFRIVODENC-LBPRGKRZSA-N	324.812	1.213	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNc2nccc3sccc23)C1	746294696	ZOYCOFHIWHMUNR-SNVBAGLBSA-N	318.402	1.998	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCCCC2)N[C@@H]1CCNC1	841939369	PHEGMVXZAREDEK-LLVKDONJSA-N	322.434	1.323	50	20	DDGD	
O=C(NCc1noc(-c2cccs2)n1)NNc1ncccn1	745281629	UWEDAKNQHNSWAK-UHFFFAOYSA-N	317.334	1.414	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2CCC(=O)C2)c1C	843755105	AOLFZSKJBWVJEG-CHWSQXEVSA-N	318.373	1.587	50	20	DDGD	
COC(=O)c1cc(NNC(=O)N[C@H]2CC[C@H](CN)C2)ccc1F	842009623	DBAYDVKDJMPFEM-UWVGGRQHSA-N	324.356	1.366	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cnn(C)c2)cnc2ccccc12	748713034	JKCLCXFYMIUBQL-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
Cc1c(C(=O)NN(C)C2CC2)nnn1-c1ccc(F)c(F)c1	843909211	VQQNTRWGOMEIPW-UHFFFAOYSA-N	307.304	1.593	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cccc(C2CC2)c1	847518201	NHRDKLJEAIMFRP-UHFFFAOYSA-N	317.389	1.630	50	20	DDGD	
CCCC(=O)N1CCC[C@@H]1C(=O)NNc1cccnc1Cl	840479304	IVBSVCFCAMNPPV-LLVKDONJSA-N	310.785	1.969	50	20	DDGD	
C[C@@H](N(C)CC(=O)NNC(=O)c1cccc(C#N)c1)C(C)(C)C	756486436	BTQFVMFLZFEBOM-GFCCVEGCSA-N	316.405	1.686	50	20	DDGD	
CC(C)(C)n1nnc(C=NNC(=O)c2cc3ccccc3o2)n1	853316606	VKAMGBSMOHVSHV-UHFFFAOYSA-N	312.333	1.938	50	20	DDGD	
CNC(=S)N(C)NC(=O)C(C)(C)Oc1cccc(Cl)c1	854924549	YDCVMGVJIDMMSO-UHFFFAOYSA-N	315.826	1.965	50	20	DDGD	
CC(C)[C@H](CNC(=O)NC[C@@]1(C)C[C@@H]1Br)C(=O)O	857101339	TZEROHVDWQGRAA-HOTUBEGUSA-N	321.215	1.816	50	20	DDGD	
O=C(Cc1ccncc1)NN=Cc1cc(O)ccc1[N+](=O)[O-]	751133126	LUCKVJTWAYNEET-UHFFFAOYSA-N	300.274	1.388	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@]2(C)C[C@@H]2Br)cn1	857734626	UPQDAGFUHMPIRO-KOJRAIPOSA-N	323.194	1.617	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCN(OC)CC2)cc1	854862626	LTXOLTAHDGZGEY-QINSGFPZSA-N	315.373	1.698	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@H]2C=NNC(=O)c2cc[nH]n2)cn1	853391648	VGAHDDYYAPNIEI-GXFFZTMASA-N	302.338	1.027	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C1(OC)CCCC1	754155915	LMRIDPUZRFABKD-UHFFFAOYSA-N	322.361	1.181	50	20	DDGD	
COC[C@]1(C)NC(=O)N(CCO[Si](C)(C)C(C)(C)C)C1=O	853661886	DALRSTGAFAOIKP-AWEZNQCLSA-N	316.474	1.965	50	20	DDGD	
CN1C[C@@H](C(=O)NCCCSC#N)c2ccccc2C1=O	854359737	UJOHLCLGTHVPGB-CYBMUJFWSA-N	303.387	1.576	50	20	DDGD	
COCC[C@H](NC(=O)NNC(=O)c1cn[nH]c1)c1ccc(C)o1	858351003	LXEPWXSUSASGSA-NSHDSACASA-N	321.337	1.033	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CCCC23OCCO3)C[C@@H]1Br	857387819	NDRDMTAPCCXEGD-JBLDHEPKSA-N	318.211	1.819	50	20	DDGD	
C[C@@]1(CNC(=O)CCOC2CCOCC2)C[C@@H]1Br	857393954	NVZIAEZGZHAHGB-AAEUAGOBSA-N	320.227	1.862	50	20	DDGD	
CNC(=S)N(C)NC(=O)COc1cccc(Cl)c1C	854923705	GFFLKOOURIMOQY-UHFFFAOYSA-N	301.799	1.495	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc(F)c(C)c1	854280905	ILONRDFIIIZEFM-UHFFFAOYSA-N	313.398	1.622	50	20	DDGD	
CCOc1ncccc1C(=O)NNC(=O)OCC(F)(F)F	856024705	GQLQPOCLGFOBKN-UHFFFAOYSA-N	307.228	1.414	50	20	DDGD	
CC(=O)N1CC[C@@H](NC(=O)NNc2cc(Cl)ccc2C)C1	923372364	GHPCRLGBFVZJEU-GFCCVEGCSA-N	310.785	1.895	50	20	DDGD	
NC(=O)[C@H]1CSCCN1C[C@@H](CBr)C1CC1	859221702	XYYFNYCJCMHPDL-NXEZZACHSA-N	307.257	1.310	50	20	DDGD	
N#Cc1ccccc1C=NNC(=O)COc1ccccc1C#N	755540123	FJCFASAFSRUZMQ-UHFFFAOYSA-N	304.309	1.959	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)NCC(=O)NNC(=O)c1ccccc1	754157672	JHQQPRIJOFSQPF-SNVBAGLBSA-N	316.361	1.403	50	20	DDGD	
Cc1nnc(CN(C)C(=O)NC[C@@]2(C)C[C@@H]2Br)o1	856892306	DSFMTDKPXALUBR-GZMMTYOYSA-N	317.187	1.693	50	20	DDGD	
CC(C)NC(=O)Nc1cccc(C(=O)NNc2ccncn2)c1	857520460	XYZRBXQPLRXZNE-UHFFFAOYSA-N	314.349	1.763	50	20	DDGD	
CC(=O)c1ccc(CC(=O)NNc2ncccc2[N+](=O)[O-])cc1	759291099	JYXWPDHJAOUSIV-UHFFFAOYSA-N	314.301	1.878	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)C2CC2)cc1-c1ccc(F)cc1	929232416	QSIJCYIJEVDTSP-UHFFFAOYSA-N	302.309	1.397	50	20	DDGD	
CCn1nccc1C=NNC(=O)[C@@H](C)CN1CCC(C)CC1	753696680	ZHRLCLOGMOGHLU-AWEZNQCLSA-N	305.426	1.721	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2cncn2C1)NC1CCCCC1	854192008	DHTQICWEZFNUTL-LLVKDONJSA-N	305.382	1.109	50	20	DDGD	
CCOc1ccc(C=NNC(=O)NCCCOC)cc1OC	920833006	BQKSLDWAWLMJOS-UHFFFAOYSA-N	309.366	1.764	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ncc2ccccc2c1O	854682723	GBRQVDHNUOUWCJ-GFCCVEGCSA-N	315.329	1.271	50	20	DDGD	
CN(C)CC(C)(C)NC(=O)NC[C@]1(C)C[C@@H]1Br	856959985	KNBGGHVPGPHZQN-CABZTGNLSA-N	306.248	1.799	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)C[C@H]2CCCC[C@H]2C)n1	920430163	NEEPKUZAPZJFKK-BXUZGUMPSA-N	306.410	1.864	50	20	DDGD	
CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)NNc1ccccn1	852692154	PGTRISHAUFPPPM-ABAIWWIYSA-N	306.366	1.830	50	20	DDGD	
O=C(NCC1CC2(C1)OCCO2)NNc1ncc(F)cc1F	927095683	VGDWCASJPWYGOE-UHFFFAOYSA-N	314.292	1.139	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)OCCCNC(C)=O)cc1	920498169	BOJZVQMPRPQZKI-GXDHUFHOSA-N	302.330	1.672	50	20	DDGD	
CN(CC(=O)NC[C@]1(C)C[C@@H]1Br)[C@@H]1CCSC1	857393924	JRLPFHFADZVNMN-SCVCMEIPSA-N	321.284	1.713	50	20	DDGD	
COc1cc(CCC(=O)NC[C@]2(C)C[C@@H]2Br)on1	857389696	QCJBJURNVNCZBX-CABZTGNLSA-N	317.183	1.906	50	20	DDGD	
CO[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1cccc(F)n1	852396618	ANCSIUUZNVFMGC-MWLCHTKSSA-N	310.329	1.122	50	20	DDGD	
CCC(=NNC(=O)CCc1ccccc1O)c1nccn1C	755698622	MHTNGQIIFQPESZ-UHFFFAOYSA-N	300.362	1.989	50	20	DDGD	
COC[C@H](C)OC[C@H](O)CNC[C@@]1(C)C[C@@H]1Br	857240398	JRZICBLTGDQELA-WHOHXGKFSA-N	310.232	1.162	50	20	DDGD	
CCn1ccc(CC(=O)NC[C@]2(C)C[C@H]2Br)n1	857385427	HVZGEEGFBZYUOU-PWSUYJOCSA-N	300.200	1.735	50	20	DDGD	
C[C@H]1C(=NNC(=O)c2cccc(C(=O)O)c2)CC[C@H]1CC(=O)O	853426331	LXFFAKSIZJNVAN-ZJUUUORDSA-N	318.329	1.991	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NN=Cc2[nH]cnc2C)n[nH]1	755787700	DZUKDJHCRWASAA-UHFFFAOYSA-N	324.344	1.881	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCc1cccc(OC)c1OC	854928401	XPEUQYOLJFTBPE-UHFFFAOYSA-N	311.407	1.104	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H]1C[C@@H](OC)C1(C)C	753426160	VBUWNTPISVKCPI-CHWSQXEVSA-N	321.377	1.453	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)c2c(C)nc3ccccn23)O1	756906429	FOBJFNBQCWHEGA-NEPJUHHUSA-N	316.361	1.361	50	20	DDGD	
CC[C@@](C)(O)C(=O)NNC(=O)c1c(Cl)cccc1Cl	931799909	QOTGOKCCSJSSEI-GFCCVEGCSA-N	305.161	1.915	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1ccc2c(c1)C(=O)NCCO2	935999851	CJQPGLHREXOREZ-UHFFFAOYSA-N	317.172	1.685	50	20	DDGD	
Cc1cccc(NNC(=O)C(=O)Nc2cnn(CC3CC3)c2)n1	861961389	ZUWKRVBSVQTJIR-UHFFFAOYSA-N	314.349	1.078	50	20	DDGD	
Cc1nc([C@H]2CCOC2)sc1C(=O)NNC(=O)NC(C)C	865042896	ZXKDFZJOYSWCKD-VIFPVBQESA-N	312.395	1.308	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cc2n(n1)CCCO2	863100507	WKKSKUPCTKUNKF-UHFFFAOYSA-N	314.214	1.098	50	20	DDGD	
CC(=O)NC[C@H]1CCCCN1S(=O)(=O)CC(C)(C)CCl	867568474	LCCRIHCBOIRUPZ-GFCCVEGCSA-N	324.874	1.572	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](C)c1c(C)nn(C)c1C	764463789	JKOVFTQSVVCVSH-MRVPVSSYSA-N	304.354	1.082	50	20	DDGD	
CC(C)C[C@@H]1C(=O)NCCN1S(=O)(=O)CC(C)(C)CCl	867155341	UOAXTVZCJVZBRB-LLVKDONJSA-N	324.874	1.428	50	20	DDGD	
CC(C)c1[nH]nc(C(=O)NNc2ncc(F)cn2)c1[N+](=O)[O-]	760907890	GOBPIUCRMYRHGR-UHFFFAOYSA-N	309.261	1.127	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1	765413143	COGJUPZSTIMULZ-NSHDSACASA-N	308.338	1.514	50	20	DDGD	
COc1cc(C=NNC(=O)c2cc(C)[nH]n2)cc2c1OCO2	764795673	XDANDNVYYIWWGD-UHFFFAOYSA-N	302.290	1.219	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H](C1CC1)[C@@H](CO)C1CC1	867353379	STWZVYWIGZVJPQ-STQMWFEESA-N	323.886	1.968	50	20	DDGD	
C[C@@H](c1ccccc1F)[C@H](O)C(=O)NNC(=O)NC1CCCC1	865038034	HSRNJBJQXHSRAP-HZMBPMFUSA-N	323.368	1.563	50	20	DDGD	
COCCCNC(=O)NNC(=O)/C=C\CCc1ccccc1	865016546	LYBSGHMNURZMQX-WDZFZDKYSA-N	305.378	1.542	50	20	DDGD	
CC[C@H](C)n1nc(NC(=O)C(=O)NNC(=O)C(C)(C)C)cc1C	761072428	SQABBLLYDFWSDL-VIFPVBQESA-N	323.397	1.295	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NCc1c(C)cccc1C	767199764	JGHXUGPYAWXCNF-CYBMUJFWSA-N	323.393	1.185	50	20	DDGD	
CO[C@](C)(C(=O)NNc1cccc(C)n1)C(=O)OC(C)(C)C	862518328	PTESDXOJKPFZJS-OAHLLOKOSA-N	309.366	1.580	50	20	DDGD	
C[C@H](NC(=O)NNc1nncc(N)c1Cl)c1cccnc1	1116301069	ROBRYCZRQQLSKO-ZETCQYMHSA-N	307.745	1.495	50	20	DDGD	
CCc1nn(C)c(Cl)c1C(=O)NNc1ncnc2[nH]cnc12	768403846	ZRXANPOCMFBUDO-UHFFFAOYSA-N	320.744	1.059	50	20	DDGD	
CN(NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1)C1CC1	862037615	LXPQADVPVRAXKS-SECBINFHSA-N	309.316	1.443	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C	766243114	ZRAHSAXSQURJHW-UHFFFAOYSA-N	310.310	1.401	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cnc(F)cc2C)n1	879172473	FGEHCUSEJMMWJH-UHFFFAOYSA-N	318.356	1.922	50	20	DDGD	
CN1CCCC[C@H](C(=O)NNc2nc3ccccc3n2C)C1=O	879948343	BZBCWOJIHUIBGZ-LLVKDONJSA-N	315.377	1.275	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CCc2nc[nH]n2)cc1C	873764017	RXVTZBRLTUSVTR-UHFFFAOYSA-N	318.406	1.372	50	20	DDGD	
CC(F)(F)CNC(=O)NNC(=O)c1nc2ccccc2s1	873022417	AZDQYTQLRZUTCA-UHFFFAOYSA-N	314.317	1.896	50	20	DDGD	
CCNC(=O)NN=Cc1ccc(OC)c(Cn2cccn2)c1	872345413	QFKDZJBGPTUNAY-UHFFFAOYSA-N	301.350	1.593	50	20	DDGD	
O=C(CNC1(c2ccccc2)CC1)NNC(=O)c1cccs1	777722892	XGFWSDIPCRYBJF-UHFFFAOYSA-N	315.398	1.788	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2c(F)cccc2F)nn1C	773713177	GSHGBLAAWQBDCM-UHFFFAOYSA-N	309.276	1.089	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NOC1CCCCC1	777717457	OAYZKDXMJBMCCF-UHFFFAOYSA-N	309.341	1.963	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CC2OCCO2)c(C)c1	873759009	DFFIUCFYBYEBMG-UHFFFAOYSA-N	309.391	1.384	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1ccc(-n2cccn2)cc1	874104132	WNBLSSXPIYPBDG-UHFFFAOYSA-N	322.372	1.987	50	20	DDGD	
COc1cc(C=NNC(=O)c2c[nH]nc2C)ccc1[N+](=O)[O-]	770604612	CGVHGJQQVLUUOD-UHFFFAOYSA-N	303.278	1.399	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(NC(=O)OC)c(F)c1	879150671	MZXJIMPYPVHNJB-UHFFFAOYSA-N	314.317	1.619	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(Cl)c[nH]1	771962767	IEPFKWRSXXZBPA-MRVPVSSYSA-N	315.757	1.407	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)C1(OC)CCCC1	873769567	SYLLDWYMUIHZHX-UHFFFAOYSA-N	323.418	1.972	50	20	DDGD	
CC1=CCC[C@H](C)[C@@H]1C=NNC(=O)CNC(=O)c1cccnc1	773203861	XTABMVQNDFNTLM-DZGCQCFKSA-N	314.389	1.906	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2(C)COC(C)(C)OC2)c(O)c1	775602387	CXMAVLBAAUHSKU-UHFFFAOYSA-N	322.361	1.251	50	20	DDGD	
O=C(CCSc1ccc(F)cc1)NNC(=O)c1ccncn1	778298185	LGMYCUWNCSLDON-UHFFFAOYSA-N	320.349	1.559	50	20	DDGD	
O=C(NNC(=O)c1ccc(-c2cncnc2)cc1F)NC1CC1	773785686	HORDXEVDVPVSCH-UHFFFAOYSA-N	315.308	1.389	50	20	DDGD	
C#CC[C@H](N[C@@H](C)C(=O)NNC(=O)CC(C)C)c1ccccc1	775400402	ZSEKQGXGPYFBMY-HOCLYGCPSA-N	315.417	1.923	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)C(=O)Nc1ccc(F)cn1	773663321	ASNCNLPIJHGOKR-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
CC(=NNC(=O)CNc1ccccc1F)c1cnn(C)c1C	778539384	ZTYUEFBNZGPUHK-UHFFFAOYSA-N	303.341	1.820	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@H](O)Cc1ccccc1Cl	773517402	PRNHRGGHWXYONU-LLVKDONJSA-N	310.716	1.316	50	20	DDGD	
CC(C)C(=O)NNC(=O)CC[C@H]1[C@H](C)n2nccc2N[C@@H]1C	1123574183	FZZFEXGKFXJYCI-GRYCIOLGSA-N	307.398	1.458	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2c[nH]nc2C2CC2)n1	789905041	XBBQYKJHFIXAQD-UHFFFAOYSA-N	315.381	1.680	50	20	DDGD	
COc1ccc2[nH]c3c(c2c1)CC(=NNC(=O)CN(C)C)CC3	782225949	KPXJFBJXDVVZFG-UHFFFAOYSA-N	314.389	1.699	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H](C)C2=CCN(C)CC2)n1	781395601	QSSJULYKPCVUMS-LLVKDONJSA-N	320.397	1.070	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(OC(C)C)c1	787545785	VPQGIKGYNZEIPJ-UHFFFAOYSA-N	307.350	1.278	50	20	DDGD	
COc1ccccc1[C@H](CO)NS(=O)(=O)CBr	782459950	UGZKDBINWXFDBP-VIFPVBQESA-N	324.196	1.000	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)Cc2cccc3ccccc23)CO1	784038691	JPUJBYYEIOABSV-WFASDCNBSA-N	312.369	1.955	50	20	DDGD	
CCOC(=O)C1(CC(=O)NNc2nc(C)cc(C)n2)CCC1	789736275	GETKXMHIPJPCDU-UHFFFAOYSA-N	306.366	1.660	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NNc1ccc(C#N)cn1	899661893	IXGIZRZJXXGLOA-UHFFFAOYSA-N	318.768	1.762	50	20	DDGD	
CC[C@H](C)[C@@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	780235611	CFMHOAZOORKCPD-QWHCGFSZSA-N	320.389	1.981	50	20	DDGD	
Cc1cccc([C@H](CC(=O)N2CC=C(C#N)CC2)NC(N)=O)c1	780685932	LVJYSHOFXDGCNB-HNNXBMFYSA-N	312.373	1.777	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1ccc2ncccc2c1	784796947	VCCODKXVTJPOCA-UHFFFAOYSA-N	307.313	1.712	50	20	DDGD	
Cc1nnc(NNC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)nc1O	782111601	IWEZEOLZUIJCHH-MNOVXSKESA-N	309.370	1.170	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ccc(OC)nc1	780729950	RKKCDYUHWHHMNE-UHFFFAOYSA-N	301.302	1.634	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@H](CC)[C@@H](C)O)cc1OC	789938519	COYCTIJDYFSICY-ZYHUDNBSSA-N	324.377	1.262	50	20	DDGD	
O=S(=O)(CBr)N1CCc2cccc(F)c2C1	272771771	FLLNHNRMLZHLNP-UHFFFAOYSA-N	308.172	1.866	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@H]1CCNC(=O)C1	798142442	QUCJRCMHSXSCBW-QMMMGPOBSA-N	311.773	1.223	50	20	DDGD	
Cc1cc(C(=O)N2CC[C@H](B(O)O)C2)ccc1Br	585065682	JLGWDSPOOPIEMT-JTQLQIEISA-N	311.972	1.446	50	20	DDGD	
OB(O)[C@@H]1CCN(Cc2cc(Br)ccc2F)C1	585077797	YFXRHNQYNOHLSD-SECBINFHSA-N	301.952	1.637	50	20	DDGD	
COCc1ncc(C(=O)NNC(=O)NCc2ccco2)s1	795588539	VYJUCEVTCROKFR-UHFFFAOYSA-N	310.335	1.027	50	20	DDGD	
COc1ccc([C@@H]2C[C@H]2NC(=O)NNc2ccc(C)nn2)cc1	793245195	JFWMQMKMWWAMBS-UONOGXRCSA-N	313.361	1.976	50	20	DDGD	
O=C(NNc1cccnn1)c1nc(Br)ccc1F	792315969	KKPWZLJLDSIXMT-UHFFFAOYSA-N	312.102	1.530	50	20	DDGD	
C=CCNC(=S)NNC(=O)/C=C(\C)Cc1ccccc1OC	798306346	YEDIYCWOZSTJPT-VAWYXSNFSA-N	319.430	1.865	50	20	DDGD	
CC(C)n1nccc1C=NNC(=O)c1cc([N+](=O)[O-])ccc1O	794515140	JBHPPAZKLNVRBG-UHFFFAOYSA-N	317.305	1.842	50	20	DDGD	
N#C/C(=C/c1cnc(N2CCCC2)nc1)C(=O)[C@H]1CCCOC1	794952589	GLERTPVVLGUXDN-QDECMSLZSA-N	312.373	1.979	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H](C)c2cccc(C#N)c2)n1	792968678	XKGQGPKVXBYKQY-LBPRGKRZSA-N	323.356	1.967	50	20	DDGD	
COc1cc(NNC(=O)CCCn2cncn2)ccc1Cl	790169200	XIHHRBBZCHGGFC-UHFFFAOYSA-N	309.757	1.864	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCc2cccc(F)n2)n1	793010738	RWPPSUASHJOYQJ-UHFFFAOYSA-N	303.297	1.068	50	20	DDGD	
COC(=O)N(C)N=Cc1cc(O)c(O)c(Br)c1	794962222	NEXGTCPXVMLSRL-UHFFFAOYSA-N	303.112	1.892	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1[nH]nnc1-c1ccccc1	797759448	BQJSQRYAWXACPR-UHFFFAOYSA-N	320.316	1.271	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)N[C@@H]1CCN(CCOC)C1	799587799	IIMUPLXYKLQGCI-OAHLLOKOSA-N	320.437	1.904	50	20	DDGD	
COC(=O)N(C)N=C(C)c1ccc(O)c(CN2CCOCC2)c1	794958297	UNGZAVGORNNMCK-UHFFFAOYSA-N	321.377	1.647	50	20	DDGD	
COc1ccc(C=NNC(=O)C[N+](C)(C)C)cc1OCC(C)C	1318440869	HVCUCAICSXIJEC-UHFFFAOYSA-O	322.429	1.886	50	20	DDGD	
CCc1cc(OCC(=O)NNC(=O)NC2CC2)ccc1Cl	1317992148	QNSRSMZFWCGLNG-UHFFFAOYSA-N	311.769	1.774	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccc(N)cc2Cl)n1	1327705994	JRQWHCMIJAIHOT-UHFFFAOYSA-N	305.769	1.886	50	20	DDGD	
CC[C@H](C)CN(C)C(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1328548079	QZCVLHYMGYDLSU-CWSCBRNRSA-N	319.243	1.781	50	20	DDGD	
Cc1c(NNC(=O)COCc2ccncc2)cccc1[N+](=O)[O-]	1324045464	IKHZSXYOOODMTH-UHFFFAOYSA-N	316.317	1.958	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc([N+](=O)[O-])ccc1F	1328615629	LJJFOKMKUVRTKK-UHFFFAOYSA-N	300.315	1.251	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccncc1)c1ccc(F)cc1F	1320356817	FEOWAMZZXCNHOZ-VIFPVBQESA-N	305.284	1.925	50	20	DDGD	
CCC(=NNC(=O)C[N+](C)(C)C)c1cccc(OC)c1OC	1335857173	DCKRRWMDQMVMQJ-UHFFFAOYSA-O	308.402	1.640	50	20	DDGD	
CC1(C)CC[C@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)C1	1254422365	GTHDLYWNYJYPSN-JTQLQIEISA-N	304.394	1.876	50	20	DDGD	
CC[C@@H](CC(F)(F)F)NC(=O)NNC(=O)c1cccnn1	1331939168	NOCSTCPVLIRQCJ-ZETCQYMHSA-N	305.260	1.152	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2cccnc2N(C)C)CC1	1261128274	LNNMAGCZNHLLTQ-UHFFFAOYSA-N	317.437	1.720	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccnc(-c2ccccc2)n1	1346761878	CYNXLOZKLDKXJH-UHFFFAOYSA-N	311.345	1.498	50	20	DDGD	
C[C@@](C#N)(CC(=O)O)C(=O)OC[C@H](CBr)C1CC1	1602781522	BABZRFYJWNMFGU-CABZTGNLSA-N	318.167	1.955	50	20	DDGD	
Cc1cc(C(=O)O)oc1C(=O)NNC(=O)c1ccc(Cl)nc1	1607602784	FMYLNWMDOLAJPM-UHFFFAOYSA-N	323.692	1.409	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)O)CC1	1601057714	CRAZUZYLKSPAHS-UHFFFAOYSA-N	317.326	1.101	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)NCc2ccncc2)cc1	1602128637	XZYVHJSSZSRHMQ-UHFFFAOYSA-N	300.318	1.535	50	20	DDGD	
O=C(O)COc1cccc(C(=O)NNC(=O)c2ccccc2)c1	1606291560	QKKPHTOCVNBFLO-UHFFFAOYSA-N	314.297	1.225	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCCCC[C@@H]2C(=O)O)cn1	1600946003	KCOLFWFFKBXSMN-BWODNOAJSA-N	302.334	1.183	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1cccc(-c2nn[nH]n2)c1	1609073655	GCBFNCRZTCXYSL-UHFFFAOYSA-N	303.326	1.066	50	20	DDGD	
CC(C)OC1CC(=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	1603347879	ULKZRLZYHBIOMZ-UHFFFAOYSA-N	314.349	1.540	50	20	DDGD	
O=C(/C=C\C1CCOCC1)NNc1ccc(C(=O)O)cc1F	1601234183	XPXZJYCLWWZFHB-RJRFIUFISA-N	308.309	1.950	50	20	DDGD	
N#Cc1ccc(NC(=O)NNc2ccc(C(=O)O)c(F)c2)nc1	1608208192	ITZSIFHWYHPPBY-UHFFFAOYSA-N	315.264	1.939	50	20	DDGD	
Cc1nn(C(C)C)cc1C(=O)NNc1ncccc1C(=O)O	1605434621	YJGAROMUQVPSDM-UHFFFAOYSA-N	303.322	1.623	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cncn2-c2ccccc2)nc1	1608904929	PWLVIXBLNAJBPN-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)C1CC(F)(F)C1	1607139762	CREOVRUSZYRSCR-UHFFFAOYSA-N	300.261	1.882	50	20	DDGD	
C[C@]1(C(=O)NC[C@@H]2C[C@@H]3CC[C@H](C2)N3)C[C@@H]1Br	1576342216	RHZKUGYCKBBDHN-FBUUZDRASA-N	301.228	1.807	50	20	DDGD	
Cc1cc(F)c2c(c1)N[C@H](C(=O)NNC(=O)c1ccc[nH]1)C2	1579611511	UVJCWQICYDWKMF-ZDUSSCGKSA-N	302.309	1.260	50	20	DDGD	
C[C@H](CC(=O)O)NC(=O)NNC(=O)c1ccc2ccccc2c1	1589001932	PLJKHNUPEVLDON-SNVBAGLBSA-N	315.329	1.647	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cc(F)c(C(=O)O)c(F)c1	1594866488	MXPWPHMPCCDUIQ-LURJTMIESA-N	315.276	1.862	50	20	DDGD	
O=C(NN=C1COC2(CCC2)C1)c1ccc(-c2nn[nH]n2)cc1	1593155199	FKAOBPVPVHEMEX-UHFFFAOYSA-N	312.333	1.296	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@@H](C)CC(=O)O)c(F)c1	1598984172	HQLVXSIRNCLBSY-MRVPVSSYSA-N	312.297	1.556	50	20	DDGD	
Cc1ccc(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)cn1	1592144582	PWHHGRAFRCSLCV-UHFFFAOYSA-N	307.317	1.334	50	20	DDGD	
COCc1cc(NC(=O)NNC(=O)C2CC2)cc(C(=O)O)c1	1599285826	IRFAZGINCLEFKH-UHFFFAOYSA-N	307.306	1.094	50	20	DDGD	
C[C@H]1CCCN(C(=O)C(=O)NNc2cccc(C(=O)O)c2)C1	1594379613	WDNQHQGJFYRMDL-JTQLQIEISA-N	305.334	1.086	50	20	DDGD	
O=C(O)CCOc1ccc(C=NNC(=O)c2cccnn2)cc1	1776103733	XJTLDUQOYAUPKQ-UHFFFAOYSA-N	314.301	1.094	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NN=Cc1ccc(OCCC(=O)O)cc1	1776102383	OLKJPOKODLIUQK-KBPBESRZSA-N	320.345	1.415	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1csc(C(=O)O)c1	1776120874	YBFVLMFZFQOUQB-IZZDOVSWSA-N	308.359	1.896	50	20	DDGD	
Cc1ccn2cc(C(=O)NNC(=S)NC(C)(C)C)nc2c1	15758756	GTMNJOLEBKACPJ-UHFFFAOYSA-N	305.407	1.550	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NNc1nc(C(F)(F)F)cs1	152962411	NGBXSNGOTKPWQS-CRCLSJGQSA-N	309.269	1.414	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)c1c(C)nc2ccccn12	152192061	PLGPYVMVPUATLR-SNVBAGLBSA-N	304.350	1.219	50	20	DDGD	
COCCOCCC(=O)NNc1ccccc1Br	153583996	JVRGEISMERYIGY-UHFFFAOYSA-N	317.183	1.945	50	20	DDGD	
C[C@@H](Cc1cccc(F)c1)C(=O)NNc1ccc(C(N)=O)nn1	154278371	GHVURSHCXPMOTE-VIFPVBQESA-N	317.324	1.037	50	20	DDGD	
CC(=O)N[C@H](C)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	6524303	ZFWBGFQUZCHBJJ-BTLRFMJDSA-N	321.421	1.265	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1cc(F)cc(F)c1	7764909	KLRSODRMRCPMDM-UHFFFAOYSA-N	324.258	1.944	50	20	DDGD	
O=C(NNC(=O)c1ccccc1N1CCCC1=O)c1ccccn1	7909917	OVFWKLLEOGZRFQ-UHFFFAOYSA-N	324.340	1.283	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)c(O)c1	101648243	MFCSJHUMYZCVBP-AVGNSLFASA-N	319.405	1.723	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)Cc1cc[nH]n1)c1ccc(F)cc1	106416557	NQYAOZNZKNQQCC-SNVBAGLBSA-N	304.325	1.433	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCN(CC)C2CC2)cc1	102069053	MILSCPJXDPZBJP-UHFFFAOYSA-N	318.421	1.677	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cc2ccccc2[nH]c1=O	10889779	UATPODYIMMSONJ-UHFFFAOYSA-N	303.318	1.698	50	20	DDGD	
CCOc1ncc(C(=O)NNC(=O)c2cccn2C)cc1Cl	112269733	FOCFVWGCFSSXCC-UHFFFAOYSA-N	322.752	1.547	50	20	DDGD	
NC(=O)c1c[nH]c(C(=O)NNC(=O)c2cccc3ccccc23)c1	176862433	RRZRTKCQBWWCEE-UHFFFAOYSA-N	322.324	1.342	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CNC(=O)c1ccco1)c1cccs1	119138322	MOJZYBKHSBMZLO-VIFPVBQESA-N	321.358	1.022	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2ccccc2[N+](=O)[O-])c1	119173447	XGRZAVMVAHWFQR-UHFFFAOYSA-N	314.301	1.985	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCCCn1ccnc1	64885486	KHNNEEGKFJAASX-UHFFFAOYSA-N	315.377	1.236	50	20	DDGD	
NC(=O)c1ccc(OCC(=O)NNc2ccc(F)cc2F)cc1	113431593	HDNWBBNGGPRAAL-UHFFFAOYSA-N	321.283	1.586	50	20	DDGD	
CCCCN(C)CCNC(=O)NNc1cccc([N+](=O)[O-])c1	112465981	RZTOXLSLHJGERJ-UHFFFAOYSA-N	309.370	1.953	50	20	DDGD	
Cc1cccc(C(=O)NNC(=S)NCCc2cccs2)n1	25648175	FIDKFIKYVKPJPS-UHFFFAOYSA-N	320.443	1.803	50	20	DDGD	
O=C(NCCc1ccc(Cl)nc1)NNC(=O)c1ccc[nH]1	119246505	RUARNKBFBXDLTF-UHFFFAOYSA-N	307.741	1.250	50	20	DDGD	
CN(C)[C@@]1(C(=O)NCC(Cl)Cl)COc2ccccc2C1	1347065767	KFBKLULDNLOSCN-CQSZACIVSA-N	317.216	1.842	50	20	DDGD	
COCCCNC(=O)NNC(=O)COc1ccc(C(C)C)cc1	65207452	WWUYFEWBUQDOAP-UHFFFAOYSA-N	323.393	1.556	50	20	DDGD	
COc1ccccc1NCC(=O)NNc1cc(Cl)nc(N)n1	121663958	KCRASYIILKQREE-UHFFFAOYSA-N	322.756	1.276	50	20	DDGD	
O=C(NNc1ccncc1)c1cn(Cc2cccs2)nn1	180486287	WTOXGAHVCHHSOL-UHFFFAOYSA-N	300.347	1.540	50	20	DDGD	
N#Cc1cccc(NNC(=O)NCCCC(=O)NC2CC2)c1	121310598	SJVJTXQTURLHGF-UHFFFAOYSA-N	301.350	1.243	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CSC[C@H](C)CO	121189980	ZNLHCMKJFYADJN-LLVKDONJSA-N	310.419	1.047	50	20	DDGD	
CC(C)OCCC(=O)NNC(=O)Cc1nc2ccccc2n1C	78465405	HGWINWGLPUMERF-UHFFFAOYSA-N	318.377	1.078	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2cccc(C)c2C)n1	181519370	ABOWLPZLFYKNAQ-UHFFFAOYSA-N	314.345	1.789	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2scnc2C2CCCC2)cn1	184919044	NIWDQJVPKIYIBK-UHFFFAOYSA-N	319.390	1.609	50	20	DDGD	
COC(=O)CSCCNC(=O)/C(C#N)=C\c1ccc(F)cc1	182641844	KFLLJVXGCZBFIM-WQLSENKSSA-N	322.361	1.755	50	20	DDGD	
Cc1occc1-c1nnc(SCC(=O)NNC(=O)C2CC2)o1	128102314	IQTLCPVBNIBOGY-UHFFFAOYSA-N	322.346	1.288	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12	77220272	DSUIYWJZBXIWBS-UHFFFAOYSA-N	305.294	1.278	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)no1	78263195	HIODMEQYIWQIDN-SECBINFHSA-N	322.296	1.742	50	20	DDGD	
Cc1nc(-c2ccc(NC(=O)NNC(=O)CO)cc2)cs1	183390379	GFKFMKGZGVHZMC-UHFFFAOYSA-N	306.347	1.264	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(F)cc1F	77163733	NZQGVOFZTLCCHC-UHFFFAOYSA-N	313.304	1.031	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1C[C@H]1c1cccc(F)c1F	75564279	LMTSNMOYZOABEN-UWVGGRQHSA-N	311.357	1.750	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc(F)n1	134316821	XMYQOCGJAFLZLJ-UHFFFAOYSA-N	319.252	1.595	50	20	DDGD	
COC1CCC(CC(=O)NNC(=S)N[C@H](C)C2CC2)CC1	89421396	XJBOBZLYFZDISL-XSRFYTQQSA-N	313.467	1.876	50	20	DDGD	
COCCNC(=O)NNC(=O)c1cc2c(s1)CCCCC2	42843177	HXZHUQWDBIWAPR-UHFFFAOYSA-N	311.407	1.607	50	20	DDGD	
O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NNc1cnccn1	133293075	CIDIKNUDWQPQMZ-UHFFFAOYSA-N	307.697	1.724	50	20	DDGD	
CSc1nccn1-c1ccc(C(=O)NNC(=O)C2CC2)cc1	42567973	PBQAPROKKXBTBF-UHFFFAOYSA-N	316.386	1.765	50	20	DDGD	
CCc1nn(C)c(CC)c1CC(=O)NNc1cccc(OC)n1	190089528	ANNGVVTUEAJRRW-UHFFFAOYSA-N	317.393	1.634	50	20	DDGD	
Cc1cc(NC(=O)CN(C)C[C@H](C)CBr)no1	133599161	RBPIFGUZABUSNP-MRVPVSSYSA-N	304.188	1.884	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2cccc(Cl)c2)o1	84461259	IIHVYRZLURXVRN-UHFFFAOYSA-N	314.750	1.865	50	20	DDGD	
COc1ccc(CC(=O)NNc2nc3ccccn3n2)cc1F	191907800	YAJGHDQYVNCAEP-UHFFFAOYSA-N	315.308	1.563	50	20	DDGD	
C[C@H](CBr)CN1CCC[C@H](N2CCOCC2)C1	382532202	SNXIZJAABRYKED-OLZOCXBDSA-N	305.260	1.814	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1cc(C#N)cc(Cl)n1	93543644	ZYNPDTFBYWVZDB-SECBINFHSA-N	312.757	1.491	50	20	DDGD	
CC[C@H](C)[C@@H](C)NC(=O)NNC(=O)COc1ccccc1C#N	98120758	UFCHRECKASMBEC-NWDGAFQWSA-N	318.377	1.702	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H]1CCCC[C@H]1OC	266773987	QLKBOOVHKCPGSJ-GXTWGEPZSA-N	321.377	1.597	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNC(=O)C2CCC2)cc1OC	268288016	YSJQUZUXRWGLBQ-UHFFFAOYSA-N	320.389	1.929	50	20	DDGD	
CC(C)C1(CNC(=O)NNC(=O)COc2ccccc2O)CC1	267812367	DSWWJGMWVUTPMJ-UHFFFAOYSA-N	321.377	1.538	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(C)c(C)c2O)n1	266928304	LBHQPYIPLGAKLL-UHFFFAOYSA-N	302.334	1.873	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N(C)CC[C@H](C)O)cc(C#N)n1C	268064567	BJOHZQFQJHOZJQ-NGPAHMQLSA-N	300.362	1.341	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H](C)c1cnn(C)c1	266755511	NOTNKTWWYMFQQM-JTQLQIEISA-N	317.349	1.134	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN([C@H](C)C(F)(F)F)CC1	269488894	RQHQXIYDTCQCAB-OYVNLZQHSA-N	305.300	1.525	50	20	DDGD	
CC(C)[C@H](NC1CCOCC1)C(=O)NN(C)c1ccccc1	266502721	GCHFNGDHEYNQJB-INIZCTEOSA-N	305.422	1.947	50	20	DDGD	
Cc1cccnc1NNC(=O)NCC1CCN(C2CC2)CC1	278097888	JDJOLUGPPDOZFO-UHFFFAOYSA-N	303.410	1.891	50	20	DDGD	
CC1(C)OCC(C)(C(=O)NNC(=O)Cc2ccccc2F)CO1	272063936	DCHLYWKUZZZNIN-UHFFFAOYSA-N	324.352	1.305	50	20	DDGD	
CCCc1nc(C(=O)NNc2cccc(S(C)(=O)=O)c2)co1	273669797	DLRZGZRZENQBDO-UHFFFAOYSA-N	323.374	1.788	50	20	DDGD	
Cc1ccc(NNC(=O)NCC2CCN(C3CC3)CC2)nn1	278048523	CUUZPOLZLBVUPZ-UHFFFAOYSA-N	304.398	1.286	50	20	DDGD	
Cc1cccc(-c2nc(C(=O)NNC(=O)N(C)C)c(C)[nH]2)c1	270268951	WBKHIEOEMGLKMO-UHFFFAOYSA-N	301.350	1.610	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@](C)(CC)OC	279892201	ACYTVBSSFUAXBT-INIZCTEOSA-N	308.378	1.590	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccccc1CC	276510840	DUJQIGTWBYPGNY-UHFFFAOYSA-N	308.378	1.799	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2[nH]ncc2C1)c1cccc(Cl)c1	270125255	LMBPGBMLDWBVNW-SNVBAGLBSA-N	318.764	1.629	50	20	DDGD	
COc1cccc(NNC(=O)NCC2([C@H](C)CCO)CCC2)n1	272569415	PMTQKVAIPQFRKM-GFCCVEGCSA-N	322.409	1.905	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1c[nH]c2ccccc12)C(=O)OC	276711109	QVBBUAHLYNVEIM-SECBINFHSA-N	303.318	1.128	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2O)CCO1	271838650	ARBVUFFPXQYOLR-BDAKNGLRSA-N	312.753	1.622	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@@H]2CCCCS2)c1	273046465	HAZGMBAVNOSRCA-ZDUSSCGKSA-N	323.418	1.540	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC2(N(C)C)CCC2)c1	275651614	PJYXJORWFWEPDW-UHFFFAOYSA-N	320.393	1.584	50	20	DDGD	
COCC[C@H](NC(=O)NNc1ccc(C)nn1)c1ccco1	272516146	JHOSVCZQLPLFNJ-NSHDSACASA-N	305.338	1.782	50	20	DDGD	
C=C(C)[C@H](CC(=O)NNC(=O)COc1ccccc1O)OCC	270101179	ZQUVAPZWLLGXAJ-AWEZNQCLSA-N	322.361	1.290	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H](C)c2ncc(C)s2)n1	280969700	SYUNZGAJJURDGW-SNVBAGLBSA-N	319.390	1.860	50	20	DDGD	
O=C(CCCNC(=O)C1CC1)NNc1nccnc1C1CCC1	287298989	VHDAVSKJGJHULE-UHFFFAOYSA-N	317.393	1.494	50	20	DDGD	
CO[C@@H](C(=O)NNc1nccnc1C1CCC1)c1cnn(C)c1	287203348	NCCSIHDKJBUMAY-CYBMUJFWSA-N	316.365	1.308	50	20	DDGD	
COCCCn1nccc1/C=C(\C#N)C(=O)[C@H]1CCCOC1	282706579	UGNRCIYWMJXFKB-LFGHMXSPSA-N	303.362	1.822	50	20	DDGD	
C[C@H](CF)NC(=O)NNC(=O)c1cccc(Br)c1	288812141	JJOKFIRKWPTREU-SSDOTTSWSA-N	318.146	1.751	50	20	DDGD	
COCCN(C)NC(=O)[C@H](NC(=O)c1cccc(C)c1)C(C)C	288377389	IKLLQFKQPQJMQD-OAHLLOKOSA-N	321.421	1.359	50	20	DDGD	
C[C@@H]1COCC[C@H]1CNC(=O)NNc1ncc(F)cc1F	297924023	JDYFEJYBMORSBQ-BDAKNGLRSA-N	300.309	1.659	50	20	DDGD	
CCCCN1C(=O)c2ccc(C(=O)NNC(=O)OC)cc2C1=O	298294017	HAGZDLHMYIGWDO-UHFFFAOYSA-N	319.317	1.084	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)COc1ccc(F)cc1)C(C)C	297929157	JLFJWZZBJLFQQQ-CYBMUJFWSA-N	307.325	1.193	50	20	DDGD	
Cc1cc2ncc(C(=O)NNC(=O)NC3CCCC3)c(C)n2n1	299380753	ZPFBPRWABOGIMV-UHFFFAOYSA-N	316.365	1.233	50	20	DDGD	
NC(=O)NNC(=O)COc1ccc(OCc2ccccc2)cc1	804031014	PREYSKJBBGCRSV-UHFFFAOYSA-N	315.329	1.344	50	20	DDGD	
COc1cccc(C(=O)NNc2cccc(F)n2)c1[N+](=O)[O-]	804766457	HULGTWZWFLPKPM-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
COc1ccc(OCCC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	294093108	DAZLFFGEGKSBAC-FZMZJTMJSA-N	322.361	1.179	50	20	DDGD	
Cc1c(C(=O)NN(C)c2ccccc2)nnn1Cc1ccncc1	806344086	FAXJXBGBPYBRRR-UHFFFAOYSA-N	322.372	1.811	50	20	DDGD	
C[C@@H](NCC(=O)NNC(=O)c1cccs1)c1ccsc1	801570586	ODVXSFOZKUBTLD-SECBINFHSA-N	309.416	1.921	50	20	DDGD	
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NNC(=O)[C@@H]1CCCO1	297327125	YNGMXCGDMYGVAG-LBPRGKRZSA-N	322.321	1.543	50	20	DDGD	
COc1nccc(NC(=O)NNC(=O)c2cccc(Cl)c2)n1	801726308	BTOKQBVWLAEWGJ-UHFFFAOYSA-N	321.724	1.605	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@H]1CCCCC1(F)F	294808302	VBJYXAOTYYAJOK-SNVBAGLBSA-N	301.293	1.936	50	20	DDGD	
COc1cccc(NNC(=O)C[C@@H]2COc3ccccc3O2)n1	296824933	RCMVAEMYOOIOHK-LLVKDONJSA-N	315.329	1.763	50	20	DDGD	
CC[C@H](Oc1ccccc1C)C(=O)NNC(=O)[C@@H]1CCCCO1	295350940	IPZLLZMLDZGJQP-ZFWWWQNUSA-N	320.389	1.869	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1cccc(F)c1Cl	806772401	PZTUKUKYZZPKAC-UHFFFAOYSA-N	309.688	1.736	50	20	DDGD	
COc1cc(C(=O)NNc2cccc(F)n2)cc(OC)c1O	804768326	XPOAAAAVSRYZRZ-UHFFFAOYSA-N	307.281	1.700	50	20	DDGD	
O=C(NCCc1ccc2c(c1)OCO2)NNc1ncccc1F	804893859	MKMVYZLVMRNPQB-UHFFFAOYSA-N	318.308	1.818	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cnc(S)[nH]2)cc1C	800687642	ZJVHETLMGVXSFO-UHFFFAOYSA-N	320.374	1.155	50	20	DDGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C\c2cn(C)cn2)cc1	800792896	ICGHAHCGISQGTI-JYRVWZFOSA-N	323.356	1.668	50	20	DDGD	
CO[C@@](C)(CNC(=O)NNC(=O)c1cccc(C)n1)C1CC1	291151828	DTJOOABLUUQZIM-HNNXBMFYSA-N	306.366	1.149	50	20	DDGD	
COCC(Cc1ccccc1)=NNC(=O)N1CCN(C)CC1	814913998	YKDDQQHTRPXRKL-UHFFFAOYSA-N	304.394	1.189	50	20	DDGD	
Cc1nn(C)c(N)c1C=NNC(=O)CCN1CCCCCC1	814758119	HMELQLRBSSBZAJ-UHFFFAOYSA-N	306.414	1.027	50	20	DDGD	
CSc1ccc(C(=O)NNc2cnnn2C)cc1[N+](=O)[O-]	816769615	PJXVZUIVSOATRK-UHFFFAOYSA-N	308.323	1.202	50	20	DDGD	
CC1(C)[C@H](c2ccccc2)CCN1CC(=O)NNC(=O)C1CC1	817297657	UFVAXIPWMNXOFV-HNNXBMFYSA-N	315.417	1.812	50	20	DDGD	
COc1cc(Cl)cc(C=NNC(=O)Cc2cc[nH]n2)c1O	814957346	NRFAXECXWXUWMI-UHFFFAOYSA-N	308.725	1.470	50	20	DDGD	
CC1(C)CN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C[C@H](CO)O1	817625429	LUFXYCYRAMVSHG-LPYTZGJOSA-N	318.348	1.731	50	20	DDGD	
Cc1cnc(C(=O)NNc2nnc(-c3ccccn3)s2)o1	813817510	DDNMRKJTXPSKGD-UHFFFAOYSA-N	302.319	1.653	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	812626883	PVGWBJYZPVOPQY-SDDRHHMPSA-N	316.398	1.030	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)COc2ccccc2O)CN1C1CC1	814951028	JPYSBGPVLSOOTM-LLVKDONJSA-N	303.362	1.500	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=S)NC1CCC1	814192205	SJKGDVKNCJXGFM-SECBINFHSA-N	311.382	1.641	50	20	DDGD	
Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NNC(=O)[C@@H]1CCCCO1	817454632	PZLHEFCLGAEALJ-ZDUSSCGKSA-N	321.333	1.542	50	20	DDGD	
CO[C@]1(C)C[C@@H](NC(=O)NNC(=O)OC(C)(C)C)C1(C)C	491797426	MCGCQPHKEVDWQE-YMTOWFKASA-N	301.387	1.929	50	20	DDGD	
CN(NC(=O)C1(C)COC(C)(C)OC1)C(=O)OC(C)(C)C	496536718	BMZNZYXQINMZDX-UHFFFAOYSA-N	302.371	1.674	50	20	DDGD	
CC(C)CO[C@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	824266449	LWBROCCFANDHAR-SNVBAGLBSA-N	304.354	1.371	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N(CCO)CCc2ccccc2)cn1	827752348	LTOJTBZJQVWCAS-BOPFTXTBSA-N	324.384	1.391	50	20	DDGD	
COc1ccc(C(=O)NN(C)[C@H](C)CO)cc1OC(F)F	823970462	HFDOOIMFIZMSEM-MRVPVSSYSA-N	304.293	1.254	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2cc(-c3nn[nH]n3)cs2)o1	822226221	IJQJTYBYFXZYPR-UHFFFAOYSA-N	302.319	1.594	50	20	DDGD	
CN1CCN(CCCCNC(=O)NN(C)c2ccccc2)CC1	728947771	CZSYAOCSCQHDRV-UHFFFAOYSA-N	319.453	1.365	50	20	DDGD	
CCOCC(=O)NN=C1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C	497267991	GDDYCDWEUKEZFM-SNVBAGLBSA-N	313.398	1.818	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H](CC)NC(=O)OC(C)(C)C	495430552	WOKXVVOUYJNOJO-SECBINFHSA-N	302.375	1.030	50	20	DDGD	
O=C(N[C@H]1CC[C@H](C(F)(F)F)CC1)c1ccc(B(O)O)cc1	585009862	GAJPOXALDFCQRM-UMSPYCQHSA-N	315.100	1.217	50	20	DDGD	
CCOCC(=O)NN=C(C)[C@@H]1CCCN1C(=O)OC(C)(C)C	495586744	CVTGEMNEIWPZAI-LBPRGKRZSA-N	313.398	1.915	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H]2[C@H]3Cc4ccccc4[C@H]32)c(F)c1	585031133	ROADSRRVZIUKMG-JFIYKMOQSA-N	311.165	1.181	50	20	DDGD	
CCc1ncc(C=NNC(=O)CCNC(=O)OC(C)(C)C)cn1	496983481	DTMKFUUTFSBPNS-UHFFFAOYSA-N	321.381	1.404	50	20	DDGD	
N#Cc1cnc2ccc(Cl)cc2c1N1CC[C@@H](B(O)O)C1	585073931	QSRAIMUFLBHHRR-SNVBAGLBSA-N	301.542	1.813	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)NCCc2cccs2)nc1	728862539	YHRJXXAFUPAIRI-UHFFFAOYSA-N	314.370	1.311	50	20	DDGD	
CC(C)N1C[C@H](NC(=O)[C@]2(C)C[C@H]2Br)CC1=O	906501624	LHZZYFFZCVWBCA-KBVBSXBZSA-N	303.200	1.285	50	20	DDGD	
COc1cccc2c1CC[C@H]2NCc1ccc(B(O)O)cc1F	585029130	VVGNPMOCZSDOCH-MRXNPFEDSA-N	315.153	1.291	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@H]1CCC[C@@H]1C1CC1	826963200	MLKJASBAXGJETF-AHLTXXRQSA-N	309.410	1.568	50	20	DDGD	
CN(NS(=O)(=O)c1cccnc1C#N)C(=O)OC(C)(C)C	497280806	WTORNYFYWUZXIS-UHFFFAOYSA-N	312.351	1.013	50	20	DDGD	
CN(C(=O)/C(C#N)=C\c1cnn(C)c1)C(C)(C)CN1CCCC1	490978887	WYGAQLONBFCIRG-DHDCSXOGSA-N	315.421	1.660	50	20	DDGD	
CO[C@](C)(C1CC1)[C@H](C)NC(=O)/C(C#N)=C\c1cnn(C)c1	491161703	PHQWJWUWWAXAPD-ZABLBMFASA-N	302.378	1.647	50	20	DDGD	
CN1C(=O)CCC[C@H]1C(=O)NNC(=O)c1cc2c(s1)CCC2	905119145	WKPLLWBSGBWMBF-JTQLQIEISA-N	321.402	1.009	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2ccc(Br)cn2)cn1	735412296	VJNGWZBBRFBKDT-UHFFFAOYSA-N	308.139	1.342	50	20	DDGD	
CC(C)C[C@@H]1CCCN(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)C1	827289502	TXTYETMRYFDSHF-RDBSUJKOSA-N	311.426	1.910	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC2=NC[C@H](C)S2)cc(C#N)n1C	491008782	JAQFPJJYXVXCAT-JIGMTCFASA-N	313.386	1.720	50	20	DDGD	
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NNC(=O)Nc1ccccc1	908049594	JFORPPBSBAGMDA-QWHCGFSZSA-N	319.361	1.819	50	20	DDGD	
Cc1ncc2c(n1)CCC[C@@H]2NC(=O)NNC(=O)C1CCCC1	734954564	NUQFSURGIONNNN-AWEZNQCLSA-N	317.393	1.683	50	20	DDGD	
OB(O)c1ccc(CNc2cccc(CN3CCCCC3)c2)cc1	585012480	ZROFCXCYFJBROA-UHFFFAOYSA-N	324.233	1.964	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(F)c(NC(=O)NC)c1	490941889	MKGRNXDXCDXUJV-HJWRWDBZSA-N	306.297	1.959	50	20	DDGD	
C[C@@H]1CCC(C)(C)N1CC(=O)NNC(=O)c1ccc(F)cc1	839613350	DEFVVYIGHCVHFM-LLVKDONJSA-N	307.369	1.850	50	20	DDGD	
CN(C)CC(=O)NN=C1C[C@@]2(CCOC2)Oc2ccccc21	901183251	JVASWAFCIGLWDH-MRXNPFEDSA-N	303.362	1.010	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC[C@@H]1CCc2ccccc21	838637146	JUKOYGKQMZYUNY-ZDUSSCGKSA-N	305.378	1.473	50	20	DDGD	
OB(O)c1cccc(CN[C@@H](c2ccccc2)[C@@H]2CCCO2)c1	585019095	BINCVLRFZYMTDX-ROUUACIJSA-N	311.190	1.376	50	20	DDGD	
C[C@]1(C(=O)N2CCC[C@@H](OCCO)C2)C[C@@H]1Br	907075199	SPTQLVZZZOJDFB-SCVCMEIPSA-N	306.200	1.160	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2)C12CCC2	838768800	RNLKQZDVWDHMPQ-STQMWFEESA-N	303.362	1.588	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNc1ccc(Br)nc1	732837792	VVMNUOVJBMAFLT-JTQLQIEISA-N	313.199	1.772	50	20	DDGD	
CCOc1ccccc1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	831068379	UCTGLNHRCBPHBL-MNOVXSKESA-N	307.350	1.663	50	20	DDGD	
Cc1cc(Br)cc(CN2CC[C@@H](B(O)O)C2)c1O	585076472	NYSATUMDJMPRDL-SNVBAGLBSA-N	313.988	1.512	50	20	DDGD	
C[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)CC[C@H]1c1ccccc1	584953515	VYMZPRIYQKZRQS-KBXCAEBGSA-N	323.201	1.632	50	20	DDGD	
CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cccc(B(O)O)c1	584914422	XQKBEPWTWLJUHI-DLBZAZTESA-N	309.174	1.671	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@H]2C[C@H](O)C2)cc1	834780498	HJMYXVVCCJZCCT-RTFGFDBOSA-N	300.358	1.879	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)CCCCO1	837311494	ZFGVOUZSMKJSDY-QGZVFWFLSA-N	315.373	1.817	50	20	DDGD	
CCOc1ncc(C(=O)NNc2nccc(OC)n2)cc1Cl	732752039	DZSFPARTSJYRIY-UHFFFAOYSA-N	323.740	1.689	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2C[C@H](c3ccc(F)cc3)C2)c(F)c1	585043713	UBUNKEKVEAYRJT-SAZUREKKSA-N	317.144	1.680	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)OCCCC(=O)OC(C)(C)C)cn1	837971873	QPJOVISFWXGACJ-MDWZMJQESA-N	319.361	1.992	50	20	DDGD	
N#CCN1CCC(NC(=O)NNc2cccc([N+](=O)[O-])c2)CC1	730674374	KXBASXOBVZGXIU-UHFFFAOYSA-N	318.337	1.209	50	20	DDGD	
CC(C)Cn1ccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)n1	912160046	KHBVSTAZEKBFKJ-JTQLQIEISA-N	309.439	1.447	50	20	DDGD	
Cc1cc2ncc(C(=O)NNc3nccnc3Cl)c(C)n2n1	734261664	SELIPWXHKIJIEN-UHFFFAOYSA-N	317.740	1.546	50	20	DDGD	
C[C@H]1Cc2cc(CNC(=O)/C(C#N)=C/c3cnn(C)c3)ccc2O1	830830084	YRGRZRXHKDCPPW-QFULYMJESA-N	322.368	1.967	50	20	DDGD	
CCNC(=O)CN(C)C(=O)/C(C#N)=C\c1ccc(OCC)cc1	918636854	HCOUCLDBLRTZLJ-UVTDQMKNSA-N	315.373	1.587	50	20	DDGD	
CCCN1C[C@H](CNC(=O)[C@@]2(C)C[C@@H]2Br)CC1=O	911174444	WYGNBODPXONZBT-KWBADKCTSA-N	317.227	1.535	50	20	DDGD	
CO[C@@H]1C[C@H](NCC(=O)NNC(=O)c2cccs2)C12CCC2	839192000	RTVPRNJZSVLLDY-NWDGAFQWSA-N	323.418	1.056	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CN(CC)CC#N)cc1C	744390253	DAHDHNPWRNDNAJ-UHFFFAOYSA-N	308.407	1.225	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cc(OC)c(O)c(OC)c1	916354882	LVYLEXDKVHACFR-UHFFFAOYSA-N	323.393	1.591	50	20	DDGD	
C[C@H]1CCCC[C@@H]1OCC(=O)NNc1ccnc(N(C)C)n1	740112834	QQVRPEQDUYDTNW-RYUDHWBXSA-N	307.398	1.581	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)CCCn1ccccc1=O	846642299	BLSPYJKQELVFQE-UHFFFAOYSA-N	319.336	1.920	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=C1C[C@@H](C)n2ncnc21	841614251	IYUZAYOBFNDTML-NWDGAFQWSA-N	304.398	1.185	50	20	DDGD	
COCCOCC(C)=NNC(=O)Cc1cn2ccccc2n1	747638874	VVIVQXFKGKJUIF-UHFFFAOYSA-N	304.350	1.032	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCCC1=NNC(=O)CC(F)(F)F	741462147	YOKZJBVPHZBUIY-MRVPVSSYSA-N	300.302	1.398	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2cc(F)c(F)c(F)c2)c1[N+](=O)[O-]	746704709	GWWRMJLTMPQCIP-UHFFFAOYSA-N	315.211	1.801	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CCCS(=O)(=O)C2)c(Cl)c1	846245476	DXMIJVWOPHWTGI-JTQLQIEISA-N	316.810	1.916	50	20	DDGD	
O=C(NC[C@H]1CNCCCO1)NNc1cc(F)c(F)cc1F	842010004	GZNNHAZBCRINQC-MRVPVSSYSA-N	318.299	1.109	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1	910176654	AYLVGCOHRSQNNL-NSHDSACASA-N	323.393	1.991	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCCc1cccc(F)c1	918058186	JYUWQLWEZXHIRC-UHFFFAOYSA-N	307.247	1.651	50	20	DDGD	
Cc1ccc(C(=O)/C=C\C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	911503265	RCUXOFRYFWLJNX-GGJXWIKRSA-N	316.357	1.306	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1C(=O)Nc2ccc(OC)cc21	916356116	WRHDRXAEHOYTOL-UHFFFAOYSA-N	318.377	1.200	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)Cc1csc(-c2ccccc2)n1	910166611	BZBSLKQOGRANSZ-LLVKDONJSA-N	305.403	1.696	50	20	DDGD	
CN(NC(=O)NCc1ccc(-n2cncn2)nc1)c1ccccc1	918780548	VOHNQEKUDUZUTL-UHFFFAOYSA-N	323.360	1.513	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)COc2cc(C)ccc2C)[C@H]1OC	841607299	VERZEOOERBBXAU-NVXWUHKLSA-N	320.389	1.978	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1ccc(N2CCCCC2)o1	917576168	OFTIBOLIZSBWDF-UHFFFAOYSA-N	318.377	1.342	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNC(=O)c2ccc(Cl)cc2O)c1	918357817	AMXSEQZSXGDRGG-UHFFFAOYSA-N	321.720	1.651	50	20	DDGD	
COc1cc(C2(C(=O)NNC(=O)NC3CC3)CCC2)ccc1C	749585214	LNGLVUPAQINNKH-UHFFFAOYSA-N	317.389	1.918	50	20	DDGD	
O=C(CSCCCO)NNC(=O)c1cccc(Cl)c1	840211210	DNGDPCLUHSGYTA-UHFFFAOYSA-N	302.783	1.217	50	20	DDGD	
O=S(=O)(CBr)N[C@H]1COc2cc(F)ccc2C1	849461716	YIRBEHXMIMUYAQ-SECBINFHSA-N	324.171	1.401	50	20	DDGD	
O=C(O)Nc1ccc(CCNC(=O)NNc2ncccn2)cc1	740024002	UWJBYUJVTKEZQT-UHFFFAOYSA-N	316.321	1.435	50	20	DDGD	
Cc1oc(-c2ccco2)nc1CC(=O)NNC(=O)c1ccc[nH]1	749562463	JMVQKUWTVJYOIJ-UHFFFAOYSA-N	314.301	1.575	50	20	DDGD	
C[C@@H]1OCCC1=NNC(=O)CSc1ccccc1[N+](=O)[O-]	842568181	JVXOLSAABQOPMQ-VIFPVBQESA-N	309.347	1.968	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)Cc1cc2ccccc2o1	746674180	FKNNGMSGWHFIFX-LLVKDONJSA-N	303.362	1.811	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccnc1C(F)(F)F	843663405	XCXJRUBRXLRFBX-YUMQZZPRSA-N	317.267	1.286	50	20	DDGD	
CC[C@@H](C#N)C(=O)NNC(=O)c1cccc(Br)c1	845648173	CKMXBOJQLXHSCY-QMMMGPOBSA-N	310.151	1.760	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Cc1c[nH]c2ccccc12)[C@H](C)O	842225183	TYHVUXMCVQTLJU-JQWIXIFHSA-N	303.362	1.265	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2C[C@H]3[C@@H](C2)C3(C)C)cc1	741809845	ZDUNXQSKGSCOHN-OKILXGFUSA-N	301.390	1.344	50	20	DDGD	
Cn1c(NNC(=O)[C@@H]2CCn3ccnc3C2)nc2ccccc21	848379225	FKZUUANAPZZPBR-LLVKDONJSA-N	310.361	1.476	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(O)c2ccccc2c1	843970861	MFGISCZCVJMLQQ-GXFFZTMASA-N	314.341	1.731	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H](C#N)CC)cc1	845089299	WTLNGHZNZWFGDW-NEPJUHHUSA-N	319.361	1.550	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCCCNC1CC1)c1ccccc1	841918808	CDLFYEHCHILBBZ-HNNXBMFYSA-N	318.421	1.653	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN[C@@H](C(=O)NC1CC1)c1ccccc1	843288742	GFXYSAFUAAUAGJ-NILFDRSVSA-N	317.389	1.052	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)c1cccs1)[C@H]1CC1(C)C	842164089	QZZTUVPAJNZLJW-MNOVXSKESA-N	309.435	1.923	50	20	DDGD	
CCCCNC(=O)NN=Cc1cc2c(cc1[N+](=O)[O-])OCCO2	920751310	UXNWJMFQXLOALT-UHFFFAOYSA-N	322.321	1.799	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)Cc2nc(C)cs2)c1C	755613998	VKHGGXVCFLJDFE-UHFFFAOYSA-N	305.407	1.978	50	20	DDGD	
Cc1cccc(OCCCCC(=O)NNC(=O)c2cc[nH]n2)c1	855358981	AHHKJOZOWWWBJK-UHFFFAOYSA-N	316.361	1.728	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C2CC2)ccc1C(F)(F)F	854180196	JLRLSUTUJIZCPY-UHFFFAOYSA-N	302.252	1.885	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1	858283949	AJYCMVFZPCNNIO-CQSZACIVSA-N	317.389	1.342	50	20	DDGD	
C[C@H](Cc1ccc(F)cc1)C(=O)NNC(=O)c1ccccn1	921020766	XYIJIEULTUWCAR-LLVKDONJSA-N	301.321	1.861	50	20	DDGD	
COC1(C(=O)NNC(=O)Cn2nc(C)cc2C)CCCCCC1	929312775	ZPJMRNFEBIGHKY-UHFFFAOYSA-N	322.409	1.387	50	20	DDGD	
C[C@@H]1CCCC[C@H]1NC(=S)NNC(=O)c1cccc(F)n1	853051179	BBVKCKWPGKWYJF-NXEZZACHSA-N	310.398	1.908	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1cc(C(F)(F)F)nn1C	853309833	XWFAOOCZGBTCIO-UHFFFAOYSA-N	300.244	1.234	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H]1CCCSC1	854285823	QMUVNTJNWCHJCO-SNVBAGLBSA-N	305.469	1.004	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)C(C)(F)F	855832311	AHKGHBNJXLYAQN-VIFPVBQESA-N	321.368	1.368	50	20	DDGD	
C[C@@H]1CN(CCC(=O)NNC(=O)[C@]2(C)CC=CCC2)C[C@@H](C)O1	856758909	PORQNAQATQUWSS-CKEIUWERSA-N	323.437	1.380	50	20	DDGD	
CC(C)O[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	852377585	MBIPAXUPHIZEMG-AOOOYVTPSA-N	310.329	1.121	50	20	DDGD	
CC(C)(C)[C@H](C(=O)O)C(=O)NNc1nc(-c2ccccc2)no1	852952009	TXWLDWOEFQZIRA-JTQLQIEISA-N	318.333	1.927	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC2(CCCC2=O)CC1	852630643	GQVIFPDIWVTHBR-CYBMUJFWSA-N	323.437	1.404	50	20	DDGD	
Cc1nn(C)c(C)c1CC(=O)NC[C@@]1(C)C[C@H]1Br	857402757	KWJUKBNPRMLUCT-DGCLKSJQSA-N	314.227	1.869	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1cccc(F)n1)[C@H]1CC1(C)C	852385802	UQEWSYIDYVEATK-ZJUUUORDSA-N	308.357	1.989	50	20	DDGD	
CCCn1nccc1C(=O)NNC(=O)COc1cccc(C)c1	854188548	DGOJQQKRRUQHDE-UHFFFAOYSA-N	316.361	1.442	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1cccc(F)n1)[C@H]1CCCO1	852227551	DWRNXQUWZIIXCJ-GXSJLCMTSA-N	310.329	1.122	50	20	DDGD	
CCN(CC)C(=O)COC(=O)/C(C#N)=C/c1ccc(O)cc1	750664871	YXWCKNUJDRDUAP-UKTHLTGXSA-N	302.330	1.711	50	20	DDGD	
C[C@H]1COC[C@H]1NC(=O)NNC(=O)Cc1ccc(Cl)cc1	925992793	SABBSJAOVKDROR-JOYOIKCWSA-N	311.769	1.248	50	20	DDGD	
CCCCN(CCO)C(=O)NC[C@]1(C)C[C@@H]1Br	856950557	CXLGPPQJVMYZAO-JQWIXIFHSA-N	307.232	1.964	50	20	DDGD	
O=C(NNC(=O)c1ccc(C(F)F)nc1)OCC(F)(F)F	856025980	HGSGFXLMFMECLB-UHFFFAOYSA-N	313.182	1.953	50	20	DDGD	
Cn1c(C(=O)NNc2ccc(Br)cc2)cccc1=O	757140643	BACSKMSYOIMAFC-UHFFFAOYSA-N	322.162	1.905	50	20	DDGD	
Cc1noc(C)c1NC(=O)NNC(=O)COc1ccccc1F	756287294	RNFRWCFHXWDIIX-UHFFFAOYSA-N	322.296	1.662	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=C2CC(=O)N3CCCC[C@@H]23)c1	853426786	XNMXQZSUDLGYTR-ZDUSSCGKSA-N	315.329	1.255	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)NCc1ccoc1	852008811	MBWSUWDIROGLHC-UHFFFAOYSA-N	324.381	1.053	50	20	DDGD	
Cn1cc(CC(=O)NNC(=O)Cc2ccc(Cl)cc2)cn1	750718642	BQUBCCHNBZSNCA-UHFFFAOYSA-N	306.753	1.006	50	20	DDGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cnc[nH]1	750865895	OGXGGMHSOJKKIB-LLVKDONJSA-N	324.340	1.791	50	20	DDGD	
Cc1ccc(NNC(=O)Cc2nc(C3CC3)nn2C)cc1F	856232629	VTXREAMLGBBYHS-UHFFFAOYSA-N	303.341	1.826	50	20	DDGD	
CC(C)OC1CCN(C(=O)NNC(=O)c2cccc(F)n2)CC1	852712013	YENGKKQFVKZGQP-UHFFFAOYSA-N	324.356	1.465	50	20	DDGD	
CC(CC1CCOCC1)=NNC(=O)[C@@H](C)CN1CCOCC1	757562907	GXXZWXAEKRTIAI-ZDUSSCGKSA-N	311.426	1.264	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(F)c(OC)c2)nc1	759725042	KHFFAWQNPYNOQO-UHFFFAOYSA-N	319.292	1.773	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cccnc1Br	865213704	FZEREKJQUHVKJE-YFHOEESVSA-N	310.151	1.514	50	20	DDGD	
Cc1ccc(CO[C@@H](C)C(=O)NNC(=O)[C@H]2CCCCO2)cc1	861851912	BGGPIFKKBRBWEW-DZGCQCFKSA-N	320.389	1.617	50	20	DDGD	
Cc1ccc(CO[C@@H](C)C(=O)NNC(=O)c2ncccn2)cc1	862006129	RLNCMRVBWJDMBT-LBPRGKRZSA-N	314.345	1.151	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(OCc2ccccc2)ccc1O	769718993	ATYIHTXDSIEUAD-UHFFFAOYSA-N	315.329	1.545	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cc1ccc(F)c(Cl)c1	862096140	SWJUZAAOVVADBN-WCBMZHEXSA-N	314.744	1.594	50	20	DDGD	
O=C1NCCC[C@H]1C(=O)NNc1ccc(Br)cc1	866868520	QCNSIWNKJFNDJC-SNVBAGLBSA-N	312.167	1.418	50	20	DDGD	
CCCC1(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1	760493864	SBZQAZIKFLHYIA-UHFFFAOYSA-N	309.391	1.206	50	20	DDGD	
COc1ncccc1CNS(=O)(=O)CC(C)(C)CCl	866466427	XFGQKMLMPCHTBY-UHFFFAOYSA-N	306.815	1.775	50	20	DDGD	
C[C@@H](NNC(=O)C#Cc1ccc2c(c1)OCO2)C(F)(F)F	862315179	SHQNAMTXJGSNKW-MRVPVSSYSA-N	300.236	1.338	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(Cl)c(O)c(OCC)c1	762584977	RVJYBKKEPPSRLN-UHFFFAOYSA-N	315.757	1.798	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1C[C@]12CCOC2	763372680	DFHAHIWVVHXHBJ-JFPOPMSLSA-N	318.417	1.777	50	20	DDGD	
CN(C)c1ccc2c(c1)N(C)C(=O)C2=NNC(=O)c1ccncc1	761724023	MNLPCSIRBLJPSG-UHFFFAOYSA-N	323.356	1.258	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1OC(F)F	863144997	DCKVBGGLIYXFMB-JTQLQIEISA-N	311.288	1.407	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CN(C)C1CCC1)c1ccccc1	863870854	OGXRDMZXNWZLMY-HNNXBMFYSA-N	303.406	1.812	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12	769199153	ATBXCXOEDROXGQ-RBJBARPLSA-N	303.337	1.814	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)[C@H]1COc2ccccc2O1	768492547	QTQOYYSSEZLDTK-CQSZACIVSA-N	310.313	1.846	50	20	DDGD	
CS/C=C\C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	762941323	ZIGIEJVLUANUSL-FPLPWBNLSA-N	302.359	1.714	50	20	DDGD	
CN(Cc1ncc[nH]1)C(=O)NC[C@@]1(C)C[C@H]1Br	868795748	OTTUMFJZRUPILY-LDYMZIIASA-N	301.188	1.725	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1C[C@]12CCOC2	763372681	DFHAHIWVVHXHBJ-YRUPKEAZSA-N	318.417	1.777	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2ccc(N(C)CCC#N)cc2)n[nH]1	767407415	HQYMNTMJFKPMOC-UHFFFAOYSA-N	324.388	1.761	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CC(O)(C(C)C)C2)cc(C#N)n1C	765588628	FXCOQBYOLWNLEI-RZNTYIFUSA-N	312.373	1.341	50	20	DDGD	
COCc1ccc(C=NNC(=O)COc2ccccc2OC)o1	764666507	SMVMMZZUJWYVPR-UHFFFAOYSA-N	318.329	1.964	50	20	DDGD	
CC1(C)C[C@@H]1CNC(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1118812449	GTRMYYAFVUINPW-KKFJDGPESA-N	317.227	1.438	50	20	DDGD	
O=C(NNC(=S)NCc1ccon1)c1cc2ccccc2o1	764475092	CCHKBNMAOUXDJQ-UHFFFAOYSA-N	316.342	1.730	50	20	DDGD	
CCN(C(C)=O)c1nc(C=NNC(=O)c2cccn2C)cs1	767232017	LKTOTPRDQXYTJT-UHFFFAOYSA-N	319.390	1.618	50	20	DDGD	
BrC[C@H](CN1CCN(c2nc[nH]n2)CC1)C1CC1	878824691	LVNYBOXLLOSUGL-LLVKDONJSA-N	314.231	1.348	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2CCC(=O)N2C)c(C)c1	873759175	JSLVSCFWMDOMBG-LBPRGKRZSA-N	320.418	1.242	50	20	DDGD	
Cc1nc2ccccc2n1CCC(=O)NNC(=O)CC(C)C	772017219	KGFAQUPEMNJWFU-UHFFFAOYSA-N	302.378	1.928	50	20	DDGD	
Cc1ncc(CCNC(=O)NNC(=O)c2ccccc2C)s1	771951047	WGOFLCJUFXNUDE-UHFFFAOYSA-N	318.402	1.947	50	20	DDGD	
CC(C)(C)OCC(=O)NNc1ccccc1S(C)(=O)=O	778380125	UEFXXBFOCQCGHI-UHFFFAOYSA-N	300.380	1.348	50	20	DDGD	
Cc1cc(C)n2ncc(C(=O)NNc3ccnc(F)c3)c2n1	1116517391	HOGMPQWAPUWXEK-UHFFFAOYSA-N	300.297	1.637	50	20	DDGD	
CNc1snc(C)c1C(=O)NNc1nncc(N)c1Cl	1116302191	RHFVVBUNBKGBDX-UHFFFAOYSA-N	313.774	1.276	50	20	DDGD	
COCCOCCCCNC(=O)NNc1cc(Cl)ccn1	778640137	TUTWEBAMTXABTD-UHFFFAOYSA-N	316.789	1.804	50	20	DDGD	
O=C(NNc1cccnn1)C(=O)Nc1cccc(C(F)F)c1	1116730116	YQIRFBBFHSGCMC-UHFFFAOYSA-N	307.260	1.496	50	20	DDGD	
C=CCOc1ccccc1C(=O)O[C@H](C)C(=O)NNC(=O)CC	771986039	UAQTZEFNSLQLPN-LLVKDONJSA-N	320.345	1.354	50	20	DDGD	
CCOc1cnc(C(=O)NNc2cccc([N+](=O)[O-])c2C)cn1	779012899	XBDSHTNHTOQZDP-UHFFFAOYSA-N	317.305	1.849	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1cnn2ccncc12	1116882393	CIXDLIUFKSYTLR-UHFFFAOYSA-N	316.252	1.534	50	20	DDGD	
O=C(Cc1cc(F)ccc1Br)NNC(=O)C1CC1	771220177	NJTHFEPIVKIQKD-UHFFFAOYSA-N	315.142	1.688	50	20	DDGD	
COc1ccc(NNC(=O)c2cnc(O)c([N+](=O)[O-])c2)cc1	770424021	GKIMEZLIXBAPRZ-UHFFFAOYSA-N	304.262	1.461	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1ccc(-n2cncn2)nc1	771713104	HXTSGIIDFJUPED-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
C=Cn1cc(C=NNC(=O)COc2ccccc2OCC)cn1	773003585	AWAFKGKUZPEQHG-UHFFFAOYSA-N	314.345	1.911	50	20	DDGD	
COC(=O)CNC(=O)NN=C(Cc1cccc(C)c1)C1CC1	779823091	KUZYSJGXLVWDEL-UHFFFAOYSA-N	303.362	1.776	50	20	DDGD	
C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)NNC(=O)c1cccnn1	883493507	MTDLMNFAJUAAKC-GHMZBOCLSA-N	305.382	1.635	50	20	DDGD	
CCCC[C@H](CC)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	886577435	IOLQXPFIADXNIM-STQMWFEESA-N	304.456	1.695	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](CC)Oc1ccccc1F	887144501	PDNYRJVVVMIJIG-ZDUSSCGKSA-N	306.337	1.934	50	20	DDGD	
O=S(=O)(CCCCl)N[C@H]1COc2cc(F)ccc2C1	882399238	AICOTAWSOQGYRS-LLVKDONJSA-N	307.774	1.678	50	20	DDGD	
Cc1csc2ncc(C(=O)NNC(=O)C3CCCC3)c(=O)n12	776302389	NCXWGORWYMLHAS-UHFFFAOYSA-N	320.374	1.016	50	20	DDGD	
Cc1cc(CCCC(=O)NNC(=O)c2cccnn2)c(C)s1	882059109	SHHUGMQLTYXBCY-UHFFFAOYSA-N	318.402	1.939	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNC(=O)c1cccnn1)c1ccccc1	883080862	NGLDIULVFDPDRF-CQSZACIVSA-N	313.361	1.818	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cc(O)cc([N+](=O)[O-])c1	781815206	RTESNEKDPDJSEH-UHFFFAOYSA-N	309.669	1.501	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCc2ccccc21)C1CCOCC1	883060893	APOSSPJYXUAVQO-HNNXBMFYSA-N	302.374	1.681	50	20	DDGD	
O=C(O)c1cc(O)ccc1NS(=O)(=O)CCCCCl	1610814158	KNLBYLLDGQSEKI-UHFFFAOYSA-N	307.755	1.851	50	20	DDGD	
C[C@@H]1CN(C)C(=O)CN1C(=O)[C@@H](Br)C(C)(C)C	783761755	GQQNSLHPCQXLAO-PSASIEDQSA-N	305.216	1.485	50	20	DDGD	
O=C(C[C@@H]1C=CS(=O)(=O)C1)NNc1ccc(F)cc1Cl	885135556	FIHAMGFGAYHFFR-QMMMGPOBSA-N	318.757	1.871	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNC(=O)c2ccc(C)c(O)c2)n1	882051620	MMJABOXTLBKZRF-LLVKDONJSA-N	316.361	1.303	50	20	DDGD	
COCCCN(C)CCNC(=O)[C@H](Br)C(C)(C)C	781093779	NRGVBGBEXMILBT-NSHDSACASA-N	323.275	1.881	50	20	DDGD	
CCNC(=O)NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1ccccc1	785367091	SKFZQHZGRURILG-KWJWQAOWSA-N	315.329	1.371	50	20	DDGD	
CCNC(=O)Nc1cccc(NC(=O)NNC(=O)CC)c1C	788726959	DHCARRJEZANXIE-UHFFFAOYSA-N	307.354	1.699	50	20	DDGD	
CN1CCC[C@@H]1c1cc(C(=O)NNc2ccc(F)cn2)n[nH]1	899195680	ZGBFSEZFYOMNKY-GFCCVEGCSA-N	304.329	1.467	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc2nc(O)oc2c1	899992172	PQEUGNKMVLRVHH-UHFFFAOYSA-N	308.363	1.441	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cnc(C2CC2)o1	899992876	OGQWEVQUQWQYCB-UHFFFAOYSA-N	312.395	1.040	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)COC(F)F)cc2C1	794621903	GJYRWZXJCRHSPP-SSDOTTSWSA-N	318.345	1.873	50	20	DDGD	
CCn1cc(/C=C(\C#N)C(=O)N(CC(F)(F)F)C2CC2)nn1	899356291	JFRYYGICQHHGHR-WEVVVXLNSA-N	313.283	1.758	50	20	DDGD	
CSSCCNC(=O)N[C@H]1CCN(CC(F)(F)F)C1	790771548	UQDHDHFAZOUSJN-QMMMGPOBSA-N	317.402	1.933	50	20	DDGD	
CCCO[C@H](C(=O)NNc1cnnn1C)c1ccc(F)cc1C	899143840	QVRONIUPSVCQSY-AWEZNQCLSA-N	321.356	1.874	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)COc1ccc(F)cc1	792808569	GQUMHQOXFVYHLP-QMTHXVAHSA-N	312.341	1.413	50	20	DDGD	
O=C(NCc1cnc2n1CCCC2)NNc1ncncc1Cl	790970927	LLIOJLHFKDORJD-UHFFFAOYSA-N	321.772	1.489	50	20	DDGD	
Cc1cccnc1NNC(=O)CCn1cc(Br)cn1	791213516	LBTIOBWYJKRAGO-UHFFFAOYSA-N	324.182	1.882	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCCN1CCCCC1=O	791023796	UAZTVPQPMHZBMM-UHFFFAOYSA-N	305.382	1.419	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2cn(-c3ccccc3)nn2)n1	794572036	OCTYRXGUJRPMNZ-UHFFFAOYSA-N	306.329	1.735	50	20	DDGD	
CN(C)C(=O)NNS(=O)(=O)c1ccc(Cl)cc1Cl	797429867	DDSPBLVUJOWTFA-UHFFFAOYSA-N	312.178	1.458	50	20	DDGD	
CCc1cc(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)n[nH]1	798130464	TTXWZAOCTYUOCR-UHFFFAOYSA-N	316.365	1.823	50	20	DDGD	
CC[C@@H](C)CC[C@H](O)CC(=O)NNc1cc(Cl)nc(N)n1	793801416	USTZLTILTKUXET-BDAKNGLRSA-N	315.805	1.733	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)CNc1ccccc1OC	794905378	BHSKHINWQJJXPU-IAQYHMDHSA-N	323.393	1.316	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnc(-c2ccccc2)nc1	798304687	HJDSWFMMKKYXML-UHFFFAOYSA-N	313.386	1.439	50	20	DDGD	
Cc1cc(NNC(=O)c2noc(-c3cccc(F)c3)n2)ncn1	1319893207	LFBSQOUVGWFSKA-UHFFFAOYSA-N	314.280	1.731	50	20	DDGD	
O=C(NNc1cccnn1)C(=O)Nc1ccc(-c2ncco2)cc1	1326090262	XEGFJNRCIBVZPK-UHFFFAOYSA-N	324.300	1.213	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1csc(C(C)(C)C)n1	1251494583	XWOKXNBFCSQANM-UHFFFAOYSA-N	300.453	1.958	50	20	DDGD	
COC(=O)N1CCCN(C(=O)[C@]2(C)C[C@@H]2Br)CC1	1339357957	NUDYBLFIUDLUHP-JOYOIKCWSA-N	319.199	1.461	50	20	DDGD	
Cc1ccccc1[C@H]1CCCN1C(=O)NNC(=O)c1cn[nH]c1	1331312410	IZHGHRFBPNMVJR-CQSZACIVSA-N	313.361	1.910	50	20	DDGD	
O=C(CO)NNC(=O)CC1c2ccccc2Oc2ccccc21	1254645000	CIVNDZIXDRIOMF-UHFFFAOYSA-N	312.325	1.454	50	20	DDGD	
Nc1cnnc(NNC(=O)N[C@@H]2C[C@H]2c2ccco2)c1Cl	1345126002	KQQAEKFPUOBPMF-HTRCEHHLSA-N	308.729	1.487	50	20	DDGD	
C[C@@H](NC(=O)CC1CCCCC1)C(=O)NNc1ccn(C)n1	1261383511	OAODRAKVOLVTAL-LLVKDONJSA-N	307.398	1.338	50	20	DDGD	
O=C(COc1ccccc1Cl)NNc1ccc(C(=O)O)cn1	1601344751	QQAWWVPFXBREPK-UHFFFAOYSA-N	321.720	1.955	50	20	DDGD	
Cn1ncc(NC(=O)NNc2ccc(CC(=O)O)cc2)c1Cl	1608160168	YSFOAECLJRPYCY-UHFFFAOYSA-N	323.740	1.849	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)NCC2=CCOCC2)cc1	1602128287	RBUJARYLJSLTSJ-UHFFFAOYSA-N	305.334	1.287	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2ccc(C(=O)O)cc2F)CCO1	1604676878	QACHFAMUWJDNND-SCZZXKLOSA-N	311.313	1.718	50	20	DDGD	
Cc1c(NNC(=O)CCN2CC[C@H](F)C2)cccc1C(=O)O	1607552309	HUYGNEQBSOICPW-NSHDSACASA-N	309.341	1.570	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)NCCc2ccoc2)cc1	1608781241	UXALHJDAASBSDB-UHFFFAOYSA-N	303.318	1.776	50	20	DDGD	
CN(C)C1CCC(NC(=O)NNc2ncccc2C(=O)O)CC1	1604053648	PKYMHMFGDUPDLQ-UHFFFAOYSA-N	321.381	1.279	50	20	DDGD	
CN(C)Cc1cccc(C(=O)NNc2ccc(C(=O)O)cn2)c1	1606036732	YHTNETNMIKOKIQ-UHFFFAOYSA-N	314.345	1.598	50	20	DDGD	
C[C@H](CC=NNC(=O)COc1ccccc1[N+](=O)[O-])C(=O)O	1609738278	YXVJVWRNPBRCGC-SECBINFHSA-N	309.278	1.186	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NNc1ccc(F)c(C(=O)O)c1	1604620114	JVYRREIQBIUFBZ-IUCAKERBSA-N	308.309	1.972	50	20	DDGD	
COc1cncnc1NC(=O)NNc1cccc(C(=O)O)c1F	1607354864	FMQCUYKZDACXEB-UHFFFAOYSA-N	321.268	1.471	50	20	DDGD	
O=C(COc1ccccc1F)NN[C@H](C(=O)O)c1ccsc1	1608351992	NRIZYSJAZSHZMG-ZDUSSCGKSA-N	324.333	1.713	50	20	DDGD	
Cc1cnc(C=NNC(=O)[C@@H]2CCCO[C@@H]2c2ccnn2C)o1	1549312879	DEMFIXGRLNXWNQ-RISCZKNCSA-N	317.349	1.335	50	20	DDGD	
N#Cc1cc(C(=O)NNc2ccc(C(=O)O)c(Cl)c2)c[nH]1	1610625394	OJXMGZGWVFYIGY-UHFFFAOYSA-N	304.693	1.995	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](F)Cl)n[nH]1	1818037434	GFOOGIHOQAWHTL-KOLCDFICSA-N	302.737	1.956	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2C[C@H]3CC[C@@H]2N3)c1	1579768292	UMLWYLBRGYTVFA-AGIUHOORSA-N	304.419	1.453	50	20	DDGD	
CCCNNC(=O)c1cc(Br)c(OC)cc1N	1577574577	HFINJFJBAVZXMO-UHFFFAOYSA-N	302.172	1.684	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cc(C(=O)O)[nH]n1	1574785598	BBSSHTFAURFOKU-WEVVVXLNSA-N	300.249	1.793	50	20	DDGD	
CC(C)/C=C/C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl	1847568347	TVDWHJYATLKXBH-KTVCLWMCSA-N	314.813	1.000	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2cccc(CC(=O)O)c2)cn1	1594537473	JJVNUDZNGMGUPH-WLRTZDKTSA-N	310.313	1.593	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNc1ncccc1C(=O)O	1594713810	HEVODKNHVUWPJS-UHFFFAOYSA-N	311.301	1.273	50	20	DDGD	
O=C(O)C1(C(=O)NNc2ccc(F)c(F)c2F)CCOCC1	1594867582	OJBMIZWYCRSTIA-UHFFFAOYSA-N	318.251	1.428	50	20	DDGD	
CN(C)[C@H](C(=O)NNc1ccc(C(=O)O)cn1)c1ccccc1	1598162779	JONHIRAKYVCCOV-AWEZNQCLSA-N	314.345	1.526	50	20	DDGD	
O=C(Cc1ccnc(F)c1)NNc1ccc(-c2nn[nH]n2)cc1	1592927307	JIAZBFPVIQENMX-UHFFFAOYSA-N	313.296	1.087	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC/C=C(\C)C(=O)O)c1ccccc1	1594737325	TZTBXDHUTMPBHC-STRFDMGBSA-N	319.361	1.542	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)CCCCC(=O)O	1593642657	SJUXCACBIBKZAY-UHFFFAOYSA-N	322.361	1.420	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)Nc1ccnc(C(=O)O)c1	1594782288	WBNUKDGLPHBOFZ-UHFFFAOYSA-N	324.300	1.872	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1ccc(/C=C\C(=O)O)o1	1776903985	YTLBGYBCYWBNCE-WTVYDBEASA-N	318.329	1.827	50	20	DDGD	
NC(=O)NN=Cc1ccccc1OCc1ccc(C(=O)O)o1	1776033111	ZREGHCFVWYOQQL-UHFFFAOYSA-N	303.274	1.559	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1c(F)cc(C(=O)O)cc1F	1776129296	CPERQFRPKFJHGA-BJMVGYQFSA-N	324.283	1.723	50	20	DDGD	
CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](Cl)CC)C2)C1	1781212647	DHXQLOXZIREOLN-DOMZBBRYSA-N	316.829	1.634	50	20	DDGD	
CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCBr)C2	1795488183	ZQLJFTQKBJPCQL-JGPRNRPPSA-N	317.227	1.820	50	20	DDGD	
Cc1nc(CC(=O)NNC(=S)NC(C)(C)C)c(C)s1	161126968	OQQXDIZCQOJMFS-UHFFFAOYSA-N	300.453	1.596	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=O)c1cccn1C	163249254	ZBZCSLAMXWFNIZ-UHFFFAOYSA-N	317.305	1.708	50	20	DDGD	
Cc1ccc(C(=O)C(=O)NNc2ncccc2[N+](=O)[O-])cc1	153458717	RJGUTNYSKNPULR-UHFFFAOYSA-N	300.274	1.624	50	20	DDGD	
O=C(Cc1c(F)cccc1Cl)NNc1ncnc2nc[nH]c12	156232284	JNOQLWFHDQTXNA-UHFFFAOYSA-N	320.715	1.831	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)OC(C)(C)C)cc1F	154820153	VFKGEXGZKIYNQH-UHFFFAOYSA-N	304.343	1.852	50	20	DDGD	
Cc1ccccc1[C@@H]1C[C@H]1C(=O)NNc1ncnc2nc[nH]c12	173966102	LDUMJASYYFBNNO-NWDGAFQWSA-N	308.345	1.908	50	20	DDGD	
CNC(=O)NNC(=O)[C@@H](C)Oc1ccccc1Br	112277780	ZVKOTFYADUIXPC-SSDOTTSWSA-N	316.155	1.177	50	20	DDGD	
CO[C@@H](C)C(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1	55118090	DQVONPLQRYGTAG-NWDGAFQWSA-N	316.357	1.789	50	20	DDGD	
CCO[C@@H](CCNC(=O)NNC(=O)c1ccc(C)o1)C(C)C	177302353	AYKMQLNXLUJVMK-LBPRGKRZSA-N	311.382	1.983	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)COc2ccccc2C#N)c1	23723306	KBQGATQBQOCVKN-UHFFFAOYSA-N	320.308	1.270	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N1CCC[C@H]1C	174590257	XXYKXCUEGNYMQO-SNVBAGLBSA-N	301.350	1.481	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ccnc(F)c2)cc1	119504979	LKKUFNUHDQPSMC-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
CN(C)N(C(=O)CCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1	119891299	VTZXWCDRUXUENP-OAHLLOKOSA-N	324.446	1.502	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn(C)c2-n2cccc2)o1	176212562	RSRLPVCKGWCHJA-UHFFFAOYSA-N	313.317	1.187	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCc1nc2cc(F)ccc2[nH]1	178970328	LGBGAWASRCRDDT-MDZDMXLPSA-N	302.309	1.805	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)Nc2cccc(F)c2F)cc1	119674839	BRGKUEJTHNHTNE-UHFFFAOYSA-N	316.267	1.918	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cc2ccccc2oc1=O	123317297	SSZMDIHEDMSFER-UHFFFAOYSA-N	300.249	1.479	50	20	DDGD	
NC(=O)c1ccc(CNS(=O)(=O)CCCCCl)cc1	153330513	DENTXOOHCSQTNM-UHFFFAOYSA-N	304.799	1.224	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CN2CCC3(CCC3)C2)c1	123220841	XUMWVZQWYMYULY-UHFFFAOYSA-N	312.373	1.195	50	20	DDGD	
CC#CCCCC(=O)NNC(=O)CNc1ccccc1OC	186379918	NMYCDCWRMBUYNV-UHFFFAOYSA-N	303.362	1.448	50	20	DDGD	
COc1ccncc1NC(=O)C(=O)NNc1ccc(F)cc1C	189183239	MSXNBIVSASOUGB-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNc2ccc3ccccc3n2)C1	181113365	NMOVWYRDAUOBEW-CYBMUJFWSA-N	312.373	1.936	50	20	DDGD	
CO[C@H](C)C(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C	79272957	XWDUCBRWGDCTPE-CYBMUJFWSA-N	315.373	1.890	50	20	DDGD	
CCN(CC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F)C1CC1	126066578	JAUVAFLOHFCJJF-LLVKDONJSA-N	323.368	1.225	50	20	DDGD	
O=C(CCCc1nc2ccccc2c(=O)[nH]1)NNc1ccccn1	181201502	GFOWLDAFWKSPRF-UHFFFAOYSA-N	323.356	1.784	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)[C@@H]1CCCCO1	127215157	PGCQRGXLWBYNPE-AWEZNQCLSA-N	301.346	1.358	50	20	DDGD	
Cn1cc(C(=O)C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)cn1	125401155	VXGDEBWQDONBMI-UHFFFAOYSA-N	323.696	1.308	50	20	DDGD	
CCC[C@@H]1C[C@H](C(=O)NNC(=O)NCc2ccco2)CCO1	183617346	NMZWGGISQGIPEB-VXGBXAGGSA-N	309.366	1.705	50	20	DDGD	
CC[C@H]1CCCCN1CCNC(=O)NNc1nccc(OC)n1	77644845	YGFRHDIDBLDYKK-LBPRGKRZSA-N	322.413	1.376	50	20	DDGD	
O=C(CC[C@@H]1CCOC1)NNc1nc2ccccc2c(=O)[nH]1	137213199	VHMMUTSYVKEXGF-SNVBAGLBSA-N	302.334	1.183	50	20	DDGD	
C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NNC(=O)C2CC2)CC1=O	78304282	LFCQBQKJDXKROQ-FZMZJTMJSA-N	315.373	1.154	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCCCCl)c1nnc2n1CCC2	228328617	JEPKMDRDURJVSD-SECBINFHSA-N	306.819	1.224	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(O)c([N+](=O)[O-])c1	192567412	SKUCPAZFGVGYMP-QQCYMQAYSA-N	305.290	1.358	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)Cc1ccc(O)cc1	133670067	QMYFQGBVSUUWPE-UHFFFAOYSA-N	314.341	1.421	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1ccnc(F)c1F	193536984	YMRNSSUDOAXLCJ-UHFFFAOYSA-N	305.284	1.754	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1nccn1-c1ccccc1	191219587	UWRSQUAZRSDBGF-WYMLVPIESA-N	310.357	1.932	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)NC2CCCCC2)cn1	192720756	HGBUNOLQVRBEOZ-UHFFFAOYSA-N	306.366	1.757	50	20	DDGD	
O=C(CS[C@@H]1CCS(=O)(=O)C1)NNc1ccc(F)cc1	47832927	VGXGLWCTAWAETE-LLVKDONJSA-N	318.395	1.189	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C#Cc2ccccc2)c1	81107288	MSBXYAARKPDKIW-UHFFFAOYSA-N	322.364	1.881	50	20	DDGD	
CO[C@H](C)CC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	195488738	LGYPSVANDQOGPC-SNVBAGLBSA-N	302.334	1.263	50	20	DDGD	
CCCOCC(=O)NNC(=O)c1ccc(OCC)c(OC)c1	146839488	JSUDFADNDVHBBY-UHFFFAOYSA-N	310.350	1.282	50	20	DDGD	
O=C(NN=Cc1ccc(O)c(O)c1)c1cc([N+](=O)[O-])ccc1O	254348243	HYEGUZZXSOCIHN-UHFFFAOYSA-N	317.257	1.476	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1c[nH]c2ccccc12)[C@H]1CCOC1	266481935	CDCDQVVEENVCEU-MNOVXSKESA-N	316.361	1.537	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1	263934403	ZXESCECEXRMPDA-UHFFFAOYSA-N	316.405	1.788	50	20	DDGD	
CS(=O)(=O)c1ccc(NC(=O)NNC(=O)C2CCC2)cc1	266533487	NLLJLGXOXXHDCV-UHFFFAOYSA-N	311.363	1.043	50	20	DDGD	
Cc1cc(OCC(=O)NNC(=O)NC2CC2)cc(C)c1Cl	268850099	KCZINQGHFJWTMW-UHFFFAOYSA-N	311.769	1.828	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=S)N[C@@H](C)C2CC2)c1	263869617	DEPPRRPHZWECRB-VIFPVBQESA-N	323.418	1.611	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1cc2c(s1)CCOC2	369757351	LMFKZRGQDOCWPE-UHFFFAOYSA-N	316.346	1.244	50	20	DDGD	
O=C(NNC(=O)c1cc2n(n1)CCO2)Nc1cc(F)cc(F)c1	366086852	YPDHOJPZYXNHCP-UHFFFAOYSA-N	323.259	1.020	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C[C@](C)(O)C2CC2)c1	270019528	ABRREIKOZKVIOG-KRWDZBQOSA-N	320.389	1.381	50	20	DDGD	
CC[C@H](COC)NC(=O)NNc1cccc(S(C)(=O)=O)c1	271906570	NXOJKZKFWASSBD-SNVBAGLBSA-N	315.395	1.141	50	20	DDGD	
CC1(C)CCC[C@@H](NC(=O)NNC(=O)Cc2ccncc2)C1	276863312	CWYOZKNFOFIXCV-CYBMUJFWSA-N	304.394	1.923	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)[C@@H]1C[C@]12CCOC2	364849667	GASDYBJVDGMNIK-CPCISQLKSA-N	302.256	1.365	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H](NC(=O)NNc2ccc(OC)cn2)C1	278870866	BUGWCJGYBRBTML-VHSXEESVSA-N	308.338	1.058	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](NC(=O)NNC(=O)Cc2ccncc2)CCO1	271585033	VZBKVZKFZTZGSH-KBPBESRZSA-N	320.393	1.158	50	20	DDGD	
CC(C)Cn1cc(NC(=O)C(=O)NN(C)c2ccccc2)cn1	275618930	ABLIEWHZLZYMMT-UHFFFAOYSA-N	315.377	1.645	50	20	DDGD	
CCOC1CC2(CCN(C(=O)NNC(=O)c3ccccc3)C2)C1	376291492	VFDAMSJXVAMAIV-UHFFFAOYSA-N	317.389	1.932	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CCN(c3ccccc3F)C2)ncn1	377934325	WISYMFIIEPWTMX-LBPRGKRZSA-N	315.352	1.894	50	20	DDGD	
Cc1cc(CNC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)n(C)n1	285823584	WLBSCMFAQJQTSE-MKMNVTDBSA-N	322.372	1.471	50	20	DDGD	
CCc1cc(C)cc(CC)c1NC(=O)NNC(=O)CN(C)C	280815107	STQHORXJNXOMMW-UHFFFAOYSA-N	306.410	1.834	50	20	DDGD	
O=C(NNC(=O)C1(O)CCC1)Nc1ccc(OC(F)F)cc1	283762018	NDISBRADCSRMIA-UHFFFAOYSA-N	315.276	1.356	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H](OC(C)C)c1ccccc1	292079315	WSEYFAKBOYNHRJ-ZDUSSCGKSA-N	307.419	1.834	50	20	DDGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NNc1nccnc1C(C)C	803226525	YDIBYVPCMPYSPA-GWCFXTLKSA-N	307.398	1.594	50	20	DDGD	
CN(NC(=O)CCc1ccccc1C(N)=O)C(=O)OC(C)(C)C	297340101	SMEOSMNCCHBGEX-UHFFFAOYSA-N	321.377	1.616	50	20	DDGD	
Cc1cccc(C2(C(=O)NNC(=O)[C@H]3CCCCO3)CC2)c1	295595769	PLLSJTKNOBNDLW-CQSZACIVSA-N	302.374	1.743	50	20	DDGD	
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NS(=O)(=O)CCl	389872072	QIKZTWOBXKRIAA-YPMHNXCESA-N	302.827	1.623	50	20	DDGD	
CCOc1cc(C(=O)NNC(=O)c2ccc(CC)cc2)on1	294280063	HGXYSOBXSRDHDR-UHFFFAOYSA-N	303.318	1.711	50	20	DDGD	
Cn1c(NNC(=O)[C@@H](F)C(F)(F)F)nc2ccccc2c1=O	291254661	KCJWYVJRSOJZES-MRVPVSSYSA-N	318.230	1.277	50	20	DDGD	
O=C(NNC(=O)c1[nH]cnc1C(=O)c1ccccc1)c1ccc[nH]1	806323440	QZSLMKWMERPSPV-UHFFFAOYSA-N	323.312	1.044	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC2CC2)c(C)c1OC	804302908	LPDVFWIYQZHETM-UHFFFAOYSA-N	307.350	1.366	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)CCCC(N)=O)cc2C1	299348579	JJDQPDOVAJBWNE-VIFPVBQESA-N	323.418	1.290	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1ccc2c(=O)[nH]ccc2c1	803436318	YPIAIAMNIXQPNO-HNNXBMFYSA-N	310.357	1.069	50	20	DDGD	
COc1cccc(NNC(=O)NC2C[C@@H]3CC[C@H](C2)N3C)n1	297140377	SYAOFAFPYPDYMB-YOGCLGLASA-N	305.382	1.342	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H]2CCN(C(=O)CC)C2)cc1	294344988	MXJVTDXQLLQUOZ-GFCCVEGCSA-N	305.378	1.787	50	20	DDGD	
Cc1ccc([C@@H](C)NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	297481504	VMWFNFAEQVGJKQ-SCRDCRAPSA-N	305.378	1.954	50	20	DDGD	
C[C@H]1C(=NNC(=O)c2cnccn2)CC[C@@H](C(=O)O)C1(C)C	814793468	GFKLUAHRLPLYNM-UWVGGRQHSA-N	304.350	1.719	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H](C)C2(OC)CCOCC2)nc1	817177328	FOHNMVXVYFYEET-LLVKDONJSA-N	324.381	1.300	50	20	DDGD	
COC(=O)[C@@H]1C[C@H]2CC(=NNC(=O)NCc3ccco3)[C@H]1C2	817322994	DVLXSVPTTGOOSW-ZMLRMANQSA-N	305.334	1.654	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ncncc1F)Oc1ccccc1F	814306506	ADWVBZXXROTBHZ-VIFPVBQESA-N	323.303	1.848	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)COc1cc(C)ccc1C	812445644	VQNRJNIXIFXNMF-KGLIPLIRSA-N	322.405	1.748	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)[C@H]1CCCSC1	811455593	MNCYEIAFOYXAMI-JTQLQIEISA-N	304.379	1.249	50	20	DDGD	
O=C(NNc1nc(-c2ccccn2)nc2c1CCC2)C(F)F	810442623	ZJOFDDSCOYSXBC-UHFFFAOYSA-N	305.288	1.736	50	20	DDGD	
CC(CN1Cc2ccccc2C1=O)=NNC(=O)N=c1cc[nH]cc1	815002635	KEOYIXLBBIEGGP-UHFFFAOYSA-N	323.356	1.657	50	20	DDGD	
COc1cc(C(=O)NN=Cc2nccs2)cc(OC)c1OC	814699007	YFRDBROADQTIEH-UHFFFAOYSA-N	321.358	1.933	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)Nc1cc2c(cn1)CCCC2	813016087	QXYXCCZIMLPIGK-UHFFFAOYSA-N	314.349	1.079	50	20	DDGD	
CN(NC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)C1CC1	819645902	WETKFZVPVANKDE-HNNXBMFYSA-N	315.417	1.593	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@@H](C)[C@H]1OCCc2sccc21	813867242	OQWZEPAYRFFGRB-JOYOIKCWSA-N	311.407	1.737	50	20	DDGD	
O=C(NCCCC1(O)CCC1)NNC(=O)c1ccccc1F	817166903	IKBIFYQNWMXXHH-UHFFFAOYSA-N	309.341	1.465	50	20	DDGD	
O=C(Cc1nsc2ccccc12)NNC(=O)NCC1CC1	819164530	SPEJBFVXWOJWHH-UHFFFAOYSA-N	304.375	1.579	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(Cc1ccccc1OC)OC	810110761	YTNAQLSBEIRWFF-NSHDSACASA-N	309.366	1.005	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)[C@]2(C)CC2(F)F)nc2ccccc21	817512963	KTXPJVQOSXZEPA-AWEZNQCLSA-N	322.315	1.309	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1ccc(CN(C)C)cc1	814821280	PDAFVKOFKVPCQR-UHFFFAOYSA-N	304.394	1.514	50	20	DDGD	
C[C@H]1CN(CCNC(=O)NNc2ccccc2Cl)CCO1	726260124	PZGPLYZQUXCESO-NSHDSACASA-N	312.801	1.687	50	20	DDGD	
Cc1ccc(CC(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1O	826286846	SNZLZJLXDRWTAA-UHFFFAOYSA-N	324.344	1.567	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)OCCN2CCNC2=O)c1	729205270	MCQNPBSFFBHJDK-LCYFTJDESA-N	315.329	1.171	50	20	DDGD	
C[C@@H]1C[C@H](CCNC(=O)/C(C#N)=C/c2cnn(C)c2)CCO1	491086780	VEKMIRMHVIUSHQ-FCOKVBTJSA-N	302.378	1.648	50	20	DDGD	
N#C[C@H]1CC[C@@H](NC(=O)NNC(=O)c2cccc3ncccc23)C1	823890894	DEAIFYMMRKEDLE-NWDGAFQWSA-N	323.356	1.871	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC(C)C)c(C)n1-c1cnn(C)c1	824404403	PRDWWBHDNJIEGK-UHFFFAOYSA-N	318.381	1.180	50	20	DDGD	
O=C(NNC(=S)NCCc1cccnc1)Nc1ccccc1	727692833	YJIZZHGVLHHNJW-UHFFFAOYSA-N	315.402	1.825	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc(Cl)n1	823474928	MHTRGWNWRPZCGQ-KCJUWKMLSA-N	311.769	1.483	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(c2cccc(F)c2)C(=O)C1	490880705	WACNURLJCUDSQK-QXMHVHEDSA-N	317.320	1.445	50	20	DDGD	
CC[C@H](NS(=O)(=O)CCl)C(=O)NCc1cccs1	828053768	AZBOUBKRJVIBTE-VIFPVBQESA-N	310.828	1.259	50	20	DDGD	
CCCN(NC(=O)CN1CCOC1=O)C(=O)OC(C)(C)C	822885773	UXKVSNHYXYQHCG-UHFFFAOYSA-N	301.343	1.117	50	20	DDGD	
CC(C)(C=NNC(=O)Cc1cc[nH]n1)CNC(=O)OC(C)(C)C	496980529	RHXYMOCITHFNSR-UHFFFAOYSA-N	323.397	1.605	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(F)cc(N2CCOCC2)c1	823951389	POESAGJJRXZIIV-UHFFFAOYSA-N	324.356	1.016	50	20	DDGD	
Cc1nc(Br)sc1C(=O)NNC(=O)C1CCC1	827209464	AIVKZNMRKIIBTP-UHFFFAOYSA-N	318.196	1.775	50	20	DDGD	
CCN1CCC(CCNC(=O)/C(C#N)=C\c2cnn(C)c2)CC1	491177030	TXQSMXNOBRPVEH-YBEGLDIGSA-N	315.421	1.565	50	20	DDGD	
Cc1ccccc1OCC(=O)NNC(=S)NCC1CCC1	727270113	FQFYPRXBKBIKKD-UHFFFAOYSA-N	307.419	1.669	50	20	DDGD	
O=C(/C=C\C1CC1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	826399679	CFOOEGOWVAUOHN-ARJAWSKDSA-N	305.729	1.324	50	20	DDGD	
CCOC(=O)Nc1ccc(F)c(C(=O)NN(C)C[C@H](C)O)c1	822564038	VSTCKSYDSMHCMR-VIFPVBQESA-N	313.329	1.352	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@]2(Cl)C[C@H]3CC[C@H]2O3)n1	907890903	BEJOYSKWHCXWKS-GLXFQSAKSA-N	309.753	1.080	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC2(CCC2)[C@@H]1C1CCOCC1	823660130	FPYXXLSUPJHBNB-WFASDCNBSA-N	323.437	1.213	50	20	DDGD	
CN(NC(=O)CCn1cc(Cl)cn1)C(=O)OC(C)(C)C	496554801	VYJWSUVKJKITAR-UHFFFAOYSA-N	302.762	1.825	50	20	DDGD	
CC1(C)C[C@@H](O)c2cc(NCc3ccccc3B(O)O)ccc21	585036482	KWMLZWFXEKAIEW-QGZVFWFLSA-N	311.190	1.693	50	20	DDGD	
C[C@H](C(=O)NN(C)[C@H](C)CO)c1cccc(Br)c1	823921717	ANTMEIYXRINVRW-ZJUUUORDSA-N	315.211	1.896	50	20	DDGD	
CCC(CC)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	820892953	HGTQYJBPPTZMJD-UHFFFAOYSA-N	316.365	1.454	50	20	DDGD	
O=C(NN[C@H](C(=O)O)c1cccc(Cl)c1)c1cnccn1	739453069	BSWGIANEGOAISG-NSHDSACASA-N	306.709	1.190	50	20	DDGD	
CCSc1ccc([N+](=O)[O-])cc1C(=O)NN(CC)CCO	823869231	DPLOMUPFIZYZHL-UHFFFAOYSA-N	313.379	1.666	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1c(CC)cccc1CC	736062249	AGTSJTTVVXSQEZ-UHFFFAOYSA-N	313.423	1.714	50	20	DDGD	
COC(=O)NNC(=O)c1cnc(SC)n1-c1ccccc1	490576559	RKAGXTXJDBAOKX-UHFFFAOYSA-N	306.347	1.595	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CCC(F)(F)C2)cc(C#N)n1C	490813463	PMMVDQOOUHBMGM-LFYBBSHMSA-N	304.300	1.980	50	20	DDGD	
CC1(C)CN(C(=O)c2ccc(B(O)O)c(F)c2)[C@H]2CCC[C@H]21	584995250	TUPZCOZHSZNHHI-RISCZKNCSA-N	305.158	1.156	50	20	DDGD	
CN1CCCC(C)(C)[C@@H]1CNC(=O)/C(C#N)=C\c1cnn(C)c1	491006532	DPBJIZTXQVKKMW-OWTLUSIOSA-N	315.421	1.564	50	20	DDGD	
CCOc1ccc(C(=O)CCC(=O)N2CC[C@@H](B(O)O)C2)cc1	585073982	HCNLUWCTCKNCCL-CYBMUJFWSA-N	319.166	1.124	50	20	DDGD	
C[C@H]1CN(CCI)CCN(C2CC2)C1	830087423	JGONZTWQYVVVIG-JTQLQIEISA-N	308.207	1.838	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NNc2cccnn2)C1	496197745	PXBWIZDDZPJJPF-AOOOYVTPSA-N	307.354	1.223	50	20	DDGD	
Cc1cn(-c2ccc(F)cc2)nc1C(=O)N1CC[C@@H](B(O)O)C1	585065017	UIMJXZZTBCWZIJ-LLVKDONJSA-N	317.129	1.009	50	20	DDGD	
Cc1cc([C@H](C)NCc2ccc(B(O)O)cc2)cc(C)c1F	585030314	YUUZLASDVGSWGF-ZDUSSCGKSA-N	301.170	1.973	50	20	DDGD	
CC(=O)NN=C1C(=O)Nc2c(Cl)cc(Br)cc21	735609480	UNCUOXLBQIXPOT-UHFFFAOYSA-N	316.542	1.895	50	20	DDGD	
CC(C)CCCCC(=O)NNC(=O)CNC(=O)c1cccnc1	839706495	RSPJFTIOKZBKPA-UHFFFAOYSA-N	320.393	1.175	50	20	DDGD	
CC1(C)CCN(CCNS(=O)(=O)CC(C)(C)CCl)C1	908083803	XHLWINLWJRSAKB-UHFFFAOYSA-N	310.891	1.903	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CCO[C@@H](C)C2)cc1F	837057494	FSYHGJOISDYVBW-UWVGGRQHSA-N	310.325	1.871	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCC(n2c(C)ccc2C)CC1	732200497	XUBSDSSCFMMKLF-CQSZACIVSA-N	320.437	1.688	50	20	DDGD	
CC(C)Cn1cc(C(=O)N2CC[C@@H](B(O)O)C2)c2ccccc21	585067293	VUWPBWAUOPNCBB-CYBMUJFWSA-N	314.194	1.986	50	20	DDGD	
Cc1ncsc1C(=O)NN[C@@H](C(=O)O)c1ccccc1F	833010801	ULGSBLLBIKJLCO-SNVBAGLBSA-N	309.322	1.651	50	20	DDGD	
O=C(C[C@H]1OCCc2ccsc21)Nc1cccc(B(O)O)c1	584909858	JHUBDBXILGYWIT-CYBMUJFWSA-N	317.175	1.071	50	20	DDGD	
COc1ccccc1[C@@H](C)NCc1ccc(B(O)O)cc1F	585016316	MBIAAYKDSJAOHB-LLVKDONJSA-N	303.142	1.365	50	20	DDGD	
Cc1cc(CC(=O)NN=C2CCC(O)(C(F)(F)F)CC2)n[nH]1	734747045	VWTBDYUBRNKCFZ-UHFFFAOYSA-N	318.299	1.600	50	20	DDGD	
C[C@H](NC(=O)c1cc(B(O)O)ccc1F)[C@@H]1CCCC[C@H]1C	584994533	AVTZERPMUMNGDL-NTZNESFSSA-N	307.174	1.450	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1ccc(C(=O)O)cc1	831757221	LICPYCYWRCEMAA-LLVKDONJSA-N	308.334	1.277	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1	732574843	CFFQBUQVBNRZCB-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
COc1cccc(C)c1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	831735619	RFYCUIKXSYRYEG-WDEREUQCSA-N	307.350	1.581	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2	837313212	YAMDGBMDYWSNJS-CYZMBNFOSA-N	320.776	1.645	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1NC(=O)NNC(=O)CCOc1ccccc1	838761239	MKSCVLKETREBLO-UONOGXRCSA-N	305.378	1.830	50	20	DDGD	
O=C(NNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(Cl)nc1	918597305	RSJHIZCWKNYFTF-UHFFFAOYSA-N	309.669	1.046	50	20	DDGD	
COCCCOc1cccc(C=NNC(=O)N2CCOCC2)c1	746495099	YARKDTVXVCJLEA-UHFFFAOYSA-N	321.377	1.478	50	20	DDGD	
COc1c(F)cc(S(=O)(=O)NCCCSC#N)cc1F	917007421	NPJCSARGLSFJMK-UHFFFAOYSA-N	322.358	1.856	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(N2CCC(O)CC2)cc1	746128681	DQYGOOGEAGYFBO-UHFFFAOYSA-N	319.405	1.455	50	20	DDGD	
CC[C@@H](OC1CCCC1)C(=O)NNc1ccnc(N(C)C)n1	740107965	SDSGSBWGXJTHHH-GFCCVEGCSA-N	307.398	1.724	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCc1ccoc1C	919910604	MNMWWRVVHOIETE-UHFFFAOYSA-N	317.345	1.670	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@@H]1NC(=O)O[C@H]1C	841413972	OHTIOQSPKDZGQX-JOYOIKCWSA-N	300.318	1.483	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(C)c([N+](=O)[O-])c1	748260361	RNUJOFVBYLZMPY-NSHDSACASA-N	309.322	1.405	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(F)c(F)c1F	843651755	FLAYXCKICGOOLD-RNFRBKRXSA-N	302.252	1.290	50	20	DDGD	
CCN(CC)CCC(=O)NNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2	916126836	MBIOSALXJMCMGO-AVGNSLFASA-N	312.483	1.402	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1ccccc1C(=O)N(C)C	842549421	LVTKSTOWUGCUEH-AAEUAGOBSA-N	303.362	1.264	50	20	DDGD	
Cc1ccc([C@@H](C)[C@@H](O)C(=O)NNC(=O)c2ccccc2)cc1	748011462	HVIIFLWZJHAMDW-CZUORRHYSA-N	312.369	1.921	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cccc3c2OCCO3)n1	917540391	MWKBMJPQEQEZLH-UHFFFAOYSA-N	314.345	1.421	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CC[C@H](CN)C2)c1F	842012088	XBBPCIQDHNTAQF-UWVGGRQHSA-N	324.356	1.366	50	20	DDGD	
O=C(NCCC[C@H]1CC1(Cl)Cl)NNC(=O)c1ccc[nH]1	845665278	DUEODGVGJBQPLJ-QMMMGPOBSA-N	319.192	1.933	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](C)[C@H]1CCCNC1	841927998	QBQMOLXGLNODOB-STQMWFEESA-N	304.394	1.327	50	20	DDGD	
CN(C)Cc1cccc(CNC(=O)NNC(=O)C2CCCC2)c1	916568878	IOIBFAOESRUAGT-UHFFFAOYSA-N	318.421	1.769	50	20	DDGD	
CCOC(=O)[C@H](Cc1ccccc1)NNC(=O)[C@@H]1CCCCO1	842151653	WMEYVAQEIFGIRS-GJZGRUSLSA-N	320.389	1.351	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1c(C(F)(F)F)nc2ccccn12	841376043	PMAPGIIDZIWRHZ-UHFFFAOYSA-N	312.251	1.524	50	20	DDGD	
CC(C)O[C@@H]1CCCN(C(=O)NNC(=O)c2ccccc2)C1	846701842	BZKMNPWZDIVWTB-CQSZACIVSA-N	305.378	1.930	50	20	DDGD	
CC(=O)c1ccc2c(c1)CN(S(=O)(=O)CBr)C2	841559059	ZDESZZIRNMMHJC-UHFFFAOYSA-N	318.192	1.887	50	20	DDGD	
C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H]2CC23CCCC3)C[C@@H](C)O1	747513957	SITZNBGQJVVRAC-MCIONIFRSA-N	323.437	1.213	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)[C@@H]1CCc2c[nH]nc2C1	743410432	NCPVDQOAWMSUCA-SNVBAGLBSA-N	308.345	1.601	50	20	DDGD	
CC(C)(C)N1C[C@@H](C(=O)NNC(=O)NC2CCCCC2)CC1=O	914748981	RLWOLOBYXYSYQU-NSHDSACASA-N	324.425	1.297	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)[C@@H](C)c1ccccc1	746368993	KYCFAUIPAXIDPY-BXUZGUMPSA-N	308.403	1.717	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c2n[nH]cc2c1	843974968	PUDOLDLMDDKJDU-ONGXEEELSA-N	302.334	1.057	50	20	DDGD	
Cc1cc(C)c2cc(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)[nH]c2c1	843977574	UEVTXNMCUPLBFE-NWDGAFQWSA-N	315.373	1.971	50	20	DDGD	
O=C(OCCCF)Oc1ccc([N+](=O)[O-])cc1-n1cnnn1	841509130	JKCBXPCIAMGANC-UHFFFAOYSA-N	311.229	1.446	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=Cc2ccsc2)c1	915051980	CCAWQZJWEHXMEJ-UHFFFAOYSA-N	308.384	1.916	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)CCCN)cc1OCC	841012210	BHXSSYKAEDOQKD-UHFFFAOYSA-N	324.381	1.376	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1ccccc1[N+](=O)[O-]	740762469	SQFRDUNCDWXELQ-UHFFFAOYSA-N	320.349	1.740	50	20	DDGD	
CCCNC(=O)NN=Cc1ccccc1OCC(=O)N(C)C	920988706	UBZBWYDPZYTWDA-UHFFFAOYSA-N	306.366	1.197	50	20	DDGD	
O=C(NN=C1CCN(CC(F)(F)F)CC1)c1ncccn1	841663485	URGXVGKFYYCTEH-UHFFFAOYSA-N	301.272	1.221	50	20	DDGD	
COc1ncc(C(=O)NNc2ccc(-c3ccccc3)nn2)cn1	754467220	HRTMYJRZESNGLK-UHFFFAOYSA-N	322.328	1.699	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1C1CC1)c1cnn(-c2ccccc2)c1	751276358	YJZWGTFZFOQUAT-HUUCEWRRSA-N	310.357	1.679	50	20	DDGD	
O=C(NC[C@H]1COCO1)NNc1cc(Cl)ccc1Cl	923853545	JFDCEWUPXJCEKS-QMMMGPOBSA-N	306.149	1.992	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)C1CCOCC1)N1CCCCC1	923064276	NWEKNACELHDUHE-CQSZACIVSA-N	311.426	1.071	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Cn2nccc2C)cc1C	858130781	YGFNNADSAZJDKI-UHFFFAOYSA-N	316.361	1.035	50	20	DDGD	
O=C(NNc1nc2ccc(Cl)cc2s1)C(=O)NC1CC1	856234274	SCDOSCZSPPUMAR-UHFFFAOYSA-N	310.766	1.671	50	20	DDGD	
O=C(NNc1ncncc1Cl)C(F)(F)c1nccs1	757606016	XPRHJEIPWSSBDK-UHFFFAOYSA-N	305.697	1.822	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H](C)c1cccc(OC)c1	920862615	FBJITDUEASMXNN-NSHDSACASA-N	309.366	1.166	50	20	DDGD	
CC(CN1C(=O)CCC1=O)=NNC(=O)c1ccc2ccccc2n1	754901893	VGUQVZLAXPDHBB-UHFFFAOYSA-N	324.340	1.490	50	20	DDGD	
COCC(=NNC(=O)C(=O)Nc1ccc(C)c(C)c1)C1CC1	754258364	LSVITCWFZDHOJR-UHFFFAOYSA-N	303.362	1.771	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)Nc1ccc(F)nc1	757719363	IXDRRNXNDGGQHO-UHFFFAOYSA-N	322.271	1.592	50	20	DDGD	
Cc1ccc(CCC=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cn1	853389414	HZZFKVQZMHUIAE-CVEARBPZSA-N	316.405	1.288	50	20	DDGD	
Cc1ccccc1C[C@H](C)C(=O)NNC(=O)c1c[nH]nc1C	859266097	CZVAJWMIAFSPIT-NSHDSACASA-N	300.362	1.666	50	20	DDGD	
CCO[C@@H](CC(=O)NN(C)C(=S)NCCCOC)C(C)C	854282742	SDLCCBAAQKZOII-LBPRGKRZSA-N	319.471	1.312	50	20	DDGD	
CN(NC(=O)c1ccc(Cl)nc1N)C(=O)OC(C)(C)C	854918985	QRAKOHSDOJCCNC-UHFFFAOYSA-N	300.746	1.829	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(F)cc(N2CCOCC2)c1	854409919	OEZHILDKNYSBDB-UHFFFAOYSA-N	311.313	1.005	50	20	DDGD	
CON(C)C(=O)[C@@H](C)NC(=O)NNc1c(F)cc(F)cc1F	923480825	UGDVVESUDMKWGY-ZCFIWIBFSA-N	320.271	1.138	50	20	DDGD	
CC(C)(C)OC(=O)C1(C(=O)NNc2ccncn2)CC=CC1	854746930	IVQCWSXTGAPUDO-UHFFFAOYSA-N	304.350	1.598	50	20	DDGD	
C=C[C@@H](CC)CC(=O)NNC(=O)COc1ccccc1OC	929247052	XMJFARWMILNYHO-LBPRGKRZSA-N	306.362	1.824	50	20	DDGD	
Cc1nc(C)c([C@H](C)N(C)C(=O)NNC(=O)c2cn[nH]c2)s1	858704671	OOVVJORGJHZFEL-QMMMGPOBSA-N	322.394	1.530	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NNc1cc(F)cc(Cl)c1	855618581	KZHGKVQOHMYCNN-SNVBAGLBSA-N	302.737	1.759	50	20	DDGD	
CCN(C)C(=O)[C@H](C)NC(=O)NC[C@@]1(C)C[C@@H]1Br	856851369	FFZLWAKNJLXDHN-HOTUBEGUSA-N	320.231	1.326	50	20	DDGD	
CCCN(CC)CCNC(=O)NNC(=O)c1cc(C)cs1	858287242	PJGAXKZLAAPUGO-UHFFFAOYSA-N	312.439	1.732	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2n[nH]c(C)c2[N+](=O)[O-])c1	759319360	LGFSFIUYJIQXQW-UHFFFAOYSA-N	309.257	1.531	50	20	DDGD	
Cn1cccc1C(=O)NN=C[C@@H]1CCCO[C@H]1c1ccnn1C	853284248	VFOJWLNRDAAWQO-SWLSCSKDSA-N	315.377	1.642	50	20	DDGD	
CCc1cccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)c1O	855098571	JKHKBAHCXODNGS-VIFPVBQESA-N	307.419	1.862	50	20	DDGD	
Cc1ccnc(NNC(=O)Nc2ccc3c(c2)C(=O)NC3=O)c1	756022471	KKLCMPDTVOVMHG-UHFFFAOYSA-N	311.301	1.422	50	20	DDGD	
COCCOC1CN(C(=O)NC[C@]2(C)C[C@H]2Br)C1	856953334	QSWPJVQWZBMPBM-PWSUYJOCSA-N	321.215	1.217	50	20	DDGD	
O=C(NNC(=O)c1nc[nH]c1C(F)(F)F)NC1CCCCC1	854192238	HRMVLVYBUUPRIN-UHFFFAOYSA-N	319.287	1.705	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cnc2nccnc2c1	759073108	XLFLJIBGQHLFNZ-UHFFFAOYSA-N	323.312	1.108	50	20	DDGD	
Cc1nn(CC(F)F)cc1C(=O)NNC(=O)NC1CCCC1	930965900	OZWONXFJFOFNNA-UHFFFAOYSA-N	315.324	1.343	50	20	DDGD	
CCc1nnc(NC(=O)NNCC(F)(F)C(F)(F)F)s1	860263707	ZWIJFKMHPVJXRQ-UHFFFAOYSA-N	319.259	1.924	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1ccc2nnc(O)n2c1	763105556	VRNUQFLGTGKNSO-UHFFFAOYSA-N	301.281	1.639	50	20	DDGD	
Cc1cc2cc(NC(=O)C(=O)NNC(=O)C(C)C)ccc2[nH]1	763816997	VJPNQPAZLDIBAK-UHFFFAOYSA-N	302.334	1.218	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)/C=C/SC	762407692	DXGNHMUOMVMBBY-BQYQJAHWSA-N	312.416	1.811	50	20	DDGD	
CO[C@H](CNS(=O)(=O)CC(C)(C)CCl)C(F)(F)F	866785876	IYBNIQYNXMOFOY-SSDOTTSWSA-N	311.753	1.748	50	20	DDGD	
CCC(CC)(NS(=O)(=O)CC(C)(C)CCl)C(=O)OC	866888694	JCQDPTSFLVHDJI-UHFFFAOYSA-N	313.847	1.903	50	20	DDGD	
C[C@H](CC(=O)NNCC(F)(F)C(F)(F)F)n1ccnc1	863102619	PXUURSJPOUVWPT-SSDOTTSWSA-N	300.231	1.653	50	20	DDGD	
COc1cc(C(C)=NNC(=O)c2cc(C)[nH]n2)c(OC)cc1O	764793991	WFQSQJKUZMFAHJ-UHFFFAOYSA-N	318.333	1.595	50	20	DDGD	
C[C@H](NNC(=O)[C@](C)(O)CCc1ccccc1)C(F)(F)F	862320179	POEATWHUCVGJGY-GXFFZTMASA-N	304.312	1.942	50	20	DDGD	
CN(NC(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1)C(N)=O	860516513	CPORHHYNHIXSKC-LBPRGKRZSA-N	310.785	1.346	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(NC(=O)OC(C)(C)C)nc1	861656467	MZENPQSJPATCFR-UHFFFAOYSA-N	324.337	1.772	50	20	DDGD	
CCC1(CC)C(=NNC(=O)[C@H](C)OCCOC)C[C@@H]1OC	762601711	ADJRWQNQUODYDA-AAEUAGOBSA-N	300.399	1.735	50	20	DDGD	
Cc1oc(C(=O)NNC(=O)C(C)(C)c2ccccc2)cc1CO	865630450	BEGWZUZLIZRDHL-UHFFFAOYSA-N	316.357	1.819	50	20	DDGD	
Cc1ncc(S(=O)(=O)NNC(=O)c2ccccc2C)s1	768848032	LRCDDTCLPIIYMK-UHFFFAOYSA-N	311.388	1.383	50	20	DDGD	
COCCOCC(=O)NNC(=O)/C=C\Sc1ccccc1	869901847	ZXOPFPPYXOYRFX-YFHOEESVSA-N	310.375	1.103	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)Nc1cccc2ccccc12	764339375	RXQZUTGLFPNSRR-UHFFFAOYSA-N	311.341	1.726	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNc1cncc(Br)c1	1119438980	PSAIUVXRYYUBCI-NSHDSACASA-N	313.199	1.772	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H](C)Cc2ccccc2C)n[nH]1	869018140	FNYGCMGQFLPFMF-GFCCVEGCSA-N	314.389	1.595	50	20	DDGD	
O=C(NN=Cc1ccc2c(c1)OCCCCO2)c1cn[nH]c1	863154197	QZSTXSUSNQGMCO-UHFFFAOYSA-N	300.318	1.725	50	20	DDGD	
CC(C)Oc1ncc(C(=O)NNC(=O)C(C)(C)O)cc1Cl	768245041	QPSMEHWZKBDTEL-UHFFFAOYSA-N	315.757	1.054	50	20	DDGD	
C[C@@H](C=NNC(=O)c1cccc(S(C)(=O)=O)c1)CCC#N	766012781	YKXKJPGQMIOAHS-LLVKDONJSA-N	307.375	1.746	50	20	DDGD	
COCC(=O)NCCC(=O)NNc1cc(Cl)ccc1Cl	1116348227	ANYKNYPUHWIHNR-UHFFFAOYSA-N	320.176	1.589	50	20	DDGD	
Cc1ccnc2nc(C(=O)NNc3nccnc3C(C)C)nn12	772874792	GCDUDVMVOICZHZ-UHFFFAOYSA-N	312.337	1.103	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)C(=O)Nc1ccccc1	777827740	FDWSFTQZSYSXDG-UHFFFAOYSA-N	313.313	1.555	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cccc(OCCF)c2)n1	775673968	UUOHLIORIHBCKX-UHFFFAOYSA-N	321.312	1.982	50	20	DDGD	
COC(=O)Cn1cccc1C=NNC(=O)c1ccc(C)cc1O	776181520	WWVXYEYNUKJGQZ-UHFFFAOYSA-N	315.329	1.439	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1ccc(F)nc1	777424224	UXCORRURTAXHBD-UHFFFAOYSA-N	303.293	1.758	50	20	DDGD	
CCCc1cccc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)c1	774384377	FPTNNVDAZYKGOB-NSHDSACASA-N	311.407	1.027	50	20	DDGD	
CCN(CC)c1ncc(C=NNC(=O)COCCOC)s1	872403917	YCWYESILXLBARQ-UHFFFAOYSA-N	314.411	1.102	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@H]2CCC(=O)N2)cc1C(C)(C)C	872391828	BGQQLPFHUWHPMY-CYBMUJFWSA-N	317.389	1.721	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@]2(C)C[C@H]2Br)cc[nH]1	875758398	LWASVURVNKYDBB-PWSUYJOCSA-N	313.199	1.612	50	20	DDGD	
COC(=O)N(C)NC(=O)c1nc(C2CC2)n(-c2ccccc2)n1	1117451962	RTUOILHVDTUBQL-UHFFFAOYSA-N	315.333	1.488	50	20	DDGD	
Cc1noc(C)c1NC(=O)C(=O)NNc1ccccc1[N+](=O)[O-]	773654182	RIDQTPQOTGDBAB-UHFFFAOYSA-N	319.277	1.281	50	20	DDGD	
CC(C)(O)CN1CCC(NC[C@@]2(C)C[C@@H]2Br)CC1	877646656	KKHUULUWGXDWKS-GXTWGEPZSA-N	319.287	1.985	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@@H]2CCCCN2C)c1	874946563	NMPPIMPWMHMWEI-ZDUSSCGKSA-N	324.425	1.936	50	20	DDGD	
CO[C@H]1CCC[C@H]1CNC(=O)NNC(=O)c1cccc(C#N)c1	774698803	FLUQIQLMMIUKCS-KBPBESRZSA-N	316.361	1.317	50	20	DDGD	
CC(=NNC(=O)COc1cccc(C)c1)c1cnn(C)c1C	778538004	DTOZUWOPZNMBSC-UHFFFAOYSA-N	300.362	1.956	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)c1ccc2nnc(O)n2c1	778451138	LHXJFTPAWQTXQS-UHFFFAOYSA-N	304.697	1.240	50	20	DDGD	
Cn1nnc2c1C[C@H](C(=O)NNc1cc(F)ccc1F)CC2	885141932	QKZRWTATGDUMJB-MRVPVSSYSA-N	307.304	1.342	50	20	DDGD	
COC[C@@H](C)n1ccc(NC(=O)NNc2cccc(OC)n2)n1	779933787	BXTRFLNXPXSIHR-SNVBAGLBSA-N	320.353	1.643	50	20	DDGD	
O=C(CO)NN=Cc1ccc(N2CCC(c3ccccc3)=N2)cc1	776782615	FAMAUGGFYWKAAE-UHFFFAOYSA-N	322.368	1.743	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@]1(C)COc2ccccc2O1	887152103	WPZGJQARTCZCGO-MRXNPFEDSA-N	302.330	1.167	50	20	DDGD	
C[C@]1(c2ccccc2)C[C@H]1NC(=O)NNC(=O)C1CCOCC1	883458306	DNJHJKJTCOLJGR-RHSMWYFYSA-N	317.389	1.474	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc(CCC(=O)OC)c1	881095519	QSFYRLCVFONOGI-NSHDSACASA-N	321.377	1.991	50	20	DDGD	
NC(=O)[C@H]1CCC[C@@H](C(=O)NNc2c(F)cc(F)cc2F)C1	885151534	HIWZYHVKQCOZFH-JGVFFNPUSA-N	315.295	1.839	50	20	DDGD	
CN[C@@H](CC(C)C)C(=O)NNc1nc(-c2ccccc2)no1	884120975	APGCEPNNTCLSTE-LBPRGKRZSA-N	303.366	1.814	50	20	DDGD	
Cn1ccnc1[C@H](NS(=O)(=O)CCCCl)C(C)(C)CO	882230201	XYWQBBVPQWMANN-JTQLQIEISA-N	323.846	1.028	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H](F)C(C)C)c1	784294619	MIOUAYBSKOVSIQ-ZDUSSCGKSA-N	310.325	1.293	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CN2C[C@@H]3C[C@H]3C2)cc1C	886344389	DFAHHFBVPGLLHV-QWRGUYRKSA-N	307.419	1.332	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1ccc2cncn2c1	786056541	PQGFCYGJDPMSFA-UHFFFAOYSA-N	321.300	1.536	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)Nc1cccc(Cn2cncn2)c1	782021909	RPIZNWDKGCOUPJ-UHFFFAOYSA-N	309.333	1.292	50	20	DDGD	
O=C(CCc1ccc(O)nc1)NNc1ncnc2ccsc12	787439383	JHCHGDGJULBXCV-UHFFFAOYSA-N	315.358	1.868	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C	789444980	BCGQEBWAJBJQOR-UHFFFAOYSA-N	310.310	1.401	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccc(-n3ccnc3)nn2)c(O)c1	788175576	VYCAXGMWHJLVJW-UHFFFAOYSA-N	310.317	1.433	50	20	DDGD	
O=C(NC[C@@H]1CCC=CO1)NNC(=O)c1c[nH]c2ccccc12	780743895	GZXJAJIMVHRJKY-NSHDSACASA-N	314.345	1.805	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NC[C@H]1CCC=CO1	780738030	YRRJKBJWUKABCF-GFCCVEGCSA-N	307.325	1.391	50	20	DDGD	
Cc1ccc(N2CCNC2=O)cc1NC(=O)NNC(=O)C(C)C	786265619	WOPJQMNOJIBNCR-UHFFFAOYSA-N	319.365	1.333	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)c2c[nH]nc2C)CCC1	788511428	SRQMNQJOOCNFIY-UHFFFAOYSA-N	312.373	1.909	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2occc2Br)CC1	790178628	FYDIOUJNTXLNSS-UHFFFAOYSA-N	315.171	1.333	50	20	DDGD	
COC(=O)c1ccc(C(C)=NNC(=O)N2CCN(C)CC2)cc1	790176095	MOEONYMWBHYQKD-UHFFFAOYSA-N	318.377	1.154	50	20	DDGD	
CC(=NNC(=O)Cc1ccc(F)cc1)C(C)(C)n1cncn1	794484006	BGCSQALDVUBDLA-UHFFFAOYSA-N	303.341	1.887	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1CCC(F)(F)C1	795016328	BONGQIZCULBGQE-LLVKDONJSA-N	312.316	1.821	50	20	DDGD	
CO[C@H]1CCC[C@@H](CC(=O)NNC(=S)NC(C)(C)C)C1	798124571	ZRKWPUFNOWEICE-MNOVXSKESA-N	301.456	1.876	50	20	DDGD	
CN1CCc2cc(C(=O)NNc3nc4ccccn4n3)ccc21	791263084	AUZRYGUPUAVVDR-UHFFFAOYSA-N	308.345	1.479	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccoc1)c1ccc(Cl)cc1F	795334900	VKDBCTWMTUFNTK-UHFFFAOYSA-N	318.713	1.695	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2c[nH]c(C#N)c2)c2ccccc2n1	799009965	OPJCYQQJVQEPHD-UHFFFAOYSA-N	319.324	1.818	50	20	DDGD	
Cn1cc(N2CC[C@H](NC(=O)NNc3ccc(F)cc3)C2)cn1	1318648276	DEAKJMAOPYLFGS-ZDUSSCGKSA-N	318.356	1.464	50	20	DDGD	
COc1nc(Cl)c(C=NNC(=O)OCC(F)(F)F)n1C	1328014012	RRXOUBOILLSJPL-UHFFFAOYSA-N	314.651	1.705	50	20	DDGD	
CSc1ccc(O)c(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	1328342768	OWEMEZAOCHNMES-WCBMZHEXSA-N	310.375	1.300	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)no1	1327930583	GHZKENAVPZRJTG-UHFFFAOYSA-N	317.349	1.304	50	20	DDGD	
CCOC(=O)[C@@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C1CC1	1321079827	NIYAWGOJVCBKLR-CTXBLAANSA-N	314.341	1.757	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1nc(C2CC2)n(-c2ccccc2)n1	1325090630	CREPTRJEZOHSNG-UHFFFAOYSA-N	320.356	1.719	50	20	DDGD	
Cc1cccc(NC(=O)NNC(=O)c2n[nH]c3c2CCCC3)n1	1320255404	SCHNBCUVSXTIAR-UHFFFAOYSA-N	314.349	1.458	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N2CC[C@@H]3C[C@@H]3C2)C[C@H]1Br	1331373480	GSRUWSMLOHLAJH-VWMGYNLJSA-N	315.211	1.145	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@]2(F)CCOC2)c1	1335854758	WJNFPHGLSNMPCI-CQSZACIVSA-N	311.382	1.750	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1NC(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1331086073	QMMBPODKQYSUJZ-WTBMIXGQSA-N	317.227	1.437	50	20	DDGD	
C[C@@H]1[C@@H](C(=O)NNC(=S)NCCc2cccs2)C1(F)F	1263703124	JZGXAPOXJAQSFP-APPZFPTMSA-N	319.402	1.687	50	20	DDGD	
C[C@@H]1C[C@H]2CC[C@@H](C(=O)NNC(=O)c3ccccc3)CN2C1	1350795392	YILLNBPFLBFBLF-BPLDGKMQSA-N	301.390	1.568	50	20	DDGD	
C[C@]1(COC(=O)C[C@@H]2CCC(=O)NC2)C[C@H]1Br	1519553494	MESRZCBTCMEJPS-YGOYTEALSA-N	304.184	1.619	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](CC(F)F)C(=O)O	1600787902	ABYZTSMRVXFTLK-QMMMGPOBSA-N	323.727	1.577	50	20	DDGD	
CN(NC(=O)C1(C(=O)O)CCSCC1)C(=O)OC(C)(C)C	1604195969	XWZNGESFYSLHEJ-UHFFFAOYSA-N	318.395	1.483	50	20	DDGD	
NC[C@@H]1CCCC[C@H]1NC(=O)NNc1ccc(F)c(C(=O)O)c1	1608254499	AEHASZZUVCZIOM-TVQRCGJNSA-N	324.356	1.668	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCC(C)(C)CC(=O)O	1600565658	FYOVWTHJSDRKAM-UHFFFAOYSA-N	307.350	1.440	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)c1ccn(C(F)F)n1	1608483748	YVWMMDSKGPJWKC-UHFFFAOYSA-N	314.223	1.872	50	20	DDGD	
CC(=NNC(=O)[C@H]1CC[C@@H](C)O1)c1ccc(-c2nn[nH]n2)cc1	1602906723	USIXWIMPZAIXBJ-NOZJJQNGSA-N	314.349	1.274	50	20	DDGD	
NC(=O)c1csc(C(=O)NNc2ccc(F)c(C(=O)O)c2)c1	1608246193	XLFDHSBCVXWVOE-UHFFFAOYSA-N	323.305	1.441	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NC[C@H](CC(=O)O)C1CC1	1603470545	RTSJLILVSYTRKU-VIFPVBQESA-N	301.343	1.226	50	20	DDGD	
CC(C)(C(=O)NNc1ncccc1C(=O)O)c1cccc(O)c1	1602831284	YTQIPSCUHNKXHX-UHFFFAOYSA-N	315.329	1.906	50	20	DDGD	
C/C(=C\C(=O)NNc1ccccc1C(=O)O)CN1CCOCC1	1602954156	CBMQSUYCXZTVKB-ZRDIBKRKSA-N	319.361	1.106	50	20	DDGD	
Cn1cc(/C=C\C(=O)NNc2cccc(C(=O)O)c2F)cn1	1600944416	BZZLGDCCKPDXDO-WAYWQWQTSA-N	304.281	1.414	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@@H]1C(=O)NN=C1CCOC1(C)C	1549314518	HVQOXEGIUKFXTK-AAEUAGOBSA-N	320.393	1.559	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1coc(C(C)C)n1	1549321864	VPICQTWOBKOACA-GXTWGEPZSA-N	320.393	1.501	50	20	DDGD	
O=C(NC[C@@H]1CCSC1)NNc1ccc(C(=O)O)c(F)c1	1610689705	DSJSBOGMKNDDMF-QMMMGPOBSA-N	313.354	1.903	50	20	DDGD	
C[C@@H]1CCCN(C(=O)NC[C@]2(C)C[C@@H]2Br)[C@H]1CN	1576700588	UNIMHURYBCMRLY-BLFANLJRSA-N	318.259	1.929	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2C[C@H]3CC[C@H]2NC3)c1C	1578878244	SKCOULDJBVBPME-UXIGCNINSA-N	317.389	1.613	50	20	DDGD	
O=C(/C=C\[C@H]1CCCNC1)NNC(=O)c1cccc2ncccc12	1580495243	YKXUZZGUWPZVCA-LJTDUEICSA-N	324.384	1.552	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)C(F)F)C2	1841667817	VMKQHVWOVZEKHN-VIFPVBQESA-N	308.756	1.862	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCOC1)C2	1845168073	JVFRUTZPZLYBMI-NEPJUHHUSA-N	314.813	1.244	50	20	DDGD	
COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)CC1CC1)C2	1846361467	VYQXGKQXTAHASH-LBPRGKRZSA-N	314.813	1.244	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cc[nH]n2)C1	1841698629	VKMIJQGYAHLDBB-LLVKDONJSA-N	324.812	1.634	50	20	DDGD	
N#CC1=CCN(C(=O)c2cnc(CC3CCNCC3)s2)CC1	1580040647	MLTZFFONDWNGSR-UHFFFAOYSA-N	316.430	1.981	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)CCOC)C1	1842773308	ZDPKOWRKOPBRMS-NSHDSACASA-N	302.802	1.244	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H](C(=O)O)C2CC2)ccc1C	1593882761	WJIWEPWPCWTRLP-GFCCVEGCSA-N	306.318	1.336	50	20	DDGD	
C[C@@H]1[C@@H](NC(=O)NNc2ccc(CC(=O)O)cc2)CCN1C	1594190541	IXPSEUAFQXZBKZ-MFKMUULPSA-N	306.366	1.032	50	20	DDGD	
CCC[C@H]1C[C@@H](C(=O)NNc2ccc(C(=O)O)cn2)CCO1	1595620161	YDJMOYIKNNRCQY-JQWIXIFHSA-N	307.350	1.818	50	20	DDGD	
COc1cncc(C(=O)NNc2ccc(C(=O)O)cn2)c1C	1599726384	KGOLANNNNDBNFU-UHFFFAOYSA-N	302.290	1.249	50	20	DDGD	
CCc1ccc(NNC(=O)Nc2ccnc(-c3nn[nH]n3)c2)cc1	1590891648	WCBGBWRXQZHBRR-UHFFFAOYSA-N	324.348	1.973	50	20	DDGD	
Cc1[nH]c(C(=O)O)c(C)c1C(=O)NNC(=S)NCC1CCC1	1599957299	NKCOVHHEEVSRRD-UHFFFAOYSA-N	324.406	1.239	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CC[C@H]2C(=O)O)cc1F	1593883260	VZDLDKJFHMXNJE-RKDXNWHRSA-N	310.281	1.166	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNc2ccc(F)cc2C)c(=O)[nH]1	161016749	SSLDMSPMKAJOJY-UHFFFAOYSA-N	304.325	1.520	50	20	DDGD	
CCCn1nc(C)c(C(=O)NNC(=O)c2ccncc2)c1C	161111811	IEVGPZITKZVQNV-UHFFFAOYSA-N	301.350	1.380	50	20	DDGD	
CSC1CCN(CC(=O)NNC(=O)c2cccs2)CC1	879099098	LWPHPSILTFQVGS-UHFFFAOYSA-N	313.448	1.337	50	20	DDGD	
CN(Cc1cc(Cl)cn1C)S(=O)(=O)CBr	272867922	YYLXBUMYQIZRPI-UHFFFAOYSA-N	315.620	1.793	50	20	DDGD	
C[C@@H]1OCC[C@]1(O)CNS(=O)(=O)c1ccc(CCl)cc1	312843576	LCRWQXXVQIAHOV-GWCFXTLKSA-N	319.810	1.244	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1[N+](=O)[O-]	6991501	QJOGOZMVPBLERS-UHFFFAOYSA-N	303.278	1.039	50	20	DDGD	
COc1ccc2c(c1)C[C@@H](C(=O)NNC(=O)CC(C)(C)C)CO2	103198744	UCWMSFLSPAPAET-GFCCVEGCSA-N	320.389	1.830	50	20	DDGD	
CN(CCOc1ccc(F)cc1)C(=O)NNC(=O)C(C)(C)C	109150629	MWWXWEIIMGORRY-UHFFFAOYSA-N	311.357	1.923	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNC(=O)c1ccc(C)cc1O	104856025	VXPHXEMKKQWVAF-ZDUSSCGKSA-N	305.378	1.336	50	20	DDGD	
C[C@@H](OCC1CC1)C(=O)NNC(=O)CCc1ccccc1O	106285789	HOMWCIZYPIQOOD-LLVKDONJSA-N	306.362	1.287	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CC1(O)CCCC1	118760161	GWZLGJPJDXARFM-NSHDSACASA-N	324.352	1.436	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C2(C#N)CCCCC2)c1	57419807	XYWLNGJDEXWXSF-UHFFFAOYSA-N	315.373	1.995	50	20	DDGD	
CSC[C@@H]1CCCN1C(=O)NNC(=O)c1ccc(C#N)cc1	119152412	XDLMPDCHRNFNPN-ZDUSSCGKSA-N	318.402	1.740	50	20	DDGD	
CNC(=O)NNC(=O)Cc1ccc(Cl)cc1Br	113155251	ZFSNFEIZDTVREV-UHFFFAOYSA-N	320.574	1.605	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)NCc1ccco1	112881966	OTEOUEPOEDCOIS-UHFFFAOYSA-N	318.333	1.231	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1cccc(Br)c1C	176674109	FCTCXKSLULWQBF-UHFFFAOYSA-N	323.168	1.307	50	20	DDGD	
CC[C@H]1c2ccccc2CCN1CC(=O)NNC(=O)C1CC1	114493264	KTUJVIWJLNDSMW-HNNXBMFYSA-N	301.390	1.553	50	20	DDGD	
Cc1nn(C)c(C)c1OCC(=O)NNC(=O)NC1CCCCC1	176886075	MVNIISGQFLSRNK-UHFFFAOYSA-N	323.397	1.079	50	20	DDGD	
C[C@@H](CO)SCC(=O)NNC(=O)c1ccccc1Cl	79089896	MBCTWOZURPJSQB-QMMMGPOBSA-N	302.783	1.215	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)CO)c1ccc(C(F)(F)F)cc1	180948674	MLVJQZLBWHIFNE-QMMMGPOBSA-N	304.268	1.339	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)NCC2CCC2)cc1C	79534932	FUYCPRZPNJOCNV-UHFFFAOYSA-N	318.377	1.372	50	20	DDGD	
O=C(NNc1ccncc1)c1ccc2c(=O)[nH]c(S)nc2c1	180439854	TZWVEDRGJVDNQW-UHFFFAOYSA-N	313.342	1.364	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1	188453142	KPBDSPAGQQACSK-ZHACJKMWSA-N	317.301	1.628	50	20	DDGD	
CC(C)(C)c1nnc(NC(=O)NNC(=O)c2cccnc2)s1	184515863	NAAYJCZERFZCGB-UHFFFAOYSA-N	320.378	1.697	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)N[C@@H]1CCCOCC1	183555643	WASRSWBBAXIJQM-OAHLLOKOSA-N	319.405	1.909	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@H]2C[C@]2(C)C(C)C)cc1	188292042	IYGHEMUYONAKAR-RHSMWYFYSA-N	319.405	1.937	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc2cc[nH]c2c1	77163625	GEWDRDRUWYCNPT-UHFFFAOYSA-N	316.361	1.234	50	20	DDGD	
COc1cccc(NNC(=O)CN2CCCCCCC2=O)n1	180688320	AQUGAPYALIYCGS-UHFFFAOYSA-N	306.366	1.326	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNC(=O)C(C)(C)C)c1ccccc1	125861407	UXOUMVOWGIGHEJ-ZDUSSCGKSA-N	306.410	1.666	50	20	DDGD	
N#CC(C#N)=CNc1ccc(F)c(S(=O)(=O)NC2CC2)c1	76935430	NCGYTMQTBOSBSK-UHFFFAOYSA-N	306.322	1.609	50	20	DDGD	
CCc1ccnc(C(=O)NNC(=S)Nc2ccccn2)c1	181947067	RFJGVJVHVWSSKM-UHFFFAOYSA-N	301.375	1.670	50	20	DDGD	
C[C@H]1CCC[C@H](C)N(CC(=O)NNC(=O)c2ccccc2)C1	182348273	YMPKOEYRCPPSQU-KBPBESRZSA-N	303.406	1.958	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(Cl)nc2C)n1	133531827	VXLHAEICBVDOSD-UHFFFAOYSA-N	321.768	1.318	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H]1CCC[C@H]1CCO	194882963	MJTOQRXAFAJNBZ-KWRPFLGHSA-N	300.358	1.966	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1	194924751	MEUVUDLCANJNMF-UHFFFAOYSA-N	307.741	1.646	50	20	DDGD	
CN(C)c1ccc(CNC(=O)NNC(=O)OC(C)(C)C)cn1	46286790	IBAFRQZJZSHQSD-UHFFFAOYSA-N	309.370	1.387	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cc(F)cc(C(F)(F)F)c1	192918802	ZMARMUUUSRTCHE-UHFFFAOYSA-N	308.231	1.376	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc([N+](=O)[O-])c(C)c1	132003940	DYERJEADNYHKQR-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn(C(C)(C)C)c2)c(O)c1	80388674	ICRNCYNZHNOQFZ-UHFFFAOYSA-N	316.361	1.727	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C(C)(C)O)c1Br	192918680	UWTACIRMGPHTFI-UHFFFAOYSA-N	315.167	1.289	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2CCCc3cccnc32)n1	192671855	MBHRCZKZBKDEEO-GFCCVEGCSA-N	313.361	1.752	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2sc(C)nc2C)o1	84161324	LJGGGWSVCXFTPY-UHFFFAOYSA-N	308.363	1.806	50	20	DDGD	
COC(=O)CC(C)(C)NC(=O)/C(C#N)=C\c1ccc(O)cc1	194683547	XSFBLNIJBDKIHP-WQLSENKSSA-N	302.330	1.757	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCCc3cn[nH]c32)o1	268946754	HFEPBAKUPVKBIG-SNVBAGLBSA-N	303.322	1.333	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)CC(C)(C)C)cc1OC	264035486	BZQFWRIDOYTSPP-UHFFFAOYSA-N	323.393	1.970	50	20	DDGD	
COCc1nc(C(=O)NNc2nc(C)cc(OC)n2)cs1	266892448	FTEKDJNHOFBKHB-UHFFFAOYSA-N	309.351	1.153	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1cn[nH]c1C(=O)OCC	268110389	CHMGFKOCUNDIMQ-DHZHZOJOSA-N	320.349	1.036	50	20	DDGD	
COCCN(C)CCCNC(=O)NNc1ccc(Cl)nc1	266630738	ATKCVVUWTSFXGY-UHFFFAOYSA-N	315.805	1.329	50	20	DDGD	
CCC1(CNC(=O)NNc2nccc(OC)n2)CCOCC1	266686263	AYTSCWHKJKXAAQ-UHFFFAOYSA-N	309.370	1.318	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)[C@H]1CCCN1C	270680746	UPQXYBZEJMQPOI-LLVKDONJSA-N	323.418	1.029	50	20	DDGD	
Cc1c(C(=O)NNc2cnccn2)nnn1CC1CCCC1	279665191	FWNGAHATRQJPKE-UHFFFAOYSA-N	301.354	1.324	50	20	DDGD	
CCCCN1C(=O)CC[C@H](C(=O)NN)[C@@H]1c1ccc(OC)cc1	270229662	NZLPEEKSWNNTDA-HOCLYGCPSA-N	319.405	1.765	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)Cc2ccccc2F)CCO1	271196110	ATALXJCZLGPKHZ-ZYHUDNBSSA-N	309.341	1.266	50	20	DDGD	
O=C(Cn1cccn1)NNC(=O)C12CC3CC(CC(C3)C1)C2	274238103	VLGIVAPXDQTBPI-UHFFFAOYSA-N	302.378	1.247	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc(F)c(C)c2)C1	371594993	ANANKOLTJCLASI-JTQLQIEISA-N	323.324	1.264	50	20	DDGD	
CCSCC[C@@H](C)NC(=O)NNC(=O)c1cccc(C)n1	280768443	DYPSQYWYLACIPF-LLVKDONJSA-N	310.423	1.866	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]23)n1	280816917	INYWMRBLBVZUMH-OUCADQQQSA-N	318.377	1.292	50	20	DDGD	
CC(C)(C(=O)NNC(=O)C1CCC1)c1cc(F)cc(C#N)c1	286095803	SZHVEGAPBZWIJV-UHFFFAOYSA-N	303.337	1.922	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2	374006466	SZKVDDLGZFWUHS-LURQLKTLSA-N	323.340	1.024	50	20	DDGD	
CCOC[C@@H](NCC(=O)NNC(=O)c1ccccc1)C(C)C	286361540	YGMRMVTUKRCTCD-CQSZACIVSA-N	307.394	1.098	50	20	DDGD	
CC(=O)NNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O	282343905	OTMVWRATTCWUKV-JTQLQIEISA-N	313.766	1.310	50	20	DDGD	
COCCOCCNC(=O)NNc1ccc2c(O)nccc2c1	286979734	BYSAHZCNKPYUCH-UHFFFAOYSA-N	320.349	1.230	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)COc1ccc(F)cc1)C(F)(F)F	288790145	KATJWHFALMOZNX-SSDOTTSWSA-N	323.246	1.486	50	20	DDGD	
CC1CCN(CCCCNC(=O)NNc2ccncn2)CC1	296181512	CEWYJPBVYCOIBC-UHFFFAOYSA-N	306.414	1.615	50	20	DDGD	
O=C(CCn1ccccc1=O)NNc1nccnc1C1CCC1	805465302	ZXWDSJVLIXFYAM-UHFFFAOYSA-N	313.361	1.439	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)NC(C)(C)C	298677244	LZSQJULAHQVMDR-UHFFFAOYSA-N	309.366	1.593	50	20	DDGD	
CN1CC[C@]2(CCN(C(=O)NNC(=O)c3ccccc3)C2)C1	292412678	JSNXVTZSHBGWHR-INIZCTEOSA-N	302.378	1.069	50	20	DDGD	
Cn1c(=O)oc2cc(NC(=O)NNc3ncccc3F)ccc21	806256297	MKIJQZUXOHMJDC-UHFFFAOYSA-N	317.280	1.814	50	20	DDGD	
CC[C@@H](C)[C@H](CNC(=O)NNC(=O)c1ccccc1OC)OC	296652050	NMUQDJHHQDKLSW-RISCZKNCSA-N	323.393	1.700	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])S(C)(=O)=O	298762507	DFBADMFSPZKREW-LURJTMIESA-N	321.742	1.124	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc3cncn3c2)n1	806932753	LSXGSRUGYZXWSQ-UHFFFAOYSA-N	302.725	1.843	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2ccc(-n3ccnc3)nn2)CCC1=O	804953241	IKOJBSDFSQUWQP-GHMZBOCLSA-N	314.349	1.111	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1ccc(CSC)cc1	807538151	NXZNUVRCRWNKHS-UHFFFAOYSA-N	311.407	1.417	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@@H]2COc3ccccc32)O1	297253355	OOKXMDLRYKPXHV-NDMJEZRESA-N	305.334	1.018	50	20	DDGD	
CCC(=O)Nc1cccc(C(=O)NNC(=O)[C@H]2CCCCO2)c1	295628731	SHXHXSOLWYKAPJ-CYBMUJFWSA-N	319.361	1.365	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cnc(-c2ccco2)s1	295606135	QHPLQIXZNVBFSC-VIFPVBQESA-N	321.358	1.733	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)CC[C@H]2CCCO2)cc1	298339004	RNHLTEQUHHNRLI-CQSZACIVSA-N	321.377	1.214	50	20	DDGD	
COc1cc(C(=O)NNC(=O)NC2CCCC2)ccc1[N+](=O)[O-]	299620471	DVBHVLLUAVVYEP-UHFFFAOYSA-N	322.321	1.490	50	20	DDGD	
Cc1nc2ccnn2c(C)c1C(=O)NNc1ncccc1F	804218237	RRXQPZJYJHZFLY-UHFFFAOYSA-N	300.297	1.637	50	20	DDGD	
CO[C@](C)(CNC(=O)NNC(=O)CCc1ccccc1)C1CC1	812923799	FLNPJVCPPACVRV-QGZVFWFLSA-N	319.405	1.765	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C[C@](C)(OC)C1CC1	814719281	IAPSEISZZIEOKH-INIZCTEOSA-N	306.362	1.991	50	20	DDGD	
CN(NC(=O)CC[S@@](=O)c1ccc2c(c1)OCCO2)C1CC1	819647672	QMKGSXSKGLDFFY-JOCHJYFZSA-N	324.402	1.081	50	20	DDGD	
CCCN(CC)C[C@H](C)NC(=O)NNC(=O)Cc1ccncc1	811977175	LAOYVHDOPAUWGM-ZDUSSCGKSA-N	321.425	1.075	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cc(Cl)c2c(c1)OCCO2	819117654	BBNXVMGFCMVKKM-UHFFFAOYSA-N	310.737	1.672	50	20	DDGD	
COc1cc(C(=O)NN=Cc2cnn(C)n2)ccc1OC(C)C	814756445	UWUAMIOFHOLUFV-UHFFFAOYSA-N	317.349	1.375	50	20	DDGD	
NC(=O)N[C@H]1CCN(Cc2ccc(OCCCCl)cc2)C1	811468299	KSTNJZQMBNAXTC-ZDUSSCGKSA-N	311.813	1.937	50	20	DDGD	
CN(C)c1cc(C#N)cc(C(=O)NNC(=O)C2CCCC2)c1	814405614	PAVOVYJAXAPWCD-UHFFFAOYSA-N	300.362	1.575	50	20	DDGD	
CCS(=O)(=O)c1ccc(C(=O)NNc2ncncc2F)cc1	817080687	BCNVFEQXHSIZSY-UHFFFAOYSA-N	324.337	1.166	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2ccccc2C(=O)OC)n1	815953175	IYXXXKPLPJFHFD-UHFFFAOYSA-N	303.322	1.150	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2c(F)cccc2F)nc1	815574234	JHQJKFJCJCNFNG-UHFFFAOYSA-N	317.255	1.313	50	20	DDGD	
CN(C)c1cc(C#N)cc(C(=O)NNc2nc3ccccn3n2)c1	816467970	VPMOCFDUBDPCGM-UHFFFAOYSA-N	321.344	1.424	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1c(Cl)nc(Cl)n1C	728437415	BWCHKUPDPCSSCK-ALCCZGGFSA-N	303.149	1.396	50	20	DDGD	
COc1cnc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])nc1	816528356	YOPUQBSQVSHZPK-UHFFFAOYSA-N	307.241	1.289	50	20	DDGD	
O=C(NNc1ncncc1F)c1cc(O)nc2cc(F)ccc12	817082015	NFILXUOXPJBMTD-UHFFFAOYSA-N	317.255	1.766	50	20	DDGD	
CCc1nn(C)cc1NC(=O)C(=O)NNc1cccc(Cl)n1	815728170	UUCBUZXVRAJZSO-UHFFFAOYSA-N	322.756	1.113	50	20	DDGD	
CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1ccc(C)c(C)c1	728437988	ZEVIAISQAZSTRP-LBPRGKRZSA-N	311.407	1.081	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCNc1ncccc1C#N	728745798	BSARBUSTOBIVLY-UHFFFAOYSA-N	318.381	1.132	50	20	DDGD	
CC(CSC(C)(C)C)=NNC(=O)[C@H]1CCS(=O)(=O)C1	729635399	RLFXEYCPLNKDFU-JTQLQIEISA-N	306.453	1.445	50	20	DDGD	
COC(=O)c1cc(NNC(=O)N[C@H]2CO[C@@H](C)C2)ccc1F	828441134	YLNXKEREOAUFFM-WCBMZHEXSA-N	311.313	1.416	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F	823475619	QMPMBZBNWCLDLE-HMHPOGMRSA-N	324.327	1.641	50	20	DDGD	
CCOc1ccccc1[C@H](CC(=O)NNC(=O)OC)NC(C)=O	495366988	LQUQDFKWBQBQJB-LBPRGKRZSA-N	323.349	1.040	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C/c2cccc(OCC#N)c2)n1	490784485	ZPTYGOSHTYEXBN-UKTHLTGXSA-N	307.313	1.868	50	20	DDGD	
CCC(CC)[C@H](CNS(=O)(=O)CCl)N1CCOCC1	820784756	XIKCSPXAOCWELX-LBPRGKRZSA-N	312.863	1.239	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc2nnc(C(C)C)n2c1	495660056	WFUQCGNBTMFOSC-UHFFFAOYSA-N	306.326	1.635	50	20	DDGD	
O=C(NC[C@@H]1CCCS1)NNc1cccc(-c2nn[nH]n2)c1	823175320	FQCFBDKTMFMLFX-NSHDSACASA-N	319.394	1.388	50	20	DDGD	
C[C@]1(CC(=O)NNC(=O)c2cccnc2)CC1(Cl)Cl	822157451	YLGBDSVPUYNOKW-NSHDSACASA-N	302.161	1.817	50	20	DDGD	
COCCC1(CNC(=O)NNC(=O)OC(C)(C)C)CCC1	493539676	YJAWSJMMPYUXKF-UHFFFAOYSA-N	301.387	1.932	50	20	DDGD	
CC(C)(C)OC(=O)NC1CC(=NNC(=O)c2ncccn2)C1	496386742	MHRQIQFEGCLVJM-UHFFFAOYSA-N	305.338	1.250	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNc1ccccc1S(C)(=O)=O	825806112	ZBQGNUCTULULMY-LLVKDONJSA-N	300.380	1.348	50	20	DDGD	
C[C@H](CNCc1ccc(B(O)O)o1)Oc1ccccc1Cl	585025072	LEHUNJURHOKVNK-SNVBAGLBSA-N	309.558	1.170	50	20	DDGD	
CCn1ccc(NC(=O)NNC(=O)CCc2ccccc2O)n1	824943207	JOJJTNQHUOTWBF-UHFFFAOYSA-N	317.349	1.394	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)/C=C/[C@@H]2CCOC2)cc1F	493021743	MRRVADQEBDJDBY-JYBNPQIESA-N	308.309	1.648	50	20	DDGD	
Cc1ccccc1C1=NO[C@H](C(=O)NNC(=O)NCC2CC2)C1	906418071	RXJMSCLUPXLHAM-AWEZNQCLSA-N	316.361	1.228	50	20	DDGD	
CCc1ccccc1-n1cc(O)c(C(=O)NN(C)C(=O)OC)n1	496930940	OSUVIGQCYSLQMP-UHFFFAOYSA-N	318.333	1.483	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)OC[C@H]2CNC(=O)O2)cc1	495715369	HIFRRNAWBWHGLZ-ASJRZHAZSA-N	302.286	1.254	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@H]1c1cccs1	584925304	SSNMDUFXYQYACI-ZDUSSCGKSA-N	319.166	1.544	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1	491055760	AFELNBSJGVVQOU-NSHDSACASA-N	311.382	1.191	50	20	DDGD	
CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NNc2cnccn2)C1	492796467	WGNRNCAPQQCRRW-SNVBAGLBSA-N	319.365	1.177	50	20	DDGD	
OB(O)c1ccc(CNCCSCc2ccccc2F)o1	585016425	NEDCPACMCFWTIP-UHFFFAOYSA-N	309.171	1.122	50	20	DDGD	
CO[C@@H](C)CNC(=O)NNC(=O)COc1cc(C)cc(C)c1	821469419	KOKFIXXKMWBRND-LBPRGKRZSA-N	309.366	1.048	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(-c2ccccc2)nc1O	823971552	WFTPTNOCPSNWPB-NSHDSACASA-N	301.346	1.412	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@]1(C)CC(C)=NO1)c1ccccc1	903269447	YJDMRVATFSESIJ-CZUORRHYSA-N	303.362	1.883	50	20	DDGD	
O=C(/C=C\c1ccc2c(c1)OCO2)NNC(=O)[C@@H]1CCCCO1	492998653	ZJCWAHUAXTYCPD-VGVVRCBHSA-N	318.329	1.145	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cccc2c1OC(F)(F)O2	491137820	YBYVIZNBAOXREU-YFHOEESVSA-N	310.256	1.678	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@H](C)[C@H]1CCCN(C(=O)OCC)C1	495487783	QOJLPQHKQIKZOF-BEFZUUHMSA-N	323.393	1.804	50	20	DDGD	
C=C(CI)n1cc(C(=O)OCC)nn1	900641215	OTBAMJASYWJLKG-UHFFFAOYSA-N	307.091	1.361	50	20	DDGD	
CC(C)C(=O)NNC(=O)CNC(C)(C)c1ccccc1[N+](=O)[O-]	830009018	NJWPQTJPSCPGHD-UHFFFAOYSA-N	322.365	1.223	50	20	DDGD	
CC(=NNC(=O)C(N)=O)c1cnn(-c2cccc(Cl)c2)c1C	731559839	LYUSMGVXYFJCHQ-UHFFFAOYSA-N	319.752	1.160	50	20	DDGD	
Cc1cccc([C@H]2C[C@H](NCc3ccc(B(O)O)cc3F)C2)c1	585038491	ARXGKDIVBOTSSP-JCNLHEQBSA-N	313.181	1.850	50	20	DDGD	
CSc1nc(C(C)C)nc(C)c1C(=O)NNC(=O)C1CC1	906496576	UBPRDSPRWFQOME-UHFFFAOYSA-N	308.407	1.801	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1cn(Cc2ccccc2)nn1	901257765	CIMFTJUNFQEYQK-IUODEOHRSA-N	313.361	1.202	50	20	DDGD	
COc1cc(CCNC(=O)NNC(=O)C(C)C)ccc1Cl	836492067	DLDARHYDXMTSCA-UHFFFAOYSA-N	313.785	1.878	50	20	DDGD	
C[C@@H](C[C@@H](C)N)NC(=O)NNC(=O)c1cc2c(s1)CCC2	831197956	WUCMVQRGYYMJOQ-BDAKNGLRSA-N	310.423	1.307	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1OCCNCc1ccc(B(O)O)cc1F	585015482	CVWYOXWRWKESDX-WBMJQRKESA-N	309.190	1.190	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)OCC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cn1	837971948	RZTOPQLSUKWORU-DPKFIGDKSA-N	313.357	1.876	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)c1ncon1)c1cccc(Cl)c1	832825629	BQGNXIRDHBVNBM-LLVKDONJSA-N	322.752	1.924	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H](C(=O)NNC(=O)[C@@H]2CCCCO2)C1(C)C	833241661	DKWDVUGWUYPOGD-MDZLAQPJSA-N	310.394	1.344	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)[C@H]1CCCCO1)C1CCOCC1	838503180	RNCCHFVPKYPCSN-CHWSQXEVSA-N	313.398	1.091	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1cccc(C(=O)O)c1	739308347	JQEBDBNNHWIGTB-UHFFFAOYSA-N	313.313	1.258	50	20	DDGD	
CCN(CCNC(=O)NNC(=O)C1CCC1)c1ccccc1C	732240816	LXGLWRHGJIQUBZ-UHFFFAOYSA-N	318.421	1.952	50	20	DDGD	
CCSc1ccccc1CC(=O)NNC(=O)c1cnn(C)c1	906732897	ZBXSWGAYTBSOSY-UHFFFAOYSA-N	318.402	1.536	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC(C)(F)F)cc1OC	836206094	ZONINQHGYBOWHB-UHFFFAOYSA-N	317.292	1.303	50	20	DDGD	
C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cccc(B(O)O)c1	584954789	LGHXIURFVVKGQW-GDBMZVCRSA-N	323.201	1.460	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H]2CC23CCNCC3)cc1	831193481	LWBSDFCWCASKTP-AWEZNQCLSA-N	304.394	1.854	50	20	DDGD	
CCc1cnc([C@@H](C)NC(=O)c2ccc(B(O)O)c(F)c2)s1	584961894	ZBPOBOJLSMGDLZ-MRVPVSSYSA-N	322.170	1.015	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@@H](C)[C@@H](C)OC)cc1	836418690	OZCFCKXBLZWPQG-VHSXEESVSA-N	310.354	1.454	50	20	DDGD	
Cc1ccc2nc(CNC(=O)NNC(=O)C3CCCC3)cn2c1	918129496	JBHCUCOLRSQZOH-UHFFFAOYSA-N	315.377	1.663	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)c1)N[C@@H]1CCN(C2CC2)C1	734285448	NHPAYAQEMXJRJY-GFCCVEGCSA-N	322.796	1.521	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)COc1ccc(Cl)cc1	834922361	PWEWNILILVGBKE-UHFFFAOYSA-N	321.768	1.789	50	20	DDGD	
O=C1C[C@H](CC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)CO1	833356544	VJPSZCQQDHSONF-SSDOTTSWSA-N	309.230	1.152	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNC(=O)C1CCCC1)c1cccs1	915898170	UGHQPBUMUGCCGU-GFCCVEGCSA-N	324.450	1.871	50	20	DDGD	
COc1cc(C=O)ccc1OCC(=O)NNC(=O)OC(C)(C)C	913176263	LOZMZIFIJQXWCS-UHFFFAOYSA-N	324.333	1.442	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H](C)c2cnn(C)c2)ccc1F	837035710	AJSOFIWAUATPKU-VIFPVBQESA-N	320.324	1.593	50	20	DDGD	
CCC1(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)CC1	749520908	JYEZVSPZRBWAAU-UHFFFAOYSA-N	314.345	1.529	50	20	DDGD	
O=C(NNc1cccnn1)N[C@@H](Cn1cccn1)c1ccccc1	741428992	ZADSOMUXXVCMOZ-AWEZNQCLSA-N	323.360	1.741	50	20	DDGD	
O=C(O)COc1ccccc1C=NNC(=O)Cc1ccncc1	747645624	GCSRKCUSJDRHBT-UHFFFAOYSA-N	313.313	1.238	50	20	DDGD	
CCOc1cccc(C(C)=NNC(=O)[C@H](C)OCCOC)c1	748253394	NGIIYUKPJDKESO-ZDUSSCGKSA-N	308.378	1.977	50	20	DDGD	
CCc1nnc(C(=O)NNCC(F)(F)C(F)(F)F)s1	913163045	ANYJTJSUPMYBDI-UHFFFAOYSA-N	304.244	1.533	50	20	DDGD	
N#CSCCCNS(=O)(=O)c1c(F)cc(F)cc1F	916971411	FIWKVFDSSMTRSB-UHFFFAOYSA-N	310.322	1.987	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@@]1(Cl)C[C@H]2CC[C@H]1O2)C1CC1	912161185	QMPUXOXLUYBSBC-QYVSTXNMSA-N	317.842	1.209	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc(C(F)(F)F)cn2)n1	914762563	OKWFINIIRPQZEV-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
Cc1cc(C)n(-c2ccc(CC(=O)NN(C)C[C@H](C)O)cc2)n1	910169299	AIOZZFHZASPKFI-AWEZNQCLSA-N	316.405	1.375	50	20	DDGD	
N#Cc1ccc(NNC(=O)Cn2cncn2)cc1C(F)(F)F	748630612	ZYOKVGLTKCJPHV-UHFFFAOYSA-N	310.239	1.312	50	20	DDGD	
Cn1cc(C(=O)NNc2nc3ccccc3n2C)c(C2CC2)n1	848380847	UVXUUBIHIHNCJY-UHFFFAOYSA-N	310.361	1.941	50	20	DDGD	
O=C(NN=Cc1c[nH]nc1-c1ccc(F)cc1)N1CCOCC1	745591359	WTDPTVNKKGGAGM-UHFFFAOYSA-N	317.324	1.592	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCCCCC1)c1ncccn1	841613893	IGCRJGWYXAYQQL-ZDUSSCGKSA-N	303.410	1.829	50	20	DDGD	
CN(CCc1ccccc1F)CC(=O)NNC(=O)C(C)(C)C	744400446	JRSKFEWOIAAHHC-UHFFFAOYSA-N	309.385	1.494	50	20	DDGD	
N#CSCCCNS(=O)(=O)CCOCC(F)(F)F	916972433	OBHAOHHSJCYXPP-UHFFFAOYSA-N	306.331	1.089	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc(Cl)c2c(c1)OCCCO2	746008780	UVERVCRSIWIRKR-UHFFFAOYSA-N	313.741	1.417	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(F)c(Cl)c1	843651819	FXGWXVSPPLDJRZ-IONNQARKSA-N	300.717	1.665	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2cscn2)n1	918707829	FOZNGRNCVLZJOI-UHFFFAOYSA-N	307.404	1.792	50	20	DDGD	
CCCNC(=O)c1cccc(C(=O)NNC(=O)C2CCCC2)c1	741179048	CKMKFMWOQHHVIO-UHFFFAOYSA-N	317.389	1.778	50	20	DDGD	
COc1nccnc1NNC(=O)C1(c2cccnc2)CCCC1	840571312	ICIKPMXCGOJXTP-UHFFFAOYSA-N	313.361	1.835	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1ccccc1[N+](=O)[O-]	916357988	WLBLMJCRPPNLGQ-UHFFFAOYSA-N	304.306	1.057	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccc2c3c(cccc13)CC2	841073904	AFSKWDNRDWUWKV-UHFFFAOYSA-N	312.373	1.830	50	20	DDGD	
Cc1cccc2c1C(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)CC2	841620240	GARHYGKDWFIJFF-GFCCVEGCSA-N	321.402	1.132	50	20	DDGD	
CCOCCO[C@H]1CCN(C(=O)NNC(=O)c2ccccc2)C1	749772974	UDKOVUNHXKNDDP-AWEZNQCLSA-N	321.377	1.168	50	20	DDGD	
C=C[C@H](C)ONC(=O)NNC(=O)COc1ccccc1OCC	845638493	HTKMZLOCJJJETQ-NSHDSACASA-N	323.349	1.301	50	20	DDGD	
Cn1c(NNC(=O)C[C@@H]2C[C@H]3CC[C@H]2O3)nc2ccccc21	848380274	BGOAJICUAXSPAY-MISXGVKJSA-N	300.362	1.974	50	20	DDGD	
C=C(CN(C)C)C(=O)Nc1cccc(NC(=O)NN(C)C)c1	843869767	CDYXFICTQUNUTC-UHFFFAOYSA-N	305.382	1.341	50	20	DDGD	
CO[C@@H](CS(=O)(=O)NNC(=O)CC(C)(C)C)C1CCCC1	849307235	MNNTYSJZPPEROQ-LBPRGKRZSA-N	320.455	1.578	50	20	DDGD	
CCC(=NNC(=O)COc1ccc(C#N)cc1)c1cnn(C)c1	741805891	VHZFOXAIZQKSPU-UHFFFAOYSA-N	311.345	1.601	50	20	DDGD	
CO[C@]1(C=NNC(=O)COc2cc(C)cc(C)c2)CCOC1	841606530	HIHJFKJVSOYHRP-INIZCTEOSA-N	306.362	1.590	50	20	DDGD	
C[C@H](Cc1cnc[nH]1)C(=O)NNC(=O)Cc1ccc(F)cc1	847291809	XQMBQPCNZXNFKT-SNVBAGLBSA-N	304.325	1.118	50	20	DDGD	
CN(CC(=O)NC[C@H]1CCCO1)NC(=O)OCc1ccccc1	859389338	HCAZCYFSJFHTPN-CQSZACIVSA-N	321.377	1.055	50	20	DDGD	
CCC[C@H](C(=O)NNC(=O)c1cccc(F)n1)c1ccccn1	856426597	BHMRCHPWFZHJJG-NSHDSACASA-N	316.336	1.961	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2ccc(C)cc2O)c[nH]1	753163886	UMRPMBKVNYZXQZ-UHFFFAOYSA-N	301.302	1.579	50	20	DDGD	
C=C(CBr)COC(=O)Cn1cc(C(=O)OC)cn1	859972849	KARAVVKXEWUVJZ-UHFFFAOYSA-N	317.139	1.164	50	20	DDGD	
Cc1nn(C)c(N2CCOCC2)c1C=NNC(=O)CC(C)(C)C	755696897	AZDOVSCRNKCOOJ-UHFFFAOYSA-N	321.425	1.451	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)Cc1ccc(CN(C)C)cc1	859213558	XIANFHGNVRPPBT-CYBMUJFWSA-N	320.437	1.126	50	20	DDGD	
O=C1CCCCC[C@H](C(=O)NNC(=O)OCC(F)(F)F)C1	856018514	BDKOXOGLIURPOU-QMMMGPOBSA-N	310.272	1.846	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cccc(Cn2cccn2)c1	755685967	GELGRTUPEPCCCG-UHFFFAOYSA-N	317.349	1.121	50	20	DDGD	
C[C@H](NC(=O)NC[C@]1(C)C[C@H]1Br)C1(CO)CC1	923368907	GWYUZDXUDAJTRI-NGZCFLSTSA-N	305.216	1.620	50	20	DDGD	
O=C(NNC(=O)[C@H](O)C1CC1)c1cc2c(s1)CCCCC2	854250106	NYXPWYOLERAXDB-CYBMUJFWSA-N	308.403	1.549	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(F)cc1C(F)(F)F	854923539	ZHDOZZKOMCKQMT-UHFFFAOYSA-N	309.288	1.925	50	20	DDGD	
C[C@]1(C(=O)O)CCN(C(=O)NC[C@@]2(C)C[C@H]2Br)C1	857100254	FGFBLFLRUGODHT-JFUSQASVSA-N	319.199	1.666	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@@H]2CCO[C@@H](C)C2)c1	858343346	YQCAGDHEPCGRLH-WDEREUQCSA-N	311.407	1.816	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)s1	751619154	LDZKQRZPTUKROJ-ZETCQYMHSA-N	311.432	1.858	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C(=O)c1cnn(C)c1	751166472	LXPZUNJGUUWOHG-UHFFFAOYSA-N	305.246	1.125	50	20	DDGD	
COc1cc(C(=O)NN=Cc2cn(C)nn2)ccc1OC(C)C	755569482	IBWNVZFJVYEDCH-UHFFFAOYSA-N	317.349	1.375	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)[C@@H]2CCCc3ccccc32)nn1	757401050	BOOVMJDGBFDMTK-GFCCVEGCSA-N	311.345	1.139	50	20	DDGD	
Cn1cc([C@@H](CO)NC(=O)/C(C#N)=C/c2ccc(F)cc2)cn1	752673985	NFMZQGQJNHFVNT-KXCGHJCSSA-N	314.320	1.316	50	20	DDGD	
COC1CCN(C(=O)NC[C@]2(C)C[C@@H]2Br)CC1	856755273	TWXPZSHGKAKBGB-JQWIXIFHSA-N	305.216	1.980	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)c1cccc(-n2ccnn2)c1	857533340	UIJIDXWLTSNURK-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
O=C(C[C@@H]1CCC(=O)N1)NNc1cc(Cl)ccc1[N+](=O)[O-]	854782910	VKTKBLAIJMIUIN-QMMMGPOBSA-N	312.713	1.360	50	20	DDGD	
COC[C@@H](C)CNC(=O)NNc1cccc(C(=O)OC)c1C	853762894	COJYGEYDFICULG-JTQLQIEISA-N	309.366	1.690	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cnc(C(F)(F)F)nc1	931754737	LEUGLBFTQKQREP-UHFFFAOYSA-N	315.255	1.452	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(C)nn1C1CCOCC1	858778424	IMHLTMOGUJTUCZ-UHFFFAOYSA-N	323.397	1.287	50	20	DDGD	
COc1cccc(C2(NCC(=O)NNC(=O)C(C)C)CCC2)c1	852693477	IUSKFMKYPFRHAT-UHFFFAOYSA-N	319.405	1.467	50	20	DDGD	
CC(C)N1CC(=NNC(=O)[C@@H]2COc3ccccc3O2)[C@H](C)C1	754256607	XFVNKQYKNZDCOU-WBMJQRKESA-N	317.389	1.659	50	20	DDGD	
Cc1ccccc1C[C@H](C)C(=O)NNC(=O)N1CCN(C)CC1	861570737	KVSMRYCBZDZIKV-AWEZNQCLSA-N	318.421	1.162	50	20	DDGD	
C[C@@H]1C[C@H](CC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC(C)(C)C1	862454605	WNFCWLIUFVLZLF-IJLUTSLNSA-N	309.410	1.265	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C(C)(C)Cc2ccccc2)n[nH]1	869013677	GHNZULVVGWYLDX-UHFFFAOYSA-N	314.389	1.677	50	20	DDGD	
Cc1cccnc1[C@@H]1CCCC(=NNC(=O)CS(C)(=O)=O)C1	863187007	UOSCCBQKQGNMNM-GFCCVEGCSA-N	323.418	1.564	50	20	DDGD	
COC(=O)[C@]1(C)CCN(S(=O)(=O)CC(C)(C)CCl)C1	866960543	OWJHSCXAABKZRR-GFCCVEGCSA-N	311.831	1.466	50	20	DDGD	
COC(=O)c1ccc(C(C)=NNC(=O)c2cc(C)[nH]n2)cc1	767790628	DNMVANSXICOTLA-UHFFFAOYSA-N	300.318	1.659	50	20	DDGD	
Cc1noc(C2CC2)c1NC(=O)NNC(=O)c1cnccn1	767899704	LEVGHBPXZSCZGR-UHFFFAOYSA-N	302.294	1.117	50	20	DDGD	
OB(O)c1ccc(CNc2ccc(OC(F)(F)F)cc2)cc1	864018321	CWCNIINQHCKUOM-UHFFFAOYSA-N	311.068	1.877	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)C2CSC2)c1C	864492886	RWBKRHVSUZZFAX-LLVKDONJSA-N	308.403	1.581	50	20	DDGD	
COc1nccnc1NNC(=O)c1cccn1Cc1ccncc1	764464707	HCPAOBJMHJZYMY-UHFFFAOYSA-N	324.344	1.487	50	20	DDGD	
CCn1cc(S(=O)(=O)NNC(=O)c2ccccc2C)nc1C	768036249	LMTFQSUVPUNARR-UHFFFAOYSA-N	322.390	1.143	50	20	DDGD	
CCO[C@@H](C(=O)NNc1ncc(Br)cn1)C1CC1	862145156	NDLGPJYVFXHRFA-SECBINFHSA-N	315.171	1.497	50	20	DDGD	
CNC(=O)NN=C(C)c1ccc(N2CCOCC2)cc1Cl	764681954	LGRSJRRCCRTGHV-UHFFFAOYSA-N	310.785	1.830	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cncc(Br)c1C	934264815	XCXALNCRFVOUJR-UHFFFAOYSA-N	301.144	1.715	50	20	DDGD	
CCN(C(C)=O)c1nc(C=NNC(=O)c2ccncc2)cs1	767015112	GTBJZSIEOUBDOB-UHFFFAOYSA-N	317.374	1.675	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2ccc(N(C)CCC#N)cc2)n[nH]1	764793943	VIUXWVLQSDYOJW-UHFFFAOYSA-N	310.361	1.832	50	20	DDGD	
C[C@H](CCC1CC1)NC(=O)NNC(=O)COc1ccccc1O	768964413	BMHCLIDLNGJLON-LLVKDONJSA-N	321.377	1.680	50	20	DDGD	
COc1cc(OC)c(C(=O)NN=c2cc[nH]c(C)c2)cc1OC	862508719	XGUQQCVPCAHRLH-UHFFFAOYSA-N	317.345	1.595	50	20	DDGD	
C[C@]1(CNC(=O)/C=C\CN2CCOCC2)C[C@H]1Br	869357028	NTJQPJIBYVKHHP-XFKWNRGUSA-N	317.227	1.165	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)OC[C@@H]2COC(=O)O2)c1	763896315	LQQUOEMKMOTEAJ-HQIZRNBFSA-N	303.270	1.681	50	20	DDGD	
COCCOc1cccc(C(=O)NN[C@H](C)C(F)(F)F)c1	862309304	OWPOCABXWMWRJT-SECBINFHSA-N	306.284	1.897	50	20	DDGD	
O=C1O[C@@H](C(=O)NNc2nc3ccccc3[nH]2)Cc2ccccc21	768504111	LKNMXXFENNOKES-CQSZACIVSA-N	322.324	1.788	50	20	DDGD	
O=C(NNC(=O)c1cnc([C@@H]2CCCO2)s1)c1ccccn1	760223995	REVLJCJTQVXNSF-JTQLQIEISA-N	318.358	1.464	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@H](COc2ccc(B(O)O)cc2)C1	863865460	DVLISVAXMKZJRA-LBPRGKRZSA-N	321.182	1.002	50	20	DDGD	
COc1cc(CCC(=O)NNCC(F)(F)C(F)(F)F)on1	863102715	TYXMNKWIHYILDM-UHFFFAOYSA-N	317.214	1.434	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)Cc2c(C)nc(C)nc2O)c1	862478039	RAYPILGZRDQWIS-UHFFFAOYSA-N	320.374	1.173	50	20	DDGD	
C[C@H]1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)C[C@H]1C	766985817	YPAOIMCKSIOIGJ-QWHCGFSZSA-N	314.389	1.297	50	20	DDGD	
CC1(C)CCCC(=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1	767775445	GWPLIFQJWFXFCO-LLVKDONJSA-N	301.412	1.429	50	20	DDGD	
Cc1cnc(CC(=O)NNC(=O)c2cccc(N(C)C)c2)s1	765469632	VODRACSZAHCOHY-UHFFFAOYSA-N	318.402	1.521	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CN2CCC=C(Cl)C2)cc1	878791524	GXQWPFXYLURZSG-UHFFFAOYSA-N	318.764	1.148	50	20	DDGD	
COCCOCC(=O)NN=Cc1cc(F)c(N(C)C)cc1F	872399878	KCLULUVJCZNTLM-UHFFFAOYSA-N	315.320	1.144	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2Cc3ccccc3C2)cc1	1116768742	UEVGPDXPEWTNOB-UHFFFAOYSA-N	310.353	1.871	50	20	DDGD	
CS(=O)(=O)c1ccc(NC(=O)NCC(Cl)Cl)nc1	1119325808	RUGFCWBFBVFYSD-UHFFFAOYSA-N	312.178	1.410	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)C1CC1)c1ccccc1OC	775089823	UVGMYIIROHVRDC-CYBMUJFWSA-N	305.378	1.293	50	20	DDGD	
C#CCO[C@H](C)C(=O)NNC(=S)Nc1cc(C)ccc1F	874946571	NRKCXRWFTGPUIZ-SNVBAGLBSA-N	309.366	1.490	50	20	DDGD	
CCc1cccc(C(=O)NNC(=S)NCCSC)c1O	770245080	CMXHKWFUCCPFQC-UHFFFAOYSA-N	313.448	1.427	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@@H](CC)c1ccc(F)cc1F	775449517	JKZMJCUDVIXLMB-ZANVPECISA-N	313.348	1.951	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)N[C@H]1C[C@H](OC)C1	875906235	KEXNPIZOHZJTHS-JOCQHMNTSA-N	321.377	1.136	50	20	DDGD	
CO[C@H](CNC(=O)NN=c1cc[nH]c(C)c1)Cc1ccccc1	875630741	FEIRQPHXGUNHAT-INIZCTEOSA-N	314.389	1.696	50	20	DDGD	
CC(C)[C@@H](CO)NC(=O)NNC(=O)c1ccc2ccccc2c1	778611838	KWSLLUJHNUAFAI-OAHLLOKOSA-N	315.373	1.801	50	20	DDGD	
COC(=O)COc1cccc(NC(=O)NNc2ncccn2)c1	775510103	VAGNZXAEEIAYIP-UHFFFAOYSA-N	317.305	1.177	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)c2nccs2)c1	773506063	SQVCZJXAFVCUBP-UHFFFAOYSA-N	319.342	1.070	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1csc([C@@H]2CCCO2)n1	887145453	FAKZHIMKZPEFLI-NSHDSACASA-N	307.375	1.559	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCO[C@@H](C)C2)cc1C	776341435	SVBBIIFVFKUBJL-UONOGXRCSA-N	320.389	1.645	50	20	DDGD	
COC(=O)c1ccc(OC)cc1OS(=O)(=O)CCCCl	881747304	NIZVMDCOOWLFKA-UHFFFAOYSA-N	322.766	1.819	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cccc([S@](C)=O)c2)n1	775616240	RWOUYTNJMWNBRR-QFIPXVFZSA-N	321.362	1.371	50	20	DDGD	
CCO[C@@H]1C[C@@H](NS(=O)(=O)CCCCl)[C@@]12CCCO2	882066082	AONBWUKUYLTBHC-UTUOFQBUSA-N	311.831	1.261	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccccc1F)[C@@H]1CCCOC1	780042635	FFKZZTDXFPQQJV-GHMZBOCLSA-N	309.341	1.585	50	20	DDGD	
O=C(CN1CCSC1=O)NNc1c(F)cc(F)cc1F	885151117	VRWMHETXMLEFFF-UHFFFAOYSA-N	305.281	1.716	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC(C(=O)NCC(C)C)CC1	884925402	YXEFSLQXQZVLBQ-SDNWHVSQSA-N	307.394	1.441	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(F)cc1NC(C)=O	887141756	HQZYPFKIWLOPNK-UHFFFAOYSA-N	305.309	1.349	50	20	DDGD	
CCN([C@@H](CO)c1ccccc1)S(=O)(=O)CBr	882753068	AEOQVEXDWUKNAC-NSHDSACASA-N	322.224	1.724	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)CCCC(N)=O)cc1	787866731	UYKDHPWFLYWDFJ-UHFFFAOYSA-N	324.406	1.059	50	20	DDGD	
CCn1[nH]c(C)nc1=NC(=O)NNc1cc(F)cc(Cl)c1	888544951	DVEORZWTQLGQDL-UHFFFAOYSA-N	312.736	1.969	50	20	DDGD	
Cc1ccc(Br)nc1C(=O)NNc1cccnn1	787264450	SWFJIHZWQJDHDI-UHFFFAOYSA-N	308.139	1.699	50	20	DDGD	
CN(C)[C@]1(CNS(=O)(=O)CCCCCl)CCSC1	780807623	QXJCNGAQPBLDMN-NSHDSACASA-N	314.904	1.362	50	20	DDGD	
CC/C(C)=C(\C)C(=O)OCC(=O)NNC(=O)c1cccs1	780216507	DBUAGRNNFJPQLO-MDZDMXLPSA-N	310.375	1.799	50	20	DDGD	
CC[C@H](OC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C)C(=O)OC	782628516	NQVBODPWFGYISK-CYIWUNGXSA-N	315.329	1.607	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)c1ccc[n+]([O-])c1	787435796	ACQOJMSMQLADHS-UHFFFAOYSA-N	320.736	1.118	50	20	DDGD	
COc1cc(C)sc1C(=O)NNC(=S)NC(C)(C)C	899995109	HSEBGFCGSYBHRF-UHFFFAOYSA-N	301.437	1.973	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(OC)c(C(C)C)c(OC)c1	781309811	JTOWGDVDMWJNIQ-UHFFFAOYSA-N	309.366	1.791	50	20	DDGD	
CN1CCC[C@H]1c1cc(C(=O)NNC(=O)CC2CCCC2)n[nH]1	896032906	IOVYMXKAWCQBPA-AWEZNQCLSA-N	319.409	1.518	50	20	DDGD	
CSCCONC(=O)NNC(=O)c1ccc2ccccc2n1	793248486	FOQKMLDLXSGCSI-UHFFFAOYSA-N	320.374	1.473	50	20	DDGD	
O=C(CC1OCCO1)NNc1ccc(Br)cc1F	793706194	KMNZPZYZVZRFQM-UHFFFAOYSA-N	319.130	1.794	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1ncccc1Cl	794181178	TZYODUOZDVVXFJ-UHFFFAOYSA-N	323.711	1.714	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1ccc2nn[nH]c2c1	798309673	BAIQECJLKLYGLZ-UHFFFAOYSA-N	310.317	1.733	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1CC[C@H](C)C[C@H]1n1cncn1	794485828	LTGFOBIYFKTVLV-DZGCQCFKSA-N	320.441	1.843	50	20	DDGD	
CCNC(=O)NNC(=O)c1ncccc1Oc1ccccc1	799582168	IMWLXPDPRLKYML-UHFFFAOYSA-N	300.318	1.838	50	20	DDGD	
C[C@@H]1CC[C@@H](CNC(=O)NNc2ccc(-n3cccn3)nn2)C1	793464445	AMUOTDMBXOVYIG-VXGBXAGGSA-N	315.381	1.725	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ccnc(F)c2F)n1	792310101	DRMUAUIHGWDGAN-UHFFFAOYSA-N	300.656	1.142	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc(F)cc1)CC1CCC1	796535343	ZIAXGOSMTCLUNB-UHFFFAOYSA-N	307.369	1.709	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2F)ccn1	1319334100	OGVPONQOHPCORH-UHFFFAOYSA-N	323.711	1.958	50	20	DDGD	
O=C(CCO)NN=Cc1cccn1-c1ccc([N+](=O)[O-])cc1	1319364613	GNHQFXDMRAXKLG-UHFFFAOYSA-N	302.290	1.218	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ccc3nc(O)oc3c2)c1Cl	1319236602	JZBUSEJXSJYUNN-UHFFFAOYSA-N	320.696	1.316	50	20	DDGD	
CCN1CCN(Cc2ccc(CNC(=O)CCl)cc2)CC1	1319923293	CLNBAFRITOTGPZ-UHFFFAOYSA-N	309.841	1.679	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CCCc1ccccc1)[C@H]1CCC(=O)N1	1329224852	KAIIZAZMYILVOY-TZMCWYRMSA-N	317.389	1.071	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1c(Cl)nc(OC)n1C	1324254130	RSYCLQOCSNJAKS-UHFFFAOYSA-N	315.805	1.264	50	20	DDGD	
O=C(CCc1nc2cccnc2[nH]1)NNc1ncncc1Cl	1325982566	AMOWZWIBOABNSR-UHFFFAOYSA-N	317.740	1.477	50	20	DDGD	
CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)NNC(=O)C(C)(C)C	1321226886	FDTGFPOMGBPIOK-UHFFFAOYSA-N	309.414	1.926	50	20	DDGD	
COCCCOCCC(=O)NNc1ccc(C(C)(C)C)nn1	1331121927	ZQWFFANLUUKMOS-UHFFFAOYSA-N	310.398	1.660	50	20	DDGD	
CCc1cc(OCC(=O)NN(C)[C@@H](C)CO)ccc1Cl	1336011412	RXTGCGLKQJYXQH-JTQLQIEISA-N	300.786	1.625	50	20	DDGD	
Cc1ncc(Br)c(C(=O)NCCCSC#N)n1	1331170962	OLCVCGJGFDYYMM-UHFFFAOYSA-N	315.196	1.882	50	20	DDGD	
Cc1cc(CNC(=O)NNc2nncc(N)c2Cl)ccc1F	1340565554	ZSDRFOJCDVRWRB-UHFFFAOYSA-N	324.747	1.986	50	20	DDGD	
COc1c(C(=O)NNC(=O)CC2CC2)cnn1-c1ccccc1	1347849833	KSSWRNRJBVUHKM-UHFFFAOYSA-N	314.345	1.442	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NC[C@@H](C)N1CCN(C)CC1	1352219013	IENGARJDOZTOHO-CYBMUJFWSA-N	323.416	1.396	50	20	DDGD	
CC[C@H](C)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1609186408	YUDKSPCVMXCWAV-VIFPVBQESA-N	302.338	1.064	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2[C@@H]3CCCO[C@H]32)cc1Cl	1602384770	KOPGKZIPJKNPCN-MVWJERBFSA-N	310.737	1.906	50	20	DDGD	
CCN(c1ccc(NC(=O)NNC(=O)C(=O)O)cc1)C(C)C	1605462156	HPKLYDNPPWWLMG-UHFFFAOYSA-N	308.338	1.159	50	20	DDGD	
N#CC1=CCN(C(=O)c2ccoc2C2(O)CCOCC2)CC1	1466141704	ZZLFTSMQNJIXNA-UHFFFAOYSA-N	302.330	1.573	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@]2(C(=O)O)C[C@@H]2c2ccccc2)nc1	1601107944	SYHRHIPEMGYYBS-CXAGYDPISA-N	322.324	1.655	50	20	DDGD	
Cc1ccc(NNC(=O)COc2cccc(-c3nn[nH]n3)c2)cc1	1609427166	QHCHLPAXOMOWBQ-UHFFFAOYSA-N	324.344	1.697	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc2c(n1)CNCC2	1579787946	GHKABTOPXUZGNH-UHFFFAOYSA-N	310.357	1.111	50	20	DDGD	
C[C@@H](C(=O)NNC(=S)NC(C)(C)C)[C@@H](N)c1ccccc1	1575070771	DCYJCWGJAUHSOB-ZYHUDNBSSA-N	308.451	1.616	50	20	DDGD	
CC(C)C[C@@H](N)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	1575626303	GJQLHRZIICPBGG-CYBMUJFWSA-N	307.398	1.279	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(C(=O)O)c(Cl)c1)n1cncn1	1589423428	NSVKJBDAZQDBBS-ZETCQYMHSA-N	309.713	1.334	50	20	DDGD	
CC(C)[C@H](C(=O)O)C(=O)NNC(=O)c1ccc(Cl)cc1O	1588808778	XHMDMEMMKNODQX-JTQLQIEISA-N	314.725	1.163	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(F)F	1847867112	PUTWTFVFFDUINC-UTLUCORTSA-N	308.756	1.861	50	20	DDGD	
CC(C)OCCCNC(=O)/C(C#N)=C\c1cc(C(=O)O)co1	1591722728	LREQGYHQQLZTEW-WDZFZDKYSA-N	306.318	1.816	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNc1cccc(F)c1C(=O)O	1598881873	KSHQEJXWCOPJGA-UHFFFAOYSA-N	313.285	1.102	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)C1(C(=O)O)CCC1	1593866802	CQOJXNKHGWJHCO-UHFFFAOYSA-N	310.281	1.310	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@]2(C(=O)O)CC2(C)C)cc1	1594373538	IHGXUQTWXHEFFT-INIZCTEOSA-N	319.361	1.055	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(C(=O)O)c(C)c1	1599161538	MWJGPNVFKFCQCV-NUBYWOLOSA-N	302.330	1.751	50	20	DDGD	
CO[C@H]1CCC[C@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)C1	1591354203	ODQJJBLPNDIGMW-AAEUAGOBSA-N	316.365	1.515	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)cc(C)c1/C=C(/C#N)C(=O)NC(C)C	1591838601	FAONMBGYMCJFAJ-QPEQYQDCSA-N	310.361	1.915	50	20	DDGD	
Cc1cc(O)nc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1	1592056768	VBBJZOUFMKCEBP-UHFFFAOYSA-N	311.305	1.033	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cncc(C(=O)O)c1	1599001370	BEFLQRDLIIIAHT-UHFFFAOYSA-N	315.285	1.323	50	20	DDGD	
COC[C@H]1C[C@@H](NC(=O)NNc2ccc(F)c(C(=O)O)c2)C1	1599277054	CFXYUWRFGGIVDJ-WAAGHKOSSA-N	311.313	1.575	50	20	DDGD	
O=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)CCCCl	1595192497	KIUUZMAVUHHFIG-NSHDSACASA-N	305.783	1.231	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=Cc1sc(Cl)cc1C(=O)O	1776102314	MYBMJUUUXGESLZ-HTRCEHHLSA-N	316.766	1.975	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=C1CCCc2cc(C(=O)O)ccc21	1776102087	GOAREFXCIFYSLY-DZGCQCFKSA-N	316.357	1.966	50	20	DDGD	
Cc1ccccc1OCC(=O)NNC(=S)Nc1ccccn1	161844854	YPKUATJJMBVLCB-UHFFFAOYSA-N	316.386	1.787	50	20	DDGD	
CC(=O)NC1(C(=O)NNc2ccc([N+](=O)[O-])cc2)CCCCC1	151189908	XZJGHAXSDUCWHM-UHFFFAOYSA-N	320.349	1.877	50	20	DDGD	
CNC(=O)NNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	157027479	QNBCALUNXLWLSJ-UHFFFAOYSA-N	309.329	1.876	50	20	DDGD	
COCCC1(C(=O)NNC(=O)c2c(C)nc3ccccn23)CC1	157067690	AEOWLDNUDUOJBM-UHFFFAOYSA-N	316.361	1.220	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)nc1	157654208	VZSWGFQQZGLSRE-UBHSHLNASA-N	318.377	1.674	50	20	DDGD	
CC(C)(C)S(=O)(=O)CC(=O)NNc1ncccc1Cl	156916624	PMNKLLJNIWPLCJ-UHFFFAOYSA-N	305.787	1.391	50	20	DDGD	
CON(C)CCNS(=O)(=O)c1ccc(CCCl)cc1	849408560	QPKPPWKJKVDFPJ-UHFFFAOYSA-N	306.815	1.239	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(N(CC)CCO)cc1	7697262	AYKZKMGFRLXVSM-SEYXRHQNSA-N	303.362	1.888	50	20	DDGD	
COC(=O)CNC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	53084872	RIKJQOFZGLOXNX-CHHVJCJISA-N	317.389	1.957	50	20	DDGD	
CC(C)Oc1ccc(/C=C/C(=O)NNC(=O)[C@@H]2CCCO2)cc1	58248639	LMKJAOADGTUGFM-VSGCLNPGSA-N	318.373	1.813	50	20	DDGD	
CN(C)C(=O)NNC(=O)CCc1ccc(Br)cc1	176206532	OCHMCKUEFQZCMH-UHFFFAOYSA-N	314.183	1.684	50	20	DDGD	
O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccnc1	20479239	NHKMPCKJEPTDSK-UHFFFAOYSA-N	320.692	1.718	50	20	DDGD	
CCCOCC(=O)NNC(=O)CCSc1ccc(F)cc1	65580077	NGYILBVRQMLVJY-UHFFFAOYSA-N	314.382	1.882	50	20	DDGD	
C[C@H](CCN(C)C)NC(=O)NNC(=O)Cc1ccccc1F	66977763	BYHLKXABPWKURQ-LLVKDONJSA-N	310.373	1.039	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)[C@H]2C[C@H]2C)cc1OC	24289500	QGPVYWBDPAIPEU-PWSUYJOCSA-N	306.362	1.901	50	20	DDGD	
Cc1ccc(C(=O)NNc2nnc(C)c(O)n2)cc1-n1cccc1	23312063	RGGBLVHZVPSWBE-UHFFFAOYSA-N	324.344	1.742	50	20	DDGD	
O=Cc1ccc(OCCC(=O)NNC(=O)c2ccccc2)cc1	68227820	CEGXBOLGSLGEJF-UHFFFAOYSA-N	312.325	1.729	50	20	DDGD	
C#Cc1cccc(NC(=O)C(=O)NNC(=O)c2ccccc2)c1	181984346	CXTMOGPVJLCMSU-UHFFFAOYSA-N	307.309	1.068	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2n[nH]c3c2CCC3)nn1	118524715	IFICSEYMGYFKJN-UHFFFAOYSA-N	300.366	1.743	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)c2cccc(Cl)c2)CCCO1	176046325	WPVOWVNNDZUTQK-AWEZNQCLSA-N	311.769	1.853	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cc2ccccc2o1	60415228	VQEHGBNVSORKCP-UHFFFAOYSA-N	301.224	1.939	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1cc(C#N)ccc1F	174028466	KNMMTARRGALIDX-UHFFFAOYSA-N	306.341	1.964	50	20	DDGD	
C[C@@H](C[S@@](C)=O)NC(=O)NNc1c(F)cccc1Cl	185646566	JXYZLXNOBLEHDR-ZDVLTJLQSA-N	307.778	1.872	50	20	DDGD	
Cc1cc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)sc1C	122588457	OMYINQJUBGDFQI-LLVKDONJSA-N	316.448	1.471	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1ccc(-n2cccn2)cc1	183507890	BQSHDJBXRWIEFF-UHFFFAOYSA-N	324.344	1.677	50	20	DDGD	
C[C@@H](c1cccnc1)N(C)CC(=O)NNC(=O)c1ccccc1	180203436	BQGATFSGALCXMF-ZDUSSCGKSA-N	312.373	1.536	50	20	DDGD	
CC(C)(C)n1nccc1NC(=O)C(=O)NNc1ccc(F)cc1	181387150	WMIWTBNNEJREHM-UHFFFAOYSA-N	319.340	1.859	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1sccc1-n1cccc1	186131803	ZVDLWYSOAMQMRI-UHFFFAOYSA-N	315.358	1.266	50	20	DDGD	
CCOC(=O)NNC(=O)Cc1csc(-c2cccnc2)n1	71017216	IAJKDIUXEYOBCO-UHFFFAOYSA-N	306.347	1.525	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)NCc1ccco1	138947971	WLDHWIYQPPBTNV-UHFFFAOYSA-N	324.381	1.053	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	72205769	UAOJFAXORHMKPI-UHFFFAOYSA-N	310.266	1.310	50	20	DDGD	
CCCc1cnc(NC(=O)NNC(=O)c2cc(C)n[nH]2)s1	184052743	RUTMNZZEMRYBAO-UHFFFAOYSA-N	308.367	1.594	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccccc2[N+](=O)[O-])cc1	72680610	WNXQPVWTRCRFBY-UHFFFAOYSA-N	314.301	1.985	50	20	DDGD	
COCCCOCC(=O)NNc1ccc(C(F)(F)F)cn1	132120017	QYHXNYJWCDTNJO-UHFFFAOYSA-N	307.272	1.597	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cc(C)c(C)o1	135157165	ONLCFNKOYXQZNN-UHFFFAOYSA-N	302.330	1.909	50	20	DDGD	
CC(=O)N1CCc2cc(C(=O)NNC(=O)CC(C)C)ccc21	45643634	AMJFNRJAACEYFW-UHFFFAOYSA-N	303.362	1.403	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)CCOCc1ccccc1)C1CC1	83676922	PDUFAOOGMNLSJG-LBPRGKRZSA-N	321.446	1.887	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C[C@@H]2CCCCO2)c1	86978139	KHLRURLAEVIJBT-AWEZNQCLSA-N	320.389	1.789	50	20	DDGD	
COc1ccnc(NNC(=O)[C@](C)(OC)c2ccccc2F)n1	191923875	JXTVVBKEQZNYJQ-OAHLLOKOSA-N	320.324	1.629	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cc(-n2cccn2)ccn1	191904637	UUSWCGXQHCDNIQ-UHFFFAOYSA-N	320.316	1.067	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(OCC(F)F)nc1	90370381	JJHZOAQVWXLUGT-UHFFFAOYSA-N	316.308	1.470	50	20	DDGD	
Cc1cc(C(=O)NN=C2C(=O)N(C(C)C)c3ccccc32)[nH]n1	254866998	XXNWWLRPOONKMM-UHFFFAOYSA-N	311.345	1.607	50	20	DDGD	
COc1ccnc(NNC(=O)C[C@H]2CSCCS2)n1	269714699	RNKBNHNQLMITTQ-QMMMGPOBSA-N	300.409	1.167	50	20	DDGD	
O=C(NNC(=O)c1ccc(F)c(F)c1F)NC1CCCC1	267481871	SIVBRWVBNHGIEO-UHFFFAOYSA-N	301.268	1.991	50	20	DDGD	
CCCN(CCC)CCCC(=O)NNc1nccc(OC)n1	264162090	KJCSEUCGODVERW-UHFFFAOYSA-N	309.414	1.831	50	20	DDGD	
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccccn1	264156963	XLJSNZCINAXTND-JTQLQIEISA-N	322.365	1.146	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)N[C@H]1CCOC2(CCC2)C1	269335863	OXZIUBURCKBXRH-NSHDSACASA-N	319.361	1.438	50	20	DDGD	
CC1=NN(c2ccc(C(=O)NNC(=O)C3CCC3)cc2)CC1	264814337	WFJBIARZWUSFJJ-UHFFFAOYSA-N	300.362	1.834	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)N[C@H]1CCN2CCCC[C@H]12	266687338	DPUYYDPZJSXCLW-NWDGAFQWSA-N	309.801	1.988	50	20	DDGD	
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NNC(=O)C1CCC1	264783768	RIAYJGCPPPIGBA-UHFFFAOYSA-N	313.335	1.013	50	20	DDGD	
COc1cc(C)c(S(=O)(=O)NNC(=O)C2CCC2)cc1C	264829830	ZFKQLWUXYIYCPT-UHFFFAOYSA-N	312.391	1.422	50	20	DDGD	
Cc1nnc([C@@H](C)NC(=O)NNc2cncc(Cl)n2)s1	274205460	MSYXXEKHOSRHGR-RXMQYKEDSA-N	313.774	1.677	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCS[C@H](C)CC1	277175499	ZHIJWYGOBRMRNC-LLVKDONJSA-N	323.418	1.877	50	20	DDGD	
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NNc1cccc(OC)n1	272422069	DNVGCHVSORDYIT-VHSXEESVSA-N	309.370	1.020	50	20	DDGD	
O=C(NCCc1cccc([N+](=O)[O-])c1)NNC(=O)C1CCC1	270334873	YZOLNZMOJDAVHN-UHFFFAOYSA-N	306.322	1.268	50	20	DDGD	
CC(C)(C)[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1cccc(O)c1	277687105	CMVKRPHLFUBUJX-ZFWWWQNUSA-N	320.389	1.533	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cc(Br)c(F)cc1F	277881000	POXBEDNAHWRBGY-UHFFFAOYSA-N	319.105	1.898	50	20	DDGD	
CCCCN1C(=O)CC[C@@H](C(=O)NN)[C@H]1c1ccc(OC)cc1	270228051	NZLPEEKSWNNTDA-GDBMZVCRSA-N	319.405	1.765	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H]2CCCCN2C(C)=O)cc1	270125554	IUVBARAELUZLTQ-OAHLLOKOSA-N	317.389	1.411	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1c(C)cccc1F	274191056	ZOEQPQVAVQTCIF-JTQLQIEISA-N	313.329	1.338	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C[C@H]2CCCCO2)nc1C	272194779	OHKMJHTXOMSDFB-LLVKDONJSA-N	322.365	1.364	50	20	DDGD	
O=C(NNC(=O)C1CC1)C(=O)Nc1ccc2c3c(cccc13)CC2	274046836	KHHKSURENKAKDW-UHFFFAOYSA-N	323.352	1.434	50	20	DDGD	
O=C(NNC(=O)c1ccc(C(F)(F)F)cc1O)NC1CC1	271934157	MEPDSIJIRJZNAJ-UHFFFAOYSA-N	303.240	1.517	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H]2CCOC(C)(C)C2)n1	270001893	OWUOHNZMVWNKOF-JTQLQIEISA-N	309.370	1.377	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCC[C@@H](C)CO)cc1	270517095	MHWSISADLBWDFT-GFCCVEGCSA-N	307.394	1.602	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@H]1CC12CCOCC2	370077085	JEOAVDGONCSIMI-CYBMUJFWSA-N	318.373	1.202	50	20	DDGD	
COc1ccc(C)cc1NC(=O)C(=O)NNC(=O)OC(C)(C)C	274279119	NOSXPHQSZDISFH-UHFFFAOYSA-N	323.349	1.498	50	20	DDGD	
CSc1cccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)c1	271687903	HXIBUZXBMARAHN-UHFFFAOYSA-N	309.391	1.541	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NNC(=O)CC(C)(C)C)cn1	273494657	XDRCCOIBDXDQPN-UHFFFAOYSA-N	315.395	1.226	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@]1(F)CCN(C(=O)OC(C)(C)C)C1	376017683	RSXBEYVQTBDWMU-ZDUSSCGKSA-N	319.333	1.065	50	20	DDGD	
CSSCCNC(=O)N1CC[C@@H](C(=O)N2CCCC2)C1	376500476	HHWAOEHDEHJOSH-LLVKDONJSA-N	317.480	1.652	50	20	DDGD	
CC(=O)CC(C)(C)CC(=O)NNc1ccc(-n2ccnc2)nn1	286674473	PSCHNDKEDMZJOS-UHFFFAOYSA-N	316.365	1.501	50	20	DDGD	
CC(C)OCCC(=O)NNC(=O)Nc1cc(F)cc(F)c1	283764288	NQLUEUYGQBBWGJ-UHFFFAOYSA-N	301.293	1.933	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1cc2c(nc1O)CCCC2	286636267	SPXBVJULLXLONQ-UHFFFAOYSA-N	302.309	1.957	50	20	DDGD	
CCCN(C)c1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)cc1	295290545	DGVNCPVSKDJXLF-OAHLLOKOSA-N	319.405	1.863	50	20	DDGD	
O=C(CCOc1cccc(F)c1)NNC(=O)N=c1cc[nH]cc1	802029666	PGINMIZVABMMAY-UHFFFAOYSA-N	318.308	1.264	50	20	DDGD	
Cc1ncc(C(=O)NNc2ccc(-n3ccnc3)nn2)s1	804958659	HJAVFHRYEVTLOX-UHFFFAOYSA-N	301.335	1.184	50	20	DDGD	
CN(C)C(=O)NNC(=O)C1(c2cccc(F)c2)CCOCC1	299349153	GIWMSYMDJJLFHW-UHFFFAOYSA-N	309.341	1.176	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@](C)(O)CCc1ccccc1	801140474	NBPSKTJRNAWUKJ-MRXNPFEDSA-N	307.394	1.501	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)C1CCC(O)CC1	803439587	IFZIVMDGKWFUDM-UHFFFAOYSA-N	301.346	1.522	50	20	DDGD	
CC(=O)c1cc(NC(=O)C(=O)NNC(=O)C(C)(C)C)ccc1F	806961152	KZHBLPIHWBXRKG-UHFFFAOYSA-N	323.324	1.160	50	20	DDGD	
COc1cccc(C(=O)CCCC(=O)NNc2nnc[nH]2)c1	298280259	HXHJEBYCURWPFN-UHFFFAOYSA-N	303.322	1.310	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H](O)C(C)C)cc1	291489303	SJFCJLOQHGYGIG-RISCZKNCSA-N	324.377	1.017	50	20	DDGD	
Cc1ccc2c(c1)[C@@H](NC(=O)NNC(=O)[C@@H]1CCCO1)[C@@H](C)C2	292449661	XWQJLVMMUYKXSN-CQDKDKBSSA-N	317.389	1.738	50	20	DDGD	
CC(=O)NNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1C	294227870	LSYDTINUJRCHCO-CYBMUJFWSA-N	321.377	1.728	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C2(O)CCCC2)cc1	299255120	FHOLNDOEDVMOBX-UHFFFAOYSA-N	306.362	1.080	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1coc(C(N)=O)c1	805387036	RLUIMFYQFPAEJS-UHFFFAOYSA-N	304.262	1.352	50	20	DDGD	
NC(=O)COc1cccc(NC(=O)NNc2cccc(F)n2)c1	806202107	PUJNQQXZPFLMEL-UHFFFAOYSA-N	319.296	1.233	50	20	DDGD	
CCC(=NNC(=O)CNC(=O)c1cccnc1)c1ccco1	814873504	FFXKOAXBTJMGOO-UHFFFAOYSA-N	300.318	1.335	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1cccc(OCC(=O)O)c1	818286029	OJOKIKUUDKZDPR-UHFFFAOYSA-N	314.301	1.094	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1C(=O)NNc1ncncc1F	817083044	ULEVGZZMFGZXLP-UHFFFAOYSA-N	307.241	1.289	50	20	DDGD	
Cn1nncc1NNC(=O)Cc1c[nH]c2ccc(Cl)cc12	816771793	AOHIICLRTXPXFD-UHFFFAOYSA-N	304.741	1.636	50	20	DDGD	
Cn1nncc1NC(=O)C(=O)NNc1ccc(C(C)(C)C)cc1	810383146	UQLUTEPSGYYLGF-UHFFFAOYSA-N	316.365	1.194	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H]2C[C@@H](C)Cc3c[nH]nc32)n1	816860454	MBAPFLBLRAGLNU-WPRPVWTQSA-N	302.338	1.018	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc(F)c[nH]1	814737930	NZPVTHIYLSKVPO-MRVPVSSYSA-N	309.272	1.521	50	20	DDGD	
NC(=O)c1ccccc1NCC(=O)NNc1cccc(Cl)n1	817008437	SCLMENBYUPWCJK-UHFFFAOYSA-N	319.752	1.389	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@@H](CO)c2ccccc21	814679597	SZIKUPJLARNMSR-STQMWFEESA-N	319.405	1.165	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2c(Cl)nc(N)n2C)cs1	814740195	OPBSKCPUTVVTPC-UHFFFAOYSA-N	312.786	1.113	50	20	DDGD	
C[C@H]1C(=NNC(=O)N2CCOCC2)CC[C@@H](C(=O)O)C1(C)C	814820870	DPVNYNOKMDXLHN-QWRGUYRKSA-N	311.382	1.541	50	20	DDGD	
COc1cccc(C)c1C=NNC(=O)CNC(=O)OC(C)(C)C	495965941	AYLBFWGCBSRPJP-UHFFFAOYSA-N	321.377	1.978	50	20	DDGD	
CC(=O)N1CCC(CNC(=O)NNC(=O)CC(C)(C)C)CC1	729624469	WEPKJUDIIVCEMO-UHFFFAOYSA-N	312.414	1.012	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(OCc2cccnc2)cc1	823976229	BEDZLFLORZRUEI-CYBMUJFWSA-N	315.373	1.618	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cccc(SC)c1C	495409165	WZOOPSIZAPHHOE-UHFFFAOYSA-N	311.363	1.433	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H]1COc2c(cccc2OC)C1	828033235	HVLMGJXLJLPSKQ-SUIFULHWSA-N	302.330	1.559	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCC2(CC#N)CC2)cc(C#N)n1C	491134501	RUAYMLJMYITUPG-AUWJEWJLSA-N	307.357	1.922	50	20	DDGD	
Cn1cc(-c2nn[nH]n2)cc1C(=O)NNc1c(F)cccc1F	822645713	LTCIVRLHCVQNHM-UHFFFAOYSA-N	319.275	1.240	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(F)c(C(=O)NNC(=O)NC2CC2)c1F	823768278	RUJYNAHEKCHOJC-UHFFFAOYSA-N	314.248	1.288	50	20	DDGD	
C[C@]1(C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCCOC1	824783985	LXMGNIZGQRWZIK-AWEZNQCLSA-N	302.338	1.127	50	20	DDGD	
CC(C)c1nn(C)c2sc(C(=O)NN(C)[C@@H](C)CO)cc12	823950827	FORKYJOIZYGQJY-VIFPVBQESA-N	310.423	1.716	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccc2c(c1)OC(F)(F)O2	822474318	LBNCNTKTOZTNHL-UHFFFAOYSA-N	312.272	1.959	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@H](c2ccccc2)[C@H](C)C1	827893368	BUVKQWJWSWBHOZ-ZBFHGGJFSA-N	317.433	1.915	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(-n2ccnc2S)cc1	823970182	CZDJIINTUNMPEB-JTQLQIEISA-N	306.391	1.118	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)COc1ccc(C=O)cc1	727366936	UWJMONVDYSYGQW-UHFFFAOYSA-N	312.325	1.648	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@H]1Cc2ccccc21	825884717	FIFFLNBNOOUEAI-CYZMBNFOSA-N	303.362	1.082	50	20	DDGD	
C[C@H](Cc1ccccc1F)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	825752905	DUCJFCAPBPJXGM-NQBHXWOUSA-N	323.368	1.512	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCc3ccc(F)cc32)c(F)c1	585022018	HFOPDQLNQRPQOX-INIZCTEOSA-N	303.117	1.422	50	20	DDGD	
O=C(c1c[nH]nc1-c1ccccc1Cl)N1CC[C@@H](B(O)O)C1	585070630	BHJYNWITINIPAX-SECBINFHSA-N	319.557	1.419	50	20	DDGD	
C[C@H](CN1CCCC1=O)NC(=O)/C(C#N)=C/c1ccc(O)cc1	491176859	SDICKUYGWKUYEQ-ZMTLZGASSA-N	313.357	1.426	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCN1CCC(O)(C(N)=O)CC1	829505662	LIGFQQYZRLNEFT-UHFFFAOYSA-N	302.491	1.320	50	20	DDGD	
CCNC(=O)NNC(=O)C1(Cc2ccccc2)CCOCC1	822781729	GYGQPKHCXUWBNY-UHFFFAOYSA-N	305.378	1.376	50	20	DDGD	
C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NN(C)[C@H](C)CO	823934116	CEQFIBOTSRTERV-ZJUUUORDSA-N	320.311	1.817	50	20	DDGD	
CCN(CC(=O)NNC(=O)C(C)C)Cc1ccc(OC)cc1	827429961	FHWXLAKXEIZYTK-UHFFFAOYSA-N	307.394	1.321	50	20	DDGD	
COc1ccccc1[C@H](CC(C)C)NCc1ccc(B(O)O)o1	585027283	ZDSWRXQTOPLAHW-HNNXBMFYSA-N	317.194	1.845	50	20	DDGD	
CCOCC(=O)NN=C(C)C[C@H](C)NC(=O)OC(C)(C)C	494554132	JCHIQIWANGFIOU-JTQLQIEISA-N	301.387	1.818	50	20	DDGD	
OB(O)c1ccccc1CNC[C@H]1CCC[C@H](C(F)(F)F)C1	585026912	UEBMHAYLMOIPIV-AAEUAGOBSA-N	315.144	1.825	50	20	DDGD	
NC(=O)C1(C(=O)NNC(=O)c2c(Cl)cccc2Cl)CC1	731630280	NSHMNNOJHRBHBE-UHFFFAOYSA-N	316.144	1.020	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1	496567422	GLDXJCBXGDOFND-UHFFFAOYSA-N	319.277	1.124	50	20	DDGD	
COc1ccc(C(=O)N2CC[C@@H](B(O)O)C2)c(OCC(C)C)c1	585064409	PTPQILRBLQCXOB-GFCCVEGCSA-N	321.182	1.419	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(F)c(F)c1	730577514	VHODKBPWRVJSEP-JTQLQIEISA-N	316.329	1.240	50	20	DDGD	
Cc1nccc(C(=O)NNc2ccc(Br)nc2)n1	732834970	VIGBEWLVGJGPIW-UHFFFAOYSA-N	308.139	1.699	50	20	DDGD	
COCCN1CC[C@@H](NC(=O)NNc2c(C)cc(C)cc2C)C1	739034311	HOXDBGFRKGHTDA-OAHLLOKOSA-N	320.437	1.959	50	20	DDGD	
CC(C)c1ccc(NNC(=O)NCCNC(=O)C2CC2)cc1	837359382	CTSPDPBZNUPOFQ-UHFFFAOYSA-N	304.394	1.962	50	20	DDGD	
CCO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1ccccc1C	836191638	IEDDWVVVVBKLDW-ZIAGYGMSSA-N	305.378	1.897	50	20	DDGD	
O=C(c1cccc(SC(F)(F)F)c1)N1CC[C@@H](B(O)O)C1	585066327	LAOQHJOJVFVPDB-SECBINFHSA-N	319.113	1.987	50	20	DDGD	
C[C@]1(C(=O)N2CCO[C@@H](c3ncon3)C2)C[C@@H]1Br	907306117	HMOJPZXPGWLXFQ-FYBVGQRMSA-N	316.155	1.143	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2cccc(Cl)c2Cl)CN1	838342847	BMPMMDLCASJHFL-SSDOTTSWSA-N	302.161	1.963	50	20	DDGD	
CCC[C@H]1[C@H](C)CCCN1C(=O)c1ccc(B(O)O)c(F)c1	584955900	RNNCVEAXLODYTL-ABAIWWIYSA-N	307.174	1.546	50	20	DDGD	
OB(O)c1ccccc1CNc1ccccc1N1C[C@H]2CC[C@H]1C2	585038744	LEOOCZUYIYOAID-HOCLYGCPSA-N	322.217	1.967	50	20	DDGD	
CC[C@H](C)c1nc(C)c(CC(=O)N2CC[C@@H](B(O)O)C2)c(C)n1	585063711	FXEZJBVRYXTNDP-GXFFZTMASA-N	319.214	1.225	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cnnn1-c1ccccc1Cl	732143094	RAHSRLROSJMRQS-UHFFFAOYSA-N	319.752	1.482	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@@H]2CCCCO2)c(OC)c1OC	834990617	UBBOFLSXPOIVKH-ZDUSSCGKSA-N	322.361	1.732	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc2c(c1)CCO2	831217569	BXYNYUPZFGKWHL-JOYOIKCWSA-N	305.334	1.199	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H]2C[C@@H](O)C2)c1C	839789887	JWUJVIXIMQGDQU-CCPCPTLASA-N	317.389	1.298	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C(C)(C)C1CCC1	838156855	JGJFNQPMRWWQJM-LLVKDONJSA-N	312.410	1.938	50	20	DDGD	
CC(C)(C)C(=O)NC[C@H]1CCCN(S(=O)(=O)CCl)C1	830487774	RCRIPIPDAAQZSO-SNVBAGLBSA-N	310.847	1.387	50	20	DDGD	
CC(C)(O)[C@@H](Oc1ccccc1)C(=O)NNc1cnccn1	832395454	KJSJTXZJYGWYIZ-ZDUSSCGKSA-N	302.334	1.138	50	20	DDGD	
C[C@H]1CC(NC(=O)NNc2ncc(F)cc2F)C[C@H](C)O1	838535178	QWSSXHBPSHQNPU-YUMQZZPRSA-N	300.309	1.942	50	20	DDGD	
Cc1csc(-c2cccc(C(=O)N3CC[C@@H](B(O)O)C3)c2)n1	585070456	XFXRWGRHXKSGIP-CYBMUJFWSA-N	316.191	1.807	50	20	DDGD	
Cc1ccc(O)c(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)n1	737363486	ADAUGEXHHOHWQV-UHFFFAOYSA-N	323.316	1.040	50	20	DDGD	
CCOc1ccc(C(C)=NNC(=O)NCC(=O)O)cc1[N+](=O)[O-]	833663811	MDCJXGBWUGNFSM-UHFFFAOYSA-N	324.293	1.101	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c2[nH]ncc12	831457392	WDXYUEAODXYNQS-ZJUUUORDSA-N	317.349	1.449	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCCN2CCc3ccccc32)cn1	831609264	BBKGJASQDCNCJP-YBEGLDIGSA-N	321.384	1.506	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)[C@@H]1CCCCO1)C1CCOCC1	838503181	RNCCHFVPKYPCSN-OLZOCXBDSA-N	313.398	1.091	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccccc1Oc1cccnc1	748053844	YOGQSRKSYSCTLR-UHFFFAOYSA-N	300.318	1.790	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNc1cc(O)nc2ncccc12	913987959	FGPRJEQGAAEJNH-GFCCVEGCSA-N	304.350	1.984	50	20	DDGD	
C=CC[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccccc1	843658896	SMOHQBXKYMHQTM-YUELXQCFSA-N	302.374	1.919	50	20	DDGD	
CC(C[C@@H]1CCCC(=O)N1)=NNC(=O)COc1ccccc1F	841606448	HMXDBLIXIJPTHX-LBPRGKRZSA-N	321.352	1.755	50	20	DDGD	
COc1ccc2c(ccn2CC(=O)NNC(=O)c2ccncc2)c1	915635882	VUPVJHUSDMIKAN-UHFFFAOYSA-N	324.340	1.506	50	20	DDGD	
C[C@H]1NCCC[C@H]1NC(=O)NNc1cc(F)c(F)c(F)c1	841980042	VNIJEBFKVFSNNE-RDDDGLTNSA-N	302.300	1.871	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)/C=C/Sc1cc(F)ccc1F	910150171	OQYNDTTWHJICNC-VUHVRTRXSA-N	302.346	1.914	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc(C(=O)OC(C)(C)C)cn1	843759273	CUXBGVDJLCMROO-UHFFFAOYSA-N	321.377	1.844	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)CC(F)(F)F)c1ccc(C#N)cc1	918073450	ONNNISNVAZHBQC-QMMMGPOBSA-N	314.267	1.902	50	20	DDGD	
CC(C)(C)[S@](=O)CCNC(=O)NNc1ccc(F)cc1	741414703	UPSXXFZLJJOZPF-HXUWFJFHSA-N	301.387	1.999	50	20	DDGD	
CO[C@H](C=NNC(=O)COc1ccc(C)c(C)c1)[C@@H]1CCOC1	841606424	HFFHZYIRJOEZKA-GDBMZVCRSA-N	320.389	1.836	50	20	DDGD	
CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NN	916665714	DQSLQCHWHIHZQD-CQSZACIVSA-N	321.402	1.133	50	20	DDGD	
C[C@@H]1COC(=O)C1=NNC(=O)CSc1ccccc1[N+](=O)[O-]	842568681	YZGUDCLACHFBEJ-MRVPVSSYSA-N	323.330	1.352	50	20	DDGD	
O=C(NN=C1CCOc2c(F)cc(F)cc21)C(=O)N1CCCC1	748136784	QATNZRYEORPZNO-UHFFFAOYSA-N	323.299	1.190	50	20	DDGD	
NC(=O)NN=Cc1ccccc1OCc1cn2ccccc2n1	748579868	SLBDQEMZFKPGGG-UHFFFAOYSA-N	309.329	1.916	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=c1c(=O)c2cccc3cccc1c32	842554830	MKQLMRPNMJSFGI-PWSUYJOCSA-N	308.337	1.586	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C2CCCC2)cc1OC	914842918	XAZUSPYLFVQGRO-UHFFFAOYSA-N	320.389	1.974	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N[C@H](CN)C1CC1)c1ccccc1	841945770	XKXMUINAUHGWKQ-CYBMUJFWSA-N	304.394	1.032	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1CNC(=O)NNC(=O)C(C)C	918114209	FFFDBVBWDWNQIK-UHFFFAOYSA-N	310.310	1.090	50	20	DDGD	
COCC1(CC(=O)NNC(=O)Nc2ccc(OC)cc2)CC1	843879580	BDRZKRRFIIBAOP-UHFFFAOYSA-N	307.350	1.665	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)Nc2ccccc2)CCCC1	843880239	LVRVNVSXZYJXDI-UHFFFAOYSA-N	319.361	1.963	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)Cn2nc(C)cc2C)C12CCC2	741161998	PKAGJDPXTOSIJV-CQSZACIVSA-N	304.394	1.951	50	20	DDGD	
Cc1cc(C)c(S(=O)(=O)NNC(=O)[C@H]2CCO[C@@H]2C)s1	842588715	DFXNIJRKDIPIPE-ZJUUUORDSA-N	318.420	1.099	50	20	DDGD	
CCCC(C)(C)C(=O)NNC(=O)CNC(=O)c1cccs1	844363432	LLBFIQACEKJEPH-UHFFFAOYSA-N	311.407	1.452	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1)[C@H]1CCOC1	741757321	QGELSDOHKKCXOL-CXTNEJHOSA-N	311.426	1.260	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(-n2cccc2)cc1	843645860	INOXLDMLAWQPSI-DOMZBBRYSA-N	313.357	1.663	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2cnc3cnccn23)cs1	746370805	NOPWBISLEDUKKN-UHFFFAOYSA-N	300.347	1.187	50	20	DDGD	
COc1ccc(OCC(=O)NN=C2CCN(C)[C@H](C)C2)cc1	741455589	DADKQOZVOFFXQE-GFCCVEGCSA-N	305.378	1.660	50	20	DDGD	
CC(=NNC(=O)c1cccnc1)c1ccc2c(c1)NC(=O)CO2	744555823	VYKRODNRRSOYOI-UHFFFAOYSA-N	310.313	1.567	50	20	DDGD	
NC[C@H](NC(=O)NNC(=O)c1ccc(Cl)cc1)C1CCCC1	841984081	AYOGYPXXAUUNTN-ZDUSSCGKSA-N	324.812	1.802	50	20	DDGD	
O=C(O)[C@]1(C(=O)NNc2ncnc3ccsc23)CC=CCC1	846708833	VXYCEYWRWGRGFD-CQSZACIVSA-N	318.358	1.946	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)ccc1-n1cncn1	842552111	HHNOMLRMMOKRFC-TZMCWYRMSA-N	313.361	1.451	50	20	DDGD	
CC(C)C1(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)COC1	929294375	CHVRVZKKLGPCTF-LLVKDONJSA-N	324.352	1.413	50	20	DDGD	
NC(=O)c1csc(C=NNC(=O)c2cc(Cl)ccc2O)c1	755892070	JGMQEESMWIRYMJ-UHFFFAOYSA-N	323.761	1.970	50	20	DDGD	
CCO[C@H]1CCCN(C(=O)NNC(=O)c2cc(C)cs2)C1	858706070	PUNKSAOZLQIMCN-NSHDSACASA-N	311.407	1.912	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C1(COC)CCCC1	854286287	PBFXEZMHDAVNAM-UHFFFAOYSA-N	317.455	1.067	50	20	DDGD	
CCCOc1ccc(CCC(=O)NNC(=O)c2cc[nH]n2)cc1	855358903	ZKAGYCSUEDSUSD-UHFFFAOYSA-N	316.361	1.592	50	20	DDGD	
CCOc1ccc(NNC(=O)c2cn(C)nc2COC)cc1	857512228	KDKRXGGDJWJASM-UHFFFAOYSA-N	304.350	1.722	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1cc(F)cc([N+](=O)[O-])c1	759302711	ZOLPUXNQQGWFRS-UHFFFAOYSA-N	321.224	1.794	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@H]2CCCNC2)C[C@H]1Br	857104204	PEFRFSNBRXBLHQ-HOSYDEDBSA-N	304.232	1.459	50	20	DDGD	
CC(C)Nc1ncccc1C(=O)NNC(=S)N[C@H](C)C1CC1	855101160	RAFOXLLYMHOPGD-SNVBAGLBSA-N	321.450	1.809	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cc[nH]n2)c(C2CCCCC2)n1	855358749	UUUKOOSJWRGWQV-UHFFFAOYSA-N	316.365	1.266	50	20	DDGD	
CCOC1(C(=O)NNc2nccnc2C2CCC2)CCOCC1	854460221	YMHQPYMGDXEKAS-UHFFFAOYSA-N	320.393	1.773	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NC[C@H](C)S(C)(=O)=O)c(C)c1	754676732	UJMVAAWAKPSHHN-LBPRGKRZSA-N	313.423	1.671	50	20	DDGD	
C[C@H](CCc1ccc(O)cc1)NC(=O)NNC(=O)c1cn[nH]c1	858125565	KCZQBKDBFGLSEY-SNVBAGLBSA-N	317.349	1.081	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)c1cccc(OC(F)F)c1	755287784	MNHICXKQFPLOSW-VIFPVBQESA-N	316.304	1.722	50	20	DDGD	
CSSCCNC(=O)NC[C@H]1CC(=O)N(C(C)(C)C)C1	854051430	TZIJIEWVFMKHCF-SNVBAGLBSA-N	319.496	1.944	50	20	DDGD	
COc1cccc(OC)c1C(=O)NNc1cc(Cl)nc(N)n1	753454346	RHGVIKQIJAEHGU-UHFFFAOYSA-N	323.740	1.486	50	20	DDGD	
C[C@H](CN1CCCCCC1)C(=O)NN=Cc1cnc2n1CCC2	853281220	PWFLZYIGBIOIMB-CQSZACIVSA-N	317.437	1.792	50	20	DDGD	
COc1cc(F)ccc1NC(=O)NNC(=O)c1cnccn1	755667352	KGTCQAPFAQGALZ-UHFFFAOYSA-N	305.269	1.091	50	20	DDGD	
Cn1ccnc(NC(=O)NC[C@@]2(C)C[C@@H]2Br)c1=O	856854433	LQCHFNIDMNIFPO-WRWORJQWSA-N	315.171	1.075	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(OC)ccc1OC(F)F	755822262	HYDXKBPVGXRHEW-UHFFFAOYSA-N	303.265	1.859	50	20	DDGD	
COc1ccc(OC)c(CC(=O)NNC(=O)c2ccncc2)c1	921184152	IANGTSSQDHTMLL-UHFFFAOYSA-N	315.329	1.103	50	20	DDGD	
Cc1nnc(CNC(=O)NC[C@@]2(C)C[C@H]2Br)o1	856848914	DRSVPSUZFFTYAX-GMSGAONNSA-N	303.160	1.351	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)c2ccc[nH]2)cc1C	756376085	AVTAXDZVTHKWTK-UHFFFAOYSA-N	316.317	1.576	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C[C@@](C)(O)C2CC2)cc1C	755406732	PHHFPILOKDDGHI-QGZVFWFLSA-N	320.389	1.381	50	20	DDGD	
Cc1nc(CC(C)C)c(C(=O)NNc2nnc(C)c(O)n2)s1	755683753	WISFXDVSFYMGSY-UHFFFAOYSA-N	322.394	1.606	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NNc1cc(F)cc(Cl)c1	855618719	OQWDLPXNUOZLOA-JTQLQIEISA-N	315.776	1.891	50	20	DDGD	
CN1Cc2ccccc2[C@@H](NC(=O)NNC(=O)C(C)(C)C)C1	757026679	IQTORKKLXJQJMD-ZDUSSCGKSA-N	304.394	1.550	50	20	DDGD	
CCOC[C@H](NC(=O)NNC(=O)c1cccc(F)n1)C(C)C	852274441	JXMOLRUOBFFRSM-NSHDSACASA-N	312.345	1.226	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NC[C@]1(C)C[C@@H]1Br	857402032	COYHJXYDYXKABC-UFBFGSQYSA-N	305.216	1.438	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(C(=O)N(CC)CC)cc1	755445841	HIKXWZKFELZJSM-UHFFFAOYSA-N	306.366	1.731	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)c1ccc(C)cc1)[C@@H]1CCCO1	754513684	GQBZIWCQSYLORY-GJZGRUSLSA-N	319.405	1.303	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccccc1O[C@H](C)C#N	757977412	JIPCRYKUWZGFRL-SNVBAGLBSA-N	306.322	1.167	50	20	DDGD	
COCCn1ncc2ccc(NC(=O)NNC(=O)C3CC3)cc21	764653860	XJKYZLLKLYRHHD-UHFFFAOYSA-N	317.349	1.245	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)CCc2ccccc2)CCC1=O	764075133	RJWDGLNCIFRRDE-TZMCWYRMSA-N	302.374	1.772	50	20	DDGD	
O=C(NNC(=O)c1cnn2ncccc12)NC1CCCCC1	765186445	TXJGPCUFDQPBKE-UHFFFAOYSA-N	302.338	1.006	50	20	DDGD	
COc1cc(NCc2ccc(B(O)O)cc2)cc(Cl)c1OC	864041520	OFTPVZIXVYKEGQ-UHFFFAOYSA-N	321.569	1.649	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccccc1OCC(C)C	869909801	JTLKOBPNMWKJAD-UHFFFAOYSA-N	324.377	1.145	50	20	DDGD	
O=C(NCC(Cl)Cl)[C@H]1CCN(Cc2ccccc2)C1=O	935967418	FPTBZBWOPQNPHS-LLVKDONJSA-N	315.200	1.955	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@]1(C)CCOc2ccccc21	932231199	XRJIVDPWSWOXAD-INIZCTEOSA-N	314.345	1.220	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NC[C@H](CO)Cc1ccco1	866828857	CPHVWGXOVOGJJN-LLVKDONJSA-N	323.842	1.615	50	20	DDGD	
COc1cccc(NNC(=O)c2cn(C)c(=O)c3ccccc23)n1	760496124	MFGSUEUTAAJBSG-UHFFFAOYSA-N	324.340	1.699	50	20	DDGD	
COc1cccc([C@@H](O)C(=O)NNC(=O)NC2CCCC2)c1	764911902	VAAKSDJJRSZCLH-CYBMUJFWSA-N	307.350	1.002	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C)cc[nH]1	862513560	STSVYHGNKQIZLH-LLVKDONJSA-N	322.409	1.758	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cc(F)cc2cccnc12	760238975	GKKFVSYOPWLCFB-UHFFFAOYSA-N	302.309	1.349	50	20	DDGD	
COC(=O)COc1ccc(C(=O)NN[C@@H](C)C(F)(F)F)cc1	862308397	DODJLVJXTVHBQV-QMMMGPOBSA-N	320.267	1.424	50	20	DDGD	
CC[C@]1(C(=O)NC[C@@]2(C)C[C@@H]2Br)CCNC1=O	869357369	QMRZLGVDQJRWQA-AXTRIDKLSA-N	303.200	1.192	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2nc(C)n3ccccc23)cc1	1116115883	GIXFUGPXDLQNCA-UHFFFAOYSA-N	324.340	1.726	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=S)NCc1ccon1	764455352	RCNKLAXKYPJWKD-UHFFFAOYSA-N	305.363	1.684	50	20	DDGD	
Cn1c(=NNC(=O)C2SCCS2)sc2ccccc21	760208432	CQIAILXSINVHMN-UHFFFAOYSA-N	311.457	1.978	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(O)c(F)c2)cc1	1116609813	LDXVKKSFOLSJPL-UHFFFAOYSA-N	304.277	1.615	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc(O)c(F)c1	768057267	VWPVUNYSNBBOJY-UHFFFAOYSA-N	304.277	1.615	50	20	DDGD	
COC(=O)c1cc(NC(=O)NN(C)C(=O)OC)c(F)cc1F	878245659	GWDFIXNDAWHPSU-UHFFFAOYSA-N	317.248	1.486	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCOc1ccc2c(c1)CCC2	1119110022	FPVWEPNEMSVXEP-UHFFFAOYSA-N	307.350	1.467	50	20	DDGD	
O=C(NNc1ncccc1Cl)c1cn(C2CCOCC2)nn1	1117674899	ARUSAPBFNRFTEY-UHFFFAOYSA-N	322.756	1.435	50	20	DDGD	
C#CCO[C@H](C)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874953528	GPDDWRWFGVGBEM-LLVKDONJSA-N	320.418	1.109	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@H](C)c1cccc(F)c1	772138394	WOJIFCVYNBQURP-WDEREUQCSA-N	324.352	1.808	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc(F)c2cccnc12	872402176	UTFLCUBNVRUBAC-UHFFFAOYSA-N	305.309	1.487	50	20	DDGD	
CN(C)S(=O)(=O)CCC(=O)NNc1cc(Cl)ccc1F	871271263	JCGWAWPBNBIAIU-UHFFFAOYSA-N	323.777	1.204	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H](O)Cc2ccccc2Cl)n1	772133682	NDJHNPOUZWRGIB-NSHDSACASA-N	322.752	1.185	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Nc1ccc2c(c1)OCO2)n1cccc1	1116947491	LCSUUIOQLNPDQD-JTQLQIEISA-N	316.317	1.631	50	20	DDGD	
COCC1(C(=O)NNC(=O)CSc2ccc(C)cc2)CC1	778538834	RPYUZCAQHGXWCA-UHFFFAOYSA-N	308.403	1.661	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc([C@H](C)C(=O)OC)cc1	879892475	XTBCOFDLHQDZGP-NSHDSACASA-N	309.366	1.578	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc(CCN(C)C)cc1	1118373628	RLMXGCOZJGRNQG-UHFFFAOYSA-N	308.451	1.308	50	20	DDGD	
CCOC(=O)c1ncc(C(=O)NNc2cc(C)ncn2)s1	1117373118	ACKMQEKTMGAKQY-UHFFFAOYSA-N	307.335	1.175	50	20	DDGD	
CCN1CCC[C@H](CNC(=O)NNC(=O)c2ccccc2)C1	1116229903	PVBOSEWDNUHXAY-CYBMUJFWSA-N	304.394	1.363	50	20	DDGD	
CC(C)(C)[C@H](O)C(=O)NNC(=O)c1cncn1-c1ccccc1	1116416504	PTQWQXZKCLTDNT-CYBMUJFWSA-N	316.361	1.040	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=C1CCc2cccc(C(=O)O)c21	872384323	PAQDIQCYBNMCSZ-KOLCDFICSA-N	302.330	1.576	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1cc(C#N)ccc1Cl	775252222	QRLGUDNJFYLCHU-UHFFFAOYSA-N	315.782	1.567	50	20	DDGD	
C#CCCCC(=O)NNC(=O)/C=C/c1ccc(OC)c(OC)c1	887139635	XDQTUHZAGRLSEQ-PKNBQFBNSA-N	316.357	1.668	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN[C@](C)(CO)C1CCCCC1	772778308	SOVMHJIUTKTXEH-MRXNPFEDSA-N	313.442	1.101	50	20	DDGD	
O=C(COc1ccc(Cl)cc1)NNC(=O)Nc1ccncn1	770766144	VJJABJADCBFRLP-UHFFFAOYSA-N	321.724	1.362	50	20	DDGD	
CC(C)C(=O)NNC(=O)Cc1cc(F)ccc1Br	771227798	OSPOZCVXCUTAMP-UHFFFAOYSA-N	317.158	1.934	50	20	DDGD	
CCNC(=O)CC(=O)NNc1ccc(OC(F)(F)F)cc1	780991778	GILHXOOUGNBNOC-UHFFFAOYSA-N	305.256	1.555	50	20	DDGD	
O=C(NNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccccc1O	788266514	WNMQFJHWLGDUEA-UHFFFAOYSA-N	317.257	1.081	50	20	DDGD	
CC(C)N1CCC(NC(=O)NNc2ccc(C#N)cn2)CC1	887613266	WTVFVBZQJZXTLV-UHFFFAOYSA-N	302.382	1.452	50	20	DDGD	
N#C/C(=C\c1ccccc1)C(=O)OCC(=O)NC1(C#N)CCC1	785351063	TUUQZVLMTOJYAL-NTEUORMPSA-N	309.325	1.699	50	20	DDGD	
COc1cccc(NNC(=O)COc2cccc(C=O)c2)n1	781027573	XIYSPNFJTFTEAZ-UHFFFAOYSA-N	301.302	1.425	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@H](O)c1ccccc1Cl	781819266	ANOHHCDHVVHHCB-SNVBAGLBSA-N	313.144	1.960	50	20	DDGD	
CCCOc1ccc(CNC(=O)NNC(=O)COCC)c(C)c1	788870414	PCFQWBHIELIGPF-UHFFFAOYSA-N	323.393	1.651	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1ccc(F)cc1[N+](=O)[O-]	781829066	HNVWRPCDQBCZJQ-UHFFFAOYSA-N	311.660	1.934	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@H]1CCC(=O)c2cccn21	788742459	MHWHWLHWLXEUSK-GFCCVEGCSA-N	316.317	1.129	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)C2CCOCC2)c(C(C)C)n1	894102803	ALIMBCZTTYLRQA-UHFFFAOYSA-N	306.366	1.096	50	20	DDGD	
CCc1onc(C)c1NC(=O)C(=O)NNc1cccc(OC)n1	784842884	APCHKOJUKRWODL-UHFFFAOYSA-N	319.321	1.031	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)[C@H]1COc2ccc(O)cc2O1	896032690	GZULTWOOFYYSMW-CQSZACIVSA-N	320.345	1.260	50	20	DDGD	
CC(C)[C@H](F)C(=O)NNC(=O)Cc1nc2ccccc2n1C	784142286	IFHXDTKBPFCMBF-AWEZNQCLSA-N	306.341	1.257	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)N[C@H]1CCCC(C)(C)C1	785908431	HMMYWHXVYDEMEN-RYUDHWBXSA-N	315.414	1.337	50	20	DDGD	
CCc1ncsc1NC(=O)C(=O)NN(C)c1ccccc1	783433301	NMSHRDIERHWRDX-UHFFFAOYSA-N	304.375	1.812	50	20	DDGD	
O=S(=O)(CBr)NCCCOCC(F)(F)F	782412425	WUDRIUZDMABKQO-UHFFFAOYSA-N	314.123	1.227	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)Nc2cccc3c2CCO3)n1	797672055	XZIRTJDWEWBMOZ-UHFFFAOYSA-N	320.740	1.796	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCSCC[C@H]2C)c1	794571244	XAMPSALLQYUDAR-CYBMUJFWSA-N	321.446	1.583	50	20	DDGD	
O=C(NNc1ccccn1)C1CCC(NC(=O)C2CC2)CC1	793779609	NKUSKYKBWNCMBF-UHFFFAOYSA-N	302.378	1.610	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCn2cccn2)c2ccccc2n1	799007042	PGZOSFSRCWHCLX-UHFFFAOYSA-N	323.356	1.591	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCCOCC1CCOCC1	791026982	UKIYZOQSDHAWME-UHFFFAOYSA-N	322.409	1.849	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cc(F)ccc1-n1cccn1	793029545	VOUPKUSWMVXILI-UHFFFAOYSA-N	316.336	1.963	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2csc3nccn23)n1	794090222	OXEDPYRUKAUOBW-UHFFFAOYSA-N	315.358	1.103	50	20	DDGD	
CCn1ncnc1CNC(=O)NNC(=O)c1cccc(Cl)c1	793273132	PTIOVTRSKHUOAV-UHFFFAOYSA-N	322.756	1.096	50	20	DDGD	
C=C[C@H](NNC(=O)[C@@H](C)Oc1cccc(Cl)c1)C(=O)OC	799980863	QJFFUKZWIPMYJR-SKDRFNHKSA-N	312.753	1.456	50	20	DDGD	
CCc1c(C(=O)NNc2cccc(F)c2[N+](=O)[O-])cnn1C	790586490	ZGTXJLHOXWEPKU-UHFFFAOYSA-N	307.285	1.787	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc2ccc(OC)cc2[nH]1	798304635	DNNDAWOLPRMQBU-UHFFFAOYSA-N	304.375	1.471	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCCOc3ccccc32)CC1	790175420	YYNBIJPZOLRKDO-UHFFFAOYSA-N	302.378	1.520	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cnn(Cc2ccc(OC)cc2)c1	794390334	VJYLQBPRXPMZAM-UHFFFAOYSA-N	317.349	1.503	50	20	DDGD	
O=S(=O)(CBr)N1CCC[C@H](OC2CCC2)C1	691830874	OBYOEADRPPLQIY-JTQLQIEISA-N	312.229	1.702	50	20	DDGD	
CCOC(=O)C(F)(F)[C@H]1CCCC(=NNC(=O)C(=O)OC)C1	1319541472	PLQAOPAERWFBIL-QMMMGPOBSA-N	320.292	1.020	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2c(F)cccc2F)n1	1319375319	DWFMHSFSKCDGEM-UHFFFAOYSA-N	306.272	1.476	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccnc1)c1ccc(F)cc1F	1318751499	FAJVOZAPZOBPQQ-SECBINFHSA-N	305.284	1.925	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1cc(C(C)(C)C)ccc1C	1317701001	YFENVHSNTZVYHY-UHFFFAOYSA-N	300.380	1.842	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1c[nH]cc(Cl)c1=O	1320662830	VSOMOBBIALJUJM-UHFFFAOYSA-N	308.681	1.693	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)Nc1nccs1	1320991896	JFJNTCTUHCFBEA-UHFFFAOYSA-N	306.351	1.212	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H]1CC12CCSCC2	1324721747	RZEMWUNULYBDPW-VIFPVBQESA-N	319.521	1.378	50	20	DDGD	
COC1(C(=O)NNc2cncc(Br)c2)CCC1	1320102408	WLDFXBLUWZNKNH-UHFFFAOYSA-N	300.156	1.856	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@](C)(CO)C1	1324352336	GROYKJHPGZUGIE-HNNXBMFYSA-N	313.829	1.973	50	20	DDGD	
CC(C)CN1CCC[C@@H]1C(=O)NNC(=O)NCc1ccco1	1335740272	QFFLWMKWQIIASR-CYBMUJFWSA-N	308.382	1.230	50	20	DDGD	
CS(=O)(=O)CCOCCNC(=O)c1cccc(CCl)c1	1335802740	YVGQCGUOHSNKST-UHFFFAOYSA-N	319.810	1.216	50	20	DDGD	
N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NNC(=O)c1cn[nH]c1	1334929551	DUAPUFHIQZAKKI-AWEZNQCLSA-N	324.344	1.303	50	20	DDGD	
C=CCCn1cc(C=NNC(=O)CCN2CCC(C)CC2)nn1	1333686773	DAEQKBJJYOQYRD-UHFFFAOYSA-N	318.425	1.426	50	20	DDGD	
O=C(NNC(=O)[C@@]1(F)CCOC1)c1cc(-c2ccccc2)on1	1261216045	ARPCOFCOMQQVKU-OAHLLOKOSA-N	319.292	1.231	50	20	DDGD	
CSC[C@H](C)NC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1261766133	AQBPDGGFLDEEQI-DKCNOQQISA-N	323.256	1.144	50	20	DDGD	
COCC(=O)NCCC(=O)NNc1ccc(Cl)cc1F	1342542644	VMHAFFIMHBAQMN-UHFFFAOYSA-N	303.721	1.075	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2ccc3nc(O)sc3c2)CC1	1423844030	LCULEHZSJGUTIY-UHFFFAOYSA-N	321.383	1.846	50	20	DDGD	
C[C@H](Cc1ccccc1)C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1605437415	VLBYWFXRENCCER-LLVKDONJSA-N	323.360	1.584	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cc(C(=O)O)cnc1Cl	1603761614	MAAPGDKOZQJXRR-UHFFFAOYSA-N	314.729	1.632	50	20	DDGD	
Cc1nc(SCCC(=O)NNc2ccccc2C(=O)O)n[nH]1	1600799008	CYXLQVBIEDINLJ-UHFFFAOYSA-N	321.362	1.437	50	20	DDGD	
O=C(O)CCN(Cc1ccncc1)S(=O)(=O)CCCCl	1602008443	SKYIBCDBDDNDEP-UHFFFAOYSA-N	320.798	1.317	50	20	DDGD	
Cn1cc(C=NNC(=O)c2c[nH]c3ccccc23)cc1C(=O)O	1600944898	GTBDPQSBJQKAIA-UHFFFAOYSA-N	310.313	1.969	50	20	DDGD	
CO[C@@H]1CCCC[C@@H]1C(=O)NNc1ccc(CC(=O)O)cc1	1606748965	XECWLELHMLCMSV-UONOGXRCSA-N	306.362	1.962	50	20	DDGD	
CC[C@H](C(=O)O)C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	1609886696	QWSXRUWOAVBPSP-ZETCQYMHSA-N	301.686	1.802	50	20	DDGD	
Cc1cccc(NNC(=O)NCCc2ccc(C(=O)O)cc2)n1	1600542703	XPTWPEVXWRLHSF-UHFFFAOYSA-N	314.345	1.957	50	20	DDGD	
COCC[C@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)C(=O)O	1610254110	DZTOTQNGWKJFHG-ZWXCPPHNSA-N	306.293	1.339	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNc2ccc(C(=O)O)c(F)c2)C1	1610037887	HXFFMARKHKQMCD-AOOOYVTPSA-N	311.313	1.718	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1C[C@@H](C(=O)O)C[C@@H](O)C1	1610619217	SGZFJEZIRJRJHF-AHECMASJSA-N	318.304	1.027	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCC2(CCCN(C(=O)CN)C2)CC1	1809674183	RNIARWWZJDYIFJ-LBPRGKRZSA-N	315.845	1.194	50	20	DDGD	
COc1ccc(F)cc1C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549322384	YRMDRRMVEZHMAU-ZFWWWQNUSA-N	321.352	1.148	50	20	DDGD	
CCn1nccc1[C@@H]1OCCC[C@@H]1C=NNC(=O)[C@@H]1CCCO1	1552455570	ZJYSPRMEXCDHSO-VHDGCEQUSA-N	320.393	1.652	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@H]2CCC[C@H]2N)cc1	1578183645	ZCIQSFBCOIPCHP-QWHCGFSZSA-N	322.434	1.530	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@@H]2CCCCN2)c1	1573864204	WTPRIGBBCASQGR-ZDUSSCGKSA-N	305.382	1.365	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccc2n1CCN[C@H]2C	1575871182	ASUWZZJLDVSCNJ-NSHDSACASA-N	314.393	1.823	50	20	DDGD	
CC1(C)[C@@H](N)C[C@@H]1C(=O)NNC(=O)Cc1ccc(Cl)cc1	1576371159	JTUDNRFVOJNXJV-NEPJUHHUSA-N	309.797	1.403	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H]1CNCCC12CCC2	1579805697	YLKDOSKHVHTKEN-CYBMUJFWSA-N	316.405	1.928	50	20	DDGD	
O=C(NNC(=O)[C@@H]1NCC[C@@H]2CCCC[C@H]21)c1cccc(F)n1	1580736612	ZIUQDCQMJGWIMU-MISXGVKJSA-N	320.368	1.150	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1CNC(=O)NNc1cccc(-c2nn[nH]n2)c1	1589762999	HIRSHFBIGLSVEB-AAEUAGOBSA-N	315.381	1.785	50	20	DDGD	
NC[C@@H](NC(=O)NNc1cc(Cl)nc2ncccc12)C1CC1	1580222527	WNEIUDBIWRLSAT-LLVKDONJSA-N	320.784	1.647	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1ccc2c(c1)OCCNC2	1580739454	FTWZPUHSUBHDPI-UHFFFAOYSA-N	318.764	1.974	50	20	DDGD	
Cc1nc(Cl)ccc1C(=O)NNc1ncccc1C(=O)O	1594453311	NPDPTJMXTPASNS-UHFFFAOYSA-N	306.709	1.894	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2cc(O)nc3ncccc23)cc1	1595220844	JYSOKBZGPNMJHF-UHFFFAOYSA-N	324.296	1.791	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNc1cccc(C(=O)O)c1	1596512778	UHZMVHPBILRZBG-UHFFFAOYSA-N	308.334	1.807	50	20	DDGD	
C[C@H]1CC[C@H](C)N1CC(=O)NNc1ccc(C(=O)O)c(F)c1	1594303577	XYHGXNOUZIMYOO-UWVGGRQHSA-N	309.341	1.840	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc(-c2nn[nH]n2)s1	1590648988	FYLMIZFTNLTDTL-TWGQIWQCSA-N	309.376	1.617	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](CC(=O)O)c1ccc(F)cc1	1596863720	RZYGOAOJEFYPEZ-FUWURINLSA-N	306.293	1.902	50	20	DDGD	
Cc1ccccc1NC(=O)NN=Cc1cc(C(=O)O)nn1C	1776035675	WMSUAIDPRCDFJK-UHFFFAOYSA-N	301.306	1.582	50	20	DDGD	
COc1ccc(C(=O)O)cc1C=NNC(=O)c1cccc(F)n1	1776093951	UBHGMKQPMLVUEJ-UHFFFAOYSA-N	317.276	1.691	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1ccc(/C=C\C(=O)O)cc1	1777033795	SEJAGCUHQBDZOH-XTYDYKDCSA-N	306.343	1.540	50	20	DDGD	
CC(C)C(=O)NN=Cc1cn(C2CCOCC2)nc1C(=O)O	1776025245	OCDCXLKOIQATOA-UHFFFAOYSA-N	308.338	1.039	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)c1ccccc1	14283169	LCBHDLPRRKJBLK-XHDPSFHLSA-N	312.325	1.676	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1ccc(C#N)cc1F	158141237	CJSXHCBTSMSZNT-UHFFFAOYSA-N	313.354	1.443	50	20	DDGD	
O=S(=O)(CCCCCl)NCc1nnc2n1CCCCC2	153335241	JVQAHOMIJOCXEU-UHFFFAOYSA-N	320.846	1.443	50	20	DDGD	
CCOCCC1(C(=O)NNC(=O)c2cnn(C)c2)CCCC1	155366608	WJOYUNAXXSXBSK-UHFFFAOYSA-N	308.382	1.168	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O	179785967	IGMUNYCDARTWMG-UHFFFAOYSA-N	320.271	1.593	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)Cc2ccsc2)c1	28581690	WCFCBCUSBYGZAT-UHFFFAOYSA-N	303.387	1.818	50	20	DDGD	
C[C@H]1CCC[C@@H]1NC(=O)NNc1ccc(-n2cccn2)nn1	105311700	ARJRAJOAIPNOMY-QWRGUYRKSA-N	301.354	1.477	50	20	DDGD	
CC(=O)NNC(=O)CSc1nccn1-c1ccc(C)c(C)c1	25743607	BWIDACRRDZQRIB-UHFFFAOYSA-N	318.402	1.749	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccc2ccccc12)n1cncn1	172870115	PZHBMNKGJRAFOR-NSHDSACASA-N	309.329	1.454	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NC(C)C)cnn1-c1ccccc1	119540440	NKWREJFEYRFHPD-UHFFFAOYSA-N	301.350	1.533	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@H]1COc2ccccc2C1	171511341	JSIZONNCYGIOID-CQSZACIVSA-N	311.341	1.023	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C)o2)c(C)c1	129650956	AHMLRPKMCYJTAC-UHFFFAOYSA-N	315.329	1.605	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CC2CCC(OC)CC2)n1	118962940	UNLMXETXCWXIGZ-UHFFFAOYSA-N	308.382	1.832	50	20	DDGD	
CCn1cc(NC(=O)NNC(=O)c2cccc3cccnc23)cn1	64623459	NSHPVYAMPLTODP-UHFFFAOYSA-N	324.344	1.918	50	20	DDGD	
O=CNc1ccc(C(=O)NNc2ccccc2[N+](=O)[O-])cc1	72793725	QCBGZHPHYDEKQZ-UHFFFAOYSA-N	300.274	1.920	50	20	DDGD	
CCn1cc(NC(=O)C(=O)NNc2cccc(Cl)c2)cn1	120216807	KOIPNYWCXPNLJU-UHFFFAOYSA-N	307.741	1.638	50	20	DDGD	
C#C[C@H](C)NC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	186026123	FSWZPRRPSGFBOO-GVMDUPDNSA-N	303.406	1.945	50	20	DDGD	
Cc1cccc(C)c1NC(=O)C(=O)NNC(=O)CC(C)(C)C	126161148	NSXKQGBWFHVBDM-UHFFFAOYSA-N	305.378	1.826	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1Cc2cc(C)c(C)cc2O1	75564619	VZBRULOADBLFNP-ZDUSSCGKSA-N	305.403	1.288	50	20	DDGD	
O=C1CSc2ccc(C(=O)NNc3ccncc3)cc2N1	180510483	WMEOOBURUPQPIG-UHFFFAOYSA-N	300.343	1.883	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)C(=O)Nc1cccnc1Cl	125839743	UNCBXKGPUIVYNJ-UHFFFAOYSA-N	324.768	1.401	50	20	DDGD	
O=C(NNc1ccc(F)cc1)c1sccc1-n1cnnn1	70859566	VWSYLMCGZZWFCP-UHFFFAOYSA-N	304.310	1.620	50	20	DDGD	
Cn1nnc2cc(C(=O)NNc3ccc([N+](=O)[O-])cc3)cnc21	183407287	HUMTVHCMGWSDIU-UHFFFAOYSA-N	313.277	1.028	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1c(F)cc(F)cc1F	186252020	VUUFYKFXRCWIPC-UHFFFAOYSA-N	312.251	1.909	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CC(=O)NCC(F)(F)F)c1	182146976	FIVRMZDYURETPP-UHFFFAOYSA-N	323.246	1.346	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNc1nc2ccccc2c(=O)[nH]1	137187678	MZQKEHDMUCFOJL-ZDUSSCGKSA-N	315.377	1.241	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](C)COCC(F)(F)F)o1	84154968	PSNCFPUENBSRCQ-SSDOTTSWSA-N	323.271	1.499	50	20	DDGD	
CCCCc1ccc(N2C[C@H](C(=O)NNC(C)=O)CC2=O)cc1	45130940	ZBJNPWPJUMSUOQ-CQSZACIVSA-N	317.389	1.549	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccnc2N2CCCC2)o1	84374190	FMQDAFHESPCBOX-UHFFFAOYSA-N	314.345	1.658	50	20	DDGD	
CCOCCCC(=O)NNC(=O)COc1cc(C)ccc1C	47045843	RKOVKVMBCWVCSZ-UHFFFAOYSA-N	308.378	1.646	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)Cc2cccc(F)c2F)n1	133976166	HSPCOOWHCPDAAT-UHFFFAOYSA-N	313.695	1.676	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(Br)c[nH]1	131756146	DIQVHRLSOGVVHD-UHFFFAOYSA-N	312.127	1.333	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)C[C@H]2CCCOC2)cc1	194530154	SRKVOKVVTUZXIO-GFCCVEGCSA-N	320.393	1.722	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)/C=C/CN(C)C)c1C	264588364	AALYQZITPVUWRR-DNGMOHDESA-N	319.405	1.336	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)N[C@H]1CC=CCC1	265602770	XHZFWSIMDIWKPB-LBPRGKRZSA-N	319.361	1.513	50	20	DDGD	
CC(C)n1ccc(C(=O)NNC(=O)Cc2ccc(F)cc2)n1	265056574	SKEXKGRTBOOKBP-UHFFFAOYSA-N	304.325	1.607	50	20	DDGD	
CCO[C@H]1C[C@H](NC(=O)NNc2ncccn2)C12CCCC2	266838159	WBIPPDITTVVXFS-RYUDHWBXSA-N	305.382	1.841	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C[C@@H]2CSCCS2)n1	269764257	LCGCGMFAFDLFPB-SECBINFHSA-N	314.436	1.475	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NNc1cnccn1	266933887	NJESYVCQLZCSQP-JTQLQIEISA-N	307.354	1.319	50	20	DDGD	
CCCc1nnc(S)n1CC(=O)NNC(=O)CC(C)(C)C	264006906	DCXGNEUFQMHXHW-UHFFFAOYSA-N	313.427	1.103	50	20	DDGD	
COCCC1(CNC(=O)NNC(=O)c2ccccc2F)CC1	269024712	GUUJCELDJPVCQR-UHFFFAOYSA-N	309.341	1.586	50	20	DDGD	
COC[C@@H](C)CNC(=O)NNC(=O)COc1cc(C)cc(C)c1	265583501	RNEDFMVPENEIGO-ZDUSSCGKSA-N	323.393	1.295	50	20	DDGD	
C[C@H](CNC(=O)NN(C)c1ccccc1)CN1CCN(C)CC1	267898698	JDBNBYDKQKPRMD-OAHLLOKOSA-N	319.453	1.221	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2CCCc3nn(C)cc32)n1	367006158	YYADRKVSFZGRNG-NSHDSACASA-N	313.361	1.005	50	20	DDGD	
CCOc1ccc(CNS(=O)(=O)CBr)cc1	272761900	CQIQCMQESGSWMM-UHFFFAOYSA-N	308.197	1.857	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H]1CCCN1Cc1ccccc1	271464659	XOALVROJMFNIML-CQSZACIVSA-N	304.394	1.344	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1cccc2[nH]ccc12	272426781	CGKLYRMDTKZVJK-JTQLQIEISA-N	320.349	1.372	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)C[C@@H]2CCCC(=O)N2)c1	368044760	UBKVWMZGHHVEFW-VIFPVBQESA-N	307.741	1.109	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccccc1CSC	274020219	AIMISYXYXGVPQB-SNVBAGLBSA-N	323.418	1.682	50	20	DDGD	
COCC1(O)CCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)CC1	270366681	LRKZVXCLEQTJEI-PJQLUOCWSA-N	317.345	1.933	50	20	DDGD	
CCc1n[nH]c(C(=O)NNC(=O)C2CCC2)c1Br	279002259	JUYUZKTYXCOXHM-UHFFFAOYSA-N	315.171	1.296	50	20	DDGD	
COC(=O)NNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C	274192322	GGXNHYPHMMRQKR-QMMMGPOBSA-N	321.399	1.020	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C	369789356	IBBNNSKZLCHRDJ-RTXFEEFZSA-N	311.426	1.957	50	20	DDGD	
NC(=O)CCCC(=O)NNc1cccc(Br)c1	279760787	DVVCAONADPVNOY-UHFFFAOYSA-N	300.156	1.548	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CC(C)C)cnn1-c1ccccc1	279005763	SBNQLAVOLSIBLW-UHFFFAOYSA-N	300.362	1.988	50	20	DDGD	
C=CCNC(=O)c1ccc(NC(=O)NNC(=O)C2CC2)cc1	273192753	JLIDNCNHZWLNSN-UHFFFAOYSA-N	302.334	1.165	50	20	DDGD	
C[C@@H]1CSC(SCC(=O)NNC(=O)c2ccccc2)=N1	270397426	JDLBTCHRQGGUNB-SECBINFHSA-N	309.416	1.672	50	20	DDGD	
CCn1nc(NC(=O)NNC(=O)c2cc(C)n[nH]2)cc1C1CC1	273484318	VJRMQSRIKHRNSB-UHFFFAOYSA-N	317.353	1.278	50	20	DDGD	
C[C@@H]1CCCC[C@H]1NC(=O)NNc1ccc(-n2ccnc2)nn1	286540489	VPTKZTVXINFRLJ-VXGBXAGGSA-N	315.381	1.867	50	20	DDGD	
O=C(NCc1noc2c1CCCC2)NNc1ccc(Cl)nn1	288188247	QPEBMVPIHKPUND-UHFFFAOYSA-N	322.756	1.823	50	20	DDGD	
O=C(NC[C@H]1CCCC(F)(F)C1)NNC(=O)c1ccc[nH]1	283808057	OKEVUMGLPJHDDD-VIFPVBQESA-N	300.309	1.784	50	20	DDGD	
Cn1ncc2c1CCC[C@@H]2NC(=O)NNc1cccc(F)n1	286580737	JSYOJMNXMZSZHT-JTQLQIEISA-N	304.329	1.658	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H]1C[C@H](c2ccccc2)OC1=O	289428669	VJLRPVWWQJVGGQ-CHWSQXEVSA-N	304.346	1.484	50	20	DDGD	
Cn1ncc2c1C[C@H](C(=O)NNc1cc(Cl)ccn1)CC2	282495302	WHUSVPZCHNHBKK-SECBINFHSA-N	305.769	1.717	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cn2ccc(Br)cc2n1	285186854	QNSAZPDJQVBPNR-UHFFFAOYSA-N	323.150	1.268	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccccc2F)c(=O)cc1C	288278107	SGQKPAGRFGLMMP-UHFFFAOYSA-N	319.336	1.699	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)NCC(F)(F)F)c1ccccc1	281228318	MSXDFCLGKUEUDC-SECBINFHSA-N	305.256	1.267	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)CCO)c1C	298287709	FYGSNESUOYHYSH-XNTDXEJSSA-N	305.378	1.109	50	20	DDGD	
CCONC(=O)NNC(=O)Nc1cc(OC)ccc1Cl	296159760	KJGVVJIYSRKXRS-UHFFFAOYSA-N	302.718	1.636	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1nc(Cl)ccc1F	802036313	ULVFIWJFTNFFAP-UHFFFAOYSA-N	309.688	1.158	50	20	DDGD	
C[C@](O)(CSc1cccc(F)c1)C(=O)NNc1cccnn1	803097977	FGDJZSGCPHIBPZ-AWEZNQCLSA-N	322.365	1.602	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)c1c[nH]c2ccccc12)C1CC1	290924021	IAFORUIJFWMDDP-INIZCTEOSA-N	301.346	1.744	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)[C@@H]1CC=CCC1	292343828	PKEBEWYVRXJKNE-GFCCVEGCSA-N	323.418	1.736	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H]2CCC(=O)C[C@H]2C)cc1	802062001	BNBPOMFGMUNHNS-YGRLFVJLSA-N	319.361	1.853	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NOCC1CC1	297510346	WDHCGLWEWSYLRP-SECBINFHSA-N	311.313	1.265	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1cccc(N2CCCC2)c1	292569037	IRJXQIYUEYVTFC-AWEZNQCLSA-N	318.377	1.619	50	20	DDGD	
O=C(COCc1ccccn1)NNC(=O)c1c[nH]c2ccccc12	805156124	IHAAOISLIBTBQE-UHFFFAOYSA-N	324.340	1.541	50	20	DDGD	
Cc1cn(-c2ccc(F)cc2)nc1C(=O)NNC(=O)C1CC1	801082323	OXFYZALIHMYRJU-UHFFFAOYSA-N	302.309	1.491	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1ccc([N+](=O)[O-])[nH]1	803430581	GQBONOMXDDQCNH-UHFFFAOYSA-N	313.273	1.521	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C2CCC(O)CC2)cc1	802065387	YGUWZIFLQFTWSJ-UHFFFAOYSA-N	307.350	1.399	50	20	DDGD	
C=C(C)C(C)(C)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1	819012154	CAIRUBIOPZGGPF-UHFFFAOYSA-N	314.349	1.026	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)NOC/C=C/Cl	811983134	JBHHLVXOMAZQDF-QPJJXVBHSA-N	319.770	1.400	50	20	DDGD	
Cc1cn2ccnc(C(=O)NNc3cccc(Cl)n3)c2n1	817004549	GQASHQQJUGBWKN-UHFFFAOYSA-N	302.725	1.843	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1cnc(-c2ccccc2)nc1	814955600	NVQVDPBEGZEPAS-UHFFFAOYSA-N	306.329	1.560	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1cccc(Cl)n1)C(F)(F)F	814300675	LKHABDXLRSCDNX-LURJTMIESA-N	312.679	1.938	50	20	DDGD	
COc1nccnc1NNC(=O)CCn1cnc2ccccc21	811073889	GVMURYVSKKMUGC-UHFFFAOYSA-N	312.333	1.368	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(CC)CCOc1ccccc1C	817284187	MDGYWZIJEDEFAS-AWEZNQCLSA-N	321.421	1.642	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)NC2CCCCC2)n1C	814721189	WDUDIUVXMXOBDI-UHFFFAOYSA-N	306.366	1.778	50	20	DDGD	
O=C(CCCc1nc(C2CC2)no1)NNc1ncncc1F	817078681	PDUSXIFAXLRYKZ-UHFFFAOYSA-N	306.301	1.342	50	20	DDGD	
Cc1ccc(C2(C(=O)NNC(=O)c3cnn(C)c3)CCC2)cc1	819297720	UPTASGFXSFFHHT-UHFFFAOYSA-N	312.373	1.611	50	20	DDGD	
Cc1cccc(C)c1OCCC(=O)NNC(=O)c1ccnnc1	817693425	LNQSLORPSBHGLI-UHFFFAOYSA-N	314.345	1.324	50	20	DDGD	
Cc1c[nH]nc1C=NNC(=O)CCCNC(=O)OC(C)(C)C	814890252	JSVXMAIOTYSGDD-UHFFFAOYSA-N	309.370	1.473	50	20	DDGD	
CSc1cccc(C(=O)NNC(=O)CC2CC2)c1[N+](=O)[O-]	819105096	XTIYUCMXLIKOLY-UHFFFAOYSA-N	309.347	1.878	50	20	DDGD	
CC(C)(C)n1cnc(C(=O)NNC(=O)CCc2ccccc2)n1	812490399	FWZVJXPSRWNIDS-UHFFFAOYSA-N	315.377	1.427	50	20	DDGD	
COCCC(COC)=NNC(=O)CNc1ccccc1OC	812222631	QVZVSXNQUFAAHH-UHFFFAOYSA-N	309.366	1.262	50	20	DDGD	
CC(C)c1cccc(O[C@H](C)C(=O)NNc2cnnn2C)c1	816769662	QURBYQMQQFRNMP-LLVKDONJSA-N	303.366	1.849	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1sccc1OC(F)F	729343864	GJTZUNLTTBLQSD-UHFFFAOYSA-N	305.306	1.704	50	20	DDGD	
C=CCOCC(=O)NNC(=O)c1cc2c(s1)CCCCC2	729302611	MFVJOBHKVPRBFH-UHFFFAOYSA-N	308.403	1.981	50	20	DDGD	
O=C(NNC(=O)/C(F)=C/C1CCCCC1)C(=O)N1CCCC1	825659274	WOEJXRWDKDPXED-BENRWUELSA-N	311.357	1.190	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNC(=O)c2c[nH]c3ccccc23)cc1	821544143	GNUVZDDOVXOTQU-UHFFFAOYSA-N	323.308	1.941	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cccc2c[nH]nc12	826446926	FRHUAOYRXFQDBD-UHFFFAOYSA-N	320.316	1.500	50	20	DDGD	
COCCC(Cc1cccc(F)c1)=NNC(=O)N1CCOCC1	729145867	ZOTHZGZZFQBZGW-UHFFFAOYSA-N	323.368	1.803	50	20	DDGD	
CC(C)OC(=O)/C(C#N)=C\c1ccc(F)c(-c2nn[nH]n2)c1	824305717	TYKBOBVZRVUEGV-YHYXMXQVSA-N	301.281	1.864	50	20	DDGD	
CC(=O)c1cccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1	824029135	FIWJSLOSKCELJO-UHFFFAOYSA-N	322.328	1.826	50	20	DDGD	
COc1ccnc(NNC(=O)Cc2c[nH]c3cc(C)ccc23)n1	726158971	LQFZFCXGYYRAHF-UHFFFAOYSA-N	311.345	1.961	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)[C@H]1CC1(F)F	820176501	KQQNOWZEHJXQAV-MRVPVSSYSA-N	305.375	1.441	50	20	DDGD	
CC(=O)CCc1ccc(O[C@@H](C)C(=O)NN(C)[C@@H](C)CO)cc1	823965699	SPFXUKCKEHXALF-JSGCOSHPSA-N	322.405	1.319	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCCS1	826446514	ONIVPZWOISRTJW-NSHDSACASA-N	304.379	1.596	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1csc(Cc2ccccc2F)n1	821217391	IOZHPAUKFPIHDW-SNVBAGLBSA-N	323.393	1.830	50	20	DDGD	
O=C(NNc1cnccn1)Nc1ccc(N2CCOC2=O)cc1	494467532	GLUWHZCJXMFWQS-UHFFFAOYSA-N	314.305	1.582	50	20	DDGD	
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NN(C)[C@H](C)CO	823934041	AJMMXTJDPQKTSL-DGCLKSJQSA-N	309.366	1.507	50	20	DDGD	
O=C(O)C1(CNC(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)CC1	823329539	QGHGMRIKQMXPAF-IGJMFERPSA-N	316.195	1.921	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@@H](O)c1cccc(C(F)(F)F)c1	823922204	JEUHONTWFZOIHA-KCJUWKMLSA-N	306.284	1.083	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)C[C@@H]1CC[C@H]2C[C@@H]12	825756152	JUPVUAQRGMGBKO-MELADBBJSA-N	302.374	1.908	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1cccc(C(=O)O)c1Cl	588616187	WKNFPOIUAASKHQ-TWGQIWQCSA-N	314.750	1.794	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1cccc(NC(=O)N(C)C)c1	490753700	LXKIPRYJXSBVPA-ACCUITESSA-N	316.361	1.840	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2C[C@@H]2C2CC2)o1	820202070	FGJWXZGXRWMEMP-RKDXNWHRSA-N	317.353	1.467	50	20	DDGD	
O=C(CCc1ccco1)NN=Cc1ccc(-c2nn[nH]n2)s1	822983281	OZSFSRPHAWHILT-UHFFFAOYSA-N	316.346	1.604	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn(C)c2)c(C(C)C)n1	826054148	ZLEMIXIVYPXVPB-UHFFFAOYSA-N	301.350	1.322	50	20	DDGD	
O=C(NNC(=O)[C@]1(c2ccccc2)CCCO1)C1CCOCC1	829557865	SIICFDIDEGAKKE-QGZVFWFLSA-N	318.373	1.266	50	20	DDGD	
CCCCCCC(=O)NNC(=O)CNC(=O)OC(C)(C)C	494640080	IGIXVCBEZSRMBO-UHFFFAOYSA-N	301.387	1.629	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)C1	491133264	OVSZZCLZUYOWJZ-YJELQAQCSA-N	302.305	1.800	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21)c1cc2c(s1)CCC2	905118366	RCZKPEHJJFVJFF-AQUOVQTQSA-N	304.371	1.223	50	20	DDGD	
CCCCCC(=O)NNC(=O)CCNC(=O)OC(C)(C)C	494972949	RHRJQNUWQRGBEL-UHFFFAOYSA-N	301.387	1.629	50	20	DDGD	
CCCCO[C@H]1C[C@H](NCC(=O)NNC(=O)C(C)C)C1(C)C	829681582	YRPSDNFBKVJFIV-STQMWFEESA-N	313.442	1.363	50	20	DDGD	
CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1cnn(C)c1C	823948499	PKBHWYWXRXFCRS-UHFFFAOYSA-N	324.348	1.063	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc([N+](=O)[O-])ccc1OCC	496131596	ZVNVYQBUOCFPQM-UHFFFAOYSA-N	312.282	1.776	50	20	DDGD	
COCC(C)=NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	495655753	WXCCJLAZPKEFOZ-GFCCVEGCSA-N	313.398	1.772	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)OC(C)(C)C)CCCC1	497096455	PYTGWQPCDMKKJY-UHFFFAOYSA-N	300.355	1.666	50	20	DDGD	
CCN(Cc1ccccc1C)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	827315141	NQVAAPFRNWLARJ-UKRRQHHQSA-N	319.405	1.983	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(F)cc(Br)c1F	823385027	ZWJDHLXJEPGBFJ-ZCFIWIBFSA-N	323.137	1.685	50	20	DDGD	
CN1C(=O)CCC[C@H]1C(=O)NNC(=O)CCCc1ccccc1	906540101	KLFUYRNMTAPGBU-AWEZNQCLSA-N	317.389	1.168	50	20	DDGD	
CCO[C@H]1CCCC(=NNC(=O)Cc2cc(O)nc(S)n2)C1	905431999	MIPVEBCBWIEUQK-NSHDSACASA-N	324.406	1.465	50	20	DDGD	
COC(=O)N1CCC[C@H](NC(=O)[C@]2(C)C[C@@H]2Br)C1	906511272	ULZUPYRXHWHOGX-HOTUBEGUSA-N	319.199	1.507	50	20	DDGD	
CCN(CCO)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1	823869932	SQPGETFFEFERQY-UHFFFAOYSA-N	321.255	1.573	50	20	DDGD	
Cc1ncc(/C=C/C(=O)NNc2nc3ccccn3n2)s1	492986844	RMUOAERKGLGFGI-AATRIKPKSA-N	300.347	1.651	50	20	DDGD	
CC(=O)N[C@@H]1CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1	491163689	XQNWTCLVDFSKCG-JEMSNHSXSA-N	301.321	1.470	50	20	DDGD	
CCN(CC)C[C@H](C)NC(=O)NNC(=O)c1ccccc1OC	731542419	CLVOBNGEJIZHBM-LBPRGKRZSA-N	322.409	1.370	50	20	DDGD	
CNC(=O)[C@]1(C)CCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)C1	491052734	WPWPGYJNZHJNOD-JZUUQJBKSA-N	315.348	1.717	50	20	DDGD	
CCCCn1ncc(NCc2ccccc2B(O)O)c1CC	585038192	VPVMVIXVEQBCMV-UHFFFAOYSA-N	301.199	1.538	50	20	DDGD	
CCc1nn(C)c(Cl)c1C=NNC(=O)Cn1nc(C)cc1C	734746224	FBQLVDWKMLXBSM-UHFFFAOYSA-N	322.800	1.600	50	20	DDGD	
C[C@H]1CCC[C@@]1(C)C(=O)OCC(=O)NNC(=O)c1cccs1	837933651	WROWJZXSPINKJA-ZUZCIYMTSA-N	324.402	1.879	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1cc(F)cc(Cl)c1	901966572	OHHMXZMEVBZOHI-UHFFFAOYSA-N	318.757	1.592	50	20	DDGD	
C[C@@H](NCc1cccc(B(O)O)c1)c1cccc(OC(F)F)c1	585016273	UYEFQFXSZYIJBD-LLVKDONJSA-N	321.132	1.819	50	20	DDGD	
N#C/C(=C\c1ccc(C(F)(F)F)[nH]1)S(=O)(=O)NC1CC1	905075594	WZWUJDYMQVQZLB-WEVVVXLNSA-N	305.281	1.980	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc(OC)c1	831057954	UICXZEPLUIXLIC-NOZJJQNGSA-N	323.349	1.282	50	20	DDGD	
CCS(=O)(=O)N[C@H](C)C(=O)NNc1ccc2ccccc2n1	831749606	CAOFVEQCYFOHCH-SNVBAGLBSA-N	322.390	1.006	50	20	DDGD	
OB(O)c1ccccc1CNCc1cc2c(s1)CCCC2	585022056	HXTCAQJRNJGDRW-UHFFFAOYSA-N	301.220	1.597	50	20	DDGD	
N#C/C(=C/c1ccn(-c2ccccc2)n1)S(=O)(=O)NC1CC1	588561553	IXEWIKCNXRICEN-GDNBJRDFSA-N	314.370	1.819	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1cnc2ccsc2c1	739413969	UCDOYWOIUGOOKU-UHFFFAOYSA-N	302.359	1.415	50	20	DDGD	
CCc1cc(CNC(=O)NNc2cccc([N+](=O)[O-])c2)n[nH]1	739018504	ATEMZMUXOLWTMV-UHFFFAOYSA-N	304.310	1.707	50	20	DDGD	
COCC1(CNC(=O)[C@@]2(C)C[C@@H]2Br)CCOCC1	908339949	HJQCOYZLSUZLMR-JQWIXIFHSA-N	320.227	1.719	50	20	DDGD	
CC[C@H](O)[C@@H](C)C(=O)NNC(=O)CCc1ccc(OC)cc1	908269661	IWXYIJAELVHUSS-RISCZKNCSA-N	308.378	1.182	50	20	DDGD	
CC[C@H]1CC[C@H](C)N1CC(=O)NNC(=O)c1ccc(C#N)cc1	839536294	NSPRPDPKXICOGB-WFASDCNBSA-N	314.389	1.582	50	20	DDGD	
CCOC(=O)CCCCOC(=O)/C(C#N)=C/c1cnn(C)c1	837973055	ZTABLZFMNOHGFX-MDWZMJQESA-N	305.334	1.604	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(Cl)c1	837312843	ICRCZCRJZQEGAD-SECBINFHSA-N	317.798	1.462	50	20	DDGD	
CCS(=O)(=O)CC(C)=NNC(=O)COc1ccc(F)cc1	733745867	CXEJCVBQEBURGR-UHFFFAOYSA-N	316.354	1.131	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cc(OC)cc(OC)c1	916354663	GYWKLZMAQXKBFD-UHFFFAOYSA-N	307.394	1.886	50	20	DDGD	
O=C(COc1ccccc1F)NN[C@@H](C(=O)O)c1cccnc1	833115088	WZFGLASLPDWXOI-CQSZACIVSA-N	319.292	1.046	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)N[C@@H]1C[C@@H]2CCCCN2C1=O	836690298	IFGXAZNFRUCXEX-WDEREUQCSA-N	323.784	1.515	50	20	DDGD	
CCn1ccnc1[C@@H](C)NC(=O)NNc1ccc(Cl)nn1	836628164	RIQQCUCEXPYBLU-MRVPVSSYSA-N	309.761	1.734	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@H](c1ccccc1)C1CC1	838600732	DPWBBXXIFLBJBE-CQSZACIVSA-N	305.378	1.547	50	20	DDGD	
Cc1ccc(C)c(C2=NO[C@@H](C(=O)NN(C)C[C@H](C)O)C2)c1	910184254	YOSXJNYZNQVOHY-SWLSCSKDSA-N	305.378	1.140	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NC[C@@]2(C)CCCO2)cc1	836354534	JBDMXGHHQPQCPR-OAHLLOKOSA-N	322.365	1.600	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNc2ccnc(N(C)C)n2)c1	740112414	HVDGMQQGVMOVTI-UHFFFAOYSA-N	315.377	1.682	50	20	DDGD	
CO[C@H](CS(=O)(=O)NCCCSC#N)C1CCCC1	917007358	MDEXPXNQPHWXRP-GFCCVEGCSA-N	306.453	1.715	50	20	DDGD	
C[C@@H]1CCCN(C[C@@H](C)NC(=O)NNC(=O)C2CCCC2)C1	919915403	UFUPTAKKPJNLCN-CHWSQXEVSA-N	310.442	1.627	50	20	DDGD	
C=C(C)CONC(=O)NNC(=O)COc1cc(C)ccc1C	845591236	VWMHFRGAUDJFJK-UHFFFAOYSA-N	307.350	1.520	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1COc2cc(OC)ccc21	749157892	HIVQLCJQQVZQTL-UHFFFAOYSA-N	305.378	1.640	50	20	DDGD	
Cc1c(NC(=O)NNc2cc(C(F)(F)F)ccn2)nnn1C	841792591	SYSZUHMYPKOAAP-UHFFFAOYSA-N	315.259	1.686	50	20	DDGD	
O=C(NCC[C@@H]1C[C@H]2C=C[C@H]1C2)NNC(=O)[C@H]1CCCCO1	847404311	XYMZIVPPEOTNSP-IGQOVBAYSA-N	307.394	1.488	50	20	DDGD	
COCCn1cc(C=NNC(=O)CCc2ccccc2O)cn1	743439794	MHQMYYALSQFMII-UHFFFAOYSA-N	316.361	1.318	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)C2CC3(CCC3)C2)C[C@@H](C)O1	844129283	NHAMYYBSRBHPTB-BETUJISGSA-N	323.437	1.213	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NN)c(OCC(F)(F)F)c1	841104720	YNVQRIFBHAQITQ-UHFFFAOYSA-N	307.228	1.410	50	20	DDGD	
Cc1nn(C)c2ncc(C=NNC(=O)[C@@H]3CCO[C@H]3C)cc12	842559656	WVMJRHXIRYSNNM-CMPLNLGQSA-N	301.350	1.152	50	20	DDGD	
CO[C@]1(C)CC(=NNC(=O)CNC(=O)c2cccs2)C1(C)C	746575510	IHPCHYAYUHBESI-OAHLLOKOSA-N	323.418	1.785	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCc1ccc2ccccc2c1O	910144864	OOUHPCVYFOZOAK-GFCCVEGCSA-N	302.374	1.822	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H]2CCCN3CCCC[C@H]23)nc1	848674598	GYQRIIGBYFTSRI-UONOGXRCSA-N	319.409	1.733	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNC(=O)CSc1ccc(C)cc1	915263491	RMVNLGGIGQAGOH-NSHDSACASA-N	323.418	1.149	50	20	DDGD	
CCN1CCCN(C(=O)/C(C#N)=C/c2cnn(C)c2)[C@@H](C)C1	910269358	FEPLCWMYMJSNOO-LIOBOASVSA-N	301.394	1.270	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H]1CCCC[C@@H]1CN	841951083	WCZQGQYMWYCOEG-YPMHNXCESA-N	320.393	1.157	50	20	DDGD	
COc1ccc(C(=O)NN=C[C@@H](OC)[C@H]2CCOC2)cc1OC	841605775	UWMIUMAECWZQHC-SWLSCSKDSA-N	322.361	1.471	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)CC(F)(F)F)N1CCCCC1	918124427	OUZPKDDMUAKXOR-SECBINFHSA-N	310.320	1.144	50	20	DDGD	
C[C@H]1CC[C@H](C)N1CC(=O)NNc1cc(O)nc2ncccc12	913992904	LGGFOFGTIXRVOO-QWRGUYRKSA-N	315.377	1.651	50	20	DDGD	
Cc1c(NNC(=O)NCC2=CCNCC2)cccc1[N+](=O)[O-]	841971996	SAJOLYNVCUXBLK-UHFFFAOYSA-N	305.338	1.449	50	20	DDGD	
CC[C@@H]1CN(C(=O)/C(C#N)=C\c2cnn(C)c2)[C@H](CC)CO1	846376156	SATAQRMSYMBPNI-CGHRZIEDSA-N	302.378	1.743	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1CCN(Cc2ccccc2)C1	847285460	LJZNKWQFUOALKR-CQSZACIVSA-N	318.446	1.190	50	20	DDGD	
CCC(=NNC(=O)Cc1ccccc1OC)c1cnn(C)c1	741806687	NPQXICVJIAOQEJ-UHFFFAOYSA-N	300.362	1.902	50	20	DDGD	
CC(C)CNC(=S)NNC(=O)CCCNC(=O)C(C)(C)C	849298551	IDSNMFWBFMQZBY-UHFFFAOYSA-N	316.471	1.080	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H](C)Cc2ccccn2)nc1	848671045	RSCAQQILFAIQAG-NSHDSACASA-N	301.350	1.743	50	20	DDGD	
CC[C@H](C)[C@H](C)NC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	745771416	AGTGSLPYQFXUTF-IUCAKERBSA-N	324.337	1.679	50	20	DDGD	
COC(=O)[C@H](C)CSCC(=O)NNC(=O)c1cccc(C)c1	742454651	QQADPZGJTKMODT-LLVKDONJSA-N	324.402	1.298	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccc2c(c1)CNCCO2	841333510	ZJKOHHCHXBJJTJ-UHFFFAOYSA-N	304.350	1.121	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccco1	741512282	KYWGUIIJSZLFDJ-VIFPVBQESA-N	303.274	1.753	50	20	DDGD	
NC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ccccc1F	841953336	OCMJIWMALJUXLF-GWCFXTLKSA-N	308.357	1.287	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccnc(C(F)(F)F)c1	843658353	UXXDMHGRHNOTMC-CBAPKCEASA-N	317.267	1.286	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCc1c[nH]c2ccccc12	843639661	JEYVIJFDZXJOSB-DGCLKSJQSA-N	315.373	1.673	50	20	DDGD	
Cc1ccc(CCC(=O)NNc2nccn(C)c2=O)cc1Cl	747938097	PKXYHDLOFKWPFG-UHFFFAOYSA-N	320.780	1.818	50	20	DDGD	
Cc1ccc(NNC(=O)Cn2c(=O)nc(O)c3ccccc32)cc1	849512414	DPDRYNGPHREMGU-UHFFFAOYSA-N	324.340	1.554	50	20	DDGD	
COCCCNC(=O)NN=Cc1cn(C)nc1-c1cccnc1	920831499	OEOMDTJCKGJVDV-UHFFFAOYSA-N	316.365	1.152	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCC2(C#N)CCC2)cc1	842197055	QLNKDEOSHJAMJI-UHFFFAOYSA-N	300.362	1.887	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc2c(c1)oc(=O)n2C	754917059	HWJZQKSAXXAIHS-UHFFFAOYSA-N	318.377	1.314	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncccn1)c1ccc([S@](C)=O)cc1	756728018	VUAKSTMLUMNOLR-STFLBKPXSA-N	319.390	1.601	50	20	DDGD	
Cn1cc(C(=O)NN=C[C@@H]2CCCO[C@H]2c2ccnn2C)cn1	853309563	RXFVPMUZQSTKMQ-SMDDNHRTSA-N	316.365	1.037	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cnccn2)c(C)c1	756320095	PUVMAWMPNQVMSQ-UHFFFAOYSA-N	301.306	1.260	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(C)nc3ccccc23)on1	753117011	XNEGPOOTZSKBJG-UHFFFAOYSA-N	310.313	1.914	50	20	DDGD	
O=C(NC[C@H]1CCCNC1=O)NNc1ccc(Cl)cc1F	922861945	YAZQQCCROBAZCD-MRVPVSSYSA-N	314.748	1.631	50	20	DDGD	
CCOc1ccc(NNC(=O)c2cn(CCOC)nn2)cc1	857512389	NJECVMLHOJHKLP-UHFFFAOYSA-N	305.338	1.080	50	20	DDGD	
C[C@@H]1CN(C(=O)NC[C@]2(C)C[C@H]2Br)CC[C@@H]1N	857105741	QYWDVKQTCVMZGV-KLBPJQLPSA-N	304.232	1.539	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cccc(CN(C)C)c1)C1CC1	855100597	FRTRJJYYTTXKQT-NSHDSACASA-N	320.462	1.656	50	20	DDGD	
CCN(CCC#N)S(=O)(=O)NC[C@@]1(C)C[C@@H]1Br	856752675	LCKWOJDXWFBFCO-VHSXEESVSA-N	324.244	1.230	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CC1CC(F)(F)C1	854388745	WEIWPGHWZVTDDR-UHFFFAOYSA-N	308.325	1.358	50	20	DDGD	
COC(=O)[C@]1(NC[C@H](CBr)C2CC2)CCOC1	859221961	RGIJVFDDEZJGFQ-JQWIXIFHSA-N	306.200	1.329	50	20	DDGD	
C=CCCC(C)=NNC(=O)Cc1csc(N2CCOCC2)n1	758105940	CARGOWBHAMPODW-UHFFFAOYSA-N	322.434	1.981	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NNC(=O)c1cccc(Cl)n1	857325618	DTELBXHWXRJEOE-AXFHLTTASA-N	324.812	1.757	50	20	DDGD	
CSc1cccc(C(=O)NNC(=S)N[C@H](C)C2CC2)n1	855094409	AYURRGNFHWXGOJ-MRVPVSSYSA-N	310.448	1.711	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(F)c(F)c1	853388133	CMZVYERMWXFNMT-DOMZBBRYSA-N	323.343	1.668	50	20	DDGD	
Cc1c(NNC(=O)c2ccc3nc[nH]c3n2)cccc1[N+](=O)[O-]	755573150	PLDLGPAGIIQFPC-UHFFFAOYSA-N	312.289	1.931	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C1(C(F)F)CCCC1	854285207	IVTVAOKDRISOTG-UHFFFAOYSA-N	323.409	1.686	50	20	DDGD	
C[C@@H]1CN(C(=O)NC[C@]2(C)C[C@@H]2Br)C[C@]1(C)CO	856961338	YDUWPCJRDALJFC-RSLMWUCJSA-N	319.243	1.820	50	20	DDGD	
CN(CC1=CCCOC1)C(=O)NNC(=O)c1cccc(C#N)c1	852056097	BZENPYPBOPFPLA-UHFFFAOYSA-N	314.345	1.191	50	20	DDGD	
C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NNc1cnnn1C	857271602	RIQOPBHQPLHNFK-JTQLQIEISA-N	301.350	1.214	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCN1CCc2ccccc21	926792453	NTJMBGPXYICGST-UHFFFAOYSA-N	304.394	1.426	50	20	DDGD	
CC1CC(CNC(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)C1	856957825	IEJFJQKWGZRORB-UHFFFAOYSA-N	322.321	1.291	50	20	DDGD	
O=C(Cc1cc(Cl)cc2c1OCC2)NN=c1cc[nH]cc1	756187712	QLIOSTHPCMBZTE-UHFFFAOYSA-N	303.749	1.778	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@@H](C)NC(=O)NNc1ncc(Cl)cn1	856915362	DAWROBOJVVUDCK-AMIZOPFISA-N	313.789	1.960	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)c2cccc(Cl)c2)ncn1	757048531	XGQXXTYLJLORCS-UHFFFAOYSA-N	319.752	1.583	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H](C)N1CCCCCC1)C1CC1	855101107	PQSLNAWYYQHGCU-RYUDHWBXSA-N	312.483	1.545	50	20	DDGD	
COc1ccccc1C[C@H](C)CC(=O)NNc1cnnn1C	857271785	ZCGYRWHUMPPMEU-NSHDSACASA-N	303.366	1.536	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)N[C@H]1C[C@H]2CCCCN2C1=O	852379439	PXTREBLOTYULFZ-MNOVXSKESA-N	323.784	1.515	50	20	DDGD	
CC[C@@H]1CN(C(=O)NC[C@]2(C)C[C@H]2Br)CC[C@@H]1N	857106053	YFNQYVZGJVFYSC-XZUYRWCXSA-N	318.259	1.929	50	20	DDGD	
COC(=O)N1CCC(C(=O)NNC(=O)c2ccccc2F)CC1	854181409	VMIPCRSBXWXFIE-UHFFFAOYSA-N	323.324	1.065	50	20	DDGD	
C[C@H](NNC(=O)[C@H]1CCN(CC(F)(F)F)C1)C(F)(F)F	862317690	LTPIWAZOAZTTRE-BQBZGAKWSA-N	307.238	1.442	50	20	DDGD	
O=C1CCc2cc(C(=O)NNc3cccnn3)c(F)cc2N1	768135162	PZUYEDPOMPOIKI-UHFFFAOYSA-N	301.281	1.257	50	20	DDGD	
Cc1ccc(C)c(-c2cc(C(=O)NNC(=O)c3cnc[nH]3)n[nH]2)c1	768265193	UURPSYAJOSUUKX-UHFFFAOYSA-N	324.344	1.491	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NC[C@]1(C)C[C@@H]1Br)C(C)C	862259154	ZGSXCZDAYIPOEO-UMNHJUIQSA-N	305.216	1.437	50	20	DDGD	
CC(C)[C@@H](CNCc1cccc(B(O)O)c1)C(=O)OC(C)(C)C	863889592	FEGMMGARZAGAMN-OAHLLOKOSA-N	321.226	1.070	50	20	DDGD	
O=C(NN=Cc1c[nH]c2cccc(F)c12)[C@H]1CCS(=O)(=O)C1	763359728	SKUYQPKEEMOWRJ-VIFPVBQESA-N	323.349	1.192	50	20	DDGD	
Cc1cc(=NNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cc[nH]1	862511644	WOTNXAVKPBDYRX-UHFFFAOYSA-N	318.337	1.067	50	20	DDGD	
COc1ccc2c(c1)CCCC2=NNC(=O)[C@@H]1CCC(=O)N1	863145222	HUXOAZDYXWMMBW-AWEZNQCLSA-N	301.346	1.130	50	20	DDGD	
CCc1nc([C@H](C)NS(=O)(=O)CC(C)(C)CCl)n[nH]1	867028162	NAJNIZOVUAXOLX-QMMMGPOBSA-N	308.835	1.613	50	20	DDGD	
Cc1cc(NC(=O)c2cccc(B(O)O)c2)ccc1N1CCCC1	863869998	WMRIEZLXXZDNNW-UHFFFAOYSA-N	324.189	1.527	50	20	DDGD	
COc1cc(C=NNC(=O)CN2CCCC2=O)ccc1Cl	863073052	SQJFARVESBKXGV-UHFFFAOYSA-N	309.753	1.421	50	20	DDGD	
CC1(F)CCN(C(=O)NNC(=O)COCc2ccccc2)CC1	868291318	HWZWTEUAHJVYOY-UHFFFAOYSA-N	323.368	1.768	50	20	DDGD	
Cc1cccc2sc(NNC(=O)NCC(=O)NC(C)C)nc12	867987662	NRDSGUZSOLBQKP-UHFFFAOYSA-N	321.406	1.755	50	20	DDGD	
CCCC(=O)N1CCC[C@@H](C(=O)NNc2cccc(C)n2)C1	862523664	KAXKOUMBIZDUOK-CYBMUJFWSA-N	304.394	1.872	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NNc1ncc(F)cn1	760911391	HSJSBNCOBVUUFL-QPUJVOFHSA-N	304.281	1.287	50	20	DDGD	
CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NNc1cccc(C#N)c1	766277544	UOGIRZDHGNPYCE-STQMWFEESA-N	301.350	1.099	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C[C@H](C)c2ccc(F)cc2)n[nH]1	869012117	GQUKZQKZVFBBLZ-JTQLQIEISA-N	318.352	1.741	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=C2CCC(c3ccc(O)cc3)CC2)N1	863150286	QUSQURFFZVAGOY-MHTVFEQDSA-N	315.373	1.801	50	20	DDGD	
Cc1cc(OC(=O)c2cccn3c(O)nnc23)ccc1[N+](=O)[O-]	766273916	DOJOZAKBLMCYMQ-UHFFFAOYSA-N	314.257	1.871	50	20	DDGD	
C[C@H](NNC(=O)c1ccnc(OCC(F)F)c1)C(F)(F)F	862315017	OSFWNZDGACAUGS-LURJTMIESA-N	313.226	1.911	50	20	DDGD	
CCOc1cccc(F)c1C=NNC(=O)N1CCN(C)CC1	872368775	PJKOLMNNUYLAMK-UHFFFAOYSA-N	308.357	1.515	50	20	DDGD	
COCCCN1CCC(NC(=O)NNc2cccc(C)n2)CC1	875216039	OEZJPLVZKIEOSZ-UHFFFAOYSA-N	321.425	1.517	50	20	DDGD	
COc1ccnc(NNC(=O)NC2(C(F)(F)F)CCC2)n1	879378719	XTMZTIXARFRYGH-UHFFFAOYSA-N	305.260	1.596	50	20	DDGD	
COc1c(C)cc(C(=O)NNc2nnc(C)c(O)n2)cc1C	774263703	QJRPGIHDQCMQIU-UHFFFAOYSA-N	303.322	1.268	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NCC(=O)N2CCOCC2)c(C)c1	776638432	WRKYCQJTKXHZCN-UHFFFAOYSA-N	320.393	1.097	50	20	DDGD	
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(F)cn1	874651159	KBIJZEUNSWDVSH-JTQLQIEISA-N	312.345	1.967	50	20	DDGD	
COCCCOCC(=O)NNc1ncccc1C(F)(F)F	776230644	KJXZSYVKORWIEF-UHFFFAOYSA-N	307.272	1.597	50	20	DDGD	
C[C@H](CBr)COC(=O)CCNC(=O)c1ccco1	770321370	BLOOQGDZLZQTIM-SECBINFHSA-N	318.167	1.974	50	20	DDGD	
COCCC1(CNC(=O)NN(C)C(=O)OC)CCCCC1	875510834	XJBFFBONRUBYKA-UHFFFAOYSA-N	301.387	1.886	50	20	DDGD	
C[C@H](C(=O)Nc1ccc(NC(=O)CCl)cc1)n1cncn1	1116433731	DGOAFEUHFLAAEL-SECBINFHSA-N	307.741	1.655	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NNc2nccnc2C(C)C)C1	772815431	LVDLTBRKHDCZIQ-LBPRGKRZSA-N	305.382	1.302	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CC[C@@H]1CCCO1	771997870	PMJSRIYUBBZKOV-RYUDHWBXSA-N	314.382	1.071	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN[C@H](C)C2CCOCC2)c1	775461219	USSGUFFVHOTTTO-CYBMUJFWSA-N	319.405	1.161	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CCCCCNC(C)=O	777827689	HQFNMQJXFFWAPV-UHFFFAOYSA-N	321.377	1.613	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(Cl)cc1F	771916380	ZWNIPLOWHIGXNW-ZETCQYMHSA-N	316.716	1.582	50	20	DDGD	
O=C1NCCN(S(=O)(=O)CCCCl)[C@H]1c1ccccc1	881847092	ZPLXHEAKFXDWMG-LBPRGKRZSA-N	316.810	1.118	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCc3cccnc32)cn1	885362153	VVRYZCDYTYEKQV-UJMHRVFCSA-N	307.357	1.916	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCC[C@@H](CF)C1	880237310	VCDWLGICRPEDIU-AWEZNQCLSA-N	321.396	1.366	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCC(C)CC1)c1nccnc1C	783513401	ABLXCQLALBOGOU-ZDUSSCGKSA-N	317.437	1.993	50	20	DDGD	
O=C(CO)NN=Cc1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1	781124985	PNIZFRNIMRLCEO-UHFFFAOYSA-N	302.378	1.320	50	20	DDGD	
C#CC[C@@H](CO)NS(=O)(=O)c1ccc(CCCCl)cc1	882342494	BXPAURXSUPJPGZ-ZDUSSCGKSA-N	315.822	1.521	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(F)cc1Cl)S(C)(=O)=O	885135755	MRFOKMBFKVWPET-UHFFFAOYSA-N	308.762	1.745	50	20	DDGD	
CCOC(=O)C1(CC(=O)NNC(=O)c2ccccc2)CCC1	788672510	AVXNNWKPXUVOGY-UHFFFAOYSA-N	304.346	1.571	50	20	DDGD	
COc1cccc(CNC(=O)NNc2ncncc2Cl)c1	780693986	WCOXZOLAUXXFGX-UHFFFAOYSA-N	307.741	1.965	50	20	DDGD	
COC(=O)c1cc(OC(=O)[C@@H]2CO[C@@H](C)C2)ccc1[N+](=O)[O-]	784111005	FGLWBSGUGCZIBG-IUCAKERBSA-N	309.274	1.712	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1CCOc2c(F)cccc21	785973579	GCHMRYDOISEMLL-NSHDSACASA-N	311.313	1.016	50	20	DDGD	
CCOCCC1(C(=O)NNC(=O)C2CCOCC2)CCCC1	894103759	PBHQPGMPKISVFJ-UHFFFAOYSA-N	312.410	1.547	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cnn(CC(C)C)c1CC	785860374	MPTWIESFTVYEHM-UHFFFAOYSA-N	310.402	1.799	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCC[C@H](C(N)=O)C2)c1	787253017	IUQWZLNQXVVMET-QWRGUYRKSA-N	319.361	1.208	50	20	DDGD	
CC(C)C(=O)NNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	781587694	RLYDNPCRBOPATN-UHFFFAOYSA-N	324.293	1.239	50	20	DDGD	
COC[C@@H](Cc1ccccc1)NS(=O)(=O)CBr	782464421	PKOUGOQHDVOLMX-LLVKDONJSA-N	322.224	1.516	50	20	DDGD	
CN(C)C(=O)[C@@H]1CCC[C@H](NS(=O)(=O)CCCCCl)C1	780777218	UGFGMIIQCVPYQA-NEPJUHHUSA-N	324.874	1.572	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1ccc(N2CCOCC2)nc1	781357723	UJHIJXAPYXWTTB-UHFFFAOYSA-N	317.324	1.209	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NN=Cc1cnc(N)nc1	781583833	JOVLHNCSZJOQJS-SECBINFHSA-N	303.297	1.116	50	20	DDGD	
CC(C)(C)n1cc(C=NNC(=O)COc2ccc(F)cc2)nn1	790150555	NXBODEYYBPWMKT-UHFFFAOYSA-N	319.340	1.701	50	20	DDGD	
CN(C[C@H](CBr)C1CC1)[C@H]1CCS(=O)(=O)C1	701838771	ROXNPYZDVFIBAQ-QWRGUYRKSA-N	310.257	1.526	50	20	DDGD	
COC(=O)c1ccc(S(=O)(=O)N2CC=C(C#N)CC2)c(F)c1	795157039	FEHAZZDVPXLFHR-UHFFFAOYSA-N	324.333	1.457	50	20	DDGD	
Cc1cc(NNC(=O)c2nnn(CC3CCCC3)c2C)ncn1	790724742	SABBFOGKQWFCKA-UHFFFAOYSA-N	315.381	1.632	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CCOCC(F)(F)C(F)(F)F	790533445	LPFBMWUROXEZLE-UHFFFAOYSA-N	321.246	1.330	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)c3cccn3C)cc2n1C	792854450	YJEKGAHERAYNMJ-UHFFFAOYSA-N	311.345	1.295	50	20	DDGD	
C[C@H](C[C@@H]1CCOC1)NC(=O)NNc1nc2ccccn2n1	790426217	YGHGNYMAWZRURP-MNOVXSKESA-N	304.354	1.171	50	20	DDGD	
O=C(C[C@H]1CCCOC1)NNC(=O)Cn1cnc2ccccc21	792805742	AILLDZXTSMYJOS-GFCCVEGCSA-N	316.361	1.000	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	796433023	CKXKFDJSAZXOCJ-UHFFFAOYSA-N	323.356	1.838	50	20	DDGD	
CCc1nnsc1C(=O)NNC(=O)Nc1ccccc1C	798312057	RHHWQAJABFETDI-UHFFFAOYSA-N	305.363	1.875	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)N=c1cc(C)[nH]cc1C	794256851	VIEAAKSUOCWBOZ-UHFFFAOYSA-N	324.381	1.062	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CSCc2cscn2)n1	794080475	SFPCROZKOXJWBO-UHFFFAOYSA-N	322.415	1.541	50	20	DDGD	
C=C[C@@H](NNC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)OC	799976653	URNOLKIOGWZVOA-DLUQRMLASA-N	306.406	1.941	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(-c2ccnn2C)ccc1C	799239007	RCFAYOLGLMWHIB-UHFFFAOYSA-N	301.350	1.958	50	20	DDGD	
O=S(=O)(N[C@H](CO)CC1CC1)c1ccc(CCCl)cc1	754816003	HBJQMORCWHBSCT-ZDUSSCGKSA-N	317.838	1.907	50	20	DDGD	
Cn1nnnc1C1CCN(C(=O)C2CCC(Cl)CC2)CC1	1347519458	FVQFQOCUFCCKOZ-UHFFFAOYSA-N	311.817	1.714	50	20	DDGD	
CNc1ccc([N+](=O)[O-])cc1C(=O)NNc1cc(C)nc(C)n1	1318622977	CKVIZKMIZKQVKH-UHFFFAOYSA-N	316.321	1.800	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CCC1=O	1319602079	XZDLNGIIHQDQBB-VHSXEESVSA-N	318.377	1.055	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1cc(C2CC2)no1	1322626797	UWWHCFMUTBGTND-UHFFFAOYSA-N	315.333	1.229	50	20	DDGD	
Cc1nnc(CNC(=O)NNc2cccc([N+](=O)[O-])c2C)o1	1251582152	ZRQXTCNSYGFXDV-UHFFFAOYSA-N	306.282	1.421	50	20	DDGD	
O=C(NNc1cccc(Cl)c1)[C@@H]1CCc2nnc(O)n2C1	1336906691	FEWYGFLKKPUNDQ-MRVPVSSYSA-N	307.741	1.343	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CC[C@]2(CCOC2=O)C1	1339417477	VBMBQOMVVUROAR-RNCFNFMXSA-N	318.211	1.962	50	20	DDGD	
Cc1ncc(C(=O)OC[C@@]2(C)C[C@H]2Br)c(N)n1	1345219803	KQIKVRQLOFMJEA-LDYMZIIASA-N	300.156	1.698	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNC(=S)NC(C)C)cc1O	1348502631	STKIOAGHRKWOTH-ALCCZGGFSA-N	309.391	1.318	50	20	DDGD	
Cn1ccc(NNC(=O)CCc2nc(-c3ccoc3)no2)n1	1344047481	CMRCJCJCJZIKCI-UHFFFAOYSA-N	302.294	1.139	50	20	DDGD	
CC(C)CN1CCC[C@@H]1C(=O)NNC(=O)Cc1ccccc1F	1262608125	XJBMNOJOOPXGKZ-OAHLLOKOSA-N	321.396	1.636	50	20	DDGD	
O=C1CCC(=NNC(=O)c2cncn2-c2ccccc2)CCN1	1261277658	HIGDLYCIKOHDHN-UHFFFAOYSA-N	311.345	1.258	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@H]2CCC[C@@H](F)C2)n1	1349081889	MPRVTFIRCJQALG-NEPJUHHUSA-N	311.361	1.111	50	20	DDGD	
C[C@H](CNC(=O)C1CCC(Cl)CC1)N1CCN(C)CC1	1519437697	UEUWKQGSQQDOMG-IYXRBSQSSA-N	301.862	1.536	50	20	DDGD	
O=C(O)Cc1cccc(C(=O)NNc2ncc(F)cc2F)c1	1608784790	YOJPKQUWSFHPJA-UHFFFAOYSA-N	307.256	1.744	50	20	DDGD	
O=C(NNc1ncccc1Cl)c1ccnc(-c2nn[nH]n2)c1	1606861801	FQQONMDJRFHJDA-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)CCOC[C@@H]2CCCO2)cc1	1602127561	RVGDVAHHRYJXGN-AWEZNQCLSA-N	322.361	1.343	50	20	DDGD	
O=C(O)c1coc(C(=O)NNc2ccc(C(F)(F)F)nn2)c1	1602550348	BRMHODIAPGCRIQ-UHFFFAOYSA-N	316.195	1.544	50	20	DDGD	
O=C(O)c1cc(NNC(=O)C2SCCS2)ccc1F	1602286952	VYKQCBIXEPWDGD-UHFFFAOYSA-N	302.352	1.773	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)N[C@@H]2CCC[C@H]2CCO)cc1	1602127052	DKNYBDBHESZLEX-GXTWGEPZSA-N	321.377	1.491	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1cc(C(=O)O)co1	1601291995	DVYHLJPRPYBMSJ-UHFFFAOYSA-N	302.286	1.372	50	20	DDGD	
CC(C)n1nccc1C=NNC(=O)c1cccc(-c2nn[nH]n2)c1	1603435728	GKIPWSYRWFVWQS-UHFFFAOYSA-N	324.348	1.408	50	20	DDGD	
COc1ccc(C(=O)NN=CCC(C)(C)C(=O)O)c(OC)c1	1607206145	ISRNFLUHKUGBMJ-UHFFFAOYSA-N	308.334	1.920	50	20	DDGD	
Cc1nsc(C)c1C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1606139236	GZMDVUYQOSTOIB-UHFFFAOYSA-N	316.350	1.092	50	20	DDGD	
O=C(O)CC1CC(=NNC(=O)c2ccc3c(c2)OCCO3)C1	1608690723	XNDPXYMWXYUZKI-UHFFFAOYSA-N	304.302	1.428	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1ccc(C)nc1C	1549319671	IQJFGKHYZPLLTD-HOCLYGCPSA-N	316.405	1.402	50	20	DDGD	
NCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](F)Cl)CC1	1826810305	QGQBHMXLPZHOCK-WCQYABFASA-N	319.808	1.099	50	20	DDGD	
CC(C)(C)[C@@H](N)C(=O)NNc1ccc(Br)nc1	1573458661	YXOVWJATFAZXEB-VIFPVBQESA-N	301.188	1.661	50	20	DDGD	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)c1nc2ccccc2s1	1574281969	JSITVOPKIMUBPU-UOWDBTKRSA-N	319.342	1.168	50	20	DDGD	
O=C(NNC(=O)C1CCC(C2CC2)CC1)NC1CCNCC1	1580732484	DNVCHZJVGPAXDF-UHFFFAOYSA-N	308.426	1.285	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1F)c1n[nH]c2c1CNCC2	1580737815	YXSVSUJDZDXQLJ-UHFFFAOYSA-N	311.267	1.230	50	20	DDGD	
O=C(c1ccncc1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843362925	MNAOMDAEBDOFNC-LLVKDONJSA-N	311.744	1.433	50	20	DDGD	
C[C@@H](C(=O)O)C(=O)NNc1cccc(F)c1Br	1588576088	NUHXYEIYOXSGSZ-RXMQYKEDSA-N	305.103	1.752	50	20	DDGD	
CC(C)C1(CNC(=O)NNc2ccc(-c3nn[nH]n3)cn2)CC1	1589489636	AQFJNCPUJICIIE-UHFFFAOYSA-N	316.369	1.324	50	20	DDGD	
C[C@@H]1CN(C[C@@H](CBr)C2CC2)C[C@@H](C(=O)O)O1	1599865682	JBVNBYQYBIJGAC-IEBDPFPHSA-N	306.200	1.581	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)N[C@@H]1C[C@@H]2CCC[C@@H]21	1593165123	VFEUGVVPXQTPOX-INTQDDNPSA-N	314.353	1.076	50	20	DDGD	
CCNc1cccnc1C(=O)NNc1cccc(C(=O)O)c1	1596504085	IBKVKTNERWTNOE-UHFFFAOYSA-N	300.318	1.969	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](C(=O)O)C(C)C)c1F	1593899245	WGXDPMMPBIBPKL-JTQLQIEISA-N	312.297	1.412	50	20	DDGD	
CC(C)n1cc2cc(NC(=O)NNC(=O)CN(C)C)ccc2n1	161253131	PPQHPOGMKHXVEA-UHFFFAOYSA-N	318.381	1.332	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc(-c2ncn(C)n2)c1	162139111	LTMADEUXMXOILT-JTQLQIEISA-N	316.365	1.681	50	20	DDGD	
C[C@@H](CN(C)C)NS(=O)(=O)c1ccc(CCCl)cc1	169088550	GEIFLHVUSKLJBO-NSHDSACASA-N	304.843	1.696	50	20	DDGD	
CN1CCC[C@H](CNC(=O)NNc2ncnc3ccsc23)C1	151718460	KZIVNAZILSRROB-SNVBAGLBSA-N	320.422	1.659	50	20	DDGD	
N#Cc1cccc(NNC(=O)CCCNC(=O)c2cccnc2)c1	152367731	XKROSJRFZFLQEE-UHFFFAOYSA-N	323.356	1.607	50	20	DDGD	
CCO[C@H](C)c1nccn1CC(=O)NNC(=O)c1cccs1	155629349	IWSGAMNCQSRXCO-SNVBAGLBSA-N	322.390	1.503	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Cc2ccc(O)cc2)c1	153992500	ACOIQMASPZKWTE-UHFFFAOYSA-N	314.341	1.470	50	20	DDGD	
CN(CCCNC(=O)OC(C)(C)C)S(=O)(=O)CCl	830557971	GMHZAAXTGIQCMI-UHFFFAOYSA-N	300.808	1.359	50	20	DDGD	
NCCCN(Cc1ccccc1)S(=O)(=O)CBr	850586668	BSCYVSYFNKNMCV-UHFFFAOYSA-N	321.240	1.520	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	109860619	WNLAQLLXXKWGBN-UHFFFAOYSA-N	323.696	1.355	50	20	DDGD	
Cc1nc(C)c(C(=O)NNc2nc(-c3ccncc3)no2)s1	103521420	QOOSEUWNQPPWFE-UHFFFAOYSA-N	316.346	1.962	50	20	DDGD	
CCCN1CC[C@@H](CNC(=O)NNC(=O)c2ccccc2C)C1	54806138	JRRQXPYSDXCEQJ-AWEZNQCLSA-N	318.421	1.671	50	20	DDGD	
Cc1noc2ncc(C(=O)NNc3nccnc3Cl)cc12	114894783	PYRXLWXESQMQNH-UHFFFAOYSA-N	304.697	1.732	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)c2ccc(C#N)cc2)C[C@@H](C)O1	111481888	VVTPGBWLFFSHRZ-RISCZKNCSA-N	316.361	1.412	50	20	DDGD	
COC(=O)[C@@H](C)CNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	101888568	MMSBPRVTJKKKBU-JHXMEDKLSA-N	314.345	1.037	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)Nc2ccc3[nH]ncc3c2)cc1	119701268	WRZSEVVPKIWXRD-UHFFFAOYSA-N	320.312	1.516	50	20	DDGD	
CC(C)(C(=O)NNC(=O)Cc1cccnc1)c1ccc(F)cc1	103422950	QFWHUVUGXJSYSM-UHFFFAOYSA-N	315.348	1.888	50	20	DDGD	
COC(=O)[C@H]1CCC[C@@H](C(=O)NNc2cc(C)nc(C)n2)C1	175245174	TYHULWURQGZLOT-NEPJUHHUSA-N	306.366	1.516	50	20	DDGD	
O=C(Cc1ccccc1O)NNC(=O)c1c[nH]c2ccccc12	101630416	AAHQMYYPUMHFPB-UHFFFAOYSA-N	309.325	1.877	50	20	DDGD	
O=C(CCCc1ccc2c(c1)CC(=O)N2)NNc1ncccn1	104238701	XDDZZWVTOFCXBZ-UHFFFAOYSA-N	311.345	1.437	50	20	DDGD	
CCOc1ncccc1NC(=O)NNC(=O)c1ccccc1O	63605669	GOWTUGVFBGAFDQ-UHFFFAOYSA-N	316.317	1.652	50	20	DDGD	
CC(C)NC(=O)Nc1ccc(C(=O)NNc2cnccn2)cc1	114877133	VJQIRZONVNTDSL-UHFFFAOYSA-N	314.349	1.763	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	178005255	XNHLFEZNWVSBTI-GZMMTYOYSA-N	320.374	1.324	50	20	DDGD	
CCCCn1cc(C(=O)NNC(=O)c2cc(C)n[nH]2)c(C)n1	184977611	RKPOLRDWLLTDKC-UHFFFAOYSA-N	304.354	1.098	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)NCCCCC#N)cc1	176388739	BVWQXFHHDDHEIP-UHFFFAOYSA-N	318.381	1.782	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCn1ccnn1)c1ccccc1	171879939	YPHVCMVWFZIJGH-ZDUSSCGKSA-N	301.350	1.009	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)Nc1nccs1	170919736	DKAQPFDBXBHXQX-UHFFFAOYSA-N	315.358	1.951	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CCCOC1	170786660	FROMKDFCJVRIJG-MNOVXSKESA-N	310.325	1.167	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(C(C)=O)cs2)n1	174486848	SHZZKJBKHZSCQX-UHFFFAOYSA-N	306.347	1.815	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	173409511	SMCNWUGAYCELCG-UHFFFAOYSA-N	319.390	1.984	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NNC(=O)c2ccc[nH]2)cc1	125148643	DBAFYOPCIYPVOP-RAXLEYEMSA-N	324.340	1.782	50	20	DDGD	
O=C(NNc1cccnn1)c1ccc(NC2CC2)c([N+](=O)[O-])c1	77030313	JQZPMMOZPVWXJD-UHFFFAOYSA-N	314.305	1.716	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H]2CCC[C@H](N(C)C)C2)n1	181479591	HROJRIVACOLYSU-RYUDHWBXSA-N	307.398	1.589	50	20	DDGD	
CCNC(=O)c1cccc(CN/C=C(/C#N)C(=O)OCC)c1	127437279	MDCGEUFKLXYOKZ-KAMYIIQDSA-N	301.346	1.496	50	20	DDGD	
COc1ccc2[nH]cc(CC(=O)NNc3ncc(F)cn3)c2c1	122638390	XZDKJJFTGMGYOG-UHFFFAOYSA-N	315.308	1.791	50	20	DDGD	
CCC(CC)(NC(=O)/C(C#N)=C\c1ccc(O)cc1)C(N)=O	188331052	ZBKUFWJBVFXBAS-XFXZXTDPSA-N	301.346	1.459	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@H]2COc3ccccc3C2)n1	182785026	JGFKPXGBOCNCRU-SECBINFHSA-N	319.752	1.407	50	20	DDGD	
CC(C)NC(=O)N1CCC[C@H]1C(=O)NNc1ccnc(F)c1	182543199	FMLUDBWBGCSYEY-NSHDSACASA-N	309.345	1.246	50	20	DDGD	
COc1ccnc(NNC(=O)NCCc2nc(C)c(C)s2)n1	120655651	JSEUALWWGDECMF-UHFFFAOYSA-N	322.394	1.427	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCCc2nc(C)no2)cc1	76271013	KEWUWYZSXBDOLO-UHFFFAOYSA-N	316.361	1.724	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2ccc(C(F)(F)F)nn2)cc1O	188726235	YNFIGFQKKXHFTQ-UHFFFAOYSA-N	323.234	1.830	50	20	DDGD	
N#CCc1cccc(C(=O)NNC(=O)c2ccc(Cl)nc2)c1	77249477	PGCVALDMUHVERH-UHFFFAOYSA-N	314.732	1.876	50	20	DDGD	
CCCSCC(=O)NNC(=O)COc1ccccc1F	48368517	YLTFOUFFKLORQR-UHFFFAOYSA-N	300.355	1.495	50	20	DDGD	
Cc1ccnc(NNC(=O)c2ccnc(OCCN(C)C)c2)c1	183228928	KPVBZKICEVLQRW-UHFFFAOYSA-N	315.377	1.482	50	20	DDGD	
CCC[C@@H](C(=O)NNC(=O)C(=O)N1CCCC1)c1ccccc1	132288794	GVBQSAZDRHSDRI-CQSZACIVSA-N	317.389	1.340	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccc(C(F)(F)F)nc1	81028154	YRLAZNXIPNKXIG-UHFFFAOYSA-N	324.262	1.499	50	20	DDGD	
CC(C)=CCNC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	190547749	PWWRWBFJWHZGHF-UHFFFAOYSA-N	318.377	1.539	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)o1	84291890	JBKCNSJLSVZHKL-HNNXBMFYSA-N	314.341	1.970	50	20	DDGD	
CC[C@](C)(O)CNS(=O)(=O)c1ccc(CCCl)cc1	87029983	VOEPIGGPAMZWGT-ZDUSSCGKSA-N	305.827	1.907	50	20	DDGD	
Cc1c(C#N)cccc1NC(=O)C(=O)NNc1ccnc(F)c1	190311899	GIBIFUUCIPYERZ-UHFFFAOYSA-N	313.292	1.483	50	20	DDGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCC(N)=O)c1C	192732084	GDAUJFAGQYMAMY-RIYZIHGNSA-N	302.378	1.414	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)C(=O)Nc1ccc(Cl)cn1	193811420	BQUXLRCJEFTZJQ-UHFFFAOYSA-N	324.768	1.401	50	20	DDGD	
CNC(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1	48644450	PESRJNFEFKIKRG-SSDOTTSWSA-N	316.155	1.177	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C[C@H]2CCCCO2)cc1	87193781	NGDRGWBXFGCIAW-OAHLLOKOSA-N	320.389	1.734	50	20	DDGD	
C[C@@H](Oc1ccccc1Cl)C(=O)NNC(=O)C(C)(C)O	190070685	KYZRAMDQITZOAC-MRVPVSSYSA-N	300.742	1.026	50	20	DDGD	
CN(C)C(=O)NNC(=O)CCc1nc(-c2ccsc2)no1	194929151	LAMSUDHFPZZPTI-UHFFFAOYSA-N	309.351	1.033	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)[C@@H]1C[C@H]1C1CC1	90509273	LQFPUWVHLMPSAV-NWDGAFQWSA-N	320.414	1.981	50	20	DDGD	
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccncc1	264114333	QYIKUEJLUCQFFS-NSHDSACASA-N	322.365	1.146	50	20	DDGD	
O=C(NC[C@@H]1CSCCS1)NNC(=O)c1ccccc1	268146324	QTGNIKDDHLODAH-LLVKDONJSA-N	311.432	1.479	50	20	DDGD	
C[C@@H]1CC/C(=C\C(=O)NNc2nc(O)c3cnn(C)c3n2)C1	269285870	CKVGQARCTBNMLJ-GTUWVTDSSA-N	302.338	1.258	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)c[nH]1	264744737	RVABGIWTWMMROQ-QMMMGPOBSA-N	318.402	1.979	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2cc3c(cn2)OCCC3)n1	368260024	SBOHVFABOJIDKE-UHFFFAOYSA-N	320.740	1.189	50	20	DDGD	
CCN1CCO[C@H](C(=O)NNc2ccc(Cl)c(OC)c2)C1	364606537	ZDRPZZXBYYXMBM-ZDUSSCGKSA-N	313.785	1.512	50	20	DDGD	
Cc1cccc(C)c1NC(=O)C(=O)NNC(=O)OC(C)(C)C	268704335	AXFRFQYDQJBTSQ-UHFFFAOYSA-N	307.350	1.798	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1CCCN1C1CC1)c1ccccc1	279133301	YKSIWBHLSWHFSB-HOTGVXAUSA-N	315.417	1.954	50	20	DDGD	
CCN1CCOC[C@H]1C(=O)NNc1ccc(Cl)c(F)c1	367642273	FMDLSQZDVKPIKR-LBPRGKRZSA-N	301.749	1.643	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2cscc2C)n1	273406017	HEZHRNQSQHSJOP-UHFFFAOYSA-N	307.379	1.723	50	20	DDGD	
O=C1COc2cccc(OS(=O)(=O)CCCCCl)c2N1	275425533	AOFCTNDVNIZLSZ-UHFFFAOYSA-N	319.766	1.745	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H]2C[C@]23CCOC3)c1	368092214	JNFVSJNLCUKXTR-PBHICJAKSA-N	318.373	1.256	50	20	DDGD	
CC(C)[C@@]1(C)C[C@@H]1C(=O)NNC(=O)Cn1cnc2ccccc21	274918201	KOTDMIVGIJYYND-SJKOYZFVSA-N	314.389	1.866	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2cc(Cl)ccn2)[C@H]1OC	275070347	LEACTOSIIAGNHS-CKYFFXLPSA-N	314.773	1.554	50	20	DDGD	
CC(C)n1ccc(C(=O)NN=c2nc(-c3ccncc3)[nH]o2)n1	363097100	LVJDHVQHDMXSJH-UHFFFAOYSA-N	313.321	1.088	50	20	DDGD	
O=C(NNc1cccnn1)c1ccc(O[C@@H]2CCOC2)cc1	279702943	JPDNGMPMXPHICW-CYBMUJFWSA-N	300.318	1.401	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1cc(C)ccc1F	272300073	DBYHEERRIMITDX-SNVBAGLBSA-N	313.329	1.338	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(C)n(C)c2C)nc1	270372142	KJNJIMXRLNSLPZ-UHFFFAOYSA-N	302.334	1.580	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@H](O)C(C)C)c1C	285236047	TWKONVIDHCOELQ-GXTWGEPZSA-N	308.378	1.235	50	20	DDGD	
O=C(NNc1ncccc1F)[C@]1(O)CCc2ccccc2C1	375951751	VFUUBTIXJXWFQF-INIZCTEOSA-N	301.321	1.584	50	20	DDGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](CC(N)=O)C1	377580664	CRLFNZYXUCRMQI-MUKINBEESA-N	300.318	1.657	50	20	DDGD	
O=C(NNC(=O)C1(O)CCCCC1)Nc1cc(F)cc(F)c1	283787640	SQMLREOPECJGAO-UHFFFAOYSA-N	313.304	1.813	50	20	DDGD	
CC(C)(C)N1C[C@H](NC(=O)NNc2ncccc2F)CC1=O	288725907	OWGRQPWBLMTJMW-SECBINFHSA-N	309.345	1.246	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1	280603909	OTRGWSMZONVZPB-AWEZNQCLSA-N	312.373	1.824	50	20	DDGD	
Cc1ocnc1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	299189122	FBNQFLJBEMQNJQ-UHFFFAOYSA-N	303.362	1.960	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CCc1nnc(-c2ccccc2)o1	299301287	NRRBXNBNWSJXAR-UHFFFAOYSA-N	317.349	1.408	50	20	DDGD	
Cc1cc(C)cc(NC(=O)NNC(=O)N2CCN(C)CC2)c1	808470854	KXYDBZFZXATHES-UHFFFAOYSA-N	305.382	1.297	50	20	DDGD	
C[C@@](O)(CCc1ccccc1)C(=O)NN=c1cc[nH]cc1Cl	801194495	LQOZCFYRSXYMCG-MRXNPFEDSA-N	319.792	1.984	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCc2scnc2C)n1	297127287	OABRNOOUMIGCNV-UHFFFAOYSA-N	322.394	1.427	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)cc1	806397097	MGOIGIOOAVQGKE-LLVKDONJSA-N	315.295	1.991	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)N1CCC(CF)CC1	296465040	WDULQQQJCFIMGM-UHFFFAOYSA-N	323.368	1.878	50	20	DDGD	
CC(C)SCC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802101565	PQBFGVPOMBWGCN-UHFFFAOYSA-N	311.363	1.710	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ncn(C(C)(C)C)n2)c(O)c1	292259948	HYQJXTDRZPYKGC-UHFFFAOYSA-N	317.349	1.122	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1sccc1-n1cccc1	294670367	OSQGLBSEENVSNV-NSHDSACASA-N	305.359	1.479	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1c[nH]c2cccnc12	804955201	NQGVVDHBKAMFBB-UHFFFAOYSA-N	320.316	1.296	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CSC[C@@H]2C)cc1	807475499	FHZKOGAZDMVVHV-WCQYABFASA-N	323.418	1.456	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccc1	295552599	MBNHQVSHDHELAD-BBRMVZONSA-N	306.362	1.265	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1cc(C2CC2)on1	291588749	DFJPIPGZUWXURD-UHFFFAOYSA-N	319.292	1.531	50	20	DDGD	
CSSCCNC(=O)N1CC(=O)N[C@H]2CCCC[C@H]21	807229119	OGWXNERSFHOQAE-VHSXEESVSA-N	303.453	1.450	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)COCc1nncn1C	815912865	BLRUYIROLZZXLR-UHFFFAOYSA-N	320.305	1.462	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@](C)(O)C2CCC2)c1	813364336	NROMSFCAKFVCRB-QGZVFWFLSA-N	320.389	1.381	50	20	DDGD	
O=C(NNc1cccc(F)c1)c1cn(C2CCOCC2)nn1	810681359	IDTUSZGXRVSSEJ-UHFFFAOYSA-N	305.313	1.526	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H]2CCC[C@@H](OC)C2)c1O	814406685	HDKLNJACYQJFJK-GHMZBOCLSA-N	322.361	1.367	50	20	DDGD	
Cc1ncc2n1CC[C@@H](C(=O)NNc1ncncc1Cl)C2	811326117	KMZJOGWFVXQWSG-SECBINFHSA-N	306.757	1.341	50	20	DDGD	
CCn1nc(C)c(C(=O)NN=c2sc3ccccc3n2C)n1	814888451	AGDCVYHVAKPRCY-UHFFFAOYSA-N	316.390	1.405	50	20	DDGD	
CC1(c2ccccc2)CC(=NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1	729635274	LEPBXNSCEUTPMH-ZGTOLYCTSA-N	320.414	1.645	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cnc(C(C)(C)C)nc2)n1	814752531	RAVHTMLPYSVVAK-UHFFFAOYSA-N	314.393	1.738	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNc1nc2ccccc2c(=O)n1C	812510219	YKPGWHJCLXRUAT-GHMZBOCLSA-N	318.377	1.295	50	20	DDGD	
Cc1cccc2c(=O)n(CC(=O)NCC(Cl)Cl)cnc12	816605410	XGKHECWXONVDLQ-UHFFFAOYSA-N	314.172	1.625	50	20	DDGD	
CNC(=O)NNC(=O)c1cnc(Cc2ccc(F)cc2)s1	727102910	AKFRSVPIWMYZEC-UHFFFAOYSA-N	308.338	1.447	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CCCCN2C2CCCC2)nc(N)n1	828371133	GHKFXZMYLLFVCG-CYBMUJFWSA-N	318.425	1.607	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2scnc2Cl)c1	728826801	XQBWRUAJBUWGFX-UHFFFAOYSA-N	306.734	1.743	50	20	DDGD	
NCC1(C(=O)NNc2nc(-c3ccncc3)no2)CCCC1	828217585	FQLMRRBDVXUDPQ-UHFFFAOYSA-N	302.338	1.094	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(C(=O)OC)c(C(=O)O)c1	829818095	PRSINNFDVVHKQK-HJWRWDBZSA-N	318.285	1.554	50	20	DDGD	
COC(=O)NNC(=O)CCN(C(=O)OC(C)(C)C)C1CC1	496240242	ULMSLQYJPUGKQE-UHFFFAOYSA-N	301.343	1.163	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1	825795322	JZQSFNAMSMGIIC-NZPIUUIZSA-N	321.352	1.437	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@@H](C2CCCC2)C1	827261044	ZOUXVKUZYWSHOA-YUTCNCBUSA-N	309.410	1.664	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	823842123	PSYIRLVJNFJDKS-GFCCVEGCSA-N	317.430	1.271	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2CCCS2)o1	820201914	CCOOHYWCHBDOBM-ZETCQYMHSA-N	323.382	1.317	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C/c1ccc(S(C)(=O)=O)s1	491011607	PHJSLYQBPBOXGW-UXBLZVDNSA-N	312.416	1.831	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1ccccc1	825681513	KSDYYFOPXJRYDQ-FPMFFAJLSA-N	321.377	1.130	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)CO1	827607992	VMFGFHGSICFVDM-LJVYNOFUSA-N	321.421	1.711	50	20	DDGD	
Cc1ccc(OCCCCNCc2ccc(B(O)O)o2)cc1	585017477	YAOZNOLYRNHTAF-UHFFFAOYSA-N	303.167	1.217	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(CC(F)(F)F)[C@H](C)C1	490783302	PJOBEAKMPFCFNP-UBYNWHESSA-N	305.300	1.525	50	20	DDGD	
Cc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(B(O)O)cc1	584933297	ZFRDPFMAOJGGKS-KRWDZBQOSA-N	309.174	1.652	50	20	DDGD	
CCn1cc(C=NNC(=O)Cn2cnc3ccccc32)c(C)n1	901139366	PHFXJVBELDVANZ-UHFFFAOYSA-N	310.361	1.711	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H](C)Oc1cccc2ccccc12	821217382	IJJULLVOALYAMY-QWHCGFSZSA-N	302.374	1.951	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cncc(O)c1	731867114	VJTWOFWHFJOJOV-SECBINFHSA-N	319.292	1.155	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)COc2ccccc2O)s1	730778459	OKSFUWUOXCTSJV-UHFFFAOYSA-N	321.358	1.306	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNC(=O)c2cccc3ccccc23)CCN1C	826053059	QSGTXKOYFMALDD-TZMCWYRMSA-N	311.385	1.941	50	20	DDGD	
CCCCC[C@H](O)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	822121347	FUTBGTMHHNJASC-LBPRGKRZSA-N	309.322	1.297	50	20	DDGD	
CC(C)[C@H]1C[C@H](NC(=O)NNC(=O)OC(C)(C)C)CCO1	494484734	IHKOOPOBONUPSE-GHMZBOCLSA-N	301.387	1.929	50	20	DDGD	
CCCN(CC(=O)NNC(=O)C1CC1)[C@@H]1CCc2ccccc21	733194600	CFFXUCYWQACCQG-MRXNPFEDSA-N	315.417	1.943	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNC(=O)c1cccc2ncccc12	491542764	BTLCDODDWNOIKL-LBPRGKRZSA-N	310.357	1.981	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCC[C@H]1CCC1CCCC1	584963139	PIERTALQFIQXIZ-KRWDZBQOSA-N	315.222	1.941	50	20	DDGD	
CC(C)[C@@H]1CCO[C@@H]1c1nc(-c2ccc(B(O)O)cc2)no1	585052281	XKGZMTTVPJICFZ-STQMWFEESA-N	302.139	1.150	50	20	DDGD	
C[C@@H](N)C[C@@H](C)NC(=O)NNC(=O)Cc1ccc(Cl)cc1	831203539	WJQLWHGJOIDEDC-NXEZZACHSA-N	312.801	1.339	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccc(SC)o2)c1O	732828496	WLZFQRJGFOCJDE-UHFFFAOYSA-N	322.342	1.791	50	20	DDGD	
COc1cc(C(=O)NN=Cc2ncc[nH]2)cc(OC)c1OC	731148987	CTRQOUJJUTWPKT-UHFFFAOYSA-N	304.306	1.199	50	20	DDGD	
C[C@@H](CNCc1ccc(B(O)O)o1)Oc1cccc(Cl)c1	585026424	GXTFVGGGLJNZIU-JTQLQIEISA-N	309.558	1.170	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1Cc2ccccc2O[C@@H](C)C1	830008838	JNVMFVSIYYSASJ-LBPRGKRZSA-N	305.378	1.073	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)COc2ccc(C#N)cc2)cn1	732710551	LNOZJGZVBCUVSU-UHFFFAOYSA-N	311.345	1.865	50	20	DDGD	
CCn1c(S)nnc1C1CCN(S(=O)(=O)CCl)CC1	830439827	JJYIZAUFWAYFTH-UHFFFAOYSA-N	324.859	1.292	50	20	DDGD	
Cc1ccc(O[C@H](C)CNCc2ccc(B(O)O)cc2F)cc1	585027030	NLDGZTPEEMZWIW-CYBMUJFWSA-N	317.169	1.371	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@H]2CCCC(=O)N2)cc1F	837054069	TWYUATRFLGZGEQ-SECBINFHSA-N	323.324	1.114	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cccc2cccnc12	831099432	GVADYFRBMURIHP-ZYHUDNBSSA-N	314.345	1.813	50	20	DDGD	
CNC(=O)NN=Cc1csc(-c2cccc([N+](=O)[O-])c2)n1	733076170	IZFYIDFEMUBHQW-UHFFFAOYSA-N	305.319	1.981	50	20	DDGD	
CC[C@H](Cc1ccccc1)C(=O)NNC(=O)NCCCOC	732757821	XXORVYSCVWYARG-CQSZACIVSA-N	307.394	1.622	50	20	DDGD	
CC(C)c1ccc(NNC(=O)NCc2nnnn2C2CC2)cc1	838499518	MZXUIYCWXAQFIS-UHFFFAOYSA-N	315.381	1.958	50	20	DDGD	
Cc1nc(CNC(=O)NNC(=O)[C@@H]2CCCCO2)sc1C	836334869	SPFTYMITDXZDHL-JTQLQIEISA-N	312.395	1.159	50	20	DDGD	
C[C@]1(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1Br	908208032	WNAKKXYGHXRSCK-QXEWZRGKSA-N	324.240	1.101	50	20	DDGD	
CC[C@H]1Cc2ccccc2CN1C(=O)c1cccc(B(O)O)c1	584975560	NVYMEVCITPCSMU-KRWDZBQOSA-N	309.174	1.344	50	20	DDGD	
O=C(CC1CCCC1)NN=C1C(=O)Nc2cc(O)c(F)cc21	834951840	AUFWHEHYPVMJGW-UHFFFAOYSA-N	305.309	1.884	50	20	DDGD	
CN(C)C[C@H]1CN(S(=O)(=O)CCl)c2ccccc2O1	830868497	FFFPQYRQVGJGJH-JTQLQIEISA-N	304.799	1.342	50	20	DDGD	
Cc1cccc(OCCN(C)CC(=O)NNC(=O)C(C)(C)C)c1	744384255	KIZRVGPCWRIASQ-UHFFFAOYSA-N	321.421	1.499	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1ccc(N2CCNC2=O)cc1	918674549	SUJCLDSFCVSTGJ-ACCUITESSA-N	314.345	1.276	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)NCC1(C(=O)O)CCCCC1	833481328	SBVJIFWFBVYPMC-UHFFFAOYSA-N	313.398	1.788	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1	910162032	BZBSVJUAJQIPJA-CJNGLKHVSA-N	323.412	1.524	50	20	DDGD	
COc1ccc(CNC(=S)NNC(=O)c2ccc[nH]2)cc1	747766827	OTKDAGAZKROVHS-UHFFFAOYSA-N	304.375	1.332	50	20	DDGD	
COC(=O)[C@@H](Cc1ccc(F)cc1)NNC(=O)[C@@H]1CCCCO1	842151626	VAKDOMFCPPUPDE-KGLIPLIRSA-N	324.352	1.100	50	20	DDGD	
COc1cccc(COCC(=O)NNC(=O)c2ccccn2)c1	915635502	HEDUGGUCZCMDNR-UHFFFAOYSA-N	315.329	1.068	50	20	DDGD	
O=C(CNc1ccccc1F)NN=Cc1ccc(C(=O)O)[nH]1	749811902	FYHRBIVRJNVMRM-UHFFFAOYSA-N	304.281	1.414	50	20	DDGD	
C[C@@H]([C@H](C)C(=O)NNc1cc(F)c(F)cc1F)S(C)(=O)=O	841409275	RRXXZALQUVPTEW-BQBZGAKWSA-N	324.324	1.616	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H]1CC[C@@H](SC)C1	743598905	NWCYOIJIWVVRBT-WDEREUQCSA-N	323.418	1.923	50	20	DDGD	
COc1cccc(NCC(=O)NN=C(C)c2cncnc2C)c1	848401882	MWNIKGFYWBBLTM-UHFFFAOYSA-N	313.361	1.746	50	20	DDGD	
O=C(O)NNC(=O)Nc1ccnc(Sc2ccccn2)c1	740003983	WKHWJDSQNXGXCF-UHFFFAOYSA-N	305.319	1.932	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@H]1CCO[C@@H](c2ccccc2)O1	847390895	OEGPXUWEIBMRIL-UKRRQHHQSA-N	319.361	1.231	50	20	DDGD	
CC1=C(C)C[C@H](C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)CC1	843519370	DFXVVVZMGKKWII-ZIAGYGMSSA-N	314.451	1.615	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)N[C@H]2CC2(C)C)cc1	840409891	SUSAZUVCVJVQAX-LBPRGKRZSA-N	305.382	1.887	50	20	DDGD	
COc1ccnc(NNC(=O)C[C@@H]2OC(=O)c3ccccc32)n1	914762997	JJOPQDMKLVIHQY-NSHDSACASA-N	314.301	1.230	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)[C@@H]1CCO[C@@H]1C)O[C@H](C)C2	842552576	BCYBMWUHYUNRBH-JTNHKYCSSA-N	318.373	1.894	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)N[C@@H]1C[C@H]2CC[C@@H]1O2	845445197	KPACDLHXJYCNRP-MXWKQRLJSA-N	321.402	1.501	50	20	DDGD	
CC(=NNC(=O)c1nnc(O)c2ccccc12)[C@@H]1CCOC1	741758638	MUGIJPMNVDQWHD-SNVBAGLBSA-N	300.318	1.478	50	20	DDGD	
CC(F)(F)CCC(=O)NNC(=O)c1nnc(O)c2ccccc12	916719941	KWSWVLHHHDCRMA-UHFFFAOYSA-N	324.287	1.532	50	20	DDGD	
Cn1cccc1[C@@H]1CCCN1CC(=O)NNC(=O)C(C)(C)C	744385890	YKZJLFURNUBZSV-ZDUSSCGKSA-N	306.410	1.356	50	20	DDGD	
CC[C@@H]1CN(CC(=O)NNC(=O)c2cccc(C)c2)C[C@@H](C)O1	744400943	RMTYKNDWQRUTND-UKRRQHHQSA-N	319.405	1.255	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(Cl)c1	843653559	XJEZJZATHURPPW-WPRPVWTQSA-N	312.753	1.535	50	20	DDGD	
CCn1ncc(C=NNC(=O)COc2cc(C)ccc2C)n1	841606277	CZQDZETXEDRVTB-UHFFFAOYSA-N	301.350	1.444	50	20	DDGD	
O=C(CSC(F)F)NNC(=O)c1ccc(Cl)cc1O	920823079	YPEUFSJJUSRBLT-UHFFFAOYSA-N	310.709	1.762	50	20	DDGD	
CC(C)Oc1cncc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	843663817	YNPXFFQQUXURQN-GXFFZTMASA-N	307.350	1.055	50	20	DDGD	
COc1cccc(SCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	843647334	SQSAOCJVLWISLR-ZWNOBZJWSA-N	324.402	1.360	50	20	DDGD	
COC(=O)c1cccc(NC(=O)NNC(=O)C(C)(C)C)c1OC	844775351	VJMJFBFWTRWPBS-UHFFFAOYSA-N	323.349	1.681	50	20	DDGD	
O=C(NCCCc1nc[nH]n1)NNc1cc(F)c(F)cc1F	923143278	LLOKXISTMPVDLI-UHFFFAOYSA-N	314.271	1.481	50	20	DDGD	
COC(C)(C)CC(=O)NNc1ncc(Br)cn1	848322201	TYJRKBOQSVXINJ-UHFFFAOYSA-N	303.160	1.497	50	20	DDGD	
O=C(NCC[C@]1(O)CCCOC1)NNc1cc(F)ccc1F	923089289	XUVKUIWGTLJLBE-CQSZACIVSA-N	315.320	1.523	50	20	DDGD	
CN(C)CC(=O)NN=Cc1c[nH]c2cccc(Br)c12	754705921	BWCLVTBDFWBCCK-UHFFFAOYSA-N	323.194	1.942	50	20	DDGD	
COc1cccc(C(=O)NNc2ncccc2[N+](=O)[O-])c1OC	759294427	MTZWERGQFIHTKF-UHFFFAOYSA-N	318.289	1.764	50	20	DDGD	
CC[C@@H]1CC(=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)CCO1	756823697	LZNXITPERDZSIH-CYBMUJFWSA-N	306.322	1.852	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@@H]3OCC[C@@H]3C2)C[C@H]1Br	856892751	IVAZHGIKQPEEDL-LSCVPOLPSA-N	317.227	1.980	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Nc2cnn(C(F)F)c2)c1	757864709	CQRJAGGWZUTCCI-UHFFFAOYSA-N	320.259	1.616	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cc(F)cc2nc[nH]c12	855092034	NDGGPIGJBNGLHY-UHFFFAOYSA-N	321.381	1.611	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2nc(Cl)ccc2F)nc1	759734411	DMWMHNYQMMGEII-UHFFFAOYSA-N	324.699	1.813	50	20	DDGD	
CCC(=NNC(=O)c1ccc(OC)c(OC)c1)c1ccn(C)n1	758068405	OPWJOIYIMZVWGF-UHFFFAOYSA-N	316.361	1.981	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cc(C2CC2)n(C)n1)C1CC1	855100434	BRVGHDZOINGHLR-MRVPVSSYSA-N	307.423	1.205	50	20	DDGD	
N#Cc1cc(F)ccc1NC(=O)NNC(=O)CC(F)(F)F	757596077	URWGVKNDRNRNEV-UHFFFAOYSA-N	304.203	1.802	50	20	DDGD	
COC(=O)Nc1ccc(C(=O)NNC(=O)CC(C)C)c(C)c1	929791750	CLLSJYNNXYTNJA-UHFFFAOYSA-N	307.350	1.980	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@H](C)[C@@H](CO)C1	857365736	RQRWQOBCTRIXCG-GXFFZTMASA-N	313.829	1.829	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1C1CC1)c1cccc(Cl)n1	857323091	AQJXQYNZTCBIFQ-NSHDSACASA-N	308.769	1.123	50	20	DDGD	
C[C@@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)c1ccc(C#N)cc1	759737738	SFILRWDHNAIETK-AAEUAGOBSA-N	316.361	1.317	50	20	DDGD	
CCN(c1ccc(C(=O)NNC(=O)c2cc[nH]n2)cc1)C(C)C	855359081	DXEGLXIPISYMMV-UHFFFAOYSA-N	315.377	1.719	50	20	DDGD	
Cc1n[nH]c(C)c1S(=O)(=O)NC[C@]1(C)C[C@@H]1Br	856756421	OZHVBIWPYJGCKK-WPRPVWTQSA-N	322.228	1.478	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=Cc1ccncc1F	853407305	BLZFQVZZJBHKBB-UHFFFAOYSA-N	308.357	1.613	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@](C)(O)C2CC2)c1C	854186616	PWVTVDKWBUJJLF-OAHLLOKOSA-N	307.419	1.782	50	20	DDGD	
O=C(CN1CCCCC1=O)NNc1ccc([N+](=O)[O-])cc1F	855621155	LSKPVRYKOIYOQG-UHFFFAOYSA-N	310.285	1.190	50	20	DDGD	
CNc1nnc(CC(=O)NC[C@]2(C)C[C@@H]2Br)s1	857732732	CKOQEWOOCCBVLG-WKEGUHRASA-N	319.228	1.412	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)c2ccccc2)c1Br	753768558	HPXFUZIJLGUZFG-UHFFFAOYSA-N	323.150	1.257	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NC[C@]1(C)C[C@H]1Br	857401707	MJPXKJAJQJONNW-SCZZXKLOSA-N	312.229	1.101	50	20	DDGD	
O=C(NCCO[C@H]1CCOC1)NNc1ccc(F)cc1Cl	927528635	VCOMMUGSJGJLBE-JTQLQIEISA-N	317.748	1.911	50	20	DDGD	
O=Cc1cc(C(=O)NNC(=O)c2ccc(Cl)nc2)cs1	754987534	MYPHUARFUBOTRL-UHFFFAOYSA-N	309.734	1.684	50	20	DDGD	
CC(C)(C)OC(=O)C1(C(=O)NNC(=O)c2ccccn2)CCC1	854121249	ALDGYMYWMCUAHP-UHFFFAOYSA-N	319.361	1.355	50	20	DDGD	
CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)NNc1ccc(C)nn1	852691402	GYVTUODVFDUHMY-XHDPSFHLSA-N	321.381	1.533	50	20	DDGD	
Cc1ccoc1CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	854180578	NIBRUELFTUHTEA-AWEZNQCLSA-N	316.313	1.118	50	20	DDGD	
CCCCC[C@@H]1CCCN1C(=O)NNC(=O)[C@@H]1CCC(=O)N1	858697106	QEJNPGBVJFTCEO-NEPJUHHUSA-N	310.398	1.051	50	20	DDGD	
CC[C@H]1C[C@H](C(=O)NNC(=O)c2cccc(Cl)n2)CCO1	857323478	OJKPJXSHYYCCLX-ZJUUUORDSA-N	311.769	1.701	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)CNC(=O)c2cccs2)CN1C1CC1	753960004	NVLNACWOZIDPJF-SNVBAGLBSA-N	320.418	1.207	50	20	DDGD	
C[C@]1(CNC(=O)COCC(F)(F)F)C[C@H]1Br	857398721	OWEXLFRYKJNNHN-HTRCEHHLSA-N	304.106	1.855	50	20	DDGD	
COCCCC(C)=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1	759197071	PMCWAAHFYGSKPB-YUELXQCFSA-N	313.442	1.650	50	20	DDGD	
COC(=O)c1cnc(C(=O)NNc2ccc(Cl)nc2)cn1	758298790	KTGWWIZAMQRODI-UHFFFAOYSA-N	307.697	1.069	50	20	DDGD	
C=CC[C@@H]1CCCCC1=NNC(=O)[C@@H](C)NS(C)(=O)=O	853303861	RWBADVBEAFORIY-GHMZBOCLSA-N	301.412	1.163	50	20	DDGD	
CCCCS(=O)(=O)CC(=O)NNc1ccc2ccccc2n1	935260303	HKIOUHPHFWFQOC-UHFFFAOYSA-N	321.402	1.893	50	20	DDGD	
CC(C)c1ccccc1NC(=S)NNC(=O)Cc1nc[nH]n1	867913952	RCIYKSWQJUQSAC-UHFFFAOYSA-N	318.406	1.488	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCCOC2CCOCC2)n1	866294704	UZWZSZWIGDMJMS-UHFFFAOYSA-N	324.381	1.213	50	20	DDGD	
Cc1ccc([C@H](C)NCc2ccccc2B(O)O)cc1[N+](=O)[O-]	863888166	JBBJPSRCJBGNRT-LBPRGKRZSA-N	314.150	1.434	50	20	DDGD	
CCCCCOc1ccc(C=NNC(=O)[C@H]2CCC(=O)N2)cc1	863145181	GQQYORAMPAFPCI-OAHLLOKOSA-N	317.389	1.984	50	20	DDGD	
O=C(N=c1cc[nH]cc1F)NNC(=O)c1cc2c(s1)CCC2	760002636	TVTSZQCCNDOPPU-UHFFFAOYSA-N	320.349	1.659	50	20	DDGD	
CC[C@@]1(C(=O)NNC(=O)C(C)(C)c2ccccc2)CCNC1=O	865632204	RXTKITQSAHHZCK-QGZVFWFLSA-N	317.389	1.028	50	20	DDGD	
C[C@@H]1[C@H](NC(=O)/C(C#N)=C/c2ccc(F)cc2)CCS1(=O)=O	862991530	UWVOBPBMTMAPFF-DIJNDRRESA-N	322.361	1.424	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1ccc(C(C)(C)O)cc1	767384088	AIBZDCRBZNNEOW-CYBMUJFWSA-N	322.405	1.806	50	20	DDGD	
CCCn1cc(C=NNC(=O)NCCc2cccs2)nn1	872345718	XKEOJLBNYHEIDA-UHFFFAOYSA-N	306.395	1.625	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)c2nccn21	1118561563	NAJZHRVWWHCXMJ-PSASIEDQSA-N	318.312	1.067	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2CNC(=O)C[C@@H]2C(F)(F)F)c1	878097114	TZNDUWPJWUXDGH-MNOVXSKESA-N	315.295	1.753	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CCn2ccnc2)cc1C	873763882	NAHWHBYSJIHZEV-UHFFFAOYSA-N	317.418	1.908	50	20	DDGD	
O=C(CC[C@H]1CCOC1)NNC(=O)c1nc2ccccc2s1	874913169	GREXFQUFJAYGOH-JTQLQIEISA-N	319.386	1.874	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)N[C@H]1CC12CCC2	873255894	KDTOYSXZIGYKMU-STQMWFEESA-N	317.345	1.099	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccnn1C[C@H]1CCOC1	1116678541	UPIDNSJKECDYRC-LLVKDONJSA-N	309.370	1.118	50	20	DDGD	
O=C(NNc1ccc(Cl)c(F)c1)N[C@H]1C[C@@H](C(=O)O)C1	874414824	FPRRZQBLWYXGGW-WRXNHJIOSA-N	301.705	1.968	50	20	DDGD	
COc1ccc(C=NNC(=O)C(=O)NC(C)C)cc1C(C)(C)C	872338958	SLBNEWSQSQPYAY-UHFFFAOYSA-N	319.405	1.967	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)c2nc3ccccc3s2)O1	874913354	CGEYBPHXSWYRSC-LNLATYFQSA-N	319.386	1.871	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)C1(O)Cc2ccccc2C1	1116347677	VPZAUAQAVLRBCQ-UHFFFAOYSA-N	313.313	1.568	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@](C)(CO)Cc1ccc(OC)cc1	874740385	JLVVHHMJGFISBY-IFCKCIONSA-N	318.373	1.549	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccsc1C(F)(F)F	872400150	OHXZBMXMUQVTTI-UHFFFAOYSA-N	310.297	1.880	50	20	DDGD	
CC[C@@H](CO)C(=O)NNC(=O)c1cccc(Br)c1	779796308	SSTSTQVVSWIVRG-QMMMGPOBSA-N	315.167	1.229	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@H]2COc3ccccc3C2)cc[nH]1	875019995	FZIVUBBVDDZKLM-ZDUSSCGKSA-N	312.373	1.689	50	20	DDGD	
COC(=O)CNC(=O)NNC(=S)Nc1ccc(C(C)C)cc1	779719938	GCDZXJQGQGJFMD-UHFFFAOYSA-N	324.406	1.484	50	20	DDGD	
CNC[C@@H](C)CNC(=O)NNC(=O)CCCc1ccccc1	1117966605	KQJWZFAOUMDLNL-CYBMUJFWSA-N	306.410	1.195	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1ncc(C2OCCO2)s1	773054575	LNZPXKYEYIXJLZ-UHFFFAOYSA-N	318.358	1.276	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)Cc2ccncc2)nc1C	779677329	WJYUQQRTULQHHW-UHFFFAOYSA-N	315.333	1.043	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNC(=O)c1ccc(OC)c(OC)c1	777878522	XWNJOHSJEMULCZ-LLVKDONJSA-N	324.377	1.528	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)N2CCCCCC2)cc1O	882048793	GJTULRYAOVUNBM-ZDUSSCGKSA-N	319.405	1.726	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C1(c2ccc(N(C)C)cc2)CC1	887149114	JXVBRHSDVRUNQK-UHFFFAOYSA-N	313.401	1.735	50	20	DDGD	
C[C@H](CN(C)S(=O)(=O)CCCCl)C(=O)OC(C)(C)C	882254312	AKYPWZZMTKRVTQ-SNVBAGLBSA-N	313.847	1.855	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN(Cc1ccncc1)C1CC1	772241987	KCAUVCBQVDDBJQ-UHFFFAOYSA-N	304.394	1.240	50	20	DDGD	
Cc1csc2ncc(C(=O)NNc3cccc(F)c3)c(=O)n12	776491385	VBPUPVOOSYVFTF-UHFFFAOYSA-N	318.333	1.960	50	20	DDGD	
O=C(NC[C@H]1CCCC(F)(F)C1)NNC(=O)C1CCOCC1	883627303	XJWLZZGTVLXSHO-JTQLQIEISA-N	319.352	1.569	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(N(CC)CCC)nc1	887142810	ASZDGLCSSSOORR-UHFFFAOYSA-N	316.405	1.882	50	20	DDGD	
CN(C)CC(=O)NN=Cc1c(F)cccc1OC(F)(F)F	789004415	FYYCWBWSVHNQAD-UHFFFAOYSA-N	307.247	1.736	50	20	DDGD	
Cc1cc(C)n(-c2ccc(CC(=O)NN=c3cc[nH]cc3)cc2)n1	780757743	ZNKKSVUTXZTIJT-UHFFFAOYSA-N	321.384	1.992	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@@H](C(C)C)N1CCCC1=O	788191906	ZCXCKYIPPQRPMD-OAHLLOKOSA-N	323.368	1.924	50	20	DDGD	
Cn1ccc(CC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)n1	782188434	ITTXJLUEOBDJOM-UHFFFAOYSA-N	316.405	1.326	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Cc1ccc(Cl)cn1	786097897	CKXQYSFNQYEESQ-UHFFFAOYSA-N	304.737	1.063	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cnc(N(C)C)cn2)c1	781039028	LRCMNOHDXMBCMI-UHFFFAOYSA-N	315.333	1.086	50	20	DDGD	
Cc1cc(C)n2nc(C(=O)NNc3ccnc(F)c3)nc2n1	781357239	GBGRLBCZVAGKSF-UHFFFAOYSA-N	301.285	1.032	50	20	DDGD	
Cn1ncc(NC(=O)NNC(=O)[C@H]2CCCCO2)c1C1CC1	880462048	CMSUOQBLUPVWMS-LLVKDONJSA-N	307.354	1.019	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C#N)cc1)[C@]1(C)CCCO1	782135544	KLTCUWHKGZSHHX-INIZCTEOSA-N	301.346	1.998	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)Cc1ccccc1F	788227248	AJKWHOSHWJHTLI-UHFFFAOYSA-N	323.349	1.159	50	20	DDGD	
CC(C)CNC(=O)NC(=O)[C@H](C)OC(=O)/C(C#N)=C/C1CC1	786678512	DNUGZEGSWXOREE-PQTFEYQYSA-N	307.350	1.260	50	20	DDGD	
Cc1ccc2c(c1)N(C(=O)C(=O)NNc1cc(C)ncn1)CC2	783944017	AMYCJATWTNZUAC-UHFFFAOYSA-N	311.345	1.126	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2)C1	787133669	KTRPEJIKKHFMGC-NXEZZACHSA-N	306.322	1.330	50	20	DDGD	
CN1C(=O)CCC[C@H]1C(=O)NNc1nc2ccccc2n1C	899095147	FSECCGMRAXTCMB-LBPRGKRZSA-N	301.350	1.027	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)C(=O)Nc2cnn(C(F)F)c2)c1	783362282	PJSTUSOZAGCIJX-UHFFFAOYSA-N	323.303	1.977	50	20	DDGD	
C[C@H](NCC(=O)NNC(=O)c1cccs1)c1cccnc1	781170811	ASPDIDGFDQKYEB-JTQLQIEISA-N	304.375	1.255	50	20	DDGD	
C[C@H](Oc1ccccc1)C(=O)NNc1ccc(-n2ccnc2)nn1	788179602	XXLMDMXGPXYLKX-LBPRGKRZSA-N	324.344	1.573	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@@]23CCC[C@@H]2C3)c1	891960386	XMRDRSCRJFHVCF-BDJLRTHQSA-N	303.362	1.445	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1ccccc1SC	780380230	QCTHDLKNMGVWCQ-UHFFFAOYSA-N	317.436	1.701	50	20	DDGD	
Cc1cc2c(cc1NC(=O)C(=O)NNc1ccccc1)OCO2	784763138	CASLTGGUAGCWCO-UHFFFAOYSA-N	313.313	1.806	50	20	DDGD	
CO[C@H]1CCCN(CC(=O)NNC(=O)c2cccc(C)c2)CC1	783011461	FIJNOJSCSKAILF-HNNXBMFYSA-N	319.405	1.257	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NC[C@@H]1CCN1C(=O)OC(C)(C)C	899236849	SVFPRVRJIFFFNG-ZKQHCESOSA-N	309.366	1.556	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)c1ccc[nH]1)C1CCOCC1	896997827	GYUXYHZZGSQYCA-UHFFFAOYSA-N	308.382	1.412	50	20	DDGD	
CSSCCNC(=O)NCC1CCN(C(C)=O)CC1	790711182	KIBBOBFOYPNOGF-UHFFFAOYSA-N	305.469	1.555	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1nc(Br)cs1	798305740	DHUXSGQHWKCARL-UHFFFAOYSA-N	321.225	1.201	50	20	DDGD	
C[C@@H](NS(=O)(=O)CBr)c1c(F)cncc1F	796227919	URWJSXHMXGVBOX-RXMQYKEDSA-N	315.139	1.693	50	20	DDGD	
CC(=O)N1CCC[C@@H](CNC(=O)NNC(=O)CC(C)(C)C)C1	793211570	BDRCSTNMPAPORJ-LBPRGKRZSA-N	312.414	1.012	50	20	DDGD	
NC(=S)c1ccc(C(=O)NNc2cc(Cl)nc(N)n2)cc1	798339192	OHGDXQJZPNGGFL-UHFFFAOYSA-N	322.781	1.103	50	20	DDGD	
O=C(CNc1ccccc1F)NN=C1CC(=O)N2CCCC[C@@H]12	799467957	KRDDXSDCTCIRPF-AWEZNQCLSA-N	318.352	1.495	50	20	DDGD	
CCC(=NNC(=O)Cc1cc(O)nc(O)n1)c1cccc(C)c1	794914906	NYTUSCJHCZWWSZ-UHFFFAOYSA-N	314.345	1.669	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCCCCC1)c1ccc(O)nn1	790149768	PWTCHTOCWIVZLK-LBPRGKRZSA-N	319.409	1.535	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)Cc1ccccc1)c1cc2ccccc2o1	793614533	MRZPRCYYAMKIKS-AWEZNQCLSA-N	324.336	1.797	50	20	DDGD	
CO[C@@H](C(=O)NNc1ccccc1[N+](=O)[O-])c1cnn(C)c1	798823291	JFURPZUXIYNZCL-GFCCVEGCSA-N	305.294	1.159	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1CCc2cc(C)ccc2O1	793200212	FKMWCAMCUPGQOG-AWEZNQCLSA-N	305.378	1.819	50	20	DDGD	
Cc1nc(SCC(=O)NNC(=O)Nc2ccccc2C)n[nH]1	798312668	ICVKKTQURNDYSW-UHFFFAOYSA-N	320.378	1.367	50	20	DDGD	
CCCCC1CCC(CNC(=O)NNC(=O)C(=O)OC)CC1	1319300154	SAEXJLDOFYLMGA-UHFFFAOYSA-N	313.398	1.486	50	20	DDGD	
C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)CCl	1319676024	NRPDKYFHGAFUEQ-SNVBAGLBSA-N	323.780	1.448	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCc1nnc(C)o1)c1ccccc1	1318424296	YHHGSEOMFDVYPX-LBPRGKRZSA-N	317.349	1.402	50	20	DDGD	
CC(=O)c1cc(C(=O)NNc2nncc(N)c2Cl)cs1	1327849722	OENMZVBAALORDV-UHFFFAOYSA-N	311.754	1.733	50	20	DDGD	
CCC[C@@H]1CCCC[C@@H]1CNC(=O)NNC(=O)C1CCNCC1	1325367526	YNWADUJCXTVPHY-UKRRQHHQSA-N	324.469	1.923	50	20	DDGD	
COc1nccnc1NNC(=O)CSCc1cccs1	1325526883	XSJDWBYDBPRJLH-UHFFFAOYSA-N	310.404	1.923	50	20	DDGD	
COc1cccc2c1CC[C@H]2NC(=O)NNC(=O)c1cn[nH]c1	1328804980	XYPAYCPJVSMEIS-GFCCVEGCSA-N	315.333	1.050	50	20	DDGD	
Cc1ccnc(O)c1C(=O)NNc1ccc(C(F)(F)F)nn1	1323570099	OMDGPBCCCSAALS-UHFFFAOYSA-N	313.239	1.661	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H](C)c2noc(C)n2)c1	1326950726	XLNGZUFFLLNYJG-MRVPVSSYSA-N	319.321	1.552	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cc[nH]c2C(C)C)c1O	1328832061	IMGZPKDDCFXBTE-UHFFFAOYSA-N	317.345	1.927	50	20	DDGD	
CCCN1CC[C@H](NC(=O)c2c(C)nn(CCCl)c2C)C1	1330966627	PKGWGARRAXYTFC-ZDUSSCGKSA-N	312.845	1.953	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H]1C1CC1)c1cncn1-c1ccccc1	1261232575	LMGPNOIZSTXCRU-KGLIPLIRSA-N	310.357	1.679	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NC/C=C/C1CC1	1344461522	KCSGYVGQHXDISV-SNAWJCMRSA-N	313.361	1.553	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](C(=O)NNc2ccc(OC(F)F)cc2)C1	1346937242	ZOKWRDAXHOODRH-DTORHVGOSA-N	314.288	1.930	50	20	DDGD	
COC(=O)C(=O)NN=C1CCCOc2ccc(C(C)C)cc21	1340589077	FEAXCTYJXBQTJZ-UHFFFAOYSA-N	304.346	1.976	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)[C@@]12[C@@H]3[C@H]4C(=O)[C@H]1[C@@H]1[C@@H]4C[C@@H]3[C@H]12	1608948423	ZCHRRCRKBQITRG-XVBTVWCZSA-N	324.336	1.155	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@]1(C(=O)O)CC=CCC1	1605710033	UHLNAAXEOGXUDS-INIZCTEOSA-N	320.320	1.327	50	20	DDGD	
Cc1oc(C(=O)O)cc1C(=O)NNc1nccnc1C(C)C	1600827358	HIXGMMUOZZVFNQ-UHFFFAOYSA-N	304.306	1.957	50	20	DDGD	
CCn1ccc(CNC(=O)NNc2ccc(C(=O)O)cc2F)n1	1605927772	NZXWGYRERMMGCP-UHFFFAOYSA-N	321.312	1.567	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H]2CCO[C@@H](C)C2)cccc1C(=O)O	1600050365	DICJQRLNQLNEJT-GXSJLCMTSA-N	307.350	1.887	50	20	DDGD	
CCO/C=C(\C#N)c1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1	1604414570	WBSAMZIXWQLHFL-DHZHZOJOSA-N	309.289	1.818	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1ccc2cc[nH]c2c1	1606858244	MZNYVTQTVIZCEN-UHFFFAOYSA-N	320.316	1.500	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H](C(=O)NNc2cc(Cl)nc(Cl)c2)O1	1608804301	FFQWBYMNXMQZOY-RQJHMYQMSA-N	320.132	1.464	50	20	DDGD	
Cc1nsc(C)c1C(=O)NNc1cccc(-c2nn[nH]n2)c1	1606139602	RPESEEHLWYQUCH-UHFFFAOYSA-N	315.362	1.697	50	20	DDGD	
C[C@@H]1CSC[C@H]1NC(=O)NNc1ccc(C(=O)O)cc1F	1604823028	HITBTTZPAQLOST-RDDDGLTNSA-N	313.354	1.902	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)[C@@H]1CC[C@@H]2CCCCN21	1602471808	QHTKCJBNSQQUQK-FZMZJTMJSA-N	303.362	1.845	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1cnn(-c2ccc(Cl)cc2)c1	1610782784	AJHUAQOXSJOKQS-UHFFFAOYSA-N	321.724	1.243	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)cc1Cl	1549322051	WYDOLDYSJJACKZ-ZFWWWQNUSA-N	321.808	1.962	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C[C@@H]1CCCO[C@@H]1c1nccn1C	1552452076	ASGMBORGWUKVDI-XUXIUFHCSA-N	320.393	1.415	50	20	DDGD	
CCNCc1ccccc1NC(=O)NNC(=O)C1CCOCC1	1577878190	DBOIQTQVEDATKZ-UHFFFAOYSA-N	320.393	1.375	50	20	DDGD	
CCn1nc(NC(=O)NNC(=O)CCCCCN)cc1C1CC1	1578363160	IGNLZQOLTSQDPR-UHFFFAOYSA-N	322.413	1.452	50	20	DDGD	
CC#CC[C@@H](N)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	1574973608	XBYNMOYWKRCZAB-ZYHUDNBSSA-N	319.430	1.375	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3)c1C	1578877537	ARHVBNKSISEXHR-SWHYSGLUSA-N	318.377	1.301	50	20	DDGD	
N[C@H](Cc1ccccc1)C(=O)NNc1ccc([N+](=O)[O-])cc1F	1574263768	GOYHFIFASXALEY-CYBMUJFWSA-N	318.308	1.747	50	20	DDGD	
NCCNC(=O)NNC(=O)CCc1ccc(F)c2ccccc12	1580311196	JOBAWHGNSVYRNL-UHFFFAOYSA-N	318.352	1.201	50	20	DDGD	
NCCCC(=O)NNC(=O)c1ccc(SC(F)(F)F)nc1	1580289537	LNSXBOPGJLVWDJ-UHFFFAOYSA-N	322.312	1.193	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)C(=O)C1CC1)C2	1845162640	GEEBJJNCDIFRQS-LLVKDONJSA-N	312.797	1.186	50	20	DDGD	
CC[C@@H](C(=O)O)C(=O)NNc1ncnc(Cl)c1C(C)C	1594755829	UVDCKNVVELOQRR-SSDOTTSWSA-N	300.746	1.807	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cc(C(=O)O)co2)c1C	1598999152	BRBINXGJJLDWNX-UHFFFAOYSA-N	318.285	1.830	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1	1590393404	DMWOFWSZJPRLOB-SSDOTTSWSA-N	321.316	1.205	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)Cn1cc(C)cn1	1599377200	NXNPQRUBKFRAFE-UHFFFAOYSA-N	304.306	1.042	50	20	DDGD	
CSSCCNc1cc(-c2nn[nH]n2)nc(C2CC2)n1	1591701663	DHSIYVNMXUUKQS-UHFFFAOYSA-N	309.424	1.957	50	20	DDGD	
O=C(O)[C@H](C(=O)NNc1cnnc2ccccc12)C1CCCC1	1594835038	AYDRBNCUBVNZFS-AWEZNQCLSA-N	314.345	1.964	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NN=C1CCCc2cc(C(=O)O)ccc21	1776102090	GOAREFXCIFYSLY-ZFWWWQNUSA-N	316.357	1.966	50	20	DDGD	
O=C(NN=Cc1sccc1C(=O)O)c1ccc(O)c(O)c1	1776058408	CNVYTPCGOAUJDY-UHFFFAOYSA-N	306.299	1.621	50	20	DDGD	
O=C(O)Cc1cccc(-c2ccc(C=NNC(=O)CO)cc2)c1	1776052812	UUVBHVBYIAPMNB-UHFFFAOYSA-N	312.325	1.423	50	20	DDGD	
CC(C[C@@H]1CCCC(=O)N1)=NNC(=O)c1ccc(C(=O)O)cc1	1776101061	OWHFQZMDBCAVLQ-ZDUSSCGKSA-N	317.345	1.549	50	20	DDGD	
COc1cc(C(=O)O)ccc1C=NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	1776090853	FGHHUINXALYSFO-FRRDWIJNSA-N	318.329	1.411	50	20	DDGD	
NCC(=O)NC1(c2ccc(NC(=O)[C@@H](F)Cl)cc2)CCC1	1788583004	ZPQFNUZAVKDETB-GFCCVEGCSA-N	313.760	1.614	50	20	DDGD	
C[C@H](C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)c1cccs1	151407432	WQOFCZWTMNZYCK-QWRGUYRKSA-N	316.448	1.344	50	20	DDGD	
C#CCOc1ccc(C(=O)NNC(=O)c2ccccc2OC)cc1	155148636	RHZYRZLXVMAGJU-UHFFFAOYSA-N	324.336	1.782	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)Cc2ccccc2O)n1	155725317	LIRJPOBCOKAGHK-UHFFFAOYSA-N	315.377	1.714	50	20	DDGD	
C=CCOCCCC(=O)NNc1nccc(N(CC)CC)n1	155776877	FGBJBXNGKXCGHV-UHFFFAOYSA-N	307.398	1.749	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCOC1)c1cc(-c2ccc(F)cc2)n[nH]1	154310277	DODRQDCQFKTKRJ-JTQLQIEISA-N	318.308	1.013	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CCCCC2(C)C)n1	156810626	BUCSATHYGMSHKP-CYBMUJFWSA-N	321.425	1.799	50	20	DDGD	
COC(=O)C(C)(C)CS(=O)(=O)NCCSSC	808312815	JKNNBBFBNZCNOR-UHFFFAOYSA-N	301.455	1.116	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2c(F)cc(F)cc2F)CC1	273733072	UJCCPMSJQUCMLJ-UHFFFAOYSA-N	302.277	1.948	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CC(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	10160518	LTGMIVBQIMCYEM-UHFFFAOYSA-N	324.293	1.619	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)c2cscn2)o1	103074313	XLJUDQSGAMFQJL-UHFFFAOYSA-N	322.390	1.653	50	20	DDGD	
NC(=O)[C@@H]1CN(C(=O)CCCC[C@H]2CCSS2)CCO1	50857566	OOLFMKAKVBXHJS-QWRGUYRKSA-N	318.464	1.413	50	20	DDGD	
C[C@@H](Cc1cccc(F)c1)C(=O)NNC(=O)c1cnn(C)c1	117679882	LGBQHISEIIGNIW-JTQLQIEISA-N	304.325	1.199	50	20	DDGD	
O=C(Cn1cc(Br)ccc1=O)NNc1ccccc1	111552867	BJJABCWPBYNPCX-UHFFFAOYSA-N	322.162	1.754	50	20	DDGD	
COCC(=O)NNC(=O)c1ccc(COc2ccccc2)o1	23980362	KCQXTYCFRYZZLC-UHFFFAOYSA-N	304.302	1.266	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1cccc(F)c1F	103060238	DSJJYBAXNVFWEX-UHFFFAOYSA-N	306.334	1.711	50	20	DDGD	
C[C@@H](Oc1cccnc1)C(=O)NNC(=O)Cc1ccc(F)cc1	117743790	GQZLECYLGMFZIP-LLVKDONJSA-N	317.320	1.378	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](C)c2c(C)noc2C)n1	174475424	QATGTLLGCOSWPT-MRVPVSSYSA-N	305.338	1.645	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NC[C@@H](C)N1CCc2ccccc2C1	26526754	BXLPOQRZILXLDU-MTOJCTJASA-N	313.401	1.993	50	20	DDGD	
COc1ccc(CCCNC(=O)NNC(=O)c2ccc[nH]2)cc1	128377852	ZPFQMRPDVFZXBE-UHFFFAOYSA-N	316.361	1.600	50	20	DDGD	
C[C@H](CNC(=O)NNc1ncccn1)Oc1cccc(F)c1	176102433	QYQVAIHHQIUEGK-SNVBAGLBSA-N	305.313	1.709	50	20	DDGD	
CN(C)N(C(=O)C1CCC(C)(C)CC1)[C@H]1CCS(=O)(=O)C1	119752006	OJNDSPVDDBOPSJ-ZDUSSCGKSA-N	316.467	1.695	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H](C)OCC1CC1	68361437	BGPGLAHQVOBLFY-LLVKDONJSA-N	306.362	1.200	50	20	DDGD	
CCN(CC)CCCNC(=O)NNC(=O)c1ccccc1OC	67581497	ZHQKDWYZLGOZBL-UHFFFAOYSA-N	322.409	1.371	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(F)c(NC(C)=O)c1	67463995	XKKIKCSEYKEWSK-UHFFFAOYSA-N	310.354	1.079	50	20	DDGD	
O=C(CCc1ccco1)NNC(=O)CSc1ccccc1O	179716732	DVOFFXVHGZPJRU-UHFFFAOYSA-N	320.370	1.858	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)COCC2CC2)c1C	60603957	WNXBBJIOCMILRB-CYBMUJFWSA-N	320.389	1.645	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)CCc1ccncc1	78885623	ZVROHCLCFGWGET-UHFFFAOYSA-N	323.356	1.432	50	20	DDGD	
COc1cccc(NNC(=O)C[C@@H]2C(=O)Nc3ccccc32)n1	180675728	YXKJGKXKEGWILK-NSHDSACASA-N	312.329	1.659	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1)N(C)C	126332323	MKCABQNPDUFEDB-CQSZACIVSA-N	315.377	1.178	50	20	DDGD	
O=C(CCNC(=O)OCC(F)(F)F)NNc1ccccn1	181227962	JJBHSLOCLCIPTG-UHFFFAOYSA-N	306.244	1.203	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC[C@@H]2CCCC[C@@H]2C)n1	127730099	CIROSYSODDWQLM-FZMZJTMJSA-N	321.425	1.657	50	20	DDGD	
O=C(NNS(=O)(=O)c1c[nH]c2ncccc12)c1ccccc1	72014924	FEZMCNCWZKHPPQ-UHFFFAOYSA-N	316.342	1.186	50	20	DDGD	
COc1ncccc1NC(=O)C(=O)NNc1cc(C)ccc1C	132075721	OBHGNECHJVVMPW-UHFFFAOYSA-N	314.345	1.789	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)CCCCc2c[nH]nn2)nn1	139365080	WWTYMHWRJTVWTN-UHFFFAOYSA-N	317.397	1.748	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCc2ccsc2)c1	79212655	OQIJJSCVDFOXJB-UHFFFAOYSA-N	318.402	1.958	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COCCOc2ccccc2)o1	84373822	FRKVAGGSPYQLER-UHFFFAOYSA-N	318.329	1.445	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)CCc1ccc(C#N)cc1)C1CC1	83676388	MEKOFWRQJZGLNH-LLVKDONJSA-N	316.430	1.785	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC2CCN(C(C)C)CC2)n1	43179673	GCMKTDVMOHUUDT-UHFFFAOYSA-N	306.414	1.592	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)C(=O)Nc1ccc(Cl)cc1	192899677	ZZPFBNJKINYEHX-UHFFFAOYSA-N	306.709	1.068	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)[C@@H]3COCCO3)cc2C1	47954343	NHVMXKMGUNJMRN-ONGXEEELSA-N	324.402	1.049	50	20	DDGD	
CCCc1cc(NC(=O)NNc2nc3ccccn3n2)n(C)n1	190118420	KJHSUABAPKGRJQ-UHFFFAOYSA-N	314.353	1.564	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)/C=C/SCc2ccco2)cn1	84977365	LYQBUJXECUVXCA-GQCTYLIASA-N	306.347	1.221	50	20	DDGD	
CCN(CC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1)C1CC1	135923919	JRJGVASLABYMEH-NSHDSACASA-N	323.368	1.225	50	20	DDGD	
COc1cccc(OCCCNC(=O)NNC(=O)C(C)(C)C)c1	265716268	YMCIXRDPEOKAMM-UHFFFAOYSA-N	323.393	1.841	50	20	DDGD	
CSCCNC(=S)NNC(=O)CCc1ccccc1O	269857275	QLYDHVHVVXOTBH-UHFFFAOYSA-N	313.448	1.183	50	20	DDGD	
CC[C@H](OC)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	264175572	WZUWAAYSKXGHHU-JTQLQIEISA-N	322.333	1.551	50	20	DDGD	
COC[C@H](C)CNC(=O)NNC(=O)CCc1ccc(OC)cc1	264093365	GHOOQZMJBDJPHK-GFCCVEGCSA-N	323.393	1.241	50	20	DDGD	
Cn1ncnc1NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	273428862	KRMQLFWUKGYXEL-UHFFFAOYSA-N	318.381	1.184	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc(OCC(F)F)nc1	270455330	DIMZOQXWZSALLU-UHFFFAOYSA-N	317.292	1.895	50	20	DDGD	
CC1(C)CCC[C@@H](NC(=O)NNC(=O)Cc2cccnc2)C1	276867283	DIWMBCYKJWFENB-CYBMUJFWSA-N	304.394	1.923	50	20	DDGD	
CC(C)=CCNC(=O)NNC(=O)CSc1ccccc1O	276636146	RCXKONAEJNBFKJ-UHFFFAOYSA-N	309.391	1.781	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NO[C@H]1CCCCO1	275111104	LMRVZTUIFMOXDJ-ZDUSSCGKSA-N	311.313	1.157	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccc2c(c1)NC(=O)CC2	273484306	MWDLKYZYFODUNM-UHFFFAOYSA-N	302.334	1.524	50	20	DDGD	
CC[C@H](C)[C@@H](C)C(=O)NNC(=O)CNC(=O)c1cccs1	272576448	XKYAYQNKKUAMGE-VHSXEESVSA-N	311.407	1.308	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccc(OC[C@@H]2CCCO2)cc1	274049460	GWEBEYNYRHVPKG-AWEZNQCLSA-N	319.361	1.807	50	20	DDGD	
CC(=O)Nc1cc(S(=O)(=O)N2CC=C(C#N)CC2)ccc1F	272819083	OKIPLSGQDYSDOA-UHFFFAOYSA-N	323.349	1.628	50	20	DDGD	
O=C(Cn1ncc2ccccc2c1=O)NCC(Cl)Cl	288295044	SCHMIWCLVWRSQP-UHFFFAOYSA-N	300.145	1.316	50	20	DDGD	
C[C@@H]1CC=CC[C@H]1C(=O)NNc1nc(O)c2cnn(C)c2n1	285484287	IJBZMNRDSJWQFZ-RKDXNWHRSA-N	302.338	1.114	50	20	DDGD	
NS(=O)(=O)Cc1cccc(C(=O)NCC(Cl)Cl)c1	288792258	FJAZXYUOZQANRP-UHFFFAOYSA-N	311.190	1.009	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C(C)(C)c2c(C)noc2C)n1	280636934	BXVCTNKRDZCUPH-UHFFFAOYSA-N	319.365	1.819	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1conc1C1CC1	289486140	CHYNHDNNWVYSJG-UHFFFAOYSA-N	315.329	1.564	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2c(F)cccc2F)CCC1	281129477	IRTSTVBKEYMDMP-UHFFFAOYSA-N	304.318	1.375	50	20	DDGD	
O=C(CC[C@H]1CCOC1)NNC(=O)Nc1cc(F)cc(F)c1	283807682	WTCVMJYHNBQVRA-VIFPVBQESA-N	313.304	1.934	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1cccc(Cl)n1	285165307	KBSYLYIYXYZZAV-UHFFFAOYSA-N	312.757	1.257	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)c1cc2c(s1)CCCCC2)C1CC1	288135162	CNZXFMYZZGPMQN-MRXNPFEDSA-N	322.430	1.939	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NNC(=O)c1ccccc1C	281175629	BIXGESAMFSMEJO-HIFRSBDPSA-N	317.389	1.920	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cc(C)c(OC)cc1Cl	808933502	OMTWYOXBUVPAIJ-UHFFFAOYSA-N	313.741	1.153	50	20	DDGD	
CN(C)C(=O)NNC(=O)C1(c2ccc(F)cc2)CCOCC1	299349669	GQMVNXXOVVRKJL-UHFFFAOYSA-N	309.341	1.176	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)c3ccnn3C)cc2C1	299365943	RRTWJUYNMAFSJN-VIFPVBQESA-N	318.402	1.681	50	20	DDGD	
COc1ccc2c(c1F)CCC2=NNC(=O)c1cc(C)[nH]n1	807975713	FHLPBVBOUAUKJK-UHFFFAOYSA-N	302.309	1.946	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1ccc2c(c1)CCC2	296638576	RRROCIDETWRYFQ-CQSZACIVSA-N	303.362	1.897	50	20	DDGD	
COc1cc(OC)c(C(=O)NNC(=O)CC2CC2)cc1OC	294141503	LQILLNNJBIBWER-UHFFFAOYSA-N	308.334	1.274	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)N=c1cc[nH]cc1)c1c(F)cccc1F	802024200	LLLMPPAZRIRASX-SECBINFHSA-N	320.299	1.738	50	20	DDGD	
CC(C)CN1CC[C@@H](CNC(=O)NNc2cccc(F)n2)C1	805197714	GXQJINKDDDTPBD-LBPRGKRZSA-N	309.389	1.825	50	20	DDGD	
C[C@@H]1CCC[C@]1(O)CNC(=O)/C(C#N)=C\c1ccc(O)cc1	294133699	KVQJJBVGEOPHGO-XVYOSBKQSA-N	300.358	1.966	50	20	DDGD	
CC(C)(C)OCCCC(=O)NNC(=S)Nc1ccccn1	803204404	KOGTUZVCMHRGIO-UHFFFAOYSA-N	310.423	1.995	50	20	DDGD	
CC(C)C(=O)N1CCCC[C@H]1C(=O)NNc1ncncc1F	293982006	LABUZORQHLHQLF-NSHDSACASA-N	309.345	1.096	50	20	DDGD	
O=C(CCc1ncc[nH]1)NNC(=O)Cn1ccc2ccccc21	806795605	FSXZVHOBUJYUGY-UHFFFAOYSA-N	311.345	1.145	50	20	DDGD	
CCc1ccc(CNC(=O)NNC(=O)[C@H]2CCCCO2)s1	296223805	JMMIDXHGAPAPSU-GFCCVEGCSA-N	311.407	1.710	50	20	DDGD	
CCCN(CC)C[C@@H](C)NC(=O)NNc1nc(C)cc(OC)n1	290963553	NTSAVURBRVNULC-GFCCVEGCSA-N	324.429	1.540	50	20	DDGD	
CCCN(CC)C[C@@H](C)NC(=O)NNC(=O)c1ccc(C)o1	290891075	GVJOOOMRMJJCAW-LLVKDONJSA-N	310.398	1.652	50	20	DDGD	
COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NNc2nnc[nH]2)c1	293936509	NWCPJITYKWSYQL-ONGXEEELSA-N	303.322	1.069	50	20	DDGD	
C[C@@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)c1ccccc1F	298153391	YRPBEVACTOTTEV-SECBINFHSA-N	309.341	1.138	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C[C@H]1CCC[C@@H]1C	807372008	YOMSUXURCMPHNC-NWDGAFQWSA-N	300.399	1.749	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1	295053440	UTJCQQSXRXGHPX-JTQLQIEISA-N	320.176	1.719	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)cn1	802000111	OXQMFXZMTBTZOS-UHFFFAOYSA-N	307.260	1.530	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NN=Cc2cnn(C)c2N)c1C	814748336	KITUTQYYKQOZHX-LBPRGKRZSA-N	315.377	1.537	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)NCC(F)(F)F)n1C	814812294	PFTCKYFCPCVERW-UHFFFAOYSA-N	306.244	1.007	50	20	DDGD	
COC(=O)c1cc(C(=O)NNC(=O)c2ccccc2F)c[nH]1	814204680	LCJZDBSDHRCSLZ-UHFFFAOYSA-N	305.265	1.015	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2cc(Cl)nc(Cl)c2)CCN1	819746735	FBVUSHWXGWPZDE-LURJTMIESA-N	303.149	1.358	50	20	DDGD	
CON1CCC(NC(=O)NNc2ncnc3ccsc23)CC1	817173743	SOEJTCRCYSEYSZ-UHFFFAOYSA-N	322.394	1.343	50	20	DDGD	
C[C@H]1C(=NNC(=O)c2cnccn2)CC[C@H](C(=O)O)C1(C)C	814793469	GFKLUAHRLPLYNM-VHSXEESVSA-N	304.350	1.719	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)C(=O)Nc1cccc(F)c1	815728660	OABVJEFLSUJVMP-UHFFFAOYSA-N	308.700	1.956	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)CNc2ccccc2OC)C1	819801652	NVPKCIZUWPLQMW-UHFFFAOYSA-N	319.361	1.552	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)Cc2ccccc2OC)C1	819805846	DEMFMXHEVMSXOW-UHFFFAOYSA-N	304.346	1.683	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=C1CCN(CCC(F)(F)F)CC1	814958059	XFVHGHPDYURPGX-UHFFFAOYSA-N	317.315	1.473	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=S)NCC2CCC2)c1	727270403	KZPMKBIRIDHWCF-UHFFFAOYSA-N	307.419	1.669	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)c2cccc(N(C)C)c2)nc1	728800756	LHCGPAISWPATQQ-UHFFFAOYSA-N	308.341	1.204	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1c(F)cccc1-n1cccn1	823762820	LUAMYEITALYRGR-UHFFFAOYSA-N	319.340	1.756	50	20	DDGD	
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NN(C)[C@@H](C)CO	823987379	GXSXQPMMEDSHKE-QWRGUYRKSA-N	300.786	1.760	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cnn(-c2ccccc2Cl)c1	495625341	KWJONKMBEBBPIW-UHFFFAOYSA-N	308.725	1.869	50	20	DDGD	
CN(CC(=O)NNC(=S)NCC1CCC1)CC(C)(C)C	824328553	VFROKGAGMBKOEX-UHFFFAOYSA-N	300.472	1.260	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCC2(N(C)C)CC2)cc(C#N)n1C	490977840	UWODRIQZEZKPMA-VGOFMYFVSA-N	311.389	1.323	50	20	DDGD	
Cc1ccc(C=NNC(=O)NCCNC(=O)OC(C)(C)C)nc1	493645279	PURBDCMFQMMBBB-UHFFFAOYSA-N	321.381	1.548	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC[C@@H]1C1CCCC1	827314458	DDXJBZJDESHPLQ-FPMFFAJLSA-N	309.410	1.807	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NNC(=O)c1ccccn1	490907106	GRJGHMBTQHNYEM-XFXZXTDPSA-N	308.297	1.155	50	20	DDGD	
CC(=NNC(=O)c1ncccn1)C1CN(C(=O)OC(C)(C)C)C1	497236193	LKRYRGAKBMQPCJ-UHFFFAOYSA-N	319.365	1.449	50	20	DDGD	
COc1cc(C=NNC(=O)Cc2cccnc2)cc(OC)c1O	728784204	BEVNSZDQAWPOOJ-UHFFFAOYSA-N	315.329	1.497	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1n[nH]c2ccccc12	728076195	XRPAKKBDQXLNTI-UHFFFAOYSA-N	321.300	1.765	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H](C)OCCc1ccccc1	822777257	BIYGLTRRYYHQPK-CYBMUJFWSA-N	307.394	1.765	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C/c1ccc(OCC(=O)OC)cc1	490839025	BYRICQYKJRJRCT-UKTHLTGXSA-N	300.314	1.448	50	20	DDGD	
CC(=NNC(=O)CCNC(=O)OC(C)(C)C)[C@@H]1CCCOC1	495276047	LFRNNHOPSHDCGK-GFCCVEGCSA-N	313.398	1.820	50	20	DDGD	
Cc1cc(C(=O)NN(C)[C@H](C)CO)ccc1Br	823939048	FIFNITPMTGCJJU-SECBINFHSA-N	301.184	1.715	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C2[C@@H]3CCC[C@@H]23)o1	820202210	FIDQZWRLRFPYJY-HTQZYQBOSA-N	317.353	1.467	50	20	DDGD	
CO[C@H](C)CNC(=O)NNC(=O)COc1ccc(C)c(C)c1	821721840	ASYIAGLTWSIFOF-GFCCVEGCSA-N	309.366	1.048	50	20	DDGD	
CCNC(=O)NNC(=S)NCCCN(C)c1ccccc1	726483133	RBGGXLYTJANYEA-UHFFFAOYSA-N	309.439	1.211	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](CC)C(=O)NC)cc1	491008174	HNHOWYYTMMWGMX-VSKPTYQZSA-N	315.373	1.633	50	20	DDGD	
CC(C)(O)[C@@H](Oc1ccccc1)C(=O)NNC(=O)C1CCC1	827215864	FVTYXRMFTMOKPI-ZDUSSCGKSA-N	306.362	1.152	50	20	DDGD	
Cc1ccc(-n2nc(C(=O)NN(C)[C@H](C)CO)cc2C)cc1	823939080	FNBWBCXTQGTZID-CYBMUJFWSA-N	302.378	1.447	50	20	DDGD	
CCc1ccc([C@H](COC)NCc2ccc(B(O)O)cc2F)o1	585027590	BUSRXWJLSQJUBH-HNNXBMFYSA-N	321.157	1.138	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)C1=CCCCCC1	496712459	LTTVFNBNQKNSPU-UHFFFAOYSA-N	311.382	1.549	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)/C=C/[C@H]2CCOC2)c1F	493685344	KKOMCXULBISLLB-PORFMDCZSA-N	308.309	1.648	50	20	DDGD	
CC(C)[C@@H](C)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C	496487946	BGANUULQMIHBBF-SNVBAGLBSA-N	316.402	1.134	50	20	DDGD	
O=C(CCOc1ccccc1)NNc1ccc(-c2nn[nH]n2)cc1	826408249	XDHGKBCMWIOUGD-UHFFFAOYSA-N	324.344	1.779	50	20	DDGD	
CC(C)(C)OC(=O)N(CC(=O)NNc1ncccn1)C1CC1	495781612	FQRDSHSWWDPSPV-UHFFFAOYSA-N	307.354	1.319	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)[C@@]2(C)C[C@@H]2Br)CN1C1CC1	906942542	UPMUFWPNMPIRCF-KOVQTIFSSA-N	301.228	1.901	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)CC(N)=O)c1C	491174500	HPDZFGASMSWCAQ-ZRRZQRFHSA-N	316.405	1.802	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)NCC1CC1)N1CCc2ccccc2C1	736072302	GDAYDTPRPFYUFZ-LBPRGKRZSA-N	316.405	1.174	50	20	DDGD	
CN(CCNC(=O)NN=c1sc2ccccc2n1C)C1CC1	732891343	DYHDVTUTJLJMRI-UHFFFAOYSA-N	319.434	1.449	50	20	DDGD	
COCCN(C)NC(=O)c1cnn(-c2ccc(F)cc2F)c1C	837621973	OTOQCCWVJSRDHO-UHFFFAOYSA-N	324.331	1.682	50	20	DDGD	
CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)NNC(=O)C1CCC1	735687661	QRMRRFJSCILOFU-QWHCGFSZSA-N	311.426	1.958	50	20	DDGD	
CC(=O)N[C@H](CCC(C)C)C(=O)NNc1cccc([N+](=O)[O-])c1	830762703	VPCYVIUOEIPGTG-CQSZACIVSA-N	322.365	1.979	50	20	DDGD	
O=C(CN1CCCc2ccccc2CC1)NNC(=O)C1CC1	831920899	ZHBNBYPIXDNJTF-UHFFFAOYSA-N	301.390	1.035	50	20	DDGD	
CCOC(=O)NN=C(C)c1ccc(S(=O)(=O)N(C)C)cc1	490636652	UGCARTBMFBFIIE-UHFFFAOYSA-N	313.379	1.407	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@H]2CCCC2(F)F)o1	836604508	UUMKWCSOFKSCPL-VIFPVBQESA-N	301.293	1.967	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cc3occc3s2)n1	736065274	AMFALXGZTAGWEV-UHFFFAOYSA-N	318.358	1.769	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)C1C[C@@H]2CCC[C@H](C1)C2=O	833255579	GQHXALSWLNHSDY-ZGVCCVRISA-N	308.378	1.098	50	20	DDGD	
CCC(CC)N1C[C@H](C(=O)NNC(=O)CC(F)(F)F)CC1=O	731808249	MVBADPBSALASQU-MRVPVSSYSA-N	323.315	1.123	50	20	DDGD	
CC(=O)c1csc(C(=O)NNC(=O)NCc2ccco2)c1	730216270	VLRMVFJXSKOZMG-UHFFFAOYSA-N	307.331	1.688	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@H](C)C(=O)O)cc1	737194781	JPUZRENKQPLFBN-ZWSXMNCCSA-N	302.330	1.829	50	20	DDGD	
C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CCCC12CCCCC2	834953560	JQWSBNGMHWKSSV-LLVKDONJSA-N	315.439	1.531	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CSCC(C)=O)ccc1F	837035528	CFPZMKACJRVARR-UHFFFAOYSA-N	314.338	1.378	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(F)(F)Oc1ccc(C=O)cc1	731597790	QVRGEOWLGXZCRV-UHFFFAOYSA-N	300.261	1.274	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@@H]1CC[C@H](C(N)=O)C1	837134202	DEXGQXLBYRUPQZ-DJLDLDEBSA-N	305.216	1.566	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1cccc2c1OCCO2	836317520	HRPUNPAQCFUMHQ-GFCCVEGCSA-N	321.333	1.180	50	20	DDGD	
CO[C@@](C)(C(=O)NNc1ncccc1C)C(=O)OC(C)(C)C	834348814	UDJLUEBLKBGILD-HNNXBMFYSA-N	309.366	1.580	50	20	DDGD	
C[C@@H]1CC[C@@H](CNC(=O)NNc2ncnc3ccsc23)O1	838746453	VIQUKBZTQUBPLS-BDAKNGLRSA-N	307.379	1.885	50	20	DDGD	
OB(O)c1ccc(OCc2noc(C3CCCCC3)n2)cc1	584910754	SQWSOASYRUZFFJ-UHFFFAOYSA-N	302.139	1.376	50	20	DDGD	
COc1ncc(C(=O)NNC(=O)c2c[nH]c3ccccc23)cn1	733949246	IEPDEGCIDGNWAG-UHFFFAOYSA-N	311.301	1.041	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@@H]1C[C@H]1C1CCNCC1	831394601	PCVRYFSCZPSCIQ-WDEREUQCSA-N	317.418	1.770	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@H]2CC[C@H](C)O2)cc1	838738788	GAACQUNXXXILKP-SMDDNHRTSA-N	305.378	1.761	50	20	DDGD	
CCn1ccnc1[C@H](C)NC(=O)NNc1nccc(OC)n1	838687924	NNEOAFMGUFVURT-VIFPVBQESA-N	305.342	1.089	50	20	DDGD	
Cc1noc([C@@H](C)NC(=O)c2c(C)nn(CCCl)c2C)n1	733875542	AOLYRFBKWVXHHS-MRVPVSSYSA-N	311.773	1.921	50	20	DDGD	
O=C(NC[C@@H]1CCCC1(F)F)NNC(=O)c1ccccc1O	838674482	USLLIXIRWABCIZ-VIFPVBQESA-N	313.304	1.772	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCSC[C@@H]1C1CC1	831778522	QVKFKIPITUJIPQ-WCQYABFASA-N	313.467	1.396	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1CNC(=O)NNC(=O)C1CCC1	732239901	FVECEUWSUVETII-UHFFFAOYSA-N	322.321	1.234	50	20	DDGD	
C=CC(C)(C)CNC(=O)NNc1ccc(-n2cccn2)nn1	838666250	XVROBYJFVZWPHX-UHFFFAOYSA-N	301.354	1.501	50	20	DDGD	
CCc1c(C(=O)NN(C)C[C@H](C)O)cnn1-c1ccc(F)cc1	910174181	RYORPBOGEUTJQE-NSHDSACASA-N	320.368	1.531	50	20	DDGD	
O=C(NNc1ccncn1)N[C@@H]1CC[C@H]2SCCS[C@@H]12	836378457	HSLVYQKLNASLCS-KKZNHRDASA-N	311.436	1.482	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NCCCCCCN)cc1	831291829	QYEASVGFIIZZCB-UHFFFAOYSA-N	323.397	1.550	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H](C)[C@H](OC)C2CC2)n1	836642351	RXQAKIMAMYVGQG-CABZTGNLSA-N	309.370	1.233	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)C[C@@H]2C[C@H]3CC[C@H]2O3)n1	839703712	IUDXVQVHGPSMSR-YNEHKIRRSA-N	319.409	1.724	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)CCC(N)=O)C1	912579138	QFSJSRYVUOAMMS-NSHDSACASA-N	300.475	1.875	50	20	DDGD	
O=C(NN=Cc1cnc2cnccn12)[C@H]1COc2ccccc2O1	746366572	PPTOEKOGRUOAHT-CQSZACIVSA-N	323.312	1.019	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCCC[C@@H]1C=NNC1=O	912471176	YVYQZBKFUJQRCN-FMNNIJNLSA-N	314.320	1.361	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc1	745857116	HNMYBFZQYCBWNC-WFASDCNBSA-N	318.421	1.676	50	20	DDGD	
CCCCC[C@H](O)C(=O)NNc1ccc(CC(=O)OC)cc1	846377449	UYJQABSYMSFNBP-AWEZNQCLSA-N	308.378	1.786	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)Cc1ccccc1OC)C(C)C	743637417	KKTOGRIWTCTDKK-CYBMUJFWSA-N	323.393	1.239	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)[C@@H]1CCCCO1)c1ccccc1F	842151711	YGKFLDGNFSFVHS-STQMWFEESA-N	310.325	1.230	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C2CC3(CCC3)C2)cc1	844128548	OGBXUAJOWQZIJA-UHFFFAOYSA-N	317.389	1.835	50	20	DDGD	
C[C@H]1CN(C[C@@H](C)C(=O)NN=Cc2ccccc2)C[C@@H](C)O1	916372276	PPKFWEZDSAVZJW-KFWWJZLASA-N	303.406	1.882	50	20	DDGD	
O=C(NNC(=O)c1ncccn1)c1ccc(Br)cc1	743283197	XTKYYVXNFMVNOI-UHFFFAOYSA-N	321.134	1.314	50	20	DDGD	
CC(=O)c1cc(NC(=O)C(=O)NNC(=O)C2CCC2)ccc1C	847505156	UJUQBJLPFLEXDO-UHFFFAOYSA-N	317.345	1.084	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=C1CCc2c1cccc2[N+](=O)[O-]	848413109	KGAPGGRYIYCCHI-VHSXEESVSA-N	303.318	1.786	50	20	DDGD	
CCN(CC)CC(=O)NNC(=O)COc1ccc(C)c(C)c1	746819964	NLLKWIXQESJDMD-UHFFFAOYSA-N	307.394	1.171	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(F)c(Cl)cc1F	843659640	IHORWHVFPKKZAM-BQBZGAKWSA-N	318.707	1.804	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)N1CCO[C@@H](CF)C1	841576886	HMTYUHQCXZTRLV-AWEZNQCLSA-N	323.368	1.420	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)NC2CC2)CC1)c1cccc(Cl)c1	749715044	HXLORPRXCJCOCO-UHFFFAOYSA-N	321.764	1.160	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)C(=O)NC2CC2)C12CCCCC2	741462217	LNKDHGCGCDHEBN-CYBMUJFWSA-N	307.394	1.497	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cccc(C(F)(F)F)c1O	847401601	ILGBCKRZAYLKHK-UHFFFAOYSA-N	305.256	1.763	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)Cc2ccncc2)cc1	747672078	MAXUZRCOESZENL-UHFFFAOYSA-N	300.387	1.950	50	20	DDGD	
CC(C)(CNS(=O)(=O)CBr)c1cccnc1	841568353	UOKWBUCZAZLICX-UHFFFAOYSA-N	307.213	1.631	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCC[C@]1(O)CCCOC1	845719431	UYYGGDXTGVGMLB-OAHLLOKOSA-N	311.357	1.692	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)[C@H]1CCCS(=O)(=O)C1	928337424	QTAAEVUGNNWRJY-JTQLQIEISA-N	316.810	1.916	50	20	DDGD	
CSSCCNC(=O)N1[C@H](C)C(=O)N(C)[C@H](C)[C@H]1C	922390258	PTGRJBVYJYIISZ-OPRDCNLKSA-N	305.469	1.647	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cccc(NC(=O)[C@H](C)OC)c1	756230647	YCCIELJTBGOBQH-VIFPVBQESA-N	308.338	1.223	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccc([C@H]2CCCN(C)C2)c1	857169295	QONZGQNSDBHMCK-HNNXBMFYSA-N	318.421	1.802	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(O[C@@H]2CCOC2)cc1	853295745	RPBCUDXLPNCONQ-OAHLLOKOSA-N	321.377	1.524	50	20	DDGD	
CC(C)CCOC1CCN(C(=O)NNC(=O)c2cn[nH]c2)CC1	858704643	UPHMKEPBIIGSPS-UHFFFAOYSA-N	323.397	1.291	50	20	DDGD	
CC1=NO[C@@H](C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)C1	854381387	JGIFEDSQPFDPPT-GFCCVEGCSA-N	305.338	1.070	50	20	DDGD	
CCC(C#N)(CC)C(=O)NNC(=O)COc1ccc(F)cc1	858144151	HQVXUSYQYCKNNW-UHFFFAOYSA-N	307.325	1.682	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)CC[C@@H](C)SC	854284137	XTWDSBVIWOMZRD-SNVBAGLBSA-N	307.485	1.392	50	20	DDGD	
CCOC(=O)NCC(=O)NNC(=S)Nc1cccc(C)c1C	920437178	RMLMVZSOOYFFKA-UHFFFAOYSA-N	324.406	1.367	50	20	DDGD	
C[C@@]1(CNC(=O)C2CCS(=O)(=O)CC2)C[C@@H]1Br	857399570	XDGOGLYMRORDHU-ONGXEEELSA-N	324.240	1.101	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)c2ccc(N)cc2)C[C@H]1Br	856754695	MASQIQZNMCTADF-MNOVXSKESA-N	319.224	1.721	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H](CN1CCCC1)c1ccccc1	854214686	QSSFNGIUNKKEGM-OAHLLOKOSA-N	303.406	1.669	50	20	DDGD	
CCO[C@@H](C)c1ncc(C(=O)NN(C)C(=S)NC)s1	854924694	NXAONCJNVFLUAO-ZETCQYMHSA-N	302.425	1.322	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCC(F)(F)C1)c1cccc(F)n1	856427190	RFHCRGSRCQPIBJ-QMMMGPOBSA-N	301.268	1.807	50	20	DDGD	
Cn1[nH]c(CN2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)nc1=O	852524999	REOHREIBCLWJSJ-NSHDSACASA-N	312.490	1.705	50	20	DDGD	
Cc1cc(=NC(=O)NNC(=O)c2ccccc2F)c(C)c[nH]1	757811812	ZCZHVBVMQLJZOY-UHFFFAOYSA-N	302.309	1.726	50	20	DDGD	
CC(=O)c1cccc(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	923098195	REVYSIWEDPXOIG-SMDDNHRTSA-N	319.361	1.145	50	20	DDGD	
CCOC(=O)CC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	751336217	MDYXZALMFJYGBM-UHFFFAOYSA-N	301.686	1.645	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC)c1ccc(Br)cc1	858748776	YTLYRHFJVCDPPE-JTQLQIEISA-N	314.183	1.903	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=S)N[C@H](C)C2CC2)cc1O	855099143	SHXPUJZNHHNKHY-SNVBAGLBSA-N	307.419	1.537	50	20	DDGD	
Cn1nncc1NNC(=O)CCc1cccc(Br)c1	857271107	AUYHMMFTDKIVFG-UHFFFAOYSA-N	324.182	1.654	50	20	DDGD	
C[C@@H]1C[C@@H](CCNC(=O)NNC(=O)c2cccc(F)n2)CCO1	852251640	YQAJPYCJHCUGNG-MNOVXSKESA-N	324.356	1.370	50	20	DDGD	
Nc1cc(C(=O)NNC(=S)NCC2CCC2)cc(Cl)n1	855091398	OAMQTVLENMJPDF-UHFFFAOYSA-N	313.814	1.226	50	20	DDGD	
CCN1CCCC[C@@H]1CNC(=O)NNC(=O)c1cc(C)cs1	858212849	WJNIYGLJTYSSIV-GFCCVEGCSA-N	324.450	1.875	50	20	DDGD	
O=C(CCC[C@@H](O)c1ccccc1)NNC(=O)[C@H]1CCCCO1	854682421	AMCLOGWFQPOYMH-HUUCEWRRSA-N	320.389	1.607	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccccc1OCC(F)F	757692688	PBURSMZPJJBJBI-UHFFFAOYSA-N	303.265	1.130	50	20	DDGD	
CCC[C@@H]1C[C@H]1NC(=O)NNC(=O)c1ccc(OC)c(OC)c1	752020941	YNQGGKQPDFPHHI-ZYHUDNBSSA-N	321.377	1.836	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)N2CCc3ccccc3C2)CC1	759082027	QMFOAXLJBTVAEE-UHFFFAOYSA-N	303.387	1.445	50	20	DDGD	
COC(=O)c1oc(C=NNC(=O)Cc2csc(C)n2)cc1C	853272953	VWLSQSXPAHDECO-UHFFFAOYSA-N	321.358	1.832	50	20	DDGD	
CCC(CC)N1C[C@H](C(=O)NNc2cccc(C)n2)CC1=O	862523468	FIGMSVOIKZPIJF-GFCCVEGCSA-N	304.394	1.870	50	20	DDGD	
COCCOCC(=O)NNC(=O)/C=C/c1ccc(Cl)s1	869901794	YYQUKOPZRKFNBR-HWKANZROSA-N	318.782	1.225	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=CC1Cc2ccccc2C1	766452952	KLXKWXMHBOMPGM-UHFFFAOYSA-N	322.368	1.328	50	20	DDGD	
COC(=O)[C@@H](NC(=O)[C@H](Br)C(C)(C)C)C1CC1	768208481	OIGUCRGFZDLQEJ-IUCAKERBSA-N	306.200	1.864	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccc(Cn2cccn2)o1	760907646	BDGMEFVDLPMTCA-UHFFFAOYSA-N	302.269	1.210	50	20	DDGD	
O=C1NCCC[C@H]1C(=O)NNc1ccccc1Br	866869331	ZFPHUMNSSCXBES-MRVPVSSYSA-N	312.167	1.418	50	20	DDGD	
Cc1ccc([C@H](C)[C@H](O)C(=O)NNC(=O)c2cccn2C)cc1	764634249	VVZWSOZZXIESOR-WFASDCNBSA-N	315.373	1.259	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)Nc1ccc(C2CC2)cc1	764144790	RTORKNDVVJKUKR-UHFFFAOYSA-N	301.346	1.450	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2CCC2)cc1N1CCOCC1	865700884	BJVYJHXJGYCDLG-UHFFFAOYSA-N	317.389	1.393	50	20	DDGD	
C[C@H](C(=O)NNC(=O)NCC1CC1)n1ccc(C(F)(F)F)n1	865015639	FJMHBFRFPFYVBH-SSDOTTSWSA-N	319.287	1.203	50	20	DDGD	
Cn1c(/C(C#N)=C/c2cn(CC(=O)O)nn2)nc2ccccc21	768850023	XETCQKIMBABSRW-UXBLZVDNSA-N	308.301	1.314	50	20	DDGD	
CC(=O)Nc1ccccc1CC(=O)NNc1nccnc1Cl	769983762	ICDRERVXZPMVRE-UHFFFAOYSA-N	319.752	1.774	50	20	DDGD	
CNC(=O)NNC(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@H]21	864993573	YPIMPFYJOCPGNQ-GMTAPVOTSA-N	324.178	1.295	50	20	DDGD	
COc1cc(C=NNC(=O)c2cc(C)[nH]n2)c([N+](=O)[O-])cc1O	764795228	OATAUPNWUPQCGR-UHFFFAOYSA-N	319.277	1.104	50	20	DDGD	
CCC(=O)NNC(=O)c1cc(-c2ccc(OC)c(OC)c2)[nH]n1	768279857	UNACVTYPGKCHBA-UHFFFAOYSA-N	318.333	1.265	50	20	DDGD	
CC(C)(C)[C@]1(CN)CCN(S(=O)(=O)CBr)C1	866814278	OKNIYEQHHZVDIG-JTQLQIEISA-N	313.261	1.366	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)NNc1cccc(F)c1Cl	862506308	SKQLLUHZUGHSQK-UHFFFAOYSA-N	322.789	1.993	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(O)nc2ccccc12	764466022	RXNAUAMRUSDEPX-UHFFFAOYSA-N	311.301	1.496	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC(F)(F)[C@H](CO)C1	867287400	DWMDVTSSSKGHBD-VIFPVBQESA-N	319.801	1.531	50	20	DDGD	
C[C@H](O)c1ncc(C(=O)NNCC(F)(F)C(F)(F)F)s1	863098595	PESJNRRMJHHNHL-BYPYZUCNSA-N	319.255	1.628	50	20	DDGD	
C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C/C=C/C#N)C1=O	763299397	ITEBTMZKJWWEHY-BAABZTOOSA-N	300.274	1.442	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N(C)C)c(F)c1	873803693	POHHFYBEWJQDRW-VIFPVBQESA-N	324.356	1.024	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1c(O)cccc1Cl	769732112	GTGPWOIKRUKJGG-UHFFFAOYSA-N	309.709	1.783	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1cnn(Cc2ccccc2)c1	760257844	AICPLFCLQGLJIM-UHFFFAOYSA-N	322.372	1.819	50	20	DDGD	
O=C(CN1CCC[C@H]1CCC1CCCC1)NNC(=O)C1CC1	767902050	LBWPKGHQSNOFHU-HNNXBMFYSA-N	307.438	1.979	50	20	DDGD	
CN(C)c1ccncc1C=NNC(=O)COc1ccc(F)cc1	776179482	UNNIBWXZFRGHAP-UHFFFAOYSA-N	316.336	1.816	50	20	DDGD	
COc1cccc(OC)c1CNC(=O)NN=c1cc[nH]c(C)c1	875728589	XHAGURDUINXHRA-UHFFFAOYSA-N	316.361	1.655	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC=C(C#N)CC1	779587524	OLQRGUWYABUPGN-UHFFFAOYSA-N	300.318	1.997	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)c2nc3ccccc3s2)C1	874913254	ALIYQYUQDJCTAX-UHFFFAOYSA-N	319.386	1.872	50	20	DDGD	
CC[C@H](NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)C(=O)O	776632063	ZAEPGWVUQAEVMI-PHGLEFOZSA-N	304.184	1.920	50	20	DDGD	
CCN([C@@H](C)C(F)(F)F)[C@H](C)C(=O)NNC(=O)CC(C)C	879357385	JIZCPKHWJKQYNJ-ZJUUUORDSA-N	311.348	1.841	50	20	DDGD	
CCn1c(C(C)=NNC(=O)COCCOC)nc2ccccc21	872402215	WZBWWQFFCUFRDX-UHFFFAOYSA-N	318.377	1.559	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCc1csc(C(C)(C)C)n1	875436702	IEUALYWCSKSRTH-UHFFFAOYSA-N	314.411	1.896	50	20	DDGD	
Cc1ccsc1CCNC(=O)NNC(=O)c1ccccc1O	774294270	DYUCDIPDNCLHKE-UHFFFAOYSA-N	319.386	1.949	50	20	DDGD	
C[C@]1(CNC(=O)NNc2ccc(C#N)cn2)C[C@@H]1Br	889411080	MAMMIFJYCNZHOO-JOYOIKCWSA-N	324.182	1.753	50	20	DDGD	
C[C@H](C(=O)Nc1sccc1C(N)=O)N1CC=C(C#N)CC1	779590326	OMJNNMJQWUNBBH-SECBINFHSA-N	304.375	1.330	50	20	DDGD	
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCCSC#N	773588637	PUHYGBCOWCGCIQ-UHFFFAOYSA-N	308.363	1.995	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCc1cnccn1)c1ccccc1	1122388387	ABKJFQJMULRXSY-AWEZNQCLSA-N	313.361	1.501	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2csc(C)c2)n1	880640648	RTNQFJHPIHVGGB-UHFFFAOYSA-N	307.379	1.723	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)c1c[nH]nc1C1CC1	789727389	LHHCRBVXIGMHNJ-UHFFFAOYSA-N	318.308	1.266	50	20	DDGD	
CCCNC(=O)NNC(=S)NCCCCCCSC	782197450	JZRLZBHUFNNGIZ-UHFFFAOYSA-N	306.501	1.998	50	20	DDGD	
Cc1nc(CC(C)C)c(C(=O)NNC(=O)c2cccnn2)s1	882057380	ANPJKRMQIWMCFS-UHFFFAOYSA-N	319.390	1.515	50	20	DDGD	
C[C@@](O)(CC(=O)NNC(=O)Cc1cccnc1)c1ccccc1	780930316	MSKFGFFLBWVKBG-QGZVFWFLSA-N	313.357	1.069	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1cscc1Cl	880976911	ILMHTUZZIVWYOT-SSDOTTSWSA-N	321.786	1.606	50	20	DDGD	
O=C(NN=Cc1cc(Cl)cs1)[C@@H]1CCS(=O)(=O)C1	782185015	OATIDIFAAUTPMX-SSDOTTSWSA-N	306.796	1.286	50	20	DDGD	
COc1cc(NNC(=O)NCCc2ccn(C)n2)ccc1Cl	789187910	HWGJLPDSMSTSKI-UHFFFAOYSA-N	323.784	1.951	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCCCl)c1nc(C(F)(F)F)no1	882275890	DVEAKDMUAZOZDS-RXMQYKEDSA-N	321.708	1.698	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCn2cc(Cl)cn2)c1	781034426	GUFGFHOPDDNYSI-UHFFFAOYSA-N	322.752	1.857	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H](C(=O)NNC(=O)NC2CCCC2)C1(C)C	780508548	LECYZOFZBDDIHM-ZYHUDNBSSA-N	309.410	1.901	50	20	DDGD	
O=C(NN=Cc1cnc(-c2ccco2)s1)C(=O)NC1CC1	782180267	VLEOQIRJIGKMFP-UHFFFAOYSA-N	304.331	1.132	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1ccc2cncn2c1	785701987	PAKAJMCWKRRTAO-UHFFFAOYSA-N	312.304	1.477	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNc2cc(C)ncn2)cc1C	783945393	XPGWGEVJAKMXKB-UHFFFAOYSA-N	313.361	1.738	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@H]1C(=O)NNc1ncncc1Cl	781820183	NPHKTZJBQKPYBL-PRHODGIISA-N	320.736	1.802	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ccnc(C2CC2)n1	780732260	NRZCCCPSSCHKGR-UHFFFAOYSA-N	312.329	1.898	50	20	DDGD	
C[C@@H]1CCN(CCNC(=O)NNC(=O)Cc2ccccc2F)C1	897432449	JZELHQGXPAGEFK-GFCCVEGCSA-N	322.384	1.040	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@@H](C)NC(=O)c1ccoc1	788188504	ADIPSUAJDBMXRH-SECBINFHSA-N	321.308	1.689	50	20	DDGD	
CSC1(C(=O)NNC(=O)NCCc2cccs2)CCC1	787206377	GXOHKIXMEMBMBC-UHFFFAOYSA-N	313.448	1.907	50	20	DDGD	
CN1C[C@H](NC(=O)NNc2ccc(C(C)(C)C)cc2)CC1=O	780839586	CEQNQKCAVDAMFY-CYBMUJFWSA-N	304.394	1.841	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2cc(Br)nn2C)n1	794567985	UNIALXAWOJKQJQ-UHFFFAOYSA-N	322.166	1.650	50	20	DDGD	
COc1cc(C#N)ccc1C(=O)NNC(=O)CC1CCCC1	893801342	GHJOPKJQTJNECB-UHFFFAOYSA-N	301.346	1.908	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H](C)C(C)(C)CN(C)C)n1	792991673	CLHCVUNGFPDHHQ-GFCCVEGCSA-N	321.425	1.310	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cscc1Br	794929709	YMEHGBKQQCXVOV-UHFFFAOYSA-N	320.168	1.317	50	20	DDGD	
CSCCNC(=S)NNC(=O)C(C)(C)C1CCOCC1	797748804	MOPVYXVOSVRZEV-UHFFFAOYSA-N	319.496	1.298	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2ccoc2CC)nc1C	797749840	AUOOMADLXCKQJZ-UHFFFAOYSA-N	318.333	1.874	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCN1C1CCCC1)c1ccc[nH]1	798153139	JLKODWNFMQAJCQ-AWEZNQCLSA-N	304.394	1.573	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1c(F)ccc(O)c1F	794519928	PUKQEVPYGVHSBV-QMMMGPOBSA-N	302.277	1.172	50	20	DDGD	
N#Cc1cccc(-n2ccc(C(=O)NN=c3cc[nH]cc3)n2)c1	798988631	IAFQOIFNVBJOOK-UHFFFAOYSA-N	304.313	1.318	50	20	DDGD	
C[C@H]1CCC[C@@H](OCC(=O)NNc2nncc(N)c2Cl)C1	1319777384	QWOQCUZAMQPZQA-DTWKUNHWSA-N	313.789	1.751	50	20	DDGD	
CCOc1ccccc1C(=O)N1CCN(C(=O)CCl)CC1	1319785977	QXWHRFDLMBVUNW-UHFFFAOYSA-N	310.781	1.609	50	20	DDGD	
CC(C)(C)n1cc(NC(=O)C(=O)NNc2ccccn2)cn1	1320338257	HYGDWDHDHHWBOD-UHFFFAOYSA-N	302.338	1.115	50	20	DDGD	
Cn1nc(C(=O)NNC(=S)Nc2ccccn2)cc1C1CC1	1329865463	CCTBREKJRVLMCF-UHFFFAOYSA-N	316.390	1.324	50	20	DDGD	
Cc1cnn(CC2CC2)c1NC(=O)C(=O)NNc1ccccc1	1320047713	XZNKXHYADXLWJP-UHFFFAOYSA-N	313.361	1.683	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H](O)Cc1ccccc1Cl	1320492019	LSNHLPWALRACJR-LLVKDONJSA-N	315.826	1.147	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2c[nH]nc2C)cc1CC	1324906665	LUYNPADISAPEBW-UHFFFAOYSA-N	300.362	1.918	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCOC2CCOCC2)cc1	1252732229	ADVITELYRBTNOQ-UHFFFAOYSA-N	322.361	1.042	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C[C@H](N)c1ccccc1OCC	1340351183	OFWBVZDUXJYDRL-LBPRGKRZSA-N	308.382	1.168	50	20	DDGD	
CC(C)C1(O)CCN(C(=O)/C(C#N)=C\c2cnn(C)c2)CC1	1347616763	YDRMFFRVYCDSES-ZSOIEALJSA-N	302.378	1.337	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)NCC(F)(F)F)cc1	1353678938	NULOWDWJHLIOFR-UHFFFAOYSA-N	304.272	1.259	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCCc1ccsc1	1519760469	AZIGIQOJOGCBTJ-ZYHUDNBSSA-N	311.407	1.436	50	20	DDGD	
O=C(O)Cc1cccc(C(=O)NNC(=O)Cc2ccsc2)c1	1608783920	DKRPVWCYEKAKDC-UHFFFAOYSA-N	318.354	1.379	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)cccc1C(=O)O	1600053817	UZMLKUXFEADKPX-WQAKAFBOSA-N	305.334	1.639	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2Cc3cccnc3C2)cc1C(=O)O	1600462205	GJAYBVGSAJENPX-GFCCVEGCSA-N	311.341	1.946	50	20	DDGD	
O=C(O)CCC[C@H]1CCCC(=NNC(=O)[C@H]2COCCO2)C1	1608708950	BPJDYRBRTKPCTG-DGCLKSJQSA-N	312.366	1.319	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2(C(=O)O)CC=CC2)cc1F	1605252888	RJZISBUGINYSBX-UHFFFAOYSA-N	306.293	1.316	50	20	DDGD	
COc1cc(C(=O)NNc2cccc(C(=O)O)c2)ccc1O	1607079968	OSOKSOHOCGQFSL-UHFFFAOYSA-N	302.286	1.856	50	20	DDGD	
COc1cc(C(=O)NNc2ccc(C)cc2)ccc1-c1nn[nH]n1	1605196476	DJNDUXFCADVYCX-UHFFFAOYSA-N	324.344	1.941	50	20	DDGD	
Cc1ccc(NNC(=O)c2cn3c(n2)CCC3)cc1C(=O)O	1607809019	BHNCBCRBERVJGB-UHFFFAOYSA-N	300.318	1.593	50	20	DDGD	
CS[C@@H](C)CCC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1605367843	OMSDNAGKXYOIEB-QMMMGPOBSA-N	307.383	1.237	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NCCCCC(=O)O)cc1	1604820467	GNHLLJRXYHJAJA-UHFFFAOYSA-N	324.337	1.286	50	20	DDGD	
COCc1cc(C(=O)NNc2cccc(F)c2C(=O)O)no1	1606939835	KMDPZBNSJOWGEQ-UHFFFAOYSA-N	309.253	1.415	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)c1cnc(C2CC2)nc1O	1602473018	PTPKQRIHBOPFFF-UHFFFAOYSA-N	314.301	1.515	50	20	DDGD	
CCCCC(C)=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	1604159380	FFVIYXHIKCJWFI-UHFFFAOYSA-N	316.365	1.928	50	20	DDGD	
C[C@H]1CC[C@@H](CNC(=O)NNc2ccc(C(=O)O)cc2F)O1	1609847407	FXMJLAVUXNSXEG-WPRPVWTQSA-N	311.313	1.718	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cc(C2CC2)no1	1609559288	UCAYZEXUCVCLAM-UHFFFAOYSA-N	311.305	1.489	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccc(C)c(C(=O)O)c2)c(O)n1	1610484919	OKZSOMIYJRBERB-UHFFFAOYSA-N	301.302	1.859	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC[C@H](C(=O)O)CC1)c1ccccc1F	1610699748	CQVRRKJJADPFAZ-MGCOHNPYSA-N	308.309	1.478	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@H]1C=NNC(=O)c1ccncc1	1552448223	RGUNJPQMOJIDOE-ZFWWWQNUSA-N	313.361	1.699	50	20	DDGD	
CCn1cc([C@H]2OCC[C@@H]2C=NNC(=O)c2cccn2C)cn1	1552455164	XBQAVFXOTKLZEH-DOMZBBRYSA-N	315.377	1.735	50	20	DDGD	
C=C(CBr)CN1C[C@@H](C)OC2(CCNCC2)C1	1574848751	FLGMBPOXKIAYSU-GFCCVEGCSA-N	303.244	1.780	50	20	DDGD	
C#CC[C@@]1(C(=O)NNC(=S)Nc2cccc(C)c2)CCCN1	1574526199	ZAOBVHZJPZAUBZ-INIZCTEOSA-N	316.430	1.458	50	20	DDGD	
CN(N)C(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1	1573877879	YQCINACCMZBCRV-GFCCVEGCSA-N	311.357	1.766	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)Nc1ccc2c(c1)OCO2)[C@H](C)N	1575414713	RVHWBZVQMDHSKU-ZANVPECISA-N	322.365	1.187	50	20	DDGD	
O=C(C[C@H]1CCNc2ccccc21)NNC(=O)c1ccncc1	1580511651	WHUROMGYUUSQIN-CYBMUJFWSA-N	310.357	1.832	50	20	DDGD	
O=C(/C=C\[C@@H]1CCCNC1)NNC(=O)c1cccc2ncccc12	1580495260	YKXUZZGUWPZVCA-YXVBKTCISA-N	324.384	1.552	50	20	DDGD	
CC(C)[C@@H](S)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1841625041	JQZKMYZITJIZFE-NXEZZACHSA-N	322.833	1.679	50	20	DDGD	
Cc1cccnc1NNC(=O)NCc1ccc(C(=O)O)cc1	1594421486	ZSGORGMIABSEOK-UHFFFAOYSA-N	300.318	1.915	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C(=O)O)c1ccc(OC)c(O)c1	1596862110	MZGSZGADZSRQPO-FROQITRMSA-N	320.301	1.087	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)ccc1C(=O)NNc1ncccc1C	1591862997	GBGZDDDCZVGOQS-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)N[C@H]1CCC[C@H](F)C1	1593165991	PXKZKLCRROENIC-QWRGUYRKSA-N	319.344	1.774	50	20	DDGD	
COc1c(NC(=O)NNC(=O)C2CCCC2)cccc1C(=O)O	1599338932	BBAILUPJRZBXPB-UHFFFAOYSA-N	321.333	1.736	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccc(C(=O)O)cc2)ccc1O	1776099151	RVSNLZBPOGUXBP-UHFFFAOYSA-N	314.297	1.863	50	20	DDGD	
CN(C)C(=O)NN=Cc1c(O)c(C(=O)O)cc2ccccc12	1776039883	REOTWOOGPVMSIR-UHFFFAOYSA-N	301.302	1.849	50	20	DDGD	
O=C(Cc1ccccc1F)NN=Cc1ccc(C(=O)O)nc1	1776043286	DSFFEYNNHMOWIY-UHFFFAOYSA-N	301.277	1.612	50	20	DDGD	
CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)C	1795071443	VCTDMPBJPNJDHK-RNJOBUHISA-N	316.829	1.249	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NNc1ncnc2nc[nH]c12	161804845	HGGWUZJPVGJSIF-RKDXNWHRSA-N	314.374	1.970	50	20	DDGD	
C[C@H]1CC(=O)CC[C@H]1C(=O)NNC(=O)COCc1ccccc1	162558202	IKVXWDVOJYEVLH-SWLSCSKDSA-N	318.373	1.356	50	20	DDGD	
C[C@@H]1CC[C@@H](CC(=O)NNC(=O)COc2ccc(C#N)cc2)C1	164246157	OLWHOOYIKUIUPG-TZMCWYRMSA-N	315.373	1.911	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1	151148013	DJKGTFHBEXLMGX-UHFFFAOYSA-N	300.274	1.677	50	20	DDGD	
CC(=O)N1CCN(S(=O)(=O)CCCCCl)C(C)(C)C1	155004301	PGQBENNBJAJIPG-UHFFFAOYSA-N	310.847	1.278	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(-n3cccc3)c2)[nH]n1	153175810	SLESCADUMSLTKZ-UHFFFAOYSA-N	309.329	1.584	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1cccc(-n2cccn2)c1	155162557	AFSXACIYZKSSDU-RVDMUPIBSA-N	310.357	1.932	50	20	DDGD	
CC1CCN(CCCNS(=O)(=O)CBr)CC1	127078732	WZEYZVVJZBFZBI-UHFFFAOYSA-N	313.261	1.380	50	20	DDGD	
O=S(=O)(NCCN1CCCC1)c1ccc(CCCl)cc1	40446572	ZGHJLEPLVVLGRM-UHFFFAOYSA-N	316.854	1.842	50	20	DDGD	
CN(Cc1nnnn1C1CC1)NC(=O)OCc1ccccc1	859389102	AVUNGRCNEHEQBI-UHFFFAOYSA-N	302.338	1.281	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc(C)oc2C)cc1OC	6436544	CGWJEDUCJUVKCV-UHFFFAOYSA-N	318.329	1.988	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(NC(=O)C2CC2)cc1	8556085	PZCBKNITSYIINY-UHFFFAOYSA-N	303.362	1.842	50	20	DDGD	
CN(C)c1nc2sc(C(=O)NNc3ncccn3)cc2s1	53443247	PKMQBEYQQCTWCK-UHFFFAOYSA-N	320.403	1.971	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1c[nH]c2ncccc12	103060244	XRQPDWPNHBMSOP-UHFFFAOYSA-N	310.379	1.309	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)CO)c1C	178614728	ZUDQRGXDMIQFLE-UXYFDLPDSA-N	305.378	1.155	50	20	DDGD	
C[C@H](COc1ccc(F)cc1F)NC(=O)NNc1ncccn1	56897640	JWCZLOFXTLKYLM-SECBINFHSA-N	323.303	1.848	50	20	DDGD	
CCOc1ncccc1C(=O)NNC(=O)c1cccc(C#N)c1	103403108	SEWHYKPJNAAUPN-UHFFFAOYSA-N	310.313	1.427	50	20	DDGD	
C[C@@H]1C[C@H](CC(=O)NNC(=O)N2CCOCC2)CC(C)(C)C1	170757615	YICZRUXWJPCVAI-CHWSQXEVSA-N	311.426	1.912	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@@H](C)c2ccccc2)n1	119048481	GJZHLNTZEDKAQX-ZDUSSCGKSA-N	300.362	1.451	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)Cc2ccncc2)c1	175792418	SXEPYAOGCKGBOQ-UHFFFAOYSA-N	313.357	1.549	50	20	DDGD	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)NC1CC1	64429353	BHKATZXXZGBVEA-QMMMGPOBSA-N	324.362	1.568	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCCc1cccnc1	66908642	WNJNMEFSQGSVCW-UHFFFAOYSA-N	316.336	1.336	50	20	DDGD	
CN(C)CC[C@H](NC(=O)NNC(=O)c1ccc[nH]1)C(C)(C)C	116566648	VCZSGSWIWDKWJE-LBPRGKRZSA-N	309.414	1.325	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCS(=O)CC2)cc1	170982003	ASZZBNJCZPEYEX-SDNWHVSQSA-N	318.398	1.583	50	20	DDGD	
COCCCNC(=O)NNC(=S)Nc1ccc(OC)cc1	64937351	NIQFGMPWKQEYIJ-UHFFFAOYSA-N	312.395	1.232	50	20	DDGD	
Cc1ccc([C@@H](C)NC(=O)NNC(=O)c2cnn(C)c2)cc1	117959599	PDCKATZSOURRGG-LLVKDONJSA-N	301.350	1.434	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(-c3ccco3)[nH]c2=O)ncn1	172278773	GXEHKGDVYCJBQZ-UHFFFAOYSA-N	311.301	1.490	50	20	DDGD	
O=C(C[C@H]1CCc2ccccc21)NNC(=O)NCC(F)(F)F	115729176	KCTKVMXDWLUWHT-SNVBAGLBSA-N	315.295	1.999	50	20	DDGD	
CN(C[C@@H](O)CN1CCOCC1)/C(=C/C#N)c1ccccc1	177361938	RITLTWLWSYXMHW-XQDXXFRFSA-N	301.390	1.176	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)[C@@H]1Cc2ccccc2O1	178870000	MYGNAGBCRWCCBW-JTQLQIEISA-N	324.262	1.942	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)cc1)NNc1ccncc1Cl	176910414	IETDSLXVLNUVEE-UHFFFAOYSA-N	322.727	1.747	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc2cccnc12	124732813	JOFHDEYSSQMXMI-JTQLQIEISA-N	314.345	1.367	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(C)nc2c1cnn2C(C)C	122923735	LOJYMVFYGIBNQQ-UHFFFAOYSA-N	304.354	1.285	50	20	DDGD	
CC[C@@H]1C[C@H](C(=O)NNc2nccc(N(CC)CC)n2)CCO1	184208991	PXAZFRINIGWMMF-CHWSQXEVSA-N	321.425	1.971	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2cc(C)cc(C)c2)n1	181523570	UHMMSQSQTIGDPS-UHFFFAOYSA-N	314.345	1.789	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)CCOc1ccc(F)cc1	78237369	GRPOVDCCUHILEC-UHFFFAOYSA-N	318.370	1.201	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CC=CCC2)cc1	77641535	ZIJPAEJCHDNQOM-ZDUSSCGKSA-N	314.345	1.376	50	20	DDGD	
C[C@@H]1Oc2ccccc2N(CC(=O)NNc2ccncc2)C1=O	180467528	BORIIKSLVPJETJ-NSHDSACASA-N	312.329	1.339	50	20	DDGD	
Cc1ccc(CCNC(=O)NNc2nc3ccccn3n2)cn1	188828244	JXSQINTYNSJUBC-UHFFFAOYSA-N	311.349	1.302	50	20	DDGD	
COc1cccc(CO[C@@H](C)C(=O)NNC(=O)C(C)(C)C)c1	77220584	IHZUUDYXTSEHEX-NSHDSACASA-N	308.378	1.794	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2cncc(Cl)n2)CN1C1CC1	130341593	XXVADOHRVPEVPM-RKDXNWHRSA-N	310.789	1.381	50	20	DDGD	
CCOCCNC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	45643572	RJSUZFCGELIZPG-ZDUSSCGKSA-N	323.393	1.438	50	20	DDGD	
O=C(NNc1cnccn1)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1	133344020	UDRJFSKLZLJFDG-CHWSQXEVSA-N	317.393	1.349	50	20	DDGD	
COC(=O)NNC(=O)CCCCc1ccc(OC)c(OC)c1	136628659	ODMGHQGJQLCBLN-UHFFFAOYSA-N	310.350	1.804	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ccc(F)cc2F)n(C)n1	131243949	JBTMTDIMLCYUSO-UHFFFAOYSA-N	309.276	1.089	50	20	DDGD	
C[C@@H](CBr)CN1CCN(C(=O)[C@H]2CCCO2)CC1	133597136	FTKAGIBMHHCTPG-NWDGAFQWSA-N	319.243	1.341	50	20	DDGD	
COc1ccc(C(F)(F)C(=O)NNC(=O)c2cc(C)n[nH]2)cc1	133293991	QQYWEYQNVHGVAY-UHFFFAOYSA-N	324.287	1.280	50	20	DDGD	
COc1cc(C(=O)NNc2nc3ccccc3c(=O)[nH]2)ccc1C	137135461	WFANJVVWDZIOCM-UHFFFAOYSA-N	324.340	1.997	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)Cc2ccncc2)c1	81027398	PBPLHPGSJSGPKX-UHFFFAOYSA-N	313.357	1.467	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cn[nH]c2)c(C)n1-c1ccccc1	194373081	ACGBFZCKRYHZCC-UHFFFAOYSA-N	323.356	1.892	50	20	DDGD	
Cc1cc(NNC(=O)c2cccnc2OCC(F)F)nc(C)n1	89830642	ISFLLPQJBFVQAO-UHFFFAOYSA-N	323.303	1.889	50	20	DDGD	
CCO[C@H](CCNC(=O)NNC(=O)c1ccccc1O)C(C)C	266887927	ZTFHVVPPBFZILH-CQSZACIVSA-N	323.393	1.787	50	20	DDGD	
COCCn1cc(/C=C(\C#N)c2nnc3n2CCCCC3)cn1	266275062	HSQWWOZIHPFJIS-NTEUORMPSA-N	312.377	1.912	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cn(-c2ccccc2Cl)nn1	264663537	FAEQOQVEFNTYPE-UHFFFAOYSA-N	319.752	1.482	50	20	DDGD	
CSC[C@H](C)NC(=O)NNC(=O)COCc1ccccc1	265771115	HAIWVLIOYBGXFI-NSHDSACASA-N	311.407	1.285	50	20	DDGD	
CCCN(NC(=O)[C@H]1COCCN1CC)C(=O)OC(C)(C)C	367333430	RGTQRYGFEOOSFK-GFCCVEGCSA-N	315.414	1.385	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C[C@@H]2CCC(=O)[C@@H]2C)cc1	279725495	VJFCQMWNCSNHGN-OLZOCXBDSA-N	318.373	1.527	50	20	DDGD	
CSSCCNC(=O)N1CCS(=O)(=O)C[C@H](C)C1	367920497	IRGPCSJUVIZHON-SECBINFHSA-N	312.482	1.074	50	20	DDGD	
CCC(C)(C)N[C@H](C)C(=O)NNC(=O)c1cccc(OC)c1O	274988894	LSRYLAGDCDESMV-SNVBAGLBSA-N	323.393	1.329	50	20	DDGD	
C[C@@H]1c2nncn2CCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	279312747	NPNZOODMOIUNEU-JYVXZMADSA-N	309.329	1.494	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1cnc2ccccc2n1	274234701	UYCHRBYDXNXIAD-UHFFFAOYSA-N	303.322	1.209	50	20	DDGD	
CCC(C)(C)N[C@H](C)C(=O)NNC(=O)CCc1ccccc1O	274972503	IDDADWSRDYYUGG-GFCCVEGCSA-N	321.421	1.639	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2	273369065	XKMZICFIAAHKOO-BDAKNGLRSA-N	320.349	1.605	50	20	DDGD	
COC(=O)NNC(=O)[C@@H]1CCN(c2ccc(C(C)C)cc2)C1=O	274169916	AYQOVYLSXGVRSC-ZDUSSCGKSA-N	319.361	1.550	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C(=O)OCC)c1cccc(O)c1	270224722	GDIRVHSWHIJWQR-WONIAPNHSA-N	318.329	1.557	50	20	DDGD	
COC(=O)NNC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1	276884224	LVFBYPYWRLFVNB-NSHDSACASA-N	305.334	1.044	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)CNc1ccc(C)cc1C	280076104	VCWNWGGJAGNYQI-MRXNPFEDSA-N	307.394	1.678	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H](c2ccccc2)OC1=O)C1CCC1	289525534	PPQDNMOJLTUQIT-STQMWFEESA-N	302.330	1.238	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCO[C@H](C(C)C)C2)n1	280254576	KVOXJAQQQDOOQO-OCCSQVGLSA-N	320.393	1.538	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)Cc1c(C)n[nH]c1C	288696078	NLOTXYDRLGPFLQ-UHFFFAOYSA-N	303.322	1.929	50	20	DDGD	
C[C@@H]1CC(=O)N[C@H](C(=O)NNC(=O)Nc2cccc(Cl)c2)C1	294814949	XBNYMRNZSQCKQQ-KWQFWETISA-N	324.768	1.407	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=O)NCc2ccco2)nc1	290601807	VKLXLADRDMVAQB-UHFFFAOYSA-N	302.334	1.942	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@@H]1CCC[C@H]2OCC[C@H]12	298110183	YOAXWLFTLVHNLF-YUSALJHKSA-N	312.320	1.944	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN[C@@H]1CCCC12CCOCC2	800437479	YBFKFLXBELYXLM-GFCCVEGCSA-N	311.426	1.119	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2c(C)nn(C)c2C)cc1	802059143	VQBNFLDOBHAHNT-UHFFFAOYSA-N	317.349	1.512	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1cc(C2CC2)ccn1	290130945	NYZRELKCTCGOJN-UHFFFAOYSA-N	311.345	1.749	50	20	DDGD	
O=C(Cc1ccc(Cl)s1)NNC(=O)[C@@H]1CCCCO1	295762430	QHRXYOPVFFRCSF-VIFPVBQESA-N	302.783	1.661	50	20	DDGD	
NC(=O)N[C@H](CC(=O)NNc1ncccc1F)c1cccs1	804215370	NEXVGGOFYOXJNV-SECBINFHSA-N	323.353	1.525	50	20	DDGD	
O=C(NNc1ccccc1F)[C@@H]1CCCN1C(=O)C(F)(F)F	807118208	GTODMIWBZXRMTB-JTQLQIEISA-N	319.258	1.822	50	20	DDGD	
Cn1[nH]cc2c(=NC(=O)NNc3ccc(C#N)cc3)ccnc1-2	806488547	PZKRBUQUBOMYTE-UHFFFAOYSA-N	307.317	1.362	50	20	DDGD	
O=C(Cc1ccc(F)cn1)NNc1nc(-c2cccnc2)no1	806774753	GGSLWSYFDUQZMB-UHFFFAOYSA-N	314.280	1.352	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNC(=O)Nc1ccc(OC)cc1	802063040	XXAFTUVFWMDFIO-SECBINFHSA-N	309.322	1.047	50	20	DDGD	
O=C(Cc1cccc(Cl)c1Cl)NNC(=O)[C@@H]1CCCO1	292078809	FMGZQMOLTYSEDW-JTQLQIEISA-N	317.172	1.862	50	20	DDGD	
CN1[C@H]2CC[C@H]1CC(NC(=O)NNc1cccc(Cl)n1)C2	297371550	KFAJTDZLEJJGCY-QWRGUYRKSA-N	309.801	1.986	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccccc1SCC(N)=O	298791551	FJEWPAHUIJLTTB-UHFFFAOYSA-N	309.391	1.071	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)COC(F)F	803226662	JZGRFVXFABCJOW-SSDOTTSWSA-N	322.695	1.494	50	20	DDGD	
O=C(Cn1cnc(-c2ccccc2)n1)NNc1cccc(F)n1	804773859	UAQDBGDPXIRAPM-UHFFFAOYSA-N	312.308	1.623	50	20	DDGD	
CN(C)c1nc(CNC(=O)NNc2cccc(F)n2)cs1	805168179	DCCCWIANVGFRRS-UHFFFAOYSA-N	310.358	1.570	50	20	DDGD	
CSSCCNC(=O)NC[C@H](CO)Cc1ccco1	807233136	SHMAYISXBZQHQN-SNVBAGLBSA-N	304.437	1.741	50	20	DDGD	
Cn1nncc1NC(=O)NNc1ccnc(Br)c1	809900375	CHSAOCJKPNFVEG-UHFFFAOYSA-N	312.131	1.121	50	20	DDGD	
COc1ccc(NNC(=O)NCCc2nnc(C)s2)nc1	291827194	ILVNNTDVSUTSKI-UHFFFAOYSA-N	308.367	1.119	50	20	DDGD	
COCCN(C)NC(=O)c1ccn(-c2ccc(F)cc2F)n1	294160751	BTIYUMOSJXAQAV-UHFFFAOYSA-N	310.304	1.374	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cncc(C(F)(F)F)c1	808377112	QFQYZCLVRLCPNO-UHFFFAOYSA-N	304.297	1.395	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H]2CSC[C@@H]2C)cc1	805789726	JXNFJAODTNLGAC-GWCFXTLKSA-N	307.419	1.945	50	20	DDGD	
N#Cc1ccncc1C(=O)NNc1cccc(F)c1[N+](=O)[O-]	805203739	RWSQIGHBGYKLNE-UHFFFAOYSA-N	301.237	1.757	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCc2ccn(C)n2)c1	816016886	GBGSYJGCMRUMBT-UHFFFAOYSA-N	302.334	1.283	50	20	DDGD	
O=C(NNC(=O)C1CC1)C1CCC(OC[C@H]2CCCO2)CC1	814714300	ALPLFDHRCFHICT-JXQTWKCFSA-N	310.394	1.298	50	20	DDGD	
O=C1CC(C(=O)NNC(=O)CC2CC2)(c2cccc(Cl)c2)C1	819110262	WUQVAVAXSUYVMX-UHFFFAOYSA-N	320.776	1.888	50	20	DDGD	
Cc1cc(Cl)cc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1	814782998	VMCPXJRDZRYGFW-LLVKDONJSA-N	314.794	1.533	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ccccc1S(C)(=O)=O)[C@H](C)N	817935596	JIUKYPMOCRRZSO-GXFFZTMASA-N	313.423	1.153	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N(C)[C@@H](C)C(=O)O)cc(C#N)n1C	818772700	KHBHQNZSUVMHCJ-YIVIPITNSA-N	300.318	1.044	50	20	DDGD	
Cn1ncc(C(=O)NNc2ncncc2F)c1-c1ccccc1	817083400	JDACKCVHTCFMIH-UHFFFAOYSA-N	312.308	1.773	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1nc2c(s1)CCCC2(C)C	810384798	HPOZJZGVZHZENU-UHFFFAOYSA-N	324.406	1.253	50	20	DDGD	
Cc1cc(C(F)(F)F)nn1CC(=O)NNc1cnccn1	810407339	QXFPMKNMEDGHDK-UHFFFAOYSA-N	300.244	1.144	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)N=c2cc[nH]cc2)[C@@H](C)C1	815003192	ITTUPZJIRHKOMT-NWDGAFQWSA-N	318.377	1.980	50	20	DDGD	
CCC(=NN(C)C(N)=O)c1ccccc1OCC(=O)N(C)C	814891377	SNIJRLPCEQOQIM-UHFFFAOYSA-N	306.366	1.278	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CCc2ncccn2)cc1	813575883	FRTQSGVCKJMFNP-UHFFFAOYSA-N	315.333	1.271	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCc1scnc1C	729221468	QXASETBXPCZHJA-UHFFFAOYSA-N	304.375	1.904	50	20	DDGD	
CC(C)NC(=O)NNC(=O)C1(c2cccc(Cl)c2)CC(=O)C1	813427887	OMTNHHXJCGGWSL-UHFFFAOYSA-N	323.780	1.680	50	20	DDGD	
COCC(=NNC(=O)C[n+]1ccccc1)c1ccc(Cl)cc1	814694852	BOIKMGRROHHSRY-UHFFFAOYSA-O	318.784	1.794	50	20	DDGD	
O=C(NN=Cc1cccc2cc[nH]c12)[C@H]1CCS(=O)(=O)C1	814782021	IZEFRKZOQLBGKP-LBPRGKRZSA-N	305.359	1.053	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1ccc(O)c(F)c1	728425446	GWOWZDOYUFHIJG-NSHDSACASA-N	323.368	1.340	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCCc2ccoc2)cc1	822265974	LHEFBNCHBSRTSN-UHFFFAOYSA-N	317.345	1.540	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=O)CCCc2ccccc2)CC1	823050532	CACUJRJQFPRHFE-UHFFFAOYSA-N	302.374	1.916	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCC(F)(F)Br)cn1	490969385	DQNSDYGJRAXWTG-KRXBUXKQSA-N	319.109	1.431	50	20	DDGD	
CC(C)[C@@H]1CN(C)CCN1C(=O)/C(C#N)=C/c1cnn(C)c1	491159231	HZWCCTYCYLTMNI-LULHVWEPSA-N	301.394	1.126	50	20	DDGD	
CCCC(CCC)C(=O)NNC(=O)CNC(=O)OC(C)(C)C	494640357	JRTQMAHPCVKPJD-UHFFFAOYSA-N	315.414	1.875	50	20	DDGD	
CCCn1ncc(NC(=O)NNC(=O)c2cc[nH]n2)c1C1CC1	823651903	MKZGXRWKOWWCKH-UHFFFAOYSA-N	317.353	1.360	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C	493263073	BWOJGASJSWHVRN-LBPRGKRZSA-N	315.414	1.729	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(F)c(F)cc1Br	823869447	JYKJZAPMNJQEPI-UHFFFAOYSA-N	323.137	1.686	50	20	DDGD	
COc1ccc(NNC(=O)C2(C(=O)C3CC3)CC2)c([N+](=O)[O-])c1	827053471	NJZPBKIPUSZOGR-UHFFFAOYSA-N	319.317	1.806	50	20	DDGD	
Cc1ccc2c(c1)C(=NNC(=O)c1cccc(C#N)c1)C(=O)N2	728784971	OFZNNHJMJKEPLO-UHFFFAOYSA-N	304.309	1.953	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(C(=O)N[C@@H](C)CC)cc1	495820300	QZJNRYRNVYVBJP-JTQLQIEISA-N	322.365	1.998	50	20	DDGD	
CCN(Cc1occc1C)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	827259565	KQKIKTILEQCNPL-NEPJUHHUSA-N	309.366	1.576	50	20	DDGD	
Cc1cc(C)n([C@H](C)CC(=O)NNC(=O)Cc2cccnc2)n1	728851540	JLCJAGLJFCUQJG-CYBMUJFWSA-N	315.377	1.236	50	20	DDGD	
CCN(CCO)NC(=O)CCN(C(=O)OC(C)(C)C)C1CC1	823893486	KRQAFFWIFUNPOD-UHFFFAOYSA-N	315.414	1.121	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CC1CCCC1	490958769	HOHNNONNRUKXKS-UHFFFAOYSA-N	313.398	1.629	50	20	DDGD	
CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NN=c2cc[nH]cc2)C1	492749059	PKSVBILLBSFFDH-GFCCVEGCSA-N	318.377	1.204	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cnc2ccccn12	826449090	AYINGAVFWVJATC-UHFFFAOYSA-N	320.316	1.271	50	20	DDGD	
Cc1cc(C)n(CCC(=O)NNC(=O)c2cccc(C#N)c2)n1	728825401	ZDJNWPODKKNUMQ-UHFFFAOYSA-N	311.345	1.223	50	20	DDGD	
CCCCNC(=O)NN=Cc1cn(Cc2ccccc2)nn1	901173961	ZLLMYZWHXUDESX-UHFFFAOYSA-N	300.366	1.760	50	20	DDGD	
CC(=O)NNC(=O)[C@@H](C(C)C)[C@H](C)NC(=O)OC(C)(C)C	495936562	RTWSFJFUNHUHKI-ONGXEEELSA-N	301.387	1.339	50	20	DDGD	
CC[C@H](Oc1ccccc1Cl)C(=O)NN(C)[C@@H](C)CO	823946072	DRQLGFNNAZCXRM-JQWIXIFHSA-N	300.786	1.841	50	20	DDGD	
Cn1c(C(=O)N2CC[C@H](B(O)O)C2)c(Cl)c2ccccc21	585064266	DMPSSIHZPYGERJ-VIFPVBQESA-N	306.558	1.521	50	20	DDGD	
Cc1nc2cc(F)ccc2cc1C(=O)N1CC[C@H](B(O)O)C1	585070387	WIDYBIDVEWQPTL-NSHDSACASA-N	302.114	1.371	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(N2CCOCC2)nc1C	494472951	TZUHPMKTHGNPOK-UHFFFAOYSA-N	323.353	1.009	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1ccc(O)cc1Cl	905448083	ANFHFUPFLUPZIT-JTQLQIEISA-N	314.769	1.937	50	20	DDGD	
CCN1CCC[C@H](CNC(=O)/C(C#N)=C/c2cnn(C)c2)C1	491132294	NJOPGXRCNUWKFV-BKNIFWKGSA-N	301.394	1.175	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1cc(Cl)ccc1Cl	497169097	NWZNRRYEUSYMEP-UHFFFAOYSA-N	313.162	1.885	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CC[C@H](N3CCCCC3)C2)cn1	491053946	ZOSXYLRHFDISNV-LRQZKABGSA-N	313.405	1.414	50	20	DDGD	
O=S(=O)(CCl)NCCC1CCN(CC(F)(F)F)CC1	830786717	BFICTWFPFWARLP-UHFFFAOYSA-N	322.780	1.767	50	20	DDGD	
CCc1noc(C)c1COC(=O)/C(C#N)=C/c1cnn(C)c1	837972475	UZVCDUQEIGTIAF-LFYBBSHMSA-N	300.318	1.929	50	20	DDGD	
O=C(N[C@@H]1C[C@@]12CCCc1ccccc12)c1cccc(B(O)O)c1	584966369	YICBUQGDRBOTCE-IEBWSBKVSA-N	321.185	1.143	50	20	DDGD	
Cc1ccc(NNC(=O)NC2CN(C(=O)OC(C)(C)C)C2)nn1	493008148	FGPKQGAYMGQDKF-UHFFFAOYSA-N	322.369	1.030	50	20	DDGD	
CCCCOCCCNC(=O)NNC(=O)[C@@H]1CCCCO1	836230053	KMLLXCBMRQBZTR-LBPRGKRZSA-N	301.387	1.093	50	20	DDGD	
CCCc1nc(C)c(-c2nc(-c3cccc(B(O)O)c3)no2)o1	585052647	SSWBQENMCWCQSN-UHFFFAOYSA-N	313.122	1.332	50	20	DDGD	
CO[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2F)C12CCC2	838769219	SWHZMZQLHRRAAG-OLZOCXBDSA-N	321.352	1.727	50	20	DDGD	
C#CCCCC(=O)NN=Cc1ccc(O[C@@H](C)C(=O)OC)cc1	901323977	CUZWIELVTQLICX-ZDUSSCGKSA-N	316.357	1.881	50	20	DDGD	
OCCC[C@H](NCc1ccc(B(O)O)cc1F)c1ccccc1	585025268	PTOSBRADTJFFRN-KRWDZBQOSA-N	317.169	1.109	50	20	DDGD	
CC1(C)CCC[C@H]1CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	838626383	VIZBQRNXDDRDES-FZMZJTMJSA-N	317.455	1.194	50	20	DDGD	
CN(CC(=O)NNC(=O)C1CC1)[C@H]1CCC[C@@H]1c1ccccc1	839175882	RXVXWTIJEOYLBO-CVEARBPZSA-N	315.417	1.812	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCc3ccccc3CC2)CC1	834972391	GSAWBLNOQYHXNS-UHFFFAOYSA-N	300.406	1.878	50	20	DDGD	
CC(C)(C)C[C@H](NCc1ccccc1B(O)O)C(F)(F)F	585033973	LNAFOQDFETWZRZ-LBPRGKRZSA-N	303.133	1.823	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@H]2CCSC2)cc1F	838497912	WGRHPLKIQMLZMJ-VIFPVBQESA-N	313.354	1.744	50	20	DDGD	
C[C@H]1CCC[C@H](OCC(=O)NNC(=O)c2ccccc2O)C1	732996915	PBAADYMFNCTMAD-RYUDHWBXSA-N	306.362	1.749	50	20	DDGD	
Cn1cc(CNC(=O)NNC(=O)c2ccc3ccccc3c2)cn1	731682628	MCCHDDIGQUEURZ-UHFFFAOYSA-N	323.356	1.718	50	20	DDGD	
CCc1noc(CCCC(=O)NNc2cc(C)nc(C)n2)n1	736711607	CHWUZCHXOYDGHA-UHFFFAOYSA-N	304.354	1.505	50	20	DDGD	
CCC[C@H](C(=O)NNc1ccc(C(=O)O)cc1OC)N(C)C	833647349	CLHLBMMZGKIWCM-GFCCVEGCSA-N	309.366	1.567	50	20	DDGD	
C[C@H]1CC[C@H](CNC(=O)NNC(=O)Cc2ccccc2F)O1	838747052	YFHABQHIEIDELL-CMPLNLGQSA-N	309.341	1.266	50	20	DDGD	
C[C@H](NS(=O)(=O)CCl)c1cccc(N2CCCC2=O)c1	830205921	BOQWWAFVDSVHAL-JTQLQIEISA-N	316.810	1.990	50	20	DDGD	
COc1cc(C=NNC(=O)c2cnn(C)c2)ccc1OCC#N	735412318	WCAUHDNIERBTLW-UHFFFAOYSA-N	313.317	1.095	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCC[S@](C)=O)cc1	735051835	HDHALAZOUUXGIN-BGVYSJOJSA-N	306.387	1.487	50	20	DDGD	
CC[C@H](OC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)OC(C)(C)C	837971384	MYPJUFMXXNYTST-WHGQRRHOSA-N	319.361	1.991	50	20	DDGD	
O=C(NN=C1CC[C@@H]2CCCC[C@H]2C1)[C@H]1CCS(=O)(=O)C1	730576147	BTDRHTNVWUZJNW-AVGNSLFASA-N	312.435	1.884	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNc1nc(-c2ccccc2)no1	839642210	FNXVYTSONQKVLD-LLVKDONJSA-N	317.349	1.327	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cc2c(cn1)CCCC2	831827497	NKMXOVRUJBCUDA-GXFFZTMASA-N	318.377	1.538	50	20	DDGD	
C[C@H]1CCCN(C[C@@H](C)NC(=O)NNC(=O)CC(F)(F)F)C1	919913641	VZUUUDTUGQNWMS-VHSXEESVSA-N	324.347	1.390	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCc1cccc2c1OCO2	919656355	VZHPBLROMSNRDH-UHFFFAOYSA-N	319.239	1.198	50	20	DDGD	
Cc1cccc(Cl)c1C(=O)NNC(=O)CN1CCCC1=O	913733082	VEUYCLSWSVARLZ-UHFFFAOYSA-N	309.753	1.032	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=Cc1ccoc1C(=O)O	833119647	AZCIWFSMCOZHQC-UHFFFAOYSA-N	312.285	1.318	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc(CN(C)C(=O)C(C)C)cc1	741662072	JSXSIUGCGDOLNR-UHFFFAOYSA-N	319.405	1.718	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)c2ccc(CCl)cc2)CCC(=O)N1	916192416	HFFCEGHYUUZNJZ-ZDUSSCGKSA-N	316.810	1.372	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@H](C)NC(=O)C(C)(C)C)o1	746522513	QMAFBJSLFRMTIS-VIFPVBQESA-N	321.381	1.664	50	20	DDGD	
COC(=O)COc1ccc(C(=O)NNC(=O)CC(C)C)cc1	918300557	NBAYEOOPHVMIBT-UHFFFAOYSA-N	308.334	1.046	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NC[C@@H]2CCCO2)cc1	844844348	DKHDMCKEVAFHQX-ZDUSSCGKSA-N	307.350	1.207	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1ccc2c(c1)OCO2	845075739	CNAAMHDDDROCID-NTZNESFSSA-N	314.341	1.779	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(F)c1	843657552	CERBURITYJEGFF-ONGXEEELSA-N	308.309	1.214	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccc(Br)cc1	744812097	FSQGBFJVAJRAQH-UHFFFAOYSA-N	312.167	1.424	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C	910168743	VIRWSOBQKHWCTL-VXGBXAGGSA-N	315.414	1.120	50	20	DDGD	
CCCC[C@@H](CN)NC(=O)NNC(=O)Cc1ccccc1OC	841956681	AXIQPKZSNDZLIZ-ZDUSSCGKSA-N	322.409	1.086	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NNC(=O)N(C)C)no1	746003286	FCTIIRGCAMWCPI-UHFFFAOYSA-N	304.306	1.266	50	20	DDGD	
CCOc1cccc(C(C)=NNC(=O)[C@@H](C)OCCOC)c1	748253393	NGIIYUKPJDKESO-CYBMUJFWSA-N	308.378	1.977	50	20	DDGD	
CCC[C@H](O)CC(=O)NNc1ncc(Br)cn1	848321618	YRSCEUDWBIAENJ-QMMMGPOBSA-N	303.160	1.233	50	20	DDGD	
NNC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1	841010387	WEWLJGWBBRLYDX-UHFFFAOYSA-N	304.272	1.537	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H](C)c2cnn(C)c2)cc1	743632920	KEURQBAZPQRLAW-LLVKDONJSA-N	315.377	1.688	50	20	DDGD	
COc1ncnc(N)c1C=NNC(=O)Cc1ccc(Cl)cc1	747630231	NYZIWHXLIJOZCD-UHFFFAOYSA-N	319.752	1.414	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(N(C)C)cc(C(F)(F)F)c1	910139578	BDVLWOVEOKULAR-VIFPVBQESA-N	319.327	1.729	50	20	DDGD	
COCCOC[C@H](C)NC(=O)NNC(=O)CCc1ccccc1	745864809	YAXSEWBDBYCGJL-ZDUSSCGKSA-N	323.393	1.001	50	20	DDGD	
CC(C)[C@H](C(=O)Nc1cccc(NC(=O)NN(C)C)c1)N(C)C	843870504	HRFBTSNYBJWNER-CQSZACIVSA-N	321.425	1.809	50	20	DDGD	
COc1cncc(/C=C(\C#N)C(=O)NCCCOC(C)C)c1	849179848	XMVAIPSVFYZXKG-VGOFMYFVSA-N	303.362	1.928	50	20	DDGD	
COc1c(F)ccc(F)c1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843651652	FBHIFHSSFPFTKE-JGVFFNPUSA-N	314.288	1.159	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCc3cncn3C2)c1	844139400	NEIIZTDTSNNBCA-LBPRGKRZSA-N	314.345	1.375	50	20	DDGD	
O=C(CCN/C(O)=C1/N=CC=CC1=O)NNc1cccc(F)c1	748091305	PGZPWOUBJQXKLM-PFONDFGASA-N	318.308	1.185	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1c[nH]c2ccccc12	740763111	XSEBWRDRDWRPTJ-UHFFFAOYSA-N	300.362	1.923	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2CC[C@@H](SC)C2)n1	746773517	XBCUPQVEXJJKBF-NXEZZACHSA-N	311.411	1.704	50	20	DDGD	
CC[C@@H]1NCC[C@@H]1C(=O)NNc1ncc(Br)cn1	848436150	HVBBQRZLNCSUGN-IUCAKERBSA-N	314.187	1.070	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)/C=C(/C)COC)o1	845285213	HKIOTYFHHLOLLI-XFXZXTDPSA-N	323.393	1.475	50	20	DDGD	
C[C@@H](Cc1ccc(F)cc1)C(=O)NNC(=O)c1ccccn1	921020768	XYIJIEULTUWCAR-NSHDSACASA-N	301.321	1.861	50	20	DDGD	
O=C(NCCC1=CCNCC1)NNC(=O)c1cccc(Cl)c1	841987065	WUNOBCXCXXGESF-UHFFFAOYSA-N	322.796	1.594	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)N[C@@H]1CCCS(=O)(=O)C1	921782257	PUAJPSRGJFDCPS-SECBINFHSA-N	319.333	1.168	50	20	DDGD	
CNC[C@H](C)NC(=O)NNC(=O)c1cc(C)nc2ccccc12	851680971	LGHAIDZDZKYLCD-NSHDSACASA-N	315.377	1.095	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@H]2CC(C)=NO2)cc1C	854573271	DUKROQRCLSJKQH-CYBMUJFWSA-N	305.334	1.780	50	20	DDGD	
CCC(O)(CC)C(C)(C)CNC(=O)NNc1ncncc1F	852476013	KKMFBVQWJYSXOZ-UHFFFAOYSA-N	313.377	1.819	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C(=O)NNC(=O)NCC2CC2)c1C	920859245	PHBNQODOTNKRNE-UHFFFAOYSA-N	322.365	1.162	50	20	DDGD	
Cc1ccc([C@H](C)[C@@H](O)C(=O)NNC(=O)CC(F)(F)F)cc1	855000730	NTEMVELRCGQORU-JOYOIKCWSA-N	318.295	1.559	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)CNC(=O)NNC(=O)c1ccc[nH]1	752700085	OAABKBPESYNNPY-QMMMGPOBSA-N	305.338	1.367	50	20	DDGD	
CCn1ccnc1[C@@H](C)NC(=O)NNC(=O)c1cccc(F)n1	852372524	DHODSIXMZBOYDA-SECBINFHSA-N	320.328	1.142	50	20	DDGD	
C[C@](O)(CC(=O)NNC(=O)Cn1ccc2ccccc21)C1CC1	755866863	IZJVQOMWJIIAJN-KRWDZBQOSA-N	315.373	1.340	50	20	DDGD	
CNC(=S)N(C)NC(=O)Cc1c(C)nc2ccccc2c1C	854926093	QRMQDKWVIBWLPC-UHFFFAOYSA-N	316.430	1.861	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C	854920343	BMWZUNNFSFNFJJ-SECBINFHSA-N	318.443	1.003	50	20	DDGD	
O=C(O)c1csc(C=NNC(=O)c2ccc3c(c2)OCO3)c1	755481929	VWEIDLGMCVGYHH-UHFFFAOYSA-N	318.310	1.939	50	20	DDGD	
Cc1ccc(CC=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cc1	853391120	ZVTYDGKXEZTRIC-CVEARBPZSA-N	301.390	1.503	50	20	DDGD	
C[C@@H]1CCN(S(=O)(=O)NC[C@]2(C)C[C@H]2Br)C1	856754783	NGVGYBYVJKPQHU-BBBLOLIVSA-N	311.245	1.336	50	20	DDGD	
C[C@@]1(CNC(=O)N2CC[C@@H]3CNC[C@@H]32)C[C@H]1Br	857105551	NGEYVQDDTNUZRJ-KLBPJQLPSA-N	302.216	1.163	50	20	DDGD	
C#CCN(CC(=O)NNc1cccc(F)n1)C(=O)OC(C)(C)C	854442567	CUGDJHBIUCGVNR-UHFFFAOYSA-N	322.340	1.534	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C1CC2(CC2)C1	856724538	LZKLLHWHUKXEEE-UHFFFAOYSA-N	302.374	1.965	50	20	DDGD	
CN(C)C1(CNC(=O)NNc2ncc(Cl)cn2)CCCC1	856830758	VMUHHLGBVSVZLK-UHFFFAOYSA-N	312.805	1.631	50	20	DDGD	
CCn1cc(CNC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)nn1	855614187	SHXUWYMWYHPHDR-WLRTZDKTSA-N	323.360	1.040	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@]2(C)CCOC2)c1C	853732139	WFVFBVGXLXFVCV-INIZCTEOSA-N	321.377	1.834	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C2=C(C)N(C(C)C)CC2)n1	933985956	JMLVZVDBEIAAPB-UHFFFAOYSA-N	305.382	1.625	50	20	DDGD	
C[C@]1(CNS(=O)(=O)C[C@H]2CCOC2)C[C@H]1Br	856754079	BZQPDTHUTYOXRV-IVZWLZJFSA-N	312.229	1.116	50	20	DDGD	
CCc1cc(Br)ccc1NC(=O)NNC(=O)CO	757704192	RLFPDZZNNRIPJE-UHFFFAOYSA-N	316.155	1.157	50	20	DDGD	
Cc1nn2cccnc2c1C(=O)NNCC(F)(F)C(F)(F)F	863093744	ZYOZBMDGSPKPPL-UHFFFAOYSA-N	323.225	1.470	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H](C)c1cccc(O)c1	935196437	LQLSUPASHUDXFL-VIFPVBQESA-N	313.448	1.354	50	20	DDGD	
O=C(NNC(=O)c1ccc(O)c(F)c1)c1cccc([N+](=O)[O-])c1	767247382	PMYBVKWQUGZHEQ-UHFFFAOYSA-N	319.248	1.514	50	20	DDGD	
C[C@@H](NS(=O)(=O)CC(C)(C)CCl)C(=O)OC(C)(C)C	866753441	SIDAEULCUTYSNO-SECBINFHSA-N	313.847	1.901	50	20	DDGD	
CC(=O)Nc1cc(F)ccc1C(=O)NNC(=O)CC(F)(F)F	869021866	ZIEBITUFAMCQAF-UHFFFAOYSA-N	321.230	1.498	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cc(-c2ccccc2O)[nH]n1	863853100	QDUFRQCMSMXSBG-UHFFFAOYSA-N	302.334	1.589	50	20	DDGD	
COC(=O)c1c[nH]c2cc(NC(=O)NNC(=O)C3CC3)ccc12	861366759	QCQQOZMMXVDREU-UHFFFAOYSA-N	316.317	1.517	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1c(C)[nH]c(C(=O)OC)c1C	769147158	NQHHVVUCSQYWJF-UHFFFAOYSA-N	310.354	1.162	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CCc2ccc(O)cc2)c1	760863140	JTCIKXCQXQORHP-UHFFFAOYSA-N	309.325	1.658	50	20	DDGD	
CCS(=O)(CC)=NS(=O)(=O)NCCSSC	867242461	JVLGHGFIKLWFEA-UHFFFAOYSA-N	306.500	1.340	50	20	DDGD	
O=C(O)c1ccc2c(C=NNC(=O)c3ccc(O)cc3)n[nH]c2c1	765549276	UXBOPNBNIFYPAI-UHFFFAOYSA-N	324.296	1.731	50	20	DDGD	
Cc1cccc(CO[C@@H](C)C(=O)NNC(=O)c2cnn(C)c2)c1	865936028	COGRLWSREDWRKD-LBPRGKRZSA-N	316.361	1.095	50	20	DDGD	
NC(=O)NCCCCC(=O)NNc1cccc(F)c1Cl	862506503	ZYPYTAKRJGVZGM-UHFFFAOYSA-N	302.737	1.761	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H](O)[C@H](C)c1ccc(C)cc1	764881353	PPYUKTXRQBXZRK-TZMCWYRMSA-N	307.394	1.590	50	20	DDGD	
OB(O)c1ccc(CNc2ccc3c(cnn3C(F)F)c2)cc1	864031297	ZZIMEVMQPSFXQI-UHFFFAOYSA-N	317.104	1.723	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCCN1CCSCC1	768110428	RSDYLVDINPVMGN-SNVBAGLBSA-N	323.300	1.961	50	20	DDGD	
CC(=O)N(C)C1CCN(S(=O)(=O)CC(C)(C)CCl)CC1	866604379	HLKHLPIOQBRNLV-UHFFFAOYSA-N	324.874	1.524	50	20	DDGD	
Cc1csc2ncc(C(=O)NN[C@H](C)C(F)(F)F)c(=O)n12	862316607	ROQUAYXDDGDRGA-ZCFIWIBFSA-N	320.296	1.250	50	20	DDGD	
Cc1cccc([C@@H]2C[C@H]2C(=O)NNc2ncnc3[nH]cnc23)c1	863881318	QIIDMSYWKXCOFK-NWDGAFQWSA-N	308.345	1.908	50	20	DDGD	
Cc1cccc(NNC(=O)Nc2cnn(CCN(C)C)c2)n1	860714182	VLYLUTNJHXOTBK-UHFFFAOYSA-N	303.370	1.297	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@H]2CCCN2CC(F)F)cn1	862697819	XHYSBEKNYTZSNT-QWGHSUKYSA-N	323.347	1.173	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccc(-n2cccn2)c(F)c1	1117766912	VKZSYZGBBZDRRK-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
COCCOCC(=O)NN=Cc1cccc(OC(C)(C)C)c1	872399390	JIAJMJDSTFGQKB-UHFFFAOYSA-N	308.378	1.977	50	20	DDGD	
O=C(C[C@H]1COC(=O)C1)NNc1ccnc(Br)c1	771537215	IKMYEXPUYYAUSX-SSDOTTSWSA-N	314.139	1.240	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2ncc(Cl)cc2Cl)C1=O	775276850	XIHIMPLRYRVUHG-SSDOTTSWSA-N	303.149	1.310	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H](C)n2cncn2)c(C)c1	873758024	GSTWTQQYKDKSKI-LLVKDONJSA-N	318.406	1.474	50	20	DDGD	
C=CC(C)(C)CC(=O)NNc1nc2ccccc2c(=O)n1C	878836172	JVQVUMOKIQYAJU-UHFFFAOYSA-N	300.362	1.979	50	20	DDGD	
C[C@H](CBr)CN1CCCC[C@@H](S(C)(=O)=O)C1	770003201	XTDKKFJQTZMQNY-GHMZBOCLSA-N	312.273	1.917	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2ccc(C(=O)O)cc2)CN1C1CC1	872410990	TWOFIPKJLBSPLG-JTQLQIEISA-N	301.346	1.727	50	20	DDGD	
CO[C@@H](C)CC(=O)NNC(=O)c1ccc(Br)cc1	1115928537	RBWYIRWMNWDZSH-QMMMGPOBSA-N	315.167	1.635	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N[C@@H](CCO)c1ccccc1	774854312	YJHKMYMNOPLCHI-ZFWWWQNUSA-N	321.421	1.282	50	20	DDGD	
Cn1ccnc1CCC(=O)NC[C@]1(C)C[C@@H]1Br	1123930631	IQPASGAVGNOHTM-CABZTGNLSA-N	300.200	1.642	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)C[C@H]1CN	877162936	BZBNIUNWUDTNAC-GHMOJZLGSA-N	315.255	1.993	50	20	DDGD	
CSc1ccc([N+](=O)[O-])c(C(=O)NNc2ccn(C)n2)c1	1116851885	BYUYZQXOOAUNAL-UHFFFAOYSA-N	307.335	1.807	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cncnc2C)c2ccccc2n1	1116899621	FEPKRQDJDCWIKZ-UHFFFAOYSA-N	321.340	1.716	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)cc[nH]1	875398411	LJHBYALLQGZAMA-ZFWWWQNUSA-N	322.434	1.493	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1ccc(S(N)(=O)=O)o1	771706365	BGLUWTFCOBVQGE-UHFFFAOYSA-N	313.310	1.131	50	20	DDGD	
COCCCNC(=O)NN=Cc1cnc(CCOC)s1	872345055	MHBNUFZTDLOFMA-UHFFFAOYSA-N	300.384	1.002	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(C)c(F)cc1F	772170238	PSNSURIIWGHTMQ-MRVPVSSYSA-N	314.288	1.376	50	20	DDGD	
CCCCS(=O)(=O)NCC(=O)NNc1cc(F)ccc1F	885142718	HTZVXACKPXQLOA-UHFFFAOYSA-N	321.349	1.127	50	20	DDGD	
C#CCOc1ccc(F)cc1NC(=O)NNc1ncc(F)cn1	775642333	YJECRNPKSHPMSC-UHFFFAOYSA-N	319.271	1.915	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)CCCOC(C)C)c1	783711738	JLNBNDJNJZMOTD-UHFFFAOYSA-N	324.377	1.670	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C(C)c1cc(C)nn1C	788955216	SWTQPARHHNZQCA-UHFFFAOYSA-N	316.361	1.656	50	20	DDGD	
CCc1ncc(NC(=O)NNc2cccc(C(=O)OC)c2)cn1	780604730	NRINICKLEQTFOX-UHFFFAOYSA-N	315.333	1.974	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2nc3ccccc3[nH]2)on1	781431137	LSUBYMJXXVFQMX-UHFFFAOYSA-N	301.262	1.094	50	20	DDGD	
Cc1cc(Cl)ncc1NC(=O)C(=O)NNc1ccccn1	784796199	HFLBAYLSDQIIRP-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2csc3cncn23)c1	780800187	BOMZNRPHIXVDEC-UHFFFAOYSA-N	316.342	1.939	50	20	DDGD	
CCCCC[C@@](C)(CC)C(=O)NNC(=O)C(=O)N1CCCC1	780526118	AIPATDUNDCFSRK-MRXNPFEDSA-N	311.426	1.753	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC(C)(C)C2CCOCC2)o1	897005739	XTTKRPSXDYIDIR-UHFFFAOYSA-N	323.393	1.985	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1ccc(OC[C@H]2CCCO2)cc1	785461784	XDSBJAJEYDXJCD-CQSZACIVSA-N	306.362	1.465	50	20	DDGD	
CN1C[C@H]2CN(C(=O)NC[C@]3(C)C[C@H]3Br)C[C@H]2C1	895922176	HMFAHPSDMQLEFO-XZUYRWCXSA-N	316.243	1.363	50	20	DDGD	
CC(C)C[C@@H]1C(=O)NCCN1S(=O)(=O)CCCCCl	782483725	SDZWPKPUCRPIJL-LLVKDONJSA-N	310.847	1.182	50	20	DDGD	
CO[C@@H]1CCOC[C@H]1NC(=O)NC[C@]1(C)C[C@@H]1Br	895924239	UGYIQLWIJLBLND-SVDPJWKOSA-N	321.215	1.263	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2nnc(-c3ccccn3)s2)[nH]1	788561477	HTLYGLZAPWJBCY-UHFFFAOYSA-N	311.330	1.557	50	20	DDGD	
CSSCCNc1nc2ccccc2c(=O)n1CCO	893732939	ZNNCHVNHEFQREO-UHFFFAOYSA-N	311.432	1.812	50	20	DDGD	
COc1cc(NNC(=O)[C@H](O)CCSC)ccc1Cl	790180362	RDNCMPGXYGERFV-SNVBAGLBSA-N	304.799	1.906	50	20	DDGD	
CCn1ncnc1CNC(=O)NNc1c(F)cccc1Cl	793456121	OMUFKXAZVPEFGP-UHFFFAOYSA-N	312.736	1.917	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1c(O)nnc(C)c1C	798311530	BTXBGOCSVJZXDR-UHFFFAOYSA-N	315.333	1.574	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Cc2cnn(C)c2C)cc1	794174367	XOKNFBKPZDUUID-UHFFFAOYSA-N	300.362	1.295	50	20	DDGD	
C[C@H](Oc1ccc(C=O)cc1)C(=O)NNC(=O)c1cccn1C	794829837	ZWPQPHMKDOVEPE-NSHDSACASA-N	315.329	1.066	50	20	DDGD	
CC[C@H](C)CC[C@@H](O)CC(=O)NNC(=O)c1ccc(C#N)cc1	793289822	OZSVVBGAYGCBNV-SWLSCSKDSA-N	317.389	1.897	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccnn1C(C)(C)C	792378592	UQXRRVQKZDASKI-UHFFFAOYSA-N	305.342	1.585	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=c2cc[nH]cc2Cl)n2cccc21	790022339	GFIDSBIMEQJGTF-GFCCVEGCSA-N	304.737	1.619	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cc(F)c(F)cc2F)c1Cl	1319578757	UAIYNSFDOFYPPT-UHFFFAOYSA-N	317.658	1.886	50	20	DDGD	
Cc1nc(N2CCOCC2)sc1C=NNC(=O)NC(C)C	1318069336	OTIKUAUDYIPWAE-UHFFFAOYSA-N	311.411	1.330	50	20	DDGD	
C#CCOc1ccc(C=NNC(=O)C[N+](C)(C)C)cc1OCC	1317697490	BRACIURHZQFYHF-UHFFFAOYSA-O	318.397	1.254	50	20	DDGD	
O=C(NNc1ncncc1F)c1scnc1Br	1324581717	BESAARYXIJBCQW-UHFFFAOYSA-N	318.131	1.592	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)c2ccc(OC)cc2)n1C	1326228360	YGCUTVRFQVGLKT-UHFFFAOYSA-N	315.329	1.584	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCc2ccc3c(c2)CCO3)n[nH]1	1253154977	FEFGDVQMLLISLD-UHFFFAOYSA-N	314.345	1.047	50	20	DDGD	
Cc1conc1NC(=O)NNC(=O)COc1ccc(F)cc1	1337817580	YSUMEWRARICURS-UHFFFAOYSA-N	308.269	1.354	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@H]2C[C@H]3C=C[C@H]2C3)cc1	1333893216	XSCBRDKBBYLLPI-FPMFFAJLSA-N	315.373	1.851	50	20	DDGD	
CCCN1CCC[C@H](C(=O)NNC(=O)c2ccc(OC)cc2)C1	1332047653	KDOMSFMQWFCSFT-AWEZNQCLSA-N	319.405	1.578	50	20	DDGD	
CCc1noc(CC)c1CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C	1261453080	URWNUPYLQHIDNT-UWVGGRQHSA-N	324.381	1.055	50	20	DDGD	
CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)C2CCC(Cl)CC2)O1	1263773396	SADWMJDLHJVCQX-IFWUJCSASA-N	316.829	1.536	50	20	DDGD	
CCN1CC[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1604340016	GVJGDLLJGJTQCM-LLVKDONJSA-N	321.772	1.057	50	20	DDGD	
Cc1cc(=NNC(=O)Nc2cc(C)c(C(=O)O)cn2)cc[nH]1	1607696066	YGEWKXAKZPELLO-UHFFFAOYSA-N	301.306	1.362	50	20	DDGD	
Br[C@H]1[C@@H]2CN(Cc3cccc(-c4nn[nH]n4)c3)C[C@H]12	1602673830	SLMCLPGMKZECMG-GDNZZTSVSA-N	320.194	1.692	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1C(=O)O	1600946421	MKGJFGLNJDWNTC-VGOFMYFVSA-N	309.325	1.947	50	20	DDGD	
O=C(O)Cc1ccc(NC(=O)NNc2cccc(F)n2)cc1	1602125243	TVEGXOVUPHWCBL-UHFFFAOYSA-N	304.281	1.996	50	20	DDGD	
Cc1ncc(C(=O)NNc2cccc(C(=O)O)c2F)c(C)n1	1607975634	HAKKYFKZCXGIIM-UHFFFAOYSA-N	304.281	1.688	50	20	DDGD	
O=C(O)CN(CC1CC1)S(=O)(=O)c1ccc(CCl)cc1	1606226021	LVJAGPYHPPTHQT-UHFFFAOYSA-N	317.794	1.911	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1c[nH]c(C(=O)O)c1	1600584972	COMHISCWQUDCBT-UHFFFAOYSA-N	302.290	1.488	50	20	DDGD	
COCC1(C(=O)NNc2ccc(CC(=O)O)cc2)CCOCC1	1606821421	DXCRTIPAVMNOAS-UHFFFAOYSA-N	322.361	1.200	50	20	DDGD	
Cc1c(NNC(=O)Nc2nnn(C)c2C)cccc1C(=O)O	1600055835	KFSFAZOERVOKMX-UHFFFAOYSA-N	304.310	1.279	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)c1sccc1-c1nn[nH]n1	1606861263	QTCJDRLMSWKFQA-UHFFFAOYSA-N	322.300	1.963	50	20	DDGD	
O=C(CC[C@@H]1C[C@H](C(=O)O)CO1)NNc1ncc(F)cc1F	1601285328	WDOMNNOCUMMUDV-IONNQARKSA-N	315.276	1.073	50	20	DDGD	
Cc1cc(NNC(=O)Nc2ccc(F)c(C(=O)O)c2)nc(N)n1	1600283032	LCWCVVOGIPBEGE-UHFFFAOYSA-N	320.284	1.353	50	20	DDGD	
O=C(NC[C@@H]1CCC=CO1)NNc1ccc(F)c(C(=O)O)c1	1608436175	SGZCEVKOTWPFBN-JTQLQIEISA-N	309.297	1.843	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1Cc2ccc(F)cc21	1606856108	RJZAJHSNALMTJR-CQSZACIVSA-N	324.319	1.789	50	20	DDGD	
CC[C@@H]1CC(=NNC(=O)[C@H]2CCCO[C@@H]2c2ccnn2C)CO1	1549315967	PNZKFKKDMPJRBO-IPYPFGDCSA-N	320.393	1.559	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@@H]1C=NNC(=O)C1CCOCC1	1552919521	KTSMXRPHHDXPME-KGLIPLIRSA-N	320.393	1.416	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cn(C)cn2)C1	1842527970	DECZWQIUSPKOMN-LLVKDONJSA-N	324.812	1.255	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](C)S)C2	1841670530	HNPZYPNHODGGBN-MNOVXSKESA-N	318.870	1.916	50	20	DDGD	
CC(C)NC(=O)/C(C#N)=C\c1ccccc1O[C@@H](C)C(=O)O	1591635613	PHLIDONOXGLATJ-LFTLCWSBSA-N	302.330	1.970	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2nc3cccnc3s2)O[C@H]1C(=O)O	1599876172	SPGAUBYMUADEDV-FTLITQJKSA-N	322.346	1.013	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)[C@H]1CC[C@H]1C(=O)O	1594780129	JNVNSEAVCSJFQZ-NTSWFWBYSA-N	304.228	1.049	50	20	DDGD	
COC/C(C)=C/C(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1599155842	PAQUMEMUTNCRSN-WEVVVXLNSA-N	313.379	1.173	50	20	DDGD	
C[C@H]1SCC[C@H]1NC(=O)NNc1ccc(CC(=O)O)cc1	1594664498	QZYCYPFKQISQGN-BXKDBHETSA-N	309.391	1.834	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@H]2CCN2C(C)(C)C)CC[C@H]1C(=O)O	1776098734	VZTPGEGRABUYFU-RAIGVLPGSA-N	309.410	1.852	50	20	DDGD	
CCNC(=O)NN=Cc1cc(C(=O)O)ccc1Br	1776039311	HMKZIWXDXHMCCO-UHFFFAOYSA-N	314.139	1.800	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)c1	158808767	AFMHOJURIYTTIR-GFCCVEGCSA-N	313.361	1.523	50	20	DDGD	
COCCCCC(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	151113689	LBMGNZRCJYLYLM-UHFFFAOYSA-N	322.390	1.716	50	20	DDGD	
CC(C)Cc1ccc(CCCC(=O)NNC(=O)CN(C)C)cc1	151520355	XQUNCEJKWXEVHY-UHFFFAOYSA-N	319.449	1.917	50	20	DDGD	
COc1ccc(NNC(=O)NCCc2ccc(C)nc2)nc1	157249168	CKSCYLREAGHIBU-UHFFFAOYSA-N	301.350	1.662	50	20	DDGD	
CO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)Nc1ccccc1C	155802918	PLDZXOSYBWRHRZ-CHWSQXEVSA-N	306.366	1.898	50	20	DDGD	
COCCC1(C(=O)NNC(=O)COc2cc(C)cc(C)c2)CC1	156727995	SFDYGTKFSXQATJ-UHFFFAOYSA-N	320.389	1.646	50	20	DDGD	
O=C(O)CCSSCCNC(=O)C1(n2cccn2)CC1	2088604141	VYISANISLVVXIQ-UHFFFAOYSA-N	315.420	1.345	50	20	DDGD	
C[C@H](Cl)C(=O)Nc1ccc(N2CCC[C@@H](C(N)=O)C2)nc1	1887504123	GCTKOLQSDMXBMS-VHSXEESVSA-N	310.785	1.349	50	20	DDGD	
Cn1ccc(NC(=O)NNC(=O)c2cn(C)c3ccccc23)n1	10585491	GWCMTBFSTFWAEG-UHFFFAOYSA-N	312.333	1.378	50	20	DDGD	
CCCc1noc(CCCC(=O)NNc2nc(C)cc(C)n2)n1	51262759	KEPMTZQARHYDIQ-UHFFFAOYSA-N	318.381	1.895	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1cc(F)c(F)cc1Cl	106416958	BDUCVPSAASCYAV-UHFFFAOYSA-N	314.679	1.345	50	20	DDGD	
N#C/C(=C\c1csc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCO1	53102940	DRNNQCSUUZYEOP-INJWIWPUSA-N	307.331	1.858	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cccc(-n2cccc2)c1	103424472	BEMXLHGEEGHJBG-UHFFFAOYSA-N	320.352	1.876	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)C1=Cc2ccccc2CC1	55617560	QMDNXCYYTFKBJU-NSHDSACASA-N	308.403	1.970	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)[nH]n1	54126755	JSHDDWXEPIMHGE-GFCCVEGCSA-N	316.361	1.563	50	20	DDGD	
CCCCN(C)C(=O)NNC(=O)c1cc(Br)c[nH]1	103506434	PTEUPSACASLSAZ-UHFFFAOYSA-N	317.187	1.864	50	20	DDGD	
Cc1ccc(CC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1	58584398	JEHPKUPWGSXBQN-AWEZNQCLSA-N	310.419	1.030	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)C(=O)NC)c1C	55958059	LEDRTSUFNHHXFL-CDCQXCROSA-N	316.405	1.673	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNc1nc2ccccc2c(=O)n1C	113186873	NWQPNVFEJSGPRU-LLVKDONJSA-N	316.361	1.358	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(C#N)cc2)c(F)c1	61473917	MEUFKQNVYXOYFT-UHFFFAOYSA-N	313.288	1.781	50	20	DDGD	
CN1CCC(=O)Nc2cc(C(=O)NNc3cnccn3)ccc21	175382251	SWSIQGQOAHOEKI-UHFFFAOYSA-N	312.333	1.012	50	20	DDGD	
Cc1cc2ccccc2n1CC(=O)NNC(=O)Cc1cccnc1	171511373	VNJFPIMYWAEIBR-UHFFFAOYSA-N	322.368	1.735	50	20	DDGD	
O=C(COCCOc1ccccc1)NNc1ccc(Cl)nn1	118504319	KJDBSDWUSMWZNG-UHFFFAOYSA-N	322.752	1.669	50	20	DDGD	
O=C(NNC(=O)c1ccc(OCC(F)(F)F)nc1)NC1CC1	64428297	XBXRERCJSUHXAT-UHFFFAOYSA-N	318.255	1.129	50	20	DDGD	
C[C@H]1CC[C@@H](CCC(=O)NNC(=O)Cc2ccccc2F)O1	173197847	UCAGOIXXBDQNDK-AAEUAGOBSA-N	308.353	1.863	50	20	DDGD	
C[C@H](CC(=O)NNc1ncccn1)NC(=O)C1CCCCC1	66609149	QJBFRIQQMCXINI-LLVKDONJSA-N	305.382	1.395	50	20	DDGD	
N#CC1(C(=O)NNC(=O)c2cccc(Cl)c2)CCOCC1	171761913	YUWJMEAQCXOQBA-UHFFFAOYSA-N	307.737	1.421	50	20	DDGD	
CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)NNc1cccnn1	172500145	JGKDNQYCRKSAOV-YPMHNXCESA-N	307.398	1.944	50	20	DDGD	
O=C(NNC(=O)[C@H]1SCCc2ccccc21)c1ccc[nH]1	173119573	DUGLHPKFWXKTSH-ZDUSSCGKSA-N	301.371	1.806	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2ccnnc2)c1C	129583342	SEPJKZLUTXBDAE-UHFFFAOYSA-N	301.375	1.725	50	20	DDGD	
CCNc1ncc(C(=O)NNC(=O)c2cccc(C#N)c2)s1	128647416	ZCPDIVXRPRPFCD-UHFFFAOYSA-N	315.358	1.521	50	20	DDGD	
C[C@@H](CCNC(=O)NNC(=O)OC(C)(C)C)N1CCCCC1	182689294	IQJJUGWTGSEGOM-LBPRGKRZSA-N	314.430	1.990	50	20	DDGD	
CC(C)CN1N=C(C(=O)NNC(=O)c2ccccc2)CCC1=O	124597957	VEWWUWWXOWGHKM-UHFFFAOYSA-N	316.361	1.082	50	20	DDGD	
CC[C@H](C)OCC(=O)NNc1cccc(S(C)(=O)=O)c1	181113562	ZFUOIPZNRVQUPZ-JTQLQIEISA-N	300.380	1.348	50	20	DDGD	
CCCc1ccc(S(=O)(=O)NNC(=O)c2cccn2C)cc1	71806859	KDKNXYMJSQAYIU-UHFFFAOYSA-N	321.402	1.601	50	20	DDGD	
CC(C)[C@]1(C)C[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)OCCO2	185288959	LMUHPYNGNCRIBV-PXAZEXFGSA-N	318.373	1.901	50	20	DDGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)Cn1cccn1	185494095	JJUUBFAHYFTSMI-UHFFFAOYSA-N	324.793	1.476	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)C1(c2ccccc2)CCCC1	186141993	WAEBRHJPPKVEGD-UHFFFAOYSA-N	312.373	1.612	50	20	DDGD	
NC(=O)c1cccc(OCCC(=O)NNc2ccnc(F)c2)c1	182442075	JHVLCJJVMJDSHV-UHFFFAOYSA-N	318.308	1.232	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)[C@H]1C[C@@H]2CC[C@@H]1O2	124390120	YVUVKQBNOJBZRB-FXQIFTODSA-N	302.256	1.506	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1ccc(-n2ccnn2)cc1	184788606	ZPWJXWFLZYUZGJ-UHFFFAOYSA-N	323.316	1.129	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cnc(C(F)(F)F)nc2)n1	122693613	YQXNZFVKTZMEDV-UHFFFAOYSA-N	312.255	1.659	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)[C@H](C)Sc1nncn1C	184303067	IJZRPNBYPYZDGK-VIFPVBQESA-N	309.370	1.887	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1	184677312	SJHNHSXPVFXFHR-YUMQZZPRSA-N	302.252	1.985	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)Cn2nc(C)cc2C)c(C)n1	186532624	CTTIXOWVNNYKEO-UHFFFAOYSA-N	316.365	1.365	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)c2ccon2)cc1	130079602	SUCYACBSRNMXTI-UHFFFAOYSA-N	306.347	1.705	50	20	DDGD	
CCc1ccc(CCNC(=O)NNC(=O)c2cnn(C)c2)cc1	132539435	MWZIGWRPCZMSRF-UHFFFAOYSA-N	315.377	1.169	50	20	DDGD	
COC(=O)[C@]1(C)CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C1	194748776	LZCVCCGNQBOFDD-HOFZKYPUSA-N	314.341	1.711	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCCO1)C(=O)NNC(=O)CC1CCCC1	195207605	KSRZAJMLOYDZDM-OCCSQVGLSA-N	312.410	1.688	50	20	DDGD	
O=C(NCc1ccccc1)NNc1ccc(-n2cccn2)nn1	42861874	YZUPCCJAZHEBDG-UHFFFAOYSA-N	309.333	1.489	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)C2(C#N)CCC2)cc1	134492339	PKCPMFYSBIOYLF-UHFFFAOYSA-N	303.387	1.928	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccncc1)N1CCc2ccccc2C1	134470719	JYWHKJKYGSGECM-ZDUSSCGKSA-N	324.384	1.289	50	20	DDGD	
Cc1ccc(C(=O)NNc2nc3ccccn3n2)cc1[N+](=O)[O-]	191882344	RHWMFUNNGWQEBM-UHFFFAOYSA-N	312.289	1.703	50	20	DDGD	
C[C@H](C(=O)NNC(=O)OC(C)(C)C)N1CCc2ccccc21	195381627	KERFEWMMJBKYTB-LLVKDONJSA-N	305.378	1.994	50	20	DDGD	
Cc1oc(C(=O)NNc2ccccc2)cc1S(=O)(=O)N(C)C	84926484	XVHCGDCGHVLORZ-UHFFFAOYSA-N	323.374	1.595	50	20	DDGD	
CN(C)C(=O)NNS(=O)(=O)c1ccc(CCCCl)cc1	195446600	LEHBXDKEVYEPHZ-UHFFFAOYSA-N	319.814	1.323	50	20	DDGD	
Cc1ccn(C)c(=O)c1NC(=O)NNc1cccc([N+](=O)[O-])c1	92928222	QTFSSRWGXIUGLT-UHFFFAOYSA-N	317.305	1.751	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)c1ccccc1)C(=O)OC	269766362	FWNMJIUBDKQTLR-UHFFFAOYSA-N	321.377	1.610	50	20	DDGD	
O=C(NNC(=O)c1ccnc(OCC(F)(F)F)c1)NC1CC1	265962408	QZAFUODPPWFOJM-UHFFFAOYSA-N	318.255	1.129	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc2c(c1)OCCO2)C1CC1	263889935	MSLJSRGJJADWQW-SECBINFHSA-N	321.402	1.365	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cccnc1OCC(C)C	264168342	OUOKTRHFILJERZ-UHFFFAOYSA-N	324.381	1.097	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2cocn2)c1	264323661	YCSHZSUFGTVXTF-UHFFFAOYSA-N	317.345	1.946	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@H](OC)C(C)(C)C	266773738	STRIMGONOZZVEV-ZDUSSCGKSA-N	323.393	1.700	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc(C(F)(F)F)nc1O	264658541	CXGYQZDPGOMFCN-UHFFFAOYSA-N	303.240	1.367	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@@]2(C)CCCOC2)c1	272658072	HFHJQVRKWGUVFM-INIZCTEOSA-N	321.377	1.071	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc2c(c1)NC(=O)CO2	276627404	SAHNTIPVGJRTEN-GHXNOFRVSA-N	315.329	1.077	50	20	DDGD	
CCS(=O)(=O)c1ccc(C(=O)N2CC=C(C#N)CC2)cc1	272672604	LHTTVZOODOTMSO-UHFFFAOYSA-N	304.371	1.776	50	20	DDGD	
COCC[C@@H](NC(=O)NNc1cccnn1)c1ccc(C)o1	272377126	UYBWZHKCMHFYOR-LLVKDONJSA-N	305.338	1.782	50	20	DDGD	
CC[C@H](C)Oc1cccc(NC(=O)C(=O)NNC(=O)OC)c1	274139245	AWYYXCSAZFQGRH-VIFPVBQESA-N	309.322	1.190	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCc1c(C)nn(CC(C)C)c1C	271472456	ZJKYWRWINPEZHW-UHFFFAOYSA-N	323.441	1.781	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CC(=O)N(CC2CC2)C1	279395272	IHRYUBSDTHZNHI-VGOFMYFVSA-N	311.341	1.337	50	20	DDGD	
CC(=O)NCCCCCC(=O)NNc1nnc(C2CC2)s1	273621357	MYKXSTCQKRNOID-UHFFFAOYSA-N	311.411	1.555	50	20	DDGD	
CC[C@H](C)[C@H](C)C(=O)NNC(=O)CNC(=O)c1cccs1	272576446	XKYAYQNKKUAMGE-UWVGGRQHSA-N	311.407	1.308	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H]2CCO[C@H](C)C2)c1	271963612	HEAZRRZELYIYJA-YPMHNXCESA-N	317.414	1.801	50	20	DDGD	
CSSCCNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O	375904231	UAOAYJAKTRNPJA-BQBZGAKWSA-N	316.370	1.571	50	20	DDGD	
CCn1c(C)cc(C(=O)NNC(=O)NCC(F)(F)F)c1C	281384337	XKOYYFMHWMVYLT-UHFFFAOYSA-N	306.288	1.631	50	20	DDGD	
CSSCCNC(=O)C[C@H]1Oc2ccccc2NC1=O	284089554	MZNMQPRMOYCYEU-LLVKDONJSA-N	312.416	1.904	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cnc(C)s1	287771612	JXKDKDPCJVVVEM-UHFFFAOYSA-N	301.368	1.002	50	20	DDGD	
C[C@]12CCC(=O)N1[C@@H](C(=O)NNc1ncccc1F)CS2	286078914	TXLUEZGUSNWILD-RNCFNFMXSA-N	310.354	1.118	50	20	DDGD	
CCOC(=O)NCC(=O)NNC(=O)Nc1ccc(Cl)cc1	283764231	NOWPDDGWKABNQB-UHFFFAOYSA-N	314.729	1.239	50	20	DDGD	
CC(C)n1ccc(NC(=O)NNC(=O)Cc2ccncc2)n1	280676004	FJTCFSSBIBUMKJ-UHFFFAOYSA-N	302.338	1.254	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)CC[C@H]1CCCO1	299251889	ZAYOAKVFKMXZOY-GFCCVEGCSA-N	322.361	1.181	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)c(F)c1)NNc1cccc(F)n1	804766974	SKMMUOJRXRJQGT-UHFFFAOYSA-N	324.262	1.372	50	20	DDGD	
Cc1ccc(O[C@@H](C)CNC(=O)NNc2ccncn2)cc1	296602571	VJHHSRRVDZQREW-LBPRGKRZSA-N	301.350	1.879	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@@H](O)C(C)C)ccc1OC(C)C	291329751	ADVMAIGKFFGPAT-AWEZNQCLSA-N	324.377	1.260	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)NC[C@H](C)c2ccccc2)O1	297866521	QFQPCZHPNPNBCG-OBJOEFQTSA-N	305.378	1.688	50	20	DDGD	
CC(C)(CCC(=O)NNc1cnc2ccccc2n1)[N+](=O)[O-]	296011395	NOMFWFKREQJMQJ-UHFFFAOYSA-N	303.322	1.908	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)c1	800687694	FNDFFAGPLISVEL-JRPNMDOOSA-N	321.377	1.068	50	20	DDGD	
COc1ccnc(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)c1	802003535	POXZVZYUWSRVGO-UHFFFAOYSA-N	322.271	1.835	50	20	DDGD	
Cc1cccc(Cl)c1NC(=O)C(=O)NNC(=O)CC(C)C	298350736	FJVBCIFPFRCFNP-UHFFFAOYSA-N	311.769	1.780	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cc(C)cc(C)n2)cc1	801081859	DUUOEJXKXKKXTL-UHFFFAOYSA-N	313.357	1.847	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=Cc1cnccn1	807949196	DZVQEXWSVWHJJA-UHFFFAOYSA-N	300.318	1.404	50	20	DDGD	
C[C@@H](CBr)COC(=O)C(C)(C)N1CCOCC1	805558020	XMUQSOQNOSSEJX-JTQLQIEISA-N	308.216	1.671	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2ccc(C(C)(C)O)cc2)n[nH]1	807960194	BJOMPPJGJWMBTJ-UHFFFAOYSA-N	300.362	1.638	50	20	DDGD	
CCc1c(C(=O)NNC(=O)Cc2ccccc2OC)ccn1C	290122327	ZLJPUFYWGVZMQG-UHFFFAOYSA-N	315.373	1.600	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)NCC(F)(F)F)n(C)c1C	800810060	FHXGFJZCAIKGIV-UHFFFAOYSA-N	320.271	1.316	50	20	DDGD	
Cn1nncc1NNC(=O)[C@@H](OC1CCCC1)c1ccccc1	816769555	NOWMQESXIIILEL-HNNXBMFYSA-N	315.377	1.959	50	20	DDGD	
Cc1cc(F)ccc1CCNC(=O)NNc1ncncc1F	814311777	XHJZJQXSXPKGRV-UHFFFAOYSA-N	307.304	1.932	50	20	DDGD	
CN(NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)C1CC1	819645375	IAIRSNXZOZQAPS-CQSZACIVSA-N	303.362	1.543	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cccc(O)c1Cl	814864810	IYZAMNYPKOUWFR-VIFPVBQESA-N	300.742	1.547	50	20	DDGD	
Cc1cccc(OCCCCC(=O)NNc2cnnn2C)c1	816770536	BLEIHOYZYFWTBF-UHFFFAOYSA-N	303.366	1.816	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc2c(c1)CCCC(=O)N2	819140713	MNWQPHBJCDJSTJ-UHFFFAOYSA-N	301.346	1.523	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1nc2c(s1)CCCC2	814761300	UDOQSFNPJWRCFU-UHFFFAOYSA-N	306.391	1.094	50	20	DDGD	
COC(=O)c1csc(C(C)=NNC(=O)N=c2cc[nH]cc2)c1	815001083	XTYQWEPZMPBTPO-UHFFFAOYSA-N	318.358	1.897	50	20	DDGD	
COc1ccc(NNC(=O)C(C)(C)C(N)=O)c(C(F)(F)F)c1	816701625	CYCQTMQFUYESGV-UHFFFAOYSA-N	319.283	1.669	50	20	DDGD	
CC1CCN(C(=O)C(=O)NNc2nc3ccccc3n2C)CC1	816577464	NBJPTIJDDPFEDL-UHFFFAOYSA-N	315.377	1.275	50	20	DDGD	
CCc1cnc(C=NNC(=O)C(=O)Nc2ccccn2)s1	814869130	CQOKPDOEUOWAPT-UHFFFAOYSA-N	303.347	1.189	50	20	DDGD	
Cc1ccn(CC(=O)NNc2nc3ccccc3n2C)c(=O)c1	816577604	SDMDXCKTRAGJHQ-UHFFFAOYSA-N	311.345	1.187	50	20	DDGD	
CN(NC(=O)c1ccc(S[C@H]2CCOC2=O)cc1)C1CC1	819649092	FDIAIXNFVGNBTR-ZDUSSCGKSA-N	306.387	1.833	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)Cc1cccnc1	728850849	DDGSKTIUOORPSD-NSHDSACASA-N	317.320	1.378	50	20	DDGD	
CCN(CCNC(=O)NNC(=O)c1ccccc1F)C(C)C	726713553	GVJJPZVCGAASAV-UHFFFAOYSA-N	310.373	1.500	50	20	DDGD	
CCN(CCO)NC(=O)CCc1ccc(-c2ccccc2)[nH]1	823852897	RTWMDUSNUYKNAG-UHFFFAOYSA-N	301.390	1.960	50	20	DDGD	
O=C(NNC(=S)NCCc1ccccn1)c1ccccc1O	726120121	DWQQTGMPNPWFGT-UHFFFAOYSA-N	316.386	1.139	50	20	DDGD	
O=C(NNc1ccccc1)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F	821143241	KBUKEASUEMOFSE-NXEZZACHSA-N	322.308	1.353	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)/C=C\C2CCOCC2)c1	491879827	BYEKLJWBCFJZEW-SREVYHEPSA-N	317.389	1.496	50	20	DDGD	
CCN(CCO)NC(=O)CCCOc1ccccc1Cl	823852475	IDIXFVSJGNLCIY-UHFFFAOYSA-N	300.786	1.844	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccnn1CCc1ccccc1	823906827	DBFSSHLTEHBBBT-ZDUSSCGKSA-N	302.378	1.083	50	20	DDGD	
Cc1ccc(CC(=O)NNc2cccc(-c3nn[nH]n3)c2)s1	826286544	GWDICIHAOOBQKC-UHFFFAOYSA-N	314.374	1.922	50	20	DDGD	
CCO[C@H]1C[C@@H](NCC(=O)NNC(=O)C(C)C)C1(CC)CC	828936248	LTBXNTKTYHSDEQ-OLZOCXBDSA-N	313.442	1.363	50	20	DDGD	
COc1cccc(-c2cc(C(=O)NN(C)[C@@H](C)CO)n[nH]2)c1	823945916	AJGWJMKHDMJOBW-JTQLQIEISA-N	304.350	1.043	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)c1	824044542	SRQHKWIOYGSXCH-XUJVJEKNSA-N	317.389	1.691	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNC(=O)c2ccc(Cl)nc2)cc1	821544349	OJAAVKDZRKIFMI-UHFFFAOYSA-N	319.704	1.508	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cc(C)c(Cl)c(C)c1	497040549	XMDKIUHBRMHYGN-UHFFFAOYSA-N	313.741	1.673	50	20	DDGD	
CC(C)[C@H](CC(F)(F)F)NCc1ccc(B(O)O)cc1F	585037189	UEYAQFZPALJRFT-LBPRGKRZSA-N	307.096	1.572	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@H](CO)CC2CCCC2)cn1	491163256	VTYGVCIFSJTQIH-XDMSJONFSA-N	316.405	1.632	50	20	DDGD	
O=C(/C=C\C1CCCC1)NNC(=O)c1ccc2c(c1)OCCO2	493397991	HOPNKCYNCFXLCT-YVMONPNESA-N	316.357	1.965	50	20	DDGD	
CCCCC[C@@H](O)C(=O)NNc1ccc(S(C)(=O)=O)cc1	827506467	SKPFODNKUYLMBX-CYBMUJFWSA-N	314.407	1.474	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H]1CCc2cc(F)ccc21	823816697	XXMINIZAYVZPFL-ZDUSSCGKSA-N	309.341	1.222	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNC(=O)OCC(F)(F)F)C(C)C	824618989	ASIWPCFWTURNNG-ZETCQYMHSA-N	314.260	1.141	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1ccc([N+](=O)[O-])c(O)c1	728786676	SKPDFYGKXBYNQT-UHFFFAOYSA-N	300.274	1.388	50	20	DDGD	
OB(O)[C@@H]1CCN(Cc2cnc(CCc3ccccc3)s2)C1	585076403	NHZSTALDIHBZSL-CQSZACIVSA-N	316.235	1.977	50	20	DDGD	
C=CC(=O)N(CC)CC(=O)NNc1ccc(C(=O)OC)c(F)c1	909359797	NYNAJLWBFRKUOB-UHFFFAOYSA-N	323.324	1.090	50	20	DDGD	
CCc1onc(C)c1C=NNC(=O)[C@H]1COc2ccccc2O1	901128742	LPUTUPJPXHUMKV-OAHLLOKOSA-N	315.329	1.836	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCc3ccccc3[C@@H]2CO)cn1	491086752	VAXNIUFPYQIUJW-BXUGYJKXSA-N	322.368	1.445	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)COCc1ccccc1)C1CC1	738496541	SCWCIGWWYUUEEU-LBPRGKRZSA-N	305.378	1.580	50	20	DDGD	
CC(C)NC(=O)OC1CN(C(=O)[C@]2(C)C[C@H]2Br)C1	908215480	WGYXGOJXJIETDB-BXKDBHETSA-N	319.199	1.505	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H](C)C#N)cc1	735836174	DNVHGSKYOKGQRF-GHMZBOCLSA-N	305.334	1.160	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)NCC(F)(F)F)C[C@@H]1Br	907967344	MBDORLMNDJYYOF-MHTLYPKNSA-N	318.093	1.053	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cc(C)n(C(C)C)n2)n1	822208833	KFRVWQATDGRDBP-UHFFFAOYSA-N	318.381	1.047	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN2C(=O)N(CC(C)C)C[C@H]2C1	491100319	APAGFOSWLJDJAJ-YPDDLIOESA-N	320.393	1.035	50	20	DDGD	
Cc1cc(NNC(=O)CCCc2ccc(F)cc2)nc(N)n1	828371127	GAUMAWQGEHWBQI-UHFFFAOYSA-N	303.341	1.972	50	20	DDGD	
C[C@@H]1CC[C@@H](CNC(=O)NNC(=O)CCOc2ccccc2)O1	838746194	TVNIFYAWNAKFRX-OCCSQVGLSA-N	321.377	1.353	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@@H](C)C[C@H](C)N)c1ccccc1	831212806	WEIRBMHUCPEQAL-OBJOEFQTSA-N	306.410	1.636	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@@H](O)C2CCC2)cc(C#N)n1C	491083671	MHOPDLGWNWLWMU-QHDPKREISA-N	312.373	1.389	50	20	DDGD	
Cc1nn(C)cc1C(=O)NNC(=O)c1ccc(Cl)cc1O	733360371	UYGVCBSWBYBWJM-UHFFFAOYSA-N	308.725	1.162	50	20	DDGD	
Cc1csc([C@H](C)C(=O)NNc2cc(Cl)nc(N)n2)n1	831988751	SOMRAQWFBKJGCP-ZCFIWIBFSA-N	312.786	1.724	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2cc(F)c(F)cc2F)CCC(=O)N1	838732386	DBNQSUUFXYYBEF-ZDUSSCGKSA-N	316.283	1.399	50	20	DDGD	
O=C(COc1cccc(-c2nn[nH]n2)c1)NNc1ccccc1	737925639	XBQMAFQQQKEKCM-UHFFFAOYSA-N	310.317	1.389	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cncc(O)c1	731867116	VJTWOFWHFJOJOV-VIFPVBQESA-N	319.292	1.155	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cncc(-c2cnn(C)c2)c1	731183732	GUIDAHSBJYIVIN-UHFFFAOYSA-N	301.350	1.289	50	20	DDGD	
OB(O)c1ccc(-c2noc([C@H]3CCC[C@@H]3C(F)F)n2)cc1	585053094	BBFXKGUUAHWRNH-QWRGUYRKSA-N	308.093	1.565	50	20	DDGD	
CC(C)(C)C(=O)Nc1nccnc1C(=O)NCC(Cl)Cl	837649372	KYLIWIPKJDDORR-UHFFFAOYSA-N	319.192	1.995	50	20	DDGD	
C[C@H]1CC=C(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)CC1	836789141	HPNLSKNLFGJUBA-AAEUAGOBSA-N	300.424	1.225	50	20	DDGD	
O=CN1CCC[C@H]1C(=O)NNc1ccccc1OC(F)(F)F	832518039	UPRLKRKCJISBPQ-JTQLQIEISA-N	317.267	1.649	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)c2c1CCC2	833236025	OFYDXPVVTPAMFM-OAHLLOKOSA-N	302.374	1.814	50	20	DDGD	
CCN1C[C@@H](NC(=O)c2c(C)nn(CCCl)c2C)CC1=O	834297523	ZKVJLLBSBLWDNR-NSHDSACASA-N	312.801	1.089	50	20	DDGD	
OB(O)c1ccc(CN[C@H](CC(F)F)c2ccccc2)c(F)c1	585048021	IWVOSNASZVXBJW-OAHLLOKOSA-N	323.123	1.992	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1cc2c(cn1)CCCC2	836633390	IWIYOMNOSGXWJO-CYBMUJFWSA-N	318.377	1.682	50	20	DDGD	
O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)CCCCl	739561102	VUXUFIYMAOWXOJ-VWYCJHECSA-N	309.815	1.663	50	20	DDGD	
C[C@@H]1CC[C@H](CNC(=O)NNC(=O)c2cc3c(s2)CCC3)O1	838742136	ONRBLAFYILVHBP-MWLCHTKSSA-N	323.418	1.748	50	20	DDGD	
CO[C@@H](C1CC1)[C@H](C)NC(=O)NNC(=O)Cc1ccc(F)cc1	836640146	CARIIXPHTHBPBC-ZUZCIYMTSA-N	323.368	1.512	50	20	DDGD	
O=C(NNc1nccc2sccc12)[C@H]1CC(=O)N(C2CC2)C1	734249731	IYACCTVCKALWOU-VIFPVBQESA-N	316.386	1.750	50	20	DDGD	
C=C[C@@](C)(O)C(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	834584251	OJKILITWHVBCEP-LKFCYVNXSA-N	312.753	1.192	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNC(=O)[C@@H](CC)c1ccccc1	836605666	XVBCRKKROKCTBI-ZNMIVQPWSA-N	317.389	1.854	50	20	DDGD	
N#Cc1cnc2c(F)ccc(Cl)c2c1N1CC[C@H](B(O)O)C1	585073908	QGSLSCQRVFQMKH-VIFPVBQESA-N	319.532	1.952	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1nc(C(F)(F)F)co1	839136909	ZUIZPTZGWWCAKE-LURJTMIESA-N	322.243	1.415	50	20	DDGD	
O=C(NCc1cn2ccccc2n1)NNc1ccc(Cl)nn1	915907139	BOSHXTZHSATEJG-UHFFFAOYSA-N	317.740	1.604	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)CC(F)(F)F	918703626	DRAZHIACLOSQPD-UHFFFAOYSA-N	311.304	1.029	50	20	DDGD	
CCOC[C@@H]1CCCCN1CC(=O)NNC(=O)c1ccccc1	839184204	QWQXXQCSDHPLFP-HNNXBMFYSA-N	319.405	1.339	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@@H]2CCCSC2)cc1	838504543	QPAOAOCBRIWUDD-LLVKDONJSA-N	324.406	1.927	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc([N+](=O)[O-])cc1	831677758	IHDVRKZIEPGLCR-KWQFWETISA-N	308.294	1.173	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1ccc(C2CC2)nn1	836457439	DEGOGGVMICYOBF-LLVKDONJSA-N	305.338	1.076	50	20	DDGD	
COc1cc(C=NNC(=O)C2CCCC2)cc([N+](=O)[O-])c1O	914836383	JITHTEMQBPVASQ-UHFFFAOYSA-N	307.306	1.949	50	20	DDGD	
COCCn1cc(C=NNC(=O)CNc2ccc(C)cc2)cn1	743421888	KQAJUNBNURJUKF-UHFFFAOYSA-N	315.377	1.400	50	20	DDGD	
O=C(NNC(=O)C(F)(F)C(F)F)c1c[nH]c2ccccc12	749334509	HTFRTVZWVKTCTC-UHFFFAOYSA-N	303.215	1.829	50	20	DDGD	
COc1cc(NNC(=O)Nc2nnn(C)c2C)ccc1Cl	841791968	MXWSJSDTFGSFMD-UHFFFAOYSA-N	310.745	1.934	50	20	DDGD	
C[C@H](N)[C@H]1CN(C(=O)[C@@H](Br)C(C)(C)C)CCO1	843357676	URIWKUPRFXFART-IVZWLZJFSA-N	307.232	1.371	50	20	DDGD	
O=C(CCNC(=O)c1ccsc1)NNC(=O)C1CCCC1	914843758	XZWJOORZIDKZND-UHFFFAOYSA-N	309.391	1.206	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C	748232278	OWVVJRVYXFMTLD-NSHDSACASA-N	312.414	1.154	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNC(=O)Cn1ccc2ccccc21	841107786	VJTAODJYXTVYAZ-OAHLLOKOSA-N	317.389	1.850	50	20	DDGD	
C[C@@H](CN)CNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	841962094	GOMJWUOVFJLCGS-NSHDSACASA-N	306.410	1.523	50	20	DDGD	
CC(C)C(=O)NNC(=O)Cn1ccnc1[C@H](O)C1CCCCC1	849952447	YPDZAOOWCJSZBZ-CQSZACIVSA-N	322.409	1.300	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cn(C)nc2C2CCC2)o1	840386370	DKVJANFKCJHSSU-UHFFFAOYSA-N	302.334	1.664	50	20	DDGD	
CC(C)N1C(=O)C(=NNC(=O)Cc2ccncc2)c2ccccc21	747641970	LLWRCOMLEJXPFK-UHFFFAOYSA-N	322.368	1.900	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1cccc(F)c1	843652105	QWYKWFPRTLAQRB-JTNHKYCSSA-N	308.353	1.892	50	20	DDGD	
Cc1ccccc1[C@@H]1C[C@H]1NC(=O)NNC(=O)[C@H]1CCCCO1	845378641	RZOCKARKEDRVOU-RRFJBIMHSA-N	317.389	1.750	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN(C2CCCCC2)C1)C1CCCC1	748839656	DBVLNYLZCGIZFJ-CQSZACIVSA-N	307.438	1.979	50	20	DDGD	
O=C(NNC(=S)NC[C@H]1CCOC1)c1cccc(Cl)c1	749637533	AQOGJOYYQKKBMO-SECBINFHSA-N	313.810	1.485	50	20	DDGD	
CCC(=NNC(=O)c1nnc(O)c2ccccc12)c1cnn(C)c1	741812532	XIRUGFOSIFKWMM-UHFFFAOYSA-N	324.344	1.613	50	20	DDGD	
CCNCCNC(=O)NNC(=O)c1cc(C)nc2ccccc12	841935191	RGYQIXZKSMHDNE-UHFFFAOYSA-N	315.377	1.097	50	20	DDGD	
C[C@@]1(C(=O)NNc2ncc(Br)cn2)CCCNC1	848436505	UCOLHMYGQNDYHA-LLVKDONJSA-N	314.187	1.072	50	20	DDGD	
O=C(NNc1cccc(F)c1F)N[C@H]1CCN(CC(F)F)C1	842198156	YXITUQHGUCAKOV-QMMMGPOBSA-N	320.290	1.930	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)[C@@H]1C[C@H]1C1CCC1	846633811	FBFQJADQJWLDOY-UONOGXRCSA-N	302.374	1.908	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)C(C)(C)CO)cc1	847285729	SVXAMTYRKNBBES-UHFFFAOYSA-N	311.407	1.421	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)c2ccn(CCN(C)C)n2)c1	847601808	IAPGXIDQQGZFOO-UHFFFAOYSA-N	301.394	1.818	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(N(C)C)c(F)c1	748253653	QCOGBBCLPLWBQQ-LLVKDONJSA-N	311.357	1.393	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NC[C@H](OC)C(C)C)cc1	845024352	AGGAFBVEWORWAV-AWEZNQCLSA-N	323.393	1.699	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc2ccsc2c1	843651747	FJZMSENRGRQNCK-WCBMZHEXSA-N	305.359	1.482	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H]2O[C@H](C)C[C@H]2C)cc1	846376422	ZMHCKKHEIHDOAG-UEKVPHQBSA-N	306.362	1.659	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(Cl)c(F)c1)[C@@H](C)S(C)(=O)=O	841407425	DOBDYLVHANKVLK-HTQZYQBOSA-N	322.789	1.991	50	20	DDGD	
CCCCNC(=O)NN=C(C)c1ccc(-n2cnnn2)cc1	920750629	FZFDQJMUCCAUTI-UHFFFAOYSA-N	301.354	1.486	50	20	DDGD	
C[C@H]1COC[C@H]1NC(=O)NNC(=O)c1cn(C)c2ccccc12	925992531	AGAJCBUQTCZXSZ-GXFFZTMASA-N	316.361	1.157	50	20	DDGD	
O=C(NCc1ccco1)NNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2	920833515	SOEYABAOFBYLRW-NHCYSSNCSA-N	308.407	1.647	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNc2cc(Cl)nc(N)n2)c1	753452005	MYYFTWJMCJLEDB-UHFFFAOYSA-N	321.768	1.851	50	20	DDGD	
Cc1ncc(NC(=O)NNC(=O)c2cc3c(s2)CCC3)cn1	756371418	ZPDJCKORAYOJJM-UHFFFAOYSA-N	317.374	1.802	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1cc(C)oc1C	853388727	RXVMPBLODKQXNL-HIFRSBDPSA-N	305.378	1.600	50	20	DDGD	
CCC(=NNC(=O)C(=O)N1CCCC1)c1ccc(N(C)C)cc1	759195953	IZIHOMDMUKZLJB-UHFFFAOYSA-N	316.405	1.605	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)[C@H]2CCO[C@@H]2C)cc1F	853368070	BBULCJIXVZMUPL-KOLCDFICSA-N	308.309	1.487	50	20	DDGD	
CN1CCC[C@@H](NC(=O)NNc2ccc(F)cc2Cl)C1=O	921313509	YOUBCTDEYXSMGL-LLVKDONJSA-N	314.748	1.726	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cn(C2CC2)nn1	858145590	YVBPLZUYKQDDBP-UHFFFAOYSA-N	324.344	1.098	50	20	DDGD	
CN(C)CCn1cc(NC(=O)NNc2ncc(Cl)cn2)cn1	856841815	LFDGVFVHDVJKDF-UHFFFAOYSA-N	324.776	1.037	50	20	DDGD	
CN(CC1(O)CCC1)C(=O)NC[C@]1(C)C[C@H]1Br	856953725	TUUHSEYEAUTLID-KOLCDFICSA-N	305.216	1.716	50	20	DDGD	
CC(C)(C)OC(=O)CCNC(=O)NNc1ncc(Cl)cn1	856870866	WKZNUJAPZDNOGS-UHFFFAOYSA-N	315.761	1.488	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccnc(Cl)c2)[C@@H]2CCCC[C@@H]2N1	855465998	FVEFLJVIKBITLQ-SRVKXCTJSA-N	322.796	1.873	50	20	DDGD	
COCCOc1cccc(NC(=O)NNC(=O)c2ccc[nH]2)c1	756009349	HSNYXAITQOBVLN-UHFFFAOYSA-N	318.333	1.506	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNc1cccc(C(=O)OC)c1C	855626202	WLEAMODDFDAQSL-UHFFFAOYSA-N	322.361	1.814	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@@H]1CCc2cc(F)ccc21	854287975	QYPMUBHCKZAFBW-CYBMUJFWSA-N	301.321	1.655	50	20	DDGD	
CN(C)c1ncc(CNC(=O)NNc2cc(F)ccc2F)n1C	921364309	BZNXTLVFSKSFQD-UHFFFAOYSA-N	324.335	1.591	50	20	DDGD	
Cn1ccc(CNC(=O)NC[C@]2(C)C[C@@H]2Br)c1	856838609	LWGXWWUNXVPWQQ-JQWIXIFHSA-N	300.200	1.998	50	20	DDGD	
C[C@H]1C[C@@H]1C=NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1	758367481	MNIOEDNECFUACI-CMPLNLGQSA-N	309.391	1.309	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NC[C@@]1(C)C[C@H]1Br	857392623	BAFXWHMXQNPXDC-NQBHXWOUSA-N	319.243	1.244	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)Cn2nc(C)cc2C)cn1	757732711	KBSIBUCHXUQYIR-UHFFFAOYSA-N	302.338	1.056	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2C=CCC2)c(OC)c1	852069592	HKGMRDXLMQBLBF-SNVBAGLBSA-N	305.334	1.366	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)c2c[nH]nc2C)C[C@H]1C	758109756	KZPSIISUHLBSIS-SKDRFNHKSA-N	306.366	1.803	50	20	DDGD	
CCC[C@@H](O)CC(=O)NNC(=O)c1cccc(OC(F)F)c1	750292582	VIENMVMWXGUEAY-SNVBAGLBSA-N	316.304	1.600	50	20	DDGD	
O=C(CCC(=O)c1ccccc1)NNC(=O)OCC(F)(F)F	856026519	BYPNAQHAXZKGAG-UHFFFAOYSA-N	318.251	1.969	50	20	DDGD	
C[C@]1(CNc2nnc(Cl)cc2C(N)=O)C[C@H]1Br	856786970	SZHXFGCEQLHZMH-LHLIQPBNSA-N	319.590	1.814	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1cc(F)ccc1F	750937169	SRJPBCNFEHMPBK-UHFFFAOYSA-N	307.256	1.438	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(F)cc(Cl)c1)[C@H](C)S(C)(=O)=O	855620105	KYVOJUOEUQPNDC-SFYZADRCSA-N	322.789	1.991	50	20	DDGD	
CC1(C)CC(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC(C)(C)C1	858348694	DLGNVCUTPCJZLM-LLVKDONJSA-N	324.425	1.200	50	20	DDGD	
CCCNC(=O)CCCC(=O)NC[C@]1(C)C[C@H]1Br	857404870	ZZXRHUHKDKYWRR-MFKMUULPSA-N	319.243	1.973	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cc(-c2ccco2)on1)C1CC1	751621358	UJPONFZRQHGEJX-MRVPVSSYSA-N	320.374	1.842	50	20	DDGD	
C[C@H]1CCCc2ncc(C(=O)NNC(=O)c3cccc(F)n3)n21	856427794	FRIRJHHHRGUTAJ-VIFPVBQESA-N	317.324	1.389	50	20	DDGD	
O=C(CC[C@@H]1CC1(Cl)Cl)NNC(=O)[C@H]1CCCCO1	854683031	JXXSWVCBTLOSRY-RKDXNWHRSA-N	309.193	1.677	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H]1CCN(C)C(=O)C1	751169515	HJQPIVKXIDRAKA-VIFPVBQESA-N	308.290	1.377	50	20	DDGD	
CCn1nccc1NC(=O)NNC(=O)Cc1ccc(Cl)cc1	757902705	FUKIVELZMAODEU-UHFFFAOYSA-N	321.768	1.952	50	20	DDGD	
C[S@@](=O)CCN1CCN(/C(=C/C#N)c2ccccc2)CC1	755949109	GFVBFLBOGCLWKX-QLKYELJLSA-N	303.431	1.547	50	20	DDGD	
COc1ccc2c(c1)CC[C@@H](NC(=O)NNc1cccnn1)C2	753289849	ZCGWODRVHGVLPS-CYBMUJFWSA-N	313.361	1.669	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cnn(C2CCC2)c1	934305269	HYTGKCHLADTWAJ-CABZTGNLSA-N	307.354	1.186	50	20	DDGD	
COCCOCC(=O)NNC(=O)C(C)(C)c1ccc(C)cc1	869908888	APYOZLOSTAWFFZ-UHFFFAOYSA-N	308.378	1.083	50	20	DDGD	
C[C@H](c1ccccc1F)[C@H](O)C(=O)NNC(=O)[C@@H]1CCCCO1	868618982	DLKSTDVDWXCTSC-SWHYSGLUSA-N	324.352	1.007	50	20	DDGD	
COc1nccnc1NNC(=O)Cc1c[nH]c2cc(F)ccc12	764460102	IMSYCJQLFZBJFP-UHFFFAOYSA-N	315.308	1.791	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)CC)cc1	764083916	KPZFBTPNHWOUTD-SNVBAGLBSA-N	307.350	1.217	50	20	DDGD	
C[C@@H](c1ccccc1F)[C@@H](O)C(=O)NNC(=O)c1cccn1C	864594115	NYDZKXWFOSBONF-IINYFYTJSA-N	319.336	1.090	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H]2CCN(C(=O)c3ccccc3)C2)cc[nH]1	862516282	OADDRTJGFBMWOI-OAHLLOKOSA-N	324.384	1.417	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1Cl	862451755	AKLIWKZTMGQHOK-LAUAKBEESA-N	321.764	1.169	50	20	DDGD	
N#C/C=C/CN1c2ccccc2N(C/C=C/C#N)S1(=O)=O	763303267	IHIVYOXQWVEFRX-GGWOSOGESA-N	300.343	1.717	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)cc[nH]1	862511988	FUKNEWFKVGTKRW-VXGBXAGGSA-N	322.409	1.804	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1c(C(F)F)nc2ccccn12	868861002	MVFDFSKWIHBYDT-UHFFFAOYSA-N	313.333	1.353	50	20	DDGD	
O=C(NC[C@H]1CCCS1(=O)=O)NNc1ccc(F)cc1	767172888	HLVFQOAHFFMKSL-LLVKDONJSA-N	301.343	1.029	50	20	DDGD	
Cc1ccc(C(=O)NNC(=S)NCC2CCN(C)CC2)o1	760490713	JEZBNILGFAODQQ-UHFFFAOYSA-N	310.423	1.039	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=C(C[C@@H]2CCOC2)c2ccccc2)N1	863147652	LBUPEUNDYBCRLL-JSGCOSHPSA-N	315.373	1.212	50	20	DDGD	
CS[C@H](C)CC(=O)OCC(=O)NNC(=O)c1cccc(C)c1	766921040	STIXSCGWIKPUCV-LLVKDONJSA-N	324.402	1.441	50	20	DDGD	
CCOc1nccc(C)c1C(=O)NNC(=O)c1ccncc1	765186667	ITRMONLAXXKASU-UHFFFAOYSA-N	300.318	1.259	50	20	DDGD	
CC(C)(C)OC(=O)C1CCC(=NNC(=O)[C@@H]2CCC(=O)N2)CC1	863147486	GVQQPLDAOHINKQ-KFJBMODSSA-N	323.393	1.269	50	20	DDGD	
O=C(C[C@@H]1CCS(=O)(=O)C1)NNc1nccnc1C1CCC1	1117518488	VNEPROQRDUNJJU-JTQLQIEISA-N	324.406	1.012	50	20	DDGD	
CN(C)CC(=O)NN=C1CCCOc2cc3c(cc21)CCC3	768485218	MWRNRFMKZMUYQP-UHFFFAOYSA-N	301.390	1.730	50	20	DDGD	
CC(C)OC(=O)CCNC(=O)NNc1ncnc2ccsc12	765629117	VPPXTYWZQMASMU-UHFFFAOYSA-N	323.378	1.659	50	20	DDGD	
CCC(C)(C)OCc1ccccc1NC(=O)NNC(=O)CCO	1116636408	WTDDANOXNNLYTG-UHFFFAOYSA-N	323.393	1.927	50	20	DDGD	
CCOCC(=O)NN=Cc1cn(C)nc1-c1cc(F)ccc1F	872350698	XTTOLKMWVDLXNW-UHFFFAOYSA-N	322.315	1.852	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)Cc1ccncc1	765843775	FJQSWPMWJVJQPE-UHFFFAOYSA-N	317.370	1.269	50	20	DDGD	
O=C(NC[C@H]1COCCN1)[C@@]12CC[C@@H](C[C@@H]1Br)C2	877039702	OBCIKKGJZZEPHI-MRBYEJRBSA-N	317.227	1.045	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc(O[C@H](C)C#N)cc1	872402608	ILQURBZGJFTPLN-GFCCVEGCSA-N	305.334	1.091	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)C1CCSCC1	777431089	WRJHPZBMZWTXTG-GFCCVEGCSA-N	313.467	1.590	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)[C@@H](CC)c2ccccc2)nn1C	1116526804	DLALLIFBUOZBCQ-AWEZNQCLSA-N	314.389	1.937	50	20	DDGD	
O=C(NN=Cc1ccc(F)nc1)c1nnc(O)c2ccccc12	777422827	IRGMFMHWLNUWIV-UHFFFAOYSA-N	311.276	1.633	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(OCC(F)(F)F)nc1	770548782	IZOBCBHPLNAKJK-UHFFFAOYSA-N	320.271	1.329	50	20	DDGD	
CO[C@@H]1CN[C@](C)(C(=O)NC[C@]2(C)C[C@@H]2Br)C1	876986059	XEYOWENBPBUWJU-QSFUFRPTSA-N	305.216	1.043	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874951597	PNFOJVDBCBGJSD-CHWSQXEVSA-N	322.434	1.495	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@@H](F)Cc2ccccc2)n1	778505642	HSFKBIBDKNSCQT-LBPRGKRZSA-N	303.341	1.567	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)c1ccc(CC)cc1)[C@H]1CCCO1	773557635	FYQXDHXIVPJGEF-LSDHHAIUSA-N	315.373	1.374	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNc1ccccc1S(C)(=O)=O	771648976	KMUHBJZBBJETFC-ZDUSSCGKSA-N	300.380	1.084	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1cc(F)c(N)c(F)c1	872399842	DOEFENLYEDAYSI-UHFFFAOYSA-N	301.293	1.050	50	20	DDGD	
C#CCN(CC(=O)NNC(=O)Cc1ccccc1C)CC1CC1	1117992869	GSTPPKSGCAQKFF-UHFFFAOYSA-N	313.401	1.030	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)COc1ccccc1CC	877918328	PLZOAZHUBBAXSG-UHFFFAOYSA-N	308.378	1.590	50	20	DDGD	
CC(C)[C@H]1CN(C(=O)NNC(=O)c2ccc(C#N)cc2)CCO1	778639021	CPFCJUSYNRWTTM-CQSZACIVSA-N	316.361	1.269	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC2CC2)nn1C1CCCCC1	776704544	CPAZKMXKDPVXCX-UHFFFAOYSA-N	305.382	1.803	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(Cl)cc1F	771916379	ZWNIPLOWHIGXNW-SSDOTTSWSA-N	316.716	1.582	50	20	DDGD	
NCCSCc1cn(/C(Cl)=C\CBr)nn1	881310965	VCFIPQXIHZJCPH-QPIMQUGISA-N	311.636	1.902	50	20	DDGD	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)NNC(=O)C1CCOCC1)C2	883130578	KDWWRACEUWKSHJ-DCGLDWPTSA-N	323.437	1.958	50	20	DDGD	
CC(C)S(=O)(=O)CC(=O)OC[C@H](C)CBr	770346042	JNFJGFMWCCPVLK-MRVPVSSYSA-N	301.202	1.384	50	20	DDGD	
COC(=O)CC1(NS(=O)(=O)CCCCl)CCCCC1	881960738	QKNBBGKOIBQYHT-UHFFFAOYSA-N	311.831	1.801	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@]12CCc1ccccc12)C1CCOCC1	883064408	BENGKUIJZNQPOJ-CRAIPNDOSA-N	314.385	1.465	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@@H](CO)c1cccc(F)c1	780794249	HZOHRIYHECIVFF-LBPRGKRZSA-N	309.790	1.798	50	20	DDGD	
COC(=O)COc1c(C)cc(C=NNC(=O)C(F)F)cc1C	782235596	YCEINOHQRMTENW-UHFFFAOYSA-N	314.288	1.570	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNc2cccnn2)c(C)c1	784858580	RAXZAYXTNYZFDA-UHFFFAOYSA-N	315.333	1.266	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=Cc1sccc1Cl	782249079	HWEUZKXXMZWAFA-UHFFFAOYSA-N	322.777	1.677	50	20	DDGD	
Cc1ccc([C@H](O)[C@@H](C)NS(=O)(=O)CCCCl)cc1	882190784	NYOQVFQBDYFVGX-DGCLKSJQSA-N	305.827	1.965	50	20	DDGD	
O=S(=O)(CBr)N(CCO)CCc1ccccc1	782454490	AICDQASCZFPRCN-UHFFFAOYSA-N	322.224	1.206	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)C(C)C)c(N2CCCC2)n1	781385449	ALDDBYNPDWYLGR-UHFFFAOYSA-N	319.409	1.477	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1	780708117	BFVIERWOHIGJBO-UONOGXRCSA-N	304.394	1.549	50	20	DDGD	
CC(C)C(C)(C)C(=O)NNC(=O)c1nnc(O)c2ccccc12	784292292	QDTALRGQXXBLCV-UHFFFAOYSA-N	316.361	1.779	50	20	DDGD	
CCN(CC)C(=O)CCCC(=O)NNC(=S)NC(C)(C)C	899995481	RFOBDKDTORKVTH-UHFFFAOYSA-N	316.471	1.319	50	20	DDGD	
Cn1ncc(C(=O)NNC(=S)NC(C)(C)C)c1C(F)(F)F	899991864	CJQMZPOBFYAPDR-UHFFFAOYSA-N	323.344	1.346	50	20	DDGD	
CCn1cc(C(=O)NN(C)CCOC)c(-c2ccccc2)n1	897722204	UDESBZIYQRXOGJ-UHFFFAOYSA-N	302.378	1.793	50	20	DDGD	
O=C(NNC(=O)c1ncsc1-c1ccccc1)NC1CC1	783576146	MEIZDGQSUPJOKO-UHFFFAOYSA-N	302.359	1.917	50	20	DDGD	
CSSCCNC(=O)c1cc(S(N)(=O)=O)ccc1C	791113280	BBWKVMGUGYJGET-UHFFFAOYSA-N	320.461	1.383	50	20	DDGD	
O=C(CCc1cnccn1)NNC(=O)c1ccc(Cl)cc1F	793602360	UANVHMRRMOINLG-UHFFFAOYSA-N	322.727	1.663	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)C2=S=C3CCCC3=C2)o1	794181123	SBEYRUHGSJACIL-UHFFFAOYSA-N	301.327	1.114	50	20	DDGD	
CN(CCc1ccccc1)CC(=O)NNC(=S)NC(C)(C)C	899999251	FTCORZXTXKYLBW-UHFFFAOYSA-N	322.478	1.455	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H](C)c1ccc2c(c1)OCO2	794246295	ICANNKYSQNWUIZ-JTQLQIEISA-N	307.350	1.649	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@](C)(O)CSc1cccc(F)c1	794612134	DXIGMIGSYPNQJG-CQSZACIVSA-N	314.382	1.472	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCSCc1ccccc1	792149068	VPNWVTPALBWFLK-UHFFFAOYSA-N	318.402	1.803	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNC(=O)c1cccc(C)n1	794084638	HOPWEBXXSWJJAI-UHFFFAOYSA-N	316.361	1.507	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@](C)(O)COC)cc1C	794646179	IPNKWWJHMOTTQI-OAHLLOKOSA-N	310.350	1.012	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(O[C@H]2CCOC2)cc1	790015160	BAWDHHHYCIBQJC-ZDUSSCGKSA-N	307.350	1.160	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cccc(C)n2)c1	794081522	IFIGSQJZCWCPSI-ZDUSSCGKSA-N	313.357	1.927	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cn1	795280769	MJSJEHVXTKFDKW-UHFFFAOYSA-N	309.322	1.152	50	20	DDGD	
CC1CCC(OCC(=O)NNC(=S)N[C@H](C)C2CC2)CC1	798127375	IVKDKZGKWSVABI-QWKFWESOSA-N	313.467	1.876	50	20	DDGD	
CC(C)n1nccc1C=NNC(=O)[C@H]1COc2ccccc2O1	794456165	NNZQXFGHIPHSFW-OAHLLOKOSA-N	314.345	1.754	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NCCCN2CCCC2)nn1	1318597623	NWGQWLRTSCJAOI-UHFFFAOYSA-N	320.441	1.886	50	20	DDGD	
O=C(NCCc1cscn1)NNC(=O)c1ccccc1Cl	1319252601	MIZMHKORUCHMRJ-UHFFFAOYSA-N	324.793	1.983	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CCc1cccc(F)c1F	1318114417	FZDGQHPOFZEPBU-UHFFFAOYSA-N	301.362	1.801	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NC[C@H]2CCCCO2)nn1	1318944515	HOPHDUVXSMNEIJ-LLVKDONJSA-N	307.398	1.969	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CSC[C@@H]1CCCCO1	1318389801	AANFVDZNXGKZCZ-JTQLQIEISA-N	305.469	1.192	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNc1cncc(Br)c1	1324416796	HQOISBRMDHEVBG-MNOVXSKESA-N	312.167	1.878	50	20	DDGD	
Cc1cc(C)c(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)[nH]1	1320677801	OTXOYGUYFMEKGF-LLVKDONJSA-N	309.366	1.370	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)NCC(=O)N1CCCC1	1334292966	SHOJTSUDEVZCIY-UHFFFAOYSA-N	310.785	1.897	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1Cc2ccc(C)cc2S1	1333573180	DOYIEFNOTURELJ-CQSZACIVSA-N	302.399	1.963	50	20	DDGD	
NC(=O)C[C@@H](NC(=O)c1cccc(CCl)c1)C1CCOCC1	1336388225	GMOUCQDFSHSNPA-CQSZACIVSA-N	324.808	1.826	50	20	DDGD	
C[C@@H](NC(=O)NNc1cc(F)cc(Cl)c1)c1nnnn1C	1263760554	GLIGGDOSAXJTNO-ZCFIWIBFSA-N	313.724	1.390	50	20	DDGD	
CN(C)C(=O)[C@@H]1CCCN(C(=O)[C@]2(C)C[C@@H]2Br)C1	1347346383	UPBLQSGPWSDUHG-GBIKHYSHSA-N	317.227	1.487	50	20	DDGD	
O=C(CN1CCC(CO)CC1)NNc1cccc(F)c1Cl	1353754502	UTKXPMVMBHMHME-UHFFFAOYSA-N	315.776	1.627	50	20	DDGD	
CCn1ncc(Br)c1C(=O)NNC(=O)C1CCC1	1519419928	IMGJILXFLZOIFP-UHFFFAOYSA-N	315.171	1.227	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)[C@H]1CCCC[C@H]1C(=O)O	1601557828	VTYGUGIZWJSOEX-VHSXEESVSA-N	322.390	1.290	50	20	DDGD	
O=C(O)C(=O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1	1601638346	UCFBRACLRFAZGK-UHFFFAOYSA-N	319.298	1.858	50	20	DDGD	
C[C@H]1CC(=O)CC[C@H]1C(=O)NNc1cccc(C(=O)O)c1F	1609842957	UNNCRNOROODDBM-WCBMZHEXSA-N	308.309	1.972	50	20	DDGD	
O=C(Cn1cc(C2CC2)nn1)NNc1cccc(F)c1C(=O)O	1601383861	XPUHCVWIRQTSSV-UHFFFAOYSA-N	319.296	1.136	50	20	DDGD	
Cc1c(CCC(=O)NNc2ccc(F)c(C(=O)O)c2)cnn1C	1600011621	OISMVJDBLYHKQS-UHFFFAOYSA-N	320.324	1.642	50	20	DDGD	
O=C(O)CC1CC(=NNC(=O)Nc2ccc3c(c2)OCO3)C1	1601939603	DVXSGTZPDALQQE-UHFFFAOYSA-N	305.290	1.778	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cncnc1C1CC1	1606857809	SXODKRVOWBXBJM-UHFFFAOYSA-N	322.332	1.291	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1604415813	GGBDPTMPFRVUMV-MWLCHTKSSA-N	322.756	1.388	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSc1ncc(C(=O)O)s1	1609653410	SZIJZHIZBPATNQ-UHFFFAOYSA-N	317.392	1.127	50	20	DDGD	
Cc1cc(C)c(NCC(=O)NN[C@@H](C(=O)O)C2CC2)c(C)c1	1600163131	ATNKQMXTMINFHE-OAHLLOKOSA-N	305.378	1.508	50	20	DDGD	
O=C(C[C@@H]1CCCC[C@H]1O)NNc1cccc(-c2nn[nH]n2)c1	1606587853	CAUPIVCNTGQOEE-GXFFZTMASA-N	316.365	1.251	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(C(=O)O)cc1F	1610373270	UNHMUOVEEVFBHI-UHFFFAOYSA-N	306.253	1.079	50	20	DDGD	
O=C(O)Cc1cccc(NC(=O)NNC(=O)c2ccc[nH]2)c1	1611506563	PBNWLJLWPTZWND-UHFFFAOYSA-N	302.290	1.108	50	20	DDGD	
C[C@@H](CO)N1CCCN(C(=O)C2CCC(Cl)CC2)CC1	1548693039	KTODWSLTNFCAEA-HSBZDZAISA-N	302.846	1.699	50	20	DDGD	
CSCC[C@@H](N)C(=O)NNc1cncc(Br)c1	1579377463	CQGAUOFHGIQOSX-SECBINFHSA-N	319.228	1.368	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2N1)c1ccccn1	1580732955	KYPCMECFQYSWHR-OBJOEFQTSA-N	302.378	1.153	50	20	DDGD	
C/C=C(\C)C(=O)N1CCCC12CN(C(=O)[C@@H](Cl)COC)C2	1845967399	ZPAMYMRNURZAJW-QNCMIEPLSA-N	314.813	1.410	50	20	DDGD	
CN(CC(=O)NNc1cccc(F)c1C(=O)O)CC(C)(C)C	1598396933	YZRFIOJOYLGVEX-UHFFFAOYSA-N	311.357	1.945	50	20	DDGD	
CC[C@@H](NC(=O)NNc1cccc(C(=O)O)c1)c1noc(C)n1	1595252331	JFPSQGPEYMLVIJ-LLVKDONJSA-N	319.321	1.854	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(C)c1ccc(OCC(=O)O)cc1	1596860792	JJKDSBISZNDQKU-LUAWRHEFSA-N	304.302	1.557	50	20	DDGD	
C[C@]1(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)O)C2)C[C@H]1Br	1593758836	UXBJIDUPBHVKSM-GSWGEFNESA-N	302.168	1.529	50	20	DDGD	
C[C@H](NS(=O)(=O)CCl)c1ccc(OCC(=O)O)cc1	1593318590	CZRAJTDVJKVCRC-QMMMGPOBSA-N	307.755	1.327	50	20	DDGD	
O=C(O)c1ccc2c(c1C=NNC(=O)[C@H]1CCCS1)OCO2	1776081952	ONKFAULPPRUKND-LLVKDONJSA-N	322.342	1.459	50	20	DDGD	
O=C(Cc1ccccc1F)NN=Cc1ccc(C(=O)O)c(O)c1	1776043519	USTBUTHUQYZODE-UHFFFAOYSA-N	316.288	1.922	50	20	DDGD	
O=C(/C=C/c1ccc2c(c1)OCO2)NNC(=O)c1ccncc1	15273544	CWIGGUQBRXOUBQ-DUXPYHPUSA-N	311.297	1.285	50	20	DDGD	
C[S@@](=O)Cc1cccc(C(=O)NNC(=O)c2ccccc2)c1	16482901	RCLUPBWVLPTOLM-QFIPXVFZSA-N	316.382	1.640	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H](C)Oc2ccccc2F)n[nH]1	150958412	ZWQMWSOOMUOAMM-JTQLQIEISA-N	320.324	1.015	50	20	DDGD	
CC(C)Oc1cc(CNC(=O)NNC(=O)c2ccc[nH]2)ccn1	151919437	ALHMNJHUSMNYLP-UHFFFAOYSA-N	317.349	1.341	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@H](C)c2c(C)n[nH]c2C)o1	152750791	AHWOVBVXIWSOOM-QMMMGPOBSA-N	304.350	1.883	50	20	DDGD	
CN1C[C@H](C(=O)NNC(=O)c2cccc3ccccc23)CC1=O	157553499	VDBSHHSRAHMDMJ-GFCCVEGCSA-N	311.341	1.079	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNc2nccn(C)c2=O)cc1	156257922	JYWURDNXSVAESG-UHFFFAOYSA-N	316.361	1.210	50	20	DDGD	
CC(C)Cn1ccc2cc(NC(=O)NNC(=O)CCO)ccc21	155960850	GTWMWOCIHGVXJV-UHFFFAOYSA-N	318.377	1.832	50	20	DDGD	
CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(S(=O)(=O)CC(C)(C)CCl)C[C@@H]3C2	867260484	YBCPJEZBOVCACK-PJSNJIKXSA-N	321.870	1.936	50	20	DDGD	
O=C(O)CC[C@H]1CCCN(S(=O)(=O)CBr)C1	309810475	YXLQVICMHTUQBV-MRVPVSSYSA-N	314.201	1.245	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)OC(C)(C)C)cc1Br	497303780	JAUHHZOSORRXLJ-UHFFFAOYSA-N	319.159	1.352	50	20	DDGD	
O=C1CC[C@@H]2CN(CCI)CC[C@H]2N1	852497392	VKQUEFMOSKXJSG-RKDXNWHRSA-N	308.163	1.022	50	20	DDGD	
CNC(=O)CN(Cc1ccccc1)S(=O)(=O)CCCCl	882504874	DZNVOHBEBGAWJD-UHFFFAOYSA-N	318.826	1.193	50	20	DDGD	
CCNC(=S)NNC(=O)c1sc2nc(C)cc(C)c2c1N	7369438	POLZODQPRANJJN-UHFFFAOYSA-N	323.447	1.624	50	20	DDGD	
O=C(NNC(=O)c1cc2cc(F)ccc2s1)C(=O)NC1CC1	10214022	VPVBSVYQIOLKQN-UHFFFAOYSA-N	321.333	1.080	50	20	DDGD	
CC(=O)Nc1ccc(CCNC(=O)NNC(=O)C(C)(C)C)cc1	103619461	MKNGAAICSQZDMV-UHFFFAOYSA-N	320.393	1.564	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccccc1C(F)(F)F	109996642	OQVCXWQKZVPWRL-UHFFFAOYSA-N	312.251	1.812	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1csc(-c2ccco2)n1	109858806	DEUFYZKXHYGUIX-UHFFFAOYSA-N	317.330	1.509	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCc1ccc(OC)c(OC)c1	178947145	GMZNQPHHICZWER-ACCUITESSA-N	304.346	1.806	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Cn1c(=O)oc2ccccc21	103198967	OZGHQISZBCIUSM-UHFFFAOYSA-N	305.334	1.178	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C2(C#N)CCCC2)c1	52737034	XLQOVXPGJGAAGM-UHFFFAOYSA-N	315.373	1.914	50	20	DDGD	
CC(=O)N1CCC(CNC(=O)NNc2cccc(C#N)c2)CC1	105313550	COIPPMTZPAUQGF-UHFFFAOYSA-N	315.377	1.443	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(C#N)cc2)cc1[N+](=O)[O-]	61474455	QSAMUKMBKSOHTN-UHFFFAOYSA-N	324.296	1.850	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)CNc2ccc(C)cc2)[nH]n1	174945352	PLNXLSIXHHSYGW-UHFFFAOYSA-N	315.377	1.544	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CC(=O)NNc1ncccc1Cl	172269153	DBILZTDZZJTIOW-UHFFFAOYSA-N	310.701	1.291	50	20	DDGD	
Cc1cc(NNC(=O)c2oc3c(c2C)C(=O)CCC3)ncn1	172283552	ABYUUUWQXSLBOC-UHFFFAOYSA-N	300.318	1.962	50	20	DDGD	
COc1ccc2c(c1)OC[C@H](C(=O)NNC(=O)C(C)(C)C)C2	119527797	QWFQAUYPBTYAFK-LLVKDONJSA-N	306.362	1.440	50	20	DDGD	
Cc1ccc(OCCCC(=O)NNC(=O)c2c[nH]nc2C)cc1	110759548	STPZVYLNWJOBAD-UHFFFAOYSA-N	316.361	1.647	50	20	DDGD	
CCN(CC)CC[C@H](C)NC(=O)NNc1ncc(Cl)cn1	1348612719	XIKFVEBGEALEHG-JTQLQIEISA-N	314.821	1.877	50	20	DDGD	
COC(=O)c1ccc(/C=C/C(=O)NNC(=O)NC(C)C)cc1	63270528	YIMTZKOFZIWZCN-RMKNXTFCSA-N	305.334	1.225	50	20	DDGD	
CCc1nnsc1C(=O)NNC(=O)COc1cccc(C)c1	27319992	JDIVJWIMUFHNHV-UHFFFAOYSA-N	320.374	1.249	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(-n3cccn3)cc2)n1	174477333	QTGIJVLLCLRBEO-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cccnc2)c(=O)oc2ccccc12	176769579	NWMUGSRYUHFOTF-UHFFFAOYSA-N	323.308	1.571	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)NC[C@H]1CCCO1	122695262	APYMSEHWVGPGPO-CYBMUJFWSA-N	316.361	1.151	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2COCCO2)ccc1Br	172270828	FUKZFFUKXXFKCE-NSHDSACASA-N	315.167	1.616	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNC(=O)COCc1ccccc1	189870748	LLIGBWYQKJEJTO-UHFFFAOYSA-N	301.346	1.311	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)N[C@@H]2CCSC2)c1	75803511	CJXFKGVVXXLCQP-LLVKDONJSA-N	308.407	1.202	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(OC(F)F)cc2)nn1	122930462	FEZKOFHRPWHRQG-UHFFFAOYSA-N	310.260	1.844	50	20	DDGD	
COc1ccc2nc(NNC(=O)CNC(C)=O)c(C)cc2c1	183173982	AGZFIFYHYHILOQ-UHFFFAOYSA-N	302.334	1.131	50	20	DDGD	
CC(C)CCn1cc(C(=O)NNc2nccnc2Cl)nn1	129576471	GMSSELAYXTZZML-UHFFFAOYSA-N	309.761	1.525	50	20	DDGD	
COC[C@H](C)n1ccc(NC(=O)NNC(=O)CC(C)(C)C)n1	189787295	IJQNQIOSTCFOAI-JTQLQIEISA-N	311.386	1.679	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1ccc2ccccc2c1O	186139346	UMRDVCAXHQKIGH-UHFFFAOYSA-N	310.313	1.272	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccc(-n2cncn2)c(C)c1	78692180	UHXVVTNZCPRQRK-ZSOIEALJSA-N	312.329	1.672	50	20	DDGD	
O=C(NNc1cccc(Cl)c1)C(=O)Nc1ccc(F)nc1	120232635	QRVLYMSHNZOIDR-UHFFFAOYSA-N	308.700	1.956	50	20	DDGD	
Cc1ccoc1C(=O)NNC(=O)CSc1ccccc1O	125564640	IGVCBOKDTBLSAJ-UHFFFAOYSA-N	306.343	1.847	50	20	DDGD	
CS[C@H](C)CC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	121112512	VVEXJMCOAQCXAR-LLVKDONJSA-N	318.402	1.775	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1cnn(CC(F)F)c1	186044676	QEBFOIPNRMARRO-UHFFFAOYSA-N	303.313	1.737	50	20	DDGD	
CCOCCC(=O)NNc1cc(CC)nc(-c2ccccn2)n1	131289008	LHWLQKOQRZEKBF-UHFFFAOYSA-N	315.377	1.971	50	20	DDGD	
O=C(CCCCc1c[nH]nn1)NNC(=O)c1ccc(Cl)nc1	139173549	ZJAVISNHWLJJEP-UHFFFAOYSA-N	322.756	1.027	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)c2ccccn2)s1	42997452	TXODEIPGSWAOLA-UHFFFAOYSA-N	304.375	1.874	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1c(Cl)cccc1Cl	134600133	IIXSYKQSNSMNLB-VIFPVBQESA-N	303.145	1.933	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C[C@@H]2CCCOC2)c(C)c1	195276679	ITELIJJHWMKWCG-AWEZNQCLSA-N	319.405	1.679	50	20	DDGD	
COc1ccc(NNC(=O)c2nn[nH]c2-c2ccccc2)nc1	194237575	WFQJVHQKXSVGCL-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
CSCCCNC(=O)NNC(=O)c1cccc(N(C)C)c1	132598266	IHSBQJLAXNGJNZ-UHFFFAOYSA-N	310.423	1.450	50	20	DDGD	
COCCNC(=O)NNC(=O)COc1cc(C)ccc1C(C)C	42843106	QWZRXHRXZQRHIZ-UHFFFAOYSA-N	323.393	1.474	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1cccnc1)c1c(F)cccc1F	134612222	HHIDQBPTAWQBBH-SNVBAGLBSA-N	319.311	1.853	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1cc(F)ccc1O	80025987	JQMULCLEVVSECG-UHFFFAOYSA-N	318.304	1.631	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)Cc2ccncc2)c(C)c1	83186295	GRCAJWDMBOIQEF-UHFFFAOYSA-N	312.373	1.772	50	20	DDGD	
CN(C)[C@H](C(=O)NNC(=O)NC1CCCCC1)c1ccccc1	195454080	KCEFLNWNNPGJNO-HNNXBMFYSA-N	318.421	1.952	50	20	DDGD	
O=C(NNS(=O)(=O)c1c(F)cc(F)cc1F)c1ccc[nH]1	193703841	WSYBBICFIUEXJZ-UHFFFAOYSA-N	319.264	1.055	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NN=c1sc2ccccc2n1C	255542031	PGUYZLUXUXTIAO-VIFPVBQESA-N	307.375	1.371	50	20	DDGD	
C[C@H]1CCC[C@@H]1NC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	266886986	XUCNWPCRENBDPF-KWQFWETISA-N	322.321	1.433	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccc([N+](=O)[O-])cc2)c1C1CC1	269073717	UKCFUZLIJZZIFJ-UHFFFAOYSA-N	301.306	1.963	50	20	DDGD	
O=C(C[C@@H]1CSCCS1)NNC(=O)NCc1ccco1	269738099	YOQYPBDFLNMCBD-SNVBAGLBSA-N	315.420	1.349	50	20	DDGD	
COCCOCCC(=O)NNC(=O)c1cccc2ccccc12	266013198	UCJRDOJFVUEOTI-UHFFFAOYSA-N	316.357	1.654	50	20	DDGD	
CC1CCN(c2ccc(C(=O)NNC(=O)C3CCC3)cn2)CC1	264749756	KWDKSMOIVWLBPZ-UHFFFAOYSA-N	316.405	1.879	50	20	DDGD	
C[C@]1(CCCC(=O)NNc2cccc(F)c2)NC(=O)NC1=O	269599886	XRALNRDBBZLCBM-CQSZACIVSA-N	308.313	1.037	50	20	DDGD	
CC(=O)c1ccc(OCCCC(=O)NNC(=O)NC2CC2)cc1	264146579	HFRSXGJSAKPSBQ-UHFFFAOYSA-N	319.361	1.541	50	20	DDGD	
CC(C)(C)C(=O)C(=O)NNC(=O)c1ccc(Cl)cc1F	266952888	IKZLBMRWDDPFIG-UHFFFAOYSA-N	300.717	1.855	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(C)nc2onc(C(C)C)c12	272689944	QCHPCQRUNDBVBQ-UHFFFAOYSA-N	319.365	1.961	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](CO)C[C@@H](O)c1ccccc1	271283573	ARXMJHBXYKLBTN-TZLBIFBXSA-N	304.346	1.031	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)[C@@H]2CN3CCCN2CC3)cc1	365043565	RBJMVPAOGADELM-INIZCTEOSA-N	316.449	1.817	50	20	DDGD	
COc1cccc(NNC(=O)[C@H]2CCCN2C2CCCC2)n1	272566950	VGCCLUMYWGOMCY-CYBMUJFWSA-N	304.394	1.940	50	20	DDGD	
O=S(=O)(CBr)NC[C@H](O)c1cccc(F)c1	272831248	RCMXEOUSBFWXAG-VIFPVBQESA-N	312.160	1.131	50	20	DDGD	
Cc1ccccc1[C@H](C)CC(=O)NNC(=O)N1CCN(C)CC1	278590807	KIVIBBYYQIQORC-CQSZACIVSA-N	318.421	1.477	50	20	DDGD	
C[C@H]1Oc2ccccc2[C@H]1NC(=O)NNc1nc2ccccn2n1	365704513	PTYRWYGQSADZMY-YGRLFVJLSA-N	324.344	1.878	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(O)nc(C(C)C)c2)n1	271699624	KTHNSJNJUBQYAZ-UHFFFAOYSA-N	303.322	1.466	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(F)ccc1Cl	276203410	NPQRDNLDMLWQJV-UHFFFAOYSA-N	316.720	1.110	50	20	DDGD	
COc1cc(NNC(=O)[C@@H]2CN3CCCN2CC3)ccc1Cl	364062875	JIKJZMJEFBFQFY-ZDUSSCGKSA-N	324.812	1.182	50	20	DDGD	
Cc1cccc(N2CCN(C(=O)CN3CC=C(C#N)CC3)CC2)c1	272573278	DFZVIWDGZRFGLR-UHFFFAOYSA-N	324.428	1.799	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C(C)(C)N2CCOCC2)cc1	278684918	QMOOUOKOHMSDFZ-UHFFFAOYSA-N	319.405	1.121	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccccc1OCC1CC1	281348476	VHUAVMXZCLSJSJ-UHFFFAOYSA-N	305.403	1.770	50	20	DDGD	
CSSCCNC(=O)NCc1nnc2n1CCCC2	285324786	IJTAIQOPJJFHMX-UHFFFAOYSA-N	301.441	1.425	50	20	DDGD	
CCOc1cccc(S(=O)(=O)NNC(=O)[C@@H](C)CC)c1	281720902	AFFHTSKQNOCVQZ-JTQLQIEISA-N	300.380	1.441	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)C(C)(C)S(=O)(=O)C1CC1	284543656	PBIQFDNFWPAILP-UHFFFAOYSA-N	324.402	1.112	50	20	DDGD	
CC(C)c1[nH]nc(C(=O)NNc2cccc(F)n2)c1[N+](=O)[O-]	286370131	FAGMZUMHTRMIHI-UHFFFAOYSA-N	308.273	1.732	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCOCCC(C)C)n1	280314733	QNTGDCCIQYANDU-UHFFFAOYSA-N	308.382	1.397	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1	286388238	OLQUKPSAJXVGEB-GFCCVEGCSA-N	319.361	1.386	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cccc(OC[C@@H]2CCCO2)c1	286448588	SDRQLIAIDHYNKW-ZDUSSCGKSA-N	308.334	1.587	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)[C@H](C)N1CCN(C)CC1	281877868	WYOGFZTUBRZHEY-AWEZNQCLSA-N	304.438	1.636	50	20	DDGD	
COCCn1nc(C)c(NC(=O)NNc2ncccc2F)c1C	286989108	GFFSNWTXDICCNX-UHFFFAOYSA-N	322.344	1.829	50	20	DDGD	
CC(C)[C@H](NC(=O)c1cccs1)C(=O)NNC(=O)CC1CC1	294201884	PLUIYFDTDMSLJY-ZDUSSCGKSA-N	323.418	1.450	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)CSC(F)F)c1	299263931	WLPFMQUPHONFPV-UHFFFAOYSA-N	303.334	1.469	50	20	DDGD	
CNC(=O)NNC(=O)c1nc2ccccc2cc1Br	808385324	LSQARBUTWCLBJY-UHFFFAOYSA-N	323.150	1.571	50	20	DDGD	
CS(=O)(=O)C1(CNC(=O)NNc2ccccc2)CCCC1	807536108	PFEFLCKOIRCPAM-UHFFFAOYSA-N	311.407	1.670	50	20	DDGD	
C[C@H](C(=O)NNC(=O)COc1ccccc1O)C(C)(F)F	293540200	XSOWBDZFEVSNFV-MRVPVSSYSA-N	302.277	1.210	50	20	DDGD	
NC(=O)Cc1occc1C(=O)NNc1c(F)cccc1Cl	803116636	MJLVJPJACJUNSU-UHFFFAOYSA-N	311.700	1.857	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H]1CCN(c2ccccc2Cl)C1	290598906	VCPRTHXCXQKZBO-LLVKDONJSA-N	324.812	1.905	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@@H]1CCn2ccnc2C1	803433002	IOVSYTRZESULIK-GFCCVEGCSA-N	323.356	1.430	50	20	DDGD	
COCCn1cc(NC(=O)NNC(=O)c2ccccc2C)cn1	299016836	OXJBJPLFPATADS-UHFFFAOYSA-N	317.349	1.304	50	20	DDGD	
O=C(C[C@@H]1CCCC(=O)N1)NNc1ncccc1C(F)(F)F	809690014	YGFAPHWBGJOSIH-QMMMGPOBSA-N	316.283	1.602	50	20	DDGD	
C=C(C)COCCNC(=O)NNc1ccc2c(=O)[nH]ccc2c1	806972395	UQSTZBXHVIZPTI-UHFFFAOYSA-N	316.361	1.747	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1	294039050	DUDVRQMSGPHLQB-UHFFFAOYSA-N	303.274	1.902	50	20	DDGD	
COc1cc(F)c(F)cc1NC(=O)NNC(=O)c1cccnc1	810272568	NZSLEVDQGOVWKP-UHFFFAOYSA-N	322.271	1.835	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCc2cccnc2CC1	817325230	BYUQZGPSFJIDCZ-GFCCVEGCSA-N	305.378	1.484	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1cccc(NC(=O)c2cccnc2)c1	816634106	YLTMCAJOQVJCHQ-UHFFFAOYSA-N	323.316	1.209	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)Cc1ccccc1OC	812479705	NXDYKAYLJZPITM-NEPJUHHUSA-N	308.378	1.304	50	20	DDGD	
Cc1ccc(C2(C(=O)NNC(=O)c3cc(C)[nH]n3)CCC2)cc1	819441514	ICFKTLVSEVGWQR-UHFFFAOYSA-N	312.373	1.909	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)c(C2CC2)n1	811874983	SKEBCLSIFSKHEE-UHFFFAOYSA-N	316.336	1.440	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@H](CC(C)C)C(=O)O)n1	818627251	HJKOHCCLGQXOAQ-NSHDSACASA-N	322.365	1.081	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCCCCC1)c1cnnn1C	814766452	JWNGSXCKKUABRM-GFCCVEGCSA-N	306.414	1.167	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)c1c[nH]c2ccccc12)C1CCC1	813372995	UOFFKZQNIXJXBQ-MRXNPFEDSA-N	301.346	1.480	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccccc1[N+](=O)[O-]	727275361	RHXTWXDRTVLZHE-UHFFFAOYSA-N	308.363	1.504	50	20	DDGD	
N#CCOc1ccc(CC(=O)NNc2ncncc2F)cc1	817081330	AIAZEKOCSHRFFV-UHFFFAOYSA-N	301.281	1.204	50	20	DDGD	
COCCC(Cc1cccc(F)c1)=NNC(=O)C(=O)NC1CC1	729143765	QLROERCPAABOIR-UHFFFAOYSA-N	321.352	1.156	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H]1c1ccccc1	728957213	NHMMZWNMESXEJU-OAHLLOKOSA-N	310.357	1.812	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@H](O)c1ccc(C(F)(F)F)cc1	823902286	PCKWTVDUWMUTJS-GZMMTYOYSA-N	306.284	1.083	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CCCC(=O)C1CC1	825529689	MBZZCYPVMZTZDN-UHFFFAOYSA-N	318.373	1.535	50	20	DDGD	
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NN(C)[C@H](C)CO	823983634	YHRHSBQNFSVCAZ-WBMJQRKESA-N	317.389	1.294	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C\c2cnn(CC(F)F)c2)n1	491158159	CWQMQLQEHBYMGT-WMZJFQQLSA-N	306.276	1.427	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C	492200033	CJIKLUAPKJISHC-NXEZZACHSA-N	315.370	1.409	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1cc(-c2nn[nH]n2)ccc1Cl	821313311	DAJDCCFMOLCWAR-VQHVLOKHSA-N	318.724	1.903	50	20	DDGD	
CC[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@]1(C)C[C@H]1Br	822630577	YBRZUNFCIVHIMA-UOKLYIGXSA-N	305.216	1.579	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1	495408587	SHJZFLQOBYFTQO-VXGBXAGGSA-N	321.377	1.297	50	20	DDGD	
C[C@H](OCc1ccc(F)cc1)C(=O)NNC(=O)CC(F)(F)F	825504025	LVLWKTKAYJOXPW-QMMMGPOBSA-N	322.258	1.831	50	20	DDGD	
CS[C@H](C)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	826225188	VZZSWXZDGAWYTF-RXMQYKEDSA-N	313.774	1.110	50	20	DDGD	
N#Cc1ccc(C(=O)NNS(=O)(=O)C2=CCCCC2)cc1	829798275	SUJGVPRTYJXKRA-UHFFFAOYSA-N	305.359	1.580	50	20	DDGD	
Cc1cc([C@@H](C)NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)ccc1F	826887330	CTIWLEOFZWODCD-MDZLAQPJSA-N	323.368	1.951	50	20	DDGD	
COC(=O)CCCN1CCC(=NNC(=O)CC(F)(F)F)CC1	727061122	CSKUXVSCUBFSJW-UHFFFAOYSA-N	323.315	1.460	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNc1ncc(F)cc1F)C(C)C	823479290	FFFDQHKAUFWCOD-SNVBAGLBSA-N	301.293	1.638	50	20	DDGD	
CCN(CCO)NC(=O)Cc1c(C)nn(-c2ccccc2)c1C	823838285	NLMHHCSGBTXDEF-UHFFFAOYSA-N	316.405	1.377	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)C(C)C)c(F)cc1[N+](=O)[O-]	821128097	RRJNOVWPUGUFGL-UHFFFAOYSA-N	319.314	1.008	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NNc2cccc(F)n2)C1	497117812	QIMOZTIEPYFAQZ-AOOOYVTPSA-N	324.356	1.967	50	20	DDGD	
CO[C@@H](C)CCNC(=O)NN=c1sc2ccccc2n1C	726714655	VARXLKKQJBGZDE-JTQLQIEISA-N	308.407	1.780	50	20	DDGD	
COC(=O)CCCc1nnc(NC(=O)NN(C)C2CC2)s1	824198189	CSKNVYWWSCUMGF-UHFFFAOYSA-N	313.383	1.165	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H]2C=CCC2)cc1C	821093668	ZMVDGHJOOQGZAY-ZDUSSCGKSA-N	303.362	1.731	50	20	DDGD	
CN(NC(=S)NC[C@H]1CCCCO1)C(=O)OC(C)(C)C	494063722	BTCZWTIZIGCDBX-SNVBAGLBSA-N	303.428	1.802	50	20	DDGD	
Cc1ccc(OCCCC(=O)N2CC[C@@H](B(O)O)C2)cc1C	585068078	YIBUUSKRNYJUAZ-CQSZACIVSA-N	305.183	1.538	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCCC[C@@H]1COC(=O)N(C)CC	490941362	KUXFQAWHPVANCS-YPDDLIOESA-N	323.393	1.900	50	20	DDGD	
CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1ccc(Cl)s1	728437298	PRXITKPNTIEBMK-ZETCQYMHSA-N	323.827	1.179	50	20	DDGD	
CC(C)c1nn(-c2ccccc2)cc1C(=O)NN(C)[C@H](C)CO	823913138	OXWJSJPVFHAMAR-CYBMUJFWSA-N	316.405	1.953	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNC(=O)NC1CCCC1	900412779	KQKIKUJYYXRUJE-TVQRCGJNSA-N	305.382	1.349	50	20	DDGD	
C[C@@H](NCc1ccc(B(O)O)cc1F)[C@H]1COc2ccccc21	585029021	AYFGIADDQDLHFW-IAQYHMDHSA-N	315.153	1.160	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@@H]1CCCCC1(F)F	826884081	BAYZNINUEGLVAB-DCAQKATOSA-N	319.352	1.567	50	20	DDGD	
COc1ccccc1C/C(C)=C/C(=O)N1CC[C@H](B(O)O)C1	585065932	KBYIBKMEVXXVGM-WONIAPNHSA-N	303.167	1.259	50	20	DDGD	
CN1C(=O)CC[C@@H]1CC(=O)NNC(=O)C(C)(C)c1ccccc1	826921662	SLCSNORCSQRAOI-CYBMUJFWSA-N	317.389	1.123	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C(C)(C)SC)c(OC)c1	826650476	KSYCOXDRDSQBTI-UHFFFAOYSA-N	312.391	1.606	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2C[C@]3(CCCO3)[C@H]2C2CC2)cn1	491009433	KDUZBSKNEMCIDT-YOMXJOFGSA-N	312.373	1.497	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](C)C(=O)NCCc1ccccc1	491046060	GKORAZPGAJIVAZ-FRRXJZEGSA-N	315.373	1.294	50	20	DDGD	
O=C(N[C@@H]1CCC[C@H](C2CC2)C1)c1ccc(B(O)O)c(F)c1	584952003	QQTYNBITKHSMIV-WCQYABFASA-N	305.158	1.204	50	20	DDGD	
C=CCN1CCC(NC(=O)[C@]2(C)C[C@@H]2Br)CC1	906592059	KDXUSQRVMDWZJO-WCQYABFASA-N	301.228	1.927	50	20	DDGD	
OC[C@@H](CNCc1ccccc1B(O)O)CC1CCCCC1	585037821	KYOUEBJQMJQRPF-OAHLLOKOSA-N	305.227	1.035	50	20	DDGD	
O=C(c1csc(-c2ccccc2)n1)N1CC[C@@H](B(O)O)C1	585069240	KBFCEKFOBGUTKU-LLVKDONJSA-N	302.164	1.499	50	20	DDGD	
Cn1c(=NNC(=O)NCC(C)(C)C(=O)O)sc2ccccc21	833037731	QDAHXIUVDFNDDI-UHFFFAOYSA-N	322.390	1.466	50	20	DDGD	
COC(=O)NNC(=O)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1	495447703	IMPSPRSGVDWTSR-JTQLQIEISA-N	315.370	1.411	50	20	DDGD	
COCCOc1ccc(NC(=O)NN)cc1Br	904550147	BSAAQGPVQFJWIO-UHFFFAOYSA-N	304.144	1.470	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)c1	905104908	YYEHZRGHIZEWOZ-KGYLQXTDSA-N	303.387	1.538	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)[C@H]1CCC[C@H](C(=O)O)C1	833010845	XKTURWDUKNVBNS-IUCAKERBSA-N	311.363	1.104	50	20	DDGD	
C[C@H](NC(C)(C)CNCc1ccc(B(O)O)o1)c1ccccc1	585024634	YZJJSCOWEVCMPC-ZDUSSCGKSA-N	316.210	1.178	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1CNC(=O)NNC(=O)c1cccc(N(C)C)c1	836622829	XPZHXDWKFMFDCA-ZFWWWQNUSA-N	318.421	1.989	50	20	DDGD	
C[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1ccc(B(O)O)cc1	584967932	DRUKDIMKZVZWCP-PXAZEXFGSA-N	309.174	1.420	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1c(C(C)C)nn(C)c1Cl	735410381	BVXYMZXUFGUJDQ-UHFFFAOYSA-N	308.773	1.992	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)C2=COCC2)o1	734126487	YDTQRTWFLXEBJH-UHFFFAOYSA-N	307.350	1.187	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)COCC1CCCC1	836789154	HYDHPRZAZZHUNX-UHFFFAOYSA-N	320.389	1.592	50	20	DDGD	
O=C(C1CCC1)N(CCCNS(=O)(=O)CCl)C1CC1	830440964	ZCWBZLARTYUINJ-UHFFFAOYSA-N	308.831	1.283	50	20	DDGD	
COc1cccc(-c2cc(C(=O)N3CC[C@@H](B(O)O)C3)on2)c1	585067143	QAVDRCHQLCDFBG-LLVKDONJSA-N	316.122	1.039	50	20	DDGD	
CC1=NO[C@@](C)(C(=O)NNC(=O)c2cc3ccccc3o2)C1	903750250	VWXDPLLNXSNZFI-OAHLLOKOSA-N	301.302	1.749	50	20	DDGD	
CCCN(C)CC(=O)NNC(=O)c1cccc(OC(F)F)c1	730284878	STPJWADHQZYRMY-UHFFFAOYSA-N	315.320	1.391	50	20	DDGD	
O=S(=O)(CCl)NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1	831269363	GOSCRRRAZUHIQB-NEPJUHHUSA-N	307.774	1.407	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccnn1C(C)(C)C	831688307	OSMNLMXIOGVXQE-NXEZZACHSA-N	309.370	1.216	50	20	DDGD	
O=C(CC[C@@H]1CCOC1)NNc1cc(O)nc2ncccc12	913992025	MAZXSEXBPQJVDR-SNVBAGLBSA-N	302.334	1.595	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)OCc2noc3c2CCCC3)cn1	837973013	ZIUMCQUZTUIQBV-WUXMJOGZSA-N	312.329	1.937	50	20	DDGD	
CC(C)(CC(=O)O)CC(=O)NNC(=O)COCc1ccccc1	833454203	FXFSBEDTIYMBSM-UHFFFAOYSA-N	322.361	1.242	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2cn3cc(Cl)ccc3n2)cn1	735411184	PMQGOHMJZCVMRT-UHFFFAOYSA-N	302.725	1.485	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)N[C@@H]1C[C@H]1c1cccc(F)c1	836429675	QSEWESJLSJUKCD-BFHYXJOUSA-N	321.352	1.581	50	20	DDGD	
CN(C)c1cc(C(=O)NN=C2C(=O)Nc3ccccc32)ccn1	731561073	MNLWOMWDONEFIT-UHFFFAOYSA-N	309.329	1.234	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C[C@@H]1CCOC1	739482624	ACJWMSPCHOMUKK-QWRGUYRKSA-N	310.325	1.167	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CN1CCCC1=O)c1ccc(Cl)cc1	913733456	JURQQPPYGNVKGC-SNVBAGLBSA-N	323.780	1.213	50	20	DDGD	
O=C(NNC(=O)c1ccnc(C(=O)O)c1)NC1CCCCC1	833149184	HKFNLLJFWVUQLG-UHFFFAOYSA-N	306.322	1.057	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C(C)(C)O)c1OC(C)C	832754648	ODVRWYBVIVRUOT-UHFFFAOYSA-N	310.350	1.014	50	20	DDGD	
C[C@@H](OC[C@H]1CCCCO1)C(=O)NNc1ccccc1C(=O)O	833536680	UETVCGADRWEGGD-VXGBXAGGSA-N	322.361	1.802	50	20	DDGD	
CN(C)N(C(=O)[C@@H]1CC12CCCC2)[C@@H]1CCS(=O)(=O)C1	747297654	KSNNDHFMLFIAHL-NEPJUHHUSA-N	300.424	1.059	50	20	DDGD	
COc1cccc(F)c1C(=O)NNC(=O)Cc1ccccc1F	746239148	FIHNNTTYBSQRSN-UHFFFAOYSA-N	320.295	1.977	50	20	DDGD	
CCC(=NNC(=O)C1CCN(c2ncccn2)CC1)C1CC1	741164181	ASUWOXOKUMVNNE-UHFFFAOYSA-N	301.394	1.985	50	20	DDGD	
Cc1nn(Cc2ccccc2)c(C)c1C(=O)NN(C)C[C@@H](C)O	910177141	IJCNBHGVWXZDQN-GFCCVEGCSA-N	316.405	1.506	50	20	DDGD	
CC(C)COc1ccccc1C(=O)NNC(=O)c1ncccn1	841354020	JJTXFOBISSBFSM-UHFFFAOYSA-N	314.345	1.586	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCCc1c(F)cccc1F	847285575	ONPCCOMRVSAHKO-UHFFFAOYSA-N	313.373	1.969	50	20	DDGD	
O=C(Cc1ccc(NC(=O)C2CC2)cc1)NNc1cccnn1	743462404	XCGGTKCEEFXBPZ-UHFFFAOYSA-N	311.345	1.511	50	20	DDGD	
Cc1nn(CCC#N)c(C)c1CCC(=O)NNc1ncccn1	913043919	KNAVXOARZOLRMY-UHFFFAOYSA-N	313.365	1.280	50	20	DDGD	
C[C@@H](Cn1ccnc1)NC(=O)NNC(=O)c1cccc(Cl)c1	916623174	HUVDIOGSVIBWGY-JTQLQIEISA-N	321.768	1.569	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C1CCCn2ccnc21	848400135	DMYLTPGHXFDLPC-UHFFFAOYSA-N	313.361	1.618	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cnn(-c2ccc(F)cc2)c1	842556483	NTYQUBLODYDTJQ-NHYWBVRUSA-N	316.336	1.887	50	20	DDGD	
NNC(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1	841820321	PZPDQKZYVDJXQS-MRVPVSSYSA-N	304.272	1.337	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@H]2CCO[C@H]2C)c(OC)c1OC	842554845	MMRPVHFFLVXKSY-JQWIXIFHSA-N	322.361	1.588	50	20	DDGD	
NC[C@@H]1CC[C@H](NC(=O)NNc2cc(F)c(F)cc2F)C1	842012440	ZGBLJYUZFNDSCF-SFYZADRCSA-N	302.300	1.857	50	20	DDGD	
CCCCNC(=S)NNC(=O)[C@H](C)CN1CCCCCC1	747726669	XVMRSSLSIKQMGD-CYBMUJFWSA-N	314.499	1.794	50	20	DDGD	
CO[C@H]1CCC[C@H](C(=O)NNc2cc(O)nc3ncccc23)C1	913989786	QCRGAYBDKNYFAL-QWRGUYRKSA-N	316.361	1.984	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cccn2C)c(O)nc2ccccc12	749335544	OLDIGENOHFNZQU-UHFFFAOYSA-N	324.340	1.662	50	20	DDGD	
CC(=NNC(=O)Cc1ccncc1)c1ccc2c(c1)OCCO2	747641114	VAOOWACHIMJEOD-UHFFFAOYSA-N	311.341	1.936	50	20	DDGD	
Cc1n[nH]c(C)c1C=NNC(=O)c1nnc(O)c2ccccc12	915947179	IFKKZZZFRRKSRK-UHFFFAOYSA-N	310.317	1.439	50	20	DDGD	
Cc1cc(NC(=O)NN=c2cc[nH]cc2)nn1CC(F)(F)F	841805933	YCENHHAIZZMPBP-UHFFFAOYSA-N	314.271	1.719	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)N[C@@H](C)CCN)cc1	841968404	WWIHZDNLMFTNDN-NSHDSACASA-N	310.423	1.155	50	20	DDGD	
C[C@H]1CN(C[C@@H](C)C(=O)NN=Cc2ccn(C)c2)C[C@@H](C)O1	749857576	BVGFIWFPVIVORL-MCIONIFRSA-N	306.410	1.221	50	20	DDGD	
O=C(CCCn1cccn1)NNC(=O)c1ccc2ccccc2n1	748830869	IBUXLSPBROMWCU-UHFFFAOYSA-N	323.356	1.673	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H](C)C2(OC)CCC2)n1	840451944	BFYFVWYPMGTBMG-SNVBAGLBSA-N	309.370	1.377	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1c(F)cccc1OC(F)F	752021912	YJCZDAJRORLVMN-UHFFFAOYSA-N	319.283	1.914	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C(C)Cn2cncn2)c1	853270833	OHNBAHBOBWOGJR-UHFFFAOYSA-N	303.322	1.101	50	20	DDGD	
O=C(NN=Cc1ccc(F)c2cccnc12)N1CCOCC1	759197249	RRPFLXHSSNTYCX-UHFFFAOYSA-N	302.309	1.750	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CO)cc1OC1CCCC1	755729161	GALXOHOCVPMUJY-UHFFFAOYSA-N	323.349	1.162	50	20	DDGD	
COC(=O)N1CCC(NC[C@@]2(C)C[C@@H]2Br)CC1	856807248	MPLVYEFROYSNOW-CMPLNLGQSA-N	305.216	1.980	50	20	DDGD	
COC1CC(C(=O)NNC(=O)Cn2ccc3ccccc32)C1	859229577	MJTAJZHWWGCIBL-UHFFFAOYSA-N	301.346	1.214	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNc2ccccc2S(C)(=O)=O)O1	757382431	OKPGUFXZQDSZJX-JQWIXIFHSA-N	312.391	1.491	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)COc2ccccc2O)nc1	759737574	FENQEWGBGGHHAG-UHFFFAOYSA-N	317.301	1.096	50	20	DDGD	
CNc1nc(C)cc(C(=O)NC[C@]2(C)C[C@H]2Br)n1	857391697	SMRSGBXQAGOUBQ-SKDRFNHKSA-N	313.199	1.730	50	20	DDGD	
Cc1ncc2n1C[C@H](C(=O)NNC(=S)N[C@H](C)C1CC1)CC2	855097456	QOWMOVMJOSLWKP-BXKDBHETSA-N	321.450	1.048	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCc2c(O)cccc2C1	859946867	QFHBNBLDUBQWSY-GFCCVEGCSA-N	319.405	1.332	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(OCC)c(OC)c1	755473917	WKZJUFBKPAVVJB-UHFFFAOYSA-N	311.338	1.283	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cnc([C@@H]2CCCO2)s1	854923465	WRJPSTRGUJTRFW-ZETCQYMHSA-N	300.409	1.076	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)NC(=O)C2CCCCC2)o1	752525297	YCAUUJNGKZATSZ-NSHDSACASA-N	321.377	1.434	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cccnc1N(C)C)C1CC1	855103647	XNLAOGTZFRISIU-VIFPVBQESA-N	307.423	1.055	50	20	DDGD	
C[C@]1(CNC(=O)c2ccc(C(N)=O)[nH]2)C[C@@H]1Br	857388707	VECDURMZDORZAQ-GZMMTYOYSA-N	300.156	1.017	50	20	DDGD	
O=C(NC[C@@H]1CCC(F)(F)C1)NNC(=O)c1cccc(F)n1	852301650	VOSYIQYDKQBHKW-MRVPVSSYSA-N	316.283	1.600	50	20	DDGD	
COC(=O)[C@H]1C[C@H](NC(=O)NC[C@]2(C)C[C@H]2Br)C1	856923960	YLDJKHDXTVTLAP-HNBLOZHYSA-N	319.199	1.411	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(Cl)cn1)[C@@H]1CN(C)CCO1	852220046	VJHBPOPHAYQESY-ONGXEEELSA-N	313.789	1.080	50	20	DDGD	
COC(C)(C)CC=NNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C	853373510	YJWVUGFIEQAVDC-CHWSQXEVSA-N	322.409	1.805	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)CNc2ccc(C)cc2)co1	753985769	PGFIIGGKWCIOTF-UHFFFAOYSA-N	302.334	1.419	50	20	DDGD	
CC1=C(C(=O)NNC(=O)OCC(F)(F)F)SCCO1	856020274	AMQMJXJKNNXIPH-UHFFFAOYSA-N	300.258	1.301	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=S)N[C@H](C)C2CC2)CCC1	855098554	JDFKMMYQAQMHGO-SECBINFHSA-N	313.423	1.014	50	20	DDGD	
C[C@@H](CO[C@H]1CCOC1)NC(=O)NNc1ccc(Cl)cn1	852195760	KGHRIUHRELNBOR-ONGXEEELSA-N	314.773	1.555	50	20	DDGD	
Cc1c(S(=O)(=O)NC[C@@]2(C)C[C@H]2Br)cnn1C	856753858	YYRCRQBLJJHLHT-NXEZZACHSA-N	322.228	1.180	50	20	DDGD	
C[C@@H](OCc1ccc(F)cc1)C(=O)NNc1ncncc1F	857511292	INEXOZFYZZBNHB-SECBINFHSA-N	308.288	1.803	50	20	DDGD	
CCN1CCCN(C(=O)NC[C@@]2(C)C[C@H]2Br)CC1	856953814	NCZMXFJTTNMTJD-DGCLKSJQSA-N	318.259	1.897	50	20	DDGD	
CO[C@@H](Cc1ccccc1)C(=O)NNC(=S)N[C@@H](C)C1CC1	855095554	PJMILUTYZIKNPK-FZMZJTMJSA-N	321.446	1.538	50	20	DDGD	
CCC1(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)OC)c2)COC1	755310543	LAVHQYBKQDJRMZ-UHFFFAOYSA-N	309.274	1.713	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Nc1ccc(C)nc1	757734151	SSVANCBFTYDQEZ-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)Cc1nnn(C(C)(C)C)n1	854336693	PGKHSXROBLHACT-UHFFFAOYSA-N	316.409	1.985	50	20	DDGD	
COc1cccc2c1OCC(C(=O)NNC(=O)c1ccccc1)=C2	750719109	MOSQDRVQJVKOEK-UHFFFAOYSA-N	324.336	1.932	50	20	DDGD	
CC(=NNC(=O)C1CCN(c2ncccn2)CC1)c1ccoc1	755894100	VNFGZMDDARBSFN-UHFFFAOYSA-N	313.361	1.826	50	20	DDGD	
O=C(CN1CCc2ccccc21)NNc1ncc(F)cc1F	857533132	JRBDXNNOFJRUGM-UHFFFAOYSA-N	304.300	1.866	50	20	DDGD	
C=CC[C@H]1CCCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1	852408840	BPABXRQRBNPWNE-ZDUSSCGKSA-N	319.380	1.875	50	20	DDGD	
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccc2c(c1)OCO2	854180040	HHUYLKBAKMVGSC-ZYHUDNBSSA-N	320.345	1.380	50	20	DDGD	
CCCCC[C@@H](C)NC(=O)NNC(=O)C(=O)Nc1ccccn1	758667525	WBRWXDVOOQUEGD-LLVKDONJSA-N	321.381	1.319	50	20	DDGD	
CC1(CCC(=O)NNC(=O)CNC(=O)c2cccs2)CC1	931469390	BPKYOOZFTJCUHX-UHFFFAOYSA-N	309.391	1.206	50	20	DDGD	
Cc1ccc([C@H](C)C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1	863082551	NEPGLZZZENLCFS-OCCSQVGLSA-N	323.418	1.571	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNC(=S)N[C@H](C)C2CC2)n1	869218366	LWRQIJOVORJHTE-GXSJLCMTSA-N	309.439	1.121	50	20	DDGD	
O=C(NNS(=O)(=O)CCc1c(F)cccc1F)C1CCC1	863403529	JJSWGVOSGURYKB-UHFFFAOYSA-N	318.345	1.258	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1CCC(=NNC(=O)c2ccnnc2)C1	863119849	OOZPUXZLLWPBNK-LLVKDONJSA-N	319.365	1.640	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C[C@@H](C)c2ccco2)c1O	863861478	YNWHPUYROPVIHO-SNVBAGLBSA-N	318.329	1.949	50	20	DDGD	
Cc1nn(CC(F)(F)F)cc1C(=O)NN[C@H](C)C(F)(F)F	862314684	HCVNGTMVHWEHMW-ZCFIWIBFSA-N	318.221	1.939	50	20	DDGD	
COc1nccnc1NNC(=O)CSCc1cccnc1	764469585	FRPDQUDQOGUVEN-UHFFFAOYSA-N	305.363	1.257	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H]2C[C@@H]2c2sccc2C)n[nH]1	869014816	KYJKAFBIVURNFI-RYUDHWBXSA-N	318.402	1.582	50	20	DDGD	
CCC(C#N)(CC)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	860197981	LONGKRPUWBILLJ-NSHDSACASA-N	311.382	1.442	50	20	DDGD	
O=C(CSc1ccc(O)cc1)NNC(=O)c1ccncc1	769534350	HJJLRKLGCVDHEE-UHFFFAOYSA-N	303.343	1.341	50	20	DDGD	
CC(Cc1nc2ccccc2s1)=NNC(=O)[C@H]1CCC(=O)N1	863149009	OWNYHSAVJPNHMU-LLVKDONJSA-N	316.386	1.610	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)NOCC(F)(F)F	765818160	QAVKVPUVUQLEDL-UHFFFAOYSA-N	317.223	1.871	50	20	DDGD	
O=S(=O)(c1ccc(CCCl)cc1)N1Cc2cncnc2C1	867336762	PLSWPVAWQYQYSD-UHFFFAOYSA-N	323.805	1.962	50	20	DDGD	
O=C(COCc1ccncc1)NNC(=O)c1ccc(Cl)nc1	1117667403	ZBMAKNNPXSERKL-UHFFFAOYSA-N	320.736	1.108	50	20	DDGD	
CC[C@@]1(C(=O)NNc2nc(C(F)(F)F)cs2)CCNC1=O	879126294	CPHSZWYHRCVJLQ-SNVBAGLBSA-N	322.312	1.521	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc2c(cc1OC)CCC(=O)N2	879216142	RNPRGIIVTGUSDL-UHFFFAOYSA-N	322.365	1.195	50	20	DDGD	
CCC[C@H](CC)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	873751536	STNUOMKATMKSPH-FZMZJTMJSA-N	306.362	1.800	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1ccc(O)c(Cl)c1	872401158	JAMHKKCGHNYZDJ-UHFFFAOYSA-N	300.742	1.549	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)c1nc2ccccc2s1)C1CCC1	874914209	OIZAKBNDVJCKNP-HNNXBMFYSA-N	319.386	1.608	50	20	DDGD	
COc1ccc2nc(NNC(=O)C3(C(N)=O)CC3)c(C)cc2c1	778481724	COOKYBMYFJENKX-UHFFFAOYSA-N	314.345	1.260	50	20	DDGD	
Cn1cc(C#N)c(NC(=O)NC[C@]2(C)C[C@@H]2Br)n1	878875362	DXHGOUVQYBAAIW-KWQFWETISA-N	312.171	1.587	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCc2nccs2)cc1	1115886127	GHYCYWUPMBKJIJ-UHFFFAOYSA-N	305.359	1.546	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)NC1CC(C(=O)O)C1	874421153	FDOWVICQGRFEQM-UHFFFAOYSA-N	315.276	1.777	50	20	DDGD	
CC[C@H](C(=O)NNC(=S)Nc1ccccc1OC)N(C)C	873770073	YMKINIUNCONZLB-LLVKDONJSA-N	310.423	1.353	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H](C)c2c(C)n[nH]c2C)cc1	1116561467	YHLKUCNULBWWBQ-VIFPVBQESA-N	316.361	1.600	50	20	DDGD	
Cc1ccccc1OCCC(=O)NNC(=O)[C@H]1CCO[C@H]1C	1118208820	YBTYOMCURILOGC-STQMWFEESA-N	306.362	1.336	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@@H]1CCn2ccnc2C1	779665304	IOVJKGXASNCWMU-LLVKDONJSA-N	303.341	1.972	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H](C)n2cccc2)c1	1116414276	OZZJKXJZSIWAKX-LLVKDONJSA-N	317.345	1.528	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@H](C)N(C)C	873853550	YXTONEUIWASDSG-NSHDSACASA-N	308.451	1.825	50	20	DDGD	
C=CCC[C@H](NC(=O)NNC(=O)C(=O)OC)c1ccccc1	1116326368	SIFIXNLZHAOLLB-LBPRGKRZSA-N	305.334	1.197	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)COC[C@H]1CCCO1	777772691	IWSSPVNHJBCJMR-LLVKDONJSA-N	308.334	1.112	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2ccccc2Br)C1=O	773455959	NHRIYHVRETUEJU-MRVPVSSYSA-N	312.167	1.371	50	20	DDGD	
COc1ncncc1NC(=O)NNc1nccnc1C(C)C	770588653	MKMMYAGWPPVNER-UHFFFAOYSA-N	303.326	1.547	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNc2ncccn2)ccc1F	775532035	KAJGMJSAZIMZSZ-UHFFFAOYSA-N	305.269	1.551	50	20	DDGD	
COc1ccccc1/C(C)=C\C(=O)NNC(=O)C1CCOCC1	883062883	VIJBQASSCMRQOI-QXMHVHEDSA-N	318.373	1.673	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C)c(Cl)c1	772092212	UAJQIMRKVDBBFT-SECBINFHSA-N	312.753	1.751	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)n1cc(-c2ccccc2)nn1	881291400	PFEUEFMBTLNKSM-GFCCVEGCSA-N	315.377	1.700	50	20	DDGD	
N#CCc1ccccc1CC(=O)NNC(=O)c1cccc(C#N)c1	776891332	RBWBXHZSEGUYOZ-UHFFFAOYSA-N	318.336	1.628	50	20	DDGD	
Cc1nn(C)c(NC(=O)NNC(=O)[C@H]2CCCCO2)c1Cl	888635809	WZTHSSKIKGSZJB-MRVPVSSYSA-N	315.761	1.104	50	20	DDGD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NNc1cc(F)ccc1F	885144620	HCLUVTBUQOSMSF-ONGXEEELSA-N	300.305	1.992	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H]1CCCN1CC(C)C	1120514553	QNAFWBFDWWZUHO-HNNXBMFYSA-N	303.406	1.876	50	20	DDGD	
COCCCNC(=O)NN=C1CCOc2c(F)ccc(F)c21	783832407	FXKHZRNTWGYMLS-UHFFFAOYSA-N	313.304	1.787	50	20	DDGD	
Cc1nn(C)c(NC(=O)NNC(=O)c2cccn2C)c1Cl	888644811	URHDGCBEOJAXNS-UHFFFAOYSA-N	310.745	1.187	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@H]1CC(=O)N(C2CCCCC2)C1	780757589	TVELZLLKZWTRBB-LBPRGKRZSA-N	302.378	1.128	50	20	DDGD	
CC(C)C[C@H](N)CC(=O)NNc1ncc(Br)cn1	1354213746	PISFWLHVOVSDDL-VIFPVBQESA-N	316.203	1.446	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)Cc1ccccc1CC	785831054	GAFOPIBOOGHBQV-NSHDSACASA-N	306.362	1.281	50	20	DDGD	
CCOc1cccc(/C=C\C(=O)NNC(=O)C2CCOCC2)c1	894100635	DELNSPKXCNBHOS-SREVYHEPSA-N	318.373	1.673	50	20	DDGD	
CC1(C)[C@H](O)C[C@H]1NS(=O)(=O)c1ccc(CCl)cc1	388679256	ROIPPVDEWCBIRH-VXGBXAGGSA-N	303.811	1.863	50	20	DDGD	
CCOc1ccc(C(=O)NN=Cc2cnc(N)nc2)cc1OC	781585530	GZOBUUIOGGWWGL-UHFFFAOYSA-N	315.333	1.230	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2)on1	781429711	PFBVNGIQUGEKAB-UHFFFAOYSA-N	306.234	1.126	50	20	DDGD	
COc1cc(NNC(=O)N[C@@H]2C[C@H](C)OC2=O)ccc1Cl	896359225	LPVMRXYKISBRPC-OIBJUYFYSA-N	313.741	1.679	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@@H]2CCOC3(CCC3)C2)n1	896507774	BFOYMJCUMALFTO-LLVKDONJSA-N	305.382	1.335	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1ccc(F)cn1	784610675	ZNESLMZBLXHWPW-UHFFFAOYSA-N	319.292	1.069	50	20	DDGD	
CCC[C@@H](CCCS(C)(=O)=O)C(=O)NNC(=O)C(C)(C)C	789897678	OKMWHEBGUVWZSG-NSHDSACASA-N	320.455	1.421	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@@H]1CCCN1c1ccccc1	787200197	COCHDVRLUMXICA-AWEZNQCLSA-N	302.378	1.396	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1cccc(Br)n1	794957374	BPGZIKFINFUTPV-TWGQIWQCSA-N	316.180	1.600	50	20	DDGD	
CCCCOCCCNC(=O)NNC(=O)c1cccc(C)n1	792782118	ZFLLUGVRKAISQO-UHFFFAOYSA-N	308.382	1.541	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cc2ccccc2c(=O)o1	797759888	PTRYJIFFYASQBS-UHFFFAOYSA-N	321.296	1.593	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNc1cnnc2ccccc12	894893069	LPFFDGZANILYHQ-GHMZBOCLSA-N	300.318	1.272	50	20	DDGD	
CCS[C@@H]1CCC[C@H]1N[C@H](C)C(=O)NNC(=O)CC(C)C	794605842	SOIQJRQRQBDQRH-JHJVBQTASA-N	315.483	1.832	50	20	DDGD	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1F)S(=O)(=O)NC1CC1	794946459	VFQVMQMCRDPGGG-VZUCSPMQSA-N	311.294	1.680	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2ccc(O[C@H](C)C(=O)O)cc2)n[nH]1	794920459	LSSCRINTDDZIRA-SNVBAGLBSA-N	316.317	1.334	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@H](OC)C2CC2)cc1OC	792027976	AZUHPRJBOZGZCF-CQSZACIVSA-N	322.361	1.280	50	20	DDGD	
Cc1ccccc1-n1nccc1/C=C(/C#N)S(=O)(=O)N(C)C	794959159	ZMBAHPXKEYKLLZ-UVTDQMKNSA-N	316.386	1.937	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)c1cccc(O)c1O	790876692	JNCJAUZAIZWUHV-UHFFFAOYSA-N	312.285	1.504	50	20	DDGD	
CC(=NNC(=O)c1cccnc1)c1ccc(C(=O)N(C)C)cc1	792872665	PNHWPMRLUYWLDD-UHFFFAOYSA-N	310.357	1.937	50	20	DDGD	
Nc1cnnc(NNC(=O)NCCc2ccccc2F)c1Cl	1319754022	IUIAUJZMGLZVCQ-UHFFFAOYSA-N	324.747	1.720	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H](C)OCCC(C)C)cc1	1318098252	DSJKHMWBWFTBQF-LBPRGKRZSA-N	308.378	1.907	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1Cc2ccc([N+](=O)[O-])cc2C1	1319535858	UZDQGSKPCICTDF-UHFFFAOYSA-N	320.349	1.104	50	20	DDGD	
O=C(NCCCOCc1ccccc1)NNc1ncncc1F	1324430047	JDXPABWXQVNENC-UHFFFAOYSA-N	319.340	1.849	50	20	DDGD	
CC[C@H](C#N)C(=O)NNC(=O)c1ccc(Br)cc1	1326729432	VIFARUKTZMSYCV-MRVPVSSYSA-N	310.151	1.760	50	20	DDGD	
NC(=O)c1ccccc1C=NNC(=O)c1n[nH]c2c1CCCC2	1320991507	BWEPLOQQWQGJPS-UHFFFAOYSA-N	311.345	1.151	50	20	DDGD	
Cc1nnccc1C(=O)NNC(=O)c1cncn1-c1ccccc1	1322948339	JYDURIXRVFYDRF-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
COc1cccc(CNC(=O)NNc2nncc(N)c2Cl)c1	1323976159	AWYXIILJAUDCAM-UHFFFAOYSA-N	322.756	1.547	50	20	DDGD	
Cc1ccccc1[C@@H]1CCCN1C(=O)NNC(=O)c1cn[nH]c1	1331312409	IZHGHRFBPNMVJR-AWEZNQCLSA-N	313.361	1.910	50	20	DDGD	
CO[C@H]1CCC[C@H]1C(=O)NNC(=O)CSc1ccccc1O	1335873233	BBASYDKXROZIHE-PWSUYJOCSA-N	324.402	1.447	50	20	DDGD	
Cn1cc(C=NNC(=O)c2ccc(Br)cc2)c(O)n1	1330267695	PQJSBSMBHHOUDK-UHFFFAOYSA-N	323.150	1.652	50	20	DDGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)[C@@]1(F)CCOC1	1332255405	CIPQJYQBIMZUTH-GFCCVEGCSA-N	317.773	1.786	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)[C@H]1CCc2nnc(O)n2C1	1262642878	UXOQALLWBLHMJQ-VIFPVBQESA-N	321.768	1.651	50	20	DDGD	
Cc1cccnc1NNC(=O)c1c(Br)nnn1C	1343552177	KKZANMRGDPZRFF-UHFFFAOYSA-N	311.143	1.038	50	20	DDGD	
CC(C)=CCCNC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1351179218	USIZBVGFEOKYRK-GXFFZTMASA-N	317.227	1.749	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(C(=O)O)cn2)cc1F	1600340877	ATJOJUWIXMECEX-UHFFFAOYSA-N	317.276	1.302	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)NCC2CCC2)oc1C(=O)O	1600095022	FWUSMABYEAXAKT-UHFFFAOYSA-N	311.363	1.195	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(C(=O)O)nn1	1600788356	JSWSTLUJABAIHZ-UHFFFAOYSA-N	323.740	1.479	50	20	DDGD	
O=C(NNC(=O)[C@H](C(=O)O)C1CC1)c1ccc2ccccc2n1	1605814525	FUGGDHDCXUDBBU-CYBMUJFWSA-N	313.313	1.107	50	20	DDGD	
CN1CCN(CCO[Si](C)(C)C(C)(C)C)C[C@H](C(=O)O)C1	1606242672	OZIUBIFIVLDZMV-CYBMUJFWSA-N	316.518	1.956	50	20	DDGD	
O=C(Cc1ccc2n[nH]cc2c1)NNc1ccc(C(=O)O)cn1	1608364009	SFKZFFXPBZVEAA-UHFFFAOYSA-N	311.301	1.342	50	20	DDGD	
CCC[C@H](C=NNC(=O)c1cccc(-c2nn[nH]n2)c1)OC	1604137149	KQSQLUTYRJONMQ-GFCCVEGCSA-N	302.338	1.397	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1ccc(F)c(C(=O)O)c1	1605551515	NQUOPEBMUGHASR-UHFFFAOYSA-N	313.285	1.103	50	20	DDGD	
O=C(NCCc1ccccc1)NNc1ccc(-c2nn[nH]n2)cn1	1606797746	ZAMUDDWDTHFKDN-UHFFFAOYSA-N	324.348	1.131	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CC(F)(F)F)ccc1C(=O)O	1607690806	SYXHJJXLSNMMFG-UHFFFAOYSA-N	319.239	1.798	50	20	DDGD	
Cn1cc(/C=C/C(=O)NNc2ccc(C(=O)O)c(Cl)c2)cn1	1608110484	SCDNZBKDSDDIOG-GORDUTHDSA-N	320.736	1.928	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)Nc1ccc2c(n1)CCC2	1605820906	LDEHFAMAXGWDAR-UHFFFAOYSA-N	313.317	1.812	50	20	DDGD	
O=C(NNc1ncncc1Cl)NC1CCC(C(=O)O)CC1	1611344364	AWGRJVZIVITNMN-UHFFFAOYSA-N	313.745	1.400	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1cc(Br)ccc1F	1610782816	CARLIVXFIXORDY-UHFFFAOYSA-N	318.102	1.306	50	20	DDGD	
CCOCC(C)=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccnn1C	1549319146	IPKHKMXOQWJSCP-OCCSQVGLSA-N	308.382	1.416	50	20	DDGD	
Cc1cc(C(=O)O)ccc1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	1610441691	LARDXSZBLQUPTM-GXSJLCMTSA-N	321.333	1.271	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H](C)OC[C@@H]2CCCO2)cc1C(=O)O	1610509927	SXCATSFJYJRJDD-YPMHNXCESA-N	322.361	1.720	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H]2CC[C@H](N)CC2)c1	1574766032	LVAHZECYDGDQQH-JOCQHMNTSA-N	316.430	1.503	50	20	DDGD	
CC(C)(C(=O)O)[C@@H](NS(=O)(=O)CCl)c1ccccc1	1589601530	MPCJOSCKOYRITQ-JTQLQIEISA-N	305.783	1.954	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)OC)C1	1846404761	RVUVJVHIQMGZPL-GHMZBOCLSA-N	302.802	1.242	50	20	DDGD	
Cn1cc(Br)cc1C(=O)NN=CCCCC(=O)O	1594526150	WNUPCWLBJTXSTO-UHFFFAOYSA-N	316.155	1.758	50	20	DDGD	
CSSCCNS(=O)(=O)c1csnc1C(=O)O	1599804555	QVXSCJIXYCABJX-UHFFFAOYSA-N	314.435	1.131	50	20	DDGD	
C[Si](C)(C)OCC(=O)N1CC2(CCCN2C(=O)C2CC2)C1	1846763873	ZOQFTRZAEGEPNZ-UHFFFAOYSA-N	310.470	1.451	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(C(=O)O)s2)nc1	1598982755	AXGXCOBWGWEHNZ-UHFFFAOYSA-N	321.314	1.385	50	20	DDGD	
Cc1cccc(NNC(=O)c2ccc(-c3nn[nH]n3)s2)n1	1592235396	LQXBFCUTEVCMSK-UHFFFAOYSA-N	301.335	1.389	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccc(F)c(C(=O)O)c1)N(C)C1CC1	1592676101	LGBRCRIQTBEDFJ-VIFPVBQESA-N	324.356	1.633	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1cc(O)cs1	1599376750	RYRWDWMTRRUMCT-UHFFFAOYSA-N	308.315	1.917	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)c(C(=O)O)c1	1776090830	CQCJMGPJZORAGC-KWCYVHTRSA-N	302.330	1.711	50	20	DDGD	
NC(=O)c1csc(C=NNC(=O)c2ccc(C(=O)O)cc2)c1	1776100042	NLWKYZPXTFRPEI-UHFFFAOYSA-N	317.326	1.309	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)Cc2ccccc2)c1	5612215	TYESHRNATGRSCD-UHFFFAOYSA-N	314.341	1.708	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1cccc([N+](=O)[O-])c1	15528898	ONLYIODCXLEDIQ-UHFFFAOYSA-N	317.276	1.738	50	20	DDGD	
C=CCc1ccc(OCC(=O)NNC(=O)C2CC2)c(OC)c1	15794039	AGGYRTZLBISYSZ-UHFFFAOYSA-N	304.346	1.360	50	20	DDGD	
O=C(CSc1ccc(F)cc1)NNC(=O)c1ccccn1	17328615	OWEPPCOKFQIOBJ-UHFFFAOYSA-N	305.334	1.774	50	20	DDGD	
O=C(CCc1nc(-c2ccoc2)no1)NNC(=O)c1ccc[nH]1	158817739	QFRNDKAKMTXCSQ-UHFFFAOYSA-N	315.289	1.052	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc(C)n[nH]2)c2ccccc12	151161785	BWZIFHFPLVFZQK-UHFFFAOYSA-N	324.340	1.955	50	20	DDGD	
N#Cc1cccc(NNC(=O)CSc2nnnn2C2CC2)c1	152300384	ZVVKKKKYCMGLFD-UHFFFAOYSA-N	315.362	1.115	50	20	DDGD	
Cn1c(=O)[nH]c2cc(C(=O)NNc3cccc(C#N)c3)ccc21	152491261	HTAVPAYYMIYMDR-UHFFFAOYSA-N	307.313	1.495	50	20	DDGD	
Cn1cnnc1C1CCN(S(=O)(=O)CCCCCl)CC1	153395387	ZXVZJXCYQXVSFF-UHFFFAOYSA-N	320.846	1.343	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccccc2Br)CCN1	153557906	ZGHIHKDCKHMAGO-MRVPVSSYSA-N	312.167	1.418	50	20	DDGD	
O=C(NNC(=O)C(=O)N1CCCC1)NC1CCCCCCC1	155016158	DNJRQVAIZSBPBB-UHFFFAOYSA-N	310.398	1.052	50	20	DDGD	
COc1cccc([C@H](O)CNS(=O)(=O)CCCCCl)c1	154331583	OLWRXFTWEHNQFM-CYBMUJFWSA-N	321.826	1.667	50	20	DDGD	
O=C1O[C@H](C(=O)NNc2ccncc2Cl)Cc2ccccc21	154632818	AUJOWUFKPFKITG-ZDUSSCGKSA-N	317.732	1.960	50	20	DDGD	
CSSCCN=c1ccc(S(=O)(=O)N(C)C)c[nH]1	397965208	JTHWGEPIGXKIMQ-UHFFFAOYSA-N	307.466	1.177	50	20	DDGD	
CC[C@H]1CN(S(=O)(=O)c2ccc(CCCl)cc2)C[C@H]1O	399902907	NUVZCRCDMOZKIB-GXTWGEPZSA-N	317.838	1.859	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CCCOC2)c(C)c1	102891574	VHXCSWLLWGCMJK-CYBMUJFWSA-N	305.378	1.289	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](C)c1c(F)cccc1Cl	176141403	IHIODKCYPZZVOY-QMMMGPOBSA-N	317.748	1.907	50	20	DDGD	
Cc1cc(F)ccc1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	119556664	BMLNEEFAKNSUGE-GFCCVEGCSA-N	314.382	1.240	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cccc2cn[nH]c12	55353845	SBRIMIVFVGBMPZ-UHFFFAOYSA-N	324.340	1.575	50	20	DDGD	
O=C(CCc1ccco1)NNC(=O)c1cccc([N+](=O)[O-])c1	50122393	FHAOFABZXYWBAM-UHFFFAOYSA-N	303.274	1.582	50	20	DDGD	
NC(=O)c1ccc(F)c(NC(=O)NNc2ccc(Cl)nn2)c1	179778598	BMPMONHBSMBVFQ-UHFFFAOYSA-N	324.703	1.517	50	20	DDGD	
CC[C@@H](C)n1nccc1C(=O)NNC(=S)NCCSC	1349390659	BQSYIZHJZBARGC-SECBINFHSA-N	315.468	1.326	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H]1CCN(C)C(=O)C1)c1ccccc1	110337176	XRFAAGOOIPYPHI-ZIAGYGMSSA-N	317.389	1.196	50	20	DDGD	
CN(C)c1cccc(C(=O)NN[C@@H](C(N)=O)c2ccccc2)c1	26224105	DLYDCPMVYIMVIV-OAHLLOKOSA-N	312.373	1.214	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)c2ccccc2F)C[C@@H](C)O1	68194772	SIAPOCWFSGBLJC-TXEJJXNPSA-N	323.368	1.086	50	20	DDGD	
Cc1ccc(NNC(=O)CNC(=O)N2CCCC2)cc1Cl	1355205276	ZBWCFBONZSMKKF-UHFFFAOYSA-N	310.785	1.897	50	20	DDGD	
COCCC1(C(=O)NNC(=O)Cc2ccncc2)CCCC1	121986551	QZSHGXAQOREEKW-UHFFFAOYSA-N	305.378	1.368	50	20	DDGD	
N#Cc1cccc(NNC(=O)NCc2cccc(C(N)=O)c2)c1	128104251	WWEOEBCKZUIOBL-UHFFFAOYSA-N	309.329	1.483	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@H](O)c1ccco1	304984340	IZLWXPUFPMNUQW-NSHDSACASA-N	311.769	1.795	50	20	DDGD	
Cn1cc(CCC(=O)NNc2nc(-c3ccccc3)no2)cn1	76461762	KLKBRAQKFXIFJD-UHFFFAOYSA-N	312.333	1.546	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)COCc1ccccc1	73302260	FGVJXACZQMFZDQ-UHFFFAOYSA-N	313.357	1.463	50	20	DDGD	
CCC[C@H]1C[C@@H](C(=O)NNC(=O)Cc2ccncc2)CCO1	180352215	OIJAZEJRLGEATB-KBPBESRZSA-N	305.378	1.367	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNC(=O)c2ccc[nH]2)cc1OC	214300485	IGAKJHVRXRNKHN-VURMDHGXSA-N	315.329	1.506	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H]2CCCO2)oc2ccc(F)cc12	32259223	JPBIEKCSSGJTOL-LBPRGKRZSA-N	306.293	1.820	50	20	DDGD	
Cc1nc2cc(F)ccc2cc1C(=O)NNC(=O)[C@@H]1CCCO1	32260117	LUXCRWCBXSURNT-AWEZNQCLSA-N	317.320	1.622	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@@H]1C[C@H]2CC[C@@H]1O2	72805290	VLQIDIQWDZGJMV-UTUOFQBUSA-N	300.318	1.747	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1nnc(C(C)(C)C)s1	184515193	SOOPPJVRNOIKBW-UHFFFAOYSA-N	322.394	1.641	50	20	DDGD	
CN(NC(=O)CCc1ccc(OC(F)(F)F)cc1)C(N)=O	181059591	FLODGJBFPCISFI-UHFFFAOYSA-N	305.256	1.560	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc(-n3ccnn3)cc2)n1	132322319	NQGFDHLODGQKKV-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
CSC[C@@H]1CCCN1CC(=O)NNC(=O)c1ccc(C)cc1	135470468	YNAGOQWGUTVJNQ-AWEZNQCLSA-N	321.446	1.583	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1COc2cc(C)c(C)cc21	184762455	RAVDHEFXMNUDAU-GFCCVEGCSA-N	305.403	1.461	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)C(=O)N1CCCC1)c1ccc(F)cc1	132191857	IPKSFHNTSPTZRL-LLVKDONJSA-N	321.352	1.089	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](C)c2cnn(C)c2C)o1	84153427	FNUVLBBJTZKUNE-VIFPVBQESA-N	305.338	1.335	50	20	DDGD	
CC(=O)NNC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1	195436527	PERJTEMOBMEXGC-UHFFFAOYSA-N	319.752	1.579	50	20	DDGD	
CC(=O)NNC(=O)c1cnn(-c2ccc(F)cc2)c1C(C)C	193146036	YZPPFAFCNLOJCC-UHFFFAOYSA-N	304.325	1.916	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1cc(C)c(C)o1	134605255	WZCZPZMCXNDAOL-UHFFFAOYSA-N	317.345	1.778	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1cn2ccccc2n1)C1CCC1	131368127	ABKQGBVZAWUYNV-NSHDSACASA-N	315.377	1.396	50	20	DDGD	
CCCCN1CCC(NC(=O)NNc2nc(C)cc(C)n2)CC1	194951312	XDMNRZXTEPHTTR-UHFFFAOYSA-N	320.441	1.984	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])cc1	46662587	NORRVBDBYXFPMZ-UHFFFAOYSA-N	310.269	1.541	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@@H]2OC(=O)c3ccccc32)o1	84291696	KQDBQOSUVJCWHQ-ZDUSSCGKSA-N	314.297	1.651	50	20	DDGD	
Cc1ncc(/C=C/C(=O)NNC(=S)N[C@@H](C)C2CC2)s1	83675546	YNQNSTUAZXIYPW-GJIOHYHPSA-N	310.448	1.759	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CCC[C@H](C)CC2)n1	190925768	IVHBMUQRJMMBON-SMDDNHRTSA-N	321.425	1.799	50	20	DDGD	
CC(C)NC(=O)c1ccc(NC(=O)NNc2cnccn2)cc1	92430447	WBYHFAXANDEOMA-UHFFFAOYSA-N	314.349	1.763	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cccc2cn[nH]c12	91822093	JCVXOWITWGJDJC-UHFFFAOYSA-N	309.420	1.035	50	20	DDGD	
CCS(=O)(=O)N1CCN(/C(=C\C#N)c2ccc(F)cc2)CC1	255279440	ZOMKHBCPUKULDX-CHHVJCJISA-N	323.393	1.657	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCCS2)cc1C	266513550	IDCNFFLUVCASKO-LBPRGKRZSA-N	321.402	1.285	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)O)o1)c1cccc([N+](=O)[O-])c1	261126992	KKVWRMWBUAVJPC-UHFFFAOYSA-N	303.230	1.650	50	20	DDGD	
COc1ccc(CCNC(=O)NNC(=O)C2CCC2)cc1OC	264755710	SBZCPMCPELYXMS-UHFFFAOYSA-N	321.377	1.377	50	20	DDGD	
CCCCC[C@@H](C)NC(=O)NNc1nc(O)c2cnn(C)c2n1	269342033	FYMJOZBCSFTOSV-SECBINFHSA-N	321.385	1.664	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCCC(F)(F)F	266684392	DFBMUELKBWJCNY-UHFFFAOYSA-N	319.283	1.982	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=S)N[C@H](C)C1CC1	263905637	SXXQVSJNNFGXBQ-SNVBAGLBSA-N	323.418	1.368	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cc(C(=O)OC)ccc1F	273491032	OABIZRKVCQFTNR-QMMMGPOBSA-N	311.313	1.811	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1cccc(OCC(C)C)c1	274142736	BMQIWGJSRPVRTQ-UHFFFAOYSA-N	309.322	1.047	50	20	DDGD	
COc1cccc(NNC(=O)C2(NC(=O)OC(C)(C)C)CC2)n1	272522958	LQOWIXCDSOXSBQ-UHFFFAOYSA-N	322.365	1.591	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)[C@H]1C[C@]12CCOC2	364097557	MJNQQKQFWVPAKL-RISCZKNCSA-N	309.391	1.048	50	20	DDGD	
O=C(NNc1c(F)cccc1Cl)[C@H]1CCCCS1(=O)=O	274468618	LYDUAZMYAKXUFQ-SNVBAGLBSA-N	320.773	1.890	50	20	DDGD	
CC[C@@H](C)Oc1cccc(NC(=O)C(=O)NNC(=O)C2CC2)c1	274013924	CPRLCQIAFXVDGZ-SNVBAGLBSA-N	319.361	1.360	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C(F)(F)C(F)F)nc1C	272243446	XWCCPFUQFHGBCH-UHFFFAOYSA-N	324.234	1.305	50	20	DDGD	
C[C@@](O)(CC(=O)NNC(=O)c1ccc2ccccc2n1)C1CC1	270032455	DVYFQXNAORGGCR-QGZVFWFLSA-N	313.357	1.547	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@]12CCOC2)c1cc(Cl)ccc1O	373409303	SMYVXQOWWNOIPY-QMTHXVAHSA-N	310.737	1.233	50	20	DDGD	
CCCc1nnc(S)n1CC(=O)NNc1ncccc1F	285805294	ASCSNSLNHZTJKY-UHFFFAOYSA-N	310.358	1.197	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@H](OC)C1CC1	280887585	ZUBQJDVWJASOSE-GFCCVEGCSA-N	309.391	1.438	50	20	DDGD	
COCCN(C)NC(=O)/C=C/c1ccc(OCC#N)c(OC)c1	288461851	QEAJOCMDNCXPRD-FNORWQNLSA-N	319.361	1.220	50	20	DDGD	
C[C@@H](NC(=O)CC(C)(C)C)C(=O)NNC(=O)Nc1ccccc1	283687780	IJYPWQRCIGZTKS-LLVKDONJSA-N	320.393	1.780	50	20	DDGD	
C[C@H]1COCC[C@H]1CNC(=O)NNC(=O)c1ccccc1F	288899768	ZUAFDDCFABKUCN-QWRGUYRKSA-N	309.341	1.442	50	20	DDGD	
O=C(NNc1cccc(F)c1)[C@H]1CC12CCS(=O)(=O)CC2	287805501	AQAASPSNCKKTKB-GFCCVEGCSA-N	312.366	1.484	50	20	DDGD	
COc1ccc(SCC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	294330563	SPMSDJNDDPGXQY-GWCFXTLKSA-N	324.402	1.502	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H]1CCN(c2ccccc2F)C1	294276057	VHHHQSIBXCBLPH-GFCCVEGCSA-N	305.353	1.600	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(-c2ccccc2)no1	295618293	RHWJFELNAVHNTB-CYBMUJFWSA-N	315.329	1.672	50	20	DDGD	
Cc1ccccc1C[C@H](C)NC(=O)NNC(=O)[C@@H]1CCCO1	291550600	ATDVZYSNQLMQDF-JSGCOSHPSA-N	305.378	1.435	50	20	DDGD	
CCSCC(=NNC(=O)C(=O)NC(C)C)c1ccccc1	807960688	ZUJNEDZGWJPYIK-UHFFFAOYSA-N	307.419	1.785	50	20	DDGD	
O=C(C[C@H]1C=CCC1)NNC(=O)Nc1ccc2c(c1)OCO2	802095367	AXWBJYCZXQCXOD-JTQLQIEISA-N	303.318	1.924	50	20	DDGD	
O=C(NNc1c(F)cccc1Cl)[C@@H]1OC[C@@H]2COCC[C@H]21	291330877	QIACJYHGMVWAAG-IGJMFERPSA-N	314.744	1.974	50	20	DDGD	
Cc1nc(C(C)C)ccc1C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	294012461	WAYJDSQXBMRVRB-HZMBPMFUSA-N	305.378	1.842	50	20	DDGD	
CC(=O)Nc1cc(NC(=O)NNC(=O)[C@@H]2CCCO2)ccc1C	292609347	KHXYDRXQAWKCJM-ZDUSSCGKSA-N	320.349	1.285	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)C[C@H]1COc2ccccc2O1	295244552	MCEGYOFGOYDIRA-ZDUSSCGKSA-N	318.373	1.944	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc32)cc1	801108839	OFKVJIQGCMKFLU-OAHLLOKOSA-N	323.352	1.421	50	20	DDGD	
CCC[C@@]1(CO)CCN(S(=O)(=O)CBr)C1	808349743	ITUNPQDUXANNCE-SECBINFHSA-N	300.218	1.153	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@@H]1CC1(F)F	295418997	CGYBATDOBXHBKR-XVKPBYJWSA-N	318.707	1.910	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCC(F)(F)C1	807369132	QQKBQWKONLNAJQ-VIFPVBQESA-N	308.325	1.358	50	20	DDGD	
C[C@H]1CCC[C@@H]1CNC(=O)NNc1ccc(-n2ccnc2)nn1	805441045	NZJNPSFJVTYDAJ-NWDGAFQWSA-N	315.381	1.725	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2ccc(C(N)=O)c(Cl)n2)c1	807118615	MKDTVHRANJSNJY-UHFFFAOYSA-N	315.720	1.462	50	20	DDGD	
Cn1/c(=N\NC(=O)CCCCNC(N)=O)sc2ccccc21	299305245	SUWXPASYFOCIKD-NBVRZTHBSA-N	321.406	1.010	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc(-c2nnc(S)o2)cc1	294106699	JNEKUWYTGNLXHH-UHFFFAOYSA-N	318.358	1.586	50	20	DDGD	
O=C(NNc1cccc(F)c1)[C@@H]1CCCN1C(=O)C(F)(F)F	807118154	DNKOMOZBYXESGD-JTQLQIEISA-N	319.258	1.822	50	20	DDGD	
CS[C@H](C)C(=O)NNc1ccccc1S(=O)(=O)N(C)C	292279305	LIBYXDYKJONLGO-SECBINFHSA-N	317.436	1.132	50	20	DDGD	
COc1cccc(NCC(=O)NN=Cc2cn(C(C)C)nn2)c1	807957775	XTTDOIRUNMIXKT-UHFFFAOYSA-N	316.365	1.430	50	20	DDGD	
N#Cc1ccc2c(c1)C(=NNC(=O)C(=O)Nc1ccccn1)CC2	811644931	QXIKRFAAWGDVBR-UHFFFAOYSA-N	319.324	1.358	50	20	DDGD	
Cc1nn(C)c2cc(NC(=O)NNC(=O)c3cccnc3)ccc12	812991090	JYQZTOFYMQHPMW-UHFFFAOYSA-N	324.344	1.743	50	20	DDGD	
CC(C)OCc1nc([C@@H](C)NC(=O)NNc2cccnn2)no1	811973497	XSVBHWOFBLOVPM-SECBINFHSA-N	321.341	1.172	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1nnc(O)c2ccccc12)C(C)(F)F	814730864	VLYBJFJRBRUNQL-SSDOTTSWSA-N	324.287	1.388	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2cnc(N(C)C)nc2)n1	814779514	ODDBRUJXAUPDEC-UHFFFAOYSA-N	304.379	1.000	50	20	DDGD	
Cc1ccoc1CNC(=O)NNC(=O)COc1ccccc1O	813841226	JRVQQCOTXRLOBB-UHFFFAOYSA-N	319.317	1.203	50	20	DDGD	
Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)Cc1cc[nH]n1	814957703	NLUHAHZLOQEBLO-UHFFFAOYSA-N	322.372	1.905	50	20	DDGD	
Cc1nnsc1C=NNC(=O)c1c(C)nc2ccccn12	814213268	FPWFITDUYFVXFJ-UHFFFAOYSA-N	300.347	1.567	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=C2CCC[C@@H](C#N)C2)C[C@@H](C)O1	814766896	SRGARABSWJMUCX-BYNSBNAKSA-N	320.437	1.918	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCCC2)NNC(=O)c1ccnnc1	817692429	OFOKEHQBWFWUBF-UHFFFAOYSA-N	310.357	1.359	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CNC(=O)Cc1cccc(F)c1	816628568	AWKXHZNTORNAPX-UHFFFAOYSA-N	321.179	1.747	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C(C)C)cn1	811263005	ANDGPSWSMRLRPQ-SNVBAGLBSA-N	307.350	1.308	50	20	DDGD	
CCN(CCO)NC(=O)CCc1ccccc1Br	823852720	NTVSRKJZTVXSKW-UHFFFAOYSA-N	315.211	1.727	50	20	DDGD	
CC(C)(C)OC(=O)NC1(C(=O)NNC(=O)C(C)(C)C)CCC1	496210426	ZBINAQXLNRCYCG-UHFFFAOYSA-N	313.398	1.627	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@]1(c2ccccc2)CCCO1	823475638	QRVCSJHHLSVNHM-QEORTHHSSA-N	318.373	1.265	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H](C)CCc1ccccc1	825525191	BLRKFDIVKCTDME-IPYPFGDCSA-N	319.405	1.763	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc(F)cc1F	826448746	JLSBFPVENVHVOS-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
CC(C)(C)OC(=O)NC[C@@H]1CCCC1=NNC(=O)C(C)(C)O	492139340	YHMLZLAZLIDEAS-JTQLQIEISA-N	313.398	1.554	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F	823475620	QMPMBZBNWCLDLE-RFUOJGKKSA-N	324.327	1.641	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)COc1ccc(Cl)cc1Cl	823993031	IYHZSQTXIGWJHS-MRVPVSSYSA-N	307.177	1.716	50	20	DDGD	
CN(C)CC(C)(C)CNC(=S)NNC(=O)Nc1ccccc1	727073706	PRRSSYXZMKFOGZ-UHFFFAOYSA-N	323.466	1.775	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NNc2ncccn2)C1	496223268	DBTGGYDGUMTQHU-AOOOYVTPSA-N	307.354	1.223	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(N2CCCCC2)nc1	494467473	GFSTXOOXKHJXSB-UHFFFAOYSA-N	307.354	1.855	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCCCc2sccc21	584982787	IOFOSQHWTLLSQK-UHFFFAOYSA-N	319.166	1.550	50	20	DDGD	
C[C@@H](COc1ccccc1)NCc1ccc(B(O)O)cc1F	585022601	SHBQVMXGKYNEPA-LBPRGKRZSA-N	303.142	1.063	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cnn(CC)c1C(F)(F)F	496179546	CPBFEYZMRFVCCF-UHFFFAOYSA-N	309.248	1.704	50	20	DDGD	
O=S(=O)(c1ccc2ccccc2c1)N1CC[C@H](B(O)O)C1	585060955	MGEZDSYAYAIFCP-ZDUSSCGKSA-N	305.164	1.077	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(C2CC2)nc2onc(C)c12	496861868	FTUSIMBPGCXIBH-UHFFFAOYSA-N	304.306	1.752	50	20	DDGD	
C[C@@H]1CCCCN1CCCNC(=O)/C(C#N)=C/c1cnn(C)c1	491048947	MBGOWMQUTSIASU-DWKHYPNZSA-N	315.421	1.708	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CCC1	824851992	HGNHNQRBZSNNNE-UHFFFAOYSA-N	312.333	1.128	50	20	DDGD	
N#CC(C#N)=CNc1ccnn1-c1ccc(-c2nn[nH]n2)cc1	737670513	CHQAFTWSLUDAHI-UHFFFAOYSA-N	303.289	1.395	50	20	DDGD	
C=C(CI)n1cc([C@@H](N)C(C)C)nn1	900641503	WLZVJXLBRDTULJ-VIFPVBQESA-N	306.151	1.840	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NN(C)C(=O)OC(C)(C)C	496624433	MAVMKCZLKVMAAP-NSHDSACASA-N	313.398	1.676	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1	490889298	RTHPNLDYHCDLDA-UHFFFAOYSA-N	319.277	1.171	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cccc(C(=O)OC(C)(C)C)c1	832178757	WDUJUYKEMGRIDG-UHFFFAOYSA-N	323.349	1.441	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2cccc(C(=O)O)c2)CCN1C	833600894	OFKIHYHESNNIHX-JQWIXIFHSA-N	306.366	1.494	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccn1)NOCC(F)F	836434307	MECHGEDRDCKLOF-UHFFFAOYSA-N	300.187	1.923	50	20	DDGD	
CCOC(=O)NNC(=O)CCC(C)(C)NC(=O)OC(C)(C)C	737763446	MYSSXFWRFYCZLH-UHFFFAOYSA-N	317.386	1.847	50	20	DDGD	
Cc1ncc(CN(C)[C@@H](C)C(=O)NNC(=O)CC(C)C)s1	731849352	XWWHGXNWDSMJEJ-JTQLQIEISA-N	312.439	1.465	50	20	DDGD	
CCOCC(=O)NN[C@@H](C(=O)N(CC)CC)c1ccccc1	734850315	ZUJOYFFITGINMZ-OAHLLOKOSA-N	307.394	1.253	50	20	DDGD	
O=C([C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F)N1CC[C@@H](B(O)O)C1	585063528	BKAGBCGZCHKIJL-UFJRKFNTSA-N	319.132	1.676	50	20	DDGD	
C=CCC(C)(C)CNC(=O)NNC(=O)Cn1nc(C)cc1C	838612621	CFVNCEJHMMMZDS-UHFFFAOYSA-N	307.398	1.433	50	20	DDGD	
CCOc1cccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	831336829	DBLRTGXWVBVJOL-GXFFZTMASA-N	307.350	1.663	50	20	DDGD	
Nc1ccc2c(c1)CCCC2=NNC(=O)CN1CCCC1=O	834931476	IQTKIRYRNUHNNV-UHFFFAOYSA-N	300.362	1.048	50	20	DDGD	
Cc1ccc(CN2CCCC2)cc1NCc1cccc(B(O)O)c1	585016650	UJCQCCHXXZTLBN-UHFFFAOYSA-N	324.233	1.883	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1	832588976	JBQLLOJMDOXLBI-GHMZBOCLSA-N	320.345	1.347	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)CCOc1ccccc1)C(F)F	836262924	KYIUQMWVVWEARZ-NSHDSACASA-N	315.320	1.830	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CCC(OC2CCCC2)CC1	834934829	XADJUIWOPLIZPE-UHFFFAOYSA-N	309.410	1.885	50	20	DDGD	
O=C1[C@@H](NS(=O)(=O)CCl)CCN1c1cccc(Cl)c1	830799906	UVAYRRWHFULJGN-JTQLQIEISA-N	323.201	1.561	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1N	834985930	QECDJJCAJLGDCX-CYBMUJFWSA-N	306.322	1.586	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1c(F)cc(F)cc1F	836292878	WASFZVTYEXWIPP-UHFFFAOYSA-N	303.284	1.980	50	20	DDGD	
C[C@@H]1CCC[C@H]2CCCN(C(=O)c3cccc(B(O)O)c3)[C@@H]21	584934637	ULSQTEDKLDCGGP-DVOMOZLQSA-N	301.195	1.407	50	20	DDGD	
CON(C)C(=O)CCC(C)=NNC(=O)CCc1ccccc1	834952684	LBHWREUPDQXIBB-UHFFFAOYSA-N	305.378	1.911	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCC[C@H](C(=O)O)C2)c(C)o1	832864946	XSRJTAYRTGHOEU-QWRGUYRKSA-N	308.334	1.548	50	20	DDGD	
O=C(NC[C@H]1CCc2ccccc21)NNC(=O)[C@@H]1CCCCO1	838431537	UUXFIMNZKPBKKF-HIFRSBDPSA-N	317.389	1.616	50	20	DDGD	
CSC[C@@H](C)NC(=O)NNc1cccc(-c2nn[nH]n2)c1	737175945	JVJYJXWSHPKDSJ-MRVPVSSYSA-N	307.383	1.244	50	20	DDGD	
O=C(NN=C1CCSCC1)c1cccc(-c2nn[nH]n2)c1	738128399	BCPFZVKWSNEOJG-UHFFFAOYSA-N	302.363	1.480	50	20	DDGD	
CC(C)(C)c1ccccc1OCC(=O)N1CC[C@H](B(O)O)C1	585069130	LHAFGEITEHRBLF-LBPRGKRZSA-N	305.183	1.438	50	20	DDGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN(C)C[C@@H](C)O	910150477	RYAMCTLGHFUUOU-OLZOCXBDSA-N	302.374	1.951	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H](C)Cc2cnn(C)c2)n1	839690717	JQYHHANUTLIFBE-MRVPVSSYSA-N	308.773	1.494	50	20	DDGD	
COc1cc(C=NNC(C)=O)ccc1OC(=O)c1cccnc1	916267206	KFPBBVOUMCTFOL-UHFFFAOYSA-N	313.313	1.779	50	20	DDGD	
CC(C)(O)[C@@H](Oc1ccccc1)C(=O)NNc1ncc(F)cn1	831352251	VNJRAGLGTHIQFH-LBPRGKRZSA-N	320.324	1.277	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cccc3c2OCCCO3)n[nH]1	917542963	AIABEPKNDMHWQE-UHFFFAOYSA-N	314.345	1.572	50	20	DDGD	
C=CC(C)(C)CNC(=O)NNC(=O)COc1ccc(C)cc1	838664141	AHAMTMSQIKQGNE-UHFFFAOYSA-N	305.378	1.916	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCSc2ccc(F)cc21	916357815	LZBVWQLWRGDQCF-UHFFFAOYSA-N	321.377	1.764	50	20	DDGD	
Cc1ccc(CNS(=O)(=O)CCl)c(N2CCOCC2)c1	830826931	IZJQQLRZVQBQNV-UHFFFAOYSA-N	318.826	1.447	50	20	DDGD	
O=C(NCC1CC1)NNC(=S)N[C@H]1CCc2ccccc2C1	742992117	IPSLLRLORDOJRI-AWEZNQCLSA-N	318.446	1.632	50	20	DDGD	
CNC(=O)NNS(=O)(=O)c1ccc(-c2ccccc2)cc1	919960726	DFEQXGXQPVAGIR-UHFFFAOYSA-N	305.359	1.476	50	20	DDGD	
Cc1ccc(SCCC(=O)NNC(=O)c2ncccn2)cc1	743288910	KAZKYLKQDTXTIV-UHFFFAOYSA-N	316.386	1.728	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CSCCC(C)(C)O)c1	848442305	BGXYTUHKUDFIIT-UHFFFAOYSA-N	310.419	1.650	50	20	DDGD	
O=C(CSc1ccncc1)NNC(=O)c1ccc(F)cc1	912794822	LQUDFIPEWNNRAP-UHFFFAOYSA-N	305.334	1.774	50	20	DDGD	
CC(C)[C@H](N)CNC(=O)NNC(=O)c1ccc2ccccc2n1	841944261	XYEULONDIGCAIL-GFCCVEGCSA-N	315.377	1.162	50	20	DDGD	
Cc1onc(CO)c1C(=O)NNC(=O)CCCc1ccccc1	847433270	YMAMMHVKKOLXHW-UHFFFAOYSA-N	317.345	1.259	50	20	DDGD	
C[C@H](C(=O)NNc1cc(F)c(F)cc1F)N1C(=O)CCC1=O	748797504	SFOITFHXBBYHKG-ZCFIWIBFSA-N	315.251	1.085	50	20	DDGD	
CCCCCCOc1ccc(C=NNC(=O)C(N)=O)cc1OC	916272518	ZMHCTAZPGCIQHB-UHFFFAOYSA-N	321.377	1.590	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](C#N)CCc1ccccc1	840572649	VSWKLQGWBASZHQ-CYBMUJFWSA-N	311.345	1.701	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(-c2cccc(Cl)c2)no1	910166157	TXKMHLUMWZGEFQ-SECBINFHSA-N	309.753	1.952	50	20	DDGD	
O=C(NNC(=O)c1cc(F)c(F)c(O)c1F)c1ccccn1	918758198	ZMFFROYZMUBJQL-UHFFFAOYSA-N	311.219	1.279	50	20	DDGD	
Cn1ccc2c(C(=O)NNC(=O)Cc3ccncc3)cccc21	747428043	ARVUGNYWSUFLLP-UHFFFAOYSA-N	308.341	1.577	50	20	DDGD	
CC(C)CNC(=S)NNC(=O)[C@@H](C)Oc1ccccc1F	916123716	QHCQIAGBZCXORR-SNVBAGLBSA-N	313.398	1.744	50	20	DDGD	
O=C(NN=Cc1ccc(O)cc1O)c1nnc(O)c2ccccc12	916320196	JAKRFIBLQSQVQU-UHFFFAOYSA-N	324.296	1.511	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H]1CCO[C@H](c2ccccc2)O1	847391696	FPTPFOKISBWAOW-HIFRSBDPSA-N	321.377	1.621	50	20	DDGD	
O=C(NNC(=S)N[C@@H]1CCOc2ccccc21)NC1CC1	741485737	ALWBZJVPPUQSSG-LLVKDONJSA-N	306.391	1.351	50	20	DDGD	
CNC(=O)c1c(NC(=O)[C@@]2(C)C[C@H]2Br)n[nH]c1C	913175844	WROSVIKERGSJPR-KBUNVGBDSA-N	315.171	1.190	50	20	DDGD	
CC(C)(C)OC(=O)CCCNC(=O)NNC(=O)C(C)(C)C	745934347	PWIUIWLUVMHPIY-UHFFFAOYSA-N	301.387	1.485	50	20	DDGD	
C[C@@H](CO)C1CCN(C(=O)/C(C#N)=C/c2cnn(C)c2)CC1	846471572	PZHUGBYXDWGSBS-QNKXHIPISA-N	302.378	1.194	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc(/C=C\C(=O)OC)o1	848638101	BYGCRCJJLKRKBC-CEHXRRPISA-N	318.329	1.525	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1ccc(Br)cn1	842555913	RPEOPMWIPYRNTR-GZMMTYOYSA-N	312.167	1.719	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)N[C@@H]1CCNC1	841939013	KEMKSJIYZQLAHQ-CQSZACIVSA-N	312.373	1.075	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Cc1nonc1C)c1ccccc1	845480414	CEHYGDWGEAIZBS-GFCCVEGCSA-N	302.334	1.262	50	20	DDGD	
CC(C)(CNC(=O)OC(C)(C)C)CC(=O)NNC(=O)C1CC1	929231615	HYSVRWBKPNGERV-UHFFFAOYSA-N	313.398	1.485	50	20	DDGD	
Cc1c(NNC(=O)NCCN2CCCC2=O)cccc1[N+](=O)[O-]	845476712	IWTIVRFKOGCUKX-UHFFFAOYSA-N	321.337	1.152	50	20	DDGD	
COc1ccnc(NNC(=O)c2cnc(C(C)(C)C)s2)n1	920288449	PJHFRZRTHMDAEC-UHFFFAOYSA-N	307.379	1.996	50	20	DDGD	
CC(C)n1ncc(C(=O)NNC(=O)c2cccc(Cl)c2)c1N	757688583	CHPOLZGBVVQJDA-UHFFFAOYSA-N	321.768	1.774	50	20	DDGD	
Cn1cc(CCCNC(=O)NNc2ccc(Cl)cn2)cn1	852047612	XJTSWTCEAWWMAC-UHFFFAOYSA-N	308.773	1.727	50	20	DDGD	
CC(C[C@H]1CCOC1)=NNC(=O)c1ccc2c(c1)OCCO2	751519745	AXJROFNFPVGWQR-GFCCVEGCSA-N	304.346	1.990	50	20	DDGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1cn(C)nn1	755550205	FMVCWDMNYOOKRO-LBPRGKRZSA-N	323.356	1.886	50	20	DDGD	
COc1ccc(NCC(=O)NN=C2C[C@H](C)N(C3CC3)C2)cc1	753955567	PJYCDWIRHRONBQ-LBPRGKRZSA-N	316.405	1.836	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc(-c2cccs2)[nH]n1	920858969	FIZVGYZLOKJRAD-UHFFFAOYSA-N	305.363	1.492	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CC(F)(F)F)c(OC)n1	756249543	XFHQZKMKTBFOOC-UHFFFAOYSA-N	322.243	1.204	50	20	DDGD	
O=C(NCCCn1cncn1)NNc1ccc([N+](=O)[O-])cc1F	853292744	WOOASISADNJVRB-UHFFFAOYSA-N	323.288	1.042	50	20	DDGD	
CN(C)c1ccc([C@@H]2C[C@H]2C(=O)NNc2cnnn2C)cc1	857271618	RRVNZNLLMQSRGP-QWHCGFSZSA-N	300.366	1.128	50	20	DDGD	
CO[C@H](C(=O)NNC(=S)N[C@@H](C)C1CC1)c1ccccc1	855098396	HBPOGRLEKDIFCV-GWCFXTLKSA-N	307.419	1.668	50	20	DDGD	
C[C@@H]1CN(C)CC1=NNC(=O)COc1ccccc1[N+](=O)[O-]	752164270	QYEWNISKKACRRQ-SNVBAGLBSA-N	306.322	1.027	50	20	DDGD	
O=C(Cc1cc(Cl)cc2c1OCC2)NNC(=O)NCC1CC1	755165131	YNHBVZNUBIIRHS-UHFFFAOYSA-N	323.780	1.558	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)CNc2ccccc2F)CN1C1CC1	753954572	DUMVWMPQYHPDPY-LLVKDONJSA-N	304.369	1.966	50	20	DDGD	
CC(C[C@H]1CCOC1)=NNC(=O)Cn1cnc2ccccc21	751520050	BXMANYLYUAESKB-CYBMUJFWSA-N	300.362	1.955	50	20	DDGD	
CC(=O)NNC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)(C)C	858109286	PNEJGWUULYGEDE-ZDUSSCGKSA-N	321.377	1.495	50	20	DDGD	
CO[C@@H](C=NNC(=O)CNC(=O)c1ccco1)C1CCCC1	853299699	VCKPBNYDVDUUGW-ZDUSSCGKSA-N	307.350	1.317	50	20	DDGD	
CSCC1(CCNC(=O)/C(C#N)=C/c2cnn(C)c2)CC1	855398245	VBXJFIQWGPKRKW-NTUHNPAUSA-N	304.419	1.977	50	20	DDGD	
O=C(COCC1CCCC1)NNC(=O)c1cccc(Cl)n1	857324326	DTXCPZLADKDCOQ-UHFFFAOYSA-N	311.769	1.703	50	20	DDGD	
C[C@H](CCc1ccc(F)cc1)C(=O)NNC(=O)Cc1cc[nH]n1	865198971	OAJMWXYIWONIEZ-LLVKDONJSA-N	318.352	1.508	50	20	DDGD	
COc1ccc([C@@H](C)C(C)=NNC(=O)[C@H]2CCC(=O)N2)cc1	863148479	CUNOALIAJGHBGH-IINYFYTJSA-N	303.362	1.569	50	20	DDGD	
COCCOCC(=O)NNC(=O)CCc1ccccc1Cl	869913415	FXRQFQOXNJBCFX-UHFFFAOYSA-N	314.769	1.083	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2ccncc2C)c1	769741894	HDRGZRDUMTVVPR-UHFFFAOYSA-N	315.329	1.482	50	20	DDGD	
CC(C)=NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1	867233600	VWBTYODRKXYNDS-UHFFFAOYSA-N	309.391	1.597	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2cnc(C3CC3)o2)cc1	863075035	IMWPNMFHSFVJGL-UHFFFAOYSA-N	312.329	1.949	50	20	DDGD	
C/C(=C/c1ccc(Cl)cc1)C(=O)NNC(=O)[C@H]1CCC(=O)N1	862457600	LYBDTAZGBYRXLG-JLVNDZCYSA-N	321.764	1.169	50	20	DDGD	
O=C(NCC(Cl)Cl)Nc1ccc(N2CCOCC2)cn1	866109422	HNBXSLOPYVEYOX-UHFFFAOYSA-N	319.192	1.843	50	20	DDGD	
O=C(CSCC(=O)N1CCCCC1)NNc1ccccc1	868096551	QCNTYXHBMQHQPX-UHFFFAOYSA-N	307.419	1.875	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)c2cn[nH]c2)[C@H]1Oc1ccccc1	863153958	JIZWHVDYXJIMKQ-HUUCEWRRSA-N	314.345	1.752	50	20	DDGD	
COc1nccnc1NNC(=O)C(=O)Nc1c(C)cccc1F	766260651	JACLBIKGDHCNGM-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
Cc1ccc([C@H](C)[C@@H](O)C(=O)NNC(=O)c2ccc[nH]2)cc1	764632529	MJTSYGLYMXNZHI-SMDDNHRTSA-N	301.346	1.249	50	20	DDGD	
CC(C)(NS(C)(=O)=O)C(=O)NNc1cccc(F)c1Cl	862509431	KKIJDVJRADGMMM-UHFFFAOYSA-N	323.777	1.250	50	20	DDGD	
O=C(NCc1ccc(F)cn1)NNC(=O)c1ccccc1F	764376694	HWSBAVQSLZFAKY-UHFFFAOYSA-N	306.272	1.504	50	20	DDGD	
CC(=NNC(=O)CS(C)(=O)=O)c1ccc(C(F)(F)F)cc1	863188591	YLINXYFLYCXFTQ-UHFFFAOYSA-N	322.308	1.590	50	20	DDGD	
COCCOCC(=O)NNC(=O)Cc1ccc(C(C)(C)C)cc1	869908619	RXLFBFCUGSAHCL-UHFFFAOYSA-N	322.405	1.337	50	20	DDGD	
C[C@H](NNC(=O)c1ccnc(O[C@H]2CCOC2)c1)C(F)(F)F	862318589	RJWYXQUSDIEWLL-WPRPVWTQSA-N	319.283	1.435	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)C(=O)Nc2cnn(CCF)c2)c1	861818310	YFMAELYNWDIJSO-UHFFFAOYSA-N	319.340	1.551	50	20	DDGD	
N#CSCCCNC(=O)Cn1cc(C(F)(F)F)ccc1=O	1118744296	VXIWAQKZWZYODZ-UHFFFAOYSA-N	319.308	1.588	50	20	DDGD	
COc1nccnc1NNC(=O)CSCc1cscn1	764471567	YWQFMRDNACWHLG-UHFFFAOYSA-N	311.392	1.318	50	20	DDGD	
C=CCNC(=O)COC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	769980418	AFJLHTWRRUOYLU-OUJBWJOFSA-N	316.195	1.786	50	20	DDGD	
CCO[C@@H]1CCCC1=NNC(=O)[C@@H]1COc2ccccc2O1	766430449	LDSAUQKRBNLVTO-DOMZBBRYSA-N	304.346	1.888	50	20	DDGD	
Cn1ccc(NNC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)n1	1117985045	FDWDVNOHEYXQMD-LLVKDONJSA-N	305.382	1.044	50	20	DDGD	
COc1ccc(C=NNC(=O)CO)cc1OCc1ccccc1	776783181	ZGSVTWARCNTNBQ-UHFFFAOYSA-N	314.341	1.717	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cc(O)cc([N+](=O)[O-])c1	772822402	DVISKYLRMGCMGP-UHFFFAOYSA-N	317.305	1.971	50	20	DDGD	
O=C(CO)NN=C1CCCOc2c(Br)cccc21	776780198	XIAXPGRXAHZSOJ-UHFFFAOYSA-N	313.151	1.434	50	20	DDGD	
CC1=NO[C@@H](C(=O)NNC(=S)Nc2cc(C)ccc2F)C1	874946656	QUHBTFDAXCOUGZ-LLVKDONJSA-N	310.354	1.617	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@]2(C1)OCc1ccccc12	770676978	SKMHCHGJEOABCN-YVEFUNNKSA-N	317.389	1.064	50	20	DDGD	
Cc1cccc(NNC(=O)NC[C@]2(N(C)C)CCSC2)n1	875341312	LYIQOZOBHJMADH-CQSZACIVSA-N	309.439	1.453	50	20	DDGD	
CCCc1cccc(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1	774373920	BXOPUYCEVILNDD-AWEZNQCLSA-N	323.418	1.459	50	20	DDGD	
CSc1nc(C2CC2)cc(C(=O)NN(C)C(N)=O)c1C#N	778416928	KQYQLRGCVVYBSR-UHFFFAOYSA-N	305.363	1.208	50	20	DDGD	
CC(C)c1nsc(NC(=O)/C(C#N)=C\c2cnn(C)c2)n1	874693571	IVSLLTOTODABOQ-WMZJFQQLSA-N	302.363	1.941	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C(C)(C)c2ccc(F)cc2F)cn1	878881648	KKKYXVNFJVQGIN-UHFFFAOYSA-N	322.315	1.437	50	20	DDGD	
C=C(CN(C)C)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874953089	RFVCVUJYEBFNST-UHFFFAOYSA-N	321.450	1.188	50	20	DDGD	
CCCCC[C@@H](O)C(=O)NNC(=O)c1nc2ccccc2s1	874914091	KXHVQQKMICDAMZ-LLVKDONJSA-N	321.402	1.999	50	20	DDGD	
O=C(CO)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	776779721	KDMXHWBKWDLQOK-UHFFFAOYSA-N	323.692	1.951	50	20	DDGD	
O=C(CN1CCC(F)(F)C1)NNC(=O)c1cccc(Cl)c1	776609689	OAYHVYYOIDUVBJ-UHFFFAOYSA-N	317.723	1.442	50	20	DDGD	
O=C(NNC(=O)C1(F)CCCC1)c1cc(Br)c[nH]1	771853340	FNCPZXZCJCJOIE-UHFFFAOYSA-N	318.146	1.821	50	20	DDGD	
N#Cc1ccsc1NC(=O)C(=O)NNc1ncncc1Cl	1117751981	YANZISZVVCURDW-UHFFFAOYSA-N	322.737	1.145	50	20	DDGD	
CC[C@@H](CSC)N(C)CC(=O)NNC(=O)c1ccc(C)cc1	773714374	KYURCXWRZZVZFS-AWEZNQCLSA-N	323.462	1.829	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc(C(=O)OC)c1OC	879985165	VHULRVCKLUSPJJ-UHFFFAOYSA-N	311.338	1.097	50	20	DDGD	
Cc1cc(=NNC(=O)NCc2ccc(N(C)C)nc2)cc[nH]1	875070521	BNXMAVVQYKMGLW-UHFFFAOYSA-N	300.366	1.099	50	20	DDGD	
COCc1ccc(C(=O)NNC(=O)C2CCOCC2)cc1F	883072461	MZEKRLQTTMITBR-UHFFFAOYSA-N	310.325	1.160	50	20	DDGD	
COCCn1cc(C(=O)NNc2cc(F)ccc2F)c(C)n1	885143067	RZPBGVWHGOCRME-UHFFFAOYSA-N	310.304	1.873	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCC(NC3CCC3)CC2)cn1	889825003	YYZFIDQCADYPQF-ZROIWOOFSA-N	313.405	1.460	50	20	DDGD	
COCC1=CCN(CC(=O)NNC(=O)c2cccc(C)c2)CC1	775825374	BXNIOWINVFJKNS-UHFFFAOYSA-N	317.389	1.035	50	20	DDGD	
O=C(NNC(=O)C1(c2cccc(Cl)c2)CC1)C1CCOCC1	883061101	IJIUQRRBQWHLCM-UHFFFAOYSA-N	322.792	1.946	50	20	DDGD	
C[C@H](C(=O)NNc1c(F)cc(F)cc1F)N1C(=O)CCC1=O	885150692	GTLAVQGDEIUEPP-ZCFIWIBFSA-N	315.251	1.085	50	20	DDGD	
Cc1c(C#N)cccc1NC(=O)C(=O)NN(C)c1ccccc1	783432727	DAAFKTYMHNYQQT-UHFFFAOYSA-N	308.341	1.973	50	20	DDGD	
CC(C)[C@@H](F)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	784145989	YICFWQGBGKYWRO-BXKDBHETSA-N	300.305	1.735	50	20	DDGD	
COc1ccc(C)cc1CC(=O)NNC(=O)C1CCOCC1	883060766	WLQVZMDBQUQDFN-UHFFFAOYSA-N	306.362	1.120	50	20	DDGD	
Cc1ccc(C(F)(F)C(=O)NNc2ccc(C(N)=O)nn2)cc1	780629209	LFSMDGMYUJMQTN-UHFFFAOYSA-N	321.287	1.119	50	20	DDGD	
COc1ccc(NNC(=O)c2cc3nn[nH]c3cc2F)nc1	782045213	CCHCMKUMRKXRQI-UHFFFAOYSA-N	302.269	1.258	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cc(-c2cccc(C#N)c2)no1	789915948	VVDUVLUWBXXSAO-UHFFFAOYSA-N	313.317	1.566	50	20	DDGD	
CSSCCNC(=O)[C@@H]1CC(c2cnn(C)c2)=NO1	1120649012	QOJVHYRSQAKSIQ-JTQLQIEISA-N	300.409	1.041	50	20	DDGD	
Cc1ccc(C[C@H](C)C(=O)NNC(=O)C2CCOCC2)cc1	883067839	XQYZVHWAJHBMTD-ZDUSSCGKSA-N	304.390	1.748	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)C2(c3ccccc3)CCC2)CC1	788166187	JPYZKEQBFWRLMQ-UHFFFAOYSA-N	316.405	1.097	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1cccc2ccccc12	784916934	FHGVPANCNAACPE-UHFFFAOYSA-N	314.345	1.471	50	20	DDGD	
N#CC1=CCN(C(=O)c2cccc(CN3CCOCC3)c2)CC1	780689127	URDXKBOZIYCQSM-UHFFFAOYSA-N	311.385	1.815	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(CCCNS(=O)(=O)CCCCl)C1	881791915	QMTKBWSWVDJYIT-BETUJISGSA-N	310.891	1.903	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)CC(C)(C)OC)cc1	787866752	VPFQZSVDBCNCOE-UHFFFAOYSA-N	309.366	1.070	50	20	DDGD	
CC1(NC(=S)NNC(=O)c2cccc3ncccc23)CC1	789231124	GWLHBAXVCBRTQK-UHFFFAOYSA-N	300.387	1.896	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@@H]1C[C@H]1c1ccncc1	1125743310	FGVKDERAUUDRKC-JKSUJKDBSA-N	309.369	1.965	50	20	DDGD	
CCc1ccccc1NC(=S)NNC(=O)Nc1noc(C)n1	781109568	FADXJDPIMVOIND-UHFFFAOYSA-N	320.378	1.964	50	20	DDGD	
COCC(=NNC(=O)c1sc(N)nc1C)C1CCOCC1	780209711	LPTHTSKSFOCDTD-UHFFFAOYSA-N	312.395	1.193	50	20	DDGD	
CC(C)(C)[C@H]1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1	784508808	DLTPKVBXJXRFBF-ZDUSSCGKSA-N	321.396	1.955	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnc(-c2ccccn2)s1	780710777	HZHZHYVROOZRJE-UHFFFAOYSA-N	305.363	1.511	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)c1	780314768	KDOZKPJSHDGRBX-DAXOMENPSA-N	318.373	1.255	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)c2cnn(C)c2)c(C)c1OC	794908042	HSSGWCVYHIHNMR-UHFFFAOYSA-N	316.361	1.900	50	20	DDGD	
COC(=O)C[C@H]1CCC(=NNC(=O)c2ccc(O)c(O)c2)[C@@H]1C	794558675	HVWXJVGMKCCGSO-NXEZZACHSA-N	320.345	1.793	50	20	DDGD	
COc1nccnc1NNC(=O)c1c[nH]nc1-c1ccoc1	790930894	JZOWOUCZGPSRHL-UHFFFAOYSA-N	300.278	1.225	50	20	DDGD	
O=C(NN=Cc1cc2c(cc1O)OCO2)c1ccc(O)c(O)c1	794557573	DYQRLQYUGAEAGC-UHFFFAOYSA-N	316.269	1.296	50	20	DDGD	
Cc1cc(OCC(=O)NNC(=O)c2ccc[nH]2)ccc1[N+](=O)[O-]	797610244	MNJCWZQZHUBCKD-UHFFFAOYSA-N	318.289	1.071	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccc2ccccc2c1)C(=O)OC	790359722	SRZFYMOXCRFUNK-CQSZACIVSA-N	314.341	1.800	50	20	DDGD	
COc1ccc(C=NNC(=O)c2ccc(O)c(O)c2)c(OC)c1	794558488	YESKTRXOBVVTBE-UHFFFAOYSA-N	316.313	1.879	50	20	DDGD	
Cn1c(Cl)cnc1C=NNC(=O)COc1ccccc1C#N	799472429	OTQGKAQDAIIDAE-UHFFFAOYSA-N	317.736	1.474	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCOC[C@@H]2CCCO2)cc1	1318789475	OYTGTYGDPQKEJZ-AWEZNQCLSA-N	322.361	1.042	50	20	DDGD	
Cc1ccc(CC(=O)NNc2nncc(N)c2Cl)cc1O	1319783842	HVRBTPNGRCRFCI-UHFFFAOYSA-N	307.741	1.412	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)C12CCCN1CCC2	1328667322	WGWSDVKGLQPNOC-UHFFFAOYSA-N	317.389	1.231	50	20	DDGD	
Nc1cnnc(NNC(=O)NC[C@H]2CCC(F)(F)C2)c1Cl	1325058016	MDCKQCCEIORPHL-LURJTMIESA-N	320.731	1.774	50	20	DDGD	
COc1cc(F)cc(NC(=O)C(=O)NNc2cccc(F)n2)c1	1323115266	WSUBYQHOODQCFE-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
COc1cccnc1CC(=O)NNC(=O)c1ccccc1Cl	1326961256	XITQFVHDQJQJEP-UHFFFAOYSA-N	319.748	1.747	50	20	DDGD	
CSSCCNC(=O)N[C@H](C)C(=O)NCC(F)(F)F	1321736880	BRTHDVZSUFBBBP-ZCFIWIBFSA-N	319.374	1.364	50	20	DDGD	
COc1cccc(C[C@@H](O)C(=O)NN=c2cc[nH]cc2Cl)c1	1255532386	ZLQKQFHUUSFCAA-CQSZACIVSA-N	321.764	1.212	50	20	DDGD	
CCOCc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	1332151843	HQVDZNKINMLDQJ-BXUZGUMPSA-N	321.377	1.801	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C(C)(C)N2CCCCC2)cc1	1339307257	SLQDTPNQQSZHAX-UHFFFAOYSA-N	319.405	1.721	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccc(OCC2CC2)nc1	1338929604	DIRRDYFZFPGULU-UHFFFAOYSA-N	324.344	1.670	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2[nH]c(C)cc2C)c1	1252974025	BUWHYMZIQKOQES-UHFFFAOYSA-N	316.361	1.513	50	20	DDGD	
CS[C@@H]1CCC[C@H](NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)C1	1332089351	LZAAKUJZRRLLRQ-WRWGMCAJSA-N	315.439	1.416	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=O)NC2CCCCC2)c1C	1335407197	JHUKYAGTSVPOHB-UHFFFAOYSA-N	307.398	1.878	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCC(C)(C)C(=O)O)cc1	1261435111	JHAKQWDYJBILDU-UHFFFAOYSA-N	323.349	1.140	50	20	DDGD	
C[C@H](O)CC(C)(C)CNC(=O)NNc1nncc(N)c1Cl	1340571608	HPJQDICJQVOZRY-ZETCQYMHSA-N	316.793	1.135	50	20	DDGD	
CCC1(C(=O)NNC(=O)c2cncn2-c2ccccc2)COC1	1340175173	YHTAFZOPOAZPNR-UHFFFAOYSA-N	314.345	1.060	50	20	DDGD	
O=C(NCCOC1CCSCC1)NNc1ccc(F)cn1	1342688270	RJJDGBNVSGHWOR-UHFFFAOYSA-N	314.386	1.759	50	20	DDGD	
CC[C@@H](C)n1nccc1C(=O)NNc1ccc(C(=O)OC)cn1	1346486878	RPRAXQMXONGTQM-SNVBAGLBSA-N	317.349	1.793	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1oc(C2CC2)nc1C(F)F	1263712478	FQQSEZQUAVUHII-UHFFFAOYSA-N	314.292	1.844	50	20	DDGD	
CCOc1ccc(NNC(=O)c2cccc(C(=O)NC)n2)cc1	1261249505	PJZUPEMLPUWYKQ-UHFFFAOYSA-N	314.345	1.597	50	20	DDGD	
Cn1cnc2cc(C=NNC(=O)c3n[nH]c4c3CCCC4)ccc21	1341268740	JNMWUTWREBGZCY-UHFFFAOYSA-N	322.372	1.939	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)C2(C(C)(F)F)CC2)n1	1351131060	ZAFDNLAYPXNUOU-UHFFFAOYSA-N	300.309	1.083	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cnn(C2CCCCC2)c1	1353031127	VZVGJZXSYRKTHY-UHFFFAOYSA-N	320.393	1.576	50	20	DDGD	
CC(C)Cn1cc(C(=O)NNc2cnnn2C)c(C(F)F)n1	1351216700	ODONOYPKRXVQGM-UHFFFAOYSA-N	313.312	1.362	50	20	DDGD	
O=C(O)C(=O)NN=C1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]12	1601637712	IYDULCBDVSXNQF-KGLIPLIRSA-N	315.373	1.475	50	20	DDGD	
O=C(O)Cn1ccc(NC(=O)NNc2ccc(Cl)cn2)n1	1606348904	VTUAQLPDSQDDOC-UHFFFAOYSA-N	310.701	1.165	50	20	DDGD	
O=C(NNc1ncncc1F)Nc1cc(C(=O)O)ccc1F	1601563781	QVHGOQQJTCRELQ-UHFFFAOYSA-N	309.232	1.602	50	20	DDGD	
Cc1cc(C(=O)NNc2cc(Cl)nc(N)n2)oc1C(=O)O	1607580080	QMJCRMZWOFJIDJ-UHFFFAOYSA-N	311.685	1.069	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1604129013	UMDNQORTHAETDS-CYBMUJFWSA-N	324.772	1.514	50	20	DDGD	
O=C(NCC1CCOCC1)NNc1cccc(C(=O)O)c1F	1608439320	RTQXSVLQZVGJAR-UHFFFAOYSA-N	311.313	1.577	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(C(=O)O)c1)C(=O)OC(C)(C)C	1609636459	VOUCZSBJZUXSLM-SECBINFHSA-N	308.334	1.806	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C/c1ccc(O[C@H](C)C(=O)O)cc1	1605719050	SGPXUVXUBAXDEM-SEEODLKFSA-N	309.343	1.838	50	20	DDGD	
Cc1nn(Cc2ccccc2)c(Cl)c1C=NNC(=O)C(=O)O	1600790083	CAOKRBDIGIJUJD-UHFFFAOYSA-N	320.736	1.428	50	20	DDGD	
O=C(O)c1ccnc(C(=O)NNc2cnc3ccccc3n2)c1	1602482141	NRCMFUUPERYSTG-UHFFFAOYSA-N	309.285	1.480	50	20	DDGD	
CN(C)c1ccc(-c2nn[nH]n2)cc1C=NNC(=O)CC1CC1	1604697665	QXTDIPSHABKKLZ-UHFFFAOYSA-N	313.365	1.183	50	20	DDGD	
Cc1ccc(-n2cc(C=NNC(=O)NCC(=O)O)c(C)n2)cc1	1600321778	TYWUBKCTNJUMSY-UHFFFAOYSA-N	315.333	1.207	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(-c2nn[nH]n2)cc1)C(F)(F)F	1605404514	NGMWKWTVXTYHNR-ZCFIWIBFSA-N	315.259	1.444	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1ccc(F)cc1C	1549317145	JTIOFICTLDUDJS-HOCLYGCPSA-N	319.380	1.838	50	20	DDGD	
O=C(NCCc1cccnc1)NNc1cccc(C(=O)O)c1	1610695701	PJOMEMICTPPSAL-UHFFFAOYSA-N	300.318	1.649	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCO[C@H]1c1ccnn1C)c1cn[nH]c1	1549319782	LLSKBGVZWNEBGC-GXTWGEPZSA-N	316.365	1.151	50	20	DDGD	
O=C(NN=C[C@@H]1CCc2ccccc21)[C@@H]1CN2CCC[C@H]2CO1	1549314989	AKCOIXVCRGXHSF-ZOBUZTSGSA-N	313.401	1.682	50	20	DDGD	
O=C(NN=Cc1cncc2ccccc12)[C@H]1CN2CCC[C@H]2CO1	1549318990	RRJYUPQYNSILBX-DOTOQJQBSA-N	324.384	1.548	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@@H]1CN1CCC[C@@H](CNC(=O)[C@@H]2CCCN2)C1	1576572826	NAACNNIAJXFTEJ-RMEBNNNOSA-N	313.873	1.440	50	20	DDGD	
CCCc1cc(NC(=O)NNc2ncccc2C(=O)O)n(C)n1	1589689247	XLYQMBQCAXFNSZ-UHFFFAOYSA-N	318.337	1.614	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)c1c[nH]nc1[C@@H]1CCNC1	1580737885	ZUIOPDFAQMDFPV-MRVPVSSYSA-N	307.304	1.522	50	20	DDGD	
C[C@@H]1CCCC[C@H]1CC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1590254957	YJFPUSJJTNYBQF-MNOVXSKESA-N	315.381	1.921	50	20	DDGD	
Cn1cc(Cl)c(NC(=O)NNc2ncccc2C(=O)O)n1	1594545683	FUEPESSYBXFKHY-UHFFFAOYSA-N	310.701	1.315	50	20	DDGD	
CO[C@@](C)(C(=O)O)C(=O)NNc1ccc(C(F)(F)F)cn1	1593927271	VXFNTARVCDTULW-SNVBAGLBSA-N	307.228	1.033	50	20	DDGD	
Cc1cc(C(=O)NNc2ncccc2C)ncc1-c1nn[nH]n1	1591930335	RATFQGURNGTERT-UHFFFAOYSA-N	310.321	1.030	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NNc1cccc(C(=O)O)c1C	1595639105	PCDRLOQWHWMGSM-LBPRGKRZSA-N	322.365	1.363	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C\c1ccc(-c2nn[nH]n2)c(F)c1	1590602565	POJMMDYEWCAPBW-XFFZJAGNSA-N	314.324	1.829	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1c(O)c(C(=O)O)cc2ccccc12	1776054965	KYEUOOAONCSVEB-UHFFFAOYSA-N	316.313	1.465	50	20	DDGD	
O=C(N/N=C1/C(O)=Nc2ccc(Cl)cc21)C(=O)NC1CC1	17471516	OJSZOBMBNJNSSG-UHFFFAOYSA-N	306.709	1.041	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(Cc2cccnc2)CC1	158807449	FAABHGWRNRESSZ-SQFISAMPSA-N	300.362	1.170	50	20	DDGD	
CN(C)c1cccc(NC(=O)NNC(=O)c2cccc(C#N)c2)n1	152675169	FIMCSCILNGEJOD-UHFFFAOYSA-N	324.344	1.486	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=S)Nc1ccc(N(C)C)cc1	153219035	VTZSRNKFKLUOFK-LLVKDONJSA-N	324.450	1.885	50	20	DDGD	
C[C@H](NC(=O)CC1CCCCC1)C(=O)NNC(=O)C(C)(C)C	153833149	HGHICDGDZQKCQR-NSHDSACASA-N	311.426	1.655	50	20	DDGD	
CCCN1CC[C@H](CNC(=O)NNc2ccc(OC)cn2)C1	157509625	UDNALWBDKDHYPQ-GFCCVEGCSA-N	307.398	1.448	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccccc1)Cc1cccs1	7845763	GNEYOUGKOSJZAW-UHFFFAOYSA-N	303.387	1.641	50	20	DDGD	
COc1ccsc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	105938565	FVUPZSZXFYWVTP-UHFFFAOYSA-N	321.314	1.740	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1cc2c(s1)CCCCC2	106452204	TZIVRIHBBHZIGO-UHFFFAOYSA-N	318.402	1.744	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCc1cccnc1	9680485	VQQNHJZAQRLQFR-UHFFFAOYSA-N	302.309	1.294	50	20	DDGD	
O=C(COc1ccccc1Cl)NNc1ncnc2nc[nH]c12	173966358	ZLIQMXJLGPPXOX-UHFFFAOYSA-N	318.724	1.528	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)NNC(=O)Cc2cccnc2)[C@H](C)C1	113401241	RBUXDBLPNHINLA-BZPMIXESSA-N	304.394	1.779	50	20	DDGD	
O=C(COc1ccccc1)NNc1nc(-c2ccncc2)no1	102159069	KGMAKWFBHBFKGB-UHFFFAOYSA-N	311.301	1.654	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1ccc(N2CCCC2)nc1	118503112	MGTYIJMJYHCWTI-UHFFFAOYSA-N	318.768	1.882	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2c[nH]nc2C)c2ccccc12	110759499	ZPHQFIMKRVJBPK-UHFFFAOYSA-N	324.340	1.955	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2cccnc2Cl)n1	65774578	CHSMYKNGISJLIN-UHFFFAOYSA-N	322.756	1.401	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cc(Br)c[nH]1)C1CC1	175211598	UEHYJNYIHGJJLL-LURJTMIESA-N	300.156	1.584	50	20	DDGD	
CSC[C@@H](C)C(=O)NNC(=O)c1cc(Cl)ccc1O	66927323	ACEWOLFJLOFUEM-SSDOTTSWSA-N	302.783	1.806	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)c1ccccc1OC)c1ccccc1	117941272	JJPSIGMGRHRFDB-HNNXBMFYSA-N	314.341	1.844	50	20	DDGD	
Cc1ccc(F)cc1S(=O)(=O)NNC(=O)NC1CCCC1	65832976	XQQVBJGCZGFGLZ-UHFFFAOYSA-N	315.370	1.569	50	20	DDGD	
Cc1nn(C)c2sc(C(=O)NNC(=O)NC3CCCC3)cc12	68283667	GXEGEXUDAQNKHK-UHFFFAOYSA-N	321.406	1.830	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2sccc2OC(F)F)cn1	117680993	HLOGYOBAXMZXPA-UHFFFAOYSA-N	316.289	1.158	50	20	DDGD	
CC(C)NC(=O)NNC(=O)C1CCN(Cc2ccccc2)CC1	63265332	RPVBLUQAZUFZCH-UHFFFAOYSA-N	318.421	1.637	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CNC(=O)CC(C)(C)C	67464677	WANFSIHOIZMEJN-UHFFFAOYSA-N	320.393	1.700	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccn(-c2ccc(F)cc2)n1	119520488	ZVUDCPFJULILIR-UHFFFAOYSA-N	305.313	1.364	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCOC1)c1cc(-c2ccccc2)on1	66942443	JZNHXTZMXCXSAD-NSHDSACASA-N	301.302	1.139	50	20	DDGD	
C[C@H]1CC[C@@H](CCC(=O)NNC(=O)COCc2ccccc2)O1	174086270	IWOWSIBVUQJJGV-ZFWWWQNUSA-N	320.389	1.698	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)c1c[nH]c2ccccc12)C1CC1	127059640	CMUPECKKYPQMOV-AWEZNQCLSA-N	316.361	1.537	50	20	DDGD	
CCOC(=O)NNC(=O)c1cn(CCOC)c2ccccc12	62245557	NHGMVJXRFUXJDM-UHFFFAOYSA-N	305.334	1.679	50	20	DDGD	
CC[C@H](CO)NC(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C	182385808	VTOMEVOOCRPMEK-HTRKUNOGSA-N	319.405	1.545	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2ccc(C)cc2)nc1	122357693	IOMIJNXZEPLUKG-UHFFFAOYSA-N	300.318	1.480	50	20	DDGD	
O=C(NNc1nnc(C2CC2)s1)[C@H]1Cc2ccccc2O1	184518852	ZKVSKGAMLHQRDI-LLVKDONJSA-N	302.359	1.862	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)C(C)(C)C)N(C)c1ccccc1	79266799	ZMUQWAFSACXHJO-LBPRGKRZSA-N	306.410	1.888	50	20	DDGD	
CS(=O)(=O)Nc1ccccc1C(=O)NNc1ccnc(F)c1	182514484	QUFCWNMDVGQHSO-UHFFFAOYSA-N	324.337	1.349	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)Nc2ccon2)c1	183554077	PVDXUZXTSHMBRB-UHFFFAOYSA-N	304.306	1.523	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1cnc(C2CC2)nc1	184924961	OPLPASNZEZPLTB-UHFFFAOYSA-N	300.322	1.159	50	20	DDGD	
CC[C@@H](CCO)CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	129200191	SDWRDWNQBIIDSC-FEZXJWFHSA-N	314.389	1.637	50	20	DDGD	
COCCn1ccc(NC(=O)NNC(=O)CC2CCCC2)n1	184745804	XLWJQJWAINQLLQ-UHFFFAOYSA-N	309.370	1.263	50	20	DDGD	
COc1cccc(NNC(=O)Nc2ccn(CCC#N)n2)n1	184031483	CZIZIKHMBCUAJX-UHFFFAOYSA-N	301.310	1.349	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)CC[C@H]2CCCO2)c1	75540932	NUJYBIQUPQLZDM-CQSZACIVSA-N	320.389	1.789	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)n1	181456336	DJTGBNIJWVVYSJ-IJLUTSLNSA-N	306.366	1.674	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccn(-c2ccccc2Cl)n1	129289817	RBABJLBAOVYKFW-UHFFFAOYSA-N	309.713	1.918	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cccc(CC(F)(F)F)c1	186259357	OXUPEVCRGWNFFT-UHFFFAOYSA-N	319.283	1.981	50	20	DDGD	
C=C[C@@](C)(CCOC)C(=O)NNC(=O)COc1ccc(C)cc1	189553336	RARBSNLCKAXLOB-KRWDZBQOSA-N	320.389	1.750	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(C#N)c(C)n2)c(O)c1	80388246	GPDQNGOSTAELDA-UHFFFAOYSA-N	310.313	1.351	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCCC(C)(C)CO)cc1	86405538	AHWXLGUNVKTCSA-UHFFFAOYSA-N	321.421	1.992	50	20	DDGD	
CC(C)C[C@@H](C(=O)NNc1cccnn1)N1CCCCC1=O	88381269	DTPBJYOMPPEVBK-LBPRGKRZSA-N	305.382	1.347	50	20	DDGD	
CCc1noc2ncc(C(=O)NNc3nccnc3OC)cc12	131867469	GYAVWPWSUVGYNY-UHFFFAOYSA-N	314.305	1.341	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)Cc2ccncc2)ccc1C	194257466	HFLBLOXHNOHVLG-UHFFFAOYSA-N	311.341	1.596	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc(C)c(C)o2)cc1OC	131020078	RNUWMCFBYORYGG-UHFFFAOYSA-N	318.329	1.988	50	20	DDGD	
Cc1cc(C)c(NNC(=O)C(=O)Nc2ccn(C)n2)c(C)c1	132216296	XYGMEIGDMDEJPS-UHFFFAOYSA-N	301.350	1.427	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCOc1cccc(C)c1C	42785716	UZHXNUFABBMPOF-UHFFFAOYSA-N	307.419	1.754	50	20	DDGD	
CCC[C@@H](NC(=O)NNC(=O)C(=O)NC1CC1)c1ccccc1	43712910	HSGXBPGQWUIDLP-CYBMUJFWSA-N	318.377	1.137	50	20	DDGD	
COC[C@@H](CNS(=O)(=O)c1ccc(CCl)cc1)OC	234735901	SWDDRODGQPOQJG-LLVKDONJSA-N	307.799	1.365	50	20	DDGD	
O=C(C[C@@H](O)c1cccc(F)c1)NNC(=O)NCc1ccco1	91230075	NSHUYJJWWQBUPT-CYBMUJFWSA-N	321.308	1.373	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)CCOc1ccc(F)cc1	266049750	RKJKSHARXSOZQB-JTQLQIEISA-N	318.370	1.201	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCS[C@H](C)[C@@H]1C	265546114	SCKUWRNQHCUFSL-WDEREUQCSA-N	323.418	1.875	50	20	DDGD	
CC(C)C[C@@H](C)NC(=O)NNC(=O)COc1ccccc1F	269798371	IODOEWRTSCSDKN-LLVKDONJSA-N	311.357	1.970	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)CCc2ccccc2O)CCCOC1	272725611	YPUMGTVDNYRJPP-INIZCTEOSA-N	306.362	1.289	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2ccccn2)[C@]12CCCO2	368173855	NPANFSLECMRLDC-LALPHHSUSA-N	306.366	1.434	50	20	DDGD	
CC1(C)C[C@@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)C(=O)O1	273233613	PMVLMTKIRKBIHK-LWMSPQMPSA-N	302.305	1.943	50	20	DDGD	
O=C(CCOCC(F)(F)C(F)F)NNC(=O)c1ccncc1	276705529	PURBPUCVKBULKB-UHFFFAOYSA-N	323.246	1.150	50	20	DDGD	
CC(C)[C@H]1C[C@H](CC(=O)NNc2nccn(C)c2=O)CCO1	272820829	FFBIJDIHKQVKDX-VXGBXAGGSA-N	308.382	1.065	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CC(C)(C)C)nnn1CC1CCCC1	278877129	DCMAXMQFMUERGJ-UHFFFAOYSA-N	321.425	1.974	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C[C@@](C)(O)C2CC2)c(C)c1	270473543	SGFUVQFGNASUPH-QGZVFWFLSA-N	319.405	1.414	50	20	DDGD	
CC(C)=CCCNC(=O)NNC(=O)COc1ccc(C#N)cc1	276831723	NZMVUVIZNGPJGO-UHFFFAOYSA-N	316.361	1.624	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NNc1cc(F)c(F)c(F)c1	273152101	ZCWOGCPSYSLTQA-VIFPVBQESA-N	317.311	1.515	50	20	DDGD	
C[C@@H]1C[C@@H](CCNC(=O)NNC(=O)c2ccccc2F)CCO1	273141449	VRRBKRKJWKXLIA-NEPJUHHUSA-N	323.368	1.975	50	20	DDGD	
CCOC(CCNC(=O)NNc1nc(C)cc(C)n1)OCC	276387274	QYGOUTJYZRMAGB-UHFFFAOYSA-N	311.386	1.509	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc2c(c1)OC(C)(C)O2	274472584	YRIHNYILIUIABS-UHFFFAOYSA-N	308.338	1.892	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H](C)c1cccs1	278737042	VQDVZIQOVQMKGV-SNVBAGLBSA-N	314.407	1.788	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccc(Br)s1	276335721	ZAOQLOVMRQCPKB-UHFFFAOYSA-N	307.169	1.043	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1nc(-c2cccc(F)c2)no1	373200801	ACTFELJGIIMBPT-DHZHZOJOSA-N	316.292	1.936	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCC2(CCO2)CC1	374496903	QDMKFRZQRVPBEJ-UHFFFAOYSA-N	319.361	1.305	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)C1(c2cccnc2)CCCC1	377403677	OCRCUQCOGREJRA-UHFFFAOYSA-N	324.384	1.679	50	20	DDGD	
CSSCCNC(=O)N1CCCN(C(=O)C(C)C)CC1	375109830	CHSAWMJKBUFZDZ-UHFFFAOYSA-N	319.496	1.898	50	20	DDGD	
CS[C@H]1CCCCN(S(=O)(=O)CBr)C1	374678630	LZXGJIJOYGYFDF-QMMMGPOBSA-N	302.259	1.886	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)C[C@@H]1CCS(=O)(=O)C1	281774701	MOZGNIVSEGHIKR-LBPRGKRZSA-N	310.419	1.825	50	20	DDGD	
CC(C)NC(=O)NC1(C(=O)NNc2cnccn2)CCCCC1	280220773	GSSWTHWKBJABRR-UHFFFAOYSA-N	320.397	1.330	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C1=C(C)OCCS1	287301984	SZJNVTJINGYHNA-UHFFFAOYSA-N	322.386	1.380	50	20	DDGD	
CCOC1(CNC(=O)NNC(=O)c2ccc(C)o2)CCCC1	297779557	NNZRCQQKXMJVCW-UHFFFAOYSA-N	309.366	1.881	50	20	DDGD	
CC(C)Oc1ncccc1NC(=O)NNC(=O)[C@@H]1CCCCO1	296489805	BCJXZYCUBPJTGH-LBPRGKRZSA-N	322.365	1.591	50	20	DDGD	
C[C@@H]1CSC[C@@H]1NC(=O)NNc1ccc(-n2cccn2)nn1	807476015	VOAMKGCPYNSQBT-ZJUUUORDSA-N	319.394	1.040	50	20	DDGD	
COCCN(C)NC(=O)c1nc(-c2cccc(OC)c2)[nH]c1C	294353422	KNXPYOXMMUTIOU-UHFFFAOYSA-N	318.377	1.617	50	20	DDGD	
CCOC(=O)CCCNC(=O)NNc1cncc(Cl)n1	298703065	XBMVDFMDAUBUQQ-UHFFFAOYSA-N	301.734	1.099	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1[N+](=O)[O-])[C@@]1(O)CCSC1	297080991	XMYYLMJPEFGQHN-LLVKDONJSA-N	317.754	1.559	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCC2CCCC2)cc1	298695814	SPJUJRGSVCTKSP-UHFFFAOYSA-N	305.378	1.894	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1nc(-c2cc(C)oc2C)cs1	806972649	FCZVXODVUKEYHB-UHFFFAOYSA-N	322.346	1.126	50	20	DDGD	
Cc1nc2cc(C(=O)NNC(=O)[C@H]3CCCCO3)ccc2o1	295379749	KOIIUWWRLCSLGD-CYBMUJFWSA-N	303.318	1.466	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802097226	PSHLCMNYEPZWST-UHFFFAOYSA-N	323.349	1.631	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F	292855519	CDALFPWBACHKQF-UHFFFAOYSA-N	320.227	1.530	50	20	DDGD	
C[C@@H](c1ccco1)N(C)CC(=O)NNC(=O)c1ccc(F)cc1	298108129	LVODOXJQQKQFTG-NSHDSACASA-N	319.336	1.873	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@@H]2[C@H]3CCC[C@H]32)cc1	802124088	CBRURUUWTMRFQY-WDNDVIMCSA-N	302.378	1.951	50	20	DDGD	
CSSCCNC(=O)c1ccc(S(N)(=O)=O)s1	803476430	GDWICHCEIKWBQR-UHFFFAOYSA-N	312.463	1.137	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1O)Nc1ccccc1	801985935	ONMPYAFPCZQBSL-UHFFFAOYSA-N	316.273	1.767	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ncn(C(C)(C)C)n2)n1	292078598	JCJYGBIRZXXELE-UHFFFAOYSA-N	309.761	1.542	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)NCCn1ccnc1	298323653	RMJYJEWIRAANNW-UHFFFAOYSA-N	323.788	1.776	50	20	DDGD	
O=C(NNc1ncccc1Cl)c1cncc(-n2ccnn2)c1	802540971	DINUREHFPPWTKH-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
CCCC1(C(=O)NNC(=O)C(C)(OCC)OCC)CCC1	807368660	IWESUYKBPDZHHC-UHFFFAOYSA-N	300.399	1.893	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)C(=O)c1ccc(O)cc1	807194978	QPBOIMGASQSRPA-UHFFFAOYSA-N	314.297	1.505	50	20	DDGD	
Cc1cccnc1NNC(=O)NCc1ncnn1C(C)(C)C	800032358	ZFAIUURJGVFLIN-UHFFFAOYSA-N	303.370	1.563	50	20	DDGD	
CN(C)c1ccccc1NC(=O)C(=O)NNc1cccc(F)n1	807390994	DHLGFBNNHGPLCV-UHFFFAOYSA-N	317.324	1.369	50	20	DDGD	
Cc1c(C=NNC(=O)C(=O)N2CCCC2)n(C)c2ccccc12	814824470	WZZZKYRTLNHUNW-UHFFFAOYSA-N	312.373	1.559	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCC1(CC(N)=O)CC1	817623217	DPZMABAKHUSBKW-VIFPVBQESA-N	305.216	1.568	50	20	DDGD	
COc1ccc(-n2cc(O)c(C(=O)NN(C)C3CC3)n2)cc1	819648945	YPGYBMSLMKWPHE-UHFFFAOYSA-N	302.334	1.326	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNC(=S)Nc1cccc(C)c1C	810021236	AILUSDYEZGUZSU-OAHLLOKOSA-N	307.419	1.948	50	20	DDGD	
CO[C@](C)(C=NNC(=O)CNC(=O)c1cccs1)C1CC1	814827150	WRFJNFMROXBJGT-CQSZACIVSA-N	309.391	1.395	50	20	DDGD	
C[C@@H](NC(=O)CCc1ccccc1)C(=O)NNC(=O)CC1CC1	819123168	RWEIQRSWZQOXPR-GFCCVEGCSA-N	317.389	1.071	50	20	DDGD	
C#CCOc1ccccc1C=NNC(=O)COc1ccccc1O	814951754	UCSDNPDLKLCJER-UHFFFAOYSA-N	324.336	1.933	50	20	DDGD	
COc1ccc(CCC(=O)NN=C2CCN(CCO)CC2)cc1	819806693	XSJCLAGQXDAUCJ-UHFFFAOYSA-N	319.405	1.188	50	20	DDGD	
CCc1ccc(C#CC(=O)NNc2nc(C)cc(OC)n2)cc1	815739899	OXRXFACCDQWWJR-UHFFFAOYSA-N	310.357	1.851	50	20	DDGD	
CCOc1cccc2c1OCC(C(=O)NNC(=O)CC1CC1)=C2	819123396	XSKQSUWOICZZTK-UHFFFAOYSA-N	316.357	1.809	50	20	DDGD	
COC(=O)Cc1ccc(NC(=O)NNC(=O)CC2CC2)cc1F	817321101	DDVSYCFKMOIKFW-UHFFFAOYSA-N	323.324	1.494	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1Cl)C(=O)NNc1cnnn1C	816770984	UALSQWWWRIKHKI-ZETCQYMHSA-N	313.720	1.518	50	20	DDGD	
O=C(NNc1ncc(F)cn1)C1(c2cccnc2)CCCC1	813500156	LKZGZKSCTYNPPE-UHFFFAOYSA-N	301.325	1.966	50	20	DDGD	
COc1cc(OC)c2cc(C(=O)NN(C)C3CC3)[nH]c2c1OC	819647896	SYTFGQNGCGRLPU-UHFFFAOYSA-N	319.361	1.933	50	20	DDGD	
CN(NC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)C1CC1	819647834	TVEBPJRHOANNAD-AWEZNQCLSA-N	301.390	1.664	50	20	DDGD	
O=C(NNC(=S)NC1CCC1)c1cc(-c2cccs2)[nH]n1	814200426	VPCKAAHVQUXEBI-UHFFFAOYSA-N	321.431	1.800	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)c2ccc(OC)c(OC)c2)C1	819801924	VIBSOTMBLHNCNU-UHFFFAOYSA-N	320.345	1.763	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNCC(F)(F)C(F)(F)F)C(C)C	825010434	VUDBFLVCKYFVKG-ZETCQYMHSA-N	320.258	1.640	50	20	DDGD	
CC1(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CCOCC1	726751898	VGFNAPMQMKEQNO-UHFFFAOYSA-N	320.345	1.036	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCCCCS(C)(=O)=O	824739310	NTNWZBMHFUIYBQ-UHFFFAOYSA-N	317.386	1.585	50	20	DDGD	
CCCNC(=O)Nc1ccc(CC(=O)NN(CC)CCO)cc1	823855686	BTRDKFDIAFCBJN-UHFFFAOYSA-N	322.409	1.106	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=C(C)c1ccc[nH]1	497142696	GNEXIDSMTORLID-CYBMUJFWSA-N	318.377	1.772	50	20	DDGD	
C[C@@H]1Cc2cc(S(=O)(=O)NNC(=O)C3CCCC3)ccc2O1	729964167	XFFUZWXSQNTDAP-SNVBAGLBSA-N	324.402	1.510	50	20	DDGD	
C[C@H](CNS(=O)(=O)c1ccc(CCCl)cc1)C(=O)O	827508010	SKEZNUPAABQSBE-SECBINFHSA-N	305.783	1.467	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1nnc(-c2ccccc2)s1	726871569	WSFXDCBGJDCLLG-UHFFFAOYSA-N	303.347	1.768	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC(C)(C)OC(C)(C)C1	827275034	RNJGHACHBDVPEZ-WDEREUQCSA-N	313.398	1.042	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNc1ccccc1S(C)(=O)=O	907045124	OBWCHPSUHPLBLS-FZMZJTMJSA-N	324.402	1.514	50	20	DDGD	
C[C@H](Oc1cccc2ccccc12)C(=O)NN(C)[C@@H](C)CO	823929142	VJJFXVKDTYJMDG-STQMWFEESA-N	302.374	1.951	50	20	DDGD	
CC[C@@H](CC(C)C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C	496961714	KSBOWMUBVYXWOK-NSHDSACASA-N	315.414	1.731	50	20	DDGD	
CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)NNC(=O)N(C)C	493942971	XPOFHYYQYVUOEH-CQSZACIVSA-N	316.402	1.230	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)COc1ccccc1F)C(F)(F)F	822575452	PYWKCJBUCYLRPM-ZETCQYMHSA-N	323.246	1.486	50	20	DDGD	
Cc1ncc(CN(C)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)s1	827315945	WPDAEQYTWHGCNC-LDYMZIIASA-N	312.395	1.049	50	20	DDGD	
CC(C)Cn1ncc2cc(C(=O)NN(C)[C@H](C)CO)cnc21	823964682	DDVLEBBFHKFHJP-LLVKDONJSA-N	305.382	1.045	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccn2C)c(Cl)c1	730998876	JYVBBCGJWICAQR-UHFFFAOYSA-N	307.737	1.762	50	20	DDGD	
Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCB(O)O)c2c1	585059838	COTJKAOUVJHYQF-UHFFFAOYSA-N	321.145	1.347	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)Nc1ccc(-c2nn[nH]n2)cc1	735796413	BNWMZYRUGXMDLF-UHFFFAOYSA-N	317.353	1.456	50	20	DDGD	
C[C@@H](C[C@@H](C)N)NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	831197408	NLRVMPJJUAKECW-STDFNBFFSA-N	322.453	1.659	50	20	DDGD	
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)C1CC1	493962785	FXDJKKMIDFXMDX-NSHDSACASA-N	313.398	1.483	50	20	DDGD	
C[C@@H](CNC(=O)/C(C#N)=C\c1cnn(C)c1)CN1CCCCC1	491157945	BKYCOFVWWCCOBS-XTIFCCNPSA-N	315.421	1.565	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1CC[C@H](C2CCCC2)C1	585001619	ZGWUIPJDHZMSMB-LBPRGKRZSA-N	305.158	1.158	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CC[C@H](n2cccn2)C1	491053230	XVGNHSMBYKPHFQ-LTBFUDJGSA-N	308.341	1.969	50	20	DDGD	
Cc1cc(CCCC(=O)NNC(=O)c2ncon2)c(C)s1	832825584	AGTSTMUJWQGAIN-UHFFFAOYSA-N	308.363	1.532	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](CC)c1ccccc1OCC	731282292	KHEMGDZIJKKJHV-ZDUSSCGKSA-N	323.393	1.903	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)CCC(N)=O	907095161	VNUOGMFYIQQHHU-UHFFFAOYSA-N	300.156	1.466	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@]2(C)CCCCO2)cc1	839482536	FGMRTSKLBISVAW-INIZCTEOSA-N	321.377	1.214	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNc1ccccc1C(=O)OC	839717162	BBFYZJSMNWBNDE-JTQLQIEISA-N	308.334	1.506	50	20	DDGD	
Cc1ccc(F)c2c1C(=NNC(=O)c1c[nH]nc1C)C(=O)N2	735411769	UHMTYCYJHUYKOI-UHFFFAOYSA-N	301.281	1.252	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)Sc1nccn1C1CC1	734981457	DLMLZQNVTLYMFX-JTQLQIEISA-N	310.423	1.892	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)C(=O)NNC(=O)c1ccc(Cl)nc1	837349711	KWLBZZUNRMHVFS-VIFPVBQESA-N	321.768	1.108	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(OCC(=O)O)cc2)cc1	832413218	KNDXBHMNDRWJBR-UHFFFAOYSA-N	316.313	1.916	50	20	DDGD	
CCCN(CC(=O)NNC(=O)c1ccc(C#N)cc1)CC(F)F	839481032	WBBPHHQESLRCMV-UHFFFAOYSA-N	324.331	1.296	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNC(=O)Nc2ccc(OC)cc2)C1	838749291	JEOJGFUACXTHCE-BJHJDKERSA-N	322.365	1.598	50	20	DDGD	
CCS(=O)(=O)c1ccc(C(=O)NNc2cnccn2)cc1	734244978	CXIWVYGZPPAHNR-UHFFFAOYSA-N	306.347	1.027	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)[C@H]1CCc2nncn2C1	836936774	QVBSPHFNAJDOAL-JTQLQIEISA-N	305.769	1.946	50	20	DDGD	
CC(=NNC(=O)c1cccc(S(C)(=O)=O)c1)c1cnccn1	734745995	MOKYDUBDUYRGDQ-UHFFFAOYSA-N	318.358	1.034	50	20	DDGD	
CCc1ccc(CC(=O)NNC(=S)NCCSC)nc1	831575217	BJNNWYNMTBLMMQ-UHFFFAOYSA-N	312.464	1.045	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1cc(Cl)cc([N+](=O)[O-])c1O	735411986	FYNYHOKBEYDRPA-UHFFFAOYSA-N	323.696	1.749	50	20	DDGD	
CCO[C@@H]1C[C@@H](NS(=O)(=O)CCl)[C@@H]1Oc1ccccc1	831139754	FMYFSYHBTOYFKR-UPJWGTAASA-N	319.810	1.727	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NN=C2CCOC3(CCC3)C2)c1	834965813	WHMIPVJOKRVRIC-UHFFFAOYSA-N	316.361	1.859	50	20	DDGD	
CC(C)(C)[C@H](NC(N)=O)C(=O)NNc1nc2ccccc2[nH]1	839715245	BTCLSPAKUMLUAL-SNVBAGLBSA-N	304.354	1.089	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc(OCC2CC2)cc1	833251351	WDQXYRSQEFCTQM-OAHLLOKOSA-N	318.373	1.806	50	20	DDGD	
CN(CC(=O)NNc1ccc(C(=O)O)cn1)C(=O)OC(C)(C)C	833691405	FDNYSJNSJNRDGA-UHFFFAOYSA-N	324.337	1.090	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)[C@H]1CCCCO1)c1cccc(C#N)c1	836333012	BVVUFOVASLKWOA-BXUZGUMPSA-N	316.361	1.519	50	20	DDGD	
CC(=O)Nc1ccc(C=NNC(=O)NCC(F)(F)F)cc1	917550770	AAKOWAYAMBSBQO-UHFFFAOYSA-N	302.256	1.840	50	20	DDGD	
CC[C@H](COCC(F)(F)F)NC(=O)NNC(=O)C(C)(C)C	836292956	YGKHVELRNMDALJ-MRVPVSSYSA-N	313.320	1.720	50	20	DDGD	
O=C(NCCCOC[C@H]1CCOC1)NNC(=O)c1ccccc1	740904113	RIZYANDEGXDXBX-CYBMUJFWSA-N	321.377	1.074	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)Cc2cccnc2)C[C@@H](C)S1	743588497	APCAAZFWUAUWQA-PHIMTYICSA-N	308.407	1.191	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@@H]2CCCN2C)cc1	748556475	WXZODYNNGAHGMO-ZDUSSCGKSA-N	322.434	1.497	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)Cc2cccnc2)C[C@H](C)S1	743588498	APCAAZFWUAUWQA-QWRGUYRKSA-N	308.407	1.191	50	20	DDGD	
CN(C)c1nccc(NNC(=O)CCOCc2ccccc2)n1	740114406	WIHWKQNBYUXGON-UHFFFAOYSA-N	315.377	1.593	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)CCOc1ccccc1	747059376	OBJIMZRUDMVOPY-UHFFFAOYSA-N	300.362	1.956	50	20	DDGD	
CC1(NC(=S)NNC(=O)COc2ccc(C#N)cc2)CCC1	840702667	HHQPRPWIAXASMJ-UHFFFAOYSA-N	318.402	1.375	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c2c(C)noc2n1	843645074	QIPOPDVQQVVQGQ-UWVGGRQHSA-N	318.333	1.026	50	20	DDGD	
O=C(Cc1ccc(F)cc1[N+](=O)[O-])NNC(=O)NCC1CC1	845299690	MLBWUKZUEYPNQY-UHFFFAOYSA-N	310.285	1.017	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1c(F)cc(F)cc1F	843651431	MSDZPECYFPPEDA-SVRRBLITSA-N	302.252	1.290	50	20	DDGD	
CCOC(=O)C1(CNC(=O)NNc2nc(C)cc(C)n2)CCC1	741091771	ZXLGCMVWCDPLAP-UHFFFAOYSA-N	321.381	1.453	50	20	DDGD	
C/C(=C/c1ccc(Br)o1)C(=O)NN(C)C[C@@H](C)O	910181984	GBCAKQTTWRTFJN-JGAIRUGNSA-N	317.183	1.789	50	20	DDGD	
NNC(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1	916665634	UFVJATSIIKFNTP-CQSZACIVSA-N	314.345	1.568	50	20	DDGD	
Cc1cccc2c(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)coc12	843660608	LSRFAUOQKWDNIU-MNOVXSKESA-N	302.330	1.927	50	20	DDGD	
Cc1cc(NNC(=O)C[C@H](C)NC(=O)OC(C)(C)C)ncn1	743414524	VAJRTNQPMLEWMU-JTQLQIEISA-N	309.370	1.531	50	20	DDGD	
CC(C)Cn1nccc1C=NNC(=O)COc1ccccc1O	842533349	LFHPCVYBALDMNB-UHFFFAOYSA-N	316.361	1.774	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)COC[C@H]2CCCO2)n1	747983258	LJVGJNUPUHPZPA-SECBINFHSA-N	300.746	1.077	50	20	DDGD	
CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H](C)c1ccccc1	746369166	NQQQHBGCACLZNJ-SMDDNHRTSA-N	323.418	1.652	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H](C)C(F)(F)F	742476548	ANOFNMMCWCYMFB-HTQZYQBOSA-N	322.258	1.939	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H]1CCCCO1)c1ccccc1	840777407	ZTRWKGRJQNNYCM-WCQYABFASA-N	307.419	1.812	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=S)NCC(C)C	916120019	NTBNQGDTGZZPPG-UHFFFAOYSA-N	309.435	1.779	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1c[nH]ccc1=Nc1ccccc1	911443921	BLEAFKMDBCVILU-LBPRGKRZSA-N	300.362	1.205	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CSc1nc(-c2ccccc2)no1	910152842	VJRIZZNCFZOYQR-SNVBAGLBSA-N	322.390	1.173	50	20	DDGD	
C[C@H](C(=O)NNC(=O)COc1ccccc1O)c1ccco1	741688479	HSKDMDUFUOMSPP-JTQLQIEISA-N	304.302	1.315	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2c(c1)CCCC2	843640298	BOTYYRASQCNWNT-IAQYHMDHSA-N	302.374	1.751	50	20	DDGD	
CN(C)c1nccc(NNC(=O)Nc2cccc([N+](=O)[O-])c2)n1	740015909	DONDKQWWWNWRLR-UHFFFAOYSA-N	317.309	1.599	50	20	DDGD	
C[C@@H](COCC1CC1)NC(=O)NNC(=O)c1ccccc1O	845574783	CKYRPRTUSJWPAC-JTQLQIEISA-N	307.350	1.151	50	20	DDGD	
CC(=O)NN=Cc1ccc(OCC(=O)O)c(Br)c1	743420329	DBADSGVYBMYIDQ-UHFFFAOYSA-N	315.123	1.383	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(NC(C)=O)cc2)n1	746630444	JLJRPDKWTNHFJE-UHFFFAOYSA-N	315.333	1.509	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(O[C@@H](C)C#N)cc1	748260458	UANYGZPBUUBOLJ-QWHCGFSZSA-N	319.361	1.479	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Cc1ccc(F)cc1[N+](=O)[O-]	845074613	UNXVBEQIFRQAEY-UHFFFAOYSA-N	313.285	1.832	50	20	DDGD	
CC(C)OCc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	843647180	NLMDOWBBXILEAC-WFASDCNBSA-N	320.389	1.798	50	20	DDGD	
CC1(NC(=S)NNC(=O)NCCc2cccs2)CCC1	840720211	NNGWNTZOHAOSKF-UHFFFAOYSA-N	312.464	1.912	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1[N+](=O)[O-]	843649962	YCCYEZRDTAVDRZ-KOLCDFICSA-N	307.306	1.089	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(F)c(F)c(F)c1	843643742	AGGGBSJJSSASHZ-SVRRBLITSA-N	302.252	1.290	50	20	DDGD	
CNc1cc(Cl)ccc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	848233833	BOQFGZOVCZKCMS-SCZZXKLOSA-N	311.769	1.568	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2cc(F)c(F)c(F)c2)CCN1	841989229	ZDDLPSDHIWYCHR-JGVFFNPUSA-N	302.300	1.871	50	20	DDGD	
O=C(NNc1cccc2c1CCCC2)C1CCS(=O)(=O)CC1	748574379	ZIQJZRUDJHNORG-UHFFFAOYSA-N	322.430	1.833	50	20	DDGD	
NNC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1	841802903	NTKYOAFPRBNVQM-NSHDSACASA-N	300.765	1.616	50	20	DDGD	
CCc1cccc2c1NC(=O)C2=NNC(=O)[C@@H]1CCO[C@H]1C	842555488	LSXRDXDHLRGQGI-GXSJLCMTSA-N	301.346	1.446	50	20	DDGD	
Cc1cc2c(cc1NC(=O)NNC(=O)c1ccccn1)OCO2	757979304	QQIGTCMAKNUJEF-UHFFFAOYSA-N	314.301	1.585	50	20	DDGD	
CCCCn1ncc(NC(=O)NNC(=O)Cc2cc[nH]n2)c1C	757749385	JXJTZEDWYNHGJA-UHFFFAOYSA-N	319.369	1.110	50	20	DDGD	
COC(=O)N1CCC(C(=O)NNc2ncc(F)cc2F)CC1	854898454	WUJZQKXWKGJLEF-UHFFFAOYSA-N	314.292	1.281	50	20	DDGD	
Cc1nnc(CC(=O)NNC(=S)Nc2cccc(C)c2C)o1	854186126	DUVFNLYAWGZVEG-UHFFFAOYSA-N	319.390	1.555	50	20	DDGD	
NC(=O)[C@H]1CC[C@H]1C(=O)NNc1ncccc1C(F)(F)F	857132535	JGQBLKOKAOSTOZ-NKWVEPMBSA-N	302.256	1.055	50	20	DDGD	
N#CSCCCNC(=O)c1ccc(Cn2cncn2)cc1	854363296	ULMGQRTVRPKVRD-UHFFFAOYSA-N	301.375	1.661	50	20	DDGD	
CCn1cc([C@@H](C)NC(=O)NNC(=O)c2cccc(F)n2)cn1	852374249	SWWSCWIGPXRURQ-SECBINFHSA-N	320.328	1.142	50	20	DDGD	
CC[C@H](C)CCNC(=O)NNC(=O)[C@H]1COc2ccccc2O1	852492532	SPEITPYLXSRKBP-SMDDNHRTSA-N	321.377	1.593	50	20	DDGD	
CC1(C)C[C@@]1(C(=O)O)C(=O)NNc1c(F)c(F)nc(F)c1F	852950673	LAPSURWNZVHMEH-LBPRGKRZSA-N	321.230	1.582	50	20	DDGD	
Cc1ccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)c(O)c1C	855099026	PYICRUWKXGYWHP-JTQLQIEISA-N	307.419	1.916	50	20	DDGD	
C[C@@H](COCC1CCCCC1)NC(=O)c1cccc(B(O)O)c1	928703267	WSFBYQDESITOFP-ZDUSSCGKSA-N	319.210	1.082	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)Cc1cscn1	856724940	YHBMSDHKALIJPT-UHFFFAOYSA-N	319.386	1.474	50	20	DDGD	
Cn1ccnc(NNC(=O)c2c(F)c(F)cc(F)c2F)c1=O	755831130	DUZYWVVHTFXVAE-UHFFFAOYSA-N	316.214	1.094	50	20	DDGD	
CNC(=O)NC(=O)CN1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	852522255	HOTSWAXNYZCRGP-NSHDSACASA-N	315.490	1.538	50	20	DDGD	
CCO[C@H](C)c1ncc(C(=O)NNC(=O)c2cc[nH]n2)s1	855358234	CJXAODMYHYQMNH-SSDOTTSWSA-N	309.351	1.039	50	20	DDGD	
CO[C@@H]1COCC[C@@H]1CNC(=O)NNc1ccc(Cl)cn1	852369800	HODABIPBTKOHPP-MWLCHTKSSA-N	314.773	1.413	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)c1cc(Cl)ccn1	920089322	ZVEQKTCAJPRKKZ-UHFFFAOYSA-N	323.711	1.714	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)NC(=O)C2CCCCC2)o1	752525294	YCAUUJNGKZATSZ-LLVKDONJSA-N	321.377	1.434	50	20	DDGD	
COCCCC(C)=NNC(=O)COc1ccccc1[N+](=O)[O-]	759184324	ABZPMBGDBMKOFL-UHFFFAOYSA-N	309.322	1.892	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@@]1(C)COc2ccccc2O1	858165955	ULXFAQXYMAUFJH-MRXNPFEDSA-N	315.329	1.016	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C2(C#N)CC(C)C2)c(C)c1	758344985	SUFPXGCUJUQRMT-UHFFFAOYSA-N	314.389	1.803	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2c[nH]c3ccccc23)nn1C	757756477	RMBQPAJPVPICON-UHFFFAOYSA-N	312.333	1.676	50	20	DDGD	
CCc1cc(C(=O)NNC(=S)NCC2CCC2)c(C)nn1	759379320	PEBFCDSNUZMWAR-UHFFFAOYSA-N	307.423	1.256	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@H](C)Sc1nncn1C	855366935	JSSORQGYFURGBZ-VIFPVBQESA-N	309.370	1.887	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cccc2[nH]ccc12	755737872	BXXUEPPIIWMTCR-UHFFFAOYSA-N	300.362	1.923	50	20	DDGD	
CC[C@H](C)c1ccc(C(=O)NNC(=O)CS(C)(=O)=O)cc1	863461979	AUBUCZSHMVAGGU-JTQLQIEISA-N	312.391	1.006	50	20	DDGD	
COC(=O)CC1(CS(=O)(=O)NCC(Cl)Cl)CC1	867470469	ONBWOTAQUOCBCC-UHFFFAOYSA-N	304.195	1.053	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NN[C@H](C)C(F)(F)F)nc1	862320007	DALMQVPRNJLGSU-SSDOTTSWSA-N	305.256	1.444	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCC(=O)C2CCCC2)cc(C#N)n1C	863061673	WEFAHUFFMFJQKZ-CHHVJCJISA-N	324.384	1.988	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)NN[C@H](C)C(F)(F)F)C2	862322464	JEPNQILAQFQOJT-RGOKHQFPSA-N	321.299	1.201	50	20	DDGD	
CC(=O)NNC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1	763902074	SYQJWNFXKDINSC-UHFFFAOYSA-N	314.223	1.536	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cncc(OC(C)C)c2)n1	765754289	PTJLGKNHNMMPNK-UHFFFAOYSA-N	317.349	1.733	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C2CCOCC2)cc(Cl)n1	934200048	AERYYYHYAYTSPQ-UHFFFAOYSA-N	312.757	1.623	50	20	DDGD	
CCN1CCN(CCC(=O)NNc2nc3ccccc3[nH]2)CC1	768496384	RGHWEFWAOIPBMG-UHFFFAOYSA-N	316.409	1.034	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)N2CCCC2)cc1C(=O)O	865213793	HZBWWUIAKIGAKF-WQLSENKSSA-N	300.314	1.923	50	20	DDGD	
C[C@H](C(=O)NNc1ccncn1)n1ccc(C(F)(F)F)n1	868645788	FFBWMLFHWMMLSQ-SSDOTTSWSA-N	300.244	1.396	50	20	DDGD	
COCCOCC(=O)NNC(=O)Cc1ccc(C)cc1Cl	869908858	ZPGUFRDTUIBVBD-UHFFFAOYSA-N	314.769	1.001	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1ccc(F)c(C(=O)O)c1	863178628	YUCSKJMTPZOWMG-YRNVUSSQSA-N	306.293	1.584	50	20	DDGD	
C[C@H](NNC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)C(F)(F)F	862306558	BPQPDMAHLJKXRE-UWVGGRQHSA-N	321.343	1.739	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2	860190070	OJJCGBYWSYMCIP-MRHIQRDNSA-N	324.421	1.938	50	20	DDGD	
Cc1nc([C@H]2CCOC2)sc1C(=O)NNC(=O)NC1CC1	865014872	PTVYGRYFPIELTQ-QMMMGPOBSA-N	310.379	1.062	50	20	DDGD	
Cn1cc(C=NNC(=O)[C@H]2CCC(=O)N2)c(C2CCCCC2)n1	863147488	GYONJWSQOALIEC-CYBMUJFWSA-N	317.393	1.197	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NNC(=O)[C@@H](C)C#N)n[nH]1	768274433	SCFLVKKMTBECCK-VIFPVBQESA-N	313.317	1.006	50	20	DDGD	
O=C1NCCC[C@@H]1C(=O)NNc1cc(C(F)(F)F)ccc1F	866946181	OORLSSMMGBSHHK-QMMMGPOBSA-N	319.258	1.814	50	20	DDGD	
COc1ccccc1SCC(=O)NN=C1CN(C)C[C@@H]1C	761275000	YITCPXLVDPQNBS-NSHDSACASA-N	307.419	1.841	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CN(C)C2CCC2)c(C)c1	863855117	NRIYDTHTTYMOJQ-UHFFFAOYSA-N	318.421	1.347	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](Br)C(C)(C)C)n[nH]1	768362011	SLOZRTCTBVLFOQ-MRVPVSSYSA-N	317.187	1.289	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cccc(-c2cccs2)c1	763428970	AOQVIKFKDGRXKF-UHFFFAOYSA-N	317.370	1.911	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@](C)(NC(C)=O)C(C)C)cc1	1119668087	RGRIPFUMOHJLNG-MRXNPFEDSA-N	321.377	1.007	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H]2CC23CCS(=O)(=O)CC3)n1	1118942871	ILQDMVBIAPNITO-LLVKDONJSA-N	309.391	1.048	50	20	DDGD	
COC(=O)Cn1cccc1C=NNC(=O)Cc1nc(C)cs1	776186400	YJQIOMUBOZIMEI-UHFFFAOYSA-N	320.374	1.119	50	20	DDGD	
CC[C@@H](C)C(=O)NN=Cc1ccc(N2CCN(C)CC2)cc1	771564119	RGIQUWUSIASXIB-CQSZACIVSA-N	302.422	1.935	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H]1CCc2cc(OC)ccc2C1	879365362	CBLPKEUHGXXWMQ-ZDUSSCGKSA-N	305.378	1.493	50	20	DDGD	
Cc1ncc2n1C[C@H](C(=O)NNc1nc3ccccc3[nH]1)CC2	870210550	RAGMYDZTYJEQFD-LLVKDONJSA-N	310.361	1.774	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccc(OCC2CC2)nc1	875186678	NZPJIQWVSZWLRX-UHFFFAOYSA-N	308.338	1.283	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@H]2C[C@H](OC)C2)c(F)c1	875903439	IYARORCTOHCHKO-MGCOHNPYSA-N	311.313	1.416	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNC(=S)Nc1ccccn1	874956549	HKCONSNAHWRBCR-UHFFFAOYSA-N	323.422	1.096	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1ccc2nccnc2c1	770408511	OHJVXQYOJGYFIY-UHFFFAOYSA-N	300.709	1.830	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)c3ccc(Cl)cc3)nc21	770972440	RCVUTNFIEKCDBS-UHFFFAOYSA-N	318.724	1.479	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1cccc([N+](=O)[O-])c1C)[C@H]1CCCO1	776228087	OIKJVMXUHDVTRR-BXUZGUMPSA-N	318.333	1.710	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc[nH]2)nn1[C@H](C)C1CC1	777277671	CORPHXJSKFOLAH-SNVBAGLBSA-N	301.350	1.565	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCC(C)(C)OC)c1	876079738	LEESIHRNMBSOST-UHFFFAOYSA-N	309.366	1.914	50	20	DDGD	
CSCCNC(=S)NNC(=O)COC1CCCCC1	770245993	IXDWZBNXUUVTFJ-UHFFFAOYSA-N	305.469	1.194	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H](C)Oc1ccc(OC)cc1	875315915	CGIJEVSNVZKBQG-SNVBAGLBSA-N	311.338	1.375	50	20	DDGD	
CN(C)CCCCC(=O)NNc1cccc(S(C)(=O)=O)c1	776526419	NXPGNHIWXXQCNC-UHFFFAOYSA-N	313.423	1.265	50	20	DDGD	
CCOCC(=O)NN=C(C)c1ncc(Br)cc1F	777436966	KOAWQTMOHJGYFR-UHFFFAOYSA-N	318.146	1.860	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NNC(=O)CC(F)(F)F)C1(C)C	776065855	DJMUGGZBPDLBPD-NBEYISGCSA-N	311.304	1.329	50	20	DDGD	
CC(=NNC(=O)NC1CCCCC1)C1CCS(=O)(=O)CC1	777424168	SAXOKWQNDNRIPL-UHFFFAOYSA-N	315.439	1.819	50	20	DDGD	
O=C(NNc1ccccn1)c1cc2c(cc1[N+](=O)[O-])OCCO2	777472874	GERKZCSTDNXUNZ-UHFFFAOYSA-N	316.273	1.518	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@]2(C)CC(C)=NO2)c(F)c1	1120743664	VGTJUZZWUMRARH-AWEZNQCLSA-N	309.297	1.610	50	20	DDGD	
Cc1occc1C(=O)NCC(=O)OC[C@H](C)CBr	770353513	UCESMJNREDZREG-MRVPVSSYSA-N	318.167	1.892	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCC[C@@H](CF)C2)cc1	880235235	ZPVDYROOJAFEKY-ZDUSSCGKSA-N	307.369	1.438	50	20	DDGD	
CC(C)CN1CCC[C@@H]1C(=O)NNCC(F)(F)C(F)(F)F	1120679029	KJELCPGNVIZDLN-SECBINFHSA-N	317.302	1.925	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccccc1OCC(F)F	884405936	HVCHUTNOUNGCNE-UHFFFAOYSA-N	313.304	1.305	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H](CO)c1ccc(F)cc1F	882418147	AHPCHYPSCVZAKZ-NSHDSACASA-N	313.753	1.547	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1F)[C@H]1CC(=O)N(C2CC2)C1	885109940	JOGSZDZXDJEUNP-QMMMGPOBSA-N	311.744	1.933	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cnn(C)c1C(F)(F)F	782100260	NECOBAJTRAXDMM-ZCFIWIBFSA-N	307.276	1.638	50	20	DDGD	
CN(NC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1	787885091	QJQOVNATQXIPQN-LBPRGKRZSA-N	304.394	1.736	50	20	DDGD	
CC(C)[C@H]1C[C@H](CC(=O)NNC(=O)CC(F)(F)F)CCO1	781679675	KFNBOFKAHUXUMW-NXEZZACHSA-N	310.316	1.928	50	20	DDGD	
O=C1NCCc2ccc(CNS(=O)(=O)CCCCl)cc21	882063102	HSSAXTLAKUQOLH-UHFFFAOYSA-N	316.810	1.021	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1	780469924	KMPZKIMOXYFMRI-UHFFFAOYSA-N	324.340	1.645	50	20	DDGD	
COC1(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CCC1	781668563	JMJHBPFJDPYQFW-UHFFFAOYSA-N	314.345	1.202	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1ccc(NC(C)=O)cc1	781592912	NCGVFYKDVJQPGN-GFCCVEGCSA-N	321.377	1.537	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2cc(F)c(F)c(F)c2)C(=O)O1	896355159	VVFCFYLQUNBJFL-SSDLBLMSSA-N	303.240	1.434	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NN=CCC1CCOCC1	788699829	FDPYLSHNBOJOFQ-UHFFFAOYSA-N	300.362	1.955	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C[C@@H](NC(C)=O)c1cccs1	780711660	QYAWLFOIZKSSGZ-SNVBAGLBSA-N	312.395	1.008	50	20	DDGD	
CCSc1cccc(NC(=O)C(=O)NNc2cccnn2)c1	784863003	SVZHAKNBTWDZME-UHFFFAOYSA-N	317.374	1.670	50	20	DDGD	
COc1cc(C(=O)NNC(=O)N(C)C)cc(OC)c1C(C)C	781324663	ZKQGQOOZGFBUHC-UHFFFAOYSA-N	309.366	1.743	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)N[C@@H]2CC[C@@H](C)C2)cc1	780787869	XSYOFTSZKWFMRC-VXGBXAGGSA-N	321.377	1.593	50	20	DDGD	
Cc1cccc(C)c1OCCC(=O)NNC(=O)c1cccnn1	893680701	BIBQVIKQQVBZKZ-UHFFFAOYSA-N	314.345	1.324	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cccc(C#N)c1)C1CCOCC1	795080033	INIHGCURZKCBHS-UHFFFAOYSA-N	315.373	1.772	50	20	DDGD	
C[C@@H](OCc1ccccc1)C(=O)NNc1nc2ccccn2n1	791239899	OVKGDGPQLQMQAM-GFCCVEGCSA-N	311.345	1.778	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1c(C)c(O)c(C)c(C)c1O	799880571	BHRIALSZHHQOIW-LBPRGKRZSA-N	324.377	1.525	50	20	DDGD	
CC(C)n1ccc(NC(=O)C(=O)NNc2ccc(F)cc2F)n1	797045320	JPXJQCITGSSUNJ-UHFFFAOYSA-N	323.303	1.824	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)Cc2csc(C)n2)cn1C	790146154	OKDXUAIXKHOLHP-UHFFFAOYSA-N	320.374	1.269	50	20	DDGD	
CC(C)[C@H](F)C(=O)NNc1ccccc1S(=O)(=O)N(C)C	795167954	CHRMNGHDLKJVKF-LBPRGKRZSA-N	317.386	1.374	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc(-n3cnnc3)cc2)n1	794080627	PHQZHHXULQJKGI-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccc(C)n2)c(O)c1	794089105	AETWBKSZLHOXBS-UHFFFAOYSA-N	301.302	1.179	50	20	DDGD	
CC(=NNC(=O)CCc1ccccc1O)C(C)(C)n1cncn1	794507563	JPSYBQAQGXABCX-UHFFFAOYSA-N	315.377	1.844	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CCOCC(F)F	790848963	PVDYCYKLDMWFLA-UHFFFAOYSA-N	302.277	1.588	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)NCc1ccccc1F	794755136	UYNAIBQSEYIZTL-UHFFFAOYSA-N	303.297	1.179	50	20	DDGD	
C[C@H](CCN(C)C)NC(=O)NNc1ccc(C(C)(C)C)nn1	1323007702	KNFBZBDTWUPTCU-LLVKDONJSA-N	308.430	1.740	50	20	DDGD	
CN[C@H](C)CCNC(=O)NNC(=O)c1c[nH]c2ccccc12	1328723815	DZPOVJUMHZPXJQ-SNVBAGLBSA-N	303.366	1.110	50	20	DDGD	
CSc1ccc(O)c(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	1328342767	OWEMEZAOCHNMES-SCZZXKLOSA-N	310.375	1.300	50	20	DDGD	
CCN1CCOC[C@H]1C(=O)NNc1ccc(F)c(F)c1F	1335785568	JORAXGKTRZPBBU-JTQLQIEISA-N	303.284	1.268	50	20	DDGD	
Cc1sc(NC(=O)C(=O)NNc2cccnn2)nc1C(C)C	1333320154	BABHPKSDRDOCPK-UHFFFAOYSA-N	320.378	1.447	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2CCC(OC)CC2)cc1	1343217931	NMLUFDDVCXXRAF-UHFFFAOYSA-N	306.362	1.661	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@@H]2CC23CCSCC3)c1Cl	1261260207	GDLNAPIIUKBJAY-ZETCQYMHSA-N	313.814	1.689	50	20	DDGD	
O=C(NCc1ccc2c(c1)CCC2)NNC(=O)c1cccnn1	1262031224	KXCXBGIIKWVISM-UHFFFAOYSA-N	311.345	1.110	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(C(F)F)cc1	1515785309	IKBRVYHCHCNEER-UHFFFAOYSA-N	313.304	1.756	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@H](C)[C@@H]1CN(C)CCN1C	1528122353	MEGXTXDUCLLTQO-DOMZBBRYSA-N	323.416	1.395	50	20	DDGD	
Cc1ccn2cnc(C(=O)NNc3ccc(C(=O)O)cn3)c2c1	1607893527	JIYKKFHVVNHKIM-UHFFFAOYSA-N	311.301	1.493	50	20	DDGD	
O=C(O)c1cccc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)c1	1602433509	YVOIUADQVOZCQT-UHFFFAOYSA-N	323.308	1.983	50	20	DDGD	
O=C(O)[C@H]1CCCC[C@H]1S(=O)(=O)NCC(Cl)Cl	1601813256	XFAPGIOQAOBNTI-NKWVEPMBSA-N	304.195	1.353	50	20	DDGD	
Cc1c(NNC(=O)Nc2ccc[n+]([O-])c2)cccc1C(=O)O	1607552636	QSAJSBSQGPBULT-UHFFFAOYSA-N	302.290	1.475	50	20	DDGD	
CC(C)n1ncc(C(=O)NNc2ccc(C(=O)O)cc2F)c1N	1604043698	ZUHHPSCAABZPLF-UHFFFAOYSA-N	321.312	1.640	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cc([N+](=O)[O-])ccc2O)c1	1602448474	OSLBFUMGGOVRER-UHFFFAOYSA-N	317.257	1.756	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1ccc(C(=O)O)[nH]1)c1ccccc1	1609647729	NQCRVCYWGLPKAA-UHFFFAOYSA-N	315.329	1.452	50	20	DDGD	
O=C(O)c1cc(C=NNC(=O)C2CCOCC2)n2c1CCCC2	1602254650	ICSJUGWDUURFTB-UHFFFAOYSA-N	319.361	1.399	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)c(F)c1)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21	1601554691	JVYCWRXHKUPZSO-DTPMLBFTSA-N	321.308	1.326	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2	1607140453	SXZMLGQJBCLJHL-JMJZKYOTSA-N	318.329	1.452	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)[C@H]2CO[C@@H](CCC(=O)O)C2)c1	1605282201	PYIZPRRZDBEPSW-MNOVXSKESA-N	310.325	1.847	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)[C@@]12[C@@H]3[C@H]4C(=O)[C@H]1[C@@H]1[C@@H]4C[C@@H]3[C@@H]12	1608948422	ZCHRRCRKBQITRG-WIZJBJBTSA-N	324.336	1.155	50	20	DDGD	
Cc1nn(C(C)C)cc1C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549322041	WWBXWDGENVRYOW-GJZGRUSLSA-N	319.409	1.086	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2[nH]c(C)c(C(=O)O)c2C)n1	1610518716	RDOFNYNVBLCWCG-UHFFFAOYSA-N	316.317	1.108	50	20	DDGD	
CC(C)c1nc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)cs1	1549319390	UUPYCYVEAIYMPZ-QWHCGFSZSA-N	322.434	1.580	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC[C@H]1C(=O)O)c1c[nH]c2ccccc12	1574578754	NVAVQLGFWHTNOC-VHSXEESVSA-N	301.302	1.040	50	20	DDGD	
N[C@@H](CC(=O)NNc1nc2ccccc2[nH]c1=S)C(F)F	1580121261	OOICHIDANVAJMV-LURJTMIESA-N	313.333	1.718	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)Cc1ccccc1C(=O)O	1588976062	LFQLUENZGGJIRQ-UHFFFAOYSA-N	314.345	1.984	50	20	DDGD	
Cc1n[nH]cc1C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1844774350	UNYDLOHLMPMGNK-JTQLQIEISA-N	314.748	1.070	50	20	DDGD	
CN(C)N(C(=O)/C=C/c1ccco1)c1nc(CC(=O)O)cs1	1598255864	KXFNKVOLOYRHHH-AATRIKPKSA-N	321.358	1.886	50	20	DDGD	
Cc1nccc(CCC(=O)NNc2cccc(-c3nn[nH]n3)c2)n1	1592415574	DQOXHMSLMVQUMJ-UHFFFAOYSA-N	324.348	1.041	50	20	DDGD	
CC1(C)OC[C@H]2C[C@]21C(=O)NNc1ccc(C(=O)O)cc1F	1593977095	MRACKKPDDSWKHS-RFAUZJTJSA-N	308.309	1.782	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)OC(C)C)cc(-c2nn[nH]n2)n1C	1591817474	BXKADEXVWAOINJ-WZUFQYTHSA-N	300.322	1.372	50	20	DDGD	
CO[C@H]1C[C@H](CNC(=O)NNc2cccc(C(=O)O)c2C)C1	1599326343	HAKRZVFJVSYXSS-XYPYZODXSA-N	307.350	1.744	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)C(=O)O)c1ccccc1	1595070337	JPYUBCUFJJORNA-UHFFFAOYSA-N	307.350	1.159	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1	1590894410	DHGZOGRJWYWZNS-UHFFFAOYSA-N	311.349	1.823	50	20	DDGD	
CCc1cc(C(=O)O)c(C=NNC(=O)c2ccnnc2)s1	1776081250	GNQOKAAHBXJLKK-UHFFFAOYSA-N	304.331	1.563	50	20	DDGD	
COCCCNC(=O)NN=Cc1c(F)cc(C(=O)O)cc1F	1776039539	GKXMFDWKYLXPGK-UHFFFAOYSA-N	315.276	1.333	50	20	DDGD	
Cc1cc(O)ncc1C=NNC(=O)Nc1ccc(C(=O)O)cc1	1776046428	POUBKZSBJQFBMN-UHFFFAOYSA-N	314.301	1.949	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2cn(CC3CC3)nn2)cc1	1776101806	ZJGZVBDTOJIVMQ-UHFFFAOYSA-N	313.317	1.150	50	20	DDGD	
C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](Cl)CC)CCO2	1783917588	LNZCZSCTZKZITR-SWLSCSKDSA-N	314.813	1.410	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl)[C@@H](F)Cl	1796808770	LBOCFGXWHIQHDH-ANZWQOBJSA-N	315.147	1.693	50	20	DDGD	
CC(C)OCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl	1796804053	KIWAENPZIQVDMQ-NOHGZBONSA-N	320.792	1.584	50	20	DDGD	
C[C@@H]1CCCC[C@H]1NCC(=O)NNC(=O)c1cccc(C#N)c1	162363202	FEFIQWXKRFDHJO-IUODEOHRSA-N	314.389	1.488	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)CN(C)C)cccc1C(F)(F)F	162856232	FPZONEZYBKOGGP-UHFFFAOYSA-N	318.299	1.728	50	20	DDGD	
COC(=O)CCCC(=O)NNC(=O)c1ccc2ccccc2n1	205255526	TZKPPOFBAGQCQK-UHFFFAOYSA-N	315.329	1.339	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](c2ccccc2)C(C)C)[nH]n1	151187042	HJORHXILSUTFNH-CQSZACIVSA-N	300.362	1.919	50	20	DDGD	
CN(C)c1ccnc(C(=O)NNc2ncnc3ccsc23)c1	151382527	QLSIQJKUTFMQPR-UHFFFAOYSA-N	314.374	1.909	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2ccc3c(c2)C(=O)NC3=O)c1	152280330	GSWFXBXIFNQKPO-UHFFFAOYSA-N	306.281	1.199	50	20	DDGD	
O=C(NNc1cccc(F)c1)C1CCN(c2cnccn2)CC1	155031398	PQGMXGIJBNIJRN-UHFFFAOYSA-N	315.352	1.975	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1ccc(Br)o1	156259070	STSINSSLRYMWAC-UHFFFAOYSA-N	323.110	1.465	50	20	DDGD	
CN1CCC(CN(C)S(=O)(=O)CC(C)(C)CCl)CC1	866736460	YCPXXVZVCONNCR-UHFFFAOYSA-N	310.891	1.855	50	20	DDGD	
CC#CC[C@@H](CO)NS(=O)(=O)c1ccc(CCl)cc1	717768909	ANWDFTCDKCJFQB-LBPRGKRZSA-N	301.795	1.478	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](C)SCc1ccccc1	109860046	FOEAGHIHGIKBOV-LLVKDONJSA-N	318.402	1.801	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)Cc1ccsc1	106288741	LZVDJHHCSHACED-UHFFFAOYSA-N	304.371	1.776	50	20	DDGD	
COC(=O)NCC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	54892513	XWZHBMYIDPFXAV-UHFFFAOYSA-N	323.393	1.096	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2cnn(C)c2C)c1	54582235	SHPHGMCXCBDCIK-UHFFFAOYSA-N	316.361	1.185	50	20	DDGD	
O=C(CCc1ccoc1)NNC(=O)[C@H]1COc2ccccc2O1	177048802	HYKFTMGDLBUCAT-CQSZACIVSA-N	316.313	1.200	50	20	DDGD	
CCCC[C@H](CCC)NC(=O)NNC(=O)C(=O)N1CCCC1	175993047	SOWMOXJTZXLPDI-LBPRGKRZSA-N	312.414	1.298	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1C[C@@]12CCCc1ccccc12	173363528	NMWDDRTXUPBEAI-WMLDXEAASA-N	315.442	1.962	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cccnc2C)cc1	170990564	UVERWGOPQAYKPX-UHFFFAOYSA-N	313.357	1.792	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CCc1c(C)noc1C	67436286	YVSCXYKTVMMEFG-UHFFFAOYSA-N	317.345	1.694	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cn(C)cn2)c1C	178155439	VYKCETCHIUKMTN-LBPRGKRZSA-N	316.361	1.265	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCc1cccc(C#N)c1	67459881	GXLPDBNVCRKAMF-UHFFFAOYSA-N	324.340	1.711	50	20	DDGD	
CC(C)n1ncc2cc(C(=O)NNC(=O)NCC3CC3)cnc21	65192763	CGGZKBHEKTYZQV-UHFFFAOYSA-N	316.365	1.366	50	20	DDGD	
Cc1oc(-c2cccs2)nc1C(=O)NNC(=O)NC1CC1	64427598	WBGSXFUKFQOBDG-UHFFFAOYSA-N	306.347	1.818	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C1(c2cccc(F)c2)CC1	115374619	LENSTCYDPRMVPC-UHFFFAOYSA-N	302.309	1.350	50	20	DDGD	
NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(CCl)cc1	311520466	DZBVHZXAHFZTOR-NSHDSACASA-N	302.783	1.064	50	20	DDGD	
O=C(CC[C@H]1CCOC1)NNc1nc(-c2ccccc2)no1	176044424	ASRGOSZEZUUFHR-NSHDSACASA-N	302.334	1.996	50	20	DDGD	
O=C(CCc1c[nH]c2ccccc12)NNC(=O)[C@@H]1CCCO1	32262275	ZNBGKHGIYACHGV-AWEZNQCLSA-N	301.346	1.427	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	72785074	OLDGWCIBLVHMNN-UHFFFAOYSA-N	309.329	1.286	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)c1ccc([N+](=O)[O-])cc1	124177885	VIFCSAQFVLYXFD-UHFFFAOYSA-N	304.237	1.204	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)[nH]n1	122460437	JNELVTCFUMGZHU-VIFPVBQESA-N	320.324	1.340	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)Cc2ccccc2F)c(C)n1	180517906	UVVRPQOKEWENAR-UHFFFAOYSA-N	302.309	1.236	50	20	DDGD	
COc1cccc(NNC(=O)c2cccc3c2oc(=O)n3C)n1	180727988	UKJPAEMYZJUXCH-UHFFFAOYSA-N	314.301	1.292	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)[C@@H]1COc2ccc(Cl)cc2C1	32259383	NNJRARVBNITUKM-GWCFXTLKSA-N	324.764	1.218	50	20	DDGD	
C[C@H](OC[C@H]1CCCO1)C(=O)NNC(=O)Cc1ccc(F)cc1	70780138	FVRIDBHLYOOKQG-SMDDNHRTSA-N	324.352	1.100	50	20	DDGD	
COCc1cccc(CC(=O)NNC(=O)Cc2ccncc2)c1	188423665	PDVADKXPUXZBKS-UHFFFAOYSA-N	313.357	1.161	50	20	DDGD	
O=C(CC1(O)CCCC1)NNc1nc(-c2ccncc2)no1	73259650	WHIKIAZLWUIUIP-UHFFFAOYSA-N	303.322	1.270	50	20	DDGD	
N#Cc1ccc(NNC(=O)C2(C#N)CCOCC2)cc1Cl	182363388	BZOXHLAHEFBWOD-UHFFFAOYSA-N	304.737	1.975	50	20	DDGD	
COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NNc2cnccn2)c1	187958463	YMXILGCLYCACHZ-WCQYABFASA-N	314.345	1.741	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	124700663	CKPUTUQMXUJIAU-SKDRFNHKSA-N	314.382	1.882	50	20	DDGD	
COCCN(Cc1cccnc1)S(=O)(=O)CCCCCl	184418837	QSNIWTIDNFZVMK-UHFFFAOYSA-N	320.842	1.879	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@](C)(O)c2ccccc2)o1	182579249	YZPYOAUSVOJZDV-INIZCTEOSA-N	302.330	1.647	50	20	DDGD	
C=CCOc1ccc(C(=O)NNc2nccnc2OC)cc1	132048859	PYTAJCFCIALXQG-UHFFFAOYSA-N	300.318	1.807	50	20	DDGD	
COc1cccc(NNC(=O)c2cc(OCC(F)F)ccn2)n1	180718086	CQQUZEUPBPTJJX-UHFFFAOYSA-N	324.287	1.886	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cc1c[nH]c2ncccc12)C1CC1	134098859	ZLLKCJJXROSZHG-VIFPVBQESA-N	317.418	1.399	50	20	DDGD	
COc1ccc2nc(NNC(=O)c3cccc[n+]3[O-])c(C)cc2c1	183186676	JHMZCBYBPWXVHU-UHFFFAOYSA-N	324.340	1.942	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cccc2[nH]ccc12	81827260	AYJURQLRPAJGBF-UHFFFAOYSA-N	316.361	1.234	50	20	DDGD	
Cc1cncc(C(=O)NNc2nc3ccccc3c(=O)n2C)c1	80276709	NRRDVVYJKMYGLN-UHFFFAOYSA-N	309.329	1.394	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC[S@@](=O)C(C)(C)C)o1	84159412	XBFIQSQHLXCOJA-NRFANRHFSA-N	315.395	1.079	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1cc(F)ccc1O	80023026	FXLJIBCAUANKHE-UHFFFAOYSA-N	315.264	1.733	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2C[C@H]2C)cc1	250635436	QQCHGKKROXITGA-JTNHKYCSSA-N	306.362	1.656	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@H](CO)CC(C)C)cc(C#N)n1C	255302072	CPXNNELEBONARO-XXUROBRHSA-N	314.389	1.635	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@]12CCc1ccccc12)c1ccncc1	266520243	DZJCAZRCWLMSSK-CRAIPNDOSA-N	307.353	1.747	50	20	DDGD	
CCC[C@@H](CC)NC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	266668595	AEDNGHDVLOJLEQ-SECBINFHSA-N	324.337	1.823	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)N[C@@H]1CCCSC1	267280212	GWLDMGDDXFGINH-CYBMUJFWSA-N	323.418	1.429	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)C(C)(C)C	265281544	OPHHDTYMIPEFEV-JTQLQIEISA-N	316.365	1.106	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H]2CCc3cn[nH]c3C2)n1	267221649	ULLYASROHINFEO-MRVPVSSYSA-N	306.757	1.410	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCCc3cn[nH]c32)s1	268867167	KVSLZUOANQMDQP-JTQLQIEISA-N	319.390	1.801	50	20	DDGD	
CC[C@H](NNC(=O)[C@H](C)Oc1cccc(Cl)c1)C(=O)OC	279688921	FXOMDFGTELWFGE-CABZTGNLSA-N	314.769	1.680	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1ccccc1Br	271258981	IAKKKSOSYZOREL-UHFFFAOYSA-N	314.183	1.684	50	20	DDGD	
COc1ccc2c(c1)OC[C@H](NC(=O)NNc1cccnn1)C2	271027945	BJDHOCOYTHYZRV-LLVKDONJSA-N	315.333	1.115	50	20	DDGD	
CN(CCC(=O)NNC(=O)c1ccccn1)C(=O)OC(C)(C)C	286172919	OSQMGSNUNUMMJM-UHFFFAOYSA-N	322.365	1.100	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccc(OC(F)F)cc1F	283423433	ITQQQATVUDZKTA-UHFFFAOYSA-N	303.240	1.990	50	20	DDGD	
O=C(NNc1ncccc1F)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2	286848173	XQWSXWLAOKIAKK-MVWJERBFSA-N	306.341	1.804	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCCN(C(N)=O)CC1	374734664	INQNBZVWDVWQLS-VIFPVBQESA-N	320.231	1.409	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)CNc2ccc(C)cc2C)C1	287174001	RCBXWWFXSAHMIO-UHFFFAOYSA-N	319.405	1.678	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNC(=O)Cc1ccc(F)cc1	289369305	OYGQLWYQXWMQSP-SNVBAGLBSA-N	310.325	1.105	50	20	DDGD	
COCCCOc1ccc(C(=O)NNC(=O)CC2CC2)cn1	294280749	VMZSPNAWBNODLC-UHFFFAOYSA-N	307.350	1.058	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H]2OC[C@H]3COCC[C@H]32)cc1	294347891	NCWGZQYZAQQEJZ-KCPJHIHWSA-N	306.362	1.580	50	20	DDGD	
C[C@H]1CSC[C@H]1NC(=O)NNC(=O)c1cccc(C#N)c1	805066944	DUTAPQNGPMZPRL-JOYOIKCWSA-N	304.375	1.254	50	20	DDGD	
CC(=O)CCC(=O)NNC(=O)CSc1ccc(Cl)cc1	298270158	GXTPMPYRAFYKII-UHFFFAOYSA-N	314.794	1.949	50	20	DDGD	
C[C@H](CN(C)Cc1ccccc1)NC(=O)NNc1ccncn1	296649952	MZLFGAAHLTVDTA-CYBMUJFWSA-N	314.393	1.623	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(C(N)=O)c(Cl)n2)cc1	806788313	SLJIKKZHLAWMLU-UHFFFAOYSA-N	320.736	1.599	50	20	DDGD	
C[C@@H](c1ccccc1)[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCCO1	293306119	IOORNEOWILGDJL-BZPMIXESSA-N	305.378	1.688	50	20	DDGD	
COc1ccccc1CCC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	294106547	DWOOTGPMPZSENO-FZMZJTMJSA-N	306.362	1.343	50	20	DDGD	
CC(=O)N[C@@H](CC(C)C)C(=O)NNc1ncc(F)cc1F	296819852	CSQUCOBUALRKBO-NSHDSACASA-N	300.309	1.354	50	20	DDGD	
Cc1oc2ncn(C)c(=O)c2c1C(=O)NNc1ncccc1F	804211320	KHRXQKZOYNYFQN-UHFFFAOYSA-N	317.280	1.126	50	20	DDGD	
CN(C)C(=O)COc1ccccc1C(=O)NCC(Cl)Cl	294522979	CQNPOZPLDJMERF-UHFFFAOYSA-N	319.188	1.687	50	20	DDGD	
Cc1cccc([C@H](C)C(=O)NNC(=O)N2CCN(C)CC2)c1	807381918	OTKPUGOKVTZDFL-ZDUSSCGKSA-N	304.394	1.087	50	20	DDGD	
Cc1cc(C)nc(NC(=O)C(=O)NNc2ncccc2F)c1	807300281	HSTWYYMSECBNJR-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
C[C@@H](OCC1CC1)C(=O)NNc1ccc2c(=O)[nH]ccc2c1	803431182	RYWHLTYDWFTTHQ-SNVBAGLBSA-N	301.346	1.786	50	20	DDGD	
O=C(NC[C@@H]1CCCS1)NNc1ccc(-n2ccnc2)nn1	805196983	UEDKMPGCGZYLMP-JTQLQIEISA-N	319.394	1.184	50	20	DDGD	
C[C@]1(CCC(=O)NNC(=O)Nc2ccccc2)CCC(=O)N1	801991532	MXDPJGJLFWXDGH-OAHLLOKOSA-N	304.350	1.288	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)Cn2cc(Cl)cn2)n1	806933314	WSGJDCBXHUZXPX-UHFFFAOYSA-N	301.137	1.432	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)c(C(C)(C)C)n1	295271808	BYKCUYUVISXOSX-NSHDSACASA-N	308.382	1.048	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1	294774161	RFSVPFNYPFQJBQ-UHFFFAOYSA-N	322.321	1.297	50	20	DDGD	
Cc1cc(=O)cc(C)n1CCCC(=O)NNc1ncccc1F	811523761	ZVMSUPKAVIVPQH-UHFFFAOYSA-N	318.352	1.923	50	20	DDGD	
CC(C)(CCNC(=O)NNC(=O)c1ccccc1F)C(=O)O	818624748	QIJPVBSUTAQHJJ-UHFFFAOYSA-N	311.313	1.271	50	20	DDGD	
COC(=O)c1ccccc1CC(=O)NNc1ncncc1F	817082278	SGXNWTKFKGGPIU-UHFFFAOYSA-N	304.281	1.088	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H](F)C(F)(F)F)cc1	810195307	GHCPWCOQDYTIAF-LLVKDONJSA-N	322.258	1.676	50	20	DDGD	
O=C(NNc1ncncc1F)Nc1ccn(CC(F)(F)F)n1	814678586	VWMZQDJBKCVRGY-UHFFFAOYSA-N	319.222	1.523	50	20	DDGD	
COCCOc1ccc(C(C)=NNC(=O)Cc2cc[nH]n2)cc1	814956899	GYLUSTSYXCUHBW-UHFFFAOYSA-N	316.361	1.518	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNc2nccnc2OC)cc1	811073548	BWLSGEBUAZGGKV-UHFFFAOYSA-N	316.317	1.419	50	20	DDGD	
O=C(NNC(=O)c1ccc2oc(O)nc2c1)Nc1ccccc1	813574056	VSWGJABTJZMWFV-UHFFFAOYSA-N	312.285	2.000	50	20	DDGD	
O=C(NCC(F)(F)F)NN=Cc1ccccc1-n1cncn1	814812498	YUSYMOFXQBRBEU-UHFFFAOYSA-N	312.255	1.463	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(C(N)=O)cc1	725735816	GFLIRJYNDMDHII-UHFFFAOYSA-N	316.269	1.922	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@H]2CCCOC2)cc1	727848477	LTVMBRLZHIIQTK-NSHDSACASA-N	323.418	1.830	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cc(-c2nc[nH]n2)ccc1F	819557079	KODOULCSWDVRMY-JXMROGBWSA-N	301.281	1.993	50	20	DDGD	
C[C@@H](CBr)CN1CCC[C@H](c2nnc(O)o2)C1	829438928	UBCDEJQHXPYFPX-IUCAKERBSA-N	304.188	1.986	50	20	DDGD	
CO[C@H](C)CCNC(=O)NNC(=O)COc1ccc(C)c(C)c1	726713179	BRIICYUZJUYUHJ-CYBMUJFWSA-N	323.393	1.438	50	20	DDGD	
COc1ccccc1OCCNC(=O)NNC(=O)CC(C)(C)C	728598078	CNYRMSVHHOJXQQ-UHFFFAOYSA-N	323.393	1.841	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H](C)Cc1cccc(O)c1	825885456	MXUOMPNILXPTSS-UHIISALHSA-N	321.377	1.079	50	20	DDGD	
CC[C@H](C)CCNC(=O)NNc1ccc(-n2cccn2)nn1	820872429	CLTSEFARIRBYKK-NSHDSACASA-N	303.370	1.725	50	20	DDGD	
O=C(NCC(F)(F)F)NN=Cc1cc(-c2nn[nH]n2)cs1	823160420	AZNKKYFYCXWFPN-UHFFFAOYSA-N	319.272	1.124	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)COC(F)(F)F)c1F	821938723	FWLSLAZLNPHANL-UHFFFAOYSA-N	310.203	1.592	50	20	DDGD	
COC(=O)c1nn(C)c(C)c1/C=C(/C#N)C(=O)N1CCCC1	491109301	ZMVZQTVQMMHQOC-FLIBITNWSA-N	302.334	1.045	50	20	DDGD	
CCc1cc(C(=O)NC[C@]2(C)C[C@H]2Br)n(C)n1	824804085	DWCRKAXIKOFGCH-PWSUYJOCSA-N	300.200	1.886	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCc2ccnc(C)n2)c(O)c1	825503775	HQZYDKFMYPVSFQ-UHFFFAOYSA-N	314.345	1.193	50	20	DDGD	
COCc1ccc(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	825632781	FWIDMLROROMCKX-SMDDNHRTSA-N	321.377	1.088	50	20	DDGD	
C[C@]1(C(=O)NCCCOC[C@@H]2CCOC2)C[C@@H]1Br	906777607	JQGVTMQMXBTTSP-GVXVVHGQSA-N	320.227	1.719	50	20	DDGD	
O=C(NNc1ccccc1F)c1ccc(-c2nn[nH]n2)s1	826449181	FTDCDVLNNCVJKC-UHFFFAOYSA-N	304.310	1.824	50	20	DDGD	
O=C(C[C@@H](c1ccccc1)c1ncc[nH]1)NNC(=O)NC1CC1	823767259	DMIQJGGIGKVQAG-ZDUSSCGKSA-N	313.361	1.425	50	20	DDGD	
CCOC(=O)c1cc(NC(=O)[C@@]2(C)C[C@H]2Br)n[nH]1	907232946	AZGGNOQIAGYRMV-HQJQHLMTSA-N	316.155	1.698	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCCn1nc(C(F)(F)F)cc1C	905008102	AGFPSVVCABDEDI-CSKARUKUSA-N	316.283	1.771	50	20	DDGD	
Cc1cc(NCCNC(=O)[C@@]2(C)C[C@@H]2Br)n(C)n1	907916576	QSMWKTMCCFBBAL-CABZTGNLSA-N	315.215	1.430	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CC[C@H](OCCN2CCCC2)C1	490755459	VCWYRNVBRAFHRE-PLFFATQSSA-N	307.394	1.144	50	20	DDGD	
C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ccc(B(O)O)cc1	584989494	FHFMMBBCIGGCFI-GXTWGEPZSA-N	303.211	1.653	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1CCC[C@H](C2CC2)C1	827199588	DQKUPPFLKHYEIO-YXCITZCRSA-N	309.410	1.711	50	20	DDGD	
CC(C[C@H]1CCOC1)=NNC(=O)c1cccc(-c2nn[nH]n2)c1	820235979	WAMGRWVIUVQHJC-LLVKDONJSA-N	314.349	1.399	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NN(C)C(=O)OC(C)(C)C	495981673	UKJINXVUBHEEPP-UHFFFAOYSA-N	303.359	1.363	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@@H](NC(=O)/C(C#N)=C/c2cnn(C)c2)C1(C)C	491048325	KVNPECPHOVDKRJ-LBLNYOTMSA-N	302.378	1.503	50	20	DDGD	
CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cc(B(O)O)ccc1F	584962465	GWVSNDOXFIFRSB-NHYWBVRUSA-N	307.174	1.546	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1cnn(CC2CCC2)c1	901257223	BIOMLWRCVCJHNM-IUODEOHRSA-N	304.394	1.948	50	20	DDGD	
COC(=O)N(C)NC(=O)CCN(Cc1ccccc1)C(C)=O	495692135	GKPFYWWKIITHEV-UHFFFAOYSA-N	307.350	1.155	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	735796688	GRFYUMNYJCEHON-UHFFFAOYSA-N	302.338	1.064	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCC2(O)CCCCCC2)cn1	490971637	IYGINYMBIPXAJJ-ZSOIEALJSA-N	302.378	1.529	50	20	DDGD	
Cc1cnn(CC(=O)NNC(=O)C(C)(C)c2ccccc2)c1	731176431	TTZYEQQLTURWRL-UHFFFAOYSA-N	300.362	1.317	50	20	DDGD	
CC1(C)C[C@H]1CNC(=O)NNC(=O)COCc1ccccc1	738477527	LARXUXGNXQQJEX-ZDUSSCGKSA-N	305.378	1.580	50	20	DDGD	
O=[N+]([O-])c1ccc(N2CC[C@H](B(O)O)C2)cc1OC(F)F	585073746	OOWSMZRQONDLDE-ZETCQYMHSA-N	302.042	1.249	50	20	DDGD	
CC(C)(C)c1cnc(CCC(=O)Nc2cccc(B(O)O)c2)o1	584914527	ZEZMXZANXRKMJX-UHFFFAOYSA-N	316.166	1.223	50	20	DDGD	
CC(CS(=O)(=O)c1ccccc1)=NNC(=O)[C@@H]1CCCCO1	834988080	DTUBEJIVEPMERO-AWEZNQCLSA-N	324.402	1.522	50	20	DDGD	
CC1CCN(CCCCNC(=O)NNc2cccnn2)CC1	736377824	IJZPMIOYOPVKOR-UHFFFAOYSA-N	306.414	1.615	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2ccnc3cc(Cl)ccc23)CC1	730031832	KDQPEYPIRGIBGX-UHFFFAOYSA-N	318.764	1.858	50	20	DDGD	
CCO[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)[C@H]1CCCCO1	838726358	DSZLSNDTXGGBSX-JHJVBQTASA-N	313.398	1.234	50	20	DDGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2ccn(C)n2)c1C	734256914	SKLDSSCPFUHBIH-UHFFFAOYSA-N	323.360	1.646	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21	905096624	QVKQFEALZUMKJK-BZHVJNSISA-N	319.386	1.238	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)c2cnn(-c3ccccc3)c2)ncn1	734253702	WZTNGAHKALPYCL-UHFFFAOYSA-N	322.328	1.297	50	20	DDGD	
C[C@@H](CBr)CN1CCC[C@@H](NC(=O)N(C)C)C1	832551114	ZBBZCKSDUNWSRV-WDEREUQCSA-N	306.248	1.753	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@H]1CCC[C@H](C(=O)O)C1	833102168	FEACXYPCLPEADQ-KBPBESRZSA-N	318.373	1.658	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2(N(C)C)CCC2)cc1F	837050448	KJDYFYFDYUBOKZ-UHFFFAOYSA-N	309.341	1.540	50	20	DDGD	
COCC1(C(=O)NNC(=O)COc2ccccc2O)CCCC1	837403798	HFLJILQGLWSLRA-UHFFFAOYSA-N	322.361	1.125	50	20	DDGD	
O=C(NNc1ccc(Br)c(F)c1)[C@@H](O)C1CC1	832356270	GBPZWCKQMFPTSZ-JTQLQIEISA-N	303.131	1.802	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12	837624341	ZKSSYMZGQXEWPN-YRKSKIDTSA-N	321.421	1.711	50	20	DDGD	
CCc1cc(CNC(=O)NNC(=O)c2cccc(Cl)c2)n[nH]1	738488550	MHCJARDRTKVSGK-UHFFFAOYSA-N	321.768	1.770	50	20	DDGD	
O=S(=O)(CCl)N1CCCN(Cc2cscn2)CC1	830367377	XNWSIDHXGJJFBD-UHFFFAOYSA-N	309.844	1.177	50	20	DDGD	
C[C@@H](NNC(=O)CN1CSCCSC1)C(F)(F)F	912898849	RYMGQLBQMHNHFF-SSDOTTSWSA-N	303.375	1.255	50	20	DDGD	
CC1(C)CCC[C@H]1CNC(=O)NNC(=O)N=c1cc[nH]cc1	836492583	HEOVNFGBONMUBH-NSHDSACASA-N	305.382	1.666	50	20	DDGD	
N#Cc1cccc([C@@H](NNC(=O)CC2CCCC2)C(=O)O)c1	833076801	ZCSMPQXUBUTJKY-OAHLLOKOSA-N	301.346	1.885	50	20	DDGD	
CC(=NNC(=O)C1CC1)[C@H]1CN(Cc2ccccc2)CCO1	735609012	KHRYYERROBUCBA-MRXNPFEDSA-N	301.390	1.790	50	20	DDGD	
Cc1cccc(C=NNC(=O)Cc2cc(O)nc(S)n2)c1	730586798	CROZDVFJVVRWTM-UHFFFAOYSA-N	302.359	1.472	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1CCN2CCC[C@@H]2C1	916573901	SGPHYYQUNFUOSV-UONOGXRCSA-N	316.405	1.566	50	20	DDGD	
Cc1cn(-c2ccccc2Cl)nc1C(=O)NN(C)C[C@H](C)O	910154691	FBJLILYOHBJMNJ-NSHDSACASA-N	322.796	1.792	50	20	DDGD	
Cc1sc2nc(CS[C@@H](C)C(=O)NN)nc(O)c2c1C	916665512	CBDUAMCWHDUHQU-ZETCQYMHSA-N	312.420	1.625	50	20	DDGD	
Cc1nnc(-c2ccc(C(=O)NNC(=O)c3ccc[nH]3)cc2)o1	746103303	NSAYGICDAGNXCJ-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2c3c(nn2C)CCC3)n1	910942801	AILAXJYCDAXQRX-UHFFFAOYSA-N	306.757	1.418	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2	747672570	NRFAYLZQPIHPJY-AVGNSLFASA-N	304.419	1.308	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccc(S(C)(=O)=O)cc1)n1ccnc1	845854455	AVPQANLHWRHUQQ-NSHDSACASA-N	322.390	1.381	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H]1CCN(Cc2ccccc2)C1	847687100	LXHCVMDFTOAFSL-AWEZNQCLSA-N	304.394	1.201	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@](C)(O)C2CC2)c1	843869871	GDLLGVYRPJCHDG-OAHLLOKOSA-N	306.366	1.384	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)ccn1	843653951	PDXLOEVHWCDKKG-PWSUYJOCSA-N	307.350	1.055	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@H]1CCc2cncn2C1	844132982	LIXDWAFRLDNOSW-AWEZNQCLSA-N	312.373	1.226	50	20	DDGD	
COc1ccnc(C=NNC(=O)[C@@H](C)CN2CCCCCC2)n1	842522150	UEZZRAUPEHUIKV-ZDUSSCGKSA-N	319.409	1.447	50	20	DDGD	
COC[C@H](C)CNC(=O)NNc1ccc(CC(=O)OC)cc1	845004682	FMZLYLHMZBOMMA-LLVKDONJSA-N	309.366	1.311	50	20	DDGD	
CC(C)Oc1ccc(NC(=O)NNC(=O)CCCN)cc1C#N	841155839	YQCRBJDKGTXSPQ-UHFFFAOYSA-N	319.365	1.237	50	20	DDGD	
C[C@H](Cc1ccco1)NC(=O)NNC(=O)c1ccc(C#N)cc1	747103571	RPSMJZIWMVDCNT-LLVKDONJSA-N	312.329	1.726	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)Cc2ccc(C#N)cc2)n[nH]1	847626427	MPNZPMOFQVBMQI-JTQLQIEISA-N	311.345	1.230	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NC[C@@H]2CCCCO2)cc1	844923740	HUBPCGFETWDYHL-AWEZNQCLSA-N	321.377	1.597	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(S[C@@H]2CCOC2=O)cc1	910159950	CYUQTPRLFQSGIA-ZWNOBZJWSA-N	324.402	1.052	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1cccc(N(C)C)c1	843656643	NKQDOXJNVWBMSP-DOMZBBRYSA-N	319.405	1.258	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1ccc(C)cc1C	743446594	ZPCJJDWODCUKQC-UHFFFAOYSA-N	314.345	1.588	50	20	DDGD	
Cc1cccc2c1C(=NNC(=O)[C@@H](C)CN1CCOCC1)CC2	841614186	HFTRVNIETFCWEY-AWEZNQCLSA-N	315.417	1.730	50	20	DDGD	
Cc1cccc(C)c1NC(=O)NN(C)C(=O)N1CCNCC1	841009034	FMGASXYLUOTTSQ-UHFFFAOYSA-N	305.382	1.297	50	20	DDGD	
N#CC1(C(=O)NNc2ncccc2C(F)(F)F)CCOCC1	740093417	OKPWIBVNNSLNAY-UHFFFAOYSA-N	314.267	1.864	50	20	DDGD	
Nc1cc(C(=O)NN=Cc2ccc(Cl)nc2)cc([N+](=O)[O-])c1	748780631	MMAGZVQKZMTECK-UHFFFAOYSA-N	319.708	1.989	50	20	DDGD	
CCS[C@@H]1CC[C@H](N(C)CC(=O)NNC(=O)C(C)(C)C)C1	744423509	IHLAUPRCWGZLJL-NWDGAFQWSA-N	315.483	1.786	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C1CC(C(=O)O)(c2ccccc2)C1	842549078	GPGDZNQPHBEVJN-UKOIWPHMSA-N	316.357	1.700	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc2c1OCC2(C)C	843652386	AXDPDJMMDGDSLW-QWRGUYRKSA-N	318.373	1.543	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1c(C)nc2ccccn12)[C@H]1CCOC1	841606413	DTXLTVYSVXLFHC-STQMWFEESA-N	316.361	1.410	50	20	DDGD	
CC(=O)N[C@@H](C(C)=NNC(=O)CN(C)C)c1ccccc1F	841627634	XIYLWFARSUREQF-HNNXBMFYSA-N	308.357	1.057	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@H]1CCN(CC(F)F)C1	856918084	ASOGICYOWQKTJI-QMMMGPOBSA-N	320.731	1.096	50	20	DDGD	
N#CSCCCNC(=O)c1ccnc(N2CCCCC2)n1	854362642	VQJXIOIGCCJYBO-UHFFFAOYSA-N	305.407	1.801	50	20	DDGD	
CC1(C)CCCCC1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	757575763	MXZNXABEEGJARA-SNVBAGLBSA-N	301.412	1.429	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnc3n2CCCCC3)o1	857147702	VPESCXSWCZEKRI-UHFFFAOYSA-N	302.334	1.586	50	20	DDGD	
CC(C)CC(=O)NCCC(=O)NC[C@]1(C)C[C@H]1Br	857399511	WVMLLRUYYVNMAY-MFKMUULPSA-N	319.243	1.829	50	20	DDGD	
COC(=O)[C@@H](C)N(CCI)C1CCC1	759556250	HKTDVKQCVKCUNH-MRVPVSSYSA-N	311.163	1.837	50	20	DDGD	
CCOCCC1(C(=O)NNC(=O)c2cccc(F)n2)CCC1	856423065	KUZUFMKLTGTZHS-UHFFFAOYSA-N	309.341	1.579	50	20	DDGD	
CCCCN(CCO)C(=O)NC[C@@]1(C)C[C@H]1Br	856950559	CXLGPPQJVMYZAO-ZYHUDNBSSA-N	307.232	1.964	50	20	DDGD	
C#C[C@@H](CC)NC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	854067654	BCIHYJKTHAAKEA-KBPBESRZSA-N	317.389	1.813	50	20	DDGD	
COc1ccc([C@@H](NC(=O)NNC(=O)C(C)(C)C)C2CC2)cn1	858207221	GFZVGUZDVLIVEU-ZDUSSCGKSA-N	320.393	1.918	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ncc(F)cc1F)C1CC1	855099688	LEXLSCPBGQYOEA-ZCFIWIBFSA-N	300.334	1.267	50	20	DDGD	
Cn1cc(C=NNC(=O)c2cccnc2)c(-c2cccnc2)n1	920357735	VIVLFJSXUZOIND-UHFFFAOYSA-N	306.329	1.641	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCCc2cccs2)ncn1	758712008	BKSGZICTZKRCDI-UHFFFAOYSA-N	305.363	1.033	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2cnccn2)c2[nH]ncc12	756527110	WMSRMHHXMKLMGG-UHFFFAOYSA-N	311.305	1.128	50	20	DDGD	
O=C(NNC(=O)c1cc(C(F)(F)F)n[nH]1)OCC(F)(F)F	856020490	JLZKHOZTXHHIDA-UHFFFAOYSA-N	320.149	1.362	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)c1scnc1C	750943024	CQCJAICBOMXVCA-UHFFFAOYSA-N	322.415	1.783	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N(C)Cc2cnc[nH]2)cc(C#N)n1C	855134455	OWMZTEKLYXYJQS-PQMHYQBVSA-N	308.345	1.494	50	20	DDGD	
C[C@]1(CNC(=O)N[C@H](CO)CC(F)F)C[C@@H]1Br	856954875	KYRNBPVXBATOCR-MHYGZLNHSA-N	315.158	1.475	50	20	DDGD	
O=C(C[C@@H]1C=CS(=O)(=O)C1)NNc1cc(F)c(F)cc1F	754420000	KANLQDLICPOXIV-ZETCQYMHSA-N	320.292	1.495	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	854922193	AKVZKTKVGSYXFK-HTQZYQBOSA-N	317.336	1.675	50	20	DDGD	
CC(C)(C)SCCCC(=O)NNC(=O)N1CCOCC1	753981697	XAPQWECSWUNSHU-UHFFFAOYSA-N	303.428	1.371	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2ccc3nnc(C)n3c2)c1	759328773	QOFBHQZYWYDTSU-UHFFFAOYSA-N	315.308	1.942	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)[C@@]1(C)CC1(F)F	855825591	IDZUWVMHJYEXCP-CYBMUJFWSA-N	319.352	1.122	50	20	DDGD	
C[C@H](CCN(C)C)NC(=O)NC[C@]1(C)C[C@H]1Br	856838895	FJSWDIGCPXMFJZ-FOGDFJRCSA-N	306.248	1.799	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2cccc3nccn23)n1	753464145	MEFOCJXLDMUWNU-UHFFFAOYSA-N	303.713	1.117	50	20	DDGD	
Cc1nccn1CCNC(=O)NC[C@@]1(C)C[C@H]1Br	856840899	WOVMNERODTWLGD-ZYHUDNBSSA-N	315.215	1.664	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1ccc(C)s1	750937141	ROGGCGZFDQGJDN-UHFFFAOYSA-N	305.359	1.920	50	20	DDGD	
N#Cc1ccc(CC(=O)NNCC(F)(F)C(F)(F)F)cc1	863093897	FXXVUNYEFGJWJE-UHFFFAOYSA-N	307.222	1.919	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H](C)OCc1cccc(C)c1	865016552	MDCQBYKWNGNIJC-ZDUSSCGKSA-N	323.393	1.267	50	20	DDGD	
COc1ccc2cc(C(=O)NNC(=O)C(C)(C)O)sc2c1	867672881	YXCBXUOPGGCYAO-UHFFFAOYSA-N	308.359	1.442	50	20	DDGD	
O=C(CCC(=O)c1ccc(Cl)cn1)NNC(=O)NCC1CC1	768982699	FNTIQDAPGRTSJY-UHFFFAOYSA-N	324.768	1.438	50	20	DDGD	
Cc1ccc(C=NNC(=O)CNC(=O)c2cccnc2)cc1F	763199342	PQDIJXMZPXTZSB-UHFFFAOYSA-N	314.320	1.409	50	20	DDGD	
Cc1cccc(NNC(=O)c2ccc(N3CCOCC3)cc2)n1	862524390	ZJLJZRMJJCOFCP-UHFFFAOYSA-N	312.373	1.984	50	20	DDGD	
COC(=O)CSCCC(=O)NNCC(F)(F)C(F)(F)F	863093814	BYONURJRPUFWTN-UHFFFAOYSA-N	324.271	1.101	50	20	DDGD	
C[C@H](NNC(=O)c1ccc2c(c1)N(C)C(=O)CO2)C(F)(F)F	862324500	NMJZJOHVMXOGHX-ZETCQYMHSA-N	317.267	1.227	50	20	DDGD	
Cc1cc(=NNC(=O)Nc2cnn(C)c2C(F)(F)F)cc[nH]1	860987972	MMKBJFXRFJDECL-UHFFFAOYSA-N	314.271	1.713	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H](C)OCc2ccncc2)n1	868905139	AEUXQVQBDNXAIU-SECBINFHSA-N	321.768	1.882	50	20	DDGD	
Cn1nnc2c1C[C@H](C(=O)NNc1ccc(F)c(Cl)c1)CC2	863082731	RJUJKHNKRZJCBI-MRVPVSSYSA-N	323.759	1.856	50	20	DDGD	
CCO[C@H](CC(=O)NNC(=O)c1ccccc1OC)C(C)C	760522383	DPZOWRCIOFKYLX-CQSZACIVSA-N	308.378	1.907	50	20	DDGD	
Cc1nnc(NNC(=O)c2cc(F)cc(Cl)c2O)nc1O	768927329	GCBNLXMVEJAELB-UHFFFAOYSA-N	313.676	1.141	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H]2CCCN2Cc2ccccc2)cc[nH]1	862510519	JPSDPKCNOBMNGQ-KRWDZBQOSA-N	310.401	1.920	50	20	DDGD	
O=C1N[C@@H](C(=O)NNc2cccc(Br)c2)CCO1	860313826	QDPWLVPKVXEPLG-SECBINFHSA-N	314.139	1.391	50	20	DDGD	
COc1nccnc1NNC(=O)C(=O)Nc1ccc(Cl)cc1	766260325	DNSMVOWHMNJUCO-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
Cn1c(C(=O)NNC(=O)C(C)(C)C)cc(=O)c2ccccc21	864889370	TVVCAPZFXAENNH-UHFFFAOYSA-N	301.346	1.346	50	20	DDGD	
CCCn1cc(C(=O)NNc2cccc(C(F)(F)F)n2)nn1	767150018	HQAVNABGOCOATP-UHFFFAOYSA-N	314.271	1.859	50	20	DDGD	
CN(NC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1	768523065	VRVDLLQHMISARU-UHFFFAOYSA-N	304.310	1.142	50	20	DDGD	
CCO[C@H]1CCCC1=NNC(=O)c1ccc(-n2cnnn2)cc1	766433829	PBASSXCXKDIQIB-AWEZNQCLSA-N	314.349	1.337	50	20	DDGD	
COc1ccc(NNC(=O)c2coc(C3CCOCC3)n2)nc1	768240178	VCZKOTAWXPHSGD-UHFFFAOYSA-N	318.333	1.729	50	20	DDGD	
CN(C)c1nc(Cl)c(C=NNC(=O)c2cccn2C)s1	767231632	HOFSMCNIBCNYCH-UHFFFAOYSA-N	311.798	1.965	50	20	DDGD	
CCc1noc(CC)c1CNC(=O)NN=c1cc[nH]c(C)c1	875363191	LYSJDTVCGNJNOH-UHFFFAOYSA-N	303.366	1.751	50	20	DDGD	
CSc1cccc(C)c1NC(=O)C(=O)NNc1cnccn1	770767416	XUCYJHGJYMKREE-UHFFFAOYSA-N	317.374	1.589	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@@H]2COc3ccccc3C2)c1Cl	1116300276	VUBZEFCRURAOQH-VIFPVBQESA-N	319.752	1.407	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CO[C@H]1CCC[C@H](C)C1	772115257	NEJOLKHSZVZDKW-SRVKXCTJSA-N	314.382	1.071	50	20	DDGD	
O=C(CO)NN=Cc1cn(-c2ccccc2)nc1-c1cccnc1	776780400	RWRXAQYIKYJHHY-UHFFFAOYSA-N	321.340	1.377	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNc2ncccn2)cc1F	775674120	QNOXQXOBLZGJOO-UHFFFAOYSA-N	305.269	1.551	50	20	DDGD	
COCCOCC(=O)NN=C1CCOc2c(OC)cc(C)cc21	872402767	IYHHBKVKZUTLQJ-UHFFFAOYSA-N	322.361	1.269	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C[C@H]1CC[C@H](C)C1	772186834	RJYLWEIBSZGTPY-AVGNSLFASA-N	312.410	1.938	50	20	DDGD	
CN(C)Cc1cccc(NC(=O)NNC(=O)C2CCOCC2)c1	878182769	TVWBMMIUOPBDBG-UHFFFAOYSA-N	320.393	1.328	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccnc(OC2CCC2)c1	1116910144	XOFHXJMNRSNJEH-UHFFFAOYSA-N	306.391	1.308	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)n1	875421180	LVYBYPNDGJRQRS-IACUBPJLSA-N	302.378	1.974	50	20	DDGD	
CN1CCc2cc(C(=O)NNC(=O)Cc3ccncc3)ccc21	778950904	NCRKZEOPYVPMAN-UHFFFAOYSA-N	310.357	1.078	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCC(=O)N1CCC[C@H](C)C1	1122013298	OSBKFZQKNPYZFQ-LBPRGKRZSA-N	319.409	1.665	50	20	DDGD	
COC(=O)N(C)NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2	1120737219	QWPWTNVHJJJAAG-UHFFFAOYSA-N	320.271	1.120	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC[C@H]2CO)c1C	889132850	RLYKWFVCUBEXMO-LRQZKABGSA-N	317.389	1.252	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1c(C(F)F)nc2n1CCCC2	887153040	FUNCOXLVADDYBN-UHFFFAOYSA-N	324.331	1.722	50	20	DDGD	
O=C(NNc1c(F)cccc1F)N[C@@H]1CCn2ccnc2C1	779664920	FJXXPEJWNIXEGC-SECBINFHSA-N	307.304	1.802	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc([S@](C)=O)c(F)c1	770349470	MFBNWFXDFMSRML-FQEVSTJZSA-N	301.343	1.372	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)C1CCOCC1)c1ccc(F)cc1	883062800	RPEIJANCJCVHKA-ZHACJKMWSA-N	306.337	1.803	50	20	DDGD	
C[C@H](CBr)COC(=O)[C@H]1CCC[C@@H](C(N)=O)C1	787834413	UXNTYYIRXXTTAU-BBBLOLIVSA-N	306.200	1.852	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](NC(C)=O)C(C)C)c1	780792231	FUXACLOMZRVZRD-CYBMUJFWSA-N	307.350	1.077	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc2c(c1)NC(=O)CS2	782549064	FETHFIFQACBJCX-UHFFFAOYSA-N	308.363	1.540	50	20	DDGD	
O=C(NC1CC1)c1cccc(OS(=O)(=O)CCCCl)c1	881795806	NXUHIXCRKBKPBO-UHFFFAOYSA-N	317.794	1.916	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2c(Cl)c(C)nn2C)n1	888648768	NTMAHHAUKHSWFA-UHFFFAOYSA-N	309.761	1.937	50	20	DDGD	
O=C(NNC(=S)NCCc1ccc(F)cc1)c1ccc[nH]1	789178659	SIMVWVCWTGUZNP-UHFFFAOYSA-N	306.366	1.505	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)NNc2cccc(S(C)(=O)=O)c2)C1	780794637	OVGGVZSPDOZNRY-MNOVXSKESA-N	311.407	1.905	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(OC)c(OC)c1C	887149481	XWSVFXWCQGHQLQ-UHFFFAOYSA-N	304.346	1.577	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H](C)Cc2ccncc2)n1	780023955	MMPRLIUPMJWADC-LLVKDONJSA-N	301.350	1.743	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cccc(CN2CCOC2=O)c1	782554248	ZBEBIKOOJAAQMD-UHFFFAOYSA-N	320.349	1.448	50	20	DDGD	
C[C@]1(COC(=O)CN2CCCCC2=O)C[C@H]1Br	1123141710	MMTXXYGTBZOABI-BXKDBHETSA-N	304.184	1.716	50	20	DDGD	
CC(C)[C@H]1C[C@@H](CC(=O)NNC(=O)c2ccccc2O)CCO1	781679353	ZVQUVXNPWZGISS-SWLSCSKDSA-N	320.389	1.995	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1	781064311	ZKPBJZLBDKZFOK-CHWSQXEVSA-N	324.425	1.108	50	20	DDGD	
CC1CCN([C@H](C)CNS(=O)(=O)CBr)CC1	782425165	OZMNLZSMAHZBSE-SNVBAGLBSA-N	313.261	1.379	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@@H]2CO[C@H](C)C2)cc1	784145251	OIURSJRTNSPBBY-MNOVXSKESA-N	323.418	1.828	50	20	DDGD	
CCOC(=O)c1cnc(C)c(NC(=O)NN=c2cc[nH]cc2)c1	782058565	NJDPIHJQJWIWIX-UHFFFAOYSA-N	315.333	1.532	50	20	DDGD	
CCCC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccsc1	785454349	ZLDRMUITBLPLEQ-LLVKDONJSA-N	314.432	1.803	50	20	DDGD	
CCc1ncsc1NC(=O)C(=O)NNc1cc(C)ccn1	783930533	IUHYKVSEALRNIX-UHFFFAOYSA-N	305.363	1.491	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1nnc2ccccc2c1O	781836534	OGQYUBGLSHJCGE-UHFFFAOYSA-N	316.708	1.536	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)C2CCOCC2)c1	894098108	VJUKIOHAOJTKJT-UHFFFAOYSA-N	306.362	1.338	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)/C=C(\C)Cl	899947286	RIHNHAUUTMDLPY-CSKARUKUSA-N	320.780	1.889	50	20	DDGD	
C#CCSCC(=O)NNC(=O)COc1ccc(C)c(C)c1	895411758	RPCIPAPETNEMEP-UHFFFAOYSA-N	306.387	1.196	50	20	DDGD	
C=C[C@H](NNC(=O)[C@H](C)Oc1cccc(Cl)c1)C(=O)OC	799980861	QJFFUKZWIPMYJR-CABZTGNLSA-N	312.753	1.456	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc(-n2ccnc2)nc1	899992291	VTABIFWKWVJBEW-UHFFFAOYSA-N	318.406	1.175	50	20	DDGD	
CNc1snc(C)c1C(=O)NNC(=O)c1ccccc1C	793164721	ZYCJDCZJJRASON-UHFFFAOYSA-N	304.375	1.876	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(OCCC(=O)NNc2cccnn2)c1	798339277	QGQMLGARNHGZBD-UHFFFAOYSA-N	317.305	1.605	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(OC2CC2)cc1OC	790514730	VOSGYKAXILRRSS-UHFFFAOYSA-N	307.350	1.590	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H](C)[C@@H]2CCCOC2)n1	793043786	URMUOFLGYYOTKM-VXGBXAGGSA-N	306.366	1.149	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@](C)(O)C2CCC2)cc1	792803686	VIJUJKGWNKAPQA-QGZVFWFLSA-N	320.389	1.326	50	20	DDGD	
O=C(C[C@H]1CCCOC1)NNC(=O)c1ccc2c(c1)OCCO2	792892361	AXFCWOXACGSRCK-LLVKDONJSA-N	320.345	1.036	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)CNc1ccccc1	794902472	RFRCGBHKHCFZMD-NWDGAFQWSA-N	303.362	1.251	50	20	DDGD	
Cc1ccc2c(c1)CC[C@H](C(=O)NNC(=S)NC(C)(C)C)O2	798123814	ANKJQOICBAFQCP-CYBMUJFWSA-N	321.446	1.982	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)N[C@@H]1CCc2c(O)cccc21	790393311	FFIHAVLFFWLNTB-GFCCVEGCSA-N	324.344	1.749	50	20	DDGD	
C=C(CBr)COC(=O)CN(C)[C@@H]1CCSC1	795575207	PXIWASXREYPGIT-SNVBAGLBSA-N	308.241	1.918	50	20	DDGD	
O=C(CNC(=O)c1cc(Cl)ccn1)NNc1cccc(F)n1	1323977929	LPIJWWDKVIFBAB-UHFFFAOYSA-N	323.715	1.142	50	20	DDGD	
CN1CCN(c2ccc(C=NNC(=O)CC3CC3)cc2F)CC1	1324474779	DMEXAYFIWXYSDF-UHFFFAOYSA-N	318.396	1.828	50	20	DDGD	
Cc1ccc([C@@H]2CCCN2C(=O)NNC(=O)c2cn[nH]c2)cc1	1331537144	PJYMAWVKOTZNDO-AWEZNQCLSA-N	313.361	1.910	50	20	DDGD	
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NNC(=O)CC(F)(F)F	1334438866	DIOJZEFOOMPYDC-ZCFIWIBFSA-N	306.288	1.305	50	20	DDGD	
CC1=NO[C@](C)(C(=O)NNC(=S)Nc2cccc(C)c2)C1	1262564510	KNXFOUWDKQVJLI-AWEZNQCLSA-N	306.391	1.868	50	20	DDGD	
C[C@@H](Cc1cnc[nH]1)C(=O)NNc1cncc(Br)c1	1346462949	KSQLLNGEAFVCRY-QMMMGPOBSA-N	324.182	1.889	50	20	DDGD	
CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NNc1cccnn1	1342263422	QECCEUHFDPUUGF-GULOHRGCSA-N	321.406	1.178	50	20	DDGD	
O=S(=O)(CCl)NCc1cc(OCC(F)F)ccn1	1344337170	YYFYUELNPOEMSL-UHFFFAOYSA-N	300.714	1.341	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc2cc(O)ccc2nc1C	1346736336	WMJJFTKEYLOYJX-UHFFFAOYSA-N	302.334	1.555	50	20	DDGD	
CC1=NO[C@@](C)(C(=O)NNC(=O)COc2ccc(C)cc2)C1	1353315408	LCAOOSNGFNPGKS-OAHLLOKOSA-N	305.334	1.076	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@H](O)CCc2ccccc2)c1	1602446585	AQCPTYHXQQXMOV-HNNXBMFYSA-N	314.341	1.822	50	20	DDGD	
Cn1cc(C(=O)O)c(NC(=O)[C@@H](Br)C(C)(C)C)n1	1600932891	HONWLJBVZFEIOD-SSDOTTSWSA-N	318.171	1.866	50	20	DDGD	
Cn1cncc1CCC(=O)NNc1ccc(C(=O)O)c(Cl)c1	1608137148	VRYJGYLPZLIBQM-UHFFFAOYSA-N	322.752	1.848	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)C1CC2(CSC2)C1	1606856046	OVLVDAGSRXDEFK-UHFFFAOYSA-N	316.390	1.453	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2ccc(C(=O)O)cc2F)CC1	1601057638	BBBDLQCVDIFAFG-UHFFFAOYSA-N	310.306	1.368	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNC(=O)[C@H]2CCCS2)s1	1608875188	VUDIRTWUDRVQOJ-ZCFIWIBFSA-N	300.361	1.103	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2ccc(C(=O)O)cn2)c1C	1610083187	BEWYJNMKGLDGRM-UHFFFAOYSA-N	303.322	1.370	50	20	DDGD	
NC[C@@H]1CC[C@@H](NC(=O)NNc2cccc(C(=O)O)c2F)C1	1610645410	XTFFMTYXFWMWBN-RKDXNWHRSA-N	310.329	1.277	50	20	DDGD	
COCc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)cc1	1549317837	MUYQARHACRMBNK-JKSUJKDBSA-N	317.389	1.146	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCNN(C(=O)OC(C)(C)C)CC1	1578100395	SOHWECBFUOLPJW-VAWYXSNFSA-N	324.381	1.014	50	20	DDGD	
CO[C@H]1CN[C@@](C)(C(=O)NNc2cccc3c2CCCC3)C1	1578949185	SJSUSRKEZHXUMM-CXAGYDPISA-N	303.406	1.776	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)C[C@H]2CC[C@@H](N)C2)cc1	1579735568	SOJOHGKEZVQDRO-QWHCGFSZSA-N	321.446	1.752	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2ccoc2)o1	1589775256	GQMXXFPADFHTCG-UHFFFAOYSA-N	303.282	1.328	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)[C@@H]2CCCCO2)C1	1841103318	FJRDUAYEKBDURL-QWRGUYRKSA-N	318.776	1.293	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(CCC(=O)O)cc1	1588435386	OLLCJQLAIXBMNM-UHFFFAOYSA-N	317.345	1.660	50	20	DDGD	
CC(C)N(C)CC(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843367402	ZLZVUHGEGQRUKZ-GFCCVEGCSA-N	319.808	1.064	50	20	DDGD	
C[C@@]1(COC(=O)[C@H]2CC[C@@H](C(=O)O)O2)C[C@@H]1Br	1594036290	GCFQMTKRCPQNTI-PJFCORBGSA-N	307.140	1.335	50	20	DDGD	
C[C@@H]1CC[C@@H](CNC(=O)NNc2ccc(F)c(C(=O)O)c2)O1	1594305434	NFGUFYNBYBAQNL-SCZZXKLOSA-N	311.313	1.718	50	20	DDGD	
CN(NC(=O)[C@H]1CCC[C@@H](C(=O)O)C1)C(=O)OC(C)(C)C	1598542213	ZPKSUPICRURJEX-VHSXEESVSA-N	300.355	1.776	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1ccc(Cl)nc1F	1594781947	ZBWIJAYCARBJBC-UHFFFAOYSA-N	310.672	1.724	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1ccc(C)c(-c2nn[nH]n2)c1	1590797502	SRQRXZROBBUFLQ-XFXZXTDPSA-N	312.333	1.235	50	20	DDGD	
CCO[C@@H]1COCC[C@@H]1CC(=O)NNc1ccccc1C(=O)O	1596855910	XMVPKWDEKMAOPJ-BXUZGUMPSA-N	322.361	1.660	50	20	DDGD	
Cc1c(C(=O)NNc2ncccc2C(=O)O)nnn1C(C)C	1594256846	QDBMWRKPHBJUMP-UHFFFAOYSA-N	304.310	1.018	50	20	DDGD	
CN(NC(=O)CC[C@@H]1C[C@H](C(=O)O)CO1)C(=O)OC(C)(C)C	1598541278	KWZPSGWNAAXQET-VHSXEESVSA-N	316.354	1.154	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)C2(C(=O)O)CC=CC2)c1	1594616083	HMLCMPYDUPGSSX-UHFFFAOYSA-N	306.709	1.471	50	20	DDGD	
CCn1ccnc1C(C)=NNC(=O)c1ccc(C(=O)O)cc1	1776100682	VBVBNMFDNMSBCA-UHFFFAOYSA-N	300.318	1.755	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNC(=O)c2cnn(C)c2)cc1	17294227	ZFCIILSJHBCHGQ-UHFFFAOYSA-N	302.334	1.282	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2(c3cccc(Cl)c3)CC2)[nH]n1	151172003	YIRFLNHVVRWYJM-UHFFFAOYSA-N	318.764	1.864	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@H]1CCn2cncc2C1	151923586	KBMBTMGOGUJYAD-AWEZNQCLSA-N	312.373	1.226	50	20	DDGD	
N#Cc1ccc(NNC(=O)CCOc2ccc(C(N)=O)cc2)cc1	155625886	DWUWXYDYKCLWTA-UHFFFAOYSA-N	324.340	1.569	50	20	DDGD	
Cc1cccc2c(CC(=O)NNc3ccc(C(N)=O)nn3)c[nH]c12	154402647	BDRFAIZKPGWULQ-UHFFFAOYSA-N	324.344	1.051	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1	7428849	HXXYMCOVCHUWIW-UHFFFAOYSA-N	324.333	1.458	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CC[C@@H]1CCOC1	177622453	UGQWWXUPPABMQK-NWDGAFQWSA-N	324.352	1.557	50	20	DDGD	
O=C(Cn1ccc([N+](=O)[O-])n1)NNc1ccc(F)c(F)c1F	103275248	YIVRGNMKELDKJI-UHFFFAOYSA-N	315.211	1.352	50	20	DDGD	
CCOC(=O)NNC(=O)c1cnn(Cc2ccccc2Cl)c1	54276032	BGWSTCVBSSNDLE-UHFFFAOYSA-N	322.752	1.976	50	20	DDGD	
CCN(CC)CCCNC(=O)NNC(=O)c1cccc(C#N)c1	103594895	GRTMEKHFJKTLAH-UHFFFAOYSA-N	317.393	1.234	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2scnc2C)cc1	104776272	JSINNNKLBFXYRI-UHFFFAOYSA-N	306.347	1.927	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CNCC(F)(F)F)cc1	112852855	VITZXOPLTBGFIL-UHFFFAOYSA-N	303.284	1.162	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)Cc1ccc(Cl)s1	109826368	MHAJGZCHARZTCZ-QMMMGPOBSA-N	303.815	1.779	50	20	DDGD	
C[C@@H]1CCC[C@H]1NC(=O)NNC(=O)COc1ccc(C#N)cc1	105310212	ODQLMFMMLCOBHQ-BXUZGUMPSA-N	316.361	1.456	50	20	DDGD	
Cc1nn(C(C)(C)C)cc1C(=O)NNC(=O)c1ccncc1	181674405	ORUQIUWFWOXYDY-UHFFFAOYSA-N	301.350	1.416	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2c(=O)[nH]1)c1ccccc1	29854993	GSNDREKXGHPNLJ-UHFFFAOYSA-N	307.309	1.603	50	20	DDGD	
CC(C)(C)[S@@](=O)CCNC(=O)NNC(=O)c1ccccc1	116937233	GBCDKPFTGNYGPE-OAQYLSRUSA-N	311.407	1.178	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1ccnc(Cl)c1	65201856	BJUHNDYAKNTUII-UHFFFAOYSA-N	324.793	1.983	50	20	DDGD	
CSC[C@@H]1CCCN1C(=O)NNC(=O)Cc1cccnc1	119558588	UGICPEXUOHALQQ-LBPRGKRZSA-N	308.407	1.192	50	20	DDGD	
CCCc1[nH]nc(C(=O)NNC(=O)OC(C)(C)C)c1[N+](=O)[O-]	68913059	LAWASBVFWMNZLQ-UHFFFAOYSA-N	313.314	1.440	50	20	DDGD	
C[C@H](O)c1ccc(CNC(=O)NNC(=O)c2ccccc2)cc1	171062476	LHMBGWQAQIMSOU-LBPRGKRZSA-N	313.357	1.884	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@@H]1CC(c2ccccc2)=NO1	122850484	VXEIYVKJCMVKQA-LBPRGKRZSA-N	301.281	1.252	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCc1ccccc1	66906532	YPSYUAQGJJEFOM-UHFFFAOYSA-N	301.321	1.899	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCc2cc3ccccc3o2)cn1	172224885	KGQHMLQCHRULDU-UHFFFAOYSA-N	313.317	1.311	50	20	DDGD	
CCCCNC(=O)NNC(=O)COc1ccc(OCCC)cc1	64426419	QOBMRPWYWVRDCT-UHFFFAOYSA-N	323.393	1.985	50	20	DDGD	
CC(C)[C@H](C)C(=O)NNC(=O)Cc1nc2ccccc2n1C	171956710	PNPSTYZPZNICFG-NSHDSACASA-N	302.378	1.555	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNC(=O)CCCc1ccccc1	129647283	FOTZRSZPBWZVEW-AWEZNQCLSA-N	307.394	1.765	50	20	DDGD	
C=CCCOCCNC(=O)NNc1ccc(C(C)(C)C)nn1	127283358	FLORCNLTMYBJFJ-UHFFFAOYSA-N	307.398	1.993	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)CC(=O)NCC(F)(F)F)c1	182145162	VCOXODRKSJBWFJ-UHFFFAOYSA-N	303.284	1.815	50	20	DDGD	
CCc1ccnc(C(=O)NNc2ccc(C(=O)OC)cn2)c1	181937266	VTTJTQWIWPKMCO-UHFFFAOYSA-N	300.318	1.583	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1sc2c(c1C#N)CCN(C)C2	127563653	HCXGDIKUHWTSFS-CSKARUKUSA-N	316.386	1.990	50	20	DDGD	
CSCC[C@@H](NC(N)=O)C(=O)NNc1ccccc1Cl	120772215	VXDNMZGQKFPBKX-SNVBAGLBSA-N	316.814	1.573	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)c2c(C)nc3ccccn23)c(C)n1	183488663	HBJVNMFNZSUSBC-UHFFFAOYSA-N	324.344	1.124	50	20	DDGD	
Cc1ccc(C)n1-c1c(C(=O)NNc2ccccn2)cnn1C	181180054	SBWYHYZHIQTUCB-UHFFFAOYSA-N	310.361	1.980	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)CCc2ccccc2)CCCO1	126202055	VLAHKCWSKKGPMV-MRXNPFEDSA-N	305.378	1.519	50	20	DDGD	
O=C(Cc1ccc(F)c(F)c1)NNC(=O)NCc1ccco1	127720367	BLSLKMOAZRRRNT-UHFFFAOYSA-N	309.272	1.631	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)CC(F)(F)F)nc1C	182718153	RHNGRXJFNDVZFV-UHFFFAOYSA-N	306.244	1.357	50	20	DDGD	
Cn1ncc(C(=O)NNc2cc(C(F)(F)F)ccc2F)c1N	185604979	MBHSJJNZYUKCTF-UHFFFAOYSA-N	317.246	1.917	50	20	DDGD	
Cc1ccccc1-n1ccnc1SCC(=O)NN(C)C(N)=O	182668768	VGQFTFBNHOLLFR-UHFFFAOYSA-N	319.390	1.315	50	20	DDGD	
CC[C@@H]1C[C@H](C(=O)NNC(=O)c2ccc(C#N)cc2)CCO1	183647782	MJTUODRDFFHXIC-ZIAGYGMSSA-N	301.346	1.524	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNc1ncnc2ccsc12	132518392	GZBNZHHVUPVMNU-UHFFFAOYSA-N	303.347	1.982	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNc2nccnc2OC)s1	131932849	ZNJTWWBCMAZJMV-UHFFFAOYSA-N	307.379	1.960	50	20	DDGD	
O=C(CSCc1cscn1)NNC(=O)Cc1ccncc1	131525362	WMXQCBLFFQIKMR-UHFFFAOYSA-N	322.415	1.161	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccc(-c3ccccc3)nn2)c(=O)[nH]1	85654310	LVWATVCXPLEATO-UHFFFAOYSA-N	321.340	1.897	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2cccc([N+](=O)[O-])c2)CN1C1CC1	130201293	KCYYHJCCUCRQSS-CMPLNLGQSA-N	319.365	1.846	50	20	DDGD	
COC(=O)C[C@H]1CSCCN1C[C@@H](C)CBr	133906773	RWBXIKWCGOGRBT-UWVGGRQHSA-N	310.257	1.998	50	20	DDGD	
COCCCC(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1	44981988	OZUUVVSJDIIOAG-UHFFFAOYSA-N	324.377	1.670	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1c(F)cccc1Cl	194898207	YENGWZMZKJBMLM-UHFFFAOYSA-N	301.705	1.166	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCCC(=O)NC(C)C	45576027	LJEDWDOFWFMISH-UHFFFAOYSA-N	321.381	1.245	50	20	DDGD	
O=C(C[C@H]1CCS(=O)(=O)C1)NNc1ccc(Cl)cc1	132301661	YAFVNWDHFQJOIM-SECBINFHSA-N	302.783	1.608	50	20	DDGD	
C[C@H]1CCN(C(=O)NNC(=O)Cc2cccnc2)CCS1	192244600	WLZHNEPTTPSSMV-NSHDSACASA-N	308.407	1.192	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1	192710641	HFHGJFWTMQNWMV-UHFFFAOYSA-N	314.697	1.271	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1occc1COc1ccccc1	192927899	HUJVQGIVJUEXIN-UHFFFAOYSA-N	318.329	1.391	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCN3CCCC[C@H]23)s1	147829081	LOQPZXFEGBRNPI-NWDGAFQWSA-N	322.434	1.627	50	20	DDGD	
CSc1cc(C(=O)NNC(=O)c2ccc(Cl)nc2)ccn1	97123111	YXDITMGJFNQUNN-UHFFFAOYSA-N	322.777	1.927	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1ccc(Cn2cccn2)cc1	97011432	SVNBSHGXCVTNGG-UHFFFAOYSA-N	309.329	1.334	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1ccc(OCCOC)cc1	255867508	XRVJAGNRBLCYOX-OWBHPGMISA-N	304.346	1.772	50	20	DDGD	
Cc1[nH]c2ccccc2c1C=NNC(=O)CNC(=O)c1ccco1	254844110	VSVAYWDTNCLTDS-UHFFFAOYSA-N	324.340	1.949	50	20	DDGD	
CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NNc2ccccc2)C1	268961563	ISQSWEURPAOFJO-ZDUSSCGKSA-N	321.377	1.766	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NNC(=O)C1CC1	264898264	DVDGXYLPMQSJMC-SSDOTTSWSA-N	300.717	1.804	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NNc2cccc([N+](=O)[O-])c2C)C1	269640574	ZYJTVYKVGZVQBY-LBPRGKRZSA-N	320.349	1.605	50	20	DDGD	
C[C@@H](CCN(C)C)NC(=O)NNC(=O)C(C)(C)c1ccccc1	264516136	PEVYACVGOLWGIN-ZDUSSCGKSA-N	320.437	1.635	50	20	DDGD	
O=C(CCC1CCC1)NNC(=O)CNC(=O)c1cccs1	267279376	VOOBMXXKDYPLSD-UHFFFAOYSA-N	309.391	1.206	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1cccc([N+](=O)[O-])c1	269597810	GYAXQOKMAFLQJI-SECBINFHSA-N	324.337	1.951	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)NCC1CCCC1	266970831	OVRFBDMIDMIFFU-UHFFFAOYSA-N	315.377	1.397	50	20	DDGD	
CSSCCNC(=O)[C@@H]1COCCN1C1CCCC1	367643508	NOEOQLWUXCBPOK-LBPRGKRZSA-N	304.481	1.757	50	20	DDGD	
CCN1C[C@@H](C(=O)NNc2cccc(F)c2[N+](=O)[O-])CC1=O	279232128	GLHXWWDHPMCKOF-QMMMGPOBSA-N	310.285	1.045	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1occ2c1CCOC2	367004503	UMJNOZOBTDPULQ-UHFFFAOYSA-N	318.304	1.495	50	20	DDGD	
O=C(O)CCNS(=O)(=O)c1ccc(CCCCl)cc1	270427413	HDEGKORLLMMTHW-UHFFFAOYSA-N	305.783	1.611	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	279736998	WPNKSOQNPZZIGP-NXEZZACHSA-N	319.317	1.361	50	20	DDGD	
C[C@@H]1CCC[C@H]1NC(=O)NNc1cccc(S(C)(=O)=O)c1	271928332	ZPRLCPISEDWHEZ-ZWNOBZJWSA-N	311.407	1.905	50	20	DDGD	
C[C@@]1(C(N)=O)CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1	279859905	ADFASAINQBKMDU-IYCSXQJISA-N	301.321	1.457	50	20	DDGD	
CCc1ccccc1NC(=O)C(=O)NNC(=O)OC(C)(C)C	274155838	DMOBIVAEYLCKQC-UHFFFAOYSA-N	307.350	1.743	50	20	DDGD	
C#CCN1CCC(C(=O)NNc2cccc(F)c2[N+](=O)[O-])CC1	279491409	XZRNJUXQWTWXMX-UHFFFAOYSA-N	320.324	1.522	50	20	DDGD	
CSSCCNS(=O)(=O)Cc1cccc(C#N)c1	284691040	OUPTUVMCIBJBFN-UHFFFAOYSA-N	302.446	1.989	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CC[C@H](c3ccco3)C2)n1	373465443	LAHCZMHWNWCUSI-LBPRGKRZSA-N	314.345	1.827	50	20	DDGD	
CC(C)(O)CC(=O)NNC(=O)c1c(Cl)cccc1Cl	281041693	XFVFEOFIANTSRI-UHFFFAOYSA-N	305.161	1.915	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)C(F)F)c(OC)cc1Cl	283695557	PULXEWJTBIOOBW-UHFFFAOYSA-N	323.683	1.775	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1ccnn1CC(F)F	280438088	JTGNPIFUASHHAY-UHFFFAOYSA-N	300.309	1.490	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNC(=O)CNc1ccc(C)cc1C	289481227	YBUGKAAKMGQYQA-MRXNPFEDSA-N	305.378	1.190	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)C1	286654089	LAOHLSZFORBSQW-UHFFFAOYSA-N	320.345	1.034	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c1	378562294	WBBBAROHDSYXCP-UPJWGTAASA-N	305.334	1.419	50	20	DDGD	
COCCN(C)NC(=O)c1cnn(CC(C)C)c1C(F)F	288460007	PXEJNCVLYTUYPM-UHFFFAOYSA-N	304.341	1.700	50	20	DDGD	
COC(=O)COCC(=O)NNc1cc(C(F)(F)F)ccc1F	287671854	KTZPREWRNQICDW-UHFFFAOYSA-N	324.230	1.477	50	20	DDGD	
CCOc1ccc(C(=O)CCC(=O)NNc2ccncn2)cc1	295414528	IGPCUWUVVRGQKG-UHFFFAOYSA-N	314.345	1.982	50	20	DDGD	
O=C(Cc1n[nH]c2c1CCCC2)NN=c1cc[nH]c2ccccc12	806811156	LFXKRBQNMSLFOQ-UHFFFAOYSA-N	321.384	1.944	50	20	DDGD	
NC(=O)c1c[nH]c(C(=O)NNC(=O)Nc2ccc(Cl)cc2)c1	802014933	ZSYBREXSUDSLTR-UHFFFAOYSA-N	321.724	1.234	50	20	DDGD	
O=C(NCCc1ccccc1[N+](=O)[O-])NNc1ncccc1F	805158603	VLANDIKCOSLAEL-UHFFFAOYSA-N	319.296	1.998	50	20	DDGD	
C=CCOc1cccc(NC(=O)NNC(=O)[C@@H]2CCCO2)c1	292729717	VGTOXDHCQXQBCV-ZDUSSCGKSA-N	305.334	1.583	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCC[C@@H](C)C2)cc1	801105572	HTZZKNXMFVVPAL-CHWSQXEVSA-N	317.389	1.907	50	20	DDGD	
O=C(COCc1ccccn1)NNC(=S)Nc1ccccn1	805191675	NZBFOWWLNZMQCE-UHFFFAOYSA-N	317.374	1.011	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H]2CCC(=O)[C@H](C)C2)cc1	802062086	CZGWOSNPNLZSCE-MNOVXSKESA-N	319.361	1.853	50	20	DDGD	
COc1ccc(CCNC(=O)NNC(=O)C(C)(C)C)cc1OC	298618535	OBRUGHDOLLOJRQ-UHFFFAOYSA-N	323.393	1.623	50	20	DDGD	
Cc1n[nH]cc1CNC(=O)NNc1ccc2c(=O)[nH]ccc2c1	806431053	KCSWNRCYGFMSRK-UHFFFAOYSA-N	312.333	1.386	50	20	DDGD	
COCc1nc(CNC(=O)NNC(=O)OC(C)(C)C)cs1	292833715	AUHLCOYDCNLBLA-UHFFFAOYSA-N	316.383	1.528	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@H]1CCOc2ccccc21	291645640	KEAKGIFMYKIQFE-AAEUAGOBSA-N	305.334	1.020	50	20	DDGD	
COc1ccc(-c2cc(C(=O)NN(C)C3CC3)n[nH]2)cc1OC	819648711	PARAGSYIJYYFAZ-UHFFFAOYSA-N	316.361	1.833	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@H](C)C(C)(F)F)c1	814726695	HGZCMSYISRIIED-QMMMGPOBSA-N	316.304	1.756	50	20	DDGD	
COC(=O)[C@H]1C[C@H]2CC(=NNC(=O)c3cccc(C#N)c3)[C@H]1C2	817326100	JJAROQTYDAQGEO-UBHSHLNASA-N	311.341	1.863	50	20	DDGD	
CNc1nccc(C(=O)NNc2ccc(F)cc2)c1[N+](=O)[O-]	816843870	FXWSAPFBFSAABI-UHFFFAOYSA-N	305.269	1.928	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NN=Cc2ccn(C)n2)c1C	814748065	HEFKNHRAGVAZMY-ZDUSSCGKSA-N	300.362	1.955	50	20	DDGD	
CC(=NNC(=O)[C@H](C)Oc1cccc(Cl)c1)c1cnnn1C	814917608	YRQYMKSKESSUBK-JTQLQIEISA-N	321.768	1.776	50	20	DDGD	
C[C@@H](C=NNC(=O)Cc1cc(O)nc(O)n1)C1CCCCC1	814859881	FIFNIMPYGATGFL-JTQLQIEISA-N	306.366	1.749	50	20	DDGD	
O=C(NNc1ncncc1F)c1cnc(-c2ccccn2)s1	817081456	CJWHHIHMUXYAGR-UHFFFAOYSA-N	316.321	1.891	50	20	DDGD	
O=C(NNc1ncncc1F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	817082662	WQALAKJKRSVYPR-UHFFFAOYSA-N	322.212	1.189	50	20	DDGD	
CN(NC(=O)[C@@H]1CCCCN1C(=O)c1cccs1)C1CC1	819643690	KNOOUPHZPWZQBH-LBPRGKRZSA-N	307.419	1.868	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)CCCC1CC1	812456012	LXLGRYBVJNXYJT-UHFFFAOYSA-N	305.378	1.835	50	20	DDGD	
Cc1cc(C)c(NNC(=O)[C@H]2CCc3nnn(C)c3C2)c(C)c1	810452030	AUAGOWKZWMIPLO-ZDUSSCGKSA-N	313.405	1.989	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccnc(-c3ncc[nH]3)c2)n1	816546028	SEVQTNPRPLPERL-UHFFFAOYSA-N	322.328	1.250	50	20	DDGD	
CC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)C1CCN(C)CC1	814752747	BSVZDEFTIFZKKM-UHFFFAOYSA-N	319.365	1.625	50	20	DDGD	
NS(=O)(=O)c1ccc(NC(=O)NN=C[C@H]2CC=CCC2)cc1	814966210	RGDGMRXZABVGLB-NSHDSACASA-N	322.390	1.798	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NC1CC1)c1ccccc1[N+](=O)[O-]	814626621	VRJZVRODDIKKDE-UHFFFAOYSA-N	306.322	1.365	50	20	DDGD	
CC(=NNC(=O)N=c1cc[nH]cc1)c1ccc2c(c1)CCC(=O)N2	815002426	ALKOMXATIYCITO-UHFFFAOYSA-N	323.356	1.934	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC[C@@H](c2nc[nH]n2)C1	819723664	FBNGDBCQUHBSFE-BDAKNGLRSA-N	315.215	1.930	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)C1)c1c(Cl)cccc1Cl	727779032	MGURXMWGFCGUEP-UHFFFAOYSA-N	321.185	1.898	50	20	DDGD	
CN1Cc2ccccc2[C@H](NC(=O)/C(C#N)=C\c2cnn(C)c2)C1	827783552	MYLIWWGISGMZAK-IJZIWBRISA-N	321.384	1.630	50	20	DDGD	
CCN(CCO)NC(=O)[C@H](O)c1ccc(C(F)(F)F)cc1	823829814	YFINIWIXBMKAJC-LLVKDONJSA-N	306.284	1.084	50	20	DDGD	
CN(NS(=O)(=O)Cc1ccccc1)C(=O)OC(C)(C)C	496889991	GRZJTSKCRQDMNW-UHFFFAOYSA-N	300.380	1.888	50	20	DDGD	
CCc1ccc(CC(=O)NNC(=O)CCc2ccccc2)nc1	825089934	KZCSIXMMOAAITB-UHFFFAOYSA-N	311.385	1.967	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@H](c2cccnc2)C1	829519045	RLTJHWQONKFRTH-ZFWWWQNUSA-N	318.421	1.453	50	20	DDGD	
COc1ccc(C)c2c1N(CC(=O)NNC(=O)C(C)C)CCC2	828281283	QEUFEHAYWJPOOX-UHFFFAOYSA-N	319.405	1.560	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)c1cc(Cl)ccc1O	491745349	OUIRDLLHNZMKRE-UHFFFAOYSA-N	302.721	1.639	50	20	DDGD	
Cc1csc([C@@H](C)C(=O)NNC(=O)Cc2cccnc2)n1	826123033	CQUDEDUYMNRWED-JTQLQIEISA-N	304.375	1.340	50	20	DDGD	
COc1cccn2ncc(C(=O)NN(C)C(=O)OC(C)(C)C)c12	822507058	NDHNYENBUALWCD-UHFFFAOYSA-N	320.349	1.855	50	20	DDGD	
CN(NC(=O)[C@@H](O)CCc1ccccc1)C(=O)OC(C)(C)C	495932282	SINCHELRZOKPFD-ZDUSSCGKSA-N	308.378	1.878	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(-c2cnn(C)c2)ccc1F	823935365	QIDAIRZOUNOABI-JTQLQIEISA-N	306.341	1.184	50	20	DDGD	
CC(=O)CCc1ccc(OCCC(=O)NN(C)[C@@H](C)CO)cc1	823965697	SPAYRJIQPXTLSC-ZDUSSCGKSA-N	322.405	1.321	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1ccc(C(=O)O)cc1	821451882	PFWCJKYFLQKVBO-UHFFFAOYSA-N	303.274	1.122	50	20	DDGD	
CCN(CCO)NC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1	823864992	GBFWCJXPIUJXLX-MRXNPFEDSA-N	323.412	1.526	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NN=C[C@@H]1CCCOC1	495649258	BVKCGKBZQJNTDY-LBPRGKRZSA-N	313.398	1.820	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCc1ccc(OC(F)F)cc1	823976175	AGUKNJUSKORSMX-JTQLQIEISA-N	302.321	1.564	50	20	DDGD	
CC[C@H](O)[C@@H](C)C(=O)NNc1cccc(Br)n1	909545333	DGEKQWIMPKWSHJ-SFYZADRCSA-N	302.172	1.694	50	20	DDGD	
C[C@H]1CC(=NNC(=O)CNC(=O)OC(C)(C)C)CN1C1CC1	494538761	KAPJIRFZVWUQIU-JTQLQIEISA-N	310.398	1.240	50	20	DDGD	
CCSc1ccc([N+](=O)[O-])cc1C(=O)NN(C)[C@H](C)CO	823939938	RRGOPKPDIYMODT-SECBINFHSA-N	313.379	1.664	50	20	DDGD	
COc1ccc(C(=O)NN(C)[C@H](C)CO)cc1-c1ccccn1	823939698	OMNQKUYKJONOGV-GFCCVEGCSA-N	315.373	1.715	50	20	DDGD	
Cc1cc(NNC(=O)CC2CN(C(=O)OC(C)(C)C)C2)ncn1	493203782	XOZFMSCVJUSJMI-UHFFFAOYSA-N	321.381	1.485	50	20	DDGD	
O=[N+]([O-])c1cccc(Br)c1N1CC[C@H](B(O)O)C1	900965671	MTGSZHJZKFQLGY-ZETCQYMHSA-N	314.932	1.410	50	20	DDGD	
O=C(CCSc1ccccc1Br)NCB(O)O	585062982	YDAIXAXFZZFOJZ-UHFFFAOYSA-N	318.001	1.060	50	20	DDGD	
COCCOC1CN(C(=O)/C(C#N)=C/c2ccc(O)cc2)C1	491011153	NZIQLTANXLTRHU-MDWZMJQESA-N	302.330	1.173	50	20	DDGD	
COc1ccc(C=NNC(=O)CN(C)C)c(OC(F)F)c1	734096184	JMRIVGFGBXSSKP-UHFFFAOYSA-N	301.293	1.308	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc2c(c1)OCC(=O)N2C	490877474	MERXGGGRTIQGQV-CSKARUKUSA-N	301.302	1.424	50	20	DDGD	
C[C@@]1(C(=O)NC2CCC3(CC2)OCCO3)C[C@H]1Br	906243092	KAFRXULHQOBAHZ-ZYHUDNBSSA-N	318.211	1.962	50	20	DDGD	
CCCc1nc(C)c(C(=O)Nc2cccc(B(O)O)c2)s1	584909882	JMVGLCXVROPYEY-UHFFFAOYSA-N	304.180	1.336	50	20	DDGD	
OC[C@H](CNCc1ccccc1B(O)O)CC1CCCCC1	585037820	KYOUEBJQMJQRPF-HNNXBMFYSA-N	305.227	1.035	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCC[C@H]1C1CCCCC1	584931858	JPAGMDCHDNPDRZ-INIZCTEOSA-N	301.195	1.551	50	20	DDGD	
OB(O)c1ccccc1CN[C@H](CC(F)F)c1ccccc1	585048190	KNQIELBBFJHLLI-OAHLLOKOSA-N	305.133	1.853	50	20	DDGD	
CCCc1cnc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)s1	831616713	KTMDJRYZPCDLQM-WPRPVWTQSA-N	312.395	1.673	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccnc(C(F)(F)F)c1	833236551	SQPZSQGMVQDCQK-VIFPVBQESA-N	317.267	1.431	50	20	DDGD	
COc1cccc(S(=O)(=O)NNC(=O)CC(C)C)c1OC	901838353	YXLQONJNUDPAGT-UHFFFAOYSA-N	316.379	1.059	50	20	DDGD	
CON1CCC(=NNC(=O)Cn2c(C)nc3ccccc32)CC1	834925819	RUQSXCIWXSCLGL-UHFFFAOYSA-N	315.377	1.474	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(CC)cc2)C1	838748364	GWFWRUMFYSJCLN-OKILXGFUSA-N	305.378	1.761	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)c1cc(Cl)ccn1	730782004	DKXADNIWMKMIQY-UHFFFAOYSA-N	321.720	1.281	50	20	DDGD	
CCSCC[C@H](C)N(C)C(=O)c1ccc(B(O)O)c(F)c1	584954199	JHJGGWJYCFOSPW-JTQLQIEISA-N	313.203	1.109	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)CC(F)(F)F)cc1	917595957	JXJVQSUOVVLDLQ-UHFFFAOYSA-N	307.297	1.965	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccccc1Oc1cccnc1	910168693	QDXPNRHJCYXRSM-GFCCVEGCSA-N	301.346	1.831	50	20	DDGD	
CC(C)Oc1ncccc1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	831307113	RVKUXLFQVCNTQA-MNOVXSKESA-N	322.365	1.447	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNc1cccc(C(=O)OC)c1F	838675389	JAHUFDMUHLTRJK-PWSUYJOCSA-N	323.324	1.582	50	20	DDGD	
COc1ccc(O)c(C(=O)NNc2ccccc2C(=O)O)c1	833733471	QQYYIBWQXZIHIW-UHFFFAOYSA-N	302.286	1.856	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	839748323	JEMQJQBIPUDTOT-MRVPVSSYSA-N	312.301	1.325	50	20	DDGD	
C[C@]1(C(=O)Nc2csc(C(N)=O)c2)C[C@@H]1Br	913720172	BZABXFBNENLFQH-XVKPBYJWSA-N	303.181	1.959	50	20	DDGD	
CNC(=O)NCC(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	912583117	UNRCYPHLQNDCNL-LLVKDONJSA-N	315.490	1.538	50	20	DDGD	
CC(C)(C)OC(=O)CCCNC(=O)NNC(=O)c1ccc[nH]1	745931599	PVNXGSKMMOQMHA-UHFFFAOYSA-N	310.354	1.081	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CSc1ccc(C#N)cc1	843649613	VYSRGVYZZPFKLY-MFKMUULPSA-N	319.386	1.223	50	20	DDGD	
CCOc1ccc(CCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	843650057	ZDUMNKRSMUTFNM-SWLSCSKDSA-N	320.389	1.590	50	20	DDGD	
NC1CCC(NC(=O)NNc2ncnc3ccsc23)CC1	841943673	MWXRTQDQGVIAMT-UHFFFAOYSA-N	306.395	1.587	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc3c(nc2O)CCC3)n1	746633167	PLTFAUACDWFFFI-UHFFFAOYSA-N	315.333	1.140	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1c(C)nn(C)c1Cl	740763602	MKJBYNGDXHDRPX-UHFFFAOYSA-N	313.789	1.137	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccncc2)on1)c1ccccn1	916733635	ACYWUVLPTVHFBX-UHFFFAOYSA-N	309.285	1.206	50	20	DDGD	
COc1ccnc(NNC(=O)Cc2ccc(C(C)=O)cc2)n1	917099516	GZRNXPXINCVEML-UHFFFAOYSA-N	300.318	1.374	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H](CCN)C(F)(F)F)cc1	841334971	LZTAIXYCMLAZKC-LLVKDONJSA-N	320.315	1.991	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCN(C(C)(C)C)CC1	1330368112	VWBRFFULLOBRSV-UHFFFAOYSA-N	310.891	1.997	50	20	DDGD	
CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)c1c[nH]nc1C	749383473	YUWYCILQFMOECJ-CQSZACIVSA-N	316.361	1.645	50	20	DDGD	
COCC1(CC(=O)NNC(=O)CNc2ccc(OC)cc2)CC1	844129347	YBFFBCRFIURRGR-UHFFFAOYSA-N	321.377	1.071	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](C1CC1)C1(CO)CCOCC1	911982891	OUJCRCPNSGTFJE-ZVHGMHCTSA-N	308.378	1.114	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1	843657778	RWKFKRQAOMNUFB-IGJVIKARSA-N	306.337	1.502	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)NCC(F)(F)F)cc1O	847115786	LWHZFONKNSKVNS-UHFFFAOYSA-N	319.239	1.101	50	20	DDGD	
O=C(O)Nc1cccc(C(=O)NNC(=O)NC2CCCC2)c1	740034066	QYYIIDVGOWRAQP-UHFFFAOYSA-N	306.322	1.663	50	20	DDGD	
C[C@H](C#N)Oc1ccc(C=NNC(=O)[C@H]2CCO[C@@H]2C)cc1	842554043	IJAKZOAOENKPSQ-JMSVASOKSA-N	301.346	1.853	50	20	DDGD	
Cc1nc(O)[nH]c1C(=O)NNC(=O)C(C)(C)c1ccccc1	847475225	DJCUKAXIPWBNLB-UHFFFAOYSA-N	302.334	1.163	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)COc1ccc(Br)cc1	910183395	QFPPWIONWBWTSS-SECBINFHSA-N	317.183	1.172	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1ccncc1)C1CCC(O)CC1	841376699	ZSULFYJUQQJKBN-UHFFFAOYSA-N	305.378	1.420	50	20	DDGD	
CC(C)(O)[C@H](O)C(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	912583440	WQUSLCGRLFIQEF-NWDGAFQWSA-N	317.502	1.741	50	20	DDGD	
CCOc1ccccc1C(C)=NNC(=O)CN1CCCC1=O	916357629	BKUPNOYNZNGARE-UHFFFAOYSA-N	303.362	1.548	50	20	DDGD	
Cn1nc(C(=O)NN=Cc2ccc(O)cc2)c2ccccc2c1=O	916316097	LPYANRAZDJQQQN-UHFFFAOYSA-N	322.324	1.403	50	20	DDGD	
NC[C@@H](NC(=O)NNC(=O)Nc1ccc(Cl)cc1)C1CC1	841945242	BSAWDWMBHARCMT-LLVKDONJSA-N	311.773	1.413	50	20	DDGD	
CCn1nc(C(=O)NNc2ccc(Cl)c(F)c2)ccc1=O	746698357	BVSHCCMCFWSEDE-UHFFFAOYSA-N	310.716	1.813	50	20	DDGD	
CNc1nccc(C(=O)NCCSSC)c1[N+](=O)[O-]	848053972	XXYUCUXDYIGSTN-UHFFFAOYSA-N	302.381	1.773	50	20	DDGD	
COc1ccc2cc(NC(=O)NNC(=O)CCCN)ccc2c1	841240466	UVAGLKWGRDQOHO-UHFFFAOYSA-N	316.361	1.740	50	20	DDGD	
CCc1ncncc1C(=O)NNC(=O)c1cccc2cccnc12	747422810	YLLQMSYJCCKSTK-UHFFFAOYSA-N	321.340	1.662	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)c1nnc(-c2ccccc2)o1	749768181	QWBSIYCYVUKQBA-VIFPVBQESA-N	319.390	1.644	50	20	DDGD	
CC(C)[C@H]1C[C@@H](C(=O)NNC(=S)NC(C)(C)C)CCO1	929430144	WNTSDYJDVRFXJK-WDEREUQCSA-N	301.456	1.731	50	20	DDGD	
CN1CCC[C@H]1C(=O)NNC(=O)Cc1cccc2ccccc12	748526468	HUEUZAZNKPXDPA-INIZCTEOSA-N	311.385	1.624	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccc(C(N)=O)o2)o1	747403437	KXTIELKWTJKIQE-UHFFFAOYSA-N	303.278	1.118	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCCO2)c1cncc(F)c1	759122292	XLWFPRTWNYTUKR-UHFFFAOYSA-N	317.276	1.067	50	20	DDGD	
COCCCOCCC(=O)NNc1cc(C(F)(F)F)ccn1	854676863	CAYJFTNOEUFTFD-UHFFFAOYSA-N	321.299	1.987	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)C[C@H]2CCCC[C@@H]2C)n1	920430168	NEEPKUZAPZJFKK-SMDDNHRTSA-N	306.410	1.864	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C[C@@H]2CCC(=O)N2C)ccc1F	854854391	URGJMDIVQJZJRC-JTQLQIEISA-N	323.324	1.066	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NC[C@@]1(C)C[C@H]1Br	857402029	COYHJXYDYXKABC-PRHODGIISA-N	305.216	1.438	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCc1nnc(C2CCCC2)o1	854922819	IFXDCYSFSRFSEE-UHFFFAOYSA-N	311.411	1.127	50	20	DDGD	
COc1ccccc1C(=O)NN=C1C(=O)Nc2c(F)cccc21	753959009	CQGVWXXWMKJKBF-UHFFFAOYSA-N	313.288	1.921	50	20	DDGD	
Cc1ccc(NNC(=O)NCCN2CCc3ccccc32)nn1	926798033	QYZKUJCFWDNFDT-UHFFFAOYSA-N	312.377	1.474	50	20	DDGD	
CC(C)C[C@H](CNC(=O)NNC(=O)c1ccccc1)CC(=O)O	851653716	YNIZXQSHRUANGP-LBPRGKRZSA-N	321.377	1.768	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCC(=O)NCC1CCC1	754545795	KZXSJQPPDMXSJH-ZSOIEALJSA-N	314.341	1.759	50	20	DDGD	
COCCOCCN(C)C(=O)NC[C@]1(C)C[C@@H]1Br	856958876	PBJZNSCOFBTSEN-JQWIXIFHSA-N	323.231	1.464	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccccc1[S@](=O)C(F)(F)F	929189099	NCJUEKCIDGOYRA-NRFANRHFSA-N	324.280	1.705	50	20	DDGD	
CC[C@@H](CN1CCCC1)NC(=O)NNc1nc(C)cc(C)n1	758849460	WNPCKJQNYTYQSF-ZDUSSCGKSA-N	306.414	1.594	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=C1CCCN(C)CC1	758094727	FXJVFNNZVAUWOG-UHFFFAOYSA-N	313.405	1.933	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)CCc1ccon1	856724586	ODNWVIBKWDJZBC-UHFFFAOYSA-N	317.345	1.396	50	20	DDGD	
COc1cccc([C@@H](OC)C(=O)NNc2cc(C)nc(C)n2)c1	857131302	UZSFCRKTMLWCDQ-OAHLLOKOSA-N	316.361	1.933	50	20	DDGD	
CC1=C(C(=O)NNC(=S)NCC2CCC2)SCCO1	855090475	XGBFSLNLUWRDBL-UHFFFAOYSA-N	301.437	1.277	50	20	DDGD	
C[C@@H](C(=O)NC(N)=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	852522251	HOFCANKNBJSIHX-QWRGUYRKSA-N	315.490	1.666	50	20	DDGD	
C[C@H]1CCCC[C@H]1CC(=O)NNC(=O)CNC(=O)c1ccco1	751203968	UDUFGUIUXIHAAM-RYUDHWBXSA-N	321.377	1.373	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNC(=O)c2c[nH]nc2C)cc1	755317709	SLWIYQGMXHYKGE-UHFFFAOYSA-N	301.306	1.387	50	20	DDGD	
CC(C)(C(=O)NC[C@]1(C)C[C@@H]1Br)N1CCOCC1	857391057	KUEWVRJGDFXVTD-GWCFXTLKSA-N	319.243	1.387	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H](C=NNC(=O)c1cc[nH]n1)CC1CC1	853391497	OQZJBPGIIDFJSU-LLVKDONJSA-N	321.381	1.819	50	20	DDGD	
CC[C@@](C)(NC(=O)NNC(=O)Cc1cccnc1)C(F)(F)F	933515617	KCEVZZRLHBRCAT-GFCCVEGCSA-N	318.299	1.686	50	20	DDGD	
O=C(NNc1ccccc1C(F)(F)F)c1ccc2nnnn2c1	758161706	HHQGYTLCCRJBDA-UHFFFAOYSA-N	322.250	1.900	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1c(F)cccc1-n1cccn1	854668201	YTTQYJWCUXTIFQ-UHFFFAOYSA-N	302.309	1.573	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cccc3c2OCCO3)o1	756149318	CSUSEADMMOXWFV-UHFFFAOYSA-N	317.301	1.826	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)CC[C@@H]1CC[C@@H](C)O1	854282646	OXCLDOJDXKYTRJ-NEPJUHHUSA-N	317.455	1.208	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc(C#N)cc2Cl)n[nH]1	757727580	UJGGWVBDPDUOQL-UHFFFAOYSA-N	318.724	1.710	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(-c2nccs2)cc1	755449150	AOINXROEEVKYBA-UHFFFAOYSA-N	306.347	1.609	50	20	DDGD	
Cc1nc(CC(=O)NNC(=O)c2ccc(C)c(O)c2)cs1	753773209	SVLVOWLFRLLKFX-UHFFFAOYSA-N	305.359	1.469	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cc(O)nc2ccc(F)cc12	760912267	PYLDAIKLCUZIHQ-UHFFFAOYSA-N	317.255	1.766	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1cc(C(=O)O)ccc1F	865213740	GNBOUKUZUDKRDM-UKTHLTGXSA-N	320.320	1.974	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1csc(NC2CC2)n1	768970284	QCPPGSXPRIYREN-UHFFFAOYSA-N	308.285	1.431	50	20	DDGD	
Cc1cc(C(=O)NN[C@@H](C)C(F)(F)F)c2c(C)nn(C)c2n1	862306384	KDNAWRRFCMNYAZ-QMMMGPOBSA-N	315.299	1.770	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CCCc2ccc(C)s2)n[nH]1	869014418	SFBLLPOSAGAXOU-UHFFFAOYSA-N	320.418	1.801	50	20	DDGD	
CO[C@]1(CNC(=O)NNc2cc(F)c(F)c(F)c2)CCOC1	764810418	PEKYMJLNXIFSKI-ZDUSSCGKSA-N	319.283	1.536	50	20	DDGD	
Cc1cccc(NNC(=O)C2(NC(=O)OC(C)(C)C)CC2)n1	862522563	YONIKYAVRBIVMK-UHFFFAOYSA-N	306.366	1.890	50	20	DDGD	
CC(C)n1cnnc1SCC(=O)NN[C@H](C)C(F)(F)F	862308070	XDPIVVZQIWOEHJ-SSDOTTSWSA-N	311.333	1.523	50	20	DDGD	
C=CCN(CC(=O)OCC)S(=O)(=O)CC(C)(C)CCl	866643451	IFNXJROZRLUKLC-UHFFFAOYSA-N	311.831	1.632	50	20	DDGD	
CC1(CCC(=O)NNC(=O)Cc2cn3ccccc3n2)CC1	933998986	FINJQKRVYJOZCS-UHFFFAOYSA-N	300.362	1.605	50	20	DDGD	
CN(CCNC(=O)/C(C#N)=C\c1ccc(O)cc1)CC(F)F	863810762	VLDYRNNRTJOZKK-WQLSENKSSA-N	309.316	1.612	50	20	DDGD	
COc1ccc(NNC(=O)c2ccnc(O)c2)c([N+](=O)[O-])c1	769313480	ZCTDOWYZUCNQNO-UHFFFAOYSA-N	304.262	1.461	50	20	DDGD	
C[C@H]1CC(=NNC(=O)Cc2cc(O)nc(S)n2)CC[C@H]1C	767359831	JGBNTNHFRVMALE-BDAKNGLRSA-N	308.407	1.942	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@H](F)c2ccccc2)n1	768966374	NXJLTPZXNXSNSU-CQSZACIVSA-N	304.325	1.358	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(CC)C[C@@H](O)c1ccc(C)cc1	764282184	DDRDFDNPDHKWJF-UKRRQHHQSA-N	321.421	1.296	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1C[C@H](OC(C)C)C1(C)C	764910953	WPMOMEVCVCFQOA-ZDUSSCGKSA-N	311.426	1.987	50	20	DDGD	
OB(O)c1ccc(CNCCC[C@@H]2CC2(Cl)Cl)cc1	863890125	NBARSOVQBKGAEV-LLVKDONJSA-N	302.010	1.430	50	20	DDGD	
COCc1ncsc1C(=O)NNc1nc2ccccn2n1	1117146787	JAWINZVPQLHJLF-UHFFFAOYSA-N	304.335	1.089	50	20	DDGD	
COc1nccnc1NNC(=O)c1cnc2ccsc2c1	764470454	QWVORAHZMMUFBC-UHFFFAOYSA-N	301.331	1.852	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N2CC=CCC2)C[C@@H]1Br	1118763774	JOEINSYHQONPFH-JOYOIKCWSA-N	301.184	1.065	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(C)(C)Cc1ccccc1OC	768409617	IRHANZMFZNMDKY-UHFFFAOYSA-N	307.394	1.956	50	20	DDGD	
COc1cc(CCNC(=O)NN=c2cc[nH]c(C)c2)ccc1O	875292369	XVZMVZWBMZBGGC-UHFFFAOYSA-N	316.361	1.395	50	20	DDGD	
O=C(CN1CCCC1=O)NN=CCc1ccc(F)cc1Cl	766429636	DHWZANXKIQLKIJ-UHFFFAOYSA-N	311.744	1.746	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@](C)(O)CCC)c1	874950859	XDNAYVBGGHMQEG-HNNXBMFYSA-N	305.403	1.537	50	20	DDGD	
CCOCc1cccc(NC(=O)NNC(=O)C2CCOCC2)c1	878548971	ZXWGDFWZNJNZNP-UHFFFAOYSA-N	321.377	1.802	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccc(OC(F)F)c(F)c1	875621688	BUMHLNAJOFZCLQ-UHFFFAOYSA-N	321.255	1.840	50	20	DDGD	
O=C(O)[C@H]1CCN(C(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)C1	777366317	BLHGVFVNSMIRNN-QISWUMQESA-N	316.195	1.873	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2	775530677	VZEIXZLFICUGME-UHFFFAOYSA-N	313.313	1.540	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2CCC(=O)NC2)cc1C	873764381	BYQPQBORUCSHNZ-LLVKDONJSA-N	320.418	1.147	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CO[C@@H]1CCOC1)c1ccccc1	1116193757	HNOJBSODHXRPCR-ZIAGYGMSSA-N	306.362	1.133	50	20	DDGD	
Cn1ccc(NC(=O)NC[C@]2(C)C[C@@H]2Br)cc1=O	879784561	OISOPUMTKWEIQZ-CABZTGNLSA-N	314.183	1.680	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1	878309423	CGVZVNQBJWKIDT-UHFFFAOYSA-N	322.409	1.830	50	20	DDGD	
CN(C)CC(=O)NNC(=O)CCc1ccccc1C(F)(F)F	878681679	XIKINAKDICFNFZ-UHFFFAOYSA-N	317.311	1.347	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)C(F)(F)C1(O)CCC1	772843091	FMBWJYKLUPKGHJ-UHFFFAOYSA-N	300.309	1.593	50	20	DDGD	
C[C@H]1CCCC[C@@H]1OCCNC(=O)CN1CC=C(C#N)CC1	779588331	YIEJCNXQLJWJPC-HOCLYGCPSA-N	305.422	1.854	50	20	DDGD	
O=C(NNc1nccc(N2CCOCC2)n1)C1CCC=CCC1	879172917	XQHXUTTYVKEBCG-UHFFFAOYSA-N	317.393	1.503	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)C(=O)Nc1ccc(F)cn1	1116822519	YNLIHZOOVOCOBH-UHFFFAOYSA-N	318.312	1.216	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@@H]1CCc2ccccc21	772134268	ATSHYLNUBVHICB-AAEUAGOBSA-N	318.373	1.596	50	20	DDGD	
O=C(COc1ccc(Cl)cc1)NNC(=O)[C@H]1CCCCO1	772045882	HUERUDCAODXCEU-GFCCVEGCSA-N	312.753	1.435	50	20	DDGD	
CCc1ccc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)cc1	771893035	QKAGHYXLOAINIY-LBPRGKRZSA-N	320.389	1.988	50	20	DDGD	
CCCN1CCC[C@H]1CNC(=O)NNC(=O)c1cc(C)cs1	875578331	GORRCGJYWXFFTJ-LBPRGKRZSA-N	324.450	1.875	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc(C(=O)N(C)C)cc1F	880643009	YRHSOHRKIQDCFK-UHFFFAOYSA-N	310.329	1.336	50	20	DDGD	
CC(=O)c1cc(C(=O)NNc2ncc(F)cn2)c(C)nc1C	777173735	MJWZQIQRKAPDJW-UHFFFAOYSA-N	303.297	1.587	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2cccc(C#N)c2)c(O)n1	773698446	HUEFUBBLBDDGDM-UHFFFAOYSA-N	311.301	1.049	50	20	DDGD	
COC(=O)C1(CNC(=O)[C@H](Br)C(C)(C)C)CC1	777398818	KOCLTNJQGQACPI-QMMMGPOBSA-N	306.200	1.865	50	20	DDGD	
Cc1cccc(C[C@@H](CO)NS(=O)(=O)CCCCl)c1	882114674	STVCAWPQVODHNX-ZDUSSCGKSA-N	305.827	1.447	50	20	DDGD	
CC(C)CN1C[C@H](C(=O)NNc2cc(F)ccc2F)CC1=O	885146252	QICZHEGFRDIXGQ-SNVBAGLBSA-N	311.332	1.912	50	20	DDGD	
C[C@@H](CCc1cccc(F)c1)C(=O)NNC(=O)C1CCOCC1	883065026	XGBGYOCDYHUIFG-LBPRGKRZSA-N	322.380	1.968	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCCc1ccccc1C(=O)OC	886296507	QMGWQDMQFBEHST-QBFSEMIESA-N	302.330	1.576	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc(OC2CCC2)cc1	883064999	WMGQYVZJBJFSNP-UHFFFAOYSA-N	318.373	1.806	50	20	DDGD	
C[C@]1(C(=O)NNc2nnc(-c3ccccn3)s2)CCOC1	788563950	XLDWUSMXGNFOLD-ZDUSSCGKSA-N	305.363	1.470	50	20	DDGD	
Cc1oc(C(=O)N2CC=C(C#N)CC2)cc1S(=O)(=O)N(C)C	780687439	UVPMBODMBOIYFU-UHFFFAOYSA-N	323.374	1.134	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CCC2(CCCO2)CC1	788020751	TZDIORBAZLHPFS-UHFFFAOYSA-N	309.410	1.887	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1cc(Cl)c2c(c1)OCCCO2	785460109	IZHBSGAHUCPCOC-UHFFFAOYSA-N	312.753	1.722	50	20	DDGD	
CN(Cc1nc2ccccc2[nH]1)S(=O)(=O)CCCCl	881777862	PZYHMKKSZKNSME-UHFFFAOYSA-N	301.799	1.953	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNC(=O)C1CCCC1)c1ccnn1C	788319806	OXIBUBKDYYSMLZ-CYBMUJFWSA-N	321.425	1.680	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](C)NC(=O)CC1CCCCC1	780711827	OGBOZUIFQULWMV-NSHDSACASA-N	312.414	1.154	50	20	DDGD	
CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)CCCCCl)C1	780822319	VTPRDXHYQZWFMO-LBPRGKRZSA-N	310.847	1.135	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2C[C@H](OC)C2(C)C)c1	780839669	FREOOLRCTSMLQO-OLZOCXBDSA-N	321.377	1.913	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@H]1CN1CCC(C(N)=O)(N2CCCCC2)CC1	896003595	ZMGKLVZPPDDDJB-IHRRRGAJSA-N	313.873	1.666	50	20	DDGD	
CC1(C)COc2c(C(=O)NNC(=O)c3ccncc3)cccc21	789868238	VFMMIBVZUTUICO-UHFFFAOYSA-N	311.341	1.826	50	20	DDGD	
O=C(NN=Cc1cnc2cnc(Br)cn12)C(F)F	782235341	BUTLKAOBNZBWSJ-UHFFFAOYSA-N	318.081	1.207	50	20	DDGD	
O=C(O)CCC(=O)NCCOCCOCCCCCCCl	213999879	IQTNPKHPETVRCU-UHFFFAOYSA-N	323.817	1.800	50	20	DDGD	
CCOc1ccc(CCCC(=O)NNC(C)=O)cc1OCC	895476783	IYMJIUSIUBIEMY-UHFFFAOYSA-N	308.378	1.974	50	20	DDGD	
Cn1cc2c(n1)CCC[C@H]2C(=O)NN=c1cc[nH]c2ccccc12	799101011	SHLGKOHCQUUFSG-GFCCVEGCSA-N	321.384	1.953	50	20	DDGD	
Cc1oc(C#N)cc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	797785220	XFYXIHLSFRWGMQ-UHFFFAOYSA-N	314.257	1.443	50	20	DDGD	
CC[C@@H]1CCC[C@H]1NCC(=O)NNC(=O)c1ccc(C#N)cc1	794576288	RSPSTPDHVOBDAX-UKRRQHHQSA-N	314.389	1.488	50	20	DDGD	
CSSCCNC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C	790874898	BBRNZPCJCXOSNH-NSHDSACASA-N	321.512	1.484	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C1CCC[C@@H]1CCF	794917814	JGSJPPXNIMMKAW-LLVKDONJSA-N	306.341	1.443	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)c1ccc(OC)c(OC)c1	794607855	ALLGGVSOFRRXIC-UHFFFAOYSA-N	317.345	1.669	50	20	DDGD	
O=S(=O)(CCCCCl)NCCCO[C@@H]1CCCCO1	798223146	BAHBJYYLFNQQTD-GFCCVEGCSA-N	313.847	1.858	50	20	DDGD	
COc1ncc(C)cc1NC(=O)C(=O)NNc1ncccc1C	792374684	DHKPFRRGDGBAHK-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	792893408	UNURUKJUTMWZCP-YGRLFVJLSA-N	322.361	1.280	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)c1cc(C)nc2ccccc12)C(C)C	799007374	XWWCPAKCSVKJGA-OAHLLOKOSA-N	315.373	1.975	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CCC[C@H](c2ccnn2C)C1	790291503	WRXODZXLNGIOCO-NSHDSACASA-N	305.382	1.075	50	20	DDGD	
Cc1ccccc1C(=O)NNS(=O)(=O)CCc1cccs1	790004267	DVFVFAKBHQHKPJ-UHFFFAOYSA-N	324.427	1.863	50	20	DDGD	
C[C@@H](Oc1ccc(C=NNC(=O)c2ccncc2)cc1)C(=O)O	794856626	NTLVOEWMACMZBA-LLVKDONJSA-N	313.313	1.697	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)C(=O)NNc1nncc(N)c1Cl	1319219877	NMTJIJQFILVXAG-RXMQYKEDSA-N	310.745	1.564	50	20	DDGD	
CC(=NNC(=O)CCO)c1cccc(OCCCC(=O)O)c1	1326241101	VLJKZIJXVVAJES-UHFFFAOYSA-N	308.334	1.153	50	20	DDGD	
CCn1ccnc1C(=O)NNC(=O)c1cncn1-c1ccccc1	1326048840	RUJPPUHJANMEDS-UHFFFAOYSA-N	324.344	1.164	50	20	DDGD	
O=C(NCc1ccc2occc2c1)NNC(=O)C1CCNCC1	1327817722	CNEJCAZOINCWRB-UHFFFAOYSA-N	316.361	1.263	50	20	DDGD	
Cc1coc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1C	1322037367	RAJUMBOKEQIBAW-ZDUSSCGKSA-N	316.313	1.497	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1cccnc1C(F)(F)F	1324452569	PTCFDZBPQRNQDZ-UHFFFAOYSA-N	323.238	1.524	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2cc[nH]n2)c(C)n1CC1CC1	1325321426	OXKIVNNCELSSLJ-UHFFFAOYSA-N	315.377	1.242	50	20	DDGD	
Cc1ncncc1C(=O)NNc1ccnc(Br)c1	1320660615	LVXJTZQAGJPWMD-UHFFFAOYSA-N	308.139	1.699	50	20	DDGD	
CC1(C)CN(C(=O)C(=O)NC[C@@]2(C)C[C@H]2Br)C1	1331101718	PDZMYCUWKMRWIV-PRHODGIISA-N	303.200	1.145	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1ccccc1C(C)C	1330956396	YTYZESRQQDHRMC-UHFFFAOYSA-N	319.405	1.876	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc(C(C)C)on2)cc1	1336411791	KDKNXNIQNFIOHI-UHFFFAOYSA-N	303.318	1.881	50	20	DDGD	
CC(C)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)c2cn[nH]c2)CC1	1334930565	LUYNFLTZULGAQA-DGCLKSJQSA-N	307.398	1.959	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)C1CCOCC1)O[C@H](C)C2	1336995608	RNPAAFKXAHBXEV-LLVKDONJSA-N	318.373	1.895	50	20	DDGD	
O=C(CCc1cccc(O)c1)NNC(=O)NCC(F)(F)F	1349811205	YFCZCYLRBMIZIW-UHFFFAOYSA-N	305.256	1.218	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCc2cccc(O)c2)n1	1527934618	ZTLKPGQOHKSKFV-UHFFFAOYSA-N	302.334	1.575	50	20	DDGD	
CC(C)c1ccc([C@H](NC(=O)NNC(=O)C(=O)O)C(C)C)cc1	1603994918	QIGHEYLLZNGXCL-CYBMUJFWSA-N	321.377	1.922	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(C(=O)O)cc2)cc1	1604763775	APLGXUOZKGYZFG-UHFFFAOYSA-N	314.297	1.468	50	20	DDGD	
O=C(NNC(=O)[C@]1(C(=O)O)C[C@@H]1c1ccccc1)C1CCCC1	1601552725	FTYNWWYAPHFARP-DYVFJYSZSA-N	316.357	1.583	50	20	DDGD	
O=C(Cc1nc(C2CC2)n[nH]1)NNc1ccc(C(=O)O)cc1F	1601375618	UHMIWBSBFXPWSN-UHFFFAOYSA-N	319.296	1.205	50	20	DDGD	
O=C(O)c1nc(C(=O)N2C[C@H]3[C@H](Br)[C@H]3C2)cs1	1608996157	ZYDSNFGYEMYHCG-KCQQBQQISA-N	317.164	1.307	50	20	DDGD	
CCn1nncc1CNC(=O)NNc1cccc(C(=O)O)c1C	1605947087	SVJINFIWXSQNPJ-UHFFFAOYSA-N	318.337	1.131	50	20	DDGD	
O=C(NCC1=CCOCC1)NNc1ccc(C(=O)O)c(F)c1	1608432047	GZGAJHRNNVRLHG-UHFFFAOYSA-N	309.297	1.497	50	20	DDGD	
CC(C)C#CC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1603193279	RNUPDIMYBRGODG-UHFFFAOYSA-N	303.326	1.081	50	20	DDGD	
O=C(NN=Cc1ccc2cnccc2c1)[C@H]1CN2CCC[C@H]2CO1	1549318385	BTXWLJOQJIPVPL-DLBZAZTESA-N	324.384	1.548	50	20	DDGD	
Cc1ccc(CCC=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)cn1	1549319483	HZZFKVQZMHUIAE-HOTGVXAUSA-N	316.405	1.288	50	20	DDGD	
O=C(NN=Cc1nccc2ccccc12)[C@H]1CN2CCC[C@H]2CO1	1549315972	DIXPRLKGIZKZHK-WMLDXEAASA-N	324.384	1.548	50	20	DDGD	
O=C(NN=Cc1ccc2[nH]ccc2c1)[C@@H]1CN2CCC[C@H]2CO1	1549320302	LRCIYWVSSGJOCO-HOCLYGCPSA-N	312.373	1.481	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)OCC(F)(F)F)[C@@H]1CCCNC1	1575924963	BTDSIVXSARXYFB-DTWKUNHWSA-N	311.304	1.332	50	20	DDGD	
C[C@H](OCc1ccccc1)[C@@H](N)C(=O)NNC(=O)OC(C)(C)C	1579486629	IDAASTYSMQWIPG-WCQYABFASA-N	323.393	1.475	50	20	DDGD	
CC(C)c1cccc(OCC(=O)NNC(=O)[C@@H]2CCCNC2)c1	1575859878	UJQFOUGLFHJMPM-CQSZACIVSA-N	319.405	1.336	50	20	DDGD	
CC1(C)C[C@@]1(C(=O)O)C(=O)NNC(=O)c1ccc(Cl)cc1	1589219220	JMGLDNDCJRMWNI-AWEZNQCLSA-N	310.737	1.602	50	20	DDGD	
CC(=NNC(=O)c1cccc(C)n1)c1cccc(-c2nn[nH]n2)c1	1588776634	YWAUHOZVXSZMNV-UHFFFAOYSA-N	321.344	1.724	50	20	DDGD	
O=C(C[C@H]1CNc2ccccc21)NNC(=O)OCC(F)(F)F	1580517669	MRGGVTXZXPFDED-QMMMGPOBSA-N	317.267	1.906	50	20	DDGD	
CC(=NNC(=O)C1CCOCC1)c1ccccc1-c1nn[nH]n1	1588775883	NLFKFGZIOYTNTD-UHFFFAOYSA-N	314.349	1.134	50	20	DDGD	
O=C(Cc1ccsc1)NNC(=O)Nc1cccc(C(=O)O)c1	1594711570	AQECWCZOGQNCST-UHFFFAOYSA-N	319.342	1.842	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@H]1CCOC[C@@H]1C	1599375972	KAWWVQPTCPYMSE-GXSJLCMTSA-N	308.334	1.509	50	20	DDGD	
CC1(CCNC(=O)NNc2ccc(-c3nn[nH]n3)cn2)CC1	1590127415	NBCYNLIYLAQYNY-UHFFFAOYSA-N	302.342	1.078	50	20	DDGD	
CN(CC(=O)NNc1ccc(F)c(C(=O)O)c1)CC(C)(C)C	1598396589	OXNKOVPVWLKSFT-UHFFFAOYSA-N	311.357	1.945	50	20	DDGD	
Cn1nc(C(=O)O)cc1C=NNC(=O)CCOc1ccccc1	1594571676	DCFIJSAJQXJRIG-UHFFFAOYSA-N	316.317	1.038	50	20	DDGD	
C[C@]1(C(=O)NCC2(C(=O)O)CCOCC2)C[C@@H]1Br	1593754261	UPNYRGMGJVTBDU-KWQFWETISA-N	320.183	1.158	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H](C(=O)O)C2CCCC2)n1	1594453494	QUIDKIGUGGTCJJ-LLVKDONJSA-N	312.757	1.773	50	20	DDGD	
C[C@@H](NC(=O)CC(C)(C)C)C(=O)NNc1cccc(C(=O)O)c1	1593010809	JVPPWXLNCVCHFC-SNVBAGLBSA-N	321.377	1.769	50	20	DDGD	
O=C(O)C1=NO[C@@H](C(=O)NNc2ccc(C(F)(F)F)cc2)C1	1594890325	PVHOILWUIDSCPS-SECBINFHSA-N	317.223	1.378	50	20	DDGD	
CN(Cc1ccc(C(=O)O)cc1)C(=O)/C(C#N)=C/c1cnn(C)c1	1598510099	KOVNHJUVFLNTEG-VIZOYTHASA-N	324.340	1.684	50	20	DDGD	
N#Cc1ccc(C(=O)O)c(C=NNC(=O)c2nccs2)c1	1776109389	GTJBYPAAHQAWEX-UHFFFAOYSA-N	300.299	1.477	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)c1cnc(N)s1	1776047051	STDBGCLUAKSQRP-UHFFFAOYSA-N	319.346	1.969	50	20	DDGD	
CN(C)c1ccc([C@@H](CNS(=O)(=O)CCl)N(C)C)cc1	5098911	VMYGROCQLCNBDY-CYBMUJFWSA-N	319.858	1.471	50	20	DDGD	
N#Cc1cccc(NNC(=O)CNC(=O)c2cccs2)c1	152374361	MHTHLSYQOHLSMZ-UHFFFAOYSA-N	300.343	1.493	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)[nH]n1	153896301	XCYZVIYLFWGJCJ-DTWKUNHWSA-N	318.299	1.848	50	20	DDGD	
C[C@H](OC[C@@H]1CCCCO1)C(=O)NNc1ccc(C#N)cc1	155296341	SSTPIKISEIBCSS-WFASDCNBSA-N	303.362	1.976	50	20	DDGD	
CC[C@H](C(=O)NNc1cc(F)cc(OC)c1)N1CCCC1=O	156435520	OLZVAZWQRVTMDA-CYBMUJFWSA-N	309.341	1.678	50	20	DDGD	
CN1CCN(S(=O)(=O)c2ccc(CCCCl)cc2)CC1	20191002	WAENIQQOUNZPCL-UHFFFAOYSA-N	316.854	1.794	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cc(Br)c[nH]1)C1CC1	55970729	COBUVQLMCGBIOZ-ZCFIWIBFSA-N	315.171	1.520	50	20	DDGD	
COC(=O)N1CCC(=NNC(=O)CNc2ccccc2)CC1	54865197	DJTOAVXGAYDPEO-UHFFFAOYSA-N	304.350	1.433	50	20	DDGD	
O=C(NNC(=O)[C@H]1CSCCS1)c1c[nH]c2ccccc12	176926714	DJRPGLSMQKVODQ-GFCCVEGCSA-N	321.427	1.778	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)N1CCOCC1)c1ccccc1	172906390	NGUBGAPRJQEESL-CQSZACIVSA-N	305.378	1.499	50	20	DDGD	
O=C(CCc1ccoc1)NNC(=O)COc1ccc(F)cc1	177558270	LCUZTMVEWBVEAF-UHFFFAOYSA-N	306.293	1.578	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCc1nc2cc(F)ccc2n1C	178965272	ZIEGUFUBEVQYTL-ZHACJKMWSA-N	316.336	1.815	50	20	DDGD	
O=C(/C=C/C1CCOCC1)NNC(=O)COc1ccc(F)cc1	112193518	GKYAXMIKLOHFMD-LZCJLJQNSA-N	322.336	1.335	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1ccc(F)c(F)c1F	177178982	CSYXASWYIWMXKK-UHFFFAOYSA-N	313.235	1.841	50	20	DDGD	
O=C(NNC(=O)[C@@H]1SCCc2sccc21)c1ccncc1	173005855	WVMBRRGKFLWXPX-GFCCVEGCSA-N	319.411	1.935	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Cc1cnn(C)c1)c1ccccc1	110343912	IDADAYFTSPVUPR-CQSZACIVSA-N	300.362	1.304	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2C[C@@H]3CC[C@@H]2O3)c1	113784608	QILDVOHWGXUXKL-MJBXVCDLSA-N	303.362	1.081	50	20	DDGD	
COCCCOc1cccc(C(=O)NNC(=O)C(C)(C)C)c1	173110525	UJEYZDUQVHETJP-UHFFFAOYSA-N	308.378	1.909	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)C1CCOCC1	63679028	YJAGMQSAMUNHHC-UHFFFAOYSA-N	313.448	1.213	50	20	DDGD	
COC(=O)NNC(=S)Nc1ccc2c(c1)OC(F)(F)O2	63540488	IYPXHYQTHAZUCO-UHFFFAOYSA-N	305.262	1.566	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ccc3ccccc3n2)cn1	181136846	BXOOYBKGYGWSKR-UHFFFAOYSA-N	307.313	1.486	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H](C)CN2CCCCC2)n1	181421034	WMZNJOCMZULQTR-LBPRGKRZSA-N	307.398	1.591	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)c2cc(C)n[nH]2)cc1	186380319	NPOUPYQXVAFAOM-UHFFFAOYSA-N	303.322	1.583	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1ccc(Cl)o1	78193621	IRGALUTUICRQMU-UHFFFAOYSA-N	308.721	1.911	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)[C@@H]1CCCO1)C(=O)c1cccc(F)c1	72954608	HIEDBENEDLEFRX-GWCFXTLKSA-N	322.336	1.361	50	20	DDGD	
Cc1ccc(C[C@@H](C)C(=O)NNC(=O)c2cnn(C)c2)cc1	181250777	CPILQWQCXZXBGN-GFCCVEGCSA-N	300.362	1.368	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNC(=O)c1ccc[nH]1)c1cccs1	126359829	ODINMRARRYNZQM-NSHDSACASA-N	321.406	1.323	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cc(C)n[nH]2)c(C)c1	76950363	NQJFVYUTRRRLKH-UHFFFAOYSA-N	301.350	1.208	50	20	DDGD	
CCCn1cc(NC(=O)NNC(=O)c2ccc(C#N)cc2)cn1	186222041	ZQBJNUUAKRHNKY-UHFFFAOYSA-N	312.333	1.631	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCCOCC1CC1	45131614	AARKEVDXCDTEFP-UHFFFAOYSA-N	305.378	1.756	50	20	DDGD	
C=C(C)COCCNC(=O)NNC(=O)c1cc2ccccc2o1	135019605	LJKMSXIHCBRVNX-UHFFFAOYSA-N	317.345	1.970	50	20	DDGD	
CC[C@@H](C(=O)NNc1nnc(C2CC2)s1)N1CCCC1=O	184468091	YMWACWIIWNHOJX-VIFPVBQESA-N	309.395	1.260	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@@H](C)C1CCC1	131267731	KCQCHWFTNPXQRR-NSHDSACASA-N	305.378	1.757	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2ccc(N(C)C)cc2)o1	84069837	QUDKWPDRWTYCCV-UHFFFAOYSA-N	316.361	1.798	50	20	DDGD	
O=C(NCCNC(=O)c1ccco1)NNc1ccccc1Cl	45561053	RGTPLPZAIYOQEI-UHFFFAOYSA-N	322.752	1.989	50	20	DDGD	
CC(C)c1nc(C(=O)NNC(=O)Cc2ccncc2)cs1	81024884	AAAYTPJGGNWCII-UHFFFAOYSA-N	304.375	1.665	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@H]1CCN2CCCC[C@H]12	47105614	HASVWNBPQFSBND-UONOGXRCSA-N	320.368	1.397	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cnn(C)c1)c1c(F)cccc1F	134708444	DAGWIRNGNJAXLQ-QMMMGPOBSA-N	308.288	1.263	50	20	DDGD	
CCN(CC)CCNC(=O)NNC(=O)COc1ccc(C)cc1	192886783	PHRQHEIRBJACST-UHFFFAOYSA-N	322.409	1.046	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)c1ccccc1)c1cccc(C#N)c1	83029609	IYHIAEZUTBSLSW-HNNXBMFYSA-N	309.325	1.707	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@@H]1C[C@@H]1c1cccc(Cl)c1	194896103	NDGYBDPEYADKES-CHWSQXEVSA-N	323.780	1.517	50	20	DDGD	
Cn1c(=NNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)sc2ccccc21	255905664	QGCNRGLPHNVONQ-FOGDFJRCSA-N	303.387	1.739	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1ccc(OC2CCC2)cc1	266270680	HESLRGHOVFQZRE-UHFFFAOYSA-N	319.361	1.305	50	20	DDGD	
COC[C@H](C)OC(=O)/C(C#N)=C/c1cccc(OCC(=O)O)c1	264886362	DRVWXHCDMABLCQ-HOVAHTAHSA-N	319.313	1.635	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2CCCc3c2cnn3C)nn1	264431235	ZMCZBHATRTVCHL-NSHDSACASA-N	301.354	1.222	50	20	DDGD	
COCCCCNC(=O)NNC(=O)C(C)(C)c1ccccc1	264679771	YEEONNSASGONKM-UHFFFAOYSA-N	307.394	1.721	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC2(C)CCOCC2)c1	272686319	UKEPCOLRQQYVLT-UHFFFAOYSA-N	321.377	1.916	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C[C@H](C)SC)cn1	270419099	FXHUECYHYXAJKF-QMMMGPOBSA-N	314.436	1.549	50	20	DDGD	
Cc1c([C@H]2OCC[C@@H]2C(=O)NN(C)c2ccccc2)cnn1C	275273781	JOPQVSAZOYBSBF-HOCLYGCPSA-N	314.389	1.974	50	20	DDGD	
O=C1C[C@H](NS(=O)(=O)CBr)c2ccccc21	274010898	UVBXSGNFOZEYGK-VIFPVBQESA-N	304.165	1.586	50	20	DDGD	
C[C@@H](CN(C)S(=O)(=O)CBr)c1nccs1	273124466	RWPUIBWIWFGTPU-ZETCQYMHSA-N	313.242	1.861	50	20	DDGD	
COc1ccc(C(=O)C(=O)NNC(=O)C(C)(C)C)cc1Cl	274131137	BWJWQFRXPRRHQB-UHFFFAOYSA-N	312.753	1.725	50	20	DDGD	
NC(=O)NC1(C(=O)NNc2ncc(Cl)cc2Cl)CC1	274773506	VRRMNSHKNIJFKT-UHFFFAOYSA-N	304.137	1.032	50	20	DDGD	
COCCOc1cc(C(=O)NNc2nc(C)cc(C)n2)ccn1	272018550	MYAWFEADMLVVNT-UHFFFAOYSA-N	317.349	1.271	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NO[C@@H]1CCCCO1	275111103	LMRVZTUIFMOXDJ-CYBMUJFWSA-N	311.313	1.157	50	20	DDGD	
CO[C@@H]1CCC[C@H](CC(=O)NNC(=O)c2ccc(C#N)cc2)C1	279814559	OYNSBMDTAGENBA-DZGCQCFKSA-N	315.373	1.915	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C)ccc1OC	274074719	PDXGZPHVTXADOC-SNVBAGLBSA-N	307.350	1.136	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(CN2CCCC2=O)cc1	273005612	PFQANHDLRJLUIJ-UHFFFAOYSA-N	318.377	1.115	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)CC(C)(C)O	280799595	LRWOSZSFSHKULY-UHFFFAOYSA-N	300.742	1.271	50	20	DDGD	
O=C(NCc1cnc2n1CCCC2)NNc1ccc(Cl)nn1	375181504	PHCXMKWXLPFBJW-UHFFFAOYSA-N	321.772	1.489	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C[C@H]1C(=O)Nc2ccccc21	371494953	LHMJXYAKJGPTMQ-SNVBAGLBSA-N	305.334	1.668	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H](c2nncn2C)C(C)C)nc1	286695922	BBFSKNJGLREGNJ-LBPRGKRZSA-N	319.369	1.242	50	20	DDGD	
O=C(NCCc1ccc2[nH]ccc2c1)NNC(=O)C1CCC1	281933382	KOXPZSUHBXHEKK-UHFFFAOYSA-N	300.362	1.841	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cc(Cl)c(Cl)[nH]1	280853377	APPHMLKUIMFXKC-UHFFFAOYSA-N	319.070	1.828	50	20	DDGD	
O=C(NNc1ncccn1)C(=O)Nc1ccc(C2CCC2)cc1	280285312	PPRCGONWPTTZHH-UHFFFAOYSA-N	311.345	1.826	50	20	DDGD	
CO[C@@H](C(=O)NNC(=S)NCCc1cccs1)C1CC1	280874776	YSMOIZRLLBAQJH-LLVKDONJSA-N	313.448	1.211	50	20	DDGD	
CSSCCNc1cc(N2CCN(C)C(=O)C2)ncn1	286365472	HYQIIZYNEOCPRE-UHFFFAOYSA-N	313.452	1.178	50	20	DDGD	
COC(=O)N(C)NC(=O)Cn1c(C)nc2cc(F)c(F)cc21	286540860	YRGLDUGFLXDEPH-UHFFFAOYSA-N	312.276	1.352	50	20	DDGD	
C[C@@H]1CSC[C@H]1NC(=O)NNC(=O)CCc1ccccc1	805790711	DDTLVTRJQMZBAM-DGCLKSJQSA-N	307.419	1.701	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H](C)Cc1cnc2ccccc2n1	293682350	PUSFMWKRWJZYIE-JTQLQIEISA-N	302.334	1.538	50	20	DDGD	
CN1CCC(CCNC(=O)NNc2ncc(F)cc2F)CC1	297609549	JQJPOITWWDDHBR-UHFFFAOYSA-N	313.352	1.718	50	20	DDGD	
C[C@H]1CSC[C@@H]1NC(=O)NNC(=O)COCc1ccccc1	805142896	ZIJSQDCAHXOZNK-AAEUAGOBSA-N	323.418	1.285	50	20	DDGD	
CCc1nc(C(=O)NN(C)CCOC)nn1-c1ccccc1	297039937	JLBFFBLTDRLPKU-UHFFFAOYSA-N	303.366	1.053	50	20	DDGD	
CCc1cccc(C(=O)NNc2ccc(-n3ccnc3)nn2)c1O	804955729	QYKCPVDKPUHVNR-UHFFFAOYSA-N	324.344	1.687	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H](C)[C@H]1OCCc2sccc21	292730064	MRUZKUWQKSZPMD-JOYOIKCWSA-N	311.407	1.737	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(C(=O)OC)ccc1Cl	809983074	YWZRLZOJJVFJBX-UHFFFAOYSA-N	300.698	1.518	50	20	DDGD	
COc1ccc(OCCCC(=O)NNc2ncncc2F)cc1	293956069	JJIUXZXYLHOAFZ-UHFFFAOYSA-N	320.324	1.927	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)C[C@](C)(O)C2CC2)cc1	802125020	ZNCQLPOBQDLUIT-INIZCTEOSA-N	320.393	1.456	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)Cn2nc(C)cc2C)[C@@H]1SC	807954823	DXVYELALGAUFKC-JSGCOSHPSA-N	310.423	1.513	50	20	DDGD	
COCCCn1nccc1C=NNC(=O)Cc1ccccc1F	802711607	SNLDIKIUKTVRHX-UHFFFAOYSA-N	318.352	1.752	50	20	DDGD	
CC(=O)NNC(=O)c1ccccc1SCC(=O)N1CCCC1	298197761	OQPSZZMNNDKHHS-UHFFFAOYSA-N	321.402	1.182	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2cn(C(C)C)nn2)c1	807947271	NRZGPBVDQCDVEU-UHFFFAOYSA-N	301.350	1.697	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2snnc2C)cc1	814216439	MINBCZVNFTYJJN-UHFFFAOYSA-N	303.347	1.244	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C=NNC(=O)c2cnccn2)c1C	818287979	VOUKXJBCUWADEI-UHFFFAOYSA-N	315.333	1.362	50	20	DDGD	
Cc1ccc(-n2nc(C(=O)NNc3nc[nH]n3)c3c2CCC3)cc1	816632629	RKDPXPYPXVSCBI-UHFFFAOYSA-N	323.360	1.544	50	20	DDGD	
Cn1cc(C=NNC(=O)CNc2ccccc2)c(C(F)F)n1	812223271	YOIYSQYTWKILBD-UHFFFAOYSA-N	307.304	1.920	50	20	DDGD	
Cc1nc(-c2ccccc2)c(C(=O)NNc2nc[nH]n2)s1	816632920	FHAWUEHOQJVOGE-UHFFFAOYSA-N	300.347	1.994	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1cc2c(cn1)CCCC2	813016321	SFKOCWFOWHLTBF-UHFFFAOYSA-N	314.349	1.458	50	20	DDGD	
COc1cccc(CNC(=O)NNc2ncncc2F)c1OC	814279818	OJSPUBOLMJJTOI-UHFFFAOYSA-N	321.312	1.459	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNc2ncncc2F)o1	817067587	NSGPWQCWXLWJNJ-UHFFFAOYSA-N	307.329	1.807	50	20	DDGD	
C[C@@H](Oc1ccc(C=NNC(=O)[C@H]2CCCS2)cc1)C(=O)O	819820048	SJMYKWFWTNRBQX-ZWNOBZJWSA-N	322.386	1.884	50	20	DDGD	
O=C(COCc1nc2ccccc2s1)NNC(=O)CC1CC1	819132071	YIVYBONPZIRXMS-UHFFFAOYSA-N	319.386	1.760	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1Cc2ccccc21	826448269	OLVQYNUASBJITO-CQSZACIVSA-N	306.329	1.650	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CC1CCN(CC(F)(F)F)CC1	821783756	QZWGYROMSWAFSR-UHFFFAOYSA-N	324.347	1.343	50	20	DDGD	
CCCCCC=NNC(=O)COc1ccccc1-c1nn[nH]n1	825266180	CUPHHFLPKRADCK-UHFFFAOYSA-N	316.365	1.928	50	20	DDGD	
CCO[C@@H]1C[C@@H](NCC(=O)NNC(=O)C(C)C)C1(CC)CC	828936246	LTBXNTKTYHSDEQ-CHWSQXEVSA-N	313.442	1.363	50	20	DDGD	
CCOC(=O)N1CCC[C@@H](C(=O)NNC(=O)OC(C)(C)C)C1	490559998	NNNAQVQTGCMRNL-SNVBAGLBSA-N	315.370	1.411	50	20	DDGD	
C[C@H](C=NNC(=O)N=c1cc[nH]cc1)CNC(=O)OC(C)(C)C	495652094	ONIXOCRWBCYXQM-NSHDSACASA-N	321.381	1.772	50	20	DDGD	
C[C@@H](CC(=O)NNc1cccc(-c2nn[nH]n2)c1)n1cccc1	824385297	PWCQYADAAZIZGB-NSHDSACASA-N	311.349	1.763	50	20	DDGD	
CN(NC(=O)[C@@](C)(O)Cc1ccccc1)C(=O)OC(C)(C)C	496993539	JYWSVJZDUNWZCD-INIZCTEOSA-N	308.378	1.878	50	20	DDGD	
N#Cc1ccccc1/C=C\C(=O)NNc1nc2ccccn2n1	588585018	GUIKGIXAJSVGJN-HJWRWDBZSA-N	304.313	1.757	50	20	DDGD	
CSc1ccc(CNCc2ccccc2B(O)O)cc1C	585028894	SKBLLPHRIQWQTC-UHFFFAOYSA-N	301.220	1.687	50	20	DDGD	
CN(C)CC1(C(=O)NNc2nnc(-c3ccccn3)s2)CC1	822348783	PKMVQWUXTWJPSZ-UHFFFAOYSA-N	318.406	1.385	50	20	DDGD	
C[C@@H](C(=O)NNC(=S)N[C@H](C)C1CC1)c1cccc(O)c1	824446616	OIQHXWOUQGQIEY-NXEZZACHSA-N	307.419	1.790	50	20	DDGD	
CCN(CCO)NC(=O)c1cn(C)nc1-c1ccccc1OC	823859926	DPCKWAFOPJNYFD-UHFFFAOYSA-N	318.377	1.055	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCC2(c3ccccn3)CCC2)cn1	491079892	BVZZGLUEFIHQJT-DHDCSXOGSA-N	321.384	1.960	50	20	DDGD	
CC(=O)NNC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1	496590036	VTXCCGMGSDVVPC-UHFFFAOYSA-N	319.239	1.578	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc2c(c1)OC(F)(F)O2	827690331	LJDCJNKBYUEQKJ-UHFFFAOYSA-N	301.249	1.314	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ccccc1S(C)(=O)=O)N(C)C	732303776	KUXGSWSSJKXJEE-ZDUSSCGKSA-N	313.423	1.119	50	20	DDGD	
CCc1cc(C(=O)NC[C@@]2(C)C[C@@H]2Br)n(C)n1	824804082	DWCRKAXIKOFGCH-CMPLNLGQSA-N	300.200	1.886	50	20	DDGD	
Cc1ccc(NNC(=O)Cc2ccc(-c3nn[nH]n3)cc2)cc1	826291520	JWIKJDPLVRCACW-UHFFFAOYSA-N	308.345	1.861	50	20	DDGD	
CC(C)[C@@H]1C[C@H](CNCc2ccc(B(O)O)cc2F)CCO1	585044150	ZNFACKNRWHIWEI-WBMJQRKESA-N	309.190	1.046	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1	823959550	LALANZWSVUZQIJ-SNVBAGLBSA-N	323.780	1.881	50	20	DDGD	
COc1cccc(CCC(=O)NNc2cc(C)ncn2)c1OC	734256611	NSSLPFDUVOMZAB-UHFFFAOYSA-N	316.361	1.878	50	20	DDGD	
C[C@@H]1OC(=O)N[C@H]1C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	496376762	BUSINZTUTGYEQW-SSDLBLMSSA-N	314.685	1.188	50	20	DDGD	
CO[C@@H]1C[C@H](N(C)C(=O)/C(C#N)=C/c2cnn(C)c2)C12CCC2	491176164	NXKYAPIMAYXBCH-GEJCVMBQSA-N	314.389	1.743	50	20	DDGD	
C[C@@]1(C(=O)NCc2ccc(O)c(O)c2)C[C@H]1Br	907061405	VFVFFKYIDZUDJB-ZYHUDNBSSA-N	300.152	1.888	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)NNC(=O)CC1CC1	497026467	FCTRSZROBRQSIQ-NXEZZACHSA-N	313.398	1.483	50	20	DDGD	
CC(C)(C)[S@](=O)CCNC(=O)[C@@]1(C)C[C@H]1Br	906661765	QRYZXVLFEQCMRO-OEODGHQXSA-N	310.257	1.823	50	20	DDGD	
CCCCC[C@H](O)C(=O)NNC(=O)Cc1ccccc1OC	832884753	YTTCBBFSCFMWQR-ZDUSSCGKSA-N	308.378	1.326	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2ccc3c(c2)OCCCCO3)cn1	834959539	MNYAJDPGSHHUEZ-UHFFFAOYSA-N	314.345	1.735	50	20	DDGD	
CC[C@H](O)[C@H](C)C(=O)NNC(=O)Cn1ccc2ccccc21	900590747	NKLNTFMLHCPDQW-FZMZJTMJSA-N	303.362	1.196	50	20	DDGD	
CCOCC(=O)NN=C(C)c1ccc(OCC(=O)N(C)C)cc1	731152620	MSTJRZMVHJNCJP-UHFFFAOYSA-N	321.377	1.030	50	20	DDGD	
C=CCNc1ncc(C(=O)NNc2ccc(C(=O)O)cn2)s1	833376202	XDBBISGSHKJSPS-UHFFFAOYSA-N	319.346	1.591	50	20	DDGD	
CO[C@@H]1CCN([C@H](C)C(=O)NNC(=O)CC(C)C)CC1(C)C	831547022	GUNXXIQGVWCZEF-CHWSQXEVSA-N	313.442	1.315	50	20	DDGD	
CN1CCC[C@H](CCNC(=O)NNc2cncc(Cl)n2)C1	838765286	GPYMNGBZQIAXJA-SNVBAGLBSA-N	312.805	1.488	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)COCc2ccccc2)o1	737439152	VPPYIPTZRCNAIP-UHFFFAOYSA-N	316.313	1.733	50	20	DDGD	
O=C(CCCn1ccnc1)NNc1nc(-c2ccccc2)no1	732112388	XCWGXYKKDZIZBD-UHFFFAOYSA-N	312.333	1.857	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1c(C)cccc1Cl	901964240	DYJQKTMGFIEYGV-UHFFFAOYSA-N	314.794	1.761	50	20	DDGD	
CCC(=O)C1(C(=O)NNc2cccc(C(=O)OC)c2F)CC1	837062275	VLYOYMFNOVSQPS-UHFFFAOYSA-N	308.309	1.815	50	20	DDGD	
COc1nc2sccn2c1C=NNC(=O)c1c[nH]nc1C	735411984	FVJUPDAAMXCXMD-UHFFFAOYSA-N	304.335	1.200	50	20	DDGD	
CC(C)c1ccc(NNC(=O)NC[C@H]2CC(C(N)=O)=NO2)cc1	838585836	QDPVQFWQKFCLSH-GFCCVEGCSA-N	319.365	1.066	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CN2CCCC23CCC3)cc1	839583539	JUFSJQFUYWRSKC-UHFFFAOYSA-N	312.373	1.338	50	20	DDGD	
CCCC[C@H]1CCC[C@H]1NC(=O)c1cc(B(O)O)ccc1F	584939247	HTNKERSULAETQE-XHDPSFHLSA-N	307.174	1.594	50	20	DDGD	
N#CSCCCNS(=O)(=O)c1cc(F)c(F)cc1F	916979582	MTQGTFCWRNFWEV-UHFFFAOYSA-N	310.322	1.987	50	20	DDGD	
CCC[C@H](C=NNC(=O)COc1ccccc1[N+](=O)[O-])OC	834928538	YMUGOEUOLJRCAS-LLVKDONJSA-N	309.322	1.891	50	20	DDGD	
COCCN(C)NC(=O)C1(c2ccc(OC)c(OC)c2)CCC1	837625695	UYMYZUJWKVBDRQ-UHFFFAOYSA-N	322.405	1.735	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)NCCc1ccc(C(=O)O)cc1	736428648	NIJGDGRUOBZMIY-UHFFFAOYSA-N	321.377	1.694	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)COC(=O)C2CCC2)cc1C	736767320	ADMHMGVMXRSETO-UHFFFAOYSA-N	324.402	1.723	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H](CC(C)C)C(N)=O)c1ccccc1	839674511	DALZRGWNYKDNDI-UONOGXRCSA-N	319.405	1.475	50	20	DDGD	
CC(C)S(=O)(=O)CC(=O)NNc1ccc(Cl)c(F)c1	746695816	MJRQWFZJIWZRTQ-UHFFFAOYSA-N	308.762	1.745	50	20	DDGD	
CCN(CC)C(=O)CNC(=O)NNc1cc(F)ccc1F	914395132	CSPRBEMHRBLYNS-UHFFFAOYSA-N	300.309	1.459	50	20	DDGD	
O=C(NCCNC1CC1)NNc1cccc(Br)n1	841930594	VDIIJEDPBZRIHB-UHFFFAOYSA-N	314.187	1.222	50	20	DDGD	
O=C(CCCn1ccnc1)NNC(=O)c1ccc(Cl)cc1F	747331835	APWVRWCCSHHXIW-UHFFFAOYSA-N	324.743	1.917	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)CSCC#N)cc1	915189019	RSBUBJSVCPWCFZ-UHFFFAOYSA-N	309.416	1.491	50	20	DDGD	
Cc1cc(NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)ncn1	743807189	CNJJJTYSBSYNKZ-UHFFFAOYSA-N	321.362	1.337	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2[C@H]3CCC[C@H]32)cc1OC	748838561	OBWCTVBCLIYJAS-YABSGUDNSA-N	304.346	1.511	50	20	DDGD	
CCOCCCNC(=O)NNC(=O)c1cccc2cccnc12	742422351	XPTRRSPPGBLBQK-UHFFFAOYSA-N	316.361	1.605	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2COCCO2)cc1C(F)(F)F	746896358	OJOISOVBGKDRTG-NSHDSACASA-N	315.251	1.436	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)CCOc2ccccc2)s1	748727940	FOFIYZMFZSZJIG-UHFFFAOYSA-N	305.359	1.682	50	20	DDGD	
C[C@H]1OCCC1=NNC(=O)c1nn(-c2ccccc2)cc1O	747754683	BRFZGAFXMZZJDW-SNVBAGLBSA-N	300.318	1.473	50	20	DDGD	
CC(C)Oc1ncccc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843656725	PTOKVSIYPUIZOO-QWRGUYRKSA-N	307.350	1.055	50	20	DDGD	
Cc1ccnn1-c1ccc(C(=O)NNC(=O)c2ccncc2)cc1	747354226	FFOPIZGDMOTTKX-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
CCNCCNC(=O)NNC(=O)CSc1ccc(C)cc1	841934941	NPBHWYIWFSDMPL-UHFFFAOYSA-N	310.423	1.027	50	20	DDGD	
CC[C@H](Nc1ccccc1)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843973455	LHFCDQNXLFFUCX-XBFCOCLRSA-N	305.378	1.450	50	20	DDGD	
CN(C)C(=O)CCNC(=O)NNc1ccc(F)cc1Cl	914198647	KHNUSOIQPXAVSZ-UHFFFAOYSA-N	302.737	1.584	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc(Cl)c(Cl)c1	843642929	YTUFFELEAGFYBQ-POYBYMJQSA-N	318.160	1.574	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)N[C@H](C)CCN)cc1	841968403	WWIHZDNLMFTNDN-LLVKDONJSA-N	310.423	1.155	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H](C)C1(OC)CCC1	840454900	VGMUOWFWCBNQDH-LLVKDONJSA-N	321.377	1.597	50	20	DDGD	
O=C(NNc1ccc(F)cc1)[C@@H]1CCN[C@H]([C@H]2CCCO2)C1	912447901	LAQOUPDYOHWAPB-BYCMXARLSA-N	307.369	1.816	50	20	DDGD	
CCc1cccc(C)c1NC(=O)NN(C)C(=O)N1CCNCC1	841002173	HSGVUJIMXSIBJQ-UHFFFAOYSA-N	319.409	1.551	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H]1CCN(Cc2ccccc2)C1	847392382	VCGVIFJWERDKGK-HNNXBMFYSA-N	318.421	1.639	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H](C)Cc1cnc[nH]1	847477977	PWZIOMSHNPRKRU-JTQLQIEISA-N	302.334	1.058	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NN=C1C[C@@H](C)n2ncnc21	841611424	RHZNNOBMRILTEI-NXEZZACHSA-N	317.324	1.670	50	20	DDGD	
Cc1noc(C(F)(F)F)c1C(=O)NNC(=O)NCC1CC1	746167848	ZTPTVMWHHYAWJH-UHFFFAOYSA-N	306.244	1.356	50	20	DDGD	
CN(CC(=O)NNc1nc2ccccc2n1C)[C@H]1CCSC1	848379950	UWHSFQCUJDWTPI-NSHDSACASA-N	319.434	1.454	50	20	DDGD	
Cc1sc(Cl)nc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843657834	QHWZDQMUFBVEGO-FSPLSTOPSA-N	303.771	1.291	50	20	DDGD	
CO[C@H](CC(=O)NNc1cc(Cl)nc(C)n1)C(F)(F)F	846264361	YUZIFDDQPQOPJA-ZCFIWIBFSA-N	312.679	1.849	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@](C)(O)[C@H](C)c1ccccc1	843977761	HUBFPSZAVUTKAG-CXUUEIJPSA-N	320.389	1.114	50	20	DDGD	
CCCC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CC1(C)C	841620716	KWZWBYRDLPOJFT-MNOVXSKESA-N	315.439	1.675	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CCSc2ccccc21	755285284	MFZKICODMKGGOL-GFCCVEGCSA-N	316.386	1.379	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C2(C(C)C)COC2)c1	929268058	NFDOXUIGDVAGQV-UHFFFAOYSA-N	322.361	1.137	50	20	DDGD	
C[C@H]1CCCN(c2cc(C(=O)NNc3cnnn3C)ccn2)C1	857270417	BKSCXMJLZXLGSV-NSHDSACASA-N	315.381	1.203	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NC[C@@H](O)C(F)(F)F	752519181	XXUCSDPZPGTEGD-FZPLPXEFSA-N	302.227	1.772	50	20	DDGD	
CCN(CCC(F)(F)F)C(=O)NNC(=O)c1cccc(F)n1	852710252	LFDBKEGGDMMOBJ-UHFFFAOYSA-N	322.262	1.849	50	20	DDGD	
Cn1nncc1NNC(=O)c1cc(C2CC2)nc2ccccc12	857273522	XDIQAWOPMKHCAX-UHFFFAOYSA-N	308.345	1.998	50	20	DDGD	
CCN(C(C)=O)c1nc(C=NNC(=O)NCC2CC2)cs1	920828361	FYGNQXJLEPZWEU-UHFFFAOYSA-N	309.395	1.559	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2ccccc2F)c(C)nn1	758826680	ZZSMDRFNUCIBQU-UHFFFAOYSA-N	302.309	1.561	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=Cc1ccc(C(=O)O)[nH]1	853409117	LDVUYCUNSJZHLL-UHFFFAOYSA-N	322.365	1.106	50	20	DDGD	
CC1=CCN(CC(=O)NNC(=O)c2ccccc2Cl)CC1	756639826	OXEOXWSYHZRCPE-UHFFFAOYSA-N	307.781	1.753	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H]1CCC[C@H](C)C1	854281155	AYKKYMXGKRIVHX-NWDGAFQWSA-N	301.456	1.687	50	20	DDGD	
O=C(CCCc1cccnc1)NNC(=S)NCC1CCC1	855093979	PAULHCSCWCAPAJ-UHFFFAOYSA-N	306.435	1.700	50	20	DDGD	
CC1=C(C(=O)NNC(=S)N[C@H](C)C2CC2)SCCO1	855096781	DNPGOXLLHKBZJM-SSDOTTSWSA-N	301.437	1.275	50	20	DDGD	
CCCNC(=O)NN=Cc1cc2c(C)nn(C)c2nc1Cl	920988520	NJTRXFZIDSTNCJ-UHFFFAOYSA-N	308.773	1.973	50	20	DDGD	
COC(=O)c1cccc(CC(=O)NNC(=O)CC(F)(F)F)c1	759771894	IRXLZWAPNSQZRI-UHFFFAOYSA-N	318.251	1.116	50	20	DDGD	
NCCCCCC(=O)NNC(=O)Nc1cccc([N+](=O)[O-])c1	857765559	CVFJYIWNNHFAEE-UHFFFAOYSA-N	309.326	1.267	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NC[C@H](O)c1ccncc1	752641764	UGZXIQUCWMHOJL-IDJPSDCMSA-N	311.316	1.977	50	20	DDGD	
CCNC(=O)NN=Cc1cc(OC)c(O)cc1Br	921259774	IQTGUVPVVBEYGE-UHFFFAOYSA-N	316.155	1.816	50	20	DDGD	
C[C@]1(CNC(=O)NCCC2=CCNCC2)C[C@H]1Br	857104086	PXPNXKFJMMLWFL-DGCLKSJQSA-N	316.243	1.769	50	20	DDGD	
CO[C@]1(C)CC(=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)C1(C)C	853388867	QVJKKQJTPGSCIK-BFQNTYOBSA-N	309.410	1.157	50	20	DDGD	
Cc1ccc(C(=O)NNC(=S)NCC(C)(C)CN(C)C)o1	752242858	BZTPMBGEXHCQJK-UHFFFAOYSA-N	312.439	1.285	50	20	DDGD	
NC(=O)c1ccc(CC(=O)NNc2cnnc3ccccc23)cc1	754229957	ZWDFNTKTBCZILF-UHFFFAOYSA-N	321.340	1.415	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)Cn2nccc2C)c1	858130522	OUFAHPQFBRSORR-UHFFFAOYSA-N	316.361	1.035	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@@]2(C)C[C@H]2Br)CCCNC1	857104133	QTLVAEWLDQINLH-KGYLQXTDSA-N	318.259	1.849	50	20	DDGD	
C[C@H]1CN(C2CC2)CC1=NNC(=O)CNC(=O)c1cccs1	755890604	WXGOMVATUCWNOD-JTQLQIEISA-N	320.418	1.064	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@H]1CCCN(CC2CC2)C1	852086321	PXVDPUTULPROSH-CYBMUJFWSA-N	310.442	1.485	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccc(Cl)nn2)[C@@H]2CCCC[C@H]2N1	857129230	HRVHJCRHKSSPDP-LPEHRKFASA-N	323.784	1.268	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2conc2C(C)C)n1	858148730	JCGBCSDNZMQDAD-UHFFFAOYSA-N	305.338	1.073	50	20	DDGD	
COCCCN(C)CCNC(=O)NNc1ccc(Cl)cn1	852144860	WJHQWIJLISIUPC-UHFFFAOYSA-N	315.805	1.329	50	20	DDGD	
Cc1nn(C)c(OCC(F)(F)F)c1C=NNC(=O)C1CCC1	756828666	FBWJKJPQIPXSHV-UHFFFAOYSA-N	318.299	1.920	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cncnc1C1CC1	855092422	DVJZAHJPRHLOJO-UHFFFAOYSA-N	305.407	1.263	50	20	DDGD	
C#CCNC(=S)NNC(=O)c1ccc(OCCC)c(OC)c1	758176747	RQBDGKOTVXQDML-UHFFFAOYSA-N	321.402	1.226	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](C)Cc1cncc2ccccc12	854920707	HJHUAPFWSGGCSA-LLVKDONJSA-N	316.430	1.881	50	20	DDGD	
NC(=O)[C@H](Cc1ccccc1)NNC(=O)c1cccc(Cl)c1	758144719	WSCHXEPXJMLUHR-AWEZNQCLSA-N	317.776	1.671	50	20	DDGD	
CC1=NO[C@@H](C(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)C1	854240576	MOJMRAAMECNQIK-LDYMZIIASA-N	321.402	1.799	50	20	DDGD	
C=C[C@@H](CC)CC(=O)NNC(=O)Cc1cn2ccccc2n1	933999028	HABVAIYIBZRLRQ-LBPRGKRZSA-N	300.362	1.627	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCC(C)(F)CC1	868230948	SKLLHUVOYTTWMT-UHFFFAOYSA-N	309.341	1.874	50	20	DDGD	
Cc1cc(C(=O)NCCCSC#N)n(C2CCOCC2)n1	861551277	LMLAPIZABOBAOV-UHFFFAOYSA-N	308.407	1.877	50	20	DDGD	
CC(=O)N/C(=C\c1ccccc1)C(=O)NN[C@H](C)C(F)(F)F	862305503	OWUDFOSDCWDKQK-ZPBHHCQCSA-N	315.295	1.735	50	20	DDGD	
CCCc1nc(C)c(NC(=O)NNC(=O)c2cn[nH]c2)s1	860975802	MMYYDLMZEUFUFU-UHFFFAOYSA-N	308.367	1.594	50	20	DDGD	
C[C@@H](NNC(=O)COCCOc1ccccc1)C(F)(F)F	862308500	BNUTZXWEOVNQHT-SNVBAGLBSA-N	306.284	1.654	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H]2CCCCN2C(=O)C(C)C)cc[nH]1	862510886	XYKHCEAZTXWFKR-AWEZNQCLSA-N	304.394	1.292	50	20	DDGD	
CN(C)c1cc(F)c(C=NNC(=O)CN2CCCC2=O)cc1F	863071985	CNERHGJQPNXXPY-UHFFFAOYSA-N	324.331	1.103	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)N[C@H]1CCN(C2CC2)C1	765827909	SNFFZGSQNJWLHL-VIFPVBQESA-N	318.406	1.554	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ncc(F)cc1F	760490816	KQIUZTKLCAGHDX-UHFFFAOYSA-N	307.256	1.903	50	20	DDGD	
O=C(CCOCC(F)(F)F)NNCC(F)(F)C(F)(F)F	863092719	HUJUTSKNWQOOIP-UHFFFAOYSA-N	318.164	1.774	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNC(=O)C2CCCC2)c1C	861803879	HMQVSMMTYACHBH-UHFFFAOYSA-N	319.361	1.280	50	20	DDGD	
C[C@@H](C(=O)NNc1ncc(Cl)cc1Cl)[C@H]1CCC(=O)N1	860937030	QEWGAKMPUGIDKX-HZGVNTEJSA-N	317.176	1.746	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCSC[C@H]1CCO	867019682	AZHRWEITNFPDHG-SNVBAGLBSA-N	315.888	1.381	50	20	DDGD	
COC/C=C/C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	866874882	QCHAIRYTKDCKSO-NSCUHMNNSA-N	320.317	1.329	50	20	DDGD	
Cc1cccc([C@H]2CCCN2CC(=O)NNC(=O)C(C)(C)C)n1	767003268	OMJJIIIBBLBYHI-CQSZACIVSA-N	318.421	1.720	50	20	DDGD	
CCC(=O)c1ccc(C(=O)NNC(=O)c2cnn(C)c2)cc1	760547281	LYTBKYAEZUIUMF-UHFFFAOYSA-N	300.318	1.088	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccc2c(c1)CCC=C2	869905980	HIQRAYBEUIECIC-UHFFFAOYSA-N	304.346	1.070	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCC(=O)[C@H](C)C2)cc1	763263588	IPRHCCYHTIDRDX-CHWSQXEVSA-N	318.373	1.527	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)ncn1	769096094	AHOYLVIKJNSUAR-UHFFFAOYSA-N	311.345	1.772	50	20	DDGD	
Cc1cn2c(=O)c(C(=O)NN[C@@H](C)C(F)(F)F)cnc2s1	862315559	DJEBGYFZLSTKJZ-LURJTMIESA-N	320.296	1.250	50	20	DDGD	
COc1cc(C)c(C(=O)NN=c2cc[nH]c(C)c2)cc1OC	862512701	GAOWYXVICOSEMW-UHFFFAOYSA-N	301.346	1.894	50	20	DDGD	
Cn1cnnc1COC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	869461149	BHTCHKGPPSGIAB-YGOYTEALSA-N	314.183	1.812	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc[nH]1	875312661	GVSQWQWMQZNPRH-MCIONIFRSA-N	304.394	1.642	50	20	DDGD	
Cc1cc(=NNC(=O)NCc2nnc(C3CC3)s2)cc[nH]1	875673125	ZZAFMXJTNYFNJU-UHFFFAOYSA-N	304.379	1.367	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1nc(C2CC2)cs1	1118185444	CMPOTTYLUBKVLV-WCBMZHEXSA-N	324.406	1.276	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc(OC(C)C)nc1	872339920	DVXGLDGPCRZINV-SNVBAGLBSA-N	315.395	1.224	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=S)Nc2ccccn2)nn1C	874956845	QMSGZHOQXWOKCG-UHFFFAOYSA-N	318.406	1.570	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1CCc2ccc(Cl)cc21	875903292	IBEJHMAIBPMBOI-LBPRGKRZSA-N	311.769	1.694	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccnc(Br)c1	879666490	AUJUIHMWBQDMSA-UHFFFAOYSA-N	303.160	1.459	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C1=COCC1	772968294	QLQYVJFYPBAPMX-SECBINFHSA-N	310.737	1.559	50	20	DDGD	
CC[C@@H](C)n1nc(C(=O)NNc2nccn(C)c2=O)cc1C	778506776	SAWQOYHWJGSYIF-SECBINFHSA-N	304.354	1.013	50	20	DDGD	
CN1CCC[C@H]1C(=O)NNC(=O)c1nc2ccccc2s1	874913958	WZMLUHGBRKYBEZ-JTQLQIEISA-N	304.375	1.152	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)C[C@@H]2CCCC(=O)N2)cc1	1117961378	UMCIQLAEBPRMBF-ZDUSSCGKSA-N	303.362	1.860	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc[nH]2)nn1[C@@H](C)C1CC1	777277670	CORPHXJSKFOLAH-JTQLQIEISA-N	301.350	1.565	50	20	DDGD	
CCOc1cc(Cl)ccc1C(=O)NNC(=O)c1c[nH]nc1C	778712690	IMUZXLRECDIGIO-UHFFFAOYSA-N	322.752	1.845	50	20	DDGD	
O=C(NN=C1CCCc2ccc([N+](=O)[O-])cc21)C(=O)NC1CC1	773034008	XRLHZCNEXMEBTO-UHFFFAOYSA-N	316.317	1.030	50	20	DDGD	
CCc1cnccc1CNC(=O)NNC(=O)c1ccc(C#N)cc1	778640465	NZNUGLKXYGWPMU-UHFFFAOYSA-N	323.356	1.660	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@H]2CCCCO2)cc1F	880921135	LFZANTOHHXPFNV-CYBMUJFWSA-N	324.356	1.614	50	20	DDGD	
CCN1CCO[C@H](C(=O)NNc2c(F)cc(F)cc2F)C1	885151201	YZIYRXFFVJAVPO-NSHDSACASA-N	303.284	1.268	50	20	DDGD	
COCC1(C(=O)NNC(=O)COc2cc(C)ccc2C)CC1	778525394	UGSGJDFDNZSDTQ-UHFFFAOYSA-N	306.362	1.256	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccc(N)c([N+](=O)[O-])c1	772891750	SGGMWCDDCUDPRK-UHFFFAOYSA-N	316.321	1.847	50	20	DDGD	
O=C(CC1OCCO1)NNC(=O)C12CC3CC(CC(C3)C1)C2	788621544	ROIJMHDJNKSMNL-UHFFFAOYSA-N	308.378	1.113	50	20	DDGD	
Cn1ncc(Cl)c1C=NNC(=O)CNc1ccccc1F	780195177	RVPIEIHGKBZCSG-UHFFFAOYSA-N	309.732	1.775	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)CNC(=O)c1cccs1	788193889	ZCNKYNXBZYTVIB-UHFFFAOYSA-N	323.349	1.769	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(-c2cn[nH]c2)cc1	1123906290	VCKAFWASVPTLFX-YGRLFVJLSA-N	314.345	1.263	50	20	DDGD	
O=S(=O)(CBr)NC[C@H]1CCc2ccccc21	782439141	XYIOEJFDJPTMLR-SNVBAGLBSA-N	304.209	1.988	50	20	DDGD	
NC(=O)[C@H]1CCC[C@@H](C(=O)NN=c2cc[nH]c3ccccc23)C1	787999759	OMABYCXJHPMQTG-NWDGAFQWSA-N	312.373	1.392	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ncncc2Cl)cc1F	782159358	HTDHIHUSUSHHLU-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
CS(=O)(=O)c1ccccc1CC(=O)NNc1ccc(F)cc1	785784054	TYTLYKWBMCZRTG-UHFFFAOYSA-N	322.361	1.915	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C2CCCC2)c(-c2ccoc2)n1	789894778	KMGMZTLJTOMJGY-UHFFFAOYSA-N	302.334	1.631	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2ccc(O)cc2O)c1	781017772	IJLNNZATXWUUNI-UHFFFAOYSA-N	322.342	1.258	50	20	DDGD	
COC1CCC(C(=O)NNC(=O)c2ccc3c(c2)OCO3)CC1	780159359	NMZKRJMKDKPNOD-UHFFFAOYSA-N	320.345	1.382	50	20	DDGD	
COc1cccc(NNC(=O)c2cc(C)nc3cc(C)nn23)n1	780772564	FDMNBHRHADAOOT-UHFFFAOYSA-N	312.333	1.507	50	20	DDGD	
CC(=O)CSCC(=O)NNC(=O)Cc1c[nH]c2ccccc12	786663628	SCMKVLOEQPWZEJ-UHFFFAOYSA-N	319.386	1.180	50	20	DDGD	
CC(C)(O)CCC(=O)NNC(=O)c1cccc(OC(F)F)c1	787314382	LIJMARPHEYZEFG-UHFFFAOYSA-N	316.304	1.600	50	20	DDGD	
COC[C@H](C)NC(=O)NNC(=O)COc1ccc(C)c(C)c1	890158679	JVBQDKZKVKPAFU-LBPRGKRZSA-N	309.366	1.048	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc3nsnc3c2)n1	781027387	PKNYKCSWAXCGPB-UHFFFAOYSA-N	301.331	1.852	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2cnc(-c3ccco3)s2)CC1	782283850	WJTNSACFCOKILH-UHFFFAOYSA-N	319.390	1.694	50	20	DDGD	
C[C@H](CN1CCOCC1)OC(=O)/C(C#N)=C/c1ccc(O)cc1	782280056	HZVPVHKPOSWMOT-QQFZQELXSA-N	316.357	1.563	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](O)Cc2cccc(OC)c2)nc1	785425253	LHWYOMOFNJTIAV-AWEZNQCLSA-N	317.345	1.146	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CCc1cnccn1	793331937	YNGMSYSIOSMMLD-UHFFFAOYSA-N	303.274	1.932	50	20	DDGD	
Cc1cccc(C(=O)NN=C2C(=O)Nc3cc(N(C)C)ccc32)n1	794568936	ZEHSXCSYLCIECO-UHFFFAOYSA-N	323.356	1.542	50	20	DDGD	
CO[C@@]1(C)CCCN(C(=O)NNC(=O)c2cccc(C#N)c2)C1	792897376	ASRLOWQRCVNQLO-INIZCTEOSA-N	316.361	1.414	50	20	DDGD	
C[C@H](NC(=O)NNc1nc2ccccn2n1)c1ccc(C#N)cc1	790199728	SQCKVBXEAQDXFY-NSHDSACASA-N	321.344	1.988	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cnn(-c3cccnc3)c2)n1	794071794	GCCRBZCPFSIHJF-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNC(=O)c1ccc(OC)c(OC)c1	794610025	YVUXJFSLIGZGGS-OAHLLOKOSA-N	305.334	1.405	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCC(C)(C)CN1CCCC1	790703458	ZYMZBEJYKVUOPC-UHFFFAOYSA-N	312.458	1.875	50	20	DDGD	
NC(=O)c1ccccc1CCC(=O)NNc1ccc(Cl)nn1	792638886	HZBXASYKFRMSDK-UHFFFAOYSA-N	319.752	1.305	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC[C@H](c2ccccn2)C1	799196231	LMPUEFYTSOEDNP-LBPRGKRZSA-N	304.394	1.064	50	20	DDGD	
CCN(CC)c1ccc(C=NNC(=O)N2CCN(C)CC2)cc1	790180689	DIJWKZFDBYBBFV-UHFFFAOYSA-N	317.437	1.824	50	20	DDGD	
C#CCOc1ccc(NC(=O)C(=O)NCCSSC)cc1	793082768	ZWCTYQTXVFCDPF-UHFFFAOYSA-N	324.427	1.765	50	20	DDGD	
CCc1cc(C(=O)NNc2nc(-c3cccnc3)no2)nn1C	1319987899	RGPPYVJYCFZLMB-UHFFFAOYSA-N	313.321	1.184	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C[C@@H]1OC(=O)c2ccccc21	1317667349	IIAJKJWNAWJXJG-NSHDSACASA-N	307.375	1.192	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)c(C)[nH]1	1317805730	XTEHGHRSTKLJIY-UHFFFAOYSA-N	301.350	1.308	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cc2c(cn1)OCCC2	1320650487	WRWIRWRNZJYSOH-UHFFFAOYSA-N	305.725	1.607	50	20	DDGD	
CCc1ncncc1C(=O)NNc1ccc(C(C)(C)C)nn1	1322145507	SQZZTXJDLACCHF-UHFFFAOYSA-N	300.366	1.883	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc(C2OCCO2)cc1	1333767877	XLXOLYADQZBBSD-UHFFFAOYSA-N	309.391	1.249	50	20	DDGD	
C=CCCN(C)c1nnnn1C[C@@]1(C)C[C@@H]1Br	1336186769	NHZAXYBAQXWDNK-GXSJLCMTSA-N	300.204	1.859	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CCOc2ccccc2C)n[nH]1	1332137073	VGJJWFJUDXVBTG-UHFFFAOYSA-N	316.361	1.186	50	20	DDGD	
CCC[C@H](CC)NC(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1261765280	FBIZLMXOTUXIQJ-CWSCBRNRSA-N	319.243	1.971	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc2c(c1)N(C)CCO2	1262276595	JYHSDJWOSYGCBV-UHFFFAOYSA-N	316.361	1.471	50	20	DDGD	
C[C@H]1CNc2c(C(=O)NNC(=O)c3ccccc3F)cnn2C1	1346231203	XDPQMNJXIFAQME-VIFPVBQESA-N	317.324	1.159	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCCCCN1CCCCC1	1352561031	ZHRHYMAPVGKJJZ-UHFFFAOYSA-N	300.403	1.555	50	20	DDGD	
C[C@@H](Oc1ccccn1)C(=O)NNc1ccc(CC(=O)O)cc1	1604449580	SWNYHDKKLJGJDN-LLVKDONJSA-N	315.329	1.619	50	20	DDGD	
CC(=O)CSCC(=O)NNc1cccc(C(=O)O)c1F	1609573369	WNOXESJVHSUOAH-UHFFFAOYSA-N	300.311	1.289	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NNc1ccc(CC(=O)O)cc1	1608137859	XQGQLTMOZCHFPY-CHWSQXEVSA-N	314.345	1.294	50	20	DDGD	
O=C(O)C(=O)NN=Cc1cc(Br)c(Cl)s1	1601638399	XDWTZUFVEQILNP-UHFFFAOYSA-N	311.544	1.699	50	20	DDGD	
CC(C)(C)[C@H](C(=O)O)C(=O)NNC(=O)c1cccc(Cl)c1	1602852267	JLNPQZBUMTWDIA-JTQLQIEISA-N	312.753	1.848	50	20	DDGD	
O=C(CCN1CCCCCC1)NN=Cc1ccc(C(=O)O)o1	1601274753	FCCCDIKEYPRMGC-UHFFFAOYSA-N	307.350	1.694	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@@H]1CCc2nccn2C1	1602231187	TYWVOCLWBJJHQA-SECBINFHSA-N	318.308	1.426	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)c1cc(F)cc2nn[nH]c12	1602472416	DUNQBGFTXVKIBG-UHFFFAOYSA-N	315.264	1.552	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@H](C(=O)O)C1)c1ccccc1Cl	1601553660	PKWDLYLRVKNRPS-ZJUUUORDSA-N	324.764	1.992	50	20	DDGD	
O=C(O)c1ccnc(C(=O)NNc2nc3ccncc3s2)c1	1602481931	LKXBBMXFZQOZTG-UHFFFAOYSA-N	315.314	1.541	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNc2ccc(CC(=O)O)cc2)n1	1600598031	KNNPJLPFFWJVQH-LLVKDONJSA-N	316.361	1.598	50	20	DDGD	
O=C(NNC(=O)C(=O)O)NC1CCC(c2ccc(F)cc2)CC1	1608477343	GXPKYVHXSZFZIZ-UHFFFAOYSA-N	323.324	1.267	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CCC[C@H](C(N)=O)C2)cc1C(=O)O	1600463092	WCCKAZIBCQVISE-QWRGUYRKSA-N	319.361	1.428	50	20	DDGD	
O=C(CC1CCCC1)NCC(=O)NNc1ccccc1C(=O)O	1601252334	BBPQYVDCEMQLOE-UHFFFAOYSA-N	319.361	1.524	50	20	DDGD	
N#Cc1ccc(CCC(=O)NNc2ccc(C(=O)O)cn2)cc1	1610627399	GIPHOEJQSNDSSN-UHFFFAOYSA-N	310.313	1.727	50	20	DDGD	
O=C(NN=Cc1cccc2c1CCC2)[C@H]1CN2CCC[C@H]2CO1	1549316185	RLIZQCAFQSUHOI-DOTOQJQBSA-N	313.401	1.489	50	20	DDGD	
CO[C@]1(C)CC(=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)C1(C)C	1549318731	QVJKKQJTPGSCIK-MQIPJXDCSA-N	309.410	1.157	50	20	DDGD	
C#CC(=O)N1CCC2(CCCN(C(=O)[C@@H](F)Cl)C2)CC1	1810913029	OENZXYQZGFCMFL-GFCCVEGCSA-N	300.761	1.385	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)[C@H]3CCCNC3)cc2s1	1579871175	HPQGAHLDNPVRKI-NSHDSACASA-N	318.402	1.365	50	20	DDGD	
CC(C)[C@H](C(=O)O)C(=O)NNC(=O)c1ccc(Cl)cc1F	1588808163	LRZNUJHODFLCDF-JTQLQIEISA-N	316.716	1.597	50	20	DDGD	
O=C([C@H](F)Cl)N1CCCC12CN(C(=O)C(F)(F)Cl)C2	1843367026	DFHRNGJOEKRQKK-LURJTMIESA-N	319.110	1.556	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)CN(C)C)C2	1841667287	BPRWOWQZCWFDSR-LBPRGKRZSA-N	315.845	1.159	50	20	DDGD	
O=C([C@@H]1CCCOC1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843367567	NFJSBPIFDCOOCQ-MNOVXSKESA-N	318.776	1.151	50	20	DDGD	
CC(C)[C@@H](S)C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1841625044	JQZKMYZITJIZFE-ZJUUUORDSA-N	322.833	1.679	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNc1cccc(F)c1C(=O)O	1591124146	GKEZHPHHYVUGOQ-QMMMGPOBSA-N	311.313	1.115	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)C#N	1847346244	BXOFFRCHGMGCJY-SRVKXCTJSA-N	311.813	1.755	50	20	DDGD	
COc1cc(C(=O)NNc2cccc(F)c2C(=O)O)sn1	1599355489	WUCJSGXDIMKUQQ-UHFFFAOYSA-N	311.294	1.746	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2ccoc2C(=O)O)cc1OC	1599485069	URVUOZYKMNUOGT-UHFFFAOYSA-N	318.285	1.759	50	20	DDGD	
CO[C@@H]1CCCCC1=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1591363020	VIEDWVHEESSRPJ-CYBMUJFWSA-N	314.349	1.542	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCC(=O)O)c2ccccc2n1	1594281151	UTLCRDBRDPOAQH-UHFFFAOYSA-N	301.302	1.169	50	20	DDGD	
CCCN(NC(=O)[C@H]1CC[C@@H](C(=O)O)O1)C(=O)OC(C)(C)C	1595894771	VQBRYMYWHDGPEI-ZJUUUORDSA-N	316.354	1.297	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2c[nH]c3c(C(=O)O)cccc23)cn1	1776044679	NLLIXTUCMRYAPO-UHFFFAOYSA-N	311.301	1.364	50	20	DDGD	
CCc1ccc(C(=O)NN=Cc2cc(C(=O)O)nn2C)cc1	1776025222	MIGAJWDULYNZTA-UHFFFAOYSA-N	300.318	1.445	50	20	DDGD	
O=C(NN=Cc1cccn2c(C(=O)O)cnc12)c1ccccc1O	1776017701	YZTXCVOKKXDIJY-UHFFFAOYSA-N	324.296	1.502	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc[nH]1)[C@@H](F)Cl	1795068761	YJAIMSWVLRFGQD-PKIKSRDPSA-N	314.748	1.196	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(Br)cc1[N+](=O)[O-]	158934660	XAEJAZSIYSBCBA-UHFFFAOYSA-N	318.083	1.358	50	20	DDGD	
Cc1ccc([C@@H](C)NC(=O)NNC(=O)C(=O)N2CCCC2)cc1	155104975	AJUJSEQKEQVQCH-GFCCVEGCSA-N	318.377	1.009	50	20	DDGD	
O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12)NNC(=O)c1ccc[nH]1	155587131	RKVUMZBXGLBMDG-GZBFAFLISA-N	310.357	1.545	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccccc1Cl)c1ccccc1	154181530	PYYGJEFWWAYHSX-CYBMUJFWSA-N	304.733	1.835	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)c2c(C)noc2C)c(O)c1	155936806	OBLWWZVAHFFMFD-VIFPVBQESA-N	317.345	1.870	50	20	DDGD	
O=C1NC[C@@H]2CN(C[C@H](CBr)C3CC3)CCN12	859160673	JLPPZUVBGNGNSM-WDEREUQCSA-N	302.216	1.117	50	20	DDGD	
CN(CCC(=O)N1CCCC1)NC(=O)OCc1ccccc1	859386156	FIYICFUNJXVYHJ-UHFFFAOYSA-N	305.378	1.772	50	20	DDGD	
CCc1ccc(C(=O)NNC(=S)NCCCC(=O)OC)cc1	7967203	WAPHFZBTNFGPNQ-UHFFFAOYSA-N	323.418	1.311	50	20	DDGD	
COCCCCNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	58309776	OUNLWEBTAADYGX-ZSOIEALJSA-N	300.362	1.655	50	20	DDGD	
O=C(CSc1ncccn1)NNC(=O)c1ccccc1Cl	10861089	VEAHNADIOHQHEF-UHFFFAOYSA-N	322.777	1.683	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)Nc1ccncc1	56498940	MLGBOKAMWMQTEW-JTQLQIEISA-N	318.308	1.841	50	20	DDGD	
Cc1cc(N2CCCC2)ccc1NC(=O)NNC(=O)CCO	119946832	QLIWRNLSKGBAPJ-UHFFFAOYSA-N	306.366	1.130	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCCOc1cccc(F)c1	109859779	XXPSHKAOZGMOFU-UHFFFAOYSA-N	320.324	1.477	50	20	DDGD	
C[C@H]1CC[C@@H](CCC(=O)NNc2nc(-c3ccncc3)no2)O1	175895156	QQZSFPWLBPSNIE-JQWIXIFHSA-N	317.349	1.922	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H](C)CN2CCC[C@H](C)C2)n1	56785650	PPHFQZIFTQWMNU-FZMZJTMJSA-N	320.441	1.840	50	20	DDGD	
N#CCSCC(=O)NNC(=O)c1ccc(Cl)cc1F	175814560	IBJJAUVDRMXPST-UHFFFAOYSA-N	301.730	1.497	50	20	DDGD	
C[C@@H]1CC[C@@H](CCC(=O)NNC(=O)COCc2ccccc2)O1	174086261	IWOWSIBVUQJJGV-HIFRSBDPSA-N	320.389	1.698	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccc(F)nc1	114247192	REOVXUKYHSEOCR-UHFFFAOYSA-N	303.293	1.233	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H]1CCCc2ccccc21	65205814	XCTBTJVEIUILKW-AWEZNQCLSA-N	305.378	1.473	50	20	DDGD	
CCc1cc(NNC(=O)Cc2ccn[nH]2)nc(-c2ccccn2)n1	173376403	WOTOJTKUBZCERG-UHFFFAOYSA-N	323.360	1.510	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CNc2ccccc2[N+](=O)[O-])o1	176210307	OSJOYCOTHWMDGD-UHFFFAOYSA-N	318.289	1.369	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Cc1ccc2c(c1)OCCO2	171483836	CJLKJARJQSTFAS-UHFFFAOYSA-N	306.362	1.584	50	20	DDGD	
CN1CC[C@H](NC(=O)NNc2ccc(Cl)cc2Cl)C1=O	172627445	WVMKHZXKUPLCBN-JTQLQIEISA-N	317.176	1.850	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccc(C)cc2F)c1O	175242583	JMKUAGKAFKCAMJ-UHFFFAOYSA-N	318.304	1.923	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2cc(N)nc(Cl)c2)c1	179587710	DECWMEUBBJAYOH-UHFFFAOYSA-N	323.143	1.994	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1cc(F)c(O)c(F)c1	176984092	AESGPQUBTBLOAU-UHFFFAOYSA-N	324.258	1.813	50	20	DDGD	
Cn1cc([C@@H]2C[C@H]2C(=O)NNC(=O)c2ccc(Cl)cc2)cn1	68280852	MFJITBZDKFBPKE-QWHCGFSZSA-N	318.764	1.638	50	20	DDGD	
COCCN(C)CCCNC(=O)NNc1c(F)cccc1F	118569763	KWCCTGBBMJUDTH-UHFFFAOYSA-N	316.352	1.559	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)COC)cc1OC	22443397	HNSOCGBNDMQRNE-UHFFFAOYSA-N	310.350	1.282	50	20	DDGD	
Cc1ccc(Cl)c(NC(=O)C(=O)NNc2cnccn2)c1	122296924	AXINMSOUYRJCNF-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
Cc1cc(C)cc(OCCC(=O)NNC(=O)c2c[nH]nc2C)c1	110762181	VUMSARBGOWOZKQ-UHFFFAOYSA-N	316.361	1.565	50	20	DDGD	
O=C(NNC(=O)c1cccnc1O)c1cnn(-c2ccccc2)c1	112930596	BIDZRRNVIRPODG-UHFFFAOYSA-N	323.312	1.048	50	20	DDGD	
COc1ccccc1CC(=O)N/N=C1/C(=O)Nc2ccccc21	63387193	PVWMOTCAHKZQIL-UHFFFAOYSA-N	309.325	1.710	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)c2ccc(C#N)cc2)cn1	129112876	KEKGORQRGREUAZ-UHFFFAOYSA-N	309.329	1.094	50	20	DDGD	
CCOC1CC(CC(=O)NNC(=O)Cc2ccc(F)cc2)C1	189927004	JUHQPPFDARVVDX-UHFFFAOYSA-N	308.353	1.721	50	20	DDGD	
C[C@H]1COCCN1S(=O)(=O)c1ccc(CCCl)cc1	36900513	ARZOGNAJBAUJDY-NSHDSACASA-N	303.811	1.877	50	20	DDGD	
O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)NNc1ccncc1	180501139	HKHBPPSRXRLBPL-UHFFFAOYSA-N	311.345	1.717	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2c(F)cccc2F)n1	182761100	HIRLXZDAEPTZRB-UHFFFAOYSA-N	323.303	1.631	50	20	DDGD	
O=C(NNc1nc2ccccc2c(=O)[nH]1)c1cc(Cl)c[nH]1	137165709	GODTUJROGSKVTK-UHFFFAOYSA-N	303.709	1.662	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Cn2c(C)nc3ccccc32)n1	42061084	IFWFYWCKFQDSQO-UHFFFAOYSA-N	310.361	1.895	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)Nc1cccc(F)n1	134279400	GBNKCXKDYUPDGR-UHFFFAOYSA-N	322.271	1.592	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2cc(F)c(F)cc2F)c1	190037352	QJWHYPQEBHYZIH-UHFFFAOYSA-N	324.262	1.889	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)nn1	132806191	MFOOKIVJWYLUNX-QJPTWQEYSA-N	317.393	1.625	50	20	DDGD	
COc1nccnc1NNC(=O)COc1c(C)cccc1C	131816908	NXYRMERZGMFDSF-UHFFFAOYSA-N	302.334	1.624	50	20	DDGD	
O=C(Cc1c(F)cccc1F)NNc1nc2ccccn2n1	191929816	NNFQAFVIRBLTBM-UHFFFAOYSA-N	303.272	1.693	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCN(C)C2CCCC2)o1	84157808	GKSGZLJRQUCOMA-UHFFFAOYSA-N	308.382	1.406	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1cccc(Br)c1C	131737871	ZOBPSCUBICSLKV-UHFFFAOYSA-N	307.169	1.087	50	20	DDGD	
CC1CCN(CC(=O)NNC(=O)Cc2ccccc2F)CC1	136975103	NUJYVMRCWVBOCP-UHFFFAOYSA-N	307.369	1.248	50	20	DDGD	
Cc1nn(CC(=O)NNC(=O)CC2CCCC2)c(C)c1Cl	195208526	ZGLRVQNQAPBPCX-UHFFFAOYSA-N	312.801	1.881	50	20	DDGD	
COC(=O)c1cccc(CC(=O)NNc2cc(C)nc(C)n2)c1	89494879	DKMBXLVJXPVFRC-UHFFFAOYSA-N	314.345	1.566	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cc(O)nc2ccccc12	191901325	WSXWJDWSZNMHMX-UHFFFAOYSA-N	320.312	1.740	50	20	DDGD	
CCOC1CC(CCNC(=O)NNc2nc(C)cc(C)n2)C1	191721577	BOCLOHKQCMBULC-UHFFFAOYSA-N	307.398	1.925	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)C(=O)NNC(=O)c1ccc(C#N)cc1	132039805	GVSWEFWMIXVNJD-VIFPVBQESA-N	311.345	1.463	50	20	DDGD	
CS[C@H](CO)[C@H](C)NS(=O)(=O)c1ccc(CCl)cc1	381829865	PNHGNSIPKQKKKH-JOYOIKCWSA-N	323.867	1.816	50	20	DDGD	
O=C(NNc1ccncc1)Nc1ccn(Cc2ccncc2)n1	190199502	FBWCOCHRWQZCLT-UHFFFAOYSA-N	309.333	1.870	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2ccnc(F)c2)c1C	190308838	QGXIFUQCEGWIIX-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)CSCC(F)(F)F)C1CC1	90426024	ORENJQKUKWTXCW-ZCFIWIBFSA-N	315.386	1.576	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCc3ccccc32)s1	143750504	MDFKQILWCWCUNU-UHFFFAOYSA-N	315.398	1.880	50	20	DDGD	
O=C(NNc1cnccn1)Nc1ccn(CC(F)(F)F)n1	92930558	FYGOSCCMBYSJRH-UHFFFAOYSA-N	301.232	1.384	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cnn(-c2ccccc2)c1C	92930447	YWTMGMMVJVWPFF-UHFFFAOYSA-N	303.322	1.963	50	20	DDGD	
COc1ccc(C=NNC(=O)c2cnccn2)c(OC)c1OC	254407586	SQWXVIKYOSZLPF-UHFFFAOYSA-N	316.317	1.266	50	20	DDGD	
CCN(CC)S(=O)(=O)NNC(=O)c1cccc2ncccc12	264717902	AMWDMOYDZFHDKO-UHFFFAOYSA-N	322.390	1.056	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)COc1ccccc1F	269489423	NUVUHZXXYZNBFF-LLVKDONJSA-N	300.355	1.494	50	20	DDGD	
CO[C@@H](C)CCNC(=O)NNC(=O)C(C)(C)c1ccccc1	264667967	PQHIRFSNRMXBKW-LBPRGKRZSA-N	307.394	1.720	50	20	DDGD	
COC[C@@H]1CCN(C(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)C1	266021716	QEQKTRMQSQTQDB-WXYNBALXSA-N	312.373	1.607	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCCS2)c1	266554884	SVHSTBQIPFEHRQ-LBPRGKRZSA-N	305.428	1.881	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(C(F)(F)F)cc1)C1CCC1	264772154	PILFAYFGZOKOJH-UHFFFAOYSA-N	322.308	1.815	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)N1C[C@@H](O)C[C@H]1CO	360012631	CHJASHGFFKRVGR-SDDRHHMPSA-N	305.465	1.655	50	20	DDGD	
COc1ccnc(NNC(=O)C[C@@H]2CSCCS2)n1	269714697	RNKBNHNQLMITTQ-MRVPVSSYSA-N	300.409	1.167	50	20	DDGD	
CSc1ccc(NC(=O)C(=O)NNC(=O)CC(C)C)cc1	274205538	SGBVUFGQGHNASZ-UHFFFAOYSA-N	309.391	1.541	50	20	DDGD	
COC(=O)NNC(=O)c1cc(NC(C)=O)cc(C(F)(F)F)c1	274275684	ICWXBSHYRSDKSX-UHFFFAOYSA-N	319.239	1.665	50	20	DDGD	
CN(NC(=O)c1cnn(C(C)(C)C)c1-c1ccccc1)C(N)=O	277817580	LLYUNRWCUIYBSN-UHFFFAOYSA-N	315.377	1.960	50	20	DDGD	
O=C(O)c1cc(NS(=O)(=O)CCCCCl)ccc1O	276220480	LRSTVEAPHWKAKQ-UHFFFAOYSA-N	307.755	1.851	50	20	DDGD	
CSCCONC(=O)NNC(=O)c1ccc(Cl)cc1F	279740219	XEVCWCAGUATEKP-UHFFFAOYSA-N	321.761	1.718	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@H](C)COCC(F)(F)F	276696466	MEKHSGPKDONVCL-SECBINFHSA-N	306.288	1.984	50	20	DDGD	
C=C(C)C[C@H](C)C(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C	274561146	WKYWJPITGNGATA-WDEREUQCSA-N	313.398	1.649	50	20	DDGD	
COc1ccc(COCCNC(=O)NNc2ncccn2)cc1	271370663	JEIPYZJIAYBEDU-UHFFFAOYSA-N	317.349	1.328	50	20	DDGD	
CC1(C)C(CNC(=O)NNC(=O)Cc2ccncc2)C1(C)C	279781599	LHQRYQWNWGKPPY-UHFFFAOYSA-N	304.394	1.637	50	20	DDGD	
O=C(NNc1nnc(C2CC2)s1)c1ccnn1CC(F)F	279887792	YZJWIIGSQHNDCE-UHFFFAOYSA-N	314.321	1.634	50	20	DDGD	
COCCCNC(=O)NNC(=O)C(F)(F)c1ccc(C)cc1	272747614	JFLFYQPAEQPLPO-UHFFFAOYSA-N	315.320	1.454	50	20	DDGD	
O=S(=O)(CBr)N1CCCC[C@@H]1c1ncc[nH]1	272768866	DXVXXQKQISMXOT-MRVPVSSYSA-N	308.201	1.619	50	20	DDGD	
COCc1cnc(NC(=O)NNc2ccc(OC)cn2)s1	287325086	VMDUAJVSTHMLRZ-UHFFFAOYSA-N	309.351	1.842	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](C)CNC(=O)OC(C)(C)C)nc1	286895963	XTDWMMWGMDVKLS-JTQLQIEISA-N	324.381	1.694	50	20	DDGD	
O=C1CC[C@@H](NC(=O)NNc2c(F)cccc2F)C2(CCC2)N1	282973387	PAROKGRJACHYEO-LLVKDONJSA-N	324.331	1.792	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)NCc1cncn1C	298770393	ZTXNXSJMXJRSLU-UHFFFAOYSA-N	323.788	1.813	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@H]1CCCN1C(=O)C(F)(F)F	807216427	XBILVPNWPHEJDG-MRVPVSSYSA-N	320.246	1.217	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)c1cc2n(n1)CCC2	294410230	ANTFYSJSTRGPDD-UHFFFAOYSA-N	312.373	1.613	50	20	DDGD	
COc1cccnc1CC(=O)NNC(=O)c1ccc(C)cc1O	806527128	IKBJLXWHWDJUTC-UHFFFAOYSA-N	315.329	1.108	50	20	DDGD	
COc1cccc(C(=O)NCC(=O)N(C)CC(Cl)Cl)c1	808246629	GOSGMKIHGPDFSF-UHFFFAOYSA-N	319.188	1.687	50	20	DDGD	
C[C@@H]1CSC[C@@H]1NC(=O)NNC(=O)CCc1ccccc1	805790713	DDTLVTRJQMZBAM-YPMHNXCESA-N	307.419	1.701	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@@H]1CCC[C@H]1CCO	298330941	ONUDQYQTLTXJNC-GZMMTYOYSA-N	300.309	1.537	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cnn(C)c1-c1ccccc1	806778323	DAFOJUPTMYCTCG-UHFFFAOYSA-N	301.350	1.896	50	20	DDGD	
O=C(NNc1ncccc1F)c1cn(Cc2cccs2)nn1	804217291	WXABOEQGIDIZQU-UHFFFAOYSA-N	318.337	1.679	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C1(C)CCCC1	299221826	MFIDKCBNARCXGH-UHFFFAOYSA-N	306.362	1.802	50	20	DDGD	
CCOc1ccccc1CNC(=O)NNC(=O)[C@@H]1CCCCO1	296426935	SLSSQWQPYCNXEK-AWEZNQCLSA-N	321.377	1.485	50	20	DDGD	
CNc1nc(C)cc(C(=O)NNc2cnc3ccccc3n2)n1	807425991	GLPOLTKQXCFTQI-UHFFFAOYSA-N	309.333	1.527	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	294273883	PJURTPCOEPXYGP-HJIYYDOVSA-N	304.346	1.423	50	20	DDGD	
CC(C)[C@H](NC(=O)NNc1ccc(F)cc1)c1nncn1C	807431539	GNMIQHYHAOEMPG-LBPRGKRZSA-N	306.345	1.978	50	20	DDGD	
Cc1nc2ccc(NC(=O)NNC(=O)c3ccccc3C)cn2n1	809895566	WWZYWGVPGQSJRJ-UHFFFAOYSA-N	324.344	1.813	50	20	DDGD	
COC(=O)Cc1cccc(NC(=O)NNc2cccc(F)n2)n1	806454957	LPJKGOPIVYENMH-UHFFFAOYSA-N	319.296	1.480	50	20	DDGD	
CCN(CC(=O)NNC(=O)Cc1nc(C)cs1)C1CCCC1	298785571	XGLHQAJACJOIMR-UHFFFAOYSA-N	324.450	1.406	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ncsc1C(C)C	291464393	ILVNPAQFMLUPOD-UHFFFAOYSA-N	300.384	1.247	50	20	DDGD	
C[C@@H]1SCCC1=NNC(=O)C1CCN(c2ncccn2)CC1	814837251	NVMSWNSHWLOHOR-NSHDSACASA-N	319.434	1.691	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2cc(C=O)c[nH]2)c1	814720991	YZDPNMANVFMOKH-UHFFFAOYSA-N	315.329	1.284	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C)cc1	819018877	ZAWVXCUVEXJVIT-GXTWGEPZSA-N	317.389	1.907	50	20	DDGD	
C[C@@H](CBr)COC(=O)[C@H]1CCc2nnn(C)c2C1	811345157	ODAUCWCZUSWUFD-IUCAKERBSA-N	316.199	1.494	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)CC1CC1)NC(=O)C1CCCCC1	819114514	KEYOTPKKXTWBTR-LLVKDONJSA-N	309.410	1.409	50	20	DDGD	
O=C(NN=Cc1ccc2[nH]ccc2c1)C(=O)Nc1ccccn1	811644754	JDGBIQLJHVHFAC-UHFFFAOYSA-N	307.313	1.652	50	20	DDGD	
O=C(O)CCCNC(=O)NNC(=O)c1cccc2cccnc12	819443269	YVKRKFAJQVWFNC-UHFFFAOYSA-N	316.317	1.044	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)NCC2CCC2)cc1OC	727270218	GVCGHUPSNIDHMO-UHFFFAOYSA-N	323.418	1.613	50	20	DDGD	
CCN(c1ccc(C(=O)NNc2cnnn2C)cc1)C(C)C	816769497	KYDNXPUZFDMEHM-UHFFFAOYSA-N	302.382	1.807	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C1(C)CC(F)(F)C1	822778879	PTYDOFNQGLJGKT-UHFFFAOYSA-N	308.325	1.358	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc2cc[nH]c2n1	826446894	CTRYEAPBCCKGDJ-UHFFFAOYSA-N	320.316	1.500	50	20	DDGD	
CN(CCC(=O)OC(C)(C)C)C(=O)/C(C#N)=C/c1cnn(C)c1	491084767	PBQBJEOMMJSYRR-MDWZMJQESA-N	318.377	1.517	50	20	DDGD	
C=CCOCC(=O)NNC(=O)c1ccc(CN(CC)CC)o1	729341449	WFKFBKCUKUBVDQ-UHFFFAOYSA-N	309.366	1.085	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc(Cl)n1	823474927	MHTRGWNWRPZCGQ-GZMMTYOYSA-N	311.769	1.483	50	20	DDGD	
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccncc1	495424764	QYIKUEJLUCQFFS-LLVKDONJSA-N	322.365	1.146	50	20	DDGD	
N#C/C(=C\c1cnc(N2CCCC2)nc1)C(=O)N=c1cc[nH]cc1	490814590	VYXDRTQLUMGGOP-NTEUORMPSA-N	320.356	1.439	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc(O)cc1O	826448926	SQTGOPUNRFOQGE-UHFFFAOYSA-N	312.289	1.035	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1c(Cl)nc(Cl)n1C	728437578	FCAVCVQUHFPOCC-FNORWQNLSA-N	304.133	1.823	50	20	DDGD	
CCC1(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CCC1	820945458	UGIMTRFPGINAML-UHFFFAOYSA-N	314.349	1.208	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)NNC(=O)C(C)(C)C	496448661	DWPJXKXAZMPHFC-NXEZZACHSA-N	315.414	1.729	50	20	DDGD	
Cc1ccccc1NNC(=O)Cc1cccc(-c2nn[nH]n2)c1	822361850	ITIGGUCTMGGLMZ-UHFFFAOYSA-N	308.345	1.861	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(C(=O)NCC2CC2)ccc1C	492390044	GMIDZQVBDZCGSB-UHFFFAOYSA-N	320.349	1.527	50	20	DDGD	
C[C@@]1(N)CCCC[C@@H]1C(=O)NNc1nc(-c2ccncc2)no1	828217563	DDZPTBFDYQZLGV-IAQYHMDHSA-N	316.365	1.482	50	20	DDGD	
OB(O)c1ccc(CNc2cccc(COCC3CC3)c2)cc1	585011884	GQCWZDUVGSSEAK-UHFFFAOYSA-N	311.190	1.905	50	20	DDGD	
CN(CC(=O)NNc1nc(-c2cccnc2)no1)c1ccccc1	728075265	WFROUXPMBKONAE-UHFFFAOYSA-N	324.344	1.711	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCC(=O)N(C)OC)cc1	491043640	AEFCECATOQGBFP-LCYFTJDESA-N	317.345	1.128	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@](N)(c1cccc(F)c1)C(F)(F)F	495842781	YPVVNJPMZIPYRZ-NSHDSACASA-N	323.246	1.271	50	20	DDGD	
CC(C)(COCc1ccccc1)C(=O)N1CC[C@@H](B(O)O)C1	585064520	RHUHKQMTGVTOGV-CQSZACIVSA-N	305.183	1.305	50	20	DDGD	
O=C(O)CCCCNC(=O)NNc1ncnc2ccsc12	821518736	BTHXRDVWAADQFI-UHFFFAOYSA-N	309.351	1.572	50	20	DDGD	
CC(C)(C)OC(=O)N1[C@H](C=NNC(=O)C(F)F)COC1(C)C	496590204	IJIIPLYGLNLYDU-MRVPVSSYSA-N	321.324	1.726	50	20	DDGD	
CCCn1cc(C(=O)NNc2cccc(F)c2C(=O)OC)nn1	822728835	ZMNJVUJLLYCDJR-UHFFFAOYSA-N	321.312	1.371	50	20	DDGD	
OB(O)c1ccc(CNC[C@H]2CCCC[C@H]2C(F)(F)F)cc1	585031945	ZZSLHEGQWIGSHB-TZMCWYRMSA-N	315.144	1.825	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNc1ncncc1Cl	496619953	BBAVXHSFZXCJAD-CBAPKCEASA-N	315.761	1.344	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCc1ccc(OC(F)(F)F)cc1	823959964	SWZVJQFZNZGQTQ-SNVBAGLBSA-N	320.311	1.862	50	20	DDGD	
COC(=O)NNS(=O)(=O)C1=Cc2ccc(OC)cc2CC1	495910741	BOOMWEAHMMOXGE-UHFFFAOYSA-N	312.347	1.173	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc2nc(C(F)(F)F)cn2c1	823935696	VOAUPJFOQXGRQA-QMMMGPOBSA-N	316.283	1.311	50	20	DDGD	
CCCNC(=O)NN=Cc1ccc(OCC(=O)O)c([N+](=O)[O-])c1	731558356	TXLRSZAAMFKPSB-UHFFFAOYSA-N	324.293	1.101	50	20	DDGD	
C[C@]1(CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)CCCO1	820619051	WLWQNILWRWYLMB-CQSZACIVSA-N	317.353	1.062	50	20	DDGD	
CN(C)CCCCC(=O)NNc1ccccc1S(C)(=O)=O	732303999	PLLARGRXEVXZAS-UHFFFAOYSA-N	313.423	1.265	50	20	DDGD	
CC(C)(O)CCC(=O)NNc1cccc(Br)n1	837211833	LFGSFEKZXQJLDP-UHFFFAOYSA-N	302.172	1.838	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	832963161	SHGIPWCWSPJIRZ-NSHDSACASA-N	312.295	1.641	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)CCc1cccc(F)c1	901836890	OHAIEPFHMKQFIF-UHFFFAOYSA-N	302.371	1.365	50	20	DDGD	
N#C/C(=C/c1cn2cc(Cl)ccc2n1)S(=O)(=O)NC1CC1	588615414	FRESMJFZXOCBLM-XGICHPGQSA-N	322.777	1.934	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1cc(Cl)cc([N+](=O)[O-])c1	736064160	FZCAJQIMZGSAOG-UHFFFAOYSA-N	320.692	1.718	50	20	DDGD	
C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cccc(B(O)O)c1	584989382	COVRLRWIVJDDIM-JSGCOSHPSA-N	303.211	1.653	50	20	DDGD	
Cc1noc(C)c1C[C@@H](C)NC(=O)NNC(=O)C1CCCC1	739051580	YGMXCLWGXSMZAP-SECBINFHSA-N	308.382	1.743	50	20	DDGD	
O=C(NC[C@@H]1CCCO1)NNc1cccc(Br)n1	837313283	JRPRYIXAUFRUFF-QMMMGPOBSA-N	315.171	1.649	50	20	DDGD	
COCCC(Cc1cccc(F)c1)=NNC(=O)c1cnn(C)c1	735411357	YLWNDWXFCNNSST-UHFFFAOYSA-N	318.352	1.924	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)c1ccc(O)c(Cl)c1	734095904	AOJWQUAUJZTQAC-UHFFFAOYSA-N	304.755	1.196	50	20	DDGD	
CC(C)c1ccc(C[C@H](C)NCc2ccc(B(O)O)o2)cc1	585030579	VFYHONUGYRQJKR-ZDUSSCGKSA-N	301.195	1.804	50	20	DDGD	
C[S@@](=O)CCNC(=O)NNc1cc(C(F)(F)F)ccn1	836312623	SKGWJMIZYVKRJE-HXUWFJFHSA-N	310.301	1.105	50	20	DDGD	
CN(CCCC(=O)NNc1ccc(F)c(F)c1F)C(=O)O	737426646	HUBOPOGWOAAWFG-UHFFFAOYSA-N	305.256	1.937	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cc(Br)c[nH]1)C1CCC1	837315613	DBUUTPCZKNMMSY-SSDOTTSWSA-N	314.183	1.974	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1cccnc1)c1cccc2ncccc12	732288533	BGHBHFJAHQVIEV-OAHLLOKOSA-N	322.324	1.124	50	20	DDGD	
C[C@@H]1CCc2c(F)cccc2[C@H]1NCc1ccc(B(O)O)o1	585027263	YZGYOPPSWDWJTL-HWPZZCPQSA-N	303.142	1.512	50	20	DDGD	
C[C@H](CSc1ccccc1)C(=O)NNC(=O)N1CCOCC1	732063887	MHILINKLRNMHOV-GFCCVEGCSA-N	323.418	1.488	50	20	DDGD	
CC(=NNC(=O)c1nnc(-c2ccccc2)o1)c1cnccn1	734746807	WQYHYNHKUFKYSW-UHFFFAOYSA-N	308.301	1.681	50	20	DDGD	
CCO[C@@H]1COCC[C@H]1NC(=O)NNc1ncc(F)cc1F	838552233	OJPKUTCPKNLILE-GHMZBOCLSA-N	316.308	1.180	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@@H]1CSc2ccccc21	735688566	ZSXDFTIUHAYVNF-MRVPVSSYSA-N	304.293	1.976	50	20	DDGD	
CNC(=O)C1CCC(NC(=O)[C@]2(C)C[C@H]2Br)CC1	906442573	JFXYHWUFDOTNSE-HUQCHGAVSA-N	317.227	1.581	50	20	DDGD	
NCCCCCCNC(=O)NNC(=O)Cc1ccc(F)cc1	831254048	YTMBSCVTSAZZTI-UHFFFAOYSA-N	310.373	1.218	50	20	DDGD	
Cc1cc(C(=O)COc2ccc(B(O)O)cc2)c(C)n1C1CC1	584909682	PBIJUBALNKCJRX-UHFFFAOYSA-N	313.162	1.381	50	20	DDGD	
CCC(C)(C)OCC(=O)NNc1nc2ccccc2c(=O)n1C	837417991	IEULQQQLQIFYCH-UHFFFAOYSA-N	318.377	1.582	50	20	DDGD	
O=C(O)COc1cccc(C=NNC(=O)NCc2ccco2)c1	733203743	YNLFFRGJHAKPAM-UHFFFAOYSA-N	317.301	1.576	50	20	DDGD	
COc1ccnc(NNC(=O)NCC[C@@H]2C[C@H]3CC[C@H]2O3)n1	838752449	HDPJBHKJKPHKOC-GMTAPVOTSA-N	307.354	1.069	50	20	DDGD	
O=C(CC1OCCO1)NNc1cccc(Br)n1	837212411	QXSPYXYXMRYKNL-UHFFFAOYSA-N	302.128	1.050	50	20	DDGD	
C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1CC(=O)NNC(=O)C1CC1	830438998	ADFZBWILCDAMRQ-IOASZLSFSA-N	315.417	1.810	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCO[C@H](c2ccc(F)cc2)C1	731848687	KXBFSUZDMXTVKK-RISCZKNCSA-N	323.368	1.145	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C1CCC1	837310347	AMIIJLRBKYWHLE-HZMBPMFUSA-N	304.346	1.410	50	20	DDGD	
O=C(NNc1ccc(F)cn1)N[C@H]1C[C@@H]2CCCCN2C1=O	836692746	XKNBGABYPMNOFN-QWRGUYRKSA-N	307.329	1.000	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NC[C@H]2C[C@H](O)C2)cc1	834780497	HJMYXVVCCJZCCT-GGFDAMFSSA-N	300.358	1.879	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1ccc(C(F)(F)F)cc1	833384084	BCACSFLKNUWPRF-UHFFFAOYSA-N	303.240	1.813	50	20	DDGD	
CC1(C)OCC(C)(C(=O)NNc2cccc(C(=O)O)c2)CO1	833562098	HIFFNASWGNDNFW-UHFFFAOYSA-N	308.334	1.617	50	20	DDGD	
CCO[C@@H]1COC[C@H]1NC(=O)NNc1cc(F)c(F)c(F)c1	838718874	GXKDSYGVQFUXII-GHMZBOCLSA-N	319.283	1.534	50	20	DDGD	
CC[C@H](Oc1ccccc1Cl)C(=O)NN(C)C[C@H](C)O	910161726	AGOMKIKVURWYRO-JQWIXIFHSA-N	300.786	1.841	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCOCC2)s1)c1ccncc1	916243199	MQDLIOGTWIPJHJ-UHFFFAOYSA-N	316.386	1.744	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(C(C)(C)C)n[nH]2)c(O)c1	918702607	VUBIYQXECVDHOR-UHFFFAOYSA-N	316.361	1.796	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1cc(-c2ccco2)[nH]n1	743471179	UAIMBQAHWBCHDN-UHFFFAOYSA-N	310.277	1.093	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@@H]1C[C@H](C)O[C@@H]1C	840436707	QLWHZEMQRGNIHB-TUAOUCFPSA-N	321.377	1.453	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1C[C@@]12CCc1ccccc12	843653154	MHOKWGFKYJDUIY-MCTKYDIJSA-N	314.385	1.463	50	20	DDGD	
O=C(NNC(=O)c1csc2cncn12)NC1CCCCC1	746094898	USKODIQGHXTHOO-UHFFFAOYSA-N	307.379	1.673	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NNC(=O)c1c[nH]c2ccccc12	746101235	STKDNLGVOMUPKZ-VXGBXAGGSA-N	314.389	1.802	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC[C@H](c2ccccc2F)C1	744398214	MFMSDTJVJUSHTQ-LBPRGKRZSA-N	321.396	1.809	50	20	DDGD	
O=C(NNc1cnccn1)c1ccc(-c2n[nH]c(C3CC3)n2)cc1	748850067	LMHNTOQGDVFIRF-UHFFFAOYSA-N	321.344	1.896	50	20	DDGD	
CCO[C@H](C)c1ncc(C(=O)NNC(=O)c2ccncc2)s1	742463274	PTAFGYNQMXKVJU-SECBINFHSA-N	320.374	1.710	50	20	DDGD	
Cc1cc(F)c2c(c1)C(=NNC(=O)CC(F)(F)F)C(=O)N2	917552563	RYGQUVRQAVYODB-UHFFFAOYSA-N	303.215	1.859	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)C2=COCC2)cc1	841375542	HUJDAWVMMNALRR-UHFFFAOYSA-N	307.375	1.707	50	20	DDGD	
C[C@H]1CCCC[C@H]1OCC(=O)NNc1ncnc2[nH]cnc12	743471096	QOLQMZQSZINBJG-VHSXEESVSA-N	304.354	1.391	50	20	DDGD	
CC[C@@H]1COCCN1CCNC(=O)[C@@]1(C)C[C@H]1Br	913809758	UZZPMABHCIESPN-WZRBSPASSA-N	319.243	1.387	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C1SCCCS1	841113161	QBBGHNXISRRZEA-UHFFFAOYSA-N	312.416	1.652	50	20	DDGD	
O=C(CCc1cccc(F)c1F)NNC(=O)c1cccnc1	749838824	VCDZXPYSRBGNRU-UHFFFAOYSA-N	305.284	1.754	50	20	DDGD	
CC1(C)CC(=NNC(=O)c2ncccn2)c2sc(N)nc2C1	841666878	ZKHHYLMZCLEVAZ-UHFFFAOYSA-N	316.390	1.622	50	20	DDGD	
Cc1c(NNC(=O)c2cnn3cccnc23)cccc1[N+](=O)[O-]	748673235	DANROSDNZUNTDB-UHFFFAOYSA-N	312.289	1.703	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1)C1CCS(=O)(=O)CC1	749270961	IERWKNUEJVPKIU-UHFFFAOYSA-N	302.783	1.608	50	20	DDGD	
COCC1(CC(=O)NNC(=O)CNc2ccccc2OC)CC1	844127801	HEFXHEYHFKBOHB-UHFFFAOYSA-N	321.377	1.071	50	20	DDGD	
Cn1c(NNC(=O)c2cn(C(C)(C)C)nn2)nc2ccccc21	848380736	QCYNSRFXLFWGDC-UHFFFAOYSA-N	313.365	1.677	50	20	DDGD	
CC(C)c1ccc2c(c1)C(=NNC(=O)N1CCOCC1)C(=O)N2	745603023	QYKUFFVMVNIUSG-UHFFFAOYSA-N	316.361	1.508	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@H](OC(C)C)C1	844379251	ORHOMTWGBOKUKY-KBPBESRZSA-N	313.442	1.458	50	20	DDGD	
CCC(C)(C)OCC(=O)NNc1cc(O)nc2ncccc12	913988058	OKNVROUFQALRPR-UHFFFAOYSA-N	304.350	1.984	50	20	DDGD	
O=C(NCc1ccccc1[N+](=O)[O-])NNC(=O)C1CCCC1	916374057	YMHYQIAXHIDYBH-UHFFFAOYSA-N	306.322	1.615	50	20	DDGD	
O=C(NCCC[C@H]1CCCN1)NNC(=O)c1cccc(Cl)c1	842003756	KENDDRLABALCOS-CYBMUJFWSA-N	324.812	1.816	50	20	DDGD	
O=C(NNc1cnccn1)[C@H](C[C@@H]1CCCO1)C(F)(F)F	845955402	OATDBWPMGGTPCE-IUCAKERBSA-N	304.272	1.667	50	20	DDGD	
O=C(NCCOC1CCC1)NNC(=O)c1cc2c(s1)CCC2	743695279	YJFBAPFEQSAVKY-UHFFFAOYSA-N	323.418	1.750	50	20	DDGD	
CCCC[C@@H](CN)NC(=O)NNC(=O)c1ccccc1OC	841959178	NFDKIKRHTXBFOL-NSHDSACASA-N	308.382	1.157	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(C#N)cc2)[C@H](C)[C@@H]1C	842167632	WOUXVWGVGFBZDT-JHJVBQTASA-N	314.389	1.296	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1ccc2c(c1)oc(=O)n2C	842556914	CFMJWCVACSTUFF-ONGXEEELSA-N	303.318	1.007	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2ccccc2OCC(N)=O)c1	748032034	BGRCIDAYBPSSFQ-UHFFFAOYSA-N	310.313	1.179	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1cccc(Cl)c1F	843654364	HMXIVFOLSROQKG-SCZZXKLOSA-N	314.744	1.594	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cccc(OCCCOC)c1	742053799	KQYDPDPOHPVWBK-UHFFFAOYSA-N	309.366	1.456	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(OC)c(C#N)c1	748254244	XLCORDXTKUUEHQ-LLVKDONJSA-N	305.334	1.068	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C(C)(C)CNC(C)=O)cc1	846093917	JJHCBVBUNKWYQM-UHFFFAOYSA-N	322.365	1.010	50	20	DDGD	
CCCN(C)CC(=O)NNC(=O)c1ccc(Cl)cc1F	747429388	MCIOPCXJCICUKI-UHFFFAOYSA-N	301.749	1.582	50	20	DDGD	
O=C(NNc1cccc2cnccc12)[C@@H]1CC(=O)N(C2CC2)C1	748769176	FHFQRXINTOJZQE-GFCCVEGCSA-N	310.357	1.689	50	20	DDGD	
CC[C@@H](C#N)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1	845388737	OCXJSXZUWNUGFI-JTQLQIEISA-N	322.390	1.120	50	20	DDGD	
Cc1cc(NNC(=O)C[C@H](C)NC(=O)OC(C)(C)C)nc(C)n1	743461128	FAPLVZWRRQRIJR-JTQLQIEISA-N	323.397	1.840	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)Cn2ccc3ccccc32)[C@H]1OC	841624170	QVRHDKCQYCQCKX-NVXWUHKLSA-N	315.373	1.937	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H](C)c2cnn(C)c2)cc1	749866078	FOFLHKVGABYARN-NSHDSACASA-N	300.362	1.547	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1cc(OC)ccc1OC	920833865	ZBBJRKQIBUDYLY-UHFFFAOYSA-N	309.366	1.764	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1C[C@H]2CC[C@@H](O)[C@H]2C1	924016861	IQDHYZDQQKMHGR-YQKWEZHISA-N	300.333	1.962	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1noc2ccccc12	847476274	SODJTVJYJYOGPP-NXEZZACHSA-N	318.333	1.083	50	20	DDGD	
O=C(C[C@@H]1CCOC1)NNc1ccc(Br)nc1	740086215	UCDWNFZDANTXMY-QMMMGPOBSA-N	300.156	1.714	50	20	DDGD	
CCOC(=O)c1cc(/C=C(/C#N)C(=O)NC2CCCCC2)[nH]n1	843264746	JXBYPXNEERPJOB-FLIBITNWSA-N	316.361	1.942	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNc2ncc(Br)cn2)O1	848321114	JBDDRXHFMBAQPY-DTWKUNHWSA-N	315.171	1.640	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCCn1cnc2ccccc21	854925251	BPSXIOXFFXNRNB-UHFFFAOYSA-N	305.407	1.284	50	20	DDGD	
C[C@@H](CC(=O)NNC(=S)NCC1CCC1)c1ccncc1	855090705	MREBDKBMSVUEND-NSHDSACASA-N	306.435	1.871	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@H](CCCO)C2)C[C@H]1Br	856961154	WJXJUSAUXDQDPD-DMDPSCGWSA-N	319.243	1.964	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cnccn2)cc2n[nH]cc12	757820049	WDGGXTLRNILXJT-UHFFFAOYSA-N	311.305	1.128	50	20	DDGD	
O=C(NNC(=O)c1nccc2[nH]ccc12)NC1CCCCC1	854191881	CGYCKRYDJHIQCI-UHFFFAOYSA-N	301.350	1.840	50	20	DDGD	
O=C(NNC(=O)c1ccc2ccccc2n1)NC1CC(F)(F)C1	759341280	GFWLOTZGIGCQFY-UHFFFAOYSA-N	320.299	1.977	50	20	DDGD	
O=C(Cc1ccccc1[N+](=O)[O-])NNC(=O)OCC(F)(F)F	856026853	OMOPOGCXZTYATD-UHFFFAOYSA-N	321.211	1.457	50	20	DDGD	
CCC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cccs1	920382450	YBDJTOFSCFSIGO-SECBINFHSA-N	315.420	1.349	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NC[C@]1(C)C[C@@H]1Br	857386491	VMHDCYSQKKJINQ-PTRXPTGYSA-N	305.216	1.424	50	20	DDGD	
CCOCCOCCCC(=O)NNc1cnnc2ccccc12	857125983	PMCWZWNKRZJYEC-UHFFFAOYSA-N	318.377	1.906	50	20	DDGD	
C[C@@]1(CNC(=O)NCCn2ccnc2)C[C@@H]1Br	856717130	AHBHEOZIBLZILJ-ONGXEEELSA-N	301.188	1.356	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@@H]2CCOC[C@@H]2C)c1	858451648	WUBXEPMVXMLHSU-QWRGUYRKSA-N	311.407	1.673	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)N[C@H]2COC[C@@H]2C)c1	925991432	ONLQEHDJSMXDRD-JSGCOSHPSA-N	321.377	1.048	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccnc2)c2c(C)n[nH]c2n1	750663956	SIXOLIJLYHCYLM-UHFFFAOYSA-N	310.317	1.045	50	20	DDGD	
CCO[C@@H]1COC[C@H]1NC(=O)NC[C@]1(C)C[C@H]1Br	856863178	LSWYDEOVLBBVCK-BFLSOPEQSA-N	321.215	1.263	50	20	DDGD	
Cn1nccc1CCNC(=O)NC[C@@]1(C)C[C@H]1Br	856848132	CDXYSFXWOZBLEF-ZYHUDNBSSA-N	315.215	1.435	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccc(OCc2ccccc2)cc1	755320155	DTYUEKHRCXWILL-UHFFFAOYSA-N	315.329	1.411	50	20	DDGD	
CCOCCS(=O)(=O)NC[C@@]1(C)C[C@@H]1Br	856756427	PAJGAEQDVJYMGG-DTWKUNHWSA-N	300.218	1.116	50	20	DDGD	
CO[C@H]1CCC[C@H](CC(=O)NNC(=O)c2cccc(F)n2)C1	856427482	YMZLJRADQQTSAH-QWRGUYRKSA-N	309.341	1.577	50	20	DDGD	
C[C@]1(CNC(=O)c2cccc3ncnn23)C[C@@H]1Br	857392628	BCKJNPXHTKTZTI-JOYOIKCWSA-N	309.167	1.633	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C	854162965	CTNAZGSYEGAEPG-VIFPVBQESA-N	302.371	1.768	50	20	DDGD	
CC[C@@H]1C[C@@H](CC(=O)NNC(=O)c2cccc(F)n2)CCO1	856423332	RRENXUNICOKRON-WDEREUQCSA-N	309.341	1.577	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cc2c([nH]1)CCCC2	855092830	QYJHZYVNCQOHFW-UHFFFAOYSA-N	306.435	1.803	50	20	DDGD	
C[C@@H]1Cc2cc(NC(=O)NNC(=O)c3cccn3C)ccc2O1	933149092	BONDYCDDPRXPDA-SNVBAGLBSA-N	314.345	1.815	50	20	DDGD	
O=C(NN=Cc1cc(F)ccc1O)C(=O)Nc1ccccn1	755767645	COJBSENUTCZYIU-UHFFFAOYSA-N	302.265	1.015	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C2=C(C)OCCC2)c1	755405057	WSNBJNOKLOFIHV-UHFFFAOYSA-N	320.345	1.549	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cnc2nccnc2c1	759357404	OMIGWBMPVJEKGU-UHFFFAOYSA-N	310.273	1.690	50	20	DDGD	
C[C@](NC(=O)NNC(=O)c1cnccn1)(C1CC1)C(F)(F)F	933578068	FBQMKXUAHSODRC-NSHDSACASA-N	317.271	1.152	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccccc2F)c(C(F)F)n1	754824032	HWMFDZKWHBVQDC-UHFFFAOYSA-N	312.251	1.572	50	20	DDGD	
C[C@@H]1CC/C(=C/C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)C1	753633958	QJNOGHFTKKZXEV-BIIGBYBUSA-N	300.424	1.225	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2cc(F)cc(C(F)(F)F)c2)N1	863147182	AIVKYZIQWQNRIV-JTQLQIEISA-N	317.242	1.573	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)c1cccc(F)n1	765403556	OYSXGFWDUPEMID-UHFFFAOYSA-N	321.333	1.480	50	20	DDGD	
C[C@]1(CNC(=O)/C=C/CN2CCOCC2)C[C@H]1Br	869357026	NTJQPJIBYVKHHP-FTYDKLPRSA-N	317.227	1.165	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCCC[C@@H]1CCSS1	768245661	XETPCXOZHXXOOA-SECBINFHSA-N	306.453	1.619	50	20	DDGD	
CCC(=O)c1cc(C(=O)NNc2nccnc2OC)ccc1F	764470502	SGLLRJRNPKIQBZ-UHFFFAOYSA-N	318.308	1.974	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNc1ccccc1Br	866868247	KMZBFSHRAWKHED-JTQLQIEISA-N	314.183	1.807	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NNC(=O)CCc1ccccc1	862993557	OSRHXWMYPKFNLO-AWEZNQCLSA-N	303.406	1.639	50	20	DDGD	
CC[C@@H](Cc1ccccc1C)C(=O)NNC(=O)c1cn[nH]c1	862469326	GWJSUVDMNCIYOO-LBPRGKRZSA-N	300.362	1.748	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)C(=O)Nc1cccc(F)c1	763568526	MMYINWKNOBFOJG-UHFFFAOYSA-N	319.267	1.365	50	20	DDGD	
CCCOc1ccc(NCc2cccc(B(O)O)c2)cc1F	863892251	QPEVPPCCDCRSAY-UHFFFAOYSA-N	303.142	1.906	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)C2(O)CCSCC2)c1	862478500	IIWSUEOVYNKDPW-UHFFFAOYSA-N	300.405	1.076	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CCC(=O)OC(C)(C)C)c1	862479531	RKNDPLRWAOAHKK-UHFFFAOYSA-N	312.391	1.939	50	20	DDGD	
O=C1CN(C(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)CCCN1	769753112	NDTOBMGSEBHOLH-OPQQBVKSSA-N	315.211	1.289	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1CCCc2scnc21	863071851	AXSDXORLOZQWFP-LLVKDONJSA-N	322.434	1.268	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1c(C(F)F)nc2n1CCCC2	864725107	XFUPCYLOPVWIIG-UHFFFAOYSA-N	314.336	1.964	50	20	DDGD	
C[C@@H](Cn1ccnc1)NC(=O)NNc1ncnc2ccsc12	764496452	URJVAXPKRZXQMP-VIFPVBQESA-N	317.378	1.603	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)COc1ccccc1O)c1ccc[nH]1	760354152	KVBPROSWRCAHJZ-SNVBAGLBSA-N	318.333	1.191	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)OC[C@H](CBr)C1CC1	869675293	OHFSBEIRTYVLEW-QWRGUYRKSA-N	306.200	1.865	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)N[C@@H]1CC[S@](=O)C1	762326686	QTZQULPLQSBIHS-ZFFJSCCISA-N	307.297	1.251	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@H]2CCC(=O)C2)c1	874948136	YRHLWDQZJYGOCI-VIFPVBQESA-N	309.366	1.821	50	20	DDGD	
O=C(NCc1cnn(CC(F)(F)F)c1)NNc1ncccn1	764374883	NNGXXMWSXBESGF-UHFFFAOYSA-N	315.259	1.062	50	20	DDGD	
CO[C@@]1(CNC(=O)NNc2cccc(F)c2Cl)CCOC1	875495386	KGRKJFGLBMPOPU-CYBMUJFWSA-N	317.748	1.911	50	20	DDGD	
Cc1cn2ccnc(C(=O)NNC(=O)CCc3ccccc3)c2n1	761679717	PANHSZMIOAEMMG-UHFFFAOYSA-N	323.356	1.432	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H](c1cccc(Cl)c1)N(C)C	1116126696	UKBLKOGSNBERIS-LBPRGKRZSA-N	312.801	1.683	50	20	DDGD	
Cc1cc(C)c2[nH]cc(C(=O)NNC(=O)C(C)(C)C)c(=O)c2c1	776121942	DMHYJFSWGQPAAO-UHFFFAOYSA-N	315.373	1.952	50	20	DDGD	
Cc1sc(=O)n(CC(=O)NNc2nccnc2C(C)C)c1C	772849174	RZCPCZBXUWCYCO-UHFFFAOYSA-N	321.406	1.583	50	20	DDGD	
CCOCC(=O)NN=Cc1ccc(OC)c(Cn2cccn2)c1	872350417	RMBWOWODQHQVJI-UHFFFAOYSA-N	316.361	1.427	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)[C@H]1CCCCO1	771540313	ITTZCNDAUXPUSJ-SECBINFHSA-N	300.156	1.856	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NNC(=O)c1ccccc1F	877941343	DMMBYIMOCWDUHN-XPTSAGLGSA-N	316.336	1.676	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC/C=C/C2CC2)c(OC)c1	1117863406	PLPWCBFKCRRXGU-ONEGZZNKSA-N	319.361	1.614	50	20	DDGD	
O=C(NCC(Cl)Cl)Nc1ccc2c(c1)S(=O)(=O)CC2	878952926	IESLCYWTZPKANE-UHFFFAOYSA-N	323.201	1.942	50	20	DDGD	
CCC[C@]1(COC)CCCN1CC(=O)NNC(=O)C(C)(C)C	773958770	NJGTUBODNKPWRL-MRXNPFEDSA-N	313.442	1.461	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)c1c[nH]c2cc(F)ccc12	878806540	AZZRYUOSOBVVLU-UHFFFAOYSA-N	303.293	1.437	50	20	DDGD	
COC(=O)[C@H](COC(C)C)N(C)C[C@H](C)CBr	770657102	NWRWRIIDKQSPDH-MNOVXSKESA-N	310.232	1.916	50	20	DDGD	
N#Cc1cccc(NNC(=O)C(=O)Nc2ccc(C#N)cc2F)c1	773686448	ZECNYZIDGSSVLG-UHFFFAOYSA-N	323.287	1.651	50	20	DDGD	
O=C1CCCN1Cc1cn(/C(Cl)=C/CBr)nn1	881310224	FHHHRMCZUXLJDQ-YCRREMRBSA-N	319.590	1.833	50	20	DDGD	
CN(C)c1ccncc1C=NNC(=O)Cc1ccc(F)cc1	776186102	UCJGDWDEZSMHOP-UHFFFAOYSA-N	300.337	1.980	50	20	DDGD	
O=C(NNC(=O)[C@@H](c1ccccc1)C1CC1)C1CCOCC1	883067232	ABIFTFBMNDEUFY-HNNXBMFYSA-N	302.374	1.754	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2c(F)cc(F)cc2F)CC1	885151912	QQVXWDNPDKSUCF-UHFFFAOYSA-N	308.281	1.124	50	20	DDGD	
CC(C)(C)C[C@@H]1CCN(C(=O)NNC(=O)c2cccnn2)C1	883852656	SEDJRDPODGOAAL-NSHDSACASA-N	305.382	1.589	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)CCCS(C)(=O)=O	788188205	GCAWCVLAMOMNJL-UHFFFAOYSA-N	304.343	1.102	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cc1OC	783448664	RZAALTPVLZBTKU-GMXVVIOVSA-N	318.373	1.901	50	20	DDGD	
Cc1cn2ccc(NC(=O)NNC(=O)C3CCOCC3)cc2n1	880151383	ZHABTNCYXVJREM-UHFFFAOYSA-N	317.349	1.222	50	20	DDGD	
COC1CCC(C(=O)NNC(=O)COCc2ccccc2)CC1	780771439	QDPSPSWYQRETGR-UHFFFAOYSA-N	320.389	1.556	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)c1	787253011	IUQWZLNQXVVMET-GHMZBOCLSA-N	319.361	1.208	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1ccnc(N2CCCCC2)n1	781362986	QLRVBVKDXPZKEE-UHFFFAOYSA-N	316.340	1.758	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)Cc1cccc(F)c1	788224593	VIDKIZXGNTYMLG-UHFFFAOYSA-N	323.349	1.159	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=S)NCCc2cccs2)CO1	784145727	QEMHLACOXAHOQQ-NXEZZACHSA-N	313.448	1.211	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1ccn(-c2ccc(F)cc2)n1	780711423	PDKXKVQLWLQZAK-UHFFFAOYSA-N	319.340	1.246	50	20	DDGD	
CCN(CC)C(=O)CCCC(=O)NNc1ncncc1Cl	781828857	BWHKFAJHFPVTOF-UHFFFAOYSA-N	313.789	1.612	50	20	DDGD	
O=C(CN1CCCC1=O)NN=CC[C@@H]1CCCCC12OCCO2	788705335	UVXSEWLFEOZCOJ-ZDUSSCGKSA-N	323.393	1.034	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1	791221368	SSKCWVRHQLMKFN-VIFPVBQESA-N	316.283	1.244	50	20	DDGD	
Cc1cc(OCC(=O)NNC(=O)C2CCCC2)ccc1[N+](=O)[O-]	797432491	FRLPHPXTBAEDQO-UHFFFAOYSA-N	321.333	1.620	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@@H](O)Cc2ccccc2)o1	793272554	AOSNAQFNJYSESV-ZDUSSCGKSA-N	314.345	1.716	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(N2CCOCC2)ccc1C	797692004	IFEQBBUCECIERR-UHFFFAOYSA-N	306.366	1.394	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cccc(O)c2O)n1	790894015	BWCVDDDNDDFPHE-UHFFFAOYSA-N	317.349	1.491	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	790597178	VFSVYCIIJJWWFR-UHFFFAOYSA-N	320.374	1.942	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	798126674	AETDBNYWRACXEI-SMDDNHRTSA-N	322.409	1.966	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1ccc(Cl)c(Cl)c1O	1323495625	HWBGNQOTRXUMFR-UHFFFAOYSA-N	305.117	1.712	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)CCO)noc1-c1ccccc1F	1321403593	LCRMEEYHAWMPKX-UHFFFAOYSA-N	322.296	1.324	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cc(CC)n(C)n2)cc1	1325133442	MGKNMEBKAOIPJG-UHFFFAOYSA-N	300.362	1.620	50	20	DDGD	
CC(C)CN(CC(=O)NN(C)[C@@H](C)CO)C(=O)OC(C)(C)C	1329806023	GVWGLUPXUOTGLP-LBPRGKRZSA-N	317.430	1.223	50	20	DDGD	
CCOc1ccc(C(=O)NN=Cc2cc(C)ncn2)cc1OC	1324884264	UGTYBJAENNIIDM-UHFFFAOYSA-N	314.345	1.956	50	20	DDGD	
Cc1nnc(CNC(=O)NNc2ccc(Cl)cc2F)n1C	1332763848	LBYISTLAKWUZGQ-UHFFFAOYSA-N	312.736	1.742	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc[nH]2)c(C)n1CC1CC1	1338557898	OPSXNXGMXBVNKL-UHFFFAOYSA-N	300.362	1.918	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc2c(nc1O)CCC(C)(C)C2	1336010062	ADTSJQCRBNAQEZ-SNVBAGLBSA-N	307.394	1.260	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC1CC2(CC(N)C2)C1	1336291754	ZFLAJXKMVDBWJT-UHFFFAOYSA-N	302.378	1.209	50	20	DDGD	
Cc1nc(N)sc1C(=O)NC[C@]1(C)C[C@H]1Br	1334668092	HGLMYBBWODEDOY-LDWIPMOCSA-N	304.213	1.937	50	20	DDGD	
CN(C)c1nc(Cl)c(C=NNC(=O)C2CCOCC2)s1	1333216681	ZCOBWGDZJYYBNP-UHFFFAOYSA-N	316.814	1.739	50	20	DDGD	
CCO[C@H](C(=O)NNc1nncc(N)c1Cl)c1ccccc1	1340556631	WZDVKGDBJNVAFM-LBPRGKRZSA-N	321.768	1.933	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(N2C(=O)CCC2=O)cc1	1348316036	BQYVTOXHAUQDMG-ZHACJKMWSA-N	313.313	1.722	50	20	DDGD	
Nc1cnnc(NNC(=O)N[C@@H](C2CCC2)C2CC2)c1Cl	1344485150	YGPRQSVEGIMZNG-NSHDSACASA-N	310.789	1.917	50	20	DDGD	
CC[C@H](NC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br)C1CC1	1351191892	RTWUSXYSIUXDCW-KWBADKCTSA-N	317.227	1.581	50	20	DDGD	
COC(=O)c1ncoc1CNC(=O)C1CCC(Cl)CC1	1528737596	CLXDRAWVRDLQPB-UHFFFAOYSA-N	300.742	1.875	50	20	DDGD	
C[C@@]1(CNC(=O)NC[C@H]2C[C@H]2C(=O)O)C[C@@H]1Br	1604577232	HDKPMJWQPDOFSQ-LEQIOUOKSA-N	305.172	1.180	50	20	DDGD	
O=C(O)CC1(CC(=O)NNC(=O)c2ccccc2O)CCCC1	1608677392	RBENIGZMSFKGSD-UHFFFAOYSA-N	320.345	1.578	50	20	DDGD	
C=CCCOCCNC(=O)NNc1ccc(F)c(C(=O)O)c1	1609345763	AHDLBMLZWLDMFT-UHFFFAOYSA-N	311.313	1.743	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cnc3n2CCCC3)nc1	1608904807	KESQQGBHQRUTDE-UHFFFAOYSA-N	301.306	1.070	50	20	DDGD	
O=C(Cc1ccc(O)c(Cl)c1)NNc1ncccc1C(=O)O	1605708986	BECSFXLOBFCLSQ-UHFFFAOYSA-N	321.720	1.825	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cscc2-c2nn[nH]n2)cc1	1606377251	HRYNLAJECCGGJM-UHFFFAOYSA-N	311.330	1.557	50	20	DDGD	
O=C(NN=Cc1ccc(C(F)F)cc1)[C@H]1CN2CCC[C@@H]2CO1	1549321605	TYDKIWPBHNAFLS-ZIAGYGMSSA-N	323.343	1.938	50	20	DDGD	
CCNc1ccccc1C=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549904552	JZEBPDJLTVGCEW-GDBMZVCRSA-N	316.405	1.432	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](O)CCl)CC1	1826586164	CIOIYJSSGYIDJH-ZIAGYGMSSA-N	316.829	1.226	50	20	DDGD	
CC[C@H]1NCC[C@@H]1C(=O)NNc1ccc(C(=O)OC)cc1F	1577308024	JTTWBCZSDJRKGK-CMPLNLGQSA-N	309.341	1.444	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CC[C@H](N)C(F)(F)F)cc1O	1574148923	AYAWRMDLMAQYAS-JTQLQIEISA-N	319.283	1.131	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H](C(C)C)[C@H](C)N	1579310593	SZONMWZVQIRYNG-GWCFXTLKSA-N	324.450	1.632	50	20	DDGD	
CO[C@@H]1CN[C@](C)(C(=O)NNc2ncccc2C(F)(F)F)C1	1578947383	CMKVBBGRKBBVLU-UFBFGSQYSA-N	318.299	1.311	50	20	DDGD	
CC(C)[C@H](C(=O)O)C(=O)NNC(=O)c1cc2c(s1)CCC2	1588808556	RUWXOCGPYRZORG-NSHDSACASA-N	310.375	1.355	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1cccc(C(=O)O)c1C)[C@@H]1CCCO1	1588374120	OVRUECRIEHYNTL-OCCSQVGLSA-N	317.345	1.500	50	20	DDGD	
CC1(C)C[C@]1(C(=O)O)C(=O)NNC(=O)c1ccccc1Cl	1589220228	YUEHYEHISVENFT-CQSZACIVSA-N	310.737	1.602	50	20	DDGD	
C/C=C(/C)C(=O)N1CCCC12CN(C(=O)[C@H](Cl)COC)C2	1845970398	ZPAMYMRNURZAJW-CSXHZRMWSA-N	314.813	1.410	50	20	DDGD	
NCCCCCC(=O)NNC(=O)c1cc(F)c(F)c(O)c1F	1580292853	VVOGFAZEMFMFDY-UHFFFAOYSA-N	319.283	1.090	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@](C)(C#N)CC(=O)O)c(F)c1	1593882860	CRGDVUFWDHCEKL-CQSZACIVSA-N	323.280	1.060	50	20	DDGD	
C=CC[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2	1845977298	MHBHOHHLXZUONG-NWDGAFQWSA-N	314.813	1.002	50	20	DDGD	
O=C(O)CSCC(=O)NNc1ccnc(Br)c1	1595126946	WUNWAFPVVRYZFP-UHFFFAOYSA-N	320.168	1.105	50	20	DDGD	
CO[C@@H]1CCC[C@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)C1	1591354205	ODQJJBLPNDIGMW-WCQYABFASA-N	316.365	1.515	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1ccc(C(=O)O)nc1	1594420023	NWGZYEMPUMMSLK-UHFFFAOYSA-N	314.301	1.555	50	20	DDGD	
CC(=NNC(=O)c1nccs1)c1cccc(OCC(=O)O)c1	1776109233	AICJVAPDPCHWCI-UHFFFAOYSA-N	319.342	1.761	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NN=Cc1csc(C(=O)O)c1	1776098686	UOLNJBWYLFATEL-JTQLQIEISA-N	309.391	1.769	50	20	DDGD	
N#Cc1ccc(C(=O)O)c(C=NNC(=O)Cc2ccccc2)c1	1776018791	AMMSYLUDOBKZSG-UHFFFAOYSA-N	307.309	1.949	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccc(F)cc1	5558130	IFANQIPCYLPCCR-CQSZACIVSA-N	316.288	1.427	50	20	DDGD	
Cc1cc(CC(=O)NNC(=S)Nc2ccc(C)c(F)c2)[nH]n1	17514324	AEVNEDAIKYXSKI-UHFFFAOYSA-N	321.381	1.726	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H]2CCCCO2)c1C	161372871	UZFAQKFGVAMNEL-UKRRQHHQSA-N	320.389	1.787	50	20	DDGD	
CS[C@@H](C)CNC(=O)NNC(=O)c1cccc(N(C)C)c1	163691339	WZJSSFXJXTVQOF-JTQLQIEISA-N	310.423	1.448	50	20	DDGD	
C[C@H]1CCC[C@H](C)N1CC(=O)NNC(=O)c1cccc(C#N)c1	165751596	PKWFAHGKIDKTIH-STQMWFEESA-N	314.389	1.582	50	20	DDGD	
COC(=O)C1(NS(=O)(=O)CCCCCl)CCCCC1	153372816	PZWJTBIUVDVBTN-UHFFFAOYSA-N	311.831	1.801	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2ccc(-c3ccccc3)nn2)c[nH]1	155306260	IGMLVAFNHAOERP-UHFFFAOYSA-N	321.340	1.897	50	20	DDGD	
C[C@@](O)(CNS(=O)(=O)CCCCCl)c1ccccc1	154343761	DQYBBGQSPIIEIW-CYBMUJFWSA-N	305.827	1.833	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1ccc2c(c1)OCCCO2	159371750	HXGCTVPEZNFDEI-QBFSEMIESA-N	302.330	1.908	50	20	DDGD	
CC(C)NC(=O)CNS(=O)(=O)c1ccc(CCCl)cc1	36900395	IBQWWNPPQULGET-UHFFFAOYSA-N	318.826	1.271	50	20	DDGD	
Cn1cnc(CNS(=O)(=O)c2ccc(CCl)cc2)n1	311387729	PSSUIBPBYZZAAI-UHFFFAOYSA-N	300.771	1.032	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)c1cc(Cl)ccc1Cl	6376338	BVDVCNPSYSIGCK-UHFFFAOYSA-N	318.160	1.279	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)NC2CCCCC2)c1O	54540271	BEIKZRLPRUIRIG-UHFFFAOYSA-N	307.350	1.678	50	20	DDGD	
O=C(NNC(=O)c1cccc2ncccc12)c1ncccc1O	106921731	ROBQLEBYBCHILO-UHFFFAOYSA-N	308.297	1.410	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CC[C@@H]1CCCO1	55355334	MVVMTMIUQRXPAN-ZDUSSCGKSA-N	306.362	1.344	50	20	DDGD	
Cc1ccc(NNC(=O)NCCCN(C)c2ccccc2)nn1	106257038	LJMZQQVZZBEAJG-UHFFFAOYSA-N	314.393	1.938	50	20	DDGD	
O=C(NNC(=O)C1[C@H]2CCC[C@@H]12)c1cc(-c2ccccc2)n[nH]1	178089085	OCSZXVRQKCXQLT-ODOQXGPZSA-N	310.357	1.884	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)CC(C)(C)C)N1CCC[C@@H](C)C1	103305314	BSHLNZCRXIJLTM-OLZOCXBDSA-N	312.458	1.873	50	20	DDGD	
Cc1noc(C)c1[C@H](C)C(=O)NNC(=O)c1cccc(C#N)c1	103401327	VHKVMIDQLOVLND-VIFPVBQESA-N	312.329	1.728	50	20	DDGD	
O=C(NCc1cc(-c2ccccc2)on1)NNc1cccnn1	172460697	XVJQOTQZJLFIKF-UHFFFAOYSA-N	310.317	1.958	50	20	DDGD	
O=C(NNC(=O)[C@H]1SCCc2sccc21)c1ccc[nH]1	173119551	FXVZRWQYAZBKNJ-NSHDSACASA-N	307.400	1.868	50	20	DDGD	
CNc1nc(C(=O)NNc2nc(-c3ccncc3)no2)cs1	119407563	GQUCGSPGWFODDS-UHFFFAOYSA-N	317.334	1.387	50	20	DDGD	
CC(C)c1noc(CCNC(=O)NNc2cccc(C#N)c2)n1	69457497	XCMCHUMBVOTNAW-UHFFFAOYSA-N	314.349	1.933	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(C2CC2)nc2c1c(C)nn2C	24490745	TVZVJIAENNWVIU-UHFFFAOYSA-N	317.349	1.545	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCC[S@](=O)C(C)(C)C)n1	116966312	LCJRQOMWFGPSBU-OAQYLSRUSA-N	313.427	1.267	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCN(C)c2ccccc21	111303120	SKWNVMNISLDILQ-ZDUSSCGKSA-N	318.421	1.525	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc2ccccc2oc1=O	65197851	CDGHHYARLVGTPP-UHFFFAOYSA-N	301.302	1.147	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)[C@H]1OCCc2ccccc21	123854572	OJHSKYWABUAUAK-ZDUSSCGKSA-N	304.737	1.887	50	20	DDGD	
CN(CCCCc1ccccc1)CC(=O)NNC(=O)C1CC1	112977195	UYFAABMBDUUDHK-UHFFFAOYSA-N	303.406	1.499	50	20	DDGD	
Cc1ccnc(NNC(=O)CCc2c(C)nc(C)[nH]c2=O)c1	176732589	WMOGEQGZSCVDKF-UHFFFAOYSA-N	301.350	1.166	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)/C=C/c2cnc(C)s2)nc1	179788935	JURHULYQCIVCOT-GQCTYLIASA-N	318.358	1.790	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cc(=O)c2ccccc2o1	123099437	NKPOGSKCPWGWHI-UHFFFAOYSA-N	300.249	1.479	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C[C@@H]1COC(=O)C1)c1ccccc1	120471722	FLCOXKRKFRHXAH-WCQYABFASA-N	304.346	1.281	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@@H]1CCN(C2CCCCC2)C1	123169189	NPNQUHZQUDSPOT-LLVKDONJSA-N	307.373	1.713	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc([S@@](C)=O)cc2)n1	180694954	BBNNPNAXOHVRPC-OAQYLSRUSA-N	305.359	1.585	50	20	DDGD	
CC(C)(C)c1ncc(NC(=O)C(=O)NNc2ccccc2)cn1	185216680	SKEGEEYHMCWDDR-UHFFFAOYSA-N	313.361	1.856	50	20	DDGD	
CC(C)c1cccc(NC(=O)C(=O)NNC(=O)c2ccc[nH]2)c1	123150283	NBORYHFAVXKGCT-UHFFFAOYSA-N	314.345	1.538	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CSc2ccc(Cl)cc2)[nH]n1	71964174	BDTHUCBRYZQFOU-UHFFFAOYSA-N	324.793	1.925	50	20	DDGD	
CO[C@@H](C)CCC(=O)NNC(=O)c1cc(-c2ccccc2)on1	183004532	REMLQGPUBMJXED-NSHDSACASA-N	317.345	1.918	50	20	DDGD	
COCc1ccc(C(=O)NNC(=O)CNc2ccccc2)cc1	78400107	JIOGWTWPVYDQEV-UHFFFAOYSA-N	313.357	1.706	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1cc(Cl)ccn1	182992484	BUMSYBAXDXNZGP-UHFFFAOYSA-N	300.746	1.704	50	20	DDGD	
Cc1cccc(OCCC(=O)NNc2cc(Cl)nc(N)n2)c1	121682350	NQIUABUIQKFNOA-UHFFFAOYSA-N	321.768	1.933	50	20	DDGD	
CC(=O)NNC(=O)c1cccc(NC(=O)C2CCCCC2)c1	31591375	AKNSYLYWLNSTRL-UHFFFAOYSA-N	303.362	1.986	50	20	DDGD	
O=C(NNc1cccnn1)[C@@H]1COc2ccc(Cl)cc2C1	77033200	LKKODHLFXZVDKJ-JTQLQIEISA-N	304.737	1.824	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)C(C)(C)C	73554055	WSZZZXQYFSSUAB-UHFFFAOYSA-N	302.378	1.792	50	20	DDGD	
CNc1nnc(CC(=O)NNc2cc(F)cc(OC)c2)s1	184024243	ZOYUWKOTCJQFIZ-UHFFFAOYSA-N	311.342	1.413	50	20	DDGD	
CC(=O)NNC(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1	47683897	MBDQVIFCEFSTIN-AWEZNQCLSA-N	303.362	1.015	50	20	DDGD	
CC(C)CCO[C@H](C)C(=O)NNc1nc2ccccc2c(=O)[nH]1	137130631	ULGXGPAFDOXJNS-LLVKDONJSA-N	318.377	1.817	50	20	DDGD	
O=C(CCOC[C@@H]1CCCO1)NNC(=O)CCc1ccccc1	132484488	RJFNSUWIARGKOS-HNNXBMFYSA-N	320.389	1.352	50	20	DDGD	
CCS(=O)(=O)C[C@@H](C)N(C)CCI	190890872	MXXDYLKBCAPCQK-MRVPVSSYSA-N	319.208	1.176	50	20	DDGD	
Cc1ccc(C)n1-c1nc(CC(=O)NNC(=O)N(C)C)cs1	194917193	QPNWJTOFFAVOHR-UHFFFAOYSA-N	321.406	1.396	50	20	DDGD	
O=C(NNc1cnccn1)[C@H]1CC(c2cccc(F)c2)=NO1	133338918	NHISMYNYDSILDH-GFCCVEGCSA-N	301.281	1.252	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNC(=S)NCC1CCC1	88278809	OQTCXYMJTBZMQU-UHFFFAOYSA-N	324.450	1.637	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1ccc(-n2ccnc2)nc1	43680537	XLCGAWAHPIFPRG-UHFFFAOYSA-N	323.312	1.048	50	20	DDGD	
CCC[C@H](CC)NC(=O)NNC(=O)COc1ccc(C#N)cc1	195397797	XYOKANQOYJPXCS-ZDUSSCGKSA-N	318.377	1.846	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cccc(Cl)c2)n(C)n1	194264573	JJUICEOBGKBNCG-UHFFFAOYSA-N	307.741	1.848	50	20	DDGD	
COc1cccc(OC)c1C(=O)NNc1nc2ccccn2n1	191929981	QBGKJGPHZMQNNU-UHFFFAOYSA-N	313.317	1.503	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)CN(CC)CC)cc1OC	143712211	GTQXDQICIIQDDH-UHFFFAOYSA-N	323.393	1.197	50	20	DDGD	
O=C(NNC(=O)c1cccnc1SC(F)F)c1ccc[nH]1	96950723	ZVYYWEZOWOZKKW-UHFFFAOYSA-N	312.301	1.799	50	20	DDGD	
CCOCCCCNC(=O)NNC(=O)c1ccccc1OC	264581628	PXOQUXMODJXZLJ-UHFFFAOYSA-N	309.366	1.456	50	20	DDGD	
Cc1ccc(NNC(=O)NCC(=O)N(C)C2CCCCC2)nn1	267134060	IIOZEMQQKXPJNB-UHFFFAOYSA-N	320.397	1.202	50	20	DDGD	
COCc1cc(C(=O)NNC(=O)C(C)(C)c2ccccc2)no1	266379763	SZEOOFKRIQPTSR-UHFFFAOYSA-N	317.345	1.560	50	20	DDGD	
COc1ccc(OC)c(C(=O)NNC(=S)N[C@@H](C)C2CC2)c1	267651779	WHKAXZABSCDXPK-VIFPVBQESA-N	323.418	1.611	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCCC(=O)Nc1ccccc1	265100732	UAAAZULPQNGYSA-UHFFFAOYSA-N	322.365	1.754	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)CO[C@H](C)CC)cc1OC	269722689	VEQQYMLZYWRXJG-LLVKDONJSA-N	324.377	1.670	50	20	DDGD	
CCN(CCNC(=O)NNC(=O)c1ccccc1C)C1CC1	263668262	HXIJBMDZYGOBJF-UHFFFAOYSA-N	304.394	1.423	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1O	268309789	GCSGOAKGUDRLJR-SSDOTTSWSA-N	314.725	1.006	50	20	DDGD	
O=S(=O)(CBr)NCc1ccc2c(n1)CCCC2	277751245	QYYAHWKLKZCJFQ-UHFFFAOYSA-N	319.224	1.732	50	20	DDGD	
CSC1(CNC(=O)NNc2ncccc2C)CCOCC1	278659890	IZOQKFWFRZAYIE-UHFFFAOYSA-N	310.423	1.928	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	273371029	CCMUIHQOPSPPKJ-VIFPVBQESA-N	313.379	1.289	50	20	DDGD	
COC(=O)N(C)NC(=O)C1CCN(c2ccc(C)cn2)CC1	367497293	KVMWSOFEBZYOQM-UHFFFAOYSA-N	306.366	1.336	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)CCCc2ccccc2)CCO1	271843227	BROPWZLAUGTQFP-HIFRSBDPSA-N	304.390	1.972	50	20	DDGD	
COC(=O)[C@@H]1CC12CCN(C(=O)NCCSSC)CC2	367584268	ADHKUQUKTFKYPJ-JTQLQIEISA-N	318.464	1.982	50	20	DDGD	
CCCc1csc(NC(=O)C(=O)NNC(=O)CC(C)C)n1	279429491	QBTHBTONLRYEFY-UHFFFAOYSA-N	312.395	1.228	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CC[C@H](C2CC2)C1	362684882	CAPATWQCQJNTKV-LBPRGKRZSA-N	303.362	1.782	50	20	DDGD	
CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)NNc1ccncc1	278476083	UNONAAJZKBAESM-LBPRGKRZSA-N	324.381	1.455	50	20	DDGD	
C[C@H](O)C[C@H]1CCCCN1CC(=O)NNC(=O)c1ccccc1	279705921	HMBRTZZRIXTXQK-DZGCQCFKSA-N	319.405	1.073	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1c(C)cccc1F	274191060	ZOEQPQVAVQTCIF-SNVBAGLBSA-N	313.329	1.338	50	20	DDGD	
O=C(CC[C@H]1CCCO1)NNc1ccc(-n2ccnc2)nn1	286454052	AIGSWKIYDRTLRU-LLVKDONJSA-N	302.338	1.065	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(-c2cccc(Cl)c2)on1	373237447	REWSBDDDCQXZOO-UHFFFAOYSA-N	310.697	2.388	50	20	DDGD	
Cc1noc(CCCC(=O)NNC(=O)Nc2ccccc2C)n1	281406054	YYWYSEHTIPFPGK-UHFFFAOYSA-N	317.349	1.862	50	20	DDGD	
Cn1cc2c(n1)CCC[C@@H]2C(=O)NNc1ccc(Cl)nn1	370251760	LRDHOZMIUYLFAB-QMMMGPOBSA-N	306.757	1.427	50	20	DDGD	
Cc1cc(C)cc([C@@H](O)CNS(=O)(=O)CBr)c1	282209841	AHWPMWCLGCTNON-NSHDSACASA-N	322.224	1.609	50	20	DDGD	
COC(=O)CC[C@@H](N)C(=O)NNc1c(Cl)cccc1Cl	288510132	BWRWOUXZZFSABZ-SECBINFHSA-N	320.176	1.717	50	20	DDGD	
COc1ncc(CNC(=O)NNC(=O)C(C)(C)C)cc1Cl	296511944	CKNGJAPOWAXOBH-UHFFFAOYSA-N	314.773	1.620	50	20	DDGD	
Cn1nnc2c1C[C@H](C(=O)NNc1c(F)cccc1Cl)CC2	291280882	MCXZUKJVSNHLAD-MRVPVSSYSA-N	323.759	1.856	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cccc(C(N)=O)n1	805383955	VZOMTNOXEBXLQE-UHFFFAOYSA-N	315.289	1.154	50	20	DDGD	
CN(C)c1cnc(C(=O)NNc2nccnc2C2CCC2)cn1	805469011	LIYMXEAIPCJMLM-UHFFFAOYSA-N	313.365	1.357	50	20	DDGD	
Cc1nc(C(C)C)oc1C(=O)NNC(=O)Cc1cccnc1	292142371	IGMXIIQOLNFMEV-UHFFFAOYSA-N	302.334	1.505	50	20	DDGD	
COc1cccc(CO[C@@H](C)C(=O)NNC(=O)CC2CC2)c1	294086101	IGCWIBMTDLTPBD-NSHDSACASA-N	306.362	1.548	50	20	DDGD	
COCCCn1nccc1C=NNC(=O)c1ccc(O)c(O)c1	802713825	VWQOIKIFUZRENX-UHFFFAOYSA-N	318.333	1.095	50	20	DDGD	
Cn1cnc2c(C(=O)NNc3nc4ccccc4[nH]3)ccnc21	807173599	LVQOWQQWSOUOGD-UHFFFAOYSA-N	307.317	1.602	50	20	DDGD	
COc1ccc(CC(=O)NNc2cccc(F)n2)cc1OC	804768711	RKPIJWPIBBDKPA-UHFFFAOYSA-N	305.309	1.924	50	20	DDGD	
Cc1nc2cccc(C(=O)NNC(=O)c3cccc(C#N)c3)c2[nH]1	801876007	AXFNNZOZDDWKPT-UHFFFAOYSA-N	319.324	1.818	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@H]2CCCOC2)cc1	802122010	YDZZADOCFRFFIM-NSHDSACASA-N	306.366	1.332	50	20	DDGD	
O=C(NNC(=O)c1ccnnc1)Nc1ccc(OC(F)F)cc1	802047051	PCLFUMLFVJPBSU-UHFFFAOYSA-N	323.259	1.545	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)C23CCCN2CCC3)c1	294041241	XJFXLKDYQVPJLV-UHFFFAOYSA-N	302.378	1.717	50	20	DDGD	
CCOc1ccccc1C(=O)NCC(=O)NCC(Cl)Cl	294693933	NQHCZXJNUWRDHO-UHFFFAOYSA-N	319.188	1.735	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2cc(Cl)nc(Cl)c2)CCC1	819742517	AOUVLUAREWGKNA-UHFFFAOYSA-N	317.176	1.748	50	20	DDGD	
O=C(NNC(=O)C1CC1)C(=O)Nc1ccc(-c2ccccn2)cc1	810385097	LRLSMNDOJLLONW-UHFFFAOYSA-N	324.340	1.245	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)NCC(F)(F)F)[C@]12CCCO2	819806687	XOUXRMLRJODXMH-MWLCHTKSSA-N	309.288	1.562	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)CCNS(C)(=O)=O	812768924	NAYYCWGSMCNVTI-UHFFFAOYSA-N	313.423	1.501	50	20	DDGD	
CC(=O)N[C@@H](CC(=O)NNC(=O)CC1CC1)c1ccc(C)cc1	819114591	MTTVVVWDQIFMBA-HNNXBMFYSA-N	317.389	1.510	50	20	DDGD	
Cn1cc(C(=O)NN=C2CC(C)(C)Oc3ccc(O)cc32)cn1	814852009	FIPSKDLIWLWOFR-UHFFFAOYSA-N	314.345	1.821	50	20	DDGD	
CC(C)C(=O)N1CCCC[C@H]1C(=O)NNC(=O)CC(C)(C)C	728610333	XMLISIWAFRYTDC-LBPRGKRZSA-N	311.426	1.607	50	20	DDGD	
O=C(NN=Cc1ccc2[nH]ccc2c1)[C@H]1CCS(=O)(=O)C1	811637156	USAPKKUJAZWPPS-LBPRGKRZSA-N	305.359	1.053	50	20	DDGD	
CCn1ccc(NC(=O)NNC(=O)Cc2ccccc2OC)n1	824943627	PMDKEVQTWBCIDI-UHFFFAOYSA-N	317.349	1.307	50	20	DDGD	
C[C@@H]1CCCCN1[C@H](C)CNC(=O)/C(C#N)=C/c1cnn(C)c1	491013758	VDOCWUQWVQUQAI-YZGPZLFDSA-N	315.421	1.706	50	20	DDGD	
CCOC(=O)N1CCC[C@H](C(=O)NNC(=O)OC(C)(C)C)C1	490559996	NNNAQVQTGCMRNL-JTQLQIEISA-N	315.370	1.411	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H](CN1CCCC1)c1ccccc1	823798894	IDHAMYJTAGLPRM-AWEZNQCLSA-N	304.394	1.216	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Cn2cc(C3CC3)cn2)c1	826089881	QSEVWNCSKSHRIM-UHFFFAOYSA-N	309.329	1.093	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCCN2C2CC2)cn1	491136396	VLVWKWIUIUAHDG-SBNBMVPLSA-N	313.405	1.460	50	20	DDGD	
C[C@]1(C(=O)NNc2cc(Cl)cc(Cl)c2)CCNC1=O	822395374	BQPRQYIFFASATI-LBPRGKRZSA-N	302.161	1.963	50	20	DDGD	
CC(Cl)(Cl)C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1341855946	INRMJSTVMCFMQG-UHFFFAOYSA-N	305.165	1.243	50	20	DDGD	
CCCCCNC(=O)C1CCN(S(=O)(=O)CCl)CC1	829979402	CLMNGEMTILTILZ-UHFFFAOYSA-N	310.847	1.531	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCCOC[C@H]1CCCO1	491164258	ZVQXAVVEEROOSG-HFQYIWAZSA-N	316.357	1.611	50	20	DDGD	
O=C(N[C@H]1CCCCC12CCCC2)c1ccc(B(O)O)cc1	584992067	KVCHJAGJFSGTQG-HNNXBMFYSA-N	301.195	1.599	50	20	DDGD	
N#C/C(=C/c1cn(CC(=O)O)nn1)C(=O)Nc1ccccc1F	490783773	URXVIDHXSXBSTF-UITAMQMPSA-N	315.264	1.047	50	20	DDGD	
CCc1ccc(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)s1	825659983	DYWRQDGSWIBUJL-CABZTGNLSA-N	311.407	1.566	50	20	DDGD	
CSc1nc(C)c(CCC(=O)NN(C)[C@@H](C)CO)c(C)n1	823982907	GUUGMJXSQDLJOP-VIFPVBQESA-N	312.439	1.092	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@@]1(C)CC1(Cl)Cl	826907406	PAHSCWQHQYRRRC-DKCNOQQISA-N	324.208	1.326	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NN(C)[C@H](C)CO	823959678	NRHLUGDWQZAQNJ-RKDXNWHRSA-N	304.749	1.590	50	20	DDGD	
CC[C@](C)(NCC(=O)NNC(=O)C(C)C)c1nc(C)cs1	828353035	VONADHYAEDZUQI-AWEZNQCLSA-N	312.439	1.470	50	20	DDGD	
CN(C)c1ccc(CNC(=O)[C@]2(C)C[C@H]2Br)cn1	906074414	VNSSVLBTRUFCLM-ZWNOBZJWSA-N	312.211	1.937	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H](C)Cc1cnc2ccccc2n1	495788533	SGBOMERQPKYXGT-JTQLQIEISA-N	302.334	1.586	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@@H]1CCC[C@H]1c1ccccc1	822854658	RDILUIPWLHFNHY-LSDHHAIUSA-N	317.389	1.643	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NNC(=O)c1cc(C)nc2ccccc12	490873760	FHQHPWZEKVAKJV-ZRDIBKRKSA-N	324.340	1.748	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccc(C(F)(F)F)[nH]1	825504012	LHWQPPGXFHFFMT-UHFFFAOYSA-N	303.162	1.747	50	20	DDGD	
O=C(NNC(=S)Nc1ccc2c(c1)OCO2)c1ccc[nH]1	735235045	IIODBNGMXYFTCN-UHFFFAOYSA-N	304.331	1.375	50	20	DDGD	
CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)NN(C)C1CC1	496249050	TZXTWLFBTBZESU-LLVKDONJSA-N	301.387	1.042	50	20	DDGD	
CC(C)OC(=O)CCCNC(=O)/C(C#N)=C/c1cnn(C)c1	490969423	DRKBGIIHPTXGGC-NTUHNPAUSA-N	304.350	1.175	50	20	DDGD	
C[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)[C@@H]1C[C@H]2CC[C@H]1C2	584926868	FBEJGXVENQBHCS-ZPFDUUQYSA-N	305.158	1.060	50	20	DDGD	
O=C(NNc1cccnn1)c1cccc(Nc2ncccn2)c1	736697263	BXBPFKKAIWGPTJ-UHFFFAOYSA-N	307.317	1.767	50	20	DDGD	
CC(C)N1CCN(CCC(=O)N(C)CC(Cl)Cl)CC1	908222511	FIQGBQAAJLREDI-UHFFFAOYSA-N	310.269	1.665	50	20	DDGD	
CCc1noc(CCCC(=O)NNc2nccnc2Cl)n1	734261022	JZLYWRQEKYMWDM-UHFFFAOYSA-N	310.745	1.541	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=C2C[C@H](C)O[C@@H]2C)n1	834920666	MUHHJYUNHRLIAF-WDEREUQCSA-N	308.407	1.855	50	20	DDGD	
CCc1cccc2c1NC(=O)C2=NNC(=O)c1ccc(N)cc1	733078189	VFBKNVUNLXYYSM-UHFFFAOYSA-N	308.341	1.917	50	20	DDGD	
C=C(CI)n1cc(CNC(C)C)nn1	900641130	LCJLSTRMVRHMNZ-UHFFFAOYSA-N	306.151	1.682	50	20	DDGD	
CC(C)(C)/C=C\C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	735594635	VEHPDVHNMBHOSC-HJWRWDBZSA-N	314.349	1.230	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc2[nH]ccc2n1	907194533	CNKGLQZTUZFWJX-UHFFFAOYSA-N	309.420	1.035	50	20	DDGD	
C[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H]2Br)CC[S@@]1=O	907742604	NEBFBEMGJSBUEH-YSFUZLLDSA-N	308.241	1.529	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NCC(C)(C)C1CCC1	838668244	LDZTUFBUFGDFFR-LLVKDONJSA-N	315.414	1.195	50	20	DDGD	
CC(C)[C@@H]1OCCC[C@@H]1c1nc(-c2ccc(B(O)O)cc2)no1	585052238	VTJBTOGMEJGXOT-KBPBESRZSA-N	316.166	1.335	50	20	DDGD	
Cc1ccccc1C1=NO[C@H](C(=O)NNC(=O)CC2CC2)C1	908448347	KRKXSILCMZPDKI-AWEZNQCLSA-N	301.346	1.436	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CC[C@H](c3ccccc3F)C2)o1	585039952	XPKANVGXJRJNRW-RYUDHWBXSA-N	303.142	1.524	50	20	DDGD	
COCCN(C)NC(=O)c1cc(-c2ccc3c(c2)CCO3)no1	837625654	CSQSUZQJJBFJPN-UHFFFAOYSA-N	317.345	1.500	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@@H]1C[C@]12CCOc1ccccc12	584913190	QPWYMNTTXYEAGP-YJBOKZPZSA-N	323.157	1.045	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C[C@H](C)C(=O)c1ccccc1	732767296	ZSCNQVRRFZCAIU-JTQLQIEISA-N	314.345	1.388	50	20	DDGD	
C[C@@H]1C[C@H](NCc2ccccc2B(O)O)CN1Cc1ccccc1	585028463	KVODVSQYBFSWFL-QAPCUYQASA-N	324.233	1.119	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CC[C@@H](c3ccccc3F)C2)cc1	585039104	NRCZZERQBUAYNU-GDBMZVCRSA-N	313.181	1.931	50	20	DDGD	
O=C(c1ccc(NCc2cccc(B(O)O)c2)cc1)N1CCCC1	585038772	GLCCJAQMMMNLFE-UHFFFAOYSA-N	324.189	1.215	50	20	DDGD	
CCC[C@@H](CC1CCCC1)C(=O)NNC(=O)C(=O)NC(C)C	733251648	JQCTVFHXURVDRW-ZDUSSCGKSA-N	311.426	1.655	50	20	DDGD	
COC(=O)COc1ccc(C(=O)NNc2cc(C)ncn2)cc1	734255624	GXTONHMYDITECR-UHFFFAOYSA-N	316.317	1.094	50	20	DDGD	
Cc1c(NNC(=O)[C@H]2CC(=O)N(C3CC3)C2)cccc1[N+](=O)[O-]	748673356	IKOVGPMOOUYPJO-JTQLQIEISA-N	318.333	1.357	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1cnn(-c2ccccc2)c1	746495024	WLTJMBCGUPXWBR-UHFFFAOYSA-N	315.377	1.932	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCCc1c(F)cccc1F	847855010	FKUKWJQXDDAUFC-UHFFFAOYSA-N	300.305	1.206	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)Cn2nnc3c2CCCC3)c1	847601435	SCMQOAGRGSBDGP-UHFFFAOYSA-N	303.341	1.748	50	20	DDGD	
O=C(NNc1cc(O)nc2ncccc12)[C@@H]1CSCCS1	913992263	UNWKUAFUSBOWQN-JTQLQIEISA-N	322.415	1.627	50	20	DDGD	
O=C(NNC(=O)c1ccc(C(F)(F)F)cn1)c1ccncc1	844239218	DNCXCDAGUPUSIO-UHFFFAOYSA-N	310.235	1.570	50	20	DDGD	
COC(=O)/C=C\c1ccc(/C=C(/C#N)S(=O)(=O)NC2CC2)o1	848642193	SHPCAOACGGKWJX-DGOUITMESA-N	322.342	1.412	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN[C@H](C(=O)NC1CC1)c1ccccc1	843288741	GFXYSAFUAAUAGJ-GLQYFDAESA-N	317.389	1.052	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@H](C#N)CC)cc1OC	845087221	MEGMRWXCFTZNIK-JTQLQIEISA-N	305.334	1.405	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccccc1OCc1cscn1	746003818	ULRFNOUMGVVLHO-UHFFFAOYSA-N	320.374	1.638	50	20	DDGD	
O=C(NN=Cc1cccc2c1CCC2)[C@@H]1CCS(=O)(=O)C1	844572146	CGVKXGKDPUGDGV-CYBMUJFWSA-N	306.387	1.060	50	20	DDGD	
Cc1ncc(C=NNC(=O)c2ccc3c(c2)OCCO3)s1	917543785	ZOHPIRPQFDNZAK-UHFFFAOYSA-N	303.343	1.987	50	20	DDGD	
COc1cc(C=NNC(=O)N2CCOCC2)cc(OC)c1OC	745603151	UXBYEHAHMTTZIP-UHFFFAOYSA-N	323.349	1.088	50	20	DDGD	
Cc1c(NNC(=O)NC2CCC(N)CC2)cccc1[N+](=O)[O-]	841945081	ZVHKNYZUSNVMBS-UHFFFAOYSA-N	307.354	1.799	50	20	DDGD	
CCOC(=O)[C@H](Cc1ccccc1)NNC(=O)[C@@H]1CCO[C@H]1C	843289487	SAYCULDBSFTPAB-CFVMTHIKSA-N	320.389	1.207	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc([N+](=O)[O-])c1)c1cnn(C)c1	745840797	YXDNQSMOABWTFP-SECBINFHSA-N	304.310	1.716	50	20	DDGD	
Cn1nc(C2CC2)nc1CC(=O)NNc1ccc2ccccc2n1	843848098	CIQSJYCAQSEXAO-UHFFFAOYSA-N	322.372	1.927	50	20	DDGD	
CCSc1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)ccn1	843645995	HLCZRIWPOUBWEW-ONGXEEELSA-N	309.391	1.380	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=S)Nc1ccc([N+](=O)[O-])cc1	843276589	DJVRIQMQMQDNJN-KCJUWKMLSA-N	324.362	1.337	50	20	DDGD	
O=C(NNC(=O)N1CCO[C@@H](CF)C1)c1cc2ccccc2o1	841579032	FDJXGBPNPUIFOK-NSHDSACASA-N	321.308	1.458	50	20	DDGD	
COc1ccc(NNC(=O)C[C@@H](C)n2ccnc2)c([N+](=O)[O-])c1	845831655	JMKHMMIONZMYJG-SNVBAGLBSA-N	319.321	1.894	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@]1(C(=O)OC(C)(C)C)CC=CCC1	845084995	QMJVAKDYUGJMJJ-INIZCTEOSA-N	310.394	1.858	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ncc(Br)cn1)N(C)C	848319883	FGQGCEXICRIVIV-SECBINFHSA-N	316.203	1.268	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCC[C@]1(O)CCCOC1	846598996	YFXPOLJACSANHP-IDKBZEPQSA-N	316.357	1.347	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1c(F)c(F)cc(F)c1F	843655401	VEDOPKGGHLRKCR-RITPCOANSA-N	320.242	1.429	50	20	DDGD	
CCOC(=O)NNC(=O)c1nc(C)ccc1Br	929188461	FPCJBIZFRLNLHL-UHFFFAOYSA-N	302.128	1.543	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1C	843654737	SERKSGYTHNCGDZ-RYUDHWBXSA-N	308.382	1.178	50	20	DDGD	
O=C(C[C@H]1C(=O)Nc2ccccc21)NNC(=O)NC1CCCC1	748725616	CFYWARDTLRMAPU-GFCCVEGCSA-N	316.361	1.385	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1ccnc(F)c1	748697828	WVNSDQFYEHYCHI-UHFFFAOYSA-N	307.256	1.200	50	20	DDGD	
CC(C)(C)C(=O)N1CCC(NC(=O)NNc2ccncn2)CC1	848666970	FDAANSYNOWZKNS-UHFFFAOYSA-N	320.397	1.140	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@]1(C)CCCO1	755156608	HTVYZNUDQQRORQ-HNNXBMFYSA-N	307.350	1.208	50	20	DDGD	
CCc1ccc(C(C)=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cc1	853388544	MVFNTBSSQHUYNR-SJORKVTESA-N	315.417	1.952	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc(C#N)cc2)C1(C)C	753426083	SFVQXFSTOBZNSR-STQMWFEESA-N	316.361	1.316	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=Cc1cnc2n1CCC2	853406968	ZYSWDAKPDMIIKH-UHFFFAOYSA-N	319.409	1.222	50	20	DDGD	
CC(C)[C@@H](C=NNC(=O)c1cc[nH]n1)CNC(=O)OC(C)(C)C	853392319	LSEYCKLENJYFDG-LLVKDONJSA-N	323.397	1.922	50	20	DDGD	
CSc1ccc(NC(=O)NNC(=O)c2cnn(C)c2)nc1	758003320	MHZGCIMJWGLUGF-UHFFFAOYSA-N	306.351	1.004	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@H]1CCN(C2CCCCC2)C1	852589648	YLOKGHHQLFDYKE-ZDUSSCGKSA-N	308.426	1.524	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)Nc1cc2n(n1)CCCC2	856869728	CERJPMYJCSXTHV-UHFFFAOYSA-N	307.745	1.811	50	20	DDGD	
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)CC(F)(F)F)C1	854315524	XCLALQPJMUMFDX-QMMMGPOBSA-N	310.320	1.142	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H]1Cc2cc(F)ccc2O1)C1CC1	855101517	WQYKTIWYYGXONU-ISVAXAHUSA-N	323.393	1.423	50	20	DDGD	
O=C(NN=Cc1cccc(F)c1OC(F)F)N1CCOCC1	853296887	MZMNUIVFTYEKLH-UHFFFAOYSA-N	317.267	1.803	50	20	DDGD	
CC(C)(C)n1nnc(C=NNC(=O)Cc2ccc(Cl)cc2)n1	853278147	YDHREXUNPJHSHN-UHFFFAOYSA-N	320.784	1.774	50	20	DDGD	
COCC(C)=NNC(=O)c1sc(N2CCOCC2)nc1C	750931389	PFAHUKORRLCGRE-UHFFFAOYSA-N	312.395	1.040	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C(C)(C)c2ccccc2)on1	753486065	JEJLLEBMEPOBJW-UHFFFAOYSA-N	303.318	1.422	50	20	DDGD	
CC[C@H]1C[C@@H](CC(=O)NNC(=O)OCC(F)(F)F)CCO1	856023130	ZNCBEONZGVGIBJ-IUCAKERBSA-N	312.288	1.901	50	20	DDGD	
CON(C)C(=O)[C@H](C)NC(=O)NNc1c(F)cc(F)cc1F	923473762	UGDVVESUDMKWGY-LURJTMIESA-N	320.271	1.138	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1csc([C@H]2CCCO2)n1	755664019	FRBJIJKEVVMGLK-SNVBAGLBSA-N	310.379	1.349	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N(C)CC1=CCSC1	852086529	SWMLCJDLLMCGJY-UHFFFAOYSA-N	321.402	1.655	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2CCN(C(C)C)C2=O)cc1F	853740379	WICQIPZKELDHHC-CYBMUJFWSA-N	308.357	1.770	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CO)c(OCC(F)(F)F)c1	756202765	HPSRUXLWBASAQJ-UHFFFAOYSA-N	321.255	1.081	50	20	DDGD	
CN(Cc1cnc[nH]1)C(=O)NC[C@]1(C)C[C@H]1Br	856892803	JOLSPQHDPPWQKZ-KOLCDFICSA-N	301.188	1.725	50	20	DDGD	
C/C=C(/C)C(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1	750900316	PYZABCXQPVOROA-OQFOIZHKSA-N	310.737	1.610	50	20	DDGD	
Cc1cc(Cl)ccc1NC(=O)NNC(=O)c1cnccn1	755355306	WJHDOFXRFWHDGI-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
COC1(C(C)=NNC(=O)Cc2cc(O)nc(S)n2)CCC1	853285056	OPXSXDKZBQAPMR-UHFFFAOYSA-N	310.379	1.075	50	20	DDGD	
CCCCNC(=O)NN=C1CCS(=O)(=O)c2ccccc21	920752632	NHKKCHFIURAECZ-UHFFFAOYSA-N	309.391	1.667	50	20	DDGD	
Cc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)c2ncccn2)cc1C	854952081	FZRVIJKBFNTGIG-UONOGXRCSA-N	310.357	1.658	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)c1	759310082	CRRHIUZAMPBGOK-JTQLQIEISA-N	323.368	1.924	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1nccc2[nH]ccc12	854388182	AKGVAXYGIRVLOK-UHFFFAOYSA-N	320.349	1.113	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1	854929880	WPZLWPYKEGGZQT-ZDUSSCGKSA-N	323.418	1.325	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cc[nH]n2)cnn1C1CCCCC1	855356417	LLFMNFFBRQXORZ-UHFFFAOYSA-N	316.365	1.495	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=C1CN(C2CC2)C[C@@H]1C	755886135	LIXCUVIQSCQITC-KBPBESRZSA-N	306.454	1.695	50	20	DDGD	
C[C@@H]1CN(C(=O)NC[C@]2(C)C[C@@H]2Br)CC[C@H]1N	857105742	QYWDVKQTCVMZGV-SVDPJWKOSA-N	304.232	1.539	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2sccc2Br)N1	863153375	SNBIWUSVIWIFPX-SSDOTTSWSA-N	316.180	1.239	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@H]1CCCN1C(C)C	935845901	QLDYZYIRINDSLK-CYBMUJFWSA-N	323.368	1.928	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)C1CC(F)(F)C1	760438518	XAJVGRFFFCPHAE-UHFFFAOYSA-N	321.324	1.094	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C	861764981	HRWSOXGDDWPUFR-YRORDHRNSA-N	320.389	1.445	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)[C@@H](C)C2)c(O)c1	763945290	NGNZTENLRQWSJQ-QWRGUYRKSA-N	304.346	1.467	50	20	DDGD	
O=C(NNc1cccc(Br)c1)c1cc[n+]([O-])cc1	932483862	OCWBSSBRELSAAZ-UHFFFAOYSA-N	308.135	1.839	50	20	DDGD	
C=C[C@@H](C)NC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	763529324	GZQWRJFAXIQNCQ-SNVBAGLBSA-N	314.386	1.196	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)C(=O)N2CCCC2)[C@H](C)C1	761260931	HXWOQSRVNQWFFB-NEPJUHHUSA-N	323.393	1.080	50	20	DDGD	
O=C1NCC[C@]1(C(=O)NNc1ccc(Cl)cn1)C1CCCC1	862218699	CZFLXCFRTNDSQU-HNNXBMFYSA-N	322.796	1.875	50	20	DDGD	
Cc1ccccc1C[C@@H](C)C(=O)NNc1nccn(C)c1=O	863894272	MQSOBHQQORJNCD-GFCCVEGCSA-N	300.362	1.411	50	20	DDGD	
COCCOCC(=O)NNC(=O)[C@H](CC(C)C)c1ccccc1	869909670	FMZZAOYXMYLUDQ-OAHLLOKOSA-N	322.405	1.627	50	20	DDGD	
COc1cc(NCc2cccc(B(O)O)c2)cc(-n2cccn2)c1	864035360	JTNUEKHMRDRWOT-UHFFFAOYSA-N	323.161	1.173	50	20	DDGD	
Cc1noc([C@@H](C)NC(=O)NNc2ncnc3ccsc23)n1	765826119	MKKZDIUEQSBYMV-ZCFIWIBFSA-N	319.350	1.770	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1ccc2c(c1)OCO2	863090659	UXKALAJGSZDZBH-UHFFFAOYSA-N	312.194	1.847	50	20	DDGD	
Cc1n[nH]c(C)c1CCNS(=O)(=O)CC(C)(C)CCl	867472719	YKVHUQRUBSBYAN-UHFFFAOYSA-N	307.847	1.753	50	20	DDGD	
O=C1NCCC[C@H]1C(=O)NNc1nc2ccc(Cl)cc2s1	869297451	PQNUQGVIAOEVSM-MRVPVSSYSA-N	324.793	1.919	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12	762630550	OCMJPBQMNMRIEF-CKYFFXLPSA-N	317.480	1.743	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CC(F)(F)C(F)(F)F)cc1	865053205	KDCLHQNVPAQWRQ-UHFFFAOYSA-N	321.205	1.907	50	20	DDGD	
CCCCc1ccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1	860237600	HUZLCLIPNCDJIT-CYBMUJFWSA-N	318.377	1.461	50	20	DDGD	
C[C@H](c1ccccc1F)[C@@H](O)C(=O)NNC(=O)NC1CCCC1	865038036	HSRNJBJQXHSRAP-QMTHXVAHSA-N	323.368	1.563	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CCSC1	761805993	ZPZWGJVBXYLCRM-UWVGGRQHSA-N	312.366	1.494	50	20	DDGD	
COc1cc(Br)c(C=NNC(N)=O)c(OC)c1	760218710	PMJPPPBHPTWAHC-UHFFFAOYSA-N	302.128	1.469	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	770575711	UFXQWNAPAZZCRC-NEPJUHHUSA-N	322.361	1.037	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CC3CCC2CC3)cc1	1116455712	HDRVEVLPZSEOHD-UHFFFAOYSA-N	301.390	1.630	50	20	DDGD	
CCC(=NNC(=O)Cc1cc(O)nc(O)n1)c1ccccc1F	778541876	RERPAEJHNIQVHU-UHFFFAOYSA-N	318.308	1.500	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)c2ccccn2)sc1C	773224569	DQFBFBZBMJXMPV-UHFFFAOYSA-N	311.388	1.383	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cnn(C2CCCCC2)c1	1116030233	DHEIIMLUQQKYGU-UHFFFAOYSA-N	316.365	1.495	50	20	DDGD	
COc1ccccc1OCC(=O)NNc1cc(Cl)nc(N)n1	779375567	YLPFHJFPMFTVLG-UHFFFAOYSA-N	323.740	1.243	50	20	DDGD	
COCCOc1ccc(NC(=O)NN(C)C(=O)OC)c(C)c1	878328396	GVEACGPZRXUWKD-UHFFFAOYSA-N	311.338	1.755	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)[C@@H]1CN2CCCN1CC2	777464140	FYXUPVQMFHOBNW-HNNXBMFYSA-N	311.389	1.068	50	20	DDGD	
CCCCNC(=O)NN=Cc1ccc([N+](=O)[O-])c(OC)c1O	773056443	WUBBKLHDUOIJMQ-UHFFFAOYSA-N	310.310	1.742	50	20	DDGD	
COc1ccc(F)cc1CC(=O)NNc1ncccc1[N+](=O)[O-]	776166666	ANLKZYMDBXQCAU-UHFFFAOYSA-N	320.280	1.823	50	20	DDGD	
CCOc1cc(C)ccc1NC(=O)C(=O)NNc1ncccn1	773719681	OAIBWYYYXLZULT-UHFFFAOYSA-N	315.333	1.266	50	20	DDGD	
COc1cc(C(=O)NNc2ccccn2)c([N+](=O)[O-])cc1OC	777473953	WVXJENVYZHVDJZ-UHFFFAOYSA-N	318.289	1.764	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)CCn1cccn1	773618840	GKEQVKLCKSYHFX-UHFFFAOYSA-N	306.297	1.342	50	20	DDGD	
Cc1noc(C(F)F)c1C(=O)NNc1cc(Cl)nc(N)n1	773863222	SVNYNQMZJPEEAP-UHFFFAOYSA-N	318.671	1.703	50	20	DDGD	
C[C@]1(CNC(=O)NNc2ccc(C#N)cn2)CCO[C@@H]1C1CC1	888819702	FEXLWVBDINLDHK-GDBMZVCRSA-N	315.377	1.785	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@]1(CCO)CCOC1	773020215	XIRKSVNGXNAJRR-BXKDBHETSA-N	308.216	1.454	50	20	DDGD	
CC1(C)C[C@H](NC(=O)NNC(=O)C2CCOCC2)C(C)(C)O1	883557463	BFGWXTZIICONFZ-NSHDSACASA-N	313.398	1.090	50	20	DDGD	
COC(=O)Cc1cn([C@@]2(Cl)C[C@H]2CCBr)nn1	881384117	ZSKUYZHKHCSIDN-XCBNKYQSSA-N	322.590	1.690	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H]1CSCCS1	780739759	QUZDYQQBQOMPRF-NSHDSACASA-N	312.416	1.765	50	20	DDGD	
C[C@@H]1CN(Cc2ccccn2)CCC1=NNC(=O)C(C)(C)O	785459590	BHNUWROHRBGMHX-GFCCVEGCSA-N	304.394	1.167	50	20	DDGD	
COCc1nc(C(=O)NNc2cccc(C(=O)OC)c2)cs1	780801127	FUYWFLDVDABTGX-UHFFFAOYSA-N	321.358	1.833	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(O[C@H]2CCOC2)cc1	788743751	UCEZYVGNSZEKQU-ZDUSSCGKSA-N	307.350	1.208	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCN1CCC[C@@H]1C	897481741	IESGPLNXKDLYFX-LBPRGKRZSA-N	320.393	1.124	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H](C)c2nc(C)no2)c1	780830439	TXSMQLKEGNAAGD-QMMMGPOBSA-N	319.321	1.552	50	20	DDGD	
CCc1csc(NC(=O)C(=O)NNc2ccc(OC)cc2)n1	789747164	SFAPXQZSTUPBKB-UHFFFAOYSA-N	320.374	1.796	50	20	DDGD	
COc1c(Cl)cccc1NC(=O)C(=O)NNc1ccccn1	784800880	GSQBGFLZCNXBQQ-UHFFFAOYSA-N	320.736	1.825	50	20	DDGD	
CS[C@H](CNC(=O)NNC(=O)c1cnn(C)c1)C(C)(C)C	784476989	PMFRROAMZNWUOU-SNVBAGLBSA-N	313.427	1.142	50	20	DDGD	
C[C@H](C(=O)NNC(=S)NC(C)(C)C)C(=O)OC(C)(C)C	899998810	VEQQGBFFLCILOH-MRVPVSSYSA-N	303.428	1.258	50	20	DDGD	
COc1cc(C)cc(C(=O)NNC(=S)NC(C)(C)C)c1O	899996915	YFSRMIJJWDAXCX-UHFFFAOYSA-N	311.407	1.617	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CCN2C(C)(C)C)cc1F	897926745	BVOPWLOXZXTAKU-ZDUSSCGKSA-N	323.368	1.928	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccccc1)c1ccc2c(c1)OCO2	794200125	WOCLZUZPMPPTSV-NSHDSACASA-N	312.325	1.980	50	20	DDGD	
Cc1noc(C2CCC(=NNC(=O)Cc3cc(C)[nH]n3)CC2)n1	797401883	ORIRZCYZPGUOMJ-UHFFFAOYSA-N	316.365	1.782	50	20	DDGD	
CSCCONC(=O)NNC(=O)c1c[nH]c2ccccc12	793250442	UICWVQFJXZDGRP-UHFFFAOYSA-N	308.363	1.407	50	20	DDGD	
COc1cccc(C=NNC(=O)c2cc([N+](=O)[O-])ccc2O)n1	790168469	XCWLLSUAMFPWDX-UHFFFAOYSA-N	316.273	1.468	50	20	DDGD	
Cc1cccnc1NNC(=O)c1n[nH]c(C)c1Br	791216262	NMKGDITUIFXIRU-UHFFFAOYSA-N	310.155	1.941	50	20	DDGD	
COCCO[C@H]1COCC[C@H]1NC(=O)NCCSSC	790829898	FDNFXQUCZRACCM-MNOVXSKESA-N	324.468	1.117	50	20	DDGD	
CCN(CC(=O)NNC(=O)C1CC1)c1ccc(Cl)cc1F	799342934	UKHQQPKGEKEGCD-UHFFFAOYSA-N	313.760	1.863	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)OCCC[C@H](C)O)cc(C#N)n1C	795420504	PJXKXFPRUIIXLK-ODYDIQAQSA-N	301.346	1.816	50	20	DDGD	
Cc1nc(SC(F)F)sc1CC(=O)NN(C)C(N)=O	793753829	QIMIITZCBNPMLL-UHFFFAOYSA-N	310.351	1.350	50	20	DDGD	
COc1cc(NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1Cl	790170906	DIQQDONSQWLPMF-MRVPVSSYSA-N	318.782	1.226	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)COCc1ccccc1	793537724	CLYAEDXWUKCZFZ-IUODEOHRSA-N	308.378	1.412	50	20	DDGD	
C[C@@H]1OCC[C@@]1(O)CNC(=O)[C@@H](Br)C(C)(C)C	790256233	ZKJZTIPXOSOPJN-YGOYTEALSA-N	308.216	1.452	50	20	DDGD	
Cn1ccc(CCC(=O)NNC(=O)c2ccc3ccccc3c2)n1	794237371	DLTUOCCTMWCJAE-UHFFFAOYSA-N	322.368	1.967	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2c(O)ccc(Cl)c2F)n[nH]1	790155068	BOKZORSJFDYQRY-UHFFFAOYSA-N	310.716	1.909	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@@H]2CCC[C@@H]2OC)cc1	1319799380	UXBCRLXLRCLGQE-JSGCOSHPSA-N	321.377	1.454	50	20	DDGD	
COc1ncc(C(=O)NNC(=O)c2ccccc2Cl)cn1	1321831474	YRRYWFJNWWLUNK-UHFFFAOYSA-N	306.709	1.213	50	20	DDGD	
Cc1nn(C)cc1CCC(=O)NNC(=O)Nc1ccccc1	1321258789	QJCLLQNISZAQIA-UHFFFAOYSA-N	301.350	1.514	50	20	DDGD	
Cc1c(C(=O)NNc2ncncc2Cl)ccc2cncn12	1320658295	OEAKTBRZCFXBBZ-UHFFFAOYSA-N	302.725	1.843	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)c2n[nH]c3c2CCCC3)[C@@H]1SC	1324051108	NTALABMDJXZXFI-OCCSQVGLSA-N	322.434	1.915	50	20	DDGD	
C[C@H]1COCC[C@H]1CNC(=O)NNc1nncc(N)c1Cl	1258353373	FMSLEAJQWBGUAB-YUMQZZPRSA-N	314.777	1.011	50	20	DDGD	
C[C@@H]1CCC[C@@H]1NC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1328519652	VMNZTLFIJRRFEG-KEPMVKOISA-N	317.227	1.581	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1Cc2ccccc2C2(CCC2)C1	1327871749	CGOGGUQWCOGMNC-ZDUSSCGKSA-N	315.417	1.870	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H]1COc2ccc(F)cc2C1	1253755400	OQBLCLZAPAAHEZ-SNVBAGLBSA-N	311.382	1.281	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@@H]2CCCCCN2)C[C@H]1Br	1335611095	UPFIESCGGJQMMG-DMDPSCGWSA-N	318.259	1.991	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ncc(Cl)s1	1256495463	IOPNKENKCUTUBZ-UHFFFAOYSA-N	302.665	1.303	50	20	DDGD	
O=C(N[C@H]1CCc2nnnn2CC1)c1cccc(CCl)c1	1336534413	MGQHJIUKSIGITE-LBPRGKRZSA-N	305.769	1.547	50	20	DDGD	
CNC(=O)Cc1ccccc1NC(=O)NCC(Cl)Cl	1330662776	WRLCSJMOUOPVFD-UHFFFAOYSA-N	304.177	1.900	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CSc2ccccc21	1345736321	ACEOYAFFTFUEEB-JBLDHEPKSA-N	321.402	1.589	50	20	DDGD	
CN(C)c1nccc(NNC(=O)CCCC(=O)OC(C)(C)C)n1	1346094472	XIXZOFZUCWEEEL-UHFFFAOYSA-N	323.397	1.498	50	20	DDGD	
CCC[C@H]1CCC[C@H]1C(=O)NNC(=O)C(=O)NC(CC)CC	1261259352	FKTJMMWYBNCOFA-WCQYABFASA-N	311.426	1.655	50	20	DDGD	
CCC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)C1CCNCC1	1345142885	SDSOBNZYVFHTLM-OCCSQVGLSA-N	310.442	1.675	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCc1ccc2c(c1)CCO2	1346094554	ZMLMHIRXLQPPTB-BXUZGUMPSA-N	318.373	1.127	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ccccc2)c(C(=O)O)[nH]1	1600251288	YGZCABGQEXAMKI-UHFFFAOYSA-N	302.290	1.103	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cc(O)cc(-c3nn[nH]n3)c2)cc1	1606377125	CLILSJIAOAVAAB-UHFFFAOYSA-N	321.300	1.201	50	20	DDGD	
O=C(CCCCc1cccc(O)c1)NNC(=O)C1CCOCC1	1520562186	SZYNCHLYFIJQBF-UHFFFAOYSA-N	320.389	1.679	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1cscc1-c1nn[nH]n1	1609559413	CVKSEPVHFMRMPU-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
O=C(NCCCOC(F)F)NNc1ccc(C(=O)O)c(F)c1	1601499196	CIUOEBMQQLVWMC-UHFFFAOYSA-N	321.255	1.779	50	20	DDGD	
O=C(O)C12CC(C(=O)NNc3c(F)cc(F)cc3F)(C1)C2	1601728982	VYLRBQJCTRQGEU-UHFFFAOYSA-N	300.236	1.802	50	20	DDGD	
COc1c(NC(=O)NNC(=O)C(C)(C)C)cccc1C(=O)O	1607034753	UIKZVPILXPUMPN-UHFFFAOYSA-N	309.322	1.592	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2C[C@H]2c2cncn2C)cc1C(=O)O	1600461642	POVLPIWHXJYKOL-CHWSQXEVSA-N	314.345	1.674	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)c1c[nH]c(-c2nn[nH]n2)c1	1606860934	GBOUILQKEQLJDV-UHFFFAOYSA-N	305.248	1.230	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc[nH]n1)C2	1800067624	LLUODTXILUNHSW-WRWGMCAJSA-N	324.812	1.679	50	20	DDGD	
O=C(NN=C1CCc2ccccc2C1)[C@H]1CN2CCC[C@@H]2CO1	1549317439	LFMXRDNBYVMOTO-IAGOWNOFSA-N	313.401	1.511	50	20	DDGD	
CCSc1ccc([C@H](C)NC(=O)NNC(=O)C(=O)O)cc1	1610051348	FQQDEJZRXNQECX-QMMMGPOBSA-N	311.363	1.275	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@@H]2CCCO[C@@H]2c2nccn2C)o1	1549308521	HZVQKGAACINUCY-KGLIPLIRSA-N	316.361	1.940	50	20	DDGD	
Cc1scc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)c1C	1549904749	LJBXANYHQVQPRS-UONOGXRCSA-N	307.419	1.678	50	20	DDGD	
COc1cccc(NCC(=O)NNc2cccc(OC)n2)c1	1579282953	RTBXKYLKIBJBSS-UHFFFAOYSA-N	302.334	1.654	50	20	DDGD	
O=C(NNC(=O)[C@@H](C(=O)O)C1CC1)c1nc2ccccc2s1	1574578242	AZFUDWBHSUUIMH-JTQLQIEISA-N	319.342	1.168	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1cccc(Br)n1)[C@H](C)N	1575408007	JIOOSSOLRFESQY-KWQFWETISA-N	315.215	1.907	50	20	DDGD	
N[C@@H]1C[C@H](C(=O)NNC(=O)Cc2ccc(Cl)cc2)[C@H]2C[C@H]21	1580401693	SXGRGAKDWMYXJL-QNWHQSFQSA-N	307.781	1.013	50	20	DDGD	
CCCC(=O)N1CC2(CCCN2C(=O)[C@@H](Cl)COC)C1	1846361521	ZRWVKNSYWFACPO-NSHDSACASA-N	302.802	1.244	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)C(C)(C)C#N)C2	1845162684	IRSOVMHJYLCXGQ-NSHDSACASA-N	311.813	1.757	50	20	DDGD	
CC(CSCCF)=NNC(=O)c1cccc(-c2nn[nH]n2)c1	1589888422	LSUWVBOCHFTGSY-UHFFFAOYSA-N	322.369	1.675	50	20	DDGD	
CC(C)(CCl)C(=O)N1CCCC12CN(C(=O)c1cn[nH]c1)C2	1841226173	QFEVJHGENXAWCA-UHFFFAOYSA-N	324.812	1.492	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CC	1847489069	OBXIFBRQZCOVFM-CYDGBPFRSA-N	316.829	1.367	50	20	DDGD	
CCC1(C(=O)NNc2ccc(CC(=O)O)cc2)CCOCC1	1595366682	PVOWNLGQJKJSLM-UHFFFAOYSA-N	306.362	1.964	50	20	DDGD	
CCc1cc(C(=O)NNc2ccccc2C(=O)O)c(C)nn1	1597431587	MTMVLUUYTKHPSS-UHFFFAOYSA-N	300.318	1.803	50	20	DDGD	
COCc1cncc(C(=O)NNc2ncccc2C(=O)O)c1	1594029826	RAEMDUISVMEFHV-UHFFFAOYSA-N	302.290	1.078	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](Cc1cccc(OC)c1)C(=O)O	1596864275	UTBFBBXJLNSBBE-GAJOTYCWSA-N	318.329	1.251	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CCCC(=O)O)c(C)c1	1594373544	IYOZJVTVHZHRMB-UHFFFAOYSA-N	307.350	1.118	50	20	DDGD	
COc1cccc(NNC(=O)Nc2cncc(C(=O)O)c2)n1	1594131807	NXLNNFSGINRUNF-UHFFFAOYSA-N	303.278	1.332	50	20	DDGD	
C[C@H](CBr)CN1CC[C@H](n2cc(C(=O)O)nn2)C1	1592210475	CZBLSVFMKHHNFC-BDAKNGLRSA-N	317.187	1.254	50	20	DDGD	
COCCN(CCCI)CCC(=O)O	1599236481	IRFJIVAOOHSWIB-UHFFFAOYSA-N	315.151	1.235	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cs1	1591930007	JNPXCTWUNITPRC-UHFFFAOYSA-N	300.347	1.994	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2ccc(C(=O)O)nc2)c1	1776016542	NYXYIUGFFDQEHH-UHFFFAOYSA-N	313.313	1.617	50	20	DDGD	
C=CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](Cl)CC)C2)C1	1781222349	SDYULMGJVMQKKQ-SWLSCSKDSA-N	314.813	1.410	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)[nH]n1	153266643	UJOMKLSNNIHOLR-SECBINFHSA-N	322.752	1.600	50	20	DDGD	
CSCCCNC(=O)NNc1ccc(-n2cccn2)nn1	153509586	GLZQUMUJRRXWMR-UHFFFAOYSA-N	307.383	1.042	50	20	DDGD	
N#Cc1ccc(NCC(=O)NNC(=O)CCc2ccccc2)cc1	156091997	SPHUUYOHVGYUKJ-UHFFFAOYSA-N	322.368	1.750	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Cc1cc(C)[nH]n1)c1ccccc1	153968899	HJGRUDHCYHQJPL-AWEZNQCLSA-N	300.362	1.602	50	20	DDGD	
O=C(CCl)N[C@@H]1CCc2nnc(-c3ccccc3F)n2C1	1887514099	RNTOTCQPNGOCKU-SECBINFHSA-N	308.744	1.754	50	20	DDGD	
CC[C@H]1CN(S(=O)(=O)c2ccc(CCCl)cc2)C[C@@H]1O	399902909	NUVZCRCDMOZKIB-JSGCOSHPSA-N	317.838	1.859	50	20	DDGD	
CCc1ncc(C(=O)NNC(=O)CNc2ccccc2)s1	104829116	MKMJTWBHNIVSQX-UHFFFAOYSA-N	304.375	1.579	50	20	DDGD	
CC(C)(C)CC(=O)NCC(=O)NNC(=O)Cc1ccc(F)cc1	53112077	CLPWCRTUENZOKA-UHFFFAOYSA-N	323.368	1.068	50	20	DDGD	
CCCN(C)C(=O)NNC(=O)c1cccc(OC(F)F)c1	103516903	LOPQSLFSKMCFDV-UHFFFAOYSA-N	301.293	1.984	50	20	DDGD	
Cc1cc(C)c(/C=C/C(=O)NNC(=O)c2cnn(C)c2)cc1C	117682516	WKCOTVVIDNDBOY-AATRIKPKSA-N	312.373	1.820	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)nc1	119132190	PQBIERGCAVGHKV-UHFFFAOYSA-N	319.252	1.211	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CCCCN2CCOCC2)n1	170693744	QHVGMAZCAHTYOG-UHFFFAOYSA-N	307.398	1.039	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CCC[C@](C)(O)C2)cc(C#N)n1C	179853703	QZJRKZHKTAQOPG-VRXKTSEUSA-N	312.373	1.486	50	20	DDGD	
CC(C)N(C)CC(=O)NNC(=O)Cc1c[nH]c2ccccc12	63465246	ORVIAUQKFVGQSO-UHFFFAOYSA-N	302.378	1.198	50	20	DDGD	
O=C(CC[C@@H]1Cc2ccccc2NC1=O)NNc1cccnn1	172368660	ZRHUVYJCPKJISS-GFCCVEGCSA-N	311.345	1.511	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2C[C@H]2C2CC2)cc1C	175523736	MXRGNAMMLGUPPE-KBPBESRZSA-N	315.373	1.435	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2ccccc2)Cc2ccccc2C(=O)O1	25462521	CIVVOLQZVBPRKR-SFHVURJKSA-N	324.336	1.619	50	20	DDGD	
Cc1ccc(C2(C(=O)NNc3ncccn3)CCOCC2)cc1	110622618	PMPRLRLYSIYHBI-UHFFFAOYSA-N	312.373	1.977	50	20	DDGD	
NC(=O)c1ccc(CNC(=O)NNc2ccc(Cl)nn2)cc1	119847689	LXWVSSOYXWNIDA-UHFFFAOYSA-N	320.740	1.055	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2cnccn2)c2ccc(F)cc2N1	114880735	CLJSWBRFWWTZPZ-SNVBAGLBSA-N	301.281	1.185	50	20	DDGD	
NS(=O)(=O)Cc1ccc(C(=O)NNc2ccccc2)cc1	171861078	CGCMECRIHOTJQR-UHFFFAOYSA-N	305.359	1.232	50	20	DDGD	
O=C(CCNC(=O)NNc1cccnn1)Nc1ccccc1	172466339	ZWBLXRIVHVXQOZ-UHFFFAOYSA-N	300.322	1.132	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNC(=O)c2c[nH]c3ccccc23)c[nH]1	173673865	GXVSYRVYBUGGCM-UHFFFAOYSA-N	310.313	1.239	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)o1	129090076	OOVXHQIVNQYRBX-YPMHNXCESA-N	307.350	1.490	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCc2cscn2)c(O)c1	171262973	NSFSWQAGVWQXMB-UHFFFAOYSA-N	305.359	1.551	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1nc(-c2nccn2C)cs1	128523603	PVPJHWMHZUSXCS-VQHVLOKHSA-N	303.347	1.926	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc2c1CCCC2	124764186	SSUNTSGWFZAHGO-NSHDSACASA-N	317.389	1.697	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(-c3ncn(C)n3)cc2)ncn1	183801118	JEWLXRBUQJGZQG-UHFFFAOYSA-N	309.333	1.337	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)C1(c2cccc(F)c2)CCC1	186141940	VVNGUOVWMQTZJL-UHFFFAOYSA-N	316.336	1.361	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F)N(C)C	126302632	IWJLTXJQRBADQV-PWSUYJOCSA-N	311.357	1.081	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2cccc(C)n2)cc1	73893558	NVBUIAPKVKZAJP-UHFFFAOYSA-N	314.345	1.272	50	20	DDGD	
O=C(Cc1ccoc1)NNc1nnc(-c2ccccn2)s1	188243473	NPXFXPJVCQZBDE-UHFFFAOYSA-N	301.331	1.879	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Nc1ncc(C)s1	138948403	BLZMSRNBFYFZTO-UHFFFAOYSA-N	320.374	1.856	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)OC(C)(C)C)C(C)(C)CN(C)C	85423651	JXDFREHXRBTQTB-JTQLQIEISA-N	302.419	1.702	50	20	DDGD	
N#Cc1ccc(CC(=O)NNC(=O)NC2CCCCC2)cc1	194834168	NAIUGYXSUNOTBR-UHFFFAOYSA-N	300.362	1.764	50	20	DDGD	
Cn1ccc(CNC(=O)NNC(=O)COCc2ccccc2)c1	81508838	VNAUCDSJABSRSM-UHFFFAOYSA-N	316.361	1.072	50	20	DDGD	
CC(=O)c1cc(C(=O)NNc2cc(Cl)nc(N)n2)ccc1C	194475088	ATHAKUUQFGSOAF-UHFFFAOYSA-N	319.752	1.980	50	20	DDGD	
O=C(Cc1c(F)cccc1F)NNC(=O)c1ccccc1O	88252289	HAFHFVNJDZUFIA-UHFFFAOYSA-N	306.268	1.674	50	20	DDGD	
Cc1ccccc1C(C)(C)C(=O)NNC(=O)N1CCOCC1	194953699	KOJMMVZPNLENMD-UHFFFAOYSA-N	305.378	1.346	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc(F)cc1F	94121034	LANLXDUOJSXOTE-UHFFFAOYSA-N	305.375	1.437	50	20	DDGD	
C[C@H]1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C	248343512	KKAIEILQYJTNSF-QWRGUYRKSA-N	320.349	1.086	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCC(=O)NC2)cc1	263826703	PUVLEMUBWJXDRB-KADHNRKRSA-N	313.357	1.387	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H]2CSCCS2)n1	267515898	NNKSLZYSPAYKSI-ZETCQYMHSA-N	304.828	1.730	50	20	DDGD	
COC(=O)CCCNC(=O)NNc1ncnc2ccsc12	268892801	APBNSKJKSHWTJO-UHFFFAOYSA-N	309.351	1.271	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccccc1F)N1CCCCCC1	265022528	RDEUXQIJZONTGH-GFCCVEGCSA-N	307.369	1.851	50	20	DDGD	
CNC(=O)[C@@H](C)CN(C)/C(=C/C#N)c1cccc([N+](=O)[O-])c1	267365974	JFZBTQKPDLORFW-NGPAHMQLSA-N	302.334	1.773	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NC[C@H]1COC2(CCCC2)O1	367680021	YVQOEIPGQGWGFI-JTQLQIEISA-N	315.370	1.411	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCc3[nH]ncc3C2)s1	270267463	VSAPSCJPUXTTAO-SECBINFHSA-N	304.375	1.346	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)COc1ccccc1OC	273608151	XLVCLWKLWHZITJ-UHFFFAOYSA-N	324.377	1.284	50	20	DDGD	
Cn1ncc2c1C[C@@H](C(=O)NNc1ncccc1Cl)CC2	366892387	JFOCCFIIADCOKN-VIFPVBQESA-N	305.769	1.717	50	20	DDGD	
COC(=O)C1(CNC(=O)NNc2ncnc3ccsc23)CC1	274958462	GRBSIZRISNKPTK-UHFFFAOYSA-N	321.362	1.271	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)C2CC2)c1Br	276955300	XVIJDGJHQVNRHS-UHFFFAOYSA-N	303.181	1.990	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1	367749070	JTMUPPBDTLHVDB-LLVKDONJSA-N	320.324	1.253	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)C2C[C@H]3CCC[C@H](C2)C3)nn1	365676835	VFUHHKUZMQIUMQ-UWVGGRQHSA-N	303.366	1.235	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)[C@@H]1CCCCS1(=O)=O	275015054	FXEYWIUMEHIRLX-JTQLQIEISA-N	322.308	1.514	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)Nc1c[nH]c(C(N)=O)c1	274445962	YCDQQWSXSWKSCB-MRVPVSSYSA-N	302.172	1.862	50	20	DDGD	
COC(=O)c1ccc(F)c(NC(=O)NNC(=O)CC(C)C)c1	273496348	PNDMQRINVLPHDM-UHFFFAOYSA-N	311.313	1.811	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)CBr	272789787	JCRPJZLXDYWQJT-UHFFFAOYSA-N	310.125	1.964	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2c(F)cccc2F)[C@H]1OC	275190542	FMRPOHUXPGOKAV-NQBHXWOUSA-N	315.320	1.783	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)C(=O)Nc1c(C)c(C)nn1C	274630854	WKUIWDSQYSZUJP-UHFFFAOYSA-N	319.340	1.566	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)[C@H]1CCCCS1(=O)=O	275108658	XPEBUZZAPXUVQV-LLVKDONJSA-N	322.308	1.514	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)n1	271539054	PEWJECFQPSMAPR-CHWSQXEVSA-N	307.398	1.923	50	20	DDGD	
C[C@H]1COCC[C@@H]1CNC(=O)NNC(=O)Cc1ccccc1F	287040952	SXRXDPOEAWRUEE-WCQYABFASA-N	323.368	1.371	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccc([N+](=O)[O-])cc1C)N1CCCC1=O	288742512	PTDCMKISUQFNLT-ZDUSSCGKSA-N	320.349	1.747	50	20	DDGD	
CSSCCNC(=O)N1CCC(Cn2ccnn2)CC1	284334494	WYTARCXJFZYDAJ-UHFFFAOYSA-N	315.468	1.711	50	20	DDGD	
Cc1ccc(-c2ccnn2C)cc1NC(=O)NNC(=O)C1CC1	281387781	UKUBNDXBBYCUGV-UHFFFAOYSA-N	313.361	1.958	50	20	DDGD	
CC(C)[C@H](NC(=O)NNC(=O)CC(C)(C)C)c1nncn1C	286903597	LWBAGCRSLAHBJV-NSHDSACASA-N	310.402	1.279	50	20	DDGD	
C[C@H](NC(=O)NNc1cccnn1)[C@H](c1ccccc1)N(C)C	288164833	OUTVKDPQXOTXNJ-SWLSCSKDSA-N	314.393	1.794	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NNc1cnc2ccccc2n1	286020676	JAVZBQVSQAWYGJ-CQSZACIVSA-N	313.361	1.474	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1c(F)cccc1SC	281547655	JBSIXAOLDSIJMQ-UHFFFAOYSA-N	315.370	1.528	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C2CCN(CC(F)F)CC2)n1	280750081	KVSDDJJUNYMFBO-UHFFFAOYSA-N	313.352	1.514	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC(F)(F)F)c(O)c1C	281245375	NUGJTQGJUIESSO-UHFFFAOYSA-N	305.256	1.515	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2ccc(C)cc2O)ccn1C	289726971	GKOCXMSAEJRRKH-UHFFFAOYSA-N	301.346	1.676	50	20	DDGD	
COc1ccc2c(c1)C[C@@H](C(=O)NNc1cccc(F)n1)CO2	286548055	JLWFWTUTWWJTBF-LLVKDONJSA-N	317.320	1.924	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H]2O[C@H](C)C[C@H]2C)n1	282117401	GDCRWMLLSXTFKB-NQBHXWOUSA-N	307.398	1.579	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccccc1OC1CC1	287856362	OJOLOEJNTBNGKK-UHFFFAOYSA-N	300.318	1.783	50	20	DDGD	
CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NNc1ccncc1	290432084	NYNNAPWTSJDUJU-NSHDSACASA-N	310.354	1.064	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2ncccc2Cl)ccn1	806967519	HOQCHVQDCVPNKU-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
Cc1nn(C)c(Br)c1C(=O)NNc1ccccn1	801182985	FTTHEJDZVLQOAC-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc2c(c1)SCC(=O)N2	290460335	VGJLLQWVFHGDSY-UHFFFAOYSA-N	308.363	1.037	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)CC2CCN(C)CC2)c1	293943728	OEJIKRTWFVDWFN-UHFFFAOYSA-N	304.394	1.820	50	20	DDGD	
O=C(C[C@@H]1CCCOC1)NNC(=O)Nc1ccc2c(c1)OCO2	802097197	PIXOJDNBDIZFHB-JTQLQIEISA-N	321.333	1.385	50	20	DDGD	
Cc1cccc(CCNC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	297414677	YORVPHXBFMAXCW-JSGCOSHPSA-N	305.378	1.435	50	20	DDGD	
O=C(NCC(Cl)Cl)[C@H]1CCCN(C(=O)N2CCCC2)C1	808129835	XUAVJOAGVMQEAC-JTQLQIEISA-N	322.236	1.834	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NN(CCC)C(=O)OC(C)(C)C	804594537	FMBOISKYLZNDML-ZDUSSCGKSA-N	309.410	1.762	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)c2ccco2)cc1	801109293	YKNXHZGDKWNCRD-NSHDSACASA-N	315.329	1.478	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNc1ccc(F)cn1)c1nncn1C	805766993	RKUNFIAKIWRNGF-LLVKDONJSA-N	307.333	1.373	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNc1ccc2c(=O)[nH]ccc2c1	803430128	WNOVRGBONJPMDK-AWEZNQCLSA-N	300.362	1.456	50	20	DDGD	
O=C(CCNC(=O)c1ccsc1)NNc1ncccc1F	804211102	FNNGGUMBPKVLPT-UHFFFAOYSA-N	308.338	1.545	50	20	DDGD	
CN(C)N(C(=O)/C=C/c1ccsc1)[C@H]1CCS(=O)(=O)C1	298115834	YXRWWJYJKLXGIY-PCAWENJQSA-N	314.432	1.254	50	20	DDGD	
COCC1(C(=O)NNc2nc3ccccc3[nH]2)CCOCC1	810793233	GHBOZDHQBWRYMN-UHFFFAOYSA-N	304.350	1.449	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)c1ccc(OC)c(OC)c1	812446586	HEMYQTPUPDJNQF-MNOVXSKESA-N	324.377	1.383	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)CCn1ncn(C)c1=O	816782332	SDOSVVLBHONXAL-UHFFFAOYSA-N	317.393	1.547	50	20	DDGD	
CC(C)(C)c1noc(CCCC(=O)NNc2ncncc2F)n1	817077678	KPXQKFHXPSCXRB-UHFFFAOYSA-N	322.344	1.762	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N(C)[C@H](C)C(=O)O)cc(C#N)n1C	818772697	KHBHQNZSUVMHCJ-CGYDICSFSA-N	300.318	1.044	50	20	DDGD	
CC(C)[C@H](C(=O)NN(C)C1CC1)S(=O)(=O)C1CCCCC1	819647237	KKGUDXPGZJOOMS-CQSZACIVSA-N	316.467	1.884	50	20	DDGD	
COCc1nnc(-c2cccc(C(=O)NN(C)C3CC3)c2)o1	819650234	IFIZXHZOHMUEIR-UHFFFAOYSA-N	302.334	1.622	50	20	DDGD	
O=C(NN=Cc1cnc2ncccn12)Nc1ccc2c(c1)OCO2	814994345	MZEGRGWPPZTSLL-UHFFFAOYSA-N	324.300	1.614	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1)c1c[nH]nc1C	814767515	ZKBAAPCAVOIZQW-IJLUTSLNSA-N	321.425	1.304	50	20	DDGD	
O=C(NNc1cccc(F)c1F)c1cn(C2CCOCC2)nn1	810446874	GTUSYHGZTKLYJC-UHFFFAOYSA-N	323.303	1.665	50	20	DDGD	
CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NN(C)C1CC1	819653106	HHXZQLCGMUBXIG-UHFFFAOYSA-N	310.285	1.431	50	20	DDGD	
CN1CCN(C(=O)NN=C2CC[C@@H]3CNc4cccc2c43)CC1	814913497	OBRRVVXPRKXGRX-GFCCVEGCSA-N	313.405	1.651	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	812451962	OHUAXPSTQICXIV-VXGBXAGGSA-N	317.389	1.776	50	20	DDGD	
Cn1cc(C=NNC(=O)c2ccc3c(c2)OCO3)c(C(F)F)n1	812221496	DQFJNYXUVVJHGF-UHFFFAOYSA-N	322.271	1.850	50	20	DDGD	
COc1ccnc(NNC(=O)c2cccc([N+](=O)[O-])c2Cl)n1	816859828	MVKZFDDSKYIFAF-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)COc2ccc(F)cc2)nc1	728856309	WYHTYSSXFFOJIX-UHFFFAOYSA-N	313.288	1.042	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C	726616954	XJWIUAICXJGMMS-VXGBXAGGSA-N	312.414	1.152	50	20	DDGD	
COCCN(C)NC(=O)C(C)(C)CNC(=O)OC(C)(C)C	496580554	DCWHIYORQCQCQH-UHFFFAOYSA-N	303.403	1.147	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=S)NCC1CCC1	727271206	SSDHXBULUSXXEG-UHFFFAOYSA-N	311.382	1.500	50	20	DDGD	
COC(=O)[C@H](C)N(C(=O)/C(C#N)=C/c1cnn(C)c1)C1CCC1	490973677	LWVYMOIHVYNDHN-DELQEKLWSA-N	316.361	1.270	50	20	DDGD	
C[C@@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)OC(C)(C)C	491010705	MQUTYXMPWZNYSA-GWHHBTOMSA-N	304.350	1.173	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccn2cc(C(F)(F)F)nc2c1	823798516	FEAJJPOJQABLMI-UHFFFAOYSA-N	315.255	1.317	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1ccc(C(=O)O)cc1F	821451649	FBSLVPWXYBVIMS-UHFFFAOYSA-N	318.264	1.001	50	20	DDGD	
CSCC[C@@H](N)C(=O)NN=c1sc2ccccc2n1C	826614314	IEEJUPSQJIZCBG-SECBINFHSA-N	310.448	1.252	50	20	DDGD	
OB(O)c1ccc(CNCCCSc2ccc(F)cc2)o1	585015136	PPPWBUFMMWTROB-UHFFFAOYSA-N	309.171	1.371	50	20	DDGD	
C[C@H](CNC(=O)[C@@]1(C)C[C@@H]1Br)Cn1ccnc1	906765396	GSXUPDGTYYKOHG-SCVCMEIPSA-N	300.200	1.809	50	20	DDGD	
COc1cc(C=NNC(=O)c2ncon2)ccc1OC(C)C	901286526	SNFLWUHEEDHIKG-UHFFFAOYSA-N	304.306	1.629	50	20	DDGD	
CCOC1CC(C(=O)NNc2cccc(F)c2C(=O)OC)C1	822730990	DJQZVBPAVGWVCA-UHFFFAOYSA-N	310.325	1.871	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Cn1ccc(C)n1)c1ccccc1	823243328	JWCWSDYKYGNGSV-CQSZACIVSA-N	300.362	1.533	50	20	DDGD	
CC[C@@H](C)CCNC(=O)NNC(=O)COc1ccc(F)cc1	820873488	QPTAQONDXDEJNE-LLVKDONJSA-N	311.357	1.971	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CC[C@@H](c3cccnc3)C2)cn1	491005863	CCUANLUEVJNIEM-XDMSJONFSA-N	307.357	1.738	50	20	DDGD	
C[C@@H](CNC(=O)/C(C#N)=C/c1cnn(C)c1)N(C)c1ccccc1	491045348	DWQWERWGGVUVRG-FSEGOYHTSA-N	323.400	1.968	50	20	DDGD	
CC(C)OCCC(=O)NNc1ccccc1S(C)(=O)=O	732304321	VLKGSIKVFFJJOU-UHFFFAOYSA-N	300.380	1.348	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)Cc1nc2ccccc2n1C	491427252	JURVFYBAOPHZPE-UHFFFAOYSA-N	320.356	1.096	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)OC(C)(C)C)ccc1C#N	496667684	MYFGYGMUORNUGS-UHFFFAOYSA-N	311.363	1.585	50	20	DDGD	
CCCNC(=O)NNC(=O)C1(NC(=O)OC(C)(C)C)CCC1	497128547	LCDXHTHLPGMETQ-UHFFFAOYSA-N	314.386	1.174	50	20	DDGD	
C[C@H]1CCCC[C@@H]1N1CCC(=NNC(=O)c2ncon2)CC1	901289690	KVBOKIVDKLKPCH-AAEUAGOBSA-N	305.382	1.830	50	20	DDGD	
CC(C)CSCCc1nc(-c2cccc(B(O)O)c2)no1	585051358	DAUVMKNVWQPGTC-UHFFFAOYSA-N	306.196	1.348	50	20	DDGD	
O=C(NNC(=S)Nc1ccc2c(c1)OCO2)C1CCOCC1	905569454	SXYMZKQLZPMQOU-UHFFFAOYSA-N	323.374	1.160	50	20	DDGD	
CCS[C@H]1CCCC[C@H]1NCc1ccc(B(O)O)cc1F	585026285	KOCKVUSSWOGNCP-CABCVRRESA-N	311.231	1.659	50	20	DDGD	
CN(C)C[C@](C)(C=NNC(=O)c1ncon1)c1ccccc1	901287148	PGHHQSNZVPKLFM-HNNXBMFYSA-N	301.350	1.305	50	20	DDGD	
CN(C)c1ccc(C(=O)O)cc1C=NNC(=O)[C@@H]1CCCCO1	901249951	LRPKALODCVNPLB-AWEZNQCLSA-N	319.361	1.470	50	20	DDGD	
CCN(CC)C(=O)CCCNC(=O)[C@]1(C)C[C@H]1Br	906179739	XQYWPIHXLAGACT-ZWNOBZJWSA-N	319.243	1.925	50	20	DDGD	
OB(O)c1cccc(-c2noc([C@H]3CC34CCSCC4)n2)c1	585052645	SSKMDONBCJDBSS-GFCCVEGCSA-N	316.191	1.417	50	20	DDGD	
CC1CCN(c2ccc(C(=O)N3CC[C@H](B(O)O)C3)cn2)CC1	585068482	BJZBULRTDBJUJH-AWEZNQCLSA-N	317.198	1.007	50	20	DDGD	
C[C@H]1CC(=NNC(=O)COc2ccccc2C#N)c2nccn21	834927566	NFBVXWAXHRQHJX-NSHDSACASA-N	309.329	1.619	50	20	DDGD	
CC(C)N1C(=O)C(=NNC(=O)[C@H]2CCCCO2)c2ccccc21	834988721	ABNRSPKVDYXKMO-CQSZACIVSA-N	315.373	1.831	50	20	DDGD	
C[C@]1(NNC(=O)NCC2CCCCCC2)CCS(=O)(=O)C1	838668981	QXCNMCZAVPIETH-AWEZNQCLSA-N	317.455	1.338	50	20	DDGD	
O=C(NN=C(CC(F)(F)F)c1ccccc1)C(=O)NC1CC1	915955952	NRFZJMXVVJZKPW-UHFFFAOYSA-N	313.279	1.738	50	20	DDGD	
Cc1ccc(C)c(C=NNC(=O)[C@H](C)CN2CCOCC2)c1	916364135	DHLSTXIHROSNOZ-OAHLLOKOSA-N	303.406	1.722	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H]1CCn2ccnc2C1	836563676	BNCLCIKVPMYQHJ-SNVBAGLBSA-N	317.301	1.968	50	20	DDGD	
CCOCCONC(=O)NNc1ccc(C(=O)OC)c(F)c1	838555631	CAJHWSIUMTVQNE-UHFFFAOYSA-N	315.301	1.207	50	20	DDGD	
O=C(COC/C=C\c1ccccc1)NNC(=O)[C@H]1CCCCO1	833245983	BXCIBBLAZIXJTD-WUKHSURWSA-N	318.373	1.433	50	20	DDGD	
CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)[C@@H]1CCCC[C@H]1C	834956292	OBCJIAMCTNACTF-ADEWGFFLSA-N	303.428	1.243	50	20	DDGD	
CCN1CCC(=NNC(=O)Cc2cn3ccccc3n2)[C@@H](C)C1	747638312	KQSFWASCNMRZFA-ZDUSSCGKSA-N	313.405	1.711	50	20	DDGD	
COc1ccc(Cl)cc1C=NNC(=O)CN1CCCC1=O	917539531	OEGVGAQRGCFJBC-UHFFFAOYSA-N	309.753	1.421	50	20	DDGD	
NCCCC(=O)NNC(=O)N[C@H](c1ccccc1)C(F)F	841249697	PBPDNIDHOFQBPE-LLVKDONJSA-N	300.309	1.062	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCc1ccc(N(C)C)cc1	843646155	VAFPSQJCEJPHCU-IUODEOHRSA-N	319.405	1.258	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1C[C@@H](OCC)C12CCCC2	745919134	AJBXUGLTJKPXMM-VXGBXAGGSA-N	313.398	1.091	50	20	DDGD	
CC(C)N1C(=O)C(=NNC(=O)[C@@H]2CCO[C@H]2C)c2ccccc21	842557374	VBZRBHLVGBIZRW-NWDGAFQWSA-N	315.373	1.687	50	20	DDGD	
CC(=O)c1ccc(NC(=S)NNC(=O)[C@H]2CCO[C@H]2C)cc1	843276664	GDXAVWYMUFPFQN-GWCFXTLKSA-N	321.402	1.632	50	20	DDGD	
COc1ccnc(NNC(=O)c2cnc3ccsc3c2)n1	742045223	ZAWLGKYZSQIJNQ-UHFFFAOYSA-N	301.331	1.852	50	20	DDGD	
COc1ccccc1CN(C)CC(=O)NNC(=O)C(C)(C)C	744384107	IHUKKOGXPMZKMB-UHFFFAOYSA-N	307.394	1.321	50	20	DDGD	
CC[C@H]1COC(C)(C)CN1[C@H](C)C(=O)NNC(=O)CC(C)C	844384822	HTBDGOLKTCGBLM-OLZOCXBDSA-N	313.442	1.458	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2CCCS2(=O)=O)cc1Cl	847723257	WMPBTPXWMOKNIS-NSHDSACASA-N	313.766	1.232	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NN=Cc1ccc(C(=O)O)[nH]1	749810413	UXNJMQSPAQEHBS-SECBINFHSA-N	319.292	1.770	50	20	DDGD	
Cn1cccc1C(=O)NN=Cc1ccccc1N1CCOCC1	912806280	LXMGICNPVAOXBY-UHFFFAOYSA-N	312.373	1.626	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNc2cc(O)nc3ncccc23)[C@@H]1C	913996222	MIJBKWJMDRDSQT-QOBXEIRBSA-N	316.361	1.838	50	20	DDGD	
O=C(COc1ccccc1F)NN=Cc1ccc(O)c(O)c1	916300583	MNQKGPDIBZKVLM-UHFFFAOYSA-N	304.277	1.766	50	20	DDGD	
COc1ccccc1C1(C(=O)NNC(=O)CC(F)(F)F)CC1	749265378	HVLABTPNVHTCGY-UHFFFAOYSA-N	316.279	1.827	50	20	DDGD	
CO[C@](C)(C1CC1)[C@@H](C)NC(=O)NNC(=O)c1ccccc1F	840420353	ZSGSDINRFHYELJ-HWPZZCPQSA-N	323.368	1.973	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)Cn2ccc3ccccc32)c2ncnn21	841623221	GQMFXQPJAADPQC-LLVKDONJSA-N	308.345	1.718	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCN(C)C1CCCCC1	843972194	TXPFGWCRRLWRFC-GXTWGEPZSA-N	311.426	1.213	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@@H]2CCCNC2)cc1	841925967	JBPKVTBVVVFTMT-CYBMUJFWSA-N	304.394	1.193	50	20	DDGD	
CCNC(=O)CCCC(=O)NNc1cccc(C(F)(F)F)n1	740135925	FHPZOFFTYALCEC-UHFFFAOYSA-N	318.299	1.850	50	20	DDGD	
NCC[C@@H](NC(=O)NNc1cccc([N+](=O)[O-])c1)C(F)(F)F	841331745	AKGSZUQERASXQD-SECBINFHSA-N	321.259	1.501	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)NCCCC(C)(C)C	748634738	XABJXTXCQIXSFV-NSHDSACASA-N	303.403	1.195	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNC(=O)COc1ccc(F)cc1	841376866	YFWUNDVVUVPPAJ-CYBMUJFWSA-N	312.341	1.413	50	20	DDGD	
O=C(CCSc1ccc(F)cc1)NNC(=O)c1cn[nH]c1	920426546	MLWPHZYRRXCJHI-UHFFFAOYSA-N	308.338	1.492	50	20	DDGD	
CO[C@@H](CC(=O)NNC(=O)c1ccc(C)cc1O)C(F)(F)F	846631726	CNOZREHCXQUTTF-JTQLQIEISA-N	320.267	1.429	50	20	DDGD	
CC(C)NCCCNC(=O)NNC(=O)c1cc2c(s1)CCC2	841934511	YOCGAWMTZNGOEI-UHFFFAOYSA-N	324.450	1.569	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H](C)CNC(=O)OC(C)(C)C	755290062	JMGGIMDXABDGDF-JTQLQIEISA-N	316.402	1.276	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1c(C)cc(C)nc1C	923465034	UXNYHGQMOJDKLF-LLVKDONJSA-N	307.350	1.110	50	20	DDGD	
CNC(=S)N(C)NC(=O)C(C)(C)c1ccc2c(c1)OCCO2	854925191	FPJRUFSXORFPMB-UHFFFAOYSA-N	323.418	1.203	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@]23CCC[C@@H]2C3)c1	924433554	ZBHUXUCWWHJAFR-CXAGYDPISA-N	316.357	1.489	50	20	DDGD	
CN1CC[C@H]1CNS(=O)(=O)c1ccc(CCCCl)cc1	921414181	FLINGPMOABYSBT-ZDUSSCGKSA-N	316.854	1.840	50	20	DDGD	
O=C(NN=Cc1c[nH]c2ncccc12)C(=O)Nc1ccccn1	758387965	STDDZOUHZDAAGS-UHFFFAOYSA-N	308.301	1.047	50	20	DDGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC(C(=O)NCCO)CC1	750795746	RJCNUMYUTRVCEE-FZSIALSZSA-N	317.364	1.511	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2cccc(N(C)C)c2)cn1	757733493	OEUXUNXNFYECNH-UHFFFAOYSA-N	313.361	1.923	50	20	DDGD	
C[C@@H]1CCC[C@@H](OCC(=O)NNC(=O)OCC(F)(F)F)C1	856023609	PSPNLBHJDVJNPJ-RKDXNWHRSA-N	312.288	1.901	50	20	DDGD	
CS(=O)(=O)CCCOC(=O)/C(C#N)=C/c1ccc(O)cc1	754549765	NQKUGJSVDTVSSP-FMIVXFBMSA-N	309.343	1.277	50	20	DDGD	
Cc1cc(O)c(C=NNC(=O)N2CCN(C)CC2)cc1Cl	853337174	CTWBKYNLJNWMGU-UHFFFAOYSA-N	310.785	1.645	50	20	DDGD	
COC[C@@H](C)Oc1ccc(C=NNC(=O)c2cc(C)[nH]n2)cc1	853322523	UJSXLMWRHUWDTR-GFCCVEGCSA-N	316.361	1.896	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C	858092519	XIVFLEHHGRMAED-QISWUMQESA-N	321.333	1.415	50	20	DDGD	
CON(C)C(=O)CNC(=O)NNc1ccc(F)cc1Cl	922935760	UWUKVXKKWFPEDA-UHFFFAOYSA-N	304.709	1.125	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)[C@@H]1[C@H]2CCC[C@H]21	855832026	QIOBQJDNUALAGG-PJXYFTJBSA-N	309.410	1.122	50	20	DDGD	
O=C(OC[C@H](CBr)C1CC1)c1cc2n(n1)CCO2	859697376	FLWZYWCWJXMWPV-VIFPVBQESA-N	315.167	1.853	50	20	DDGD	
CON=Cc1ccc(C(=O)NNC(=S)N[C@H](C)C2CC2)cc1	855102567	LENCRQOVUZQVJO-SNVBAGLBSA-N	320.418	1.574	50	20	DDGD	
CC(=O)NNC(=O)[C@]1(C)CC1(Br)Br	854155804	VIOUUGJXBUWXOH-LURJTMIESA-N	313.977	1.050	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(CC)CC(=O)NC)cc1	756992129	FNKQFTJNZZVDDU-GXDHUFHOSA-N	315.373	1.587	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=Cc1ccc(O)cc1O	853410164	DEMZBCWMOICEOA-UHFFFAOYSA-N	321.377	1.490	50	20	DDGD	
C[C@]1(CNC(=O)N2CCn3cncc3C2)C[C@@H]1Br	856957736	HGECJESFPFSPNR-CMPLNLGQSA-N	313.199	1.582	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)c2ccc(O)cc2)C[C@H]1Br	857390410	DTJWCAYQTMNACY-MFKMUULPSA-N	312.163	1.865	50	20	DDGD	
CCC[C@H](O)CC(=O)NNC(=O)c1cccc2ncccc12	750302757	SZQZOXDRLLKXFW-NSHDSACASA-N	301.346	1.547	50	20	DDGD	
CCO[C@H]1CCN(C(=O)NC[C@]2(C)C[C@@H]2Br)C1	923375138	YGMSAWQPWPHHLX-NHCYSSNCSA-N	305.216	1.980	50	20	DDGD	
CCCN1CC[C@@H](NC(=O)NNc2ncnc3ccsc23)C1	852632290	UCYYITFCXLCKTN-SNVBAGLBSA-N	320.422	1.802	50	20	DDGD	
COc1cc(C2(C(=O)NNc3cnnn3C)CCC2)ccc1C	857271478	NPYXALSPWYVLHZ-UHFFFAOYSA-N	315.377	1.697	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)Nc2ccc(N(C)C)cc2)C1	858984527	RTXCOJMHWQGCRS-AULYBMBSSA-N	321.381	1.266	50	20	DDGD	
COC(=O)c1ccc(NC[C@@]2(C)C[C@@H]2Br)nn1	856786146	ODRYZENCOJBSAN-GZMMTYOYSA-N	300.156	1.849	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc2c(c1)COC2)C1CC1	751621610	YSQOMPHMNCHXCV-SECBINFHSA-N	305.403	1.624	50	20	DDGD	
COCC(=O)NN=C1CC2(CCN(C)CC2)Oc2ccccc21	755773386	WADZQSFJENQRTC-UHFFFAOYSA-N	317.389	1.400	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC(c2ccncc2)CC1	759943194	ZCJRGTAOZIUEON-LBPRGKRZSA-N	304.394	1.207	50	20	DDGD	
C[C@@H]1CC/C(=C/C(=O)NNC(=O)COc2ccccc2O)C1	753609057	RZYVKJKGRZFQRZ-ZGSOTFDTSA-N	304.346	1.665	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@H](C)CC1(C)OCCO1	758862475	IEWXUWMGKVOAIH-LLVKDONJSA-N	301.387	1.152	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1CCSc2ccccc21	755285285	MFZKICODMKGGOL-LBPRGKRZSA-N	316.386	1.379	50	20	DDGD	
COCCOc1ccccc1C=NNC(=O)c1cccn1C	751522086	UBTRQLWIHDLCOK-UHFFFAOYSA-N	301.346	1.814	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NNC(=O)c1cccc(Cl)c1	862993326	NUTMWDQKNMSQAG-LBPRGKRZSA-N	309.797	1.974	50	20	DDGD	
CCn1cc(C(=O)NNc2cccc(C(=O)OC)c2F)c(C)n1	861926774	BPJXUYRIWHJWOC-UHFFFAOYSA-N	320.324	1.894	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)OC[C@@H](CBr)C1CC1	869675292	OHFSBEIRTYVLEW-MNOVXSKESA-N	306.200	1.865	50	20	DDGD	
O=C(Cc1nnc(-c2ccccc2)o1)NNC(=O)C1CCC1	865701699	PMXHDTPUTXETNQ-UHFFFAOYSA-N	300.318	1.227	50	20	DDGD	
CN1C(=O)CS/C1=C/C(=O)NC[C@]1(C)C[C@@H]1Br	864072532	JTYAHKWWIMQKJC-YLBLJKAESA-N	319.224	1.323	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2cc(O)cc(C(F)(F)F)c2)N1	863149898	IFIGEKBORXNZAP-JTQLQIEISA-N	315.251	1.140	50	20	DDGD	
Cc1nc([C@@H]2CCOC2)sc1C(=O)NNC(=O)NC1CC1	865014871	PTVYGRYFPIELTQ-MRVPVSSYSA-N	310.379	1.062	50	20	DDGD	
O=C(NNc1ccc(Cl)c(F)c1)[C@@H]1CN2CCCN1CC2	764467310	PYTPRDWNKWNGDO-ZDUSSCGKSA-N	312.776	1.312	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCc1ccc(-c2ccccc2)o1	768261807	OYWCHFBDNVGBNV-UHFFFAOYSA-N	316.357	1.798	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2ccnn2CC(C)C)c1	862480055	LUSZWXMFQCNXLO-UHFFFAOYSA-N	306.391	1.984	50	20	DDGD	
CCCCn1nccc1NC(=O)C(=O)NNc1cccc(C)n1	861959337	CKLVZHDQGQPDII-UHFFFAOYSA-N	316.365	1.468	50	20	DDGD	
COCCCn1cc(C(=O)NNc2cccc(F)c2F)cn1	860327446	GBHCVUNYLGGBRF-UHFFFAOYSA-N	310.304	1.955	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1ccc2cc[nH]c2c1	863074065	WVNJIIUTQWJZMC-ZDUSSCGKSA-N	314.389	1.586	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1nc(-c2ccccc2)cs1	763438052	NKSNAMKBKYQIQM-UHFFFAOYSA-N	318.358	1.306	50	20	DDGD	
Cc1cccc(NNC(=O)CCS(=O)(=O)C2CCCC2)n1	862523715	LUZCEGBRBFDSKF-UHFFFAOYSA-N	311.407	1.581	50	20	DDGD	
CC(C)[C@H]1CCCCC1=NNC(=O)Cc1cc(O)nc(O)n1	764697408	DHHFMIAYQFCVTF-LLVKDONJSA-N	306.366	1.749	50	20	DDGD	
CC(=O)OCCc1cccc(NC(=O)NNC(=O)C2CCC2)c1	764713017	SNUPVECWVUVWHY-UHFFFAOYSA-N	319.361	1.745	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)c1nc2ccccc2s1)OC	873018318	LEBITLPZZPUMRD-VIFPVBQESA-N	322.390	1.665	50	20	DDGD	
CCOc1nccc(C)c1C(=O)NNc1nc(C)cc(C)n1	765206456	NFUSVEYQVABXEG-UHFFFAOYSA-N	301.350	1.952	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C[C@H]2CCCO2)c1	874949721	BAQAKBKTQQPCAJ-CYBMUJFWSA-N	303.387	1.555	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@](C)(O)C2CC2)c(C)c1	873761118	QAGCXDLLJUPHTN-HNNXBMFYSA-N	307.419	1.782	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C	875496218	FKCKEDQVKPQDGR-OCCSQVGLSA-N	320.393	1.419	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCS[C@H](C)[C@@H]2C)c1	777588612	NFKBZGZLDOVRHX-QWHCGFSZSA-N	321.446	1.582	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)C(C)(C)C)c1ccccc1OC	775075375	HTVWQHIASLRMSL-CYBMUJFWSA-N	321.421	1.929	50	20	DDGD	
COc1ccc(-c2cc(C(=O)NNC(=O)CC3CC3)no2)cc1	880141238	OIKQRCZTUPFPJD-UHFFFAOYSA-N	315.329	1.911	50	20	DDGD	
C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)NNC(=O)C1CCOCC1	883493560	NVWRIWVOFAWRCZ-DGCLKSJQSA-N	311.426	1.958	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc([N+](=O)[O-])c1C	771892649	FDMMOKSETIGJQE-VIFPVBQESA-N	323.305	1.006	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)NC1CCC(F)(F)CC1	883566465	XOSOFLOAQXVARW-UHFFFAOYSA-N	305.325	1.321	50	20	DDGD	
COC[C@H](C)C(C)=NNC(=O)Cc1nc2ccccc2n1C	777877741	AHUBUFQYGDYREX-NSHDSACASA-N	302.378	1.890	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc2c1N(C)C(=O)CO2	881264234	ZWNOJBQNTVMUQX-SECBINFHSA-N	320.349	1.241	50	20	DDGD	
O=S(=O)(CCCCl)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1	882210230	WGYCYCJAMAGTSV-RYUDHWBXSA-N	307.843	1.979	50	20	DDGD	
CCCNC(=O)C1CCN(S(=O)(=O)CCCCl)CC1	881774728	VPQKIPOVAKPYJX-UHFFFAOYSA-N	310.847	1.183	50	20	DDGD	
COC(=O)CCCCCS(=O)(=O)N1CC=C(C#N)CC1	788071672	ODLXPKQPCZVQHC-UHFFFAOYSA-N	300.380	1.205	50	20	DDGD	
C[C@@H](C(=O)NNc1ncncc1Cl)N1CCSCC1	781836131	JOGPBDQEWZFRKC-QMMMGPOBSA-N	301.803	1.010	50	20	DDGD	
O=C(Cc1nsc2ccccc12)NNC(=O)C1CCOCC1	883071457	BANWNZJNWJQIPB-UHFFFAOYSA-N	319.386	1.413	50	20	DDGD	
COC(=O)CCc1nnn(CCO[Si](C)(C)C(C)(C)C)n1	882213963	IPUFYHUFJQYMSU-UHFFFAOYSA-N	314.462	1.801	50	20	DDGD	
C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NNC(=O)C1CCOCC1	883493562	NVWRIWVOFAWRCZ-YPMHNXCESA-N	311.426	1.958	50	20	DDGD	
CC[C@]1(C(=O)NNc2ccc(C)c(C(=O)OC)c2)CCNC1=O	880078155	GEWRCWRBANGBAX-INIZCTEOSA-N	319.361	1.141	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@H](C)OC[C@H]1CCCO1	788181481	SOCWLVCNLGDXOR-CMPLNLGQSA-N	312.341	1.862	50	20	DDGD	
CO[C@@H](C(=O)NNc1nnc(-c2ccccn2)s1)C(C)C	788566937	WBVYKXXZHOBQCW-SNVBAGLBSA-N	307.379	1.714	50	20	DDGD	
COc1ccc(NNC(=O)c2cccnc2-n2cccn2)nc1	781515779	GVYNWRKYMYWBLQ-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(C)c(Br)c(Cl)c1	785950630	RXJCMCDFKFYBBR-UHFFFAOYSA-N	320.574	1.985	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1c(F)cc(C#N)cc1F	899996624	ONJGSMZOKHIWSP-UHFFFAOYSA-N	312.345	1.744	50	20	DDGD	
N#Cc1ccc(NNC(=O)CCCOC2CCOCC2)nc1	899661710	XAGNGGXNJXLRHX-UHFFFAOYSA-N	304.350	1.372	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2F)CO1	784131501	UCPMZHBYQYRDGV-SFYZADRCSA-N	300.717	1.665	50	20	DDGD	
CC[C@H](NS(=O)(=O)CBr)C1CCOCC1	782465162	ZISSBQGRJDLCLV-VIFPVBQESA-N	300.218	1.463	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc([C@@H]3CCCN3C)[nH]n2)n1	895556622	HMXQFOUZFKDWKM-ZDUSSCGKSA-N	315.381	1.340	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=S)NC(C)(C)C)C1	899999278	GNEUWXZOLMXHLW-WCBMZHEXSA-N	309.439	1.369	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)NC[C@H]1CCC=CO1	780748387	AVWGCZQYELYKPN-CYBMUJFWSA-N	323.780	1.906	50	20	DDGD	
CC[C@]1(C)CN(CC(=O)NNC(=O)c2cccc(C)c2)CCO1	785493332	REENJOJGKRFBAH-QGZVFWFLSA-N	319.405	1.257	50	20	DDGD	
O=C(CCCCN1CCCC1)NNc1nc2ccccn2n1	791242718	LVHFOUXFRINIGB-UHFFFAOYSA-N	302.382	1.439	50	20	DDGD	
CSSCCNC(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O	790881461	DTWBPNQLPIJKSD-RKDXNWHRSA-N	314.498	1.461	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1cc(F)c(F)cc1F	792375030	COFDSPKRNURGSV-UHFFFAOYSA-N	324.262	1.889	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(C)(C)Cc1nc2ccccc2[nH]1	798831187	COGSLRJOTIVSQN-UHFFFAOYSA-N	302.378	1.935	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41)c1ccccn1	792760712	CQMONAIOOXPJQY-NYNCCYJMSA-N	309.369	1.237	50	20	DDGD	
CN(C)Cc1cnc(/C=C(\C#N)C(=O)N=c2cc[nH]cc2)s1	794702008	MJKJUHBFRIWODA-YRNVUSSQSA-N	313.386	1.567	50	20	DDGD	
N#Cc1cccc(-c2cc(C(=O)NN=c3cc[nH]cc3)on2)c1	790015514	IZOLIEMKVNWZQE-UHFFFAOYSA-N	305.297	1.787	50	20	DDGD	
CC(C)n1cnc(C(=O)NNC(=O)CCc2ccccc2)c1	798943894	VKSFWLJFVQVIBY-UHFFFAOYSA-N	300.362	1.858	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)[C@@H]1CC12CCC2	795160607	FQSFYWMEDIGICD-NSHDSACASA-N	323.418	1.570	50	20	DDGD	
Cn1c(=NNC(=O)NOCC(F)F)sc2ccccc21	793169100	RYWJKEMMUHPQER-UHFFFAOYSA-N	302.306	1.551	50	20	DDGD	
COc1ccc(NNC(=O)CC2OCCCO2)c([N+](=O)[O-])c1	793686106	HHQNMCMQKRHHNA-UHFFFAOYSA-N	311.294	1.200	50	20	DDGD	
C=C[C@@H](NNC(=O)[C@H](C)Oc1cccc(C)c1C)C(=O)OC	799975657	MMCLEQXVKJEAJD-QWHCGFSZSA-N	306.362	1.419	50	20	DDGD	
COc1cccc2c1CCC2=NNC(=O)N1CCN(C)CC1	790173472	HEIOWAJVQBZVAY-UHFFFAOYSA-N	302.378	1.303	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CCc1cn(C)nc1C	1319938230	AHMZQKBQMSDQEH-UHFFFAOYSA-N	316.361	1.591	50	20	DDGD	
O=C(CSc1nc2ccccc2[nH]1)NNC(=O)NC1CC1	1319617076	FUXOOLACODVXRQ-UHFFFAOYSA-N	305.363	1.148	50	20	DDGD	
CC(C)[C@@H](C#N)C=NNC(=O)C1CCN(c2ncccn2)CC1	1319496586	OYKGOLGMMIMXQX-AWEZNQCLSA-N	314.393	1.591	50	20	DDGD	
CCCc1nc(C(=O)NNC(=O)c2ccc(OC)cc2)co1	1325392386	SYLMMZSDOMPQGI-UHFFFAOYSA-N	303.318	1.711	50	20	DDGD	
COc1ccc(F)c2[nH]c(C(=O)NNC(=S)NC(C)C)cc12	1321072047	UGTYWLYNFSZAKM-UHFFFAOYSA-N	324.381	1.833	50	20	DDGD	
Cc1cccc2c1CC[C@@H]2NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	1329243434	FXKIRVYDLFDQLC-ZLDLUXBVSA-N	317.389	1.738	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccn1)C1(O)CCSCC1	1325260806	FXRBZWRBTUYJFT-UHFFFAOYSA-N	321.324	1.802	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(C)n(C2CC2)c1C	1320665731	DFRUCPYTRIAVAC-NSHDSACASA-N	321.377	1.543	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNc1nnc(-c2ccccn2)s1	1337188826	IJLKCAKSVXSUJN-MWLCHTKSSA-N	319.390	1.858	50	20	DDGD	
C[C@]1(CNC(=O)C[C@H]2C=CS(=O)(=O)C2)C[C@H]1Br	1331204654	YISSOSFBGFKXKO-FXPVBKGRSA-N	322.224	1.225	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(Cl)c1	1337111110	LOWPKJGPLCPUOK-UHFFFAOYSA-N	321.764	1.538	50	20	DDGD	
C[C@@H](CC(=O)OC(C)(C)C)NC(=O)NNc1ncccc1F	1258234627	CXWPBHMERBQCPF-VIFPVBQESA-N	312.345	1.967	50	20	DDGD	
COc1c[nH]c(C(=O)NC[C@]2(C)C[C@@H]2Br)cc1=O	1347123189	PDYZFOYEWNNOGW-JQWIXIFHSA-N	315.167	1.287	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)cc1	1602128277	QXFPMLMHEQKKFK-UPJWGTAASA-N	305.334	1.260	50	20	DDGD	
O=C(O)C[C@H](CNC(=O)NNc1cc(Cl)ccn1)C1CC1	1608666200	GDMVDCXJOBWNKJ-SECBINFHSA-N	312.757	1.862	50	20	DDGD	
O=C(O)[C@@H](CNS(=O)(=O)CCl)Cc1cccc(F)c1	1601653443	NWYZZEWZQFDUCA-SECBINFHSA-N	309.746	1.185	50	20	DDGD	
C#CCCCC(=O)NN=Cc1ccccc1O[C@@H](C)C(=O)O	1602701212	BPOIBLLHCRAJJI-LBPRGKRZSA-N	302.330	1.792	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cc(C(F)F)ncn2)c1	1608936533	ZMJFRVJLWKUNBV-UHFFFAOYSA-N	308.244	1.869	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cc(C(=O)O)sc2C)n[nH]1	1600095613	OMJXDJWWZMISPI-UHFFFAOYSA-N	323.334	1.253	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cccc3c2OCO3)c1	1608936371	OFGSYKKBHSFQMN-UHFFFAOYSA-N	300.270	1.870	50	20	DDGD	
C[C@@H](CC(F)(F)F)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1609108765	HRIOQBPUMIFQLV-ZETCQYMHSA-N	314.271	1.898	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCC1C[C@@H]2CC[C@H](C1)N2	1549882267	AQVHPEHENZFLGV-AGUYFDCRSA-N	324.856	1.999	50	20	DDGD	
O=C(CCC1CCCCC1)NNC(=O)c1cc(C(=O)O)ccn1	1610654408	ABUGVXQWJGCAQI-UHFFFAOYSA-N	319.361	1.901	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)NN=C1CCC(O)CC1	1549321263	SXDMQDVGUOPKIM-RGPPAHDHSA-N	320.393	1.295	50	20	DDGD	
CC1(C)CC2(CO1)CC(=NNC(=O)[C@H]1CN3CCC[C@@H]3CO1)C2	1550695282	CJEIIZMWBHOBPK-LJNCCCJHSA-N	321.421	1.301	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@@H]2NCCC2(C)C)c1	1578420267	DFKQEGBTAXMOTR-ZDUSSCGKSA-N	319.409	1.611	50	20	DDGD	
COc1ccc(Br)c(NNC(=O)[C@@H](C)[C@H](C)N)c1	1579186052	UVMJWNUJDOXHJG-YUMQZZPRSA-N	316.199	1.884	50	20	DDGD	
CC[C@H](C)Oc1ccc(C(=O)NNC(=O)[C@H]2CCCNC2)cc1	1577003761	NZRQMEWDQYRVEY-JSGCOSHPSA-N	319.405	1.625	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)[C@@H](C)C(=O)O)cc2C1	1589364879	BTCATKYPJRJRGI-JGVFFNPUSA-N	310.375	1.355	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)/C=C\c1ccc(C(=O)O)o1)C1CC1	1589121381	KEVVVHDHUDBXQT-TVSKSKRASA-N	323.374	1.285	50	20	DDGD	
CC[C@H](C)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl	1847558447	LLADALVRQWLHEV-CYDGBPFRSA-N	316.829	1.224	50	20	DDGD	
O=C(/C=C\[C@H]1CCCO1)NNc1cccc(-c2nn[nH]n2)c1	1592795253	POIVBGCCZVJKOK-ZHRWSRJISA-N	300.322	1.045	50	20	DDGD	
O=C(CCc1ccco1)NNC(=O)Cc1ccccc1C(=O)O	1594690387	PCRPEPQZJRKMMT-UHFFFAOYSA-N	316.313	1.301	50	20	DDGD	
COc1ccccc1NNC(=O)[C@H]1CO[C@@H](CCC(=O)O)C1	1594145951	GSEBHJXADLDSLC-MNOVXSKESA-N	308.334	1.408	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1ccc(CC(=O)O)cc1	1598877148	RVZXKWKPKSRARJ-UHFFFAOYSA-N	323.349	1.235	50	20	DDGD	
O=C(NN=C1CCc2ccc(-c3nn[nH]n3)cc21)c1ccoc1	1593155407	MEOBEEDCOVHYIH-UHFFFAOYSA-N	308.301	1.540	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1ccncc1F	1599375891	DSZPZBUNUOSDKZ-UHFFFAOYSA-N	305.265	1.684	50	20	DDGD	
C[C@@H]1CC[C@@H](NC(=O)NNc2ccc(F)c(C(=O)O)c2)CN1	1594315381	WUHYXAGPENAOQJ-PSASIEDQSA-N	310.329	1.291	50	20	DDGD	
CCCCOC(=O)/C(C#N)=C\c1nc(-c2nn[nH]n2)cs1	1590606483	ZLOKHXZZMLYNSB-YVMONPNESA-N	304.335	1.573	50	20	DDGD	
C/C=C(/C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Cl)CCO2	1783079149	YCDQIMSHFUOWQU-QOVPIXFFSA-N	318.776	1.317	50	20	DDGD	
C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Cl)[C@H]2C1	1787449062	GNEPUCYYIOQHEQ-ZPFDUUQYSA-N	318.776	1.077	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccncc2)cnn1-c1ccccc1	12456508	SNMNPQCSWQYLNY-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)CNc1ccc(C)cc1C	161747342	ONZFZDQSARCGIQ-CYBMUJFWSA-N	307.394	1.678	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2sccc2OC(F)F)[nH]n1	151166529	UZOHNLRPPLWHEV-UHFFFAOYSA-N	316.289	1.456	50	20	DDGD	
CCc1ccc([C@H](C)CC(=O)NNC(=O)C(=O)NC(C)C)cc1	155089359	GDQLVVKVULWDTM-GFCCVEGCSA-N	319.405	1.415	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H](C(C)C)N2CCCC2=O)c1	157109808	PCANNGFMERPXFT-HNNXBMFYSA-N	323.368	1.924	50	20	DDGD	
Cc1cccc(C)c1NC(=O)C(=O)NNC(=O)c1ccc[nH]1	157196049	MCUQTCFQBFNUKH-UHFFFAOYSA-N	300.318	1.031	50	20	DDGD	
COc1cc(F)cc(NNC(=O)Cn2ccc([N+](=O)[O-])n2)c1	157815574	OJERFUFYRQEOAQ-UHFFFAOYSA-N	309.257	1.082	50	20	DDGD	
COc1ccnc(NNC(=O)C[C@H](O)c2cccc(F)c2)n1	154226130	MTYQUJNKKJJMOT-NSHDSACASA-N	306.297	1.191	50	20	DDGD	
COc1c(F)ccc(F)c1C(=O)NNC(=O)Cc1ccncc1	154730023	QXORLMQWIYJCMG-UHFFFAOYSA-N	321.283	1.372	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Cc1c[nH]c2cc(F)ccc12	159176238	DYQZXNIDZGEZMH-UHFFFAOYSA-N	314.320	1.649	50	20	DDGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CCO[C@@H](CF)C1	841553499	FKIQVGAHDPBXTA-LBPRGKRZSA-N	321.801	1.827	50	20	DDGD	
CCNC(=O)CN(C)S(=O)(=O)c1ccc(CCCl)cc1	37842835	KYEWZVAPILENLN-UHFFFAOYSA-N	318.826	1.225	50	20	DDGD	
COCCOC1CCN(CCI)CC1	190898518	VYYLODSEPASULZ-UHFFFAOYSA-N	313.179	1.549	50	20	DDGD	
CN(C)c1ccc(C(=O)NNc2nc(-c3ccncc3)no2)cc1	102185699	YVCXASCOPVPODI-UHFFFAOYSA-N	324.344	1.955	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)Nc1ccccn1	104776012	DQNOSOMIHLBZOE-UHFFFAOYSA-N	309.329	1.889	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2c[nH]c3ccccc23)n1	174474442	DGYWBSDQGMKKNF-UHFFFAOYSA-N	311.345	1.961	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@H](C)N(C)C2CC2)s1	105270225	UAZHLZOENNVRAU-SECBINFHSA-N	310.423	1.483	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Cc1csc(-c2cccs2)n1	113423929	CVQFQNYSFWAHCI-UHFFFAOYSA-N	324.431	1.123	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccccn2)[nH]c2c1C(=O)CCC2	21001206	MGCNSOBVODRCDJ-UHFFFAOYSA-N	312.329	1.312	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCOc2cccc(Cl)c2)cn1	117678671	JRJXKSKWYIQFQL-UHFFFAOYSA-N	322.752	1.304	50	20	DDGD	
O=C(CCOc1cccc(F)c1)NNC(=O)NCc1ccco1	65176224	COQAYLRJIRDZQK-UHFFFAOYSA-N	321.308	1.718	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN([C@@H](C)c2cccnc2)CC1	178966868	RVMSQBKIVSAFKD-BXWAGETQSA-N	314.389	1.731	50	20	DDGD	
O=C(NNc1cccc(F)c1)c1cccnc1N1CCOCC1	178920809	WSRRXXJKPVVZNK-UHFFFAOYSA-N	316.336	1.814	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCc1csc2ccccc12	171781532	UFDNBVQAVIWASN-UHFFFAOYSA-N	321.402	1.811	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)COC(C)C	63628375	YNXXVHOGSBRDIY-UHFFFAOYSA-N	310.350	1.037	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@@H]1CC=CCC1	172484633	VBVAPDSHFORKAE-CYBMUJFWSA-N	303.362	1.677	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CC2(Cl)Cl)nc1	179800007	GORGXYMMFVQIDS-ZETCQYMHSA-N	304.133	1.505	50	20	DDGD	
CCCCOc1ncccc1CNC(=O)NNc1cccnn1	172454606	MQVWATKFPSIRDW-UHFFFAOYSA-N	316.365	1.877	50	20	DDGD	
COCCOc1ccccc1C(=O)NNC(=O)OC(C)(C)C	64705947	PRLOMQFWNROGJK-UHFFFAOYSA-N	310.350	1.881	50	20	DDGD	
Cc1nc2ncnn2c(C)c1CCC(=O)NNc1ccccn1	181215328	AZRTWELEQXEVSF-UHFFFAOYSA-N	311.349	1.212	50	20	DDGD	
CC(C)Oc1ccc(NC(=O)NNC(=O)Cc2cc[nH]n2)cc1	184072904	RCLIEXAWUVFESN-UHFFFAOYSA-N	317.349	1.592	50	20	DDGD	
C[C@@H](C(=O)NNc1ncc(Cl)cc1Cl)S(C)(=O)=O	186953349	RSYAUBLSKDBZOL-YFKPBYRVSA-N	312.178	1.265	50	20	DDGD	
CCc1nc(NC(=O)NNC(=O)Cc2ccncc2)sc1C	186270161	HRMAJJAYINWIIN-UHFFFAOYSA-N	319.390	1.804	50	20	DDGD	
CC(C)C[C@H](C(=O)NNc1ccncc1)N1CCCCC1=O	180525580	AEVNNZOBOCECCN-CQSZACIVSA-N	304.394	1.952	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cccc3[nH]c(=O)oc23)c1	125122291	CUMJHJXGIKPFKM-UHFFFAOYSA-N	322.280	1.068	50	20	DDGD	
CCC(CC)N1C[C@@H](C(=O)NNc2ncc(F)cn2)CC1=O	122824997	BCCLIJROWIMAQP-VIFPVBQESA-N	309.345	1.096	50	20	DDGD	
CC(C)OCCC(=O)NNc1nnc(-c2ccccn2)s1	188214653	KOJRSNXHYIBLSN-UHFFFAOYSA-N	307.379	1.858	50	20	DDGD	
CCn1nc(C)c(NC(=O)NNC(=O)Cc2cccnc2)c1C	183653132	YEORSPHGTYNUBG-UHFFFAOYSA-N	316.365	1.310	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1n[nH]c2c1CCCCC2	188149100	AMILMEBTJGYVGS-UHFFFAOYSA-N	312.337	1.102	50	20	DDGD	
CN(C)c1ccc(CNC(=O)NNc2cccnn2)cc1F	77575324	AQFUUOGDZQDLDD-UHFFFAOYSA-N	304.329	1.508	50	20	DDGD	
O=S(=O)(CCCCCl)Nc1cnn(CC(F)F)c1	187579605	NTZDXABKOJPURQ-UHFFFAOYSA-N	301.746	1.909	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Nc1ccncc1C	183448658	FOAIQJSICGTNTA-UHFFFAOYSA-N	314.345	1.794	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)c1cccc2nn[nH]c12	187849822	FBDUGXDZXLUDSN-UHFFFAOYSA-N	321.300	1.765	50	20	DDGD	
CCn1c(NNC(=O)c2cccc(N)c2)nc2ccccc2c1=O	195281406	FBPGZZCDVDLFJH-UHFFFAOYSA-N	323.356	1.756	50	20	DDGD	
CC[C@H](C)n1ncc(C(=O)NNC(=O)C(C)(C)O)c1C1CC1	190059472	RWUQAVOPGUPOKB-VIFPVBQESA-N	308.382	1.263	50	20	DDGD	
CN(C)C(=O)NNC(=O)Cc1cc(F)ccc1Br	137431409	OCHWCZZHNJMKBC-UHFFFAOYSA-N	318.146	1.433	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNC(=O)c1ccc(Cl)cc1F	83232429	AKKVPMCNYLOJDE-VIFPVBQESA-N	317.748	1.848	50	20	DDGD	
CSC1(CNC(=O)NNC(=O)c2ccc(C#N)cc2)CC1	195151763	RYFOWLPDUNRNST-UHFFFAOYSA-N	304.375	1.398	50	20	DDGD	
CC1(C)CCC[C@H]1NCC(=O)NNC(=O)c1ccc(F)cc1	191843327	FYLXJXUJARDQPV-CYBMUJFWSA-N	307.369	1.755	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NOCc1ccccc1	83171334	CXMONSGMTMENEJ-UHFFFAOYSA-N	300.318	1.086	50	20	DDGD	
C[C@H](Oc1cccc(F)c1)C(=O)NNC(=O)c1ccncc1	193128240	LMIPVYUCZBSGKQ-JTQLQIEISA-N	303.293	1.449	50	20	DDGD	
C[C@H](C(=O)NNc1ccc([N+](=O)[O-])cc1)N(C)CC(F)(F)F	193631003	CZEGZUKANVLBBF-MRVPVSSYSA-N	320.271	1.921	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)C(=O)NNC(=O)C1CC=CC1	93176284	KMANMKQOOSFEOK-UHFFFAOYSA-N	321.764	1.070	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H]1CCCCO1	269422528	WJWMUMPXWDWIPO-LBPRGKRZSA-N	309.391	1.582	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)c1ccn(C)c1	268545258	AMVBFLGQAHMHQE-UHFFFAOYSA-N	317.345	1.264	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNC(=O)c1ccc2ccccc2n1	268124062	CLVJQFJYFHWEPI-JTQLQIEISA-N	315.329	1.195	50	20	DDGD	
O=C(NCCCO[C@@H]1CCOC1)NNc1ccc(Cl)nc1	268203166	YKWNDHKXJSAZPN-LLVKDONJSA-N	314.773	1.557	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)C2CCC2)Cc2ccccc2C(=O)O1	264776558	PFPHDGPVOWTGPA-MRXNPFEDSA-N	302.330	1.106	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1c(C)c2ccccc2oc1=O	271437429	RDRURLNEPFIQBW-UHFFFAOYSA-N	303.318	1.408	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc2ccc(OC)cc2nc1C	271261920	IUMMGSQJFDOXJO-UHFFFAOYSA-N	316.361	1.858	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)[C@@H]1CCCOC1	270630445	GKBAIZBQLDOHKL-LLVKDONJSA-N	324.402	1.361	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(N2CCOC2=O)cc1	273505659	RTTNNBGZMVEVMP-JTQLQIEISA-N	320.349	1.842	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1nnc(-c2ccco2)s1	273503799	RHUOYZWIAQFOTF-ZETCQYMHSA-N	309.351	1.997	50	20	DDGD	
O=C(NN=c1nc(-c2ccccc2)[nH]o1)[C@H]1C[C@]12CCOC2	368106038	ABKMPNITYPWGML-ABAIWWIYSA-N	300.318	1.028	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2cccc(OC)n2)C1	272538028	OMKSEUIAWDISQC-GHMZBOCLSA-N	307.350	1.513	50	20	DDGD	
CCCc1cnc(NC(=O)C(=O)NNc2ncccc2C)s1	276999878	ICGUDIRTRYTBLY-UHFFFAOYSA-N	319.390	1.881	50	20	DDGD	
CCCCc1nnc(NC(=O)NN(C)C(=O)NCC)s1	274401536	KIZIHSWVSZLXIC-UHFFFAOYSA-N	300.388	1.579	50	20	DDGD	
Cn1cc(NC(=O)[C@H](Br)C(C)(C)C)cc1C(N)=O	274329606	APXUVOOYIUEMSH-VIFPVBQESA-N	316.199	1.872	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)n1	279757381	DSBUZZXRKJZJDX-AVGNSLFASA-N	304.394	1.412	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCO[C@H](C(C)C)C2)o1	271599244	YEIXVDFLMQVMHK-AAEUAGOBSA-N	309.366	1.736	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCc1cnc2n1CCCC2	377320517	CKCAYVILNMAWTH-UHFFFAOYSA-N	309.370	1.458	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H]([C@@H]2CCOC2)C1)c1ccccc1	370999872	SWSIOCSGDGTGGA-UONOGXRCSA-N	303.362	1.399	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)COCc1ccnn1C	283914921	LGDQBINGRIEGKW-UHFFFAOYSA-N	321.289	1.459	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCN3CCC[C@@H]3C2)o1	375960086	HZYKKXGHCMLZTQ-VXGBXAGGSA-N	306.366	1.159	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)N[C@@H]1CCC[C@@H]2OCC[C@H]21	372808913	VHTSLOTUOKRVOA-SUHUHFCYSA-N	319.361	1.294	50	20	DDGD	
COc1nccc(NC(=O)NNc2nccnc2C(C)C)n1	801727688	XCLHUSRKCKULOW-UHFFFAOYSA-N	303.326	1.547	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)N=c2cc[nH]cc2)c1	802031911	MQSYPFKVRVJMFA-LBPRGKRZSA-N	314.345	1.432	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2CCC2(C)C)cc1OC	804891982	KLBSQDWMENJVED-CYBMUJFWSA-N	321.377	1.836	50	20	DDGD	
Cc1nnc2n1C[C@H](C(=O)NNC(=O)Nc1ccccc1)CC2	801986844	IZPDUQGRVHZJSD-LLVKDONJSA-N	314.349	1.002	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2ncoc2C2CC2)c1	292765349	SRFUPKQKRHFIAO-UHFFFAOYSA-N	315.329	1.700	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)cc1)NNc1cccc(F)n1	804769781	NPVHLRFFLPTCKM-UHFFFAOYSA-N	306.272	1.233	50	20	DDGD	
CN1N=C(C(=O)NNc2cc(C(F)(F)F)ccn2)CCC1=O	295272973	GYQHAADLIZPQDG-UHFFFAOYSA-N	315.255	1.152	50	20	DDGD	
Cn1nnc2c(C(=O)NNc3cnnc4ccccc34)ccnc21	801622257	YMLPOZATSMDLIT-UHFFFAOYSA-N	320.316	1.063	50	20	DDGD	
CCc1oc(C=NNC(=O)c2ccccn2)cc1C(=O)OC	800804347	XRDVMRNNCOOAKD-UHFFFAOYSA-N	301.302	1.788	50	20	DDGD	
O=C(O)C1CCC(=NNC(=O)[C@@H]2COc3ccccc3O2)CC1	814700684	AULLVEKWIQDMRZ-SBNLOKMTSA-N	318.329	1.573	50	20	DDGD	
NC(=O)c1cccc(NC(=O)NNc2cccc(Cl)n2)c1	813833621	MSEXBCMZAFPDTB-UHFFFAOYSA-N	305.725	1.983	50	20	DDGD	
Cn1ncc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2)n1	814703218	BMOSNBZVEOJEDN-UHFFFAOYSA-N	315.377	1.642	50	20	DDGD	
CO[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2ccc(C)cc2O)C1	814406572	CDWFCMGMDPAGIQ-VXGBXAGGSA-N	306.362	1.667	50	20	DDGD	
C[C@@H]1C(=NNC(=O)CN(C)C)CCCN1Cc1ccccc1	814832092	DPWVPSIRCSORKJ-CQSZACIVSA-N	302.422	1.705	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1C(=O)NNc1ccccc1S(N)(=O)=O	819947337	ZYPQSMQPECJQMS-MNOVXSKESA-N	311.407	1.603	50	20	DDGD	
COc1ccc(CC(C)=NNC(=O)Cc2cc[nH]n2)cc1OC	814955349	CNHFZACQZDHHDF-UHFFFAOYSA-N	316.361	1.704	50	20	DDGD	
CC(C)c1ccc(C(=O)NNc2cc(Cl)nc(N)n2)nc1	810957331	XKKQEFINXRROMX-UHFFFAOYSA-N	306.757	1.988	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NCC1CC(F)(F)C1	813770296	AAFSKWABYJSTJJ-UHFFFAOYSA-N	311.332	1.913	50	20	DDGD	
O=C(CCc1ccccc1O)NN=Cc1cnn(CC(F)F)c1	814221573	FKNPFEAPRKIEPC-UHFFFAOYSA-N	322.315	1.937	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H](O)c1cccc(C(F)(F)F)c1	819118539	XCFCSSMZIHGVBH-LBPRGKRZSA-N	316.279	1.686	50	20	DDGD	
C[C@]1(C(=O)NNc2ccc(Cl)cc2Cl)CCNC1=O	821148655	VKPSSJJRBDTGHE-LBPRGKRZSA-N	302.161	1.963	50	20	DDGD	
Cc1ccccc1[C@@H]1C[C@H](C)N(CC(=O)NNC(=O)C(C)C)C1	827858848	GMGHSHOHZRGKFT-LSDHHAIUSA-N	317.433	1.976	50	20	DDGD	
CCN(CCO)NC(=O)C(F)(F)c1cc(Cl)ccc1OC	823377769	YAQARIBNYAUZKM-UHFFFAOYSA-N	322.739	1.786	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(OC)cc1OCC1CC1	495693593	QEGVSHLPKRTRLG-UHFFFAOYSA-N	308.334	1.827	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccccc1	825681515	KSDYYFOPXJRYDQ-IACUBPJLSA-N	321.377	1.130	50	20	DDGD	
CC(=NNC(=O)CC(C)(C)C)c1ccc(-n2cnnn2)cc1	728428666	GIPYMKHNMXCFMN-UHFFFAOYSA-N	300.366	1.939	50	20	DDGD	
C[C@@H]1CN(C)CC1=NNC(=O)CCCNC(=O)OC(C)(C)C	494122421	BCKXZCKVPOWIPZ-LLVKDONJSA-N	312.414	1.345	50	20	DDGD	
C[C@H](c1ccccc1)N(C(=O)c1cccc(B(O)O)c1)C1CC1	584990014	YYVQNUMLMQGMJK-CYBMUJFWSA-N	309.174	1.732	50	20	DDGD	
CCC(=NNC(=O)CNC(=O)OC(C)(C)C)c1cnn(C)c1	494725845	KSDDVJOXQDXNCA-UHFFFAOYSA-N	309.370	1.175	50	20	DDGD	
COc1cc(NC(=O)NN(C)C2CC2)ccc1N1CCCC1=O	824021699	LFJUDXHUNLGWSY-UHFFFAOYSA-N	318.377	1.953	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H]1CSC(c2ccccc2)=N1	909992761	YFPHSBZYPQJKOS-JTQLQIEISA-N	308.432	1.016	50	20	DDGD	
CCOC(=O)C[C@H](C)CNC(=O)[C@]1(C)C[C@@H]1Br	907160134	UNCXMSOUHWGECZ-HOTUBEGUSA-N	306.200	1.865	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)N[C@@H]2C[C@H]2C2CCC2)c1	823879255	FFHYJYZUUJTHSC-LSDHHAIUSA-N	316.405	1.885	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)C[C@@H]1CC[C@@H]2C[C@H]12	825756153	JUPVUAQRGMGBKO-RDBSUJKOSA-N	302.374	1.908	50	20	DDGD	
C[C@H]1CCCC[C@@H]1C(=O)OCC(=O)NNC(=O)c1ccccc1	820946522	NPCWKUJNXHLHCO-JSGCOSHPSA-N	318.373	1.817	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)CNC(=O)N1CCCC1	908001940	MONYAXSTNPHWLV-UHFFFAOYSA-N	304.394	1.806	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cccc(NC(=O)O)c2)n1	829101663	KNOQRQAODBWVFE-UHFFFAOYSA-N	317.305	1.640	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc(OCC(=O)O)cc1	736252352	WOKXWKCCPWAZAO-UHFFFAOYSA-N	308.334	1.347	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)/C=C/c1ccccc1Cl	496811841	QWNQBADRJDUOFJ-BQYQJAHWSA-N	304.755	1.843	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)cc1	905160953	FLVRFKKOUSTGIG-KCPJHIHWSA-N	318.398	1.460	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(C)cc(Br)n1	496938560	NTTTZYXXPPGPET-UHFFFAOYSA-N	317.143	1.935	50	20	DDGD	
OB(O)c1ccccc1CNC[C@H]1CCC[C@@H](C(F)(F)F)C1	585026914	UEBMHAYLMOIPIV-WCQYABFASA-N	315.144	1.825	50	20	DDGD	
CN(C)CCCCC(=O)NNc1nc2ccccc2c(=O)n1C	733365100	GHSAIVBXXMPVLK-UHFFFAOYSA-N	317.393	1.109	50	20	DDGD	
CCO[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)CC(F)(F)F	838728559	AZCWXPZAZPYLOR-RKDXNWHRSA-N	311.304	1.617	50	20	DDGD	
COC(=O)N1CCC(NC(=O)[C@]2(C)C[C@H]2Br)CC1	906404538	LWMDRCXMYQBXEO-BXKDBHETSA-N	319.199	1.507	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CC1CC(F)(F)C1	838264650	RSOCJPJLLQCYIG-SECBINFHSA-N	320.336	1.547	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1ccc(Cl)cc1OC	831472612	GOYACSFPZOYPDR-UHFFFAOYSA-N	308.743	1.240	50	20	DDGD	
CCCN(C)CC(=O)NNC(=O)c1ccc(Cl)cc1OC	730275250	ZRFVESAUWQHABJ-UHFFFAOYSA-N	313.785	1.451	50	20	DDGD	
CC(C)c1ccccc1NC(=S)NNC(=O)CCNC(=O)O	736522957	KSJZNBNFEMXGBJ-UHFFFAOYSA-N	324.406	1.785	50	20	DDGD	
COc1ccsc1C(=O)NNc1nc(-c2cccnc2)no1	730031028	BLCIHXWRTARLJJ-UHFFFAOYSA-N	317.330	1.959	50	20	DDGD	
CC(C)N(C[C@@H]1C[C@H]2C=C[C@H]1C2)C(=O)c1cccc(B(O)O)c1	584945773	LTZOTZGRIQTMOC-DZKIICNBSA-N	313.206	1.429	50	20	DDGD	
C[C@H](OCC(F)(F)F)c1nc(-c2ccc(B(O)O)cc2)no1	585051188	XCQKDKYVPNXNFK-ZETCQYMHSA-N	316.044	1.056	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cc2c(Cl)cncc2s1	907624667	CPWHMZFMDOFFFY-UHFFFAOYSA-N	313.766	1.482	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2C[C@@H]3CCCCN3C2=O)nc1	836692422	WGNJUBYWBACPKI-RYUDHWBXSA-N	303.366	1.170	50	20	DDGD	
CCOC(=O)[C@H](CCc1ccccc1)NNC(=O)c1ccc[nH]1	901532980	HTZYBFBPNYIVDZ-HNNXBMFYSA-N	315.373	1.814	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCSc3ccc(F)cc32)cc1	585015372	XXNSTAQDQQIIQE-HNNXBMFYSA-N	317.194	1.832	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C[C@@H](C)c1cnn(C)c1	839675416	XWLQGWXXXGNVGL-LLVKDONJSA-N	316.361	1.384	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NC1CCN(C2CCC2)CC1	836642424	VCTBWFJOSRMNFW-UHFFFAOYSA-N	310.442	1.770	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2)CC2(CCC2)O1	830722281	CUQTYJPAXMERCB-CYBMUJFWSA-N	317.389	1.091	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)C1CCCC1	914844236	QRLYGDBTHFVSSR-CYBMUJFWSA-N	321.421	1.505	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)c1cccc2ncccc12	739724275	PVYSLLZTFRNXAA-UHFFFAOYSA-N	310.313	1.860	50	20	DDGD	
C#CCOc1ccccc1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	831695270	RVSITYQQJJMXTA-VXGBXAGGSA-N	317.345	1.276	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1)C1CC1	732258756	HAIAJLNSPYIWOH-YNEHKIRRSA-N	311.426	1.069	50	20	DDGD	
CCO[C@H](CCNC(=O)c1cccc(B(O)O)c1)C1CCCC1	584957241	MWQQIWKHVVMLPW-MRXNPFEDSA-N	319.210	1.082	50	20	DDGD	
O=C(N[C@@H](Cc1ccccc1)C1CC1)c1ccc(B(O)O)cc1	584951610	XQSFTJWQVMRLFX-KRWDZBQOSA-N	309.174	1.118	50	20	DDGD	
COc1cccc(CCNC(=O)NNC(=O)C(C)(C)C)c1OC	918217489	DUPSDOGQUZLRBR-UHFFFAOYSA-N	323.393	1.623	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2C[C@@H]2C(=O)O)c(Cl)c1	832948386	JZWGCOAASYQIMY-SFYZADRCSA-N	311.725	1.522	50	20	DDGD	
Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NN)cc2)cc1	916039674	INQUZABFTCQYPP-UHFFFAOYSA-N	304.371	1.572	50	20	DDGD	
CC[C@@H]1CN(CC(=O)NNC(=O)c2ccc(C)cc2)C[C@@H](C)O1	732207893	BERSPMATGBYBSF-UKRRQHHQSA-N	319.405	1.255	50	20	DDGD	
O=C(NN=Cc1ccc(Br)cn1)[C@@H]1CCCCO1	834987982	CEMLCKLJEQPTLZ-NSHDSACASA-N	312.167	1.863	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1csc(Cc2ccccc2)n1	910171045	RFHAJPQFXYLBNN-LLVKDONJSA-N	305.403	1.691	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CN2CCCC2=O)c1Cl	913732147	JXGZKMNFJDJGPM-UHFFFAOYSA-N	315.782	1.093	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@]2(C)CCCCO2)n1	839704040	NARKGIPZCWEMQL-HNNXBMFYSA-N	307.398	1.725	50	20	DDGD	
CC(C)(C)c1ncc(NC(=O)NNC(=O)[C@@H]2CCCCO2)cn1	836340045	KNZGUAABAQHFIS-NSHDSACASA-N	321.381	1.496	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cnnn1-c1ccccc1Cl	748723903	BDEXDCUKOPPIJP-UHFFFAOYSA-N	322.756	1.275	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NN=Cc2cnc3cnccn23)c1	746371682	ZVUSEPSZCLOAKI-UHFFFAOYSA-N	323.356	1.875	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cn2cc(Cl)cc(Cl)c2n1	910150650	UXGFTQHNWDRLAS-SSDOTTSWSA-N	317.176	1.599	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)COc1ccc(Cl)c(Cl)c1	910172631	DNHYSBWEUVJQFV-QMMMGPOBSA-N	307.177	1.716	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H]1CCO[C@H](c2ccccc2)O1	847393788	HVDHZYKWKCWCNK-OCCSQVGLSA-N	307.350	1.231	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1nc2ccccc2n1C	842553417	FJHANXQYDCQYLJ-NEPJUHHUSA-N	300.362	1.839	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccc(Cl)c1)c1cnn(C)c1	749864951	FBXOBHSCHRRVSI-VIFPVBQESA-N	306.753	1.638	50	20	DDGD	
O=C(NNc1cccc2cnccc12)[C@H]1CCS(=O)(=O)C1	748767192	NTMYPAWRVDSAAR-NSHDSACASA-N	305.359	1.113	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1ccc(F)nc1F	844685147	VVTILVOCEXJQFQ-QMMMGPOBSA-N	300.265	1.082	50	20	DDGD	
CS[C@H](C(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1ccccc1	843650944	IWXWIHGWUWFFHQ-DRZSPHRISA-N	308.403	1.663	50	20	DDGD	
CC(C)Cn1nccc1C(=O)NNc1cc(Cl)nc(N)n1	843852822	XTCHVYMJQLHUFI-UHFFFAOYSA-N	309.761	1.322	50	20	DDGD	
CN(C)C(=O)NN=C1C(=O)Nc2cc(OC(F)(F)F)ccc21	745602742	WTDGXKJRAJQWMV-UHFFFAOYSA-N	316.239	1.513	50	20	DDGD	
O=C(NN=Cc1cnc2cnccn12)c1cc(Cl)ccc1O	746367638	ABHJBYFMRPDBIO-UHFFFAOYSA-N	315.720	1.852	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)NCc1ccon1	747591155	PDSLEEQUVRCYEJ-UHFFFAOYSA-N	324.340	1.901	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](Cc2ccccc2)[C@H]1C	746675032	AWRINWKUEGPFMV-YCPHGPKFSA-N	317.433	1.885	50	20	DDGD	
CC(C)(CC(=O)NNC(=O)CN1CCCC1=O)C1CCCCC1	913733020	SOJUMXOTAMVYIT-UHFFFAOYSA-N	323.437	1.753	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1ccc(C(=O)O)cc1Cl	842559420	CDSFWRUTMHMQGN-LDYMZIIASA-N	310.737	1.913	50	20	DDGD	
CC[C@H]1CO[C@H](CC)CN1[C@@H](C)C(=O)NNC(=O)CC(C)C	844384414	ATIUCAUPZSYFAQ-MELADBBJSA-N	313.442	1.458	50	20	DDGD	
O=C(NCc1cn2ccccc2n1)NNc1cncc(Cl)n1	915907433	NFXYGOPCHQWAAV-UHFFFAOYSA-N	317.740	1.604	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2cccc(O)c2O)cc1	916326812	RVSLBLWDKDMEII-UHFFFAOYSA-N	300.314	1.935	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CSc2ncccn2)c1	742447488	PBOZPFCKUMEDIK-UHFFFAOYSA-N	302.359	1.338	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cnc3c(cnn3C)c2)n1	748338824	JOLILKRIOILEEQ-UHFFFAOYSA-N	317.740	1.477	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1snc(Cl)c1Cl	846275776	JYUNFOAUBMRROH-CRCLSJGQSA-N	324.189	1.636	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C\c1ccc(OCCC(=O)O)cc1	915982471	DJBMGWYZTLBTSS-GHXNOFRVSA-N	308.297	1.707	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NC[C@@H]2CNC(=O)C2)cc1	840396327	NRRSZPJBWVKLOL-NSHDSACASA-N	304.394	1.746	50	20	DDGD	
C[C@H](N)CNC(=O)NNC(=O)Nc1ccc(Cl)cc1Cl	841988418	RCXNTKRPSBVDFP-LURJTMIESA-N	320.180	1.676	50	20	DDGD	
O=C(CSc1cccc[n+]1[O-])NNc1ccc([N+](=O)[O-])cc1	747986773	YCHWCUJGXKXFCR-UHFFFAOYSA-N	320.330	1.464	50	20	DDGD	
CC[C@H](O)[C@H](C)C(=O)NNc1ncc(Br)cn1	912059924	KNRKCBZJYXNZPS-XPUUQOCRSA-N	303.160	1.089	50	20	DDGD	
C[C@H](CNC(=O)NNc1ncccc1F)C(=O)OC(C)(C)C	848667433	IOKLEWUDMZMOMY-SECBINFHSA-N	312.345	1.825	50	20	DDGD	
Cc1ccc2cc(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)[nH]c2c1	843972671	HNDTXQKDHWWBHI-CMPLNLGQSA-N	301.346	1.662	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(C(C)=O)s2)n1	746633032	MSWYXKXAMOGSDP-UHFFFAOYSA-N	306.347	1.815	50	20	DDGD	
C[C@H](C(=O)NNc1cc(O)nc2ncccc12)C(F)(F)F	913992734	HEFYXUMMMHCYQL-ZCFIWIBFSA-N	300.240	1.977	50	20	DDGD	
Cc1[nH]nc(C(F)(F)F)c1C(=O)NNC(=O)c1ccc[nH]1	746581678	DVYOASQAABRBTD-UHFFFAOYSA-N	301.228	1.140	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H]2CCC[C@H](N)C2)cc1	841981496	DEECJJCPOIQGFP-KBPBESRZSA-N	304.394	1.463	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNc1ncc(Br)cn1	848321739	BXDFNRSKHDTDAU-IONNQARKSA-N	317.187	1.743	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1C[C@@H](OCC)C12CCCC2	745919132	AJBXUGLTJKPXMM-NWDGAFQWSA-N	313.398	1.091	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(-c2cnco2)cc1	843641889	DCHGKPIEBISMAS-ZWNOBZJWSA-N	315.329	1.528	50	20	DDGD	
O=C(NN=C1CCN(Cc2ccccc2)C1=O)c1ccc(O)cc1	743420677	MTDCYOWHLXDKQR-UHFFFAOYSA-N	323.352	1.911	50	20	DDGD	
CCc1c(C(=O)NNc2cccc([N+](=O)[O-])c2C)cnn1C	748671065	XMJWNHQBRSQUHC-UHFFFAOYSA-N	303.322	1.956	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cn2cc(Cl)ccc2n1	842557408	QJOZIBIYLBXQIL-CABZTGNLSA-N	306.753	1.863	50	20	DDGD	
CNC(=O)NN=Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1	920377933	QKSRURUYYVPOAJ-UHFFFAOYSA-N	302.294	1.258	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cncc(C(F)(F)F)c1	843658766	VNFBTQJVEWYFAO-XCBNKYQSSA-N	317.267	1.286	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2nc(C(F)(F)F)cs2)c[nH]1	755852036	CVZOIZAOABWDLP-UHFFFAOYSA-N	319.268	1.346	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2ccc(OC(F)F)cc2)co1	759972614	FRGCXVGZVDVQPG-UHFFFAOYSA-N	311.244	1.737	50	20	DDGD	
CN(C)C(=O)CCNC(=O)NNc1cc(F)cc(Cl)c1	853432455	YPQOOTMRBROXIA-UHFFFAOYSA-N	302.737	1.584	50	20	DDGD	
C=CCCSCCNC(=O)NNC(=O)c1cccc(F)n1	852487791	IVGKEARXPKVLMC-UHFFFAOYSA-N	312.370	1.474	50	20	DDGD	
CCCC[C@H](CN)NC(=O)NC[C@]1(C)C[C@@H]1Br	857103445	JEVWPEFKUUPOHJ-SCVCMEIPSA-N	306.248	1.977	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCCCS(C)(=O)=O	853722236	HVTAGCRIHLYBGI-UHFFFAOYSA-N	303.359	1.195	50	20	DDGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NC(CO)CO)c1C	755709554	VHOXUGYKCYPSNA-OVCLIPMQSA-N	319.405	1.281	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C	859302682	CGCQODZSKMTPAN-RMIALFOJSA-N	306.362	1.516	50	20	DDGD	
O=C(NNC(=S)NC(C1CC1)C1CC1)c1cccc(F)n1	853052203	MQMWHECCNOTYFV-UHFFFAOYSA-N	308.382	1.518	50	20	DDGD	
CCn1cc(C(=O)NNc2cccc(C(=O)OC)c2C)cn1	855627650	WETDRKXIULYAON-UHFFFAOYSA-N	302.334	1.755	50	20	DDGD	
CC(=O)Nc1cccc(NC(=S)NNC(=O)NCC2CC2)c1	920833346	CMWREJGYWTVBRV-UHFFFAOYSA-N	321.406	1.556	50	20	DDGD	
CN(C)CCOCCNC(=O)NC[C@@]1(C)C[C@@H]1Br	856886742	NNVJLTJPJFZRKQ-CMPLNLGQSA-N	322.247	1.037	50	20	DDGD	
O=C(NC[C@H]1CCN1Cc1ccccc1)NNC(=O)C1CCC1	852704212	VMXGFCNRKZWGAJ-OAHLLOKOSA-N	316.405	1.391	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@@H]1CCN(C(C)(C)C)C1	854314342	MHCYGCPDQPSOHG-SNVBAGLBSA-N	300.403	1.598	50	20	DDGD	
Cc1cc(C#N)cnc1C(=O)NNC(=O)OCC(F)(F)F	856019196	RHAOMEGPKZZVNQ-UHFFFAOYSA-N	302.212	1.195	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2c[nH]nc2C)cc1Cl	755403490	BPHTZVBRWCQKTK-UHFFFAOYSA-N	323.740	1.847	50	20	DDGD	
O=C(CCOCc1ccccc1)NNC(=O)OCC(F)(F)F	856024234	NEHVUPUIOPFEFU-UHFFFAOYSA-N	320.267	1.913	50	20	DDGD	
Cc1cc(F)c(C(=O)NNC(=O)Cn2nc(C)cc2C)c(F)c1	854231960	MDHMVHNWTBUKFD-UHFFFAOYSA-N	322.315	1.548	50	20	DDGD	
CC(=O)NC[C@@H]1CCCCN1S(=O)(=O)CCCCCl	859431287	UFLMGTPITRJMCN-LBPRGKRZSA-N	310.847	1.326	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)C1CN(C2CCCCC2)C1	857358672	FFKDICYVMMMBNK-UHFFFAOYSA-N	309.801	1.838	50	20	DDGD	
C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=NNC(=O)c1cc[nH]n1	853392957	XCWXYRUHNGNMDB-SNVBAGLBSA-N	321.381	1.772	50	20	DDGD	
CN1CCc2cc(C=NNC(=O)NCC(F)(F)F)ccc21	752727336	OPWLGIJNFAOUAV-UHFFFAOYSA-N	300.284	1.874	50	20	DDGD	
CCNc1nc(C(=O)NNC(=S)NCC2CCC2)cs1	855092647	MBAJPACTWIOOCT-UHFFFAOYSA-N	313.452	1.484	50	20	DDGD	
C[C@@]1(CNC(=O)NCc2ccc(C#N)cn2)C[C@H]1Br	856857500	CXLIRZUINFBGIA-YPMHNXCESA-N	323.194	1.926	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NN=c2cc[nH]c(C)c2)nc1C	862509839	VKBFXGFHOJCMFK-UHFFFAOYSA-N	314.345	1.449	50	20	DDGD	
COc1cc(C=NNC(=O)c2cn[nH]c2)c2c(c1)C[C@@H](C)O2	863154638	HLJZOJYIPMNWNH-SECBINFHSA-N	300.318	1.506	50	20	DDGD	
C[C@@H](NNC(=O)c1cccc(OCC(F)F)n1)C(F)(F)F	862317205	WONLIBMKCVIVNO-ZCFIWIBFSA-N	313.226	1.911	50	20	DDGD	
CCCOc1cc(C=NNC(=O)[C@H]2CCC(=O)N2)ccc1OC	863145040	FCHPKZUXKQOCED-GFCCVEGCSA-N	319.361	1.213	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(F)c(F)c1F)[C@@H]1CCC(=O)N1	860315568	KIPXHTJHHQBIKS-SVRRBLITSA-N	301.268	1.462	50	20	DDGD	
Cc1ccc([C@@H](C)[C@@H](O)C(=O)NNC(=O)C2CCCC2)cc1	764822486	QVRMMXOGXLPQME-IUODEOHRSA-N	304.390	1.797	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CCCCc1cnn[nH]1	768729170	KIBYNDNEGQRDGG-UHFFFAOYSA-N	317.349	1.447	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C	761887037	RTJRJQXGWIKNAJ-UHFFFAOYSA-N	321.742	1.276	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@@H]1CCCc2nn[nH]c21	863098774	DGIOBRSYEYCYLN-RXMQYKEDSA-N	313.230	1.043	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@@]1(C2CCCC2)CCNC1=O	863867153	SOZSTMIRGQJBQH-MRXNPFEDSA-N	309.410	1.267	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CCc2cccc(Cl)c2)n[nH]1	869013047	JWLKBPVTNXFWCO-UHFFFAOYSA-N	320.780	1.694	50	20	DDGD	
O=C(NN=Cc1nc2ccc(F)cc2s1)c1cnccn1	761780792	FHHRXPJAUCSVMT-UHFFFAOYSA-N	301.306	1.989	50	20	DDGD	
C[C@H](NNC(=O)c1cn(C)nc1-c1cccnc1)C(F)(F)F	862309674	SNRFKLAQFZBRDO-QMMMGPOBSA-N	313.283	1.667	50	20	DDGD	
CCCCNC(=O)NNC(=O)COc1ccc(F)c(F)c1	930717407	HGWORSGFAGZZLR-UHFFFAOYSA-N	301.293	1.474	50	20	DDGD	
Cc1nnc(NNC(=O)CCc2cncc3ccccc23)nc1O	765856219	PABQBJRNJOFCKA-UHFFFAOYSA-N	324.344	1.510	50	20	DDGD	
CC(=O)CCCCCCNC(=O)/C(C#N)=C/c1cnn(C)c1	862078066	RDEXZKCZELEJRH-OQLLNIDSSA-N	302.378	1.983	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2ccc(Cl)cc2Cl)N1	863145366	ACCYXFZTTHGRDL-JTQLQIEISA-N	300.145	1.722	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)Cc2nc(C3CC3)nn2C)c1	862480376	TZHFISUBPZRSGC-UHFFFAOYSA-N	319.390	1.066	50	20	DDGD	
O=C(NCCc1ccncc1)NNC(=O)c1cccc(Cl)c1	762674040	OTGCPGZDKQKSNM-UHFFFAOYSA-N	318.764	1.922	50	20	DDGD	
CCC(CC)n1nc(C(=O)NNC(=O)c2cn[nH]c2)cc1C	862471049	PCPQSMLYCRCHOF-UHFFFAOYSA-N	304.354	1.351	50	20	DDGD	
O=C(Nc1cccc(NC2CCCC2)c1)c1cccc(B(O)O)c1	869364168	UUARYRRVVBWFKA-UHFFFAOYSA-N	324.189	1.973	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	761862233	RNFAOZQFYXLRFH-UHFFFAOYSA-N	302.674	1.047	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ncc(Br)s1	765214735	PVKWRZFTMYXJLU-UHFFFAOYSA-N	318.196	1.857	50	20	DDGD	
Cc1nc2ccnn2c(C)c1C(=O)NNc1ncc(F)cn1	762098991	JDMJMRZPJGLYOJ-UHFFFAOYSA-N	301.285	1.032	50	20	DDGD	
COC1CC(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)C1	861570150	JIIGGUAMANRSQI-UHFFFAOYSA-N	306.366	1.330	50	20	DDGD	
CC(=O)N1CC[C@@](C)(C(=O)NNC(=O)c2cc(C)cs2)C1	862478810	RCEHVJBIBRAYAU-CQSZACIVSA-N	309.391	1.076	50	20	DDGD	
O=C(CCc1ccc2c(c1)CCO2)NNC(=O)[C@@H]1CCCCO1	1117763101	WOQQJHPGJUMCEZ-HNNXBMFYSA-N	318.373	1.271	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=CC1CCC(C)(C)CC1	764686743	LCDPAPWVOTZSMM-JTQLQIEISA-N	303.428	1.243	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)CCOC(C)(C)C	767904331	IHMVWEKIFNBBGJ-GFCCVEGCSA-N	301.431	1.315	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(Br)nc1	878959129	GFCLGIRJRRADQD-UHFFFAOYSA-N	303.160	1.459	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)[C@H](O)c1ccccc1	765177453	RTFYIGQHIPTJKZ-CQSZACIVSA-N	320.370	1.267	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNC(=O)NCC2CC2)cc1O	772423328	KTTYDHUWLREMJG-ALCCZGGFSA-N	305.334	1.154	50	20	DDGD	
C[C@H](CBr)COC(=O)C1(C(=O)NC2CC2)CC1	770364245	CBMQNSFESCRTMX-MRVPVSSYSA-N	304.184	1.619	50	20	DDGD	
O=C(NNC(=O)[C@]1(F)CCOC1)c1ccc2ccccc2n1	1117335767	YQORMOKUSQVDAE-HNNXBMFYSA-N	303.293	1.124	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)Nc1ccc(F)cn1	775731909	LLHVPOFAEMDDPR-UHFFFAOYSA-N	322.271	1.592	50	20	DDGD	
Cc1cc(C=NNC(=O)C2CCOCC2)ccc1-n1cncn1	1119362064	XOWTWBWUDPGUSP-UHFFFAOYSA-N	313.361	1.452	50	20	DDGD	
CC(C)S(=O)(=O)CC(=O)NNc1ccc2ccccc2n1	777465139	GLWOIMTUAOAYNJ-UHFFFAOYSA-N	307.375	1.501	50	20	DDGD	
COC(=O)c1ccnc(NC(=O)NNC(=O)C2CCCC2)c1	770681010	FQYMGJHMMWBRDK-UHFFFAOYSA-N	306.322	1.211	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc(O)n1	777275490	TVYPIJBMOVPFCF-UHFFFAOYSA-N	324.340	1.581	50	20	DDGD	
COc1ccc(CCNC(=O)NNC(=O)CC(C)C)cc1O	876392993	GQLRDMSGUIERGA-UHFFFAOYSA-N	309.366	1.320	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@@H]2CCCCN2C2CC2)cc[nH]1	875535816	YAJCIIMHADLBQI-HNNXBMFYSA-N	303.410	1.455	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc2cc[nH]c2c1	772011591	WGJDXNCPKDMFHM-VIFPVBQESA-N	303.318	1.271	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	776250317	UHBRBQQLFJUHHS-LLVKDONJSA-N	308.382	1.181	50	20	DDGD	
CC(C)(C(=O)NNC(=O)Cc1ccccc1F)c1cccnc1	778265860	JYJYEHGJVXQKDZ-UHFFFAOYSA-N	315.348	1.888	50	20	DDGD	
COc1ccc(Cl)cc1NC(=O)C(=O)NNc1ncccn1	773721214	NFWMNCVKIRUARO-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
Cc1nn(C)c(C)c1CC(=O)NNc1ccc(F)c([N+](=O)[O-])c1	771595356	NGDIIPYTKALXRX-UHFFFAOYSA-N	321.312	1.770	50	20	DDGD	
C=Cn1cc(C=NNC(=O)Cc2nc3ccccc3n2C)cn1	773028330	NYTUZXMRMKBDII-UHFFFAOYSA-N	308.345	1.563	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)Cc1nc2ncccn2n1	771713837	SQMIBMRILRRYEL-UHFFFAOYSA-N	300.297	1.258	50	20	DDGD	
O=C(NNC(=O)c1ccoc1Br)NC1CCCC1	772153222	UMOQSQWPKZOTNQ-UHFFFAOYSA-N	316.155	1.929	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2Cc3cnccc3NC2=O)C[C@H]1Br	1123978706	XMRSVYDWPLWBEZ-BREBYQMCSA-N	324.178	1.235	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCCc2c(O)cccc21	789754771	UDALROYLNPCIPK-GFCCVEGCSA-N	314.345	1.305	50	20	DDGD	
Cc1nn(C)c2sc(C(=O)NNC(=O)C3CCOCC3)cc12	883060208	BDIBVOHWCAZWPF-UHFFFAOYSA-N	322.390	1.131	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1ccc(C(=O)O)cc1Cl	783844041	AVFOFLOOBVTGGS-UHFFFAOYSA-N	306.709	1.834	50	20	DDGD	
CCc1ccc([C@@H](O)CNS(=O)(=O)CCCCl)cc1	882188254	LPRVOHBPBGWOIY-ZDUSSCGKSA-N	305.827	1.831	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNC(=O)C1CCC1)c1ccnn1C	788110586	NCVANEXOHSEAKN-LBPRGKRZSA-N	307.398	1.290	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2ccc3ncccc3c2)ncn1	783944628	NIDASWVFFZDULX-UHFFFAOYSA-N	322.328	1.415	50	20	DDGD	
CN(CCc1ccccc1)CC(=O)NNC(=O)CC1CCCC1	896034370	XWCACIVOZFTYNE-UHFFFAOYSA-N	317.433	1.889	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2[C@H](C)[C@H](OC)C2(C)C)n1	780042122	PDDZUQSPSUKASC-BIMULSAOSA-N	308.382	1.776	50	20	DDGD	
CC(C)(C#N)CNC(=O)NNC(=O)COc1ccc(F)cc1	781953680	KGJYOGFKEIDDAY-UHFFFAOYSA-N	308.313	1.085	50	20	DDGD	
Cn1c(Cl)cnc1CNS(=O)(=O)CCCCCl	393352529	PWDPTEAHRMXNLW-UHFFFAOYSA-N	300.211	1.512	50	20	DDGD	
CSSCCNC(=O)N[C@H](C)c1nnnn1C1CC1	790829534	IDVZSKFYIMMXHR-SSDOTTSWSA-N	302.429	1.379	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCCN1CCOC[C@H]1C	799578957	AJSBZQLOBAKLBS-CQSZACIVSA-N	320.437	1.904	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cnc3c(F)cccc3c2)n[nH]1	794394402	XCXCTDACESAQQK-UHFFFAOYSA-N	313.292	1.480	50	20	DDGD	
CS/C=C/C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	794733098	ZKVDFOJWSDKXSS-CMDGGOBGSA-N	315.420	1.257	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NN=C2C(=O)OC[C@@H]2C)cc1	794881851	ZIGFTASJNTVZPN-WDEREUQCSA-N	320.345	1.518	50	20	DDGD	
O=C(CCc1cnccn1)NNC(=O)Cc1ccc(Cl)cc1	792822266	JICFRCGKPSWWBZ-UHFFFAOYSA-N	318.764	1.453	50	20	DDGD	
COc1ccccc1CONC(=O)NNC(=O)CC(F)(F)F	798534463	NXTGYBLQKCAJDD-UHFFFAOYSA-N	321.255	1.410	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccn(CC(F)F)n2)c1	790016017	SQDREDUAKIWGLM-UHFFFAOYSA-N	324.287	1.692	50	20	DDGD	
Cc1cccnc1NNC(=O)Cn1c(C)nc2ccccc2c1=O	791212687	ULGUQEUXDFGHRD-UHFFFAOYSA-N	323.356	1.552	50	20	DDGD	
Cn1ccc(CCC(=O)NNC(=O)c2c[nH]c3ccccc23)n1	794211298	MUIQXAVLONVUSE-UHFFFAOYSA-N	311.345	1.295	50	20	DDGD	
O=C(CCOCC(F)(F)C(F)(F)F)NNC(=O)C1CCC1	790623673	QSCMSRJLCIVNCE-UHFFFAOYSA-N	318.242	1.538	50	20	DDGD	
N#Cc1ccc(Cl)c(C(=O)NNC(=O)Cc2ccncc2)c1	796906620	KYLPHPWTJNZIBB-UHFFFAOYSA-N	314.732	1.610	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cn(CC)nc1C(F)(F)F	797841994	CYHDQVZFMFJOKV-UHFFFAOYSA-N	307.276	1.276	50	20	DDGD	
C=C(CBr)CN(C)CCCN1CCN(C)CC1	791484296	RWQFZYCFJAPULW-UHFFFAOYSA-N	304.276	1.507	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)CNc1ccc(C)cc1C	794907534	XQKGCYWJUKUMTM-WBMJQRKESA-N	321.421	1.924	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cnc(C(C)C)[nH]2)cc1	1319262404	YQQGVLWJAWYPQE-UHFFFAOYSA-N	316.361	1.682	50	20	DDGD	
CCCC[C@@H](COC)NC(=O)NNC(=O)c1ccc(OC)cc1	1318983575	PBKBDNYCJICOPR-ZDUSSCGKSA-N	323.393	1.844	50	20	DDGD	
COc1ccc(C=NNC(=O)C(C)(C)C)cc1OCC(N)=O	1317903305	DODJIVZKIJNGPE-UHFFFAOYSA-N	307.350	1.056	50	20	DDGD	
O=C(NN=Cc1c[nH]c2ncccc12)c1n[nH]c2c1CCCC2	1322059556	WOIPXPXTMYIZIB-UHFFFAOYSA-N	308.345	1.929	50	20	DDGD	
O=C(CCc1nc(-c2ccccc2)no1)NN=c1cc[nH]cc1	1320789816	PNUBJGHYTPMKBM-UHFFFAOYSA-N	309.329	1.629	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1n[nH]c2c1CCCC2)C1CCCC1	1322324417	BBYNJRJZVUOQQQ-JTQLQIEISA-N	304.394	1.876	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)C1CCS(=O)(=O)CC1	1327887775	PPZPSXVEYWDDER-UHFFFAOYSA-N	303.771	1.003	50	20	DDGD	
O=C(NNC(=O)N(CCC(F)(F)F)CC1CC1)c1cn[nH]c1	1328731109	GSMHECJVMWJYEV-UHFFFAOYSA-N	319.287	1.429	50	20	DDGD	
CN(CCCCc1ccccc1)C(=O)NNC(=O)c1cn[nH]c1	1331312650	KEDPXJJLQUWNMA-UHFFFAOYSA-N	315.377	1.719	50	20	DDGD	
CCc1n[nH]cc1C(=O)NNC(=O)c1cncn1-c1ccccc1	1337587937	JQHMTEUPNKRKQV-UHFFFAOYSA-N	324.344	1.233	50	20	DDGD	
COc1cc(C=NNC(=O)C2CCOCC2)c(Cl)cc1O	1333199364	MVOVQHDOQXVDLW-UHFFFAOYSA-N	312.753	1.931	50	20	DDGD	
CC(C)(N)CCNC(=O)NNC(=O)c1ccc(Cl)cc1F	1331904754	PQAXYTLWJFZBKD-UHFFFAOYSA-N	316.764	1.551	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1cccc2c1[C@H](C)CC2(C)C	1338028887	YIMRKNCGRNLQAK-SECBINFHSA-N	319.361	1.797	50	20	DDGD	
C[C@H](O)Cc1cn([C@]2(Cl)C[C@H]2CCBr)nn1	1336895230	HHMWBMIVHMVTPG-QXFUBDJGSA-N	308.607	1.898	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1ccc(Br)s1	1339878852	FLSVOBKASFZWRI-UHFFFAOYSA-N	305.153	1.524	50	20	DDGD	
CCCN1CCCC[C@@H]1C(=O)NNc1nc2ccccn2n1	1338931694	QBYOQXUGVCDESN-GFCCVEGCSA-N	302.382	1.437	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1	1521624067	WEMXCRWAXBNJGC-ZPVXYNJMSA-N	319.405	1.296	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)Nc1cc(C(=O)O)ccn1	1601561511	MCZDOSGGDFEZSO-UHFFFAOYSA-N	307.697	1.977	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NC[C@@]1(C(=O)O)CCOC1	1601045826	QEINCXAWTPBFBX-FGLWMGOFSA-N	318.304	1.340	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@@H]1CCc2nc[nH]c2C1	1602230636	NQUXIKRGWRHQCW-MRVPVSSYSA-N	318.308	1.495	50	20	DDGD	
Cc1c(NNC(=O)NCCCOC(F)F)cccc1C(=O)O	1607552128	HFLXPWMURRGLGA-UHFFFAOYSA-N	317.292	1.949	50	20	DDGD	
O=C(C[C@H]1CCCOC1)NNc1ccc(-c2nn[nH]n2)cc1	1606503480	GOAAKCVQXNXXOV-SNVBAGLBSA-N	302.338	1.127	50	20	DDGD	
O=C(COc1cccc(Cl)c1)NNc1ccc(C(=O)O)cn1	1610671150	SGMXHKCLEDSIOQ-UHFFFAOYSA-N	321.720	1.955	50	20	DDGD	
O=C(O)CCCN(Cc1ccccc1)S(=O)(=O)CCl	1610769452	XNMFVNAJPXTSHR-UHFFFAOYSA-N	305.783	1.880	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)CC2CC(N)C2)cc1	1575273087	SLDLCGZFARZXHD-UHFFFAOYSA-N	303.406	1.873	50	20	DDGD	
CC(C)Oc1cccc(CC(=O)NNC(=O)CCCCCN)c1	1575813228	PLPQFSKAYMVVGJ-UHFFFAOYSA-N	321.421	1.683	50	20	DDGD	
CC(=NNC(=O)c1ccc(C)o1)c1ccccc1-c1nn[nH]n1	1588776527	QNKFNOABVVSXIV-UHFFFAOYSA-N	310.317	1.922	50	20	DDGD	
CC[C@H](C)[C@H](N)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1842892027	SSDZEFUBXHYJEJ-GARJFASQSA-N	319.808	1.098	50	20	DDGD	
O=C(CCSc1ccccc1Cl)NNC(=O)[C@H]1CCN1	1580541407	RZHIREHRRKVGOP-SNVBAGLBSA-N	313.810	1.332	50	20	DDGD	
C=CCC(=O)N1CCCC12CN(C(=O)[C@H](F)Br)C2	1846377570	TYUNINSQXOSHSM-JTQLQIEISA-N	319.174	1.456	50	20	DDGD	
O=C(NNC(=O)[C@@H](C(=O)O)C1CCCC1)c1cccc(Cl)c1	1594779321	PZOUZQYKGADGKZ-LBPRGKRZSA-N	324.764	1.992	50	20	DDGD	
O=C(O)CC[C@H]1C[C@H](C(=O)NNc2cc(Cl)ccn2)CO1	1595004864	LDYOJQXHMOTZHQ-WPRPVWTQSA-N	313.741	1.448	50	20	DDGD	
O=C(NN=c1cc[nH]c2cccnc12)Nc1ccccc1C(=O)O	1594781821	IYDGYCNCPHUXGO-UHFFFAOYSA-N	323.312	1.899	50	20	DDGD	
O=C(O)CCc1ccc(C=NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)o1	1776090919	IWEZMNJGLUYQOC-RAIGVLPGSA-N	306.318	1.314	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)c1ccc(C(=O)O)cc1	1776100533	MOXSCGKGUWBWKF-UHFFFAOYSA-N	301.306	1.069	50	20	DDGD	
Cn1nc(C(=O)O)cc1C=NNC(=O)Nc1cc(F)cc(F)c1	1776080001	YJOXTBSEPJESBO-UHFFFAOYSA-N	323.259	1.552	50	20	DDGD	
C[C@@H](Oc1ccc(C=NNC(=O)c2cccnn2)cc1)C(=O)O	1776103456	KATPVTJARWMTCU-SNVBAGLBSA-N	314.301	1.092	50	20	DDGD	
C[C@H](Oc1ccc(C=NNC(=O)c2nccs2)cc1)C(=O)O	1776109625	RWXHLHCLKLTYKI-VIFPVBQESA-N	319.342	1.759	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1C[C@H](C(=O)O)C2(CCC2)C1	1776293897	GSVRDCSKLPPENZ-SNVBAGLBSA-N	323.842	1.768	50	20	DDGD	
O=C(NN[C@@H](C(=O)N1CCCCC1)c1ccccc1)C1CC1	15472209	KXEOHEMESUPBCX-OAHLLOKOSA-N	301.390	1.771	50	20	DDGD	
CSCC[C@H](NC(N)=O)C(=O)NNc1cc(C)ccc1F	150832924	QVUDVPVAGGGDBQ-JTQLQIEISA-N	314.386	1.367	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)Cn1cc([N+](=O)[O-])ccc1=O	160933055	KVDSGRHAVVGRSP-UHFFFAOYSA-N	320.280	1.347	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNc2nccc(OC)n2)cc1	151942946	DICIZZIFWJVTEP-NSHDSACASA-N	316.361	1.816	50	20	DDGD	
CCN(CC)C(=O)[C@H](NNC(=O)c1ccc[nH]1)c1ccccc1	153841917	FSVAIZWTDXITRG-OAHLLOKOSA-N	314.389	1.859	50	20	DDGD	
CN1CC[C@@]2(CCN(S(=O)(=O)CC(C)(C)CCl)C2)C1	867299703	BWNGRNNMPGMGET-CYBMUJFWSA-N	308.875	1.609	50	20	DDGD	
Cc1nc(CNS(=O)(=O)c2ccc(CCl)cc2)n[nH]1	392372072	VYYFXBSEHLEDHV-UHFFFAOYSA-N	300.771	1.330	50	20	DDGD	
COCCOCCC(=O)N(C)NC(=O)OCc1ccccc1	862287361	RLWYQRJCZLNKEK-UHFFFAOYSA-N	310.350	1.339	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccccn1	6404833	HPALMGWXKHHKCM-SNVBAGLBSA-N	303.293	1.449	50	20	DDGD	
COc1cc(C(=O)NNC(=O)Cn2nc(C)cc2C)ccc1C	7961709	ABVHOGDZNZLQPK-UHFFFAOYSA-N	316.361	1.278	50	20	DDGD	
N#CC1(C(=O)NNC(=O)c2ccc(Cl)nc2)CCCCC1	57431997	KELPLHNOWKYULA-UHFFFAOYSA-N	306.753	1.970	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H]1CCCN(Cc2ccccc2)C1	57139176	XJPXDADLTKCDHT-AWEZNQCLSA-N	305.378	1.676	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCCN(c2ccccc2)CC1	109150115	UGYQOCGTKPPZOU-UHFFFAOYSA-N	318.421	1.986	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cccc(C#N)c1)Cc1ccccc1	103436859	WSEUCWBTYOODOG-UHFFFAOYSA-N	322.368	1.451	50	20	DDGD	
CC[C@@H](C)NC(=O)CCNC(=O)NNc1nc(C)cc(C)n1	56917390	AEWHBSLEMNFBEW-SECBINFHSA-N	308.386	1.024	50	20	DDGD	
CCC[C@H](C)C(=O)NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1	112911859	DDZOAOGCQWHRHW-VIFPVBQESA-N	320.397	1.754	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cccc(Cl)n2)c1	103402981	VTUZVUUMXFEYEF-UHFFFAOYSA-N	300.705	1.681	50	20	DDGD	
CC(C)(Oc1ccc(Cl)cc1)C(=O)NNC(=O)NC1CC1	64900669	HJULXEJWJWDFTN-UHFFFAOYSA-N	311.769	1.990	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)NCc2ccoc2)cc1	175891994	XOCSKMQWJJWCJL-UHFFFAOYSA-N	317.349	1.882	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@H]1CCCN1Cc1ccc(F)cc1	176142854	ZJGDCZNMBLWHJH-CYBMUJFWSA-N	308.357	1.093	50	20	DDGD	
Cc1nccc(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)n1	112824658	TWMPASYGZJEPMI-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
C[C@@H](NC(=O)c1[nH]nc2ccccc12)C(=O)NNc1ccccc1	111550254	DMCHQHGCNIPUIP-LLVKDONJSA-N	323.356	1.825	50	20	DDGD	
Cn1nnc2cc(C(=O)NNc3cccc([N+](=O)[O-])c3)ccc21	178866755	RWMWZRFWKHDVHC-UHFFFAOYSA-N	312.289	1.633	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2ccc(-n3cccn3)nc2)n1	179756530	ZTLIQUBWTQYPAA-UHFFFAOYSA-N	324.348	1.823	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCOC1)c1cc(-c2ccccc2)n[nH]1	171289633	SFSJEZZIRBYYBC-LBPRGKRZSA-N	314.345	1.264	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCCOc1ccccc1	177296430	AAVPTMWGDVTQEZ-UHFFFAOYSA-N	314.345	1.034	50	20	DDGD	
CSC[C@@H](C)C(=O)NNC(=O)CNc1ccc(C)cc1C	66928667	ROZGBJLKFNHLCR-GFCCVEGCSA-N	309.435	1.862	50	20	DDGD	
CN1C(=O)C[C@@H](C(=O)NNc2ccncc2)[C@@H]1c1cccnc1	180475716	WONZBVOQSYVOIF-HIFRSBDPSA-N	311.345	1.139	50	20	DDGD	
Cc1cc(F)cc(C(=O)NNC(=O)c2ccc[nH]2)c1[N+](=O)[O-]	121407593	PAICDGKOZXBFEX-UHFFFAOYSA-N	306.253	1.445	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)Cc2cccc3ccccc23)n[nH]1	121050479	CLOCQHODJMKJLP-UHFFFAOYSA-N	322.368	1.804	50	20	DDGD	
O=C(CN1CCCC2(CC2)C1)NNC(=O)c1ccc(F)cc1	186990158	JEJKJQXXJJGQRS-UHFFFAOYSA-N	305.353	1.463	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccccn2)cc1NS(C)(=O)=O	181191106	UMIDJJNTMVZTOC-UHFFFAOYSA-N	320.374	1.518	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1ccncc1[N+](=O)[O-]	183586740	LUKOLFJJDISVHM-UHFFFAOYSA-N	301.262	1.456	50	20	DDGD	
CC[C@@H]1C[C@@H](C(=O)NNC(=O)c2ccc(Cl)nc2)CCO1	183563419	DHJUGJSTODQILT-GXSJLCMTSA-N	311.769	1.701	50	20	DDGD	
CCCc1csc(NC(=O)NNC(=O)Cc2cc[nH]n2)n1	184023903	VJISNKOSDCYIOS-UHFFFAOYSA-N	308.367	1.214	50	20	DDGD	
O=C(NCCCn1cccn1)NNc1cccc([N+](=O)[O-])c1	45712756	BTMPWHMKKKLPDC-UHFFFAOYSA-N	304.310	1.508	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccc([N+](=O)[O-])cc1F	191909442	VSSSDEUVIVITSD-UHFFFAOYSA-N	316.252	1.534	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H]1COc2ccccc21)C1CC1	83675656	DPYPYSFCCHEQMV-CABZTGNLSA-N	305.403	1.456	50	20	DDGD	
O=C(NCc1ccc(N2CCCC2)nc1)NNc1ncccn1	45844933	MCRBJTFKNCIIDB-UHFFFAOYSA-N	313.365	1.298	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1ncnc2ccsc12	132886810	OHMQEZBDWBSZCC-SECBINFHSA-N	310.379	1.576	50	20	DDGD	
O=C(NNC(=O)c1ccc2ccccc2n1)Nc1ccncn1	194116344	NVAOSLPDZJRGRF-UHFFFAOYSA-N	308.301	1.491	50	20	DDGD	
CC(=O)N1CC(C(=O)NNc2ccc(OC(F)(F)F)cc2)C1	191932240	KIDDCXGZLIRWDD-UHFFFAOYSA-N	317.267	1.507	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@H]1CC1(C)C	132116131	RRWCSAPOZJVCIC-LLVKDONJSA-N	306.362	1.658	50	20	DDGD	
C[C@@H](NC(=O)C(C)(C)C)C(=O)NNc1cc(C#N)cc(Cl)n1	93544910	CGRZSLVYYIODBA-MRVPVSSYSA-N	323.784	1.601	50	20	DDGD	
CC(C)(N)C(=O)NNc1c(F)cc(F)cc1Br	236804094	YFJQBSAWLJJDRZ-UHFFFAOYSA-N	308.126	1.908	50	20	DDGD	
C[C@H]1[C@H](C)CCC[C@H]1NC(=O)NNC(=O)Cc1cccnc1	245835162	VDDLKEADWSNQEC-MBNYWOFBSA-N	304.394	1.779	50	20	DDGD	
O=C(/C=C\c1ccc(Cl)cc1)NNC(=O)C(=O)N1CCCC1	255620657	PCKFGPPTGKUVLB-YVMONPNESA-N	321.764	1.123	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCO2)c1ccc(O)cc1O	254736675	PENZRCZVRKAPOA-UHFFFAOYSA-N	314.297	1.981	50	20	DDGD	
CC(C)OCC(=O)NNC(=O)c1cccc(Br)c1	266395924	WTLKNRQEOMMEFL-UHFFFAOYSA-N	315.167	1.635	50	20	DDGD	
CCC[C@@H](NNC(=O)COc1ccccc1C#N)C(=O)OCC	266490680	SMEAUQBTVNPVKO-CYBMUJFWSA-N	319.361	1.290	50	20	DDGD	
CC(C)CC[C@H](C)NC(=O)NNc1nc(O)c2cnn(C)c2n1	269465972	WIMUEJUWFLSGIG-VIFPVBQESA-N	321.385	1.520	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H](C)c1ccccc1	267189821	OHYFNLOSLDMENX-RYUDHWBXSA-N	309.366	1.130	50	20	DDGD	
Cc1c(NNC(=O)C(=O)N2CCC(C)CC2)cccc1[N+](=O)[O-]	278502044	WVMBNPGBUQGXNS-UHFFFAOYSA-N	320.349	1.605	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](C)[C@@H]1CCCCO1	271996052	CKIXXVUKWUCHTN-OCCSQVGLSA-N	305.378	1.897	50	20	DDGD	
Cc1ccccc1[C@@H](CC(=O)N1CC=C(C#N)CC1)NC(N)=O	270897163	DRHUDSKRFDDARB-OAHLLOKOSA-N	312.373	1.777	50	20	DDGD	
CC1CCN(C(=O)C(=O)NNc2ccc3ccccc3n2)CC1	278374165	INYXYMFCVWAXIF-UHFFFAOYSA-N	312.373	1.936	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])c(OC)c1	271357538	MPDWVXSZKLAVDO-GWHHBTOMSA-N	319.317	1.661	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)[C@H]1CCO[C@@H]1C(C)(C)C)c1cccnc1	277789289	JTZBBASESAXSKG-XBFCOCLRSA-N	319.405	1.784	50	20	DDGD	
CCOC(=O)C1CCN(C(=O)[C@H](C)N2CC=C(C#N)CC2)CC1	272685223	SPSZIYILJGVIGI-ZDUSSCGKSA-N	319.405	1.332	50	20	DDGD	
CCCOc1ccc(C(=O)NN[C@@H](CC)C(=O)OC)cc1OC	279961819	YJNZGIMSGDPIPO-LBPRGKRZSA-N	324.377	1.670	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(CC(=O)N2CC=C(C#N)CC2)C1	271135685	RACPOPINSYWDMQ-UHFFFAOYSA-N	305.378	1.926	50	20	DDGD	
CC[C@@H](C(=O)NNc1nccn(C)c1=O)c1ccc(F)cc1	274133396	WCWPFWUVZNGYNO-GFCCVEGCSA-N	304.325	1.556	50	20	DDGD	
Cc1c([C@H]2OCC[C@@H]2C(=O)NNC(=O)OC(C)(C)C)cnn1C	275399338	RODMKEAKSZVQTH-JQWIXIFHSA-N	324.381	1.362	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2nc(-c3cccnc3)no2)CCO1	271902987	WZQDBUMVOVCAHE-NXEZZACHSA-N	303.322	1.390	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cnn(CC(F)(F)F)c1	273554466	GNZMHNMSZSOPAM-UHFFFAOYSA-N	307.276	1.644	50	20	DDGD	
COC[C@H]1CN(C(=O)NNC(=O)c2ccccc2C)C[C@H](C)O1	275867815	JOYVYHRCLMPWFL-QWHCGFSZSA-N	321.377	1.085	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNc2cccc(S(C)(=O)=O)c2)O1	272061471	WTPUHICHZFDNOR-AAEUAGOBSA-N	312.391	1.491	50	20	DDGD	
Cn1ncc2c1C[C@@H](C(=O)NNc1ccccc1[N+](=O)[O-])CC2	281036776	CULZEYLGOJTQQJ-JTQLQIEISA-N	315.333	1.577	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)CCCCCl)CC[S@](=O)C1	374005464	HQECWFSCLLFVHY-QFYYESIMSA-N	301.861	1.036	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H]1CCO[C@@H]1c1cccnc1	286694156	CFWCVICPVSEMFF-GXTWGEPZSA-N	306.366	1.288	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	288321242	DGWJWPDGCJSWJU-UHFFFAOYSA-N	322.365	1.418	50	20	DDGD	
CC(C)c1ncc(NC(=O)C(=O)NN(C)c2ccccc2)cn1	281053586	PBWABKZKQXEWGP-UHFFFAOYSA-N	313.361	1.706	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H](C)CNC(=O)OC(C)(C)C)n1	285487615	OTIRVJAXROBSEA-VIFPVBQESA-N	323.397	1.697	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CN1CCSC1=O	288399055	AREDQBKKXTYGMH-UHFFFAOYSA-N	310.335	1.515	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H]1CCCN(Cc2ccccc2)C1	294219618	QQOFPJHJHIIMFJ-INIZCTEOSA-N	315.417	1.846	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CCN1CCOCC1	805374888	SKOZYQJWMQBTEK-UHFFFAOYSA-N	308.338	1.069	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1c([N+](=O)[O-])cnn1C	805385727	SQTQAPHLXSCZQT-UHFFFAOYSA-N	320.265	1.302	50	20	DDGD	
Cn1cncc1CC(=O)NNc1ccccc1Br	807118253	HOVWQHPXLFCCSM-UHFFFAOYSA-N	309.167	1.868	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ncc(C2CCOCC2)s1	297358062	RFRLUZYNUDQSJN-UHFFFAOYSA-N	324.406	1.990	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)c1ccc2c(c1)OCCO2)C1CC1	290929800	IXWHHTATIFIVMY-MRXNPFEDSA-N	320.345	1.034	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1ccc(OC(F)F)nc1	801954418	CKYLBGVXAKQGML-UHFFFAOYSA-N	314.227	1.761	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cc2cccc(F)c2o1	802035950	LZZPDPIHMPKTPK-UHFFFAOYSA-N	314.276	1.855	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2cccc(F)c2F)ccn1	807017824	OSJPUVTYCLJASL-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
COCc1ccc(CNC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	296626315	QQTOGWHDWCQGCB-AWEZNQCLSA-N	321.377	1.233	50	20	DDGD	
O=C(C[C@H]1CCCO1)NNC(=O)Nc1ccc2c(c1)OCO2	802102747	CZNZFCCLVSQPJB-SNVBAGLBSA-N	307.306	1.137	50	20	DDGD	
CCc1nc(NC(=O)C(=O)NNc2cccc(F)n2)sc1C	807391356	OCQFOEKSPYPATC-UHFFFAOYSA-N	323.353	1.630	50	20	DDGD	
CNc1ccc(C(=O)NNc2ccc(C(=O)OC)cn2)cn1	802894476	XSFBLTWRKFJQGQ-UHFFFAOYSA-N	301.306	1.062	50	20	DDGD	
CCC1(CC)[C@H](NC(=O)NNc2ccncn2)[C@@H](C)[C@H]1OC	296784021	WAQWVDKOXSKFTR-RAIGVLPGSA-N	307.398	1.942	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCCCS1	807372080	ZTLCOBKTSQOQIX-SNVBAGLBSA-N	304.412	1.209	50	20	DDGD	
Cc1ccc(NC(=O)NNc2ncccc2F)cc1C(N)=O	806253508	DJDKBFXOCFEJMX-UHFFFAOYSA-N	303.297	1.777	50	20	DDGD	
COc1cccc2c(C(=O)NNc3cc(C)nc(C)n3)n[nH]c12	809686937	QPKPMMXCUGIKAJ-UHFFFAOYSA-N	312.333	1.735	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)OCCO[C@H](C)C#N)cc(C#N)n1C	801821957	ZDZKZLXGOCKFAZ-JBARUQGQSA-N	312.329	1.584	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCc2c(O)cccc21)[C@@H]1CCCO1	294696318	QPHUCMFOMXQPOP-JSGCOSHPSA-N	304.346	1.139	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cccc2c1CCCC2	295250479	KBIRKSAIRUMZJK-UHFFFAOYSA-N	309.369	1.964	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)Nc1cc2ccccn2n1	806652609	ZAKOQZIIMDOMRK-UHFFFAOYSA-N	313.292	1.940	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1ccc(OC(F)F)nc1	801957405	ZMDBEQYNHKMXMC-UHFFFAOYSA-N	311.248	1.478	50	20	DDGD	
CCOCC(=O)NN=C(C)c1ccc(-n2c(C)cnc2O)cc1	814841993	NOCQRDHCYGJYTB-UHFFFAOYSA-N	316.361	1.763	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)C(=O)Nc1ccc(C)cc1	811635516	AADRNQKVWIXIQB-CYBMUJFWSA-N	316.361	1.094	50	20	DDGD	
CC(C)(C)c1ncc(NC(=O)NNc2ncncc2F)cn1	814624088	KQLKQLYVDMGVAM-UHFFFAOYSA-N	305.317	1.852	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)Nc1ccc(N(C)C)cc1)OC	811968413	HWEVPOAYVXZBTO-ZDUSSCGKSA-N	323.397	1.513	50	20	DDGD	
O=C(Cc1ccncc1)NN=C1CC(C(=O)O)(c2ccccc2)C1	814862301	IFDKTNCZRFVDNX-UHFFFAOYSA-N	323.352	1.913	50	20	DDGD	
O=C(CO)NN=C1CC2(CCCCC2)Oc2cc(O)ccc21	814896083	IFCASZRZCBXFHM-UHFFFAOYSA-N	304.346	1.690	50	20	DDGD	
CN1CC[C@](O)(CNCc2ccc(OCCCCl)cc2)C1	811490958	WRLRUVWSKDEMQU-INIZCTEOSA-N	312.841	1.851	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	812534943	QSXFOYXQMIRKKB-NXEZZACHSA-N	311.338	1.965	50	20	DDGD	
CC(=NNC(=O)C(=O)NCc1ccc(Cl)cc1)c1cc[nH]n1	814892095	JSULTUJCLNJCBS-UHFFFAOYSA-N	319.752	1.220	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C(C)Cn1cccn1	814722683	KXRBBZTUCCEZQJ-UHFFFAOYSA-N	316.361	1.853	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNc1ncncc1F)c1ccnn1C	814323890	MHPRMQZLJMEZPG-SNVBAGLBSA-N	321.360	1.415	50	20	DDGD	
Cn1c(=NNC(=O)Cc2cncc(O)c2)sc2ccccc21	816844918	VGCCKDAFAPTZAS-UHFFFAOYSA-N	314.370	1.515	50	20	DDGD	
CC(CC1(C(=O)O)CCC1)=NNC(=O)Cn1nc(C)cc1C	814752632	WBLMRTQKDLXXIG-UHFFFAOYSA-N	306.366	1.637	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N[C@H](CO)C2CCCC2)c1	811873777	AJXKBIRUYRLVQU-CQSZACIVSA-N	316.361	1.053	50	20	DDGD	
Cc1nnc(NNC(=O)c2cnc(-c3ccco3)s2)nc1O	728962336	OYVDTKIJHYNZAK-UHFFFAOYSA-N	318.318	1.359	50	20	DDGD	
CC[C@@H](C)CCNC(=O)NNC(=O)COc1ccc(C#N)cc1	820873513	QXBLXSSENLFTCF-GFCCVEGCSA-N	318.377	1.704	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc(N2CCCC2)nc1	727103216	OIJYSWNBTHLTGH-UHFFFAOYSA-N	303.366	1.036	50	20	DDGD	
COc1ccnc(NNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)n1	490919687	PVOLDZSMWAVIFI-DAXSKMNVSA-N	315.289	1.550	50	20	DDGD	
Cc1cc(/C=C(/C#N)C(=O)NCCC(N)=O)c(C)n1CC(C)C	490664591	SEVPOVMUUHWMIV-NVNXTCNLSA-N	316.405	1.660	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)OC(C)(C)C)c1ccncn1	497180976	DWTXSVWXFAFVDS-UHFFFAOYSA-N	321.381	1.622	50	20	DDGD	
CO[C@H]1c2ccccc2C[C@H]1NC(=O)/C(C#N)=C/c1cnn(C)c1	491052568	VWNXKDZEJDBVCX-CTLLAADFSA-N	322.368	1.756	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2ccccc2O)cn1	726893724	QBHTUKMYUJIEJQ-UHFFFAOYSA-N	318.358	1.427	50	20	DDGD	
C=C(CBr)CN1CCN(C(C)(C)COC)CC1	823456897	UDWFIQSJRJHDBS-UHFFFAOYSA-N	305.260	1.980	50	20	DDGD	
O=C(CS(=O)(=O)C1CC1)NNc1ncc(Cl)cc1Cl	829748550	RLJIDDJZOGIXEB-UHFFFAOYSA-N	324.189	1.409	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)CCc1ccccc1F	827297622	FJNNPIRZFFAXDD-YPMHNXCESA-N	323.368	1.466	50	20	DDGD	
O=C(CSc1ccccc1[N+](=O)[O-])NNC(=O)c1ccc[nH]1	726630944	VYQWCGSHJJDXJN-UHFFFAOYSA-N	320.330	1.476	50	20	DDGD	
N#C[C@H]1CC[C@@H](NC(=O)NNC(=O)c2ccc3ccccc3n2)C1	823886841	XEGGOXZUQPUNSV-WCQYABFASA-N	323.356	1.871	50	20	DDGD	
CCCOCc1ccccc1CNCc1ccccc1B(O)O	585017436	XLVXZIXVWXKMBV-UHFFFAOYSA-N	313.206	1.583	50	20	DDGD	
Cc1ccc(OCCCCNCc2ccccc2B(O)O)cc1	585016960	GAOPONFQDWZMHA-UHFFFAOYSA-N	313.206	1.624	50	20	DDGD	
C#CCCCC(=O)NN[C@@H](C(=O)OC)c1ccc(Cl)cc1	901643551	IOCPKTJUMFDSOE-CQSZACIVSA-N	308.765	1.978	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(-c2cccc(Cl)c2)on1	823846905	OJLLMXFSEFLQPK-UHFFFAOYSA-N	309.753	1.954	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1	490976991	SBPIGZWPFGLIKI-HECSCLNYSA-N	315.373	1.636	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H]1CCN(CCCOCC)C[C@@H]1C	491159683	JFGSGUHQNLTJIO-CHQMYWLCSA-N	323.437	1.684	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@H]1CC12CCCC2	494640895	MPMGUQZVZZHAJY-SNVBAGLBSA-N	311.382	1.239	50	20	DDGD	
Cc1cccc(NNC(=O)c2ccc(-c3nn[nH]n3)s2)c1	822327844	KPZWVRLYLNNBMF-UHFFFAOYSA-N	300.347	1.994	50	20	DDGD	
C[C@H]1CC(=NNC(=O)CN2CCCC2=O)c2c(O)ccc(F)c21	730553270	VYCYHAURPVSBHU-VIFPVBQESA-N	319.336	1.481	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2ccsc2)cn1	730842886	UKQNOKQLRWFBNW-UHFFFAOYSA-N	308.388	1.783	50	20	DDGD	
COCC[C@](C)(O)CNC(=O)/C(C#N)=C/c1ccc(O)cc1	491013902	VNMYIFFWJFDMLE-WQMJKPAKSA-N	304.346	1.203	50	20	DDGD	
Cc1cc(/C=C(\C#N)C(=O)NCC(N)=O)c(C)n1CC(C)C	490638967	QJTJBOBXXBBZIX-MKMNVTDBSA-N	302.378	1.269	50	20	DDGD	
C[C@@H](COc1ccc(F)cc1F)NCc1ccccc1B(O)O	585018461	LXHAFKKELJZVID-NSHDSACASA-N	321.132	1.202	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cc(F)cc([N+](=O)[O-])c1	731462014	DZPADXUIKAPHIA-UHFFFAOYSA-N	318.264	1.133	50	20	DDGD	
COC(=O)COc1ccc(C=NNC(=O)[C@@H]2CCCCO2)cc1	834985970	MJNWMRNAVIGULI-AWEZNQCLSA-N	320.345	1.258	50	20	DDGD	
O=C(C1=C(c2ccccc2)SCCO1)N1CC[C@H](B(O)O)C1	902551342	CZMOQDWGSHBLBQ-LBPRGKRZSA-N	319.191	1.194	50	20	DDGD	
O=C(NC[C@@H]1CCOC2(CCC2)C1)NNC(=O)C1CCCC1	836426045	GAKIRYHTJHXARS-GFCCVEGCSA-N	309.410	1.856	50	20	DDGD	
O=C1CC[C@@H]2[C@@H]1[C@@H]2C(=O)NNc1nnc(-c2ccccn2)s1	907664444	CBBOCXHZXKANGS-PPKCKEKNSA-N	315.358	1.268	50	20	DDGD	
CC[C@H](C)CN(C)c1ccc(F)cc1C=NNC(=O)C(N)=O	734744061	YNWPEAWRCVFHQA-JTQLQIEISA-N	308.357	1.243	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNc1ccc(C(=O)OC)c(F)c1	837054422	YSHWJKGABLWTFP-VHSXEESVSA-N	312.341	1.974	50	20	DDGD	
COC(=O)N1CCC(NC(=O)[C@@]2(C)C[C@@H]2Br)CC1	906404540	LWMDRCXMYQBXEO-CABZTGNLSA-N	319.199	1.507	50	20	DDGD	
O=C(NNc1ncccn1)c1ccc(N2CCC(O)CC2)cc1	733888083	KMXNPIZRMSOIJN-UHFFFAOYSA-N	313.361	1.195	50	20	DDGD	
C[C@H](N)C[C@H](C)NC(=O)NNC(=O)Nc1ccc(Cl)cc1	831223788	KHSGUVLCWXOSIX-IUCAKERBSA-N	313.789	1.802	50	20	DDGD	
CC[C@@H](c1ccccc1)N(CC)C(=O)c1ccc(B(O)O)cc1	584940158	QHQTWVAISWUWEM-KRWDZBQOSA-N	311.190	1.980	50	20	DDGD	
CCC(CC)c1cc(CNCc2cccc(B(O)O)c2)on1	585024842	FBDQAHQZBJMVMS-UHFFFAOYSA-N	302.183	1.548	50	20	DDGD	
C[C@H](O)C[C@@H](CNCc1ccc(B(O)O)cc1)c1ccccc1	585027907	AKXMEXLXPAPEHB-YOEHRIQHSA-N	313.206	1.011	50	20	DDGD	
CCC(C)(C)OCC(=O)NNC(=O)CNc1cccc(OC)c1	839482952	QLAXZPYTBYGLQK-UHFFFAOYSA-N	323.393	1.460	50	20	DDGD	
COCC1(C(=O)NNC(=O)Cc2ccccc2C)CCCC1	837476131	ZHATVMUXGIMNKD-UHFFFAOYSA-N	304.390	1.892	50	20	DDGD	
CO[C@@H]1CCN(C(=O)NNC(=O)c2cccc(C#N)c2)C[C@@H]1C	836277418	YEVFQDLLLHSOMH-SMDDNHRTSA-N	316.361	1.269	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=Cc1ccc(CO)o1	739400593	PVVGDXVVQSYZTJ-UHFFFAOYSA-N	318.329	1.700	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2cccc(C#N)c2)cc1	839403485	LZYFJRJXMDKXPS-UHFFFAOYSA-N	306.325	1.956	50	20	DDGD	
CC(C)(C)c1ccc(OCC(=O)NN[C@@H](C(=O)O)C2CC2)cc1	833449531	XCICECSUOIBWRA-OAHLLOKOSA-N	320.389	1.847	50	20	DDGD	
CCC[C@H](C=NNC(=O)Cn1nnc(-c2ccccc2)n1)OC	834921095	OZZZZHIBYYPKKL-CYBMUJFWSA-N	316.365	1.257	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNC(=O)[C@H]2CCCCO2)cc1O	833778882	KUECDSQDDBAEAV-IQCBXXCUSA-N	320.345	1.131	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc(Cl)cn1	736016582	KZKIEMWMEPYGEF-UHFFFAOYSA-N	305.721	1.818	50	20	DDGD	
O=C(NCC[C@@H]1CCc2ccccc21)c1cccc(B(O)O)c1	584995660	PUYNTCPWDUESLN-AWEZNQCLSA-N	309.174	1.216	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CSc1nc2ccccc2s1	910180285	LBOHTMDONLTWPN-VIFPVBQESA-N	311.432	1.732	50	20	DDGD	
COc1cccc(NCC(=O)NN=Cc2c(C)n[nH]c2C)c1	915953490	YBVVFIWDXBCQKZ-UHFFFAOYSA-N	301.350	1.597	50	20	DDGD	
CC(F)(F)CCC(=O)NNC(=O)[C@H]1COc2ccccc2O1	915685091	SYAZTKVFWASALZ-LLVKDONJSA-N	314.288	1.409	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Nc1ccc2c(c1)OCO2)C1CC1	836200078	UZXGFZHBQSWSQP-MRVPVSSYSA-N	306.322	1.550	50	20	DDGD	
CCCCCCO[C@@H](C)C(=O)NNC(=O)Cc1ccncc1	839695760	AWRQDEBXJZDBFE-ZDUSSCGKSA-N	307.394	1.757	50	20	DDGD	
CN(CC(=O)NNC(=O)C(C)(C)C)Cc1cccc(C#N)c1	744387159	LQYOENDQESKRRT-UHFFFAOYSA-N	302.378	1.184	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@H](C)N(C(=O)OC(C)(C)C)C1CC1	910144800	NFPARABPNWZDHZ-GHMZBOCLSA-N	315.414	1.118	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1ccccc1F)c1cnn(C)c1	743633314	LSBAOFYVMHNTLT-JTQLQIEISA-N	319.340	1.193	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1)c1ccco1	916370685	DSPDKNGNXJRKQP-JHJVBQTASA-N	307.394	1.865	50	20	DDGD	
COc1cccc(C(=O)NNc2ccnc(N(C)C)n2)c1OC	740104146	DCJRRVQVTOUGCN-UHFFFAOYSA-N	317.349	1.317	50	20	DDGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)NC(N)=O)cc1	849210205	JBPNFWQFJUNJNM-VPMLRQHESA-N	301.302	1.029	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cn(C)nc1-c1cc(F)ccc1F	910183504	LREOEXIYFQNXAN-VIFPVBQESA-N	324.331	1.323	50	20	DDGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)OC(C)(C)C	844091164	CUVCGDZRHPZIJU-WHGQRRHOSA-N	318.377	1.564	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cc(Cl)ccc2O)n1	740102939	RSXSBEQMMJWICO-UHFFFAOYSA-N	307.741	1.659	50	20	DDGD	
CCNCCNC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	841934618	CRMRPRBCNBLQJL-JTQLQIEISA-N	324.450	1.426	50	20	DDGD	
Cc1cnn(CC(=O)Nc2cccc(NC(=O)NN(C)C)c2)c1	843870912	SPVUCERBQAOPGN-UHFFFAOYSA-N	316.365	1.428	50	20	DDGD	
C[C@H]1CC[C@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1	845420149	NFFBVEVPUNFXMQ-MQMHXKEQSA-N	318.373	1.817	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)[nH]c2c1C(=O)CCC2	843978916	ZDTVTUPCYJTESE-VHSXEESVSA-N	319.361	1.028	50	20	DDGD	
COC(=O)/C=C/c1ccc(/C=C(\C#N)C(=O)N2CCCC2)o1	848639178	PVRXYWXZKLBWQO-AOQSKOSGSA-N	300.314	1.995	50	20	DDGD	
CCCCCCOc1ccc(C(=O)NNC(=O)NCCN)cc1	841920055	DRUDJWNFHKEYOL-UHFFFAOYSA-N	322.409	1.548	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1ccccc1[N+](=O)[O-]	748259196	GUNUYQMPCASLHZ-NSHDSACASA-N	309.322	1.487	50	20	DDGD	
O=C(NNC(=O)c1scc2c1OCCO2)NC1CCCC1	847401987	VILHTUDSSNRGOC-UHFFFAOYSA-N	311.363	1.406	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@H](C)CCC(C)(C)C	748633744	SCWLOUHISARJSO-VXGBXAGGSA-N	317.430	1.583	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(NC3CC3)nc2)n1	746624620	ZBRZBVNPGGTFKK-UHFFFAOYSA-N	314.349	1.520	50	20	DDGD	
CN(C)CCc1ccc(C(=O)NNC(=O)C2CCCC2)cc1	847336671	LOQNELLNHFBEJI-UHFFFAOYSA-N	303.406	1.742	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1cccc(SC(F)F)c1	841102044	ZUHUHCNCAPBRIZ-UHFFFAOYSA-N	318.349	1.893	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NC1CCCC1)C1CCC(O)CC1	841387987	ZRBOCXFXKWKFGY-UHFFFAOYSA-N	311.426	1.837	50	20	DDGD	
CO[C@@H](C=NNC(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CCOC1	841641596	YXKBYCGJOVSDSB-YGRLFVJLSA-N	321.333	1.574	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CCCN)cc1OC(C)C	841189718	INEDLJKBOCMUIR-UHFFFAOYSA-N	324.381	1.374	50	20	DDGD	
CCn1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)n1	843518639	YUAKDOAHGVKXSD-SNVBAGLBSA-N	320.324	1.271	50	20	DDGD	
CC[C@@H]1CN([C@H](C)C(=O)NNC(=O)CC(C)C)CCS1	744424721	RDRBTCVWBOXWNB-VXGBXAGGSA-N	301.456	1.396	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1cnc(C2CC2)nc1	841614635	NGQWBCSHVUXGNC-ZDUSSCGKSA-N	315.421	1.926	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)C(=O)NCc2ccc(Cl)cc2)CO1	842529987	DOGXADPAMOJTBN-SECBINFHSA-N	309.753	1.237	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cn(C)nc2C)cc1OC	755482054	XBCZAMKIHJAOMB-UHFFFAOYSA-N	302.334	1.510	50	20	DDGD	
COC(=O)c1ccccc1CCC(=O)NNC(=O)CC(C)(C)C	759782242	VUZYAANLLQGQTF-UHFFFAOYSA-N	320.389	1.989	50	20	DDGD	
O=C(C[C@H]1CSCCS1)NNc1ncccc1[N+](=O)[O-]	752625718	JGKFLHXYQQBZDG-QMMMGPOBSA-N	314.392	1.672	50	20	DDGD	
O=C(NNC(=O)N1CC[C@@H](c2ccco2)C1)c1cccc(F)n1	852710139	JCROYJIARNLKQS-SNVBAGLBSA-N	318.308	1.658	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](NC(=O)NC[C@@]2(C)C[C@@H]2Br)C1	856917592	YLDJKHDXTVTLAP-KIKITERTSA-N	319.199	1.411	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@@]1(c2ccccc2)CC1(C)C	854290758	DKBSHLQJCXIABK-KRWDZBQOSA-N	317.389	1.026	50	20	DDGD	
CC(C)C#CC(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	854573104	CDTOICAQENXFCW-UHFFFAOYSA-N	309.391	1.039	50	20	DDGD	
Cc1nnccc1C(=O)NNC(=O)c1cc2ccccc2cc1O	753769559	QGJKLEIAMLGRPL-UHFFFAOYSA-N	322.324	1.719	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cc(COC)cs1	853315039	QSVPMOVUVZELKR-JTQLQIEISA-N	300.380	1.396	50	20	DDGD	
Cc1cnn(C)c1S(=O)(=O)NC[C@]1(C)C[C@H]1Br	856753529	SZJRQDIXBHXIKZ-SCZZXKLOSA-N	322.228	1.180	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@H](CC(=O)O)CC(C)C)n1	851653404	LHZIVSQIHYJRDD-LBPRGKRZSA-N	323.397	1.857	50	20	DDGD	
Cc1cscc1C(=O)OCC(=O)NNC(=O)c1cccs1	750383785	MNQBMZWNRMGZKS-UHFFFAOYSA-N	324.383	1.736	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)s1)N[C@H]1CCS(=O)(=O)C1	920384907	RWNABEFKUOLNHR-ZETCQYMHSA-N	321.811	1.222	50	20	DDGD	
CC(C)Cn1cccc(C(=O)NNC(=O)OC(C)(C)C)c1=O	929188350	AJRIRSAWRCHKJQ-UHFFFAOYSA-N	309.366	1.674	50	20	DDGD	
CC(C)=CCNC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	852274202	GGNYMFYVVQKVPD-UHFFFAOYSA-N	312.414	1.226	50	20	DDGD	
CCc1c(C(=O)NC[C@@]2(C)C[C@H]2Br)cnn1C	857398570	OHOCIBCGGSSTHI-ZYHUDNBSSA-N	300.200	1.886	50	20	DDGD	
CC(C)c1ccc(C(=O)NNc2cc(Cl)nc(N)n2)cn1	753453173	AEKVJFBGEMXGCJ-UHFFFAOYSA-N	306.757	1.988	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cccnc1OCC(F)(F)F	854926606	FNAGQLQNPRKURC-UHFFFAOYSA-N	322.312	1.104	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2ncc(Cl)cn2)c2nccn21	856912712	QLAIWHUDEWUGBR-CBAPKCEASA-N	307.745	1.659	50	20	DDGD	
C[C@]1(CN2C(=O)[C@@H]3CSCN3C2=O)C[C@H]1Br	925006340	WDJUVXRBMVIDMF-NYNCVSEMSA-N	305.197	1.497	50	20	DDGD	
COCCOc1ccccc1NC(=O)NNC(=O)c1ccc[nH]1	756212735	OVNMUXFMJWORNR-UHFFFAOYSA-N	318.333	1.506	50	20	DDGD	
Cc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	855005954	KVHBBUDPZBDMIC-CYUUQNCZSA-N	302.374	1.671	50	20	DDGD	
COC(=O)c1cccc(CC(=O)NNC(=O)C2CCCC2)c1	758394705	VEUTUMIEGCTDSK-UHFFFAOYSA-N	304.346	1.353	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ncccc1O	750663554	PMHUHSIFDOYYFA-UHFFFAOYSA-N	310.313	1.272	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc(N2CCCC2)nc1	758370561	FSYOTHGZHZIBQM-UHFFFAOYSA-N	317.437	1.864	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C[C@H]1CCOc2ccccc21	752169584	WMNZQPHTBZASBT-CHWSQXEVSA-N	306.362	1.706	50	20	DDGD	
O=C(/C=C\c1cncc(F)c1)NNC(=S)NCC1CCC1	855091367	NITGFKRSJHMMKE-PLNGDYQASA-N	308.382	1.529	50	20	DDGD	
O=C(NC[C@@H]1CCC[C@@H]1C1CC1)NNC(=O)c1cccc(F)n1	852380117	JITMXXMZIZSZEG-NWDGAFQWSA-N	320.368	1.991	50	20	DDGD	
C[C@]1(CNC(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1Br	857399952	SVOARSOWFHHEAY-WCBMZHEXSA-N	317.143	1.081	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)c1ccc(C)o1)C1CCCC1	852658477	YIWDHDAKNBVFGF-ZDUSSCGKSA-N	309.366	1.737	50	20	DDGD	
Cc1cc(CC(=O)NN=C2C(=O)Nc3c(C)ccc(F)c32)n[nH]1	750932815	QKZKERXMZKBPFB-UHFFFAOYSA-N	315.308	1.181	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1cccc(O)c1	853388104	BGUFHSNOGCIRJK-HIFRSBDPSA-N	303.362	1.096	50	20	DDGD	
C[C@@H](CC=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1	755663583	BDCLUONIZKSSCA-JSGCOSHPSA-N	323.418	1.652	50	20	DDGD	
C=CCN1CCC(NC(=O)NNC(=O)c2cc(C)cs2)CC1	858236567	SIKJJJIRASGYDL-UHFFFAOYSA-N	322.434	1.651	50	20	DDGD	
CC(=NNC(=O)OCC(F)(F)F)c1cc(C(N)=O)n(C)c1	853431477	BNWDNLLAJWYQLO-UHFFFAOYSA-N	306.244	1.137	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1c(F)ccc2ccncc12	855005585	HZSHQDNNRSAVPB-KOLCDFICSA-N	317.320	1.560	50	20	DDGD	
Cc1sc(NC(=O)C(=O)NNC(=O)C(C)C)nc1C(C)C	850409566	BHECBECCJHFHEV-UHFFFAOYSA-N	312.395	1.317	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cccc2nccn12)C1CC1	855098957	OSVWFZWFTOLMLH-VIFPVBQESA-N	303.391	1.242	50	20	DDGD	
C[C@H](C[C@H]1CCOC1)NC(=O)NNC(=O)c1cccc(C#N)c1	759748209	VGUJITAAQPENPD-DGCLKSJQSA-N	316.361	1.317	50	20	DDGD	
C[C@H](Sc1ccccn1)C(=O)NNC(=O)c1ccccn1	754220446	RGKOPRPHVORUFY-JTQLQIEISA-N	302.359	1.418	50	20	DDGD	
Cc1ccnc(NNC(=O)c2nn(C)c(=O)c3ccccc23)c1	755850723	PMPXWIGFZMQOTL-UHFFFAOYSA-N	309.329	1.394	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNc1nccc(N(CC)CC)n1	863896870	KEUYSGHMLIWORS-GFCCVEGCSA-N	309.414	1.971	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)Cc2nc[nH]n2)cc1	864485207	QZUWGYVJBALVNT-UHFFFAOYSA-N	301.350	1.106	50	20	DDGD	
C#Cc1ccc(NC(=O)NNC(=O)C(C)(OCC)OCC)cc1	934925972	CZPSFMRZVXDBFG-UHFFFAOYSA-N	319.361	1.610	50	20	DDGD	
Cc1cc(NNC(=O)[C@@]2(C3CCCC3)CCNC2=O)nc(C)n1	863881899	SLYWGXVIOJNTMW-MRXNPFEDSA-N	317.393	1.233	50	20	DDGD	
COc1ccsc1C(C)=NNC(=O)[C@@H]1CCS(=O)(=O)C1	769776634	BNDWEVYYAXVIPX-SECBINFHSA-N	316.404	1.032	50	20	DDGD	
CCCC[C@H](NNC(=O)c1cn[nH]c1)C(=O)Nc1cc(C)on1	863378863	KMSJAQODDVVONZ-NSHDSACASA-N	320.353	1.138	50	20	DDGD	
Cc1cc(=NNC(=O)CCN(C)C(=O)OC(C)(C)C)cc[nH]1	862513608	JIWGZELXOGRNOG-UHFFFAOYSA-N	308.382	1.512	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)c1cncnc1	760812778	FJXUTTZEUFDVQL-UHFFFAOYSA-N	305.725	1.274	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1coc(SC)c1	868136874	ACLGOVLEHXWZNU-UHFFFAOYSA-N	316.379	1.552	50	20	DDGD	
C[C@@H](NNC(=O)C(C)(C)NC(=O)OC(C)(C)C)C(F)(F)F	862308567	FVTIUDUZFBYKDF-SSDOTTSWSA-N	313.320	1.861	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H](C(C)C)N2C[C@H](C)O[C@H](C)C2)cc[nH]1	862510354	DJOSPEMGVLJELB-IJEWVQPXSA-N	320.437	1.389	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1C[C@H](OC(C)C)C1(C)C	764908870	PHPDUFSOSIQVGH-YPMHNXCESA-N	300.399	1.734	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)[C@H]1CC12CCC2	760439299	BUDZKUGSCRQTCQ-SNVBAGLBSA-N	311.382	1.239	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)C2(F)CCOCC2)c1	864559861	QUIPURMALLVBIL-UHFFFAOYSA-N	309.341	1.032	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc2c(c(OC)c1)O[C@H](C)C2	761659226	QPMMNNMQQQTVLG-SECBINFHSA-N	321.402	1.314	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)SC1=N[C@H](C)CS1	766300409	SPKSENWSOUXUSI-BDAKNGLRSA-N	303.453	1.793	50	20	DDGD	
COCC(=O)NN=Cc1csc(-c2cccc(OC)c2)n1	761816649	BIOHXQULMJDJJM-UHFFFAOYSA-N	305.359	1.915	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN(C)Cc1ccoc1	766861026	UFKYWFHRRRLJEI-UHFFFAOYSA-N	315.373	1.410	50	20	DDGD	
O=C(NN=Cc1ccc(O[C@@H]2CCOC2)cc1)c1cn[nH]c1	863152616	XQFFHMJUQGJWBJ-CQSZACIVSA-N	300.318	1.341	50	20	DDGD	
CC(=NNC(=O)[C@H](C)Oc1ccccc1F)c1ccnn1C	765994357	DTVPCSKPPOKIEV-NSHDSACASA-N	304.325	1.867	50	20	DDGD	
CCOc1cccc(NC(=O)NNC(=O)CC(F)(F)F)n1	765319838	LOHODHYEXNJNCK-UHFFFAOYSA-N	306.244	1.585	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCCOC[C@@H]1CCOC1	768064026	VWSDIDZWWZNNAI-GHMZBOCLSA-N	322.243	1.965	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H](C)CC(F)(F)F	766619469	GZTJWXHEWQRRLG-MRVPVSSYSA-N	319.283	1.980	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C2(C)CCCC2)cn1	874953809	JLLDVDDCLSMYMO-UHFFFAOYSA-N	308.407	1.988	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1NC(=O)NNc1ncncc1F	1117699013	FKTOYEIDOIORJZ-UHFFFAOYSA-N	307.333	1.795	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cccc(NC(C)=O)c1	872354026	KCHBDIXIUDNBTH-UHFFFAOYSA-N	318.377	1.400	50	20	DDGD	
O=C(NNc1ccc(F)cn1)[C@@H]1CCO[C@H]1c1ccncc1	874647644	ZIYWYMLWSNTLEZ-OCCSQVGLSA-N	302.309	1.837	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H](C)c1noc(C)n1	1117326034	CMEYNSBJOSARFN-QMMMGPOBSA-N	319.321	1.092	50	20	DDGD	
CCOCCONC(=O)NNC(=O)c1cccc2ccccc12	773323570	VTEPNXFHRGMXOM-UHFFFAOYSA-N	317.345	1.752	50	20	DDGD	
CCCc1cccc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1	774363563	KQRZQCYFOQZKOF-CQSZACIVSA-N	308.403	1.524	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(C)cc1S(C)(=O)=O	879847078	TZSIXJACIWCDND-UHFFFAOYSA-N	315.395	1.013	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1cnc(C(F)(F)F)nc1	779380065	KSWCXDIDTYHDTA-UHFFFAOYSA-N	318.646	1.696	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@](C)(O)C(C)C)c1	874949729	BJLXRHWXMXUQGE-HNNXBMFYSA-N	305.403	1.393	50	20	DDGD	
COc1nccnc1NNC(=O)NC1(C(F)(F)F)CCC1	879378683	VTMYOGIHNAUZQK-UHFFFAOYSA-N	305.260	1.596	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)c1cncc(Cl)n1	1116736819	CSULDKXWDNPYPZ-UHFFFAOYSA-N	311.128	1.858	50	20	DDGD	
Cc1nccn1CCOC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	771897363	HTSGZGFNDFQJNL-NVNXTCNLSA-N	323.356	1.861	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)Nc1scnc1C1CC1	879058534	QJEHLIRJUZJWKU-UHFFFAOYSA-N	310.379	1.600	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCC(C)(C)C(=O)OC(C)(C)C	875681817	LWOLZDRXEKJVRA-UHFFFAOYSA-N	317.386	1.657	50	20	DDGD	
CC[C@H](C(=O)OC[C@H](C)CBr)N1CCCC1=O	770389177	CPUOTFOZXVAVDS-NXEZZACHSA-N	306.200	1.962	50	20	DDGD	
CC1=CCC[C@H](C)[C@@H]1C=NNC(=O)N[C@H]1CCS(=O)(=O)C1	773200176	HIQLOAVEJLJECS-RWMBFGLXSA-N	313.423	1.451	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)CCCCl)C[C@@H](C(F)(F)F)O1	881959873	DIPMGGFQRMGNHZ-YUMQZZPRSA-N	309.737	1.597	50	20	DDGD	
NC(=O)[C@@H]1C[C@@H]1C(=O)NNc1cc(Br)ccc1F	885149661	XOWKNILBPOIQFG-RQJHMYQMSA-N	316.130	1.153	50	20	DDGD	
CC(C)C(=O)NNC(=O)Cc1ccc(F)cc1Br	776959435	ZPFVSJADTJMRNF-UHFFFAOYSA-N	317.158	1.934	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@@H]1CC(=O)Nc2ccccc21	887154293	FYFCDBRWEWPXAT-LBPRGKRZSA-N	313.357	1.453	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)C2CCOCC2)c(C)c1	883157200	QRSWUJZCYUDVSC-UHFFFAOYSA-N	305.378	1.560	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1ccc(Cl)nc1C	789778773	KQUXONPZWBZPIQ-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)C1=C(C)C(C)(C)OC1=O	780737406	MKADNHFJWJWOIJ-UHFFFAOYSA-N	318.329	1.568	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)C2CCOCC2)cc1C	882805948	CXVAYJSYYAGJOB-UHFFFAOYSA-N	312.391	1.040	50	20	DDGD	
O=C(NCCC1=CCCCCC1)NNC(=O)c1cccnn1	883573575	JGYFWVUKIIDLQC-UHFFFAOYSA-N	303.366	1.701	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1cc2nn[nH]c2cc1F	781931985	KYEBWEIAJVDSFN-UHFFFAOYSA-N	307.676	1.297	50	20	DDGD	
CN(Cc1nc2ccccc2[nH]1)S(=O)(=O)CBr	782413229	PLWYAFXQHGWSCC-UHFFFAOYSA-N	318.196	1.677	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CCc1cnn(C)c1C	780736947	BAYHGHDEDBHBGD-UHFFFAOYSA-N	316.361	1.591	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)NCC(C)(C)C#N)c1	781954824	XNGNOYLAKUMDSM-UHFFFAOYSA-N	318.377	1.562	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1cccc(F)n1	788556433	MPYXFMNCWQFJTG-UHFFFAOYSA-N	316.321	1.891	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)[C@H](C)C2(C)C)o1	780875719	XKQRBHCSUVOLFY-WDEREUQCSA-N	306.362	1.990	50	20	DDGD	
CCS[C@@H]1CCCC[C@@H]1NCC(=O)NNC(=O)C(C)(C)C	787304732	GTFDQSZDGLZWAT-NWDGAFQWSA-N	315.483	1.834	50	20	DDGD	
CC(=NNC(=O)CSc1nc(C)cc(C)n1)[C@@H]1CCCO1	783791492	VSEBDXWRWFRKBC-LBPRGKRZSA-N	308.407	1.857	50	20	DDGD	
CN(NC(=O)C(=O)Nc1cccnc1Cl)c1ccccc1	783431588	HFFNHMBXPWBLPB-UHFFFAOYSA-N	304.737	1.841	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@H]1CCCc2c(O)cccc21	789743426	AKBFMSASYDOWRZ-ZDUSSCGKSA-N	303.362	1.553	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCCc1ccccc1C(=O)OC	899236369	OTZCFOGAQXUVLD-ACCUITESSA-N	302.330	1.576	50	20	DDGD	
CC[C@H](C)CC[C@H](O)CC(=O)NNC(=O)c1ccc(C#N)cc1	793289824	OZSVVBGAYGCBNV-WFASDCNBSA-N	317.389	1.897	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@H](O)C1CCCCC1	792798221	MUVPRSKUXVCRRF-MRXNPFEDSA-N	320.389	1.326	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C)c(C)c1)c1ccc(O)nn1	790143389	HSVIANZVPPIYRW-UHFFFAOYSA-N	314.345	1.718	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@@H](O)Cc1ccccc1	793987084	FPJQJVHBKJXSAQ-ZDUSSCGKSA-N	319.292	1.781	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(-c2ccc(C)cc2)no1	798305500	SDCSNOQGAVQJIT-UHFFFAOYSA-N	316.386	1.945	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCC(=O)COC)cc1	795391789	GVVAIFYYRWKZBD-MDWZMJQESA-N	303.314	1.751	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@H](C)c1nnnn1C1CC1	790718106	NICQZMFDZGSTLO-SECBINFHSA-N	319.344	1.843	50	20	DDGD	
Cc1c(C)c(O)c(C=NNC(=O)CN2CCCC2=O)c(C)c1O	799872205	MVSPNNYZZVQOBG-UHFFFAOYSA-N	319.361	1.096	50	20	DDGD	
Cn1cc2c(n1)CCCC2=NNC(=O)COc1ccc(F)cc1	794484278	XRHMKDGMLIQCMM-UHFFFAOYSA-N	316.336	1.795	50	20	DDGD	
C[C@@H](Oc1ccc(C=NNC(=O)c2cccnc2)cc1)C(=O)O	794854104	BBKNRFVRQIWYAO-LLVKDONJSA-N	313.313	1.697	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCCCn1cncn1	799537499	QQPSJUFINUDBDO-UHFFFAOYSA-N	302.382	1.865	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H](C)Oc1ccc(C=O)cc1	795587960	PILCKPMZXSVIFV-NSHDSACASA-N	307.350	1.397	50	20	DDGD	
Cc1cc(NNC(=O)Cc2ccc([S@](C)=O)cc2)nc(C)n1	798110923	TUUDKWULTKMEPP-QFIPXVFZSA-N	318.402	1.517	50	20	DDGD	
Cc1cc(NNC(=O)CCc2nc3cccnc3[nH]2)nc(C)n1	1328926707	YUWOTZKQSSPPFD-UHFFFAOYSA-N	311.349	1.441	50	20	DDGD	
COCc1cc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)no1	1323810295	VFYNVVWSTHDSIX-UHFFFAOYSA-N	314.301	1.419	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1ncoc1[C@H]1CCCO1	1321867129	NVRPYRGXJIXTJJ-SSDOTTSWSA-N	309.713	1.726	50	20	DDGD	
CC1(C)CC[C@@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)C1	1254422366	GTHDLYWNYJYPSN-SNVBAGLBSA-N	304.394	1.876	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)NCCC2CCC2)C[C@H]1Br	1330962489	USIPBXFBPANLOW-MFKMUULPSA-N	317.227	1.583	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)NCC3(N)CC3)cc2C1	1337029244	CLPMABBQDPOLOE-VIFPVBQESA-N	322.434	1.308	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2ccc(F)cc2C)n1	1334937985	ZQUBLQKCGZONJO-UHFFFAOYSA-N	302.309	1.646	50	20	DDGD	
Cc1c(C(=O)NNc2ccnc(N(C)C)n2)ccc2cncn12	1337549561	LCIYJDPJYYJNIJ-UHFFFAOYSA-N	311.349	1.256	50	20	DDGD	
C[C@H](O)C(=O)N1CCN(C(=O)c2cccc(CCl)c2)CC1	1336422018	YSQKLSNGCXFJMF-NSHDSACASA-N	310.781	1.091	50	20	DDGD	
C[C@]1(Cn2nnnc2N2C[C@H]3C=C[C@H]2C3)C[C@H]1Br	1334658345	QYECDTCKAUVKCE-UXCLJVHYSA-N	310.199	1.611	50	20	DDGD	
CC[C@H](C)n1nccc1C(=O)NNC(=O)OCC(F)(F)F	1263862534	MFYDZDUHMKOOGI-ZETCQYMHSA-N	308.260	1.787	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CC(O)(C3CC3)C2)cc(C#N)n1C	1338792870	NQJFBOGNLWSBGH-ACAGNQJTSA-N	310.357	1.095	50	20	DDGD	
CCN(CC)CC[C@@H](C)NC(=O)NNC(=O)OC(C)(C)C	1263820253	RDFZCEDCOQUYDF-LLVKDONJSA-N	302.419	1.846	50	20	DDGD	
CSC[C@H](C)NC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1261766136	AQBPDGGFLDEEQI-VAOFZXAKSA-N	323.256	1.144	50	20	DDGD	
C[C@]1(CNC(=O)c2ccc(C(=O)O)nc2)C[C@@H]1Br	1347939356	IWAARONNQGBEHQ-JOYOIKCWSA-N	313.151	1.683	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1ccnc(Cl)c1	1354300698	CGXVWYBBAXOOPZ-UHFFFAOYSA-N	305.812	1.801	50	20	DDGD	
NC[C@@H](NC(=O)NNc1ccc(C(=O)O)cc1F)C1CCCC1	1601183727	WOVMVZSFSDILOL-CYBMUJFWSA-N	324.356	1.668	50	20	DDGD	
O=C(Cc1ccc(C(=O)O)cc1)NNc1cccc([N+](=O)[O-])c1	1601356142	GXCQBGQMEYXLSW-UHFFFAOYSA-N	315.285	1.979	50	20	DDGD	
Cc1ccc(-c2nn[nH]n2)cc1C(=O)NNC(=O)CCC(C)C	1605791969	DAKDPUBODXBUFK-UHFFFAOYSA-N	316.365	1.372	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cnc(NC3CC3)s2)nc1	1602384810	YACKISHWBQIWFF-UHFFFAOYSA-N	319.346	1.568	50	20	DDGD	
Cc1nccc(CNC(=O)NNc2ccc(F)c(C(=O)O)c2)n1	1600750752	NJANJDMQYSQMSC-UHFFFAOYSA-N	319.296	1.449	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccnc(N(C)C)n2)cc1C(=O)O	1600341993	HZXYVTVKGKSUEW-UHFFFAOYSA-N	315.333	1.306	50	20	DDGD	
Cc1sc(C(=O)O)cc1NC(=O)NNC(=O)[C@H]1CCCO1	1600874208	PUSKJAVOVZXHPX-MRVPVSSYSA-N	313.335	1.086	50	20	DDGD	
CN(C)c1ccc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)cc1	1549314257	HWLVCUAVPNNZDE-HZPDHXFCSA-N	316.405	1.066	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1ccncc1Cl	1549317152	VSAVQLPPGZZXBV-FZMZJTMJSA-N	322.796	1.438	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1cc(F)cc(F)c1	1549314949	AGIVXLJRLVXQGU-LSDHHAIUSA-N	323.343	1.668	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@H]2CCCO[C@@H]2c2ccnn2C)CN1C	1549320557	OIMUYJPMBRQOLY-ZLDLUXBVSA-N	319.409	1.084	50	20	DDGD	
O=C(CCc1ccccc1C(=O)O)NNC(=O)NC1CCCC1	1610659732	RFKBMDRVRPHZFY-UHFFFAOYSA-N	319.361	1.590	50	20	DDGD	
NCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](F)Cl)CC1	1827607598	IQIJYQACHVYVJO-YPMHNXCESA-N	319.808	1.099	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCN[C@@H]1CC	1578276569	FTZISXKFNVYWCG-ZIAGYGMSSA-N	319.405	1.163	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)c1ccsc1-c1nn[nH]n1	1582561586	MEYCPJDXQMMECD-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)Cc1cnc[nH]1)C2	1845164481	HZSULCBBCQBBMD-LBPRGKRZSA-N	324.812	1.173	50	20	DDGD	
CCCN1CCCC[C@@H]1C(=O)NNc1ncccc1C(=O)O	1589675232	QEHUIZKJQMVVPP-GFCCVEGCSA-N	306.366	1.487	50	20	DDGD	
O=C(C1=COCC1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843367112	HHLCRLCFRFCGME-JTQLQIEISA-N	302.733	1.028	50	20	DDGD	
Cc1[nH]c(C(=O)NNC(=O)CCc2ccco2)c(C)c1C(=O)O	1599953023	FXWQOLGSCATDQW-UHFFFAOYSA-N	319.317	1.317	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)c1ccc(-c2nn[nH]n2)cc1	1593161056	GVHCRJDGRVBZKL-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
O=C(NN=C1C[C@H]2C=C[C@@H]1CC2)c1cccc(-c2nn[nH]n2)c1	1593155596	SOMOUIGFTSXIIG-WDEREUQCSA-N	308.345	1.939	50	20	DDGD	
N#C/C(=C\c1cc(-c2nn[nH]n2)cs1)C(=O)[C@H]1CCCOC1	1592662433	FGOXYNPKIIHNRL-YNYSXPKMSA-N	315.358	1.831	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cc(C(=O)O)c(F)cc1F	1594866881	NOZKJVFYUKXIFQ-ZCFIWIBFSA-N	315.276	1.862	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)C1(C(=O)O)CC=CC1	1594417229	FMPRMKXEAYWHDW-UHFFFAOYSA-N	302.330	1.106	50	20	DDGD	
O=C(O)c1cc(F)c(C=NNC(=O)c2cccc(F)n2)c(F)c1	1776093668	DHLQZISFIJLAKD-UHFFFAOYSA-N	323.230	1.961	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=Cc2ccc(O)c(O)c2)c1	1776094671	FSVXFLNITYKLLI-UHFFFAOYSA-N	300.270	1.560	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNC(=S)Nc2ccccn2)[nH]n1	161710241	UAZPGGGRFCCSMB-UHFFFAOYSA-N	318.406	1.734	50	20	DDGD	
CC[C@H](OC1CCCCC1)C(=O)NNC(=O)c1cccnc1	155563099	CWIDGMODSRYYCR-AWEZNQCLSA-N	305.378	1.971	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2CCc3[nH]ncc3C2)n1	154075948	GKNUNMKBEVXRFC-LLVKDONJSA-N	301.354	1.000	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)/C=C\c2ccco2)cc1OC	209602331	MOXVXVGFZZGPPX-VURMDHGXSA-N	316.313	1.771	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)c2ccc(CCl)cc2)CC[C@@H]1O	311346253	CDBGWJTUXKDNFB-MFKMUULPSA-N	303.811	1.817	50	20	DDGD	
CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(CCl)cc1	380128612	SHSCIVLUWDVLKC-GFCCVEGCSA-N	316.810	1.325	50	20	DDGD	
C=CCN1CC[C@@H](N(C)NC(=O)OCc2ccccc2)C1=O	859386574	UVJDFBIBHFQETN-CQSZACIVSA-N	303.362	1.547	50	20	DDGD	
CN(CCOC[C@H]1CCCO1)NC(=O)OCc1ccccc1	859387882	JHYISIIKQJSLTM-OAHLLOKOSA-N	308.378	1.955	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COCCO1)c1ccc2ccccc2c1	57096827	HKNOSNQXZDRMNG-AWEZNQCLSA-N	300.314	1.016	50	20	DDGD	
CCCOc1cccc(C(=O)NNC(=O)Cc2cccnc2)c1	103423635	GXHSIIFOZSGRLY-UHFFFAOYSA-N	313.357	1.874	50	20	DDGD	
CCOC(=O)NNC(=O)c1nc(C2CC2)n(-c2ccccc2)n1	102321847	MTMKBLWBCJCUON-UHFFFAOYSA-N	315.333	1.536	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1C[C@@H]1C1CC1	177622393	UHFGEZFZYDIYAL-FZZIBODNSA-N	306.337	1.787	50	20	DDGD	
O=C1COc2ccc(C(=O)NNc3ncccc3Cl)cc2N1	114884549	OQPINESWIFJMAP-UHFFFAOYSA-N	318.720	1.823	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CSc1ccccc1Cl	109996465	WFFLSZKPSSBIPR-UHFFFAOYSA-N	324.793	1.925	50	20	DDGD	
Cc1ncsc1CNC(=O)NNC(=O)CCc1ccccc1	103879844	ROVRLRDDNWLDMQ-UHFFFAOYSA-N	318.402	1.915	50	20	DDGD	
C[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	105311811	UQPKCPDYFVXPHV-BXKDBHETSA-N	306.322	1.727	50	20	DDGD	
Cc1cccnc1CNC(=O)NNC(=O)c1ccc(C#N)cc1	105287337	QUOOFYDKWSTODL-UHFFFAOYSA-N	309.329	1.406	50	20	DDGD	
CCO[C@H](CCNC(=O)NNC(=O)c1ccc(C)o1)C(C)C	177302369	AYKMQLNXLUJVMK-GFCCVEGCSA-N	311.382	1.983	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1cn(C)c2ccccc12	65898158	SQPCKISCJATGAG-UHFFFAOYSA-N	318.377	1.088	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)OCC(=O)N(C)C2CC2)c1	63936029	YZIHPWFASARJSY-JYRVWZFOSA-N	314.341	1.766	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)CC1CCC1	173059973	PCKIZGPXBYSRNU-UHFFFAOYSA-N	306.362	1.802	50	20	DDGD	
CCN(C)C(=O)CNS(=O)(=O)c1ccc(CCl)cc1	306029896	KZJCVLACEGZEOZ-UHFFFAOYSA-N	304.799	1.182	50	20	DDGD	
Cn1ccc2ccc(NC(=O)NNC(=O)Cc3cc[nH]n3)cc21	186108323	DGPLYEBAMDTKBM-UHFFFAOYSA-N	312.333	1.297	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1ccc2nc(S)oc2c1	173691082	GUWATOVVICDGAW-UHFFFAOYSA-N	302.315	1.519	50	20	DDGD	
CC(C)CS(=O)(=O)CCC(=O)NNc1ncccc1Cl	114884776	FOKWCOFUVWGLRZ-UHFFFAOYSA-N	319.814	1.639	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)[C@@H]1CC(=O)Nc2ccccc21	66573307	JJLURKQRYZNQNI-GFCCVEGCSA-N	303.362	1.696	50	20	DDGD	
CC/C(=C\C(=O)NNC(=O)N1CCOCC1)c1ccc(C)cc1	172880524	HXFVDAPVKQIYID-WYMLVPIESA-N	317.389	1.861	50	20	DDGD	
CC(C)n1cc(Br)cc1C(=O)NNC(=O)N(C)C	172907450	ZGMYOSGFSLGHIY-UHFFFAOYSA-N	317.187	1.748	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC[C@@H]2CC=CCC2)n1	69240404	UZVDMRIDURPMAB-CYBMUJFWSA-N	305.382	1.187	50	20	DDGD	
Cc1ccc(C)c(NC(=O)C(=O)NNC(=O)CC(C)(C)C)c1	126105733	QFYUTNSGTFGVKD-UHFFFAOYSA-N	305.378	1.826	50	20	DDGD	
CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)NNC(=O)C(C)(C)C)C1	78326008	AFNFVIGGIXGINO-HJTOQOCKSA-N	317.455	1.443	50	20	DDGD	
CN1CCOc2ccc(NC(=O)NNC(=O)c3ccc[nH]3)cc21	186349576	SLXOTVNNECTZGG-UHFFFAOYSA-N	315.333	1.310	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2ccncc2C)n1	183447985	QJIAZXNJQSIXKV-UHFFFAOYSA-N	302.338	1.056	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2cccc(C)c2)n1	181519346	UPZAUBCETCOHRH-UHFFFAOYSA-N	300.318	1.480	50	20	DDGD	
CCCN(C)c1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1	126307446	QXOKMTHDPVOCQS-UHFFFAOYSA-N	300.362	1.936	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)NCC(F)(F)F)c1cccc(F)c1	75566835	ZFOIOKZOHBGADI-SSDOTTSWSA-N	307.247	1.822	50	20	DDGD	
COc1cccc(NNC(=O)c2cc3c(s2)CCOC3)n1	180686391	HCTXPCMREUYVPT-UHFFFAOYSA-N	305.359	1.981	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)[nH]n1	122460249	JNELVTCFUMGZHU-SECBINFHSA-N	320.324	1.340	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H](C)NC(=O)C(C)(C)C	120626908	LPMUFKLKQNIUSZ-LLVKDONJSA-N	320.393	1.699	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NC[C@H]1Cc2ccccc2O1	46876428	VDUKRBBEYNFBPE-LLVKDONJSA-N	307.350	1.729	50	20	DDGD	
CCNC(=O)NNC(=O)CCOc1ccc(F)cc1Cl	49164519	RNVZYVWFBYCXDN-UHFFFAOYSA-N	303.721	1.598	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)C[C@H]2CCC[C@H](C)C2)n1	133932318	VUNAVWYKEQAEKJ-FZMZJTMJSA-N	306.410	1.864	50	20	DDGD	
O=C(CCc1ccco1)NNC(=O)COCc1ccccc1	194821755	OBNPZGUITJPIEV-UHFFFAOYSA-N	302.330	1.576	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)c1ccc2nncn2c1	132945017	ORBVERUJYUFNJH-UHFFFAOYSA-N	311.330	1.491	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCc1ccc(C(N)=O)o1	81014550	NLCIRQWBSDDUSC-UHFFFAOYSA-N	324.768	1.361	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCc2ccc(F)cc2C1	134021118	PYJSETUZACNBSK-GFCCVEGCSA-N	321.396	1.766	50	20	DDGD	
Cc1ccnc(NNC(=O)CNC(=O)c2cccc(Cl)c2)c1	88424123	OWHUDXGXZJJYAR-UHFFFAOYSA-N	318.764	1.917	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNC(=O)NC1CCCCC1)C1CCCC1	193105064	YTQFHDAIQAHFSW-CQSZACIVSA-N	324.425	1.344	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(C)(C)O	190051562	BKOAQSUHKGUVSL-MRVPVSSYSA-N	300.742	1.026	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)[C@H]1C[C@@H]1C1CC1	90509270	LQFPUWVHLMPSAV-NEPJUHHUSA-N	320.414	1.981	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(Cl)nc1)c1nnc2n1CCC2	266838483	NZPANXPMXMIQIZ-MRVPVSSYSA-N	321.772	1.660	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cccc(NC(=O)C2CC2)c1	264795516	SPDQMQPHSNDALB-UHFFFAOYSA-N	301.346	1.596	50	20	DDGD	
CN(NC(=O)NCCc1cn2c(n1)SCC2)c1ccccc1	274313392	AYSMMISCCIGDAF-UHFFFAOYSA-N	317.418	1.882	50	20	DDGD	
CCS(=O)(=O)c1cc(F)ccc1NC(=O)NNC(=O)OC	273916165	UNYLPLIQGKQHSD-UHFFFAOYSA-N	319.314	1.012	50	20	DDGD	
Cc1nn(CC(=O)NNC(=O)NC2CC2)cc1-c1ccccc1	277724950	OAVZBELMLHTMIB-UHFFFAOYSA-N	313.361	1.351	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)n1	363575147	NTGSZQJMHDPACP-YNEHKIRRSA-N	319.409	1.923	50	20	DDGD	
COc1ccnc(NNC(=O)c2cccc([C@@H]3CCOC3)c2)n1	270524876	SMUFHYUAZDBSMS-CYBMUJFWSA-N	314.345	1.746	50	20	DDGD	
CCCc1cc(NC(=O)NNC(=O)c2ccccn2)n(C)n1	273434229	UYLUZMDDHFEKGB-UHFFFAOYSA-N	302.338	1.234	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CC[C@H](CC(N)=O)C1	368211120	FZLVBESZCOIEAF-BFTHVDOESA-N	301.321	1.457	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2(Cc3ccc(F)cc3)CC2)[nH]n1	276270730	QTJCMHANJARHOI-UHFFFAOYSA-N	316.336	1.641	50	20	DDGD	
COC(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	274324128	YHDDWYOUNMCVMK-QMMMGPOBSA-N	311.725	1.080	50	20	DDGD	
CCC[C@@H]1CN(C(=O)NNC(=O)c2ccccc2OC)CCO1	270354456	PMKRPIVGVFSVSF-GFCCVEGCSA-N	321.377	1.551	50	20	DDGD	
O=S(=O)(NCCCCO)c1ccc(CCCCl)cc1	278489527	HBAGSFIAAFGFRY-UHFFFAOYSA-N	305.827	1.909	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccccc1O[C@@H]1CCOC1	273479627	UDJZYLCZSDPUHE-GFCCVEGCSA-N	319.361	1.807	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1	288463597	QGJKTOJQOYUQMN-INIZCTEOSA-N	323.412	1.790	50	20	DDGD	
CC(C)[C@@H]1NCC[C@H]1C(=O)NNc1nc(-c2ccccc2)no1	289867788	GUTSBIITEFJFBJ-OLZOCXBDSA-N	315.377	1.814	50	20	DDGD	
Cc1nc2cc(F)c(F)cc2n1CC(=O)NNC(=O)C1CCC1	280605216	UYQXUQVKVBZVQK-UHFFFAOYSA-N	322.315	1.570	50	20	DDGD	
C[C@@](O)(CCc1ccccc1)C(=O)NNC(=O)NC1CCCC1	283341600	PCBVHZJCXGUWRO-QGZVFWFLSA-N	319.405	1.643	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NCC(C)(C)C2CCC2)n1	297312110	AUPPQKAQULCURX-UHFFFAOYSA-N	321.425	1.657	50	20	DDGD	
CCc1nc2ccc(Cl)cn2c1C(=O)NN(C)CCOC	297031485	IXFWLUZDBNRPMM-UHFFFAOYSA-N	310.785	1.773	50	20	DDGD	
Cc1c(NNC(=O)[C@@H](NC(N)=O)C(C)(C)C)cccc1[N+](=O)[O-]	298174099	RMOKOSJDZDGEAZ-LLVKDONJSA-N	323.353	1.429	50	20	DDGD	
Cn1cncc1CNC(=O)NNC(=O)C(C)(C)c1ccccc1	290794371	UCGCMCWXELFGOA-UHFFFAOYSA-N	315.377	1.228	50	20	DDGD	
COCc1cnc(NC(=O)NNC(=O)c2ccccc2)s1	806601578	PAJOKHWWJLMCTJ-UHFFFAOYSA-N	306.347	1.756	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1	298726853	XPTMCVFHEPZPFB-LBPRGKRZSA-N	309.322	1.637	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)C[C@H]2C=CCC2)cc1	291103271	DXDAZYNFMSCBRV-LBPRGKRZSA-N	323.418	1.736	50	20	DDGD	
CCc1noc(NC(=O)NNC(=O)COc2ccc(C)cc2)n1	296650614	CQYOIBBYYUVLJH-UHFFFAOYSA-N	319.321	1.172	50	20	DDGD	
COc1c(C)cc(C(=O)NNC(=O)[C@@H]2CCCCO2)cc1C	295559425	MOVABTMAECLBPG-ZDUSSCGKSA-N	306.362	1.642	50	20	DDGD	
COc1cccnc1CC(=O)NNC(=O)CCc1ccccc1	806725277	KSJDAFPGLILMDP-UHFFFAOYSA-N	313.357	1.413	50	20	DDGD	
CN(CC(=O)NNc1nccnc1C1CCC1)[C@@H]1CCSC1	805465325	IJJXDKDBNIVXGE-GFCCVEGCSA-N	321.450	1.625	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc(F)c(F)c(F)c2)O1	294336101	SZWNSPKASCPDFG-WKEGUHRASA-N	302.252	1.432	50	20	DDGD	
CN1C(=O)CC[C@@H]1C(=O)NNc1ccc(Br)cc1	806392867	ZALLXXZKMXKZTI-SNVBAGLBSA-N	312.167	1.513	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2nnc(C3CC3)s2)n1C	293494727	MMOBODONVPCWNG-UHFFFAOYSA-N	321.362	1.298	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1cc(Cl)cc(C)c1O	807981602	PIWONYPPOXVGRL-UHFFFAOYSA-N	313.741	1.550	50	20	DDGD	
Cc1ccc2snc(C(=O)NNC(=O)[C@@H]3CCCO3)c2c1	294178704	WSJHXNLVJUHMQA-JTQLQIEISA-N	305.359	1.545	50	20	DDGD	
N[C@@H]1CCCC[C@@H]1CC(=O)NNc1nc(-c2cccnc2)no1	295574085	AXDYYIPXPHUDNV-ZYHUDNBSSA-N	316.365	1.482	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CN(C)C)sc2cc(F)ccc12	806772276	NETVGRQUGSRCKV-UHFFFAOYSA-N	309.366	1.671	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1cccc(-n2ccnn2)c1	807965718	IJFYQFYEULSSKM-UHFFFAOYSA-N	316.365	1.327	50	20	DDGD	
COCC(=O)NN=C(C)CCCCNC(=O)OC(C)(C)C	811644719	HPUHEAYFWFAJSW-UHFFFAOYSA-N	301.387	1.820	50	20	DDGD	
Cn1c(NNC(=O)CCCCc2cnn[nH]2)nc2ccccc21	816577674	VTAXKCCFOUZQLU-UHFFFAOYSA-N	313.365	1.548	50	20	DDGD	
Cc1occc1C(=O)NCC(=O)NNc1cccc(Cl)n1	817006694	UUWOJZCXIZVKAL-UHFFFAOYSA-N	308.725	1.510	50	20	DDGD	
CN(NC(=O)CCCCN1C(=O)c2ccccc2C1=O)C1CC1	819652515	SREYMHQMTZWYNW-UHFFFAOYSA-N	315.373	1.578	50	20	DDGD	
CCc1ccc(C#CC(=O)NNc2cc(Cl)nc(N)n2)cc1	816047045	SYYYOFAESOMYPM-UHFFFAOYSA-N	315.764	1.769	50	20	DDGD	
Cn1c(NNC(=O)[C@H]2CSCCS2)nc2ccccc21	816579569	VNHYQVFIHGCSOM-LLVKDONJSA-N	308.432	1.865	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2CC[C@H](C(=O)O)C[C@H]2C)n1	814752755	BZOUWRPICJQGPJ-SKDRFNHKSA-N	306.366	1.493	50	20	DDGD	
O=C(Cn1nnc(-c2ccccc2)n1)NN=C1CC[C@H]1C1CC1	814704080	JFLOYKGTGUGSKO-ZDUSSCGKSA-N	310.361	1.632	50	20	DDGD	
CC[C@H](OC1CCCCC1)C(=O)NNC(=O)c1ccnnc1	817694047	ZZVITHFZUKFOFK-ZDUSSCGKSA-N	306.366	1.366	50	20	DDGD	
O=C(Cc1cc(Cl)cc2c1OCC2)NNc1ncncc1F	817067640	OPPOKFBXCMKNCM-UHFFFAOYSA-N	322.727	1.890	50	20	DDGD	
C=CCC(F)(F)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	815311414	JTDYDLQRNQXDHT-SECBINFHSA-N	306.309	1.323	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H]2CCNC(=O)C2)cc1C	812724445	DHNAZDQTYNGQKI-LLVKDONJSA-N	319.361	1.141	50	20	DDGD	
CC(=NNC(=O)CC1CC1)c1ccc(N2C(=O)CCC2=O)cc1	814987194	LIXNTZFJSZWPTF-UHFFFAOYSA-N	313.357	1.980	50	20	DDGD	
N#C[C@H]1CC[C@@H](NC(=O)NNC(=O)Cc2ccc(F)cc2)C1	823885465	DYYQXGTYLMGERU-WCQYABFASA-N	304.325	1.391	50	20	DDGD	
CNc1ncnc2cc(C(=O)NNC(=O)C3CCCC3)ccc12	821750831	RWASJBHABRUXOZ-UHFFFAOYSA-N	313.361	1.623	50	20	DDGD	
CC(C)Cc1ccc(C(=O)NNC(=O)CN2CCCC2=O)s1	828343275	DUEJGEZTWIPUBI-UHFFFAOYSA-N	323.418	1.330	50	20	DDGD	
COc1cccc(NNC(=O)NCc2cccc(C(=O)O)c2)n1	820870951	JKCAHEWJLCBWJU-UHFFFAOYSA-N	316.317	1.615	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CC(C)(C)OCC2(C)C)cn1	825964197	KIYYBVWIIWJPPX-AWNIVKPZSA-N	302.378	1.743	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cccnc1S	826448789	LYKTZYZMMXSUCS-UHFFFAOYSA-N	313.346	1.307	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)c2ccc[nH]2)cc1C	821754413	CFPGUQCYKOCYBE-UHFFFAOYSA-N	300.362	1.818	50	20	DDGD	
CC(C)(C)OC(=O)N1CC=C(C(=O)NNC(=O)CC2CC2)CC1	496399502	CGZDMMDDEKCANH-UHFFFAOYSA-N	323.393	1.501	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccccc1[S@@](=O)C(F)(F)F	822563556	MKVLNOYPMDLSAD-IJSAXESFSA-N	324.324	1.271	50	20	DDGD	
COCCOc1ccc(NCc2ccc(B(O)O)cc2F)cc1	585012203	PDPGWGXSOILYLM-UHFFFAOYSA-N	319.141	1.143	50	20	DDGD	
Cn1ncc(CCCNC(=O)[C@@]2(C)C[C@H]2Br)n1	908420290	UIVQQXJZFBMPDC-KOLCDFICSA-N	301.188	1.037	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)OCc2nc(C(F)F)no2)cn1	820718056	BNRSZCGLQXIMNV-WAPJZHGLSA-N	309.232	1.391	50	20	DDGD	
COC(=O)[C@H](NNC(=O)C1CCOCC1)c1ccc(F)cc1	905813988	BPCLVFMPNCIKIN-CYBMUJFWSA-N	310.325	1.087	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCc1ccc(C(N)=O)cc1	491159381	IMRHOIMHGHJXNF-OQLLNIDSSA-N	321.336	1.714	50	20	DDGD	
N#C/C(=C\c1cnccn1)C(=O)NCc1ccc([N+](=O)[O-])cc1	491177815	ZCUYJFZBJNWUQK-KPKJPENVSA-N	309.285	1.608	50	20	DDGD	
COCC1(O)CCN(C(=O)[C@@]2(C)C[C@@H]2Br)CC1	907148485	BXXZTVSOACIDQT-ONGXEEELSA-N	306.200	1.160	50	20	DDGD	
C[C@H](CCc1cccc(F)c1)NCc1ccc(B(O)O)cc1	585023812	QEXRTTQZXDFSFO-CYBMUJFWSA-N	301.170	1.616	50	20	DDGD	
OB(O)c1cccc(CNC2CCN(c3ccccc3)CC2)c1	585018335	JWNBSHOACFWRSP-UHFFFAOYSA-N	310.206	1.125	50	20	DDGD	
COCC1(NC(=O)/C(C#N)=C/c2ccc(O)cc2)CCOCC1	490943810	TWRYYECXKTYLKX-GXDHUFHOSA-N	316.357	1.611	50	20	DDGD	
CSCc1cc(F)ccc1CNCc1ccc(B(O)O)o1	585015910	DIUJVGQPEIEYRS-UHFFFAOYSA-N	309.171	1.251	50	20	DDGD	
Cc1cc(C)c(/C=C\C(=O)NNC(=O)c2cnn(C)c2)cc1C	735446418	WKCOTVVIDNDBOY-WAYWQWQTSA-N	312.373	1.820	50	20	DDGD	
CCN1CCC(CCNC(=O)/C(C#N)=C/c2cnn(C)c2)CC1	491177029	TXQSMXNOBRPVEH-MHWRWJLKSA-N	315.421	1.565	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)NNc1ncccn1	496322214	IUQOYMPELDVSKF-MNOVXSKESA-N	321.381	1.613	50	20	DDGD	
Cc1ccn(C)c(=O)c1NC(=O)/C(C#N)=C/c1ccc(O)cc1	490970196	GHEGBFOTPDYTGU-UKTHLTGXSA-N	309.325	1.945	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1cn(C)nc1-c1ccncc1	735406581	HHHNNJXBLQWTBW-UHFFFAOYSA-N	309.333	1.278	50	20	DDGD	
CC[C@H](C)c1ccccc1OCC(=O)N1CC[C@@H](B(O)O)C1	585068575	DRZVDUBHEZXTHR-QWHCGFSZSA-N	305.183	1.654	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2ccc3c(c2)CCO3)ccn1	731562009	HULPLOZZADXEGX-UHFFFAOYSA-N	310.357	1.846	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)COc1cccc(Cl)c1	732083983	CNGJCUBBCCCYGH-UHFFFAOYSA-N	308.725	1.212	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1nc2ccccc2n1C)C(C)C	496128184	XPWJONIBXOLEDZ-LBPRGKRZSA-N	319.365	1.397	50	20	DDGD	
CO[C@@H]1COC[C@@H]1NC(=O)NNc1cc(F)c(F)cc1F	838777031	CIISOAONBBFTRB-WDEREUQCSA-N	305.256	1.144	50	20	DDGD	
CC(=NNC(=O)CCNC(=O)OC(C)(C)C)c1cccnc1	495189611	MPVNDTHVKCMQAZ-UHFFFAOYSA-N	306.366	1.837	50	20	DDGD	
COc1ccccc1[C@@H]1C[C@H]1C(=O)NNc1ncncc1F	839777911	AZKJNZHGQZTODS-WDEREUQCSA-N	302.309	1.871	50	20	DDGD	
CCn1cnc(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)c1	834663576	SNGGUDOHOCTWSR-UHFFFAOYSA-N	316.365	1.753	50	20	DDGD	
CS[C@@H]1CCCC(=NNC(=O)[C@H](C)CN2CCOCC2)C1	901155050	JIXBJHIFOKDECL-TZMCWYRMSA-N	313.467	1.733	50	20	DDGD	
Cc1cc2ncc(C(=O)NNc3ccc(Cl)nn3)c(C)n2n1	735687135	SOVXMGKBMGCYFO-UHFFFAOYSA-N	317.740	1.546	50	20	DDGD	
O=C1[C@@H](NS(=O)(=O)CCl)CCN1c1ccc(Cl)cc1	830648195	CGSANDMMKBGTJP-JTQLQIEISA-N	323.201	1.561	50	20	DDGD	
CC(C)(C)c1noc(CCCC(=O)NNC(=O)C2CCC2)n1	732142466	CBINQNGXVJRDNV-UHFFFAOYSA-N	308.382	1.637	50	20	DDGD	
COc1ccccc1C(=O)NN=C1C(=O)Nc2cc(F)ccc21	731487152	LQTGAKZDJWVDGM-UHFFFAOYSA-N	313.288	1.921	50	20	DDGD	
Cc1c(NC(=O)C(=O)NNC(=O)CC2CC2)ccc(F)c1F	839513400	XUMZQKVAEYWUDF-UHFFFAOYSA-N	311.288	1.159	50	20	DDGD	
CCN(C[C@H](O)C(F)(F)F)C(=O)[C@@]1(C)C[C@@H]1Br	907526891	ROWGZIKGFXOACQ-ZKWXMUAHSA-N	318.133	1.932	50	20	DDGD	
Cc1cc(C(=O)NCB(O)O)c2ccc(Br)cc2n1	585060000	IXWUJWNETBABAN-UHFFFAOYSA-N	322.955	1.048	50	20	DDGD	
CCc1ncncc1C(=O)NNC(=O)[C@@H](CC)c1ccccc1	731997954	ZTTZYTMVUNSOBA-ZDUSSCGKSA-N	312.373	1.994	50	20	DDGD	
O=C(N[C@@H]1CC[C@@H](c2ccccc2)C1)c1ccc(B(O)O)cc1	584970720	RRHRGVKYMNCSFV-NVXWUHKLSA-N	309.174	1.433	50	20	DDGD	
COc1cc(C)nc(COC(=O)/C(C#N)=C\c2cnn(C)c2)c1	837970971	KGMRUJHRSVHZRG-ACAGNQJTSA-N	312.329	1.783	50	20	DDGD	
CN(NC(=O)c1cc2nn[nH]c2cc1F)C(=O)OC(C)(C)C	838371839	HHZWIFUWZPWSJB-UHFFFAOYSA-N	309.301	1.609	50	20	DDGD	
CCOCC(=O)NN=Cc1ccc(OC)c(Br)c1	731154104	UBOFIGKWWIRHAF-UHFFFAOYSA-N	315.167	1.944	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2c(C)noc2C)cc1	916297002	ZIXKKWPADHQIBR-UHFFFAOYSA-N	303.318	1.829	50	20	DDGD	
CCC[C@@H](C(=O)NNc1cc(C)ccc1F)S(N)(=O)=O	830821487	VCHTUCDFNGQDKS-NSHDSACASA-N	303.359	1.034	50	20	DDGD	
CCOCc1cccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	831412013	KFKNWFLFAIHTBA-SMDDNHRTSA-N	321.377	1.801	50	20	DDGD	
N#Cc1ccc(NNC(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1	747831010	JPWOOSXOVGVJHZ-UHFFFAOYSA-N	321.296	1.590	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C(C)C)cc(NC(C)=O)c1OC	742477771	STLNJRXUYLXZOR-UHFFFAOYSA-N	323.349	1.079	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)C1(OCc2ccccc2)CCOCC1	910161337	XCIIKJJAOCZRDX-AWEZNQCLSA-N	322.405	1.096	50	20	DDGD	
COCCOc1cccc(C=NNC(=O)Cc2cc(C)[nH]n2)c1	917543564	RSCQHAZQFRUWBQ-UHFFFAOYSA-N	316.361	1.436	50	20	DDGD	
CCn1ccc(CNC(=O)NNC(=O)Nc2ccccc2C)n1	840400697	CIKYHSNXIXDEIK-UHFFFAOYSA-N	316.365	1.747	50	20	DDGD	
CC(C)CNC(=S)NNC(=O)[C@@H](C)CN1CCCCCC1	747726529	WJUZOPICAQHDBA-ZDUSSCGKSA-N	314.499	1.650	50	20	DDGD	
Cc1cc(C=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)c(C)[nH]1	917573479	YYLXOBWXWPKWTB-UHFFFAOYSA-N	301.306	1.886	50	20	DDGD	
O=C(C[C@H]1CCOC1)NNC(=O)NCc1ccc(Cl)cc1	740178055	ZRXNUVDQYTVCMJ-LLVKDONJSA-N	311.769	1.597	50	20	DDGD	
COC/C(C)=C/C(=O)NNC(=O)c1ccc(OC)c(OC)c1	844277804	HRQXNOJQGVDJHO-JXMROGBWSA-N	308.334	1.058	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1ccc2c(c1)CCO2	917546371	WJUHXOGKQRWLMV-UHFFFAOYSA-N	302.359	1.733	50	20	DDGD	
O=C(NNC(=O)c1ccc2ccccc2n1)c1ccc(CO)cc1	912766666	INLUGJXTDAXNFQ-UHFFFAOYSA-N	321.336	1.802	50	20	DDGD	
COc1ncnc(N)c1C=NNC(=O)c1cc2c(s1)CCC2	747628993	XXFMQARYDIZWLP-UHFFFAOYSA-N	317.374	1.382	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccccc1OC(F)F	841008730	BELLABVPEAZDIS-UHFFFAOYSA-N	302.281	1.180	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCC2(N)CCC2)c2ccccc21	841967084	MFUZGPDBPIHXII-UHFFFAOYSA-N	315.377	1.004	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1	910184302	OXWWVCXHVVFVBY-KCJUWKMLSA-N	306.284	1.083	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cnn(C)c1)c1cccc(Cl)c1	741937271	TYHVSYPVHIAUES-SECBINFHSA-N	306.753	1.638	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNc1nc2ccccc2n1C	848379953	UYPAOYJURSNXNV-UHFFFAOYSA-N	317.393	1.713	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(C(=O)OC(C)(C)C)nc1	845302390	STQLNCOEKWZVOB-UHFFFAOYSA-N	322.365	1.391	50	20	DDGD	
Cc1nn(-c2cccc(F)c2)cc1C(=O)NN(C)C[C@@H](C)O	910146843	MEIBDLPNALIHCF-SNVBAGLBSA-N	306.341	1.277	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)C1CC2(CCC2)C1	843755837	OIAOSDSJZBVTIO-UHFFFAOYSA-N	306.337	1.932	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=C1CCO[C@H]1C	747740618	HORITVBDZZNLHH-NSHDSACASA-N	300.362	1.880	50	20	DDGD	
Cn1nc2c(c1C(=O)NNCC(F)(F)C(F)(F)F)CCC2	913163775	WEKMUZGBBIOOLC-UHFFFAOYSA-N	312.242	1.341	50	20	DDGD	
O=C(NCCC[C@@H]1CCCN1)NNC(=O)c1ccc(Cl)cc1	842007223	WZJHYQNMWLZHTE-ZDUSSCGKSA-N	324.812	1.816	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)c2cc3c(s2)CCC3)nnn1C	841791566	ABMXWZCHFDVKMB-UHFFFAOYSA-N	320.378	1.140	50	20	DDGD	
O=C(O)CSCC(=O)NNc1cccc(C(F)(F)F)n1	740485253	CUFQTWUNFOLWJG-UHFFFAOYSA-N	309.269	1.361	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)Nc1cccc(NC(=O)NN(C)C)c1	843871127	XUHXLGSRCHSWFT-SNVBAGLBSA-N	322.365	1.422	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C[C@H](CC#N)c1ccccc1	843654206	HFWFBWRQDJSJPS-QEJZJMRPSA-N	315.373	1.646	50	20	DDGD	
CCn1nncc1C=NNC(=O)Cn1c(C)nc2ccccc21	841609150	NXUFQSCABSLRHY-UHFFFAOYSA-N	311.349	1.106	50	20	DDGD	
C[C@H](Cc1cccc(F)c1)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843649748	XDBPATXMYXJSTP-JTNHKYCSSA-N	308.353	1.577	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1cccc2c1CCNC2=O	841782868	SQVYOLMPUQRUFG-UHFFFAOYSA-N	304.350	1.171	50	20	DDGD	
CCC(CC)(CO)C(=O)NNc1ccc2c(=O)[nH]ccc2c1	848053832	VZOFSHNYUXNCEB-UHFFFAOYSA-N	303.362	1.770	50	20	DDGD	
CCOc1ccc(CC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	843649516	WIESEKVZOHJUBC-FZMZJTMJSA-N	306.362	1.200	50	20	DDGD	
COc1ccccc1O[C@H](C)CNC(=O)NNC(=O)C(C)C	743692344	XJCALUKOKMPQSZ-LLVKDONJSA-N	309.366	1.449	50	20	DDGD	
CC(C)NC(=O)NNS(=O)(=O)c1ccc(Cl)c(F)c1	844651560	MLFLHZNHIQAZEL-UHFFFAOYSA-N	309.750	1.380	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@@H]1Cc1ccccc1	752314145	LLMSVPOXRWWKDJ-GDBMZVCRSA-N	317.433	1.885	50	20	DDGD	
CC[C@@H](C)CCNC(=O)NNC(=O)COc1ccccc1OC	851914677	BESUJQABJQECRJ-GFCCVEGCSA-N	323.393	1.841	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)OCC(F)(F)F	856026630	FRZZWMSLIMHDDV-UHFFFAOYSA-N	310.203	1.524	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1ccc2c(c1)CCCO2	853282337	AIQRINOMPBQKGZ-UHFFFAOYSA-N	301.346	1.130	50	20	DDGD	
CCCN1CC[C@@H](NC(=O)NNC(=O)c2ccc(CC)cc2)C1	852631989	NNIYWTZODOIWLD-OAHLLOKOSA-N	318.421	1.677	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)COC2CCCCC2)nc1	759725906	WHRKMCQFOJQEJO-UHFFFAOYSA-N	307.350	1.661	50	20	DDGD	
Cc1cc(C)n([C@@H](C)CC(=O)NNC(=S)N[C@@H](C)C2CC2)n1	855102263	IZDKNLPXWYLCSO-RYUDHWBXSA-N	323.466	1.745	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1ccc2c(c1)CCCO2	853337897	WGXQATZGEZRWDU-UHFFFAOYSA-N	316.405	1.693	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)Cc2c[nH]c3ccccc23)O1	756899748	OPRPLZJMAOVPGJ-DOMZBBRYSA-N	315.373	1.815	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2cncn2C)c1C	854066883	ITORVSGLSZXRTP-UHFFFAOYSA-N	317.349	1.341	50	20	DDGD	
CC(=NNC(=O)NCc1ccco1)c1ccc2c(c1)CC(=O)N2	920829420	ONNIHMHCTFWEHU-UHFFFAOYSA-N	312.329	1.998	50	20	DDGD	
CN(C[C@@H]1COCCO1)C(=O)NC[C@@]1(C)C[C@@H]1Br	856894905	XHTXBOBOMHVTCI-JFGNBEQYSA-N	321.215	1.217	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCc2nncn2C1	855626995	UPUJDGBBSSGDMI-MRVPVSSYSA-N	320.284	1.031	50	20	DDGD	
COc1ccc([C@H](C)CC(=O)NNc2nnc(C)c(O)n2)cc1	750233897	VVPWPBVUQZKYCD-SECBINFHSA-N	317.349	1.531	50	20	DDGD	
CCOc1ccc(C[C@@H](C)C(=O)NN(C)C(=S)NC)cc1	854927707	OZLIPYMNODHORM-LLVKDONJSA-N	309.435	1.731	50	20	DDGD	
COCCN(C)CCNC(=O)NC[C@]1(C)C[C@H]1Br	856830547	PCESHDPETIHCLA-PWSUYJOCSA-N	322.247	1.037	50	20	DDGD	
C[C@]1(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCCN2)C[C@H]1Br	857253203	IRMQZZGHWUPQIM-XVIXHAIJSA-N	317.271	1.907	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H]1CCCCCC(=O)C1)C1CC1	855097092	JEDRYUXMQLHVBD-CMPLNLGQSA-N	311.451	1.820	50	20	DDGD	
NC(=O)CCC1CCN(CCI)CC1	759422197	TXVSDUQOGHTVMC-UHFFFAOYSA-N	310.179	1.399	50	20	DDGD	
O=C(CCCC(=O)C1CC1)NNC(=O)c1cccc(Cl)n1	857324546	IPLONARLQKVUKG-UHFFFAOYSA-N	309.753	1.645	50	20	DDGD	
CCCC(C)(C)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855829549	WZRUNDZQTBHFPO-UHFFFAOYSA-N	313.442	1.903	50	20	DDGD	
Cc1cccc(CC(=O)NNC(=O)N(C)C)c1Br	858908123	WQYWQGXIHBVZMP-UHFFFAOYSA-N	314.183	1.602	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)C1CC1)Nc1ccc(OC(F)F)cc1	854379708	KIDSIASGBFDBND-JTQLQIEISA-N	315.276	1.212	50	20	DDGD	
CC(C)N1CCC[C@H]1C(=O)NNC(=O)C(C)(C)c1ccccc1	932373372	WHUWJJFAHQCJNP-HNNXBMFYSA-N	317.433	1.984	50	20	DDGD	
COC(=O)c1[nH]c(C)c(C(=O)NNC(=O)CC(F)(F)F)c1C	855000202	CWNVPYCLJGAVAW-UHFFFAOYSA-N	321.255	1.132	50	20	DDGD	
CNC(=S)N(C)NC(=O)/C=C(\C)Cc1ccccc1OC	854923818	JUYJYKRFYRGLFX-ZHACJKMWSA-N	307.419	1.651	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(C)cc(Br)c1	854922188	AFLREWJTXQZAQC-UHFFFAOYSA-N	316.224	1.838	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cc(Cl)n1	853389302	CSVQYZVMSFJVBV-OLZOCXBDSA-N	322.796	1.357	50	20	DDGD	
Cn1nncc1NNC(=O)C1(Cc2ccccc2Cl)CC1	857273917	VPXRMXBBYOHTCO-UHFFFAOYSA-N	305.769	1.935	50	20	DDGD	
Cc1nnccc1C(=O)NNc1ccc(-c2ccccc2)nn1	753815917	WQWUNUHEJZKGLL-UHFFFAOYSA-N	306.329	1.999	50	20	DDGD	
Cc1cccnc1[C@H]1CCCC(=NNC(=O)CS(C)(=O)=O)C1	863187008	UOSCCBQKQGNMNM-LBPRGKRZSA-N	323.418	1.564	50	20	DDGD	
CCCO[C@@H](C(=O)NNC(=O)N(C)C)c1ccc(F)cc1C	931119862	RRJHNMKCLJHOSG-CYBMUJFWSA-N	311.357	1.904	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)Cc1cc(C)[nH]n1	869014856	BXJLDOKHBUBIBZ-OCCSQVGLSA-N	322.409	1.393	50	20	DDGD	
CC[C@H](C)N(CC(=O)OC)S(=O)(=O)CC(C)(C)CCl	867225011	IXGUIMSJEWSJMD-JTQLQIEISA-N	313.847	1.855	50	20	DDGD	
O=C(NNc1nccc(N2CCOCC2)n1)[C@H]1CC12CCCC2	762853552	UCHDWGCGJQBOMA-GFCCVEGCSA-N	317.393	1.337	50	20	DDGD	
Cn1nnc2cc(C(=O)NNCC(F)(F)C(F)(F)F)ccc21	863096002	QQBMCKADCGXUCQ-UHFFFAOYSA-N	323.225	1.400	50	20	DDGD	
CNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](Br)C(C)(C)C	766747005	TZVHDWWSDVQRNU-BQBZGAKWSA-N	323.187	1.183	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](C)Cn2ccc(C)n2)nc1	867015265	CVJZFTKIIMPOOZ-SNVBAGLBSA-N	317.349	1.153	50	20	DDGD	
CC(C)C1(C(=O)NNc2cccc(S(C)(=O)=O)c2)COC1	935257807	WKBRSRVDOJVQPB-UHFFFAOYSA-N	312.391	1.206	50	20	DDGD	
C[C@H](C(=O)NNc1cccc2c1CCCC2)[C@@H]1CCC(=O)N1	860322840	OIZMRWPJAWLXSZ-FZMZJTMJSA-N	301.390	1.923	50	20	DDGD	
CC(=O)NNC(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1	765195573	NHBPAMBSYLCHLA-UHFFFAOYSA-N	307.350	1.743	50	20	DDGD	
CC(C)(C)c1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1	862464287	WHJLZZINEKCHEM-GFCCVEGCSA-N	303.362	1.024	50	20	DDGD	
Cc1ccc([C@@H](C)C=NNC(=O)Cc2cc(O)nc(O)n2)cc1	863096428	HTLPQUPASJFQON-NSHDSACASA-N	314.345	1.644	50	20	DDGD	
O=C(NNC(=O)c1cccc(CN2CCCC2)c1)c1cn[nH]c1	862474189	HFVUVFCQWHKOES-UHFFFAOYSA-N	313.361	1.080	50	20	DDGD	
CC(=NNC(=O)CN(C)C)[C@H](C)Cc1ccccc1[N+](=O)[O-]	761258340	JKMHLXQFGRJMJQ-LLVKDONJSA-N	306.366	1.827	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC2(C(F)(F)F)CCC2)n[nH]1	879378396	GBGZEVXSHPJFEH-UHFFFAOYSA-N	305.260	1.147	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccc(OC(F)F)c(Cl)c1	878680215	JMFCVRQAFMRVAW-UHFFFAOYSA-N	321.711	1.264	50	20	DDGD	
C[C@@H](CBr)COC(=O)CN(C)[C@@H]1CCSC1	770406501	BPQNCWBEUKMOKU-VHSXEESVSA-N	310.257	1.998	50	20	DDGD	
COCCOCC(=O)NN=Cc1conc1Cc1ccccc1	872400779	RDGWQHWUGYCVNU-UHFFFAOYSA-N	317.345	1.379	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CC[C@@H]1CCCO1	771997866	PMJSRIYUBBZKOV-NEPJUHHUSA-N	314.382	1.071	50	20	DDGD	
CC[C@@H]1COCCN1CCNC(=O)NCCSSC	875569852	RRRDJCJBRZRBDD-LLVKDONJSA-N	307.485	1.408	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1CCO[C@@H](C)C1	776340267	YGYJOKJYBGTGNZ-CMPLNLGQSA-N	316.361	1.219	50	20	DDGD	
Cc1ccnc2nc(C(=O)OC[C@H](C)CBr)nn12	770326085	RSJJOZYMKDQMPT-SSDOTTSWSA-N	313.155	1.621	50	20	DDGD	
CC(CCOCc1ccccc1)=NNC(=O)CS(C)(=O)=O	872393843	JGTFCNSRQAZWGO-UHFFFAOYSA-N	312.391	1.130	50	20	DDGD	
C=C[C@](C)(O)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874954042	PXNDFPYBYNPBKY-AWEZNQCLSA-N	308.407	1.007	50	20	DDGD	
CCC(=NNC(=O)COCCOC)c1cccc(OC)c1OC	872399529	LDCYHFHMQZRABD-UHFFFAOYSA-N	324.377	1.597	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1CCCOc2ccc(F)cc21	875141374	OFYHHVNZVGRDBW-LLVKDONJSA-N	311.313	1.952	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2ccnc(Br)c2)c[nH]1	771540306	IRHIDTNCEQPSHJ-UHFFFAOYSA-N	323.150	1.598	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCC1CC1)c1ccc(OC)cc1	775676542	YZPZWQGZUKXZQY-AWEZNQCLSA-N	305.378	1.929	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ncoc1-c1ccc(F)cc1	771268127	GMZNQBUGRNLMHR-UHFFFAOYSA-N	306.297	1.835	50	20	DDGD	
CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NNc1cc(Cl)ccn1	778719764	UHSOWRQOOWBZJA-UWVGGRQHSA-N	311.773	1.276	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@@H]2CCCC(F)(F)C2)c1Cl	1116933423	VAEHURCUTNUSQF-ZCFIWIBFSA-N	305.716	1.981	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNc2nncc(N)c2Cl)c1	1116292521	LHAREGREBUPOKN-UHFFFAOYSA-N	321.724	1.256	50	20	DDGD	
N#CCc1ccccc1CC(=O)NNc1nccnc1Cl	777523056	GKNCXWFPBCRTFW-UHFFFAOYSA-N	301.737	1.882	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@@H](O)CCc1ccccc1	882062669	MEJABMRTYPKWOW-ZDUSSCGKSA-N	305.827	1.528	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CCCNC(=O)C(C)(C)C	772830898	OFGLNPGTSJDXHO-UHFFFAOYSA-N	321.425	1.986	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1)c1cn(C)cn1	872337096	UFHSHEBRDXXXHH-RWMBFGLXSA-N	321.425	1.006	50	20	DDGD	
CCN[C@@H](C)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	876659546	AEUUCINUQKMGKB-QMMMGPOBSA-N	309.757	1.831	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(N)ccc1Cl	772054311	NRRCBPDZARVEOR-ZETCQYMHSA-N	313.741	1.025	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccc(-c2nc[nH]n2)cc1	771741285	LLIZUVJVXIDCLI-UHFFFAOYSA-N	313.239	1.185	50	20	DDGD	
Nc1cccc([N+](=O)[O-])c1C(=O)NNc1cccc([N+](=O)[O-])c1	779537134	PSGFBZUWPXDXTF-UHFFFAOYSA-N	317.261	1.842	50	20	DDGD	
Cc1cc2c(cc1C)[C@@H](C(=O)NNc1ncc(F)cn1)CO2	771438141	VFDKWVLOBOWTFH-LBPRGKRZSA-N	302.309	1.852	50	20	DDGD	
Cn1cc(C(=O)C(=O)NNc2ncc(Cl)cc2Cl)cn1	775275911	MTXLRBIQXMDLMQ-UHFFFAOYSA-N	314.132	1.448	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccc[nH]1	771091519	XOWUWMKOUWYZBD-UHFFFAOYSA-N	313.273	1.479	50	20	DDGD	
O=C1[C@H](NS(=O)(=O)CCCCl)CN1c1ccc(F)cc1	882054172	JWIQNEORPDAWAX-LLVKDONJSA-N	320.773	1.089	50	20	DDGD	
C[C@H]1CN(CCCNS(=O)(=O)CCCCl)CCCO1	882129705	ZXNIOOCRAWQSSC-LBPRGKRZSA-N	312.863	1.036	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1c(F)ccc(C)c1F	772233897	ADJKZCNVLRDNMQ-QMMMGPOBSA-N	314.288	1.376	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)COc1ccc(C)c(C)c1)C(C)C	770211672	HMOXFVCZWJWCSV-OAHLLOKOSA-N	308.378	1.501	50	20	DDGD	
O=C(/C=C\c1nccs1)NNCC(F)(F)C(F)(F)F	1123916304	MGESYWPRZKPWBR-UPHRSURJSA-N	301.240	1.975	50	20	DDGD	
Cc1cc(=NNC(=O)Nc2ccnc(CN(C)C)c2)cc[nH]1	880613998	YPTKQXRQKLZXAV-UHFFFAOYSA-N	300.366	1.417	50	20	DDGD	
O=C1Nc2cc(Br)ccc2C1=NNC(=O)C(F)F	782233672	AVMCSQACKCKTGV-UHFFFAOYSA-N	318.077	1.487	50	20	DDGD	
CCC(=NNC(=O)COc1ccc(OC)cc1)c1cn[nH]c1	788953820	FRVCVMDEGXUSKZ-UHFFFAOYSA-N	302.334	1.728	50	20	DDGD	
CC[C@@H](C)[C@H](C)C(=O)OCC(=O)NNC(=O)c1cccs1	780241452	QCCDFBTYSMZBHR-ZJUUUORDSA-N	312.391	1.735	50	20	DDGD	
O=[N+]([O-])c1cccc(CCNS(=O)(=O)CCCCl)c1	882023138	VRQBLAXDFTZGDX-UHFFFAOYSA-N	306.771	1.686	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1oc2ccccc2c1OC	788860565	DOWYNYUZGZPDSP-UHFFFAOYSA-N	321.333	1.308	50	20	DDGD	
COc1ccc(C=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)cn1	780196368	AMBJVLAURJFVTL-UHFFFAOYSA-N	315.289	1.345	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C/c1ccccc1OCC(=O)OC	899369191	RMTPJDXEPWQWPO-XYOKQWHBSA-N	309.343	1.538	50	20	DDGD	
OCCOC1CCN(C[C@H](CBr)C2CC2)CC1	701859611	TYBUGZKEGVGWNC-LBPRGKRZSA-N	306.244	1.881	50	20	DDGD	
O=C(Cc1cc(F)cc2c1OCOC2)NN=c1cc[nH]cc1	780762085	XZESBQRPGSLQMR-UHFFFAOYSA-N	303.293	1.195	50	20	DDGD	
O=C(CO)NN=Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1	794921742	LCCIYJURFZBHDI-UHFFFAOYSA-N	312.251	1.334	50	20	DDGD	
Cc1ccc(C(=O)NN=C(CS(=O)(=O)N(C)C)C(C)C)o1	794916332	WCXSCGKWWIJWFU-UHFFFAOYSA-N	315.395	1.221	50	20	DDGD	
COCC[C@H]1CCCC1=NNC(=O)CNC(=O)c1cccs1	799877721	HQTCQZHEKRNSOO-LLVKDONJSA-N	323.418	1.787	50	20	DDGD	
Cn1cc2c(n1)CCC[C@H]2C(=O)NNC(=O)NC1CCCC1	798937990	XYEBIOFMKFQGPL-LLVKDONJSA-N	305.382	1.113	50	20	DDGD	
O=S(=O)(NCCc1cnoc1)c1ccc(CCl)cc1	718870625	NNOPLDDMQDKAGC-UHFFFAOYSA-N	300.767	1.934	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCc2cnc(C)s2)cc1	1318056468	HGICLURUIDNTHJ-UHFFFAOYSA-N	320.374	1.604	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc(Br)co1	1325448461	YAKSQQCDZGQUQU-UHFFFAOYSA-N	306.185	1.559	50	20	DDGD	
CC(C)[C@@H]1CCC[C@H](NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)C1	1328129901	AHRGDGIUYVHKKP-CRWXNKLISA-N	311.426	1.957	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(-n3ccnc3)nn2)c(C)nn1	1328668256	FQPGFNOQOJQVMI-UHFFFAOYSA-N	324.348	1.080	50	20	DDGD	
C#CCN(CC(=O)NNC(=O)c1ccccc1Cl)CC1CC1	1335589578	PTGYPGDOICCLAU-UHFFFAOYSA-N	319.792	1.446	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)N2C[C@H]3C=C[C@H]2C3)C[C@@H]1Br	1338097473	LHCANWXWMPPTQZ-YVNDNENWSA-N	313.195	1.063	50	20	DDGD	
CCOCCN(C)c1nnnn1C[C@@]1(C)C[C@@H]1Br	1336189554	XKICEUNCTCAZLC-GXSJLCMTSA-N	318.219	1.319	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C1CCOC2(CCCCC2)C1	1333641882	DQUKZWRBDYVUNT-UHFFFAOYSA-N	302.396	1.017	50	20	DDGD	
Cc1ccc(C(=O)NCC(=O)NN[C@@H](C)C(F)(F)F)s1	1331789774	FYNSMIOEGNKAAI-ZETCQYMHSA-N	309.313	1.358	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CC(C)(C)CC[C@@H]2CO)cn1	1336635259	UVKBSBFBEBEKMI-YGLIYXGISA-N	302.378	1.337	50	20	DDGD	
CCCCOc1ccc(C=NNC(=O)C(=O)OC)cc1OCC	1339879234	PLYXGPMOBAPBOO-UHFFFAOYSA-N	322.361	1.887	50	20	DDGD	
O=C(NNc1ccc(-n2cccn2)nn1)N[C@H]1CCC[C@@H](F)C1	1332092962	HBJKBCQWXWFSGX-MNOVXSKESA-N	319.344	1.569	50	20	DDGD	
CC(C)C[C@H](C)OCCC(=O)NNc1nncc(N)c1Cl	1340600593	KTUVJPPFZMMTNT-VIFPVBQESA-N	315.805	1.997	50	20	DDGD	
C=CCCCCNC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1347968069	RVYSZUDXXFNMFM-GWCFXTLKSA-N	317.227	1.749	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C[C@@H]1C(=O)Nc2c(F)cccc21	1351091853	SDNOCOOZCSVJMB-VIFPVBQESA-N	324.381	1.155	50	20	DDGD	
O=C(NN=Cc1ccc(Br)nc1)C1CCOCC1	1353090099	VVQBCYSZLQFOIW-UHFFFAOYSA-N	312.167	1.721	50	20	DDGD	
CC(C)CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)NC(C)C	1519235310	WYZVPPCKLZBKHY-GFCCVEGCSA-N	312.414	1.152	50	20	DDGD	
O=C(NC1CC1)c1cc(F)c(NNC(=O)[C@@H]2C[C@@H]2F)c(F)c1	1521273217	ZJFDRKDLIFCZMX-BDAKNGLRSA-N	313.279	1.658	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1n[nH]cc1Br	1527957551	TWKRLKTWRANFNU-UHFFFAOYSA-N	300.091	1.463	50	20	DDGD	
CN1CC[C@H](C(=O)OC[C@@]2(C)C[C@H]2Br)CC1=O	1526044088	GJYOGDFGWWNWBC-YGOYTEALSA-N	304.184	1.572	50	20	DDGD	
N#CC1(CNC(=O)NNc2ccc(Cl)nc2)CCOCC1	1528070777	UPIKTNQGVKJSLV-UHFFFAOYSA-N	309.757	1.681	50	20	DDGD	
O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ccccc1C(=O)O	1601361421	JFTPWYNSXSOBJU-UHFFFAOYSA-N	315.285	1.979	50	20	DDGD	
CC[C@@H](C(=O)O)N(C)C(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	1603489154	UUDKRZRGUSMUQY-CYIWUNGXSA-N	314.345	1.434	50	20	DDGD	
Cc1cc(=NNC(=O)NCCc2ccc(C(=O)O)cc2)cc[nH]1	1600283110	MRYWAANBPPWDNM-UHFFFAOYSA-N	314.345	1.379	50	20	DDGD	
Cc1ncc(NC(=O)C(=O)NNc2cccc(C(=O)O)c2)s1	1600737411	IBIGDBOLVADPQA-UHFFFAOYSA-N	320.330	1.232	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2c(F)cccc2Cl)O[C@H]1C(=O)O	1607444290	MSWBAJMKBOBVOM-KNBVPPQFSA-N	316.716	1.800	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CCCNC2=O)cc1Cl	1602385034	PHMODGABDWOKGB-SECBINFHSA-N	311.725	1.008	50	20	DDGD	
O=C(CCCCc1cnn[nH]1)NNc1cccc(C(=O)O)c1F	1608303299	ZBSOMKYEBTXITO-UHFFFAOYSA-N	321.312	1.498	50	20	DDGD	
O=C(Cc1ncccc1F)NNc1ccc(-c2nn[nH]n2)cc1	1609537189	XOAKXSGLJLUQPT-UHFFFAOYSA-N	313.296	1.087	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])nc1	1602324415	NGJAPJVMPBGKNH-UHFFFAOYSA-N	320.236	1.584	50	20	DDGD	
O=C(NNc1cccc(F)c1F)c1cscc1-c1nn[nH]n1	1609559503	KYAYXQHHEYQJKY-UHFFFAOYSA-N	322.300	1.963	50	20	DDGD	
CN1CCN(CCO[Si](C)(C)C(C)(C)C)C[C@@H](C(=O)O)C1	1606242673	OZIUBIFIVLDZMV-ZDUSSCGKSA-N	316.518	1.956	50	20	DDGD	
C=CCCn1cc(C(=O)NNc2cccc(C(=O)O)c2F)nn1	1602884830	RBRIMGKIPDXJPP-UHFFFAOYSA-N	319.296	1.448	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)NC1C[C@@H]2[C@@H](C1)C2(F)F	1605820883	JQLYJOZVUFPMFN-RKDXNWHRSA-N	312.276	1.450	50	20	DDGD	
O=C(CCOCc1ccccc1)NNc1ccc(C(=O)O)cn1	1610658252	USLGDNDCHPPYAJ-UHFFFAOYSA-N	315.329	1.830	50	20	DDGD	
Cc1cnc(CCNC(=O)NNc2cccc(C(=O)O)c2)cn1	1610539499	GDULEEGDQMEEFF-UHFFFAOYSA-N	315.333	1.352	50	20	DDGD	
C[C@@H]1C(=NNC(=O)[C@H]2CCCO[C@@H]2c2ccnn2C)CCN1C	1549904042	FINQKKKQURGMAO-XUJVJEKNSA-N	319.409	1.084	50	20	DDGD	
CC[C@](C)(C=NNC(=O)[C@H]1CCCO[C@@H]1c1ccnn1C)OC	1549316469	SIJACHPYUZWCIT-DUVNUKRYSA-N	322.409	1.805	50	20	DDGD	
CO[C@H](C(=O)O)C(=O)NN(Cc1ccccc1)c1ccccc1	1574103825	BQFDEIYMQVIITN-HNNXBMFYSA-N	314.341	1.824	50	20	DDGD	
CC1(N)CCN(S(=O)(=O)c2ccc(CCl)cc2)CC1	1576531654	VDTQWJKCHRXYLR-UHFFFAOYSA-N	302.827	1.927	50	20	DDGD	
COc1ccccc1NNC(=O)Nc1nn(C)c(C)c1CN	1579309473	DNVQQLMIWVMHDJ-UHFFFAOYSA-N	304.354	1.344	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@H]1CC[C@@H](C(=O)O)C1)c1ccccc1	1588610050	KWDFTLZBQUFISO-NWDGAFQWSA-N	318.373	1.613	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1	1591976563	ICLXLOMGJXMDJN-UHFFFAOYSA-N	317.740	1.914	50	20	DDGD	
Cc1cc(C(=O)N2CCCC23CN(C(=O)[C@@H](F)Cl)C3)no1	1842496804	WSFDCNFTXALRSE-SNVBAGLBSA-N	315.732	1.334	50	20	DDGD	
COC(=O)Cc1occc1C(=O)NNc1cccc(C(=O)O)c1	1598874435	QVVXIINAMPGAGW-UHFFFAOYSA-N	318.285	1.450	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(CC(=O)O)cc1)c1csnn1	1593102090	OUHNQQHDLBYYOH-QMMMGPOBSA-N	321.362	1.553	50	20	DDGD	
C[C@H]1CC[C@@H](CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)C1	1590228032	FPZUSTABTCTECC-WDEREUQCSA-N	315.381	1.929	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1cc(-c2nn[nH]n2)ccn1	1591044205	QRLKDWCUOJORTP-UHFFFAOYSA-N	301.137	1.137	50	20	DDGD	
CN1CC[C@H](CC(=O)NNc2ccc(C(=O)O)c(Cl)c2)C1	1598579573	KTQILDXVKJVGNP-SECBINFHSA-N	311.769	1.823	50	20	DDGD	
C[C@H]1CCC[C@@]1(C)C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1590248849	PSLIBYKHTUTOOX-LKFCYVNXSA-N	301.354	1.531	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F	158872509	IHLNROMKOGKXHQ-WDEREUQCSA-N	319.311	1.868	50	20	DDGD	
CCn1cnnc1-c1ccccc1NC(=O)NNc1ncccn1	160206951	CHSXODLIGLHJMP-UHFFFAOYSA-N	324.348	1.904	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1cccc(OCC(F)(F)F)c1	153376274	DEWNZRPYXCDSAN-UHFFFAOYSA-N	319.283	1.521	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(-n3cncn3)c(C)c2)nc1	159617379	MSEBNAXRARHVKY-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
CC(C)C1(C(=O)N(C)NC(=O)OCc2ccccc2)COC1	826921791	RKSJCQOOSUBFFA-UHFFFAOYSA-N	306.362	1.959	50	20	DDGD	
CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)CCl)C1	830720732	XQZDBTPQKXRSAH-CYBMUJFWSA-N	302.827	1.719	50	20	DDGD	
O=C(N/N=C1/C(O)=Nc2cc3c(cc21)OCCO3)c1ccccn1	7893194	LDPLRMASZHNDEA-UHFFFAOYSA-N	324.296	1.589	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1cccc(OC(F)F)c1	106452250	WORUYQNKHKETGB-UHFFFAOYSA-N	310.260	1.015	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNC(=O)Cn1ccc2ccccc21	171750300	CAJCIMCNUPCQOI-JLHYYAGUSA-N	312.329	1.233	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cc(Br)c[nH]1	103456868	CQDTVDPKHKAAGI-UHFFFAOYSA-N	323.150	1.176	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2ccncc2Cl)c1	174199381	CGEBDHOEMGZKOY-UHFFFAOYSA-N	318.764	1.876	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCOC1)c1cc2c(s1)CCCCC2	66896820	LEMMUVXFEOXVQC-NSHDSACASA-N	308.403	1.815	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CC(C)C)cc2c1OCCO2	10160786	WJCKGSANLUBZLO-UHFFFAOYSA-N	308.334	1.274	50	20	DDGD	
CC(=O)NNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	51340757	DZGRYRITUFPGFT-UHFFFAOYSA-N	306.303	1.499	50	20	DDGD	
Cc1ccc(C)n1-c1ccc(C(=O)NNC(=O)CN(C)C)cc1	171178075	GRCMSFTWWCYRSR-UHFFFAOYSA-N	314.389	1.417	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2F)ncn1	119548786	BCRRLAAIEOHERQ-UHFFFAOYSA-N	308.700	1.652	50	20	DDGD	
CC(C)CC1(CNC(=O)NNC(=O)Cc2cccnc2)CC1	119676110	SJZHDUZQCSVZQF-UHFFFAOYSA-N	304.394	1.781	50	20	DDGD	
CC(C)(C)c1nnc(NC(=O)C(=O)NNc2ccccc2)s1	181273284	ZWQGFUJDGUNCTM-UHFFFAOYSA-N	319.390	1.917	50	20	DDGD	
CCn1c(NNC(=O)COC(C)C)nc2ccccc2c1=O	63689846	LCLQHHJCBDPWRP-UHFFFAOYSA-N	304.350	1.285	50	20	DDGD	
C[C@H]1CCCC[C@H]1OCC(=O)NNC(=O)c1cccc(C#N)c1	112814825	UQESXSVDNXEFEH-SWLSCSKDSA-N	315.373	1.915	50	20	DDGD	
COc1ccnc(NNC(=O)C2(c3cccc(F)c3)CC2)n1	115330397	YOTBESLXQUCVDW-UHFFFAOYSA-N	302.309	1.799	50	20	DDGD	
CN(C)Cc1c(C(=O)NNC(=O)N(C)C)oc2ccccc12	174365975	DDVVJHPAKSWGLH-UHFFFAOYSA-N	304.350	1.410	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@@H](O)CC(C)C	305045427	AJEMVDRABUIYDL-LBPRGKRZSA-N	301.818	1.876	50	20	DDGD	
COc1cc(C(=O)NNC(=O)Cn2nc(C)cc2C)ccc1F	122925717	FCRAQTRVVHTCEH-UHFFFAOYSA-N	320.324	1.109	50	20	DDGD	
O=S(=O)(CCCCl)N1CCN(Cc2cccs2)CC1	37842474	AQLLMYJPFINBRR-UHFFFAOYSA-N	322.883	1.824	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2cc(F)c(F)c(F)c2)cc1	128733154	YFIGTMFUNCZGJV-UHFFFAOYSA-N	309.247	1.960	50	20	DDGD	
C#CCNC(=O)NNC(=O)c1ccc(OCCC(C)C)cc1	127198496	VIQIWVIIJVKNCG-UHFFFAOYSA-N	303.362	1.689	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)c2cccc3ncccc23)c[nH]1	181634211	ZOWHSNQKGWYZIE-UHFFFAOYSA-N	305.297	1.509	50	20	DDGD	
CCc1cccc(CC)c1NC(=O)C(=O)NNC(=O)[C@@H](C)CC	124797207	LLKFWLMSUMLTGA-NSHDSACASA-N	319.405	1.943	50	20	DDGD	
CC[C@H]1CCCC[C@H]1OCC(=O)NNC(=O)Cc1cccnc1	185455724	RHFGLCJBOFIGKT-LSDHHAIUSA-N	319.405	1.757	50	20	DDGD	
COC(=O)Cc1cccc(C(=O)NNC(=O)CC(C)(C)C)c1	189114782	DODUVUHTJJZITA-UHFFFAOYSA-N	306.362	1.599	50	20	DDGD	
O=C(/C=C/C1CCOCC1)NNC(=O)COCc1ccccc1	124412739	OUHKGTDXPUNZFT-VOTSOKGWSA-N	318.373	1.333	50	20	DDGD	
C[C@@H](C(=O)NNc1ncc(F)cn1)N1CCc2ccccc2C1	122467363	JQYPUKKWKIDLEI-NSHDSACASA-N	315.352	1.506	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(OCC(F)(F)F)nc1	77220025	XZBCAOPIUDUMSP-UHFFFAOYSA-N	319.283	1.830	50	20	DDGD	
CC[C@H](CSC)NC(=O)NNC(=O)Cc1ccccc1F	181496352	FWPLICWFTCDQQQ-LLVKDONJSA-N	313.398	1.840	50	20	DDGD	
O=C(CN1CCC[C@@H]1C1CCC1)NNC(=O)c1ccccc1	182216923	PFCUKYBRHWUQAR-OAHLLOKOSA-N	301.390	1.712	50	20	DDGD	
C=C[C@](C)(CCOC)C(=O)NNC(=O)Cc1ccccc1F	188638984	QHZYRPOEKZHBAU-MRXNPFEDSA-N	308.353	1.744	50	20	DDGD	
Cc1ccnc(NC(=O)NNC(=O)CCc2ccccc2O)c1	184260454	PYFUCWQFMBSITH-UHFFFAOYSA-N	314.345	1.881	50	20	DDGD	
CCCCn1cc(C(=O)NNC(=O)Cc2cccnc2)c(C)n1	184863625	AYSQCECRHFGXIM-UHFFFAOYSA-N	315.377	1.390	50	20	DDGD	
C[C@]12CCC(=O)N1[C@H](C(=O)NNc1ccc(F)cc1)CS2	45970528	JBEXRDPXSSMTRE-FZMZJTMJSA-N	309.366	1.723	50	20	DDGD	
CC(Cl)(Cl)C(=O)NNC(=O)NCCc1cccs1	180170857	BRBOLAPADHRMBI-UHFFFAOYSA-N	310.206	1.815	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)N1CCCc2ccc(F)cc21	184497483	PKWNRYDTMNBDNT-UHFFFAOYSA-N	321.352	1.298	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cc(Cl)ccc2O)c1	73170292	GJBISKPSPCVLKQ-UHFFFAOYSA-N	315.716	1.992	50	20	DDGD	
COc1ccnc(NNC(=O)c2cnn(Cc3ccccc3)c2)n1	46364162	OPQKOUUQUQKZEZ-UHFFFAOYSA-N	324.344	1.487	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Cc1ccc(F)cc1F	87249421	ABMSNBUBKXDLAO-UHFFFAOYSA-N	305.284	1.292	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC[C@@]12CCOC2=O	194880006	BTZPECISNKSJAH-RTGRKSDTSA-N	312.325	1.607	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCSC[C@H]1c1cnn(C)c1	191985413	YXGTVMPKYSCHBQ-STRFDMGBSA-N	306.391	1.481	50	20	DDGD	
CCCCCCNC(=O)NNc1ccc(-n2cccn2)nn1	42911558	PRTYYKIMQLVJEC-UHFFFAOYSA-N	303.370	1.869	50	20	DDGD	
O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc[nH]1	229928772	LZAAXKHGXDUVJB-YVMONPNESA-N	300.274	1.397	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)C(=O)Nc2cc(C)n(C)n2)c1	132014037	DMWJBUKPHDTSNE-UHFFFAOYSA-N	301.350	1.427	50	20	DDGD	
COc1nccnc1NNC(=O)C[C@@H](C)c1c(C)n[nH]c1C	132076558	PMAXCLHLQGXDJP-MRVPVSSYSA-N	304.354	1.462	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CC[C@H]1CCCO1	46317348	ABYGJBIGWITUQL-DGCLKSJQSA-N	324.352	1.700	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NCCc2cccs2)n1	43310234	ZENICCDPHJQNIR-UHFFFAOYSA-N	321.406	1.135	50	20	DDGD	
Cc1cccc(C)c1NC(=O)C(=O)NNc1nc2ccccn2n1	191886889	LEIHAZVNPKJGMK-UHFFFAOYSA-N	324.344	1.428	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc2c(c1)NC(=O)CO2	195308391	WICMSSNXBLLFLK-WDZFZDKYSA-N	306.343	1.707	50	20	DDGD	
CSCCNC(=S)NNC(=O)CCc1cccs1	94121571	SJKIXUGTWALZHG-UHFFFAOYSA-N	303.478	1.539	50	20	DDGD	
CCOc1cc(/C=C\C(=O)NNc2ncccn2)ccc1O	255216010	DHAPWWPSLCTSBC-ALCCZGGFSA-N	300.318	1.737	50	20	DDGD	
Cn1cnnc1[C@H]1CCCN1S(=O)(=O)CCCCCl	184476823	SRMSQWHBBYLHOQ-SNVBAGLBSA-N	306.819	1.301	50	20	DDGD	
O=C(CC[C@@H]1Cc2ccccc2NC1=O)NNC(=O)C1CCC1	264770343	OFHISHJCGYCBPU-CYBMUJFWSA-N	315.373	1.525	50	20	DDGD	
Cc1c(NNC(=O)[C@@H](C)NC(=O)C(C)(C)C)cccc1[N+](=O)[O-]	269632474	XPDYSACKSLJKPZ-SNVBAGLBSA-N	322.365	1.897	50	20	DDGD	
O=C(NNS(=O)(=O)N1CCCC1)c1ccc(Cl)cc1F	266998728	CFOAALKSYKSXIS-UHFFFAOYSA-N	321.761	1.054	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1cnn(C)c1)c1ccccc1	265396668	NULVQABKXYJXJA-NSHDSACASA-N	301.350	1.168	50	20	DDGD	
CCCC(=O)N1CSC[C@H]1C(=O)NN(C)c1ccccc1	263868978	LNGCLZDKJDSXAR-ZDUSSCGKSA-N	307.419	1.856	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(Cl)c(F)c1)c1nncn1C	266970074	OUAXXQNXZGFYOP-ZETCQYMHSA-N	312.736	1.995	50	20	DDGD	
O=S(=O)(CBr)N[C@H]1CCc2ccccc2OC1	367186639	OFDIOCHOPIRIQZ-JTQLQIEISA-N	320.208	1.652	50	20	DDGD	
C[C@H]1CCCN(C(=O)C(=O)NNc2cc(F)c(F)cc2F)C1	278406888	LKIQNFKLJCDJNR-QMMMGPOBSA-N	315.295	1.806	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CCn3cncc3C2)cc(C#N)n1C	368198780	CNZQATLXRRTQQY-LHHJGKSTSA-N	320.356	1.351	50	20	DDGD	
Cn1cc([C@@H](O)CNC(=O)[C@H](Br)C(C)(C)C)cn1	274366178	JRCUBANMOPGESP-UWVGGRQHSA-N	318.215	1.379	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)C2CCSCC2)c1	272072336	ZHQQCFHEJLWCPQ-UHFFFAOYSA-N	314.432	1.676	50	20	DDGD	
O=C(NC[C@@H]1COC2(CCCCCC2)O1)NNc1ncccn1	272075594	IQASGHBNHCHYMR-GFCCVEGCSA-N	321.381	1.569	50	20	DDGD	
C[C@H]1C[C@@H](C)C[C@H](C(=O)NNC(=O)COc2ccccc2O)C1	272494612	HTFIOIPTABXKGG-ITGUQSILSA-N	320.389	1.991	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@@H]2CCCN2C2CCCC2)n1	273346098	BJOWTHZTZCKZOB-JTQLQIEISA-N	324.816	1.562	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCCOCC2CC2)n1	279675559	PGDQEAWGOCHJLF-UHFFFAOYSA-N	306.366	1.151	50	20	DDGD	
O=C(CC1OCCCO1)NNC(=O)c1ccc2ccccc2n1	276674230	VDSOGCVMSVSOQG-UHFFFAOYSA-N	315.329	1.149	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)NCCC(C)(C)O)c1	275036639	SFTKIYCTBVVRAV-UHFFFAOYSA-N	323.393	1.174	50	20	DDGD	
COc1ccc(NNC(=O)C(C)(C)NC(=O)OC(C)(C)C)nc1	275563105	MXOVAYWZUVRYLJ-UHFFFAOYSA-N	324.381	1.837	50	20	DDGD	
CCNC(=O)C1(CNC(=O)NNc2nc(C)cc(C)n2)CCC1	277217100	MWFRLUUOURILLO-UHFFFAOYSA-N	320.397	1.026	50	20	DDGD	
CC[C@@H](OC)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	278551009	PIMNERUNODBGLR-BXKDBHETSA-N	314.769	1.680	50	20	DDGD	
O=C(CS[C@@H]1CCCOC1)NNC(=O)c1ccc(F)cc1	272419829	HWJQNWABUYZREI-GFCCVEGCSA-N	312.366	1.499	50	20	DDGD	
CSSCCNC(=O)N1CCC(c2nncn2C)CC1	375221444	YJUHTSVRKFTMHP-UHFFFAOYSA-N	315.468	1.715	50	20	DDGD	
CC1(C)CC[C@H]1NC(=O)NNc1ccc(-n2ccnc2)nn1	287517982	WUZWWDBNYOQMCN-SNVBAGLBSA-N	301.354	1.477	50	20	DDGD	
C[C@H](NC(=O)C1CCCC1)C(=O)NNC(=O)Nc1ccccc1	283802416	VYVUGDKZXZCYKF-NSHDSACASA-N	318.377	1.534	50	20	DDGD	
COCCN(C)NC(=O)[C@@H](NC(=O)c1cccs1)C(C)C	288301848	BZCSZZDADDEVMC-LBPRGKRZSA-N	313.423	1.112	50	20	DDGD	
CSSCCNC(=O)[C@](C)(O)Cn1c(C)cccc1=O	285863116	ZFDXIRGQWIKOGZ-CYBMUJFWSA-N	316.448	1.035	50	20	DDGD	
O=C(CCS(=O)(=O)C1CCCC1)NNc1cccc(F)n1	286695024	XXHBBHYDYPTCRF-UHFFFAOYSA-N	315.370	1.411	50	20	DDGD	
CO[C@@H]1CCC[C@H](CC(=O)NNc2ncnc3nc[nH]c23)C1	280659974	GPEWWMSHVLIJHP-VHSXEESVSA-N	304.354	1.391	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1cc2n(n1)CCCC2	287433906	SPAQSELQCZKNFC-UHFFFAOYSA-N	314.349	1.010	50	20	DDGD	
COc1ccc(NNC(=O)c2cn(C3CC3)c(C)cc2=O)nc1	289288483	ZTXOASCXOICURS-UHFFFAOYSA-N	314.345	1.652	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)Nc1cc2n(n1)CCCC2	287259683	GTGBJTSTGNUOEV-UHFFFAOYSA-N	305.382	1.952	50	20	DDGD	
CC1CCC2(CC1)OC[C@H](CNC(=O)NNc1ccncn1)O2	296822562	XMITUMYEINKNLM-AVERBVTBSA-N	321.381	1.425	50	20	DDGD	
CC(=NNC(=O)c1c[nH]nc1C)c1cnnn1-c1ccccc1	807973326	PEPJNFARHUIRIR-UHFFFAOYSA-N	309.333	1.453	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)C1(C(=O)NC2CC2)CC1	805467336	UEYJFCVQXHTSBD-UHFFFAOYSA-N	315.377	1.246	50	20	DDGD	
C[C@@H](Cc1ccccc1F)NC(=O)NNC(=O)[C@H]1CCCCO1	296365216	OARXBEYKZWSNBA-SMDDNHRTSA-N	323.368	1.656	50	20	DDGD	
C[C@@](O)(CCc1ccccc1)C(=O)NNC(=O)C1CCCC1	801131463	GFSJQTFZKLMBNR-QGZVFWFLSA-N	304.390	1.708	50	20	DDGD	
C[C@H]1Oc2c(cccc2C(=O)NCC(Cl)Cl)NC1=O	808131898	XWVJORAXUQSVIX-ZCFIWIBFSA-N	303.145	1.940	50	20	DDGD	
COC1(CCNC(=O)NNC(=O)c2ccc(C)s2)CCC1	296408768	RDTIDZGIRPGEFL-UHFFFAOYSA-N	311.407	1.960	50	20	DDGD	
NC(=O)Nc1ccc(C(=O)NNC(=O)Nc2ccccc2)cc1	801984896	NPQZKNFJJBLOPQ-UHFFFAOYSA-N	313.317	1.644	50	20	DDGD	
COc1ccc(NNC(=O)c2cccc(O)n2)c([N+](=O)[O-])c1	801633573	NDSNBRQJCZTWEM-UHFFFAOYSA-N	304.262	1.461	50	20	DDGD	
CC1(C)CCC[C@@H]1CNC(=O)NNC(=O)Cc1cccnc1	296194239	CBBUSIKBERVTCJ-CYBMUJFWSA-N	304.394	1.781	50	20	DDGD	
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NNC(C)=O	294263274	QTMDSWSFBNCOBU-NHYWBVRUSA-N	317.389	1.153	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc3ccccc3c2O)O1	293924363	NPXAISLBPRHIHT-HZMBPMFUSA-N	314.341	1.874	50	20	DDGD	
O=C(CCC(=O)c1ccccc1)NNC(=O)[C@H]1CCCCO1	295387772	LCWMSDSZAWXGOL-CQSZACIVSA-N	304.346	1.366	50	20	DDGD	
CC(C)(C)n1cnc(C(=O)NNC(=O)Cc2ccccc2F)n1	291717586	PLQJMDVAUYLPJM-UHFFFAOYSA-N	319.340	1.176	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)[C@H]2CCCCO2)cc1	296199674	HUKHRKDYWVXQTM-CYBMUJFWSA-N	307.350	1.095	50	20	DDGD	
O=C(NCc1cnn2ccccc12)NNc1cncc(Cl)n1	807462700	NOBRTGZJKRWOAP-UHFFFAOYSA-N	317.740	1.604	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1c(F)cccc1Cl	807957258	IJKZFOHWEAKFHG-UHFFFAOYSA-N	311.744	1.942	50	20	DDGD	
CNc1nc(C)cc(C(=O)NNc2nccnc2C2CCC2)n1	805459750	PAKDSZNFFHHMCL-UHFFFAOYSA-N	313.365	1.641	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@H]1CC(=O)N(c2ccccc2)C1	804772377	DZCSYFYMFQCROV-NSHDSACASA-N	314.320	1.717	50	20	DDGD	
Cc1cccc(C(=O)NNc2ccc(-n3ccnc3)nn2)c1F	804954229	BTDRJMADLNNPPV-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2c[nH]nc2-c2ccsc2)O1	293953807	QHXSMRJKKLKKNJ-KWQFWETISA-N	320.374	1.467	50	20	DDGD	
C#CCOc1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)cc1	295341835	IALHTGPODPUQMH-CQSZACIVSA-N	302.330	1.029	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N1CCN(C)CC1)C1CCC(C)CC1	807383123	LGLMRQKUEOOLRZ-NRXISQOPSA-N	324.469	1.827	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2cccc(F)n2)nc1Cl	804770122	STPAQZZOJKMYCA-UHFFFAOYSA-N	309.688	1.125	50	20	DDGD	
CN(C)C(=O)c1cccc(NC(=O)NNC(=O)C(C)(C)C)c1	299283938	YGTWPIJGEJLXMW-UHFFFAOYSA-N	306.366	1.587	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1nc(Br)cs1	294337419	ZIMRHNNHCKRYOK-UHFFFAOYSA-N	304.169	1.467	50	20	DDGD	
COCCC(COC)=NNC(=O)CNc1ccc(OC)cc1	812223090	WGROPXZYSHMIQT-UHFFFAOYSA-N	309.366	1.262	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=S)NC1CCC1	814196341	CKLOGLKHRRFJFI-UHFFFAOYSA-N	302.403	1.689	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NN=Cc1ccn(C)n1	814917297	SEOVJJYUJJHEMT-SNVBAGLBSA-N	306.753	1.991	50	20	DDGD	
COc1cccc(O)c1C=NNC(=O)Cn1nc(C)cc1C	812490285	FJDUGIRYLYCRHM-UHFFFAOYSA-N	302.334	1.364	50	20	DDGD	
Cc1nccc(CCC(=O)NNC(=O)c2ccc(Cl)cc2)n1	814360527	JVVTWKKQANFJDO-UHFFFAOYSA-N	318.764	1.832	50	20	DDGD	
CCOc1ccc(NNC(=O)CS(=O)(=O)C(C)C)cc1	817895785	GTDDMGPITUZMOI-UHFFFAOYSA-N	300.380	1.352	50	20	DDGD	
Cc1nn(C)c(N)c1C=NNC(=O)c1cnn(-c2ccccc2)c1	814848657	PAFVQRBJTPXIGV-UHFFFAOYSA-N	323.360	1.260	50	20	DDGD	
Nc1c(C(=O)NNc2ccc(F)cc2)cnn1-c1ccccn1	814888651	JSQNHQYRSVMNNV-UHFFFAOYSA-N	312.308	1.746	50	20	DDGD	
O=C(CSc1ccccc1O)NN=C1CCN2CCC[C@@H]12	814971490	GWTQZKNZLMWIOJ-LBPRGKRZSA-N	305.403	1.825	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](c2ccc(CC)cc2)C1	814640838	ULSWATXPKPMPLT-CZUORRHYSA-N	317.433	1.984	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)CN1CCC(=O)NC1=O	812769145	WPCNQFPBHZYBJM-UHFFFAOYSA-N	318.377	1.503	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2cccc(Cl)n2)[C@H]1OC	814321929	ULYKVTRBXHNATA-YGOYTEALSA-N	314.773	1.554	50	20	DDGD	
CCN(CCO)NC(=O)c1csc(Cc2ccccc2F)n1	823860151	LNQKCVRDZVLQFL-UHFFFAOYSA-N	323.393	1.832	50	20	DDGD	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)NNC(=O)C(C)C	497189407	GPDTZFMJWUNYFJ-CYBMUJFWSA-N	321.377	1.147	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C1CCOC1(C)C	497234623	AOXIJIRSCIPKGT-NSHDSACASA-N	323.393	1.574	50	20	DDGD	
CCSCC[C@H](C)NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	826114753	UKRFEHLIKVUXSO-GARJFASQSA-N	303.428	1.274	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2csc(C3CC3)n2)c1	728826428	GZLMLGKSQBFWRN-UHFFFAOYSA-N	312.354	1.967	50	20	DDGD	
CC(C)(C)N1CC[C@@H](NC(=O)NNc2ncccc2F)C1=O	827086726	PRDIFPSLZDNISZ-SNVBAGLBSA-N	309.345	1.246	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@@H]1CCCN(CC(F)(F)F)C1	820523892	YSVZPBVNHGCVSH-AWPPVZKDSA-N	319.327	1.821	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NN(C)[C@@H](C)CO)n[nH]2)cc1C	823935638	UTJLDMFZGDMGFP-LBPRGKRZSA-N	302.378	1.651	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NC[C@@H]2COCCO2)cc1	490610062	GRUQPHCENMKUIZ-IHWMJMDHSA-N	316.357	1.524	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCNC(=O)[C@H]1CC1CCCCC1	491012976	SNXHQUGFYXWFEK-OKFGHLOFSA-N	319.405	1.728	50	20	DDGD	
OB(O)c1ccc(CN[C@@H](CC(F)(F)F)c2ccccc2)o1	585016825	AOLQGCNHQPDGHA-LBPRGKRZSA-N	313.084	1.743	50	20	DDGD	
COc1ncccc1NC(=O)NNC(=O)c1cccc(C#N)c1	728941471	CUSHJHQUWINKIO-UHFFFAOYSA-N	311.301	1.428	50	20	DDGD	
COc1cc(NCc2ccc(B(O)O)o2)cc(OC)c1C(C)C	585034463	PPDRXWSTBKYWGI-UHFFFAOYSA-N	319.166	1.712	50	20	DDGD	
CCC[C@H](NCc1ccc(B(O)O)cc1)[C@H](O)c1ccccc1	585038940	MYBSRYCTFUGDAB-ZWKOTPCHSA-N	313.206	1.358	50	20	DDGD	
C#CCCCC(=O)NN=Cc1cc(OC)c(OC)cc1OC	901321105	QBVJTVDWPOXWRW-UHFFFAOYSA-N	304.346	1.966	50	20	DDGD	
O=C(CN1CCC[C@@H](Cc2ccccc2)C1)NNC(=O)C1CC1	733198577	JNZJZAWJFYVEPZ-HNNXBMFYSA-N	315.417	1.499	50	20	DDGD	
CCNC(=O)NN=Cc1ccc(OC)c2oc(C(=O)O)cc12	829799609	NUPAGJPFLLEBLP-UHFFFAOYSA-N	305.290	1.793	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)N[C@H]2CO[C@H](C)C2)cc1	828421884	SHFJRJNWNJOIOL-VXGBXAGGSA-N	323.418	1.595	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1COc2ccccc21	826446351	IMUVTEHKSSFPNR-ZDUSSCGKSA-N	322.328	1.486	50	20	DDGD	
CON(CC1CCOCC1)C(=O)[C@@]1(C)C[C@H]1Br	908047921	CLNCPFPZNMXJNB-PWSUYJOCSA-N	306.200	1.977	50	20	DDGD	
CC(=O)NNC(=O)c1nn(-c2ccc(C)cc2)c2c1CCCC2	731050230	GCVCVHDGGSJIRB-UHFFFAOYSA-N	312.373	1.840	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)[C@@H](C)Oc1ccc(F)cc1	834928354	MJZPAZNUSHGYDS-LLVKDONJSA-N	319.340	1.663	50	20	DDGD	
CC[C@H](CNC(=O)NNc1cccc(Br)n1)OC	838596361	DRMQHVJAHBJSQS-MRVPVSSYSA-N	317.187	1.895	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCC[C@H]1Cc1ccccc1	584929830	WOSDUTMJGRJLCC-KRWDZBQOSA-N	309.174	1.214	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1)c1ccncn1	834935856	XNCLNYAKLPCAGB-JHJVBQTASA-N	319.409	1.062	50	20	DDGD	
O=C(COC[C@H]1CCCO1)NNc1cc(F)c(F)cc1F	734551848	BZOBHTKJCAYDIV-MRVPVSSYSA-N	304.268	1.743	50	20	DDGD	
O=C(NCc1ccc2c(c1)CCO2)NNC(=O)[C@@H]1CCCCO1	836268875	PCTWEHBYPZMPSA-AWEZNQCLSA-N	319.361	1.021	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@H]1CCc2cc(F)ccc21	836252504	NOECMDVPHYZLHK-KBPBESRZSA-N	321.352	1.713	50	20	DDGD	
COc1cc2ccccc2cc1C(=O)NNC(=O)CN(C)C	733359848	SLDHITIJKGMSBN-UHFFFAOYSA-N	301.346	1.171	50	20	DDGD	
C[C@@]1(C(=O)NN=c2cc[nH]cc2Cl)C[C@H]1Br	907406331	FOYBDENECHKMLN-PSASIEDQSA-N	304.575	1.774	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@H]1CCC[C@H](C(=O)O)C1	833118847	QFNKQOLZGORFNP-RYUDHWBXSA-N	322.336	1.407	50	20	DDGD	
CCOCCCN1CC[C@@H](NS(=O)(=O)CCl)[C@@H](C)C1	830534900	IPJAXEHASFVFAV-NWDGAFQWSA-N	312.863	1.239	50	20	DDGD	
C[C@H](CN1CCCCCC1)C(=O)NN=Cc1cc(C(=O)O)co1	901156199	ZJNLVWVOVHHMEO-GFCCVEGCSA-N	321.377	1.940	50	20	DDGD	
COc1cccc([C@@H](C)C(=O)NNC(=O)[C@H]2CCCCO2)c1	833251254	UIPMXTIKOZDMBR-BXUZGUMPSA-N	306.362	1.515	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@H]1CC12CCNCC2	831179203	AJRSXPHDPDQTSB-AWEZNQCLSA-N	316.405	1.010	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Nc1cccnc1F	832046642	JBPUPNANQWAALY-UHFFFAOYSA-N	314.317	1.163	50	20	DDGD	
C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)c1ccc(B(O)O)cc1	584985790	QWSQKCGYIRSTEC-RHSMWYFYSA-N	323.201	1.775	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)C2CCC2)cc1C(=O)O	738007126	VQZNIOFKZKNJSM-UHFFFAOYSA-N	321.333	1.024	50	20	DDGD	
CCc1cnccc1[C@H](C)NC(=O)NNC(=O)[C@H]1CCCCO1	836385113	COTBZWFOILQQNU-SMDDNHRTSA-N	320.393	1.605	50	20	DDGD	
Cc1[nH]c(C(=O)NNc2nccnc2Cl)c(C)c1C(=O)O	738155928	FXYKHQHUJAKCKM-UHFFFAOYSA-N	309.713	1.530	50	20	DDGD	
O=CN1CCC[C@H]1C(=O)NNc1ccc(C(F)(F)F)cn1	832395441	KCNQTSFWEIFORV-VIFPVBQESA-N	302.256	1.164	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=CCCc1cnoc1	834932833	GTADURDMSHIYBF-BFHYXJOUSA-N	322.409	1.455	50	20	DDGD	
CCOCC(=O)NN=C(C)c1ccc(OCCN(C)C)cc1	731152732	REVZOSNGYKVFBA-UHFFFAOYSA-N	307.394	1.504	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@H]2CCCCO2)ccnc1Cl	836629991	GZMBZUCJWKFRTJ-SNVBAGLBSA-N	312.757	1.765	50	20	DDGD	
COc1cc(C(=O)O)c(NC=C(C#N)C#N)c(OC)c1OC	831882999	YCKJOLQHCWVBJA-UHFFFAOYSA-N	303.274	1.754	50	20	DDGD	
O=C(NNc1ccccn1)Nc1cccc(N2CCNC2=O)c1	919896735	DEIWSIGZRAJLJX-UHFFFAOYSA-N	312.333	1.760	50	20	DDGD	
CO[C@@H](C)[C@H](C)NC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836418596	OQCFTEONOGGVQH-IUCAKERBSA-N	324.337	1.174	50	20	DDGD	
Cc1nnc(NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)s1	919672546	VZTBMIXKZHHGLY-UHFFFAOYSA-N	322.306	1.221	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)CC(F)(F)F)N1CCCCC1	918057720	UKDTVKMXMGJGSN-UHFFFAOYSA-N	324.347	1.534	50	20	DDGD	
C[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836283895	BZKBDBBCRWSGMV-KOLCDFICSA-N	320.349	1.940	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc(C)c([N+](=O)[O-])c1	740762665	BFORYFXUTKABNT-UHFFFAOYSA-N	320.349	1.658	50	20	DDGD	
C=CCN(CC(=O)NNC(=O)c1cccc(Cl)c1)C(C)C	917168160	QGFQXTKBJLOBKI-UHFFFAOYSA-N	309.797	1.997	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccn(C2CCCC2)n1	843655801	WLPXYHCUWQUVNE-PWSUYJOCSA-N	306.366	1.184	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C(C)=O)c1	847503478	OERGPQHRELOJJB-SECBINFHSA-N	319.361	1.330	50	20	DDGD	
CN(C)CCn1ccc(C(=O)NNc2cccc([N+](=O)[O-])c2)n1	847599968	YAEIKSGQYRRTIN-UHFFFAOYSA-N	318.337	1.110	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(Cl)c1	843652761	KZTVCNDOTKNCCQ-JQWIXIFHSA-N	310.781	1.763	50	20	DDGD	
O=C(Cc1nc2ncccn2n1)NNc1cc(F)c(F)cc1F	748797599	UOXWAHHTOCQBQV-UHFFFAOYSA-N	322.250	1.227	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(F)cc1Br	910178498	XVEMSXMXRDWLSP-SSDOTTSWSA-N	305.147	1.546	50	20	DDGD	
CC(C)c1nn(C)c2sc(C(=O)NN(C)C[C@H](C)O)cc12	910164725	XVWYLLSZFGXQTH-VIFPVBQESA-N	310.423	1.716	50	20	DDGD	
Cc1n[nH]c(C)c1C=NNC(=O)c1nn(C)c(=O)c2ccccc12	915947277	MTJKQIKJYPFOQC-UHFFFAOYSA-N	324.344	1.037	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cccc3[nH]ncc23)cc1	915190527	BAFMCCWYUSCASI-UHFFFAOYSA-N	324.340	1.711	50	20	DDGD	
Cc1nn(C(C)C)cc1C(=O)NNc1ncccc1[N+](=O)[O-]	848372481	UOTSUDJYZTWQAZ-UHFFFAOYSA-N	304.310	1.833	50	20	DDGD	
CCCN(C(=O)/C(C#N)=C\c1cnn(C)c1)[C@H]1CCN(C)C1	843990729	YIERTAMBNGYJGV-OWTLUSIOSA-N	301.394	1.270	50	20	DDGD	
Cc1nc2c(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)cccc2o1	843659606	YDEJFWSRKCAZJE-WPRPVWTQSA-N	303.318	1.322	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccc([N+](=O)[O-])o2)o1	746298307	QWKGVRQKJSFKAO-UHFFFAOYSA-N	305.250	1.928	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@]2(C)CCCCO2)cc1	846376878	JCGLKVZIIZNLIQ-INIZCTEOSA-N	306.362	1.804	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1ccc2c(c1)OCCO2)[C@H]1CCOC1	841615689	DOTMMIGBDRMNHR-WFASDCNBSA-N	320.345	1.225	50	20	DDGD	
CCC(Cc1ccccc1)=NNC(=O)Cc1cc(O)nc(O)n1	743446012	MYLIVMHGFKCMCB-UHFFFAOYSA-N	314.345	1.555	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(Cl)nc1Cl	843648534	QSTWLHQQFSGZGB-RQJHMYQMSA-N	318.160	1.574	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccc(F)n1)N1[C@H](C)CC[C@H]1C	856424869	UROUMHJHTRWZMU-MXWKQRLJSA-N	308.357	1.243	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(Br)nc1)c1cnn(C)c1	750235828	MRRPMESEXYWVQT-QMMMGPOBSA-N	324.182	1.824	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C1CCN(C(C)=O)CC1	751168033	FDISLIRHHMXJHK-UHFFFAOYSA-N	322.317	1.767	50	20	DDGD	
Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNC(=O)OCC(F)(F)F	856023936	BCKRJEMCYXZYNZ-ZCFIWIBFSA-N	322.287	1.460	50	20	DDGD	
CCCN(CCC)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	754243721	DDUSHQIASNZNQI-UHFFFAOYSA-N	322.365	1.478	50	20	DDGD	
CCn1ncc(Cl)c1C(=O)NNC(=O)CCc1ccccc1	857091419	GYXGNRRYCRQVOF-UHFFFAOYSA-N	320.780	1.950	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2cnc(N(C)C)s2)c(O)c1	755654909	MXRLBBRGJSUFLZ-UHFFFAOYSA-N	304.375	1.987	50	20	DDGD	
C[C@]1(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@H]1Br	857247150	PJWJNBDQVMXRFJ-YRGRVCCFSA-N	322.206	1.848	50	20	DDGD	
COC(=O)[C@@H](C)Oc1ccc(C=NNC(=O)NC(C)C)cc1	758375605	WRDCCAASRJOQOA-LLVKDONJSA-N	307.350	1.668	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2CC23CCC3)cc1	759805542	RXSURXRBOOWNEW-AWEZNQCLSA-N	302.374	1.965	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@]2(C(=O)O)C[C@H]3CC[C@H]2C3)n1	852943793	ZURVYBYWVKMJMW-ZIBATOQPSA-N	304.350	1.428	50	20	DDGD	
Cc1cccc(-n2cc(C(=O)NNC(=O)c3ccccn3)nn2)c1	751282695	NXUPYFQONHVBIS-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
Cc1nnc2n1C[C@@H](C(=O)NNc1cccc(Cl)c1)CC2	750721737	MVNIPXBEBOXFAN-JTQLQIEISA-N	305.769	1.946	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(C)c(Br)c1	755621498	VCXLKRBEBJNNOL-UHFFFAOYSA-N	316.155	1.557	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)CSc1ccc(C)cc1	755050430	YOQCZUOMOWAWQB-GFCCVEGCSA-N	310.419	1.907	50	20	DDGD	
Cc1ccc(O[C@H](C)CNC(=O)NNC(=O)c2cn[nH]c2)cc1	858253757	KQYJXKJWFWELSN-LLVKDONJSA-N	317.349	1.130	50	20	DDGD	
CC(C)C[C@@H](C(=O)NNC(=O)C1CCC1)N1CCCCC1=O	755360012	FPCUNCBXAHHLBC-ZDUSSCGKSA-N	309.410	1.361	50	20	DDGD	
CCc1ccc(C(C)=NNC(=O)[C@@H](C)CN2CCOCC2)o1	752163067	NQXWZIUQESAUGF-LBPRGKRZSA-N	307.394	1.651	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=O)c1cccc(Cl)n1	857325621	DTELBXHWXRJEOE-OUAUKWLOSA-N	324.812	1.757	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1cccc(C(=O)OC)c1C	855627029	FIZWNMMDSZJIQT-LBPRGKRZSA-N	324.377	1.666	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCC(F)(F)C[C@@H]2C)n1	858411467	JUZYLYAGJYDQNM-JTQLQIEISA-N	312.320	1.864	50	20	DDGD	
COCCN(CC(=O)OC)C[C@H](CBr)C1CC1	859140735	UPNCKXCUOBNDES-NSHDSACASA-N	308.216	1.529	50	20	DDGD	
O=C(NNC(=O)c1cccn1Cc1ccncc1)c1ccncc1	751283170	YVCHUPBACPIEAQ-UHFFFAOYSA-N	321.340	1.401	50	20	DDGD	
CN(C)C(=O)NN=Cc1nc2ccccn2c1Br	755674468	YERITUYWQZFVKI-UHFFFAOYSA-N	310.155	1.702	50	20	DDGD	
C[C@@]1(CNC(=O)N[C@H]2CCCC[C@@H]2O)C[C@@H]1Br	856951939	HTKZYAJZDPKPBT-GMOBBJLQSA-N	305.216	1.763	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)C2[C@@H]3CCCCCC[C@@H]23)n1	854231666	IXSKBZSQTPMGPD-ZIAGYGMSSA-N	318.421	1.864	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc2nc(CC)c(CC)nc2c1	920858595	LYXMFGHSTBFGLH-UHFFFAOYSA-N	315.377	1.719	50	20	DDGD	
CCCn1nccc1C(=O)NNC(=O)c1ccc(C)cc1O	857007782	UNMURKULKJCEAQ-UHFFFAOYSA-N	302.334	1.382	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@H](CO)Cc1ccccc1	753355702	RQJZVUCACFOKMP-AWEZNQCLSA-N	305.378	1.111	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc2nc(C(F)F)[nH]c2c1	854923574	ANJOVXJIDWQRSO-UHFFFAOYSA-N	313.333	1.581	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](C(=O)NNC(=O)c2cccc(Cl)n2)C1(C)C	857323362	KKPMNZLGKTVWHX-VHSXEESVSA-N	323.780	1.747	50	20	DDGD	
CN1CC[C@H](N(C)C(=O)NC[C@@]2(C)C[C@H]2Br)C1=O	856956737	UGCVATJYHLYJMJ-YGOYTEALSA-N	318.215	1.032	50	20	DDGD	
COc1nccnc1NNC(=O)N[C@@](C)(C1CC1)C(F)(F)F	933580651	IJLQXHVUGOTIFR-NSHDSACASA-N	319.287	1.842	50	20	DDGD	
C[C@H]1CN(C(=O)NC[C@@]2(C)C[C@@H]2Br)C[C@@H](C)O1	856902422	GQQFGFRFKHXJHS-MIZYBKAJSA-N	305.216	1.979	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccc(OCC(F)(F)F)nc1	753945524	HHEVVFLRKVWAQH-UHFFFAOYSA-N	318.255	1.585	50	20	DDGD	
Cc1cnc(COCC(=O)NC[C@]2(C)C[C@@H]2Br)o1	857387002	BVQXBFWHPADYQX-CABZTGNLSA-N	317.183	1.789	50	20	DDGD	
O=C(NN=C1CCc2cc(F)c(Cl)cc21)C(=O)NC1CC1	863076043	FTLCKOBKYXLSCN-UHFFFAOYSA-N	309.728	1.524	50	20	DDGD	
Cc1cc(OCC(=O)NN[C@H](C)C(F)(F)F)ccc1[N+](=O)[O-]	862316763	GQFMNEWTNKLTDQ-MRVPVSSYSA-N	321.255	1.854	50	20	DDGD	
O=C1CCc2ccc(S(=O)(=O)NCC(Cl)Cl)cc21	867468684	NSRAXJHWMNFXKG-UHFFFAOYSA-N	308.186	1.898	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)C(=O)Nc2cnn(CCF)c2)c1	861817877	NNKHFFSTBOSQKQ-UHFFFAOYSA-N	319.340	1.551	50	20	DDGD	
CCOc1cccc(NC(=O)C(=O)NNC(=O)C2CCCC2)c1	764078116	YPIRCFBZDLIGFT-UHFFFAOYSA-N	319.361	1.361	50	20	DDGD	
C[C@H](NNC(=O)c1ccc2c(c1)NC(=O)CO2)C(F)(F)F	862304826	FXVQILUGBWHFQM-LURJTMIESA-N	303.240	1.203	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)OC[C@H]2COC(=O)O2)cc1	763872923	UYQVUZGFOFUFFD-VKUYVZBCSA-N	303.270	1.681	50	20	DDGD	
COC(=O)[C@@H](O)CNC(=O)CCCC[C@H]1CCSS1	763260406	QAPLTMUFVCFXCO-UWVGGRQHSA-N	307.437	1.351	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@@H]1CCN(C2CCCCC2)C1=O	765876685	CCLBAZAKJNTIJQ-CYBMUJFWSA-N	322.409	1.051	50	20	DDGD	
Cc1nnc(NNC(=O)c2cc(F)cc3cccnc23)nc1O	768295712	JZMSACISSUJLQT-UHFFFAOYSA-N	314.280	1.330	50	20	DDGD	
Cn1cc(C(=O)NNc2ccnc(F)c2)c2ccccc2c1=O	760490655	BRUKDBFCWGDTQB-UHFFFAOYSA-N	312.304	1.830	50	20	DDGD	
COCCOc1cncc(C(=O)NN[C@H](C)C(F)(F)F)c1	862320822	WADWGWHPMQWSHP-MRVPVSSYSA-N	307.272	1.292	50	20	DDGD	
COc1ccc(N2CCC(=NNC(=O)c3cn[nH]c3)CC2)cc1	863154714	JTAVAEXJBBROJF-UHFFFAOYSA-N	313.361	1.805	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)c2c[nH]c3ccccc23)nn1	766328486	CVFVBQMDYWEGGX-UHFFFAOYSA-N	312.333	1.244	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)c1csc(CO)n1	865142188	BDRHQWRQURGTIR-UHFFFAOYSA-N	319.386	1.419	50	20	DDGD	
N#C/C(=C/c1ccccc1)C(=O)OCC(=O)NC[C@H]1CCCO1	864095516	OXZZGQUUGRUMLT-KQGZCTBQSA-N	314.341	1.432	50	20	DDGD	
N#C/C(=C/c1cn(C[C@@H]2CCCO2)nn1)C(=O)NC1CCCC1	865216888	DXZUGVUUWCPTQO-PINLSGDHSA-N	315.377	1.423	50	20	DDGD	
COc1cccc(C(C)(C)C(=O)NNC(=O)c2ccnnc2)c1	868930188	LXTJAQDFNRLWKF-UHFFFAOYSA-N	314.345	1.224	50	20	DDGD	
COc1ccc(OC)c(CC(=O)NN[C@H](C)C(F)(F)F)c1	862304619	DIHAVRYIUGDIBT-MRVPVSSYSA-N	306.284	1.818	50	20	DDGD	
Nc1ncccc1C=NNC(=O)c1cc(Br)c[nH]1	764669034	HLUXGYHKTUMBSE-UHFFFAOYSA-N	308.139	1.518	50	20	DDGD	
C[C@@H](c1ccccc1F)[C@H](O)C(=O)NNC(=O)c1cccn1C	864594113	NYDZKXWFOSBONF-HZMBPMFUSA-N	319.336	1.090	50	20	DDGD	
O=C(/C=C\c1cccs1)NNC(=O)c1n[nH]c2c1CCCC2	1118517679	FOAMLJBYYXSIBX-FPLPWBNLSA-N	316.386	1.824	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCC[C@@H](O)COCc1ccccc1	863775457	NFGLMANYESOQQJ-ASNKMWSDSA-N	318.373	1.514	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1cccnc1Br	872383155	ACMFEOYJNLWTKY-SCZZXKLOSA-N	312.167	1.719	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cnc(O)c([N+](=O)[O-])c1	770622611	RYHMTGWYUOFEBM-UHFFFAOYSA-N	319.233	1.361	50	20	DDGD	
CCn1ncc(C(=O)NNc2cc(C)nc(C)n2)c1C1CC1	878897207	GXMBGVHSBQBHBS-UHFFFAOYSA-N	300.366	1.944	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNc1ccnc(Br)c1	771540322	IWIHAQJSLVNAHY-ZETCQYMHSA-N	316.155	1.486	50	20	DDGD	
O=C(NNc1ccc(F)cn1)[C@@H]1CCCN1c1ncccn1	874647622	YOQZRLSAAPGGID-NSHDSACASA-N	302.313	1.123	50	20	DDGD	
C[C@H](Sc1nnnn1C1CC1)C(=O)NNc1ccc(F)cn1	874651673	RZMGOTNMYNZMLF-ZETCQYMHSA-N	323.357	1.166	50	20	DDGD	
CC(C)c1ccc(C2(C(=O)NNC(=O)CO)CCCC2)cc1	879395359	HSSWUUQVBHQPLI-UHFFFAOYSA-N	304.390	1.762	50	20	DDGD	
CSc1ccc(NC(=O)NNC(=O)C2CCOCC2)cc1	878092128	ORVCZJXRNHKSPC-UHFFFAOYSA-N	309.391	1.988	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1cc2c([nH]1)CCCC2	874956125	LYEHIMRMMQAATQ-UHFFFAOYSA-N	315.402	1.920	50	20	DDGD	
O=C(NNc1nccc(N2CCOCC2)n1)C1(F)CCCC1	776173326	QSANRERSUMVDPS-UHFFFAOYSA-N	309.345	1.039	50	20	DDGD	
CCS(=O)(=O)C1CCN(C[C@@H](C)CBr)CC1	770033734	DSCOYDMVTKJGSZ-JTQLQIEISA-N	312.273	1.917	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@@H](C)c1cccc(F)c1	772138388	WOJIFCVYNBQURP-MNOVXSKESA-N	324.352	1.808	50	20	DDGD	
CCOc1nc(C(=O)NNC(=O)COCc2ccccc2)co1	773086565	GVUFNKLVPNYZTE-UHFFFAOYSA-N	319.317	1.051	50	20	DDGD	
CC1=CCC[C@@H](C)[C@H]1C=NNC(=O)Cc1cc(O)nc(O)n1	773202872	DOMNKQOHCYJYMQ-PWSUYJOCSA-N	304.350	1.525	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CSc2ccccc21	772141273	XEMQPODGSOHIGI-KOLCDFICSA-N	322.386	1.365	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCCCC1)c1cnn(C)c1C	778540538	QYKJYCKKAFSFJI-LBPRGKRZSA-N	305.426	1.691	50	20	DDGD	
CN(C)[C@H]1CCCC(=NNC(=O)Cc2cn3ccccc3n2)C1	788434927	YJFYHQLKNVDYPF-HNNXBMFYSA-N	313.405	1.853	50	20	DDGD	
O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12)NNC(=O)c1cccnn1	883522420	OVYFFAFDPIPXGD-GZBFAFLISA-N	323.356	1.007	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)CCCCl)C[C@@]2(CCCOC2)O1	882148910	BGOAYETXGYBWKN-NWDGAFQWSA-N	311.831	1.215	50	20	DDGD	
C[C@@H](OC(=O)/C(C#N)=C\c1ccccc1)C(=O)Nc1ncccn1	785351757	WEAFIIVISQWCJO-XTCQQWIJSA-N	322.324	1.954	50	20	DDGD	
Cc1n[nH]cc1CCCNC(=O)NNc1ncncc1Cl	780171319	KSCFWZIMZKBPAV-UHFFFAOYSA-N	309.761	1.420	50	20	DDGD	
O=S(=O)(CCCCl)N[C@H]1CS(=O)(=O)c2ccccc21	882008609	WKAPHKODBDJWCN-JTQLQIEISA-N	323.823	1.063	50	20	DDGD	
COc1cccc(NNC(=O)CCCn2ccccc2=O)n1	780772077	SQQGWGHVUZEHOH-UHFFFAOYSA-N	302.334	1.175	50	20	DDGD	
Cc1noc(C)c1NC(=O)C(=O)NNc1ccc(F)cc1F	783347658	UEUXXTHPIXTFDB-UHFFFAOYSA-N	310.260	1.651	50	20	DDGD	
CN(C)c1cc(C(=O)NN=C2CCC[C@H](N(C)C)C2)ccn1	788428791	BLALEDQMJKFASU-AWEZNQCLSA-N	303.410	1.738	50	20	DDGD	
CO[C@@H]1CN(C(=O)NC[C@@]2(C)C[C@H]2Br)CCO1	895921721	FALWLRQOWIUVDR-WCABBAIRSA-N	307.188	1.174	50	20	DDGD	
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NNC(=O)CC1CCCC1	893801490	HMTAIVAFONLIGB-QWHCGFSZSA-N	310.394	1.694	50	20	DDGD	
Cn1cc(-c2ncccc2NC(=O)NNC(=O)C(C)(C)C)cn1	786211401	XSPCIJBXVKONFI-UHFFFAOYSA-N	316.365	1.681	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)cc1F	780364603	CIQFODCGDHWUIK-UHFFFAOYSA-N	314.260	1.564	50	20	DDGD	
CSC[C@](C)(O)CNS(=O)(=O)c1ccc(CCl)cc1	388826661	UOHGYGBAUGSUEJ-GFCCVEGCSA-N	323.867	1.818	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCC[C@H]1[C@H](O)C(F)(F)F	780790863	APNOBMGGBUSSGU-IUCAKERBSA-N	323.764	1.723	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H](C)[C@H]2CCOC2)c1	780835659	WPQVTZFCRQKVHF-PWSUYJOCSA-N	307.350	1.524	50	20	DDGD	
COCc1ccc(CNS(=O)(=O)CBr)cc1	272782782	HZYOKVFAAKMWAR-UHFFFAOYSA-N	308.197	1.605	50	20	DDGD	
Cc1cccc(CC(=O)NNC(=O)Cc2cccnc2)c1Cl	792593440	ZASNDIODDQJEFC-UHFFFAOYSA-N	317.776	1.976	50	20	DDGD	
CC(=NNC(=O)c1cccnc1)c1cccc(N2CCC2=O)c1	794854096	AZIBDNSQODMCEO-UHFFFAOYSA-N	308.341	1.972	50	20	DDGD	
C[C@@H](CNC(=O)[C@H](Br)C(C)(C)C)c1nncn1C	797757815	LLMZWQOGGPRGQY-IUCAKERBSA-N	317.231	1.844	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1[nH]nnc1-c1ccccc1	797711366	JUGAYOPTLPMRCR-UHFFFAOYSA-N	302.338	1.216	50	20	DDGD	
COc1ccc(NNC(=O)CCc2ccccc2C(N)=O)nc1	792449780	DGDZMCDBSCQBNC-UHFFFAOYSA-N	314.345	1.265	50	20	DDGD	
N#C/C(=C/c1ccccc1)C(=O)OC[C@H]1CCCS(=O)(=O)C1	792184752	VIMFRZDOXAVNHH-WJQTUHTMSA-N	319.382	1.962	50	20	DDGD	
O=C(NCCCc1ccccc1F)NNC(=O)c1ccc[nH]1	793465527	CJEMQNHUXHXDPV-UHFFFAOYSA-N	304.325	1.731	50	20	DDGD	
CC(C)(C(=O)NNC(=O)C(=O)c1ccccc1)c1ccccc1	792156826	JUQBGNIMLQCITG-UHFFFAOYSA-N	310.353	1.995	50	20	DDGD	
COc1c(F)ccc(F)c1C(=O)NNc1nc2ccccn2n1	791257888	OZYNKPYODVYAMV-UHFFFAOYSA-N	319.271	1.773	50	20	DDGD	
N#C/C(=C/c1cn(Cc2cccnc2)nn1)C(=O)[C@@H]1CCCOC1	794954962	XFKNDXIJSHLGMR-UMJDEASPSA-N	323.356	1.624	50	20	DDGD	
CCN(C)c1ccc(C(C)=NNC(=O)C[n+]2ccccc2)cc1	794455356	DYBMGVROOLUSIY-UHFFFAOYSA-O	311.409	1.971	50	20	DDGD	
COC(=O)N(C)N=C1C(=O)Nc2cc(OC(F)(F)F)ccc21	794958251	PYVFTYJVSLKEPN-UHFFFAOYSA-N	317.223	1.940	50	20	DDGD	
CC(C)(C)n1cc(C=NNC(=O)CNc2ccccc2F)nn1	790143967	DINLMSUGJLSZLF-UHFFFAOYSA-N	318.356	1.734	50	20	DDGD	
CS[C@@H]1CC[C@@H](NC(=O)NNc2nc3ccccn3n2)C1	790399616	RGNVIBSWZVJMGW-NXEZZACHSA-N	306.395	1.640	50	20	DDGD	
CSSCCNC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1	790846431	FNXKZURWQKYMAH-SECBINFHSA-N	305.469	1.696	50	20	DDGD	
O=C(COC(F)F)NNC(=O)c1cccc(Br)c1	796729235	UORIPKMHSCVJEY-UHFFFAOYSA-N	323.093	1.449	50	20	DDGD	
C=C(CBr)COC(=O)[C@H]1CCc2nnc(C)n2C1	795561186	IBPYFSTXGUEQFL-JTQLQIEISA-N	314.183	1.643	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NNC(=O)c1cncn1-c1ccccc1	1319025468	MYLUOPZZDBMHJR-JSGCOSHPSA-N	314.345	1.058	50	20	DDGD	
CC(=NNC(=O)C[n+]1ccccc1)c1cccc(CN(C)C)c1	1324245695	VRSMOUWDJSNWAE-UHFFFAOYSA-O	311.409	1.576	50	20	DDGD	
Cc1nnc(SCC(=O)NNC(=O)Cc2ccccc2C)o1	1323927354	BGDKJXDYPIFOGO-UHFFFAOYSA-N	320.374	1.169	50	20	DDGD	
COc1cccc(CC(=O)N2CCN(C(=O)CCl)CC2)c1	1336909825	GNGKOGDRGQHZHO-UHFFFAOYSA-N	310.781	1.147	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1nccc(Cl)c1F)C1CC1	1334457338	BYQNXHPBOBQFOX-LURJTMIESA-N	316.789	1.782	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C2(C(C)(F)F)CC2)cc1	1330702794	DZJHRASRAORQCR-UHFFFAOYSA-N	312.316	1.957	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NC/C=C\C2CC2)cc1	1349522172	OOSFCIVCSRRXFD-IHWYPQMZSA-N	303.362	1.994	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NNc2nncc(N)c2Cl)C1	1351284672	SCTIXLDAOWRVFK-POYBYMJQSA-N	321.772	1.245	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)C1=C[S@@](=O)CCC1	1601559070	KDFMQGQAQPQNRO-NRFANRHFSA-N	312.322	1.393	50	20	DDGD	
COCc1csc(C(=O)NNc2ncccc2C(=O)O)c1	1604648641	JOHXJYCQQGZOSX-UHFFFAOYSA-N	307.331	1.745	50	20	DDGD	
Cn1c(=NNC(=O)c2cc(C(=O)O)co2)sc2ccccc21	1600893640	NYOXSUYYPYZCIO-UHFFFAOYSA-N	317.326	1.777	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(F)c(C(=O)O)c1)c1ccn(C)n1	1609768444	ODOJTUYVGNQOLZ-QMMMGPOBSA-N	321.312	1.645	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)C1=C[S@](=O)CCC1	1601559071	KDFMQGQAQPQNRO-OAQYLSRUSA-N	312.322	1.393	50	20	DDGD	
CC[C@@H]1COCC1=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccnn1C	1549312113	ALINYRYDUFPQDR-JMSVASOKSA-N	320.393	1.416	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@H]1C=NNC(=O)c1cc[nH]n1	1552454864	RHCJJOSMOLLGNB-JQWIXIFHSA-N	302.338	1.027	50	20	DDGD	
C[C@H](C(=O)O)c1ccc(NC(=O)NNC(=O)c2cc[nH]n2)cc1	1589511439	COTUBVLGIQDSQP-QMMMGPOBSA-N	317.305	1.064	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)S	1847868242	XRQCEUCTMKKRJM-RHYQMDGZSA-N	318.870	1.914	50	20	DDGD	
CC(C)c1nocc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1589779505	COSNLRFZLVXFEL-UHFFFAOYSA-N	313.321	1.735	50	20	DDGD	
O=C(/C=C/[C@@H]1CCCNC1)NNC(=O)c1cccc(Cl)c1	1580494763	VLYHKANMWJXONO-MLRMMBSGSA-N	307.781	1.657	50	20	DDGD	
O=C(NNC(=O)[C@@H]1NCCc2occc21)c1ccc(Cl)cc1	1580735801	FGSAWPPVALSSQV-CYBMUJFWSA-N	319.748	1.581	50	20	DDGD	
Nc1cc(F)cc(CNC(=O)NNc2ccc(Cl)nn2)c1	1580435055	ORQYLCYKHDZLJS-UHFFFAOYSA-N	310.720	1.678	50	20	DDGD	
C[C@@](Cl)(CCl)C(=O)N1CCCC12CN(C(=O)CC#N)C2	1845169885	MQDXJHHHJCFUDY-GFCCVEGCSA-N	318.204	1.340	50	20	DDGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)[C@@H]1CSCN1	1580737736	XHOWSEDAULDOEL-VIFPVBQESA-N	316.839	1.320	50	20	DDGD	
COc1cnc(F)c(C(=O)NNc2ccc(C(=O)O)c(F)c2)c1	1599724156	DKSUOWUYCYUEMQ-UHFFFAOYSA-N	323.255	1.824	50	20	DDGD	
CC1(C)OC[C@H]2C[C@]21C(=O)NNc1ccc(F)c(C(=O)O)c1	1593975281	AOKSBGKPCYTWGQ-ANRSDYALSA-N	308.309	1.782	50	20	DDGD	
C[C@H](Oc1cccnc1)C(=O)NNc1ccc(C(=O)O)c(F)c1	1593656123	RHMZCIFEAFKKSH-VIFPVBQESA-N	319.292	1.830	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)O)CC=CC1)c1cc2c(s1)CCC2	1594779136	JEJGEFVKJXADPC-UHFFFAOYSA-N	320.370	1.419	50	20	DDGD	
CC[C@@H]1C[C@H](NC(=O)NNc2ccc(CC(=O)O)cc2)CCO1	1595413215	JPORFYMPNYOHOZ-ZIAGYGMSSA-N	321.377	1.897	50	20	DDGD	
Cc1cncc(/C=C/C(=O)NNc2ccc(-c3nn[nH]n3)cn2)c1	1592298281	CGABGJMMTVEXAS-GORDUTHDSA-N	322.332	1.122	50	20	DDGD	
C[C@@H](Sc1ccccc1C(=O)NNC(=O)CC1CC1)C(=O)O	1593672188	JXQYMYTWKYSUGD-SECBINFHSA-N	322.386	1.813	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H](C(=O)NNc2ccc(C(=O)O)c(F)c2)C1	1598897879	MLDFEEHZVPSYQL-DTWKUNHWSA-N	324.308	1.556	50	20	DDGD	
C[C@@]1(CNc2cccnc2-c2nn[nH]n2)C[C@@H]1Br	1590136393	UXGIXRVBEGFSNK-KWQFWETISA-N	309.171	1.847	50	20	DDGD	
CC(CCC(=O)O)=NNC(=O)c1nn(-c2ccccc2)cc1O	1592470362	KNSKMRWZQBRAFS-UHFFFAOYSA-N	316.317	1.548	50	20	DDGD	
CCn1cc(CC(=O)NNc2ccc(C(=O)O)c(F)c2)cn1	1597884514	PDONJGAGZGLYJF-UHFFFAOYSA-N	306.297	1.426	50	20	DDGD	
CC(C[C@H]1CCCC(=O)N1)=NNC(=O)c1ccc(C(=O)O)cc1	1776101060	OWHFQZMDBCAVLQ-CYBMUJFWSA-N	317.345	1.549	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1sccc1C(=O)O	1776029428	QNYYQJSYOVPCSV-UHFFFAOYSA-N	310.360	1.557	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1c[nH]c2c(C(=O)O)cccc12	1776077943	OLQGWPQNERLPFP-UHFFFAOYSA-N	323.312	1.839	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=Cc1ccc(O[C@@H](C)C(=O)O)cc1	1776102286	LSDTZRQFUVSAJZ-LEWSCRJBSA-N	320.345	1.414	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccc(F)c2)c(OC)c1	17083851	GQOQXOMGFNFXFI-UHFFFAOYSA-N	318.304	1.918	50	20	DDGD	
COCCN1C[C@@H](C(=O)NNc2cc(C)ccc2F)CC1=O	150799512	OZLYNVXZJLAAMD-NSHDSACASA-N	309.341	1.072	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN[C@@H]1CCCC[C@@H]1C	162416856	AKLGQRNGZAYWLM-GOEBONIOSA-N	317.433	1.853	50	20	DDGD	
CCCCN1CCC(NC(=O)NNc2nccc(OC)n2)CC1	158661949	BLEZNBNJOLJIBA-UHFFFAOYSA-N	322.413	1.376	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)c1	158678268	YPDJTCUIKBLRKK-CQSZACIVSA-N	318.421	1.157	50	20	DDGD	
CN(C[C@@H]1COCCO1)S(=O)(=O)c1ccc(CCl)cc1	917360042	YDORWVOPHOCUSX-GFCCVEGCSA-N	319.810	1.461	50	20	DDGD	
O=S(=O)(CCCCl)N1CC[C@H](CN2CCCCC2)C1	881941922	QZRLOMFEDPTZRI-CYBMUJFWSA-N	308.875	1.753	50	20	DDGD	
CCc1cnc(CN(C)S(=O)(=O)CBr)s1	272770414	FEAOWMUUTOPYBW-UHFFFAOYSA-N	313.242	1.820	50	20	DDGD	
C[C@H]1OCCC[C@@H]1C(=O)NCCSSCCC(=O)O	2088603981	OLMAIIYEMKXGBO-ZJUUUORDSA-N	307.437	1.774	50	20	DDGD	
CCNC(=S)NNC(=O)Cc1nc(-c2ccccc2)cs1	7461240	CESPJHWZZMUILW-UHFFFAOYSA-N	320.443	1.868	50	20	DDGD	
CCOc1ccc(CCC(=O)NNC(=O)Cc2cc[nH]n2)cc1	106417333	LNYDQCSNGYOGHF-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCOC1)c1cnn(-c2ccccc2)c1	112825259	GOYVINGKMIZNPQ-LBPRGKRZSA-N	314.345	1.060	50	20	DDGD	
COCC[C@H](C)NC(=O)NNC(=O)c1cccc2ncccc12	106553523	DTWPHNNMOXZHFP-NSHDSACASA-N	316.361	1.604	50	20	DDGD	
COc1ccccc1CCC(=O)NNC(=O)c1ccc(C#N)cc1	61474466	LPNISRGBYNFLIM-UHFFFAOYSA-N	323.352	1.961	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)o1	173634360	MZUFXXARFLNBDY-VIFPVBQESA-N	321.308	1.659	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cccc(CN2CCOCC2)c1	178960386	DXEKAGIAROSVDL-FYWRMAATSA-N	315.373	1.901	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCc1ccc(OC)c(F)c1	64426767	ZHHWJBYKTDQIQB-UHFFFAOYSA-N	311.357	1.897	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCO[C@H](c2ccccc2F)C1	111217050	YLNMXNMYPAOLAO-RISCZKNCSA-N	323.368	1.145	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(C)n(-c2ccccn2)c1C	65190004	OIUQOWBMCFOHIL-UHFFFAOYSA-N	301.350	1.453	50	20	DDGD	
C=CCOc1cc(OC)ccc1C(=O)NNC(=O)c1ccc[nH]1	124862163	KRNBPNSIXVRPAD-UHFFFAOYSA-N	315.329	1.663	50	20	DDGD	
CS[C@H](CO)[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(O)cc1	185862606	VZRFHGKUCBCQME-GONRPIDOSA-N	306.387	1.528	50	20	DDGD	
CN(CC1(N(C)C)CCC1)C(=O)NNC(=O)c1ccccc1	189640865	XURLZTZPDURUET-UHFFFAOYSA-N	304.394	1.457	50	20	DDGD	
CCN1CCCC[C@@H]1CNC(=O)NNc1nc2ccccn2n1	188821754	MGAKSFQOOPTHDI-GFCCVEGCSA-N	317.397	1.230	50	20	DDGD	
O=C(NNc1ccccn1)c1ccc2c(=O)[nH]c(S)nc2c1	181911367	UVJHSSVOZJZCQI-UHFFFAOYSA-N	313.342	1.364	50	20	DDGD	
CCCCCS(=O)(=O)CC(=O)NNc1ccc(F)cc1	76196680	FBTAKPACNYUAEV-UHFFFAOYSA-N	302.371	1.874	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)Cc2cc[nH]n2)cc1F	184500280	NJBWQPAJXRDFJK-UHFFFAOYSA-N	321.312	1.343	50	20	DDGD	
CN(C)C(=O)CNC(=O)NNc1c(Cl)cc(F)cc1Cl	128561550	XLNWRMDOJHVFQG-UHFFFAOYSA-N	323.155	1.847	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCCCOC)c1ccc(F)cc1	123767193	WRMXYPCBJNOYGC-ZDUSSCGKSA-N	311.357	1.686	50	20	DDGD	
O=C(NNc1nnc(C2CC2)s1)c1cc([N+](=O)[O-])ccc1O	184482882	STIMDOBQAGRVCW-UHFFFAOYSA-N	321.318	1.786	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNc1cc(Cl)ccn1	183015017	FECKJKFAKLCVFL-NSHDSACASA-N	310.785	1.969	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@H](C)CS(C)(=O)=O	181303576	XHVWCISHWCMVRE-LLVKDONJSA-N	321.402	1.667	50	20	DDGD	
Cc1cccc(C(=O)NNc2ccc(C(N)=O)nn2)c1Cl	134158620	QVHSTILXDJXLLW-UHFFFAOYSA-N	305.725	1.294	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cc(F)c(C)cc2F)n1	132039408	NIJNTMJEMKGVSX-UHFFFAOYSA-N	322.315	1.548	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cncc(-c2ccccc2)c1	135418187	UQBWUBWJOORVLN-UHFFFAOYSA-N	321.340	1.855	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CSCc2ccccn2)o1	84373812	DHIBWRCDEWJAGR-UHFFFAOYSA-N	305.359	1.677	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(NC(C)=O)cc(C(F)(F)F)c1	131671074	MUTCBISRTOTNML-UHFFFAOYSA-N	318.255	1.238	50	20	DDGD	
COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NC=C(C#N)C#N	131261732	SMDWEEYFNLNQQJ-VIFPVBQESA-N	316.292	1.460	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)C(=O)c1ccc2c(c1)CCC2	194338639	YUKRGEONYHVCQD-UHFFFAOYSA-N	309.325	1.214	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)o1	42237037	RKBCNMSWPATHCQ-UHFFFAOYSA-N	312.329	1.478	50	20	DDGD	
CCN(CC)CCNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	192749046	FDNWBCATEKNZHL-OQLLNIDSSA-N	313.405	1.570	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C(=O)N1CCc2c(F)cccc21	190304314	HUOOMWNJCGVBNL-UHFFFAOYSA-N	318.283	1.392	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)[C@H]1CCCc2cccnc21	193225855	JQNRMUJULDYLNF-JTQLQIEISA-N	309.333	1.311	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NCC(F)(F)F	46916835	JEYUPXORTGSTGU-UHFFFAOYSA-N	319.283	1.521	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCOc1cc(C)ccc1C	41961497	ZVTLQBCLKWUJSC-UHFFFAOYSA-N	307.419	1.754	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccnc(F)c2F)cc1	194203483	KYHPITUMCSZFTD-UHFFFAOYSA-N	302.240	1.306	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1cc2ccccc2[nH]c1=O	195213010	LAEGPAUHPUZRMX-UHFFFAOYSA-N	313.357	1.869	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1	192930640	QOXMWZPOUZBWIU-YUMQZZPRSA-N	316.279	1.126	50	20	DDGD	
CN(C)C(=O)COc1ccccc1/C=C(\C#N)C(N)=C(C#N)C#N	194335662	LAVDHBVPRAUWRL-NTUHNPAUSA-N	321.340	1.321	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccccc1)N(C)CC(F)(F)F	192117810	ABIDMPXKXQCJEK-VIFPVBQESA-N	303.284	1.330	50	20	DDGD	
COC(=O)NNC(=O)Nc1cccc(NC(=O)[C@H](C)OC)c1	142556810	SCSCCNVUTQAXRU-QMMMGPOBSA-N	310.310	1.053	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cn(C)nc1-c1cccs1	255038776	QZMVHGWQQGZJPG-FLIBITNWSA-N	316.386	1.818	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@H]1CCOC2(CCC2)C1	269040606	CHBPGEQRWKVACM-ZDUSSCGKSA-N	303.362	1.732	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CCCNC(=O)c1cccnc1	269344217	JXJVAMLVFBBAAO-UHFFFAOYSA-N	322.365	1.148	50	20	DDGD	
COCCOc1ccc(NC(=O)NNC(=O)C2CCC2)cn1	264685863	CALSNFGJFBNNHB-UHFFFAOYSA-N	308.338	1.060	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)COc1ccc(F)cc1	266201460	BAPAMTFELJIYGS-UHFFFAOYSA-N	310.325	1.335	50	20	DDGD	
CCC(CC)n1ccc(C(=O)NNc2nccc(OC)n2)n1	269308180	MUICEYZVHMOUTP-UHFFFAOYSA-N	304.354	1.800	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc2c(c1)NC(=O)CCN2C	266844925	QGHDLIZENRKHRD-UHFFFAOYSA-N	318.377	1.272	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNC(=O)CC1=CCCCC1	264368989	QLIYJNGWKWZINV-UHFFFAOYSA-N	321.402	1.516	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	268120089	BIDWPBUJDQQLPB-SSDOTTSWSA-N	315.713	1.891	50	20	DDGD	
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)C1CCC1	264786553	RAKHHUMMFYSEER-VIFPVBQESA-N	323.780	1.406	50	20	DDGD	
O=C(NNC(=O)c1cccc2[nH]c(=O)oc12)NC1CCCC1	269688890	DWNQATOQLHSZJD-UHFFFAOYSA-N	304.306	1.008	50	20	DDGD	
C#CCSCCNC(=O)NNC(=O)c1ccccc1OC	265791692	QSANZKABERWNHG-UHFFFAOYSA-N	307.375	1.006	50	20	DDGD	
COc1cccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)c1OC	264037269	HBHLQTPMMLPHME-VIFPVBQESA-N	323.418	1.611	50	20	DDGD	
Cc1cccc(C(=O)N[C@H](C)C(=O)NNC(=O)C2CCC2)c1	264925482	LRQKTSKXOXHZCQ-LLVKDONJSA-N	303.362	1.061	50	20	DDGD	
C[C@H]1Oc2ccccc2N(CC(=O)N2CC=C(C#N)CC2)C1=O	271181472	YVQJPIZZLBDTRX-GFCCVEGCSA-N	311.341	1.483	50	20	DDGD	
C[C@H](C(=O)NNc1ccccc1F)n1nnnc1C(C)(C)C	273493654	TWEXBIUSCCOYDG-SECBINFHSA-N	306.345	1.814	50	20	DDGD	
O=C1CCC[C@@H](C(=O)NNc2cccc(Br)c2)N1	270594394	YQLBYXLGOPGGLQ-JTQLQIEISA-N	312.167	1.561	50	20	DDGD	
CN(C)c1noc(CCC(=O)NNc2ccccc2[N+](=O)[O-])n1	275228158	DOJIJFHYYDGYJO-UHFFFAOYSA-N	320.309	1.120	50	20	DDGD	
CC[C@H](C)Oc1ccc(NC(=O)C(=O)NNC(=O)OC)cc1	274202578	LYJBFEKZHLVCKU-VIFPVBQESA-N	309.322	1.190	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C[C@](C)(O)c1ccccc1	272690068	VNABBXAEWUAOOY-INIZCTEOSA-N	301.346	1.084	50	20	DDGD	
C[C@](O)(CNC(=O)/C(C#N)=C\c1ccc(O)cc1)C(F)(F)F	279937725	RHSYTDOOWZRNSD-HKBVPSITSA-N	314.263	1.729	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CC[C@@H]2CC[C@H](C)O2)nc1	270358502	FTXCCXRNUKAMGJ-JQWIXIFHSA-N	307.350	1.659	50	20	DDGD	
COc1ccc(C(=O)C(=O)NNC(=O)C2CCC2)cc1Cl	274276187	XPEYQHLWXZMFMI-UHFFFAOYSA-N	310.737	1.479	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@H](C)CSC)nc1C	272185312	MHOGYHUTQKBDHV-MRVPVSSYSA-N	312.395	1.404	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1C[C@]12CCCc1ccccc12	378553846	VEAXHGPDNXZSRQ-YOEHRIQHSA-N	301.390	1.973	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H]1CCCN1c1ccccc1	375757930	UDVZBQRWPBTWED-CQSZACIVSA-N	320.393	1.022	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNC(=O)N(C)C)cc1OC	272909311	LSIUSMRRLWOLAL-SNVBAGLBSA-N	309.366	1.185	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1cc(Cl)ccc1F	283812248	IRHGLQWHOYTITH-UHFFFAOYSA-N	308.762	1.835	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H]1C(=O)NNc1ccc(OC(F)F)cc1	285718103	JCGNESATTBKLQK-GHMZBOCLSA-N	314.288	1.930	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)c1cccc(C)n1)c1ccco1	280437546	XWOJHZJKPUVWMU-GFCCVEGCSA-N	318.333	1.315	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@](C)(O)CCc2ccccc2)n1	282658193	HVMLVWHXSLRVDU-KRWDZBQOSA-N	314.389	1.920	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1C(=O)NNC(=O)CNC(=O)c1ccco1	280406325	YFRJKJJPOJPZGS-NEPJUHHUSA-N	321.377	1.373	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1sccc1Cl	285576007	HYWPLXBWDVLTEF-UHFFFAOYSA-N	317.798	1.467	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNC(=O)COc1cccc(C)c1	289091490	LKRQJUHPUMMZDR-GFCCVEGCSA-N	322.361	1.111	50	20	DDGD	
O=C(NC[C@H]1CCCSC1)NNC(=O)c1ccccc1O	288021764	QBTIQILBJNLFSB-SNVBAGLBSA-N	309.391	1.479	50	20	DDGD	
C=Cc1ccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1	284006440	VBKXCIYTJBOSDV-AWEZNQCLSA-N	308.403	1.436	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1c[nH]c(C(F)(F)F)c1	295285583	CYBQLOUXOQRXBZ-QMMMGPOBSA-N	305.256	1.364	50	20	DDGD	
Cn1nnc2c(C(=O)NNc3cccc4cnccc34)ccnc21	801177560	XXLJDUPMAOPKSU-UHFFFAOYSA-N	319.328	1.668	50	20	DDGD	
COc1ccc([C@@H](C)NC(=O)NNC(=O)[C@@H]2CCCO2)cc1	291793185	IYCWNYLKDXILFF-MFKMUULPSA-N	307.350	1.266	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)c2ncccc2O)cc1	802121435	CXHSKIWVNHPUEX-UHFFFAOYSA-N	315.333	1.320	50	20	DDGD	
COc1nnccc1NC(=O)NNC(=O)c1cccc(Cl)c1	808902602	XJVBRMKAVRNXLH-UHFFFAOYSA-N	321.724	1.605	50	20	DDGD	
O=C(NCc1ccc([N+](=O)[O-])cc1)NNc1cccc(F)n1	804937700	HVFIJCMFCFODJD-UHFFFAOYSA-N	305.269	1.955	50	20	DDGD	
C[C@H](OCCc1ccccc1)C(=O)NNC(=O)c1cccn1C	294572829	XNGSJLBPCHUGCS-ZDUSSCGKSA-N	315.373	1.434	50	20	DDGD	
Cc1nc(COc2ccccc2C(=O)NNC(=O)C2CC2)no1	294167753	BZXHRBMBDXHDAY-UHFFFAOYSA-N	316.317	1.128	50	20	DDGD	
COCCC1(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)CC1	802118486	CBUYUMOGYBKIJN-UHFFFAOYSA-N	320.393	1.722	50	20	DDGD	
CCOc1ccc(NNC(=O)CCC(=O)N2CCOCC2)cc1	294332791	METCOWYZHIGYGA-UHFFFAOYSA-N	321.377	1.167	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1csc(-c2ccccc2)n1	806732264	POLSPNAOVOFKCV-UHFFFAOYSA-N	320.374	1.999	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNc2cccc(OC)n2)c1C	293472936	MKKQUDJFCUKJEG-UHFFFAOYSA-N	303.366	1.609	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C[C@@H]1CCC[C@@H]1C	807372009	YOMSUXURCMPHNC-RYUDHWBXSA-N	300.399	1.749	50	20	DDGD	
COCCCCC(=O)NNC(=O)c1ccc(Cl)cc1O	299440384	LAHQQGQWHPFNAD-UHFFFAOYSA-N	300.742	1.623	50	20	DDGD	
CN1CCOc2ccc(C(=O)NNc3ncc(F)cn3)cc21	807169949	RFCSKTFYSYIAPE-UHFFFAOYSA-N	303.297	1.201	50	20	DDGD	
Cc1cc(C(=O)NNc2cccc(F)n2)ccc1-n1cnnn1	804768033	KZQVDPACAVJPGW-UHFFFAOYSA-N	313.296	1.262	50	20	DDGD	
Cc1cc2ccccc2n1CC(=O)NNC(=O)[C@@H]1CCCCO1	295661260	VXSJAZLAZCNLAM-HNNXBMFYSA-N	315.373	1.666	50	20	DDGD	
C[C@H]1CCCC[C@H]1C(=O)NNC(=O)COc1ccccc1O	819252801	XUKRBTZPMGKOBA-NWDGAFQWSA-N	306.362	1.745	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)[C@@H](F)C(F)(F)F	815150290	WWGGRKPBIUBTAL-SNVBAGLBSA-N	308.231	1.503	50	20	DDGD	
Cn1c(NNC(=O)c2n[nH]c3c2CCCC3)nc2ccccc21	816576799	JSHJDQIIJXCLMV-UHFFFAOYSA-N	310.361	1.932	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2cnn(-c3ccccn3)c2N)c1	815850806	CXZGFRBCECOARF-UHFFFAOYSA-N	319.328	1.478	50	20	DDGD	
NC(=O)[C@H]1CC[C@H](CNC(=O)NNc2ccc(F)cc2)CC1	817787149	JIXUQQYWNCAWAU-XYPYZODXSA-N	308.357	1.744	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](F)C(F)(F)F)c([N+](=O)[O-])c1	810604876	AEEWUKFPVXDKMS-MRVPVSSYSA-N	311.191	1.947	50	20	DDGD	
CC1(C)CN(/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)C[C@H](CO)O1	817279476	PARYPXKZJGDHSP-UMJDEASPSA-N	317.345	1.931	50	20	DDGD	
CC1(C)CN[C@@H]1C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	829522466	JCAKMRNZWJWXRZ-SNVBAGLBSA-N	321.768	1.831	50	20	DDGD	
C[C@H](Cc1ccco1)NC(=O)NNC(=O)Cc1cccnc1	728945399	RBFMVESYSROFJU-LLVKDONJSA-N	302.334	1.179	50	20	DDGD	
C[C@]1(C(=O)Nc2ccc(-n3nccn3)nc2)C[C@H]1Br	820102867	HBRFRXJDMJWDQJ-SKDRFNHKSA-N	322.166	1.774	50	20	DDGD	
COC[C@@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2nn[nH]n2)s1	821682667	LHQZKNJYMSSOJD-CBVZUMJXSA-N	319.346	1.413	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2ccc(-c3nn[nH]n3)cc2F)o1	822226305	LTKOTXUDJHSEGK-UHFFFAOYSA-N	314.280	1.671	50	20	DDGD	
CC(C)(C)n1cnc(NC(=O)NNC(=O)c2cccc(F)n2)n1	822544269	XZNFJUYYTIVWGJ-UHFFFAOYSA-N	321.316	1.034	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(OCc2ccccc2)ccn1	823953237	ZSPFXOYUVXDZPF-CYBMUJFWSA-N	315.373	1.618	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCC(C)(CO)CO)cc1	491135551	UKWGWGQLJMWBSA-RIYZIHGNSA-N	318.373	1.099	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)N[C@H]2CCC[C@H]2C)c1	729507880	KPYOEKYQJWELMG-YGRLFVJLSA-N	321.377	1.836	50	20	DDGD	
CCc1c(C(=O)NN(CC)CCO)cnn1-c1ccccc1C	823874267	PMXFKCRWVNDVGZ-UHFFFAOYSA-N	316.405	1.702	50	20	DDGD	
Cn1ccc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)n1	727296906	ZMSJSGBYQQNBAM-UHFFFAOYSA-N	316.405	1.788	50	20	DDGD	
O=C(NNc1cccc(F)c1F)c1cc(-c2nn[nH]n2)c[nH]1	823281696	WFNYOJJBXNADFE-UHFFFAOYSA-N	305.248	1.230	50	20	DDGD	
CCCOc1ccc(NC(=O)NNC(=O)c2cc[nH]n2)c(C)c1	820212403	INPOAZMTNYEREV-UHFFFAOYSA-N	317.349	1.973	50	20	DDGD	
Cc1cccc2c1O[C@H](C(=O)NNC(=O)CC(F)(F)F)C2	825504140	QBZPLQJTVPRFTL-VIFPVBQESA-N	302.252	1.398	50	20	DDGD	
CCOC(=O)NN=Cc1ccc(OCCC(=O)O)c(OC)c1	495136734	CYUCGCNAJRNZCV-UHFFFAOYSA-N	310.306	1.629	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2C[C@@H](O)[C@H](OC)C2)cc1	490974444	NGZGCGZIRXMAHB-JVPVSYIYSA-N	316.357	1.210	50	20	DDGD	
CC(C)C(=O)NNC(=O)CNC1(c2ccccc2)CCOCC1	828300420	KIVVMWPIXMMPSV-UHFFFAOYSA-N	319.405	1.085	50	20	DDGD	
C[C@@]1(C(=O)NCc2nc3cccnc3[nH]2)C[C@@H]1Br	907649013	VJOBRNCSHOUDSJ-QPUJVOFHSA-N	309.167	1.748	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)cc1[N+](=O)[O-])N1CCOCC1	901179605	JNAUJTOEMSVOPR-UHFFFAOYSA-N	312.713	1.624	50	20	DDGD	
CC(C)[C@@H](CNCc1ccc(B(O)O)cc1F)c1cccnc1	585026769	RURURTGFVHJYIT-MRXNPFEDSA-N	316.185	1.430	50	20	DDGD	
OB(O)c1cccc(CN[C@H]2CCCOc3c(F)cccc32)c1	585034016	MEIASKQVBUDWOU-INIZCTEOSA-N	315.153	1.509	50	20	DDGD	
Cc1ccc(C)n1-c1nc(CC(=O)NN(C)C[C@@H](C)O)cs1	821218310	XWKINMADDBBNEG-GFCCVEGCSA-N	322.434	1.437	50	20	DDGD	
O=C(C[C@H]1CCc2ccccc21)NNC(=O)N1CCOCC1	734429112	JTTUPKHDXDVXLX-CYBMUJFWSA-N	303.362	1.180	50	20	DDGD	
O=C(/C=C/c1cccnc1)NNC(=O)COc1ccc(F)cc1	490704012	UGYHYBQSONSCSH-FPYGCLRLSA-N	315.304	1.460	50	20	DDGD	
CCCCOc1cccc(CNCc2cccc(B(O)O)c2)c1	585016222	UMYPXGZQESIQCY-UHFFFAOYSA-N	313.206	1.835	50	20	DDGD	
CC(C)(NC(=O)O)C(=O)NNC(=O)CCCc1ccccc1	736336166	DCBCOKUCPBAAOD-UHFFFAOYSA-N	307.350	1.203	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2ncon2)CN(Cc2ccccc2)C1	901290596	XAZCNQMXZWYBKV-LBPRGKRZSA-N	313.361	1.697	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1cc(F)c(C)cc1F	901966656	RHNCNBSOFGSACD-UHFFFAOYSA-N	316.329	1.386	50	20	DDGD	
C[C@@]1(C(=O)NCCN2C[C@@H]3CC[C@H](C2)O3)C[C@H]1Br	909024815	LQRMEYGMCYHLLL-LSCVPOLPSA-N	317.227	1.139	50	20	DDGD	
C#CCN1CCC(C(=O)NNc2ccccc2C(=O)OC)CC1	490937239	STOPGMFRBDONFB-UHFFFAOYSA-N	315.373	1.262	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC(C(=O)NN=Cc2cc[nH]n2)CC1	494002218	OGVYAQWAVAAUND-UHFFFAOYSA-N	321.381	1.507	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(C)c1	831337041	ISDNTFZBAVIXMY-YPMHNXCESA-N	321.377	1.971	50	20	DDGD	
CC(=NNC(=O)O)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1	833384229	FPPFDKRPBOZCTG-ZDUSSCGKSA-N	321.333	1.668	50	20	DDGD	
CC1CCC(CN(C)C(=O)c2ccc(B(O)O)c(F)c2)CC1	584948652	AGKFPBJDFQMXDL-UHFFFAOYSA-N	307.174	1.404	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)[C@H](C)CN1CCCCC1	834933425	PHDTVNQRQOBKJA-GFCCVEGCSA-N	306.414	1.179	50	20	DDGD	
O=C(NCCC[C@H]1CCOC1)NNC(=O)c1ccccc1F	836429265	PJEHUZAHKNOPNT-NSHDSACASA-N	309.341	1.586	50	20	DDGD	
C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1cccc(B(O)O)c1	584984826	CJILGXDAOHPLAQ-HOCLYGCPSA-N	323.201	1.775	50	20	DDGD	
C[C@H]1CC(=O)Nc2ccc(C(=O)NNC(=O)C3CC3)cc2N1	905089306	GDYQLBXJPQMJNU-QMMMGPOBSA-N	302.334	1.000	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1cn2ccccc2n1)C1CCC1	837451760	XVJMAFSWTDNEBL-NSHDSACASA-N	300.362	1.460	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1cnn(C)c1)C(=O)c1ccccc1	735473213	OOGOONPBDLZPCE-NSHDSACASA-N	314.345	1.090	50	20	DDGD	
CC[C@H]1C[C@H](C)CN1CC(=O)NNC(=O)c1ccc(F)cc1	839506358	YQGATDDIKOOYGX-FZMZJTMJSA-N	307.369	1.707	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21	905096625	QVKQFEALZUMKJK-OXHMUOHRSA-N	319.386	1.238	50	20	DDGD	
O=S(=O)(CCl)N1CCC(OC[C@H]2CCCCO2)CC1	830804099	UMGYWFOYIAYVDJ-GFCCVEGCSA-N	311.831	1.563	50	20	DDGD	
O=C(NNS(=O)(=O)C[C@@H]1CCCO1)c1cccc(Cl)c1	735646511	RSGHLDZKJHEEQY-NSHDSACASA-N	318.782	1.083	50	20	DDGD	
CCOC(=O)C1CCC(NC(=O)NNC(=O)C2CCC2)CC1	732454999	NOSPLOJFFZLXFF-UHFFFAOYSA-N	311.382	1.239	50	20	DDGD	
CCN(CC)c1ncc(C=NNC(=O)CN2CCCC2=O)s1	916357972	VOWVBTRAYYXEHZ-UHFFFAOYSA-N	323.422	1.062	50	20	DDGD	
CC1(C)C[C@H]1CNC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836299316	OTNACIUEUSONAJ-VIFPVBQESA-N	320.349	1.797	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NN[C@@H](C(=O)O)c1ccccc1F	833118023	DVDPOBZBMNXXLQ-OAHLLOKOSA-N	320.295	1.954	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)[C@H]1CCCN(C(N)=O)C1	836934033	ZMMZWDBYVIZJBH-JTQLQIEISA-N	310.785	1.882	50	20	DDGD	
C[C@@H]1C[C@@H](C)CN([C@H]2CCCCC2=NNC(=O)NCC(=O)O)C1	833591386	LNHZGRVGAXKSMP-BZPMIXESSA-N	324.425	1.647	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1C(F)(F)F	839697670	YZESNWLSVQWGCC-PSASIEDQSA-N	314.223	1.685	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CCOCC(F)F)ccc1F	837035730	GNZSDSAHBXQZFG-UHFFFAOYSA-N	320.267	1.727	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H]2CC23CCOCC3)ccc1F	837038680	WKVPFMOHPMFDEF-GFCCVEGCSA-N	322.336	1.872	50	20	DDGD	
Cc1cccc(CSCC(=O)NNC(=O)[C@@H]2CCCCO2)c1	833260288	BKUWMNYNNSCYBR-AWEZNQCLSA-N	322.430	1.945	50	20	DDGD	
CCn1cc(CC(=O)NNc2ccc(C(=O)OC)c(F)c2)cn1	837059638	YIEOWNFYGMLPLG-UHFFFAOYSA-N	320.324	1.515	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccc2c(c1)OCCO2)C1CCC1	837321602	KIMMLETVLNTUAL-SNVBAGLBSA-N	304.346	1.655	50	20	DDGD	
Cc1occc1C(=O)NCC(=O)NNc1cccc([N+](=O)[O-])c1	749259673	ANFWNUBTCSOQID-UHFFFAOYSA-N	318.289	1.369	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)c1ccc([N+](=O)[O-])[nH]1	749468326	UWNBUDPENBKIDX-UHFFFAOYSA-N	314.257	1.744	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCc1ncc(-c2ccccc2)o1	910174636	GVLYEGDJQSDLNO-LBPRGKRZSA-N	303.362	1.618	50	20	DDGD	
CN(CC(=O)NNc1cc(F)c(F)c(F)c1)C(=O)C1CC1	746706917	OYCVHWIPNFKWHN-UHFFFAOYSA-N	301.268	1.415	50	20	DDGD	
C[C@H](C(=O)NNC(=O)COc1ccccc1O)C(F)(F)F	742653653	OQVHNZDBNWKUQD-SSDOTTSWSA-N	306.240	1.117	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1ccc(N(C)C)cc1	916357655	CNEHEKDHAGQDOX-UHFFFAOYSA-N	302.378	1.215	50	20	DDGD	
CC(C)N(CC(=O)NNC(=O)C(C)(C)C)Cc1ccccn1	744389473	UMJNFDPITAVPNS-UHFFFAOYSA-N	306.410	1.486	50	20	DDGD	
COc1ccc(NNC(=O)NCc2nnc(C3CC3)s2)nc1	841589812	MCEGQDZMBHOSPT-UHFFFAOYSA-N	320.378	1.645	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCO[C@H]1c1ccncc1)c1ccncc1	845072898	SABZAZLOKGUEEG-KGLIPLIRSA-N	312.329	1.015	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2Cc3ccccc32)cc1	742033918	DIRWEFRDDUAFCZ-MRXNPFEDSA-N	310.353	1.861	50	20	DDGD	
CC[C@H](N)CNC(=O)NNC(=O)c1ccc(Cl)cc1F	842004870	LEEOBCSYPVAAPE-QMMMGPOBSA-N	302.737	1.160	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)Cc2ccn(CC)n2)n1	846639916	VZIUAABJYLSADE-UHFFFAOYSA-N	317.397	1.225	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1ccc(O)cc1F	844590873	WUNFWGLTXFSGFG-UHFFFAOYSA-N	311.313	1.506	50	20	DDGD	
O=C(NNC(=O)c1cc(F)cc2nccnc12)NC1CCCC1	744053346	YMDUHUVCSVNUOJ-UHFFFAOYSA-N	317.324	1.656	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ncccn1	841355184	ZEQQZWNTQRXJTG-DTWKUNHWSA-N	316.283	1.606	50	20	DDGD	
COCCn1c(C)cc(C=NNC(=O)NCC(F)(F)F)c1C	917553606	LZZQUNFUQQLJDW-UHFFFAOYSA-N	320.315	1.947	50	20	DDGD	
COc1ccc([C@H](C)CC(=O)NNC(=O)NCC2CC2)cc1	749923290	JKBCYYRDOKTOKZ-LLVKDONJSA-N	305.378	1.929	50	20	DDGD	
Cc1c(NNC(=O)c2ccc(C(N)=O)s2)cccc1[N+](=O)[O-]	748673819	REYMHDQBUUPAGX-UHFFFAOYSA-N	320.330	1.821	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(NC=O)cc2)n1	746623177	ITJXTXVUIPSKIB-UHFFFAOYSA-N	301.306	1.119	50	20	DDGD	
CNC(=O)c1ccc(C=NNC(=O)c2ccc(C#N)cc2)cc1	747052818	OHLOMFOENKGVPB-UHFFFAOYSA-N	306.325	1.682	50	20	DDGD	
CNC(=O)c1cccc(CNC(=O)NNC(=O)C2CCCC2)c1	916603308	JSDFCRIFHXVCRK-UHFFFAOYSA-N	318.377	1.067	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)NC[C@@H](C)CN)c(Cl)c1	841963654	UTRAFOVOQYSNMJ-VIFPVBQESA-N	313.789	1.579	50	20	DDGD	
COc1ccccc1NCC(=O)NN=Cc1cc(C)n(C)n1	841604228	SHYQDGSYKYVRBK-UHFFFAOYSA-N	301.350	1.299	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=C[C@@]2(OC)CCOC2)o1	841621973	JFOCZTMTFTUDNW-INIZCTEOSA-N	323.393	1.643	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)[C@@H]1C[C@H]1C1CCC1	844397369	FSIJBJMWSOCPBO-LSDHHAIUSA-N	302.374	1.787	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NC[C@@H](C)C1CC1	920049680	PFKXIHSMFQBOIW-SNVBAGLBSA-N	315.377	1.633	50	20	DDGD	
CC1(C)CC(=NNC(=O)[C@H]2CCS(=O)(=O)C2)c2ccccc21	920369829	AVVGZSAMXSOMFW-NSHDSACASA-N	320.414	1.623	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NC[C@H](C(=O)O)C(C)C	848589573	MNNITSTVAJVCCW-ZDUSSCGKSA-N	321.377	1.225	50	20	DDGD	
NCCCC(=O)NNC(=O)N[C@H](C1CCCC1)C(F)(F)F	841191301	KBGHUSPRDLRFPN-SNVBAGLBSA-N	310.320	1.177	50	20	DDGD	
CCCCCCCCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	755077552	GOCUZMYWBWDCGY-AWEZNQCLSA-N	319.471	1.728	50	20	DDGD	
Cc1nn(C)cc1S(=O)(=O)NC[C@@]1(C)C[C@@H]1Br	856751897	DUAGZVQXRSUOPN-VHSXEESVSA-N	322.228	1.180	50	20	DDGD	
NC[C@@H]1OCC[C@H]1C(=O)NN=C(c1ccccc1)c1ccccc1	852799580	FZKOZVYJVOSPHA-SJORKVTESA-N	323.396	1.919	50	20	DDGD	
C[C@H](CCCO)CNC(=O)NC[C@]1(C)C[C@H]1Br	856957797	HPTUQIKWSPMCEH-FOGDFJRCSA-N	307.232	1.868	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)C(=O)NC2CC2)CN1Cc1ccccc1	757569931	UBLLGEPQSDKMON-GFCCVEGCSA-N	314.389	1.032	50	20	DDGD	
COc1nc2ccccc2cc1C=NNC(=O)c1cnccn1	755633454	USOUVHIEEMRBSS-UHFFFAOYSA-N	307.313	1.797	50	20	DDGD	
NC1(CNC(=O)NNc2ncnc3ccsc23)CCCC1	851671599	QBGDADPSFRAPKM-UHFFFAOYSA-N	306.395	1.589	50	20	DDGD	
CC[C@H](C(=O)NNC(=S)N[C@H](C)COC)c1ccccc1	853395529	AKKPOYGOEZMSND-YPMHNXCESA-N	309.435	1.710	50	20	DDGD	
CN1CC[C@@H](C(=O)NNC(=O)c2ccccn2)c2ccccc21	750714165	LBOBOFMFIOHCGG-CYBMUJFWSA-N	310.357	1.466	50	20	DDGD	
O=C(NC[C@H](c1ccccc1)C1CC1)NNC(=O)c1cn[nH]c1	858486979	SHPCZNVOQAGZMO-CQSZACIVSA-N	313.361	1.548	50	20	DDGD	
C[C@@]1(CNC(=O)c2csc(CN)n2)C[C@@H]1Br	857007147	GMBHZKGOZBPGED-XVKPBYJWSA-N	304.213	1.505	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccc(Cl)c(C#N)c2)n1	758229347	FPUIDOZLSJQFMY-UHFFFAOYSA-N	316.752	1.825	50	20	DDGD	
CC(C)NC(=O)CNC(=S)NC[C@@]1(C)C[C@@H]1Br	857204659	VIYAYWSUQZEUFY-GZMMTYOYSA-N	322.272	1.149	50	20	DDGD	
CO[C@H](CNC(=O)NC[C@@]1(C)C[C@H]1Br)C1CC1	856859917	VDUFBJYTULLBCB-CKYFFXLPSA-N	305.216	1.884	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NNC(=O)CC(C)C)C1	751314085	AMNDAJHCDCLHNQ-STQMWFEESA-N	311.426	1.465	50	20	DDGD	
Cn1c(=O)oc2cc(C=NNC(=O)Cc3ccncc3)ccc21	754948938	BLJIVQUUYHMZST-UHFFFAOYSA-N	310.313	1.219	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=Cc1ccccc1O	750945189	IKNJGBVZXTZTJR-UHFFFAOYSA-N	303.343	1.334	50	20	DDGD	
Cc1nccn1CCNC(=O)NNC(=O)CCc1ccccc1	750323831	XYXIIUJUBKURPM-UHFFFAOYSA-N	315.377	1.155	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NN=Cc2cn(C)nn2)c1C	755549475	AEJASVQTXMPYNM-LBPRGKRZSA-N	301.350	1.350	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=Cc1cccnc1N	853407235	LFHFPCWXRNFACM-UHFFFAOYSA-N	305.382	1.056	50	20	DDGD	
COC[C@](C)(NC(=O)NNc1ncccc1F)C(F)(F)F	932327517	YNULRRVGWQKSDA-JTQLQIEISA-N	310.251	1.814	50	20	DDGD	
CC[C@@H]1C[C@H]1NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	852305621	FAZBIJYXUXTGOL-GHMZBOCLSA-N	312.414	1.058	50	20	DDGD	
N#Cc1ccccc1C=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1	755566058	RSCDQMZSXHYRDY-UHFFFAOYSA-N	309.285	1.813	50	20	DDGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12)C(=O)Nc1ccccn1	758382880	ZNAZUZYOBBEWAS-NDBYEHHHSA-N	312.373	1.948	50	20	DDGD	
CC[C@H](C)CCNC(=O)NNC(=O)Cc1cn2ccccc2n1	852489887	ILMJIPHZBVEZPM-LBPRGKRZSA-N	317.393	1.643	50	20	DDGD	
CO[C@@H]1COC[C@H]1NC(=O)NNc1cc(F)cc(Cl)c1	854203968	ZSHCDIDBXCSMTA-GHMZBOCLSA-N	303.721	1.519	50	20	DDGD	
COc1cccc(OC)c1CC(=O)NNC(=O)c1ccccn1	756900512	FDGSAEACCFPASS-UHFFFAOYSA-N	315.329	1.103	50	20	DDGD	
C[C@H](NNC(=O)Cc1cnn(-c2ccccc2)c1)C(F)(F)F	862306313	IYAOODVLKJHQHP-JTQLQIEISA-N	312.295	1.986	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1cc2c(C)cc(C)cc2[nH]1	869912538	LSWASGFBMHZYPL-UHFFFAOYSA-N	319.361	1.209	50	20	DDGD	
CCNC(=O)NNC(=O)Cn1nc(C(F)F)cc1C(F)F	930731632	HNGIQBHWHZWYNN-UHFFFAOYSA-N	311.239	1.109	50	20	DDGD	
Cc1ccc(C=NNC(=O)C2CCN(c3ncccn3)CC2)cn1	764911540	KFYYSNZIDIWTSR-UHFFFAOYSA-N	324.388	1.547	50	20	DDGD	
Cc1noc([C@H](C)N(C)S(=O)(=O)CC(C)(C)CCl)n1	867487121	BPFCBOIBYFXCHJ-QMMMGPOBSA-N	309.819	1.966	50	20	DDGD	
CO/C(=C\c1ccccc1)C(=O)NNc1nccc(OC)n1	764216240	KDQWRMHXZFECIL-BENRWUELSA-N	300.318	1.616	50	20	DDGD	
Cc1nc(-c2ccc(C)c(NCc3ccc(B(O)O)cc3)c2)n[nH]1	864030322	JNEZHGXWSFOBPO-UHFFFAOYSA-N	322.177	1.380	50	20	DDGD	
O=C(CCC1(O)CCC1)NNc1ncc(Br)cn1	869203594	VGZQABHZBNYUJH-UHFFFAOYSA-N	315.171	1.377	50	20	DDGD	
Cc1nn2c(C=NNC(=O)NCC(F)(F)F)c(C)nc2s1	765571492	KEUZPQSEKWUZOO-UHFFFAOYSA-N	320.300	1.603	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1CCC(=NNC(=O)c2ncccn2)C1	863120201	MNXAYUMBWZLXNJ-JTQLQIEISA-N	319.365	1.640	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)CCNC(=O)OC(C)(C)C)C1CC1	760443213	RWSIEJXEAQZBDG-SNVBAGLBSA-N	313.398	1.485	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)CCCc2ccccc2)CCO1	769715333	PVVPTWRGLDIAJD-ZFWWWQNUSA-N	319.405	1.907	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2	860540768	IYPQEVMCKPXHHD-OUJBWJOFSA-N	301.481	1.671	50	20	DDGD	
CCC1(CC)C(=NNC(=O)CNC(=O)c2ccco2)C[C@H]1OC	762605447	WFAOHGAFRLBOFT-CYBMUJFWSA-N	321.377	1.707	50	20	DDGD	
CN(C)CC1(CNC(=O)NNC(=O)CC(F)(F)F)CCCC1	760163380	LPVITTZXLDCBCT-UHFFFAOYSA-N	324.347	1.391	50	20	DDGD	
COc1cc(C(=O)NN=c2cc[nH]cc2Cl)cc(OC)c1O	764566891	XLAHNJNRCKQARL-UHFFFAOYSA-N	323.736	1.637	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H]2CN(C)Cc3ccccc32)cc[nH]1	875427689	SLJRIYSSQNIZKL-MRXNPFEDSA-N	311.389	1.625	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cn(-c2cccc(Cl)c2F)nn1	776337972	BIQUIJGKRVPCFE-UHFFFAOYSA-N	323.715	1.231	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(C)n(-c2ccc(C)cc2)n1	777372029	JGBHFBNCPHXGRM-UHFFFAOYSA-N	301.350	1.453	50	20	DDGD	
O=C(NNc1ccc(F)cn1)C1CCN([C@H]2CCSC2)CC1	874648691	YORQBZWMMOGYHL-ZDUSSCGKSA-N	324.425	1.881	50	20	DDGD	
CC(C)NC(=S)NNC(=O)Cc1cc2ccccc2nc1O	1115852276	IHVDKOUYZCHARB-UHFFFAOYSA-N	318.402	1.387	50	20	DDGD	
O=C(NCCC1=CCNCC1)NNC(=O)c1ccccc1Cl	1117966892	PEDRMZOQAJCONA-UHFFFAOYSA-N	322.796	1.594	50	20	DDGD	
CN(CCS(N)(=O)=O)Cc1ccc(OCCCCl)cc1	877826011	MMBNAZWZAKMZGI-UHFFFAOYSA-N	320.842	1.415	50	20	DDGD	
CC[C@@H](C)N[C@H](CNC(=O)NN(C)C(=O)OC)c1ccco1	875575638	ROIFJOVVLBXQPT-GHMZBOCLSA-N	312.370	1.621	50	20	DDGD	
CCN([C@@H](C)C(=O)NNC(=O)CC(C)C)[C@@H](C)C(F)(F)F	879357383	JIZCPKHWJKQYNJ-UWVGGRQHSA-N	311.348	1.841	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCC(=O)c1ccc(OC)cc1	887142928	FLIOVJBNORJVEN-UHFFFAOYSA-N	316.357	1.609	50	20	DDGD	
COc1cccnc1NC(=O)NNC(=O)c1ccc(Cl)nc1	771791835	OEQCUJYNAZQHFT-UHFFFAOYSA-N	321.724	1.605	50	20	DDGD	
Cc1ccc([C@@H](O)[C@H](C)NS(=O)(=O)CCCCl)cc1	882190783	NYOQVFQBDYFVGX-AAEUAGOBSA-N	305.827	1.965	50	20	DDGD	
CCN(CC)C(=O)N1CCC(C(=O)NNc2ccccn2)CC1	777468287	UBMDELHOEFNKQX-UHFFFAOYSA-N	319.409	1.699	50	20	DDGD	
Cc1ccc(OCCCC(=O)NNC(=O)C2CCOCC2)cc1	883059661	GQYZOFPHFKNPIJ-UHFFFAOYSA-N	320.389	1.728	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@H](C)c1cc(F)ccc1OC	775141826	BQCQQNQXWYIJSU-ZJUUUORDSA-N	311.357	1.431	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H](C)c2ccco2)nc1C	778424934	HLOAVZDBZKKVHZ-VIFPVBQESA-N	318.333	1.802	50	20	DDGD	
CC(C)(C)OC(=O)CCCCNC(=O)NNC(=O)C(C)(C)C	773547369	OSEVCDWZHOPGJJ-UHFFFAOYSA-N	315.414	1.875	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCOC[C@H]2CCCO2)cc1O	882047748	VWHSRIFYGKAFIQ-CYBMUJFWSA-N	322.361	1.047	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccc(C(=O)O)nc1	880609176	KAJMZCLZHJSODF-UHFFFAOYSA-N	302.246	1.445	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1ccc2ccccc2n1	880492103	NLLPJQYEIGCUBO-CYBMUJFWSA-N	314.345	1.957	50	20	DDGD	
Cc1cccc(F)c1CNC(=O)NNC(=O)C1CCOCC1	883471652	UNVBCGGKUWVYOZ-UHFFFAOYSA-N	309.341	1.391	50	20	DDGD	
COc1ccc(C=O)c(OS(=O)(=O)CBr)c1	782412534	VUNHQVIMORMZOL-UHFFFAOYSA-N	309.137	1.569	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H](O)c1cccnc1	780739075	INQOMCPVQLAXRO-CYBMUJFWSA-N	301.302	1.045	50	20	DDGD	
CCn1nccc1NC(=O)C(=O)NNc1ccc(Cl)cc1	783333101	QHORGBGMXJJRCT-UHFFFAOYSA-N	307.741	1.638	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NC[C@@H]2CCC=CO2)c1	780759140	ZFZZDDRVUNVDSX-ZDUSSCGKSA-N	300.318	1.195	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2c(C)noc2C2CC2)c1	783929708	ZREINLIYISFJLB-UHFFFAOYSA-N	315.333	1.646	50	20	DDGD	
Cc1cn(-c2c(F)cccc2F)nc1C(=O)NNC(=O)C(C)C	786687988	MUKFYKCVSRCHFJ-UHFFFAOYSA-N	322.315	1.876	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)CNc2ccc(C)cc2)no1	895558275	UVVUZUYCOLAGQU-UHFFFAOYSA-N	302.334	1.419	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)COc2ccc(C)cc2)cn1	788263855	GAIAHMZOKVTJMU-UHFFFAOYSA-N	314.345	1.272	50	20	DDGD	
Cc1nc(C)c(NC(=O)NNc2cc(Cl)nc(N)n2)s1	789133611	KXPKHKIVTAQMRI-UHFFFAOYSA-N	313.774	1.934	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(Cl)c1)[C@@H](C)S(C)(=O)=O	788273871	IFPMATADDQCGST-DTWKUNHWSA-N	304.799	1.852	50	20	DDGD	
CC(C)C(=O)NNC(=O)CCC(=O)N[C@@H](C)c1ccccc1	895510729	SGOGEMOYAPNCMF-LBPRGKRZSA-N	305.378	1.447	50	20	DDGD	
CC(C)CN1C(=O)C(=NNC(=O)C(C)(C)O)c2ccccc21	785458408	ZPFRZRHVCADMLX-UHFFFAOYSA-N	303.362	1.280	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)NCc1cn(C)cn1	898619858	QQOZKUPODMYLSD-UHFFFAOYSA-N	323.788	1.813	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCc2ccc(F)cc2)n1	792759805	DTEQTCPDYHBECW-UHFFFAOYSA-N	302.309	1.673	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)CCC2(C)CC2)C[C@@H](C)O1	891767785	LNHLAJRAOJVVCV-BETUJISGSA-N	311.426	1.213	50	20	DDGD	
COCC[C@H]1CCCC1=NNC(=O)CNC(=O)c1ccco1	799877733	HTSHJDXQQLJCHU-LLVKDONJSA-N	307.350	1.318	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(-n2ccc(C)n2)cc1	794394757	JFKYYFBYJRWJRA-UHFFFAOYSA-N	317.349	1.370	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2cn(C(C)(C)C)nn2)ccn1	790161526	HSPLFLVCTKSEGJ-UHFFFAOYSA-N	315.381	1.258	50	20	DDGD	
Cc1cccnc1NNC(=O)CN1C(=O)c2ccccc2C1=O	791224394	STLUIYDDZKQOBQ-UHFFFAOYSA-N	310.313	1.129	50	20	DDGD	
COc1cc(OC2CC2)ccc1C(=O)NNc1ncccn1	790261277	WQJIJKDODVCSBX-UHFFFAOYSA-N	300.318	1.783	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@H]2OCCc3ccccc32)c1Cl	1319408844	DANINIOZOGCRJC-LBPRGKRZSA-N	319.752	1.469	50	20	DDGD	
C[C@@H](C(=O)Nc1cccc(NC(=O)NN(C)C)c1)n1ccnc1	1326385285	OGMUYVZHKPUNRC-NSHDSACASA-N	316.365	1.681	50	20	DDGD	
O=C(NNC(=O)[C@]1(F)CCOC1)c1ccc(Cl)cc1Cl	1323020788	RPALWWHJLSIHRB-LBPRGKRZSA-N	321.135	1.883	50	20	DDGD	
CC(C)CC(=O)N1CCN(C(=O)NNC(=O)C2CCCC2)CC1	1320855660	DBGMFIILARBCIH-UHFFFAOYSA-N	324.425	1.108	50	20	DDGD	
O=C(CO[C@H]1CCOC1)NNc1cccc(Br)n1	1325427067	IRNKMLAKRHRRLW-QMMMGPOBSA-N	316.155	1.093	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H]1CCC(C)(C)C[C@H]1C	1326004835	FZTHMYIOUKXHJV-XQHKEYJVSA-N	311.426	1.957	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@]2(F)CCOC2)c1	1327168610	SZZYRGQLQWKIOG-AWEZNQCLSA-N	310.329	1.352	50	20	DDGD	
CCc1cnccc1[C@H](C)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	1332090177	OYBUFXHZRMLVER-WDMOLILDSA-N	320.393	1.460	50	20	DDGD	
O=C(NNC(=O)c1ccn(-c2ccncc2)n1)Nc1ccccc1	1256692126	PACSPNZCRRCTLO-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
CC(C)(C)OC(=O)N1CC2CC1(C(=O)NNC(=O)CC1CC1)C2	1337288575	DKSKKEGXEBZRAY-UHFFFAOYSA-N	323.393	1.333	50	20	DDGD	
CS[C@@H]1CCC[C@H](NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)C1	1332089353	LZAAKUJZRRLLRQ-YFKTTZPYSA-N	315.439	1.416	50	20	DDGD	
CC(F)(F)C1(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CC1	1334619879	NPKCFHFSEITGIJ-UHFFFAOYSA-N	312.320	1.485	50	20	DDGD	
CC(=NNC(=O)c1cccc(C)n1)C1CCS(=O)(=O)CC1	1339657364	GVWVDYFPKNTRCJ-UHFFFAOYSA-N	309.391	1.321	50	20	DDGD	
O=C(NN=c1c(=O)c2cccc3cccc1c32)C1CCOCC1	1333214913	LBQUWJBTKDYGQZ-UHFFFAOYSA-N	308.337	1.587	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1ccncc1)OCC(F)(F)F	1263862709	RKIVBISSNCIICY-DTWKUNHWSA-N	303.240	1.505	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CC23CCSCC3)cc1	1344047679	PVXMJSNEWUVEPY-ZDUSSCGKSA-N	320.414	1.990	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)c1ccc2ccccc2n1	1353253704	DHCGSDGSRVPVFT-SWLSCSKDSA-N	313.357	1.811	50	20	DDGD	
C[C@]1(Cn2nnnc2N2CC[C@@H](CF)C2)C[C@H]1Br	1352686059	JOLRBPXRHDNPSP-IQJOONFLSA-N	318.194	1.642	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C1(C(C)(F)F)CC1	1350528792	HNJLSEWWOMFXSJ-UHFFFAOYSA-N	309.382	1.296	50	20	DDGD	
C[C@@H]1CN2CCN1C[C@H]2C(=O)NNc1c(F)cccc1Cl	1519883713	RVTQSNKQYSQQKS-SKDRFNHKSA-N	312.776	1.311	50	20	DDGD	
Cc1cc(NNC(=O)N[C@@H](C)c2nnnn2C)ccc1Cl	1527976580	GHXCGXVIFBHCDI-QMMMGPOBSA-N	309.761	1.559	50	20	DDGD	
CCO[C@@H]1CCC[C@H]1NC(=O)NNc1ccc(CC(=O)O)cc1	1605651107	SXYYBAXMPRXMKD-ZIAGYGMSSA-N	321.377	1.897	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)COc2ccc(O)cc2)cc1	1602127004	BSLUCZTVDCGYCI-UHFFFAOYSA-N	316.313	1.541	50	20	DDGD	
Cc1ccnn1CC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1600606154	OVWSPPQDCSGVDZ-UHFFFAOYSA-N	305.246	1.404	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1CC[C@H]1C(=O)O	1608478212	WVKXYZHGZSBYFE-MXYNVHDSSA-N	320.389	1.461	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)c1ccccc1CCC(=O)O	1603787066	KLRRZRIRVCZFAJ-UHFFFAOYSA-N	306.362	1.901	50	20	DDGD	
CC(=O)NNC(=O)Nc1cc(C(=O)O)ccc1-n1cc(C)cn1	1603052060	AEUYBKSVUVGXRK-UHFFFAOYSA-N	317.305	1.052	50	20	DDGD	
O=C(O)CCC(=O)NNc1cc(F)ccc1Br	1606101619	CRBQIUAMISKCFA-UHFFFAOYSA-N	305.103	1.896	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2cccn2[C@@H](C)C(=O)O)n1	1610546808	LUPFNEYBRRRRAG-JTQLQIEISA-N	320.374	1.591	50	20	DDGD	
CCC(COC)=NNC(=O)[C@H]1CCCO[C@H]1c1nccn1C	1549312483	WGWOCQNHSHSYRH-QWHCGFSZSA-N	308.382	1.416	50	20	DDGD	
COCC(=NNC(=O)[C@H]1CCCO[C@H]1c1nccn1C)C(C)C	1549309440	IMBZMJHWNQCFEV-GXTWGEPZSA-N	322.409	1.662	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@]2(C)CCCN2)cc1	1575272751	MVYYPVUOTMSHDP-QGZVFWFLSA-N	303.406	1.887	50	20	DDGD	
NC[C@@H]1CCCN(S(=O)(=O)c2ccc(CCCl)cc2)C1	1574270632	JOESIIUKLBRMEK-ZDUSSCGKSA-N	316.854	1.827	50	20	DDGD	
CS(=O)(=O)c1ccc(NNC(=O)/C=C/[C@@H]2CCCNC2)cc1	1579351283	HFMRZBSDMUCECI-KFRNIWOLSA-N	323.418	1.089	50	20	DDGD	
NCC[C@H](NC(=O)NNc1ccc([N+](=O)[O-])cc1)C(F)F	1580282883	GNSCLYXYBZHPJI-VIFPVBQESA-N	303.269	1.203	50	20	DDGD	
CCc1[nH]c(C(=O)NN(C)c2ccccn2)c(C)c1C(=O)O	1597369099	DFZBBXLOOGICCM-UHFFFAOYSA-N	302.334	1.760	50	20	DDGD	
C[C@@H]1CC=CC[C@H]1NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1591732040	CCAKLISDHJPUIG-MWLCHTKSSA-N	314.353	1.243	50	20	DDGD	
CC(C)(C#N)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843361897	WHUBKOWKKOEGSM-SECBINFHSA-N	301.749	1.274	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1ccc(C(=O)O)cc1OC	1598642541	RHCOOCHCVMZXOT-UHFFFAOYSA-N	323.349	1.143	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)/C=C\c2ccc(C(=O)O)o2)c1	1594435709	KSCGDPOBLFYVRG-HYXAFXHYSA-N	320.326	1.822	50	20	DDGD	
C[C@@H]1CO[C@H](C(=O)N(c2nc(CC(=O)O)cs2)N(C)C)C1	1594586166	HMYQGZJUQLHIDV-WPRPVWTQSA-N	313.379	1.005	50	20	DDGD	
COc1cccc([C@@H](NNC(=O)[C@H]2CCCCO2)C(=O)O)c1	1599661214	ZVICBZUAQHGFQM-CHWSQXEVSA-N	308.334	1.011	50	20	DDGD	
N#C/C(=C/c1cc(-c2nn[nH]n2)cs1)C(=O)[C@H]1CCCOC1	1592662431	FGOXYNPKIIHNRL-SGRPLGENSA-N	315.358	1.831	50	20	DDGD	
O=C(O)Cn1cccc1C=NNC(=O)COCc1ccccc1	1595157956	AHEMDQDWISIOME-UHFFFAOYSA-N	315.329	1.240	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2ccccc2C(=O)O)c1[N+](=O)[O-]	1599967419	NZTYWWLLZVHIEX-UHFFFAOYSA-N	305.250	1.081	50	20	DDGD	
CCN(CCNC(=O)NNc1ccc(C(=O)O)c(F)c1)C1CC1	1596334382	GZQDRYALTZEBET-UHFFFAOYSA-N	324.356	1.634	50	20	DDGD	
O=C(NN=C1CC[C@H](C(=O)O)c2ccccc21)c1ccnnc1	1776081548	UFCJETQIFPSOIC-ZDUSSCGKSA-N	310.313	1.573	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=Cc2cc(C(=O)O)co2)c1	1776021904	VJGWNOLVFORSRJ-UHFFFAOYSA-N	318.285	1.759	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=S)N[C@H]2CCCC[C@@H]2C)n1	16316506	QOEKQXVMJTXDHI-GWCFXTLKSA-N	323.466	1.574	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COc2ccc(C#N)cc2)c1	16006640	PNGKTRQGFALUBV-UHFFFAOYSA-N	309.325	1.707	50	20	DDGD	
C[C@@H](Sc1ccccn1)C(=O)NNC(=O)c1cccnc1	152035859	WYMYXXFSJHQGNH-SNVBAGLBSA-N	302.359	1.418	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1	155327088	LZAUCFLJEOQQRE-CYBMUJFWSA-N	324.340	1.643	50	20	DDGD	
O=C(CSCc1cccnc1)NNc1ncnc2nc[nH]c12	156284785	USUWLVBMEWUROT-UHFFFAOYSA-N	315.362	1.124	50	20	DDGD	
CCC(=O)N1CCC[C@H](C(=O)NNc2cc(F)cc(OC)c2)C1	157469616	UBLGPNFZMADMIX-NSHDSACASA-N	323.368	1.926	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Cn1cc(Br)cn1	299101352	IDIMAGJLZPVZEO-UHFFFAOYSA-N	319.159	1.202	50	20	DDGD	
CCOCCC(=O)NNC(=O)c1cc(-c2ccccc2)on1	102863626	BASCCUIZOMHFHN-UHFFFAOYSA-N	303.318	1.529	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)CCc2ccncc2)cc1	104201635	NXJIFOWGRNJXNB-UHFFFAOYSA-N	324.340	1.112	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)NCC2CC2)ccc1F	105591455	RKTRPIKSKPZQRA-UHFFFAOYSA-N	301.343	1.037	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1cccnc1)N1CCc2ccccc21	171596205	UPDFSYNUTRXBFA-CYBMUJFWSA-N	324.384	1.223	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1C1CC1)c1ccc2c(c1)OCCO2	176601603	KQNCIHRDGNJXCX-VXGBXAGGSA-N	302.330	1.265	50	20	DDGD	
Cc1ccc(C(=O)N[C@H](C(=O)NNC(=O)C2CC2)C(C)C)cc1	26967951	PHMMAKZYTYEXAM-AWEZNQCLSA-N	317.389	1.307	50	20	DDGD	
CC(C)N(C)CCNC(=O)NNC(=O)CCCc1ccccc1	69826602	CJZJUKWANVIYKD-UHFFFAOYSA-N	320.437	1.680	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cnn(C)c1C)c1ccccc1	110340812	LEXQZRWACWCZGY-CYBMUJFWSA-N	300.362	1.683	50	20	DDGD	
CCCNC(=S)NNC(=O)c1nnc(-c2ccccc2)o1	63793908	QPPYNLCJHIBTCA-UHFFFAOYSA-N	305.363	1.256	50	20	DDGD	
C=CCCCC(=O)NNC(=O)c1cc(Br)c[nH]1	175134039	FEDUHVWPZLDKCM-UHFFFAOYSA-N	300.156	1.895	50	20	DDGD	
CNC(=O)NNC(=O)[C@H](C)Oc1ccccc1Br	112277778	ZVKOTFYADUIXPC-ZETCQYMHSA-N	316.155	1.177	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNC(=O)c2cc3ccccc3o2)cn1	177749405	UWUYNBPHGOINQC-UHFFFAOYSA-N	324.296	1.002	50	20	DDGD	
Cn1c(NNC(=O)c2cscn2)nc2ccccc2c1=O	113186802	RAXWCNOTECYLQX-UHFFFAOYSA-N	301.331	1.147	50	20	DDGD	
CN(Cc1ccccc1[N+](=O)[O-])C(=O)NNC(=O)C(C)(C)C	171769780	NJJWYDXYQPSMBZ-UHFFFAOYSA-N	308.338	1.814	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCc1cc(C)no1	67478503	OKONCYHPMWMNCY-UHFFFAOYSA-N	304.306	1.136	50	20	DDGD	
O=C(NNC(=O)c1ccc(-n2cnnc2)cc1)c1ccccc1	120501113	GSRKCBYFBPPASJ-UHFFFAOYSA-N	307.313	1.342	50	20	DDGD	
Cc1cc(Cl)c(C(=O)NNC(=O)C(=O)N2CCCC2)cc1C	181884355	WLPNNLHKPGAERX-UHFFFAOYSA-N	323.780	1.340	50	20	DDGD	
Cc1ccc(O[C@H](C)C(=O)NNC(=O)c2cccn2C)cc1	78478382	GBNVHRGHDVAUMF-GFCCVEGCSA-N	301.346	1.562	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2ccc(F)cc2)nc1C	182721955	CUPOKEJAWXUKOK-UHFFFAOYSA-N	318.308	1.858	50	20	DDGD	
O=C(/C=C/c1ccc2ccccc2n1)NNC(=O)Cc1cc[nH]n1	186149606	LJSQRIBKXIDOIK-BQYQJAHWSA-N	321.340	1.361	50	20	DDGD	
COc1cccc(NNC(=O)c2cc3c([nH]c2=O)CCCC3)n1	180713358	PKBAYMMZOSKVEF-UHFFFAOYSA-N	314.345	1.414	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cc(C)nn1-c1ccccn1	183312735	HNBWVKRRSQSTFW-JTQLQIEISA-N	316.365	1.775	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccncc2)cc1Cl	122461179	WKGJPYQTBHWKOX-UHFFFAOYSA-N	300.705	1.681	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@H]2Cc3ccccc3O2)n1	182778285	LKYJIEHJORWYBH-SECBINFHSA-N	305.725	1.159	50	20	DDGD	
COc1ccc(F)cc1CC(=O)NNC(=O)c1ccccc1	185208170	ZNUJPJOWTKWJKV-UHFFFAOYSA-N	302.305	1.838	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NOCC(C)C	137393715	SLCXLPLMKNMFSE-UHFFFAOYSA-N	305.338	1.174	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H](C)c2cnn(C)c2C)n1	47007623	LSRVXWSAKZFULM-JTQLQIEISA-N	303.370	1.523	50	20	DDGD	
Cc1cc(C)c(NNC(=O)C(=O)Nc2nocc2C)c(C)c1	132197322	WLXIOVGAONGFPF-UHFFFAOYSA-N	302.334	1.990	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1cccc(F)n1	130658467	VEEYSGBXQUQAIC-UHFFFAOYSA-N	300.253	1.423	50	20	DDGD	
Cc1cc(C)c(NNC(=O)C(=O)Nc2cnn(C)c2)c(C)c1	132242999	ZTRMHZIFYPFERQ-UHFFFAOYSA-N	301.350	1.427	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNC(=O)CCc1ccccc1	92373042	NJVNVAIRJXLAPR-UHFFFAOYSA-N	300.362	1.376	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cccnc1Cl	98106020	LIYNCICRCBMRMK-UHFFFAOYSA-N	319.748	1.747	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)n1	245390356	LQLOZQQHQSIGLQ-IHRRRGAJSA-N	319.409	1.267	50	20	DDGD	
N#C/C=C(\c1ccccc1)N1CCN(c2nc(N)ns2)CC1	268300579	MGUKOFYXFRNHSM-AWNIVKPZSA-N	312.402	1.807	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H](C)[C@H]2CCOC2)cc1	266850111	WXXVCRMOAINIOY-OLZOCXBDSA-N	321.377	1.129	50	20	DDGD	
C[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	266886988	XUCNWPCRENBDPF-LDYMZIIASA-N	322.321	1.433	50	20	DDGD	
CCNC(=O)C1(CNC(=O)NNc2cccc(OC)n2)CCC1	277309788	UZQWCMHSZDXPDP-UHFFFAOYSA-N	321.381	1.023	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@H]2CCSC2)cc1	279618011	SPXPEKRAZKLSDC-GFCCVEGCSA-N	307.419	1.946	50	20	DDGD	
CCNC(=O)c1cccc(NC(=O)CN2CC=C(C#N)CC2)c1	272679415	RNKDEQKJRYHZMN-UHFFFAOYSA-N	312.373	1.530	50	20	DDGD	
O=C(NNC(=O)c1cnn2c1OCCC2)c1cccc(Cl)c1	366354339	LRZLETPLGZGTPM-UHFFFAOYSA-N	320.736	1.394	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NN[C@@H](CC)C(=O)OC)cc1	279673354	DPLODJBTJZLZKK-RISCZKNCSA-N	324.377	1.425	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCCc1ccccc1)C(=O)OC	276601650	KALSSWKREAXVKS-ZDUSSCGKSA-N	306.362	1.356	50	20	DDGD	
Cc1cccnc1NNC(=O)C1CCN(C(=O)C(C)C)CC1	276774071	TYIUGCCTDFEWFL-UHFFFAOYSA-N	304.394	1.728	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@@H]2CCC[C@@H](N)[C@H]2C1	368484479	YTDIJJBEFCADOO-MELADBBJSA-N	324.856	1.938	50	20	DDGD	
O=C1[C@@H](NS(=O)(=O)CCCCCl)CN1c1ccccc1	364211125	HETXVCALVFRLMJ-LBPRGKRZSA-N	316.810	1.340	50	20	DDGD	
CCCc1cc(NC(=O)C(=O)NNc2ncccc2C)n(C)n1	276841998	QWUMDXNNKRNCKA-UHFFFAOYSA-N	316.365	1.158	50	20	DDGD	
O=C(NNc1ncccn1)N[C@@H]1CC(=O)N(C2CCCCC2)C1	271409114	RMGISKNOPHZAAR-LLVKDONJSA-N	318.381	1.036	50	20	DDGD	
CC(C)COc1ccccc1NC(=O)C(=O)NNC(=O)C1CC1	274071752	PHXZKTGSLKOFIX-UHFFFAOYSA-N	319.361	1.217	50	20	DDGD	
O=C(NCC1CC1)C(=O)NNc1ncc(Cl)cc1Cl	276562983	SYRKXPBUCCGKFU-UHFFFAOYSA-N	303.149	1.358	50	20	DDGD	
CCOCC(C)(C)CNC(=O)NNC(=O)c1cccc(C)n1	288422535	SBYCVMVTBVCLAR-UHFFFAOYSA-N	308.382	1.397	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2ncnn2C(C)(C)C)o1	282701726	QDEIRBQRVAABRH-UHFFFAOYSA-N	320.353	1.079	50	20	DDGD	
O=C1CC[C@H](NC(=O)NNc2cccc(F)n2)C2(CCC2)N1	286947111	KHPLWLKZGSFXJY-VIFPVBQESA-N	307.329	1.048	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCc1ncc[nH]1)c1ccccc1	287396227	JRHUSZOONKBYKF-CYBMUJFWSA-N	300.362	1.684	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)c3cncn3C)cc2C1	289428618	VIXNVCVTGAUMON-VIFPVBQESA-N	318.402	1.681	50	20	DDGD	
CCOc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)NC2CC2)c1	282581351	BFIKFULOWLBAII-UHFFFAOYSA-N	308.294	1.100	50	20	DDGD	
CCOCCC(=O)NNC(=O)Nc1cc(OC)ccc1Cl	283528398	BQVCGJPSWXOIAZ-UHFFFAOYSA-N	315.757	1.928	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H]2O[C@H](C)C[C@H]2C)c1	282543640	CIGSWLQUSLKECA-LALPHHSUSA-N	306.362	1.335	50	20	DDGD	
O=C(CN1CCC[C@@H]1[C@@H]1CCCO1)NNC(=O)c1ccccc1	284680423	HKGSDWCHLGTPEQ-CABCVRRESA-N	317.389	1.091	50	20	DDGD	
CCOC(=O)COc1ccc(NC(=O)NNC(=O)C2CC2)cc1	281935094	BPBWFGRJAZDZHK-UHFFFAOYSA-N	321.333	1.191	50	20	DDGD	
COCC1(C(=O)NNC(=O)COCc2ccccc2)CCC1	284366384	ODUPYILHEXHXGO-UHFFFAOYSA-N	306.362	1.167	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2CCCCC2(F)F)n1	294291977	IBQUWGNOEGODFO-LLVKDONJSA-N	314.336	1.473	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21	290437828	HOBCCFICGKBNAJ-NURSFMCSSA-N	323.301	1.560	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)[C@H](C)OCCOC)[C@H]1SC	807975615	WACRGLZNMGQWLJ-MVWJERBFSA-N	304.412	1.051	50	20	DDGD	
O=C(NCCCN1CCCCC1=O)NNc1cccc(F)n1	805082317	LFOMFSDZTJRZRN-UHFFFAOYSA-N	309.345	1.249	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc(F)cc1)[C@@H](C)C(C)C	298265180	WCHBDTFJTINTBH-LBPRGKRZSA-N	309.385	1.953	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2ccc(C#N)cc2Cl)O1	292781474	UQRDBZBKKCWNIY-UFBFGSQYSA-N	322.752	1.932	50	20	DDGD	
O=C(CSc1nncs1)NNC(=O)NC1CCCCC1	299223449	MJDCFQDVSCHATB-UHFFFAOYSA-N	315.424	1.293	50	20	DDGD	
CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)NNC(=O)CC(C)C)[C@H]2C1	808358031	VZBQEGCHYKDUEG-IHRRRGAJSA-N	324.425	1.010	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cnc(C)s2)cc1	802061602	YZEKDNMEAWHNAR-UHFFFAOYSA-N	306.347	1.927	50	20	DDGD	
Cc1cccc(O[C@H](C)CNC(=O)NNC(=O)[C@@H]2CCCO2)c1	293622063	YXOXJBYLLVQWBC-OCCSQVGLSA-N	321.377	1.272	50	20	DDGD	
CC(C)(C(=O)NNc1ccncn1)c1ccc2c(c1)OCCO2	295575955	WCUSTRNZXBRTPN-UHFFFAOYSA-N	314.345	1.669	50	20	DDGD	
CC1CCC(OCC(=O)NNC(=O)N=c2cc[nH]cc2)CC1	802029877	VEQWXDXFZLIDNO-UHFFFAOYSA-N	306.366	1.252	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@@]1(CO)C[C@H]1c1ccccc1	292729941	PMLDOUNRQLETPS-SDIQTFFVSA-N	300.358	1.713	50	20	DDGD	
CCOc1cc(C(=O)NNC(=O)CCc2ccccc2O)on1	295335404	ULRKIPFZMAFPQW-UHFFFAOYSA-N	319.317	1.173	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H]2CSC[C@H]2C)cc1	805789729	JXNFJAODTNLGAC-ZWNOBZJWSA-N	307.419	1.945	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CCn3c(cnc3C)C2)cc1	290552166	SRESGWCGLUMYKK-GFCCVEGCSA-N	300.362	1.906	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cc(C3CC3)n(C)n2)o1	290333642	HNZLKKWSCMKNAU-UHFFFAOYSA-N	303.322	1.665	50	20	DDGD	
O=C(CCc1nc(-c2ccccn2)no1)NCC(Cl)Cl	808128894	IBWWKDXEIBFQFV-UHFFFAOYSA-N	315.160	1.984	50	20	DDGD	
O=C(CCCOc1cccc(F)c1)NNC(=O)[C@H]1CCCCO1	295328313	HAQGRMADUNWQGB-CQSZACIVSA-N	324.352	1.701	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc3c(c2)CCCC3=O)n1	294095714	OLTIRNMLKOOSRY-UHFFFAOYSA-N	312.329	1.761	50	20	DDGD	
C/C(=C/c1ccccc1Cl)C(=O)NNc1nccn(C)c1=O	810468583	BOODUYKVLFMDMI-KTKRTIGZSA-N	318.764	1.980	50	20	DDGD	
COc1cc(C)c(C=NNC(=O)Cc2cc[nH]n2)cc1OC	814957419	QSPQIWJUSIKBQI-UHFFFAOYSA-N	302.334	1.428	50	20	DDGD	
Cc1ccoc1CNC(=O)NNC(=O)COc1ccccc1F	813843622	ANHKOYLXMJVNTQ-UHFFFAOYSA-N	321.308	1.637	50	20	DDGD	
Cc1cc(C)c(NNC(=O)C(=O)Nc2nc(C)n(C)n2)c(C)c1	815589659	ZDCNPHHLOOAFSE-UHFFFAOYSA-N	316.365	1.131	50	20	DDGD	
Cn1c(=O)oc2c(NC(=O)NNc3ncncc3F)cccc21	814679282	AMWVUANBZUULTF-UHFFFAOYSA-N	318.268	1.209	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCc2cncs2)nc1	815878452	FYWCMZBZMOLTBF-UHFFFAOYSA-N	306.347	1.401	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(CC)CCOc1ccccc1C	817284188	MDGYWZIJEDEFAS-CQSZACIVSA-N	321.421	1.642	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2cnc(N(C)C)nc2)c1	814716971	XEHVJYXQTYBXHE-UHFFFAOYSA-N	313.361	1.380	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccnc(NC(=O)C(C)C)c1	815114321	PBMMJHRDCHLCHN-UHFFFAOYSA-N	321.381	1.420	50	20	DDGD	
Cn1nccc1[C@@H]1CCCC(=NNC(=O)Cc2cc[nH]n2)C1	814954622	LTTLHYCAWZBIBZ-LLVKDONJSA-N	300.366	1.516	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(C#N)cc2)c2n[nH]cc2c1	726531714	YHPCZVYFRRACAU-UHFFFAOYSA-N	319.324	1.818	50	20	DDGD	
O=C(CSc1nc2c([nH]1)CCC2)NNC(=O)c1ccccc1	813583469	REYBPKHQYCDXIB-UHFFFAOYSA-N	316.386	1.452	50	20	DDGD	
CN(NC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1)C1CC1	819648458	FCQFHSDPNVRCOY-ZDUSSCGKSA-N	302.378	1.059	50	20	DDGD	
NC(=O)[C@@H](NNC(=O)C1CC1)c1ccc(Br)cc1	729676640	QFYNCZQAZYQPEH-JTQLQIEISA-N	312.167	1.006	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)OCC(F)(F)F)c1cccc(O)c1	825518812	DULJRBUABVCUAV-SSDOTTSWSA-N	306.240	1.815	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc2c(=O)[nH]ccc2c1	824692885	AJYVRHOFAVZTLV-UHFFFAOYSA-N	302.334	1.727	50	20	DDGD	
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NNC(=O)CCOc1ccccc1	824701864	HRXJTOHQXGMRHO-ZIAGYGMSSA-N	320.389	1.807	50	20	DDGD	
Cc1cccc(CCNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	825832757	YTZCRLJOJLLNFO-JSGCOSHPSA-N	305.378	1.293	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)NNc1ccccc1F)C2	496388572	SYKTWCWYGDPLQE-MJVIPROJSA-N	319.336	1.912	50	20	DDGD	
COC(=O)Nc1cccc(C(=O)NNC(=O)c2cccnc2)c1	491110738	AINQSAJLYCDINO-UHFFFAOYSA-N	314.301	1.335	50	20	DDGD	
CCN(CCO)NC(=O)c1ccccc1COC1CCOCC1	823869890	RONBBPICRGEGHK-UHFFFAOYSA-N	322.405	1.341	50	20	DDGD	
CCCNC(=O)NNC(=O)Cc1cccnc1Br	822799801	JETKRZOWVPWIKY-UHFFFAOYSA-N	315.171	1.127	50	20	DDGD	
CNC(=O)NNC(=O)Cc1sc(SCC(C)C)nc1C	823425080	KSZSFZMFILPBFM-UHFFFAOYSA-N	316.452	1.702	50	20	DDGD	
CC(C)OCCCNC(=O)/C(C#N)=C/c1cnc(N(C)C)n1C	490976929	RVLJQTJPNZIXLY-UKTHLTGXSA-N	319.409	1.324	50	20	DDGD	
COc1ccc(C(=O)CCC(=O)NN(C)[C@H](C)CO)cc1F	823946920	POWWKWLHCJZCKG-SNVBAGLBSA-N	312.341	1.141	50	20	DDGD	
Cc1ccc(Br)cc1C(=O)NN(C)[C@H](C)CO	823952855	UXWAPKWHXBICBH-SECBINFHSA-N	301.184	1.715	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccc2c3c(cccc13)CC2	495449828	ZVHGSHYQTVVELY-UHFFFAOYSA-N	313.313	1.264	50	20	DDGD	
CN(CCNC(=O)/C(C#N)=C\c1cnn(C)c1)C1CCCC1	491138493	ZDQYUNYBXYVGFE-ZROIWOOFSA-N	301.394	1.318	50	20	DDGD	
Cc1cccn2cc(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)cc12	823473221	AZIHREMXVSTASC-AAEUAGOBSA-N	301.346	1.434	50	20	DDGD	
CC[C@@H]1CCC[C@H]1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	822192562	RIZDPUHLCIOLLY-JMSVASOKSA-N	318.373	1.800	50	20	DDGD	
C[C@@H]1CN(/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1	588560153	LJMFFEUZZWJMRO-HLFMAXKISA-N	303.318	1.541	50	20	DDGD	
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)NC(C)C	491010027	QSVVPJVOHJNLKA-VIFPVBQESA-N	302.375	1.029	50	20	DDGD	
OB(O)[C@@H]1CCN(Cc2ccc(OCC(F)(F)F)cc2)C1	585077997	ZUITXAUBUCOWCV-LLVKDONJSA-N	303.089	1.676	50	20	DDGD	
COC[C@H](C)C(C)=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	826148229	CQLUVCDNYYFJKD-VIFPVBQESA-N	302.338	1.255	50	20	DDGD	
O=C(NN=Cc1ccc(-c2nn[nH]n2)cc1F)c1ccoc1	823273625	SHFQJCRXEXSBJJ-UHFFFAOYSA-N	300.253	1.363	50	20	DDGD	
Cc1nc2ccccc2n1CCCNS(=O)(=O)CCl	829775116	NTJHFOORWIHFKW-UHFFFAOYSA-N	301.799	1.851	50	20	DDGD	
Cc1cc(N(C)C)ccc1CNC(=O)NNC(=O)C1CCC1	734687053	DSXLIPNUNHEDHS-UHFFFAOYSA-N	304.394	1.692	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)c1c[nH]nc1C)O[C@@H](C)C2	735410557	LNIFSVHFSURAQA-VIFPVBQESA-N	314.345	1.814	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)CC2COC2)cc1F	907954286	QSSGJPHKRKTBHK-UHFFFAOYSA-N	313.354	1.188	50	20	DDGD	
COC(=O)[C@@H](CNC(=O)/C(C#N)=C/c1cnn(C)c1)CC1CC1	491129526	GVMFXEPWSPUCLY-YGLIYXGISA-N	316.361	1.033	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)NC1CCC(C(=O)O)CC1	739454519	SDMKSSMLGODCSP-UHFFFAOYSA-N	313.745	1.400	50	20	DDGD	
CC(C)CC(=O)N1CCC(NC(=O)NNC(=O)C2CCC2)CC1	732245036	RAAQIGCIHNKUSX-UHFFFAOYSA-N	324.425	1.154	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cncc(-c2cnn(C)c2)c1	731184390	CHUGEGTXDGMEID-UHFFFAOYSA-N	316.365	1.226	50	20	DDGD	
CC1(C)CCC[C@@H]1CNC(=O)NNC(=O)N=c1cc[nH]cc1	836492581	HEOVNFGBONMUBH-LLVKDONJSA-N	305.382	1.666	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(O)c2ccccc2c1	833236681	URHMYMVVYLYCID-OAHLLOKOSA-N	314.341	1.876	50	20	DDGD	
OB(O)c1ccc(CNCCCCCOC2CCCCC2)o1	585019683	FIUKMQXAKXLAAP-UHFFFAOYSA-N	309.215	1.569	50	20	DDGD	
CC(C)(O)[C@@H](Oc1ccccc1)C(=O)NN=c1cc[nH]cc1	831868437	WMVGLPSUPUIBAT-AWEZNQCLSA-N	301.346	1.165	50	20	DDGD	
COc1ccc(C=NNC(=O)c2ncon2)cc1OCC(C)C	901286079	QGHGRZALGACVKN-UHFFFAOYSA-N	318.333	1.877	50	20	DDGD	
Cc1sccc1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	838105224	MXHYTICQVFHFIB-VIFPVBQESA-N	312.391	1.795	50	20	DDGD	
CC(C)c1cc(NC(=O)c2cccc(B(O)O)c2)n(C(C)C)n1	584970889	IPGNTSCMJXSUMT-UHFFFAOYSA-N	315.182	1.520	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1cccc(C(=O)O)c1)C1CCCC1	833395072	KUKAZCXXBKJAPO-AWEZNQCLSA-N	319.361	1.523	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H]2CCc3n[nH]cc3C2)cc1	838519549	CTLMAZSIWOYKJD-ZDUSSCGKSA-N	315.377	1.992	50	20	DDGD	
OB(O)c1ccccc1CN[C@H]1CCC[C@H]1Cc1ccccn1	585047182	JTSVIUGFKPWWPI-KSSFIOAISA-N	310.206	1.262	50	20	DDGD	
CC(C)[C@@H](NCc1ccc(B(O)O)o1)c1ccc(F)cc1F	585031178	SRALTPVUYBXSDB-OAHLLOKOSA-N	309.121	1.725	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2cc(O)nc3ncccc23)CCO1	913991632	ZNWZUEJLEKDWIR-UWVGGRQHSA-N	302.334	1.594	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@H](C(=O)O)C1)c1ccc(Cl)cc1	833148955	BRPFCLXXZFFNFZ-QWRGUYRKSA-N	324.764	1.992	50	20	DDGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)C1=COCCO1	913524804	MOGLFJRLFRJJEI-UHFFFAOYSA-N	313.766	1.546	50	20	DDGD	
Cc1c(Br)cccc1S(=O)(=O)NNC(=O)O	832849332	DLDFOFBVEVPNOO-UHFFFAOYSA-N	309.141	1.218	50	20	DDGD	
O=C(CCc1cscn1)NNC(=O)COc1ccccc1O	730778748	LYRLQYNFFWORTC-UHFFFAOYSA-N	321.358	1.008	50	20	DDGD	
CCc1c(C(=O)NNc2cccc(Br)n2)cnn1C	837210712	XOIDGGYMOJISAG-UHFFFAOYSA-N	324.182	1.897	50	20	DDGD	
Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)NN	917371679	QUDOJOWLAMTWQU-UHFFFAOYSA-N	323.349	1.538	50	20	DDGD	
NC(=O)C1(C(=O)NNc2ccnc3cc(Cl)ccc23)CC1	732263577	RLEYRUKHHVBSEP-UHFFFAOYSA-N	304.737	1.597	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H]2C[C@@]23CCOC3)ccc1F	837036177	LBALYHUENXLHTQ-IAQYHMDHSA-N	308.309	1.482	50	20	DDGD	
CC(C)(CC#N)CNC(=O)NNC(=O)Cc1ccccc1F	838754207	WGFVQZXRXAUQHY-UHFFFAOYSA-N	306.341	1.638	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1c(C)noc1C	916296060	OWXZGCIXASJAEX-UHFFFAOYSA-N	303.318	1.829	50	20	DDGD	
COc1ccccc1CCNC(=O)NNC(=O)CC(F)(F)F	918060925	WPRDPYIPAJDIAH-UHFFFAOYSA-N	319.283	1.521	50	20	DDGD	
O=C(NNC(=O)c1cccc2c1OCO2)c1ccccc1F	917360885	SSQCKSKMSZLBQS-UHFFFAOYSA-N	302.261	1.629	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)C1(NC(=O)OC(C)(C)C)CCCC1	910166358	VQLPOFOBJDTSNF-NSHDSACASA-N	315.414	1.168	50	20	DDGD	
CC(C)=CC(=O)NCc1ccc(C(=O)NN(C)C[C@@H](C)O)cc1	910164346	VEGAMLAYMKNOOL-CYBMUJFWSA-N	319.405	1.226	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1	910152414	QFOMRMMYCAIMGO-QMMMGPOBSA-N	303.265	1.030	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C(C)(C)C)cc2c1O[C@@H](C)C2	917181449	ILGIVCHCXLZIRJ-VIFPVBQESA-N	306.362	1.826	50	20	DDGD	
COC(=O)c1ccc(Cl)c(C(=O)NN(C)C[C@@H](C)O)c1	910146463	DRUABCCDASACJE-MRVPVSSYSA-N	300.742	1.084	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=C1CCCn2ccnc21	848400677	KRDMWPOVEMIFTJ-UHFFFAOYSA-N	322.372	1.856	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(Br)c(F)cc1F	910153060	QIISSGQSHYOWEJ-LURJTMIESA-N	323.137	1.685	50	20	DDGD	
CC(C)(C(=O)NNc1nc2ccccn2n1)C1CCC(O)CC1	841429561	MEBCVZAMTJZTET-UHFFFAOYSA-N	317.393	1.750	50	20	DDGD	
Cn1ccc(CNC(=O)NNC(=O)c2cc3ccccc3o2)c1	749578470	CCSUQQJUAPJKLH-UHFFFAOYSA-N	312.329	1.916	50	20	DDGD	
CC(=NNC(=O)C(N)=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	749853604	QDVIICZNDWDFSH-SSDOTTSWSA-N	318.160	1.738	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=S)Nc1ccc2c(c1)CCC2	843277698	SPVHYIDMJPVUQZ-YGRLFVJLSA-N	319.430	1.918	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCCCOc1ncccn1	919387718	BVSNSOGTSRKXIJ-UHFFFAOYSA-N	321.830	1.430	50	20	DDGD	
Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NN)cc1	917371688	RVQLLMWOXNHGSK-UHFFFAOYSA-N	305.359	1.399	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)N(C2CC2)C1	748005829	BPMLPNRSQGDOEW-SECBINFHSA-N	304.306	1.049	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@H]1CCn2ccnc2C1	846640271	OTGGMRMCEGKMJA-JTQLQIEISA-N	304.325	1.737	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H](C)c1ccco1	741663125	WWGMDJKKWRDNHG-JTQLQIEISA-N	312.329	1.800	50	20	DDGD	
Cn1ccc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])c1	749854250	JNOYEUFDAMEWGQ-UHFFFAOYSA-N	302.290	1.462	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NC[C@@H]2CCSC2)cc1	845160600	LQVVJZGSXJOLLP-LBPRGKRZSA-N	323.418	1.781	50	20	DDGD	
Cn1ccnc1[C@@H](CC(=O)NNC(=O)C1CC1)C(F)(F)F	847285085	WTARXSCMFMQDTR-MRVPVSSYSA-N	304.272	1.014	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H](C)c1ccc(Cl)cc1	845298210	HRPAVTCWTZEYMV-SNVBAGLBSA-N	313.785	1.810	50	20	DDGD	
CC1(C)COC(=O)[C@@H]1NS(=O)(=O)c1ccc(CCl)cc1	916226767	ZUAIWJLUYUUUNC-NSHDSACASA-N	317.794	1.655	50	20	DDGD	
COc1cc2c(cc1OC)C(=NNC(=O)[C@H]1CCO[C@@H]1C)CC2	842561962	UGRTWHJJPXQLIL-PWSUYJOCSA-N	318.373	1.895	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCCCN1CCNCC1	843287359	BNEVWYMDPUJEMC-NSHDSACASA-N	320.275	1.208	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC=C(c2ccccn2)C1	846922097	FCIFJYMMZOHOCX-LBPRGKRZSA-N	302.378	1.117	50	20	DDGD	
O=C(NNc1c(F)cccc1F)c1cnc2n(c1=O)CCS2	748161651	RYSDHBABVDYTLN-UHFFFAOYSA-N	324.312	1.384	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H](C)NC(=O)CC1CCCCC1	749851355	LFDFKJPAHVFMED-NSHDSACASA-N	312.414	1.202	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@@H](C)CCC(C)C	748611865	DZRGPIAMXIAKRJ-NWDGAFQWSA-N	303.403	1.193	50	20	DDGD	
CC(C)=CCCC(C)=NNC(=O)N[C@H]1CCS(=O)(=O)C1	749158938	ZCNAYKPWVWSOKS-LBPRGKRZSA-N	301.412	1.595	50	20	DDGD	
CO[C@@H](C=NNC(=O)COc1ccc(C)c(C)c1)[C@@H]1CCOC1	841606428	HFFHZYIRJOEZKA-ZBFHGGJFSA-N	320.389	1.836	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1noc2ccc(OC)cc12	841413936	RBMXNCOZZAOTMZ-UHFFFAOYSA-N	306.322	1.071	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NCC2(C#N)CCC2)ccc1F	842200114	LMBDFYXDRVEENN-UHFFFAOYSA-N	320.324	1.932	50	20	DDGD	
CC(C)[C@H](N)CNC(=O)NNC(=O)c1cccc2cccnc12	841943118	GIHCRZIXOLSVOW-CYBMUJFWSA-N	315.377	1.162	50	20	DDGD	
CO[C@H]1c2ccccc2C[C@H]1NC(=O)NNc1ncncc1F	841589101	DDMVOOPIHNHFSK-OLZOCXBDSA-N	317.324	1.554	50	20	DDGD	
CS(=O)(=O)c1ccccc1C(=O)NNc1cccc(C#N)c1	748044684	YFACRQRLWMYETK-UHFFFAOYSA-N	315.354	1.719	50	20	DDGD	
CCN(CC)c1ccc(C=NNC(=O)c2ncccn2)c(O)c1	841659361	FMMUQVDCPJQQQU-UHFFFAOYSA-N	313.361	1.792	50	20	DDGD	
O=C(Cn1ccsc1=O)NNC(=O)c1cccc(Cl)c1	746644423	RWWSUXMMYBPSPA-UHFFFAOYSA-N	311.750	1.024	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1C=O	843973538	YLYMKDMUJGBYEU-WCQYABFASA-N	304.346	1.302	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCN(c2ccccn2)CC1	748260213	QBTVDNIHMNVMIG-CYBMUJFWSA-N	320.393	1.206	50	20	DDGD	
CCS(=O)(=O)CCCNC(=O)NNc1cc(Cl)ccn1	841589307	INKFFPVWTFNRJG-UHFFFAOYSA-N	320.802	1.186	50	20	DDGD	
CCOc1cc(C)ccc1NC(=O)NNC(=O)c1cnccn1	756023678	UBDZDCUREFIBRK-UHFFFAOYSA-N	315.333	1.650	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NN=C2CCCn3nccc32)c1	853322760	BSZUBVNUYRZKTB-UHFFFAOYSA-N	312.333	1.164	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H](C)CN2CCOCC2)cc1F	853771099	MKXJTRKFRXFLRS-GFCCVEGCSA-N	324.400	1.729	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccccc1N1CCCCCC1	755612772	XBBUKHGWAHBVDO-UHFFFAOYSA-N	320.393	1.866	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)C1CCN(C2CC2)CC1)C1CC1	855100228	XLULAFWZTYPLIW-JTQLQIEISA-N	310.467	1.155	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H](C)OCc1cccc(OC)c1	854925481	HCBDTWYPHUWTQP-SNVBAGLBSA-N	311.407	1.068	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccn(C2CCCC2)n1	855090624	JCQFACCJYVCCDG-UHFFFAOYSA-N	321.450	1.907	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(C(=O)N[C@@H](C)CC)cc1	756187068	QGSFFDLIOKLEPQ-JTQLQIEISA-N	306.366	1.778	50	20	DDGD	
Cc1ccc(N2CCN(S(=O)(=O)CCl)CC2)c(C)c1	851870161	BUJGRPAXEWWKTC-UHFFFAOYSA-N	302.827	1.952	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ncc(Cl)cn2)[C@@H]2CCCC[C@H]2N1	857359058	PZGIHIGIBWPRRY-GARJFASQSA-N	323.784	1.268	50	20	DDGD	
COC(=O)c1nc(=NC[C@]2(C)C[C@H]2Br)cc[nH]1	856787225	MUPXDGXVENQYJM-HQJQHLMTSA-N	300.156	1.271	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ccnc(Cl)c1)N1CCCC1=O	855469097	STCBTCVODDKWPI-ZDUSSCGKSA-N	310.785	1.825	50	20	DDGD	
NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1cccc(C(F)(F)F)n1	857133275	DWTBIVHWFLYBAS-RQJHMYQMSA-N	302.256	1.055	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CCc3ncncc3C2)C[C@@H]1Br	857385455	IGHLGCANRZFDPW-LJWDBELGSA-N	324.222	1.871	50	20	DDGD	
Cn1nc(C2CC2)nc1CC(=O)NNc1ccc(Cl)cn1	856094384	HNCOONQWACPBSW-UHFFFAOYSA-N	306.757	1.427	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2CCN(C(C)(C)C)C2)n1	852466950	YPIMDLBLBPGCMN-GFCCVEGCSA-N	306.414	1.592	50	20	DDGD	
CC[C@H](C)c1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1	755064397	PNEDPODTHXJRCA-JTQLQIEISA-N	303.362	1.240	50	20	DDGD	
COCCCNC(=O)NN=C1CCN(C(C)=O)c2ccccc21	857206985	OQUZTVYBAPTUIH-UHFFFAOYSA-N	318.377	1.483	50	20	DDGD	
CN(C)S(=O)(=O)N(CC#N)CCO[Si](C)(C)C(C)(C)C	853698388	PWTRZGPDLWLZMY-UHFFFAOYSA-N	321.519	1.640	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NOCCN1CCCC1=O	856042479	GJHLMAOOTPJIET-JTQLQIEISA-N	321.215	1.466	50	20	DDGD	
CCN(CCNC(=O)NNc1ncc(Cl)cn1)C(C)C	856856805	YLIRIOUCSSPWAG-UHFFFAOYSA-N	300.794	1.486	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)OCC(F)(F)F)c1C	856022340	ZKUXUFLWHCIOLA-UHFFFAOYSA-N	322.287	1.925	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2cn3ccccc3n2)n1	753681427	GIIKEAJEAITAQB-UHFFFAOYSA-N	303.713	1.117	50	20	DDGD	
Cc1ncoc1C(=O)NNC(=O)c1cc2ccccc2cc1O	751059241	YIUDERDAJISPIJ-UHFFFAOYSA-N	311.297	1.917	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccccn2)ccc1N(C)C	755748350	ZLLJMAXNQXLLOF-UHFFFAOYSA-N	313.361	1.923	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)COC(F)(F)F)cc1	936035557	GITJOEHNWDKWBF-UHFFFAOYSA-N	320.267	1.312	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H](C)C[C@@H]1CCOC1	759751692	WREDAHZQZFMKGG-NEPJUHHUSA-N	321.377	1.454	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)C1C[C@@H]2CCC[C@H](C1)C2=O	857355966	QJAZVLSIBBCYOZ-ULKQDVFKSA-N	308.769	1.969	50	20	DDGD	
CCC(=NNC(=O)[C@H]1COc2ccccc2O1)c1ccn(C)n1	758068668	RRRPOGYIRBIJKN-OAHLLOKOSA-N	314.345	1.490	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cnn(-c2ccccc2Cl)c1	756704663	JMYHSFBFVWDSQF-UHFFFAOYSA-N	323.740	1.325	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCOCCN(C)C	753431186	CLVGTXBLSXRCNN-UHFFFAOYSA-N	316.833	1.047	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)NC(=O)CS2	755548647	BAGDRGHZRQYTCU-QMMMGPOBSA-N	322.390	1.930	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cc(-c2ccccc2O)[nH]n1	863868951	GVTALPPGMNLKDA-UHFFFAOYSA-N	300.318	1.343	50	20	DDGD	
CON1CCC(N(C)S(=O)(=O)CC(C)(C)CCl)CC1	867375951	JEYNEGAPWLXJEJ-UHFFFAOYSA-N	312.863	1.539	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2nccn3cc(C)nc23)cc1	761398299	BWWKJXBQGAZBMH-UHFFFAOYSA-N	323.356	1.675	50	20	DDGD	
Cc1noc(C2CN(C(=O)c3c(C)nn(CCCl)c3C)C2)n1	765655286	HMOFAUOSNZHEPC-UHFFFAOYSA-N	323.784	1.670	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(C(F)(F)F)cn2)n[nH]1	765587359	BCMVSLCEXUYVCP-UHFFFAOYSA-N	313.239	1.207	50	20	DDGD	
C[C@H](NNC(=O)CNC(=O)Nc1ccccc1)C(F)(F)F	862305998	ALFPEOWOYJVSIW-QMMMGPOBSA-N	304.272	1.380	50	20	DDGD	
Cc1ccc([C@@H](C)[C@H](O)C(=O)NNC(=O)c2ccc[nH]2)cc1	764632527	MJTSYGLYMXNZHI-RISCZKNCSA-N	301.346	1.249	50	20	DDGD	
O=C(Nc1cccc(NC2CCCC2)c1)c1ccc(B(O)O)cc1	869364148	SZWCFDDJTDORNZ-UHFFFAOYSA-N	324.189	1.973	50	20	DDGD	
COC1(C=NNC(=O)Nc2ccc(C(=O)O)cc2)CCOCC1	761810743	REZOUPCBCUFOGM-UHFFFAOYSA-N	321.333	1.688	50	20	DDGD	
COc1cccc(NNC(=O)c2cccn(CC(C)C)c2=O)n1	935294929	FGEJVPONYVDAJQ-UHFFFAOYSA-N	316.361	1.665	50	20	DDGD	
Cc1cc(-c2nnco2)ccc1NCc1ccccc1B(O)O	864025798	VDHSXFTULHHJHT-UHFFFAOYSA-N	309.134	1.337	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)Nc1cccc2ccncc12	764144582	YBSUWFDQUYSLBQ-UHFFFAOYSA-N	312.329	1.121	50	20	DDGD	
CC(C)CCOc1ccc(C=NNC(=O)[C@H]2CCC(=O)N2)cc1	863144791	ALYMFEJRXMHHKC-OAHLLOKOSA-N	317.389	1.840	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)C[C@H]1CCCC(F)(F)C1	867117895	JQPPKHNJBQXPHD-VIFPVBQESA-N	313.370	1.308	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1cnc(C2OCCO2)s1	761806961	KDLGPYVKFDOQQF-UHFFFAOYSA-N	318.358	1.276	50	20	DDGD	
Cc1ccn2ncc(C(=O)NNC(=O)NCc3ccco3)c2c1	766841633	QOTQWELPYKHIIU-UHFFFAOYSA-N	313.317	1.380	50	20	DDGD	
CCOC(=O)c1ccc(C=NNC(=O)NCC(F)(F)F)[nH]1	872344120	IAZRKMISVIOVFY-UHFFFAOYSA-N	306.244	1.387	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNc2nc(-c3cccnc3)no2)CCC1=O	764127198	RMQZPUFZZRCTMF-VHSXEESVSA-N	315.333	1.580	50	20	DDGD	
O=C(NNC(=O)C1CC1)C1=C(c2ccccc2)SCCO1	873751708	VKJBQCBVELFACC-UHFFFAOYSA-N	304.371	1.676	50	20	DDGD	
O=C(C[C@H]1CCS(=O)(=O)C1)NNc1cc(Cl)ccc1F	871272022	IMDKJWQZSWVULE-MRVPVSSYSA-N	320.773	1.747	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N(C)CCc2cnccn2)c1	1118810824	MXVRWTIPSFILOF-UHFFFAOYSA-N	319.390	1.375	50	20	DDGD	
Cc1cc(NC(=O)NNc2ncc(F)cn2)ccc1C(N)=O	775601759	ZQFUGIZXIYRFDT-UHFFFAOYSA-N	304.285	1.172	50	20	DDGD	
O=C(NN=Cc1cccc(CC2CCC2)c1)[C@H]1COCCO1	872353594	MTPHKWAXMMDGCJ-MRXNPFEDSA-N	302.374	1.895	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)c2nc3ccccc3s2)CO1	873053598	LUFBDLGRBISFLH-DTWKUNHWSA-N	320.374	1.418	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc(OCC(F)F)cc1	779817309	OHRCUHBOUMCCGY-UHFFFAOYSA-N	315.276	1.137	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccc(O)c2O)cc1	1116849424	PWBUBBFMBCSHKI-UHFFFAOYSA-N	302.286	1.181	50	20	DDGD	
COCC(C)(C)NCC(=O)NNC(=O)c1cccc(Cl)c1	772740088	HTAVGOPCFJAINX-UHFFFAOYSA-N	313.785	1.116	50	20	DDGD	
COc1ccnc(NNC(=O)C(=O)Nc2cccc(F)c2C)n1	773723656	FHMYPNJLSIALSE-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H](NC(=O)[C@@]2(C)C[C@H]2Br)C1	1119637195	YYPYDFBYAVDUHP-SREGZZRCSA-N	304.184	1.618	50	20	DDGD	
N#CCc1ccccc1CC(=O)NNC(=O)Cc1cccnc1	776892994	JXMDKAHVYFWQSE-UHFFFAOYSA-N	308.341	1.080	50	20	DDGD	
Cc1cc(F)c(CC(=O)NNC(=O)C2CCOCC2)cc1F	883070830	FKFAGHZRKCXCBE-UHFFFAOYSA-N	312.316	1.390	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)co1	776318188	QMRQSPRVPNFGBG-UHFFFAOYSA-N	303.362	1.960	50	20	DDGD	
CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)NNC(=O)C1CCOCC1	883692598	HMPDOCITAQPGFU-STQMWFEESA-N	311.426	1.958	50	20	DDGD	
COc1cc(Cl)ccc1NC(=O)C(=O)NNc1cnccn1	773479418	URVKPLKUJSRGHN-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C1(c2ccccc2)CCOCC1	887141704	FKCKXLDAHRHQDG-UHFFFAOYSA-N	314.385	1.686	50	20	DDGD	
Cn1c(=O)oc2cc(NC(=O)NNc3ncc(F)cn3)ccc21	775599621	KUNCQEGGENNHDR-UHFFFAOYSA-N	318.268	1.209	50	20	DDGD	
NC(=O)c1ccc(F)c(NC(=O)NNc2ncc(F)cn2)c1	775533879	QKFGAWRFJHVGFH-UHFFFAOYSA-N	308.248	1.002	50	20	DDGD	
COc1ccc(C(=O)NCCCSC#N)cc1-n1cnnn1	773594496	VTVSWPCITQSPQY-UHFFFAOYSA-N	318.362	1.005	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Nc1csc(C)c1	880639566	KKGARTIVIFJVKU-UHFFFAOYSA-N	315.395	1.998	50	20	DDGD	
Cn1ncc(NC(=O)NNc2ncc(F)cn2)c1C(F)(F)F	782104335	ONFBCWZFXCAVTO-UHFFFAOYSA-N	319.222	1.517	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1COCc2ccccc21	782170244	FMTNHJLEQACJAU-ZDUSSCGKSA-N	317.389	1.005	50	20	DDGD	
Cc1c(NNC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)cccc1[N+](=O)[O-]	787133841	LEEVITURSDFYFR-MNOVXSKESA-N	320.349	1.638	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C2CCOCC2)cc(OC)c1C	883058798	BWQVOQBIOKMCOV-UHFFFAOYSA-N	322.361	1.200	50	20	DDGD	
Cn1nc([C@@H]2CCCO2)cc1NC(=O)NNC(=O)C1CCCC1	788723515	ADZCGFHJEVBZSD-LBPRGKRZSA-N	321.381	1.615	50	20	DDGD	
CC[C@H]1C[C@@H](CC(=O)NNC(=S)NCCSC)CCO1	781715743	NOTDZIIHFNZQBM-QWRGUYRKSA-N	319.496	1.440	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(C[C@@H](C)NS(=O)(=O)CCCCl)C1	881981974	PEDULMKPVULFJN-FRRDWIJNSA-N	310.891	1.901	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1ccc(NC(C)=O)cc1	781588630	WGBNNBIPGLGDHH-UHFFFAOYSA-N	306.366	1.705	50	20	DDGD	
CC1(C)OC[C@@H](CNC(=O)NNc2cc(F)c(F)cc2F)O1	783270471	UQOZXIBMPFICRJ-SSDOTTSWSA-N	319.283	1.882	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2	1123733352	IOEXHVYHIRSUPC-RRFJBIMHSA-N	317.389	1.660	50	20	DDGD	
C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)N1CC=C(C#N)CC1	780684701	IRNOLDYJBCHHGH-LLVKDONJSA-N	323.356	1.363	50	20	DDGD	
CN(NC(=O)NC[C@H]1CCCCS1(=O)=O)c1ccccc1	784443929	UGGBCMFYPZJFFK-CYBMUJFWSA-N	311.407	1.304	50	20	DDGD	
CC(=O)N[C@](C)(C(=O)NNc1nc2ccccc2n1C)C(C)C	899096054	PEEBSKYQMOMFPF-INIZCTEOSA-N	317.393	1.567	50	20	DDGD	
CNC(=O)NNC(=O)CCCCCC(=O)c1ccc(OC)cc1	789169642	AQJMTXGTEMJWJM-UHFFFAOYSA-N	321.377	1.789	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)c1cc(-c2ccccc2)on1	797608880	NZCSSMGZCRCYLJ-INIZCTEOSA-N	317.345	1.918	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2O)o1	794241679	MCRWVUSTVPMPNY-UHFFFAOYSA-N	305.677	1.585	50	20	DDGD	
CC(=NNC(=O)NCc1ccco1)c1ccc(N)c([N+](=O)[O-])c1	799109984	MJGQOTLZSHTHDX-UHFFFAOYSA-N	317.305	1.993	50	20	DDGD	
Cc1c[nH]cc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])c1=O	791071061	WFSVIWKDZPVNJT-UHFFFAOYSA-N	306.253	1.488	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCC1(CC#N)CC1	797566706	REYFKFLYPZVSIQ-UHFFFAOYSA-N	302.334	1.333	50	20	DDGD	
CC1(C)CC(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)C1	795195778	JJBVCBUKEKDVOV-UHFFFAOYSA-N	324.402	1.287	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1c[nH]nc1-c1ccoc1	790023673	WOLIMZLMAZZZOT-UHFFFAOYSA-N	303.709	1.897	50	20	DDGD	
CSSCCNC(=O)CCNC(=O)c1ccsc1	791099167	DFLJAKRPBIJMAH-UHFFFAOYSA-N	304.462	1.995	50	20	DDGD	
N#Cc1ccc(C[C@@H](C#N)C(=O)NNC(=O)CC2CCCC2)cc1	792637580	HLLOVPASQVVBON-INIZCTEOSA-N	324.384	1.968	50	20	DDGD	
C[C@H]1COC(=O)C1=NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	794920616	QIMDYACVHPVDQU-QMMMGPOBSA-N	316.292	1.495	50	20	DDGD	
C[C@H](Cn1ccnc1)NC(=O)NNc1ccc(C(C)(C)C)nn1	1318639358	MMDZVAUWPAVMDC-LLVKDONJSA-N	317.397	1.685	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H](C)c1ccc(F)c(F)c1	1318696431	JPKVOYQPAVWMBC-QMMMGPOBSA-N	301.362	1.972	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCCC[C@H]2N(C)C)o1	1319135144	KPQQXIIRXBDIEH-VXGBXAGGSA-N	308.382	1.405	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1318045643	KNTJFEKVHQOCFA-JTQLQIEISA-N	306.366	1.031	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1ccc(C(=O)OC)cc1	1322954968	STDDVPJIPLOQMS-VIFPVBQESA-N	310.375	1.511	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)Cc2cccnc2C)cc1	1328887884	UGLHYDCGMRXMMO-UHFFFAOYSA-N	312.373	1.500	50	20	DDGD	
CC(C)Cn1ncc(C(=O)NNC(=S)NC(C)C)c1C1CC1	1323304881	YKSHDRBKOIDFKE-UHFFFAOYSA-N	323.466	1.934	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)c2cn[nH]c2)[C@H]1c1ccncc1	1331536490	FVOCGBRHOYZSIF-LBPRGKRZSA-N	314.349	1.242	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ccc([N+](=O)[O-])s2)c1Cl	1253123970	NHLRBFQDKLZQAV-UHFFFAOYSA-N	314.714	1.439	50	20	DDGD	
CN(CC(=O)NNC(=O)C(C)(C)C)Cc1cc(C(C)(C)C)n[nH]1	1256026817	XVNAZRBXFSTVFD-UHFFFAOYSA-N	323.441	1.333	50	20	DDGD	
O=C(NCc1cccc(C(F)(F)F)c1)NNC(=O)[C@@H]1C[C@H]1F	1348713576	ZPWYBKBJRNMNQM-NXEZZACHSA-N	319.258	1.894	50	20	DDGD	
CC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)CCl	1341523714	HTXWFQOUYRKSAJ-UHFFFAOYSA-N	304.799	1.941	50	20	DDGD	
O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1C[C@H]1F	1349341930	FXNHBOYLFJZSFW-DTWKUNHWSA-N	308.281	1.484	50	20	DDGD	
Cc1nc([C@@H](C)NC(=O)NNC(=O)c2cccc(Cl)c2)no1	1346278180	UHRUOLBQKNHKBL-SSDOTTSWSA-N	323.740	1.737	50	20	DDGD	
CC(=NNC(=O)c1n[nH]c2c1CCCC2)C1CCN(C)CC1	1347630519	UUHQQODTEMAZJB-UHFFFAOYSA-N	303.410	1.736	50	20	DDGD	
NC(=O)COC1CCN(C(=O)C2CCC(Cl)CC2)CC1	1519363018	OZZFTRPKEVYWKZ-UHFFFAOYSA-N	302.802	1.277	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H]3C[C@H](C)CN3C2)o1	1528017329	MFRXMIKVBXZBON-UHTWSYAYSA-N	305.378	1.469	50	20	DDGD	
CCN(CC)CC[C@@H](C)NC(=O)NNc1nc(C)cc(C)n1	1524019815	VTPAIBJOJZNUGN-LLVKDONJSA-N	308.430	1.840	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1ccc(C(=O)O)cc1	1601370440	ZZGMQWCZLVFYTO-UHFFFAOYSA-N	314.301	1.175	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)C12CC(C(=O)O)(C1)C2	1608318308	YHVOEGUPQYGQFG-UHFFFAOYSA-N	302.330	1.022	50	20	DDGD	
Cc1nc(N)nc(C)c1C(=O)NNc1cccc(C(=O)O)c1	1607959800	DUNUHXNCWMQERX-UHFFFAOYSA-N	301.306	1.131	50	20	DDGD	
O=C(/C=C\c1cc(C(=O)O)co1)NNC(=O)c1ccccc1F	1608283900	GTCPTKPSTXWQIY-WAYWQWQTSA-N	318.260	1.591	50	20	DDGD	
O=C(O)C1CN(C(=O)[C@@]2(c3ccccc3)C[C@@H]2Br)C1	1601840318	SIHFXFGGXOEHAW-SMDDNHRTSA-N	324.174	1.635	50	20	DDGD	
COc1c(C(=O)O)ncnc1N1C[C@H]2[C@H](Br)[C@H]2C1	1607012387	WKPTYRDAIAUOLW-ZMONIFLSSA-N	314.139	1.013	50	20	DDGD	
C[C@H](Oc1cccnc1)C(=O)NNc1cccc(F)c1C(=O)O	1604448568	BFYCCIRJHDURAN-VIFPVBQESA-N	319.292	1.830	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)Nc1ccc(F)cn1	1606861431	BCJWKLPSFJZBRU-UHFFFAOYSA-N	314.284	1.549	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[C@@H](C(=O)O)C1	1601559225	OIXNHUKZUUANSX-JGVFFNPUSA-N	311.269	1.678	50	20	DDGD	
Cc1c(NNC(=O)NC2CC(CC(=O)O)C2)cccc1[N+](=O)[O-]	1600051834	XCNWAIAAJZTVAE-UHFFFAOYSA-N	322.321	1.783	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2csc(C3CC3)n2)nc1	1608905027	VEZABOFUONATLC-UHFFFAOYSA-N	304.331	1.871	50	20	DDGD	
Cn1cc(C(=O)O)c(NC(=O)NNc2cccc(Cl)c2)n1	1608103927	XJTFVKIXACGRCS-UHFFFAOYSA-N	309.713	1.920	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)OCCCC(=O)C(=O)O	1609653882	YXAQCRIROXRKMO-QMMMGPOBSA-N	309.156	1.773	50	20	DDGD	
O=C(O)[C@@H](NNC(=O)[C@H]1CCCCO1)c1ccccc1Cl	1601557043	GPKSDOYPURHNOX-NEPJUHHUSA-N	312.753	1.656	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(OCC(=O)O)cc1C	1605618099	FWBQHAABSSJRMK-DHZHZOJOSA-N	304.302	1.841	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(C(=O)O)c(C)cc1C	1610036320	VDNOVOXSMCZPQN-UHFFFAOYSA-N	309.322	1.191	50	20	DDGD	
Cc1ccc2c(c1)CCC2=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549315963	DGVZQUQWQFMUTE-YOEHRIQHSA-N	313.401	1.625	50	20	DDGD	
O=C(NC[C@H]1CCSC1)NNc1ccc(C(=O)O)c(F)c1	1610689704	DSJSBOGMKNDDMF-MRVPVSSYSA-N	313.354	1.903	50	20	DDGD	
O=C(NN[C@@H](C(=O)O)c1c(F)cccc1Cl)c1ccc[nH]1	1610700554	RHRZZIGMNDGWMP-LLVKDONJSA-N	311.700	1.868	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C=NNC(=O)c1ccnnc1	1552453167	JQWYJDAFPIRKCG-DGCLKSJQSA-N	314.349	1.094	50	20	DDGD	
CNNC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1	1578744262	BQCDFJVWRAYGNK-NSHDSACASA-N	311.407	1.114	50	20	DDGD	
C[C@H](N)CC(=O)NNc1ccccc1I	1579478070	OVQVYWNNMGFCCR-ZETCQYMHSA-N	319.146	1.472	50	20	DDGD	
N[C@@H](C(=O)NNC(=O)NCCc1cccs1)c1ccccc1	1574261763	FHBWIOGPONCJHV-CYBMUJFWSA-N	318.402	1.321	50	20	DDGD	
O=C(NNC(=O)[C@]1(C(=O)O)CC=CCC1)c1cccc(Cl)c1	1574578738	NDUPMJUCVUQWSM-HNNXBMFYSA-N	322.748	1.912	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H](C(C)C)[C@H](C)N)c1	1579672613	JXXWDZZFYSHDDX-BBRMVZONSA-N	321.421	1.449	50	20	DDGD	
CN(N)C(=O)c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)no1	1573882239	AWCVQYRAFULFPV-UHFFFAOYSA-N	324.381	1.735	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2C[C@H]3CC[C@H]2NC3)c1C	1578878242	SKCOULDJBVBPME-OSAQELSMSA-N	317.389	1.613	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1cnccc1-c1nn[nH]n1	1582562015	AGNBTUHYDYCOTR-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
NCc1ccc(CNC(=O)NN=c2cc[nH]c3cccnc23)cc1	1580337343	FFDVVBDYCCCNCM-UHFFFAOYSA-N	322.372	1.337	50	20	DDGD	
CC(C)c1nnsc1C(=O)NNc1ccc(C(=O)O)cn1	1592093905	YEPLYSIOUXDWDZ-UHFFFAOYSA-N	307.335	1.512	50	20	DDGD	
C[C@H](CNC(=O)NNc1ccc(F)c(C(=O)O)c1)N(C)C1CC1	1592676100	LGBRCRIQTBEDFJ-SECBINFHSA-N	324.356	1.633	50	20	DDGD	
COc1ncccc1C(=O)NNc1ccc(C)c(C(=O)O)c1	1599736598	BVPFXMKWQQAMDU-UHFFFAOYSA-N	301.302	1.854	50	20	DDGD	
O=C(NN=C[C@H]1CCSC1)c1ccc(-c2nn[nH]n2)cc1	1593155158	CGJHFXNJDHRGKM-SECBINFHSA-N	302.363	1.335	50	20	DDGD	
CCOc1ccc(NNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)cc1	1590838768	BFCWKQWNDKPSQW-UHFFFAOYSA-N	313.321	1.350	50	20	DDGD	
Cc1nc2sccn2c1C(=O)NNc1ncccc1C(=O)O	1594468234	OOQCAFSMRCAGMF-UHFFFAOYSA-N	317.330	1.554	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1ccc(OC)c(C(=O)O)c1	1776129568	NUYKKTMRAQDVLV-XYOKQWHBSA-N	318.329	1.453	50	20	DDGD	
C[C@H](Oc1cccc(C=NNC(=O)c2cn[nH]c2)c1)C(=O)O	1776093960	UHCBFECFNRXMLV-VIFPVBQESA-N	302.290	1.026	50	20	DDGD	
Cc1[nH]nc2ncc(C=NNC(=O)c3ccc(C(=O)O)cc3)cc12	1776100071	OTUGUPCAIDDSIN-UHFFFAOYSA-N	323.312	1.728	50	20	DDGD	
O=C(NN[C@H]1CCS(=O)(=O)C1)Nc1cccc2ccccc12	11006520	DVZQDKRVVFKYCY-LBPRGKRZSA-N	319.386	1.653	50	20	DDGD	
CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)Br)C2	1795489971	BXDJEDAKXXDWSL-MMWGEVLESA-N	317.227	1.818	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1cccc(Cl)c1Cl	16129872	VAKKATSPXLINFH-UHFFFAOYSA-N	313.162	1.933	50	20	DDGD	
O=C(CCc1nc(C2CCCC2)no1)NNc1cnccn1	160919198	PXADMRMFORSLKE-UHFFFAOYSA-N	302.338	1.593	50	20	DDGD	
Cn1cc(CCC(=O)NNc2nc(C(F)(F)F)cs2)cn1	152875511	PEIARGRKCOMFNN-UHFFFAOYSA-N	319.312	1.971	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)Cn2ccc3ccccc32)co1	155845046	KGMCHEGLFMXCQI-UHFFFAOYSA-N	312.329	1.653	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)c1	159203191	OPLPGYRITXPCSL-LBPRGKRZSA-N	313.361	1.523	50	20	DDGD	
COc1ccc(NNC(=O)CNC(=O)CC2CCCC2)nc1	159390347	VHDIADUAQHKYKY-UHFFFAOYSA-N	306.366	1.230	50	20	DDGD	
COc1ccnc(NNC(=O)/C=C\c2ccc3c(c2)OCO3)n1	207786348	BVERSUPDDDXYSF-HYXAFXHYSA-N	314.301	1.370	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)c2cccc3ncccc23)[nH]n1	106811943	MFYKCGKUFHNDIS-UHFFFAOYSA-N	323.356	1.985	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(Cl)nn1)C(C)(C)CN(C)C	119676216	MPZOCBUPEHCWIV-VIFPVBQESA-N	314.821	1.732	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)o1	112823783	XPTQWRTYIHBVLZ-UHFFFAOYSA-N	310.313	1.849	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1cccc(Cl)c1	179361440	APAYCXAABPYCSO-ZDUSSCGKSA-N	323.780	1.502	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)NC(=O)NNc1ccc(Cl)c(F)c1	175510751	ZCLFNBLEKZZYRK-ZETCQYMHSA-N	323.777	1.538	50	20	DDGD	
O=C(CN1CCCCCC1=O)NNc1ccc([N+](=O)[O-])cc1	177996684	NCZIRIYCLNQUIO-UHFFFAOYSA-N	306.322	1.441	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccccc1F)c1ccccn1	66908453	BVXOPHACVOYJJJ-LLVKDONJSA-N	316.336	1.855	50	20	DDGD	
O=Cc1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)[nH]1	175187749	DFLIUSTUQZBPMQ-UHFFFAOYSA-N	324.296	1.557	50	20	DDGD	
COCCN(Cc1ccccn1)S(=O)(=O)CCCCl	37842888	DKHASUBJZDAACK-UHFFFAOYSA-N	306.815	1.489	50	20	DDGD	
CCC[C@H]1C[C@@H](C(=O)NNc2nc(C)cc(OC)n2)CCO1	184108766	POIIOCBVFFGUNY-RYUDHWBXSA-N	308.382	1.832	50	20	DDGD	
COc1cccc(-c2cc(C(=O)NNc3ncccn3)[nH]n2)c1	122199065	LDPAVGJJUKWOQN-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
CO[C@@H](C)CCC(=O)NNC(=O)COc1cc(C)ccc1C	182965079	GZEQJPRJHONDBL-ZDUSSCGKSA-N	308.378	1.645	50	20	DDGD	
Cc1ccc(CCCC(=O)NNC(=O)C(=O)N2CCCC2)s1	79685955	XCGVGYWEVSSLMO-UHFFFAOYSA-N	323.418	1.149	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H]2CCC[C@H]3OCC[C@H]23)n1	181456353	DJTGBNIJWVVYSJ-GRYCIOLGSA-N	306.366	1.674	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)C(C)(C)C)N(C)c1ccccc1	79266800	ZMUQWAFSACXHJO-GFCCVEGCSA-N	306.410	1.888	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)CC[C@@H]2CCCO2)c1	78465245	ULFDAFNYNGZSKB-AWEZNQCLSA-N	320.389	1.789	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H](C(=O)NNc1cccnn1)C2	77030697	NAMRVRPDJMZIAJ-NSHDSACASA-N	300.318	1.180	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(Cl)ccc1C	124764870	WTMSQIZLLGXTDA-MRVPVSSYSA-N	311.769	1.780	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCC[C@@H]2CCO)s1	188380399	UXIKPYPXDAPIEV-MNOVXSKESA-N	311.407	1.552	50	20	DDGD	
CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(S(=O)(=O)CBr)[C@H]31	375679724	OCSREXOSODOXDH-RXKWGBCNSA-N	310.213	1.024	50	20	DDGD	
Cc1cc(NC(=O)CSCC(=O)NNc2ccccc2)no1	70716625	YZJFABMTOJOANL-UHFFFAOYSA-N	320.374	1.798	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	78362142	VPXHRZDTONTNFT-UHFFFAOYSA-N	309.329	1.490	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2ccncc2F)cc1	184127218	IZSHJJPUYHFRAK-UHFFFAOYSA-N	318.308	1.761	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc(Br)c[nH]1	43635734	SSWHVOPASCHUEI-UHFFFAOYSA-N	301.144	1.131	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](C)CN2CCCCC2)o1	84417898	YMJWGCFGXCDFIP-LLVKDONJSA-N	308.382	1.406	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1ccc(-n2nc(C)cc2C)cc1	139169090	NCVXUDORJAZROI-UHFFFAOYSA-N	315.377	1.382	50	20	DDGD	
O=C(NNc1ccccn1)N[C@H]1CC(=O)N(c2ccccc2)C1	195173042	QNJSAUJIGGZXDL-LBPRGKRZSA-N	311.345	1.513	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ncnc3ccsc23)s1	132670678	IKHLGJTUEICUFD-UHFFFAOYSA-N	319.371	1.609	50	20	DDGD	
C#CCN1CCC(C(=O)NNC(=O)CCc2ccccc2)CC1	132410529	CJSATZPBIWBIAT-UHFFFAOYSA-N	313.401	1.112	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)NCc1cccc(C(F)(F)F)c1	191788058	MPSRJTWDYFFNEC-UHFFFAOYSA-N	319.283	1.307	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)Cc2ccncc2)c(C(C)C)n1	81026207	DEDCNYMZHNUNDP-UHFFFAOYSA-N	313.361	1.307	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)CCN2CCCS2(=O)=O)c1	194148732	DBANHUHVZKIWIF-UHFFFAOYSA-N	311.407	1.172	50	20	DDGD	
Cn1c(=NNC(=O)NC[C@H]2CCCO2)sc2ccccc21	255229790	WCHVBJSNPQVVMB-SNVBAGLBSA-N	306.391	1.534	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H]2CCCN2C2CCCC2)n1	269661415	XSVWJNLUKANWBG-GFCCVEGCSA-N	305.382	1.335	50	20	DDGD	
COCCOCc1cc(C(=O)NNC(=O)C2CCC2)ccc1F	266177113	XQCRJPKQFJLDGB-UHFFFAOYSA-N	324.352	1.550	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CCCOCC2)c1	272665715	NZFKIUUTYXERDT-LBPRGKRZSA-N	307.350	1.668	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCSC[C@@H](C)C1	277149814	HJZKZIDUKOKFCQ-NSHDSACASA-N	323.418	1.735	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@H]1CCC[C@@H]1CCO	275422449	UJVDIPNJZRZUIP-MFKMUULPSA-N	309.341	1.321	50	20	DDGD	
COc1nccnc1NNC(=O)CC1CCC2(CC1)OCCO2	276651778	SALBDRDTGHTNTB-UHFFFAOYSA-N	322.365	1.252	50	20	DDGD	
Cc1ccc(NNC(=O)C(C)(C)NC(=O)C(F)(F)F)cc1	277263757	LTFAMBOELZUEPB-UHFFFAOYSA-N	303.284	1.895	50	20	DDGD	
CC(C)(NC(=O)C(F)(F)F)C(=O)NNc1cc(Cl)ccn1	277260868	GCTWGSMPHQCNFX-UHFFFAOYSA-N	324.690	1.635	50	20	DDGD	
CCOC(=O)N1CCCN(C(=O)NCCSSC)CC1	367586308	GYGMDRGHUOAWBQ-UHFFFAOYSA-N	321.468	1.871	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1C[C@H](C)O[C@@H](C2CC2)C1	279678400	PPVHDMAVLOKHJP-SWLSCSKDSA-N	317.389	1.849	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(C2CC2)on1	271462758	SWBUAAZCGATHBP-UHFFFAOYSA-N	300.409	1.024	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccccc1S(C)(=O)=O	273350249	SWIBYDRQJTVYJG-SECBINFHSA-N	313.379	1.289	50	20	DDGD	
CC(C)(C)OCc1cc(C(=O)NNC(=O)c2ccccn2)no1	274523022	XBSXUIKERACYBO-UHFFFAOYSA-N	318.333	1.460	50	20	DDGD	
C[C@H]1c2nncn2CCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	279312751	NPNZOODMOIUNEU-LFTLCWSBSA-N	309.329	1.494	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2C[C@@]23CCOC3)c([N+](=O)[O-])c1	372052783	HOFRKQPPDUCMKB-QMTHXVAHSA-N	307.306	1.473	50	20	DDGD	
CC[C@@H]1C[C@H](CC(=O)NNC(=S)Nc2ccccn2)CCO1	273069478	FIUQRBCJUWVOJT-VXGBXAGGSA-N	322.434	1.995	50	20	DDGD	
CCc1cccc(C)c1NC(=O)NNC(=O)[C@@H](C)OCCOC	272339905	MIKZWFVAEGRYLX-GFCCVEGCSA-N	323.393	1.762	50	20	DDGD	
CCOC1CC2(CCN(S(=O)(=O)CBr)C2)C1	375643711	XRNCEGDJQKXLDB-UHFFFAOYSA-N	312.229	1.560	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N[C@H](CO)CC2CCC2)cc1	280421061	ZBLWEAXXMRQBJE-AWEZNQCLSA-N	316.361	1.053	50	20	DDGD	
CCCC[C@@H](C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	282556869	NNTUOPVKPMTESS-RISCZKNCSA-N	306.362	1.800	50	20	DDGD	
CC1CCC(OCC(=O)NNC(=O)NCc2ccco2)CC1	280518634	HMXLHNUSDMJOOF-UHFFFAOYSA-N	309.366	1.705	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H]1C(=O)NNc1ccc(OC)c(Cl)c1	286095078	OCBUIESYWSNLDF-NXEZZACHSA-N	312.753	1.991	50	20	DDGD	
C[C@H](CNC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccncc1	285110165	MQKOZMCEXSGVQW-SNVBAGLBSA-N	322.365	1.003	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C[C@@H](C)CC(=O)OC)cc1	288912622	OUWOWKTVIOXTEY-LLVKDONJSA-N	306.362	1.599	50	20	DDGD	
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NNc1nc(C)cc(OC)n1	281727566	FRCMAJKCDKPRRP-DGCLKSJQSA-N	321.381	1.401	50	20	DDGD	
O=C(NCC(Cl)Cl)[C@@H]1CC(=O)N(Cc2ccccc2)C1	288163457	HWNKLGLQEMRMAH-LLVKDONJSA-N	315.200	1.955	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)C1CCN(CC(F)F)CC1	288207580	REIGFQFZZWMOKC-UHFFFAOYSA-N	324.335	1.150	50	20	DDGD	
CC1=C(C(=O)NNc2ccnc(F)c2)[C@H](C)n2ncnc2N1C	282453092	SUWKLGNVLXGBOP-VIFPVBQESA-N	317.328	1.240	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	280941643	IVYZRYYCUGRYKL-BMIGLBTASA-N	312.341	1.556	50	20	DDGD	
CC(C)Oc1ccccc1C(=O)NNC(=O)[C@@H]1CCCCO1	295253217	AKKXQLUTUYFECW-AWEZNQCLSA-N	306.362	1.804	50	20	DDGD	
COCCN(C)NC(=O)CCCC(=O)c1cccc(OC)c1	297136330	QKNJJEPLVCWCIP-UHFFFAOYSA-N	308.378	1.658	50	20	DDGD	
Cc1cc(C(F)(F)F)nn1CC(=O)NNc1ccncn1	295533736	RQJIKDBSZAKEFJ-UHFFFAOYSA-N	300.244	1.144	50	20	DDGD	
CSSCCNC(=O)N[C@@H](CC(N)=O)c1ccccc1	297947183	KKLATALAXMBZAQ-NSHDSACASA-N	313.448	1.914	50	20	DDGD	
Cn1cnc2c(C(=O)NNc3cnc4ccccc4n3)ccnc21	807426933	ZHSDZNKKEPQEON-UHFFFAOYSA-N	319.328	1.668	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNc1ccncn1)c1ccc(F)cc1	296356029	JADZIGIISGRXPF-ZDUSSCGKSA-N	318.356	1.545	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)c1cnn(CCF)c1	807011191	ADUPYJKIPWYOKS-UHFFFAOYSA-N	316.292	1.674	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)COC2CCCC2)cc1	802055734	RVAHHOHJPDGPPP-UHFFFAOYSA-N	307.350	1.807	50	20	DDGD	
CC(C)[C@H]1C[C@H](CC(=O)NNC(=O)N=c2cc[nH]cc2)CCO1	802033646	HRQUZHUSJSTVGZ-TZMCWYRMSA-N	320.393	1.498	50	20	DDGD	
Cn1cc(CC(=O)NNC(=O)Nc2cc(F)cc(F)c2)cn1	802004513	GXSTYQBZCUDZHD-UHFFFAOYSA-N	309.276	1.094	50	20	DDGD	
C[C@H](Sc1nncn1C)C(=O)NNC(=O)Nc1ccccc1	801993329	QTCILMXMDNNEOM-VIFPVBQESA-N	320.378	1.149	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNC(=O)C(C)(C)C)ccc1F	806961967	WDHGUQMVFCEQHD-UHFFFAOYSA-N	309.341	1.520	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCCCO2)ccc1[N+](=O)[O-]	295249511	ABFLYQLFFZAVMQ-GFCCVEGCSA-N	307.306	1.233	50	20	DDGD	
COCCOc1cncc(C(=O)NNc2cccnc2Cl)c1	801630541	TVPXPQIEQMMLAU-UHFFFAOYSA-N	322.752	1.912	50	20	DDGD	
Cc1cc(C)c(OCC(=O)NNC(=O)N2CCOCC2)c(C)c1	299404490	WZVVPEAUVHVQNS-UHFFFAOYSA-N	321.377	1.064	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1	296332715	LSMPOESEEIQRKL-ZQDZILKHSA-N	312.373	1.119	50	20	DDGD	
COc1ccccc1OCCC(=O)NNc1ncncc1F	817077110	FTSWDEIRNPEEMX-UHFFFAOYSA-N	306.297	1.537	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CC[C@@H](C(=O)O)[C@@H](C)C1	814854502	KVFLFRTWUVXBTF-JOYOIKCWSA-N	311.382	1.284	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)c1cn(C)c2ccccc12	811636770	NBBXLDMJPGCFTO-LBPRGKRZSA-N	312.373	1.953	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)CCn1cnccc1=O	815971968	UJKUFLFSXMEYCE-UHFFFAOYSA-N	323.356	1.633	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NN=Cc1c[nH]c(C(=O)O)c1	814747485	XOFBSSHACRSDFN-UHFFFAOYSA-N	310.313	1.887	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NN=C1CCN(CCO)CC1	819804472	GBTGIBFQSIMGOM-GFCCVEGCSA-N	323.368	1.153	50	20	DDGD	
Cc1ccccc1NNC(=O)CCc1c(C)nc(O)nc1O	817907016	LTJOLLOVDXSWIR-UHFFFAOYSA-N	302.334	1.581	50	20	DDGD	
O=C(CCCCN1CCCC1)NNC(=O)Cc1cccnc1	729373796	PLNUQQZIXAPFNW-UHFFFAOYSA-N	304.394	1.038	50	20	DDGD	
O=C(CSCc1ccc(F)cc1)NNC(=O)c1ccc[nH]1	726629517	DIKJTAHARFGUMH-UHFFFAOYSA-N	307.350	1.848	50	20	DDGD	
COc1cc(C(=O)NN=Cc2n[nH]cc2C)cc(OC)c1OC	814698593	KLSMYXCANZKNDD-UHFFFAOYSA-N	318.333	1.508	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc2c(s1)CCOC2	728614144	SAZCBXQRRFIJRX-UHFFFAOYSA-N	313.448	1.728	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12	822195984	QDOVADMBLIOECL-GRYCIOLGSA-N	306.337	1.788	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCc2ccsc2C1	827281632	ISGNAJSTGCQORD-ONGXEEELSA-N	309.391	1.272	50	20	DDGD	
CSC1(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CCC1	826648780	JXSHFDXZZWLQGJ-VHSXEESVSA-N	301.412	1.028	50	20	DDGD	
O=C(NNC(=O)c1cc(Br)c[nH]1)c1cscn1	728513712	UEUFITMGLYKLLM-UHFFFAOYSA-N	315.152	1.309	50	20	DDGD	
CCCN(NC(=O)CNC(=O)OCC)C(=O)OC(C)(C)C	495828104	ULCJQGDMRGRSOJ-UHFFFAOYSA-N	303.359	1.411	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1c(C)cc(OC)c(C)c1C	496412947	VKRDNYRKJRKAGF-UHFFFAOYSA-N	323.349	1.336	50	20	DDGD	
Cc1cc(C)c(NC(=O)CNS(=O)(=O)CCl)c(C)c1	820783678	IQWQTOACMYXCNL-UHFFFAOYSA-N	304.799	1.666	50	20	DDGD	
C[C@@H](NNC(=O)c1cc2c(nc1O)CCC[C@@H]2O)C(F)(F)F	824829397	HMXNXJSQYBDVIT-LDWIPMOCSA-N	319.283	1.342	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(-n2nc(C)cc2C)nc1	494659569	PRLGPDMVHLENOJ-UHFFFAOYSA-N	318.337	1.667	50	20	DDGD	
CC(C)(C)OC(=O)NCC1(C(=O)NNc2ccnc(F)c2)CC1	495312512	NTRUJSQSZCZMDM-UHFFFAOYSA-N	324.356	1.969	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccncc2)n(C(C)(C)C)n1	726872565	MXNJKDVMWXPMCI-UHFFFAOYSA-N	316.365	1.808	50	20	DDGD	
CCN(CC)C(=O)c1ccc(C(=O)NN(C)[C@H](C)CO)cc1	823959164	CEUCEIOMKMAGNL-GFCCVEGCSA-N	307.394	1.126	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)OC(C)(C)C)C1CCOCC1	492817784	GDWGXXDKHUZNST-NSHDSACASA-N	301.387	1.931	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(C(=O)OC(C)(C)C)ccn1	824013393	LSVOJRCYBDKXCJ-UHFFFAOYSA-N	310.310	1.429	50	20	DDGD	
O=S(=O)(CBr)N[C@@H](CCO)C1CCCCC1	725043809	SZOYJZQXNRRNEU-JTQLQIEISA-N	314.245	1.590	50	20	DDGD	
O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NCB(O)O	585060912	HLOHWUUWAVDGDQ-UHFFFAOYSA-N	310.571	1.134	50	20	DDGD	
CN(NC(=O)NCC(=O)N1CCc2ccccc21)c1ccccc1	726192208	UDXLUDKYBKSOGC-UHFFFAOYSA-N	324.384	1.926	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccsc1NC(=O)c1ccco1	823959660	NJVSASWGOFQUSR-VIFPVBQESA-N	323.374	1.551	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNC(=S)NCC1CCC1)C(C)C	824327084	ADEULCNLPAINJS-LLVKDONJSA-N	315.439	1.117	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)NOC1CCCC1	826447924	BEWGTUDWJFJUDY-UHFFFAOYSA-N	303.326	1.367	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2C[C@@H](O)[C@H](OC)C2)cc1	490974446	NGZGCGZIRXMAHB-NWDJSDSRSA-N	316.357	1.210	50	20	DDGD	
CCN(CCO)NC(=O)c1ccccc1Oc1cccnc1	823855740	DVOUDCPBIUNYIW-UHFFFAOYSA-N	301.346	1.833	50	20	DDGD	
CCC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CCOC1	736301722	ABBGSWNKOXXGIZ-LBPRGKRZSA-N	314.349	1.399	50	20	DDGD	
CC(C)CC[C@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1	584962077	HQTJCGRRBWSJKB-MRXNPFEDSA-N	303.211	1.797	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNC(=O)c1ccc(C)cc1O)C(C)(C)C	825498529	KAAWROCPVKZNPE-CYBMUJFWSA-N	321.377	1.012	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C1CC1)N(C(=O)OC(C)(C)C)C1CC1	496186720	OCECEQNIYZTFBU-VIFPVBQESA-N	311.382	1.332	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	495913110	UWSRGYDCWFAOLA-UHFFFAOYSA-N	323.252	1.126	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCC1=O	824866083	KFKOQXAOLDESOU-ONGXEEELSA-N	314.349	1.315	50	20	DDGD	
CSCC1(Cc2nc(-c3cccc(B(O)O)c3)no2)CC1	585052875	ZXRLAJXDKCXTFG-UHFFFAOYSA-N	304.180	1.102	50	20	DDGD	
Cc1nn(CCC(=O)O)c(C)c1C=NNC(=O)CC(F)(F)F	738922038	CEZPMOSTQSEZMB-UHFFFAOYSA-N	320.271	1.377	50	20	DDGD	
Cn1nncc1/C=C(\C#N)C(=O)NCc1ccc(F)c(F)c1	490701735	XUQFPFGLXGDSMD-BJMVGYQFSA-N	303.272	1.317	50	20	DDGD	
O=C(O)[C@H]1CCC[C@@H](C(=O)NN=c2cc[nH]c3ccccc23)C1	833183753	JFJJAMOHZOZRBG-NEPJUHHUSA-N	313.357	1.991	50	20	DDGD	
COC(=O)[C@@H]1C[C@H](O)CN(/C(=C/C#N)c2ccc(F)cc2)C1	830872017	QYIKVRQCWWFIGU-XZULTAKHSA-N	304.321	1.546	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1cccc(C(C)=O)c1	901965377	FGHGTFAZIKLIFC-UHFFFAOYSA-N	308.359	1.002	50	20	DDGD	
Cn1c(=NNC(=O)C[C@H]2CCC(=O)NC2)sc2ccccc21	836291918	YDMDEUIKVVHEGC-SNVBAGLBSA-N	318.402	1.088	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ccc(C(C)C)cc2)nn1C	835972131	FFGZFVFKZVKQHF-UHFFFAOYSA-N	315.377	1.934	50	20	DDGD	
OB(O)c1cccc(-c2noc(-c3ccnn3C3CCCC3)n2)c1	585053003	DQWCICXUOCIOQN-UHFFFAOYSA-N	324.149	1.395	50	20	DDGD	
C[C@@H](c1ccc(C(=O)NNC(=O)C(C)(C)O)cc1)C(F)(F)F	836783358	GPXVMACSRIFSSP-QMMMGPOBSA-N	318.295	1.884	50	20	DDGD	
C=C(CBr)COC(=O)CS(=O)(=O)CCCC	909946916	BAJWGIDNQSRQPF-UHFFFAOYSA-N	313.213	1.696	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2cnn3ccccc23)c1	731861666	JFHCQKMAYMSDDD-UHFFFAOYSA-N	324.340	1.483	50	20	DDGD	
O=S(=O)(c1ccc2ccccc2c1F)N1CC[C@H](B(O)O)C1	585055579	BBWLXVCTXWRGOD-NSHDSACASA-N	323.154	1.216	50	20	DDGD	
OB(O)[C@@H]1CCN(Cc2c[nH]nc2-c2c(F)cccc2F)C1	585076975	RLYYZJXRWUZLHY-SNVBAGLBSA-N	307.109	1.404	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)NC(=O)NNc1cc(Cl)ccn1	836632024	IBIFEQSMPFVZOO-VIFPVBQESA-N	308.773	1.726	50	20	DDGD	
CCOc1cc(C=NNC(C)=O)ccc1O[C@@H](C)C(=O)N(C)C	916267322	MBDNCBDPSAMTRG-NSHDSACASA-N	321.377	1.411	50	20	DDGD	
COc1ccc([C@H](NCc2cccc(B(O)O)c2)C2CC2)cc1	585015014	LZCFYPKOFUHSIC-GOSISDBHSA-N	311.190	1.616	50	20	DDGD	
CCN(CC)Cc1cccc(NCc2ccccc2B(O)O)c1	585012331	UJVIQIYWDOHXQM-UHFFFAOYSA-N	312.222	1.820	50	20	DDGD	
C[C@]1(C(=O)N2CCN3CC(F)(F)C[C@H]3C2)C[C@@H]1Br	911431031	ZRAHWDRYCJOUND-QXEWZRGKSA-N	323.181	1.712	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2C[C@@H](C)O[C@H]2C)cc1C	834932955	AAAXBUSLNMUHIB-NEPJUHHUSA-N	303.362	1.911	50	20	DDGD	
CC[C@H](C)C(=O)NN=C(C)c1ccc(S(=O)(=O)NC)cc1	915973713	DMUPLFPOXVDETE-JTQLQIEISA-N	311.407	1.481	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H](C)c2nc(C)cs2)n1	834814712	DFLRMYKDQHTNTK-JTQLQIEISA-N	304.375	1.720	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cccn2cc(C(F)(F)F)nc12	910138950	NNCCDSXYMRARAH-QMMMGPOBSA-N	316.283	1.311	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC[C@H](c2ccccc2)C1	830018111	FFGAWQQJLIEJBK-HNNXBMFYSA-N	303.406	1.669	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2c[nH]nc2C)c1C	743297827	XKIIBTSQCKJJRI-UHFFFAOYSA-N	303.391	1.966	50	20	DDGD	
C=CCN1C(=O)C(=NNC(=O)Cc2ccncc2)c2ccccc21	747641208	ZWZUCBOSYZLKAA-UHFFFAOYSA-N	320.352	1.677	50	20	DDGD	
CC(=O)Nc1ccc(NC(=S)NNC(=O)c2ccc[nH]2)cc1	915121010	LFXSEDCFHBMLFN-UHFFFAOYSA-N	317.374	1.605	50	20	DDGD	
CN1CCC(=NNC(=O)CSc2ccccc2[N+](=O)[O-])C1=O	842568368	NTDZYAFIHNXSKI-UHFFFAOYSA-N	322.346	1.021	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1cccc(OCC(=O)O)c1	842558644	YFHFBFXDTRMLEX-ZWNOBZJWSA-N	306.318	1.025	50	20	DDGD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NNC(=O)C(C)C	840489648	SPKKSOIGFIMKSN-ZDUSSCGKSA-N	320.437	1.978	50	20	DDGD	
O=C(Cc1ccc(F)cc1[N+](=O)[O-])NNC(=O)CC(F)(F)F	846633340	ZTISZSNVZYNJKA-UHFFFAOYSA-N	323.202	1.376	50	20	DDGD	
CSc1ccc(C)c(C(=O)NNC(=O)N2CCOCC2)c1	745988208	VPGITJPJFNCZQK-UHFFFAOYSA-N	309.391	1.404	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@H]1CCc2ncncc2C1	843832618	UULVBGIIHICOBT-JTQLQIEISA-N	313.317	1.633	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@H]2CCO[C@H](C)C2)cc1	845086912	QDKGQUVXKUWRLQ-RISCZKNCSA-N	321.377	1.596	50	20	DDGD	
CCn1c(O)nc2ccc(C(=O)NNC(=O)C3CCCC3)cc21	847335603	ADCNOCAXKOIMKZ-UHFFFAOYSA-N	316.361	1.713	50	20	DDGD	
O=C(NC[C@H]1CNCCCO1)NNc1c(F)cccc1Cl	842009602	CSNRFYLUPZNHSZ-SECBINFHSA-N	316.764	1.484	50	20	DDGD	
CCCCCCC(=O)OCC(=O)NNC(=O)c1ccccc1	919228737	MXVVFIWKIUGPHG-UHFFFAOYSA-N	306.362	1.961	50	20	DDGD	
O=C(NNC(=S)NCC1CC1)c1cc(-c2cccs2)[nH]n1	849259514	GQTNDHDDSGJEBN-UHFFFAOYSA-N	321.431	1.657	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CCc2ccncn2)cc1	846375980	OZJLDQSKPVFLLR-UHFFFAOYSA-N	314.345	1.268	50	20	DDGD	
O=C(NNc1cccc(F)c1)c1ccc(-c2nc(=O)o[nH]2)cc1	749267556	ITGFARARSMTQQT-UHFFFAOYSA-N	314.276	1.926	50	20	DDGD	
Cc1ccc2c(C=NNC(=O)[C@@H]3CCS(=O)(=O)C3)c[nH]c2c1	917545561	WGTASUPNWPMHOA-LLVKDONJSA-N	319.386	1.361	50	20	DDGD	
Cc1cc(NNC(=O)NCCCS(C)(=O)=O)ccc1Cl	918158695	FFQWPRYCUBXHCO-UHFFFAOYSA-N	319.814	1.709	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2ccc(-n3ccnc3)nn2)c1	748044603	VNRUSXSJTVZYNA-UHFFFAOYSA-N	305.301	1.291	50	20	DDGD	
CO[C@@H](C=NNC(=O)Cc1c[nH]c2ccccc12)[C@@H]1CCOC1	841612695	MWDVIINXFWCKHL-WBMJQRKESA-N	315.373	1.864	50	20	DDGD	
Cc1cc(C(=O)NNc2cccc(C#N)c2)n2nc(C)cc2n1	748044726	XMKNEMSIVQJTJR-UHFFFAOYSA-N	306.329	1.975	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NC[C@@H]1C[C@H](C)O[C@H]1C	840434694	SDDVOUZFCYPECP-YDHLFZDLSA-N	319.405	1.681	50	20	DDGD	
CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1	920382561	ZGEPMWKSWKODQR-GFCCVEGCSA-N	313.354	1.036	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cc3c(s2)CCC3)sn1	856760468	SOTDTIQLHLOMOV-UHFFFAOYSA-N	323.399	1.777	50	20	DDGD	
CC(C)Cn1cccc(C(=O)NNC(=S)NC(C)(C)C)c1=O	929428413	FYIUPMDDYJBDOC-UHFFFAOYSA-N	324.450	1.412	50	20	DDGD	
CCN1CCN(CCC(=O)NNc2ccc(C)c(F)c2)CC1	856229545	NNAOMNADLHTKQU-UHFFFAOYSA-N	308.401	1.605	50	20	DDGD	
C[C@@H]1OC(=O)N[C@@H]1C(=O)OC[C@@H](CBr)C1CC1	859666486	NSSIOKUDRRXSQV-ZQARSLAVSA-N	306.156	1.448	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@@H]1[C@@H](C)[C@H](OC)C1(CC)CC	759604974	NLKBOCDZXJBTTJ-WVWOOGAGSA-N	313.442	1.362	50	20	DDGD	
Cc1cccc(C)c1C=NNC(=O)[C@@H](C)CN1CCOCC1	755586066	YOBXBRLSJOQWOU-HNNXBMFYSA-N	303.406	1.722	50	20	DDGD	
Cc1c[nH]ccc1=NC(=O)NNC(=O)COc1ccccc1F	757808193	RPNMSKJKKCNNBW-UHFFFAOYSA-N	318.308	1.183	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2C(=O)Nc3c(F)cccc32)n1	753956448	SVJOCNVINBCPMT-UHFFFAOYSA-N	315.308	1.112	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccn(C)c1-c1ccccc1	857107979	DAAZZMPLYPRSOU-UHFFFAOYSA-N	300.362	1.015	50	20	DDGD	
C[C@@H]1C[C@H](CO)CN(C(=O)NC[C@@]2(C)C[C@H]2Br)C1	856957558	AJZFZXFPVRNDAW-LSCVPOLPSA-N	319.243	1.820	50	20	DDGD	
O=C(NNc1cccc(F)n1)NC1CCN([C@H]2CCOC2)CC1	852639369	VGLJVZZUJZFVRJ-LBPRGKRZSA-N	323.372	1.100	50	20	DDGD	
C[C@H](Cn1cccn1)NC(=O)NC[C@]1(C)C[C@@H]1Br	856824815	PAJKSQZRRYFFNR-SCVCMEIPSA-N	315.215	1.744	50	20	DDGD	
CO[C@@H](C=NNC(=O)Cn1c(C)nc2ccccc21)C1CC1	853269141	PYQMOWJSENLSNM-HNNXBMFYSA-N	300.362	1.872	50	20	DDGD	
Cn1cc(Cl)c(C(=O)NNC(=O)c2cc3c(s2)CCC3)n1	858138148	QBAXIVVBYWERCN-UHFFFAOYSA-N	324.793	1.699	50	20	DDGD	
C[C@]1(CNC(=O)N2C[C@H]3CC[C@H]2[C@@H](N)C3)C[C@H]1Br	857105546	NFZRLLPAOZLALG-HKLXJQGRSA-N	316.243	1.681	50	20	DDGD	
Cc1nn2cccnc2c1C(=O)NC[C@]1(C)C[C@@H]1Br	857399835	GLWASZOIBJBXNV-ZANVPECISA-N	323.194	1.941	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)Cn1cc(C2CC2)cn1	854237786	FDGRUUMNMZVETA-UHFFFAOYSA-N	316.336	1.290	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCCN1CCO[C@H](C)C1	853607410	YYZMAFXPRDVYEU-GFCCVEGCSA-N	310.373	1.481	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H]1CCCN(C(C)=O)C1	751167941	BGTQJPXMWNMXJI-NSHDSACASA-N	322.317	1.767	50	20	DDGD	
C[C@]1(CNC(=O)C[C@@H]2CSCCN2)C[C@H]1Br	857007436	LMDUMKMDMDCCGX-FXPVBKGRSA-N	307.257	1.371	50	20	DDGD	
CC(C)OC(=O)CCNC(=O)NC[C@]1(C)C[C@@H]1Br	856818830	UOTZVNOWBIOJSC-CABZTGNLSA-N	321.215	1.801	50	20	DDGD	
CSc1ccccc1NC(=O)NNC(=O)c1cnccn1	755388460	FRBICKLRPNWHBR-UHFFFAOYSA-N	303.347	1.665	50	20	DDGD	
O=C1CCCCC[C@@H](C(=O)NNC(=S)NCC2CCC2)C1	855090472	XAPJJLGORARAFE-GFCCVEGCSA-N	311.451	1.821	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1cc(F)cc(Cl)c1	755409490	IEEKZPRFGQJXML-UHFFFAOYSA-N	309.750	1.382	50	20	DDGD	
NCCCCCC(=O)NNC(=O)Nc1ccc(F)c(F)c1	857766601	PXOCSTGTLQUDMA-UHFFFAOYSA-N	300.309	1.637	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)cc1F	853972285	WVEIXOJZUGRYSF-NSHDSACASA-N	320.368	1.771	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCCCN1CCCC1=O	754547420	SRKCJVCCFJOUBK-SDNWHVSQSA-N	314.341	1.855	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CC23CCC3)c1	759715514	XFARAMCNKLFCKH-GFCCVEGCSA-N	322.386	1.041	50	20	DDGD	
CC(C)(C=NNC(=O)c1cn[nH]c1)CNC(=O)OC(C)(C)C	863153912	HLMFEIWQEJOTFF-UHFFFAOYSA-N	309.370	1.676	50	20	DDGD	
CCNC(=O)NNC(=O)c1cn(CCCC#N)c2ccccc12	767720715	ABGFYNDNWCIWSX-UHFFFAOYSA-N	313.361	1.909	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=Cc1ccccc1C(F)(F)F	863189733	FCDLRLMEZRLWKS-UHFFFAOYSA-N	308.281	1.200	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc2occc2c1	861803757	CXAFABUGHGKPBZ-VIFPVBQESA-N	303.318	1.565	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2C[C@]23CCOC3)cc1C	763732426	FLPSXYCWLADTDK-PBHICJAKSA-N	318.373	1.256	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N1CCOCC1)C1CCC(C)CC1	763758101	NKJFLJHKJUZXDI-RUXDESIVSA-N	311.426	1.912	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)COc1ccccc1OC	864460079	SSKWQIZBRVPJGK-UHFFFAOYSA-N	310.350	1.037	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2c(F)c(F)cc(F)c2F)n[nH]1	768276762	ORPMHDIYTXHRLR-UHFFFAOYSA-N	316.214	1.349	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccn(C)c1	763142497	QYBJHVMNLRBFSV-JTQLQIEISA-N	305.309	1.393	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1oc2ccc(F)cc2c1C	869911814	MKYAWMHUXJODFY-UHFFFAOYSA-N	324.308	1.304	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)c2ccncc2)cc1C	769027509	JBMVVGLOJPUNQS-UHFFFAOYSA-N	315.329	1.239	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)c(C)c1	760203388	LHYOVQOOOHGAEB-CHWSQXEVSA-N	320.393	1.271	50	20	DDGD	
N#CC1=CCN(C(=O)COc2ccc(Br)cn2)CC1	867107928	FNRXWUBHKRMGJG-UHFFFAOYSA-N	322.162	1.905	50	20	DDGD	
CC[C@H]1CO[C@H](C)CN1CC(=O)NNC(=O)c1cccs1	762543448	GXWQKGXSEDAJED-MNOVXSKESA-N	311.407	1.008	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCOc2cccc(F)c2)n[nH]1	765586174	NNOCLADQJMTZSE-UHFFFAOYSA-N	306.297	1.087	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C)c(F)c1F	869681698	MXDVZYUKONQFST-QMMMGPOBSA-N	314.288	1.376	50	20	DDGD	
CC[C@@H](OC1CCCCC1)C(=O)NNC(=O)N1CCOCC1	760474633	OFERUYQGXZSUED-CYBMUJFWSA-N	313.398	1.187	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)CSC2CC2)cc1	874953847	LMDJGJLDQNQHPY-UHFFFAOYSA-N	324.475	1.966	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNc1nc(C(F)(F)F)cs1	879126140	ACSPBMZFMZWBQE-ZCFIWIBFSA-N	310.301	1.520	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(c2ccc(C#N)cc2)CC1	870096795	VSSFGBZTFVRKLS-SQFISAMPSA-N	310.357	1.651	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2c3c[nH]nc3CC[C@@H]2C)nc1	879657995	VYRPVWNFMKUATR-LKFCYVNXSA-N	301.350	1.623	50	20	DDGD	
O=C(NCCCn1cncn1)NNc1cccc(F)c1Cl	875051459	ARCYNFIAZBGMJX-UHFFFAOYSA-N	312.736	1.787	50	20	DDGD	
COC(OC)C(=O)NNC(=S)Nc1cccc(Cl)c1	873786417	RKJHMLGSXGXCHS-UHFFFAOYSA-N	303.771	1.277	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cc(F)c(OC)cc1OC	878904293	KGLXPVXHFOZJGU-UHFFFAOYSA-N	301.274	1.578	50	20	DDGD	
COc1cccc([C@H](CNC(=O)NNc2ncccn2)OC)c1	875768881	VARXDUHLPQHWPO-ZDUSSCGKSA-N	317.349	1.499	50	20	DDGD	
CCCCn1cc(CNC(=O)NNC(=O)c2ccc[nH]2)c(C)n1	774300822	FAYAYDFAXUDPPK-UHFFFAOYSA-N	318.381	1.464	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1cc2c(s1)SCC(=O)N2	778541522	HXNYZJJZXFEWGF-UHFFFAOYSA-N	312.420	1.194	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CCO[C@H](C)C2)c([N+](=O)[O-])c1	776346160	FGKADTFAWGJWAS-NXEZZACHSA-N	309.322	1.862	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)/C=C/c1ccc(Cl)cc1	771890643	KUQORXHAECHYJJ-ZKXNXJMVSA-N	324.764	1.842	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ccc2c(c1)OCO2	777773152	UIYBDHZYCSXCAB-UHFFFAOYSA-N	314.297	1.959	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1cnc([C@H](C)O)s1	773023807	GQYCTUPYDPQZBV-RYUDHWBXSA-N	324.450	1.769	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)N[C@@H](C(C)(C)C)C(F)(F)F	775980164	FOQRYSOHLIJTDO-JTQLQIEISA-N	320.315	1.946	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1	774345763	SZUUPQOXKXPQCE-VAWYXSNFSA-N	308.382	1.083	50	20	DDGD	
Cc1cc(C)c(C(=O)NNc2nc(O)c3cnn(C)c3n2)o1	770990280	MZSMBYMMGGHWHD-UHFFFAOYSA-N	302.294	1.036	50	20	DDGD	
O=C(NNc1cnccn1)C(F)(F)c1ccc([N+](=O)[O-])cc1	778506796	SICXCVXLDYHNLJ-UHFFFAOYSA-N	309.232	1.620	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)c1cc(Br)c[nH]1)C(C)C	771094918	NLFYBNBNNYRSCW-VIFPVBQESA-N	318.171	1.209	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C#N)cc1	771881672	OJMGSHGPTUBMKX-NSHDSACASA-N	317.345	1.297	50	20	DDGD	
C#CCCCCC(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	773631014	RBXQRODKDNDYCJ-UHFFFAOYSA-N	316.357	1.493	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NC[C@@H](C)C#N	770800421	ZEUXLCRTZKUWSQ-UWVGGRQHSA-N	324.768	1.597	50	20	DDGD	
COCC1(S(=O)(=O)NNC(=O)c2cccc(Cl)c2)CC1	882662952	PEBRZDDRNMSPIP-UHFFFAOYSA-N	318.782	1.083	50	20	DDGD	
C[C@H]1C(=O)CC[C@H](C(=O)NNC(=O)C2CCOCC2)C1(C)C	883068682	FAKDDIAPMVAMCH-CMPLNLGQSA-N	310.394	1.202	50	20	DDGD	
CO[C@@]1(C(=O)NNC(=O)CCCc2ccccc2)CCSC1	888772806	ULZQJBYLDJSZAY-INIZCTEOSA-N	322.430	1.679	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](NC2CCOCC2)C(C)C)nc1	782047022	WEQPPAWGEBOYQY-HNNXBMFYSA-N	322.409	1.327	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@H](C)n2ccnc2)cc1O	882052181	YKWJXOONWSUAKK-NSHDSACASA-N	302.334	1.309	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cc(F)c(Cl)cc1F	883067482	KBEDGHIHMAQJAC-UHFFFAOYSA-N	318.707	1.806	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@]1(C(=O)OC(C)(C)C)CC1(C)C	887152181	ZVWMBQIOSOBQHN-KRWDZBQOSA-N	322.405	1.695	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCCCl)C(=O)NCc1ccccc1	881807710	AIPCZNJEKNFVCX-LLVKDONJSA-N	318.826	1.240	50	20	DDGD	
CSc1ccccc1S(=O)(=O)NNC(=O)C1CCCC1	780376744	MCXWPOCHTHDVQJ-UHFFFAOYSA-N	314.432	1.908	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@@H]2CCCN2C2CC2)c1	787485611	OXCCVHZRPTWCFA-NSHDSACASA-N	305.769	1.677	50	20	DDGD	
CCCn1cc(C(=O)NNc2nc(-c3cccnc3)no2)cn1	781971541	WCXVZUGWEHPBKM-UHFFFAOYSA-N	313.321	1.495	50	20	DDGD	
Cc1cc(C(=O)NNc2ncccn2)nn1-c1cccc(C#N)c1	780349186	FJTXKYHQGKWFPP-UHFFFAOYSA-N	319.328	1.599	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1ccc2nc(O)oc2c1	781826743	ZVDHTYDSJNSKFU-UHFFFAOYSA-N	305.681	1.734	50	20	DDGD	
Cc1cc(CC(=O)NN=CC[C@@H]2CCCCC23OCCO3)n[nH]1	788709134	GXRUNVJHKOZHMU-ZDUSSCGKSA-N	320.393	1.686	50	20	DDGD	
CN(C)c1cccnc1C(=O)NNC(=O)NC1CCCCC1	899940874	ZDWMVVPIRBDYJD-UHFFFAOYSA-N	305.382	1.424	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCN2CCC(C)(C)C2)o1	898594879	UURCYGPCRXJGSE-UHFFFAOYSA-N	308.382	1.264	50	20	DDGD	
COC(=O)c1ccc(/C=C(\C#N)C(=O)C2CCOCC2)nc1	899372033	MODMYFUBCSYJKA-MDWZMJQESA-N	300.314	1.771	50	20	DDGD	
CNC(=O)c1n[nH]c(C2CCN(C[C@@H]3[C@@H](C)[C@H]3Cl)CC2)n1	895041643	KUOBMZREMQVCRZ-FBIMIBRVSA-N	311.817	1.217	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H]1C[C@H]1c1cc(OC)ccc1OC	788088914	RJXQYBFDRYGSAL-AAEUAGOBSA-N	321.377	1.548	50	20	DDGD	
CCn1nccc1NC(=O)C(=O)NNc1ccc(F)cc1C	783444452	FCCRRFPQALGZPP-UHFFFAOYSA-N	305.313	1.432	50	20	DDGD	
CC(C)C1(C(=O)NNc2ccc(Br)nc2)COC1	894764153	CZNXEQQKDCOUID-UHFFFAOYSA-N	314.183	1.960	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2ccc(N3CCOCC3)cc2)n1	794564745	ABDVRRCBSFLARJ-UHFFFAOYSA-N	324.384	1.991	50	20	DDGD	
CCOC(=O)N(C)CCCC(=O)NNC(=S)NC(C)(C)C	899992572	FUEDEAZGYUSNOG-UHFFFAOYSA-N	318.443	1.149	50	20	DDGD	
C#CCN1CCC[C@@H](NC(=O)NNc2cc(F)ccc2C)C1	890362236	AQELYRBXHWRKHM-CQSZACIVSA-N	304.369	1.858	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2[nH]ccc2C)cc1	798106805	PDIIQXMLRUCKQP-UHFFFAOYSA-N	302.334	1.205	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@H]2CCN2C(C)(C)C)cc1	898272845	KFANWWBMNZZPKP-CQSZACIVSA-N	319.405	1.718	50	20	DDGD	
CCCNC(=O)/C(C#N)=C\c1ccccc1OCC(=O)OC	899343303	SAXBDOACESHOHS-LCYFTJDESA-N	302.330	1.672	50	20	DDGD	
C=C[C@@H](NNC(=O)c1cc2c(s1)CC[C@@H](C)C2)C(=O)OC	799976838	XCKOORNNHXCLOT-MWLCHTKSSA-N	308.403	1.835	50	20	DDGD	
COCc1cccc(CC(=O)NNC(=O)c2cccc(C)n2)c1	794083668	KRPLPPVSUCRWHE-UHFFFAOYSA-N	313.357	1.540	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1ccnc(F)c1	794877675	AHYZQRCOGMXQOZ-LLVKDONJSA-N	308.357	1.029	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)c1nnc(O)nc1O	794953669	JQLLWMDSAMAZDC-UHFFFAOYSA-N	303.322	1.472	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)c1c(C)nc2ccccn12	794622525	ZWCMPXCDPAVFLO-UHFFFAOYSA-N	311.345	1.608	50	20	DDGD	
CCc1c(C(=O)NNC(=O)NC)cnn1-c1ccccc1Cl	790489346	BCZCXSSHYPWXLD-UHFFFAOYSA-N	321.768	1.662	50	20	DDGD	
CSSCCNC(=O)NCC(=O)Nc1cccnc1	790882475	OKPHEDAMWHDDBI-UHFFFAOYSA-N	300.409	1.331	50	20	DDGD	
CC(C)Cc1ccccc1C(=O)NNc1ccc(C(N)=O)nn1	792378810	XIBSGMLXAMNUKN-UHFFFAOYSA-N	313.361	1.531	50	20	DDGD	
CCC(C)(C)c1ccc(NC(=O)C(=O)NNC(=O)COC)cc1	790952882	SJMWEWGPPMRUFH-UHFFFAOYSA-N	321.377	1.107	50	20	DDGD	
C[C@H](Oc1cccc(C=NNC(=O)[C@@H]2CCOC2)c1)C(=O)O	792654886	ICACFDFBZBUZFY-CMPLNLGQSA-N	306.318	1.025	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)CC1CC(c2ccccc2)C1	798846071	SGHZTQRIAVVQPK-UHFFFAOYSA-N	317.389	1.242	50	20	DDGD	
Cn1cc2c(n1)CCCC2=NNC(=O)COc1ccccc1F	794472840	TWVRTJIGLWLKQS-UHFFFAOYSA-N	316.336	1.795	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNc1cncc(Br)c1	1319528334	FVUCZLCBSWCGKF-SSDOTTSWSA-N	316.155	1.486	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccc(C(C)(C)C)nn1)N1CCCC1=O	1323271178	ZMWQSYPFKSHLER-NSHDSACASA-N	319.409	1.618	50	20	DDGD	
CC(=NNC(=O)C[N+](C)(C)C)c1cccc(OC(F)F)c1	1248411448	YYNQUUMQZBRRDW-UHFFFAOYSA-O	300.329	1.834	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)ccn1C	1326047173	ANAHNEGOOSQRMA-UHFFFAOYSA-N	315.377	1.264	50	20	DDGD	
COc1cc(C(=O)NNc2ccc(C(C)(C)C)nn2)nn1C	1324161453	JLJPFOAQPCNHOT-UHFFFAOYSA-N	304.354	1.273	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(-c2cnn(C)c2)cc1	1321066985	GDCMACJLWPFTJP-UHFFFAOYSA-N	315.377	1.757	50	20	DDGD	
Cc1cc(C(=O)NNc2oc(C(C)C)nc2C#N)cc(O)n1	1324966118	CEGUOWWWOTXXBJ-UHFFFAOYSA-N	301.306	1.836	50	20	DDGD	
CCCNC(=O)NNC(=O)c1c(C)[nH]c2ccc(OC)cc12	1253392077	AXYUEHSTSTWZCN-UHFFFAOYSA-N	304.350	1.839	50	20	DDGD	
COCc1nocc1C(=O)NNc1cc(C(F)(F)F)ccn1	1334795748	RDTOGGSILOKTAR-UHFFFAOYSA-N	316.239	1.992	50	20	DDGD	
Cn1c(S)nnc1CCNC(=O)c1cccc(CCl)c1	1338835642	AIACPKBINHRNJU-UHFFFAOYSA-N	310.810	1.815	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC1CCN(c2ccncc2)CC1	1339909653	REYSHHGWXAEXMM-UHFFFAOYSA-N	319.409	1.427	50	20	DDGD	
CC(=O)c1csc(C(=O)NNc2nncc(N)c2Cl)c1	1253161884	ABXCHWBJCKPFPM-UHFFFAOYSA-N	311.754	1.733	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCCCC(F)F	1332377740	XGTLAHZHSKKPRD-UHFFFAOYSA-N	315.320	1.613	50	20	DDGD	
Cc1nnsc1C(=O)NNc1cccc(S(C)(=O)=O)c1	1343448883	QLDAPDCVLHOUIZ-UHFFFAOYSA-N	312.376	1.007	50	20	DDGD	
CN(C)[C@@H]1CCCC[C@@H]1NC(=O)NNc1ncc(Cl)cn1	1347929650	YHQCURQPCLNLSA-WDEREUQCSA-N	312.805	1.629	50	20	DDGD	
C[C@@]1(NC(=O)NNc2ccc(Cl)cc2F)CCOC1=O	1346946110	PXSAFSFMQBLOMI-GFCCVEGCSA-N	301.705	1.811	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@]2(F)CCOC2)c2ccccc2n1	1347497755	RAODFMKRSLLGEZ-MRXNPFEDSA-N	317.320	1.433	50	20	DDGD	
CCS(=O)(=O)Nc1ccc(NC(=O)CCl)cc1OC	1341510042	YSNGNHDMQKNGKI-UHFFFAOYSA-N	306.771	1.634	50	20	DDGD	
O=C(NNC(=O)c1oc(C2CC2)nc1C(F)F)c1ccccn1	1348415352	HLMBZUMPSWQRMD-UHFFFAOYSA-N	322.271	1.959	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)[C@H]3C[C@H]3F)n[nH]2)cc1C	1519840346	FABRNYJTQJWYGW-NWDGAFQWSA-N	316.336	1.813	50	20	DDGD	
O=C(O)c1cnc([C@@H]2CCN(S(=O)(=O)CCl)C2)s1	1602515731	CWATTYFOZJXSGA-ZCFIWIBFSA-N	310.784	1.157	50	20	DDGD	
COc1cccc(NNC(=O)Nc2cn(C)nc2C(F)F)n1	1526971312	LUZJMBIGJVEOON-UHFFFAOYSA-N	312.280	1.910	50	20	DDGD	
O=C(/C=C/c1ccc(C(=O)O)o1)NN=c1cc[nH]c2cccnc12	1601235909	IAEIDHXGRZXGBS-GQCTYLIASA-N	324.296	1.499	50	20	DDGD	
Cc1c(NNC(=O)c2noc3c2COCC3)cccc1C(=O)O	1607551928	AHIMXYIZPUIDRT-UHFFFAOYSA-N	317.301	1.511	50	20	DDGD	
C[C@@H]1CCN(CCNC(=O)NNc2ccc(CC(=O)O)cc2)C1	1604752504	WFNLTJGNERMRDX-GFCCVEGCSA-N	320.393	1.282	50	20	DDGD	
O=C(Cc1cccc([N+](=O)[O-])c1)NNc1cccc(C(=O)O)c1	1608367406	OCTAVXASTOUOLL-UHFFFAOYSA-N	315.285	1.979	50	20	DDGD	
Cn1c(NNC(=O)[C@@](C)(C#N)CC(=O)O)nc2ccccc21	1605473088	CHAWJYMEWOYMRO-CQSZACIVSA-N	301.306	1.021	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1ccc(C(=O)O)c(F)c1	1601555591	JQWYMXDZKRQNIT-UHFFFAOYSA-N	317.276	1.990	50	20	DDGD	
CCCn1cc(C(=O)NNc2ccc(C(=O)O)cc2OC)cn1	1609988200	YYYZRHBTYNYVJS-UHFFFAOYSA-N	318.333	1.757	50	20	DDGD	
Cc1ccc(C(=O)O)cc1NC(=O)NNC(=O)[C@H]1CCCS1	1607743006	BROFKDRUQWRNAS-LLVKDONJSA-N	323.374	1.742	50	20	DDGD	
COc1ccc(NNC(=O)C23CC(C(=O)O)(C2)C3)c([N+](=O)[O-])c1	1607277292	IYYCKMGXIQFSHC-UHFFFAOYSA-N	321.289	1.301	50	20	DDGD	
Cc1ncc2n1C[C@H](C(=O)NNc1cccc(C(=O)O)c1)CC2	1607988047	XZJUPXFJJHCNHY-GFCCVEGCSA-N	314.345	1.595	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)C(F)(F)C2(O)CCCC2)c1	1608935964	QVSMNDSBTOIGEU-UHFFFAOYSA-N	314.288	1.768	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccoc1CC(=O)O	1607710022	WCHVPUGXYBUPHA-UHFFFAOYSA-N	319.273	1.880	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)CN3C2)cc1	1548616090	UHLZIVHOPVKPRT-FVQBIDKESA-N	315.417	1.876	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C[C@H]1CCCO[C@H]1c1nccn1C	1552448595	CVTUMOYLUAPXRR-DGCLKSJQSA-N	316.365	1.335	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@H]1NCC1(C)C	1574049604	ZOEVANCIXYRWQQ-LLVKDONJSA-N	308.407	1.011	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCNC1)C1CCc2ccccc2CC1	1580732515	FEZAJCZOVMJTAU-MRXNPFEDSA-N	315.417	1.329	50	20	DDGD	
CC(C)[C@@H](C(=O)O)C(=O)NNC(=O)CCCc1ccccc1	1588807843	HSVVKSRNVYBOPN-CQSZACIVSA-N	306.362	1.514	50	20	DDGD	
C/C(=C/C(=O)NNc1ccc(CC(=O)O)cc1)c1cnccn1	1588942968	UQIBQXDXKKCYRX-FLIBITNWSA-N	312.329	1.650	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)CN)C1	1842866636	IXADOPKOPJARKJ-RYUDHWBXSA-N	315.845	1.192	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)OCc2cccc(C(=O)O)c2)cn1	1594537292	HWYNYXKLVNWMRW-NSIKDUERSA-N	311.297	1.769	50	20	DDGD	
CCN1CCC(NC(=O)NNc2cccc(C(=O)O)c2F)CC1	1596410440	MFNKBJGEFBLNLB-UHFFFAOYSA-N	324.356	1.634	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)O)CCC1)Nc1ccc(Cl)cc1	1594778930	DMKUOSSUGPMZGC-UHFFFAOYSA-N	311.725	1.748	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1ccc(C(=O)O)c(OC)c1	1596862125	GIUJPYZUZCGAOD-PKNBQFBNSA-N	304.302	1.454	50	20	DDGD	
COC(=O)CCCCNC(=O)NNc1ccc(CC(=O)O)cc1	1598851515	WEURBWODFOKTJO-UHFFFAOYSA-N	323.349	1.283	50	20	DDGD	
C[C@H](CC=NNC(=O)c1cc(Br)c[nH]1)C(=O)O	1592470260	GIVRSMVPCOVJHV-ZCFIWIBFSA-N	302.128	1.604	50	20	DDGD	
C[C@]1(CNC(=O)CCSCC(=O)O)C[C@@H]1Br	1594015679	OECIYYUVVAPXDJ-OIBJUYFYSA-N	310.213	1.484	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=C[C@@H]2C[C@@]23CCCOC3)c1	1776096889	WHKJTRVPEGWXSM-XJKSGUPXSA-N	302.330	1.917	50	20	DDGD	
CCN(CC)S(=O)(=O)c1ccc(CNC=C(C#N)C#N)cc1	15241985	NYHAVKXLXVBBHV-UHFFFAOYSA-N	318.402	1.738	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Cn1cnc2sccc2c1=O	17398410	SSEXGFRSAYGAET-UHFFFAOYSA-N	324.362	1.014	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H]2CCCCO2)c1	161341305	CLMOLYUIZFPVCA-CYBMUJFWSA-N	306.362	1.399	50	20	DDGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)[C@]1(O)CCSC1	158939881	OZFANINOASQDQE-NSHDSACASA-N	322.308	1.896	50	20	DDGD	
C/C=C(\C=C\C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)CC	151864208	CQQWDHVHWFUPFO-WVXQKLPUSA-N	316.357	1.886	50	20	DDGD	
O=C(CNS(=O)(=O)c1cccs1)NNc1ccccc1	151231176	SKWOPXNBSRJXJW-UHFFFAOYSA-N	311.388	1.170	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(C)c2[N+](=O)[O-])[nH]n1	153083316	XUGGVNKKQXAVPN-UHFFFAOYSA-N	303.278	1.010	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)c(F)c2)[nH]n1	153287816	UUMCHNZMYRYRNT-QMMMGPOBSA-N	324.287	1.225	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ncc(Br)cn1	929187408	SVVRNVWQAXKONX-UHFFFAOYSA-N	317.143	1.409	50	20	DDGD	
CC(C)(C)CCCCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	105253260	ICAIAFMDOKUEBI-AWEZNQCLSA-N	319.471	1.584	50	20	DDGD	
Cc1ccccc1CCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	103361242	OLZYXEMBSHEGNC-HNNXBMFYSA-N	324.446	1.420	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@@H](C)N(C)C1CC1	109173951	SNFXNXUOCWHFTA-LLVKDONJSA-N	320.393	1.122	50	20	DDGD	
CSC[C@@H](C)C(=O)NNC(=O)Cc1cn2ccccc2n1	173877360	OZRKLLOKUVOLIP-SNVBAGLBSA-N	306.391	1.023	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NC[C@H]1Cc2ccccc2O1	103178687	HSJXONULUQLIAK-GFCCVEGCSA-N	305.378	1.757	50	20	DDGD	
O=C(CCc1c[nH]c2ccccc12)NNC(=O)Cc1cccnc1	103424963	QHWYHRBYVJZJRT-UHFFFAOYSA-N	322.368	1.886	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@@]1(C)CCCc2ccccc21	179675875	SFULTHBWDANVPA-QGZVFWFLSA-N	319.405	1.648	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnn(-c2ccccn2)c1C	68385223	HSAGJTGIXYZFRA-UHFFFAOYSA-N	316.365	1.320	50	20	DDGD	
CS[C@H](C(=O)NNC(=O)Cc1ccncc1)c1ccccc1	175803464	FAPPYKUPFNJMSR-HNNXBMFYSA-N	315.398	1.876	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCSCc1ccccn1	110760381	XSLXCXDFQSWOCL-UHFFFAOYSA-N	319.390	1.198	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2c(F)c(F)cc(F)c2F)cn1	177867828	ACAYARXZQWJGSU-UHFFFAOYSA-N	316.214	1.051	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2)on1)c1cccnc1	32193424	GBBZMKOTJIFYLK-UHFFFAOYSA-N	308.297	1.811	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1cc[nH]c(=O)c1	125048288	LDLOPLLXBZNFFZ-UHFFFAOYSA-N	308.681	1.693	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C[C@@H]1C=CCCC1	188981362	RFJZFQBYQJVUFJ-CYBMUJFWSA-N	318.373	1.968	50	20	DDGD	
O=C(Cc1ccc(F)cc1Cl)NNc1ncnc2nc[nH]c12	126946949	SOEPXCNXKXDHQN-UHFFFAOYSA-N	320.715	1.831	50	20	DDGD	
CC[C@@H](C)[C@@H](C)C(=O)NNc1nccc(N2CCOCC2)n1	184207987	VRWQNBYIHOBOQF-VXGBXAGGSA-N	307.398	1.439	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1	187845485	QVLOUKLSWAEQQZ-UHFFFAOYSA-N	316.361	1.548	50	20	DDGD	
C[C@H](CNC(=O)NNc1cccnn1)Oc1ccccc1F	75317035	DSBPOFPPFFEOGC-SNVBAGLBSA-N	305.313	1.709	50	20	DDGD	
CC(Cl)(Cl)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	182581674	MEMXQHORIQCIKE-UHFFFAOYSA-N	319.144	1.413	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNC(=O)Cc1ccc(F)cc1	78869497	VMSVDCBDCOLVTM-UHFFFAOYSA-N	304.325	1.180	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CCC2	126043563	OJLDMMNUAPHTHS-UHFFFAOYSA-N	317.389	1.697	50	20	DDGD	
CC(=O)NNC(=O)Nc1cccc(C)c1C(=O)N1CCCC1	181958232	FXKLNLBEICIAMZ-UHFFFAOYSA-N	304.350	1.404	50	20	DDGD	
Cn1ccc2ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)cc21	184497180	NIEXOWPTWPTWLY-UHFFFAOYSA-N	316.361	1.310	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(C(F)(F)F)cn1)n1cncn1	131750555	XVOBLSXHHCPYAD-ZETCQYMHSA-N	300.244	1.396	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc(OC)c(F)c1	194177125	POIKAQYMDRKLCQ-QMMMGPOBSA-N	304.343	1.190	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2C[C@@H](C)[C@H](CO)C2)cc(C#N)n1C	191858774	GTGDSHYDLYRGNO-CLGDQOEUSA-N	312.373	1.199	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)CSCC#N)cc2C1	42017503	MPPAVBLXVGTWCY-SECBINFHSA-N	323.443	1.891	50	20	DDGD	
COCCN(C)c1ccc(/C=C(\C#N)C(=O)NC2CC2)cn1	190229578	CLUWRCSEZBKKKR-UKTHLTGXSA-N	300.362	1.350	50	20	DDGD	
CC(C)(C)O[C@H](C(=O)NNC(=O)C(C)(C)O)c1ccccc1	192913252	WYJGUDAESRAMJO-LBPRGKRZSA-N	308.378	1.461	50	20	DDGD	
COCCCNC(=O)NNC(=O)/C=C/c1ccc(Cl)s1	139625941	GPIDLBXYIBBGQF-GQCTYLIASA-N	317.798	1.782	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cnn(CC(C)C)c2)cc1	131575240	IQSMSFPSDCHNIW-UHFFFAOYSA-N	315.377	1.929	50	20	DDGD	
CCOC1(CNS(=O)(=O)CBr)CCCC1	381845445	VVRQLWPZGVOPKK-UHFFFAOYSA-N	300.218	1.608	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@H](c2ccco2)N(C)C)o1	84412440	JDILIXIHRHAMPI-NSHDSACASA-N	320.349	1.428	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1)C1CC1	81107042	WLPLMRKIZAVQEB-OAHLLOKOSA-N	319.380	1.738	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)NC(=O)CC(C)(C)C)o1	190164646	YFRVHMVYVRVPFA-JTQLQIEISA-N	309.366	1.290	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	143477632	WRHVLATWGPHXNP-JTQLQIEISA-N	309.322	1.561	50	20	DDGD	
CC(=NNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccncc1	254579309	RJGSONKPFYXAAT-UHFFFAOYSA-N	307.313	1.472	50	20	DDGD	
CC[C@H](C(=O)NNc1cccc([N+](=O)[O-])c1C)N1CCCC1=O	269635501	YHJRWEZELPFEIM-GFCCVEGCSA-N	320.349	1.747	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@]2(N(C)C)CCSC2)n1	267136913	DNXGZNSWJINJMV-CQSZACIVSA-N	324.454	1.157	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc2c(c1)CCCC2)C1CCC1	264797583	UCVWJMPARXCEMA-UHFFFAOYSA-N	308.403	1.675	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cc2c(nc1O)CCCCC2	265662441	FCWWLCSITOLDHY-UHFFFAOYSA-N	303.362	1.617	50	20	DDGD	
O=C(NNc1ccc(Cl)c(F)c1)[C@@H]1OC[C@@H]2COCC[C@@H]21	368165479	RLLCDAHDOJPKCQ-GMOODISLSA-N	314.744	1.974	50	20	DDGD	
CC(C)(C)[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(Cl)c[nH]1	276878474	LBZVZWAAHGSPKN-ONGXEEELSA-N	313.785	1.880	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNc2nc(-c3ccncc3)no2)CCO1	271895752	VCKXAXULSGWUED-KOLCDFICSA-N	303.322	1.390	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cc(C3CC3)[nH]n2)c1	272857939	TZNPXPRVMYGYHB-UHFFFAOYSA-N	300.318	1.831	50	20	DDGD	
COC(=O)CSCCNC(=O)NNc1cc(Cl)ccn1	272440404	PDQVJPAJVMINLE-UHFFFAOYSA-N	318.786	1.267	50	20	DDGD	
C[C@@H](Sc1nncn1C)C(=O)NNc1cc(Cl)ccn1	272422217	FOFAUIFOXXUGKB-SSDOTTSWSA-N	312.786	1.487	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CSCCS2)nc1	270361485	GVTHEBQYIVMUFR-VIFPVBQESA-N	313.404	1.160	50	20	DDGD	
CC(C)(C)OC(=O)CCC(=O)NNC(=O)CNc1ccccc1	277597051	SZIYDFGYOPQLSF-UHFFFAOYSA-N	321.377	1.368	50	20	DDGD	
O=C(CN1CSCC1=O)NNc1cc(Cl)cc(Cl)c1	276895058	RISGAYKFHILIPA-UHFFFAOYSA-N	320.201	1.969	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(Br)cc1O	271428870	PGQCUDOYGZMGLZ-UHFFFAOYSA-N	316.155	1.461	50	20	DDGD	
CC1CCN(C(=O)C(=O)NNc2cc(F)c(F)cc2F)CC1	278372462	IKMNERZYDGPMFN-UHFFFAOYSA-N	315.295	1.806	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(c2ccc(C)cc2)C(=O)C1	375935883	TZRBAGGXQYNKDS-WYMLVPIESA-N	313.357	1.614	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1c(C)coc1C	287263102	XMGMDWOXVVPGFQ-UHFFFAOYSA-N	317.345	1.778	50	20	DDGD	
NC(=O)[C@H]1CC[C@@H](C(=O)NNc2cc(Cl)ccc2Cl)O1	281101912	GSPONPZUKDMYGF-ZJUUUORDSA-N	318.160	1.469	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)CCCc1ccccc1	282206937	QJOBEMPJPNVGCS-WOSRLPQWSA-N	304.390	1.970	50	20	DDGD	
O=C(CC[C@@H]1CCOC1)NNC(=O)Nc1cc(F)cc(F)c1	283807680	WTCVMJYHNBQVRA-SECBINFHSA-N	313.304	1.934	50	20	DDGD	
CCS[C@H]1CCC[C@H]1NCC(=O)NNC(=O)c1ccccc1	286247904	SBKYQHIKLYXBHH-KGLIPLIRSA-N	321.446	1.711	50	20	DDGD	
CSSCCNS(=O)(=O)c1ccc(N(C)C)nc1	287185509	DGJUCGGGCFQFGY-UHFFFAOYSA-N	307.466	1.437	50	20	DDGD	
CCN(CCOCCO)C(=O)/C(C#N)=C\c1ccc(F)cc1	282475862	LQHYBQHVHCCLCB-KAMYIIQDSA-N	306.337	1.590	50	20	DDGD	
CCC[C@](C)(CC)C(=O)NNc1nccc(N2CCOCC2)n1	281420956	IOXHXIJNRSGSJP-INIZCTEOSA-N	321.425	1.973	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc2c(c1)CCCC2=O	294885836	FSBOQFLDJLESED-UHFFFAOYSA-N	312.329	1.761	50	20	DDGD	
CCOC(=O)Oc1ccc(C(=O)NNc2cnccn2)cc1	800539750	LRJBKMLRSHDYSQ-UHFFFAOYSA-N	302.290	1.769	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2c3ccccc3O[C@@H]2C)n1	291824061	MLPOYWNTBUXGCK-NOZJJQNGSA-N	315.333	1.634	50	20	DDGD	
O=C(NCC1(c2ccc(F)cc2)CC1)NNc1ccncn1	296184918	GWOGQEIWHJWXAM-UHFFFAOYSA-N	301.325	1.974	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1cccc2c1CCCC2	294795345	BCFCACRLBNFVJK-UHFFFAOYSA-N	308.345	1.989	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H]1CCCN(Cc2ccccc2)C1	294219624	QQOFPJHJHIIMFJ-MRXNPFEDSA-N	315.417	1.846	50	20	DDGD	
CC(C)(C)OC(=O)Nc1ccc(C(=O)NNc2nnc[nH]2)cc1	293818061	FPBBLRUPBMOMJF-UHFFFAOYSA-N	318.337	1.909	50	20	DDGD	
COCCc1ccnc(NC(=O)NNC(=O)c2ccc[nH]2)c1	806657421	DFLGTVCKESSCEM-UHFFFAOYSA-N	303.322	1.065	50	20	DDGD	
Cn1cncc1CC(=O)NNC(=O)c1ccc2ccccc2c1	806510510	VPMNFOGDMGJLHV-UHFFFAOYSA-N	308.341	1.577	50	20	DDGD	
COc1ccc2c(c1F)CCC2=NNC(=O)Cc1cc(C)[nH]n1	807960699	KISZYYOXIAZGMY-UHFFFAOYSA-N	316.336	1.875	50	20	DDGD	
C[C@H](c1ccccc1)[C@](C)(O)C(=O)NNc1ncncc1F	294002986	MHNDCXZKRLZQJR-BMIGLBTASA-N	304.325	1.614	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)C(=O)NC(CC)CC)[C@H]1SC	807971960	JOUOCHAXURCBPU-NWDGAFQWSA-N	315.439	1.304	50	20	DDGD	
O=C(CO)NNC(=O)Nc1cccc(Cl)c1OCC(F)F	806825982	YXLFMRFDQNARJC-UHFFFAOYSA-N	323.683	1.129	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)Cc1coc2ccccc12	803720315	BQLRSDNBLIDGMW-JTQLQIEISA-N	318.329	1.464	50	20	DDGD	
C[C@@H]1SCCC1=NNC(=O)c1nnc(O)c2ccccc12	814740547	WOVYZWARWXBSPG-QMMMGPOBSA-N	302.359	1.947	50	20	DDGD	
CO[C@H]1CCC[C@H](C(=O)NNC(=O)Cc2ccccc2C)C1	814410310	IBVQQCUGYYQVBV-GJZGRUSLSA-N	304.390	1.890	50	20	DDGD	
O=C(CCc1cc(Br)cs1)NNc1nc[nH]n1	816632193	XZPOBIFHSAGSDA-UHFFFAOYSA-N	316.184	1.705	50	20	DDGD	
COCCCNC(=O)NN=Cc1ncc(CSC)s1	814819977	VSVIIDXQAPXAJK-UHFFFAOYSA-N	302.425	1.676	50	20	DDGD	
Cn1c(NNC(=O)Cc2ccc3c(c2)OCO3)nc2ccccc21	816578685	LWBWEAHZQGQORL-UHFFFAOYSA-N	324.340	1.988	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1cc(N)ccc1F	814854254	GDKXLCRNXCVDFL-UHFFFAOYSA-N	308.357	1.553	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@@H](C)n2cccn2)cc1F	819559514	OFSDHPKMGUARCG-SNVBAGLBSA-N	320.324	1.903	50	20	DDGD	
COc1ccc2c(c1OC)OCC2=NNC(=O)c1cccnc1	814687160	QEIUBNIEWPLXNI-UHFFFAOYSA-N	313.313	1.625	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H]1CCO[C@@H](C)C1	819710273	DPHGOBAMWNUBKH-VHSXEESVSA-N	310.325	1.871	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)NCc2ccco2)c1	726482592	LJFDYHFHMVJVGJ-UHFFFAOYSA-N	314.370	1.962	50	20	DDGD	
O=C1CC(C(=O)NN=c2cc[nH]cc2Cl)(c2ccccc2)C1	810506820	COWALFNNDJNTCO-UHFFFAOYSA-N	315.760	1.901	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](CCO)CC1	817297424	QJATUUXVCLAKIK-KGLIPLIRSA-N	313.442	1.053	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2cccc(Cl)n2)sn1	815728739	RGQWNRREWSWAED-UHFFFAOYSA-N	311.754	1.582	50	20	DDGD	
CC[C@@H](C=NNC(=O)Cc1cc(O)nc(O)n1)c1ccccc1	814860012	JIGZREXDFUDFSS-NSHDSACASA-N	314.345	1.726	50	20	DDGD	
CCOCc1nc(C)c(C(=O)NNC(=O)c2ccc(C)o2)s1	826759385	UYOYFPHBWQHTHC-UHFFFAOYSA-N	323.374	1.964	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)/C=C\c1ccc[nH]1	493225853	POQWCFRHOHFXPW-SREVYHEPSA-N	322.365	1.090	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(CC(=O)NNC(=O)CC2CC2)C1	496764727	BOJHXINQBAYFSM-UHFFFAOYSA-N	311.382	1.191	50	20	DDGD	
O=C(CCc1ccncc1)NNC(=O)COc1ccc(F)cc1	729300074	NRMDJIOSQSWPSF-UHFFFAOYSA-N	317.320	1.380	50	20	DDGD	
CC(C)C(=O)NNC(=O)NNC(=O)CCCc1ccccc1	727845606	UJKQRKZGSOIAQU-UHFFFAOYSA-N	306.366	1.027	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C)[C@H](C)c1cccc(C#N)c1	823619206	ZNOBBYSNIBKCCU-GFCCVEGCSA-N	302.378	1.354	50	20	DDGD	
CCCCC[C@@H](O)C(=O)NNC(=O)c1ccc2ccccc2n1	822114902	MRJXOQUCPKDFHT-OAHLLOKOSA-N	315.373	1.937	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc2c(N(C)C)cccc2s1	823384201	FACIYMDXOWKYEL-SNVBAGLBSA-N	307.419	1.925	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)c(Cl)n1	820936090	HEPUXTZBBBRGMY-VIFPVBQESA-N	313.741	1.074	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc2c(cc1Cl)OCO2	494468593	IYCROFLFDLLNDX-UHFFFAOYSA-N	301.686	1.851	50	20	DDGD	
O=C(NCCC1CCC1)NNc1cccc(-c2nn[nH]n2)c1	823182959	QOLDFSHPICLEEN-UHFFFAOYSA-N	301.354	1.683	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCCc1nc(-c2cccs2)no1	823971193	QJAXCHPJRSPGNP-JTQLQIEISA-N	324.406	1.465	50	20	DDGD	
CC[C@@H]1CCC[C@H]1C(=O)NNC(=O)CNC(=O)OC(C)(C)C	496909352	PLUGVGHLIZPPSL-GHMZBOCLSA-N	313.398	1.485	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1oc2ccc(F)cc2c1C	493509778	FRAUIPHDKOTOLO-UHFFFAOYSA-N	302.283	1.430	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@](C)(CC(=O)OC)c1ccccn1	491132481	NLDKPIBTBNUTBW-JNSOCZORSA-N	317.345	1.420	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cccc(OCC(F)F)n1	494064433	GRXLUZMKCVZEHU-UHFFFAOYSA-N	317.292	1.895	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1nc2c(s1)CCC2	728938691	MTIZKMYBAZBMCM-UHFFFAOYSA-N	317.374	1.422	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C1(C)CCOCC1	726753703	FWDMGRJWFGMILC-UHFFFAOYSA-N	306.362	1.202	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2CCCC3(C2)OCCO3)C[C@@H]1Br	907276655	KNBGQAOIXMUEHN-SCVCMEIPSA-N	318.211	1.962	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)c3ccn(C)n3)cc2C1	727366225	JJQPTRMIFNNGPU-SECBINFHSA-N	318.402	1.681	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccn(-c2ccc(F)cc2F)n1	823935367	QIWFERNWVOEENK-SECBINFHSA-N	310.304	1.108	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCCCC[C@@H]1c1ccco1	584950121	PRXAKOYQAQVFIS-OAHLLOKOSA-N	313.162	1.717	50	20	DDGD	
Cc1nnc(NNC(=O)C2CC(O)(CCC(C)(C)C)C2)nc1O	824051368	XRMVYBYOQYJKPW-UHFFFAOYSA-N	323.397	1.296	50	20	DDGD	
Cc1nn(CC(C)C)c(C)c1CCC(=O)NN(C)[C@H](C)CO	823983148	LYTABUDQCDNWEO-GFCCVEGCSA-N	310.442	1.432	50	20	DDGD	
C[C@@]1(C(=O)Nc2nc(CC(N)=O)cs2)C[C@@H]1Br	906362534	IIPVLGDTHBNPAK-QUBYGPBYSA-N	318.196	1.283	50	20	DDGD	
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NNC(=O)c1cccc(C)n1	907892814	RZGVFDUTABIOPG-NWDGAFQWSA-N	319.361	1.130	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1)N(C)C	821158572	NQFCMFMKDAWRNH-MRVPVSSYSA-N	321.349	1.076	50	20	DDGD	
COC(=O)N(C)N=Cc1c(C)n(C)n(-c2ccccc2)c1=O	495809324	JQNYYOUGTODGIG-UHFFFAOYSA-N	302.334	1.517	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](C)OCCc1ccccc1	823176105	NWPHDOYUCCNENF-GFCCVEGCSA-N	316.361	1.127	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCCc2cc(OC)ccc2C1	732200748	MXNBEANEXOWYLN-GFCCVEGCSA-N	319.405	1.389	50	20	DDGD	
C[C@]1(C(=O)NN2Cc3ccccc3C2=O)C[C@H]1Br	907292385	RJZFDCNHNHOKSG-MFKMUULPSA-N	309.163	1.847	50	20	DDGD	
O=C(CCn1ccnc1)NNC(=O)c1cccc2ncccc12	730228053	YHIPTKCQJJKCAC-UHFFFAOYSA-N	309.329	1.283	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC(O)(C(=O)O)CC1	909285608	MZPLQKFCAGMQNR-MRVPVSSYSA-N	322.199	1.234	50	20	DDGD	
C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1cccc(B(O)O)c1	584984828	CJILGXDAOHPLAQ-ZBFHGGJFSA-N	323.201	1.775	50	20	DDGD	
COc1ccc(C(=O)O)cc1C=NNC(=O)[C@@H]1CCO[C@@H]1C	901259839	TVCKCVTZWXCSDU-BXKDBHETSA-N	306.318	1.269	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1nc(-c2cccnc2)no1)[C@H](C)N	831890584	NFXDAUOOCINJSO-ONGXEEELSA-N	304.354	1.194	50	20	DDGD	
CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)CC1	584952717	WHOYBRZOGWPTSK-CQSZACIVSA-N	303.211	1.655	50	20	DDGD	
CC1(C)CN(C(=O)[C@]2(C)C[C@H]2Br)C[C@H](CO)O1	911175921	HSKHRJHJZFCPOP-KBVBSXBZSA-N	306.200	1.158	50	20	DDGD	
CN(C)CC(=O)NN=C1CCc2ccc(OC(F)(F)F)cc21	737435609	YEVNIITZXVEIDP-UHFFFAOYSA-N	315.295	1.913	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	730210158	LMSFDSCTZFZYLB-JTQLQIEISA-N	321.352	1.372	50	20	DDGD	
CCCCCNC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1cnn(C)c1	837968673	FTXUOCCVPVIGEZ-QENILXLESA-N	318.377	1.565	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)[C@H]1C[C@H]2CC[C@H]1O2	834932569	IWCGVMKZVMCOBO-NMFUWQPSSA-N	309.410	1.014	50	20	DDGD	
CNc1cc(C(=O)NNC(=O)[C@H]2CCCCO2)cc(Cl)n1	833250140	CNYVTLPVHJFNIC-SECBINFHSA-N	312.757	1.107	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1CCC[C@@H]1Cc1ccccn1	585047183	JTSVIUGFKPWWPI-RDTXWAMCSA-N	310.206	1.262	50	20	DDGD	
O=C(NNc1cccc(Br)n1)[C@@H]1C[C@]12CCOC2	837211919	MGBRAKXLFGKBGM-UFBFGSQYSA-N	312.167	1.714	50	20	DDGD	
OB(O)c1ccc(CNc2ccc3c(c2)OC2(CCCC2)O3)o1	585035168	YVEVWDYRTDIXRU-UHFFFAOYSA-N	315.134	1.613	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H]2C[C@@H](C)n3ccnc32)n1	836629735	WVUGDZUKHQVNMB-ZJUUUORDSA-N	317.353	1.322	50	20	DDGD	
C[C@@H]1CCc2ccccc2N1CCC(=O)N1CC[C@H](B(O)O)C1	585068673	DGODEWFFDZGEDP-HIFRSBDPSA-N	316.210	1.293	50	20	DDGD	
CCOCC(=O)NN=Cc1cc(Cl)c2c(c1)OCCCO2	731154222	AEWIJYMWHNGYIA-UHFFFAOYSA-N	312.753	1.988	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)Cn1cc(C2CC2)cn1	831707044	UCRCQJRDWHEJBV-UHFFFAOYSA-N	314.345	1.690	50	20	DDGD	
C[C@@H](CNCc1ccc(B(O)O)cc1F)Oc1ccc(F)cc1	585026633	IVHKAKNUGKNDAI-NSHDSACASA-N	321.132	1.202	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(S)n1)c1cncc(F)c1	737427660	PPYZHUVIMOBCPO-UHFFFAOYSA-N	321.337	1.088	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1	914603348	LGRJUHIEJKTTBL-CYBMUJFWSA-N	317.389	1.261	50	20	DDGD	
C[C@H]1CC[C@H](CNC(=O)NNC(=O)C(C)(C)c2ccccc2)O1	838740470	AGEPPXISGJRCMF-GXTWGEPZSA-N	319.405	1.862	50	20	DDGD	
CCCc1ccc(C(=O)CCC(=O)NN(C)C[C@@H](C)O)cc1	910183119	NWKJWRBBTOBCKA-CYBMUJFWSA-N	306.406	1.946	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=Cc1cn2ccccc2n1	918710517	RVQNRFXOVPHYKA-UHFFFAOYSA-N	319.324	1.735	50	20	DDGD	
CCOc1ccc(NNC(=O)NC[C@H](C)S(C)(=O)=O)cc1	838527200	NSBCHFPHHVUTRY-JTQLQIEISA-N	315.395	1.145	50	20	DDGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2ncccn2)c1C	743413872	CHUHUNIFOYUEDC-UHFFFAOYSA-N	321.344	1.702	50	20	DDGD	
C[C@](NS(=O)(=O)CCl)(C(N)=O)c1cccc(Cl)c1	830800087	YEHZYXQNEWTNEH-SNVBAGLBSA-N	311.190	1.156	50	20	DDGD	
CCOCc1cc(C=NNC(=O)c2cnccn2)ccc1OC	747610733	HKFRPDMZWWGUQF-UHFFFAOYSA-N	314.345	1.786	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)COc2ccc(C)cc2)COC1	838698660	QOGIJBPVNNTHJI-UHFFFAOYSA-N	321.377	1.131	50	20	DDGD	
CCO[C@H]1CCN(C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	923375136	YGMSAWQPWPHHLX-JBLDHEPKSA-N	305.216	1.980	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)NCC(F)(F)F)cc1	917553701	RQUMCIJCCSTYRH-UHFFFAOYSA-N	303.240	1.669	50	20	DDGD	
CCCN(CC)C(=O)c1ccc(C(=O)NN(C)C[C@H](C)O)cc1	910166076	RYSYQQSRJGDSSN-ZDUSSCGKSA-N	321.421	1.516	50	20	DDGD	
COC(=O)Cn1cc(/C=C(\C#N)c2nc(C3CC3)cs2)nn1	843272835	OETVHAGFWLBWJM-ONNFQVAWSA-N	315.358	1.849	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccc(OCC#N)cc2)n1	744742142	AXCXIBXGHTYSKY-UHFFFAOYSA-N	311.345	1.553	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2C[C@H](C)[C@H](C)[C@@H]2C)n1	842167832	XEKDYQCECOHGSO-DLOVCJGASA-N	324.450	1.118	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)C(C)(C)CO)c1	847285414	KFZSVXHZZFQVRL-UHFFFAOYSA-N	322.405	1.663	50	20	DDGD	
O=C(C[C@H]1CCc2ccccc2C1)NNC(=O)c1ncccn1	841355052	WGELTLGNXQGXAJ-LBPRGKRZSA-N	310.357	1.433	50	20	DDGD	
CCC/C=C\C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1	744772538	CNXSRSHBIWOCSW-YWEYNIOJSA-N	315.329	1.219	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccccc1C(=O)OC	744747404	METRMPQOUUWTRV-UHFFFAOYSA-N	305.378	1.655	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)[C@H]1C[C@H]1c1ccc(F)cc1	743470094	NJPNDANZTKZZOP-QWRGUYRKSA-N	312.308	1.739	50	20	DDGD	
COC1(CNC(=O)NNC(=O)c2ccccc2C)CCOCC1	746702455	PVOOILCVTBCDFD-UHFFFAOYSA-N	321.377	1.135	50	20	DDGD	
COc1cccc(F)c1C(=O)NNC(=O)Cc1ccc(F)cc1	746098175	HOEPQKFTAWFGAT-UHFFFAOYSA-N	320.295	1.977	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc(O)c2ccccc12	843971086	OQOFZCIZSZQWLD-VHSXEESVSA-N	315.329	1.126	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)[C@@H]1C[C@H]2C=C[C@H]1CC2	842524366	BCMUOFDWHGSZDT-FQUUOJAGSA-N	310.419	1.516	50	20	DDGD	
CC(C)OCCCN(C)CC(=O)NNC(=O)c1cccs1	740881516	XZCCHUBNIUQEAK-UHFFFAOYSA-N	313.423	1.256	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NN=Cc1ccc(C(=O)O)[nH]1	749812628	PWJJDTNEWMYAOL-UHFFFAOYSA-N	311.301	1.213	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cc3ccccc3o2)CCN1	841988377	SILAVNCKYHQALX-PWSUYJOCSA-N	316.361	1.517	50	20	DDGD	
C[C@@H]1CCc2c(F)cccc2C1=NNC(=O)CN1CCCC1=O	748243886	GVUJMTDHHGCJDR-LLVKDONJSA-N	317.364	1.851	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)CN1CCCC1=O)c1cccc(F)c1	913730679	FAPJQBOLAHJIHQ-NSHDSACASA-N	321.352	1.089	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2nnc(C3CC3)s2)nc1	841588474	AAINUVPZCAPJOA-UHFFFAOYSA-N	304.379	1.945	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NNC(=O)CC(F)(F)F	918365629	ADWVHIAZZCQFNK-QMMMGPOBSA-N	323.315	1.123	50	20	DDGD	
COc1ccnc(NNC(=O)CSCc2ccccn2)n1	918321826	QMBNYTYGJVMOFW-UHFFFAOYSA-N	305.363	1.257	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cnn(-c3ccccc3)c2)n1	746623924	PHAVCMHLQVQNOV-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
NC(=O)[C@H]1CCC[C@@H](C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)C1	842247250	FRYOLIWEMSKSMQ-DTWKUNHWSA-N	324.312	1.469	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)[C@H]1CCCS1(=O)=O	848197396	QSBNNMCZJCXGJA-SNVBAGLBSA-N	302.783	1.669	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)[C@@H]1C[C@H]1c1ccc(F)cc1	743470095	NJPNDANZTKZZOP-WDEREUQCSA-N	312.308	1.739	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@@H]1CCc2n[nH]cc2C1	846641293	APTHXZQLRINGFP-SECBINFHSA-N	304.325	1.806	50	20	DDGD	
Cn1cc2c(n1)CCC[C@H]2C(=O)NNc1nc2ccccc2n1C	848380610	LJMYHPUFFBDIAW-LLVKDONJSA-N	324.388	1.870	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)/C=C\c1ccc(Cl)cc1	843642609	XPHOKYUQMNEEJQ-NJDNHLCCSA-N	308.765	1.926	50	20	DDGD	
CCn1ncnc1C=NNC(=O)[C@H](C)Oc1cccc(C)c1C	848403636	ZHRYAPORKDDSBD-ZDUSSCGKSA-N	315.377	1.832	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)Cn2ccnc2C)cc1	846377118	NQXPIJNEUJMYKT-UHFFFAOYSA-N	302.334	1.050	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](C)COCC1CCCCC1	925742258	REOXCFWAMDUPKA-NSHDSACASA-N	301.387	1.884	50	20	DDGD	
Cc1cc(C(=O)NNc2ncccc2[N+](=O)[O-])c2n[nH]cc2c1	759297988	SLCDCGWGZAAILU-UHFFFAOYSA-N	312.289	1.931	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNc1ncc(Cl)cn1)c1ccco1	856830001	BTBJGYOFGRMZLH-SNVBAGLBSA-N	324.772	1.652	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1)C1CC1	858122355	UZMOGJFLPKGASU-AWEZNQCLSA-N	321.808	1.862	50	20	DDGD	
COC[C@H](CNC(=O)NNc1ccc(F)cc1Cl)OC	921874941	ARHZFCDKMFODNN-VIFPVBQESA-N	305.737	1.767	50	20	DDGD	
O=C(NN=Cc1cn2cc(Cl)ccc2n1)c1cnccn1	920374897	CJQUEGYBOZUARQ-UHFFFAOYSA-N	300.709	1.542	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)c1ccc(Cl)cc1OC	755092770	YIHZVQQNOFRTTM-SECBINFHSA-N	314.769	1.782	50	20	DDGD	
C[C@@]1(CNC(=O)N2CCC3(C2)OCCO3)C[C@H]1Br	856954998	JVGCODFFTUHVRI-KOLCDFICSA-N	319.199	1.318	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc[nH]n2)c(OC(C)C)c1	855356518	NQPJMEORXKPITI-UHFFFAOYSA-N	318.333	1.280	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)C(C)(C)S(C)(=O)=O	928339498	HOVJYFDOUHDVTF-UHFFFAOYSA-N	304.799	1.915	50	20	DDGD	
COc1cccc([C@@H](CNC(=O)NNC(=O)C(C)(C)C)OC)c1	858205500	CXEURZRUKQVTER-CYBMUJFWSA-N	323.393	1.759	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccc(COC2CCCC2)cc1	756685976	PJZGJVXMWRJAMG-UHFFFAOYSA-N	307.350	1.291	50	20	DDGD	
CC(=O)N[C@@H](CCC(C)C)C(=O)NNC(=O)c1ccccc1O	856762120	MRXMQXQEYKGBHL-ZDUSSCGKSA-N	321.377	1.094	50	20	DDGD	
CNc1snc(C)c1C(=O)NNC(=O)OCC(F)(F)F	856025289	RKIVSQGDZVDIGO-UHFFFAOYSA-N	312.273	1.427	50	20	DDGD	
COCc1csc(C(=O)NNC(=O)Cn2nc(C)cc2C)c1	854232103	LMPSBMAUAYORHP-UHFFFAOYSA-N	322.390	1.169	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)C[C@H]2CCC(=O)N2)cc1	854206919	ILBFYXGEMKWULJ-CYBMUJFWSA-N	317.389	1.414	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@]2(C)COc3ccccc3O2)n1	858264939	OCTKNXZXUPNYDY-MRXNPFEDSA-N	314.345	1.767	50	20	DDGD	
N#CC1CCC(CNC(=O)NNC(=O)c2cccc(F)n2)CC1	852306342	DGRVJWJJWCLUQL-UHFFFAOYSA-N	319.340	1.495	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C\c1cc(C(F)(F)F)nn1C	853000925	IPSQSGOOCPJMLN-HMXLAXJASA-N	316.283	1.497	50	20	DDGD	
CC(CN1C(=O)CCC1=O)=NNC(=O)NCCc1cccs1	754941380	GAXSTCCUXAJQIG-UHFFFAOYSA-N	322.390	1.115	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)[C@H]1CCCCO1)C1CCCC1	852659677	UVNKSRIOSIQXOT-OLZOCXBDSA-N	313.398	1.091	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@](C)(O)c1ccc(Cl)cc1	854921870	QCNTUTHQRWLZIB-LBPRGKRZSA-N	301.799	1.015	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](C)Oc1ccc(SC)cc1	854924627	MAFCHLDPNPCYSF-VIFPVBQESA-N	313.448	1.643	50	20	DDGD	
COCCOCc1ccc(C(=O)NN=c2cc[nH]c(C)c2)cc1	862513831	LWOCDNUEUHERSI-UHFFFAOYSA-N	315.373	1.732	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNc1ccc(F)c(F)c1F	935020501	PXKKWXOMCNGKCC-RNFRBKRXSA-N	302.252	1.746	50	20	DDGD	
COc1cc(F)cc(OC)c1/C=C(\C#N)S(=O)(=O)N(C)C	865224727	UMORRPPXAYPVNY-JXMROGBWSA-N	314.338	1.599	50	20	DDGD	
Cc1ncsc1CCS(=O)(=O)NCC(Cl)Cl	867470140	LIRNVBCMSVGCOK-UHFFFAOYSA-N	303.236	1.717	50	20	DDGD	
C#CCN(CC(=O)NNC(=O)c1ccccc1Cl)C(C)C	932390484	MIZXVAAHGCDUPA-UHFFFAOYSA-N	307.781	1.445	50	20	DDGD	
CC(C)[C@H]1C[C@H](C(=O)NNC(=O)Cc2ccccc2F)CCO1	932375973	CCNLWUUKFWDUAA-UKRRQHHQSA-N	322.380	1.967	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)COC(=O)CC(C)C	767250501	YKNMSAPCXYDUMC-UHFFFAOYSA-N	306.362	1.274	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cccc2ncnn12	863100349	PUKDHAMETVUYJY-UHFFFAOYSA-N	309.198	1.161	50	20	DDGD	
Cn1nc2c(c1C(=O)NNc1nccnc1Cl)CCCC2	768064978	IKVCWWRZJYSAIR-UHFFFAOYSA-N	306.757	1.499	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1ccc2occc2c1	861806285	ACYXTHXKMMMWOA-UHFFFAOYSA-N	319.317	1.927	50	20	DDGD	
Cn1cc(/C=C/C(=O)NNc2cc(C#N)cc(Cl)n2)cn1	769055492	HJYCERKMEKMIBF-NSCUHMNNSA-N	302.725	1.497	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=S)NCc1ccon1	764479463	VMPPRKWBDIIPFE-UHFFFAOYSA-N	308.338	1.052	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccnc(O)c1	760196050	WUVNKKYHMMUHFG-UHFFFAOYSA-N	315.373	1.765	50	20	DDGD	
CCc1ccc(OCC(=O)NNC(=O)c2cccc(F)n2)cc1	763302599	OCANFZFDPRDPGN-UHFFFAOYSA-N	317.320	1.623	50	20	DDGD	
CCNC(=O)N(C)N=Cc1cc(Cl)cc([N+](=O)[O-])c1O	769592581	SYCXFIDLGKPBOW-UHFFFAOYSA-N	300.702	1.949	50	20	DDGD	
O=C1NCCC[C@@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	868970043	ZMFQQDWFXXXLMF-ZETCQYMHSA-N	303.149	1.358	50	20	DDGD	
O=C(NNc1ccc(F)c(Cl)c1)[C@@H]1CCc2nncn2C1	863082674	QISIESIABKGIDT-MRVPVSSYSA-N	309.732	1.776	50	20	DDGD	
CC[C@H](C)n1nc(NC(=O)C(=O)NNC(=O)[C@H](C)CC)cc1C	764080781	ALSDYIMNCZVFSS-ZJUUUORDSA-N	323.397	1.295	50	20	DDGD	
Cc1nc2ccc(NC(=O)C(=O)NNC(=O)C(C)C)cc2s1	763822157	XXBUADARZQVGFB-UHFFFAOYSA-N	320.374	1.347	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccc3c(c2)ncn3C)n1	761253247	XIQVDTYGQOAVFB-UHFFFAOYSA-N	310.361	1.537	50	20	DDGD	
Cn1nc(Br)cc1C(=O)NNc1cccc(C#N)c1	760459754	KAZRVJLPYYVGON-UHFFFAOYSA-N	320.150	1.811	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)Nc2cccnc2)C[C@@H]1Br	1118809957	PIWCFAUXYPTEQP-JOYOIKCWSA-N	312.167	1.310	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NNC(=O)c1ccc[nH]1	1118905140	GRKKQZCRLCJNFK-JTQLQIEISA-N	324.381	1.421	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1nccs1	1118126418	OIOPPVOYXCZASJ-OPRDCNLKSA-N	312.395	1.002	50	20	DDGD	
CCCCn1cc(S(=O)(=O)NNC(=O)[C@@H](C)CC)c(C)n1	872339873	CMCNGWXMPLCWRF-JTQLQIEISA-N	316.427	1.347	50	20	DDGD	
CCNC(=O)CCC(=O)NNc1cc(C(F)(F)F)ccn1	1117769978	JIYGRSLOXLBCRF-UHFFFAOYSA-N	304.272	1.460	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=S)Nc2ccccn2)[C@H]1C	874957509	MRGLPUCUGZKFTI-UXCLJVHYSA-N	308.407	1.459	50	20	DDGD	
CC[C@@H](CO)C(=O)NNC(=O)c1cc(-c2ccc(C)cc2)[nH]n1	779737505	QJRONODIIGYAEM-NSHDSACASA-N	316.361	1.165	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1ccc2nnc(S)n2c1	774418137	GVWYYLDQYRRFLU-UHFFFAOYSA-N	321.753	1.218	50	20	DDGD	
COc1ccc(C)cc1CCNC(=O)NN=c1cc[nH]c(C)c1	875020550	MLRGIUVXBQAGIR-UHFFFAOYSA-N	314.389	1.998	50	20	DDGD	
COc1cc(C=NNC(=O)C(=O)Nc2ccccn2)ccc1C	773059549	SNJSRGZNQAWTCT-UHFFFAOYSA-N	312.329	1.487	50	20	DDGD	
CCOc1cc(F)ccc1NC(=O)C(=O)NNc1ncccn1	773724109	LRENLGKFYOVDAY-UHFFFAOYSA-N	319.296	1.096	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)Oc1cccc(C)c1	771934232	OZBOEXCLXBLBSR-RYUDHWBXSA-N	322.361	1.251	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CNC(C)(C)c1cccc(F)c1	775444297	YQAJVZBZIWHOGR-UHFFFAOYSA-N	309.385	1.844	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc2ncsc2c1	771848403	AMDNNMXJGDFRNS-QMMMGPOBSA-N	321.358	1.399	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)CCCCl)CCN1CC(F)(F)F	882028808	GBUGTNINMZVGIA-SECBINFHSA-N	322.780	1.514	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NN(C)C(=O)OC(C)(C)C	880277169	RUKXCXRJGMPAEP-CABZTGNLSA-N	308.382	1.974	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1ccc2c(c1)OCO2)C(F)F	881013750	FYJHBZHXVRKQAG-MRVPVSSYSA-N	315.276	1.403	50	20	DDGD	
Cn1nc2c(c1NC(=O)NNC(=O)c1ccccc1)CCCC2	880620032	NOAQZIWTRMVRER-UHFFFAOYSA-N	313.361	1.765	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)NCCC(F)F	1123842079	PFXUZZOYFSXKLL-UHFFFAOYSA-N	310.304	1.696	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2ncc(Cl)cc2Cl)co1	775273069	FAMGZNNUOQIUMI-UHFFFAOYSA-N	315.116	1.837	50	20	DDGD	
O=C1CCc2cc(C(=O)NNc3ccccn3)c(F)cc2N1	777469411	NUWLIFXUOXYNJQ-UHFFFAOYSA-N	300.293	1.862	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@H]1CCc2nnc(O)n2C1	1120672224	DEPXIYPHBJBPTA-VIFPVBQESA-N	305.313	1.137	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1ccc(N2CCOCC2)c(F)c1	780761942	OEKSDDJHGMVNKQ-UHFFFAOYSA-N	316.336	1.236	50	20	DDGD	
CC(C)OCc1ccc(C(=O)NNC(=O)c2cccnn2)cc1	882062072	ZVPHCFGUTFNQPZ-UHFFFAOYSA-N	314.345	1.476	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)C1(Cc2ccc(F)cc2)CC1	783613738	VFEXXCSCWJEJTB-UHFFFAOYSA-N	316.336	1.262	50	20	DDGD	
Cc1c(NNC(=O)c2cccc(C(N)=O)n2)cccc1[N+](=O)[O-]	782017783	DNMOFLRQAUJDDR-UHFFFAOYSA-N	315.289	1.154	50	20	DDGD	
C#CCOCCNC(=O)NNC(=O)[C@@H](CC)c1ccccc1	784544723	KHOPROCILWGIMC-AWEZNQCLSA-N	303.362	1.160	50	20	DDGD	
O=C(COc1ccc([N+](=O)[O-])c(F)c1)NNc1ccnc(F)c1	781360875	IQIGPGAYOPKNQH-UHFFFAOYSA-N	324.243	1.790	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H](O)C1CCCCC1	783697675	PVLHYWMVOBVOOE-CQSZACIVSA-N	306.362	1.858	50	20	DDGD	
CC1(C)CC[C@H](C(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1	781557824	VRXMREWNRUXCIU-SMDDNHRTSA-N	318.373	1.800	50	20	DDGD	
Cc1cc(C=NNC(=O)C(C)(C)O)c(C)n1-c1nccs1	785459939	FQOARAIBQDYUNI-UHFFFAOYSA-N	306.391	1.772	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@]2(OC)CCSC2)ccc1C	897815557	ASLBPWRJDLJJLS-OAHLLOKOSA-N	324.402	1.747	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCC(=O)N[C@@H](C)c1ccccc1	897290041	SKOPIRWFUAMATF-LBPRGKRZSA-N	320.393	1.337	50	20	DDGD	
Cc1cc(Cl)cc2c1OCCC2=NNC(=O)C[N+](C)(C)C	794457286	QRJPIUSOCJVJQR-UHFFFAOYSA-O	310.805	1.957	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)[C@H]1CCC(F)(F)C1	798128407	IRRVHJQGDWYCHR-QMMMGPOBSA-N	300.334	1.835	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1c(O)ccc(Cl)c1F	790152058	ZCWNYKBMAXVMSG-UHFFFAOYSA-N	313.716	1.257	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1ccc(C(=O)O)cc1Cl	794958419	OETGZOXIYHXBGR-YHYXMXQVSA-N	314.750	1.794	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)Nc1ccc([N+](=O)[O-])cc1	794754581	QQFVMHVOJYWEHH-UHFFFAOYSA-N	316.277	1.270	50	20	DDGD	
CCc1cnccc1CNC(=O)NNC(=O)c1cccc(C)n1	793149691	FRLQLJJBTOJCKE-UHFFFAOYSA-N	313.361	1.492	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc2cnn(CC)c2nc1C	799411085	IUVFPBPBUWFHIU-UHFFFAOYSA-N	318.381	1.504	50	20	DDGD	
Cc1cc[nH]c1C(=O)OCC(=O)NNC(=O)c1cccs1	797910344	LFFYKHWPWPQZET-UHFFFAOYSA-N	307.331	1.003	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C2CCN(C(C)C)CC2)n1	794084347	CLXVNEWMNKPPAY-UHFFFAOYSA-N	304.394	1.271	50	20	DDGD	
CO[C@@H]1COC[C@H]1NS(=O)(=O)c1ccc(CCl)cc1	916618955	DXPHALZVEHSJFT-VXGBXAGGSA-N	305.783	1.118	50	20	DDGD	
O=C(CCn1ccnc1)NNc1cncc(Br)c1	1319627188	NMGJNXVYDONFAU-UHFFFAOYSA-N	310.155	1.574	50	20	DDGD	
N#Cc1cccc(C2(C(=O)NNC(=O)CC(F)(F)F)CC2)c1	1319313236	RHCGLQQVVFLHML-UHFFFAOYSA-N	311.263	1.690	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNc2nncc(N)c2Cl)cn1	1324897691	BXNKPWPCDTZCEB-UHFFFAOYSA-N	321.772	1.557	50	20	DDGD	
CC(C)(Oc1ccccc1)C(=O)NNC(=O)N=c1cc[nH]cc1	1321257847	HXVAJBHFWKAFQF-UHFFFAOYSA-N	314.345	1.514	50	20	DDGD	
CC(C)(C)CCNC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1328932140	ZDISFTYANVAGOF-ZANVPECISA-N	319.243	1.829	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)/C=C\c2ccc(O)cc2)cc1	1321154027	JGRZHEDXGDHHEV-WCIBSUBMSA-N	312.325	1.875	50	20	DDGD	
CC[C@H](C(=O)NNc1ccc(C(C)(C)C)nn1)N1CCCC1=O	1323271176	ZMWQSYPFKSHLER-LLVKDONJSA-N	319.409	1.618	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H](C)OCCc1ccccc1	1326412287	JDQUHCOFBRGDJS-LBPRGKRZSA-N	309.435	1.538	50	20	DDGD	
C[C@@H](C[S@](C)=O)NC(=O)NNc1ccc(C(C)(C)C)nn1	1320334334	RHZWEKJZPQEVOX-FPVGNUTFSA-N	313.427	1.167	50	20	DDGD	
CC(C)c1ncc(C(=O)NNC(=O)c2cc(Cl)ccc2O)[nH]1	1329378870	LJWCLXRYVXMYBP-UHFFFAOYSA-N	322.752	1.967	50	20	DDGD	
Cc1cc(C)n2ncc(C(=O)NNC(=O)Nc3ccccc3)c2n1	1325263391	VEDZCBUVBVCDDB-UHFFFAOYSA-N	324.344	1.813	50	20	DDGD	
Cn1ccc(NNC(=O)c2ncccc2OCC(F)(F)F)n1	1320978170	FTUCCXDPIQLIKC-UHFFFAOYSA-N	315.255	1.513	50	20	DDGD	
CCN(CC)CC(=O)NNc1cncc(Br)c1	1321200141	AIBFLSLMPWKRIW-UHFFFAOYSA-N	301.188	1.629	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1cn(C)c2c(cnn2C)c1=O	1326766883	GJZJLOSZUOYJTE-UHFFFAOYSA-N	317.176	1.148	50	20	DDGD	
Cc1noc(C2CC2)c1C(=O)NNc1nncc(N)c1Cl	1338342035	FDFBHSANXJLBIH-UHFFFAOYSA-N	308.729	1.643	50	20	DDGD	
Cc1cnc(Cl)cc1C(=O)NNC(=S)NC(C)(C)C	1340517277	VBGZOEWHAUWUJW-UHFFFAOYSA-N	300.815	1.951	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)NC/C=C/Cl)C[C@H]1Br	1341676243	LWKGFDFUTGIQTO-DCMFILABSA-N	309.591	1.145	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=O)Cc2ccccc2C)c1C	1353611052	VMCCXMWLKZUFRQ-UHFFFAOYSA-N	314.389	1.914	50	20	DDGD	
C=C[C@@](C)(CC)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1602791101	ZIRUGIWAULHBKT-HNNXBMFYSA-N	314.349	1.230	50	20	DDGD	
N#CC1(C(=O)NNc2ccc(C(=O)O)c(Cl)c2)CCOCC1	1601050553	BKMMDYBRCUNWEW-UHFFFAOYSA-N	323.736	1.802	50	20	DDGD	
O=C(NNc1cccc(F)n1)Nc1ccc(-c2nn[nH]n2)cc1	1606861628	QRMUCBUZMVQLML-UHFFFAOYSA-N	314.284	1.549	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(C(=O)O)ccc1Cl	1609407213	RYADRVGMPHVQIO-UHFFFAOYSA-N	313.766	1.333	50	20	DDGD	
O=C(O)C(=O)NNC(=S)Nc1ccc(SC(F)F)cc1	1601635945	RDTUTJIGWSXYTM-UHFFFAOYSA-N	321.330	1.404	50	20	DDGD	
C[C@@H](O)[C@H](NC(=O)CCCC[C@H]1CCSS1)C(=O)O	1607424551	YSRJFASORLHIJQ-YWVKMMECSA-N	307.437	1.651	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2ccc(-c3nn[nH]n3)cc2)c(O)c1	1605820702	YNKHMBCYSIPPGG-UHFFFAOYSA-N	322.328	1.645	50	20	DDGD	
O=C(O)[C@H](C(=O)NNc1ncccc1C(F)(F)F)C1CC1	1605900465	BJCGQXUKAZLLTK-QMMMGPOBSA-N	303.240	1.654	50	20	DDGD	
Cc1ccc(C(=O)NN=C2C[C@H]3C[C@@H](C(=O)O)[C@H]2C3)cc1O	1600341638	SXXNYKBGOKFALO-YUSALJHKSA-N	302.330	1.917	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NOCCCC(=O)O)cc(C#N)n1C	1600009195	INBTWYKQSWBFQZ-WUXMJOGZSA-N	316.317	1.025	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@@H]2CCCO[C@@H]2c2ccnn2C)o1	1549315845	MVMFHPPNZPTCTD-HIFRSBDPSA-N	316.361	1.940	50	20	DDGD	
Cc1cc(C)n([C@@H](C)C(=O)NNc2ccc(C(=O)O)cn2)n1	1610454931	FHLBIQKKIBAOAF-JTQLQIEISA-N	303.322	1.297	50	20	DDGD	
CC#CC[C@@H](N)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	1574972978	RKINYKLDODMPIB-GFCCVEGCSA-N	319.430	1.519	50	20	DDGD	
CCNCc1cccc(NC(=O)NNC(=O)[C@H]2CCCS2)c1	1577876017	GFKCQKJRPQVHSM-CYBMUJFWSA-N	322.434	1.844	50	20	DDGD	
CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)CCCN	1577006140	RHDCYIRWYIOYBU-LBPRGKRZSA-N	307.394	1.465	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cccc(N)c2)c1F	1578878316	UHYFAJUMNUQBGU-UHFFFAOYSA-N	303.293	1.951	50	20	DDGD	
C[C@@H]1NCCn2c(C(=O)NNC(=O)CC3CCCC3)ccc21	1576894125	HXUICLTWDRPLPU-NSHDSACASA-N	304.394	1.494	50	20	DDGD	
O=C(C#CC1CCNCC1)NNc1cccc(C(F)(F)F)n1	1580473829	UMXVBEAKYQPGGT-UHFFFAOYSA-N	312.295	1.547	50	20	DDGD	
CC(C)(C)OCC(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1841844615	OLAXOMLUYONAOR-LLVKDONJSA-N	320.792	1.539	50	20	DDGD	
C=C(CBr)COC(=O)CCc1ocnc1C(=O)O	1588605149	ALUPWRGBNAEISG-UHFFFAOYSA-N	318.123	1.800	50	20	DDGD	
CCCC(=O)N1CCCC12CN(C(=O)[C@@H](Cl)COC)C2	1842658902	RPGGFPXEZUFGJW-NSHDSACASA-N	302.802	1.244	50	20	DDGD	
O=C([C@H](F)Br)N1CC2(CCCN2C(=O)C2CC2)C1	1846761744	YPLPBRMRCZFGBH-VIFPVBQESA-N	319.174	1.290	50	20	DDGD	
COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)C(C)(F)F)C2	1846361613	FHMKFRFGDYGZOA-VIFPVBQESA-N	324.755	1.099	50	20	DDGD	
CCCC[C@H](NNC(=O)CN1CCCc2ccccc21)C(=O)O	1595641417	WYJMCKPBXFWDEE-AWEZNQCLSA-N	319.405	1.703	50	20	DDGD	
C[C@@H]1CN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C[C@H]1C(=O)O	1599851970	ZISMDAQOVJFVDA-XVNHTCHDSA-N	302.305	1.912	50	20	DDGD	
CCOC(=O)[C@@H]1CC[C@H](C(=O)NNc2ccccc2C(=O)O)C1	1596679644	HLBASGFCNQCKQK-WDEREUQCSA-N	320.345	1.807	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)C1(c2cccnc2)CC1	1593166119	WISUEYYPABTUBP-UHFFFAOYSA-N	321.344	1.437	50	20	DDGD	
Cc1[nH]c(C=NNC(=O)c2ccc(C(=O)O)cc2)cc1C(=O)O	1776100610	QWNLSJXHUIHFDG-UHFFFAOYSA-N	315.285	1.483	50	20	DDGD	
CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cl)CC	1799265827	NLPOTKJLKOKUDX-LSCVPOLPSA-N	302.802	1.003	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1ccc([N+](=O)[O-])s1	15528855	HLGMBGKAPPTXOT-UHFFFAOYSA-N	323.305	1.799	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@H]1[C@@H]2CCO[C@@H]2C12CCC2	161450329	QKRWKHORZKERSA-IHRRRGAJSA-N	315.373	1.588	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=O)c1c[nH]nc1C	162631568	WCGVPAJSDMARRR-UHFFFAOYSA-N	318.293	1.401	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)Cc1n[nH]c2ccccc12	154146139	RLWNEXDZBIFYGZ-UHFFFAOYSA-N	322.368	1.886	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)Cc2c(C)nc(C)[nH]c2=O)c1	159122921	LWCXLDBSCKAHFB-UHFFFAOYSA-N	300.362	1.689	50	20	DDGD	
C[C@@H](C(=O)N(C)NC(=O)OCc1ccccc1)n1cncn1	862287003	LWSSNSUYURJDGO-NSHDSACASA-N	303.322	1.139	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)nn1	106269466	FTIPNZGBAUUQED-RYUDHWBXSA-N	320.397	1.201	50	20	DDGD	
CC[C@H](C)NC(=O)CCNC(=O)NNC(=O)CC(C)(C)C	103180499	ZNHAWAMDLOFEJA-JTQLQIEISA-N	300.403	1.058	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)CCc1ccccc1	8194287	UCGYDYMLCBGYRS-UHFFFAOYSA-N	309.435	1.493	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2ccccc2C)n1	175188099	TVAXDWQHZBUJRG-UHFFFAOYSA-N	301.350	1.928	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CNc2ccc(C#N)cc2)c(O)c1	64736460	ZNPSNOQRPJHCMW-UHFFFAOYSA-N	324.340	1.445	50	20	DDGD	
O=C(NNC(=O)[C@H]1Cc2ccccc2O1)NC1CCCCC1	69904732	XGXHECICVUVVDS-CQSZACIVSA-N	303.362	1.653	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2c[nH]nc2C)cc1	67994538	JISJNRGDJBYZBP-UHFFFAOYSA-N	304.375	1.580	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(-n2nccc2C)cc1	64426025	RACAEASMVCLEJJ-UHFFFAOYSA-N	315.377	1.925	50	20	DDGD	
CC(C)CC(C)(C)C(=O)NNC(=O)CNC(=O)c1ccco1	177210398	PXDCPUOFKAGOTH-UHFFFAOYSA-N	309.366	1.229	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(C2CC2)nc(SC)c1C#N	65190456	ZTODQHDCBYOPEF-UHFFFAOYSA-N	319.390	1.516	50	20	DDGD	
C=CC1CCN(C(=O)NNC(=O)COCc2ccccc2)CC1	127442264	RWWUJAPUOQDUSD-UHFFFAOYSA-N	317.389	1.842	50	20	DDGD	
C[C@@H]1CN(CCI)CC[S@](=O)C1	306702701	AJKKPTZVLWQGGD-PELKAZGASA-N	301.193	1.122	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNc1c(F)cccc1F	118510703	BVOAMCSUSAFLFS-UHFFFAOYSA-N	301.293	1.933	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H]1CCc2[nH]ncc2C1	174853908	AGBCIPKEXZSKGM-GFCCVEGCSA-N	321.812	1.749	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccc(C(=O)NC2CC2)cc1	123176610	YEAMCBFQJNEEOL-UHFFFAOYSA-N	315.308	1.265	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)c2ccc(C#N)cc2)n(C)c1	61464599	HXFJYNYGHFFWHH-UHFFFAOYSA-N	310.313	1.174	50	20	DDGD	
CCCC[C@@H](CCC)CNC(=O)NNC(=O)c1cnn(C)c1	128062047	STAQVDVZQRWMER-GFCCVEGCSA-N	309.414	1.971	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)COc2ccccc2CC)[nH]n1	126644757	YCBYWZABEKWQAW-UHFFFAOYSA-N	316.361	1.375	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(OC)c(Br)s1	121965968	XZFLBOHLHJGHRB-UHFFFAOYSA-N	323.168	1.910	50	20	DDGD	
C[C@](O)(CC(=O)NNC(=O)NCc1ccco1)c1ccccc1	182234400	GZKRPZUSNVGRTQ-INIZCTEOSA-N	317.345	1.408	50	20	DDGD	
CCCNC(=O)NNC(=O)CCc1cn(C)c2ccccc12	128149736	ASMCMBMGFAWWFC-UHFFFAOYSA-N	302.378	1.851	50	20	DDGD	
Cc1cccc(NC(=O)NNC(=O)Cc2ccccc2F)n1	124568357	VKWILSYWFDDRRY-UHFFFAOYSA-N	302.309	1.925	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)C1=Cc2ccccc2OCC1	186949376	LNYGJNSQQIOUAU-NSHDSACASA-N	324.402	1.807	50	20	DDGD	
Cc1cccc(C[C@H](CO)NC(=O)NNC(=O)C(C)(C)C)c1	188086602	RGVJMKZBUCNLLS-CYBMUJFWSA-N	307.394	1.275	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1ccc(F)cc1C	49124655	UQTRTPGZZIWPJU-UHFFFAOYSA-N	303.359	1.427	50	20	DDGD	
O=C(C[C@@H]1CCCO1)NNC(=O)c1ccc(Cl)cc1F	81029161	BFYYLDFYIVUWOI-VIFPVBQESA-N	300.717	1.809	50	20	DDGD	
COc1nccnc1NNC(=O)CCOCc1ccccc1	132045699	JBKBJZQFYMRGHM-UHFFFAOYSA-N	302.334	1.535	50	20	DDGD	
O=C(NNC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1	45127401	PASNAPDGKOLGED-UHFFFAOYSA-N	324.384	1.863	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C[C@@H]1CCCOC1	195324639	BRYIVGVXNJQWIB-LBPRGKRZSA-N	306.362	1.202	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNC(=O)NC1CCCCC1)C1CCCC1	193105051	YTQFHDAIQAHFSW-AWEZNQCLSA-N	324.425	1.344	50	20	DDGD	
O=C(NNC(=O)C(F)(F)C1(O)CCC1)c1ccc(Cl)nc1	136435938	QQCZNHNNNPJNPM-UHFFFAOYSA-N	319.695	1.046	50	20	DDGD	
Cc1cccc2c(CC(=O)NNC(=O)c3ccncc3)c[nH]c12	130554077	ZGHFMBXULLGGMN-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
COCc1ccccc1C(=O)NNc1nc2ccccc2c(=O)[nH]1	137144444	GCZPYEXTCBHYOG-UHFFFAOYSA-N	324.340	1.826	50	20	DDGD	
CO[C@H](C)CC(=O)NNC(=O)c1cc2ccccc2cc1O	195488864	JQAQJLVYJCPQTH-SNVBAGLBSA-N	302.330	1.731	50	20	DDGD	
Cc1ccc(C(=O)NNC(=S)NCCc2cccs2)n1C	143698511	ZKTYDUPWLFOJMI-UHFFFAOYSA-N	322.459	1.747	50	20	DDGD	
CC[C@@H](C(=O)NNc1cc(C#N)cc(Cl)n1)N1CCCC1=O	93545216	LGOLSLJLRUAIAI-JTQLQIEISA-N	321.768	1.451	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	250226778	GXVKWAVUVMENGA-BZPMIXESSA-N	317.455	1.194	50	20	DDGD	
CO[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccc(C#N)cc1	266622500	XRDCUWUZDXSOEI-ZIAGYGMSSA-N	316.361	1.460	50	20	DDGD	
COc1ccnc(NNC(=O)c2sccc2CN(C)C)n1	268004759	DZNKCTVAJILCML-UHFFFAOYSA-N	307.379	1.365	50	20	DDGD	
CNC(=O)NNC(=O)[C@H](C)Oc1ccccc1C(F)(F)F	263879214	PIUDOOGHRRCUDS-ZETCQYMHSA-N	305.256	1.433	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NCC[C@@H](C)OC)cc1	263775985	NUOFYCLOFDMQOT-GFCCVEGCSA-N	323.393	1.383	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)CNc1ccccc1OC	269542027	CGZHXRFQVZCUPZ-LBPRGKRZSA-N	311.407	1.396	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N(C)C[C@@H]1CCOC1	267622325	WQXBPVLTIGEIHD-NSHDSACASA-N	307.350	1.018	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNC(=O)COc1ccccc1OCC	269304835	LJJXTXIGBLIILT-MRXNPFEDSA-N	324.377	1.163	50	20	DDGD	
CCN1CCOC[C@@H]1C(=O)NNc1cccc(C(F)(F)F)c1	367256185	TVNYIHBCZOIXIS-GFCCVEGCSA-N	317.311	1.869	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCN(C)C2CC2)cc1	264921467	ZNEWDBKKGHEZKG-UHFFFAOYSA-N	304.394	1.287	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2	360388459	GUDJWDMYDVUJDH-VDQHWBOFSA-N	317.389	1.117	50	20	DDGD	
Cc1noc(C)c1NC(=O)NNC(=O)CCc1ccccc1O	273393076	LEYOGBLGWXGLMU-UHFFFAOYSA-N	318.333	1.783	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@H]1CCO[C@H](C)C1	271585750	ZAUDNZVMLNWERF-NEPJUHHUSA-N	321.377	1.454	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCCOC(C)C)cc1	273404819	ANWWECXTRSKSLM-UHFFFAOYSA-N	309.366	1.129	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)NCCSC)c(C)c1	271246011	IILHZWRODXSTMX-UHFFFAOYSA-N	313.448	1.476	50	20	DDGD	
COc1cccc(OC)c1S(=O)(=O)NCCSSC	284628422	KNOHLTKBUCDRSR-UHFFFAOYSA-N	323.461	1.993	50	20	DDGD	
CCn1ncc2cc(C(=O)NNC(=O)NC(C)C)c(C)nc21	281862516	PJTMRCRLTHOFAN-UHFFFAOYSA-N	304.354	1.112	50	20	DDGD	
Cc1cnn([C@H]2CCN(S(=O)(=O)CBr)C2)c1	289550860	OFNWKZSOAQVMBW-VIFPVBQESA-N	308.201	1.121	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)NC2CC2)c(C(F)(F)F)n1	280812583	TYXYRNQSEDZREP-UHFFFAOYSA-N	305.260	1.028	50	20	DDGD	
CSSCCNC(=O)C(=O)N1CCc2cc(F)ccc21	285304879	QMLSZMLNLLBBDG-UHFFFAOYSA-N	314.407	1.842	50	20	DDGD	
CSCCNC(=S)NNC(=O)Cc1ccc(Cl)s1	283246967	QACHGZJROLNVCR-UHFFFAOYSA-N	323.896	1.802	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)nn1	288105919	XJORRAOOZVHUQJ-IJLUTSLNSA-N	317.393	1.625	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)COc1cc(C)cc(C)c1)C1CC1	280090528	WNQDWXJUBXITNS-HNNXBMFYSA-N	306.362	1.255	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1csc(NC2CC2)n1	295280829	CQESZLVZEBZTDG-SNVBAGLBSA-N	310.379	1.048	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1	294144248	AQCSCZPQCFSNAI-DZGCQCFKSA-N	319.405	1.206	50	20	DDGD	
O=C(CN1CCC[C@@H](C2CC2)C1)NNC(=O)c1cccs1	808778317	RUPIWVAYDZNIKD-GFCCVEGCSA-N	307.419	1.631	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCCn2ccnc2)cc1	297436432	UHVZHLZEYMNTTB-UHFFFAOYSA-N	303.366	1.998	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NNc1cccc(F)n1	804868507	JOKFJSCKCAEACE-UHFFFAOYSA-N	303.297	1.500	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)[C@@H]1CCCO1)[C@H](C)c1ccccc1	293306129	IOORNEOWILGDJL-SCRDCRAPSA-N	305.378	1.688	50	20	DDGD	
CC(=O)C1(C(=O)NNC(=O)Cc2cccc3ccccc23)CC1	293043134	KZGNAIAWOIJHOD-UHFFFAOYSA-N	310.353	1.899	50	20	DDGD	
Cc1nn(C(C)C)c(C)c1CC(=O)NNC(=O)[C@@H]1CCCCO1	295360583	JFQMRTPFTKVYME-AWEZNQCLSA-N	322.409	1.340	50	20	DDGD	
COc1ccc2c(c1)[C@@H](C(=O)NNC(=O)[C@@H]1CCCCO1)CC2	295665023	WINZIHUNMUEIAI-ZFWWWQNUSA-N	318.373	1.442	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@@H](NCC(=O)NNC(=O)c2ccccc2)C1(C)C	296305022	ZZMHGTFTOXVXAC-KCPJHIHWSA-N	319.405	1.097	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc[nH]2)c(C)c1OC	804182957	IIWLOKBPRRBNIH-UHFFFAOYSA-N	303.318	1.415	50	20	DDGD	
Cc1cc(-n2c(C)cc(C(=O)NNC(=O)C3CC3)c2C)no1	296316851	GNWXNMMKXHYRHV-UHFFFAOYSA-N	302.334	1.562	50	20	DDGD	
C[C@@H]1CC(=O)N[C@H](C(=O)NNC(=O)c2cccc(Cl)c2)C1	292543048	BKXYSRNEJFWUAA-KWQFWETISA-N	309.753	1.016	50	20	DDGD	
N#Cc1csc(C(=O)NNc2ccc(-n3ccnc3)nn2)c1	804958121	KBLPKCMOWQAATG-UHFFFAOYSA-N	311.330	1.352	50	20	DDGD	
COCCCCC(=O)NNC(=O)Cn1cnc2ccccc21	299318821	GDYTWNYQWYKVRX-UHFFFAOYSA-N	304.350	1.000	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1C(=O)NNc1ncccc1F	804217572	BSIYCJJPUJPOGI-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
CCc1c(C(=O)NNC(=O)[C@H]2CCCCO2)cnn1C(C)(C)C	295759963	PWFVMRKXZNCQGY-CYBMUJFWSA-N	322.409	1.531	50	20	DDGD	
CN(C)c1cc(NC(=O)NNc2ccccc2[N+](=O)[O-])ncn1	810219961	YUWYMIXLBUEJLV-UHFFFAOYSA-N	317.309	1.599	50	20	DDGD	
CC(=NNC(=O)N=c1cc[nH]cc1)c1ccccc1-n1ccnn1	815003693	GHGAQIGIIAJDJX-UHFFFAOYSA-N	321.344	1.630	50	20	DDGD	
CC(C)(C#N)[C@@H]1CCCC1=NNC(=O)[C@H]1CCS(=O)(=O)C1	814782077	RAKYOGSPQGSDBR-WDEREUQCSA-N	311.407	1.243	50	20	DDGD	
O=C(Cc1ncc[nH]1)NNC(=O)CC12CC3CC(CC(C3)C1)C2	816804741	FSNQISVFZKWOBY-UHFFFAOYSA-N	316.405	1.706	50	20	DDGD	
COC(=O)c1ccc(O)c(C=NNC(=O)N=c2cc[nH]cc2)c1	815000317	JQMCKUACBGMUTP-UHFFFAOYSA-N	314.301	1.151	50	20	DDGD	
Cc1nc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)c(C)o1	814502314	VFHJYBXCESOZTQ-SECBINFHSA-N	311.338	1.030	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)cc1	810388495	XWZZADOTABSVMT-UHFFFAOYSA-N	323.287	1.651	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1c(Cl)cncc1Cl	814207750	WSWDONMFTDDTIP-UHFFFAOYSA-N	305.190	1.683	50	20	DDGD	
CO[C@@H]1CCC[C@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	814359038	XKOUWYQHBPQJOY-WCQYABFASA-N	321.333	1.561	50	20	DDGD	
CCn1cc(NC(=S)NNC(=O)NCc2ccco2)cn1	726132217	XCPGCFXERMZANK-UHFFFAOYSA-N	308.367	1.197	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)CCc1cccs1	726076937	JGNZMPZCXCOVCN-UHFFFAOYSA-N	315.464	1.555	50	20	DDGD	
CO[C@@H](Cc1ccccc1)C(=O)NNC(=O)CC(F)(F)F	825505685	QHYFOMNARJWZBP-JTQLQIEISA-N	304.268	1.344	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@H](CO)CC2CCCCC2)cn1	491080666	DPIPDMLAZYLXDZ-NHKNYXOTSA-N	316.405	1.775	50	20	DDGD	
CN(C)c1ccnc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1	825883675	JYDRHAXDXVHJJM-UHFFFAOYSA-N	324.348	1.085	50	20	DDGD	
CCN(CCO)NC(=O)c1cnc(S)n1-c1ccc(F)cc1	823846916	OURXQYWZNLMCJH-UHFFFAOYSA-N	324.381	1.259	50	20	DDGD	
O=C(CC1CCN(CC(F)(F)F)CC1)NNc1ccncn1	823279047	FYXSCACSHVXNOS-UHFFFAOYSA-N	317.315	1.584	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cccc(OCCCC#N)c1	726737099	IJHYYIYCBYCZFD-UHFFFAOYSA-N	316.361	1.344	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)Cc2cccnc2)cc1	728799357	RFNLKAFCZDTAMB-UHFFFAOYSA-N	316.386	1.651	50	20	DDGD	
CC(C)[C@H](CO)[C@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(C)C	490974251	MWSAUYZIKAVPLA-ILYXUJSMSA-N	318.421	1.732	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1ccc(-c2nn[nH]n2)cc1	823280798	GIWGCTWTLSRZSF-UHFFFAOYSA-N	315.724	1.094	50	20	DDGD	
OB(O)c1ccccc1CNCCOCc1ccc(Cl)cc1	585031358	DJZGCONYZGQUAP-UHFFFAOYSA-N	319.597	1.326	50	20	DDGD	
Cc1c(C(=O)NN(C)[C@@H](C)CO)[nH]c2c1C(=O)CC(C)(C)C2	823982548	AJKFOSDNWNOICF-VIFPVBQESA-N	307.394	1.436	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C	496282002	IFRUCVIBDPQUKL-UHFFFAOYSA-N	317.323	1.103	50	20	DDGD	
C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cccc(B(O)O)c1	584989380	COVRLRWIVJDDIM-GXTWGEPZSA-N	303.211	1.653	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)cc1)c1nc2c(s1)CCCC2	585025529	WKVDVSAAFZXUGE-NSHDSACASA-N	316.235	1.553	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@@H]1CO[C@@H](C)C1)c1ccccc1	827612915	QWLXARBKUQDRBH-UBHSHLNASA-N	305.378	1.688	50	20	DDGD	
C[C@H](NCc1cccc(B(O)O)c1)[C@H]1OCCc2sccc21	585044108	ZTEVBOSQLIZDFL-MEDUHNTESA-N	317.219	1.220	50	20	DDGD	
CSSCCNC(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F	822783566	KOISLEXASZWNJO-NKWVEPMBSA-N	316.370	1.428	50	20	DDGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2cn(C)nn2)cc1	490692987	IASRCUULNGXKSO-LFTLCWSBSA-N	311.345	1.608	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2cnn(C3CCC3)c2)ccn1	901185514	PPPREKWMIQQPIJ-UHFFFAOYSA-N	312.377	1.833	50	20	DDGD	
C[C@H](CNCc1ccc(B(O)O)cc1F)c1ccc(F)cc1	585021586	BKAJHVIYWBTHBB-LLVKDONJSA-N	305.133	1.538	50	20	DDGD	
CCOC(=O)[C@@H]1CCCN(CC(=O)NNc2cccc(F)c2)C1	901162331	ISGDRCFRAMLPQB-GFCCVEGCSA-N	323.368	1.544	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NC[C@H]2CCC=CO2)cc1	836414959	XQYRLCTUWYSGIM-CYBMUJFWSA-N	320.349	1.724	50	20	DDGD	
CCS(=O)(=O)CC(C)=NNC(=O)CCCc1ccccc1	733747896	WUNQQETZDBJNGU-UHFFFAOYSA-N	310.419	1.936	50	20	DDGD	
CCOCC(=O)NN[C@H](C(=O)OC)c1cccc(Cl)c1	735506658	JQDZJTLXPINODW-LBPRGKRZSA-N	300.742	1.211	50	20	DDGD	
CSSCCNC(=O)N1CC[S@@](=O)C(C)(C)CC1	838589091	YPKHQNHIIFXRPA-GOSISDBHSA-N	310.510	1.940	50	20	DDGD	
O=C(NNc1c(F)cccc1F)c1ccc2c(c1)C(=O)NC2=O	735694159	HLAULXYRHAAUBI-UHFFFAOYSA-N	317.251	1.605	50	20	DDGD	
C[C@@]1(C(=O)OCC(=O)NNC(=O)c2cccs2)CC=CCC1	838186021	XSGVOUUYGSTLJE-OAHLLOKOSA-N	322.386	1.799	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCO[C@H](c3cccs3)C2)o1	585044331	FNRFVJRSSQZCQW-PWSUYJOCSA-N	307.180	1.031	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(C)cc1C	831763123	CPFYJXYWHQZFFQ-RYUDHWBXSA-N	321.377	1.890	50	20	DDGD	
OB(O)[C@H]1CCN(Cc2c(Cl)cccc2N2CCOCC2)C1	585075904	KAGJPYDRCMPEOW-LBPRGKRZSA-N	324.617	1.225	50	20	DDGD	
O=C(NN=Cc1cc2cc(Cl)cnc2o1)C(=O)N1CCCC1	834950693	NGJFNBGFWUTRRZ-UHFFFAOYSA-N	320.736	1.554	50	20	DDGD	
O=C(CCc1ccco1)NN[C@H](C(=O)O)c1ccccc1F	833103594	VLHCJUONCXHFJC-AWEZNQCLSA-N	306.293	1.798	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2CCCC(=O)N2C)c1	905102921	FBHZTODMYWGYRA-GFCCVEGCSA-N	320.418	1.324	50	20	DDGD	
CC[C@H](CNCc1ccc(B(O)O)o1)Oc1cccc(Cl)c1	585031193	STPNZTVEGRUWHC-GFCCVEGCSA-N	323.585	1.560	50	20	DDGD	
CS(=O)(=O)Nc1ccc(NC(=O)NNC(=O)O)cc1Cl	738163453	FCIUBOMRBDOOEU-UHFFFAOYSA-N	322.730	1.016	50	20	DDGD	
CC(C)CN1C[C@@H](C(=O)NNc2nccnc2Cl)CC1=O	734259856	DFAYVPYLCVTJMN-VIFPVBQESA-N	311.773	1.078	50	20	DDGD	
CCCCN(C)C[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCCCO1	836461309	BYZYMRPETTUKBA-OLZOCXBDSA-N	314.430	1.006	50	20	DDGD	
C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NNC(=O)C(C)(C)C	917182622	MNBYKUKEKSPYAC-NSHDSACASA-N	315.373	1.695	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)c1cncc(O)c1	732259578	IAKQHZUOUYKBIQ-UHFFFAOYSA-N	303.343	1.412	50	20	DDGD	
Cc1sc(Cl)nc1C(=O)NNC(=O)[C@@H]1CCCCO1	833242906	PVSHDAVMKRIQLO-ZETCQYMHSA-N	303.771	1.435	50	20	DDGD	
COCC1(C(=O)NNC(=O)COCc2ccccc2)CCCC1	837432372	YELOMYVWRHAPJP-UHFFFAOYSA-N	320.389	1.557	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CCO[C@H](C)C2)cc1F	837057499	FSYHGJOISDYVBW-ZJUUUORDSA-N	310.325	1.871	50	20	DDGD	
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1C[C@H]2CC[C@H]1O2	834961832	KELWUACCDXTTFK-UHIISALHSA-N	319.317	1.974	50	20	DDGD	
CN(C)N(C(=O)C1=CCC(C)(C)CC1)[C@@H]1CCS(=O)(=O)C1	836789105	HHESOXGRBRONEE-CYBMUJFWSA-N	314.451	1.615	50	20	DDGD	
CCCCn1cc(S(=O)(=O)NCCCSC#N)c(C)n1	917007332	LCRWVNHDLLKGCS-UHFFFAOYSA-N	316.452	1.874	50	20	DDGD	
COCCn1cc(C=NNC(=O)c2cccc(N(C)C)c2)cn1	743426998	ZRGBXNBXVDUNBO-UHFFFAOYSA-N	315.377	1.359	50	20	DDGD	
NC(=O)C(=O)NN=Cc1csc(-c2ccc(Cl)cc2)n1	916273850	CNWWZBVDVPJIMS-UHFFFAOYSA-N	308.750	1.399	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCCC1CCNCC1	846210582	OFMWWYWJYLBTJR-UHFFFAOYSA-N	322.384	1.088	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](C)[C@H]1CCCNC1	841927996	QBQMOLXGLNODOB-OLZOCXBDSA-N	304.394	1.327	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@H]2CCCS2)c1	743295418	LDNDONFYJYJTPX-GFCCVEGCSA-N	309.391	1.150	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C[C@@H](CC#N)c1ccccc1	843654205	HFWFBWRQDJSJPS-NWANDNLSSA-N	315.373	1.646	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)O)[nH]1)c1ccc2c(c1)OCCO2	749809956	MSILOTOQCNMZMM-UHFFFAOYSA-N	315.285	1.248	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)n1ccnc1[C@H](O)C1CCCCC1	849948184	NGMVEKNLPVWNCC-SMDDNHRTSA-N	322.409	1.615	50	20	DDGD	
N#CSCCCNS(=O)(=O)Cc1cc(C#N)ccc1F	916985868	VOBXRYBDNKPKRC-UHFFFAOYSA-N	313.379	1.721	50	20	DDGD	
Cn1ncc2cc(C(=O)NNc3cnnc4ccccc34)cnc21	747518648	PHPWLUIJMZYYGM-UHFFFAOYSA-N	319.328	1.668	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)N[C@H]1CCN2CCC[C@H]2C1	916573771	PENMNEHQNWKPRP-AAEUAGOBSA-N	319.365	1.848	50	20	DDGD	
CC(C)c1ccc(OCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	843647061	MFXXLFUXFRSETK-SWLSCSKDSA-N	320.389	1.761	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)[C@@H](F)C(F)(F)F	848322310	WXKIBCYEOHVKRT-SCSAIBSYSA-N	317.040	1.583	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccc(C#N)s1	749530130	NJLPWMKOTUNTCI-UHFFFAOYSA-N	315.354	1.632	50	20	DDGD	
CSc1cc(NC(=O)NNC(=O)CN(C)C)ccc1Cl	841738916	WCQWWKDREZPESU-UHFFFAOYSA-N	316.814	1.776	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)[C@H]1C[C@H]2C=C[C@H]1CC2	842527157	JRSOALMTZVGATD-GMXVVIOVSA-N	316.361	1.525	50	20	DDGD	
CCC[C@@H](CC)S(=O)(=O)NNC(=O)c1ccc(C)cc1O	844649947	OMOGWQCVAYZFEQ-LLVKDONJSA-N	314.407	1.844	50	20	DDGD	
CCO[C@@H](C)c1ncc(C(=O)NNc2nccc(OC)n2)s1	742528822	CZKVKWCBTSBMLU-QMMMGPOBSA-N	323.378	1.796	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cc(O)nc3ccccc23)n1	740104746	RBPUFWZVFZAUQL-UHFFFAOYSA-N	324.344	1.553	50	20	DDGD	
Cc1c(C(=O)N(C)CC(Cl)Cl)nnn1-c1ccn(C)n1	848083778	NPUMNPWDUJNTMW-UHFFFAOYSA-N	317.180	1.185	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(NC(=O)NN(C)C)c1	843871421	LJRGWFTWMMCVMN-KGLIPLIRSA-N	318.377	1.814	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNc2nc(C)cc(OC)n2)c1	746633303	RGPNNMUTIIPLBS-UHFFFAOYSA-N	316.317	1.337	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNc1ncc(Br)cn1	847323456	NHEVSDVOWGXMSJ-QMMMGPOBSA-N	318.175	1.290	50	20	DDGD	
C[C@]1(c2ccccc2)C[C@H]1NC(=O)NNC(=O)Cc1cccnc1	743589029	OIOPXGWDSWBEOA-CRAIPNDOSA-N	324.384	1.685	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2cc3c(s2)CCC3)c2ncnn21	841611247	YZHOARVOPXBAMO-MRVPVSSYSA-N	301.375	1.927	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C[C@@H](C)OC)cc1	749468993	ILLPZMUEIDFHLQ-VXGBXAGGSA-N	324.377	1.425	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)C(C)(C)CO	847305313	HDOWUKORYIOADG-UHFFFAOYSA-N	300.742	1.128	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)COc2ccccc2O)[C@H]1OC	841641495	WNNLEYCNNNSFEO-UKRRQHHQSA-N	308.334	1.067	50	20	DDGD	
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)o1	843640692	DLAOJEVQOPNQBH-RFHZTLPTSA-N	320.389	1.908	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	841375455	KPXQDCFOYFKDAI-OAHLLOKOSA-N	317.389	1.919	50	20	DDGD	
CCN1C[C@@H](CNC(=O)NNc2cccc([N+](=O)[O-])c2)CC1=O	845491044	CFOAACYZOKWXGM-SNVBAGLBSA-N	321.337	1.089	50	20	DDGD	
CC(=O)Nc1ccc(C)c(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	843653438	CAVIEYAFVGUYDK-GXFFZTMASA-N	319.361	1.139	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@H]2C[C@@H]2C2CC2)cc1OC	751299739	LZTOUNNCGBTSPN-OLZOCXBDSA-N	318.373	1.901	50	20	DDGD	
COC(=O)N(C)NC(=O)Cc1ccc(Br)cc1F	854409611	JUIQYNUMWAGGGW-UHFFFAOYSA-N	319.130	1.860	50	20	DDGD	
O=C(NNc1ncccc1Cl)c1cccn2c(O)nnc12	758162445	DJPMBCKMEFSOEV-UHFFFAOYSA-N	304.697	1.240	50	20	DDGD	
CO[C@@H]1COC[C@@H]1NC(=O)NNc1ccc(F)cc1Cl	922860828	PIPYWRMCDGYMAY-WDEREUQCSA-N	303.721	1.519	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)c2cccc(Cl)n2)CCC1=O	857323084	AOBUPDYLBUZJGG-DTWKUNHWSA-N	309.753	1.501	50	20	DDGD	
COc1cccc(CC(=NNC(=O)C(=O)NC(C)C)C2CC2)c1	752721755	YFSXTVSGSLLRQM-UHFFFAOYSA-N	317.389	1.645	50	20	DDGD	
COc1ccc(F)cc1NC(=O)NNC(=O)CC(F)(F)F	757854158	FSDFSJWGHZAANX-UHFFFAOYSA-N	309.219	1.939	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1cnn(-c2ccccc2)n1	755324675	MWUZWUGFMICYNY-UHFFFAOYSA-N	322.328	1.349	50	20	DDGD	
Cc1cnccc1CCNC(=O)NNC(=O)c1ccccc1C	755095290	CYQLFJLZCQNALR-UHFFFAOYSA-N	312.373	1.885	50	20	DDGD	
CCOC(=O)N[C@H](C(=O)NNc1ccnc(Cl)c1)C(C)C	855469075	SDLVGYUKSLXEFS-NSHDSACASA-N	314.773	1.949	50	20	DDGD	
CCc1nc(CNC(=O)NNc2cc(F)cc(Cl)c2)n[nH]1	854095552	XQEHAIDSZCHZSH-UHFFFAOYSA-N	312.736	1.986	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCCSC(C)(C)C	753970057	HLSPVZUBMHJMLJ-UHFFFAOYSA-N	305.444	1.665	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C(C)=C(C)C	751114148	MAMOBJGRVGSKNG-UHFFFAOYSA-N	306.362	1.968	50	20	DDGD	
C[C@H]1CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)[C@@H]1C	752318727	OTBPQFHLQZNUIQ-NWDGAFQWSA-N	300.362	1.050	50	20	DDGD	
CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1	920382563	ZGEPMWKSWKODQR-LBPRGKRZSA-N	313.354	1.036	50	20	DDGD	
CN(CCOc1ccccc1)C(=O)NNC(=O)C1CCCC1	753334771	JKRSJTBOAMZIKY-UHFFFAOYSA-N	305.378	1.928	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)C[C@](C)(O)C2CC2)cc1	755413899	ZGGBXUYZIOTRFG-INIZCTEOSA-N	322.430	1.786	50	20	DDGD	
Cc1nc(CCC(=O)NNC(=S)N[C@@H](C)C2CC2)cs1	751620903	YYLUSIVLEGHLOL-QMMMGPOBSA-N	312.464	1.678	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@@H](CO)CC2)C[C@H]1Br	856958903	PJVSMJLESHSTNT-NQBHXWOUSA-N	319.243	1.964	50	20	DDGD	
O=C(CCOCC(F)F)NNc1ccc([N+](=O)[O-])cc1F	855626465	GMEHQLDWHDUAEO-UHFFFAOYSA-N	307.228	1.849	50	20	DDGD	
CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)NNc1cccnn1	852691659	JWYFCDIHMGXLBO-QMTHXVAHSA-N	307.354	1.225	50	20	DDGD	
CN(C[C@@H]1CCCN1C)C(=O)NC[C@@]1(C)C[C@H]1Br	856894688	WKHYHZXJBYFGQJ-DMDPSCGWSA-N	318.259	1.896	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)c1cc2ccccc2cc1O	755677636	LPDIXDKQWISCPS-LLVKDONJSA-N	316.357	1.979	50	20	DDGD	
Cc1n[nH]c(C)c1CCC(=O)NNC(=S)N[C@H](C)C1CC1	855099124	RRGSGYQXHUTHLV-MRVPVSSYSA-N	309.439	1.253	50	20	DDGD	
CO[C@@]1(C)C[C@H]1NC(=O)NNC(=O)Cc1ccc(Cl)cc1	852688013	QEBZEQDVKMQQOU-RISCZKNCSA-N	311.769	1.390	50	20	DDGD	
O=C(C[C@@H]1C=CS(=O)(=O)C1)NNc1cc(F)cc(Cl)c1	855619426	LLAAJIAKLOMRPA-QMMMGPOBSA-N	318.757	1.871	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C1SCCCS1	854286174	MWFUXSWEAXZAHJ-UHFFFAOYSA-N	323.509	1.057	50	20	DDGD	
O=C(C[C@H]1CCCS(=O)(=O)C1)NNc1ccc(Cl)cn1	856092460	WGCJOKRECNPEPY-SECBINFHSA-N	317.798	1.393	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(F)c(C(=O)NNC(=O)C(C)C)c1F	854213736	ATQXUCIKSOQTJA-UHFFFAOYSA-N	301.249	1.598	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CN2C[C@H](C)[C@@H](C)C2)cc1C	752300294	BOXSUMXLDUAJEP-RYUDHWBXSA-N	323.462	1.968	50	20	DDGD	
C[C@]1(CNC(=O)C(F)(F)C2(O)CCC2)C[C@@H]1Br	857394035	OJVBQAXSDJMMNQ-IONNQARKSA-N	312.154	1.826	50	20	DDGD	
C[C@H](N)CCNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	857114747	VTAXELZDGBYZIV-HXTFMFRQSA-N	308.426	1.271	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1cc(Br)no1	854705913	YPFQAOYQCLTOGZ-SREVYHEPSA-N	300.112	1.497	50	20	DDGD	
O=C(NN=Cc1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1	755621881	UKUJAFCSTMVPDR-SECBINFHSA-N	318.757	1.364	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCNC1=O)Nc1ccc(Cl)cc1	868118979	GAETVGKESFYNGL-JTQLQIEISA-N	310.741	1.019	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccc(F)c1	864491080	PXNZJXPJFWRMTF-OCCSQVGLSA-N	321.352	1.149	50	20	DDGD	
Cc1ccc2c(c1)OCCCC2=NNC(=O)N1CCOCC1	763163899	ROHBNVPBYYIGKY-UHFFFAOYSA-N	303.362	1.914	50	20	DDGD	
CN(CC(=O)N1CCCC1)S(=O)(=O)CC(C)(C)CCl	866436297	TYNTUNWDBBYBAG-UHFFFAOYSA-N	310.847	1.135	50	20	DDGD	
CN1CCC(=NNC(=O)CSc2ccc(Cl)cc2)C1=O	761748111	ANOKFIVVIQFODK-UHFFFAOYSA-N	311.794	1.766	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(C)c2cccnc12	930733407	RXYQCUHRVTYTKM-UHFFFAOYSA-N	316.361	1.524	50	20	DDGD	
Cc1cc(NNC(=O)C2=Cc3cc(F)ccc3OC2)ncn1	762251856	CEKIEDIHPVKCTO-UHFFFAOYSA-N	300.293	1.843	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CCNC(=O)C(C)(C)C)c1	862475791	XOPUSHRLEOCQTL-UHFFFAOYSA-N	311.407	1.370	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccnn2CC2CCC2)cc1	865053514	LSNIWUGTBMSCGP-UHFFFAOYSA-N	323.356	1.630	50	20	DDGD	
COCCOCc1ccc(NC(=O)NNC(=O)C2CC2)cc1	861568596	WRMLFTZYOMGMOU-UHFFFAOYSA-N	307.350	1.412	50	20	DDGD	
CN(C)c1ccccc1NC(=O)C(=O)NNC(=O)C1CCCC1	764076408	CZTNJNVFBQLQEA-UHFFFAOYSA-N	318.377	1.029	50	20	DDGD	
O=C(CNC(=O)c1ccccc1)NNc1nc2ccccc2[nH]1	768494437	HCCWSLDHLVCSIT-UHFFFAOYSA-N	309.329	1.436	50	20	DDGD	
COc1ccc2c(c1)OC[C@H]2CC(=O)NNC(=O)C(C)(C)C	760368033	MFBFOBDMWUBBMO-SNVBAGLBSA-N	306.362	1.755	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H]2CCOC[C@H]2O)cc1	863364357	LGFCKEDWMSLTOI-WTEYMAAXSA-N	316.357	1.258	50	20	DDGD	
CCOc1nccc(C)c1C(=O)NNC(=O)c1cccc(C#N)c1	764823077	LPMHYJUUDNVIIQ-UHFFFAOYSA-N	324.340	1.735	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC[C@@](O)(c2ccccc2)C1	862804937	XEJWJCMDSYOFFO-AINHQSCGSA-N	300.358	1.941	50	20	DDGD	
CCNC(=O)NNC(=O)C(F)(F)c1cnc(Cl)c(C)c1	930731511	CFWXGGXZBMMFCY-UHFFFAOYSA-N	306.700	1.486	50	20	DDGD	
N#Cc1ccc(NCC(=O)NNc2nc3ccccc3[nH]2)cc1	768502828	BGWWFGOZVIVUCV-UHFFFAOYSA-N	306.329	1.990	50	20	DDGD	
CN(C)C1(C(=O)NNc2nc(-c3cccnc3)no2)CCC1	763045672	WQSCJEYLNIWYMX-UHFFFAOYSA-N	302.338	1.059	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H]2CC(=O)NN=c1cc[nH]c(C)c1	862513671	JHNAVJQAYMBBGT-LBPRGKRZSA-N	313.357	1.830	50	20	DDGD	
COC(OC)c1ccc(C(=O)NNC(=O)c2ccccn2)o1	769675924	HURYZULBKBEJMC-UHFFFAOYSA-N	305.290	1.041	50	20	DDGD	
CC(C)(C)OCCCc1nc(-c2cccc(B(O)O)c2)no1	867055587	JNHBETOPQJSSII-UHFFFAOYSA-N	304.155	1.164	50	20	DDGD	
O=C(/C=C\C1CCOCC1)NNC(=S)Nc1ccccn1	768578263	FLUCALBNNQWVLV-PLNGDYQASA-N	306.391	1.382	50	20	DDGD	
COc1ncc(Br)cc1C=NNC(=O)C(C)C	872333708	XVBLMQMOVZYMIR-UHFFFAOYSA-N	300.156	1.959	50	20	DDGD	
C[C@@H](C(=O)NNc1nc2ccccc2[nH]1)N1CCSCC1	768511741	DIKGBJBLIUYUPX-JTQLQIEISA-N	305.407	1.443	50	20	DDGD	
CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)CCl)cc1	1116437610	JUVAITBAWZVWBA-VIFPVBQESA-N	312.753	1.545	50	20	DDGD	
O=C(CSc1ncco1)NNC(=O)c1cccc([N+](=O)[O-])c1	772247348	NVVDGSZXKPDULJ-UHFFFAOYSA-N	322.302	1.136	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cccc(NC(=O)C2CC2)c1	878145150	HOTFTYOWZKSCFN-UHFFFAOYSA-N	306.322	1.770	50	20	DDGD	
COc1ccc(OCC(=O)NN=C(C)c2cn(C)cn2)cc1	872329813	ZBMDAFNUHGRCTK-UHFFFAOYSA-N	302.334	1.348	50	20	DDGD	
Cc1nn(C(C)C)cc1C(=O)NNC(=S)Nc1ccccn1	874957517	NELKSRLLTOCPPL-UHFFFAOYSA-N	318.406	1.799	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2ccc(F)nc2)n1	777421618	YPCZOAVPDHOTFQ-UHFFFAOYSA-N	319.365	1.870	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccccc1-n1nccc1C	879179993	FGALKMUESGOIES-UHFFFAOYSA-N	303.366	1.795	50	20	DDGD	
O=C(COC(=O)[C@@H]1[C@H]2CCC[C@H]21)NNC(=O)c1ccccc1	776702840	NTDLDVUZXZNXLI-IMRBUKKESA-N	302.330	1.037	50	20	DDGD	
O=C(NNC(=O)C1(F)CCCC1)c1ccc2c(c1)OCCO2	771881066	KLKCFDXARMLCBY-UHFFFAOYSA-N	308.309	1.501	50	20	DDGD	
O=C(NN=Cc1ncc(C2OCCO2)s1)c1ccccn1	772990434	MWEUGXVFMYFKNW-UHFFFAOYSA-N	304.331	1.347	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NN=Cc1ccnn1C	773104006	PBFKGWVMXJWDSN-SNVBAGLBSA-N	306.753	1.991	50	20	DDGD	
NC(=O)COc1ccc(NC(=O)NCC(Cl)Cl)cc1	878225852	NECWYTKYOZWTNL-UHFFFAOYSA-N	306.149	1.476	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc(-c2ncn(C)n2)c1	879148147	MITJTICFEDTYDJ-UHFFFAOYSA-N	304.354	1.097	50	20	DDGD	
CC[C@@H](OC1CCCCC1)C(=O)NNC(=O)C1CCOCC1	883066176	NQEXHMIENWSBEH-CQSZACIVSA-N	312.410	1.688	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)NC[C@@]1(C)C[C@@H]1Br)C(N)=O	889411722	ZMZCENUESZPRTK-PHGLEFOZSA-N	320.231	1.359	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(C)c(N2CCCC2)c1	881002787	IFDKBCKKKTTYGQ-UHFFFAOYSA-N	306.366	1.394	50	20	DDGD	
CNC(=O)COc1cccc(OS(=O)(=O)CCCCl)c1	882032075	BDLJNEIHLVOOBO-UHFFFAOYSA-N	321.782	1.149	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C2CCOCC2)cnc2ccccc12	883064911	SLKLXLHZQSRAHT-UHFFFAOYSA-N	313.357	1.731	50	20	DDGD	
C[C@@H]1COCCN1C1CCN(S(=O)(=O)CCCCl)CC1	882364058	LEXFJCHIEXDSOZ-GFCCVEGCSA-N	324.874	1.130	50	20	DDGD	
C[C@@H](CCCC(F)(F)F)NC(=O)NNC(=O)c1cccnn1	883603078	JWFYYOCMOYMWTD-QMMMGPOBSA-N	319.287	1.542	50	20	DDGD	
CC(C)n1cc(C(=O)NNC(=O)c2ccc(Cl)cc2O)cn1	787996512	WGMUCACFVABZJF-UHFFFAOYSA-N	322.752	1.898	50	20	DDGD	
CC(=O)Nc1ccc(C(C)=NNC(=O)CN2CCCC2=O)cc1	781586738	XXHCLEUHANCQLW-UHFFFAOYSA-N	316.361	1.108	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1ccn(-c2ccccc2)n1	784796286	JYLCLEMWSSXJSX-UHFFFAOYSA-N	322.328	1.349	50	20	DDGD	
COC(=O)CNC(=O)NN=C/C(C)=C\c1cccc([N+](=O)[O-])c1	787161789	GJELJAUWNVMUKF-QGNZFGQUSA-N	320.305	1.456	50	20	DDGD	
CN1CCCC[C@@H](CNC(=O)NNc2cncc(Cl)n2)C1	897546403	ZTLPTOPRNSZJCG-JTQLQIEISA-N	312.805	1.488	50	20	DDGD	
CCCN1CCN(S(=O)(=O)CCCCCl)C(C)(C)C1=O	780853173	CZLUIDWESGTYNJ-UHFFFAOYSA-N	324.874	1.668	50	20	DDGD	
Cc1cnc2c(cnn2CC(=O)NN[C@H](C)C(F)(F)F)c1	899146677	UKCWESHERMLBBT-MRVPVSSYSA-N	301.272	1.311	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@H]1CC[C@H](CN)CC1	892442393	WSWROKLRBIHZKA-CTYIDZIISA-N	318.421	1.385	50	20	DDGD	
Cc1cc(C)n(CCCC(=O)NNC(=O)c2ccccc2O)n1	891810242	ROKNECIUGWQFLH-UHFFFAOYSA-N	316.361	1.447	50	20	DDGD	
O=C(NNc1ccccn1)c1nn(-c2cccc(F)c2)cc1O	786528272	YOXJTVRSEHLTDJ-UHFFFAOYSA-N	313.292	1.869	50	20	DDGD	
O=C(CC(F)(F)F)NN=Cc1ccc2c(c1)NC(=O)CO2	788714369	HNRVEXZUNSLLAN-UHFFFAOYSA-N	301.224	1.420	50	20	DDGD	
CC(C)(C)CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)C1CC1	787151334	BBSQFIFLBCVGJL-NSHDSACASA-N	300.424	1.740	50	20	DDGD	
CCCCN(C)CCNC(=O)NNc1cccc(C(=O)OC)c1	780828388	MRBYPJUHIIOZAE-UHFFFAOYSA-N	322.409	1.831	50	20	DDGD	
O=C(CNc1ccccc1Cl)NNc1nc2ccccn2n1	791244477	YAVLJRIZLLYXDG-UHFFFAOYSA-N	316.752	1.938	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ncccc1Oc1ccccc1	799591395	LQGWHINOGUCMSG-UHFFFAOYSA-N	300.318	1.790	50	20	DDGD	
CSSCCNC(=O)c1cnc2sccn2c1=O	791099173	DIDDRZDMXQDHMK-UHFFFAOYSA-N	301.418	1.497	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1CCSc2ccccc21	798305524	SUSLRIFCMJWHCV-NSHDSACASA-N	307.444	1.947	50	20	DDGD	
Cc1cc(=NNC(=O)NCc2cccc3c2OCCO3)cc[nH]1	899086609	SLJIMLMRYIKLSE-UHFFFAOYSA-N	314.345	1.409	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc(C)cc1)CC1CCC1	796534397	SHYTXLQWJOMDQM-UHFFFAOYSA-N	303.406	1.878	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCCCC1)c1ccnc(O)c1	790288510	SIOCHCATDVTZFY-LBPRGKRZSA-N	304.394	1.749	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCOCc2ccccc21	791576951	YGVVVVDUVIBQTR-ZDUSSCGKSA-N	319.405	1.605	50	20	DDGD	
CO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(C)n2)C1(C)C	792979750	MGSOTPSTTJUKIN-VXGBXAGGSA-N	306.366	1.148	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])nc1	790589447	ZGHSLCUPDULZRY-UHFFFAOYSA-N	301.237	1.757	50	20	DDGD	
CSc1cccc(F)c1C(=O)NNC(=O)Cc1cccnc1	798428495	DCKNMTZAWXKHAM-UHFFFAOYSA-N	319.361	1.946	50	20	DDGD	
CO[C@@]1(C)CCCN([C@H](C)C(=O)NNC(=O)CC(C)C)CC1	796507840	FQTHYONECHLGBR-CJNGLKHVSA-N	313.442	1.459	50	20	DDGD	
C#CCC[C@H](O)CNS(=O)(=O)c1ccc(CCl)cc1	717913204	PYOIKONDAWGIRP-LBPRGKRZSA-N	301.795	1.478	50	20	DDGD	
O=C(NN=Cc1cc(F)c(O)c(F)c1)c1ccc(O)c(O)c1	794556781	GWYNRRUGWAHQPZ-UHFFFAOYSA-N	308.240	1.846	50	20	DDGD	
C[C@H]1CCCC[C@@H]1NC(=S)NNC(=O)C[n+]1ccccc1	1318442631	VHNKOKJBSISAMM-STQMWFEESA-O	307.443	1.048	50	20	DDGD	
CCC[C@H](C)NC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1329505836	JMEPSLWAEADTMG-AUTRQRHGSA-N	305.216	1.581	50	20	DDGD	
C=C[C@H](COC)NC(=O)NNC(=O)c1c[nH]c2ccccc12	1325616318	UXUKRVKNUXUBFO-SNVBAGLBSA-N	302.334	1.313	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1	1325309873	BIWYNZBNDBVZMA-FPMFFAJLSA-N	308.426	1.285	50	20	DDGD	
Cc1nc(N(C)C)sc1C(=O)NNc1nc2ccccn2n1	1326267572	JVWSXEFGHROBDR-UHFFFAOYSA-N	317.378	1.317	50	20	DDGD	
COc1ccc(NNC(=O)c2ncoc2[C@@H]2CCCO2)nc1	1321570601	NVSNLPIVKUQZFQ-JTQLQIEISA-N	304.306	1.687	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(C)(C)Oc1ccccc1	1328550177	BSLMCXFWFFGDOF-WCQYABFASA-N	306.362	1.416	50	20	DDGD	
CO[C@](C)(CNC(=O)NNc1nncc(N)c1Cl)C1CC1	1324054112	OWLHJTUQDSYHOK-GFCCVEGCSA-N	314.777	1.153	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H](CO)C2CCCC2)c1	1328731209	KDBZWKMWGPYGFX-NSHDSACASA-N	311.407	1.552	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc2ccccc2n1CC	1322555179	KTNZPOSKTKUGAI-UHFFFAOYSA-N	302.403	1.956	50	20	DDGD	
CC1CCN(CCC(=O)NN=C2C[C@H](C)N(C3CC3)C2)CC1	1331678544	ANGIIFILZZQDGD-AWEZNQCLSA-N	306.454	1.837	50	20	DDGD	
O=C(CO[C@@H]1CCOC1)NNc1ccc(Br)nc1	1330804752	AUZRVLULYGMIOY-SECBINFHSA-N	316.155	1.093	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCOC3(CCC3)C2)cc1	1334066620	FUIIKLWMUQWQAB-ZDUSSCGKSA-N	318.373	1.806	50	20	DDGD	
Cn1ccc(NNC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)n1	1261384176	HZFDNHHCEDERFO-OAHLLOKOSA-N	300.318	1.035	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1ccc(F)c(F)c1	1349432681	JXHIUVAABVFXDX-QXEWZRGKSA-N	312.316	1.641	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2c(C)nsc2C)cc1	1348088353	ZMGWZTWACOBSPE-UHFFFAOYSA-N	305.359	1.843	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CC[C@@H]1[C@H](C)Nc2ccnn2[C@H]1C	1263773662	BDMCPZAAZQACLA-SDDRHHMPSA-N	322.413	1.347	50	20	DDGD	
C[C@H](CC(=O)NNc1nncc(N)c1Cl)C1CCNCC1	1261495269	YMZFICWACKVOHB-MRVPVSSYSA-N	312.805	1.181	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(OC(F)F)c(OC)c1	1350620532	VAWAYTRDVZUKQR-UHFFFAOYSA-N	319.264	1.096	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNc1cccc(S(C)(=O)=O)c1	1353628467	LCLYDYGAPPMKDZ-QWHCGFSZSA-N	312.391	1.348	50	20	DDGD	
O=C(NNC(=O)c1cnn2c1NCCC2)c1ccc(Cl)cc1	1519082436	AXTYIUXFGOOGPK-UHFFFAOYSA-N	319.752	1.427	50	20	DDGD	
CO[C@@H](C1CC1)[C@H](C)NC(=O)NNc1cccc(C(=O)O)c1	1606668615	BFQJLZXJXWFQOG-TVQRCGJNSA-N	307.350	1.824	50	20	DDGD	
COc1ccc(N2CCC(=NNC(=O)NCC(=O)O)CC2)cc1	1607269091	CUDPQKLUSSZVGC-UHFFFAOYSA-N	320.349	1.035	50	20	DDGD	
O=C(NNc1cc(F)cc(F)c1F)c1coc(-c2nn[nH]n2)c1	1606853573	QSBUQIOLCMUNCN-UHFFFAOYSA-N	324.222	1.634	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)C1=COCCC1	1609558676	BANISZOBOJRPJO-UHFFFAOYSA-N	320.740	1.658	50	20	DDGD	
N#CSCCCNS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)O	1601079644	OXAKHYZZUNHGOL-VHSXEESVSA-N	306.409	1.154	50	20	DDGD	
O=C(/C=C/c1ccc(C(=O)O)o1)NNC(=O)NC1CCCC1	1601236258	NOVKUGRJMXINPJ-SOFGYWHQSA-N	307.306	1.264	50	20	DDGD	
O=C(NCC(Cl)Cl)Nc1cccc(-c2nn[nH]n2)n1	1606695786	RRXJQCNVWRVJKX-UHFFFAOYSA-N	302.125	1.187	50	20	DDGD	
CN(C)N(C(=O)CC1(C#N)CC1)c1nc(CC(=O)O)cs1	1606037274	OLEYAEONPKUIBO-UHFFFAOYSA-N	308.363	1.274	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(CC(=O)O)c(F)c1	1604919229	QWSCUEAAARDHIS-MRVPVSSYSA-N	311.313	1.652	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNc1ccc(C(=O)O)cn1	1601372802	XLORMCJPXCCWMN-UHFFFAOYSA-N	311.301	1.113	50	20	DDGD	
Nc1c(Cl)cc(F)cc1C(=O)NNc1ccc(C(=O)O)cn1	1601209654	BSJPCJCBWNHVBO-UHFFFAOYSA-N	324.699	1.911	50	20	DDGD	
O=C(NNC(=O)[C@@H](C(=O)O)C1CC1)c1cc2c(s1)CCC2	1605814731	QMBQBUNJONNMSI-NSHDSACASA-N	308.359	1.109	50	20	DDGD	
Cn1c(CC(=O)NN=CCC(C)(C)C(=O)O)nc2ccccc21	1608086934	GWBTVIGEFYCOPG-UHFFFAOYSA-N	316.361	1.719	50	20	DDGD	
O=C(O)[C@@H]1CCC[C@@H](C(=O)NNCC(F)(F)C(F)(F)F)C1	1601803786	RDBINTOSIDZVIT-RNFRBKRXSA-N	318.242	1.696	50	20	DDGD	
O=C(O)[C@@]1(C(=O)NNc2cc(C(F)(F)F)ccn2)CCCO1	1605935514	MMGQDIYLPXHZHO-NSHDSACASA-N	319.239	1.177	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=CCC(C)(C)C(=O)O	1610561402	HZOPZOBMRSVTTQ-UHFFFAOYSA-N	316.361	1.948	50	20	DDGD	
CC(=NNC(=O)c1ccc(O)nc1)c1cnn(CC2CCC2)c1	1553288381	ZVAIBJKHQYKQJN-UHFFFAOYSA-N	313.361	1.938	50	20	DDGD	
CC(C)(C)Oc1cccc(C(=O)NNC(=O)C2CCNCC2)c1	1575259040	RHOPBTZQWJPZGJ-UHFFFAOYSA-N	319.405	1.625	50	20	DDGD	
COc1ccc(SCCCC(=O)NNC(=O)[C@H]2CCN2)cc1	1579236116	RHQWGBMCTSWFRF-CYBMUJFWSA-N	323.418	1.077	50	20	DDGD	
CC1=C(C(=O)N2CCCC23CN(C(=O)[C@H](F)Cl)C3)CCO1	1843140882	FLOPTFFQNBRSPK-NSHDSACASA-N	316.760	1.419	50	20	DDGD	
C[C@H](CN)C(=O)N1CC2(CCCN2C(=O)C(C)(C)CCl)C1	1841225708	AUYIYADWKBFECB-LLVKDONJSA-N	315.845	1.050	50	20	DDGD	
O=C(NN=Cc1csc(-c2nn[nH]n2)c1)[C@H]1CCCS1	1593154705	DYHMTZKWCMIGAN-MRVPVSSYSA-N	308.392	1.274	50	20	DDGD	
O=C(NNC(=O)[C@@H](C(=O)O)C1CCCC1)c1ccccc1Cl	1594779456	RWBTVGVQCHITMS-LBPRGKRZSA-N	324.764	1.992	50	20	DDGD	
O=C(O)CC[C@H]1C[C@@H](C(=O)NNC(=O)Nc2ccccc2)CO1	1595006869	WPCNZKTYOSFWGB-PWSUYJOCSA-N	321.333	1.109	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843365315	JLIUFGYKTSUMIF-RKDXNWHRSA-N	311.184	1.742	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2nc3cccnc3s2)nc1	1595221067	VWIMLKJMBPZCIF-UHFFFAOYSA-N	315.314	1.541	50	20	DDGD	
CC[C@](C)(CNC(=O)NNc1ccc(C(=O)O)cc1F)OC	1594834198	ANJAAXGSXRWOQI-CQSZACIVSA-N	313.329	1.965	50	20	DDGD	
C[C@]1(CNC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)C[C@@H]1Br	1594017179	MNWQYZIJMQJMFP-QXDXILDGSA-N	317.183	1.132	50	20	DDGD	
CCOC(C)(C)CNC(=O)NNc1ccc(C(=O)O)c(F)c1	1596768626	KSXZFSFNPGYHCL-UHFFFAOYSA-N	313.329	1.965	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNc1ccc(F)c(C(=O)O)c1	1597730489	UVPDHCMFSXFJOB-UHFFFAOYSA-N	318.308	1.942	50	20	DDGD	
Cn1ccc(C=NNC(=O)Nc2ccc(C(=O)O)cc2)cc1=O	1776046378	NGODINJTXVSCTP-UHFFFAOYSA-N	314.301	1.239	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cncc(F)c1	164312632	QPKPQVJQXSNLON-SECBINFHSA-N	321.283	1.588	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@@H]1CCn2cncc2C1	151923506	KBMBTMGOGUJYAD-CQSZACIVSA-N	312.373	1.226	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)NCc1ccc(Cl)cc1	153546225	CMKMNARUBDPPRJ-JTQLQIEISA-N	313.785	1.986	50	20	DDGD	
O=C(Cc1cc(-c2ccccc2)on1)NNc1ncc(F)cn1	157606328	PILWUEWFUCJTID-UHFFFAOYSA-N	313.292	1.957	50	20	DDGD	
Cc1sc(=O)n(CC(=O)NNc2ccc(C#N)cc2)c1C	155298611	MJTIUYSAJINZKQ-UHFFFAOYSA-N	302.359	1.542	50	20	DDGD	
CC(C)CC(=O)N1CCC(NC(=O)NNc2ncccn2)CC1	157897237	QVGYINALVXUHHN-UHFFFAOYSA-N	320.397	1.140	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C(F)(F)C1(O)CCC1	154547118	DZPKPWVBWDGXOG-UHFFFAOYSA-N	314.288	1.007	50	20	DDGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCCN1	159849792	YFCHMFYOYUEBEG-SNVBAGLBSA-N	307.741	1.585	50	20	DDGD	
CCN1C[C@@H](NS(=O)(=O)c2ccc(CCl)cc2)CC1=O	391481342	STFTWMPANFKUSW-NSHDSACASA-N	316.810	1.325	50	20	DDGD	
CONC(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C	53720538	RIIDBYMXWZCKGW-NHXNDTTKSA-N	303.362	1.869	50	20	DDGD	
CC(C)c1cccc(OCC(=O)NNC(=O)c2cnn(C)c2)c1	117680589	IAIUGXRJPNARRF-UHFFFAOYSA-N	316.361	1.384	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc(F)c(F)cc1Cl	109996570	RNMMWLKTFZCZAZ-UHFFFAOYSA-N	314.679	1.725	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)/C=C/c2ccc3ccccc3n2)cn1	117683597	GEVJZHPQULILJA-CMDGGOBGSA-N	321.340	1.443	50	20	DDGD	
CC(C)(Cc1ccccc1)C(=O)NNC(=O)Cc1cc[nH]n1	186120121	DDZICQIXQCEOCO-UHFFFAOYSA-N	300.362	1.369	50	20	DDGD	
CN1CCC[C@@H](CNC(=O)NNC(=O)Cc2ccccc2F)C1	66978874	XIPWNAGWYFIURO-LBPRGKRZSA-N	322.384	1.040	50	20	DDGD	
COc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)c2cccnc2)c1	60064466	FFHXKWBIARMBQP-UHFFFAOYSA-N	316.273	1.073	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@H](C)CN1CCOCC1	185143482	UNGCQDCDKAUQHQ-GFCCVEGCSA-N	310.373	1.481	50	20	DDGD	
CCOCCNC(=O)NNC(=O)NCc1ccc(Cl)cc1	112716276	QCTUQHREOAOSQI-UHFFFAOYSA-N	314.773	1.390	50	20	DDGD	
CC(C)[C@H]1OCCC[C@H]1CNC(=O)NNC(=O)c1ccc[nH]1	176779722	INRDZKJPPQUZLS-WCQYABFASA-N	308.382	1.410	50	20	DDGD	
CN(C)N(C(=O)c1ccc2c(c1)CCC2)[C@H]1CCS(=O)(=O)C1	68525724	NDMCACSTJMMJFG-HNNXBMFYSA-N	322.430	1.281	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCOc1ccc(C)c(C)c1	65205777	FPWYUPQDLJWIED-UHFFFAOYSA-N	323.393	1.439	50	20	DDGD	
Cc1cc(NNC(=O)c2ccnc(OCC(F)F)c2)ncn1	179087309	MESZKBKXRKEURY-UHFFFAOYSA-N	309.276	1.581	50	20	DDGD	
O=C(Cn1cncn1)NN=C(c1ccccc1)c1ccccc1	66278284	IXUCCSFGOPWBJD-UHFFFAOYSA-N	305.341	1.847	50	20	DDGD	
O=S(=O)(c1ccc(CCl)cc1)N1CCC[C@H](CO)C1	306025956	KILOMARGTTYVNJ-LBPRGKRZSA-N	303.811	1.818	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](C)c1ccc(F)cc1F	66687630	WZXVLEHDZCHYEB-QMMMGPOBSA-N	301.293	1.393	50	20	DDGD	
COc1ccc(CCNC(=O)/C(C#N)=C\c2cnn(C)c2)cc1	78268786	YABLBSFBAGJHST-DHDCSXOGSA-N	310.357	1.695	50	20	DDGD	
CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)CN(C)C	75653518	CFWHXTOXWITWMU-LBPRGKRZSA-N	307.394	1.288	50	20	DDGD	
COC1(CNC(=O)NNc2c(C)cccc2F)CCOCC1	185582832	DOEIRIXGABFXEL-UHFFFAOYSA-N	311.357	1.956	50	20	DDGD	
C=CCOc1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1OC	32260607	DCXGHABMUDZLBZ-ZDUSSCGKSA-N	320.345	1.200	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)OCCC(C)C)cc1	121866642	FJDCWQCGNHZUMM-CQSZACIVSA-N	322.405	1.972	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	123034427	VUMZLCAVQGPMQX-UHFFFAOYSA-N	323.378	1.119	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C(C)(C)C)c(=O)oc2ccccc12	78687206	GJNYMRPHHTYVKL-UHFFFAOYSA-N	302.330	1.909	50	20	DDGD	
O=C(CCc1ccccn1)NNc1nc(-c2ccncc2)no1	76452820	PKIGOLGTZAKDTG-UHFFFAOYSA-N	310.317	1.603	50	20	DDGD	
C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)C1CC1	72967678	GPIQQDUJWQZXQJ-MRVPVSSYSA-N	309.753	1.016	50	20	DDGD	
O=S(=O)(CCCCl)N1CCN(Cc2ccsc2)CC1	37842493	XPXQPYPMTWAERX-UHFFFAOYSA-N	322.883	1.824	50	20	DDGD	
CCCCC[C@@H](C)CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1	79337559	GAXLMWGNYFAOML-NEPJUHHUSA-N	318.439	1.175	50	20	DDGD	
Cc1cc(=O)n(C)cc1NC(=O)NNC(=O)c1ccccc1	182012520	KEBSGKPVQPRTAV-UHFFFAOYSA-N	300.318	1.160	50	20	DDGD	
C#CCN1CCC(C(=O)NNc2ccc(C#N)c(Cl)c2)CC1	182384652	FAZFKKZMYKFXCX-UHFFFAOYSA-N	316.792	2.000	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccccc1O)c1ccccn1	43191897	SFVBNSHHBRIRMB-SNVBAGLBSA-N	300.318	1.492	50	20	DDGD	
C[C@@H]1CC(NC(=O)NNC(=O)Cc2ccncc2)C[C@H](C)C1	83232702	KRZDZLLSLWCSKA-ONXXMXGDSA-N	304.394	1.779	50	20	DDGD	
C[C@H]1CCCC[C@@H]1NCC(=O)NNC(=O)c1ccc(F)cc1	194668920	SITVOLDQKIZLTM-FZMZJTMJSA-N	307.369	1.755	50	20	DDGD	
CCc1oc2ccccc2c1C(=O)NNc1nccn(C)c1=O	132525443	TUXWRKLHJQKUAP-UHFFFAOYSA-N	312.329	1.846	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(F)cc(Cl)c1O	131787752	HKYMWLFAYYSZNB-UHFFFAOYSA-N	312.688	1.740	50	20	DDGD	
O=C(NNc1cnccn1)[C@@H]1CC(c2cccc(F)c2)=NO1	133338724	NHISMYNYDSILDH-LBPRGKRZSA-N	301.281	1.252	50	20	DDGD	
COc1cc(C(=O)NNc2cnccn2)cc([N+](=O)[O-])c1C	190380958	KHIBVQWVGSCCGF-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccccc1O)C(C)(C)CN(C)C	85423656	RGPBNRGAWRWHTJ-LLVKDONJSA-N	322.409	1.313	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CC(F)(F)F)cc1	194385378	OCIHTJRTJOIMQT-UHFFFAOYSA-N	304.268	1.728	50	20	DDGD	
C[C@H]1CCCN(CCNC(=O)NNc2nc3ccccn3n2)C1	190993250	FMCRRHDZKJXSAO-LBPRGKRZSA-N	317.397	1.087	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1)c1ccc(Br)s1	236609321	SRQNPTZOAIBIBN-ZCFIWIBFSA-N	318.196	1.024	50	20	DDGD	
CC[C@H](C)C[C@@H](C)NC(=O)NNc1nc(O)c2cnn(C)c2n1	269296100	ROOKWSROVVTZSF-DTWKUNHWSA-N	321.385	1.520	50	20	DDGD	
O=C(NCCc1ccc2c(c1)CCO2)NNC(=O)C1CCC1	265116240	DHQMPEGAWWHBNJ-UHFFFAOYSA-N	303.362	1.295	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=S)Nc2ccccc2OC)O1	268259921	RBDZSWNFPGJJGG-MFKMUULPSA-N	323.418	1.970	50	20	DDGD	
O=C(NCCN1CCc2sccc2C1)NNC(=O)C1CCC1	264782245	YQGLKTCPGOBUMV-UHFFFAOYSA-N	322.434	1.237	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCCO3)O1	268333310	OAEUPCOHDMFZQO-YPMHNXCESA-N	320.345	1.176	50	20	DDGD	
CCOCCC(=O)NNC(=O)COc1ccccc1OCC	263980525	VPYWEDLZBKXTDH-UHFFFAOYSA-N	310.350	1.038	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@H](C)CCO)cc(C#N)n1C	269566828	HBPFBKHJYKMGGW-JBARUQGQSA-N	300.362	1.247	50	20	DDGD	
CCCCOCC(=O)NNC(=O)CNc1ccccc1OC	265565919	VXRRGHOEKCVMAK-UHFFFAOYSA-N	309.366	1.071	50	20	DDGD	
C#C[C@@H](C)NC(=O)NNC(=O)c1ccc(OCC)c(OC)c1	274855188	WMQALNUYGXFBIQ-SNVBAGLBSA-N	305.334	1.060	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1	274141346	CDJDZDHNTXUDTF-UKRRQHHQSA-N	317.389	1.897	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ccc(-n2ccnn2)cc1	272597683	PBYOAWHZQYHCKB-UHFFFAOYSA-N	300.322	1.220	50	20	DDGD	
C=C(CBr)CN1CC[C@@H](OC)C[C@H]1C(=O)OC	377068081	PWBYOYSPPRULFV-MNOVXSKESA-N	306.200	1.590	50	20	DDGD	
CC(C)(C)NC(=O)c1ccc(NC(=O)NNC(=O)C2CC2)cc1	274053549	HIAMTYKIKJOYKZ-UHFFFAOYSA-N	318.377	1.778	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(-c2cnn(C)c2)nn1	278761705	OPDVLNHVVLZBJV-VIFPVBQESA-N	317.353	1.076	50	20	DDGD	
Cc1cccnc1NNC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-]	276780742	UZMVSHVMBNIGDK-UHFFFAOYSA-N	304.310	1.902	50	20	DDGD	
CC(C)(C)[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc[nH]2)CCO1	270709513	BKUDWVKXHIQNKQ-PWSUYJOCSA-N	308.382	1.552	50	20	DDGD	
COc1cc(F)c(NC(=O)NNC(=O)C2CCC2)cc1OC	272811687	JLIIBVWRPBRDRV-UHFFFAOYSA-N	311.313	1.796	50	20	DDGD	
CO[C@H]1CCN(C(=O)NNC(=O)c2ccc(C)s2)[C@H](C)C1	281592613	FQHYAQCTCRVGOO-KOLCDFICSA-N	311.407	1.910	50	20	DDGD	
CC(=O)N1CC(C(=O)NNC(=O)Nc2ccc(C)cc2Cl)C1	283788534	SSKYGXYJKNCUQY-UHFFFAOYSA-N	324.768	1.279	50	20	DDGD	
COc1cccc(NNC(=O)NCCc2cccc(C)n2)n1	280081829	ZZOIJPINMTWRCS-UHFFFAOYSA-N	301.350	1.662	50	20	DDGD	
COCCOc1ccc(CC(=O)NNc2ncccc2F)cc1	286109886	WBLSPGXHJFCDHJ-UHFFFAOYSA-N	319.336	1.932	50	20	DDGD	
CCc1nc(C(=O)NN(C)C(=O)OC)nn1-c1ccccc1	286520037	XLOWFCXOOFQIAL-UHFFFAOYSA-N	303.322	1.173	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)C(C)(C)COCc1ccccc1	282898433	ZWXMCDBAUPVFRI-UHFFFAOYSA-N	308.378	1.148	50	20	DDGD	
COC(=O)N(C)NC(=O)COc1ccc(CCC(C)=O)cc1	286232044	GCTLCLQZOZTCOS-UHFFFAOYSA-N	308.334	1.316	50	20	DDGD	
O=C(CCC1CCCC1)NCC(=O)NNc1cccc(F)n1	286576863	MQAXQXOJBMEDFF-UHFFFAOYSA-N	308.357	1.750	50	20	DDGD	
C[C@H](C[S@@](C)=O)N(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	280074517	CBRVYXUCXAMGCY-MMUKRHLESA-N	306.387	1.525	50	20	DDGD	
CCC1(C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)CCC1	801111468	OMSMNBZHYQVFAU-UHFFFAOYSA-N	303.362	1.661	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](O)c1cccc(C(F)(F)F)c1	803076342	UKSDJCFJPHBQAU-SNVBAGLBSA-N	319.283	1.431	50	20	DDGD	
Cc1cc(C(N)=O)ccc1NC(=O)NNc1cccc(F)n1	806202952	XQLVJLCLXXTWQW-UHFFFAOYSA-N	303.297	1.777	50	20	DDGD	
COCCN(C)NC(=O)c1sc(-c2c(C)noc2C)nc1C	297083909	MGYRNUODMKPYKL-UHFFFAOYSA-N	324.406	1.946	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H]1CCCN1Cc1ccccc1	294009033	BELUMNBAKHAOKA-HNNXBMFYSA-N	301.390	1.599	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CN1CCCCC1=O	299705677	XEOUDFYANUXDGT-UHFFFAOYSA-N	308.290	1.521	50	20	DDGD	
C[C@@H](NC(=O)C1CCCCC1)C(=O)NNc1cccc(F)n1	804770732	PGIZARRZWFSPSJ-SNVBAGLBSA-N	308.357	1.749	50	20	DDGD	
O=C(NNC(=O)[C@@H]1OCCc2ccccc21)[C@H]1CCCCO1	295675792	XMRBLGXLKMYSOS-ZIAGYGMSSA-N	304.346	1.017	50	20	DDGD	
COCCN(C)NC(=O)CCCOc1ccc(C(C)=O)cc1	293564239	IHUBUPYQADISID-UHFFFAOYSA-N	308.378	1.658	50	20	DDGD	
Cc1ccccc1C(=O)NNS(=O)(=O)N1CCC(C)CC1	808069812	BBCKFUHFDUHSEG-UHFFFAOYSA-N	311.407	1.206	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc(OC(C)(C)C)cn1	292806344	RQLYGYVOTAPKAI-UHFFFAOYSA-N	316.361	1.672	50	20	DDGD	
O=C(CCn1ccccc1=O)NNC(=O)Nc1ccccc1	801988537	GGAKVHQLDHELAC-UHFFFAOYSA-N	300.318	1.091	50	20	DDGD	
O=C(COCc1ccccn1)NNc1ncccc1[N+](=O)[O-]	807060771	FTXOOZJHLVXMIA-UHFFFAOYSA-N	303.278	1.045	50	20	DDGD	
NC(=O)c1cc(NC(=O)NNc2ncccc2F)ccc1F	806201544	IDAZHTRSRDLWSP-UHFFFAOYSA-N	307.260	1.607	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)n(C)n1	298770641	DOBYPWVPYFTCSJ-UHFFFAOYSA-N	316.405	1.706	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1ccc2cncn2c1	806807885	WVMCECVAESDSFS-UHFFFAOYSA-N	324.340	1.434	50	20	DDGD	
CC(C)[C@@H]1CN(S(=O)(=O)CBr)CCS1	707276027	RZLNPSYYGNGJFU-QMMMGPOBSA-N	302.259	1.742	50	20	DDGD	
O=C(CSc1nc2ccccc2o1)NNC(=O)CC1CC1	298461458	ZJNUYUAAJALDBI-UHFFFAOYSA-N	305.359	1.867	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@H]2c3ccccc3O[C@H]2C)O1	297865698	FWORGOHXAWZOMQ-TXFQPVFDSA-N	319.361	1.407	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1cccc2cccnc12	296487690	XFTLNHUQHGERTH-ZDUSSCGKSA-N	314.345	1.957	50	20	DDGD	
CSSCCNC(=O)c1c[nH]c(C(=O)N2CCCC2)c1	803474924	LMNLTIVNXGQPOM-UHFFFAOYSA-N	313.448	1.992	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)O1	297074970	DQAFLPMKUJYHOB-VKKKGTNTSA-N	321.352	1.580	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@@H]1CC(c2ccccc2)=NO1	804765698	UHFPJTNOTQDNMU-LBPRGKRZSA-N	300.293	1.857	50	20	DDGD	
O=C(NC[C@@H]1CCN(C2CC2)C1)NNC(=O)c1ccccc1F	298655020	AORFXJWZMNOTGG-NSHDSACASA-N	320.368	1.254	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)COC(F)F)c1	803158414	KPBHBONHIHRFDL-UHFFFAOYSA-N	303.334	1.860	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1ccc(-n2c(C)cnc2O)cc1	814832705	VCOWTTFQINSJOC-UHFFFAOYSA-N	315.377	1.288	50	20	DDGD	
CN(NC(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O)C1CC1	819649612	UNJSPGMYULUUJG-INIZCTEOSA-N	322.409	1.003	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1cc2c(cn1)CCCC2	813014071	OIMVQUKXFHOVTH-UHFFFAOYSA-N	311.345	1.822	50	20	DDGD	
COCC(=NNC(=O)C[n+]1ccccc1)c1cccc(Cl)c1	814694830	ARYZJSDXWNKIKS-UHFFFAOYSA-O	318.784	1.794	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ncc(OC)cn2)c1	816017042	NAZLYFPPVUUNOE-UHFFFAOYSA-N	302.290	1.029	50	20	DDGD	
O=C(NCCOC[C@@H]1CCOC1)NNc1cccc(Cl)n1	814300653	PXKVQLSTAIASNK-SNVBAGLBSA-N	314.773	1.414	50	20	DDGD	
Cc1sccc1C=NNC(=O)c1ccc(-n2cnnn2)cc1	814756092	KLZIETUGNFLMRF-UHFFFAOYSA-N	312.358	1.796	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)CC1CC1)N1C[C@H](C)O[C@H](C)C1	819136119	MTRFURCWARGIDM-TYNCELHUSA-N	311.426	1.068	50	20	DDGD	
O=C(NNC(=O)c1cc2ncccn2n1)c1ccc(Cl)cc1	816818788	LKXVFKPPLOUUMS-UHFFFAOYSA-N	315.720	1.458	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1cnn(Cc2ccccc2)c1	814957441	FZPCQALMGANSQJ-UHFFFAOYSA-N	308.345	1.347	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CNC(=O)c1cccc(O)c1	816628861	NDMOAUWVVHMDHU-UHFFFAOYSA-N	305.161	1.384	50	20	DDGD	
Cc1cc(OC(=O)[C@]23CCC(=O)N2CCS3)ccc1[N+](=O)[O-]	812056855	NZMHEFPRBHQBQZ-CQSZACIVSA-N	322.342	1.874	50	20	DDGD	
C[C@H](OCCc1ccccc1)C(=O)NNc1ncc(F)cn1	827472889	KZHHEUKPVXUCNH-NSHDSACASA-N	304.325	1.707	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)Cc1csc(-c2ccccc2)n1	823960202	XLSTUTNJBVRAFU-NSHDSACASA-N	305.403	1.696	50	20	DDGD	
CCCC[C@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)OC	491014568	XXIZDJBZHDYARQ-OTAKNEKHSA-N	304.350	1.175	50	20	DDGD	
CCNC(=O)N1CCc2ccc(NC(=O)NN(C)C3CC3)cc21	824200199	VRCRCZZDPNUBBE-UHFFFAOYSA-N	317.393	1.909	50	20	DDGD	
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1cc(C)ncn1	495554198	KJKBFESLYSUGRA-SNVBAGLBSA-N	309.370	1.531	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(C#N)ccc1OC(F)F	494659216	NLNHQWUZNDWWOO-UHFFFAOYSA-N	314.248	1.942	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)/C=C\[C@@H]1CCOC1	493520141	IELOBDVAFBTQRL-QHDQMSKJSA-N	322.336	1.333	50	20	DDGD	
Cn1ccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)n1	727294689	HGFNZAGGDWYLQH-UHFFFAOYSA-N	302.378	1.398	50	20	DDGD	
C[S@@](=O)c1ccc(CC(=O)NNC(=O)OC(C)(C)C)cc1	496858658	XTRPDQZCZODSAV-OAQYLSRUSA-N	312.391	1.522	50	20	DDGD	
Cc1ccc(C(=O)NCB(O)O)c(Sc2ccccc2)c1	585063230	WSJVUOKVJOUCEE-UHFFFAOYSA-N	301.176	1.888	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CC(C)(C)C)cc2c1OCCO2	728607858	KCDQUJLASKKWHN-UHFFFAOYSA-N	322.361	1.664	50	20	DDGD	
CCc1onc(C)c1C=NNC(=O)CCCNC(=O)C(C)(C)C	901262577	HKNDXQVFODQDHH-UHFFFAOYSA-N	322.409	1.938	50	20	DDGD	
CC(C)(C)[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)C(F)(F)F	584956372	WRGPMWNZRCZPAH-NSHDSACASA-N	321.079	1.212	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc(-c3cnco3)cc2)cn1	735444770	WMCYVWZQVBHLRD-UHFFFAOYSA-N	311.301	1.150	50	20	DDGD	
Cc1nccn1CCCNC(=O)[C@@]1(C)C[C@H]1Br	906355331	DUFQPWVQWNEGQK-PWSUYJOCSA-N	300.200	1.871	50	20	DDGD	
OB(O)[C@@H]1CCN(Cc2cnn(-c3ccc(Cl)cc3)c2)C1	585077519	WKXDIFMCQTXERW-GFCCVEGCSA-N	305.574	1.574	50	20	DDGD	
CC(C)CCOC1CCN(C(=O)c2cccc(B(O)O)c2)CC1	584935726	VVUPCTKJJUHBIW-UHFFFAOYSA-N	319.210	1.034	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCCN2C(C)C)c1F	821938713	FSXQVAPVNRPGCH-CYBMUJFWSA-N	323.368	1.928	50	20	DDGD	
CCS(=O)(=O)CCN(C)C(=O)/C(C#N)=C/c1ccc(O)cc1	588609670	UBSWZMFGTKEKPS-JLHYYAGUSA-N	322.386	1.192	50	20	DDGD	
C[C@@]1(C(=O)N[C@H]2c3ccccc3C[C@H]2O)C[C@H]1Br	907067709	JBBPDXWMLKXNQB-NRWUCQMLSA-N	310.191	1.934	50	20	DDGD	
COCC[C@@H](NC(=O)[C@@H](Br)C(C)(C)C)C(=O)O	909626374	SVMPAPCTYYNTTE-HTQZYQBOSA-N	310.188	1.402	50	20	DDGD	
C[C@@H](O)CN(Cc1ccccc1)C(=O)/C(C#N)=C\c1cnn(C)c1	491128818	FODLRBXVIVEGNE-XPGOGFAUSA-N	324.384	1.737	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cnc(OC)nc1)c1ccccc1	733936135	RPFIMFYYVSASJO-ZDUSSCGKSA-N	314.345	1.440	50	20	DDGD	
COC(=O)NN=C1CCC(N2C(=O)c3ccccc3C2=O)CC1	495568051	ACQOICBVXLTQND-UHFFFAOYSA-N	315.329	1.937	50	20	DDGD	
CC(C)(C)[C@H](NC(=O)c1ccc(B(O)O)cc1)C(F)(F)F	584955425	NESUGRXXMOPTNU-NSHDSACASA-N	303.089	1.073	50	20	DDGD	
C=C[C@](C)(CC)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	492432020	CTCRZBCHSSBIQN-OAHLLOKOSA-N	313.398	1.651	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCOCc1ccc(OC)cc1	736725092	LPBPIKJIODEYAZ-UHFFFAOYSA-N	323.418	1.283	50	20	DDGD	
C[C@H](Cc1ccc(N(C)C)cc1)NCc1ccccc1B(O)O	585029801	UWGQOPAMOFCHRC-CQSZACIVSA-N	312.222	1.153	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CCC2)c2cnn(C(C)C)c2n1	732140849	DRTBQGQDZOCWKP-UHFFFAOYSA-N	315.377	1.882	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1	732757125	SWHWQTMTGQGPSR-CHWSQXEVSA-N	324.425	1.156	50	20	DDGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)[C@H](C)C#N	735836489	HQLNTKCEEAWXAZ-NEPJUHHUSA-N	311.341	1.914	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H](COC)[C@@H]2CCCO2)cc1	838573847	PNYIKHZPPHRJPO-GJZGRUSLSA-N	323.393	1.905	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NC[C@H](C)SC)ccc1F	838526437	TWVLSUFZJCQART-QMMMGPOBSA-N	315.370	1.990	50	20	DDGD	
CC(C)C[C@H](NC(=O)O)C(=O)NNC(=O)c1cccc(C#N)c1	736415830	MBTIANFNLAEKGC-LBPRGKRZSA-N	318.333	1.002	50	20	DDGD	
CC(C)N1CCN(CCC(=O)NNc2ccccc2F)CC1	901161902	CEAASNPNCWHXQA-UHFFFAOYSA-N	308.401	1.685	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@@H](C)Oc2ccccc21	732214467	SNBUNBKPFBMDEB-OLZOCXBDSA-N	319.405	1.856	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccccc1-n1cccn1	833256379	NBBRULOUFSWVLU-AWEZNQCLSA-N	314.345	1.202	50	20	DDGD	
C/C=C\C(=O)NNC(=O)c1cc(OC)ccc1Br	737835945	OTBSYEJNGMTIIS-ARJAWSKDSA-N	313.151	1.795	50	20	DDGD	
CCOC(=O)[C@@H](CC(=O)NNc1cccc(C#N)c1)C(C)=O	830766872	RIVNCQUDEBNGCF-ZDUSSCGKSA-N	303.318	1.160	50	20	DDGD	
CCC[C@@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1	584936189	GZMPPMNYPJFZHO-GFCCVEGCSA-N	307.174	1.548	50	20	DDGD	
CC1(C)C[C@@]1(NC(=O)c1cccc(B(O)O)c1)c1ccccc1	585011112	WRQUQPOZGQJYOL-GOSISDBHSA-N	309.174	1.422	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)N[C@@H]1C[C@H]1C(C)C	838761664	WMJLEECQPVKKNP-NWDGAFQWSA-N	321.377	1.449	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)ncn1	734255445	GNZMWFKOGBRJAT-NSHDSACASA-N	305.382	1.265	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H](C)CN2CCOCC2)cc(C)c1O	916363664	XPMGUDOEZCLZEQ-CQSZACIVSA-N	319.405	1.427	50	20	DDGD	
COc1ccc(C=NNC(=O)N(C)C)c2cc(C(=O)O)oc12	832282782	ZUOQTPVYQACCMX-UHFFFAOYSA-N	305.290	1.745	50	20	DDGD	
O=C(NC[C@@H]1CCC(F)(F)C1)NNC(=O)[C@@H]1CCCCO1	836439560	XXIIIDYRSPHARQ-ZJUUUORDSA-N	305.325	1.321	50	20	DDGD	
CC[C@](C)(CNC(=O)NNc1cccc(C(=O)OC)c1)OC	838661317	MDOVCZSYGPWGAI-OAHLLOKOSA-N	309.366	1.914	50	20	DDGD	
O=CN1CCC[C@H]1C(=O)NNc1ccccc1Br	830771742	QLZNFGBZSNFQGB-NSHDSACASA-N	312.167	1.513	50	20	DDGD	
CC[C@H](C)n1nc(C(=O)NNC(=O)[C@@H]2CCCCO2)cc1C	833243775	XJZNGLKQMYFJLR-GWCFXTLKSA-N	308.382	1.493	50	20	DDGD	
Cc1cc(-n2c(C)cc(C(=O)NNc3ncccn3)c2C)no1	913043864	BTBAAVVZSCQBPL-UHFFFAOYSA-N	312.333	1.937	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1	910175152	LIVYQTJGBZBYIG-VIFPVBQESA-N	308.769	1.688	50	20	DDGD	
CSCC1CCN(C(=O)/C(C#N)=C/c2cnn(C)c2)CC1	834346719	XZAGNRCDGHTDEO-VGOFMYFVSA-N	304.419	1.929	50	20	DDGD	
C[C@H](N)C[C@@H](C)NC(=O)NNC(=O)Cc1ccc(Cl)cc1	831203541	WJQLWHGJOIDEDC-VHSXEESVSA-N	312.801	1.339	50	20	DDGD	
CC/C=C/CNC(=O)NNC(=O)c1ccc(OC)c(OC)c1	836205425	JYGNALBPPDBMRK-AATRIKPKSA-N	307.350	1.614	50	20	DDGD	
COC[C@@]1(C)CCN(C(=O)NNC(=O)c2cccc(C#N)c2)C1	836276650	NLRCGXAUJSTDMQ-INIZCTEOSA-N	316.361	1.271	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1nn(-c2ccccc2)c2c1CCC2	910174630	GTUDQGHWUADHPZ-LBPRGKRZSA-N	314.389	1.318	50	20	DDGD	
C[C@H](Cc1ccccc1F)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843650558	DPXZACJMKCAJKG-NQBHXWOUSA-N	308.353	1.577	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)c1cc(Br)c[nH]1	749763656	QJESERSBHCZTAD-ZCFIWIBFSA-N	319.228	1.685	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2CCO[C@H]2c2ccncc2)n1	845140654	KQIPLFCLNVFWGO-KGLIPLIRSA-N	313.361	1.709	50	20	DDGD	
CC(=O)CCc1ccc(OCCC(=O)NN(C)C[C@H](C)O)cc1	910170370	ZSTRMWZNLVMALN-AWEZNQCLSA-N	322.405	1.321	50	20	DDGD	
CCONC(=O)CNC(=O)NNc1ccc(Cl)cc1Cl	845551346	QKYSGHICGZEOCN-UHFFFAOYSA-N	321.164	1.687	50	20	DDGD	
COc1ccc([C@@H](C)C(C)=NNC(=O)CN2CCCC2=O)cc1	747629407	CVJAAKHEONXNSL-LBPRGKRZSA-N	317.389	1.913	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-]	910145809	WFTNWROWXVVLMG-SSDOTTSWSA-N	321.255	1.571	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1C(=O)Nc2c1ccc(O)c2F	841611002	OHTUQUKOMQJITL-UHFFFAOYSA-N	322.340	1.036	50	20	DDGD	
Cc1cccc(C)c1OCCC(=O)NNC(=O)c1ncccn1	841355095	XVAXHIGKTRPMQO-UHFFFAOYSA-N	314.345	1.324	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc2c(c1)C(=O)CC2	848449714	WNEPVTADWMEVIW-VIFPVBQESA-N	310.375	1.171	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc2c(s1)CCOC2	843649028	SYXOOGQBMWIXCV-WCBMZHEXSA-N	310.375	1.007	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CCC[C@H](N)C2)c1	841983761	VMZODXOLMJORET-RYUDHWBXSA-N	306.366	1.369	50	20	DDGD	
O=C(NNc1cccc(F)n1)N[C@@H]1CCCN2CCCC[C@@H]12	848675260	VJBKMZPUNAJDBN-NEPJUHHUSA-N	307.373	1.864	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(NC(=O)C(C)(C)C)nc1	910144564	KSLOHJSDLSZVCB-JTQLQIEISA-N	308.382	1.024	50	20	DDGD	
CC(=NNC(=O)C(=O)NC(C)C)c1nc2ccccc2s1	744817606	LIHWENGBFNABOX-UHFFFAOYSA-N	304.375	1.661	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(Cl)ccc1F	843645418	RAUNVVVUNYMGHN-APPZFPTMSA-N	300.717	1.665	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CCc2cnn(C)c2)cc1	846371398	CXUYIKRKVCXRLU-UHFFFAOYSA-N	316.361	1.212	50	20	DDGD	
CCN[C@H](C)CNC(=O)NNC(=O)c1c[nH]c2ccccc12	841987090	XLXMKRAARARIMS-SNVBAGLBSA-N	303.366	1.110	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@](C)(O)CC)cc1OC	929320350	VJKCXLPQQPGZRB-HNNXBMFYSA-N	310.350	1.016	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H]1C[C@H]1CC(C)(C)C	845384371	IWWPMTGKYDXMMU-SDDRHHMPSA-N	315.414	1.193	50	20	DDGD	
CN(C)[C@H](C(=O)NNC(=O)C1CCC1)c1ccc(Cl)cc1	847482084	QLPGAUFPUKRNKD-ZDUSSCGKSA-N	309.797	1.890	50	20	DDGD	
Cc1cc(NNC(=O)NCC2(CC(N)=O)CC2)ccc1Cl	922933071	XMNQCFQVKGPQHU-UHFFFAOYSA-N	310.785	1.930	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)CCNC(C)(C)C)c1	929247463	ZHBCVSPHNSIWDE-UHFFFAOYSA-N	321.421	1.608	50	20	DDGD	
C[C@H]1CCC[C@H](OCC(=O)NNC(=O)c2cccc(F)n2)C1	856424979	WXOYKWRIKJKTAT-QWRGUYRKSA-N	309.341	1.577	50	20	DDGD	
Cc1cc(OC(=O)[C@@H]2CCCCS2(=O)=O)ccc1[N+](=O)[O-]	753626135	PJZMDSAVWZEWFT-LBPRGKRZSA-N	313.331	1.776	50	20	DDGD	
CCn1nccc1CNC(=O)NNC(=O)Cc1ccc(F)cc1	852715200	BYLOEDDEICOGSK-UHFFFAOYSA-N	319.340	1.115	50	20	DDGD	
O=C(NNC(=O)C(F)(F)C1(O)CCC1)c1cccc(Cl)n1	857323161	DBFADYKVAMHLMA-UHFFFAOYSA-N	319.695	1.046	50	20	DDGD	
C[C@H](CNC(=O)NNc1ccc(F)c(F)c1)S(C)(=O)=O	921640766	QCFKZLQGFUQVFN-SSDOTTSWSA-N	307.322	1.024	50	20	DDGD	
C[C@]1(CNC(=O)CCCCCNC(N)=O)C[C@H]1Br	857401643	GKLDKPNDHICZRT-BXKDBHETSA-N	320.231	1.505	50	20	DDGD	
CCCN1CC[C@H](NC(=O)NNC(=O)Nc2ccccc2C)C1	852631987	NMUNCCSLIFMMCI-ZDUSSCGKSA-N	319.409	1.815	50	20	DDGD	
COCc1nc(C(=O)NC[C@]2(C)C[C@H]2Br)no1	857250142	SBUOPRAITIUPIM-LDWIPMOCSA-N	304.144	1.119	50	20	DDGD	
Cn1nc(CC(=O)NNc2ncc(F)cc2F)c2ccccc21	857533775	LTWYAQHJQNUFLU-UHFFFAOYSA-N	317.299	1.932	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)N[C@@H]1CC(=O)N(C2CC2)C1	921343437	QNNDESQDQJZBKH-SECBINFHSA-N	310.304	1.354	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CCO[C@@H](CF)C2)c1	858707037	HVVOCDBUWVMQPP-VIFPVBQESA-N	301.343	1.081	50	20	DDGD	
CN(C)C(=O)c1ccc(C=NNC(=O)OCC(F)(F)F)[nH]1	853429611	NLMFFCBIJILTCD-UHFFFAOYSA-N	306.244	1.339	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1ccc(Cl)c(F)c1	750937513	UNSLNPYATBACJB-UHFFFAOYSA-N	323.711	1.952	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](C[C@@H]1CCCO1)C(F)(F)F	854928128	XOUDCFWBMJXRGE-YUMQZZPRSA-N	313.345	1.201	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)CCCCN1CCCC1)C1CC1	855103751	ZDNPEGYALJFJRN-LBPRGKRZSA-N	312.483	1.546	50	20	DDGD	
NCCCCCC(=O)NNC(=O)Nc1nc2ccccc2s1	857767036	WQBUDLYFCMICNP-UHFFFAOYSA-N	321.406	1.968	50	20	DDGD	
COC1(C(=O)NNC(=O)COc2ccccc2F)CCCC1	754156000	OKQOSOJIHPHVOC-UHFFFAOYSA-N	310.325	1.311	50	20	DDGD	
CON=Cc1ccc(C(=O)NNC(=S)NCC2CCC2)cc1	855093307	LKEYUHZCJFUWBG-UHFFFAOYSA-N	320.418	1.576	50	20	DDGD	
C[C@@H]1CN(C2CC2)CC1=NNC(=O)Cn1cnc2ccccc21	755880200	LYAMPACTVCLQQI-GFCCVEGCSA-N	311.389	1.623	50	20	DDGD	
Cc1nccn1CCCC(=O)NNc1cc(Cl)nc(N)n1	753455585	SWKPDIDIRWEAAJ-UHFFFAOYSA-N	309.761	1.141	50	20	DDGD	
C[C@@H]1OCC[C@@H]1SCC(=O)NNC(=O)c1ccc(C#N)cc1	754719064	JBGJMVJCQSREHR-GWCFXTLKSA-N	319.386	1.230	50	20	DDGD	
CCOCCn1cc(C(=O)NNc2ccc(OC)cn2)cn1	857185017	FWOAWSYOMQAHQE-UHFFFAOYSA-N	305.338	1.080	50	20	DDGD	
C[C@]1(CN2C(=O)N[C@@H](CC3CC3)C2=O)C[C@H]1Br	857227462	NWJMYZIGSHLGIU-YGOYTEALSA-N	301.184	1.880	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(C)n(-c2ccc(C)cc2)n1	854922971	VMKDBORLCSWEHQ-UHFFFAOYSA-N	317.418	1.570	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)C1(CO)CCOCC1	857474051	PQWMBBXJXZRKDG-UHFFFAOYSA-N	316.304	1.520	50	20	DDGD	
COc1ncncc1NC(=O)NNC(=O)c1ccc(Cl)nc1	757689673	GKHULGAYOFFRNJ-UHFFFAOYSA-N	322.712	1.000	50	20	DDGD	
Cc1cc(=NNC(=O)CCCn2c(C)cc(=O)cc2C)cc[nH]1	862514079	QCBOPCCUYNRVKM-UHFFFAOYSA-N	314.389	1.514	50	20	DDGD	
CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN(C)C(N)=O	860516876	QDPGDEJBRJOCNG-JTQLQIEISA-N	316.402	1.358	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCC(=O)NC1CCCCC1	866672513	MXGJRKJLTWZMNA-UHFFFAOYSA-N	324.874	1.620	50	20	DDGD	
CN(C)c1ccc2c(c1)N(C)C(=O)C2=NNC(=O)c1ccccc1	761724364	RUHBPTCTCNQBOF-UHFFFAOYSA-N	322.368	1.863	50	20	DDGD	
Cc1cccc(NNC(=O)CNC(=O)CCC2CCCC2)n1	862523422	CWDNVRHCLLZUII-UHFFFAOYSA-N	304.394	1.920	50	20	DDGD	
Cc1nc2c(cc1C(=O)NN[C@H](C)C(F)(F)F)c(C)nn2C	862308078	XGATXFJUXQREHW-MRVPVSSYSA-N	315.299	1.770	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ncc(Br)s1	765260074	QSISKFRGQWWWJX-UHFFFAOYSA-N	307.173	1.260	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)CCc2cn[nH]c2)cc1C	863919184	TUMRTWSZVOTQNY-UHFFFAOYSA-N	316.361	1.971	50	20	DDGD	
CCOC(=O)c1cnc(C)c(NC(=O)NNC(=O)C(C)(C)C)c1	760943245	BZKCLSAJCHQALL-UHFFFAOYSA-N	322.365	1.766	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@@H]1CCN1C1CCCC1)C1CC1	863205033	OVTKBEVPDFJQOI-MFKMUULPSA-N	310.467	1.297	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1C[C@@H]2CCCc3cccc1c32	763355349	UUOLMUAOKKXKTM-ZDUSSCGKSA-N	311.385	1.953	50	20	DDGD	
COCC1(C(=O)NNCC(F)(F)C(F)(F)F)CCOCC1	863098654	AJVBKFKSSRYIHP-UHFFFAOYSA-N	320.258	1.248	50	20	DDGD	
Cc1ncc([C@H](C)NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)s1	868735836	KBOYBCFARIYNLA-OYNCUSHFSA-N	312.395	1.268	50	20	DDGD	
O=C1N[C@H](C(=O)NNc2ccc(C(F)(F)F)cn2)CCO1	860938281	SWCAJAYOFXRSCP-ZETCQYMHSA-N	304.228	1.042	50	20	DDGD	
O=C(NNc1cccc2c1CCCC2)[C@@H]1CN2CCCN1CC2	765010148	VPGKLIVDPHMDQO-KRWDZBQOSA-N	314.433	1.398	50	20	DDGD	
Cc1cccc2nc(C(=O)NNc3ncnc4[nH]cnc34)cn12	1116156969	YYJBAUSDSFPRSU-UHFFFAOYSA-N	308.305	1.066	50	20	DDGD	
CCCCOc1ccccc1C=NNC(=O)C(=O)NC1CC1	767359128	FUEBZXIHYYWOFP-UHFFFAOYSA-N	303.362	1.594	50	20	DDGD	
C[C@@H]1CN(C[C@@H](C)C(=O)NN=C2CC(C(F)F)C2)C[C@@H](C)O1	766016368	UMUWCLRJJGKZBG-KBIHSYGRSA-N	317.380	1.879	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)c1cnns1	762360572	GINOBVYFJCCUPR-UHFFFAOYSA-N	324.387	1.100	50	20	DDGD	
O=C(NNc1cccc2cnccc12)c1ccc2nnc(O)n2c1	763102225	GIZHZQNRMLIFFY-UHFFFAOYSA-N	320.312	1.740	50	20	DDGD	
CC(=O)OCC(C)(C)CC(=O)NNc1nc2ccccc2[nH]1	870213074	VWIVHMSADNIMCJ-UHFFFAOYSA-N	304.350	1.985	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCc2nnc(C)o2)cc1	873798481	KBKRWOFOFHXYFR-UHFFFAOYSA-N	302.334	1.334	50	20	DDGD	
CC(=NNC(=O)c1ccc(C(=O)O)cc1)c1cc2n(n1)CCC2	872411803	UUHWIXHFEIJRFM-UHFFFAOYSA-N	312.329	1.682	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@@H](CC)c1ccccc1OC	775075961	HWBGENDZNQOHJS-AAEUAGOBSA-N	307.394	1.682	50	20	DDGD	
CCN(CC(C)C)C(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1118819742	LAPMWMRBIAYLPZ-MFKMUULPSA-N	319.243	1.781	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CC=C(C#N)CC1	779588332	YIEJCNXQLJWJPC-ZBFHGGJFSA-N	305.422	1.854	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@@H](C)CC(N)=O	873854372	YCRGBMBFTACFPQ-JTQLQIEISA-N	322.434	1.387	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1ccc2cccnn12	777799745	CBAKNEXFFPNUDP-UHFFFAOYSA-N	321.300	1.536	50	20	DDGD	
CC[C@@H](C)n1ncc(NC(=O)NNC(=O)CN(C)C)c1C1CC1	775692250	XYBXPWREEZRUGS-SNVBAGLBSA-N	322.413	1.446	50	20	DDGD	
C[C@]1(CCC(=O)NNc2cnc3ccccc3n2)CCC(=O)N1	774785468	KVYCXOPQVSTYSL-MRXNPFEDSA-N	313.361	1.522	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)Cn1cccn1	772968364	RSZDLYOFHDXLRX-SNVBAGLBSA-N	322.752	1.151	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)O1	772188673	SFGSBASINJGGMX-QJPTWQEYSA-N	314.382	1.069	50	20	DDGD	
C=CCOc1cccnc1C(=O)NNc1ccnc(N(C)C)n1	775607344	LPBWBMITFDDPBA-UHFFFAOYSA-N	314.349	1.259	50	20	DDGD	
CC[C@@H](C)n1nc(C(=O)NNC(=O)c2c[nH]nc2C)cc1C	778260649	JSLWQXCFYQYMDZ-MRVPVSSYSA-N	304.354	1.269	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C[C@H]1CCC[C@@H]1C	772362836	DBKBCJGIEMOUEL-RWMBFGLXSA-N	312.410	1.938	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc(Cl)cc1Cl	779816430	JLPPNWYMCSJQOY-UHFFFAOYSA-N	304.133	1.800	50	20	DDGD	
Cc1nc(N)c2c(C)c(C(=O)NNc3cnccn3)sc2n1	775279559	ZWQZPLJHQZYMMI-UHFFFAOYSA-N	315.362	1.437	50	20	DDGD	
CN1CCN(c2ccc(C=NNC(=O)NCC3CC3)cc2)CC1	771564484	SPYOCTCZMVDIAW-UHFFFAOYSA-N	315.421	1.482	50	20	DDGD	
C[C@@H](CBr)CN1CCN([C@H]2CCCN(C)C2)CC1	770667300	PHGPEKXLWIFBAP-KBPBESRZSA-N	318.303	1.729	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1CC(c2ccccc2C)=NO1	887153145	JJNFWPFMQGPACC-HNNXBMFYSA-N	313.357	1.439	50	20	DDGD	
CC(C)(C)[C@H](NC(N)=O)C(=O)NNc1ccc(F)c(F)c1	885113966	OZUIDWCYRKATEM-SNVBAGLBSA-N	300.309	1.491	50	20	DDGD	
CN(C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)CCCCl	882008851	YGWFPEIORIDBQW-AGIUHOORSA-N	324.874	1.129	50	20	DDGD	
CC(=NNC(=O)c1c(C)nc2ccccn12)c1cc(C)nn1C	788951584	MIYCMQUYDBETHG-UHFFFAOYSA-N	310.361	1.839	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1F)[C@@H]1CCCS(=O)(=O)C1	885106998	OXFGTTQHVJPXOA-MRVPVSSYSA-N	320.773	1.747	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCC(C)(C)C#N)c1	781953764	MWWKEHQOGMYDCU-UHFFFAOYSA-N	304.350	1.254	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cc(C)cnc2Cl)n1	787453332	KGVAQCQLAVBYHG-UHFFFAOYSA-N	308.729	1.991	50	20	DDGD	
Cc1ccccc1CC(=O)NNc1ccc(-n2ccnc2)nn1	788174710	JKNLOFSCYFOZKY-UHFFFAOYSA-N	308.345	1.657	50	20	DDGD	
O=C1NCC[C@@H]1C(=O)NNc1cc(Br)ccc1F	885149117	LGODGRYCJQXFFB-ZETCQYMHSA-N	316.130	1.167	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1CCC[C@@H](S(C)(=O)=O)C1	788421481	UIPUXSHHAXZMCI-CYBMUJFWSA-N	317.455	1.178	50	20	DDGD	
Cn1cc(NC(=O)NNc2cnccn2)c(C(F)(F)F)n1	782812308	MMSRHULENGSWLV-UHFFFAOYSA-N	301.232	1.378	50	20	DDGD	
O=C(CCc1ccc(O)nc1)NNc1cnc2ccccc2n1	787526303	UJEFRBJMFLZPOU-UHFFFAOYSA-N	309.329	1.806	50	20	DDGD	
Cc1cccnc1C(F)(F)C(=O)NNC(=O)CC(F)(F)F	787876836	CFLRENBUVGWRHC-UHFFFAOYSA-N	311.210	1.582	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=S)NC2(C)CC2)cc1C	789172798	ICVTUMHPMZVJMR-UHFFFAOYSA-N	320.418	1.290	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCC(CC#N)CC1	781802801	NOGDNBRPJRAFHZ-UHFFFAOYSA-N	316.361	1.675	50	20	DDGD	
COc1ncncc1NC(=O)C(=O)NNc1cc(C)cc(C)c1	783358826	BBGPCKMUBCWXTO-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
CC[C@@H](O)[C@H](C)C(=O)NNC(=O)CSc1ccc(C)cc1	899954670	ISJCGUBAELITFS-WCQYABFASA-N	310.419	1.642	50	20	DDGD	
CC(=O)Nc1ccc(CNC(=O)NNc2ccc(F)cn2)cn1	789841783	PUITZFNNDCFXGH-UHFFFAOYSA-N	318.312	1.400	50	20	DDGD	
CO[C@]1(C)C[C@H](NC(=O)NNc2ncncc2Cl)C1(C)C	780998465	LEJGFARTFNHDNC-TVQRCGJNSA-N	313.789	1.960	50	20	DDGD	
CC(C)C(CS(=O)(=O)N(C)C)=NNC(=O)NC1CCCC1	794904006	VVZGHSMVTYGCBB-UHFFFAOYSA-N	318.443	1.132	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNc1cccc(F)c1[N+](=O)[O-]	791148439	YOPIEQLJOHJFHU-UHFFFAOYSA-N	307.285	1.760	50	20	DDGD	
CCO[C@@H]1C[C@H](NCC(=O)NNC(=O)C2CC2)C12CCCCC2	794574680	NQOUBHZSJOAAKQ-UONOGXRCSA-N	323.437	1.261	50	20	DDGD	
CC[C@H](C)n1ncc(NC(=O)C(=O)NNC(=O)C2CCC2)c1C	792265468	BAFNYECHBYTJCX-VIFPVBQESA-N	321.381	1.049	50	20	DDGD	
C[C@H](Oc1ccc(C=NNC(=O)c2ccoc2)cc1)C(=O)O	794898732	AJUUNMVRTPBXHI-JTQLQIEISA-N	302.286	1.895	50	20	DDGD	
C=C[C@H](NNC(=O)c1cc2c(s1)CC[C@H](C)C2)C(=O)OC	799976839	XCKOORNNHXCLOT-ONGXEEELSA-N	308.403	1.835	50	20	DDGD	
Cn1cc2c(n1)CCCC2=NNC(=O)c1ccc2c(c1)OCO2	794456270	PDVYYHCXRSRPJE-UHFFFAOYSA-N	312.329	1.619	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)c2ccccc2)c(O)c1	792789160	VUOMMSHHPUWMIW-UHFFFAOYSA-N	315.329	1.545	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)c1	799858022	KGHMGPKOUITVMP-PKFCDNJMSA-N	322.361	1.278	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc2c1OCC[C@H]2OC	790579545	JZCXXUKRYHAIAL-GFCCVEGCSA-N	322.365	1.854	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)Cc2ccsc2)n1	793220783	PMQFSZLOKYCYSK-UHFFFAOYSA-N	304.375	1.938	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C1=NN(C)C(=O)CC1	798143265	LMUWXKYGRLPTOJ-UHFFFAOYSA-N	324.772	1.305	50	20	DDGD	
CC(=NNC(=O)Cn1nc(C)cc1C)C(C)(C)n1cncn1	794484852	YIELILVDMXGMKV-UHFFFAOYSA-N	303.370	1.019	50	20	DDGD	
CCCOc1ccc(C(=O)NN=Cc2cn(C)cn2)cc1OC	794484512	VSVODKFVIIESAE-UHFFFAOYSA-N	316.361	1.981	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)c3ccccc32)n1	791049619	LZCRDQKIQKJHSW-AWEZNQCLSA-N	323.352	1.911	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc(C)n(CC2CC2)c1C	1318684187	QDSWFFRMQVINBD-UHFFFAOYSA-N	315.377	1.621	50	20	DDGD	
Cc1ccc(C(=O)NNc2cccc(S(C)(=O)=O)c2)c(O)n1	1319845768	MMIZHFDVLJONIW-UHFFFAOYSA-N	321.358	1.256	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H]1CCCCN1Cc1cccnc1	1328017636	VPKAQLINSKBBBZ-OAHLLOKOSA-N	316.405	1.384	50	20	DDGD	
CN[C@@H](C)CCNC(=O)NNC(=O)c1cc2ccccc2o1	1325324677	SKOQZWCUQIQNPB-JTQLQIEISA-N	304.350	1.375	50	20	DDGD	
CN[C@@H](C)CCNC(=O)NNc1ccc(F)c(C(=O)OC)c1	1331454688	AFJUGQJSGOUQOX-VIFPVBQESA-N	312.345	1.236	50	20	DDGD	
CC[C@H](C(=O)NNc1ccn(C)n1)N(C)C(=O)OC(C)(C)C	1331121901	YUILFLDVGXXGOH-SNVBAGLBSA-N	311.386	1.509	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)NCc2ccco2)C[C@H]1Br	1331068412	SVPMYADFIXNEQV-SKDRFNHKSA-N	315.167	1.186	50	20	DDGD	
CCc1cnccc1[C@H](C)NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	1332090172	OYBUFXHZRMLVER-COPLHBTASA-N	320.393	1.460	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1F)Nc1ccc(Br)cc1	1348612965	YQSGZLRUGIWRNG-BDAKNGLRSA-N	316.130	1.960	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(C)n1C1CC1	1261499546	NUBHWENNEFXBHT-YPMHNXCESA-N	305.378	1.626	50	20	DDGD	
O=C(CSc1nc2ccccc2[nH]1)NNC(=O)NCC1CC1	1341200882	JVGXHGHAZDIQOZ-UHFFFAOYSA-N	319.390	1.395	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc(-c2cn[nH]c2)cc1	1348132198	VTLOPDGUKHHSGR-UHFFFAOYSA-N	314.345	1.264	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@H]2CCCc3n[nH]cc32)c1	1608935840	LLDGFIVPQCTJFF-LLVKDONJSA-N	300.318	1.671	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccc(CC(=O)O)cc1)[C@@H]1CCCO1	1604068390	PPKJTZBFNBZICM-FZMZJTMJSA-N	306.362	1.962	50	20	DDGD	
O=C(O)c1ccccc1C(=O)NNc1ccc2c(=O)[nH]ccc2c1	1602464370	GNYXBHLYANZLKA-UHFFFAOYSA-N	323.308	1.983	50	20	DDGD	
CN1CCC[C@@H]1CNC(=O)NNc1ccc(C(=O)O)cc1F	1606229049	VVCKYEGDQZUDJD-SNVBAGLBSA-N	310.329	1.244	50	20	DDGD	
CC1=C(C(=O)NNc2ccc(C(=O)O)cc2F)SCCO1	1604607798	MCZYIBCLBMYRAS-UHFFFAOYSA-N	312.322	1.962	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)C2(F)CCOCC2)cc1Cl	1608904002	DBJRUJIOORUHKY-UHFFFAOYSA-N	316.716	2.000	50	20	DDGD	
CCCn1cc(C(=O)NNc2ccc(CC(=O)O)cc2)cn1	1605384733	BVCBXWUFRBPZRR-UHFFFAOYSA-N	302.334	1.677	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)c2ccc(-c3nn[nH]n3)c(O)c2)c1	1605647329	QDZFVUGKCGAQGC-UHFFFAOYSA-N	324.344	1.946	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)CC1(C(=O)O)CCCCC1	1604919136	PWSHBGVHVARKDW-JTQLQIEISA-N	320.411	1.018	50	20	DDGD	
N[C@H]1CCC[C@@H](NC(=O)NNc2ccc(F)c(C(=O)O)c2)C1	1601179042	FAMDEWSHOGTADE-DTWKUNHWSA-N	310.329	1.420	50	20	DDGD	
CCOCC(=O)NN=Cc1ccc(N2CCC(C(=O)O)CC2)o1	1603835246	VLESOWNAKQMUCY-UHFFFAOYSA-N	323.349	1.067	50	20	DDGD	
CC(C)(CC=NNC(=O)COc1ccccc1C#N)C(=O)O	1609673966	CXMWBYUNUGTOQT-UHFFFAOYSA-N	303.318	1.540	50	20	DDGD	
O=C(O)CC[C@@H](NCc1ccccc1B(O)O)c1ccccc1	1601973485	ZARJCHDFPRSFKM-MRXNPFEDSA-N	313.162	1.062	50	20	DDGD	
O=C(NNc1cnccn1)Nc1cc(C(=O)O)c2cc[nH]c2c1	1608484259	OUMGKTATVNBFAF-UHFFFAOYSA-N	312.289	1.805	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNc1cccc(C(=O)O)c1C	1600808757	YOXOFZCBLNWUSL-UHFFFAOYSA-N	303.318	1.984	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(-c2nn[nH]n2)cc1)C(F)(F)F	1609375713	NGMWKWTVXTYHNR-LURJTMIESA-N	315.259	1.444	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)[C@@H]2CCn3cncc3C2)cc1	1602127772	YNRMDKYPTFCPCN-GFCCVEGCSA-N	314.345	1.216	50	20	DDGD	
CC[C@H](C)CCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	1604005484	QPXQILNRJVIKTL-JTQLQIEISA-N	316.365	1.454	50	20	DDGD	
CC(C)O[C@@H]1CC(=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)C1(C)C	1549321245	RFIZRFUIFYRCSA-UMVBOHGHSA-N	323.437	1.545	50	20	DDGD	
COCC1CCC(=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)CC1	1549315439	PBXAYDIFNRJLQN-JENMUQSASA-N	309.410	1.158	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@H]1C=NNC(=O)c1ccon1	1553287563	GGUIJKBNKVBDMP-JQWIXIFHSA-N	303.322	1.384	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NN=C[C@H]2CCCO[C@@H]2c2cnn(C)c2)O1	1552672407	KNIAEXXGWMCJHW-GBOPCIDUSA-N	320.393	1.557	50	20	DDGD	
CC(C)(C)[C@H](N)C(=O)NNC(=O)c1cccc(OC(F)F)c1	1573457713	IZIKVBOSPFKJDB-SNVBAGLBSA-N	315.320	1.422	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2CC[C@H]2C(=O)O)c1	1574397648	XSASECKFGBIHAK-GHMZBOCLSA-N	307.375	1.423	50	20	DDGD	
CCc1csc(NC(=O)NNc2ncccc2C(=O)O)n1	1573963383	RMHIDELZVOKKGP-UHFFFAOYSA-N	307.335	1.947	50	20	DDGD	
COCC[C@@H](N)C(=O)NNc1c(C)cccc1Br	1573977569	GVIYFQIUGRJYNE-SNVBAGLBSA-N	316.199	1.564	50	20	DDGD	
C/C(=C/C1CCC(C)CC1)C(=O)NNC(=O)C1CCNCC1	1574972819	MIWGJSFKPKYWTF-QBFSEMIESA-N	307.438	1.906	50	20	DDGD	
Cc1c(NNC(=O)[C@@]2(C)C[C@@H](N)CCO2)cccc1[N+](=O)[O-]	1579541188	JZZHRZCDQYVPRX-IINYFYTJSA-N	308.338	1.243	50	20	DDGD	
O=C(NNc1ccc(Br)cc1)[C@@H]1[C@H]2CCNC[C@H]21	1580737085	JSUGYRDVCOEIKX-QJPTWQEYSA-N	310.195	1.748	50	20	DDGD	
NCCCCCC(=O)NNC(=O)CCc1cc(F)ccc1F	1580292862	WVHDVHYTPDGZIN-UHFFFAOYSA-N	313.348	1.564	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NC[C@@]1(C(=O)O)CCOC1	1589700541	ZBYSOHILIYQBEQ-UFBFGSQYSA-N	322.199	1.404	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@H]1C(=O)NNc1ccc(C(=O)O)c(F)c1	1594195875	DIKSIRDEMPNEIF-LDYMZIIASA-N	308.309	1.972	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccc(C(=O)O)[nH]2)cc1	1599594663	XGLVOXIQJBAUFA-UHFFFAOYSA-N	318.289	1.188	50	20	DDGD	
COc1ccccc1NNC(=O)c1cc(-c2nn[nH]n2)[nH]c1C	1591651608	FOSFFHMORRPRAB-UHFFFAOYSA-N	313.321	1.269	50	20	DDGD	
CCOC[C@H](C(=O)O)N(C)S(=O)(=O)CC(C)(C)CCl	1596883796	CYYRPEQVAAKCMY-SECBINFHSA-N	315.819	1.003	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@H]1CCO[C@H](C)C1	1599376613	XGNLXUUEGJGFPC-ZJUUUORDSA-N	308.334	1.652	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)CCCC(=O)O)cc1	1593710895	OJVKHRAJUNTGJJ-UHFFFAOYSA-N	308.338	1.160	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@H]1CC[C@H]1C(=O)O	1593766170	GZBXXZFIWWUCIN-NWDGAFQWSA-N	306.318	1.397	50	20	DDGD	
C[N+](C)(C)CC(=O)NN=Cc1cc(C(=O)O)c(Cl)s1	1776011783	NTKYHAIEYMTYHH-UHFFFAOYSA-O	304.779	1.256	50	20	DDGD	
COc1cc(C(=O)O)ccc1C=NNC(=O)c1ccccc1O	1776017543	JIILAUNSPNVMKI-UHFFFAOYSA-N	314.297	1.863	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CCCCO2)ccc1C(=O)O	1776077741	WJCLEKMJOUPNRJ-GFCCVEGCSA-N	306.318	1.413	50	20	DDGD	
CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(Cl)Cl)C1	1782214937	DUGUGUXEWHKRPY-ZWNOBZJWSA-N	323.220	1.324	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	161450194	QKRWKHORZKERSA-MJBXVCDLSA-N	315.373	1.588	50	20	DDGD	
Cn1ccnc(NNC(=O)c2cc(F)cc3cccnc23)c1=O	158554282	UNHXWCVUMRUJAH-UHFFFAOYSA-N	313.292	1.225	50	20	DDGD	
COc1ccc(CNC(=O)/C(C#N)=C/c2cn(C)nc2C)cc1	158821370	ODINOUMGYKDYGJ-RIYZIHGNSA-N	310.357	1.961	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NNC(=O)C(C)(C)C)C1	160296446	XZTCQLUNFDNIFJ-VXGBXAGGSA-N	311.426	1.465	50	20	DDGD	
Cc1cc(F)cc2c(=O)c(C(=O)NNc3cnccn3)c[nH]c12	151826809	QDTMQDVQZRCKNB-UHFFFAOYSA-N	313.292	1.523	50	20	DDGD	
Cc1cc(C(=O)NNc2nccc(N3CCOCC3)n2)c(C)o1	155541000	FKYIZOAFYKVOKI-UHFFFAOYSA-N	317.349	1.280	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)Nc2ccc(C)c(F)c2)n1	156255572	BROVFXGQMZEXGS-UHFFFAOYSA-N	317.324	1.623	50	20	DDGD	
COc1cccc([C@@H](O)CNS(=O)(=O)CCCCCl)c1	154331699	OLWRXFTWEHNQFM-ZDUSSCGKSA-N	321.826	1.667	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Cc1cccs1	6248981	DOQKYVTUXAPARX-UHFFFAOYSA-N	304.371	1.689	50	20	DDGD	
O=C(Cc1csc(-c2ccoc2)n1)NNc1cnccn1	172410060	UKVKGKVSYZSCJT-UHFFFAOYSA-N	301.331	1.879	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C(C)C)[nH]c2c1C(=O)CC(C)(C)C2	24587883	FOLKOAXCQPPUTL-UHFFFAOYSA-N	305.378	1.895	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)CC1CCOCC1	117411492	VKYNPKSZULXTOD-UHFFFAOYSA-N	320.389	1.592	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)Nc1ccncc1	106251960	YPHCJJNGZKSEAC-UHFFFAOYSA-N	300.318	1.573	50	20	DDGD	
O=C(NCCN1CCc2ccccc2C1)NNc1cccnn1	172485457	IFEHCEKHFPIXEW-UHFFFAOYSA-N	312.377	1.161	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc(NC(=O)C2CC2)cc1	10160230	YIZROGNTDMOSPW-UHFFFAOYSA-N	303.362	1.842	50	20	DDGD	
CCOC(=O)NNC(=O)C1CCN(Cc2ccccc2)CC1	57139171	ZITSHZMSBHTVIL-UHFFFAOYSA-N	305.378	1.676	50	20	DDGD	
C#CCN1CCC(C(=O)NNc2cccc([N+](=O)[O-])c2)CC1	178841277	FUTPPVWQDPBJJA-UHFFFAOYSA-N	302.334	1.383	50	20	DDGD	
CCOC(=O)NNC(=O)c1c[nH]c(=S)n1-c1ccccc1	21772382	CQOGDCJBWMYSKU-UHFFFAOYSA-N	306.347	1.926	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)s1	170633491	FJRDWGAKPROZMI-UHFFFAOYSA-N	321.358	1.095	50	20	DDGD	
COc1ccc(NNC(=O)c2cnn3c2NC[C@H](C)C3)nc1	1349491304	AIFZWIHMUVAOAH-VIFPVBQESA-N	302.338	1.105	50	20	DDGD	
CCn1cc(NC(=O)NNC(=O)c2ccccc2OC)cn1	67454697	WIHLNOMCMQRHNN-UHFFFAOYSA-N	303.322	1.378	50	20	DDGD	
O=C(NNC(=O)c1csc(Cc2ccccc2)n1)NC1CC1	68266674	RWUHXZQLSCBMTI-UHFFFAOYSA-N	316.386	1.840	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(-n2cccn2)cc1	68266472	HTEZKODRVLJMQP-UHFFFAOYSA-N	301.350	1.616	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C2CC2)cnn1-c1ccccc1F	29509597	SKPHVYHHZOAVSU-UHFFFAOYSA-N	302.309	1.491	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC2CCCC2)cc1[N+](=O)[O-]	65918915	CMPAZKZATJOCOU-UHFFFAOYSA-N	306.322	1.790	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NOCc2cccnc2)nn1	126965011	ZRKRZKJYASLCDS-UHFFFAOYSA-N	316.365	1.927	50	20	DDGD	
Cc1c(F)cccc1NC(=O)C(=O)NNC(=O)CC(C)(C)C	126188864	XFHSBUJDLBHKSV-UHFFFAOYSA-N	309.341	1.656	50	20	DDGD	
O=C(CC1(O)CCCC1)NNc1ccc(C(F)(F)F)nn1	124148623	YZLNQINPSBSSFR-UHFFFAOYSA-N	304.272	1.634	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)Cc2ccccc2F)[nH]n1	66839818	KAEFHXZOADKJRD-UHFFFAOYSA-N	304.325	1.505	50	20	DDGD	
CC(C)[C@@H](NC1CCOCC1)C(=O)NNc1ccc(C#N)cc1	120023225	LQXYHDAHMKWBJD-MRXNPFEDSA-N	316.405	1.795	50	20	DDGD	
CC(C)OCCNC(=O)NNC(=O)c1cccc2ncccc12	184174819	VNBHCAWJYADWOU-UHFFFAOYSA-N	316.361	1.604	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(-n2cccn2)nn1)C1CCC1	128019996	PVJFVEQVRIEAMZ-JTQLQIEISA-N	301.354	1.477	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)Nc1nc2ccccn2n1	121428623	GUFFVCQBKKGENU-UHFFFAOYSA-N	320.316	1.821	50	20	DDGD	
CSc1cc(C(=O)NNC(=O)NCc2ccco2)ccn1	122755505	CAGGWDVPYUNSPV-UHFFFAOYSA-N	306.347	1.541	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNc1nccc(N(CC)CC)n1	181430963	CKXOJNUYHMOQKO-UHFFFAOYSA-N	317.397	1.376	50	20	DDGD	
N#CC(C#N)=CNNC(=O)COc1ccc(Cl)cc1Cl	78608006	GCAIPLSGEHFUBN-UHFFFAOYSA-N	311.128	1.924	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CSc2nncs2)cc1	126820637	YIYMOWJEPBFGOR-UHFFFAOYSA-N	322.415	1.654	50	20	DDGD	
O=C(Cc1cccc(Br)c1)NNC(=O)c1ccc[nH]1	124313415	VJXMWIATZSKFFO-UHFFFAOYSA-N	322.162	1.781	50	20	DDGD	
CCn1c(NNC(=O)c2ncoc2C)nc2ccccc2c1=O	128369671	RECPSFUAGMPTAW-UHFFFAOYSA-N	313.317	1.470	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(F)cn2)c([N+](=O)[O-])c1	184416193	HBPZYMYCLFXRPC-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
COCCOc1cccc(CC(=O)NNc2ccnc(F)c2)c1	182527145	VQSIXROVMWVTKK-UHFFFAOYSA-N	319.336	1.932	50	20	DDGD	
CN1CCC(C(=O)NNC(=O)c2cccc3ncccc23)CC1	73455550	JCHOVAQHIVTDRV-UHFFFAOYSA-N	312.373	1.338	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1c(F)cccc1F	49124754	GLKYMSFBXTXXOZ-UHFFFAOYSA-N	307.322	1.257	50	20	DDGD	
CS(=O)(=O)c1ccccc1NC(=O)NNc1ccccn1	180111401	SGVMJHKOUVDJCU-UHFFFAOYSA-N	306.347	1.634	50	20	DDGD	
CC(C)n1cc(NC(=O)C(=O)NNc2ccc(F)cc2F)cn1	131250648	JSHPFIWNOOILGR-UHFFFAOYSA-N	323.303	1.824	50	20	DDGD	
Cc1ccc(NCCCNC(=O)NNc2cccnn2)nc1	132459452	HWIOJMIZXUMUQD-UHFFFAOYSA-N	301.354	1.308	50	20	DDGD	
Cc1cnn(CCC(=O)NNC(=O)Cc2ccc(F)cc2)c1	80233686	LCHOGXKBQGTPKP-UHFFFAOYSA-N	304.325	1.111	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2c(F)cccc2F)o1	84461435	DKOPZQZEGKWZMV-UHFFFAOYSA-N	316.285	1.490	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCCCC(N)=O)c1C	42927665	ITXNSWQSNGXLPR-XNTDXEJSSA-N	316.405	1.804	50	20	DDGD	
CC(C)(Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccncc1	193904875	ISMRLFMAPOOJIY-UHFFFAOYSA-N	317.320	1.839	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)COc1cc(C)cc(C)c1	132034971	UVAGLEBCCTWMRZ-ZDUSSCGKSA-N	308.378	1.645	50	20	DDGD	
Cc1nnsc1C(=O)NNC(=O)CCCc1ccccc1	190508166	JFYWTIOMSMSRNY-UHFFFAOYSA-N	304.375	1.630	50	20	DDGD	
COc1cc(OC)c(C(=O)NNC(=O)CC(C)C)cc1OC	45592848	CXKQJILLJOPJIJ-UHFFFAOYSA-N	310.350	1.520	50	20	DDGD	
Cc1ccsc1C(=O)NNC(=O)CNC(=O)c1cccs1	195392228	VIASRWNOEFSYQP-UHFFFAOYSA-N	323.399	1.309	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ncc(F)cc2F)cc1	192065904	IUSKDKBAANMPCO-UHFFFAOYSA-N	305.284	1.997	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)/C=C\Sc2ccccc2)[nH]n1	254984855	CZVVCSIUWZDBJQ-FPLPWBNLSA-N	302.359	1.785	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)N[C@H](C)C2CC2)cc1OC	263860626	ARXLULUHSBZJEQ-SECBINFHSA-N	323.418	1.611	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@H]1CCc2nccn2C1	368862314	GGILMSNRJXWNLV-JTQLQIEISA-N	301.306	1.497	50	20	DDGD	
O=S(=O)(CBr)N[C@@H]1CCc2ccccc2OC1	367186640	OFDIOCHOPIRIQZ-SNVBAGLBSA-N	320.208	1.652	50	20	DDGD	
C#C[C@@H](C)NC(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	278026751	AVTPRBVQWGXEJZ-ZJUUUORDSA-N	309.753	1.459	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	279229328	GEUJSSITOSIKRO-SECBINFHSA-N	315.301	1.619	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1	273009865	SATHTEJUBJXCKU-LLVKDONJSA-N	319.365	1.871	50	20	DDGD	
COc1ccc(NNC(=O)C2CN(C(=O)OC(C)(C)C)C2)nc1	275647389	UGFJBQRJPUCXPV-UHFFFAOYSA-N	322.365	1.400	50	20	DDGD	
CC(C)C(=O)Nc1nc(CC(=O)N2CC=C(C#N)CC2)cs1	271147939	UIXDQNLODVJZPN-UHFFFAOYSA-N	318.402	1.962	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H]1CCC[C@H]1CCO	275462773	YYHJIEQHBHSZGF-AAEUAGOBSA-N	321.377	1.190	50	20	DDGD	
Cc1ccc(S(=O)(=O)N2CC=C(C#N)CC2)cc1[N+](=O)[O-]	272832673	QBPJSPIPFDNERB-UHFFFAOYSA-N	307.331	1.748	50	20	DDGD	
COC(=O)NNC(=O)CCNc1cc(Cl)ccc1OC	274168309	AOAQXCMHJKCEJP-UHFFFAOYSA-N	301.730	1.538	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H]1CCCO[C@@H]1c1nccn1CC	275762267	ZTTSSDWMWIRYPN-GHYUOPHCSA-N	318.377	1.683	50	20	DDGD	
COc1ccnc(NNC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)n1	272971346	JIKDJLWJWAVMFK-NEPJUHHUSA-N	308.382	1.770	50	20	DDGD	
COC1(CC(=O)NNC(=O)c2cccc(N(C)C)c2)CCC1	276745194	WUOYXZOAZIMXSU-UHFFFAOYSA-N	305.378	1.473	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Nc1cc(C)cc(C)n1	285306154	WEXSGOLRSIVHBD-UHFFFAOYSA-N	324.381	1.640	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2CC[C@H](C(=O)OC)CC2)n1	280774143	ZWOQPSPCXYBYAZ-XYPYZODXSA-N	322.365	1.216	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C1(OC)CCOCC1)c1ccccc1	283923130	JUMQOLXBWKODQB-CQSZACIVSA-N	320.389	1.523	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCCN(C(N)=O)CC1	374734663	INQNBZVWDVWQLS-SECBINFHSA-N	320.231	1.409	50	20	DDGD	
CCOCC1(C(=O)NNc2ncc(C(=O)OCC)c(C)n2)CC1	282482563	WZWMNEZJEYVXJO-UHFFFAOYSA-N	322.365	1.222	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@@H]2C[C@@]23CCOC3)cc1	372058864	VVHQERVPWZYIBE-XJKSGUPXSA-N	318.377	1.332	50	20	DDGD	
COCCN(C)NC(=O)c1cccc(NC(=O)c2ccco2)c1	288597657	SWVBHYGVKCTEOG-UHFFFAOYSA-N	317.345	1.755	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc2oc(=O)[nH]c2c1)C1CC1	287199850	UUEKDZIXNHKSMD-ZETCQYMHSA-N	320.374	1.029	50	20	DDGD	
CCOCC1(C(=O)NNc2ccc(C(F)(F)F)nn2)CC1	281919377	JJESRWRVLGAREV-UHFFFAOYSA-N	304.272	1.755	50	20	DDGD	
Cc1cc(F)cc(C)c1S(=O)(=O)NNC(=O)C(C)(C)C	282023532	QROVQHLIAFMHNN-UHFFFAOYSA-N	302.371	1.798	50	20	DDGD	
O=C(CCOCc1ccccc1)NNC(=O)N=c1cc[nH]cc1	802035296	AKMHUVYYMCRJBR-UHFFFAOYSA-N	314.345	1.263	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Nc1ccc2c(c1)OCO2)c1ccco1	802106115	RVZTXCHAHFZTTF-VIFPVBQESA-N	317.301	1.965	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)N[C@H]2CC2(C)C)nc2ccccc21	299033331	CUWPOWGOLUDBNE-LBPRGKRZSA-N	315.377	1.245	50	20	DDGD	
COCc1ncc(C(=O)NNC(=O)c2cccc(C)n2)s1	803236913	TXVYTFGXHOVRRW-UHFFFAOYSA-N	306.347	1.068	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)[C@H]1Cc2ccc(F)cc21	804955235	OTVQDJAILSILIA-ZDUSSCGKSA-N	324.319	1.584	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1	298726849	XPTMCVFHEPZPFB-GFCCVEGCSA-N	309.322	1.637	50	20	DDGD	
CC(C)n1cc(C(=O)NNc2ccc(-n3ccnc3)nn2)cn1	804954960	JWCJSTNPONGZSX-UHFFFAOYSA-N	312.337	1.197	50	20	DDGD	
CCOCC(C)(C)CNC(=O)NNc1nc2ccccn2n1	291863582	OZIRWZOWJQGCDU-UHFFFAOYSA-N	306.370	1.418	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)[C@H]1CCCc2cccnc21	295292131	DLCDLHYPTOTVFF-QWHCGFSZSA-N	303.362	1.218	50	20	DDGD	
Cc1ccc(F)cc1S(=O)(=O)NNC(=O)[C@@H]1CCCCO1	296846542	XRTWQHQKZFXAEZ-NSHDSACASA-N	316.354	1.013	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCC2(O)CCOCC2)cc1	297921741	JBYKLPCIHZCHKU-UHFFFAOYSA-N	323.393	1.643	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H]1CCCN1Cc1ccccc1	299045666	NKLWJJUAZFNNPF-OAHLLOKOSA-N	303.406	1.845	50	20	DDGD	
O=C(NCCCO[C@@H]1CCOC1)NNc1ncc(F)cc1F	297949442	MJONYUBZOIVQBX-SNVBAGLBSA-N	316.308	1.182	50	20	DDGD	
O=C(NNc1nnc[nH]1)c1ccc(OC[C@@H]2CCCO2)cc1	294054854	XIHOGUGQGIWSCG-LBPRGKRZSA-N	303.322	1.119	50	20	DDGD	
CS(=O)(=O)c1ccc(C(=O)NNc2ncccc2F)cc1	804215658	ACPLMXMSUMGIFG-UHFFFAOYSA-N	309.322	1.381	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccnc(N2CCC[C@H](C)C2)c1	291055606	AEXPQRNASLINHL-LBPRGKRZSA-N	319.409	1.624	50	20	DDGD	
CC[C@H](C)[C@H](CNC(=O)NNC(=O)Cc1ccncc1)OC	297715016	IGOAYTGAKCNUBC-AAEUAGOBSA-N	308.382	1.016	50	20	DDGD	
CC1=C(C(=O)NNc2ccc(-n3ccnc3)nn2)SCCO1	804958232	PHRHWHKCGXPGCU-UHFFFAOYSA-N	318.362	1.100	50	20	DDGD	
C[C@H](Cn1ccc2ccccc21)C(=O)NNC(=O)[C@@H]1CCCO1	294670497	OUAPOYKPUJPRBN-DOMZBBRYSA-N	315.373	1.604	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCOC[C@H](O)C2)cc1	296264975	PJUFMTYIPCDQRC-AAWPKVBNSA-N	316.357	1.212	50	20	DDGD	
Cc1cnc(COCC(=O)NNc2ccc([N+](=O)[O-])cc2)o1	802823069	IYRUFUGTWCGZQD-UHFFFAOYSA-N	306.278	1.551	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CC23CCCC3)cc1	801105782	KHWFJAXIKJOGDY-ZDUSSCGKSA-N	315.373	1.661	50	20	DDGD	
Cc1cc(N2C[C@@H](C(=O)NN(C)C3CC3)CC2=O)ccc1F	819649706	IWMJXHMZXIZUEX-NSHDSACASA-N	305.353	1.612	50	20	DDGD	
Cn1c(CC(=O)NN=C[C@H]2CCCOC2)nc2ccccc21	814737821	LSBOPEWZESDPGH-GFCCVEGCSA-N	300.362	1.644	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1CCCCCC(=O)C1	813447161	POIALSNZNVERQH-GFCCVEGCSA-N	318.373	1.996	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccnnc2)s1	817693549	QQLVEUNCAJLCNK-UHFFFAOYSA-N	304.375	1.910	50	20	DDGD	
COCc1cc(C=NNC(=O)Nc2ccc3c(c2)OCO3)no1	814993025	NHTWEPVIOXOMAY-UHFFFAOYSA-N	318.289	1.705	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2cccnc2OC)ccc1C	816687087	NKUSPPDPAOWPEW-UHFFFAOYSA-N	315.329	1.942	50	20	DDGD	
COC(=O)c1cc(C(=O)NNC(=O)c2cccc(Cl)c2)c[nH]1	814211515	IDRUDFINCIZPNP-UHFFFAOYSA-N	321.720	1.530	50	20	DDGD	
CC(=NNC(=O)[C@H](C)Oc1ccccc1F)c1cnnn1C	814748497	NIFSNEBRIUZEID-JTQLQIEISA-N	305.313	1.262	50	20	DDGD	
Cc1cccc(C(=O)NN=C2CCN(CC(C)(C)O)CC2)n1	814230733	XYKTXWWTHAQHFA-UHFFFAOYSA-N	304.394	1.343	50	20	DDGD	
Cc1nn(C(C)(C)C)c(C)c1C(=O)NNc1ncncc1F	817080698	YLCSYBZIWXMXMH-UHFFFAOYSA-N	306.345	1.941	50	20	DDGD	
Cn1ncc(C=NNC(=O)COCc2ccccc2)c1Cl	814856018	ZZIFMBXGOVHCJO-UHFFFAOYSA-N	306.753	1.740	50	20	DDGD	
CC(C)[C@H]1C[C@H](C(=O)NNC(=O)c2cccc(F)n2)CCO1	826695963	SJJQVKARLFKXFY-ZYHUDNBSSA-N	309.341	1.433	50	20	DDGD	
CC(=NNC(=O)C1CCN(c2ncccn2)CC1)c1ccco1	728783509	TUUOTZORTSJPMS-UHFFFAOYSA-N	313.361	1.826	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)NNc1ccncn1	496126992	WMDCICNERMPTPT-MNOVXSKESA-N	321.381	1.613	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C/c1csc(N(C(C)=O)C2CC2)n1	490664320	PMGNVNBLHFRNFP-YRNVUSSQSA-N	316.386	1.868	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H]1CCN(CC(F)F)C1	491104229	NBHDIUSTWIONNP-FFXRNRBCSA-N	321.327	1.755	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H](C)N(C)C)cc1F	822653691	YYSOPQOVSIKEKM-MRVPVSSYSA-N	314.386	1.102	50	20	DDGD	
CCCNC(=O)Nc1ccc(CC(=O)NN(C)C(=O)OC)cc1	495825377	OZXUEAKMGGLZIK-UHFFFAOYSA-N	322.365	1.490	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cncc(N2CCOCC2)c1	494003062	WQOVWQJWXWTJKA-UHFFFAOYSA-N	322.365	1.088	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)/C=C/c2cccc(O)c2)nc1	493739902	MQEOMMRPSPTHRJ-VMPITWQZSA-N	313.313	1.730	50	20	DDGD	
CN(C)CC(=O)NN=C1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C	496369159	XZQKPLILYZDICT-SNVBAGLBSA-N	312.414	1.343	50	20	DDGD	
CN([C@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)CCl	725351556	OBVNJDNLBXLHNO-VIFPVBQESA-N	312.819	1.454	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)NC(C)C)cc1F	726484897	KFOWSMVZICHTTD-UHFFFAOYSA-N	300.359	1.743	50	20	DDGD	
CCc1ccc(Br)cc1C(=O)NN(C)[C@@H](C)CO	823384116	BZPMRUQWQNWTJL-VIFPVBQESA-N	315.211	1.969	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCCC[C@H]1C(=O)NCC(F)F	491053762	ZCTRJZIYVSPESC-JUDLJHIGSA-N	315.320	1.193	50	20	DDGD	
CC(C)COc1cccc(OCC(=O)N2CC[C@@H](B(O)O)C2)c1	585063506	AWHKXVJKPPJTQG-CYBMUJFWSA-N	321.182	1.176	50	20	DDGD	
CCCN(CC)C(=O)c1ccc(C(=O)NN(CC)CCO)cc1	823856194	MOBSAYFLAFBKQB-UHFFFAOYSA-N	321.421	1.518	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@]1(C)CCOc2ccccc21	823476432	XXUBBTOYQXBLJL-XWCIJXRUSA-N	318.373	1.299	50	20	DDGD	
COc1ccc(NC(=O)NN(C)C2CC2)cc1N1CCOC1=O	497216469	WKLGHWGCDSSVCV-UHFFFAOYSA-N	320.349	1.783	50	20	DDGD	
Cc1cccc([C@@H](C)NCc2ccc(B(O)O)cc2F)c1C	585023068	CFWNOIIVBNVMQT-CYBMUJFWSA-N	301.170	1.973	50	20	DDGD	
O=C(NNc1nccc2sccc12)[C@H]1CCS(=O)(=O)C1	734250378	WSTUHCPLXHUNTE-QMMMGPOBSA-N	311.388	1.174	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1ccc2c(c1)CCC(=O)N2	735413137	GOCNDZMMMHYKFC-UHFFFAOYSA-N	311.345	1.459	50	20	DDGD	
C[C@]1(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C[C@H]1Br	906662689	YPHUSCMGSXBHHZ-LOWVWBTDSA-N	312.211	1.359	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H](C)C2CCC2)c(OC)c1	837400644	VUKZBTOICWIKOK-JTQLQIEISA-N	306.362	1.901	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H]2Br)CCS(=O)(=O)C1	907752734	IMPLMWHCIIEERA-YWVKMMECSA-N	324.240	1.053	50	20	DDGD	
OB(O)c1ccccc1CN[C@H]1CCN(C2CCCCCC2)C1	585022286	LRMMJMQQFIFCHZ-INIZCTEOSA-N	316.254	1.253	50	20	DDGD	
Cn1nc2c(c1C(=O)NNc1nc(-c3ccccc3)no1)CCC2	906637657	QCZDSCAHYQJLGA-UHFFFAOYSA-N	324.344	1.716	50	20	DDGD	
CC(C)[C@@H]1N(C(=O)c2ccc(B(O)O)c(F)c2)CC12CCCC2	584998654	GIRMHBXIOPCFKM-HNNXBMFYSA-N	319.185	1.546	50	20	DDGD	
COC[C@H](C)CC(=O)NNc1cccc(Br)n1	837211062	DLJTVAKWIYPLJH-MRVPVSSYSA-N	302.172	1.960	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(Cn3cncn3)cc2)nc(C)n1	736718417	FTHLHSFLKJRKGJ-UHFFFAOYSA-N	323.360	1.490	50	20	DDGD	
O=C(NNS(=O)(=O)N1CCc2ccccc2C1)C1CCCC1	732746702	CUHMUKLKLQGCAA-UHFFFAOYSA-N	323.418	1.101	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCOCC(F)F)c1F	837060878	IBXYDWMZFWVLIW-UHFFFAOYSA-N	320.267	1.727	50	20	DDGD	
CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(B(O)O)cc1	584927615	ACLRUJNSSCILNA-AWEZNQCLSA-N	315.203	1.578	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=C1CCN(Cc2ccccc2)C1	839384212	HANRDMJIXONECN-UHFFFAOYSA-O	309.393	1.352	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CCc1ccc(C(=O)O)cc1	736262492	IUKVAZLUWXYBKT-UHFFFAOYSA-N	323.418	1.611	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)Cc1ccc(Cl)cc1	834930798	NBRVFGMNJTVNHA-UHFFFAOYSA-N	305.769	1.953	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)[C@@H]1Cc2ccccc2O1	732110981	VMPLZDJVMRINOP-ZDUSSCGKSA-N	323.312	1.578	50	20	DDGD	
CC[C@H](C)[C@H](C=NNC(=O)c1ccc(-n2cnnn2)cc1)OC	834930927	OXDMDHXUDPHGNU-FZMZJTMJSA-N	316.365	1.439	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)NCC(C1CC1)C1CC1	838500040	UDTIIZVAUZXJMH-UHFFFAOYSA-N	303.366	1.275	50	20	DDGD	
C=C1CCN(CC(=O)NNC(=O)c2cccc(Cl)c2)CC1	731033137	UQZWZCYJMFRYEQ-UHFFFAOYSA-N	307.781	1.753	50	20	DDGD	
O=C(NNc1nc[nH]n1)[C@@H]1C[C@H]1c1ccc(Br)cc1	839769405	LGQNAOXKXALOCD-VHSXEESVSA-N	322.166	1.814	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCCN(C(=O)CC(C)C)CC1	830672619	NTVIEDYEGMPUTJ-WYMLVPIESA-N	307.394	1.537	50	20	DDGD	
O=C(O)[C@@H]1CCC[C@@H](C(=O)NNc2ncccc2[N+](=O)[O-])C1	833183904	LXFDASIIZQFHSO-RKDXNWHRSA-N	308.294	1.324	50	20	DDGD	
Cc1cc(C)c2c(c1)CCC2=NNC(=O)[C@H](C)NS(C)(=O)=O	848405240	DMMAQWGJISKHEE-NSHDSACASA-N	323.418	1.008	50	20	DDGD	
CNCCCNC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	841916083	YWCJNGZJTGHKJL-UHFFFAOYSA-N	322.453	1.533	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1nccnc1NC(=O)C(C)(C)C	742543710	LGJSTZHUSXBEOL-UHFFFAOYSA-N	321.381	1.268	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)c2ccc(Cl)nc2)cc1C1CC1	742047371	BUCVQIVPIKYWLY-UHFFFAOYSA-N	319.752	1.421	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1c[nH]nc1-c1ccsc1	843971143	ORCBWSPQEYMTOQ-WPRPVWTQSA-N	320.374	1.324	50	20	DDGD	
COC(=O)[C@H](NNC(=O)[C@@H]1CCO[C@H]1C)c1ccccc1F	843289582	VGXYZBYCAMQJHU-OPQQBVKSSA-N	310.325	1.086	50	20	DDGD	
O=C(NN=C1CCC[C@@H]1c1ccc(F)cc1)C(=O)NC1CC1	741163310	KLVFTAPSYKUDKZ-CYBMUJFWSA-N	303.337	1.844	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	843658735	GEVLEFJGFBKEAU-HUBLWGQQSA-N	320.389	1.446	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCCc2c(F)cccc2F)n[nH]1	847626831	SPQOTXQURZLSKA-UHFFFAOYSA-N	322.315	1.780	50	20	DDGD	
Cc1nnc(O)c(C(=O)NNc2ccccc2[N+](=O)[O-])c1C	916095302	WILJEVGPHBPUAL-UHFFFAOYSA-N	303.278	1.464	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)Cc2ccc(Cl)cc2)CCN1	841984669	CRPGOYMGJIHNTJ-ZWNOBZJWSA-N	324.812	1.353	50	20	DDGD	
C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)NNC(=O)Cc1cccnc1	743589032	OIOPXGWDSWBEOA-YJBOKZPZSA-N	324.384	1.685	50	20	DDGD	
Cc1ccncc1C(=O)NNC(=O)Cc1cn2ccccc2n1	746553023	CWRWELZBKRUAHO-UHFFFAOYSA-N	309.329	1.041	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F	910165209	HUHLPKCGFGQNPL-NXEZZACHSA-N	320.311	1.817	50	20	DDGD	
CC(=O)N[C@@H](CC(=O)NNc1ncccn1)c1cccs1	913044146	YMBPJRPDTPJLNS-JTQLQIEISA-N	305.363	1.249	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1cccc(N2CCC2=O)c1	842562379	WPCBHBZKOMUFFK-WFASDCNBSA-N	315.373	1.689	50	20	DDGD	
CCS(=O)(=O)CCCNC(=O)[C@@]1(C)C[C@H]1Br	910543693	VREZRWMHZZNXHR-SCZZXKLOSA-N	312.229	1.101	50	20	DDGD	
Cn1ncc2cc(C(=O)NNc3nccnc3Cl)cnc21	747519458	ZMIPSUVDZNJMLU-UHFFFAOYSA-N	303.713	1.169	50	20	DDGD	
CCN1C[C@H](CNC(=O)NNc2c(C)cccc2F)CC1=O	845488924	ATTSNBPUWMYGQP-NSHDSACASA-N	308.357	1.629	50	20	DDGD	
C=C[C@@H](C)ONC(=O)NNC(=O)CCc1ccc(OC)cc1	845635050	XQLNHNFQOVELSU-LLVKDONJSA-N	307.350	1.464	50	20	DDGD	
CO[C@](C)(C(=O)NNc1ncc(Br)cn1)C1CC1	848322726	LZZLMBPKFMTNQE-NSHDSACASA-N	315.171	1.497	50	20	DDGD	
O=C(Cn1cnc2sccc2c1=O)NNc1ccccc1F	748050102	CGCPLXOOCGXKGZ-UHFFFAOYSA-N	318.333	1.740	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)[C@@H]3C[C@H]3CC(C)(C)C)nc21	843798451	MXWAOJYDYVHNRK-DTWKUNHWSA-N	318.381	1.584	50	20	DDGD	
CN(C(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)[C@@H]1COC[C@H]1O	923841166	VGZVFZGXODZUHC-ZZZDWPBISA-N	318.211	1.158	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ncc(C2CCCCC2)s1	756164014	LVPWPSYEUAXWAI-UHFFFAOYSA-N	324.406	1.687	50	20	DDGD	
Cc1cc(NNC(=O)C2CCC(C(=O)N(C)C)CC2)ncn1	857127305	PFRICDUWTRZDHU-UHFFFAOYSA-N	305.382	1.123	50	20	DDGD	
COc1cccc(NCC(=O)NN=Cc2cnc3n2CCC3)c1	853279288	PGLROBCOJNDRNI-UHFFFAOYSA-N	313.361	1.400	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=Cc1cccc(F)c1O	755617872	BCPMBAZDRRDPAG-UHFFFAOYSA-N	322.321	1.008	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2ncc[nH]2)cc1	854221024	DYTYFPCDESGZKL-SNVBAGLBSA-N	318.333	1.037	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1cc(O)ccc1[N+](=O)[O-]	751132425	DHMMOURLXAQIDF-UHFFFAOYSA-N	300.274	1.388	50	20	DDGD	
CC[C@@H]1COCC1=NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C	853377639	ALINYRYDUFPQDR-LALPHHSUSA-N	320.393	1.416	50	20	DDGD	
CCn1c(NNC(=O)c2ccnnc2C)nc2ccccc2c1=O	753421240	OEEWBEZXFZLOCS-UHFFFAOYSA-N	324.344	1.272	50	20	DDGD	
O=C(NN=Cc1ccnn1CC1CC1)c1ccc(O)c(O)c1	853340842	BIKMVRWBYSCEJV-UHFFFAOYSA-N	300.318	1.468	50	20	DDGD	
CC(=O)OCC(C)(C)CC(=O)NNC(=S)N[C@H](C)C1CC1	855098287	FNQZDYXHSHGUGF-SECBINFHSA-N	315.439	1.260	50	20	DDGD	
O=C(CCOC[C@@H]1CCCO1)NNc1ncc(Cl)cn1	857355641	HRGMINWCQZMXOO-JTQLQIEISA-N	300.746	1.159	50	20	DDGD	
CN(C)C(=O)c1ccc(C=NNC(=O)c2ccccc2F)[nH]1	752155299	OPRFRWFVCRRHAF-UHFFFAOYSA-N	302.309	1.620	50	20	DDGD	
COCC1(C(=O)NC[C@]2(C)C[C@@H]2Br)CCNCC1	857007978	ZBSMRPQMMSOCOW-JQWIXIFHSA-N	319.243	1.292	50	20	DDGD	
C[C@H]1CN(Cc2ccccc2)CC1=NNC(=O)c1cnn(C)c1	751528492	HEVFVJRABYSTKQ-ZDUSSCGKSA-N	311.389	1.658	50	20	DDGD	
Cc1ccc(/C=C/C(=O)NNC(=S)N[C@H](C)C2CC2)cn1	855098019	ABTKIJOGGRNYGJ-AYLMVEPYSA-N	304.419	1.697	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O	854666873	AMDOVUVCQGDZDU-OLZOCXBDSA-N	307.394	1.115	50	20	DDGD	
CN(C)N(C(=O)c1ccc(CF)cc1)[C@H]1CCS(=O)(=O)C1	854516842	SSHODEAGCDPORZ-ZDUSSCGKSA-N	314.382	1.262	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1csc([N+](=O)[O-])c1	759300553	GRIZIFJBGFTPIQ-UHFFFAOYSA-N	309.263	1.716	50	20	DDGD	
CC[C@H](C)n1ncc2c(C(=O)NNC(=O)C3CC3)cc(C)nc21	750715447	DZGJKOUKWLSBQW-JTQLQIEISA-N	315.377	1.882	50	20	DDGD	
C[C@@H]1N(C(=O)NNC(=O)c2cccc(F)n2)CCOC1(C)C	852709271	QMWQDCSRZCOFKI-VIFPVBQESA-N	310.329	1.074	50	20	DDGD	
COC(=O)N[C@H](C(=O)NC[C@@]1(C)C[C@@H]1Br)C(C)C	857396264	ADTHTOAXAIPOPQ-HOTUBEGUSA-N	321.215	1.657	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cccc(-c2nc(C)c(C)o2)c1	756192717	RSWOEHLJTXXTRW-UHFFFAOYSA-N	318.333	1.758	50	20	DDGD	
CC(C)C(=O)NNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	852400600	QJNNBJZUEKWKMI-UHFFFAOYSA-N	320.393	1.615	50	20	DDGD	
CC(=O)NNC(=O)c1cccc2c1CN(C(=O)OC(C)(C)C)C2	854155317	JUEZSSWTQLXROJ-UHFFFAOYSA-N	319.361	1.718	50	20	DDGD	
Cn1nnnc1-c1ccc(NC(=O)NNC(=O)C(C)(C)C)cc1	861458418	YCLCXLLTIYMRIP-UHFFFAOYSA-N	317.353	1.076	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ccc2c(c1)CCCO2	863150881	DKGVQWUBQDZQTG-ZDUSSCGKSA-N	301.346	1.130	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCc1ccc(F)cn1	764376001	FDNVQQOLLDTOEQ-UHFFFAOYSA-N	318.308	1.374	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)C(F)(F)C1(O)CCC1	764752520	KOJSBXOLYKLOFY-UHFFFAOYSA-N	314.317	1.685	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)CSc2ccccc2O)n[nH]1	764046357	DGBMKUHUQXYGCO-UHFFFAOYSA-N	320.374	1.231	50	20	DDGD	
CC(C)OC(=O)[C@H](C)N(C)S(=O)(=O)CC(C)(C)CCl	866959908	HBBYELBTZAMLKA-JTQLQIEISA-N	313.847	1.853	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H](C)OC2CCCCCC2)nc1O	761020334	HVPWEIPJBSYNNO-SNVBAGLBSA-N	309.370	1.457	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NN(C)C(=O)OC	861656136	AIUYMFPINAIGFV-SECBINFHSA-N	303.359	1.361	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cc3n(n2)CCCO3)cc1	761398890	GIGIHXGNNCPNIW-UHFFFAOYSA-N	314.345	1.303	50	20	DDGD	
COCCCNC(=O)NN=Cc1cncc(Br)c1	767379455	JNIDECQFTGCPST-UHFFFAOYSA-N	315.171	1.514	50	20	DDGD	
Cc1c(C(=O)NNc2ccnc(N(C)C)n2)cnn1CC(C)C	767150432	WEUFNUKFVCQVSP-UHFFFAOYSA-N	317.397	1.460	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)NCCCOC	767319779	DROOLGJEFCVLKG-OLZOCXBDSA-N	315.414	1.339	50	20	DDGD	
C[C@@H](NNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C(F)(F)F	862322997	OAOAWYSODGVOEL-MUWHJKNJSA-N	307.228	1.200	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H]2[C@H]3CCCCCC[C@H]32)n[nH]1	869019311	USQIZIYUKBMMNI-NHAGDIPZSA-N	304.394	1.624	50	20	DDGD	
CC(C)N1CCN(C(=O)[C@@H](Br)C(C)(C)C)CC1=O	768412693	YSMIYQMLTIFKFD-LLVKDONJSA-N	319.243	1.875	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCCSCCCO	866844057	MOMGSUROHWUQHJ-UHFFFAOYSA-N	303.877	1.286	50	20	DDGD	
COc1cc(OC)c(C(=O)NN[C@H](C)C(F)(F)F)cc1OC	862302892	FDGGLFCVYDDCKN-SSDOTTSWSA-N	322.283	1.898	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccnc(Cl)c2F)cc1	1116414713	XIOSNZFCWWSDAP-UHFFFAOYSA-N	323.711	1.958	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCC2(CCSCC2)CC1	870255268	ZQBPKNACRWMHET-UHFFFAOYSA-N	319.235	1.116	50	20	DDGD	
COCC(=O)NN=C(C)c1ccc(O)c(CN2CCCCC2)c1	761816749	BXNNTGWANQCTFE-UHFFFAOYSA-N	319.405	1.865	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCCC[C@@H]1C(N)=O	767029453	JLPUFDKWWOWXPY-BDAKNGLRSA-N	305.216	1.662	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)C[C@@H](C)OC	762361648	PWLFKHMSMAVCAP-SNVBAGLBSA-N	312.391	1.360	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CSc1ccccc1O	770903669	SJPDYZAPQWOLBQ-VHSXEESVSA-N	310.375	1.057	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)C(F)(F)F	772167469	SNQXCLNSOUUIFF-YUMQZZPRSA-N	312.288	1.310	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1ccncc1C	771714385	XESPJWBQLVEZPJ-UHFFFAOYSA-N	313.357	1.792	50	20	DDGD	
N#CSCCCNC(=O)c1ccc(=O)n(-c2ccccc2)n1	773571332	MSXNLSSUWBCLGL-UHFFFAOYSA-N	314.370	1.567	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)C2CCOCC2)ccnc1Cl	879604825	DBMVLWGVROOZHW-UHFFFAOYSA-N	312.757	1.623	50	20	DDGD	
CCC[C@H]1C[C@@H](C(=O)NNC(=S)NCCSC)CCO1	779948202	SNWMNOOVFWACGN-QWRGUYRKSA-N	319.496	1.440	50	20	DDGD	
C#CCOc1cccc(Cl)c1C=NNC(=O)c1cnccn1	777432285	NAWKLYCBQUTUOZ-UHFFFAOYSA-N	314.732	1.906	50	20	DDGD	
COCCCCNC(=O)NNC(=O)c1nc2ccccc2s1	872827537	SKFHCGLSZHVUGJ-UHFFFAOYSA-N	322.390	1.667	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)NC/C=C/C1CC1	1117791980	SRCIDXHIJJLKSZ-SNAWJCMRSA-N	309.391	1.682	50	20	DDGD	
O=C(NN=Cc1ccc(O[C@@H]2CCOC2)cc1)c1cccnn1	1119301485	AGBYCFNRXURPGO-CQSZACIVSA-N	312.329	1.408	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2cc(C)nc(C)n2)ccc1C	878895786	KEOFOZGYMCOOAP-UHFFFAOYSA-N	314.345	1.945	50	20	DDGD	
O=C(Cc1cc(F)cc2c1OCOC2)NNc1ccccn1	777471581	QXKFYQLIVMZMND-UHFFFAOYSA-N	303.293	1.773	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NNc1ccc(F)cn1	874651906	XBJMUYRZYGTIIN-NSHDSACASA-N	308.357	1.701	50	20	DDGD	
CCCC[C@@](C)(F)C(=O)OCC(=O)NNC(=O)c1ccccc1	1118404063	SNDKKJBRFFQQFI-MRXNPFEDSA-N	324.352	1.909	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cccnc1Br	872383157	ACMFEOYJNLWTKY-WPRPVWTQSA-N	312.167	1.719	50	20	DDGD	
Cc1noc(C)c1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	771894943	ZTGFFPOIKLEYJB-SNVBAGLBSA-N	311.338	1.030	50	20	DDGD	
O=C(NNC(=O)c1nccs1)c1cc(Br)c[nH]1	770104973	NNMJHTREZHLWTB-UHFFFAOYSA-N	315.152	1.309	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@@H]1CCCN1CC(F)F	882439808	RADVDVSBMZOGGH-VIFPVBQESA-N	304.790	1.264	50	20	DDGD	
CCC[C@H]1C[C@@H](C(=O)NNC(=S)NCC2CCC2)CCO1	779902683	TYDWNWCYTHLWRN-STQMWFEESA-N	313.467	1.877	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccnc(C2CC2)c1	772294553	AAVOCYXFQLDDAJ-VIFPVBQESA-N	305.334	1.062	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCc1ccc(C(N)=O)nc1	771332264	ALACYYPRYAMZEL-UHFFFAOYSA-N	317.324	1.454	50	20	DDGD	
Cn1c(CC(=O)NN=Cc2ccc(F)nc2)nc2ccccc21	777424566	RNZOZEACLLEXTR-UHFFFAOYSA-N	311.320	1.800	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCC(=O)c1ccc(F)cc1F	887141974	RARRZSXBTXVDOS-UHFFFAOYSA-N	322.311	1.879	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1ccn(C(F)F)n1	775687161	WFSRTOXKYZKNJB-UHFFFAOYSA-N	308.288	1.672	50	20	DDGD	
C[C@H](CBr)COC(=O)CNC(=O)c1ccccn1	770380251	FYPHRFVHHLZWCQ-SECBINFHSA-N	315.167	1.386	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(C(F)(F)F)ccn1	880157323	DKMVRRFJDHLDLQ-JTQLQIEISA-N	317.267	1.431	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)cc1	780326217	WACFICJCZQUSQI-BPLDGKMQSA-N	320.414	1.660	50	20	DDGD	
COc1cc(NC(C)=O)ccc1C(C)=NNC(=O)C(C)(C)O	785465105	BAPXXUUPCIHDPE-UHFFFAOYSA-N	307.350	1.265	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@@H](O)C2CCCCC2)c1	783608515	HKSTVRNYWKVXIC-AWEZNQCLSA-N	301.346	1.260	50	20	DDGD	
CC1(C)NC(=O)N(CCCOC(=O)/C(C#N)=C/C2CC2)C1=O	786676802	UXWHZFQIOCXHCY-DHZHZOJOSA-N	305.334	1.110	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H]1CC(=O)c2ccccc21	789642658	ZSNOABJQXLWFFR-AWEZNQCLSA-N	324.336	1.826	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@]2(C)CCCOC2)c1	781143141	SIYOBHIQVFWCHE-KRWDZBQOSA-N	320.389	1.646	50	20	DDGD	
CO[C@@H]1CCCN(CC(=O)NNC(=O)c2ccc(C)cc2)CC1	783014378	PIQDUGBTNULPTG-OAHLLOKOSA-N	319.405	1.257	50	20	DDGD	
N#C/C(=C\c1ccccc1)C(=O)OCCCN1CCOCC1	785364299	GUQYBAIZSQHTIV-DTQAZKPQSA-N	300.358	1.859	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1nc2cc(Cl)ccc2n1C	785463303	OUJMYNZMDNFHSH-UHFFFAOYSA-N	308.769	1.838	50	20	DDGD	
CCn1cc(CC(=O)NNc2cc(C#N)cc(Cl)n2)cn1	780977471	NYTBTUMPVVKQFF-UHFFFAOYSA-N	304.741	1.509	50	20	DDGD	
C[C@H](Oc1ccc(C=NNC(=O)c2cccn2C)cc1)C(=O)O	794887816	DRIHDMYUXFVEOW-NSHDSACASA-N	315.329	1.641	50	20	DDGD	
C/C(N)=C(\C#N)c1nc(-c2ccc(S(N)(=O)=O)cc2)cs1	798227519	KGXCAOJMRALLHU-FLIBITNWSA-N	320.399	1.671	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cncc2ccccc12	798316047	HVUWPAAKVSXKGZ-UHFFFAOYSA-N	312.251	1.741	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc(C(F)(F)F)s2)cn1	796528144	DSYVZBGLBHGXFS-UHFFFAOYSA-N	318.280	1.575	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1cc(F)c(F)c(F)c1	790173928	KJUQDOGUUVKUSQ-UHFFFAOYSA-N	314.311	1.785	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1cccc2c1CCO2	797670955	BWDXGEJHPVMNNX-UHFFFAOYSA-N	303.240	1.727	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1NCC(=O)NNC(=O)c1ccc(F)cc1	794575897	OMEMIIAHQKGMPW-RISCZKNCSA-N	307.369	1.755	50	20	DDGD	
CCCCNC(=O)NNC(=O)C1CCC(NC(=O)C2CC2)CC1	793199786	WXLVHDYBFIFXGN-UHFFFAOYSA-N	324.425	1.202	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc(-c3ccco3)[nH]n2)n1	794074328	CZJKLQUJVSIPSC-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
CCOc1cc(/C=C(\C#N)S(N)(=O)=O)cc(Cl)c1O	798231029	DHTWUZSYWVVADJ-FPYGCLRLSA-N	302.739	1.597	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)c2ccc(Cl)nc2)ccc1F	795300540	PKIFDIBUHLHNAH-UHFFFAOYSA-N	318.695	1.821	50	20	DDGD	
C=C(C)C(=O)OCCc1cc2c(cc1C(=O)O)C(=O)OC2=O	100007210	OYFLFTGAHOMJHM-UHFFFAOYSA-N	304.254	1.357	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)CCC(F)(F)F)cc1	1319323729	BZJYRNDQFNVRSU-UHFFFAOYSA-N	317.311	1.640	50	20	DDGD	
C/C(NNC(=O)C[N+](C)(C)C)=C1/C=Cc2ccccc2C1=O	1317675593	ZPFPWWBYTDEBDQ-UHFFFAOYSA-O	300.382	1.497	50	20	DDGD	
Cn1c(=NNC(=O)c2cc[n+]([O-])cc2)sc2ccccc21	1248568495	IBZZZETXGRVEAL-UHFFFAOYSA-N	300.343	1.119	50	20	DDGD	
CC(=O)N(CCC(=O)NNc1ccn(C)n1)Cc1ccccc1	1320980025	AIXHPULBVPOCDI-UHFFFAOYSA-N	315.377	1.302	50	20	DDGD	
CC[C@@H](CSC)NC(=O)NNC(=O)c1ccc(OC)cc1	1324891268	PGXIEVYEWAFULH-NSHDSACASA-N	311.407	1.781	50	20	DDGD	
Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NNC(=S)NC(C)C	1328561159	BMRZJAUODPVNKL-UHFFFAOYSA-N	314.342	1.560	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1[nH]ccc1-c1ccccc1	1328591628	MARUQAMWAKEQFI-AAEUAGOBSA-N	313.357	1.868	50	20	DDGD	
Cn1ccc(NNC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)n1	1320981370	JSVBUCRMUKJLEQ-OAHLLOKOSA-N	313.405	1.775	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccc(C(N)=O)nc2)C[C@H]1Br	1328662664	QHPZOTUOYICJEU-SKDRFNHKSA-N	312.167	1.084	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2cccnn2)c(Cl)c1	1324362379	NJVNUWYGIYNZIJ-UHFFFAOYSA-N	316.708	1.083	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccc([S@@](C)=O)cc2)n1	1330961819	AXAWBVHLUBAFFM-JOCHJYFZSA-N	318.402	1.388	50	20	DDGD	
Nc1ncc(C=NNC(=O)c2cncn2-c2ccccc2)cn1	1254423251	XHZALZJSFVQXEB-UHFFFAOYSA-N	307.317	1.008	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NNC(=O)c1ccccc1Cl	1331965486	UMKXFKMWPBQXOT-LBPRGKRZSA-N	309.797	1.974	50	20	DDGD	
CC(C)(C)OCCCNC(=O)NNc1nncc(N)c1Cl	1333675453	STBAWTJSFWQOPN-UHFFFAOYSA-N	316.793	1.544	50	20	DDGD	
Cc1cccc(NNC(=O)C(=O)Nc2cnc(C3CC3)nc2)n1	1335285424	PIGAAURVPRVHQJ-UHFFFAOYSA-N	312.333	1.139	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCC[C@@H]2OC)cc1OC	1339481446	CJDZTKPOBAVCQI-NEPJUHHUSA-N	322.361	1.280	50	20	DDGD	
Cc1cccnc1NNC(=O)CNC(=O)c1cc(Cl)ccn1	1343612604	ZLCIPZWWYZRBOR-UHFFFAOYSA-N	319.752	1.312	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)C1(C(=O)O)CC2(CCC2)C1	1600760382	PWTBMEXNZOIKQD-UHFFFAOYSA-N	323.374	1.248	50	20	DDGD	
O=C(NC[C@H]1CCCOC1)NNc1cccc(C(=O)O)c1F	1608434060	HINVTYZCRSDSSW-SECBINFHSA-N	311.313	1.577	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2c(F)ccc3c2OCO3)nc1	1602383523	PHSPYHKFEWZLFY-UHFFFAOYSA-N	319.248	1.405	50	20	DDGD	
O=C(NCC1SCCS1)NNc1cccc(C(=O)O)c1	1601489241	LTFAOLMCGDJTDQ-UHFFFAOYSA-N	313.404	1.817	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2cc(F)cc(Cl)c2)O[C@H]1C(=O)O	1607444568	XTUNIKWTTOXBOR-DIMCTHFVSA-N	316.716	1.800	50	20	DDGD	
COCc1nn(C)cc1C(=O)NNc1ccc(C(=O)O)c(F)c1	1606980403	PHJREADTGFZUIG-UHFFFAOYSA-N	322.296	1.161	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNC(=O)c2cc3ccccc3o2)o1	1608875082	LUNFKBHAUUCYRN-UHFFFAOYSA-N	314.253	1.799	50	20	DDGD	
O=C(O)CCCC(=O)NNc1ccc([N+](=O)[O-])cc1Cl	1606136993	YYULLIHYGLJQFW-UHFFFAOYSA-N	301.686	1.946	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNc1ccc(C(=O)O)c(F)c1	1600979107	BBLXEYQSYKYPIW-UHFFFAOYSA-N	305.265	1.188	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccsc1C(=O)O)C1CC1	1604318745	LYHIFIKQGXCPTE-LURJTMIESA-N	313.404	1.354	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2CCOC3(CCCC3)C2)nc1	1608904316	PZJWPHSEYDAQRB-NSHDSACASA-N	319.361	1.962	50	20	DDGD	
COc1cc(C(=O)O)ccc1NC(=O)NNC(=O)C(C)(C)C	1607135252	URFXNEWSUVLHHH-UHFFFAOYSA-N	309.322	1.592	50	20	DDGD	
O=C(NN[C@@H](C(=O)O)c1ccccc1Cl)[C@@H]1CCCCO1	1601557044	GPKSDOYPURHNOX-NWDGAFQWSA-N	312.753	1.656	50	20	DDGD	
COC1(C=NNC(=O)[C@H]2CCCO[C@@H]2c2ccnn2C)CCC1	1549317135	VPMKUWJPFGJKHA-JSGCOSHPSA-N	320.393	1.559	50	20	DDGD	
Cc1ncc2n1CC[C@H](C(=O)NNc1cccc(C(=O)O)c1)C2	1610563717	DMSQIYUUBPRTAQ-NSHDSACASA-N	314.345	1.595	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C=NNC(=O)c1cccnn1	1552925075	GGVOEFDVQNEZHL-DGCLKSJQSA-N	314.349	1.094	50	20	DDGD	
C[C@@H]1OC(C)(C)N[C@H]1C(=O)NNc1nc2ccncc2s1	1576895645	DJEQJHWQVWUAAX-OIBJUYFYSA-N	307.379	1.247	50	20	DDGD	
O=C(O)[C@H]1C[C@@H](NS(=O)(=O)c2ccc(CCCl)cc2)C1	1574784745	YXDLZTLXHYOPSH-PHIMTYICSA-N	317.794	1.609	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2CCN[C@H](C)C2)cc1	1579206301	YHRCIFNVBDYFIC-TZMCWYRMSA-N	319.405	1.163	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)CCN)c2c(C(C)C)noc2n1	1578247105	VMQOLCRFXCETLW-UHFFFAOYSA-N	319.365	1.018	50	20	DDGD	
CCC(=O)N1CCCC12CN(C(=O)CCBr)C2	1842634430	SKTYOGQEUKSIGX-UHFFFAOYSA-N	303.200	1.385	50	20	DDGD	
Cc1cc(C(=O)N2CC3(CCCN3C(=O)[C@H](F)Cl)C2)on1	1843362629	CKYQNFGKXREIKK-JTQLQIEISA-N	315.732	1.334	50	20	DDGD	
C[C@@H](CN)C(=O)N1CCCC12CN(C(=O)C(C)(C)CCl)C2	1842865845	GWOWFOWERHWPCU-NSHDSACASA-N	315.845	1.050	50	20	DDGD	
COc1cccc(NNC(=O)Nc2ccnc(C(=O)O)c2)n1	1594131972	ZMMMMAUOCHERGT-UHFFFAOYSA-N	303.278	1.332	50	20	DDGD	
O=C(NN=Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCS1	1593155384	KTJBKIYGGIXNSK-NSHDSACASA-N	302.363	1.212	50	20	DDGD	
CO[C@@H]1C[C@@H](c2ccccc2)CCC1=NNC(=O)NCC(=O)O	1599100701	RCZSGUFDPXFICT-GXTWGEPZSA-N	319.361	1.709	50	20	DDGD	
COc1ccc(C(Cc2ccccn2)=NNC(=O)C(=O)O)cc1	1599515690	FACJPQDXDBIWOM-UHFFFAOYSA-N	313.313	1.238	50	20	DDGD	
CCC(=NNC(=O)NCC(=O)O)c1cccc(Cl)c1F	1594693727	BVYLPMNOSRIWMJ-UHFFFAOYSA-N	301.705	1.977	50	20	DDGD	
O=C(O)C1=NO[C@H](C(=O)NNc2c(F)cccc2Cl)C1	1594891476	XRRBIXSDPWOPGK-QMMMGPOBSA-N	301.661	1.152	50	20	DDGD	
CNC(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1Br	1598630842	SUAYRXPRXPRBQV-RUDMXATFSA-N	309.119	1.800	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2ccc(C)c(C(=O)O)c2)on1	1598920038	PRCHPYCASLLZCV-UHFFFAOYSA-N	319.273	1.225	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cccc(F)c2C(=O)O)[nH]1	1598959791	KBZGTWPFBROMMP-UHFFFAOYSA-N	321.264	1.396	50	20	DDGD	
C[C@H](OCC(=O)NNc1cccc(C(=O)O)c1)c1nccn1C	1593603468	BACZUKZJUXZBQS-JTQLQIEISA-N	318.333	1.339	50	20	DDGD	
O=C(NN=Cc1cc(C(=O)O)c(Cl)s1)c1ccnnc1	1776081241	FUXFMIZHLLWSFN-UHFFFAOYSA-N	310.722	1.654	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccc(/C=C/C(=O)O)cc1	1776116009	PHRFYAQNEFRWEN-FKEISFMISA-N	301.298	1.881	50	20	DDGD	
C[C@H](CN)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(Cl)Cl)C2	1795962282	XSNAAUGUMFBJFC-DOLQZWNJSA-N	322.236	1.023	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)Cn2cnc3ccccc32)cc1	17405087	HTHNHAPZLSUNHX-UHFFFAOYSA-N	322.368	1.735	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2)[nH]n1)c1cccnc1	17519113	ZOVKDGISTGDERV-UHFFFAOYSA-N	307.313	1.547	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=S)Nc2ccccn2)cc1	161816326	GKTTVECUWZPDJD-UHFFFAOYSA-N	300.387	1.950	50	20	DDGD	
C[C@H](CBr)CN(C)CCCN1CCN(C)CC1	152745336	DKYXQUIUQFJFLB-CYBMUJFWSA-N	306.292	1.587	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)Nc2cc(F)ccc2F)n1	156256114	KVKBOUIXNLKZEO-UHFFFAOYSA-N	321.287	1.453	50	20	DDGD	
CS[C@H](C)CC(=O)NNC(=O)Cc1nc2ccccc2n1C	155404399	AZBMKFRLDZDNCU-SNVBAGLBSA-N	320.418	1.405	50	20	DDGD	
CCOCCOCCNS(=O)(=O)c1ccc(CCl)cc1	921891089	SBWZCXCZBZGDJU-UHFFFAOYSA-N	321.826	1.757	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NC[C@@]1(C)C[C@@H]1Br	857401885	MVVNHMCSMQQVQU-QPUJVOFHSA-N	321.215	1.801	50	20	DDGD	
CC[C@H](CC(=O)NNC(=O)NCCCOC)c1ccccc1	103432346	UCJMDMXFKRXQPI-CYBMUJFWSA-N	307.394	1.937	50	20	DDGD	
CCCCCOCC(=O)NNC(=O)CCc1ccccc1O	106286810	OIRGUGYITDQBEN-UHFFFAOYSA-N	308.378	1.679	50	20	DDGD	
CCCCOCC(=O)NNC(=O)COc1ccc(C)c(C)c1	118304003	IILAGZRTSZAMOE-UHFFFAOYSA-N	308.378	1.646	50	20	DDGD	
CC1CCC(N2C[C@H](C(=O)NNC(=O)C(C)(C)C)CC2=O)CC1	108989357	AVCCGWDXKYXITD-OTTFEQOBSA-N	323.437	1.607	50	20	DDGD	
O=C(COc1ccc(F)cc1F)NNc1ccc(Cl)nn1	172441215	HGXPFLKHOCYALR-UHFFFAOYSA-N	314.679	1.930	50	20	DDGD	
O=C(NNc1cnccn1)c1ccc(NC2CC2)c([N+](=O)[O-])c1	114877862	GZWQMQCMVTWUDA-UHFFFAOYSA-N	314.305	1.716	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(C(C)C)[nH]n2)nc1	179800656	LIUQUESRCBVCSO-UHFFFAOYSA-N	303.322	1.472	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNC(=O)COc1ccc(C#N)cc1	65579449	AUZVIQHGOCAGDO-LBPRGKRZSA-N	319.361	1.290	50	20	DDGD	
COc1ccc(CNS(=O)(=O)CBr)cc1OC	126623487	LJRWVJCIQYVZAK-UHFFFAOYSA-N	324.196	1.476	50	20	DDGD	
COc1c(C)cnc(CNC(=O)NNC(=O)C(C)(C)C)c1C	126382745	UKBNGBIERIXZHT-UHFFFAOYSA-N	308.382	1.584	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2sccc2C)c1	73315290	MWLOAFYKSRTSOH-UHFFFAOYSA-N	319.386	1.938	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cnc(C(F)(F)F)nc1	122487649	OCUXYXGNCHZJBL-UHFFFAOYSA-N	306.244	1.665	50	20	DDGD	
CCOc1cc(F)ccc1NC(=O)NNC(=O)Cc1cc[nH]n1	184138859	OFFQHICSGOJSCL-UHFFFAOYSA-N	321.312	1.343	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccccc1C[S@@](C)=O	184320994	SWNBAWMOWAWVDY-LADRHHBVSA-N	311.407	1.764	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1cccnc1N1CCCC1	70699763	AUXXXKUTVDIMMK-LBPRGKRZSA-N	319.365	1.014	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)c1cccnc1	43788134	IHGYBDMHRRIWOE-NSHDSACASA-N	316.336	1.855	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)C1CCOCC1	134908656	GHBVEWOCGHCBPY-LLVKDONJSA-N	323.368	1.514	50	20	DDGD	
O=C(NNc1cccnn1)c1nn(-c2ccc(F)cc2)cc1O	84403992	ZJRVBBCPOXPXMP-UHFFFAOYSA-N	314.280	1.264	50	20	DDGD	
CCNC(=O)NNC(=O)CSc1nc(C)c(C)c(C)c1C#N	139251825	IZLRBNMDONVLMQ-UHFFFAOYSA-N	321.406	1.321	50	20	DDGD	
Cc1nc(-c2cccc(C(=O)NNC(=O)C(C)(C)O)c2)cs1	190060745	MSKLKZSZGVEMAA-UHFFFAOYSA-N	319.386	1.650	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)c1ccncc1	194988849	CMAYTRWCQFQBHB-UHFFFAOYSA-N	300.274	1.373	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Cc1c(C)n[nH]c1C	191476340	GNEJOIDBYIZDMZ-UHFFFAOYSA-N	302.334	1.039	50	20	DDGD	
CON=Cc1ccc(C(=O)NNC(=O)NCc2ccco2)cc1	254999736	RPHWGYXPBKBZPW-UHFFFAOYSA-N	316.317	1.404	50	20	DDGD	
CC(C)N1C(=O)C(=NNC(=O)c2ccccn2)c2ccccc21	254573569	ULZKCDBXQPPTLJ-UHFFFAOYSA-N	308.341	1.971	50	20	DDGD	
COc1ccc(Cl)c(S(=O)(=O)NNC(=O)C2CCC2)c1	264863325	OSIJURSAAYWLPI-UHFFFAOYSA-N	318.782	1.458	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cccc(OCC(F)(F)F)c1	269326517	PEJGKIOMRBXALK-UHFFFAOYSA-N	305.256	1.544	50	20	DDGD	
CCC[C@H](NNC(=O)COc1ccccc1OC)C(=O)OCC	266476746	PFPKREGVASRQPJ-LBPRGKRZSA-N	324.377	1.427	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NNc2cc(Cl)nc(C)n2)C1	267103646	AKYIUENTJFJBJI-JTQLQIEISA-N	311.773	1.140	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2Cc3ccccc3C(=O)O2)nc1	368736722	WRKSQFUMVJONNQ-CYBMUJFWSA-N	313.313	1.315	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2CCc3nc(C)ncc3C2)nn1	369082630	AFWAKSMURUQKFZ-LBPRGKRZSA-N	313.365	1.067	50	20	DDGD	
CC(=O)OCCCSCC(=O)NNC(=O)c1ccccc1	278648812	MGQCSAOZDRPBMX-UHFFFAOYSA-N	310.375	1.134	50	20	DDGD	
COc1ccc(NNC(=O)NCC2([C@@H](C)CCO)CCC2)nc1	275925849	HEAUNNXMFPIXQI-LBPRGKRZSA-N	322.409	1.905	50	20	DDGD	
C[C@@H](O)c1cn(CC(=O)NNc2c(F)cccc2Cl)nn1	274599870	KXXCRJYZQKLTQC-SSDOTTSWSA-N	313.720	1.267	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)N1CCN(C)CC1)c1ccccc1	278525080	CLXNXXYMKZDQOQ-CYBMUJFWSA-N	304.394	1.168	50	20	DDGD	
CC(C)OC(=O)CCCNC(=O)NNC(=O)c1ccccc1O	274226655	RHQWYHSIMGAYID-UHFFFAOYSA-N	323.349	1.068	50	20	DDGD	
Cc1ccc(C(=O)N(C)C)cc1NC(=O)NNC(=O)CC1CC1	273478445	KCJSMIGKKKSHOG-UHFFFAOYSA-N	318.377	1.650	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N[C@@H](C)[C@@H]2CCCCO2)c(C)o1	271989289	LLYBONALHWAXKY-GWCFXTLKSA-N	309.366	1.798	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1	271283571	ARXMJHBXYKLBTN-MLOLEURXSA-N	304.346	1.031	50	20	DDGD	
CCCc1ccccc1NC(=O)C(=O)NNC(=O)CC1CC1	274031839	CVOYDARAFJWSSG-UHFFFAOYSA-N	303.362	1.525	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C[C@H](C)C(=O)c1cccc(F)c1	272688411	PUTYDRAZYKNMNT-JTQLQIEISA-N	309.341	1.727	50	20	DDGD	
Cc1cccc([C@H](O)CNS(=O)(=O)CBr)c1	272871218	ZRIYLVZUXSHICL-SNVBAGLBSA-N	308.197	1.300	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)C(C)(C)O)c1c[nH]c2ccccc12	280378703	WULDSSLQFQUJDO-SNVBAGLBSA-N	303.362	1.580	50	20	DDGD	
Cn1c(=O)n(CCC(=O)NCC(Cl)Cl)c2ccccc21	289189883	WOULGWPXEXXJMK-UHFFFAOYSA-N	316.188	1.650	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc([C@H]2CCCOC2)nn1C	280142575	MKEHIAONWAZSNE-JTQLQIEISA-N	324.385	1.012	50	20	DDGD	
C#CCOCCC(=O)NNC(=O)Nc1ccc(C)cc1Cl	802050918	OAAUKTSPUWQIJL-UHFFFAOYSA-N	309.753	1.841	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1cnc(C(F)(F)F)nc1	804768633	MXXBGRVGSXIQLS-UHFFFAOYSA-N	301.203	1.786	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)c2ccccc2OC)no1	294563132	JODAEOUJSRVXGX-UHFFFAOYSA-N	303.318	1.711	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)c(C)o1	292506018	SYUUCUAUYYYNSR-SECBINFHSA-N	321.308	1.659	50	20	DDGD	
CCOC(=O)CCCNC(=O)NNC(=O)c1ccc(CC)cc1	298664954	JSDJWQNROWVXGR-UHFFFAOYSA-N	321.377	1.536	50	20	DDGD	
COc1cccnc1CC(=O)NNC(=O)c1ccc(Cl)nc1	806498388	JNUAQSYUGREHNM-UHFFFAOYSA-N	320.736	1.142	50	20	DDGD	
Cc1cc(F)c(CC(=O)NNC(=O)[C@@H]2CCCCO2)cc1F	295271689	BXAKLYSNVRZEBB-ZDUSSCGKSA-N	312.316	1.532	50	20	DDGD	
Cc1nn(C)c(C)c1CNC(=O)NNc1ncc(F)cc1F	298029392	SGDLBPJEIUXVOT-UHFFFAOYSA-N	310.308	1.536	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1cccc(CN(C)C)c1	298684361	PFHAEOYCPRTXQU-UHFFFAOYSA-N	306.410	1.625	50	20	DDGD	
N#Cc1ccncc1C(=O)NNC(=O)c1ccc2ccccc2n1	805155703	PIXOWUUJFAIYOE-UHFFFAOYSA-N	317.308	1.576	50	20	DDGD	
COC(=O)N(C)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1	296201566	MSVFSOUUNBTZGL-UHFFFAOYSA-N	309.278	1.287	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc3oc(O)nc3c2)o1	805189857	ZGNLTLAMNJYQGQ-UHFFFAOYSA-N	301.258	1.510	50	20	DDGD	
Cc1cnc([C@H](C)NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)s1	297846845	HIASVSCIQWMMMT-HGNGGELXSA-N	312.395	1.410	50	20	DDGD	
COc1ccc(F)cc1NC(=O)NNC(=O)[C@H]1CCCCO1	296777570	GSJMFBCIVLHUBD-GFCCVEGCSA-N	311.313	1.556	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)NNC(=O)Nc1ccc(Cl)cc1	802015985	GEXIMQFQNKHAPI-UHFFFAOYSA-N	312.757	1.407	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H](F)CC1CCCCC1	802029991	YETZJFPEDZNJQQ-ZDUSSCGKSA-N	308.357	1.965	50	20	DDGD	
CNc1ccc(Cl)c(C(=O)NNc2nccc(OC)n2)c1	816859940	QPIUVASUSYIURT-UHFFFAOYSA-N	307.741	1.937	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCCO[C@H](C(C)C)C1	815312838	KRXROIIKKJSXFT-KGLIPLIRSA-N	313.442	1.315	50	20	DDGD	
CC(C)COc1ccc(CC(=O)NNc2cnnn2C)cc1	816770803	MNFJVMLSUVEJLC-UHFFFAOYSA-N	303.366	1.536	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)c1conc1C1CC1	810517191	LEDDLPSMDBBLOJ-UHFFFAOYSA-N	311.301	1.958	50	20	DDGD	
Cc1nccc(CCC(=O)NNc2cccc(F)c2[N+](=O)[O-])n1	816527912	FBHWQUASTRFALL-UHFFFAOYSA-N	319.296	1.908	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)Cn1ccc2ccccc21)C1CC1	812500000	STLLZWJVYGRNHE-QGZVFWFLSA-N	315.373	1.604	50	20	DDGD	
COC(=O)c1ccc(CNC(=O)NNC(=O)CC(C)C)s1	817804683	QXZKITKZKLRHRY-UHFFFAOYSA-N	313.379	1.411	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC2=NCC(O)=C2)C1	814974198	YUIJQHIBBMRDHD-SNVBAGLBSA-N	324.381	1.108	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1ccc[nH]1)c1ccccc1[N+](=O)[O-]	814101707	DMZDMALMMIVGDK-UHFFFAOYSA-N	316.317	1.662	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=O)CCc2ccccc2)o1	815187386	XRMNBVCZSBHVRH-UHFFFAOYSA-N	301.346	1.939	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(C(N)=O)s1	726772715	BPBLFCKGVNHEFP-UHFFFAOYSA-N	322.298	1.983	50	20	DDGD	
N#CCOc1ccc(CNC(=O)NNc2ncncc2F)cc1	814293769	GOKNHKABYGSSOT-UHFFFAOYSA-N	316.296	1.344	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H](C)C2(OC)CCOCC2)nc1	817177331	FOHNMVXVYFYEET-NSHDSACASA-N	324.381	1.300	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@@H]1CCCCS1	826643816	BILVWKZOSNBKGI-GARJFASQSA-N	301.412	1.028	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1ccc(-c2nn[nH]n2)s1	823281032	MABQWDNZUGXKOO-UHFFFAOYSA-N	321.753	1.155	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CN2CCCC2)c2ccccc2n1	822653480	UNMNEWNBXOVFFD-UHFFFAOYSA-N	312.373	1.400	50	20	DDGD	
CN1CC(=O)N(c2cccc(NC(=O)NN(C)C3CC3)c2)C1=O	824097408	PYTVOPMANPHZIC-UHFFFAOYSA-N	317.349	1.216	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@@H](C)S(C)(=O)=O)nc12	828367230	KXVPCUAWYCOZAT-MRVPVSSYSA-N	313.404	1.481	50	20	DDGD	
N#CC1=CCN(C(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC1	826380500	CKRRSPOSMFPQGX-UHFFFAOYSA-N	316.271	1.441	50	20	DDGD	
O=C(/C=C/c1ccc[nH]1)NNC(=O)Cn1cnc2ccccc21	493687280	OPQAHFKXGQMDNO-BQYQJAHWSA-N	309.329	1.225	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)Cc1cccnc1)CCO2	728786041	BYSBLSGWMXEMHS-UHFFFAOYSA-N	311.341	1.936	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@@H](c2ccco2)C1	827299220	MOAXBZCZKLTKTD-TUAOUCFPSA-N	307.350	1.235	50	20	DDGD	
C[C@@H]([C@@H](C)NC(=O)NNc1ccc(F)cc1)N1CCOCC1	729623022	FAWGVOKQRZJCML-NEPJUHHUSA-N	310.373	1.561	50	20	DDGD	
CSc1ccc([C@@H](C)NCC(=O)NNC(=O)C(C)C)cc1	829449222	QXLMSXZCYNJWFH-LLVKDONJSA-N	309.435	1.863	50	20	DDGD	
Cc1cscc1C(=O)NNC(=O)CNC(=O)OC(C)(C)C	494642901	ZZZCVVBEHPEMGT-UHFFFAOYSA-N	313.379	1.342	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)[C@H]1CC1(F)F	497238696	BACHVRXZGFESBA-MRVPVSSYSA-N	321.324	1.094	50	20	DDGD	
COc1ccc([C@@H](NCC(=O)NNC(=O)C(C)C)C2CC2)cc1	828721928	ITENZXYBCGNBGZ-INIZCTEOSA-N	319.405	1.539	50	20	DDGD	
CC(C)(C)[C@H]1OCCC[C@H]1CNCc1ccccc1B(O)O	585024506	YOYMLMILORTQBR-HOCLYGCPSA-N	305.227	1.297	50	20	DDGD	
Cc1ccc(C)c(C2=NO[C@H](C(=O)NNC(=O)N(C)C)C2)c1	900427412	KAFDFESDNZBHAI-ZDUSSCGKSA-N	304.350	1.099	50	20	DDGD	
CCOC(=O)NNC(=O)c1nc2ccccc2nc1C1CC1	822171577	WXTVLCFWQZTJRC-UHFFFAOYSA-N	300.318	1.898	50	20	DDGD	
CCOC(=O)CN(CC(C)C)C(=O)/C(C#N)=C/c1cnn(C)c1	491005928	CPWMTCQIMKPJLC-MKMNVTDBSA-N	318.377	1.375	50	20	DDGD	
O=C(CC1(O)CCC1)NNC(=O)c1cc(-c2cccs2)[nH]n1	827019007	ZDCOPZDIUKRKJR-UHFFFAOYSA-N	320.374	1.204	50	20	DDGD	
COCCCN(C)CCNC(=O)[C@@]1(C)C[C@H]1Br	906804367	WJVQITLAIBVNRP-PWSUYJOCSA-N	307.232	1.244	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(Cc1ccccc1F)C1CC1	827303762	NGMUHAMVHSUSQP-UHFFFAOYSA-N	307.369	1.594	50	20	DDGD	
O=C(NCCOc1cccnc1)NNC(=O)c1ccccc1F	734010434	CBVWHJQTLCXQBN-UHFFFAOYSA-N	318.308	1.244	50	20	DDGD	
CCC[C@@H]1C[C@H](c2nc(-c3cccc(B(O)O)c3)no2)CCO1	585052914	APQAMJYCHOHDLU-TZMCWYRMSA-N	316.166	1.479	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2CN(C3CCCCC3)C2)o1	837458759	JVMCVEHGBYHBPB-UHFFFAOYSA-N	305.378	1.614	50	20	DDGD	
CC(C)C[C@H]1CCCCCN1C(=O)c1ccc(B(O)O)cc1	584948232	AXHUDNFSBPONHI-MRXNPFEDSA-N	303.211	1.797	50	20	DDGD	
COc1cccc(NNC(=O)/C=C/c2ccc(OC)c(O)c2)n1	493247365	CWBUKLXCZJUAOX-VQHVLOKHSA-N	315.329	1.961	50	20	DDGD	
C[S@@](=O)C1(CNC(=O)/C(C#N)=C/c2ccc(O)cc2)CCC1	491176746	RNDKSNRTPZDXQU-SNMYMPMCSA-N	318.398	1.717	50	20	DDGD	
CN1CC[C@@H](C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)CC1=O	737508892	OKSBBRHYANYFCD-MRVPVSSYSA-N	322.273	1.067	50	20	DDGD	
CC(C)[C@@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)CCl	830509849	PACBJZNKDWJJCE-BDAKNGLRSA-N	314.860	1.048	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)c1ccccn1	734807387	NHHHBRIIHCOACI-NXEZZACHSA-N	317.295	1.925	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CCCCN2C)c(C)c1	731865903	AROLSGKNQIAHSB-HNNXBMFYSA-N	318.421	1.347	50	20	DDGD	
O=C(NC[C@H]1Cc2ccccc21)NNC(=O)[C@H]1CCCCO1	837798930	DVLZNUGSBARZBI-TZMCWYRMSA-N	303.362	1.226	50	20	DDGD	
COC[C@H](OC)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	830810908	WJAZOIKWIGLOBM-JTQLQIEISA-N	303.702	1.353	50	20	DDGD	
C=CC[C@@H](CC(F)(F)F)NCc1ccc(B(O)O)cc1F	585044946	XROLWFBFMJUIKW-NSHDSACASA-N	305.080	1.492	50	20	DDGD	
Cc1ncsc1CCNC(=O)NNc1ncncc1Cl	836575384	CLXMMXXBBZBCSY-UHFFFAOYSA-N	312.786	1.764	50	20	DDGD	
CC(=O)Nc1ccc(O)c(C(C)=NNC(=O)c2cnn(C)c2)c1	735412364	YAGABLXIDMWKCB-UHFFFAOYSA-N	315.333	1.238	50	20	DDGD	
CCCC[C@@H](COC)NC(=O)NNC(=O)N=c1cc[nH]cc1	836315227	WOPPYQIQXWDHKA-LBPRGKRZSA-N	309.370	1.044	50	20	DDGD	
C[C@H]1C[C@@H](c2ccccc2)CN(C(=O)c2cccc(B(O)O)c2)C1	584996997	SRSUHBIDEUYTSB-WMLDXEAASA-N	323.201	1.632	50	20	DDGD	
CO[C@H](C1CC1)[C@H](C)NC(=O)NNC(=O)Cc1ccccc1C	836640578	GPMZNSSTIFPTNL-LRDDRELGSA-N	319.405	1.681	50	20	DDGD	
Cc1ccc(C(=O)NNC(=S)NCC(F)(F)F)cc1O	905536411	IZSYXDOIEWJLEK-UHFFFAOYSA-N	307.297	1.372	50	20	DDGD	
CCCCOc1ccc(CN2CC[C@@H](B(O)O)C2)cc1OC	585076349	LQUXKBJSBZJMTF-CQSZACIVSA-N	307.199	1.923	50	20	DDGD	
O=C(O)[C@H]1C[C@H]1C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	739550189	WWXWFJQGDJBTJH-BDAKNGLRSA-N	322.708	1.554	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)c1ccc2ccccc2n1	837305289	RMFWNIOMQGCLNO-CYZMBNFOSA-N	323.352	1.611	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@]2(Cl)C[C@H]3CC[C@H]2O3)c1	906566686	SAPPSDGRGYRXBB-JMSVASOKSA-N	319.748	1.248	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc(C(F)(F)F)ccn1	900385814	FCYUUSUPEMMXAG-UHFFFAOYSA-N	302.256	1.454	50	20	DDGD	
C[C@@H](CN(C)C(=O)c1cccc(B(O)O)c1)C1CCCCC1	585011898	ZVFMSFQQPKJZBJ-ZDUSSCGKSA-N	303.211	1.655	50	20	DDGD	
O=C(NC[C@@H]1CCCC1(F)F)NNc1nc2ccccn2n1	838673943	PEAXFDLNLLQZCH-VIFPVBQESA-N	310.308	1.791	50	20	DDGD	
CC(C)[C@@H](NCc1ccc(B(O)O)cc1)c1ccc(F)cc1	585040817	AXSIHBXAMXUKHP-QGZVFWFLSA-N	301.170	1.992	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H](NC(=O)O)C(C)C)c1ccccc1	736846889	JDWWOVYOYBHDIZ-QWHCGFSZSA-N	321.377	1.620	50	20	DDGD	
COc1cc(CCNC(=O)NNc2ccc(C)nn2)ccc1O	734217775	DBROCHPJLIWCOY-UHFFFAOYSA-N	317.349	1.368	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H](C)[C@H]2CN(C)CCO2)cc1	838521474	AJUSQDFWZOKWBS-SWLSCSKDSA-N	322.409	1.431	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H](O)CCSC)ccc1F	837037854	XESRKGBLPODSNK-NSHDSACASA-N	316.354	1.169	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)NC[C@@H]1CCCNC1=O	838779241	NDIBQPPKSGDDRI-JTQLQIEISA-N	310.785	1.801	50	20	DDGD	
COc1ccc(Nc2ccccc2C(=O)NCB(O)O)cc1	585056030	OBLPRQWQRIOAKT-UHFFFAOYSA-N	300.123	1.181	50	20	DDGD	
CC[C@@H](NC(=S)NNC(=O)c1cnn(C)c1)c1cccs1	735417168	MZJDSGCGOFJVMF-SNVBAGLBSA-N	323.447	1.742	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNc1nc(-c2cccnc2)no1	839644273	PBBSZENXYFPZDG-SNVBAGLBSA-N	319.321	1.164	50	20	DDGD	
CC[C@@H]1CCC[C@H]1CNC(=O)NNC(=O)Cc1cccnc1	836278595	JGUSWRGKORGRIT-KGLIPLIRSA-N	304.394	1.781	50	20	DDGD	
CC(C)(C)OC(=O)[C@H](C(=O)NNc1cccnn1)C(C)(C)C	832045308	YSVMOHDBCUEWKZ-NSHDSACASA-N	308.382	1.924	50	20	DDGD	
COC(=O)[C@@H]1C[C@H]2CC[C@H]1N(CCI)C2	839175833	XDUFJIWOQZNGIZ-OPRDCNLKSA-N	323.174	1.695	50	20	DDGD	
CCC[C@H](C(=O)NNc1ccccc1Cl)S(N)(=O)=O	830786622	YGWREEFMTHOCBO-SNVBAGLBSA-N	305.787	1.240	50	20	DDGD	
CC(C)(C)OC(=O)C1(C(=O)NNc2ncc(F)cn2)CC=CC1	831347122	PTMWJIXNDQGOQT-UHFFFAOYSA-N	322.340	1.737	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1cnc(C)s1	917533680	QCYWYPRHMVCBQV-UHFFFAOYSA-N	305.359	1.989	50	20	DDGD	
Cc1ccoc1C=NNC(=O)C1CCN(c2ncccn2)CC1	743439729	JTINMPAKWWGGNX-UHFFFAOYSA-N	313.361	1.745	50	20	DDGD	
CN(C(=O)[C@@H]1CCN(S(=O)(=O)CCl)C1)c1ccccc1	831358892	POEVYWGDUCBMIF-LLVKDONJSA-N	316.810	1.497	50	20	DDGD	
CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NNC(=O)NCC1CC1	748232492	ZKRPQSQWHSWVQH-GFCCVEGCSA-N	324.425	1.154	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H](c1c(F)cccc1Cl)N(C)C	740738329	FNSXJOMPAIVJPF-LBPRGKRZSA-N	315.776	1.885	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](CO)C1CCCCC1	916631461	RBORJLNVKXTKRT-OAHLLOKOSA-N	319.405	1.880	50	20	DDGD	
CCS(=O)(=O)CCCNC(=O)[C@]1(C)C[C@H]1Br	910543692	VREZRWMHZZNXHR-PSASIEDQSA-N	312.229	1.101	50	20	DDGD	
COc1ccc(OC)c(C(C)=NNC(=O)[C@@H]2CCO[C@H]2C)c1	842555571	PGFVIFDSOLQKML-WCQYABFASA-N	306.362	1.969	50	20	DDGD	
C#Cc1cccc(N(CC)CC(=O)NNC(=O)C(C)(C)C)c1	744394747	JTRIKILJYKEHMN-UHFFFAOYSA-N	301.390	1.688	50	20	DDGD	
O=C(NNc1cccc2c1CCCC2)c1ccc2nnnn2c1	748588477	NJEUQVMFLSOBRN-UHFFFAOYSA-N	308.345	1.760	50	20	DDGD	
CC(=NNC(=O)c1ccc(-n2cnnn2)cc1)c1ccccn1	916352596	YMRPHBJYYLYVKK-UHFFFAOYSA-N	307.317	1.211	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)N[C@H]1CCNC1	841939012	KEMKSJIYZQLAHQ-AWEZNQCLSA-N	312.373	1.075	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)CSc2nncs2)o1	746525046	AEPMICVUGJZNMJ-UHFFFAOYSA-N	324.391	1.757	50	20	DDGD	
Cc1nc([C@H]2CCCCN2CC(=O)NNC(=O)C(C)(C)C)no1	744389207	OEDFUFGVDSLSGI-LLVKDONJSA-N	323.397	1.099	50	20	DDGD	
CN(C)c1cccnc1C(=O)NNC(=O)OCC(F)(F)F	912597383	SENMEOOZOOFCQP-UHFFFAOYSA-N	306.244	1.081	50	20	DDGD	
CCN(CC)C(=O)c1ccc(C(=O)NN(C)C[C@H](C)O)cc1	910164960	FPWYBJAQYKOZAQ-LBPRGKRZSA-N	307.394	1.126	50	20	DDGD	
NC[C@H](NC(=O)NNc1cccc([N+](=O)[O-])c1)C1CCCC1	841985612	KEOVMSJXDCZLKG-ZDUSSCGKSA-N	307.354	1.738	50	20	DDGD	
C=C(C)CONC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	845597943	JBZVUHSDEVKTDI-UHFFFAOYSA-N	307.354	1.596	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)CCc1ccccc1Cl	849303652	HKVYGDQZCOEILF-UHFFFAOYSA-N	304.799	1.489	50	20	DDGD	
Cn1nc(C2CC2)nc1CC(=O)NNc1cccc(Cl)n1	843893224	KQLIQBCIIDKXGY-UHFFFAOYSA-N	306.757	1.427	50	20	DDGD	
Cc1cc(C)cc(C2(C(=O)NNC(=O)c3ncccn3)CC2)c1	841354039	KCBFAQNJEHRYPL-UHFFFAOYSA-N	310.357	1.586	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H]1CCO[C@H]1C)c1ccccc1	843276355	BGNAAOZKZZDLTL-GVXVVHGQSA-N	307.419	1.668	50	20	DDGD	
NC1CCN(C(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)CC1	846662047	JJDHTHFEPJAODW-UFGOTCBOSA-N	301.228	1.890	50	20	DDGD	
O=C1C[C@]2(CCN(S(=O)(=O)CCl)C2)Oc2ccccc21	841564033	ZZGUADFUDNMKHJ-ZDUSSCGKSA-N	315.778	1.622	50	20	DDGD	
C[C@]1(C(=O)N2CCc3cnc(N)nc3C2)C[C@H]1Br	912470985	WWEGBHWUQBNHFX-SKDRFNHKSA-N	311.183	1.117	50	20	DDGD	
CC1=C(C)C[C@@H](C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)CC1	843519367	DFXVVVZMGKKWII-KBPBESRZSA-N	314.451	1.615	50	20	DDGD	
O=S(=O)(CCl)N1CCOC[C@@H]1c1cc(F)cc(F)c1	849462584	VDIXTFBEKGUONO-LLVKDONJSA-N	311.737	1.864	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc(Cl)c(N2CCNC2=O)c1	742477861	WEGQGLNWGCSGFZ-UHFFFAOYSA-N	324.768	1.287	50	20	DDGD	
Cc1cccc2[nH]cc(CC(=O)NNC(=O)[C@H]3CCO[C@H]3C)c12	843653596	XMMUAWIUBKJRCY-AAEUAGOBSA-N	315.373	1.591	50	20	DDGD	
O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NNC(=O)NCC1CC1	920889420	WWBNOLNTMIQFRO-QJRTVWDNSA-N	321.421	1.448	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC[C@@H]1CCCN1)c1ccccc1	841936849	LPKRISRJJRBICV-KBPBESRZSA-N	304.394	1.263	50	20	DDGD	
CCn1nc(C(=O)NNc2cc(F)cc(OC)c2)ccc1=O	759315592	WSICMUYENQKYCY-UHFFFAOYSA-N	306.297	1.168	50	20	DDGD	
COC(=O)Nc1cc(C(=O)NNC(=O)CC(C)C)ccc1F	929792072	DXSRRKQVTVFPFD-UHFFFAOYSA-N	311.313	1.811	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)s1)C(=O)Nc1ccccn1	758388105	WFLSRRYUAUAJCA-UHFFFAOYSA-N	308.750	1.885	50	20	DDGD	
Cn1ncc(C2CC2)c1C(=O)NNC(=O)NC1CCCCC1	854192999	ZQCWYQFLNHUQRP-UHFFFAOYSA-N	305.382	1.574	50	20	DDGD	
O=C(NCC1(c2cccc(F)c2)CC1)NNC(=O)c1cn[nH]c1	858241320	PAZSJARNODPUQU-UHFFFAOYSA-N	317.324	1.225	50	20	DDGD	
Cn1ccc(CCC(=O)NC[C@]2(C)C[C@H]2Br)n1	857387275	GOVNQXZVBKKJQP-PWSUYJOCSA-N	300.200	1.642	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2C[C@H]3CC[C@H]2NC3)C[C@H]1Br	857007792	UXZHQDUJDFTGDE-VDWIVTDKSA-N	301.228	1.664	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCC2(C)CC2)cc1C	753019074	FXOUBQKUYBYXFE-UHFFFAOYSA-N	305.378	1.813	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CC23CCC3)cc1OC	759687805	BKNBSXNBCGCRCP-NSHDSACASA-N	304.346	1.655	50	20	DDGD	
COC(=O)CCCN1CCC(=NNC(=O)c2ccc(C)o2)CC1	752173272	WIFJUFRPXURJCK-UHFFFAOYSA-N	321.377	1.723	50	20	DDGD	
CC[C@H](C)CCNC(=O)NNC(=O)c1ccc2c(c1)OCCO2	852492393	QAHGVAGJNBELTP-NSHDSACASA-N	321.377	1.838	50	20	DDGD	
O=C(NNC(=O)c1ccccc1OCC1CC1)c1cc[nH]n1	855358878	YOFBBSNFFKGJSN-UHFFFAOYSA-N	300.318	1.273	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNC(=O)c2cc[nH]n2)cc1	855357854	RSLWQHVEXFMNMH-SNVBAGLBSA-N	302.334	1.058	50	20	DDGD	
CCc1c(NC(=O)NNC(=O)COC)cnn1CCC(C)C	755401796	JIMXMGNZLSVLEL-UHFFFAOYSA-N	311.386	1.291	50	20	DDGD	
C[C@H](CO)[C@H]1CCCCN1C(=O)/C(C#N)=C/c1cnn(C)c1	855467253	RUKFSYTVEHRHQD-KJYIWAHTSA-N	302.378	1.337	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc(O)nc2c1CCCC2	929429367	LMNVAFKADCFPNL-UHFFFAOYSA-N	322.434	1.573	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@]1(C(F)(F)F)CCNC1	852800199	MBXKRXAJYIEKLA-NSHDSACASA-N	318.255	1.580	50	20	DDGD	
NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1nc(C(F)(F)F)cs1	857148669	HJAMFWQNNDZZIB-UHNVWZDZSA-N	308.285	1.117	50	20	DDGD	
CC(C)Oc1cccc(C(=O)NNC(=S)NCC2CCC2)n1	855090643	KAPDYFXWDQRELU-UHFFFAOYSA-N	322.434	1.778	50	20	DDGD	
O=C(NN=Cc1c[nH]c2ccccc12)[C@@H]1CN2CCC[C@@H]2CO1	853387113	KJXIMSPATKTGIM-CJNGLKHVSA-N	312.373	1.481	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@]1(c2ccccc2)CCCO1	929242982	QRABPLLNDRIZES-HNNXBMFYSA-N	305.403	1.374	50	20	DDGD	
O=C(NNS(=O)(=O)c1cc2ccccc2o1)C1CCCC1	753980733	FRYJTAWPAYOXHC-UHFFFAOYSA-N	308.359	1.933	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cn2ccc(C)n2)c1C	855624405	MPHNGOKZBGIMRG-UHFFFAOYSA-N	302.334	1.430	50	20	DDGD	
COCCN1CC(=O)N(C[C@@]2(C)C[C@H]2Br)C1=O	857227057	FMRNPBNEXLUBKM-LDYMZIIASA-N	305.172	1.071	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1nc[nH]c2nccc1-2	854460225	YPSJRMQHAMVEDB-UHFFFAOYSA-N	309.333	1.724	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2ccccn2)cc1[N+](=O)[O-]	755338400	YIXXTSIJRGGZIF-UHFFFAOYSA-N	315.289	1.765	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)[C@H]1CCn2cncc2C1	855622786	LOWKKKNLUTXYJB-VIFPVBQESA-N	319.296	1.636	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@]2(C(=O)O)C[C@H]3CC[C@H]2C3)n1	852947221	GKMXZPQDRCZEQV-AMJWSMQMSA-N	320.349	1.128	50	20	DDGD	
COc1ccc(C(=O)NN=C2CN(C3CC3)C[C@H]2C)cc1OC	755871862	MRIVWIQXQBEBPB-LLVKDONJSA-N	317.389	1.904	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cnc2n1CCC2	850811815	NBODTQCGUXMQGE-UHFFFAOYSA-N	303.274	1.965	50	20	DDGD	
C[C@]1(CNC(=O)NNc2ccncn2)C[C@H]1Br	856896849	HMUHTRYQIPDWLN-GMSGAONNSA-N	300.160	1.276	50	20	DDGD	
COc1ccc(C(=O)NC[C@]2(C)C[C@@H]2Br)nn1	857399175	VDLUKJCWYDRFPZ-KWQFWETISA-N	300.156	1.389	50	20	DDGD	
Cc1ccc2cccc(S(=O)(=O)NNC(=O)C3CCC3)c2n1	753982638	UNKFOLXUAXMQNO-UHFFFAOYSA-N	319.386	1.653	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=S)N[C@@H](C)C2CC2)c1C	855101981	ZVRYHJOAESCREH-QMMMGPOBSA-N	309.439	1.427	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Nc1cc(C)c(C)nn1	756582523	JOLOQKQUHMQCJB-UHFFFAOYSA-N	315.333	1.569	50	20	DDGD	
CCn1cnc(C(=O)NNC(=O)CSc2ccc(C)cc2)c1	854236308	WSUCXZJIDYCMMD-UHFFFAOYSA-N	318.402	1.765	50	20	DDGD	
Cc1csc(C=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)n1	755565276	MZIGYRJZOHWFKF-UHFFFAOYSA-N	305.319	1.706	50	20	DDGD	
CN(CC(=O)NNc1ccncn1)C(=O)OCc1ccccc1	857522213	YMBXAPSYKSMOSZ-UHFFFAOYSA-N	315.333	1.188	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1ccc2sccc2c1	755270087	WKGNXRHZEXOLCV-UHFFFAOYSA-N	300.343	1.628	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1cn[nH]c1)c1ccccc1OC	858209946	WNXLHYNLSTWWMC-LBPRGKRZSA-N	317.349	1.514	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)NCCCOC)C[C@H]1C	758118096	WLOISJDPJRRMIQ-DGCLKSJQSA-N	313.398	1.677	50	20	DDGD	
CC(=NNC(=O)CS(C)(=O)=O)c1cc2c(s1)CCCC2	863187261	DXTVUFQUVXOAHW-UHFFFAOYSA-N	314.432	1.512	50	20	DDGD	
CC(C)C1(C(=O)NNC(=O)NCCc2cccs2)COC1	930734526	LVPMIRACKQYZIX-UHFFFAOYSA-N	311.407	1.294	50	20	DDGD	
C/C=C(/C)C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	763177966	VHXPZXHJZPNHDI-OQFOIZHKSA-N	302.309	1.943	50	20	DDGD	
CC[C@]1(C)COCCN1CC(=O)NNC(=O)c1ccc(C)cc1	761110459	PCPZYRPIQQIBLC-QGZVFWFLSA-N	319.405	1.257	50	20	DDGD	
OB(O)c1cccc(CNc2ccc(OC(F)F)c(F)c2)c1	864019999	FWIWHXHWTGRVDF-UHFFFAOYSA-N	311.068	1.719	50	20	DDGD	
Cc1cccc(CO[C@@H](C)C(=O)NNC(=O)c2ccnnc2)c1	868930838	SCPFJDVIAKKOPD-LBPRGKRZSA-N	314.345	1.151	50	20	DDGD	
CCNC(=O)NNS(=O)(=O)/C=C\c1cccc(Cl)c1	768882437	GZPDNDKAWIIKDF-SREVYHEPSA-N	303.771	1.464	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C=NNC(=O)c2cnccn2)c1C	863077774	WBXDIGQDQUSAKT-UHFFFAOYSA-N	315.333	1.362	50	20	DDGD	
CC(C)c1ccc(OCCC(=O)NNC(=O)c2cn[nH]c2)cc1	862473772	AHXBKZUNMZFYKK-UHFFFAOYSA-N	316.361	1.763	50	20	DDGD	
CN1C(=O)CN(CC(=O)NNc2ccc(C(C)(C)C)cc2)C1=O	860685559	QVMXKOLTONXWJP-UHFFFAOYSA-N	318.377	1.321	50	20	DDGD	
O=C(CCN1CCOCC1)NNc1ccc(F)c(Cl)c1	863079804	AYSZOPMTMCKQSJ-UHFFFAOYSA-N	301.749	1.645	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@@H](Br)C(C)(C)C	768367587	GMDPUVDXWBIQRE-KXUCPTDWSA-N	319.243	1.827	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CCOC(C)(C)[C@@H]1C	763539197	SPCUAUJGDMFDHE-LBPRGKRZSA-N	305.378	1.849	50	20	DDGD	
COc1ccc2c(c1)[C@@H](NC(=O)NNC(=O)C(C)C)CCO2	767940723	LJIVABNHTNICHE-LBPRGKRZSA-N	307.350	1.505	50	20	DDGD	
N#CC1=CCN(C(=O)c2cc(O)ncc2Br)CC1	935160964	YBSQRKYGSNHMTF-UHFFFAOYSA-N	308.135	1.846	50	20	DDGD	
CC(C)c1ccc(CCC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1	862452870	OQOODJSGSTYTBM-CQSZACIVSA-N	317.389	1.169	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2cc(C)sn2)cc1	769863695	HLCRXAVVAFTRRF-UHFFFAOYSA-N	320.374	1.333	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)N1	862457623	MOZLAIRRQFTCAG-UMSGYPCISA-N	307.394	1.019	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)CSc1ccccc1O)C1CC1	860491218	DUMCVVRQLTXPNU-CQSZACIVSA-N	324.402	1.447	50	20	DDGD	
Cc1ccc(C)c(-c2cc(C(=O)NNC(=O)[C@H](C)C#N)n[nH]2)c1	768270075	VHTKYOPHJNXUQG-LLVKDONJSA-N	311.345	1.614	50	20	DDGD	
CC(Cc1ccncc1)=NNC(=O)[C@@H](C)CN1CCOCC1	767764085	GBVMTTNXEMXAST-ZDUSSCGKSA-N	304.394	1.085	50	20	DDGD	
COCC(=O)NN=C(C)[C@H]1CCCCN1C(=O)OC(C)(C)C	761819650	YDAOLXKNCWNXKL-GFCCVEGCSA-N	313.398	1.915	50	20	DDGD	
Cc1cc(OC(C)C)ccc1NC(=O)NNC(=O)c1cn[nH]c1	860487032	OMOQACOPWIYIKD-UHFFFAOYSA-N	317.349	1.972	50	20	DDGD	
O=C1NCCC[C@@H]1C(=O)NNc1cc(Cl)cc(Cl)c1	867760300	ATQIXMTZIACZRZ-JTQLQIEISA-N	302.161	1.963	50	20	DDGD	
N#CCOc1cccc(CC(=O)NNC(=O)NC2CCCC2)c1	760382745	RNQHMYIUSMYGPA-UHFFFAOYSA-N	316.361	1.404	50	20	DDGD	
CCOC(=O)C[C@@H](C)CNS(=O)(=O)CC(C)(C)CCl	867024769	HMBAHRZKAVZOLI-SNVBAGLBSA-N	313.847	1.760	50	20	DDGD	
COCCOCC(=O)NNC(=O)/C=C(/C)c1ccc(F)cc1	869909375	UBJOQSCWKDRCOJ-LUAWRHEFSA-N	310.325	1.039	50	20	DDGD	
CCCc1c(C(=O)NNC(C)=O)cnn1-c1cccc(C)c1	767403075	FMLGBDUAGJRFMD-UHFFFAOYSA-N	300.362	1.914	50	20	DDGD	
CC(=O)NNC(=O)Nc1cnc(N2CCCC[C@@H]2C)c(C)c1	765254866	RODWCIKTEQTZCF-NSHDSACASA-N	305.382	1.941	50	20	DDGD	
CC(C)COc1ccccc1NC(=O)C(=O)NNC(=O)C(C)C	763831327	FWNWOYYJEQMEAY-UHFFFAOYSA-N	321.377	1.463	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)Cc1ccc(F)c(Cl)c1	763824561	MESCYUYJVAROTB-VIFPVBQESA-N	315.776	1.857	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1ccc(OC(C)(C)C)cc1	764900673	ONLPNFOCHPYXQX-UHFFFAOYSA-N	317.389	1.983	50	20	DDGD	
CCC(=O)c1ccc(C(=O)NNc2nccn(C)c2=O)cc1	761572258	LEAJZQXLONBTAY-UHFFFAOYSA-N	300.318	1.130	50	20	DDGD	
COCC(=O)NN=Cc1ccc(OC(F)F)cc1OC(F)F	1116280444	SLKYVAIOAIFMQZ-UHFFFAOYSA-N	324.230	1.986	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCCc3c(F)cccc32)CC1	872368794	QDFZKSJULNYHJA-UHFFFAOYSA-N	304.369	1.823	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)C#CC2CC2)cc1	874954406	WROARRRGNBFJQO-UHFFFAOYSA-N	302.403	1.484	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)C[C@@H]1CCCO1	873768179	XKVOAERUVGXULQ-JTQLQIEISA-N	309.391	1.582	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CC(=O)NNc1nccnc1C(C)C	772877353	PJCWBTKPDVKIAD-UHFFFAOYSA-N	319.325	1.156	50	20	DDGD	
Cc1nc(C(=O)NNc2nc(-c3cccnc3)no2)sc1C	770418713	VNZHINJZJWEBMN-UHFFFAOYSA-N	316.346	1.962	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccccc2S(C)(=O)=O)cc1O	779530840	AWEFHZVFANTRDM-UHFFFAOYSA-N	320.370	1.861	50	20	DDGD	
CC(C)(C)OCC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	777996168	WHGHOMHWQMUGLW-UHFFFAOYSA-N	316.361	1.448	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)NC/C=C\C1CC1	1117788397	XSUOTAJCQQATDQ-ARJAWSKDSA-N	312.373	1.938	50	20	DDGD	
C[C@]1(CNC(=O)NNc2cccc(F)c2Cl)CCC(=O)N1	875653513	GLQMUUASPPCHCH-CYBMUJFWSA-N	314.748	1.774	50	20	DDGD	
CC(=O)CCC(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	773173756	YXWJWKCYZJKZPA-SNVBAGLBSA-N	312.753	1.624	50	20	DDGD	
O=C(C/C=C\Cc1ccccc1)NNC(=O)N1CCOCC1	874248306	MYWDAYLNNOHPOM-PLNGDYQASA-N	303.362	1.248	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)N[C@H]1CC12CCC2	873263126	GJMQDHFJHURZJV-LBPRGKRZSA-N	309.391	1.659	50	20	DDGD	
Cc1ccnc2c(S(=O)(=O)NNC(=O)C(C)C)cccc12	777597286	RNSPUMIXMKFNIC-UHFFFAOYSA-N	307.375	1.509	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@H]1CCC=CO1	873769783	XQYVPSQKFXHYJR-GFCCVEGCSA-N	307.375	1.706	50	20	DDGD	
O=C(NCC1CCN(C2CC2)CC1)NNC(=O)C1CCCC1	770622920	PKROGLQKMIFKQL-UHFFFAOYSA-N	308.426	1.381	50	20	DDGD	
CC(=NNC(=O)Cn1nc(C)cc1C)c1ccc(C(=O)O)o1	773020282	ZGAOFPNJPATXNJ-UHFFFAOYSA-N	304.306	1.332	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@@H]2C[C@@H]3CCCCN3C2=O)n1	875658587	ZCIADFMSQRVLNX-NWDGAFQWSA-N	303.366	1.170	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccc(F)cn1)NC(=O)C1CCCC1	874651305	MBDNSFCJDQBRPM-JTQLQIEISA-N	308.357	1.749	50	20	DDGD	
CC(CCOCc1ccccc1)=NNC(=O)CN1CCCC1=O	872335675	UVCZIBATAUNUBE-UHFFFAOYSA-N	317.389	1.708	50	20	DDGD	
CN(CC(=O)NNC(=S)Nc1ccccn1)CC(C)(C)C	874957786	SKQWMJBSTVIWGA-UHFFFAOYSA-N	309.439	1.377	50	20	DDGD	
CC(C)(SCC(=O)O)C(=O)NC[C@@]1(C)C[C@H]1Br	872883426	PDOKRNVTIZXBOU-RDDDGLTNSA-N	324.240	1.873	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@H]1CCc2cc(O)ccc2C1	775086413	SYKUVRPUZJVOGZ-LBPRGKRZSA-N	321.377	1.988	50	20	DDGD	
CSCc1cccc(NC(=O)C(=O)NNc2ncccn2)c1	773721732	STRIRHOVFWWHQJ-UHFFFAOYSA-N	317.374	1.421	50	20	DDGD	
COc1cc(NC(=O)NNc2ccc(C)nn2)cc(OC)c1	775390498	MZNQDRFNWITNNP-UHFFFAOYSA-N	303.322	1.951	50	20	DDGD	
Cc1cc2c(cc1C)[C@@H](C(=O)NNc1nnc(C)c(O)n1)CO2	771721391	FHNODKMZCAYERH-NSHDSACASA-N	315.333	1.122	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cc(-n2cccn2)ccn1	772889552	AGBMMWJCKRQLKC-UHFFFAOYSA-N	323.360	1.938	50	20	DDGD	
C[C@@H](C#N)CNC(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	770800422	ZEUXLCRTZKUWSQ-VHSXEESVSA-N	324.768	1.597	50	20	DDGD	
Cc1ocnc1CNC(=O)NNC(=O)COc1ccccc1F	770753104	CJOHNEVODVWTKU-UHFFFAOYSA-N	322.296	1.032	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N=S1(=O)CCOCC1	1120006056	UWPQLRZGDPRMPD-XFXZXTDPSA-N	308.334	1.757	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccnc(OC(C)C)c1	778714568	VYOPEYBPXMJFMR-JTQLQIEISA-N	322.365	1.001	50	20	DDGD	
CC(C)Cc1nc(C(=O)NNC(=O)c2cccnn2)cs1	882058716	KANVPYFZJSFYJP-UHFFFAOYSA-N	305.363	1.206	50	20	DDGD	
C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)NNC(=O)c1cccnn1	883493509	MTDLMNFAJUAAKC-QWRGUYRKSA-N	305.382	1.635	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)CCCCl)C[C@]2(CCCOC2)O1	882148911	BGOAYETXGYBWKN-RYUDHWBXSA-N	311.831	1.215	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCO[C@@H]2COCC[C@@H]21	888780841	MNNINLICJLWYGC-KTDOTMJKSA-N	314.341	1.315	50	20	DDGD	
CC(C)Cn1[nH]c(CC(=O)NNc2ccc(F)c(F)c2)cc1=O	885109991	LPFYSKXIAPQLHD-UHFFFAOYSA-N	324.331	1.796	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2F)CO1	784131502	UCPMZHBYQYRDGV-YUMQZZPRSA-N	300.717	1.665	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(NC(=O)OC)cc1C	887154458	LRCGZFFEMHMXOE-UHFFFAOYSA-N	317.345	1.738	50	20	DDGD	
C[C@@H](CC1CCCCC1)NC(=O)NNC(=O)c1cccnn1	883609329	TUDBEEIXHUOJIE-NSHDSACASA-N	305.382	1.780	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(S)n1)[C@]1(C)CCCO1	782183777	CMFFQUNICMGDPO-ZDUSSCGKSA-N	310.379	1.075	50	20	DDGD	
COC(=O)c1cc(OC(=O)Cc2ccn(C)n2)ccc1[N+](=O)[O-]	782291514	XVWOSOHSSWDJDV-UHFFFAOYSA-N	319.273	1.263	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cccnc1SC(F)F	887140850	VBRPTANUUCMFRV-UHFFFAOYSA-N	313.329	1.961	50	20	DDGD	
O=C(NCCc1ccc(F)c(F)c1F)NNC(=O)C1CCC1	784495270	JKXOWBHLFSPVAH-UHFFFAOYSA-N	315.295	1.777	50	20	DDGD	
C[C@@]1(c2ccc(C(=O)N3CC=C(C#N)CC3)cc2)NC(=O)NC1=O	780688800	PDWYINVYFNSTNV-KRWDZBQOSA-N	324.340	1.037	50	20	DDGD	
COc1cc(NNC(=O)NCCn2cncn2)ccc1Cl	788956121	QKEBJQHTOZREPP-UHFFFAOYSA-N	310.745	1.266	50	20	DDGD	
COc1ccc(NNC(=O)c2csc(NC(C)=O)n2)nc1	781537288	JOLUSLHPTMPYFI-UHFFFAOYSA-N	307.335	1.262	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)C(=O)Nc1ccon1	785087017	NFOOIILXVGTMQM-UHFFFAOYSA-N	300.196	1.174	50	20	DDGD	
CCn1cccc(CNS(=O)(=O)CCCCCl)c1=O	788688419	NEGMHAUPTQEXFA-UHFFFAOYSA-N	306.815	1.307	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCC(C)CC1)c1ccc(O)nn1	790149697	OMOYFSZSLDAGJZ-LBPRGKRZSA-N	319.409	1.390	50	20	DDGD	
Cn1cc2c(n1)CCCC2=NNC(=O)COc1ccc(C#N)cc1	794472703	ROBTTWZLXZQWJY-UHFFFAOYSA-N	323.356	1.527	50	20	DDGD	
Cc1c[nH]nc1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	799407491	USTDHGNIDLLJIO-VIFPVBQESA-N	306.297	1.086	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cc(F)cc2nc[nH]c12	798314000	SCYHESUJPJIYNO-UHFFFAOYSA-N	319.218	1.208	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@@H](O)c1cccnc1	791066356	GCVVILJIOOQQED-LBPRGKRZSA-N	306.253	1.306	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1	795181379	NVFZKMAZGMMBFD-AWEZNQCLSA-N	322.390	1.714	50	20	DDGD	
CC(=NNC(=O)CNc1ccccc1F)c1cc(C)n(C)n1	799867232	FOBQNHXQHWYZHJ-UHFFFAOYSA-N	303.341	1.820	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)c2ccc(C#N)o2)nc2ccccc21	794180644	MQZLIPPIJDCZFU-UHFFFAOYSA-N	323.312	1.042	50	20	DDGD	
O=C(c1ccc(Br)s1)N1CC[C@@H](B(O)O)C1	585073749	DJMMJOHBRABDRA-ZCFIWIBFSA-N	303.974	1.200	50	20	DDGD	
O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NNC(=O)c1n[nH]c2c1CCCC2	1317734229	VKNDUGVGPHMVDE-SRVKXCTJSA-N	316.405	1.876	50	20	DDGD	
COCC(=O)NCCC(=O)NNc1ccccc1C(F)(F)F	1321995063	MYTVRTNTJPQQQH-UHFFFAOYSA-N	319.283	1.301	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)NCCCC2CC2)C[C@H]1Br	1331079681	XPXGITQAPVSCLU-ZWNOBZJWSA-N	317.227	1.583	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@H]2CCCCCN2)cc1	1335697084	UGUXEBZCWGIMAY-OAHLLOKOSA-N	318.421	1.725	50	20	DDGD	
CC(=O)N1CCC(C(=O)NNCC(F)(F)C(F)(F)F)CC1	1330246504	JIEGUILHAMKKHD-UHFFFAOYSA-N	317.258	1.063	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)C(=O)NC1CC1	1330199004	SNDIOOMSLLXEMY-UHFFFAOYSA-N	320.418	1.154	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@]2(F)CCOC2)c1C	1330619527	XFZWVHMHLKKMRP-CQSZACIVSA-N	311.382	1.750	50	20	DDGD	
Cc1cccc(NNC(=O)NCCN(C)CC(F)(F)F)n1	1349322055	PUGGKLKGFMMOEH-UHFFFAOYSA-N	305.304	1.510	50	20	DDGD	
O=C(NNC(=O)c1cccc(Br)c1O)NC1CC1	1341587575	QVUAMUVCLIBCOS-UHFFFAOYSA-N	314.139	1.261	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)c1ccc(Cl)cc1)C(=O)O	1603562774	WNGSJLTXKVXSBS-MRVPVSSYSA-N	313.741	1.395	50	20	DDGD	
C[C@@]1(C(=O)NNc2ccc(C(=O)O)c(Cl)c2)CCNC1=O	1604488526	WELCGAQTMUFSBQ-CYBMUJFWSA-N	311.725	1.008	50	20	DDGD	
COCn1ccc(C(=O)NNc2ccc(C(=O)O)cc2F)n1	1606985991	YDBSUPHADADAOY-UHFFFAOYSA-N	308.269	1.081	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@@H](C(=O)O)c2ccsc2)cn1	1600945573	HQLUBHGGKOQASL-KBVBDRTLSA-N	316.342	1.331	50	20	DDGD	
N#C[C@H]1CC[C@@H](NC(=O)NNc2cccc(C(=O)O)c2F)C1	1608190532	SYHXFRABAMOFCL-DTWKUNHWSA-N	306.297	1.842	50	20	DDGD	
Cc1c(NNC(=O)NCCC2(C)OCCO2)cccc1C(=O)O	1600053903	YLFPNPLTAHUJRA-UHFFFAOYSA-N	323.349	1.472	50	20	DDGD	
O=C(O)c1ccnc(C(=O)NNC(=O)c2cccc(Cl)c2)c1	1608951895	SUMJQHGUTNWQJY-UHFFFAOYSA-N	319.704	1.508	50	20	DDGD	
O=C(NNC(=O)[C@]1(C(=O)O)CC=CCC1)c1ccc(Cl)nc1	1605814580	IITIJBKDVLYCHJ-AWEZNQCLSA-N	323.736	1.307	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)NN=Cc1ccoc1	1549313785	AAPFKLKQTWQJDN-GXTWGEPZSA-N	302.334	1.631	50	20	DDGD	
O=C(O)[C@@H]1[C@H]2CCC[C@@H]2CN1CCCI	1610735568	HZGHFXIOUNCBHZ-UTLUCORTSA-N	323.174	1.997	50	20	DDGD	
O=C(NN=C[C@@H]1CC1(Cl)Cl)[C@H]1CN2CCC[C@@H]2CO1	1549317686	YNUUTBHAENVROP-IVZWLZJFSA-N	306.193	1.145	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)nc1)[C@H]1CN2CCC[C@H]2CO1	1549317384	KWUDSIPBRVPIJP-NWDGAFQWSA-N	308.769	1.048	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C=NNC(=O)c1cnsn1	1552920401	NIGRALUNZVXFGK-JOYOIKCWSA-N	320.378	1.155	50	20	DDGD	
C[C@@H]1CN(C)C[C@@H](C(=O)NN=C2CCOC3(CCCCC3)C2)O1	1552921573	FIMVNTZGTGHPJR-HIFRSBDPSA-N	323.437	1.691	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@@]12CCCC[C@@H]1NCC2)C1CC1	1576233099	FDPTUNULWGFLTH-IFUGULHKSA-N	310.467	1.203	50	20	DDGD	
CC(C)[C@]1(C)C[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1589490525	KMWJPSYFKCXWDB-HZMBPMFUSA-N	301.354	1.387	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@@H]1F	1847980543	QFQIABYWTFRBBA-DGORSVRFSA-N	302.777	1.564	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)c2ccon2)C1	1842539405	UAGCIMLSVFQSHT-VIFPVBQESA-N	301.705	1.026	50	20	DDGD	
O=C(NN=C[C@H]1CCCOCC1)c1cccc(-c2nn[nH]n2)c1	1593155628	VSZSMSHBBOYCDR-NSHDSACASA-N	314.349	1.399	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccc(CC(=O)O)cc1)N(CC)CC	1594737493	WCQPMVJTCWSHQP-AWEZNQCLSA-N	307.394	1.877	50	20	DDGD	
CO[C@@H](C(=O)NNc1ncccc1C(=O)O)c1ccc(F)cc1	1593898047	CCMLIYXISLWMIP-GFCCVEGCSA-N	319.292	1.750	50	20	DDGD	
Cc1c[nH]ccc1=NNC(=O)c1cccc(OCC(=O)O)c1	1594433893	PQXIINFSHMABHE-UHFFFAOYSA-N	301.302	1.032	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1conc1C1CC1	1593166933	CUFPGJPLJIELQS-UHFFFAOYSA-N	311.305	1.489	50	20	DDGD	
Cn1nc(C2CC2)cc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1592594472	MDLZNQCKQMOSKK-UHFFFAOYSA-N	324.348	1.235	50	20	DDGD	
N#Cc1ccc(F)c(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1	1592693452	DPBOMRUKJGBISS-UHFFFAOYSA-N	323.291	1.634	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=Cc1cccc(C(=O)O)c1Cl	1776102337	NLNHCIZLIOVKDA-WDEREUQCSA-N	310.737	1.913	50	20	DDGD	
Cc1ccc(OCC(=O)NNc2nnc(C)c(O)n2)cc1C	11548090	IAJIGLOCVMDCMY-UHFFFAOYSA-N	303.322	1.025	50	20	DDGD	
O=C(COc1cccc(Cl)c1)NNC(=O)c1cccnc1	15507973	FWOCLGSXCVDBIT-UHFFFAOYSA-N	305.721	1.575	50	20	DDGD	
CC1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1	16483550	QWSUNCURHUXVKV-UHFFFAOYSA-N	320.349	1.088	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(C(=O)NC2CC2)cc1	161188623	FZPKHHZFSKCXEJ-UHFFFAOYSA-N	318.377	1.323	50	20	DDGD	
CCNC(=O)NNS(=O)(=O)c1ccc(CCCCl)cc1	158688714	VPOHBYQYGDBJME-UHFFFAOYSA-N	319.814	1.370	50	20	DDGD	
COC(=O)NNC(=O)c1cc2cc(Br)ccc2[nH]1	158885258	LJJASQOELXQWND-UHFFFAOYSA-N	312.123	1.931	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(C)nc(Cl)c1	160305158	HMYQFLLVSHOVLM-UHFFFAOYSA-N	300.746	1.024	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)N[C@H]2C=CCCC2)cc1	157701451	KTMIIJPFAYQTMF-ZDUSSCGKSA-N	314.345	1.376	50	20	DDGD	
O=C(NNc1ncccn1)Nc1cccc(N2CCCC2=O)c1	154303296	OPNDITVMIQVEMW-UHFFFAOYSA-N	312.333	1.752	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cccc(-n2ccnn2)c1	154848648	QILWAUCPZVGTAV-UHFFFAOYSA-N	301.350	1.465	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)/C=C/c1ccc2c(c1)OCO2	8301733	SSWROHDIBXFABP-FNORWQNLSA-N	321.402	1.722	50	20	DDGD	
C[C@H]1[C@H](NS(=O)(=O)CCl)CCN1Cc1ccccc1	309836812	URSKOQXGXUAXIQ-WCQYABFASA-N	302.827	1.765	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CSCc1cscn1	493935922	UIKJJNMYDSVDQX-UHFFFAOYSA-N	303.409	1.932	50	20	DDGD	
CSSCCNCCS(=O)(=O)c1ccc(C#N)cc1	397780338	OPVDXSRECFSJGU-UHFFFAOYSA-N	316.473	1.933	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(Cl)cc1F)c1ccc[nH]1	7727341	PBUFKEDOZZCJGC-UHFFFAOYSA-N	317.729	1.431	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccn(-c2ccc(OC)cc2)n1	55140675	PIBRPLJAWMDXGY-UHFFFAOYSA-N	304.306	1.272	50	20	DDGD	
N#Cc1ccsc1C(=O)NNC(=O)c1ccc(Cl)nc1	52035607	KGOYZIDQGFDLMG-UHFFFAOYSA-N	306.734	1.743	50	20	DDGD	
COCc1cccc(C(=O)NNC(=O)c2cccc(C#N)c2)c1	103402934	AEFOVIIYHSPZHC-UHFFFAOYSA-N	309.325	1.779	50	20	DDGD	
CC(C)Oc1ccccc1C(=O)NNC(=O)c1cccn1C	106010808	FLXGJCLZUODFLN-UHFFFAOYSA-N	301.346	1.887	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1ccsc1	22626702	WTSABBWQVDEYAH-UHFFFAOYSA-N	306.343	1.597	50	20	DDGD	
O=C(NNc1cnccn1)c1nn(-c2ccccc2)c2c1CCC2	114878058	WOCNXHGDBFYJOU-UHFFFAOYSA-N	320.356	1.908	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CCc1ccco1	55352856	DHVYBAGZTQFBGS-UHFFFAOYSA-N	302.330	1.611	50	20	DDGD	
CCSc1cc(C(=O)NNC(=O)Cc2cccnc2)ccn1	103423080	GMOQJRJTCICHMC-UHFFFAOYSA-N	316.386	1.592	50	20	DDGD	
COc1ccc2cc([C@H](C)C(=O)NN(C)C(N)=O)ccc2c1	179693156	CMVRIDURNMGHAE-JTQLQIEISA-N	301.346	1.994	50	20	DDGD	
CC1CCN(c2ccc(C(=O)NNC(=O)N(C)C)cn2)CC1	171402721	VNPIEQBUIISLCD-UHFFFAOYSA-N	305.382	1.234	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(F)cc2F)nc1	179786885	LLLOYHCPAQTEJR-UHFFFAOYSA-N	307.256	1.903	50	20	DDGD	
Nc1cc(C(=O)NNc2ccccc2[N+](=O)[O-])cc(Cl)n1	171181319	VKXMHZKUINHOBR-UHFFFAOYSA-N	307.697	1.982	50	20	DDGD	
C[C@@H]1[C@@H](C)[S@@](=O)CCN1CCI	306187802	NYWOSCZTAWBXFF-RWYTXXIDSA-N	301.193	1.263	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cccc(Br)c2)cn1	117679750	OPDYDZPWOHTRPJ-UHFFFAOYSA-N	323.150	1.257	50	20	DDGD	
CCOc1ccc(CC(=O)NNC(=O)Cc2ccncc2)cc1	175804398	YEDXCVIEJNXFIG-UHFFFAOYSA-N	313.357	1.413	50	20	DDGD	
CN(C)C(=O)c1ccc(C(=O)NNc2ccc(Cl)nn2)cc1	118499949	IRGULSABWMSVOS-UHFFFAOYSA-N	319.752	1.589	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2	119380257	XDLUTQFNRKJMPH-UTUOFQBUSA-N	309.410	1.711	50	20	DDGD	
CCOC(=O)NCC(=O)NNc1nc(C(F)(F)F)cs1	176831740	DCLAGHGRBMEZKW-UHFFFAOYSA-N	312.273	1.351	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1cccc([N+](=O)[O-])c1)N1CCCC1=O	178863073	BJUPXVBRALMRLS-CQSZACIVSA-N	320.349	1.685	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCC1(C#N)CCOCC1	1353947335	WAHYEVWNXLZXFU-UHFFFAOYSA-N	324.812	1.789	50	20	DDGD	
O=C(CN1CCc2c([nH]c3ccccc23)C1)NNC(=O)C1CC1	126553497	UZWKOKGTXYYPOH-UHFFFAOYSA-N	312.373	1.083	50	20	DDGD	
O=C(CCC(=O)c1cccs1)NNC(=O)NCc1ccco1	65177908	VHXUIJQQXPRAAT-UHFFFAOYSA-N	321.358	1.835	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cccc(C(F)(F)F)c1	186412469	CKMMXMVCUGPSLE-UHFFFAOYSA-N	305.256	1.895	50	20	DDGD	
CC1(C)CCC[C@@H]1NC(=O)NNc1ccc(-n2cccn2)nn1	79133332	STANCRPLUUPZPN-NSHDSACASA-N	315.381	1.867	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)c2cccc(N(C)C)c2)CC1	78360570	DXSQVSPREFTOSB-UHFFFAOYSA-N	304.394	1.887	50	20	DDGD	
O=S(=O)(CCCCCl)NC1CCN(CC2CC2)CC1	186998692	CDIGUCBKOFRDIT-UHFFFAOYSA-N	308.875	1.799	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)n1	181342922	YJLKCKVMUZHGBW-WQAKAFBOSA-N	306.366	1.530	50	20	DDGD	
CCCOc1ccc(NC(=O)NNC(=O)c2cnn(C)c2)cc1	183471220	USVAWESBIMOUDF-UHFFFAOYSA-N	317.349	1.675	50	20	DDGD	
CC(=O)N(C)CC(=O)NNc1cccc(Br)c1	120423508	UBRDRLIANVQQQN-UHFFFAOYSA-N	300.156	1.371	50	20	DDGD	
CCNC(=O)CN(CC)C(=O)c1c(C)nn(CCCl)c1C	74044610	YTECOQWZRFQLRY-UHFFFAOYSA-N	314.817	1.337	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)cn1	30816383	UGVJITDMHRUHHA-UHFFFAOYSA-N	304.737	1.442	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1ccccc1)c1c[nH]c2ccccc12	72814651	VBDUVHFWGJCEBF-HNNXBMFYSA-N	309.325	1.663	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(-n2cccn2)nn1)C1CCC1	128020215	PVJFVEQVRIEAMZ-SNVBAGLBSA-N	301.354	1.477	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@@H]2C[C@]2(C)C(C)C)cc1	188292088	IYGHEMUYONAKAR-WMLDXEAASA-N	319.405	1.937	50	20	DDGD	
Cc1cc(C(=O)NNc2ncnc3ccsc23)cc(O)n1	180693742	ORDRVAZJXSNEGA-UHFFFAOYSA-N	301.331	1.857	50	20	DDGD	
C[C@]12CCC(=O)N1[C@@H](C(=O)NNc1ccc(F)cc1)CS2	45970532	JBEXRDPXSSMTRE-RISCZKNCSA-N	309.366	1.723	50	20	DDGD	
Cn1cncc1CCC(=O)NNc1nc(-c2ccccc2)no1	193214565	JSZXRRQBDKKMFJ-UHFFFAOYSA-N	312.333	1.546	50	20	DDGD	
C[C@H](NC(=O)NNc1ncccn1)c1cccc([N+](=O)[O-])c1	194558367	LMASQXXIKKHMJA-VIFPVBQESA-N	302.294	1.772	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Cc2ccncc2)c2ccccc21	194997257	FTLNFQSSCQBPBU-UHFFFAOYSA-N	308.341	1.577	50	20	DDGD	
N#Cc1cccc(NC(=O)C(=O)NNc2ccc(F)cc2F)c1	131259887	PDSXCIXARCFWOG-UHFFFAOYSA-N	316.267	1.918	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CNC(=O)CCC2CCCC2)o1	84285463	TXXWEHXAVVHGLC-UHFFFAOYSA-N	321.377	1.436	50	20	DDGD	
COc1cccc([C@@H](C)C(=O)NNC(=O)c2cccn2C)c1	194403341	KNGSLXVWZXECPZ-LLVKDONJSA-N	301.346	1.598	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl	190052391	RINLNQYNFSRNNT-HTQZYQBOSA-N	314.744	1.501	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)N(C)CC(F)(F)F)o1	193478680	WGOIQGSJVVLVDO-MRVPVSSYSA-N	307.272	1.232	50	20	DDGD	
CC[C@H](C)[C@H](C)NC(=O)NNC(=O)COc1ccccc1C#N	98120760	UFCHRECKASMBEC-RYUDHWBXSA-N	318.377	1.702	50	20	DDGD	
C[C@@H](CBr)CN1CCC[C@H]1CN1CCOCC1	248760213	ULFZLQIRBAMSIY-STQMWFEESA-N	305.260	1.814	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)c2cnccn2)cc1OC	254482056	COHIQVNVSVBYKQ-UHFFFAOYSA-N	300.318	1.648	50	20	DDGD	
O=C(NCCCO[C@@H]1CCOC1)NNc1c(F)cccc1F	268088075	AKLAMXFHVJLOEP-SNVBAGLBSA-N	315.320	1.787	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C2CCSCC2)c1	264818083	MDAZOHLIXZKPHQ-UHFFFAOYSA-N	323.418	1.398	50	20	DDGD	
O=C(O)NCC(=O)NNc1nc(-c2ccc(Cl)cc2)no1	367707125	LKXOMVNPYSDWSB-UHFFFAOYSA-N	311.685	1.101	50	20	DDGD	
COCCCNC(=O)NNC(=O)C[C@@H]1OCCc2ccccc21	363224422	YCHCBMXNWKUPEC-AWEZNQCLSA-N	321.377	1.057	50	20	DDGD	
O=C(NNC(=O)c1csc([C@@H]2CCCO2)n1)NC1CCCC1	270022625	FPIIHWJLWJXUPQ-NSHDSACASA-N	324.406	1.881	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ccc(OC2COC2)cc1	275440919	KGBZBNJUQVFYLB-UHFFFAOYSA-N	305.334	1.417	50	20	DDGD	
O=C(NNC(=O)c1ccc2nc[nH]c2n1)NC1CCCCC1	273377168	MDJATMIWAQKDFZ-UHFFFAOYSA-N	302.338	1.235	50	20	DDGD	
COC1(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCC1	276547898	GNHYJLZJYBRUBW-UHFFFAOYSA-N	307.306	1.315	50	20	DDGD	
CC(C)NC(=O)NNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1	272594039	UBBBBEFJEPZULX-UHFFFAOYSA-N	316.264	1.425	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCc1cnc(N(C)C)n1C	274482309	CJBILMZHJQLQGM-UHFFFAOYSA-N	320.372	1.760	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H]2CCO[C@@H](C)C2)c1	272647595	JLPOIVPTNKTRNO-NWDGAFQWSA-N	321.377	1.914	50	20	DDGD	
CC1(C)OCC(C)(C(=O)NNc2ccc([N+](=O)[O-])cc2)CO1	272164752	ZVCVMKODYWLIIL-UHFFFAOYSA-N	309.322	1.827	50	20	DDGD	
CC(C)[C@@H](O)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	287298354	ZWVBUILIZDFTQI-BXKDBHETSA-N	314.769	1.272	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2ncccc2F)[C@]12CCCO2	286913085	UMHUPYCXILFSEJ-LALPHHSUSA-N	324.356	1.573	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C1=CCCCC1	289386482	LYLKPWUDMHHWEQ-UHFFFAOYSA-N	303.362	1.755	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)NCc1ccc(Cl)cc1	280645211	CTKKJIYYFJHYRK-AWEZNQCLSA-N	313.785	1.986	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CC[C@H](C(F)(F)F)[C@H](CO)C1	286282363	OGXSNLFDDKCPKI-WRSFFWLLSA-N	306.284	1.450	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H]1C(=O)NNc1cnc2ccccc2n1	285992657	GNSVTFCLVFKPIJ-NXEZZACHSA-N	300.318	1.272	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H](C)OC[C@@H]1CCCO1	288613800	IWCZFVVVQBBIJJ-AAEUAGOBSA-N	323.349	1.930	50	20	DDGD	
CCCCOCCNC(=O)NNc1ccc(-n2ccnc2)nn1	288310383	WFRAGCWUMLMPKZ-UHFFFAOYSA-N	319.369	1.105	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H](C)CN2CCCCC2)n1	280222656	JTYHBOYSULHQLQ-CYBMUJFWSA-N	319.409	1.208	50	20	DDGD	
COC(=O)N(C)NC(=O)CCCc1ccc2c(c1)CC(=O)N2	286252262	HAJZPGNXPHMZEM-UHFFFAOYSA-N	305.334	1.233	50	20	DDGD	
Cc1ccc(O[C@H](C)C(=O)NNC(=O)N=c2cc[nH]cc2)cc1	802036473	XPRYGZOOKGQECN-GFCCVEGCSA-N	314.345	1.432	50	20	DDGD	
Cc1cccc(OC[C@H](C)NC(=O)NNc2ccncn2)c1	296387900	PUCUBYHMFURLSP-LBPRGKRZSA-N	301.350	1.879	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NNc1cccnn1	295990318	XARISLZSWFHZPP-LLVKDONJSA-N	323.397	1.955	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNC(=O)COc1ccc(F)cc1	299263200	MWSAZNPRSMYWSF-LLVKDONJSA-N	312.341	1.557	50	20	DDGD	
O=C(/C=C/c1c(F)cccc1F)NNC(=O)[C@H]1CCCCO1	295780938	SPAGCAIPPRXEDE-SBDDDAINSA-N	310.300	1.695	50	20	DDGD	
CC[C@@H](C)CONC(=O)NNC(=O)COc1ccccc1C#N	291721549	HKVGBSIJOCQEHD-LLVKDONJSA-N	320.349	1.245	50	20	DDGD	
CC(C)(C(=O)NNc1cccc(Cl)n1)S(=O)(=O)C1CC1	293756232	SZPQJCPFWJRAIM-UHFFFAOYSA-N	317.798	1.534	50	20	DDGD	
NC(=O)Cc1occc1C(=O)NNc1ccc(Cl)c(F)c1	802832596	OQDFMXBLZTYLJK-UHFFFAOYSA-N	311.700	1.857	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNc1cccc(Cl)n1	293680604	LJJNFZKLWCVVAE-UHFFFAOYSA-N	300.746	1.703	50	20	DDGD	
COc1cccc(C)c1NC(=O)C(=O)NNc1cccc(F)n1	807393011	SGGRPJWAAPFNQD-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)CSC2CC2)nc1C	295135637	YRMAPQQEPXGBAI-UHFFFAOYSA-N	310.379	1.300	50	20	DDGD	
C/C=C/COc1cccc(CC(=O)NN(C)C(=O)NCC)c1	297113936	LXDDBCYYWVCJBB-GQCTYLIASA-N	305.378	1.877	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)N=c2cc[nH]cc2)c1C	802036300	SYRMWGRUMJKZPN-UHFFFAOYSA-N	315.333	1.118	50	20	DDGD	
Cc1cccc2c1OC[C@H](NC(=O)NNC(=O)C(C)(C)C)C2	291012668	DOMUNAYWWVFGQS-GFCCVEGCSA-N	305.378	1.675	50	20	DDGD	
C#CCO[C@@H](C)C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	294453022	TUDOTEKKCXOSOZ-UONOGXRCSA-N	318.373	1.256	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2ccc(-n3ccnc3)nn2)CCC1=O	804953243	IKOJBSDFSQUWQP-QWRGUYRKSA-N	314.349	1.111	50	20	DDGD	
O=[N+]([O-])c1c(O)nc(O)nc1/C=C/c1cnn(CCCl)c1	806563599	VBEWBOFETMAEBL-OWOJBTEDSA-N	311.685	1.402	50	20	DDGD	
O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCC(Cl)Cl	816604229	CDHNGLMLDAJNQK-DTORHVGOSA-N	321.204	1.472	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CC(C)(C)Oc2cc(O)ccc21	814900743	GNLGBPZVVNZAEZ-UHFFFAOYSA-N	321.333	1.130	50	20	DDGD	
O=C(NN=C1CCOc2c(Cl)cccc21)C(=O)N1CCCC1	814824881	OHAMMRZVPWGODI-UHFFFAOYSA-N	321.764	1.565	50	20	DDGD	
O=C(NN=C1CC[C@@H]1C1CC1)c1csc(N2CCOCC2)n1	814749632	GNSWEFVCHCBPBU-LLVKDONJSA-N	320.418	1.886	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2c[nH]c(C(=O)OC)c2)c1	816016931	HOROQRXUIDROBD-UHFFFAOYSA-N	317.301	1.345	50	20	DDGD	
COC(=O)Cc1occ(C)c1C(=O)NNc1ncccc1F	811522194	DWKVJWBNOJMOSS-UHFFFAOYSA-N	307.281	1.595	50	20	DDGD	
C=C[C@H](O)C(=O)NNC(=O)c1ccc(OCCCCCC)cc1	816830894	YEUXGOAKGMOIFM-HNNXBMFYSA-N	320.389	1.954	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)Oc1ccc(F)cc1)c1cnnn1C	814751966	VPXYSXKKUKLULT-SNVBAGLBSA-N	305.313	1.262	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)c2cc(CO)on2)c(OC)c1	812225659	MCDTVSGTTWXIML-UHFFFAOYSA-N	319.317	1.338	50	20	DDGD	
CC(=NNC(=O)N=c1cc[nH]cc1)c1ccc2c(c1)OCCO2	815001404	ILYFRCQHKOQJGS-UHFFFAOYSA-N	312.329	1.820	50	20	DDGD	
C[C@@](C#N)(CC(=O)O)C(=O)NNC(=O)CCC1CCCCC1	819847349	LKERFHJOIKWRCX-HNNXBMFYSA-N	309.366	1.499	50	20	DDGD	
Cc1nc2cc(F)cc(C(=O)NN(C)[C@H](C)CO)c2nc1C	823971085	OHHRLQAEOIXGCU-MRVPVSSYSA-N	306.341	1.343	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)s1	822825464	GWNVXNVNIQMEDZ-UHFFFAOYSA-N	323.341	1.564	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C(=O)OC)[C@@H]1CCC[C@@H](OC)C1	491011191	OCQITIZXSMCKOY-HWBIDXAFSA-N	324.377	1.293	50	20	DDGD	
COc1ccc(C2(C(=O)NN(C)[C@@H](C)CO)CCC2)cc1OC	823935740	WCRPXOVSQAWPDY-LBPRGKRZSA-N	322.405	1.469	50	20	DDGD	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)Cc1cccnc1	728852073	KWFOODMWQZUVQL-GFCCVEGCSA-N	324.340	1.111	50	20	DDGD	
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)c2ccccc2)C1=O	825583047	JNZQMYOJFCJPNX-GFCCVEGCSA-N	318.377	1.030	50	20	DDGD	
CCCCS(=O)(=O)CC(=O)NNc1ccc(Cl)cn1	825660868	CGDVOTRINLZDLQ-UHFFFAOYSA-N	305.787	1.393	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)c1cc(Cl)ccc1O	823975279	ZYEJQDYDLROSLV-NSHDSACASA-N	300.742	1.622	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1C[C@H]1c1cccc(F)c1	825795321	JZQSFNAMSMGIIC-HBEIAFGSSA-N	321.352	1.437	50	20	DDGD	
CCc1ccc(C(C)(C)NCC(=O)NNC(=O)C(C)C)cc1	828699412	ZFJBMPHZEAMLOI-UHFFFAOYSA-N	305.422	1.877	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(N(C)C)cc(C(F)(F)F)c1	823893236	AJXYWVPMXGOAKB-UHFFFAOYSA-N	319.327	1.730	50	20	DDGD	
O=C(Cc1ccccc1F)NN=Cc1ccccc1-c1nn[nH]n1	826423839	JBXMWSWQRJIVKQ-UHFFFAOYSA-N	324.319	1.699	50	20	DDGD	
Cc1oc(-c2ccccc2)nc1C(=O)N1CC[C@@H](B(O)O)C1	585073987	HJMSSCNXBQIYAQ-GFCCVEGCSA-N	300.123	1.339	50	20	DDGD	
C[C@]1(c2cccs2)C[C@H]1CNCc1cccc(B(O)O)c1	585024055	SMIMSVMVMXBQPC-BBRMVZONSA-N	301.220	1.495	50	20	DDGD	
Cc1cc(C)cc([C@@H](C)NCc2ccc(B(O)O)cc2F)c1	585021450	KWBLLUKWRBQQAH-CYBMUJFWSA-N	301.170	1.973	50	20	DDGD	
CCN(CCO)NC(=O)CN[C@@H](c1ccccc1)C(F)(F)F	823860705	ZFMCRWVCSRUHPH-ZDUSSCGKSA-N	319.327	1.225	50	20	DDGD	
CCCN1Cc2cccc(NC(=O)c3ccc(B(O)O)cc3)c2C1	584939358	JSTLJJFZHLYTBH-UHFFFAOYSA-N	324.189	1.344	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](C)c1ncc(C(=O)OC)s1	491163124	VNCOJPWEYPPICP-FZGDARCMSA-N	309.347	1.551	50	20	DDGD	
CCNC(=O)NNC(=S)NCc1cccc(C(F)(F)F)c1	726481585	DMTXXIKLLZNEBF-UHFFFAOYSA-N	320.340	1.904	50	20	DDGD	
OB(O)c1ccc(CNCCCCCc2ccc(F)cc2)o1	585036398	GOEOREXTXMFVDG-UHFFFAOYSA-N	305.158	1.601	50	20	DDGD	
Cc1ncc(/C=C\C(=O)NNc2nc3ccccn3n2)s1	492986845	RMUOAERKGLGFGI-WAYWQWQTSA-N	300.347	1.651	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(C)CCN(C)C(=O)OC(C)(C)C	490782834	KXCVGXPHORVFKR-QXMHVHEDSA-N	311.382	1.756	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NN=C1COC(C)(C)C1	497154858	QRCRVFJDJFCSIS-UHFFFAOYSA-N	314.386	1.365	50	20	DDGD	
CCN(CC)CCCCNC(=O)/C(C#N)=C/c1cnn(C)c1	491136541	WDNDTVOYCZRGDL-XNTDXEJSSA-N	303.410	1.565	50	20	DDGD	
CCOc1cc(C(=O)NNC(=O)c2cc3c(s2)CCC3)on1	822201530	LAVZRXZPZZIEIG-UHFFFAOYSA-N	321.358	1.698	50	20	DDGD	
CC(C)C(=O)NNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1	822203943	WOYIKRUUMOXNNT-UHFFFAOYSA-N	307.306	1.361	50	20	DDGD	
O=C(O)CSCC(=O)NNc1ccccc1Br	821536360	DNPSHOLIUDIEPW-UHFFFAOYSA-N	319.180	1.710	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCN(Cc2ccsc2)CC1	731499613	XVVPEJYBJCQGPN-UHFFFAOYSA-N	324.450	1.653	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)o1	585038840	JAAMECSEYXHNRH-MJHDQNEOSA-N	307.105	1.273	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@]2(C)CCC(=O)N2)c(Cl)c1	838735123	RIZSYGVUNZKPKL-AWEZNQCLSA-N	310.785	1.943	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)NC(=O)NNc1c(F)cccc1F	838695532	ZPDCZWFMQOIALR-SECBINFHSA-N	309.320	1.956	50	20	DDGD	
C[C@@H](Cc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCCCO1	833250808	MNSPHYKXXFBKTB-FZMZJTMJSA-N	308.353	1.721	50	20	DDGD	
Cc1nc(CNC(=O)NNC(=O)C2CCC2)nc2ccccc12	732244426	FSEPBXZMEGQHJN-UHFFFAOYSA-N	313.361	1.569	50	20	DDGD	
C[C@@H]1OCC[C@]12CN(C(=O)[C@@]1(C)C[C@@H]1Br)CCO2	907877053	YTUYGMUBTUZJIQ-UKJIMTQDSA-N	318.211	1.566	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)[C@H]1Cc2ccccc2O1	732110980	VMPLZDJVMRINOP-CYBMUJFWSA-N	323.312	1.578	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCOC1)c1ccnn1CC1CCC1	901254389	KXRZYQLLHUYAAY-AWEZNQCLSA-N	304.394	1.950	50	20	DDGD	
Cc1ccc(C(=O)NNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1O	905539782	ZPWQPRMQKWUONA-GMXVVIOVSA-N	319.430	1.998	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCCO1)c1ccc(C(=O)N(C)C)cc1	834984935	DZGVHGSRXQEVNJ-OAHLLOKOSA-N	317.389	1.798	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)CNC(=O)c2ccco2)C1(C)C	736430816	ITUWWOCLNLLJDU-LBPRGKRZSA-N	307.350	1.317	50	20	DDGD	
CCC(=NNC(=O)CNC(=O)c1cccnc1)C1CCCC1	834961510	LYOGGMNBZPDGEA-UHFFFAOYSA-N	302.378	1.884	50	20	DDGD	
O=C(N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12)c1ccc(B(O)O)c(F)c1	584935776	XVLLJCUJTPKGQX-XRMRDTNMSA-N	317.169	1.060	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2cnc(C)s2)cc1	917542692	MFUHTRSXASZJEP-UHFFFAOYSA-N	302.359	1.849	50	20	DDGD	
Cc1cc(C(=O)NN(C)C[C@H](C)O)cc(C(=O)OC(C)(C)C)c1	910150900	WHQHOBHXSYRHBE-LBPRGKRZSA-N	322.405	1.908	50	20	DDGD	
C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)NS(=O)(=O)CCl	832545355	SRGISRYKKPAUCV-VHSXEESVSA-N	316.810	1.468	50	20	DDGD	
O=C(Cc1ccc(-n2cccn2)cc1)NNC(=O)c1ccccn1	915635927	ZBPCJUNFZPWEMC-UHFFFAOYSA-N	321.340	1.271	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)COc2ccc(F)cc2)c2nccn21	834929429	BZWWQGIMGXWMNJ-SNVBAGLBSA-N	302.309	1.886	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Cc1cnn(-c2ccccc2)n1	917180810	YECSIVAKIIXDJI-UHFFFAOYSA-N	301.350	1.003	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H](C)c1cnn(C)c1)c1ccccc1	749991519	XTGCZHSTXGXDAA-DOMZBBRYSA-N	314.389	1.865	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H](C)CSc1ccc(F)cc1	910168030	YZSPVGKRYXQLCW-QWRGUYRKSA-N	300.399	1.898	50	20	DDGD	
Cc1cc(F)cc(C)c1C(=O)NNC(=O)NCC(F)(F)F	847117425	VDYPEQRJANBEHA-UHFFFAOYSA-N	307.247	1.949	50	20	DDGD	
C[C@@H]1C[C@@H](C)CN(CCCNC(=O)NNC(=O)C2CCCC2)C1	916460613	NXBWFCBGRZGNRC-ZIAGYGMSSA-N	324.469	1.875	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)CC(F)(F)F)s1	918366184	LNYVIQWDGUSEIN-UHFFFAOYSA-N	310.253	1.248	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cccc2ncccc12)[C@H](C)O	842231689	MZTZBCAJGCTADE-QWRGUYRKSA-N	301.346	1.403	50	20	DDGD	
CN(C)c1c(Cl)cccc1NC(=O)NNC(=O)CCCN	841052133	ZSZNQSHKXHPHMC-UHFFFAOYSA-N	313.789	1.298	50	20	DDGD	
COc1ccc2onc(CC(=O)NNC(=O)NCC3CC3)c2c1	841385604	XVQHMWKRFGJXED-UHFFFAOYSA-N	318.333	1.119	50	20	DDGD	
Cn1ncc(C=NNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)n1	844626842	CLJROUAOWGEEIB-CABCVRRESA-N	313.361	1.433	50	20	DDGD	
O=C(NNc1ccccc1Cl)C1CCS(=O)(=O)CC1	748301797	JHLUKDFMJRPNHJ-UHFFFAOYSA-N	302.783	1.608	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=C1C[C@H](C)n2ncnc21	841606648	IXLLVBZWBSLALW-VIFPVBQESA-N	309.333	1.333	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1	915109851	NWXREMOZUGNLIB-CYBMUJFWSA-N	324.425	1.108	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C[C@@](C)(O)C2CC2)cc1	846377855	NRZNMTJZHVNQBH-MRXNPFEDSA-N	306.362	1.396	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)C[C@H](C)CC(C)(C)C	740851041	MUUWMBQCBMCTBJ-NSHDSACASA-N	313.442	1.901	50	20	DDGD	
C[C@H]1CC[C@H](C)N1CC(=O)NNc1nc(-c2cccnc2)no1	746240927	CSVUYUKZGXPMLB-QWRGUYRKSA-N	316.365	1.448	50	20	DDGD	
Cc1nnc(NNC(=O)C2(c3cccc(F)c3)CCC2)nc1O	749523731	GZFCXCNNABOQJL-UHFFFAOYSA-N	317.324	1.590	50	20	DDGD	
CC(CN1Cc2ccccc2C1)=NNC(=O)[C@@H]1CCO[C@H]1C	842560515	MIJWOIFGASQCEQ-XJKSGUPXSA-N	301.390	1.919	50	20	DDGD	
COc1cccc(C=NNC(=O)[C@@H](C)CN2CCOCC2)c1	916362827	PGDQCKGQDIIQBP-ZDUSSCGKSA-N	305.378	1.114	50	20	DDGD	
Cc1ccsc1C=NNC(=O)c1ccc(-n2cnnn2)cc1	916349604	FJAHWXBBNPADAG-UHFFFAOYSA-N	312.358	1.796	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)[C@@H](C)CN2CCOCC2)cc1	916361766	FMZHATVGFRKWME-ZDUSSCGKSA-N	319.405	1.504	50	20	DDGD	
Cn1ncc2cc(C(=O)NNC(=O)CCc3ccccc3)cnc21	747303235	CPYFOIQJLUEDEV-UHFFFAOYSA-N	323.356	1.362	50	20	DDGD	
Cc1ccncc1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	741889891	YRWALAACFQGEGZ-LLVKDONJSA-N	317.320	1.758	50	20	DDGD	
CC(C)[C@@H](N)CNC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	841944474	IWQKGGBVKHMTKV-ZDUSSCGKSA-N	322.413	1.072	50	20	DDGD	
CCCN[C@@H](C)C(=O)NNc1ncc(Br)cn1	848436138	HLUFGHYPFSYEHF-ZETCQYMHSA-N	302.176	1.070	50	20	DDGD	
O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)N1CCCC1	747823297	GYJMKPXNATZMCN-UHFFFAOYSA-N	324.406	1.260	50	20	DDGD	
O=C(NN=C1CCC[C@H]1c1ccc(F)cc1)C(=O)NC1CC1	741163311	KLVFTAPSYKUDKZ-ZDUSSCGKSA-N	303.337	1.844	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=S)NCC1CC1	849253234	BFPZSYYWRIMTCL-UHFFFAOYSA-N	313.810	1.868	50	20	DDGD	
Cc1[nH]c2ccc(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)cc2c1C	843973527	IOAPIARKMYRSPD-YPMHNXCESA-N	315.373	1.971	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccccc1	843652393	SOHIWVAGAXENLJ-FFSVYQOJSA-N	306.362	1.121	50	20	DDGD	
O=C(NCCO[C@@H]1CCOC1)NNc1c(F)cccc1F	927516956	HTEPVTYHJRMKAN-SECBINFHSA-N	301.293	1.396	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cnc(Br)c(C)c1	757997726	RJJSMDXNAZLDPS-UHFFFAOYSA-N	301.144	1.715	50	20	DDGD	
N#Cc1cc(F)c(C(=O)NNC(=S)NCC2CCC2)c(F)c1	855090656	KIIUTOJSKHYOTK-UHFFFAOYSA-N	324.356	1.745	50	20	DDGD	
CNc1ccc(C(F)(F)F)cc1C(=O)NNc1cnnn1C	857270142	QCNVEBGBVKKERC-UHFFFAOYSA-N	314.271	1.633	50	20	DDGD	
Cc1ccc(NNC(=O)NCC(=O)N2CCCCC2)cc1F	853356631	IWZIMJDMQQPVRF-UHFFFAOYSA-N	308.357	1.773	50	20	DDGD	
O=C1CSC[C@@H](C(=O)NNc2ccccc2C(F)(F)F)N1	929771154	KUQFTRKWSCPHRD-VIFPVBQESA-N	319.308	1.380	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccn(-c2cccc(F)c2)n1	920284831	NSKUOQVBRFEEFV-UHFFFAOYSA-N	304.325	1.819	50	20	DDGD	
Cc1cc(Cl)cc2c1OCCC2=NNC(=O)C(=O)NC1CC1	750934384	VGWRWBYOQARIEL-UHFFFAOYSA-N	321.764	1.530	50	20	DDGD	
C[C@]1(O)CCCN(C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	856955454	XCGDIEXMWMNWOF-WCQGTBRESA-N	305.216	1.716	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(Cl)cn1)c1nnnn1C1CC1	852277450	NPSVECUUAFBMLJ-ZETCQYMHSA-N	322.760	1.444	50	20	DDGD	
CCC(=O)N1CCC(=NNC(=O)c2cccc(C(=O)O)c2)CC1	853426200	PIMVMEZBYLLVJU-UHFFFAOYSA-N	317.345	1.503	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)CC(F)(F)F)cc1C=O	855000931	QRKOIPHWUSFKCX-UHFFFAOYSA-N	302.252	1.829	50	20	DDGD	
COc1cc(C)cc(C(=O)NNC(=O)OCC(F)(F)F)c1O	856021965	OXZNPCLZZJSNCA-UHFFFAOYSA-N	322.239	1.643	50	20	DDGD	
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NNC(=O)CCc1ccccc1O	857119643	UUPNQEMQMLGRQN-TZMCWYRMSA-N	320.389	1.676	50	20	DDGD	
C[S@](=O)CCNC(=O)NNc1cc(Cl)ccc1Cl	753002719	KBIOZUHKSJPPOO-SFHVURJKSA-N	310.206	1.998	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@@H]2CCO)C[C@@H]1Br	856952677	MBFLCELZTZZYKW-JFGNBEQYSA-N	305.216	1.716	50	20	DDGD	
CC(=O)N1CCC(NC(=O)NNc2ccc(C)c(F)c2)CC1	853246330	XRSAFTJDLFGKCO-UHFFFAOYSA-N	308.357	1.771	50	20	DDGD	
CC(=O)NNC(=O)Cc1sc(SCC(C)C)nc1C	854155078	DVQCCWXNHWFILJ-UHFFFAOYSA-N	301.437	1.909	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)c1cccc(F)n1)OC	852354177	JTHCDYUZCXZBOE-UHFFFAOYSA-N	312.345	1.370	50	20	DDGD	
C[C@H](c1nnnn1C1CC1)N(C)NC(=O)OCc1ccccc1	859386102	CJTMEOCPTAQOGP-LLVKDONJSA-N	316.365	1.842	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=Cc1ccccc1C#N	853407008	BFAZPMHMOQTCSE-UHFFFAOYSA-N	314.389	1.951	50	20	DDGD	
COCCOC1CCN(C(=O)NNC(=O)C2CCCC2)CC1	753354344	IFRWSDMBQUYJRW-UHFFFAOYSA-N	313.398	1.045	50	20	DDGD	
CCc1cnc(O)c(C(=O)NNC(=S)NCC2CCC2)c1	855092831	CAWCOMAUDCNXID-UHFFFAOYSA-N	308.407	1.259	50	20	DDGD	
Cn1nncc1NNC(=O)CCN(C(=O)OC(C)(C)C)C1CC1	857270291	WOKUYWBRSCJOFO-UHFFFAOYSA-N	324.385	1.048	50	20	DDGD	
C[C@]1(CNC(=O)NCc2ccc(O)nn2)C[C@@H]1Br	856907666	CWYUWXTUFJQFIT-GZMMTYOYSA-N	315.171	1.155	50	20	DDGD	
C[C@@H]1CC/C(=C\C(=O)NNC(=O)c2ccc3c(c2)OCO3)C1	753561476	CIKUHRZFULZGEM-UEUZTHOGSA-N	302.330	1.923	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](NC(=O)NC[C@@]2(C)C[C@H]2Br)C1	856917591	YLDJKHDXTVTLAP-JXVAYASWSA-N	319.199	1.411	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	754672575	CTFQHHAJOKHQHJ-SFGNSQDASA-N	321.299	1.227	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C1CCC[C@@H]1Cc1ccccc1	863190077	ZKQLVENHBQGNEV-CYBMUJFWSA-N	308.403	1.546	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CN(C)C1CCC1	863851997	GJWCLKYDWCWWDD-LLVKDONJSA-N	323.368	1.225	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2	860190072	OJJCGBYWSYMCIP-XREXNNHRSA-N	324.421	1.938	50	20	DDGD	
C=CCN1CCC(NS(=O)(=O)CC(C)(C)CCl)CC1	866744016	AWJLNEIKXBJXJS-UHFFFAOYSA-N	308.875	1.821	50	20	DDGD	
COCC(=O)NN=Cc1ccc(NC(=O)OC(C)(C)C)nc1	761822012	RREZATATGCFIQS-UHFFFAOYSA-N	308.338	1.525	50	20	DDGD	
COC[C@@](C)(NC(=O)NNc1ccc(OC)cn1)C(F)(F)F	932330108	MFIZPAGVPWXEGE-LLVKDONJSA-N	322.287	1.684	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNc1ncc(Br)cn1	862145044	LSBMWJZNZWITOT-VIFPVBQESA-N	317.187	1.887	50	20	DDGD	
Cc1nn(C)c(C)c1C(=NNC(=O)c1cn[nH]c1)C(F)(F)F	863155178	ZZTYKZFZSKTIII-UHFFFAOYSA-N	314.271	1.456	50	20	DDGD	
COCC(=O)NNC(=S)Nc1c(C)cc(C)cc1Cl	761839477	UYTBXINZOHFQLU-UHFFFAOYSA-N	301.799	1.921	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1ccc(F)cc1Cl	767781346	BVXKLNDXLUGCJM-UHFFFAOYSA-N	323.711	1.952	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)OCC2(CO)COC2)c1	763633038	VWWYPIXPEYVUQK-ACAGNQJTSA-N	303.314	1.154	50	20	DDGD	
COCc1ccc(C=NNC(=O)[C@H](C)CN2CCCCC2)o1	764665234	DRBGDILPZHZGNR-CYBMUJFWSA-N	307.394	1.998	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2ncnc3ccsc23)CCC1	766673970	RMNDFSVFKHPFSR-UHFFFAOYSA-N	305.363	1.051	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1Cl	862456594	ZQHKIWOUOKTJHR-LLVKDONJSA-N	323.780	1.044	50	20	DDGD	
COc1cc(O)c(C=NNC(=O)Cc2ccncc2)cc1OC	768367949	SVDUSVXOLPYDQS-UHFFFAOYSA-N	315.329	1.497	50	20	DDGD	
CS(C)(=O)=Nc1cccc(NCc2ccc(B(O)O)cc2)c1	864015050	BOUBEPZFDNCAPM-UHFFFAOYSA-N	318.207	1.338	50	20	DDGD	
CC(C)Oc1cccc(C(=O)NNc2nncc(N)c2Cl)n1	1116379900	JJWDYMBAMNNHNA-UHFFFAOYSA-N	322.756	1.651	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2	866809909	QISWAEXOMCLUPR-ZSBIGDGJSA-N	308.875	1.701	50	20	DDGD	
CC(F)(F)C1(C(=O)NNc2cccc(S(C)(=O)=O)c2)CC1	1118749298	SLPHWFDXUGSKBX-UHFFFAOYSA-N	318.345	1.969	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CCCOC1CCOCC1	864429426	WIAPTSJDDMRSGQ-UHFFFAOYSA-N	302.371	1.518	50	20	DDGD	
CCc1ccccc1OCCC(=O)NNC(=O)c1cn[nH]c1	862470395	PBZSFJIDYTVFEC-UHFFFAOYSA-N	302.334	1.202	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc2c(c1)ncn2C	761267932	WMTKESWNVZQFMM-NSHDSACASA-N	304.350	1.075	50	20	DDGD	
Cc1cccc(NNC(=O)CCn2cc([N+](=O)[O-])nc2C)n1	862523817	OOFGWGIMTCWJMB-UHFFFAOYSA-N	304.310	1.337	50	20	DDGD	
Nc1ccc2c(c1)C(=NNC(=O)[C@@H]1CCC(=O)N1)CCCC2	863150857	DCHQVASJJPUDGE-AWEZNQCLSA-N	300.362	1.094	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)nc1	760441630	BBKFJNKWMLOZCO-UHFFFAOYSA-N	322.365	1.066	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccccc1SC(F)(F)F	763516139	ZONHBWLBLWIKCQ-UHFFFAOYSA-N	321.280	1.404	50	20	DDGD	
Cc1cccc(C)c1CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	1118124317	BUKKNILSRUDBIW-CHWSQXEVSA-N	305.378	1.559	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(COC(C)C)cc1	763441027	PXHNJDKCEAOZBC-UHFFFAOYSA-N	307.350	1.108	50	20	DDGD	
Cc1nn(C)c(=O)c(C(=O)NNc2cnc3ccccc3n2)c1C	765990772	XTLXVOWLWVTSGZ-UHFFFAOYSA-N	324.344	1.097	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1Cl	766432748	BFCZOPUKSMVKSS-NSHDSACASA-N	314.794	1.533	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@]12CCOC2)c1nc2ccccc2s1	874914257	QJINTPGFKYVMLH-BJOHPYRUSA-N	317.370	1.484	50	20	DDGD	
Cc1nc(SCC(=O)NN(C)C(N)=O)c(C#N)c(C)c1C	778415125	QVSTWNYREZNQOG-UHFFFAOYSA-N	307.379	1.012	50	20	DDGD	
C[S@@](=O)c1cccc(C(=O)NNC(=O)CC2CCCC2)c1	771741968	SMOIBDVZQCDUFQ-OAQYLSRUSA-N	308.403	1.765	50	20	DDGD	
O=C(CCN1CCOCC1)NNc1ccc2ccccc2n1	777467164	XDNRYMGWEKWAFD-UHFFFAOYSA-N	300.362	1.400	50	20	DDGD	
CNS(=O)(=O)C[C@H]1CCCN1C[C@H](C)CBr	770667630	RDOLPHFWBNLMHM-NXEZZACHSA-N	313.261	1.031	50	20	DDGD	
CCc1nn(C)c(OC)c1C=NNC(=O)c1ccc(OC)cc1	1117741217	PWPHZXQSJUHFLF-UHFFFAOYSA-N	316.361	1.764	50	20	DDGD	
COc1cc(C(=O)NNc2ncc(Cl)cc2Cl)nn1C	775273409	WDYMVOYAVMRSSS-UHFFFAOYSA-N	316.148	1.887	50	20	DDGD	
C[C@](O)(CCNC(=O)NNC(=O)C1CCC1)c1ccccc1	777747263	LHJSOYIIXMXAKP-INIZCTEOSA-N	305.378	1.415	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2nccs2)c1	770073326	MYXUWNXMXHDCCO-UHFFFAOYSA-N	305.359	1.600	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Nc2ccncn2)c1	770758196	FXOJNNJKLQNWFL-UHFFFAOYSA-N	301.306	1.017	50	20	DDGD	
COc1cc(C=NNC(=O)CO)ccc1OCc1ccccc1	776778282	WGJNZJMMTLYUFH-UHFFFAOYSA-N	314.341	1.717	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C#N)cc1	771881669	OJMGSHGPTUBMKX-LLVKDONJSA-N	317.345	1.297	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H](NC=O)C(C)C)c1	873758109	PKSNTHWYWYKKHM-ZDUSSCGKSA-N	322.434	1.392	50	20	DDGD	
Cc1nccc(NC(=O)NNC(=O)c2cccc(Cl)c2)n1	776495178	AQHHBKGAQSIJFX-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@H](C)c1c(C)n[nH]c1C	772214073	WQAXSLBRRJCXLO-KWQFWETISA-N	324.381	1.009	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)co1	776320986	PRTNEAKCVVATBH-MRVPVSSYSA-N	307.281	1.351	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@](C)(O)C(C)C)cc1C	770211988	LJGIFKSECSIXRK-INIZCTEOSA-N	308.378	1.237	50	20	DDGD	
CC1(c2nccc(NC(=O)NNC(=O)CC(F)(F)F)n2)CC1	888040019	DJZZSKJTCOAAIR-UHFFFAOYSA-N	317.271	1.633	50	20	DDGD	
COCCCNC(=O)NN=C1CCN(CCC(F)(F)F)CC1	779770221	BUVAMNJPISYISX-UHFFFAOYSA-N	324.347	1.726	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cn3c(n2)CCCC3)cc1O	882051505	SNRPBCUDJCPLGQ-UHFFFAOYSA-N	314.345	1.308	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](CC)NC(=O)OC(C)(C)C	887143263	RTXBPPSOYKUWQR-NSHDSACASA-N	311.382	1.241	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CCOCC2)c(C)n1C(C)C	883058964	HJQHDTDOGCNROB-UHFFFAOYSA-N	307.394	1.873	50	20	DDGD	
O=C(NNC(=O)C1(CCOCc2ccccc2)CC1)C1CC1	770209122	MNBBJJOQTOATLI-UHFFFAOYSA-N	302.374	1.931	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1)c1cccnn1	882056353	QQSWXGMUQDLEIY-HUUCEWRRSA-N	324.384	1.897	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NN=C2COC[C@@H]2C)n[nH]1	884439096	UBOUOJJYGHGEAU-JTQLQIEISA-N	314.345	1.837	50	20	DDGD	
COCCCN(C)c1nnnn1C[C@@]1(C)C[C@H]1Br	1120324273	IHFUWMCPUZIJAV-MWLCHTKSSA-N	318.219	1.319	50	20	DDGD	
C=C(CBr)n1cc(C[C@@]2(O)CCSC2)nn1	881316713	SZRWKJXZXPICBU-JTQLQIEISA-N	304.213	1.554	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1cc(Cl)cs1	782220571	UTWFFHJCPNQPGP-UHFFFAOYSA-N	311.750	1.875	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccn(CCC(F)(F)F)n1	1123565680	ZTCMZDSGQKIQEK-UHFFFAOYSA-N	304.272	1.397	50	20	DDGD	
COC(=O)C[C@@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(C)(C)C	889170503	XLICNWIEQRZSCA-XEVNVYFWSA-N	318.377	1.421	50	20	DDGD	
Cc1nn[nH]c1C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	789871839	PJQUSYXEKCPOKO-SSDOTTSWSA-N	319.390	1.374	50	20	DDGD	
COC[C@](C)(O)C(=O)NNc1cc(Br)ccc1F	885148070	WBUGHIUQZXMWEZ-NSHDSACASA-N	321.146	1.429	50	20	DDGD	
COCC[C@@H](Cc1ccco1)NC(=O)NNC(=O)C(C)(C)C	784310075	UBFFGOZWWMJKPA-NSHDSACASA-N	311.382	1.604	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)N[C@H]1[C@@H]2c3ccccc3CC[C@H]21	883540134	VCTXBJMFCBWTMN-BPLDGKMQSA-N	323.356	1.149	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)NNc1cccc(C(F)(F)F)n1	895290097	RJEYUOQZBGPEHW-MRVPVSSYSA-N	316.283	1.554	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(C)c(O)c1	899944725	UTVGFDQSOFKSMF-JSGCOSHPSA-N	304.346	1.443	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)N[C@@H](C)Cc2ccccc2)n[nH]1	786087474	WUTXLAQQTRMPGF-JTQLQIEISA-N	317.418	1.458	50	20	DDGD	
Cc1sc(=O)n(CC(=O)NNc2ncncc2Cl)c1C	781834436	ZLBHYOPJHGDHDF-UHFFFAOYSA-N	313.770	1.113	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C(=O)NN=c2cc[nH]cc2)c1C	781021375	SCZUJPKRIWZDJZ-UHFFFAOYSA-N	302.334	1.382	50	20	DDGD	
Cc1ccc([C@H](C)[C@H](O)C(=O)NNC(=S)NC(C)(C)C)cc1	899996476	MWEFUWGXCKKZHR-AAEUAGOBSA-N	323.462	1.753	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C\c1cccc(C(=O)N(C)C)c1	899341931	NASLZSAIFRISLS-ZENNRRHLSA-N	315.373	1.446	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2=CCCCO2)c2ccccc2n1	799006396	BWQGZJJZEWSLBT-UHFFFAOYSA-N	311.341	1.999	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H](C)C[C@@H]2CCOC2)n1	792995112	KRWXAIQHDGVKCY-RYUDHWBXSA-N	306.366	1.149	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCCC[C@@H]1c1cc[nH]n1	796196200	OKTJVEWLSBOMEJ-TZMCWYRMSA-N	321.425	1.519	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)c2c(C)nc3ccccn23)CC1	799528702	GEAXSPGFFRKEFD-UHFFFAOYSA-N	316.361	1.220	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(C)C1CN(C(=O)OC(C)(C)C)C1	793469164	OQXPKYQKRDLKEF-KHPPLWFESA-N	309.366	1.508	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1ccc2c(c1)OCCO2	790175571	HEUDPJIQPBXNMB-UHFFFAOYSA-N	318.377	1.139	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1ccc2c(c1)oc(=O)n2C	792297396	RZWBHROJOSGUSD-UHFFFAOYSA-N	313.317	1.984	50	20	DDGD	
C=C[C@H](NNC(=O)c1ccc(Cl)cc1Cl)C(=O)OC	799976643	ULWYLDMMDRAVBU-JTQLQIEISA-N	303.145	1.955	50	20	DDGD	
Cc1nnc(NC(=O)NNc2ccc3c(=O)[nH]ccc3c2)s1	793990471	QXVOLYUDQDXCSI-UHFFFAOYSA-N	316.346	1.837	50	20	DDGD	
NC(=O)C1CCN(Cc2cccc(NC(=O)CCl)c2)CC1	1319674051	BMRKPIYIYOSQOM-UHFFFAOYSA-N	309.797	1.561	50	20	DDGD	
O=C(NNC(=O)c1cncc(OCC(F)F)c1)c1ccccc1	1319276859	STLIZNUGUVASMC-UHFFFAOYSA-N	321.283	1.800	50	20	DDGD	
Cn1ncc([N+](=O)[O-])c1C(=O)NNc1cnnc2ccccc12	1319871733	QMADYJVYPDRASE-UHFFFAOYSA-N	313.277	1.028	50	20	DDGD	
O=C(NNC(=O)c1ccnc(OC2CCC2)c1)NC1CCCC1	1319655445	HHNDFZRCMJQQTN-UHFFFAOYSA-N	318.377	1.900	50	20	DDGD	
O=C(NNC(=O)[C@@]1(F)CCOC1)c1nc2ccccc2s1	1330767217	IZFNFMWALSPJLI-CYBMUJFWSA-N	309.322	1.186	50	20	DDGD	
CCCN1CCCC[C@@H]1C(=O)NNC(=O)c1cccc(C)n1	1339634964	ULVYJOGRCCJSLL-CQSZACIVSA-N	304.394	1.416	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)nc1Cl	1336381510	IFLQKDSKYYAFSP-SSDOTTSWSA-N	312.757	1.175	50	20	DDGD	
O=C(C[C@@H]1CCS(=O)(=O)C1)NNc1ccc(Cl)cn1	1330967167	ZCHXJYYRAJDHRM-QMMMGPOBSA-N	303.771	1.003	50	20	DDGD	
CNC(=O)Cc1ccccc1NC(=O)NNC(=O)C1CCCC1	1337765495	HOIGSDVKRLUYTD-UHFFFAOYSA-N	318.377	1.318	50	20	DDGD	
CC1=NO[C@@H](CNC(=O)NNC(=O)c2ccccc2Cl)C1	1336693033	UOTRMQHILRFDAD-SECBINFHSA-N	310.741	1.449	50	20	DDGD	
Cc1cccc(C)c1CCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	1261452661	JEKOYRRXRMGGLF-DZGCQCFKSA-N	319.405	1.601	50	20	DDGD	
Cc1cn2c(C=NNC(=O)C3CCOCC3)c(C)nc2s1	1349837965	DWVLLSZKIFAANI-UHFFFAOYSA-N	306.391	1.889	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc(Cl)[nH]1	1518789325	RQNPUAIGGPSUDR-UHFFFAOYSA-N	304.803	1.156	50	20	DDGD	
C=CCn1cc(C(=O)OC[C@@]2(C)C[C@@H]2Br)nn1	1526044835	OATYNDCHNXXSSD-GXSJLCMTSA-N	300.156	1.794	50	20	DDGD	
Nc1cc(Cl)ccc1C(=O)NNc1ccc(C(=O)O)cn1	1601213163	GPAAJRWNEDDOAH-UHFFFAOYSA-N	306.709	1.772	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2cccc(F)c2C(=O)O)C1	1601146853	ZWUWCMVYFARDNY-RKDXNWHRSA-N	323.324	1.259	50	20	DDGD	
CC(=NNC(=O)[C@]1(C)CCCO1)c1ccc(-c2nn[nH]n2)s1	1602906970	QPMAWHSCRNRLLI-ZDUSSCGKSA-N	320.378	1.338	50	20	DDGD	
O=C(COCc1cccnc1)NNc1ccc(C(=O)O)c(F)c1	1601339021	BSPHMAXGXJLPCM-UHFFFAOYSA-N	319.292	1.579	50	20	DDGD	
CCc1ncncc1C(=O)NNc1ccc(C(=O)O)cc1F	1605864120	ZWNUTIZXASQTEH-UHFFFAOYSA-N	304.281	1.633	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1ccc(F)c(C(=O)O)c1	1601560915	FZZDYWHYIORWMB-UHFFFAOYSA-N	317.276	1.606	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@H](CC(=O)O)C2CCCC2)cn1	1608110726	UYDGOPUEUUJXHI-CNTYAEFGSA-N	316.361	1.477	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1ccc(C#N)cn1	1607140989	HWKVJIBCLKTPRH-UHFFFAOYSA-N	312.285	1.417	50	20	DDGD	
C[C@H]1[C@@H](CNCCNc2ccc(-c3nn[nH]n3)cn2)[C@@H]1Cl	1603834431	KESWQJXXDMRTAS-MKPLZMMCSA-N	307.789	1.137	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)[C@]23CCC[C@H]2OCC3)cc1	1608781860	UUFDPAWHMXZIEA-CJNGLKHVSA-N	304.346	1.716	50	20	DDGD	
C=C[C@@H](NNC(=O)c1ccc(OCCC)c(OC)c1)C(=O)O	1602818735	FHKMLSHLZRJBKQ-LLVKDONJSA-N	308.334	1.358	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)c(F)c1	1608904490	VPUNJEFNXCRVDU-OUJBWJOFSA-N	324.308	1.019	50	20	DDGD	
Cn1cc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c(C2CC2)n1	1606232189	HDXZGPKVLBUOOP-UHFFFAOYSA-N	324.348	1.235	50	20	DDGD	
C=CCCC[C@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)O	1602863356	NTJAITSSDIHCQR-OTAKNEKHSA-N	302.334	1.253	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)NN=Cc1cnsc1	1549904339	IFICADXTILCKOD-WCQYABFASA-N	319.390	1.495	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=CC[C@@H](C)C(=O)O)n1	1610457771	VBHCTYUSYGPFSE-MRVPVSSYSA-N	310.379	1.398	50	20	DDGD	
Cc1nc(C2CC2)ccc1C(=O)NNC(=O)C1CCNCC1	1579849755	IUPLKAMSWVMGIZ-UHFFFAOYSA-N	302.378	1.028	50	20	DDGD	
NCCCCCC(=O)NNC(=O)Nc1ccc(F)c(F)c1F	1580292654	IKCYDHPKNJWOSV-UHFFFAOYSA-N	318.299	1.776	50	20	DDGD	
O=C(C[C@H]1CCNc2ccccc21)NNC(=O)NCC1CC1	1580511739	YOGGQFCYUACKON-GFCCVEGCSA-N	302.378	1.716	50	20	DDGD	
NCCCCCC(=O)NNC(=O)c1c(Cl)cncc1Cl	1580292620	GRXFEULDPPYXIJ-UHFFFAOYSA-N	319.192	1.669	50	20	DDGD	
CC(C)(C)[C@@H](O)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843361371	CNQZZWZWTAJAQD-VHSXEESVSA-N	320.792	1.131	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)Cn2ccnc2)C1	1842509628	NCJWSWJWLPJZRJ-LBPRGKRZSA-N	324.812	1.104	50	20	DDGD	
COc1ccc(CC(=O)NNc2ccc(C(=O)O)cc2F)nc1	1599548933	RLYUVOBKVMGWIN-UHFFFAOYSA-N	319.292	1.613	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCc1ccoc1C(=O)O	1590701696	OOBRQCVSDYRNNF-UHFFFAOYSA-N	309.771	1.662	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cc(C(=O)O)no2)c(OC)c1	1599485154	YFGRVWZEDJXVMG-UHFFFAOYSA-N	319.273	1.154	50	20	DDGD	
COc1ccc(NNC(=O)Cc2ccc(C(=O)O)cc2)nc1	1599597307	QFFUUJAZXOAVKJ-UHFFFAOYSA-N	301.302	1.474	50	20	DDGD	
CC(=NNC(=O)c1cccc(F)n1)c1cncc(C(=O)O)c1	1776093613	AWEBJZGCXACODD-UHFFFAOYSA-N	302.265	1.468	50	20	DDGD	
C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Cl)C[C@@H]21	1791273697	BHGQSEYFHGSBRY-ZPFDUUQYSA-N	318.776	1.077	50	20	DDGD	
COC(=O)NNC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1	158808322	SJBLUUMPYMSEDC-UHFFFAOYSA-N	318.333	1.446	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@H]1CCO[C@@H](C2CC2)C1	163782931	UTGAXALNMPLZAQ-UONOGXRCSA-N	303.362	1.588	50	20	DDGD	
O=C(NNc1ccccn1)N[C@H]1CCN(c2ncccc2F)C1	151017851	MJTJRGIUTWEGMG-NSHDSACASA-N	316.340	1.521	50	20	DDGD	
CCCC(=O)N1CCC[C@H]1C(=O)NNc1ccc(C#N)cc1	155715324	AWMMLNIQAMSZRI-AWEZNQCLSA-N	300.362	1.792	50	20	DDGD	
COc1ccnc(NNC(=O)c2c(F)ccc(F)c2OC)n1	155274500	YFPKQYOQGKLLJB-UHFFFAOYSA-N	310.260	1.529	50	20	DDGD	
O=C(O)c1sccc1S(=O)(=O)NCC(Cl)Cl	309298635	LLAGTEDHVGDTKE-UHFFFAOYSA-N	304.176	1.528	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)OC(C)(C)C)N(C)C(=O)OC(C)(C)C	496716762	ZXKNWJCVLGUWBZ-VIFPVBQESA-N	317.386	1.798	50	20	DDGD	
C[C@@H](c1ccncc1)N(C)C(=O)NNC(=O)Cc1cccnc1	103518425	VZJDWOSXGKLSCV-LBPRGKRZSA-N	313.361	1.453	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)CC#N)c1C	101515414	SZPPNRGSJDFXHH-GDNBJRDFSA-N	300.362	1.640	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCCOC1	171287787	GIHVDIWIEPZAHI-CYBMUJFWSA-N	306.362	1.202	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)COc2cc(C)cc(C)c2)cn1	114314012	AYFXVERJADPPCW-UHFFFAOYSA-N	316.361	1.360	50	20	DDGD	
O=C(CNC(=O)c1c(F)cccc1Cl)NNc1cnccn1	114878514	ZINMZLBRBUSQBV-UHFFFAOYSA-N	323.715	1.142	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C1[C@H]2CCC[C@@H]12	178076461	PZPWUWIIMVJZBF-OCZCAGDBSA-N	302.374	1.821	50	20	DDGD	
CCOCC(=O)NNC(=O)COc1cc(C)ccc1C(C)C	58164798	OEMYCWWXTCQTRV-UHFFFAOYSA-N	308.378	1.681	50	20	DDGD	
Cc1ccc2[nH]c(C(=O)NNC(=O)N3CCOCC3)cc2c1C	172284111	AXXVTORYDCOUHU-UHFFFAOYSA-N	316.361	1.471	50	20	DDGD	
CC(C)N(C)CC(=O)NNC(=O)Cn1ccc2ccccc21	104633065	AOHQNTQTWUFKIT-UHFFFAOYSA-N	302.378	1.129	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)c2ccccc2OC)c1C	67435742	KFAYJHDLYAYUGR-UHFFFAOYSA-N	316.361	1.603	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2ccccc2O)cc1	69665096	WXCMSNBJRLPLHL-UHFFFAOYSA-N	314.341	1.795	50	20	DDGD	
O=C(NNC(=O)c1ccn(-c2cccc(F)c2)n1)NC1CC1	64427402	LWWZQAWAMDRAGJ-UHFFFAOYSA-N	303.297	1.118	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1[nH]c(C)cc1C	177950810	DZDSITFUJGVHDG-UHFFFAOYSA-N	301.346	1.644	50	20	DDGD	
Cc1nccc(CNC(=O)c2c(C)nn(CCCl)c2C)n1	114244074	ZOCLPTHTXMQYJF-UHFFFAOYSA-N	307.785	1.767	50	20	DDGD	
CC(=O)[C@@H](C)SCC(=O)NNC(=O)Cc1ccccc1C	121733188	AWUSUFWUDLPULG-GFCCVEGCSA-N	308.403	1.396	50	20	DDGD	
O=C(NNC(=O)C(F)(F)C1(O)CCC1)c1cc2ccccc2o1	305743086	OFYIAAICFYYNLS-UHFFFAOYSA-N	324.283	1.744	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCc1ccc(Cl)s1	65205061	QMTTYUMQTSQJJL-UHFFFAOYSA-N	319.814	1.701	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1occc1Br	123392207	ANQOJWZUMOMJAO-UHFFFAOYSA-N	301.075	1.728	50	20	DDGD	
CCOC1CC(CC(=O)NNC(=O)c2ccccc2OC)C1	189860978	HDBODJWJKGYWLJ-UHFFFAOYSA-N	306.362	1.661	50	20	DDGD	
COc1ccc(CCC(=O)NNc2ncccn2)cc1OC	123956508	OJPOBYHFICGXBE-UHFFFAOYSA-N	302.334	1.570	50	20	DDGD	
COc1ccc(N(C)CC(=O)NNC(=O)C2CC2)cc1Cl	121865486	KUHXFGPLOARIBP-UHFFFAOYSA-N	311.769	1.342	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NO[C@H]2CCCCO2)cc(C#N)n1C	128178565	WXSOWVLGTMAUDW-QLBUUCPGSA-N	314.345	1.687	50	20	DDGD	
CC[C@H](C)[C@@H](C)C(=O)NNC(=O)COc1ccc(C#N)cc1	183378118	INELRZCOLBHZKS-NWDGAFQWSA-N	303.362	1.767	50	20	DDGD	
O=C(CCc1cnn(-c2ccccc2)c1)NNc1cccnn1	77033222	JRJACZMALRPBKN-UHFFFAOYSA-N	308.345	1.738	50	20	DDGD	
COc1cccc(NNC(=O)Nc2cn(C)c(=O)cc2C)n1	184055261	XGSQZVKLOMAPDV-UHFFFAOYSA-N	303.322	1.246	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)CCSc1ccccn1)C1CC1	124106327	BUHDHYRHRRUPGC-SNVBAGLBSA-N	324.475	1.858	50	20	DDGD	
CC(C)(C)C(=O)NCCC(=O)NNc1nnc(C2CC2)s1	184453984	CIRNOHAZJPCZLV-UHFFFAOYSA-N	311.411	1.411	50	20	DDGD	
C[C@H](NS(=O)(=O)c1ccc(CCCCl)cc1)C(N)=O	180729229	JHKOMJYXAOSMIT-VIFPVBQESA-N	304.799	1.010	50	20	DDGD	
COC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)c2ccc(C)s2)C1	73074941	UAXGCEKXAIMSFC-MNOVXSKESA-N	324.402	1.797	50	20	DDGD	
CSC1(C(=O)NNC(=O)c2cccc(OC(F)F)c2)CC1	188763477	HECVCXUSNMCZEL-UHFFFAOYSA-N	316.329	1.945	50	20	DDGD	
CCN(CC)CCCNC(=O)NNC(=O)c1ccccc1O	43004442	RMDDOYBUVBMHPI-UHFFFAOYSA-N	308.382	1.068	50	20	DDGD	
C[C@H](C(=O)NNC(=O)NCC(F)(F)F)c1cccc(F)c1	75566821	ZFOIOKZOHBGADI-ZETCQYMHSA-N	307.247	1.822	50	20	DDGD	
CCN1CCC[C@H]1CNC(=S)NN(C)C(=O)OC(C)(C)C	138677401	FSPDNRPOAKXTGV-NSHDSACASA-N	316.471	1.717	50	20	DDGD	
CCn1c(=O)n(CC(=O)NN(C)c2ccccc2)c2ccccc21	139137957	UTUBJMCSOSEHJR-UHFFFAOYSA-N	324.384	1.991	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cnc([C@@H]2CCCO2)s1	89605169	IDVWZPPCCCCVKR-JTQLQIEISA-N	320.374	1.408	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCCc1cccs1	83019594	HDXCLQKTJHUBON-UHFFFAOYSA-N	304.375	1.259	50	20	DDGD	
CCOC[C@H](NC(=O)NNC(=O)Cc1ccncc1)C(C)C	191831312	UZMCFPZIVUZXSQ-ZDUSSCGKSA-N	308.382	1.016	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2[nH]c3c(c2C)C(=O)CCC3)o1	84373706	MNKYNLUNRVEIOA-UHFFFAOYSA-N	315.329	1.818	50	20	DDGD	
C=CC[C@@H](C)NC(=O)NNC(=O)Cc1cn2ccccc2n1	83230090	AOKLZCQKWZHLKG-LLVKDONJSA-N	301.350	1.172	50	20	DDGD	
CCC[C@H]1CN(CC(=O)NNC(=O)c2cccc(C)c2)CCO1	131651292	CGMHZACEFAWFNA-HNNXBMFYSA-N	319.405	1.257	50	20	DDGD	
CCCCN(CC(N)=O)C(=O)/C(C#N)=C\c1ccc(O)cc1	194261377	GCPHDUPTBMWMCG-LCYFTJDESA-N	301.346	1.413	50	20	DDGD	
O=C(CCC(=O)c1cccs1)NNC(=O)Cc1ccncc1	81025653	IEKFUVUNRVLANM-UHFFFAOYSA-N	317.370	1.496	50	20	DDGD	
COc1cc(CN2CCN(C(=O)CCl)CC2)cc(OC)c1	198523683	NTCCETVHSCETHH-UHFFFAOYSA-N	312.797	1.587	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1Br)[C@@H]1CCCN1	237707965	DSEFATUWGBKSDW-VIFPVBQESA-N	320.137	1.922	50	20	DDGD	
Cn1ncnc1NC(=O)NNc1ccc(OC(F)(F)F)cc1	91182822	ZGBDPVNMUYAZTJ-UHFFFAOYSA-N	316.243	1.862	50	20	DDGD	
CCNS(=O)(=O)[C@@H]1CCN(/C(=C/C#N)c2ccc(F)cc2)C1	92842364	LADWCAPIBWFEHZ-LSRDKYIXSA-N	323.393	1.704	50	20	DDGD	
CC(C)(CNS(=O)(=O)CCCCCl)N1CCOCC1	163445302	PHVKCYUJNAOGSE-UHFFFAOYSA-N	312.863	1.036	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CCOC(C)(C)C2)cc(C#N)n1C	255142048	FOTZBNCOWFDNDW-AUWJEWJLSA-N	312.373	1.750	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNC(=O)NCC(F)(F)F)ccn1	268395579	YPJWFAYMUXEDRE-UHFFFAOYSA-N	320.271	1.375	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1cccc(Cl)c1	267145770	LTJAYPSEXJBNEZ-VIFPVBQESA-N	315.757	1.544	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCCCC(=O)NC)c1ccccc1	264785595	QKCDIAQIJGCNGJ-ZDUSSCGKSA-N	320.393	1.037	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)CNc1cccc(OC)c1	269882263	ZMKGSQYFSFLCOO-NSHDSACASA-N	309.366	1.070	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNc2ncnc3nc[nH]c23)no1	266442094	GZTADXMVVANMMT-UHFFFAOYSA-N	301.310	1.395	50	20	DDGD	
COC[C@@H](CNC(=O)NNc1c(F)cccc1Cl)OC	274509538	KNSVQIJBNPOKKE-MRVPVSSYSA-N	305.737	1.767	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CCn3nccc32)cc(C#N)n1C	367647592	BUKLWEPBQMXKAK-NTUHNPAUSA-N	306.329	1.355	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(NC(=O)C(C)C)cc1	272641799	DMRDKFCRLMYFSP-UHFFFAOYSA-N	306.366	1.587	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)[C@H]1CCCCS1(=O)=O	274755384	IOLMFVRJBDYMPJ-LLVKDONJSA-N	300.355	1.545	50	20	DDGD	
C[C@](O)(CC(=O)NNc1nc(-c2ccncc2)no1)C1CC1	270007816	AQKRFUANLFBHLR-AWEZNQCLSA-N	303.322	1.126	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)c2ccccc2)CCO[C@H]1C1CC1	375135478	KPZDDBHUFSZHRF-YOEHRIQHSA-N	317.389	1.836	50	20	DDGD	
O=C(NCC1CCN(C2CC2)CC1)NNc1cccc(F)n1	288658158	LVFHQYCVGQUYIX-UHFFFAOYSA-N	307.373	1.721	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1ccccc1OC(F)F	299579015	JAJAFZMENTYSGZ-UHFFFAOYSA-N	322.333	1.644	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)/C=C/c1cccc(F)c1	808045951	SSFFNLZWTMIEFR-MDZDMXLPSA-N	324.352	1.776	50	20	DDGD	
CC(C)c1nnc(CNC(=O)NNc2ccc(Cl)nc2)[nH]1	298100125	MDVWFZHNTQGVNG-UHFFFAOYSA-N	309.761	1.803	50	20	DDGD	
CCOc1ccc(CNC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	297305330	RMRRCMRQIUMMLV-FZMZJTMJSA-N	321.377	1.483	50	20	DDGD	
CC/C=C(\C)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	291248058	PDDFLPHQRLXKCL-IZZDOVSWSA-N	311.407	1.736	50	20	DDGD	
Cc1cncc(CCC(=O)NNC(=O)NCc2ccco2)c1	292114088	DKMVISPNURWIME-UHFFFAOYSA-N	302.334	1.446	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)c(Cl)c1	802023582	XKFVCQZLRKSPSX-UHFFFAOYSA-N	304.737	1.932	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1	816561492	ZPECFDLAKVYGCE-OAHLLOKOSA-N	319.405	1.095	50	20	DDGD	
CCC(=NNC(=O)CO)c1ccc(OCCCCC(=O)O)cc1	814896218	OQPZCRHINMRLPT-UHFFFAOYSA-N	322.361	1.543	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H](C)[C@H](C)COC)c1	812536508	DZTNPRJWGRVGHL-VXGBXAGGSA-N	319.430	1.904	50	20	DDGD	
CCSc1cccc(F)c1NC(=O)NNC(=O)COC	810331043	WWMXIWSRHIWYIJ-UHFFFAOYSA-N	301.343	1.737	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2c(Cl)nc(Cl)n2C)n[nH]1	814876179	LZBLGUWEABSZAG-UHFFFAOYSA-N	301.137	1.522	50	20	DDGD	
O=C(NNc1ncncc1F)Nc1cnn(C[C@@H]2CCCO2)c1	814649661	YRXKQDVOGZHJKO-JTQLQIEISA-N	321.316	1.140	50	20	DDGD	
Cc1nn(C)c(N)c1C=NNC(=O)c1ccc2ccccc2n1	814682169	HGGNQDCYORKBPE-UHFFFAOYSA-N	308.345	1.623	50	20	DDGD	
CNC(=O)c1ccc(C(=O)NNc2nc3ccccc3n2C)cn1	816579003	XXNSRJJMERFGDI-UHFFFAOYSA-N	324.344	1.085	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H](C)Cc1ccc(OC)c(OC)c1	823873514	CDNFJSRYRUXXLW-LBPRGKRZSA-N	310.394	1.228	50	20	DDGD	
COc1ccc([C@@H]2C[C@H]2C(=O)NNc2nccc(OC)n2)cc1	821481911	UAGJNSHHFNVZBF-QWHCGFSZSA-N	314.345	1.741	50	20	DDGD	
CN(C)c1noc(CNC(=O)/C(C#N)=C/c2ccc(O)cc2)n1	490690452	CZBDDJISTDAWBM-YRNVUSSQSA-N	313.317	1.065	50	20	DDGD	
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NNc1nc(-c2ccncc2)no1	825304373	WFAXYKCNHPUQMG-GHMZBOCLSA-N	317.349	1.778	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNc2nc3ccccn3n2)cc1	492758947	AFHSAIJCISLPEO-JXMROGBWSA-N	309.329	1.894	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C=NNC(=O)c2ccc[nH]2)C1	497273699	CQHOANIZRMSMJN-BDJLRTHQSA-N	318.377	1.987	50	20	DDGD	
C[C@H](CCc1cccn1C)NC(=O)/C(C#N)=C\c1cnn(C)c1	491051796	UEJRETPIIQFNLB-MLJKTZRHSA-N	311.389	1.803	50	20	DDGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)[C@H](O)C1CC1	827466988	LVOYFXYXGLJDBX-SNVBAGLBSA-N	308.725	1.604	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)Cc1cccnc1)c1ccccc1	728957200	MKMYIPURGKPTQL-ZDUSSCGKSA-N	312.373	1.758	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCC1CCC(F)(F)CC1	826720084	CFKNRCQCNJILBN-MWLCHTKSSA-N	319.352	1.567	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC[C@@H](CC(N)=O)C1	491108275	XQXWKWMDALZHAO-JGWKKKPCSA-N	313.357	1.413	50	20	DDGD	
COC(=O)[C@H](CNC(=O)/C(C#N)=C\c1cnn(C)c1)CC1CC1	491129525	GVMFXEPWSPUCLY-XMRSSTEGSA-N	316.361	1.033	50	20	DDGD	
Cc1cccc(F)c1CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	826097988	QDDOXPJCSDNNAA-GHMZBOCLSA-N	309.341	1.390	50	20	DDGD	
CCCN(CCC)C(=O)CCCC(=O)NNC(=O)C(C)(C)C	729521256	ZZYZSCFHDOUHTP-UHFFFAOYSA-N	313.442	1.999	50	20	DDGD	
COC(=O)c1ccc(/C=C(/C#N)C(N)=O)c(Br)c1	491046008	GHMDYHHBBQHNBN-WTKPLQERSA-N	309.119	1.628	50	20	DDGD	
O=C(NNc1ccc(Cl)c(F)c1)c1c[nH]c(-c2nn[nH]n2)c1	826447506	IZIZNSIHWHRETL-UHFFFAOYSA-N	321.703	1.744	50	20	DDGD	
CC(C)OC1CCN(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CC1	827288472	MPLZRYPMKQWABG-YPMHNXCESA-N	313.398	1.042	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	820646321	FJEGUKNQUSCGRZ-VIFPVBQESA-N	320.305	1.046	50	20	DDGD	
Cn1c(CNC(=O)/C(C#N)=C/c2ccc(O)cc2)nnc1C1CC1	490971696	JEOSKFYXZSVYFU-MDWZMJQESA-N	323.356	1.621	50	20	DDGD	
CC1(C)CCN(C(=O)[C@@]2(C)C[C@@H]2Br)CC[S@]1=O	909222369	WJMFXPITTPVVQN-YALKKGATSA-N	322.268	1.920	50	20	DDGD	
CC[C@@H](C)c1ncc(NC(=O)c2cc(B(O)O)ccc2F)cn1	584982300	FFMPZWNKQYOEGI-SECBINFHSA-N	317.129	1.061	50	20	DDGD	
C=CCNC(=S)NNC(=O)/C=C/c1ccc(OC)c(O)c1	492347122	WYAHLGINODIRHJ-FNORWQNLSA-N	307.375	1.095	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C1C[C@H](C)O[C@@H]1C	496185165	ISGJHYIFTUKQCI-TUAOUCFPSA-N	323.393	1.573	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1Cc2ccccc2C[C@H]1C	827286692	BBLGHQVEZZXETA-TYNCELHUSA-N	317.389	1.599	50	20	DDGD	
CC(C)CCOc1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cc1	585076061	WAKMNEQBVFKWPH-CQSZACIVSA-N	305.183	1.800	50	20	DDGD	
C=CC(C)(C)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	495865852	LSTNZFYPRVEGET-UHFFFAOYSA-N	313.398	1.651	50	20	DDGD	
CC[C@@H](CSC)NC(=O)NNc1cccc(-c2nn[nH]n2)c1	825126008	GTVHCVDGZWBDKV-JTQLQIEISA-N	321.410	1.634	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	490813778	REQAWAZDGPENPC-KPMWUXBGSA-N	311.382	1.850	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(F)c(OC)c(F)c1OC	836737587	WGUBSJBHGQDXBV-UHFFFAOYSA-N	303.265	1.545	50	20	DDGD	
CC(C[C@@H](C)NC(=O)OC(C)(C)C)=NNC(=O)c1cnccn1	494657712	BIRBOGIHTVSIGU-SNVBAGLBSA-N	321.381	1.886	50	20	DDGD	
CC[C@H]1OCCC[C@H]1c1nc(-c2ccc(B(O)O)cc2)no1	585055054	PQFYKAWGBGMLDO-CHWSQXEVSA-N	302.139	1.089	50	20	DDGD	
CC(C)CSCCCNC(=O)NNC(=O)[C@H]1CCCCO1	836376548	IGDZIMMIUUYRFG-GFCCVEGCSA-N	317.455	1.665	50	20	DDGD	
O=C(NNc1ccc(F)cc1)N[C@@H]1C[C@@H]2CCCCN2C1=O	838746304	XMEDROMEUJCKET-QWHCGFSZSA-N	306.341	1.605	50	20	DDGD	
CS[C@@H](C)CCC(=O)NNC(=O)CNC(=O)OC(C)(C)C	494640524	KXVYKGVOOCTCNK-VIFPVBQESA-N	319.427	1.190	50	20	DDGD	
O=C(NCB(O)O)C1(c2c(Cl)cccc2Cl)CCC1	585063278	WBWGBRYQGZYURI-UHFFFAOYSA-N	301.966	1.543	50	20	DDGD	
Cc1ccn2cc(C(=O)NNc3nccnc3Cl)nc2c1	734260838	SUEVAHLLCTYRKY-UHFFFAOYSA-N	302.725	1.843	50	20	DDGD	
CC(C)Cc1cccc([C@H](C)C(=O)NNC(=O)c2ncon2)c1	832826332	WVZDAHFNMCPWAM-NSHDSACASA-N	316.361	1.833	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC1CCN(CC#N)CC1	733931620	APANYJUWRKAWAS-UHFFFAOYSA-N	323.828	1.457	50	20	DDGD	
CC(C)(C)Oc1ccccc1CNCc1cccc(B(O)O)c1	585026396	GMHMXSQNZQFIOD-UHFFFAOYSA-N	313.206	1.834	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H]1CCc2cc(OC)ccc2C1	900382562	FTONEQOJILYOTD-AWEZNQCLSA-N	319.405	1.931	50	20	DDGD	
C[C@]1(C(=O)N2CCC3(CC2)OCCCO3)C[C@@H]1Br	908432845	JSRJDGMEPHCKJL-JQWIXIFHSA-N	318.211	1.916	50	20	DDGD	
CN(C(=O)O)c1ccc(NC(=O)NNC(=O)C(C)(C)C)cc1	833685202	HKMNVZSZEZGGOG-UHFFFAOYSA-N	308.338	2.000	50	20	DDGD	
COc1cccc([C@H](OC)C(=O)NNc2cccc(OC)n2)c1	831882314	XZLROLAZLWBCBM-HNNXBMFYSA-N	317.345	1.930	50	20	DDGD	
CC(C)(C)n1ncnc1CNC(=O)[C@]1(C)C[C@H]1Br	908020687	NQNIPDXPXGVPBZ-PRHODGIISA-N	315.215	1.823	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)Nc1ccccn1	732235571	XUBUCVPZSJZUQD-UHFFFAOYSA-N	306.347	1.634	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cccc(Oc2cnccn2)c1	736554851	ZFMHTZYTVQPVFC-UHFFFAOYSA-N	315.333	1.621	50	20	DDGD	
C[C@H]1N(C(=O)c2ccc(B(O)O)cc2)c2ccccc2C1(C)C	585005837	NICHLIAEJUJGDO-GFCCVEGCSA-N	309.174	1.693	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)n[nH]1	839705940	PREJVXFMXNVISU-QWHCGFSZSA-N	309.329	1.155	50	20	DDGD	
CCc1ccc(NC(=S)NNC(=O)c2cnn(C)c2)cc1	735416566	CDFODHSLPREIER-UHFFFAOYSA-N	303.391	1.614	50	20	DDGD	
CO[C@@H](C=NNC(=O)COc1ccccc1F)C1CCOCC1	834922094	LTWDGWNFZNUSSG-HNNXBMFYSA-N	324.352	1.748	50	20	DDGD	
CC(C)(O)[C@@H](Oc1ccccc1)C(=O)NNc1ccccn1	831755861	UCRBKQSVWBIVGI-AWEZNQCLSA-N	301.346	1.743	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CCO[C@H](C)C2)cc1F	837057491	FSYHGJOISDYVBW-NXEZZACHSA-N	310.325	1.871	50	20	DDGD	
CCn1cc([C@H](C)NC(=O)NNc2ncc(F)cc2F)cn1	838706558	YYBWHUALAQQIGR-QMMMGPOBSA-N	310.308	1.964	50	20	DDGD	
OB(O)c1ccc(-c2noc([C@@H]3CCC[C@@H]3C(F)F)n2)cc1	585053096	BBFXKGUUAHWRNH-WDEREUQCSA-N	308.093	1.565	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1ccc(S(C)(=O)=O)cc1	918154330	KGTAGZXQSUNGLD-FMIVXFBMSA-N	309.343	1.187	50	20	DDGD	
CO[C@@](C)(C(=O)NNc1cccc(C#N)c1)C(=O)OC(C)(C)C	830767185	WUJPBGKGJSNNEC-INIZCTEOSA-N	319.361	1.748	50	20	DDGD	
CC(=NNC(=O)[C@H](C)Oc1cccc(Cl)c1)c1cn(C)nn1	834977020	IQYSJQFUBNEULX-JTQLQIEISA-N	321.768	1.776	50	20	DDGD	
O=C(NNc1cc(O)nc2ncccc12)[C@@H]1C[C@@]12CCOC2	913991392	QZRMKDJPVDKHSI-ZUZCIYMTSA-N	300.318	1.205	50	20	DDGD	
C[C@@H](CCc1ccccc1F)C(=O)NNC(=O)c1ncon1	832825616	BMJFHEGSGTVOHK-VIFPVBQESA-N	306.297	1.239	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](CC(=O)O)C1CC1	833016587	YSCKJLNXORREMM-NSHDSACASA-N	313.785	1.722	50	20	DDGD	
CCC(=O)NN=C(C)c1ccc(S(=O)(=O)CC(F)F)cc1	741760452	MRAUPSYUXDMNRV-UHFFFAOYSA-N	318.345	1.976	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNC(=O)Cc1ccc(Cl)cc1	836605206	LPPWBTVHHBXSCB-OLZOCXBDSA-N	323.780	1.556	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)[C@H]1CC12CCOCC2	748848484	LHTUCZQKXRJOBR-LLVKDONJSA-N	315.333	1.391	50	20	DDGD	
COc1cccc([C@@H](C)C(=O)NNc2ccnc(N(C)C)n2)c1	740102646	DVJAZEGUUMUJJW-LLVKDONJSA-N	315.377	1.798	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(F)c(Cl)c1F	843659053	HFHGCOQNWRBAMV-NKWVEPMBSA-N	318.707	1.804	50	20	DDGD	
C[C@H]1CCCCN1[C@@H](C)CNC(=O)NNC(=O)CC(F)(F)F	918064194	BTKFOVZYQWSDGV-UWVGGRQHSA-N	324.347	1.532	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)Nc2cc(C)c(C)nn2)n1	841636348	MGDGMYSAICGLNS-UHFFFAOYSA-N	307.745	1.994	50	20	DDGD	
C[C@H](C=NNC(=O)[C@H]1CCS(=O)(=O)C1)CCc1ccccc1	749158510	PBUZULXDFHNLTJ-ZFWWWQNUSA-N	322.430	1.792	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)c2cc3c(s2)CCC3)o1	746096480	HDDCFEDUZFEEDW-UHFFFAOYSA-N	305.359	1.916	50	20	DDGD	
CC(CS(=O)(=O)c1ccccc1)=NNC(=O)[C@@H]1CCO[C@H]1C	842551250	CKEWTYWVHIRDMG-GXTWGEPZSA-N	324.402	1.377	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNc1ncc(Br)cn1	848322119	QRIOUFXMGWZQRR-HTRCEHHLSA-N	301.144	1.107	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1cc(F)c(F)c(F)c1	748253863	TYOWIOFRSFZSJT-SECBINFHSA-N	318.295	1.996	50	20	DDGD	
Cn1nc(C2CC2)nc1CC(=O)NNc1ccc(Cl)nc1	844133764	CHZISMYFAWWQFW-UHFFFAOYSA-N	306.757	1.427	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1ccc(C(=O)O)c(F)c1	842560049	DTGHUKKUPDTUIE-ONGXEEELSA-N	308.309	1.789	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(Oc2ccccc2)cn1	910150372	QPFZYCHBZVMBNO-GFCCVEGCSA-N	301.346	1.831	50	20	DDGD	
Cc1c(NNC(=O)NCC2(C)CCNCC2)cccc1[N+](=O)[O-]	841968736	ATZSXYGBCQSWGS-UHFFFAOYSA-N	321.381	1.919	50	20	DDGD	
CN(C)CCCNC(=O)NNC(=O)c1c[nH]c2ccccc12	915882653	ZSWWXDLMKSMEJI-UHFFFAOYSA-N	303.366	1.064	50	20	DDGD	
O=C(CCn1cc(Cl)cn1)NNc1cccc([N+](=O)[O-])c1	748005697	HWUUSSRPZNRMBQ-UHFFFAOYSA-N	309.713	1.978	50	20	DDGD	
O=C(Cc1coc2cc(F)ccc12)NNC(=O)c1cccnc1	748283262	LZEJOVPQQCRYMP-UHFFFAOYSA-N	313.288	1.971	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@H](C)CN2CCOCC2)cc1	916362794	ORADLTISADFJAQ-CYBMUJFWSA-N	305.378	1.114	50	20	DDGD	
COCC1(CC(=O)NNc2cccc(S(C)(=O)=O)c2)CC1	843848515	ZKYNGYVYKPSRNQ-UHFFFAOYSA-N	312.391	1.350	50	20	DDGD	
C[C@@H](COCC(=O)NNC(=O)c1cccn1C)c1ccccc1	844302506	IYVAXUJZBVROAE-ZDUSSCGKSA-N	315.373	1.606	50	20	DDGD	
COCCOCC(C)=NNC(=O)c1cc(-c2ccccc2)[nH]n1	741160510	REVLYFDIGPEMPB-UHFFFAOYSA-N	316.361	1.845	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=C1CC[C@@H]2CCCC[C@@H]2C1	743448044	WAINXZOFQVEUQI-WDEREUQCSA-N	318.377	1.893	50	20	DDGD	
COc1ccc(NC(=O)NN=C[C@H](OC)[C@H]2CCOC2)cc1	841641135	TZPHNCXMOHJVLT-FZMZJTMJSA-N	307.350	1.854	50	20	DDGD	
C[C@@]1(CCC(=O)NNc2ccc(F)c([N+](=O)[O-])c2)CCC(=O)N1	842247778	PDOWLUVRVPMDOF-AWEZNQCLSA-N	324.312	1.626	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)N[C@@H]1CCCNC1	841944385	GRDGQAMUOHTTHY-LLVKDONJSA-N	302.334	1.129	50	20	DDGD	
COC(=O)c1cc(NNC(=O)N[C@H]2CCN[C@H](C)C2)ccc1F	841986950	LPWTUJKQNZMRQO-ZJUUUORDSA-N	324.356	1.379	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2	845084945	PHKYFFNFYYJXFB-TYNCELHUSA-N	318.348	1.954	50	20	DDGD	
COCC[C@H](C)NC(=O)NNc1ncc(Br)cn1	847305167	HELHUJIPFXAOIC-ZETCQYMHSA-N	318.175	1.290	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@@H]2[C@H]3CCCO[C@H]32)c1	843869973	JQXXPRYCDVAWIE-MGPQQGTHSA-N	318.377	1.648	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCC2CCNCC2)cc1F	841924148	VBDJFSAUXSSJCU-UHFFFAOYSA-N	324.356	1.238	50	20	DDGD	
O=C(O)COc1ccccc1C=NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	844613717	OITSFKRGFJTMRD-YRGRVCCFSA-N	318.329	1.168	50	20	DDGD	
C[C@@H](CCCCN)NC(=O)NNC(=O)CCc1ccccc1	841994816	KNZDMFBZXPJQRD-ZDUSSCGKSA-N	306.410	1.467	50	20	DDGD	
CN(C)Cc1cccc(C(=O)NNC(=O)CC(F)(F)F)c1	741278541	LCNUCIKJZDDHEG-UHFFFAOYSA-N	303.284	1.462	50	20	DDGD	
CNCCNC(=O)NNc1ccc(F)cc1Br	841935772	HQVLJJWTOWRANT-UHFFFAOYSA-N	305.151	1.434	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1cccc(C2CC2)c1	840612222	DMCBLWHXRZWYPK-LLVKDONJSA-N	318.373	1.596	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cccc(NC(C)=O)c1	929376410	PWGKRAVTGGSWOS-UHFFFAOYSA-N	302.334	1.601	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)c1cccn1C)C(=O)OC(C)(C)C	843520512	RXISWXTYJKWMQG-GFCCVEGCSA-N	323.393	1.400	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCc2cc(C)nn2C)c1	858433726	IDIQRHHNZXEGGE-UHFFFAOYSA-N	307.379	1.243	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)[C@H]1COc2ccccc2O1)C1CC1	852598561	XDUAYOLTFLHIOD-BXUZGUMPSA-N	319.361	1.345	50	20	DDGD	
O=C(NNC(=O)C1CCN(C2CC2)CC1)c1cccc(Cl)n1	857323702	WBDIALFNCAFEIC-UHFFFAOYSA-N	322.796	1.370	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2cn(C)nc2C)cc1C	755508955	VDSBKPPBLCFNPE-UHFFFAOYSA-N	300.362	1.874	50	20	DDGD	
Cc1ccc2[nH]cc(C(=O)NNC(=O)c3ccccn3)c(=O)c2c1	753764195	SZCOCKCLTZWAAG-UHFFFAOYSA-N	322.324	1.306	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@]1(C)C[C@H]1Br	856831204	CVGBRVQOWSZOLF-HQJQHLMTSA-N	306.204	1.536	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@H]2COC(=O)C2)c1C	855625187	AIBYEJOGQWBKFG-SNVBAGLBSA-N	306.318	1.178	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2nccnc2C)c1	854190814	KPJUYEKNGJKADM-UHFFFAOYSA-N	314.345	1.242	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCC(c2ccncc2)CC1	759943193	ZCJRGTAOZIUEON-GFCCVEGCSA-N	304.394	1.207	50	20	DDGD	
C=Cn1cc(C=NNC(=O)CCCNC(=O)C(C)(C)C)cn1	853408645	XGOJNUKPFNWIKL-UHFFFAOYSA-N	305.382	1.376	50	20	DDGD	
CCO[C@H]1C[C@@H](NCC(=O)NNC(=O)C2CC2)C1(CC)CC	759438817	WQQPKRYYBYWOQH-OLZOCXBDSA-N	311.426	1.117	50	20	DDGD	
CN(CCC(=O)NNC(=O)c1cccc(F)n1)C1CCCCC1	856422720	CDEQIRNMZWFFTP-UHFFFAOYSA-N	322.384	1.636	50	20	DDGD	
CC(C)C1(C(=O)NNC(=O)c2cccc(N(C)C)c2)COC1	929391732	WTYJIBATVCVWBQ-UHFFFAOYSA-N	305.378	1.186	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NNC(=O)c1cc(C)cs1	858418515	MVGPPOVPKIKYKE-WCQYABFASA-N	323.418	1.982	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)C1(C(C)C)COC1	929450084	NDXFMMPIKZPKHU-UHFFFAOYSA-N	316.361	1.076	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H]2CCc3c[nH]nc3C2)c1	858298649	NGFZOLYRUWFRTQ-JTQLQIEISA-N	319.390	1.281	50	20	DDGD	
Cn1cc(C(=O)NNc2ncc(F)cc2F)c(C(F)(F)F)n1	857531827	CSHDKGRXHWFUCW-UHFFFAOYSA-N	321.209	1.869	50	20	DDGD	
COCCC1(C(=O)NNC(=O)OCC(F)(F)F)CCCC1	856021245	ATLQWCZDULBLTA-UHFFFAOYSA-N	312.288	1.903	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cc(C)nnc1C	753484367	JFSMGMAKNNHUMH-UHFFFAOYSA-N	314.345	1.106	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cccn2cc(C(F)(F)F)nc12	854180207	JWHRIEZGOOLCND-UHFFFAOYSA-N	312.251	1.524	50	20	DDGD	
CC[C@H](C(=O)NNc1ccc([N+](=O)[O-])cc1F)N1CCCC1=O	855622797	LUWOEVQGSNSMRO-GFCCVEGCSA-N	324.312	1.578	50	20	DDGD	
CCNC(=O)CN(CC)C(=O)NC[C@]1(C)C[C@@H]1Br	856901157	SYVSYSHZOOCUIX-CABZTGNLSA-N	320.231	1.328	50	20	DDGD	
N#CSCCCNC(=O)C[C@@H](NC(N)=O)c1ccccc1	854362901	GSFYNXQCTXMYQI-GFCCVEGCSA-N	306.391	1.507	50	20	DDGD	
CCOC(=O)NN=C1CCN(c2ccc([N+](=O)[O-])nc2)CC1	853257570	GMDLLVBQJMCYGU-UHFFFAOYSA-N	307.310	1.692	50	20	DDGD	
COCC(C)(C)C=NNC(=O)c1ccc(-n2cnnn2)cc1	754914601	VWIPXMSIQWRURC-UHFFFAOYSA-N	302.338	1.051	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)NN=c1cc[nH]cc1Cl	757422391	SJLIXHIVAFFSRB-GFCCVEGCSA-N	324.812	1.637	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(F)cc1	853387086	JHRDWQNIWKETQE-CABCVRRESA-N	305.353	1.529	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)c1cc[nH]c1C	768629969	OQFTYBFETJEACA-UHFFFAOYSA-N	323.374	1.492	50	20	DDGD	
CN(CCNS(=O)(=O)CC(C)(C)CCl)CC(F)(F)F	866775534	HKDNRCBBUNPVDD-UHFFFAOYSA-N	324.796	1.665	50	20	DDGD	
COCCOCc1ccc(NC(=O)NN=c2cc[nH]cc2)cc1	861568062	OWGMCXLGEZFTER-UHFFFAOYSA-N	316.361	1.815	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2cn(C)nc2C2CC2)c1	862479091	BOYKLMSBLCGABR-UHFFFAOYSA-N	304.375	1.742	50	20	DDGD	
CCOc1ccc(NNC(=O)/C=C\CN2CCOCC2)cc1	868567420	TVAGYSZDAMZSTE-ARJAWSKDSA-N	305.378	1.417	50	20	DDGD	
C[C@H](CCc1cccc(F)c1)C(=O)NNC(=O)c1cn[nH]c1	862472986	ZEFZOKGRTNMZGG-SNVBAGLBSA-N	304.325	1.579	50	20	DDGD	
CCc1ccc(NC(=S)NNC(=O)c2cc(C)[nH]n2)cc1	764496816	CARYPSREYOYNNA-UHFFFAOYSA-N	303.391	1.912	50	20	DDGD	
Cc1cc(=NNC(=O)C[C@H](C)NC(=O)C2CCCCC2)cc[nH]1	862510969	BFENMXTYWKOCJU-ZDUSSCGKSA-N	318.421	1.730	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CCCc2ccccc2)ncn1	931783084	SHNVRCGMHMIIIM-UHFFFAOYSA-N	314.345	1.269	50	20	DDGD	
O=C(NNC(=O)C1CC1)C(=O)Nc1ccc(-c2ccccc2)cc1	763561472	IBPFPNWHVUWQMR-UHFFFAOYSA-N	323.352	1.850	50	20	DDGD	
Cc1ccc([C@H](C)[C@@H](O)C(=O)NNC(=O)C2CCCC2)cc1	764822490	QVRMMXOGXLPQME-SWLSCSKDSA-N	304.390	1.797	50	20	DDGD	
Cc1cccc(NNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)n1	862523718	LZKBVBDSWWPUDC-UHFFFAOYSA-N	304.310	1.373	50	20	DDGD	
CC(=NNC(=O)c1cc(C)cs1)C1CCS(=O)(=O)CC1	863155637	SUQYSQQIANKVPD-UHFFFAOYSA-N	314.432	1.987	50	20	DDGD	
O=C(/C=C\CCc1ccccc1)NNC(=O)[C@@H]1CCCCO1	868619579	PHYSDIZGBSJOQN-LGVHXXEASA-N	302.374	1.892	50	20	DDGD	
C[C@@H]1CCCN(CCNS(=O)(=O)CC(C)(C)CCl)C1	866498944	GVYXRUPZYTUKFA-GFCCVEGCSA-N	310.891	1.903	50	20	DDGD	
CCc1cccc(NC(=S)NNC(=O)COCCOC)c1	865244689	SVJXVGVHKFNAEV-UHFFFAOYSA-N	311.407	1.230	50	20	DDGD	
CC(=O)Nc1ccccc1CC(=O)NNC(=S)NC(C)(C)C	768189072	ZQXVLJQJNCPWEN-UHFFFAOYSA-N	322.434	1.481	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)Cn1ccc2ccccc21)C(C)C	769930726	PHZNHZXWLJUDAL-HNNXBMFYSA-N	303.362	1.460	50	20	DDGD	
O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1cccc(F)n1	763856792	TZGWETUWRSCWNC-UHFFFAOYSA-N	304.237	1.204	50	20	DDGD	
COCC(=O)NCCC(=O)NNc1ccc(F)cc1Cl	1119905397	XAMAZYHZZCXHMR-UHFFFAOYSA-N	303.721	1.075	50	20	DDGD	
CN(C)c1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2)ccn1	768248630	UCMHEPCNSAQKJH-UHFFFAOYSA-N	301.306	1.813	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cccc(C#N)c2C)nc1	1116937545	VCJWJKPSWLTKJD-UHFFFAOYSA-N	310.313	1.805	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)C(OC)OC	873852872	BXKXJNOXHKTIKV-UHFFFAOYSA-N	311.407	1.494	50	20	DDGD	
Cc1cccc(NNC(=O)NC[C@@H]2COC3(CCCC3)O2)n1	875453912	AOQIPBKJSPSSAO-GFCCVEGCSA-N	306.366	1.702	50	20	DDGD	
COCCCN(C)C(=O)NNC(=O)c1nc2ccccc2s1	873297705	FMOJKSDCTDYTER-UHFFFAOYSA-N	322.390	1.619	50	20	DDGD	
COC(=O)[C@@]1(C)CN(CCI)C[C@@H]1C	879134372	ZNGZOWBZZXBSPC-WPRPVWTQSA-N	311.163	1.552	50	20	DDGD	
CCn1cc(C(=O)NNc2cccc(S(C)(=O)=O)c2)cn1	776530792	ZHCJIDQJMOMELO-UHFFFAOYSA-N	308.363	1.063	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(Cc2ccccc2)CC1	772186288	VOWOXWFAEZOSFY-GFCCVEGCSA-N	318.373	1.498	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C(C)(C)c1ccccc1	771940798	QFAOWEYHJZEKKL-NSHDSACASA-N	306.362	1.453	50	20	DDGD	
Cn1nccc1NC(=O)C(=O)NNc1nccc2sccc12	1116702814	DFHXZASYUFMEPU-UHFFFAOYSA-N	316.346	1.112	50	20	DDGD	
COCCN(C)NC(=O)Nc1cn(-c2ccccc2)nc1C	879140977	XBBGSLBYCVJOMG-UHFFFAOYSA-N	303.366	1.795	50	20	DDGD	
CCC(CC)n1ccc(C(=O)NNC(=O)c2c[nH]nc2C)n1	770956472	WTFWNHNTEHKIIF-UHFFFAOYSA-N	304.354	1.351	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cc3c(s2)CCNC3)c1Cl	1118505249	BTCTXDVGCOCJON-UHFFFAOYSA-N	324.797	1.176	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(-c2cc(F)cc(F)c2)nn1C	772667795	GIQBGKCBLDHNNJ-UHFFFAOYSA-N	323.303	1.928	50	20	DDGD	
COCCCOCC(=O)NNC(=S)Nc1cccc(C)c1	775782436	GLDOWFOVHKGGFI-UHFFFAOYSA-N	311.407	1.366	50	20	DDGD	
C[C@@H](O)c1ncc(C=NNC(=O)CNc2ccccc2F)s1	773005247	LBWMYDJIBKRKKH-SECBINFHSA-N	322.365	1.898	50	20	DDGD	
COC(=O)c1sc2ncc(C(C)=NNC(=O)CO)cc2c1C	776780082	DFPPXXGVOWZUIL-UHFFFAOYSA-N	321.358	1.224	50	20	DDGD	
COc1cc(C(=O)NNc2oc(C(C)C)nc2C#N)nn1C	772580511	NYVKPWPEDUIMHY-UHFFFAOYSA-N	304.310	1.169	50	20	DDGD	
C[C@@H](NC(=O)NNc1c(F)cccc1F)[C@@H]1CN(C)CCO1	770436039	TWIFVDWSRCSHME-SKDRFNHKSA-N	314.336	1.310	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N(C)CCCF	884016546	YPWKMLQWMQPYFL-UHFFFAOYSA-N	307.329	1.289	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccnc(-n2cncn2)c1	772823455	NJLQDBRZGFUYOS-UHFFFAOYSA-N	324.348	1.333	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccccc2)CCC1)C1CCOCC1	883065434	LBLNBKSCEFPPTI-UHFFFAOYSA-N	316.401	1.973	50	20	DDGD	
O=C(NNc1ccc(F)cc1Cl)[C@H]1CCc2nnnn2CC1	885139057	SSZHPRRAKVRVIH-QMMMGPOBSA-N	324.747	1.561	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(C)c(F)cc1F	772170239	PSNSURIIWGHTMQ-QMMMGPOBSA-N	314.288	1.376	50	20	DDGD	
CCN1CCO[C@H](C(=O)NNc2ccc(Cl)cc2F)C1	885107728	ODGYBFVVCMDKHK-LBPRGKRZSA-N	301.749	1.643	50	20	DDGD	
C[C@@H](NCC(=O)NNC(=O)c1ccc(C#N)cc1)c1ccccc1	774769164	FNUWLFLZJXNXOZ-CYBMUJFWSA-N	322.368	1.670	50	20	DDGD	
CN(C)C1(CNC(=O)NNc2ccc(C#N)cn2)CCCCC1	887604675	FBYADGWYEHURQV-UHFFFAOYSA-N	316.409	1.844	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2ccc(C)c(O)c2)cnn1C	882046229	BBUZAQXGQDAOLZ-UHFFFAOYSA-N	302.334	1.071	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1C[C@H](c2ccccc2)OC1=O	887148928	BYVNQJDKXSAGAC-UONOGXRCSA-N	314.341	1.242	50	20	DDGD	
CS[C@@H]1CCC[C@H](NC(=O)NNC(=O)c2cccnn2)C1	883425244	PNJQLDAPRWAVOF-VHSXEESVSA-N	309.395	1.095	50	20	DDGD	
N#CCc1ccccc1CC(=O)NNc1ncncc1Cl	781824490	SJKJWAXVDTWNGF-UHFFFAOYSA-N	301.737	1.882	50	20	DDGD	
CC(C)CC(=O)N1CCCC[C@H]1C(=O)NNc1ncc(F)cn1	1123774779	MVGXLEAVKWYJEL-LBPRGKRZSA-N	323.372	1.486	50	20	DDGD	
COc1cccc(NNC(=O)[C@H](C)Oc2ccc(C#N)cc2)n1	780771839	CSYNTNZPSVKRRC-NSHDSACASA-N	312.329	1.872	50	20	DDGD	
CC(C)(NCC(=O)NNC(=O)c1ccccc1)C1CCOCC1	786169959	AXQSEISXJRGNBS-UHFFFAOYSA-N	319.405	1.242	50	20	DDGD	
COc1ccc(C=NNC(=O)COc2ccccc2C#N)cn1	780198087	MJYHULVMFWKVLI-UHFFFAOYSA-N	310.313	1.491	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(CCCO)Cc1ccc(OC)cc1	890644515	PDZBRSKKFIBPHF-FYWRMAATSA-N	318.373	1.850	50	20	DDGD	
C[C@H]1CN(C[C@@H](C)CBr)CCN1CC(C)(C)O	782005073	WYXMECJFRUOYQR-RYUDHWBXSA-N	307.276	1.794	50	20	DDGD	
CC[C@H]1C[C@@H](CC(=O)NNC(=S)NC(C)(C)C)CCO1	781674316	JZWOXEIVIDTVFK-QWRGUYRKSA-N	301.456	1.876	50	20	DDGD	
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1coc(C)n1	789020021	CENBQYULJKLSPP-UHFFFAOYSA-N	304.262	1.751	50	20	DDGD	
COc1cccc(NNC(=O)[C@H](O)CCc2ccccc2)n1	781023791	HZDFMOUGOMGXOU-CYBMUJFWSA-N	301.346	1.527	50	20	DDGD	
CNc1nc(C(=O)NNc2ccccc2C(=O)OC)cs1	780732188	MHQOKPLXOJWZIS-UHFFFAOYSA-N	306.347	1.728	50	20	DDGD	
Cc1nc(C)c(C(=O)NNc2ccc(-n3ccnc3)nn2)s1	788177814	JUDBGUNVYIITMC-UHFFFAOYSA-N	315.362	1.493	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cn(C)c2ccc(F)cc12	794859579	XCYCRBFTNZCONI-UHFFFAOYSA-N	306.297	1.124	50	20	DDGD	
COCCC(=NNC(=O)c1ccc(O)c(O)c1)C1CCOCC1	794557365	ZCTAVKZMPFEXLB-UHFFFAOYSA-N	322.361	1.647	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)CNc1ccc(OC)cc1	794907105	OUZKXNMPDCTXBT-ABAIWWIYSA-N	323.393	1.316	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2ccc(C(F)(F)F)cc2)CC1	790174759	VLUKCQPQQGOGIR-UHFFFAOYSA-N	314.311	1.996	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2c(O)ccc(Cl)c2F)CC1	790175937	JPXQMCDOODXGTH-UHFFFAOYSA-N	314.748	1.476	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCc2cccc(O)c2)n1	792968068	QIZRCKGXIHTDHL-UHFFFAOYSA-N	314.345	1.282	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccccc2C)cc(O)n1	798312584	HJCIKIVSWRIWIR-UHFFFAOYSA-N	300.318	1.871	50	20	DDGD	
COc1cccc(NNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)n1	792302501	HXBSWZMWNSFZGL-AWEZNQCLSA-N	321.340	1.787	50	20	DDGD	
CCc1nn(C)cc1NC(=O)NNC(=O)c1cccc(C)n1	797640586	VNLLIUSBZZKFND-UHFFFAOYSA-N	302.338	1.152	50	20	DDGD	
O=C(Cn1ccc2ccccc2c1=O)NNC(=O)c1ccccc1	790471828	BYRREBOHZAXEOF-UHFFFAOYSA-N	321.336	1.463	50	20	DDGD	
CSCC[C@@H](C)N(C)CC(=O)NNC(=O)c1cccs1	777617454	LICHOZUXIJNFBK-SNVBAGLBSA-N	315.464	1.583	50	20	DDGD	
O=C(CCl)NC[C@@H](c1cccc(F)c1)N1CCOCC1	1319923487	LTKVCROXXCDLMC-ZDUSSCGKSA-N	300.761	1.554	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@H](C)c1c(F)cccc1Cl	1319160195	PAEJKGLNRPHHLE-ZCFIWIBFSA-N	317.704	1.044	50	20	DDGD	
CSC[C@H](C)C(=O)NNC(=O)c1cncn1-c1ccccc1	1318413914	PLNFTMIAVXSFLJ-NSHDSACASA-N	318.402	1.632	50	20	DDGD	
CCOCc1cccc(NC(=O)C(=O)NNc2ncccn2)c1	1320387227	RVVSSCPQLMXFDK-UHFFFAOYSA-N	315.333	1.095	50	20	DDGD	
COCc1nocc1C(=O)NNC(=O)NCCc1cccs1	1326058539	PUKDCKYFTOTZPI-UHFFFAOYSA-N	324.362	1.069	50	20	DDGD	
Cn1ccc(NNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)n1	1325747729	XVVRSGZVPZRKBV-UHFFFAOYSA-N	321.312	1.888	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)N1CCc2ccc(C#N)cc21	1321874165	UPXPMBKFVOBNGB-UHFFFAOYSA-N	321.340	1.294	50	20	DDGD	
O=C(NNc1cccnn1)C(=O)Nc1ccc2ncsc2c1	1326089538	HJRBHYBRFHGJJR-UHFFFAOYSA-N	314.330	1.168	50	20	DDGD	
CC1=NO[C@@](C)(C(=O)NNc2ccc(C(F)(F)F)nn2)C1	1335861941	NQZNOCCEKZTUFY-SNVBAGLBSA-N	303.244	1.493	50	20	DDGD	
CO[C@H]1CCC[C@@H]1C(=O)NNc1nc(-c2ccccc2)no1	1337126062	HXODGADHWCPTDP-RYUDHWBXSA-N	302.334	1.995	50	20	DDGD	
CCc1cc(C(=O)NNC(=S)Nc2cccc(C)c2)nn1C	1332408071	KQEIBUADBVYBDV-UHFFFAOYSA-N	317.418	1.922	50	20	DDGD	
Cc1conc1NC(=O)NNC(=O)COc1ccccc1C#N	1254737496	VQEDEFNUEFNMMR-UHFFFAOYSA-N	315.289	1.086	50	20	DDGD	
O=C(COCc1ccncc1)NNCC(F)(F)C(F)(F)F	1261842551	ATJKVEKLWZFCAX-UHFFFAOYSA-N	313.226	1.417	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1ccc(-n2cncn2)cc1	1341184351	XGQCSKBOYXIPEW-UHFFFAOYSA-N	314.349	1.610	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)c1nccn2ccnc12	1602229908	JVZRTLWSWVKOHQ-UHFFFAOYSA-N	315.264	1.324	50	20	DDGD	
Cc1ccc(C(=O)NNC(=S)N[C@H](C)C2CC2)cc1C(=O)O	1607731739	FCQZIXSCNXJMHZ-SECBINFHSA-N	321.402	1.601	50	20	DDGD	
Cc1cc(O)ccc1CC(=O)NNc1ccc(C(=O)O)cn1	1607699058	KJJWCIJRQLKENQ-UHFFFAOYSA-N	301.302	1.480	50	20	DDGD	
Cc1nn(C)c(C)c1CC(=O)NNc1ccc(C(=O)O)c(F)c1	1600769507	CBRQWUIGRDARMJ-UHFFFAOYSA-N	320.324	1.560	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H](C(=O)NNc2cccc3cnccc23)O1	1602177037	BHZLXTCZGFFXHZ-OLZOCXBDSA-N	301.302	1.310	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@@H]1CN1C[C@H](c2cnn(C)c2)C[C@@H](C(=O)O)C1	1603354216	GNEZQTCCBYLWAV-LZFBMIIGSA-N	311.813	1.784	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(C(=O)O)n2)c(C)o1	1607580222	UAKBFOQFWWRAEK-UHFFFAOYSA-N	303.274	1.064	50	20	DDGD	
O=C(O)c1cnc(C(=O)NNc2nccc3sccc23)cn1	1602509305	XWWFBJAMFCIOIB-UHFFFAOYSA-N	315.314	1.541	50	20	DDGD	
Cc1c(NNC(=O)COc2cccnc2)cccc1C(=O)O	1600052523	MMVTYBYPWWDRGW-UHFFFAOYSA-N	301.302	1.610	50	20	DDGD	
O=C(O)[C@H]1CCC[C@@H](C(=O)NNCC(F)(F)C(F)(F)F)C1	1601803787	RDBINTOSIDZVIT-RQJHMYQMSA-N	318.242	1.696	50	20	DDGD	
O=C(NN=CCCc1ccc(-c2nn[nH]n2)cc1)c1ccccn1	1609557257	CXDBFYBEVBJPHB-UHFFFAOYSA-N	321.344	1.610	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)N[C@@H]1CC=C(C(=O)O)C1	1601561090	OIMDIPCPBVPRES-SECBINFHSA-N	306.278	1.394	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H](C(=O)NNc2cccc(F)c2C(=O)O)C1	1606510178	ABYYNHXOOCDVHJ-DTWKUNHWSA-N	324.308	1.556	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cc1cccc(C(=O)O)c1)C1CC1	1604320292	XENBKCHLJNGJCB-VIFPVBQESA-N	321.402	1.221	50	20	DDGD	
O=C(Cc1c[nH]c2cnccc12)NNc1ncccc1C(=O)O	1605709099	NPZOXPRMWSLIHL-UHFFFAOYSA-N	311.301	1.342	50	20	DDGD	
O=C(C[C@H]1CCCC(=O)N1)NNc1ccc(F)c(C(=O)O)c1	1610650372	DSNGGZPSOMOWPD-MRVPVSSYSA-N	309.297	1.026	50	20	DDGD	
O=C(NN=C[C@@H]1CCC(F)(F)C1)[C@@H]1CN2CCC[C@H]2CO1	1549904615	KPWPOMWTQGQAQC-WOPDTQHZSA-N	301.337	1.387	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cc3c([nH]2)CCCC3)nc1	1610835714	GNHZASQBHBELET-UHFFFAOYSA-N	300.318	1.744	50	20	DDGD	
CC[C@@H](CO)N1CCN(C(=O)C2CCC(Cl)CC2)CC1	1548670624	BJNXEKNQFSUZTC-RUXDESIVSA-N	302.846	1.699	50	20	DDGD	
CO[C@H]1CN[C@@](C)(C(=O)NNc2cccc3cnccc23)C1	1578949513	WEJLLFYLRCWBSU-MLGOLLRUSA-N	300.362	1.445	50	20	DDGD	
C[C@@H](N)C1(C(=O)NNc2nc3ccncc3s2)CCOCC1	1576107951	JYBZYHCLJBNDJF-SECBINFHSA-N	321.406	1.278	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H]2CCC=CO2)o1	1589774280	WNMZGTQMSCUVLS-MRVPVSSYSA-N	319.325	1.114	50	20	DDGD	
C[C@@]1(C(=O)N2CC3(CCCN3C(=O)[C@H](F)Cl)C2)CC1(F)F	1843367678	VTTGLKUJJVCUCL-KWQFWETISA-N	324.730	1.770	50	20	DDGD	
CO[C@@H]1C[C@H](c2ccccc2)CCC1=NNC(=O)NCC(=O)O	1599100704	RCZSGUFDPXFICT-TZMCWYRMSA-N	319.361	1.709	50	20	DDGD	
CS(=O)(=O)c1ccc(C(=O)NNc2ccccc2C(=O)O)o1	1599768285	JISWYHXBFCXVQC-UHFFFAOYSA-N	324.314	1.138	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCc1ccc(-c2nn[nH]n2)cc1F	1592662341	AUOMHGKNAWXAMY-LFYBBSHMSA-N	313.292	1.909	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C(=O)O)c1csc2ccccc12	1593101302	BSQMYJXJQDRFHP-ZETCQYMHSA-N	307.331	1.377	50	20	DDGD	
CCOc1ccc(NNC(=O)c2ccnc(C(=O)O)c2)cc1	1597126029	PGSFUIAYSWGTKZ-UHFFFAOYSA-N	301.302	1.935	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H]1C[C@@H](C(=O)O)c2ccccc21	1591765352	TYNZMZNXLHZPGL-YWOVDUEISA-N	300.314	1.860	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@H]1CC[C@@H](C(=O)O)CC1	1776293732	BICGDWCNBYLUGE-AOOOYVTPSA-N	311.831	1.814	50	20	DDGD	
O=C(NN=CCCc1ccncn1)Nc1ccc(C(=O)O)cc1	1776046356	MKBBCNJCQGNJGM-UHFFFAOYSA-N	313.317	1.915	50	20	DDGD	
O=C(NN=Cc1cccc(C(=O)O)c1Cl)c1cccnn1	1776103665	UPTHQBAGICWIMP-UHFFFAOYSA-N	304.693	1.592	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cnccn2)c1C	18102865	SSFMGEKLDWPRHA-LBPRGKRZSA-N	314.345	1.322	50	20	DDGD	
Cc1ccc(-n2nc(C)cc2NC(=O)NNC(=O)CCO)cc1	161140748	IOJJRUGLKASXCD-UHFFFAOYSA-N	317.349	1.024	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2c(Cl)nc3ccccn23)[nH]n1	151181352	LPXYCLQMULPBML-UHFFFAOYSA-N	318.724	1.094	50	20	DDGD	
O=C(Cn1c(=O)oc2ccccc21)NNc1ccccc1F	153019598	LOTXCMGBPRKKDV-UHFFFAOYSA-N	301.277	1.877	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C[C@H](C)c2ccc(F)cc2)[nH]n1	153283801	SQQFRRXTXAEFIH-VIFPVBQESA-N	304.325	1.812	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)c1cc(-c2ccccc2)on1	153351139	VECHOWLIIPAPSO-NSHDSACASA-N	317.345	1.918	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCn2cncc2C1)c1cc2ccccc2o1	153377645	QQPOIAKYVGUIOY-LBPRGKRZSA-N	324.340	1.653	50	20	DDGD	
CC[C@H](CC(=O)NNC(=O)[C@@H]1CCCO1)c1ccc(OC)cc1	157868408	ZGIVGUXLLNUNAP-DOMZBBRYSA-N	320.389	1.905	50	20	DDGD	
CC(C)NC(=O)NCCN(C)NC(=O)OCc1ccccc1	859386686	ZCLPEXTVRADCBK-UHFFFAOYSA-N	308.382	1.467	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)CNc2ccc(C)cc2C)[nH]n1	102891102	HSATVTKUFPZBMA-UHFFFAOYSA-N	315.377	1.462	50	20	DDGD	
COc1ccc(CCCC(=O)NNc2cccnn2)c(OC)c1	179145378	GIXZRXZCDBSEHW-UHFFFAOYSA-N	316.361	1.960	50	20	DDGD	
COc1ccnc(NNC(=O)CCCOCc2ccccc2)n1	50562342	JCTINMQQKCZAQN-UHFFFAOYSA-N	316.361	1.925	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cccc(C)c2)c1O	54163570	BSDLYPOOMDUHKC-UHFFFAOYSA-N	300.314	1.784	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NC[C@@H]1CCCOC1	57160438	NYCKJJABNAAHNE-LBPRGKRZSA-N	306.366	1.757	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1ccc([N+](=O)[O-])cc1	103504456	YAQXJQZCMLLSQK-UHFFFAOYSA-N	315.289	1.385	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)COC[C@H]2CCCO2)nn1	118525132	MPCBXHKULNKYPY-LLVKDONJSA-N	308.382	1.413	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)C(C)C)cc1C	176685687	GJALHJKDYQYQBC-LBPRGKRZSA-N	305.378	1.681	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)Cc2ccccc2F)cc1	66785080	NRMJJHBZVSTJKO-UHFFFAOYSA-N	315.348	1.895	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccsc1Cl	187557075	BWOOOQKIJKPLOF-ZCFIWIBFSA-N	303.771	1.534	50	20	DDGD	
N#Cc1cccc(NNC(=O)NCc2ccc(C(N)=O)cc2)c1	119841307	ZNJQFIRUPCQSJL-UHFFFAOYSA-N	309.329	1.483	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1	65885631	WOFBZCVNDCJIOC-UHFFFAOYSA-N	323.356	1.908	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@@H]1CCOc2ccc(F)cc21	171762711	KMYGVHYPBQCPPU-LLVKDONJSA-N	318.308	1.622	50	20	DDGD	
Cc1cncc(NC(=O)C(=O)NNc2c(F)cccc2F)c1	119739267	GGUGFYFXEKNUCV-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
Cc1ccnc(NNC(=O)CCNC(=O)OCC(F)(F)F)c1	176713247	XSNFSIVLUBADMH-UHFFFAOYSA-N	320.271	1.512	50	20	DDGD	
Cc1cc(NNC(=O)CCNC(=O)C2CCCCC2)nc(C)n1	128780539	BUCHENUKDGGYIY-UHFFFAOYSA-N	319.409	1.623	50	20	DDGD	
CC(C)c1ccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1	73079212	DPGJDGMEKLUQTM-HNNXBMFYSA-N	324.446	1.916	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnn(CCC)c1C1CC1	127380397	QGYORAHPKWOQDK-UHFFFAOYSA-N	307.398	1.915	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)N[C@H]1CCCOCC1	181817216	GOFCGJHAMQJABZ-NSHDSACASA-N	316.361	1.681	50	20	DDGD	
CCc1nc(NC(=O)NNC(=O)c2cccnc2)sc1C	186272876	FDWRJKDZUXKLMV-UHFFFAOYSA-N	305.363	1.875	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)Cc2cc(C)[nH]n2)cc1	121048114	CXGVMBAJSFFVMI-UHFFFAOYSA-N	318.402	1.509	50	20	DDGD	
COCc1cc(C(=O)NNC(=O)Nc2ccccc2C)no1	75566172	CVHDQIRLCYYTGP-UHFFFAOYSA-N	304.306	1.596	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccn(Cc2ccncc2)n1	185708227	JCDJWFVLKQZCIH-LLVKDONJSA-N	316.365	1.525	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)Cc2ccccc2F)cn1	181086317	LMFWCURBNZMTHM-UHFFFAOYSA-N	304.325	1.436	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CC(=O)NNc1cc(Cl)nc(N)n1	182787505	HRCDFHRPYLRQKA-ZCFIWIBFSA-N	324.772	1.954	50	20	DDGD	
O=C(NNC(=O)c1c(O)cccc1O)c1cccc(Cl)c1	180832688	CKJQFUBTAJKTOQ-UHFFFAOYSA-N	306.705	1.826	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)Cc1ccncc1	185883695	WUAKNVJFBSKDAX-CABCVRRESA-N	319.405	1.757	50	20	DDGD	
N#CCOc1cccc(CC(=O)NNc2ccnc(F)c2)c1	182405526	YPGUWTQDCDDEEG-UHFFFAOYSA-N	300.293	1.809	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1ccc(Cl)cn1	134753782	WTAJZDVQXSXSEX-UHFFFAOYSA-N	316.708	1.937	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NNc1cnccn1	133295773	ZXKFFIBJCQIUEK-AAEUAGOBSA-N	320.397	1.140	50	20	DDGD	
CCc1cccc(S(=O)(=O)NNC(=O)c2ccc(C)o2)c1	84461479	NNNUZUOJCKVVQH-UHFFFAOYSA-N	308.359	1.774	50	20	DDGD	
CCOC(=O)NNC(=O)Cc1cc(Br)ccc1F	136357954	BZHZIEVBZITCNQ-UHFFFAOYSA-N	319.130	1.908	50	20	DDGD	
CC(=O)N(C)CC(=O)NNc1ccccc1OC(F)(F)F	190196933	YIGHVEYNSGCOLK-UHFFFAOYSA-N	305.256	1.507	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(I)cc1	192590607	BUIACTXLEMGERK-UHFFFAOYSA-N	320.086	1.292	50	20	DDGD	
COCCCC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	44955749	ADHGSCCNABTCTK-CYBMUJFWSA-N	308.378	1.645	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)c2ccc3c(c2)CCC3)n1	194552547	UBULVUKNSFIPHF-UHFFFAOYSA-N	310.357	1.908	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)NCc1ccncc1	42888930	CMQNRKOSEXRBHA-UHFFFAOYSA-N	318.308	1.130	50	20	DDGD	
CN1CCO[C@H](C(=O)NNc2ccc(OC(F)(F)F)cc2)C1	134283915	HXUJTSMTTCPNJF-NSHDSACASA-N	319.283	1.359	50	20	DDGD	
C=C[C@@](C)(CC)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1	134939689	XCAASXWXAVXHGZ-HNNXBMFYSA-N	324.402	1.453	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)Cc1ccncc1	194996626	ONUCOBKTXMYSMB-NSHDSACASA-N	317.320	1.378	50	20	DDGD	
CCCn1c(C(=O)NNC(=O)CN(C)C)cc2ccccc21	190507581	KIVUREGGABOUHA-UHFFFAOYSA-N	302.378	1.374	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cnc3ccccc3n2)o1	193541240	NIVSYBJJVBSFNI-UHFFFAOYSA-N	312.285	1.766	50	20	DDGD	
O=C(CCc1nc(C2CCCC2)no1)NNC(=O)C1CCC1	268594337	VXAQQSMFSTZNNL-UHFFFAOYSA-N	306.366	1.607	50	20	DDGD	
COc1ccc(CCCC(=O)NNC(=O)C2CC2)c(OC)c1	269888892	CQEFWZJJIDPZOH-UHFFFAOYSA-N	306.362	1.584	50	20	DDGD	
C#CCN1CCC(C(=O)NNc2cccc([N+](=O)[O-])c2C)CC1	269617706	REMCXILBOUIWQY-UHFFFAOYSA-N	316.361	1.692	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12	271496882	KRSZHRRZUUKNEH-CMPYXILNSA-N	313.357	1.631	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1cccc(Br)c1	272701283	UMVQKERKHPXSPZ-UHFFFAOYSA-N	314.183	1.684	50	20	DDGD	
COC[C@H](NC(=O)NNc1c(C)cccc1F)[C@@H]1CCCO1	279739210	OMIFAXLCJPGYTM-STQMWFEESA-N	311.357	1.954	50	20	DDGD	
CC(C)(C)OC(=O)C(=O)NNc1nc(C(F)(F)F)cs1	274043174	DTYZBKUDPWWKPN-UHFFFAOYSA-N	311.285	1.947	50	20	DDGD	
CC(C)(C)c1nnc2ccc(C(=O)NNC(=O)NC3CC3)cn12	274480755	ZWROVTKJIVXVFW-UHFFFAOYSA-N	316.365	1.133	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCc2c(C)noc2C)n1	279859667	UYWJZCGXKSSBIL-UHFFFAOYSA-N	302.334	1.389	50	20	DDGD	
C[C@](O)(CC(=O)NNc1nc(-c2ccccc2)no1)C1CC1	270049781	LWDHMGAVRXYMRN-HNNXBMFYSA-N	302.334	1.731	50	20	DDGD	
CCC(C)(C)CNC(=O)NNC(=O)COc1ccc(OC)cc1	277529118	SGDSZVVNUQVATQ-UHFFFAOYSA-N	323.393	1.841	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C(C)(C)C)cc1NC(C)=O	271377744	JQXIXSZQBMTRKF-UHFFFAOYSA-N	322.365	1.852	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1cnn(CC(F)(F)F)c1	272576902	LWBHOPPZVHYKQP-UHFFFAOYSA-N	305.260	1.398	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccccc1CCN(C)C	275694025	RVDZAJXSKZVZGR-UHFFFAOYSA-N	306.410	1.990	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(C(F)(F)F)ccn1	277958335	GYMXYWABKTXVBI-UHFFFAOYSA-N	305.260	1.798	50	20	DDGD	
CC(C)(C)[C@@H]1CN(C(=O)NNC(=O)c2ccccc2)CCO1	280111227	OVTZGWLHIFFMJN-ZDUSSCGKSA-N	305.378	1.788	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)COc1ccccc1OC)C(C)C	282081743	BUNBSEYQCNXKFZ-LBPRGKRZSA-N	319.361	1.062	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C2=COCCO2)c(C)c1	298278210	PLEPKFPIMKTCGG-UHFFFAOYSA-N	307.375	1.509	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cc(Br)cs1	299324641	ZZDBPVIGKWTLNE-UHFFFAOYSA-N	306.185	1.863	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1nc2cccnc2s1	801217296	OLTDRAWPFNIMHN-UHFFFAOYSA-N	306.738	1.892	50	20	DDGD	
CCOc1ncc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1Cl	292072455	DSIOKYOKABAHMQ-JTQLQIEISA-N	313.741	1.074	50	20	DDGD	
C[C@H]1CCCN(C(C)(C)CNC(=O)NNc2ncncc2F)C1	292592225	AZCWEAYEZHJBKI-NSHDSACASA-N	324.404	1.752	50	20	DDGD	
CCCN(CC)C[C@@H](C)NC(=O)NNc1cncc(Cl)n1	291035276	HJMRAODBDNTMAL-SNVBAGLBSA-N	314.821	1.877	50	20	DDGD	
C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(C/C=C/C#N)C1=O	298326448	NMOIEDAVVHOSIA-KZSQQDEKSA-N	313.313	1.348	50	20	DDGD	
C/C(N)=C(/C#N)c1nc(-c2ccc(S(C)(=O)=O)nc2)cs1	806553625	ULPJIRCMGBETEW-CSKARUKUSA-N	320.399	1.822	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cccc2c1CCCC2	294614683	DTZOKFUXDGECBX-UHFFFAOYSA-N	303.362	1.252	50	20	DDGD	
Cc1nn(CC(F)(F)F)cc1C(=O)NNC(=O)CC1CC1	294022116	CGPNJGBUTPSHCF-UHFFFAOYSA-N	304.272	1.315	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H]2CC(=O)N(C(C)C)C2)cc1	297304843	QPGIRKLFNWZOKL-ZDUSSCGKSA-N	320.393	1.721	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cnn2c1CCC2	295626959	CKHKNNLFUURBFF-UHFFFAOYSA-N	301.306	1.803	50	20	DDGD	
C[C@H]1C[C@H](C)CCN1CC(=O)NNC(=O)c1ccc(F)cc1	299296887	OEMZLFQWNACRSY-NEPJUHHUSA-N	307.369	1.707	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C(=O)c1ccc(O)cc1	806829259	VZMXQRDSHNOVRI-UHFFFAOYSA-N	314.297	1.045	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1ccccc1	299003258	NMUFKGIOYASZPL-CYBMUJFWSA-N	303.362	1.239	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Nc2cccc(F)c2Cl)cn1	806770993	IEUXZNNODUTNNM-UHFFFAOYSA-N	311.704	1.679	50	20	DDGD	
Cc1cnc(COCC(=O)NNC(=O)Nc2ccccc2)o1	803395986	JFKDFQRGABAZIO-UHFFFAOYSA-N	304.306	1.353	50	20	DDGD	
Cc1ccc(C(F)(F)C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	293773649	AYKMZMJULAMEHP-JQWIXIFHSA-N	312.316	1.802	50	20	DDGD	
CN(NC(=O)c1cc(N)nc(Cl)c1)C(=O)OC(C)(C)C	297572464	HGLXMPUHMNGOIA-UHFFFAOYSA-N	300.746	1.829	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cnn(CCF)c1)c1ccccc1	806832208	LEBCNTZGCZBACY-CQSZACIVSA-N	318.352	1.807	50	20	DDGD	
CCN(C)C(=O)c1cccc(NC(=O)NNC(=O)C(C)(C)C)c1	806773931	GEXVKNXRFMEXRO-UHFFFAOYSA-N	320.393	1.977	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NNc2ccncn2)C1	295617923	ZIRYTKYUUAWTAA-NWDGAFQWSA-N	305.382	1.204	50	20	DDGD	
O=C(NCCCOc1ccccc1)NNc1ncncc1F	814276539	ZVGHXIJWZXAITE-UHFFFAOYSA-N	305.313	1.711	50	20	DDGD	
C=C(CBr)COC(=O)[C@H]1CCc2nnn(C)c2C1	811341494	XMOAXGCDTKGWPA-VIFPVBQESA-N	314.183	1.414	50	20	DDGD	
CC(C)CCC(=O)NCC(=O)NNc1nc2ccccc2n1C	816576797	JMHDAVSVQFNXFV-UHFFFAOYSA-N	317.393	1.569	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2c[nH]c(C(F)(F)F)c2)n1	816545915	NNEXTLWXHALNNJ-UHFFFAOYSA-N	312.251	1.812	50	20	DDGD	
C/C(=C/c1cccc(Cl)c1)C(=O)NNc1nccn(C)c1=O	810470094	RHWBHVXREVZXHT-NTMALXAHSA-N	318.764	1.980	50	20	DDGD	
Cc1ncc(C=NNC(=O)Cc2cc[nH]n2)n1-c1ccccc1	814955842	ZXZULWDAXAWYPH-UHFFFAOYSA-N	308.345	1.597	50	20	DDGD	
C=CCC(F)(F)C(=O)NNC(=O)COc1ccccc1F	814720545	LDRWTGZJJPXWEZ-UHFFFAOYSA-N	302.252	1.563	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1nc2ccccc2n1C)C(C)C	816577667	VPDFEYJETXDECG-ZDUSSCGKSA-N	303.366	1.177	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2c(Cl)nc(N)n2C)c(O)c1	814811102	PCQOIGQFHRCJEV-UHFFFAOYSA-N	307.741	1.434	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)c1)NOC/C=C\Cl	811978844	CAJOGIJBRCXUEA-DJWKRKHSSA-N	304.133	1.968	50	20	DDGD	
CN(NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1)C1CC1	819648091	WYDYGWMPWMZQHQ-DZGCQCFKSA-N	321.808	1.985	50	20	DDGD	
Cc1nc(-c2ncccn2)sc1C(=O)NNC(=O)CC1CC1	819118595	XZQWNKSLVNNRGQ-UHFFFAOYSA-N	317.374	1.470	50	20	DDGD	
CCC[C@@H]1C[C@H]1C(=O)NNC(=O)Cc1cn2ccccc2n1	812525826	OCFRQWMFCSYSBH-DGCLKSJQSA-N	300.362	1.460	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cnc(-c2ccccc2)s1	727254232	RQIWBOJBFXMFQC-UHFFFAOYSA-N	316.386	1.785	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1	823950642	IZABEGLVFDRFDA-MGCOHNPYSA-N	314.386	1.030	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1C[C@@]1(C)c1ccccc1	826076004	KKOSOJLGOOTFRC-MJFSBKNWSA-N	317.389	1.472	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)cc1	822202769	OPXNDRBEOUUTJM-KCQAQPDRSA-N	302.374	1.957	50	20	DDGD	
CCCNC(=O)NN=C[C@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2	497021114	XAJRQDUAUXQQNE-ABAIWWIYSA-N	310.398	1.938	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NC[C@H](CO)[C@@H]1CCOC1	491012230	QOBSOQKFIIYDKF-SVKPKARSSA-N	316.357	1.060	50	20	DDGD	
CCNC(=O)NN=C[C@H](CCOC)NC(=O)OC(C)(C)C	497077167	CXTQEUBIXVKLOP-JTQLQIEISA-N	302.375	1.221	50	20	DDGD	
CC1(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)CCCC1	824783943	KZPXTTGARAPDTA-UHFFFAOYSA-N	321.772	1.939	50	20	DDGD	
Cc1ccc([C@H](CNS(=O)(=O)CCl)N2CCOCC2)o1	820781614	BUGBBIYYRSOAKC-NSHDSACASA-N	322.814	1.077	50	20	DDGD	
Cc1ncccc1C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	495351688	HCEXJLLPAPELBA-UHFFFAOYSA-N	322.365	1.066	50	20	DDGD	
O=C(/C=C\[C@H]1CCOC1)NNc1ccnc(Br)c1	493752580	JTMADZVZIPKMJT-IYABHPQVSA-N	312.167	1.880	50	20	DDGD	
C[C@@H]1OC(=O)N[C@H]1C(=O)NNc1ccc(Cl)cc1Cl	497083156	PVWFNYCXMTWDDR-SSDLBLMSSA-N	304.133	1.933	50	20	DDGD	
Cc1noc([C@H](C)NC(=O)NNc2cccc([N+](=O)[O-])c2C)n1	728132547	RKYRJDFNTDLCQB-QMMMGPOBSA-N	320.309	1.982	50	20	DDGD	
COC(=O)NNC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1	495326124	GTCMTEWHHPOHIU-UHFFFAOYSA-N	313.313	1.684	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)C1CCC(NC(=O)C(C)(C)C)CC1	823928674	QGRKUALJMMGZQA-PNESKVBLSA-N	313.442	1.051	50	20	DDGD	
CC(=O)NNC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1	725878795	PWEMUYINYUTWOB-UHFFFAOYSA-N	301.133	1.351	50	20	DDGD	
COc1cccc(NNC(=O)c2cc(C(F)(F)F)nn2C)n1	828076714	CNGOBKQDBOPBHY-UHFFFAOYSA-N	315.255	1.599	50	20	DDGD	
COCCN1CCC[C@H](NC(=O)[C@]2(C)C[C@H]2Br)C1	906598064	TUYRSMPHHKGETC-DMDPSCGWSA-N	319.243	1.387	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@]1(c2ccccc2)CCCO1	823475636	QRVCSJHHLSVNHM-DXCKQFNASA-N	318.373	1.265	50	20	DDGD	
CCC[C@H]1CCCC[C@H]1NC(=O)c1cc(B(O)O)ccc1F	584945574	ZURODPJDVHYHBW-XHDPSFHLSA-N	307.174	1.594	50	20	DDGD	
O=C(NNc1ncncc1F)c1cccc(N2CCOC2=O)c1	496253675	IZBWGIHIUANUPJ-UHFFFAOYSA-N	317.280	1.329	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CSC[C@@H]1C(=O)NCC(C)C	490784073	WIFPAANHHABPIM-SEVUFMINSA-N	311.407	1.104	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)cc1	908274378	PPYKWPPWYGUJHM-APHBMKBZSA-N	316.357	1.000	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1	823939318	IYVGYUDSJMNCQZ-QPUJVOFHSA-N	321.204	1.761	50	20	DDGD	
CCCO[C@@H](C(=O)NN(CC)CCO)c1ccc(F)cc1C	823377038	NAILYHOXTPBCJW-OAHLLOKOSA-N	312.385	1.947	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc2c(c1)CCCO2	901195596	VTGXXVGFYPSRAO-LBPRGKRZSA-N	306.362	1.513	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)C1(NC(=O)OC(C)(C)C)CCCC1	823959174	COPQTDLVOKDASA-LLVKDONJSA-N	315.414	1.168	50	20	DDGD	
CC(C)[C@H]1CC[C@H](C)CCN1C(=O)c1cccc(B(O)O)c1	584950790	ZKTAMJWUPIVLKI-XJKSGUPXSA-N	303.211	1.653	50	20	DDGD	
CCC(=NNC(=O)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1	735413227	IERDCPLQQBYKGH-UHFFFAOYSA-N	301.306	1.872	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1C[C@H](C(F)(F)F)CC[C@@H]1C	828756343	WAYYONMHAQEGIL-VHSXEESVSA-N	309.332	1.453	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)[C@@H](C)N(C)C)c1	822764645	MCHDGDXNXGZBOV-MRVPVSSYSA-N	314.773	1.451	50	20	DDGD	
Cc1nc2ccccc2n1CCCNCc1ccc(B(O)O)cc1	585014735	ZPHZVHCEGRHNFR-UHFFFAOYSA-N	323.205	1.204	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(C)CCc1ccccc1F	732204637	PWTLIAQJCDGXGW-ZDUSSCGKSA-N	323.412	1.882	50	20	DDGD	
CCN1C(=O)CCc2cc(NCc3ccccc3B(O)O)ccc21	585033770	BWJZVAVYTBOKGQ-UHFFFAOYSA-N	324.189	1.278	50	20	DDGD	
OB(O)c1ccc(-c2noc(CC3(C(F)(F)F)CC3)n2)cc1	585055219	SRBKXHIPEUDZIS-UHFFFAOYSA-N	312.056	1.301	50	20	DDGD	
COC(=O)N1CCC(NC(=O)[C@]2(C)C[C@@H]2Br)CC1	906404541	LWMDRCXMYQBXEO-JOYOIKCWSA-N	319.199	1.507	50	20	DDGD	
CCN(CC)Cc1ccc(NCc2ccccc2B(O)O)cc1	585036964	PPSQMTXRGVJMEQ-UHFFFAOYSA-N	312.222	1.820	50	20	DDGD	
Cc1cc(C(=O)N2CC[C@H](B(O)O)C2)c(C)n1-c1nccs1	585068833	FUVLMOROXNTMHV-NSHDSACASA-N	319.195	1.240	50	20	DDGD	
COC(=O)c1ccc(CCC(=O)NNC(=O)C2CCC2)cc1	732142284	UJYGUDVVBOQWLA-UHFFFAOYSA-N	304.346	1.353	50	20	DDGD	
O=C(NNc1ncccc1Cl)c1cccc(-c2nn[nH]n2)c1	738137821	SCKXNIDCHFYQJW-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccc(N2CCCCC2=O)c1	494365279	QXPYITIXJAMLDM-UHFFFAOYSA-N	320.349	1.986	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC[C@H]2CC[C@H](C)O2)cc1	838741683	OCGMMICFDMKRGI-GXTWGEPZSA-N	321.377	1.272	50	20	DDGD	
CC(C)(CNC(=O)c1cccc(B(O)O)c1)c1cccs1	584947663	XJBSPVZHQFLJSA-UHFFFAOYSA-N	303.192	1.136	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NN=C1CCNC(=O)CC1	834929546	DZNHGQADOQFMBM-SNVBAGLBSA-N	307.325	1.365	50	20	DDGD	
COc1cccc(CO[C@H](C)C(=O)NNC(=O)C2CCC2)c1	732144086	NNONAOMTWJBLHP-LLVKDONJSA-N	306.362	1.548	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@H]1CCCc2nn[nH]c21	830430436	GHGSHCQIRYQNSQ-ZETCQYMHSA-N	315.362	1.373	50	20	DDGD	
COCCCOCCN(C)C(=O)[C@@]1(C)C[C@@H]1Br	907215056	KHUCVISUGVTNHO-JQWIXIFHSA-N	308.216	1.671	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCC[C@@H]2CCOC2)n1	836647424	MALQDZJGMJERHJ-LLVKDONJSA-N	309.370	1.236	50	20	DDGD	
COCCN(C)NC(=O)[C@@H](O)c1cccc(Br)c1	908116088	WPJSGNHPDSROQU-NSHDSACASA-N	317.183	1.092	50	20	DDGD	
C[C@]1(C(=O)N2CCC(c3nc[nH]n3)CC2)C[C@@H]1Br	906937911	NBVKNRTUBIEVSM-CABZTGNLSA-N	313.199	1.684	50	20	DDGD	
C#CCOc1ccc(C(=O)NNc2ccc(C(=O)O)cn2)cc1	833366151	ITLDZARKLHNBMV-UHFFFAOYSA-N	311.297	1.549	50	20	DDGD	
CC(C)[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)[C@H]1C(C)C	584996371	GIZGRHNBPWCJOA-HIFRSBDPSA-N	307.174	1.258	50	20	DDGD	
CCCNC(=O)NNC(=O)CCCc1ccc2nc(O)[nH]c2c1	730216535	ZHASHVPNHCTHJE-UHFFFAOYSA-N	319.365	1.332	50	20	DDGD	
O=C(NN=C1CCN(c2ccc(F)cc2F)CC1)c1ncon1	901286692	XRSLUQOAKYWZBZ-UHFFFAOYSA-N	321.287	1.734	50	20	DDGD	
COC(C)(C)C[C@@H](C)NC(=O)NNC(=O)[C@H]1CCCCO1	836324369	MGDZVWGFBCWECV-GHMZBOCLSA-N	301.387	1.090	50	20	DDGD	
CC(C)(C)Cc1nc(-c2ccc(C(=O)NCB(O)O)cc2)no1	585060088	MINZQDQFBNQXDF-UHFFFAOYSA-N	317.154	1.067	50	20	DDGD	
CN1C(=O)CCC[C@H]1C(=O)NNC(=O)c1cccc(Cl)c1	905110728	LKECLVCWCYJSMW-NSHDSACASA-N	309.753	1.112	50	20	DDGD	
COC(=O)c1cc(OC(=O)Cc2cccnc2)ccc1[N+](=O)[O-]	732651394	JWDYKTLOFTXRMW-UHFFFAOYSA-N	316.269	1.925	50	20	DDGD	
C[C@@H](Oc1ccc(C=NNC(=O)[C@H]2CCCCO2)cc1)C(=O)O	834984968	FLCRCCIPLHUKMP-BXUZGUMPSA-N	320.345	1.558	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Cc1cccc(C2CC2)c1	839696875	RAUIIQBGLADMIP-UHFFFAOYSA-N	309.369	1.892	50	20	DDGD	
COC(=O)C1(C#N)CCN(C[C@@H](C)CBr)CC1	831699782	VQVKCEYMKVFSMW-JTQLQIEISA-N	303.200	1.796	50	20	DDGD	
C[C@H]1CC=C(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CC1	836266274	SFFRBRCLIDYING-NSHDSACASA-N	316.357	1.965	50	20	DDGD	
CC(C)[C@@H](CC(=O)NNC(=O)c1ncon1)c1ccccc1	832825873	KDQBFPKMTQQKIG-GFCCVEGCSA-N	302.334	1.661	50	20	DDGD	
CC(C)(C)c1csc(CNCc2ccccc2B(O)O)n1	585022679	WCSLKPRPCKWBAT-UHFFFAOYSA-N	304.224	1.410	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1cccc(OCC(=O)O)c1	833421735	APPPCPMMDRFLMS-UHFFFAOYSA-N	309.322	1.349	50	20	DDGD	
CC[C@@H](Cc1ccccc1C)C(=O)NNC(=O)c1ncon1	832830347	NFSPGNRAWHJQIW-NSHDSACASA-N	302.334	1.408	50	20	DDGD	
C=CCOCCNC(=O)NNc1ccc(C(=O)OC)c(F)c1	838540253	GFXODFVAEAAAEH-UHFFFAOYSA-N	311.313	1.441	50	20	DDGD	
COCc1cccc(C(=O)NNc2ccnc(N(C)C)n2)c1	740108426	ZXYSVIGPOPICEI-UHFFFAOYSA-N	301.350	1.446	50	20	DDGD	
CN(C)c1nccc(NNC(=O)CSc2ccc(F)cc2)n1	740107142	CWMGVGNTCVOMKF-UHFFFAOYSA-N	321.381	1.917	50	20	DDGD	
Cc1cncc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c1	742478673	RVVBYIYIUPQKGY-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NNC(=O)CC(F)(F)F	918367023	JEFMYFZZZJEOFI-UHFFFAOYSA-N	314.267	1.445	50	20	DDGD	
COCc1cccc(C=NNC(=O)[C@@H](C)CN2CCOCC2)c1	743431036	PGPDECJUIBJECT-AWEZNQCLSA-N	319.405	1.251	50	20	DDGD	
CCn1nncc1C=NNC(=O)COc1ccc(C)c(C)c1	841607122	QLCJUOVKJNPMPT-UHFFFAOYSA-N	301.350	1.444	50	20	DDGD	
CCc1noc(CCCC(=O)NNC(=O)CC(F)(F)F)n1	918367505	WLMFVHWATIWDDW-UHFFFAOYSA-N	308.260	1.055	50	20	DDGD	
Cn1cc(CC(=O)NNC(=O)c2ccncc2)c2ccccc21	743841974	JVXQWIVBTXHXQQ-UHFFFAOYSA-N	308.341	1.577	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C(C)(C)C1CCC(O)CC1	843970196	CBRDYIFLMDXJRS-XVSSEFHLSA-N	312.410	1.136	50	20	DDGD	
CO[C@@H]1CCCC[C@H]1NCC(=O)NNC(=O)c1ccc(C)cc1	844405754	CXFLUXHLQDEKPT-HUUCEWRRSA-N	319.405	1.303	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCc1cccn1C	743709465	CEZKOCYZJLEMSI-UHFFFAOYSA-N	301.350	1.869	50	20	DDGD	
COc1cc(Cl)c(F)c(C(=O)NNC(=O)C(C)(C)O)c1	840434850	TXEOCMMZPFKUHB-UHFFFAOYSA-N	304.705	1.020	50	20	DDGD	
CCn1ccc(CNC(=O)NNc2cccc(C(=O)OC)c2)n1	840398929	IDKHRFPCCWWRIR-UHFFFAOYSA-N	317.349	1.516	50	20	DDGD	
O=C(NNC(=O)c1ccccc1OCC1CC1)c1ncccn1	841353996	JBRFIXDEXAEFJW-UHFFFAOYSA-N	312.329	1.340	50	20	DDGD	
CCCN1CCC[C@H](C(=O)NNC(=O)c2cc(C)cs2)C1	912979983	LEQOSTBNPQUVSB-LBPRGKRZSA-N	309.435	1.940	50	20	DDGD	
CC[C@H](Oc1ccccc1C)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843656510	YKZURZVHXHQXDC-IHRRRGAJSA-N	320.389	1.725	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CSCCC(C)(C)O)cc1	848444174	IYEDESNTJTYGNE-UHFFFAOYSA-N	310.419	1.650	50	20	DDGD	
C[C@@H]1NC(=O)[C@H](C)N(C(=O)/C(C#N)=C\c2ccc(O)cc2)[C@H]1C	911799671	KIBNISPOJFNJSX-SXLAMHARSA-N	313.357	1.423	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1ccc([N+](=O)[O-])cc1	748253658	QEVGDGFACSDOMY-LLVKDONJSA-N	309.322	1.487	50	20	DDGD	
CN(C)N(C(=O)C=C1CCCCC1)[C@H]1CCS(=O)(=O)C1	919989104	GWLWDFHAKOOAOJ-ZDUSSCGKSA-N	300.424	1.369	50	20	DDGD	
CCc1ccc2c(c1)C(=NNC(=O)[C@H](C)OCCOC)C(=O)N2	748252534	GNINGHMWRGHPLG-JTQLQIEISA-N	319.361	1.073	50	20	DDGD	
CC(C)Oc1ccc(S(=O)(=O)NCCCSC#N)cn1	917000023	QNCAHFWEESDNQM-UHFFFAOYSA-N	315.420	1.751	50	20	DDGD	
CC(=NNC(=O)CNc1ccccc1F)c1cc2n(n1)CCC2	841602403	FLXNQASLUBEQOM-UHFFFAOYSA-N	315.352	1.921	50	20	DDGD	
C[C@]1(CNS(=O)(=O)c2ccc(CCl)cc2)CCC(=O)N1	916192415	HFFCEGHYUUZNJZ-CYBMUJFWSA-N	316.810	1.372	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc(OC)c(F)c1	740763534	KQCAOSRGRACYEF-UHFFFAOYSA-N	309.341	1.589	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C[C@H]1OCCc2ccccc21	843650651	FZGLMGOVXYCYBL-NJZAAPMLSA-N	318.373	1.263	50	20	DDGD	
COc1ccc([C@@H](C)NC(=O)NNC(=O)c2ccc[nH]2)cc1	746961616	ALEGVORMKSWAQM-SNVBAGLBSA-N	302.334	1.729	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@H](O)c1ccccn1	840545989	WVTTVOGVHDDGAO-LLVKDONJSA-N	321.768	1.825	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=Cc1cccc2cccnc12	743446552	ZOHPUCJIVNJGOJ-UHFFFAOYSA-N	323.312	1.129	50	20	DDGD	
COc1ccc(NC(=O)NN=C[C@H](OC)[C@@H]2CCOC2)cc1	841641136	TZPHNCXMOHJVLT-RISCZKNCSA-N	307.350	1.854	50	20	DDGD	
CO[C@H](C=NNC(=O)c1ccc2c(c1)OCO2)[C@@H]1CCOC1	841604482	LNGSQSAWGLFKKZ-BXUZGUMPSA-N	306.318	1.182	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12	929790782	MUMWWSNPXQFYDG-BZNIZROVSA-N	301.346	1.090	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(O)nc2ccccc12	843638924	FFHRRTVXKXIYQY-VHSXEESVSA-N	315.329	1.126	50	20	DDGD	
Cc1cc(C(=O)NNc2cnccn2)ccc1N1CCOCC1	843859462	RBZACHFVHZXIFG-UHFFFAOYSA-N	313.361	1.379	50	20	DDGD	
CCCN1C(=O)C(=NNC(=O)[C@H]2CCO[C@H]2C)c2ccccc21	842554310	HQCRQQJBDDNXMG-RYUDHWBXSA-N	315.373	1.689	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](Oc2ccccc2)C1	852681179	MVCJJAJDWBCBIW-GXTWGEPZSA-N	305.378	1.086	50	20	DDGD	
COC1CC(C(=O)NNC(=O)Cc2cccc3ccccc23)C1	858231317	LIINLPXDVSVGGD-UHFFFAOYSA-N	312.369	1.955	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cncc(F)c1)c1ccccc1	759193652	NOBLPZDZBXLJHX-UHFFFAOYSA-N	301.321	1.960	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(F)c(OC)cc1OC	757627177	ABTUXSDCHYJKKX-UHFFFAOYSA-N	315.301	1.032	50	20	DDGD	
CN(C)C(=O)COc1ccccc1C=NNC(=O)C(C)(C)C	920373444	APEBKUPDFYAHRS-UHFFFAOYSA-N	305.378	1.650	50	20	DDGD	
Cc1ccccc1C[C@H](CO)NC(=O)NNC(=O)C1CCCC1	753356255	WHCBVEXLRMELAX-OAHLLOKOSA-N	319.405	1.419	50	20	DDGD	
O=C(NN=Cc1scnc1C1CC1)[C@@H]1CN2CCC[C@@H]2CO1	853389878	CIMYDDYWTZEVIB-NEPJUHHUSA-N	320.418	1.334	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)CCOc1ccccc1)C1CC1	852029925	VHESBFWCKCMKDI-AWEZNQCLSA-N	305.378	1.975	50	20	DDGD	
Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@]1(C)C[C@@H]1Br	857249165	CPWBCBDTNVCNTH-ONGXEEELSA-N	316.155	1.837	50	20	DDGD	
COc1ccc2c(c1)CC[C@H](NC(=O)NNc1cccnn1)C2	753289851	ZCGWODRVHGVLPS-ZDUSSCGKSA-N	313.361	1.669	50	20	DDGD	
C[C@H](C=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1	756878671	CRMIETJATKHUIT-ZYHUDNBSSA-N	312.366	1.466	50	20	DDGD	
O=C(OC[C@H](CBr)C1CC1)C1(n2cnnn2)CC1	859745306	MVGVDAOXLDPGGQ-VIFPVBQESA-N	315.171	1.127	50	20	DDGD	
N#C[C@@H](CCc1ccccc1)C(=O)NNC(=O)C1CCOCC1	923057124	DFNZIYCYJRPDIQ-OAHLLOKOSA-N	315.373	1.333	50	20	DDGD	
Cc1cc(=NNC(=O)NCc2nc3c(s2)CCC3)cc[nH]1	924601412	ZLQMSVZVNJUWAY-UHFFFAOYSA-N	303.391	1.583	50	20	DDGD	
Cc1ccc(NCCCNS(=O)(=O)CCl)c([N+](=O)[O-])c1	754061681	YNBJUFYKQKGWHE-UHFFFAOYSA-N	321.786	1.821	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2C[C@@H](C)Cc3c[nH]nc32)nc(C)n1	857857029	GUAGNSQMIUHVAQ-UFBFGSQYSA-N	300.366	1.626	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@@H]1CCN2CCCC[C@H]12	856841156	CHRUBCIICUMFFN-GHMZBOCLSA-N	310.789	1.383	50	20	DDGD	
O=C(CC[C@H]1CC1(Cl)Cl)NNC(=O)[C@H]1CCCCO1	854683029	JXXSWVCBTLOSRY-DTWKUNHWSA-N	309.193	1.677	50	20	DDGD	
CNc1snc(C)c1C(=O)NNc1ccc(C(=O)OC)cn1	759730258	GHUOZSNRWTYOCN-UHFFFAOYSA-N	321.362	1.432	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1cnn(CC(F)(F)F)c1	756650499	XXIRHGQZOQKOOJ-UHFFFAOYSA-N	319.287	1.788	50	20	DDGD	
CCO[C@@H]1C[C@H](NCC(=O)NNC(=O)C2CC2)C1(CC)CC	759438820	WQQPKRYYBYWOQH-QWHCGFSZSA-N	311.426	1.117	50	20	DDGD	
CNC[C@@H](C)NC(=O)NNC(=O)c1ccc(Cl)cc1Cl	851680672	KIAYBYVHMFAZIK-SSDOTTSWSA-N	319.192	1.545	50	20	DDGD	
COC[C@H](C)Oc1ccc(C=NNC(=O)Cc2cc[nH]n2)cc1	853351234	YVLLCRWREIVPRR-LBPRGKRZSA-N	316.361	1.516	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@@H](O)CCc1ccccc1	855090811	QQUJYFYGRZMHPY-AWEZNQCLSA-N	321.446	1.276	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2cccn2C)cc(OC)c1	755373414	FHVRCIXOZTZNRJ-UHFFFAOYSA-N	318.333	1.509	50	20	DDGD	
COc1ccc(C(=O)CCCCC(=O)NNC(=O)C2CC2)cc1	759000243	OXYLJYHACJSBLZ-UHFFFAOYSA-N	318.373	1.996	50	20	DDGD	
COC(=O)c1coc(C(C)=NNC(=O)NCC(F)(F)F)c1	766449237	AIVNYHVBGLZRNZ-UHFFFAOYSA-N	307.228	1.652	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCC1(O)CCOCC1	768200334	PYTCTEOFGBBJFF-VIFPVBQESA-N	308.216	1.454	50	20	DDGD	
COc1ccc(NNC(=O)C2(C)CCOCC2)c([N+](=O)[O-])c1	768332444	ZOOPJCSBTYNXKO-UHFFFAOYSA-N	309.322	1.863	50	20	DDGD	
CN(CC(=O)NNc1cccc(S(C)(=O)=O)c1)C1CCC1	863903716	QKQPAVAZNHBBKG-UHFFFAOYSA-N	311.407	1.018	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NNC(=O)Cc1ccc(F)cc1	862992975	KKMJIEBTQFDIQZ-CYBMUJFWSA-N	307.369	1.388	50	20	DDGD	
Cc1nc2c(C(=O)NNCC(F)(F)C(F)(F)F)ccnc2[nH]1	863098601	PJCBGDKKZUZNOA-UHFFFAOYSA-N	323.225	1.698	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C/c1cn(C[C@@H]2CCCO2)nn1	865216559	GYTHFZVVPIBJAL-CYIWUNGXSA-N	303.366	1.136	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)N[C@@H]3CCC(C)(C)C3)nc21	769024598	YKPXPZFJVNCNCI-MRVPVSSYSA-N	319.369	1.274	50	20	DDGD	
OB(O)c1ccccc1CNc1ccc(F)cc1OC(F)F	864030754	PCMKOOZNUYYJQG-UHFFFAOYSA-N	311.068	1.719	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)N[C@H]2CCS(=O)(=O)C2)C[C@H]1C	767370721	MAEIXXXPKOKOAB-FOGDFJRCSA-N	301.412	1.285	50	20	DDGD	
O=C(NN=C1CCN2CCC[C@H]12)c1ccc2c(c1)OCCO2	765573356	UKEVDVJVVWKABM-CYBMUJFWSA-N	301.346	1.412	50	20	DDGD	
CCOc1cccc(NC(=O)NNC(=O)c2cccnc2)n1	765313669	FUVIVDMNNHICDN-UHFFFAOYSA-N	301.306	1.342	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)Cc2cc(C)[nH]n2)c(Cl)c1	869014572	UNAXYTHZLJECNO-UHFFFAOYSA-N	320.780	1.613	50	20	DDGD	
Cc1cccc2sc(NNC(=O)NC[C@H]3COCCO3)nc12	868119891	FDSBXZLWKJRONU-JTQLQIEISA-N	322.390	1.646	50	20	DDGD	
COc1cccc(F)c1C(=O)NNC(=O)CNc1ccccc1	760994776	GCAPCLWDGKEPJR-UHFFFAOYSA-N	317.320	1.707	50	20	DDGD	
O=C1OCCN1NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	862701918	PPEVPAZUHAJZIT-DKCNOQQISA-N	303.156	1.424	50	20	DDGD	
C[S@](=O)Cc1ccccc1NC(=O)NNC(=O)c1ccc[nH]1	762923265	WZCPFMNQOAMPHI-QFIPXVFZSA-N	320.374	1.360	50	20	DDGD	
Cc1ncc(S(=O)(=O)NNC(=O)c2ccccc2F)s1	768849295	SLGNSBXYNURZGE-UHFFFAOYSA-N	315.351	1.214	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNc2ccc(C(F)(F)F)nn2)CCC1=O	765201570	SVEHUWOHPLAIBX-SFYZADRCSA-N	316.283	1.944	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)c1cnn(CC2CC2)c1	878848897	DTEAGLKHDOJJHN-UHFFFAOYSA-N	308.345	1.993	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)Cc2ccccc2F)[C@H]1C	1118877315	DLXOQUHSEKHVKE-ZVXAKGHKSA-N	308.353	1.575	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C[C@H]2CCC(=O)N2)c(C)c1	873758837	XNNPBQBUJIWXLD-LLVKDONJSA-N	320.418	1.290	50	20	DDGD	
CNC(=O)Cc1ccc(NC(=O)NCC(Cl)Cl)cc1	878160838	UMRHWWBTOQAMJV-UHFFFAOYSA-N	304.177	1.900	50	20	DDGD	
COCCCNC(=O)NN=CCCc1ccc2c(c1)CCO2	774366954	PEBFRAYEXKYZBO-UHFFFAOYSA-N	305.378	1.876	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc2c(s1)CCCC2	771846285	QGPOUHIWGAWPKR-VIFPVBQESA-N	324.402	1.730	50	20	DDGD	
CS(=O)(=O)CC1(CC(=O)NNc2ccccc2Cl)CC1	158261558	RRPXLRYIHFFAIE-UHFFFAOYSA-N	316.810	1.998	50	20	DDGD	
CC[C@H](NNC(=O)[C@H]1CCCCO1)C(=O)Nc1ccc(C)cc1	871886927	HDPQLFQKEAOGER-LSDHHAIUSA-N	319.405	1.902	50	20	DDGD	
COCCOCC(=O)NN=Cc1cnc(C2CCCC2)s1	872401973	PQSSVTGAFBXBAR-UHFFFAOYSA-N	311.407	1.914	50	20	DDGD	
COCCc1ncc(C=NNC(=O)NCC(F)(F)F)s1	872344311	JOYKXJSYMXQOQV-UHFFFAOYSA-N	310.301	1.527	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C(=O)NCC2CC2)c(C)c1	873759636	ZQQHDSCUAJEZBY-UHFFFAOYSA-N	320.418	1.147	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)c1ccc(O)nc1	771534522	HNALCSDJPOBJBO-UHFFFAOYSA-N	309.123	1.702	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1ccc(C#N)cc1)c1cccnc1	778253512	POJPLAUEOMCVSH-UHFFFAOYSA-N	308.341	1.692	50	20	DDGD	
CC(C)C(NCC(=O)NNC(=O)c1cccc(C#N)c1)C(C)C	776025689	BGFVKSNTJUFMHM-UHFFFAOYSA-N	316.405	1.589	50	20	DDGD	
Cc1cccc(NNC(=O)NCc2nnc(C3CC3)s2)n1	875672789	OAMWPGLPAASFKT-UHFFFAOYSA-N	304.379	1.945	50	20	DDGD	
Cc1nsc(NC2CC2)c1C(=O)NNC(=O)C1CCOCC1	883069919	AKNYYVIFXZEODP-UHFFFAOYSA-N	324.406	1.213	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(CCC#N)CC2CC2)c1	777594266	DJQUZBRETUELDS-UHFFFAOYSA-N	314.389	1.382	50	20	DDGD	
Cn1ncc2c1C[C@@H](C(=O)NNc1cc(F)ccc1F)CC2	885141488	FOTZIKOOXZLFKL-VIFPVBQESA-N	306.316	1.947	50	20	DDGD	
Cc1cnn(CCC(=O)NNc2ccnc(Br)c2)c1	771533988	YLBMXSYXPIRLHS-UHFFFAOYSA-N	324.182	1.882	50	20	DDGD	
C=C1CCC(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)CC1	885652397	UWUYVSRSSMLLKA-LBPRGKRZSA-N	310.394	1.858	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)NCCC(F)F)c1	1123824607	VTSUZNCSPIDBQS-UHFFFAOYSA-N	307.322	1.371	50	20	DDGD	
CCC(C)(C)NC(=S)NNC(=O)c1ccc2c(c1)OCO2	774139610	OOJFTMJZPVIWLO-UHFFFAOYSA-N	309.391	1.713	50	20	DDGD	
C[C@@]1(NC(=O)NNc2cc(F)c(F)c(F)c2)CCOC1=O	1349778418	KLRWRVZCBQKGGD-GFCCVEGCSA-N	303.240	1.436	50	20	DDGD	
C[C@@H]1[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCCO3)C1(F)F	1123484394	UHPQAERDULDQRH-HQJQHLMTSA-N	312.272	1.120	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)CN1CCC(=O)NC1=O	885125731	WXIWKVVMOHRPCE-UHFFFAOYSA-N	310.741	1.033	50	20	DDGD	
CCNC(=O)NNC(=O)CCCCCNC(=O)OC(C)(C)C	780470214	OOUIYSFCWMAVQU-UHFFFAOYSA-N	316.402	1.422	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CO[C@H](C)C2)c(C)c1	784767475	ODMGCKAEUTWQSZ-OLZOCXBDSA-N	305.378	1.288	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2cc(C)ns2)cc1	785451369	RQAIGQKGBBFBTO-UHFFFAOYSA-N	302.359	1.849	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCC(CC#N)CC2)cc1	782089758	WHRSQNMQVIARLI-UHFFFAOYSA-N	314.389	1.382	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(O[C@H]2CCOC2)cc1	788744201	XCCXGMSNZMIHQN-AWEZNQCLSA-N	321.377	1.598	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2c[nH]nc2-c2ccsc2)cn1	780226919	GWSNCQJYZWOYQO-UHFFFAOYSA-N	300.347	1.636	50	20	DDGD	
C#CCSCC(=O)NNC(=O)c1ccc(CN(CC)CC)o1	895869940	KDZGMQNTIAWKEI-UHFFFAOYSA-N	323.418	1.249	50	20	DDGD	
Cc1ccn(C)c1C(=O)OCC(=O)NNC(=O)c1cccs1	784294284	PBQPPUAGABAQCT-UHFFFAOYSA-N	321.358	1.013	50	20	DDGD	
COCc1ncsc1C(=O)NNC(=O)c1ccccc1F	785682692	SSEULTKHIDXGOJ-UHFFFAOYSA-N	309.322	1.503	50	20	DDGD	
CC(=NNC(=O)Cc1nc2ccccc2n1C)c1nccnc1C	783511505	GPWHJBOIKOCEMG-UHFFFAOYSA-N	322.372	1.755	50	20	DDGD	
Cc1cc(NNC(=O)c2cccn(CC(C)C)c2=O)ncn1	894965287	GNJRQZRZDPZITM-UHFFFAOYSA-N	301.350	1.360	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(O)ccc1Cl	785873789	SZZVLLFKLNXJRA-SSDOTTSWSA-N	314.725	1.148	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc(-c3ccncc3)on2)n1	794089285	CVTKLMBJRSNTDA-UHFFFAOYSA-N	323.312	1.515	50	20	DDGD	
COC(=O)c1occc1C=NNC(=O)c1cccc(N(C)C)c1	794751107	LMVBWOJWYPZTRL-UHFFFAOYSA-N	315.329	1.896	50	20	DDGD	
CCOC(=O)c1ccc(C=NNC(=O)c2cccc(C)n2)o1	794571711	IVHASHPBPYKEBX-UHFFFAOYSA-N	301.302	1.924	50	20	DDGD	
N#C/C(=C\c1cnn(Cc2ccccc2Cl)c1)S(N)(=O)=O	799894045	MMPBAILNEBTDTF-LFYBBSHMSA-N	322.777	1.738	50	20	DDGD	
COCCC1CCN(S(=O)(=O)CBr)CC1	704205277	ODIFYZNHCAKIFC-UHFFFAOYSA-N	300.218	1.417	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)C(=O)Nc1cccc(F)n1	793044081	ZFGRBWWVNZTNPJ-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)C2=CCCC2)cc1	794720237	MCDRPXSWGMVYNX-UHFFFAOYSA-N	309.391	1.490	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccnn1-c1ccccc1	791574584	QRWUNVZAZGNHES-UHFFFAOYSA-N	321.340	1.271	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cccc2ccccc12)C(=O)OC	790662941	QZDRNYRBHOMIKX-GFCCVEGCSA-N	314.341	1.800	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCc2nc(C)c(C)s2)n1	792969146	ZHUQGZWOBFIUFB-UHFFFAOYSA-N	319.390	1.608	50	20	DDGD	
C[S@](=O)C1(CNC(=O)NNc2cc(F)c(F)cc2F)CC1	799716139	ZEUXCSZHTDFAGX-NRFANRHFSA-N	321.324	1.641	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@@H](O)Cc1ccccc1	793477471	FQFGJMDDZWMTLK-AWEZNQCLSA-N	324.340	1.783	50	20	DDGD	
O=C(CSc1ccc(F)c(F)c1)N1CC[C@@H](B(O)O)C1	585068755	HCCGDJCSGCCHLR-MRVPVSSYSA-N	301.123	1.132	50	20	DDGD	
C#Cc1ccc(C(=O)NNc2cncc(Br)c2)nc1	1319543567	AEKIQZCKPAGXAW-UHFFFAOYSA-N	317.146	1.977	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCc2cn(C)nc2C)cc1	1318576110	FQOUIYPPVFVGSC-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
O=C(CCO)NN=C1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]12	1323611071	ZLCFNAVOXKLPKW-CVEARBPZSA-N	315.417	1.773	50	20	DDGD	
COc1cc(F)cc(NC(=O)NNC(=O)c2c[nH]nc2C)c1	1320140458	XDQMGGYFFGTZQX-UHFFFAOYSA-N	307.285	1.332	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H](C)c2nnc(C)s2)n1	1322418405	VIBLRQYFRWFUIS-MRVPVSSYSA-N	320.378	1.255	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)c2cncn2-c2ccccc2)CO1	1326070703	IKJGFDMJIVPRPB-NWDGAFQWSA-N	314.345	1.058	50	20	DDGD	
CO[C@@H]1CCN(C(=O)NNC(=O)c2cc(C)cs2)[C@@H](C)C1	1329192300	FHYRJDYCOYRBTG-WDEREUQCSA-N	311.407	1.910	50	20	DDGD	
O=C(NNC(=O)c1ncc(Cl)s1)OCC(F)(F)F	1329417715	YCBBVOBQDASUIK-UHFFFAOYSA-N	303.649	1.730	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)c2ccccc2C)c(C)n1	1336827103	QRXTVNFJPMHBEB-UHFFFAOYSA-N	300.362	1.985	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(Cl)ncc1C	1334952754	RRBJUWMRJAERON-UHFFFAOYSA-N	300.746	1.024	50	20	DDGD	
O=C(CCn1cnnn1)NNc1ccc(C(F)(F)F)cc1	1334917951	FZSITHBUJZDNAU-UHFFFAOYSA-N	300.244	1.225	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@]2(C)CCOC2)c1	1330312765	NGHSCMQEILGNJB-OAHLLOKOSA-N	303.387	1.412	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)c1cncn1-c1ccccc1	1330284814	CCOXRYTXUQSINF-UHFFFAOYSA-N	316.361	1.448	50	20	DDGD	
C[C@H](C(=O)NNc1ccn(C)n1)N(C(=O)OC(C)(C)C)C1CC1	1331512497	HGEBQHJMRXAXEY-SNVBAGLBSA-N	323.397	1.651	50	20	DDGD	
CN(C)c1ncccc1C=NNC(=O)c1ccc2c(c1)OCO2	1342840665	ICNJPRPGLGURRS-UHFFFAOYSA-N	312.329	1.640	50	20	DDGD	
O=C(NCC1CCS(=O)(=O)CC1)C1CCC(Cl)CC1	1263770823	POLMNZFEUDGZLO-UHFFFAOYSA-N	307.843	1.725	50	20	DDGD	
C=C1CCC(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CC1	1353871609	FRRPZLRGXCULFV-UHFFFAOYSA-N	302.378	1.796	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)c(Cl)c1)c1ccnc(O)c1	1601554703	KCRVPMYCHPYPHH-UHFFFAOYSA-N	307.693	1.896	50	20	DDGD	
O=C(O)CC1CC(NC(=O)NNc2cccc([N+](=O)[O-])c2)C1	1601943523	NTEIJQAYSGNNQM-UHFFFAOYSA-N	308.294	1.474	50	20	DDGD	
Cn1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)c(Cl)c2)n1	1606247309	QZYKJFWYXDFEMI-UHFFFAOYSA-N	318.728	1.011	50	20	DDGD	
Cc1cc(NC(=O)NNc2cccc(F)n2)ncc1C(=O)O	1600271375	CBYJCDQVPYFNTB-UHFFFAOYSA-N	305.269	1.771	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1snnc1C	1607140990	HWOVAAWNUSMMIW-UHFFFAOYSA-N	308.319	1.310	50	20	DDGD	
O=C(NN=CCC1CCOCC1)c1ccc(-c2nn[nH]n2)cc1	1609557614	YSWIGVTVSKYDDW-UHFFFAOYSA-N	314.349	1.399	50	20	DDGD	
CSCCC(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1607395837	VNRHDMVAIWJECT-UHFFFAOYSA-N	303.409	1.333	50	20	DDGD	
C[C@H]1CSC[C@@H]1NC(=O)NNc1ccc(C(=O)O)cc1F	1604823026	HITBTTZPAQLOST-CPCISQLKSA-N	313.354	1.902	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCCCC(=O)O)cc1OC	1610312773	KDEKGKPICMCQOM-UHFFFAOYSA-N	324.333	1.110	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)c2ccccc21	1549320292	LPIKGWFPJFNFOJ-PBFPGSCMSA-N	313.401	1.877	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C(=O)Nc1sccc1C(=O)O	1610700898	WMYWHRPYDCRNIV-UHFFFAOYSA-N	324.293	1.062	50	20	DDGD	
C/C=C(/C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2	1800470452	PXESKPSCHJTJEH-JCCYUTAASA-N	318.776	1.077	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@]2(C)CCCNC2)cc1	1578820829	KRAKGWVGZUEDGC-INIZCTEOSA-N	305.378	1.235	50	20	DDGD	
COc1cccc([C@H](C)CCCC(=O)NNC(=O)NCCN)c1	1579259317	OLKNGMNGAJRPOD-GFCCVEGCSA-N	322.409	1.258	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C[C@@H]1CCC[C@H]1N	1578276993	LQUAPJZHQVDAQT-UONOGXRCSA-N	319.405	1.293	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@H]2NCCc3ccccc32)cn1	1579959248	PKIGQMJLBMDBOU-YBYKNVHQSA-N	321.384	1.330	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@@H](N)CC3CC3)cc2C1	1576758397	JWMICMUZSFTLMK-SKDRFNHKSA-N	321.446	1.761	50	20	DDGD	
CC[C@H](C)[C@@H](N)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1842892028	SSDZEFUBXHYJEJ-HBNTYKKESA-N	319.808	1.098	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)C12CCC(CC1)N2	1580579006	QKWKWBBMMKXHEY-UHFFFAOYSA-N	312.373	1.073	50	20	DDGD	
O=C(CC1(O)CCNCC1)NNc1ccc(OC(F)F)cc1	1580500719	JBDRIXJTVGLJNK-UHFFFAOYSA-N	315.320	1.236	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2CC[C@H]2C(=O)O)cc1	1597081509	KTJRNYRNQPWFKC-NZETUCKYSA-N	314.341	1.972	50	20	DDGD	
COc1ccc(NNC(=O)COCc2ocnc2C(=O)O)cc1	1599597549	YMSXIFHDHJPRIF-UHFFFAOYSA-N	321.289	1.041	50	20	DDGD	
C[C@H](OC(=O)/C(C#N)=C/c1cnn(C)c1)c1ccc(C(=O)O)o1	1593480380	ASJVJRAPYKLBJN-WUFUFFIZSA-N	315.285	1.923	50	20	DDGD	
O=C(Cc1ccccc1O)NNC(=O)c1ccc(C(=O)O)cc1	1594711070	HHCAWEVZUXGMJQ-UHFFFAOYSA-N	314.297	1.094	50	20	DDGD	
Cc1cc(NC(=O)NNc2ncccn2)cc(-c2nn[nH]n2)c1	1592027916	BBLORWXQXBBLKG-UHFFFAOYSA-N	311.309	1.114	50	20	DDGD	
COc1ccc(OCC(=O)NN=C2CC[C@H](C(=O)O)C2)cc1	1599604743	RKDMJDHVEXAWBF-JTQLQIEISA-N	306.318	1.431	50	20	DDGD	
C[C@]1(C(=O)N[C@H]2CC[C@@H](CC(=O)O)C2)C[C@@H]1Br	1593758547	QLTCTGWCGWJJSD-ARHDFHRDSA-N	304.184	1.920	50	20	DDGD	
O=C(Cc1ccccc1O)NN=Cc1sccc1C(=O)O	1776094499	WNRGUCYXBMPSGH-UHFFFAOYSA-N	304.327	1.845	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1ccc(Cl)nc1	13230212	GZZDRGRYEQOXPU-UHFFFAOYSA-N	319.752	1.412	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=S)Nc2ccccn2)cc1	161785242	BPYMEQWMVFEBKU-UHFFFAOYSA-N	316.386	1.787	50	20	DDGD	
O=C(NNC(=O)C(C1CC1)C1CC1)c1cccc([N+](=O)[O-])c1	162680183	OANHBXGMYSLLGZ-UHFFFAOYSA-N	303.318	1.792	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)CSc1nnnn1C1CC1	160719620	HORJCCCEUHYYCV-UHFFFAOYSA-N	322.369	1.691	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(F)cc1OCC(F)(F)F	163462775	FRNQDURMXQYSHV-UHFFFAOYSA-N	309.219	1.939	50	20	DDGD	
O=C(CCNS(=O)(=O)CCCCCl)N1CCCCC1	163468208	BXBHBNZHEMIUCY-UHFFFAOYSA-N	310.847	1.327	50	20	DDGD	
CCC(CC)n1nccc1C(=O)NNC(=O)Cc1ccncc1	151136427	KTFMJFZGOBCYLV-UHFFFAOYSA-N	315.377	1.643	50	20	DDGD	
CC(C)C[C@H](C)CC(=O)NNC(=O)C(=O)Nc1ccccn1	152147954	NAQUBMNSGBDMPZ-NSHDSACASA-N	306.366	1.240	50	20	DDGD	
Cn1c(C(=O)NNc2ccc(-c3ccccc3)nn2)cccc1=O	153055742	AYTKOWTXMJPJPZ-UHFFFAOYSA-N	321.340	1.599	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc(Cl)c(Cl)c1	155404010	OFYYNRFDBNCUPH-UHFFFAOYSA-N	305.165	1.708	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)C=C1CCC(C(C)(C)C)CC1	157452683	WPEWCJYYWLXWRE-UHFFFAOYSA-N	323.437	1.821	50	20	DDGD	
O=C(NNc1cccc(F)c1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1	154837781	YYVVMZDPVCXNRF-SECBINFHSA-N	303.297	1.045	50	20	DDGD	
CC(C)(C)CCC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1	154865652	ZHEZRTWLFCDUCK-UHFFFAOYSA-N	316.365	1.250	50	20	DDGD	
COCCn1ccc(NC(=O)NNc2c(F)cccc2F)n1	159109892	CEHHSJMLRSXNGJ-UHFFFAOYSA-N	311.292	1.956	50	20	DDGD	
O=S(=O)(CCCCl)N1CCN(c2ccccc2O)CC1	37842425	IMOVRZRIOWFJDQ-UHFFFAOYSA-N	318.826	1.473	50	20	DDGD	
Cc1cc(C)cc([C@@H](C)NC(=O)NNC(=O)[C@@H]2CCCO2)c1	107394104	VRWCFUICYFZDML-OCCSQVGLSA-N	305.378	1.874	50	20	DDGD	
N#Cc1ccc(C(=O)NCC(=O)NNc2ccccc2F)cc1	119956855	UWBZXFZYQKSMGR-UHFFFAOYSA-N	312.304	1.570	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CCCN2Cc2ccccc2)ncn1	172271587	RKSTZKYMMQQSJZ-HNNXBMFYSA-N	311.389	1.893	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc([S@](C)=O)cc2)n1	174488059	VYOUTWRHZUJNCR-QFIPXVFZSA-N	320.374	1.288	50	20	DDGD	
C[C@@H](CSc1ccccc1)C(=O)NNC(=O)c1cnn(C)c1	117681624	IQUOCQYFAHBOGN-NSHDSACASA-N	318.402	1.610	50	20	DDGD	
O=C(CN1CSCC1=O)NNc1cccc2c1CCCC2	119937251	DGNDPNHXMXMVCX-UHFFFAOYSA-N	305.403	1.541	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)c2cnn(C)c2)s1	172081630	CEEOXKRSLRCUGE-UHFFFAOYSA-N	307.379	1.212	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1cc(F)c(F)c(F)c1	175513966	MHQNHFDREXMEJV-QMMMGPOBSA-N	306.284	1.989	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@H]2CCCO2)cc1	27740454	DCJYHSMJYZTJSH-SMDDNHRTSA-N	322.361	1.179	50	20	DDGD	
Cc1ccc(C(=O)NCCC(=O)NNc2ccccc2)c(O)c1	111553125	SBPKRJSLERGZOX-UHFFFAOYSA-N	313.357	1.964	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@H]1CCOC1	66959490	OGDWUCKABUXWJZ-LBPRGKRZSA-N	307.419	1.912	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1cc2cc(F)ccc2o1	173940426	KTZPBGVFMMQZGF-UHFFFAOYSA-N	312.264	1.995	50	20	DDGD	
COc1ccc2c(c1)OC[C@H](C(=O)NNC(=O)OC(C)(C)C)C2	64479609	YQKADLFONCOHRH-LLVKDONJSA-N	322.361	1.802	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)c2ccccn2)cc1F	27694024	FSTFEABTKPIWKY-UHFFFAOYSA-N	303.293	1.233	50	20	DDGD	
Cc1nn(C)cc1C(=O)NNC(=O)c1cccc2ncccc12	113179946	UKIHSNHRZFISJF-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)c2ccccc2O)cc1F	31727746	NBMYWLKWVQLRLF-UHFFFAOYSA-N	317.320	1.984	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=S)N[C@H](C)C2CC2)cn1	175537325	VAYDOBRGZRCIBG-SECBINFHSA-N	308.407	1.388	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2cc(F)c(F)c(F)c2)nc1	175498729	JVSISKHXOXTWIL-UHFFFAOYSA-N	310.235	1.355	50	20	DDGD	
Cc1noc(C)c1C(=O)NNC(=O)NCCc1cccs1	65202630	VBPNVBRNOUTLTB-UHFFFAOYSA-N	308.363	1.540	50	20	DDGD	
CNS(=O)(=O)c1ccc(C)c(C(=O)NNc2ccccn2)c1	181160161	JZRRAUPHVUZDDK-UHFFFAOYSA-N	320.374	1.055	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1cc(-c2ccncc2)on1	127081925	LCWMMRKJSRMHGY-UHFFFAOYSA-N	324.296	1.517	50	20	DDGD	
CC(=O)Nc1ccc(C)c(C(=O)NNC(=O)c2cccn2C)c1	187274890	YUINJLJXXYUNPO-UHFFFAOYSA-N	314.345	1.367	50	20	DDGD	
COc1nccnc1NNC(=O)Cn1c(C)nc2ccccc21	184366752	RJPKGKILEDHOAE-UHFFFAOYSA-N	312.333	1.287	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NNC(=O)Cc1cccnc1	120618479	OYISKKAAJWKLEL-STQMWFEESA-N	315.398	1.945	50	20	DDGD	
COc1ccc(F)cc1CC(=O)NNc1ncnc2nc[nH]c12	185560356	MCOLPTGIAYHASO-UHFFFAOYSA-N	316.296	1.186	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H](C)OC[C@@H]1CCCO1	70780940	JDWJGHGPKPWWBA-STQMWFEESA-N	306.362	1.340	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1cccc2[nH]ccc12	184495903	TWPZOCUUSJBZRR-UHFFFAOYSA-N	302.334	1.300	50	20	DDGD	
CCCCS[C@H](C)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	79796931	NXFUBCGAWNWYGH-NEPJUHHUSA-N	322.496	1.401	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC(C)(CO)CC1	183647518	YGVPUAQAICNADZ-UHFFFAOYSA-N	313.829	1.973	50	20	DDGD	
COc1nccnc1NNC(=O)COc1c(C)cc(C)cc1C	184366154	PBGNOVNYCBSFEF-UHFFFAOYSA-N	316.361	1.933	50	20	DDGD	
CS[C@H](C)CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	130006252	MQNHLTPDIFGHKX-ASOMJZDJSA-N	302.403	1.980	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](C)c2cn(C)nc2C)o1	84157005	JUDAJUMKLUNMQI-SECBINFHSA-N	305.338	1.335	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCC1(N(C)C)CCCC1	43147581	RRKZUJFZDVUOBF-UHFFFAOYSA-N	318.421	1.813	50	20	DDGD	
CC(=O)Nc1cccc(CNC(=O)NNC(=O)OC(C)(C)C)c1	45617517	NHHYAJLGPNLLTN-UHFFFAOYSA-N	322.365	1.884	50	20	DDGD	
Cc1ccn(CC(=O)NNc2ccccc2[N+](=O)[O-])c(=O)c1	194361695	ZLVTVSUSZIPXRL-UHFFFAOYSA-N	302.290	1.208	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](C)[C@@H](N)c2ccccc2)n1	237305436	SYFCFCFJPIKRAB-BXUZGUMPSA-N	315.377	1.573	50	20	DDGD	
O=S(=O)(NCCNC1CC1)c1ccc(CCCCl)cc1	237801435	LAOBPQKVKWIHQB-UHFFFAOYSA-N	316.854	1.888	50	20	DDGD	
CN([C@H](CO)c1ccccc1)S(=O)(=O)CBr	295593212	WRVRTAPONLSJAB-SNVBAGLBSA-N	308.197	1.334	50	20	DDGD	
C[C@@H]1CCC[C@H](NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)CC1	249026410	AMXBMWCDYNMAGG-DYEKYZERSA-N	317.455	1.336	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)c2ccn(C)c2)cc1OC	268600954	PBPUSBYDSMMLAN-UHFFFAOYSA-N	317.345	1.507	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2C[C@@](C)(OC)C2(C)C)n1	266782251	XYXXMAMAHMDNHO-LKFCYVNXSA-N	309.370	1.315	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H](C(=O)NNC(=O)OC(C)(C)C)C2	360002860	YQKADLFONCOHRH-NSHDSACASA-N	322.361	1.802	50	20	DDGD	
Cc1nn(CC(F)(F)F)cc1C(=O)NNC(=O)OC(C)(C)C	268550895	CCGQCVHBZUWEOO-UHFFFAOYSA-N	322.287	1.923	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1	279485171	OPYWEQVXSALFCA-NSHDSACASA-N	315.295	1.332	50	20	DDGD	
C#C[C@@H](C)NC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	274810129	OPQLAWOYJYWKFK-VHSXEESVSA-N	305.403	1.839	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H]1CCN(c2cccc(OC)c2)C1	271963468	UWMOOWACZVOLNQ-FNDVETGQSA-N	315.373	1.834	50	20	DDGD	
C[C@H]1C(=O)CC[C@H](C(=O)NNC(=O)c2cccn2C)C1(C)C	275539863	SEYGOCJPYHVTFR-WDEREUQCSA-N	305.378	1.428	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCOC[C@H]1[C@@H]1CCCO1	375660339	MEYIXBQIJBMUHP-RYUDHWBXSA-N	311.831	1.215	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	282521210	LAKQSNYOPUESJF-OXIWPEFWSA-N	324.352	1.554	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Nc1ccccc1C	284077055	RHFYVNHFPWHQQE-UHFFFAOYSA-N	309.366	1.937	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H]1C[C@@H](c2ccccc2)OC1=O	289320829	TVEBWOBPWQSPEP-NEPJUHHUSA-N	304.346	1.484	50	20	DDGD	
CC1(CCNC(=O)NNC(=O)COCc2ccccc2)CC1	280397042	NVBJAFOTFGUHAM-UHFFFAOYSA-N	305.378	1.724	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc2ccc(OC)cc2nc1C	286514782	XDHRCGJDBGGYGV-UHFFFAOYSA-N	303.318	1.895	50	20	DDGD	
Cc1cccc2cc(C(=O)NNC(=O)C(=O)NC(C)C)sc12	289809138	RZRKNCSRNZVNKU-UHFFFAOYSA-N	319.386	1.495	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H](CC2CCC2)NC(C)=O)n1	280317705	ROEPLEOALNWSTL-GFCCVEGCSA-N	306.366	1.228	50	20	DDGD	
Cc1ccc2c(c1)CC[C@@H](C(=O)NNC(=O)c1cccn1C)O2	280084325	AGIDAGRKNCIGMP-HNNXBMFYSA-N	313.357	1.488	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H]2CCn3c(cnc3C)C2)n1	290168463	XRECAXPFDUKVKL-JTQLQIEISA-N	320.784	1.649	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1O	299287940	YMOLSNJTHZBOJC-VIFPVBQESA-N	312.753	1.788	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccc(F)cn2)cc1	802059780	SMXWHMMVDFKSLQ-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
O=C(NC[C@@H](c1ccco1)N1CCCC1)NNc1ccncn1	296408070	UWQDXNUVXYLMOO-LBPRGKRZSA-N	316.365	1.533	50	20	DDGD	
Cc1csc(C(=O)NNc2nccc(N3CCOCC3)n2)c1	295017807	RHEGIZWMRGCIPW-UHFFFAOYSA-N	319.390	1.440	50	20	DDGD	
COCCOc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	294321908	SBDCEGHJRGWWPY-FZMZJTMJSA-N	322.361	1.040	50	20	DDGD	
CCC[C@H](OC)C(=O)NNc1nnc(-c2ccccn2)s1	295543507	WJNQHMSMWKEBCH-JTQLQIEISA-N	307.379	1.858	50	20	DDGD	
CCc1cccc(NC(=O)CNC(=O)NNC(=O)CC(C)C)c1	299535556	UFDXQDWCYOKJOW-UHFFFAOYSA-N	320.393	1.564	50	20	DDGD	
CCc1ccccc1CNC(=O)NNC(=O)[C@@H]1CCCCO1	296224645	AZPAKTMMXXFMBD-AWEZNQCLSA-N	305.378	1.649	50	20	DDGD	
COc1ncccc1CCNC(=O)NNC(=O)CC(C)(C)C	291095884	ZHIROHRARZHWQG-UHFFFAOYSA-N	308.382	1.399	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cnn(C(C)C)c2)cc1	802059171	SIWCPQXMCMAZHX-UHFFFAOYSA-N	317.349	1.939	50	20	DDGD	
COCCN(C)NC(=O)[C@@H](C)Cc1cnc2ccccc2n1	297175170	UCELXHRJUSGGBC-LBPRGKRZSA-N	302.378	1.418	50	20	DDGD	
Cc1nc(C(C)C)oc1C(=O)NNC(=O)CNc1ccccc1	294910542	AGJTXFJIEVUFIW-UHFFFAOYSA-N	316.361	1.980	50	20	DDGD	
O=C(CCc1ncc[nH]1)NNC(=O)c1cc2ccccc2cc1O	806346161	QLGDHZLZPFSVII-UHFFFAOYSA-N	324.340	1.662	50	20	DDGD	
Cc1cc(NNC(=O)c2cc3ccccc3c(=O)n2C)ncn1	806863350	GOIKLZDSDCFJPA-UHFFFAOYSA-N	309.329	1.394	50	20	DDGD	
CCN(CC)c1ccc(C=NNC(=O)c2ccnnc2)c(O)c1	817343130	ZOEDUNXKDXSIKJ-UHFFFAOYSA-N	313.361	1.792	50	20	DDGD	
COc1ccc(NC(=O)NN=CC2(OC)CCOCC2)cc1	815000649	ZQDYHUXKWZCGRP-UHFFFAOYSA-N	307.350	1.998	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1cccc(CO)c1	813448690	RDGIBUOOPGMLCR-UHFFFAOYSA-N	311.301	1.381	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1cc(F)ccc1Br	816631921	LZHDJKHVUVPNEP-UHFFFAOYSA-N	300.091	1.463	50	20	DDGD	
CC(C)n1cncc1C=NNC(=O)Cn1cnc2ccccc21	819805726	CQANINIHOOGKBU-UHFFFAOYSA-N	310.361	1.964	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cccc(C#N)c1)CC(C)(C)C	812890223	AMOJFCMJEFELMI-UHFFFAOYSA-N	316.405	1.687	50	20	DDGD	
CC(C)Oc1ccccc1CC(=O)NNC(=O)c1ccnnc1	817694247	WBBVQOZZFMIMGT-UHFFFAOYSA-N	314.345	1.268	50	20	DDGD	
Cc1ccc(C2(C(=O)NNc3nnc(C)c(O)n3)CCC2)cc1	819839942	VRNNPZISOKVULX-UHFFFAOYSA-N	313.361	1.759	50	20	DDGD	
O=C(CCc1ncccn1)NNc1ccc(C(F)(F)F)nn1	812540520	YCHWZDMTLMANPU-UHFFFAOYSA-N	312.255	1.361	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)[C@H]1CCc2nncn2C1	815856381	JTANJIFYEXVFSN-ZETCQYMHSA-N	311.267	1.401	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2cnc(C)nc2C)ccc1C	816687665	JNELXMPQTCBJAN-UHFFFAOYSA-N	314.345	1.945	50	20	DDGD	
C=C(CBr)CN[C@H](C1CC1)[C@@]1(CO)CCCO1	815289767	JWKWHUDLGLVEGY-OLZOCXBDSA-N	304.228	1.847	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2cccc(Cl)n2)cc1	815726835	WKALINNKJOSCJE-UHFFFAOYSA-N	320.736	1.825	50	20	DDGD	
O=C(NNc1ncncc1F)c1ncccc1Br	817081192	VTTPFAVGFQXKOU-UHFFFAOYSA-N	312.102	1.530	50	20	DDGD	
CC(C)(C)c1n[nH]cc1C(=O)NNC(=O)c1cccc(C#N)c1	815399020	FEJCTZYGGDSKTE-UHFFFAOYSA-N	311.345	1.654	50	20	DDGD	
Cc1nccn1CCCC(=O)NNC(=O)NC1CCCCC1	727646099	IJOAZNZZYSIRJU-UHFFFAOYSA-N	307.398	1.635	50	20	DDGD	
COc1ccc2c(c1OC)OCC2=NNC(=O)c1cc(C)[nH]n1	814876303	RMDIMGDRZBJGJL-UHFFFAOYSA-N	316.317	1.262	50	20	DDGD	
O=C(NN=Cc1c(Cl)nc2ccccn12)c1cnccn1	818286405	TXVCIMBQDQQNOB-UHFFFAOYSA-N	300.709	1.542	50	20	DDGD	
CCC(=O)N1CCC[C@H](C(=O)NNc2ccc(F)cc2OC)C1	816337776	HXJBKIMIPTWTQK-NSHDSACASA-N	323.368	1.926	50	20	DDGD	
CCC1(CC)C(=O)NCCC1=NNC(=O)Cc1nc(C)cs1	819803059	GNVARWAMHDZANY-UHFFFAOYSA-N	322.434	1.793	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(-n2nc(C)cc2C)c(F)c1	823860091	JUDRBXUBQGYJIA-UHFFFAOYSA-N	320.368	1.587	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)C2(Br)CC2)c1	821473964	CBWDLZYBNMGJHZ-UHFFFAOYSA-N	315.558	1.977	50	20	DDGD	
CCCN(NC(=O)c1cc(=O)n(C)cn1)C(=O)OC(C)(C)C	822884955	BFICMAPIGDSUEK-UHFFFAOYSA-N	310.354	1.072	50	20	DDGD	
C[C@@H](COCC(F)(F)F)NC(=O)NNC(=O)CC(C)(C)C	728596283	CIBINFXIYRXSGS-QMMMGPOBSA-N	313.320	1.720	50	20	DDGD	
COC(=O)C1CCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)CC1	490906277	CEEOBOSCJZBWID-GXDHUFHOSA-N	314.341	1.711	50	20	DDGD	
CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NNC(=O)C1CC1	490869759	UJDAXPGSDPCWID-NSHDSACASA-N	311.382	1.333	50	20	DDGD	
CCCNC(=O)NNC(=O)C[C@H](c1ccccc1)c1ncc[nH]1	823945699	TWCKZTSJHOBDJK-CYBMUJFWSA-N	315.377	1.672	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCc2n[nH]cc21	826448015	FCGOGLBURQNERX-NSHDSACASA-N	324.348	1.153	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)OCCc2ccccc2)ncn1	825854143	HGGXLPNFFUWMCP-CYBMUJFWSA-N	300.362	1.876	50	20	DDGD	
COC(=O)Nc1cccc(C(=O)NNC(=O)c2ccc[nH]2)c1	491110799	BAJRSZDIEXUOAV-UHFFFAOYSA-N	302.290	1.268	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1	496361409	KXTDQRQUICHLRW-NEPJUHHUSA-N	311.382	1.145	50	20	DDGD	
OB(O)c1cccc(CNc2ccccc2O[C@@H]2CCOC2)c1	585012082	LPIPTMATLWTEOD-OAHLLOKOSA-N	313.162	1.146	50	20	DDGD	
O=S(=O)(CCl)NCC1(c2ccccc2)CCOCC1	829962757	RBOBLOCDBCKIJR-UHFFFAOYSA-N	303.811	1.851	50	20	DDGD	
C[C@H](OCCc1ccccc1)C(=O)NNC(=O)NCC1CC1	822785945	IVCCOEOHVAZXOW-LBPRGKRZSA-N	305.378	1.375	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)Nc2ccc(Cl)cc2)CCNC1=O	822759896	ACIIDKNHJTYRDU-CYBMUJFWSA-N	310.741	1.019	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cccc(Oc2ccncc2)c1	823959769	PDLMYWWWYOXHOP-GFCCVEGCSA-N	301.346	1.831	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccc(F)cc2)[C@H]2CCCC[C@H]2N1	820682473	OHLKCCGVQJFZAS-HZSPNIEDSA-N	305.353	1.964	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)C2CC2)CC1)c1cccc(Cl)c1	822198470	VPTRPKBJJKAZIJ-UHFFFAOYSA-N	306.749	1.860	50	20	DDGD	
C=C(C)COc1cccc(NC(=O)C(=O)NNC(=O)OCC)c1	495366810	ITGUVDILONMILW-UHFFFAOYSA-N	321.333	1.357	50	20	DDGD	
O=C(c1cc(Cl)cc2cccnc12)N1CC[C@@H](B(O)O)C1	585068491	BOIJDHLYBRALHU-SNVBAGLBSA-N	304.542	1.577	50	20	DDGD	
CN1CCC(CNC(=S)NNC(=O)OC(C)(C)C)CC1	495428920	BYNNZGSKFBLFNG-UHFFFAOYSA-N	302.444	1.232	50	20	DDGD	
OB(O)c1ccc(CNc2ccccc2O[C@@H]2CCOC2)cc1	585011764	FBWUZYXYMCDSED-OAHLLOKOSA-N	313.162	1.146	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1ccc(C(F)(F)F)cn1	905439147	HFDRJOLEBUEKNL-UHFFFAOYSA-N	316.283	1.866	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)o1	585039072	OFTBXEGRKTVHFI-TZMCWYRMSA-N	303.142	1.524	50	20	DDGD	
C[C@@H]1OC(=O)N[C@H]1C(=O)NNc1ccc(OC(F)F)cc1	496765711	YQFGEPKRHJEFLF-IMTBSYHQSA-N	301.249	1.228	50	20	DDGD	
Cc1cccc(C[C@H](NC(=O)c2cccc(B(O)O)c2)C2CC2)c1	584948933	CLIHRMMRBMGDOR-SFHVURJKSA-N	323.201	1.426	50	20	DDGD	
O=C(/C=C/c1ccccc1C(F)(F)F)N1CC[C@H](B(O)O)C1	585067419	SFEZLEFUTAZTKU-QRGHLMKCSA-N	313.084	1.794	50	20	DDGD	
OB(O)c1ccc(CNCC2(c3cccs3)CCCC2)o1	585021325	STSWHNWKZSSITK-UHFFFAOYSA-N	305.208	1.623	50	20	DDGD	
COCC(COC)NC(=O)NNc1ccc(C)cc1Cl	838676029	MBKZATZUZUHVIM-UHFFFAOYSA-N	301.774	1.936	50	20	DDGD	
O=C(Cc1cccnc1)NNc1ccc(Br)nc1	732837241	BXGHXELJTUVMOH-UHFFFAOYSA-N	307.151	1.925	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC(C)(C)C#N)c1F	838543200	QWMNIESJCURNMB-UHFFFAOYSA-N	308.313	1.788	50	20	DDGD	
CCc1nn(C)c(Cl)c1C=NNC(=O)c1ccc(N)cc1	734744381	OYCXYGNTEXGHTM-UHFFFAOYSA-N	305.769	1.982	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC[C@@H]2C[C@H]2C(C)C)n1	838681141	GRXBJTFGPKFSAU-STQMWFEESA-N	307.398	1.122	50	20	DDGD	
C[C@]1(CCNC(=O)NNC(=O)c2ccc[nH]2)CC1(Cl)Cl	838682351	PUAGLYZYMCYYOS-NSHDSACASA-N	319.192	1.933	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1CSC(c2ccccc2)=N1	900382752	IGSNJCMTGKSQIM-LBPRGKRZSA-N	320.418	1.679	50	20	DDGD	
CCOCCCNC(=O)NNc1ccc(C(=O)OC)cc1F	837326987	OFUDWOSNYGVOEK-UHFFFAOYSA-N	313.329	1.665	50	20	DDGD	
CC1CCN(C2CCC(NCc3ccc(B(O)O)o3)CC2)CC1	585030302	RGJJWIRPZRRLTJ-UHFFFAOYSA-N	320.242	1.092	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCOC[C@@H]1c1ccco1	735078724	QWXPBTCWIPXIMK-QWHCGFSZSA-N	323.393	1.235	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2)c1c[nH]c2ccccc12	837316107	HFUVFDUHGYBULM-WCQGTBRESA-N	311.341	1.544	50	20	DDGD	
COc1cccc([C@@H]2C[C@H]2NC(=O)NNC(=O)C2CCC2)c1	836637966	WTEMOBGPSCFYGF-UONOGXRCSA-N	303.362	1.682	50	20	DDGD	
CON(C)C(=O)CCC(C)=NNC(=O)COc1ccc(C)cc1	834926845	FCGHKGQDPJKFTK-UHFFFAOYSA-N	321.377	1.666	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1ccc(F)cc1OC(F)F	833384822	NCNGRABFJQFLBX-UHFFFAOYSA-N	319.239	1.535	50	20	DDGD	
O=C(Cc1ccc(-n2cccc2)cc1)NNC(=O)c1ccncc1	914747470	NIUHLVPGEBPZAN-UHFFFAOYSA-N	320.352	1.876	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNc1cccc(C(=O)OC)c1	838675441	JVWZKUIIFCDZTC-OLZOCXBDSA-N	305.334	1.443	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1cncnc1C1CC1	836553853	BZEBMHKDOIYFMF-UHFFFAOYSA-N	310.357	1.748	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@H](C)c2ccco2)c1	743295657	QFIYIANSHNVOHH-LLVKDONJSA-N	317.345	1.651	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NCC2CCCCCC2)n1	838667484	FFCWYRJKLFNBGV-UHFFFAOYSA-N	321.425	1.801	50	20	DDGD	
Cc1nn(C)c2ncc(C=NNC(=O)c3ccc(C#N)cc3)cc12	747615282	SPOGFNJMYWWTFK-UHFFFAOYSA-N	318.340	1.912	50	20	DDGD	
Cc1n[nH]cc1CNC(=O)NNC(=O)c1cccc(Cl)c1	916578820	XEWUVXYNILTSMO-UHFFFAOYSA-N	307.741	1.516	50	20	DDGD	
CO[C@@H](CS(=O)(=O)NNC(=O)C(C)(C)C)C1CCCCC1	849303735	JIJDVXRQACIFNR-LBPRGKRZSA-N	320.455	1.578	50	20	DDGD	
Cc1cc(C(=O)NN(C)C[C@@H](C)O)cc(C)c1OC(F)F	910168508	UBRYPGJMDAQHCY-SNVBAGLBSA-N	302.321	1.862	50	20	DDGD	
CCOC(=O)[C@H](Cc1ccccc1)NNC(=O)[C@H]1CCO[C@H]1C	843289489	SAYCULDBSFTPAB-QEJZJMRPSA-N	320.389	1.207	50	20	DDGD	
COc1csc(C(=O)NNC(=O)c2cccc(OC)c2O)c1	746884583	LQHQTMKPFBXCQF-UHFFFAOYSA-N	322.342	1.546	50	20	DDGD	
CCOc1cc(C=NNC(=O)C(=O)NC(C)C)ccc1OC	744812938	XECUAQPXLTUEFA-UHFFFAOYSA-N	307.350	1.069	50	20	DDGD	
NC(=O)c1nccnc1C(=O)NNc1ccc(Cl)c(F)c1	748898998	QINMLMIOJIHXOT-UHFFFAOYSA-N	309.688	1.125	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@H]1CCc2c(O)cccc21	745865585	XSLQRDOQEIXPPU-VIFPVBQESA-N	317.267	1.662	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)Cc1c[nH]c2ccccc12	916133530	WKGPTYULNIYIKU-GXTWGEPZSA-N	301.346	1.283	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cc1ccc(Cl)s1	843655253	MAAQQKJDHDOKIN-VXNVDRBHSA-N	302.783	1.516	50	20	DDGD	
CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NN	841869136	YOFCXGWPTLONFO-GMSGAONNSA-N	302.172	1.698	50	20	DDGD	
Cc1cccc(CSCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	843648738	RIUSLEPXVZPLHG-GXTWGEPZSA-N	322.430	1.801	50	20	DDGD	
O=C(NC[C@H]1CCCCN1)NNc1ncnc2ccsc12	841921934	SFBHONGFZCUJOI-SECBINFHSA-N	306.395	1.460	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CCCC(=O)N2C)c1C	912451314	IRUJSEJDBCTRGC-ZDUSSCGKSA-N	319.361	1.236	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CC[C@@H](CF)C2)cc(C#N)n1C	916123565	QAOOQDKBNQAEDZ-GZSLWQHSSA-N	300.337	1.930	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C[C@H]2CCC(=O)[C@H]2C)cc1	846375756	JKLPZJVHTAFSEM-WCQYABFASA-N	318.373	1.851	50	20	DDGD	
Cc1cc(F)ccc1-n1ccc(C(=O)NN(C)C[C@@H](C)O)n1	910151228	ASILUBQBQFAPJD-LLVKDONJSA-N	306.341	1.277	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccccc1OC1CC1	843659246	XDMMNZHZVPXJOK-PWSUYJOCSA-N	304.346	1.414	50	20	DDGD	
COCCNCCNC(=O)NNc1ccc(OC(F)F)cc1	841967756	HSAGFCRQEWKNLD-UHFFFAOYSA-N	318.324	1.150	50	20	DDGD	
O=C(CC1CCCC1)NCC(=O)NNc1cccc([N+](=O)[O-])c1	748001689	CKDKSUIUFHJKGK-UHFFFAOYSA-N	320.349	1.734	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CN2CCCC(F)(F)C2)c1	844376960	GXMYBLNIFTUIFA-UHFFFAOYSA-N	322.315	1.050	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCC[C@@H]2c2ncccn2)cn1	912646052	DMAMOUXVJFFZML-MAUPQMMJSA-N	308.345	1.481	50	20	DDGD	
C[C@H]1CCCC[C@H]1CCNC(=O)NNC(=O)c1ncccn1	841584986	TZJQGBGTUAZWRO-RYUDHWBXSA-N	305.382	1.637	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@@H]1CCCNCC1)c1ccccc1	841977747	JCGQVWMOJFJIMF-CABCVRRESA-N	318.421	1.653	50	20	DDGD	
CC(C)CC(CC(C)C)=NNC(=O)Cc1cc(O)nc(O)n1	743446412	WYFSZSYBTHACBH-UHFFFAOYSA-N	308.382	1.995	50	20	DDGD	
C[C@H](N)CNC(=O)NNc1c(F)cc(F)cc1Br	841987895	OLSLCTLZNREENW-YFKPBYRVSA-N	323.141	1.701	50	20	DDGD	
C[C@@H]1OCCC1=NNC(=O)c1nn(-c2ccccc2)cc1O	747754681	BRFZGAFXMZZJDW-JTQLQIEISA-N	300.318	1.473	50	20	DDGD	
O=C1CC[C@]2(C(=O)NNc3c(F)cccc3F)SCCN12	748175280	FQYZNYIFHRLULL-CYBMUJFWSA-N	313.329	1.473	50	20	DDGD	
Cc1cccn2cc(CCNC(=O)NNC(=O)C(C)(C)C)nc12	746776495	UXQDSAVMXNMTKH-UHFFFAOYSA-N	317.393	1.562	50	20	DDGD	
COc1cccc2cc(C=NNC(=O)C(=O)N3CCCC3)oc12	748137590	OBWHIJALCUXDPE-UHFFFAOYSA-N	315.329	1.514	50	20	DDGD	
CC(C)N(C)S(=O)(=O)NNC(=O)c1cccc2ccccc12	747616146	KPBBCJDSLONEJR-UHFFFAOYSA-N	321.402	1.659	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(OC)c(OC)c1	929177081	KDVVPAMZCQMBPX-UHFFFAOYSA-N	305.334	1.660	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H](C[C@H]1CCCO1)C(F)(F)F	845323186	IYKLMSYUNXFDLF-BDAKNGLRSA-N	311.304	1.473	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(-c2cccs2)on1	843973106	JLARNMSCQZJHPG-DTWKUNHWSA-N	321.358	1.589	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	843658739	GEVLEFJGFBKEAU-YWPYICTPSA-N	320.389	1.446	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](C[C@@H]1CCCO1)C(F)(F)F	845925030	CSKFAADBKPVJKW-IUCAKERBSA-N	311.304	1.427	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1ccc(F)cc1N(C)C	759197983	ZWUZXGQTFBJDMX-UHFFFAOYSA-N	320.368	1.354	50	20	DDGD	
O=C(NNC(=O)c1cccc2c1OCCO2)OCC(F)(F)F	856024544	ZDAZLULMYOCTFQ-UHFFFAOYSA-N	320.223	1.391	50	20	DDGD	
CN1CCCN(C(=O)NC[C@@]2(C)C[C@H]2Br)CC1	856951272	SHVSSCVRTMHDPP-ZYHUDNBSSA-N	304.232	1.507	50	20	DDGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cn(CC(=O)O)nn2)s1	759083758	KXNVBOXOQLXCGN-RUDMXATFSA-N	302.315	1.523	50	20	DDGD	
COCc1cc(C(=O)NC[C@]2(C)C[C@@H]2Br)no1	857397777	MIYFMBQRYINDNE-ONGXEEELSA-N	303.156	1.724	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Nc1cnc(C)nc1	756370176	IPKUTSBCBLUUSO-UHFFFAOYSA-N	315.333	1.189	50	20	DDGD	
CCS(=O)(=O)N[C@H](C)C(=O)NNc1ccc(C(C)C)cc1	854885100	YJVUQLVIKPSJNP-LLVKDONJSA-N	313.423	1.581	50	20	DDGD	
Cc1ccc(-n2[nH]nnc2=NC[C@@]2(C)C[C@@H]2Br)cc1	856786699	QSQGVGRWIFRXHU-WCQYABFASA-N	322.210	1.978	50	20	DDGD	
CC(=O)OCC(C)(C)CC(=O)NNC(=S)N[C@@H](C)C1CC1	855098289	FNQZDYXHSHGUGF-VIFPVBQESA-N	315.439	1.260	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1CCCC[C@H]1SCC	750677169	WAAAYCBSVNFSNY-GHMZBOCLSA-N	303.428	1.418	50	20	DDGD	
CN(C)[C@@H](C(=O)NNc1ncccc1[N+](=O)[O-])c1ccccc1	759301666	ZXJKRSBGXAIBNC-CYBMUJFWSA-N	315.333	1.736	50	20	DDGD	
COc1cccc(OC)c1CNC(=O)NNC(=O)C(C)(C)C	852083612	ILXZHDFKTGOLKA-UHFFFAOYSA-N	309.366	1.580	50	20	DDGD	
C[C@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)c1ccc(C#N)cc1	759737741	SFILRWDHNAIETK-YPMHNXCESA-N	316.361	1.317	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H]2C[C@@H](C)Cc3c[nH]nc32)n1	857858279	LPFBXAKTKSZZGX-XVKPBYJWSA-N	320.784	1.971	50	20	DDGD	
O=C(COC(=O)[C@H]1CC12CCC2)NNC(=O)c1ccccc1	759983899	SFWOEZQTFSEARH-GFCCVEGCSA-N	302.330	1.181	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NN=Cc1cocn1	853372940	FGHGEGZFJGQILP-VXGBXAGGSA-N	303.322	1.026	50	20	DDGD	
O=C(NNC(=O)C1CC(F)(F)C1)c1cnn(-c2ccccc2)c1	753618086	OBNGQJGUHTWGLR-UHFFFAOYSA-N	320.299	1.679	50	20	DDGD	
COCCN(C)NC(=O)c1cc(N(C)C)cc(C(F)(F)F)c1	854409347	DIHLGNITMOTXEO-UHFFFAOYSA-N	319.327	1.994	50	20	DDGD	
CC(C)Cn1cc(C(=O)NNC(=O)c2cccc(Cl)n2)cn1	857323089	APJKZLBDLKOVRZ-UHFFFAOYSA-N	321.768	1.662	50	20	DDGD	
Cc1n[nH]c(C)c1C=NNC(=O)CCCNC(=O)C(C)(C)C	853409715	MHOLLWMQLNDXJP-UHFFFAOYSA-N	307.398	1.419	50	20	DDGD	
Cn1nncc1NNC(=O)CCc1cccc(C(F)(F)F)c1	857272886	JUKZSSUAUFNQAD-UHFFFAOYSA-N	313.283	1.910	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)[C@H]1CCc2n[nH]cc2C1	855623235	WZYISAPBSIMJCE-QMMMGPOBSA-N	319.296	1.705	50	20	DDGD	
CC(C)(C)N1C[C@H](C(=O)NNc2cccnc2Cl)CC1=O	754488406	WOYZVHRPGHFGBT-SECBINFHSA-N	310.785	1.825	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](CC(C)C)N1CCCCC1=O	755111734	JKKMSACZVJPVFB-CYBMUJFWSA-N	311.426	1.607	50	20	DDGD	
N#CSCCCNC(=O)[C@@]1(c2ccccc2)CCC(=O)NC1	854360426	OLRJGMQGBRUULC-INIZCTEOSA-N	317.414	1.555	50	20	DDGD	
COC1(C(=O)NNC(=O)c2cccc(Cl)n2)CCCCC1	857323339	JGZVPTQHYYXFKR-UHFFFAOYSA-N	311.769	1.845	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)C[C@@](C)(O)C2CC2)cc1	755413900	ZGGBXUYZIOTRFG-MRXNPFEDSA-N	322.430	1.786	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1C	756279616	IINRPOKSYHLSIA-UHFFFAOYSA-N	318.377	1.794	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2c[nH]nc2C)cnc1Cl	757631085	VIWDQBSUCOOACC-UHFFFAOYSA-N	308.729	1.541	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H](C)COCC2CC2)c1	858588478	HDTDEYAGJQNJHN-JTQLQIEISA-N	311.407	1.816	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)NCC(=O)NNC(=O)c1cccs1	754156470	AWRSJGQOTNUPKF-MRVPVSSYSA-N	322.390	1.465	50	20	DDGD	
C[C@@H]1CO[C@H](CO)CN1C(=O)[C@H](Br)C(C)(C)C	768274226	DAWIJDUGZAWHAX-UTLUCORTSA-N	308.216	1.404	50	20	DDGD	
CC(C)(C)c1[nH]cnc1C(=O)NNC(=O)Cc1cccnc1	865167611	RRCYSZSXHICWEL-UHFFFAOYSA-N	301.350	1.106	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@]2(c3ccccc3)CCCO2)n[nH]1	935140625	WNFFITJBYOPWLS-INIZCTEOSA-N	314.345	1.185	50	20	DDGD	
COc1ccc(O)c(C(=O)NNCC(F)(F)C(F)(F)F)c1	863092814	LFUVRCQXSIFZCO-UHFFFAOYSA-N	314.210	1.833	50	20	DDGD	
CC(C)C1(C(=O)NNc2nc3ccccc3c(=O)n2C)COC1	932752856	HERHZEHYISMNQM-UHFFFAOYSA-N	316.361	1.049	50	20	DDGD	
Cc1ccc(C[C@@H](C)C(=O)NNC(=O)Cc2cc(C)[nH]n2)cc1	869015596	SYHXIBVECMIBFG-GFCCVEGCSA-N	314.389	1.595	50	20	DDGD	
O=C(Cc1ccc(O)c(Cl)c1)NNC(=O)[C@H]1CCCCO1	868619525	OIKRKYSAWRZSQI-GFCCVEGCSA-N	312.753	1.305	50	20	DDGD	
C[C@H](CNC(=O)OC(C)(C)C)C(=O)NN[C@H](C)C(F)(F)F	862320357	QDUGZKSPYKTFSG-HTQZYQBOSA-N	313.320	1.719	50	20	DDGD	
O=C(NNc1cccnn1)N[C@@H]1CCN(C2CCCCC2)C1=O	765887156	XNSDTLYIWHPJNZ-GFCCVEGCSA-N	318.381	1.036	50	20	DDGD	
C[C@@H](COc1ccccc1F)NC(=O)NNC(=O)c1ccc[nH]1	1115887829	UEZYGDTVVUQVKH-JTQLQIEISA-N	320.324	1.565	50	20	DDGD	
CC(C)(C)C(=O)c1ccc(NC(=O)NNC(=O)CCO)cc1	1116611074	ROXFOSDTPFJFFW-UHFFFAOYSA-N	307.350	1.451	50	20	DDGD	
COc1cc(C)cc(CNC(=O)NN=c2cc[nH]c(C)c2)c1	875412534	RQOJDTMPDSGWBR-UHFFFAOYSA-N	300.362	1.955	50	20	DDGD	
COCC(=O)NN=C(C)[C@@H]1CCCCN1C(=O)OC(C)(C)C	761819652	YDAOLXKNCWNXKL-LBPRGKRZSA-N	313.398	1.915	50	20	DDGD	
CC(=O)N(CC(=O)NNC(=O)OC(C)(C)C)c1ccccc1	878000375	WCULLJIZKPJYKQ-UHFFFAOYSA-N	307.350	1.595	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)CN2CCCC2=O)cc1C	872335514	RCEZRNYEVYNZIA-UHFFFAOYSA-N	317.389	1.856	50	20	DDGD	
Cc1csc2ncc(C(=O)NNc3ccccc3F)c(=O)n12	776491375	UWCHJWQTXBLNBU-UHFFFAOYSA-N	318.333	1.960	50	20	DDGD	
O=C(Cc1ccco1)NNC(=O)c1cncn1-c1ccccc1	1116290172	BNQFMCFZRFWUHP-UHFFFAOYSA-N	310.313	1.469	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC2(C#N)CCC2)cc1	1118041716	VDGQXEGXZFCMAQ-UHFFFAOYSA-N	302.334	1.333	50	20	DDGD	
CC1(C)OCC(C)(C(=O)NN=c2cc[nH]c3ccccc23)CO1	775604985	VKGKLCDNSLSKNC-UHFFFAOYSA-N	315.373	1.889	50	20	DDGD	
COc1cc(F)cc(OC)c1C=NNC(=O)N1CCOCC1	872346228	MFRRCWOFXAVUBE-UHFFFAOYSA-N	311.313	1.219	50	20	DDGD	
C[C@@H](CBr)COC(=O)Cn1ccc([N+](=O)[O-])n1	770342858	KYHGBOBLIFHNNZ-ZETCQYMHSA-N	306.116	1.366	50	20	DDGD	
C[C@@H]1CCN(S(=O)(=O)NNC(=O)c2ccccc2Cl)C1	1116488912	IJDODPHTGNMDBM-SECBINFHSA-N	317.798	1.161	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NNc2ccc(F)cn2)C1	874646970	KARQFXAFNQGRGY-JGZJWPJOSA-N	324.356	1.967	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@H](NC(=O)NNC(=O)CC(F)(F)F)C1(C)C	776065848	DJMUGGZBPDLBPD-BWVDBABLSA-N	311.304	1.329	50	20	DDGD	
N#CCOc1ccc(NC(=O)NNc2nc3ccccn3n2)cc1	1116752812	LHPPKOGIANMMJM-UHFFFAOYSA-N	323.316	1.780	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@@H](c2nncn2C)C(C)C)n1	875576421	XQOLMEACKIWLNV-GFCCVEGCSA-N	303.370	1.542	50	20	DDGD	
O=C(COc1ccc([N+](=O)[O-])c(F)c1)NNc1ccccn1	777471312	KIBIQUHNVGPJFS-UHFFFAOYSA-N	306.253	1.651	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)CCc1ccncc1	779599196	RIXUELQEUOHSQE-CYBMUJFWSA-N	306.410	1.138	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@](C)(O)C2CC2)c1	874946370	HILGIHRWPPDBAM-CQSZACIVSA-N	311.382	1.613	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccc(F)cn2)[C@@H]2CCCC[C@H]2N1	874647508	WOHCRJVXWCMIIR-SDDRHHMPSA-N	306.341	1.359	50	20	DDGD	
C=CCOc1cccnc1C(=O)NNc1nccnc1Cl	775605749	ICOMDZMSQAITPC-UHFFFAOYSA-N	305.725	1.847	50	20	DDGD	
CO[C@@H]1CCC[C@H]1CNC(=O)NNC(=O)Cc1ccccc1F	774791646	YBAORNOWRZQQLN-GXTWGEPZSA-N	323.368	1.514	50	20	DDGD	
COC(=O)c1cnc(C(=O)NNc2cc(C)ccc2F)cn1	779675683	YPLAPIQUJFKZTR-UHFFFAOYSA-N	304.281	1.468	50	20	DDGD	
COc1ccc([C@H](O)CNS(=O)(=O)CCCCl)cc1	881914607	QPJNEXAIOVGWCB-GFCCVEGCSA-N	307.799	1.277	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N[C@H]1CC[C@@H](C)C1	780782248	IOECUFVNZVQDBC-PWSUYJOCSA-N	315.377	1.775	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)Nc1cccc(Cn2cccn2)c1	781028208	STBCHKYJBUEEIJ-UHFFFAOYSA-N	308.345	1.897	50	20	DDGD	
CCc1nn(C)c(CC)c1CNS(=O)(=O)CCCCl	882015642	AGHOYFYLBIVGBP-UHFFFAOYSA-N	307.847	1.593	50	20	DDGD	
CC(C)N(CCNC(=O)NNc1ccc(C#N)cn1)C(C)C	887601223	ZLVCJIAHSZGNBP-UHFFFAOYSA-N	304.398	1.698	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H]1C[C@H]1c1cc(OC)ccc1OC	788088222	JFJMRQJYTFPHKP-CMPLNLGQSA-N	307.350	1.158	50	20	DDGD	
O=C(N=c1cc[nH]cc1[N+](=O)[O-])NNc1ncncc1Cl	782059562	ZHTFWBROLDHWIE-UHFFFAOYSA-N	309.673	1.004	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cn1	788262288	KLKHWNRXECHYNG-UHFFFAOYSA-N	304.737	1.852	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNC(=O)COc1ccc(F)cc1	784293571	JNIXZYHSCLKKRP-UHFFFAOYSA-N	305.309	1.313	50	20	DDGD	
COC(=O)COc1ccc(C=NNC(=O)c2ccccn2)cc1	782219026	NVXODEZRCLAJCZ-UHFFFAOYSA-N	313.313	1.397	50	20	DDGD	
CS(=O)(=O)c1ccccc1CC(=O)NNc1cccc(F)c1	786427088	NOHYBQOZTJUEPG-UHFFFAOYSA-N	322.361	1.915	50	20	DDGD	
CS(=O)(=O)CCCCOC(=O)/C(C#N)=C\c1ccccc1	785378344	NLBMJKVAUOZFJK-KAMYIIQDSA-N	307.371	1.962	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC(=O)c2cccn21)c1ccccc1O	788738738	NOJUBZLITFDREX-GFCCVEGCSA-N	313.313	1.173	50	20	DDGD	
O=C(C[C@H]1NC(=O)c2ccccc21)NNC(=O)C1CCCC1	895688308	LWVGPQIGNSXSAA-CYBMUJFWSA-N	301.346	1.199	50	20	DDGD	
CC(=NNC(=O)Cc1csc(C)n1)C(C)(C)n1cncn1	794470576	JXQAMWZDWWKYPD-UHFFFAOYSA-N	306.395	1.513	50	20	DDGD	
Cc1cccnc1NNC(=O)CCNC(=O)c1ccsc1	791223685	JVOJNZDTOZYTOX-UHFFFAOYSA-N	304.375	1.715	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)c2csnn2)c1	791277999	UXQBFHHZGBAWIY-UHFFFAOYSA-N	306.351	1.389	50	20	DDGD	
CC1=C(C(=O)NNC(=O)Nc2ccccc2C)C(=O)OC1(C)C	798311487	AQKXUXCXCNHPKR-UHFFFAOYSA-N	317.345	1.800	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1	792659508	QSQZUPNZORHQLZ-CYBMUJFWSA-N	322.328	1.182	50	20	DDGD	
C=C(CBr)CN(CCC(=O)OC)C[C@H]1CCCO1	791460980	OPPKSTWXAVQCFV-GFCCVEGCSA-N	320.227	1.982	50	20	DDGD	
CC(=NNC(=O)NCC1CC1)C1CN(C(=O)OC(C)(C)C)C1	794500089	UOBKTMZQSCTBQW-UHFFFAOYSA-N	310.398	1.938	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccc2nc(S)oc2c1	799833542	XWIGHULOCIFRAD-UHFFFAOYSA-N	319.264	1.830	50	20	DDGD	
O=C(c1csc(Br)c1)N1CC[C@@H](B(O)O)C1	585076992	PEGDPXRHAVKOIN-SSDOTTSWSA-N	303.974	1.200	50	20	DDGD	
COC(=O)c1cc(CNC(=O)NNC(=O)C2CCC2)oc1C	1318455995	ZKDGUFAPYXMHOQ-UHFFFAOYSA-N	309.322	1.005	50	20	DDGD	
CCS[C@@H](C(=O)NNc1nncc(N)c1Cl)C(C)C	1319220607	SZOHPFDPAULCAO-SECBINFHSA-N	303.819	1.933	50	20	DDGD	
Cc1ccc(O)c2c1[C@H](C)CC2=NNC(=O)C(=O)N1CCCC1	1318220620	CXCULSFNOGXBBU-LLVKDONJSA-N	315.373	1.651	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2ccc(OC)cc2)cnn1C	1321707819	CMLWOJQYKIVMTD-UHFFFAOYSA-N	302.334	1.066	50	20	DDGD	
Nc1cnnc(NNC(=O)C2CN(C3CCCCC3)C2)c1Cl	1326744552	LOHUPQMKHMQSLZ-UHFFFAOYSA-N	324.816	1.420	50	20	DDGD	
Cc1cccc2nc(C(=O)NNC(=O)CC3CCCC3)cn12	1321138726	FZUWOPJLFBNCMJ-UHFFFAOYSA-N	300.362	1.984	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C(C)(C)c1ccccc1)n1ccnc1	1321637192	ZIXOBLRPUQPRFS-GFCCVEGCSA-N	300.362	1.569	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNC(=O)c1ccccc1Cl	1251649342	KLYWTLQDLQMCSQ-CYBMUJFWSA-N	309.797	1.975	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCc1ccccc1CN	1329375682	NFZHNOLRJFBVRJ-UHFFFAOYSA-N	304.843	1.830	50	20	DDGD	
C[C@@]1(Cn2nnnc2N2C3CCC2CC3)C[C@H]1Br	1334657370	LNQMCGHLGQRLCV-PTFDWCFRSA-N	312.215	1.978	50	20	DDGD	
CCOc1cc(C(=O)NNC(=O)Cc2ccccc2C)[nH]n1	1331088444	CYVZHWCZPMZQKT-UHFFFAOYSA-N	302.334	1.121	50	20	DDGD	
Cn1ccc(NNC(=O)CCc2nc(-c3cccs3)no2)n1	1256185120	STKFCLDKVRFVOD-UHFFFAOYSA-N	318.362	1.608	50	20	DDGD	
COc1ccc(C(=O)C(=O)NNc2cccnn2)cc1Cl	1254806616	FPBXHHJFFXAECG-UHFFFAOYSA-N	306.709	1.465	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(Br)cc1C#N	1332628828	BFJRLIVHLIPRQU-QMMMGPOBSA-N	312.167	1.278	50	20	DDGD	
CCc1cc(C(=O)NNc2cccc(S(C)(=O)=O)c2)nn1C	1337567716	UVFRTZABXAOPIX-UHFFFAOYSA-N	322.390	1.143	50	20	DDGD	
Cc1ccccc1C(F)(F)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	1261501120	QCRFOQLFZQIPIM-MNOVXSKESA-N	312.316	1.659	50	20	DDGD	
CCN(CC)CC[C@@H](C)NC(=O)NNC(=O)[C@H]1CCCCO1	1263305278	UZIJPZGFHJPBFS-CHWSQXEVSA-N	314.430	1.006	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@@H]1CCCc2cccnc21	1521201719	FESAWDSIHJQADP-CYBMUJFWSA-N	302.378	1.980	50	20	DDGD	
Cc1ccc(CNC(=O)NNc2ccc(CC(=O)O)cc2)cn1	1600416589	KGWXITDITLQXGE-UHFFFAOYSA-N	314.345	1.843	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2cccc(C(=O)O)c2F)CCN1	1609844449	KRZURCOCEOJVMR-BDAKNGLRSA-N	310.329	1.291	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)C(=O)NNc1ccc(C(=O)O)cn1	1600669685	URPCQIWAIZWVSF-SSDOTTSWSA-N	303.322	1.367	50	20	DDGD	
CC[C@@H](C)[C@@H](NNC(=O)c1cnn(-c2ccccc2)c1)C(=O)O	1604947204	QAAOZAPCXUYWNM-BXUZGUMPSA-N	316.361	1.606	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1	1601560955	HXDYSSWIDXZIMK-YACGNSKGSA-N	320.305	1.474	50	20	DDGD	
Cc1cccnc1C(=O)NN[C@H](C(=O)O)c1cccc(C#N)c1	1600589833	LRWCMUBMTURKJC-AWEZNQCLSA-N	310.313	1.322	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNc2ccc(C(=O)O)cc2OC)O1	1609945925	GPVMYRXDIXECFR-PWSUYJOCSA-N	308.334	1.794	50	20	DDGD	
C[C@@H]1OCC(=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)[C@H]1C	1603953539	INIKQOALDKDZCK-IUCAKERBSA-N	300.322	1.007	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2nnc3ccccc3n2)c1	1610848661	QEFDDKXQIORPQK-UHFFFAOYSA-N	309.285	1.480	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@@H]1C(=O)NN=C1COC(C)(C)C1	1549318760	YUSUOJHTHXKNKX-STQMWFEESA-N	320.393	1.559	50	20	DDGD	
COc1ccsc1C(C)=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549321826	VGMDUXREDLXPJA-DGCLKSJQSA-N	323.418	1.460	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)C1(C#N)CCOCC1	1610286098	RWMQQQVRIDXXLF-UHFFFAOYSA-N	319.317	1.157	50	20	DDGD	
N[C@@H](CCC(=O)NNC(=O)c1cccc(Cl)c1)C(F)(F)F	1574284395	NAMUDEJDHFYSHC-VIFPVBQESA-N	323.702	1.771	50	20	DDGD	
COc1cccc2c1CC[C@@]2(N)C(=O)NN(C)c1ccccn1	1579292108	YJBNQNXNMCQJOJ-KRWDZBQOSA-N	312.373	1.358	50	20	DDGD	
CNNC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1	1578744260	BQCDFJVWRAYGNK-LLVKDONJSA-N	311.407	1.114	50	20	DDGD	
CC1(C)C[C@@]1(C(=O)O)C(=O)NNC(=O)CCCc1ccccc1	1589219900	UETDVOKIVQPXHX-KRWDZBQOSA-N	318.373	1.658	50	20	DDGD	
C[C@@H](CC(=O)O)NC(=O)NNC(=O)c1ccc2ccccc2n1	1589002847	ZFUFOWPAOLSSAJ-VIFPVBQESA-N	316.317	1.042	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)[C@@H]2CCCOC2)C1	1847030209	INELBHAOVVVAFY-GHMZBOCLSA-N	318.776	1.151	50	20	DDGD	
COCC(=O)N1CCCC12CN(C(=O)C(C)(C)CCl)C2	1842688680	VKRMMGOVNIJCMI-UHFFFAOYSA-N	302.802	1.101	50	20	DDGD	
O=C(c1cc(F)c[nH]1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843366806	QLSZDHZSWDPXRI-JTQLQIEISA-N	317.723	1.505	50	20	DDGD	
CC[C@](COC)(NC[C@@H](CBr)C1CC1)C(=O)O	1595194960	MQWRGJKMEFRCBQ-ZYHUDNBSSA-N	308.216	1.877	50	20	DDGD	
CO[C@H]1CCC[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)C1	1591353101	GZKXNDNCTYIKOR-YPMHNXCESA-N	316.365	1.515	50	20	DDGD	
COc1ccccc1NNC(=O)CCc1ocnc1C(=O)O	1599715984	SZBOSYCZAJKISE-UHFFFAOYSA-N	305.290	1.457	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc(C(=O)O)c1)c1ccnn1C	1593102444	SBMBQSAEMOSMSJ-SECBINFHSA-N	303.322	1.506	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1c(F)ccc(C(=O)O)c1F	1776115494	AENMYXXYDHFLOZ-SOFGYWHQSA-N	311.240	1.760	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2ccc(C(=O)O)cc2)CC[C@H]1C(=O)O	1776101075	PKEOJHHWLSHGJK-NOZJJQNGSA-N	318.329	1.991	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl)c1cn[nH]c1	1796809295	RRBVPNWMSXTSEK-VLEAKVRGSA-N	314.748	1.196	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=S)N[C@@H]2CCCC[C@H]2C)n1	16316507	QOEKQXVMJTXDHI-ZWNOBZJWSA-N	323.466	1.574	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)Cc2cccc(F)c2)c1	17249752	ZWDBXKVKBLUXGZ-UHFFFAOYSA-N	315.348	1.895	50	20	DDGD	
CC(C)c1ccc(NC(=S)NNC(=O)C(=O)NC2CC2)cc1	18166858	VUCJQOVVGVRXRP-UHFFFAOYSA-N	320.418	1.406	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1	162229356	ZYRXMDPETYMKFY-UHFFFAOYSA-N	320.393	1.379	50	20	DDGD	
CC1(C)C[C@H](NC(=O)NNC(=O)c2ccc(C#N)cc2)CCO1	162854525	WDBWVDHTPBBCKV-CYBMUJFWSA-N	316.361	1.460	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCCCO1	153021544	JKCFHSGMIQTKSY-AWEZNQCLSA-N	306.362	1.344	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CCCC(=O)NC(C)C)c1	156121145	IKRVATVBWCTRNY-UHFFFAOYSA-N	311.357	1.972	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)Nc2cccc(C)c2C)n1	156257439	XRKCZMZGCLXUNG-UHFFFAOYSA-N	313.361	1.792	50	20	DDGD	
O=C(CCNS(=O)(=O)CCCCCl)Nc1ccccc1	154205349	ALKSLUSIJVEIKV-UHFFFAOYSA-N	318.826	1.954	50	20	DDGD	
COc1ccc(NNC(=O)c2ccccc2-n2ccnn2)nc1	159568860	PWIBRTGYRNPKAF-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
CCCC(=O)N1CCC[C@H](C(=O)NNc2ccc(OC)cn2)C1	159386296	NBEJCWBWJSENDR-LBPRGKRZSA-N	320.393	1.572	50	20	DDGD	
CN(C)C1CN(S(=O)(=O)c2ccc(CCCCl)cc2)C1	272111744	NUPINTDCZNGVMJ-UHFFFAOYSA-N	316.854	1.793	50	20	DDGD	
CCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(CCl)cc1	312868440	OFKQZAPEZVLJIT-SNVBAGLBSA-N	318.826	1.571	50	20	DDGD	
CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCC(Cl)Cl	497249038	FEHKIYHAMCOIQQ-ZETCQYMHSA-N	315.197	1.446	50	20	DDGD	
CNC(=O)NNC(=O)c1ccnc(OCc2ccccc2)c1	56377431	AXBDWUGIWQRQQJ-UHFFFAOYSA-N	300.318	1.234	50	20	DDGD	
CCc1ccc([C@@H](COC)NC(=O)NNc2cccnn2)o1	173521066	IKDGJZZPZGPZCV-LLVKDONJSA-N	305.338	1.646	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCN(C2CCCC2)CC1	109829000	NROFIZXQMVMQNT-CQSZACIVSA-N	324.469	1.129	50	20	DDGD	
COc1c(C)cnc(CNC(=O)NNC(=O)OC(C)(C)C)c1C	51754962	AUWCFLDABFYTSV-UHFFFAOYSA-N	324.381	1.946	50	20	DDGD	
O=C(CCC1CCCC1)NNC(=O)Cc1cn2ccccc2n1	173883908	FFPYTEAVRFVFSW-UHFFFAOYSA-N	314.389	1.995	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1CCC2(CCCC2)C1	176393706	XNHXMPPNCCQIKM-UHFFFAOYSA-N	302.378	1.631	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1cnc(-c2ncccn2)s1	182429842	SLISUMIOLLQHPX-UHFFFAOYSA-N	316.321	1.891	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@H](C(=O)NNc2nnc(C3CC3)s2)C1	184477058	WPSLFYAZUDCCKO-VHSXEESVSA-N	324.406	1.838	50	20	DDGD	
COCC(=O)N(C)CC(=O)NNc1cccc(C(F)(F)F)c1	179465027	QWEWXZNMCMHEHG-UHFFFAOYSA-N	319.283	1.253	50	20	DDGD	
C[C@H]1CCN(C(=O)NNC(=O)COCc2ccccc2)C[C@H]1C	128215586	IDPWNUBGKVAYLZ-UONOGXRCSA-N	319.405	1.922	50	20	DDGD	
CCN1CCC(NC(=O)NNC(=O)c2ccccc2OC)CC1	67583197	KVBVIQMJBOCCFP-UHFFFAOYSA-N	320.393	1.124	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1csc(-c2ccco2)n1	73965168	DVAMNXNUBACXIF-UHFFFAOYSA-N	316.342	1.816	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)Nc1ccncc1F	184198656	VKKKOLCMUAJDGP-UHFFFAOYSA-N	306.272	1.755	50	20	DDGD	
O=S(=O)(CCCCCl)N1CC[C@@H](CN2CCCC2)C1	154363673	ROWVOVPAMMCDRH-ZDUSSCGKSA-N	308.875	1.753	50	20	DDGD	
CN(NC(=O)CCS(=O)(=O)C1CCCC1)c1ccccc1	45007422	NWNQNZZNRCVLPI-UHFFFAOYSA-N	310.419	1.902	50	20	DDGD	
CC[C@H](C)[C@@H](C)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1	181775564	DLKDMRHPPCFWBS-WDEREUQCSA-N	316.365	1.106	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cc(-c2ccc(F)cc2)on1	135387070	XTJXRNBAXSGXDB-UHFFFAOYSA-N	306.297	1.833	50	20	DDGD	
CSc1nc(C2CC2)nc(C)c1C(=O)NNC(=O)C1CC1	81223995	NNMUHXBCEJLFOT-UHFFFAOYSA-N	306.391	1.555	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(C3CC3)[nH]n2)c(O)c1	194265946	MRSVRXMNOCSIKW-UHFFFAOYSA-N	300.318	1.376	50	20	DDGD	
O=C(O)c1ccc(S(=O)(=O)NCC(Cl)Cl)cc1F	380670495	LEDXOOPKBMUHEO-UHFFFAOYSA-N	316.137	1.606	50	20	DDGD	
COc1ccc(C)cc1NC(=O)C(=O)NNc1ccnc(F)c1	190307165	COAVRQNTSBLYNY-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
Cn1ccc(C(=O)NNc2ccc(-c3ccccc3)nn2)cc1=O	85655673	QZHDCGMGRAFWDD-UHFFFAOYSA-N	321.340	1.599	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2c(C)nn(C)c2C)cc1	97010093	XICNZKFTCPBKOS-UHFFFAOYSA-N	316.361	1.185	50	20	DDGD	
COc1ccccc1OCCC(=O)NNC(=O)c1ccc[nH]1	96953550	KXYVAPZWSIBTBE-UHFFFAOYSA-N	303.318	1.253	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	269496786	PYCWUCIHFYHFKO-RYUDHWBXSA-N	310.375	1.115	50	20	DDGD	
CC(C)(C)Oc1cccc(CCC(=O)NNC(=O)NC2CC2)n1	268131280	AOSCXVRQFYCQCC-UHFFFAOYSA-N	320.393	1.684	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1ccc(F)cc1)N1CCCCCC1	265408324	LJPIIDWQGAXQDS-CYBMUJFWSA-N	321.396	1.780	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)COc2ccccc2F)O1	268367362	VMUDLOLVZFLPPM-GXFFZTMASA-N	310.325	1.310	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NCCCc1ccccc1	267119123	ANHJEASGZPOFFA-CYBMUJFWSA-N	323.393	1.001	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)c2ccccc2C)C[C@H](C)O1	264693095	FAKIXIUTQLLHLM-STQMWFEESA-N	305.378	1.849	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CC[C@@H](OCC(C)C)C2)n1	279706435	RWTZQUYCRJGGHG-CYBMUJFWSA-N	320.393	1.491	50	20	DDGD	
COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NNC(=O)C2CC2)c1	276263045	SUTSHQWGOLADLR-AAEUAGOBSA-N	304.346	1.365	50	20	DDGD	
COC(=O)NNC(=O)N[C@@H](c1ccc(OC)cc1)C(F)(F)F	274900877	GYUGSLNRSXTLDX-VIFPVBQESA-N	321.255	1.869	50	20	DDGD	
Cc1oc(C(=O)O)cc1S(=O)(=O)NNC(=O)OC(C)(C)C	274043120	DSPPFLGEOQOFHM-UHFFFAOYSA-N	320.323	1.004	50	20	DDGD	
CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N1CC=C(C#N)CC1	270969199	SPOGSGHOSCHTQW-GFCCVEGCSA-N	323.418	1.979	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)c1ccccc1C)[C@H]1CCCO1	279661123	CTPUYNXLQAQQQM-ZIAGYGMSSA-N	321.377	1.133	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCO1	271809375	BHDVKNIKJMTXSI-KOLCDFICSA-N	307.306	1.171	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	279229329	GEUJSSITOSIKRO-VIFPVBQESA-N	315.301	1.619	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CC(C)(C)C)nn1CCC#N	273503102	ZAVHARYRIUUPDT-UHFFFAOYSA-N	306.370	1.694	50	20	DDGD	
CC(C)(C)OC(=O)NCCCCNC(=O)NNc1cccnn1	273073820	ZYKVSDCBTFTWAJ-UHFFFAOYSA-N	324.385	1.408	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CSc1ccc(F)c(F)c1	272697030	SAKSTSCDUHNODX-UHFFFAOYSA-N	303.334	1.749	50	20	DDGD	
CCOC(CCNC(=O)NNc1ccc(OC)cn1)OCC	276270255	SCRNKSUMNNNHOT-UHFFFAOYSA-N	312.370	1.506	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cc(OCC(F)F)ccn1	272491549	HSBYWMQFTBLCEJ-UHFFFAOYSA-N	317.292	1.895	50	20	DDGD	
COC1(C)CCN(CC(=O)NNC(=O)c2ccc(F)cc2)CC1	271728584	MNKFPTKAIULIBM-UHFFFAOYSA-N	323.368	1.088	50	20	DDGD	
CSC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	282822787	OFQGBQZNISGLKR-JTQLQIEISA-N	309.391	1.080	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NC[C@H]2CCCC(F)(F)C2)cn1	283331458	AKAQDSJDRJDBTH-VIFPVBQESA-N	315.324	1.190	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@@H]1CCCN1C1CCOCC1	286624571	RLZNJEOFUZQFBN-LBPRGKRZSA-N	308.357	1.307	50	20	DDGD	
COCCN(C)NC(=O)/C=C/c1ccc(N2CCCC2=O)cc1	288447028	IYVYVWLDYTTWIO-JXMROGBWSA-N	317.389	1.436	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NNC(=O)c1ccc(C)s1	281932175	WTCQDDNVKFNRKR-AAEUAGOBSA-N	323.418	1.982	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(-n2nc(C)cc2C)cc1	286293325	JKXIWIXRIZXDPV-UHFFFAOYSA-N	302.334	1.832	50	20	DDGD	
O=C(NNc1ncccc1F)C(=O)N1CCc2c(F)cccc21	807301029	QZVHUSCLKDTPDA-UHFFFAOYSA-N	318.283	1.392	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)c1cc([N+](=O)[O-])n[nH]1	802765674	ZIOOYOKMUAOBGA-UHFFFAOYSA-N	305.279	1.080	50	20	DDGD	
CC1(C)C[C@H]1NC(=O)NNC(=O)c1ccc2c(c1)OCCO2	299025538	HTIFEELYACKTPL-GFCCVEGCSA-N	305.334	1.200	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	802046611	FMLSHYNJNVYMPV-UHFFFAOYSA-N	303.265	1.212	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H]1C[C@@]12CCc1ccccc12	802025727	DXEZQHGNEDUOAQ-MAUKXSAKSA-N	322.368	1.560	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNc1ncccc1[N+](=O)[O-]	807060643	DGCYDOYGIXUJGR-UHFFFAOYSA-N	310.310	1.412	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c(C)o1	292804575	RNWZFRLLRDUHDP-UHFFFAOYSA-N	317.301	1.137	50	20	DDGD	
CC(C)(C(=O)NNC(=O)C1CC1)c1ccc2c(c1)OCCO2	299375707	KIEMRPCLNWMRBB-UHFFFAOYSA-N	304.346	1.293	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(C)n(-c2ccccn2)c1C	804125007	WCIXSEHXXFDUKX-UHFFFAOYSA-N	302.334	1.832	50	20	DDGD	
COCCN1C[C@@H](C(=O)OC[C@H](C)CBr)CC1=O	800132042	MUFDJLJMXVDDSY-ZJUUUORDSA-N	322.199	1.056	50	20	DDGD	
O=C(COc1cc(F)cc(F)c1)NNC(=O)NC1CCCC1	290499428	MFMCYDLBVNTYFB-UHFFFAOYSA-N	313.304	1.617	50	20	DDGD	
CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NCC(Cl)Cl	808129832	XRJRMWSBJJSINC-SSDOTTSWSA-N	313.250	1.854	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)[C@@H]1CCCC12OCCO2	807174376	ZSKFAWLRLLABSB-JTQLQIEISA-N	302.334	1.549	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1nc(-c2ccccc2)ns1	809427692	YJERAGOJZSPAIK-UHFFFAOYSA-N	307.335	1.940	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc(C#N)c(F)c1	817326120	SIVOTNJWJLWNSH-UHFFFAOYSA-N	304.325	1.452	50	20	DDGD	
Cc1nccc(CCC(=O)NNC(=O)Cc2ccccc2F)n1	815539420	LBCPRZNZMPEQJC-UHFFFAOYSA-N	316.336	1.247	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cccc(CN2CCCC2)c1	819104730	RBDRAIGCSIRLJK-UHFFFAOYSA-N	301.390	1.844	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1COc2c(Cl)cccc21	814864530	FQPKNKCSKWNYSB-SECBINFHSA-N	312.753	1.604	50	20	DDGD	
COc1ccccc1C(=O)NN=Cc1cnn(CC(F)F)c1	814222036	VSQGUNBVJRSXJM-UHFFFAOYSA-N	308.288	1.921	50	20	DDGD	
COCc1ccccc1/C=C(\C)C=NNC(=O)C(=O)NC(C)C	814216939	JKCCTUADVDPVPV-PJSBQUSISA-N	317.389	1.863	50	20	DDGD	
COCCC(COC)=NNC(=O)Cc1c[nH]c2ccccc12	812225410	YOMJJUQBSLAWJK-UHFFFAOYSA-N	303.362	1.866	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)c1ccncc1)c1ccc(Cl)cc1	814682654	OLSFMRKJIIECCT-HNNXBMFYSA-N	319.748	1.404	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@@H]1C[C@H]2CC[C@H]1NC2	817919676	TYTWSOSPKLCNCQ-OPRDCNLKSA-N	303.391	1.523	50	20	DDGD	
CN(NC(=O)Cc1csc(NC(=O)C(C)(C)C)n1)C1CC1	819648984	ZZWMAZFTPMUJJS-UHFFFAOYSA-N	310.423	1.796	50	20	DDGD	
COC(=O)Nc1cccc(C(=O)NNC(=O)NCC2CC2)c1	728519232	ZSVMEVPMNRQGAP-UHFFFAOYSA-N	306.322	1.219	50	20	DDGD	
Cc1c(C(=O)NNc2ncncc2F)c(=O)oc2ccccc12	817078500	HSPRKSYFCAPWRC-UHFFFAOYSA-N	314.276	1.787	50	20	DDGD	
CC(=NNC(=O)c1cccc(OC(F)F)c1)c1cnnn1C	814834975	DDNHJEUZYYLPTO-UHFFFAOYSA-N	309.276	1.571	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCc1cnn(-c2ccccc2)c1	823982782	DGOHOBHFLUJQAE-ZDUSSCGKSA-N	302.378	1.149	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)c1cn(C)c2ccccc12	822228520	XSZHBANLVZGIPR-CQSZACIVSA-N	303.362	1.754	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CC(C)(C)CNC(=O)OC(C)(C)C	823384921	XICSERHRPHIOPG-LLVKDONJSA-N	317.430	1.271	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CO[C@H](C)C2)cc1C	828422620	VQQHAJDAFXWOIE-OLZOCXBDSA-N	321.377	1.190	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@H]1CCc2ccc(O)cc21	822683539	HEAHIHPALICJKZ-JTQLQIEISA-N	317.267	1.662	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)CC1CCN(C)CC1	822732450	YUTORUJYEXDTED-UHFFFAOYSA-N	323.368	1.787	50	20	DDGD	
C#C[C@@H](CC)NC(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	491766338	GYZVZOVSOVOMEI-JQWIXIFHSA-N	323.780	1.850	50	20	DDGD	
CN1C(=O)CC[C@@H]1CC(=O)NNC(=O)c1cc2ccccc2o1	829719444	LMOJSIJNTWSUCJ-LLVKDONJSA-N	315.329	1.205	50	20	DDGD	
CO[C@@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)c1ccccc1	826166292	DPCKJETZKACQIV-CQSZACIVSA-N	324.344	1.698	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@@H]21	491129638	HJPJQCLQRHGYEH-AHHMUSMRSA-N	305.378	1.194	50	20	DDGD	
Cc1ccsc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	826315979	ZYMKADOTNIAGOD-UHFFFAOYSA-N	300.347	1.994	50	20	DDGD	
COc1cccc(CN(C)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	827316081	YYPIZQWYDRXCBF-FZMZJTMJSA-N	321.377	1.293	50	20	DDGD	
CN(CCNC(=O)NNc1ccccn1)C(=O)OC(C)(C)C	491178117	CPCKCCGIWYGLJI-UHFFFAOYSA-N	309.370	1.575	50	20	DDGD	
CC(C)(C)OC(=O)NCCCCC(=O)NNc1ncccn1	496247998	QHEWGLAMLZODOR-UHFFFAOYSA-N	309.370	1.615	50	20	DDGD	
COC[C@@H](OC)C(=O)NNC(=O)c1ccc2ccccc2c1	822598672	PILMZEHHIYDZBF-CQSZACIVSA-N	302.330	1.262	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@H](OC)C2CCCC2)n1	823307272	YUXWZINLVUZJDL-NSHDSACASA-N	309.370	1.317	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1	496895529	XTDVKIHXJJORMZ-JTQLQIEISA-N	313.398	1.293	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccn(CC(C)C)n1	901291815	ONFWTFGMULEGDW-UHFFFAOYSA-N	315.468	1.011	50	20	DDGD	
C[C@H]1COCCC1=NNC(=O)NCCNC(=O)OC(C)(C)C	492653854	JVPGTLQQOXOLAV-JTQLQIEISA-N	314.386	1.223	50	20	DDGD	
CN(C)[C@@H](C(=O)NNC(=O)c1cccc(C#N)c1)c1ccccc1	728870889	JCFGAULGNWJHLM-MRXNPFEDSA-N	322.368	1.622	50	20	DDGD	
Cc1ccc([C@H]2OCCC[C@@H]2NCc2ccc(B(O)O)o2)cc1	585025920	GSYNDIZIYVZLHY-DOTOQJQBSA-N	315.178	1.278	50	20	DDGD	
CCn1c(O)nc2cc(C(=O)NNC(=O)C3CCCC3)ccc21	821750902	VRKUQCPLTLHOAK-UHFFFAOYSA-N	316.361	1.713	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2(C(=O)C3CC3)CC2)nc1	827420820	WWHKILPFUDEBLW-UHFFFAOYSA-N	303.318	1.071	50	20	DDGD	
CCC1(CNC(=O)/C(C#N)=C/c2cnn(C)c2)CCOCC1	490974522	NKYNLARITHRNMX-RIYZIHGNSA-N	302.378	1.650	50	20	DDGD	
CCOc1cc(Cl)ccc1NC(=O)C(=O)NNC(=O)OC	495408034	OPOMKKLGFVQDFG-UHFFFAOYSA-N	315.713	1.064	50	20	DDGD	
OB(O)[C@@H]1CCN(Cc2c(Cl)nc3cc(Cl)ccn23)C1	585077520	VIUDKTGDEREBHY-MRVPVSSYSA-N	313.981	1.690	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)N2CCOCC2)cc1C	901179851	PHFQLOFPSGCOAE-UHFFFAOYSA-N	305.334	1.157	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)N[C@H]2C=CCC2)c1	821092489	NGRBWSGEEULTMV-ZDUSSCGKSA-N	303.362	1.731	50	20	DDGD	
O=C(NCC1CC1)NNS(=O)(=O)c1cccc2cccnc12	734742376	ZBXNCZHJXIDGKG-UHFFFAOYSA-N	320.374	1.137	50	20	DDGD	
CCn1ccnc1C=NNC(=O)CCNC(=O)OC(C)(C)C	495083571	CTLMMGZSBDANDE-UHFFFAOYSA-N	309.370	1.268	50	20	DDGD	
OB(O)c1ccc(CN[C@@H](c2ccc(Cl)cc2)C2CC2)o1	585016296	LSZQCUACYYNZEH-OAHLLOKOSA-N	305.570	1.854	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccccc1N1CCOCC1	496336290	BJWZGZBGCGZGQS-UHFFFAOYSA-N	321.377	1.693	50	20	DDGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C(OC)OC	834418640	GGGPPNKZXFPFGN-FWLQQBITSA-N	304.346	1.813	50	20	DDGD	
C#CCCCC(=O)NN=Cc1ccc(N(C)CCOC)nc1	901325417	MSTDDGWLBFORAT-UHFFFAOYSA-N	302.378	1.418	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)OCc2nc(C(C)(C)C)n[nH]2)cn1	837972505	VHYSRKWUVZTBAU-VZUCSPMQSA-N	314.349	1.486	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)N[C@@H]1CC12CCNCC2	831173907	UIPBETMXZFBXCL-CQSZACIVSA-N	316.405	1.092	50	20	DDGD	
OB(O)c1ccc(CNC2CCN(C3CCCCC3)CC2)cc1	585026289	KPNBQDCKWSTPAZ-UHFFFAOYSA-N	316.254	1.253	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@@H]1CC[C@H](C(N)=O)C1	837134205	DEXGQXLBYRUPQZ-YIZRAAEISA-N	305.216	1.566	50	20	DDGD	
CSCc1cnc(/C=C(/C#N)S(=O)(=O)N(C)C)s1	834438538	UKNWXBXRAKDFEV-WTKPLQERSA-N	303.434	1.762	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cc(F)ccc1N1CCOCC1	732142434	BIQXLJUOMQALNJ-UHFFFAOYSA-N	321.352	1.223	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@@H]1CCN(C2CC2)C1	734285394	MHZYZNTZJDEQPF-GFCCVEGCSA-N	317.393	1.567	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NNc1cccc(C(=O)O)c1	833537257	ZEIRHJGUSLYWDV-MFKMUULPSA-N	308.334	1.412	50	20	DDGD	
C=CC[C@@H](NC(=O)NNc1nccc(OC)n1)c1ccncc1	734682599	FHUZISPVPSGUJB-GFCCVEGCSA-N	314.349	1.824	50	20	DDGD	
CC(C)(C)OC1CC(CCNCc2ccccc2B(O)O)C1	585037519	ALSDYQWLQPFFHK-UHFFFAOYSA-N	305.227	1.440	50	20	DDGD	
CC(C)[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)c2ccccc21	584981035	AHRTWIWDCTWTNI-INIZCTEOSA-N	309.174	1.766	50	20	DDGD	
CCc1ncncc1C(=O)NNc1nc(-c2ccncc2)no1	732065601	QTBJDFNSJSEGFR-UHFFFAOYSA-N	311.305	1.241	50	20	DDGD	
Cc1c(NNC(=O)NC[C@]2(C)CCOC2)cccc1[N+](=O)[O-]	733653033	BPUVJOPRFISTLL-AWEZNQCLSA-N	308.338	1.956	50	20	DDGD	
CO[C@@](C)(C(=O)NNc1ccc(C#N)cc1)C(=O)OC(C)(C)C	830776362	HHFZRHYUQXJXFX-INIZCTEOSA-N	319.361	1.748	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21)c1nc2ccccc2s1	913818278	VVTSAXXVRPPUDW-UPZJHPNMSA-N	315.354	1.282	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(C)n(-c2cnn(C)c2)c1C	831854566	YXJKONLCKKZNQI-UHFFFAOYSA-N	318.381	1.134	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2C[C@@]23CCOC3)cc1F	837057813	JERJJFRWXZHHKV-IAQYHMDHSA-N	308.309	1.482	50	20	DDGD	
CC[C@H]1CCC[C@@H]1C(=O)OCC(=O)NNC(=O)c1ccccc1	837844895	WEMHSLRYGWJPJT-JSGCOSHPSA-N	318.373	1.817	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(C(=O)O)c1)C1=CCN(C)CC1	833520541	FLTDHPONTBJMMR-NSHDSACASA-N	318.377	1.661	50	20	DDGD	
CSCc1ccc(C(=O)NNc2ncnc3[nH]cnc23)cc1	743469611	VBTPAPNMFIYCQD-UHFFFAOYSA-N	314.374	1.973	50	20	DDGD	
CC1CCN(C[C@H](C)NS(=O)(=O)CBr)CC1	849468046	CKYXDASEULVYEW-JTQLQIEISA-N	313.261	1.379	50	20	DDGD	
NCC[C@@H](NC(=O)NNC(=O)c1ccc(Cl)cc1)C(F)F	842004732	HGKCHQXDOSPHMV-SECBINFHSA-N	320.727	1.267	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	842114390	NJDAOLVVKVPGLS-RYUDHWBXSA-N	316.398	1.173	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CNc1ccccc1Cl	843972647	HIGRAGJAGDYPAY-ZJUUUORDSA-N	311.769	1.324	50	20	DDGD	
Cn1c(NNC(=O)[C@@H]2CCc3nccn3C2)nc2ccccc21	848380129	ZGFGXKHBZPNDLO-LLVKDONJSA-N	310.361	1.476	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1=NO[C@@H](c2ccccc2)C1	843642789	GXPVPNWHSNARHZ-ZKYQVNSYSA-N	317.345	1.076	50	20	DDGD	
Cc1ccsc1S(=O)(=O)NNC(=O)NC1CCCCC1	741648253	YGFSHVSIEVZRAY-UHFFFAOYSA-N	317.436	1.882	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)[C@@H]1Cc2ccccc21	742072286	CDVWTLHKIUAMDQ-CYBMUJFWSA-N	307.313	1.915	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@]1(C)C[C@@H]1c1ccccc1	840602185	AULCIZGMKDTHKU-PPHDSNJXSA-N	318.373	1.669	50	20	DDGD	
C[C@@H]1CC[C@H](CC(=O)NNc2ccccc2S(N)(=O)=O)C1	842261840	OQINRQBNQUHYTI-MNOVXSKESA-N	311.407	1.603	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	843642108	VNWHFMHUMYRPAJ-ZONGXCAESA-N	304.346	1.281	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C(C)(C)C2CCC(O)CC2)n1	841399976	PXSFSWWKBXRANP-UHFFFAOYSA-N	322.409	1.814	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1nc(O)c(C)c(CC)n1	849921897	YDEIZLTVEWZRDM-QMMMGPOBSA-N	312.395	1.091	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1c[nH]c2ccccc12)c1cnn(C)c1	749873905	GNMSXALPOIGPQF-JTQLQIEISA-N	311.345	1.466	50	20	DDGD	
Cc1c(NNC(=O)CCOC[C@H]2CCCO2)cccc1[N+](=O)[O-]	748667010	UYYCUIJVOMNGJM-GFCCVEGCSA-N	323.349	1.932	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(C(F)(F)F)s1	843657775	RVZLBBXGLUAYNJ-RNFRBKRXSA-N	322.308	1.953	50	20	DDGD	
NC(=O)C(=O)NN=Cc1ccc(Br)cc1Cl	743420962	LWNTXKVNXQYIIL-UHFFFAOYSA-N	304.531	1.038	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)c1cccc([N+](=O)[O-])c1	916245537	HAYCJQFZEIJOKK-UHFFFAOYSA-N	301.306	1.709	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCc3cnc(C)n3C2)o1	845738051	LNXYRMZEWGRFBZ-NSHDSACASA-N	302.334	1.117	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](c1ccc(Cl)cc1)N(C)C	847687117	MLXKHOCCWZZIRW-GFCCVEGCSA-N	312.801	1.635	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(-n2cccn2)cc1	843642971	BPEYNUNDIBXDDO-RISCZKNCSA-N	314.345	1.058	50	20	DDGD	
CCc1cc(C(=O)NNc2nc3ccccc3n2C)c(C)nn1	848380551	KDYAOYFSWWONBV-UHFFFAOYSA-N	310.361	1.991	50	20	DDGD	
COc1cccc(F)c1C(=O)NNC(=O)NCc1ccco1	746166920	KXRGZAFZGZCVAU-UHFFFAOYSA-N	307.281	1.572	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1nc2ccccc2[nH]1	843643222	CFXSUKLXHLLHHU-MNOVXSKESA-N	316.361	1.068	50	20	DDGD	
CCC[C@H](O)C(=O)NNC(=O)[C@@H](C)Oc1ccc(OCC)cc1	929295884	JNSDIJMJXUVOHA-RISCZKNCSA-N	324.377	1.161	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CS1	840419737	XMDMZKDEDIHVBA-PSASIEDQSA-N	324.362	1.433	50	20	DDGD	
CC1(C)CC(=NNC(=O)c2cccc(S(C)(=O)=O)c2)CO1	841618118	PIZFRQWTFDPGCZ-UHFFFAOYSA-N	310.375	1.375	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)COc2ccccc2C#N)cn1	920984138	AXIMNCLMYHAHCI-UHFFFAOYSA-N	311.345	1.694	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNc1ncc(Br)cn1	848322120	QRIOUFXMGWZQRR-POYBYMJQSA-N	301.144	1.107	50	20	DDGD	
CC(C[C@H]1CCOC1)=NNC(=O)COc1ccccc1[N+](=O)[O-]	751520437	FLFKUILOMYPUOO-GFCCVEGCSA-N	321.333	1.892	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)c2c[nH]c3ccccc23)C1	858985509	GCUCHOCWBSHKEJ-MGCOHNPYSA-N	302.334	1.289	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2cnc(N(C)C)s2)ccn1	755709760	RGWBEWIXWKOIMT-UHFFFAOYSA-N	318.406	1.434	50	20	DDGD	
CC(C)N(C)CC(=O)NNC(=S)NCCc1cccs1	753075553	AUGXADXJZCCFTC-UHFFFAOYSA-N	314.480	1.126	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H]2CCN3CCCC[C@@H]23)c1	858191168	VZZIOPNZDLWLFI-RYUDHWBXSA-N	322.434	1.627	50	20	DDGD	
CN1CC[C@@H](C(=O)NNC(=O)c2ccncc2)c2ccccc21	750716131	XYETZZTVOSWEIC-CQSZACIVSA-N	310.357	1.466	50	20	DDGD	
CC1(CCNC(=O)NNc2ncnc3ccsc23)OCCO1	759343053	NZPAAVSVEDNSGM-UHFFFAOYSA-N	323.378	1.471	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1cc2c(cc1F)CCC(=O)N2	755739003	CTFYDGNOJWZDDT-UHFFFAOYSA-N	320.324	1.663	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1ccc(C#N)c(Cl)c1	753318841	WBGXEXSLRDMBHQ-AWEZNQCLSA-N	302.765	1.752	50	20	DDGD	
Cc1noc(C)c1NC(=O)NNC(=O)c1ccc2c(c1)OCO2	756287389	UATJEWXNXADKDA-UHFFFAOYSA-N	318.289	1.487	50	20	DDGD	
O=C(NCCO[C@H]1CCOC1)NNc1c(F)cc(F)cc1F	927528809	WITJFBAJNNOXLH-VIFPVBQESA-N	319.283	1.536	50	20	DDGD	
O=C(CO)NNC(=O)c1ccc(Oc2ccccc2Cl)cc1	753442697	MNXZUPARSRRSOQ-UHFFFAOYSA-N	320.732	1.886	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1ccc([N+](=O)[O-])[nH]1	755194041	LOMNKWIEYPNSFJ-UHFFFAOYSA-N	316.199	1.489	50	20	DDGD	
C[C@H](C=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1	920379959	CTZLPNBXCYIRDM-YPMHNXCESA-N	309.391	1.262	50	20	DDGD	
CCCN1CC[C@@H](NC(=O)NNC(=O)Cc2ccccc2F)C1	852630887	FEIHAARQTQYGET-CYBMUJFWSA-N	322.384	1.183	50	20	DDGD	
CC(C)[C@H](Cc1ccc(F)cc1)NCC(=O)NNC(=O)C1CC1	754228087	KJHCTWVQBATZSX-HNNXBMFYSA-N	321.396	1.540	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCc2cncn2C)c1C	855625091	KKNMGZBDUPUMIO-UHFFFAOYSA-N	316.361	1.591	50	20	DDGD	
C[C@]1(CNC(=O)Cn2cc(Cl)cn2)C[C@H]1Br	857389115	YFNNNXQANQIDHS-PSASIEDQSA-N	306.591	1.826	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C1CCC(F)(F)CC1	854283397	UUIWAZAFJTWIJJ-UHFFFAOYSA-N	323.409	1.686	50	20	DDGD	
CCc1ocnc1C(=O)NNc1ccc(C(F)(F)F)nn1	755184402	WEAFHTQQENVMCT-UHFFFAOYSA-N	301.228	1.803	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(OC)cc1OC	929209798	RFDTVDBQNXLTKE-UHFFFAOYSA-N	305.334	1.660	50	20	DDGD	
C[C@]1(CNC(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1Br	857393785	MZAGOAHZQLYKSL-LDYMZIIASA-N	300.156	1.017	50	20	DDGD	
Cc1ncc(S(=O)(=O)NC[C@@]2(C)C[C@H]2Br)n1C	859234033	KSRGWYISHVLKPM-PSASIEDQSA-N	322.228	1.180	50	20	DDGD	
CN(Cc1nc[nH]n1)C(=O)NC[C@]1(C)C[C@@H]1Br	856897202	KVFHXNGLRZVTNY-XVKPBYJWSA-N	302.176	1.120	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2c[nH]c3ncccc23)o1	753083675	QNPFXWSQUTWEBD-UHFFFAOYSA-N	320.330	1.088	50	20	DDGD	
CC(=NNC(=O)c1nnc(-c2ccccc2)o1)c1cnn(C)c1	920828481	ALFNAJMHIRFAAY-UHFFFAOYSA-N	310.317	1.624	50	20	DDGD	
C[C@]1(CNC(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H]1Br	857399652	SGPKJVHOPULCAB-GMSGAONNSA-N	317.143	1.081	50	20	DDGD	
C[C@]1(CNC(=O)N2CCO[C@@H](CF)C2)C[C@H]1Br	856893811	QDKKWCJGKJYCDA-IQJOONFLSA-N	309.179	1.540	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@H]2CC2(Cl)Cl)o1	752363148	RSWYFDFDRNYOKG-SSDOTTSWSA-N	306.149	1.726	50	20	DDGD	
Cc1ncc(C=NNC(=O)[C@@H]2COc3ccccc3O2)n1C	853261261	HMOADECMFHPHHZ-AWEZNQCLSA-N	300.318	1.019	50	20	DDGD	
C[C@@H]1CCCC[C@H]1CNC(=O)NNC(=O)c1cccc(F)n1	852710247	LFAMKKCRTZGXCS-MNOVXSKESA-N	308.357	1.991	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCCN2C=O)c1C	854186641	QMMKLKUBAAHSIK-ZDUSSCGKSA-N	320.418	1.242	50	20	DDGD	
C[C@H](CCN(C)C)NC(=O)NC[C@]1(C)C[C@@H]1Br	856838899	FJSWDIGCPXMFJZ-SCVCMEIPSA-N	306.248	1.799	50	20	DDGD	
CCc1nc(C=NNC(=O)[C@@H]2COc3ccccc3O2)cs1	755483455	FVNUYHWCLVHPIZ-ZDUSSCGKSA-N	317.370	1.996	50	20	DDGD	
Cc1nonc1CNC(=O)NC[C@]1(C)C[C@H]1Br	856956200	PDMCJNIALOPGTL-SCZZXKLOSA-N	303.160	1.351	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)N[C@H]1CCCOCC1	853963982	DKYUJIUIVSBQCR-VIFPVBQESA-N	312.301	1.929	50	20	DDGD	
C[C@@H](C(=O)NNC(=S)NCC1CCC1)C(=O)OC(C)(C)C	855092341	AQPJZVUSWWVUTM-VIFPVBQESA-N	315.439	1.260	50	20	DDGD	
C[C@]1(CNC(=O)COC[C@H]2CCCO2)C[C@H]1Br	857400967	KCXBHBPZMGEIIY-CKYFFXLPSA-N	306.200	1.472	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccc(C)cn2)c1O	753288990	WULCTNBCJGALOP-UHFFFAOYSA-N	301.302	1.179	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cccc2c1OCC2	861379068	CAMBSPCJGBKJRG-GXSJLCMTSA-N	305.334	1.199	50	20	DDGD	
C[C@H](NNC(=O)CCc1cccc2c1OCO2)C(F)(F)F	862317581	HIKYNRIZZJPZCQ-QMMMGPOBSA-N	304.268	1.920	50	20	DDGD	
COCc1cncc(C(=O)NNCC(F)(F)C(F)(F)F)c1	863099598	IIBWRQOIJFZSBX-UHFFFAOYSA-N	313.226	1.660	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)C1(F)CCOCC1	864473206	YYXKFGTVEPKGHZ-UHFFFAOYSA-N	324.396	1.869	50	20	DDGD	
CC1(C)CCc2sc(NC(=O)c3cccc(B(O)O)c3)nc21	863884182	BCFRKXRYJHLSMH-UHFFFAOYSA-N	316.191	1.299	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)[C@@H]2CCC(=O)N2)c(Cl)c1	863151773	TWBPYBMFCZWGIE-LBPRGKRZSA-N	309.753	1.467	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNc2ccc(-n3ccnc3)nn2)[C@H]1C	861694825	YBJLPJARALFVMB-KZWBYHQPSA-N	316.365	1.165	50	20	DDGD	
Cc1csc(CCC(=O)NNC(=O)Cc2cccnc2)n1	766602714	AROXQVANXAJBCU-UHFFFAOYSA-N	304.375	1.169	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1cnc(C)s1	761255835	RJFQOWULCZZGTH-JTQLQIEISA-N	310.423	1.260	50	20	DDGD	
O=C(Cc1ncccc1F)NNCC(F)(F)C(F)(F)F	863100240	RMLHDANIPASJNQ-UHFFFAOYSA-N	301.190	1.582	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1nc2c(s1)CCCC2	761262309	YPQFMMFUPSMFPV-UHFFFAOYSA-N	308.407	1.788	50	20	DDGD	
Cc1cc(C)c(/C=C\C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1C	862450912	DHZORRCATQBRLS-KXQLTZBTSA-N	315.373	1.051	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@@H](O)Cc1ccccc1	863098559	NMWOGUOSZRLZFK-VIFPVBQESA-N	312.238	1.408	50	20	DDGD	
CC[C@@H](SC)C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	767674101	HJIZGRBJBBJNTG-GFCCVEGCSA-N	324.402	1.441	50	20	DDGD	
CC(C)N1CCN(C(=O)[C@H](Br)C(C)(C)C)CC1=O	768412695	YSMIYQMLTIFKFD-NSHDSACASA-N	319.243	1.875	50	20	DDGD	
Nc1cc(C(=O)NN=C2CCN3CCC[C@@H]23)cc([N+](=O)[O-])c1	765562439	HGKKPGKSJRBKOV-ZDUSSCGKSA-N	303.322	1.131	50	20	DDGD	
COc1ccc(NNC(=O)c2ccncc2F)c([N+](=O)[O-])c1	768332156	OQHXLBJAQMUDTR-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
Cc1cc(=NNC(=O)Nc2cnn(CC(F)(F)F)c2)cc[nH]1	860654789	VYHZYMRJHLMKHO-UHFFFAOYSA-N	314.271	1.719	50	20	DDGD	
C[C@H](NNC(=O)[C@H]1C[C@@H](c2ccccc2)OC1=O)C(F)(F)F	862319434	FBIKVAFGBMJPFH-GDPRMGEGSA-N	316.279	1.862	50	20	DDGD	
CNc1c(C(=O)NNC(=O)c2ccc(C)o2)cccc1[N+](=O)[O-]	765578243	GMBQDUPQOCCMKP-UHFFFAOYSA-N	318.289	1.613	50	20	DDGD	
O=C1CCCN1NS(=O)(=O)c1ccc(CCCCl)cc1	867595163	YSDMVEGCBZVHJG-UHFFFAOYSA-N	316.810	1.674	50	20	DDGD	
Cc1c(NCC(C)(C)C)cccc1C(=O)NNC(=O)C(C)(C)O	861205531	KMCGGBSYOXPFMK-UHFFFAOYSA-N	321.421	1.985	50	20	DDGD	
CCCC[C@H](NS(=O)(=O)CC(C)(C)CCl)C(=O)OC	867107954	VPVSWRJSJUUAOS-JTQLQIEISA-N	313.847	1.903	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC2(CC1)OCCO2	866470465	UMOGEQSETFCBRI-UHFFFAOYSA-N	311.831	1.420	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)CCc1ccccc1O)C1CC1	863866072	HPIPDESYUDFHEQ-OAHLLOKOSA-N	306.362	1.287	50	20	DDGD	
NC(=O)C(=O)NN=C1CCCc2ccc(Br)cc21	769567658	UHXZNUXZYPAEME-UHFFFAOYSA-N	310.151	1.091	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@H]2CCSC2)cc1	761812606	LVNPWWBPMGIZRR-NSHDSACASA-N	310.444	1.988	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)c2cc(Cl)ccc2O)CCC1=O	763496907	NBUUNPJKFHJRQY-IUCAKERBSA-N	324.764	1.812	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)N[C@@H]1CC12CCC2	873259606	HVZYAIIINSYFME-GFCCVEGCSA-N	313.361	1.150	50	20	DDGD	
CCO[C@@H](CC(=O)NNC(=O)c1ccc(C#N)cc1)C(C)C	760474663	PTAYUHIYYNWGMW-AWEZNQCLSA-N	303.362	1.770	50	20	DDGD	
CCC[C@H](CC)C(=O)NNc1nccc(N2CCOCC2)n1	879172861	VPPKKFFPMSWZFJ-LBPRGKRZSA-N	307.398	1.583	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc2c(c1)CCN2C(C)=O	878082430	AUODWSDNNZLPPK-UHFFFAOYSA-N	306.322	1.330	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNC(=O)NC1CCCCC1)C(C)C	873771692	IALMSLXFHVFZRN-LBPRGKRZSA-N	313.398	1.485	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc3nsnc3c2)cc1	776706259	QOYSZQJGKQEIHH-UHFFFAOYSA-N	323.337	1.638	50	20	DDGD	
O=C(CCCC(=O)C1CC1)NNC(=S)Nc1ccccn1	874956111	LJWNUITZCOCGGF-UHFFFAOYSA-N	306.391	1.549	50	20	DDGD	
Cn1cc(/C=C/C(=O)NNc2ccnc(Br)c2)cn1	771537370	LOWOIZWNGSRBTC-NSCUHMNNSA-N	322.166	1.734	50	20	DDGD	
O=C(NNC(=O)c1nccc(Cl)c1F)NC1CCCC1	1116682255	NDPDFLMTAZKVTP-UHFFFAOYSA-N	300.721	1.761	50	20	DDGD	
O=C(CNC(=O)c1cccc(O)c1)NNc1ncccc1Cl	779377056	HMPBXGDMNHWTTD-UHFFFAOYSA-N	320.736	1.314	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cccc(OCCN(C)C)c1	878281116	ISPVIYZHNJXOED-UHFFFAOYSA-N	310.354	1.362	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)c1cncn1-c1ccccc1	1116242756	BRERYJHQVBMCRA-GFCCVEGCSA-N	316.361	1.306	50	20	DDGD	
CC(C)[C@]1(C)C[C@H]1C(=O)OCC(=O)NNC(=O)c1ccccc1	775071733	DVIBLUCVSBQJCT-GUYCJALGSA-N	318.373	1.673	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C2(F)CCCC2)c1	771869687	ZMZNTJDGLGBHOT-UHFFFAOYSA-N	310.325	1.747	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CN3CCN2C[C@@H]3C)c(Cl)c1	1123897323	DCKOWJOKFBZECU-FZMZJTMJSA-N	308.813	1.480	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@H]1CSc2ccccc2O1	887150573	OWWRYQXEXVTDQN-LBPRGKRZSA-N	318.398	1.881	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)C(C)(C)c2cccnc2)n1	770550220	RLDIFFRFYWEXPE-UHFFFAOYSA-N	315.377	1.020	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCC[C@H]1c1ccc(F)cc1	779815784	AMMFDEYFGIEDMP-LBPRGKRZSA-N	307.325	1.921	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1)C(C)C	770218893	BZANNKVGXCZNBZ-MFKMUULPSA-N	312.341	1.411	50	20	DDGD	
CO[C@@H](CNS(=O)(=O)CCCCl)Cc1ccccc1	882230869	ILLNYVBFWOTWNT-CYBMUJFWSA-N	305.827	1.792	50	20	DDGD	
CC[C@@H](CNS(C)(=O)=O)NC(=O)c1cccc(CCl)c1	1120655238	QFSCNBSZUNADRZ-LBPRGKRZSA-N	318.826	1.483	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H]1CCC[C@H](C(N)=O)C1	787220449	ALNSMDZTOOPRNS-WDEREUQCSA-N	319.361	1.208	50	20	DDGD	
COc1cccc(NNC(=O)CCOc2ccc(C=O)cc2)n1	781024928	JLYUOALTOJQHOU-UHFFFAOYSA-N	315.329	1.815	50	20	DDGD	
C[C@H]1CN(C(=O)COC(=O)/C(C#N)=C\c2ccccc2)CCO1	785347841	HXEMSWYEGGDOLV-GRRFOWRYSA-N	314.341	1.384	50	20	DDGD	
COC(=O)NNC(=O)Nc1c(C(F)(F)F)nn(C)c1Cl	889188821	VNICHQAAYHNYQK-UHFFFAOYSA-N	315.639	1.485	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cccc(OCCCOC)c1	887144647	VMPTWZAGEWTCBJ-UHFFFAOYSA-N	318.373	1.666	50	20	DDGD	
COc1ccc(NNC(=O)C[C@H](C)n2nc(C)cc2C)nc1	781516668	OOQRPCXOFCFZOQ-LBPRGKRZSA-N	303.366	1.998	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C(=O)c2cc(F)ccc2C)n1	782001919	KLXXCMGUBNZNRH-UHFFFAOYSA-N	318.308	1.567	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](C)[C@H]1OCCc2sccc21	887149177	MHDFCGDEOVQXRC-IAQYHMDHSA-N	320.414	1.949	50	20	DDGD	
Cc1cscc1CNC(=O)NNC(=O)Cc1ccncc1	787335487	SFZHSJYKMBMVCP-UHFFFAOYSA-N	304.375	1.525	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccnc(C2CC2)c1	783036338	AUVALTQXFYMAKB-UHFFFAOYSA-N	302.256	1.465	50	20	DDGD	
C[C@@H]1CCCC(=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)[C@@H]1C	781123043	PXJAGFQSJDMHOG-GMTAPVOTSA-N	301.412	1.285	50	20	DDGD	
O=C(NC[C@H]1CCC=CO1)NNC(=O)c1cccc(Cl)c1	780747431	DQGNCQLATLRJJS-GFCCVEGCSA-N	309.753	1.977	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)CC1	780927285	HMZOYTCRMOIKGJ-UHFFFAOYSA-N	316.338	1.637	50	20	DDGD	
CN1CCC[C@H]1c1cc(C(=O)NNc2ncccc2F)n[nH]1	897726066	HHGHAMRMUDYBIP-LBPRGKRZSA-N	304.329	1.467	50	20	DDGD	
Cc1c(C(=O)NNC(=S)NC(C)(C)C)cnn1CC(C)C	899996684	QEQZMRZQYSKRJE-UHFFFAOYSA-N	311.455	1.755	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCCOc3cc(F)ccc32)CC1	790174470	PXRTYJRZIZWBDI-UHFFFAOYSA-N	320.368	1.659	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2ccn(-c3ccccc3)n2)CC1	790173639	LRWBRDWJFVVHII-UHFFFAOYSA-N	312.377	1.163	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])s1	791069941	APDWNMCPGOCJIE-UHFFFAOYSA-N	324.293	1.651	50	20	DDGD	
COC(=O)c1ccc(Cl)c(/C=C(/C#N)S(N)(=O)=O)c1	799894096	NRHCAFAZINJJED-UITAMQMPSA-N	300.723	1.280	50	20	DDGD	
N#CCC1(CNC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1	797563603	REYKNWZHIOLLAR-UHFFFAOYSA-N	317.305	1.233	50	20	DDGD	
CN(CCCOCc1ccccc1)CC(=O)NNC(=O)C1CC1	799200846	NLYPITYBVGVTDO-UHFFFAOYSA-N	319.405	1.083	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1c(C)noc1C(F)(F)F	798306116	UROMRVMNILWQFH-UHFFFAOYSA-N	308.285	1.297	50	20	DDGD	
CC(=NNC(=O)c1ccccn1)c1cccc(N2CCC2=O)c1	794856753	PWGQGYPXECUVDW-UHFFFAOYSA-N	308.341	1.972	50	20	DDGD	
CC(=NNC(=O)C(=O)NC(C)C)c1ccnn1-c1ccccc1	799106824	OKTMDTXPPJQQEH-UHFFFAOYSA-N	313.361	1.237	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1cccc2nn[nH]c12	798312690	IOSXCZZYNOMSIC-UHFFFAOYSA-N	310.317	1.733	50	20	DDGD	
COc1cc(CC(=O)NNc2cc(C)ncn2)cc(OC)c1O	790722949	CWKYWFLUMLQFHA-UHFFFAOYSA-N	318.333	1.194	50	20	DDGD	
CCc1cc(C(=O)NN=c2sc3ccccc3n2C)nn1C	1320828282	NYSBNHIJBRQTCT-UHFFFAOYSA-N	315.402	1.781	50	20	DDGD	
NC(=O)NNc1nc(-c2cc3ccccc3oc2=O)cs1	1321383744	NFSSAPGHXVKWGH-UHFFFAOYSA-N	302.315	1.912	50	20	DDGD	
CC(F)(F)C1(C(=O)NNC(=O)Cc2ccccc2F)CC1	1328825632	ZRFYIWIGQLPQEZ-UHFFFAOYSA-N	300.280	1.951	50	20	DDGD	
CCOC(=O)c1cc(C(=O)NNC(=S)NC(C)C)[nH]c1C	1330505248	UYFIFPHEKMGEIO-UHFFFAOYSA-N	312.395	1.017	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2ncccc2Cl)n1	1253032901	BQLSLELXQVFMEL-UHFFFAOYSA-N	305.725	1.247	50	20	DDGD	
CC[C@@]1(C(=O)NNc2ccc(C(C)(C)C)nn2)CCNC1=O	1330690764	JYNRDKFAKNBKLT-OAHLLOKOSA-N	305.382	1.134	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1n[nH]c2c1CCCC2)c1cccs1	1252010647	OTCHJZIWARFDLX-VIFPVBQESA-N	318.402	1.915	50	20	DDGD	
O=C(NC1(C2CCCCC2)CC1)c1cc(B(O)O)ccc1F	1334842295	CLVCHMSFEDQWHK-UHFFFAOYSA-N	305.158	1.348	50	20	DDGD	
Cc1ccn(-c2cccc(C(=O)NNc3ncc(F)cn3)c2)n1	1336123357	OMRQTSSYLKKGTB-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
COCC(=O)NCCC(=O)OC[C@H](CBr)C1CC1	1351459181	RAXPBFGFJIQJIB-JTQLQIEISA-N	322.199	1.103	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2ncoc2[C@@H]2CCCO2)c1	1351628291	OLQHJKPIHCILPJ-VIFPVBQESA-N	321.358	1.971	50	20	DDGD	
C[C@]1(C(=O)N2CCCN3CCC[C@H]3C2)C[C@@H]1Br	1353989313	JOMFSSYZWVUQPB-GVXVVHGQSA-N	301.228	1.857	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)c1ccc(-c2nn[nH]n2)n1C	1605864076	NCPVCRDBCSEDKZ-UHFFFAOYSA-N	315.312	1.410	50	20	DDGD	
Cc1sc(C(=O)NNc2ccc(C(=O)O)c(F)c2)nc1O	1608059557	NQYHHLWGFFIKRF-UHFFFAOYSA-N	311.294	1.751	50	20	DDGD	
Cn1cc2c(n1)CCC[C@H]2C(=O)NNc1cccc(C(=O)O)c1	1608123291	QFIUDGWSTGYTIF-GFCCVEGCSA-N	314.345	1.682	50	20	DDGD	
CC(C)(C(=O)O)C(=O)COC(=O)/C(C#N)=C/c1ccc(O)cc1	1609648041	JPFRJPXLXNKBBS-YRNVUSSQSA-N	317.297	1.522	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CCCC23OCCO3)cc1C(=O)O	1600462650	MHBZKCMOUCRMAG-ZDUSSCGKSA-N	320.345	1.680	50	20	DDGD	
Cc1cccnc1/C=C\C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1609436873	TUDBYDANOCYRBC-HJWRWDBZSA-N	321.344	1.727	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)N[C@H]1C[C@H]2CC[C@H]1C2	1606858065	IQFKVBACYYMBMU-QXEWZRGKSA-N	314.353	1.076	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNc2ccc(CC(=O)O)cc2)CCC1=O	1604648221	JLVBKRKCYCMBLI-CMPLNLGQSA-N	304.346	1.762	50	20	DDGD	
O=C(O)c1cnc(C(=O)NNc2ccc(F)cc2Cl)cn1	1608966140	KIYUPHKSLMEMKV-UHFFFAOYSA-N	310.672	1.724	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)c1[nH]nnc1-c1ccccc1	1608948648	RVUAQROIGNKNMC-UHFFFAOYSA-N	323.312	1.927	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1ccn(-c2ccncc2)n1	1601561620	RHCWEYDBAWNRFU-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
O=C(NN=Cc1cc(Cl)cs1)[C@@H]1CN2CCC[C@H]2CO1	1549321941	WKSYBSNAMIYIAF-JQWIXIFHSA-N	313.810	1.715	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@@H]2C=NNC(=O)[C@@H]2CCO[C@@H]2C)cn1	1552454978	TYMXETBJMIEFMY-QHSBEEBCSA-N	320.393	1.508	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@@H]2C=NNC(=O)c2cc[nH]n2)cn1	1552451962	KLOZXKPPOHCKRP-ZWNOBZJWSA-N	302.338	1.120	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C[C@@H]2CCC[C@H]2N)cc1C	1579727629	UXZZYNVBADTYRT-DZGCQCFKSA-N	319.405	1.347	50	20	DDGD	
CCCC[C@H](N)C(=O)NNC(=O)c1cc(Br)c[nH]1	1577410436	GHKWHANTFYZQJH-QMMMGPOBSA-N	317.187	1.056	50	20	DDGD	
N#Cc1cccc(NNC(=O)[C@H]2NCCOc3ccccc32)c1	1580078024	IBZKAYRAVKQYJM-INIZCTEOSA-N	308.341	1.725	50	20	DDGD	
CCC(CC)(C(=O)O)C(=O)NNC(=O)Cc1ccccc1F	1589475813	MBUJAHPSKMTYSG-UHFFFAOYSA-N	310.325	1.407	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)C2(C)COC2)C1	1841132254	XMGACOKEBYBEJT-LLVKDONJSA-N	314.813	1.244	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NNc1cccc(C(=O)O)c1C	1589072668	OVTPKVXVAZFZLN-CQSZACIVSA-N	319.361	1.537	50	20	DDGD	
CC(C)O[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843364277	AQQHLBXMUCHVHM-MNOVXSKESA-N	320.792	1.538	50	20	DDGD	
CC(C)(C)OC(=O)N1CCCC(=NNC(=O)C(=O)O)CCC1	1590006536	ZIUOZVXHILGBNZ-UHFFFAOYSA-N	313.354	1.354	50	20	DDGD	
O=C(O)C1(C(=O)NNC(=S)Nc2cccc(Cl)c2)CC1	1594864548	HAYCALUWSOINSF-UHFFFAOYSA-N	313.766	1.522	50	20	DDGD	
CC/C=C(/C)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1590535378	PCRZZXGGAYFJNW-VURMDHGXSA-N	305.342	1.778	50	20	DDGD	
CCO[C@@H]1CCC[C@H]1NC(=O)NNc1cccc(C(=O)O)c1	1596974914	KJVXIGVMPUBRFQ-CHWSQXEVSA-N	307.350	1.969	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCO[C@@H](C(=O)O)C1	1594601669	PJRBIVTYFDKETG-LWMSPQMPSA-N	304.277	1.045	50	20	DDGD	
COc1cc(C(=O)O)ccc1C=NNC(=O)Cc1cccnc1	1776043044	BPCQBYUWBGWCPR-UHFFFAOYSA-N	313.313	1.481	50	20	DDGD	
C[C@H]1C(=NNC(=O)c2cnsn2)CC[C@@H](C(=O)O)C1(C)C	1776105072	NIPQGMFSRHRGEE-YUMQZZPRSA-N	310.379	1.781	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl)[C@H]1CCCO1	1796806081	PYFJXZRCDQWNBT-IYKVGLELSA-N	318.776	1.338	50	20	DDGD	
Cc1nnc(NNC(=O)c2ccc(-c3ccccc3)cc2)[nH]c1=O	11335198	NDBJIAQTRDJZDZ-UHFFFAOYSA-N	321.340	1.897	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)c1ccccc1	14283168	LCBHDLPRRKJBLK-ABAIWWIYSA-N	312.325	1.676	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Cc2cccc([N+](=O)[O-])c2C)n1	160425916	JUNZJIBSRJNVOB-UHFFFAOYSA-N	315.333	1.996	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2nc(Cl)ccc2Cl)[nH]n1	153320268	QALDMSVLKCHGBH-UHFFFAOYSA-N	314.132	1.495	50	20	DDGD	
Cc1cc(C)n(-c2cccc(NC(=O)NNC(=O)CCO)c2)n1	155767107	CVWPHWZYEGVBLM-UHFFFAOYSA-N	317.349	1.024	50	20	DDGD	
O=C(NNc1ncccn1)Nc1nnc(C(F)(F)F)s1	154073796	PPFYZTQIHPIVBW-UHFFFAOYSA-N	305.245	1.496	50	20	DDGD	
CS(=O)(=O)c1ccc(NNC(=O)[C@@H]2C[C@H]2c2ccco2)cc1	156456488	MVIFMCCDOUDLPA-CHWSQXEVSA-N	320.370	1.930	50	20	DDGD	
CN(CC1(O)CCC1)S(=O)(=O)c1ccc(CCl)cc1	914368424	QZRRSGZBHCFBAK-UHFFFAOYSA-N	303.811	1.961	50	20	DDGD	
C[C@H](NC(=O)NNc1ccccn1)C(=O)N1CCCC[C@H]1C	102455812	XDTPKHYIJXMXST-NEPJUHHUSA-N	305.382	1.497	50	20	DDGD	
Cc1cccc2c1CC[C@@H]2NC(=O)NNC(=O)Cc1cccnc1	104796658	INVQFICINWSUKA-INIZCTEOSA-N	324.384	1.950	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)Cc2ccccc2F)ccc1C#N	171817498	JIIZJRROJNBYAK-UHFFFAOYSA-N	312.304	1.405	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc2c(c1)CCCC2	55617398	LDRQVQXDLHIDSE-NSHDSACASA-N	310.419	1.921	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN(C(C)C)C2CCC2)n1	119723572	VTFJFNYLLALJRA-UHFFFAOYSA-N	324.450	1.404	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	69334312	BVTLVLIHAYETSA-NSHDSACASA-N	320.345	1.200	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)NCc1ccco1	65148524	HGBMWXMWVCQFRK-UHFFFAOYSA-N	312.329	1.765	50	20	DDGD	
CC[C@H](C)N(C)CCNC(=O)NNC(=O)CCc1ccccc1	171076309	XNLYZXRUZKKLIL-AWEZNQCLSA-N	320.437	1.680	50	20	DDGD	
COc1cc(CC(=O)NNC(=O)NCc2ccco2)ccc1C	65176744	COIRZJSQZSYFMV-UHFFFAOYSA-N	317.345	1.670	50	20	DDGD	
C[C@H](CC(=O)NNc1ncccn1)C(=O)c1cccc(F)c1	173846647	XIAHCWQETDARTD-SNVBAGLBSA-N	302.309	1.968	50	20	DDGD	
CC(C)NC(=O)NNC(=O)COc1cccc(C(F)(F)F)c1	63270951	ZQSQMMBGCRFWLQ-UHFFFAOYSA-N	319.283	1.823	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1cn(C)nc1C	113143920	ZGHHJLGEEFTCAS-UHFFFAOYSA-N	322.752	1.465	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(C)Cc2nnc[nH]2)cc1	175653097	QMQJPXLNKOVNHA-MDWZMJQESA-N	311.345	1.769	50	20	DDGD	
O=C(NNC(=O)c1sccc1Br)NC1CC1	68266652	HGZILUIEUYOGCP-UHFFFAOYSA-N	304.169	1.617	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)o1	173634347	MZUFXXARFLNBDY-SECBINFHSA-N	321.308	1.659	50	20	DDGD	
O=C(NC[C@@H]1CCCN1CC(F)(F)F)NNc1ccncn1	1354523698	OILMIPAZDHLWLR-VIFPVBQESA-N	318.303	1.129	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cc(F)cc3[nH]cnc23)cc1	61462941	FCXKWTGUIISHBB-UHFFFAOYSA-N	323.287	1.648	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1c[nH]c2ccc(OC)cc12	68266355	AETQEKOQOSFRBE-UHFFFAOYSA-N	318.377	1.850	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)NCc2ccco2)c1	122859611	JBKPZIHBDAJJGM-UHFFFAOYSA-N	317.345	1.888	50	20	DDGD	
CCc1nc(C)c([C@@H](C)N(C)CC(=O)NNC(=O)C2CC2)s1	121985841	MFUBJJPFZIXGHL-SNVBAGLBSA-N	324.450	1.564	50	20	DDGD	
O=C(Cc1c(F)cccc1F)NNC(=O)NCC(F)(F)F	122043193	SPKYYJCPALMIDY-UHFFFAOYSA-N	311.210	1.400	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccc(F)cn1	184067093	IVQLVQYREIACGF-UHFFFAOYSA-N	313.292	1.252	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(-c3cccs3)n[nH]2)n1	71969586	CFBAKBNZLPTCOI-UHFFFAOYSA-N	316.346	1.694	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)CO)c1ccc(C(F)(F)F)cc1	182766553	PHOOVDKXVINBED-SOFGYWHQSA-N	302.252	1.248	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	128607314	PWSLGACIQOSGOL-INIZCTEOSA-N	316.361	1.389	50	20	DDGD	
CN(C)C(=O)Cc1ccc(NC(=O)NNc2ccncc2)cc1	183070081	MCUXHAPSEFLPPW-UHFFFAOYSA-N	313.361	1.861	50	20	DDGD	
Cc1cc(F)ccc1-n1cc(C(=O)NNc2ccncc2)nn1	180458444	BURNPCOTACHTGT-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
Cc1ccc(SCCC(=O)NNC(=O)c2cc(C)n[nH]2)cc1	121752086	YSXUOOASRQLHIO-UHFFFAOYSA-N	318.402	1.970	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CC(C)(C)C)ccc1C(N)=O	184994897	QTFBDVKMQLXSNQ-UHFFFAOYSA-N	306.366	1.683	50	20	DDGD	
COCc1ccccc1NC(=O)NNC(=O)c1cnn(C)c1	183838940	OEBCASHETXBXHP-UHFFFAOYSA-N	303.322	1.033	50	20	DDGD	
CS[C@H](C)CNC(=O)NNc1ccc(-n2cccn2)nn1	133888556	LXKKEKJFNBQYAD-SECBINFHSA-N	307.383	1.040	50	20	DDGD	
CCC[C@H]1C[C@H](C(=O)NNC(=O)CNc2ccccc2)CCO1	182942777	JJAPYPWGVGYVAE-HIFRSBDPSA-N	319.405	1.841	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C=C(C)C)cc1	46470081	CFLAUCWIJQLKPA-LBPRGKRZSA-N	306.362	1.966	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C(=O)Nc1ccc(F)c(F)c1	190302563	XRCFBSKIEDDCSY-UHFFFAOYSA-N	310.235	1.581	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc2O1	133780851	XIJNMESSGNMACZ-CQSZACIVSA-N	315.285	1.878	50	20	DDGD	
CN1C[C@@H](C(=O)NNc2ccc(C(F)(F)F)cn2)CC1=O	131955364	WZCHRMXILSIIDF-ZETCQYMHSA-N	302.256	1.022	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cccc(F)c1Cl	94121089	PXSVMAVSFNDMGV-UHFFFAOYSA-N	321.830	1.951	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(F)cc1F	267156260	PJUKTLMNZJIPCR-QMMMGPOBSA-N	317.292	1.169	50	20	DDGD	
CCCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1cccnc1	264548406	VSARBOFOYJADLO-ZDUSSCGKSA-N	318.377	1.024	50	20	DDGD	
CCCCOCC(=O)NNC(=O)c1ccc(Cl)cc1O	265534400	QISCCVNVVKIHJT-UHFFFAOYSA-N	300.742	1.623	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2sccc2CN(C)C)n1	268167815	UPZJNWVABDOQOS-UHFFFAOYSA-N	321.406	1.674	50	20	DDGD	
Cc1c(NNC(=O)CCCS(C)(=O)=O)cccc1[N+](=O)[O-]	269599273	JNLHLBMRYDPVRU-UHFFFAOYSA-N	315.351	1.171	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CNC(=O)C(C)(C)C	263796243	KZEQKMAZIAUIPF-UHFFFAOYSA-N	310.306	1.671	50	20	DDGD	
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NNc1cccc([N+](=O)[O-])c1	268150332	MKVBLKQEFWCRDS-QMTHXVAHSA-N	319.365	1.704	50	20	DDGD	
Cn1nccc1[C@@H]1CCCN(S(=O)(=O)CBr)C1	369492339	HQSJVAJKIAQTBF-SECBINFHSA-N	322.228	1.282	50	20	DDGD	
CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)cc1	273788733	WVUUOGOPMOIHQX-UHFFFAOYSA-N	321.377	1.606	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cc(F)cc(Cl)c1	270027931	CRBJUCCEGLRYNQ-ZETCQYMHSA-N	308.762	1.835	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(C[C@@H](C)C(=O)OC)cc1	274121422	AXKNDJLOZMCYAE-SECBINFHSA-N	309.322	1.431	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C2(C)COC2)cc1	272757808	OIQJQMNODRVNPC-LLVKDONJSA-N	322.361	1.037	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1cccc(OCC(F)F)n1	274246231	SXESKGGSAWSTIK-UHFFFAOYSA-N	314.292	1.678	50	20	DDGD	
CCSc1cccc(NC(=O)C(=O)NNC(=O)CC(C)C)c1	274241765	XZOBULOTRWLULT-UHFFFAOYSA-N	323.418	1.931	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@@H](C)[C@H]2CCOC2)cc(C#N)n1C	271007721	MKCMBVWUHSGIAW-WMTJNEATSA-N	312.373	1.653	50	20	DDGD	
O=S(=O)(CBr)NC[C@@H]1CCOc2ccccc21	272803109	LPWXTADYLWKTLC-VIFPVBQESA-N	320.208	1.825	50	20	DDGD	
COc1cccc(COC[C@H](O)CN2CC=C(C#N)CC2)c1	272589182	FTPWAMYLQSQNAJ-MRXNPFEDSA-N	302.374	1.728	50	20	DDGD	
CC(=O)Nc1ccc(Cl)c(NC(=O)NNC(=O)C2CC2)c1	274057020	HYJYFHXBXRDCIB-UHFFFAOYSA-N	310.741	1.861	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cccc(-c3nc[nH]n3)c2)n1	373622903	KRJHJUJQVGKWKQ-UHFFFAOYSA-N	322.328	1.250	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC(c2nc[nH]n2)CC1	375748147	YUMOPTRIPAAGEL-NTEUORMPSA-N	323.356	1.823	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H]1C(=O)Oc1ccc([N+](=O)[O-])cc1OC	286635353	ZPQYKMXXAWPEDX-NXEZZACHSA-N	309.274	1.708	50	20	DDGD	
CC(=O)N1Cc2ccc(NC(=O)NN=c3cc[nH]cc3)cc2C1	370412514	JYAFWXDIXIJCGN-UHFFFAOYSA-N	311.345	1.514	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCC[C@@H]2CCO[C@@H](C)C2)n1	280304388	OJKQAYGAMJOTFQ-QWHCGFSZSA-N	320.393	1.539	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F)C(C)C	298065345	UPFILXHJMINHEM-YPMHNXCESA-N	321.352	1.581	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN(C)C(=O)OC(C)(C)C)cc1	297517508	CKVFKCWRGJXLLU-UHFFFAOYSA-N	307.350	1.832	50	20	DDGD	
CCc1noc2ncc(C(=O)NNC(=O)NC3CCCC3)cc12	299378016	YKCVPMZLJYXGIR-UHFFFAOYSA-N	317.349	1.672	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCCCO2)cc1	296514732	ZQMDFNOSDSSWGH-GFCCVEGCSA-N	321.333	1.195	50	20	DDGD	
CN1C(=O)CC[C@@H]1C(=O)NNC(=O)Nc1ccc(Cl)cc1	802020963	HDMFOSAOOXTBKP-SNVBAGLBSA-N	310.741	1.114	50	20	DDGD	
C[C@@H](c1ccccc1)[C@](C)(O)C(=O)NNc1ncncc1F	294002988	MHNDCXZKRLZQJR-BONVTDFDSA-N	304.325	1.614	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CCC[C@@H](O)CC2)cc(C#N)n1C	295079397	ZGEKXFJMAYUPOI-FCONWMNKSA-N	312.373	1.486	50	20	DDGD	
Cn1[nH]cc2c(=NC(=O)NNc3ccccc3F)ccnc1-2	806493404	YJMCIIZJUBEDLH-UHFFFAOYSA-N	300.297	1.630	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(OCCC(=O)NNC(=O)C(C)(C)C)c1	299087936	ZDUVERBYUXARNV-UHFFFAOYSA-N	323.349	1.866	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)[C@H](C)NC(=O)C(C)(C)C)c1	293869818	HRRSYTCCKHYKHY-JTQLQIEISA-N	320.393	1.639	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1	294092686	IREAYBGIWKMTOH-UHFFFAOYSA-N	313.260	1.634	50	20	DDGD	
COC(=O)CN1CCN(CCO[Si](C)(C)C(C)(C)C)CC1	808747760	BRJOXUPEFANFLV-UHFFFAOYSA-N	316.518	1.799	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNC(=O)C(C)(C)C)nc1C	298787391	BYFHXUCLCXQMLK-UHFFFAOYSA-N	307.350	1.374	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2nc3cccnc3s2)o1	801165877	BWQDZQIUVJXOLG-UHFFFAOYSA-N	302.315	1.668	50	20	DDGD	
COc1ccc(C)nc1NC(=O)NNC(=O)[C@H]1CCCCO1	297295208	WJZPZQOOXIFBPW-LLVKDONJSA-N	308.338	1.120	50	20	DDGD	
O=C(NNC(=O)C1(O)CCOCC1)Nc1ccc(Cl)cc1	802017147	AGIOJOQWAOVHRZ-UHFFFAOYSA-N	313.741	1.034	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)c(C)o1	292450701	NUZZUJNXYNDJTF-VIFPVBQESA-N	321.308	1.659	50	20	DDGD	
CCCSCC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	801323700	CGLILENTQPGXTK-SNVBAGLBSA-N	304.412	1.255	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)COc1cc(C)ccc1C	812445645	VQNRJNIXIFXNMF-UONOGXRCSA-N	322.405	1.748	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)c1ccc(Cl)cc1F)C1CCC1	813470426	HZGJMHSGZFXGNN-CQSZACIVSA-N	314.744	1.791	50	20	DDGD	
Cc1nnc(CC(=O)NNc2ccccc2Br)o1	813493676	IWBQLESFBQRMEX-UHFFFAOYSA-N	311.139	1.826	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)c1ncn(C)n1	810686860	BYVHNPUULFKSSR-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)on1	816816248	REUDNUZOQUPNDR-UHFFFAOYSA-N	317.389	1.889	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)COc1ccc(C#N)cc1	812532414	RMLIXMZNEUNUHV-RYUDHWBXSA-N	319.361	1.003	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)NCC(F)(F)F)o1	816565243	HOEGCPBFKAFGBB-UHFFFAOYSA-N	308.260	1.442	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)Cn2cccn2)c(OC)c1	814839554	QQVGMOHTZNQBNT-UHFFFAOYSA-N	302.334	1.706	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)C1)Nc1cc(F)cc(F)c1	815005785	VQAQZUJSPKAILQ-UHFFFAOYSA-N	303.290	1.261	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)COC(F)(F)F)cc1F	821938776	GNUPZGOYVSCOQK-UHFFFAOYSA-N	310.203	1.592	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSc1nncn1C(C)(C)C	729319231	RRQNVEIJKKMYJD-UHFFFAOYSA-N	313.427	1.319	50	20	DDGD	
CCc1c(C(=O)NN(C)[C@H](C)CO)cnn1-c1ccccc1	823976815	JLNZXZWCVUUCMX-GFCCVEGCSA-N	302.378	1.392	50	20	DDGD	
Cc1ccc2c(c1)[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)CC2	825947113	DXOGARDBDLIGON-OSAQELSMSA-N	317.389	1.738	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1nnc(C2CC2)s1	726874281	MDMSDOARBZZTOX-UHFFFAOYSA-N	306.351	1.221	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)C1CCSCC1	826448526	YWHHWRORHXZNFZ-UHFFFAOYSA-N	304.379	1.453	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccc(C(N)=O)cc1F	495366937	KRZVWCFHCOILSJ-UHFFFAOYSA-N	312.301	1.486	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	822728458	SUMVTXAEGQBVSG-VDDIYKPWSA-N	308.309	1.623	50	20	DDGD	
O=C(NCc1cccc(C(=O)O)c1)NNC(=O)c1ccccc1	821446582	XYIXDFGSJYHJMP-UHFFFAOYSA-N	313.313	1.529	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl	823959676	NRHLUGDWQZAQNJ-DTWKUNHWSA-N	304.749	1.590	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(C)(C(=O)N2CC=C(C#N)CC2)C1	496037719	ADVRQLZWIXZVIJ-UHFFFAOYSA-N	305.378	1.926	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc(-c2ccc[nH]2)cc1	495407123	HZIFTVAPQHNFDM-UHFFFAOYSA-N	316.317	1.398	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(-c2cccc(Cl)c2)no1	823855658	AOKNWRCFDLIRKO-UHFFFAOYSA-N	309.753	1.954	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CC[C@@](C(N)=O)(c2ccccc2)C1	491137178	WRVHNUJJGAVFCW-HVJHFUJKSA-N	313.357	1.086	50	20	DDGD	
COc1ccc(-n2nc(C(=O)NN(C)[C@H](C)CO)cc2C)cc1	823940171	UEADDXNLEZJSLC-GFCCVEGCSA-N	318.377	1.147	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@@H]1CCN1C1CCCC1	825003906	GCWLLRONGMZARI-VIFPVBQESA-N	315.286	1.822	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1csc(Cc2ccccc2F)n1	823950294	BCUYPUJJKIIILG-SNVBAGLBSA-N	323.393	1.830	50	20	DDGD	
CCN(CC)Cc1ccc(NCc2ccc(B(O)O)cc2)cc1	585036600	KFUPVFMCYJJTIE-UHFFFAOYSA-N	312.222	1.820	50	20	DDGD	
COc1ccc(CC[C@H](C)NCc2cccc(B(O)O)c2)cc1	585019101	BKJPBOHXYPLUQL-AWEZNQCLSA-N	313.206	1.486	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccnc(Cl)c1	826449095	BIWXEXAGKHPLJO-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
C[C@]1(NCc2ccc(B(O)O)cc2F)CCCc2ccccc21	585033567	HLOYQKVWPKGZGE-SFHVURJKSA-N	313.181	1.847	50	20	DDGD	
CCN(C(=O)c1cccc(B(O)O)c1)[C@H]1CCCc2cccnc21	584979485	VKHZSQPCJZFUGE-INIZCTEOSA-N	324.189	1.301	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](CCO)COC)cc1	490813150	OKAOQZLDYHKXPB-BAAYTWLHSA-N	318.373	1.506	50	20	DDGD	
CC(C)[C@H](NCc1ccccc1B(O)O)c1nc(C2CC2)no1	585032181	CKSYKUYIIUXPDG-AWEZNQCLSA-N	315.182	1.114	50	20	DDGD	
Cc1cc(OCC(=O)NNc2cc(F)c(F)cc2F)no1	734553739	WTLTVXVTQCCTKD-UHFFFAOYSA-N	301.224	1.922	50	20	DDGD	
O=C(/C=C\[C@@H]1CCOC1)NNc1cccc(Br)n1	493042854	CXWUHHONGDPHQC-XRVBUDJMSA-N	312.167	1.880	50	20	DDGD	
COC(=O)NNC(=O)c1cc2c(OC)cc(OC)c(OC)c2[nH]1	495406871	GWBSKNDAAQBQKI-UHFFFAOYSA-N	323.305	1.195	50	20	DDGD	
COC[C@H](NC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)C(=O)O	823339218	SODPLMOYNKCIPW-APOZVJGGSA-N	320.183	1.156	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cc(F)ccc1F	826447098	MUEFJKLOUDTTIF-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N=c2nc(C(C)(C)C)[nH]s2)cn1	491135792	UUQVYLWZQNNADS-BJMVGYQFSA-N	316.390	1.537	50	20	DDGD	
CC(C)[C@H]1[C@H](C(C)C)CN1C(=O)c1cc(B(O)O)ccc1F	584996373	GIZGRHNBPWCJOA-ZFWWWQNUSA-N	307.174	1.258	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCCN(C)C(=O)O)c1ccccc1	736845758	DETKACZCYLMHFM-CYBMUJFWSA-N	321.377	1.718	50	20	DDGD	
COc1ccc(C[C@@H](C)C=NNC(=O)c2ncon2)cc1F	901290130	PMFWXHSLMXEYRR-SECBINFHSA-N	306.297	1.812	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	491355215	OPSVOPJAZWLPRC-UHFFFAOYSA-N	315.414	1.875	50	20	DDGD	
C[C@@H]1CN(CCI)CCN(C2CC2)C1	830087424	JGONZTWQYVVVIG-SNVBAGLBSA-N	308.207	1.838	50	20	DDGD	
CN1CCc2cc(C(=O)NNC(=O)[C@H]3CCCCO3)ccc21	833241456	ATFKFXYVNMAHNP-CQSZACIVSA-N	303.362	1.009	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1cc2c(cn1)CCC2	836701235	RNZSTTOGTYVDDR-GFCCVEGCSA-N	304.350	1.292	50	20	DDGD	
C[C@H]1C[C@H](C)CC[C@H]1NC(=O)NNC(=O)N=c1cc[nH]cc1	836299957	LQGRIWHYRHMHJQ-NTZNESFSSA-N	305.382	1.664	50	20	DDGD	
O=C(O)[C@H]1COCCN1Cc1ccc(OCCCCl)cc1	901986740	XXSVUVRQLSJWLR-CQSZACIVSA-N	313.781	1.980	50	20	DDGD	
O=C(Cc1n[nH]c2c1CCCC2)NNc1ncc(F)cc1F	837209213	XGMCGUCJBMFTED-UHFFFAOYSA-N	307.304	1.648	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)NNC(=O)C2CCC2)C1	732243164	SPYGJSCVJNIVJC-BETUJISGSA-N	324.469	1.873	50	20	DDGD	
CCC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)[C@@H]1CCOC1	736302436	FRUFQZZBSXXUQO-GFCCVEGCSA-N	314.349	1.399	50	20	DDGD	
O=C(CN1CCC(c2ccccc2F)CC1)NNC(=O)C1CC1	736313996	XJMGTCAPRRDMTP-UHFFFAOYSA-N	319.380	1.563	50	20	DDGD	
CC[C@H](O)[C@@H](C)C(=O)NNC(=O)c1cccc2cccnc12	900441703	NAIVLDMRKRWICL-MFKMUULPSA-N	301.346	1.403	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@@H]2C(=O)O)c(C)c1	738628413	QTGRHBAPCQLPOB-ZJUUUORDSA-N	307.375	1.342	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)COc2ccccc2O)cc1	730782718	TUARZLCAVNEBPF-UHFFFAOYSA-N	311.297	1.104	50	20	DDGD	
Cc1ccnc(Oc2ccc(NC(=O)NNC(=O)O)cc2)n1	832983678	DMXLGUJFRYJCMS-UHFFFAOYSA-N	303.278	1.881	50	20	DDGD	
C[C@@H]1CCC[C@H]2CCCN(C(=O)c3ccc(B(O)O)c(F)c3)[C@@H]21	584934279	PXAHRWDFGLVEGU-BFQNTYOBSA-N	319.185	1.546	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNC(=O)[C@@H](CC)c1ccccc1	732132034	AWMJHRRNYPOAIG-HOTGVXAUSA-N	313.401	1.425	50	20	DDGD	
O=C(CN1CC[C@@H](c2ccco2)C1)NNC(=O)c1ccccc1	732205835	NHOUGJAOFBLXRC-CQSZACIVSA-N	313.357	1.530	50	20	DDGD	
COc1ccc2c(c1)C[C@H](C)CC2=NNC(=O)[C@@H]1CNC(=O)C1	905484028	FHMKJFYOAKFRNC-JQWIXIFHSA-N	315.373	1.234	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2COc3cc(Cl)ccc3C2)c1	585047580	RUWKVWHZLBURFD-HNNXBMFYSA-N	317.581	1.113	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)C[C@H](C)C2CC2)C[C@@H](C)O1	732258753	HAIAJLNSPYIWOH-RWMBFGLXSA-N	311.426	1.069	50	20	DDGD	
CC[C@@H](C)[C@@H](C=NNC(=O)CNC(=O)c1cccs1)OC	834952051	KHLDGSGDPSRPTA-GHMZBOCLSA-N	311.407	1.641	50	20	DDGD	
O=C(NCB(O)O)c1cccc(-n2nccc2-c2ccccc2)c1	585061675	DEDKTMBOJVUAFH-UHFFFAOYSA-N	321.145	1.281	50	20	DDGD	
CN(C)CCOc1ccc(CCNS(=O)(=O)CCl)cc1	830395476	NMIJGYRPIZQEFZ-UHFFFAOYSA-N	320.842	1.285	50	20	DDGD	
C[C@H]1CC[C@H](CNC(=O)NNC(=O)c2cccc(Cl)c2)O1	838738820	GQMVVKCNLOJSJV-JOYOIKCWSA-N	311.769	1.852	50	20	DDGD	
CCC[C@H](NC(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccn1	836278071	DJXDGCNKPNEAFP-KBPBESRZSA-N	320.393	1.822	50	20	DDGD	
CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1cccc(B(O)O)c1	584962980	NRZPHVBTLCDOSC-HUUCEWRRSA-N	319.210	1.032	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)c2cccc(Cl)c2)n[nH]1	738480278	KMMAVTGGQALKMW-UHFFFAOYSA-N	307.741	1.516	50	20	DDGD	
CC(C)(C)SCCNC(=O)NNC(=O)[C@H]1CCCCO1	836272365	PUMIZYPMACWBJD-SNVBAGLBSA-N	303.428	1.418	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCCO1)c1ccc2nc(O)[nH]c2c1	834988043	FVVOCHRFJNSUJW-CYBMUJFWSA-N	302.334	1.678	50	20	DDGD	
Cc1ccc(O[C@H](C)C(=O)NNC(=O)CC(F)(F)F)cc1	918364808	USHADTHRUYAYMK-SECBINFHSA-N	304.268	1.862	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H]2CCCc3nn[nH]c32)c1	830842442	CXLODJGJPLVSTG-LLVKDONJSA-N	305.313	1.516	50	20	DDGD	
COc1cccc(NNC(=O)NCCc2cnc(C)cn2)n1	836683362	AJOHGEYKUPXCCK-UHFFFAOYSA-N	302.338	1.057	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(S[C@H]2CCOC2=O)cc1	910159945	CYUQTPRLFQSGIA-GWCFXTLKSA-N	324.402	1.052	50	20	DDGD	
C=C(C)CNC(=S)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	916546744	ZMODMMKFIQPNKI-UHFFFAOYSA-N	320.418	1.313	50	20	DDGD	
CC(C)[C@@]1(C)C[C@@H]1NC(=O)NNc1ccc(-n2cccn2)nn1	838768230	ZIWCTANBLZZREN-XHDPSFHLSA-N	315.381	1.723	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(-n2nncc2C)cc1	831993478	SNLSSEPLDIYREQ-JTQLQIEISA-N	316.365	1.775	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccc(C(=O)NC2CC2)cc1	912773237	CFPIHLPSGZRRKT-UVTDQMKNSA-N	314.341	1.675	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccccc1-c1nc(C)no1	742053793	KOTCUTFOEHFBMZ-UHFFFAOYSA-N	303.322	1.399	50	20	DDGD	
CCCc1c(C(=O)NN(C)C[C@H](C)O)[nH]c(C)c1C(=O)OC	910170467	LWVFDSOIEGJCAF-VIFPVBQESA-N	311.382	1.020	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNc2ncnc3[nH]cnc23)c1	743471890	ZTVDTIJZFCGJMI-UHFFFAOYSA-N	312.333	1.492	50	20	DDGD	
C[C@@H](COc1ccccc1)NC(=O)NNC(=O)CC(F)(F)F	918090116	JDIAIMBLPFWZBW-VIFPVBQESA-N	319.283	1.737	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2cccc(O)c2)c1	913450265	MUXOPRVMYYLSPO-UHFFFAOYSA-N	314.341	1.849	50	20	DDGD	
O=C(Cn1cncn1)NNc1ccc(OCC(F)(F)F)cc1	748701656	RYKOBFULHLYAEP-UHFFFAOYSA-N	315.255	1.363	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NNC(=O)c1ncccn1	841445507	LLZXHMGOILPWTP-SSDOTTSWSA-N	315.171	1.047	50	20	DDGD	
Cc1cc(F)c2c(c1)C(=NNC(=O)[C@H]1CCO[C@H]1C)C(=O)N2	842555326	KFMOLEOIGACJIT-IUCAKERBSA-N	305.309	1.332	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1ccc(-n2cncn2)c(F)c1	842553874	GKLLDIOQRSDTBH-CMPLNLGQSA-N	317.324	1.282	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccn(-c2ccc(F)cc2F)n1	910161269	UHIBJDKZILKJJE-SECBINFHSA-N	310.304	1.108	50	20	DDGD	
CCC(=NNC(=O)C(=O)Nc1ccc(C)cc1)[C@H]1CCOC1	741838848	WILOCEXUBFJPAL-LBPRGKRZSA-N	303.362	1.852	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	748717611	CQPUAVMZGMUOSZ-ZDUSSCGKSA-N	322.752	1.789	50	20	DDGD	
NC1CCC(NC(=O)NNc2cc(F)c(F)cc2F)CC1	841945204	ADULAADDIGQRTE-UHFFFAOYSA-N	302.300	2.000	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(OC(C)C)c(C#N)c1	757744137	WWODLGQGPSBBNO-UHFFFAOYSA-N	320.349	1.535	50	20	DDGD	
CC(=NNC(=O)Cc1cccnc1)c1cc([N+](=O)[O-])ccc1O	758121565	ZOGJHJDLJQMADP-UHFFFAOYSA-N	314.301	1.778	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN[C@@H]2CCCC[C@@H]2C)cc1	921206703	RNOKBFOJBIYLFN-DZGCQCFKSA-N	303.406	1.924	50	20	DDGD	
COCCCNC(=O)NN=c1c(=O)c2cccc3cccc1c32	920833004	BOQPVWXCVDWEDT-UHFFFAOYSA-N	311.341	1.380	50	20	DDGD	
C[C@]1(CNC(=O)NCCn2cccn2)C[C@@H]1Br	856840025	RPTXPUSLPQJWIB-GXSJLCMTSA-N	301.188	1.356	50	20	DDGD	
CCOC1CCC(=NNC(=O)CNC(=O)c2cccs2)CC1	853299683	ULXMPTCVQFBXCD-UHFFFAOYSA-N	323.418	1.929	50	20	DDGD	
CO[C@H](CNC(=O)/C(C#N)=C/c1cnn(C)c1)C1CCCC1	856154665	NMNOLBXWPFVHJC-KEQVLUGWSA-N	302.378	1.648	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@H](N2CCCC2=O)C1)C1CCCC1	753337973	AJLVIMALGSFHJT-ZDUSSCGKSA-N	322.409	1.004	50	20	DDGD	
C[C@H](O)C[C@H](C)CNC(=O)NC[C@]1(C)C[C@H]1Br	856955540	MHZYRMWPKBPGBT-GUDRVLHUSA-N	307.232	1.866	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@H]1c1ccccn1	751480255	BXOLYKGJKYLOQS-ZFWWWQNUSA-N	318.421	1.801	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1	858523206	NQPXSACGBUPODV-CYBMUJFWSA-N	317.389	1.342	50	20	DDGD	
CCCn1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2F)nn1	855623307	ZNQQWZLJWWCDHC-UHFFFAOYSA-N	308.273	1.492	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cnn(Cc2ccccn2)c1	756738990	JUAYYDCRPROZHK-UHFFFAOYSA-N	316.365	1.525	50	20	DDGD	
CCN(C)C(=O)CNC(=O)NNc1ccc(F)cc1Cl	922057089	FXPGJHZPSZMWOS-UHFFFAOYSA-N	302.737	1.584	50	20	DDGD	
Cc1oc2ccccc2c1C=NNC(=O)[C@@H](C)NS(C)(=O)=O	758121539	ZDYOJEHPTHMACC-SECBINFHSA-N	323.374	1.129	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)N[C@@H](C)C2CC2)nn1C(C)C	855096536	XCSYRQWNLAVULT-JTQLQIEISA-N	309.439	1.680	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)CCOc2ccccc2)[C@@H]1C	858918647	LGOOYGBUGSQTSW-OQMKEHIESA-N	320.389	1.662	50	20	DDGD	
C=CCN(CC=C)C(=O)CN(C)NC(=O)OCc1ccccc1	859389840	PGKPSGQWMHQEFJ-UHFFFAOYSA-N	317.389	1.960	50	20	DDGD	
C[C@H]1CN(C[C@@H](CBr)C2CC2)CCS(=O)(=O)C1	859280028	HTXJZSDMPPUQMU-CMPLNLGQSA-N	324.284	1.774	50	20	DDGD	
C[C@@H]1CCC[C@H](OCC(=O)NNC(=S)NCC2CCC2)C1	855091170	DXEXYEDFGYCRFC-YPMHNXCESA-N	313.467	1.877	50	20	DDGD	
C[C@@]1(CNC(=O)c2cccc3nn[nH]c23)C[C@@H]1Br	857732814	CXWVYTMVQKYCCB-CABZTGNLSA-N	309.167	1.861	50	20	DDGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCCS(=O)(=O)CC1	750044074	BPSNAFKMKHPPHQ-MKMNVTDBSA-N	321.358	1.580	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccc(Cl)nc2)[C@H]2CCCC[C@H]2N1	857141686	NAZVZWKTHHAWEL-GRYCIOLGSA-N	322.796	1.873	50	20	DDGD	
C[C@@H]1C(=NNC(=O)Cc2ccccc2O)CC[C@@H]1CC(=O)O	853400836	PFSHTFXMSUPEJU-WDEREUQCSA-N	304.346	1.928	50	20	DDGD	
Cn1cccc1CNC(=O)NC[C@@]1(C)C[C@@H]1Br	856837486	MLLTUESTRWJUNV-CMPLNLGQSA-N	300.200	1.998	50	20	DDGD	
CSCCC=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1	755588241	OTUBXXMWPNKKFN-JHJVBQTASA-N	301.456	1.587	50	20	DDGD	
CC(C)C(=O)NNC(=O)NNC(=O)c1cc2ccccc2o1	750288982	NJAQUVGHRZERPV-UHFFFAOYSA-N	304.306	1.064	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCC2(O)CCC2)c(OC)c1	865189360	UTKUAOGNHZQUMU-UHFFFAOYSA-N	322.361	1.160	50	20	DDGD	
CCC[C@H](C)C(=O)OCC(=O)NNC(=O)Cc1ccccc1C	767287794	QGNPZRMFPSEGKD-ZDUSSCGKSA-N	320.389	1.664	50	20	DDGD	
O=C(Cc1c[nH]c2cc(Cl)ccc12)N1CC[C@@H](B(O)O)C1	864231806	SPYJPFPRVMKRRP-SNVBAGLBSA-N	306.558	1.439	50	20	DDGD	
CCOC(=O)NCCC(=O)N(C)NC(=O)OCc1ccccc1	862287543	UWZWSLIEUSNMTL-UHFFFAOYSA-N	323.349	1.422	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCC(=O)N1)c1ccc(Br)cc1	863145677	DOGKTGYHPMRKFS-LLVKDONJSA-N	324.178	1.568	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@@H]2CCSC2)c1	762443939	YWEXCQDKFVNCBT-SNVBAGLBSA-N	309.391	1.008	50	20	DDGD	
CN(c1ccnc(C(N)=O)c1)S(=O)(=O)CC(C)(C)CCl	867098931	IVXMDHZZMBJMPG-UHFFFAOYSA-N	319.814	1.212	50	20	DDGD	
C[C@H](NNC(=O)c1cc(C#N)cc(N(C)C)c1)C(F)(F)F	862321467	XUJNTUWQESAAMG-QMMMGPOBSA-N	300.284	1.809	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2cc(Cl)ccc2Cl)N1	863148321	ZFXCRPFVSHSABD-JTQLQIEISA-N	300.145	1.722	50	20	DDGD	
O=C1NC[C@@H](COC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)O1	869459602	GWDNAEOKDMXZOY-PHGLEFOZSA-N	318.167	1.592	50	20	DDGD	
C[C@@H]1C[C@@H](C)N(S(=O)(=O)CC(C)(C)CCl)C[C@H]1CN	866772408	DHMUNSZEQDMAGL-IJLUTSLNSA-N	310.891	1.886	50	20	DDGD	
CNC(=O)[C@H]1CCC[C@H]1NC(=O)NNc1c(F)cccc1F	766277710	FDXCTGAQWLKTGU-GZMMTYOYSA-N	312.320	1.506	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C=NNC(=O)c2cn[nH]c2)c1C	863152122	HFINNFGGXHLZCM-UHFFFAOYSA-N	303.322	1.295	50	20	DDGD	
COCc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1F	869067941	KKHFXBHTWWUKKJ-BXKDBHETSA-N	310.325	1.158	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)CCCn1cccn1	862286925	JYZDRQONPOCLEP-UHFFFAOYSA-N	316.361	1.963	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)C2(C(=O)NC3CC3)CCC2)c1	862476726	YEPDPNIVYHXBHW-UHFFFAOYSA-N	321.402	1.266	50	20	DDGD	
O=C(Cn1cncn1)NNc1c(Cl)cc(F)cc1Cl	768008919	IYKKJLHGBHNYHR-UHFFFAOYSA-N	304.112	1.867	50	20	DDGD	
CC1(C)CC(=NNC(=O)[C@H]2CCC(=O)N2)c2cc(O)ccc2O1	863149603	DAEZKOOISIUZKF-LLVKDONJSA-N	317.345	1.052	50	20	DDGD	
COC1(C=NNC(=O)[C@H]2COc3ccccc3O2)CCOCC1	761742676	CKHVTXOZZXFLKH-CQSZACIVSA-N	320.345	1.124	50	20	DDGD	
Cn1c(C(=O)NNC(=O)C(C)(C)O)ccc1-c1ccc(F)cc1	768262499	XJGLZVGFZWGSFB-UHFFFAOYSA-N	319.336	1.363	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=Cc1cnsc1	872336842	NKFUPBWDOCAHDC-QJPTWQEYSA-N	310.423	1.339	50	20	DDGD	
Cc1c(O)cccc1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	772229834	HIWIAKQFSITTOE-LLVKDONJSA-N	322.361	1.439	50	20	DDGD	
CSc1ccccc1CC(=O)NNC(=O)c1cccn1C	776753946	WWWIGENQQOOZFC-UHFFFAOYSA-N	303.387	1.751	50	20	DDGD	
COCCCOc1ccc(C(=O)NNc2ccc(F)cn2)cn1	874651900	WYTGBYKTHXELAO-UHFFFAOYSA-N	320.324	1.788	50	20	DDGD	
CNC(=O)NNC(=O)c1ccccc1Oc1ccccc1C#N	778244821	DDMYUVGTGKAGCZ-UHFFFAOYSA-N	310.313	1.924	50	20	DDGD	
CCn1cc(C(=O)C(=O)OC[C@@H](C)CBr)cn1	770411695	NCPOPJAYVNEKJM-QMMMGPOBSA-N	303.156	1.660	50	20	DDGD	
NC(=O)c1ccc(OCC(=O)NNc2cc(Cl)ccn2)cc1	778447090	SGMGUOTUMUPHKT-UHFFFAOYSA-N	320.736	1.356	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@H]1C=NNC(=O)c1cn[nH]c1	872392434	LHSSVWLKZQBCQR-CMPLNLGQSA-N	302.338	1.120	50	20	DDGD	
CCCNC(=O)NNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1	778242751	FMOVCYHCJXDUFN-UHFFFAOYSA-N	316.264	1.427	50	20	DDGD	
COc1ccnc(NNC(=O)/C=C/c2ccc(O)c(O)c2)n1	779476929	YXXBFMAEAKVHKX-HWKANZROSA-N	302.290	1.053	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=S)Nc1cccc(F)c1F	1118257324	DTQMLCOTBKNTTJ-JGVFFNPUSA-N	315.345	1.707	50	20	DDGD	
CO[C@H]1CN[C@@](C)(C(=O)NNc2ccccc2C(F)(F)F)C1	876597541	DXHFNTPKCXUFMM-NOZJJQNGSA-N	317.311	1.916	50	20	DDGD	
CCCc1nc(C)c(CNC(=O)NN=c2cc[nH]c(C)c2)o1	875615598	LTAJNVGHYKYLET-UHFFFAOYSA-N	303.366	1.887	50	20	DDGD	
C#CCCCCCC(=O)NNC(=O)c1cccc(OC)c1O	779886687	BVQZLIMPMWTCCE-UHFFFAOYSA-N	304.346	1.746	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1	875073721	HZQBVSMQPLBIBV-AWEZNQCLSA-N	320.393	1.736	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(N2CCOCC2)cc1C	878214726	WBFTZKCFCCNLPC-UHFFFAOYSA-N	322.409	1.446	50	20	DDGD	
CC(C)(C)[C@H](NC(=O)NNC(=O)c1cnccn1)C(F)(F)F	775981604	RSJNHJWTHIUOSP-VIFPVBQESA-N	319.287	1.398	50	20	DDGD	
Cc1ccc(NC(=O)NNc2ccccn2)cc1S(N)(=O)=O	779060948	IMLAREBIADAUKP-UHFFFAOYSA-N	321.362	1.186	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)[C@H](CC)CO)cc1OC	779725182	PQVJGEAXEQZKDX-LLVKDONJSA-N	324.377	1.264	50	20	DDGD	
C[C@H](CNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)C(=O)O	776637170	ATIQWQALOSVMKK-JXVAYASWSA-N	304.184	1.777	50	20	DDGD	
COCc1ccc(NC(=O)C(=O)NNc2ccccn2)cc1	773487997	NLOZKFHHCPQIJS-UHFFFAOYSA-N	300.318	1.310	50	20	DDGD	
Cc1conc1NC(=O)C(=O)NNc1ccc2ccccc2n1	773655358	ROGZTTROXDEBLO-UHFFFAOYSA-N	311.301	1.613	50	20	DDGD	
Cc1cccc(CC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)c1	772077769	ZECZEABKFIRPRK-ZDUSSCGKSA-N	320.389	1.663	50	20	DDGD	
C[S@](=O)c1cccc(C(=O)NNc2nccnc2Cl)c1	771735638	ROPIKVSLNDTGCS-FQEVSTJZSA-N	310.766	1.624	50	20	DDGD	
CC(C)(C)n1ncc2c(O)nc(NNC(=O)c3cc[nH]c3)nc21	770955241	NLZHBEMEABFYBI-UHFFFAOYSA-N	315.337	1.372	50	20	DDGD	
CCc1ocnc1C(=O)NNc1cccc(S(C)(=O)=O)c1	776528353	NSAIWBCRMKSZOS-UHFFFAOYSA-N	309.347	1.397	50	20	DDGD	
COc1ccnc(NNC(=O)/C=C\c2ccc(O)c(O)c2)n1	779476930	YXXBFMAEAKVHKX-HYXAFXHYSA-N	302.290	1.053	50	20	DDGD	
C#C[C@H](NC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C)[C@H]1CCCO1	775339765	ISSYWDWFYOGZBO-HXQHXECISA-N	322.368	1.409	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1	770333227	BRBHTFIJUMMRFN-UHFFFAOYSA-N	318.377	1.731	50	20	DDGD	
C#CCSCC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	887668149	LXDIZSKBDLQGNP-SNVBAGLBSA-N	310.350	1.107	50	20	DDGD	
O=C(NNC(=O)[C@H](O)Cc1ccccc1Cl)C1CCCC1	772139632	NDANWGOHRHGYKR-CYBMUJFWSA-N	310.781	1.581	50	20	DDGD	
Cc1cc(C)cc([C@@H](O)CNS(=O)(=O)CCCCl)c1	882166721	UWXANAXVIARERA-ZDUSSCGKSA-N	305.827	1.885	50	20	DDGD	
N#CSCCCNC(=O)CCNC(=O)Cc1ccccc1	773584613	CNZAVQFZXVYCTE-UHFFFAOYSA-N	305.403	1.456	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(Cl)nc(Cl)c1	887139457	PUOXDPNXWJCTGK-UHFFFAOYSA-N	300.145	1.953	50	20	DDGD	
O=C(NC[C@H]1CCCC1(F)F)NNC(=O)C1CCOCC1	883677055	DTHVMFMFKIFLKN-SNVBAGLBSA-N	305.325	1.179	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc(F)c(Cl)c1F	883067507	KQNJSVIYBPDZAT-UHFFFAOYSA-N	318.707	1.806	50	20	DDGD	
CN1Cc2cc(OS(=O)(=O)CCCCl)ccc2C1=O	882035951	RSNNFMSJEWTPIO-UHFFFAOYSA-N	303.767	1.610	50	20	DDGD	
COc1cc(C)ccc1C(=O)NNC(=S)N[C@@H](C)C1CC1	781030361	ZMJLZHYSQWYCBI-JTQLQIEISA-N	307.419	1.911	50	20	DDGD	
Cl/C(=C/CBr)n1cc(Cn2cncn2)nn1	881310944	UEDRVIUSOPXFGM-QPIMQUGISA-N	303.551	1.350	50	20	DDGD	
CC1(C)COc2c(C(=O)NNC(=O)C3CCOCC3)cccc21	883069883	ZOXUYPKYAQDVMP-UHFFFAOYSA-N	318.373	1.544	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)CC[C@@H]2NC(=O)NC2=O)cc1	781042820	VZASPCAALNTZAA-LBPRGKRZSA-N	318.377	1.415	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=O)C2CCOCC2)c(O)c1	883062009	OHILBWHNJZJBAA-UHFFFAOYSA-N	306.362	1.703	50	20	DDGD	
CC(C)C(C=NNC(=O)N[C@H]1CCS(=O)(=O)C1)C(C)C	788995994	ZVLLVZOQZCDLQU-NSHDSACASA-N	303.428	1.387	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ncc(C)cc2C)nc1	780675301	PMGJAIYMNXNQNQ-UHFFFAOYSA-N	300.318	1.637	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@@H]2CCN2C(C)(C)C)o1	895970001	BXJQMPDBPXFWIE-NSHDSACASA-N	305.382	1.986	50	20	DDGD	
O=S(=O)(CBr)N1CCc2cc(F)ccc2C1	272852525	VTKKNRMLQKQFGG-UHFFFAOYSA-N	308.172	1.866	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)CCC=C2	786537608	BRWMQELKBNJFOW-LLVKDONJSA-N	316.357	1.749	50	20	DDGD	
Cc1nscc1C(=O)NNC(=O)c1ccc(Cl)cc1O	781419163	BYFWODNLAYMZCE-UHFFFAOYSA-N	311.750	1.885	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H]1CCc2cc(C#N)ccc21	787428369	WJLYKJXNCIINJI-AWEZNQCLSA-N	300.362	1.922	50	20	DDGD	
O=C(NNc1nc(C(F)(F)F)cs1)[C@H]1[C@@H]2CCC(=O)[C@@H]12	896315042	OHZMYDCMWOYGFP-WDZBIPAOSA-N	305.281	1.830	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)NC(C)(C)C)c2n[nH]cc2c1	899995361	OBLMIIZRPZLYDH-UHFFFAOYSA-N	305.407	1.779	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)C1CN(C2CCOCC2)C1	897254188	PCHIVIZIZZWWKF-UHFFFAOYSA-N	315.377	1.117	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc2c(nc1O)CCC2	899992056	LGDCNPUYYHXYQE-UHFFFAOYSA-N	308.407	1.183	50	20	DDGD	
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccnc(O)c1	790298284	ZAQKIMVLLORKQM-UHFFFAOYSA-N	316.273	1.555	50	20	DDGD	
Cc1cccnc1NNC(=O)CSCC(=O)N1CCCCC1	791214144	UGORRKDMHALDCC-UHFFFAOYSA-N	322.434	1.579	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC=C(c2ccccc2)C1	792933415	JUBDBKPXTSMOBF-UHFFFAOYSA-N	315.417	1.969	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@H]2CCC(=O)[C@H]2C)nc1	793734880	GQBHSJMEURHXOI-VHSXEESVSA-N	305.334	1.317	50	20	DDGD	
CO[C@@H]1CCC[C@H](CC(=O)NNC(=S)NCC2CCC2)C1	798124992	HAAGJUZTOWEMMR-QWHCGFSZSA-N	313.467	1.877	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)n1	793050309	FMCLESSISJWVEG-GXTWGEPZSA-N	318.377	1.292	50	20	DDGD	
CC(C)(C(=O)OCC(=O)NNC(=O)c1cccs1)C(F)F	795864584	XMVPIKBATAJMCV-UHFFFAOYSA-N	320.317	1.344	50	20	DDGD	
COCC[C@H](NC(=O)[C@@H](Br)C(C)(C)C)C(=O)OC	794249980	TUGFVRLAIBWQEJ-DTWKUNHWSA-N	324.215	1.490	50	20	DDGD	
Cc1nc(C)c(CNC(=O)NNc2nc3ccccn3n2)s1	790388008	CWYFBQJTTBQDOR-UHFFFAOYSA-N	317.378	1.629	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)C[n+]2ccccc2)cc1OC	1317706879	WJROTTWQIOWXMP-UHFFFAOYSA-O	314.365	1.532	50	20	DDGD	
C[C@@H]1SCC[C@H]1NC(=O)NNc1nncc(N)c1Cl	1328161438	QTLRKPJPKHLHTI-CAHLUQPWSA-N	302.791	1.232	50	20	DDGD	
CC(=O)NNC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCC1	1325100968	WXZQDOCKHRMEGA-GFCCVEGCSA-N	313.398	1.627	50	20	DDGD	
C=CC[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccncc1	1328133293	BORCRUYJQYXOLU-YUTCNCBUSA-N	318.377	1.454	50	20	DDGD	
CCC[C@H]1C[C@H](C(=O)NNc2nncc(N)c2Cl)CCO1	1320788420	YLIOFZDHGFDWHI-BDAKNGLRSA-N	313.789	1.751	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cnc(C3CC3)[nH]2)c1	1320065179	GNXYQKHWRPRMPA-UHFFFAOYSA-N	300.318	1.831	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cccnc1C(F)(F)F	1333588925	UTOTVNQUMSQBTQ-UHFFFAOYSA-N	317.267	1.288	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1OCC(=O)NNc1nncc(N)c1Cl	1333508195	METSAAYFJVDEKO-SCZZXKLOSA-N	313.789	1.751	50	20	DDGD	
C[C@@]1(Cn2nnnc2N2CC[C@@H](F)C2)C[C@H]1Br	1336185998	KXHWNKNCEANRND-MRTMQBJTSA-N	304.167	1.395	50	20	DDGD	
CC(C)[C@@H]1CCC[C@H](NC(=O)NNC(=O)c2cn[nH]c2)CC1	1334930567	LUYNFLTZULGAQA-YPMHNXCESA-N	307.398	1.959	50	20	DDGD	
Cc1ccc(-c2cccnc2)cc1NC(=O)NNC(=O)CCO	1339733456	SXLRHYJPYSVEJL-UHFFFAOYSA-N	314.345	1.592	50	20	DDGD	
O=C(CCNc1ccccc1)NNC(=S)NCC1CCC1	1331222498	OTBKRJQDEUAXDW-UHFFFAOYSA-N	306.435	1.784	50	20	DDGD	
O=C(NN=CCCc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1	1344744683	NRUNLUSFMOHTEL-LBPRGKRZSA-N	312.366	1.295	50	20	DDGD	
CCN(CC)CCOc1ccc(C(=O)NN(C)[C@@H](C)CO)cc1	1348954254	INLSDRLRLZLYCF-AWEZNQCLSA-N	323.437	1.365	50	20	DDGD	
CCCC[C@H](CN)NC(=O)NNC(=O)c1ccccc1Cl	1261377429	RVAREFIERKFFNT-SNVBAGLBSA-N	312.801	1.802	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)N[C@@H]1C[C@@H]2CC[C@H]1O2	1524037193	KPACDLHXJYCNRP-HBNTYKKESA-N	321.402	1.501	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cccc(C(=O)O)n2)o1	1600341215	SWXVNNWNKHKHNR-UHFFFAOYSA-N	304.262	1.148	50	20	DDGD	
O=C(CCc1cccc(O)c1)NNc1ncccc1C(=O)O	1605687361	QKZGHJKNMATCKK-UHFFFAOYSA-N	301.302	1.561	50	20	DDGD	
O=C(CC[C@@H]1C[C@H](C(=O)O)CO1)NNc1cc(Cl)ccn1	1601284965	JEBYVDZLLPOJJQ-WCBMZHEXSA-N	313.741	1.448	50	20	DDGD	
N#CC1(C(=O)NNc2ccc(C(=O)O)cn2)CCSCC1	1601050973	VMYZNEDGKSLGQN-UHFFFAOYSA-N	306.347	1.260	50	20	DDGD	
Cc1csc(NC(=O)NNC(=O)C2CCC2)c1-c1nn[nH]n1	1606004158	WIJTTZKPFGYPOG-UHFFFAOYSA-N	321.366	1.189	50	20	DDGD	
O=C(Cc1cncc(O)c1)NNc1ccc(C(=O)O)c(F)c1	1601372592	RGXFHONPKSFBIT-UHFFFAOYSA-N	305.265	1.310	50	20	DDGD	
O=C1OC(=O)c2c1cccc2C(=O)c1cccc2c1C(=O)OC2=O	115001320	DLCQVSZPARLPHV-UHFFFAOYSA-N	322.228	1.539	50	20	DDGD	
Cc1cc(C)c(C(=O)O)cc1NC(=O)NNc1ncccn1	1607619225	FLWYAUIRAITNKB-UHFFFAOYSA-N	301.306	1.940	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@@H]2CCCO[C@@H]2c2ccnn2C)CO1	1549315433	NCRZRLTWSPNUDK-QKCSRTOESA-N	306.366	1.169	50	20	DDGD	
O=C(O)CNC(=O)NN=C1c2ccccc2CC12CCOCC2	1610784065	VNAYNHWERLLKJS-UHFFFAOYSA-N	317.345	1.127	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)NN=C1CC[C@@H]2C[C@@H]12	1549904010	FETJPUYTHKZGJI-NWJSVONSSA-N	302.378	1.790	50	20	DDGD	
COc1cc(NNC(=O)[C@@H](N)COC(C)C)ccc1Cl	1579166197	BWXLJAFZKDEDQY-NSHDSACASA-N	301.774	1.544	50	20	DDGD	
CC(C)Oc1ccc(Cl)cc1C(=O)NNC(=O)[C@@H]1CCN1	1575806624	PEFCJISPIOAVEC-NSHDSACASA-N	311.769	1.250	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCCCN2)c1	1573307528	UFBZXQOGKYBKFN-ZDUSSCGKSA-N	302.403	1.128	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccc(Cl)cc2)CC1)[C@@H]1CCN1	1580733317	RRIOBIBPBSWCGS-LBPRGKRZSA-N	307.781	1.172	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1csc(C(F)(F)F)c1	1589012487	NSPMDLICVZTNEG-UHFFFAOYSA-N	309.269	1.875	50	20	DDGD	
O=C(CCCc1cccnc1)NNc1cccc(-c2nn[nH]n2)c1	1582048163	ALAWMXGGLZFKJG-UHFFFAOYSA-N	323.360	1.728	50	20	DDGD	
CC(C)CCCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1589591224	UXBDXUJTGDWUTE-UHFFFAOYSA-N	316.365	1.454	50	20	DDGD	
CC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843363061	OHOAJPHKMVESTR-LLVKDONJSA-N	304.749	1.093	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cnn(C)c1)C2	1845164316	ZBTITDPRUUKODG-GFCCVEGCSA-N	324.812	1.255	50	20	DDGD	
CN(NC(=O)c1cc(C(=O)O)nn1-c1ccccc1)C1CC1	1598540949	HNWVWKRTMQBHGI-UHFFFAOYSA-N	300.318	1.310	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(C(=O)O)cc2)c(O)c1	1594346876	JQEYBJVGFRDMEA-UHFFFAOYSA-N	314.297	1.474	50	20	DDGD	
COc1cc(CNC[C@@H]2[C@H](C)[C@@H]2Cl)ccc1-c1nn[nH]n1	1591535893	GXIKUYPMPRGEEI-KDDOJWQBSA-N	307.785	1.838	50	20	DDGD	
O=C(NNc1cccc(F)c1Cl)N[C@H]1C[C@H](C(=O)O)C1	1594782258	UZSVMFLAARRJDW-LJGSYFOKSA-N	301.705	1.968	50	20	DDGD	
CN(NC(=O)Nc1nc2n(c1C(=O)O)CCC2)c1ccccn1	1598541486	OJHSUSABUPGKGD-UHFFFAOYSA-N	316.321	1.095	50	20	DDGD	
C[C@H](CCCCN)NC(=O)NNc1ccc(F)c(C(=O)O)c1	1592486024	ZQXZSTPJVJMDAG-SECBINFHSA-N	312.345	1.668	50	20	DDGD	
O=S1(=O)C[C@@H](I)[C@H](OC2CCC2)C1	158380485	JTMOUPQLQHYNDY-HTQZYQBOSA-N	316.160	1.156	50	20	DDGD	
Cn1c(C(=O)O)c(C=NNC(=O)C(C)(C)O)c2cc(F)ccc21	1776054880	AMNDCXVQVKEIBQ-UHFFFAOYSA-N	321.308	1.237	50	20	DDGD	
N#CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](F)Cl)C3)CC1	1795846256	DNEPUUXGHFPEFK-VLEAKVRGSA-N	313.760	1.463	50	20	DDGD	
O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1O	5171943	QPCXMKHISIZHNW-UHFFFAOYSA-N	301.258	1.375	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21	11678489	VVWVPURLOJJVON-LLVKDONJSA-N	307.325	1.445	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)c2cccc(F)c2)cc1	15889020	ZHGLRCCAVLSLLN-UHFFFAOYSA-N	313.288	1.537	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(N2CCSCC2)cc1C	162315491	VEGCJYNVPXMHBH-UHFFFAOYSA-N	308.407	1.721	50	20	DDGD	
COC(=O)NNC(=O)Cc1ccc(F)c(Br)c1	158953861	DOUGGYRROJUGMU-UHFFFAOYSA-N	305.103	1.518	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)CN(CC)C1CC1	160814928	WBNLZSIKUFURDH-UHFFFAOYSA-N	319.405	1.260	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNC(=O)c2c[nH]nc2C)cc1	164802979	GLKWKCIUCPVUHE-UHFFFAOYSA-N	316.361	1.466	50	20	DDGD	
CCCC(=O)N1CSC[C@H]1C(=O)NNc1ccccc1F	153127506	LOOKSGQEVPGVCR-LBPRGKRZSA-N	311.382	1.970	50	20	DDGD	
O=C(CCCOc1ccccc1)NNc1ncnc2nc[nH]c12	156311802	QZOCBRNZGZPAAE-UHFFFAOYSA-N	312.333	1.655	50	20	DDGD	
COc1cc(C(=O)NNC(=O)Cn2ccc3ccccc32)on1	155845452	HRYKAWUOGMQXPT-UHFFFAOYSA-N	314.301	1.099	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNC(=O)c1ccncc1	156461694	OSZNMKWGIFYZHQ-VIFPVBQESA-N	301.350	1.376	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NNc1c(F)cccc1F	156607634	VPLWISSXVPROHG-JTQLQIEISA-N	300.309	1.635	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)c2cccc(Cl)c2F)nn1	159899247	LHKSIAGVEPQCIU-UHFFFAOYSA-N	309.688	1.125	50	20	DDGD	
C[C@H](O)[C@H]1CCN(S(=O)(=O)c2ccc(CCCl)cc2)C1	168257689	MGTXJQFTNWHMDG-AAEUAGOBSA-N	317.838	1.859	50	20	DDGD	
O=C(COC(=O)[C@H]1CC=CCC1)NNC(=O)c1ccccc1	6291004	FKMALHQBPMWTLU-ZDUSSCGKSA-N	302.330	1.347	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1c[nH]nc1-c1cccnc1	107045499	IJJJHDJMJGEEPB-UHFFFAOYSA-N	303.322	1.641	50	20	DDGD	
CCOc1cccc(C(=O)NNC(=O)Cn2nc(C)cc2C)c1	54820909	LZDYDSAUSIVUSF-UHFFFAOYSA-N	316.361	1.360	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)N[C@H]1CCOC1	179167191	MSBZYHDXLBMAIE-AWEZNQCLSA-N	313.357	1.502	50	20	DDGD	
CNC(=O)NNC(=O)c1sc(Cc2ccccc2)nc1C	56377235	XVFWMYUQNVWPMU-UHFFFAOYSA-N	304.375	1.616	50	20	DDGD	
CCCCCC(C)(C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1	177081698	HZBLBYXJZXSAMX-NSHDSACASA-N	318.439	1.175	50	20	DDGD	
CCO[C@H](CCNC(=O)NNC(=O)c1ccc[nH]1)C1CCCC1	176509186	JGPDCEBSQRRUGT-CQSZACIVSA-N	322.409	1.944	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2cn(C)nc2C)c1	113140919	NENBKGHZNBQSGO-UHFFFAOYSA-N	316.361	1.185	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1ccc2c(c1)CCC2	65207611	RKPDESSXWAWOIO-UHFFFAOYSA-N	305.378	1.085	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCNC(=O)c1ccc(C)c(F)c1	178953164	KLLBGDBXQBHSMI-JLHYYAGUSA-N	319.336	1.424	50	20	DDGD	
Cn1cc(/C=C/C(=O)NNC(=O)c2ccc3ccccc3n2)cn1	27688122	HNSCAEQFDPTPCK-RMKNXTFCSA-N	321.340	1.443	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCC[C@H]2C[C@H]3CC[C@@H]2C3)cn1	172226236	KCISRKALTDCNQZ-TUAOUCFPSA-N	305.382	1.190	50	20	DDGD	
O=C(C[C@H](O)c1cccc(F)c1)NNC(=O)c1ccccc1	305495643	JHWSINYTERSIPS-AWEZNQCLSA-N	302.305	1.710	50	20	DDGD	
O=C(C[C@@H](O)c1cccc(F)c1)NNC(=O)c1ccncc1	179601127	VEPJZNCVJHECDW-CYBMUJFWSA-N	303.293	1.105	50	20	DDGD	
Cc1cc(NNC(=O)CN(C)C(=O)c2cccs2)ncn1	172271864	IQGGQZZBRXADKJ-UHFFFAOYSA-N	305.363	1.062	50	20	DDGD	
COC(=O)CC(=O)NNC(=O)COc1cc(C)ccc1C(C)C	20114353	IYIFLSLQHGGIDP-UHFFFAOYSA-N	322.361	1.208	50	20	DDGD	
C[C@@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)NNc2cccnn2)C1	172453693	AHUJIZURRYBFNO-JHJVBQTASA-N	306.414	1.469	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)o1	173265615	ONSCCSABQDOOKZ-UHFFFAOYSA-N	305.246	1.277	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	173073077	IVVVXNMANKMGFR-GFCCVEGCSA-N	324.352	1.723	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cc(C(C)(C)C)nn1C	1351103893	WEUAZGAIDCWQBB-UHFFFAOYSA-N	305.382	1.674	50	20	DDGD	
COc1ccc(C(=O)CCC(=O)NNC(=O)C(C)(C)C)cc1	128691896	SGBCOAORUPAYAD-UHFFFAOYSA-N	306.362	1.852	50	20	DDGD	
O=C(C[C@@H]1COC(=O)C1)NNc1nc(-c2ccccc2)no1	123177763	JZEGRHSJPJKQJN-VIFPVBQESA-N	302.290	1.133	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Cc1cc[nH]n1)c1ccc(F)cc1	124898982	DBAJKCSYWLTNNJ-CYBMUJFWSA-N	304.325	1.433	50	20	DDGD	
O=S(=O)(NC[C@@H]1CCCO1)c1ccc(CCCl)cc1	20190718	MWKZMEAWKLBZSG-LBPRGKRZSA-N	303.811	1.925	50	20	DDGD	
CN(NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C(N)=O	181066747	LCAWZQUDCDJPSO-GFCCVEGCSA-N	308.357	1.079	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2nnc(C3CC3)s2)c1	184516428	OEKHKUSRVPYIIJ-UHFFFAOYSA-N	317.374	1.532	50	20	DDGD	
O=C(NNc1ccccc1F)C(=O)N1CCc2c(F)cccc21	187583067	JMHDHQMZXKRVES-UHFFFAOYSA-N	317.295	1.997	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)c1ccc(O)cc1O	182826292	DOOORLFNRASPOO-UHFFFAOYSA-N	302.315	1.859	50	20	DDGD	
COc1nc(C(=O)NNC(=O)c2cccn2C)cc2ccccc12	123215815	DYWXVDJPHZTZGZ-UHFFFAOYSA-N	324.340	1.657	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2csnc2C)cc1	181086354	GMOUUTAKSKKMJC-UHFFFAOYSA-N	304.375	1.633	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(Cn2cccn2)cc1	77219961	WDCPWZWJDMJELC-UHFFFAOYSA-N	300.362	1.739	50	20	DDGD	
CC(C)CC1(CNC(=O)NNC(=O)c2cnn(C)c2)CCC1	128047614	PUTUICFLLOBNLH-UHFFFAOYSA-N	307.398	1.581	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NNC(=O)c2ccccc2)cc1	181531122	QSPANTXRHVIMGX-UHFFFAOYSA-N	312.329	1.513	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)N[C@@H]2CCCOCC2)c1	181818670	DEHMSJDRQPVFHK-CYBMUJFWSA-N	320.393	1.266	50	20	DDGD	
CC(C)(C)C[C@H](CO)NC(=O)NNC(=O)c1ccc(C#N)cc1	180861471	SQEJJBQTGQFEIO-CYBMUJFWSA-N	318.377	1.299	50	20	DDGD	
O=C(NNC(=O)c1nn[nH]c1-c1ccccc1)c1ccccc1	188853287	SRJRCJMCWSGARL-UHFFFAOYSA-N	307.313	1.547	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](C)Cc1c(C)nn(C)c1C	131908962	IRPZHJYDKKQLTF-SECBINFHSA-N	318.381	1.157	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1n[nH]c2c1CCCCC2	188147624	AMZNSRQLIWTJEK-UHFFFAOYSA-N	306.757	1.879	50	20	DDGD	
N[C@@H](CNS(=O)(=O)c1ccc(CCCCl)cc1)C1CC1	194732538	HSUQYTVQNLYTPH-AWEZNQCLSA-N	316.854	1.874	50	20	DDGD	
O=C(CCc1c[nH]cn1)NNC(=O)c1cccc2ccccc12	193335805	LHNFPMKQKFRMFU-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNC(=O)NCC1CCCC1	47014516	LQAGGQBLKZPGHM-UHFFFAOYSA-N	316.361	1.458	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@H]1CCCc2cccnc21	194565278	YPPSCZNULRLSGY-AWEZNQCLSA-N	310.357	1.287	50	20	DDGD	
COc1nccnc1NNC(=O)c1cccc(-c2ncn[nH]2)c1	132143765	ABPCWOVHHMVRQB-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
CCc1ccc(C(=O)NNS(=O)(=O)CCCCCl)cc1	190716962	GFPJDOOOTJSGDR-UHFFFAOYSA-N	318.826	1.832	50	20	DDGD	
C[C@@H](CBr)CN1CCN(c2cnn(C)c2)C(=O)C1	133871131	NHNGFCQDFMETAL-JTQLQIEISA-N	315.215	1.100	50	20	DDGD	
CCOC(=O)CC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	192740327	WHBNYESNUGRZGD-UHFFFAOYSA-N	322.405	1.694	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cc(Cl)c(O)c(OC)c1	192545013	YDUDOFMAUFEHRC-YHYXMXQVSA-N	310.737	1.724	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1cc(F)ccc1O	81931921	YLUTZGKONIKDLP-UHFFFAOYSA-N	306.268	1.674	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H]2CC(c3cccnc3)=NO2)n1	191686879	LWXBOWGCWIXOGY-CYBMUJFWSA-N	312.333	1.125	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)n1	248582021	FLUXCHPDAFFBGC-UHIISALHSA-N	321.425	1.655	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1	245623463	BPVFQOUIZKVCFC-FRRDWIJNSA-N	309.410	1.265	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N(C)C[C@H]1CCCOC1	264636373	UYTRRASCDZRJMX-CYBMUJFWSA-N	305.378	1.708	50	20	DDGD	
COCCOc1ccccc1CNC(=O)NNc1cccnn1	265478868	OZKYFDYTPZANLH-UHFFFAOYSA-N	317.349	1.328	50	20	DDGD	
CN(C[C@H]1CCOC1)C(=O)NNC(=O)C(C)(C)c1ccccc1	267630344	YAXLZOAXHGWIEV-CYBMUJFWSA-N	319.405	1.673	50	20	DDGD	
COC(=O)C[C@H](C)NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	265126436	JOUYRPQEUMVCQA-FYTLYHSASA-N	314.345	1.180	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)C1=Cc2ccccc2OC1)C1CC1	267624021	OROTXWVEOLFKTC-SNVBAGLBSA-N	317.414	1.756	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2csc(NC3CC3)n2)n1	265794388	JFBUKTHQZBZQFS-UHFFFAOYSA-N	304.379	1.881	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](C)COCC(F)(F)F)nn1	264348524	CEXNYFCAYVLEBX-QMMMGPOBSA-N	307.276	1.379	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2nc(C)cc(OC)n2)c1C	266971840	WZPPSDULSQJJEB-UHFFFAOYSA-N	304.354	1.384	50	20	DDGD	
CCC(CC)n1ccc(C(=O)NNC(=O)Cc2ccncc2)n1	269491490	SPPJAUFFVFVRDP-UHFFFAOYSA-N	315.377	1.643	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H]2CCO[C@H]2C2CC2)cc1	362085958	UGHURYSZWDWCOV-CABCVRRESA-N	317.389	1.761	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](O)CCc2ccccc2)nc1	275649739	UHUZFWRFVBIVIQ-CQSZACIVSA-N	301.346	1.527	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NC[C@H](O)C1CCOCC1	273115937	DCURAZJGWIRSHA-MBSJSRAVSA-N	318.348	1.636	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)NCCSC)cc1F	271224279	DJAWLEQCSPNWCD-UHFFFAOYSA-N	317.411	1.306	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NOC[C@H]2CCOC2)c1	276340531	PZXAYOSEMRYCMK-JTQLQIEISA-N	309.322	1.067	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2cc(F)c(F)c(F)c2)CC1	281534516	JZGVHPQWTAOXLF-UHFFFAOYSA-N	308.281	1.124	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCCn1cnc(C#N)n1	287003508	UQJKCQUSFFZBRG-VIFPVBQESA-N	314.187	1.076	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1	286197088	DGQYPTYABXEOAQ-GHMZBOCLSA-N	322.365	1.038	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCCC2(C)CC2)c1	280329612	JBRSEXYZNBPIOT-UHFFFAOYSA-N	304.394	1.887	50	20	DDGD	
COCCN(C)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F	297164617	STADDFKHQXNRMH-UHFFFAOYSA-N	321.255	1.837	50	20	DDGD	
Cc1nnc2n1C[C@@H](C(=O)NNC(=O)Nc1ccccc1)CC2	801986845	IZPDUQGRVHZJSD-NSHDSACASA-N	314.349	1.002	50	20	DDGD	
COCC[C@H](C)NC(=O)NNC(=O)Nc1cc(F)cc(F)c1	296441887	UJOILMHFIMBMEZ-QMMMGPOBSA-N	316.308	1.726	50	20	DDGD	
Cc1cn(-c2ccc(F)cc2)nc1C(=O)NNC(=O)N(C)C	801143426	FYUURSKAGMMOJW-UHFFFAOYSA-N	305.313	1.236	50	20	DDGD	
O=C(CCCCN1CCOCC1)NNc1cccc(Cl)n1	293816044	ZAJHJJICZJTZAR-UHFFFAOYSA-N	312.801	1.681	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNC(=O)CNc1ccc(C)cc1	290003662	LJIJHQRIAPPBAO-LBPRGKRZSA-N	321.377	1.144	50	20	DDGD	
CN1CCOc2ccc(C(=O)NNC(=O)CC(F)(F)F)cc21	806537493	QFTIOPJNPFTTMV-UHFFFAOYSA-N	317.267	1.229	50	20	DDGD	
CCN(CC)CCOc1ccc(C(=O)NN(C)CCOC)cc1	296958014	CSKJFBXGVGWTNL-UHFFFAOYSA-N	323.437	1.630	50	20	DDGD	
Cc1nnc(COCC(=O)OC[C@H](C)CBr)s1	803727439	PIGVWMKSSWSTHT-SSDOTTSWSA-N	323.212	1.937	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)no1	802100275	LVXPJHHUQVLJNL-UHFFFAOYSA-N	304.262	1.178	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccc3ccccc3n2)n1	809980485	NZJLQCVJOYAYLL-UHFFFAOYSA-N	317.308	1.576	50	20	DDGD	
COCCC[C@H](C)C(=O)NNC(=O)Nc1ccc(OC)cc1	802052102	FUVVSUJMAXGMPG-NSHDSACASA-N	309.366	1.911	50	20	DDGD	
C[C@H](NC(=O)C1CCCC1)C(=O)NNC(=O)c1ccccc1F	298687125	YWSVSKXGIWZTPS-JTQLQIEISA-N	321.352	1.282	50	20	DDGD	
Cn1nnc2c1C[C@@H](C(=O)NNc1ccccc1Cl)CC2	291295446	NDZCYOZGPZBRPD-VIFPVBQESA-N	305.769	1.717	50	20	DDGD	
Cc1nc(C(C)C)nc(O)c1C(=O)NNc1ncccc1F	804216375	IMKDRXBECOTULW-UHFFFAOYSA-N	305.313	1.905	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cccc(-c2ccccc2)c1	806971139	VXZARVANMOKJCL-UHFFFAOYSA-N	311.341	1.850	50	20	DDGD	
COCCOCCCCNC(=O)NNc1cccc(Cl)n1	814294481	PPLBAGKMIGCOQO-UHFFFAOYSA-N	316.789	1.804	50	20	DDGD	
CO[C@H](CC(C)C)CS(=O)(=O)NCCSSC	817140071	MSQHEIFEQDDIFN-SNVBAGLBSA-N	301.499	1.978	50	20	DDGD	
COCc1cccc(CNC(=O)NNc2ncncc2F)c1	814281110	JKGYOQROYUWPAV-UHFFFAOYSA-N	305.313	1.588	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2cc(Cl)ccc2O)CC1(F)F	817709321	PPAKHPCYNCBQDK-LLVKDONJSA-N	304.680	1.852	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CC[C@H](CC(=O)O)[C@@H]1C	814864736	HXKVXTWPKLRCHP-HBNTYKKESA-N	300.355	1.031	50	20	DDGD	
CC(=O)[C@H]1CC(C(=O)NN(C)C2CC2)=NN1c1ccccc1	819647204	JSDCTGLOUBLCTD-OAHLLOKOSA-N	300.362	1.336	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=S)NC1CCC1	814192239	TZQOLPCIBVCAMY-UHFFFAOYSA-N	302.403	1.758	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)CCN2CCCCCC2)n1C	811634779	BEKJMVWMYWLUPG-UHFFFAOYSA-N	320.441	1.202	50	20	DDGD	
Cn1c(NNC(=O)c2cccc(C(N)=O)c2)nc2ccccc21	816578860	RYCCLPUMYYCYPO-UHFFFAOYSA-N	309.329	1.429	50	20	DDGD	
CCNC(=O)N(C)N=Cc1ccc(Cl)cc1-n1cncn1	814891348	HRWAMGVDCOKLFH-UHFFFAOYSA-N	306.757	1.916	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=CCC(F)(F)F)C[C@@H](C)O1	817323158	SUQKWMICSNCJMS-GARJFASQSA-N	309.332	1.786	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1cc(C(=O)O)cs1	814788071	AWBJMYQDJLSENR-UHFFFAOYSA-N	306.347	1.561	50	20	DDGD	
CC(=NNC(=O)CSc1ccccc1O)c1cnnn1C	814970622	WKUBUODWVLZNIQ-UHFFFAOYSA-N	305.363	1.153	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1ccc2c(c1)OCCO2	813465119	LPIJWYDSOQGUJB-UHFFFAOYSA-N	314.301	1.319	50	20	DDGD	
Cc1cc(C)cc(N2CC[C@H](C(=O)NN(C)[C@H](C)CO)C2=O)c1	823964997	HEADNMVTZLJCMQ-UKRRQHHQSA-N	319.405	1.000	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCc1ccccc1OC(F)(F)F	823959410	IAANXZRTOKXBJN-SNVBAGLBSA-N	320.311	1.862	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	823934223	DOOBEQCLMCYFQN-SZEHBUNVSA-N	302.296	1.551	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CC(C)(C)O2	495326460	LHFLSGZDLDSADS-UHFFFAOYSA-N	321.333	1.116	50	20	DDGD	
CCCN1CC[C@H](NC(=O)NNC(=O)c2ccc(Cl)cc2)C1	823059429	YTPVVNUSSWVJCR-ZDUSSCGKSA-N	324.812	1.768	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2scnc2c1	823476492	ZHLIMFRNSIVRAD-WPRPVWTQSA-N	305.359	1.482	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1c(C)nn(CC(C)C)c1C	495291854	NAWWUZHRTNIYGF-UHFFFAOYSA-N	318.399	1.095	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1ccc([Si](C)(C)C)cc1	820528013	OMEXCNOCMUAEMM-UHFFFAOYSA-N	323.469	1.099	50	20	DDGD	
CC(C)(C)[C@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)CC1	584951368	NECFHGJPPHLABQ-LBPRGKRZSA-N	321.201	1.794	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCC(=O)OC(C)C)cc(C#N)n1C	729383849	FHVXVQPECFAFML-WLRTZDKTSA-N	314.345	1.180	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1ccc([N+](=O)[O-])cc1)C(C)(C)C	826999394	RZFCIHWGQDKPIH-GFCCVEGCSA-N	308.338	1.589	50	20	DDGD	
C[C@H]1SCC[C@@H]1NC(=O)NNC(=O)c1cccc(N(C)C)c1	827642424	CEVXHMMPVPSDCH-MFKMUULPSA-N	322.434	1.591	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCS[C@H]2CCCC[C@H]21	584961226	RRSVRFWEEMMMKV-KGLIPLIRSA-N	323.198	1.006	50	20	DDGD	
C#CCO[C@@H](C)C(=O)NNC(=O)CCSc1ccc(F)cc1	822209908	DJVYNZKGVOQBHR-NSHDSACASA-N	324.377	1.494	50	20	DDGD	
CCc1ccc(-c2cc(C(=O)N3CC[C@@H](B(O)O)C3)no2)cc1	902551412	FURROKBZNSCQFE-CYBMUJFWSA-N	314.150	1.593	50	20	DDGD	
O=C(C[C@H]1OCCc2ccccc21)NNC(=O)NC1CCCC1	734429594	LUUSULHJETYFJX-OAHLLOKOSA-N	317.389	1.964	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1cnn(CC2CCC2)c1	901228287	VNFISZCMXYRLPC-UHFFFAOYSA-N	318.425	1.364	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1cc(F)cc(F)c1	494541120	XEISRGRVLQNUMR-UHFFFAOYSA-N	313.304	1.940	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)C1(C)CCN(Cc2ccccc2)CC1	823935057	MSBXGLHUWAXLKB-HNNXBMFYSA-N	319.449	1.633	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H]1CCC[C@H]1c1ccccc1	822786124	KPDYNKPSTBJUHA-GJZGRUSLSA-N	319.405	1.937	50	20	DDGD	
C#CCCN1CCC(NC(=O)[C@]2(C)C[C@@H]2Br)CC1	906775453	SRAOLIBLIPHNOV-GXTWGEPZSA-N	313.239	1.764	50	20	DDGD	
C[C@]1(C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)C[C@@H]1Br	906959446	BEHPYLYRLMKSRE-ZPFDUUQYSA-N	318.211	1.566	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1cc2ccccc2n(C)c1=O	490940972	JWVVAXPSXKEZGM-SDNWHVSQSA-N	311.341	1.599	50	20	DDGD	
CC[C@H](COC)NC(=O)NNc1ccc(C(=O)OC)c(F)c1	838487354	XGDUMIPMOFXNBD-SECBINFHSA-N	313.329	1.663	50	20	DDGD	
O=C(/C=C\c1cccs1)NNC(=O)COc1ccccc1O	730781832	YUUGSTUZGLYSIH-FPLPWBNLSA-N	318.354	1.693	50	20	DDGD	
C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)c1ccc(B(O)O)cc1	584985791	QWSQKCGYIRSTEC-WMLDXEAASA-N	323.201	1.775	50	20	DDGD	
Cc1cc(C)c(S(=O)(=O)N2CC=C(C#N)CC2)cc1C(=O)O	906925036	JBNKBJJGPNXKIM-UHFFFAOYSA-N	320.370	1.846	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@]2(C)CCCCO2)cc1	839482658	JCLVCGOWPMPWEJ-INIZCTEOSA-N	305.378	1.514	50	20	DDGD	
O=C(c1ccccc1CCC(F)(F)F)N1CC[C@@H](B(O)O)C1	585064961	UEFFIMZCDMFYPT-LLVKDONJSA-N	315.100	1.870	50	20	DDGD	
O=S(=O)(CBr)N[C@H](c1ccncc1)C1CC1	908391519	ZLLWBGBNWYVHOF-JTQLQIEISA-N	305.197	1.805	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@]2(C)C[C@H]2Br)C[C@]2(CCOC2)O1	907918218	MDEQPIWNYGYIOB-WFFHOREQSA-N	318.211	1.566	50	20	DDGD	
O=C(NC[C@H]1CCCC1(F)F)NNC(=O)[C@H]1CCCCO1	836603431	MVJGVTUMAGXQRQ-NXEZZACHSA-N	305.325	1.321	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1C[C@@H]2C3CCC(CC3)[C@H]2C1	585008212	MDOIGCFAZWQAAY-GVOSGWPFSA-N	317.169	1.014	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2nn(-c3ccccc3)cc2O)[C@@H](C)O1	834930746	KWRNWDYRDKRWDD-WDEREUQCSA-N	314.345	1.861	50	20	DDGD	
CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cc(B(O)O)ccc1F	584953956	ARAJVYZGLUVVPL-IAQYHMDHSA-N	307.174	1.546	50	20	DDGD	
C[C@H]1CN(c2ccccc2C=NNC(=O)c2ncon2)CCO1	901287015	ZUKUYRKGRVCGRK-NSHDSACASA-N	315.333	1.059	50	20	DDGD	
O=C(NNS(=O)(=O)c1cccc2ccoc12)[C@@H]1CCCCO1	830037686	URRGRVYUQYSULA-NSHDSACASA-N	324.358	1.311	50	20	DDGD	
N#Cc1cnc2c(F)cc(F)cc2c1N1CC[C@@H](B(O)O)C1	585073891	PXAIBQQNZBTQTC-SECBINFHSA-N	303.077	1.438	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(F)cc([N+](=O)[O-])c2)nc(C)n1	736716744	KIAMFCPNDBQDJK-UHFFFAOYSA-N	305.269	1.898	50	20	DDGD	
Cc1ccn(-c2ccc(C(=O)NNC(=O)c3ccc[nH]3)cc2)n1	915619749	MFQAYRJPGDVZST-UHFFFAOYSA-N	309.329	1.584	50	20	DDGD	
CCn1ncc(C(=O)NNC(=S)NCC2CCC2)c1C1CC1	912109355	WVQHNEXVHMIODR-UHFFFAOYSA-N	321.450	1.689	50	20	DDGD	
N#CSCCCNS(=O)(=O)C1=Cc2ccccc2OC1	916992526	NPZCUOPLAVCUQY-UHFFFAOYSA-N	310.400	1.944	50	20	DDGD	
CO[C@H]1CC(=NNC(=O)COc2ccccc2O)C12CCC2	834983615	ZXDSSDXPFCXDQC-AWEZNQCLSA-N	304.346	1.832	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)[C@@H]1CCCCO1)c1ccncc1	838536044	YYWPXIIIZZCZNB-ZDUSSCGKSA-N	320.393	1.259	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@@H]2CCCC2(F)F)n1	836602550	IFRGAOINFCNWNP-VIFPVBQESA-N	315.324	1.855	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)C12CC3CC(CC(C3)C1)C2	744823925	JPRPRIGCEXBCAC-UHFFFAOYSA-N	303.406	1.974	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H](C)C(F)(F)F)cc1	743319830	KNPHVBXGSFJYCP-SECBINFHSA-N	318.295	1.974	50	20	DDGD	
Cc1nc(C(C)C)ncc1C(=O)NNC(=O)OCC(F)(F)F	912596726	IBRLLYLANLVADU-UHFFFAOYSA-N	320.271	1.842	50	20	DDGD	
CC(CN1Cc2ccccc2C1=O)=NNC(=O)[C@H]1CCO[C@H]1C	842560999	OEXAPABWEDMAIS-JSGCOSHPSA-N	315.373	1.560	50	20	DDGD	
C[C@@H](CN)CNC(=O)NNC(=O)Cc1ccc2ccccc2c1	841962599	LFXIIBQUWRHGIV-LBPRGKRZSA-N	314.389	1.308	50	20	DDGD	
O=C(NC[C@@H](CCO)c1ccccc1)NNC(=O)C1CCCC1	741091694	WHMBROMAUFDCAW-OAHLLOKOSA-N	319.405	1.673	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cc(-c3ccccc3)no2)n1	740108259	VCXXWFHWULOJNH-UHFFFAOYSA-N	324.344	1.955	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)NC1CC(F)(F)C1	847363427	YRWFQKAUKIYZHK-UHFFFAOYSA-N	322.113	1.663	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@H]1C[C@H]1C1CCC1	845078585	FFKZFHAHBMPVLF-QWHCGFSZSA-N	318.373	1.658	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CCC(=O)C1	843753738	KGRRBXMISLCBDM-ZJUUUORDSA-N	308.309	1.110	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H](c1cccc(F)c1)N1CCOCC1	742034279	GVFBPUUIADWRON-AWEZNQCLSA-N	323.368	1.002	50	20	DDGD	
CC[C@](O)(CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccccc1	843964270	CFOXGJOTUWEHPB-QEORTHHSSA-N	320.389	1.247	50	20	DDGD	
CC(C)N1C(=O)C(=NNC(=O)C[n+]2ccccc2)c2ccccc21	916271116	MIKMLEVOXITEQX-UHFFFAOYSA-O	323.376	1.250	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)c2ccn(CCN(C)C)n2)c1	847601704	CPRHBGMRKCAPEJ-UHFFFAOYSA-N	301.394	1.818	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)[C@H](C)c1ccccc1	746368998	KYCFAUIPAXIDPY-SMDDNHRTSA-N	308.403	1.717	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCC[C@@H]2C[C@H]3C=C[C@H]2C3)n1	847404244	VQPNQDRYRWTJJF-MELADBBJSA-N	314.389	1.936	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1CC(=O)NNC(=O)CCc1ccccc1	746189748	CEQDYFPETQLIRA-OKILXGFUSA-N	303.406	1.639	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NC[C@@H](N)C(C)C)ccc1F	841944400	HIOJJRMYRANRLH-GFCCVEGCSA-N	312.345	1.222	50	20	DDGD	
C[C@@H](Oc1cccc(C=NNC(=O)c2cccn2C)c1)C(=O)O	746683419	VSWVYSHXOKYVDP-LLVKDONJSA-N	315.329	1.641	50	20	DDGD	
C[C@H](CN)NC(=O)NNc1c(F)cc(F)cc1Br	841971117	LDRNVNJHZGDZMK-RXMQYKEDSA-N	323.141	1.701	50	20	DDGD	
Cc1ccc2cc(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)[nH]c2c1	843972675	HNDTXQKDHWWBHI-JQWIXIFHSA-N	301.346	1.662	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN(CC(F)(F)F)C1)C1CCCC1	919812407	CAGYLMJGNBWPND-LLVKDONJSA-N	321.343	1.598	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC(F)(F)F)nn1C(C)(C)C	918367043	KIZSKNDFLOLINU-UHFFFAOYSA-N	306.288	1.660	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2F)nn1C	747331008	NPXZCEOLJMSNAI-UHFFFAOYSA-N	310.716	1.596	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)COc2ccc(C)c(C)c2)[C@H]1OC	841607342	VSOAKBQEGJOATJ-NVXWUHKLSA-N	320.389	1.978	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1ccccc1OCCN(C)C	746726428	QYPVJUQBQDSYJH-UHFFFAOYSA-N	322.409	1.113	50	20	DDGD	
COC/C(C)=C/C(=O)NNC(=O)c1cc(Br)c[nH]1	845110043	WBXIQNNTXHVLRX-XVNBXDOJSA-N	316.155	1.131	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc(O)n1	843663836	YPQZJXDBCGQKRM-GXSJLCMTSA-N	307.350	1.097	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H]1CCc2cncn2C1	844136206	AITUBSXZASJPRV-NSHDSACASA-N	314.345	1.375	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cc1ccc(Cl)c(F)c1	843655004	LMVRHKVBUFZACQ-WCBMZHEXSA-N	314.744	1.594	50	20	DDGD	
C[C@@H](C(=O)NNc1ncccc1C(F)(F)F)n1cncn1	740098495	YKUHUKXALHUTNR-ZETCQYMHSA-N	300.244	1.396	50	20	DDGD	
CCOCCOCCNC(=O)NNC(=O)c1cc(C)cs1	927533481	KHPIACGWTBAEKH-UHFFFAOYSA-N	315.395	1.054	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNc1ncc(Br)cn1	848322488	DFEFREIAEADHDU-HTQZYQBOSA-N	317.187	1.601	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](C)Cc2cnc[nH]2)cc1F	848209421	KUHJJLIHQPZTSS-SECBINFHSA-N	320.324	1.657	50	20	DDGD	
COCCOCCC(=O)NNC(=O)c1cc2c(s1)CCC2	920340443	OCOXMVUBNFPCDV-UHFFFAOYSA-N	312.391	1.051	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)[C@@H](O)c1cccnc1	755288180	DSFZHBRGDOLVLV-JTQLQIEISA-N	313.239	1.067	50	20	DDGD	
C[C@@]1(CNc2ncccc2S(N)(=O)=O)C[C@@H]1Br	856787018	UNPGHACYUXEYGS-WPRPVWTQSA-N	320.212	1.314	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cc(O)cc(Br)c1	858866102	UIIUTVNXOLPYOE-UHFFFAOYSA-N	316.155	1.507	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@@H](CC(N)=O)C2)C[C@H]1Br	856898073	WKQYSFVSAYQMJP-YGOYTEALSA-N	318.215	1.067	50	20	DDGD	
CCc1ccc(C#CC(=O)NNC(=S)N[C@@H](C)C2CC2)cc1	855095738	RGQOLHHNUQUDFV-LBPRGKRZSA-N	315.442	1.894	50	20	DDGD	
CN(C)CCn1ccc(NC(=O)NNc2ncc(Cl)cn2)n1	856842554	NSGNHZYNHHHZGN-UHFFFAOYSA-N	324.776	1.037	50	20	DDGD	
CC(C)N1CCC[C@@H]1C(=O)NNC(=O)Cc1ccc(F)cc1	929331303	RWFCGYQGVWOHHE-CQSZACIVSA-N	307.369	1.388	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)NCc1ccco1)c1ccncc1	858782528	SUKIXWZLUGSBHG-LLVKDONJSA-N	302.334	1.699	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)C(=O)NNC(=O)c1cccc(Cl)n1	857325955	NJWHVPICUAIECN-SSDOTTSWSA-N	322.752	1.905	50	20	DDGD	
CN(C)C(=O)OCCNC(=O)/C(C#N)=C\c1ccc(O)cc1	855647923	MTOOFYLZOGHPTF-XFXZXTDPSA-N	303.318	1.114	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)CC(F)(F)F)c1ccccc1	920299663	LNPKXAHKLTVZJE-NSHDSACASA-N	304.268	1.864	50	20	DDGD	
C[C@]1(CN2C(=O)[C@@H]3C[C@H](F)CN3C2=O)C[C@@H]1Br	857227567	QBEMCQFFBTUHGK-CIOUSYIGSA-N	305.147	1.535	50	20	DDGD	
CC(C)=C(C)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1	750941676	PEFFPQMXKKRVMN-UHFFFAOYSA-N	315.329	1.219	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H]2CCCc3nn[nH]c32)n1	854956089	DOKASNFARMOICO-ZETCQYMHSA-N	307.745	1.120	50	20	DDGD	
C[C@@H]1CN(C[C@H](CBr)C2CC2)CCS(=O)(=O)C1	859280030	HTXJZSDMPPUQMU-PWSUYJOCSA-N	324.284	1.774	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1cnc2n1CCCCC2	857092334	OJHWGKPFSMOVCW-UHFFFAOYSA-N	304.394	1.951	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cccnc1C1CC1	854284154	YQDNBHWKWHAODT-UHFFFAOYSA-N	322.434	1.447	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NCCc1ccoc1	852132323	QAZFYNGVWRAZGV-UHFFFAOYSA-N	317.345	1.369	50	20	DDGD	
C=CC[C@H]1CCCN(CC(=O)NNC(=O)c2ccccc2)C1	852408752	ABHZXCQVVMFHQT-AWEZNQCLSA-N	301.390	1.736	50	20	DDGD	
COc1ccc(C2(C(=O)NNC(=O)c3cc[nH]n3)CCC2)cc1	855358694	SOSBNNUTFZQWGW-UHFFFAOYSA-N	314.345	1.301	50	20	DDGD	
Cc1cc2c(cc1NC(=O)NNC(=O)c1ccc[nH]1)OCO2	757980026	ZYVPSTJCEBESKX-UHFFFAOYSA-N	302.290	1.518	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NC[C@]1(C)C[C@@H]1Br	857388517	TVHHGBRGDDVSAN-PTRXPTGYSA-N	306.200	1.865	50	20	DDGD	
O=C(NNC(=O)c1csc(C2CC2)n1)OCC(F)(F)F	856024073	GNIFZFFHKNNAAK-UHFFFAOYSA-N	309.269	1.954	50	20	DDGD	
CCCCCc1nnc(NC(=O)NNC(=O)c2cc[nH]n2)s1	854197320	GJFALKNXNIKFEF-UHFFFAOYSA-N	323.382	1.460	50	20	DDGD	
C#CC[C@H](CCOC)NC(=O)NNC(=O)c1ccccc1F	858405920	VBFLVYXVJGCXCT-LLVKDONJSA-N	307.325	1.198	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)CC[C@H]1C	758724161	JHRDWQPCVKHBGA-UHXUPSOCSA-N	317.455	1.192	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN(CCCO)Cc1ccccc1	767901494	HXUYEPIWWFYSMR-UHFFFAOYSA-N	321.421	1.065	50	20	DDGD	
CC[C@@H](C)n1nc(NC(=O)NNC(=O)c2cn[nH]c2)cc1C	860879398	ARCWPVJUBLZXAI-MRVPVSSYSA-N	305.342	1.352	50	20	DDGD	
COCCOCCCNS(=O)(=O)CC(C)(C)CCl	866428608	DRHKUKDTTJGCJD-UHFFFAOYSA-N	301.836	1.224	50	20	DDGD	
CC[C@@](C)(NC(=O)NNC(=O)Cc1cc[nH]n1)C(F)(F)F	933514763	FBIUGZGRVJNXNR-SNVBAGLBSA-N	307.276	1.014	50	20	DDGD	
O=C(NNC(=O)C1CSC1)c1cc(-c2cccs2)[nH]n1	867070813	UHRBEXJHGQTJMG-UHFFFAOYSA-N	308.388	1.262	50	20	DDGD	
COc1ccc(C)nc1NC(=O)NNC(=O)Cc1ccncc1	765289544	BDZPAZMHKFHUQL-UHFFFAOYSA-N	315.333	1.189	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C=C2CCC(C)(C)CC2)n[nH]1	869014726	KCGFJKKIKDCRMP-UHFFFAOYSA-N	304.394	1.935	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=C1CCS(=O)CC1	761801733	NOPACHHPADJDBI-UHFFFAOYSA-N	318.402	1.359	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccnc1)c1scnc1C	763196037	RBRKCWHHNVXJDJ-UHFFFAOYSA-N	317.374	1.117	50	20	DDGD	
CN(C)c1ccc2c(c1)NC(=O)C2=NNC(=O)CC(F)(F)F	761783318	XNTVVQRFWMZAIL-UHFFFAOYSA-N	314.267	1.477	50	20	DDGD	
COc1c(C)ccc(NC(=O)C(=O)NNC(=O)C(C)C)c1C	763816069	CWAIFPVXUCJSEX-UHFFFAOYSA-N	307.350	1.054	50	20	DDGD	
CCCC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(OC)cc1	863150346	SHKUANLNQYGPPT-AWEZNQCLSA-N	303.362	1.594	50	20	DDGD	
Cc1cc(F)cc(NC(=O)C(=O)NNC(=O)CC(F)(F)F)c1	764115777	VLLTXAWITOFYTG-UHFFFAOYSA-N	321.230	1.172	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1cncnc1	760798159	FKXFKFDRTXBVCD-UHFFFAOYSA-N	315.402	1.979	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)C1(Cc2ccc(Cl)cc2)CC1	768242951	COWDHBKLONXTER-UHFFFAOYSA-N	310.781	1.581	50	20	DDGD	
CN[C@@H](C)CCNC(=O)NNc1ccc(C(=O)OC)c(F)c1	1118031987	GKLCMSLSJIHSCC-VIFPVBQESA-N	312.345	1.236	50	20	DDGD	
O=C(NN=Cc1ccc(C(F)(F)F)s1)C(=O)NC1CC1	761785911	LRKMBEWVOWASMG-UHFFFAOYSA-N	305.281	1.496	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(F)c1Cl)c1ncnn1C	875526472	TVTDOOFAWJEBNN-ZETCQYMHSA-N	312.736	1.995	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	877952069	ZFUFFHZTXFXYPR-UHFFFAOYSA-N	302.718	1.863	50	20	DDGD	
Cc1ncc2c(n1)CC[C@H](NC(=O)NN=c1cc[nH]c(C)c1)C2	875050516	KSASCADIJAXLKA-ZDUSSCGKSA-N	312.377	1.094	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(C(=O)N(C)C)ccc1OC	878373681	NIYICIMGLDFGPK-UHFFFAOYSA-N	324.381	1.012	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)COc2ccccc2[N+](=O)[O-])CCO1	773191715	KEHNZTDUVVRDHE-SNVBAGLBSA-N	307.306	1.645	50	20	DDGD	
CCS(=O)(=O)c1c(Cl)cccc1C=NNC(=O)C(F)F	774409127	JXZGQNDDGPFXLY-UHFFFAOYSA-N	324.736	1.849	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1ccccc1OC(F)F	779816135	HGQSVDKVWJTPCE-UHFFFAOYSA-N	315.276	1.484	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc(SC)c(OC)c1	872402848	MCCQUBJYVCRGEM-UHFFFAOYSA-N	312.391	1.530	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1c(Br)cnn1C	870315699	IUTUFMXQEUYKFF-BQYQJAHWSA-N	313.155	1.243	50	20	DDGD	
CCc1nc(-c2ccc(C(=O)NNC(=O)C3CCC3)cc2)n[nH]1	770956583	UWNYBAAOLYEIIF-UHFFFAOYSA-N	313.361	1.595	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@H]1CC1(F)F	873770734	WKJPHGBXKBELLH-SSDOTTSWSA-N	301.318	1.668	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(F)c1Cl)C(=O)N(C)C	875095704	LMVYFNCEADFZTP-ZETCQYMHSA-N	302.737	1.582	50	20	DDGD	
COCCOc1ccc(NC(=O)NN(C)C(=O)OC)cc1F	878438434	CEFLXPKWDQHUSU-UHFFFAOYSA-N	315.301	1.586	50	20	DDGD	
CCC[C@H](CC)C(=O)NNC(=O)CNC(=O)c1cccs1	874270221	MZYOYUKZWRBUJI-JTQLQIEISA-N	311.407	1.452	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)ccc1C#N	1115839236	NZCLUPIJEBKVRT-UHFFFAOYSA-N	324.296	1.065	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@H](C(C)(C)C)C(F)(F)F)cn1	775981080	NAYVLEKNYPLHTR-SECBINFHSA-N	321.303	1.341	50	20	DDGD	
Cn1ccc(NNC(=O)c2csc(Nc3ccccn3)n2)n1	1116852260	KDLLCCVIIJBPIE-UHFFFAOYSA-N	315.362	1.772	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C1CCC[C@@H]1F	872381428	OZBMNVMSCZXHJI-JQWIXIFHSA-N	311.357	1.897	50	20	DDGD	
COCCOCC(=O)NN=Cc1ncc(-c2ccccc2)s1	872400914	XYJVEZDPWJLOMP-UHFFFAOYSA-N	319.386	1.923	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCC2CC2)c(C(F)(F)F)o1	771272239	FNSPIQWZSMHJIK-UHFFFAOYSA-N	305.256	1.961	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cn1ccc2cc(OC)ccc21	887141900	NTUPDBZEOGYQHJ-UHFFFAOYSA-N	313.357	1.601	50	20	DDGD	
CCOc1ccc(CCC(=O)NNC(=O)c2cccnn2)cc1	882060837	WXGMJILQSYLHER-UHFFFAOYSA-N	314.345	1.269	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)[C@@H]1CCCS1(=O)=O	885128353	RRPRILHIKYMCTN-NSHDSACASA-N	302.783	1.669	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2CC[C@H]3C[C@@H](C)CN3C2)n1	1123685273	UGTBZXNDAQNXNU-UPJWGTAASA-N	304.394	1.654	50	20	DDGD	
CC(C)C[C@@H]1CN(C)CCN1C(=O)/C(C#N)=C\c1cnn(C)c1	886600650	YZWJSFDEQBTOBT-MVMZHWFQSA-N	315.421	1.516	50	20	DDGD	
C[C@H](CN1CCOCC1)OC(=O)/C(C#N)=C/c1ccccc1	785366177	NMNHNIUINBZAIK-DSQDWWTGSA-N	300.358	1.857	50	20	DDGD	
O=C(NC[C@@H]1CCN(C2CC2)C1)NNc1ncncc1Cl	780999299	CMYHUZRFBFUOQS-VIFPVBQESA-N	310.789	1.240	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ncncc1Cl)CN1CCCC1	780999260	CAOGHBHVSVQJQP-JTQLQIEISA-N	312.805	1.488	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1cc(F)ccc1F	885143125	VFHBQFYAYAWTLM-UHFFFAOYSA-N	301.293	1.934	50	20	DDGD	
CCc1cncc(C(=O)NNC(=O)COc2ccc(F)cc2)c1	789870479	BTFJGDXWARMONJ-UHFFFAOYSA-N	317.320	1.623	50	20	DDGD	
CC(C)(C#N)CNC(=O)NNC(=O)CSc1ccccc1O	781956330	WQYQLAOGRDIFDC-UHFFFAOYSA-N	322.390	1.364	50	20	DDGD	
CCn1cc(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)cn1	788256519	XDENTHHEYGFVMV-UHFFFAOYSA-N	316.365	1.753	50	20	DDGD	
CO[C@@H](C(C)=NNC(=O)N1CCN(C)CC1)c1ccccc1	782281243	CNXKUXWNPRBYHI-HNNXBMFYSA-N	304.394	1.707	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(OC)ccc2[N+](=O)[O-])nc1	781527731	MOUKKEYVRXFTGQ-UHFFFAOYSA-N	318.289	1.764	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2nccc3sccc23)on1	781428057	YGNDMMCMPAIQIJ-UHFFFAOYSA-N	318.314	1.828	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)Cc1ccc2c[nH]nc2c1	899996490	VUIFENQSJCNGMQ-UHFFFAOYSA-N	305.407	1.399	50	20	DDGD	
CC(=O)c1ccc(NC(=O)C(=O)NN(C)c2ccccc2)cc1	783434809	VMHYZWLSKYJALU-UHFFFAOYSA-N	311.341	1.995	50	20	DDGD	
CC(=O)OCC(C)(C)CC(=O)NNC(=S)NC(C)(C)C	899996392	JYRDCRPLPBATOZ-UHFFFAOYSA-N	303.428	1.260	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc(C(=O)OC)c(C)c1	899337120	BRQOMTOJTCZFSV-UVTDQMKNSA-N	316.357	1.841	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)N[C@@H]1COCC[C@H]1OC	898085659	PCBADVNZPLODPI-ZIAGYGMSSA-N	307.394	1.987	50	20	DDGD	
COC[C@H](C)OC(=O)/C(C#N)=C/c1cccc(C(=O)N(C)C)c1	899339287	PVPXCSWQHPIUPU-DGGAMASNSA-N	316.357	1.873	50	20	DDGD	
COC[C@H](C)NC(=O)NNC(=O)c1cc(C)nc2ccccc12	890158695	KIBMWHKKKSQRHQ-NSHDSACASA-N	316.361	1.522	50	20	DDGD	
CSSCCNC(=O)N[C@@H](C)[C@@H](C)N1CCOCC1	790731321	JSYWUFRRCJGUIF-WDEREUQCSA-N	307.485	1.406	50	20	DDGD	
COc1cc(NNC(=O)C(=O)c2cnn(C)c2)ccc1Cl	790173868	DAPNWQBSRZVHMW-UHFFFAOYSA-N	308.725	1.408	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccc[nH]1)n1ccc2ccccc2c1=O	798153465	SFZJRWSKLIPLQB-LLVKDONJSA-N	324.340	1.352	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2ccc(F)c(C#N)c2)n1	797623643	WWDYSFZQNGHQAX-UHFFFAOYSA-N	313.292	1.867	50	20	DDGD	
C[C@H](C(=O)NNc1ncncc1Cl)N(C)CC(F)(F)F	793890618	LFIURDASZITKTP-ZCFIWIBFSA-N	311.695	1.456	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccccc2C)c(O)n1	798311784	HFNFWKSJIZTIIC-UHFFFAOYSA-N	300.318	1.871	50	20	DDGD	
COc1ccccc1-n1nccc1C=NNC(=O)c1ccc[nH]1	797401012	WYUNBRRRDKDIHR-UHFFFAOYSA-N	309.329	1.973	50	20	DDGD	
Cc1oc(C#N)cc1C(=O)NNC(=O)Cn1ccc2ccccc21	797861926	VXYGWNXUGSSZHT-UHFFFAOYSA-N	322.324	1.876	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)C2CC2)nc1Br	794356639	YHKGGKNEQSQYPB-UHFFFAOYSA-N	313.155	1.715	50	20	DDGD	
COc1ccc(NNC(=O)c2cncc(OC)n2)c([N+](=O)[O-])c1	790789889	LIMVMSTUCLKEPK-UHFFFAOYSA-N	319.277	1.159	50	20	DDGD	
COc1cccc(C=NNC(=O)c2c(C)nc3ccccn23)n1	790143619	PRYRKEARNDLDCO-UHFFFAOYSA-N	309.329	1.810	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=S)NC(C)C)cc2nc1C	1317737683	CQIYDFDXCQBHOA-UHFFFAOYSA-N	317.418	1.764	50	20	DDGD	
CC(=O)c1ccc(CC(=O)NNC(=S)NC(C)(C)C)cc1	1333992660	CPYRLQMMVDCDCE-UHFFFAOYSA-N	307.419	1.726	50	20	DDGD	
C=CCCCNC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1331076605	FLYCGIBHXTVJGH-JOYOIKCWSA-N	303.200	1.359	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41	1339599245	IRKJXZUASVGNPA-VBJLVJOSSA-N	305.447	1.284	50	20	DDGD	
Cc1cccc(CN2CCCC[C@@H]2C(=O)NN(C)[C@@H](C)CO)c1	1336011742	YXAORPZQIYWISH-DOTOQJQBSA-N	319.449	1.693	50	20	DDGD	
CS[C@@H]1CC[C@@H](N(C)[C@H](C)C(=O)NNC(=O)CC(C)C)C1	1334389084	QOBUDRNCMLZENJ-JHJVBQTASA-N	315.483	1.784	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1CCC(=NNC(=O)c2cc[nH]n2)C1	1335347010	JUZWLFQUCURRCX-VIFPVBQESA-N	307.354	1.573	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2ccccn2)c(Cl)n1	1346544455	QOSMBFZKFVXHMG-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cc(=NCc2ccccc2)cc[nH]1	1348830859	PDAWIWWZELIOCC-UHFFFAOYSA-N	324.384	1.677	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1ccc2c(c1)CCO2	1346094557	ZMLMHIRXLQPPTB-RISCZKNCSA-N	318.373	1.127	50	20	DDGD	
C#CCN(C(=O)C(=O)NC[C@]1(C)C[C@H]1Br)C(C)C	1354829978	BNWFGVSYCUNBFQ-MFKMUULPSA-N	315.211	1.146	50	20	DDGD	
N#C[C@@]1(C(=O)NNc2ccc(C(=O)O)cn2)CC2CCC1CC2	1601050713	HITHNWHJPWYSLI-MLHMAEKDSA-N	314.345	1.943	50	20	DDGD	
Cc1nocc1C(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1600815810	BWFPKOHFIMXEGC-UHFFFAOYSA-N	310.335	1.190	50	20	DDGD	
Cc1cc(OCC(=O)NNc2ccc(CC(=O)O)cc2)no1	1600288399	IKYMSFKABDQIAJ-UHFFFAOYSA-N	305.290	1.132	50	20	DDGD	
O=C(NC[C@@H](C(=O)O)[C@H]1CCOC1)c1cccc(CCl)c1	1601457457	UXSQKXACRKMKBT-QWHCGFSZSA-N	311.765	1.893	50	20	DDGD	
COc1cc(CC(=O)NNc2ncccc2C(=O)O)ccc1O	1604700217	CGFXLJGIWOXGSI-UHFFFAOYSA-N	317.301	1.180	50	20	DDGD	
O=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)CCl	1608818110	FEFDQCNQUROSNS-NSHDSACASA-N	316.766	1.279	50	20	DDGD	
O=C(NN=Cc1ccc(-c2nn[nH]n2)cc1)c1ccccc1O	1606849131	BFTKDVGZSJZLRB-UHFFFAOYSA-N	308.301	1.336	50	20	DDGD	
CSSCCNC(=O)c1ccc(-c2nn[nH]n2)c(O)c1	1609371962	HFSCKZCLTHEYCX-UHFFFAOYSA-N	311.392	1.313	50	20	DDGD	
CC(C)[C@](C)(O)C(=O)NNc1ccc(C(=O)O)c(Cl)c1	1609684039	OOFZPQZYHAXQLQ-ZDUSSCGKSA-N	300.742	1.888	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1ccc(C)c(C(=O)O)c1	1606486490	QBBXBEXHFHQFCS-UHFFFAOYSA-N	323.349	1.615	50	20	DDGD	
CO[C@H]1COCC[C@H]1CC(=O)NNc1cccc(C(=O)O)c1	1610241846	YXGXZKGBQLEAAH-GWCFXTLKSA-N	308.334	1.270	50	20	DDGD	
O=C(NN=Cc1cc(F)cc(F)c1)[C@H]1CN2CCC[C@@H]2CO1	1549319725	JCZJLKHJCNBBFH-ZIAGYGMSSA-N	309.316	1.278	50	20	DDGD	
NCCCCCCNC(=O)NNc1cccc(C(=O)O)c1F	1610644345	QIBXRBXIKBWLNJ-UHFFFAOYSA-N	312.345	1.669	50	20	DDGD	
C[C@@H]1C(=NNC(=O)[C@H]2CCCO[C@H]2c2ccnn2C)CCN1C	1549904041	FINQKKKQURGMAO-TYNCELHUSA-N	319.409	1.084	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@@H]1C(=O)NN=Cc1ccccn1	1549310157	TUHSUNWFJXSWJN-KBPBESRZSA-N	313.361	1.433	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1cccs1	1549317596	WWGINMLFLIWXMJ-AAEUAGOBSA-N	307.419	1.842	50	20	DDGD	
Cc1cc(Cl)cc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)c1	1549311712	BHTHSSHRUSCYCR-HUUCEWRRSA-N	321.808	1.962	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@@H]1C=NNC(=O)c1ccnnc1	1552762883	NGHKGQUYJPSMGJ-DGCLKSJQSA-N	314.349	1.186	50	20	DDGD	
CCCNNC(=O)[C@@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1	1577574742	QFIGFJWNPQNVMZ-CQSZACIVSA-N	303.406	1.996	50	20	DDGD	
COc1cccc2c1CC[C@]2(N)C(=O)NN(C)c1ccccn1	1579292109	YJBNQNXNMCQJOJ-QGZVFWFLSA-N	312.373	1.358	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Cc1cccc2c1CCNC2	1575124439	BLDYLVXINHTZLX-UHFFFAOYSA-N	303.406	1.458	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H](N)CCC(C)C)c(C)c1	1579723820	MVWVGHLKSXTXBO-AWEZNQCLSA-N	320.437	1.626	50	20	DDGD	
CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)CCCN	1577006139	RHDCYIRWYIOYBU-GFCCVEGCSA-N	307.394	1.465	50	20	DDGD	
N[C@@H](Cc1ccncc1)C(=O)NNc1ncnc2ccsc12	1580369364	ZHCYCVDMYNJTSM-JTQLQIEISA-N	314.374	1.099	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)C(=O)CC)C2	1841670087	GOGLZAICFFOIOI-NSHDSACASA-N	314.813	1.576	50	20	DDGD	
CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCCO1	1588776613	XDVRHQOWSWVLIA-ZDUSSCGKSA-N	314.349	1.542	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)C(C)(F)F)C1	1842843596	CLNUXXVQZNMWKE-VIFPVBQESA-N	308.756	1.862	50	20	DDGD	
CC(C)(C)[C@H](O)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843361372	CNQZZWZWTAJAQD-ZJUUUORDSA-N	320.792	1.131	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(F)c(C(=O)O)c1F	1599232202	OEMULZIMRBQCED-UHFFFAOYSA-N	303.265	1.278	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(C(=O)O)cc1CC	1596861336	LJBAPYUDAFAUNW-UHFFFAOYSA-N	309.322	1.136	50	20	DDGD	
Cc1cc(=NNC(=O)c2cc(C)c(-c3nn[nH]n3)c(C)c2)cc[nH]1	1592054121	QAWROSSBXQDFON-UHFFFAOYSA-N	323.360	1.366	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)N[C@@H]1C[C@@H]2CCC[C@H]21	1593165124	VFEUGVVPXQTPOX-JMJZKYOTSA-N	314.353	1.076	50	20	DDGD	
C[C@@H](OCc1ccncc1)C(=O)NNc1ccccc1C(=O)O	1593610498	AQZPELIVBZXFFS-LLVKDONJSA-N	315.329	1.828	50	20	DDGD	
O=C(O)[C@@]1(C(=O)NNc2ccc([N+](=O)[O-])cc2)CC=CCC1	1594868065	XYBCZVSAKKXCET-AWEZNQCLSA-N	305.290	1.849	50	20	DDGD	
N#C/C(=C/c1ccc(C(=O)O)cc1[N+](=O)[O-])C(=O)N1CCCC1	1776122575	DDXYOQKJXIUYJO-GHXNOFRVSA-N	315.285	1.822	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1cc(F)c(C(=O)O)c(F)c1	1776116446	ZVKSCXKUFZZNPH-WTKPLQERSA-N	311.240	1.760	50	20	DDGD	
Cc1nsc(C=NNC(=O)Cc2ccccc2F)c1C(=O)O	1776043651	HUSQDTSQNVTSTN-UHFFFAOYSA-N	321.333	1.982	50	20	DDGD	
O=C(O)C1CC(=NNC(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1	1776107339	VNBQIWQRGZIXMF-WLPIGLKUSA-N	302.330	1.731	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@H](O)[C@H](I)C1	158594742	KDSPYCAYQSNGNO-RQJHMYQMSA-N	313.135	1.402	50	20	DDGD	
Cc1ccc(C(=O)NNC(=S)NC(C)(C)C)cc1[N+](=O)[O-]	14895089	RAYSSBFTRBULBN-UHFFFAOYSA-N	310.379	1.811	50	20	DDGD	
O=C(CCc1ccc(F)cc1F)NNC(=O)Cc1ccncc1	160238756	AXZJZECFULKRGX-UHFFFAOYSA-N	319.311	1.683	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(-c2cccs2)n[nH]1	153600148	VQNDHJWFNYTQPD-LLVKDONJSA-N	320.374	1.468	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2c[nH]nc2C)ccc1[N+](=O)[O-]	153676573	LHDHXHCRDQPYPF-UHFFFAOYSA-N	318.293	1.401	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@@H](c1ccccc1)C1CC1	157123777	JPLLXCPHMMSYQW-KRWDZBQOSA-N	309.369	1.965	50	20	DDGD	
COCCCCCNC(=O)NNC(=O)CCc1ccccc1	155721845	HCOVHWCMYKUTIB-UHFFFAOYSA-N	307.394	1.766	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCOC3(CCC3)C2)c1	154109308	JLVWPELVXQJAJE-UHFFFAOYSA-N	317.389	1.011	50	20	DDGD	
C[S@](=O)c1ccc(CNS(=O)(=O)CCCCCl)cc1	154589465	MMDJTEBBKNUBPB-GOSISDBHSA-N	323.867	1.862	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC2CC=CC2)cc1C	154943812	UTMCCNAPPRGUOM-UHFFFAOYSA-N	303.362	1.731	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCCN(c2nc(C)ns2)CC1	159733982	WOBJDDDAOZYMLE-BENRWUELSA-N	321.406	1.329	50	20	DDGD	
COc1ccc(NNC(=O)C[C@@H](C)NC(=O)C2CCCC2)nc1	159391474	UGHQCUJOVMAFJH-LLVKDONJSA-N	320.393	1.618	50	20	DDGD	
CC(C)[C@@](C)(NS(=O)(=O)c1ccc(CCl)cc1)C(N)=O	380361011	NNOCRQZWSBBODD-CYBMUJFWSA-N	318.826	1.604	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)COc2cccc(C)c2)c1	6333164	SRJPNLBSAPBAQT-UHFFFAOYSA-N	314.341	1.844	50	20	DDGD	
CCc1c(C(=O)NNc2nccc(OC)n2)[nH]c(C)c1C(C)=O	52582664	WZSLGXWKSDMEIK-UHFFFAOYSA-N	317.349	1.644	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cc2c([nH]c1=O)CCCC2	109627435	YEEMOWPKTYSNJL-UHFFFAOYSA-N	305.378	1.451	50	20	DDGD	
Cc1ccccc1CCNC(=O)NNC(=O)Cc1ccncc1	177062815	QIALYSMZIWSBHJ-UHFFFAOYSA-N	312.373	1.506	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)CC(C)(C)C)c1-n1cccc1	176151115	TUNWSAQUNBTHDJ-UHFFFAOYSA-N	303.366	1.408	50	20	DDGD	
Cc1cc(C)cc([C@H](C)NC(=O)NNC(=O)[C@@H]2CCCO2)c1	107394106	VRWCFUICYFZDML-JSGCOSHPSA-N	305.378	1.874	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)C[C@H](c1ccccc1)C(C)C	103064680	DOJWBZHQHWYJJP-AWEZNQCLSA-N	319.405	1.488	50	20	DDGD	
N#Cc1ccc(NNC(=O)CCCCN2CCOCC2)cc1	178943284	YWPAPDBXYUWOOD-UHFFFAOYSA-N	302.378	1.504	50	20	DDGD	
CN(C)CC[C@@H](NC(=O)NNC(=O)c1ccccc1)C(C)(C)C	116415795	BMWXEFGHICDBIF-CQSZACIVSA-N	320.437	1.997	50	20	DDGD	
O=C(CCN1C(=O)CCC1=O)NNc1ccc(Cl)c(F)c1	175418345	CJNLPMCXPVSKLQ-UHFFFAOYSA-N	313.716	1.461	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H](C(=O)NNc1cc(C)ncn1)C2	172275785	ATYGYIAUSWBXGG-LBPRGKRZSA-N	314.345	1.488	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CC[C@@H]2CCOC2)cc1	177615222	IOJUHJULYJVDIR-CYBMUJFWSA-N	306.362	1.338	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNC(=O)c1cc2c(s1)CCC2	21782047	ALUADQVHVDIDLR-UHFFFAOYSA-N	323.418	1.160	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNC(=O)Cc2ccccc2F)c1	66839742	BVILHVKOJUONKJ-UHFFFAOYSA-N	303.293	1.360	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C(C)(C)C)C(=O)Nc1ccccc1	112112156	NZPBZSPGEJLGJD-JTQLQIEISA-N	306.366	1.390	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2nc3c(s2)CCCC3)[nH]n1	178584132	YJSUDILRQLLWSS-UHFFFAOYSA-N	320.378	1.520	50	20	DDGD	
Cc1csc(=O)n1CCC(=O)NNc1ccccc1[N+](=O)[O-]	61470640	YOGQBJOZUAVCJZ-UHFFFAOYSA-N	322.346	1.660	50	20	DDGD	
Cc1ccccc1CN(C)CC(=O)NNC(=O)c1cccs1	66864829	PLSIJUPSJNZXFJ-UHFFFAOYSA-N	317.414	1.950	50	20	DDGD	
CC(C)C(=O)NCCNC(=O)NNc1ncnc2ccsc12	178481969	HRUNALBZBTULFR-UHFFFAOYSA-N	322.394	1.090	50	20	DDGD	
COC(=O)CC(=O)NNC(=O)c1ccc(OCCC(C)C)cc1	20114410	ACUAIVKFYFWNJB-UHFFFAOYSA-N	322.361	1.436	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)OC[C@H]2CCCCO2)nc(C)n1	128924240	HWSRYPWZQQBMTE-DGCLKSJQSA-N	308.382	1.511	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)CC(F)(F)F)c1	120094381	IAXNIIITCBRSRU-UHFFFAOYSA-N	304.268	1.782	50	20	DDGD	
CC(C)C[C@H]1COCCN1C(=O)NNC(=O)c1ccccc1	73035777	NHLFQHSHTROLMX-AWEZNQCLSA-N	305.378	1.788	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ccccc2)c(C)n1	181274017	FBBWHWXMHZBTLM-UHFFFAOYSA-N	300.318	1.480	50	20	DDGD	
COc1ccc(C(F)(F)C(=O)NNc2ncc(F)cn2)cc1	123301359	AKVMRSIFKJBCQT-UHFFFAOYSA-N	312.251	1.859	50	20	DDGD	
CCOCCC1(C(=O)NNC(=O)c2cccn2C)CCCC1	124279507	QUSNNDWZKPKYBU-UHFFFAOYSA-N	307.394	1.773	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc2ccccc2[nH]c1=O	184362387	RARCALGFWDCRTQ-UHFFFAOYSA-N	311.301	1.084	50	20	DDGD	
Cn1c(NNC(=O)CCc2cccnc2)nc2ccccc2c1=O	70920025	BASIZPHPCPSXHW-UHFFFAOYSA-N	323.356	1.404	50	20	DDGD	
COc1cccc(NNC(=O)C[C@H]2C(=O)Nc3ccccc32)n1	180675710	YXKJGKXKEGWILK-LLVKDONJSA-N	312.329	1.659	50	20	DDGD	
CCC(CC)C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12	32199167	IRJDZKUVXTWBQP-UHFFFAOYSA-N	302.334	1.120	50	20	DDGD	
COc1ccc2c(CC(=O)NNC(=O)[C@@H]3CCCO3)coc2c1	32257703	YNRUYEBWQCUFNX-ZDUSSCGKSA-N	318.329	1.310	50	20	DDGD	
CN(C)[C@H](CNS(=O)(=O)CBr)c1ccco1	126636009	OJSUJHFYSOPMFK-MRVPVSSYSA-N	311.201	1.154	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2cc(Cl)ccn2)CN1C1CC1	181443555	HWKGIDHDKSHQHL-ONGXEEELSA-N	309.801	1.986	50	20	DDGD	
CCn1c(NNC(=O)COC(C)(C)C)nc2ccccc2c1=O	181219067	SEGHAJMQOYAWIX-UHFFFAOYSA-N	318.377	1.675	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCCC(=O)N1CCOCC1	185110182	OWQNTQQQHHFLLC-UHFFFAOYSA-N	324.356	1.009	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(C#N)c(Cl)c1)N1CCN(C)CC1	182409150	JNCWVKUOVBRECB-LLVKDONJSA-N	321.812	1.291	50	20	DDGD	
CNS(=O)(=O)c1ccc(C(=O)NNc2cccc(C)c2)cn1	184462257	QYCQPPFBDXMYPZ-UHFFFAOYSA-N	320.374	1.055	50	20	DDGD	
CC(C)C[C@@H](C)OCCC(=O)NNC(=O)NCC(F)(F)F	88255049	NXYWXBHGQLKPFU-SECBINFHSA-N	313.320	1.720	50	20	DDGD	
CC[C@H](CC(=O)NNC(=O)C(C)(C)O)c1ccc(OC)cc1	192924184	UQDCLKCYSIKZHA-LLVKDONJSA-N	308.378	1.497	50	20	DDGD	
CC(C)=CCOc1cccc(C(=O)NNC(=O)C(C)(C)O)c1	190067692	VKIAJQQTOSDZOM-UHFFFAOYSA-N	306.362	1.564	50	20	DDGD	
Cc1cccc(NNC(=O)CN2C(=O)c3ccccc3C2=O)c1	192835885	OTEARPJJNCUTOF-UHFFFAOYSA-N	309.325	1.734	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Cc2ccc([N+](=O)[O-])cc2)n1	193261140	PBZHXEDBRGZVNV-UHFFFAOYSA-N	301.306	1.687	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)C[C@H]1CCCOC1	192551455	FTMRADVSUVAASZ-GFCCVEGCSA-N	306.362	1.289	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1F)c1csnn1	82991576	WMVJHTKQDVKVCI-UHFFFAOYSA-N	300.702	1.405	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1cn2cc(Cl)ccc2n1	195323055	VGLMZACSBLVRKX-WZUFQYTHSA-N	310.766	1.744	50	20	DDGD	
N#Cc1ccc(CC(=O)NNC(=O)c2ccc(Cl)nc2)cc1	194863040	UKGPWOADXDPWRO-UHFFFAOYSA-N	314.732	1.610	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]23)s1	246362147	KLDDLWDBDMIATB-QJPTWQEYSA-N	323.418	1.958	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=Cc1ccc([N+](=O)[O-])cc1	254596737	XKUAVWXUBOSFQZ-UHFFFAOYSA-N	324.296	1.996	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)CCCC(C)(C)C)nc21	269326266	VPSROJMKFRVJOB-UHFFFAOYSA-N	306.370	1.728	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC([C@@H](C)N)CC1	269143330	CPDADYDYQYFSLG-SNVBAGLBSA-N	312.845	1.938	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2COc3ccccc3O2)n1	266939969	PLOQTMKSGYXFEF-GFCCVEGCSA-N	316.317	1.077	50	20	DDGD	
CC1(C)[C@H]2OCCC[C@H]2[C@H]1NC(=O)NNC(=O)c1ccccc1	365672061	PBJQKMNGHWODAK-MJBXVCDLSA-N	317.389	1.834	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C(C)(C)O)ccc1OC(C)C	276247483	LSVXFCSZEKMHGO-UHFFFAOYSA-N	310.350	1.014	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)/C=C/c1ccc(F)cc1	275413464	BHPUDWLJHAWLSR-CMDGGOBGSA-N	301.343	1.292	50	20	DDGD	
C[C@H]1C[C@@H](N2CCOCC2)CN1CCI	368508453	SEFUMLDFWKPPJF-WDEREUQCSA-N	324.206	1.216	50	20	DDGD	
Cn1cc2c(n1)CCC[C@H]2C(=O)NNc1ccccc1[N+](=O)[O-]	366972571	GOJPOTHBWCQHKC-SNVBAGLBSA-N	315.333	1.892	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	271347462	KREKRUCIEKWFHH-UHFFFAOYSA-N	321.337	1.475	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)CSc2ccccc2O)CCO1	271917889	BLXZWQFQVDDUQR-WDEREUQCSA-N	324.402	1.447	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2CCO[C@H](C(C)C)C2)n1	272575356	QEBUWUIYEYOCPX-NEPJUHHUSA-N	308.382	1.920	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNC(=O)NC1CC(F)(F)C1	277016346	ADAMAVJBSDHGSJ-UHFFFAOYSA-N	324.287	1.065	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNc1ccc(C(F)(F)F)cc1	270892606	QKTGMMDWDWSLCF-ZETCQYMHSA-N	305.256	1.893	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C1=Cc2cc(OC)ccc2OC1	272704404	VMSVDJDEPZWAMR-UHFFFAOYSA-N	305.334	1.164	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCc1cc(C(N)=O)no1	274396948	PKVUOZAFIAYZBU-QMMMGPOBSA-N	318.171	1.199	50	20	DDGD	
NC(=O)[C@H]1CC[C@@H](C(=O)NNc2cc(Cl)cc(Cl)c2)O1	281445525	CFHZCXMDFAWIGA-ZJUUUORDSA-N	318.160	1.469	50	20	DDGD	
CCCC[C@@H](C)C(=O)NNc1nccc(N2CCOCC2)n1	282327146	WMUJNTHAOSYVQU-GFCCVEGCSA-N	307.398	1.583	50	20	DDGD	
COc1cccc(F)c1C(=O)NNC(=O)NCC(F)(F)F	281321742	STOJWHDARVBKQP-UHFFFAOYSA-N	309.219	1.341	50	20	DDGD	
O=C(NC[C@H]1COC2(CCCCC2)O1)NNc1ncccc1F	286660802	GIJSPEOIJDVQDC-NSHDSACASA-N	324.356	1.923	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)Cn1ccc([N+](=O)[O-])n1	281878002	XAHAXCWKUQWSHL-UHFFFAOYSA-N	303.322	1.805	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H]1C(=O)NNc1cnc2ccccc2n1	285992663	GNSVTFCLVFKPIJ-UWVGGRQHSA-N	300.318	1.272	50	20	DDGD	
CC[C@@H](COCC(F)(F)F)NC(=O)NNc1ncccn1	297541816	IXPVYGXHUHWPRL-QMMMGPOBSA-N	307.276	1.460	50	20	DDGD	
COCCCn1nccc1C=NNC(=O)c1cccc(C#N)c1	802710960	FUQISSUCXQWLEK-UHFFFAOYSA-N	311.345	1.555	50	20	DDGD	
O=C(NNc1ncncc1F)c1cccnc1N1CCCC1	294082212	QUKQGTNDAIQRBN-UHFFFAOYSA-N	302.313	1.368	50	20	DDGD	
O=C(CN1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1)NNC(=O)c1ccccc1	292962486	JNTFQVSAFVILPU-CAOSSQGBSA-N	313.401	1.426	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@H](C)N(C)[C@H](C)C1	294004756	PEAZOIYSZDKBRH-PHIMTYICSA-N	312.845	1.903	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NNc2ncncc2F)C1	293916891	GSGJFLYBWSVSID-WDEREUQCSA-N	323.372	1.344	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)CCCOc2cccc(F)c2)O1	294144793	HEFCIEJJTWOTQZ-FZMZJTMJSA-N	324.352	1.700	50	20	DDGD	
CCOC(=O)CCCNC(=O)NNc1cccc(Cl)n1	292472999	PYUKRFOHWYWYJY-UHFFFAOYSA-N	300.746	1.704	50	20	DDGD	
COCCN(C)NC(=O)c1cc(C)ccc1Br	294309444	HXIGOGLDIIUPQT-UHFFFAOYSA-N	301.184	1.981	50	20	DDGD	
COc1ccccc1[C@@H](C)CC(=O)NNC(=O)[C@@H]1CCCCO1	295571069	NPRLAKHVSVFEPP-WFASDCNBSA-N	320.389	1.905	50	20	DDGD	
CC(C)C(=O)NNC(=O)C1(c2cccc(Cl)c2)CC(=O)C1	809983035	XQTFZIJEBMXWEB-UHFFFAOYSA-N	308.765	1.744	50	20	DDGD	
COCCCn1nccc1C=NNC(=O)Cc1csc(C)n1	802706570	SBZLTYHZMMNYQY-UHFFFAOYSA-N	321.406	1.377	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccnc(-c2ncc[nH]2)c1	814251366	HHDZTZMYVMQXES-UHFFFAOYSA-N	321.340	1.855	50	20	DDGD	
C[C@@H]1C(=NNC(=O)CN2CCCC2=O)CC[C@H](C(=O)O)C1(C)C	814761276	SQGWJAJSBLJQDQ-GHMZBOCLSA-N	323.393	1.238	50	20	DDGD	
COCCn1c(C)cc(C=NNC(=O)N=c2cc[nH]cc2)c1C	815003699	GPZLHYNOXIBZSG-UHFFFAOYSA-N	315.377	1.724	50	20	DDGD	
O=C(Cc1ncc[nH]1)NNC(=O)C12CC3CC(CC(C3)C1)C2	816815787	CZFXSLRMSRHDOH-UHFFFAOYSA-N	302.378	1.316	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)cc1F)NCC(Cl)Cl	816604554	NZMWGVQIDUOKAA-UHFFFAOYSA-N	311.115	1.615	50	20	DDGD	
CNC(=O)C1(C(=O)NN=c2sc3ccccc3n2C)CCC1	729965635	JTICGDXAVGFBHY-UHFFFAOYSA-N	318.402	1.088	50	20	DDGD	
NC(=O)N[C@@H]1CCN(Cc2ccc(OCCCCl)cc2)C1	811468298	KSTNJZQMBNAXTC-CYBMUJFWSA-N	311.813	1.937	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)NNc1cc(Cl)nc(Cl)c1	819743988	YZYUMVJAOMEJDV-UHFFFAOYSA-N	305.165	1.746	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1cccc(N(C)C)c1	826035806	JFBDQUONRFUWGD-RISCZKNCSA-N	320.393	1.008	50	20	DDGD	
Cc1c(NC(=O)NN(C)C2CC2)c(=O)n(-c2ccccc2)n1C	823967370	RUKHJRXNNDJXJB-UHFFFAOYSA-N	315.377	1.615	50	20	DDGD	
O=C(CCN1CCCC1=O)NNC(=O)c1cc2c(s1)CCC2	727722722	NOTQTVSWGSZALG-UHFFFAOYSA-N	321.402	1.010	50	20	DDGD	
CCn1ncc(C(=O)NN(C)[C@H](C)CO)c1-c1ccccc1	823927939	JDULRSSPHZUDLJ-GFCCVEGCSA-N	302.378	1.527	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(Br)ccc1O	495693310	NMBMVOGNLIDGLM-UHFFFAOYSA-N	303.112	1.498	50	20	DDGD	
CCO[C@H](CCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)C(C)C	826120821	CXYLTMZJMCVXHS-FRRDWIJNSA-N	315.414	1.193	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N(C)CCc1cccs1	827288697	NOIXMASBZNHPNG-ZYHUDNBSSA-N	311.407	1.388	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C	492943068	FQHNFLSYNGTJJD-JTQLQIEISA-N	301.387	1.293	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)cc1	824037555	SSTVEQHZNZUPKY-KCQAQPDRSA-N	301.390	1.991	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1c(F)ccc2ccncc12	824621083	IAFSNMJATVKEPO-UHFFFAOYSA-N	318.308	1.061	50	20	DDGD	
Cc1cc(C(=O)NN(C)[C@@H](C)CO)c(C)n1CC(F)(F)F	823982794	DKBNHJVUPHCOAV-VIFPVBQESA-N	307.316	1.625	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(F)c(F)cc1Br	823946606	LGTYUJWVNJWPPA-ZCFIWIBFSA-N	323.137	1.685	50	20	DDGD	
CCC[C@H](O)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	829003723	YEINKLMMSLHSBJ-LBPRGKRZSA-N	310.423	1.231	50	20	DDGD	
Cc1nnc([C@@H](C)NC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)o1	490725791	KWBSWTHTSZANOU-ACJFOYDFSA-N	324.344	1.681	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C	496463665	YVANGQQUSVJQHV-NEPJUHHUSA-N	315.414	1.289	50	20	DDGD	
Cn1cc([C@H](O)CNC(=O)/C(C#N)=C\c2ccc(F)cc2)cn1	490840814	HETICABYJIYCPC-NYXMJBRJSA-N	314.320	1.316	50	20	DDGD	
O=C(/C=C\c1ccsc1)NNC(=O)COc1ccccc1O	491561375	JYAJXIKWXSHTNG-WAYWQWQTSA-N	318.354	1.693	50	20	DDGD	
Cc1nc(C(C)(C)NC(=O)c2ccc(B(O)O)cc2)sc1C	584950533	QTXLCAJVVJNBPD-UHFFFAOYSA-N	318.207	1.105	50	20	DDGD	
COC(=O)NNC(=O)C1(CNC(=O)OC(C)(C)C)CCCC1	495325763	AMSLOFFDEXLWJP-UHFFFAOYSA-N	315.370	1.459	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1c[nH]nc1C(C)(C)C	494436436	YMSXWURDCSMOSE-UHFFFAOYSA-N	323.397	1.682	50	20	DDGD	
CON=Cc1ccc(C(=O)NNc2nc3ccccn3n2)cc1	588584893	NHXLTPJBGWOQAU-UHFFFAOYSA-N	310.317	1.467	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2CCN2C2CCCC2)n1	820502843	SYCKNVHSQCJZEB-LBPRGKRZSA-N	305.382	1.254	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)c(O)n1	824446703	QHCAHCRVGGXWNO-VIFPVBQESA-N	322.434	1.818	50	20	DDGD	
CC1(C)OC[C@@H](CNC(=O)/C(C#N)=C\c2ccc(O)cc2)O1	491157901	BGFCZPAMXBRZRZ-YRBHFNIASA-N	302.330	1.567	50	20	DDGD	
Cc1cc(-n2c(C)cc(C(=O)NN(C)[C@@H](C)CO)c2C)no1	823982820	FAFLGFSUTKYLDI-JTQLQIEISA-N	306.366	1.348	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1ccc(OCCN(C)C)cc1	735412287	VCEZQIQFSHXADN-UHFFFAOYSA-N	315.377	1.422	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1cc(C(=O)O)cc(C(=O)OC)c1	737128776	ABKKQCBWIRTEMR-DHZHZOJOSA-N	318.285	1.554	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@]2(Cl)C[C@H]3CC[C@H]2O3)c1	907264891	NEULVJJMSLWMGV-LALPHHSUSA-N	324.764	1.845	50	20	DDGD	
CCC(COC)=NNC(=O)C1CCN(c2ncccn2)CC1	735971715	STJZEZDWVWUYRA-UHFFFAOYSA-N	305.382	1.222	50	20	DDGD	
Cc1nn(C(C)(C)C)cc1[C@H](C)NCc1ccc(B(O)O)o1	585036815	PVQYANYVTQQBOU-JTQLQIEISA-N	305.187	1.070	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@]2(C)C[C@H]2Br)C[C@@]2(CCOC2)O1	907918216	MDEQPIWNYGYIOB-FPQZTECRSA-N	318.211	1.566	50	20	DDGD	
O=C(COc1ccc(F)cc1)NN[C@@H](C(=O)O)c1ccccc1	833115612	WFHPGELFJIWRLJ-OAHLLOKOSA-N	318.304	1.651	50	20	DDGD	
CCO[C@H](CC)C(=O)NNC(=O)COc1ccccc1CC	839459094	GNPIVPOECADFGM-CYBMUJFWSA-N	308.378	1.590	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CCn3cncc3C2)cc(C#N)n1C	491005917	CNZQATLXRRTQQY-RZNTYIFUSA-N	320.356	1.351	50	20	DDGD	
COc1ccc(CNC(=O)/C(C#N)=C/c2c(C)cnn2C)cc1	490942909	PRQFGKNXCDXAGR-RIYZIHGNSA-N	310.357	1.961	50	20	DDGD	
CCCCNC(=O)[C@H]1CC[C@H](C)N(S(=O)(=O)CCl)C1	830161101	MNLFSOGROUAJHN-QWRGUYRKSA-N	310.847	1.529	50	20	DDGD	
COCc1ccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	836564825	KDAOXRFXTANNIK-ZDUSSCGKSA-N	307.350	1.555	50	20	DDGD	
CCO[C@H]1CCCC(=NNC(=O)CNC(=O)OC(C)(C)C)C1	905462052	ZBHGQNXONRRPHB-LBPRGKRZSA-N	313.398	1.962	50	20	DDGD	
C[C@@H](COCC(F)(F)F)NC(=O)NNc1ccc(F)cn1	731361638	RDWCEQCBPVQEGR-ZETCQYMHSA-N	310.251	1.814	50	20	DDGD	
C=CCOc1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)cc1	833256162	LGNFUKVFOPGZRD-AWEZNQCLSA-N	304.346	1.582	50	20	DDGD	
COc1ccc(C=NNC(=O)c2ccccc2)cc1-c1nn[nH]n1	737082102	UOVOHZUFJGQIHV-UHFFFAOYSA-N	322.328	1.639	50	20	DDGD	
CCN(Cc1occc1C)C(=O)c1cc(B(O)O)ccc1F	585002456	WBJRDWHJDWYMMY-UHFFFAOYSA-N	305.114	1.069	50	20	DDGD	
N#CC(C#N)=CNc1cc(-c2nn[nH]n2)ccc1OC(F)F	737670529	CLFYMHYFABJDOU-UHFFFAOYSA-N	303.232	1.811	50	20	DDGD	
CC(C)(C)OC(=O)C1CN(C(=O)[C@]2(C)C[C@H]2Br)C1	908677987	MKHBXRSAALFOEH-NOZJJQNGSA-N	318.211	1.960	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNc1nc(-c2cccnc2)no1	839644272	PBBSZENXYFPZDG-JTQLQIEISA-N	319.321	1.164	50	20	DDGD	
OB(O)c1ccc(CNCC2(c3ccc(F)cc3)CCCC2)o1	585016062	QSMICNAHXWFVNQ-UHFFFAOYSA-N	317.169	1.700	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2C[C@@]23CCOC3)c1F	837061607	OBWAMDGWAREETM-ZUZCIYMTSA-N	308.309	1.482	50	20	DDGD	
C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(B(O)O)c(F)c1	584953163	YSFOVDIEKLLYPH-ZETOZRRWSA-N	305.158	1.299	50	20	DDGD	
CN(NC(=O)[C@@]1(O)CCc2ccccc2C1)C(=O)OC(C)(C)C	838373601	RPLDJVZJHIMPDY-QGZVFWFLSA-N	320.389	1.805	50	20	DDGD	
CCOCCN1CCN(C(=O)[C@]2(C)C[C@@H]2Br)CC1	906641924	YTKQXISIOGAJFI-WCQYABFASA-N	319.243	1.341	50	20	DDGD	
CC(C)(C)C#CC(=O)NNC(=O)[C@H]1COc2ccccc2O1	837310785	IMEXZWBALPTTET-CYBMUJFWSA-N	302.330	1.023	50	20	DDGD	
CC(C)N(C[C@H](O)COc1ccccc1)S(=O)(=O)CCl	831299549	PQLHCHHFLGQJMP-LBPRGKRZSA-N	321.826	1.663	50	20	DDGD	
CCNC(=O)CCC(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	836823289	RPSUUHNJVFNKGV-UHFFFAOYSA-N	314.729	1.608	50	20	DDGD	
CCNC(=O)N(C)N=Cc1cnn(-c2ccc(OC)cc2)c1	834967875	YBKDMGCDRRZOGP-UHFFFAOYSA-N	301.350	1.876	50	20	DDGD	
CC1(C)C[C@@H]1CNC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836299313	OTNACIUEUSONAJ-SECBINFHSA-N	320.349	1.797	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNc1cccc(C(=O)OC)c1F	837060869	GGYRYULJPPUGEW-ZJUUUORDSA-N	312.341	1.974	50	20	DDGD	
O=C(NN=C1CCOC[C@H]1CN1CCCCC1)[C@H]1CCCCO1	834986866	RSMBWZVNVBMGRR-GDBMZVCRSA-N	323.437	1.550	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]32)o1	585049667	TYRPEBPMXHIGET-AEGPPILISA-N	303.554	1.041	50	20	DDGD	
C[C@@H]1C[C@@H]1c1ccc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)o1	732769052	AEFNUNBYDHSHCI-FOGDFJRCSA-N	310.375	1.288	50	20	DDGD	
CCc1nc(C)c(C(C)=NNC(=O)CN2CCCC2=O)s1	735226849	COIXETURGCXKBX-UHFFFAOYSA-N	308.407	1.477	50	20	DDGD	
CO[C@](C)(CNC(=O)NNc1cccnn1)c1ccccc1	836591022	UFSWWXXIIJPFSC-OAHLLOKOSA-N	301.350	1.665	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](C)CCCc1cccnc1	838748528	GDVPLWMNUYMLAY-GFCCVEGCSA-N	308.382	1.160	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1	910160954	QSFGYGSLZWQNAW-ZETCQYMHSA-N	321.255	1.571	50	20	DDGD	
C[C@H](Oc1cccc(C=NNC(=O)[C@H]2CCCCO2)c1)C(=O)O	834988531	JPYDRYQVYKYIJJ-SMDDNHRTSA-N	320.345	1.558	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)C)cc(C)c1OCC(=O)O	832864535	MLZBUXDCKNAFRT-UHFFFAOYSA-N	322.361	1.574	50	20	DDGD	
CC1CCC(CNC(=O)NNC(=O)N=c2cc[nH]cc2)CC1	837827825	OMLBOOFXLDFRNG-UHFFFAOYSA-N	305.382	1.666	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(F)cc([N+](=O)[O-])c1	833250552	IUVWCDSDOXJGIY-LLVKDONJSA-N	311.269	1.064	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)CCc2ccc(OC)cc2)n1	834944495	OLLDIUDEYVPHKW-UHFFFAOYSA-N	315.377	1.698	50	20	DDGD	
Cc1ccccc1C1CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)C1	743438599	PMEHNGDSPYTGKV-JHJMLUEUSA-N	323.418	1.282	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)[C@@H]1CCN(C)C(=O)C1	912587344	KELGFFPNYDTNQD-LLVKDONJSA-N	306.318	1.985	50	20	DDGD	
CCn1ccnc1C(=O)NNc1ccc(CC(=O)OC)cc1	846376316	WPWZQDQEMHGBHD-UHFFFAOYSA-N	302.334	1.375	50	20	DDGD	
O=C(/C=C/C1CCOCC1)NNc1cc(O)nc2ncccc12	913992757	HSAQMFFTLJKSNE-ONEGZZNKSA-N	314.345	1.761	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@@H]1CCc2ccccc2C1	846633280	ZCZZFDIXAPYESE-LLVKDONJSA-N	300.280	1.891	50	20	DDGD	
O=C1[C@H](NS(=O)(=O)CCCCCl)C[C@@H]2CCCCN12	841532625	VIYCQZBLUGHJCS-WDEREUQCSA-N	308.831	1.078	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2ccccc2c1O	843643606	CSLOBFJSFDZFBE-JQWIXIFHSA-N	314.341	1.731	50	20	DDGD	
CS(=O)(=O)c1ccc(C=NNC(=O)c2ccc(O)cc2)cc1	918153363	CKPWZAVXICCPFW-UHFFFAOYSA-N	318.354	1.560	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](C)COCC1CC1	845577684	QIBSOSSDXWIJRV-GFCCVEGCSA-N	305.378	1.754	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@](C)(O)c1cccc(C(F)(F)F)c1	910165421	INJBCAADWQLZSQ-RNCFNFMXSA-N	320.311	1.257	50	20	DDGD	
CNC(=O)c1ccc(C(=O)NNc2ccc(OC)cc2)cn1	746883225	MHXPGGVOSGTJFL-UHFFFAOYSA-N	300.318	1.207	50	20	DDGD	
COc1ccc2cc(C(=O)NNc3ncnc4[nH]cnc34)[nH]c2c1	740746657	AKLJMWGDIGSRAC-UHFFFAOYSA-N	323.316	1.600	50	20	DDGD	
Cc1c(NNC(=O)[C@H]2CCN(C)C(=O)C2)cccc1[N+](=O)[O-]	748670677	MVWLEXPXUCPLSA-JTQLQIEISA-N	306.322	1.215	50	20	DDGD	
C[C@H]1CCC[C@@H](OCC(=O)NNc2ncnc3[nH]cnc23)C1	743471760	UZTFIUUJCRISAL-VHSXEESVSA-N	304.354	1.391	50	20	DDGD	
C[C@@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)CC(F)(F)F	918704212	WCXHDEFRGIRONG-MRVPVSSYSA-N	323.315	1.171	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1cccc([N+](=O)[O-])c1	916363851	ZSRDXBWJIWZRMH-GFCCVEGCSA-N	320.349	1.013	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)C2SCCCS2)cc1	841385483	CGRUQUADESCRLV-UHFFFAOYSA-N	307.400	1.515	50	20	DDGD	
COc1cccc(NCC(=O)NN=C2CCN(C)[C@@H](C)C2)c1	741454927	ICRHPQUOWUBZMA-LBPRGKRZSA-N	304.394	1.693	50	20	DDGD	
CSCCCCCCNC(=S)NNC(=O)c1cc[nH]n1	849276369	ISRHFOWZJDBYET-UHFFFAOYSA-N	315.468	1.442	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)C1CCC2(CC1)NC(=O)NC2=O	848081212	NDIBQHQYNAZJDQ-UHFFFAOYSA-N	322.192	1.017	50	20	DDGD	
Cc1nc(O)[nH]c1C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	847287802	KKBNVGUOFFESIG-UHFFFAOYSA-N	316.361	1.796	50	20	DDGD	
CC1(C)CC[C@@H]1NCC(=O)NNC(=O)c1cccc(Cl)c1	846955808	HDRLVUNUSKYAHN-LBPRGKRZSA-N	309.797	1.879	50	20	DDGD	
C[C@@H](C(=O)NNc1cnc2ccccc2n1)[C@@H](C)S(C)(=O)=O	841425578	RANDJNZEGNRQCQ-NXEZZACHSA-N	322.390	1.142	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@]1(C)CCc2ccccc2C1	843652592	KCCKMJZVJRZSLH-XLWVJDPXSA-N	316.401	1.754	50	20	DDGD	
CS(=O)(=O)c1ccc(NC(=O)NN=C[C@@H]2CCOC2)cc1	741770121	FECJKAKLZQQWEQ-JTQLQIEISA-N	311.363	1.234	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cc(Br)nn1C	842559318	IXXPVPSYADHEKR-IONNQARKSA-N	315.171	1.058	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NN=C[C@@]1(OC)CCOC1	841616537	PGRGXQLGUBKANZ-AWEZNQCLSA-N	312.753	1.870	50	20	DDGD	
Cc1ccc(NC(=O)NN=C2CCS(=O)(=O)C2)c(Cl)c1	741766574	MYAGMKZUFJWTNO-UHFFFAOYSA-N	315.782	1.944	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)c1ccc[nH]1)C(=O)OC(C)(C)C	843757449	UDYMNFPMZJFSPW-NSHDSACASA-N	309.366	1.390	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCC[C@@H]1CCCN1	842002610	GLBCMQGINDHZIR-LBPRGKRZSA-N	320.393	1.171	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1ccccc1)NC(=O)OC(C)(C)C	742466253	UVAPQTLHCMOFPU-NSHDSACASA-N	321.377	1.751	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ncsc1C(F)(F)F	843656016	LSANLVYSSYAPRV-PHDIDXHHSA-N	323.296	1.348	50	20	DDGD	
C[C@@](O)(CC(=O)NNC(=O)Cn1ccc2ccccc21)C1CC1	755866864	IZJVQOMWJIIAJN-QGZVFWFLSA-N	315.373	1.340	50	20	DDGD	
Cc1nn(C)c(C)c1[C@H](C)C(=O)NNc1ncccc1[N+](=O)[O-]	759285539	MGMZKXIUSBOVLN-QMMMGPOBSA-N	318.337	1.587	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1	921205277	DYFKWYRMTMRGNB-UHFFFAOYSA-N	313.379	1.001	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccnc(Cl)c1F)C1CC1	855098302	FSYXMJYGOSHPHJ-ZCFIWIBFSA-N	316.789	1.782	50	20	DDGD	
CNc1nnc(CC(=O)NNc2cc(Cl)nc(C)n2)s1	857541118	JCOWXUGPFHOZMP-UHFFFAOYSA-N	313.774	1.017	50	20	DDGD	
Cn1ncc2c(NC[C@@]3(C)C[C@H]3Br)nc(N)nc21	856787714	QLGQLMBYGWWHHA-RDDDGLTNSA-N	311.187	1.531	50	20	DDGD	
O=C(NC[C@H]1CC(=O)N(C2CC2)C1)NNc1ccc(F)c(F)c1	921869992	IWWMSKRGCBPRJY-SECBINFHSA-N	324.331	1.602	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cnc3c(c2)CCCC3)n[nH]1	757996323	SHKNPRLGJLJZOY-UHFFFAOYSA-N	314.349	1.458	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNC(=O)OCC(F)(F)F)cn1	856018809	HKJBSDQXMXCRKY-UHFFFAOYSA-N	320.271	1.707	50	20	DDGD	
CCOC(=O)NC1CCC(=NNC(=O)[C@H]2CCO[C@H]2C)CC1	853368510	LLEOWECKQIHSGX-BJEKPXQXSA-N	311.382	1.572	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@H]1C[C@H](OC)C1)c1ccccc1	858984513	RABVXMAAZSUGFU-IHRRRGAJSA-N	305.378	1.688	50	20	DDGD	
C[C@H](CO)CCCNC(=O)NC[C@]1(C)C[C@H]1Br	856881429	RMTIZQQBCRYSPJ-UMNHJUIQSA-N	307.232	1.868	50	20	DDGD	
C[C@@]1(CNc2cncc(-n3cncn3)n2)C[C@@H]1Br	856787654	ZGKVMUPMIMLODP-KWQFWETISA-N	309.171	1.643	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2C[C@@H](C)OC(C)(C)C2)c1	858706105	QYFIHTBWUMOREV-SNVBAGLBSA-N	311.407	1.910	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)c1cc(C(F)(F)F)n[nH]1	857533806	MZJXYQOAIRWRSR-UHFFFAOYSA-N	307.182	1.859	50	20	DDGD	
O=C(NNC(=O)c1cc(O)cc(Br)c1)NC1CC1	858778654	QSHWWHUODGZIBQ-UHFFFAOYSA-N	314.139	1.261	50	20	DDGD	
O=C(CN1CC[C@H]2C[C@@H]2C1)NNC(=O)c1ccccc1Cl	852633724	DFVPRNHUUUKTOD-WDEREUQCSA-N	307.781	1.443	50	20	DDGD	
CC(C)OCCNC(=O)NNC(=O)c1cc2c(s1)CCC2	754300900	GLBUVEYWCGZYGS-UHFFFAOYSA-N	311.407	1.606	50	20	DDGD	
COCCCNC(=O)NN=Cc1cnc([C@@H]2CCCO2)s1	755667814	CZCCCNWHHWRPHE-NSHDSACASA-N	312.395	1.664	50	20	DDGD	
Cn1cc(C=NNC(=O)c2ccc(O)cc2)c(-c2ccncc2)n1	920358666	YKNINGSLGBOCHM-UHFFFAOYSA-N	321.340	1.952	50	20	DDGD	
CO[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2O)C1(C)C	753552213	UDEPUNJGJJAEJB-NEPJUHHUSA-N	307.350	1.150	50	20	DDGD	
C#CCCCC(=O)NNC(=O)COc1ccc(Cl)c(C)c1	757798587	BAEGMFOCUOUSQE-UHFFFAOYSA-N	308.765	1.978	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1csc(Br)c1	854926857	NGWBGVAWCBTJFE-UHFFFAOYSA-N	308.226	1.592	50	20	DDGD	
O=C(Cn1ncc2ccccc21)NNC(=O)OCC(F)(F)F	856023679	RSZZQSKKSRGIGL-UHFFFAOYSA-N	316.239	1.356	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)c1ccc2nc[nH]c2n1	755240869	IEXCEEGPFIQZSP-UHFFFAOYSA-N	323.356	1.742	50	20	DDGD	
Cn1nncc1NNC(=O)[C@@H](C(=O)OC(C)(C)C)C1CCCC1	857270305	XWQVQJUSPCOKPA-LBPRGKRZSA-N	323.397	1.406	50	20	DDGD	
O=C(CCC[C@@H](O)c1ccccc1)NNC(=O)c1cc[nH]n1	855355419	YKPNHHNTVRFQDX-CYBMUJFWSA-N	302.334	1.075	50	20	DDGD	
CCn1nccc1C=NNC(=O)CSc1nc(C)cc(C)n1	753693307	RKQKUGMTHLJZED-UHFFFAOYSA-N	318.406	1.552	50	20	DDGD	
Nc1n[nH]c(CCNC(=O)CCCC[C@@H]2CCSS2)n1	854516947	UTZUNGIWOUWFHU-SECBINFHSA-N	315.468	1.760	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=Cc1cccc(O)c1	750945433	MCPARLGWSHVLEI-UHFFFAOYSA-N	303.343	1.334	50	20	DDGD	
COC(=O)Cc1c(C(=O)NNC(=O)C2CC2)[nH]c2ccccc12	854180286	LCEUKTXXQBYBFO-UHFFFAOYSA-N	315.329	1.054	50	20	DDGD	
NC(=O)c1ccc(NC(=O)NNC(=O)C2CCCC2)cc1F	756353434	ZCYFOLRBPIEGCG-UHFFFAOYSA-N	308.313	1.268	50	20	DDGD	
CC[C@H](CN1CCCC1)NC(=O)NNC(=O)c1ccc(C)o1	758848361	WYFOJHGNBPIYDA-GFCCVEGCSA-N	308.382	1.406	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1nn(C)c(=O)c2ccccc12)C1CC1	853272966	WGQZOPKORGGAKP-ZDUSSCGKSA-N	314.345	1.074	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)c1cccc(C(=O)O)c1	853426053	NMCYNNNCCAHJJS-GFCCVEGCSA-N	303.318	1.159	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)c1	935024330	ULLMNCCQCDNBSA-UHFFFAOYSA-N	320.368	1.966	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CN2C[C@H]3CCC[C@H]2C3)cc1	934378033	OPDDSULNVKWOMT-ZFWWWQNUSA-N	312.373	1.194	50	20	DDGD	
CC(C)[C@@H]1C[C@H](C(=O)NNC(=O)Cc2cccnc2)CCO1	931968044	OOASGUCJAWMGCR-KGLIPLIRSA-N	305.378	1.223	50	20	DDGD	
CC[C@@]1(C(=O)NNc2nc3ccccc3cc2C)CCNC1=O	867243665	ZLLLYAZKOJKMNF-QGZVFWFLSA-N	312.373	1.903	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)Cc1ccc(F)c(Cl)c1	763824559	MESCYUYJVAROTB-SECBINFHSA-N	315.776	1.857	50	20	DDGD	
C[C@H](NNC(=O)Cc1nn(C)c2ccccc12)C(F)(F)F	862322020	DCJNBAKYFDVART-QMMMGPOBSA-N	300.284	1.687	50	20	DDGD	
Cn1cc(N2C[C@@H](C(=O)NNc3ccccc3F)CC2=O)cn1	860314032	YTUVBTYNIMRIBO-JTQLQIEISA-N	317.324	1.055	50	20	DDGD	
O=C(NNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccn1	765460925	WBLIRAIQCOFHBW-UHFFFAOYSA-N	320.692	1.718	50	20	DDGD	
O=C(NNC(=S)NCc1ccon1)c1ccc(Cl)nc1	764461004	FJCKDSOFSRDZPA-UHFFFAOYSA-N	311.754	1.032	50	20	DDGD	
C[C@@H](NCC(=O)NNC(=O)C1CC1)c1ccc2c(c1)CCCC2	760903646	VRWVDJNZEPNLNV-GFCCVEGCSA-N	315.417	1.773	50	20	DDGD	
CC(C)[C@H](CC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1	862456082	UWGGEYBVIDRURK-UONOGXRCSA-N	317.389	1.242	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1cncc(C)c1	767377254	HYPJVABYDDVUNS-UHFFFAOYSA-N	300.318	1.253	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cn(-c2ccc(F)cc2)nn1	863122655	KYNGDSISWVMIRB-HZMBPMFUSA-N	317.324	1.282	50	20	DDGD	
CCN(CC)S(=O)(=O)c1cccc(C(=O)NN=C(C)C)c1	864216602	JCJUDBCCPUHTGW-UHFFFAOYSA-N	311.407	1.843	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(-n2ccc(C)n2)cc1	764466015	RRDYLNKTFZEDGQ-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=S)NCc1ccon1	764461766	HVMOSBVJJFMNOL-UHFFFAOYSA-N	304.375	1.303	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNC(=O)c1ccc(Cl)cc1F	866319868	CRJOIUVHZVLTPO-LLVKDONJSA-N	315.732	1.155	50	20	DDGD	
COc1cccc([C@H](O)C(=O)NNC(=O)c2ccccc2C)c1	764616518	GEVNULOOPWZBID-HNNXBMFYSA-N	314.341	1.498	50	20	DDGD	
CCC(O)(CC)CCNC(=O)NNC(=O)c1ccc(OC)cc1	1116734727	XUCLGNUXZJCEKC-UHFFFAOYSA-N	323.393	1.580	50	20	DDGD	
CSc1cc(C(=O)NNc2nnc(C)c(O)n2)ccc1F	767147434	AYQZETIWRNTIHL-UHFFFAOYSA-N	309.326	1.504	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@@H](C)N(C)C[C@@H]1C	769141212	KFDYHLAIANFVRO-MNOVXSKESA-N	312.845	1.903	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)NCc1ccoc1	763485776	MCCYULIEEOXWIT-UHFFFAOYSA-N	321.358	1.608	50	20	DDGD	
CC[C@H](C)C(=O)OCC(=O)NNC(=O)Cc1ccccc1C	767266937	SHFAASJVWUPWBN-NSHDSACASA-N	306.362	1.274	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCCCCCCN1CCCC1	875339335	KXBJQZFOZMMHCP-UHFFFAOYSA-N	314.430	1.945	50	20	DDGD	
CC(C)N1CCC(CCNC(=O)NNc2ncccn2)CC1	876031823	SPQKCURXRQJRFE-UHFFFAOYSA-N	306.414	1.613	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H]2CCCCN2C)c1	874951032	ZZEYYEUMFHAMHM-CQSZACIVSA-N	316.430	1.470	50	20	DDGD	
Cc1cccc(NNC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)n1	875471567	ABZWAEDCGHLPRI-LLVKDONJSA-N	303.366	1.027	50	20	DDGD	
CCc1nn(C)c(OC)c1CNC(=O)NNc1ccc(F)cc1	772604257	FHJNKQFAXXJPJH-UHFFFAOYSA-N	321.356	1.957	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccnn1[C@@H](C)CC(C)C	775765257	IVJFKAQCMKWWKI-NSHDSACASA-N	311.386	1.679	50	20	DDGD	
CC(=O)NNC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C	877961228	LEHQAMDNQVAXBD-NEPJUHHUSA-N	313.398	1.627	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC2COC(C)(C)OC2)c1	875492991	YPDQBPQMTPTCFK-UHFFFAOYSA-N	313.379	1.152	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C[C@H]1C[C@H]2CC[C@H]1C2	771894911	SRUPQBNETYNRQG-XDQVBPFNSA-N	324.421	1.938	50	20	DDGD	
C[C@H](NC(=O)NNc1c(F)cccc1F)[C@H]1CN(C)CCO1	770436036	TWIFVDWSRCSHME-JOYOIKCWSA-N	314.336	1.310	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H]1COc2cc(C)c(C)cc21	770223112	LVLKNQBEMMXNAH-ZDUSSCGKSA-N	305.378	1.910	50	20	DDGD	
CC[C@@H](CO)C(=O)NNC(=O)CSc1ccc(Cl)cc1	779723821	AUMKDJRYQWJIAS-VIFPVBQESA-N	316.810	1.598	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@H](OC)C(C)C)cc1OC	770219792	MJTIDZDYZREZEV-CQSZACIVSA-N	324.377	1.526	50	20	DDGD	
Cc1cnccc1C(=O)NNC(=O)COc1ccccc1F	770211178	AJXOLTLAPSEOPC-UHFFFAOYSA-N	303.293	1.369	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CNC1(c2cccc(C#N)c2)CC1	775430890	RLQNWJLFBCBQHS-UHFFFAOYSA-N	314.389	1.330	50	20	DDGD	
Cc1ccc2oc(C(=O)NNC(=O)C3CCOCC3)cc2c1	883062180	SSOCTSDASKBTJP-UHFFFAOYSA-N	302.330	1.929	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1coc(C)n1	788956002	YXYVDKXMHRBZCB-AWEZNQCLSA-N	301.302	1.663	50	20	DDGD	
CCS(=O)(=O)CCNC(=O)[C@@H](Br)C(C)(C)C	781086953	AZUNIMCHGHSLFQ-MRVPVSSYSA-N	314.245	1.347	50	20	DDGD	
Cc1cc(-n2cccn2)ccc1NC(=O)NNC(=O)C(C)C	789331715	TXUHRSQZOFPMGZ-UHFFFAOYSA-N	301.350	1.989	50	20	DDGD	
COc1ccc(C=NNC(=O)COc2ccccc2OC)cn1	780195160	RLXDDWBIZQYYNG-UHFFFAOYSA-N	315.329	1.628	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCC(=O)c1ccc2c(c1)CCN2C=O	786680469	ZSXVIGADYPAMSW-VIZOYTHASA-N	324.336	1.791	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NC[C@H]2CCC=CO2)c1	780735802	VGBNVDVBWZCYLB-CQSZACIVSA-N	318.377	1.389	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@@H]2CCN(C)C2=O)cc1	782451276	OJJQJGDWDAGBRN-NRMKIYEFSA-N	314.341	1.766	50	20	DDGD	
Cc1cc(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)n(C)n1	788254848	KTXJIHJMSSNJRH-UHFFFAOYSA-N	316.365	1.579	50	20	DDGD	
COc1ccc(O)c(CNS(=O)(=O)CBr)c1	782454542	BMBCIAJEYJRMNZ-UHFFFAOYSA-N	310.169	1.173	50	20	DDGD	
CCN(CCC#N)C(=O)COC(=O)/C(C#N)=C/c1ccccc1	785377761	VRUIEGYVQBEUGJ-RVDMUPIBSA-N	311.341	1.899	50	20	DDGD	
CCN1C[C@H](C(=O)NNc2c(F)cc(F)cc2F)CC1=O	885150667	FWURNFJGNIBHSW-SSDOTTSWSA-N	301.268	1.415	50	20	DDGD	
Cn1nc(Br)cc1C=NNC(=O)Cc1cccnc1	782232521	YPNULMNBMFZQBQ-UHFFFAOYSA-N	322.166	1.270	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cnn(C)c1C(F)(F)F	782100259	NECOBAJTRAXDMM-LURJTMIESA-N	307.276	1.638	50	20	DDGD	
N#CC1=CCN(C(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1	780686502	AUEVTWLVKJSCIS-OKILXGFUSA-N	315.373	1.234	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2c(F)cccc2Cl)C(=O)O1	896347006	NSOGNMWIPFOPJJ-MUWHJKNJSA-N	301.705	1.809	50	20	DDGD	
O=C(NC[C@@H]1CC2(CCNCC2)CO1)NNc1ccccc1	892774786	AYJWUYUNYYDBSL-AWEZNQCLSA-N	304.394	1.471	50	20	DDGD	
C[C@@H]1CCN(S(=O)(=O)CBr)[C@H]([C@@H](C)O)C1	785532751	YPHRTHZUJGLTFL-HLTSFMKQSA-N	300.218	1.150	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cc([N+](=O)[O-])cnc1O	798353851	FEBZWLSVUYXKNY-UHFFFAOYSA-N	316.273	1.079	50	20	DDGD	
CC(=NNC(=O)c1ccnc(N(C)C)c1)c1ccnc(F)c1	794910387	ZVDOHMWIOVXCLZ-UHFFFAOYSA-N	301.325	1.836	50	20	DDGD	
COC(=O)Cc1cccc(NC(=O)NCCSSC)n1	794331311	SHYITQZKKJUCRK-UHFFFAOYSA-N	315.420	1.930	50	20	DDGD	
COC(=O)C[C@@H]1CCC(=NNC(=O)Cc2ccncc2)[C@@H]1C	794515233	YZYOXRYNVDSEOX-YPMHNXCESA-N	303.362	1.706	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)c2c[nH]nc2C)[nH]c1C	799480628	OPKNAXTVDOWPQK-UHFFFAOYSA-N	303.322	1.295	50	20	DDGD	
CC(C)CO[C@H]1CC(=NNC(=O)C[n+]2ccccc2)C1(C)C	794457219	LZHGBYUDMCWTCM-HNNXBMFYSA-O	304.414	1.917	50	20	DDGD	
COCc1cc(C=NNC(=O)COc2cccc(C)c2)no1	794868090	DWANFPLLWAZMQL-UHFFFAOYSA-N	303.318	1.659	50	20	DDGD	
Cc1nn(-c2ccccc2)c(N)c1C=NNC(=O)c1ccc[nH]1	794888592	KFLQZMYZWBUGLR-UHFFFAOYSA-N	308.345	1.855	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC(C)(C)C[C@H](C)O)cc1	1318889389	IWQYHTRVLULMRB-NSHDSACASA-N	323.393	1.436	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1ccc([S@](C)=O)cc1	1319001950	VSSBHTNWDOWUGI-NRFANRHFSA-N	322.415	1.535	50	20	DDGD	
O=C(CCNc1ccccc1)NNc1ccc(-n2ccnc2)nn1	1328669821	SPLDZOKMZBBCRQ-UHFFFAOYSA-N	323.360	1.608	50	20	DDGD	
CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)NNc1ccncn1	1324482746	NZFHPFGBRMCYPF-NSHDSACASA-N	308.386	1.042	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CC2CCC1CC2	1325223489	XPORCYXNZYHXBW-UHFFFAOYSA-N	315.417	1.559	50	20	DDGD	
COc1cc(Cl)cc(C=NNC(=O)C[n+]2ccccc2)c1O	1321539966	HJYMWDPJGIOGLF-UHFFFAOYSA-O	320.756	1.492	50	20	DDGD	
COc1cc(O)ccc1C=NNC(=O)c1sc(N)nc1C	1321515503	GFOOQDFNPGTKFW-UHFFFAOYSA-N	306.347	1.512	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc2nccnc2cc1F	1322374955	QOGMWICNIWHXIL-UHFFFAOYSA-N	307.354	1.286	50	20	DDGD	
COc1ccc([C@@H](C)N(C)C(=O)NNC(=O)c2cn[nH]c2)cc1	1331536947	NIEAMXCGEKKJIT-SNVBAGLBSA-N	317.349	1.466	50	20	DDGD	
CC(C)N1CCC[C@H]1C(=O)NNC(=O)CNc1ccccc1	1335404751	IAEFOWKCXUBZNX-AWEZNQCLSA-N	304.394	1.119	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C1=NO[C@@H](c2ccccc2)C1	1337742227	SYMPPIPSGBJABG-GFCCVEGCSA-N	306.391	1.408	50	20	DDGD	
CS[C@H](C)CCC(=O)NNC(=O)c1n[nH]c2c1CCCC2	1337161473	ZRXLYDSXOHXVGF-SECBINFHSA-N	310.423	1.581	50	20	DDGD	
CC(C)(C)c1ccc(NC(=O)NNC(=O)c2ccccn2)nn1	1254736314	BGEJYVAWPJFXPL-UHFFFAOYSA-N	314.349	1.636	50	20	DDGD	
CCCN(CC)c1ccc(C(=O)NNC(=S)NC(C)C)cn1	1338195089	UFGGYQZKWDLZPY-UHFFFAOYSA-N	323.466	1.835	50	20	DDGD	
CCN(CC)CCNC(=O)c1cccc(NC(=O)CCl)c1	1336909653	CSWIIHLICVWDQN-UHFFFAOYSA-N	311.813	1.936	50	20	DDGD	
Cn1nncc1NNC(=O)CCc1nc2ccccc2s1	1347709226	KZVWZQMOWSLMEM-UHFFFAOYSA-N	302.363	1.501	50	20	DDGD	
N#Cc1cccc(NC(=O)C(=O)NNc2ncncc2Cl)c1	1343218027	PBVKEXNYLCNHPN-UHFFFAOYSA-N	316.708	1.083	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1cccnc1N(C)C	1342247386	HNTNXXFWOJYTCG-KAMYIIQDSA-N	302.378	1.597	50	20	DDGD	
Cc1nccnc1NC(=O)NNC(=O)CCCc1ccccc1	1344884943	PYEKMLALGZKZLZ-UHFFFAOYSA-N	313.361	1.961	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@@H](C)Cn2cccn2)c1	1348089477	LBQBGPKGFQAYNV-LLVKDONJSA-N	321.406	1.533	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccc(F)c(F)c1	1349432680	JXHIUVAABVFXDX-NGZCFLSTSA-N	312.316	1.641	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@H](C)[C@H]1CN(C)CCN1C	1528122358	MEGXTXDUCLLTQO-IUODEOHRSA-N	323.416	1.395	50	20	DDGD	
Cn1nc(C(=O)NNc2ccc(C(=O)O)c(F)c2)cc1C1CC1	1600998852	QQMNZWBRVVPCQW-UHFFFAOYSA-N	318.308	1.892	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H]1CC[C@H](C(=O)O)CC1	1607872034	PALOETCVUWWTDR-HAQNSBGRSA-N	304.346	1.647	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)c1ccsc1-c1nn[nH]n1	1606861347	VRMAMUOGFTZFEK-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2ccc(F)c(C(=O)O)c2)CCC1	1605516221	ZYSPURVBZDNADB-UHFFFAOYSA-N	324.308	1.700	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)COCC(=O)O)C1	1602921296	GJLPCGMQICUUFF-LLVKDONJSA-N	317.458	1.710	50	20	DDGD	
Cc1cccc([C@@H](C)C(=O)NNc2ccc(-c3nn[nH]n3)cn2)c1	1605906725	RCKWZYAZTQKNNF-LLVKDONJSA-N	323.360	1.817	50	20	DDGD	
CO[C@@H]1CN(C(=O)C2CCC(Cl)CC2)[C@@](C)(C(=O)O)C1	1606759617	FBRBXTVJPYTFSS-YXLKDIQASA-N	303.786	1.875	50	20	DDGD	
O=C(O)Cc1cccc(C(=O)NNC(=O)NC2CCCC2)c1	1602134679	BHZZHJVBPLLZDC-UHFFFAOYSA-N	305.334	1.200	50	20	DDGD	
O=C(Cn1cc(C2CC2)cn1)NNc1cccc(C(=O)O)c1F	1601383287	FNOWUIYZEGXBLD-UHFFFAOYSA-N	318.308	1.741	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cnn3c2OCCC3)c1F	1602450065	HJOLOTCADOCSKJ-UHFFFAOYSA-N	320.280	1.260	50	20	DDGD	
Cc1nc(N)nc(C)c1C(=O)NNc1cccc(C(=O)O)c1F	1607961455	WFQFWTYJPQJREN-UHFFFAOYSA-N	319.296	1.270	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)N[C@H]1C[C@@H](C(=O)O)C1	1605815432	KIXVJUZABQMMPU-DTORHVGOSA-N	323.374	1.044	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@H]1C(=O)NN=C1CCCOCC1	1549320642	OYJUOTRQMVYGAN-HIFRSBDPSA-N	320.393	1.561	50	20	DDGD	
O=C(NN=CCc1ccc(F)cc1)[C@H]1CN2CCC[C@H]2CO1	1549319034	SBFRAOKLCPBXRK-LSDHHAIUSA-N	305.353	1.333	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@H]1C(=O)NN=Cc1ccoc1	1549313802	AAPFKLKQTWQJDN-OCCSQVGLSA-N	302.334	1.631	50	20	DDGD	
Cn1c(NNC(=O)[C@@H]2CCC[C@H](C(=O)O)C2)nc2ccccc21	1610598244	GBKBUBKLIHMHIX-MNOVXSKESA-N	316.361	1.907	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)cc1Cl	1549322049	WYDOLDYSJJACKZ-UKRRQHHQSA-N	321.808	1.962	50	20	DDGD	
CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](O)CCl)n[nH]1	1814868638	BBFTUTUQZBLVPD-QWRGUYRKSA-N	314.773	1.021	50	20	DDGD	
CCCC[C@@H](N)C(=O)NNC(=O)CSc1ccc(C)cc1	1577410691	WPDAOURXJBTSNI-CYBMUJFWSA-N	309.435	1.752	50	20	DDGD	
Cc1csc2ncc(C(=O)N3CC=C(C#N)CC3)c(=O)n12	1649747171	OUBHJBNGZTWFRH-UHFFFAOYSA-N	300.343	1.360	50	20	DDGD	
CC[C@H](C)C[C@@H](N)C(=O)NNc1ccc(CC(=O)OC)cc1	1576981545	KBLXSLVUHPVRNZ-SMDDNHRTSA-N	307.394	1.609	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@](C(=O)NN)(c2ccccc2)C1	1575172041	IMRQKNNPTGLXLI-MRXNPFEDSA-N	305.378	1.555	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)CNC(C)C)c1C	1579771801	JTRCMWUFZBLKOV-ZDUSSCGKSA-N	307.394	1.216	50	20	DDGD	
NCC(F)(F)CC(=O)NNC(=S)Nc1cccc(Cl)c1	1580217400	SRAFZBHFLLGEDX-UHFFFAOYSA-N	322.768	1.642	50	20	DDGD	
C=CCSCCNC(=O)NNc1cccc(-c2nn[nH]n2)c1	1588689099	YORWEEBJAAUSGD-UHFFFAOYSA-N	319.394	1.412	50	20	DDGD	
Cc1c(C(=O)O)cc(C=NNC(=O)c2ccc(O)c(O)c2)n1C	1599984708	ZPQJBZAIUAOAKM-UHFFFAOYSA-N	317.301	1.207	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNc1cccc(-c2nn[nH]n2)c1	1591372479	IMPQUWXIKLHLGK-VHSXEESVSA-N	304.354	1.228	50	20	DDGD	
CCn1nc(C)cc1C(=O)NNc1ccc(CC(=O)O)cc1	1597943030	JIRNBERPEABMAX-UHFFFAOYSA-N	302.334	1.595	50	20	DDGD	
CO[C@H]1CCC[C@H]1CNC(=O)NNc1ccc(CC(=O)O)cc1	1599113169	GTBVCIIOWYMZFD-JSGCOSHPSA-N	321.377	1.755	50	20	DDGD	
CCCNC(=O)/C(C#N)=C/c1cccc(F)c1-c1nn[nH]n1	1590634444	GSWWOKNZPMOFPR-JXMROGBWSA-N	300.297	1.439	50	20	DDGD	
O=C(O)c1cnc2c(C=NNC(=O)C3CCCC3)cccn12	1776028552	JTJQOPQWTZXJPZ-UHFFFAOYSA-N	300.318	1.673	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2ccc3oc(C(=O)O)cc3c2)nn1	1776092380	KGFMHGACFAPRRP-UHFFFAOYSA-N	313.273	1.023	50	20	DDGD	
CCCNC(=O)NN=Cc1ccc(OCC(=O)O)c(OCC)c1	1776039761	BFMUIUBYDCQGJK-UHFFFAOYSA-N	323.349	1.592	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=C1CC[C@H](C(=O)O)c2ccccc21	1776102506	RHEHRIRRGHXZLJ-KCQAQPDRSA-N	316.357	1.894	50	20	DDGD	
CCn1ncc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)n1	1776129951	BHAOALCBJKVMLL-YRNVUSSQSA-N	311.301	1.542	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=C1CCCc2ncc(C(=O)O)cc21	1776101875	BFXFZDAFHVTWEL-SMDDNHRTSA-N	317.345	1.361	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@H]1F)[C@H](F)Cl	1799958698	DZTCOUHYTJDKAS-QKAQJGQXSA-N	306.740	1.517	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccno1)[C@H](F)Cl	1795100550	VNKDMXWDZZCTJG-DKIAZLNASA-N	315.732	1.461	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCCc1nc(C2CC2)no1	158826705	NVDGOPRQLABVAM-UHFFFAOYSA-N	317.349	1.069	50	20	DDGD	
COc1ccnc(NNC(=O)c2c(C(C)C)nn(C)c2Cl)n1	160177681	UQWYIMWWKYTXEG-UHFFFAOYSA-N	324.772	1.752	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc3c(C)c(C)ccc3[nH]2)[nH]n1	151229914	MMYRKFZNWAPICG-UHFFFAOYSA-N	311.345	1.891	50	20	DDGD	
CCCC(=O)N1CCC[C@@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1	151214462	CDWBCADBQMWDKN-CYBMUJFWSA-N	320.349	1.829	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)[nH]n1	152980193	ZOEHKALLQFJXRA-IUCAKERBSA-N	318.299	1.848	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)[nH]n1	153247561	MEAKQZRCLXESCE-KBXCAEBGSA-N	324.384	1.773	50	20	DDGD	
COc1ccnc(NNC(=O)C[C@H](C)c2c(C)n[nH]c2C)n1	154226325	JHJSHHCJWFEOKD-QMMMGPOBSA-N	304.354	1.462	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(C2=NC[C@@H](C)S2)CC1	159695644	NIPVISASJZQBTL-JPQYHBGPSA-N	308.407	1.066	50	20	DDGD	
O=S(=O)(CCCCl)NC1CCN(C2CCOCC2)CC1	907328764	QHVVJSFTXHWKJN-UHFFFAOYSA-N	324.874	1.178	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@]1(C)C[C@@H]1Br	2280703	HWGCUVGSIUBHSK-WKEGUHRASA-N	308.245	1.454	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CCOCC(F)(F)F)c1	103402322	QIALIGYWZHBPMM-UHFFFAOYSA-N	315.251	1.288	50	20	DDGD	
C=CCNC(=S)NNC(=O)C[C@H](C)c1ccccc1OC	103216739	KLZIHSRYKUNUFJ-NSHDSACASA-N	307.419	1.870	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(Cn2ccnc2)cc1	109860856	QDSVXVHNIDBJQP-UHFFFAOYSA-N	324.344	1.038	50	20	DDGD	
O=C(CNC(=O)c1ccccc1)NNc1ccc(Cl)nn1	118499443	YAFJJOXPXQCLJT-UHFFFAOYSA-N	305.725	1.003	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccnc(-n2ccnc2)c1	178832947	IUAPNYSCVFLVHX-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
Cc1nc(NC(=O)NNC(=O)COc2ccc(F)cc2)oc1C	65774271	CWTYGNMDKIUYKX-UHFFFAOYSA-N	322.296	1.662	50	20	DDGD	
CC(C)c1ccc(CCC(=O)NNC(=O)c2cnn(C)c2)cc1	117680554	FNOUMZLVBTWMIN-UHFFFAOYSA-N	314.389	1.937	50	20	DDGD	
CCCc1noc(CCCC(=O)NNc2cc(C)ncn2)n1	172280385	KWQZTZHHDMOPSU-UHFFFAOYSA-N	304.354	1.587	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)n2cnc3ccccc32)o1	176220487	OPZKVWJJNQZMDN-NSHDSACASA-N	312.329	1.960	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cn1	21921101	FMKAAXIJSYGMTM-JTQLQIEISA-N	318.308	1.153	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC(c2ccccc2)=NO1)NC1CCCC1	68283086	RWKOKRUHPLMLLX-AWEZNQCLSA-N	316.361	1.453	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)[C@H]2CCCN2S(C)(=O)=O)c1	171982847	CKZVINRQUIUEIF-CYBMUJFWSA-N	311.407	1.171	50	20	DDGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1cnccn1	170814144	MRMPWXYMGKZPTA-UHFFFAOYSA-N	311.128	1.858	50	20	DDGD	
COCCCNC(=O)N/N=C1/C(O)=Nc2c(C)cc(C)cc21	64924057	UKXKEGJMXANZFP-UHFFFAOYSA-N	304.350	1.945	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccco2)[nH]n1)NC1CCCC1	65919725	BLZDBWQOUCXMOF-UHFFFAOYSA-N	303.322	1.556	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)o1	176211037	FSKXOXCECVBFOK-NSHDSACASA-N	319.361	1.140	50	20	DDGD	
O=C(CCn1ccnn1)NNc1cccc(Br)c1	178886885	KWPKLJWPYFUDBT-UHFFFAOYSA-N	310.155	1.574	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(-n3cncn3)cc2C)ncn1	173609551	SIEFGSHVIMNUFE-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
COc1cccc(CO[C@@H](C)C(=O)NNC(=O)NC(C)C)c1	68808842	OVJUTVDKTNVPRH-NSHDSACASA-N	309.366	1.339	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cc(F)ccc2F)o1	129593482	GYGQZRIPSPQGSH-UHFFFAOYSA-N	323.255	1.266	50	20	DDGD	
COc1ccc(SCCC(=O)NNC(=O)[C@@H]2CCCO2)cc1	32259985	PPDWSBBXBGFMNB-ZDUSSCGKSA-N	324.402	1.504	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@H]1CCN(CC(F)(F)F)C1	79456176	DCXSGGSADOXDHC-SECBINFHSA-N	324.347	1.247	50	20	DDGD	
Cc1ccc(C(=O)C(=O)NNC(=O)c2ccc(C#N)cc2)cc1	129125618	NCMRHZPQHNTYHJ-UHFFFAOYSA-N	307.309	1.511	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(C(=O)N(C)C)cc2)n1	180712887	PCMJKYYEQQZLGY-UHFFFAOYSA-N	314.345	1.549	50	20	DDGD	
C[C@@H](Oc1ccccc1Cl)C(=O)NNC(=O)[C@@H]1CCCO1	32261343	HIYGGZSLRSZXCF-SKDRFNHKSA-N	312.753	1.434	50	20	DDGD	
COc1cc(C)c(NC(=O)NNC(=O)c2ccc[nH]2)cc1F	186767618	SXJRAAZTGARGPG-UHFFFAOYSA-N	306.297	1.937	50	20	DDGD	
CCn1cc(C(=O)C(=O)NNc2ccc3ccccc3n2)cn1	181082983	WTUFYKNRZHLWSS-UHFFFAOYSA-N	309.329	1.777	50	20	DDGD	
O=C(CCOc1ccccc1[N+](=O)[O-])NNc1cnccn1	186991473	RTEVVVJPMXEDAE-UHFFFAOYSA-N	303.278	1.297	50	20	DDGD	
CC[C@H](C)CN(C)CC(=O)NNC(=O)Cc1ccccc1C	137329038	LRBRBHMIMBWRLD-ZDUSSCGKSA-N	305.422	1.663	50	20	DDGD	
CCCCCNC(=O)NNC(=O)c1cc(Br)c[nH]1	43629549	HBJZUYNFGCAEKA-UHFFFAOYSA-N	317.187	1.911	50	20	DDGD	
O=C(Cc1ccc2c(c1)OCCO2)NNC(=O)CC1CCCC1	195220487	IEUXPPQIPMFVQM-UHFFFAOYSA-N	318.373	1.728	50	20	DDGD	
COC(=O)CN(CCI)C1CCCC1	190940408	CGOWLRFBHNZOKV-UHFFFAOYSA-N	311.163	1.839	50	20	DDGD	
O=C(CCC(=O)NNC(=O)C1CC1)CCC(=O)c1cccs1	47427671	HFDNAPPFOOQZMV-UHFFFAOYSA-N	322.386	1.618	50	20	DDGD	
Cc1cc2c(cc1C)O[C@H](C(=O)NNc1nc3ccccn3n1)C2	191899435	OUAVMUXPMKZVIY-AWEZNQCLSA-N	323.356	1.793	50	20	DDGD	
Cn1nccc1C(=O)NNC(=O)c1ccc(Cl)cc1Cl	195437470	QPEVVNMVCTVXOQ-UHFFFAOYSA-N	313.144	1.802	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CC[C@H](C(N)=O)C2)cc1	194561433	OWWXZKJBTGRAHZ-FYQHACEVSA-N	313.357	1.326	50	20	DDGD	
Cc1ccc(O)c(C(=O)NNC(=O)NCCc2cccs2)c1	94057130	MGKMSTBHSZPBNB-UHFFFAOYSA-N	319.386	1.949	50	20	DDGD	
Cc1nn(CC(F)(F)F)cc1C(=O)NNC(=O)C(C)(C)C	268607081	JUIDWPJVXXPSOE-UHFFFAOYSA-N	306.288	1.561	50	20	DDGD	
CCOC(=O)NCC(=O)NNC(=O)[C@H](CC)c1ccccc1	264711602	BPDXOJTWPXGXQG-GFCCVEGCSA-N	307.350	1.074	50	20	DDGD	
CC(C)(C)C(=O)C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	265422538	REGQZKXPQSSVLZ-UHFFFAOYSA-N	314.345	1.453	50	20	DDGD	
COc1ccc(O[C@@H](C)CNC(=O)NNc2cccnn2)cc1	266624549	VYMYNXARPJZMKA-NSHDSACASA-N	317.349	1.579	50	20	DDGD	
CCCCCS(=O)(=O)CC(=O)NNc1ccc(OC)cc1	266979494	CPJHTOREQTYYEE-UHFFFAOYSA-N	314.407	1.743	50	20	DDGD	
CC(C)(C(=O)NNC(=O)C[C@@](C)(O)C1CC1)c1ccccc1	270043983	KFTPMQNUFZNUBB-QGZVFWFLSA-N	304.390	1.663	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1	273009866	SATHTEJUBJXCKU-NSHDSACASA-N	319.365	1.871	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@@H]1CCc2nccn2C1	366151419	KPMZQQFPLJWDKL-SECBINFHSA-N	319.296	1.636	50	20	DDGD	
O=C(NC[C@H]1COC2(CCCCC2)O1)NNC(=O)c1ccc[nH]1	271896289	NVQLQLQLIMQOPL-NSHDSACASA-N	322.365	1.035	50	20	DDGD	
COC(=O)COc1ccc(NC(=O)NNC(=O)C2CCC2)cc1	272896975	ZUDKCGXRJGADOC-UHFFFAOYSA-N	321.333	1.191	50	20	DDGD	
C[C@@](O)(CCNS(=O)(=O)CBr)c1ccccc1	275163399	JJBRZAPOFPITOE-LLVKDONJSA-N	322.224	1.556	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@H]1COc2cc(F)cc(F)c21	368161150	OMBNTCNOLWTCQD-JTQLQIEISA-N	322.271	1.371	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)CC1(OC)CCC1	276766991	HOQNMFBCVXGUCD-UHFFFAOYSA-N	321.377	1.214	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C(C)(C)C	277920798	RIPQJDSCUXOGJU-AAEUAGOBSA-N	307.394	1.546	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCc1nnc2n1CCC2	274335104	RXAPXHDKJJTOIL-SNVBAGLBSA-N	315.215	1.650	50	20	DDGD	
CC(C)O[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc[nH]2)C1(C)C	274493347	KMNAKMLETQTLET-RYUDHWBXSA-N	308.382	1.551	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NC[C@H]1CCS(=O)(=O)C1	274504245	JANBSFBGRSTKAO-SNVBAGLBSA-N	315.370	1.195	50	20	DDGD	
Cc1c(C(=O)NNC(=O)OC(C)(C)C)cnn1C1CCOCC1	270910945	XCLDTDJWOOOGHO-UHFFFAOYSA-N	324.381	1.713	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CCCCc1c[nH]nn1	273324047	ZWNCMNXANOXMIP-UHFFFAOYSA-N	301.350	1.287	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2CCO[C@H](C(C)C)C2)n1	271539059	PEWJECFQPSMAPR-STQMWFEESA-N	307.398	1.923	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H]1CCCCC(=O)N1	281184277	JSJMWDYCEICHTB-GFCCVEGCSA-N	304.350	1.207	50	20	DDGD	
CSSCCNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1	284159097	QTIRNWIBHLFNKI-SNVBAGLBSA-N	314.432	1.756	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCc3cnn(C)c3C2)s1	281625350	NXSAKCVJWYPWMI-JTQLQIEISA-N	318.402	1.356	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CCCC(=O)N(C)C	281388832	XUNNGUBDYSFVQQ-UHFFFAOYSA-N	306.366	1.406	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)CC1CC1	298284923	KJONSFYDWGMVBR-UHFFFAOYSA-N	300.362	1.546	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)Cn2cc(Cl)cn2)c1	807184123	VARSESICHYDPEO-UHFFFAOYSA-N	311.132	1.600	50	20	DDGD	
CCOC(=O)NCC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	299269859	UDJOPJNWAJEUPX-UHFFFAOYSA-N	316.701	1.437	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H](c1ccccc1)n1cccn1	299703180	RFHBQVKQFKMUHZ-ZDUSSCGKSA-N	301.350	1.211	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1cccc(Cl)n1)N1CCCC1=O	293586427	BMPGTQGIMJQFEL-ZDUSSCGKSA-N	310.785	1.825	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@@H]1OC[C@@H]2COCC[C@H]21	291356683	SUJCCNNJIGMLJL-ZWKOPEQDSA-N	307.306	1.089	50	20	DDGD	
CCO[C@@H](CC(=O)NNc1ccc(-n2ccnc2)nn1)C(C)C	804958425	WGZBMAPLTNCUEO-LBPRGKRZSA-N	318.381	1.557	50	20	DDGD	
CC(C)(C)C(=O)NCCNC(=O)NNc1cccc(Cl)n1	292484562	BARSISSLZMCTFJ-UHFFFAOYSA-N	313.789	1.523	50	20	DDGD	
C[C@H]1CC(CCNS(=O)(=O)CBr)C[C@H](C)O1	801704376	KHHKUWVVLZSPPO-IUCAKERBSA-N	314.245	1.852	50	20	DDGD	
CC(C)c1[nH]ccc1C(=O)NNc1ccc(-n2ccnc2)nn1	804957137	BUVXWDIEKBNJOR-UHFFFAOYSA-N	311.349	1.871	50	20	DDGD	
CCn1nc(C)c(C(=O)Oc2ccc([N+](=O)[O-])cc2OC)n1	293026459	KYQHPRQFLUUZQK-UHFFFAOYSA-N	306.278	1.742	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c(F)c1	295148403	BCMLVARZMQSDGP-ONGXEEELSA-N	316.354	1.011	50	20	DDGD	
COC1(CCNC(=O)NNC(=O)c2ccccc2C)CCC1	296371185	RJUNPHMIDSWPNK-UHFFFAOYSA-N	305.378	1.898	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CC2OCCCO2)cc1	802062085	CLZUFPXPSBBGOO-UHFFFAOYSA-N	309.322	1.001	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NNc2ncncc2F)C1	293916889	GSGJFLYBWSVSID-QWRGUYRKSA-N	323.372	1.344	50	20	DDGD	
CNC(=O)NNC(=O)c1cn(-c2ccccc2)nc1C(C)C	819155783	RPGXMAPHNCGGPK-UHFFFAOYSA-N	301.350	1.570	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)CCCC#N	812532235	MOPPVBNYDQMFKU-UHFFFAOYSA-N	313.361	1.440	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(OC(C)(C)C)cn1	815506088	KRMUFLSWWGKALD-UHFFFAOYSA-N	317.349	1.365	50	20	DDGD	
CC(C)c1cccc(NC(=O)C(=O)NNc2ncncc2F)c1	815764962	ANDYEVVGEBCHAY-UHFFFAOYSA-N	317.324	1.821	50	20	DDGD	
CC(Cn1cccn1)=NNC(=O)Nc1ccc(C(=O)O)cc1	814859740	YBDUAUGETGPGSG-UHFFFAOYSA-N	301.306	1.779	50	20	DDGD	
Cc1ccc(C(=O)NN=C2CCN(CC(C)(C)O)CC2)c(O)c1	814218261	MHXUNOGVOSCWBL-UHFFFAOYSA-N	319.405	1.653	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC(C)C)ccc1-n1cccn1	817519088	YQFGRPJBYRYJNH-UHFFFAOYSA-N	300.362	1.988	50	20	DDGD	
O=C(NC[C@@H]1COc2ccccc21)NNc1ncncc1F	814336570	WXDWQQDMRQCKAL-SECBINFHSA-N	303.297	1.418	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccnc(-c3ncc[nH]3)c2)n1	814295912	KIBIKCLTPAHOOU-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
CCc1c(C(=O)NNC(=O)COc2ccccc2O)ccn1C	810365320	QUGUVCFJQAWWMT-UHFFFAOYSA-N	317.345	1.133	50	20	DDGD	
C[C@H]1COCCN1C(=O)NNC(=O)c1cccc2cccnc12	728952001	IIOKLOQISUTAEI-NSHDSACASA-N	314.345	1.310	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCC(C)CC1)c1c[nH]nc1C	814763177	VGXIENVELNPLLH-LBPRGKRZSA-N	305.426	1.926	50	20	DDGD	
Cc1cc(Cl)cc2c1OCC2=NNC(=O)C(=O)NC1CC1	814778222	VRWRFHQAGLQZAO-UHFFFAOYSA-N	307.737	1.140	50	20	DDGD	
C[C@H]1CN(c2ccc(NC(=O)NN(C)C3CC3)cn2)C[C@@H](C)O1	824076540	UUZUKHNRKIZDMF-TXEJJXNPSA-N	319.409	1.826	50	20	DDGD	
O=C(CCc1cccnc1)NNC(=O)Cc1ccccc1F	725896376	CNPBEULGBMOYIM-UHFFFAOYSA-N	301.321	1.543	50	20	DDGD	
Cc1ccc([C@H](CNC(=O)NNC(=O)C(C)C)N2CCCC2)o1	725871187	DIPFBXAVVAGBHP-ZDUSSCGKSA-N	322.409	1.711	50	20	DDGD	
CCCCCCOCC(=O)NNc1ccc(-c2nn[nH]n2)cc1	825271699	MICRAJWEKFNKEO-UHFFFAOYSA-N	318.381	1.907	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cnc2n1CCC2)c1ccccc1	827184482	BGZJRZDJBNWVJG-CYBMUJFWSA-N	312.373	1.784	50	20	DDGD	
CCNC(=O)N(C)N=Cc1c[nH]c2ccc(-c3nn[nH]n3)cc12	825470262	APAVXMPGIYNGSZ-UHFFFAOYSA-N	312.337	1.343	50	20	DDGD	
Cc1cccc([C@H](C)CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	826070045	OBPZIARVLFWSGK-UMVBOHGHSA-N	319.405	1.854	50	20	DDGD	
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NN(C)[C@H](C)CO	823934044	AJMMXTJDPQKTSL-YPMHNXCESA-N	309.366	1.507	50	20	DDGD	
Cc1ccncc1/C=C\C(=O)NNc1nc(-c2ccncc2)no1	493843452	JWACCQDMWRYIIH-IHWYPQMZSA-N	322.328	1.992	50	20	DDGD	
C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CC=C(C#N)CC1	824047066	WOLPNTJLSYIJDB-LLVKDONJSA-N	323.360	1.349	50	20	DDGD	
CCOC(=O)NNC(=O)C(C)(C)Cc1nc2ccccc2[nH]1	492174077	UJEQGJFFRUJBCB-UHFFFAOYSA-N	304.350	1.909	50	20	DDGD	
COC(=O)C(C)(C)CCNC(=O)[C@]1(C)C[C@H]1Br	908125464	RJYUFYGSEJEGGK-PRHODGIISA-N	306.200	1.865	50	20	DDGD	
COc1cccc(NNC(=O)CN(C)CCc2ccccc2)n1	821793499	YIQMOGVFTKFGTL-UHFFFAOYSA-N	314.389	1.708	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc2c(OC)cccc2[nH]1	906417569	XCTREDKMIGYGLX-UHFFFAOYSA-N	304.350	1.921	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](CC(=O)N(C)C)c1ccccc1	491080277	CSXOZHDECWNSEF-ZQHYZAEZSA-N	315.373	1.766	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F	822963838	JYJOLXBSSWWTFQ-RITPCOANSA-N	321.126	1.563	50	20	DDGD	
CC(C)=CCN1CCC(NCc2ccc(B(O)O)cc2F)CC1	585022171	KJFQYYNGMVSWGW-UHFFFAOYSA-N	320.217	1.026	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@@H]2CCS[C@H]2C)c1	825551183	FNFLLVSUSUKTCB-WCQYABFASA-N	323.418	1.598	50	20	DDGD	
Cc1nc2n(n1)C[C@H](NC(=O)[C@@]1(C)C[C@@H]1Br)CC2	906522658	KHIBKBJHYWKVEC-PTRXPTGYSA-N	313.199	1.191	50	20	DDGD	
CCOC(=O)NNC(=O)CCN(Cc1ccccc1)C(C)=O	490966276	JZNVRFFOBYJQRF-UHFFFAOYSA-N	307.350	1.203	50	20	DDGD	
Cc1cc(=O)n(C)cc1NC(=O)/C(C#N)=C/c1ccc(O)cc1	490909976	PHRXLPPRJMFNHH-MDWZMJQESA-N	309.325	1.945	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1nccnc1C1CCC1	495837398	RWUFHQBOLBKKCQ-UHFFFAOYSA-N	321.381	1.666	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)c1ccc(Cl)nc1	730782092	HEZUGGUBAMCGKX-UHFFFAOYSA-N	321.720	1.281	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)[C@H]1CCS(=O)(=O)C1	836931453	AYJSUTLECASFQD-VIFPVBQESA-N	302.783	1.526	50	20	DDGD	
CN(C)c1nc(CNC(=O)[C@]2(C)C[C@H]2Br)cs1	906887084	XZQJFHNVNQABCM-LDYMZIIASA-N	318.240	1.999	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)NC[C@@H]2CC2(C)C)c1	732826062	NXPHOFLGZWHYOV-NSHDSACASA-N	321.377	1.694	50	20	DDGD	
O=C(N[C@@H]1CCC[C@@H](C2CC2)C1)c1ccc(B(O)O)c(F)c1	584952001	QQTYNBITKHSMIV-DGCLKSJQSA-N	305.158	1.204	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CC(C)(C)C1CC1	830190967	TUYINSCGWHDXRF-UHFFFAOYSA-N	300.399	1.749	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCCC[C@@H]1C1CCC1	585002675	CHXHTQJJQNWCLV-OAHLLOKOSA-N	305.158	1.300	50	20	DDGD	
Cc1nnc(NNC(=O)C[C@@H](C)C(=O)c2ccccc2)nc1O	732828645	OVFZLBIJJRBGMS-SECBINFHSA-N	315.333	1.238	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)C[C@@H]1CCOC1	739680143	LAMABUCSINMJNC-NSHDSACASA-N	301.346	1.284	50	20	DDGD	
CNC(=O)NN=Cc1ccc(OCc2occc2C(=O)O)cc1	730946622	FQGBEZFSDMZBOX-UHFFFAOYSA-N	317.301	1.820	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2CCCN(CCCO)C2)C[C@H]1Br	908539574	BAPVTZCQVATQHX-WZRBSPASSA-N	319.243	1.123	50	20	DDGD	
COCC1(CNC(=O)NNC(=O)Cc2cccnc2)CCCC1	836280129	UYOACEHINLBNCU-UHFFFAOYSA-N	320.393	1.161	50	20	DDGD	
O=C(COC1CCOCC1)NNc1nc(-c2ccccc2)no1	735272650	KDDNRLYYFYEEMF-UHFFFAOYSA-N	318.333	1.375	50	20	DDGD	
CC(C)(C)n1ncnc1CNC(=O)[C@@]1(C)C[C@H]1Br	908020686	NQNIPDXPXGVPBZ-PELKAZGASA-N	315.215	1.823	50	20	DDGD	
O=C(NCCc1ccc(F)cc1Cl)NNC(=O)c1ccc[nH]1	733658157	ACEDXNATCPNTTD-UHFFFAOYSA-N	324.743	1.994	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H](C2CCC2)C2CC2)n1	836437674	QGRQUZBHYGWNRK-AWEZNQCLSA-N	302.378	1.913	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNC(=O)c1cc2c(s1)CCC2	839472543	ATBFOMLMTMPUCU-SNVBAGLBSA-N	323.418	1.145	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)C[C@@H]2CCOC2)cc1	739680567	PKTQRKNDNNKAKU-LBPRGKRZSA-N	308.403	1.661	50	20	DDGD	
O=C(CN1CC[C@@H](C2CCC2)C1)NNC(=O)c1cccs1	839675907	IHTFNIVEDXHHFZ-GFCCVEGCSA-N	307.419	1.631	50	20	DDGD	
O=C(NCCOc1ccc(F)cc1)NNC(=O)c1ccc[nH]1	916612706	GFWNQLFHEROLCI-UHFFFAOYSA-N	306.297	1.177	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc2c(c1)N(C)CC2	831616938	YRQWVPYVSWBQNO-GWCFXTLKSA-N	318.377	1.257	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cccc(OCc2cscn2)c1	910178350	AAWFNPZYGVBKPI-LLVKDONJSA-N	321.402	1.680	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)CC(F)(F)F)C[C@H]1Br	911424618	CUQMSSSORKJZHS-FBCQKBJTSA-N	303.078	1.260	50	20	DDGD	
CC(C)[C@H](NC(=O)NNC(=O)[C@@H]1CCCCO1)C(F)(F)F	836417500	APPAHTFJIARFPW-IUCAKERBSA-N	311.304	1.473	50	20	DDGD	
CCOc1cc(C(=O)NN(C)C[C@H](C)O)cc(Cl)c1O	910180876	ONLGEHCOQNODSZ-QMMMGPOBSA-N	302.758	1.402	50	20	DDGD	
CCNC(=O)NN=C(C)c1cccc(OCC(=O)OCC)c1	747049392	OYARLVMUZIHPSJ-UHFFFAOYSA-N	307.350	1.672	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccnc(N2CCC[C@@H](C)C2)c1	910147022	INPSQXKAGSFUAN-CHWSQXEVSA-N	306.410	1.275	50	20	DDGD	
CN(CCO)c1ccc(C=NNC(=O)CC(F)(F)F)cc1	917550729	MRWHDOFQNAPDOU-UHFFFAOYSA-N	303.284	1.518	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C2[C@H]3CCC[C@H]23)cc1C	748524754	XCAZOTHEPOUELB-KBPBESRZSA-N	302.374	1.876	50	20	DDGD	
CCn1nncc1C=NNC(=O)[C@H](C)Oc1ccccc1F	841613427	YHABEFFAZCVJLR-JTQLQIEISA-N	305.313	1.355	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCCCN1CCNCC1	841920937	ZYSXSAGCTLIMIS-UHFFFAOYSA-N	309.389	1.056	50	20	DDGD	
O=C(NN=Cc1cnc2cnc(Br)cn12)C1CC1	746366202	JUPZCVFVCQYUGB-UHFFFAOYSA-N	308.139	1.352	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(OC(F)F)c(Cl)c1	911445262	QKRXIDNDFUKMGK-ZETCQYMHSA-N	308.712	1.899	50	20	DDGD	
CCn1c(NNC(=O)CCNC2CC2)nc2ccccc2c1=O	848395311	BKXMUMTYCYDTNH-UHFFFAOYSA-N	315.377	1.002	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)c1cccc(O)c1	917361439	CHFVBWQTFQUQEL-UHFFFAOYSA-N	300.314	1.622	50	20	DDGD	
C[C@@H]1CCCc2ncc(C(=O)NNc3ncncc3Cl)n21	845993740	SEMSVCWYCIADCB-MRVPVSSYSA-N	306.757	1.981	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)[C@@H]2CCO[C@@H]2C)c(OC)c1	842555008	NEQDVKDKGVUKKV-BXUZGUMPSA-N	306.362	1.969	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@@H]1CCN[C@@H](C)C1	841989253	ZQWJLCCDLLXQGX-GXTWGEPZSA-N	304.394	1.008	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	749758633	OWFCDAZNDCITPC-VHSXEESVSA-N	313.398	1.887	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=C1CCN(Cc2ccccc2)C1=O	842551229	CFPOUUGRNYWJCZ-GXTWGEPZSA-N	315.373	1.316	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1	848083647	JHTHPBVZZAPNAM-SNVBAGLBSA-N	307.133	1.890	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Nc2nnc(C)s2)c1	919672532	VQFOCMYBHYAKAT-UHFFFAOYSA-N	321.362	1.387	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@H]2CC[C@@H](CN)C2)cc1F	842010601	JUIALATXLRHTDK-ZJUUUORDSA-N	324.356	1.366	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(-c2c[nH]c3ccccc23)[nH]n1	911443242	HABLLPDHMZRQNE-UHFFFAOYSA-N	313.361	1.517	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cccc(C(F)(F)F)c1O	847482599	XUJJTPDJAFJZPM-UHFFFAOYSA-N	302.252	1.972	50	20	DDGD	
COCC1(CC(=O)NNC(=O)Nc2cc(F)cc(F)c2)CC1	843880871	UIWATQKNFMWCNY-UHFFFAOYSA-N	313.304	1.934	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1ccc(CCl)cc1	914384328	RSIABXOPQOTSMM-UHFFFAOYSA-N	305.787	1.280	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1ncccn1	743293351	WGUGPGNIAYLJAF-UHFFFAOYSA-N	306.709	1.213	50	20	DDGD	
O=C(NNC(=S)NCC1CC1)c1cccc(OC(F)F)c1	849256576	JWRPMOGWFZEPSX-UHFFFAOYSA-N	315.345	1.807	50	20	DDGD	
COCCNCCNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	846674139	IJKRMAFHNDKOSR-GMXVVIOVSA-N	319.243	1.292	50	20	DDGD	
CN(C)CCOc1ccc(C=NNC(=O)NCC2CC2)cc1	920828651	PDBXWKLPHGXYKB-UHFFFAOYSA-N	304.394	1.670	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN[C@H]2CCCC[C@H]2C)cc1	921206705	RNOKBFOJBIYLFN-HIFRSBDPSA-N	303.406	1.924	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1ccc(Cl)c(F)c1	843655003	LMVRHKVBUFZACQ-SCZZXKLOSA-N	314.744	1.594	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H](O)CCc2ccccc2)n1	841471529	QABBBHZEFFAUSY-LBPRGKRZSA-N	320.780	1.875	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@@H](NC(C)=O)C(C)(C)C	846638896	HEUUFFQRCDOWQK-CYBMUJFWSA-N	311.357	1.828	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@@]2(C)CCCNC2)cc1	841970523	MRVOYJBXMQOWTM-KRWDZBQOSA-N	318.421	1.583	50	20	DDGD	
Cc1cc(C)n([C@H](C)CC(=O)NNC(=O)NCc2ccco2)n1	920855990	MCIUPJCNUNWBLQ-GFCCVEGCSA-N	319.365	1.575	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)C[C@H](OC)C2	758056517	MUSVWUOZBXZEQX-QMTHXVAHSA-N	305.378	1.999	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CCN(C)[C@H](C)C2)cc(C#N)n1C	753617822	WBXLIIWMJLRQEE-IWTIEGKHSA-N	311.389	1.275	50	20	DDGD	
Cc1cnc(CC(=O)NNC(=O)CCOc2ccccc2)s1	857444131	XOUOZGZYNCGXMU-UHFFFAOYSA-N	319.386	1.611	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2cn(C)nn2)c1	755485877	QYXMJKDRDQWYDJ-UHFFFAOYSA-N	315.377	1.776	50	20	DDGD	
O=C1CN(S(=O)(=O)CCCCl)[C@@H](c2ccccc2)CN1	922053284	GAKCRFATZGJXSU-GFCCVEGCSA-N	316.810	1.118	50	20	DDGD	
C[C@@H](NS(=O)(=O)CBr)c1ccc([N+](=O)[O-])cc1	921365290	JGVTYIWWQFYZPI-SSDOTTSWSA-N	323.168	1.928	50	20	DDGD	
O=C(C[C@H]1CSCCS1)NNC(=O)NC1CCCC1	751757492	VPDLUFGSZURVNE-JTQLQIEISA-N	303.453	1.498	50	20	DDGD	
CC(C)(O)[C@@H](Oc1ccccc1)C(=O)NNC(=O)CC1CC1	854666204	PTZYAQSOAPARAU-AWEZNQCLSA-N	306.362	1.152	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cc2nn[nH]c2cc1F	855089489	SSYISZZPDLNOJW-UHFFFAOYSA-N	322.369	1.006	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1nc(CC(=O)OC)cs1	755420446	JZHLZPDQHOYAMB-ZETCQYMHSA-N	314.367	1.057	50	20	DDGD	
NC[C@@H]1OCC[C@H]1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	852813883	IJNBRESMRSYOEC-KCJUWKMLSA-N	314.729	1.055	50	20	DDGD	
CC(Cn1cncn1)=NNC(=O)[C@H](C)Oc1cccc(Cl)c1	853341586	TZQNBFQUJLVRTM-NSHDSACASA-N	321.768	1.891	50	20	DDGD	
CN(C)CCc1ccc(C(=O)NNC(=O)CC(F)(F)F)cc1	855001079	UBTPEHQNUQIDSA-UHFFFAOYSA-N	317.311	1.504	50	20	DDGD	
O=C(NN=CC1CCOCC1)c1cc(Br)c[nH]1	755617765	QCEWCKVSUOCIKK-UHFFFAOYSA-N	300.156	1.919	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@]1(C)C[C@@H]1Br	856861955	OPMBJSOXZIVHFB-FYLLDIAZSA-N	303.200	1.803	50	20	DDGD	
C[C@]1(CNC(=O)NCc2ccc(O)nn2)C[C@H]1Br	856907669	CWYUWXTUFJQFIT-LDYMZIIASA-N	315.171	1.155	50	20	DDGD	
C[C@@H]1CCCN1C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	752014660	UWWZQHFYMIEOBE-GFCCVEGCSA-N	313.361	1.711	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NN=CC1CCOCC1	853375767	BRZGZMVWTYKWSB-UKRRQHHQSA-N	320.393	1.416	50	20	DDGD	
CC1(C)C[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)C(C)(C)O1	852246113	BKDDMZMCZQNLOP-SNVBAGLBSA-N	324.356	1.511	50	20	DDGD	
Cc1ccc2ncc(C=NNC(=O)Cn3nc(C)cc3C)n2c1	755566593	XBUAOUFHBDIZDS-UHFFFAOYSA-N	310.361	1.606	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2CCN(C(C)(C)C)C2)n1	852466951	YPIMDLBLBPGCMN-LBPRGKRZSA-N	306.414	1.592	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NN=Cc2cncn2C)c1C	755550254	GGLIAPOHSIIPCX-CYBMUJFWSA-N	300.362	1.955	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2cnc(N(C)C)s2)cs1	755543275	VUQRKGNEGVUQHR-UHFFFAOYSA-N	309.420	1.667	50	20	DDGD	
Cc1ncoc1CNC(=O)NNC(=O)CCc1ccccc1	923804846	APGUAYFZNXJDMS-UHFFFAOYSA-N	302.334	1.446	50	20	DDGD	
Cc1c(C(=O)NNC(=S)N[C@@H](C)C2CC2)cnn1CC(C)C	855098924	OFOCWDGRACNUIP-JTQLQIEISA-N	323.466	1.755	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cc(F)c(F)c(O)c1F	755637095	BLCLTSZPDKVZSG-UHFFFAOYSA-N	302.187	1.496	50	20	DDGD	
CCn1c(NNC(=O)[C@@]2(C)CCOC2)nc2ccccc2c1=O	754951751	OEUGIPCPARCLLT-INIZCTEOSA-N	316.361	1.286	50	20	DDGD	
CC[C@@H]1C[C@@H](CC(=O)NNC(=O)OCC(F)(F)F)CCO1	856023129	ZNCBEONZGVGIBJ-DTWKUNHWSA-N	312.288	1.901	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2cccc(Br)c2)co1	759977002	YZHZKFVTRRIXAT-UHFFFAOYSA-N	324.134	1.898	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)N[C@H]2CCOC2)cc1	752703378	IPCZTBQSYSZARY-NSHDSACASA-N	309.391	1.206	50	20	DDGD	
Cc1cnc(COC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)cn1	750122354	BJPNFMNXLJRXPC-CPSFFCFKSA-N	321.340	1.954	50	20	DDGD	
C[C@H](C=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1	756878670	CRMIETJATKHUIT-PWSUYJOCSA-N	312.366	1.466	50	20	DDGD	
COCCCOc1ccc(C(=O)NNc2ncc(F)cn2)cn1	760906681	IRRKXQQKSSRXAV-UHFFFAOYSA-N	321.312	1.183	50	20	DDGD	
CC(C)C1(C(=O)NNc2nc(-c3ccccc3)no2)COC1	932468892	MAPCRKABDNZTRS-UHFFFAOYSA-N	302.334	1.852	50	20	DDGD	
O=C(NNc1ccc(F)c(Cl)c1)[C@@H]1CCCS(=O)(=O)C1	863083119	YBJAJPBKQKFSOL-MRVPVSSYSA-N	320.773	1.747	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@H](C(=O)NNCC(F)(F)C(F)(F)F)C1	863100523	WRPDNLZUCCNFFR-RQJHMYQMSA-N	317.258	1.097	50	20	DDGD	
Cn1c(C(=O)NC[C@]2(C)C[C@H]2Br)cnc1Cl	864072308	HZBHMVIHHFOUJZ-XCBNKYQSSA-N	306.591	1.977	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H]2C[C@H]2c2sccc2C)n[nH]1	869014817	KYJKAFBIVURNFI-VXGBXAGGSA-N	318.402	1.582	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2ccc(C(F)(F)F)nn2)CCC1=O	765201565	SVEHUWOHPLAIBX-HTQZYQBOSA-N	316.283	1.944	50	20	DDGD	
CC(CCCCO)=NNC(=O)COc1ccccc1[N+](=O)[O-]	766688065	STUBXMLCDKZJOS-UHFFFAOYSA-N	309.322	1.628	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NNC(=O)CCc1ccccc1O	862994982	XAAIHBDUBNSAED-ZDUSSCGKSA-N	319.405	1.345	50	20	DDGD	
COCc1ccc(C=NNC(=O)CNc2cccc(OC)c2)o1	764667913	WMQAGFJLBFXVFX-UHFFFAOYSA-N	317.345	1.997	50	20	DDGD	
O=S(=O)(CCl)N1CCN(c2ccc(F)cc2F)CC1	867817576	KBNWWUKMJHQYFK-UHFFFAOYSA-N	310.753	1.613	50	20	DDGD	
Cc1cccc(NNC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)n1	860685162	IOXWTEJJIBWOFC-ZDUSSCGKSA-N	316.365	1.914	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H]2CC(=O)NNC(=O)NC(C)C	760379566	MRISEQOXUOOMHC-JTQLQIEISA-N	307.350	1.300	50	20	DDGD	
Cn1c(C(=O)NNC(=O)OC(C)(C)C)cc(=O)c2ccccc21	864428455	GAMNYFMEKXJVQJ-UHFFFAOYSA-N	317.345	1.708	50	20	DDGD	
CCc1nocc1C(=O)NNC(=O)CNc1ccc(C)cc1C	863855286	VHIUNVUXGWXASH-UHFFFAOYSA-N	316.361	1.727	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNCC(F)(F)C(F)(F)F)s1	863094292	PSCWTDGUXLJELX-UHFFFAOYSA-N	317.239	1.279	50	20	DDGD	
O=C(NNC(=O)c1cnc2[nH]cnc2c1)c1ccc(Cl)nc1	763912886	VKPMVQNWMXKNLM-UHFFFAOYSA-N	316.708	1.081	50	20	DDGD	
COC/C=C/C(=O)NNC(=O)COc1cc(C)ccc1C(C)C	864449127	YSYXDPSMVGGLRS-AATRIKPKSA-N	320.389	1.847	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)CNc2ccccc2)[C@H]1C	863853477	ZWTGFQVBNHLJSN-OHTBPHCPSA-N	305.378	1.305	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCc2ccc(O)cc2)nc1	760925003	UMAFVRQCQMIBLM-UHFFFAOYSA-N	315.329	1.650	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNc1ccccc1S(C)(=O)=O	778378563	CYWNQFJZLRZABD-LLVKDONJSA-N	314.407	1.596	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)CCCN1C(=O)CCC1=O	771692538	DPEOHIMZFKHOMJ-UHFFFAOYSA-N	307.325	1.506	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)CN1CCCC1	873876822	BHSZQDJBYAVPSB-UHFFFAOYSA-N	311.769	1.205	50	20	DDGD	
COC(=O)c1cnc(C2CCN(C(=O)CCl)CC2)s1	1118979118	SENCAHLOUQTOTM-UHFFFAOYSA-N	302.783	1.875	50	20	DDGD	
CC(C)Oc1cccc([C@H](C)NCC(=O)NNC(=O)C2CC2)c1	774992216	PTYSEOQUAJDXNB-LBPRGKRZSA-N	319.405	1.682	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2CCN(C)C2=O)cc1C	873763190	PRVFBEDGUKPLMZ-GFCCVEGCSA-N	320.418	1.099	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc(C(F)F)c1	772090038	JQGVLHUGOQTUBG-MRVPVSSYSA-N	314.288	1.727	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1cccc(C(=O)OC)c1)[C@H]1CCCO1	776234762	MRARTHPNZJBKGY-ZIAGYGMSSA-N	317.345	1.280	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cccnn1)[C@@H]1CCC[C@@H](C)C1	883684474	IKGUIGKBTCNSKX-GRYCIOLGSA-N	305.382	1.635	50	20	DDGD	
C[C@H]1CN(CCCNS(=O)(=O)CCCCl)C[C@@H](C)O1	881774593	XNMAEEXBHXAQHG-TXEJJXNPSA-N	312.863	1.034	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)Cn2cnc3ccccc32)n1	773861733	QSYVCFJWUFAEDO-UHFFFAOYSA-N	317.740	1.205	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	777957280	FAUNEFADFFWSIX-GFCCVEGCSA-N	317.389	1.921	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12	883139790	ADDQDKAZTGEROL-NIFZNCRKSA-N	321.421	1.568	50	20	DDGD	
O=C(NN=CCCc1ccc2c(c1)CCO2)N1CCOCC1	774379858	WHDXQDXEQOZAOL-UHFFFAOYSA-N	303.362	1.582	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)C(=O)Nc1ccc(F)cn1	773665207	XWPSWODTRFENNN-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
Cc1ncc(NC(=O)C(=O)NNc2ccc(C#N)cc2)s1	773697725	VGVAIJPQHOFHFA-UHFFFAOYSA-N	301.331	1.405	50	20	DDGD	
CCS[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1cccnn1	883499395	NGEUUTQFFIUDLR-JQWIXIFHSA-N	323.422	1.485	50	20	DDGD	
CC1CCN(C(=O)C(=O)NNc2nccnc2C(C)C)CC1	772891243	OKDSQMHXCQGCJC-UHFFFAOYSA-N	305.382	1.302	50	20	DDGD	
CC(C)(C)OC(=O)NOCC(=O)NNc1cc(F)ccc1F	885140341	WHMUYQRRHZNYFN-UHFFFAOYSA-N	317.292	1.864	50	20	DDGD	
C#CCCCC(=O)NNC(=O)COc1ccc(OCCC)cc1	887139390	NFCIWLMPSZFFRX-UHFFFAOYSA-N	318.373	1.805	50	20	DDGD	
O=C(NNc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCO2	784784277	VFXODYMFLNFUNC-UHFFFAOYSA-N	317.276	1.636	50	20	DDGD	
Cc1cc(C(=O)NNc2ccnc(F)c2)c2c(O)nn(C)c2n1	781359511	SIDOHDMMPIZTIK-UHFFFAOYSA-N	316.296	1.273	50	20	DDGD	
CN(C)[C@H]1CCCC(=NNC(=O)CNC(=O)c2cccs2)C1	788425621	SGSFISKZCYAWRB-LBPRGKRZSA-N	322.434	1.454	50	20	DDGD	
CC(C)CNC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O	888813748	WHUWHXVGEVBNRC-UHFFFAOYSA-N	317.349	1.178	50	20	DDGD	
CC(C)[C@H](F)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	784145990	YICFWQGBGKYWRO-CABZTGNLSA-N	300.305	1.735	50	20	DDGD	
CCc1noc(CCCC(=O)NNc2cccc(OC)n2)n1	780773375	VHCXTLOJDGMDID-UHFFFAOYSA-N	305.338	1.502	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NC[C@H]2CCCCS2)cc1	784252727	ZEIOQDIVSFLOKP-CYBMUJFWSA-N	318.402	1.788	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C)[C@@H](C)O	789940020	VPDWDVTZERMCEO-MCIONIFRSA-N	322.405	1.625	50	20	DDGD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC=C(C#N)CC2)c1	780689142	UXPDVQAXXDTMPX-UHFFFAOYSA-N	321.358	1.060	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)ccn1	789870494	CAMDONNWYJHWJM-LLVKDONJSA-N	317.320	1.758	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H](O)c1ccccc1C(F)(F)F	899946526	CYHMSEHTPYLGKV-JTQLQIEISA-N	304.268	1.542	50	20	DDGD	
C[C@H](OC[C@@H]1CCCCO1)C(=O)NNC(=S)NC(C)(C)C	899995298	LRHXLIZXVLWELS-QWRGUYRKSA-N	317.455	1.254	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C[C@H]1C(=O)Nc2c(F)cccc21	894255636	RITJRFKSUWPMEV-SNVBAGLBSA-N	321.352	1.835	50	20	DDGD	
C[C@H]1CCC[C@@H](OCC(=O)NNC(=S)NC(C)(C)C)C1	899994820	ASWXIKXKBJDDPE-WDEREUQCSA-N	301.456	1.876	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)Cc1cn2ccccc2n1	793600098	QLQBBSJOXUYUEZ-ABAIWWIYSA-N	318.377	1.085	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2ccc(Cl)cc2F)C(=O)O1	896380592	IUHPSJRLIVTNDL-LHLIQPBNSA-N	301.705	1.809	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)C(C)(C)C)C[C@]2(CCCOC2)O1	796548991	FDPXBEFTTOKKOU-NHYWBVRUSA-N	313.398	1.043	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=C1CCCc2nn(C)cc21	794478414	NWYHGEJYJBJZOY-ZDUSSCGKSA-N	317.437	1.699	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)COc1ccccc1C=O	899995364	OGNRIFGBMXIDKE-UHFFFAOYSA-N	309.391	1.172	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)Cc2cnn(C)c2C)c1	794212831	VFBDPCOPIDFDRC-UHFFFAOYSA-N	317.418	1.597	50	20	DDGD	
COc1ccccc1CONC(=O)NNc1ncncc1Cl	798560512	QIIIZTMJLNJAGQ-UHFFFAOYSA-N	323.740	1.897	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)c1cn2c(n1)CCCC2	799839159	MDZCBERMSLOJKS-UHFFFAOYSA-N	324.344	1.625	50	20	DDGD	
Cn1cc(CC(=O)NNc2nc3ccccn3n2)c2ccccc21	791243109	MNZHVKCHEUTTDQ-UHFFFAOYSA-N	320.356	1.907	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1ccc(Cl)nn1	798154114	XDGSRNAVYGXYKH-UHFFFAOYSA-N	308.700	1.273	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)C[C@@H]2CCCOC2)n1	793228112	YIVUAOUMPASLIG-LBPRGKRZSA-N	306.366	1.103	50	20	DDGD	
Cc1ccsc1CCNC(=O)NNc1nc2ccccn2n1	790451187	LPOBHSKGLFUZLN-UHFFFAOYSA-N	316.390	1.968	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCc2cnc[nH]2)c2ccccc2n1	799006948	OAHGMKVBLAONSB-UHFFFAOYSA-N	323.356	1.660	50	20	DDGD	
O=C(CO[C@@H]1CCOC1)NNC(=O)c1ccc(Cl)cc1F	1318986344	JYGSZHQYXPCKOV-SECBINFHSA-N	316.716	1.046	50	20	DDGD	
CCCOc1cc(C=NNC(=O)C[N+](C)(C)C)ccc1OC	1317712698	PIFMQSQZBNZMSH-UHFFFAOYSA-O	308.402	1.640	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2nncc(N)c2Cl)CS1	1325275861	WLKODUHFQYINGC-NTSWFWBYSA-N	302.791	1.232	50	20	DDGD	
C[C@@H]1CCC[C@@H](CNC(=O)NNC(=O)C2CCNCC2)[C@@H]1C	1325324627	RNONMUJHCXEMAJ-BZPMIXESSA-N	310.442	1.389	50	20	DDGD	
O=C(NNc1cncc(Br)c1)[C@H](O)c1cccnc1	1327890327	NLLWROPZSGHYGV-LLVKDONJSA-N	323.150	1.416	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccnn1-c1ccccc1	1321173391	LUOFTRBVKYRFMB-UHFFFAOYSA-N	303.391	1.390	50	20	DDGD	
N#CCOc1ccc(NC(=O)NNC(=O)c2ccccn2)cc1	1325340471	ZAFKECGJTMIGOG-UHFFFAOYSA-N	311.301	1.450	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H](C)c1oc2ccccc2c1C	1323434337	TUQPRTDFCSAPSJ-VIFPVBQESA-N	319.317	1.306	50	20	DDGD	
CCOc1ccc(C=NNC(=O)C2CCOCC2)cc1OC	1333215329	NYUWYAPYNLJLKI-UHFFFAOYSA-N	306.362	1.971	50	20	DDGD	
CN[C@H](C)CCNC(=O)NNc1ccc(F)c(C(=O)OC)c1	1331454686	AFJUGQJSGOUQOX-SECBINFHSA-N	312.345	1.236	50	20	DDGD	
CCN(CCO)NC(=O)c1cccc(Br)c1O	1336010531	HLILUQWMZRRYFJ-UHFFFAOYSA-N	303.156	1.114	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H](C)Cc1ccc(C#N)cc1	1332861195	HRMAEJWYJLYEQW-NSHDSACASA-N	304.419	1.641	50	20	DDGD	
COc1ccnc(NNC(=O)c2cn(C)cc2C(F)(F)F)n1	1337567282	SMFKASPOSLQDPZ-UHFFFAOYSA-N	315.255	1.599	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2cnoc2C2CC2)c1	1341831509	AOPZGRWEGVJBFX-UHFFFAOYSA-N	321.358	1.712	50	20	DDGD	
O=C(NCCCC(F)F)NNc1ccc(-n2ccnc2)nn1	1341401088	BWGCFUQDFARHMI-UHFFFAOYSA-N	311.296	1.334	50	20	DDGD	
CN(NC(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1)C1CC1	1520253821	GYKAYZXRSVSSTP-UHFFFAOYSA-N	304.325	1.434	50	20	DDGD	
Cc1ccc(C(=O)NNc2cccc(C(=O)O)c2F)c(O)n1	1600342320	PNVLVSQHSGRVAB-UHFFFAOYSA-N	305.265	1.690	50	20	DDGD	
Cc1c(C(=O)O)cc(C=NNC(=O)Cc2ccccc2F)n1C	1607511049	JSONIDCIMOCJKL-UHFFFAOYSA-N	317.320	1.864	50	20	DDGD	
COc1cccc(NNC(=O)NCC2(C(=O)O)CCCCC2)n1	1607325720	FXUBPLDCVPMNOC-UHFFFAOYSA-N	322.365	1.751	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1602941934	PFFGEQMEJFXKIK-SKDRFNHKSA-N	307.258	1.790	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1c(F)cccc1Br	1602072163	UEKXDYJDOVPLDY-UHFFFAOYSA-N	318.102	1.306	50	20	DDGD	
Cc1ccc(NNC(=O)c2cnc3n2CCCC3)cc1C(=O)O	1600461210	DIJZRJLYGUVNIN-UHFFFAOYSA-N	314.345	1.983	50	20	DDGD	
CCOc1cccc(CC(=O)NNc2cccc(C(=O)O)c2)n1	1605705138	GLQXNQHYNPNIRD-UHFFFAOYSA-N	315.329	1.864	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NNc1ccc(F)c(C(=O)O)c1	1609846844	VMVVKRYQSDNZOO-NXEZZACHSA-N	309.341	1.840	50	20	DDGD	
CCc1oc(/C=C(/C#N)C(=O)N[C@@H](C)COC)cc1C(=O)O	1605889705	XXTPSHBYIKQHLZ-QFQXNISHSA-N	306.318	1.598	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1	1602128945	HIOHUNMBCDNCHX-UHFFFAOYSA-N	315.285	1.979	50	20	DDGD	
C/C(=C\CNC(=O)NC[C@]1(C)C[C@@H]1Br)C(=O)O	1602971400	ADIKEZRKDQQIFI-LSFGNVRWSA-N	305.172	1.490	50	20	DDGD	
C[C@@]1(CCC(=O)NNc2cccc(C(=O)O)c2F)CCC(=O)N1	1604570221	ARDFUJDSTLJIMR-HNNXBMFYSA-N	323.324	1.416	50	20	DDGD	
Cc1cc(C=NNC(=O)NCC(=O)O)c(C)n1Cc1ccco1	1610459988	ZSJGOYULPBKQHN-UHFFFAOYSA-N	318.333	1.464	50	20	DDGD	
CCn1c(C)cc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)c1C	1549317519	LUWRNZXATFLTNQ-JKSUJKDBSA-N	318.421	1.438	50	20	DDGD	
COc1ccc(NNC(=O)c2c(C)coc2CC(=O)O)cc1	1610342698	NZEUFNYFYPIRIJ-UHFFFAOYSA-N	304.302	1.981	50	20	DDGD	
CO[C@H](C(=O)O)C(=O)NNc1nc2ccc(Cl)cc2s1	1574105660	PURAJFMYUBFPAV-QMMMGPOBSA-N	315.738	1.492	50	20	DDGD	
CCCN[C@H](C)C(=O)NNC(=S)Nc1ccccc1OC	1577554705	MBSMMDSTEABZRF-SNVBAGLBSA-N	310.423	1.401	50	20	DDGD	
CC(C)[C@H](C(=O)O)C(=O)NNc1cccc(C(F)(F)F)n1	1588807960	GPRZPYBFMZJWIK-VIFPVBQESA-N	305.256	1.900	50	20	DDGD	
CCC(CC)(CNC(=O)NNc1ncc(Cl)cn1)C(=O)O	1589497702	QVJZUGFDLUKDJP-UHFFFAOYSA-N	315.761	1.647	50	20	DDGD	
C/C=C(\C)C(=O)N1CC2(CCCN2C(=O)[C@H](Cl)COC)C1	1846364185	BREZUDCXROJWHS-KBVBDRTLSA-N	314.813	1.410	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccncn1)[C@@H]1C[C@H](C(=O)O)C1(C)C	1589108283	JEHDPCQBCJKFCS-KXUCPTDWSA-N	307.354	1.238	50	20	DDGD	
NCC[C@H](NS(=O)(=O)c1ccc(CCl)cc1)C(F)F	1580284744	QPISOQXBDMGCKX-JTQLQIEISA-N	312.769	1.686	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1coc(-c2nn[nH]n2)c1	1582562455	ITMDMAZRKOYQLE-UHFFFAOYSA-N	315.249	1.125	50	20	DDGD	
Cc1[nH]ccc1C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1843546905	OSEYNCUFSSGINL-NSHDSACASA-N	313.760	1.675	50	20	DDGD	
COc1ccc(O)c(C(=O)NNc2cccc(C(=O)O)c2F)c1	1599598039	CHNNVSASZVRULL-UHFFFAOYSA-N	320.276	1.995	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)c1cc(-c2nn[nH]n2)c[nH]1	1593163942	NTAWLVSTYDCUSS-UHFFFAOYSA-N	304.701	1.000	50	20	DDGD	
CCOc1cc(C=NNC(=O)C(=O)O)ccc1OCC(C)C	1597031918	BOAVNJFLVPKNTJ-UHFFFAOYSA-N	308.334	1.655	50	20	DDGD	
C[C@H](Oc1ccc(C=NNC(=O)c2ncccn2)cc1)C(=O)O	1776081585	VODFEZOGYLKKFW-JTQLQIEISA-N	314.301	1.092	50	20	DDGD	
O=C1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](F)Cl)C1	1796810898	HSRBEFPTBLJHTE-DTHBNOIPSA-N	316.760	1.138	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COC	1795596755	OHUKXDQSRJTARA-YVECIDJPSA-N	316.829	1.679	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(c2cccc(OC)c2)CC1	158578575	NEIWWNSESOITQZ-YPKPFQOOSA-N	315.373	1.788	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(C)n(C(C)(C)C)n2)[nH]n1	151213686	KLGSQSTTWPUIBR-UHFFFAOYSA-N	304.354	1.053	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@H]1CCC[C@H]2OCC[C@H]12	151684274	IVUJTKNJRCFTFZ-KXUCPTDWSA-N	311.773	1.714	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@]1(O)CCSC1)c1ccccc1	153886720	LXCFAAXUNUKBMN-DOMZBBRYSA-N	308.403	1.196	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccccc1OCC(F)F	156209987	CETDWDLJIKDNPZ-UHFFFAOYSA-N	316.308	1.045	50	20	DDGD	
O=C(CCC(=O)c1ccccc1)NNc1ncnc2nc[nH]c12	156298529	BSAIULGVYGREFD-UHFFFAOYSA-N	310.317	1.459	50	20	DDGD	
CCOCCO[C@H]1CCN(S(=O)(=O)CCCCCl)C1	154796462	VKWASTBHIWHGEO-LBPRGKRZSA-N	313.847	1.463	50	20	DDGD	
COc1ccc(NNC(=O)c2cccnc2N2CCCC2)nc1	159082090	WQFIIILRLQSNDB-UHFFFAOYSA-N	313.361	1.842	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1cc(C(=O)OC)c(C)o1	209227674	KYEBAFUORXRNEL-WQLSENKSSA-N	320.345	1.824	50	20	DDGD	
COC[C@](C)(O)CNS(=O)(=O)c1ccc(CCl)cc1	394595468	JZCVWQYPOVWMNF-GFCCVEGCSA-N	307.799	1.101	50	20	DDGD	
COCCN1CCN(C[C@@H](CBr)C2CC2)CC1	859072252	YZOBBISWBWZQIA-CYBMUJFWSA-N	305.260	1.672	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)N(C)NC(=O)OCc1ccccc1	862287638	WITAIQAVHPJCIP-LLVKDONJSA-N	307.350	1.201	50	20	DDGD	
Cc1ccc(NNC(=O)NC2CC(C)(C)NC(C)(C)C2)nn1	106257488	YONHGDJJLTYJBN-UHFFFAOYSA-N	306.414	1.720	50	20	DDGD	
C#CCCCNC(=O)NNC(=O)c1ccc(Cl)cc1OC	174083494	TVBVOLBJDHDGEF-UHFFFAOYSA-N	309.753	1.706	50	20	DDGD	
O=C(C[C@@H]1OCCc2ccccc21)NNC(=O)NCC1CC1	115346285	DCQMPWXHTMVXCR-AWEZNQCLSA-N	303.362	1.431	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2cccc(F)c2)c1	22629870	PXGFLJILUYDQEI-UHFFFAOYSA-N	301.321	1.967	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)c2ccc(C)cc2O)cc1	24460434	AKEFLNBYPIDLPX-UHFFFAOYSA-N	314.341	1.713	50	20	DDGD	
O=C(CCc1ccc(F)cc1)NNC(=O)NCC(F)(F)F	60415215	GYMIMMORTVIWIJ-UHFFFAOYSA-N	307.247	1.651	50	20	DDGD	
COc1ccnc(NNC(=O)C[C@H]2OCCc3ccccc32)n1	115330393	MRDZSWJGBDGOMQ-CYBMUJFWSA-N	314.345	1.632	50	20	DDGD	
C[C@@H](Oc1cccnc1)C(=O)NNC(=O)CCc1ccccc1	117639947	DQOLHXFZDIBFEJ-CYBMUJFWSA-N	313.357	1.629	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCCCO3)o1	175825573	XRQGADRTCJVXPT-UHFFFAOYSA-N	316.313	1.824	50	20	DDGD	
O=C(CCn1ccc2ccccc21)NNC(=O)NCC1CC1	65193183	IXZJBVAZHFYJKO-UHFFFAOYSA-N	300.362	1.772	50	20	DDGD	
C=CCNC(=S)NNC(=O)CSCc1c(C)noc1C	66276778	QQLWTKVMPOAIHC-UHFFFAOYSA-N	314.436	1.206	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cnc3ccccc3n2)cc1	61465491	PHLWNXAHCMLLHB-UHFFFAOYSA-N	317.308	1.576	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNC(=O)NCc2ccco2)cn1	65176040	PLIRQMDYRJSRBS-UHFFFAOYSA-N	318.333	1.606	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)N1CCOCC1)c1ccccc1F	171207424	WMZGTVDONXRZGC-NSHDSACASA-N	309.341	1.392	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)COc2ccccc2F)on1	64230787	PXUCFKDSIQKRGG-UHFFFAOYSA-N	322.296	1.032	50	20	DDGD	
O=C(NC[C@@H]1CC=CCC1)NNc1ccc(-n2cccn2)nn1	69240187	MOWWIHCRDBYVCV-GFCCVEGCSA-N	313.365	1.645	50	20	DDGD	
O=C1COc2cc(C(=O)NNc3ccnc(F)c3)ccc2N1	182475058	IVOQNXTVCSMVAD-UHFFFAOYSA-N	302.265	1.309	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cc(F)ccc1[N+](=O)[O-]	77710343	WCWHUAVOZPLNAT-ZETCQYMHSA-N	319.314	1.090	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCc2ccnn2C)cc1	186764297	KWFXFMOKJKRQTO-UHFFFAOYSA-N	315.377	1.169	50	20	DDGD	
CCc1c(C(=O)NN(C)C(N)=O)cnn1-c1cccc(Cl)c1	181064640	JDIAVWFEFQCEPD-UHFFFAOYSA-N	321.768	1.743	50	20	DDGD	
CCCCS[C@@H](C)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	79796926	NXFUBCGAWNWYGH-RYUDHWBXSA-N	322.496	1.401	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1ccc(-n2cccn2)nc1	183984141	SQBOFFMSQZJSKD-UHFFFAOYSA-N	316.365	1.856	50	20	DDGD	
Cc1ncc(C(=O)NNc2nc(-c3ccccc3)no2)c(C)n1	180367240	NVIAIGIGGXGKRA-UHFFFAOYSA-N	310.317	1.900	50	20	DDGD	
CSCC[C@@H](C)NC(=O)NNC(=O)Cc1ccc(F)cc1	77802498	FOOMWVCQJJEWKI-SNVBAGLBSA-N	313.398	1.840	50	20	DDGD	
Cn1ccnc(NC(=O)NNc2nc3ccccc3s2)c1=O	183827828	FHSBPGNBZRYGBC-UHFFFAOYSA-N	316.346	1.539	50	20	DDGD	
CCc1ccc([C@@H](C)NC(=O)NNC(=O)[C@@H]2CCCO2)cc1	79219160	VTXKIQLJZZVLBP-RISCZKNCSA-N	305.378	1.819	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](C)Cc1cccc(F)c1	132177575	CRALWYZYIFEOAO-JTQLQIEISA-N	304.325	1.946	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C1(c2ccccc2F)CC1	134872998	DCXPZAJDDMXFKM-UHFFFAOYSA-N	302.309	1.350	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H](C)c1c(F)cccc1F	134448078	KAWRVFOMJUAHSL-VIFPVBQESA-N	315.320	1.435	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CSCCS1)c1cccc(Cl)c1	193263047	VEPITRVLGMVPMF-JTQLQIEISA-N	316.835	1.950	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CC[C@H]1CCCO1	46141654	JLAHQKHWHAEBNM-NWDGAFQWSA-N	324.352	1.700	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCc2cccc(F)c2)o1	84140952	GQSNYXXRVZXGQZ-UHFFFAOYSA-N	305.309	1.914	50	20	DDGD	
COCc1ccc(NC(=O)NNC(=O)c2cccnc2)cc1	192506111	KBQCRNUDIDVSGT-UHFFFAOYSA-N	300.318	1.695	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnc2c(c1)c(C)nn2C	142594493	FZEFWUAMULKMAF-UHFFFAOYSA-N	304.354	1.021	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccc3c(c2)CCO3)s1	148842921	JSVHWGLQHVABPO-UHFFFAOYSA-N	316.382	1.995	50	20	DDGD	
O=C(NNC(=O)c1ncccc1Br)c1ccc[nH]1	195063926	BWRYJKKPTUKTCP-UHFFFAOYSA-N	309.123	1.247	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ncccc1Br	194528658	YORVULVWLPQRFK-UHFFFAOYSA-N	315.196	1.139	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccc(F)cc2C1)c1ccc[nH]1	90090740	BKTYUAZXPKBCNU-JTQLQIEISA-N	303.293	1.166	50	20	DDGD	
O=C(COc1ccc(F)cc1)NN=Cc1ccc([N+](=O)[O-])o1	254844205	HLFPVVBGCYGQKS-UHFFFAOYSA-N	307.237	1.856	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNC(=O)C(C)(C)c1ccccc1	264636311	MZJVHRVLSJJRAK-VAWYXSNFSA-N	301.346	1.556	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCCN(C)C1CC1	264852725	LZTSFELRFJHRSP-UHFFFAOYSA-N	305.382	1.425	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@@H](C)c1cnn(C)c1	266598602	ZTTKRSAFCDBTOH-NSHDSACASA-N	316.365	1.825	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccc(N(C)C)nc2)nn1	264394417	ORCUYKTVSCFTMA-UHFFFAOYSA-N	301.354	1.072	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1	272716728	YZDGIDXIXIXOTD-UHFFFAOYSA-N	316.264	1.379	50	20	DDGD	
CNC(=O)COc1ccc(NC(=O)NNC(=O)C(C)(C)C)cc1	271400029	MKDWNQKDSCLIMI-UHFFFAOYSA-N	322.365	1.010	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@@]1(O)CCSC1	279956823	XYHUKSCQHIPXMA-LLVKDONJSA-N	301.299	1.045	50	20	DDGD	
CC(C)(CCCO)CNC(=O)NNc1cncc(Cl)n1	271390610	CIOPMMOYUXTESL-UHFFFAOYSA-N	301.778	1.555	50	20	DDGD	
COc1cccc(F)c1C(=O)NNC(=S)NCCSC	271391555	IXMHSLJAZGNBEQ-UHFFFAOYSA-N	317.411	1.306	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1	278483544	GCNHUOOMZIXXGY-NSHDSACASA-N	305.382	1.416	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@@H](O)CCc1ccccc1	271093254	UZPCSXKYVGENOL-AWEZNQCLSA-N	317.345	1.104	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccccc1OCCC(N)=O	273484732	MCZGEYWTXBOIOU-UHFFFAOYSA-N	322.365	1.140	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCS(=O)(=O)c2ccccc2C1	274900751	GVRAAVFGXKKUHR-ACCUITESSA-N	320.370	1.246	50	20	DDGD	
CN(C)C1(CNC(=O)NNc2ncnc3ccsc23)CCC1	275519585	VCFHRRWPIXUTHB-UHFFFAOYSA-N	320.422	1.802	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)C(=O)Nc2ccn(C(C)C)n2)c1	281080245	RODBRJGJVAMSIT-UHFFFAOYSA-N	319.340	1.993	50	20	DDGD	
COc1cc(C)sc1C(=O)NNC(=O)NCC(F)(F)F	281415357	ZMHYPUZKTGIIED-UHFFFAOYSA-N	311.285	1.571	50	20	DDGD	
CSSCCNC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1	376876902	XFBBRLVUBHEMPH-PWSUYJOCSA-N	306.453	1.635	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H]1C(=O)NNc1cccc(F)c1[N+](=O)[O-]	286947871	FOHYZGVLLSLOLU-HTQZYQBOSA-N	311.269	1.376	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ccccc2Cl)CCC1	281142630	JMTIPRXQKSYBOP-UHFFFAOYSA-N	302.783	1.750	50	20	DDGD	
O=C(CCc1cccc(F)c1F)NNC(=O)[C@@H]1CCCCO1	295625616	RYFYDOZGUCIXGK-LBPRGKRZSA-N	312.316	1.614	50	20	DDGD	
CCc1ccc([C@H](C)C(=O)NNC(=O)N2CCN(C)CC2)cc1	807380206	CZPZTUKQKZYJQY-ZDUSSCGKSA-N	318.421	1.341	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)COC)c2ccccc21	802712250	IWSHULGAYCPFBU-ZDUSSCGKSA-N	304.346	1.594	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1ncn(C(C)(C)C)n1	291880940	IYQPTRACCBCGSP-UHFFFAOYSA-N	316.365	1.808	50	20	DDGD	
CSc1cccc(F)c1C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	293773588	AXQRKFNWFFWDIM-WPRPVWTQSA-N	312.366	1.876	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1c(F)ccc(O)c1F	809792219	MOYVCEVVHREZHE-UHFFFAOYSA-N	300.652	1.871	50	20	DDGD	
CCc1ncsc1NC(=O)C(=O)NNc1cccc(F)n1	807391790	KRBQPGXFEMJMOD-UHFFFAOYSA-N	309.326	1.321	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)COCc2ccccc2)nn1	807972912	WICQIJAEEQFTGB-UHFFFAOYSA-N	301.350	1.526	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cccnc1F	806561354	USWOOKXBGLMTCP-UHFFFAOYSA-N	303.293	1.233	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)CCc2cccc(N(C)C)c2)O1	293822888	FNXKLNRNXVLDDX-WFASDCNBSA-N	319.405	1.400	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)c(C)c1	290448221	CJJWGCALKZUACM-UHFFFAOYSA-N	312.269	1.563	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCOC[C@@H](O)C2)cc1	296264980	PJUFMTYIPCDQRC-HNRFISLBSA-N	316.357	1.212	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccc(F)cc2)CC1)[C@H]1CCCCO1	295593994	PJFMOSPXRJCJOX-CQSZACIVSA-N	320.364	1.865	50	20	DDGD	
CCc1noc(NC(=O)NNC(=O)CCCc2ccccc2)n1	296732897	LFAGQYWZBQDHAK-UHFFFAOYSA-N	317.349	1.808	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)N(C)C)c1OC(F)F	299333791	CQPKXSLGVMRGML-UHFFFAOYSA-N	303.265	1.213	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)N=c1cc[nH]cc1)c1cccc(F)c1	802025650	LMXVBJJZDGJLKS-NSHDSACASA-N	316.336	1.989	50	20	DDGD	
CC(C)(C)[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(C=O)c[nH]1	294938520	PGAIQSAUXPCVQN-JQWIXIFHSA-N	307.350	1.039	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)CSC(F)F)c1	299246407	MSZBVNLYSZEXKE-UHFFFAOYSA-N	318.345	1.785	50	20	DDGD	
COc1cccc(NNC(=O)NCCCCCN2CCCC2)n1	296943293	PSDPGQQXKYPIHP-UHFFFAOYSA-N	321.425	1.982	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CCc2cncn2C)ccc1C	816687714	LTBURESWJXCJDJ-UHFFFAOYSA-N	316.361	1.591	50	20	DDGD	
CC(=NNC(=O)N=c1cc[nH]cc1)c1cc(F)c(N)c(F)c1	815000982	WLYGPVPPAWWKBS-UHFFFAOYSA-N	305.288	1.910	50	20	DDGD	
Cn1ncc(Br)c1C=NNC(=O)N=c1cc[nH]cc1	815000821	PUYISNFRTYJULR-UHFFFAOYSA-N	323.154	1.155	50	20	DDGD	
Cn1ccc(CCC(=O)NNC(=O)Nc2ccc(Cl)cc2)n1	816595325	JWLCDKSIWMCOFG-UHFFFAOYSA-N	321.768	1.859	50	20	DDGD	
Cc1cccnc1NNC(=O)NC[C@H]1CC[C@H](C(N)=O)CC1	817176378	FLKMWKJTOXJMAH-HAQNSBGRSA-N	305.382	1.308	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CC[C@H](C(=O)O)C2)cc1	818240115	VVULZPLUSMPCCI-FYQHACEVSA-N	314.341	1.925	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2cnn(C)c2N)c2ccccc2n1	814714235	XTEOJDIZVQOXPS-UHFFFAOYSA-N	308.345	1.623	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cscc1C(F)(F)F	811636559	IZXWYCMAJBFKBD-UHFFFAOYSA-N	307.297	1.742	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)C(=O)Nc1ccc(F)cn1	815728417	BWWIZFAWNUJSAO-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
CN(NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)C1CC1	819642975	UKBAHSMCWZLABP-JTQLQIEISA-N	307.781	1.818	50	20	DDGD	
Cn1nc(CC(=O)NNC(=O)NC2CCCC2)c2ccccc21	817523588	DSKXOXSDWOINHG-UHFFFAOYSA-N	315.377	1.389	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=C1CCC[C@@H](C#N)C1	814766897	SRGARABSWJMUCX-GBJTYRQASA-N	320.437	1.918	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2ncncc2F)c2ccccc21	817082131	OEPQHRORRPZNAH-LLVKDONJSA-N	301.325	1.683	50	20	DDGD	
CCOc1ccc(NNC(=O)C[C@H]2CCS(=O)(=O)C2)cc1	817882448	ODNDZCAKSGLMQG-LLVKDONJSA-N	312.391	1.353	50	20	DDGD	
CCOc1ccc2c(c1)C(=NNC(=O)C(=O)NC(C)C)CCO2	814776781	JINGDZACIIRGHU-UHFFFAOYSA-N	319.361	1.213	50	20	DDGD	
COC(=O)CCCC(=O)NNc1ccc(C)c(C(=O)OC)c1	816690437	RHCTZSVIYXMAEZ-UHFFFAOYSA-N	308.334	1.568	50	20	DDGD	
O=C(NN=C1CCN(CCC(F)(F)F)CC1)c1ccnnc1	817340759	SQOCXOOGCZOTLX-UHFFFAOYSA-N	315.299	1.611	50	20	DDGD	
Cc1csc(CC(=O)NN=C2CC[C@H](C(=O)O)[C@H](C)C2)n1	814778985	BBWOQCISWAFMME-KCJUWKMLSA-N	309.391	1.987	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H](C)SC)cn1	729691839	CREMELHTBYAQIU-SSDOTTSWSA-N	300.409	1.159	50	20	DDGD	
O=C(C[C@@H]1CC[C@H]2C[C@@H]12)NNC(=O)c1cccc([N+](=O)[O-])c1	822121685	KEPPBRXBXNHGQZ-OUJBWJOFSA-N	303.318	1.792	50	20	DDGD	
CC(C)(C=NNC(=O)Cc1cc[nH]n1)NC(=O)OC(C)(C)C	495595772	QARIUJCJNPYHHG-UHFFFAOYSA-N	309.370	1.358	50	20	DDGD	
O=C(CCc1ccon1)NNC(=S)NCCc1cccs1	820177322	YZOCUUYKNCTHAP-UHFFFAOYSA-N	324.431	1.407	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)o2)cc1	825164332	RDTOBEZYBMUPBP-UHFFFAOYSA-N	321.720	1.641	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCC[C@]2(O)C[C@H]3CC[C@H]2C3)cn1	490974745	OBRGQTSPXRTGAQ-GICRMGRCSA-N	314.389	1.384	50	20	DDGD	
C[C@@H](CNS(=O)(=O)c1ccc(CCCl)cc1)C(=O)O	827508011	SKEZNUPAABQSBE-VIFPVBQESA-N	305.783	1.467	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)C1CCC=CCC1	820520742	PQRMDCNBBZTHIV-UHFFFAOYSA-N	312.373	1.771	50	20	DDGD	
CCN(CCO)NC(=O)c1coc(-c2ccccc2Cl)n1	823873508	BZZGMMGXHQXGOP-UHFFFAOYSA-N	309.753	1.954	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1cc2n(n1)CCCC2	829344845	DDLXJMCKBDXPIV-UHFFFAOYSA-N	308.345	1.920	50	20	DDGD	
C[C@H](C=NNC(=O)[C@@H]1CCCCO1)CNC(=O)OC(C)(C)C	497092064	HSUDYBCGWHXIGO-RYUDHWBXSA-N	313.398	1.818	50	20	DDGD	
COCn1ccc(C(=O)NNC(=O)C(C)(C)c2ccccc2)n1	826926646	JJFQPGWRBOHXSJ-UHFFFAOYSA-N	316.361	1.226	50	20	DDGD	
CCO[C@H]1C[C@H](N(C)CC(=O)NNC(=O)C(C)C)C12CCC2	828058773	FDJOARXJDGPDPC-STQMWFEESA-N	311.426	1.069	50	20	DDGD	
COCCCNC(=O)NN=CCCNC(=O)OC(C)(C)C	493755230	JMQWEQNPAOKGJD-UHFFFAOYSA-N	302.375	1.223	50	20	DDGD	
O=C(/C=C\Sc1ccccc1)NNC(=O)N=c1cc[nH]cc1	493426172	GCRHFEGQKKMMBH-FLIBITNWSA-N	314.370	1.962	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cn3ccccc3n2)c1	728828400	VYKXFFCOGYDASN-UHFFFAOYSA-N	305.297	1.281	50	20	DDGD	
CC(C)[C@H](c1ccccc1)N(C)C(=O)c1ccc(B(O)O)cc1	584944198	JHCZMERSLZHRMU-QGZVFWFLSA-N	311.190	1.836	50	20	DDGD	
COc1cc(CCC(=O)NNc2oc(C(C)C)nc2C#N)on1	824639544	LYDKYWKBMYMYDS-UHFFFAOYSA-N	319.321	1.742	50	20	DDGD	
CCCOC1CCC(CC(=O)Nc2cccc(B(O)O)c2)CC1	584910300	AJRRRIAGVRFZSD-UHFFFAOYSA-N	319.210	1.680	50	20	DDGD	
Cc1cccc(OC[C@@H](C)NCc2ccc(B(O)O)cc2F)c1	585018330	JVLIKCWGCSIIQQ-CYBMUJFWSA-N	317.169	1.371	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cccc(CSC)c1	495449633	YAURIQLOSORLGS-UHFFFAOYSA-N	311.363	1.265	50	20	DDGD	
CCn1cc(C=NNC(=O)CNc2ccccc2F)c(C)n1	901130292	MECAQGNRYMHSGW-UHFFFAOYSA-N	303.341	1.913	50	20	DDGD	
COC(=O)c1cnc([C@H](C)NC(=O)NNc2ccncn2)s1	823899395	RZHKNFMIMNONIM-ZETCQYMHSA-N	322.350	1.107	50	20	DDGD	
COc1ccc(-c2ccncc2)cc1CN1CC[C@@H](B(O)O)C1	585076697	PKQGTJQPTSXONA-MRXNPFEDSA-N	312.178	1.806	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)NNC(=O)c1ccc(Cl)cc1	905053500	DFSCXBNNXUWZDV-LLVKDONJSA-N	309.753	1.112	50	20	DDGD	
Cc1ccncc1/C=C/C(=O)NNC(=O)c1cccc(N(C)C)c1	492431136	ZROBSNBINZPSHM-BQYQJAHWSA-N	324.384	1.930	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)NNc1ccc(F)cc1)C2	496930363	XJGBFZOBOPEFRN-GDLCADMTSA-N	319.336	1.912	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(S)n1)c1ccccc1	730585254	BBAKVSHZPCBDME-UHFFFAOYSA-N	302.359	1.554	50	20	DDGD	
CCOc1ccc(Cl)cc1CCNCc1ccc(B(O)O)o1	585031627	IJDIDAGAXPOCFE-UHFFFAOYSA-N	323.585	1.344	50	20	DDGD	
C[C@H]1C[C@H](C)CN(S(=O)(=O)NN(C)C(=O)OC(C)(C)C)C1	496254748	LJIMVDOMYMSSAR-QWRGUYRKSA-N	321.443	1.581	50	20	DDGD	
O=C(NN=Cc1ccc(O[C@@H]2CCOC2)cc1)c1ncon1	901287633	VKUIXTUOFPVCDK-GFCCVEGCSA-N	302.290	1.001	50	20	DDGD	
CC(C)Cc1ccc(CCC(=O)N2CC[C@@H](B(O)O)C2)cc1	585063549	BURIQYMDYZXRQS-MRXNPFEDSA-N	303.211	1.893	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C[C@@H]2CCOC2)c1	739676258	QPXAEZVRAOPWBW-ZDUSSCGKSA-N	306.362	1.256	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C	496868288	YVANGQQUSVJQHV-VXGBXAGGSA-N	315.414	1.289	50	20	DDGD	
CO[C@H]1C[C@H](NCC(=O)NNC(=O)c2cccc(C)c2)C1(C)C	831338486	IYLZXXOVUKPDLC-KBPBESRZSA-N	319.405	1.159	50	20	DDGD	
COC(=O)[C@H](NS(=O)(=O)CCl)c1ccc(OC)cc1	830395692	VMWWPIRNVCLRQJ-SNVBAGLBSA-N	307.755	1.025	50	20	DDGD	
CC(C)COc1ccccc1C=NNC(=O)C(=O)NC1CC1	834932589	HGSFCHNIPXXIIC-UHFFFAOYSA-N	303.362	1.450	50	20	DDGD	
Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)NNC(=O)c1ncon1	832825672	CZVWRFGKUPFYMO-QWRGUYRKSA-N	314.345	1.820	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)o1)c1cccc(C(F)(F)F)c1	585014882	HHEMBOXDJVACIC-VIFPVBQESA-N	313.084	1.829	50	20	DDGD	
CN(CCCCNCc1ccccc1B(O)O)c1ccccc1	585018166	HUUCVZCDCCNSGS-UHFFFAOYSA-N	312.222	1.373	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)c1cnn2cccnc12	730289444	WJUXGKKEHFCXDF-UHFFFAOYSA-N	304.313	1.456	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc2ccccc2n1CC#N	732084165	OYMJBFNPBPYCNE-UHFFFAOYSA-N	322.328	1.271	50	20	DDGD	
COC[C@]1(CC(C)C)CCCN1C(=O)c1ccc(B(O)O)cc1	584981642	ZHVWTMIDCLKEES-QGZVFWFLSA-N	319.210	1.034	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1Cc2ccc(C(C)=O)cc2C1	839632201	GYKMMWYVCPPNFI-SNVBAGLBSA-N	303.362	1.151	50	20	DDGD	
CC1(C)CCc2cc(C=NNC(=O)NCC(=O)O)ccc2O1	833561206	UTLJLELOHSEAEE-UHFFFAOYSA-N	305.334	1.508	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCCN(C3CCCCC3)C2)cc1	585021397	JYIBBTHJQANYNM-QGZVFWFLSA-N	316.254	1.253	50	20	DDGD	
CC[C@H](CC(F)(F)F)C(=O)NNC(=O)N=c1cc[nH]cc1	831937109	MEZJHUUFFXEPIA-MRVPVSSYSA-N	304.272	1.635	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNc2ncnc3ccsc23)CC1=O	839705993	QLOCEDQIUDGBNO-VIFPVBQESA-N	319.390	1.393	50	20	DDGD	
Cc1ccc(CNS(=O)(=O)CCl)c(O[C@@H]2CCOC2)c1	830855736	SIRDFLCRTZAXEN-GFCCVEGCSA-N	319.810	1.778	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNC(=O)CCCc1ccccc1	732285001	MKLYFYXMLWBTIY-HNNXBMFYSA-N	303.406	1.641	50	20	DDGD	
O=C(NCC[C@H]1C[C@H]2CC[C@H]1O2)NNC(=O)c1ccccc1F	838752905	SMTFAISAECIAPN-MISXGVKJSA-N	321.352	1.727	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCCO1)c1nc2ccccc2n1C	834988924	OIRBNSVDPUOBGU-CQSZACIVSA-N	300.362	1.983	50	20	DDGD	
CCOC(=O)C(C)(C)ONC(=O)[C@@]1(C)C[C@H]1Br	912268208	KGOMBLPNEVOIFH-HQJQHLMTSA-N	308.172	1.549	50	20	DDGD	
Cc1nn(CC(=O)NN(C)C[C@@H](C)O)cc1-c1ccccc1	910151769	FTLSIKHKXQMRKP-GFCCVEGCSA-N	302.378	1.202	50	20	DDGD	
COCc1cc(C(=O)NNC(=O)NCCc2cccs2)no1	742582633	AORANULHNOLZFM-UHFFFAOYSA-N	324.362	1.069	50	20	DDGD	
COc1ccc(Br)cc1C(=O)NN(C)C[C@@H](C)O	910162232	DEMAFRFEMQIUAP-MRVPVSSYSA-N	317.183	1.415	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCc1cccc(Br)c1	910180293	LECJTJMYAPNPDZ-JTQLQIEISA-N	315.211	1.726	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H](C)NC(=O)C2CCCCC2)n1	918563707	ZHSUOQHYPPUVMY-SNVBAGLBSA-N	321.381	1.013	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(CSc2nc[nH]n2)cc1	910164942	FJBPAHUATCSYCP-JTQLQIEISA-N	321.406	1.054	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2C[C@@H]3[C@@H](C2)C3(F)F)cc(C#N)n1C	846600771	OCCSFQRDVVEGNB-TYPLZORXSA-N	316.311	1.836	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N(C)Cc1ccon1	740052034	OIQGVMDWFUNTOT-UHFFFAOYSA-N	304.306	1.170	50	20	DDGD	
C[C@H](CCc1ccccc1F)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843651831	FYZJFDSMYWRIFI-BZPMIXESSA-N	322.380	1.967	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1ccc(N2CCOCC2)nc1	848080329	IMNFEVOVQWVIHB-UHFFFAOYSA-N	318.204	1.794	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12	743448132	ZRHBUPGVIRCMFJ-QTKMDUPCSA-N	316.361	1.359	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F	910158367	CUCTUFBVOKRGAD-VIFPVBQESA-N	313.329	1.355	50	20	DDGD	
COc1ccc2cc(C=NNC(=O)C(=O)NC3CC3)ccc2c1	744827735	MSONPXLQNZOESK-UHFFFAOYSA-N	311.341	1.577	50	20	DDGD	
CCOc1ccc(C(=O)NNc2ccnc(N(C)C)n2)cc1	740105022	UKTJFBQRLGVJSV-UHFFFAOYSA-N	301.350	1.698	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2cc(C#N)c[nH]2)cc1	748287504	OJASDMPMKNFGCI-UHFFFAOYSA-N	314.370	1.748	50	20	DDGD	
CC[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)c2ccccc2O1	744409089	LKASFQNYEBBZGW-GFCCVEGCSA-N	319.405	1.858	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)ccn1	843653943	PDXLOEVHWCDKKG-CMPLNLGQSA-N	307.350	1.055	50	20	DDGD	
COC[C@@]1(CNC(=O)[C@H](Br)C(C)(C)C)CCCN1	843477429	MMPQCVZZLAHEFB-GWCFXTLKSA-N	321.259	1.681	50	20	DDGD	
CCc1noc(CCCC(=O)NNC(=O)NC2CCCCC2)n1	917906601	APCVGUXBZYAXMG-UHFFFAOYSA-N	323.397	1.618	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNC(=O)Nc1ccccc1C	846063119	SHRSOYHEIMBYRH-UHFFFAOYSA-N	306.366	1.310	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1cc(Cl)nc(Cl)c1	743469534	SDYHNHJWCQCLFM-UHFFFAOYSA-N	324.131	1.812	50	20	DDGD	
CCC(=NNC(=O)CNC(=O)c1cccs1)[C@H]1CCOC1	741839737	PJDYOSLOUSAUNR-JTQLQIEISA-N	309.391	1.397	50	20	DDGD	
COC[C@@](C)(O)C(=O)NNc1ccc(F)cc1Br	748080699	PKQCXSJHVQUTDV-LLVKDONJSA-N	321.146	1.429	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C2(C)CCC(=O)CC2)cc1	846376810	GWKXPTVFRPFMDH-UHFFFAOYSA-N	318.373	1.995	50	20	DDGD	
Cc1ccc(/C=C(\C#N)C(=O)OCCCS(N)(=O)=O)cc1	744502782	UDUVCNMFCHEIBJ-UKTHLTGXSA-N	308.359	1.124	50	20	DDGD	
CC(=O)NNC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1	912693954	RXNBOUSPTSTIFH-UHFFFAOYSA-N	306.753	1.923	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNc1nc(-c2ccncc2)no1	841385980	HZFWSIZFGRPIER-LLVKDONJSA-N	305.338	1.636	50	20	DDGD	
CNCCCNC(=O)NNc1ccccc1OC(F)(F)F	841917009	ZWSJALMHUUNQLO-UHFFFAOYSA-N	306.288	1.821	50	20	DDGD	
O=C(NN=C1CCC(F)(F)CC1)c1ccc(-n2cnnn2)cc1	842520131	CEPIVBIGAXPTQC-UHFFFAOYSA-N	320.303	1.957	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CC1	843649887	YDFIUTHQKYYXAR-CHWSQXEVSA-N	302.374	1.599	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)Cc1ccncc1)[C@@H]1CC1(C)C	841594024	PLGYXEPFTGJJHL-QWHCGFSZSA-N	304.394	1.779	50	20	DDGD	
CN1CC[C@H]1CNC(=O)NNC(=O)Nc1cc(F)cc(F)c1	925423165	FNCJYHGTGMEWSQ-NSHDSACASA-N	313.308	1.005	50	20	DDGD	
COc1cc(C)cc2c1OCCC2=NNC(=O)c1ncccn1	841659073	CFYRTEGDYDVYKS-UHFFFAOYSA-N	312.329	1.710	50	20	DDGD	
C#C[C@](C)(CC)NCC(=O)NNC(=O)c1cc(C)c(CC)s1	852101636	RSKCVAOABASGAQ-MRXNPFEDSA-N	321.446	1.771	50	20	DDGD	
Cc1cc(C(C)(C)C)ccc1OCCCC(=O)NNC(=O)CO	753439523	OWLOHJMAVVXUMR-UHFFFAOYSA-N	322.405	1.591	50	20	DDGD	
CC(=O)N1CC[C@@H](NC(=O)NC[C@@]2(C)C[C@@H]2Br)C1	856894985	YHXMSQITVFSGIE-JFGNBEQYSA-N	318.215	1.080	50	20	DDGD	
C[C@@H]1COC[C@@H]1NC(=O)NNC(=O)c1nc2ccccc2s1	926032179	OKMQTXFTGRFVAW-SCZZXKLOSA-N	320.374	1.275	50	20	DDGD	
O=C(NNC(=O)[C@@H](F)Cc1ccccc1)OCC(F)(F)F	856023031	VZSXJTQIGZTFDF-VIFPVBQESA-N	308.231	1.887	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](C)n2cncn2)c1C	855625230	BLUQSSWETDEKQX-JTQLQIEISA-N	303.322	1.077	50	20	DDGD	
C[C@@H](CBr)CN1CCN(c2cc(F)ncn2)CC1	852132740	GBRQQZHFONFDSY-JTQLQIEISA-N	317.206	1.769	50	20	DDGD	
COC[C@@H]1CCCN1C(=O)NNC(=O)C(C)(C)c1ccccc1	752009639	GMLPIPVYHKHVNX-AWEZNQCLSA-N	319.405	1.816	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCCC(N)=O)c1C	759545609	DRQFGOLKBYOKST-NTEUORMPSA-N	303.362	1.841	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)C[C@H](C)c2ccco2)n1	858148616	FBAWRNYJMNLGJP-JTQLQIEISA-N	304.350	1.434	50	20	DDGD	
CCCN1CC[C@@H](NC(=O)NNC(=O)Cc2ccc(F)cc2)C1	852631744	INJQFQZSXFRELE-CQSZACIVSA-N	322.384	1.183	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H](C)CN2CCC(C)CC2)n1	852602103	CMLXIGQFFCCNNK-CQSZACIVSA-N	320.441	1.840	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCc2cccnc21)c1cccc(F)n1	856426784	IJOFETNEENVXCZ-NSHDSACASA-N	314.320	1.497	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CN(C)C)cc(C(F)(F)F)c1	753243645	RNYLXHSJGMGOMI-UHFFFAOYSA-N	318.299	1.728	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)CC(F)(F)F)c(C(C)C)n1	855002613	ZRRQOBKEFDIZQC-UHFFFAOYSA-N	304.272	1.622	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CCCn2ccccc2=O)c1	759326247	NPRNEXVVCAULSL-UHFFFAOYSA-N	319.336	1.920	50	20	DDGD	
CCn1ncc(C)c1NC(=O)C(=O)NCCSSC	850448693	ROSSWJDUXXUWCF-UHFFFAOYSA-N	302.425	1.277	50	20	DDGD	
CCC[C@@H]1C[C@H]1NC(=O)NNC(=O)c1cc(OC)cc(OC)c1	752018703	KVWMXEKHFKNASP-QMTHXVAHSA-N	321.377	1.836	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1scnc1C1CC1	757800890	PMQVDCHSLJENNN-UHFFFAOYSA-N	304.335	1.277	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1ccc(C2CC2)cc1	757881790	JMZIQLOBXXMIIS-LLVKDONJSA-N	321.377	1.768	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)N[C@](C)(C1CC1)C(F)(F)F	933580999	XCQHEXZSQLFHMB-GFCCVEGCSA-N	318.299	1.700	50	20	DDGD	
NC(=O)[C@@H](Cc1ccccc1)NNC(=O)c1cc2ccccc2o1	758147635	ZJUDQHSSTNTSRY-CQSZACIVSA-N	323.352	1.764	50	20	DDGD	
O=C(Cn1cnc2c1CCCC2)NNC(=O)c1cccs1	757688659	DTRJFAJDKULTDO-UHFFFAOYSA-N	304.375	1.285	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)C(C)(C)C1CC1	855833027	FVVXMKSWQUDKLU-UHFFFAOYSA-N	311.426	1.513	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1coc2c1C(=O)CCC2)C1CC1	855094545	CYZXPVMMLQZADT-MRVPVSSYSA-N	321.402	1.706	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc2c(c1)CCCN2C(C)=O	756282254	ZIHWMBWTMUJJLO-UHFFFAOYSA-N	304.350	1.548	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@](C)(NC(C)=O)C(C)C)c1	935025042	ZGPFKMTVCLXQKT-HNNXBMFYSA-N	311.357	1.828	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2c(C3CC3)nc3sccn23)N1	863148203	WLQYLLVPGWIYNW-SECBINFHSA-N	317.374	1.002	50	20	DDGD	
O=C(NCc1cccnn1)NNC(=O)c1cccc2ccccc12	767813265	DMDRZPNLKMKAOT-UHFFFAOYSA-N	321.340	1.774	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)[C@@H]1CCSC1	764042384	HCODQDCZHVGQGE-SECBINFHSA-N	312.416	1.385	50	20	DDGD	
Cc1ccc(C(F)(F)C(=O)NNC(=O)Cc2cc(C)[nH]n2)cc1	869014643	IXUAGNKMVKINNF-UHFFFAOYSA-N	322.315	1.508	50	20	DDGD	
O=S(=O)(CCl)NC[C@@H]1CCCN(CC(F)(F)F)C1	867708752	BMJCXYAUXCYFIQ-QMMMGPOBSA-N	308.753	1.376	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNC(=O)C(C)(C)C)ccc1F	769973916	KVZWPXQWMVOOBJ-UHFFFAOYSA-N	311.313	1.811	50	20	DDGD	
CCCN(NC(=O)[C@@H](C)[C@@H]1CCC(=O)N1)C(=O)OC(C)(C)C	861678322	XXLOMJAOVIUINX-QWRGUYRKSA-N	313.398	1.579	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1cccc2ccccc12	763882239	MBVUVLSBKLCCHT-UHFFFAOYSA-N	313.357	1.972	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](C)c1nc(C(F)(F)F)no1	862032007	WPLQWOWENPMWSM-XOQWBGJWSA-N	304.228	1.710	50	20	DDGD	
CC[C@H]1CCCC[C@H]1OCC(=O)NNC(=O)c1c[nH]nc1C	767994860	SUAOXHSGXGIDCD-WCQYABFASA-N	308.382	1.465	50	20	DDGD	
C[C@H](NNC(=O)c1cnn(C)c1-n1cccc1)C(F)(F)F	862307610	ZAZSJWVCLLUZEK-QMMMGPOBSA-N	301.272	1.396	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1cccc(F)n1	763284425	VGUNKYYGIYCUBJ-UHFFFAOYSA-N	319.292	1.069	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)Cc2ccccc2F)[C@H]1C	1118877313	DLXOQUHSEKHVKE-KIGUWFBYSA-N	308.353	1.575	50	20	DDGD	
COCCOCC(=O)NN=Cc1cccc(C)c1OC(F)F	872401301	OPTARLUJAJFWEC-UHFFFAOYSA-N	316.304	1.710	50	20	DDGD	
CCc1ccc(-c2cc(C(=O)NNC(=O)c3cn[nH]c3)n[nH]2)cc1	768268378	NWIFMYSVTDFWGW-UHFFFAOYSA-N	324.344	1.437	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@@H](C)c1ccccc1C	772135629	IDEBCJYJXATXRZ-CHWSQXEVSA-N	320.389	1.978	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H](CC(C)C)C(N)=O)c1	873777743	YKWSZFFKRDOXAC-GFCCVEGCSA-N	322.434	1.460	50	20	DDGD	
CCN(C)C(=O)c1cccc(NC(=O)NN(C)C(=O)OC)c1	879572846	JOXVYRCBSPYQPG-UHFFFAOYSA-N	308.338	1.513	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1cnn(C)c1C	778534044	VEKJPVVAFFSEAK-HNNXBMFYSA-N	314.345	1.409	50	20	DDGD	
C[C@H]1C[C@@H](CNC(=O)NNC(=O)c2cccc(C#N)c2)CCO1	770769472	HMBYWDBPVRXTNK-AAEUAGOBSA-N	316.361	1.317	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CCC[C@H]2CCO)c1	779710257	AWKZAYZNEHSWAM-SMDDNHRTSA-N	321.377	1.650	50	20	DDGD	
CCSCc1cc(C(=O)NNC(=O)c2c[nH]nc2C)no1	771325837	GTMJOOOZBSYACG-UHFFFAOYSA-N	309.351	1.034	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCOCC2CC2)cc1	1116011908	FVDSWPCBCKMOSH-UHFFFAOYSA-N	307.350	1.066	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1ccccc1C(=O)OC	777772401	WFTBGPXWZXNVQM-LLVKDONJSA-N	310.350	1.358	50	20	DDGD	
CO[C@@]1(CNC(=O)NNc2c(F)cccc2Cl)CCOC1	771352665	KSSXSTKFLFMQKL-CYBMUJFWSA-N	317.748	1.911	50	20	DDGD	
CC(C)NC(=O)NN=Cc1c(Cl)cccc1S(C)(=O)=O	773202151	UCBRNZNVWITZHB-UHFFFAOYSA-N	317.798	1.785	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2ccc3cc[nH]c3n2)c1	779380301	QZDGBSDOZRJTGG-UHFFFAOYSA-N	324.340	1.711	50	20	DDGD	
CSC1(CNS(=O)(=O)CCCCl)CCOCC1	881940981	UDWXENJBLZLJKC-UHFFFAOYSA-N	301.861	1.447	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)C(F)(F)F	772167460	SNQXCLNSOUUIFF-HTQZYQBOSA-N	312.288	1.310	50	20	DDGD	
CC(C)n1ncc(C(=O)NNc2cnc3ccccc3n2)c1N	774795138	SWBFCXMDQKRQCY-UHFFFAOYSA-N	311.349	1.746	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)NCC(=O)OC)C12CCCCC2	779818271	OELQDKYACUVWAD-LBPRGKRZSA-N	311.382	1.574	50	20	DDGD	
CC(C)/C=C\c1cn(CC(=O)NNC(=O)c2cccs2)nn1	880998880	BRBFXISRAQZWAE-WAYWQWQTSA-N	319.390	1.470	50	20	DDGD	
CC(C)(C)CCN1CCN(S(=O)(=O)CCCCl)CC1	881803667	CLQILCVPGHGPGX-UHFFFAOYSA-N	310.891	1.999	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc([C@@]2(C)COC(=O)N2)c1	881103151	OPEKLRQKWPAIQE-OAHLLOKOSA-N	322.365	1.256	50	20	DDGD	
COc1ccc(F)cc1CCNC(=O)NNC(=O)C1CCCC1	884295262	UFQNYQFXLBNLSN-UHFFFAOYSA-N	323.368	1.897	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)CC1=CCCCC1	788228234	JAXUHPQPRCPXJF-UHFFFAOYSA-N	309.391	1.668	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OC[C@@H](C)O)c1C	787562766	JGPSLYYNERGOKG-AZZDOICSSA-N	306.362	1.582	50	20	DDGD	
Cc1oc(C=NNC(=O)CCN2CCC(C)CC2)cc1C(=O)O	1120247041	WDTKFNOYBSMMRU-UHFFFAOYSA-N	321.377	1.858	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)n[nH]1	781709934	NQUVWZNWVGQCQX-WCQYABFASA-N	308.382	1.320	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(Br)c(O)c1	780706352	MWPKCOLVKLJKEV-UHFFFAOYSA-N	316.155	1.461	50	20	DDGD	
COCCOc1ccc(C(C)=NNC(=O)C(F)F)cc1OC	782234619	YLGLXGZUZDVCJX-UHFFFAOYSA-N	316.304	1.826	50	20	DDGD	
Cc1ncccc1NC(=O)C(=O)NNc1ccc(Cl)nc1	784870287	LPVBNIKFIOALLW-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1ccccc1C(N)=O	788702803	XRCHREPQYOCSCN-CYBMUJFWSA-N	316.405	1.358	50	20	DDGD	
CO[C@@H](CNC(=O)/C(C#N)=C/c1ccc(O)cc1)C(F)(F)F	787360014	NOZQMUQIOWWTPM-JXPAYYINSA-N	314.263	1.993	50	20	DDGD	
CNC(=O)NN=C1CCC(N2C(=O)c3ccccc3C2=O)CC1	780212559	IKUHRWYKMKPVLO-UHFFFAOYSA-N	314.345	1.510	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(C#N)cn1)N1CCc2ccccc2C1	899662291	RKRWGRKBWSXIKT-ZDUSSCGKSA-N	321.384	1.843	50	20	DDGD	
Cn1ncc2c1C[C@H](C(=O)NNc1nc3ccccc3[nH]1)CC2	799102704	NHVLAPSAOQKVCC-SNVBAGLBSA-N	310.361	1.545	50	20	DDGD	
COCCN(C)NC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1	897721922	ONLGWTYBINCXSZ-HNNXBMFYSA-N	309.410	1.344	50	20	DDGD	
COc1ccc(C(=O)NNc2ccccc2)cc1OCCO	798334337	ATBKVCHIRIIIDA-UHFFFAOYSA-N	302.330	1.823	50	20	DDGD	
Cc1cccc2c1OCCC2=NNC(=O)N1CCN(C)CC1	790174275	QTTGAVHFVNNKPC-UHFFFAOYSA-N	302.378	1.439	50	20	DDGD	
CC(C)(C(=O)NNC(=O)C[C@@H]1CCCOC1)c1ccccc1	793462664	DCGYVAJQPWPSHM-ZDUSSCGKSA-N	304.390	1.928	50	20	DDGD	
Cn1cc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])ccc1=O	791066227	CQOBGMJXRBZGAL-UHFFFAOYSA-N	306.253	1.190	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cnc2sccn2c1=O	791225388	OHPIHPUSENZOKZ-UHFFFAOYSA-N	301.331	1.216	50	20	DDGD	
C[C@@H]1CC[C@H](CNC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	793465333	UFRYHOAXEPACGH-MNOVXSKESA-N	320.349	1.975	50	20	DDGD	
Cc1cccnc1NNC(=O)C[C@H]1Oc2ccccc2NC1=O	791215461	RPVQRVMLJQNSKJ-CYBMUJFWSA-N	312.329	1.623	50	20	DDGD	
COC(=O)c1occc1C=NNC(=O)Cn1nc(C)cc1C	794762625	XWOPXLUJTNNXFK-UHFFFAOYSA-N	304.306	1.030	50	20	DDGD	
Cc1noc([C@@H]2CCCN2CCI)n1	796697472	XDLIJWTUOWHAEX-QMMMGPOBSA-N	307.135	1.950	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)nc(C)n1	795113469	ONIFZOBPNOTINH-BFSVRSTQSA-N	310.401	1.931	50	20	DDGD	
Cc1sc(C(=O)N2CC[C@H](B(O)O)C2)cc1Br	585064047	LXAAXIIHXNLOLI-ZETCQYMHSA-N	318.001	1.508	50	20	DDGD	
O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CC[C@@H](B(O)O)C1	585060691	ICNAGOKXSYAVTF-SSDOTTSWSA-N	323.994	1.231	50	20	DDGD	
OB(O)[C@H]1CCN(Cc2ccc(Br)cc2F)C1	585077786	YFCUYQBHGSPALL-VIFPVBQESA-N	301.952	1.637	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc(F)cc2nccnc12	1317909309	RNXCXTOPAAGFGX-UHFFFAOYSA-N	307.354	1.286	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1ccc(N2CCCC2)cc1O	1318911516	XFZWLWKIJRMEPY-UHFFFAOYSA-N	305.334	1.006	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCc2ccc(C)nc2)cc1	1317881304	KRHVMYUFJSQIQZ-UHFFFAOYSA-N	314.345	1.543	50	20	DDGD	
CCOC(=O)c1ccc(N2CCN(C(=O)CCl)CC2)nc1	1319674068	DDLDCANKTIUODP-UHFFFAOYSA-N	311.769	1.146	50	20	DDGD	
CN1CCN(CCCNC(=O)CCl)[C@@H](c2ccccc2)C1	1319678795	QNLCKOASNIGQLL-OAHLLOKOSA-N	309.841	1.720	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2cnn(C(F)F)c2)c1	1320885085	MDYBCJJLYITSCC-UHFFFAOYSA-N	310.264	1.063	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNc2ccn(C)n2)cc1OC	1328773636	WTUHZXFGUWUPQC-NSHDSACASA-N	318.377	1.759	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H](O)Cc2ccccc2)cc1	1321496603	QJAWWGYVAOGTQZ-HNNXBMFYSA-N	314.341	1.060	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc2c(c1)SCC(=O)N2	1330103605	FLOVJRORAHGXOK-UHFFFAOYSA-N	324.431	1.248	50	20	DDGD	
O=C(NC/C=C/C1CC1)NNc1ncc(Br)cn1	1332940719	NWNURZCQXBQMOR-OWOJBTEDSA-N	312.171	1.831	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnn(-c2ccccc2)c1OC	1338226658	PVMIRTGXPCRKJZ-UHFFFAOYSA-N	317.349	1.187	50	20	DDGD	
Cc1nc([C@H](C)NC(=O)NC[C@@]2(C)C[C@H]2Br)no1	1331336882	FXROOOPRDKKXAP-FMTFEUNWSA-N	317.187	1.912	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)c1ncoc1[C@H]1CCCO1	1348010025	GKGAHDOLVBAXLP-MRVPVSSYSA-N	309.713	1.726	50	20	DDGD	
C[C@@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)c1noc(C(F)F)n1	1348966369	IGZOQKQFRZFKOH-LVWLXAFTSA-N	322.275	1.525	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCCC(F)F)c1	1355892052	DMSLTDANMOXEAI-UHFFFAOYSA-N	300.309	1.352	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc(Cl)nc1N)C1CC1	1351043637	CQQPDKZSRCNXEW-LURJTMIESA-N	313.814	1.225	50	20	DDGD	
O=C(NN[C@@H](C(=O)O)C1CC1)c1ccccc1Br	1601557189	HCCRQKDRTVMSOS-SNVBAGLBSA-N	313.151	1.547	50	20	DDGD	
O=C(CCn1ccccc1=O)NNc1cccc(C(=O)O)c1F	1601299855	RTRAHKZZZHKVHI-UHFFFAOYSA-N	319.292	1.219	50	20	DDGD	
O=C(O)Cc1cccc(NC(=O)NNc2ncc(Cl)cn2)n1	1602139568	CAFIFWSGLAZHIN-UHFFFAOYSA-N	322.712	1.301	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2c[nH]nc2C2CC2)cc1F	1608904021	DSRXVSNYMIXWJS-UHFFFAOYSA-N	304.281	1.881	50	20	DDGD	
Cc1c(C(=O)O)cc(CNC(=O)NNc2cccc(F)n2)n1C	1607515407	MLPUUPBMAUCQHG-UHFFFAOYSA-N	321.312	1.392	50	20	DDGD	
O=C(O)CC[C@@H]1CC[C@H](C(=O)NNc2ncc(F)cc2F)O1	1602036200	MLVQIAQJSYUXQJ-WCBMZHEXSA-N	315.276	1.215	50	20	DDGD	
O=C(O)[C@H]1C[C@@H](C(=O)NNc2cc(C(F)(F)F)ccn2)C1	1602214259	SMVGSGABOSOBTB-KNVOCYPGSA-N	303.240	1.654	50	20	DDGD	
O=C(NCCCOC(F)F)NNc1ccc(C(=O)O)cc1F	1601500008	QFGDIFDGVGIZQH-UHFFFAOYSA-N	321.255	1.779	50	20	DDGD	
O=C(CCC1CCCCC1)NNC(=O)Cn1cc(C(=O)O)cn1	1608300362	MCTPEVCOFPNHBD-UHFFFAOYSA-N	322.365	1.089	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cn3ccccc3n2)c(F)c1	1602384447	NKCBSKMDGKXHSF-UHFFFAOYSA-N	314.276	1.929	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@H]2CC[C@H]3CCCCN32)c1F	1608935633	AUARKEAGSRDOBZ-ZWNOBZJWSA-N	321.352	1.984	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@@H](C(=O)O)c2ccsc2)cn1	1600945571	HQLUBHGGKOQASL-CSXHZRMWSA-N	316.342	1.331	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1ccc(C(=O)O)c(F)c1)C(C)C	1603035435	WVJYNOBUJICJDL-GFCCVEGCSA-N	311.313	1.128	50	20	DDGD	
O=C(NNc1ncccc1F)C(=O)Nc1ccc(C(=O)O)cc1	1610700512	UYADSADEZOCWLL-UHFFFAOYSA-N	318.264	1.001	50	20	DDGD	
CCc1nc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)cs1	1549320743	NQGBEOXKHGTSMM-NWDGAFQWSA-N	308.407	1.019	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)CC1CCN(C)CC1	1610287300	HTUMGKRDRSAUMJ-UHFFFAOYSA-N	321.377	1.568	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@]23[C@@H]4[C@H]5C(=O)[C@H]2[C@@H]2[C@@H]5C[C@@H]4[C@H]23)c1	1610848502	JEVDKCUZNPBAFW-KGXBDENRSA-N	324.336	1.155	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@@H]1C=NNC(=O)c1cccnn1	1552926667	NVYPFTRXTFPWFA-YPMHNXCESA-N	314.349	1.186	50	20	DDGD	
ICCN1CCO[C@@H]([C@H]2CCCO2)C1	190933865	WVFHQMRPHSGTBY-NXEZZACHSA-N	311.163	1.301	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@]23CCCC[C@@H]2NCC3)cc1	1578252435	AACNQRFVUJAMIS-MAUKXSAKSA-N	315.417	1.932	50	20	DDGD	
Cc1ccc(NNC(=O)NCCN2CCC(N)CC2)cc1F	1579724348	VEMUICUPWPYJIC-UHFFFAOYSA-N	309.389	1.183	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCC[C@@H](N)Cc1ccccc1	1575232338	WFQGFJVZNRDODY-CYBMUJFWSA-N	322.409	1.685	50	20	DDGD	
CCNCc1ccccc1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	1577878199	DNGDAIBHWCNVBR-DGCLKSJQSA-N	320.393	1.374	50	20	DDGD	
C#CCSCCNC(=O)NNc1cccc(C(=O)O)c1C	1588506510	UNKQTDLKHCDMOY-UHFFFAOYSA-N	307.375	1.686	50	20	DDGD	
CC(C)(C(=O)NNc1cccnn1)c1ccc(-c2nn[nH]n2)cc1	1589054603	LFLVKDPLBBNINS-UHFFFAOYSA-N	324.348	1.078	50	20	DDGD	
O=C([C@@H]1CC1(F)F)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843363873	DIICOHSPOUWWPQ-YUMQZZPRSA-N	310.703	1.379	50	20	DDGD	
COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)C2CCC2)C1	1842590143	OEKKPAZNWJYCBM-LBPRGKRZSA-N	314.813	1.244	50	20	DDGD	
CO[C@@H]1CCC[C@H]1NC(=O)NNc1ccc(F)c(C(=O)O)c1	1599322587	SHIAJKSWOMSOAS-VXGBXAGGSA-N	311.313	1.718	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H]2CC=C(C(=O)O)C2)C[C@H]1Br	1594018163	XDYAERGLBJJTAP-KBVBSXBZSA-N	317.183	1.633	50	20	DDGD	
COCC(=O)NN[C@@H](C(=O)O)c1ccc(Cl)c(Cl)c1	1599142881	IVWBLFDMIDTVNF-SNVBAGLBSA-N	307.133	1.386	50	20	DDGD	
CC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn[nH]c1	1797041652	AMDZTYGGXPKWDG-YVECIDJPSA-N	324.812	1.679	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl)C1CCC1	1796803673	DJLMUOBYVYOKDB-WRWGMCAJSA-N	302.777	1.959	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)/C=C/c2cccc(O)c2)c1	152899236	YCXGEMYGZJKUFG-BQYQJAHWSA-N	307.309	1.738	50	20	DDGD	
CN(C)c1cccc(CNC(=O)NNC(=O)c2ccc[nH]2)c1	155289712	KSPLDQUJDBWKGU-UHFFFAOYSA-N	301.350	1.225	50	20	DDGD	
CCCCC[C@H](C(=O)NNc1ccc(C(N)=O)nn1)C(C)C	154404663	RAARPCXUZWKPTN-NSHDSACASA-N	307.398	1.871	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC[C@H]1C(=O)NCc1ccco1	159097265	XJUZYMOICLKAQD-NYHXXUGCSA-N	317.345	1.331	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1CCCN(S(=O)(=O)CCl)C1	830151024	RDSOYLULZDWCLH-SECBINFHSA-N	312.819	1.502	50	20	DDGD	
CC(C)OCCC(=O)NNC(=O)c1cccc(OC(F)F)c1	103041436	YZKXAOJJIXUXOM-UHFFFAOYSA-N	316.304	1.864	50	20	DDGD	
COc1ccc(S[C@@H](C)C(=O)NNC(=O)[C@@H]2CCCO2)cc1	58248813	HBSWJMCJMIIBIT-GWCFXTLKSA-N	324.402	1.502	50	20	DDGD	
CC(=O)N1CCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)CC1	176978622	QMEIARWGPNAFPC-GIDUJCDVSA-N	300.318	1.623	50	20	DDGD	
CC(C)NC(=O)CCCC(=O)NNc1cccc([N+](=O)[O-])c1	178835956	IIYBVZGEPVDWCD-UHFFFAOYSA-N	308.338	1.733	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCCO1)C(=O)NNC(=O)c1ccccc1O	66896958	VDVTUKLIVSTXIA-NEPJUHHUSA-N	322.361	1.127	50	20	DDGD	
CC(C)N(C)CCNC(=O)NNC(=O)c1c[nH]c2ccccc12	102063398	ADSWEDMXZLWCCL-UHFFFAOYSA-N	317.393	1.452	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1Cl	109859395	DCPDMVVHMANVGG-SECBINFHSA-N	322.752	1.600	50	20	DDGD	
CN(CCCNC(=S)NNC(=O)C1CC1)c1ccccc1	102209086	XYKFBGYHRJKDHN-UHFFFAOYSA-N	306.435	1.418	50	20	DDGD	
COc1cccc2cc(C(=O)NNC(=O)c3cnn(C)c3)oc12	117680591	YWLSLYABFHECQL-UHFFFAOYSA-N	314.301	1.250	50	20	DDGD	
Cc1cc(NNC(=O)c2cn(Cc3ccccc3)nn2)ncn1	172278222	BDWVQFWADNTTBE-UHFFFAOYSA-N	309.333	1.182	50	20	DDGD	
C[C@H](CS(C)(=O)=O)NC(=O)NNc1c(F)cccc1F	172477801	VCBVCVPDPBQWJX-SSDOTTSWSA-N	307.322	1.024	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@@H]2CCCOC2)c1C	171024920	BLXLDEHGVLEJLH-UONOGXRCSA-N	320.389	1.645	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)c2cc(C)n[nH]2)s1	178371489	PUIBEDDDPWYJFL-UHFFFAOYSA-N	307.379	1.510	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCCCc1cccc(O)c1	1349960132	OEDOBBGXGVLHRT-WFASDCNBSA-N	320.389	1.677	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCCc1csc(C)n1	175830928	LCIQJVNKDLFWJJ-UHFFFAOYSA-N	314.411	1.141	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Cc1c[nH]c2ccc(F)cc12	115320441	MZUGOXNXDNEOHG-UHFFFAOYSA-N	314.320	1.649	50	20	DDGD	
COc1ccc(S[C@H](C)C(=O)NNC(=O)NC2CC2)cc1	68266633	GSNSVBSUPUIBLM-SECBINFHSA-N	309.391	1.669	50	20	DDGD	
CCS(=O)(=O)CCNC(=O)NNc1ccc(Cl)c(F)c1	175453261	RFNAIHLNCAHLOJ-UHFFFAOYSA-N	323.777	1.540	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cc(-c2ccncc2)on1	175797896	CVMZXVMZHPQDGJ-UHFFFAOYSA-N	323.312	1.135	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2cc(C)on2)c1	69095661	ZYQAFXNHNQMGER-UHFFFAOYSA-N	303.318	1.440	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNS(=O)(=O)C1CC1	171330553	RTMIDDDWSFAOIP-UHFFFAOYSA-N	312.435	1.706	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2cscc2C)c1	175030119	GRZPXQSMXMPTQW-UHFFFAOYSA-N	319.386	1.938	50	20	DDGD	
Cc1nn(C)cc1[C@@H](C)NC(=O)NNc1ccc(Cl)nn1	69334099	SVMCNBYBRGABNO-SSDOTTSWSA-N	309.761	1.559	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)c2ccc3ccccc3n2)o1	173591838	RDEWMDDCGQMJTB-UHFFFAOYSA-N	310.313	1.914	50	20	DDGD	
O=C(CC[C@H]1Cc2ccccc2NC1=O)NNc1cccnn1	172368654	ZRHUVYJCPKJISS-LBPRGKRZSA-N	311.345	1.511	50	20	DDGD	
O=C(NNC(=O)C1(c2cccc(F)c2)CCOCC1)NC1CC1	64900244	IUAWEAQDPGAJTN-UHFFFAOYSA-N	321.352	1.367	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Cc1ccc2c(c1)OCCO2	68518142	ZNWXHNVMBALQOJ-UHFFFAOYSA-N	308.334	1.556	50	20	DDGD	
COCCCCNC(=O)NNC(=O)CCOc1ccccc1	60997586	BKYGHIHAUWQPIW-UHFFFAOYSA-N	309.366	1.213	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN(C)[C@H](C)C(C)C)n1	30149909	KQOMLZQMQNHAPP-LLVKDONJSA-N	312.439	1.118	50	20	DDGD	
CC(=O)Nc1nc(C(=O)NNc2nc(C)cc(C)n2)cs1	30683772	GDXXYMQYIXVNJS-UHFFFAOYSA-N	306.351	1.265	50	20	DDGD	
Nc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)NC1CCCCC1	188508400	QPOXXBDJMFBLHO-UHFFFAOYSA-N	321.337	1.454	50	20	DDGD	
COCCN(CCOC)C(=O)/C(C#N)=C\c1ccc(O)cc1	188042128	CZXFIJOPXVZZFR-KAMYIIQDSA-N	304.346	1.421	50	20	DDGD	
COC(=O)C1(CNC(=O)NNc2ccccn2)CCCCC1	183796667	ADPHKQGNXJHBNE-UHFFFAOYSA-N	306.366	1.831	50	20	DDGD	
Cc1cccc(NNC(=O)Cn2nc3n(c2=O)CCCCC3)c1	79113909	BDWLBIIRQANKHK-UHFFFAOYSA-N	315.377	1.223	50	20	DDGD	
Cc1cc(NNC(=O)CSCc2ccncc2)nc(C)n1	128642597	PIMDVDRRKFOKFM-UHFFFAOYSA-N	303.391	1.865	50	20	DDGD	
CC(C)(C)C(=O)NCCNC(=O)NNc1cc(Cl)ccn1	181010617	NVASYPQQUAFEIR-UHFFFAOYSA-N	313.789	1.523	50	20	DDGD	
CCOCCCC(=O)NNc1nnc(-c2ccccn2)s1	188224722	ZKOKBXLKQJUQJV-UHFFFAOYSA-N	307.379	1.860	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNC(=O)[C@H](CC)c1ccccc1	129438295	AEBVEJWBHILNSD-UONOGXRCSA-N	307.394	1.936	50	20	DDGD	
O=C(Cc1csc(N2CCCC2=O)n1)NNc1ccccn1	181200663	AEAQRRRILLNXNV-UHFFFAOYSA-N	317.374	1.351	50	20	DDGD	
CN1C[C@@H](C(=O)NNc2ccccc2C(F)(F)F)CC1=O	122874673	FPEAPIXXJKENGU-QMMMGPOBSA-N	301.268	1.627	50	20	DDGD	
COc1cccc(NNC(=O)CN(C)C(=O)c2cccs2)n1	180666606	GKMVGVDNROSAIV-UHFFFAOYSA-N	320.374	1.367	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)OC[C@@H]2CCCO2)c(O)c1	70822942	XSDHSTXAJRXUKW-RYUDHWBXSA-N	322.361	1.046	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)/C=C/c2ccco2)nc1C	182718277	GOGRSAPUFDZNMO-VOTSOKGWSA-N	316.317	1.711	50	20	DDGD	
COCCCC(=O)NNC(=S)NCCc1cccs1	49087583	RGYDKQHDCQITDO-UHFFFAOYSA-N	301.437	1.213	50	20	DDGD	
CCCC(=O)N1CCC[C@@H]1C(=O)NNc1ccncc1Cl	135876736	APFANJDNTIVLNJ-GFCCVEGCSA-N	310.785	1.969	50	20	DDGD	
C[C@@H]1CCCCN1CCCCNC(=O)NNc1ncccn1	46751164	BXPHBHIVOFYCFU-CYBMUJFWSA-N	306.414	1.757	50	20	DDGD	
CCOC1CC(CCNC(=O)NNc2ccc(Cl)nn2)C1	191705721	XAPKVLRPCFFYTR-UHFFFAOYSA-N	313.789	1.961	50	20	DDGD	
Cc1nn(C)c(C)c1CCC(=O)NNc1nc2ccccn2n1	191902406	JDENDWDKVFREBV-UHFFFAOYSA-N	313.365	1.156	50	20	DDGD	
Cc1cccc2c(CC(=O)NNC(=O)[C@@H]3CCCO3)c[nH]c12	131479007	ZFGNOVHWTSSJMH-ZDUSSCGKSA-N	301.346	1.345	50	20	DDGD	
CCCC(=O)N1CCC[C@H]1C(=O)NNc1nc(C)cc(C)n1	194318748	DPZHLARTIZFDNY-LBPRGKRZSA-N	305.382	1.328	50	20	DDGD	
NC(=O)c1ccc(NC(=O)NNc2cccc([N+](=O)[O-])c2)cc1	42902852	QJODOOAHOOUJJE-UHFFFAOYSA-N	315.289	1.842	50	20	DDGD	
C=CCOc1cc(OC)ccc1C(=O)NNc1cnccn1	139343498	YJMVSTARFNXDHW-UHFFFAOYSA-N	300.318	1.807	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(F)c(F)c(F)c1F	194443202	IQJZZYWTYBIOMD-UHFFFAOYSA-N	323.246	1.224	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c1O	249740469	IIWZCZLUYAWIDG-SRVKXCTJSA-N	318.373	1.988	50	20	DDGD	
C=CCNC(=S)NNC(=O)/C=C\c1nc2ccccc2s1	255677105	ZGIOCHWPPLJVMD-FPLPWBNLSA-N	318.427	1.991	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1	267945812	JEWOYYXTGJRQPY-STQMWFEESA-N	316.405	1.564	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(Cl)nc1)c1nnc2n1CCC2	266838484	NZPANXPMXMIQIZ-QMMMGPOBSA-N	321.772	1.660	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2n[nH]cc2C1)c1cc2ccccc2o1	362721701	BPQQKKLBBJIZOD-LLVKDONJSA-N	324.340	1.722	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)COc1ccccc1	276593284	QGZBBKUZGAIMLK-UHFFFAOYSA-N	310.350	1.002	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CC(C)(F)F	277989957	ZHTXAUUPNHJRFC-QMMMGPOBSA-N	304.268	1.786	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccccc1F)[C@H]1CCCCO1	272021461	RVEAVWWHRKWYKY-GXFFZTMASA-N	309.341	1.727	50	20	DDGD	
CC(C)(C)c1nnc(NC(=O)NNC(=O)c2ccccn2)s1	273458511	FDTXSXSESGUUBS-UHFFFAOYSA-N	320.378	1.697	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc(C(C)(C)C)nn2C)n1	279744555	BIOWNYXKPNAGHO-UHFFFAOYSA-N	315.377	1.496	50	20	DDGD	
CCC(CC)(CNC(=O)NNc1ncccc1C)C(=O)OC	276676977	GRGWETIBVGEADW-UHFFFAOYSA-N	308.382	1.996	50	20	DDGD	
COc1ncnc(N(C)C)c1NC(=O)NNc1ncccc1C	276783416	JKLHLVGAUVUZSU-UHFFFAOYSA-N	317.353	1.403	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H](C)NC(=O)CC(C)(C)C)n1	279768038	GWGZTYOKZAGBAH-LLVKDONJSA-N	320.393	1.092	50	20	DDGD	
O=C(CCOCC(F)(F)C(F)F)NNc1ccnc(F)c1	276569839	ANVBNYXBWXNQSW-UHFFFAOYSA-N	313.226	1.971	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc([N+](=O)[O-])cc1OC	275838707	ZRQCBSFVHYUTDL-QMMMGPOBSA-N	310.310	1.802	50	20	DDGD	
COc1ccc(NNC(=O)NCCc2cccc(C)n2)nc1	279963124	PRIWQYVPJULXTD-UHFFFAOYSA-N	301.350	1.662	50	20	DDGD	
Cc1c(NNC(=O)C[C@H]2CCCC(=O)N2)cccc1[N+](=O)[O-]	289816642	NXBGOCHKQDDFRW-SNVBAGLBSA-N	306.322	1.405	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	280855705	BVODQABDZFBEOH-BONVTDFDSA-N	312.341	1.556	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NC[C@@H]1CCCSC1	287858230	CUDYMUHPZWPMRQ-LBPRGKRZSA-N	308.407	1.098	50	20	DDGD	
CO[C@H](C)CN(C)C(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	286661410	XCQBNYFNFMUHEV-JBARUQGQSA-N	300.362	1.605	50	20	DDGD	
C[C@H](NS(=O)(=O)CBr)[C@@H](O)c1ccccc1	288391985	LSNMANUAPAEVGZ-WCBMZHEXSA-N	308.197	1.380	50	20	DDGD	
O=C1CCC[C@@H](C(=O)NNC(=O)Nc2cccc(Cl)c2)N1	283748424	KBQWPANFSWSJCF-JTQLQIEISA-N	310.741	1.161	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)c1cccc(N(C)C)c1)C(C)C	280978764	BAWZURITPMSATI-CQSZACIVSA-N	302.378	1.354	50	20	DDGD	
CC(=O)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1	280793015	LGYQOQHKFNPTOT-ZDUSSCGKSA-N	321.377	1.728	50	20	DDGD	
COCCN(C)NC(=O)c1cc2sc(N(C)C)nc2s1	288610223	USRKEYBGVDYALV-UHFFFAOYSA-N	314.436	1.647	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C2CC(C)(C)C2)nc1C	803052269	YVHHEXIDSOAGNH-UHFFFAOYSA-N	306.366	1.841	50	20	DDGD	
COc1ccc(OC)c(/C=C/C(=O)NNC(=O)CC2CC2)c1	294035495	DMDCIZSXMFIEAM-VMPITWQZSA-N	304.346	1.665	50	20	DDGD	
COC(=O)NNC(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1	299332429	RHBCMDNVIATIFV-NSHDSACASA-N	313.741	1.295	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2ncc(F)cc2F)CN1C1CC1	298133444	ZZDWURUUTVUVAA-WCBMZHEXSA-N	311.336	1.611	50	20	DDGD	
CC(C)(C)OC(=O)c1ccc(C(=O)NNc2nnc[nH]2)cc1	298472205	RFBGGGKDGFIGKM-UHFFFAOYSA-N	303.322	1.517	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H]1CCN(c2ccccc2Cl)C1	290525103	ZYOYUEPHUYXBRN-NSHDSACASA-N	324.812	1.859	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cn(C)nc2C2CC2)n1	291875511	HVWNTHQPLXVMCR-UHFFFAOYSA-N	302.338	1.161	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H]2CCCc3ccccc32)O1	293917652	MXQIQVULSANQOF-GLQYFDAESA-N	302.374	1.821	50	20	DDGD	
CCCc1cnc(NC(=O)NNC(=O)[C@H]2CCCCO2)s1	296719013	BYVHDWDTAGNICR-SNVBAGLBSA-N	312.395	1.817	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ncsc1C(F)(F)F	802487023	NDSXQMLBYPVDQX-UHFFFAOYSA-N	321.202	1.875	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@H]2CCCCO2)c(C(C)(C)C)n1	295271804	BYKCUYUVISXOSX-LLVKDONJSA-N	308.382	1.048	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C(C)(F)F	292707052	ODPLYZCWBYXYEL-KCJUWKMLSA-N	314.288	1.265	50	20	DDGD	
O=C(C[C@@H]1CCCC(=O)N1)NNc1ccc(F)c(F)c1F	809650671	IUABZQMFBBTFMI-ZETCQYMHSA-N	301.268	1.606	50	20	DDGD	
Cc1cc2c(cc1NC(=O)NNC(=O)[C@H]1CCCCO1)OCO2	296885977	QUIISRQVWBAVQR-LLVKDONJSA-N	321.333	1.446	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=O)c2cccc(OC)c2O)o1	294999367	ZTNNNLSCNLDYAX-UHFFFAOYSA-N	319.317	1.334	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](CC(C)C)CN2CCCC2)nn1	296556943	CFDKWGHRZRSIBE-AWEZNQCLSA-N	320.441	1.922	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2cccnn2)OCCc2sccc21	291364486	ZAWAKOXPFRMROJ-AWEZNQCLSA-N	319.390	1.652	50	20	DDGD	
O=C(COc1ccc(F)cc1Cl)NNC(=O)CC1CC1	294191804	OWBGRDTUTRKRNJ-UHFFFAOYSA-N	300.717	1.805	50	20	DDGD	
CCOC(=O)Nc1scnc1C(=O)NNC(=O)CC1CC1	294268598	UTVVBFRYALTIFY-UHFFFAOYSA-N	312.351	1.273	50	20	DDGD	
COc1cc(C(C)=NNC(=O)[C@@H](C)CN2CCC(C)CC2)on1	814764690	VLGAPEHSWKMQOX-LBPRGKRZSA-N	322.409	1.891	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cccc(C(=O)O)c1	814794782	LMBUOIMKIHEPLK-UHFFFAOYSA-N	304.331	1.496	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)COc1cc(C)ccc1C	811630384	HDEZGDJRDZHCLC-CQSZACIVSA-N	317.389	1.843	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cc2n(n1)CCO2	811527703	UVBVYDWSKMQTSE-UHFFFAOYSA-N	303.278	1.249	50	20	DDGD	
Cc1cc(-n2cncn2)ccc1C(=O)NNc1ncncc1F	817079592	VAFDPUQGMGYJQI-UHFFFAOYSA-N	313.296	1.262	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)Cn1cc(Cl)cn1	813430915	XWTGZMFWQCEQPF-UHFFFAOYSA-N	322.752	1.153	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@](C)(O)c1ccc(Cl)cc1	815505955	FDHDFUGDBHOLGD-AWEZNQCLSA-N	322.752	1.040	50	20	DDGD	
CCc1nn(C)c(OC)c1C=NNC(=O)Cc1ccccc1C	814872526	YUIUISYPWKYLBA-UHFFFAOYSA-N	314.389	1.992	50	20	DDGD	
C=C(C)C(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	819017855	LZKFDSHPVGDCMP-UHFFFAOYSA-N	317.389	1.992	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)[C@H]1CCCSC1	810312567	XUQSUJGPAWXZJQ-JTQLQIEISA-N	305.363	1.718	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cn(C)nc2C2CC2)c(O)c1	819843770	HLJRXCVMXAKYAS-UHFFFAOYSA-N	314.345	1.386	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=Cc1cnn(C)c1N	814751084	GDPMXMLGNJCULL-VIFPVBQESA-N	305.313	1.059	50	20	DDGD	
CC(C)OCc1nc([C@@H](C)NC(=O)NNc2ccccn2)no1	811972090	KSZFMYYSESNKMD-SNVBAGLBSA-N	320.353	1.777	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cscn1	728513360	YSCCZJSUGMQGTO-MRVPVSSYSA-N	309.322	1.511	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1cccc(C#N)c1	826113530	CPMGPBGUILBHQP-MISXGVKJSA-N	316.361	1.375	50	20	DDGD	
C[C@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1cccnc1	824384808	HPEUIIJDJDJNTB-LLVKDONJSA-N	323.360	1.899	50	20	DDGD	
CN(NC(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)C1CC1	824210364	CMAJEZUTHMTMKR-LLVKDONJSA-N	316.361	1.023	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)/C=C\c2cccc(O)c2)n1	492677268	SZHDBMMLRVVUKP-PLNGDYQASA-N	305.725	1.574	50	20	DDGD	
O=C(COC1CCCC1)NNc1ccc(-c2nn[nH]n2)cc1	826416657	JDAYIERIXYHHRL-UHFFFAOYSA-N	302.338	1.269	50	20	DDGD	
CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)NN(C)[C@H](C)CO	823959806	PVOQNNRRMPYSTE-IAQYHMDHSA-N	317.430	1.414	50	20	DDGD	
C/C(=C(/F)C(=O)NNC(=O)c1ccc2c(c1)OCCO2)C1CC1	827603765	BSINSBCAKPKFGW-ZROIWOOFSA-N	320.320	1.872	50	20	DDGD	
O=C(/C=C\C1CCOCC1)NN=c1nc(-c2ccccc2)[nH]o1	491798019	QPWIZSVBHKEBCU-SREVYHEPSA-N	314.345	1.584	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc2c(c1)nc(O)n2CC1CC1	822564019	USYMZXHJJZEGDU-SNVBAGLBSA-N	318.377	1.109	50	20	DDGD	
COc1cc(O)ncc1C(=O)NC[C@]1(C)C[C@@H]1Br	826859165	PFUITFHTZNROKE-CABZTGNLSA-N	315.167	1.699	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1C[C@]1(C)c1ccccc1	826076003	KKOSOJLGOOTFRC-HVOFVXBASA-N	317.389	1.472	50	20	DDGD	
COCCN(C)NC(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C	497132412	NRBPPOGWGGPFFT-WDEREUQCSA-N	303.403	1.145	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C[C@]1(C)CC1(Cl)Cl	822231583	YGRGDGKMEQCXTR-LLVKDONJSA-N	304.177	1.760	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cnn2c1CCCC2	826449463	ULGAYMJLCLBSRP-UHFFFAOYSA-N	324.348	1.156	50	20	DDGD	
CN(CCN1CCCC1=O)C(=O)/C(C#N)=C\c1ccc(F)cc1	490839228	CQSPWNTVPSKANP-KAMYIIQDSA-N	315.348	1.813	50	20	DDGD	
CC[C@@H](CNCc1ccc(B(O)O)o1)Oc1ccccc1Cl	585031124	RKTBPWREWOEOBV-NSHDSACASA-N	323.585	1.560	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)Nc2ccccc2)n[nH]1	907160197	BKEATZNYKDEVND-UHFFFAOYSA-N	301.350	1.370	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc2[nH]c3c(c2c1)CN(C)CC3	821218328	YQNUWTDUIPBPQN-LLVKDONJSA-N	316.405	1.113	50	20	DDGD	
COC[C@]1(CNC=C(C#N)C#N)CCCN1C(=O)OC(C)(C)C	495677629	QCABJTUXXADMJE-MRXNPFEDSA-N	320.393	1.923	50	20	DDGD	
Cn1nc(C(F)(F)F)cc1NC(=O)NNC(=O)C1CCC1	826135633	NWTMAPRBLXRCPY-UHFFFAOYSA-N	305.260	1.392	50	20	DDGD	
CN(NS(=O)(=O)N1CCCCCC1)C(=O)OC(C)(C)C	496828276	NQBIIVQZOKJBLS-UHFFFAOYSA-N	307.416	1.479	50	20	DDGD	
Cc1ccc([C@H](O)CNC(=O)[C@]2(C)C[C@@H]2Br)o1	907015838	GXUIUMSCZDYITB-UBHAPETDSA-N	302.168	1.911	50	20	DDGD	
CCCc1cc(C(=O)NNc2nc(-c3cccnc3)no2)n[nH]1	732111283	HNWQDELLXGLQGL-UHFFFAOYSA-N	313.321	1.564	50	20	DDGD	
COC(=O)NNC(=O)c1nn(CC(C)C)c(=O)c2ccccc12	490637237	ZWZSYNLPJJZAEK-UHFFFAOYSA-N	318.333	1.053	50	20	DDGD	
O=C(Cc1csc(-c2ccccn2)n1)NNc1cnccn1	734242416	FCGDOTONZWWCKR-UHFFFAOYSA-N	312.358	1.681	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C1CCCC1)C(=O)Nc1ccccc1	732592584	PVWNIPVUNAVHPF-NSHDSACASA-N	318.377	1.534	50	20	DDGD	
COc1cccc(OC)c1C(=O)NNC(=O)[C@@H]1CCCCO1	833251463	YCWPQQYRPAUZMT-LBPRGKRZSA-N	308.334	1.034	50	20	DDGD	
CN(C)c1ccc(C(=O)O)cc1C=NNC(=O)[C@H]1CCCCO1	901249952	LRPKALODCVNPLB-CQSZACIVSA-N	319.361	1.470	50	20	DDGD	
O=C(NN=C1CCOc2ccc(F)cc21)C(=O)N1CCCC1	731558469	VDMJDUJHFPRGEY-UHFFFAOYSA-N	305.309	1.051	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=S)Nc1ccccc1F	733948092	PQMXWFWACSTRPT-VIFPVBQESA-N	315.370	1.195	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NC[C@@H]1CCCC1(F)F	838673538	NDPHNIISEWVWGO-LURJTMIESA-N	303.231	1.705	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@@H](O)c1cccnc1	732285145	TYASVXZVDPGESO-LBPRGKRZSA-N	311.301	1.308	50	20	DDGD	
CCSc1ccccc1CC(=O)NNC(=O)c1cc(C)[nH]n1	907162097	SMNWIGVSUBJGQP-UHFFFAOYSA-N	318.402	1.834	50	20	DDGD	
CC[C@@H](C)n1ncc(NC(=O)c2ccc(B(O)O)c(F)c2)c1C	584981644	ZITSXQNJBNWVTR-SECBINFHSA-N	319.145	1.234	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)C[C@@H]1C[C@H]2CC[C@H]1O2	836538442	AAKAEVOCAXQCKK-NWANDNLSSA-N	318.373	1.561	50	20	DDGD	
CC(C)(NC(=O)[C@@H](Br)C(C)(C)C)c1cnn[nH]1	909721640	OLWPIMYQAJPIDO-MRVPVSSYSA-N	303.204	1.966	50	20	DDGD	
CSC(C)(C)C(=O)NNc1ccc(S(C)(=O)=O)cc1	830776851	YTJKPDCAGLTYGJ-UHFFFAOYSA-N	302.421	1.675	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2cnc(C3CC3)nc2O)c1	901168293	CNNZCBJTYPBMFX-UHFFFAOYSA-N	318.308	1.964	50	20	DDGD	
CCn1cc(C=NNC(=O)[C@H](C)CN2C[C@@H](C)O[C@H](C)C2)cn1	732528030	CUWARFIPICTTFF-MGPQQGTHSA-N	321.425	1.098	50	20	DDGD	
O=C(NNC(=O)c1csc2cncn12)c1ccccc1F	733875378	IKNGZIFKXRMKMK-UHFFFAOYSA-N	304.306	1.610	50	20	DDGD	
O=C(CN(CC[C@@H]1C[C@H]2CC[C@H]1C2)C1CC1)NNC(=O)C1CC1	733194236	CRGIBXOALIUKGK-AEGPPILISA-N	319.449	1.835	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)C1(C(F)(F)F)CCC1	831937337	PSCRUKFKFULKMI-UHFFFAOYSA-N	302.256	1.389	50	20	DDGD	
OB(O)c1ccccc1CNC[C@@H]1CCCC[C@H]1C(F)(F)F	585031002	ODMGMRPCSILKOF-WCQYABFASA-N	315.144	1.825	50	20	DDGD	
Cc1ccccc1C(=NNC(=O)[C@H](C)NS(C)(=O)=O)C1CC1	731926597	LTGKSZBCRHAZTA-NSHDSACASA-N	323.418	1.163	50	20	DDGD	
CCN(CC)CCC(=O)NN=c1c(=O)c2cccc3cccc1c32	916354859	LGFXOLAQKVETHY-UHFFFAOYSA-N	323.396	1.893	50	20	DDGD	
Cc1ccc2c(c1)C(=NNC(=O)Cc1cc(O)nc(O)n1)CC2	743446466	VTJQQEJBORPGQL-UHFFFAOYSA-N	312.329	1.205	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](C(C)C)N(C)C)cc1F	837050835	VKYRNXQYPNTXFK-ZDUSSCGKSA-N	311.357	1.642	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cccc(OC[C@H]2CCCO2)c1	910174581	GCXADTYXUXKGTQ-SWLSCSKDSA-N	308.378	1.202	50	20	DDGD	
NS(=O)(=O)C1(C(=O)NNc2ccc(Cl)cc2Cl)CC1	845854985	FGEALYITXJLYFV-UHFFFAOYSA-N	324.189	1.258	50	20	DDGD	
CCCNC(=O)NNC(=O)c1nc(F)ccc1Br	847394235	LDRUOISBGDYDDP-UHFFFAOYSA-N	319.134	1.337	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCc1nc2ccccc2o1	747599028	KHCWTNNBTWUUTP-UHFFFAOYSA-N	312.329	1.560	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@@H]1CCCCO1)c1cccs1	840775599	RAQDJEGUTQLGDZ-ZJUUUORDSA-N	313.448	1.874	50	20	DDGD	
COc1nc2sccn2c1C=NNC(=O)c1ccc(N)cc1	744555134	DNPWCNIBAUPNQL-UHFFFAOYSA-N	315.358	1.751	50	20	DDGD	
COCC(=NNC(=O)CSc1nc(C)cc(C)n1)C(C)C	741454165	XXVLWIGUIVOVSS-UHFFFAOYSA-N	310.423	1.960	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@H](C)c2ccco2)c1	741659191	CNZHQFYTANUWMH-GFCCVEGCSA-N	302.330	1.918	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1ccc(O)c(O)c1	916364993	YXHORVWODMLOSM-GFCCVEGCSA-N	305.378	1.670	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)NCCC2CC2)c1	743686541	JJNLYDOELYPVEO-UHFFFAOYSA-N	307.350	1.448	50	20	DDGD	
COc1ccc(Cn2nnc(C(=O)NN(C)C3CC3)c2C)cc1	846267980	GJNRLELWPVIUGP-UHFFFAOYSA-N	315.377	1.382	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@H](C)Cc2cnc[nH]2)o1	847402399	CKUUSEBSBWGWBP-SECBINFHSA-N	302.338	1.715	50	20	DDGD	
CCc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843653851	FXKNTFQHYKIMQU-RUAUBTSSSA-N	316.401	1.925	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@H](C)CN2CCOCC2)c(F)c1	844568846	IATZXRCVYAUFBM-GFCCVEGCSA-N	323.368	1.253	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2COCc3ccccc32)n1	842189664	HLJRNRAYGRECBY-CQSZACIVSA-N	313.361	1.991	50	20	DDGD	
Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NN)cc2)cc1C	917371574	GTYRHDYYHMDCHT-UHFFFAOYSA-N	319.386	1.708	50	20	DDGD	
COC(=O)C12CC(C(=O)NNC(=O)Nc3ccccc3C)(C1)C2	843876815	UPAIUQAJYYUFRP-UHFFFAOYSA-N	317.345	1.491	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2cccc(OC(F)F)c2)c2ncnn21	841624833	XTZUZSCGKRRRCO-QMMMGPOBSA-N	321.287	1.978	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@H]2CCC(=O)C2)cc1	843752323	PXNAHXCETVMXQP-JTQLQIEISA-N	321.402	1.772	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)n1	848675217	UGXBILUDMHRPQU-CHWSQXEVSA-N	319.409	1.733	50	20	DDGD	
CCC(=NNC(=O)CNC(=O)c1ccco1)C1CCOCC1	745197931	WPKLATFRRAJWAJ-UHFFFAOYSA-N	307.350	1.318	50	20	DDGD	
Cc1nn(C)c(C)c1[C@H](C)C(=O)NNC(=O)CC1CCCC1	749940701	GANBQHAKMNQOKZ-JTQLQIEISA-N	306.410	1.868	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3ncccn3)n[nH]2)cc1	743309931	UBNWOVVOUYLZLR-UHFFFAOYSA-N	322.328	1.250	50	20	DDGD	
CCc1c(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cnn1C(C)(C)C	843648528	XVZKIDUUQUBORK-MNOVXSKESA-N	322.409	1.387	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1CCCc2ccc(OC)cc21	847285371	JESNITDKHRLBIG-ZDUSSCGKSA-N	319.430	1.796	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1c(C)[nH]c(C(=O)OCC)c1C	920822372	KJPZPKNBKOVCGE-UHFFFAOYSA-N	324.381	1.552	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c2ccccc21	843971492	BMBBWJCEOPSDIA-VXGBXAGGSA-N	315.373	1.847	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1nc(Cl)ccc1Cl	843640477	NUVVXLOKMAUXBR-RQJHMYQMSA-N	318.160	1.574	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCC1CC2(C1)OCCO2	927089920	JFLNUQBLSDDREE-UHFFFAOYSA-N	309.341	1.913	50	20	DDGD	
NC(=O)c1ccc(CC(=O)NNc2ncccc2Cl)cc1	754228580	RPAGQMOZPRUBKY-UHFFFAOYSA-N	304.737	1.520	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H](C)[C@@H]2CCOC2)c1C	853785570	FISIPHKIGATCLC-VXGBXAGGSA-N	321.377	1.833	50	20	DDGD	
C[C@@]1(CNC(=O)N2CC[C@](C)(CN)C2)C[C@@H]1Br	857105623	OJIUZFHUPAPBMZ-WCQGTBRESA-N	304.232	1.540	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@H](O)CCc1ccccc1	855090812	QQUJYFYGRZMHPY-CQSZACIVSA-N	321.446	1.276	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)C(=O)Nc1cccc(F)c1F	753935514	LVKRWZDRBNKUMZ-UHFFFAOYSA-N	319.267	1.365	50	20	DDGD	
C=CCCSCCNC(=O)NNC(=O)c1cccc(C)n1	852292488	DFFMMDUKJKODPM-UHFFFAOYSA-N	308.407	1.643	50	20	DDGD	
CCOCCCN1CCC(=NNC(=O)c2cc[nH]n2)[C@H](C)C1	853392484	MYUITCGCJZWKCD-GFCCVEGCSA-N	307.398	1.264	50	20	DDGD	
CCc1nc2c(s1)C(=NNC(=O)C(=O)N1CCCC1)CCC2	756832176	DBMAAKFURVCYPM-UHFFFAOYSA-N	320.418	1.485	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCc2ccccc2)c(C(F)F)n1	755135186	RDNCLNPDZZAEOL-UHFFFAOYSA-N	322.315	1.752	50	20	DDGD	
COc1ccccc1CC(=O)NN=C(C)c1csc(N)n1	920375965	KBFCLSYLXCVZOR-UHFFFAOYSA-N	304.375	1.817	50	20	DDGD	
CCn1nc(C(=O)NN=C(C)COC)c2ccccc2c1=O	750921560	GISYHEAMXWEBAK-UHFFFAOYSA-N	302.334	1.169	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC[C@H](C)OC)c1C	853641283	JJZUVWAQNWFSEH-JTQLQIEISA-N	309.366	1.833	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)Cc2ccccc2O)CC[C@@H]1C(=O)O	853401105	VUNCPWHPEIOMBN-MFKMUULPSA-N	304.346	1.928	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)c2[nH]c(C)nc2C)cc1	857296450	UMOHCSBDNBEUQP-UHFFFAOYSA-N	302.334	1.499	50	20	DDGD	
Cn1ncc(C2CC2)c1CNC(=O)NNc1ncc(Cl)cn1	856921894	OSQAVNRTXLDRTP-UHFFFAOYSA-N	321.772	1.567	50	20	DDGD	
O=C(CN1CCCNC1=O)NNc1cc(F)cc(Cl)c1	855619998	ZNJFBDRJNAVDTE-UHFFFAOYSA-N	300.721	1.338	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)Cc1ccc(O)cc1	751200718	SWNMMBYANGFZGB-UHFFFAOYSA-N	318.304	1.300	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@H]1CCN2CCC[C@@H]2C1	856839964	MQNRHHOVISYGRE-WDEREUQCSA-N	310.789	1.383	50	20	DDGD	
CCOc1cc2c(cc1NC(=O)NNC(=O)CC)O[C@H](C)C2	755575052	WVCKJFWIHRJVTO-SECBINFHSA-N	307.350	1.971	50	20	DDGD	
CCOC(=O)NC1CCC(=NNC(=O)N2CCOCC2)CC1	853296080	AFFIVIYLQJUCKW-UHFFFAOYSA-N	312.370	1.073	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)c2ccc3ccccc3n2)co1	753981195	JQIWBCFFFIQSLF-UHFFFAOYSA-N	310.313	1.860	50	20	DDGD	
O=C(NNC(=O)N1CCC2(CCC2)CC1)c1cccc(F)n1	852710745	VVCLGKXDWHYFIQ-UHFFFAOYSA-N	306.341	1.841	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)C2(C)CCC2)c1	750533213	NCYZJZCZSBLFDS-UHFFFAOYSA-N	304.346	1.489	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)c1ccc(F)cn1	751872516	ZVJOIDPQWQLJJS-UHFFFAOYSA-N	321.333	1.480	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NN=Cc1ccc[nH]1	853371653	AIRUBKKZNXFNOR-CHWSQXEVSA-N	301.350	1.366	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)C(F)(F)c1nccs1	855089541	VQWXRYXJMMPTOG-UHFFFAOYSA-N	320.390	1.530	50	20	DDGD	
Cn1c(C(=O)NNc2ccc(C#N)c(Cl)c2)cccc1=O	753306447	NEWCPHGEFGNPKM-UHFFFAOYSA-N	302.721	1.667	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccc(C)o2)c(OC)n1	756248450	MDOXROFNAFZIAY-UHFFFAOYSA-N	320.305	1.467	50	20	DDGD	
CC(=NNC(=O)c1nnc(-c2ccccc2)o1)c1nccn1C	755664098	HORKOSMRJGPOGE-UHFFFAOYSA-N	310.317	1.624	50	20	DDGD	
COC[C@@](C)(NC(=O)NNc1ncncc1F)C(F)(F)F	932332204	WJIVNTANOAMUJX-SECBINFHSA-N	311.239	1.209	50	20	DDGD	
Cc1cc(OC(C)C)ccc1NC(=O)C(=O)NNC(=O)C(C)C	763820213	JGYNAMUPFRXVSO-UHFFFAOYSA-N	321.377	1.524	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1ccc(C)cc1O	767181087	YGLVITMSNCZMPK-CYBMUJFWSA-N	319.405	1.509	50	20	DDGD	
Cc1nn(CC(F)F)c(C)c1C(=O)NNC(=O)CC(C)(C)C	761072833	TUFPKHKUHBSHFF-UHFFFAOYSA-N	316.352	1.962	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1nc2ccccc2[nH]1)C(C)C	768495683	NSAMKILZCXJYQO-NSHDSACASA-N	305.338	1.387	50	20	DDGD	
Cc1oc(-c2cccs2)nc1C(=O)N1CC[C@@H](B(O)O)C1	864234732	UUPYCLKDRPSMPY-SECBINFHSA-N	306.152	1.400	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=C2CSCCc3ccccc32)N1	863148188	VZVGFTRMXBQFDC-LBPRGKRZSA-N	303.387	1.075	50	20	DDGD	
CCC1(CC)C(=NNC(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1OC	762605729	YBUZQGQPEYPIAH-CMPLNLGQSA-N	316.423	1.118	50	20	DDGD	
CC(Cc1ccncc1)=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1	767760497	YJBFIDKYBRDHAN-UHFFFAOYSA-N	313.317	1.920	50	20	DDGD	
CCCCN(C)C(=O)CSCC(=O)NNC(=O)C(C)(C)C	764974988	LTBRDLGCLOQKOD-UHFFFAOYSA-N	317.455	1.172	50	20	DDGD	
Cn1nc(C2CCOCC2)cc1NC(=O)NNc1cnccn1	861517051	DXKFGOJGLQWLGT-UHFFFAOYSA-N	317.353	1.253	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccc(Cn2cncn2)cc1	760914935	ZMTWOIVAGDBWPJ-UHFFFAOYSA-N	313.296	1.012	50	20	DDGD	
CCn1c(NNC(=O)[C@H]2CCSC2)nc2ccccc2c1=O	761867764	YWDFWGAKAJOIEY-JTQLQIEISA-N	318.402	1.613	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)CC(F)(F)F)c1C	764111920	IDRZPSYRSLKCEV-UHFFFAOYSA-N	317.267	1.342	50	20	DDGD	
COc1cc(NC(=O)NNc2cnccn2)ccc1NC(C)=O	769957175	BFUGQYYXIQACDI-UHFFFAOYSA-N	316.321	1.592	50	20	DDGD	
COCc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1F	869067942	KKHFXBHTWWUKKJ-CABZTGNLSA-N	310.325	1.158	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)ns1	767409498	GKSJGMBWEFULDY-UHFFFAOYSA-N	305.315	1.255	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1C[C@@H](OC(C)C)C1(C)C	764908867	PHPDUFSOSIQVGH-WCQYABFASA-N	300.399	1.734	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1NC	765412921	ATKUCSRADLAWTC-UHFFFAOYSA-N	309.326	1.381	50	20	DDGD	
O=C1NCC[C@@]1(C(=O)NNc1cccc(F)c1)C1CCCC1	860317468	XPKUSPHVKZXSHN-MRXNPFEDSA-N	305.353	1.965	50	20	DDGD	
Cc1cccc(NNC(=O)c2cnc(C3OCCO3)s2)n1	862520112	GSYSNOWELSHBTA-UHFFFAOYSA-N	306.347	1.649	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1ccc(O)c(Cl)c1	869068394	PMCQMCNHBYNSHP-WPRPVWTQSA-N	312.753	1.161	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NOCC(F)(F)F)c1ccccc1	765766969	CWWSZGSJKGQJGZ-UHFFFAOYSA-N	319.283	1.789	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccccc1Cn1ccnc1	875033185	BUJBPLUCLSFLKS-UHFFFAOYSA-N	317.349	1.344	50	20	DDGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)C2CC(=O)C2)cc1	874949268	JFTIZKKWUNZJOJ-UHFFFAOYSA-N	321.402	1.771	50	20	DDGD	
C[C@@H](C(=O)NNc1ccccn1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	777475291	YRLXDUCJSOZUNW-SDDRHHMPSA-N	316.361	1.088	50	20	DDGD	
CC(=NNC(=O)c1c(C)nc2ccccn12)c1cnn(C)c1C	778537798	BTCXFSUNQBVUDF-UHFFFAOYSA-N	310.361	1.839	50	20	DDGD	
CNc1ccc([N+](=O)[O-])cc1C(=O)NNc1cccc(OC)n1	1116514735	OCRVVEFJFYDOSF-UHFFFAOYSA-N	317.305	1.797	50	20	DDGD	
CCCCCCOCC(=O)NNC(=S)Nc1ccccn1	874956686	LNWCPYURKMMXEN-UHFFFAOYSA-N	310.423	1.996	50	20	DDGD	
CN(C)[C@@H]1CCCC[C@@H]1NC(=O)NNc1ncncc1Cl	1116688032	HNDAROJHTJPASO-WDEREUQCSA-N	312.805	1.629	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NNC(=O)NC)cc1C(C)C	872341470	BETDHCAPAPWWTH-UHFFFAOYSA-N	315.395	1.331	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)c2ccc(F)cc2F)n[nH]1	1116304434	MBHHHDBVRDJVNO-MRVPVSSYSA-N	308.288	1.561	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@@H]2CCC=CO2)c1C	777840875	OXSCBJKRTKYKFC-ZFWWWQNUSA-N	318.373	1.911	50	20	DDGD	
COCCc1ncc(C=NNC(=O)Cn2nc(C)cc2C)s1	872334786	NEVNSKROHKRGJX-UHFFFAOYSA-N	321.406	1.296	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H](C[C@H](C)O)c1ccccc1	875375732	ABAPBURQXFICLP-WCQYABFASA-N	309.366	1.454	50	20	DDGD	
C[C@H](C(=O)NNC(=S)Nc1cccc(Cl)c1)N(C)C	873786512	WFRXZAJHMVPTSO-MRVPVSSYSA-N	300.815	1.608	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1ccc(F)cn1	770614830	GXRWKPVCXFJJPD-UHFFFAOYSA-N	301.281	1.095	50	20	DDGD	
CN(NC(=O)c1cc(Br)ncc1Cl)C(N)=O	779830609	XILNWYBHLIXYAY-UHFFFAOYSA-N	307.535	1.153	50	20	DDGD	
C=Cn1cc(C=NNC(=O)CSc2nc(C)cc(C)n2)cn1	772994956	AJBKYCIZFMMZLU-UHFFFAOYSA-N	316.390	1.633	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2c(Cl)n1)NC1CC1	772756325	COVJBSMCPHBSDI-UHFFFAOYSA-N	304.737	1.995	50	20	DDGD	
CCOCC(C)=NNC(=O)C(=O)NCc1ccc(Cl)cc1	771566978	FJSWGLPTZJSRNF-UHFFFAOYSA-N	311.769	1.485	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C23CCCN2CCC3)cc1	1118334249	OQYNRULPRPTFSF-UHFFFAOYSA-N	317.389	1.474	50	20	DDGD	
CCn1cc(-c2n[nH]cc2C(=O)NNc2cc(C)ncn2)cn1	779377555	OFNWQVSXTIBLBU-UHFFFAOYSA-N	312.337	1.148	50	20	DDGD	
CCOc1ccc(NNC(=O)Cn2ccc(C(=O)OC)n2)cc1	880122121	TXZFXOQTQVMGCE-UHFFFAOYSA-N	318.333	1.212	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCc1nnnn1CC1CC1	771376907	ZNDGZXHBFYKDGE-UHFFFAOYSA-N	319.344	1.357	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](OC)c1cccc(OC)c1	887151924	ORBOLMDVJDZHOD-HNNXBMFYSA-N	304.346	1.334	50	20	DDGD	
C[C@@H]1C[C@@H](C)CN(C[C@@H](C)NS(=O)(=O)CCCCl)C1	881981975	PEDULMKPVULFJN-JHJVBQTASA-N	310.891	1.901	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1CCC1	778710355	HNUNINUBMVGZPK-SECBINFHSA-N	314.386	1.030	50	20	DDGD	
CN(NC(=O)c1cc(OCc2ccccc2)ccc1O)C(N)=O	778412330	MSHFCUYOZUPQIS-UHFFFAOYSA-N	315.329	1.627	50	20	DDGD	
C#CCCCC(=O)NNC(=O)/C(=C/c1cccs1)NC(C)=O	887150657	RUGXTHUQNRGUPY-RAXLEYEMSA-N	319.386	1.176	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(C2CC2)nc2onc(C)c12	770548230	DCAKMZJZFQSRBV-UHFFFAOYSA-N	317.349	1.715	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccc(F)cc1	1122050310	RBCCOPJOPIKUNJ-BREBYQMCSA-N	309.341	1.642	50	20	DDGD	
COc1ccc(NNC(=O)COc2ccccc2C=O)nc1	781526936	KHGUJBQAZJBUQV-UHFFFAOYSA-N	301.302	1.425	50	20	DDGD	
CC[C@H](CC(F)(F)F)NC(=O)NNC(=O)C1CCOCC1	883570869	PDYISFXVYAMDQB-SECBINFHSA-N	311.304	1.474	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1nc(SC)ncc1Cl	780710876	ZDMXEMBTFDIPGX-UHFFFAOYSA-N	303.775	1.158	50	20	DDGD	
COC(=O)Nc1ccc(NC(=O)NN=c2cc[nH]cc2)cc1	781027969	ARYQNFLWQCJHNC-UHFFFAOYSA-N	301.306	1.830	50	20	DDGD	
CC[C@H](C)[C@@H](C)C(=O)OCC(=O)NNC(=O)c1ccccc1	780242673	OBHHHGKWHLCXQB-NWDGAFQWSA-N	306.362	1.673	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1CCOC2(CCC2)C1	888880780	IZUSUYQFWCJEMK-GFCCVEGCSA-N	318.373	1.806	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CCc2ccc(O)nc2)cc1	787270159	FZKZNRCYNCXCJQ-UHFFFAOYSA-N	310.313	1.053	50	20	DDGD	
O=S(=O)(CCCCCl)NCCCOCC(F)(F)F	780694845	JDOWOEAFFGJRDM-UHFFFAOYSA-N	311.753	1.894	50	20	DDGD	
C[C@H](c1ccccc1)[C@](C)(O)C(=O)NNC(=S)NC(C)(C)C	899995955	CHYDXRHYIQBYOG-BZNIZROVSA-N	323.462	1.835	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CN(C)[C@@H]2CCSC2)c1	780796825	KYMMXWLLPORGDC-CYBMUJFWSA-N	323.418	1.354	50	20	DDGD	
Cc1ccncc1NC(=O)C(=O)NNc1cccnc1Cl	784839170	PLMJBABRKTZSPX-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1CCC(=O)c2ccccc21	785954766	FCUAGHYUMPPZHZ-CYBMUJFWSA-N	303.362	1.877	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cc(O)cc([N+](=O)[O-])c1	780396022	VXKFVZNYLMSCOR-UHFFFAOYSA-N	307.184	1.014	50	20	DDGD	
CCC[C@H]1C[C@@H](C(=O)NNc2ccnc(N(C)C)n2)CCO1	780539830	PQNNDXXCTMKWLS-RYUDHWBXSA-N	307.398	1.581	50	20	DDGD	
CCN(CCS(C)(=O)=O)C[C@@H](CBr)C1CC1	701842547	GYPBCXVHFJZDDZ-LLVKDONJSA-N	312.273	1.774	50	20	DDGD	
O=S1(=O)CCCN(C[C@@H](CBr)C2CC2)CC1	701838804	SPMDDSSFJWSCTF-LLVKDONJSA-N	310.257	1.528	50	20	DDGD	
O=C(Cc1ccc2n[nH]cc2c1)NNc1ncccc1[N+](=O)[O-]	795175513	OXRFXTYFQKSXCF-UHFFFAOYSA-N	312.289	1.552	50	20	DDGD	
CCNC(=O)N(C)N=Cc1c(Br)c(C)nn1C	790298081	TXBSNSFZAVFUBY-UHFFFAOYSA-N	302.176	1.486	50	20	DDGD	
O=C(NCC(C1CC1)C1CC1)NNc1nc2ccccn2n1	790402712	GRZWXKCTQGKVRB-UHFFFAOYSA-N	300.366	1.792	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H](C)CCC(=O)OC(C)C)n1	792302857	YPULQACPQUEWSM-JTQLQIEISA-N	323.397	1.840	50	20	DDGD	
CSSCCNS(=O)(=O)c1cccc2c1OCO2	790348560	HQGFXAUFEQZDAD-UHFFFAOYSA-N	307.418	1.705	50	20	DDGD	
CC(C)N1CCN(CCCOC(=O)/C(C#N)=C/C2CC2)CC1	792221491	UYRXBOVBWYNXPK-FOWTUZBSSA-N	305.422	1.806	50	20	DDGD	
COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NNC(C)=O	792264460	OVFCDXZZSZQJPO-UHFFFAOYSA-N	320.132	1.108	50	20	DDGD	
C[C@H]1C[C@@H](c2ccccc2)N(CC(=O)NNC(=O)C2CC2)C1	796621660	MJGDOKCOYFZMQZ-WFASDCNBSA-N	301.390	1.627	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(C(C)(C)C)nn1)c1cnn(C)c1	1318961989	PPSASJGWWHDULU-JTQLQIEISA-N	302.382	1.754	50	20	DDGD	
CC[C@H](NC(=O)CCl)c1ccccc1OCC(=O)N(C)C	1319682519	LVOKRPSCLORYFH-LBPRGKRZSA-N	312.797	1.960	50	20	DDGD	
O=C(NC[C@@H]1CCC=CO1)NNC(=O)c1ccccc1Cl	1325946217	GEJVVEZGBWDOBW-JTQLQIEISA-N	309.753	1.977	50	20	DDGD	
Cc1cc(C)cc(CCNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	1326733270	MOHFSXQGWJRFGP-DZGCQCFKSA-N	319.405	1.601	50	20	DDGD	
COCCn1cc(NC(=O)NNc2ncccc2C)ccc1=O	1320723845	YVWJABDPINRSCB-UHFFFAOYSA-N	317.349	1.347	50	20	DDGD	
COc1nccnc1NNC(=O)C1(Oc2ccccc2)CC1	1325491657	YEIBWWXZXBBKKF-UHFFFAOYSA-N	300.318	1.540	50	20	DDGD	
Cc1nnsc1C(=O)NNc1nnc(-c2ccccn2)s1	1320739016	YBDWEABTIPOMSX-UHFFFAOYSA-N	319.375	1.517	50	20	DDGD	
CN(C)c1ncccc1C=NNC(=O)Cc1cn2ccccc2n1	1323313389	ZZFOXPIVRSVSCN-UHFFFAOYSA-N	322.372	1.488	50	20	DDGD	
COc1cccc(SCC(=O)NNC(=S)NC(C)C)c1	1322797545	WKZXOVWEUJMVDF-UHFFFAOYSA-N	313.448	1.691	50	20	DDGD	
Cc1cc(F)ccc1CCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	1326749425	MPGHUDQWJGEPPV-RISCZKNCSA-N	323.368	1.432	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)NCCC2CCC2)C[C@H]1Br	1330962490	USIPBXFBPANLOW-ZWNOBZJWSA-N	317.227	1.583	50	20	DDGD	
Cc1nc(-c2cnn(C)c2)sc1C(=O)NNc1ccn(C)n1	1256184089	KEKGXVKRSWUDCZ-UHFFFAOYSA-N	317.378	1.342	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(C)n(Cc2ccco2)c1C	1332364966	DYHMHUANIWFYIU-UHFFFAOYSA-N	305.378	1.705	50	20	DDGD	
COC(COCCNC(=O)c1cccc(CCl)c1)OC	1335876821	KJMDCDWYDSNNCL-UHFFFAOYSA-N	301.770	1.791	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CSCc2cccs2)n[nH]1	1341313164	ZATALEJNTLRJHM-UHFFFAOYSA-N	310.404	1.474	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1csc(-c2ccco2)n1	1261497642	GNWCWTXVOPMPDY-IUCAKERBSA-N	321.358	1.589	50	20	DDGD	
N#Cc1cccc(C2(C(=O)NNC(=O)c3ccccc3O)CC2)c1	1340780826	GFAGSPINCCMLCM-UHFFFAOYSA-N	321.336	1.757	50	20	DDGD	
C[C@]1(COC(=O)c2cc3n(n2)CCO3)C[C@H]1Br	1345266052	NXHQKOQEUKVFNJ-LDYMZIIASA-N	301.140	1.606	50	20	DDGD	
CC1(C)C[C@@H](C(=O)NNC(=O)Cc2ccccc2F)CCO1	1357896669	FOKJBYCBFUGPIU-LBPRGKRZSA-N	308.353	1.721	50	20	DDGD	
CS(=O)(=O)N[C@H]1CCCN(C(=O)C2CCC(Cl)CC2)C1	1521715500	NHZBNOSZVFLKOA-MCIGGMRASA-N	322.858	1.324	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)ccc1F	1602286514	JQLDNQKXNDFWPX-SFGNSQDASA-N	306.293	1.582	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cc2cccc(C(=O)O)c2)cc1	1608200988	UZKZPDIMHCCQBM-UHFFFAOYSA-N	323.308	1.260	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNc1cccc(-c2nn[nH]n2)c1	1603998956	HKXBRLSDKFLFQJ-SKDRFNHKSA-N	304.354	1.371	50	20	DDGD	
Cc1oc(-c2nn[nH]n2)cc1C(=O)NNc1cccc(F)c1F	1609468179	JGYPCZADVJSBFZ-UHFFFAOYSA-N	320.259	1.803	50	20	DDGD	
N#CC(C#N)=CNc1ccc(-c2nn[nH]n2)c(Br)c1	1609494268	ZXWIXOSSKSBQRP-UHFFFAOYSA-N	316.122	1.972	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@@H]1CCn2cncc2C1	1602230620	NCYUFFWOBPJQTK-SECBINFHSA-N	318.308	1.426	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)c1cn2c(n1)CCC2	1601556852	MQAHWJNOQGQDTB-UHFFFAOYSA-N	304.281	1.424	50	20	DDGD	
Cc1cc([N+](=O)[O-])cc(C(=O)NNc2ncccc2C(=O)O)n1	1605225435	ZONWXKAJXSGQAZ-UHFFFAOYSA-N	317.261	1.148	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNc1ccc(C(=O)O)cn1	1605505400	JBTVURWXIDPEMS-UHFFFAOYSA-N	309.322	1.202	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1ccc(Br)s1	1608754698	YTOZEOXRNSJCDA-UHFFFAOYSA-N	306.141	1.228	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H](O)C2CCCCC2)cc1F	1602382547	PZPDVRMHYIATKR-ZDUSSCGKSA-N	310.325	1.908	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2ccc(C(=O)O)c(Cl)c2)CN1	1609035735	MQYOPGUUBFPIEV-SSDOTTSWSA-N	311.725	1.008	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)/C=C/c2ccc(C(=O)O)o2)n1	1601220286	GOZFOURXUQAWEI-DUXPYHPUSA-N	323.696	1.160	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@H]2CCc3nncn3CC2)c1	1602448086	MJNASPTYKQWLBO-SNVBAGLBSA-N	315.333	1.072	50	20	DDGD	
O=C(/C=C\c1cc(C(=O)O)co1)NN=c1cc[nH]cc1Cl	1601235064	KAPRYVRBWAZFDR-UPHRSURJSA-N	307.693	1.605	50	20	DDGD	
O=C(O)CC[C@@H](NCc1cccc(B(O)O)c1)c1ccccc1	1601973084	VOINBLHCMZLWKE-MRXNPFEDSA-N	313.162	1.062	50	20	DDGD	
Cn1cnc2cc(C(=O)NNc3ncccc3C(=O)O)ccc21	1605519791	QTMWNKPSPCEJQL-UHFFFAOYSA-N	311.301	1.423	50	20	DDGD	
COc1cccc(F)c1C(=O)NNc1ccc(C(=O)O)cn1	1610359094	QIEVGRQVQFIPMJ-UHFFFAOYSA-N	305.265	1.684	50	20	DDGD	
COc1cc(F)cc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)c1	1549314201	JSTSZNHERLQBRM-DZGCQCFKSA-N	321.352	1.148	50	20	DDGD	
CCn1ccnc1[C@H](C)NC(=O)NNc1cccc(C(=O)O)c1	1610085896	WAKVWRKBHSRBKC-JTQLQIEISA-N	317.349	1.989	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=CCCCC(=O)O)n1	1611140631	VPDNKAHLWVIYQO-UHFFFAOYSA-N	310.379	1.542	50	20	DDGD	
CCc1ncc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)s1	1549316458	GOXKUOPQHCNMBM-JQWIXIFHSA-N	308.407	1.019	50	20	DDGD	
CN1CCC(=NNC(=O)[C@@H]2CCCO[C@@H]2c2ccccc2)C1=O	1549084328	RJUJWXDVFOIZDT-UKRRQHHQSA-N	315.373	1.489	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNc2nc(C)cc(C)n2)c1	1611133243	QAGHVUDMMAEDRJ-UHFFFAOYSA-N	300.318	1.857	50	20	DDGD	
O=C1NCCC12CCN(CCI)CC2	1119324218	RWZNCBQFLFOZBV-UHFFFAOYSA-N	308.163	1.024	50	20	DDGD	
C[C@@H](NNC(=O)c1csc(-c2nn[nH]n2)c1)C(F)(F)F	1589977441	YXJSATIEMLHVQD-SCSAIBSYSA-N	306.273	1.113	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NNc1cccc(F)c1C(=O)O	1589815369	MZSAJHNYRBMRTF-NSHDSACASA-N	309.341	1.840	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H](CN)C2CCCCCC2)nc1	1580069929	KLSXDJPYKLBZSR-AWEZNQCLSA-N	301.394	1.942	50	20	DDGD	
C[C@](CNC(=O)NNc1ncccn1)(C(=O)O)c1ccccc1	1589056264	LNDHPTHDUVVWGK-OAHLLOKOSA-N	315.333	1.145	50	20	DDGD	
O=C(O)C1=NO[C@@H](C(=O)NNc2ccc(Cl)cc2F)C1	1594889811	MLKJIWJOYIYTNO-SECBINFHSA-N	301.661	1.152	50	20	DDGD	
Cc1oncc1C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843363211	VDOLUBVGELQQBO-JTQLQIEISA-N	315.732	1.334	50	20	DDGD	
CN(CC(=O)NNc1ncccc1C(=O)O)c1ccccc1	1593719069	MEOWMDOIXDRQME-UHFFFAOYSA-N	300.318	1.359	50	20	DDGD	
Cc1cc(=NNC(=O)Nc2ccccc2CC(=O)O)cc[nH]1	1594325251	LACGFUDMZFDNFH-UHFFFAOYSA-N	300.318	1.588	50	20	DDGD	
C[C@@H]1CCNC[C@@H]1NC(=O)NNc1ccc(C(=O)O)c(F)c1	1594438901	ISTAXJPONKBLAO-PELKAZGASA-N	310.329	1.148	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1ccc(Cl)c(C(=O)O)n1	1596509252	FFVOTXGJKGZKRP-VURMDHGXSA-N	309.709	1.493	50	20	DDGD	
CCCNC(=O)/C(C#N)=C\c1c(F)cc(-c2nn[nH]n2)cc1F	1590634929	QFPAOUJOXYQIGJ-WTKPLQERSA-N	318.287	1.578	50	20	DDGD	
Cc1nsc(C=NNC(=O)c2ccc(O)nc2)c1C(=O)O	1776094685	GKJFHNUOGYOHHV-UHFFFAOYSA-N	306.303	1.014	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccc(O)nc2)ccc1C(=O)O	1776094735	JLGWMJCRGDBFEH-UHFFFAOYSA-N	315.285	1.258	50	20	DDGD	
COc1ccc(O)c(C=NNC(=O)c2ccc(C(=O)O)cc2)c1	1776099199	UQPGTUOIGVUYPM-UHFFFAOYSA-N	314.297	1.863	50	20	DDGD	
Cn1ncc(C(=O)O)c1/C=C(/C#N)C(=O)Nc1ccccc1F	1776116247	VFJPBCQMKFHRGT-TWGQIWQCSA-N	314.276	1.803	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2cccs2)n[nH]1)c1ccon1	151093704	XEKLXSHTTCNXIT-UHFFFAOYSA-N	303.303	1.201	50	20	DDGD	
O=C(Cn1c(=O)cnc2ccccc21)NNc1ccccc1F	153306782	HBCDEOQJPVUSLA-UHFFFAOYSA-N	312.304	1.679	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CSc2ccc(F)cc2)[nH]n1	153326726	HXKXKJIACXQMAH-UHFFFAOYSA-N	308.338	1.411	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)NCc1ccc(Cl)cc1	153546139	CMKMNARUBDPPRJ-SNVBAGLBSA-N	313.785	1.986	50	20	DDGD	
NC(=O)c1c[nH]c(C(=O)NNc2ccc(C(F)(F)F)cc2)c1	153800266	OWCJKQIVHWIQQN-UHFFFAOYSA-N	312.251	1.889	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1cccc(CC(F)(F)F)c1	156134147	UMDONDLDXNIJTL-UHFFFAOYSA-N	318.299	1.506	50	20	DDGD	
CCN1CCN(CCC(=O)NNc2ccc(C#N)cc2)CC1	155297224	NVNHPXJRZBGQPA-UHFFFAOYSA-N	301.394	1.029	50	20	DDGD	
Cn1ccnc(NNC(=O)C(C)(C)c2ccccc2Cl)c1=O	156257800	MWYXBSVFBHGJRF-UHFFFAOYSA-N	320.780	1.855	50	20	DDGD	
CCNC(=O)c1ccc(NC(=O)NNc2ncccn2)cc1	156438817	XWIOIMQGLZRYID-UHFFFAOYSA-N	300.322	1.375	50	20	DDGD	
Cc1cc([C@@H]2CCCN2S(=O)(=O)CBr)on1	127192770	ZJMHPLYGGRUPEF-QMMMGPOBSA-N	309.185	1.802	50	20	DDGD	
O=S(=O)(c1ccc(CCl)cc1)N1CCC(CO)CC1	311407049	XHPWNXKRSONGOH-UHFFFAOYSA-N	303.811	1.818	50	20	DDGD	
CC[C@@H](NS(=O)(=O)c1ccc(CCCl)cc1)[C@@H](C)O	387363568	WPJFGPNLEDGEKR-ZWNOBZJWSA-N	305.827	1.906	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCCO2)c1ccc(F)cc1	6338294	CSWFDUPYBZSSHX-UHFFFAOYSA-N	316.288	1.672	50	20	DDGD	
C=C(C)CNC(=S)NNC(=O)COc1ccc(C)c(C)c1	7556316	KTHDNGLSBHWYAK-UHFFFAOYSA-N	307.419	1.754	50	20	DDGD	
CCN(CC(=O)NNC(=O)Cc1cccnc1)c1ccccc1	103456635	RJIBOCVGQWGEQV-UHFFFAOYSA-N	312.373	1.298	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Cc1ccccc1Cl	103425293	UQHQKLAVGPFUMB-UHFFFAOYSA-N	303.749	1.668	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccccc2-n2cccn2)n1	52582166	XISMMGZOJBXQEG-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
CCc1c(C(=O)NNC(=O)NC)cnn1-c1cccc(Cl)c1	56377157	ADDARDSIOGQTEO-UHFFFAOYSA-N	321.768	1.662	50	20	DDGD	
COc1ccc(O)c(C(=O)NNC(=O)Cc2ccccc2F)c1	108974483	UJQVPJNLIQONDA-UHFFFAOYSA-N	318.304	1.544	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(-c3ccc(C)o3)n[nH]2)[nH]n1	178369916	MPLDXUCWFNNUPS-UHFFFAOYSA-N	314.305	1.084	50	20	DDGD	
O=C(COC(=O)[C@H]1CC=CCC1)NNC(=O)c1cccs1	10848511	XKZKVNUZUPBDNW-JTQLQIEISA-N	308.359	1.409	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)on1	24297502	MUFIFVBUYYCBOS-SECBINFHSA-N	307.281	1.351	50	20	DDGD	
COC(=O)[C@H](NNC(=O)c1ccccc1OC)c1ccccc1	117941274	JJPSIGMGRHRFDB-OAHLLOKOSA-N	314.341	1.844	50	20	DDGD	
COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NNc2cccnn2)c1	187876868	PDGGXDMEXULHHM-AAEUAGOBSA-N	314.345	1.741	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H](C)NC(=O)c2ccccc2)n1	22233244	VKZRUVPHROOXRI-GFCCVEGCSA-N	313.361	1.355	50	20	DDGD	
O=C(Cc1ccccc1[N+](=O)[O-])NNC(=O)NC1CCCC1	65920967	QSIJZHAPWSIGPI-UHFFFAOYSA-N	306.322	1.410	50	20	DDGD	
C[C@H](CCN(C)C)NC(=O)NNC(=O)CCCc1ccccc1	69820684	KMMPKJMTLQZBMF-CQSZACIVSA-N	320.437	1.680	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2cccc([N+](=O)[O-])c2)cc1	119715186	LNOJIJXHOZAOQK-UHFFFAOYSA-N	314.301	1.985	50	20	DDGD	
O=C(NNc1ccncc1)[C@@H]1CCCN1C(=O)c1cccs1	180494318	BGEKBUQNJLWABE-LBPRGKRZSA-N	316.386	1.891	50	20	DDGD	
CCN(C)C(=O)[C@H](C)NC(=O)NNc1cccc([N+](=O)[O-])c1	187825385	KROGLIHXDGQGSR-VIFPVBQESA-N	309.326	1.088	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)COCC(F)(F)F)c1	122255733	FVPASZGSPRBKFK-UHFFFAOYSA-N	319.283	1.093	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)c1occc1-c1ccccc1	70720143	OKGFIVISWNHQGZ-UHFFFAOYSA-N	315.329	1.232	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)COC(C)(C)C)nc2ccccc21	181151621	SHWDDQRRFXLYRK-UHFFFAOYSA-N	318.377	1.078	50	20	DDGD	
COc1cc(CN(C)S(=O)(=O)CCCCl)ccc1O	37842854	AVBKHGTZLHWLNL-UHFFFAOYSA-N	307.799	1.791	50	20	DDGD	
COc1ccc(OC)c(CC(=O)NNc2ncc(F)cn2)c1	123092785	USIYNXNIDJXUBP-UHFFFAOYSA-N	306.297	1.319	50	20	DDGD	
O=C(NNc1nccnc1Cl)[C@H]1COc2ccc(F)cc2C1	121039881	NNXJYFKDBVFDGC-SECBINFHSA-N	322.727	1.964	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H](C)Cc2c(C)noc2C)n1	128259857	UVAMSZVCZDXQBF-SNVBAGLBSA-N	318.381	1.956	50	20	DDGD	
CNc1nc(C(=O)NNC(=O)Cc2ccccc2F)cs1	120937355	MLKJMZBDFKPKCZ-UHFFFAOYSA-N	308.338	1.328	50	20	DDGD	
Cc1cc(Cl)ccc1NC(=O)C(=O)NNc1ncccn1	120073496	IHYICOMPLAROFR-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
CC[C@H](CO)NC(=O)NNC(=O)c1c(Cl)cccc1Cl	180691943	UWDDCQSJSPTDHM-SSDOTTSWSA-N	320.176	1.708	50	20	DDGD	
O=C(NCCCCCCO)NNC(=O)c1cc2ccccc2o1	180879342	ISDINYJPZHLQOP-UHFFFAOYSA-N	319.361	1.930	50	20	DDGD	
COc1ccc2c(ccn2CC(=O)NNC(=O)C(C)(C)C)c1	77220628	DJIWOYBCFSGVBD-UHFFFAOYSA-N	303.362	1.843	50	20	DDGD	
CC(C)CCn1ccc(NC(=O)NNC(=O)c2ccc[nH]2)n1	183222007	WEAYNYOJXCPCEZ-UHFFFAOYSA-N	304.354	1.724	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C=C(C)C)cc1	46470083	CFLAUCWIJQLKPA-GFCCVEGCSA-N	306.362	1.966	50	20	DDGD	
CN(C)CC(=O)NNC(=O)N[C@@H](c1ccccc1)C(F)(F)F	133827458	TYPIYAHUCYYMRJ-NSHDSACASA-N	318.299	1.182	50	20	DDGD	
COCCC1(C(=O)NNC(=O)COCc2ccccc2)CC1	134023885	FSRNFEMJDRWNAT-UHFFFAOYSA-N	306.362	1.167	50	20	DDGD	
Cc1nc2cc(F)cc(C(=O)NNC(=O)C3CC3)c2nc1C	48381515	WWEIXDJSRHUFAB-UHFFFAOYSA-N	302.309	1.557	50	20	DDGD	
COC(=O)CCCNC(=S)NN(C)C(=O)OC(C)(C)C	138675984	JHMPYKLFIOWZBG-UHFFFAOYSA-N	305.400	1.186	50	20	DDGD	
CCn1c(SCC(=O)NNC(=O)N(C)C)nc2ccccc21	194934279	BOEKYVVCSKXSPK-UHFFFAOYSA-N	321.406	1.451	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(F)cc2F)o1	84461321	KPDOVOCXUNRNSI-UHFFFAOYSA-N	316.285	1.490	50	20	DDGD	
CSc1cc(C(=O)NNC(=O)Cn2nc(C)cc2C)ccn1	97026585	VXXJJOFZYOBZHQ-UHFFFAOYSA-N	319.390	1.078	50	20	DDGD	
CCn1cc(NC(=O)C(=O)NNc2cc(C)ccc2F)cn1	190470641	ZPMAUTGRCUYBGI-UHFFFAOYSA-N	305.313	1.432	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)c2cccn2C)sc1C	91012617	QYVPJUAWDOWFGZ-UHFFFAOYSA-N	313.404	1.327	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=Cc1ccc(O)cc1O	252394237	BAFUWONWQMMGBA-UHFFFAOYSA-N	324.340	1.906	50	20	DDGD	
CC(=NNC(=O)c1cccnc1)c1cc([N+](=O)[O-])ccc1O	254513108	HHEOFOOKPLJLTP-UHFFFAOYSA-N	300.274	1.849	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)COc2ccc(C)cc2)O1	268253916	CNIIMPANEGTKQC-JSGCOSHPSA-N	306.362	1.479	50	20	DDGD	
COc1ccccc1O[C@@H](C)CNC(=O)NNC(=O)CC(C)C	266540839	KXYMERLPJBBBQM-LBPRGKRZSA-N	323.393	1.839	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2sccc2C)n1	267001086	YHQSPDDKTMVOQH-UHFFFAOYSA-N	307.379	1.990	50	20	DDGD	
Cc1nnc(SCCC(=O)NNC(=O)c2ccccc2C)[nH]1	266717064	KXMLZFSERBPSEN-UHFFFAOYSA-N	319.390	1.365	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNC(=O)COc1cc(C)cc(C)c1	268120235	BRHKWYCTMHFUEE-GFCCVEGCSA-N	322.361	1.029	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC12CCOCC2)c1cc(Cl)ccc1O	365827697	JPHKNLSSVLMCON-LLVKDONJSA-N	324.764	1.623	50	20	DDGD	
C[C@@]1(C(=O)NNc2nc(-c3ccncc3)no2)CCCOC1	272697617	IMEPIHIDMBBWAH-CQSZACIVSA-N	303.322	1.391	50	20	DDGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNC(=O)Cc2ccncc2)C1	279995336	RSMQLMAWAUYYQB-ZIAGYGMSSA-N	305.378	1.367	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccc(CN2CCCCC2)cc1	277905583	HGLDECHHPANTKN-UHFFFAOYSA-N	319.405	1.204	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@H]2CCO[C@H](C)C2)cc1	271822721	DDWADYKVXHQUBC-NEPJUHHUSA-N	321.377	1.070	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cc([C@H]2CCCO2)nn1C	278915139	GVHFJLJONOUVSN-LLVKDONJSA-N	309.370	1.470	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1cc(C#N)ccc1C	272644323	ZEKAZYIFQGTNQQ-NSHDSACASA-N	320.349	1.071	50	20	DDGD	
CCC(C)(C)CNC(=O)NNC(=O)[C@H]1COc2ccccc2O1	277485488	OAHBNXALLFEPFC-CYBMUJFWSA-N	321.377	1.593	50	20	DDGD	
Cc1nn(C)cc1CNC(=O)c1c(C)nn(CCCl)c1C	274838053	PDSYSPDUAXPFSX-UHFFFAOYSA-N	309.801	1.711	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(C(C)C)cc1O	271227073	HNSOVTWOVDGEID-UHFFFAOYSA-N	309.366	1.496	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H](C)[C@H]1CCCCO1	272030460	ZJMYZZYTQRVWEM-DGCLKSJQSA-N	321.377	1.597	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccnn2CC(F)F)n1	279005046	KCTVMVYPUAZWDN-UHFFFAOYSA-N	312.280	1.012	50	20	DDGD	
O=C1CCC[C@H]1[C@H]1COCCN1S(=O)(=O)CCCCCl	373428315	XTKDOWQLTGWKJA-NWDGAFQWSA-N	323.842	1.405	50	20	DDGD	
N#Cc1cc(NC(=O)C(=O)NNC(=O)C2CCC2)ccc1Cl	274097057	OIURLEXNEBCMIS-UHFFFAOYSA-N	320.736	1.098	50	20	DDGD	
OC[C@@H]1CN(CCI)c2ccccc2O1	372993176	OFXHKYPOSLHDRZ-VIFPVBQESA-N	319.142	1.681	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@H]2COc3ccccc32)n1	289433102	RIXMIGQOYSBCRI-LBPRGKRZSA-N	313.361	1.896	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NNC(=O)Nc2ccccc2)C1	283767852	ONLAGIQJPWCELA-LBPRGKRZSA-N	304.350	1.098	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@@H]2CCC(=O)[C@H]2C)c(O)c1	280039012	LXZKOIGVOPWTQG-QWRGUYRKSA-N	304.346	1.467	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)N[C@@H]1CCS(=O)(=O)C1	282929360	FTDXREWMVSXORU-GFCCVEGCSA-N	311.407	1.371	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CC[C@H](OC)C[C@@H]1C	282009557	XYENADVZRKQYQH-RYUDHWBXSA-N	321.377	1.549	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)CCc1ccc(OC)cc1	280001520	HUSWKIMPULZFNC-MRXNPFEDSA-N	308.378	1.590	50	20	DDGD	
CC/C=C/CNC(=O)NNC(=O)COc1cc(C)ccc1C	298180646	RPGCHKNZKTVLTB-AATRIKPKSA-N	305.378	1.979	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(C(F)F)CCCC1	808645477	NCFAZEWZKFWHKP-MRVPVSSYSA-N	306.309	1.301	50	20	DDGD	
Cc1csc(CCC(=O)NNC(=O)N=c2cc[nH]cc2)n1	802032301	POUSWTJQYZAGCO-UHFFFAOYSA-N	305.363	1.054	50	20	DDGD	
Cc1ncc2n1CC[C@@H](C(=O)NNc1ccc(Cl)nc1)C2	290304002	IXPUSMYSCZXOJI-SNVBAGLBSA-N	305.769	1.946	50	20	DDGD	
CC[C@H]1[C@H](C)CCN1CC(=O)NNC(=O)Cc1ccccc1C	299401515	SFVWLOIBAWWJBP-ZBFHGGJFSA-N	317.433	1.805	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(C)c(C)n1	298884764	IAAMJOOFNDFUPG-UHFFFAOYSA-N	309.366	1.249	50	20	DDGD	
Cc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)[C@@H]1CCCCO1	295254291	ANPNYOLWKWQNPX-ZNMIVQPWSA-N	302.374	1.815	50	20	DDGD	
N#Cc1ccc(SCC(=O)NNC(=O)[C@H]2CCCCO2)cc1	295384752	KXNXLEUIADISFH-CYBMUJFWSA-N	319.386	1.367	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1CCCN(c2ccccc2)C1=O	297025069	IMAFHWLJMOPFQV-AWEZNQCLSA-N	305.378	1.039	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1cn(CC(=O)C(C)(C)C)nn1	808247558	FUSDUTZBEZCDRF-UHFFFAOYSA-N	321.208	1.769	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cc(=O)c2ccccc2o1	802032240	DJWBJWBZMSHZJZ-UHFFFAOYSA-N	324.296	1.076	50	20	DDGD	
CCc1ccccc1CNC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	297146683	HXSFTUAWCHHNMV-FZMZJTMJSA-N	305.378	1.647	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1cccc2nn[nH]c12	805469418	OHIANBXSLDSQIG-UHFFFAOYSA-N	309.333	1.772	50	20	DDGD	
O=C(NC[C@H](c1ccco1)N1CCCC1)NNc1ccncn1	296408067	UWQDXNUVXYLMOO-GFCCVEGCSA-N	316.365	1.533	50	20	DDGD	
CC(C)(C)CCS(=O)(=O)NNC(=O)c1ccc(C#N)cc1	290728991	VTQJDMZKTFAXTB-UHFFFAOYSA-N	309.391	1.559	50	20	DDGD	
CO[C@@H]1COCC[C@H]1CC(=O)NNC(=O)c1ccc(C)s1	294685021	YBBILKHGFLBCHR-WDEREUQCSA-N	312.391	1.259	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2nc(O)c3cnn(C)c3n2)CC[C@H]1C	294964797	PRTDBYVYTCUASF-UTLUCORTSA-N	318.381	1.584	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)CC(C)C)cc1C(=O)O	298657221	NZDYOJWJCQPMGM-UHFFFAOYSA-N	314.363	1.049	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)NOC1CCCC1	805259872	MFXOJTCYXLWMBP-UHFFFAOYSA-N	303.326	1.163	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccccc1S[C@@H](C)C(N)=O	801141566	NETVFGWMORAFTF-VIFPVBQESA-N	324.406	1.005	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@@H]1CCN(c2ccccc2F)C1	810777081	VFLJMKCUICRWCT-SNVBAGLBSA-N	319.315	1.724	50	20	DDGD	
CN(NC(=O)c1ccccc1S(=O)(=O)C(F)F)C1CC1	819653300	JTGYJQIKADSMAI-UHFFFAOYSA-N	304.318	1.422	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)COc2ccc(F)cc2)on1	814748666	PMLZBOUKKUYKFJ-UHFFFAOYSA-N	321.264	1.129	50	20	DDGD	
CN(NC(=O)[C@H](c1ccccc1)N1CCC(O)CC1)C1CC1	819650627	UQNWIGYKKRJHPT-INIZCTEOSA-N	303.406	1.310	50	20	DDGD	
C[C@H]1CCN[C@H](C(=O)NNc2nc(-c3ccccc3)no2)C1	817933672	NQZQMFSOGPGCHZ-JQWIXIFHSA-N	301.350	1.568	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1ccc2c(c1)C(=O)NC2=O	817006359	HAROQSSAGXVJEA-UHFFFAOYSA-N	316.704	1.376	50	20	DDGD	
Cn1cc(C=NNC(=O)c2ccc(C#N)cc2)c(C(F)F)n1	812227256	WKYCOZGHALYONI-UHFFFAOYSA-N	303.272	1.993	50	20	DDGD	
CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)NN(C)C1CC1	819643931	VABZNIFSBUXCAP-OAHLLOKOSA-N	318.421	1.636	50	20	DDGD	
O=C(NC[C@@H]1COc2ccccc2C1)NNc1ncncc1F	814280317	BRKZVQYLLIHYDB-SNVBAGLBSA-N	317.324	1.493	50	20	DDGD	
CC[C@H](C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1	814814366	IJNDFBPHRAVMDT-TZMCWYRMSA-N	323.418	1.652	50	20	DDGD	
CO[C@]1(CNC(=O)NNc2cccc(Cl)n2)CCOC1	814319767	QESVKBHVICSQRS-LBPRGKRZSA-N	300.746	1.167	50	20	DDGD	
COC(=O)CCn1nc(C)c(C=NNC(=O)NCC2CC2)c1C	727061746	NIRIKQHZNMPEMK-UHFFFAOYSA-N	321.381	1.106	50	20	DDGD	
CCOc1ncccc1CNC(=O)/C(C#N)=C/c1cnn(C)c1	491157968	BPNFTFFWUHPTGM-VGOFMYFVSA-N	311.345	1.437	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H]2CC2(F)F)cc1F	822649396	ZLBCADRLPSFXJT-ZETCQYMHSA-N	319.308	1.807	50	20	DDGD	
Cc1ccccc1NNC(=O)c1ccc(N2CCOCC2)nc1	821693353	JCOPOCWIUGSXEH-UHFFFAOYSA-N	312.373	1.984	50	20	DDGD	
COC(=O)N1CCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)CC1	490974428	NGVKYMNMIXSYSQ-JLHYYAGUSA-N	315.329	1.210	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@]1(F)CCN(C(=O)OC(C)(C)C)C1	492969822	WGHBIAAZIQJITI-CQSZACIVSA-N	317.361	1.139	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C\c1ccc(OCCC(=O)O)cc1	490563436	NHEIUFPJQLTYOW-RAXLEYEMSA-N	300.314	1.749	50	20	DDGD	
CCN(CC)C[C@H]1CCN(C(=O)/C(C#N)=C\c2cnn(C)c2)C1	491136001	UZKYQVUGMXJXMW-MEFZMRIGSA-N	315.421	1.517	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCCN(C(C)(C)C)CC2)cn1	491084223	NLNOHHSPCLKWIH-XNTDXEJSSA-N	315.421	1.660	50	20	DDGD	
COc1ccc(C(=O)NN(C)[C@H](C)CO)c(OCC(C)C)c1	823936093	ZSMSVZUTVLEUST-GFCCVEGCSA-N	310.394	1.687	50	20	DDGD	
COC(=O)Nc1cccc(C(=O)NNC(=O)c2ccc(C)o2)c1	493216780	RDZKAVPMGVOSNJ-UHFFFAOYSA-N	317.301	1.841	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(CC)c(S(C)(=O)=O)c1	494095154	RQOBYCPKGBDCFE-UHFFFAOYSA-N	314.363	1.043	50	20	DDGD	
CN1CCCC[C@@H](C(=O)NNc2nc3ccccc3[nH]2)C1=O	825214529	VZGCKWARUXFOQX-JTQLQIEISA-N	301.350	1.265	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1cc(-c2nn[nH]n2)cs1	821691143	KMHVKCDVUFPICS-XBXARRHUSA-N	305.319	1.025	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)C2(Br)CC2)c1	824863449	PDTXLONLSSXJOM-UHFFFAOYSA-N	303.181	1.745	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)C(C)C)c1ccccc1OC	828655833	ISKWNLWLZZRNNN-CYBMUJFWSA-N	307.394	1.539	50	20	DDGD	
Cn1cc(Cl)c(CNC(=O)[C@]2(C)C[C@@H]2Br)n1	908933180	OBEMFLWIVHPGIC-WCBMZHEXSA-N	306.591	1.863	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1	730533935	RGBFGAWWLSXLFZ-UONOGXRCSA-N	304.394	1.595	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)cccc1[N+](=O)[O-]	836779026	MOSKYAUPGWYQEN-NWDGAFQWSA-N	315.333	1.884	50	20	DDGD	
COC(=O)NNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1	495446965	AYDJINZCFPNHMI-UHFFFAOYSA-N	322.302	1.719	50	20	DDGD	
CC[C@@H](COC)NC(=O)NN=c1sc2ccccc2n1C	738503719	WHEPNJFRBFMJLS-JTQLQIEISA-N	308.407	1.780	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)NC(=O)[C@@]1(C)C[C@@H]1Br	909234632	DNJMDLRDUHDRRQ-QRTLGDNMSA-N	300.200	1.641	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2ncc(F)cc2F)c2nccn21	838689762	VGZQDMNIVSXPGZ-GMSGAONNSA-N	308.292	1.888	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1cccc(C#CCO)c1	908197476	VTYKJXMKZZSBFI-UHFFFAOYSA-N	322.368	1.845	50	20	DDGD	
CC(C)c1nnc(CCC(=O)NNc2cccc(C(=O)O)c2)o1	833512002	KPUONXUITBVSSB-UHFFFAOYSA-N	318.333	1.967	50	20	DDGD	
COC(=O)c1cc(NNC(=O)N[C@H](C)CSC)ccc1F	838484099	WNTJZJLJKCYHCA-MRVPVSSYSA-N	315.370	1.990	50	20	DDGD	
COc1cc(CCNCc2ccccc2B(O)O)ccc1Cl	585043443	OGNIMFZPIFMKAM-UHFFFAOYSA-N	319.597	1.361	50	20	DDGD	
CCN(CCc1cccs1)C(=O)c1cc(B(O)O)ccc1F	584930893	FRZNRGCKEGXRRU-UHFFFAOYSA-N	321.182	1.272	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)COc1ccccc1O)C(C)(C)C	734533711	SLGFITVDNIPXSA-LLVKDONJSA-N	323.393	1.784	50	20	DDGD	
CCn1cc(C=NNC(=O)CSc2ccc(C)cc2)nn1	901150297	YLGAPEGJMVVNQS-UHFFFAOYSA-N	303.391	1.849	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)[C@H](C)Oc1ccc(F)cc1	732527820	KNOIUQHLJFJULN-JTQLQIEISA-N	316.354	1.130	50	20	DDGD	
COCC[C@H](C)NC(=O)NNc1ccc(C(=O)OC)cc1F	838118492	DPWNWJFKHPTKPK-VIFPVBQESA-N	313.329	1.663	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)c1cc(CN)ccn1	906226476	AVMRLRVLWUOESB-UHFFFAOYSA-N	321.812	1.869	50	20	DDGD	
COCC1(C(=O)NNc2ccc(F)c(C(=O)OC)c2)CCC1	837036345	BDNYALBVCABCIT-UHFFFAOYSA-N	310.325	1.872	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1cnn2ccccc12	732285256	ZEFHURIXWTWXAZ-UHFFFAOYSA-N	321.300	1.536	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@H]1CCN(CC2CC2)C1	736664794	JIELSHGBTGOCBS-LBPRGKRZSA-N	320.368	1.254	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@H]2C[C@H]2C(=O)O)cc1	737204445	YCEIWERJAOCJEZ-WDEREUQCSA-N	323.374	1.124	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)C2CCC2)c(Cl)c1	732048343	ZWJUSXOSKXJEDR-UHFFFAOYSA-N	302.783	1.758	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCO[C@H](C)C2)c1F	837060390	BQVWRDOJPTZLLY-ZJUUUORDSA-N	310.325	1.871	50	20	DDGD	
OB(O)c1ccccc1CN[C@H](CCc1ccccc1)C(F)F	585049218	LTWWXZYORDFWJK-MRXNPFEDSA-N	319.160	1.723	50	20	DDGD	
C=CCCOCCCCc1nc(-c2cccc(B(O)O)c2)no1	585052898	AKCGTSOEBBQZJF-UHFFFAOYSA-N	316.166	1.332	50	20	DDGD	
COc1nc2sccn2c1C=NNC(=O)NCC(F)(F)F	917552488	TVZHINRCHHQRRZ-UHFFFAOYSA-N	321.284	1.600	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)[C@H]1C[C@H]1C(=O)O	739345639	KIAXAMNOTDHYES-UONOGXRCSA-N	312.325	1.250	50	20	DDGD	
CC(C)(C)SCCNC(=O)NNC(=O)[C@@H]1CCCCO1	836272364	PUMIZYPMACWBJD-JTQLQIEISA-N	303.428	1.418	50	20	DDGD	
O=S(=O)(CCl)NC[C@@H](O)c1ccccc1C(F)(F)F	830614718	NRGXBLORCOFUKC-SECBINFHSA-N	317.716	1.855	50	20	DDGD	
CC(=NNC(=O)Cn1c(C)nc2ccccc21)c1cn(C)nc1C	917535747	HCUSRGTUTMGUGB-UHFFFAOYSA-N	324.388	1.927	50	20	DDGD	
C[C@@H](CN1CCOCC1)NC(=O)NNc1ccc(F)c(F)c1	914084666	MTQOFBTVBDMQKL-JTQLQIEISA-N	314.336	1.312	50	20	DDGD	
O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	913731546	MOVMOPIRNJRXLK-BFHYXJOUSA-N	321.421	1.363	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H](C)CC(=O)OC)cc1	846374895	VSWUXNYHBNWVNF-JTQLQIEISA-N	308.334	1.044	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC(F)(F)F)c2c(C)noc2n1	918363843	DOECVUGEOHBNRE-UHFFFAOYSA-N	316.239	1.553	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cn1cnc2ccccc21)c1ccco1	741661579	VWNGQCRJCFPKSP-NSHDSACASA-N	312.329	1.580	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(C#N)ccc1Cl	843655542	MTSSTDFZBGVALF-PSASIEDQSA-N	307.737	1.398	50	20	DDGD	
CC(C)n1ccc(CC(=O)NNC(=O)c2ccccc2F)n1	740698864	RFJDOTHIAJDUAV-UHFFFAOYSA-N	304.325	1.607	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@H](C)n2ccnc2)c1	845928269	LITHSLVQXJDPOW-NSHDSACASA-N	302.334	1.764	50	20	DDGD	
CC1=C(C(=O)NNc2oc(C(C)C)nc2C#N)C(=O)OC1(C)C	749941638	KWTJIMFKSYQMMM-UHFFFAOYSA-N	318.333	1.765	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NN=Cc3ncnn3C)cc2C1	842521598	MNMBVMMKMPZZMW-SECBINFHSA-N	303.391	1.765	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)c1nccn2ccnc12	743410964	UKFMXGUDAXAZDK-UHFFFAOYSA-N	305.301	1.429	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1cccc2c1OCO2	841638569	SEEGNHYHTJIJTH-UHFFFAOYSA-N	304.350	1.096	50	20	DDGD	
Cc1cc(-n2cncn2)ccc1C(=O)NNC(=O)CC(C)C	742042821	RCDBTANMDSEBHS-UHFFFAOYSA-N	301.350	1.383	50	20	DDGD	
Cc1cc(C=NNC(=O)Cc2nc3ccccc3n2C)n(C)n1	841610475	NGDMHPOXYXJINV-UHFFFAOYSA-N	310.361	1.308	50	20	DDGD	
CC[C@H](C)Oc1cc(C(=O)NNC(=O)c2ncccn2)ccn1	841350094	DNZUSGWYEQNCLQ-JTQLQIEISA-N	315.333	1.124	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)C[C@H]2CC(=O)N2)C1	912582049	LQLQEJXUEIHJPC-VXGBXAGGSA-N	312.486	1.888	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc(F)c1Cl	843652740	KWJGLIHWUUYJGA-HTQZYQBOSA-N	300.717	1.665	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=Cc1c[nH]c2ncccc12	741755477	FMAXYGVAKKVERW-UHFFFAOYSA-N	319.324	1.964	50	20	DDGD	
Cc1ccc(C2(C(=O)NN(C)C[C@H](C)O)CCOCC2)cc1	910167096	HQCWOFFTRGMXGD-AWEZNQCLSA-N	306.406	1.387	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1ccccc1OC(F)F	916358021	XVGCVZCHBBNFMQ-UHFFFAOYSA-N	311.288	1.361	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1	743588759	IABAZOGEDBCGIV-QLFBSQMISA-N	316.405	1.923	50	20	DDGD	
CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NNc1cccc(C#N)c1	741426098	PWNINAKWHCJGGB-MCIONIFRSA-N	300.362	1.998	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@H]2CS[C@@H](C)C2)cc1	845259613	MHZQWEQLWYUSGU-GXFFZTMASA-N	323.418	1.922	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1cnnn1-c1ccccc1	844550027	SYJRHXNXVRSGGB-JLHYYAGUSA-N	311.345	1.327	50	20	DDGD	
NCC[C@H](NC(=O)NNc1cccc([N+](=O)[O-])c1)C(F)(F)F	841331751	AKGSZUQERASXQD-VIFPVBQESA-N	321.259	1.501	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(Cl)c(C#N)c1	843663666	XVUNOZGHAVBWPN-KWQFWETISA-N	307.737	1.398	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)c1cnc2[nH]nnc2c1	755902541	LWHNVFUIDVDALF-UHFFFAOYSA-N	319.328	1.966	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	755669805	HPKBIHRHLDTVCV-LLVKDONJSA-N	308.382	1.578	50	20	DDGD	
C[C@]1(CNC(=O)NCC2(CO)CCC2)C[C@@H]1Br	856954415	YKRIDMPLGULGNX-GXSJLCMTSA-N	305.216	1.622	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H](C)OCCC(C)C	854281276	SMKNKVJPOLRBPP-GFCCVEGCSA-N	319.471	1.312	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cccnc2C2CC2)nc1	752672382	DXCPZSPCFYKPTA-UHFFFAOYSA-N	312.329	1.898	50	20	DDGD	
NC(=O)c1ccc(CC(=O)NNc2cc(F)c(F)c(F)c2)cc1	754249983	ZTWOUNRJOOGOFP-UHFFFAOYSA-N	323.274	1.889	50	20	DDGD	
CSSCCNC(=O)N1CCN([C@H]2CCOC2)CC1	852314884	MWTNXSHGVICUQF-NSHDSACASA-N	305.469	1.114	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C[C@@H]1CCOc2ccccc21	752169589	WMNZQPHTBZASBT-STQMWFEESA-N	306.362	1.706	50	20	DDGD	
CO[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2cccc(Cl)n2)C1	857324968	OPKJSELTJYITLI-NXEZZACHSA-N	311.769	1.701	50	20	DDGD	
N#CC1(CC(=O)NNC(=O)c2cccc(F)n2)CCCCC1	856428184	QIRZVZQEVAPULH-UHFFFAOYSA-N	304.325	1.846	50	20	DDGD	
CO[C@H]1CCCC(=NNC(=O)CCCNC(=O)C(C)(C)C)C1	853408016	HQRXUANZYQQACR-ZDUSSCGKSA-N	311.426	1.990	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc(-c2cnco2)c1	855007207	TYROGRVMVQYFPX-MFKMUULPSA-N	315.329	1.528	50	20	DDGD	
CCOC1CCN(C(=O)NNC(=O)c2cccc(F)n2)CC1	852710026	IZQJTJPKNOSUEG-UHFFFAOYSA-N	310.329	1.076	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1C(=O)NNC(=O)c1cccnc1	755316794	DJMNZOQQICLGJT-UHFFFAOYSA-N	316.273	1.073	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)CCc2ccccc2)c(C)nn1	759028634	SIIUIHQNPYFIOL-UHFFFAOYSA-N	312.373	1.741	50	20	DDGD	
COc1cc(C(=O)NN=C(C)c2cnc[nH]2)cc(OC)c1OC	853259627	LMDVERPCKQVQKF-UHFFFAOYSA-N	318.333	1.590	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)/C(C)=C\C(C)(C)C	854388531	OAXGUWRKLYXBNE-KHPPLWFESA-N	300.399	1.915	50	20	DDGD	
C#CC[C@H](CCOC)NC(=O)NNC(=O)c1cc(C)cs1	858708856	ZOWXPQPKFDSFGZ-LLVKDONJSA-N	309.391	1.429	50	20	DDGD	
CCCN(CC)Cc1ccc(C(=O)NNC(=O)NCC)cc1	751371970	OGRWWVWIMNWYGM-UHFFFAOYSA-N	306.410	1.882	50	20	DDGD	
Cc1cccc2cc(C(=O)NNc3ccc(C(N)=O)nn3)oc12	757401245	UPKWWSKLLNVDNU-UHFFFAOYSA-N	311.301	1.387	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C[C@@H]1CC1(Cl)Cl	853318470	SHZSHMUNVLEWNH-VIFPVBQESA-N	315.160	1.107	50	20	DDGD	
Cn1nc(C(=O)NN=CC2CCOCC2)c2ccccc2c1=O	755541105	GMQAYISBBAQCRZ-UHFFFAOYSA-N	314.345	1.076	50	20	DDGD	
CC[C@@](C)(NC(=O)NNC(=O)C1CCOCC1)C(F)(F)F	933506924	KYRZRAKRAJNKNN-LLVKDONJSA-N	311.304	1.474	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@@H]1CCN1Cc1ccccc1	852085507	DGXNXPGMFULAIF-AWEZNQCLSA-N	318.421	1.637	50	20	DDGD	
CC(C)Cn1cc(C(=O)NNC(=O)OCC(F)(F)F)cn1	856022893	PNGCLMAGTRHURY-UHFFFAOYSA-N	308.260	1.472	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)c1nc[nH]c1C(F)(F)F	857533556	DEIQFEVPLPOGRL-UHFFFAOYSA-N	307.182	1.859	50	20	DDGD	
CC(C)NC(=O)CCCC(=O)NC[C@]1(C)C[C@@H]1Br	857400604	IGNPXNNJQZXONJ-GWCFXTLKSA-N	319.243	1.971	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1csc([C@@H]2CCCO2)n1	755504624	NJQHEWGGOZCEFB-NSHDSACASA-N	309.391	1.946	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)C[C@@H]2CC(=O)NC2=O)cc1	935303012	OJMSCZYVXHIKBN-JTQLQIEISA-N	303.362	1.480	50	20	DDGD	
CCOC(=O)N1CCC[C@@H](C(=O)NNc2cccc(C)n2)C1	862524819	VTYSFFIEIRYTTI-GFCCVEGCSA-N	306.366	1.702	50	20	DDGD	
CCSc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)N(C)C	764935749	UIXCVQYPWLXKBE-UHFFFAOYSA-N	312.351	1.623	50	20	DDGD	
N#CCCn1cc(C=NNC(=O)[C@@H]2CCC(=O)N2)c2ccccc21	863146472	SKNOGTFQMSZUHX-AWEZNQCLSA-N	323.356	1.284	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2ccc(C3CC3)nc2C)n[nH]1	869017605	NRJLFISZOSJWGM-UHFFFAOYSA-N	313.361	1.303	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C2(C#N)CC(C)C2)c1	767852563	HMJXAEGMBBWVNN-UHFFFAOYSA-N	316.361	1.194	50	20	DDGD	
O=C(NN=Cc1n[nH]c2cc(C(=O)O)ccc12)NC1CCCC1	765570400	ABZQXSFJJHKFFB-UHFFFAOYSA-N	315.333	1.837	50	20	DDGD	
C[C@H](NNC(=O)CN1CCc2ccccc2C1=O)C(F)(F)F	862316517	CYMYOIUDARSPOK-VIFPVBQESA-N	315.295	1.257	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H](O)CCc2ccccc2)c1	862478355	GPQCNNXAXDIXMR-CYBMUJFWSA-N	318.398	1.811	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2cnn3c2OCCC3)c1	862479253	IUCFCTHRYLZFFU-UHFFFAOYSA-N	306.347	1.110	50	20	DDGD	
C[C@H](O)C[C@H]1COCCN1C(=O)[C@H](Br)C(C)(C)C	768553436	NZYIIXHSBYXOIB-DCAQKATOSA-N	322.243	1.794	50	20	DDGD	
CC[C@H](Cc1ccccc1C)C(=O)NNC(=O)COCCOC	869905853	SIOZIFYPFBGYAI-CQSZACIVSA-N	322.405	1.374	50	20	DDGD	
COCCCn1cc(C(=O)NNc2nccnc2C(C)C)cn1	861359433	HXEHLYMPDSVOHU-UHFFFAOYSA-N	318.381	1.590	50	20	DDGD	
COc1ccsc1C(C)=NNC(=O)CNC(=O)c1ccco1	769781040	VDIMAQOYUXAOIC-UHFFFAOYSA-N	321.358	1.620	50	20	DDGD	
O=C(/C=C\CN1CCOCC1)NNc1cc(F)c(F)cc1F	866878945	IUPAHIMPUJJXPV-UPHRSURJSA-N	315.295	1.435	50	20	DDGD	
Cc1cc(C(F)(F)F)ccc1C=NNC(=O)[C@@H]1CCC(=O)N1	863153401	TXGGRYXJTQIPCH-NSHDSACASA-N	313.279	1.743	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cccc(-c2nccs2)c1	763438794	XASNLTJMXFTKFV-UHFFFAOYSA-N	318.358	1.306	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H]2CCO[C@@H](c3ccccc3)O2)cc[nH]1	862513159	AZGSOGUAGCQRBV-DOTOQJQBSA-N	313.357	1.759	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCCC(=O)NC(C)(C)C	866728303	VLOCPGKHJSECLJ-UHFFFAOYSA-N	312.863	1.476	50	20	DDGD	
CCC(=O)N1CC[C@@H](NC(=O)[C@H](Br)C(C)(C)C)C1	768271072	GDACMYZOHCZKIG-KOLCDFICSA-N	319.243	1.923	50	20	DDGD	
Cc1cc(C)c(C=NNC(=O)c2nn(C)c(=O)c3ccccc23)[nH]1	760235473	OXRCSJSPZVCVAN-UHFFFAOYSA-N	323.356	1.642	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@H]1C[C@@H]2CCCCN2C1=O	867377520	KEWHKKWXJXOYFF-QWRGUYRKSA-N	322.858	1.324	50	20	DDGD	
CCc1csc(-n2cc(C(=O)NNC(=O)C(C)C)cn2)n1	762680858	LTKNUHNWJKFYGZ-UHFFFAOYSA-N	307.379	1.308	50	20	DDGD	
CN1CCC(C#N)(NC(=O)[C@@H](Br)C(C)(C)C)CC1	767980087	BIPBNGJSKOEGCV-SNVBAGLBSA-N	316.243	1.900	50	20	DDGD	
CNC(=O)CCCC(=O)NNC(=S)Nc1cccc(C)c1	873775669	ODRUAFUUYBVNAD-UHFFFAOYSA-N	308.407	1.229	50	20	DDGD	
Cc1coc(C(=O)NNc2nc(O)c3cnn(C)c3n2)c1C	1117110170	FEOLDUIAUCEFMF-UHFFFAOYSA-N	302.294	1.036	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNc2ccnc(N(C)C)n2)ccn1	760124518	GJSUBMIRUPDRDU-UHFFFAOYSA-N	316.365	1.482	50	20	DDGD	
Cc1cccc(NNC(=O)NCc2csc(N(C)C)n2)n1	875337392	PWZQWAIQQKMFHO-UHFFFAOYSA-N	306.395	1.739	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H](C)NC(=O)C1CCCC1	772844524	MKBRMFFKYULBNZ-LLVKDONJSA-N	319.409	1.738	50	20	DDGD	
Cc1nccc(NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)n1	776492998	CXIIZFFRQXKCTD-UHFFFAOYSA-N	316.277	1.160	50	20	DDGD	
C[C@@H](CBr)CN1CCC(c2nnc(N)o2)CC1	878814350	JKRURYBFCAIMAB-QMMMGPOBSA-N	303.204	1.862	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cncc(C(F)(F)F)c1	1117703255	YZRVESFHKRINAQ-UHFFFAOYSA-N	306.313	1.618	50	20	DDGD	
CN(C)C(=O)N1CCC(C(=O)NNc2ccc(F)cn2)CC1	874651537	PRTHAUCVGSITCX-UHFFFAOYSA-N	309.345	1.057	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1C	770574289	LNIZSPWJXFDRMR-MJBXVCDLSA-N	320.389	1.643	50	20	DDGD	
O=C(NNc1ccc(Br)cc1F)C1(O)CCC1	773458802	NWPQZVGWGAEWGG-UHFFFAOYSA-N	303.131	1.946	50	20	DDGD	
CCc1ccccc1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	772203677	SJKOYWBBIKFTPH-GFCCVEGCSA-N	320.389	1.988	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc2c(s1)CCC2	771843847	BHBTVDWDNBJCLH-MRVPVSSYSA-N	310.375	1.340	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@H](c2nncn2C)C(C)C)n1	875576422	XQOLMEACKIWLNV-LBPRGKRZSA-N	303.370	1.542	50	20	DDGD	
Cc1ccc(F)cc1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	771970290	XJIPRUDELSHNQA-LLVKDONJSA-N	324.352	1.873	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCC(C)(C)CCCO)c1	875452606	QEHMIOOUABXQGB-UHFFFAOYSA-N	313.423	1.799	50	20	DDGD	
C#CCOc1cccc(Cl)c1C=NNC(=O)c1cnn(C)c1	777438098	PSCUQRQFLKUMBW-UHFFFAOYSA-N	316.748	1.849	50	20	DDGD	
O=C(CO)NN=C(COCc1ccccc1)c1ccc(F)cc1	776779819	BVSYNMBSRMXDHW-UHFFFAOYSA-N	316.332	1.855	50	20	DDGD	
O=C(CCN1CCOCC1)NNc1ccc(F)cc1Cl	885135902	OCMFPSMELLBAEI-UHFFFAOYSA-N	301.749	1.645	50	20	DDGD	
CN1C[C@H](NC(=O)CCCC[C@@H]2CCSS2)C(=O)N1	777771245	GFKDJCHDKNKIPV-ZJUUUORDSA-N	303.453	1.162	50	20	DDGD	
Cc1ccc2c(c1)CC[C@H](C(=O)NNC(=O)C1CCOCC1)O2	883069851	YNNQMOGULANVPV-OAHLLOKOSA-N	318.373	1.263	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OS(=O)(=O)CCCCl	881850545	XZUASSOUZJKPQL-UHFFFAOYSA-N	309.727	1.941	50	20	DDGD	
C[C@@H]1C[C@H]1c1ccc(CNC(=O)NNC(=O)C2CCOCC2)o1	883155653	OFHMGMIQQBPAEX-ZWNOBZJWSA-N	321.377	1.660	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(F)ccc1F)[C@@H](C)S(C)(=O)=O	885142461	BUWPDKURGSWMNZ-HTQZYQBOSA-N	306.334	1.477	50	20	DDGD	
CC1(C)C[C@@H](C(=O)NNC(=O)c2cccc(Cl)n2)CCO1	1120757256	TZKZDFUEKLEEOG-VIFPVBQESA-N	311.769	1.701	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(N(C)C)nc2ccccc12	887146680	HBUASGRBJXRKTJ-UHFFFAOYSA-N	324.384	1.865	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](C)Oc1ccc(C=O)cc1	887149173	MEEUTEYZQORASV-GFCCVEGCSA-N	302.330	1.217	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](F)C(C)C)cc1C	784146708	VEOFAWMKTSLACV-GFCCVEGCSA-N	309.341	1.383	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@H]1CCCN1C1CC1	786681035	PTMLBZWSPZOXTQ-CQSZACIVSA-N	321.808	1.657	50	20	DDGD	
CN(CC(=O)NNc1c(F)cc(F)cc1F)[C@H]1CCSC1	885151652	KGTFOZFFHIZAGN-VIFPVBQESA-N	319.352	1.984	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNc2nnc(-c3ccccn3)s2)CO1	788558566	PMVPSOONCDKRLQ-IUCAKERBSA-N	305.363	1.468	50	20	DDGD	
COc1ccc(NNC(=O)NCc2ccn(C(C)C)n2)nc1	780991270	LHXGNPKMZMXNFP-UHFFFAOYSA-N	304.354	1.694	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(O)cc([N+](=O)[O-])c2)nc(C)n1	780531490	BTEGRDXIRJBRSE-UHFFFAOYSA-N	303.278	1.464	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)CCCCl)CC2(CCOCC2)O1	882139778	ACUVPPLCKZMMTI-LLVKDONJSA-N	311.831	1.215	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2scnc2C2CC2)n1	782165228	DHALSSUPTFSNFG-UHFFFAOYSA-N	303.391	1.984	50	20	DDGD	
CC(C)Nc1ncccc1C(=O)NNC(=S)NC(C)(C)C	899995589	WUWHFGKPWQNCQW-UHFFFAOYSA-N	309.439	1.809	50	20	DDGD	
N#CC1=CCN(C(=O)c2ccc(N3CCOCC3)c(F)c2)CC1	780689290	XBBOIPYBVIVEMV-UHFFFAOYSA-N	315.348	1.958	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ncnc3[nH]cnc23)c2ccccc21	789906948	SPCQTBZYJVCPHG-JTQLQIEISA-N	308.301	1.166	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccnn1C1CCCC1	899996480	NAJNMNAGANMYOF-UHFFFAOYSA-N	309.439	1.906	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NNc1ncncc1Cl	781831628	LNRKSOUKXWJOLP-UHFFFAOYSA-N	316.752	1.931	50	20	DDGD	
CN1CCC[C@@H]1c1cc(C(=O)NNc2ncccc2Cl)n[nH]1	896380005	HQEMQRBHYKGKFI-GFCCVEGCSA-N	320.784	1.982	50	20	DDGD	
CO[C@@H]1CCOC[C@H]1NC(=O)NNc1ccc(Cl)cc1F	898077877	NMOITZIWZTYCRO-VXGBXAGGSA-N	317.748	1.909	50	20	DDGD	
COCCN(C)NC(=O)[C@@H](CC1CC1)NC(=O)OC(C)(C)C	897722220	UTWKSCXHCKMJKK-GFCCVEGCSA-N	315.414	1.289	50	20	DDGD	
COC(=O)c1ccccc1CC(=O)NNc1ccnc(F)c1	781355763	LTYGTPGCHDLWLP-UHFFFAOYSA-N	303.293	1.693	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2	795003331	SJVRNYLGXPEOCF-JBLDHEPKSA-N	305.407	1.193	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cc(Cl)cc(Cl)c1O	894134822	OVRQUFOKNFSRFY-UHFFFAOYSA-N	306.149	1.022	50	20	DDGD	
COC1(C=NNC(=O)c2cccc(S(C)(=O)=O)c2)CCCC1	790157563	GRJYHDYRMSMEKF-UHFFFAOYSA-N	324.402	1.765	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21	794622058	VJWGMQHCJLEIIY-FRRDWIJNSA-N	309.410	1.265	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1cccc2c1oc(=O)n2C	792343036	IVEBUAZFAYGHRU-UHFFFAOYSA-N	313.317	1.984	50	20	DDGD	
O=C(NN=Cc1cccc2c1OCCO2)c1ccc(O)c(O)c1	794550334	DNMIFMRVLVAPKV-UHFFFAOYSA-N	314.297	1.633	50	20	DDGD	
CC(=NNC(=O)c1cc(C)[nH]n1)c1ccccc1-n1ccnn1	794920620	QOCFERBORJQHQZ-UHFFFAOYSA-N	309.333	1.453	50	20	DDGD	
Cc1ccc(F)cc1C(=O)C(=O)NNC(=O)NCC(F)(F)F	798315083	ABWXTIPCRSBKES-UHFFFAOYSA-N	321.230	1.210	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1C[C@H]1c1ccc(OCC)cc1	798111400	CRSPSMFMKBMWSL-UONOGXRCSA-N	321.377	1.308	50	20	DDGD	
N#Cc1c[nH]c(C(=O)NNC(=O)c2cncn2-c2ccccc2)c1	1318921734	SVZBVDCBPVHZAB-UHFFFAOYSA-N	320.312	1.147	50	20	DDGD	
CC(C)[C@H](C#N)C=NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	1319496458	KTFWSXRDLKZIHH-LLVKDONJSA-N	322.390	1.993	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H](C)c2cnn(C)c2C)n1	1322419122	ZKFPELQWLRFIOO-SNVBAGLBSA-N	316.365	1.137	50	20	DDGD	
C[C@H](C(=O)NNC(=O)N=c1cc[nH]cc1)c1ccc(F)c(F)c1	1321307051	OZNGQCKCBQICFL-VIFPVBQESA-N	320.299	1.738	50	20	DDGD	
CC1(C)C[C@H](C(=O)NNC(=O)COc2ccc(F)cc2)CCO1	1335444731	ODNMYQSTQYSQKW-LLVKDONJSA-N	324.352	1.557	50	20	DDGD	
CC[C@H]1C[C@@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CCO1	1254358899	MHTBYQXHFUINPK-QWRGUYRKSA-N	320.393	1.255	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc(O)nc2c1CCCC2	1332584396	UPVZEIKKJJNNAK-UHFFFAOYSA-N	308.407	1.183	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC2(C)CCNCC2)cc1	1331465584	BHWQASTUJXHRCW-UHFFFAOYSA-N	320.393	1.029	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)C1CCC(Cl)CC1	1263774038	LXXXMOVMWGXYNN-TYUFSLCMSA-N	317.813	1.963	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1	1261444140	NTXZLILMSRKNJJ-CMPLNLGQSA-N	302.334	1.331	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NC2(C(F)(F)F)CC2)c1	1262323216	CLCVTHVJDKXZDQ-UHFFFAOYSA-N	312.251	1.597	50	20	DDGD	
N#CSCCCNC(=O)CNC(=O)c1cc(Cl)ccn1	1351215719	KGUQLCVZCLFYOQ-UHFFFAOYSA-N	312.782	1.185	50	20	DDGD	
CN(C)c1ccc(C(=O)NNc2ccccc2C(=O)O)cn1	1606050408	FBWORTWZCOFKFX-UHFFFAOYSA-N	300.318	1.603	50	20	DDGD	
Cc1cc(C(=O)N2C[C@H]3[C@H](Br)[C@H]3C2)oc1C(=O)O	1607573213	CXMMZWXMJWHEQG-QMSLJYSESA-N	314.135	1.752	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H]2CCN(C)[C@@H]2C)cccc1C(=O)O	1600051428	RKSUGIVJLSSXLN-ZWNOBZJWSA-N	306.366	1.412	50	20	DDGD	
O=C(/C=C/C1CCOCC1)NNc1ccc(C(=O)O)c(F)c1	1601232587	NNPSSNAHFQXDRX-DAFODLJHSA-N	308.309	1.950	50	20	DDGD	
O=C(O)Cn1ccc(NC(=O)NNc2cc(F)ccc2F)n1	1606348793	OFWWOSHKQDUAKH-UHFFFAOYSA-N	311.248	1.395	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccc(CC(=O)O)cc2)o1	1600341001	IROZNKCHNCFXEK-UHFFFAOYSA-N	317.301	1.682	50	20	DDGD	
O=C(O)c1cc(C=NNC(=O)[C@H]2CCCO2)n2c1CCCC2	1608841424	QQQRRBCDHKEAOB-CYBMUJFWSA-N	305.334	1.152	50	20	DDGD	
Cc1ccccc1NNC(=O)C(=O)Nc1ccsc1C(=O)O	1600584491	LXBIYTYNWHPFRW-UHFFFAOYSA-N	319.342	1.837	50	20	DDGD	
CC(Cc1cccs1)=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549319265	SVERPNDMANNTFO-JSGCOSHPSA-N	307.419	1.646	50	20	DDGD	
O=C(O)[C@H]1CC[C@H](C(=O)NNc2ccccc2[N+](=O)[O-])CC1	1610805103	DSSAJTYFJJEZAJ-MGCOHNPYSA-N	307.306	1.929	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@H](N)c1ccc(F)cc1F	1575230950	LJNOCWOSOMQMSC-SNVBAGLBSA-N	301.293	1.521	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1C[C@H](N)C1(C)C	1576294270	FYXUMMJLBLEGFH-KWBADKCTSA-N	323.368	1.114	50	20	DDGD	
C[C@H]1CCc2[nH]nc(C(=O)NNc3ncccc3C(=O)O)c2C1	1589363832	LVWDVNCLAIDFCW-QMMMGPOBSA-N	315.333	1.385	50	20	DDGD	
CC(C)[C@H](C(=O)O)C(=O)NNc1nnc(-c2ccccn2)s1	1588807580	BLTGZROFDLWSOR-VIFPVBQESA-N	321.362	1.400	50	20	DDGD	
C[C@H](CBr)COC(=O)c1ccc(C(=O)O)nc1	1588988299	ZQMQVXZGBMTIBW-SSDOTTSWSA-N	302.124	1.968	50	20	DDGD	
CC(C)(CCl)C(=O)N1CC2(CCCN2C(=O)CCC#N)C1	1842811909	FCSCOFIDWJASAU-UHFFFAOYSA-N	311.813	1.759	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)c2ccccn2)C1	1842386158	VNSLWHRXBHXSLW-NSHDSACASA-N	311.744	1.433	50	20	DDGD	
CC(=O)Nc1cnccc1C(=O)NNc1cccc(C(=O)O)c1	1589223651	UGNBKRWGVIEXBJ-UHFFFAOYSA-N	314.301	1.495	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(C(=O)O)ccc1OC(C)C	1598884398	YBHBLMVNOASCAW-UHFFFAOYSA-N	311.294	1.565	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1c[nH]c2ccccc2c1=O	1595262075	PICMSZOIWHLIGM-UHFFFAOYSA-N	324.296	1.378	50	20	DDGD	
CC(C)C[C@@H](C(=O)O)N(C)C(=O)/C(C#N)=C/c1cnn(C)c1	1591422505	IIELRXFMBUMGFC-UWUHSAQLSA-N	304.350	1.285	50	20	DDGD	
O=C(NNC(=O)c1ccc(C(=O)O)nc1)c1ccc(Cl)cc1	1594783019	RNIQNSWIVBTCJO-UHFFFAOYSA-N	319.704	1.508	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2(C(=O)O)C(C)(C)C2(C)C)o1	1594346760	IACVMIHGQWEUDM-UHFFFAOYSA-N	308.334	1.486	50	20	DDGD	
Cc1ccnc(NNC(=O)c2cc(-c3nn[nH]n3)ccc2C)c1	1592275487	NVFRTRGAFGKBSO-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
Cc1c[nH]cc1C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1591832758	LIISZJQDBGLOQK-UHFFFAOYSA-N	316.325	1.372	50	20	DDGD	
C[C@H]1CCc2[nH]nc(C(=O)NNc3ccc(C(=O)O)cn3)c2C1	1594448001	MBEZIBFGXQSVGB-QMMMGPOBSA-N	315.333	1.385	50	20	DDGD	
CCn1c(NNC(=O)[C@@H](N)C(C)(C)C)nc2ccccc2c1=O	150743297	PVSMYAMJBYCYFT-GFCCVEGCSA-N	317.393	1.233	50	20	DDGD	
CC1=C(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)CCCO1	158911197	BSWVBKBTLVWDSS-NSHDSACASA-N	322.336	1.825	50	20	DDGD	
Cn1cccc(NC(=O)NNc2cnc3ccccc3n2)c1=O	160768284	QSOGSZKLLPHNCT-UHFFFAOYSA-N	310.317	1.477	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2cnc3ccccc3n2)c1	163592879	OUJYOADKENKNGU-UHFFFAOYSA-N	321.340	1.746	50	20	DDGD	
CC(=O)Nc1nc(C(=O)NNc2cccc(C#N)c2)cs1	152399243	HKCUETXMFCAMNB-UHFFFAOYSA-N	301.331	1.730	50	20	DDGD	
C[C@]1(NNC(=O)Nc2ccc(F)c(F)c2)CCS(=O)(=O)C1	152782408	HMSNKYDAODUOSH-LBPRGKRZSA-N	319.333	1.168	50	20	DDGD	
O=C(NNc1cccc(F)c1)[C@H]1CC(=O)N(CC(F)(F)F)C1	155045109	JTQSRGZXZSBWTM-QMMMGPOBSA-N	319.258	1.680	50	20	DDGD	
COc1ccncc1NC(=O)C(=O)NNc1ccccc1F	155568016	ZFTFZXBFCSVABP-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)COc1ccc(C#N)cc1	154874496	JRXMAMQURQTHKV-UHFFFAOYSA-N	314.345	1.071	50	20	DDGD	
C[C@@H](NS(=O)(=O)c1ccc(CCl)cc1)c1ncn(C)n1	391722862	UMPDMVUJLJKGCQ-SECBINFHSA-N	314.798	1.593	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)Nc1ccccc1	9885192	QFJTYDVXOAWIFH-UHFFFAOYSA-N	309.329	1.889	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@@H]2CCCN(C)C2)cc1	108588834	KCXNFRWUIRYZCZ-AWEZNQCLSA-N	318.421	1.535	50	20	DDGD	
Cn1cc(Cl)cc1C(=O)NNC(=O)Cc1ccc(F)cc1	24303341	PNAABVSTUKNWMX-UHFFFAOYSA-N	309.728	1.821	50	20	DDGD	
COc1ccc([C@H](CNC=C(C#N)C#N)N2CCOCC2)cc1	22920781	WFURHALMANOOSW-KRWDZBQOSA-N	312.373	1.589	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NC(C)C)cc1OC	63271395	SHFYAVXLGBHVMZ-UHFFFAOYSA-N	309.366	1.375	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccc(C)cc2)c1O	60792313	OTIVDCCTKPNDLD-UHFFFAOYSA-N	300.314	1.784	50	20	DDGD	
Cc1cc(-n2c(C)cc(C(=O)NNC(=O)NC(C)C)c2C)no1	119533288	PLFHEUGQCFDUEW-UHFFFAOYSA-N	319.365	1.743	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(Cl)nn1)C(C)(C)CN(C)C	119676337	MPZOCBUPEHCWIV-SECBINFHSA-N	314.821	1.732	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCCNc2ccccn2)o1	177295558	OEWIIRQJQOOZOJ-UHFFFAOYSA-N	317.349	1.429	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)Nc1ccc(F)cn1	122866252	BLSPBIMMEFFJHH-UHFFFAOYSA-N	322.271	1.592	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)C1(O)CCCC1	303219979	IDENDHUCDKEOMZ-UHFFFAOYSA-N	301.346	1.163	50	20	DDGD	
COCCCCC(=O)NNC(=O)c1cc(Br)c[nH]1	122188225	GSUQTSASXVSJFR-UHFFFAOYSA-N	318.171	1.355	50	20	DDGD	
CCc1c[nH]c(SCC(=O)NNC(=O)c2ccc(C)cc2)n1	129060329	KNZNIYWBSQMIEW-UHFFFAOYSA-N	318.402	1.834	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)Cc2c[nH]c3ccccc23)n[nH]1	121051829	OLPDJBTVVQSUPJ-UHFFFAOYSA-N	311.345	1.132	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccnc1OCC(F)F	183428065	NPYNJMQYZSORCI-MRVPVSSYSA-N	316.308	1.924	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)C(=O)Nc1ccc(F)cc1Cl	123168697	DSZNQKCERIVTMO-UHFFFAOYSA-N	324.699	1.207	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)CC(F)(F)F)cc1OC	120549161	BQDGJBPJNNEUIE-UHFFFAOYSA-N	320.267	1.807	50	20	DDGD	
O=C(CNC(=O)c1cccc(F)c1)NNc1ccnc(F)c1	183357324	WJPHIRLQVRZEHQ-UHFFFAOYSA-N	306.272	1.233	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(C)CC(=O)N(C)C)cc1	123865488	QLVIOMFLDMUOBK-UVTDQMKNSA-N	315.373	1.539	50	20	DDGD	
CC(=O)N1CC(C(=O)NNc2cccc(C(F)(F)F)n2)C1	188392725	JYDFKZFOVBQTTR-UHFFFAOYSA-N	302.256	1.022	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)Cc2ccc(O)cc2)c1	181127656	IHRYFSDDGPHWIZ-UHFFFAOYSA-N	320.370	1.482	50	20	DDGD	
CC(C)CCCCCCNC(=O)NNC(=O)C(=O)NC1CC1	125429855	TTWMPNRSDGZVPZ-UHFFFAOYSA-N	312.414	1.202	50	20	DDGD	
COc1ccc(F)cc1NC(=O)NNC(=O)Cc1ccncc1	183459465	YJQUZYIUIUAFAI-UHFFFAOYSA-N	318.308	1.625	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2O)o1	187798271	CIRQCZSJXWKRBJ-UHFFFAOYSA-N	305.246	1.277	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ccc(Cl)c(F)c2)no1	130459468	KNXWORWAGBEVJZ-UHFFFAOYSA-N	312.688	1.857	50	20	DDGD	
O=C(CCc1nc(-c2cccs2)no1)NNc1ncccn1	44716505	BFIQYJWUFLGZKN-UHFFFAOYSA-N	316.346	1.664	50	20	DDGD	
Cc1cccc(F)c1NC(=O)NNC(=O)Cc1ccncc1	133647728	ABODTQLLXBZASZ-UHFFFAOYSA-N	302.309	1.925	50	20	DDGD	
O=C(NNc1ccccn1)N[C@H]1CCN(C(=O)C2CCCC2)C1	135190003	HGJYXVRGHZCSLH-ZDUSSCGKSA-N	317.393	1.499	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C\c1ccc(NC(C)=O)cc1	192565696	LBTABKLMWRDPOT-KSSSLANASA-N	301.346	1.703	50	20	DDGD	
C[C@H]1CCC[C@H](C)C1NC(=O)NNC(=O)Cc1ccncc1	86427415	GWIOZNDROHJJML-RYUDHWBXSA-N	304.394	1.779	50	20	DDGD	
CC(C)Oc1cccc(C(=O)NNc2ncccc2[N+](=O)[O-])n1	134179324	SJBZALSJBIGSMQ-UHFFFAOYSA-N	317.305	1.929	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(C)o2)C12CCC2	84441548	NOZIQIUGKBEQLV-CHWSQXEVSA-N	321.377	1.880	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(F)c(Cl)cc2F)[nH]n1	134896531	RDLQFMBIWYYAHS-UHFFFAOYSA-N	314.679	1.725	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cc(F)cc(OC)c2)o1	130185635	GOEHKOWICDZQJJ-UHFFFAOYSA-N	308.265	1.971	50	20	DDGD	
CN(C)c1ccccc1NC(=O)C(=O)NNc1ccnc(F)c1	190309206	QMJFRPOUIRPOQX-UHFFFAOYSA-N	317.324	1.369	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)n1	250871962	CYNWVYCGVYTYCI-IHRRRGAJSA-N	304.394	1.474	50	20	DDGD	
COc1cccc(C=NNC(=O)Cn2nc(C)cc2C)c1O	254294796	OGTYYSLCTZTHBB-UHFFFAOYSA-N	302.334	1.364	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2CCN3CCCC[C@H]23)n1	266926475	DMBCYRMSZWZUTH-VXGBXAGGSA-N	320.397	1.047	50	20	DDGD	
C=CCCCC(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	267119362	SWYWJPIWIBWZGA-UHFFFAOYSA-N	322.361	1.830	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNC(=S)Nc1ccc(C)c(C)c1	268318907	JBJXFFBPJMMQKS-LLVKDONJSA-N	323.418	1.820	50	20	DDGD	
C[C@@H](CCN(C)C)NC(=O)NNC(=O)c1cc2ccccc2o1	267336534	MZXPOHVGFDIMMB-NSHDSACASA-N	318.377	1.717	50	20	DDGD	
O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NNc1cccnn1	365438818	SNDOQBAENGDDNA-CPWXYTRJSA-N	302.378	1.641	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1cccc([N+](=O)[O-])c1C	269605619	MGSJHTONICIMDW-UHFFFAOYSA-N	310.310	1.483	50	20	DDGD	
CSSCCNC(=O)[C@H]1COCCN1C1CCCC1	367643507	NOEOQLWUXCBPOK-GFCCVEGCSA-N	304.481	1.757	50	20	DDGD	
NC(=O)N1CCC[C@H]1C(=O)NNc1c(F)cccc1Cl	274612223	NWZZRFHMUGFYIX-VIFPVBQESA-N	300.721	1.465	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(C(=O)OC)cc1F	273390235	KKDZCPDCVZNQJA-MRVPVSSYSA-N	311.313	1.811	50	20	DDGD	
CSc1cccc(NC(=O)C(=O)NNC(=O)CC2CC2)c1C	274067870	NKOZLZFXHZEFOY-UHFFFAOYSA-N	321.402	1.603	50	20	DDGD	
CC(C)(C)c1nsc(NC(=O)NNC(=O)c2cccnc2)n1	273379499	HZWYNAFNQUQMEJ-UHFFFAOYSA-N	320.378	1.697	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cc([N+](=O)[O-])ccc1OC(F)F	272143717	AMRXRUYZIKFJMB-UHFFFAOYSA-N	315.232	1.367	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2ncccc2F)c2ccc(F)cc2N1	375925203	RXKKIHUTDKUFPG-SNVBAGLBSA-N	318.283	1.929	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccncc1Br	273488931	WJNDXTVAYLXCSU-UHFFFAOYSA-N	313.155	1.797	50	20	DDGD	
COc1cc(F)cc(CNS(=O)(=O)CBr)c1	272826351	QCFBXTCOJLNIFU-UHFFFAOYSA-N	312.160	1.606	50	20	DDGD	
COCCN(C)NC(=O)COc1ccc(C(F)(F)F)cc1	288427297	MYAYGLHPTSSDNV-UHFFFAOYSA-N	306.284	1.694	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc2cc[nH]c2c1	288001580	OUOCCZJUHJDIRG-UHFFFAOYSA-N	319.361	1.718	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCC1([S@](C)=O)CC1	282051532	BRLCJXBGRDQLHL-QFIPXVFZSA-N	324.406	1.242	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCN2C(=O)OC[C@H]2C1	372520495	FWWMVDSZJJRKRW-BDAKNGLRSA-N	319.199	1.459	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)CCc1ccc(OC)cc1	280001517	HUSWKIMPULZFNC-INIZCTEOSA-N	308.378	1.590	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNC(=O)Cc1ccc(F)cc1	289369303	OYGQLWYQXWMQSP-JTQLQIEISA-N	310.325	1.105	50	20	DDGD	
CC(C)(C(=O)NNc1cccc([N+](=O)[O-])c1)N1CCOCC1	283169402	KNIOICNPHGTULH-UHFFFAOYSA-N	308.338	1.149	50	20	DDGD	
CC1=CCCN(CC(=O)NNC(=O)Cc2ccccc2C)C1	280788514	JDLAMBQHSPRMOS-UHFFFAOYSA-N	301.390	1.337	50	20	DDGD	
CSSCCNC(=O)c1ccnc(O[C@H]2CCOC2)c1	284001672	IJKDAMHHZOBBIA-NSHDSACASA-N	314.432	1.990	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H](C)NC(=O)C(C)(C)C	288645556	LGNSSNQWCJGZMK-SNVBAGLBSA-N	322.365	1.897	50	20	DDGD	
COc1ccc2cc(NC(=O)NNC(=O)CN(C)C)ccc2c1	287215061	MTXSATUISSOIDY-UHFFFAOYSA-N	316.361	1.563	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C	293600343	CXVKSBLJYRRXTI-WXVJQZMLSA-N	321.421	1.924	50	20	DDGD	
CC(C)C(=O)Nc1cc(C(=O)NNC(=O)C(C)(C)C)ccn1	293667005	ZCQKKNVKLZKDOK-UHFFFAOYSA-N	306.366	1.483	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2n[nH]c3c2CCC3)cc1	802058875	PFIJITOBNCRGAO-UHFFFAOYSA-N	315.333	1.374	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)[C@H]2CC=CCC2)cc1	291351501	XKDVHRUXUQVHBN-LBPRGKRZSA-N	323.418	1.736	50	20	DDGD	
Cc1cc(C(F)(F)F)nn1CC(=O)NNc1cccnn1	290409045	GCNAGMNAGDRWNJ-UHFFFAOYSA-N	300.244	1.144	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCCC23OCCO3)c1	807212040	ONOOQTIWWVIOJI-CYBMUJFWSA-N	320.345	1.460	50	20	DDGD	
O=C(NCc1cnn2ccccc12)NNc1ncccc1F	805780149	HNIGYSPBZIRGAJ-UHFFFAOYSA-N	300.297	1.695	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1	298140548	HYCXLOQUIPAGCF-MRXNPFEDSA-N	320.345	1.714	50	20	DDGD	
Cc1c(F)cccc1NC(=O)C(=O)NNc1ncccc1F	807300272	GZOPJRMEKCHASJ-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
COCCOCc1ccc(C=NNC(=O)NCC2CC2)cc1	807966680	PBVJOXZYQMTEJK-UHFFFAOYSA-N	305.378	1.893	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(Br)c(F)c1	293712742	UVBNLDUHXSUXIU-UHFFFAOYSA-N	305.147	1.811	50	20	DDGD	
CS(=O)(=O)N1CCCN(/C(=C/C#N)c2ccc(F)cc2)CC1	297835247	KDUHIYMOKCGEHL-VIZOYTHASA-N	323.393	1.657	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)[C@@H]2CCCCO2)c(Cl)n1	295814866	XEXWMSVGNGZCJU-JTQLQIEISA-N	311.769	1.682	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnc(C(F)(F)F)c(C#N)c1	293353659	CDZPDXRGOMYCBR-UHFFFAOYSA-N	315.255	1.278	50	20	DDGD	
O=C(NNc1cccc2cnccc12)[C@@H]1OC[C@@H]2COCC[C@H]21	291355143	SQOQDBPJIMYVEE-JGGQBBKZSA-N	313.357	1.729	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NNc2cnnc3ccccc23)C1	802537639	UFEAGXRGGFOPTO-LLVKDONJSA-N	313.361	1.331	50	20	DDGD	
Cc1noc(C)c1[C@H](C)C(=O)NNC(=O)N=c1cc[nH]cc1	802031248	FYRLWGIJBNHABH-QMMMGPOBSA-N	303.322	1.065	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cncc(C(F)(F)F)c1	809671230	WOEWNZOCQLPAGB-UHFFFAOYSA-N	313.239	1.207	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2coc(C)c2)cc1	801110392	YAQVRCDSLOETCK-UHFFFAOYSA-N	301.302	1.296	50	20	DDGD	
Cn1cc(C(=O)NNc2nc3ccccn3n2)c(C2CCC2)n1	819935506	RSVCEJUCXKKZCB-UHFFFAOYSA-N	311.349	1.487	50	20	DDGD	
O=C1CCCCC[C@H](C(=O)NNC(=O)NCC(F)(F)F)C1	813559146	YEAGXMKTMZHBBY-QMMMGPOBSA-N	309.288	1.419	50	20	DDGD	
CO[C@H]1CCC[C@@H](C(=O)NNC(=O)COc2ccccc2F)C1	814364214	WIVHGAYMIJRVEC-NEPJUHHUSA-N	324.352	1.557	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@](C)(O)C1CCC1)c1ccccc1	813445898	LPJYZYCFLCFEJT-KRWDZBQOSA-N	304.390	1.663	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(C)[C@H](C)C(=O)O)cc1	818240126	WSYQTYKOODEWTQ-NASPGAHYSA-N	302.330	1.924	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)Cc2ccncc2)[C@]12CCCO2	819808520	OQLKSSIHIMHMDZ-GDBMZVCRSA-N	303.362	1.454	50	20	DDGD	
CC1(C)CN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C[C@H](CO)O1	817626586	BQCIMOXNSCUNTR-LPYTZGJOSA-N	316.357	1.297	50	20	DDGD	
CC(C)(C)c1nc(C(=O)NNC(=O)c2ccnnc2)cs1	817693530	NAQPDLHQVKORJI-UHFFFAOYSA-N	305.363	1.305	50	20	DDGD	
CCC(=NNC(=O)C(=O)NC(CC)CC)c1cccc(N)c1	814854293	HVHUJOZSKQRBJA-UHFFFAOYSA-N	304.394	1.804	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCCN(C=O)CC1	819432314	QJTAOXWAQPFXKV-UHFFFAOYSA-N	312.801	1.043	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNc2ncncc2F)ccc1F	814616389	RNLYQLLOSNYULY-UHFFFAOYSA-N	323.259	1.690	50	20	DDGD	
Cc1nc(N2CCOCC2)sc1C(=O)NN=CC1(C)COC1	814749689	IXTXVZXELKYFFQ-UHFFFAOYSA-N	324.406	1.040	50	20	DDGD	
Cc1cccc(NNC(=O)CCc2nc(-c3nc[nH]n3)no2)c1	729268924	FNIICYMYELTFBK-UHFFFAOYSA-N	313.321	1.239	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@](C)(O)c1cccc(C(F)(F)F)c1	823947237	UZTOOWMLKHZMQO-NOZJJQNGSA-N	320.311	1.257	50	20	DDGD	
CN(CCCC(=O)NNc1nc(O)c2ccccc2n1)C(=O)O	828285865	WFCYUZBBZCSKDX-UHFFFAOYSA-N	319.321	1.169	50	20	DDGD	
CCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)CCl	829692018	GYNOHVIOVFFIII-UHFFFAOYSA-N	322.789	1.290	50	20	DDGD	
O=C(CCN1CCOC1=O)NNc1c(F)cccc1Cl	495509744	IUVXBMUQXWBBLX-UHFFFAOYSA-N	301.705	1.765	50	20	DDGD	
COCc1ccc(C(=O)NNC(=S)NCC2CCC2)cc1	727866538	NEBDJSOLTHPZLU-UHFFFAOYSA-N	307.419	1.742	50	20	DDGD	
CCN(C)[C@H](C(=O)NNc1cc(C)nc(N)n1)c1ccccc1	828367011	HACKEWILMBGMTL-AWEZNQCLSA-N	314.393	1.503	50	20	DDGD	
CC1(C)Cc2cccc(NC(=O)NNC(=O)c3cc[nH]n3)c2O1	822906230	GDBBDQOCXSHGGD-UHFFFAOYSA-N	315.333	1.590	50	20	DDGD	
NC(=O)N1CCC(=NNC(=O)Cn2ccc3ccccc32)CC1	729637677	IOINJCMAXVMRQD-UHFFFAOYSA-N	313.361	1.288	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@@]2(C)CCOC2)cc(C#N)n1C	490637652	HQJYDXZGNPKFOV-VNOAQLAMSA-N	312.373	1.655	50	20	DDGD	
C[C@H]1CC(=NNC(=O)NCCNC(=O)OC(C)(C)C)[C@@H](C)O1	496200057	LVARWXIZBMMEIK-VHSXEESVSA-N	314.386	1.364	50	20	DDGD	
CCCNC(=O)NN=Cc1ccccc1O[C@H](C)C(=O)OC	901177452	SFJQUXPOUARTNT-LLVKDONJSA-N	307.350	1.670	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)/C=C\Sc1cc(F)ccc1F	823927850	HMZZLVYCBIPPLV-UDIARPCQSA-N	302.346	1.914	50	20	DDGD	
CN(NC(=O)CN1CCCCCCC1=O)C(=O)OC(C)(C)C	495931856	RJWIEMDJIGQGRY-UHFFFAOYSA-N	313.398	1.677	50	20	DDGD	
Cc1noc(C)c1C=NNC(=O)c1cccc(-c2nn[nH]n2)c1	737537798	LHXILVZNBWQVEG-UHFFFAOYSA-N	311.305	1.235	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1CCCc2sccc2C1	827298616	JOVGWJZYQRLVSX-ZYHUDNBSSA-N	323.418	1.662	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@@H](C)CN2CCOCC2)c(C)c1	901154544	RUDHMCHCALOFBD-AWEZNQCLSA-N	319.405	1.422	50	20	DDGD	
Cc1cc(C)c(C)c(OCCC(=O)NNC(=O)NC2CC2)c1	730532194	IJEJODGLVVGRLH-UHFFFAOYSA-N	305.378	1.874	50	20	DDGD	
COCCOC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(F)cc1	490876405	KEBATMAXCPVZEO-ZMTLZGASSA-N	306.337	1.900	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)COc1cccnc1)c1ccccc1	732132259	FKIFJMBKDKJVTG-HNNXBMFYSA-N	313.357	1.802	50	20	DDGD	
Cc1ccc(N2CCC[C@@H](NCc3ccccc3B(O)O)C2)cc1	585027702	YBFRQCJYJXKMLF-QGZVFWFLSA-N	324.233	1.433	50	20	DDGD	
C#CCOc1ccc(CNC(=O)NNC(=O)C2CCCC2)cc1	836424851	NWAHTCWJJYDTNW-UHFFFAOYSA-N	315.373	1.719	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)ccn1	496009636	JFBYTMXNHLPYOS-UHFFFAOYSA-N	322.365	1.066	50	20	DDGD	
C[C@@]1(C(=O)NCC(=O)N2CCCCC2)C[C@H]1Br	906547670	FNSXCHQMYQVTKE-BXKDBHETSA-N	303.200	1.289	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(F)cn1)c1nnc2n1CCC2	731364921	TVFPJPWJWWWLCZ-MRVPVSSYSA-N	305.317	1.146	50	20	DDGD	
COCCCOCC(=O)NNc1cccc(Br)n1	837212710	UIYIOFZJHXNYNN-UHFFFAOYSA-N	318.171	1.340	50	20	DDGD	
O=C(CCc1nc(-c2ccccn2)no1)NNC(=O)C1CCC1	732140967	GJTDGKXEVJXNOH-UHFFFAOYSA-N	315.333	1.012	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2CCN(C)[C@@H]2C)ccc1F	839788851	LQPXSKAZGBHDEX-MWLCHTKSSA-N	309.341	1.396	50	20	DDGD	
CC(=O)Nc1cccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	831127087	AZVZWERPUYXYES-RNCFNFMXSA-N	320.349	1.223	50	20	DDGD	
Cc1ccc(OCCNC(=O)NNc2ccncn2)c(C)c1	836199228	CPWZZUUBDHXIGY-UHFFFAOYSA-N	301.350	1.799	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1cn2cc(Cl)ccc2n1	735411464	DYAPBSOSHFLTBI-UHFFFAOYSA-N	302.725	1.783	50	20	DDGD	
COc1ccc(CNC(=O)NNc2ccc(C)nn2)cc1O	730064835	OTURKBCLBGJVQS-UHFFFAOYSA-N	303.322	1.326	50	20	DDGD	
O=C(NNc1ncccc1Cl)c1ccc(-c2nn[nH]n2)cc1	738138316	YQAWAELGCVNNAB-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
Cc1cc(C)c(NC(=O)NNC(=O)Cc2ccncc2)c(C)n1	836630974	BNTKZCVJUHFZHZ-UHFFFAOYSA-N	313.361	1.797	50	20	DDGD	
CC[C@H](Cc1ccccc1)C(=O)NNC(=O)[C@@H]1CCCCO1	833250414	GNFBMQIPWVTDNJ-CABCVRRESA-N	304.390	1.972	50	20	DDGD	
O=C(NNC(=O)C1CN(C2CCCCC2)C1)NC1CCCCC1	837310677	GIKMOVNACRFTMJ-UHFFFAOYSA-N	322.453	1.914	50	20	DDGD	
CCC[C@H](C)[C@@H]1CCCN1C(=O)c1ccc(B(O)O)c(F)c1	584963534	UTLXBMVYRJTEJP-NHYWBVRUSA-N	307.174	1.546	50	20	DDGD	
CCc1nc(CNC(=O)NNC(=O)Cc2ccc(F)cc2)co1	838696438	CHYRTPFRIABSOR-UHFFFAOYSA-N	320.324	1.449	50	20	DDGD	
Cc1ncc2c(n1)CC[C@H](NC(=O)[C@@]1(C)C[C@H]1Br)C2	905920488	CDGSSGAVWBTOGT-SUHUHFCYSA-N	324.222	1.932	50	20	DDGD	
C[C@@H]1CCc2c(sc3ncnc(N4CC[C@H](B(O)O)C4)c23)C1	585073067	IADBRZWACPAWOF-ZJUUUORDSA-N	317.223	1.869	50	20	DDGD	
C[C@@H](COc1ccccc1)NC(=O)NNC(=O)[C@H]1CCCCO1	837742535	CJIVAULGUIBDRZ-GXTWGEPZSA-N	321.377	1.353	50	20	DDGD	
O=C(NNc1nccnc1Cl)C1(C(=O)NC2CC2)CCC1	734261094	QSHNAWMICVVHAM-UHFFFAOYSA-N	309.757	1.022	50	20	DDGD	
Cc1nc(-c2ccc(S(=O)(=O)NNC(=O)C(C)C)cc2)co1	735265189	ASWRQSNPPYQAEJ-UHFFFAOYSA-N	323.374	1.616	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NC[C@@]1(C)CCC(=O)N1	838732928	ILZKVVURSGIUTM-MRXNPFEDSA-N	304.394	1.852	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H]1CCN(c2ccccc2Cl)C1	910148510	TWLQASKMMORPKW-RYUDHWBXSA-N	311.813	1.510	50	20	DDGD	
C=CCNC(=S)NNC(=O)CSc1cccc(OC)c1	918687447	RIKBGEDYCYKPEX-UHFFFAOYSA-N	311.432	1.469	50	20	DDGD	
O=C(COc1ccc(Cl)cc1)NNc1ccc(C(=O)O)cn1	833764788	VGVADGNZCCRWRB-UHFFFAOYSA-N	321.720	1.955	50	20	DDGD	
COC(=O)C12CC(C(=O)OC[C@@H](C)CBr)(C1)C2	830517637	BNEDNSITQFHHJO-RKWZHAFESA-N	305.168	1.904	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@H]2C[C@@H]2C(=O)O)c(Cl)c1	832948387	JZWGCOAASYQIMY-YUMQZZPRSA-N	311.725	1.522	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NN=Cc3ccnn3C)n[nH]2)cc1	915966944	AKKDWZBCTNRHBX-UHFFFAOYSA-N	308.345	1.883	50	20	DDGD	
COC(=O)N1CCC(C(=O)NN=c2cc[nH]cc2Cl)CC1	832243923	ZTIJKLDZHWWZLJ-UHFFFAOYSA-N	312.757	1.078	50	20	DDGD	
Cc1ccsc1CCCC(=O)NNc1nnc(C)c(O)n1	749186847	RXOIHBFMOLWGAN-UHFFFAOYSA-N	307.379	1.722	50	20	DDGD	
C[C@H](CCO)SCC(=O)NNC(=O)c1cccc(Cl)c1	742452992	IBTYYVMYJMPIBP-SECBINFHSA-N	316.810	1.605	50	20	DDGD	
CC(C)CCCCCC(=O)NNC(=O)CNC(=O)c1ccco1	747876879	JLMXSIQUBWODCK-UHFFFAOYSA-N	323.393	1.763	50	20	DDGD	
O=C(CCOc1ccc(F)c(Cl)c1)NNC(=O)C1CC1	915616982	GVYFOKYNAIYTRQ-UHFFFAOYSA-N	300.717	1.805	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cnn(CC(=O)OC(C)(C)C)c1	843922340	GTSAQFYXODYDNY-ZHACJKMWSA-N	320.349	1.607	50	20	DDGD	
O=C(NCCc1ccccc1[N+](=O)[O-])NNC(=O)C1CCCC1	745882015	UHYWSBMAKXALJI-UHFFFAOYSA-N	320.349	1.658	50	20	DDGD	
C/C(=C\c1ccco1)C(=O)NNC(=O)CNC(=O)OC(C)(C)C	847678083	MBGQDCYTBPUYMZ-CSKARUKUSA-N	323.349	1.355	50	20	DDGD	
COC(=O)c1ccc(C(C)=NNC(=O)[C@@H]2CCO[C@H]2C)cc1	842555158	QEOYVZKHZJFRGY-SMDDNHRTSA-N	304.346	1.738	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@H]1CC[C@@H](CN)C1)c1ccccc1	842010222	HVWCJQZASNNIGN-SNPRPXQTSA-N	318.421	1.638	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)COc1cccc(C)c1)C(C)C	743636037	CMHAPNMFRQILCN-CQSZACIVSA-N	323.393	1.375	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1nc(-c2ccccc2)no1	842556069	NBOMQDLSTIEKNU-JQWIXIFHSA-N	300.318	1.612	50	20	DDGD	
C#CCCOc1ccc(C=NNC(=O)[C@@H](C)OCCOC)cc1	748259882	YSFZFLVIUAYLAO-CQSZACIVSA-N	318.373	1.590	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)c(Cl)c1	844582691	MJPNENJELTVCEP-VIFPVBQESA-N	317.798	1.036	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1C[C@]12CCCc1ccccc12	743339988	WFAYGQBONAWMBU-QAPCUYQASA-N	324.384	1.773	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNc1ccnc(N(C)C)n1	740102985	SUVDLKRGYCLQRU-SNVBAGLBSA-N	319.340	1.592	50	20	DDGD	
COC(=O)c1sc2ncc(C(C)=NNC(N)=O)cc2c1C	914772445	WYVNPDCWSVNSJC-UHFFFAOYSA-N	306.347	1.784	50	20	DDGD	
C=CCOc1ccccc1C(=O)NNc1nccn(C)c1=O	747937436	FUOJCUQDRCPVCF-UHFFFAOYSA-N	300.318	1.102	50	20	DDGD	
COc1ccc(SCC(=O)NNc2nccc(OC)n2)cc1	914762703	AYWYGIWQMWDOIO-UHFFFAOYSA-N	320.374	1.729	50	20	DDGD	
CCCCOc1cccc(NC(=O)NNC(=O)CCCN)c1	841073290	GTSCDLDPOCLQPH-UHFFFAOYSA-N	308.382	1.757	50	20	DDGD	
COc1ccc2cc(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)[nH]c2c1	843972411	GWCISTBGSVDVEP-BXKDBHETSA-N	317.345	1.363	50	20	DDGD	
COc1ccc(F)cc1S(=O)(=O)NNC(=O)OC(C)(C)C	842574234	UYUWDCOXIBVSCV-UHFFFAOYSA-N	320.342	1.552	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1ccc(Br)cn1	842555931	RPEOPMWIPYRNTR-LDYMZIIASA-N	312.167	1.719	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCOc2ccccc2)c(C)[nH]1	747177860	YHNCLZFTAYNOEV-UHFFFAOYSA-N	301.346	1.862	50	20	DDGD	
CO[C@H](C=NNC(=O)c1ccc(O)c(Cl)c1)[C@H]1CCOC1	841624482	FJPZKAGASOULJO-GXFFZTMASA-N	312.753	1.813	50	20	DDGD	
CSCC1(CC(=O)NNc2cc(Cl)nc(N)n2)CC1	845933769	GKHJMFDXNJHAHQ-UHFFFAOYSA-N	301.803	1.689	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)/C=C\COC)cc1	841375988	NVIIKONBYRGRHN-PLNGDYQASA-N	309.391	1.606	50	20	DDGD	
CSc1nc(C2CC2)cc(C(=O)NNC(=O)N(C)C)c1C#N	746003794	SRJNQNIJCRZPJP-UHFFFAOYSA-N	319.390	1.469	50	20	DDGD	
CC(C)C(=O)NNC(=O)CCCOc1ccc(F)cc1F	921302484	WVQJHOVUUSLLDO-UHFFFAOYSA-N	300.305	1.927	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC2CC(C)C2)c(OC)c1	856832998	VTLXUTXPBQAHIK-UHFFFAOYSA-N	321.377	1.694	50	20	DDGD	
COCC[C@@H]1NC(=O)N(C[C@@]2(C)C[C@@H]2Br)C1=O	857227245	JAWNBYYXNBKDRL-DKCNOQQISA-N	305.172	1.117	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]32)c1	857149173	PWGAJWHALCVLJY-UPJWGTAASA-N	302.378	1.528	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)CN1CCCS1(=O)=O	928336343	KXWDAEBSNSTCFI-UHFFFAOYSA-N	317.798	1.127	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)C1(C(=O)NC2CC2)CCC1	855468466	YMHVCPBTVIEOES-UHFFFAOYSA-N	308.769	1.627	50	20	DDGD	
COCCCOCCC(=O)NNc1nccnc1C1CCC1	854459536	KZNOMGIFQABTCJ-UHFFFAOYSA-N	308.382	1.630	50	20	DDGD	
CCC[C@H](C(=O)NNc1cc(F)ccc1C)S(N)(=O)=O	855370459	YXCUZULQDQYIST-LLVKDONJSA-N	303.359	1.034	50	20	DDGD	
CCOc1cccc(CCC(=O)NNC(=O)N2CCOCC2)c1	858906313	UFPZRSDSYNYUIH-UHFFFAOYSA-N	321.377	1.091	50	20	DDGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCC(O)(CO)CC1	852499293	GIWBPZYVCJBRTF-CPSFFCFKSA-N	303.318	1.278	50	20	DDGD	
O=C(NC[C@@H]1CCN1Cc1ccccc1)NNC(=O)C1CCC1	852704211	VMXGFCNRKZWGAJ-HNNXBMFYSA-N	316.405	1.391	50	20	DDGD	
Cc1nnc2n1C[C@H](C(=O)NNc1cccc([N+](=O)[O-])c1)CC2	750789478	UMHKODURXQCVDD-SNVBAGLBSA-N	316.321	1.200	50	20	DDGD	
C[C@H](C(=O)NC[C@]1(C)C[C@@H]1Br)c1cnn(C)c1	857393710	MKSAWRXPZSAEDP-PEXQALLHSA-N	300.200	1.813	50	20	DDGD	
CNC(=O)NN=Cc1ccc(OCc2ccncc2)c(OC)c1	920378073	URJNUDFUFZQBFI-UHFFFAOYSA-N	314.345	1.932	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NNC(=O)C2CCCC2)C1	751081027	PNWOFOYETPDBFN-JSGCOSHPSA-N	323.437	1.609	50	20	DDGD	
COC[C@@H](NC(=O)NNc1cccc(C(=O)OC)c1C)C1CC1	853887144	RGWACEUOXASNEV-CQSZACIVSA-N	321.377	1.833	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cn(-c2ccccc2)nn1	755578013	ZQDREKVZVHTXDD-UHFFFAOYSA-N	314.393	1.449	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H](C)Cn1ccc2ccccc21	854920590	DSRDGDHWZHKZAF-NSHDSACASA-N	304.419	1.745	50	20	DDGD	
O=C(NC[C@@H]1CCCCO1)NNc1ccc([N+](=O)[O-])cc1F	853484540	NRICJIVDFAVACX-JTQLQIEISA-N	312.301	1.929	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)NNc2ccc([N+](=O)[O-])cc2F)C1	855622757	KOMNCVQBWHJOPA-AWEZNQCLSA-N	324.312	1.436	50	20	DDGD	
O=C(NNC(=O)c1cc2c([nH]1)CCCC2)OCC(F)(F)F	856027511	PAEAOOQLTJKXQD-UHFFFAOYSA-N	305.256	1.827	50	20	DDGD	
CCOC[C@H](NC(=O)NNc1ncc(Cl)cn1)C(C)C	856886129	GNBVVZQLNXCSLK-JTQLQIEISA-N	301.778	1.817	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc2c(C)nn(C)c2c1	931504839	PKKMOEWMFSODKI-UHFFFAOYSA-N	313.361	1.838	50	20	DDGD	
O=C(NC[C@H]1COCO1)[C@@]12CC[C@@H](C[C@H]1Br)C2	861974617	QSKGZXPOJXNYOQ-UXCLJVHYSA-N	304.184	1.429	50	20	DDGD	
CC1=C(C(=O)NN[C@H](C)C(F)(F)F)[C@@H](C)n2ncnc2N1C	862318223	NKLUXFXXXWLUTF-HTQZYQBOSA-N	318.303	1.135	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cc(Br)cc(F)c1O	864443940	OMDALOVGTFSHRS-UHFFFAOYSA-N	317.114	1.465	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1n[nH]c2ccccc12	768579324	XPCPFZNHZJRXRN-UHFFFAOYSA-N	312.358	1.589	50	20	DDGD	
COc1cnc(NC(=O)NNCC(F)(F)C(F)(F)F)s1	861065859	ICTNHLUQNXAJHZ-UHFFFAOYSA-N	320.243	1.975	50	20	DDGD	
CC(C)[C@@H]1CNCCN1C(=O)NC[C@@]1(C)C[C@@H]1Br	861654758	WANQRFHIRVLAKA-GMXVVIOVSA-N	318.259	1.799	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1coc(SC)c1	869772942	CTWUMDJOXYEORL-SSDOTTSWSA-N	300.336	1.104	50	20	DDGD	
C[C@@H](NNC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)C(F)(F)F	862306557	BPQPDMAHLJKXRE-NXEZZACHSA-N	321.343	1.739	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCCc1ccn(C)n1	760688163	AINPDWVRCYTQSA-UHFFFAOYSA-N	316.365	1.307	50	20	DDGD	
Cn1nc(C2CCOCC2)cc1NC(=O)NNC(=O)CC1CC1	861517126	GDRZTWBJGTVSDK-UHFFFAOYSA-N	321.381	1.267	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCC1CN(C(=O)OC(C)(C)C)C1	762432442	RTWVFAIBNPPLBY-WQLSENKSSA-N	309.366	1.413	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=CC[C@H]1CCOC1	765570071	QARFSIPRUZXOTF-YJNKXOJESA-N	311.426	1.260	50	20	DDGD	
O=C(NNc1ncccn1)N[C@H]1COc2ccc(Cl)cc21	762353579	GANZJURGZUBASF-JTQLQIEISA-N	305.725	1.890	50	20	DDGD	
CCNC(=O)NNC(=O)/C(C)=C\c1ccc(Br)o1	865015862	NHXVOOXDALGPSX-SREVYHEPSA-N	316.155	1.796	50	20	DDGD	
Cc1ccc([C@@H](C)[C@@H](O)C(=O)NNC(=O)c2ccccn2)cc1	764580464	DCPCXEYSGLLUBS-IUODEOHRSA-N	313.357	1.316	50	20	DDGD	
CCC[C@H](CC1CCCC1)C(=O)NNC(=O)[C@H]1CCC(=O)N1	862456030	UMCNFAHMPXGNIV-CHWSQXEVSA-N	309.410	1.409	50	20	DDGD	
CC(C)n1nccc1C(=O)NNCC(F)(F)C(F)(F)F	863097288	HKPNJGMFVZNKPJ-UHFFFAOYSA-N	300.231	1.896	50	20	DDGD	
Cn1c(SCC(=O)NN=C2CCOC2)nc2ccccc21	764733489	WSJPTAVSSXLCLJ-UHFFFAOYSA-N	304.375	1.558	50	20	DDGD	
CNC(=O)N1CCN(C(=O)[C@@H](Br)C(C)(C)C)CC1	768222083	DFBHJACQZBJWKK-SECBINFHSA-N	320.231	1.280	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)CN1CCCC1	873853912	OSKSLWWXKNSCNQ-UHFFFAOYSA-N	320.462	1.971	50	20	DDGD	
COC[C@H](C)C(C)=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1	777880210	QVSWZFVNYLTXLT-RQJABVFESA-N	313.442	1.506	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1	875371848	SMQYREDYQFQCIU-TZMCWYRMSA-N	320.393	1.562	50	20	DDGD	
Cc1cc(NNC(=O)CCCOC2CCOCC2)nc(C)n1	878896779	WCSRGMKIVAFJIF-UHFFFAOYSA-N	308.382	1.512	50	20	DDGD	
CSc1cccc(C)c1NC(=O)C(=O)NNC(=O)CC(C)C	770774757	UOJURBIXEOWZHJ-UHFFFAOYSA-N	323.418	1.849	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CCO[C@@H]2C)c(Cl)cc1O	872384385	PZUOGXMKIUZZBG-SCZZXKLOSA-N	312.753	1.929	50	20	DDGD	
C=Cn1cc(C=NNC(=O)[C@H](C)CN2CCC(C)CC2)cn1	773027274	YRTOSUAFXDELOM-CQSZACIVSA-N	303.410	1.802	50	20	DDGD	
C[C@H](CBr)COC(=O)[C@H](C)CS(C)(=O)=O	770390011	GBMYBNYCSNHSNV-HTQZYQBOSA-N	301.202	1.241	50	20	DDGD	
Nc1cnnc(NNC(=O)NC[C@H]2C[C@H]3CC[C@H]2C3)c1Cl	1116764808	IGYOPFPUXPIDHO-XHNCKOQMSA-N	310.789	1.775	50	20	DDGD	
CC[C@@H]1[C@H](C)CCN1CC(=O)NNC(=O)c1cccc(C#N)c1	775782375	FUPLIUCWCSQQNQ-IUODEOHRSA-N	314.389	1.440	50	20	DDGD	
CSSCCNC(=O)[C@H]1CC(c2cnn(C)c2)=NO1	1120649013	QOJVHYRSQAKSIQ-SNVBAGLBSA-N	300.409	1.041	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cccc2c1OC(C)(C)C2	887151785	JSEVTGURHVXRFM-UHFFFAOYSA-N	300.358	1.965	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)[C@H]1C[C@H]2CC[C@H]1O2	771533857	DLMOPVCDGZIUOO-KXUCPTDWSA-N	312.167	1.855	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)c3ccccc3Cl)nc21	770983877	RHYGPMOHBGCWAO-UHFFFAOYSA-N	318.724	1.479	50	20	DDGD	
CCSCC[C@@H](C)NC(=O)NNC(=O)C1CCOCC1	883483595	NBBSQZWIRFNNCA-SNVBAGLBSA-N	303.428	1.275	50	20	DDGD	
CC[C@H](Cc1cn(/C=C/CBr)nn1)C(=O)OC	881294764	CESZWWFJHXGBQA-OTQAPUNGSA-N	302.172	1.885	50	20	DDGD	
Cc1nnc(NNC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)nc1O	782111600	IWEZEOLZUIJCHH-GHMZBOCLSA-N	309.370	1.170	50	20	DDGD	
CC(=O)Nc1cccc(C(=O)NNC(=O)c2ccccn2)c1C	785400724	ANQDTEQTNGKZKU-UHFFFAOYSA-N	312.329	1.423	50	20	DDGD	
CCC1(CC)CCC(NC(=O)NNC(=O)C(=O)NC2CC2)CC1	788913322	ZSBULJGFYLUWRN-UHFFFAOYSA-N	324.425	1.344	50	20	DDGD	
Cc1cccc2cc(C(=O)NNC(=O)C3CCOCC3)oc12	883062997	ZJFFMZQIUXGQND-UHFFFAOYSA-N	302.330	1.929	50	20	DDGD	
CNC(=O)NN=Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1	783830898	FBYUYHDNHBFWIT-UHFFFAOYSA-N	313.148	1.837	50	20	DDGD	
C[C@@H]1CCC[C@H](CNC(=O)NNC(=O)C2CCOCC2)[C@@H]1C	883620500	JCSNVLWVWQTJDW-YRGRVCCFSA-N	311.426	1.816	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)c2coc(C)c2)cc1	781371774	UNDQKDFOVBLCGX-UHFFFAOYSA-N	316.313	1.514	50	20	DDGD	
CC(C)CCOCCNC(=O)NNc1ncncc1Cl	780976631	WCMBGMKRXGTBLV-UHFFFAOYSA-N	301.778	1.819	50	20	DDGD	
O=C(CSc1nncs1)NNc1ncncc1Cl	781833571	KTFXTMVZSIOIBT-UHFFFAOYSA-N	302.772	1.217	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C[C@@H]1C(=O)Nc2ccccc21	899995638	YMSTYVFZJHFFTP-JTQLQIEISA-N	320.418	1.406	50	20	DDGD	
O=C(CCOc1ccc(F)cc1)NNC(=O)C1CCOCC1	894097181	DRVVOKZPKVUMMJ-UHFFFAOYSA-N	310.325	1.169	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)cc1)[C@]1(C)CCCO1	782178016	YXFIRNWDUBWVHA-INIZCTEOSA-N	303.362	1.995	50	20	DDGD	
CO[C@]1(C(=O)NNc2cccc(F)c2[N+](=O)[O-])CCSC1	897609879	IKRSXPMIYXTTOI-GFCCVEGCSA-N	315.326	1.699	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@H]2CC(c3cn(C)nc3C)=NO2)c1	896298524	RLZADRNFFNZDSV-CYBMUJFWSA-N	314.349	1.068	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(-c2ccoc2C)on1	786211000	PXWKVDSPMCTYFZ-UHFFFAOYSA-N	308.294	1.432	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2ccn(CC(F)F)n2)n1	797632717	PDVFODLJKSMHGV-UHFFFAOYSA-N	324.291	1.318	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCc2cccc(CO)c2)n1	792985687	LSLPLTTZPCRICS-UHFFFAOYSA-N	314.345	1.027	50	20	DDGD	
C[C@@H](Oc1ccc(C=NNC(=O)NCC2CC2)cc1)C(=O)O	794903844	QRDREDPDKLOTQJ-SNVBAGLBSA-N	305.334	1.582	50	20	DDGD	
C=C(CBr)COC(=O)[C@H](C)N1CCSCC1	795571255	XWUUPSFFGYYZOU-JTQLQIEISA-N	308.241	1.918	50	20	DDGD	
Cc1noc(C2CCC(=NNC(=O)c3cnn(C)c3)CC2)n1	797402725	MDGZKDRJDUNPAM-UHFFFAOYSA-N	302.338	1.555	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccc(OC(F)(F)F)cc1	794772673	DOWIJXHRFVWBJR-UHFFFAOYSA-N	317.267	1.560	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1c(Cl)nc2ccccn12	798305192	KUZFZYQIZWAQJH-UHFFFAOYSA-N	309.782	1.283	50	20	DDGD	
COc1cccc(C=NNC(=O)[C@H](C)CN2CCOCC2)c1F	799872668	BWKYRGNLZOSHRA-GFCCVEGCSA-N	323.368	1.253	50	20	DDGD	
O=C(NNc1nccnc1Cl)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41	795104932	ZHRFGFFUCDBBQU-LHBQTMGTSA-N	316.792	1.967	50	20	DDGD	
COCc1cc(C=NNC(=O)c2cc(Cl)ccc2O)no1	794886348	JHZBIKGUOPLMMO-UHFFFAOYSA-N	309.709	1.944	50	20	DDGD	
CC(=O)NNC(=O)c1c(C)nc2ccc(Br)cn12	792774103	OEAADVCSVTWPHI-UHFFFAOYSA-N	311.139	1.186	50	20	DDGD	
Cc1noc([C@@H]2CCCN2[C@H](C)C(=O)NNC(=O)CC(C)C)n1	796696543	SJWWLSJTGGEHBO-PWSUYJOCSA-N	323.397	1.097	50	20	DDGD	
COc1cccc(NNC(=O)Cc2ccc([S@](C)=O)cc2)n1	797974743	CKIOGLGZOBEPBW-QFIPXVFZSA-N	319.386	1.513	50	20	DDGD	
Cc1cc(OCC(=O)NN=c2cc[nH]cc2)ccc1[N+](=O)[O-]	797750671	GTVKXMAHLOTZMN-UHFFFAOYSA-N	302.290	1.242	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=C(C)c1ccc(O)nn1	790147827	LQIOSYZDJMVZGU-UHFFFAOYSA-N	314.345	1.664	50	20	DDGD	
CC[C@@H](NC(=O)NNc1nncc(N)c1Cl)c1ccncc1	1319221382	BEPWUMKZEXTJEC-SNVBAGLBSA-N	321.772	1.885	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C(C)(C)c2cccnc2)cc1	1319884899	KJHYSYOQLVEINH-UHFFFAOYSA-N	313.357	1.829	50	20	DDGD	
CCCCNC(=O)NNC(=O)C1(c2cccc(C#N)c2)CC1	1319533855	FZQCJMTXTBDNGU-UHFFFAOYSA-N	300.362	1.720	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	1321905525	GUVRLTGTJADKIT-FZMZJTMJSA-N	318.377	1.210	50	20	DDGD	
CC(C)CN(CC(=O)NNC(=O)N(C)C)C(=O)OC(C)(C)C	1323871435	ASJSNRBSQIWVQT-UHFFFAOYSA-N	316.402	1.182	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1ccc(F)c(N)c1	1326076230	XVFYUGSBQGTGPS-UHFFFAOYSA-N	303.384	1.474	50	20	DDGD	
Cc1oc2ncnc(O)c2c1C(=O)NNc1ncccc1F	1322799399	LXXDBZBYEKGPJX-UHFFFAOYSA-N	303.253	1.528	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NCc2nnc(C)n2C)c(C)c1	1323354354	RDXAPSDCTIDONY-UHFFFAOYSA-N	302.382	1.875	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@H]32)c1Cl	1328993385	WCWQGYXXYIAOIS-YUSALJHKSA-N	315.764	1.741	50	20	DDGD	
CCCOc1ccc(CNC(=O)NNC(=O)c2cn[nH]c2)cc1	1329722530	MTLDLXFIJSZMTE-UHFFFAOYSA-N	317.349	1.343	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ccn(C3CCCC3)n2)c1Cl	1324008890	ISXZOEUGMMGUQV-UHFFFAOYSA-N	321.772	1.781	50	20	DDGD	
O=C(N=c1cc[nH]cc1F)NNC(=O)c1ccccc1Cl	1325407788	XQBFNDXEONGGRZ-UHFFFAOYSA-N	308.700	1.763	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)c1ccccc1Cl)[C@@H]1CCCO1	1321433809	NGIFAMZCYNDYNS-STQMWFEESA-N	321.764	1.465	50	20	DDGD	
Cc1nnccc1C(=O)NNc1nnc(-c2ccccn2)s1	1320988945	LCHXOEBWJSANFE-UHFFFAOYSA-N	313.346	1.455	50	20	DDGD	
CC(C)CC(=O)Nc1ccc(NC(=O)NNC(=O)CCO)cc1	1320227792	HQBLAKWBSGQDAF-UHFFFAOYSA-N	322.365	1.206	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CCCS2(=O)=O)cc1Cl	1326814174	XKFGXFBSEIHNLK-NSHDSACASA-N	302.783	1.669	50	20	DDGD	
COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCl)cc1	1323268429	CPEZXSZKFARNBV-NSHDSACASA-N	314.794	1.774	50	20	DDGD	
COCc1ncc(CNC(=O)c2cccc(CCl)c2)c(N)n1	1337238201	USEHDZLNYGHORD-UHFFFAOYSA-N	320.780	1.874	50	20	DDGD	
CCCNC(=O)[C@@H](C)NC(=O)c1c(C)nn(CCCl)c1C	1337493562	ZOAKBZGGCAWWNB-SNVBAGLBSA-N	314.817	1.383	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)NCCCC2CC2)C[C@@H]1Br	1331079678	XPXGITQAPVSCLU-GXFFZTMASA-N	317.227	1.583	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1ccccc1SC	1337110554	BJEZCDRGIACYQU-UHFFFAOYSA-N	319.386	1.298	50	20	DDGD	
Cc1cc(Cl)ccc1NC(=O)NNC(=O)C1CCNCC1	1348510940	KUGVBWBQXLBCNJ-UHFFFAOYSA-N	310.785	1.801	50	20	DDGD	
Cc1ccc(NCCNC(=O)NNC(=O)C2CCCC2)nc1	1353086777	QKLRGPBKRXKFKL-UHFFFAOYSA-N	305.382	1.323	50	20	DDGD	
Cc1nnc(S)n1CCNC(=O)C1CCC(Cl)CC1	1351347026	QCYUBAKZVDTFOU-UHFFFAOYSA-N	302.831	1.789	50	20	DDGD	
CCOc1cc(C(=O)NNc2ccc(CC(=O)O)cc2)[nH]n1	1605658956	CXOHWYWIECEIDT-UHFFFAOYSA-N	304.306	1.192	50	20	DDGD	
Cc1c(C(=O)NNc2ccc(C(=O)O)cn2)ccc2cncn12	1607509163	UBSKFGWXFLDTNE-UHFFFAOYSA-N	311.301	1.493	50	20	DDGD	
O=C(O)Cn1cccc1C=NNC(=O)CNc1ccccc1	1602166208	CFIGAZQRHXBPMP-UHFFFAOYSA-N	300.318	1.135	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2ccc(-c3nc[nH]n3)cc2)c1	1602450365	UQOPHAWDIZAEBI-UHFFFAOYSA-N	323.312	1.927	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)N[C@@H]1CCn2ccnc21	1601558727	DYTCPCOHTJKBTE-LLVKDONJSA-N	301.306	1.352	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)CCCCC(=O)O	1604195082	ISAPGRFGHPXRCZ-UHFFFAOYSA-N	308.334	1.931	50	20	DDGD	
C/C=C(/CC)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	1603962392	KGGSNRNIGSBGDY-CLTKARDFSA-N	307.745	1.715	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)nc1	1602384320	DVXJPXLMEHRIRB-QNSHHTMESA-N	311.288	1.904	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cccc3nc(O)[nH]c23)nc1	1602383097	RXDURTOQFLGALS-UHFFFAOYSA-N	313.273	1.119	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2c(F)ccc(O)c2O)c1F	1602448587	TUKIFNXSTDNZCA-UHFFFAOYSA-N	324.239	1.831	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1c(C)noc1C	1610288030	UVTXWNJLQVNTLQ-UHFFFAOYSA-N	305.290	1.755	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@](C)(CC(=O)O)c1ccccn1	1610036383	VPFGAWQWHICOGT-NKSUMMKUSA-N	303.318	1.332	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)cc1F	1549315745	CLRVTJHHSWUQFP-IUODEOHRSA-N	321.352	1.148	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@H]1C=NNC(=O)c1ccccn1	1552760454	QKEZJYKQFKQKJK-JSGCOSHPSA-N	313.361	1.791	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccnn1C)c1ncc[nH]1	1550696564	KYJRRSHEIJRUGH-YPMHNXCESA-N	316.365	1.151	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@H]1C=NNC(=O)c1ccon1	1553288185	PZMHSCLHSYKCBO-GWCFXTLKSA-N	303.322	1.292	50	20	DDGD	
CC(C)c1cccc(OCC(=O)NNC(=O)[C@H]2CCCNC2)c1	1575859877	UJQFOUGLFHJMPM-AWEZNQCLSA-N	319.405	1.336	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)C(C)(C)c1ccccc1)[C@H](C)N	1575415633	UQRXRAQWNQGPPH-JSGCOSHPSA-N	305.422	1.731	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H]1C[C@@]12CCNC2	1578851815	XWFIJZVVGINXTK-BJOHPYRUSA-N	307.325	1.055	50	20	DDGD	
CCOCc1nc(Cl)cc(NNC(=O)CNCC(C)C)n1	1578127132	NNCGFQMTMFRNER-UHFFFAOYSA-N	315.805	1.355	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H]2CCCCN2)c1	1574151791	DQLPQOAEAUDWDW-GFCCVEGCSA-N	306.435	1.763	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1coc(/C=C/C(=O)O)c1)C1CC1	1589121805	WYGAFCKZPXNEEQ-WTSVBCDHSA-N	323.374	1.285	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1cc(C(=O)O)cnc1Cl	1589693654	UGOWPHOSBHGVRL-UHFFFAOYSA-N	314.729	1.632	50	20	DDGD	
COCCCCCNC(=O)NNc1ccc(F)c(C(=O)O)c1	1599223032	LRTAPQGAQITJLZ-UHFFFAOYSA-N	313.329	1.967	50	20	DDGD	
CC(C)N1CCC[C@@H](C(=O)NNc2ccccc2C(=O)O)C1	1591622190	ALEQCLCADAIFSI-GFCCVEGCSA-N	305.378	1.948	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1ncc[nH]1)C2	1841667132	RGQCZWJGCOEZTP-LLVKDONJSA-N	324.812	1.634	50	20	DDGD	
C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1841608747	MATMCBMQFKPEPY-MNOVXSKESA-N	318.776	1.315	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](C(=O)O)c1ccc(OC)c(O)c1	1596862112	MZGSZGADZSRQPO-KJJQSCHISA-N	320.301	1.087	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1c[nH]nc1C(C)C	1599376252	KRSLGUFBZPUFPQ-UHFFFAOYSA-N	318.333	1.997	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@H]1CCC(C)(C)O1	1599375949	JCDPBCYTOSFLRE-NSHDSACASA-N	308.334	1.794	50	20	DDGD	
O=C(O)[C@H]1c2ccccc2CCN1S(=O)(=O)CCCCl	1594964590	JXMVACKPMPSDKQ-GFCCVEGCSA-N	317.794	1.629	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1cccc2c1OCO2	1595262201	UTHJZPCOGHFGKY-UHFFFAOYSA-N	301.258	1.265	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NNc2ccc(C(=O)O)cn2)C1	1594623453	CUNIKTYTGIHBKL-KWQFWETISA-N	315.333	1.312	50	20	DDGD	
Cn1cc(C(=O)O)cc1C=NNC(=O)c1cccc(C(=O)O)c1	1776096155	NUUXZVUHSRLXJL-UHFFFAOYSA-N	315.285	1.185	50	20	DDGD	
O=C(Cc1cn2ccsc2n1)NN=Cc1ccc(C(=O)O)[nH]1	1776020040	KBGPYLMXIGSEEM-UHFFFAOYSA-N	317.330	1.115	50	20	DDGD	
N#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Cl)C2	1795856353	LIYOPIIIBKTDDP-DTHBNOIPSA-N	301.749	1.463	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)CCc1ccc(F)cc1	156137412	AFEULYXTLROHEY-UHFFFAOYSA-N	323.368	1.211	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNc1ccc(C(C)(C)C)nn1	155865552	JKMRYZQTFOAHIB-UHFFFAOYSA-N	308.382	1.807	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(F)c(F)c(O)c2F)nc1	159227240	QPMVPTMJHPEXGA-UHFFFAOYSA-N	313.235	1.970	50	20	DDGD	
CCCC(=O)N1CCC[C@@H](C(=O)NNc2ccc(OC)cn2)C1	159386431	NBEJCWBWJSENDR-GFCCVEGCSA-N	320.393	1.572	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)Cc2cccnc2)c1	103425263	QPOSCLHWIYGLNZ-ZDUSSCGKSA-N	313.357	1.547	50	20	DDGD	
Cc1ccccc1O[C@@H](C)CNC(=O)NNC(=O)c1ccc[nH]1	173210478	GSOBGDABQANOPC-LBPRGKRZSA-N	316.361	1.735	50	20	DDGD	
CCc1onc(C)c1NC(=O)C(=O)NNc1c(F)cccc1F	119877804	SNJUWSQCALTCRS-UHFFFAOYSA-N	324.287	1.905	50	20	DDGD	
C[C@@H](NCC(=O)NNC(=O)c1cccs1)c1ccccc1	102676689	PFBCMDFPODAKRM-LLVKDONJSA-N	303.387	1.860	50	20	DDGD	
CCOc1cccc(C(=O)NNC(=O)CNc2ccccc2)c1	104829843	QIAPZQJAKFLNGB-UHFFFAOYSA-N	313.357	1.958	50	20	DDGD	
CNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1	64313059	UATIEXDBHBXBBS-UHFFFAOYSA-N	321.337	1.159	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)NCC(C)(C)O)c1C	174824326	YEEXGXQZIWTEBH-OQLLNIDSSA-N	319.405	1.545	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N2CC[C@@]3(CCOC3)C2)c1	119644901	QITPCIOKEOADKC-MRXNPFEDSA-N	314.345	1.025	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@H]1C[C@]12CCc1ccccc12	173135324	NFHIJNIUGGZZNZ-APWZRJJASA-N	321.380	1.676	50	20	DDGD	
CCC(CC)[C@H](O)CNC(=O)NNC(=O)c1ccc(C)s1	111478749	RFCAGTTVDFLFIQ-LLVKDONJSA-N	313.423	1.798	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)o1	175844452	UPNXZGKFPQKQDP-WEVVVXLNSA-N	315.285	1.971	50	20	DDGD	
C[C@H](OCC1CC1)C(=O)NNc1nc2ccccc2c(=O)n1C	113188177	IEUNCHZVGMPSGF-JTQLQIEISA-N	316.361	1.192	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cccc(CC#N)c1	67436048	CWSZUCAJGHWJKQ-UHFFFAOYSA-N	309.325	1.836	50	20	DDGD	
CCOc1ccc(C(=O)CCC(=O)NNc2cnccn2)cc1	114879906	AHDPQRJWVKGRLK-UHFFFAOYSA-N	314.345	1.982	50	20	DDGD	
COc1ccccc1OCC(=O)NNc1nccnc1Cl	114894629	MHRHEEUEDQYTIZ-UHFFFAOYSA-N	308.725	1.661	50	20	DDGD	
CCN(C)[C@H](C(=O)NNC(=O)NC1CCCC1)c1ccccc1	68310062	PZPCRBFVDQSIRL-HNNXBMFYSA-N	318.421	1.952	50	20	DDGD	
COc1ccc(Cl)cc1CC(=O)NNC(=O)c1cccn1C	68525275	RQVKHOZADXBBSZ-UHFFFAOYSA-N	321.764	1.691	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cccnc1OCC(F)F	123176377	LOBYUFWTMAMPTQ-UHFFFAOYSA-N	313.239	1.412	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)CCc1ccccc1)C1CC1	126545089	CNNFSYFQNHDADB-AWEZNQCLSA-N	305.378	1.375	50	20	DDGD	
COc1cccc(NNC(=O)Cc2cccc([N+](=O)[O-])c2)n1	180684330	JTQPOKUSXHDQGV-UHFFFAOYSA-N	302.290	1.684	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCc1cccc([N+](=O)[O-])c1	126163387	OSKCANGWRSOOSE-UHFFFAOYSA-N	322.365	1.904	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2ccccc2F)n1	181516825	KXJSLXUPRBKMOY-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)C(=O)Nc1ccc(F)c(F)c1	181984577	RCOIIHSYTQFVLG-UHFFFAOYSA-N	319.267	1.365	50	20	DDGD	
CCCOc1ccc(CNC(=O)NNc2cccnn2)cn1	77663636	JQQOJGLXBNJYGO-UHFFFAOYSA-N	302.338	1.487	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccc(C)nn2)c(F)c1	123691457	KDSDRJJQRIIVLF-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NNC(=O)C(C)(C)C	123774038	WURNUMSWRQFBEI-MRVPVSSYSA-N	300.305	1.926	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cnn1C	120784227	SIIAATJUMNSXHH-SNVBAGLBSA-N	320.324	1.096	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2COc3ccc(F)cc3C2)n1	120424265	VFXVTHCAFINYJZ-LBPRGKRZSA-N	316.336	1.927	50	20	DDGD	
Cc1nc(-c2c[nH]c(C(=O)NNc3ncccn3)c2)cs1	124013253	SHSUGYJUMAZLGW-UHFFFAOYSA-N	300.347	1.994	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)nc1	184262706	YCXFJQKBLZIHHO-UHFFFAOYSA-N	315.289	1.765	50	20	DDGD	
CCCCn1cc(C(=O)NNC(=O)c2cccnc2)c(C)n1	184724396	ROCGDEUERYOGMM-UHFFFAOYSA-N	301.350	1.461	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2cc(C)ccc2F)n1	181515661	MCGAILMCHAAIPT-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1	71094958	XKJZSXNGNBDVLX-MCIONIFRSA-N	318.373	1.397	50	20	DDGD	
O=C(NNC(=O)c1cc(F)ccc1Br)NC1CC1	49128794	IKHNCWLHGRSUND-UHFFFAOYSA-N	316.130	1.695	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1C(=O)NNC(=O)OC(C)(C)C	222080419	LHGRAFHRMZCKCJ-UHFFFAOYSA-N	311.294	1.773	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1C[C@H]2CCC[C@@H]2C1	138342006	AJHDWKJSNMWUGI-HZPDHXFCSA-N	315.417	1.417	50	20	DDGD	
CN(CCC1CC1)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	135271609	BEZBVNJVDQSDRA-UHFFFAOYSA-N	320.349	1.088	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(-n2cccc2)nc1	131901539	XUDOLYJNSUURTN-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C(C)(C)O)csc1Br	192925761	YHSXYUKPDNOVLU-UHFFFAOYSA-N	321.196	1.351	50	20	DDGD	
Cn1c(=NNC(=O)c2ccc(O)nc2)sc2ccccc21	252474492	GHVQYVZWSOTEGX-UHFFFAOYSA-N	300.343	1.586	50	20	DDGD	
COc1cc(/C=C(\C#N)S(N)(=O)=O)ccc1OC(F)F	606443181	SBIUHTJKRULOCR-XBXARRHUSA-N	304.274	1.450	50	20	DDGD	
Cn1c(=NNC(=O)c2ccc3nncn3c2)sc2ccccc21	255167884	YZFUBZFTCNRVCH-UHFFFAOYSA-N	324.369	1.528	50	20	DDGD	
CC1(C)[C@H](NC(=O)NNC(=O)c2ccccc2F)[C@@H]2CCO[C@H]21	265933378	FWXLOKYPBIDPBU-CYZMBNFOSA-N	321.352	1.583	50	20	DDGD	
O=C(COc1ccc2c(c1)CCCC2)NNC(=O)C1CCC1	268850834	XXXYHKVRNOEHOL-UHFFFAOYSA-N	302.374	1.892	50	20	DDGD	
CN1C[C@@H](C(=O)NNC(=O)c2ccccc2)c2ccccc2C1=O	368467454	ARBPHLCZSTXHRE-OAHLLOKOSA-N	323.352	1.317	50	20	DDGD	
COCCC1(C(=O)NNc2ccc(C(=O)OC)cn2)CCCC1	270365372	KFMUPOKRIUEHBX-UHFFFAOYSA-N	321.377	1.908	50	20	DDGD	
COCCCN1CCC(NC(=O)NNc2ncccc2C)CC1	276741165	XWQSFINQUYHCCB-UHFFFAOYSA-N	321.425	1.517	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNc2cccnn2)CCOCC1	273151393	HTOLYHCNJXQIKC-UHFFFAOYSA-N	312.373	1.977	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(F)c(Cl)c1	276096469	FNTPGXBQXUYXMO-UHFFFAOYSA-N	316.720	1.110	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2CCC(=O)[C@H](C)C2(C)C)n1	275806878	QBIMREJCMBEQQN-QWRGUYRKSA-N	320.393	1.878	50	20	DDGD	
CS(=O)(=O)CCCCCNC(=O)NNc1cccc(F)n1	286931011	DTFBSUQGSDQTFT-UHFFFAOYSA-N	318.374	1.062	50	20	DDGD	
O=C(C[C@@H]1CCCC(=O)N1)NNc1cccc(C(F)(F)F)n1	289310007	DPPVBAHAZGAUMF-QMMMGPOBSA-N	316.283	1.602	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)NCC(F)(F)F)c(C(C)C)n1	281386658	XQKFORSKEPMCOL-UHFFFAOYSA-N	319.287	1.415	50	20	DDGD	
CN(CCC(=O)NNC(=O)c1cccn1C)C(=O)OC(C)(C)C	284830269	BAJNHXWSIVCZBW-UHFFFAOYSA-N	324.381	1.043	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2cc[nH]c2CC)nc1C	285794706	LHLKPACAVXISMX-UHFFFAOYSA-N	317.349	1.609	50	20	DDGD	
CCn1nc(NC(=O)NNc2ncncc2F)cc1C1CC1	292703244	LALKFDGCVXYSJG-UHFFFAOYSA-N	305.317	1.858	50	20	DDGD	
CN(NC(=O)c1ccc2c(c1)nnn2C)C(=O)OC(C)(C)C	297857117	ZZNDXMPMPVDEQU-UHFFFAOYSA-N	305.338	1.480	50	20	DDGD	
COCCN(C)NC(=O)c1ccccc1Oc1cnn(C)c1	293751852	YDGSECTVIFFJCY-UHFFFAOYSA-N	304.350	1.435	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cccc(C(F)F)c1	802024655	TWBHALBKXPVAGQ-UHFFFAOYSA-N	306.272	1.908	50	20	DDGD	
O=C(NNc1cccc(F)n1)Nc1ccc(-n2cccn2)nc1	806205522	AYWCDIMBZUCACD-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
CN(NC(=O)c1cccc2[nH]c(=O)oc12)C(=O)OC(C)(C)C	297486495	AIPYKQCUNAUGRS-UHFFFAOYSA-N	307.306	1.633	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNC(=O)c1ccc(Cl)cc1F	806995243	QYBQMEFYMHOLMI-UHFFFAOYSA-N	323.711	1.462	50	20	DDGD	
C[C@H](C[S@@](C)=O)NC(=O)NNc1cc(C(F)(F)F)ccn1	296667105	OKBXGENBQAHBBQ-WODJRTHDSA-N	324.328	1.494	50	20	DDGD	
O=C(NNC(=O)c1ccc[n+]([O-])c1)Nc1cc(F)cc(F)c1	802001408	UXXWBZHCRTWAIP-UHFFFAOYSA-N	308.244	1.065	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1C(=O)NNC(=O)[C@@H]1CCCCO1	295698881	ZXVFOKHHFZWHAJ-NSHDSACASA-N	308.382	1.048	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)[C@@H]1CCCCO1)c1ccc(F)cc1	297244197	OAVQDCYZJWHFNT-FZMZJTMJSA-N	323.368	1.829	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COCc2cccnc2)c(O)c1	805167714	OKECLFSSJRKCAJ-UHFFFAOYSA-N	315.329	1.073	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CSCC(=O)c1ccccc1	299586828	VVCUCHRHGSBSFP-UHFFFAOYSA-N	308.403	1.796	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C[C@@H]2COc3ccccc3O2)n1	294236185	BPEKSEUMCDCWNF-GFCCVEGCSA-N	314.345	1.767	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CCC(C)(F)F)cc1	801109688	YMDFHTFXLNZYTK-UHFFFAOYSA-N	313.304	1.516	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)Nc1ccccc1C)C1CC1	296847578	JSNKZYHSHDFRJG-ZDUSSCGKSA-N	306.366	1.756	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2ccc(O)c(O)c2)CC[C@@H]1C(=O)O	814921023	ROFVDJWVPWOAJW-KCJUWKMLSA-N	306.318	1.704	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)COc1cccc(C)c1	811630211	CNVQNOYVMRBHTN-CYBMUJFWSA-N	303.362	1.535	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)c2ccc3ccccc3n2)n1	814683011	UCAHXURQLMWOPF-UHFFFAOYSA-N	324.344	1.229	50	20	DDGD	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NNC(=O)c1ccnnc1	817694224	VEVNYBLTBRHLTM-YUTCNCBUSA-N	320.393	1.612	50	20	DDGD	
C[C@@H]1C(=NNC(=O)CNC(=O)c2ccco2)CC[C@@H]1CC(=O)O	814826636	DUCVMBXJDNXQRY-VHSXEESVSA-N	321.333	1.002	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)C(=O)Nc1ccc(C#N)cn1	815590099	MBPANJNIYLOCIE-UHFFFAOYSA-N	313.292	1.483	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F	819196362	ANSVRNQSRBTSMU-QLEHZGMVSA-N	307.316	1.904	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@H]2CO[C@H](C)C2)c(F)c1	828440573	ROGGGGYCMCFJAS-PSASIEDQSA-N	311.313	1.416	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2cccc(C(=O)O)c2)n1	820972255	GDEFJQVMPDALKQ-UHFFFAOYSA-N	315.333	1.618	50	20	DDGD	
CC/C(C)=C\C(=O)NNC(=O)c1csc(N2CCOCC2)n1	822206542	MWTOSMYOJIBTKB-NTMALXAHSA-N	324.406	1.097	50	20	DDGD	
Cc1cccc(F)c1CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	826097991	QDDOXPJCSDNNAA-WDEREUQCSA-N	309.341	1.390	50	20	DDGD	
COc1ccccc1CONC(=O)NNC(=O)OC(C)(C)C	495452359	CGIDNRQVCXGUJC-UHFFFAOYSA-N	311.338	1.866	50	20	DDGD	
CCNC(=O)NNC(=O)c1cccc(NC(=O)OC(C)(C)C)n1	497046740	OUKBBULTAVUXCM-UHFFFAOYSA-N	323.353	1.393	50	20	DDGD	
COC(=O)NCCNC(=O)NNc1ccc(OC(F)F)cc1	495980081	PCBBLKBPNANPEC-UHFFFAOYSA-N	318.280	1.270	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)C2CC2)CC1)c1cc(Cl)ccc1O	823974317	JBUXNQUMQYYTRT-UHFFFAOYSA-N	322.748	1.566	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H](C(N)=O)c1ccccc1	491105413	QCQDEFWPJLFCIA-DKGMDFAASA-N	321.336	1.642	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H](NC(C)=O)C(C)(C)C)cc1	822203732	KXKPGPZBURWINH-CQSZACIVSA-N	319.405	1.561	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H]2CCc3cc(F)ccc32)n1	821480731	IHSHNANJQULJLF-LBPRGKRZSA-N	302.309	1.797	50	20	DDGD	
CC(C)N(CCC(=O)NN=c1cc[nH]cc1)C(=O)OC(C)(C)C	495275817	KALOHBRWCSBQGY-UHFFFAOYSA-N	322.409	1.982	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NNC(=O)OC	497242510	BADBGXMYPGDHBU-SECBINFHSA-N	303.359	1.409	50	20	DDGD	
COC[C@@H](Cc1ccccc1)NC(=O)/C(C#N)=C/c1cnn(C)c1	491175609	LRADUDLVCDVZOX-QLGNDSFESA-N	324.384	1.701	50	20	DDGD	
N#CC1=CCN(C(=O)CCSc2ncnc3[nH]cnc23)CC1	821436830	QZRBPDDXWOJHCW-UHFFFAOYSA-N	314.374	1.517	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)C(=O)NNc1ccc(F)cc1F	825198134	ATMNKMIKNJYMIR-UHFFFAOYSA-N	308.288	1.641	50	20	DDGD	
CN1CCC[C@@H](CCNC(=O)/C(C#N)=C\c2cnn(C)c2)C1	491133043	OKXYUYJZSGAPKN-PBTLCFMXSA-N	301.394	1.175	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@H]1CC12CCSCC2	822782287	RMPXENUBAHCHIU-LLVKDONJSA-N	309.391	1.643	50	20	DDGD	
Cn1c(=NNC(=O)CCc2ccncn2)sc2ccccc21	588590138	QZLPEZDTOOSUKF-UHFFFAOYSA-N	313.386	1.595	50	20	DDGD	
CCCNC(=O)NN=C[C@H](CCOC)NC(=O)OC(C)(C)C	495987092	FFMCFRCSSIOXNL-NSHDSACASA-N	316.402	1.611	50	20	DDGD	
CCN(CC(=O)NNC(=O)C(C)C)Cc1cccc(Cl)c1	827415861	OSQYDXUOGQJUSM-UHFFFAOYSA-N	311.813	1.965	50	20	DDGD	
CC(C)O[C@H]1C[C@@H](NCc2ccc(B(O)O)cc2F)C1(C)C	585036802	PRNSOMJWEDJCFC-CABCVRRESA-N	309.190	1.187	50	20	DDGD	
OB(O)[C@H]1CCN(Cc2ccc(OCC(F)(F)F)cc2)C1	585077999	ZUITXAUBUCOWCV-NSHDSACASA-N	303.089	1.676	50	20	DDGD	
CC(C)COC(=O)N1CCC(=NNC(=O)c2cccn2C)CC1	495721630	QYWWWGUBABHMRY-UHFFFAOYSA-N	320.393	1.999	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)NCC(F)(F)F)cc1C	901170885	SLJOLJWJJPTKRX-UHFFFAOYSA-N	317.267	1.977	50	20	DDGD	
C=CCN(Cc1ccc(OC)cc1)[C@H](C)C(=O)NNC(=O)CC	731849386	ZJMSKQVLBLHITR-CYBMUJFWSA-N	319.405	1.629	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)/C=C\c2ccc(O)c(O)c2)o1	588407713	GJPLHXCCOIDWKE-DAXSKMNVSA-N	302.286	1.474	50	20	DDGD	
Cc1cc([C@H](C)NCc2ccc(B(O)O)cc2F)ccc1F	585030967	MXUMHESHUGOICU-NSHDSACASA-N	305.133	1.804	50	20	DDGD	
Cn1c(=NNC(=O)c2cnc(S)[nH]2)sc2ccccc21	588514104	BOUJTLFNNAGQHT-UHFFFAOYSA-N	305.388	1.497	50	20	DDGD	
Cc1nc(SCC(C)C)sc1CC(=O)NN(C)C(N)=O	831519251	LSBFMTJCFPDALS-UHFFFAOYSA-N	316.452	1.784	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(CN(C)C(=O)OC)cc1	494466398	ARYWXNZIZAABSF-UHFFFAOYSA-N	324.337	1.667	50	20	DDGD	
C#CC[C@H](NC(=O)[C@H](Br)C(C)(C)C)C(=O)OC	837945071	IAVUAKAUMGJUCH-IUCAKERBSA-N	304.184	1.477	50	20	DDGD	
CO[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2F)C12CCC2	838769223	SWHZMZQLHRRAAG-QWHCGFSZSA-N	321.352	1.727	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc(C)c(OC)c1C	495406813	FZCPRPIMYQWWRP-UHFFFAOYSA-N	309.322	1.028	50	20	DDGD	
COC[C@H](NCc1ccc(B(O)O)cc1)c1cccc(Cl)c1	585041124	NCYYUNQHWUFZSV-INIZCTEOSA-N	319.597	1.497	50	20	DDGD	
COCCN(C)NC(=O)c1cc(Br)ccc1OC	837624030	QWXQSXUDZWKJLX-UHFFFAOYSA-N	317.183	1.681	50	20	DDGD	
CC(C)Cn1cc(C(=O)NNc2cccc(C(=O)O)c2)cn1	833494335	OGCAZUUVDWIGFU-UHFFFAOYSA-N	302.334	1.994	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2C[C@H]2C(=O)O)c1C	738736498	NYXVMCGDJUQONJ-NXEZZACHSA-N	307.375	1.342	50	20	DDGD	
C[C@]1(c2cccs2)C[C@@H]1CNCc1ccc(B(O)O)cc1	585024426	XNNBETRNSTZLFQ-CJNGLKHVSA-N	301.220	1.495	50	20	DDGD	
Cc1ccc(Oc2ccc(NC(=O)NNC(=O)O)cc2)nn1	832953242	DNTXTIJFUIAJML-UHFFFAOYSA-N	303.278	1.881	50	20	DDGD	
O=C(NNc1cnccn1)[C@H]1CC(=O)N(C2CCCCC2)C1	734244094	NZJWJFDETSHNHW-NSHDSACASA-N	303.366	1.101	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2CC1	830856737	YTWQGWNNMSCFAW-QXKUPLGCSA-N	319.449	1.712	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc2c(C)cccc2o1	909552424	BXPAVLHAKYCYBB-JTQLQIEISA-N	318.329	1.844	50	20	DDGD	
CC(=NNC(=O)c1c[nH]nc1C)c1ccnn1CC1CCC1	901196523	PUOAQCPOKHYUMO-UHFFFAOYSA-N	300.366	1.869	50	20	DDGD	
COC[C@]1(CO)CCN(C(=O)[C@]2(C)C[C@@H]2Br)C1	909367849	INXDDPXZAGIVBH-MVWJERBFSA-N	306.200	1.017	50	20	DDGD	
C=CC[C@H](C)NC(=O)NNC(=O)c1ccc(OC)c(OC)c1	735089755	CHYRQPUSRPLERF-JTQLQIEISA-N	307.350	1.612	50	20	DDGD	
COC(=O)N1CCC(C(=O)NNc2ccc(OC)cn2)CC1	832646089	MYYPDDMVXUDYCB-UHFFFAOYSA-N	308.338	1.012	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)c1	837525318	TWDDKOCGUVJOLX-BIMULSAOSA-N	302.330	1.532	50	20	DDGD	
Cc1[nH]c(C(=O)O)c(C)c1C(=O)NNC(=O)c1ccccc1	832845611	IZNYYGZKJHCYSY-UHFFFAOYSA-N	301.302	1.405	50	20	DDGD	
CC(C)(C)N1CC[C@@H](NC(=O)[C@@]2(C)C[C@H]2Br)C1=O	911490743	HGZNVFDPZXKAOW-KKFJDGPESA-N	317.227	1.676	50	20	DDGD	
COCCCNC(=O)NN=C1CCC(O)(C(F)(F)F)CC1	734748815	WOZVOLZOFTZUBV-UHFFFAOYSA-N	311.304	1.546	50	20	DDGD	
COCCC1(C(=O)NNc2ccc(C(=O)OC)c(F)c2)CC1	837050816	UOEHPCBBNSTPHG-UHFFFAOYSA-N	310.325	1.872	50	20	DDGD	
O=C(C[C@@H]1OCCc2ccccc21)NNC(=O)c1ccccn1	734417559	HVGJYJOHOLWZGS-HNNXBMFYSA-N	311.341	1.547	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCOCC2)s1)[C@H]1CCCCO1	834988943	BLIVBDBGGHBXMA-CYBMUJFWSA-N	323.418	1.604	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@H]1CCOC2(CCC2)C1)C1CC1	912159313	FYMOULGKYWBYCC-PWSUYJOCSA-N	311.451	1.630	50	20	DDGD	
COc1cccc(NCC(=O)NN=Cc2c(C)noc2C)c1	916359486	DPYTUMDXZQEPRX-UHFFFAOYSA-N	302.334	1.862	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)C1CCCC1	914844238	QRLYGDBTHFVSSR-ZDUSSCGKSA-N	321.421	1.505	50	20	DDGD	
Cc1ccn2c(=O)c(C(=O)NNc3cccc(C#N)c3)cnc2c1	748049872	KMAQTAVBTUABPU-UHFFFAOYSA-N	319.324	1.632	50	20	DDGD	
O=C(NNC(=S)NCC1CC1)Nc1cc(F)cc(F)c1	849256159	RIFMYRNVPHWJQI-UHFFFAOYSA-N	300.334	1.875	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCOc2ccccc21	843651932	PYCLRXRIELFAIR-LOWVWBTDSA-N	304.346	1.125	50	20	DDGD	
Cc1c(C(=O)NN(C)C[C@@H](C)O)cnn1-c1ccc(Cl)cc1	910174657	HFSVAAKCXKBNIQ-SNVBAGLBSA-N	322.796	1.792	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)[C@@H]1CCO[C@H]1C)O[C@@H](C)C2	842552575	BCYBMWUHYUNRBH-COPLHBTASA-N	318.373	1.894	50	20	DDGD	
C[C@@](CNC(=O)NNC(=O)C1CCC1)(C(=O)O)c1ccccc1	846128697	KHDUOMGLFBHANP-INIZCTEOSA-N	319.361	1.159	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc(N(C)C)nc2)n1	748339170	PSXKTCUVJZYJNV-UHFFFAOYSA-N	306.757	1.656	50	20	DDGD	
CCOCC(=O)NN=Cc1cn(-c2ccc(C)cc2)nc1C	848405565	PNLTZHWBOSPBGD-UHFFFAOYSA-N	300.362	1.976	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)c1ccc(C#N)cc1)CC(C)C	841582917	QQEYRODRNJACDB-CQSZACIVSA-N	318.377	1.563	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@H](C)NC(=O)NNC(=O)c1ccccc1	840416853	NUSPIYBPKYTITO-MEDUHNTESA-N	305.378	1.834	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCc1ccc2[nH]ccc2c1	843662682	SDIPXKHUOAFRGL-SMDDNHRTSA-N	315.373	1.673	50	20	DDGD	
C[C@H]1CN(C[C@@H](C)C(=O)NN=Cc2cccc(O)c2)C[C@@H](C)O1	916372253	PMENMZJGANBNJF-MCIONIFRSA-N	319.405	1.588	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NC[C@@H](OC)C2CC2)cc1	845221311	UBHMUOXLLJURPC-CQSZACIVSA-N	321.377	1.453	50	20	DDGD	
C[S@@](=O)CCNC(=O)NNC(=O)c1cccc2ccccc12	743617588	SDMAGKRWOADVRW-JOCHJYFZSA-N	319.386	1.162	50	20	DDGD	
CO[C@H]1c2ccccc2C[C@H]1NC(=O)NNc1ccc(C)nn1	840407884	OCRXXYHDWBVFAD-HIFRSBDPSA-N	313.361	1.724	50	20	DDGD	
CCOC(=O)[C@H](Cc1ccccc1)NNC(=O)[C@@H]1CCO[C@@H]1C	843289493	SAYCULDBSFTPAB-YUELXQCFSA-N	320.389	1.207	50	20	DDGD	
CC(CCc1ccc(F)cc1)=NNC(=O)CN1CCCC1=O	917540063	WFMQAWMOSBXIJU-UHFFFAOYSA-N	305.353	1.873	50	20	DDGD	
CC(C)CO[C@@H](C)C(=O)NNc1ncc(Br)cn1	848320715	ULUZTDMPXDJZKH-QMMMGPOBSA-N	317.187	1.743	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C[C@H](OC)[C@@H]2CCOC2)c1	841611278	ZQLQCYUEBALODZ-ABAIWWIYSA-N	322.361	1.471	50	20	DDGD	
CC1=C(C)C[C@@H](C(=O)NNc2ccccc2S(N)(=O)=O)CC1	844136310	FDIKCGDJSCXJTD-LBPRGKRZSA-N	323.418	1.914	50	20	DDGD	
O=C(NC[C@@H]1COCCO1)NNc1cc(F)c(F)c(F)c1	746756833	LERCAGZDVDJNBY-MRVPVSSYSA-N	305.256	1.145	50	20	DDGD	
O=C(Cc1csc(-c2nc[nH]n2)n1)NNc1cccc(F)c1	748090462	VXHRYIHXCCHGNJ-UHFFFAOYSA-N	318.337	1.753	50	20	DDGD	
CCc1n[nH]cc1C(=O)NNC(=O)CSc1ccc(C)cc1	917923454	VPFILRWJXQFENM-UHFFFAOYSA-N	318.402	1.834	50	20	DDGD	
C[C@@H](Cc1ccc(F)cc1)C(=O)NNc1nccn(C)c1=O	747937696	KSOSRRHCLPIISQ-JTQLQIEISA-N	304.325	1.241	50	20	DDGD	
COc1ccc2c(c1)OCC[C@@H]2NC(=O)NNC(=O)C(C)C	743650852	XQUCMUNYVIHLDA-LBPRGKRZSA-N	307.350	1.505	50	20	DDGD	
COC(=O)[C@H](CNS(=O)(=O)CCCCCl)CC1CC1	845990904	CUOBNUYSDIYGDD-NSHDSACASA-N	311.831	1.514	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1	746886332	JGJUBGZXRQRCGE-LLVKDONJSA-N	305.378	1.785	50	20	DDGD	
Cn1ccnc1[C@@H](CC(=O)NNC(=O)C(C)(C)C)C(F)(F)F	847345549	JYFOFUZXHXUCBE-MRVPVSSYSA-N	320.315	1.650	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1ccc2ncccc2c1	741647668	DSRYHIWGKPFQQH-UHFFFAOYSA-N	307.375	1.590	50	20	DDGD	
CC(C)(C)c1cccc(C(=O)NNC(=O)C(=O)NC2CC2)c1	847298981	UYQGFNGWFVLMOD-UHFFFAOYSA-N	303.362	1.024	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NNC(=O)c1ncccn1	841350319	JNJGJLUUXZFGDA-VXGBXAGGSA-N	306.366	1.223	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1ccc2c(c1)OCO2	843660115	KPSXQKMBWZHCST-NHCYSSNCSA-N	320.345	1.091	50	20	DDGD	
Cc1noc(C(F)F)c1C(=O)NNC(=O)Cc1cccnc1	746218325	GLHSBZOCXBQVET-UHFFFAOYSA-N	310.260	1.319	50	20	DDGD	
COc1cc(OC)c(C=NNC(=O)Cc2cc(C)[nH]n2)cc1F	844572175	CITYTIOPDLZRCY-UHFFFAOYSA-N	320.324	1.567	50	20	DDGD	
CCN1CCC[C@H](NC(=O)[C@H](Br)C(C)(C)C)C1=O	928870478	SBCLRCZCJBZRPH-UWVGGRQHSA-N	319.243	1.923	50	20	DDGD	
C#CCCCC(=O)NNC(=S)NCc1ccc(OC)cc1	757798952	FEFGLWQAORFISE-UHFFFAOYSA-N	305.403	1.494	50	20	DDGD	
Cc1cc(O)c(C=NNC(=O)C(=O)N2CCCC2)cc1Cl	853298280	QHGLMKYZQOPSFL-UHFFFAOYSA-N	309.753	1.427	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCOCC(F)(F)F)nc1	759721445	LEQCRNUBINBHDE-UHFFFAOYSA-N	321.255	1.280	50	20	DDGD	
CNC(=O)CCCCC(=O)NC[C@@]1(C)C[C@H]1Br	857390945	JESCILKSPSDGSR-BXKDBHETSA-N	305.216	1.583	50	20	DDGD	
C[C@H]1CC[C@H](CNC(=O)NNc2ccc([N+](=O)[O-])cc2F)O1	854127279	SUNRCIMCICRPDR-WCBMZHEXSA-N	312.301	1.928	50	20	DDGD	
C=CCCOCC(=O)NNC(=O)c1cc(OC)cc(OC)c1	920428661	UOUIRMQADIFYOO-UHFFFAOYSA-N	308.334	1.058	50	20	DDGD	
C[C@]1(CNc2cc(-n3cccn3)nc(N)n2)C[C@H]1Br	856787897	SESOGVKHABCXSC-PRHODGIISA-N	323.198	1.830	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)CC2CC2)n2c1CCCC2	857210213	MNVHPJMRWXGDAB-UHFFFAOYSA-N	303.362	1.861	50	20	DDGD	
C[C@@H](NC(=O)C1CCCC1)C(=O)NNc1ccnc(Cl)c1	855469098	STRASEALWBPOPP-SECBINFHSA-N	310.785	1.873	50	20	DDGD	
C=C[C@@](C)(O)C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	854239457	AHZMGIHNGRKBAF-BJOHPYRUSA-N	308.403	1.571	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc(-c2csnn2)cc1	858781791	LGMZXXDRQJNQAP-UHFFFAOYSA-N	317.374	1.559	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1cccc(OC2CC2)c1F	853278313	BKBAWVSEKQUHIO-UHFFFAOYSA-N	319.336	1.439	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1	920288315	RHMFGGZEULXOMY-AWEZNQCLSA-N	317.389	1.024	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1cc(C(F)(F)F)nn1C	853008692	WXEIQXNKAYQQIW-YWEYNIOJSA-N	308.285	1.195	50	20	DDGD	
CCOC1CCC(=NNC(=O)CNC(=O)OC(C)(C)C)CC1	853328984	SWUHJHSBKJJXQK-UHFFFAOYSA-N	313.398	1.962	50	20	DDGD	
Cc1cc(NNC(=O)C(C)(C)NS(C)(=O)=O)ccc1Cl	928341379	YVCURKQLYIERGW-UHFFFAOYSA-N	319.814	1.419	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1nccn1C	755484929	VISYHQRKEZJBAE-ZDUSSCGKSA-N	300.318	1.100	50	20	DDGD	
COc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	855006476	OOMQEHZLEAUDAX-FBUXBERBSA-N	318.373	1.371	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(Cl)cn1)n1nnnc1C(C)(C)C	856093035	OWONFBNCKNUZDT-QMMMGPOBSA-N	323.788	1.723	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1sccc1Cl	854285790	PLLXGDDNHJLMLE-UHFFFAOYSA-N	321.855	1.889	50	20	DDGD	
CC(C)C(=O)Nc1cccc(NC(=O)NNC(=O)C2CC2)c1	753947090	WIAOCBDIXKHOEJ-UHFFFAOYSA-N	304.350	1.844	50	20	DDGD	
CC(=O)N/C(=C/c1cccs1)C(=O)NCCCSC#N	854366773	GHBADHAIRWEFCC-XYOKQWHBSA-N	309.416	1.946	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2cccc(F)n2)C[C@@H](C2CC2)O1	852709847	GAKGKTZYZOJOSM-SKDRFNHKSA-N	322.340	1.074	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1nn(C)c2ccccc12	759362375	YPCXGXKSOSIDSA-UHFFFAOYSA-N	303.366	1.450	50	20	DDGD	
CCOCCn1cc(C(=O)NNc2cccc(OC)n2)cn1	857175663	ZXDZAKJDIUIKND-UHFFFAOYSA-N	305.338	1.080	50	20	DDGD	
C[C@]1(CNC(=O)c2ccc(C(N)=O)s2)C[C@@H]1Br	857400939	JTWYKWFMSOPZPY-GZMMTYOYSA-N	317.208	1.750	50	20	DDGD	
O=C(NNC(=O)C1CC(O)(c2cccc(Cl)c2)C1)C1CCC1	859328890	VTWUNQSPNZMUBX-UHFFFAOYSA-N	322.792	1.885	50	20	DDGD	
CCN(CC)[C@H](C(=O)NNC(=O)c1cn[nH]c1)c1ccccc1	862472317	XJTMHMMPRGNUDU-AWEZNQCLSA-N	315.377	1.254	50	20	DDGD	
Cc1cccc(CCC(=O)NNC(=O)Cc2cc(C)[nH]n2)c1	869013040	JLZVCMGENOQNGK-UHFFFAOYSA-N	300.362	1.349	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccccn2)cc1N1CCOCC1	867240347	BZRNACOPSZVOHS-UHFFFAOYSA-N	312.373	1.984	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NNC(=O)N1CCOCC1	767921419	XEQBOLXAABVYBP-CHWSQXEVSA-N	313.398	1.045	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C[C@H](C)Cc1cccc(OC)c1	935291616	WDFPTEWWQMZMRS-GFCCVEGCSA-N	307.394	1.956	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1sccc1O	769794333	UOMGCUXMMCKXST-UHFFFAOYSA-N	304.331	1.328	50	20	DDGD	
COCCOCc1ccc(C=NNC(=O)c2cn[nH]c2)cc1	863153826	FFVPNKTWRDRESQ-UHFFFAOYSA-N	302.334	1.337	50	20	DDGD	
O=C(CCC(=O)c1ccc(Cl)cn1)NNC(=O)c1ccc[nH]1	768967519	PERQNWSLHXUIJR-UHFFFAOYSA-N	320.736	1.487	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cc(O)cc([N+](=O)[O-])c1	769470902	SPPQFTZMPHIMCU-UHFFFAOYSA-N	315.285	1.684	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)Cc2ccc(C)c(C)c2)n[nH]1	869013390	YPVBUVZDTHFKDI-UHFFFAOYSA-N	300.362	1.268	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ncc3n2CCCC3)cc1	864490283	CGQIBJFOKIPWON-UHFFFAOYSA-N	312.373	1.857	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)OC[C@@H]2COC(=O)O2)cc1	763872914	UYQVUZGFOFUFFD-TUOYRWMMSA-N	303.270	1.681	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC[C@H](N2CCCC2)C1	866716470	OTGJMSCTVDITPZ-LBPRGKRZSA-N	308.875	1.751	50	20	DDGD	
COc1cccc(C(C)(C)C(=O)NNC(=O)Cc2cc[nH]n2)c1	865197375	BZZLYTRGWVVHRZ-UHFFFAOYSA-N	316.361	1.086	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)N[C@@H]1CCC[C@@H]1c1ccccc1	868802378	YUIBVIUXSVMPNJ-ZIAGYGMSSA-N	313.361	1.690	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(C)(C)C)cc1N1CCOCC1	864888712	FIAJDBZENVTPBN-UHFFFAOYSA-N	319.405	1.639	50	20	DDGD	
C[C@H](NNC(=O)c1ccc2c(c1)nc(O)n2C)C(F)(F)F	862309691	SZUGERGMDWMRLY-LURJTMIESA-N	302.256	1.464	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccccc1Cn1cccn1	762090038	DDWPNKQGUVITCN-UHFFFAOYSA-N	312.308	1.617	50	20	DDGD	
C=C(C)CN1CCC(NC(=O)NN=c2cc[nH]c(C)c2)CC1	875245885	GJKJEQLWYYGBJK-UHFFFAOYSA-N	303.410	1.479	50	20	DDGD	
CCc1ccc(C(=O)NNc2nccn(C)c2=O)cc1CC	1116471777	FPRFAKSIFKUYKH-UHFFFAOYSA-N	300.362	1.662	50	20	DDGD	
Cc1occc1C(=O)NCC(=O)OC[C@@H](C)CBr	770353515	UCESMJNREDZREG-QMMMGPOBSA-N	318.167	1.892	50	20	DDGD	
Cc1cc(C(=O)NNc2nc(O)c3cnn(C)c3n2)c(C)s1	770974007	QZMGKXHKTCAQKF-UHFFFAOYSA-N	318.362	1.504	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)Cc1cn2ccccc2n1	777828797	QSVSVQVWBOMJJE-UHFFFAOYSA-N	324.340	1.807	50	20	DDGD	
Cn1nc(NC(=O)NC[C@]2(C)C[C@H]2Br)ccc1=O	879905715	QIGKRVRAANLCJR-HQJQHLMTSA-N	315.171	1.075	50	20	DDGD	
C=CCCOCC(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874951995	WLHQJFWEYUQRBA-UHFFFAOYSA-N	322.434	1.663	50	20	DDGD	
O=C(NNC(=O)c1csc(Br)n1)NC1CC1	874193612	DAPXKSUNYBQZII-UHFFFAOYSA-N	305.157	1.012	50	20	DDGD	
C[C@@H](C1CC1)n1cc(NC(=O)NNC(=O)c2ccccn2)cn1	779507899	SQTNGYPBUJAXSN-JTQLQIEISA-N	314.349	1.716	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)c1	873777393	OPDBFXIDWRASKU-CYZMBNFOSA-N	317.414	1.928	50	20	DDGD	
Cc1ccccc1CC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	771901435	AJYIEQIGPYXNPD-CYBMUJFWSA-N	320.389	1.663	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(OC)c(Cl)cc1OC	878005683	TWJFXNDMABYZES-UHFFFAOYSA-N	317.773	1.972	50	20	DDGD	
O=C(NN=Cc1cccc2nccn12)C1=S=C2CCCC2=C1	771089248	QLNDPXOFUAIPCL-UHFFFAOYSA-N	310.382	1.986	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@@H](C)c1cccc(NC(C)=O)c1	774863807	NNUNVLDEUBZUIN-WDEREUQCSA-N	320.393	1.242	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2nocc2C)c(C)c1	878039417	SHBFHLIHEODNJW-UHFFFAOYSA-N	302.334	1.473	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CCSc1ccc(F)cc1)N(C)C	873805174	WQJPVYULSDFCAF-SNVBAGLBSA-N	313.398	1.405	50	20	DDGD	
Cc1cc(C(=O)NNc2nc(O)c3ccccc3n2)ns1	770047500	WBDYWBVEOBTYTL-UHFFFAOYSA-N	301.331	1.857	50	20	DDGD	
Cc1c(CC(=O)NNc2ccccn2)nnn1-c1ccccc1	777473574	ORGCHGJDCQUHOP-UHFFFAOYSA-N	308.345	1.657	50	20	DDGD	
CC(=NNC(=O)c1ccccn1)c1cc(C(=O)O)c(C)nc1C	776720981	BFPMTQDVHVUAGG-UHFFFAOYSA-N	312.329	1.946	50	20	DDGD	
Cn1nnc2c1C[C@H](C(=O)NNc1ccc(Cl)cc1F)CC2	885107231	WQEDNLOXRGNGAJ-MRVPVSSYSA-N	323.759	1.856	50	20	DDGD	
O=C1[C@H](NS(=O)(=O)CCCCl)CCN1c1ccccc1	881875241	LXTDZDULSKIKRF-GFCCVEGCSA-N	316.810	1.340	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CNC(=O)CCC(C)C	777772783	MLNKBGKEIZKDBZ-UHFFFAOYSA-N	321.377	1.469	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@]12CCCc1ccccc12)c1cccnn1	882057691	GRXNVZQJWNMCHC-RDTXWAMCSA-N	322.368	1.532	50	20	DDGD	
O=C(CO)NN=Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1	783858617	BWJJIBMNXVVNJS-UHFFFAOYSA-N	314.132	1.017	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC(C(N)=O)CC1	781066893	RIGXNOYNLPIZEZ-SECBINFHSA-N	305.216	1.520	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2c(C)coc2C)cc1	785708189	GJGQKQDXIVUAQI-UHFFFAOYSA-N	315.329	1.605	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ccccn2)c(Cl)n1	784801444	PEMDCHQKZJHEFS-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc2c(c1)C(=O)N(C)CC2	782589581	QKFHAXQGZQNILE-UHFFFAOYSA-N	304.350	1.123	50	20	DDGD	
Cc1cccnc1C=NNC(=O)c1ccc(-n2cnnn2)cc1	781589048	ZXXJFODSVJMMLZ-UHFFFAOYSA-N	307.317	1.130	50	20	DDGD	
Cn1cc(C(=O)NNc2ncncc2Cl)c(C(F)F)n1	781830131	QGENYJMHDFVVMS-UHFFFAOYSA-N	302.672	1.558	50	20	DDGD	
COCC(=NNC(=O)c1cccc(N(C)C)c1)C1CCOCC1	780197916	RUVXMNRGHCFABQ-UHFFFAOYSA-N	319.405	1.911	50	20	DDGD	
COC1CCC(=NNC(=O)[C@@H]2COc3ccccc3O2)CC1	783787741	DESSPWWIMKQSBT-CVRLYYSRSA-N	304.346	1.888	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@@H]2CO[C@H](C)C2)cc1	784144861	KXUNYNYQZDBPIP-NEPJUHHUSA-N	308.403	1.660	50	20	DDGD	
O=C(NC[C@@H]1CCC=CO1)NNC(=O)c1cccc([N+](=O)[O-])c1	780735312	MHZDMXCRLRYDNI-LBPRGKRZSA-N	320.305	1.232	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@]2(OC)CCSC2)cc1	898273254	UXWRXCXLBRZTNN-HNNXBMFYSA-N	324.402	1.367	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1ccc(O)cc1O	780982136	DKDFRYXMSDGUQC-UHFFFAOYSA-N	322.342	1.258	50	20	DDGD	
O=C(CC1OCCO1)NNc1ccc(OC(F)(F)F)cc1	793712478	VBBXCRPCSDRVEZ-UHFFFAOYSA-N	306.240	1.791	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1ccnn1CC1CC1	793075828	CTLUKUXWISBVLS-UHFFFAOYSA-N	314.436	1.359	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cnc(C2CC2)nc1	793075800	CPUPZBFVCHURJD-UHFFFAOYSA-N	312.420	1.420	50	20	DDGD	
C=CCN(CCC#N)CC(=O)NNC(=O)c1cccc(Cl)c1	794744478	JKENTNVJPILXRD-UHFFFAOYSA-N	320.780	1.503	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc(C)c([N+](=O)[O-])c2)n1	794089464	GFSPHODXZFVZOS-UHFFFAOYSA-N	314.301	1.681	50	20	DDGD	
Cc1ccc2c(c1)CC[C@@H](C(=O)NNC(=O)c1c[nH]nc1C)O2	793456629	YOCYALUOZDFANY-AWEZNQCLSA-N	314.345	1.181	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C1CCC(C(F)F)CC1	799478664	BCIZKGXQVLUBMX-UHFFFAOYSA-N	313.304	1.937	50	20	DDGD	
O=C(NCCC1(O)CCC1)NNC(=O)c1cc2c(s1)CCC2	790984841	CRGKPPWUMFZGBR-UHFFFAOYSA-N	323.418	1.486	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CCOC[C@H]1CCCO1	798311045	CHRPLJOVYBBCMS-CYBMUJFWSA-N	321.377	1.733	50	20	DDGD	
CCN(CC)c1ncc(C=NNC(=O)N2CCN(C)CC2)s1	790174145	PBEZDICPGWTIJG-UHFFFAOYSA-N	324.454	1.280	50	20	DDGD	
Cn1c(C=NNC(=O)CCO)nc2cc(C(F)(F)F)ccc21	1319640419	JTHVRVOAVLYHKY-UHFFFAOYSA-N	314.267	1.425	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCCOCC2CC2)cc1	1319024983	OQFIWTZCQNLXLN-UHFFFAOYSA-N	321.377	1.456	50	20	DDGD	
COC(=O)C(=O)NNC(=O)NC[C@@H]1C[C@H](C)CC[C@H]1C(C)C	1318883484	ZACSPYIMVYZNSY-WOPDTQHZSA-N	313.398	1.198	50	20	DDGD	
Cc1ccc(C(=O)NCC(=O)NNc2ncccc2F)s1	1325127363	UGIMAPNOWXUPBT-UHFFFAOYSA-N	308.338	1.464	50	20	DDGD	
Cc1coc(C(=O)NNc2nc3ccccc3c(=O)n2C)c1C	1326741889	MUJGZFUFQMPKAK-UHFFFAOYSA-N	312.329	1.900	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1c(C)ccnc1O	1321625392	QNLVGXDUZCFLOE-UHFFFAOYSA-N	300.318	1.871	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)c1ccccc1Cl)[C@H]1CCCO1	1321433808	NGIFAMZCYNDYNS-QWHCGFSZSA-N	321.764	1.465	50	20	DDGD	
CN(C)CC1(C(=O)NNc2cncc(Br)c2)CC1	1329849198	YDBLTQDGFOZQNU-UHFFFAOYSA-N	313.199	1.629	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1329174003	QYQSXBBGVOCLRF-LBPRGKRZSA-N	308.382	1.255	50	20	DDGD	
Cc1nc(N)sc1C(=O)NC[C@]1(C)C[C@@H]1Br	1334668101	HGLMYBBWODEDOY-WKEGUHRASA-N	304.213	1.937	50	20	DDGD	
COCCn1nnnc1N(C)CCO[Si](C)(C)C(C)(C)C	1335341127	OGRGMVPJRGQLHO-UHFFFAOYSA-N	315.494	1.778	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NNC(=S)NCC1CCC1	1338378512	OCSMQCUNIOIBKE-LBPRGKRZSA-N	312.483	1.404	50	20	DDGD	
C[C@H]1C[C@H](c2cccnc2)N(C(=O)NNC(=O)c2cn[nH]c2)C1	1348123226	TXBDDQUSPJUXKP-GXFFZTMASA-N	314.349	1.242	50	20	DDGD	
Cc1n[nH]c(C)c1C[C@H](C)C(=O)NNC(=O)OCC(F)(F)F	1261754499	AZEISKJKNIMIFX-LURJTMIESA-N	322.287	1.525	50	20	DDGD	
Cn1cnnc1COCC(=O)OC[C@]1(C)C[C@H]1Br	1263536807	FOFTVBWXPLUUAN-KCJUWKMLSA-N	318.171	1.048	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)[C@@H]3C[C@H]3F)n[nH]2)cc1C	1519840350	FABRNYJTQJWYGW-VXGBXAGGSA-N	316.336	1.813	50	20	DDGD	
Cc1cc(C=NNC(=O)NCC(=O)O)c(C)n1C[C@@H]1CCCO1	1600185609	SIUFQOMRORHIJD-ZDUSSCGKSA-N	322.365	1.002	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)c1cc2c(nc1O)CCC2	1602472383	DBZRFBYPGVYHCE-UHFFFAOYSA-N	313.313	1.731	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cccn3nccc23)cc1F	1608905090	YOJWHIGDVOIZCE-UHFFFAOYSA-N	314.276	1.929	50	20	DDGD	
CC[C@@H](C)CC[C@H](O)CC(=O)NNc1ccc(C(=O)O)cn1	1609906221	DABGXAROTOAGJH-PWSUYJOCSA-N	309.366	1.800	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2COc3ccccc3O2)nc1	1602384241	DMPXDDAWYBPTLN-GFCCVEGCSA-N	315.285	1.063	50	20	DDGD	
C[C@@H](CC(=O)O)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	1604095360	SRYRIHGVWWRYOT-LURJTMIESA-N	301.249	1.228	50	20	DDGD	
O=C(/C=C\c1cc(C(=O)O)co1)NNc1ncc(Cl)cn1	1601235000	ILDQVAVGMOFCJU-UPHRSURJSA-N	308.681	1.578	50	20	DDGD	
O=C(CSc1nncs1)NNc1cccc(C(=O)O)c1	1601351240	KTOBJISILWEVQF-UHFFFAOYSA-N	310.360	1.472	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@H]2CCC[C@@]2(CN)C1	1549131519	CGRMCKNHSNASDK-CZUORRHYSA-N	324.856	1.940	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1cc(O)cc(F)c1	1550697607	UWDZZHGUCZCOTE-DZGCQCFKSA-N	321.352	1.235	50	20	DDGD	
CCCC[C@@H](N)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	1577410585	PPPOARULYCUVFG-CQSZACIVSA-N	315.377	1.151	50	20	DDGD	
NC[C@H]1OCC[C@H]1C(=O)NNc1cc(Cl)nc2ncccc12	1580278066	CIIVKPLNHSFUTM-MWLCHTKSSA-N	321.768	1.090	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cccnc2)C1	1842393461	FKXSCLPINOKMNY-CYBMUJFWSA-N	321.808	1.916	50	20	DDGD	
C=C(CCC(=O)O)C(=O)NNc1ccnc(C(F)(F)F)c1	1588630704	YDRUEZQNBWJLQA-UHFFFAOYSA-N	303.240	1.965	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)C23CC(C2)C3)C1	1846735523	YCNGUJQQUXOBBE-RUETXSTFSA-N	300.761	1.524	50	20	DDGD	
C#CCN(C)CCCNC(=O)NNc1ccc(F)c(C(=O)O)c1	1588461617	VKCSWOSOIYGXFA-UHFFFAOYSA-N	322.340	1.105	50	20	DDGD	
COc1cccc([C@@H](NNC(=O)[C@@H]2CCCCO2)C(=O)O)c1	1599661224	ZVICBZUAQHGFQM-QWHCGFSZSA-N	308.334	1.011	50	20	DDGD	
COc1ccc(NNC(=O)C23CCC(C(=O)O)(CC2)C3)nc1	1599597504	WDGWBRJAEFYSCB-UHFFFAOYSA-N	305.334	1.568	50	20	DDGD	
O=C(O)[C@@H](C(=O)NNc1ccnc(C(F)(F)F)c1)C1CC1	1594835094	COFONVMHAAGNDC-SECBINFHSA-N	303.240	1.654	50	20	DDGD	
Cc1cccc(CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)n1	1592230841	PEQZSFNUEIOAAR-UHFFFAOYSA-N	324.348	1.396	50	20	DDGD	
CC(C)c1noc(CCC(=O)NNc2cccc(C(=O)O)c2)n1	1592093821	UGXYTGBNHJNOEG-UHFFFAOYSA-N	318.333	1.967	50	20	DDGD	
O=C(NNC(=O)[C@H](C(=O)O)C1CCCC1)c1ccc(Cl)cc1	1594779441	RESPMMMMDJIBNW-GFCCVEGCSA-N	324.764	1.992	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1cc(F)ccc1O	1599375943	GFGUGSKHKUDNRM-UHFFFAOYSA-N	320.276	1.995	50	20	DDGD	
CC1(C(=O)NNc2ccc(CC(=O)O)cc2)CCC(=O)CC1	1593755244	PIZCDWNRZWOXDN-UHFFFAOYSA-N	304.346	1.906	50	20	DDGD	
N#C/C(=C\c1cnc2ccc(C(=O)O)cn12)C(=O)N1CCCC1	1776122865	OQMFCXMSUNRZJY-KPKJPENVSA-N	310.313	1.562	50	20	DDGD	
COCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(Cl)Cl)C2	1795780838	SHNOOVUGVPNALW-ILWJIGKKSA-N	323.220	1.465	50	20	DDGD	
O=C(NN[C@@H]1CCS(=O)(=O)C1)Nc1cccc2ccccc12	11006514	DVZQDKRVVFKYCY-GFCCVEGCSA-N	319.386	1.653	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccccn2)c1OC	17328929	MSZDUCSHNUQZBP-UHFFFAOYSA-N	301.302	1.174	50	20	DDGD	
O=C(Cc1cccc(F)c1)NNC(=S)Nc1ccccn1	161804725	CCXVTMTXMSSVFU-UHFFFAOYSA-N	304.350	1.781	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc(F)cc2C#N)n1	161836259	LWRKSRHOGNJZQW-UHFFFAOYSA-N	302.269	1.645	50	20	DDGD	
CCCc1nnc(S)n1CC(=O)NNc1ccccc1F	153291962	JUGKLXBFJWSLMQ-UHFFFAOYSA-N	309.370	1.802	50	20	DDGD	
Cc1cc(NNC(=O)CCCc2nc(C3CC3)no2)nc(C)n1	155270569	VMUYRHJDQHMHHD-UHFFFAOYSA-N	316.365	1.820	50	20	DDGD	
C[C@@H]1ON=C(C(=O)NCCSSCCC(=O)O)[C@H]1C	2088603786	JBLNJHLTTKNFBG-YUMQZZPRSA-N	306.409	1.370	50	20	DDGD	
O=C(Cn1c(=O)oc2ccccc21)NNC(=O)c1ccccc1	8516248	WHIBCTDZTRVQAA-UHFFFAOYSA-N	311.297	1.056	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C(=O)NC(C)C)oc2ccccc12	52554019	GLWKHDOGYOSCGR-UHFFFAOYSA-N	303.318	1.027	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cc(Cl)c[nH]2)c1O	53640066	FTYPVLVINKMJJO-UHFFFAOYSA-N	309.709	1.457	50	20	DDGD	
CCc1ccc(O)c(C(=O)NNC(=O)c2cccc(C#N)c2)c1	103525057	OJCARGKVNQWOQB-UHFFFAOYSA-N	309.325	1.901	50	20	DDGD	
O=C(Cc1coc(-c2cccs2)n1)NNC(=O)c1ccc[nH]1	106010742	GYXXTAGRRGDLHM-UHFFFAOYSA-N	316.342	1.735	50	20	DDGD	
CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)NNc1ncccn1	118588792	HEUOHAKMQKPHBU-VXGBXAGGSA-N	307.398	1.944	50	20	DDGD	
C[C@H](CNC(=O)NNc1cccc([N+](=O)[O-])c1)Cn1cccn1	54574574	VZRQPPSNHGTKAH-LLVKDONJSA-N	318.337	1.754	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)CNc2ccccc2)cn1	104830872	BYMBEHUVQWAFOP-UHFFFAOYSA-N	314.345	1.353	50	20	DDGD	
O=C(COC[C@H]1CCCO1)NNc1ccc(F)c(F)c1F	103275125	KBMXYKZYBSSOGB-MRVPVSSYSA-N	304.268	1.743	50	20	DDGD	
Cc1[nH]c(-c2ccccn2)n/c(=N\NC(=O)[C@H]2CCCO2)c1C	114891205	MEYHSEIATHJDIT-CYBMUJFWSA-N	313.361	1.199	50	20	DDGD	
CCN(CC)CCNC(=O)NNC(=O)CCOc1ccccc1	61793995	FTBZHTZRGIEEGL-UHFFFAOYSA-N	322.409	1.128	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCC1CCOCC1)c1ccccc1	171905630	UDGJRWRGUHTFKJ-OAHLLOKOSA-N	319.405	1.937	50	20	DDGD	
CC(=O)N1CCc2cc(C(=O)NNc3cc(C)ncn3)ccc21	172279717	QDNBUELOLVBQDX-UHFFFAOYSA-N	311.345	1.451	50	20	DDGD	
CCOC(=O)CC(=O)NNc1ccc([N+](=O)[O-])cc1Cl	178472581	MEIDZGUYIMCKMF-UHFFFAOYSA-N	301.686	1.645	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCc1cc(C)no1	64230114	WUHRCEDYKCXEPA-UHFFFAOYSA-N	318.333	1.065	50	20	DDGD	
C=CCc1cc(C(=O)NNC(=O)NC(C)C)cc(OC)c1OC	63269730	VPERGRXZXZZTMW-UHFFFAOYSA-N	321.377	1.785	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNc3ncnc4nc[nH]c34)[nH]n2)o1	174961498	PPWCAVYTGIKJID-UHFFFAOYSA-N	324.304	1.401	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCCOc1ccccc1	65208419	KEZOIBARKXZACW-UHFFFAOYSA-N	309.366	1.213	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cc2c(cc1F)NC(=O)CC2	120421384	LIINFHLQFWYPBX-QMMMGPOBSA-N	322.340	1.909	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cccc(C)c2F)nn1	123856512	TUOWRNLLRJMYNJ-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
Cc1ccc(F)cc1NC(=O)C(=O)NNC(=O)c1ccccc1	181984897	YWIQKOGFPDTDFF-UHFFFAOYSA-N	315.304	1.534	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@H]1CCCN(CC(F)(F)F)C1	122424506	NCGKADNUPHYEIY-QMMMGPOBSA-N	321.278	1.333	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2cc(C)n[nH]2)ccc1F	187110754	PVQIFFCYWAMUDL-UHFFFAOYSA-N	307.285	1.332	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC(F)(F)F)cc1F	124671525	BSVXHFPWVSZXLN-UHFFFAOYSA-N	309.219	1.341	50	20	DDGD	
O=C(Cc1cncs1)NNC(=O)c1cccc2ncccc12	187463286	OPWSLKSIRBOOJD-UHFFFAOYSA-N	312.354	1.695	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)CC[C@@H](C)OC	183004623	VTHXZDISQUOLIQ-SECBINFHSA-N	314.769	1.925	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccncc1F	78089430	JEMMTBAVNDHRJU-UHFFFAOYSA-N	303.293	1.233	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	123771173	QVXLDCZANBMNMP-UHFFFAOYSA-N	320.393	1.094	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2cc(F)cc(F)c2)n1	181519318	ICLOHDSZWCECRE-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
O=C(CC1CCCCC1)NCC(=O)NNc1ccnc(F)c1	182411026	CVTVSGDANMLHQL-UHFFFAOYSA-N	308.357	1.750	50	20	DDGD	
COCc1cccc(CC(=O)NNC(=O)NCc2ccco2)c1	189051911	ZAKVLPDYLSMLNC-UHFFFAOYSA-N	317.345	1.499	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)Cc1ccncc1	181816737	JZBXOXVTQUPMIF-UHFFFAOYSA-N	309.329	1.041	50	20	DDGD	
O=C(CCOCC(F)F)NNC(=O)Cc1ccccc1F	191525691	VXPXIMDWBUPOPQ-UHFFFAOYSA-N	304.268	1.187	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C\c1cc(OC)cc(OC)c1	192567538	RSLSZABWLVNFPK-LEBPBNDJSA-N	304.346	1.762	50	20	DDGD	
CCC[C@@H]1CN(CC(=O)NNC(=O)c2ccc(C)cc2)CCO1	131709943	UHWQKYDZRXLREN-OAHLLOKOSA-N	319.405	1.257	50	20	DDGD	
CC[C@@H]1CCC[C@@H](NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)C1	247025132	JLWASNSWVAKJCR-BZPMIXESSA-N	317.455	1.336	50	20	DDGD	
O=C(/C=C\c1cncc(F)c1)NNC(=O)NCc1ccco1	255668905	XWGFODDIDKDDED-ARJAWSKDSA-N	304.281	1.358	50	20	DDGD	
CS[C@@H](C)CNC(=O)NNC(=O)COc1cccc(C)c1	269843282	VWKMWGFKXHWZKQ-NSHDSACASA-N	311.407	1.456	50	20	DDGD	
O=C(NCC1(c2ccc(F)cc2)CC1)NNC(=O)C1CCC1	264679634	AAZYFXWXYFJNHA-UHFFFAOYSA-N	305.353	1.988	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)NCCC1=CCCCC1	267126341	QUWQCOARMPYOOU-LBPRGKRZSA-N	313.398	1.259	50	20	DDGD	
O=C(NC[C@@H]1CCOC1)NNc1ccc(OC(F)F)cc1	263817036	IQPGLTGRBNZBQN-VIFPVBQESA-N	301.293	1.951	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H](C)CCN(C)C)cccc1[N+](=O)[O-]	263969692	LWDRPFHJPODKIZ-JTQLQIEISA-N	309.370	1.870	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@]12CCOC2)c1cc2ccccc2o1	364720129	WPRHXLCSHBWFJL-ZBEGNZNMSA-N	300.314	1.620	50	20	DDGD	
O=C(NCCC1CC1)NNC(=O)c1cc([N+](=O)[O-])ccc1O	266762779	HDONSBPFHWHDSB-UHFFFAOYSA-N	308.294	1.045	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cc(C(=O)OC)ccc1F	273491028	OABIZRKVCQFTNR-MRVPVSSYSA-N	311.313	1.811	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)c(O)nc1=O	272879210	YJPXYSRQHBOVRK-UHFFFAOYSA-N	316.361	1.540	50	20	DDGD	
CC(=O)NNC(=O)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1	274168609	GXMIRGPSYACFBL-LLVKDONJSA-N	316.144	1.654	50	20	DDGD	
CC[C@@H](C)Oc1ccc(NC(=O)C(=O)NNC(=O)OC)cc1	274202577	LYJBFEKZHLVCKU-SECBINFHSA-N	309.322	1.190	50	20	DDGD	
C[S@@](=O)c1ccc(NC(=O)NNC(=O)C2CCC2)cc1F	272527718	DXIZTRYAWFFPIT-OAQYLSRUSA-N	313.354	1.516	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@H](C)C(=O)NNc1ncccc1F	286081050	UBAFYHNGLVQMLN-VIFPVBQESA-N	305.357	1.893	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H]1C[C@]12CCCc1ccccc12	378553839	VEAXHGPDNXZSRQ-PBHICJAKSA-N	301.390	1.973	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)NCc1ccc(Cl)cc1)C1CC1	286897134	OYGOPFGZRYELKN-CQSZACIVSA-N	311.769	1.331	50	20	DDGD	
COCCN(C)NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2	288570990	QUJZWZZSKASBKJ-VIFPVBQESA-N	309.391	1.342	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1ccc(C(F)F)cc1	288524733	WHXWWFIAEOZSBM-UHFFFAOYSA-N	306.334	1.980	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)c1	282638209	KGEGMMNXQSBJTE-MISXGVKJSA-N	317.414	1.799	50	20	DDGD	
COC1(C(=O)NNc2ccc(-n3ccnc3)nn2)CCCCC1	286581232	JVSCJKDNDMADGW-UHFFFAOYSA-N	316.365	1.455	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1cccc(-n2ccnn2)c1	807973569	SGXLBKPTIUSEMU-UHFFFAOYSA-N	309.333	1.155	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)[C@H]1CC1(Cl)Cl	298231122	ZLSNOFGQVKUKDT-SECBINFHSA-N	321.135	1.546	50	20	DDGD	
CN(NC(=O)NCc1ncnn1C(C)(C)C)c1ccccc1	800032122	XGYCGUYLAJXHHV-UHFFFAOYSA-N	302.382	1.884	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1ccccc1F	299092214	XZGZBKQSLXADAF-CYBMUJFWSA-N	321.352	1.378	50	20	DDGD	
COc1ccc2nc(C)c(C(=O)NNC(=O)c3ccc[nH]3)cc2c1	807297246	PJSMYVBRBHLZNE-UHFFFAOYSA-N	324.340	1.955	50	20	DDGD	
CCc1c(C(=O)NNc2nccnc2C2CCC2)cnn1C	805462050	WMFLMUXZINNOFX-UHFFFAOYSA-N	300.366	1.797	50	20	DDGD	
Cc1sc(NNC(N)=O)nc1-c1ccc2c(c1)NC(=O)CO2	800721253	OYFBZZDYGNMACL-UHFFFAOYSA-N	319.346	1.445	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1CNC(=O)NNC(=O)c1cnn(C)c1	297890969	RRGYWIXUBAFHNZ-NEPJUHHUSA-N	307.398	1.581	50	20	DDGD	
Cc1cc(C(F)(F)F)nn1CC(=O)NNC(=O)CC(C)(C)C	290383617	GCOGHNMEHZQIST-UHFFFAOYSA-N	320.315	1.794	50	20	DDGD	
COc1ccc(CCNC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	297303536	FIINFRGJQIXZQD-FZMZJTMJSA-N	321.377	1.136	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2occ3c2CCC3)c1O	803170151	UENIOLJTHPHZKT-UHFFFAOYSA-N	316.313	1.557	50	20	DDGD	
Cc1occc1C(=O)NCC(=O)NNC(=O)Nc1ccccc1	801986927	YWSMZYGSOMZLJY-UHFFFAOYSA-N	316.317	1.171	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cnc2[nH]c(O)nc2c1	809798709	AJUBZUXCYBVNBU-UHFFFAOYSA-N	313.321	1.334	50	20	DDGD	
O=C(COCc1ccccn1)NNc1ccccc1[N+](=O)[O-]	805155576	KDFVBZUVUFJKIX-UHFFFAOYSA-N	302.290	1.650	50	20	DDGD	
O=C(NCCc1ccco1)NNc1ccc2c(=O)[nH]ccc2c1	806311352	CWJVFMCYRKWBIY-UHFFFAOYSA-N	312.329	1.990	50	20	DDGD	
Cn1cnc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCCO3)c1	800791763	FTBJRDNVBBPNCS-WDZFZDKYSA-N	310.313	1.737	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)CNc1cccc(OC)c1	295542984	XNSDKFKBXQQJRH-CYBMUJFWSA-N	309.366	1.070	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802099387	PUOLVUWGXWOWIO-RNCFNFMXSA-N	323.349	1.629	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H]1CCCc2sccc21	802033003	MSKOBUHAPNJBCO-GFCCVEGCSA-N	316.386	1.838	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1nnc2ccccc2n1	810419443	BMPSMTYPAWTWSD-UHFFFAOYSA-N	301.697	1.225	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1ccc(C)nc1C	814762990	PPHQJCKLEUPANN-LBPRGKRZSA-N	318.421	1.507	50	20	DDGD	
CCS(=O)(=O)c1ccccc1C(=O)NNc1ncncc1F	817081179	VERPHCCLGCAWSR-UHFFFAOYSA-N	324.337	1.166	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1COc2ccc(Cl)cc21	814865780	YRCMABBVFNIETP-VIFPVBQESA-N	312.753	1.604	50	20	DDGD	
CC(C)C(=O)Nc1cc(C(=O)NNc2ncc(F)cn2)ccn1	815881706	WMYRIXAFVAOYFE-UHFFFAOYSA-N	318.312	1.362	50	20	DDGD	
Cc1noc2ncc(S(=O)(=O)NNC(=O)C3CCCC3)cc12	726766717	IXWCHLPIOJFHKO-UHFFFAOYSA-N	324.362	1.031	50	20	DDGD	
C[C@]1(CC(=O)NNC(=O)c2ccccn2)CC1(Cl)Cl	822122844	ZDZYHSVOWGKVAN-NSHDSACASA-N	302.161	1.817	50	20	DDGD	
Cc1cccc(CCNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	825832756	YTZCRLJOJLLNFO-GXTWGEPZSA-N	305.378	1.293	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1cccnc1Cl	496372310	BMMMTTNIIJLZEN-UHFFFAOYSA-N	312.757	1.710	50	20	DDGD	
CCCN(NC(=O)COC[C@H]1CCCO1)C(=O)OC(C)(C)C	496472037	GQEQURQCPKVFIH-GFCCVEGCSA-N	316.398	1.860	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)ccc1F	728854816	AWTHUQVJCLSTBR-UHFFFAOYSA-N	316.288	1.938	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)CCc2ccc(OC)cc2)nc1	728816417	KBLUYHANLNOSEU-UHFFFAOYSA-N	323.352	1.465	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)NNc1nc[nH]n1	496593532	CEAYEBCCKDZACZ-VIFPVBQESA-N	310.358	1.037	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@@H]2CCN(C)[C@@H]2C)cc1	823802131	WTHVRCORNLADSZ-TZMCWYRMSA-N	321.446	1.575	50	20	DDGD	
O=C(NNc1ccccc1F)c1sccc1-c1nn[nH]n1	826449572	ZEBGRZCSKQRWPG-UHFFFAOYSA-N	304.310	1.824	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H](C)OCc1ccc(F)cc1	822193813	SWDDEZATVKPZEH-JTQLQIEISA-N	311.382	1.412	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)C2CCOCC2)CCOc2ccccc21	829558002	VBYDWWQPVIKKKK-KRWDZBQOSA-N	318.373	1.301	50	20	DDGD	
COCCCCc1cccnc1NCc1ccc(B(O)O)cc1	585042353	BBHQZYUKCXRHFK-UHFFFAOYSA-N	314.194	1.343	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)OCCCS(C)(=O)=O)c1	728616614	BIQHVZDWGMZOHC-LCYFTJDESA-N	323.370	1.580	50	20	DDGD	
CC1(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)CCC1	824784210	OOCQXRYRUXLZHG-UHFFFAOYSA-N	307.745	1.548	50	20	DDGD	
Nc1ccc(NC(=O)NNC(=O)C2CCCC2)cc1[N+](=O)[O-]	823962866	XUTVVAPUUXQCLE-UHFFFAOYSA-N	307.310	1.520	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=O)COc2cc(C)ccc2C)CC1	822196195	ZPNGVXUNVGDXIC-UHFFFAOYSA-N	318.373	1.589	50	20	DDGD	
CC1CCC(OCc2nc(-c3cccc(B(O)O)c3)no2)CC1	585052431	MDEGGKOBTMKJOX-UHFFFAOYSA-N	316.166	1.512	50	20	DDGD	
CC(C)(C)OC(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)nc1	496258688	ZAPDHDDKOVWGHA-UHFFFAOYSA-N	320.349	1.600	50	20	DDGD	
CC[C@@H](OC1CCCC1)C(=O)NNC(=O)c1ccccc1O	733355329	COULHDDVYLUKQG-CQSZACIVSA-N	306.362	1.891	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccccc1Oc1cccnc1	823965544	ORNRMNGRQQKHSL-GFCCVEGCSA-N	301.346	1.831	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2conc2C(F)(F)F)n1	829487792	KCHUQWHMVBTIRP-UHFFFAOYSA-N	317.227	1.557	50	20	DDGD	
CC(C)C(=O)NNC(=O)CNC(C)(C)COCc1ccccc1	829449102	LZDRLUNPIYOUKW-UHFFFAOYSA-N	321.421	1.375	50	20	DDGD	
CC(C)[C@H](NCc1ccc(B(O)O)cc1)[C@@H](O)c1ccccc1	585038952	NAHBEZSMFWQXFT-ROUUACIJSA-N	313.206	1.214	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1csc(C(=O)OC)c1	901421645	FESURCRVLHZVQP-WDZFZDKYSA-N	308.359	1.594	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)CC(F)(F)F)C(=O)c1ccccc1	732827470	HEPUNDNAYWRFKN-VIFPVBQESA-N	316.279	1.995	50	20	DDGD	
CC[C@H](C)[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(F)(F)F	584981211	ADWWJLUGXHITFL-GZMMTYOYSA-N	303.089	1.073	50	20	DDGD	
O=C(NCc1ccc(O)c(F)c1)NNC(=O)c1ccccc1O	739058214	DDNMQNRTZKEYMQ-UHFFFAOYSA-N	319.292	1.381	50	20	DDGD	
Cc1nc(NC(=O)NNC(=O)Cc2ccccc2F)oc1C	731360325	BPORCDOUZCFHDP-UHFFFAOYSA-N	306.297	1.826	50	20	DDGD	
CCN(CC)C(=O)CCCC(=O)NNC(=O)NC1CCCC1	732755779	FFARGSQNGRAYMV-UHFFFAOYSA-N	312.414	1.298	50	20	DDGD	
CC[C@@H](Sc1ccccc1)C(=O)NNc1nnc(C)c(O)n1	732264786	XHTBENAJPOYUMH-LLVKDONJSA-N	319.390	1.900	50	20	DDGD	
C[C@]1(C(=O)NC[C@H](O)Cc2ccccc2)C[C@H]1Br	906951760	JSBXEZNZMOSPMV-BZPMIXESSA-N	312.207	1.880	50	20	DDGD	
Cc1noc(C2CC2)c1NC(=O)NNC(=O)[C@@H]1CCCCO1	836508139	IFMZXDCVMNGXEW-JTQLQIEISA-N	308.338	1.582	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccccc1NC1CCCCC1	830696628	IUOVXQOZBLWYPW-UHFFFAOYSA-N	319.405	1.963	50	20	DDGD	
COc1ccc(CN2CC[C@H](B(O)O)C2)c(OC(F)F)c1	585076653	PAMPARPPNCGONV-JTQLQIEISA-N	301.098	1.345	50	20	DDGD	
CC(C)(CO)N1CCN(C(=O)[C@@]2(C)C[C@H]2Br)CC1	907144858	QZHUOZFMQNREDR-MFKMUULPSA-N	319.243	1.075	50	20	DDGD	
O=C(NCCCCCN1CCCCC1)NNC(=O)C1CCC1	732252746	ADHHVFATAKNJGU-UHFFFAOYSA-N	310.442	1.773	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1c(C)nn(C(C)C)c1C	901196826	UBVGIGFCEZIAND-UHFFFAOYSA-N	321.425	1.836	50	20	DDGD	
C[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)CC12CCCCC2	584974421	HIEQLHNOJXIFAN-CQSZACIVSA-N	315.222	1.799	50	20	DDGD	
CC(C)(NC(=O)O)C(=O)NNC(=O)c1cccc2cccnc12	736337106	NIAFQTDCUHUGJQ-UHFFFAOYSA-N	316.317	1.042	50	20	DDGD	
CSc1ncc(Cl)c(C(=O)NNC(=O)C2CCC2)n1	732143214	XDCHWNXPDCZNNY-UHFFFAOYSA-N	300.771	1.413	50	20	DDGD	
Cc1cc(NNC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1Cl	905154583	HRRDRRPOMFKKEC-JTQLQIEISA-N	317.798	1.462	50	20	DDGD	
O=C(NN=C1CCC(C(=O)O)CC1)c1cc([N+](=O)[O-])ccc1O	738506991	QITHYPPALONGPJ-UHFFFAOYSA-N	321.289	1.661	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCc1cccnc1)c1ccccc1	731219567	ZCQKLPXGPZUVIN-UHFFFAOYSA-N	312.373	1.890	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CC[C@H](c3ccc(F)cc3)C2)o1	585039065	OFTBXEGRKTVHFI-GXTWGEPZSA-N	303.142	1.524	50	20	DDGD	
CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)NNc1cccnn1	736710968	QFBYRZHKXALJDA-NSHDSACASA-N	308.386	1.042	50	20	DDGD	
Cc1cc(N2CCCC2)ccc1NCc1ccc(B(O)O)cc1	585012600	NNFCIJVEWLBDRJ-UHFFFAOYSA-N	310.206	1.887	50	20	DDGD	
CNC(=O)NNC(=O)c1cccc(N(C)C(=O)OC(C)(C)C)c1	900352576	HIYVKAHOKHSQLO-UHFFFAOYSA-N	322.365	1.632	50	20	DDGD	
C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cccc(B(O)O)c1	584947095	GIZRXRIAVPCIOR-XJKSGUPXSA-N	309.174	1.385	50	20	DDGD	
O=C(CCCn1ccccc1=O)NNc1ncccc1Cl	735117255	ZNYMJRQJNGGZRS-UHFFFAOYSA-N	306.753	1.820	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NC[C@]1(C)CCC(=O)N1	838732927	ILZKVVURSGIUTM-INIZCTEOSA-N	304.394	1.852	50	20	DDGD	
CCCCN(CC(F)(F)F)C(=O)c1ccc(B(O)O)c(F)c1	584934998	WCNFIXSHNAFIEK-UHFFFAOYSA-N	321.079	1.310	50	20	DDGD	
COC[C@H](NC(=O)[C@]1(C)C[C@@H]1Br)[C@@H]1CCCO1	907851296	YZRJJUMTVCSDJS-QFOLPQNPSA-N	306.200	1.470	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(-n3cccn3)nc2)nc(C)n1	736716755	LKTCSQFJMFMCTO-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)[C@H](C)Oc2ccccc2F)n1	834930217	QFUVKIYCLWWXCZ-NSHDSACASA-N	319.340	1.663	50	20	DDGD	
Cc1nn(C)c(Cl)c1COC(=O)/C(C#N)=C\c1cnn(C)c1	837968914	HQFBUDTYMAKJMP-WCIBSUBMSA-N	319.752	1.766	50	20	DDGD	
CN(C(=O)c1cc(B(O)O)ccc1F)[C@@H]1CCC[C@H]1C(C)(C)C	585001636	ZTBZCWSCYZLLNU-UKRRQHHQSA-N	321.201	1.792	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)SCC1CCNCC1	830483484	GYLKQNGZHCFNKW-LLVKDONJSA-N	301.456	1.301	50	20	DDGD	
O=C1C[C@H](NS(=O)(=O)CCl)CN1c1c(F)cccc1F	831019956	LWEWUPBIKXHRAO-ZETCQYMHSA-N	324.736	1.186	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc(C#N)cc1)[C@H](C)C(C)C	839471430	VCJSVOBEUBYDJH-CYBMUJFWSA-N	316.405	1.686	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2ccccc2F)c(O)n1	916741355	ZIPLAVLMHGNZCK-UHFFFAOYSA-N	319.292	1.075	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)C2CC2)c(Br)s1	839461337	SGSVNMHHLNPDPY-UHFFFAOYSA-N	304.169	1.385	50	20	DDGD	
CC(C)CC(=O)N[C@@H](C(=O)NN(C)C[C@H](C)O)c1ccccc1	910163391	BPQKDKBQLUGUSK-XJKSGUPXSA-N	321.421	1.234	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)c([N+](=O)[O-])c1	837479059	CMYSXTHSJSLYPB-GDPRMGEGSA-N	319.317	1.662	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)c(C(C)C)n1	831936743	FGEMFUNYKUEZJG-UHFFFAOYSA-N	313.361	1.797	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCn2cc(C)cn2)cc1F	837051863	QOEMTOYJCIDFMI-UHFFFAOYSA-N	320.324	1.651	50	20	DDGD	
C[C@@]1(C(=O)NCc2ccc(O)cc2O)C[C@@H]1Br	910944464	MNQGBFPYUXKBAG-CMPLNLGQSA-N	300.152	1.888	50	20	DDGD	
CCc1ncncc1C(=O)NNC(=O)c1cc2c(s1)CCC2	916122778	YGKRUJLKAATCOI-UHFFFAOYSA-N	316.386	1.664	50	20	DDGD	
COc1cc(C(=O)NN=Cc2cc[nH]c2)cc(OC)c1OC	745192280	CVNKCAQFSRRTCL-UHFFFAOYSA-N	303.318	1.804	50	20	DDGD	
O=C(Cc1ccncc1)NN=Cc1ccccc1N1CCOCC1	747641564	FDOQXJZECWPUFQ-UHFFFAOYSA-N	324.384	1.611	50	20	DDGD	
CCN1C[C@H](CNC(=O)[C@]2(C)C[C@@H]2Br)CC1=O	911892112	ZBONTXJZXOLSTB-HOTUBEGUSA-N	303.200	1.145	50	20	DDGD	
CCCN(C)CC(=O)Nc1cccc(NC(=O)NN(C)C)c1	843870876	RMGLDEDKAGBZBK-UHFFFAOYSA-N	307.398	1.565	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1ccc(N2CCCC2)nc1	842551158	CDLBIAIFDSDCCC-TZMCWYRMSA-N	302.378	1.557	50	20	DDGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCCO)c1C	913150818	IOQKLXLUZNLVMR-PWDRSIHYSA-N	306.362	1.755	50	20	DDGD	
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NNC(=O)N(C)C	746014711	OCZDHTPGRWPLDN-ZDUSSCGKSA-N	304.350	1.264	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N[C@@H]1CCCN(O)C1=O	848139097	XLENKSTVYQUQQM-BIRHUZIMSA-N	303.293	1.229	50	20	DDGD	
O=C(NNC(=O)c1ccc(-c2ccco2)nc1O)c1cccnc1	743734267	LGLSKSRNORCYQJ-UHFFFAOYSA-N	324.296	1.517	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)c2occc2C)c1	744521071	MNVFSHRYXZCWOZ-UHFFFAOYSA-N	316.313	1.514	50	20	DDGD	
CN1CC[C@@H](NC(=O)NNc2ccc(F)cc2Cl)C1=O	919757952	JFAZOHSZPGZEQU-SNVBAGLBSA-N	300.721	1.336	50	20	DDGD	
O=C(NN=CC[C@H]1CCCCC12OCCO2)c1ncccn1	841664582	YUNVROYMTLSGFO-GFCCVEGCSA-N	304.350	1.516	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CNC2(C3CCC3)CC2)c1	844417981	NTHYSDRQKNLMBV-UHFFFAOYSA-N	312.373	1.242	50	20	DDGD	
C[C@H](COCC(=O)NNC(=O)c1cnn(C)c1)c1ccccc1	844392785	BKJOCJOTSTYJJL-GFCCVEGCSA-N	316.361	1.001	50	20	DDGD	
O=C(NCCOC[C@@H]1CCOC1)NNc1ccc(Cl)nc1	745813094	XNAYJYSVBREQGC-SNVBAGLBSA-N	314.773	1.414	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1ccccc1-n1cncn1	745313639	UZYFFZUHOYWINY-NTEUORMPSA-N	311.345	1.327	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H]2SCCc3sccc32)nc1O	743296166	WGFABEZZWIZMAT-VIFPVBQESA-N	323.403	1.421	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNC(=O)CC(F)(F)F)c1	918367558	YWPIGUGTWRMMSH-UHFFFAOYSA-N	304.224	1.187	50	20	DDGD	
COC(=O)C[C@H](C)SCC(=O)NNC(=O)c1cccc(C)c1	742454111	LHNOPPPHOLSAHH-NSHDSACASA-N	324.402	1.441	50	20	DDGD	
CCN[C@H](C)CNC(=O)NNC(=O)Nc1ccc(Cl)cc1	841987120	YBCVWMSEMBXWPD-SECBINFHSA-N	313.789	1.674	50	20	DDGD	
COC/C(C)=C\C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	846094546	RNPQMVNKQCKGCK-UITAMQMPSA-N	307.306	1.161	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1cn(C)nc1-c1ccncc1	842553215	FVBCNTUXBGYKGP-BXUZGUMPSA-N	313.361	1.357	50	20	DDGD	
CC1(C)[C@H]2CN(CC(=O)NNC(=O)c3cccc(Cl)c3)C[C@H]21	741807743	LCZUVAFRJLGAGP-BETUJISGSA-N	321.808	1.689	50	20	DDGD	
CC(C)[C@@H](N)CNC(=O)NNC(=O)c1cccc2ncccc12	841942975	DZZZGHIPJNTNCD-ZDUSSCGKSA-N	315.377	1.162	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc(C(F)(F)F)cn1	920859460	IEPYRSARHROHOV-UHFFFAOYSA-N	302.256	1.454	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12	847444741	KHFKHXHNSDORBT-ZJUUUORDSA-N	322.331	1.286	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cncc2ccccc12	920862643	KSACMODFVOUPOC-UHFFFAOYSA-N	302.334	1.215	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccccc1Br	755331770	JMQNXKWVHKUXAR-UHFFFAOYSA-N	302.128	1.248	50	20	DDGD	
C#CCSCCNC(=O)NNc1cccc(C(=O)OC)c1C	853775309	UBPJFKPEESPGDJ-UHFFFAOYSA-N	321.402	1.774	50	20	DDGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cnc2[nH]nnc2c1	755577178	WVPUOJNWFPVSLB-UHFFFAOYSA-N	306.688	1.902	50	20	DDGD	
C[C@@H](C(=O)NNc1ncc(Cl)cn1)N1CCSCC1	857357188	JXEXCCZJFQAWQY-QMMMGPOBSA-N	301.803	1.010	50	20	DDGD	
CC(=NNC(=O)c1cc(-c2ccccc2)[nH]n1)c1cnn(C)c1	920827660	XWLKZMIMOTYYKL-UHFFFAOYSA-N	308.345	1.964	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)Nc1nnc2ccccn12	756433099	MXDZOALWRFESFB-UHFFFAOYSA-N	324.344	1.515	50	20	DDGD	
C[C@@]1(CNC(=O)c2c[nH]nc2[N+](=O)[O-])C[C@H]1Br	857391636	RSNHNRRBDHYLIS-MUWHJKNJSA-N	303.116	1.221	50	20	DDGD	
C[C@@H](CO[C@H]1CCOC1)NC(=O)NNc1cc(F)ccc1F	921387251	DUKKCEZMBNIFOS-ONGXEEELSA-N	315.320	1.785	50	20	DDGD	
CN(CC1(C)COC1)C(=O)NNC(=O)C(C)(C)c1ccccc1	858207319	OWFOEWCPUOHADI-UHFFFAOYSA-N	319.405	1.673	50	20	DDGD	
NC(=O)CC1(CNC(=O)NNc2cc(F)cc(Cl)c2)CC1	854182252	JONNQFHSDMKTFP-UHFFFAOYSA-N	314.748	1.761	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(C)nc2cc(C)nn12	920822527	XDNQZZJENQEUBX-UHFFFAOYSA-N	304.354	1.090	50	20	DDGD	
O=C(NNC(=O)[C@H](O)CCc1ccccc1)OCC(F)(F)F	856021739	LKIXQWKKMGMVBO-SNVBAGLBSA-N	320.267	1.300	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)Nc1ccc(C2CC2)nn1	757699896	LLAROLAEIGQMPY-UHFFFAOYSA-N	313.317	1.526	50	20	DDGD	
C[C@@H]1COC[C@H]1NC(=O)NNC(=O)c1ccc(Cl)cc1F	926010675	PMAWEKIJTJDYCJ-RDDDGLTNSA-N	315.732	1.458	50	20	DDGD	
CC(=O)Nc1ccc(NC(=O)NNC(=O)CC(F)(F)F)cc1	755495982	ZUQVQAKISXPGRH-UHFFFAOYSA-N	318.255	1.750	50	20	DDGD	
CCC(=NNC(=O)CNC(=O)c1cccs1)c1ccn(C)n1	758107872	CSYOBMVFGVYSCT-UHFFFAOYSA-N	319.390	1.142	50	20	DDGD	
O=C(CCn1cc(Cl)cn1)NNC(=O)OCC(F)(F)F	856024328	QWEUAOXHNZAIEN-UHFFFAOYSA-N	314.651	1.246	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1	852554977	GVPUPOOVEJVXMR-CYBMUJFWSA-N	320.349	1.134	50	20	DDGD	
Cn1cc(C=NNC(=O)OCC(F)(F)F)c(C(F)F)n1	853429633	OGWPFQDEBQVJAW-UHFFFAOYSA-N	300.187	1.980	50	20	DDGD	
CCN(CCOCCO)C(=O)NC[C@]1(C)C[C@@H]1Br	856959892	ZGAGDAKYICOHLQ-JQWIXIFHSA-N	323.231	1.200	50	20	DDGD	
CN(C(=O)NNC(=O)c1cccc(F)n1)C(C1CC1)C1CC1	852711612	RARIZXKVOBTKIO-UHFFFAOYSA-N	306.341	1.696	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(F)cc1	853387169	MXJUZFIAWATJPC-ZBFHGGJFSA-N	319.380	1.919	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H](C)Oc1ccccc1Cl	854927031	UUPMMNLTVCXJPE-MRVPVSSYSA-N	301.799	1.575	50	20	DDGD	
CC[S@@](=O)CCNC(=O)NNc1ccc([N+](=O)[O-])cc1F	853777861	DIEUFFYEOVCRSJ-OAQYLSRUSA-N	318.330	1.129	50	20	DDGD	
CN(C[C@H]1COCCO1)/C(=C\C#N)c1cccc([N+](=O)[O-])c1	852496970	UMHATVZIVPIKEH-URIHLITRSA-N	303.318	1.806	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccccc1N1CCOCC1	751314473	AMMKTJKZDWCUNZ-UHFFFAOYSA-N	305.378	1.330	50	20	DDGD	
O=C(Cn1cc(C2CC2)cn1)NNC(=S)NCC1CCC1	855093203	BHNSTGBRYQPJQL-UHFFFAOYSA-N	307.423	1.056	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNC(=O)c2ccc(C#N)cc2)ccn1	759768019	MIUFBQJCJDBZSZ-UHFFFAOYSA-N	324.340	1.815	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H](C(C)C)N1Cc2ccccc2C1=O	854213815	LKKAFILBNWWFKK-AWEZNQCLSA-N	317.389	1.470	50	20	DDGD	
CC[C@@H]1COCCN1C(=O)NC[C@]1(C)C[C@@H]1Br	856956948	XGTJCSMZXMZLOO-SCVCMEIPSA-N	305.216	1.980	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)C2CCC2)cc1-c1ccc(F)cc1	932515565	IPSFCQNUDFZPDY-UHFFFAOYSA-N	316.336	1.787	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)Cc2cccnc2)c(C2CC2)n1	865167083	IIIVGVMAHGJBGB-UHFFFAOYSA-N	313.361	1.179	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(OC(F)F)cc1	863145502	JYDPZRONFPNIOT-NSHDSACASA-N	311.288	1.407	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)/C=C\SC	762407694	DXGNHMUOMVMBBY-FPLPWBNLSA-N	312.416	1.811	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C(C)(C)c2ccc(F)cc2)n[nH]1	869012075	FOROVRFNNIVYIZ-UHFFFAOYSA-N	318.352	1.525	50	20	DDGD	
CC(C)N1CCC(CCNC(=O)NNc2ncncc2F)CC1	868945570	KVIINTWLDVSUDX-UHFFFAOYSA-N	324.404	1.752	50	20	DDGD	
CC(CCCCO)=NNC(=O)Cc1nc2ccccc2n1C	766687370	BVLYQFQZIVOITK-UHFFFAOYSA-N	302.378	1.771	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1cccc2ccncc12	763887794	AFMXFPXFBXQDAQ-UHFFFAOYSA-N	314.345	1.367	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)C(C)(C)C(N)=O	768091332	UBZOJMWRGATOIY-UHFFFAOYSA-N	314.183	1.712	50	20	DDGD	
O=C(NN=Cc1ccc2cc[nH]c2c1)[C@@H]1CCS(=O)(=O)C1	863077595	JOISPROSPJUZFL-GFCCVEGCSA-N	305.359	1.053	50	20	DDGD	
Cc1c(NNC(=O)c2n[nH]cc2[N+](=O)[O-])cccc1[N+](=O)[O-]	765011967	VKSIBOLQQSRQSM-UHFFFAOYSA-N	306.238	1.291	50	20	DDGD	
COCCOCC(=O)NNC(=O)/C(F)=C\C1CCCCC1	869905992	HTANWUZANGLGOM-FMIVXFBMSA-N	302.346	1.231	50	20	DDGD	
C[C@@H](NNC(=O)C(=O)c1cnn(C(C)(C)C)c1)C(F)(F)F	862309612	NPHIOTINFHUSOK-SSDOTTSWSA-N	306.288	1.392	50	20	DDGD	
C[C@@H](NNC(=O)c1cccnc1-c1cnn(C)c1)C(F)(F)F	862319963	OCCXFSRNSUYPEG-MRVPVSSYSA-N	313.283	1.667	50	20	DDGD	
CN(N=Cc1ccccc1I)C(N)=O	767910506	JFZOGKLWUNCCAY-UHFFFAOYSA-N	303.103	1.636	50	20	DDGD	
CC(C)(C(=O)NNC(=O)C1CC1)c1ccc([N+](=O)[O-])cc1F	762544624	STAXIBCXIRUUKU-UHFFFAOYSA-N	309.297	1.569	50	20	DDGD	
C=CCCOCC(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1	768261935	ZPAXBDLQOBDGAE-UHFFFAOYSA-N	320.374	1.492	50	20	DDGD	
O=S(=O)(CBr)NCc1cccc(F)c1F	867658083	XCYYEXAJHQMTSW-UHFFFAOYSA-N	300.124	1.737	50	20	DDGD	
CC(C)(C)OC(=O)Cn1cccc1C=NNC(=O)c1cn[nH]c1	863153887	GOPRUQSWIJZNHL-UHFFFAOYSA-N	317.349	1.317	50	20	DDGD	
COC[C@@](C)(O)C(=O)NNC(=S)Nc1cc(C)ccc1C	873755750	SOQRQOWLZFBOOQ-CQSZACIVSA-N	311.407	1.018	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NN=C1CCC[C@@H]1F	872387051	DPRGLKPMRDDSAF-NTZNESFSSA-N	308.357	1.882	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cc(-c2ccco2)nn1C	1116813819	CUYSYCVHTUKKDW-SECBINFHSA-N	305.338	1.879	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@@H]2CCN(CC(C)C)C2)cc[nH]1	875369870	QHKVVUOFYISIJF-AWEZNQCLSA-N	305.426	1.416	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2ccncc2F)c1	776540915	FKEBKKUGPFWCOF-UHFFFAOYSA-N	309.322	1.381	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H](O)C1)c1cc2c(s1)CCCCC2	873817625	BQYYBPPSWLGARG-PHIMTYICSA-N	308.403	1.549	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)COC2(C)CCC2)c1	772952639	MTSQQZGYPAOXET-UHFFFAOYSA-N	305.378	1.473	50	20	DDGD	
CCOCC(=O)NN=C(C)c1cc2c(s1)SCC(=O)N2	778542646	XMDOXKKTVWZICT-UHFFFAOYSA-N	313.404	1.669	50	20	DDGD	
Cc1nc(C(C)C)ncc1C(=O)NNC(=O)Cc1ccncc1	879069372	MLMBRUUGKYWEBL-UHFFFAOYSA-N	313.361	1.307	50	20	DDGD	
O=C(NNC(=O)c1coc(C2CCOCC2)n1)c1cccnc1	771603037	XBTLMLVVDGBFLD-UHFFFAOYSA-N	316.317	1.038	50	20	DDGD	
CC[C@@H](NNC(=O)c1cn[nH]c1)C(=O)N(C)c1ccc(C)cc1	871895955	FFCWIBFXYMERBX-CQSZACIVSA-N	315.377	1.394	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C2(COC)CCC2)c1	874952554	XWGFOXXQIGSRTC-UHFFFAOYSA-N	317.414	1.802	50	20	DDGD	
O=C(NN=Cc1cccc(O)c1O)c1n[nH]c2c1CCCC2	1115823907	AGFAGVUQXPHTRI-UHFFFAOYSA-N	300.318	1.464	50	20	DDGD	
CC[C@@H](NNC(=O)[C@H]1CCCCO1)C(=O)Nc1ccc(C)cc1	871886926	HDPQLFQKEAOGER-HUUCEWRRSA-N	319.405	1.902	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)c1cccc(F)c1	772161485	YCENYKWRAKVDRL-NXEZZACHSA-N	310.325	1.418	50	20	DDGD	
CCC[C@@H]1C[C@@H](C(=O)NNC(=S)NC(C)(C)C)CCO1	779874311	XUGXHNTWXOGXIF-WDEREUQCSA-N	301.456	1.876	50	20	DDGD	
COCCO[C@H]1COCC[C@@H]1NC(=O)NN(C)c1ccccc1	776945454	ZGTRZWJYSCVYCE-GJZGRUSLSA-N	323.393	1.158	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)C1CCOCC1)c1cccc(F)c1	883063280	JYJDKQPJXLHURD-LUAWRHEFSA-N	306.337	1.803	50	20	DDGD	
O=C(NCCO[C@H]1CCOC1)NNc1ccc(Cl)cn1	1122132400	UTKDPDKOUPBOMT-JTQLQIEISA-N	300.746	1.167	50	20	DDGD	
C[C@@]1(Cn2nnnc2N2CCC(F)CC2)C[C@H]1Br	1120227345	VJMQMVKIDKTHOE-KOLCDFICSA-N	318.194	1.785	50	20	DDGD	
COc1ccc(C(=O)NNc2cc(Cl)nc(N)n2)cc1OC	779374563	OYPVDWFYTZLRGS-UHFFFAOYSA-N	323.740	1.486	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCC[C@@H]2CCO)c1	779710371	FLFYKLSZZWYNKK-TZMCWYRMSA-N	316.361	1.053	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)N[C@H]1CCCC12OCCO2	889515851	HXWWAPFCDOTEGN-JTQLQIEISA-N	312.757	1.657	50	20	DDGD	
O=C(NNC(=S)NCCc1ccc(F)cc1)NC1CCCC1	789209147	RFNPPOFVRGQEAM-UHFFFAOYSA-N	324.425	1.989	50	20	DDGD	
COc1cccc(NNC(=O)/C=C/c2ccc(O)c(O)c2)n1	781027410	QISLNIVWEMVKIJ-SOFGYWHQSA-N	301.302	1.658	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CC1CN(C(=O)OC(C)(C)C)C1	887144243	GXPCJYUEUNXGOI-UHFFFAOYSA-N	323.393	1.194	50	20	DDGD	
CCNC(=O)CC(=O)NNc1cccc(Br)c1	780991471	IQWNOJRHRNKPDF-UHFFFAOYSA-N	300.156	1.418	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@H](C)C[C@H]1[C@@H](C)O	785545109	DISFLIQIVCBSFH-FQUUOJAGSA-N	313.442	1.050	50	20	DDGD	
O=C(Cc1ccn(CC(F)(F)F)n1)NNc1cccc(F)n1	899105763	YWJHYTTWKXOXKC-UHFFFAOYSA-N	317.246	1.665	50	20	DDGD	
CC(C)(O)CCC(=O)NNc1ccccc1S(C)(=O)=O	787442571	ZDCFRSOAYIALIC-UHFFFAOYSA-N	300.380	1.084	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@H]2CCC(C)(C)C2)c1O	781679962	MBENSFFKZNYNLG-JTQLQIEISA-N	306.362	1.988	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)Nc2ccon2)cc1Cl	785091673	IIBFWZOTVIKPRI-UHFFFAOYSA-N	305.681	1.281	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCC(=O)NCCc1ccc(F)cc1	786666013	LFGOLJPFVBGYLD-NTEUORMPSA-N	316.332	1.888	50	20	DDGD	
Cc1cnc(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)cn1	788255042	UIERTFQJMZYXSB-UHFFFAOYSA-N	314.349	1.635	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)[C@]1(C)CCCO1	782218835	GEFZBRSYBBDIAE-AWEZNQCLSA-N	309.391	1.539	50	20	DDGD	
COC(=O)c1cc(C(=O)NNC(=O)c2cccc(Cl)c2)on1	781416802	WODOXBQEKMFEEK-UHFFFAOYSA-N	323.692	1.189	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1ccc(=O)n(C)n1	798142322	PXIKZWJXVNJQGL-UHFFFAOYSA-N	322.756	1.104	50	20	DDGD	
CN1CCN(C(=O)NN=C/C=C\c2ccc(F)cc2F)CC1	790182032	RQSVTJMSXSOYSC-SFJSUOFJSA-N	308.332	1.921	50	20	DDGD	
O=C(CCc1cnccn1)NNc1nc(-c2ccccc2)no1	793480179	SLPXRCABXINDMW-UHFFFAOYSA-N	310.317	1.603	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)Nc1cccc([N+](=O)[O-])c1	794755324	YGJUULZELJKLHD-UHFFFAOYSA-N	316.277	1.270	50	20	DDGD	
Cn1nncc1C(=O)NNC(=O)c1ccc(Cl)cc1Cl	798839254	YUBHVNFMFBCAJU-UHFFFAOYSA-N	314.132	1.197	50	20	DDGD	
COc1cc(NNC(=O)[C@@H]2CCCN2C(N)=O)ccc1Cl	790181895	ZZJNRFQNOOETPV-JTQLQIEISA-N	312.757	1.335	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)C[C@@H]1CCC(=O)[C@H]1C	793773342	RXRIQBGWCAQZKM-QWRGUYRKSA-N	304.346	1.922	50	20	DDGD	
CCS(=O)(=O)C[C@@H](C)NC(=O)NCCSSC	790769811	ILVZDYQJGHOPDF-MRVPVSSYSA-N	300.471	1.120	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)C1CCC1)NC(=O)OC(C)(C)C	792262383	VUOUZQPFNFFTHA-VIFPVBQESA-N	314.386	1.030	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C1(Sc2ccccc2)CC1	1319445758	YKCADEHYVDUCSM-UHFFFAOYSA-N	316.386	1.804	50	20	DDGD	
O=C(NNC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)c1ccccc1	1317737705	UUVYYLFRBNXSEY-LGBHXNNWSA-N	314.385	1.779	50	20	DDGD	
CCCC(=O)Nc1cccc(NC(=O)NNC(=O)CCO)c1C	1320567666	XXHKIKFAQKCQKZ-UHFFFAOYSA-N	322.365	1.269	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2CCC[C@H]2CCO)cc1	1320619055	SYQPBXGSIZYJHH-SMDDNHRTSA-N	321.377	1.190	50	20	DDGD	
CCC(=O)N1CCC(=NNC(=O)c2ccc(C)c(O)c2)CC1	1330889686	CWZZDSURJDHPAW-UHFFFAOYSA-N	303.362	1.819	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1n[nH]c2c1CCCC2)c1cccs1	1252010645	OTCHJZIWARFDLX-SECBINFHSA-N	318.402	1.915	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Nc2ncc(C)s2)cc1	1254720891	BMEUQZHDDMFMAG-UHFFFAOYSA-N	306.347	1.927	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CO[C@H]2CCOC2)c1C	1347848366	ZUXPUXUNCYAHIH-NSHDSACASA-N	308.334	1.030	50	20	DDGD	
COc1coc(C(=O)NNc2ccc(C(C)(C)C)nn2)cc1=O	1344549345	MJPDXJKLTCSEPB-UHFFFAOYSA-N	318.333	1.493	50	20	DDGD	
COc1ccc(NNC(=O)c2cnn3c2NC[C@@H](C)C3)nc1	1349491302	AIFZWIHMUVAOAH-SECBINFHSA-N	302.338	1.105	50	20	DDGD	
CS(=O)(=O)N1CC[C@@H](CNC(=O)C2CCC(Cl)CC2)C1	1521279879	MOEBGGHVZBNRAC-UNXYVOJBSA-N	322.858	1.182	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2CCCc3n[nH]cc32)nc1	1602384627	IWELEWUIYGMYSB-VIFPVBQESA-N	301.306	1.066	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1ccc(C(=O)O)cc1C	1606901327	XAWULPWMOXGJHK-UHFFFAOYSA-N	308.334	1.196	50	20	DDGD	
O=C(NNc1cccc(F)n1)N[C@H]1C[C@H]2C[C@H](C(=O)O)C[C@@H]12	1601560954	HUMVMVLGTWZCRU-RGOKHQFPSA-N	308.313	1.346	50	20	DDGD	
O=C(Cn1cc(C2CC2)cn1)NNc1cccc(C(=O)O)c1	1601383646	NMVAJZFMIXUQFD-UHFFFAOYSA-N	300.318	1.602	50	20	DDGD	
O=Cc1ccccc1OCC(=O)NNc1ccccc1C(=O)O	1602668593	HGUJVIYPINCATK-UHFFFAOYSA-N	314.297	1.719	50	20	DDGD	
O=C(NCc1cccnc1)NNc1ccc(F)c(C(=O)O)c1	1601543891	GTWCVNPPQVJONA-UHFFFAOYSA-N	304.281	1.745	50	20	DDGD	
O=C(O)[C@@]1(C(=O)NNc2ccnc(F)c2)C[C@H]1c1ccccc1	1601703371	ZFSVFZYFVYROJA-LRDDRELGSA-N	315.304	1.922	50	20	DDGD	
Cn1cc(CNC(=O)NNc2ccc(C(=O)O)cc2F)cn1	1600954050	UIHODAANYDWBBO-UHFFFAOYSA-N	307.285	1.084	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)Nc1ccc(C(=O)O)nc1	1601252323	AIDQDFURGQZCCK-UHFFFAOYSA-N	306.322	1.513	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cccc(F)c2C(=O)O)o1	1610208020	ZTWRLKUCYGREOU-UHFFFAOYSA-N	322.248	1.660	50	20	DDGD	
O=C(CCC1CCCCC1)NNC(=O)NCC1(C(=O)O)CC1	1610654695	MVRMNQGOAHEEPQ-UHFFFAOYSA-N	311.382	1.542	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)ccc1Cl	1549322067	XCOVVPKJIDSJDK-UKRRQHHQSA-N	321.808	1.962	50	20	DDGD	
Cc1cc(C(=O)NN=C[C@H]2CCCO[C@@H]2c2nccn2C)n[nH]1	1552448641	GEPOFEDXURANST-YPMHNXCESA-N	316.365	1.335	50	20	DDGD	
Nc1cccc(CNC(=O)NNc2ccc3c(=O)[nH]ccc3c2)c1	1580455830	LAZYSGXVALJTCQ-UHFFFAOYSA-N	323.356	1.937	50	20	DDGD	
C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846389268	WEUZALFXDKREOC-SSDOTTSWSA-N	311.234	1.312	50	20	DDGD	
C[C@H](CC(=O)O)NS(=O)(=O)c1ccc(CCCl)cc1	1599889085	SNGIIFOSYJHMAW-SECBINFHSA-N	305.783	1.609	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)nc1	1595221064	VINOQFMXASSSDR-UHFFFAOYSA-N	319.704	1.508	50	20	DDGD	
COC[C@@]1(C(=O)NNc2cccc(C(=O)O)c2C)CCOC1	1599186757	ONBDQXMUFYMYEG-HNNXBMFYSA-N	308.334	1.189	50	20	DDGD	
COc1cccc(NNC(=O)CCc2ccccc2C(=O)O)n1	1599679738	FLOCPZGEUWSKIN-UHFFFAOYSA-N	315.329	1.864	50	20	DDGD	
CSSCCNC(=O)N1CC[C@]2(CC(C(=O)O)=NO2)C1	1599804104	GXMITLDQZWFCSW-NSHDSACASA-N	319.408	1.013	50	20	DDGD	
Cc1nnc(NNC(=O)Nc2cccc(CCC(=O)O)c2)n1C	1594492821	MJNSTQWMFQYDLB-UHFFFAOYSA-N	318.337	1.289	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccc(C(=O)O)c(OC)c1	1776116021	PSAHTPCCMVSIPN-XFFZJAGNSA-N	305.286	1.490	50	20	DDGD	
O=C(O)CCc1ccc(C=NNC(=O)CNc2ccccc2)o1	1776016209	HBXYNKWJVOBTNO-UHFFFAOYSA-N	315.329	1.859	50	20	DDGD	
COc1ccc(OCCC(=O)NNC(=O)c2ccccc2)cc1	15435231	IQACSEMUIFSCAD-UHFFFAOYSA-N	314.341	1.925	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(C(=O)NC(C)C)cc1	162813913	GZKYBFVVCYILNP-UHFFFAOYSA-N	320.418	1.120	50	20	DDGD	
COC(=O)c1[nH]c(C)c(C(=O)NNc2nc(C)cc(C)n2)c1C	151574616	QRNNGQHXCRWUQF-UHFFFAOYSA-N	317.349	1.582	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(-c2cccs2)n[nH]1	153600032	VQNDHJWFNYTQPD-NSHDSACASA-N	320.374	1.468	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H]1CCN(c2ccc(C)cc2)C1=O	159682621	AETHDWJAUISZID-HVCHUGMYSA-N	313.357	1.661	50	20	DDGD	
C[C@H](O)[C@@H]1CCN(S(=O)(=O)c2ccc(CCl)cc2)C1	311384700	OJCKLNNJJLLHGQ-CMPLNLGQSA-N	303.811	1.817	50	20	DDGD	
C[C@@H]1OCC[C@@]1(O)CNS(=O)(=O)c1ccc(CCl)cc1	312843578	LCRWQXXVQIAHOV-GXFFZTMASA-N	319.810	1.244	50	20	DDGD	
O=S(=O)(NCCN1CC=CC1)c1ccc(CCCl)cc1	392232855	SWPYUOPZGRJAJP-UHFFFAOYSA-N	314.838	1.618	50	20	DDGD	
Cc1noc(C)c1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	8029609	VZEHOAMOUJFQNA-JTQLQIEISA-N	321.308	1.659	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cc2ccccc2[nH]c1=O	10890369	SBZFCPBTPYFZHT-UHFFFAOYSA-N	321.336	1.911	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C2(C#N)CCCCC2)c1O	57434475	IYTFGASHMQIVMR-UHFFFAOYSA-N	317.345	1.636	50	20	DDGD	
CC[C@@H]1CN(C(=O)NNC(=O)c2ccc(C)s2)C[C@@H](C)O1	111478695	SDMHRFDNMIHXLS-MWLCHTKSSA-N	311.407	1.910	50	20	DDGD	
CCCN(C)C(=O)NNC(=O)c1cc(Br)c[nH]1	103506392	OZEWCEGEOJHFEP-UHFFFAOYSA-N	303.160	1.473	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cnn(-c2ccccc2)c1C	110758828	LZJNQPJQJNKRAE-UHFFFAOYSA-N	324.344	1.287	50	20	DDGD	
C[C@@H]1Cc2ccccc2N1CCNC(=O)NNc1ncccn1	68638005	ZJVQBFLGNYXCIP-GFCCVEGCSA-N	312.377	1.554	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccc(Cl)nc1)N1[C@H](C)CC[C@H]1C	101645317	OTVHDMBYTSRFBP-MXWKQRLJSA-N	324.812	1.757	50	20	DDGD	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)NC1CCCC1	65918939	RIBPIPWVBKCAGE-LLVKDONJSA-N	316.361	1.599	50	20	DDGD	
CC[C@@H](C)[C@@H](C(=O)NNC(=O)N1CCOCC1)c1ccccc1	172284089	ZIWVVNGKVMBWQC-UKRRQHHQSA-N	319.405	1.889	50	20	DDGD	
CC(C)c1noc(CCC(=O)NNc2nccnc2Cl)n1	114897162	JFADLAFHFDSJLP-UHFFFAOYSA-N	310.745	1.712	50	20	DDGD	
Cn1ccc(NC(=O)NNC(=O)Cc2ccc3ccccc3c2)n1	184699816	BYMZKQDZSWCGPD-UHFFFAOYSA-N	323.356	1.969	50	20	DDGD	
N#Cc1cccc(NNC(=O)C(=O)Nc2ccnn2CC2CC2)c1	119429220	NUEUBXOXIAHLBN-UHFFFAOYSA-N	324.344	1.247	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cc(F)ccc2C)nc1	124282340	BWTDXOMCGNTDML-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
CS(=O)(=O)CC1(CC(=O)NNc2ccc(F)cc2)CC1	176497949	NKBQWLQMFAYATK-UHFFFAOYSA-N	300.355	1.484	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)CSCc1cscn1	129943682	KETNUOHQWZKIBQ-UHFFFAOYSA-N	301.437	1.960	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2oc(C)cc2C)cc1	175029287	JWJCPJUUFOXKSQ-UHFFFAOYSA-N	317.345	1.778	50	20	DDGD	
COCCn1cc(NC(=O)NNc2ccncc2)ccc1=O	121859084	ZDFVRKBZJGVLCL-UHFFFAOYSA-N	303.322	1.038	50	20	DDGD	
CN(C)C(=O)c1ccc(CNC(=O)NNC(=O)C(C)(C)C)cc1	79095466	DYMQJGNEGQTLFW-UHFFFAOYSA-N	320.393	1.265	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ccc(C(F)(F)F)nn1)N(C)C	124239834	KIJMHGUMVTZFHC-JTQLQIEISA-N	305.304	1.525	50	20	DDGD	
CC(C)[C@]1(C)C[C@H]1C(=O)NNC(=O)Cc1cn2ccccc2n1	186658044	GTLHDKQAEGUXRN-GUYCJALGSA-N	314.389	1.706	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)Cc2ccoc2)cc1	120933467	RVSMQHICYCNFLU-UHFFFAOYSA-N	318.402	1.906	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1F	79308451	UPYWOQFDSANNGW-UHFFFAOYSA-N	306.253	1.147	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2[C@@H](C)CC[C@@H]2C)n1	122939615	SLNRSUNTNZTPDN-QWRGUYRKSA-N	310.423	1.014	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C(=O)Nc1ccccc1Cl	123378868	RXAWCSSQUFLXJM-UHFFFAOYSA-N	320.736	1.078	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)CCC(C)C	186067438	SFLCRDNDXLSEHW-UHFFFAOYSA-N	314.407	1.978	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)n1	128735669	NUAXBANAGDDVCU-NEPJUHHUSA-N	306.366	1.674	50	20	DDGD	
C[C@@H](NC(=O)c1ccco1)C(=O)NNc1nnc(C2CC2)s1	184515331	VEVHESIOURQKEX-SSDOTTSWSA-N	321.362	1.270	50	20	DDGD	
CC(C)Cn1ccc2cc(NC(=O)NNC(=O)CO)ccc21	184750380	KDYSDIKZHPXPTI-UHFFFAOYSA-N	304.350	1.442	50	20	DDGD	
C[C@H](NC(=O)NNc1ncccn1)[C@H]1CCCN(C2CCC2)C1	182831352	RBGVKBPAGCQHOI-STQMWFEESA-N	318.425	1.756	50	20	DDGD	
O=C(CO)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12	180945677	AXKMEKAKCQJORW-UHFFFAOYSA-N	322.324	1.050	50	20	DDGD	
O=C(NCCCN1CCOCC1)NNc1ccccc1Cl	79066285	ZKFQGYRMZVIKEB-UHFFFAOYSA-N	312.801	1.688	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cn(Cc2cccs2)nn1	79583830	CAMUGEUXBBKPSL-UHFFFAOYSA-N	307.379	1.195	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1cc(C)ccc1F	49124625	YZWNEFHLVHGOFR-UHFFFAOYSA-N	303.359	1.427	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@@H](C)Cn1ccnc1	47028295	IMKXKFXCYCUJRW-LBPRGKRZSA-N	316.365	1.616	50	20	DDGD	
O=C(COCC1CC1)NNC(=O)c1ccc(Cl)cc1F	81029804	MYKYVAYXBROKEZ-UHFFFAOYSA-N	300.717	1.667	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NC[C@@H]1CCCCO1	139648730	GFAZTXOMLIASJI-ZDUSSCGKSA-N	309.341	1.268	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@@H]1CCCc2sccc21	136890547	ABCRDWXUKZHNCL-LLVKDONJSA-N	303.387	1.968	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@@H]1OCCc2ccccc21	191887131	YDBQSEOMVFNLCM-CQSZACIVSA-N	309.329	1.486	50	20	DDGD	
CC(C)(C)c1noc(CCCC(=O)NNc2ncccn2)n1	42041657	OHFRPZZCTYRBPG-UHFFFAOYSA-N	304.354	1.623	50	20	DDGD	
CCOCc1cc(/C=C(\C#N)C(=O)NCCOC)ccc1OC	195089019	XPKASFOIHOGAAA-NTEUORMPSA-N	318.373	1.901	50	20	DDGD	
Cc1[nH]c2c(C(=O)NNC(=O)N3CCOCC3)cccc2c1C	194897780	GWZISZRYCKYAGE-UHFFFAOYSA-N	316.361	1.471	50	20	DDGD	
O=C(Cc1ccccc1)NCC(=O)NNC(=O)CC1CCCC1	195215620	IQFWVZDIGUALSS-UHFFFAOYSA-N	317.389	1.073	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C[C@H]2CCCOC2)c1	194997070	DKRUWIFJYAUAHI-CYBMUJFWSA-N	306.362	1.338	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2csc(C(C)(C)C)n2)cn1	265323170	MDXXQOGKCTWGJB-UHFFFAOYSA-N	307.379	1.249	50	20	DDGD	
CNC(=O)NNC(=O)CCc1ccc(OC(F)(F)F)cc1	263861807	DZJQJUCEJDUEHG-UHFFFAOYSA-N	305.256	1.478	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H](C)CC(=O)OC)c1	268353479	RRDTXPXHQIFOMP-JTQLQIEISA-N	319.386	1.185	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@@H]1CCCN1C1CCCC1	269736011	VXRWSERYHYGYOK-AWEZNQCLSA-N	304.394	1.193	50	20	DDGD	
C[C@H](CN1CCOCC1)NC(=O)NNc1ccc(Cl)nc1	266692915	URSKOZLHOJZCMX-SNVBAGLBSA-N	313.789	1.082	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1cc(OC)c(OC)c(OC)c1	269593230	SWWTZNZGVHKYCH-ZRDIBKRKSA-N	320.345	1.773	50	20	DDGD	
Cc1c(NNC(=O)C(C)(C)S(C)(=O)=O)cccc1[N+](=O)[O-]	269609338	NVERRTYSHGVWPA-UHFFFAOYSA-N	315.351	1.170	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(C(=O)NC(C)C)cc1	272584168	QWODEXZQQATRPM-UHFFFAOYSA-N	306.366	1.131	50	20	DDGD	
COc1ccc(NNC(=O)NCCc2csc(C)n2)nc1	275916290	FOBWFBVVHJKBMO-UHFFFAOYSA-N	307.379	1.724	50	20	DDGD	
CC1(C)CCC[C@@H]1C(=O)NNC(=O)COc1ccccc1O	274653023	GSAYECPOFGONFQ-LLVKDONJSA-N	306.362	1.745	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CC[C@]2(CCOC2)C1	363988111	PFKIBBCYIUMYAL-INIZCTEOSA-N	319.361	1.162	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H](C)[C@@H]1CCCCO1	272030466	ZJMYZZYTQRVWEM-YPMHNXCESA-N	321.377	1.597	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)n1	363575146	NTGSZQJMHDPACP-XQQFMLRXSA-N	319.409	1.923	50	20	DDGD	
COC[C@@H]1CN(C(=O)NNC(=O)c2ccccc2C)C[C@@H](C)O1	275867808	JOYVYHRCLMPWFL-OLZOCXBDSA-N	321.377	1.085	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1cnn(-c2ccccc2)n1	273454397	ZOCWMSSAAZOUPU-UHFFFAOYSA-N	316.365	1.856	50	20	DDGD	
CC1(C)CC[C@H]1NC(=O)NNC(=O)COc1ccc(F)cc1	288001401	LIOHTPUCWSUQNE-GFCCVEGCSA-N	309.341	1.724	50	20	DDGD	
Cc1nnc(COCC(=O)NNc2ccc(Cl)nc2)s1	287959650	IPHMHTGBAMNAML-UHFFFAOYSA-N	313.770	1.555	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)[C@@H](C)OCC)cc1OC	298490422	HLJZVAPRIQEVRT-LLVKDONJSA-N	324.377	1.670	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](C)c1ccccc1SC	800735806	OFQQQVXAODHUKL-SNVBAGLBSA-N	311.407	1.836	50	20	DDGD	
C[C@H](Cc1ccc(O)cc1)NC(=O)NNC(=O)[C@@H]1CCCCO1	297469607	UPLYMJGVSQQHAY-RISCZKNCSA-N	321.377	1.223	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=O)c2cccc(N(C)C)c2)o1	292431733	LSWAMEBYHMIFOU-UHFFFAOYSA-N	316.361	1.686	50	20	DDGD	
C[C@H]1[C@H](C)CCCN1CC(=O)NNC(=O)c1ccc(F)cc1	299261420	LKNHZPFATLKOHS-NEPJUHHUSA-N	307.369	1.707	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1	298701666	RMRRPNVZFKYQKR-UHFFFAOYSA-N	304.306	1.883	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)cc(OC)c1C	295358857	JDVGQAGQHGBPQZ-LBPRGKRZSA-N	322.361	1.342	50	20	DDGD	
O=C(NNc1ccncn1)[C@H]1CCCN1Cc1ccc(F)cc1	295537715	RXLOXJJRMIXFCP-CQSZACIVSA-N	315.352	1.723	50	20	DDGD	
CCO[C@@H]1C[C@](O)(CNC(=O)NCCSSC)C1(C)C	807227718	DHRZEXPFZPHVNK-MFKMUULPSA-N	322.496	1.863	50	20	DDGD	
CC1=C(C(=O)NNc2cccc(F)n2)[C@H](C)n2ncnc2N1C	804768838	XATOJWGVBSRJGK-VIFPVBQESA-N	317.328	1.240	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CCN/C(O)=C1\N=CC=CC1=O	808245956	KIZYXBZWEXGYOS-VAWYXSNFSA-N	320.176	1.165	50	20	DDGD	
C[C@@H](C(=O)NNc1ncncc1F)c1ccc([N+](=O)[O-])cc1F	817080688	YHLHITQDACFVRL-SSDOTTSWSA-N	323.259	1.910	50	20	DDGD	
CC(=NNC(=O)c1nnc(O)c2ccccc12)c1ccc(N)nc1	814740641	ZIOJCZVENNGLMR-UHFFFAOYSA-N	322.328	1.467	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnnc(-c2ccccc2)c1	810549780	PQDNMHWCBIWAHP-UHFFFAOYSA-N	313.386	1.439	50	20	DDGD	
C[C@@H](Sc1ccccc1C(=O)NCCCSC#N)C(N)=O	819699123	UACRPEMUUZTWIP-SNVBAGLBSA-N	323.443	1.987	50	20	DDGD	
COC[C@H](Cc1ccccc1)NC(=O)NNc1ncncc1F	814308806	SMCCKPSKMLTICI-LBPRGKRZSA-N	319.340	1.500	50	20	DDGD	
C[C@H]1C(=NNC(=O)C(=O)N2CCCC2)CC[C@H](C(=O)O)C1(C)C	814824921	PZZDRDLGCJZKSS-WDEREUQCSA-N	323.393	1.238	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)c1cc(Cl)ccc1O	811637060	STRWUYVUGWAZGN-SNVBAGLBSA-N	309.753	1.820	50	20	DDGD	
Cc1cccc(CS(=O)(=O)CCC(=O)NN(C)C2CC2)c1	819653146	IYHZJNKSFLZDKY-UHFFFAOYSA-N	310.419	1.425	50	20	DDGD	
COc1ccc(NC(=O)NN=Cc2ccc(O)c(O)c2O)cc1	814997480	QIQQDTGXYIAVFV-UHFFFAOYSA-N	317.301	1.968	50	20	DDGD	
Cc1cccc(C(=O)NN=C2CCCc3nc(N)sc32)n1	814921368	JFLXXHWKTQHQON-UHFFFAOYSA-N	301.375	1.899	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCCCC1=NNC(=O)C1	819869382	NAXLXHQVSKUQRY-JTQLQIEISA-N	318.215	1.568	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C(C)(F)F	814721290	BUHPBDWLQHDKKN-UHFFFAOYSA-N	302.277	1.267	50	20	DDGD	
Cc1cc(Cl)cc(C=NNC(=O)Cc2cc(O)nc(O)n2)c1	814860342	QAVLMQDWQADYJX-UHFFFAOYSA-N	320.736	1.542	50	20	DDGD	
O=C(CCCn1c(=O)oc2ccccc21)NNC(=O)CC1CC1	819140929	RLVUJZPWMPHOQU-UHFFFAOYSA-N	317.345	1.322	50	20	DDGD	
COc1cc(C=NNC(=O)c2cccn2C)ccc1OCC#N	725846358	ABWCQXCBUSDGGW-UHFFFAOYSA-N	312.329	1.700	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccoc1Br	817078825	WNLUKPTUSUKQRB-UHFFFAOYSA-N	301.075	1.728	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)Cc2csc(C)n2)n1C	814739814	DRSWYJPHYSOCIU-UHFFFAOYSA-N	320.374	1.269	50	20	DDGD	
CN(NC(=O)c1cn2ccc(Br)cc2n1)C1CC1	819652256	INKDKSYYYRLUJQ-UHFFFAOYSA-N	309.167	1.836	50	20	DDGD	
CN(NC(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1)C1CC1	819649932	NUFHCGPDFDEKOL-GFCCVEGCSA-N	302.296	1.734	50	20	DDGD	
O=C1CCCCC[C@H](C(=O)NNC(=O)Cc2ccncc2)C1	813470530	LKGMERRMVKGXSG-ZDUSSCGKSA-N	303.362	1.311	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)Nc2ccc3c(c2)OCO3)nn1	814992970	MWOQGRNLAOQTSP-UHFFFAOYSA-N	316.321	1.743	50	20	DDGD	
CC(C)N(CCNC(=O)/C(C#N)=C/c1cnn(C)c1)C(C)C	491044827	DDHBYXSHOZAWOQ-OVCLIPMQSA-N	303.410	1.562	50	20	DDGD	
CCN(CCO)NC(=O)c1c(OC)ccc(SC)c1OC	823873715	GLYUVNYOIHNKMM-UHFFFAOYSA-N	314.407	1.385	50	20	DDGD	
O=C(CCCC(=O)C1CC1)NNC(=O)c1cc(Cl)ccc1O	823974852	QOFBQZNTATWUGS-UHFFFAOYSA-N	324.764	1.956	50	20	DDGD	
COCCN(C)NC(=O)CN(CC1CC1)C(=O)OC(C)(C)C	495879356	ZTYWZZYPFRIACQ-UHFFFAOYSA-N	315.414	1.243	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)N1CCOCC1)c1cccs1	726484663	CHEBWJWOJFVNNI-SECBINFHSA-N	314.436	1.230	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc2c(c1)nc(O)n2C1CC1	822244853	OTNGFEQJVKDJRK-UHFFFAOYSA-N	316.361	1.884	50	20	DDGD	
Cn1nnc2cc(C(=O)NNC(=O)c3ccccc3F)ccc21	729167829	RYSDMGBLDLGSKL-UHFFFAOYSA-N	313.292	1.182	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)nc1	496780843	ILAKJMFGOJKICF-JTQLQIEISA-N	324.381	1.789	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	823940464	YEJZKUHYPDNNSK-QFOLPQNPSA-N	305.216	1.284	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12	491321469	XESQMTUACPEKCF-UHFFFAOYSA-N	320.261	1.240	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)C[C@@H]1CCC(=O)N1C	822731627	KRXQNUQDHSEQRN-VIFPVBQESA-N	323.324	1.066	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)c1ccc(-c2nn[nH]n2)cn1	826446807	ZLIWMQFDWYOAPX-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
CNC(=O)[C@]1(C)CCN(C(=O)[C@@]2(C)C[C@H]2Br)C1	907939756	MCWSJJZHVPDBJR-FXAINCCUSA-N	303.200	1.145	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)c2ncccc12	820941769	DCAHIJIRCYPWBA-CQSZACIVSA-N	313.357	1.873	50	20	DDGD	
C=CCCNC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	820771318	KVLPSLGYAOYSOZ-UHFFFAOYSA-N	304.350	1.148	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2c[nH]nc2C)c(Cl)c1	732084106	LRWZSMJWLQFDPW-UHFFFAOYSA-N	308.725	1.455	50	20	DDGD	
COC(=O)NNC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C	490636529	SOHGASMZFHLPMZ-UHFFFAOYSA-N	316.317	1.059	50	20	DDGD	
CC1(CCNC(=O)NNC(=O)CNC(=O)OC(C)(C)C)CC1	492279072	UORWKTOYRDVWLX-UHFFFAOYSA-N	314.386	1.032	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N[C@@H](CO)CN1CCCC1	908206924	VFJGYGDIGDENFS-IHWMJMDHSA-N	317.364	1.306	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)NC[C@H]1CC1(C)C	732819701	ADLHDAMKKSSEPR-LLVKDONJSA-N	321.377	1.451	50	20	DDGD	
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NNC(=O)O)CC1	736802780	QODNRVUAJPSPQI-UHFFFAOYSA-N	322.321	1.744	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)Cc1cccc2ccccc12	732528541	OKDXJNZXBPOJIR-UHFFFAOYSA-N	318.398	1.919	50	20	DDGD	
COC(=O)c1cc(OC(=O)C2=COCCO2)ccc1[N+](=O)[O-]	732653348	PXKPWFQVHBECEO-UHFFFAOYSA-N	309.230	1.175	50	20	DDGD	
CC[C@H](C#N)Oc1cccc(CNC(=O)NNC(=O)C(C)C)c1	733804521	GDDLDBRNWUABMU-CYBMUJFWSA-N	318.377	1.854	50	20	DDGD	
CCCN(NC(=O)COC1CCOCC1)C(=O)OC(C)(C)C	496945762	BKSWTAFAACJHFP-UHFFFAOYSA-N	316.398	1.860	50	20	DDGD	
O=C(NCC1CCC(F)(F)CC1)NNC(=O)[C@@H]1CCCCO1	836444657	FIUWRZYXTYWSAQ-NSHDSACASA-N	319.352	1.711	50	20	DDGD	
CC(C)(CC(=O)O)CC(=O)NNC(=O)Cc1ccc(F)cc1	833454857	VZCWLXBTQJRADQ-UHFFFAOYSA-N	310.325	1.407	50	20	DDGD	
Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)c1cnn(C)c1	735412246	SNAUGYJYXUUJET-UHFFFAOYSA-N	322.372	1.987	50	20	DDGD	
COc1cc(CCNC(=O)NNc2ncccn2)ccc1O	734218853	MDCRDUNGRZCQKQ-UHFFFAOYSA-N	303.322	1.060	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](O)CCSC)c(F)c1	837207597	QIGLZMKUSXLQMF-LLVKDONJSA-N	316.354	1.169	50	20	DDGD	
C[C@@H](CCCc1cccnc1)NC(=O)NNC(=O)C1CCC1	838750265	YXVNHPRDZVDPFM-LBPRGKRZSA-N	304.394	1.923	50	20	DDGD	
C[C@H](C(=O)O)n1cccc1C=NNC(=O)c1ccc(O)cc1	833405083	CAQFAVKEIPZKBM-SNVBAGLBSA-N	301.302	1.603	50	20	DDGD	
COC(=O)CSCCNC(=O)[C@]1(C)C[C@@H]1Br	906582840	QOURBZJLBMKXHV-OIBJUYFYSA-N	310.213	1.182	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1	734222533	JYCCFPOKYLQYIE-VXGBXAGGSA-N	312.414	1.010	50	20	DDGD	
Cc1cccc([C@@H](CC(=O)NNc2cccnn2)NC(N)=O)c1	736698143	BFDWFVNZWGKBDH-GFCCVEGCSA-N	314.349	1.028	50	20	DDGD	
Cn1cccc1C=NNC(=O)NCCNC(=O)OC(C)(C)C	734302851	RTWITJIHENWLPK-UHFFFAOYSA-N	309.370	1.183	50	20	DDGD	
O=C(c1c[nH]cc1-c1ccc(F)cc1)N1CC[C@@H](B(O)O)C1	585071616	XBLLOXUPEHVRGS-LLVKDONJSA-N	302.114	1.510	50	20	DDGD	
CCC(=O)N1CCC[C@H](C(=O)NNc2ncc(F)cc2F)C1	837206484	LLKZWPFVZPKWDZ-VIFPVBQESA-N	312.320	1.452	50	20	DDGD	
CC(C)(C)OC1CC(CCNC(=O)c2cccc(B(O)O)c2)C1	584984321	ZHNJAAATUPVHBS-UHFFFAOYSA-N	319.210	1.080	50	20	DDGD	
O=C(NCCOCC1CCCC1)NNc1nc2ccccn2n1	838730661	UPXMEFSEVUHZBC-UHFFFAOYSA-N	318.381	1.562	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccccc2OC)cc1F	731492504	KWGKFJBPTSPSOC-UHFFFAOYSA-N	318.304	1.918	50	20	DDGD	
COCC1(C(=O)NNc2ccc(C(=O)OC)cc2F)CCC1	837207339	UNIBEDCOJKPNJI-UHFFFAOYSA-N	310.325	1.872	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccnc(Oc2ccccc2)c1	733359516	JCSLPQQQAMODAP-UHFFFAOYSA-N	314.345	1.197	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(-c3ccco3)[nH]n2)n1	914763622	YTNHNEQAXHDCFB-UHFFFAOYSA-N	300.278	1.225	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccccc1N(C)C	831184757	UQHPHCGOMNPVCY-MNOVXSKESA-N	306.366	1.330	50	20	DDGD	
COc1ccc2c(c1)C[C@H](C(=O)NNC(=O)C1CCC1)CO2	732140632	GOXKVHPKOIKSAF-LBPRGKRZSA-N	304.346	1.194	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)C)cc(C)c1OCC(=O)O	832864494	JJOQKHJRXRAEIB-UHFFFAOYSA-N	308.334	1.184	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NCCC(C)(C)O)ccc1F	838559799	OCUWGBQWIVWBCR-UHFFFAOYSA-N	313.329	1.399	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(OCc2cccnc2)cc1	910172801	GFOHQZDJKCBOKN-ZDUSSCGKSA-N	315.373	1.618	50	20	DDGD	
Cn1cc2c(n1)CCC[C@H]2C(=O)NNc1ncc(F)cc1F	837209240	XRTIQPLKMOHQFO-SECBINFHSA-N	307.304	1.657	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2c[nH]c3ncccc23)c1	919693629	FYGJJDGITSPIPF-UHFFFAOYSA-N	323.356	1.704	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@H](c2ccccc2)N(C)C)n1	740112884	SRAGJMPVJJNXFM-AWEZNQCLSA-N	314.393	1.289	50	20	DDGD	
COCC(COC)NC(=O)NNc1cc(C(F)(F)F)ccn1	836609926	CWNDTHPLUPRTLB-UHFFFAOYSA-N	322.287	1.388	50	20	DDGD	
NC(=O)c1cc(NC(=O)NNC(=O)c2ccc[nH]2)ccc1Cl	916384128	PEGQFHUGWBYHCF-UHFFFAOYSA-N	321.724	1.234	50	20	DDGD	
CNc1cc(Cl)ccc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	848233831	BOQFGZOVCZKCMS-PSASIEDQSA-N	311.769	1.568	50	20	DDGD	
CC(C)(C)OC(=O)c1ccc(C(=O)NNC(=O)C2CC2)nc1	843752464	RSYVDYSZCOLFGD-UHFFFAOYSA-N	305.334	1.208	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C[C@@]1(C)CC1(Cl)Cl	843658912	HDPMKBXSGDWZPR-RNSXUZJQSA-N	309.193	1.533	50	20	DDGD	
O=C(NCC[C@@H]1C[C@H]2CC[C@H]1C2)NNC(=O)c1ncccn1	841576629	CLVQESJDAPPKJT-SDDRHHMPSA-N	303.366	1.247	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)/C=C/[C@H]2CCOC2)cc1	846377591	XGLBLHWHAVCQNC-LVDDQXARSA-N	304.346	1.438	50	20	DDGD	
CCc1ccc(OCC(=O)NNc2ccnc(N(C)C)n2)cc1	740112710	OUNWJIADWRZSNL-UHFFFAOYSA-N	315.377	1.627	50	20	DDGD	
Cc1ccc([C@H](C)C(=O)NNC(=O)CNc2ccccc2)o1	743292573	ANRMFDLSOVMGHQ-LBPRGKRZSA-N	301.346	1.951	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@H](N)c2ccccc2)n1	841949798	QHXDNMYFHKNJMU-ZDUSSCGKSA-N	300.366	1.420	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1cc(C(F)(F)F)ccc1F	841103321	FWNFLFUGDFXWGB-UHFFFAOYSA-N	322.262	1.736	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)NC[C@H](C)N)c1	841983998	HIHTVCVHLSPMLQ-LBPRGKRZSA-N	322.409	1.175	50	20	DDGD	
COc1cccc([C@H](C)C(=O)NNc2nnc(C)c(O)n2)c1	919744209	FTMUEJUZEZAPIC-QMMMGPOBSA-N	303.322	1.141	50	20	DDGD	
N#Cc1ccc2c(c1)CCCC2=NNC(=O)CN1CCCC1=O	743430476	JJBTYIZDKYOIJX-UHFFFAOYSA-N	310.357	1.337	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NNC(=O)[C@@H]2C[C@H]2C2CCC2)c1	846638110	GKCOIKVPOZBRSO-UONOGXRCSA-N	316.361	1.237	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H](C[C@H]1CCCO1)C(F)(F)F	845302553	VHRUAHALVJOWKB-BDAKNGLRSA-N	311.304	1.474	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NNC(=O)c1ncccn1	841445509	LLZXHMGOILPWTP-ZETCQYMHSA-N	315.171	1.047	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)N1[C@H]2CC[C@H]1COC2	841577193	MHLOOBPXYBCSRO-GJZGRUSLSA-N	317.389	1.613	50	20	DDGD	
O=C(CCc1nc[nH]n1)NNc1cccc(Br)c1	748033345	QCZXHABDCVJCQW-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C(C)(C)O)[nH]c2c(Cl)cccc12	840435067	XIOOUSJDXVIOMA-UHFFFAOYSA-N	309.753	1.662	50	20	DDGD	
CCCNCCNC(=O)NNc1ccc(C(=O)OC)c(F)c1	841961546	QSSNRNMTBPEWIN-UHFFFAOYSA-N	312.345	1.238	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc(OCc2ccccc2)ccn1	742595228	IYOCSNHKAQFISR-UHFFFAOYSA-N	314.345	1.577	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=C1CCN(Cc2ccccc2)C1	842558011	QXFOVMQRDCGIEB-CJNGLKHVSA-N	301.390	1.790	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C=NNC(=O)NCCCOC)c1C	920830004	OZEZHUUUCVGRQD-UHFFFAOYSA-N	324.381	1.478	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@H](C)CCCCN)c1	841996785	UNMHWWRQLAEMGC-CYBMUJFWSA-N	322.409	1.222	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc(F)c(F)c(F)c1F	920859656	YKRATXIAZUQQIP-UHFFFAOYSA-N	305.231	1.597	50	20	DDGD	
O=C(NCCO[C@H]1CCOC1)NNc1ncnc2ccsc12	927517148	KWRWYRRUHAKPAW-VIFPVBQESA-N	323.378	1.123	50	20	DDGD	
CC[C@@H](C)n1nc(NC(=O)NNC(=O)c2cnccn2)cc1C	757910415	LFQALFPAXBVAAM-SECBINFHSA-N	317.353	1.419	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=S)N[C@H](C)C2CC2)c(F)c1	855100266	YCZLEAXCEJVXDU-MRVPVSSYSA-N	323.393	1.936	50	20	DDGD	
CC(C)n1ccnc1C=NNC(=O)COc1ccc(C#N)cc1	853265446	UDQBZVBCXGWHIO-UHFFFAOYSA-N	311.345	1.865	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)N[C@@H]1CCCCC12CCCC2	858479499	SUHDNNYOIYBNAV-GFCCVEGCSA-N	305.382	1.857	50	20	DDGD	
Cc1noc(CCC(=O)NNc2cc(C(F)(F)F)ccn2)n1	857513172	AWHQOJCFGGTPCN-UHFFFAOYSA-N	315.255	1.868	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)c2ccccc2C)CCC1	751557784	NQHOKFILQMVSMA-UHFFFAOYSA-N	304.346	1.489	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC12CCC2)c1ccc2c(c1)OCCO2	759687641	CRUBJHAKUYNXJV-LLVKDONJSA-N	302.330	1.409	50	20	DDGD	
N#CCSc1ccccc1C(=O)NNC(=O)Cc1cc[nH]n1	755279582	PCBPXFWERHHQTH-UHFFFAOYSA-N	315.358	1.029	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)C2CC2)C1	856096031	ZOESRISRDACBBP-LLVKDONJSA-N	322.796	1.827	50	20	DDGD	
CCCn1nc(C(=O)NN=Cc2cc[nH]n2)c2ccccc2c1=O	755545367	KDMMMQOHEPRQKU-UHFFFAOYSA-N	324.344	1.294	50	20	DDGD	
COc1cccc2c1OCC(C(=O)NNC(=O)c1ccc[nH]1)=C2	750718414	WSVWFBXFFPMASF-UHFFFAOYSA-N	313.313	1.260	50	20	DDGD	
C[C@@H]1[C@H](CO)CCCN1C(=O)NC[C@]1(C)C[C@@H]1Br	856893933	RUPZMFDAVDEKKN-BLFANLJRSA-N	319.243	1.962	50	20	DDGD	
CC(C)n1c(O)nc2ccc(C(=O)NNC(=O)CC3CC3)cc21	854667540	MHZZMDNKXVTIEC-UHFFFAOYSA-N	316.361	1.884	50	20	DDGD	
COc1cc(C=NNC(=O)c2cc[nH]n2)ccc1OC(C)C	853392267	IGBJSZLSJNAQTP-UHFFFAOYSA-N	302.334	1.969	50	20	DDGD	
CO[C@H](C=NNC(=O)c1nnc(O)c2ccccc12)C1CC1	853272488	WTIQPHLYBYMFPD-GFCCVEGCSA-N	300.318	1.476	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cc(C(F)F)n(C)n2)cc1	929290096	MGDBNRPRWLZOKE-UHFFFAOYSA-N	322.315	1.995	50	20	DDGD	
CCN(CC)C[C@@H](C)NC(=O)NNC(=O)c1cc(C)cs1	858278901	LCBOZIQJSJTDJT-LLVKDONJSA-N	312.439	1.731	50	20	DDGD	
C[C@]1(CN2C(=O)N[C@H](CC3CC3)C2=O)C[C@@H]1Br	857227461	NWJMYZIGSHLGIU-VDDIYKPWSA-N	301.184	1.880	50	20	DDGD	
Cn1c(CC(=O)NCCCSC#N)nnc1-c1ccccc1	854360711	XOSYNGRKIYJFQL-UHFFFAOYSA-N	315.402	1.745	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2CCN(C)[C@@H]2C)ccc1C	857263814	CRRJBVXCLYIYNB-DGCLKSJQSA-N	305.378	1.565	50	20	DDGD	
N#CSCCCNC(=O)c1cc(O)ncc1Br	935843451	UNTDKXPLOLKTFL-UHFFFAOYSA-N	316.180	1.884	50	20	DDGD	
CC(C)C(=O)NC1CCN(CCI)CC1	759339070	QRPLQCABWNOQIT-UHFFFAOYSA-N	324.206	1.658	50	20	DDGD	
Cn1nnc2cc(C(=O)NNc3ccc(Cl)nc3)cnc21	758301055	SZRIKRFVQDIESN-UHFFFAOYSA-N	303.713	1.169	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@@H]1CCCN(CC2CC2)C1	852086322	PXVDPUTULPROSH-ZDUSSCGKSA-N	310.442	1.485	50	20	DDGD	
CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)NNC(=O)c1cn[nH]c1	858342388	OHJNKLAPAQWCKC-JLLWLGSASA-N	323.397	1.193	50	20	DDGD	
COc1ccc(C)cc1C=NNC(=O)CNC(=O)c1ccco1	750936637	LHZVSXHYPMKFGA-UHFFFAOYSA-N	315.329	1.477	50	20	DDGD	
N#C[C@]1(C(=O)NNC(=O)c2cccc(F)n2)CC12CCCC2	856427037	MUMWSGDNFANQNT-HNNXBMFYSA-N	302.309	1.456	50	20	DDGD	
CCC(CC)[C@H](C)C(=O)NN(C)C(=S)NCCCOC	854283159	KBOQOGNBCYJJPI-NSHDSACASA-N	303.472	1.933	50	20	DDGD	
COCCOc1ccccc1NC(=O)NNC(=O)CC(C)C	756211494	APYGHXRRWAFKCP-UHFFFAOYSA-N	309.366	1.911	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cc1F	853387840	PQUUMLFDKXDMCF-HIFRSBDPSA-N	305.353	1.447	50	20	DDGD	
CON1CCC(NC(=O)NC[C@@]2(C)C[C@H]2Br)CC1	856866280	XGESFGZTRUNUJC-ZYHUDNBSSA-N	320.231	1.485	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)NCCc2cccs2)o1	753971491	SZWJLQYQMKWEEQ-UHFFFAOYSA-N	307.375	1.765	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n1	862525761	VHABIJLLQVDZGR-HNNXBMFYSA-N	324.384	1.882	50	20	DDGD	
C[C@H](NNC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1)C(F)(F)F	863920303	GXPBHBGENGQPSL-LURJTMIESA-N	316.239	1.215	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C2(c3ccccc3)CCC2)n[nH]1	869012747	CXBKSURPBFPWNW-UHFFFAOYSA-N	312.373	1.530	50	20	DDGD	
O=C(NNC(=O)C1CCC(C(F)(F)F)CC1)c1cn[nH]c1	862470241	LUATXJOSLWJFGK-UHFFFAOYSA-N	304.272	1.539	50	20	DDGD	
COCc1ccccc1/C=C(\C)C=NNC(=O)CS(C)(=O)=O	863186116	OWUKXDBNYAPKRU-NSFWBEFFSA-N	324.402	1.383	50	20	DDGD	
O=C(CCCc1ccccc1Cl)NNC(=O)[C@@H]1CCC(=O)N1	862462811	SVBWRIMGCUMIBG-LBPRGKRZSA-N	323.780	1.089	50	20	DDGD	
Cn1ncc2c1CCC[C@@H]2NS(=O)(=O)CC(C)(C)CCl	866476121	IELKAHTXCLIQMD-NSHDSACASA-N	319.858	1.982	50	20	DDGD	
CCc1cccc(C(=O)NNC(=O)C(=O)NC(CC)CC)c1O	769911564	QERHCZKSAPLBID-UHFFFAOYSA-N	321.377	1.020	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CCCC(=O)NC(C)C)c1	862475960	CTBVUOIDHCFPBN-UHFFFAOYSA-N	311.407	1.512	50	20	DDGD	
CN(NC(=O)c1cc(Br)c2nccn2c1)C1CC1	868962111	OCRGACWYYAUJBG-UHFFFAOYSA-N	309.167	1.836	50	20	DDGD	
C[C@@H](NNC(=O)c1cccc(Cn2cncn2)c1)C(F)(F)F	862321935	GGXXKBSZWLQXTE-SECBINFHSA-N	313.283	1.512	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNC(=O)C(C)C)cc1Cl	763832811	SHGRTXPSKOHIJT-UHFFFAOYSA-N	313.741	1.091	50	20	DDGD	
O=C(CCC1(O)CCC1)NNC(=O)c1cccc2cccnc12	865058682	OAMRXPNWAMAFBA-UHFFFAOYSA-N	313.357	1.691	50	20	DDGD	
CCN1CCOC[C@H]1C(=O)N(C)NC(=O)OCc1ccccc1	862288963	ADXJTBHOXZQUGG-AWEZNQCLSA-N	321.377	1.007	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)c2ccc(C)o2)c(C2CC2)n1	866435332	APGJNBINKWSLKP-UHFFFAOYSA-N	302.334	1.757	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccc(NC(C)=O)cc1	764598834	KNESRXVZGLLLOC-UHFFFAOYSA-N	316.321	1.592	50	20	DDGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1cncnc1	760865092	BJHNPXSQMGTNNV-UHFFFAOYSA-N	316.708	1.937	50	20	DDGD	
O=C(NN=CC[C@@H]1CCOC1)c1nnc(O)c2ccccc12	765559930	NBUOLQHWMKMSDT-SNVBAGLBSA-N	300.318	1.478	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCN2CC(F)F)cn1	862697822	XHYSBEKNYTZSNT-YQJFHSMKSA-N	323.347	1.173	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1	763441586	XSRBQMVDDYLKBA-UHFFFAOYSA-N	304.133	1.489	50	20	DDGD	
COC(=O)c1c[nH]c2cc(NCc3ccccc3B(O)O)ccc12	864044728	JMOBXGIMXSPUQM-UHFFFAOYSA-N	324.145	1.246	50	20	DDGD	
COc1cc(C=NN(C)C(N)=O)ccc1OCC(F)(F)F	767906734	DDYVQSBLIGXCQG-UHFFFAOYSA-N	305.256	1.981	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCCc1cccs1	1118186383	DYQMMOSGXVMNEQ-ZYHUDNBSSA-N	311.407	1.436	50	20	DDGD	
O=C(NNc1ccccc1)NC1CCN([C@@H]2CCC[C@H]2O)CC1	769157510	WHSFLOWHHWHHNP-HZPDHXFCSA-N	318.421	1.691	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc(F)c(C#N)c1Cl	872401071	FLKSONWGXUCEER-UHFFFAOYSA-N	313.716	1.464	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1c(Br)c(C)nn1C	879702499	NJNVATBTEWCTFD-UHFFFAOYSA-N	320.147	1.226	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccccc1CN1CCOCC1	878371148	SRXDWMDPLRVKNM-UHFFFAOYSA-N	322.365	1.254	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CCC[C@H](O)c1ccccc1	1118605779	SJGHOFCBUWWOAF-ZDUSSCGKSA-N	309.435	1.794	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)NC1(C(F)(F)F)CCC1	879381200	SZWWVUVDNGUQKY-UHFFFAOYSA-N	320.246	1.650	50	20	DDGD	
COCCCOCC(=O)NNC(=O)c1cc2c(s1)CCC2	775638476	DTCQHXWUDOHOJQ-UHFFFAOYSA-N	312.391	1.051	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2ccc([N+](=O)[O-])cc2F)n[nH]1	777881237	AECQIEIQXLBWKW-UHFFFAOYSA-N	305.269	1.458	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)CC[C@H]2CCCO2)cn1	874953987	MBRYRMIGPIDUGX-LLVKDONJSA-N	324.406	1.367	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)C(=O)N2CCCC2)cc1C	872346865	ASWLDNMEGBMVAW-UHFFFAOYSA-N	317.389	1.856	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(N2CCOCC2)cc1C	878213768	KJVUSBZVQYKHHB-UHFFFAOYSA-N	322.365	1.566	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)C1CC1)C(C)(C)c1ccccc1	776023003	DRJXVJLIFIMWKG-HNNXBMFYSA-N	317.433	1.890	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)n1	775770466	DDHIQPMWMHFTPB-YUSALJHKSA-N	323.397	1.479	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](SC)c1ccccc1	772143680	REXPJKMLAVPWNG-ZWNOBZJWSA-N	324.402	1.580	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccn(Cc2ccccn2)n1	770035326	LIHIWWLNCNDKFY-UHFFFAOYSA-N	316.365	1.525	50	20	DDGD	
CSc1cccc(C)c1NC(=O)C(=O)NNC(=O)C(C)C	770773160	DTSMFNNRRRCFOV-UHFFFAOYSA-N	309.391	1.459	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc2c(c1)OCCCO2	887139641	XIFAFGZOYPNPRK-UHFFFAOYSA-N	302.330	1.412	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNC(=O)CSc1ccc(C)cc1	779724148	FNEDVHGPSSDDLE-UHFFFAOYSA-N	324.402	1.576	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@@H]1CSc2ccccc2O1	887150572	OWWRYQXEXVTDQN-GFCCVEGCSA-N	318.398	1.881	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cnc2ccc(F)cc2c1	883066645	FQWMOPALOVGZDQ-UHFFFAOYSA-N	317.320	1.562	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cnn(CCC(C)C)c1C	887145855	UUSABFHUTOPXRO-UHFFFAOYSA-N	304.394	1.802	50	20	DDGD	
CCN(C)C(=O)CNC(=O)NNc1ccc(Cl)c(OC)c1	789214961	YHULBHBGLYCYTH-UHFFFAOYSA-N	314.773	1.453	50	20	DDGD	
C[C@@H]([C@H](C)C(=O)NNc1ccccc1[N+](=O)[O-])S(C)(=O)=O	788302268	XZGNOOSQKZSSHA-IUCAKERBSA-N	315.351	1.107	50	20	DDGD	
Cc1cccc(OCCCC(=O)NNC(=O)C2CCOCC2)c1	883059696	IERPZDFHTKDOAG-UHFFFAOYSA-N	320.389	1.728	50	20	DDGD	
COc1ccc(NNC(=O)NCCOc2ncccc2F)nc1	781009049	JFQGCLRYUHNHFI-UHFFFAOYSA-N	321.312	1.329	50	20	DDGD	
CC1(NC(=S)NNC(=O)c2cnn(-c3ccccc3)c2)CC1	789237579	IVDIKTYLRXPANT-UHFFFAOYSA-N	315.402	1.534	50	20	DDGD	
CC[C@@H]1C[C@H](CC(=O)NNc2ccnc(N(C)C)n2)CCO1	782118923	ZMARMGJDWAGPNZ-VXGBXAGGSA-N	307.398	1.581	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNc2ccnc(F)c2)nc1C	781359633	ZVGGZSAMCJJPDV-UHFFFAOYSA-N	318.308	1.858	50	20	DDGD	
COc1cccc(O)c1C(=O)NNC(=O)NC1CCCCC1	899940251	IPKROVPTDVZYHN-UHFFFAOYSA-N	307.350	1.678	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1ccccc1OCC(=O)OC	899369162	RMTPJDXEPWQWPO-WQLSENKSSA-N	309.343	1.538	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)c1cnc(Cl)cn1	787865854	XHUDUMCWSMQCKO-UHFFFAOYSA-N	322.777	1.755	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@H](c1ccncc1)C1CC1	899008596	NTINBRBSTVGYEC-KBPBESRZSA-N	318.377	1.432	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cccc(O)c2O)c1	790923533	VNJICSYYYWUQSL-UHFFFAOYSA-N	302.286	1.641	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=CCc1cccc(Cl)c1	794913838	BMUILFLOUREMCC-UHFFFAOYSA-N	320.736	1.428	50	20	DDGD	
Cc1cccc(C(=O)NN=C2CCCC[C@@H]2S(C)(=O)=O)n1	794572068	PFSZTRRIPFFIJY-ZDUSSCGKSA-N	309.391	1.463	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cnc(CC)s1	790064141	UPHSPNPLCPGASW-UHFFFAOYSA-N	315.395	1.256	50	20	DDGD	
COC(=O)c1occc1C=NNC(=O)CNc1ccccc1	794741607	BXEUMWVSQNMOAA-UHFFFAOYSA-N	301.302	1.628	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1cccc2c1CCO2	797126606	PUXJYDBEUUHTNG-UHFFFAOYSA-N	312.329	1.407	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cc(C)nc2ccccc12)N(C)C	799009287	SFEZDYAQTDZXIH-HNNXBMFYSA-N	314.389	1.644	50	20	DDGD	
COC(=O)COc1ccc(C(=O)NNc2ncccc2C)cc1	791221095	PTVYTQISXYLHNX-UHFFFAOYSA-N	315.329	1.699	50	20	DDGD	
COc1ccc(CC(=O)NNc2cc(F)cc(OC)c2)nc1	790001240	HEZXIYNBGSDDDV-UHFFFAOYSA-N	305.309	1.924	50	20	DDGD	
CSSCCNC(=O)N[C@@H](C)[C@H](C)N1CCOCC1	790731320	JSYWUFRRCJGUIF-QWRGUYRKSA-N	307.485	1.406	50	20	DDGD	
COc1ccnc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])c1	790580240	TYCSURVXRISIOP-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)CCCn2cccn2)nn1	1318597867	VJAKTDJTNLZTKM-UHFFFAOYSA-N	302.382	1.894	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CC[C@@H]2CC[C@H](C)O2)cc1	1318907880	SIYOQACXRRHZBI-FZMZJTMJSA-N	306.362	1.804	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NC/C=C\C2CC2)c1	1324695719	OLDXLHALKMYLKK-PLNGDYQASA-N	302.378	1.663	50	20	DDGD	
COc1cccc([C@H](OC)C(=O)NNC(=S)NC(C)C)c1	1327754151	GAPSHRAWJSIQFJ-LBPRGKRZSA-N	311.407	1.286	50	20	DDGD	
NCCCCNC(=O)NNC(=O)Cc1ccc2ccccc2c1	1325373108	VBOAESXAOWRJNQ-UHFFFAOYSA-N	314.389	1.452	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C(C)(C)c1cc(F)cc(C#N)c1	1325841734	NZBVBUNNHYRYLT-UHFFFAOYSA-N	322.409	1.879	50	20	DDGD	
CC(C)Oc1c(Cl)cccc1NC(=O)NNC(=O)CCO	1323927609	RZACDVKXZZIKGK-UHFFFAOYSA-N	315.757	1.662	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1ccn(-c2ccncc2)n1	1320950763	AWQLQFNYXBRADM-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1cc2c(cn1)OCCC2	1337591974	VGPVJFBOTKPMCM-UHFFFAOYSA-N	315.289	1.467	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)C[C@@H]1C=CS(=O)(=O)C1	1349643858	GKPKCIOYJKUSRK-VIFPVBQESA-N	314.338	1.226	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@H](c2ccccc2)C1)c1cn[nH]c1	1261792413	WUNJZVOZPKUAQU-ZDUSSCGKSA-N	313.361	1.644	50	20	DDGD	
O=C(NC[C@H]1CCCCCN1)NNC(=O)c1ccc(Cl)cc1	1357740983	SRRIZXGZSDHFLK-CYBMUJFWSA-N	324.812	1.816	50	20	DDGD	
Cc1cc(C(=O)NNc2ncccc2C(=O)O)ccc1[N+](=O)[O-]	1605121000	XATQGLUMRFDCBN-UHFFFAOYSA-N	316.273	1.753	50	20	DDGD	
COc1ccc(NNC(=O)C2(C(=O)O)CCSCC2)nc1	1604821043	HQZJHGLKIRGOIH-UHFFFAOYSA-N	311.363	1.131	50	20	DDGD	
Cn1cnc(CNC(=O)NNc2ccc(F)c(C(=O)O)c2)c1	1600988803	GHAYNGGKAXBALY-UHFFFAOYSA-N	307.285	1.084	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1csc(-c2nn[nH]n2)c1	1609075032	MNYVTCSMBAHCOO-UHFFFAOYSA-N	308.367	1.125	50	20	DDGD	
CCOc1nc(C(=O)NNc2cccc(F)c2C(=O)O)co1	1605719538	PTKQWRQXMBRYIL-UHFFFAOYSA-N	309.253	1.668	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H]2C[C@@H](C)O[C@@H]2C)cccc1C(=O)O	1600051860	XIKDVRLZLCLDEX-ZDSQKVDBSA-N	307.350	1.885	50	20	DDGD	
O=C(C[C@@H]1CCCC(=O)N1)NNc1cccc(C(=O)O)c1F	1601249589	HQCVZFCVOYKUFT-QMMMGPOBSA-N	309.297	1.026	50	20	DDGD	
O=C(NNc1c(F)cccc1F)c1ccnc(-c2nn[nH]n2)c1	1609558822	LNGXUTIARBLDOY-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2CC[C@H]2C(=O)O)c1C	1605345003	MBSVJNIZAUCQTB-GHMZBOCLSA-N	321.402	1.732	50	20	DDGD	
Cc1ccc(OCC(=O)NNc2ccc(C(=O)O)cn2)c(C)c1	1600467891	MIMFZUHDPGBWJI-UHFFFAOYSA-N	315.329	1.919	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cc(C(=O)O)on2)cc1Cl	1601108988	YOHZWZCNIWEOOS-UHFFFAOYSA-N	306.665	1.655	50	20	DDGD	
O=C(NN[C@H](C(=O)O)c1c(F)cccc1Cl)c1ccc[nH]1	1610700555	RHRZZIGMNDGWMP-NSHDSACASA-N	311.700	1.868	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1ccc(F)nc1	1610288249	ZOQDLFDJGPAGNS-UHFFFAOYSA-N	305.265	1.684	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=Cc1ccoc1C(=O)O	1610561360	DITUKOFYGFMDFV-UHFFFAOYSA-N	312.285	1.698	50	20	DDGD	
O=C(NN=C1CCCC[C@@H]1CCCO)[C@@H]1CN2CCC[C@H]2CO1	1549313724	HRXPYERMLNNHAZ-YCPHGPKFSA-N	323.437	1.285	50	20	DDGD	
O=C(CCCc1cnn[nH]1)NNC(=O)Nc1ccc(F)c(F)c1	1577866409	PDFOWPHTRYJFSI-UHFFFAOYSA-N	324.291	1.259	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CCCCCN	1576295384	MZCDDYDEEWHDTB-LLVKDONJSA-N	311.357	1.260	50	20	DDGD	
O=C([C@H]1C[C@@H]1F)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846389036	WJONGGQYTZPBMA-YUMQZZPRSA-N	309.168	1.352	50	20	DDGD	
C[C@@H](CBr)COC(=O)c1ccc(-c2nn[nH]n2)o1	1589785932	AVLCETDGXGGTLP-LURJTMIESA-N	315.127	1.648	50	20	DDGD	
CC1(C)C[C@@]1(C(=O)O)C(=O)NNC(=O)Cc1ccc(F)cc1	1589220054	UTTJTZIYPKTHOR-HNNXBMFYSA-N	308.309	1.017	50	20	DDGD	
CC[C@H](C)[C@@H](O)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843362201	HERGPMRJRQIZMD-HBNTYKKESA-N	320.792	1.131	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(F)c(C(=O)O)c1)c1cnn(C)c1	1593102104	PELZLDHMCHTGMU-QMMMGPOBSA-N	321.312	1.645	50	20	DDGD	
O=C(O)CCC(=O)NNC(=O)c1cc2c(s1)CCCCC2	1594996886	UJRFFDXQTBLTQH-UHFFFAOYSA-N	310.375	1.643	50	20	DDGD	
CN(NC(=O)Nc1ccc(C(=O)NCCC(=O)O)cc1)C1CC1	1598541290	LMZLIDBIMUYUTG-UHFFFAOYSA-N	320.349	1.022	50	20	DDGD	
CNc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cn1	1591224915	HNJNLVFCFCKIQV-UHFFFAOYSA-N	310.321	1.060	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)Nc1ccnc(C(=O)O)c1	1594780270	PDDNUKJTOLEPFX-UHFFFAOYSA-N	318.264	1.385	50	20	DDGD	
Cc1c(C(=O)O)oc2c1C(=NNC(=O)c1ncon1)CCC2	1776106214	URHMLYYZBTWBSD-UHFFFAOYSA-N	304.262	1.140	50	20	DDGD	
COCCCS(=O)(=O)/C(C#N)=C/c1ccc(C(=O)O)nc1	1777207050	MJCUDKHIBJALGF-YRNVUSSQSA-N	310.331	1.096	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1c[nH]c2ccc(C(=O)O)cc12	1776117993	OMXPYXJBKAIULZ-WDZFZDKYSA-N	313.313	1.536	50	20	DDGD	
COC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl	1796804012	IETVFMALJRLJTH-LMLFDSFASA-N	320.792	1.584	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@H]1CCn2ccnc2C1	158288365	ULRFYHOHGWVAOR-JTQLQIEISA-N	301.306	1.497	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1ccc(N2CCCC2)nc1	158845050	OEWFKBWIKTVSGH-OWBHPGMISA-N	300.362	1.742	50	20	DDGD	
Cc1noc2ncc(C(=O)NNc3ncccc3[N+](=O)[O-])cc12	152735970	UZBQMJXAHLWVOS-UHFFFAOYSA-N	314.261	1.591	50	20	DDGD	
COCCC1(C(=O)NNC(=O)c2cccc(N(C)C)c2)CCC1	157369053	JBZYVLGASQUIEA-UHFFFAOYSA-N	319.405	1.720	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccnn1Cc1ccc(F)cc1	157972257	SQKZHVKKUOTWPW-UHFFFAOYSA-N	321.312	1.853	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CNc2ccccc2)ccc1F	159576705	PAARAXBJBXFSBJ-UHFFFAOYSA-N	317.320	1.707	50	20	DDGD	
Cn1cc(CCC(=O)NNC(=O)c2cccc3ncccc23)cn1	106813913	GSGBJSZZMIDSQT-UHFFFAOYSA-N	323.356	1.362	50	20	DDGD	
C[C@@H]1C[C@@H](c2ccccc2)CN1CC(=O)NNC(=O)C1CC1	115555748	AOOAGXVUTFQDKK-IUODEOHRSA-N	301.390	1.422	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(-n2ccnn2)cc1	184788939	YDRYZBMWWIWUGM-JTQLQIEISA-N	302.338	1.466	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cn1	24296061	LOKZCKXZKHRWTN-JTQLQIEISA-N	318.308	1.153	50	20	DDGD	
N#C/C(=C/c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)NC1CC1	63427986	OQRQMAGGUAQHSN-YHYXMXQVSA-N	315.285	1.552	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)n1C	26965749	PTHBKJQXXCJFMQ-UHFFFAOYSA-N	301.302	1.137	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)c1nc(C)cs1	118072589	ANRLLBOUUSBMBJ-SNVBAGLBSA-N	322.394	1.280	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc2c(c1)NC(=O)CC2	179878538	AWMDIRJKGLPBEI-UHFFFAOYSA-N	304.350	1.770	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccc(C#N)cc2)c1C	61474641	NKMRGULTPSSTIK-UHFFFAOYSA-N	324.340	1.781	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2ccccn2)s1	27799997	DPVZAQRJWAZPFN-UHFFFAOYSA-N	305.315	1.005	50	20	DDGD	
Cc1nc(NC(=O)NNC(=O)c2ccc3c(c2)OCO3)oc1C	65773073	WQWLQNKPRXZWBA-UHFFFAOYSA-N	318.289	1.487	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)[C@H]1C[C@@H]1C1CC1	125613031	FHFBDTYCVWESIK-MNOVXSKESA-N	306.387	1.678	50	20	DDGD	
CCCCc1nnc(NC(=O)NNC(=O)c2cccn2C)s1	182878935	YIQSNXSBUIPTMA-UHFFFAOYSA-N	322.394	1.686	50	20	DDGD	
C[C@H](CO[C@@H]1CCOC1)NC(=O)NNc1cc(Cl)ccn1	181446344	BCEXMLNWNIDXGD-MWLCHTKSSA-N	314.773	1.555	50	20	DDGD	
CCCc1cc(NC(=O)NNc2ccc(OC)cn2)n(C)n1	122343117	MDSSLHIAAFZCGT-UHFFFAOYSA-N	304.354	1.925	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(Cl)cc1[N+](=O)[O-]	32262929	GAKNCOGWWMZCIQ-JTQLQIEISA-N	313.697	1.188	50	20	DDGD	
O=C(CCOc1ccc(F)cc1)NNC(=O)NCc1ccco1	122789865	XLDSZJBSWXYUPG-UHFFFAOYSA-N	321.308	1.718	50	20	DDGD	
Cc1cccc(S(=O)(=O)NNC(=O)Cc2cccnc2)c1F	180508552	MNQWFTCZFVOYKM-UHFFFAOYSA-N	323.349	1.081	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(-c2cccs2)n[nH]1	131870551	IEYZSJBSRMSXOX-UHFFFAOYSA-N	316.346	1.694	50	20	DDGD	
Cn1ccnc(NNC(=O)C23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)c1=O	130752738	QWFOCZGWQIFAFW-CHISNJGVSA-N	320.368	1.532	50	20	DDGD	
CN1N=C(C(=O)NNc2ncc(Cl)cc2Cl)CCC1=O	133028219	BPZCMADDRCBYKA-UHFFFAOYSA-N	316.148	1.440	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccc(F)c(Cl)c1	130595932	JZGKDNNUNGSIGV-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1ccc(C)c(F)c1	49124618	DHNYJKYZCAVLKV-UHFFFAOYSA-N	303.359	1.427	50	20	DDGD	
C[C@@H](Sc1ccccn1)C(=O)NNC(=O)NC1CCCC1	84971544	WJOYMSZCXKZZKZ-SNVBAGLBSA-N	308.407	1.835	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)/C=C/c1nc2ccccc2s1	190048046	CYCRWOUXURTREW-BQYQJAHWSA-N	305.359	1.228	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccnc(Br)c1	133687434	FEBVLSNIKUPLBF-UHFFFAOYSA-N	323.150	1.257	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)oc1C	133760456	HHADGXMAEXAYEK-TXEJJXNPSA-N	323.393	1.157	50	20	DDGD	
COCCOc1ccccc1/C=C(\C#N)S(=O)(=O)N(C)C	195320257	MYZQWAVMTPPXFM-JLHYYAGUSA-N	310.375	1.468	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(C)CCOCC2CC2)c1	88599352	PCKATVIGOFGBHN-UHFFFAOYSA-N	319.405	1.114	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)C[C@H]1C[C@H]2CC[C@H]1C2	247105480	VHHHSPITPCHVGT-SDDRHHMPSA-N	309.410	1.265	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)/C=C\c1ccccc1C#N)C1CC1	255330445	AFRUGNSODZJXKD-TYBABMIJSA-N	314.414	1.865	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)Nc2ncccc2O)cc(C#N)n1C	255441313	DXAXNABSQRRRPR-SDQBBNPISA-N	307.313	1.851	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H]1CCO[C@H]1c1ccccc1	267011763	GXHMRKDHCBBUTL-HIFRSBDPSA-N	305.378	1.893	50	20	DDGD	
CCN(C)C(=O)c1cccc(C(=O)NNC(=O)CC(C)C)c1	264240000	DWMBEZFPTBJAOW-UHFFFAOYSA-N	305.378	1.586	50	20	DDGD	
C[C@@H]1CC/C(=C\C(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1	267838789	HDYUYSXWDXEMBH-COTYYPEISA-N	316.357	1.720	50	20	DDGD	
COc1ccnc(NNC(=O)c2csc(NC3CC3)n2)n1	265823761	OXXNQNSHMWVHEY-UHFFFAOYSA-N	306.351	1.273	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CCOc1ccc(C=O)cc1	264602309	XKSYUBCZCHJWDI-UHFFFAOYSA-N	308.334	1.824	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccc(F)cc2)CC1)c1ccc[nH]1	275744666	RJSVJMSJWYQRMJ-UHFFFAOYSA-N	301.321	1.938	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H]2CCO[C@H](C)C2)c1	272056600	JNGRCZDGARBKGY-CHWSQXEVSA-N	306.362	1.336	50	20	DDGD	
COc1cccc(NNC(=O)[C@H]2COCCN2C2CCCC2)n1	369085885	TZONTOOTMRRRPU-CYBMUJFWSA-N	320.393	1.177	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NNc1cc(F)c(F)c(F)c1	273152100	ZCWOGCPSYSLTQA-SECBINFHSA-N	317.311	1.515	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(C)ccc1N1CCCC1	271437345	QYTARZDQMKKWPG-UHFFFAOYSA-N	304.394	1.901	50	20	DDGD	
O=C(NNc1ccccn1)[C@@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2	363927465	XHNGJBATCBRYJS-DEKFOEGESA-N	301.268	1.881	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCS[C@@H](C)CC2)n1	279621835	GWQXCWZJJCXYOS-NSHDSACASA-N	308.407	1.572	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Cc1csc(-c2cccnc2)n1	279040382	XEGMTMWVSBYCFR-UHFFFAOYSA-N	318.402	1.941	50	20	DDGD	
CCC(C)(C)N[C@H](C)C(=O)NNC(=O)COc1ccc(C)cc1	273205775	MEIISMVYJQOTDD-CYBMUJFWSA-N	321.421	1.688	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc(OCC(F)F)n1	276095938	XAUKEAGSJPHYAT-UHFFFAOYSA-N	317.296	1.423	50	20	DDGD	
CC[C@@H](OC)C(=O)NNC(=O)CSc1ccccc1OC	270660963	OXTMXFFOJOKWHK-SNVBAGLBSA-N	312.391	1.360	50	20	DDGD	
CN(NC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1)c1ccccc1	275548610	NFFDUDHOIGALFL-LSDHHAIUSA-N	300.362	1.665	50	20	DDGD	
CSSCCNC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1	283854287	BLEMZNXHMUXDIO-WDEREUQCSA-N	301.437	1.625	50	20	DDGD	
CC(C)c1ccc(Cl)c(S(=O)(=O)NNC(=O)N(C)C)c1	283889423	OELUWHLTRHRRMM-UHFFFAOYSA-N	319.814	1.928	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@H](CCN)C1	286084399	MUPYJNSWNXWHDU-CYBMUJFWSA-N	312.845	1.940	50	20	DDGD	
Cc1cnccc1CC(=O)NNc1nc(-c2ccncc2)no1	373585207	XMTPAOPXNNACCH-UHFFFAOYSA-N	310.317	1.521	50	20	DDGD	
CCC[C@](C)(CC)C(=O)NNC(=O)CNC(=O)c1cccnc1	281531890	REBODCGUDGPJSB-INIZCTEOSA-N	320.393	1.175	50	20	DDGD	
CSCC(C)(C)C(=O)NNC(=O)COc1ccccc1O	282790113	QCYKBEQHKUSPMF-UHFFFAOYSA-N	312.391	1.308	50	20	DDGD	
COCC1(C(=O)NNC(=O)CNc2ccc(OC)cc2)CCC1	287037320	JDDRAQBBYMLCED-UHFFFAOYSA-N	321.377	1.071	50	20	DDGD	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)c1ccc(Cl)cc1	285324263	ZZFHJVDJYMTRSC-WDEREUQCSA-N	310.737	1.300	50	20	DDGD	
COC(=O)CC[C@@H](N)C(=O)NNc1ccccc1C(F)(F)F	288533875	DUDQLPWCQDZYNX-SECBINFHSA-N	319.283	1.429	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cnccc2C)cc1	802058024	DULBXBRLZPXBSZ-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)C(C)(C)OC(C)=O)cc1C	291276048	QWOMOHJUMNQFSA-UHFFFAOYSA-N	322.361	1.957	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNC(=O)N=c1cc[nH]cc1	802035992	PAJLZMRUVWKAKU-NEPJUHHUSA-N	316.386	1.830	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NOC/C=C/Cl)c1ccccc1	290667810	GURBYZWULXGGQC-RMKNXTFCSA-N	311.769	1.979	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CCC1CCOCC1	807369749	IPYKDNVLIGJWMU-UHFFFAOYSA-N	316.398	1.130	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CCc2cncn2C)cc1	802060690	DIYCUDHFLJWVLN-UHFFFAOYSA-N	317.349	1.214	50	20	DDGD	
O=C(NNc1ncccc1F)C(=O)N1CCc2cc(F)ccc21	807300500	NLYIDKLSJXRAGC-UHFFFAOYSA-N	318.283	1.392	50	20	DDGD	
COCc1nc(CNC(=O)NNc2ncccc2F)cs1	291361221	YQUWCTSREXYDKJ-UHFFFAOYSA-N	311.342	1.650	50	20	DDGD	
C[C@]1(CNC(=O)NNc2ccc3c(=O)[nH]ccc3c2)CCCO1	806942356	SCZKVYLNZOZKLK-MRXNPFEDSA-N	316.361	1.723	50	20	DDGD	
CC(C)c1nnc(CNC(=O)NNc2ncc(F)cc2F)[nH]1	297614476	AIHNYNYZSDSIJE-UHFFFAOYSA-N	311.296	1.428	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cc(C)c(F)cc1Cl	806969849	AWDGMSIGMFDQJA-UHFFFAOYSA-N	301.705	1.283	50	20	DDGD	
Cc1cccc2c1OC[C@@H](NC(=O)NNC(=O)C(C)(C)C)C2	291012671	DOMUNAYWWVFGQS-LBPRGKRZSA-N	305.378	1.675	50	20	DDGD	
COC1(CCNC(=O)NNC(=O)c2cccc(C)n2)CCC1	297056800	VTEMUWYJOMJBMR-UHFFFAOYSA-N	306.366	1.293	50	20	DDGD	
O=C(NNC(=O)c1ocnc1C1CC1)c1ccc(Cl)cc1O	809616659	UIGBYLQLFPJOGE-UHFFFAOYSA-N	321.720	1.986	50	20	DDGD	
CC(C)(C)[S@@](=O)CCNC(=O)NNc1ncc(F)cc1F	297418792	YFGWAZBHAWGZDR-NRFANRHFSA-N	320.365	1.533	50	20	DDGD	
COc1cccc(C(=O)CCCC(=O)NNC(=O)C2CC2)c1	291929309	BRGXZVZBJNEMCX-UHFFFAOYSA-N	304.346	1.606	50	20	DDGD	
COc1cc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)on1	802019762	VITMXAVTYDZLQV-UHFFFAOYSA-N	310.697	1.803	50	20	DDGD	
O=C(CN1CCCc2occc2C1)NNC(=O)c1cccs1	808797364	OAVQSISPMFFMOW-UHFFFAOYSA-N	319.386	1.551	50	20	DDGD	
Cc1ccccc1-n1cc(C=NNC(=O)c2cnccn2)nn1	807961874	JBJYVRSSGCXJGG-UHFFFAOYSA-N	307.317	1.130	50	20	DDGD	
COCC(C)(C)CNC(=O)NNC(=O)c1cccc(C#N)c1	813839961	DBBHPNILJJGWFX-UHFFFAOYSA-N	304.350	1.175	50	20	DDGD	
Cc1cc(C=NNC(=O)COc2ccccc2O)c(C)n1C	814951350	XYWCAKNGUOLAEP-UHFFFAOYSA-N	301.346	1.877	50	20	DDGD	
O=C(Cn1cnc(-c2ccccc2)n1)NNc1ncncc1F	817083456	KPIIMXPTEKWXGP-UHFFFAOYSA-N	313.296	1.018	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	812447136	PASIUXCQMJMLPP-MNOVXSKESA-N	324.377	1.383	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1Cl)c1ccccn1	816808570	RRNGBLPJFASHEY-UHFFFAOYSA-N	320.692	1.718	50	20	DDGD	
C[C@H]1CCCC[C@H]1C(=O)NNc1ccccc1S(N)(=O)=O	819947339	ZYPQSMQPECJQMS-WDEREUQCSA-N	311.407	1.603	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)NOC/C=C/Cl	811876575	RQBPTOZPJWGWBN-XVNBXDOJSA-N	322.752	1.656	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=S)NC1CCC1	814191260	IVDDFGKOTBTYOO-UHFFFAOYSA-N	307.419	1.676	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)C1	813574811	GUJLBAQJGDKEAF-UHFFFAOYSA-N	321.333	1.383	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1cnc(Br)s1	819688908	PKLLMKTZNRGLTA-SREVYHEPSA-N	316.180	1.966	50	20	DDGD	
CCO[C@H](C)c1ncc(C(=O)NNc2ncncc2F)s1	817081370	BWNHZCKJLSTYCZ-SSDOTTSWSA-N	311.342	1.927	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)c1cc(Cl)ccc1O)C1CC1	812454278	DSHUUOUFRIXGAK-CQSZACIVSA-N	312.753	1.622	50	20	DDGD	
COC(=O)[C@@H]1[C@H]2CN(C(=O)/C(C#N)=C/c3ccc(O)cc3)C[C@H]21	816966109	JZZNWLPRYYSDNN-IPHKBYPLSA-N	312.325	1.177	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2cc(C#N)cc(Cl)n2)n1	815906350	WKXMVTNEPDTNSE-UHFFFAOYSA-N	305.729	1.283	50	20	DDGD	
CC(=O)N[C@@H]1CCN(/C(=C\C#N)c2cccc([N+](=O)[O-])c2)C1	817281984	AARILBRPUZKOMS-MGEAWDSWSA-N	300.318	1.670	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@H]1Cc2ccccc2S1	728851029	IYQNCFXVJHIUFM-CQSZACIVSA-N	313.382	1.489	50	20	DDGD	
CCN(CCO)NC(=O)c1ccnc(OCc2ccccc2)c1	823853015	XDQXTQZKCQAFGV-UHFFFAOYSA-N	315.373	1.620	50	20	DDGD	
CCCCCC1=CCCC1=NNC(=O)[C@@H](C)NS(C)(=O)=O	728437849	XGKNWHWQRBSSKJ-LLVKDONJSA-N	315.439	1.697	50	20	DDGD	
C[C@H]1Oc2c(cccc2C(=O)NNC(=O)C2CCCC2)NC1=O	729315222	IACMLIHEEKUAPV-SECBINFHSA-N	317.345	1.357	50	20	DDGD	
CO[C@@H](C(=O)NNC(=S)NCCc1cccs1)C(C)C	820171092	FBKQWPGPKCXKTA-LLVKDONJSA-N	315.464	1.457	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@@H](O)C2CCCCC2)cn1	491008426	HZFXNQQDPXZMSP-XIEDVDOYSA-N	302.378	1.384	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H]1NC(=O)O[C@H]1C	496737341	DCHPUZASSDETRW-POYBYMJQSA-N	313.745	1.193	50	20	DDGD	
CC(=O)c1ccc(OCCCC(=O)NN(C)[C@H](C)CO)cc1	823987031	CZZFIYVUPZIBLD-GFCCVEGCSA-N	308.378	1.392	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2cccc(C(=O)O)c2)n1	820881877	ZGKAPIIOVHAOEV-UHFFFAOYSA-N	317.305	1.010	50	20	DDGD	
Cc1cn2ccc(C(=O)NNC(=O)CC(F)(F)F)cc2n1	823829222	PCPSMPRNSAIFJH-UHFFFAOYSA-N	300.240	1.356	50	20	DDGD	
CN(NC(=O)c1cnn(C)c1C(F)F)C(=O)OC(C)(C)C	496569455	XKZVMYQXBQWEHU-UHFFFAOYSA-N	304.297	1.869	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@]2(c3ccccc3)CC2(C)C)cn1	828087067	BOUOBXOCNYCMBG-QGZVFWFLSA-N	312.373	1.549	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc(F)c2occc12	829557369	DLBATODBTMGCAG-UHFFFAOYSA-N	306.293	1.760	50	20	DDGD	
C[C@@H]1C[C@@H]1C=NNC(=O)COc1ccccc1-c1nn[nH]n1	820666227	HFLMRBSZDJYCAZ-NXEZZACHSA-N	300.322	1.004	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(F)cc2ccoc12	823473939	HBFWKYSHPBKRMH-LDYMZIIASA-N	306.293	1.758	50	20	DDGD	
C[C@@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	496683506	IKSPQDGAQPZBPM-CABZTGNLSA-N	319.361	1.242	50	20	DDGD	
CCn1cc(Br)cc1C(=O)NNC(=O)NC1CC1	726770228	OAGFTLZDGZQZFP-UHFFFAOYSA-N	315.171	1.377	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NNC(=O)Nc1ccc(Cl)cc1	490906567	DJRGUWFEDCVBDC-CMDGGOBGSA-N	308.725	1.937	50	20	DDGD	
Cc1cc(C(=O)NN(C)[C@H](C)CO)c(Br)s1	823947426	XWLDWDJUCDSUEL-ZCFIWIBFSA-N	307.213	1.776	50	20	DDGD	
CC(C)[C@@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)[C@@H]1C(C)C	584996376	GJIAJNVIKJYMDT-SWLSCSKDSA-N	307.174	1.258	50	20	DDGD	
CC(C)Oc1cc(C(N)=O)ccc1NC(=O)NN(C)C1CC1	824379998	IMTTWAZBJAEOQK-UHFFFAOYSA-N	306.366	1.703	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(-c2ccc3c(c2)CCO3)no1	823947177	UBFPAJLRHSSDKW-JTQLQIEISA-N	317.345	1.234	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(-c2nnc(N(C)C)o2)cc1	494101929	HAWIDWRQNVVDKV-UHFFFAOYSA-N	320.309	1.195	50	20	DDGD	
C[C@@H]1C[C@H](NCc2cccc(B(O)O)c2)CN1Cc1ccccc1	585028187	GFOQKUNAQDLBOW-BEFAXECRSA-N	324.233	1.119	50	20	DDGD	
C[C@H](NC(=O)c1ccc(B(O)O)cc1)[C@H]1CCCc2ccccc21	584980487	AVFVSPNJFQUALG-SUMWQHHRSA-N	323.201	1.605	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)CC(F)(F)F)CCOc2ccccc21	823368255	HSOOMDHLEPVYEL-ZDUSSCGKSA-N	316.279	1.827	50	20	DDGD	
Cn1nncc1/C=C(/C#N)C(=O)Nc1ccc2c(c1)OCCO2	490724685	APURXOSBTCHOEP-POHAHGRESA-N	311.301	1.132	50	20	DDGD	
CCOC(=O)C1(C(=O)NN(C)C(=O)OC(C)(C)C)CCC1	496435884	HVIPXCWQZOVAMI-UHFFFAOYSA-N	300.355	1.618	50	20	DDGD	
CN1CCO[C@@H](C(=O)NNc2cc(Cl)cc(Cl)c2)C1=O	907707402	PYFSOQOXXOZAEW-JTQLQIEISA-N	318.160	1.294	50	20	DDGD	
C#CCCCC(=O)NN=Cc1ccc(OC)cc1OCC(=O)O	901324454	OWXSHJZPUOKJIM-UHFFFAOYSA-N	318.329	1.412	50	20	DDGD	
O=C(NNc1ncncc1F)[C@@]1(c2ccccc2)CCCO1	820385800	JCTWUIXHUFBXGW-HNNXBMFYSA-N	302.309	1.765	50	20	DDGD	
Cc1cc(Cl)c(C(=O)NN(C)[C@@H](C)CO)cc1[N+](=O)[O-]	823917993	POQPMHHBZDMAFV-QMMMGPOBSA-N	301.730	1.514	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H](C)N1CCc2ccccc2C1	736072774	RXPXZSAMLXYZER-GFCCVEGCSA-N	304.394	1.174	50	20	DDGD	
CC(=NNC(=O)c1c[nH]nc1C)C1CN(C(=O)OC(C)(C)C)C1	492653837	JSVXRMYTWKTDBO-UHFFFAOYSA-N	321.381	1.691	50	20	DDGD	
Cc1ccccc1NC(=O)NN=Cc1ccc(-c2nn[nH]n2)o1	822361486	CGYXMFKZRULBHY-UHFFFAOYSA-N	311.305	1.924	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1cc(C(=O)O)ccc1N(C)C	901259290	QKZMHFGNZNKBHU-ZWNOBZJWSA-N	319.361	1.326	50	20	DDGD	
CC(C)n1cnnc1CN(C)C(=O)[C@@]1(C)C[C@@H]1Br	908368275	LVFMXXIWXBRYGC-CABZTGNLSA-N	315.215	1.991	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H]2CCCC(=O)N2C)ccc1F	909278122	SNIAQXHZPWQKGL-GFCCVEGCSA-N	323.324	1.066	50	20	DDGD	
COc1ccc(C2(C(=O)N3CC[C@H](B(O)O)C3)CCC2)cc1	585072161	JCAWXSPEKUWYNL-ZDUSSCGKSA-N	303.167	1.192	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNC(=S)NC(C)(C)C)C(C)C	900001211	JENMBRRQXMQRNO-SECBINFHSA-N	303.428	1.116	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@H](NC(=O)O)C(C)C)c1ccccc1	736846887	JDWWOVYOYBHDIZ-CHWSQXEVSA-N	321.377	1.620	50	20	DDGD	
CSC[C@H](NCc1ccc(B(O)O)cc1F)c1ccccc1	585028340	JNRVDLFRBBLUFI-INIZCTEOSA-N	319.210	1.699	50	20	DDGD	
CCn1cccc1C=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1	834932207	CJLIOYYRYLBQPD-SOUVJXGZSA-N	320.437	1.703	50	20	DDGD	
C=CC(=O)N(CC)CC(=O)NNc1nccnc1C1CCC1	908197846	YLSOASLBYUESON-UHFFFAOYSA-N	303.366	1.222	50	20	DDGD	
CCCC[C@@H]1CCC[C@H]1NC(=O)c1cc(B(O)O)ccc1F	584939245	HTNKERSULAETQE-IAQYHMDHSA-N	307.174	1.594	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)COCC1CCCC1	836664094	RBRWVFPLMVCJRH-UHFFFAOYSA-N	306.362	1.663	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1	732754913	KYOAUETUCMZCFF-OLZOCXBDSA-N	324.425	1.154	50	20	DDGD	
C[C@@H](NCc1cccc(B(O)O)c1)c1ccc2c(c1)CCC(=O)N2	585040668	PDKZNMCZEATGER-GFCCVEGCSA-N	324.189	1.102	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cccc2[nH]ccc12	831405812	BNPSMVHHIKRXHZ-UWVGGRQHSA-N	302.334	1.746	50	20	DDGD	
N#Cc1cccc([C@H](NNC(=O)CC2CCCC2)C(=O)O)c1	833076800	ZCSMPQXUBUTJKY-HNNXBMFYSA-N	301.346	1.885	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2c(C)cc(C)nc2C)n1	836630884	BWZPLSHTFJRSQG-UHFFFAOYSA-N	302.338	1.954	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)c2ccccc2)[C@@H]2COC[C@@H]21	836205928	WESGTAATOGEEJV-QWHCGFSZSA-N	303.362	1.398	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1ccc(C(=O)O)nc1	901154445	BXHLKWNLTIODSY-LBPRGKRZSA-N	318.377	1.352	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccccc2-n2cccc2)n[nH]1	917391570	ABPFQDQZFFQUJA-UHFFFAOYSA-N	309.329	1.584	50	20	DDGD	
COCC1(C(=O)NNC(=O)Cc2ccccc2F)CCCC1	837405560	RJLLCNYBUTUAND-UHFFFAOYSA-N	308.353	1.722	50	20	DDGD	
CCn1cc(C=NNC(=O)[C@H](C)CN2CCCCCC2)cn1	732528709	VWBXNYUCAFYIJC-CQSZACIVSA-N	305.426	1.865	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCCc1nc(C2CC2)no1	739707119	XWYSXNRZBOCMQT-UHFFFAOYSA-N	309.370	1.400	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1ccsc1C(=O)O	736252391	YPYWJRULOUWGKY-UHFFFAOYSA-N	320.392	1.192	50	20	DDGD	
COC(=O)[C@@H]1CN(C(=O)[C@]2(C)C[C@H]2Br)C[C@H]1C	911420688	VUYUWFLNAIBYBC-MFYTUXHUSA-N	304.184	1.427	50	20	DDGD	
C[C@@H](C[C@@H](C)N)NC(=O)NNC(=O)c1c[nH]c2ccccc12	831197624	SJZZONPDQFPGCD-ZJUUUORDSA-N	303.366	1.238	50	20	DDGD	
O=C(COC(=O)[C@H]1Cc2ccccc21)NNC(=O)c1ccccc1	745374004	YYHIJOCEWQETSB-HNNXBMFYSA-N	324.336	1.331	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)COc1cc(C)cc(C)c1	749755126	CCPGDLQNXJBWPU-LBPRGKRZSA-N	309.435	1.976	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC[C@@H]2CCCCN2)cc1F	841921419	IWGJBVUYUBTKMQ-NSHDSACASA-N	324.356	1.381	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccc(C(F)(F)F)nn1)n1ccnc1	845883679	URNQNCAEQLHPFJ-QMMMGPOBSA-N	314.271	1.786	50	20	DDGD	
CCCNC(=O)CCC(=O)NNc1ccc(CC(=O)OC)cc1	846372463	SLDQZVZESMSCIH-UHFFFAOYSA-N	321.377	1.152	50	20	DDGD	
COC(=O)C12CC(C(=O)NNc3nccnc3C3CCC3)(C1)C2	843887352	WNKZOAVBWCLTBJ-UHFFFAOYSA-N	316.361	1.531	50	20	DDGD	
C[C@@H]1O[C@H](C)C[C@@H]1CNC(=O)NNC(=O)c1ccccc1F	840434158	NQZWOLOGDFHTSU-OUAUKWLOSA-N	309.341	1.583	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)COc1ccccc1Br	910155547	MGWFTNOSZPYHJA-VIFPVBQESA-N	317.183	1.172	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCCC2(CCOCC2)C1	744405598	UEXWBHMJHGHCMY-UHFFFAOYSA-N	311.426	1.073	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=Cc1cccc2c1OCO2	747638936	WYNVUYBXQLZHBP-UHFFFAOYSA-N	322.324	1.756	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)[C@@H]1CCCCO1)c1cccnc1	840489815	UWLLRWIUJKONOE-ZDUSSCGKSA-N	320.393	1.259	50	20	DDGD	
O=C(NNS(=O)(=O)CCc1ccc(F)cc1)C1CCC1	849308725	UPNWQPXZCFAWKP-UHFFFAOYSA-N	300.355	1.119	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H](C)[C@@H]2CCCNC2)cc1	841928852	SZAOGQRBAHXBIR-SWLSCSKDSA-N	318.421	1.581	50	20	DDGD	
COC(=O)C1(C(=O)COC(=O)/C(C#N)=C\c2ccccc2)CC1	848748192	JEGHKAXGRZTUMQ-LCYFTJDESA-N	313.309	1.659	50	20	DDGD	
C=CCOc1ccc(/C=C/C(=O)NN(C)C[C@@H](C)O)cc1OC	910176479	CBXUKLWMNHXQKR-BUUCAEBMSA-N	320.389	1.617	50	20	DDGD	
Cc1ccc(Cl)c2c1NC(=O)C2=NNC(=O)[C@@H]1CCO[C@@H]1C	842559782	XKBXQPWFSOVZEK-RKDXNWHRSA-N	321.764	1.846	50	20	DDGD	
COc1ccc(C)cc1CNC(=O)NNC(=O)c1ccc[nH]1	916601567	BPNBCFGNOYQOEI-UHFFFAOYSA-N	302.334	1.476	50	20	DDGD	
CNc1nccc(C(=O)NNC(=O)CC2CCCC2)c1[N+](=O)[O-]	848369148	CDJBHNGSCLSJDG-UHFFFAOYSA-N	321.337	1.373	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)CN2CCCC2=O)C1(CC)CC	748245229	XZVCBDSYYPPELV-CYBMUJFWSA-N	309.410	1.696	50	20	DDGD	
CN(C)CC[C@@H](N)C(=O)NN=C(c1ccccc1)c1ccccc1	846667018	KLUFUNVITCRHLL-QGZVFWFLSA-N	324.428	1.834	50	20	DDGD	
Cn1c(NNC(=O)[C@@H](NC(N)=O)C(C)(C)C)nc2ccccc21	848380605	KZGQTXOTKSZHPB-LLVKDONJSA-N	318.381	1.099	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(O)c2ccsc2c1	843971828	RLGZABOVQYLREF-WPRPVWTQSA-N	320.370	1.793	50	20	DDGD	
COCC1CCN(CC(=O)NNC(=O)c2cccc(C)c2)CC1	744399226	GVPRAJPNADVWOQ-UHFFFAOYSA-N	319.405	1.114	50	20	DDGD	
CC[C@H](Oc1ccccc1F)C(=O)NNc1nccn(C)c1=O	748422612	FDEDZOYHPYLFNF-NSHDSACASA-N	320.324	1.220	50	20	DDGD	
O=C(NCCOC[C@H]1CCCO1)NNc1ccc(Cl)nc1	745826875	XBLSGXFYYNUUNA-LLVKDONJSA-N	314.773	1.557	50	20	DDGD	
CN(C)C(=O)NNC(=O)CCCc1nnc(-c2ccccc2)o1	746001281	GHYSIFJRYWKJIO-UHFFFAOYSA-N	317.349	1.362	50	20	DDGD	
CC(C)(C)CNC(=O)c1ccc(C(=O)NNC(=O)C2CC2)cc1	741659927	IVTSNDNUMSFALD-UHFFFAOYSA-N	317.389	1.634	50	20	DDGD	
COCCn1cc(C=NNC(=O)Cc2ccc(F)cc2)cn1	743428986	VDWTZKQZEWTTBQ-UHFFFAOYSA-N	304.325	1.361	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@H](C)CCCN)c(F)c1	841999360	HVSLAEHDKGBYRB-SECBINFHSA-N	312.345	1.366	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1cc2ccsc2[nH]1	920857913	YJYUDJKLODPSOB-UHFFFAOYSA-N	304.331	1.967	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C[C@H](C)COC	755035865	HOPHCQHVNZHMNZ-LBPRGKRZSA-N	324.377	1.284	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)C/C(C)=C/c1ccccc1	755194697	KIMHHAVOZPYTNM-CMPYXILNSA-N	303.406	1.968	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccc(-n2cccn2)nn1)C1CC1	920054607	SEGZIKPNIQWVDW-JTQLQIEISA-N	301.354	1.335	50	20	DDGD	
C[C@H](OC[C@H]1CCCO1)C(=O)NNc1ncc(Cl)cn1	857356340	XUEQGLYHIWTPOA-WCBMZHEXSA-N	300.746	1.157	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(C)nc2onc(C(C)C)c12	920857556	PWQMMEOVFUQIIQ-UHFFFAOYSA-N	305.338	1.619	50	20	DDGD	
CCn1nccc1C=NNC(=O)c1cnn(-c2ccccc2)c1	753700061	CKPBRIZEOKNZOY-UHFFFAOYSA-N	308.345	1.853	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(C)sc1Br	854923415	VDOAVLOTPXGQBY-UHFFFAOYSA-N	322.253	1.900	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cc(O)cc(Br)c1	858522584	BSVFLCHTEVFMGJ-UHFFFAOYSA-N	315.167	1.962	50	20	DDGD	
C[C@H](O)C[C@H](C)CNC(=O)NC[C@]1(C)C[C@@H]1Br	856955539	MHZYRMWPKBPGBT-GMOBBJLQSA-N	307.232	1.866	50	20	DDGD	
Cc1ccnc(NNC(=O)c2c(C)oc3ncn(C)c(=O)c23)c1	755846150	UZIIZQHTBLHFDU-UHFFFAOYSA-N	313.317	1.295	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2C[C@H]2C2CC2)cc1	751746277	QYQIXMRXQFLFQC-KBPBESRZSA-N	316.357	1.345	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccc(Cl)n1)N1[C@H](C)CC[C@H]1C	857325620	DTELBXHWXRJEOE-MXWKQRLJSA-N	324.812	1.757	50	20	DDGD	
CCCn1nccc1C=NNC(=O)COc1ccccc1F	853265668	CKBACMDSLRFOOA-UHFFFAOYSA-N	304.325	1.961	50	20	DDGD	
CN[C@@H]1CCCN(C(=O)NC[C@]2(C)C[C@H]2Br)C1	857105225	GXGMMCJGCHYNTG-FOGDFJRCSA-N	304.232	1.553	50	20	DDGD	
Cn1cnc2cc(C(=O)NNC(=O)OCC(F)(F)F)ccc21	856018623	FJKVARKTVLABIZ-UHFFFAOYSA-N	316.239	1.507	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)[C@H]1CCCN1c1ncccn1	855469174	VZAWTUCIBVLTMV-LLVKDONJSA-N	318.768	1.637	50	20	DDGD	
C[C@]1(CNS(=O)(=O)c2ccccc2O)C[C@@H]1Br	856753914	ZVZYGPDHUHMPSA-WDEREUQCSA-N	320.208	1.844	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ncc(C)cc1OC	754284096	JVLFENXHCWGMDQ-UHFFFAOYSA-N	315.329	1.942	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)c1cc(Br)c[nH]1	755063225	LBVPAAIDPPRUKL-ZETCQYMHSA-N	318.171	1.211	50	20	DDGD	
O=C(CN[C@@H]1CCC[C@@H]1Cc1ccccc1)NNC(=O)C1CC1	755073106	WMHSWOPZQFANOA-HZPDHXFCSA-N	315.417	1.545	50	20	DDGD	
CN(C)c1nccc(NNC(=O)C[C@@H]2CSCCS2)n1	752624718	QLGSTONKBIBGHB-SECBINFHSA-N	313.452	1.224	50	20	DDGD	
C[C@@]1(CNC(=O)N2CCC(CCO)CC2)C[C@H]1Br	856957055	YVFAELZAEKNOPA-YPMHNXCESA-N	319.243	1.964	50	20	DDGD	
C[C@H](NNC(=O)C(=O)NCCCc1ccccc1)C(F)(F)F	862312830	UKYFUCRFJOUWCF-JTQLQIEISA-N	317.311	1.307	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)N2CC[C@H](B(O)O)C2)no1	864234776	VTICAQJAMYSHHT-JTQLQIEISA-N	316.122	1.039	50	20	DDGD	
COc1cc(OC)c(NCc2ccccc2B(O)O)cc1F	864029352	KZVIZAKUQAIYOP-UHFFFAOYSA-N	305.114	1.135	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](Nc2ccccc2)C1	768558227	ZBJRYJVBZBCZTK-DZGCQCFKSA-N	318.421	1.509	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)/C=C/C1CCOCC1	766661351	AXVBJSUXYNPHND-VOTSOKGWSA-N	324.402	1.516	50	20	DDGD	
CSCc1cccc(NC(=O)C(=O)NNC(=O)C2CCC2)c1	764335836	UOFVDCPCWCVLFC-UHFFFAOYSA-N	321.402	1.436	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCCOc2ccccc21	761692232	JWQUJJBYPXRUPW-UHFFFAOYSA-N	305.378	1.469	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc2c(c1)COC2	769769464	UEIAPMDUJOIVIY-UHFFFAOYSA-N	311.432	1.189	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CN(C)C1CCC1	863852533	LZHWGGXDWUSDGT-LLVKDONJSA-N	323.368	1.225	50	20	DDGD	
C[C@@H](C(=O)N(C)NC(=O)OCc1ccccc1)[C@H]1CCC(=O)N1	862289249	MYQXZBRQMQTMKI-DGCLKSJQSA-N	319.361	1.201	50	20	DDGD	
Cn1ccc(CNC(=O)NNc2ccccc2S(C)(=O)=O)c1	765812521	JNPNQFOETYPFNJ-UHFFFAOYSA-N	322.390	1.255	50	20	DDGD	
C[C@H](O)c1cn(CC(=O)NNc2ccc(F)c(Cl)c2)nn1	863080910	RQNNJKGLZXUOLN-ZETCQYMHSA-N	313.720	1.267	50	20	DDGD	
O=S(=O)(CCCCCl)NC[C@@H]1CCCCN1C1CC1	766206057	DGEALRSXSSYGOT-ZDUSSCGKSA-N	308.875	1.942	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)CCc2ccccc2O)c(C)n1	863867290	YHPAYKUNWLLSIW-UHFFFAOYSA-N	316.361	1.311	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNCC(F)(F)C(F)(F)F)cc1	863090556	QKQBZKFHBZFVEJ-UHFFFAOYSA-N	323.221	1.755	50	20	DDGD	
CCC(Cc1ccccc1)=NNC(=O)CNC(=O)c1cccnc1	763199319	PGOTUPHOSYCOOM-UHFFFAOYSA-N	324.384	1.936	50	20	DDGD	
CCC(C)(C)N[C@@H](C)C(=O)NNCC(F)(F)C(F)(F)F	863100373	QMYJNVIDXAWHIS-ZETCQYMHSA-N	305.291	1.972	50	20	DDGD	
COc1cc(C(=O)NNc2cccc(C)n2)cc2c1OCCO2	862525816	XMLYXEXLKOXELQ-UHFFFAOYSA-N	315.329	1.927	50	20	DDGD	
COc1ccnc(C(C)=NNC(=O)Cc2csc(C)n2)c1	863069815	MOINHHLDEZJZNB-UHFFFAOYSA-N	304.375	1.938	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C[C@@H]2COC(=O)C2)c(C)c1	765385464	PKZDYTNPZDPXGB-NSHDSACASA-N	321.402	1.574	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCC[S@@](=O)C(C)(C)C	866799150	KTJKFTADKLXNFN-QGZVFWFLSA-N	317.904	1.718	50	20	DDGD	
Cc1cccc(NNC(=O)C[C@@H](C)NC(=O)C2CCCC2)n1	862523537	HXSUKPCOWQKSOM-GFCCVEGCSA-N	304.394	1.918	50	20	DDGD	
CCN(CC)c1ccc(CNC(=O)NN(C)C(=O)OC)cn1	875063027	ZSUMZZUMBXHKQB-UHFFFAOYSA-N	309.370	1.340	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NN=CC[C@H]1CCOC1	765558694	FKIZTCLOWBYOFN-NSHDSACASA-N	307.306	1.502	50	20	DDGD	
CC(C)(C)CC(=O)N1CCC(=NNC(=O)C2CCOCC2)CC1	1119362075	YDBGXNZIKUKIMQ-UHFFFAOYSA-N	323.437	1.944	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(Cl)c(Cl)[nH]1	771970291	KPBYSUNLXXKYKQ-RXMQYKEDSA-N	322.148	1.424	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(-c2ccco2)nc1O	770549143	LZXDEGVJLRLGNK-UHFFFAOYSA-N	304.306	1.353	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNC(=O)c1nc2ccccc2s1	874914303	RTGHIHZCKQOWNW-UHFFFAOYSA-N	321.358	1.399	50	20	DDGD	
COC(=O)COCCNC(=O)NNc1ccccc1Cl	875848781	OAKMIOROOBFYPV-UHFFFAOYSA-N	301.730	1.156	50	20	DDGD	
O=C(NN=Cc1cc2c([nH]1)CCCC2)[C@@H]1CN2CCC[C@@H]2CO1	872388993	ULQGWRBIQXFIBR-ZBFHGGJFSA-N	316.405	1.207	50	20	DDGD	
Cn1nc(Br)cc1/C=C(/C#N)C(N)=C(C#N)C#N	779797532	JERISVWDUITEMB-UQCOIBPSSA-N	303.123	1.350	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(C(C)(C)C)nn1)c1ccn(C)n1	1117961519	VPMOLAVIKZABNA-SNVBAGLBSA-N	317.397	1.895	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)[C@@]2(C)CCOC2)cc1	1119115190	FODYDGKOOSJMKK-HNNXBMFYSA-N	322.434	1.497	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(C)n(-c2ccccc2Cl)n1	776706819	TXLHFESPSFDNRN-UHFFFAOYSA-N	307.741	1.408	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cnn(C(C)(C)C)c1C	772013365	PEDOGAOKKMVZCS-JTQLQIEISA-N	324.381	1.049	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(Br)c(F)c1)N(C)C	771680206	CWSCXQBHMSVACV-ZETCQYMHSA-N	304.163	1.981	50	20	DDGD	
COc1ccc(C=O)c(OCC(=O)NNc2ccccn2)c1	777474667	QXFXYNAFDBZZFL-UHFFFAOYSA-N	301.302	1.425	50	20	DDGD	
N#Cc1cccc(NNC(=O)C(=O)N2CCc3c(F)cccc32)c1	773684959	AMTHWDROQCJIEO-UHFFFAOYSA-N	324.315	1.730	50	20	DDGD	
Cc1ccc2[nH]c(C(=O)NNC(=O)C3CCOCC3)cc2c1	883061407	SZZZLEULXPKYEH-UHFFFAOYSA-N	301.346	1.664	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ccc3ccccc3n2)no1	777460517	QZKQQAQLNDNGJE-UHFFFAOYSA-N	311.301	1.613	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1cc(Cl)ccc1OC	779820664	IABKSPFBHJIBPP-UHFFFAOYSA-N	313.741	1.545	50	20	DDGD	
CCOC(=O)c1ccc(CNS(=O)(=O)CCCCl)cc1	881809214	VFIDPQYZMRTAIC-UHFFFAOYSA-N	319.810	1.912	50	20	DDGD	
COc1ccc([C@H](CO)CNS(=O)(=O)CCCCl)cc1	882250748	HTADUNQTPJHBRG-LBPRGKRZSA-N	321.826	1.319	50	20	DDGD	
COCC1(C(=O)NNc2cc(F)ccc2F)CCOCC1	885141956	RNLOMTGIVZNFTM-UHFFFAOYSA-N	300.305	1.851	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](O)C2CCCCC2)c1	783701693	VQAAHYZITHIMMY-CQSZACIVSA-N	306.362	1.858	50	20	DDGD	
CN(NC(=O)C(=O)Nc1cnn(CC(F)F)c1)c1ccccc1	783432212	QWTQQRLDXDAJJY-UHFFFAOYSA-N	323.303	1.254	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)C1CCN(C2CC2)CC1	787494950	RZGZNYONTLBXSV-UHFFFAOYSA-N	317.389	1.791	50	20	DDGD	
CC(C)C(=O)NNC(=O)Cn1cc(-c2cc(F)cc(F)c2)nn1	881299664	RYJUERAXDCMEAT-UHFFFAOYSA-N	323.303	1.027	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc(N2CCOCC2)c(F)c1	782569553	JTCCELMBMBLLJG-UHFFFAOYSA-N	324.356	1.471	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1ccc(OCc2ccncc2)cc1	785463575	RQVJDYLNAKDIIV-UHFFFAOYSA-N	313.357	1.882	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1cnc2c(c1)CCCC2	784795823	AKMRHODRBMCBSI-UHFFFAOYSA-N	311.345	1.437	50	20	DDGD	
COC1CCC(C(=O)NNC(=S)Nc2ccccn2)CC1	781030838	PQVXQEMXDAFXMW-UHFFFAOYSA-N	308.407	1.604	50	20	DDGD	
O=S(=O)(NC[C@]1(O)CCSC1)c1ccc(CCl)cc1	702274167	XXEIGWATJNPOLK-GFCCVEGCSA-N	321.851	1.572	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1CCCc2cccnc21	799107383	CTJKWNDFCVWXBK-CYBMUJFWSA-N	316.405	1.207	50	20	DDGD	
O=C(Cc1ccc2n[nH]cc2c1)NNc1nccnc1Cl	795102853	HBQVLLZTHRJSPG-UHFFFAOYSA-N	302.725	1.692	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCC2(C#N)CC2)c1	797583437	WKBUTWVUIRMGDH-UHFFFAOYSA-N	301.350	1.000	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCc1cnc2ccccc2c1	792303963	YENHUZKVSFTKMU-UHFFFAOYSA-N	300.362	1.860	50	20	DDGD	
N#Cc1cccc(NNC(=O)[C@@H]2CCN(CC(F)(F)F)C2)c1	792260338	JJEFMMBQAJJUQA-LLVKDONJSA-N	312.295	1.886	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)NOCC(F)F	793169768	YPWLZYWCKJXTIQ-UHFFFAOYSA-N	305.306	1.378	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1ccc(N)c([N+](=O)[O-])c1	799106995	RUDWEMRYQFLQOS-UHFFFAOYSA-N	316.321	1.291	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F)[C@@H](C)O	790070211	LRKWTHPSYSDVKL-MXWKQRLJSA-N	312.341	1.147	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2cccc(OC)n2)cc1	790143846	YARROSNRKWCPLZ-UHFFFAOYSA-N	315.329	1.628	50	20	DDGD	
NS(=O)(=O)c1ccc(F)c(C(=O)NNc2ccccc2)c1	798334566	HKCRPNKCYFYHKM-UHFFFAOYSA-N	309.322	1.230	50	20	DDGD	
O=C(Cc1cccc(C(F)F)c1)NNC(=O)N1CCOCC1	790545027	BVAUFJCCYPHMCA-UHFFFAOYSA-N	313.304	1.240	50	20	DDGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cn(C)cn2)cc1OC	798231784	KPFUCAKFIFOSHX-IZZDOVSWSA-N	312.329	1.983	50	20	DDGD	
O=C(COc1cc(Cl)ccc1Cl)N1CC[C@H](B(O)O)C1	585069169	LYABVWUIVZDYJN-QMMMGPOBSA-N	317.965	1.448	50	20	DDGD	
Cc1ccc2c(c1)S[C@H](C(=O)NNc1nccn(C)c1=O)C2	1318911327	ZIKKUMMXPOCPJU-LBPRGKRZSA-N	316.386	1.249	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)cc1	1313432453	QSZDPTWHZXFDNX-BFHYXJOUSA-N	303.362	1.513	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cccc3ncccc23)ccn1	1318589159	YZWBGNZWHVDQQX-UHFFFAOYSA-N	322.324	1.713	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCc2nc(C)cs2)cc1	1248696507	UXXJTMHLPAYRLD-UHFFFAOYSA-N	320.374	1.604	50	20	DDGD	
CC1=C(C(=O)NNc2nncc(N)c2Cl)SCCO1	1322979075	CODINXSEPYCABW-UHFFFAOYSA-N	301.759	1.150	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNc1nncc(N)c1Cl	1325403539	DSQABRLZAAYEPN-UHFFFAOYSA-N	307.745	1.130	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnn(C2CCCC2)c1C	1326979201	UGHCFXGKKBCQNE-UHFFFAOYSA-N	307.423	1.602	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2c(C)noc2C2CC2)cc1	1325199589	FUOUEFMLWNIWRY-UHFFFAOYSA-N	315.329	1.944	50	20	DDGD	
O=C(C[C@@H]1CCS(=O)(=O)C1)NNc1cc(Cl)ccn1	1254288930	SGVHFHKFEFUJJQ-QMMMGPOBSA-N	303.771	1.003	50	20	DDGD	
Cc1ncc(C(=O)NNC(=S)NC(C)(C)C)c(C2CC2)n1	1339053395	HFINLGNWHSONKU-UHFFFAOYSA-N	307.423	1.570	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1cccc2c1[C@H](C)CC2(C)C	1337909636	YYHMPCRCMFCGPB-SECBINFHSA-N	303.362	1.577	50	20	DDGD	
NC1(CNC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1	1337029763	LGYRTXUJSJJZEL-UHFFFAOYSA-N	320.437	1.415	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1cccc2c1OCC2	1331553040	ASVFZVKIGCGAKI-UHFFFAOYSA-N	303.240	1.727	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1CCCc2cnn(C(C)C)c21	1333116296	VKCCPWBMMHRIIK-LLVKDONJSA-N	309.370	1.754	50	20	DDGD	
CCOc1cc(NC(=O)NNC(=O)C2CCNCC2)ccc1C	1261370181	BATLWEIUPFJRMO-UHFFFAOYSA-N	320.393	1.546	50	20	DDGD	
CCOC(=O)C1(NS(=O)(=O)CCl)Cc2ccccc2C1	1260936956	VKUHJTNURCFSDC-UHFFFAOYSA-N	317.794	1.203	50	20	DDGD	
C[C@@H](NNC(=O)[C@H]1COc2ccc(F)cc2C1)C(F)(F)F	1351716027	JVXJQFPRMISBJP-VXNVDRBHSA-N	306.259	1.948	50	20	DDGD	
COC(=O)c1cnc(C(C)=NNC(=O)C2CCOCC2)s1	1353089934	RANPVQFLOLKZFC-UHFFFAOYSA-N	311.363	1.197	50	20	DDGD	
CN1CCN(CCCNC(=O)C2CCC(Cl)CC2)CC1	1520746798	IAKMYKWDOYHJLJ-UHFFFAOYSA-N	301.862	1.538	50	20	DDGD	
Cc1ccc(NNC(=O)CCCNC(=O)C2CC2)cc1C(=O)O	1600463020	UVVBRYZIOIDENC-UHFFFAOYSA-N	319.361	1.443	50	20	DDGD	
O=C(NC[C@H]1CCCCCN1)NNc1ccc(C(=O)O)c(F)c1	1601487236	ZHYRVXSFYFXZOQ-LLVKDONJSA-N	324.356	1.682	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NNc1cccc(F)c1C(=O)O	1603021037	VJOQMYPFUSCMNW-GFCCVEGCSA-N	323.324	1.368	50	20	DDGD	
C[C@H](C(=O)O)C(=O)NNc1cc(F)ccc1Br	1609701023	MBWVTPASCKEWAU-YFKPBYRVSA-N	305.103	1.752	50	20	DDGD	
C=C[C@H](NNC(=O)c1ccc(OCCC)c(OC)c1)C(=O)O	1602818737	FHKMLSHLZRJBKQ-NSHDSACASA-N	308.334	1.358	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H]1C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	1606407734	IEEBMOQWGMBYJX-HTQZYQBOSA-N	313.697	1.802	50	20	DDGD	
O=C(COc1ccccc1F)NN[C@@H](C(=O)O)c1ccsc1	1608351991	NRIZYSJAZSHZMG-CYBMUJFWSA-N	324.333	1.713	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	1602230060	COTBIQXKFHVSFD-YIZRAAEISA-N	306.293	1.582	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNc1ccc(C(=O)O)cn1	1601389420	INNZGVSSKLERHD-UHFFFAOYSA-N	311.301	1.273	50	20	DDGD	
CCCC[C@@H](NNC(=O)COc1cc(C)ccc1C)C(=O)O	1609961484	MPYBJWXQEPDBNQ-CYBMUJFWSA-N	308.378	1.946	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2ccc(C(=O)O)n2C)cc1F	1610484777	GKZNGCHQAALHCH-UHFFFAOYSA-N	303.293	1.935	50	20	DDGD	
O=C(O)c1ccc(CNS(=O)(=O)CCl)nc1C1CC1	1610828258	LEYWIJDVPXTAAT-UHFFFAOYSA-N	304.755	1.273	50	20	DDGD	
Cc1cccc(C(=O)NN=C2CCN(CCCC(=O)O)CC2)n1	1610518425	BCGNYUFDLXKFSZ-UHFFFAOYSA-N	318.377	1.436	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCO[C@@H]1c1ccnn1C)c1cnc[nH]1	1549316617	SPZXNJAEAXVQHK-FZMZJTMJSA-N	316.365	1.151	50	20	DDGD	
O=C(CCc1ccc(C(=O)O)cc1)NNC(=O)[C@@H]1CCCS1	1610659434	SSTJYZMUCNFPAZ-LBPRGKRZSA-N	322.386	1.360	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)c(Cl)c1)c1cc2n(n1)CCC2	1610701546	SNLDJAWJAMXEHV-UHFFFAOYSA-N	320.736	1.938	50	20	DDGD	
C[C@@H](O)C(=O)N1CCC2(CCCN(C(=O)[C@H](F)Cl)C2)CC1	1810911897	BKUSGAVGTAZSRW-MNOVXSKESA-N	320.792	1.133	50	20	DDGD	
C[C@@]1(C(=O)NNc2c(F)cc(F)cc2F)C[C@H](N)CCO1	1576349769	ICGIIZURJXEFAN-OQPBUACISA-N	303.284	1.443	50	20	DDGD	
C/C=C(\C)C(=O)NNC(=S)Nc1cccc(-c2cnn[nH]2)c1	1576160760	OAPMLYMFUQEXKE-YCRREMRBSA-N	316.390	1.756	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cnc(N)s2)c1C	1578877709	IFEFFNHIZRCULM-UHFFFAOYSA-N	306.347	1.577	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCNC1)c1c(F)c(F)cc(F)c1F	1580732684	GJRVTSYQMCIMGP-LURJTMIESA-N	319.258	1.004	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)CCc1ccccc1)C(=O)O	1589538478	LBKVRCVKSLQDCK-LBPRGKRZSA-N	307.350	1.060	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(-c2nn[nH]n2)cn1)C1(C)CC1	1589935109	RQJBCMYOFUYCQD-MRVPVSSYSA-N	302.342	1.076	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1ccnc(-c2nn[nH]n2)c1	1592263892	IQSXJMRILUIVPO-UHFFFAOYSA-N	311.309	1.114	50	20	DDGD	
CC[C@H](C(=O)O)C(=O)Nc1cccc(NC(=O)NN(C)C)c1	1594761381	AVAZLMJIIYBRIU-NSHDSACASA-N	308.338	1.334	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCc2ccc(C(=O)O)cc2C1	1596859611	FMUKQCIZEQETRY-GXDHUFHOSA-N	300.314	1.713	50	20	DDGD	
O=C(NCC(Cl)Cl)Nc1ccc(F)cc1-c1nn[nH]n1	1593008448	IEEWWSJYVXEPIG-UHFFFAOYSA-N	319.127	1.931	50	20	DDGD	
O=C(NN=C[C@@H]1CCCSC1)c1ccc(-c2nn[nH]n2)cc1	1593155428	OAWFJLJZDMOAPC-JTQLQIEISA-N	316.390	1.726	50	20	DDGD	
CCCC[C@H](NNC(=O)c1cc(Br)c[nH]1)C(=O)O	1595640277	DGCNJESTWRTYFZ-QMMMGPOBSA-N	318.171	1.655	50	20	DDGD	
COc1ccc(C)nc1C=NNC(=O)c1cccc(C(=O)O)c1	1776096962	ZPSFCXXYXKJJSJ-UHFFFAOYSA-N	313.313	1.861	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)c1ccncc1	158052413	LLJRICJVETYOMS-VXGBXAGGSA-N	317.295	1.925	50	20	DDGD	
C[C@H](OC[C@H]1CCCO1)C(=O)NNc1cnc2ccccc2n1	163436006	LKFSFNHZNIINCI-NWDGAFQWSA-N	316.361	1.657	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2c(C)[nH]c3ccccc23)[nH]n1	153084607	RCCYMCOEMSGSLC-UHFFFAOYSA-N	311.345	1.512	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)/C=C/c1cccc(O)c1	153173245	NSKIJGOBRLLWPP-MDZDMXLPSA-N	312.325	1.875	50	20	DDGD	
COc1cc(C)ccc1CNC(=O)NNc1ccc(C)nn1	155706772	YKOFUGBBRMPXIK-UHFFFAOYSA-N	301.350	1.928	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)c2c(C)nc3ccccn23)[nH]1	159536853	INUFEHWZVAAADK-UHFFFAOYSA-N	311.345	1.662	50	20	DDGD	
CC(C)O[C@H]1CS(=O)(=O)C[C@H]1I	158032179	VIUQLPKZZPAVEL-RQJHMYQMSA-N	304.149	1.012	50	20	DDGD	
CN(C)C[C@@H]1CCCCN1S(=O)(=O)CC(C)(C)CCl	867527074	ZZSZXMLEKMNNQZ-LBPRGKRZSA-N	310.891	1.997	50	20	DDGD	
O=C(CSCc1cccs1)NNC(=O)c1ccccn1	7475494	JNGVGDHGSVUQEW-UHFFFAOYSA-N	307.400	1.838	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)C(F)(F)C(F)F)c1	175763108	VERBCLWMNKTCLA-UHFFFAOYSA-N	307.247	1.414	50	20	DDGD	
C[C@@H](Oc1cccc(F)c1)C(=O)NNC(=O)Cc1cccnc1	103423988	WODBKQPAVFVUFC-LLVKDONJSA-N	317.320	1.378	50	20	DDGD	
C[C@@H]1CCCN(C[C@@H](C)NC(=O)NNC(=O)CC(C)(C)C)C1	103310062	KOZYGXHXTODOSH-CHWSQXEVSA-N	312.458	1.873	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)CC(C)(C)C)NC(=O)C1CCCC1	103196431	HIRKCSPBQXDDOE-LLVKDONJSA-N	311.426	1.655	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNc2ccc(Cl)nn2)ccc1F	172439795	LDCSLMKQUMGGNJ-UHFFFAOYSA-N	323.715	1.984	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1ccncc1)[C@@H]1C[C@@H]2CC[C@@H]1C2	176132823	PEYZGOLDAJGZRW-MYPMTAMASA-N	316.405	1.779	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NNC(=O)c2cccn2C)cc1	28809556	WDSBBWPTZJVCSG-UHFFFAOYSA-N	323.374	1.047	50	20	DDGD	
CCCN(C)C[C@@H]1CCN(C(=O)NNC(=O)c2ccccc2)C1	176995889	RZTXLJPYURJAPB-AWEZNQCLSA-N	318.421	1.705	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@H](C)c2ccccc2)n1	119048613	GJZHLNTZEDKAQX-CYBMUJFWSA-N	300.362	1.451	50	20	DDGD	
CC(C)(C)[S@](=O)CCNC(=O)NNc1ccc(Cl)nn1	116968017	QYUOZHPSGDXZHL-FQEVSTJZSA-N	319.818	1.303	50	20	DDGD	
CCC[C@H](NS(=O)(=O)c1ccc(CCl)cc1)C(N)=O	311900867	AJCPZCQSAAOGCF-NSHDSACASA-N	304.799	1.358	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNC(=O)c1cccc(OC(F)F)c1	125163419	ZTRHKIGXWHSCCN-AWEZNQCLSA-N	316.304	1.600	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(C)cc1Br	121987964	FZYKZWSIJMVUAT-UHFFFAOYSA-N	300.156	1.721	50	20	DDGD	
C[C@H](C[S@](C)=O)NC(=O)NNC(=O)c1cccc(Cl)c1	183607837	XEBLRWOWBBJUPI-SQFXPLBJSA-N	317.798	1.051	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cccc(C)c2)nc1	124292935	VBJGNGVYMSZJFR-UHFFFAOYSA-N	300.318	1.480	50	20	DDGD	
CCOc1ncccc1C(=O)NNC(=O)c1ccc(Cl)nc1	77248585	XFGGWVSLLHZOGX-UHFFFAOYSA-N	320.736	1.604	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCOc1cccnc1	74632055	PHFCXILROPZHDS-UHFFFAOYSA-N	322.796	1.943	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2cnn(C)c2C)cc1	120777197	HSOVAKGGHOYZOW-UHFFFAOYSA-N	318.402	1.590	50	20	DDGD	
Cc1cc(CC(=O)NNc2ccc([N+](=O)[O-])cc2Cl)n[nH]1	125590673	GMDCAEMONGPUOZ-UHFFFAOYSA-N	309.713	1.966	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(Cl)c1	124819481	ZYADBLCGCVJELE-MRVPVSSYSA-N	311.769	1.780	50	20	DDGD	
NC(=O)c1ccc(OCC(=O)NNc2ccc(Cl)cc2)cc1	120184380	PHTWRTGBYAGHRE-UHFFFAOYSA-N	319.748	1.961	50	20	DDGD	
O=C(CCc1nc(-c2ccco2)no1)NNC(=O)c1ccc[nH]1	127702180	RQXCOXQHLJQEGQ-UHFFFAOYSA-N	315.289	1.052	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cccc(-n2cccn2)n1	129423149	NRQRGVILAOTLEJ-UHFFFAOYSA-N	318.406	1.175	50	20	DDGD	
O=C(CCCc1c[nH]c2ccccc12)NNC(=O)[C@@H]1CCCO1	32262889	MTEBYCHMLRAAHP-HNNXBMFYSA-N	315.373	1.817	50	20	DDGD	
CN(NC(=O)c1csc(-c2ccc(F)c(F)c2)n1)C(N)=O	182966383	RHIHATPGTQWGKQ-UHFFFAOYSA-N	312.301	1.744	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1ccnc(Cl)c1	78192702	BWLCGTLKJDFUCO-UHFFFAOYSA-N	319.748	1.713	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2cc(C)ccc2C)n1	181519416	PSAXKQOSILYPAB-UHFFFAOYSA-N	314.345	1.789	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC2(N(C)C)CCCCC2)o1	84141758	KLGMTEUJBNDLFA-UHFFFAOYSA-N	322.409	1.797	50	20	DDGD	
O=C(Cc1ccccc1)NCC(=O)NNc1cccnc1Cl	85683536	GFJJMJMMNCMOSF-UHFFFAOYSA-N	318.764	1.537	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CN(C)C)c1Br	190919803	ATJRJQXOCTVQTE-UHFFFAOYSA-N	320.212	1.142	50	20	DDGD	
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)C(C)C	42017067	GERNIKSRGYCJLN-NSHDSACASA-N	315.414	1.729	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NC2CCSCC2)cc1	195471864	CPTWVUUAPYVHEN-UHFFFAOYSA-N	304.375	1.398	50	20	DDGD	
CCNC(=O)NNC(=O)COc1ccc(Cl)c(Cl)c1	49165019	MVIXWWQOAKFCET-UHFFFAOYSA-N	306.149	1.723	50	20	DDGD	
CN1C(=O)CCc2cc(/C=C(/C#N)S(=O)(=O)N(C)C)ccc21	195320338	FLGPMUSUIQAYCF-LCYFTJDESA-N	319.386	1.351	50	20	DDGD	
COc1cc(F)cc(CNC(=O)NNC(=O)c2ccc[nH]2)c1	91925128	MCGFLJGVQVVWEI-UHFFFAOYSA-N	306.297	1.307	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccc(F)cc2C1)c1ccccc1	90066860	GWOSFJBPYZVIIV-ZDUSSCGKSA-N	314.316	1.838	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccncc2)ccc1OCC#N	254438973	IZISYDXMSFCUFR-UHFFFAOYSA-N	310.313	1.756	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NNC(=O)CCCc1ccccc1	263932321	LDGUCSJJIXQAPG-UHFFFAOYSA-N	320.393	1.417	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc2c(c1)N(C)C(=O)CO2	266416820	HOFHRPWFHQLKBN-CSKARUKUSA-N	301.302	1.424	50	20	DDGD	
O=C(C[C@H]1COC(=O)C1)NNc1ccc(Cl)cc1[N+](=O)[O-]	268849823	VZPGRBYLTPSIFI-SSDOTTSWSA-N	313.697	1.645	50	20	DDGD	
COc1ccccc1C1(C(=O)NNc2ncnc3nc[nH]c23)CC1	266468486	NNISPGKIJAECPR-UHFFFAOYSA-N	324.344	1.536	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc(OC2CCOCC2)cc1	266076601	FXLPFPCPJBETQX-UHFFFAOYSA-N	318.373	1.806	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H]1CCN(C(=O)OC(C)(C)C)C1	264833087	ZTEOLKSOQALOFV-LMMOQWNQSA-N	309.366	1.556	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1cc(F)ccc1Cl	264180077	YHNFFCVMOHYOQZ-UHFFFAOYSA-N	308.762	1.835	50	20	DDGD	
O=C(NCc1ccc(OC(F)F)cc1)NNC(=O)C1CCC1	264712106	DWUBYXKOBTVRGO-UHFFFAOYSA-N	313.304	1.919	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C2CCC2)cc1OC	264767321	NQDHSLIPCLEOOW-UHFFFAOYSA-N	306.362	1.584	50	20	DDGD	
Cc1nc2ccc(NC(=O)C(=O)NNC(=O)CC(C)C)cc2o1	274182146	OYQSILSUWQQNNA-UHFFFAOYSA-N	318.333	1.268	50	20	DDGD	
CC[C@H]1C[C@H](CC(=O)NNC(=S)Nc2ccccn2)CCO1	273069466	FIUQRBCJUWVOJT-NEPJUHHUSA-N	322.434	1.995	50	20	DDGD	
Cc1cccnc1NNC(=O)c1ccnc(O[C@@H]2CCOC2)c1	276676075	DSRQUWUKOPDDBW-CYBMUJFWSA-N	314.345	1.710	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NNc1ccc2ccccc2n1	271958050	FFWXQYVZRUWSJW-CYBMUJFWSA-N	314.389	1.646	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccc(NC(=O)NC(C)C)c1	271438745	RIBZLCZESJAQRH-UHFFFAOYSA-N	321.381	1.523	50	20	DDGD	
Cn1nc([C@H]2CCCO2)cc1NC(=O)NNC(=O)C1CCC1	279086151	UTOIXWLZIOOFRC-LLVKDONJSA-N	307.354	1.224	50	20	DDGD	
C[C@H]1CCCN(C[C@H](C)NC(=O)NNc2ncccc2F)C1	286885494	DOAZJYGWMWFHFG-RYUDHWBXSA-N	309.389	1.967	50	20	DDGD	
CC1(C)CC[C@H]1NC(=O)NNC(=O)COc1ccccc1F	286724806	RDRRTADCLRYDRD-GFCCVEGCSA-N	309.341	1.724	50	20	DDGD	
C=C(CBr)CN(CCC)[C@H]1CC(=O)N(C)C1=O	282540051	RGLZPMGQBDBCBZ-JTQLQIEISA-N	303.200	1.407	50	20	DDGD	
Cc1nn(C)c(C)c1CC(=O)NNc1cccc(F)c1[N+](=O)[O-]	280657795	OHVUVKFIIKCGPO-UHFFFAOYSA-N	321.312	1.770	50	20	DDGD	
C=C(CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1)c1ccccc1	288114778	VVOZNBYOKDJHHA-OAHLLOKOSA-N	323.418	1.081	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C(C)C)cc1	282581975	DQIGJYNYPMMSFY-UHFFFAOYSA-N	305.378	1.763	50	20	DDGD	
C[C@@H]1COCC[C@@H]1CNC(=O)NNC(=O)Cc1ccc(F)cc1	286655870	AGXUWPUEVSCAIO-DGCLKSJQSA-N	323.368	1.371	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CN2CCCC2=O)c(Cl)c1	283777174	QPYIRUPGTFZKRG-UHFFFAOYSA-N	324.768	1.424	50	20	DDGD	
Cc1nnc(CCNC(=O)NNc2c(F)cccc2F)s1	292236547	GCJPBOHRTLRDHE-UHFFFAOYSA-N	313.333	1.994	50	20	DDGD	
O=C(NCCSc1ccccc1)NNC(=O)[C@@H]1CCCCO1	296155964	JZBUKBNSHUXHHR-ZDUSSCGKSA-N	323.418	1.678	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCCN1CCc2ccccc21	298752247	XWKAXZYJHFAANE-UHFFFAOYSA-N	318.421	1.816	50	20	DDGD	
CCCCOCCNC(=O)NNC(=O)COc1cccc(C)c1	299496266	KINCFSGUOUGZDL-UHFFFAOYSA-N	323.393	1.521	50	20	DDGD	
CCc1nc(CNC(=O)NNc2ncnc3ccsc23)n[nH]1	297562037	RYZMWGNFPDFVMT-UHFFFAOYSA-N	318.366	1.198	50	20	DDGD	
CC(C)c1nnc2ccc(NC(=O)NNc3ncccn3)cn12	801743404	LDPPEYXXOKJLGC-UHFFFAOYSA-N	312.337	1.791	50	20	DDGD	
COc1cccc([C@@H](C)NC(=O)NNC(=O)[C@@H]2CCCCO2)c1	296287649	JIYRKBKNJREBFO-RISCZKNCSA-N	321.377	1.656	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C(C)(F)F	292743865	QZBINFLXZCZRHH-SSDOTTSWSA-N	301.249	1.647	50	20	DDGD	
CNC(=O)NCCC(=O)NNc1ncc(Cl)cc1Cl	293449729	JCRZVJDHTJPUOV-UHFFFAOYSA-N	306.153	1.151	50	20	DDGD	
N#Cc1ccc(Cl)c(C(=O)NNc2cc(Cl)nc(N)n2)c1	803097189	PRKWRVPETAYWPQ-UHFFFAOYSA-N	323.143	1.994	50	20	DDGD	
Cc1nnsc1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	299290291	PLTNKCDZJUOCEY-UHFFFAOYSA-N	320.418	1.824	50	20	DDGD	
CC(C)(C)n1cnc(C(=O)NNc2nnc(C3CC3)s2)n1	291888027	JTNJEEAWKDISJI-UHFFFAOYSA-N	307.383	1.519	50	20	DDGD	
CCn1cc(CNC(=O)NNC(=O)c2ccccc2F)cn1	805389249	XAUPYRSDPQGBBK-UHFFFAOYSA-N	305.313	1.186	50	20	DDGD	
COc1ccc(CCCC(=O)NNC(=O)c2ccc[nH]2)cc1	299415184	RQLYZPOJLIKOFT-UHFFFAOYSA-N	301.346	1.807	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H]1CCCN1C1CC1	805380595	DUBFEHCRJWNQGN-CQSZACIVSA-N	304.350	1.973	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2ccc(-n3ccnc3)nn2)s1	804953881	HWVUJIKKMUZISC-UHFFFAOYSA-N	311.330	1.352	50	20	DDGD	
C[C@@H](Cc1ccccc1F)C(=O)NNC(=O)N=c1cc[nH]cc1	802029449	NHEHKKMPDZZGMB-NSHDSACASA-N	316.336	1.674	50	20	DDGD	
CC(C)CN1CCC(NC(=O)NNc2ncncc2F)CC1	292908215	FUVVJVJWQPVJOG-UHFFFAOYSA-N	310.377	1.362	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccc(C)nc2O)cc1	802058794	NDFNXYDQFICJCQ-UHFFFAOYSA-N	316.317	1.571	50	20	DDGD	
O=C(NCc1ccc([N+](=O)[O-])cc1)NNc1ncccc1F	804937882	KTHPIRDNUSMSOX-UHFFFAOYSA-N	305.269	1.955	50	20	DDGD	
O=C(CCN1CCCCCC1)NN=Cc1c[nH]c(C(=O)O)c1	814757885	BDQWYOKXBHLOCG-UHFFFAOYSA-N	306.366	1.429	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)Nc1nc2cc(Cl)ccn2n1	810248746	DACXEWQFXURCHI-UHFFFAOYSA-N	303.713	1.348	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)Cc2cc[nH]n2)c(C)c1OC	814954659	JRURXZQKVOXJCS-UHFFFAOYSA-N	316.361	1.818	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cc(C2CC2)ccn1	810324770	UNLBYFMABKYSKU-UHFFFAOYSA-N	300.322	1.906	50	20	DDGD	
CCOc1ccc(N2C[C@H](C(=O)NN(C)C3CC3)CC2=O)cc1	819641329	RLVSZOSFVREZFK-GFCCVEGCSA-N	317.389	1.564	50	20	DDGD	
COc1cc(C(=O)NN=Cc2ccn(C)n2)ccc1OC(C)C	814755295	AXJINJIGMXFCGA-UHFFFAOYSA-N	316.361	1.980	50	20	DDGD	
C[C@@H]1C(=NNC(=O)c2ccnnc2)CC[C@H](C(=O)O)C1(C)C	817341663	WFCRQOQGTKOYLC-MWLCHTKSSA-N	304.350	1.719	50	20	DDGD	
CCCN(CC)C[C@H](C)NC(=O)NNC(=O)c1ccccc1O	812701604	AKLKGNHJBUZTJP-LBPRGKRZSA-N	322.409	1.457	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)c1cnnn1C	814859044	IIOHGEYYJVIZQA-UHFFFAOYSA-N	302.294	1.059	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)CCCC1CC1	812445264	ORYHNJPBUSFFDU-UHFFFAOYSA-N	306.362	1.802	50	20	DDGD	
Cc1nc(O)nc(O)c1CCC(=O)NNc1ccc(F)cc1F	817955249	UHDSCSUEYOLEFE-UHFFFAOYSA-N	324.287	1.550	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)c1c[nH]c(-c2nn[nH]n2)c1	826445607	BDKHEVYJUJOMLY-UHFFFAOYSA-N	304.701	1.000	50	20	DDGD	
CCCN(CC)Cc1ccc(C(=O)NN(C)[C@@H](C)CO)cc1	823965212	KQFOOCZJSQYFSJ-AWEZNQCLSA-N	307.438	1.876	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2C[C@@H]2c2sccc2C)nc(N)n1	828371872	OLONEEMWKVKJDG-VHSXEESVSA-N	303.391	1.984	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H](C)C[C@@H](C)O)cc(C#N)n1C	490844104	PJGGOQHZRVQMJX-SEPRXUMMSA-N	300.362	1.388	50	20	DDGD	
O=C(C[C@H]1CNCCO1)NN=C(c1ccccc1)c1ccccc1	825858651	LAGWTFANNXIZHC-KRWDZBQOSA-N	323.396	1.934	50	20	DDGD	
C[C@@H]1CCC[C@]1(C)C(=O)NNC(=O)COc1ccc(C#N)cc1	822195876	LBSGCVTUMOJUNC-PXAZEXFGSA-N	315.373	1.911	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)c1cncs1	729454240	MGNCMNSSBSVMHN-UHFFFAOYSA-N	300.343	1.559	50	20	DDGD	
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NN(C)[C@@H](C)CO	823983090	KVOQSAYXZQVHAI-JTQLQIEISA-N	322.796	1.792	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1c[nH]nc1-c1cccnc1	728786050	CALJEUSCPQUONR-UHFFFAOYSA-N	306.329	1.560	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=C1COc2cc(F)ccc21	495718494	FQWVXKMIPZKIAN-UHFFFAOYSA-N	323.324	1.563	50	20	DDGD	
COC[C@H](OC)C(=O)NNC(=O)c1c(Cl)cccc1Cl	825768803	YXAGCMLMMUQFLA-VIFPVBQESA-N	321.160	1.416	50	20	DDGD	
Cc1cc(Cl)ccc1O[C@H](C)C(=O)NN(C)[C@@H](C)CO	823987380	GXSXQPMMEDSHKE-WDEREUQCSA-N	300.786	1.760	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCOc1ccc(F)c(Cl)c1	823971134	PHRRICMJFICGJF-VIFPVBQESA-N	304.749	1.592	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(C)cc(Br)c1	823874037	KUQNBUHQXMEOMV-UHFFFAOYSA-N	301.184	1.717	50	20	DDGD	
OB(O)c1ccc(CNCc2ccccc2OCC2CC2)o1	585028863	OLAGBOZFRFCRQI-UHFFFAOYSA-N	301.151	1.038	50	20	DDGD	
C[C@@H](CCCC(F)(F)F)NC(=O)c1ccc(B(O)O)c(F)c1	584983098	PHZYYGBIVWLLOH-QMMMGPOBSA-N	321.079	1.356	50	20	DDGD	
OB(O)c1cccc(CNC[C@@H]2CCCN2Cc2ccccc2)c1	585027988	FRLQMIITWNKKKI-IBGZPJMESA-N	324.233	1.121	50	20	DDGD	
CCN(CC)[C@H](CNCc1ccc(B(O)O)cc1)c1ccco1	585019207	FUIKKVGREKYHMW-MRXNPFEDSA-N	316.210	1.132	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cnc1Cl	831546300	SVNKHCRFTBAJJM-WPRPVWTQSA-N	312.757	1.621	50	20	DDGD	
CNC(=O)/C(C#N)=C/c1ccc(OC)c2oc(C(=O)O)cc12	830968876	WAUHMIVBZXXXAT-WEVVVXLNSA-N	300.270	1.793	50	20	DDGD	
CCCn1ncc(NC(=O)NNC(=O)c2ccc[nH]2)c1C1CC1	836713720	MYRXLRZBCBNSNB-UHFFFAOYSA-N	316.365	1.965	50	20	DDGD	
C[C@]1(C(=O)NNc2ncnc3[nH]cnc23)C[C@@H]1c1ccccc1	839686117	LCQRDSRICWYGSS-BZNIZROVSA-N	308.345	1.990	50	20	DDGD	
C[C@@H]1C[C@@H](C)N(CC(=O)NNC(=O)c2ccc(C#N)cc2)C1	839493128	FOJYVEBLLNLAAN-VXGBXAGGSA-N	300.362	1.050	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H](C)c2ccnc(O)c2)n1	838618082	KTRVHVYYQYWNIG-SNVBAGLBSA-N	302.338	1.581	50	20	DDGD	
COc1ncccc1C(=O)NN=c1sc2ccccc2n1C	906371339	JUJLCUKCADDSHU-UHFFFAOYSA-N	314.370	1.889	50	20	DDGD	
CCc1cccc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)n1	838261473	HWUFSYIJJGQFMK-LLVKDONJSA-N	321.377	1.383	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)NOCC2CC2)cc1	838606603	OWKMMMYAOMRRSW-UHFFFAOYSA-N	307.354	1.430	50	20	DDGD	
O=C([C@@H]1CCCCN1Cc1ccccc1)N1CC[C@H](B(O)O)C1	585070533	ZFYSFCVMQCQPFZ-HOTGVXAUSA-N	316.210	1.116	50	20	DDGD	
CS[C@@H]1CCC[C@H](NC(=O)NNC(=O)[C@@H]2CCCCO2)C1	838480765	CNMKVRVKTKNPTP-TUAOUCFPSA-N	315.439	1.560	50	20	DDGD	
CC(C)c1ccccc1NC(=S)NNC(=O)C1(C(N)=O)CC1	732284602	ZPUMDCWNSNRRPK-UHFFFAOYSA-N	320.418	1.393	50	20	DDGD	
CCCOc1c(Cl)cc(C(=O)NCB(O)O)cc1OCC	585058715	NSLKWPAAKXKCSQ-UHFFFAOYSA-N	315.562	1.269	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@@]2(C)CCCCO2)c1	839482816	MJGYESVKZFXPAG-MRXNPFEDSA-N	321.377	1.214	50	20	DDGD	
CCCn1nccc1C(=O)NNc1ccc(C(=O)OC)cn1	831290593	KJBODGAVGKGRIK-UHFFFAOYSA-N	303.322	1.232	50	20	DDGD	
CC(C)[C@@H](NC(=O)O)C(=O)NNc1cnnc2ccccc12	736375843	QNCQJBVNKKOQSL-GFCCVEGCSA-N	303.322	1.365	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)c2cc3c(s2)CCC3)n1	834926640	TVOIGDUOLYKUFU-UHFFFAOYSA-N	303.391	1.921	50	20	DDGD	
CCOCCONC(=O)NNC(=O)Nc1ccc(Cl)cc1	836404299	GGUXLJQYSVKDCC-UHFFFAOYSA-N	316.745	1.644	50	20	DDGD	
COc1cc(C#N)ccc1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	831672701	PMARMMKWUPBLMM-ONGXEEELSA-N	318.333	1.145	50	20	DDGD	
Cn1ncc2c1CCC[C@@H]2NC(=O)NNC(=O)CC(F)(F)F	918071071	LZIDFAVHVSLORN-QMMMGPOBSA-N	319.287	1.080	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=C1COc2cc(O)ccc21	915948727	RLKQNMWRZQADET-UHFFFAOYSA-N	323.308	1.556	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C(C)(C)Nc1ccccc1	911503718	VWJKJFDEXUVXFZ-AAEUAGOBSA-N	305.378	1.450	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C[C@H](C)c2cnn(C)c2)cc1	839463722	DTMMTUVTHRJJHI-LBPRGKRZSA-N	314.389	1.937	50	20	DDGD	
CCCCO[C@@H]1C[C@@H](NC(=O)NNC(=O)COCC)C1(C)C	748970811	OIRUMXQHHZKGMB-VXGBXAGGSA-N	315.414	1.337	50	20	DDGD	
COC[C@@H](NC(=O)NN=c1sc2ccccc2n1C)C1CC1	749886938	RCNICFPYFOBZHG-LLVKDONJSA-N	320.418	1.780	50	20	DDGD	
CC(C)[C@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1	745025103	CVCXTJWLXPMOFS-NSHDSACASA-N	317.345	1.155	50	20	DDGD	
CCc1noc(C)c1C(=O)NNC(=O)COc1cccc(C)c1	919655772	WSQOQFKCLZVZAR-UHFFFAOYSA-N	317.345	1.694	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccc([N+](=O)[O-])c(O)c2)n1	748132416	AGFFHNVHBUUOHS-UHFFFAOYSA-N	317.305	1.264	50	20	DDGD	
CN(C)c1nc(Cl)c(C=NNC(=O)N2CCOCC2)s1	745590550	ARIXVHBNBMPQMH-UHFFFAOYSA-N	317.802	1.238	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)C(C)(C)c1ccccc1)C(C)C	743638951	UNOAXHIIWJVDSA-AWEZNQCLSA-N	321.421	1.966	50	20	DDGD	
CO[C@H](C)CCNC(=O)NNc1ncc(Br)cn1	847308067	TVPOWVUCJVEZFF-SSDOTTSWSA-N	318.175	1.290	50	20	DDGD	
COc1ccc(OCCC(=O)NNC(=O)C2CCCC2)cc1	914845092	MOWAQJNQWHTEBB-UHFFFAOYSA-N	306.362	1.802	50	20	DDGD	
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NNC(=O)CC(F)(F)F	911424169	BEFPJZSMLKKDFI-JGVFFNPUSA-N	310.272	1.066	50	20	DDGD	
C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@H]1C(=O)NN	843450492	DHSDUKJMDSECDO-MRVWCRGKSA-N	301.390	1.761	50	20	DDGD	
COc1ccc(NCC(=O)NN=Cc2c(C)nn(C)c2C)cc1	915916766	OABVSXSTYGTONG-UHFFFAOYSA-N	315.377	1.608	50	20	DDGD	
CNc1cc(C(=O)NNc2nc(C)cc(OC)n2)cc(Cl)n1	746627568	OKPDMYCEYYIYPN-UHFFFAOYSA-N	322.756	1.641	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNc1cc(O)nc2ncccc12	913990757	XAKLZFHKISAUEB-RNCFNFMXSA-N	304.350	1.840	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2ccncc2)cc1OC	747323266	POWWXFCIDPYDMV-UHFFFAOYSA-N	315.329	1.103	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)c1ccc2c(c1)OCCO2	749764556	VGPWFIKFXSNBHH-SECBINFHSA-N	309.391	1.365	50	20	DDGD	
Cc1cccc(CSCC(=O)NNC(=O)N2CCOCC2)c1	745996397	VYRWBIZGLBGZCF-UHFFFAOYSA-N	323.418	1.301	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CC[C@H]([C@@H]2CCOC2)C1	749770544	WYTDDKDLNCXVDX-UONOGXRCSA-N	317.389	1.708	50	20	DDGD	
CCCOc1cccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	843641950	DRBPBSFEDIZOSL-SMDDNHRTSA-N	306.362	1.661	50	20	DDGD	
CSSCCNC(=O)[C@@]1(c2ccccc2)CCC(=O)NC1	848052960	LBRGXNAMYJCFRT-HNNXBMFYSA-N	324.471	1.962	50	20	DDGD	
CC(=NNC(=O)c1c[nH]nc1C)c1cnn(-c2ccccn2)c1C	748252583	VTDRIGQNVVKCSV-UHFFFAOYSA-N	323.360	1.761	50	20	DDGD	
CC1(C)C(=NNC(=O)CNC(=O)c2ccco2)[C@H]2CCCO[C@H]21	743438693	OSONIUJCGODBSF-QMTHXVAHSA-N	319.361	1.317	50	20	DDGD	
Cc1cscc1NC(=O)NNC(=O)COc1ccccc1O	748686588	SQDGGJIFGQGKRN-UHFFFAOYSA-N	321.358	1.994	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H](c1ccccc1)N1CCCCC1=O	910163514	DULNNGNKBDSWFK-BBRMVZONSA-N	319.405	1.084	50	20	DDGD	
Cn1nc(C2CC2)nc1CC(=O)NNc1ccc(F)cc1F	843830172	ARESOOMVJBXXSB-UHFFFAOYSA-N	307.304	1.657	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc2c1ccn2C	843647759	NOTIWFKXKYWQIY-GHMZBOCLSA-N	301.346	1.364	50	20	DDGD	
COc1ccc(CCC(=O)NN=C(C)c2ccn(C)n2)cc1	841621099	RQJMIRVGKCEDJT-UHFFFAOYSA-N	300.362	1.902	50	20	DDGD	
NC[C@@H]1CC[C@H](NC(=O)NNC(=O)c2cc3ccccc3o2)C1	842011391	UEOURBOPTOJKQJ-PWSUYJOCSA-N	316.361	1.504	50	20	DDGD	
COCCCNC(=O)NN=C1CCc2c1cccc2[N+](=O)[O-]	848404075	JHFYNMRZKJWLGM-UHFFFAOYSA-N	306.322	1.581	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H](C)N1CCc2ccccc21	843660433	KGDZGYNRDKAXSI-SGMGOOAPSA-N	317.389	1.010	50	20	DDGD	
CCC[C@@H](C)CC(=O)OCC(=O)NNC(=O)c1ccccc1	748957638	LCPSQRMQBPCPSA-GFCCVEGCSA-N	306.362	1.817	50	20	DDGD	
CC1=C(C(=O)OCC(=O)NNC(=O)c2cccs2)CCC1	747150587	VEAJYMNMFCZGAH-UHFFFAOYSA-N	308.359	1.553	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=C1CCOc2c(F)ccc(F)c21	842560348	GBCUWGWTJWYZML-BDAKNGLRSA-N	310.300	1.993	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1CNC(=O)NNC(=O)c1ncccn1	841588135	ZLZLACJJMWCICU-NEPJUHHUSA-N	305.382	1.637	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc2c(c1)OCCO2	740762248	HQBJRSYBVWERBM-UHFFFAOYSA-N	319.361	1.213	50	20	DDGD	
CCN1C[C@H](CNC(=O)NNc2cccc([N+](=O)[O-])c2)CC1=O	845491043	CFOAACYZOKWXGM-JTQLQIEISA-N	321.337	1.089	50	20	DDGD	
C[C@H](CCO)C1(CNC(=O)NNC(=O)C2CCCC2)CCC1	753175453	LEEBYZZWUZIQTB-GFCCVEGCSA-N	311.426	1.696	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc(F)cc2nc(S)[nH]c12	920858773	ALJFESXSZKANAQ-UHFFFAOYSA-N	323.353	1.345	50	20	DDGD	
C[C@H](C[S@](C)=O)NC(=O)NC[C@@]1(C)C[C@@H]1Br	856850774	ZYBXKWFWGCYFQM-CCMBDNGGSA-N	311.245	1.226	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)CC2(C#N)CC2)C[C@H]1Br	856754326	GQMNHQXTSFNZOD-BDAKNGLRSA-N	307.213	1.383	50	20	DDGD	
COC[C@]1(CO)CCN(C[C@H](CBr)C2CC2)C1	859326361	MGRARPBASJUWJM-QWHCGFSZSA-N	306.244	1.738	50	20	DDGD	
Cc1noc(CCCNC(=O)NNc2ccc(Cl)cn2)n1	852046248	RBAMZGCCQSHIOB-UHFFFAOYSA-N	310.745	1.685	50	20	DDGD	
O=C(NN=C[C@@H]1CCc2ccccc21)N[C@@H]1CCS(=O)(=O)C1	755664729	PXDFTTPYNIOTSD-QWHCGFSZSA-N	321.402	1.189	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)CCc2ccncn2)o1	756818351	LWKSAQRHFQKSLX-UHFFFAOYSA-N	300.322	1.536	50	20	DDGD	
Cc1nn(C)c(C)c1CC(=O)NC[C@]1(C)C[C@H]1Br	857402760	KWJUKBNPRMLUCT-YPMHNXCESA-N	314.227	1.869	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@H](O)C1CC1	854196470	AFZAQOPDHBPZSU-DRHNTUNPSA-N	306.406	1.511	50	20	DDGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1cn(C)nn1	755550204	FMVCWDMNYOOKRO-GFCCVEGCSA-N	323.356	1.886	50	20	DDGD	
COC(=O)NCCC(=O)OC[C@H](CBr)C1CC1	859558545	JBDYXJDYPKAJFJ-VIFPVBQESA-N	308.172	1.697	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NNc1ccc(Cl)cc1C	928339411	FUBNRURTOGERGX-UHFFFAOYSA-N	304.799	1.916	50	20	DDGD	
CCCn1nc(C)c(C=NNC(=O)Cn2nc(C)cc2C)c1C	755564143	JREMIECDUHECNO-UHFFFAOYSA-N	316.409	1.874	50	20	DDGD	
Cn1nncc1NNC(=O)C1(CCOCc2ccccc2)CC1	857272826	HSXHFYJZCAHQNF-UHFFFAOYSA-N	315.377	1.645	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)c2cnn(C)c2)C[C@@H]1C	758109712	KDNONEPWALVYDZ-GXFFZTMASA-N	306.366	1.505	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)NC/C=C\CO)c1C	855404099	QNCLQFOWHXTGRQ-GRKCCUCSSA-N	317.389	1.323	50	20	DDGD	
CCOCCn1cc(C(=O)NNc2ccc(Cl)nn2)cn1	857129173	FGAFOULSCXTXFH-UHFFFAOYSA-N	310.745	1.120	50	20	DDGD	
CO[C@H](CNC(=O)NC[C@]1(C)C[C@@H]1Br)C1CC1	856859925	VDUFBJYTULLBCB-SCVCMEIPSA-N	305.216	1.884	50	20	DDGD	
CCCCCCOCC(=O)NNC(=S)N[C@H](C)C1CC1	855100755	ILVAGDJMGZRWLU-LLVKDONJSA-N	301.456	1.877	50	20	DDGD	
CN(C)c1ncccc1C(=O)NNC(=O)OCC(F)(F)F	856024166	KTZSAFXXPUHNSL-UHFFFAOYSA-N	306.244	1.081	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N[C@H]1C[C@H](OC)C1)c1ccccc1	858984514	RABVXMAAZSUGFU-MGPQQGTHSA-N	305.378	1.688	50	20	DDGD	
CNC(=O)Cc1ccc(NC(=O)NNC(=O)CC(C)(C)C)cc1	755663302	HJPROVOGUYXCBB-UHFFFAOYSA-N	320.393	1.564	50	20	DDGD	
O=C(CNc1ccccc1F)NN=Cc1cnc2ncccn12	755505778	UKCKTCYMJBDORL-UHFFFAOYSA-N	312.308	1.431	50	20	DDGD	
NC(=O)N1CCC[C@H]1C(=O)NNc1cc(F)cc(Cl)c1	855618606	LLHAQDCYVIZPAD-JTQLQIEISA-N	300.721	1.465	50	20	DDGD	
CC(CCc1ccccc1)=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	853387368	WAOXWODJSSVODW-SJORKVTESA-N	315.417	1.975	50	20	DDGD	
O=C(NN=Cc1cccc(F)c1OC(F)F)C(=O)NC1CC1	853282958	XOSQOJRIPOJWHX-UHFFFAOYSA-N	315.251	1.156	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cnn(CC)c1-c1ccccc1	756810970	AGRCDBJRSSVFNR-UHFFFAOYSA-N	315.377	1.924	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NN=C1CCC(O)CC1	853372912	DBNSKNMKDOSBRQ-ILMHWDKJSA-N	320.393	1.295	50	20	DDGD	
Cc1ccc(/C=C/C(=O)NNC(=S)N[C@@H](C)C2CC2)cn1	855098020	ABTKIJOGGRNYGJ-BWNDKRECSA-N	304.419	1.697	50	20	DDGD	
O=C(NCC1SCCS1)NNc1ncc(Cl)cn1	856921892	GEDXMDIIAWGINK-UHFFFAOYSA-N	305.816	1.562	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1cccc(C(=O)OC)c1C	855627028	FIZWNMMDSZJIQT-GFCCVEGCSA-N	324.377	1.666	50	20	DDGD	
C[S@@](=O)c1cccc(NC(=O)NNC(=O)c2ccncc2)c1	756523808	FEVAOQDYJHAWEW-JOCHJYFZSA-N	318.358	1.286	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ncccc1O	750663924	RHFSGUMGGGCOFY-VIFPVBQESA-N	319.292	1.155	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CC(F)(F)F)cnn1CCC(C)C	750537065	AIKPHAWMZCPPDX-UHFFFAOYSA-N	320.315	1.951	50	20	DDGD	
C=CCNC(=S)NNC(=O)C[C@@H](n1cccn1)C(F)(F)F	854185673	GMYSOASYNDGSAX-MRVPVSSYSA-N	321.328	1.058	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1cnc2c(c1)CCCC2	757994666	HYQOQXBWPUQWTF-UHFFFAOYSA-N	313.361	1.765	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C[C@@](C)(O)C2CC2)c1	755403872	HBYHNXYGNOKOJI-MRXNPFEDSA-N	322.361	1.016	50	20	DDGD	
Cc1ccc(Br)c(C(=O)NNC(=O)NC2CC2)n1	930721081	WFDZQEPYEUDNCL-UHFFFAOYSA-N	313.155	1.259	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1cc(F)ccc1Cl	756342171	ONAPIGXBRNLXSQ-UHFFFAOYSA-N	309.688	1.736	50	20	DDGD	
O=C(CCN1C(=O)CCC1=O)NNc1cccc(F)c1Cl	862506384	WGZPBNXZJYAELI-UHFFFAOYSA-N	313.716	1.461	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cnn2ccccc12	863095823	NHNOAEVSPSRYRO-UHFFFAOYSA-N	308.210	1.766	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=CC1CCC(C(F)(F)F)CC1	767358945	DZCAOXWPDBVKHY-UHFFFAOYSA-N	307.316	1.982	50	20	DDGD	
CC(=O)N1CCC(NC(=O)[C@H](Br)C(C)(C)C)CC1	766988495	PDFVJPUENGNCJJ-NSHDSACASA-N	319.243	1.923	50	20	DDGD	
CC(C)(C(=O)NNc1cccnn1)c1ccc([N+](=O)[O-])cc1F	762678424	RIIQQMCNSBWBOW-UHFFFAOYSA-N	319.296	1.945	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)[C@H](C)c1ccncc1	769927506	XVBJQEGSZHXBKU-CHWSQXEVSA-N	306.410	1.656	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@]1(C2CCCC2)CCNC1=O	861735427	QOOJTLAXSZQTTL-ZDUSSCGKSA-N	307.221	1.945	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cccn2)nc1	768249951	GSKRWYULASGAJK-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
COc1ccc(NC(=O)NNc2nccnc2OC)c(C)c1	764652143	QFDGYEIGGAGTOX-UHFFFAOYSA-N	303.322	1.951	50	20	DDGD	
O=C(NCCc1cscn1)NNC(=O)c1ccccc1F	769195474	RFXHEOLKSUPRKJ-UHFFFAOYSA-N	308.338	1.469	50	20	DDGD	
CC1CCN(C[C@H](C)C(=O)NN=C2CCN3CCC[C@H]23)CC1	765570726	VUYXEGBXLBMRJT-GOEBONIOSA-N	306.454	1.695	50	20	DDGD	
O=C(NNC(=O)c1csc(C2CCCCC2)n1)c1cn[nH]c1	862469989	XEVWRFNCWPKGSJ-UHFFFAOYSA-N	319.390	1.989	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNC(=O)Nc2ccccc2)n1	868116910	WIDVJTSLURACEH-NSHDSACASA-N	301.350	1.681	50	20	DDGD	
Cc1csc(C(=O)NN=C2CCCc3nc(N)ncc32)c1	863156815	LUQGSXRNKFOZLA-UHFFFAOYSA-N	301.375	1.899	50	20	DDGD	
CNC(=O)CCCCC(=O)NNCC(F)(F)C(F)(F)F	863100980	CWDUGTQUCODFSC-UHFFFAOYSA-N	305.247	1.111	50	20	DDGD	
COC(=O)[C@](C)(O)CNC(=O)CCCC[C@@H]1CCSS1	763279151	JJXPSJAOXDLWDI-ZWNOBZJWSA-N	321.464	1.741	50	20	DDGD	
CC(C)(C)C1CCC(=CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1	862457476	KHYLJFMYYWALEB-ABLWVSNPSA-N	321.421	1.575	50	20	DDGD	
COCCOCC(=O)NNC(=O)[C@H](C)c1ccc(Cl)cc1	869902987	DYOSVDQPFKIQLU-SNVBAGLBSA-N	314.769	1.254	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCCNC2=O)c1C	864452254	OIQPGGGYCUJJDJ-LLVKDONJSA-N	320.418	1.147	50	20	DDGD	
CCCNC(=O)NNC(=O)C[C@H]1COc2cc(OC)ccc21	760383241	XNADHGZJAXNFGP-JTQLQIEISA-N	307.350	1.302	50	20	DDGD	
CN1C(=O)COc2ccc(C(=O)NCC(Cl)Cl)cc21	861696829	QBUHVVRSARZLAA-UHFFFAOYSA-N	303.145	1.575	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2ccc(C(N)=O)cc2)c1	769065073	QYNLSLSWHNVCEK-UHFFFAOYSA-N	315.720	1.462	50	20	DDGD	
CCNc1nc(C(=O)NNc2ccc(C(=O)OC)cn2)cs1	760791219	UGAKAFMHDKKMHR-UHFFFAOYSA-N	321.362	1.513	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(/C=C(/C#N)C(=O)NC2CC2)c1C	863178168	DWROGBHTVLXTSI-XFFZJAGNSA-N	301.346	1.994	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1nnc2ccccc2c1O	768499578	JCQNWWDZXXWVBX-UHFFFAOYSA-N	320.312	1.969	50	20	DDGD	
CCOC(=O)c1ccc(C=NNC(=O)Cc2nc(C)cs2)[nH]1	872338910	QFQOFTVYNATHSE-UHFFFAOYSA-N	320.374	1.649	50	20	DDGD	
CCCSc1nsc(NC(=O)NN(C)CCOC)n1	878944657	BJGZJGBHRQJPCV-UHFFFAOYSA-N	305.429	1.655	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H]1CCCN1Cc1ccccc1	875292347	XKRWVWSSCQZYSY-CQSZACIVSA-N	320.393	1.563	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCc2cnccn2)cc1	774782372	OSLPCQIWWYMKDN-UHFFFAOYSA-N	313.361	1.226	50	20	DDGD	
NC(=O)Nc1ccc(C(=O)NNc2cc(Cl)ccn2)cc1	778452883	DBUPKZQWBINMSA-UHFFFAOYSA-N	305.725	1.983	50	20	DDGD	
Cc1onc(CC(=O)NNC(=O)c2c[nH]c3ccccc23)c1C#N	779385893	WATVSAZIELYWFC-UHFFFAOYSA-N	323.312	1.340	50	20	DDGD	
COc1ccc2c(c1)nc(CNC(=O)NNC(=O)C(C)C)n2C	770565707	ZONSEPUAOZJTKD-UHFFFAOYSA-N	319.365	1.068	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@H]1CCOC2(CCOCC2)C1	1118100852	XGZGZHLURJTEED-NSHDSACASA-N	313.398	1.091	50	20	DDGD	
CON(C)C(=O)[C@H](C)NC(=O)NNc1cc(F)c(F)cc1F	875898760	OIIWQRLLGYCCPK-LURJTMIESA-N	320.271	1.138	50	20	DDGD	
Cc1cccc(NNC(=O)NCCCN(C)CC(F)(F)F)n1	875097941	RYIRGRRHGGSJDS-UHFFFAOYSA-N	319.331	1.900	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)cc1	772047956	SLUIUJOUPLHARN-AWEZNQCLSA-N	306.362	1.804	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)C1CCOCC1)OCO2	1119303220	NGSBNKBSXMYRCI-UHFFFAOYSA-N	306.318	1.301	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCCc1cccs1	771930437	UAVKGACFVHJDHK-SNVBAGLBSA-N	312.391	1.560	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](CC)Nc1ccccc1	772116462	SIJLKFKHMYHREE-WCQYABFASA-N	321.377	1.366	50	20	DDGD	
CC(=NNC(=O)C(=O)NCc1ccc(Cl)cc1)[C@H]1CCOC1	771572757	NMSNKPKLLBONJI-LBPRGKRZSA-N	323.780	1.485	50	20	DDGD	
Cn1cc(C(=O)NNc2nc3ccccn3n2)c(C(F)F)n1	1116767801	SSEDRFOERSROQI-UHFFFAOYSA-N	307.264	1.157	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNS(=O)(=O)CCC1CCCCC1	872373828	KYEDXSYNEJTTIA-DGCLKSJQSA-N	318.439	1.332	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)N[C@@H](CO)CC1CC1	778649433	IRKSCEDBGDVLDI-OAHLLOKOSA-N	319.405	1.501	50	20	DDGD	
C=Cn1cc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])cn1	773018719	OAGRWJRVLJMTLN-UHFFFAOYSA-N	315.289	1.421	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCC2CC2)nn1[C@@H](C)C1CC1	777372556	VJCHLNOVEPDLNU-JTQLQIEISA-N	305.382	1.517	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CCc1nc(C)no1	777827668	GXWGJQLNBWHEDU-UHFFFAOYSA-N	304.306	1.241	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1	772817718	ZQTOCGSGXMUMQQ-SNVBAGLBSA-N	303.366	1.054	50	20	DDGD	
C[C@H]1Cc2cc(C(=O)NNC(=O)C3CCOCC3)ccc2O1	883071876	PQDLTAVDYGWVJU-JTQLQIEISA-N	304.346	1.198	50	20	DDGD	
COc1cccc(C(=O)CNS(=O)(=O)CCCCl)c1	882512200	QSSFFEIVYSMALS-UHFFFAOYSA-N	305.783	1.426	50	20	DDGD	
O=C(NNC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)C1CCOCC1	883065960	DIENBEKVZXCKJO-VDQHWBOFSA-N	324.396	1.869	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=S)NC1(C)CC1	789174156	RXYGCDLDFCGVEZ-UHFFFAOYSA-N	323.418	1.512	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1ncc(Br)s1	785459717	ACJYWHJMEVBVBS-UHFFFAOYSA-N	306.185	1.517	50	20	DDGD	
CCc1csc(NC(=O)C(=O)NNC(=O)c2ccc(C)o2)n1	789739277	KVAQSMWPKFFZIQ-UHFFFAOYSA-N	322.346	1.007	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNC(=O)c1ccc[nH]1)c1ccnn1C	788320950	RZEZEFRMKYMBQM-LLVKDONJSA-N	318.381	1.132	50	20	DDGD	
COc1cccc(C(=O)NNc2ncncc2Cl)c1OC	781820723	ZNVBXSZRCHGISO-UHFFFAOYSA-N	308.725	1.904	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccccc1F)[C@H]1CCCOC1	780042643	FFKZZTDXFPQQJV-QWRGUYRKSA-N	309.341	1.585	50	20	DDGD	
O=C(C[C@H]1Oc2ccccc2NC1=O)NNc1ccnc(F)c1	781363503	FNRNOXYQBJJEFZ-GFCCVEGCSA-N	316.292	1.454	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc(C(F)(F)F)cc1C	785460462	CPUCHNBAVCLINK-UHFFFAOYSA-N	317.267	1.820	50	20	DDGD	
O=S(=O)(CBr)N[C@H](CO)c1cccc(F)c1	782461283	ZHPWHZQOXLMSFY-SECBINFHSA-N	312.160	1.131	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(OC)c(OC2CCCC2)c1	784623309	IWSZCUVTGXHNOW-UHFFFAOYSA-N	321.377	1.981	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=C[C@@H]2CCSC2)c1	782200443	RWBWIPZLGOTOJU-JTQLQIEISA-N	312.416	1.559	50	20	DDGD	
C[C@@H]1CC[C@@H](NC(=O)NNC(=O)COc2ccc(C#N)cc2)C1	780799608	ISPZORRMRZPKBU-DGCLKSJQSA-N	316.361	1.456	50	20	DDGD	
CC(=O)N[C@@](C)(C(=O)NNc1nc2ccccc2n1C)C(C)C	899096056	PEEBSKYQMOMFPF-MRXNPFEDSA-N	317.393	1.567	50	20	DDGD	
O=C(Cc1cnc[nH]1)NNC(=O)CC12CC3CC(CC(C3)C1)C2	899942677	OWGFCMINPGDWTI-UHFFFAOYSA-N	316.405	1.706	50	20	DDGD	
O=C(CN1CCCC1=O)NNC(=O)c1csc2ccccc12	785410530	FKQMVXYUQYYLKI-UHFFFAOYSA-N	317.370	1.285	50	20	DDGD	
O=C(NCc1cccc2c1OCO2)NNc1ncncc1Cl	780963072	XVRBGFSTKMSJGK-UHFFFAOYSA-N	321.724	1.685	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](C)c2cnn(C)c2)c1	780795930	VAGQBOGEYKRHLU-JTQLQIEISA-N	302.334	1.454	50	20	DDGD	
C[C@@H](CN(C)CC(=O)NNC(=O)C(C)(C)C)c1nccs1	784580337	POCGXNBPEZITGU-JTQLQIEISA-N	312.439	1.372	50	20	DDGD	
CN(C)c1nccc(NNC(=O)C(C)(C)Nc2ccccc2)n1	895277514	ZJLPADSJCPXHAU-UHFFFAOYSA-N	314.393	1.876	50	20	DDGD	
CCC[C@@H](CCCS(C)(=O)=O)C(=O)NN=c1cc[nH]cc1	790015224	COBQTBAFHRIQED-LBPRGKRZSA-N	313.423	1.188	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1cc(F)cc(F)c1	792375365	ISTGBVPGDHYQLT-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
CSSCCNC(=O)NCCS(=O)(=O)C(C)(C)C	790734250	OQLCJDQZMBUBOS-UHFFFAOYSA-N	314.498	1.510	50	20	DDGD	
Cc1ccc(C=NNC(=O)N2CCN(C)CC2)cc1[N+](=O)[O-]	790174258	QIXRNGDMVNYSHB-UHFFFAOYSA-N	305.338	1.194	50	20	DDGD	
CN1CCN(C(=O)NN=C2Cc3ccc(Cl)cc3C2)CC1	790175961	KMXMMNCZPLOMBH-UHFFFAOYSA-N	306.797	1.752	50	20	DDGD	
C=C(CBr)CN1C[C@@H](OCCOC)C[C@@H](CO)C1	791539853	IINUQNGOAXMOIK-OLZOCXBDSA-N	322.243	1.283	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNC(=O)C2CCC2)c(C)cc1C	797005222	AZAFFUPHIKMDJL-UHFFFAOYSA-N	319.361	1.198	50	20	DDGD	
COc1ccc2oc(C=NNC(=O)N3CCN(C)CC3)cc2c1	790182558	XNKKFDBUCSWBFU-UHFFFAOYSA-N	316.361	1.732	50	20	DDGD	
C=C(CBr)CN1C[C@@H](CO)C[C@@H](OCCOC)C1	791539858	IINUQNGOAXMOIK-QWHCGFSZSA-N	322.243	1.283	50	20	DDGD	
CCC[C@]1(NCC(=O)NNC(=O)c2cccc(C)c2)CCOC1	796441313	BHPOODSGDIJVIT-KRWDZBQOSA-N	319.405	1.305	50	20	DDGD	
CCc1cccc2c1OCCC2=NNC(=O)N1CCN(C)CC1	794939407	IBBHXMYJYMUGRB-UHFFFAOYSA-N	316.405	1.693	50	20	DDGD	
O=C(c1ccc(F)c(Br)c1)N1CC[C@@H](B(O)O)C1	585069346	NIPLOGPZCUBPEY-MRVPVSSYSA-N	315.935	1.277	50	20	DDGD	
CCCCSCCC(=O)NNC(=O)c1n[nH]c2c1CCCC2	1318708753	VSEZALDFDFRQAB-UHFFFAOYSA-N	324.450	1.973	50	20	DDGD	
Cc1cc(C(=O)NNc2nc(-c3ccncc3)no2)c(C)nn1	1319661816	HWPYAABNYDXERO-UHFFFAOYSA-N	311.305	1.295	50	20	DDGD	
COc1ccc(C(=O)NN=C2CCC[C@@H](S(C)(=O)=O)C2)cc1	1321115546	JCFYWUSCUPRDMQ-CQSZACIVSA-N	324.402	1.768	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)CN(C)Cc1ccccc1)C1CC1	1328430686	MLWSHXLLOHQXDO-GFCCVEGCSA-N	320.462	1.412	50	20	DDGD	
Cc1c(C(=O)NNc2ncccc2[N+](=O)[O-])ccc2cncn12	1325151604	VNDHMTOOJDCMEA-UHFFFAOYSA-N	312.289	1.703	50	20	DDGD	
CCOCc1ccc(NC(=O)NNC(=O)[C@H]2CCCCO2)cc1	1325358627	GDYQKEBFONSCMM-CQSZACIVSA-N	321.377	1.945	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1cnc(C2CC2)[nH]1	1322505997	CIZIZYJELAAEFK-UHFFFAOYSA-N	318.308	1.266	50	20	DDGD	
CN[C@H](C)CCNC(=O)NNC(=O)c1cc2c(s1)CCC2	1325324721	TZFAMCMMFMXPRB-SECBINFHSA-N	310.423	1.179	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1ccc(F)cc1O	1335285650	HPPROYCELGSENE-UHFFFAOYSA-N	318.308	1.208	50	20	DDGD	
CO[C@H]1CCC[C@H]1C(=O)NNC(=O)c1c(C)nc2ccccn12	1346405634	KSZPIFMVDWCRIS-NEPJUHHUSA-N	316.361	1.219	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H](C)c2ncccc2C)n1	1340104490	HEYPJMBYVDSXBC-GFCCVEGCSA-N	313.361	1.799	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@H]1CCCCN1C	1343036447	DALDWMWAJRJLMW-CYBMUJFWSA-N	304.394	1.423	50	20	DDGD	
CC[C@H](C)n1nccc1C(=O)NNC(=O)c1cccc(F)n1	1352388460	QAQCCMXKUILSID-VIFPVBQESA-N	305.313	1.463	50	20	DDGD	
O=C(NC[C@H]1C[C@H]1C(=O)O)NNC(=O)c1ccc(Cl)cc1	1601527405	BTPFAIVCFAKVNB-PSASIEDQSA-N	311.725	1.005	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(C(=O)O)ccc2Cl)ncn1	1607695632	KMVIOBYAJAJVIL-UHFFFAOYSA-N	306.709	1.894	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)c1F	1602448067	LWMNJNASLWIDDP-MWODSPESSA-N	324.308	1.019	50	20	DDGD	
O=C(CC[C@@H]1C[C@H](C(=O)O)CO1)NNc1cccnc1Cl	1601285048	PTFPNVNHZDXKJM-DTWKUNHWSA-N	313.741	1.448	50	20	DDGD	
Cc1oc(C(=O)O)cc1C(=O)NNC(=O)CNc1ccccc1	1600826568	XSRMGRKRSILYQY-UHFFFAOYSA-N	317.301	1.159	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2ccc(CC(=O)O)cc2)c1[N+](=O)[O-]	1607500098	JVUCEDZTCZGYPP-UHFFFAOYSA-N	319.277	1.010	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cc(O)ccc2Cl)nc1	1608904854	MGZPANYRNPMGJC-UHFFFAOYSA-N	307.693	1.896	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1ccc(OCC(=O)O)cc1	1602987569	SGGWVNZGWVQVAA-FZMZJTMJSA-N	320.345	1.415	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)Nc1ccc(F)nc1	1609559157	KCLGROAMRQGVIF-UHFFFAOYSA-N	314.284	1.549	50	20	DDGD	
C[C@@H](Cc1cnc[nH]1)C(=O)NNc1cccc(C(=O)O)c1F	1604240228	DMPDOZJDISHHKT-QMMMGPOBSA-N	306.297	1.569	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC[C@@](O)(C2(C(=O)O)CCC2)C1	1605615544	HDTKKJZIDRUNMO-DMIOIOJGSA-N	322.361	1.039	50	20	DDGD	
C[C@@H](CC(=O)O)NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	1603127233	WLXKUDQPLNWICE-JTQLQIEISA-N	321.377	1.791	50	20	DDGD	
O=C(NC[C@@H](C(=O)O)[C@@H]1CCOC1)c1cccc(CCl)c1	1601457455	UXSQKXACRKMKBT-CHWSQXEVSA-N	311.765	1.893	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cccc(C(=O)O)c2)n1	1607350788	QNRXYBPQIQTYAF-UHFFFAOYSA-N	303.278	1.332	50	20	DDGD	
CN1CCC[C@@H](NC(=O)NNc2ccc(C(=O)O)cc2F)C1	1610132247	XLALOEVGUDXZTH-SNVBAGLBSA-N	310.329	1.244	50	20	DDGD	
CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Br	1800156369	RBVSXIVCTLYFGT-UTINFBMNSA-N	307.163	1.335	50	20	DDGD	
CCn1nccc1[C@H]1OCCC[C@H]1C=NNC(=O)C(C)(C)O	1552452290	JQLBDURSQCQGJO-AAEUAGOBSA-N	308.382	1.244	50	20	DDGD	
C#CCNC(=O)NNc1cc(C(=O)O)ccc1Br	1573310930	FIHAEXWQOFUSDY-UHFFFAOYSA-N	312.123	1.407	50	20	DDGD	
CCOCc1nc(C)cc(NNC(=O)N[C@@H]2CC[C@@H](CN)C2)n1	1578127384	VCCDETRPQBYFNN-VXGBXAGGSA-N	322.413	1.075	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@H](c2ccnc(NC(=O)NN)n2)C1	1575182994	GNLVWLYMWISSOB-VIFPVBQESA-N	322.369	1.196	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@]2(C)CCNC2)cc1	1574156785	QXQHASQAFZVTAY-OAHLLOKOSA-N	307.419	1.234	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)Nc1cccnc1C(=O)O	1574579206	YLTLTMSHJORLAA-UHFFFAOYSA-N	317.261	1.837	50	20	DDGD	
CC[C@H]1NCC[C@@H]1C(=O)NNC(=O)COc1cc(C)ccc1C	1577308608	OAXRJYHDOYOPMN-UONOGXRCSA-N	319.405	1.218	50	20	DDGD	
CCN(C(=O)NC[C@]1(C)C[C@H]1Br)C1CCNCC1	1577636938	QDGZAMCJPXVQJQ-YPMHNXCESA-N	318.259	1.943	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1ccn(C)c1)C2	1845163640	JUSCNEGLPZRHQI-CYBMUJFWSA-N	323.824	1.860	50	20	DDGD	
O=C([C@@H]1CC1(F)F)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843363871	DIICOHSPOUWWPQ-JGVFFNPUSA-N	310.703	1.379	50	20	DDGD	
CC(C)/C=C/C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843367363	XBZUSDJJWGRAKY-ZYOFXKKJSA-N	302.777	1.936	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)C2CCOCC2)C1	1842760318	KTUSPBHAODGYBL-NSHDSACASA-N	318.776	1.151	50	20	DDGD	
Cn1nc(C2CC2)nc1/C(C#N)=C\c1ccc(-c2nn[nH]n2)s1	1592595796	GQJWPZBGWPXCIR-TWGQIWQCSA-N	324.373	1.998	50	20	DDGD	
COc1cncnc1NC(=O)NNc1cccc(C(=O)O)c1C	1599727638	LIBDINJNQGQLCP-UHFFFAOYSA-N	317.305	1.640	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)O)cc2)nn1	1776130518	PWRAMZYDZSLODA-FLIBITNWSA-N	324.296	1.729	50	20	DDGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3c(C(=O)O)cnn3C)nc12	1777476288	UKXMEDZOCUPYSI-WEVVVXLNSA-N	308.301	1.762	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NN=C(C)c1cc(C(=O)O)ccc1C	1776102197	JMAXDBIYWZRJST-KGLIPLIRSA-N	304.346	1.958	50	20	DDGD	
O=C(NN=Cc1cccn2c(C(=O)O)cnc12)NC1CCCC1	1776040046	LWTVTURIJFSLPD-UHFFFAOYSA-N	315.333	1.608	50	20	DDGD	
Nc1cc(C(=O)NN=Cc2cc(C(=O)O)co2)cc([N+](=O)[O-])c1	1776029182	VJPFOBAPGDWXED-UHFFFAOYSA-N	318.245	1.232	50	20	DDGD	
CC(C)CC(=O)NN[C@H](C(=O)NC1CC1)c1ccc(F)cc1	11078395	QCPNDMRQGGPNLX-HNNXBMFYSA-N	307.369	1.812	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)c2ccccc2O)cc1	17526796	DZYDTECUROSZEZ-UHFFFAOYSA-N	300.314	1.405	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCC1(C2CC2)CCC1	162904890	IIJMYCDUAHZOPF-UHFFFAOYSA-N	302.378	1.535	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(Cl)c(Cl)[nH]2)[nH]n1	153898327	ZTYSPWWNOXVAMN-UHFFFAOYSA-N	302.121	1.428	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC1(Cc2ccccc2)CCC1	154899565	CGVSHSNLOHARQX-UHFFFAOYSA-N	319.405	1.766	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)CN1CCCCCC1=O	8086817	BWTMODLAAXKZQD-UHFFFAOYSA-N	317.389	1.169	50	20	DDGD	
C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)Cc1ccccc1F	108995837	BMEUQUZLGXXEDC-JTQLQIEISA-N	323.368	1.066	50	20	DDGD	
COCC[C@H](C)NC(=O)NNC(=O)c1c[nH]c2ccccc12	101613234	ZWJGQYWPVUPNFT-JTQLQIEISA-N	304.350	1.537	50	20	DDGD	
CC(C)C(=O)NNC(=O)COCc1nc2ccccc2s1	20915497	IIFKVEWDCKWPLT-UHFFFAOYSA-N	307.375	1.616	50	20	DDGD	
CC[C@@H](C(=O)NNc1cc(F)c(F)c(F)c1)N1CCCC1=O	175472969	AOESSDRHGBEIHE-NSHDSACASA-N	315.295	1.948	50	20	DDGD	
CCOCCC(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	103522710	GNTKAQSDANSPRO-UHFFFAOYSA-N	322.333	1.553	50	20	DDGD	
C#Cc1cccc(N(C)[C@@H](C)C(=O)NNC(=O)CC(C)C)c1	111219229	HYPDQJRGDZJCPT-ZDUSSCGKSA-N	301.390	1.686	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNC(=O)Cc1ccccc1OC	104862649	JRDIPUPTPUXQBT-AWEZNQCLSA-N	319.405	1.260	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Nc2ccc(C(N)=O)cc2)cc1	57979698	ZVQFMQPLOUONFE-UHFFFAOYSA-N	323.312	1.124	50	20	DDGD	
CC[C@@H](C)NC(=O)CCNC(=O)NNC(=O)c1ccccc1C	56917029	CCGTULNMWCXVKO-GFCCVEGCSA-N	320.393	1.244	50	20	DDGD	
CC(C)OCC(=O)NNC(=O)Cc1cccc2ccccc12	63662739	XTCKEVGFYZQJRN-UHFFFAOYSA-N	300.358	1.955	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCS[C@@H](C)[C@@H]1C	118415962	DJYZJNBCESRWOO-SRVKXCTJSA-N	301.456	1.394	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1occc1-c1ccccc1	65206036	MEAZWRSNAOMTAF-UHFFFAOYSA-N	317.345	1.927	50	20	DDGD	
O=C(CCn1cccn1)NNC(=O)c1ccc(Cl)cc1F	176817144	YVCZFIFNLFLSHG-UHFFFAOYSA-N	310.716	1.527	50	20	DDGD	
Cc1cc(NNC(=O)c2cnn(-c3ccccc3)n2)nc(C)n1	128669139	SSNDGLNIMADIDC-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H](C)OCC1CC1	68350154	GSMQMZKWKNZDLF-NSHDSACASA-N	316.361	1.219	50	20	DDGD	
CCC(CC)[C@@H](C(=O)NNc1cc(C)ncn1)N1CCOCC1	173608809	JKWIPPBQCCSUCX-HNNXBMFYSA-N	321.425	1.365	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)CCC(F)(F)F)cc1	173059923	CZSBSNJERINZES-UHFFFAOYSA-N	315.251	1.427	50	20	DDGD	
CCCOc1ncccc1CNC(=O)NNC(=O)C(C)(C)C	120867208	BHLWPIRFFBKQPP-UHFFFAOYSA-N	308.382	1.747	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2c(C)cccc2F)nc1	124315188	YQSHZUAHUBECHZ-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)Nc2ccc(Cl)cc2)nn1	177006501	ADYVMJXPZHJAHE-UHFFFAOYSA-N	306.713	1.378	50	20	DDGD	
Cc1c(C(=O)NNc2ncc(F)cn2)cnn1CCC(C)C	122508224	MCMWBHIKPLJBRA-UHFFFAOYSA-N	306.345	1.924	50	20	DDGD	
O=C(NNc1ncccn1)Nc1cnn(Cc2ccccn2)c1	187337308	MUVYEBVWFJNRQD-UHFFFAOYSA-N	310.321	1.265	50	20	DDGD	
O=C(NNc1cccc2c1CCCC2)C(=O)Nc1ccon1	189214266	FAKPDHKQDHTAEK-UHFFFAOYSA-N	300.318	1.635	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)c1cccc(-n2cnnn2)c1	122401589	ZKUIIZORDXIFJC-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)Cc2cncs2)cc1	187478871	LWHWCEUVWRJYRQ-UHFFFAOYSA-N	319.390	1.605	50	20	DDGD	
COc1ccc(-n2c(C)cc(C(=O)NN(C)C(N)=O)c2C)cc1	181086739	RIFBKFBAFXSJLU-UHFFFAOYSA-N	316.361	1.758	50	20	DDGD	
Cc1onc(-c2ccccc2Cl)c1C(=O)NN(C)C(N)=O	181057218	DLHIFBROCNJNGS-UHFFFAOYSA-N	308.725	1.959	50	20	DDGD	
CO[C@H](C)C(=O)NNc1ccc([N+](=O)[O-])cc1Br	189017535	DHNYQEATPXKCEP-ZCFIWIBFSA-N	318.127	1.835	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)CCN1	125596971	AOTAHXZFKKVOFR-ZETCQYMHSA-N	312.713	1.218	50	20	DDGD	
COc1c(C)ccc(NC(=O)NNC(=O)c2cc(C)n[nH]2)c1C	183668003	PMBFZNGUDPPEPZ-UHFFFAOYSA-N	317.349	1.810	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H]2[C@H]3c4ccccc4C[C@H]32)nn1	123535113	GTJGFXPMZCZJSB-LZWOXQAQSA-N	309.373	1.997	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)c1ccc(F)cc1)[C@@H]1CCCO1	182252970	IMTXEVOFBGCBKK-KBPBESRZSA-N	323.368	1.134	50	20	DDGD	
C/C=C/C=C\C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1	216004534	FMSCXAIPPCXQLN-IAROGAJJSA-N	322.748	1.777	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNc2ncccn2)cc1OC	181759129	CZEKLRKKCDETJM-LLVKDONJSA-N	316.361	1.816	50	20	DDGD	
C[C@H](CC1CCCC1)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	74414726	JTPMDVMHKQDKCR-OCCSQVGLSA-N	316.467	1.695	50	20	DDGD	
CC(C)C[C@@H](C)NC(=O)NNC(=O)COc1ccc(F)cc1	133478864	YRIFVVOTIZADPO-LLVKDONJSA-N	311.357	1.970	50	20	DDGD	
C[C@H]1CCC[C@@H](NC(=O)NNc2ccc(-n3cccn3)nn2)C1	47035170	MYKHLYBIPSJEGN-NWDGAFQWSA-N	315.381	1.867	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)ccc1O)c1ccnc(F)c1	132362921	XGXKALRTEUOEDT-UHFFFAOYSA-N	309.684	1.655	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2cc(C)ccc2C)n(C)n1	132061091	YQDHECJSNTULDC-UHFFFAOYSA-N	315.377	1.681	50	20	DDGD	
CCCc1cnc(NC(=O)C(=O)NNc2ccnc(F)c2)s1	190829443	KKJLWEIBMXJRKA-UHFFFAOYSA-N	323.353	1.712	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)CCCCc2c[nH]nn2)c1	139689151	BTOBUXKDBGRLLD-UHFFFAOYSA-N	319.756	1.581	50	20	DDGD	
NC(=O)COc1ccc(NC(=O)NNc2ccccc2F)cc1	92422003	PRKOOYQCLIIRRB-UHFFFAOYSA-N	318.308	1.838	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(OCC(=O)NC)cc1	264409658	ZKIZLNMYTCZEBE-PKNBQFBNSA-N	303.318	1.194	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNC(=O)C1CCC1)c1cccs1	264712034	DUTJLTGVXLABBD-LLVKDONJSA-N	310.423	1.481	50	20	DDGD	
Cc1nn(CC(F)(F)F)cc1C(=O)NNC(=O)c1ccc[nH]1	268617348	UAUPIESMMNOKMO-UHFFFAOYSA-N	315.255	1.157	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)N[C@@H]1CCCc2cn[nH]c21	269035772	OKRDGDZVKMVVMO-LLVKDONJSA-N	315.333	1.137	50	20	DDGD	
C[C@@H](NC(=O)NNc1cc(F)c(F)c(F)c1)c1nncn1C	266948642	JQLWSQDUNMQMOQ-ZCFIWIBFSA-N	314.271	1.620	50	20	DDGD	
CC[C@@H](OC)C(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	278551021	PIMNERUNODBGLR-JOYOIKCWSA-N	314.769	1.680	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)Nc1cc(F)ccc1Cl	274028114	CAHJOEFDMOSYIC-UHFFFAOYSA-N	313.716	1.365	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@]2(C)CCCOC2)nc1C	272692825	CTYXGMNHNZQURR-HNNXBMFYSA-N	322.365	1.222	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCCN2c2ccccc2)n[nH]1	365124810	YSWDONLLXOJBBI-CQSZACIVSA-N	313.361	1.148	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)O)c(C)n1-c1ccccc1	270783462	UOCJGSQZOOAYLJ-LBPRGKRZSA-N	301.346	1.236	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H]2CCN3CCCC[C@@H]23)nc1	275964808	MWZDUGUFCMSEFJ-STQMWFEESA-N	305.382	1.343	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCC1(C)CCNCC1	272950766	DKTOXIMOARLUDV-UHFFFAOYSA-N	312.845	1.858	50	20	DDGD	
O=C(NCCC[C@H]1CCCCO1)NNC(=O)c1ccccc1O	273666252	HCWPFZDVPPVOEB-GFCCVEGCSA-N	321.377	1.686	50	20	DDGD	
Cc1nc(C)c(NC(=O)C(=O)NNC(=O)CC2CCCC2)s1	274102115	WWHAEFRWTPLZKW-UHFFFAOYSA-N	324.406	1.426	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)C)c(Br)c1	270104147	OKRLQBNECQVKLW-UHFFFAOYSA-N	314.183	1.080	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(C(F)(F)F)nc1C	272669406	KCQFGMNFHGSJHB-UHFFFAOYSA-N	304.272	1.715	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CC[C@@]2(C1)C(=O)Nc1ccccc12	375289875	YLSGRFBEJYKXSJ-JICACKBISA-N	311.341	1.553	50	20	DDGD	
CS(=O)(=O)[C@H]1CCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C1	282078697	HLXBAGJNTUPCNX-VYAXBHEWSA-N	321.358	1.578	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cc(C2CC2)no1	281551106	CBZRQBQJYUJRTR-UHFFFAOYSA-N	315.329	1.564	50	20	DDGD	
CC1CCN(C(=O)C(=O)NNC(=O)Nc2ccccc2)CC1	282679650	DAXHTNDHVXGIBR-UHFFFAOYSA-N	304.350	1.098	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H](C)NC(=O)c1ccc(Cl)cc1	286460667	SYTGVNJEEDQHOP-MRVPVSSYSA-N	313.741	1.188	50	20	DDGD	
COc1cccc(CCC(=O)NNc2nccn(C)c2=O)c1F	289327436	XVAXIXNFGCKDGT-UHFFFAOYSA-N	320.324	1.004	50	20	DDGD	
C[C@@H](Sc1nnnn1C1CC1)C(=O)NNc1cccc(F)n1	286658241	VDBVCKWZOKRRRR-SSDOTTSWSA-N	323.357	1.166	50	20	DDGD	
CCn1cc([C@H](C)NCC(=O)NNC(=O)c2ccccc2)cn1	295901373	DDBNLFFZLPNJPC-LBPRGKRZSA-N	315.377	1.015	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NC[C@@H]1COc2ccccc21	291015912	VMOIJYWNITZHKB-SNVBAGLBSA-N	307.350	1.902	50	20	DDGD	
COC[C@@H](C)CNC(=O)NNC(=O)Nc1cccc(Cl)c1	296176322	AVZNARCVNYYUMI-VIFPVBQESA-N	314.773	1.958	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@H]1CCCc2cn[nH]c21	297231510	ICERKPWPCSSFHZ-JTQLQIEISA-N	308.292	1.787	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCC(C)(C)C1	807370921	YJGIISGXJCSPIO-NSHDSACASA-N	300.399	1.749	50	20	DDGD	
C[C@H]1C[C@@H](O)CCN1C(=O)NNC(=O)CCOc1ccccc1	292902687	FLYHVQDKHKQDEB-STQMWFEESA-N	321.377	1.042	50	20	DDGD	
O=C(Cc1n[nH]c2c1CCCC2)NNc1ncccc1[N+](=O)[O-]	807060824	GECLFVBNKKATOG-UHFFFAOYSA-N	316.321	1.278	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cccc3c2CNC3=O)o1	806754528	XOAFCIYTSDIGKQ-UHFFFAOYSA-N	314.301	1.298	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cc(F)cc3nn[nH]c23)cc1	800472754	ZWZKRTPOHKQUSP-UHFFFAOYSA-N	324.275	1.043	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](C)CN(C)C(C)C)s1	290605776	CHFIYQNAGJIICD-SNVBAGLBSA-N	312.439	1.729	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccnnc1	297372089	IODRCCOKZXEPGU-UHFFFAOYSA-N	315.377	1.846	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc2c(c1)CCCC2=O	295295483	DQFWMEPQKUPXAG-OAHLLOKOSA-N	316.357	1.536	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1cc(C2CC2)no1	804954636	GDGODLDNKRUGSF-UHFFFAOYSA-N	311.305	1.285	50	20	DDGD	
Cc1cccnc1NNC(=O)NCc1ncccc1N(C)C	290870037	CPBIAMVWGORTMM-UHFFFAOYSA-N	300.366	1.677	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2ccc(C(F)(F)F)cn2)n1	293599734	VSDJUVLJSBJWGM-UHFFFAOYSA-N	314.271	1.777	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(F)c2)C1	804121976	SXFSABVFIKCCHP-SNVBAGLBSA-N	323.324	1.216	50	20	DDGD	
O=C(NNC(=O)c1noc2c1CCCC2)c1ccc(Cl)nc1	299119427	XLVYFXANNSIQRA-UHFFFAOYSA-N	320.736	1.677	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1COCCN1CC(F)F	808247906	VKPXEDQXQRCHRL-ZETCQYMHSA-N	305.152	1.214	50	20	DDGD	
O=C(NN=C1CCO[C@@H](C(F)(F)F)C1)c1ccc(O)c(O)c1	814920763	KEKSDVYFCQTVFA-LLVKDONJSA-N	318.251	1.925	50	20	DDGD	
C[C@H]1CC(=NNC(=O)COc2ccccc2O)CN1C1CC1	814951029	JPYSBGPVLSOOTM-NSHDSACASA-N	303.362	1.500	50	20	DDGD	
COC(=O)COc1ccccc1C(C)=NNC(=O)CC1CC1	814989237	IDYMDNYOVLFSOJ-UHFFFAOYSA-N	304.346	1.879	50	20	DDGD	
CCOC1CC(=NNC(=O)[C@H](C)CN2C[C@@H](C)O[C@H](C)C2)C1	814766667	OJXVOLYFZAOGEX-OSBVZDBCSA-N	311.426	1.403	50	20	DDGD	
COCC(=NNC(=O)C(=O)NC1CC1)c1ccc(Cl)cc1	814778153	SUHQFDPBYZMDLA-UHFFFAOYSA-N	309.753	1.085	50	20	DDGD	
O=C(O)CCNC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	819492437	JCBXVHGXIKHFDE-UHFFFAOYSA-N	323.393	1.398	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1Br)[C@H]1CCN1	818490918	LPBHYCGLQMHWHV-MRVPVSSYSA-N	306.110	1.532	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@@H](C)[C@H](C(=O)O)C1	817871721	UWMPRVCMYHFWBP-LDYMZIIASA-N	313.785	1.531	50	20	DDGD	
CO[C@](C)(C=NNC(=O)c1nnc(O)c2ccccc12)C1CC1	814739960	IXNHFCOYVXVXCP-MRXNPFEDSA-N	314.345	1.866	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2ncn(C)n2)c1	810548935	GCHWLSXIWXURTR-UHFFFAOYSA-N	304.379	1.063	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=S)N[C@@H](C)C2CC2)c1	727269979	FGVKWKHKIKJKHX-LBPRGKRZSA-N	321.446	1.976	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1cc(Cl)nc(Cl)c1)C(C)C	819740880	AGFOFJFTVBQKTB-NSHDSACASA-N	319.192	1.992	50	20	DDGD	
Nc1nc2c(s1)C(=NNC(=O)NCc1ccco1)CCC2	814817395	KEOIPNOVDVDXGT-UHFFFAOYSA-N	305.363	1.858	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F	823916979	CCUWCNRGWCAPHK-SSDOTTSWSA-N	321.255	1.571	50	20	DDGD	
CC(C)C(=O)NNC(=O)CSc1ccc2c(c1)OCCCO2	828487485	IIVOGMUADFEIHD-UHFFFAOYSA-N	324.402	1.743	50	20	DDGD	
O=C(CS(=O)(=O)C1CC1)NNc1c(F)cccc1Cl	829618577	XBLMHMABATWOIM-UHFFFAOYSA-N	306.746	1.499	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	823934221	DOOBEQCLMCYFQN-QNSHHTMESA-N	302.296	1.551	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C1(C(=O)C2CC2)CC1	823222057	ASUYRMGMYWHNDJ-UHFFFAOYSA-N	302.330	1.216	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCC[C@H](OCC3CC3)C2)cn1	491079606	AUVQKNCJWYHDBX-NHKNYXOTSA-N	314.389	1.745	50	20	DDGD	
O=C(NN=C(Cc1ccccc1)C1CC1)[C@@H]1CCS(=O)(=O)C1	729144318	XYBYOADSELFWII-CQSZACIVSA-N	320.414	1.546	50	20	DDGD	
Cc1nn(C)cc1C=NNC(=O)CCCNC(=O)OC(C)(C)C	494299965	PRTRWXIVBFGQJD-UHFFFAOYSA-N	323.397	1.484	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CC(OC(F)F)C2)cc(C#N)n1C	491100249	ADZYNLVOYABAHS-QDEBKDIKSA-N	320.299	1.562	50	20	DDGD	
CN(C)[C@H]1CCCC(=NNC(=O)CNC(=O)OC(C)(C)C)C1	496654416	IBQDVGKPRGFHSI-LBPRGKRZSA-N	312.414	1.488	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CC[C@@H](OC(C)C)C2)cc1	828847321	MENOLGBPVMFFQZ-OAHLLOKOSA-N	319.405	1.255	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2Cc3cccc(C)c3O2)o1	826758428	LVXHOFPBGUKJRT-ZDUSSCGKSA-N	300.314	1.661	50	20	DDGD	
Cc1cc(C(=O)NN(C)[C@H](C)CO)ccc1NC(=O)CC(C)C	823952613	SAFDMMJNMDNYCR-CYBMUJFWSA-N	321.421	1.937	50	20	DDGD	
CC[C@H](C)N(CC(=O)OC)C(=O)/C(C#N)=C\c1cnn(C)c1	491048054	KDLPOHIINDLLTK-RYPVXOHGSA-N	304.350	1.127	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ncc(C(F)(F)F)cc1Cl	823384741	SWIWVPNJCMKSRA-LURJTMIESA-N	311.691	1.711	50	20	DDGD	
CCN(CC(=O)NNC(=O)C(C)C)[C@@H](C)c1cccc(OC)c1	827484379	WAUFCGBKLHTKKY-ZDUSSCGKSA-N	321.421	1.882	50	20	DDGD	
CC[C@H](O)CCNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	490726459	RGADRMWPIWHOPO-QLBUUCPGSA-N	300.362	1.389	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1O	826447211	UAKZBCXAJUHYEO-UHFFFAOYSA-N	314.280	1.468	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1	495693732	RZFCGGFVOLAGCI-UHFFFAOYSA-N	321.211	1.957	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1cnn(C2CCCC2)c1	901964068	BUPZHCXSFMQDNA-UHFFFAOYSA-N	324.406	1.111	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H](C)N(C(=O)OC(C)(C)C)C1CC1	823889450	XBKMRULRUDUDLT-LLVKDONJSA-N	315.414	1.120	50	20	DDGD	
CC(C)(C)OC(=O)[C@H](C(=O)NNC(=O)NC1CC1)C(C)(C)C	823762968	MSCREYPLQRGNFG-JTQLQIEISA-N	313.398	1.483	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(F)cn1)C(=O)N1CCCC[C@@H]1C	731366323	ZASMUIHMFGRCOI-QWRGUYRKSA-N	323.372	1.636	50	20	DDGD	
CN(c1ccccc1)c1ccc(CN2CC[C@H](B(O)O)C2)cn1	585077219	SOENCAQZRAFXBD-HNNXBMFYSA-N	311.194	1.898	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)[C@H]1C[C@@H]1C(=O)O	739344651	GUUFDZLGTWFXLX-KBPBESRZSA-N	312.325	1.250	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC(CO)(CO)CC1	832545025	SCEAVMQMFSRZGZ-SNVBAGLBSA-N	322.243	1.389	50	20	DDGD	
OB(O)c1cccc(CNCCCSc2ccccc2)c1	585014937	JOHCKZJFXRFHLF-UHFFFAOYSA-N	301.220	1.638	50	20	DDGD	
CC[C@H](C(=O)NNC(=S)NC1CCOCC1)c1ccccc1	731941291	QLBAYKVWAAVPJJ-AWEZNQCLSA-N	321.446	1.855	50	20	DDGD	
Cc1cccc([C@H](C)CNC(=O)NNC(=O)[C@H]2CCCCO2)c1	836323764	JNRZFRIOUSJTGI-UKRRQHHQSA-N	319.405	1.998	50	20	DDGD	
CS[C@H]1CCCC(=NNC(=O)[C@@H](C)CN2CCOCC2)C1	901155043	JIXBJHIFOKDECL-JSGCOSHPSA-N	313.467	1.733	50	20	DDGD	
O=C(NNc1nccc2sccc12)[C@@H]1CC(=O)N(C2CC2)C1	734249730	IYACCTVCKALWOU-SECBINFHSA-N	316.386	1.750	50	20	DDGD	
CCOC(=O)[C@H](CC(C)C)OC(=O)/C(C#N)=C\c1cnn(C)c1	837970646	FNMVSMKZQKNFTI-LVOZBFFPSA-N	319.361	1.848	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc2cccc(F)c2o1	833246852	SSFNYTWWKHHQBZ-NSHDSACASA-N	306.293	1.902	50	20	DDGD	
O=C(NN=CC[C@@H]1CCCCC12OCCO2)[C@@H]1CCCCO1	834984830	COLSFBNSPPAEAK-KBPBESRZSA-N	310.394	1.981	50	20	DDGD	
COC(=O)c1cc(OC(=O)CSCC#N)ccc1[N+](=O)[O-]	732651876	WFKQUHFIYDESBH-UHFFFAOYSA-N	310.287	1.544	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NN=C2C[C@H](C)n3ccnc32)c1	834965528	QMXOLLKZDYSUOK-VIFPVBQESA-N	312.333	1.335	50	20	DDGD	
N#Cc1cccc(OCC(=O)NNc2nccnc2Cl)c1	734261231	GKWOWMKXCTZTSA-UHFFFAOYSA-N	303.709	1.524	50	20	DDGD	
C[S@](=O)CCNC(=O)NNc1cccc(Cl)c1Cl	838496511	PRMIVPWZJMXOHG-SFHVURJKSA-N	310.206	1.998	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC(CN(CCO)C(C)C)CC1	910863818	QJEVDLNWWGFKGZ-DTQAZKPQSA-N	323.437	1.372	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1	830190028	HNELEYPTDPKISH-FRRDWIJNSA-N	314.426	1.995	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(F)c(Br)cc1F	910184737	VCRRNYNXRQLIDT-ZCFIWIBFSA-N	323.137	1.685	50	20	DDGD	
COc1ccnc(NNC(=O)CSCc2cscn2)n1	747391429	ZXVRLEVMSHEJHF-UHFFFAOYSA-N	311.392	1.318	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cn(C(C)C)nc2C)n1	847289923	LHBIKXMHDGZZFX-UHFFFAOYSA-N	318.381	1.047	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)c1cc(C2CC2)no1	848322404	ZYAYDXUDEBIOGO-UHFFFAOYSA-N	324.138	1.861	50	20	DDGD	
CSC(C)(C)C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	849983380	FRHFAZLXZLYIPM-UHFFFAOYSA-N	324.402	1.441	50	20	DDGD	
CC[C@@H](Oc1ccccc1C)C(=O)NNC(=O)NCC1CC1	749356468	BDYKWLYDTOWVAR-CYBMUJFWSA-N	305.378	1.893	50	20	DDGD	
CCC(=NNC(=O)Cc1cc(C)[nH]n1)c1c(C)nn(C)c1C	741847449	LIIKBYJMNZVHHE-UHFFFAOYSA-N	302.382	1.541	50	20	DDGD	
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1cncs1	741772172	WOMBGFXLDVJCQL-UHFFFAOYSA-N	306.303	1.911	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2cc(C)[nH]c2C)c1	914748368	YEKJLDPQSIBHFS-UHFFFAOYSA-N	317.345	1.724	50	20	DDGD	
CCN[C@H](C)CNC(=O)NNc1ccc(C(=O)OC)c(F)c1	841984409	BEOPVOMHSBHGHZ-SECBINFHSA-N	312.345	1.236	50	20	DDGD	
CCS(=O)(=O)CCCNC(=O)NNc1c(F)cccc1F	840475170	VFGDPFRZDTUEDX-UHFFFAOYSA-N	321.349	1.416	50	20	DDGD	
Cc1ccccc1[C@H]1CCN(CC(=O)NNC(=O)C(C)(C)C)C1	744392029	DCRJDJSESRLNHB-AWEZNQCLSA-N	317.433	1.978	50	20	DDGD	
Cc1ncc2n1C[C@@H](C(=O)NNC(=O)c1cccc(C#N)c1)CC2	845438404	IZRZHALYAIMROZ-AWEZNQCLSA-N	323.356	1.087	50	20	DDGD	
CC[C@H](C#N)C(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1	845089050	REFPQUSKDQWONS-LLVKDONJSA-N	319.361	1.793	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1ccc[n+]([O-])c1	917213368	HEWSSTWAICFJTG-UHFFFAOYSA-N	308.681	1.639	50	20	DDGD	
O=C(NNC(=O)[C@H](c1ccccc1)n1cccn1)c1ccc[nH]1	748700190	YHIWEBGVWIRFRY-AWEZNQCLSA-N	309.329	1.262	50	20	DDGD	
Cc1cnn(CCC(=O)NNC(=O)c2cc3c(s2)CCC3)c1	918293734	FKCGJGHSPPOOEG-UHFFFAOYSA-N	318.402	1.593	50	20	DDGD	
NCC[C@@H](NC(=O)NNc1ccc(Cl)nn1)C(F)(F)F	841335155	NPYJGIIXWWGIFX-RXMQYKEDSA-N	312.683	1.036	50	20	DDGD	
C/C=C\C(=O)NNc1ccccc1S(=O)(=O)NC(C)(C)C	748601937	JFNFFAJYTKOTIW-YVMONPNESA-N	311.407	1.783	50	20	DDGD	
CCCN(C)c1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	843648822	RURRJDDQKDHRRP-WFASDCNBSA-N	319.405	1.719	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)[C@@H](C)[C@H](C)S(C)(=O)=O	841422939	SIJPMUYUVZISRU-UWVGGRQHSA-N	302.371	1.646	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843661723	NPLOVZIMZMNKDF-HLUHBDAQSA-N	309.366	1.357	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H]2CCc3ncncc3C2)c1	843835469	WAQHIRHFFUZTNZ-SNVBAGLBSA-N	316.336	1.873	50	20	DDGD	
CCOCC(=O)NNC(=S)Nc1cc(OC)ccc1Cl	742999860	VCFJKOLDPRMSSY-UHFFFAOYSA-N	317.798	1.703	50	20	DDGD	
CCNCc1cccc(NC(=O)NNC(=O)CC(F)(F)F)c1	841310149	HABMKRBUSDBYKN-UHFFFAOYSA-N	318.299	1.901	50	20	DDGD	
COCCCNC(=O)NN=Cc1c[nH]nc1-c1cccnc1	920829884	MLSZIXAFJWRTCR-UHFFFAOYSA-N	302.338	1.141	50	20	DDGD	
CC(C)[C@](C)(O)CNC(=O)NC[C@]1(C)C[C@@H]1Br	856956646	SJARWZBUIWAAOR-ZMLRMANQSA-N	307.232	1.866	50	20	DDGD	
Cc1cncc(/C=C/C(=O)NNC(=O)OCC(F)(F)F)c1	856021288	CLSBEACKTMHVNU-NSCUHMNNSA-N	303.240	1.723	50	20	DDGD	
CC(=O)N1CC[C@@H](NC(=O)NC[C@@]2(C)C[C@H]2Br)C1	856894983	YHXMSQITVFSGIE-CKYFFXLPSA-N	318.215	1.080	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)C(=O)Nc2ccc(C)cc2)cn1	920987610	NFTFYWDVRFUONO-UHFFFAOYSA-N	313.361	1.690	50	20	DDGD	
CNC(=S)N(C)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-]	854920643	GOSINEMETPQGDK-UHFFFAOYSA-N	310.379	1.340	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CCc3nccn3C2)C[C@@H]1Br	857385749	LPLFNZAEINDSCV-GBIKHYSHSA-N	312.211	1.735	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCCCN1CCOC1=O	754547828	WGJPEPVKMSWNDS-RAXLEYEMSA-N	316.313	1.685	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H](C(=O)OC(C)(C)C)C1CCCC1	854163285	PAEOGDGKSZMYPF-LLVKDONJSA-N	314.382	1.912	50	20	DDGD	
O=C(NN=C1CCCC12CCOCC2)[C@@H]1CN2CCC[C@@H]2CO1	853390071	KNASPCPHZFKXJW-KGLIPLIRSA-N	321.421	1.303	50	20	DDGD	
CC[C@@]1(C)CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)C1	758747723	KUQWZUAOSMCQSL-KRWDZBQOSA-N	314.389	1.441	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)CCOc2ccccc2)cc1Cl	857443758	PJMQJEHBQIOYTA-UHFFFAOYSA-N	322.752	1.304	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(F)cc1C(F)(F)F	756339019	CQLNATBRGJRFSP-UHFFFAOYSA-N	309.219	1.644	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cc1ccc(Cl)cn1)C1CC1	855097412	PSYUJBOPSOHXCH-MRVPVSSYSA-N	312.826	1.571	50	20	DDGD	
Cn1nccc1CCNC(=O)NC[C@@]1(C)C[C@@H]1Br	856848129	CDXYSFXWOZBLEF-CMPLNLGQSA-N	315.215	1.435	50	20	DDGD	
CC[C@H](CCO)CNC(=O)NC[C@]1(C)C[C@H]1Br	856953650	MLOYYRUAZFAWBQ-FOGDFJRCSA-N	307.232	1.868	50	20	DDGD	
CCO[C@@H]1COC[C@H]1NC(=O)NNc1ccc(Cl)cc1F	922774937	JHWWYSBLGLFVAC-VXGBXAGGSA-N	317.748	1.909	50	20	DDGD	
O=C(NNC(=O)C1(C(F)(F)F)CCCCC1)c1ncccn1	854952876	PARNKFITAVMNSD-UHFFFAOYSA-N	316.283	1.750	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccccc1N1C[C@H](C)O[C@@H](C)C1	756044309	SMHBPCMQMGVQCC-RYUDHWBXSA-N	320.393	1.863	50	20	DDGD	
CCCNC(=O)NNC(=O)Cc1ccc(-n2cccn2)cc1	921038132	GHJAMOLPRFACGA-UHFFFAOYSA-N	301.350	1.155	50	20	DDGD	
C[C@@H]1CCN(C(=O)NC[C@]2(C)C[C@H]2Br)[C@@H]1CO	856955686	QQFPVYXANYOVCU-BFLSOPEQSA-N	305.216	1.572	50	20	DDGD	
OB(O)c1cccc(-c2noc([C@H]3CCN3C3CCCC3)n2)c1	924145906	PKZHYCMCPQLSIM-CQSZACIVSA-N	313.166	1.106	50	20	DDGD	
COC(=O)c1cc(NNC(=O)COc2cc(C)on2)ccc1C	857268082	WWOHMKZFOFCHBD-UHFFFAOYSA-N	319.317	1.600	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)Cc2ccc(F)cc2)c[nH]1	753163680	XZRMERLSMWPRLA-UHFFFAOYSA-N	303.293	1.633	50	20	DDGD	
Cc1c(C(=O)NNC(=S)N[C@@H](C)C2CC2)cnn1C(C)C	855099131	RUOGLHALHWNXBW-VIFPVBQESA-N	309.439	1.680	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CCc2ccccc2)nnc1C	756581237	BHGVMERHDGUXAN-UHFFFAOYSA-N	313.361	1.879	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cnc3n2CCC3)c(F)c1	854899859	UBWWKZWJZVAHPV-UHFFFAOYSA-N	318.308	1.512	50	20	DDGD	
COC1(C(=O)NNC(=O)Cn2cnc3ccccc32)CCCC1	754174686	VRTYTHHCDGLVMR-UHFFFAOYSA-N	316.361	1.143	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(OC(F)(F)F)cc1	758499135	KJSALKKLTDIQNM-UHFFFAOYSA-N	307.228	1.384	50	20	DDGD	
Cn1cc(C[C@@H]2CCN(C(=O)NNC(=O)C3CCCC3)C2)cn1	753338379	CXARZXZXBJTOAD-LBPRGKRZSA-N	319.409	1.216	50	20	DDGD	
Cc1ccc(NNC(=O)CCC[C@@]2(C)NC(=O)NC2=O)cc1F	856229915	BHHCSPFBBNDXGW-OAHLLOKOSA-N	322.340	1.346	50	20	DDGD	
O=C(NNC(=O)c1ccnc2ccnn12)NC1CCCCC1	858130656	UMYRPCLYLQWKRD-UHFFFAOYSA-N	302.338	1.006	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NC[C@@]1(C)C[C@@H]1Br	857689427	LAPJNJVMXNDVCJ-WRWORJQWSA-N	307.188	1.411	50	20	DDGD	
Cc1cc(Cl)cc(C)c1C=NNC(=O)CS(C)(=O)=O	863187501	NICOVKWYYNDVAB-UHFFFAOYSA-N	302.783	1.452	50	20	DDGD	
Cc1sc(CC(=O)NNC(=O)c2cn[nH]c2)nc1C(C)C	862469882	DLJSADFYLDZBLR-UHFFFAOYSA-N	307.379	1.302	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](C)c1ccccc1C	933398511	NEBKQVHGIVXSLF-LBPRGKRZSA-N	319.405	1.551	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1csc(C(C)C)n1	768769767	WJOKKRLGPCZNTI-UHFFFAOYSA-N	308.407	1.729	50	20	DDGD	
C[C@@H](NNC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O)C(F)(F)F	862322560	NNHSHMLCVCHBGJ-MXWKQRLJSA-N	321.343	1.739	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCSC1)c1ccc2ccccc2n1	761787561	YTPLBQPYMGSEBN-LLVKDONJSA-N	301.371	1.749	50	20	DDGD	
CC1(C)C(=NNC(=O)[C@@H]2CCC(=O)N2)C[C@@H]1Oc1ccccc1	863153405	TZGQWIFDHWXKEF-JSGCOSHPSA-N	315.373	1.615	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)CC(F)(F)F)c1ccc(F)cc1	862057105	DUOJYBIZKPWRNB-SNVBAGLBSA-N	308.231	1.613	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H]1c1cccc(C)c1	860337751	TYFSYGOLYYWYPG-FPMFFAJLSA-N	318.373	1.588	50	20	DDGD	
C[C@@H](C(=O)NNCC(F)(F)C(F)(F)F)c1cnn(C)c1	863096921	ZJVNUTNUOCYODR-ZCFIWIBFSA-N	300.231	1.342	50	20	DDGD	
Cn1ccc(CCNC(=O)NNC(=O)c2cccc(Cl)c2)n1	760688788	ZMILHWNIWDHHIO-UHFFFAOYSA-N	321.768	1.260	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)C(=O)c1ccc(O)cc1	863098540	MIRNAXQKRSHUBB-UHFFFAOYSA-N	312.194	1.393	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H]2CCNC2=O)c1C	769964174	IISJWFYIMMQMMP-HNRFISLBSA-N	315.373	1.854	50	20	DDGD	
C[C@@H](C(=O)NNc1ncc(F)cn1)N1CCc2ccccc21	760914490	KPNGYEICCPXEIS-JTQLQIEISA-N	301.325	1.510	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)N(C)NC(=O)OCc1ccccc1	862286612	CUFJKOHJGZYIQI-ZDUSSCGKSA-N	324.377	1.728	50	20	DDGD	
O=C(NNC(=O)c1ccn(C2CCCC2)n1)NC1CCCC1	763307200	PKGDCCAMQABRRK-UHFFFAOYSA-N	305.382	1.885	50	20	DDGD	
COCC1(O)CCN(C(=O)[C@@H](Br)C(C)(C)C)CC1	768321804	OOUBEYMQVFHGTP-SNVBAGLBSA-N	322.243	1.796	50	20	DDGD	
COCCOCC(=O)NN=C1CCc2c1ccc(OC)c2F	872400897	XIWRKXVOXURPMZ-UHFFFAOYSA-N	310.325	1.264	50	20	DDGD	
CON1CCC(=NNC(=O)c2cncn2-c2ccccc2)CC1	1117832023	ZMZAQABERJTSTM-UHFFFAOYSA-N	313.361	1.615	50	20	DDGD	
CN(C)C(=O)C1CCC(C(=O)NNc2ccc(F)cn2)CC1	874647587	XTFOLNVVYBNLIA-UHFFFAOYSA-N	308.357	1.558	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)[C@H]1CC12CCSCC2	874956023	IDFADPDSCUKIGT-SNVBAGLBSA-N	322.459	1.933	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc2c(s1)CCCC2	771846283	QGPOUHIWGAWPKR-SECBINFHSA-N	324.402	1.730	50	20	DDGD	
CC[C@H](NNC(=O)[C@@H]1CCCCO1)C(=O)Nc1ccc(C)cc1	871886925	HDPQLFQKEAOGER-GJZGRUSLSA-N	319.405	1.902	50	20	DDGD	
Cc1ccccc1C(F)(F)C(=O)NNC(=O)c1ccncc1	1116416709	YDEZDRYEMKWSQE-UHFFFAOYSA-N	305.284	1.943	50	20	DDGD	
CCOC(=O)[C@H](NC[C@H](C)CBr)C1CCOCC1	770669372	VANQIZAUEPSHRW-ZYHUDNBSSA-N	322.243	1.965	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNc2ncccn2)c(C)c1	773716606	LSDTWTQOJJSDNV-UHFFFAOYSA-N	315.333	1.266	50	20	DDGD	
C[C@H]1CCN(S(=O)(=O)NNC(=O)c2cc3ccccc3o2)C1	777936719	YALAASKBMVLVNM-JTQLQIEISA-N	323.374	1.254	50	20	DDGD	
CCNC(=O)NNC(=O)CC1CCN(CC(F)(F)F)CC1	874193791	LWASZMYBHVDIIQ-UHFFFAOYSA-N	310.320	1.001	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1cncn1C	873853899	NZFVKASOIYYCDP-UHFFFAOYSA-N	317.418	1.922	50	20	DDGD	
Cc1nc(-c2ncccn2)sc1C(=O)NNc1cccnn1	1116562380	HEPHKEKSYHGTIJ-UHFFFAOYSA-N	313.346	1.455	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(N2CCOCC2)cn1	772402130	GBYHHUKVMJQFRL-LLVKDONJSA-N	321.381	1.117	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1cnn(Cc2cccnc2)c1	1116536386	LPARLOUEFIZEDN-UHFFFAOYSA-N	314.349	1.279	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)CN2CCCC2=O)c1	874948552	WTNKDPAVLXCOIK-UHFFFAOYSA-N	324.381	1.074	50	20	DDGD	
Cc1ccc(F)cc1C=NNC(=O)Cc1cc(O)nc(O)n1	777888229	KHCWMUYWBCCIFK-UHFFFAOYSA-N	304.281	1.028	50	20	DDGD	
C[C@H](NC(=O)CC(C)(C)C)C(=O)NNc1ncccc1[N+](=O)[O-]	779393847	GILKXSXOLDSRCV-VIFPVBQESA-N	323.353	1.374	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H](C)NC(=O)c1ccoc1	772875328	KZSYJUVPXFUKRK-SNVBAGLBSA-N	317.349	1.455	50	20	DDGD	
Cc1nnnn1/C(=C\c1ccccc1)C(=O)NNc1ccccn1	777469109	UPAMMDJBKFWQDU-KAMYIIQDSA-N	321.344	1.518	50	20	DDGD	
CCSc1ccc(C(=O)NNC(=O)C2CCOCC2)cn1	883062498	FTNCGUPDXGEJIS-UHFFFAOYSA-N	309.391	1.381	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=C1CC(C)(C)CC(C)(C)C1	779771258	AWAGHFYSCJHXRX-JTQLQIEISA-N	317.455	1.633	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)C1CCCC1	772168873	UNNMMTKDLHSWNM-NWDGAFQWSA-N	312.410	1.938	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1c(C)nn(C)c1C	773641169	MRVGYYKNWLXLTQ-UHFFFAOYSA-N	320.324	1.720	50	20	DDGD	
CCN(CC(=O)NNC(=O)C(C)(C)C)[C@H](CO)c1ccccc1	880464450	SWKHXOXGDXKGNC-CQSZACIVSA-N	321.421	1.235	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	785408988	RALHPUWXJCKYCV-HXFLIBJXSA-N	308.300	1.536	50	20	DDGD	
O=S(=O)(CCCCl)N1CCOc2cccc(F)c2C1	882164422	MXJYIZBFGYVVTB-UHFFFAOYSA-N	307.774	1.979	50	20	DDGD	
CC[C@H]1CN(S(=O)(=O)CCCCl)[C@H](CC)CN1C(C)=O	881959324	KAWASYIGMXSPSU-QWHCGFSZSA-N	324.874	1.666	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)Nc1ncn(Cc2ccccc2)n1	782036497	RNAGHKYQNKAJFN-UHFFFAOYSA-N	309.333	1.292	50	20	DDGD	
CC(=NNC(=O)CCN1CCCCCC1)c1cc(C)nn1C	788977244	NCROKKCBUZMXNL-UHFFFAOYSA-N	305.426	1.835	50	20	DDGD	
CCn1nccc1NC(=O)C(=O)NNc1ccccc1Cl	784779538	IQAWBCUTKPVWTC-UHFFFAOYSA-N	307.741	1.638	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCC[C@@H]1[C@H](O)C(F)(F)F	780790858	APNOBMGGBUSSGU-BDAKNGLRSA-N	323.764	1.723	50	20	DDGD	
CO[C@]1(C(=O)NNC(=O)c2cccc(Cl)c2)CCSC1	887646159	TXPZBENDWPNTRB-CYBMUJFWSA-N	314.794	1.623	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@H]1CCCC12OCCO2	889510596	MXJNFYXPSUICIN-QMMMGPOBSA-N	313.745	1.052	50	20	DDGD	
O=C1CCCN1[C@@H]1CCCN(S(=O)(=O)CCCCl)CC1	882265217	RAKBAPRMSOAVSH-GFCCVEGCSA-N	322.858	1.422	50	20	DDGD	
O=C(NCc1ccc(F)c(F)c1)NNC(=O)C1CCOCC1	883202513	DHSQVQGXIRXESU-UHFFFAOYSA-N	313.304	1.222	50	20	DDGD	
CCCOc1ncccc1CNS(=O)(=O)CCCCl	881812622	ULPQKAVELVBAKX-UHFFFAOYSA-N	306.815	1.919	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cn(-c2ccccc2)cn1	883071700	KIURLLKBIVENKK-UHFFFAOYSA-N	314.345	1.060	50	20	DDGD	
CCNC(=O)CN(CC)C(=O)[C@@H](Br)C(C)(C)C	781078641	LNYSIDABJDTNOA-SNVBAGLBSA-N	307.232	1.781	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc(F)c(OC)c2)n1	782093636	SBTALTVZLFULEX-UHFFFAOYSA-N	307.285	1.782	50	20	DDGD	
Cc1cccnc1[C@@H](C)NC(=O)NNC(=O)[C@H]1CCCCO1	1122392923	ZPIUSQQWVGMORM-VXGBXAGGSA-N	306.366	1.351	50	20	DDGD	
Cc1coc2ccc(NC(=O)C(=O)NNc3cccnn3)cc12	784863242	WRJFULXRBPDFEG-UHFFFAOYSA-N	311.301	1.613	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(Cl)nn1)C1=CCN(C)CC1	781395825	VYWNJJSOQDXXEZ-VIFPVBQESA-N	310.789	1.407	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H](CC1CC1)NC(=O)OC(C)(C)C	897721999	RCWWYOBDYAPHTI-SNVBAGLBSA-N	315.370	1.409	50	20	DDGD	
CC(=O)Nc1ccc(CNC(=O)NNc2ncccc2C)cn1	789841140	DWUXWJNIPJKPRO-UHFFFAOYSA-N	314.349	1.570	50	20	DDGD	
Cc1nc(C(C)C)nc(O)c1C(=O)NNC(=O)c1ccc[nH]1	892576250	ODDYSSPRFVVEEP-UHFFFAOYSA-N	303.322	1.017	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@H]1CCCN1c1ncccn1	781357524	MOPNUBVFWNVCJV-LLVKDONJSA-N	302.313	1.123	50	20	DDGD	
Cc1cc(C)n([C@H](C)CC(=O)NNC(=S)NC(C)(C)C)n1	899991807	AHFZBTFKHIUVAJ-LLVKDONJSA-N	311.455	1.745	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNc2ncccc2C)cc1	792375284	GGOAVCLDGJKGBX-UHFFFAOYSA-N	314.345	1.871	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)c1csc(O)n1	792156979	LVGCTKQNULNUJI-UHFFFAOYSA-N	303.303	1.656	50	20	DDGD	
CC(C)NC(=O)NNC(=S)NCCCCC(F)(F)F	794975784	YUYGMFZGXMAOEG-UHFFFAOYSA-N	300.350	1.806	50	20	DDGD	
CC(C)Oc1cncc(C(=O)NNC(=O)NCC(F)(F)F)c1	798314731	YNDCXRANSOFMND-UHFFFAOYSA-N	320.271	1.375	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCCO2)c1cc(C)n(C)n1	799874458	LRMXBJYYXKSEKW-UHFFFAOYSA-N	314.345	1.654	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2c[nH]c3ccccc3c2=O)n1	794074313	CJZVAASZOGVCDK-UHFFFAOYSA-N	322.324	1.306	50	20	DDGD	
Cc1cccnc1NNC(=O)NNC(=O)c1ccc(C#N)cc1	791023324	VNTNQYVAKMVHGL-UHFFFAOYSA-N	310.317	1.233	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)CCn1ccnc1	797609723	VTRKAVMVMOJINN-UHFFFAOYSA-N	322.752	1.396	50	20	DDGD	
C[C@@H]1COC(=O)C1=NNC(=O)[C@H](C)Oc1cccc(Cl)c1	794937667	ZNKDMVUUILQDHV-BDAKNGLRSA-N	310.737	1.772	50	20	DDGD	
CC1=C(C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)CCC1	794717560	PPIYORBOKUCDJK-UHFFFAOYSA-N	323.418	1.880	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C(C)(C)C(F)F)c1	792632967	VLMMKIFEFNTSAP-UHFFFAOYSA-N	315.320	1.546	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNC(=O)COc1cccc(C)c1	791010838	ZUCHZVSENZHCEA-ZDUSSCGKSA-N	303.362	1.506	50	20	DDGD	
Cc1nnc(O)c(CNC(=O)NNc2ccc(F)cc2)c1C	1318640574	AFXLDWUGUOFSAG-UHFFFAOYSA-N	305.313	1.764	50	20	DDGD	
Cc1ncncc1C(=O)NNC(=O)c1cccc(OC(F)F)c1	1318475603	PSTKUVPEZJVXFB-UHFFFAOYSA-N	322.271	1.461	50	20	DDGD	
O=C(CCc1ccncn1)NNC(=O)c1ccccc1Cl	1326336639	YDYCBYDKUVVMBG-UHFFFAOYSA-N	304.737	1.524	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc(COC(C)(C)C)on1	1320636401	KDHISKCRADOFEQ-UHFFFAOYSA-N	314.411	1.507	50	20	DDGD	
Nc1cnnc(NNC(=O)NCCCc2ccco2)c1Cl	1330580802	AGDRZBQBGKVLNB-UHFFFAOYSA-N	310.745	1.564	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2)n1	1332682196	ORBNPWITEUORCC-GFCCVEGCSA-N	315.381	1.029	50	20	DDGD	
CC(C)CCCNC(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1334674416	WPZYLSKCBSUDIR-MFKMUULPSA-N	319.243	1.829	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCN1CCC(OCC(N)=O)CC1	1261139758	WPRRFAWPBIJUNC-UHFFFAOYSA-N	316.518	1.975	50	20	DDGD	
CSc1nc(O)nc(C)c1C(=O)NNc1cccc(C#N)c1	1347819364	VFVLYFGOGUWYHP-UHFFFAOYSA-N	315.358	1.841	50	20	DDGD	
C[C@@]1(COC(=O)c2cc3n(n2)CCO3)C[C@@H]1Br	1345266050	NXHQKOQEUKVFNJ-KWQFWETISA-N	301.140	1.606	50	20	DDGD	
CNC(=O)Cn1nc(NC(=O)c2cccc(CCl)c2)cc1C	1353631668	WNNQNSYLXFURDM-UHFFFAOYSA-N	320.780	1.929	50	20	DDGD	
O=C(O)C(=O)NN=C1CCc2sc(Br)cc21	1601637814	KBTWLOPJBUYHOZ-UHFFFAOYSA-N	303.137	1.362	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@H]1CCCc2n[nH]cc21	1602230018	ATYDXTSNSRQEKX-QMMMGPOBSA-N	318.308	1.810	50	20	DDGD	
Cc1onc(CO)c1C(=O)NNc1cccc(C(=O)O)c1F	1600864563	PVTMYVQEVVZRIJ-UHFFFAOYSA-N	309.253	1.070	50	20	DDGD	
CCn1ncc(C(=O)NNc2cccc(C(=O)O)c2C)c1C	1605941300	KCWLAQNBICQJLP-UHFFFAOYSA-N	302.334	1.975	50	20	DDGD	
CC(C)CCCCNC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1603279339	IRKKVUSVQRKURP-UHFFFAOYSA-N	318.385	1.714	50	20	DDGD	
CC[C@](CNC(=O)NNC(=O)C(C)C)(C(=O)O)c1ccccc1	1605033384	JRDPMPURXIIHLF-MRXNPFEDSA-N	321.377	1.405	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)N[C@H]1CCn2ccnc21	1601558729	DYTCPCOHTJKBTE-NSHDSACASA-N	301.306	1.352	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)Nc2cccc(C(=O)O)c2)CCCO1	1609810856	SMWRJNLWQZXZJU-AWEZNQCLSA-N	307.306	1.107	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)N[C@H]1CCN2CCC[C@@H]2C1	1608483731	YIVZMJUEQMNKLB-GXTWGEPZSA-N	318.377	1.638	50	20	DDGD	
O=C(NCCc1cn[nH]c1)NNc1ccc(C(=O)O)cc1F	1601515544	UZDNPJQOFOYLCO-UHFFFAOYSA-N	307.285	1.116	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CC[C@@](F)(C(=O)O)C1	1610618246	DTQHBCUHRROYJI-QARUFBMTSA-N	304.277	1.324	50	20	DDGD	
CC[C@H](Br)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(C)=O)C2	1801798438	PYEBOSLWXCRLMC-USZNOCQGSA-N	317.227	1.818	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2c[nH]c(C(=O)O)c2)c1	1610625787	CNEMYQXOYRBKDK-UHFFFAOYSA-N	305.681	1.390	50	20	DDGD	
CCC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(Cl)Cl	1802347156	AXHAMYMLAKMBTP-AYMMMOKOSA-N	321.204	1.407	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)NN=CC1(C)COC1	1549316677	STILBPGHVYLTOJ-WCQYABFASA-N	306.366	1.026	50	20	DDGD	
CCOCc1nc(C)cc(NNC(=O)[C@@]2(CC)CCNC2)n1	1578126763	CBAZJSNJHHFXRT-HNNXBMFYSA-N	307.398	1.154	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)[C@H]2CC[C@H](C3CC3)N2)c1	1579351833	WIEJEYCXRRWGDA-ZIAGYGMSSA-N	323.418	1.064	50	20	DDGD	
COc1cc(Cl)cc(C(=O)NNC(=O)[C@H]2CCCNC2)c1	1579155177	HIGXAHLGDGXPHP-VIFPVBQESA-N	311.769	1.109	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCCO1)c1ccccc1-c1nn[nH]n1	1588773155	ULEHGLKEIWUWQQ-ZDUSSCGKSA-N	314.349	1.276	50	20	DDGD	
C[C@H]1CC(=O)CC[C@@H]1C(=O)NNc1ccc(CC(=O)O)cc1	1594196060	FZAVUWDDWVQIGI-HZMBPMFUSA-N	304.346	1.762	50	20	DDGD	
O=C(O)COc1cccc(C(=O)NNc2ccc(Cl)cn2)c1	1595122602	RSANLVKQQLJXHA-UHFFFAOYSA-N	321.720	1.955	50	20	DDGD	
O=C(NCc1ccc(-c2nn[nH]n2)s1)NNc1ccccc1	1593136183	AUWMTFGGJYNPRF-UHFFFAOYSA-N	315.362	1.755	50	20	DDGD	
COCCN(CC(C)C)NC(=O)[C@H]1CCC[C@H](C(=O)O)C1	1599235392	YGXWTQBUPVONCX-STQMWFEESA-N	300.399	1.513	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cc(C)c(C(=O)O)[nH]2)cc1	1599484901	IKINGZSATIBIRX-UHFFFAOYSA-N	301.302	1.794	50	20	DDGD	
O=C(COc1cccc(Cl)c1)NNc1ncccc1C(=O)O	1594702285	OTSXURRIBUPPHZ-UHFFFAOYSA-N	321.720	1.955	50	20	DDGD	
CCc1c(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)ccn1C	1590874182	IZWRTOXCZVYIQW-UHFFFAOYSA-N	311.349	1.525	50	20	DDGD	
COc1cccc(NNC(=O)/C=C/c2cc(C(=O)O)co2)n1	1599679668	AEJJWLDKNHXZFL-AATRIKPKSA-N	303.274	1.538	50	20	DDGD	
CO[C@@H]1CC[C@H](NC(=O)NNc2ccc(CC(=O)O)cc2)C1	1599102373	KXQNGDFSOMIGIO-QWHCGFSZSA-N	307.350	1.507	50	20	DDGD	
COc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1C(=O)O	1776122674	HYXNQLHTFKJTTE-XYOKQWHBSA-N	300.314	1.923	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2nc3c([nH]2)CCCC3)cc1	1776101314	BHFRRYRVQZZWEN-UHFFFAOYSA-N	312.329	1.751	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)c1ccccc1F)c1ccccc1	15508010	PLXRNDIEWWTCEG-AWEZNQCLSA-N	302.305	1.974	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Cc1ccc(F)cc1	15528927	NLIONECTLTVKEX-UHFFFAOYSA-N	302.305	1.838	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1cccc(-c2cccs2)c1	161155589	GZIYAVBESIGAMM-UHFFFAOYSA-N	303.343	1.521	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccccc1N(C)C1CCCC1	161270202	PLCMVMDYFPVBLW-UHFFFAOYSA-N	318.377	1.171	50	20	DDGD	
CCc1ccc(CC(=O)NNC(=O)Cn2nc(C)cc2C)cc1	158501072	KYOJCOBJNSMUFP-UHFFFAOYSA-N	314.389	1.452	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cccc(C#N)c1)C1CCCCC1	164710147	GJFZVTQGJLPAQD-UHFFFAOYSA-N	314.389	1.584	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2ccc(N3CCCC3)nn2)c1	152275200	BFOVRTSLZLDUPR-UHFFFAOYSA-N	308.345	1.705	50	20	DDGD	
Cc1sc(=O)n(CC(=O)NNc2cccc(C#N)c2)c1C	152407702	NUUDRIKFRIHLNN-UHFFFAOYSA-N	302.359	1.542	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)Cc2ccccc2F)[nH]n1	153197555	DISQEGJBSWAYIZ-VIFPVBQESA-N	304.325	1.497	50	20	DDGD	
COc1cccc([C@H](C)C(=O)NNC(=O)c2cc(C)n[nH]2)c1	153235387	RLWHVEQZBYRMMK-JTQLQIEISA-N	302.334	1.291	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1	155327177	LZAUCFLJEOQQRE-ZDUSSCGKSA-N	324.340	1.643	50	20	DDGD	
Cc1cn(CC(=O)NNc2ncnc3nc[nH]c23)c2ccccc12	156319576	NPPYIKLMGHUKPJ-UHFFFAOYSA-N	321.344	1.759	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccc3c(c2)NC(=O)CO3)cc1	155486430	UQDJQRZDZQPSPP-UHFFFAOYSA-N	308.297	1.646	50	20	DDGD	
O=C1COc2ccc(C(=O)NNc3ccncc3Cl)cc2N1	154508313	GICLTMNXBOAGJW-UHFFFAOYSA-N	318.720	1.823	50	20	DDGD	
C=CCC(CC=C)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	159145707	ULVMOOPYJSHRNR-CYBMUJFWSA-N	300.424	1.247	50	20	DDGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)NCCOC)cc1OC	207822461	QIIPYJOWDKTSOC-UVTDQMKNSA-N	316.357	1.930	50	20	DDGD	
CC(C)(CNS(=O)(=O)c1ccc(CCl)cc1)OCCO	312761317	CJSNLPOEFNQFIS-UHFFFAOYSA-N	321.826	1.491	50	20	DDGD	
O=C(CCl)N[C@@H](CCN1CCOCC1)c1ccc(F)cc1	1887504400	GIFOIAGJHGFUPV-AWEZNQCLSA-N	314.788	1.944	50	20	DDGD	
O=C(NNS(=O)(=O)c1cc(F)ccc1Cl)c1ccc[nH]1	103058025	KBKKYIGQKWFXHE-UHFFFAOYSA-N	317.729	1.431	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCC(F)(F)F	54091242	KWBOLHVKHFAADX-ZETCQYMHSA-N	323.246	1.486	50	20	DDGD	
COC(=O)/C(C#N)=C\c1ccccc1OCC(=O)NCC1CC1	116266330	YVDQNQGHARUDDS-ZSOIEALJSA-N	314.341	1.672	50	20	DDGD	
CN1CCC(CCNC(=O)NNC(=O)OC(C)(C)C)CC1	103320549	GIFOZRRJWPJXLJ-UHFFFAOYSA-N	300.403	1.457	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2ccc(C(N)=O)c(F)c2)n1	179837736	WUCKQLILEABDNG-UHFFFAOYSA-N	318.312	1.480	50	20	DDGD	
Cc1ncccc1C(=O)NNC(=O)COc1ccc(C#N)cc1	170975953	ZMMMCEKCEQDYHS-UHFFFAOYSA-N	310.313	1.102	50	20	DDGD	
CSC[C@H](C)C(=O)NNC(=O)NCCc1cccs1	66829605	XQNTYKXBXPJLJB-VIFPVBQESA-N	301.437	1.620	50	20	DDGD	
CCN(CC)CC(=O)NNC(=O)Cc1ccc2ccccc2c1	63760758	NVRZZWPFVWHQLT-UHFFFAOYSA-N	313.401	1.872	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@@H]1C[C@H]1c1c(F)cccc1F	116562456	SMGIDALNDFPTSP-PRHODGIISA-N	320.299	1.793	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1ccc2oc(=O)ccc2c1	170697046	QGKAWBJCGPMKOO-UHFFFAOYSA-N	324.296	1.655	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)/C=C/Sc2ccccc2)[nH]n1	178371213	CZVVCSIUWZDBJQ-BQYQJAHWSA-N	302.359	1.785	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)N[C@@H]1CCCOCC1	179635430	AKUPRDPYVFSODT-GFCCVEGCSA-N	317.345	1.946	50	20	DDGD	
O=C(CCn1ccnn1)NNc1ccccc1Br	178905148	LTHJNNRZWSIJAE-UHFFFAOYSA-N	310.155	1.574	50	20	DDGD	
COCCN(CC(=O)N(C)C)C(=O)c1cccc(CCl)c1	37831207	ONDFXTVZZXHCPQ-UHFFFAOYSA-N	312.797	1.602	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)c1cc(C)n[nH]1	184922092	IMQIJOYTORLNKR-YPMHNXCESA-N	308.382	1.465	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)N[C@@H]1CCN(c2ccccn2)C1	128304430	AMGQBFDLTXTJJN-GFCCVEGCSA-N	319.409	1.427	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C(=O)Nc2ccccc2)cc1	78876239	VKFSQEGNNAIPQF-UHFFFAOYSA-N	311.341	1.649	50	20	DDGD	
CC(C)(C)[S@](=O)CCNC(=O)NNc1cccc(C#N)c1	120231162	UEBMWVWQBKHPTH-NRFANRHFSA-N	308.407	1.732	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCc1ncc(C(C)(C)C)o1	186795813	GWVDZSPVVVVQQS-UHFFFAOYSA-N	318.377	1.704	50	20	DDGD	
CC(C)N1CC[C@H](NC(=O)NNc2cc(Cl)ccn2)C1=O	181177583	KAJKWYWSGRHZCJ-JTQLQIEISA-N	311.773	1.370	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1ccnc(C)n1	77302522	LPMCYJWZLGKQHK-UHFFFAOYSA-N	314.345	1.187	50	20	DDGD	
C=CC[C@@H](C(=O)NNC(=O)C(=O)N1CCCC1)c1ccccc1	188850883	BCZJVKAMIUGHMV-CQSZACIVSA-N	315.373	1.116	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCc1ccc(C(N)=O)cc1	193921484	IMRHOIMHGHJXNF-DHDCSXOGSA-N	321.336	1.714	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCOc1cccc(C)c1	139681924	HIJSVLIPXFVNNU-UHFFFAOYSA-N	309.366	1.131	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccc(Cl)cc1Cl	192995575	APNLCOBWCICMRE-UHFFFAOYSA-N	321.160	1.417	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cccc2c1OCCO2	191898114	PIHNYYZXICEJCA-UHFFFAOYSA-N	311.301	1.257	50	20	DDGD	
O=C(CCc1c[nH]cn1)NNC(=O)NCc1ccc(Cl)cc1	194218610	UEMVSHRIRMOKBR-UHFFFAOYSA-N	321.768	1.526	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](C)N2[C@@H](C)CC[C@H]2C)nc1	133713435	MLOKBWJHTUNPER-TUAOUCFPSA-N	320.393	1.573	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2ccccc2C=O)o1	84380454	GYBYKNZPTUIBRY-UHFFFAOYSA-N	302.286	1.241	50	20	DDGD	
O=C(CCOCC(F)F)NNC(=O)CCc1ccccc1	190870576	WZFBAFBMCVYCQY-UHFFFAOYSA-N	300.305	1.438	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCc1cc(F)ccc1F	83216028	HLVQCCQUJYWUMD-UHFFFAOYSA-N	320.299	1.433	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NNC(=O)COc1ccc(C)c(C)c1	220625420	MUTQVLMUPIQPOV-LCYFTJDESA-N	317.345	1.274	50	20	DDGD	
O=C(NNc1c(Cl)cccc1Cl)[C@@H]1CCS(=O)(=O)C1	133329513	UQAPHCDJJHEWAI-SSDOTTSWSA-N	323.201	1.871	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)CC1CCCC1	195212731	LCGGCKWIXFZWGZ-BZNIZROVSA-N	318.373	1.943	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cnn(-c3ccccn3)c2C)n1	192455915	LHDPBGGNHDNEEL-UHFFFAOYSA-N	323.360	1.739	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)c1ccccc1O)CN1CCCC1	193381451	JGNBMJNNLJTVIU-GFCCVEGCSA-N	320.393	1.068	50	20	DDGD	
O=C(NCc1ccc([N+](=O)[O-])cc1)NNc1ccc(Cl)nn1	193862684	HCZXDULGOIPHTK-UHFFFAOYSA-N	322.712	1.865	50	20	DDGD	
Cc1c(NNC(=O)CNC(=O)CCC(C)C)cccc1[N+](=O)[O-]	269608273	NLMKZECLSCDOSO-UHFFFAOYSA-N	322.365	1.899	50	20	DDGD	
C[C@@H](CCc1ccco1)NC(=O)NNC(=O)Cc1ccncc1	266996118	XQJDJROXYISOFJ-LBPRGKRZSA-N	316.361	1.569	50	20	DDGD	
C=CCC(CC=C)C(=O)NNC(=O)COc1ccccc1O	268187526	JZJMUBKCANOBTI-UHFFFAOYSA-N	304.346	1.687	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1ccc(OCC#N)cc1	263934869	MSCUUENLJGGITH-UHFFFAOYSA-N	304.350	1.465	50	20	DDGD	
C[C@H](NC(=O)NN(C)c1ccccc1)[C@@H](C)N1CCOCC1	265509126	FOELMHFOENHRGH-UONOGXRCSA-N	306.410	1.446	50	20	DDGD	
Cc1c([N+](=O)[O-])cc(C(=O)NNC(=O)C2CCC2)cc1[N+](=O)[O-]	264721309	CXDBNNSPIVRKET-UHFFFAOYSA-N	322.277	1.373	50	20	DDGD	
Cc1n[nH]cc1CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	263997074	PZMHPUWHCSZARV-YIXHJXPBSA-N	308.345	1.460	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1cnc2c(c1)COCC2	363870874	XUEDFVJAYQXTIS-UHFFFAOYSA-N	313.317	1.016	50	20	DDGD	
CCc1ncsc1NC(=O)NNC(=O)Cn1nc(C)cc1C	273503117	ZBIILUMAGDHBFY-UHFFFAOYSA-N	322.394	1.372	50	20	DDGD	
COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NNC(=O)C2CC2)c1	276263049	SUTSHQWGOLADLR-WCQYABFASA-N	304.346	1.365	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)Cc2ccco2)nc1C	272157471	HAOUXVYDUZZLHO-UHFFFAOYSA-N	304.306	1.241	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNC(=O)CSc1ccccc1O	271008959	GQLXNZWPDCZMRL-CQSZACIVSA-N	312.391	1.183	50	20	DDGD	
CN1CCN([C@H](C(=O)N2CC=C(C#N)CC2)c2ccccc2)CC1	271150614	URQXWXQRBVYUDV-SFHVURJKSA-N	324.428	1.657	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CCn3ccnc3C2)c1	371676954	QAVSYQPMQZTVRL-LLVKDONJSA-N	314.345	1.375	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(F)c1Cl	288047599	MAKGRBYSHLLGLS-SSDOTTSWSA-N	315.732	1.611	50	20	DDGD	
CC1=C(C)CN(CC(=O)NNC(=O)c2ccc(F)cc2)CC1	280688255	HIMLEAUKOKFKPQ-UHFFFAOYSA-N	305.353	1.629	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNC(=O)c1ccccc1OC	289731735	MQMOKIOBDRPYNG-SNVBAGLBSA-N	308.334	1.046	50	20	DDGD	
CC(C)(C)[C@H]1CN(C(=O)NNC(=O)c2ccccc2)CCO1	280111222	OVTZGWLHIFFMJN-CYBMUJFWSA-N	305.378	1.788	50	20	DDGD	
CC(C)Cn1cc(NC(=O)C(=O)NNc2ncccc2F)cn1	807300501	NQGMJBOBVLWVAA-UHFFFAOYSA-N	320.328	1.155	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@H]2CC(=O)N(C)C2)cc1C	291248116	PDPMOPCOQLQWCL-NSHDSACASA-N	319.361	1.093	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc2c(cc1Cl)OCCCO2	298469490	QMCKSGJUOBBQKP-UHFFFAOYSA-N	315.713	1.894	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802092921	IDVGNFGALNZAKF-NSHDSACASA-N	320.349	1.052	50	20	DDGD	
CC(C)Nc1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)cn1	295612092	QUUFFLUXEYHFEJ-GFCCVEGCSA-N	306.366	1.232	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1ccc[nH]1	299674966	TUBOKVCYRLGORS-NSHDSACASA-N	322.365	1.175	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=O)COc2ccc(C)cc2)o1	292560996	XZGCHPUHLKCRRI-UHFFFAOYSA-N	317.345	1.694	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1ccc(C#N)c(F)c1	290946754	ASDFCIODZHTBKS-UHFFFAOYSA-N	320.324	1.219	50	20	DDGD	
O=C(NNc1nnc[nH]1)c1ccnc(OC2CCCCC2)c1	293919709	MKVWTISWISMSAI-UHFFFAOYSA-N	302.338	1.668	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C1(SC)CCC1	807370213	WUEQDUCVCYVUQR-UHFFFAOYSA-N	304.412	1.209	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H](C(=O)NNc2ccc(SC)cc2)O1	295777837	ZFAIFKPBSCKUHR-NWDGAFQWSA-N	310.375	1.572	50	20	DDGD	
Cc1ccc(O[C@@H](C)C(=O)NNC(=O)N=c2cc[nH]cc2)cc1	802036474	XPRYGZOOKGQECN-LBPRGKRZSA-N	314.345	1.432	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCCCOC(C)C)cc1	298649700	MAUJNPYBTIHOKM-UHFFFAOYSA-N	323.393	1.519	50	20	DDGD	
Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NNc1ncccc1F	804217588	BYTXUICLOCHUAQ-UHFFFAOYSA-N	309.232	1.607	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)OC(C)(C)C	297247814	BPASXOLQRNMWLL-BXKDBHETSA-N	308.334	1.771	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@H](F)Cc1ccccc1	802034484	PXNROXRSCMKUKJ-CYBMUJFWSA-N	302.309	1.237	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCS1)Nc1ccc2c(c1)OCO2	802101109	GHPNYPWGAQEZJF-LLVKDONJSA-N	309.347	1.464	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2cccc(F)n2)ccc1F	807390565	GFMILNLHCWBUMN-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
C#Cc1cncc(C(=O)NNC(=O)CCc2ccccc2O)c1	806807759	TWOGLSYAEOYPGM-UHFFFAOYSA-N	309.325	1.162	50	20	DDGD	
COc1ccc(C(=O)NNc2cnnn2C)c(OC(F)F)c1	816769788	WJUWEKUCBLCYMV-UHFFFAOYSA-N	313.264	1.182	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@H]1C(=O)NNc1ncncc1F	817071126	QCMOWDKZKUBMQK-PRHODGIISA-N	304.281	1.287	50	20	DDGD	
O=C(NNC(=O)c1conc1C1CC1)c1ccc(Cl)cc1O	810176949	DFIONDUEEBEJTD-UHFFFAOYSA-N	321.720	1.986	50	20	DDGD	
COCCCNC(=O)NN=C1CC[C@@H](C(=O)O)C(C)(C)[C@@H]1C	814820137	YFUBAKKMYGPBPG-MNOVXSKESA-N	313.398	1.835	50	20	DDGD	
C[C@H]1CC(=NNC(=O)Cc2cc[nH]n2)CN1Cc1ccccc1	814954969	RQSCOPYOQRKHTK-ZDUSSCGKSA-N	311.389	1.719	50	20	DDGD	
C[C@H]1CN(C2CC2)CC1=NNC(=O)COc1ccccc1O	814952155	MZFWXCDAJNZIKY-NSHDSACASA-N	303.362	1.357	50	20	DDGD	
CN(C)[C@H]1CCCC(=NNC(=O)COc2ccccc2O)C1	814951490	GFPJHWKCZCUCQW-ZDUSSCGKSA-N	305.378	1.747	50	20	DDGD	
N#Cc1cccc(C(=O)NN=Cc2ccccc2-n2cncn2)c1	814836239	KWNAKJCERXSFQP-UHFFFAOYSA-N	316.324	1.903	50	20	DDGD	
O=C(NN=Cc1ccc2c(c1)OCCCCO2)c1ccnnc1	817341164	LRZHQYHJWFRIBT-UHFFFAOYSA-N	312.329	1.792	50	20	DDGD	
COC(=O)Nc1ccccc1C(=O)NNC(=O)c1ccccn1	729257853	TZBGSBGOHDZHFN-UHFFFAOYSA-N	314.301	1.335	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1cc2c(s1)CCC2)n1cccn1	819008545	ZKRJONCJBFJYPK-SNVBAGLBSA-N	318.402	1.846	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)COc2cccnc2)o1	728069729	BTUVNWDVMHNOIB-UHFFFAOYSA-N	301.306	1.587	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C	726616952	XJWIUAICXJGMMS-NWDGAFQWSA-N	312.414	1.152	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)n[nH]1	824342180	MIAIWWVXNXUQMZ-UHFFFAOYSA-N	312.337	1.470	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H](C)OCC(C)C)cc1	728204414	LUHGHUKTLJNSCB-ZDUSSCGKSA-N	307.394	1.615	50	20	DDGD	
CC(C)Cn1cc(NC(=O)NNC(=O)c2cccc(F)n2)cn1	821456047	ZMXNBHWABIRSRL-UHFFFAOYSA-N	320.328	1.540	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CCCCN2C)c(F)c1	823479469	IYMLBGCLIHEDFX-ZDUSSCGKSA-N	309.341	1.540	50	20	DDGD	
COc1ccc(C)cc1CC(=O)NNC(=O)c1cccc(C#N)c1	728828657	VKFDXRIQFSQCAQ-UHFFFAOYSA-N	323.352	1.879	50	20	DDGD	
CO[C@@H](C)CCNC(=O)NNC(=O)Cc1ccc(Cl)cc1	726714700	VLTYXPBSOLVEPV-JTQLQIEISA-N	313.785	1.638	50	20	DDGD	
CCOC(=O)N[C@@H](C(=O)NNC(=O)c1ccc(C)o1)C(C)C	493116203	UQFGEAVSIIGCRN-LLVKDONJSA-N	311.338	1.120	50	20	DDGD	
C[C@@H]1CSCC1=NNC(=O)NCCNC(=O)OC(C)(C)C	495678348	YDGILUKCNBHWCI-SECBINFHSA-N	316.427	1.549	50	20	DDGD	
OB(O)c1ccc(CNCCCc2cc(F)cc(F)c2)cc1	585034761	NRDOXBPHSVCEDT-UHFFFAOYSA-N	305.133	1.367	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(OC)c1	496817327	RAMKVZVSUKOYNA-UHFFFAOYSA-N	315.713	1.064	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)CCc1cccc(Cl)c1	495809560	KHURONWJXVLEFV-UHFFFAOYSA-N	306.771	1.463	50	20	DDGD	
CCCCC(COC)=NNC(=O)CNC(=O)OC(C)(C)C	494725530	IYFAAVGBEPPUHE-UHFFFAOYSA-N	301.387	1.820	50	20	DDGD	
CCN(CCO)NC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1	823834059	QFZJCUOFSPQCDZ-NSHDSACASA-N	322.434	1.703	50	20	DDGD	
COC(=O)N(C)NC(=O)COc1cccc(NC(=O)C2CC2)c1	495825497	QNLZKEDJZWUWDY-UHFFFAOYSA-N	321.333	1.143	50	20	DDGD	
O=C(NCB(O)O)c1ccccc1OCc1ccc(Cl)cc1	585054151	INISWUDXYFSQOM-UHFFFAOYSA-N	319.553	1.661	50	20	DDGD	
C[C@@]1(C(=O)NCCNc2ccc(C#N)cn2)C[C@H]1Br	906066078	IMBRESNURRMAJX-ZWNOBZJWSA-N	323.194	1.655	50	20	DDGD	
C[C@@]1(C(=O)NCc2ccc(C(N)=O)o2)C[C@@H]1Br	906888333	DJZOFGGQNVWSKI-GZMMTYOYSA-N	301.140	1.168	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1csc(C(=O)OC)c1	901419262	XTJWNBIBBLPDGO-GHXNOFRVSA-N	322.386	1.984	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C	493152243	BJWADCANGVJPLJ-NSHDSACASA-N	315.414	1.683	50	20	DDGD	
C[C@@H](COc1cccc(F)c1)NCc1ccc(B(O)O)cc1F	585018617	NGDLTVWYBDUEPB-NSHDSACASA-N	321.132	1.202	50	20	DDGD	
CCNC(=O)N1CCN(C(=O)[C@]2(C)C[C@@H]2Br)CC1	905480380	AOWAQKBMUZZYIQ-JOYOIKCWSA-N	318.215	1.034	50	20	DDGD	
C[C@H]1CC(=O)Nc2ccc(C(=O)NNC(=O)CC3CC3)cc2N1	908447988	GMPQCJOJWLDNEB-VIFPVBQESA-N	316.361	1.390	50	20	DDGD	
C[C@H](N)C[C@H](C)NC(=O)NNC(=O)c1cccc2ncccc12	831212387	OMIKUTHJMCCJPK-QWRGUYRKSA-N	315.377	1.305	50	20	DDGD	
CC(=NNC(=O)c1ncon1)c1ccc(N2CCOCC2)cc1	901285781	MBZSUQHGMASOCV-UHFFFAOYSA-N	315.333	1.060	50	20	DDGD	
CON(C)C(=O)CCC(C)=NNC(=O)c1ccnc(N(C)C)c1	834957675	ZRBZTLPKSINMSG-UHFFFAOYSA-N	321.381	1.053	50	20	DDGD	
CC(C)N(C)CC(=O)NNc1cccc(Br)n1	837210328	KVAOOEZKJWNQPA-UHFFFAOYSA-N	301.188	1.627	50	20	DDGD	
O=C(NNc1ccc(F)cn1)N[C@@H]1C[C@@H]2CCCCN2C1=O	836692748	XKNBGABYPMNOFN-WDEREUQCSA-N	307.329	1.000	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCCO1)c1ccc2c(c1)CC(=O)N2	834988446	JVTIMQUAXNCQTE-CQSZACIVSA-N	301.346	1.591	50	20	DDGD	
CC(=NNC(=O)Cn1c(C)nc2ccccc21)c1cnn(C)n1	834926027	VAIGLFKKYCZQPG-UHFFFAOYSA-N	311.349	1.014	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)c2cccc(C#N)c2)c(C(C)C)n1	734103595	VUQGHAMHDHDCCB-UHFFFAOYSA-N	323.356	1.855	50	20	DDGD	
CC(C)(CNC(=O)[C@]1(C)C[C@@H]1Br)S(C)(=O)=O	906906785	KSOLWMRYTCDKSX-OIBJUYFYSA-N	312.229	1.099	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1	732754915	KYOAUETUCMZCFF-STQMWFEESA-N	324.425	1.154	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)C(=O)Nc2cnsn2)cc1	839515497	UTQCJXMEYYMUAO-UHFFFAOYSA-N	319.390	1.917	50	20	DDGD	
CC(C)Oc1ccc(NCc2ccc(B(O)O)cc2F)cc1	585012916	RVYUZBRMDBZOAW-UHFFFAOYSA-N	303.142	1.905	50	20	DDGD	
CC(C)Oc1ncccc1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	831307112	RVKUXLFQVCNTQA-GHMZBOCLSA-N	322.365	1.447	50	20	DDGD	
OB(O)[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)s2)C1	585078894	PAJQSHLNXZGXNS-JTQLQIEISA-N	323.614	1.835	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](O)CCSC)c1F	837062060	YKQBMSFMWLLRSO-JTQLQIEISA-N	316.354	1.169	50	20	DDGD	
CO[C@@H](C1CC1)[C@H](C)NC(=O)NNC(=O)Cc1ccccc1F	836642039	PRTLULAPKDUNGR-ZUZCIYMTSA-N	323.368	1.512	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)Cc2ccoc2)cc1	733794537	RMFZAIVVZSCOSA-UHFFFAOYSA-N	301.346	1.481	50	20	DDGD	
O=C(NC[C@@H]1COCCO1)NNc1ccc(Cl)cc1F	914284053	CPGXDESONTWQLT-SECBINFHSA-N	303.721	1.521	50	20	DDGD	
CC(=NNC(=O)c1nn(C)c(=O)c2ccccc12)c1ccco1	916316378	VIODBJVCZPJOMK-UHFFFAOYSA-N	310.313	1.681	50	20	DDGD	
C[C@H](CC(=O)O)SCC(=O)NNC(=O)c1ccc(F)cc1	736551753	HLLYKNVPXJORBI-MRVPVSSYSA-N	314.338	1.183	50	20	DDGD	
COc1ccc(C[C@H](C)NS(=O)(=O)CCl)cc1OC	830414871	MCXKCXBVZWBPBT-VIFPVBQESA-N	307.799	1.751	50	20	DDGD	
C[C@H](CCc1ccc(F)cc1)C(=O)NNC(=O)c1ncon1	832830906	WNNUUGDXCHGHKC-SECBINFHSA-N	306.297	1.239	50	20	DDGD	
COCCN(C)NC(=O)c1cnn(-c2cccc(C)c2)c1C	837623132	YCFZCAXCEBXWLC-UHFFFAOYSA-N	302.378	1.712	50	20	DDGD	
CN1N=C(C(=O)NNC(=O)c2cccc3ccccc23)CCC1=O	741575908	QJBMLLAAIYVFQN-UHFFFAOYSA-N	324.340	1.209	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cc1)C1(CO)CCOCC1	837488297	LHSMECOJASSAPD-UHFFFAOYSA-N	318.295	1.938	50	20	DDGD	
Cc1cc(Cl)ccc1O[C@H](C)C(=O)NN(C)C[C@@H](C)O	910182152	GFFDGISWTCXSEM-GHMZBOCLSA-N	300.786	1.760	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@H](C)C(=O)OC(C)(C)C	840398109	HMPFFFLUODYOTE-LBPRGKRZSA-N	320.389	1.663	50	20	DDGD	
Cc1ccc2ncc(C(=O)NN(C)c3ccccc3)c(=O)n2c1	913471160	GPQHVFGPTLWPOP-UHFFFAOYSA-N	308.341	1.784	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@]1(C)C[C@@H]1Br	910580430	HIVQGZPQTAXMMS-WKEGUHRASA-N	301.144	1.102	50	20	DDGD	
CCS[C@@H]1CCCCN(CC(=O)NNC(=O)C(C)(C)C)C1	744399447	NBBVLWOUTCNEEB-GFCCVEGCSA-N	315.483	1.788	50	20	DDGD	
CO[C@H](C=NNC(=O)CCc1ccccc1O)[C@H]1CCOC1	841623207	GJPLUOFGYXWZLK-DZGCQCFKSA-N	306.362	1.478	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@H]2CO[C@H](C)C2)cc1	845282050	LUNKMZDRGGGMOW-ZWNOBZJWSA-N	307.350	1.206	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)CCc1ccccc1)[C@@H]1CCCNC1	841925582	AERXPLVUVSEUEM-DZGCQCFKSA-N	318.421	1.338	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@H]1SCCc2ccccc21	749612374	RZHIQWIGLGBQNP-CYBMUJFWSA-N	323.418	1.384	50	20	DDGD	
COCC1(C(=O)NNc2ccc(CC(=O)OC)cc2)CCC1	846375410	CCOWHPDIDRDYQE-UHFFFAOYSA-N	306.362	1.662	50	20	DDGD	
CCN1CCCN(C(=O)/C(C#N)=C/c2cnn(C)c2)[C@H](C)C1	910269359	FEPLCWMYMJSNOO-MGMWDDNKSA-N	301.394	1.270	50	20	DDGD	
O=C(NNC(=O)c1c[nH]nc1-c1ccncc1)c1ccccc1	916105009	UEMWFZCAXFHXHN-UHFFFAOYSA-N	307.313	1.547	50	20	DDGD	
COC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)C(C)(C)C	746779066	GGGMVNSJCCYNDU-CYBMUJFWSA-N	307.394	1.621	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1	741663215	ZKJLYOVNQREHKT-UHFFFAOYSA-N	319.405	1.766	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@H](c1ccccc1)C(F)(F)F	740738838	RCWPERHSESLZBZ-GFCCVEGCSA-N	317.311	1.683	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H](C)[C@H]2CCCNC2)c1	841928461	VFDHQAQRJWWCQW-AAEUAGOBSA-N	320.393	1.487	50	20	DDGD	
O=C(NC[C@H]1CNCCCO1)NNc1cc(F)c(F)c(F)c1	842007905	WCXKTZDDBCFLEK-SECBINFHSA-N	318.299	1.109	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1cn2ccccc2n1)C(F)(F)F	746562519	XEPVJHXETUMGSS-QMMMGPOBSA-N	314.267	1.223	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=Cc1ccncc1	916371870	NBZIOSHJDPOXIV-BFHYXJOUSA-N	304.394	1.277	50	20	DDGD	
CO[C@H](C=NNC(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CCOC1	841641595	YXKBYCGJOVSDSB-QMTHXVAHSA-N	321.333	1.574	50	20	DDGD	
O=C(NC[C@@H]1C[C@H](F)CN1)[C@@]12CC[C@@H](C[C@H]1Br)C2	846679414	UCQUMQMZHSQGCO-HKLXJQGRSA-N	319.218	1.756	50	20	DDGD	
CC(=NNC(=O)c1c[nH]nc1C)c1ccc([S@](C)=O)cc1	746373088	XRLXEDKAJOGQDX-NRFANRHFSA-N	304.375	1.610	50	20	DDGD	
O=C(NN=C/C=C/c1ccccc1[N+](=O)[O-])N1CCOCC1	745591182	RZQVNJLIHIDEHA-KPWOLLNUSA-N	304.306	1.636	50	20	DDGD	
CCNCCCNC(=O)NNC(=O)c1ccc(Cl)cc1F	841917899	PKJZVPXLCOFDRP-UHFFFAOYSA-N	316.764	1.423	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCc1ccc(O)cc1	749347305	RCWIQQSVPXJGKM-UHFFFAOYSA-N	313.357	1.887	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)COc1ccc(F)cc1)c1ccco1	741662080	KIOGADFNEKAKJD-SNVBAGLBSA-N	306.293	1.749	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNc1ccncn1)C(=O)OC(C)(C)C	848667689	KJUBHAZJYLLVKE-LLVKDONJSA-N	323.397	1.717	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1C	842587070	VDPYFUMYBVMUHA-AAEUAGOBSA-N	312.391	1.038	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)COc2cccc(C)c2)[nH]1	747628357	TZNYKTTUEXIPNV-UHFFFAOYSA-N	315.329	1.639	50	20	DDGD	
C[C@@H](Oc1cccc(F)c1)C(=O)NNc1ncnc2[nH]cnc12	743469873	WIPYNQCQTSUBEU-MRVPVSSYSA-N	316.296	1.403	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1C[C@H](C)[C@@H](C)[C@@H]1C	842165871	GVQDWGGKRZOWHB-ZNMIVQPWSA-N	317.433	1.661	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1	920862753	CVSITDPHAFGLKJ-AAEUAGOBSA-N	323.393	1.703	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNC(=O)CCOc1ccccc1	840300185	JUAKJHRPFIOPKK-ZDUSSCGKSA-N	322.361	1.192	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(Cl)c2)CCN1	841984761	DIULERVTUIAPCR-JOYOIKCWSA-N	310.785	1.425	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1)c1cnn(C)c1	920826344	DUDHMCLGKXYNGT-UPJWGTAASA-N	321.425	1.006	50	20	DDGD	
C[C@]1(CNC(=O)NCC2=CCCOC2)C[C@@H]1Br	856858068	PHLOBDUKLXXAGK-CMPLNLGQSA-N	303.200	1.806	50	20	DDGD	
CON(C)C(=O)CNC(=O)NNc1ccc(Cl)c(C)c1	922937232	OOEYKXMLQOOPCI-UHFFFAOYSA-N	300.746	1.294	50	20	DDGD	
CCO[C@@H]1COC[C@H]1NC(=O)NC[C@@]1(C)C[C@@H]1Br	856863180	LSWYDEOVLBBVCK-MWGHHZFTSA-N	321.215	1.263	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Nc2nc(C(C)(C)C)ns2)cn1	756356409	BMZGXOGBYAHVSM-UHFFFAOYSA-N	323.382	1.036	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2ccncn2)C[C@@H]1Br	856896852	HMUHTRYQIPDWLN-XVKPBYJWSA-N	300.160	1.276	50	20	DDGD	
Cc1cc(N(C)C)ccc1NC(=O)NNC(=O)c1ccccn1	755810959	YJYKWPYZIMQQEX-UHFFFAOYSA-N	313.361	1.923	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CCc2ccncn2)ccc1C	857267489	YSOCCTMUOKFWPF-UHFFFAOYSA-N	314.345	1.648	50	20	DDGD	
CC(C)N1CC(=NNC(=O)c2cccc(C(=O)O)c2)[C@@H](C)C1	853426243	QNBSETFEBQBHCW-NSHDSACASA-N	303.362	1.831	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@@H]1CCCCS1(=O)=O	855369512	OUMVKXXUDMYVRX-LBPRGKRZSA-N	300.355	1.545	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)[C@H]2COc3ccccc3O2)o1	753886970	AMKFCWRMCFDCFH-CQSZACIVSA-N	316.313	1.118	50	20	DDGD	
COCCN(C)NC(=O)CCC(=O)c1c(F)cccc1F	854412794	MMPUTXHEZKOLMU-UHFFFAOYSA-N	300.305	1.537	50	20	DDGD	
COc1ccc2cc(NC(=O)NNC(=O)C3CC3)ccc2n1	753936142	UGSRWZUPFQKGQN-UHFFFAOYSA-N	300.318	1.806	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc2cnccc2[nH]1	929426286	IYWGXXPLVXJYID-UHFFFAOYSA-N	321.406	1.051	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@@]1(C)CCOc2ccccc21	929435799	PHHYXVDAOJEQED-KRWDZBQOSA-N	313.357	1.527	50	20	DDGD	
C[C@@H]1C[C@H]1C=NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1	758367487	MNIOEDNECFUACI-PWSUYJOCSA-N	309.391	1.309	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(C3CC3)n(C)n2)nc1	759737978	JFLQMYMELDIDNY-UHFFFAOYSA-N	315.333	1.236	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1ncoc1-c1ccon1	857488604	VUWCXRPARZSXPN-UHFFFAOYSA-N	305.681	1.557	50	20	DDGD	
CN(C)C(=O)Cc1ccc(NC(=O)NNC(=O)CC2CC2)cc1	755915725	CNJJBHKIDZSSAT-UHFFFAOYSA-N	318.377	1.270	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1noc2c1COCC2	857861433	QTPDIAPDCGERQR-UHFFFAOYSA-N	317.301	1.291	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccn(-c2ccccc2Cl)n1	757724378	GEHIXSICEREIRW-UHFFFAOYSA-N	323.740	1.325	50	20	DDGD	
O=C(NCC(F)(F)F)NN=Cc1n[nH]nc1-c1ccccc1	755663206	YDUDEIDDROAOFY-UHFFFAOYSA-N	312.255	1.667	50	20	DDGD	
CCC(CC)c1nnc(NC(=O)NNC(=O)COC)s1	755518316	WIWJLDLMAGNOLT-UHFFFAOYSA-N	301.372	1.241	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1ccc2nsnc2c1	753415582	GGVCEQDBZOYSPR-UHFFFAOYSA-N	306.738	1.892	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@]1(C)C[C@H]1Br	857385186	FISYJKDQMLYRLH-IRUJWGPZSA-N	314.227	1.888	50	20	DDGD	
C/C=C(/C)C(=O)NNC(=O)[C@H](C)Oc1ccc(OCC)cc1	751188838	OJDGDUBXSYGGSG-QJGQKNTRSA-N	306.362	1.966	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)C1[C@H]2CCC[C@H]12	753080330	XQKBPPFZNYLBGV-QWRGUYRKSA-N	309.460	1.832	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)CC(F)(F)F)c1ccc(F)cc1	862057103	DUOJYBIZKPWRNB-JTQLQIEISA-N	308.231	1.613	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)c2cnn(CCN(C)C)c2)c1	866872006	FHXNVNYFIUIFDR-UHFFFAOYSA-N	301.394	1.818	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCCC(=O)OC(C)(C)C	866865153	TXJWQKZGOIHJRJ-UHFFFAOYSA-N	313.847	1.903	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1coc(C2CCOCC2)n1	767580534	VQAHJXIYKPEZHB-UHFFFAOYSA-N	307.350	1.520	50	20	DDGD	
CC(C)N1CCC[C@H]1C(=O)NNC(=O)CCOc1ccccc1	931164395	OEEHTJRHLVBYKZ-HNNXBMFYSA-N	319.405	1.476	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)Cc2cccc(C)c2Cl)n[nH]1	869016667	OKLMPSTUNNJDLV-UHFFFAOYSA-N	320.780	1.613	50	20	DDGD	
CSc1ccc2c(c1)C(=NNC(=O)[C@H]1CCC(=O)N1)CCC2	863151947	YKZFYIGTRMKJKD-CQSZACIVSA-N	317.414	1.844	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN[C@@H](C)C(F)(F)F)n1	862304784	STUHNKGNDBPTER-QMMMGPOBSA-N	308.329	1.757	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC[C@](O)(c2ccccc2)C1	862804935	XEJWJCMDSYOFFO-ABDJAZHISA-N	300.358	1.941	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccc[nH]1)c1cccc([N+](=O)[O-])c1	761418944	JEPQYSDGWZAABU-VIFPVBQESA-N	302.290	1.488	50	20	DDGD	
O=C(NC[C@@H]1COCCN1)NNc1cc(Cl)cc(Cl)c1	861684541	NVELOAJZUQQWRP-LLVKDONJSA-N	319.192	1.608	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2F)c(C)nn1	767644727	FDSTVEVXQMPEGH-UHFFFAOYSA-N	322.727	1.961	50	20	DDGD	
OB(O)c1cccc(CNc2cccc(OC(F)(F)F)c2)c1	864019400	GGUSYPYSWIBAKV-UHFFFAOYSA-N	311.068	1.877	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)C1=S=CC(Cl)=C1	760222582	FBJUDRYGZWHZAS-UHFFFAOYSA-N	321.749	1.419	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@H]32)n1	861460292	AGQOOIPBXZGYJV-NUEKZKHPSA-N	307.353	1.737	50	20	DDGD	
Cc1cccc(NNC(=O)c2cc3c(nc2O)CCCC3=O)n1	862524105	GXGPDZYYXPVHTM-UHFFFAOYSA-N	312.329	1.767	50	20	DDGD	
C[C@@]1(CNC(=O)NC2CC(C(=O)O)C2)C[C@@H]1Br	874408020	MAQIIRAXVRVOTQ-ATEBAYMDSA-N	305.172	1.322	50	20	DDGD	
CC(C)CN1C[C@H](C(=O)NNc2cc(Cl)ccn2)CC1=O	778449019	WQVLERFGMNMBTO-SNVBAGLBSA-N	310.785	1.683	50	20	DDGD	
Cc1cc(C(=O)NCCCSC#N)ccc1-n1cncn1	773588861	QNJQPBGYLMDJCO-UHFFFAOYSA-N	301.375	1.910	50	20	DDGD	
CC(C)[C@@](C)(O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	770212727	RYVDZNQJRKHRRD-XPSVCEGCSA-N	308.422	1.757	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CCn2cccn2)cc1C	873765664	VTYZIXNKDSJBBT-UHFFFAOYSA-N	317.418	1.908	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)c1nc2ccccc2s1)C1CC1	874914446	XFNUPQQGFJAUNR-LLVKDONJSA-N	305.359	1.482	50	20	DDGD	
Cn1ccc(NNC(=O)C2(CNC(=O)OC(C)(C)C)CC2)n1	1118049309	WVRHODGLAGQQTI-UHFFFAOYSA-N	309.370	1.168	50	20	DDGD	
CC[C@@H](NNC(=O)c1ccc[nH]1)C(=O)Nc1ccc(C)cc1	871872766	WPCRHAFOBKUJFL-CYBMUJFWSA-N	300.362	1.975	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CCCNC(=O)C1CC1	772833873	OPRGDFMZYPOXFC-UHFFFAOYSA-N	305.382	1.350	50	20	DDGD	
CC(=NNC(=O)C[N+](C)(C)C)c1cnn(Cc2ccccc2)c1	1116886097	FVUBRXWIJPWCFO-UHFFFAOYSA-O	314.413	1.478	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H]2CC[C@@H]2C(N)=O)c1	873756468	KVMVRPPHTAKNPW-WDEREUQCSA-N	320.418	1.133	50	20	DDGD	
CC(C)(CO)C(=O)NNC(=O)CSc1ccc(Cl)cc1	776315753	XWEYCKRETDIHCU-UHFFFAOYSA-N	316.810	1.598	50	20	DDGD	
COCc1nc(CNC(=O)NN=c2cc[nH]c(C)c2)cs1	875596222	IWIVAPOIQJEDPA-UHFFFAOYSA-N	307.379	1.241	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C	875870408	WXEAHMWUFJUTMP-MWLCHTKSSA-N	315.370	1.336	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(C2CC2)[nH]n1	771986842	ZNHPCKSDXPIZQM-VIFPVBQESA-N	322.365	1.026	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C1(O)CCC1	773000190	YSGAMGFIRBEOFU-VIFPVBQESA-N	312.753	1.170	50	20	DDGD	
CCOCC(=O)NN=Cc1c(Cl)cccc1S(C)(=O)=O	773205292	AORPCRFQARMTSB-UHFFFAOYSA-N	318.782	1.230	50	20	DDGD	
COc1cc(OC)c(C(=O)NNc2ccccn2)cc1OC	777474555	KJZNJXMAIZKCKE-UHFFFAOYSA-N	303.318	1.864	50	20	DDGD	
CCOCC(=O)COC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	777042938	HZRAECATEDORFK-WLRTZDKTSA-N	315.329	1.261	50	20	DDGD	
COC[C@@H](C)n1ccc(NC(=O)C(=O)NNc2ccccc2)n1	778694281	ZCIVLCKFAIVQCM-LLVKDONJSA-N	317.349	1.172	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2cc(C3CC3)n(C)n2)nc1	1122215020	QIWOKAIVLFQQQD-UHFFFAOYSA-N	300.366	1.827	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1Cl	779769576	YRKURQLREHLTJN-LLVKDONJSA-N	314.794	1.533	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)Nc1ccncn1	770764421	KOVIPKUIGSYLOF-UHFFFAOYSA-N	305.725	1.525	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](O)[C@H](C)c1ccc(C)cc1	887145491	GGAQKOMHNVIWBE-CZUORRHYSA-N	302.374	1.410	50	20	DDGD	
O=C(Cn1cc(C2CCCCCC2)nn1)NNC(=O)C1CC1	881292591	LEYRXEAZMXMULB-UHFFFAOYSA-N	305.382	1.273	50	20	DDGD	
CC(C)N1C(=O)C[C@@H](NC(=O)C2CCC(Cl)CC2)C1=O	1123731600	HTCNSLWEDNGERO-VQXHTEKXSA-N	300.786	1.436	50	20	DDGD	
CC[C@H](C)[C@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	780248443	YXCDGTYTCPTJDR-STQMWFEESA-N	320.389	1.981	50	20	DDGD	
O[C@]1(Cc2cn(/C=C/CBr)nn2)CCSC1	881294858	FISQRVHUMZEWCI-DTWDLQQISA-N	304.213	1.554	50	20	DDGD	
Cc1ccc(CNC(=O)NNc2ccc(F)cc2)c(=O)n1C	787339056	OKOWSOBREYLVCV-UHFFFAOYSA-N	304.325	1.659	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(F)cc1Cl)[C@@H](C)S(C)(=O)=O	885137047	MODDRMGAGBSSCY-JGVFFNPUSA-N	322.789	1.991	50	20	DDGD	
CN(C)[C@H]1CCCC(=NNC(=O)COc2ccc(C#N)cc2)C1	788415391	PFZUZCOPJDRVOG-HNNXBMFYSA-N	314.389	1.913	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)OC[C@@H](C)O)c1C	787562768	JGPSLYYNERGOKG-PWDRSIHYSA-N	306.362	1.582	50	20	DDGD	
NC(=O)[C@H]1CCC[C@@H](C(=O)NNc2nc3ccccc3[nH]2)C1	788003344	GRUGLPPPJOJILE-VHSXEESVSA-N	301.350	1.298	50	20	DDGD	
O=C(NN=C1CCOc2c(F)ccc(F)c21)N1CCOCC1	783837181	JBASIEXEEHBMAU-UHFFFAOYSA-N	311.288	1.493	50	20	DDGD	
C[C@@H]1C[C@H](NS(=O)(=O)CCl)CN1Cc1ccccc1	398049425	SKNRWABMKXKLPO-YPMHNXCESA-N	302.827	1.765	50	20	DDGD	
O=C(NNC(=O)c1cccc(C#CCO)c1)NC1CCCCC1	899940232	HTYDCRJKAWRHIC-UHFFFAOYSA-N	315.373	1.307	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@H]2CCN2C(C)(C)C)o1	895970000	BXJQMPDBPXFWIE-LLVKDONJSA-N	305.382	1.986	50	20	DDGD	
O=C(CC1OCCCO1)NNC(=O)c1cccc2ncccc12	793456815	YRKFPRWWGYWABJ-UHFFFAOYSA-N	315.329	1.149	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@@H]1CCC2(CCCCC2)O1	790631321	CTJCRAZCBOQEOH-LBPRGKRZSA-N	313.398	1.235	50	20	DDGD	
CC(Cn1cc(C(F)(F)F)ccc1=O)=NNC(=O)C1CC1	794455300	FBIPVSAQCQJTTI-UHFFFAOYSA-N	301.268	1.769	50	20	DDGD	
CSCC(=NNC(=O)N1CCN(C)CC1)c1ccccc1	790173548	JZNQTNHKOACRDF-UHFFFAOYSA-N	306.435	1.711	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)CC1CCC1	795160013	BTEMDIGNZACZCJ-UHFFFAOYSA-N	311.407	1.570	50	20	DDGD	
C[C@@H]1CCC[C@H]1CNC(=O)NNC(=O)c1cccc(C#N)c1	798512893	PPOGEDCYDWAKLZ-RISCZKNCSA-N	300.362	1.938	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)Nc1cccnc1	797359080	YRFKSNAMGNXZOT-CYBMUJFWSA-N	314.301	1.074	50	20	DDGD	
Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)CCl)s1	1319675247	XEMZMKZHRGENRZ-ZETCQYMHSA-N	305.812	1.530	50	20	DDGD	
CNC[C@@H](C)CNC(=O)NNC(=O)C(C)(C)c1ccccc1	1325681389	RWLCUTANBOOJJC-GFCCVEGCSA-N	306.410	1.150	50	20	DDGD	
CC(=NNC(=O)C[N+](C)(C)C)c1ccc(N2CCCC2=O)cc1	1321404014	KJDWKOZTSYSJOE-UHFFFAOYSA-O	317.413	1.360	50	20	DDGD	
COc1ccc2cc(C(=O)NNC(=O)CN(C)C)ccc2c1	1322805485	IDCYQPWSOASYOE-UHFFFAOYSA-N	301.346	1.171	50	20	DDGD	
CN(C)[C@H](C(=O)NNc1nncc(N)c1Cl)c1ccccc1	1324009826	XOXHSGNTSNQHIX-LBPRGKRZSA-N	320.784	1.458	50	20	DDGD	
CCc1cc(OCC(=O)NN(C)C(=S)NC)ccc1Cl	1334440491	KYEHXKKAJBUEKB-UHFFFAOYSA-N	315.826	1.749	50	20	DDGD	
Cc1c([C@H](C)NC(=O)NNC(=O)CC(F)(F)F)cnn1C	1337599914	IBDQPYUPTOVFJC-LURJTMIESA-N	307.276	1.072	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1nc(C(C)C)ncc1Cl	1251326346	SDWHBDOOZMTDMV-UHFFFAOYSA-N	315.830	1.771	50	20	DDGD	
O=C(CCc1ccc2c(c1)CCO2)NNC(=O)NC1CCCC1	1331971327	ORJFZDWPSUWUPC-UHFFFAOYSA-N	317.389	1.827	50	20	DDGD	
CC(C)[C@H](C#N)C=NNC(=O)Cn1nnc(-c2ccccc2)n1	1253448691	IJAJUMHUELTPDO-CYBMUJFWSA-N	311.349	1.238	50	20	DDGD	
O=C(C[C@@H]1CCOC1)NNc1cncc(Br)c1	1335988151	FHBGDXLRGAWACC-QMMMGPOBSA-N	300.156	1.714	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@]2(C)CC(C)=NO2)c1	1336057206	WEKOROBCYRLINX-OAHLLOKOSA-N	316.386	1.540	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2oc(S)nc2c1	1334453129	FMCVTVRRYGXXLU-APPZFPTMSA-N	321.358	1.303	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCCO2)N[C@H]1C=CCCC1	1340263610	WQYQLWCTHQWQOE-LBPRGKRZSA-N	317.345	1.511	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CC(c3cnn(C)c3)=NO2)cc1F	1347190514	JDVRKGSHKWFWRM-CQSZACIVSA-N	317.324	1.504	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21	1342246006	CGFKKJMRNCBTEM-GBJTYRQASA-N	315.373	1.224	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N(C)Cc1ccn(C)n1	1340476911	MOUCBSVBYZFJCF-UHFFFAOYSA-N	301.350	1.215	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCc1ccc(O)cc1	1261454056	XEAYYRIIXXSROV-RISCZKNCSA-N	321.377	1.080	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCc2nccn2C)cc1F	1347025288	JALRGBDNNMBSAM-UHFFFAOYSA-N	320.324	1.422	50	20	DDGD	
C[C@H]1CN(C(=O)C2CCC(Cl)CC2)[C@@H](C)CN1CCO	1520239013	FTRGMWWBWDISRE-FEPKRQSRSA-N	302.846	1.698	50	20	DDGD	
O=C(O)CNC(=O)NN=C(C[C@@H]1CCOC1)c1ccc(F)cc1	1608754097	FXWGCNWNRDXASG-JTQLQIEISA-N	323.324	1.340	50	20	DDGD	
C[C@@]1(C(=O)NC[C@H]2[C@@H](C(=O)O)C2(F)F)C[C@H]1Br	1604488600	ZHJKILWAOLFCNA-SOVPELCUSA-N	312.110	1.242	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)N[C@H]1CC=C(C(=O)O)C1	1608482183	WCOQJDUTSDPKDY-ZETCQYMHSA-N	315.251	1.903	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)c(F)c1)c1cc2n(n1)CCCC2	1601556115	AVKQWFHWEAKSBN-UHFFFAOYSA-N	318.308	1.814	50	20	DDGD	
CC(C)(CC=NNC(=O)Nc1ccc(C(=O)O)cc1)C(=O)O	1609674225	ZDQLLBFACRVTOB-UHFFFAOYSA-N	307.306	1.993	50	20	DDGD	
O=C(O)CCCCC(=O)NNc1ccc(Br)nc1	1601982241	HZSYXGPBKOTOHH-UHFFFAOYSA-N	316.155	1.932	50	20	DDGD	
O=C(O)C[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1ccccc1	1608770590	LDNKDZCQPOBDPF-NWDGAFQWSA-N	305.334	1.274	50	20	DDGD	
Cn1cc(C=NNC(=O)COc2ccc(F)cc2)cc1C(=O)O	1608106483	CYXGECKZFZRONK-UHFFFAOYSA-N	319.292	1.392	50	20	DDGD	
O=C(O)C[C@@H]1CN(C[C@H](CBr)C2CC2)CCO1	1601961396	KTYUTTDUNGXBPW-WDEREUQCSA-N	306.200	1.583	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H](C(=O)OC[C@@H](CBr)C2CC2)O1	1608804598	PECIJJHFIIFCDS-KXUCPTDWSA-N	321.167	1.583	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1	1601046447	USJOVWOBQLDBPA-VCEOMUNOSA-N	312.325	1.669	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cc3cccn3cn2)c(F)c1	1608905044	WIWZCIHSDJGUSP-UHFFFAOYSA-N	314.276	1.929	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(C(=O)O)cn2)cc1OC	1607206193	LKEIYUYAIFRPLO-UHFFFAOYSA-N	317.301	1.554	50	20	DDGD	
CCC(=O)N1CCCC2(CCN(C(=O)[C@H](O)CCl)CC2)C1	1809055574	FBXPGJUQADQHQW-GFCCVEGCSA-N	316.829	1.227	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1cc(Cl)cc(Cl)c1O	1610783200	JKLQNJFCVBVYDL-UHFFFAOYSA-N	306.105	1.417	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1cc(O)ccc1F	1549904853	NAQQMSXJKXCEAJ-XHDPSFHLSA-N	321.352	1.235	50	20	DDGD	
Cc1ccc2n[nH]cc2c1C(=O)NNC(=O)CCCCCN	1579737010	KBRHJKZXJSCSOL-UHFFFAOYSA-N	303.366	1.151	50	20	DDGD	
C[C@H](C(=O)O)n1cccc1C=NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	1589540282	UCYWZZNTGKSCEM-FOUMNBMASA-N	305.334	1.151	50	20	DDGD	
C[C@H](C(=O)O)[C@@H](NS(=O)(=O)CCCCl)c1ccccc1	1589467219	BBVKKYUFTUJTRA-CMPLNLGQSA-N	319.810	1.997	50	20	DDGD	
C/C(Cl)=C\C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1589903556	AZKPJUJBJCDCTI-GQCTYLIASA-N	311.733	1.564	50	20	DDGD	
COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)C(C)(C)C)C2	1846361396	RHFIGWPVUPGWTA-LLVKDONJSA-N	316.829	1.490	50	20	DDGD	
CN(NC(=O)Cc1ccc(C(=O)O)nc1)C(=O)OC(C)(C)C	1598540773	DQYJWBVPBAHLCS-UHFFFAOYSA-N	309.322	1.220	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCC(=O)C(=O)O)cc1	1592426522	UBOILSFHTCLTEK-XFFZJAGNSA-N	303.270	1.189	50	20	DDGD	
Cc1cc(NNC(=O)c2cn(CC(=O)O)nn2)ccc1Cl	1594325121	AYMVBGPNPNMCFQ-UHFFFAOYSA-N	309.713	1.081	50	20	DDGD	
O=C(O)[C@@]1(C(=O)NNc2cc(F)c(F)c(F)c2)CCCO1	1594865558	XFDCIWIBASSBFL-LBPRGKRZSA-N	304.224	1.181	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2ccc([N+](=O)[O-])o2)cc1	1776098840	BEFSFCDBKXHIJN-UHFFFAOYSA-N	303.230	1.650	50	20	DDGD	
CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cl)CC)C2	1795149662	NNVLDXZVSDXKDV-OPDFLTKYSA-N	316.829	1.394	50	20	DDGD	
N#Cc1cccc(NNC(=O)CNC(=O)OCC(F)(F)F)c1	152705269	SFFUGXVMJDZDFP-UHFFFAOYSA-N	316.239	1.290	50	20	DDGD	
CNS(=O)(=O)c1ccc(C(=O)NNc2cccc(F)c2)cc1	155024817	QWQQEUFMIVDHCI-UHFFFAOYSA-N	323.349	1.491	50	20	DDGD	
CCCC(=O)N1CSC[C@H]1C(=O)NNc1cccc(F)c1	154701632	DLFZQTVWQADBQI-LBPRGKRZSA-N	311.382	1.970	50	20	DDGD	
Cc1cccc(CCNC(=O)NNC(=O)c2ccccc2O)c1	156993126	DRNHLXXCHBYKGK-UHFFFAOYSA-N	313.357	1.887	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(-n2cncn2)c(F)c1	159055420	YEMVJDFCZWGURW-YFHOEESVSA-N	301.281	1.789	50	20	DDGD	
COC(=O)C[C@@H]1CCCCN1S(=O)(=O)CBr	127347395	OOGSTNOEQWCCFT-QMMMGPOBSA-N	314.201	1.086	50	20	DDGD	
O=S(=O)(CCCCl)N[C@H]1CCN(c2ccccn2)C1	882013587	ORWCADHBZBUAME-NSHDSACASA-N	303.815	1.209	50	20	DDGD	
CN(NS(=O)(=O)CCC(F)(F)F)C(=O)OC(C)(C)C	496075435	HEMYMHSNDPUMIS-UHFFFAOYSA-N	306.306	1.640	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1ccncc1Cl	174256141	ZFOQVICTHLKNTP-UHFFFAOYSA-N	324.793	1.983	50	20	DDGD	
C[C@@H](CBr)CN1CCN(C2CCOCC2)CC1	133852144	MZBRTYPHTJEFQD-LBPRGKRZSA-N	305.260	1.814	50	20	DDGD	
CO[C@@H](C)CC(=O)NNC(=O)c1cccc(OC(F)F)c1	171207462	ZZJIYLOKDVTHRZ-QMMMGPOBSA-N	302.277	1.474	50	20	DDGD	
COCC(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1	57394760	PKUHHSCTWFUGJM-NSHDSACASA-N	302.330	1.401	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)NC2CC2)cc1OC	53919430	UHYVZTIOTLGEKN-UHFFFAOYSA-N	321.377	1.981	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cc2ccccc2[nH]c1=O	171483269	WAHMOUOOSPCHQO-UHFFFAOYSA-N	301.346	1.725	50	20	DDGD	
CC[C@@H]1c2ccsc2CCN1CC(=O)NNC(=O)C1CC1	112976910	OCAWBWFCMWPISG-GFCCVEGCSA-N	307.419	1.615	50	20	DDGD	
CCn1nccc1/C=C/C(=O)NNC(=O)NC1CCCCC1	179229544	VCSJVXFYWZWDJN-CMDGGOBGSA-N	305.382	1.579	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)CCc2ccccc2)CC1	174448802	SLVZVWRUFMJBSE-UHFFFAOYSA-N	304.346	1.110	50	20	DDGD	
COc1cc(OC)c(C(=O)NNC(=O)NCC2CC2)cc1OC	65197740	JRKALJSWCJQLTD-UHFFFAOYSA-N	323.349	1.066	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CC[C@H]2CC[C@@H](C)O2)cc1	174980422	DARMGJZYXRMLMR-UKRRQHHQSA-N	320.389	1.869	50	20	DDGD	
COc1cccc(OCC(=O)NNC(=O)NCc2ccco2)c1	65175740	ZIDKTXPCTNBEDZ-UHFFFAOYSA-N	319.317	1.198	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21	66699972	VBPCJZCNKZPOJI-LBPRGKRZSA-N	323.393	1.968	50	20	DDGD	
C[C@@H]1CN(CCC(=O)NNC(=O)c2cccs2)C[C@@H](C)O1	68194967	BKEIKXISXIRRAE-GHMZBOCLSA-N	311.407	1.008	50	20	DDGD	
CCCC[C@@H](NC(N)=O)C(=O)NNc1cccc([N+](=O)[O-])c1	178867669	YWGAPPQKRICCGN-LLVKDONJSA-N	309.326	1.265	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cccc(OC(F)F)c1	65212190	TXFQHULZPMZJEV-UHFFFAOYSA-N	317.292	1.269	50	20	DDGD	
COc1ccc(Cl)c(S(=O)(=O)NNC(=O)C(C)(C)C)c1	112266324	QKBBJQBWTOCSRL-UHFFFAOYSA-N	320.798	1.704	50	20	DDGD	
O=C(CCCc1ccc2c(c1)CC(=O)N2)NNc1cnccn1	172264689	MSKZLRKQGIKYJX-UHFFFAOYSA-N	311.345	1.437	50	20	DDGD	
O=C(NNc1cccnn1)NC1CCN(c2ccncc2)CC1	1355927515	ZAKQFHRPZWVYPH-UHFFFAOYSA-N	313.365	1.167	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)c1ccc(C)o1	25413244	RJMJHKNCNHBDHL-UHFFFAOYSA-N	318.329	1.827	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(Br)c[nH]2)nc(C)n1	129014994	ZATOHUDXHSNHLH-UHFFFAOYSA-N	310.155	1.941	50	20	DDGD	
C[C@@H](OCc1ccccc1)C(=O)NNC(=O)c1ccc(C#N)cc1	129072493	LPZAMOVARCVXKW-CYBMUJFWSA-N	323.352	1.925	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc2ncccc2c1	180966296	CLEDLORXFQOEAX-UHFFFAOYSA-N	314.345	1.367	50	20	DDGD	
C=CCOc1cccc(NC(=O)NNC(=O)Cc2cc[nH]n2)c1	184589815	FWEPXJPXPHNRBI-UHFFFAOYSA-N	315.333	1.370	50	20	DDGD	
CCOc1ccccc1NC(=O)NNC(=O)c1cccn1C	182828931	WBUIHHGXERTGDK-UHFFFAOYSA-N	302.334	1.890	50	20	DDGD	
CCCN(CCC)CCCNC(=O)NNc1nccc(OC)n1	76579638	PAHYOXZPYAAEPB-UHFFFAOYSA-N	324.429	1.623	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)[C@@H]1C[C@@H]2CC[C@@H]1O2	124389887	YVUVKQBNOJBZRB-RNJXMRFFSA-N	302.256	1.506	50	20	DDGD	
COc1cccc(NNC(=O)CNC(=O)c2cccc(F)c2)n1	180699945	LUBBMRHCYYDFIZ-UHFFFAOYSA-N	318.308	1.102	50	20	DDGD	
Cc1cccc(OCCCC(=O)NNC(=O)[C@@H]2CCCO2)c1	32262135	UKIKBDAQLIMCQB-AWEZNQCLSA-N	306.362	1.480	50	20	DDGD	
Cc1[nH]c2ccccc2c1CC(=O)NNC(=O)[C@@H]1CCCO1	32261483	MKFZNJRPPZFPQM-AWEZNQCLSA-N	301.346	1.345	50	20	DDGD	
COCCn1ccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)n1	188356142	MZJQSYVEGOBAJP-RAXLEYEMSA-N	312.329	1.781	50	20	DDGD	
Cn1cnc(-c2ccc(C(=O)NNC(=O)c3ccccc3)cc2)n1	182239160	ZGXREQJZDLNBQP-UHFFFAOYSA-N	321.340	1.557	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)COCc1ccccc1	124423333	BTAHCJLBYILGKB-CYBMUJFWSA-N	306.362	1.332	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)Nc1ccncc1F	184144085	PPWSWABVARPMQC-UHFFFAOYSA-N	318.308	1.712	50	20	DDGD	
COc1cccc(NNC(=O)Cc2cnn(-c3ccccc3)c2)n1	180723724	XEBXCPWWASYDGP-UHFFFAOYSA-N	323.356	1.962	50	20	DDGD	
CCO[C@H]1C[C@@](N)(C(=O)NNc2nc(C)cc(C)n2)C1(C)C	187182924	GUHJYGIOZDBBBF-XHDPSFHLSA-N	307.398	1.069	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1ccccc1C	73314714	UBJPMGPLIVKQAG-UHFFFAOYSA-N	313.357	1.877	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccnn2C(C)C)cc1	134602395	JSHYGHIZLTVFOD-UHFFFAOYSA-N	315.377	1.646	50	20	DDGD	
CC(C)OCCC(=O)NNc1cccc(S(C)(=O)=O)c1	181157673	QZUHVFHFLAFKIO-UHFFFAOYSA-N	300.380	1.348	50	20	DDGD	
CCNC(=O)NNC(=O)C1(c2ccc(OC)cc2)CCOCC1	139142958	YGQKNMDDBNYERW-UHFFFAOYSA-N	321.377	1.094	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NNC(=O)c1ccncc1	184520907	HRSHZSRZNKTGQS-TZMCWYRMSA-N	305.378	1.828	50	20	DDGD	
CC1CCN(CCCNC(=O)NNC(=O)OC(C)(C)C)CC1	45122665	NYNSZPLCUPFLBQ-UHFFFAOYSA-N	314.430	1.847	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)C1[C@H]2CCC[C@@H]12	130928609	MSOKBSIXOFQNSH-YWXMQNBFSA-N	320.414	1.981	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cc(F)c(Cl)cc1F	134279514	ZKAQZGLKFKIFTI-JTQLQIEISA-N	304.680	1.558	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)C(=O)Nc2cccn(C)c2=O)c1	131819191	VVCMGUMDYZKNJO-UHFFFAOYSA-N	314.345	1.084	50	20	DDGD	
CC(C)(C(=O)NNc1ccncc1Cl)n1cc([N+](=O)[O-])cn1	135877156	HENGUTIVQGEBTC-UHFFFAOYSA-N	324.728	1.718	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCCN1CCOCC1	192544027	WYQFGTDIPLPCOX-SDNWHVSQSA-N	303.337	1.181	50	20	DDGD	
C#CCN1CCC(C(=O)NNc2cc(C#N)cc(Cl)n2)CC1	93545760	BJBPBQQXPJDLMX-UHFFFAOYSA-N	317.780	1.395	50	20	DDGD	
C[C@@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)NNC(=O)c2ccc[nH]2)C1	98034241	OWQLKXGYWBAOCY-JHJVBQTASA-N	321.425	1.325	50	20	DDGD	
CC[C@@H](C)[C@H](O)CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	268596748	LTKRFZGOJHLTDZ-AZPNXECFSA-N	314.389	1.635	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@]12CCc1ccccc12)c1ccccn1	266526232	DJHIGINJHWYIOD-KSSFIOAISA-N	307.353	1.747	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)[C@H](F)C(F)(F)F	365693960	XUYXKKSYGIJYBF-LURJTMIESA-N	321.259	1.944	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H](C)Oc2ccccc2F)no1	265018411	CCRRVPTYYGCGPC-JTQLQIEISA-N	321.308	1.280	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCNC(=O)[C@H]1c1ccccc1F	363759665	XYROJOAIROKPBW-IWMPZKFUSA-N	317.320	1.269	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CC(C)C)c(Cl)c1	274223181	VPAMSLPQTOBZGL-UHFFFAOYSA-N	311.769	1.780	50	20	DDGD	
CCC[C@H]1C[C@H](C(=O)NNC(=O)c2cccc(C)n2)CCO1	279879137	XBCGFYCKDNLJHN-OLZOCXBDSA-N	305.378	1.746	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(CC)cc1	276510877	DWLSLOQMXHSGCN-UHFFFAOYSA-N	308.378	1.799	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cccc(S(C)(=O)=O)c1	273309652	HOCBTKUXDUHURI-UHFFFAOYSA-N	313.379	1.289	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1cc(F)ccc1Cl	274244248	YHSGIOCUPHLYHO-UHFFFAOYSA-N	315.732	1.611	50	20	DDGD	
C=CCCCCNC(=O)NNC(=O)COc1ccc(F)cc1	274590601	IFBFMBSRFYBSCR-UHFFFAOYSA-N	309.341	1.891	50	20	DDGD	
O=C(COCC1CC1)NNC(=O)CSc1ccccc1O	270670606	FRJAGPLNOYNSKP-UHFFFAOYSA-N	310.375	1.058	50	20	DDGD	
CC(C)[C@H]1NCC[C@@H]1C(=O)NNc1nc(-c2ccccc2)no1	289867791	GUTSBIITEFJFBJ-QWHCGFSZSA-N	315.377	1.814	50	20	DDGD	
CO[C@H](CN)C(=O)NNc1c(F)cc(F)cc1Br	289864256	GREMPYYBZAMBGW-MRVPVSSYSA-N	324.125	1.144	50	20	DDGD	
C[C@H]1CCSCCN1CC(=O)NNC(=O)c1ccccc1	286071065	JQLVGUFMNGUMAM-LBPRGKRZSA-N	307.419	1.275	50	20	DDGD	
COCCN(C)NC(=O)[C@H](c1ccccc1)N1CCSCC1	288330437	DZEXIJQMDADIKU-HNNXBMFYSA-N	323.462	1.386	50	20	DDGD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NNc1nc(-c2cccnc2)no1	280465985	HTOCNLYPOBBZJH-ZJUUUORDSA-N	315.333	1.580	50	20	DDGD	
CC(C)[C@@H](O)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	285192294	VKUCYWGBGRFLII-NOZJJQNGSA-N	310.419	1.651	50	20	DDGD	
CSc1cccc(F)c1C(=O)NNC(=O)N1CCOCC1	281823831	ZTRFTPVXLYNOQJ-UHFFFAOYSA-N	313.354	1.234	50	20	DDGD	
CN(C)N(C(=O)c1cc2ccccc2[nH]1)[C@@H]1CCS(=O)(=O)C1	298152198	IOXXYOKWGKLEQJ-GFCCVEGCSA-N	321.402	1.274	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N2CC[C@H](n3cccn3)C2)s1	291927697	SRSFKENMOOBEMF-NSHDSACASA-N	319.390	1.554	50	20	DDGD	
CCc1c(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)[nH]c(C)c1C(C)=O	293968438	RSRLLQOIYUJYPZ-UFBFGSQYSA-N	321.377	1.417	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@H]2CCCCO2)cnn1C(C)(C)C	295287089	DCLSTNKGIZIZFR-GFCCVEGCSA-N	308.382	1.277	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NOC1CCN(C)CC1	808024366	IUNGSOYSRRVZGO-UHFFFAOYSA-N	314.817	1.494	50	20	DDGD	
Cn1ccnc1[C@H]1N(S(=O)(=O)CBr)CC1(C)C	295441048	YJHTWCOMABTJBU-MRVPVSSYSA-N	322.228	1.485	50	20	DDGD	
O=C(CCc1nc(-c2ccoc2)no1)NNc1ncccc1F	804219363	VVCHGGRXRXETEK-UHFFFAOYSA-N	317.280	1.940	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12	808248803	SICPEUZQITYJTG-WRWORJQWSA-N	311.234	1.703	50	20	DDGD	
Cc1cccnc1NNC(=O)c1ccc(F)c(S(C)(=O)=O)c1	803185730	CMOZPXFREBLPGQ-UHFFFAOYSA-N	323.349	1.690	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@@H]2c3ccccc3O[C@H]2C)O1	297865696	FWORGOHXAWZOMQ-NUZBWSBOSA-N	319.361	1.407	50	20	DDGD	
O=C(NC[C@H]1COc2ccccc21)NNc1ncncc1Cl	808367701	SQLINCGBYHGSFL-VIFPVBQESA-N	319.752	1.932	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1ccc(Cn2cncn2)cc1	804764270	SDFLYVATZCSADN-UHFFFAOYSA-N	312.308	1.617	50	20	DDGD	
Cc1cccc(CCCNC(=O)NNC(=O)[C@@H]2CCCCO2)n1	296728024	WYCGMBJHVNTBBQ-AWEZNQCLSA-N	320.393	1.222	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2nc3cccnc3s2)O1	293860152	IFKKYOATZPATGF-CBAPKCEASA-N	306.347	1.020	50	20	DDGD	
CCOCCCC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802095435	DILFBOHTLZFBCE-UHFFFAOYSA-N	309.322	1.385	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1snnc1C1CC1	290677711	DPJGPDYOCSWGEC-UHFFFAOYSA-N	318.358	1.499	50	20	DDGD	
CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1ccc[nH]1	299477872	JCBOCLJQZSCKSG-GFCCVEGCSA-N	320.393	1.203	50	20	DDGD	
C#CCOc1ccc(CNC(=O)NNC(=O)C(C)(C)C)cc1	296473370	AFBLFJAPLILLHN-UHFFFAOYSA-N	303.362	1.575	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)NNc2ccc([N+](=O)[O-])cc2C)C1	805375030	BEZWUAIGBUGZHS-HNNXBMFYSA-N	320.349	1.605	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CC[C@H]2CCOC2)cc1	802056423	NOLVGOIIWYNXJG-NSHDSACASA-N	307.350	1.665	50	20	DDGD	
C[S@@](=O)c1ccc(CC(=O)NNc2ncccc2F)cc1	804217587	BVRSKNCUODKPQV-OAQYLSRUSA-N	307.350	1.644	50	20	DDGD	
CC1(C(=O)NNc2c(F)cc(F)cc2Br)CNC1	817951320	DSPGJKNQGZEXNK-UHFFFAOYSA-N	320.137	1.780	50	20	DDGD	
O=C(NN=C[C@H]1CCCOC1)C1CCN(c2ncccn2)CC1	814837478	XCKHKTWTJHDKGW-CYBMUJFWSA-N	317.393	1.222	50	20	DDGD	
CCc1nc(C)c(C(=O)NNc2nc(-c3ccncc3)no2)o1	815235638	CZLKNYZGMHVOKD-UHFFFAOYSA-N	314.305	1.747	50	20	DDGD	
COc1ccc(NC(=O)NN=Cc2cnn3cccnc23)cc1	814998475	LHBZAPFELLPKEE-UHFFFAOYSA-N	310.317	1.894	50	20	DDGD	
Cn1nncc1NNC(=O)c1csc(-c2ccccc2)n1	816771129	ZJTJVBWJYYXDQK-UHFFFAOYSA-N	300.347	1.696	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)NNc1ccccn1	815969280	NHCURBJHOJPMKG-PJXYFTJBSA-N	318.377	1.638	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2cnn3c2OCCC3)c1	815857621	MGLCZHMBMYHASO-UHFFFAOYSA-N	306.297	1.570	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1cc2ncccn2n1	816829921	JSCKWZHIRFVHMV-UHFFFAOYSA-N	320.312	1.285	50	20	DDGD	
COc1ccc(Br)cc1C(=O)NN(C)[C@H](C)CO	823952789	UHQANGFZXPADDF-MRVPVSSYSA-N	317.183	1.415	50	20	DDGD	
CCN(CCO)NC(=O)c1cnc(OCc2ccccc2)cn1	823879899	WYRSXDGOOHGMFF-UHFFFAOYSA-N	316.361	1.015	50	20	DDGD	
O=C(NN=Cc1cnc(-c2ccccc2)s1)C(=O)NC1CC1	727254545	WRMWORCGLDIORL-UHFFFAOYSA-N	314.370	1.539	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(Br)ccc1OC	823859800	ACSPYCODUJCWKJ-UHFFFAOYSA-N	317.183	1.417	50	20	DDGD	
C[C@H](C1CCN(C)CC1)N(C)C(=O)/C(C#N)=C/c1cnn(C)c1	491107604	VYYJZCYDCDJWRL-BPKVKKHESA-N	315.421	1.516	50	20	DDGD	
CC(C)Cc1ncc(C(=O)NNC(=O)c2ncccn2)s1	822910901	GUARWIMSGPBMQJ-UHFFFAOYSA-N	305.363	1.206	50	20	DDGD	
C[C@H](COc1ccccc1)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	825848120	XGAJJTVZYDTQPW-YRGRVCCFSA-N	321.377	1.209	50	20	DDGD	
O=C(NNC(=S)NCCc1ccccn1)NC1CCCC1	726131535	HRCKMOCOCBLGRW-UHFFFAOYSA-N	307.423	1.245	50	20	DDGD	
CC(C)NC(=O)NNC(=O)Cc1ccc([Si](C)(C)C)cc1	822844705	ROABKOFJJULCRN-UHFFFAOYSA-N	307.470	1.513	50	20	DDGD	
N#Cc1cccc(CC(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1	826386790	STUHWPVBDFCPCT-UHFFFAOYSA-N	319.328	1.424	50	20	DDGD	
C[C@@]1(C(=O)NNc2cc(C(F)(F)F)ccn2)CCNC1=O	823218381	GHZBWVZWZWBJBV-LLVKDONJSA-N	302.256	1.070	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@H](O)CCc2ccccc2)cn1	491160971	MUPVIKCUMZBCBS-JDZKTDJGSA-N	324.384	1.437	50	20	DDGD	
COc1cccc(C[C@@H](C)CC(=O)NNC(=O)c2cn[nH]c2)c1	827020827	GQWUTMWWUIBYMI-LLVKDONJSA-N	316.361	1.448	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC(Cc2ccccc2)CC1	827294624	JBQNJKCYQXUYAP-UHFFFAOYSA-N	317.433	1.745	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCC(C)(C)[N+](=O)[O-])cc1	822202823	RHHPNRFLLRZLMN-UHFFFAOYSA-N	323.349	1.357	50	20	DDGD	
CCn1c(O)nc2cc(C(=O)NNC(=O)NCC3CC3)ccc21	823803612	DVDRXFZXOBFRJJ-UHFFFAOYSA-N	317.349	1.116	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)C1CCN(Cc2ccccc2)CC1	823965398	MDNMPZRPCQZAAA-AWEZNQCLSA-N	305.422	1.242	50	20	DDGD	
COCCCOc1ccccc1NCc1cccc(B(O)O)c1	585013440	VFZLBCYZFMWUOC-UHFFFAOYSA-N	315.178	1.394	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](C)C(=O)NCCc1ccccc1	491046061	GKORAZPGAJIVAZ-UESPBHMZSA-N	315.373	1.294	50	20	DDGD	
O=CN1CCC[C@@H]1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	822387498	LVYIMYXSUOTWGM-SNVBAGLBSA-N	312.713	1.312	50	20	DDGD	
Cc1ccn2cc(C(=O)NNC(=O)c3cccc(C#N)c3)nc2c1	728828377	OAYQPAUYUNOTMJ-UHFFFAOYSA-N	319.324	1.589	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CC(C)(C)[C@H]2c2cnn(C)c2)cn1	491009719	KSJVNXMCZOBAPB-KSKAUBAUSA-N	324.388	1.670	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NN(C)[C@H](C)CO)cc1	823977104	OHCJHQQQDIQXSK-ZMTLZGASSA-N	303.362	1.336	50	20	DDGD	
O=C1CSC[C@@H](C(=O)NNc2cccc(F)c2Cl)N1	827030862	KSEZNWDMTJZZRM-QMMMGPOBSA-N	303.746	1.154	50	20	DDGD	
O=C1C[C@@H](C(F)(F)F)[C@H](C(=O)NCC(Cl)Cl)CN1	822913183	GARIQBRCMZXYMO-RFZPGFLSSA-N	307.099	1.221	50	20	DDGD	
CC(C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)=C1CCC1	824948273	QFMXFHBHZVNIIS-UHFFFAOYSA-N	322.386	1.352	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCO[C@H](c2ccccc2F)C1	827654946	GZXRVBPNMJGREF-AWEZNQCLSA-N	323.368	1.002	50	20	DDGD	
C[C@@H](C#N)Oc1ccc(/C=C(/C#N)S(=O)(=O)N(C)C)cc1	588615634	AJHSGVAFTQPJHL-KSSSLANASA-N	305.359	1.733	50	20	DDGD	
C/C=C(/C=C/C(=O)NNC(=O)COc1ccc(C#N)cc1)CC	492166692	FWDSAUAIBUWKFF-XKVQTANESA-N	313.357	1.997	50	20	DDGD	
Cc1ccc(CC[C@H](C)NCc2ccc(B(O)O)cc2F)o1	585027785	ZTMPLAAEOHSQRA-NSHDSACASA-N	305.158	1.518	50	20	DDGD	
CC(C)(C)c1ccc2c(c1)CCN2C(=O)c1cccc(B(O)O)c1	584975426	DKFXIJHYYAHMNN-UHFFFAOYSA-N	323.201	1.867	50	20	DDGD	
CC(C)CO[C@@H]1CC(=NNC(=O)C(=O)N2CCCC2)C1(C)C	737435050	SCMBJULTAXRMAT-CYBMUJFWSA-N	309.410	1.552	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)COC1CCOCC1)c1ccccc1	735249027	NAOFUTYANOMOLA-HNNXBMFYSA-N	320.389	1.523	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)c2nnc(O)c3ccccc23)cn1	732711561	PLYYYVWYWYIBMF-UHFFFAOYSA-N	324.344	1.877	50	20	DDGD	
CNC(=O)c1ccc(C(=O)NNc2ncccc2Cl)cn1	734246308	NZSOVICVQJHKMJ-UHFFFAOYSA-N	305.725	1.247	50	20	DDGD	
C[C@@H](CNCc1ccc(B(O)O)cc1F)Oc1ccccc1	585027603	CBGWJZLCBRECKS-LBPRGKRZSA-N	303.142	1.063	50	20	DDGD	
CCO[C@@H](CCNCc1ccccc1B(O)O)C1CCCC1	585027169	XYVRCKWQASFTFZ-KRWDZBQOSA-N	305.227	1.441	50	20	DDGD	
Cc1ccc(C(=O)O)cc1NC(=O)NNC(=O)c1ccccn1	738535975	VIOMIDHRCFWPEZ-UHFFFAOYSA-N	314.301	1.555	50	20	DDGD	
O=C(C[C@@H]1C[C@H]2CC[C@H]1O2)NNC(=O)c1ccc(Cl)cc1O	839556367	XSNSDZRVOWBOTG-IYYTYJHQSA-N	324.764	1.764	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cnc2n1CCC2	831706256	CNZGCOCUSCDJIK-UHFFFAOYSA-N	300.318	1.373	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=Cc2ccncc2F)C[C@@H](C)O1	834933839	KMZCMRNVNXMPIG-RWMBFGLXSA-N	322.384	1.416	50	20	DDGD	
OB(O)c1cccc(-c2noc([C@@H]3CCC[C@@H]3C(F)F)n2)c1	585051852	FNZZTXBATBZJCM-WDEREUQCSA-N	308.093	1.565	50	20	DDGD	
CCC(C)(C)OCC(=O)NNC(=O)CNc1ccccc1OC	839483330	ZCNIBEPZNFBOQF-UHFFFAOYSA-N	323.393	1.460	50	20	DDGD	
CCC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1ccncc1	834932019	DBLAVGQDXZKXBN-ZDUSSCGKSA-N	304.394	1.280	50	20	DDGD	
O=S(=O)(CCl)NCCc1ccn(-c2ccc(F)cc2)n1	830713858	FXRWSBDHAPJAAO-UHFFFAOYSA-N	317.773	1.670	50	20	DDGD	
Cn1nnc2cc(C=NNC(=O)Cc3ccccc3F)ccc21	737431076	BIBYNACRQCYGGY-UHFFFAOYSA-N	311.320	1.800	50	20	DDGD	
N#Cc1ccc(N2CCC[C@H]2C(=O)NNC(=O)C2CCC2)cc1	732141000	MVZFUKMHGUJXDU-HNNXBMFYSA-N	312.373	1.475	50	20	DDGD	
O=C(NN=C1CCCOc2cc(F)cc(F)c21)C(=O)NC1CC1	834934259	UCJUQFSPDLUHEB-UHFFFAOYSA-N	323.299	1.236	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1cnc(C)[nH]1	732261008	DYMJRWFHYNEEAT-UHFFFAOYSA-N	308.725	1.455	50	20	DDGD	
O=C(CN(Cc1ccco1)c1ccccc1)NNC(=O)C1CC1	733199459	ZBAIPNMXUCLGTD-UHFFFAOYSA-N	313.357	1.844	50	20	DDGD	
CCCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)CC(F)(F)F	730280348	QXUFOWPNXPHZSB-SECBINFHSA-N	323.315	1.267	50	20	DDGD	
C[C@H](C[C@@H](O)c1cccs1)NCc1ccc(B(O)O)cc1F	585034757	NOXSLQSQSFLDEO-QMTHXVAHSA-N	323.198	1.169	50	20	DDGD	
CCCN(CC1CCCCC1)C(=O)c1ccc(B(O)O)cc1	584934253	QOAQOGBELRELMT-UHFFFAOYSA-N	303.211	1.799	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)Cc1ccc(F)cc1)C1CC1	836489669	SYKVXJLDBCLDQL-ZDUSSCGKSA-N	309.341	1.124	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)Cn2cc(C3CC3)cn2)c1	831542996	AWMTZWDBNIIBHO-UHFFFAOYSA-N	316.752	1.824	50	20	DDGD	
C=C(C)CNC(=S)NNC(=O)c1cc(-c2cccs2)[nH]n1	918692304	GMQOZXMMRULBPL-UHFFFAOYSA-N	321.431	1.823	50	20	DDGD	
OB(O)c1ccccc1CN[C@H]1CCOc2c(Cl)cccc21	585018804	SWQZJVDMMWEXCS-HNNXBMFYSA-N	317.581	1.633	50	20	DDGD	
Cc1nc2cc(F)ccc2cc1C(=O)N1CC[C@@H](B(O)O)C1	585070386	WIDYBIDVEWQPTL-LLVKDONJSA-N	302.114	1.371	50	20	DDGD	
CC[C@@](C)(CNC(=O)NNc1ccc(-n2ccnc2)nn1)OC	836580334	UHZBSHSWEPOJOM-AWEZNQCLSA-N	319.369	1.104	50	20	DDGD	
CCCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)C1CCCC1	918159334	XVVIQRURNSJYMB-CYBMUJFWSA-N	309.410	1.505	50	20	DDGD	
COc1cc(CCNC(=O)NNC(=O)CC(C)(C)C)ccc1O	734219800	XVEPXGMTTCGZAX-UHFFFAOYSA-N	323.393	1.710	50	20	DDGD	
CCc1nc2ccccc2c(C(=O)NNC(=O)C(C)(C)O)c1C	830696247	CLKDIHDVQUTNAU-UHFFFAOYSA-N	315.373	1.638	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC2CCN(C)CC2)c(F)c1	837350172	QJCPTGMZWZTDIW-UHFFFAOYSA-N	324.356	1.333	50	20	DDGD	
CO[C@@H]1COCC[C@H]1CNC(=O)NNc1c(C)cccc1F	838661705	ZNPLIXLJZBUJRJ-WCQYABFASA-N	311.357	1.812	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(-c2nc(C)no2)nc1	836735628	OJSVCESQTAPODF-QMMMGPOBSA-N	318.337	1.639	50	20	DDGD	
O=C(O)NNC(=S)NCc1ccc(OC(F)(F)F)cc1	832749018	YXPFKMDRHSDUJO-UHFFFAOYSA-N	309.269	1.732	50	20	DDGD	
Cc1nn(C(C)(C)C)c(C)c1C(=O)NNC(=O)c1cccn1C	916161215	QBTCLPVWJMUVJH-UHFFFAOYSA-N	317.393	1.668	50	20	DDGD	
CC[C@](C)(CNC(=O)NNC(=O)c1cccc(N(C)C)c1)OC	836577002	BHXQSMGEFPRABI-MRXNPFEDSA-N	322.409	1.512	50	20	DDGD	
CCN1C[C@H](NC(=O)NNc2ccc(Cl)c(F)c2)CC1=O	838674958	JFBSYTWVWKCGON-SECBINFHSA-N	314.748	1.726	50	20	DDGD	
COc1ccc(OC(F)F)c(CNS(=O)(=O)CCl)c1	830845839	SLINFJAUMHRSLN-UHFFFAOYSA-N	315.725	1.912	50	20	DDGD	
CN1CCC[C@@H]1C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	748555354	PHYGNBMAHWURGC-CQSZACIVSA-N	303.406	1.839	50	20	DDGD	
Cc1noc2ncc(C(=O)NNC(=S)N[C@H](C)C3CC3)cc12	741861338	HTFCLTOEJRHFLD-SSDOTTSWSA-N	319.390	1.439	50	20	DDGD	
C=C(C)CONC(=O)NNC(=O)CSc1ccc(C)cc1	845589472	FRXQXMGQTWQIPJ-UHFFFAOYSA-N	309.391	1.925	50	20	DDGD	
NC(=O)[C@H]1CC[C@H]1C(=O)NNc1ccc(Cl)cc1Cl	847600029	ZTTVHGPLOQBBLU-JGVFFNPUSA-N	302.161	1.948	50	20	DDGD	
COc1cccc(NNC(=O)Nc2cccc3c2CCNC3)n1	841303940	ATUVWJJHAFQNSO-UHFFFAOYSA-N	313.361	1.885	50	20	DDGD	
COc1ccc(C=NNC(=O)Cc2csc(C)n2)cc1O	916320459	VUPWILSMBMIEDA-UHFFFAOYSA-N	305.359	1.859	50	20	DDGD	
CCCCNC(=O)NNC(=S)N[C@@H]1CCOc2ccccc21	741487555	GLFVXROLXRZNLS-GFCCVEGCSA-N	322.434	1.989	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSc1ncnc2ccccc12	742450286	WZEUMWVSHYUMOZ-UHFFFAOYSA-N	318.402	1.915	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=C[C@@H](OC)[C@@H]1CCOC1	841606146	AILKUPFASDAXMP-GDBMZVCRSA-N	320.389	1.781	50	20	DDGD	
O=C(NNc1cccc(F)c1F)[C@H]1CCc2nnnn2CC1	845857619	PEACPJNHZSJHQM-QMMMGPOBSA-N	308.292	1.047	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl	910167833	NQRFCEYDFYMABP-MRVPVSSYSA-N	301.730	1.135	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=S)NCC2CC2)cc1	849257323	KTHBQAGYEAEFNM-UHFFFAOYSA-N	307.423	1.663	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccccc2OCC#N)n1	746633189	QDZUSCPYYLTBDT-UHFFFAOYSA-N	313.317	1.453	50	20	DDGD	
CCc1cc(Br)ccc1NNC(=O)N[C@H](C)CN	841969934	SFDXEKXXKUVUNK-MRVPVSSYSA-N	315.215	1.985	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCCCN1CCNCC1	843287357	BNEVWYMDPUJEMC-LLVKDONJSA-N	320.275	1.208	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)[C@@H]2CC23CCCC3)C[C@@H](C)O1	747513960	SITZNBGQJVVRAC-MJBXVCDLSA-N	323.437	1.213	50	20	DDGD	
CS[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccccc1	843650945	IWXWIHGWUWFFHQ-RTXFEEFZSA-N	308.403	1.663	50	20	DDGD	
CN1CCN(CC(=O)NNC(=O)C(C)(C)C)CC12CCCCC2	846937103	AVNZYZJOPFRQOS-UHFFFAOYSA-N	324.469	1.130	50	20	DDGD	
CC[C@H](O)[C@@H]1CCCCN1C(=O)/C(C#N)=C/c1cnn(C)c1	912118279	DOWFIMSCLPMZJX-DMUBJSPUSA-N	302.378	1.479	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)N[C@@H]1CCCSC1	748969084	YGRDPOYNIXCYTB-CYBMUJFWSA-N	307.419	1.845	50	20	DDGD	
COCC(=O)NN=C(C)c1cc(Br)c(F)cc1O	746578188	KZCVTEQIXVPNFW-UHFFFAOYSA-N	319.130	1.780	50	20	DDGD	
C[C@H](O)CN(CC(=O)NNC(=O)C(C)(C)C)Cc1ccccc1	744405060	KUCMEZYXWLCCSM-ZDUSSCGKSA-N	321.421	1.063	50	20	DDGD	
C[C@@H](OC1CCCCCC1)C(=O)NNC(=O)c1ncccn1	841350587	NQSLXZADFIWTMY-LLVKDONJSA-N	306.366	1.366	50	20	DDGD	
Cn1ccnc(NNC(=O)c2ccc3ncsc3c2)c1=O	747943381	UXJBELDMQFGLKP-UHFFFAOYSA-N	301.331	1.147	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCC2(C#N)CCC2)c1	842197391	WAJBIWBRUAIBJF-UHFFFAOYSA-N	316.361	1.398	50	20	DDGD	
CO[C@@H](C=NNC(=O)Cn1ccc2ccccc21)[C@@H]1CCOC1	841624765	WZTXFJTWJONTPB-ZBFHGGJFSA-N	315.373	1.795	50	20	DDGD	
Cc1cc([C@](C)(O)CNC(=O)NNC(=O)C2CCCC2)c(C)o1	753334558	IJIPSXLPPTYEAV-MRXNPFEDSA-N	323.393	1.625	50	20	DDGD	
CC(=O)NCCCCCC(=O)NNC(=O)OCC(F)(F)F	856025674	VGYMKXZFKHBOAZ-UHFFFAOYSA-N	313.276	1.003	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@H](C)C(F)(F)[C@H](C)C1	859414051	UTZFPYIRWLBCRS-TUAOUCFPSA-N	319.396	1.792	50	20	DDGD	
COCC(=O)NNC(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F	753287679	OKTQAQABAJZQTG-JTQLQIEISA-N	323.246	1.406	50	20	DDGD	
CC(C)[C@H](NC=O)C(=O)NNc1ccccc1C(F)(F)F	858278910	LHHWZTPIRVYBDM-NSHDSACASA-N	303.284	1.919	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1c(O)cccc1F	854283777	KETFPIPRFCAACH-UHFFFAOYSA-N	315.370	1.019	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)N[C@@H]1CC12CCCCC2	852237248	UNXURVGKZWBZTR-LLVKDONJSA-N	306.341	1.888	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H]2CCC[C@@H]2CO)C[C@@H]1Br	856958520	MMKSPVVNZSQUHG-MWGHHZFTSA-N	305.216	1.620	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@]1(C#N)CC12CCCC2)C1CC1	855095564	PKDXJERDOMDQHU-ZUZCIYMTSA-N	306.435	1.754	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]21	854162541	MJJVMHBFCZLEPV-AXFHLTTASA-N	311.382	1.237	50	20	DDGD	
Cc1nnc(CN(C)C(=O)c2c(C)nn(CCCl)c2C)o1	855570084	TVNQYVTVNHHBKR-UHFFFAOYSA-N	311.773	1.702	50	20	DDGD	
CN(C[C@H]1COCCO1)C(=O)/C(C#N)=C/c1ccc(F)cc1	855678336	HPEMUGZDPCBHGA-NRUITVPNSA-N	304.321	1.606	50	20	DDGD	
C[C@H](C(=O)NNC(=O)OCC(F)(F)F)N1CCCCCC1	856023348	GHEUOVHFAHQSMI-SECBINFHSA-N	311.304	1.571	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2c(C)noc2C2CC2)nc1	752678366	FXTLJNGDZDIVLI-UHFFFAOYSA-N	316.317	1.799	50	20	DDGD	
CSc1ccc(NC(=O)NNC(=O)c2cccnc2)nc1	758003843	SCLSABBFZFUDRT-UHFFFAOYSA-N	303.347	1.665	50	20	DDGD	
CCN(CCNC(=O)NNC(=O)c1cc(C)cs1)C(C)C	858194828	MMRTXXFSVWBVCZ-UHFFFAOYSA-N	312.439	1.731	50	20	DDGD	
CN1CC[C@@H]2CC[C@H](C1)N2C(=O)/C(C#N)=C/c1ccc(O)cc1	923272424	JUJUQJLENQMKBZ-KFOKOMITSA-N	311.385	1.994	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2cc(C3CC3)nn2C)nn1	927613045	SOBGDDMPFZZDPH-UHFFFAOYSA-N	301.354	1.222	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(N2CCC(C)CC2)cc1	755531520	DNGPCQOPYJLLOA-UHFFFAOYSA-N	320.393	1.722	50	20	DDGD	
CCCOC(=O)CCNC(=O)NC[C@]1(C)C[C@@H]1Br	856900232	VAGDXQRKQMGBKZ-CABZTGNLSA-N	321.215	1.802	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)COc2ccc(C)c(C)c2)O1	756900911	DESOUYPHZVLRDN-DZGCQCFKSA-N	320.389	1.787	50	20	DDGD	
CC(C)Nc1ccc(C(=O)NNc2ccnc(N(C)C)n2)cn1	752806876	OZWGYKMNSGZSGK-UHFFFAOYSA-N	315.381	1.515	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1nn(C)c2ccccc12	934438296	NYXARGJPIQDXGD-UWVGGRQHSA-N	317.349	1.151	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CCc1cc(C)on1	932429063	HERCPTKIESOZNP-UHFFFAOYSA-N	303.318	1.385	50	20	DDGD	
CC(=NNC(=O)NCc1ccco1)c1cc(C(=O)O)ccc1O	757461294	LHVPBIZMTAMAFA-UHFFFAOYSA-N	317.301	1.907	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cccc(-c2cnco2)c1	854684183	ZJLMBDQWCANYJP-ZDUSSCGKSA-N	315.329	1.672	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cc(Br)cc(C=O)c1	858143305	JQXSSBSJKVJUAZ-UHFFFAOYSA-N	313.151	1.679	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=Cc1cccc(F)c1O	755540128	FSDPLWSCGTUHOX-UHFFFAOYSA-N	313.288	1.932	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21	859854241	HAGDVUDYDSSGEM-VFGSGVCASA-N	316.357	1.061	50	20	DDGD	
CCn1nccc1NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	757903122	OFVCBPROLMWSLP-UHFFFAOYSA-N	318.293	1.278	50	20	DDGD	
C[C@@H](C(=O)N(C)CCC#N)N(C)NC(=O)OCc1ccccc1	859389600	KADVWTZVOOUDJO-ZDUSSCGKSA-N	318.377	1.520	50	20	DDGD	
COc1ccnc(NNC(=O)c2cccc3c2CCOC3)n1	930076982	NXURYZRWWOJVLE-UHFFFAOYSA-N	300.318	1.315	50	20	DDGD	
COc1cccc([C@H](O)CNC(=O)NNC(=O)C2CCCC2)c1	753340853	YAGPSCAUNWXTAT-CQSZACIVSA-N	321.377	1.249	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@H]1C(=O)NNCC(F)(F)C(F)(F)F	863097912	WKYXWHYOUCYLLC-HTRCEHHLSA-N	302.243	1.810	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(C)nnc2C)c([N+](=O)[O-])c1	767774982	SSEUEECVMIKVPG-UHFFFAOYSA-N	317.305	1.767	50	20	DDGD	
CCOc1cccc(C=NNC(=O)c2ccc3c(c2)OCO3)n1	763121331	DOVZSLVPZKXJFC-UHFFFAOYSA-N	313.313	1.973	50	20	DDGD	
O=C(NNC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1	769464196	IPDLMAHWAGISAB-UHFFFAOYSA-N	301.258	1.375	50	20	DDGD	
O=C(NNc1cccnn1)N[C@@H]1CC[C@@H]2SCCS[C@H]21	762635296	VOSGCSPIRFGLRX-YWVKMMECSA-N	311.436	1.482	50	20	DDGD	
OB(O)c1ccc(CNc2ccc(Cn3cccn3)cc2)cc1	864026390	HBRCOBJCZHAERY-UHFFFAOYSA-N	307.162	1.223	50	20	DDGD	
C[C@@H]1CCCC[C@H]1N1CCC(=NNC(=O)[C@H]2CCC(=O)N2)CC1	863148854	LODNBFBAVARPJI-BPLDGKMQSA-N	320.437	1.412	50	20	DDGD	
O=C(CCOC1CCOCC1)NNCC(F)(F)C(F)(F)F	863096679	RKWUOIPTJSYDQD-UHFFFAOYSA-N	320.258	1.391	50	20	DDGD	
Cc1ccc(NCc2ccc(B(O)O)cc2)cc1OCC(F)F	863888797	KTDSUWYIDCNOSZ-UHFFFAOYSA-N	321.132	1.931	50	20	DDGD	
COc1cccc(C(C)(C)C(=O)NNC(=O)c2cc(C)[nH]n2)c1	867069468	INKUAKXULABPNO-UHFFFAOYSA-N	316.361	1.466	50	20	DDGD	
Cc1cc(=NNC(=O)C2CCC(C(=O)N(C)C)CC2)cc[nH]1	862515047	GZKAHMAMKXNOEN-UHFFFAOYSA-N	304.394	1.150	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2nc(C(F)(F)F)cs2)co1	760368138	GLNFVGFLSTWAOQ-UHFFFAOYSA-N	320.252	1.611	50	20	DDGD	
CNC(=O)CCCN(C)C(=O)[C@@H](Br)C(C)(C)C	768316740	CQULMNQDUCHFNJ-SNVBAGLBSA-N	307.232	1.781	50	20	DDGD	
O=C(CC(F)(F)C(F)(F)F)NNC(=O)NCC(F)(F)F	868028398	YHEAOCRMHJTLCV-UHFFFAOYSA-N	317.136	1.467	50	20	DDGD	
CCC(CC)(C(=O)NNC(=O)c1cn[nH]c1)C(=O)OC(C)(C)C	862469433	KHBAPMGACSVOTO-UHFFFAOYSA-N	324.381	1.319	50	20	DDGD	
C[C@H](NNC(=O)c1cnc(C2CCCC2)nc1N)C(F)(F)F	862319423	DOGPUQXMXDQYAC-ZETCQYMHSA-N	317.315	1.902	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)OCC2(CO)COC2)cc1	763614906	HPWNQCRNMGQZCK-AWNIVKPZSA-N	303.314	1.154	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)c2ccc(C3=CCCC3)cc2)N1	862463108	YDCJDZIPMWXVHH-CQSZACIVSA-N	313.357	1.294	50	20	DDGD	
COC(=O)c1ccc(CCC(=O)NN[C@H](C)C(F)(F)F)cc1	862313471	ICCJHPOHMGENOU-SECBINFHSA-N	318.295	1.977	50	20	DDGD	
CN1CCC[C@H](CCNS(=O)(=O)CC(C)(C)CCl)C1	867386330	JJFHFDKZWCSKHX-GFCCVEGCSA-N	310.891	1.903	50	20	DDGD	
CCc1ccc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)o1	760236219	UEEBYRVDACYPKL-UHFFFAOYSA-N	310.317	1.582	50	20	DDGD	
Cn1nncc1C=NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	764809052	GKQXRCTWBWXPPJ-UHFFFAOYSA-N	313.296	1.108	50	20	DDGD	
COC(=O)N(C)NC(=O)NCC(C)(C)N1C[C@@H](C)C[C@H](C)C1	875140799	VIPOCESBHKKXOV-RYUDHWBXSA-N	314.430	1.655	50	20	DDGD	
CC(C)[C@@](C)(O)C(=O)NNC(=O)Cn1ccc2ccccc21	771322117	RTUFASCKZMVWDV-MRXNPFEDSA-N	303.362	1.196	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(C)cc(Cl)c1	772185487	XLZXETZDDYUQNQ-SECBINFHSA-N	312.753	1.751	50	20	DDGD	
CC[C@H](C(=O)NNc1nccnc1C(C)C)N1CCCC1=O	772843887	ITOMHSNMINPZBS-LLVKDONJSA-N	305.382	1.444	50	20	DDGD	
OB(O)c1ccccc1CNc1cccc(CN2CCCC2)c1	1119234960	JLKYKORFLNQVBJ-UHFFFAOYSA-N	310.206	1.574	50	20	DDGD	
COC(=O)N(C)N=Cc1ccc(OC)c(Cn2cccn2)c1	872372615	FMZGOBAKZBSFAN-UHFFFAOYSA-N	302.334	1.972	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)CC(C1CC1)C1CC1	1118048182	JNCYTRKOEHRMJJ-UHFFFAOYSA-N	323.418	1.603	50	20	DDGD	
COC(=O)c1cnc(C(=O)OC[C@@H](C)CBr)cn1	770414551	IKEKBEFNBFAXQS-ZETCQYMHSA-N	317.139	1.451	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(c2ccccc2)CCC1	771911188	JUOXNUPZOHCLEH-GFCCVEGCSA-N	318.373	1.597	50	20	DDGD	
COC[C@@](C)(O)C(=O)NNC(=S)Nc1cccc(Cl)c1	873784857	IPTIPRWABLPMEB-GFCCVEGCSA-N	317.798	1.055	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2cccc(C)n2)[C@]12CCCO2	875490615	WMDOYGAKUJOQIC-WOSRLPQWSA-N	320.393	1.743	50	20	DDGD	
O=C(NNc1ncccn1)Nc1ccc2c(c1)OC(F)(F)O2	775467277	CCXCLKDDARPHGV-UHFFFAOYSA-N	309.232	1.947	50	20	DDGD	
CSc1ccccc1CC(=O)NNC(=O)Cc1ccncc1	776980939	MTMKJMKVXOCULU-UHFFFAOYSA-N	315.398	1.736	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2ccncn2)cc1C	770767253	CXIFROHSMQURMH-UHFFFAOYSA-N	315.333	1.325	50	20	DDGD	
Cc1cccc(N2N=C(C(=O)NN(C)C3CC3)CCC2=O)c1	1118154407	VAILGMQJRXMYPT-UHFFFAOYSA-N	300.362	1.603	50	20	DDGD	
Cc1nscc1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	772261173	XZNSLQIUXSCYFO-SECBINFHSA-N	313.379	1.190	50	20	DDGD	
CSc1ccccc1CC(=O)NNC(=O)N1CCOCC1	776971020	RPMFNSJEFRKXFJ-UHFFFAOYSA-N	309.391	1.024	50	20	DDGD	
COCCOc1ccccc1NC(=O)NNc1ncccn1	775562492	NQKIABNLRDWOEZ-UHFFFAOYSA-N	303.322	1.650	50	20	DDGD	
Cc1nc(N2CCOCC2)sc1C(=O)NN=C1COC[C@H]1C	884395079	UDJBSTONLYWIGG-SECBINFHSA-N	324.406	1.040	50	20	DDGD	
CC(C)CN1CCC[C@@H]1C(=O)NNc1nncc(N)c1Cl	1120618620	PYWMUKPQVZURRC-SNVBAGLBSA-N	312.805	1.276	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@@H](O)C2CCCCC2)c1	783692818	BOYUUIGYVUKNRJ-ZDUSSCGKSA-N	308.769	1.991	50	20	DDGD	
CC(=O)N1CC[C@@](C)(C(=O)NNc2c(F)cc(F)cc2F)C1	885152075	UWZZDBWPAIHRJU-CQSZACIVSA-N	315.295	1.806	50	20	DDGD	
COc1cccc(NNC(=O)Nc2ccc(C(N)=O)cc2)n1	780014095	QTRFRMMQNHYANA-UHFFFAOYSA-N	301.306	1.338	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(C(F)(F)F)ccn1	880157324	DKMVRRFJDHLDLQ-SNVBAGLBSA-N	317.267	1.431	50	20	DDGD	
CCn1cc(NC(=O)NNc2cccc(C(=O)OC)c2)cn1	780017098	VRYMSBWJXSOVAA-UHFFFAOYSA-N	303.322	1.838	50	20	DDGD	
Cc1noc(CCC(=O)NNc2c(F)cc(F)cc2F)n1	885151213	ZLJLVHDNGFERTP-UHFFFAOYSA-N	300.240	1.871	50	20	DDGD	
O=C(CCc1nc(O)c2ccccc2n1)NN=c1cc[nH]cc1	780762025	VFCBDDVFECQWQQ-UHFFFAOYSA-N	309.329	1.228	50	20	DDGD	
CO[C@H](C)CCC(=O)NNc1ccccc1S(C)(=O)=O	782737194	RHKFPWMNBORQJK-SNVBAGLBSA-N	300.380	1.348	50	20	DDGD	
Cc1cc(=O)n2nc(COC(=O)/C(C#N)=C\C3CC3)sc2n1	786674595	AWQCTTLJUQSPKF-YHYXMXQVSA-N	316.342	1.363	50	20	DDGD	
COc1cccc([C@@H](O)C(=O)NNc2cccc(OC)n2)c1	781024096	RESIQZCXVVACMM-CQSZACIVSA-N	303.318	1.276	50	20	DDGD	
CSC1(C(=O)NNc2nc(-c3cccnc3)no2)CCC1	787339280	IOLHHCSKHGZKJB-UHFFFAOYSA-N	305.363	1.860	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1ccc(F)cc1[N+](=O)[O-]	783823513	FYBYQVPXKIHBBS-UHFFFAOYSA-N	303.253	1.678	50	20	DDGD	
C[C@H]1CC[C@@H](NC(=O)NNC(=O)COc2ccccc2F)C1	780783459	CUDWUAUIXXZHCS-WDEREUQCSA-N	309.341	1.724	50	20	DDGD	
CC[C@]1(C)Oc2ccc(NC(=O)NNC(=O)COC)cc2O1	785869414	SUWXYOBYNXAAEI-CQSZACIVSA-N	309.322	1.383	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1cccc(-c2ncco2)c1	784796556	PCGZWCIQORBZQW-UHFFFAOYSA-N	323.312	1.818	50	20	DDGD	
O=C(CN(CC1CC1)C1CCC1)NNC(=O)c1ccccc1	796580112	PJPDROKOHJWNLV-UHFFFAOYSA-N	301.390	1.712	50	20	DDGD	
CCc1cccc2c1OCCC2=NNC(=O)C(=O)NC(C)C	794885864	BIHDPEOLHIQPGK-UHFFFAOYSA-N	303.362	1.376	50	20	DDGD	
O=C(NCc1ncccc1F)NNc1nc2ccccn2n1	790434093	PENRVLQQFWMBMZ-UHFFFAOYSA-N	301.285	1.090	50	20	DDGD	
COc1c(C(=O)NNC(=O)c2ccncc2)cccc1[N+](=O)[O-]	792765032	XHMKUPVQQQULJI-UHFFFAOYSA-N	316.273	1.073	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1nnc(O)c2ccccc12)C(F)F	792016099	MPJXGGRLVRDMQK-UHFFFAOYSA-N	324.287	1.388	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1c(OC)ccc2c1CCC2	792457040	DOXNCOWDXLGWIX-UHFFFAOYSA-N	306.366	1.882	50	20	DDGD	
CC(C)C[C@H]1CCCC(=NNC(=O)[C@H](C)NS(C)(=O)=O)C1	794509014	XGLIUPVAJFGKBL-NWDGAFQWSA-N	317.455	1.633	50	20	DDGD	
CC[C@H](C)CC[C@@H](O)CC(=O)NNC(=O)c1cccc(C#N)c1	793417563	BQIAPAUIFUYYGU-SWLSCSKDSA-N	317.389	1.897	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@H](C)[C@H](C)N1CCOCC1	791027059	VPPRXTBONVXMFZ-OLZOCXBDSA-N	307.398	1.125	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CSCC(F)(F)F)n1	794082062	WNGULUBJGCUXEF-UHFFFAOYSA-N	307.297	1.447	50	20	DDGD	
O=C(NN=Cc1ccnn1-c1ccc(F)cc1)N1CCOCC1	794498768	DPIFQZQAJVORID-UHFFFAOYSA-N	317.324	1.387	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CSc2ccncc2)cc1	1317700050	DRAYACKSRUJTSW-UHFFFAOYSA-N	317.370	1.644	50	20	DDGD	
COc1ccc(NC(=O)CCl)cc1-n1nnnc1C1CC1	1319675300	ZFLVCTMNNFJTTO-UHFFFAOYSA-N	307.741	1.726	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2cccc(Cl)n2)n1	1324581128	UXQJJEOFCYQIAG-UHFFFAOYSA-N	305.725	1.247	50	20	DDGD	
NCC1(CC(=O)NNc2nncc(N)c2Cl)CCCCC1	1327120585	ILAXRQUESNJFMW-UHFFFAOYSA-N	312.805	1.455	50	20	DDGD	
C[C@H](Cn1cccn1)NC(=O)NNc1ccc(C(C)(C)C)nn1	1321938037	YETVGQRVYAGCBO-LLVKDONJSA-N	317.397	1.685	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2ccccc2Cl)n1	1322858363	ZPKFKJHQIXAQGE-UHFFFAOYSA-N	304.737	1.852	50	20	DDGD	
N#Cc1ccc2c(c1)N(C(=O)C(=O)NNc1ccccc1)CC2	1325240796	PKNIWPSOAZFLMX-UHFFFAOYSA-N	306.325	1.591	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCc2occc2C)cc1	1324115939	PCTFRKWZQLQLIH-UHFFFAOYSA-N	303.318	1.741	50	20	DDGD	
CCCc1cnc(NC(=O)C(=O)NNc2ncncc2F)s1	1324984766	QXOISQCCVAYRKC-UHFFFAOYSA-N	324.341	1.107	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H](C)c2ccc(F)c(F)c2)n[nH]1	1329959547	BBMCFWGXBFFKPF-SECBINFHSA-N	322.315	1.490	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1c[nH]nc1-c1cccnc1	1324299617	SVQQDIAURILWAA-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
O=C(C[C@H]1COC(=O)C1)NNc1cncc(Br)c1	1335934658	NTCQICSIWPSEPI-SSDOTTSWSA-N	314.139	1.240	50	20	DDGD	
CCc1cc(CNC(=O)NNC(=O)c2ccccc2Cl)n[nH]1	1252032005	KMJJLPPFNYROCP-UHFFFAOYSA-N	321.768	1.770	50	20	DDGD	
CN(CC(=O)NNC(=S)NC(C)(C)C)Cc1ccccc1	1332380543	UDICYYSBFNUHAZ-UHFFFAOYSA-N	308.451	1.412	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Cc2cccnc2C)c1	1346328642	IIKKPIZDLOGPOZ-UHFFFAOYSA-N	313.357	1.467	50	20	DDGD	
CC[C@H](C)n1nccc1C(=O)NNC(=S)N[C@H](C)C1CC1	1347808011	DFCRDLDFUCSVIC-VHSXEESVSA-N	309.439	1.762	50	20	DDGD	
C[C@H]1CC=C(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CC1	1344460873	RRKUXHURLXAOHI-JTQLQIEISA-N	302.378	1.796	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H]1CCCCN1Cc1cccc(F)c1	1345693594	YCQSGHUTWXYUHQ-AWEZNQCLSA-N	322.384	1.531	50	20	DDGD	
COCCN1CCN(C(=O)C2CCC(Cl)CC2)CC1=O	1346498241	UDKSLCKBZADCFW-UHFFFAOYSA-N	302.802	1.101	50	20	DDGD	
COc1cccc(NNC(=O)c2cnn3c2NC[C@@H](C)C3)n1	1521308568	OBZRPGQKCSKHQF-SECBINFHSA-N	302.338	1.105	50	20	DDGD	
O=C(/C=C/c1cncc(O)c1)NNc1ccc(C(=O)O)cc1F	1601245001	FJSJVMURKAZVAP-DAFODLJHSA-N	317.276	1.781	50	20	DDGD	
N#Cc1ccc(NNC(=O)N[C@@H]2CCC[C@H]2CC(=O)O)nc1	1601108033	YDXFFHHJTCLOMC-WDEREUQCSA-N	303.322	1.223	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)cc1C(=O)O	1600463090	WCCKAZIBCQVISE-GHMZBOCLSA-N	319.361	1.428	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C[C@@H](C)CC(=O)O)cc1	1607809262	OXYHQTACZDDTIF-LLVKDONJSA-N	307.350	1.055	50	20	DDGD	
Cc1ncc(Cl)c(C(=O)NNc2cccc(C(=O)O)c2)n1	1600738179	YCRXPWHBDDGRAA-UHFFFAOYSA-N	306.709	1.894	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNc2ccc(CC(=O)O)cc2)c1	1608245604	NZUILMKAJOSOPK-UHFFFAOYSA-N	313.313	1.170	50	20	DDGD	
Cn1cc(C#N)c(NC(=O)NNc2cccc(C(=O)O)c2F)n1	1600927563	RYICAMFZCNOTQR-UHFFFAOYSA-N	318.268	1.278	50	20	DDGD	
CCc1ccc(NC(=O)NNc2ccc(-c3nn[nH]n3)cc2)nc1	1604525054	SEAQHMUCYSSWHW-UHFFFAOYSA-N	324.348	1.973	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccsc2CC(=O)O)c(C)o1	1607579965	LVTNIYBLBBWFLB-UHFFFAOYSA-N	322.342	1.660	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)[C@H]1CC[C@@H](C(=O)O)C1	1605820784	DFUHNKPDVLKUSV-DTWKUNHWSA-N	316.317	1.279	50	20	DDGD	
CC(=O)NNC(=O)N[C@H](c1ccc(C(=O)O)cc1)C(F)(F)F	1603052135	GDLQTNWDLLLRJB-SECBINFHSA-N	319.239	1.339	50	20	DDGD	
O=C(NCC1=CCCOC1)NNc1ccc(F)c(C(=O)O)c1	1601478505	YQGISTFWBLPNIX-UHFFFAOYSA-N	309.297	1.497	50	20	DDGD	
Cn1ncc(CCC(=O)NNc2ccc(C(=O)O)c(Cl)c2)n1	1610613639	DUSZNKNVMPSOPD-UHFFFAOYSA-N	323.740	1.243	50	20	DDGD	
Cc1ccccc1C(=O)NN=C1CCN(CCC(=O)O)CC1	1610528290	PTZQRYGGSLGCFE-UHFFFAOYSA-N	303.362	1.651	50	20	DDGD	
CC[C@@H]1C[C@H](C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)CCO1	1549319363	HQIJLVBKPUDARM-KBUPBQIOSA-N	309.410	1.157	50	20	DDGD	
COCCC(Cc1cccc(F)c1)=NNC(=O)NCC(=O)O	1610254467	MDDYHXGJNWDROS-UHFFFAOYSA-N	311.313	1.145	50	20	DDGD	
CCc1oc(C=NNC(=O)[C@@H](C)OCCOC)cc1C(=O)O	1610079188	ITMZBKAWPSNOSA-SECBINFHSA-N	312.322	1.042	50	20	DDGD	
C[C@H](N)c1ccc(C(=O)NNC(=S)N[C@H](C)C2CC2)cc1	1576164794	NLSOKVSTRSGERP-VHSXEESVSA-N	306.435	1.614	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@@H](C)CCCN)cc1	1578821096	XDMFBWWZYXGNMJ-NSHDSACASA-N	308.382	1.156	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cn1)C1=C2CCN=C2NC=C1	1580737755	YHLKNBPYXHITNE-UHFFFAOYSA-N	323.278	1.759	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C2CCCC2)o1	1589773640	HHKUQOYNNWAZOE-UHFFFAOYSA-N	305.342	1.611	50	20	DDGD	
C[C@]1(CNc2ncncc2-c2nn[nH]n2)C[C@H]1Br	1590135016	GRXQDBJJJPFPNY-GMSGAONNSA-N	310.159	1.242	50	20	DDGD	
Cc1ccc2n[nH]cc2c1C(=O)NNc1ncccc1C(=O)O	1594381453	KQFDZNZXVVWHPT-UHFFFAOYSA-N	311.301	1.721	50	20	DDGD	
COCCOCCC(=O)NNc1ccc(C(=O)O)c(F)c1	1599251131	XBJHJTKMNYPNIR-UHFFFAOYSA-N	300.286	1.020	50	20	DDGD	
COc1cccnc1C(=O)NNc1ccc(F)c(C(=O)O)c1	1599732569	VQKFIKWMXWGQLC-UHFFFAOYSA-N	305.265	1.684	50	20	DDGD	
COCCN(CC(C)C)NC(=O)c1csc(C(=O)O)n1	1599234895	LARUHNRQHQMWAT-UHFFFAOYSA-N	301.368	1.091	50	20	DDGD	
COCCN(CC(C)C)NC(=O)c1ccccc1CCC(=O)O	1599235318	RWNVQZSBZCLPCH-UHFFFAOYSA-N	322.405	1.953	50	20	DDGD	
CC[C@H](C(=O)NNc1cccc(C(=O)O)c1F)N1CCCC1=O	1594737491	VUZRGSZITISOBU-LLVKDONJSA-N	323.324	1.368	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cc1	1593635312	LGUBJFLWPCCFJD-OLZOCXBDSA-N	319.361	1.446	50	20	DDGD	
CC1(C)CCC[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1590095965	NZJPADBHZCKDOK-SNVBAGLBSA-N	301.354	1.531	50	20	DDGD	
COc1cc(C(C)=NNC(=O)c2cccc(C(=O)O)c2)ccn1	1776095867	ZLOVWXLNYCGROZ-UHFFFAOYSA-N	313.313	1.942	50	20	DDGD	
CC(C)Cc1ccc(CCC(=O)NNC(=O)CN(C)C)cc1	162113662	XLBWKTJFFDQBAH-UHFFFAOYSA-N	305.422	1.527	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)c1cccnc1	158235836	NYSASJOEFUSTKN-VXGBXAGGSA-N	317.295	1.925	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CSc1ccncc1	153724867	FVJDGVGNNIRYQS-UHFFFAOYSA-N	315.398	1.872	50	20	DDGD	
CN(CC(=O)NNc1cccc(F)c1)c1ncnc2nc[nH]c12	154174939	GLAAWODXXJCZNF-UHFFFAOYSA-N	315.312	1.072	50	20	DDGD	
NS(=O)(=O)C1CCN(C(=O)c2cccc(CCl)c2)CC1	707511985	VLGYUGXTEPCCRL-UHFFFAOYSA-N	316.810	1.319	50	20	DDGD	
C[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)CCl	830446151	UUYSITKJKKIXJG-VIFPVBQESA-N	312.819	1.454	50	20	DDGD	
COc1ccc(C)cc1CCNC(=O)NNc1ccc(C)nn1	106329390	PPNIFUCLHNXLBJ-UHFFFAOYSA-N	315.377	1.971	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)CNC(=O)OCC(F)(F)F	119079444	JOOVKWNTVQBSSA-UHFFFAOYSA-N	323.246	1.866	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)c1ccc(-n2cccc2)cc1	29489709	YEHKUGNRMBBKQP-UHFFFAOYSA-N	306.325	1.947	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)c2cccc3ncccc23)cn1	106812942	UVUQBKUBZYSYSM-UHFFFAOYSA-N	307.313	1.408	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)c1n[nH]c2c1CCC2	102790316	BIOJYQBDUGETPY-UHFFFAOYSA-N	310.317	1.705	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NC[C@H](C)N1CCc2ccccc2C1	26526757	BXLPOQRZILXLDU-VMOJBDSFSA-N	313.401	1.993	50	20	DDGD	
Cc1cc(-n2cncn2)ccc1C(=O)NNC(=O)c1cccnc1	172925026	ATQRWYDAGFHQDA-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2cccc3c2CCCC3)no1	119972774	FSGJGMDUWPQKPY-UHFFFAOYSA-N	314.345	1.944	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2c(F)cccc2F)cc1	119874191	QVALYMSJWOYNKU-UHFFFAOYSA-N	316.267	1.918	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2cc(F)ccc2F)c(O)c1	175551200	IJXFJMZFPIUIHM-UHFFFAOYSA-N	320.295	1.983	50	20	DDGD	
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)c1ccccc1C	68374250	VVVOKHRDMZJESQ-NEPJUHHUSA-N	320.393	1.242	50	20	DDGD	
Cc1cccc(NNC(=O)c2c(C)nn(C)c2-n2cccn2)c1	188199610	AQFJSTCESIYRAK-UHFFFAOYSA-N	310.361	1.980	50	20	DDGD	
CCc1ccccc1N1C[C@@H](C(=O)NNC(=O)C2CC2)CC1=O	26967550	WOHSKEQWEJTOAH-ZDUSSCGKSA-N	315.373	1.159	50	20	DDGD	
Cc1cccc2[nH]cc(CC(=O)NNC(=O)N3CCOCC3)c12	171535323	GSXCVNQFBKCTFH-UHFFFAOYSA-N	316.361	1.092	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(Cl)cc1Cl)S(C)(=O)=O	178884983	ZKWQAYIMJDMBMR-ZCFIWIBFSA-N	311.190	1.870	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cccc(C#N)c2)cc1	69480758	VKSXCRUKOJEQTD-UHFFFAOYSA-N	309.325	1.707	50	20	DDGD	
COc1ccc(C)nc1NC(=O)NNC(=O)c1ccc(C)o1	127971982	KKZJJTQFLWTLID-UHFFFAOYSA-N	304.306	1.767	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N2CCOC3(CCC3)C2)s1	126327583	KEFUIYROHOASSV-UHFFFAOYSA-N	309.391	1.666	50	20	DDGD	
C[C@@](O)(CC(=O)NNC(=O)NCc1ccco1)c1ccccc1	182234377	GZKRPZUSNVGRTQ-MRXNPFEDSA-N	317.345	1.408	50	20	DDGD	
O=C(NNc1ccccn1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	181177229	HTUMMHOFZNUVCX-UHFFFAOYSA-N	303.234	1.655	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(-c2ccccc2)[nH]c1=O	71925193	LAONQYPDSBRIHI-UHFFFAOYSA-N	301.302	1.433	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)c2c[nH]c3ccccc23)CCCO1	126937745	WAPPVYVUXIBZPS-INIZCTEOSA-N	316.361	1.681	50	20	DDGD	
COc1cccc(NNC(=O)c2ccnc(OCC(F)F)c2)n1	180711248	SZSLVTKMHXVNOR-UHFFFAOYSA-N	324.287	1.886	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)Nc2nccs2)c1	73799420	RGDPCHOZKAHHBY-UHFFFAOYSA-N	305.363	1.676	50	20	DDGD	
COC1(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCCCC1	184786429	APMGTRJKEPXHSK-UHFFFAOYSA-N	321.333	1.705	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2ccc(Cl)o2)cc1	78406503	RWACSICQZHOEFW-UHFFFAOYSA-N	323.736	1.815	50	20	DDGD	
O=C(CCc1ccco1)NNC(=O)c1ccc2c(c1)OCO2	36638514	HSOHADYESNMNOC-UHFFFAOYSA-N	302.286	1.402	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1cc(C)oc1C	73314745	HCLYWSZIROKYHC-UHFFFAOYSA-N	317.345	1.778	50	20	DDGD	
COc1nccnc1NNC(=O)c1c(C)nn(CCCl)c1C	184369896	FCJLJQMGAQZSBH-UHFFFAOYSA-N	324.772	1.294	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cnn(C)c1)c1cccc(F)c1F	133911101	ODMUPLZQTLDBCO-QMMMGPOBSA-N	323.303	1.404	50	20	DDGD	
COc1cc(F)ccc1NC(=O)NNC(=O)Cc1cccnc1	183604582	QMEOINLHZXBOBQ-UHFFFAOYSA-N	318.308	1.625	50	20	DDGD	
NC1=NC(=O)[C@H](CC(=O)NNc2ccc(Cl)c(F)c2)S1	130764933	MKKDCEITWJPHGT-QMMMGPOBSA-N	316.745	1.269	50	20	DDGD	
CC(C)(CO)CCCNC(=O)NNc1nc2ccccn2n1	189253767	XOKAYAKPMWPRGH-UHFFFAOYSA-N	306.370	1.154	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCCc1ccc2c(c1)OCO2	43890016	MOCCWPLCAFEPHE-UHFFFAOYSA-N	323.349	1.697	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccn(-c2ccccc2)n1	191908896	YYZJPJDUILVFQE-UHFFFAOYSA-N	319.328	1.672	50	20	DDGD	
O=C(CCN1CCCC1=O)NNc1ccc(C(F)(F)F)cn1	132378533	SZLRJFCRHIGAKT-UHFFFAOYSA-N	316.283	1.556	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C[C@H]1CCCOC1	195324648	BRYIVGVXNJQWIB-GFCCVEGCSA-N	306.362	1.202	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(F)c(F)cc1Br	130518746	LWEWEZYITKAFQK-UHFFFAOYSA-N	322.109	1.691	50	20	DDGD	
O=C(CCCNC(=O)C1CC1)NNC(=O)c1cccc(Cl)c1	193074161	IOAHGAJVAMKRIZ-UHFFFAOYSA-N	323.780	1.407	50	20	DDGD	
COc1ccnc(NNC(=O)CCCOc2ccc(F)cc2)n1	46365028	PLKKKKSNBAFDIY-UHFFFAOYSA-N	320.324	1.927	50	20	DDGD	
O=C(NC[C@H]1Cc2ccccc21)NNC(=O)c1ccccc1O	194193606	UZEOYAGXPLJZFS-GFCCVEGCSA-N	311.341	1.676	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H](C)n2cccn2)c1	45042658	PRDVUNXTLPVYPQ-CYBMUJFWSA-N	316.361	1.287	50	20	DDGD	
C[C@H](NS(=O)(=O)CCCCCl)c1nnc2n1CCC2	228328626	JEPKMDRDURJVSD-VIFPVBQESA-N	306.819	1.224	50	20	DDGD	
C[C@H](CCc1cccc(F)c1)C(=O)NNC(=O)c1cnn(C)c1	80356174	QHURGRGLRHMXMY-LLVKDONJSA-N	318.352	1.589	50	20	DDGD	
COc1cccc(CCC(=O)NNc2nc3ccccn3n2)c1	191902372	QOFWJSFNFGOQIL-UHFFFAOYSA-N	311.345	1.814	50	20	DDGD	
CC[C@H](N)C(=O)NNc1c(F)cc(F)cc1Br	236924654	BAERNJYESXFEMZ-QMMMGPOBSA-N	308.126	1.908	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)NC1CC(C)C1	268088440	ZTFHUELQRYPPBN-UHFFFAOYSA-N	321.377	1.593	50	20	DDGD	
COCCC(=O)NNC(=O)c1ccc(COc2ccccc2)o1	263943855	XWRALJAXVIXRCF-UHFFFAOYSA-N	318.329	1.656	50	20	DDGD	
N#Cc1cc(F)c(C(=O)NNC(=O)NC2CCCC2)c(F)c1	267960944	LPFVPFDNYODMPX-UHFFFAOYSA-N	308.288	1.723	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)[C@H]2CCCS2)nc2ccccc21	266655892	ZHWNLVFVJSUURQ-GFCCVEGCSA-N	318.402	1.159	50	20	DDGD	
Cc1ccc2nc(CNC(=O)NNC(=O)CC(C)(C)C)cn2c1	264235231	WFFBUTVSZYHYDO-UHFFFAOYSA-N	317.393	1.909	50	20	DDGD	
Cn1ccnc(NNC(=O)C[C@@H]2CCc3ccccc3C2)c1=O	267240061	ROGIJXUDRYBIAZ-GFCCVEGCSA-N	312.373	1.419	50	20	DDGD	
Cc1ccc2c(c1)CC[C@H]2NC(=O)NNC(=O)c1cnn(C)c1	265425867	QSFMLZOCSFMPCO-CQSZACIVSA-N	313.361	1.360	50	20	DDGD	
CC(C)(C)c1ccc(CC(=O)NNC(=O)N2CCOCC2)cc1	268829214	VTDZCBUAMSLVCP-UHFFFAOYSA-N	319.405	1.600	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNC(=O)COCc1ccccc1	265663447	CCSZLQDPNVHOTN-HNNXBMFYSA-N	319.405	1.225	50	20	DDGD	
COCCC1(C(=O)NNC(=O)COc2ccccc2OC)CC1	269446177	SAQLHSPGDWBSQL-UHFFFAOYSA-N	322.361	1.038	50	20	DDGD	
Cn1cc(CNC(=O)NNC(=O)C(C)(C)c2ccccc2)cn1	264643842	CFBRDVHTNQPAGW-UHFFFAOYSA-N	315.377	1.228	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2cccc(F)n2)c2ccc(F)cc2N1	367750188	ZQOGOWQRDBFBDF-JTQLQIEISA-N	318.283	1.929	50	20	DDGD	
CN1C[C@H](C(=O)NNC(=O)c2ccccc2)c2ccccc2C1=O	368467451	ARBPHLCZSTXHRE-HNNXBMFYSA-N	323.352	1.317	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)C[C@@H]2CSCCS2)n1	273570999	XXMMWOCFINTAQT-ZCFIWIBFSA-N	319.843	1.394	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NC[C@H]1CCS(=O)(=O)C1	273122064	OZRKIUIXEYNQHP-GKWYLQRDSA-N	322.361	1.284	50	20	DDGD	
C=C(CBr)CN1C[C@@H](N2CCOCC2)C[C@@H]1C	368509234	YUBQOJCRBKORHH-STQMWFEESA-N	303.244	1.733	50	20	DDGD	
CCN1CCOC[C@@H]1C(=O)NNc1ccc(Cl)c(F)c1	367642272	FMDLSQZDVKPIKR-GFCCVEGCSA-N	301.749	1.643	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1ncc(C(C)C)s1	276999743	HZGARRRLRJWFOF-UHFFFAOYSA-N	312.395	1.399	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H]1CCO[C@@H](C)C1	272074946	LWKZLAYBUUNNHW-WDEREUQCSA-N	323.418	1.828	50	20	DDGD	
CCCC[C@@H](NC(N)=O)C(=O)NNc1cccc(C(=O)OC)c1	272921623	FHFUEEHQSRIXRX-GFCCVEGCSA-N	322.365	1.143	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CCO[C@@H](C)C2)c1	272693804	WOOPEEDRGVJETG-CMPLNLGQSA-N	307.350	1.667	50	20	DDGD	
COC1(CC(=O)NNC(=O)COc2cc(C)ccc2C)CCC1	276539005	DMGBCXJQGJFNIA-UHFFFAOYSA-N	320.389	1.789	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCCc1nc2ccccc2[nH]1	271441692	SBNJQSVYZVDHEA-UHFFFAOYSA-N	303.366	1.578	50	20	DDGD	
CC[C@H](C)CCC(=O)NNC(=O)[C@H]1COc2ccccc2O1	284955696	DMZXZEMUVZBUIR-SMDDNHRTSA-N	306.362	1.800	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCCN1CCOCC1	282984705	KNWXWNCJQGQNSG-UHFFFAOYSA-N	306.410	1.516	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(C)n(-c2nccs2)c1C	286352669	MPJJCRRSGGYETD-UHFFFAOYSA-N	308.363	1.894	50	20	DDGD	
COCCN(C)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1	288325701	DLZIQWCZNFNZGW-UHFFFAOYSA-N	310.354	1.396	50	20	DDGD	
O=S(=O)(CBr)N1CC[C@@H](Oc2ccccc2)C1	373316457	IGYVQACCSPSLNT-LLVKDONJSA-N	320.208	1.822	50	20	DDGD	
COCCN(C)NC(=O)Cc1ccc(Br)cc1C	288452194	PDNNZKMCCXUCSV-UHFFFAOYSA-N	315.211	1.909	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	284896520	GWEYRLODSLHYHN-SNVBAGLBSA-N	319.336	1.945	50	20	DDGD	
CC[C@H](C(=O)NNc1ccc(-c2ccccc2)nn1)C(=O)OC	283440101	YVHCUDNQXFGKRE-GFCCVEGCSA-N	314.345	1.786	50	20	DDGD	
COCCN(C)NC(=O)/C=C/c1ccc(C(=O)NC2CC2)cc1	288392916	JWYQNRBESSDLDM-BJMVGYQFSA-N	317.389	1.201	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@H]2CCCC(=O)N2)c(Cl)c1	283818912	YVODFSPMFLVXHC-LLVKDONJSA-N	324.768	1.470	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)[C@@H](F)CC2CCCCC2)nn1	281609003	YZHVFGLTHYKJCP-JTQLQIEISA-N	309.345	1.327	50	20	DDGD	
CCOc1ccc(C#N)cc1NC(=O)NNC(=O)[C@@H]1CCCO1	292582185	JUIRZZNWMIQYAT-ZDUSSCGKSA-N	318.333	1.289	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1	296470775	WOVJSIJJRTUVSO-ZQDZILKHSA-N	314.389	1.343	50	20	DDGD	
O=C(C[C@H]1CCCOC1)NNC(=O)Nc1ccc2c(c1)OCO2	802097199	PIXOJDNBDIZFHB-SNVBAGLBSA-N	321.333	1.385	50	20	DDGD	
Cc1c(F)cccc1S(=O)(=O)NNC(=O)[C@@H]1CCCCO1	296520692	CDSHLDJLHWIPHT-NSHDSACASA-N	316.354	1.013	50	20	DDGD	
CN(CCI)C[C@H](O)Cc1ccccc1	293441388	VCBKWYXTJJCFGV-GFCCVEGCSA-N	319.186	1.957	50	20	DDGD	
CCCc1ccc(N2C[C@H](C(=O)NNC(C)=O)CC2=O)cc1	298418518	YKEXHYRWNKMKJL-CYBMUJFWSA-N	303.362	1.159	50	20	DDGD	
CN1CCCC(C)(C)[C@H]1CNC(=O)NNc1cccc(F)n1	805394417	OAMHTEGVIWAZIP-LLVKDONJSA-N	309.389	1.967	50	20	DDGD	
CC(C)[C@H](O)C(=O)NNC(=O)Cc1cccc2ccccc12	291433712	HZHJFMVTYADUCZ-INIZCTEOSA-N	300.358	1.547	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N2C[C@H](C)N(C)[C@H](C)C2)s1	296385724	PMIQTFCGCASUCU-AOOOYVTPSA-N	310.423	1.435	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)c1cc2ccccc2o1)C1CC1	296534675	PYTWUDKXYXSXFU-CQSZACIVSA-N	317.345	1.802	50	20	DDGD	
CNc1nc(C)cc(C(=O)NNc2ccccc2C(=O)OC)n1	807195152	XUDOBOLTXGBDKN-UHFFFAOYSA-N	315.333	1.370	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802102511	SQHDVFSPARJMGM-JTQLQIEISA-N	321.333	1.549	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1)C1CC1	291003664	UCHLPJSQFHEGFE-QLJPJBMISA-N	324.352	1.556	50	20	DDGD	
CCOc1ccc(NNC(=O)NCc2cc(C)nn2C)cc1	297865670	FWBUCIUIXHTQME-UHFFFAOYSA-N	303.366	1.954	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)C[C@H](OC)c1ccccc1	295372032	SKVZBUCEQXCGIU-AAEUAGOBSA-N	314.407	1.371	50	20	DDGD	
O=C(CN1Cc2ccccc2C1=O)NNc1cccc(F)n1	804769825	SLUNZHXFEQZFOU-UHFFFAOYSA-N	300.293	1.320	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cccc(O)n2)cc1	801609379	VJJSLHLGXJIBSW-UHFFFAOYSA-N	315.329	1.190	50	20	DDGD	
Cc1cc(=O)cc(C)n1CCCC(=O)NNc1cccnn1	810422083	CARWDYIKMKAQPZ-UHFFFAOYSA-N	301.350	1.179	50	20	DDGD	
O=C(CCc1cncs1)NNC(=O)COc1ccccc1O	815509627	QHQWPXRSJSGPMV-UHFFFAOYSA-N	321.358	1.008	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=C[C@@H]2CCCOC2)n1	814709849	FZARYMJOWMNBDD-LBPRGKRZSA-N	308.407	1.714	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cc3ncccn3n2)cc1	816821307	VAJIJGNQSKJAMH-UHFFFAOYSA-N	309.329	1.367	50	20	DDGD	
O=C(CC1CC1)NN=Cc1ccc(N2CCOCC2)c(F)c1	814990075	ZXHMEGXSXDOZMU-UHFFFAOYSA-N	305.353	1.913	50	20	DDGD	
C=CCC(F)(F)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	815600492	VFFGLIGVQBTYJS-UHFFFAOYSA-N	320.299	1.845	50	20	DDGD	
O=C(NN=C1COCCOC1)c1cc(-c2ccc(F)cc2)[nH]n1	814877430	OBYBCNYQADRTPQ-UHFFFAOYSA-N	318.308	1.348	50	20	DDGD	
O=C(Cc1csc(Cc2ccccc2)n1)NNc1nc[nH]n1	816633341	YLWOMXGSUFEHKP-UHFFFAOYSA-N	314.374	1.538	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](C)CN(C)C(C)C	811851593	KHIMIBAOSXITMM-ZDUSSCGKSA-N	306.410	1.668	50	20	DDGD	
CCOc1ccc(NNC(=O)C(=O)Nc2cccnc2C)cc1	815817362	OPBCXJNYGGBTHL-UHFFFAOYSA-N	314.345	1.871	50	20	DDGD	
Cn1c(=O)c(CNC(=O)NNc2ncccn2)cc2ccccc21	813835315	OLVXSLSVHPVQLB-UHFFFAOYSA-N	324.344	1.155	50	20	DDGD	
COc1ccccc1CC(=O)NN=C(C)c1cc(CO)on1	812227209	VDKLNTWQTOWWCS-UHFFFAOYSA-N	303.318	1.258	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2cc(Br)c[nH]2)CC1(F)F	817512191	GHLGKYFXFIJOAF-SECBINFHSA-N	322.109	1.584	50	20	DDGD	
CCN([C@@H](C)CO)S(=O)(=O)c1ccc(CCCl)cc1	815085229	OWXRBJDHWPVJHO-NSHDSACASA-N	305.827	1.859	50	20	DDGD	
Cc1nn(C)c(-n2cccn2)c1C(=O)N(C)CC(Cl)Cl	816628619	CTYWCGQOBHZOFA-UHFFFAOYSA-N	316.192	1.790	50	20	DDGD	
C#CCOCCC(=O)NNc1ccc(C(=O)OCC)c(C)c1	812723055	BMKCXWRICNCAEF-UHFFFAOYSA-N	304.346	1.655	50	20	DDGD	
CCn1nc(C)c(CNC(=O)NNc2cncc(Cl)n2)c1C	727604929	LQMOZUSLDCZBOU-UHFFFAOYSA-N	323.788	1.790	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1CCC[C@H](OC)C1	814407348	YTRHMAPKDKESRG-KGLIPLIRSA-N	320.389	1.590	50	20	DDGD	
CN(C)C1CCC(NC(=O)NNc2ccc(Cl)nn2)CC1	817178709	HPKMYCOFLWXZLO-UHFFFAOYSA-N	312.805	1.629	50	20	DDGD	
C[C@H]1CCCC1=NNC(=O)Cc1csc(N2CCOCC2)n1	729144240	WVSPWNJYEYUCHM-NSHDSACASA-N	322.434	1.814	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H]1CCCCN1C(=O)c1ccccc1	729299472	HPZSVBZAKRZFLG-CQSZACIVSA-N	317.389	1.485	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O	820711109	YSGRYLBUVPFRHX-OLZOCXBDSA-N	309.410	1.361	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NN(C)[C@H](C)CO)cc1OC	823947071	SHBVPCNBZDCMGM-LLVKDONJSA-N	310.394	1.325	50	20	DDGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN(C)[C@@H](C)CO	823928281	MBKCTPATHLHZKY-STQMWFEESA-N	302.374	1.951	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCC1	496442586	VVSRWMDHAHDCNX-SNVBAGLBSA-N	315.370	1.457	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@@H](C)c1c(F)cccc1Cl	828704225	PSSOWBHATWYUAX-VIFPVBQESA-N	315.776	1.933	50	20	DDGD	
Cc1cccnc1NNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	491087390	XDRLTJPBIRXURY-VGOFMYFVSA-N	320.356	1.959	50	20	DDGD	
O=C(NN=Cc1cc(-c2nn[nH]n2)cs1)c1ccc(O)cc1	823273389	LLYDWCGHSZYYDZ-UHFFFAOYSA-N	314.330	1.398	50	20	DDGD	
O=C(c1c[nH]nc1-c1c(F)cccc1F)N1CC[C@@H](B(O)O)C1	585065848	KSCXJVLEGPVWTA-MRVPVSSYSA-N	321.092	1.044	50	20	DDGD	
CC1(C)OCc2cc(C=NNC(=O)c3ncon3)ccc2O1	901289132	BSHHHBMOFLHCOA-UHFFFAOYSA-N	302.290	1.479	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H](C(C)C)N1Cc2ccccc2C1=O	823804325	MWVGJIJPQAJRBI-ZDUSSCGKSA-N	318.377	1.017	50	20	DDGD	
CCC[C@H](O)[C@H](CO)NC(=O)/C(C#N)=C/c1ccc(F)cc1	491162683	TUNGLZYCZYIONS-BWSMEOODSA-N	306.337	1.371	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)C[C@@H]1CC[C@H]2C[C@@H]12	822234226	JLMZMZAWQYNWMM-RWMBFGLXSA-N	312.373	1.840	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(F)c(COCCOC)c1	491847356	LRWOEIQEQCHICT-UHFFFAOYSA-N	314.313	1.380	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)nc1	495508623	IEEYTQQJABHNEN-LLVKDONJSA-N	322.365	1.543	50	20	DDGD	
C[C@@H](CNCc1ccc(B(O)O)cc1)Oc1ccccc1F	585026660	JGBZMJPNNYWXEE-LBPRGKRZSA-N	303.142	1.063	50	20	DDGD	
CC(C)CN1CCN(C(=O)/C(C#N)=C\c2cnn(C)c2)CC1	491100976	CENWCRZHFIUUCD-NVNXTCNLSA-N	301.394	1.127	50	20	DDGD	
C[C@@H]1CCC[C@H]1NC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836283896	BZKBDBBCRWSGMV-MWLCHTKSSA-N	320.349	1.940	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=S)N[C@H]1CCCC[C@H]1C	734025712	CISFGGGNOYSMQK-UTUOFQBUSA-N	317.455	1.112	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cc(C(=O)O)c(F)cc1F	833467341	OKRHZMJCCJIUAG-UHFFFAOYSA-N	301.249	1.472	50	20	DDGD	
Cc1noc([C@H](C)N(C)C(=O)/C(C#N)=C\c2cnn(C)c2)n1	491050077	ONZKALQPWBWABJ-IWKZGAEBSA-N	300.322	1.238	50	20	DDGD	
CN(Cc1ccc2c(c1)OCCO2)C(=O)NNC(=O)C(C)(C)C	731499615	XYDSHPDMRIIEDQ-UHFFFAOYSA-N	321.377	1.677	50	20	DDGD	
COCC(C)(C)CCCNC(=O)NNC(=O)[C@@H]1CCCCO1	836457204	KWURGWOTEBNIMW-LBPRGKRZSA-N	315.414	1.339	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@@H](C)c1ccn(C)n1	838774838	YFOVSYMLWACYAE-NSHDSACASA-N	316.365	1.825	50	20	DDGD	
COc1ccc(C#N)cc1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	831388382	CTOIODJCPBGBLX-MWLCHTKSSA-N	318.333	1.145	50	20	DDGD	
CC(=O)N[C@H](CC(=O)NNc1cccnn1)c1cccs1	736697385	HTAQIGRDZMIFMA-SNVBAGLBSA-N	305.363	1.249	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C#CC(C)(C)C	837310081	ICLOAUPHPFYXTK-LLVKDONJSA-N	306.337	1.790	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCc1ccc(C(=O)O)cc1	736249977	DQOIQBCTDWIXNO-UHFFFAOYSA-N	321.377	1.694	50	20	DDGD	
CCOc1ccc(C(=O)NN=Cc2cn(CC)nn2)cc1OC	901154161	KOCVJRSHHDVGMW-UHFFFAOYSA-N	317.349	1.469	50	20	DDGD	
COC(=O)CCc1ccccc1C(=O)NNC(=O)CC1CC1	908447714	FSZSHUQZSQBTSH-UHFFFAOYSA-N	304.346	1.353	50	20	DDGD	
COc1ccc(CN2CC[C@H](B(O)O)C2)c(Br)c1	585075778	IQGPFGKSETWKOM-JTQLQIEISA-N	313.988	1.506	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(Br)n1)c1cnn(C)c1	837211718	JDQLXLFDJQIQFD-QMMMGPOBSA-N	324.182	1.824	50	20	DDGD	
OB(O)[C@H]1CCN(Cc2ccc(OCc3ccncc3)cc2)C1	585076529	NBPHQFKJMVEBQE-INIZCTEOSA-N	312.178	1.709	50	20	DDGD	
O=C(NN=C1CC[C@@H]2CCCC[C@@H]2C1)[C@H]1CCS(=O)(=O)C1	730576149	BTDRHTNVWUZJNW-XQQFMLRXSA-N	312.435	1.884	50	20	DDGD	
Cc1nccn1CCCCOC(=O)/C(C#N)=C/c1cnn(C)c1	837972525	VMKKJWMETWLDQJ-OQLLNIDSSA-N	313.361	1.856	50	20	DDGD	
CC1(C)CN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1ccccc1	584935009	WKTSELKDCOSYLP-MRXNPFEDSA-N	309.174	1.590	50	20	DDGD	
CCC(=NNC(=O)COC)[C@H]1CCCN1C(=O)OC(C)(C)C	834961906	RPARYKAGJFTWGI-GFCCVEGCSA-N	313.398	1.915	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)Nc1cccc(F)c1	730818086	CMLOQJUGSDSXAW-UHFFFAOYSA-N	319.292	1.763	50	20	DDGD	
CCC[C@H](C)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	736419788	OLYZFPOSTLWZDE-QMMMGPOBSA-N	307.358	1.857	50	20	DDGD	
CNC(=O)C[C@@H](C)NC(=O)NNc1cc(C(F)(F)F)ccn1	836634298	ZSMYDLUPANDBKC-SSDOTTSWSA-N	319.287	1.251	50	20	DDGD	
NCCCCCCNC(=O)NNC(=O)Cc1ccccc1F	831263926	RNGCFQALUXTIRO-UHFFFAOYSA-N	310.373	1.218	50	20	DDGD	
O=C(C[C@@H](n1cccn1)C(F)(F)F)NNc1cnccn1	832395463	KQAABPLAPNUHPR-MRVPVSSYSA-N	300.244	1.310	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCc1nnc(-c2ccccc2)o1	910177710	OPWJEURWISIXOG-NSHDSACASA-N	304.350	1.013	50	20	DDGD	
O=C(NNC(=S)NC[C@H]1CCOC1)c1cc2ccccc2o1	749722884	VQUTTWIXTRTXSE-SNVBAGLBSA-N	319.386	1.578	50	20	DDGD	
O=C(NN=Cc1cn2cc(Cl)ccc2n1)N1CCOCC1	745591920	KVYQKVGEMLCFHK-UHFFFAOYSA-N	307.741	1.363	50	20	DDGD	
CCN(CC)CC(=O)NNc1cccc(Br)n1	837210629	UVBYYFMCQAOSPO-UHFFFAOYSA-N	301.188	1.629	50	20	DDGD	
N#CSCCCNS(=O)(=O)Cc1ccc(F)cc1F	916985927	XPSRHPWZHFNXFE-UHFFFAOYSA-N	306.359	1.989	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(F)c(F)c1F)N1C(=O)CCC1=O	748221225	WRUYKKGTUGOZAB-ZCFIWIBFSA-N	315.251	1.085	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2c([N+](=O)[O-])c(C)nn2C)c1	748909216	WWKZLTCZNDYWAF-UHFFFAOYSA-N	323.284	1.541	50	20	DDGD	
CC(=NNC(=O)c1cccc(S(C)(=O)=O)c1)c1cccnc1	915052417	VYTJJGMLNOXKRP-UHFFFAOYSA-N	317.370	1.639	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccn(-c2ccccc2)n1	918366470	PSUJCCOFWYSUDQ-UHFFFAOYSA-N	312.251	1.586	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1csc(C2CCCCC2)n1	840434721	SMDFGMORHAABPB-UHFFFAOYSA-N	311.407	1.723	50	20	DDGD	
Cn1cccc1CNC(=O)NN=c1sc2ccccc2n1C	743710365	NFGMVVZJLLZPNP-UHFFFAOYSA-N	315.402	1.893	50	20	DDGD	
CC(C)CO[C@H](C)C(=O)NNC(=O)COc1ccc(F)cc1	915263169	SYVITKYBOHXLGJ-LLVKDONJSA-N	312.341	1.413	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCCc1ccc(F)cc1	846785009	AICGVOSGVYWEDI-UHFFFAOYSA-N	303.337	1.948	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)COc2ccccc2F)s1	748696514	IPDFXZQGDHWPAE-UHFFFAOYSA-N	309.322	1.431	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C/c1cccc(OCCC(=O)O)c1	746684195	XAULAOSDXBBTSR-WUXMJOGZSA-N	308.297	1.707	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)[C@@H]1CCCNCC1	848436051	DTOOBDBZMQVHCM-MRVPVSSYSA-N	314.187	1.072	50	20	DDGD	
COc1cccc(NCC(=O)NN=Cc2ccc(C(=O)O)[nH]2)c1	749810254	ODRULIXNSCQZIJ-UHFFFAOYSA-N	316.317	1.284	50	20	DDGD	
CN1CCC[C@H]1C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	748555353	PHYGNBMAHWURGC-AWEZNQCLSA-N	303.406	1.839	50	20	DDGD	
C[C@H](Cn1cccn1)NC(=O)NNC(=O)c1cccc(Cl)c1	916464854	UTIVVAIEFFHSSF-SNVBAGLBSA-N	321.768	1.569	50	20	DDGD	
Cc1ccc(Br)nc1C(=O)NN(C)C[C@H](C)O	910154221	XMHROYUBVNTXBZ-QMMMGPOBSA-N	302.172	1.110	50	20	DDGD	
CCC(=NNC(=O)CN1CCCC1=O)c1cccc([N+](=O)[O-])c1	915953538	ZQQNECZPZCFFED-UHFFFAOYSA-N	318.333	1.448	50	20	DDGD	
Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NNC(=O)C1CCCC1	843766258	WRLYKBGLKIYXJT-UHFFFAOYSA-N	309.297	1.994	50	20	DDGD	
CCN[C@H](C)CNC(=O)NNC(=O)c1cccc2ccccc12	841987116	XYWOTBQRMWZVDF-GFCCVEGCSA-N	314.389	1.782	50	20	DDGD	
Cc1nc2ccccc2cc1C(=O)NNc1nccn(C)c1=O	747945457	HSNSOCCXRVSTRU-UHFFFAOYSA-N	309.329	1.394	50	20	DDGD	
C[C@H](CC(=O)NNc1cccc(S(C)(=O)=O)c1)n1ccnc1	845918787	QMHNCJNHWIPMFZ-LLVKDONJSA-N	322.390	1.381	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(C(N)=O)o2)c([N+](=O)[O-])c1	747420814	YMUGFALMWRLWDE-UHFFFAOYSA-N	320.261	1.052	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1	740482644	BMWVMTHUQRGQHY-UHFFFAOYSA-N	322.365	1.904	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@H]2CCCN2C2CC2)cc1	846375292	ABVQWIRCQMCYOG-OAHLLOKOSA-N	317.389	1.472	50	20	DDGD	
C[C@@H](CN)CNC(=O)NNc1ccccc1OC(F)(F)F	841961461	BVPREFBRSBFELZ-QMMMGPOBSA-N	306.288	1.806	50	20	DDGD	
Cc1nc([C@H](C)OC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)n[nH]1	840195805	DPJZJAIZHIDGNL-JHXMEDKLSA-N	324.344	1.843	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1(c2ccc(Cl)cc2)CC1	843648998	RXMBBRFBZGQJJU-GXFFZTMASA-N	322.792	1.944	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@H]2CCO[C@H]2C)c(C)c1OC	842562785	YYYCHYKYDAOTRF-AAEUAGOBSA-N	306.362	1.887	50	20	DDGD	
COCC1CCC(NC(=O)NNC(=O)c2ccc(C)o2)CC1	840445062	JVYZARMRQVCTRI-UHFFFAOYSA-N	309.366	1.737	50	20	DDGD	
C[C@H](c1ccccc1)[C@@H](CO)NC(=O)/C(C#N)=C\c1cnn(C)c1	841415440	HDIHSNFUBVAOHT-DKTUPHFTSA-N	324.384	1.608	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)c(C)c1)c1ccn(C)n1	841615406	XQTLJMWLOFGJRH-UHFFFAOYSA-N	313.361	1.516	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)on1	920858611	OTYWVHMIXDTFDI-UHFFFAOYSA-N	308.725	1.959	50	20	DDGD	
Cc1nnccc1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	752993054	KSBIYXFCVUREDR-SNVBAGLBSA-N	318.308	1.153	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CSC(c2ccccc2O)=N1	854214863	SWIBMDGWQJCRGD-JTQLQIEISA-N	307.375	1.058	50	20	DDGD	
Cc1nc2cccc(C(=O)NNC(=O)C3CCOCC3)c2[nH]1	923056940	FNVHZQAIZLVBNB-UHFFFAOYSA-N	302.334	1.059	50	20	DDGD	
C[C@]1(CNC(=O)NCCCn2ccnc2)C[C@@H]1Br	856717914	HHSQVDNVJPXLSD-CMPLNLGQSA-N	315.215	1.746	50	20	DDGD	
CCOC(=O)CC1(N/C=C(/C#N)C(=O)OCC)CCOCC1	853000252	HOAVRJZMKMBNNU-QXMHVHEDSA-N	310.350	1.049	50	20	DDGD	
CO[C@H](CNC(=O)/C(C#N)=C\c1cnn(C)c1)C1CCCC1	856154667	NMNOLBXWPFVHJC-XIEDVDOYSA-N	302.378	1.648	50	20	DDGD	
O=C(NC[C@@H]1CCCCO1)NNC(=O)c1c[nH]c2ccccc12	920344079	IWDUTVIOFNHLST-NSHDSACASA-N	316.361	1.681	50	20	DDGD	
O=C(NN=C[C@@H]1C[C@@H]1c1ccccc1)[C@H]1CCS(=O)(=O)C1	755620200	DYIIXGTUPUFVIQ-MELADBBJSA-N	306.387	1.327	50	20	DDGD	
CC(C)C[C@H](O)CNC(=O)NC[C@]1(C)C[C@@H]1Br	856956923	WXOXREVTXLXMHH-NHCYSSNCSA-N	307.232	1.866	50	20	DDGD	
COC[C@@H](NC(=O)NNc1cc(F)ccc1C)[C@@H]1CCCO1	854028807	WKBUNTSPERLBHI-KGLIPLIRSA-N	311.357	1.954	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)CSc1nnnn1C1CC1	855365982	YKXAVBMFXWBZGX-UHFFFAOYSA-N	322.369	1.691	50	20	DDGD	
C[C@H]1CN(C2CC2)CC1=NNC(=O)c1cc([N+](=O)[O-])ccc1O	755892007	PEQQVMHTPPEJHM-VIFPVBQESA-N	318.333	1.500	50	20	DDGD	
Cc1nccn1C[C@@H](C)CNC(=O)NNc1ncc(Cl)cn1	856852936	HMEHLIAHNMGIAD-VIFPVBQESA-N	323.788	1.597	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccnc(C2CC2)n1)C1CC1	855101726	YABRCGZPIRZPGH-MRVPVSSYSA-N	305.407	1.261	50	20	DDGD	
COC(=O)CN1CCC(NC[C@]2(C)C[C@@H]2Br)CC1	857065593	RGPCEFHWRLZFPN-AAEUAGOBSA-N	319.243	1.387	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)NCCc1cccs1)C1CC1	858782386	UKVCPFXGRDQDNL-GFCCVEGCSA-N	311.407	1.436	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)NCCC1CC1	852151093	DGXXYJVDMOSOFK-UHFFFAOYSA-N	312.414	1.059	50	20	DDGD	
CCN(CC)CCC(=O)NN=C(C)c1ccccc1C(=O)O	757459585	JKAWUFHFYVBEOU-UHFFFAOYSA-N	305.378	1.957	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@H]1C[C@]1(C)C(C)C	854284121	XPBQLMXMJWMICK-BXUZGUMPSA-N	301.456	1.543	50	20	DDGD	
CC1(C)CC(=NNC(=O)C(=O)Nc2ccccn2)C(C)(C)O1	758382013	VKKGEYGVWXQONP-UHFFFAOYSA-N	304.350	1.470	50	20	DDGD	
O=C(O)[C@H](C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])C1CC1	852945388	DBVRZPIPPJYCHH-JTQLQIEISA-N	313.697	1.802	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc(C(C)C)[nH]n1	854279908	GNLAIICHKYUGIG-UHFFFAOYSA-N	313.427	1.021	50	20	DDGD	
CCn1ncc(Cl)c1C(=O)NNC(=O)NCc1ccco1	857707921	FBBVQSMZDNPRET-UHFFFAOYSA-N	311.729	1.294	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H]2CCCN2C)c1C	853486024	POSYWFYXPZIXES-GFCCVEGCSA-N	320.393	1.502	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cc2cccnc2[nH]1)C1CC1	855095664	OFKNRXWSJIUVSY-MRVPVSSYSA-N	303.391	1.470	50	20	DDGD	
C[C@]1(CN2C(=O)[C@H]3CCCCN3C2=O)C[C@H]1Br	857226898	BMULFTHUASKPBP-KBVBSXBZSA-N	301.184	1.977	50	20	DDGD	
O=C(NCc1ccc2c(c1)C(=O)NCC2)NNc1ccccc1	758685959	VDVBSSXAUUZRLY-UHFFFAOYSA-N	310.357	1.799	50	20	DDGD	
C[C@@H](c1ccco1)N(CC(=O)NNC(=O)C(C)(C)C)C1CC1	754870461	HHAAHOSCMVFVAK-NSHDSACASA-N	307.394	1.999	50	20	DDGD	
O=C(NCc1ncccn1)NNC(=O)c1cc2c(s1)CCC2	852622411	RJSLXQDTZGGTFR-UHFFFAOYSA-N	317.374	1.171	50	20	DDGD	
C[C@]1(CNC(=O)CN2CCCCC2=O)C[C@H]1Br	857399224	QTMUSGCOSWELAE-BXKDBHETSA-N	303.200	1.289	50	20	DDGD	
CSc1nsc(NC(=O)NNC(=O)CC(F)(F)F)n1	757600560	SIVIRSQEIIFHIC-UHFFFAOYSA-N	315.302	1.365	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1nc(C(C)(C)C)cs1	755429555	HWSRHPPDLVSJGW-UHFFFAOYSA-N	322.394	1.939	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)CCc2ccoc2)c1	753178293	PXDOLTDGFKVCJN-UHFFFAOYSA-N	318.329	1.691	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCC[C@H](O)c1ccccc1	855007663	XLXHPSRXGLVPSZ-CFVMTHIKSA-N	320.389	1.463	50	20	DDGD	
CO[C@@H](C)CNC(=O)NNC(=O)c1c(Cl)cccc1Cl	852052574	NWWLHALVFYBFJR-ZETCQYMHSA-N	320.176	1.972	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccc(C(N)=O)o2)C[C@H]1Br	857395403	XOVGVFTXKJMXPJ-KCJUWKMLSA-N	301.140	1.282	50	20	DDGD	
CC[C@]1(C(=O)NNc2cccc(C(=O)OC)c2C)CCNC1=O	869256343	JIQILNRXZNTHQI-INIZCTEOSA-N	319.361	1.141	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cccc(-c2nnnn2C(C)C)c1	861297868	UEKGPGNXLJHKCR-UHFFFAOYSA-N	317.353	1.484	50	20	DDGD	
C[C@H](NNC(=O)CN(C)c1ccccc1[N+](=O)[O-])C(F)(F)F	862310671	CVDCRMVFPFUQDZ-QMMMGPOBSA-N	320.271	1.603	50	20	DDGD	
COC1CC(C(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)C1	860481695	RIDYJLDXNKZGNG-UHFFFAOYSA-N	320.374	1.324	50	20	DDGD	
CN(C)C(=O)NCCN(C)C(=O)[C@H](Br)C(C)(C)C	768380284	WISLRJUIQUXRNQ-VIFPVBQESA-N	322.247	1.526	50	20	DDGD	
COc1ccc(NNC(=O)CCCOC2CCOCC2)nc1	867644737	YCSMWYZBSBHRFK-UHFFFAOYSA-N	309.366	1.509	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)O)CN(S(=O)(=O)CC(C)(C)CCl)C1	864495961	ODIMADVALQVXPN-VHSXEESVSA-N	311.831	1.624	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2cn3c(n2)CCCC3)c1	862479647	WGOPMBSBQDADQV-UHFFFAOYSA-N	304.375	1.664	50	20	DDGD	
CCn1nncc1CNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	862361020	JUCFTWSJQKFPDP-ACAGNQJTSA-N	323.360	1.040	50	20	DDGD	
CCN(CCC(=O)NC)/C(=C\C#N)c1ccc([N+](=O)[O-])cc1	933863918	KRSHJOXKMZZQTI-ZSOIEALJSA-N	302.334	1.917	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)oc1C	767779402	LKFVXSPWUGVVNN-UHFFFAOYSA-N	302.286	1.700	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NN=C1CCS(=O)CC1	761805188	ONMFBHIOCWZICC-KXPFFURISA-N	312.366	1.608	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1COc2ccc(O)cc2O1	868372759	CGQHFLGTQOBHJZ-JTQLQIEISA-N	306.145	1.794	50	20	DDGD	
C[C@H](CNC(=O)NNc1ncccc1F)CC1(C)OCCO1	868858472	HGBQELUPOUBJBI-JTQLQIEISA-N	312.345	1.636	50	20	DDGD	
CC(C)OCc1cccc(NC(=O)C(=O)NNC(=O)C2CC2)c1	763557200	DODRCYSNTPGESY-UHFFFAOYSA-N	319.361	1.108	50	20	DDGD	
Cn1nc2c(c1C(=O)NNc1ccc([N+](=O)[O-])cc1)CCCC2	768255153	JZLQWWQBAFQXNF-UHFFFAOYSA-N	315.333	1.964	50	20	DDGD	
COc1ccc(NNC(=O)C2(C#N)CCOCC2)c([N+](=O)[O-])c1	768328760	JHSAFGXGCILPDW-UHFFFAOYSA-N	320.305	1.367	50	20	DDGD	
Cc1cccc(NNC(=O)C(=O)Nc2cnn(C(C)(C)C)c2)n1	861959266	AULXPYLOKQTNTJ-UHFFFAOYSA-N	316.365	1.423	50	20	DDGD	
CCCCC1CCC(C(=O)NNC(=O)COCCOC)CC1	869912415	JYTGZXLQMPDVES-UHFFFAOYSA-N	314.426	1.793	50	20	DDGD	
C[C@H](NNC(=O)COc1cccc([N+](=O)[O-])c1)C(F)(F)F	862308144	YSCYHQRVWZOFQU-ZETCQYMHSA-N	307.228	1.545	50	20	DDGD	
C[C@@H](NNC(=O)CN1Cc2ccccc2C1=O)C(F)(F)F	862312685	RNHAQQDOXCKZEY-MRVPVSSYSA-N	301.268	1.214	50	20	DDGD	
C[C@@H](C(=O)NNc1ncnc2ccsc12)[C@H]1CCC(=O)N1	860197313	UCMGYJXJGRFDMX-HTQZYQBOSA-N	305.363	1.049	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCN2C2CCCC2)c(O)c1	862468043	AIAMERMXVRBVKU-CQSZACIVSA-N	317.389	1.479	50	20	DDGD	
O=C(CCc1cncnc1)NNC(=O)c1ccccc1Cl	1117698132	XFUNBZRFGZHCFR-UHFFFAOYSA-N	304.737	1.524	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)c3c(F)cccc3F)nc21	1116321761	NDXLUBSAHWYLIY-UHFFFAOYSA-N	320.259	1.104	50	20	DDGD	
CCOc1nccc(C)c1C(=O)NNC(=O)NC1CCCC1	765256703	CRWNNORJQAVDLS-UHFFFAOYSA-N	306.366	1.675	50	20	DDGD	
CCCCc1ccc(NC(=O)C(=O)NNC(=O)C(C)C)cc1	763832825	SNQKRKVIWWZTRC-UHFFFAOYSA-N	305.378	1.771	50	20	DDGD	
CC[C@H](O)[C@H](C)C(=O)NNc1cncc(Br)c1	1119533468	XMUFVDBELPAGDN-XVKPBYJWSA-N	302.172	1.694	50	20	DDGD	
CC[C@]1(C(=O)OC[C@H](CBr)C2CC2)CCNC1=O	870046851	NNRAAMUIPPVKEP-GWCFXTLKSA-N	318.211	1.867	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1C[C@H](c2cccc(OC)c2)C1	875648859	VTNYRXFPBNEVGC-HAQNSBGRSA-N	307.350	1.854	50	20	DDGD	
CCO[C@H](C(=O)NNC(=S)Nc1ccccc1OC)C1CC1	873771212	ODRMIDDIAAIBPA-ZDUSSCGKSA-N	323.418	1.828	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc(N2CCCCC2)s1	779821527	ZEZCYVALZYQDNH-UHFFFAOYSA-N	324.406	1.545	50	20	DDGD	
COC[C@H](OC)C(=O)NNC(=S)Nc1cc(C)ccc1F	874947441	KPNGCBVSXXTJHL-NSHDSACASA-N	315.370	1.113	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F	778527784	ICWMXOVFCCZBFS-UHFFFAOYSA-N	317.248	1.613	50	20	DDGD	
CCn1nc(C(=O)NNc2ccc3ccccc3n2)ccc1=O	777465300	IKASXNMWAFSSGQ-UHFFFAOYSA-N	309.329	1.568	50	20	DDGD	
CCc1ccc(CCNC(=O)NNC(=O)C2CCNCC2)cc1	1117965303	QEVUMRUOVKRMQK-UHFFFAOYSA-N	318.421	1.122	50	20	DDGD	
O=C(NNC(=O)c1ccnn1CC1CCC1)c1ccccc1O	878004181	PEKHJQZDPHJACQ-UHFFFAOYSA-N	314.345	1.464	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)NC1CC(c2ccccc2)C1	883321815	MMJOQLOWWKGWSX-UHFFFAOYSA-N	311.345	1.367	50	20	DDGD	
O=C(NNc1ccccn1)c1ccc2c(=O)n3c(nc2c1)CCC3	777468934	CYPDFZUEXZDJAI-UHFFFAOYSA-N	321.340	1.495	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCSc2ccccc21)C1CCOCC1	883063973	JSYJFZPSKPIHKQ-CYBMUJFWSA-N	320.414	1.840	50	20	DDGD	
C[C@H](OC1CCCCCC1)C(=O)NNC(=O)C1CCOCC1	883065182	CUHCAALSJYIXJP-LBPRGKRZSA-N	312.410	1.688	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1	782837984	WSGHLWBHWJCIFK-UHFFFAOYSA-N	318.293	1.850	50	20	DDGD	
CCOc1cccc2c1OCC(C(=O)NN=c1cc[nH]cc1)=C2	780761366	QHKXTMGDNFVJLZ-UHFFFAOYSA-N	311.341	1.821	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@@H]1CCCN(C(C)=O)C1	788191547	TWBBEQMGDMNAAP-LLVKDONJSA-N	309.341	1.536	50	20	DDGD	
O=C(CNS(=O)(=O)CCCCl)N1CCc2ccccc21	881853155	LHDHZIKBGPDLOM-UHFFFAOYSA-N	316.810	1.124	50	20	DDGD	
C[C@H](CC(N)=O)C(=O)NNc1cc(Br)ccc1F	885147864	QFEHWNPYYMHHOW-ZCFIWIBFSA-N	318.146	1.543	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1c(Cl)nc2sccn12	785462736	QTKDULMPAWGHDA-UHFFFAOYSA-N	300.771	1.660	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CN3CCN2C[C@H]3C)c(Cl)c1	1123897324	DCKOWJOKFBZECU-RISCZKNCSA-N	308.813	1.480	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)C2CCOCC2)cc1F	883062107	QRRWPSNJGRAOGK-UHFFFAOYSA-N	309.341	1.079	50	20	DDGD	
C#CCCCC(=O)NNC(=O)COc1ccc(F)cc1Cl	887139347	LFNKICANVBUETP-UHFFFAOYSA-N	312.728	1.809	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1cc(N2CCOC2=O)ccc1F	780761438	UTLROUHWNMGIHW-UHFFFAOYSA-N	316.292	1.356	50	20	DDGD	
Cn1ccc(N2CCC[C@H](OC(=O)/C(C#N)=C\C3CC3)C2=O)n1	786677991	MKXHIFSEHIVAJF-SUIFULHWSA-N	314.345	1.319	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H](C)[C@@H]2CCOC2)c1	780835661	WPQVTZFCRQKVHF-ZYHUDNBSSA-N	307.350	1.524	50	20	DDGD	
CCc1c(C(=O)NNC(=S)NC(C)(C)C)[nH]c(C)c1C(C)=O	899992457	YCMYQELUZVIVTC-UHFFFAOYSA-N	324.450	1.996	50	20	DDGD	
CCN(C)c1ccccc1CNS(=O)(=O)CBr	782433931	FTVRNSDCIPSOTC-UHFFFAOYSA-N	321.240	1.915	50	20	DDGD	
COCC(=NNC(=O)[C@H](C)CN1CCOCC1)C1CCCC1	780200583	JPDWXLRYHCSDEY-CYBMUJFWSA-N	311.426	1.264	50	20	DDGD	
COc1ccc(OC)c(C(=O)NNc2ncncc2Cl)c1	781820621	ZDFXTWMQFZLGFD-UHFFFAOYSA-N	308.725	1.904	50	20	DDGD	
CSC1(C(=O)NNC(=O)COc2ccccc2F)CCC1	786638662	OULOLUDBAQBLDW-UHFFFAOYSA-N	312.366	1.638	50	20	DDGD	
O=C(NNc1ncncc1Cl)NC1Cc2ccccc2C1	781016660	OGWRQPWHVVQTSX-UHFFFAOYSA-N	303.753	1.924	50	20	DDGD	
CN(CC1CC1)C[C@H]1CCN(S(=O)(=O)CCCCCl)C1	780805362	UIYVISXOAGOQNT-CQSZACIVSA-N	322.902	1.999	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc(Cn2cccn2)o1	899992235	SNYDNUNDWUXSBF-UHFFFAOYSA-N	321.406	1.432	50	20	DDGD	
Cc1nn(C)c(/C=C(/C#N)S(C)(=O)=O)c1Br	790601078	IUDFMVCFXZEZOP-DAXSKMNVSA-N	304.169	1.400	50	20	DDGD	
O=C(NN=CCC1CCCCCC1)N[C@H]1CCS(=O)(=O)C1	799109515	DVEKBPMXGJTAKQ-ZDUSSCGKSA-N	315.439	1.819	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	795985002	DRVZXQJOQOKPGH-GMXVVIOVSA-N	316.398	1.173	50	20	DDGD	
COC(=O)c1nn(C)c(C)c1/C=C(\C#N)C(=O)C1CCOCC1	792905769	OBIPIJIUCOAJPO-XYOKQWHBSA-N	317.345	1.418	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCOC2CCCC2)n1	792890660	LTJYDUMSFLPUFP-UHFFFAOYSA-N	306.366	1.293	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Nc1cc(C)ns1	794225898	VEOXASVHHLGPGP-UHFFFAOYSA-N	316.383	1.393	50	20	DDGD	
CN(C)c1ncccc1C(=O)NNc1cccc(F)c1[N+](=O)[O-]	791071141	XLAFXUUAKUGFOG-UHFFFAOYSA-N	319.296	1.952	50	20	DDGD	
CC(C)(C#N)c1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1	793449150	XUVWYXRXIUYBCA-UHFFFAOYSA-N	311.345	1.215	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)CNc1cccc(OC)c1	794906063	HTNWVZCEDNTJQK-NHYWBVRUSA-N	323.393	1.316	50	20	DDGD	
Cn1c(Cl)cnc1C=NNC(=O)CNc1ccccc1F	799468011	NDOZSXVBBGLVPO-UHFFFAOYSA-N	309.732	1.775	50	20	DDGD	
COc1ccccc1-n1nccc1C=NNC(=O)c1cnccn1	797402356	YFEGVWWWXAIMAD-UHFFFAOYSA-N	322.328	1.435	50	20	DDGD	
COc1ccc(C)cc1CC(=O)NNc1nncc(N)c1Cl	1319213962	AVJFLPJENXYPJZ-UHFFFAOYSA-N	321.768	1.715	50	20	DDGD	
CCOc1ccc(C(=O)NNc2ccc(C(=O)OC)cn2)cn1	1319527408	QNPCWGWCSZQUNE-UHFFFAOYSA-N	316.317	1.419	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCC[C@@H]2CCCN2)cc1	1325327423	UWIUEUAHBBMWCC-ZDUSSCGKSA-N	320.393	1.171	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cn(C)cc1C(F)(F)F	1329541060	WTPXTLWXRJOCKV-JGVFFNPUSA-N	319.283	1.230	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)[C@H]1CCCCCN1	1326795607	YWUFGMZIBBOTNN-SECBINFHSA-N	314.187	1.214	50	20	DDGD	
Cc1cc(C=NNC(=O)CCCNC(=O)OC(C)(C)C)ncn1	1330284728	CLFFOCFNTRHAFX-UHFFFAOYSA-N	321.381	1.540	50	20	DDGD	
CC(C)(C)NCC(=O)NNC(=O)c1nc2ccccc2s1	1336053992	PLBUSADTALTXTL-UHFFFAOYSA-N	306.391	1.445	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CC(=O)NNC(=O)C1CCOCC1	1331960002	MXQHCWGHNIBARE-SECBINFHSA-N	309.366	1.359	50	20	DDGD	
COC(=O)C(=O)NN=Cc1c[nH]c2cccc(Br)c12	1253611059	ARFCFTFHFSRRCB-UHFFFAOYSA-N	324.134	1.554	50	20	DDGD	
O=C(/C=C\c1nccs1)NNC(=O)Cc1ccccc1F	1337474604	HESKALNGGLQMBN-WAYWQWQTSA-N	305.334	1.686	50	20	DDGD	
C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)NNC(=O)c1cn[nH]c1	1261791852	CVCLKFQBERRISO-HTRCEHHLSA-N	305.260	1.037	50	20	DDGD	
Cc1nn(C)c(C(=O)NNc2cccc(C#N)c2)c1[N+](=O)[O-]	1347816848	CQRUMMZTJYCWJJ-UHFFFAOYSA-N	300.278	1.265	50	20	DDGD	
N#CCC1(O)CN(S(=O)(=O)c2ccc(CCl)cc2)C1	1350876169	JVBXMLHBFUUWAI-UHFFFAOYSA-N	300.767	1.074	50	20	DDGD	
Cc1ccc(C(=O)O)cc1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	1600359720	YNFBPNVJNWGLNS-ONGXEEELSA-N	321.333	1.271	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2cc(C(=O)O)c(C)o2)n1	1600658635	JFJGZJWAIPPFAC-UHFFFAOYSA-N	307.331	1.744	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2cccc(C(F)(F)F)n2)[nH]1	1602324171	CVPJGQGEWCQTEO-UHFFFAOYSA-N	314.223	1.884	50	20	DDGD	
Cc1c(NNC(=O)c2cnc3n2CCCC3)cccc1C(=O)O	1600055202	MRYLOHRWMQVREQ-UHFFFAOYSA-N	314.345	1.983	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccccn2)cc(C(=O)O)c1	1607690444	FYPYQUCCEKDOHM-UHFFFAOYSA-N	314.301	1.555	50	20	DDGD	
Cc1c(NNC(=O)N[C@H]2CCO[C@H](C)C2)cccc1C(=O)O	1600050367	DICJQRLNQLNEJT-KOLCDFICSA-N	307.350	1.887	50	20	DDGD	
Cc1ccc(NNC(=O)c2cnc3n2CCC3)cc1C(=O)O	1600461437	KJFGMTIVRPABJF-UHFFFAOYSA-N	300.318	1.593	50	20	DDGD	
Cc1[nH]nc(Cl)c1C(=O)NNc1ccc(C(=O)O)cc1F	1607937094	RYNUEOFOCQIFJO-UHFFFAOYSA-N	312.688	1.966	50	20	DDGD	
Cc1cccc(CC(=O)NNc2ccc(-c3nn[nH]n3)cn2)c1	1605914140	ZPPKKFTYPZTCJT-UHFFFAOYSA-N	309.333	1.256	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)Nc1ccc(C(=O)O)cc1	1608479410	FFMSXRBACVGOHH-UHFFFAOYSA-N	315.285	1.557	50	20	DDGD	
Nc1cnnc(NNC(=O)/C=C\c2ccc(C(=O)O)o2)c1Cl	1601219087	VQEXVRFABUFFNZ-RQOWECAXSA-N	323.696	1.160	50	20	DDGD	
Cc1ncc(NC(=O)NNc2ncc(F)cc2F)cc1C(=O)O	1600744358	TXWXOHIGFLCSMX-UHFFFAOYSA-N	323.259	1.910	50	20	DDGD	
O=C(NN[C@H](C(=O)O)C1CC1)c1cccc(OC(F)F)c1	1601557461	MDCAVGQBVKKVDO-JTQLQIEISA-N	300.261	1.386	50	20	DDGD	
COc1ccc(OCC(=O)NN=CCC(C)(C)C(=O)O)cc1	1610344019	KMTYNXPXVVQCNY-UHFFFAOYSA-N	308.334	1.677	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCO[C@H]1c1ccnn1C)c1cc[nH]n1	1549314712	JXULDNMFYICDIV-SMDDNHRTSA-N	316.365	1.151	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@H]2CCCO[C@@H]2c2nccn2C)CO1	1549318517	YGTIBKDZWUKUKQ-WXHSDQCUSA-N	306.366	1.169	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc2c(nc3ccccn32)s1	1548723572	VQZOLIKBDCZHOM-VIFPVBQESA-N	304.375	1.506	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@@H]1C=NNC(=O)c1ccon1	1553287591	GGUIJKBNKVBDMP-ZYHUDNBSSA-N	303.322	1.384	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@@H]1C=NNC(=O)c1cn[nH]c1	1552762688	LHSSVWLKZQBCQR-PWSUYJOCSA-N	302.338	1.120	50	20	DDGD	
Cc1c(NNC(=O)c2cc(CN)n(C)c2C)cccc1[N+](=O)[O-]	1579541296	PEZAZPLMGQTMGB-UHFFFAOYSA-N	317.349	1.766	50	20	DDGD	
O=C(CC[C@H]1CCCNC1)NNC(=O)c1cc2ccccc2o1	1580527596	AHLOIHVLCPGCOG-GFCCVEGCSA-N	315.373	1.974	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@H]1CC[C@@H](C2CC2)N1	1580743283	XNJUGHYNCXDBLW-QWHCGFSZSA-N	301.394	1.718	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NC[C@@H](C(=O)O)C1CCC1	1588717538	ARRBXVBSESSECS-SECBINFHSA-N	301.343	1.226	50	20	DDGD	
CCOc1ccc(NNC(=O)c2coc(-c3nn[nH]n3)c2)cc1	1590838799	DJKOBEWSBJKUDT-UHFFFAOYSA-N	314.305	1.615	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)O)CCCCC1)NC1CCCCC1	1594779279	OWCQGXAHLPZYLG-UHFFFAOYSA-N	311.382	1.685	50	20	DDGD	
CO[C@H](C(=O)O)C(=O)NNc1ccccc1Cc1ccccc1	1593911390	KDXYCBUIONKXTJ-HNNXBMFYSA-N	314.341	1.820	50	20	DDGD	
CO[C@@](C)(C(=O)O)C(=O)NNc1ccccc1Br	1593926324	GOMXEORFOCDOEQ-LLVKDONJSA-N	317.139	1.382	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=Cc2c(O)cccc2F)c1	1776096702	OBDUGGKOFZYQQC-UHFFFAOYSA-N	302.261	1.993	50	20	DDGD	
CC(C)(C)[C@@H]1OCC[C@H]1C(=O)NN=Cc1c[nH]c(C(=O)O)c1	1776107330	VCNASKPKYLLUKY-ZYHUDNBSSA-N	307.350	1.614	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CO[C@@H](C)CC)c1	152727668	KSZZXZPTKXFCIV-NSHDSACASA-N	305.403	1.801	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CCNC(=O)CC(C)C)c1	157082480	FCYWKJRHTZFIBT-UHFFFAOYSA-N	311.357	1.830	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@H](C)c2nccs2)nc1	157702240	RQGYBVVYWIAONH-VIFPVBQESA-N	307.379	1.977	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cccc(-n3cnnn3)c2)cc1	155341791	XJBWLSHCBVUTEI-UHFFFAOYSA-N	305.301	1.291	50	20	DDGD	
COc1cc(F)cc(NNC(=O)Cc2c(C)nn(C)c2C)c1	156542461	ZBVWIWGPVOAFIO-UHFFFAOYSA-N	306.341	1.870	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C2=CCCCC2)cn1	154748135	CKQPKKLAQRZSOZ-UHFFFAOYSA-N	306.391	1.908	50	20	DDGD	
COc1ccc(NNC(=O)Cc2cccc(OCC#N)c2)nc1	159415345	LPENZIFMPBFHMR-UHFFFAOYSA-N	312.329	1.678	50	20	DDGD	
C=CCNC(=O)CNS(=O)(=O)c1ccc(CCl)cc1	393820628	RBHKPNNACNRFCF-UHFFFAOYSA-N	302.783	1.006	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)c1cscn1	103216829	FDTQCNGGYNYIEG-UHFFFAOYSA-N	312.445	1.556	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CNC(=O)c1ccco1)c1ccsc1	119139174	CSFQZVLJFQLWBW-SECBINFHSA-N	321.358	1.022	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Nc1ccc(C#N)cc1	56502092	GRZIHNKRAMDIHR-UHFFFAOYSA-N	324.340	1.962	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F	116562860	WALCMPUABRVGIJ-GZMMTYOYSA-N	313.304	1.188	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NCC2CCC(C)CC2)n1	56818610	KTPRJPVEBIJFIH-UHFFFAOYSA-N	321.425	1.657	50	20	DDGD	
COc1ccnc(NNC(=O)COc2cc(C)ccc2C)n1	55104246	ZNBHNXRLQDLSSZ-UHFFFAOYSA-N	302.334	1.624	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)c2ccccc2O)c1	175068516	XIEXTIKWXLZCGN-UHFFFAOYSA-N	315.285	1.684	50	20	DDGD	
C=CCNC(=S)NNC(=O)/C=C/c1nc2ccccc2s1	66276775	ZGIOCHWPPLJVMD-BQYQJAHWSA-N	318.427	1.991	50	20	DDGD	
C=CCn1cnnc1SCC(=O)NNC(=O)c1ccccc1	22711672	SFYSJCLTSAWQAN-UHFFFAOYSA-N	317.374	1.017	50	20	DDGD	
Cc1ccoc1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	26977185	QLTKZWLVIIWKQK-LBPRGKRZSA-N	302.286	1.189	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2COc3ccccc32)c(O)c1	113460626	YFMIGJJOTBDHDA-ZDUSSCGKSA-N	312.325	1.638	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2COc3ccccc3C2)o1	176420481	YSLXQFDJFUDIRO-GFCCVEGCSA-N	315.329	1.536	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)Cc2ccc(F)cc2)s1	25628628	DQYNCALCHVNRKX-UHFFFAOYSA-N	307.350	1.903	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccc2nncn2c1)c1ccccc1	110336112	KXTDCHDZKFUZQC-CQSZACIVSA-N	323.356	1.684	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1nnc(-c2ccco2)n1C	117546395	HLNLKYFQHAGVKB-QMMMGPOBSA-N	323.378	1.113	50	20	DDGD	
COc1ccnc(NNC(=O)NCCc2ccc(C)cc2)n1	116554420	MHYUAKSRNQMOKO-UHFFFAOYSA-N	301.350	1.662	50	20	DDGD	
CCOCC(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1	23154697	VGGJMPDSPUUOFF-UHFFFAOYSA-N	310.350	1.280	50	20	DDGD	
CC(C)COCCC(=O)NNC(=O)CCOc1ccccc1	61476013	UGJJFUQZWRIMQD-UHFFFAOYSA-N	308.378	1.666	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cccc(C)c2F)nc1	124310230	XKJQUXXOSUBELP-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)NCCc2cccs2)cn1	65204284	LQRRBKDVLIFFBU-UHFFFAOYSA-N	305.363	1.033	50	20	DDGD	
CN(NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)C(N)=O	181093159	DJRSZMQOFAKDKJ-VHSXEESVSA-N	312.167	1.594	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)n1	127722723	GGOXUKPWCOPAAI-QWRGUYRKSA-N	320.397	1.045	50	20	DDGD	
O=C(CC[C@@H]1CCOC1)NNc1ccc(C(F)(F)F)nn1	123870993	GAYJIQGDAFGYCE-MRVPVSSYSA-N	304.272	1.755	50	20	DDGD	
CC(C)C[C@H](CCO)CNC(=O)NNc1nc2ccccn2n1	189400590	NWXDOWZQGANKHV-LBPRGKRZSA-N	320.397	1.400	50	20	DDGD	
CC(C)OCCCC(=O)NNC(=O)Cc1cn2ccccc2n1	182976531	BZQIFBRIXPWCGD-UHFFFAOYSA-N	318.377	1.229	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	128650952	CDLLYCPHVNAUCI-AWEZNQCLSA-N	316.361	1.653	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(OC2CCC2)cc1	79552044	UNGCMEDWPYMEAC-AWEZNQCLSA-N	304.346	1.558	50	20	DDGD	
O=C(CSc1ccc(C(F)(F)F)cn1)NNC(=O)C1CC1	72595828	VKGVDUVASLIAED-UHFFFAOYSA-N	319.308	1.750	50	20	DDGD	
N#CC1(C(=O)NNC(=O)COCc2ccccc2)CCCCC1	78193112	DAEIDFAOXKKHDS-UHFFFAOYSA-N	315.373	1.825	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1ccc(C(F)(F)F)nc1	183418046	DFMLSDOVUADVGT-UHFFFAOYSA-N	313.239	1.895	50	20	DDGD	
CCn1nc(C)c(NC(=O)NNC(=O)c2ccncc2)c1C	183652340	YBBRTKAYNLZYSZ-UHFFFAOYSA-N	302.338	1.381	50	20	DDGD	
O=C(NNC(=O)c1cc(Br)c[nH]1)C1=CCCCO1	72818010	SNXIRTOAFUGNCY-UHFFFAOYSA-N	314.139	1.233	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)Nc2cccc(C#N)c2C)n1	185512536	SJEFGIRBFJLPRU-UHFFFAOYSA-N	324.344	1.355	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)n1cccn1	44667976	WZIJYXIVFXOYGA-GVMDUPDNSA-N	316.405	1.808	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNc1cc(Cl)nc(N)n1	133922645	OVPKGBOYEMXFJG-ZCFIWIBFSA-N	323.788	1.689	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCn2cncc2C1)c1c[nH]c2ccccc12	135927056	FOEMLTZQJCWWGW-NSHDSACASA-N	323.356	1.388	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cnc(Cl)c(C)c1	133261257	UNHKBOVUVDREPW-UHFFFAOYSA-N	308.729	1.991	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NNc2cnc3ccccc3n2)C1	193473724	ZVTXERFLPDMLOV-LBPRGKRZSA-N	313.361	1.331	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(F)ccc1Br	49298435	FZMWUQHWXHUXTR-UHFFFAOYSA-N	318.146	1.942	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNC(=O)OC(C)(C)C	144233626	BPEYYVQXVUISAR-IUCAKERBSA-N	303.359	1.313	50	20	DDGD	
CCCC(=CC(=O)NNC(=O)CNC(=O)c1ccco1)CCC	92350585	PUYCRRPACMSNKK-UHFFFAOYSA-N	321.377	1.683	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)/C=C\c1ccc(Cl)cc1	255269136	OESGFFIDSYZXRL-YVMONPNESA-N	309.753	1.025	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccccc1F	254987953	UPWVLFAPQGEDSD-FLIBITNWSA-N	314.320	1.885	50	20	DDGD	
CN1C[C@@H](NC(=O)NNc2cc(Cl)ccc2Cl)CC1=O	268069453	VXUMCCPHXMSUOD-QMMMGPOBSA-N	317.176	1.850	50	20	DDGD	
CC(=O)c1cccc(OCCCC(=O)NNC(=O)C2CCC2)c1	264753014	LNKZZZXVEWKLDU-UHFFFAOYSA-N	318.373	1.996	50	20	DDGD	
O=C(C[C@H]1CSCCS1)NNC(=O)c1ccccc1O	269801184	BGBRWPVMLAVYCE-VIFPVBQESA-N	312.416	1.392	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)C1CCSCC1	264846403	GLKHZWNCLFVEFL-UHFFFAOYSA-N	318.402	1.327	50	20	DDGD	
C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NNc1cnccn1	266996323	IYXJJTGRNZLVKL-JTQLQIEISA-N	309.370	1.423	50	20	DDGD	
CCS(=O)(=O)N1CCC[C@@H](C(=O)NNc2ccccc2)C1	264873982	RQOWNMQIEIBWBH-GFCCVEGCSA-N	311.407	1.191	50	20	DDGD	
CCCc1nc(C(=O)NNC(=S)NCCSC)co1	273878400	QGTTVYDZONTVNG-UHFFFAOYSA-N	302.425	1.099	50	20	DDGD	
COCCN1CC[C@@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)C1	273219321	RQAXSLYILXDZBA-SCOADAFUSA-N	317.364	1.570	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1C1CC1)c1ccc(Cl)nc1	279477756	KOIQFSBIFDLPFD-NSHDSACASA-N	308.769	1.123	50	20	DDGD	
CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NN)c1	270203408	GXCFAMFAVORQPY-UHFFFAOYSA-N	305.787	1.020	50	20	DDGD	
CCC(CC)(CNC(=O)NNc1ccc(OC)cn1)C(=O)OC	275939417	IZGUUAFVOHOJPK-UHFFFAOYSA-N	324.381	1.696	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2nc(-c3ccncc3)no2)CCO1	271895754	VCKXAXULSGWUED-ONGXEEELSA-N	303.322	1.390	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc2c(c1)NC(=O)CS2	271435545	ULHCLAAGASZQTB-UHFFFAOYSA-N	322.390	1.930	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)c(C)c1	274208684	MWUIMQQWSJBBDY-UHFFFAOYSA-N	323.349	1.498	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cccc(C(=O)NC2CC2)c1	273357412	VFRZXQMWUGPTIC-UHFFFAOYSA-N	318.377	1.778	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1	274045443	HEHUJZCKXYMERW-UHFFFAOYSA-N	322.321	1.117	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1	286304373	KABNDZPSELRTPW-CYBMUJFWSA-N	319.361	1.073	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H]1C(=O)NNc1ccc(C#N)c(Cl)c1	286007909	HZMMEAZLZYRFDX-GHMZBOCLSA-N	307.737	1.854	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccsc1)NC1CCCCC1	285073632	KGFAPSCJDWZFTL-UHFFFAOYSA-N	303.409	1.573	50	20	DDGD	
CCC[C@@H]1C[C@H]1NC(=O)NNc1ccc(-n2ccnc2)nn1	286509089	APRJEBYYGYRKSQ-GHMZBOCLSA-N	301.354	1.477	50	20	DDGD	
COc1nccnc1NNC(=O)N[C@@H](C1CC1)C(F)(F)F	288953065	XICCWWHUBCBBKF-ZETCQYMHSA-N	305.260	1.452	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@@H](CCN)C1	286084400	MUPYJNSWNXWHDU-ZDUSSCGKSA-N	312.845	1.940	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)CCS(=O)(=O)N(C)C	281708374	HOXNGTMHBJFSPE-UHFFFAOYSA-N	313.423	1.282	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cnc2c(F)cccc2c1	292181469	MWOULMRXAIIJJO-UHFFFAOYSA-N	318.308	1.061	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccn(-c2ccc(F)cc2)n1	298439036	QVWXEBSHQISGLE-UHFFFAOYSA-N	304.325	1.819	50	20	DDGD	
COc1cccc(CNC(=O)NNC(=O)[C@@H]2CCCCO2)c1	296261277	SLOLLPDZPVBVPQ-ZDUSSCGKSA-N	307.350	1.095	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@@H]1CCCCC1(F)F	294808297	VBJYXAOTYYAJOK-JTQLQIEISA-N	301.293	1.936	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)CSC2CC2)cc1OC	294375332	NQBDESXNLDFAHC-UHFFFAOYSA-N	324.402	1.751	50	20	DDGD	
C[C@@H](NC(=O)[C@@H](Br)C(C)(C)C)C(=O)NCCF	800598424	LPKONAUSYKGVKW-HTQZYQBOSA-N	311.195	1.386	50	20	DDGD	
COCCN(C)NC(=O)CCCCOc1cccc(C#N)c1	293611208	LVLRUIIPCGUPLC-UHFFFAOYSA-N	305.378	1.717	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)COc1ccc(C)cc1)C1CC1	290965289	NWGQQCXLMAXSRP-MRXNPFEDSA-N	306.362	1.336	50	20	DDGD	
O=C(CCNC(=O)c1cccs1)NNc1cccc(F)n1	804773370	VLTUCKSRZUNWBQ-UHFFFAOYSA-N	308.338	1.545	50	20	DDGD	
Cc1c(NNC(=O)COCc2ccccn2)cccc1[N+](=O)[O-]	807121529	WJVZXBWZSFFRPS-UHFFFAOYSA-N	316.317	1.958	50	20	DDGD	
O=C(NNc1ncncc1F)[C@@H]1CCCN(CC(F)(F)F)C1	294216994	YOFLPRVPWQENSM-MRVPVSSYSA-N	321.278	1.333	50	20	DDGD	
CSSCCNC(=O)N(C)CCN1C[C@H](C)O[C@H](C)C1	807227049	XBTWPNVJXBXYAQ-TXEJJXNPSA-N	321.512	1.748	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1	294034182	DIVMJWWJOPIYIE-UHFFFAOYSA-N	302.290	1.637	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1ncoc1C1CC1	292626780	KGCROKSZUZWWRV-UHFFFAOYSA-N	303.293	1.695	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCCCO2)cc1	296321030	XDRCKUKZUPBHEN-CYBMUJFWSA-N	305.334	1.611	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc3c(F)cccc3[nH]2)O1	293876928	JMOPAKXUXOMMTI-SDBXPKJASA-N	305.309	1.636	50	20	DDGD	
Cn1nncc1NNC(=O)c1cc(C2CC2)n(C(C)(C)C)n1	816771479	ONVYQSNBERYDDK-UHFFFAOYSA-N	303.370	1.401	50	20	DDGD	
O=C(NNc1ncncc1F)c1cncc(C(F)(F)F)c1	817082635	VNYNAWJKDOQHGW-UHFFFAOYSA-N	301.203	1.786	50	20	DDGD	
CCc1nc(COc2ccc(C(=O)NN(C)C3CC3)cc2)no1	819646865	HOSCBQZDISGEEP-UHFFFAOYSA-N	316.361	1.950	50	20	DDGD	
COc1cccc(NNC(=O)NCc2cc(C)nc(C)c2)n1	817170305	CEBIXSAESSMARC-UHFFFAOYSA-N	301.350	1.928	50	20	DDGD	
CN(C)C(=O)NN=Cc1cn2ccc(Br)cc2n1	811639932	KBOMLTIXBDQBQN-UHFFFAOYSA-N	310.155	1.702	50	20	DDGD	
C[C@H]1C(=NNC(=O)C[n+]2ccccc2)CCN1Cc1ccccc1	811630105	UJQSNRUJEANDHF-INIZCTEOSA-O	323.420	1.741	50	20	DDGD	
Nc1nc2c(s1)C(=NNC(=O)Cc1cccnc1)CCC2	814837762	JSNNMMBCVUUQLV-UHFFFAOYSA-N	301.375	1.520	50	20	DDGD	
Cc1csc([C@](O)(CC(=O)NN(C)C2CC2)C(F)(F)F)n1	819646421	XXMMOOADULXFQM-LLVKDONJSA-N	323.340	1.717	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1cccc(C(=O)O)c1	814952874	PEPKFOYSQDCMRE-UHFFFAOYSA-N	314.297	1.620	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1ccc(-n2cccn2)cc1	814957079	KZHKTVYZJWTJRW-UHFFFAOYSA-N	308.345	1.678	50	20	DDGD	
Cn1cc(C(=O)NNC(=S)Nc2ccc(F)cc2F)cn1	725909218	GQDWBDXTOODEJL-UHFFFAOYSA-N	311.317	1.330	50	20	DDGD	
O=C(CC1CCN(CC(F)F)CC1)NNc1ncc(F)cn1	821378320	LRTHKMXDZVQHDW-UHFFFAOYSA-N	317.315	1.426	50	20	DDGD	
Cc1nc2ccccc2c(C)c1CC(=O)NN(C)[C@H](C)CO	823965984	XAOPJXSMSGHEBZ-LLVKDONJSA-N	301.390	1.738	50	20	DDGD	
CO[C@]1(C)C[C@@H](NC(=O)/C(C#N)=C\c2cnn(C)c2)C1(C)C	491044044	BEKVKNXZXHAMJZ-BILDBKGDSA-N	302.378	1.647	50	20	DDGD	
CCCCC[C@H](O)C(=O)NNc1ccc(C(F)(F)F)nn1	827684032	BTBDZMOKRCUBQV-QMMMGPOBSA-N	306.288	1.880	50	20	DDGD	
CCOC(=O)N[C@@H](C(=O)NNC(=O)Nc1ccccc1)C(C)C	495785339	IWFDWJCOUSCJSR-GFCCVEGCSA-N	322.365	1.610	50	20	DDGD	
CCOC(=O)N[C@H](CNC(=O)NNC(=O)C(C)C)CC(C)C	493010687	TYWZGWGSWXQXFI-NSHDSACASA-N	316.402	1.134	50	20	DDGD	
CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)NN(C)C(=O)OC	496337394	DDLOYCXROPCPTH-CQSZACIVSA-N	317.386	1.657	50	20	DDGD	
CCCCCS(=O)(=O)CC(=O)NNC(=O)OC(C)(C)C	491087582	XCTKEJGCCCMERQ-UHFFFAOYSA-N	308.400	1.147	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)C1(Br)CC1	824328165	QBULXHSCSOJELE-UHFFFAOYSA-N	306.229	1.209	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(C)c(N2CCNC2=O)c1	496441812	WPZOUNLKRLGHPG-UHFFFAOYSA-N	321.337	1.307	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)Cc1cc(C(C)(C)C)on1	495868326	KDXVMGNOGUZSLD-UHFFFAOYSA-N	305.356	1.005	50	20	DDGD	
C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NNC(=O)C(C)(C)C	493056758	YXZLPYPLJMNAGK-SNVBAGLBSA-N	315.414	1.683	50	20	DDGD	
O=C(NCCc1nnc(S)n1C1CC1)NNc1ccccc1	820378316	YYTFPMAEWSIFIU-UHFFFAOYSA-N	318.406	1.771	50	20	DDGD	
CCC(=O)NN=C1CCOC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C	495367056	MMADNGMDUAXSDA-GHMZBOCLSA-N	313.398	1.818	50	20	DDGD	
CCN(CCO)NC(=O)CSc1nccn1C(C)(C)C	823856176	MLSLMHDRMRSPGP-UHFFFAOYSA-N	300.428	1.076	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCc1ccc(F)cc1	825518112	GAGVEHTWSNJYCM-ZWNOBZJWSA-N	309.341	1.124	50	20	DDGD	
CCn1c(S)nnc1CNC(=O)[C@]1(C)C[C@H]1Br	822304609	IHJUPGRXYDLJCB-LHLIQPBNSA-N	319.228	1.376	50	20	DDGD	
CCCNC(=O)NNC(=O)C[C@H](n1cccn1)C(F)(F)F	823950606	IQLDJCWKSSSTDM-QMMMGPOBSA-N	307.276	1.117	50	20	DDGD	
COc1ccc2c(c1)CCCN(CC(=O)NNC(=O)C1CC1)C2	733199427	XOGUWIYRNWBYIN-UHFFFAOYSA-N	317.389	1.001	50	20	DDGD	
NC(=O)[C@@H]1C[C@@H]1C(=O)NNc1c(Cl)cc(F)cc1Cl	901280881	GUWDTVZXLSHLOX-RITPCOANSA-N	306.124	1.697	50	20	DDGD	
CN(CCNC(=O)NNC(=O)OC(C)(C)C)CC(F)(F)F	491419595	RTDSCSXGICOYGL-UHFFFAOYSA-N	314.308	1.219	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccc(C(=O)NC2CC2)c1	494361639	DUVBXXLLNVUJKV-UHFFFAOYSA-N	306.322	1.361	50	20	DDGD	
CN(C)[C@H](CNCc1ccc(B(O)O)cc1F)C1CCCCC1	585015636	ICPQTSJIHGCXAU-QGZVFWFLSA-N	322.233	1.106	50	20	DDGD	
O=C(COCC1CCCC1)NNC(=O)Cc1ccc(F)cc1	836223904	YVRADMLDCBCXGQ-UHFFFAOYSA-N	308.353	1.722	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCCCC1(F)F	830191130	VHCWOCVDKUCWBD-SNVBAGLBSA-N	322.352	1.749	50	20	DDGD	
CC(C)C(=O)N[C@@H](CO)C(=O)NNc1ccc(C(C)C)cc1	837054157	VAEVKNBNMYLOGH-AWEZNQCLSA-N	307.394	1.386	50	20	DDGD	
CO[C@H]1CCC[C@@H]1CNC(=O)NNc1ncc(F)cc1F	838535712	INQFTPOFYOTIKY-KCJUWKMLSA-N	300.309	1.801	50	20	DDGD	
C[C@@]1(C(=O)Nc2ccc(-n3cncn3)nc2)C[C@H]1Br	905878933	IOXBCCIPAUCBPX-BXKDBHETSA-N	322.166	1.774	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CC[C@H]2CCOC2)ccc1F	837035887	DLIVHPGZSVJTDG-JTQLQIEISA-N	310.325	1.872	50	20	DDGD	
C[C@]1(C(=O)N2CCN([C@H]3CCOC3)CC2)C[C@H]1Br	906976525	PQTUDFYEEINARO-LOWVWBTDSA-N	317.227	1.093	50	20	DDGD	
CCn1nc(C2CC2)cc1C(=O)NNC(=O)c1ccccc1F	905090238	TWIVLEHWABNMSK-UHFFFAOYSA-N	316.336	1.994	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C	730075151	HPJONVJICFWBQS-VIFPVBQESA-N	315.439	1.128	50	20	DDGD	
CC[C@H](Nc1ccccc1)C(=O)NNC(=O)c1c[nH]nc1C	733152026	GASNNXHSPJSWDP-ZDUSSCGKSA-N	301.350	1.370	50	20	DDGD	
CN1CCC(CN(C)C(=O)[C@@]2(C)C[C@H]2Br)CC1	906569880	XCQJZYJJRPFOTA-YPMHNXCESA-N	303.244	1.960	50	20	DDGD	
CCOCCCN1CCC(=NNC(=O)NCC2CC2)[C@@H](C)C1	735229536	IAGFJPAWQXIYJF-ZDUSSCGKSA-N	310.442	1.820	50	20	DDGD	
CCCc1c(C(=O)NNc2cccnn2)[nH]c(C)c1C(=O)O	737044153	RSTWKBWCTIFVHC-UHFFFAOYSA-N	303.322	1.521	50	20	DDGD	
Cc1ccc([C@@H](C)NCc2ccc(B(O)O)cc2F)cc1C	585019785	RSJZYMFBJNYLRK-CYBMUJFWSA-N	301.170	1.973	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc2sc(N(C)C)nc2s1	910171645	ZFNHLQIWOVERNU-ZETCQYMHSA-N	314.436	1.381	50	20	DDGD	
Cc1cc(C(=O)NN(C)C[C@H](C)O)c(C)n1CC(F)(F)F	910179018	HQAPLBAQYMQOPU-VIFPVBQESA-N	307.316	1.625	50	20	DDGD	
Cn1nnc2cc(C=NNC(=O)Cc3ccc(F)cc3)ccc21	737422570	KAGPHEMLBRZNOU-UHFFFAOYSA-N	311.320	1.800	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCCN2CCc3ccccc32)cn1	831609263	BBKGJASQDCNCJP-MHWRWJLKSA-N	321.384	1.506	50	20	DDGD	
CCCc1cnc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)s1	831616711	KTMDJRYZPCDLQM-SCZZXKLOSA-N	312.395	1.673	50	20	DDGD	
N#Cc1cccc(NNC(=O)NCCCN2CCCCC2=O)c1	730129173	HRFLZORZRIHBEE-UHFFFAOYSA-N	315.377	1.587	50	20	DDGD	
N#Cc1cccc(OC2CCN(S(=O)(=O)CCl)CC2)c1	830397429	HBQBYNGSIXAOML-UHFFFAOYSA-N	314.794	1.928	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNc1cccc(C(=O)OC)c1F	837060610	OLWQTNOTMSPIDK-QMMMGPOBSA-N	312.297	1.255	50	20	DDGD	
NC[C@@H](O)CC(=O)NNc1c(Cl)cc(Cl)cc1Cl	911916929	LICIYRIAHRXLKF-LURJTMIESA-N	312.584	1.800	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccc2c(c1)OCO2)C(F)(F)F	742472132	KSEWBTVNAHKCRJ-LURJTMIESA-N	304.224	1.375	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)[C@H](C)Cc1ccccc1[N+](=O)[O-]	833384466	JOUKRRXHRBSDSR-SECBINFHSA-N	322.321	1.533	50	20	DDGD	
Cc1cccc(-c2nc(C)c(C(=O)NN(C)C[C@H](C)O)[nH]2)c1	910160640	MMUHUENNGTZCHN-NSHDSACASA-N	302.378	1.651	50	20	DDGD	
CN(NC(=O)c1ccc(CS(N)(=O)=O)cc1)c1ccccc1	746352788	VVFMXJKYLZQUID-UHFFFAOYSA-N	319.386	1.256	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H]2COCCO2)cc1C(F)(F)F	746896353	OJOISOVBGKDRTG-LLVKDONJSA-N	315.251	1.436	50	20	DDGD	
C[C@@H](CBr)CN1CCC(CO)(NCC2CC2)CC1	844337841	IHJIHNUKJPJRSD-LBPRGKRZSA-N	319.287	1.844	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(Cl)c(Cl)n1C	843640363	CDNQWUKJGTZUHH-BQBZGAKWSA-N	320.176	1.518	50	20	DDGD	
Cc1oc(C(=O)NNc2cccc(F)c2)cc1S(N)(=O)=O	748088314	OBOZKJCUGAXJEK-UHFFFAOYSA-N	313.310	1.131	50	20	DDGD	
COCCn1nc(C(=O)NNc2ccc(F)cc2C)ccc1=O	748563430	WDPLBVAZDOZCKG-UHFFFAOYSA-N	320.324	1.094	50	20	DDGD	
CC[C@H]1NCC[C@H]1C(=O)NNc1ncc(Br)cn1	848436151	HVBBQRZLNCSUGN-RKDXNWHRSA-N	314.187	1.070	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1Oc2cc(O)cc(C)c2C1=O	915951520	DWUPRDAZMBHYQV-UHFFFAOYSA-N	319.361	1.437	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1	840290187	AJMSQPVNOXYFLA-UHFFFAOYSA-N	324.337	1.736	50	20	DDGD	
CC(=NNC(=O)C(N)=O)c1cnn(-c2cc(C)ccc2C)c1C	741756559	HOTSWNJYRKCJTB-UHFFFAOYSA-N	313.361	1.123	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCc1ccc(Cl)cc1	843647403	YQOHVSRUYXQIDY-ZWNOBZJWSA-N	310.781	1.845	50	20	DDGD	
O=C(NCC1CCNCC1)NNc1ccc(OC(F)F)cc1	841924289	WIICKYVKFKGNNE-UHFFFAOYSA-N	314.336	1.914	50	20	DDGD	
Cc1ccc(CC(=NNC(=O)C(=O)NC(C)C)C2CC2)cc1	741847272	KAKHLMJEHQIORN-UHFFFAOYSA-N	301.390	1.944	50	20	DDGD	
C[C@H](CO)C1CCN(S(=O)(=O)CBr)CC1	845996433	OOZNJHFDZGMMPV-MRVPVSSYSA-N	300.218	1.009	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cccc([N+](=O)[O-])c2)nc1	747996010	VOVGKFWOIUNAJN-UHFFFAOYSA-N	316.273	1.533	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)C1	842247795	PHGXJGALNTVOJJ-VIFPVBQESA-N	324.312	1.436	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	848233878	SCMNXSLWYJNDPK-RNFRBKRXSA-N	303.149	1.343	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)COC[C@H]2CCCO2)o1	749941539	HNWIGLKNPOLYCK-SNVBAGLBSA-N	308.338	1.308	50	20	DDGD	
CC#CC[C@H](CO)NC(=O)NC[C@@]1(C)C[C@H]1Br	856961219	XIEVIKVLSOIELR-CKYFFXLPSA-N	303.200	1.233	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NC1CCCCCC1	748614152	VZDYWKBJFVJBLY-LLVKDONJSA-N	301.387	1.091	50	20	DDGD	
Cc1ccc(-c2nc(C)c(C(=O)NN(C)C[C@@H](C)O)s2)o1	910171055	RKGHDPVFGMFMFM-MRVPVSSYSA-N	309.391	1.977	50	20	DDGD	
O=C(NNc1ccccc1OC(F)(F)F)N[C@@H]1CCCNC1	841945008	TVNKPRRKXQBDHN-SECBINFHSA-N	318.299	1.963	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@H](CO)[C@H]1C	840564757	TWDLTTYMJMIKTB-DGCLKSJQSA-N	313.829	1.972	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(OC2CCC2)cc1	843652327	JBABFVORCDSMST-XHDPSFHLSA-N	318.373	1.804	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=S)NCC1CC1	849251912	RUVHULBDTSLWLJ-UHFFFAOYSA-N	308.407	1.012	50	20	DDGD	
O=C(NN=Cc1c[nH]c2ncccc12)[C@H]1COc2ccccc2O1	741761090	WYKZBLGCTGFEBP-OAHLLOKOSA-N	322.324	1.853	50	20	DDGD	
CC(C)C(=O)NNC(=O)Cc1cccc(OC(F)(F)F)c1	747727789	QEBUKHVSMLHUOV-UHFFFAOYSA-N	304.268	1.931	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@H]2CC[C@H](CN)C2)cc1F	842010369	JUIALATXLRHTDK-UWVGGRQHSA-N	324.356	1.366	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCOCC2)cc1)c1ncccn1	841662943	PSANUAFRSDCYMW-UHFFFAOYSA-N	311.345	1.077	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@@H]1CC[C@@H]2CNC[C@H]2C1	842015944	RWLYOHDBGCLBSN-OPRDCNLKSA-N	310.789	1.144	50	20	DDGD	
C[C@H](N)CNC(=O)NNc1ccc(C#N)cc1C(F)(F)F	841983976	GVGCAXVEATWRGF-ZETCQYMHSA-N	301.272	1.550	50	20	DDGD	
CN1CCCC(=NNC(=O)COc2ccccc2C#N)CC1	758100768	WIESHLBEJZFUDH-UHFFFAOYSA-N	300.362	1.525	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC2C[C@@H](C)O[C@H](C)C2)c1	858338253	UMEJRRMBVLPBJU-NXEZZACHSA-N	311.407	1.957	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@H](CN)C2)C[C@H]1Br	857105456	LMAFCTZOZVIKTL-CKYFFXLPSA-N	304.232	1.540	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)C(C)(C)c1ccccn1)C1CC1	855096840	FBCCVWRLEWPJRU-SNVBAGLBSA-N	306.435	1.653	50	20	DDGD	
COC(=O)N[C@@H](CC(C)C)C(=O)NNc1ccc(Cl)cn1	856095631	QGGKRJAVFBTKBZ-JTQLQIEISA-N	314.773	1.949	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1cnn(C2CC2)c1	858150954	OBAQSUVEDJJSKX-UHFFFAOYSA-N	302.309	1.361	50	20	DDGD	
COc1cncc(C=NNC(=O)CCCNC(=O)C(C)(C)C)c1	853406546	IOIAJICQMZNSRL-UHFFFAOYSA-N	320.393	1.483	50	20	DDGD	
CSCc1cccc(NC(=O)NNC(=O)Cc2cc[nH]n2)c1	756498865	YMXGCSQKMZMQKN-UHFFFAOYSA-N	319.390	1.668	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H]1C[C@H]1c1cccc(O)c1)C1CC1	855096017	SAPPTRNBFOBILQ-QCZZGDTMSA-N	319.430	1.790	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC1(CC(=O)OCC)CCOCC1	856313466	QOOZTJDVWZIVBA-VAWYXSNFSA-N	310.350	1.049	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2COC[C@@H]2C)c1F	926019871	RGJBAOUGLJRFOZ-GZMMTYOYSA-N	311.313	1.273	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(Cl)cn1)[C@H](C)S(C)(=O)=O	856091128	FTRBIVFBLKNRGC-SFYZADRCSA-N	305.787	1.247	50	20	DDGD	
CC(=NNC(=O)CC(F)(F)F)c1cccc(OCC(=O)O)c1	757461401	NCACNEIEQGTLFW-UHFFFAOYSA-N	318.251	1.943	50	20	DDGD	
CC(=O)Nc1ccc(NC(=O)NNC(=O)c2cccnc2)cc1	755494477	JOYGIQHNRJUWJU-UHFFFAOYSA-N	313.317	1.507	50	20	DDGD	
C[C@@H](N)CN(C)S(=O)(=O)c1ccc(CCCCl)cc1	858641223	CZLPXBIQCBCFRX-LLVKDONJSA-N	304.843	1.826	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(OC(C)C)c(C)c1	756737672	XJRHPOFLCDHZSH-UHFFFAOYSA-N	309.366	1.971	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)N[C@@H](c1ccccn1)C1CC1	925563691	DLUVKUSVGRZGMC-ZIAGYGMSSA-N	318.377	1.432	50	20	DDGD	
CCCn1nccc1C=NNC(=O)[C@@H]1COc2ccccc2O1	853261089	DTPIHRZGLCPYHS-HNNXBMFYSA-N	314.345	1.583	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1sc(C(C)C)nc1C	751133339	DLGPHNOFVRNWJK-UHFFFAOYSA-N	308.407	1.694	50	20	DDGD	
C[C@H]1C[C@H](CCNC(=O)NNc2ncc(Cl)cn2)CCO1	856885334	WMTDGTDTUFMMJE-VHSXEESVSA-N	313.789	1.961	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@H]2C=NNC(=O)c2cnccn2)cn1	853286131	BUMNECXIMYVNJP-SMDDNHRTSA-N	314.349	1.094	50	20	DDGD	
C[C@H](C(=O)NNc1cnnn1C)N(C(=O)OC(C)(C)C)C1CC1	857270861	RIWQKTCBVNKMHG-SECBINFHSA-N	324.385	1.046	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1c[nH]c2ncccc12)C1CC1	855103002	PLXOYPNEWQFVTG-MRVPVSSYSA-N	303.391	1.470	50	20	DDGD	
C[C@](O)(Cc1ccccc1)C(=O)NNC(=S)NCC1CCC1	855091449	QPAOAPJYLKZNLX-INIZCTEOSA-N	321.446	1.276	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCc1nnnn1CC1CC1	853998692	AEISQJWHXSVVTE-UHFFFAOYSA-N	319.344	1.357	50	20	DDGD	
COc1cc(C(=O)NN=Cc2cc[nH]n2)cc(OC)c1OC	755481377	OALYPGJDFYSMMD-UHFFFAOYSA-N	304.306	1.199	50	20	DDGD	
CC[C@@H](C)n1nc(NC(=O)NNC(=O)c2c[nH]nc2C)cc1C	757909794	FQIMOWYQKKMLDW-MRVPVSSYSA-N	319.369	1.661	50	20	DDGD	
CC(C)C(=O)NCCCNC(=O)NNc1ccc(Cl)cn1	852228157	MXWJWGPWRFOERR-UHFFFAOYSA-N	313.789	1.523	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)C[C@@H]1CC[C@H]2C[C@H]12	855825339	BIRCMISBZKJLGU-AVGNSLFASA-N	323.437	1.513	50	20	DDGD	
Cc1cc(S(N)(=O)=O)oc1C(=O)N(C)CC(Cl)Cl	854478891	LQSKBZYEXLZJOO-UHFFFAOYSA-N	315.178	1.111	50	20	DDGD	
C[C@@]1(CNC(=O)c2nc[nH]c3nccc2-3)C[C@H]1Br	857390396	XXMCOHMBWOKKQM-PELKAZGASA-N	309.167	1.813	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1	858907369	MUGXBTIEAXTJDX-CYBMUJFWSA-N	324.812	1.607	50	20	DDGD	
CNC(=S)N(C)NC(=O)Cc1cc(Cl)cc2c1OCC2	854923117	ZZYQAAVNBGXJKM-UHFFFAOYSA-N	313.810	1.285	50	20	DDGD	
O=C(NNc1cc(F)cc(Cl)c1)C1CCS(=O)(=O)CC1	855618364	CKEYSROGYZRIHS-UHFFFAOYSA-N	320.773	1.747	50	20	DDGD	
COc1cnc(C(=O)NC[C@]2(C)C[C@H]2Br)nc1	857387866	NWBNGAWMTZBKJX-KCJUWKMLSA-N	300.156	1.389	50	20	DDGD	
CCOc1cccc(CCC(=O)NNc2nccnc2OC)c1	862003033	DYZBKGDZKZMMDN-UHFFFAOYSA-N	316.361	1.960	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)CNc1cccc(OC)c1)C1CC1	863854855	DDMWIKFVNXBWPM-HNNXBMFYSA-N	321.377	1.070	50	20	DDGD	
Cc1cccc2sc(NNC(=O)NCC(=O)N(C)C)nc12	867984845	UKPDHHNNMNESOA-UHFFFAOYSA-N	307.379	1.319	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C)c1nc(C(F)(F)F)no1	862032006	WPLQWOWENPMWSM-LUFONEFESA-N	304.228	1.710	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)c2cc(Cl)cc(Cl)c2)N1	862449035	KMZJUBHEYOGFMP-VIFPVBQESA-N	316.144	1.033	50	20	DDGD	
CC[C@@](C)(O)C(=O)NNC(=O)c1cccc(OC(F)F)c1	931890451	TUBMMDIGXWZDHV-CYBMUJFWSA-N	302.277	1.210	50	20	DDGD	
Cc1nnc(N2CCN(C[C@H](C)CBr)CC2)n1C	879192503	MZHRWYJZPOEWSM-SNVBAGLBSA-N	316.247	1.277	50	20	DDGD	
COc1cccc(C(C)(C)C(=O)NNC(=O)[C@H]2CCCCO2)c1	868619429	NATCWBKICHAKFS-CQSZACIVSA-N	320.389	1.689	50	20	DDGD	
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccnn1C	766026072	RDBJDKDNXDJRRV-UHFFFAOYSA-N	303.278	1.188	50	20	DDGD	
Cc1ccc(CO[C@@H](C)C(=O)NNc2ncncc2F)cc1	861817521	NTTDYTSEWZTEGR-NSHDSACASA-N	304.325	1.973	50	20	DDGD	
Cn1nc(C(=O)NNC(=S)NCC2CCC2)c2ccccc21	862150830	ZDKXODGTHNXILU-UHFFFAOYSA-N	317.418	1.482	50	20	DDGD	
COc1cc(NCc2ccc(B(O)O)cc2)cc(-n2cccn2)c1	864036328	YEEKFDAMINPEEG-UHFFFAOYSA-N	323.161	1.173	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2c(F)cccc2N2CCCC2)N1	863144773	ADSKEJJXSIJOPB-CYBMUJFWSA-N	318.352	1.155	50	20	DDGD	
Cc1cc(C)c(NC(=O)C(=O)NNC(=O)C2CC2)c(Cl)c1	763561976	JTXGAASHWGGYOP-UHFFFAOYSA-N	309.753	1.453	50	20	DDGD	
CCC[C@H](CC)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	873419791	BDVVPZJKEBKRDW-NEPJUHHUSA-N	300.399	1.938	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2c[nH]cc2C2CC2)n1	877998467	VJXFRZWRCMERDI-UHFFFAOYSA-N	301.350	1.167	50	20	DDGD	
C[C@@H]1Oc2ccc(NC(=O)NNc3cnccn3)cc2NC1=O	769942232	HXXBIQCTCTYAQR-QMMMGPOBSA-N	314.305	1.345	50	20	DDGD	
O=C(NCC(F)(F)F)NN=C1CCCc2nc(O)ccc21	764684590	XTZFRVQFZCXLBD-UHFFFAOYSA-N	302.256	1.689	50	20	DDGD	
O=C(CCSc1ccc(F)cc1)NNC(=O)NCC(F)F	879759569	RIUNJUBNDWZVKQ-UHFFFAOYSA-N	321.324	1.903	50	20	DDGD	
COC(=O)c1cc(C(=O)NNC(=O)CC(C)(C)C)ccc1C	878716989	RGDXHTJNJMJCDI-UHFFFAOYSA-N	306.362	1.979	50	20	DDGD	
CC(C)(O)CC(=O)NNC(=S)Nc1cccc(Cl)c1	873787269	ZAKPVSFHISVDCO-UHFFFAOYSA-N	301.799	1.819	50	20	DDGD	
CC[C@H](NS(=O)(=O)CBr)C(=O)c1ccccc1	872516450	VYFAAWJRFQVEIU-JTQLQIEISA-N	320.208	1.920	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)C2[C@@H]3CCC[C@@H]23)c1	776703175	VBCLTNQQHNTNGN-CHWSQXEVSA-N	316.357	1.345	50	20	DDGD	
CC(C)C[C@H]1OCCC[C@@H]1NS(=O)(=O)CBr	774899340	MFBIMRNCECBFKH-VHSXEESVSA-N	314.245	1.852	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNC(=S)Nc1ccc(C)cc1C	873760121	NDHYESAOZJSUBY-GFCCVEGCSA-N	322.434	1.536	50	20	DDGD	
C#CCCOc1ccc(C(=O)NNC(=S)NC(C)C)cc1	1117778282	QUNBKDCXWQAXCH-UHFFFAOYSA-N	305.403	1.606	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1	1116686920	QYYYCGAQQTXNMK-GHMZBOCLSA-N	313.398	1.485	50	20	DDGD	
COc1ncncc1NC(=O)NNc1cccc([N+](=O)[O-])c1	770067898	AQSSZPTUVIYVCI-UHFFFAOYSA-N	304.266	1.542	50	20	DDGD	
CC(C)C(=O)NNC(=O)Cc1cccc(OCC(F)(F)F)c1	770132123	VMMMJKPCFHELQL-UHFFFAOYSA-N	318.295	1.974	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2O[C@H]3C=C[C@H]2CC3)cc1	879802790	WFTAHRKEGVKPFE-KBPBESRZSA-N	301.346	1.090	50	20	DDGD	
COc1cccc(NC(=S)NNC(=O)c2ccnnc2)c1	1117986278	LTIJJWZLCSVZKJ-UHFFFAOYSA-N	303.347	1.117	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CC#N)cc1Br	772966738	HXSHGKUZJVEREO-UHFFFAOYSA-N	312.123	1.132	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1ccccc1C(=O)OC	777772402	WFTBGPXWZXNVQM-NSHDSACASA-N	310.350	1.358	50	20	DDGD	
Cc1ncc(NC(=O)C(=O)NNc2c(F)cccc2F)cn1	773706118	VWNXCXFBAYSYTA-UHFFFAOYSA-N	307.260	1.145	50	20	DDGD	
O=C(NC[C@H]1COC2(CCCCC2)O1)NNc1ccc(F)cn1	775760599	INJTWRFDFBTMPR-LBPRGKRZSA-N	324.356	1.923	50	20	DDGD	
O=S(=O)(CCCCl)N(CCO)C1CCSCC1	882243069	ZBLBNYDPIXEOLW-UHFFFAOYSA-N	301.861	1.135	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NNc1ccc(Cl)cc1F	885109952	JWNNCJMVYALPBW-UHFFFAOYSA-N	308.762	1.747	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)c1cccc(OC)c1	772040684	DBRZRBQYICGCDL-QWRGUYRKSA-N	322.361	1.288	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCCc2ccccc21	771974700	ONRGLLKNMPWLRH-SMDDNHRTSA-N	318.373	1.596	50	20	DDGD	
Cc1cc(O)cc(=O)n1CCC(=O)NNc1cccc(F)c1	783679409	JAGXNWIBFBFHIG-UHFFFAOYSA-N	305.309	1.535	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@H](C)c2cnn(C)c2)cc1O	882051068	MCHDJKWFZAGRME-NSHDSACASA-N	316.361	1.389	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CN2CCC[C@H](CF)C2)c1	880234257	DUJWPGYEPMNFDH-CYBMUJFWSA-N	318.352	1.001	50	20	DDGD	
O=C(CCc1ccccc1)NNc1ccc(-n2ccnc2)nn1	788180995	IMDNUJTWBLWTFU-UHFFFAOYSA-N	308.345	1.738	50	20	DDGD	
CCCCCS(=O)(=O)CC(=O)NNc1ncncc1Cl	781814474	NRIIQNHEOOSDGS-UHFFFAOYSA-N	320.802	1.178	50	20	DDGD	
C[C@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)CCCCl	881922967	XMFNNVFDKRFUKP-DGCLKSJQSA-N	305.827	1.699	50	20	DDGD	
NC(=O)[C@@H]1c2ccccc2CCN1S(=O)(=O)CCCCl	881870769	ZMWCVZDXQRALGQ-LBPRGKRZSA-N	316.810	1.030	50	20	DDGD	
O=C(NN=Cc1cc2ccccc2[nH]1)[C@H]1CCS(=O)(=O)C1	788422900	YPTSBLCCALNNFP-NSHDSACASA-N	305.359	1.053	50	20	DDGD	
CN(NC(=O)C(=O)Nc1ccc2c(c1)ncn2C)c1ccccc1	783431690	KFJZYUWVSGKBNP-UHFFFAOYSA-N	323.356	1.679	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1CCC(=O)c2ccccc21	785683498	CLBOFDVTBUBDAL-LBPRGKRZSA-N	303.387	1.428	50	20	DDGD	
CCOC(=O)N(C)CCCC(=O)NNc1ncncc1Cl	897499047	GKGGPGPHGYGSIV-UHFFFAOYSA-N	315.761	1.442	50	20	DDGD	
COCCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)COC)o1	899341573	DAQDJARAJLJTSR-SERMCNLOSA-N	308.334	1.363	50	20	DDGD	
Cc1cc(C)c(NNC(=O)C(=O)Nc2cnn(C)c2C)c(C)c1	783366643	CZJPQLMWEFBXJR-UHFFFAOYSA-N	315.377	1.736	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C[C@H](O)c2cccc(F)c2)n1	794087813	RZXCCOCIWFZHCY-AWEZNQCLSA-N	317.320	1.414	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@H]1Cc2ccccc2S1	791240266	ZUEWLEXNUMNCIM-GFCCVEGCSA-N	311.370	1.889	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(C#N)o2)c1	794210080	GLPHVAIBKBZKHW-UHFFFAOYSA-N	313.313	1.608	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cc(F)ccc1-n1cccn1	793075973	IRCATKLFHQCZTM-UHFFFAOYSA-N	304.325	1.819	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)[C@H]1CCC(F)(F)C1	795148373	LLCICMZYCWHKJC-JTQLQIEISA-N	322.315	1.460	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@@H]1COc2ccccc2O1	791249891	ZCWZVGDNEYKTIO-LBPRGKRZSA-N	311.301	1.012	50	20	DDGD	
C=C[C@H](NNC(=O)[C@@H](C)Oc1cccc(C)c1C)C(=O)OC	799975656	MMCLEQXVKJEAJD-OLZOCXBDSA-N	306.362	1.419	50	20	DDGD	
COc1cc(NNC(=O)CN(C)C(=O)C2CC2)ccc1Cl	790179894	BPMPGPKWEONIHN-UHFFFAOYSA-N	311.769	1.660	50	20	DDGD	
CSSCCNC(=O)NC[C@H](C)CN1CCOCC1	790769337	CWXMIUJMRQRODI-NSHDSACASA-N	307.485	1.265	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1ccc(O)c(Cl)c1	790173992	LMWNJRGNLJMGRB-UHFFFAOYSA-N	310.785	1.727	50	20	DDGD	
CCOC(=O)[C@@H](NNC(=O)c1cccc(C)n1)c1ccccc1	795470220	ZZMJHXVIOWGKPO-HNNXBMFYSA-N	313.357	1.929	50	20	DDGD	
C=C(CBr)COC(=O)c1ccn(CCOC)n1	795602771	VIUUSIYKRTZLCG-UHFFFAOYSA-N	303.156	1.637	50	20	DDGD	
C[S@@](=O)c1ccc(CC(=O)NNc2ccnc(F)c2)cc1	797976936	BVGYNTJPIXVIBX-OAQYLSRUSA-N	307.350	1.644	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1)[C@H](C)O	790070319	NWQQUUBKCGNWMU-KWBADKCTSA-N	312.341	1.147	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCCC[C@H]1c1cc[nH]n1	796194680	NZRFJMUVUMIWQO-LBPRGKRZSA-N	307.398	1.130	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(Oc2ccccc2)cn1	799410880	DIUIVIPNVOPGAF-UHFFFAOYSA-N	300.318	1.838	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C2(c3cccc(C#N)c3)CC2)n1	1319315559	NAYVWSSBYOANKB-UHFFFAOYSA-N	323.356	1.840	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1321072892	XSSJPUUVUFMPBX-NOZJJQNGSA-N	308.382	1.111	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H]1CCC[C@H](F)C1	1326732054	DOZVMMHMNZAFCO-QWRGUYRKSA-N	309.341	1.920	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNc1ccc(C(C)(C)C)nn1	1322977822	DOMNMXNCMPFNMB-UHFFFAOYSA-N	301.350	1.439	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@]1(F)CCOC1	1327375712	KDNIOJONMPKWPJ-GFCCVEGCSA-N	302.737	1.825	50	20	DDGD	
CN(C)[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)CC(F)(F)F	1321745002	WUSILXVWWANPIA-DTWKUNHWSA-N	310.320	1.142	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)C1CCNCC1)C1CCCC1	1328713749	MIONFUJMYUKCEV-UHFFFAOYSA-N	310.442	1.533	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)Nc1cc2c(cn1)CCCC2	1325287387	RBEQAGUUSDLDBM-UHFFFAOYSA-N	317.393	1.113	50	20	DDGD	
COC(=O)C(=O)NN=Cc1cc(Br)ccc1F	1322287266	XFMCMLPDFAQTRB-UHFFFAOYSA-N	303.087	1.211	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2cncn2-c2ccccc2)CCOC1	1254675871	PVVVHXICMAOUKB-MRXNPFEDSA-N	314.345	1.060	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])C(=O)c1ccc(O)cc1	1322982665	ZNZUZNLVSWNERB-UHFFFAOYSA-N	302.246	1.021	50	20	DDGD	
CN1CCC[C@@H](c2cccc(C(=O)NNc3ccn(C)n3)c2)C1	1331965476	UGVRHSSAEUVTPB-OAHLLOKOSA-N	313.405	1.986	50	20	DDGD	
Cc1nnccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1	1340042627	IHTXKISISRTAGR-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
COc1cccc(OC)c1CC(=O)NNC(=S)NC(C)C	1340237270	PQZBHKHPDVBJGC-UHFFFAOYSA-N	311.407	1.150	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2Cc3cccnc3NC2=O)C[C@H]1Br	1352671723	RPGNKHDIEQHBFP-KKFJDGPESA-N	324.178	1.235	50	20	DDGD	
C[C@H](NC(=O)[C@H](Br)C(C)(C)C)c1nnnn1C	1514767928	LRQMMJBEXOWOLJ-BQBZGAKWSA-N	304.192	1.197	50	20	DDGD	
CCCNC(=O)NNC(=O)c1nn(CC)cc1Br	1527499849	OCKDSKSVJWZSRJ-UHFFFAOYSA-N	318.175	1.020	50	20	DDGD	
CN(C)N(C(=O)c1coc(C#N)c1)c1nc(CC(=O)O)cs1	1606036917	HPTKXACQBNXILV-UHFFFAOYSA-N	320.330	1.358	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNc2ccc(C(=O)O)cc2F)CCC1=O	1609840969	VAHIINVRVYENQQ-BDAKNGLRSA-N	308.309	1.972	50	20	DDGD	
Cc1c(NNC(=O)c2nn(C)cc2[N+](=O)[O-])cccc1C(=O)O	1600055441	SXEVXTCHMCFVNU-UHFFFAOYSA-N	319.277	1.092	50	20	DDGD	
C[C@H](Sc1ccccc1C(=O)NNc1ccncn1)C(=O)O	1604456068	RWNPGGJTDKDSJX-VIFPVBQESA-N	318.358	1.799	50	20	DDGD	
Cc1ccc(NNC(=O)CN2CCSC2=O)cc1C(=O)O	1600462958	SXDWCWFZYSXMGB-UHFFFAOYSA-N	309.347	1.305	50	20	DDGD	
Cc1c(NNC(=O)CCc2ccnn2C)cccc1C(=O)O	1600052210	DXQCOQOALBABNX-UHFFFAOYSA-N	302.334	1.503	50	20	DDGD	
O=C(CCl)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F	1606535524	UAXXWDUOEANXGS-UHFFFAOYSA-N	303.656	1.645	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)CC(F)(F)F)cccc1C(=O)O	1600043968	DQVPHUWBDLSWGV-UHFFFAOYSA-N	319.239	1.798	50	20	DDGD	
O=C(Cc1ccccc1C(=O)O)NNC(=S)NCC1CCC1	1601368497	RLZIHSUTKPORNA-UHFFFAOYSA-N	321.402	1.223	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@H]1CCC(=O)[C@H](C)C1	1607140760	ZJLQJVAHQPUFHL-NXEZZACHSA-N	320.345	1.842	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)N[C@H]1CCCC12OCCO2	1608483616	SQSXZDJCUHVEAK-LBPRGKRZSA-N	321.333	1.307	50	20	DDGD	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)NN=c1sc2ccccc2n1C	1605035031	UOKJKVGENHLIOX-CLAHSXSESA-N	305.359	1.283	50	20	DDGD	
O=C(NN=Cc1cc(C(=O)O)c2n1CCCC2)c1ccoc1	1601553026	RHJIQQIXPOZECE-UHFFFAOYSA-N	301.302	1.880	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cn(CC3CC3)nn2)c1	1610848584	MGBZPQAZESKYPF-UHFFFAOYSA-N	301.306	1.143	50	20	DDGD	
CC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)=O)C2	1800070146	ZNGOBKODWDMEMH-USZNOCQGSA-N	300.786	1.231	50	20	DDGD	
Cc1c(NNC(=O)c2ccnc(C(=O)O)c2)cccc1[N+](=O)[O-]	1610426838	FXICBUBRPCCVDH-UHFFFAOYSA-N	316.273	1.753	50	20	DDGD	
CCCCNC(=O)NN=C[C@H]1CCCO[C@H]1c1cnn(C)c1	1552447322	RKEJJBDYODEAHK-TZMCWYRMSA-N	307.398	1.973	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H](CCNC(=O)NN)Cc1ccccc1	1575208580	NTBJUBQFVBFXBO-ZDUSSCGKSA-N	322.409	1.685	50	20	DDGD	
CC(C)[C@@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](F)Cl	1847830098	DOMXUYRKTKBDBJ-MMWGEVLESA-N	322.833	1.677	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](C)OC)C2	1841670605	INULDSHLVBAOCE-VXGBXAGGSA-N	316.829	1.632	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C(=O)O)C1(c2ccccc2)CCCC1	1593102834	XRTXWFWMBHFGHX-LLVKDONJSA-N	319.361	1.302	50	20	DDGD	
CN(NC(=O)c1ccc(/C=C\C(=O)O)o1)C(=O)OC(C)(C)C	1598541684	PXHAMEDRJYXPNQ-VURMDHGXSA-N	310.306	1.889	50	20	DDGD	
C[C@]1(CNc2ncncc2-c2nn[nH]n2)C[C@@H]1Br	1590135018	GRXQDBJJJPFPNY-OIBJUYFYSA-N	310.159	1.242	50	20	DDGD	
COc1cc(C=NNC(=O)C2CCCC2)ccc1-c1nn[nH]n1	1591522193	CTFLDLJNMDJIJL-UHFFFAOYSA-N	314.349	1.516	50	20	DDGD	
CCc1[nH]c(C(=O)NNC(=O)c2cccnc2)c(C)c1C(=O)O	1597386614	YANKDWUZTWEXLT-UHFFFAOYSA-N	316.317	1.054	50	20	DDGD	
C[C@H]1CCNC[C@H]1NC(=O)NNc1ccc(C(=O)O)c(F)c1	1594438903	ISTAXJPONKBLAO-QPUJVOFHSA-N	310.329	1.148	50	20	DDGD	
Cc1c(C#N)cccc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1591800063	UEMKMVFCFSUDDY-UHFFFAOYSA-N	319.328	1.804	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc(C(=O)O)c1OC	1594866039	NFPWSLSYXQNHFG-QMMMGPOBSA-N	309.322	1.592	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NN=Cc1cccc(C(=O)O)c1	1776098341	HQKYMBWVTPTHEY-CYBMUJFWSA-N	303.362	1.708	50	20	DDGD	
N#Cc1ccc(C(=O)O)c(C=NNC(=O)C2CCOCC2)c1	1776102962	HWRHBBKXGBOMIN-UHFFFAOYSA-N	301.302	1.133	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1cccc(C(=O)O)c1F	1776129788	WHXKEWSNAZNWTC-FLIBITNWSA-N	306.293	1.584	50	20	DDGD	
CC(=NNC(=O)c1cc[nH]n1)c1cccc(OCC(=O)O)c1	1776091738	FCEDRJXDGGMLCM-UHFFFAOYSA-N	302.290	1.027	50	20	DDGD	
COc1ccc(C)c(C=NNC(=O)c2cc[nH]n2)c1C(=O)O	1776092086	WODDLEJXSXDTER-UHFFFAOYSA-N	302.290	1.189	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cc(Cl)ncc1C(=O)O	1776082366	LZITWLTZPIALET-IONNQARKSA-N	311.725	1.308	50	20	DDGD	
C/C=C/C(=O)N1CC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2	1783064523	KCMCFBGXHVIVBS-YWVDXFKGSA-N	321.204	1.196	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@H]1CCCOc2ccccc21	158706054	ZXIUJRYOZBJMCH-LBPRGKRZSA-N	314.345	1.873	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](C)c1cccc(F)c1F	165838995	UAIPPSDRTDDMHF-MRVPVSSYSA-N	301.293	1.393	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1c(F)cc(C#N)cc1F	151560483	RRKAJLPSBNDWDQ-UHFFFAOYSA-N	304.256	1.250	50	20	DDGD	
C[C@H](C(=O)NNc1nc(C(F)(F)F)cs1)S(C)(=O)=O	152974777	URDKSSFDADWSBD-SCSAIBSYSA-N	317.314	1.038	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2csc(-c3ccco3)n2)[nH]n1	153224300	AWAXTXZOADOAEE-UHFFFAOYSA-N	317.330	1.509	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	153695899	GFKALYJJZZJIHR-LLVKDONJSA-N	308.382	1.720	50	20	DDGD	
CCc1cccc(NC(=O)CNC(=O)NNC(=O)C(C)(C)C)c1	155157791	UYKZPIXSMLYOAS-UHFFFAOYSA-N	320.393	1.564	50	20	DDGD	
CCCCCOCC(=O)NNc1nccc(N(CC)CC)n1	155713002	SNKGZWNMNSWWEA-UHFFFAOYSA-N	309.414	1.973	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)N1CCC2(CCC2)C1	154092254	VWFISYGKYXIGIK-UHFFFAOYSA-N	317.389	1.820	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccnc(-n2cccn2)c1	156735681	MRMPHLNJILFFND-UHFFFAOYSA-N	318.406	1.175	50	20	DDGD	
CC(C)(C)OC(=O)NNS(=O)(=O)c1ccc(F)c(F)c1	7405452	HMECYPSRNSESPQ-UHFFFAOYSA-N	308.306	1.683	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNC(=O)COc1ccc(C)c(C)c1	7697831	MUTQVLMUPIQPOV-UKTHLTGXSA-N	317.345	1.274	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1	21771755	GHANZLUZWKHJBI-QMMMGPOBSA-N	313.335	1.853	50	20	DDGD	
O=C(CC1CCOCC1)NNC(=O)c1c[nH]c2ccccc12	117232546	XUWOSTHMLIFMBV-UHFFFAOYSA-N	301.346	1.746	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCc1cccc(Cl)c1	103504648	NJJHJGSRCYBMJH-UHFFFAOYSA-N	318.764	1.808	50	20	DDGD	
O=C(NNc1ccnc2ccccc12)[C@H]1CCS(=O)(=O)C1	106925724	DNGOQYWLRFSWIQ-JTQLQIEISA-N	305.359	1.113	50	20	DDGD	
COCCCC(=O)NNC(=O)c1cc2ccccc2cc1O	50170389	SKEKOAZXYFYFNA-UHFFFAOYSA-N	302.330	1.733	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCO2)NNC(=O)NCC(F)(F)F	60411672	HYJNYSIQONXXKJ-UHFFFAOYSA-N	317.267	1.057	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1	119056680	GJHQERCFIGDTRZ-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
C[C@@H]1CN(CCC(=O)NNC(=O)C2CCCCC2)C[C@@H](C)O1	68194797	OCRYJZIYIZWIKR-CHWSQXEVSA-N	311.426	1.213	50	20	DDGD	
O=C1O[C@@H](C(=O)NNc2ccc(Cl)nn2)Cc2ccccc21	118502552	WDQYNJHPIBLUNY-SNVBAGLBSA-N	318.720	1.355	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(CN(C)C)cc2)o1	176211889	CXZQHHVRHHARNK-UHFFFAOYSA-N	301.346	1.724	50	20	DDGD	
Cc1sc(=O)n(CC(=O)NNc2ncccc2Cl)c1C	114884830	RLSKSSADRXEEMR-UHFFFAOYSA-N	312.782	1.718	50	20	DDGD	
CCc1noc(C)c1C(=O)NNC(=O)NCCc1cccs1	65202640	SRIFJXIKINZWLC-UHFFFAOYSA-N	322.390	1.794	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1oc2ccc(F)cc2c1C	65207116	WHSBYNJUUSWIBF-UHFFFAOYSA-N	323.324	1.861	50	20	DDGD	
C[C@H](Oc1cccc(F)c1)C(=O)NNC(=O)c1ccccc1O	24655289	QPVQYAWEEPXDNY-JTQLQIEISA-N	318.304	1.760	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)Cc2cccnc2)s1	171510912	PKWKUPVTIDJMSQ-UHFFFAOYSA-N	318.402	1.803	50	20	DDGD	
O=C1N[C@H]2CN(C[C@H](CBr)C3CC3)CC[C@@H]2CO1	1351407479	JDOXKUZWRUKVSH-WOPDTQHZSA-N	317.227	1.838	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(OCC(F)F)nc1	125166582	GILMMDVERSXDHV-UHFFFAOYSA-N	302.281	1.080	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCC[C@H]2CCO)s1	188380451	UXIKPYPXDAPIEV-QWRGUYRKSA-N	311.407	1.552	50	20	DDGD	
O=C(NNC(=O)c1cccc(Br)n1)c1ccncc1	123079023	DEBOEEWNZWYUCA-UHFFFAOYSA-N	321.134	1.314	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)c1occc1C	31488769	JHLNJLXKFVSVRG-UHFFFAOYSA-N	318.329	1.827	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc2cnccc12	124638288	BXIJPVSIXKIHRT-JTQLQIEISA-N	314.345	1.367	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2coc(C)n2)c1	188054702	DRYSGTMDKYQHDC-UHFFFAOYSA-N	303.318	1.440	50	20	DDGD	
COc1ccnc(NNC(=O)CCc2cccc(N(C)C)c2)n1	189051453	PNYFOORQSVSEGA-UHFFFAOYSA-N	315.377	1.627	50	20	DDGD	
Cc1nnc(NC(=O)NNC(=O)Cc2ccccc2F)s1	182900239	GUKMIVUOJJURIV-UHFFFAOYSA-N	309.326	1.381	50	20	DDGD	
Cc1ccc(NC(=O)NNc2ccncc2)cc1-n1cnnn1	183067226	KTRYGSLZFFHDCO-UHFFFAOYSA-N	310.321	1.514	50	20	DDGD	
Cn1nc(C(=O)NNc2ccnc(F)c2)cc1OC(F)F	185114084	FRJNDWCWSYNFPQ-UHFFFAOYSA-N	301.228	1.313	50	20	DDGD	
CN(C)C(=O)O[C@@H]1CCN(S(=O)(=O)CCCCCl)C1	495918841	GWEMHXMAJDZSCJ-SNVBAGLBSA-N	312.819	1.108	50	20	DDGD	
CC(=O)NNC(=O)Nc1cc(C)n(-c2cc(C)cc(C)c2)n1	121437721	RRHGHSSYKVUZPD-UHFFFAOYSA-N	301.350	1.970	50	20	DDGD	
COCCN(C)C(=O)/C(C#N)=C\c1cc(C)n(CCOC)c1C	125262435	UNHDCTYCKXGMDR-WJDWOHSUSA-N	319.405	1.763	50	20	DDGD	
CC[C@H](CCO)NS(=O)(=O)c1ccc(CCCl)cc1	158872102	JQBOJTWWPNTSSS-GFCCVEGCSA-N	305.827	1.907	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNC(=O)c2cc(C)n[nH]2)cc1	186355241	VTFMVQAQIZRCAU-UHFFFAOYSA-N	301.306	1.387	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)c1ccc[nH]1	186387980	IRJYQMWTBWUKHZ-UHFFFAOYSA-N	303.278	1.698	50	20	DDGD	
CCOC(=O)N[C@@H](C(=O)NNc1cccnc1Cl)C(C)C	85686384	RGBVOFRXZUBPRQ-SNVBAGLBSA-N	314.773	1.949	50	20	DDGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)c1nnnn1C1CC1	194899221	SEFDMXHFDQTXDJ-BKLZJWBFSA-N	324.344	1.498	50	20	DDGD	
CC(C)(C)c1ncsc1C(=O)NNC(=O)Cc1ccncc1	81026823	KKBLZGBHTPAHFW-UHFFFAOYSA-N	318.402	1.839	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[nH]n1	139557856	KJJJETFTNLGUKL-UHFFFAOYSA-N	323.696	1.355	50	20	DDGD	
COCCC1(C(=O)NNC(=O)Cn2ccc3ccccc32)CC1	132838932	AHRYLPDKTLERKR-UHFFFAOYSA-N	315.373	1.605	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNC(=O)c1ccccc1O	88252282	BQQBPKIKIYDHES-UHFFFAOYSA-N	317.345	1.509	50	20	DDGD	
CCC1=C(C(=O)NNC(=O)c2ccccc2OC)CCCO1	191537534	XZNZSSFMDSVRFZ-UHFFFAOYSA-N	304.346	1.931	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccccc1OC(F)(F)F	190055712	PCYDKVMYOXMPSI-UHFFFAOYSA-N	306.240	1.117	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCc1cccc(Cl)c1	83153346	STWMBECBHSAPEP-UHFFFAOYSA-N	318.764	1.808	50	20	DDGD	
O=C(Cc1ccc(F)c(F)c1)NNC(=O)NCC(F)(F)F	88255064	RTYILEOHPXGJCL-UHFFFAOYSA-N	311.210	1.400	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2ccc3c(c2)CCO3)c1	190042967	ISKVOKRPTFFSLP-UHFFFAOYSA-N	312.329	1.407	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1Br)[C@H]1CCNC1	237708106	HOPPIKFYWCPGJS-LURJTMIESA-N	320.137	1.780	50	20	DDGD	
COc1ccc(C(=O)NN=c2sc3ccccc3n2C)nn1	255697006	LAPXCVPHWXECGV-UHFFFAOYSA-N	315.358	1.284	50	20	DDGD	
COCC(=O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1	252627498	RVOZIJBUXQQTJQ-UHFFFAOYSA-N	303.274	1.951	50	20	DDGD	
CCCN(CC)CCNC(=O)NNC(=O)c1ccccc1F	266991476	XMZMIOUFSULESU-UHFFFAOYSA-N	310.373	1.502	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccn(C)c2)c1	268568309	HJVLWJVKKPDQSF-UHFFFAOYSA-N	301.346	1.482	50	20	DDGD	
CCC(=O)N1CCCN(C(=O)NCCSSC)CC1	367562248	IXNZNTRDEAHEAX-UHFFFAOYSA-N	305.469	1.652	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H](C(=O)NNc1cccc(F)n1)C2	367356751	PQZCSNDCDNGTCS-NSHDSACASA-N	317.320	1.924	50	20	DDGD	
Cc1cccc(C(=O)NNc2nnc(-c3ccccn3)s2)n1	364537160	OCWRVPIYPSKZPE-UHFFFAOYSA-N	312.358	2.060	50	20	DDGD	
COC(=O)NNC(=O)Nc1noc(-c2ccccc2F)c1C	365532569	JMXADFIUUHQEPX-UHFFFAOYSA-N	308.269	2.182	50	20	DDGD	
CCNC(=O)N(C)NC(=O)/C=C/c1ccc(OC)c(OC)c1	272713674	YIPBJCJXNQFSNU-VQHVLOKHSA-N	307.350	1.410	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1COc2cc(OC)ccc2C1	271167420	XIYFOOMQCDVGLN-SRXBQZRASA-N	302.330	1.559	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@@]2(C)CCCOC2)cc1	272641053	CNVPRBJDRWSFOK-INIZCTEOSA-N	321.377	1.071	50	20	DDGD	
COC(=O)NNC(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1	367576719	AJKYRAIZPPQKFC-ZDUSSCGKSA-N	311.725	1.610	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccn1	279743599	NTUBLXXLQBMKHL-JTQLQIEISA-N	322.365	1.064	50	20	DDGD	
Cc1cc(C2CCN(S(=O)(=O)CBr)CC2)[nH]n1	273817612	CCLBDINYAIAOLZ-UHFFFAOYSA-N	322.228	1.580	50	20	DDGD	
CCCCc1ccc(NC(=O)C(=O)NNC(=O)CC2CC2)cc1	274067671	NFIIFPGCLDWMDU-UHFFFAOYSA-N	317.389	1.915	50	20	DDGD	
CSc1cccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)c1C	273667887	HIZWCTNKFKLILX-UHFFFAOYSA-N	323.418	1.849	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C[C@](C)(O)C2CC2)cc1	270492973	UZFFZMNFEPGHAF-KRWDZBQOSA-N	320.389	1.326	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)COc2ccc(F)cc2)CCCOC1	272644439	OHGSWKVBCPVEMZ-OAHLLOKOSA-N	310.325	1.169	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H]2CCCOC2)c1	272667616	OMIBADOGOJBRDZ-NSHDSACASA-N	307.350	1.526	50	20	DDGD	
CC(C)(C#N)CC(=O)NNC(=S)NCCc1cccs1	278795252	MYXTXFGDQDRLGT-UHFFFAOYSA-N	310.448	1.726	50	20	DDGD	
COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NNC(=O)NC2CC2)c1	276281256	PKQHNINNYPXIKJ-YPMHNXCESA-N	319.361	1.300	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)[C@H]1CC12CCOCC2	370076254	FDPUUEQZVGELKJ-OAHLLOKOSA-N	316.401	1.973	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NC2CCCC2)cnn1CC(C)C	271137509	UKWMNGHXUXVPBN-UHFFFAOYSA-N	307.398	1.734	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N[C@H](C)[C@H]2CCCCO2)c(C)o1	271989295	LLYBONALHWAXKY-ZWNOBZJWSA-N	309.366	1.798	50	20	DDGD	
CSCC(C)(C)C(=O)NNc1nc2ccccc2c(=O)n1C	282887485	WAZWHJMMHPVPQC-UHFFFAOYSA-N	320.418	1.766	50	20	DDGD	
CSSCCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O	286593054	XELYAUZDQTXWOT-UHFFFAOYSA-N	323.421	1.665	50	20	DDGD	
CCc1onc(C)c1NC(=O)NNC(=O)c1cccc(C)n1	280726166	DEXKWLDAZJILQO-UHFFFAOYSA-N	303.322	1.715	50	20	DDGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NNC(=O)Nc1ccccc1	289132086	VIXHUJOOFPUNJA-GWCFXTLKSA-N	306.366	1.390	50	20	DDGD	
C[C@H]1COCC[C@@H]1CNC(=O)NNC(=O)c1ccc(C#N)cc1	288354490	YFIXKRMQJURPLM-SMDDNHRTSA-N	316.361	1.175	50	20	DDGD	
CO[C@@H](Cc1ccccc1)C(=O)NNC(=O)NCC(F)(F)F	296048397	BYGHJNDNIRUQAP-JTQLQIEISA-N	319.283	1.137	50	20	DDGD	
COc1ccc(C2(C(=O)NNC(=O)N(C)C)CCCC2)cc1	299389207	RGFNYQHCWUAHHQ-UHFFFAOYSA-N	305.378	1.809	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cnc2c(F)ccc(F)c2c1	293971742	KJBTZMHJNPLEAX-LBPRGKRZSA-N	321.283	1.453	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N[C@H](CO)C2CCCC2)cc1	290791418	OCOVWFZJPFJNLM-CQSZACIVSA-N	316.361	1.053	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC2CC2)c2cnn(C(C)C)c2n1	294021902	CFLOFNIXVZWWTF-UHFFFAOYSA-N	315.377	1.882	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1ccc2oc(O)nc2c1	806882136	OYTLSGMUOOQWIS-UHFFFAOYSA-N	305.681	1.734	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(F)c(F)cc1F	295652027	VAAAZEIZNYSJQT-NSHDSACASA-N	302.252	1.434	50	20	DDGD	
CC(C)(C)OC(=O)NCC(C)(C)C(=O)NNc1ccncn1	295350283	CBJBCBQUYCGPSR-UHFFFAOYSA-N	309.370	1.471	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCn1ccnc1C	299685489	YWZOODCIFBDPPZ-UHFFFAOYSA-N	301.350	1.144	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CCc2cnn(C)c2)cc1	802051814	DTNJVYYDSKIYDZ-UHFFFAOYSA-N	317.349	1.214	50	20	DDGD	
CCCCCOCC(=O)NNC(=O)COc1ccc(C#N)cc1	299400948	XNQSPQXFXNWFPZ-UHFFFAOYSA-N	319.361	1.291	50	20	DDGD	
COCCCn1nccc1C=NNC(=O)NCC(F)(F)F	802710400	VQHJILBMIWKFSV-UHFFFAOYSA-N	307.276	1.115	50	20	DDGD	
CN1C[C@@H](C(=O)NNc2cc(C(F)(F)F)ccn2)CC1=O	295360584	NWUOBCWUDGOWRM-ZETCQYMHSA-N	302.256	1.022	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CC[C@@H](CC(=O)O)[C@H]1C	814864738	HXKVXTWPKLRCHP-MXWKQRLJSA-N	300.355	1.031	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1ccc2sccc2c1	812490532	VSPSEFHWAKRZBR-UHFFFAOYSA-N	307.375	1.768	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CC2CC2)cc2c1O[C@H](C)C2	819104035	GOWWBEZESGHARK-SECBINFHSA-N	304.346	1.580	50	20	DDGD	
C=C(C)C(C)(C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	819002718	OCSATURGTJXZKP-ZDUSSCGKSA-N	304.346	1.576	50	20	DDGD	
CC(C)n1cncc1C=NNC(=O)Cc1cn2ccccc2n1	819808746	SQEJSWKQRNIJFQ-UHFFFAOYSA-N	310.361	1.805	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)C[C@@H]1CCCN1C	817491949	UXEYQLLAOOBRDB-ZDUSSCGKSA-N	312.845	1.905	50	20	DDGD	
CCNC(=O)NN=C(CC)c1ccccc1OCC(=O)N(C)C	814817886	XZERJJWBMSTBGF-UHFFFAOYSA-N	320.393	1.587	50	20	DDGD	
Cc1cn(-c2c(F)cccc2F)nc1C(=O)NN(C)[C@H](C)CO	823935372	QMUFCQNGRFPRQR-SNVBAGLBSA-N	324.331	1.416	50	20	DDGD	
C[C@@H]1CCC[C@]1(C)C(=O)NNc1nc(O)c2cnn(C)c2n1	823325645	DTGQDVGQGDFOFR-CLAHSXSESA-N	304.354	1.338	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCc2cccc(O)n2)cc(C#N)n1C	490810533	AKZQUCNAHABQDD-AWNIVKPZSA-N	321.340	1.529	50	20	DDGD	
CS/C=C/C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	821956300	LUPZISVGBMEWRT-SNAWJCMRSA-N	309.355	1.298	50	20	DDGD	
N#Cc1cccc(CC(=O)NNc2cccc(-c3nn[nH]n3)c2)c1	826386708	PLBAGYQFDVCYNS-UHFFFAOYSA-N	319.328	1.424	50	20	DDGD	
CCCCNC(=O)NN=C1CCN(CCCC(=O)OC)CC1	727061051	AWJTXCILKBEESF-UHFFFAOYSA-N	312.414	1.491	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNC(=O)c1ccc(OC)c(OC)c1	491316007	RRPVYXSUURVXMP-LBPRGKRZSA-N	319.361	1.450	50	20	DDGD	
CSc1ncc(C(=O)NN(C)[C@@H](C)CO)n1-c1ccccc1	823987050	DJHXTBUCCQKXSH-NSHDSACASA-N	320.418	1.552	50	20	DDGD	
CSc1ncc(C(=O)NN(C)[C@H](C)CO)n1-c1ccccc1	823987049	DJHXTBUCCQKXSH-LLVKDONJSA-N	320.418	1.552	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)CC2CCC2)o1	820202785	LKXYIRHNQDOZIJ-UHFFFAOYSA-N	305.342	1.611	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1	495366501	DDQWRTWUDVBOJO-UHFFFAOYSA-N	320.132	1.709	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCOc3c(F)cccc32)c(F)c1	585036983	QCFSLPYOLKSIPY-HNNXBMFYSA-N	319.116	1.258	50	20	DDGD	
OB(O)c1ccc(CNC[C@H](c2ccccc2)C(F)(F)F)cc1	585036367	IJCXICUTILQFQU-OAHLLOKOSA-N	323.123	1.802	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(Cc1cccc(O)c1)CC1CC1	827813509	SVXSXOWDAXSZAT-UHFFFAOYSA-N	319.405	1.408	50	20	DDGD	
COC(=O)N(C)N=Cc1ccc(Cl)c(S(N)(=O)=O)c1	496299545	BTSKEHYVNDEHGS-UHFFFAOYSA-N	305.743	1.020	50	20	DDGD	
CN1CCN(C)[C@@H](CNC(=O)/C(C#N)=C\c2ccc(F)cc2)C1	490879200	QRINVSPOOHUZOT-MBSJSRAVSA-N	316.380	1.095	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNc1ccc(C(F)(F)F)nn1	827317500	VPTMJNNAZMQVKM-SFYZADRCSA-N	302.256	1.530	50	20	DDGD	
O=C(NNc1ncccc1F)C1CCC(N2CCOCC2)CC1	908127278	NNRNCPKFGLMRSV-UHFFFAOYSA-N	322.384	1.555	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)Nc1ccccc1C(F)F	824527519	RLLPTJALBNLURX-UHFFFAOYSA-N	311.288	1.510	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)NCc1ccco1	732234840	DBQPYNFHXQXFJC-UHFFFAOYSA-N	309.347	1.509	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cc2c(nc1O)CCCCC2	737789641	ZSAYQWZZVDOQKM-UHFFFAOYSA-N	305.378	1.863	50	20	DDGD	
COc1cc(CCNC(=O)NNc2cccnn2)ccc1O	737048734	ZOUVERXJNXJHGU-UHFFFAOYSA-N	303.322	1.060	50	20	DDGD	
O=C(NCC(Cl)Cl)[C@]1(O)CCN(Cc2ccccc2)C1	837649131	NSVCPBSKOCVYMY-AWEZNQCLSA-N	317.216	1.543	50	20	DDGD	
O=C(NCCOCC1CC1)NNC(=O)c1c[nH]c2ccccc12	731046706	XUFHBJRERISJSK-UHFFFAOYSA-N	316.361	1.539	50	20	DDGD	
CC(C)[C@@]1(C)C[C@@H]1NC(=O)NNC(=O)COc1ccc(F)cc1	838764973	FRIPLNDAPMWWIL-XJKSGUPXSA-N	323.368	1.970	50	20	DDGD	
CCC(F)(F)C(C)(C)CNC(=O)c1ccc(B(O)O)c(F)c1	585009720	AMLQLUQMCSBMIJ-UHFFFAOYSA-N	317.116	1.307	50	20	DDGD	
CCC(CC)[C@@H]1C[C@H](NCc2ccccc2B(O)O)CCO1	585033283	CIFZXVWNZYIFBJ-WBVHZDCISA-N	305.227	1.440	50	20	DDGD	
COc1ccnc(NNC(=O)CCCC(=O)c2ccccc2)n1	900159507	IKHPCIZWCYEGGW-UHFFFAOYSA-N	314.345	1.982	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)NCCc1cccs1	834947029	XYMOYEAVAJKIAG-UHFFFAOYSA-N	306.395	1.544	50	20	DDGD	
CC1(C)CC(=NNC(=O)NCC(=O)O)CN1Cc1ccccc1	833555603	OEWHMFMFEPNWHY-UHFFFAOYSA-N	318.377	1.411	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NN=c1cc[nH]c2ccccc12	839664894	VKSDOEUMHIUJPF-NSHDSACASA-N	301.346	1.689	50	20	DDGD	
COC[C@@](C)(CC(=O)O)NCCCI	833721945	HYDROVRRUWBNPU-SECBINFHSA-N	315.151	1.281	50	20	DDGD	
O=C(O)[C@@H](NS(=O)(=O)c1ccc(CCCl)cc1)C1CC1	833169563	VHNZDFVWYYFIQD-LBPRGKRZSA-N	317.794	1.609	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1nc(C(F)(F)F)co1	831826814	FMXKVXUXFVEJFH-NTSWFWBYSA-N	322.243	1.271	50	20	DDGD	
O=C(N[C@@H](c1ccccc1)C1CCC1)c1cccc(B(O)O)c1	584942614	LLMAWTXXHJYGFB-KRWDZBQOSA-N	309.174	1.638	50	20	DDGD	
CO[C@H](C)c1nc(C)c(C(=O)Nc2cccc(B(O)O)c2)s1	584911896	IULNSBPEADRGDS-SECBINFHSA-N	320.179	1.091	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCC(C)(C)CC#N	838754397	AJKSCDJHZRYHQT-UHFFFAOYSA-N	318.377	1.508	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H](C)c1c(C)n[nH]c1C	731891399	NAQOLGYRVOGVJH-SNVBAGLBSA-N	300.362	1.900	50	20	DDGD	
CN(CCCNCc1ccccc1B(O)O)c1cccc(F)c1	585018862	VKKKZYLJGMUGIL-UHFFFAOYSA-N	316.185	1.122	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cc(OC)c2c(c1)OCO2	916355677	WTZVQBUTTTYKQC-UHFFFAOYSA-N	321.377	1.606	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCOC1CCCC1	731503188	YFGDYUBMRLGFIU-UHFFFAOYSA-N	321.377	1.598	50	20	DDGD	
COCCCOCCC(=O)NNc1ccc(C(F)(F)F)nn1	831157474	IVTKVJBDXXQMEH-UHFFFAOYSA-N	322.287	1.382	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H](C)Cc1cnn(C)c1	837313171	JLPGXOVJYMTWEH-LBPRGKRZSA-N	300.362	1.368	50	20	DDGD	
COc1ccc(C(=O)NN(C)C[C@H](C)O)cc1OC(F)F	910171410	VXYDRSQUFKBSQO-QMMMGPOBSA-N	304.293	1.254	50	20	DDGD	
CN(C)c1ncccc1C(=O)NNC(=O)NC1CCCCC1	918200533	UIOSJBAPMFDZCY-UHFFFAOYSA-N	305.382	1.424	50	20	DDGD	
COCc1cc(C(=O)NNc2cccc([N+](=O)[O-])c2C)no1	748669909	LIYRZPWKJVNRDT-UHFFFAOYSA-N	306.278	1.795	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CCCn1cnc2ccccc21	745139872	WEWREJUTMKOLHG-UHFFFAOYSA-N	303.366	1.555	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NC[C@H](N)C(C)C)ccc1F	841944402	HIOJJRMYRANRLH-LBPRGKRZSA-N	312.345	1.222	50	20	DDGD	
Cc1ccc(C(C)(C)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	843646113	IIOAJRMVIJHNCP-JSGCOSHPSA-N	304.390	1.845	50	20	DDGD	
COCCC[C@H](C)C(=O)NNc1ncc(Br)cn1	848321706	BLEWTJKLODDMEZ-QMMMGPOBSA-N	317.187	1.745	50	20	DDGD	
Cc1ccc(-n2ccc(NC(=O)NNC(=O)C(C)C)n2)cc1	847218265	XLFBAYMDXXILHX-UHFFFAOYSA-N	301.350	1.989	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc2cccc(F)c2o1	843651995	GWDZXSQCOHGDKE-PSASIEDQSA-N	306.293	1.758	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccnc(C(F)(F)F)c1	843658359	UXXDMHGRHNOTMC-VXNVDRBHSA-N	317.267	1.286	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)C(C)C)c(C)cc1[N+](=O)[O-]	840911110	PEHWOASXRAHICD-UHFFFAOYSA-N	315.351	1.177	50	20	DDGD	
O=C(NC[C@H]1CNCCC1(F)F)NNc1cncc(Cl)n1	1350242785	XRCLIPXCULIRRA-SSDOTTSWSA-N	320.731	1.001	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(Cl)cc(F)c1N	843973872	ZUGVFDNZTZKITJ-HTRCEHHLSA-N	315.732	1.247	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NN(C)C[C@@H](C)O)cc1	910172299	ARHFAQLHGZZXIV-OJLMPMFISA-N	303.362	1.336	50	20	DDGD	
CCN1CCC[C@@H]1CNC(=S)NNC(=O)CC1CCCC1	749460452	VLBGVYKXXIAXLC-CYBMUJFWSA-N	312.483	1.546	50	20	DDGD	
CC(C)O[C@]1(CS(=O)(=O)NCCCSC#N)CCOC1	917006533	CYBRCUBWCGHZRE-GFCCVEGCSA-N	322.452	1.094	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H]1C[C@H]1c1ccco1	840483914	FLSHFWRDMLKPRC-VXGBXAGGSA-N	315.329	1.788	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H]1CCN(C)[C@@H]1C)c1ccccc1	843796645	TWTVFOAOVFBSTP-BPLDGKMQSA-N	303.406	1.668	50	20	DDGD	
Cn1ncc2cc(C(=O)NNC(=O)CC3CCCC3)cnc21	747517742	FHMPFWJXTMLQML-UHFFFAOYSA-N	301.350	1.310	50	20	DDGD	
O=C(NC[C@H]1COCCO1)NNc1c(F)cc(F)cc1F	914286197	WSQRLKFCBMBUTQ-QMMMGPOBSA-N	305.256	1.145	50	20	DDGD	
C[C@@H]1CCC[C@H](C(=O)NNC(=O)CNC(=O)c2cccs2)C1	741552474	DUQZTGNIBPVTGY-MNOVXSKESA-N	323.418	1.452	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=C1CC(NC(=O)OC(C)(C)C)C1	842548843	CTXRFFWTJPSSFS-MAZPRZIYSA-N	311.382	1.571	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCCC(=O)c1ccccc1	911503400	SQSFCMOKYOZPCC-TZMCWYRMSA-N	318.373	1.612	50	20	DDGD	
C[C@@H]1OC(=O)N[C@@H]1C(=O)NNc1ccccc1Br	841410046	ZZIMYUKGCMWZST-RCOVLWMOSA-N	314.139	1.389	50	20	DDGD	
O=C(CN1CSCCSC1)NNc1ccc(F)cn1	913807917	XYMHCTIOQYQLTI-UHFFFAOYSA-N	302.400	1.361	50	20	DDGD	
CN(CCN1CCCCC1)C(=O)/C(C#N)=C/c1cnn(C)c1	846611541	CFUNVFSZYZKZBI-XNTDXEJSSA-N	301.394	1.271	50	20	DDGD	
CC(=NNC(=O)c1ccncc1)c1ccc(O)c([N+](=O)[O-])c1	749603453	IONFBOBFSZQOJG-UHFFFAOYSA-N	300.274	1.849	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)CCc2ncc[nH]2)c1	843870361	SSCRBSFULFNSOL-UHFFFAOYSA-N	316.365	1.579	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)N[C@H]1CCN(CC(F)F)C1	841593631	CREQDWQRAIOYDQ-VIFPVBQESA-N	319.743	1.701	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CCCn2ccnc2C)n1	748335917	RDMMCPMSKGIMDC-UHFFFAOYSA-N	308.773	1.867	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NCCCNC(C)C)cc1	841933505	DPWILYYAMNUYRI-UHFFFAOYSA-N	323.397	1.419	50	20	DDGD	
CC(C)NCCCNC(=O)NNC(=O)c1cccc(N(C)C)c1	841933978	MSFKCQCMTLDRAY-UHFFFAOYSA-N	321.425	1.085	50	20	DDGD	
C[C@H]1COC[C@@H]1NC(=O)NNC(=O)c1nc2ccccc2s1	926032181	OKMQTXFTGRFVAW-WPRPVWTQSA-N	320.374	1.275	50	20	DDGD	
Cn1ncc(C(=O)NN=c2cc[nH]cc2Cl)c1C(F)F	757417549	HIMXTWYSXLKNMQ-UHFFFAOYSA-N	301.684	1.585	50	20	DDGD	
CN1CCc2nc3ccccc3c(C(=O)NNC(=O)C3CC3)c2C1	859376401	GANXQEMWOYPXMT-UHFFFAOYSA-N	324.384	1.394	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cnn(C(C)C)c2)c(O)c1	756826543	IRQPVZNKUBJWBF-UHFFFAOYSA-N	317.349	1.945	50	20	DDGD	
C[C@]1(CN2C(=O)[C@@H]3CCCCN3C2=O)C[C@@H]1Br	857226897	BMULFTHUASKPBP-HOTUBEGUSA-N	301.184	1.977	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2cccc(F)n2)[C@H]2CCCC[C@H]2N1	854443088	NAXCKQXSMIPPQR-OUAUKWLOSA-N	306.341	1.359	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccccc1[S@@](=O)C(F)(F)F	929231630	IFWLOYVYIDNGDC-OAQYLSRUSA-N	320.292	1.485	50	20	DDGD	
Cc1ccc(NNC(=O)c2ccn(CCN(C)C)n2)cc1F	856231607	DWDRYEIZVJUQRM-UHFFFAOYSA-N	305.357	1.649	50	20	DDGD	
CC(C)[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1cc[nH]n1	855358485	LHBWIDHBHCIPBH-CYBMUJFWSA-N	300.362	1.686	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	858122146	QNYWKVUHLDGDIX-KGLIPLIRSA-N	322.361	1.179	50	20	DDGD	
N#Cc1ccc(NCC(=O)NNC(=O)OCC(F)(F)F)cc1	856024274	OQPTYVPAQNKPFW-UHFFFAOYSA-N	316.239	1.290	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CCOC(C)(C)[C@H]2C)c1	858706147	MQZIYBYTCFWXEJ-SNVBAGLBSA-N	311.407	1.910	50	20	DDGD	
C[C@@]1(CNCc2cnc3c(C#N)cnn3c2)C[C@@H]1Br	857064969	HDBXLOBRGHCIEY-AAEUAGOBSA-N	320.194	1.864	50	20	DDGD	
O=C(NN=Cc1n[nH]nc1-c1ccccc1)c1ccc(O)cc1	755468685	ZOZIZPAOGVISSY-UHFFFAOYSA-N	307.313	1.941	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)CC[C@@H]1CCCCO1	854282233	SLIZLDCKESGANG-LBPRGKRZSA-N	317.455	1.210	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H](CN1CCCC1)c1ccccc1	854214685	QSSFNGIUNKKEGM-HNNXBMFYSA-N	303.406	1.669	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H](C)C[C@H]2CCOC2)c1	858299444	WENJRYNINJPZHI-GHMZBOCLSA-N	311.407	1.816	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)COCc2ccccc2)nc1	759734483	IEKAOJAWQYKQHT-UHFFFAOYSA-N	315.329	1.528	50	20	DDGD	
C#C[C@H](NC(=O)NNc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCO1	854003437	HXNHYCFRCQHOBL-WCQYABFASA-N	322.296	1.541	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=S)NCC1CCC1	855093730	ZAZNABCWGFPGMN-UHFFFAOYSA-N	309.391	1.066	50	20	DDGD	
CC(=O)NNC(=O)C[C@@H](CNC(=O)OC(C)(C)C)CC(C)C	854155786	USWDGYOYLKSFIL-LBPRGKRZSA-N	315.414	1.731	50	20	DDGD	
CC1(C#N)CCN(C(=O)NNC(=O)c2cccc(F)n2)CC1	852708570	FDRJCDTYTJRKKP-UHFFFAOYSA-N	305.313	1.201	50	20	DDGD	
CC1CCN(C[C@H](C)NC(=O)/C(C#N)=C/c2cnn(C)c2)CC1	855899904	XFQGDEBVPONUGZ-BRSWLGOBSA-N	315.421	1.564	50	20	DDGD	
CC(C)CN1CCN(CCI)[C@@H](C)C1=O	759452590	QARFOXYSAORERW-JTQLQIEISA-N	324.206	1.610	50	20	DDGD	
CC(C)C[C@H](CN)NC(=O)NC[C@@]1(C)C[C@@H]1Br	857103853	NUBAMJDIGYIKRP-JFGNBEQYSA-N	306.248	1.833	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccc(Cl)nn2)[C@H]2CCCC[C@@H]2N1	857129231	HRVHJCRHKSSPDP-UTLUCORTSA-N	323.784	1.268	50	20	DDGD	
C[C@]1(CCC(=O)NNc2cc(F)c(F)cc2F)CCC(=O)N1	753417141	RKIVZKJORMFALA-CQSZACIVSA-N	315.295	1.996	50	20	DDGD	
CCc1cc(CNC(=O)NNC(=O)c2cc(C)cs2)n[nH]1	858238033	QCHCBMRMXIGOED-UHFFFAOYSA-N	307.379	1.486	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(-n2nc(C)cc2C)nc1	755874686	RZQLBSYJLWDZGY-UHFFFAOYSA-N	302.338	1.447	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CNC(=O)NNC(=O)CC(F)(F)F	752699806	HEHQHVUKXXSALP-ZCFIWIBFSA-N	322.287	1.678	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@]1(c2ccccc2)CC1(C)C	852772106	GPLLXQKYNHIXNF-KRWDZBQOSA-N	303.406	1.705	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](C)CO[C@@H]2CCOC2)cc1F	853838475	GPOQAFIKBJHHQI-WCQYABFASA-N	311.357	1.954	50	20	DDGD	
COc1cc(C#N)ccc1OCC(=O)NN[C@@H](C)C(F)(F)F	862306388	KELFNTOBXCUBRT-QMMMGPOBSA-N	317.267	1.517	50	20	DDGD	
O=[N+]([O-])c1cc(F)c(COc2ccc(B(O)O)cc2)c(F)c1	864048421	WPSNPNLHZTWQRP-UHFFFAOYSA-N	309.033	1.132	50	20	DDGD	
COCC(=O)NN=C(C)c1ccc(OC)c(CN2CCCC2)c1	761825102	QMSNIVKEPQYBNJ-UHFFFAOYSA-N	319.405	1.778	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NN=Cc1cccnc1N	764668932	VYJDVDKDSUUPSB-SNVBAGLBSA-N	302.309	1.721	50	20	DDGD	
COc1ccc(C2(C(=O)NNC(=O)c3cn[nH]c3)CCC2)cc1	862474445	LJVUAPMXYGPONE-UHFFFAOYSA-N	314.345	1.301	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNc1cccc(C(=O)OC)c1	935302891	TWCXIYPBCBBABJ-VXGBXAGGSA-N	306.318	1.116	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)/C=C\[C@@H]1CCOC1	862289068	LQCLBLOWGOHWPU-WBTMPAOCSA-N	304.346	1.879	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1)c1ccnn1C	766002245	LSTVDCWWHQHEOH-AGIUHOORSA-N	321.425	1.006	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCCOc2ccc(F)cc21	863967714	UASOLHPEPYUYID-UHFFFAOYSA-N	319.336	1.441	50	20	DDGD	
O=C(CCCn1cccn1)NNCC(F)(F)C(F)(F)F	863093803	BLTNPNPVKVRHLN-UHFFFAOYSA-N	300.231	1.482	50	20	DDGD	
Cn1nc(C2CC2)cc1C(=O)NNC(=O)c1cccc(C#N)c1	931935762	RSPUHFKVAOHZLZ-UHFFFAOYSA-N	309.329	1.244	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=CCCCCOc2ccccc2)N1	863149183	TVRAZLJUJIGPAA-CQSZACIVSA-N	303.362	1.616	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)C(=O)Nc1cccc2[nH]ccc12	764076151	BABPZIQTPBXNQV-UHFFFAOYSA-N	314.345	1.444	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1cccc2c1OCC2	861377230	TVIDIBSWNVMLEF-LBPRGKRZSA-N	305.334	1.343	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCc1cccnn1	767882476	PZVCCUXLGRMTNS-UHFFFAOYSA-N	300.322	1.321	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccc(C)c(Cl)c1	869909297	PWKOKQVYWUICAI-UHFFFAOYSA-N	300.742	1.072	50	20	DDGD	
CCCCS[C@@H](C)C(=O)NNC(=S)NCCSC	769768158	FGQIKTAAYLYTNF-VIFPVBQESA-N	309.526	1.767	50	20	DDGD	
CC1=NO[C@@H](CNC(=O)NNC(=O)c2cc3c(s2)CCC3)C1	875983615	ZSRCKTGJZQZMGF-SNVBAGLBSA-N	322.390	1.346	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(C)n(Cc2ccco2)c1C	1118770897	UBFHFMJQKVUJEE-UHFFFAOYSA-N	320.418	1.827	50	20	DDGD	
COCCOCCC(=O)NNc1cccc(F)c1C(=O)OC	773621562	QJBMBRCFDLQVPA-UHFFFAOYSA-N	314.313	1.109	50	20	DDGD	
NC[C@@]1(C(=O)NNc2ccccc2C(F)(F)F)CCCOC1	876598623	OYUKHUUSXWHCHH-ZDUSSCGKSA-N	317.311	1.904	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NC1(C(F)(F)F)CCC1	879378515	LSSNMSHFMPAFGM-UHFFFAOYSA-N	316.283	1.440	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN[C@@H](C)c2ccccn2)cc1	776229873	DUMUOMPWPSHIFG-ZDUSSCGKSA-N	312.373	1.502	50	20	DDGD	
Cn1c(C(=O)NNc2ncccn2)cc(Br)c1C=O	1116094730	LEGCWGIIDSSYBM-UHFFFAOYSA-N	324.138	1.147	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=C2CCC[S@@](=O)CC2)cc1	872411152	DDKZHYKFOVFKGB-OAQYLSRUSA-N	308.359	1.403	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1cnn(C[C@H]2CCCO2)c1	775641392	OXEJRLDANGGXCM-LLVKDONJSA-N	321.316	1.140	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)c1ccccc1OC)c1cccnc1	771897987	MTIPYRYBWZHUAC-AWEZNQCLSA-N	315.329	1.239	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@H]1CCCCN1Cc1ccncc1	1116516675	DTIAYORRTCWQBD-MRXNPFEDSA-N	311.389	1.396	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@H](NC(=O)NNC(=O)CC(F)(F)F)C1(C)C	776065852	DJMUGGZBPDLBPD-CNUIFLNQSA-N	311.304	1.329	50	20	DDGD	
COCCC1(C(=O)NN=c2sc3ccccc3n2C)CC1	772952968	IJJYWWLJYRJOKU-UHFFFAOYSA-N	305.403	1.988	50	20	DDGD	
N#Cc1cccc(NNC(=O)C(=O)Nc2ccc3c(c2)CCO3)c1	773681299	OZZSKKNFMUIKJN-UHFFFAOYSA-N	322.324	1.575	50	20	DDGD	
C#C[C@H](NC(=O)NNc1cc(F)c(F)c(F)c1)[C@@H]1CCCO1	776225740	QNGRASNZYQVLOQ-RYUDHWBXSA-N	313.279	1.911	50	20	DDGD	
CCOCC(=O)NN=Cc1cn(C)nc1-c1ccc(C#N)cc1	777885806	MLEWOYYIRYVLFE-UHFFFAOYSA-N	311.345	1.445	50	20	DDGD	
O=C(NNc1c(F)cccc1F)N[C@H]1CCn2ccnc2C1	779664932	FJXXPEJWNIXEGC-VIFPVBQESA-N	307.304	1.802	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](C)OCCc1ccccc1	887148960	DEWACQUTYWQWTJ-AWEZNQCLSA-N	302.374	1.585	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cn(C)nc1-c1ccccc1	771551915	XFJFGTOXRSPRHX-UHFFFAOYSA-N	313.361	1.062	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)NC[C@H]1C=CCC1	883460749	FPGYBODORPJASI-ZDUSSCGKSA-N	303.362	1.752	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)C1CCOCC1	883064315	XWUIWSPZHOQXPN-AAEUAGOBSA-N	324.327	1.642	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1c(F)cc(F)cc1F	885150798	KZGXPXVODZLFMU-QMMMGPOBSA-N	306.284	1.989	50	20	DDGD	
CC(C)CS(=O)(=O)CCC(=O)NNc1cc(F)ccc1F	885144375	BNEMSZBAOYGDGW-UHFFFAOYSA-N	320.361	1.869	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CN2CCC[C@@H](CF)C2)cc1	880236370	ZKFVETJKLUBMRI-ZDUSSCGKSA-N	318.352	1.001	50	20	DDGD	
CN(CCCN)Cc1cn(/C(Cl)=C/CBr)nn1	881310487	JUWBBZZVFXWSNL-XCVCLJGOSA-N	322.638	1.491	50	20	DDGD	
COC1CCC(C(=O)NNC(=O)COc2ccc(C)cc2)CC1	780172935	XHFHTOYRZKEQML-UHFFFAOYSA-N	320.389	1.726	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cn2cc(C)ccc2n1	789022795	FLIMTRQAEHPSFP-LBPRGKRZSA-N	304.350	1.144	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2c[nH]c(C)cc2=O)c1	780796459	AGGKCRBLZBVKJR-UHFFFAOYSA-N	301.302	1.227	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCCCN1CCOCC1	781066464	HGWLBSJSHRRMLQ-NSHDSACASA-N	321.259	1.635	50	20	DDGD	
CO[C@](C)(C1CC1)[C@@H](C)NC(=O)NNc1ccc(C#N)cn1	889239235	LGMDPXGHUNUQPP-BMIGLBTASA-N	303.366	1.783	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2CCCC23OCCO3)n1	889505926	GMZGXGZNGQLVTL-NSHDSACASA-N	307.354	1.015	50	20	DDGD	
O=C(NCCOc1ccccc1)NNc1ncncc1Cl	780948283	NFIPCAKFSTXSHI-UHFFFAOYSA-N	307.741	1.835	50	20	DDGD	
CC(C)n1nccc1NC(=O)C(=O)NNc1cccnc1Cl	784842334	PDOXWUZHHZCMRM-UHFFFAOYSA-N	322.756	1.594	50	20	DDGD	
COc1ccc(NNC(=O)NNC(=O)c2ccccc2C)nc1	780946241	GQYKSUBJYPHHJK-UHFFFAOYSA-N	315.333	1.370	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(OCC(F)F)nc1	780712114	YGEVGWOPRNTOJV-UHFFFAOYSA-N	302.281	1.032	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C1(c2ccccc2)CC1	899890331	YUEAFGIMNSQWSF-UHFFFAOYSA-N	321.446	1.592	50	20	DDGD	
COc1ccc(F)c(C(=O)NNC(=O)C2CCCC2)c1OC	788432789	SEFGFZOCOCOUOE-UHFFFAOYSA-N	310.325	1.794	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)NCCc2ccc(F)cc2)n1	788829359	ZOVJZAXBJSKMJV-UHFFFAOYSA-N	324.747	1.720	50	20	DDGD	
C=CCCCCCC(C)=NNC(=O)[C@H](C)NS(C)(=O)=O	789004579	UOZVLXFDJNDKJB-LBPRGKRZSA-N	303.428	1.553	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCOC2(CCC2)C1)c1ccc(Cl)nc1	895752741	LJIFWUZJNQELFG-JTQLQIEISA-N	323.780	1.845	50	20	DDGD	
CCc1nc(C(=O)NNc2nnc(-c3ccccn3)s2)co1	788561693	KSWTWAQHLURMRZ-UHFFFAOYSA-N	316.346	1.907	50	20	DDGD	
CC(C)(C)CC(=NNC(=O)Cc1cc(O)nc(O)n1)C1CC1	787158410	UXANYDKYBQRLBN-UHFFFAOYSA-N	306.366	1.749	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@H](C)[C@H](O)CC)cc1OC	899958534	VMAYFUMGRJRANT-CMPLNLGQSA-N	324.377	1.262	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CSc1ccc(O)cc1	899996693	QLXZBLLAODAHLF-UHFFFAOYSA-N	313.448	1.778	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@@H]1CN1CCN(c2nc(N)nc(C3CC3)n2)CC1	897573024	BHIDCSCVNMLFBR-WCQGTBRESA-N	322.844	1.327	50	20	DDGD	
CC(C)(O)C(=O)NN=C1CCOc2c1cc(F)cc2[N+](=O)[O-]	785462439	SQOQCIFHPVEMIC-UHFFFAOYSA-N	311.269	1.108	50	20	DDGD	
Nc1ncc(C=NNC(=O)c2cccc(OC(F)F)c2)cn1	781593234	QTINOQJCWQBTDU-UHFFFAOYSA-N	307.260	1.424	50	20	DDGD	
Cn1ccnc(NNC(=O)CCCc2ccc(O)c(F)c2)c1=O	787998988	GKOBFCQQFANEQS-UHFFFAOYSA-N	320.324	1.091	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)NCCc1cccs1	793207056	MGEXNEQYXCDGBT-PWSUYJOCSA-N	313.423	1.682	50	20	DDGD	
COc1cc(C=NNC(=O)NCC(F)(F)F)ccc1C#N	799477926	LXJVCTZNINRXRP-UHFFFAOYSA-N	300.240	1.762	50	20	DDGD	
Cc1cccnc1NNC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1	791223193	XUVUMTGFRDHIEH-UHFFFAOYSA-N	324.344	1.031	50	20	DDGD	
CO[C@@H](C)CC(=O)NNC(=O)c1cc(C)nc2ccccc12	799008408	SFBBEWAOHDIWEL-NSHDSACASA-N	301.346	1.729	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CC[C@@]1(C)CCC(=O)N1	793331911	XVEMKEXSSJAIRM-OAHLLOKOSA-N	322.317	1.958	50	20	DDGD	
CN(C)N(C(=O)C(F)=C1CCCC1)[C@@H]1CCS(=O)(=O)C1	792849602	JSYNENRJHZOHMN-LLVKDONJSA-N	304.387	1.276	50	20	DDGD	
Cc1cccnc1NNC(=O)CN(C)c1ccccc1[N+](=O)[O-]	791220044	BFTGBTNHROYEAC-UHFFFAOYSA-N	315.333	1.878	50	20	DDGD	
COc1cccc(C=NNC(=O)C(=O)Nc2ccccn2)c1F	799880712	GQDXARRWOZIRCZ-UHFFFAOYSA-N	316.292	1.318	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)NC1CCCCC1	794764035	POFKORDARNOEJJ-CYBMUJFWSA-N	310.398	1.051	50	20	DDGD	
CNC(=O)[C@@]1(C)CCN(C(=O)[C@H](Br)C(C)(C)C)C1	797774696	QHXKIHSHPAFPBE-ZANVPECISA-N	319.243	1.781	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)c(C)n1CC1CC1	1324452920	DAHXALJADVMTGU-HNNXBMFYSA-N	319.405	1.845	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2C[C@H](C)O[C@@H](C3CC3)C2)c1	1328815942	VKSFOBBYBZLPFK-CMPLNLGQSA-N	323.418	1.910	50	20	DDGD	
CCc1ccccc1CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	1328118596	CODKDGFRBUAWGD-BXUZGUMPSA-N	305.378	1.504	50	20	DDGD	
CC(C)(C)OC(=O)N(CC=NNC(=O)CCO)C(C)(C)C	1326863972	NZOZAFREDNOJRO-UHFFFAOYSA-N	301.387	1.506	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)Nc2ccccc2)cn1	1327166425	BKDHQRVCBNGYMK-UHFFFAOYSA-N	300.318	1.947	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(C(C)(C)C)nn1)[C@@H]1CCOC1	1321312690	KGHKTSVOKJETOS-GHMZBOCLSA-N	307.398	1.825	50	20	DDGD	
Cn1c(C(=O)N2CC=C(C#N)CC2)cc(Br)c1C=O	1320156349	KBNCTZLCDCLFGI-UHFFFAOYSA-N	322.162	1.896	50	20	DDGD	
CN(CC(=O)NNc1nncc(N)c1Cl)c1ccccc1	1324009167	LCGZCEKEBQUIGF-UHFFFAOYSA-N	306.757	1.292	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)CNC(C)(C)C)c1	1251551950	WAURKHDCVUQVIZ-UHFFFAOYSA-N	307.394	1.218	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccnc(OC2CCC2)c1	1333529177	ULSGZDZRLNYWJW-UHFFFAOYSA-N	301.346	1.577	50	20	DDGD	
CCN(C)Cc1cccc(CNC(=O)NN(C)C(=O)OC)c1	1336322228	WTNZYBXJSFPKFL-UHFFFAOYSA-N	308.382	1.551	50	20	DDGD	
CO[C@H]1CCC[C@H]1C(=O)NNc1cc(O)nc2ncccc12	1336051790	AIJHICGPBLEBAL-PWSUYJOCSA-N	302.334	1.594	50	20	DDGD	
C[C@@]1(Cn2nnnc2N2C[C@H]3C=C[C@H]2C3)C[C@@H]1Br	1334658342	QYECDTCKAUVKCE-GMOBBJLQSA-N	310.199	1.611	50	20	DDGD	
Cc1nc2c(cnn2C(C)C)cc1C(=O)NNc1cnnn1C	1261246017	YFECROQDJFAVLD-UHFFFAOYSA-N	314.353	1.206	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)[C@@H]2C[C@@H]2F)c1	1347558518	VPSFJHHIKGVGMK-APPZFPTMSA-N	301.705	1.859	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCC(C)CC1)c1ccnc(C)n1	1343642979	FYKRYLJWXISYKH-CYBMUJFWSA-N	317.437	1.993	50	20	DDGD	
CCOC(=O)N(C)CCCC(=O)NNc1cccc(OC)n1	1262117181	GEOODYUXECPEFT-UHFFFAOYSA-N	310.354	1.402	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)NNC(=S)Nc1ccccn1	1349007384	UGPBJGREECBOHD-KOLCDFICSA-N	306.391	1.405	50	20	DDGD	
COc1cc(F)c(C(=O)NNC(=O)C2CCOCC2)c(F)c1	1518367120	VVJFXDFZNZRPSD-UHFFFAOYSA-N	314.288	1.161	50	20	DDGD	
O=C(NC1CC1)c1cc(F)c(NNC(=O)[C@H]2C[C@H]2F)c(F)c1	1521273218	ZJFDRKDLIFCZMX-DTWKUNHWSA-N	313.279	1.658	50	20	DDGD	
CC1(C)[C@@H]2CC[C@@]1(C(=O)NNC(=O)c1cccc(F)n1)C(=O)C2	1528619870	KHVPQVHMVGOSBF-ABKXIKBNSA-N	319.336	1.377	50	20	DDGD	
NC[C@@H](NC(=O)NNc1ccc(C(=O)O)c(F)c1)C1CCCC1	1608251311	BTZKRTCYDAYZBE-CYBMUJFWSA-N	324.356	1.668	50	20	DDGD	
O=C(NN=Cc1cc(C(=O)O)c2n1CCCC2)c1cnsn1	1601552865	LBLDMLRFXCRGIV-UHFFFAOYSA-N	319.346	1.138	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=c2cc[nH]cc2Cl)c(F)c1	1602324149	BLKSUBLXLJTBPG-UHFFFAOYSA-N	309.684	1.751	50	20	DDGD	
CO[C@]1(C(=O)O)CCN(/C(=C\C#N)c2cccc([N+](=O)[O-])c2)C1	1606690897	GJDLXRWBYIIWRQ-KSKAUBAUSA-N	317.301	1.635	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)NC1C[C@@H]2CC[C@H](C1)S2	1605821020	RWLGATYXUNMPCK-PBINXNQUSA-N	322.390	1.833	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2ccc(C(=O)O)c(F)c2)CCC1	1605514697	ADZCPNIUCLCGIS-UHFFFAOYSA-N	324.308	1.700	50	20	DDGD	
COc1cccc(C(=O)NNc2ccccc2C(=O)O)c1O	1607305092	KXUJOKBCODSNBR-UHFFFAOYSA-N	302.286	1.856	50	20	DDGD	
CC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc[nH]n1)C2	1800067623	LLUODTXILUNHSW-USZNOCQGSA-N	324.812	1.679	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@@H]2CCCO[C@@H]2c2nccn2C)CCO1	1549311601	STGPELQHVJWLLX-BNOWGMLFSA-N	320.393	1.559	50	20	DDGD	
COc1ccc(F)cc1C=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549322378	YRMDRRMVEZHMAU-DZGCQCFKSA-N	321.352	1.148	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@@H]1C=NNC(=O)c1ccon1	1553287886	ORVKRQMPTKPVJO-PWSUYJOCSA-N	303.322	1.292	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1C[C@@H](N)C1(C)C)c1ccccc1	1576939925	ZYPLPJGIMJTMFH-MELADBBJSA-N	303.406	1.701	50	20	DDGD	
COc1cccc(NCC(=O)NNc2cc(Cl)nc(N)n2)c1	1579283192	ZSPHQBDGUOSAQM-UHFFFAOYSA-N	322.756	1.276	50	20	DDGD	
C=C(C)C[C@H](NC(C)=O)C(=O)NNc1cccc(C(=O)O)c1C	1588546727	BJZUVKBMEUBNFE-AWEZNQCLSA-N	319.361	1.607	50	20	DDGD	
C=C(CBr)CN1C[C@H](C(=O)O)CC[C@@H]1C(=O)OC	1588605162	AURAGIITKOXBDO-NXEZZACHSA-N	320.183	1.276	50	20	DDGD	
O=C(c1cn[nH]c1)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846387466	APCCIFZHONRDEC-UHFFFAOYSA-N	317.176	1.030	50	20	DDGD	
O=C(NNc1cc(Br)ccc1F)NC1CNC1	1580737719	WSHFFCZMQZUNBO-UHFFFAOYSA-N	303.135	1.186	50	20	DDGD	
CC(=O)c1ncc(C(=O)NNc2ccc(F)c(C(=O)O)c2)s1	1589322704	KMZJOLKJCXNMCE-UHFFFAOYSA-N	323.305	1.940	50	20	DDGD	
C[C@](C#N)(CC(=O)O)C(=O)NNc1ccnc(C(F)(F)F)c1	1588541641	IGFYTYZLCIOLEX-LLVKDONJSA-N	316.239	1.548	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNc1cccc(C(=O)O)c1C	1597307992	OKNASYSWSXHQCL-OLZOCXBDSA-N	307.350	1.887	50	20	DDGD	
CCOc1ccc(C(=O)NNc2ccc(CC(=O)O)cc2)cn1	1597062636	ZUHFZEIJIHNABD-UHFFFAOYSA-N	315.329	1.864	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)O	1596862656	IHGSNIQFESASIN-GMCKNXKJSA-N	318.329	1.196	50	20	DDGD	
CCCCOc1ccc(C(C)=NNC(=O)NCC(=O)O)cc1	1595775606	MXNXSICVIRXJEK-UHFFFAOYSA-N	307.350	1.973	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNc2cccc(C(=O)O)c2)n1	1598992542	YYVGLTURXIWUGJ-UHFFFAOYSA-N	315.285	1.323	50	20	DDGD	
COCCN(CC(C)C)NC(=O)c1c(C)[nH]c(C(=O)O)c1C	1599234875	JJGLQUNGYBYUJT-UHFFFAOYSA-N	311.382	1.579	50	20	DDGD	
CO[C@@H]1C(=NNC(=O)c2ccc(C(=O)O)cc2)[C@@H]2CCC[C@H]12	1776101795	YXWJVBANQGJRIW-DYEKYZERSA-N	302.330	1.916	50	20	DDGD	
C/C=C/C(=O)N1CCO[C@]2(CCN(C(=O)C(Cl)Cl)C2)C1	1783949844	LWKKLUVDKUWHJL-YWVDXFKGSA-N	321.204	1.196	50	20	DDGD	
CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](F)Cl)C3)COC1	1792693923	NQDVQGDBLFAHOW-VLEAKVRGSA-N	318.776	1.196	50	20	DDGD	
CCn1nncc1CNS(=O)(=O)c1ccc(CCl)cc1	917943254	ZFNCVDVMTZOJFU-UHFFFAOYSA-N	314.798	1.515	50	20	DDGD	
CNc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)c1ccccn1	16202004	AFCBSLNHOXTYTF-UHFFFAOYSA-N	315.289	1.106	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(-c2ncn(C)n2)cc1	161313642	JJIQWPSXYHEPJV-SNVBAGLBSA-N	316.365	1.681	50	20	DDGD	
C[C@]1(NS(=O)(=O)c2ccc(CCCl)cc2)CCOC1	160051872	HRMLRVIIYZVYEQ-ZDUSSCGKSA-N	303.811	1.925	50	20	DDGD	
CC(=O)NNC(=O)C1CCN(C(=O)OCc2ccccc2)CC1	168594498	ZAIAKJLEPORIRW-UHFFFAOYSA-N	319.361	1.203	50	20	DDGD	
N#Cc1ccc(NC(=O)NNc2nc3ccccc3c(=O)[nH]2)cc1	151826837	MECRAWBXWVWOKN-UHFFFAOYSA-N	320.312	1.943	50	20	DDGD	
Cc1ccc(C)c(-c2cc(C(=O)NNC(=O)c3cc[nH]n3)[nH]n2)c1	151137505	QIJGJRXYOILRNW-UHFFFAOYSA-N	324.344	1.491	50	20	DDGD	
COCCC1(C(=O)NNC(=O)c2ccc(C#N)cc2)CCCC1	151350732	OABILDRITJJATR-UHFFFAOYSA-N	315.373	1.916	50	20	DDGD	
O=C(Cc1ccccc1)NCC(=O)NNc1ccccc1F	153019355	XKIFIGMYTYXNHL-UHFFFAOYSA-N	301.321	1.628	50	20	DDGD	
CCCCCCN(C)CC(=O)NNc1ncccc1[N+](=O)[O-]	153290020	ASGNDDMNKRYOIC-UHFFFAOYSA-N	309.370	1.945	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc(N(C)C)cc2F)n1	156829678	VZJTWJCMELBNAU-UHFFFAOYSA-N	305.313	1.447	50	20	DDGD	
COC(=O)CNC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	53084867	RIKJQOFZGLOXNX-VIZOYTHASA-N	317.389	1.957	50	20	DDGD	
Cn1cc(CNC(=O)NNC(=O)c2ccc3ccccc3n2)cn1	54808854	FOMSBOCXRTXPNT-UHFFFAOYSA-N	324.344	1.113	50	20	DDGD	
Cn1c(NNC(=O)Cc2cccs2)nc2ccccc2c1=O	113187438	KPDAYJDENJGXQR-UHFFFAOYSA-N	314.370	1.681	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)c1cccc2[nH]ncc12	61477156	MEXKPUIOUPHCSL-UHFFFAOYSA-N	324.340	1.793	50	20	DDGD	
Cn1ccc(CC(=O)NNc2nnc(-c3ccccn3)s2)n1	188200744	OGCLSMGHZSSVDZ-UHFFFAOYSA-N	315.362	1.019	50	20	DDGD	
CCOc1cn(-c2ccccc2)nc1C(=O)NNc1cnccn1	114880366	WYASVCRHUIIUKA-UHFFFAOYSA-N	324.344	1.818	50	20	DDGD	
CCC(CC)NC(=O)NNC(=O)Cc1cn2ccccc2n1	175155576	FHEMVQAYJKBCFR-UHFFFAOYSA-N	303.366	1.396	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@H]1C[C@H]1c1c(F)cccc1F	116181039	OTVQRPZVMGHDHT-ZJUUUORDSA-N	309.316	1.809	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1ccc(F)cc1C#N	126168508	GSRXCERLZWRBEU-UHFFFAOYSA-N	320.324	1.219	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)CCOc1ccccc1)C1CC1	171168944	JKSFYTIOBDUDAW-NSHDSACASA-N	307.419	1.749	50	20	DDGD	
Cc1sc2ncc(C(=O)NNC(=O)C(C)(C)C)c(=O)n2c1C	179819245	KXSVELMNFXEFLD-UHFFFAOYSA-N	322.390	1.180	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H](C)CCN(C)C)cc1	68598988	YRXGQGFCSHDJDG-LBPRGKRZSA-N	306.410	1.533	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1cncc(F)c1	129228409	NWHWDMCOLQWOMW-UHFFFAOYSA-N	318.308	1.102	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2ccc3nccn3c2)c1	75468885	HTMHSFIVLXAIKA-UHFFFAOYSA-N	323.356	1.475	50	20	DDGD	
C[C@@H]1CC[C@@H](NCC(=O)NNC(=O)c2ccccc2)[C@H](C)C1	187608080	YPFDYJZBGJYLAX-UMVBOHGHSA-N	303.406	1.862	50	20	DDGD	
Nc1nccnc1C(=O)NNc1cccc(Br)c1	127256739	ZNDIGKZRGIKMTM-UHFFFAOYSA-N	308.139	1.578	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)COCc2ccccc2)cn1	78193352	JEBCNRBGLAYHOJ-UHFFFAOYSA-N	313.357	1.297	50	20	DDGD	
CC[C@@H](OC1CCCCC1)C(=O)NNC(=O)Cc1ccncc1	121984833	UXMJVQLOCDUVPL-OAHLLOKOSA-N	319.405	1.899	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCCC[C@H]1CCCCO1	186429162	RBTGCCIHHXFGRU-CQSZACIVSA-N	320.393	1.304	50	20	DDGD	
O=C1CN(S(=O)(=O)CCCCCl)[C@H]2CCCC[C@@H]2N1	154676746	WOFJENLFWIXEHR-QWRGUYRKSA-N	308.831	1.078	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NC[C@@](C)(O)C(C)C)cc(C#N)n1C	75253010	BRRFMSJGECPHCE-JJKQHFEOSA-N	314.389	1.635	50	20	DDGD	
O=C(NNc1c(F)cccc1Cl)N[C@H]1CCS(=O)(=O)C1	184750658	XQPCLRIKUYDINX-ZETCQYMHSA-N	321.761	1.292	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C(C)(C)OC(C)=O)c1ccccc1	188861378	DUQSEXZAOSXCMC-CYBMUJFWSA-N	306.362	1.669	50	20	DDGD	
COc1cccc(CCCNC(=O)NNc2cccnn2)c1	77661295	SMDDZNVAJIMMDB-UHFFFAOYSA-N	301.350	1.744	50	20	DDGD	
O=S(=O)(CBr)NC[C@H]1Cc2ccccc2O1	126692891	TYXLDKWEFSCREU-SECBINFHSA-N	306.181	1.262	50	20	DDGD	
CN(NC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1)C(N)=O	182640884	YMNBATKWJXOGAX-UHFFFAOYSA-N	306.366	1.004	50	20	DDGD	
CCc1ccc(CC(=O)NNC(=O)C(=O)NC(CC)CC)cc1	122168026	UNXNPLRCGPYNHF-UHFFFAOYSA-N	319.405	1.244	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@H](C)c2nccs2)n1	184266934	BAWSDUPRYDYZOL-QMMMGPOBSA-N	322.394	1.680	50	20	DDGD	
COC1(CNC(=O)NNC(=O)Cc2cccnc2)CCCCC1	187802123	NIIHMYWOMDDKOI-UHFFFAOYSA-N	320.393	1.304	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2ccc(C(F)(F)F)cn2)CC1=O	131960543	DAFXEYDOENCRSP-QMMMGPOBSA-N	316.283	1.412	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](C)COCC(F)(F)F)o1	84154964	PSNCFPUENBSRCQ-ZETCQYMHSA-N	323.271	1.499	50	20	DDGD	
COc1nccnc1NNC(=O)CCc1cc(F)ccc1F	132105759	TZHCZIJJZKJBJU-UHFFFAOYSA-N	308.288	1.839	50	20	DDGD	
ICCN1CCS[C@H]2COCC[C@@H]21	190945656	VKNRSAMMDNUGRN-IUCAKERBSA-N	313.204	1.628	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)CC(F)(F)F	130880645	IXEXSPZGESOUDW-UHFFFAOYSA-N	322.308	1.887	50	20	DDGD	
Cc1c(CCC(=O)NNC(=O)Cc2ccccc2F)cnn1C	132577480	IOCIDIDFKFLBNV-UHFFFAOYSA-N	318.352	1.190	50	20	DDGD	
COC(=O)NNC(=O)[C@@H]1Cc2cc(Br)ccc2O1	194926233	FCHUEWVMNDYHFF-VIFPVBQESA-N	315.123	1.140	50	20	DDGD	
CC(C)(CC(=O)NNC(=O)N1CCOCC1)c1ccccc1	194906178	USIDUNYGCCVWMM-UHFFFAOYSA-N	305.378	1.427	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCc1cncn1C)c1ccccc1	193221374	MTXKDHXVNYMVRV-HNNXBMFYSA-N	314.389	1.694	50	20	DDGD	
CCCCC[C@@H](C)NC(=O)NNC(=O)Cn1nc(C)cc1C	42993783	MCVDRXPGSQISAY-LLVKDONJSA-N	309.414	1.799	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@H](C)N2CCC[C@@H](C)C2)n1	46366831	GIAZFRGHQFNPPR-NEPJUHHUSA-N	322.413	1.232	50	20	DDGD	
CO[C@@H](C)CS(=O)(=O)NNC(=O)c1cccc2ccccc12	193330465	DYAMQDCHZGHPPM-NSHDSACASA-N	322.386	1.439	50	20	DDGD	
Cc1cc(C)nc(NC(=O)C(=O)NNC(=O)c2ccccc2)c1	193778270	XJLSVDHUOMNOCM-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
CC1(C)C[C@@H]1C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1	93176136	MUASZHYPINVSIR-LLVKDONJSA-N	323.780	1.150	50	20	DDGD	
CC(C)(C)OC(=O)CCNC(=O)NNc1cccc([N+](=O)[O-])c1	266751315	FMQSWRNBBJQLBS-UHFFFAOYSA-N	324.337	1.953	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)c2ccccc2C)C[C@@H](C)O1	264693089	FAKIXIUTQLLHLM-OLZOCXBDSA-N	305.378	1.849	50	20	DDGD	
O=C(NCc1cccc(-n2cncn2)c1)NNc1ccccn1	363233263	DWVCCZONAAKECH-UHFFFAOYSA-N	309.333	1.489	50	20	DDGD	
CC(C)(C)OC(=O)CCC(=O)NNC(=O)NCC(F)(F)F	278291454	BDDUKIGFOIIOMY-UHFFFAOYSA-N	313.276	1.001	50	20	DDGD	
Cn1cc2c(n1)CCC[C@H]2C(=O)NNC(=O)Nc1ccccc1	367277151	HFOPGYXZSNZFCX-GFCCVEGCSA-N	313.361	1.693	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2CCN3CCCC[C@@H]23)nc1	275964797	MWZDUGUFCMSEFJ-OLZOCXBDSA-N	305.382	1.343	50	20	DDGD	
Cn1nc([C@@H]2CCCO2)cc1NC(=O)NNC(=O)C1CCC1	279086152	UTOIXWLZIOOFRC-NSHDSACASA-N	307.354	1.224	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)CCc2nc(N(C)C)no2)c1	275718564	RNUMEWAPZMLKLC-UHFFFAOYSA-N	303.366	1.828	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	278783883	XXOIVWGZGXKUFN-CXAGYDPISA-N	320.389	1.545	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCS1(=O)=O	275084841	SSZNXJIUGDCYHN-NSHDSACASA-N	313.335	1.005	50	20	DDGD	
CNC(=O)c1ccc(OC)c(NC(=O)NNC(=O)CC(C)C)c1	273527548	YIUSVPQKYKZXMV-UHFFFAOYSA-N	322.365	1.254	50	20	DDGD	
CC(C)(C)OC(=O)C(=O)NNc1nc(-c2ccccc2)no1	274070084	KNHGSULWBHYSBM-UHFFFAOYSA-N	304.306	1.521	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2noc3c2CCCC3)n1	272570965	LDFITMJNFADTDA-UHFFFAOYSA-N	308.729	1.336	50	20	DDGD	
CS[C@@H](C)CC(=O)NNC(=O)c1ccc(Cl)cc1O	270552511	ZAHULFXMUMZIDC-ZETCQYMHSA-N	302.783	1.948	50	20	DDGD	
COCCC1(CNC(=O)NNc2cccc(C(=O)OC)c2)CC1	272699348	YDJHHZYDPCACTF-UHFFFAOYSA-N	321.377	1.916	50	20	DDGD	
CCOC(=O)C[C@H](C)CNC(=O)NNc1cncc(Cl)n1	270486770	FNKQNQRXWTXGNV-QMMMGPOBSA-N	315.761	1.345	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@]12CCOC2)c1cccc2ncccc12	375182133	JPEFEJVKLROJPF-CXAGYDPISA-N	311.341	1.422	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H]2C[C@@]23CCOC3)c(C)c1	373403877	AMIDLPVWNFSLJQ-CXAGYDPISA-N	317.389	1.289	50	20	DDGD	
C[C@@H](CF)NC(=O)NNC(=O)c1cccc(Br)c1	288812144	JJOKFIRKWPTREU-ZETCQYMHSA-N	318.146	1.751	50	20	DDGD	
CC(C)[C@H](NC(=O)NNc1ncccc1F)c1nncn1C	287093378	VZSJWTVIAVPFRR-JTQLQIEISA-N	307.333	1.373	50	20	DDGD	
CC(C)n1ccc(NC(=O)C(=O)NNC(=O)CC2CCCC2)n1	280972585	IFKFYCBZSCWIRK-UHFFFAOYSA-N	321.381	1.130	50	20	DDGD	
CCN1C[C@@H](C(=O)NNC(=O)Nc2ccc(Cl)cc2)CC1=O	283774832	QAPBKAYQTKGIQA-VIFPVBQESA-N	324.768	1.361	50	20	DDGD	
COC(=O)C(C)(C)CCNC(=O)NNC(=O)c1ccc(C)o1	287031704	SJRFYEOYNMYKJO-UHFFFAOYSA-N	311.338	1.121	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](c2nncn2C)C(C)C)o1	805766457	KCEZXXWCIWGILO-NSHDSACASA-N	320.353	1.058	50	20	DDGD	
COCCN(C)NC(=O)c1cccc(NC(=O)OC(C)(C)C)n1	297175200	UCMUSOJPLIAPSH-UHFFFAOYSA-N	324.381	1.652	50	20	DDGD	
CCS(=O)(=O)c1ccc(C(=O)NNc2cccc(F)n2)cc1	804771070	FMURUNYUKKLUJU-UHFFFAOYSA-N	323.349	1.771	50	20	DDGD	
O=C(NCCOCc1ccccc1)NNC(=O)[C@@H]1CCCCO1	296270666	BFYVAXGIZITBEI-AWEZNQCLSA-N	321.377	1.103	50	20	DDGD	
O=C(Cc1c(F)cccc1F)NNC(=O)N=c1cc[nH]cc1	802025116	SNDCNPVOFFWLJI-UHFFFAOYSA-N	306.272	1.177	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	801111084	KQSOQRZFQPFYOB-AAEUAGOBSA-N	321.377	1.142	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccnc(N2CCC[C@H](C)C2)c1	291568262	SKVHJDFYJCLZJA-LBPRGKRZSA-N	319.409	1.670	50	20	DDGD	
CC1(Cn2cc(C(=O)NNc3cccc(Cl)n3)nn2)COC1	293738201	RBVHFYOIWGSXPT-UHFFFAOYSA-N	322.756	1.120	50	20	DDGD	
CCn1ccnc1C(=O)NNC(=O)CCc1ccc(OC)cc1	292679239	MLMQCKDANUTCEV-UHFFFAOYSA-N	316.361	1.305	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cc(C3CC3)[nH]n2)cc1	802061344	MANFOLUNIIXMDQ-UHFFFAOYSA-N	315.333	1.762	50	20	DDGD	
CCCNC(=O)CCC(=O)NNc1cccc(NC(C)=O)c1	293872165	HWRTZQGZOKRXSJ-UHFFFAOYSA-N	306.366	1.395	50	20	DDGD	
O=C(NNc1ncncc1F)N[C@@H]1C[C@H]1Cc1ccccc1	292502687	COBIXIJMMDKCFE-DGCLKSJQSA-N	301.325	1.873	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H]2CC(=O)N(C(C)C)C2)cc1	297304835	QPGIRKLFNWZOKL-CYBMUJFWSA-N	320.393	1.721	50	20	DDGD	
Cc1cc2ccccc2n1CC(=O)NNC(=O)N=c1cc[nH]cc1	802032508	VJMFXKVRAMRJNG-UHFFFAOYSA-N	323.356	1.620	50	20	DDGD	
COCCN(C)NC(=O)Cc1csc(-c2ccccc2)n1	297130684	PVYJJBKRQIIAJZ-UHFFFAOYSA-N	305.403	1.962	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)c2ccccn2)ccnc1Cl	810287685	SOBKGJMTUAXTJL-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2c(F)ccnc2F)cc1	816819716	NORRYUFPPIRYLD-UHFFFAOYSA-N	321.283	1.508	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(C)c(C(=O)OC)c2)n[nH]1	816689015	POEBMTWRQXHIIZ-UHFFFAOYSA-N	302.334	1.824	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1cn(-c2ccccc2)nn1	814787708	RETXQKVOZFCHQY-UHFFFAOYSA-N	323.360	1.382	50	20	DDGD	
O=C(CNC(=O)C1CC1)NNc1ccnc2cc(Cl)ccc12	729515625	JJFZXXMWAWJHTA-UHFFFAOYSA-N	318.764	1.858	50	20	DDGD	
O=C(NNC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)NC1CC1	729343167	IVMXMKMXFWBEFA-UHFFFAOYSA-N	319.752	1.837	50	20	DDGD	
CN(C)C(=O)NNC(=O)C1CCC(OC[C@H]2CCCO2)CC1	815147309	SKPNAOZDWAYPRR-WXRRBKDZSA-N	313.398	1.043	50	20	DDGD	
O=C(NN=C1CC(C(=O)O)(c2ccccc2)C1)c1cccnc1	814686895	FYFAUZUNBWWCBK-UHFFFAOYSA-N	309.325	1.984	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1O)c1ccnc(O)c1	814952973	RHIKEQVMICNSBU-UHFFFAOYSA-N	301.302	1.412	50	20	DDGD	
C[C@@H](NS(C)(=O)=O)C(=O)NN=C(Cc1ccccc1)C1CC1	729145558	URMFMQANXSQETN-LLVKDONJSA-N	323.418	1.049	50	20	DDGD	
CCN(CCO)NC(=O)CCOc1ccc(F)cc1Cl	823852687	MZDDSJKUXVNOLE-UHFFFAOYSA-N	304.749	1.593	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CCCc2cccs2)n[nH]1	823956716	WQJVKFBTCAYGRA-UHFFFAOYSA-N	306.391	1.492	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N(C)[C@@H](C)c1ccccc1	827314630	HQWGXRYMXOARTG-SGMGOOAPSA-N	305.378	1.845	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)Nc1ccccc1C(=O)O	821451689	IFDLHOSWNOEAHD-UHFFFAOYSA-N	307.697	1.977	50	20	DDGD	
COC(=O)c1occc1/C=C(/C#N)C(=O)NCCCOC(C)C	490587799	JSALASZNOSLCCD-LCYFTJDESA-N	320.345	1.904	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc(F)ccc1F	726076249	VBQJXABDSHQOTJ-UHFFFAOYSA-N	317.361	1.452	50	20	DDGD	
Cc1cc(CCC(=O)NNCC(F)(F)C(F)(F)F)no1	827488363	PIPBPQYQYBKMHK-UHFFFAOYSA-N	301.215	1.734	50	20	DDGD	
C[C@@H](CNC(=O)/C(C#N)=C/c1ccc(F)cc1)S(C)(=O)=O	490839092	CCYKNSDKKASUIO-QVIVLVACSA-N	310.350	1.282	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(C)o1	496377030	RDHOCHGPBZFALB-ZDUSSCGKSA-N	319.361	1.955	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccccc2)CCOCC1)NC1CC1	822781415	AGRQPMMVNOTHHW-UHFFFAOYSA-N	317.389	1.519	50	20	DDGD	
Cc1cnc([C@H](C)NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)s1	826131937	XUMVTIDJEJIQII-LPEHRKFASA-N	312.395	1.268	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNc1ccc(-c2nn[nH]n2)cc1	826423011	VABQOOPCJVPFMS-UHFFFAOYSA-N	312.308	1.692	50	20	DDGD	
CN(C(=O)/C(C#N)=C\c1cnn(C)c1)C1Cc2ccccc2C1	490975421	PGDIHENOXFXUAT-APSNUPSMSA-N	306.369	1.953	50	20	DDGD	
O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NNc1ccccc1Cl	729618983	NQGYNWKRKHHRGO-VXGBXAGGSA-N	324.812	1.829	50	20	DDGD	
C[C@@H]1CCC[C@H]2CCCN(C(=O)c3ccc(B(O)O)cc3)[C@H]21	584933219	FNHSGBKFBMEKLU-WWGRRREGSA-N	301.195	1.407	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H](C(=O)NNc1cccnn1)C1CCC1	496041791	GUNFCTDLHQPDJP-LBPRGKRZSA-N	321.381	1.613	50	20	DDGD	
COc1ccc(-c2ccncc2)cc1CN1CC[C@H](B(O)O)C1	585076695	PKQGTJQPTSXONA-INIZCTEOSA-N	312.178	1.806	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)C1CC2(CC2)C1	820165851	ZPTJOXCHHXVIOP-UHFFFAOYSA-N	309.460	1.976	50	20	DDGD	
O=C(Cc1ccccc1F)NNc1nc(-c2cccnc2)no1	728076073	WVDKSQXMURDLJA-UHFFFAOYSA-N	313.292	1.957	50	20	DDGD	
Cc1ccn(CC(=O)NNC(=O)c2cc3c(s2)CCC3)n1	822201328	BEACBBWUAQDMOU-UHFFFAOYSA-N	304.375	1.203	50	20	DDGD	
CCCCC[C@H](O)C(=O)NNC(=O)c1cccc(N(C)C)c1	822223104	HDBDDSXHDONZGJ-AWEZNQCLSA-N	307.394	1.455	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@H](CO)CN1CCCC1	908206923	VFJGYGDIGDENFS-IDJPSDCMSA-N	317.364	1.306	50	20	DDGD	
O=C(N[C@@H]1C[C@]12CCCc1ccccc12)c1ccc(B(O)O)cc1	584965241	OIDVWRAWNBPHRL-MJGOQNOKSA-N	321.185	1.143	50	20	DDGD	
CCCC(=O)N1CCC[C@H]1C(=O)NN(C)C(=O)OC(C)(C)C	496086216	ZUYQLJDRTVMVHH-NSHDSACASA-N	313.398	1.676	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C)Cc1c(F)cccc1Cl	827298892	NLXLSQQWNIRQQX-UHFFFAOYSA-N	315.776	1.714	50	20	DDGD	
CCN(CCO)NC(=O)c1c[nH]nc1-c1ccccc1Cl	823865659	WGUDSCRXFXUVTN-UHFFFAOYSA-N	308.769	1.689	50	20	DDGD	
COc1ccc2nc(C)c(C(=O)NN(C)[C@H](C)CO)cc2c1	823982584	BDZPJHBUDQCVFC-SNVBAGLBSA-N	303.362	1.509	50	20	DDGD	
C[C@]1(C(=O)NCCS(=O)(=O)CC2CC2)C[C@@H]1Br	907046100	VXMXSXNQSFDGFH-ONGXEEELSA-N	324.240	1.101	50	20	DDGD	
Cc1nnnn1-c1ccc(C(=O)NNC(=O)OC(C)(C)C)cc1	497269767	RDRRSYZTIOROTC-UHFFFAOYSA-N	318.337	1.140	50	20	DDGD	
COc1ccc(CC(=O)NN(C)[C@H](C)CO)c(Cl)c1OC	823917281	GYXFTJVTFAIMRG-SECBINFHSA-N	316.785	1.244	50	20	DDGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccc(-c2nn[nH]n2)[nH]1	826447334	AJCPMIIAKOUEDJ-UHFFFAOYSA-N	321.703	1.744	50	20	DDGD	
Cc1ccc(OCC(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1	826291950	CFHNVZCLZSMKGQ-UHFFFAOYSA-N	324.344	1.697	50	20	DDGD	
CC[C@H]1C[C@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCO1	825182923	MMJWNFUMMGQPRT-YPMHNXCESA-N	316.365	1.515	50	20	DDGD	
CC[C@@H](CCc1ccccc1)NC(=O)c1ccc(B(O)O)cc1	585010272	LVBKXGLHMZQTSW-KRWDZBQOSA-N	311.190	1.508	50	20	DDGD	
Cc1c(Cl)ccc2c(CC(=O)NNC(=O)C(C)(C)O)coc12	907627612	SBOKOTJAOTWYQI-UHFFFAOYSA-N	324.764	1.855	50	20	DDGD	
CC(C)[C@H](NC(=O)O)C(=O)NNc1cccc(C(F)(F)F)n1	736375827	QHPUYGPCKLFDIJ-VIFPVBQESA-N	320.271	1.836	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)CCCN(C)C(=O)O)o1	736522192	BQBCLKZLZGPCHX-UHFFFAOYSA-N	309.326	1.503	50	20	DDGD	
CCCN1CCC[C@@H](C(=O)NNc2nc3ccccn3n2)C1	907696912	CGMNTBPQVXWLCI-GFCCVEGCSA-N	302.382	1.294	50	20	DDGD	
O=C(/C=C\C1CCOCC1)NNc1nc(-c2ccncc2)no1	491872798	XEHUYEHTDIINIE-UPHRSURJSA-N	315.333	1.558	50	20	DDGD	
COC(=O)[C@@H](C)Oc1ccccc1C=NNC(=O)NC(C)C	901177065	OKUUHBPMDDVANU-LLVKDONJSA-N	307.350	1.668	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C(F)(F)F)[nH]1	838061297	MTCBQUKVOCPVKZ-LURJTMIESA-N	321.255	1.136	50	20	DDGD	
CC(C)(C)N1C[C@@H](C(=O)NNc2ncccc2Cl)CC1=O	734246605	JIDXMWGFVJXGIC-VIFPVBQESA-N	310.785	1.825	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C(C)c1ccncn1	834922467	RJBFUORBIOYPKQ-UHFFFAOYSA-N	314.345	1.795	50	20	DDGD	
C[C@@H](NCc1ccccc1B(O)O)c1cccc(OC(F)F)c1	585015622	HPSDWRXWJACROJ-LLVKDONJSA-N	321.132	1.819	50	20	DDGD	
C=CCOC[C@H](NC(=O)[C@@]1(C)C[C@@H]1Br)C(=O)OC	907929699	LFBWAKDXCCKXKZ-AUTRQRHGSA-N	320.183	1.020	50	20	DDGD	
Cc1ccc2ccccc2c1S(=O)(=O)N1CC[C@H](B(O)O)C1	585057076	JZMZWFKFTCTWGU-ZDUSSCGKSA-N	319.191	1.386	50	20	DDGD	
CCCNC(=O)NNC(=O)Cc1coc2c(F)c(F)ccc12	906424565	HYJOWNMIEQZUPI-UHFFFAOYSA-N	311.288	1.994	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)N=c1cc[nH]cc1)C1CCC1	836592014	BPTGZXVQCDGWMC-UHFFFAOYSA-N	305.382	1.666	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ncon1	832825929	MAIIGEKCCXEBEH-RNFRBKRXSA-N	306.244	1.199	50	20	DDGD	
Cn1cc(C=NNC(=O)O)c(-c2ccc3c(c2)OCCCO3)n1	830999698	LWMSHOIOIZUATO-UHFFFAOYSA-N	316.317	1.850	50	20	DDGD	
CO[C@H](CNC(=O)NNc1ncc(F)cc1F)C(F)(F)F	838472299	NZDHMSPDTJODFI-SSDOTTSWSA-N	314.214	1.563	50	20	DDGD	
CC(C)(C)Oc1ccccc1CNCc1ccc(B(O)O)cc1	585026889	LQMFJQZSVAIQLM-UHFFFAOYSA-N	313.206	1.834	50	20	DDGD	
COCCC[C@H](Cc1ccccc1)NCc1ccc(B(O)O)o1	585039863	ZDUMIPUGEOCQQP-OAHLLOKOSA-N	317.194	1.087	50	20	DDGD	
C[C@]1(C(=O)NCc2cccc(C(N)=O)c2)C[C@H]1Br	906020781	FHOMJYRUZOMQPG-MFKMUULPSA-N	311.179	1.575	50	20	DDGD	
CO[C@H]1COCC[C@H]1CNC(=O)NNc1cccc(Cl)n1	836571356	AIOMQTHDDCKHPX-UWVGGRQHSA-N	314.773	1.413	50	20	DDGD	
O=C(NN=C1CCc2cc(F)c(F)c(F)c21)C(=O)NC1CC1	834932426	FJNQZSWBHBVQGI-UHFFFAOYSA-N	311.263	1.149	50	20	DDGD	
C[C@H]1CC(=O)Nc2ccc(C(=O)NNC(=O)C3CCC3)cc2N1	906643570	HBPMXLCNSIHGFO-VIFPVBQESA-N	316.361	1.390	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCCc3sc(Cl)cc32)o1	585043637	RGRMOVRYPMZSKB-SNVBAGLBSA-N	311.599	1.842	50	20	DDGD	
COCCOc1ccc(C=NNC(=O)[C@@H]2CCCCO2)cc1	834990282	VJESHVLEJLBOMK-HNNXBMFYSA-N	306.362	1.731	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)N[C@@H]1CC12CCOCC2	836613115	PHHUVTZPAOXRFI-SNVBAGLBSA-N	319.390	1.887	50	20	DDGD	
CC(C)CN(CC(=O)NNC(=O)C(C)(C)C)Cc1cnn(C)c1	839132726	QOAGFLCABXDYNS-UHFFFAOYSA-N	323.441	1.072	50	20	DDGD	
CCCN1C[C@H](C(=O)NNc2cc(C#N)cc(Cl)n2)CC1=O	839717446	MJKHPVJESITBMY-SNVBAGLBSA-N	321.768	1.308	50	20	DDGD	
CN(C)CCCNC(=O)NNC(=O)Nc1cc(F)cc(F)c1	837317588	OXEFKFKWMNZGIK-UHFFFAOYSA-N	315.324	1.252	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2(C(=O)C3CC3)CC2)cc1F	837054281	XAYNLIZEYQZWKF-UHFFFAOYSA-N	320.320	1.815	50	20	DDGD	
Cc1oc(-c2ccccc2F)nc1C(=O)NN(C)C[C@H](C)O	910163189	NKFGYPNNVFZHEG-VIFPVBQESA-N	307.325	1.747	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)N[C@H]1CC12CCNCC2	831173121	NTLUHCDBYXHUMS-LBPRGKRZSA-N	305.338	1.363	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@H]2CCCCO2)cc2n[nH]cc12	836483531	VURJIXMOVVBGCJ-CYBMUJFWSA-N	317.349	1.593	50	20	DDGD	
COc1ccc(-c2cncc(C(=O)NN(C)C[C@@H](C)O)c2)cc1	910166198	OKAUJOXOSNRIMD-GFCCVEGCSA-N	315.373	1.715	50	20	DDGD	
COC(=O)C12CC(C(=O)NNc3cccc([N+](=O)[O-])c3)(C1)C2	843831641	NEWBVIVBQBVCQG-UHFFFAOYSA-N	305.290	1.381	50	20	DDGD	
CCC(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)ccc1F	843660977	LYWBOABKGNMXIR-GXSJLCMTSA-N	322.336	1.604	50	20	DDGD	
O=C(CCCCN1CCCC1)NNC(=O)c1cccc(Cl)n1	912508980	YKJQIGYEMZXNGU-UHFFFAOYSA-N	324.812	1.762	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NC[C@H]1CCCNC1=O	840331699	MSDMCDJQNAXHML-YFBAIUBQSA-N	301.321	1.375	50	20	DDGD	
CCC[C@H](NC(=O)NNC(=O)Cc1cccnc1)C1CCC1	841578783	XAOMHAQDIJKGBI-AWEZNQCLSA-N	304.394	1.923	50	20	DDGD	
C[C@H]1CC(C)(C)CC[C@H]1NC(=O)NNC(=O)c1ncccn1	841579637	OGTOOEYMWVELGV-WDEREUQCSA-N	305.382	1.635	50	20	DDGD	
O=C(CCCOc1cccnc1)NNC(=O)NCC(F)(F)F	743823228	PNLGQGIGDGZRPF-UHFFFAOYSA-N	320.271	1.133	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1CCCc2cc(N)ccc21	841979661	QZWSPJTXEHTENK-ZDUSSCGKSA-N	306.366	1.013	50	20	DDGD	
CS(=O)(=O)Nc1ccc(C(=O)NNc2cccc(F)c2)cc1	748098930	MKQQPHCMMSLJKA-UHFFFAOYSA-N	323.349	1.954	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)C(C)(C)c2ccccc2)CCN1	841984230	ACQOMTMAZATGGF-OCCSQVGLSA-N	318.421	1.435	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)n1	740113956	MJXFABQGRRMJNM-STQMWFEESA-N	315.352	1.929	50	20	DDGD	
CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NN	841869137	YOFCXGWPTLONFO-OIBJUYFYSA-N	302.172	1.698	50	20	DDGD	
CCN(CCOCCO)C(=O)NC[C@@]1(C)C[C@@H]1Br	856959891	ZGAGDAKYICOHLQ-CMPLNLGQSA-N	323.231	1.200	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccccn2)c(O)nc2ccccc12	749323386	QNAKASFEDCEVGH-UHFFFAOYSA-N	322.324	1.719	50	20	DDGD	
COC(=O)c1csc(C(C)=NNC(=O)[C@H]2CCO[C@H]2C)c1	842558004	FLPMWKFPCFKSSX-ONGXEEELSA-N	310.375	1.800	50	20	DDGD	
CCNC(=O)NNC(=O)c1c(C)nc(C2CC2)nc1SC	746166642	BVIPYFLDQUITSP-UHFFFAOYSA-N	309.395	1.348	50	20	DDGD	
Cn1nnc2c1C[C@@H](C(=O)NNc1cc(F)cc(Cl)c1)CC2	855620468	VXYIKQOMYHQNAF-QMMMGPOBSA-N	323.759	1.856	50	20	DDGD	
CC(=NNC(=O)Cn1nc(C)cc1C)c1cc(O)cc(O)c1	753690299	KOPDRFNDHVQPPV-UHFFFAOYSA-N	302.334	1.452	50	20	DDGD	
NC(=O)c1cc(C(=O)NNC(=O)c2cc3c(s2)CCC3)co1	758996200	HKQSNWKYQFPSAJ-UHFFFAOYSA-N	319.342	1.004	50	20	DDGD	
N#CCCn1ccc(NC(=O)NNC(=O)c2ccccc2F)n1	756656429	XSCTWKYXINNHMC-UHFFFAOYSA-N	316.296	1.402	50	20	DDGD	
O=C(O)COc1ccccc1C=NNC(=O)NCc1ccco1	920825675	VYCMONZTTAACBA-UHFFFAOYSA-N	317.301	1.576	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H](C)CC(=O)c1ccc(Cl)cc1	759369232	IJEDUTGHIJVVHO-VIFPVBQESA-N	311.769	1.899	50	20	DDGD	
CC(CN1C(=O)CCC1=O)=NNC(=O)c1c[nH]c2ccccc12	754895238	LANQPJIMVLZFHQ-UHFFFAOYSA-N	312.329	1.423	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@@H]2CCN(C(C)C)C2)c1	858279252	WFSJIOJKUHPPFW-LBPRGKRZSA-N	324.450	1.731	50	20	DDGD	
CNC(=O)NN=Cc1ccc(OCC(F)(F)F)c(OC)c1	750936411	RWDCRGDANIRKBR-UHFFFAOYSA-N	305.256	1.899	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1cnc2n1CCCCC2	857708760	XZWYURCKHNKAQQ-UHFFFAOYSA-N	317.349	1.347	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)c2cccc(F)c2Cl)nn1	757401197	CINWBHKCQONNMM-UHFFFAOYSA-N	309.688	1.125	50	20	DDGD	
N#CSCCCNC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1	854363143	NGFKAEJPMZUNMR-GFCCVEGCSA-N	309.435	1.888	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@@]1(C(=O)O)CCOC1	852958160	FKLMJOIQELZMRT-HQJQHLMTSA-N	308.172	1.156	50	20	DDGD	
C[C@@H](O)CC(C)(C)CNC(=O)NNc1ncc(Cl)cn1	856868393	BGSMYJQRKOONGI-MRVPVSSYSA-N	301.778	1.553	50	20	DDGD	
COC[C@H](C)Oc1ccc(C=NNC(=O)c2ccnnc2)cc1	853360189	XNLQVOMPSJSWIT-LBPRGKRZSA-N	314.345	1.654	50	20	DDGD	
COc1ccc(CCC(=O)NN=Cc2cnc(C)n2C)cc1	853292600	UKPYZQWTYFLUCE-UHFFFAOYSA-N	300.362	1.820	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](C)C[C@@H]1CCOC1	759718712	OJUJRZQGWAKUAI-STQMWFEESA-N	305.378	1.754	50	20	DDGD	
COC[C@@H](C)Oc1ccc(C=NNC(=O)c2cnn(C)c2)cc1	853309064	GATKZRSZIHCCFL-GFCCVEGCSA-N	316.361	1.598	50	20	DDGD	
CCOc1nc2sccn2c1C=NNC(=O)c1cnn(C)c1	753933363	XMDWYYRTTNOHCR-UHFFFAOYSA-N	318.362	1.292	50	20	DDGD	
O=C(NNC(=O)c1cc(Br)c[nH]1)N[C@@H]1C=CCC1	851918245	ZKKVNTPPPLPZFE-MRVPVSSYSA-N	313.155	1.440	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=C[C@@H]1CCCC(C)(C)C1	752735195	UNLPQSZOJUEBBS-WDEREUQCSA-N	303.428	1.243	50	20	DDGD	
CCN(CCNC(=O)NNC(=O)c1cc(C)cs1)C1CC1	858194240	AWHFILQTQWLSCQ-UHFFFAOYSA-N	310.423	1.485	50	20	DDGD	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NNC(=O)c1cc[nH]n1	855357527	KIQGQKDVJMHZPZ-LOWVWBTDSA-N	308.382	1.545	50	20	DDGD	
NS(=O)(=O)CCCCCC(=O)NNc1ccc(Cl)cn1	856091625	RLRNCQBVEAENPJ-UHFFFAOYSA-N	320.802	1.027	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)C[C@@H]1CC[C@H]2C[C@@H]12	855825341	BIRCMISBZKJLGU-RWMBFGLXSA-N	323.437	1.513	50	20	DDGD	
C[C@@]1(CNC(=O)NCC2=CCNCC2)C[C@@H]1Br	857103454	JMSJSOALXLKUJY-JQWIXIFHSA-N	302.216	1.379	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)C(C)(C)C)c1ccncc1	853410637	TXEIOZDEDRDZRW-UHFFFAOYSA-N	304.394	1.864	50	20	DDGD	
CC(C)NC(=O)CCCC(=O)NC[C@@]1(C)C[C@H]1Br	857400610	IGNPXNNJQZXONJ-ZWNOBZJWSA-N	319.243	1.971	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCO2)c1cc(O)cc(O)c1	753693491	VDLQPXABVIIQQX-UHFFFAOYSA-N	314.297	1.981	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@@H]2CCCOC2)C[C@H]1Br	856826188	TXXCVCXRTVCAEM-HOSYDEDBSA-N	305.216	1.886	50	20	DDGD	
C[C@@H]1CC/C(=C\C(=O)OCC(=O)NNC(=O)c2cccs2)C1	754184126	CZLXDOHNCSDNOC-MXBGMFSPSA-N	322.386	1.799	50	20	DDGD	
COC(=O)N(C)CCNC(=O)[C@H](Br)C(C)(C)C	855941865	HKTGIMGRDUINBX-QMMMGPOBSA-N	309.204	1.610	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1ccc([N+](=O)[O-])o1	755183565	YWJAXUPOCNORSU-UHFFFAOYSA-N	317.183	1.754	50	20	DDGD	
CCCOc1cccc(NC(=O)NNC(=O)c2cnccn2)c1	755660845	ZRTFWTIZIYDQEV-UHFFFAOYSA-N	315.333	1.732	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2cc3ccccc3cc2O)CCOC1	757720650	WPSXLUUGRSJFJY-KRWDZBQOSA-N	314.341	1.733	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)C(=O)Nc2ccccn2)C12CCC2	758391264	YRCRZCJEIYJOKW-LBPRGKRZSA-N	316.361	1.471	50	20	DDGD	
Cc1nonc1CNC(=O)NC[C@@]1(C)C[C@@H]1Br	856956201	PDMCJNIALOPGTL-WCBMZHEXSA-N	303.160	1.351	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cc(F)cc(F)c1OC	930391675	CKZHROGPSJAJDB-UHFFFAOYSA-N	311.288	1.930	50	20	DDGD	
CSc1ccc(NC(=O)NNC(=O)c2cnccn2)cc1	755558252	PQTSVSBONFQDIK-UHFFFAOYSA-N	303.347	1.665	50	20	DDGD	
C[C@H](NNC(=O)c1ccc2c(c1)SCC(=O)N2)C(F)(F)F	862321623	ZAMDVKSDNUGWPX-LURJTMIESA-N	319.308	1.916	50	20	DDGD	
C[C@H](Oc1cccnc1)C(=O)NNCC(F)(F)C(F)(F)F	863094988	BHUVGDPOXSNBII-ZETCQYMHSA-N	313.226	1.667	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	868121151	IIFISOBEOAOMIU-UHFFFAOYSA-N	309.322	1.383	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NNC(=S)Nc1cc(C)ccc1F	865273031	UNWZZXSAYJGBOK-CABZTGNLSA-N	311.382	1.877	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)C1(c2cccc(Cl)c2)CCC1	768246059	IMUUIOMKQFBRKI-UHFFFAOYSA-N	310.781	1.680	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1c(C)cc(C)cc1Cl	765413543	JOZOQZVVMPFQNN-UHFFFAOYSA-N	313.741	1.673	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(C)c([N+](=O)[O-])c1	863145193	GYTLONMHFKHOJA-NSHDSACASA-N	304.306	1.022	50	20	DDGD	
COC(=O)[C@]1(C)CCCN1S(=O)(=O)CC(C)(C)CCl	867130478	KZVSCJNUCGRBHY-LBPRGKRZSA-N	311.831	1.609	50	20	DDGD	
CCCCC(=O)N1CSC[C@H]1C(=O)NNc1cccc(C)n1	862523289	XKFCMZDONUNKAA-LBPRGKRZSA-N	322.434	1.925	50	20	DDGD	
CC[C@H]1CO[C@@H](C)CN1CC(=O)NNC(=O)c1ccc(C)cc1	762274472	ZPZUQUUHTYKEHN-ZFWWWQNUSA-N	319.405	1.255	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ncc3n2CCCC3)cc1	865053575	MYEVVAFYUFZFTF-UHFFFAOYSA-N	309.329	1.166	50	20	DDGD	
N#C/C(=C/c1cn(-c2ccc(F)cc2)nn1)C(=O)N1CCCC1	863177512	NDRJDYWZILMPSI-XFXZXTDPSA-N	311.320	1.936	50	20	DDGD	
COCC(COC)NC(=O)NNc1nc2c(C)cccc2s1	868675147	AXCCGLIUKOVAKN-UHFFFAOYSA-N	324.406	1.892	50	20	DDGD	
C[C@@H](NNC(=O)CCN(C)C(=O)OC(C)(C)C)C(F)(F)F	862319936	NFCZNFOMSBWTKO-MRVPVSSYSA-N	313.320	1.815	50	20	DDGD	
CCC(=O)N1CCC[C@H](C(=O)NNc2nc3ccccc3[nH]2)C1	768496446	RSHDUGQHQHIXPT-NSHDSACASA-N	315.377	1.655	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(Cl)c2ncccc12	763441741	ZCWYYPNCLNACQG-UHFFFAOYSA-N	320.736	1.384	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2(c3ccccn3)CC2)nc1	867016424	TUJNTDAHHIVHQX-UHFFFAOYSA-N	312.329	1.438	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)c2cnn(C3CC3)c2)cc1	862122747	JQYZGRDXBZYBHF-UHFFFAOYSA-N	314.345	1.690	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2cn[nH]c2)Cc2ccccc2O1	1118863981	JFDTXKXBSZMQBR-SNVBAGLBSA-N	315.333	1.047	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)c1ccnn1C	766025009	GYACLGNBGJHVCQ-UHFFFAOYSA-N	301.306	1.664	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)[C@@H](C)N(C)C)n[nH]2)cc1	874060085	IAVKLLUUPQAXQH-LLVKDONJSA-N	315.377	1.096	50	20	DDGD	
COC1(C=NNC(=O)[C@@H]2COc3ccccc3O2)CCOCC1	761742675	CKHVTXOZZXFLKH-AWEZNQCLSA-N	320.345	1.124	50	20	DDGD	
CCCOCC(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874950517	DVPIUHZRAPXDMX-UHFFFAOYSA-N	310.423	1.497	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCc1cc(C)cc(C)c1	772236283	LUTZWMKFYFGXJA-CYBMUJFWSA-N	320.389	1.725	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)COC2(C)CCC2)nc1C	778422116	VAHITMNFLJNCAG-UHFFFAOYSA-N	322.365	1.364	50	20	DDGD	
CCc1cnccc1CNC(=O)NNC(=O)Cc1cccnc1	778649115	HLJVEIWXGQVORZ-UHFFFAOYSA-N	313.361	1.112	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)C(C)(C)CN1CCOCC1	873814595	GTYAKXSOKTUSLF-UHFFFAOYSA-N	319.405	1.114	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=C1COc2cc(O)ccc21	777905673	JUEGOIVZQLMPSR-UHFFFAOYSA-N	321.333	1.130	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c(C)c1	779865163	NGOKAOXZDDPHGI-UHFFFAOYSA-N	313.313	1.502	50	20	DDGD	
C[C@@H]1CN(C(=O)C(=O)NC[C@]2(C)C[C@H]2Br)C[C@@H]1C	1118764832	OXDGSPPSVHGTBF-COMAGPEQSA-N	317.227	1.391	50	20	DDGD	
O=C(NNc1ccccc1OC(F)(F)F)c1n[nH]c(O)n1	779443702	BHDOACJIUNPEHH-UHFFFAOYSA-N	303.200	1.166	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1ccc(OC(F)F)cn1	776157261	RTXJVVVSSVDDFE-UHFFFAOYSA-N	321.247	1.106	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNC(=O)c2cccc(Cl)c2)cn1C	773709691	OBLJAMUNXBTBGN-UHFFFAOYSA-N	319.748	1.422	50	20	DDGD	
Cc1noc([C@@H]2CCCCN2S(=O)(=O)CCCCl)n1	882192981	BFWQAVXBWLBQIQ-JTQLQIEISA-N	307.803	1.864	50	20	DDGD	
CO[C@@]1(C(=O)NNC(=O)c2cccc(Cl)c2)CCSC1	887646160	TXPZBENDWPNTRB-ZDUSSCGKSA-N	314.794	1.623	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1ccn(CC(F)(F)F)n1	1120682210	VPEJZNDSFGOETB-UHFFFAOYSA-N	321.303	1.118	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CCCC(=O)[C@H]2C)cc(C#N)n1C	885036016	JXKOPEDLWZSIMY-AISSWFOISA-N	310.357	1.692	50	20	DDGD	
COCC(=O)NC1CCN(C[C@@H](C)CBr)CC1	770647574	HWWKMQDNHKWIEY-JTQLQIEISA-N	307.232	1.244	50	20	DDGD	
O=C(NN=Cc1cscc1Cl)[C@@H]1CCS(=O)(=O)C1	771877721	XCHXCSBENCJFIY-SSDOTTSWSA-N	306.796	1.286	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1ccc2ccccc2n1)C(C)C	777464377	LUYVIQHWKPZTHX-OAHLLOKOSA-N	300.362	1.839	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@@H](C)NC(=O)c1ccccc1	887139166	DNNDMWGHAHUCAS-CYBMUJFWSA-N	315.373	1.146	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCc2cccnc21)C1CCOCC1	883068735	GGTTZOLWTUAUCY-ZDUSSCGKSA-N	303.362	1.076	50	20	DDGD	
NC(=O)c1ccc(NS(=O)(=O)CCCCCl)c(F)c1	788058054	MYYMOGICBJEDIH-UHFFFAOYSA-N	308.762	1.685	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2c(F)cc(F)cc2F)CCC1	885150763	JKRQZFMUUZTOKH-UHFFFAOYSA-N	301.268	1.463	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2ccnc(N(C)C)c2)n1	880609139	JCGZZKWPPQGPMV-UHFFFAOYSA-N	301.354	1.703	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNc2cccc(C(F)(F)F)c2)n1	782017237	UCIPBNFKKCCYHA-UHFFFAOYSA-N	324.262	1.956	50	20	DDGD	
CC[C@H](Cc1cn(/C=C\CBr)nn1)C(=O)OC	881294766	CESZWWFJHXGBQA-XTULLQBASA-N	302.172	1.885	50	20	DDGD	
CC[C@@H]1C[C@H](CC(=O)NNC(=O)Cc2ccncc2)CCO1	781693164	JUOBNLIHYCKDPZ-ZIAGYGMSSA-N	305.378	1.367	50	20	DDGD	
COC(=O)c1csc(NC(=O)C(=O)NNc2ccccc2)c1	784770039	WWDSVWMECCFVQR-UHFFFAOYSA-N	319.342	1.617	50	20	DDGD	
CN1CCCC[C@@H](CNC(=O)NNc2cccc([N+](=O)[O-])c2)C1	897544613	UJLUSYJEVPRJJG-LBPRGKRZSA-N	321.381	1.953	50	20	DDGD	
CSSCCNC(=O)NC1CCN(C(=O)C2CC2)CC1	790668020	TZZWLKMPYIUJSB-UHFFFAOYSA-N	317.480	1.698	50	20	DDGD	
CN(C)C(=O)c1ccnc(NC(=O)NNc2ccccn2)c1	794284504	HIFZCARKFWMNCT-UHFFFAOYSA-N	300.322	1.327	50	20	DDGD	
COCCN([C@@H]1CC[C@H](C)C1)S(=O)(=O)CBr	790937287	WUIGIBLKJXEAKL-VHSXEESVSA-N	314.245	1.806	50	20	DDGD	
Cc1cccc(C(=O)NN=C2CCC[C@@H](S(C)(=O)=O)C2)n1	794567670	SGBXXPVCHCUAII-GFCCVEGCSA-N	309.391	1.463	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	799456810	ARWOGWHJKJUILL-UHFFFAOYSA-N	302.212	1.629	50	20	DDGD	
C[C@H](CBr)COC(=O)c1cnn2c1OCCC2	795723207	UGNIIQJNFQONGT-MRVPVSSYSA-N	303.156	1.853	50	20	DDGD	
CCS(=O)(=O)C[C@H](C)NC(=O)NCCSSC	790769812	ILVZDYQJGHOPDF-QMMMGPOBSA-N	300.471	1.120	50	20	DDGD	
Cc1cncc(CCC(=O)NNC(=O)c2ccc(Cl)nc2)c1	794230196	CMNJBOHWMXCICO-UHFFFAOYSA-N	318.764	1.832	50	20	DDGD	
C=C[C@H](NNC(=O)COc1ccc(C(C)(C)C)cc1)C(=O)OC	799974970	FWIWMTIQXJUSOY-AWEZNQCLSA-N	320.389	1.711	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1coc(C(C)C)n1	799473424	DVPOQMXGGQNDRY-LBPRGKRZSA-N	322.409	1.607	50	20	DDGD	
Cc1noc(C(F)F)c1C(=O)NNC(=O)NCC(F)(F)F	798314157	ZFVVJIMPZORGEO-UHFFFAOYSA-N	316.186	1.427	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1	791023778	RYGQHXSLEYGDSM-VIFPVBQESA-N	302.252	1.503	50	20	DDGD	
NS(=O)(=O)c1ccc(C(=O)NNc2cccc(F)c2)cc1	798334424	CQCWDKMVDDEGIU-UHFFFAOYSA-N	309.322	1.230	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCc3ccccc3C2)n1	793220341	NREJYZMLUBFFSR-UHFFFAOYSA-N	310.357	1.803	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1nncc(N)c1Cl)C(C)(C)C	1319209619	ZLMMRXSZAKCVAA-QMMMGPOBSA-N	316.793	1.399	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CCSCc1ccccn1	1317967692	UWOQJMRIYXBIJQ-UHFFFAOYSA-N	312.464	1.609	50	20	DDGD	
COc1cc(C(=O)NNC(=S)NC(C)C)ccc1[N+](=O)[O-]	1318278210	IAYIPOJVWLCFQJ-UHFFFAOYSA-N	312.351	1.121	50	20	DDGD	
CC(C)Nc1ncccc1C(=O)NNc1nncc(N)c1Cl	1319303061	ORVZAVKWITZWDZ-UHFFFAOYSA-N	321.772	1.684	50	20	DDGD	
Cc1cccc2nc(C(=O)NNC(=O)Cc3cccnc3)cn12	1318255256	AKUUTLQHISVKDS-UHFFFAOYSA-N	309.329	1.041	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1	1321016384	OMOUIHBCDVQHBO-CYBMUJFWSA-N	315.402	1.144	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccnnc2C)cc1	1321788978	NFGCYRBBSCABOX-UHFFFAOYSA-N	301.306	1.260	50	20	DDGD	
CC(C)CNC(=O)CNC(=O)NC[C@]1(C)C[C@@H]1Br	1328495637	YIIMJBULBKMSJL-CABZTGNLSA-N	320.231	1.231	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2C[C@@H](C)O[C@H](C3CC3)C2)c1	1328815951	VKSFOBBYBZLPFK-PWSUYJOCSA-N	323.418	1.910	50	20	DDGD	
CC(=O)c1ccc(NC(=O)C(=O)NNc2cc(C)ncn2)cc1	1320562465	QDLWRNPALVQQRW-UHFFFAOYSA-N	313.317	1.069	50	20	DDGD	
N#Cc1cccc(NNC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)c1	1331221576	ISIYCLLYYFAWJW-ZDUSSCGKSA-N	319.386	1.216	50	20	DDGD	
CC(=NNC(=O)C1CCOCC1)c1ccc2c(c1)OCCO2	1330915264	AZDAAVBWRVBDMK-UHFFFAOYSA-N	304.346	1.725	50	20	DDGD	
Nc1cnnc(NNC(=O)c2c(O)cccc2Cl)c1Cl	1333605461	MEGSXYBWNSBYMD-UHFFFAOYSA-N	314.132	1.828	50	20	DDGD	
COc1ccccc1C1(C(=O)N2CC[C@H](B(O)O)C2)CCC1	1261844726	YQFHHZVHIWORRD-LBPRGKRZSA-N	303.167	1.192	50	20	DDGD	
CCn1ccc(NC(=O)NNc2ccc(C(=O)O)c(F)c2)n1	1605927682	NUJALZIHBGRVMI-UHFFFAOYSA-N	307.285	1.889	50	20	DDGD	
CCO/C=C(/C#N)c1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1	1604414586	WBSAMZIXWQLHFL-FLIBITNWSA-N	309.289	1.818	50	20	DDGD	
CCC(CC)(CC(=O)O)N[C@H](C)C(=O)NNC(=O)CC(C)C	1604992309	SWFZVQVDVVQWRG-LLVKDONJSA-N	315.414	1.192	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNc2cccc(F)c2C(=O)O)c1	1601169164	NMWCLZFXIXVLHG-UHFFFAOYSA-N	317.276	1.380	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1ccc(-c2nc[nH]n2)cc1	1608482718	IORIAKYYVROBJD-UHFFFAOYSA-N	323.312	1.927	50	20	DDGD	
N#C[C@]1(C(=O)NNc2ccc(CC(=O)O)cc2)CCCOC1	1601050739	IVDZDYWTIHDASU-OAHLLOKOSA-N	303.318	1.077	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)c1cnc(Cl)cn1	1601560702	UOSDDQPGLYMRLD-UHFFFAOYSA-N	310.672	1.724	50	20	DDGD	
O=C(O)c1cc(C=NNC(=O)c2cccc3cccnc23)on1	1602254707	KWSFTIWBADZGPT-UHFFFAOYSA-N	310.269	1.685	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@H](CCC(C)(C)C)C(=O)O)cn1	1605491209	RAJPVIJVMQKQPL-BWODNOAJSA-N	318.377	1.723	50	20	DDGD	
C[C@@H](CC(=O)O)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	1604095445	VRSMFUXYXLZFSI-LURJTMIESA-N	301.686	1.802	50	20	DDGD	
Cn1nc(NC(=O)NNc2ncccc2C(=O)O)cc1C1CC1	1605553459	MSHFMONDANPDQR-UHFFFAOYSA-N	316.321	1.539	50	20	DDGD	
O=C(Cc1ccccc1C(=O)O)NNc1ccc([N+](=O)[O-])cc1	1605720486	WXRGKGHBFVVJQZ-UHFFFAOYSA-N	315.285	1.979	50	20	DDGD	
COC[C@H](C)C=NNC(=O)[C@H]1CCCO[C@@H]1c1nccn1C	1549309517	IQVUHJUOEWUSQN-AGIUHOORSA-N	308.382	1.272	50	20	DDGD	
CCOCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](Cl)CC	1800070047	WAFDABUZJRBTMJ-RNJOBUHISA-N	316.829	1.679	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)[C@H]1CCCOC1	1549904307	HMSOUXPQAZGDTI-YDHLFZDLSA-N	309.410	1.158	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2cc(N)nn2C)c1	1579673009	SQMSCFHQBMSDQM-UHFFFAOYSA-N	318.406	1.251	50	20	DDGD	
Cc1nc(-c2cccnc2)nc(NNC(=O)[C@H]2C[C@@H](N)C2)c1C	1579512468	WDNFRLJEOWUCHX-BETUJISGSA-N	312.377	1.336	50	20	DDGD	
C[C@@H](NC(=O)NNc1nc2cccnc2s1)[C@H]1CCCNC1	1576211985	BCLOAEAFNUQAKL-ZJUUUORDSA-N	320.422	1.706	50	20	DDGD	
O=C(CCCc1cnn[nH]1)NNC(=O)[C@@H]1C[C@H]1c1ccsc1	1577865981	FBGNCSDXVRRXRZ-NWDGAFQWSA-N	319.390	1.140	50	20	DDGD	
CC(=NNC(=O)C(=O)O)c1ccc(Br)cc1F	1589010972	NCGCULIURFXIMC-UHFFFAOYSA-N	303.087	1.513	50	20	DDGD	
C=C(C)C(C)(C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1588396942	RDPVJXDLTIBPBT-UHFFFAOYSA-N	314.349	1.230	50	20	DDGD	
N[C@H](CC(=O)NNc1nc2ccccc2[nH]c1=S)C(F)F	1580121262	OOICHIDANVAJMV-ZCFIWIBFSA-N	313.333	1.718	50	20	DDGD	
CC(C)(C#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](F)Cl	1847346431	AOYQYEVAHUIZPX-GUBZILKMSA-N	301.749	1.272	50	20	DDGD	
O=C([C@@H]1CCC=CO1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843364413	ITMCAGQYNWZRDS-WDEREUQCSA-N	316.760	1.417	50	20	DDGD	
CC[C@H](C#N)C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1590367415	QXCZRWNZDAOONQ-SSDOTTSWSA-N	305.729	1.513	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)c1c[nH]c(N)n1	1776046492	SQZIVRVPTKVJKE-UHFFFAOYSA-N	302.294	1.236	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc(C(=O)O)cc1OC	1776024589	FMVSXMXHJCIMGS-UHFFFAOYSA-N	321.377	1.575	50	20	DDGD	
O=C(O)/C=C/c1ccc(C=NNC(=O)N=c2cc[nH]cc2)o1	1776077995	UNEIXHFDOSQAEA-IZHGCUBQSA-N	300.274	1.350	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc(C(F)(F)F)c(C)c1	161197908	ANEFLQAYZRPXBG-UHFFFAOYSA-N	303.240	1.120	50	20	DDGD	
CC(C)Oc1cncc(C(=O)NNC(=O)c2cccc(C#N)c2)c1	163120302	BBJABPMAUNISNG-UHFFFAOYSA-N	324.340	1.815	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2ccnn2C(C)C)c1	152094009	UPZYTWYVOOJFLO-UHFFFAOYSA-N	316.361	1.612	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)c2cccc3ccccc23)ccc1=O	157635710	NAMXGTHBGLFFJS-UHFFFAOYSA-N	322.324	1.008	50	20	DDGD	
COc1ccc(NNC(=O)c2cn(C)nc2C)c([N+](=O)[O-])c1	155332054	GOJQZPZRGRDPEM-UHFFFAOYSA-N	305.294	1.402	50	20	DDGD	
COc1ccc(NNC(=O)NCc2ccccc2[N+](=O)[O-])nc1	156816494	LXNPUXKYWPOXSE-UHFFFAOYSA-N	317.305	1.825	50	20	DDGD	
CSSCCNS(=O)(=O)c1ccc(C)c(C(=O)O)c1	284073339	QOZPNKJNZMMQPD-UHFFFAOYSA-N	321.445	1.983	50	20	DDGD	
Cc1ccc(C)c(SCC(=O)NNC(=O)C(=O)NC(C)C)c1	8389908	NBXNAFGQFMNJQU-UHFFFAOYSA-N	323.418	1.068	50	20	DDGD	
COCCCCC(=O)NNC(=O)Cn1ccc2ccccc21	104633237	CKPHKGGQIYUMEB-UHFFFAOYSA-N	303.362	1.605	50	20	DDGD	
N#Cc1c[nH]c(C(=O)NNC(=O)Cn2ccc3ccccc32)c1	175581815	FDCWIGYQYMVKAT-UHFFFAOYSA-N	307.313	1.302	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CCCc1nc(C)no1	67438415	UCEJRXCXBPDJRM-UHFFFAOYSA-N	318.333	1.171	50	20	DDGD	
CCCc1c(C(=O)NNC(C)=O)nnn1-c1cccc(Cl)c1	68450806	GKFWBHCFXKLTQJ-UHFFFAOYSA-N	321.768	1.654	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)[C@H]1CCOc2ccccc21	173934076	XUHVQHVBQWAYLN-JTQLQIEISA-N	310.317	1.362	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(C(N)=O)s2)nn1	118525177	KMPZKSYSIYODNS-UHFFFAOYSA-N	319.390	1.691	50	20	DDGD	
CCCCCC(C)(C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1	177081679	HZBLBYXJZXSAMX-LLVKDONJSA-N	318.439	1.175	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc(N3CCCC3)nn2)n1	170694601	IOWZLGVJHDCIEM-UHFFFAOYSA-N	313.365	1.241	50	20	DDGD	
CN(CCNC(=O)NNC(=O)C(C)(C)C)Cc1ccc(F)cc1	175941582	PRIHTWYUMLZKLJ-UHFFFAOYSA-N	324.400	1.634	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(C(C)C)n(C)n2)n1	174485859	RZEXSXAZDILOAT-UHFFFAOYSA-N	304.354	1.407	50	20	DDGD	
NC(=O)c1cccc(NC(=O)NNc2ncccc2Cl)c1	171563843	GFAKRGBKTVGFNT-UHFFFAOYSA-N	305.725	1.983	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)N2CCc3ccccc32)o1	176208459	FWRGARWLTYEQQF-GFCCVEGCSA-N	313.357	1.800	50	20	DDGD	
O=C(CCc1ccccn1)NNC(=O)Cc1ccccc1F	66775152	DQUGWQPSDPEIST-UHFFFAOYSA-N	301.321	1.543	50	20	DDGD	
Cc1c(C(=O)NNc2ncc(F)cn2)cnn1-c1ccccc1	122418324	YAECSVYWWKJTBO-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
Nc1cc(C(=O)NNc2cccc([N+](=O)[O-])c2)cc(Cl)n1	178853186	FTFHIPWCBPDENG-UHFFFAOYSA-N	307.697	1.982	50	20	DDGD	
O=C(CCc1ccoc1)NNC(=O)CCc1ccccc1O	175543977	PTTYUXCTFDWHOG-UHFFFAOYSA-N	302.330	1.698	50	20	DDGD	
CC[C@H](C)N(C)CCNC(=O)NNC(=O)c1ccc(C#N)cc1	66196088	WUCIYZGXBWUCEW-LBPRGKRZSA-N	317.393	1.233	50	20	DDGD	
C[C@@H](C[S@](C)=O)NC(=O)NNC(=O)c1cc2ccccc2o1	182835078	FVRJLWYCEDAVJM-AUADJRAKSA-N	323.374	1.144	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)C(=O)Nc1ccsc1Cl	187559361	XXLPWWWJFKFZTC-UHFFFAOYSA-N	317.798	1.924	50	20	DDGD	
CC[C@H](C)[C@@H](C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	182348935	LBELQVOADZGLTH-WDMOLILDSA-N	306.362	1.656	50	20	DDGD	
CN1[C@H]2CC[C@@H]1CN(C(=O)/C(C#N)=C\c1ccc(O)cc1)CC2	185775472	XMHBHKMTFCGWGS-HGXPIFGLSA-N	311.385	1.994	50	20	DDGD	
O=C(Cn1cnnn1)NNc1c(Cl)cc(Cl)cc1Cl	72508220	HFRHXPXKCGAIBR-UHFFFAOYSA-N	321.555	1.777	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(-n3ccnc3)nc2)nc(C)n1	129072480	KRTOQUWTIOYMFN-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
C[C@@H]1CC(C(=O)NNC(=O)C(=O)Nc2ccccn2)C[C@@H](C)C1	180437092	VAQNLYSANSMWPO-QWRGUYRKSA-N	318.377	1.240	50	20	DDGD	
CCOc1cccc(NC(=O)NNC(=O)c2cccn2C)c1	184464394	AQPYKQLLKKXIQV-UHFFFAOYSA-N	302.334	1.890	50	20	DDGD	
CN(NC(=O)c1cc2cc(Br)ccc2[nH]1)C(N)=O	181056185	IIFANTWOKBDIRV-UHFFFAOYSA-N	311.139	1.586	50	20	DDGD	
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NNc2cccnn2)C1	78354810	PGUYOWIKMNUUNX-WIFINTHYSA-N	311.411	1.183	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)c2cc([N+](=O)[O-])cnc2N)c1	183397701	LUHZRNDFVGRWEG-UHFFFAOYSA-N	301.306	1.946	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NCc1ccco1	73117645	XVBIQQOXPWTZCR-UHFFFAOYSA-N	317.345	1.751	50	20	DDGD	
C[C@H](c1cccnc1)N(C)CC(=O)NNC(=O)c1ccccc1	180203453	BQGATFSGALCXMF-CYBMUJFWSA-N	312.373	1.536	50	20	DDGD	
N#Cc1cc(F)c(C(=O)NNC(=O)c2ccncc2)c(F)c1	132616664	XCYCHEYZZZLIDG-UHFFFAOYSA-N	302.240	1.306	50	20	DDGD	
CC(C)CS(=O)(=O)CCC(=O)NNc1cccnc1Cl	85685915	AYRFTYYWODRDHM-UHFFFAOYSA-N	319.814	1.639	50	20	DDGD	
O=C(NNC(=O)c1c(Cl)nc2ccccn12)c1ccncc1	192652570	OSCJBHMPVHSTDK-UHFFFAOYSA-N	315.720	1.458	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N2CCOCC2)c(C)n1C(C)C	194904825	BNZAGZIAYLELEH-UHFFFAOYSA-N	308.382	1.372	50	20	DDGD	
CCCC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2ccc(C)o2)C1	84374054	BUOPZKIGHDZQIF-GFCCVEGCSA-N	321.377	1.388	50	20	DDGD	
COc1ccc(COCCCC(=O)NNc2cccnn2)cc1	89830569	NSLFIOGZGZPCND-UHFFFAOYSA-N	316.361	1.925	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1cccnc1Cl)N1CCCC1=O	85683986	JPABTZAJKZYLIP-GFCCVEGCSA-N	310.785	1.825	50	20	DDGD	
ICCN1CCC[C@@H]1CN1CCOCC1	190916818	ONTCLVNEYSRNBQ-LLVKDONJSA-N	324.206	1.218	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)C(=O)Nc2cc(C)n(C)n2)c1	131840926	UCBPWLHQKFMQLJ-UHFFFAOYSA-N	301.350	1.427	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccc[nH]2)cc(OC)c1OC	198290182	QPUIFCYYKAEQDA-UHFFFAOYSA-N	319.317	1.115	50	20	DDGD	
Cn1ccc2cccc(NC(=O)NNC(=O)Cc3cc[nH]n3)c21	190082302	IFEURIJOQRQSNR-UHFFFAOYSA-N	312.333	1.297	50	20	DDGD	
Cc1cccc([C@H]2CCCN2CC(=O)NNC(=O)C2CC2)n1	140262702	YMLSRLLYADWEOE-CQSZACIVSA-N	302.378	1.084	50	20	DDGD	
O=C(NNc1cccc(Br)c1)[C@@H]1COCCO1	193110403	JVPKHMNEJZCACA-JTQLQIEISA-N	301.140	1.308	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cn1	246339279	BSSIXCBNAWEVOD-JBLDHEPKSA-N	320.418	1.844	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)/C=C\c1ccccc1C#N)C1CC1	255330436	AFRUGNSODZJXKD-IQQGHNRFSA-N	314.414	1.865	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])c(O)c1	255621977	POSOFWBKKFUESQ-XYOKQWHBSA-N	319.317	1.750	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)C[C@@H]1CCCCO1	267947937	XPGZWSYQNLZJAA-NSHDSACASA-N	310.325	1.311	50	20	DDGD	
CN1C(=O)c2ccc(C(=O)NNC(=O)CC(C)(C)C)cc2C1=O	264029872	MMICYSNQPZSDBF-UHFFFAOYSA-N	317.345	1.110	50	20	DDGD	
COCCOCCCNC(=O)NNC(=O)c1ccc(C)s1	264223987	UUOSEIVKCBIMTL-UHFFFAOYSA-N	315.395	1.054	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)COCc1ccccc1	265794640	SRBSMOIQJLQKLN-UHFFFAOYSA-N	303.318	1.215	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)C(C1CC1)C1CC1	269877891	IJQPAENDSPSIMG-UHFFFAOYSA-N	312.373	1.620	50	20	DDGD	
C[C@@H]1CC[C@@H](CC(=O)NNc2nc(O)c3cnn(C)c3n2)C1	269287675	DBNIMZKBANQWLK-RKDXNWHRSA-N	304.354	1.338	50	20	DDGD	
C[C@H]1CC[C@H](CC(=O)NNC(=O)COc2ccccc2O)C1	268261111	KOYWUKRLHFFYQT-RYUDHWBXSA-N	306.362	1.745	50	20	DDGD	
COc1ccc(OCCCNC(=O)NNc2cccnn2)cc1	265457663	DDPCHVAUUIXLBZ-UHFFFAOYSA-N	317.349	1.580	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](C)CO[C@@H]1CCOC1	267915552	DEAFTYOLFHTNHS-QWHCGFSZSA-N	321.377	1.133	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cncn2C)c1C	277594550	XCEWQBRLQWEUMJ-LBPRGKRZSA-N	316.361	1.265	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1COc2ccc(Cl)cc2C1	272713883	YJUOYPDTJJGDDP-JTQLQIEISA-N	311.769	1.584	50	20	DDGD	
C[C@H](NC(=O)NNc1cc(Cl)ccn1)c1nnc2n1CCC2	272432898	OFGDGNXHVCZEDP-QMMMGPOBSA-N	321.772	1.660	50	20	DDGD	
CNC(=O)c1ccc(C)c(NC(=O)NNC(=O)OC(C)(C)C)c1	274156626	LTOXDWOFVSPBSM-UHFFFAOYSA-N	322.365	1.916	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@]1(C)CCCOC1	272595502	DEMIHYUNLUURJO-MEDUHNTESA-N	324.352	1.557	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cccc(OCC(F)F)n1	270438260	DZHNDUUZWUPPSQ-UHFFFAOYSA-N	301.293	1.533	50	20	DDGD	
CCOc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)NC(C)C)c1	283383764	FZFGAGRBWHDVCF-UHFFFAOYSA-N	310.310	1.346	50	20	DDGD	
COCc1ncc(C(=O)NNC(=O)NC2CCCCC2)s1	284943807	DAJQEGMPRQNHTJ-UHFFFAOYSA-N	312.395	1.566	50	20	DDGD	
CO[C@@H]1CCC[C@H](CC(=O)NNC(=O)c2ccccc2O)C1	280905467	GBXUPDVBNWVLNC-NWDGAFQWSA-N	306.362	1.749	50	20	DDGD	
CCCN(NC(=O)c1ccc(OC)nn1)C(=O)OC(C)(C)C	286641356	XFBCJBNVHVVMSX-UHFFFAOYSA-N	310.354	1.777	50	20	DDGD	
O=C(CCc1ccc(O)cc1)NNC(=O)NCC(F)(F)F	281352720	VOLGIJUCBHLVIO-UHFFFAOYSA-N	305.256	1.218	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NNc2cccc(F)n2)C1	286700114	YIZDMHOUWGUZEZ-VXGBXAGGSA-N	322.384	1.949	50	20	DDGD	
CO[C@H](CNC(=O)OC(C)(C)C)C(=O)NNc1ccccc1C	289369593	ARGLTPJXXJNLPL-CYBMUJFWSA-N	323.393	1.978	50	20	DDGD	
CCCC(=O)N1CCC[C@@H](C(=O)NNc2ncccc2F)C1	285884437	GNMVCIIHTHVWEA-LLVKDONJSA-N	308.357	1.703	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNc1nnc(-c2ccccn2)s1	281027032	QCISGLIKXRXBTC-ZDUSSCGKSA-N	307.379	1.858	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2nc(C(C)C)oc2C)n1	285169068	TWMCUPUBSOWJOM-UHFFFAOYSA-N	319.365	1.381	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccccc2F)c(C)n1C	298092353	HYZRRSIKBLKMNO-UHFFFAOYSA-N	319.336	1.621	50	20	DDGD	
Cc1cccc(NNC(=O)CSCC(=O)N2CCOCC2)c1	298199442	QCSRFWBTEHTFSD-UHFFFAOYSA-N	323.418	1.030	50	20	DDGD	
CCc1nc(CNC(=O)[C@H](Br)C(C)(C)C)n[nH]1	295505541	GZFMGFFRDLFOQQ-VIFPVBQESA-N	303.204	1.793	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@@H]1CCCO1)c1ccc(Cl)s1	292175479	PYYMPELGIDDMJB-YUMQZZPRSA-N	302.783	1.831	50	20	DDGD	
CN(CC(=O)NNC(=O)C(C)(C)C)Cc1ccccc1N(C)C	808785370	DJONIFMPSBUCKE-UHFFFAOYSA-N	320.437	1.378	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-]	296221415	WXSYLSPZAOMQFW-UHFFFAOYSA-N	317.323	1.103	50	20	DDGD	
COc1ccnc(NNC(=O)NCC2CCC(F)(F)CC2)n1	800741712	VTEDSDHEDHSOJL-UHFFFAOYSA-N	315.324	1.937	50	20	DDGD	
COCc1ncc(C(=O)NNc2nc3ccccc3[nH]2)s1	807174058	UCWBEOFVMQUYLT-UHFFFAOYSA-N	303.347	1.923	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccc[nH]1)c1c(F)cncc1F	807557298	XCIQJAFXONQWEV-ZETCQYMHSA-N	309.276	1.393	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2CCN3CCCC[C@@H]23)n1	298737241	NHQMUZVVRWPDEA-OLZOCXBDSA-N	304.398	1.346	50	20	DDGD	
Cc1cc(C)n2nc(C)c(C(=O)NNc3cccc(F)n3)c2n1	804773146	QYWWBOCXPWBRNF-UHFFFAOYSA-N	314.324	1.946	50	20	DDGD	
CC[C@H](C)[C@@H](C)NC(=O)NNC(=O)c1ccc2c(c1)OCCO2	299177932	VKSWDSRFCYHSKS-WDEREUQCSA-N	321.377	1.836	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCCC1(C)C	807369663	DKSBQMCQOGVXJK-NSHDSACASA-N	300.399	1.749	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)CNC(=O)CCC(C)C)c1	294007956	UQFBXHDQXYBHCC-UHFFFAOYSA-N	320.393	1.641	50	20	DDGD	
O=C(NNc1ncccc1F)C(=O)Nc1cc(F)cc(F)c1	807300857	LZRXWJJUBYPJIU-UHFFFAOYSA-N	310.235	1.581	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NNC(=O)N=c1cc[nH]cc1	802035996	PAJLZMRUVWKAKU-RYUDHWBXSA-N	316.386	1.830	50	20	DDGD	
C[C@@H]1CSC[C@@H]1NC(=O)NNC(=O)c1cccc(N(C)C)c1	805788173	AWIGIWYZVAHVAU-MFKMUULPSA-N	322.434	1.448	50	20	DDGD	
C[C@H]1CC[C@H](NC(=O)NNc2ccc(-n3ccnc3)nn2)C1	805318794	BJPUZFDCPPYCQA-QWRGUYRKSA-N	301.354	1.477	50	20	DDGD	
Cc1ccoc1CN(C)C(=O)NNC(=O)Cc1cccnc1	292508436	CZHMANYNFPJNJI-UHFFFAOYSA-N	302.334	1.398	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(F)c(C(F)(F)F)cc1F	804301535	GLEQATIXYLKXLN-UHFFFAOYSA-N	311.210	1.948	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2cnn3c2OCCC3)c1	815905860	DONYWHMLBJPLBJ-UHFFFAOYSA-N	318.724	1.343	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2ncnc3ccsc23)c[nH]1	815828026	ZCLOYXYATUPIFN-UHFFFAOYSA-N	317.330	1.563	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)Nc2cc(F)cc(F)c2)n1C	815006996	KAAIQWZRLLFFFJ-UHFFFAOYSA-N	322.319	1.920	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)Cn2cnc3ccccc32)c(C)o1	814211056	OVLQZLAQVYCRHF-UHFFFAOYSA-N	313.317	1.102	50	20	DDGD	
CCOc1ccc(C=NNC(=O)Cc2cc[nH]n2)cc1OC	814953704	MHBUZEWIYVVZDC-UHFFFAOYSA-N	302.334	1.510	50	20	DDGD	
COCCN(C)NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C	816562388	JNIKZKUKKDTCIX-HNNXBMFYSA-N	305.378	1.571	50	20	DDGD	
CC(C)(C)NC(=O)CCNC(=O)NNc1cccc(Cl)n1	814297225	MUKPSWHOUISVJO-UHFFFAOYSA-N	313.789	1.666	50	20	DDGD	
O=C(CSC[C@H]1CCCCO1)NNc1ncncc1F	817067919	SMPUEKTXGXPZEQ-SECBINFHSA-N	300.359	1.361	50	20	DDGD	
CO[C@@](C)(C=NNC(=O)[C@@H]1COc2ccccc2O1)C1CC1	814700703	BCDQMCSUERJNHC-HOCLYGCPSA-N	304.346	1.744	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2)[nH]n1)c1cscn1	728599854	LZHMFJKWBTXCSL-UHFFFAOYSA-N	313.342	1.608	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)cn1	728855599	ITCHWAIZYFLIJN-UHFFFAOYSA-N	323.352	1.520	50	20	DDGD	
Cc1ncsc1CN(C)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	827301033	VNPKTWDMMZYQHL-ZJUUUORDSA-N	312.395	1.049	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNc2nc(O)c3ccccc3n2)CCN1C	826860461	GNPWAPHDSOOJIP-NXEZZACHSA-N	301.350	1.119	50	20	DDGD	
CCOc1nc(C(F)(F)F)ccc1C(=O)NN(C)[C@@H](C)CO	823928243	LRCRFNJSZLOQBD-QMMMGPOBSA-N	321.299	1.457	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1	826384132	HZXAMLDUYFUABN-UHFFFAOYSA-N	305.301	1.495	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NCCN2CCO[C@H](C)C2)c(C)c1	726258689	YEVRKTWGERKTPC-OAHLLOKOSA-N	320.437	1.959	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1occc1C	495985978	BTTSHCDSCJNEGC-LBPRGKRZSA-N	319.361	1.955	50	20	DDGD	
COCc1ccc(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	825632779	FWIDMLROROMCKX-FZMZJTMJSA-N	321.377	1.088	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)c1ccc(OC)c(OC)c1	822189455	QCECOZYIUZPZEZ-LBPRGKRZSA-N	310.350	1.280	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@H](CO)CC2CCCCC2)cn1	491080672	DPIPDMLAZYLXDZ-UJPCXNRSSA-N	316.405	1.775	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)CCC1CC1	494331676	JKNYLRCXYAVOIT-UHFFFAOYSA-N	313.398	1.629	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)N[C@H]2CO[C@H](C)C2)c1	828420420	KYRRUCQTSIMFHH-CHWSQXEVSA-N	321.377	1.190	50	20	DDGD	
CC(C)NC(=O)N1CCC[C@H]1C(=O)NNC(=O)OC(C)(C)C	497089663	MNXBMUMARNPRRA-JTQLQIEISA-N	314.386	1.125	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCCC(C)(C)C(=O)OC(C)(C)C	823836652	ODQYTVIYDUBVIU-UHFFFAOYSA-N	315.414	1.731	50	20	DDGD	
Cc1noc([C@@H](C)NC(=O)NNc2cccc([N+](=O)[O-])c2)n1	726279357	NNCVNCIVBPDERF-SSDOTTSWSA-N	306.282	1.674	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](O)CCSC)c([N+](=O)[O-])c1	827255528	RIGSJNNQTUBBOE-NSHDSACASA-N	315.351	1.161	50	20	DDGD	
CCCNC(=O)NNC(=O)c1sc(N(C)C)nc1Cl	822799344	BCDBFSTUBWQKTR-UHFFFAOYSA-N	305.791	1.217	50	20	DDGD	
O=C(CCC[C@H](O)c1ccccc1)NNC(=O)Cc1cc[nH]n1	826667101	MBNNHLRJEGMPCS-AWEZNQCLSA-N	316.361	1.004	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)Cc1nc(-c2ccccc2)cs1	821218231	VRCZNWIHODUYLF-NSHDSACASA-N	305.403	1.696	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CC1(O)CCC1	822204829	CDMSBLOHUCQXGA-JTQLQIEISA-N	310.325	1.046	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC[C@H]1c1cccc(F)c1	827290714	YKKCXVSWOGKDRF-GDLCADMTSA-N	321.352	1.738	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1cccc(-c2nccs2)c1	495950234	NTWQIFAVZVUWFB-UHFFFAOYSA-N	320.330	1.136	50	20	DDGD	
CN(C)N(C(=O)C1CCC=CCC1)[C@@H]1CCS(=O)(=O)C1	823014087	LBWDTLYHJRWAMK-CYBMUJFWSA-N	300.424	1.225	50	20	DDGD	
COc1cc(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)ccc1C	825891551	ZGSKGJBHYNBVLN-YPMHNXCESA-N	321.377	1.259	50	20	DDGD	
CCCc1nc(C)c(NC(=O)c2ccc(B(O)O)c(F)c2)s1	584976010	IGEYNFILTHCQIK-UHFFFAOYSA-N	322.170	1.475	50	20	DDGD	
Cc1ccc(C)c(C2=NO[C@@H](C(=O)NNc3ncccn3)C2)c1	900111759	HHJFEEWLAPFRLG-CQSZACIVSA-N	311.345	1.730	50	20	DDGD	
O=C(NC1(c2nccs2)CCCC1)c1ccc(B(O)O)cc1	584949882	GTWJZHNFUPGMQG-UHFFFAOYSA-N	316.191	1.022	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H](C)Oc1cccc2ccccc12	823879181	GVKQELPNDCEQIF-CYBMUJFWSA-N	302.374	1.953	50	20	DDGD	
C[C@@]1(C(=O)NCc2cc3n(n2)CCCO3)C[C@@H]1Br	820103078	QZQSYYKVTIZLFL-JOYOIKCWSA-N	314.183	1.455	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCC2(C(=O)O)CCC2)cc1	737897375	IHIYFYPFXZDRFZ-UHFFFAOYSA-N	319.361	1.448	50	20	DDGD	
Cn1cnnc1CCCNC(=O)/C(C#N)=C/c1ccc(O)cc1	491044271	BRPHLMLGNUUPGQ-UKTHLTGXSA-N	311.345	1.177	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNC(=O)CCc1ccccc1)C(C)C	730966819	GCWQCQZWVRSOJX-AWEZNQCLSA-N	321.377	1.147	50	20	DDGD	
COc1ccc2cc(C(=O)NNC(=O)NCC3CC3)cnc2c1	906416461	CMZWVMFGJCHCQL-UHFFFAOYSA-N	314.345	1.597	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1nc(-c2ccco2)cs1	497093066	JPNCOLAJGCKIPL-UHFFFAOYSA-N	324.318	1.119	50	20	DDGD	
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NNc1cccc(C#N)c1	907092625	JWFDVGZXTPUCFM-UONOGXRCSA-N	301.346	1.981	50	20	DDGD	
CC(C)[C@H](NC(=O)O)C(=O)NNc1cc(F)c(F)cc1F	736373834	GGWQGJVSQONAHJ-JTQLQIEISA-N	305.256	1.839	50	20	DDGD	
COc1cccc(C[C@H](O)C(=O)NN(C)C(=O)OC(C)(C)C)c1	497026769	PTNUSXZRBFRQRD-ZDUSSCGKSA-N	324.377	1.497	50	20	DDGD	
CN(CC(=O)N1CCCC1)C(=O)[C@@]1(C)C[C@@H]1Br	905504721	MEEKBTQDLWBQOD-CABZTGNLSA-N	303.200	1.241	50	20	DDGD	
CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NNc1cccc(C(=O)O)c1	833555065	FJQDVTVCOWTVLB-UPJWGTAASA-N	319.361	1.824	50	20	DDGD	
O=C(NC[C@@H]1CCCC(F)(F)C1)NNC(=O)[C@H]1CCCCO1	836443596	IBFVXIUWDDCTMD-GHMZBOCLSA-N	319.352	1.711	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)C[C@@H](C)c1cnn(C)c1	839718317	IRFYPJBRYZKRTA-LLVKDONJSA-N	316.361	1.844	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NO[C@H]2CCCCO2)cc1	836434837	DIGKHHAYTGELPS-LBPRGKRZSA-N	324.337	1.489	50	20	DDGD	
COc1nccc(C=NNC(=O)[C@H](C)CN2CCCCC2)n1	834935832	WVYCTSUNPLVJAW-GFCCVEGCSA-N	305.382	1.057	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C(F)(F)F)c1	839758077	OXPJEMREENOTPZ-GMSGAONNSA-N	314.223	1.685	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1C[C@H]2C3CCC(CC3)[C@H]2C1	585009474	YGPGEABFYPXMMY-JSHBZLHNSA-N	317.169	1.014	50	20	DDGD	
CN1CCCC[C@@H]1C(=O)NNc1nc(-c2ccccc2)no1	732285128	SJSAWHNLRLSKEK-GFCCVEGCSA-N	301.350	1.664	50	20	DDGD	
O=C(NNc1ccc(Br)nc1)c1cccc[n+]1[O-]	732834697	MOVKMMHIJQVHJR-UHFFFAOYSA-N	309.123	1.234	50	20	DDGD	
O=C(O)CCCNC(=O)NNc1ccc(Br)cn1	738576629	NUMORSLEPXMDAO-UHFFFAOYSA-N	317.143	1.335	50	20	DDGD	
COc1cccc(C2(CNCc3ccc(B(O)O)cc3)CC2)c1	585040754	ILKYTICWFIMKJW-UHFFFAOYSA-N	311.190	1.196	50	20	DDGD	
CC(C)(C)[C@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1	584984891	ZZZJDJQKDRUWKB-NSHDSACASA-N	307.174	1.404	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)o1	837375751	DLWULCBOXOMOGF-IVZWLZJFSA-N	302.334	1.728	50	20	DDGD	
CCCCO[C@H]1C[C@H](NC(=O)c2ccc(B(O)O)cc2)C1(C)C	584961464	REROCAJQYYVJGT-GJZGRUSLSA-N	319.210	1.080	50	20	DDGD	
CC1(C)C[C@H]1CNC(=O)NNC(=O)COc1ccc(F)cc1	732893030	NKESGKQESFFBLC-JTQLQIEISA-N	309.341	1.581	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=Cc1ccc([N+](=O)[O-])o1	916324343	YGTYUKKQNZEPNW-UHFFFAOYSA-N	314.257	1.589	50	20	DDGD	
Cc1ccc(C)c(C2=NO[C@@H](C(=O)NN(C)[C@@H](C)CO)C2)c1	911445146	NFQLLVPAVOAKDW-SWLSCSKDSA-N	305.378	1.140	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@@H](C1CC1)C(F)(F)F	836459378	PIWSWIUUPCUCSR-IUCAKERBSA-N	309.288	1.227	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@@H]1CCC[C@H](C(=O)O)C1	833118624	LYNWZIKOTZXUHU-NEPJUHHUSA-N	322.336	1.407	50	20	DDGD	
COc1ccc(CCC(=O)NNc2ccnc(N(C)C)n2)cc1	740112006	ANIUFACQEBOYMS-UHFFFAOYSA-N	315.377	1.627	50	20	DDGD	
CCOc1ccc(C(=O)NNc2ncccn2)cc1[N+](=O)[O-]	913044376	SYKPGLPLQVLQKX-UHFFFAOYSA-N	303.278	1.540	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1cc(C(F)(F)F)ccc1C	747596323	LZKUWXZGXDSUIF-UHFFFAOYSA-N	310.297	1.733	50	20	DDGD	
Cn1nc2c(c1C(=O)NC[C@@]1(C)C[C@@H]1Br)CCC2	912827383	NHIRTQJRCWJKKW-GXFFZTMASA-N	312.211	1.812	50	20	DDGD	
CCn1ncc(C=NNC(=O)[C@@H](C)Oc2cccc(C)c2C)n1	841611779	AXPQBZMRYKYWGE-CYBMUJFWSA-N	315.377	1.832	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NCCC(F)(F)F	743625499	SXWXZKSIXABBKN-UHFFFAOYSA-N	319.283	1.486	50	20	DDGD	
C[C@H](CCCCN)NC(=O)NNc1ncnc2ccsc12	841994000	GHOPUCJTPFBXKL-SECBINFHSA-N	308.411	1.835	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ncccn1)[C@H]1C[C@H]2CC[C@H]1C2	842170789	CBTLTTAQGHQVLK-NOOOWODRSA-N	303.366	1.245	50	20	DDGD	
Cc1cc(C(=O)NNc2ccnc(N(C)C)n2)cc([N+](=O)[O-])c1	740113690	GANUPHQEMURCMJ-UHFFFAOYSA-N	316.321	1.516	50	20	DDGD	
CC(C)C(=O)NNC(=O)NC[C@H](C(=O)OC(C)(C)C)C(C)C	847430260	DABFUFIWVSXOGJ-NSHDSACASA-N	315.414	1.587	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Cn1ccc2ccccc21)[C@H](C)O	842231102	GGKUCRKMSHRMGM-AAEUAGOBSA-N	303.362	1.196	50	20	DDGD	
Cc1ccc(F)c2c1C(=NNC(=O)[C@@H]1CCO[C@@H]1C)C(=O)N2	842553428	GTTDSURJCCEYLE-RKDXNWHRSA-N	305.309	1.332	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@@H]1CC[C@H]2CNC[C@H]2C1	842015938	RWLYOHDBGCLBSN-IVZWLZJFSA-N	310.789	1.144	50	20	DDGD	
O=C(CN1CCSC1=O)NNc1cccc(C(F)(F)F)n1	740135994	HFJUYZIUSYQWDK-UHFFFAOYSA-N	320.296	1.712	50	20	DDGD	
Cc1ccc([C@H](C)NC(=O)NNC(=O)C(=O)N2CCCC2)s1	748457699	QQOCQRAHMQTNPV-JTQLQIEISA-N	324.406	1.070	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@H]1CCCN2CCCC[C@@H]12	847441720	BXFOJJPGZFKNKA-QWRGUYRKSA-N	324.816	1.773	50	20	DDGD	
NC[C@H]1CCCC[C@@H]1NC(=O)NNc1ncnc2ccsc12	841952578	CFCMFTXRYQBWFS-ZJUUUORDSA-N	320.422	1.835	50	20	DDGD	
CC(CCc1ccccc1)=NNC(=O)Cc1cc(O)nc(O)n1	743447245	FNWNBNNQFAIKQF-UHFFFAOYSA-N	314.345	1.555	50	20	DDGD	
COc1csc(C(=O)NNc2nc(-c3cccnc3)no2)c1	746852577	MRZUYPNFSPMBCE-UHFFFAOYSA-N	317.330	1.959	50	20	DDGD	
O=C(CCn1cccc1)NNC(=O)c1cc2c(s1)CCC2	746096226	DEHNJCZPUACJRS-UHFFFAOYSA-N	303.387	1.890	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)C1=NNC(=O)C1	749288853	BIBPTZDSFIWZBG-UHFFFAOYSA-N	311.139	1.077	50	20	DDGD	
COC/C(C)=C\C(=O)NNC(=O)CSc1ccccc1O	845903484	YRYZIZXDFJDEBU-YFHOEESVSA-N	310.375	1.224	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1ccc2c(c1)CNCC2	841303325	BAQCAIQHBKGQTF-AWEZNQCLSA-N	318.377	1.054	50	20	DDGD	
CC(C)O[C@@H]1CCCN(C(=O)/C(C#N)=C\c2cnn(C)c2)C1	846364254	UCCODQFRNBCXLK-XIEDVDOYSA-N	302.378	1.743	50	20	DDGD	
CO[C@H](CNC(=O)NNc1cncc(Cl)n1)CC(C)C	842187381	WBVSVRPCTCQEGT-VIFPVBQESA-N	301.778	1.817	50	20	DDGD	
COc1ccccc1C(C)(C)C(=O)NNC(=O)c1ccc[nH]1	746818858	KMORZWXAPBSWDR-UHFFFAOYSA-N	301.346	1.762	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc(O[C@@H]2CCOC2)cc1	849177446	MCUTWKWQCFFPPT-SCOADAFUSA-N	316.357	1.524	50	20	DDGD	
Cc1ccc2c(c1)CC[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)O2	843654647	IYQGIFJLCHPFPO-NJZAAPMLSA-N	318.373	1.261	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(Cl)ccc1[N+](=O)[O-]	921042476	XRMYREMKZFLCAS-UHFFFAOYSA-N	300.702	1.602	50	20	DDGD	
COc1cccc(NCC(=O)NN=C[C@@H](OC)[C@@H]2CCOC2)c1	841614654	NRNRPZAFOKPCMW-IUODEOHRSA-N	321.377	1.261	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cc1ccncc1)c1cccs1	747671057	FSINWTZHGKFUJI-SNVBAGLBSA-N	320.443	1.942	50	20	DDGD	
CCOc1cc(NC(=O)NNC(=O)c2c[nH]nc2C)ccc1C	756331040	PBQJLBMIUQAEIK-UHFFFAOYSA-N	317.349	1.892	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1COc2c(Cl)cccc21	757821706	XKTGBMVMASWGDO-SNVBAGLBSA-N	313.741	1.140	50	20	DDGD	
CO[C@@H](C)CNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	852529701	JQYFTQAXFPSMPJ-HXTFMFRQSA-N	309.410	1.568	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2cccc(Cl)c2O)n1	753454025	OTGUCOPFQHGJEH-UHFFFAOYSA-N	314.132	1.828	50	20	DDGD	
O=C1C[C@H](C(=O)NNC(=S)NCC2CCC2)c2ccccc21	855089151	DUTDYANLFPEPHW-ZDUSSCGKSA-N	317.414	1.652	50	20	DDGD	
Cc1ccc2c(c1)CCC2=NNC(=O)[C@H]1CCS(=O)(=O)C1	921259011	UGWBEDLEFFLGBD-LBPRGKRZSA-N	306.387	1.196	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)CSCc1ccccn1)C1CC1	855102997	PEQXYUFJTQEWBN-JTQLQIEISA-N	324.475	1.609	50	20	DDGD	
C[C@]1(C2CC2)NC(=O)N(C[C@@]2(C)C[C@@H]2Br)C1=O	857227532	OZRVFCMTWGBRNH-XXILOJSOSA-N	301.184	1.880	50	20	DDGD	
CN(C[C@H]1COCCO1)C(=O)/C(C#N)=C\c1ccc(O)cc1	855680853	CBYBSPYTLVPVDH-ODDCISTRSA-N	302.330	1.173	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)c1cc(OC)cc(OC)c1	755046422	PFTSPPROXDPANU-JTQLQIEISA-N	310.350	1.137	50	20	DDGD	
CN(C[C@H]1CCCCO1)C(=O)NNC(=O)c1cccc(F)n1	852710149	JKNZCEHKPNXLIZ-SNVBAGLBSA-N	310.329	1.076	50	20	DDGD	
CC1(C)C(=NNC(=O)Cc2cc(O)nc(O)n2)[C@H]2CCC[C@H]21	853312065	HYIWWRVRQSOPAY-VHSXEESVSA-N	304.350	1.359	50	20	DDGD	
COC(=O)C(C)(C)CNC(=O)NC[C@@]1(C)C[C@H]1Br	856842454	MAPLENGDFXXFLN-PRHODGIISA-N	321.215	1.658	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNC(=O)c2ccc[nH]2)ccc1F	756056241	VELJFHMTBSESPK-UHFFFAOYSA-N	320.280	1.407	50	20	DDGD	
O=C(NCc1ccco1)NNC(=S)NC[C@H]1CCCCO1	758209569	LUCACTMCPUXOHS-SNVBAGLBSA-N	312.395	1.027	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CCCc3nn[nH]c32)C[C@@H]1Br	857734885	WMDBYSFVOKOSSG-VFWDIBGWSA-N	313.199	1.514	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNc2ncc(Cl)cn2)c1C	857358054	MUVUNQSGIKYSBF-UHFFFAOYSA-N	308.773	1.649	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H](C)Oc2ccccc2)nc1	759730714	XJKMEVLRQXHAMO-LLVKDONJSA-N	315.329	1.779	50	20	DDGD	
CN(CCN1CCCC1)C(=O)NC[C@@]1(C)C[C@H]1Br	856956455	PPPQCOBKEXAPCK-DGCLKSJQSA-N	318.259	1.897	50	20	DDGD	
CC1(C)CC(NC(=O)NNC(=O)c2cn[nH]c2)CC(C)(C)C1	858349717	NULZOSFYBRKWQH-UHFFFAOYSA-N	307.398	1.959	50	20	DDGD	
N#Cc1ccc(NNC(=O)C2(C(=O)NC3CC3)CC2)cc1Cl	753317667	XKSBQTBUMYAJHK-UHFFFAOYSA-N	318.764	1.714	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC([C@@H]2CCCCO2)CC1	852594418	MWBOBADMFHGNFG-JSGCOSHPSA-N	311.426	1.213	50	20	DDGD	
NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1ncccc1C(F)(F)F	857132534	JGQBLKOKAOSTOZ-BQBZGAKWSA-N	302.256	1.055	50	20	DDGD	
CCNC(=O)CCC(=O)NNc1cccc(C(=O)OC)c1C	855627311	JNUMSYZARUTCSC-UHFFFAOYSA-N	307.350	1.141	50	20	DDGD	
CC(C)(C)c1cnc(NC(=O)NNC(=O)Cc2cc[nH]n2)s1	756790814	BRJDYHGZZDWPLS-UHFFFAOYSA-N	322.394	1.559	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H]2CCCC23OCCO3)c1	862479265	JAVQUNFRLCLVRC-SNVBAGLBSA-N	310.375	1.361	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@]23CCC[C@@H]2C3)c1	930163725	SSBSIKYFIKXLMR-IAQYHMDHSA-N	322.386	1.041	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1nc(-c2cccs2)cs1	763444619	WVUPSAADDCNUAX-UHFFFAOYSA-N	324.387	1.368	50	20	DDGD	
CCO[C@@H]1C[C@@H](NS(=O)(=O)CC(C)(C)CCl)[C@H]1OC	867106322	AYCOGRRJAWYNAO-GMTAPVOTSA-N	313.847	1.363	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)Cc2ccccc2F)CCC1=O	764199463	SAVJMMQECSHPIP-CMPLNLGQSA-N	306.337	1.521	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@H]1CCCCNC1=O	767029876	MROBAYRUJUQLOO-IUCAKERBSA-N	305.216	1.581	50	20	DDGD	
CCN1C[C@H](C)N(C(=O)NNC(=O)c2ccccc2C)C[C@@H]1C	765645525	VNIXQVCRZDLFFB-KBPBESRZSA-N	318.421	1.764	50	20	DDGD	
Cc1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)C1CCCC1	764066290	JCNSDCIIPBITPM-UHFFFAOYSA-N	323.780	1.925	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1Cl	860226497	IIAWATXTAUXFDZ-SNVBAGLBSA-N	310.741	1.080	50	20	DDGD	
CCO[C@@H](CC(=O)NNC(=O)c1ccccc1OC)C(C)C	760522382	DPZOWRCIOFKYLX-AWEZNQCLSA-N	308.378	1.907	50	20	DDGD	
Cc1ccc(CCCC=NNC(=O)CS(C)(=O)=O)cc1C	863186780	LUSVSAZZXLCWKE-UHFFFAOYSA-N	310.419	1.773	50	20	DDGD	
O=C(CCc1cnn[nH]1)NNc1ccc(OC(F)(F)F)cc1	866872744	BPHXEXXIFYCVKA-UHFFFAOYSA-N	315.255	1.779	50	20	DDGD	
CC(C)C[C@@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1	862454469	GRCABTZTQSKPFK-ZIAGYGMSSA-N	317.389	1.242	50	20	DDGD	
CSc1cccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1C	860881437	ZAQGMFXCAJCQHA-SNVBAGLBSA-N	322.390	1.148	50	20	DDGD	
CCOC(C)(C)C(=O)NNc1nc2ccccc2c(=O)n1CC	864721137	KBDUOFTUNJZTTB-UHFFFAOYSA-N	318.377	1.675	50	20	DDGD	
CCCc1ccc(C(=O)NNC(=O)Cn2nc(C)cc2C)s1	864503279	IVULRWJGUUJYGT-UHFFFAOYSA-N	320.418	1.975	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccc(-c2ccccc2)cc1	765373700	LSBOSOZHFABLMQ-UHFFFAOYSA-N	313.313	1.679	50	20	DDGD	
CC(C)O[C@H]1C[C@H](NS(=O)(=O)CBr)C1(C)C	766080629	NZVVGQJTFYGWKV-IUCAKERBSA-N	314.245	1.850	50	20	DDGD	
CC(CCCCO)=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1	766690579	OZHNMGJUMYGCOF-AEGPPILISA-N	313.442	1.386	50	20	DDGD	
CCC(=O)N[C@@H](CCSC)C(=O)NNc1ccc(F)cn1	874651837	VTZBDDLOXKRNHT-JTQLQIEISA-N	314.386	1.312	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NC[C@H]1CCCS1(=O)=O	771341515	SBSJBVPEKJNABT-SNVBAGLBSA-N	315.370	1.337	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(N)ccc1Cl	772054310	NRRCBPDZARVEOR-SSDOTTSWSA-N	313.741	1.025	50	20	DDGD	
COC(=O)C1(C(=O)NNC(=S)Nc2cccc(C)c2)CC1	873775822	RVHAEMDNTZPMKT-UHFFFAOYSA-N	307.375	1.266	50	20	DDGD	
COCc1cccc(CC(=O)NNc2ncccc2[N+](=O)[O-])c1	779394638	MYRQWSKWPWUBMD-UHFFFAOYSA-N	316.317	1.822	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@]1(F)CCOC1	1119007672	GRLGWESQBOCFFG-CYBMUJFWSA-N	313.354	1.141	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C	875575709	XAWHXEJDMQOYOK-YPMHNXCESA-N	308.382	1.590	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CC2OCCO2)c1	873757386	XSVLFRCFNWMCHN-UHFFFAOYSA-N	309.391	1.384	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C(C)(C)C2CC2)cn1	874955316	OLVHSFDVRLNTFV-UHFFFAOYSA-N	308.407	1.844	50	20	DDGD	
CN(C)CCn1ccc(C(=O)NNc2nc3ccccc3[nH]2)n1	870209467	KCGCFMTULJVCLL-UHFFFAOYSA-N	313.365	1.078	50	20	DDGD	
COC(OC)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	873810403	OPOYBNCSVWQFKM-MRVPVSSYSA-N	312.391	1.253	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CCN(CCC(F)(F)F)CC1	779767460	NLHYBFURGSWHNP-UHFFFAOYSA-N	322.331	1.031	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O	887151729	IPLYBMNPEUTGQP-KGLIPLIRSA-N	319.405	1.119	50	20	DDGD	
Cn1cnc(NC(=O)NC[C@@]2(C)C[C@H]2Br)cc1=O	888495595	AMQYMHIVHNTVCA-RDDDGLTNSA-N	315.171	1.075	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)N[C@H]1C[C@H]1Cc1ccccc1	883493629	PJXAWKVOEAZUPS-OCCSQVGLSA-N	311.345	1.052	50	20	DDGD	
O=C(NNc1ncc(Cl)cc1Cl)C(=O)Nc1ccon1	773679394	YOOYWNLMRLMFIL-UHFFFAOYSA-N	316.104	1.458	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CN(C)CCCF)cc1C	887141042	CTDVPMSHYJIXIO-UHFFFAOYSA-N	315.414	1.671	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NN(C)c2ccccc2)c1F	783434391	KZNFCQMHSLFEHE-UHFFFAOYSA-N	317.320	1.940	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2ccnn2C(C)(C)C)c1	783931522	RVWHVMKQWHJHJB-UHFFFAOYSA-N	316.365	1.423	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNc2ccc(C(F)(F)F)cc2)n1	782016451	DUPQNIBLVINXRI-UHFFFAOYSA-N	324.262	1.956	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cnn(C)c1C(F)F	780732216	NBFTZRZFSKANCO-UHFFFAOYSA-N	324.287	1.901	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCCOc2cc(F)ccc21	781592118	BHBCFUJEEXLMBM-LLVKDONJSA-N	324.352	1.870	50	20	DDGD	
CC1(NC(=S)NNC(=O)c2nnc(-c3ccccc3)o2)CC1	789206659	KRAVONRTLAIUSV-UHFFFAOYSA-N	317.374	1.398	50	20	DDGD	
C[C@H]1CCC[C@H]([C@H](C)NC(=O)NNC(=O)C2CCOCC2)C1	883684512	JIQWAFSNLNYQFJ-OBJOEFQTSA-N	311.426	1.958	50	20	DDGD	
CC(C)(C=NNC(=O)C1CCC1)N1C(=O)c2ccccc2C1=O	782231470	VUIAYLLCYYTCLA-UHFFFAOYSA-N	313.357	1.963	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1CCN(c2ccccc2F)C1	887148911	BJSMMQZBSZLHSP-ZDUSSCGKSA-N	317.364	1.603	50	20	DDGD	
Cc1cc(C)c(S(=O)(=O)NNC(=O)C2CCOCC2)s1	882804766	XMHYXSASVZOQBR-UHFFFAOYSA-N	318.420	1.101	50	20	DDGD	
Cc1nn[nH]c1C(=O)NNC(=O)CCSc1ccc(F)cc1	789871019	LABFVAQDVLBMOH-UHFFFAOYSA-N	323.353	1.196	50	20	DDGD	
COC(C)(C)CC(=O)OCC(=O)NNC(=O)c1cccc(C)c1	787126110	MTXQVGIUAUIQDX-UHFFFAOYSA-N	322.361	1.114	50	20	DDGD	
COc1cccc(NNC(=O)COCCc2ccccc2)n1	780768309	LZUXMDZLJRQSFE-UHFFFAOYSA-N	301.346	1.793	50	20	DDGD	
Cc1ncc2c(n1)CC[C@@H](NS(=O)(=O)CCCCl)C2	881782267	BDRINSIKGMEXQR-LLVKDONJSA-N	303.815	1.191	50	20	DDGD	
COc1cc(CCNC(=O)NNc2ncccn2)cc(OC)c1	1123790920	YXSOGTVXZURKKD-UHFFFAOYSA-N	317.349	1.363	50	20	DDGD	
Cc1ccc(-n2cnnc2)c(C(=O)NNC(=O)c2ccccc2)c1	789938607	GIRFKODDONIPTG-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2ccc3[nH]ccc3c2)ncn1	783945475	ZXBUURAVLZUMNC-UHFFFAOYSA-N	310.317	1.348	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=Cc2c(Cl)cnn2C)c1	780197089	HPCDHARTHYKSSW-UHFFFAOYSA-N	305.769	1.903	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC(=O)c2ccccc21)c1ccccn1	785668566	JEJUZOBOVKCNSX-CYBMUJFWSA-N	309.325	1.603	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)[C@@H](C)CC(N)=O	890452296	AJFUVGUMXIAZNV-QMMMGPOBSA-N	314.183	1.712	50	20	DDGD	
C[S@@](=O)CCNC(=O)NNc1cc(Cl)cc(Cl)c1	790391390	JHMISEVSFCXCBO-GOSISDBHSA-N	310.206	1.998	50	20	DDGD	
C=C(CBr)COC(=O)C[C@@H]1C=CS(=O)(=O)C1	795406186	NYADEPDUISIZQD-VIFPVBQESA-N	309.181	1.429	50	20	DDGD	
N#Cc1cc(C(=O)NNc2nc(-c3cccnc3)no2)ccc1F	796342444	QDHFDRBLOFXUII-UHFFFAOYSA-N	324.275	1.899	50	20	DDGD	
O=S(=O)(CBr)N1CCC(OC2CCC2)CC1	691828165	CZCYCJXPAYNYTA-UHFFFAOYSA-N	312.229	1.702	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C[C@H]1CCCSC1	794918363	SUKCZXZKNPTRGN-LLVKDONJSA-N	306.391	1.057	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)Cc1cccc2ccccc12)C1CC1	791492098	FSODNGGDCLIOBP-QGZVFWFLSA-N	312.369	1.955	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cccc2c1OCC[C@H]2OC	790569359	VSVBNFDKABYZIU-GFCCVEGCSA-N	323.349	1.346	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCOC1)c1cc(F)c(F)cc1Cl	792613899	PPFLSPQDDPUWAP-ZCFIWIBFSA-N	304.680	1.416	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=O)NCC(F)(F)F)s1	798315352	GIILBDWNTNKLMY-UHFFFAOYSA-N	310.301	1.520	50	20	DDGD	
O=C(O)Cn1cc(C=NNC(=O)c2ccc[nH]2)c2ccccc21	799873633	JGXWNHUBGRGPMF-UHFFFAOYSA-N	310.313	1.818	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNc1ccc(Cl)c(OC)c1	790179080	ITMHXSCHZXDJBP-MRVPVSSYSA-N	300.742	1.991	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1cccc2c1CCO2	797671137	HHFKYRHXCUFZPP-UHFFFAOYSA-N	301.306	1.120	50	20	DDGD	
OB(O)[C@H]1CCN(Cc2c(F)ccc(Br)c2F)C1	585077270	STRDZZMZKMFPPH-ZETCQYMHSA-N	319.942	1.776	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2cnc3ccccn23)CC1	1319489509	IYJNKHAJEVSVTI-UHFFFAOYSA-N	313.405	1.906	50	20	DDGD	
COc1ccc(C=NNC(=O)OC(C)(C)C)cc1OCC(N)=O	1317699454	UDXSBZDDFFXSQV-UHFFFAOYSA-N	323.349	1.418	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccnc(F)c2F)cc1	1326787134	KFRCGVGSWDUTMC-UHFFFAOYSA-N	307.256	1.443	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCCN2CC=CC2)cc1	1323484256	WHYNBVGFYVOMDL-SSZFMOIBSA-N	311.385	1.980	50	20	DDGD	
Cc1ccc(C)c2c1NC(=O)C2=NNC(=O)C[n+]1ccccc1	1248608917	MMJUKRPOYPWQHL-UHFFFAOYSA-O	309.349	1.064	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CCCC(=O)OC(C)(C)C	1326332362	DEKMJUJPDXUKTA-UHFFFAOYSA-N	303.428	1.402	50	20	DDGD	
COc1cccc(CC(=O)NNC(=S)NC(C)C)c1Cl	1327754752	JEAFFGUXKVBLEX-UHFFFAOYSA-N	315.826	1.795	50	20	DDGD	
O=C(Nc1cccc(CN2CCCC2)c1)c1ccc(B(O)O)cc1	1329259057	WREKKQGRLQMNBH-UHFFFAOYSA-N	324.189	1.215	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1CCO[C@@H](c2ccccn2)C1	1330891396	CBIIIKMCNBAGKU-ZYHUDNBSSA-N	308.338	1.214	50	20	DDGD	
O=C(NN=C1c2ccccc2CC12CCOCC2)c1cccnn1	1331983648	OFLACSHIYXRKBQ-UHFFFAOYSA-N	322.368	1.964	50	20	DDGD	
CC(=O)N1C[C@H]2CN(C(=O)c3cccc(CCl)c3)C[C@H]2C1	1336014407	HQNGYPYVGRTDOK-GASCZTMLSA-N	306.793	1.976	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@@]2(C)CCOC2)cc1	1256696972	LYNURRPMOKZIOG-HNNXBMFYSA-N	306.366	1.332	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)N2CCC(F)CC2)C[C@H]1Br	1332247778	BVQRVSTVMSUBPV-SKDRFNHKSA-N	321.190	1.237	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NC[C@H]1C[C@H]2C=C[C@H]1C2	1333891312	JXCSKQOELRLVCU-SGMGOOAPSA-N	317.364	1.911	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2nccnc2C2CCC2)no1	1341987506	ZJFQNJAQQJZWFH-UHFFFAOYSA-N	316.321	1.122	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)N[C@@H]1CCC[C@H](F)C1	1349077134	QZIRFCGHBNJWHS-NWDGAFQWSA-N	311.332	1.979	50	20	DDGD	
Cc1cccc(C)c1CN(C)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	1340401772	UQNAUNINXYWMCA-KGLIPLIRSA-N	319.405	1.901	50	20	DDGD	
Cc1ccccc1C1=NO[C@H](C(=O)NNC(=S)NC(C)C)C1	1353971940	FLMZVGLABJDTQJ-ZDUSSCGKSA-N	320.418	1.392	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)c1nc2ccccc2s1	1353790987	WJDFWLOGZUWWDY-MWLCHTKSSA-N	319.386	1.872	50	20	DDGD	
Cc1cc(NC(=O)/C(C#N)=C\c2cnn(C)c2)cc(C(=O)O)c1	1600249259	DPHOALGNHDTBJM-ACAGNQJTSA-N	310.313	1.972	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2CC2(F)F)o1	1603406948	HLZCVHSUTIFWIB-YFKPBYRVSA-N	313.268	1.076	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CC[C@@H]3[C@@H](C2)C3(F)F)nc1	1602384321	DVXJPXLMEHRIRB-SZEHBUNVSA-N	311.288	1.904	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc1	1608780887	IQPUFAHQAQJRCV-JYKNGBAOSA-N	302.330	1.180	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1cnccc1-c1nn[nH]n1	1609404448	ZJSQKBGMLAXLLV-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
Cc1cc(C(=O)NN(C)c2ccccc2)ncc1-c1nn[nH]n1	1605621506	IRRGVEPHHFGQCK-UHFFFAOYSA-N	309.333	1.351	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)O)CC2(CCC2)C1)c1ccccc1	1601553413	HDNHQQYRYJNFTQ-UHFFFAOYSA-N	302.330	1.483	50	20	DDGD	
Cc1nc2cccc(C(=O)NNc3ccc(C(=O)O)cn3)c2[nH]1	1610559444	XOMAYMOQQJXUOE-UHFFFAOYSA-N	311.301	1.721	50	20	DDGD	
CCc1ccc([C@H](C)CC(=O)NNC(=O)[C@@H]2CCCNC2)cc1	1578253828	NIPNHRUECFLWRW-CZUORRHYSA-N	317.433	1.890	50	20	DDGD	
C[C@@H](CN)NC(=O)NNc1cccc(F)c1Br	1579396152	ZYPMYAAQUYKPBJ-LURJTMIESA-N	305.151	1.562	50	20	DDGD	
COc1cccc2c1CC[C@]2(N)C(=O)NNc1ccc(C#N)cc1	1579291660	NYTJAXOAFWDIDD-GOSISDBHSA-N	322.368	1.810	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@@H]2C[C@@]23CCCNC3)o1	1575866775	BTCMCSSMFATIHR-ZUZCIYMTSA-N	303.366	1.502	50	20	DDGD	
CC(C)[C@H](O)C(=O)N1CCCC12CN(C(=O)C(Cl)Cl)C2	1841422996	CPLIDRMASXWZQL-VIFPVBQESA-N	323.220	1.010	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCC#N	1847867220	RMZKPETZWYJNAN-AVGNSLFASA-N	311.813	1.899	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1ccccc1OCC(=O)O	1589010752	GVRDZACTSIOLEP-AAEUAGOBSA-N	320.345	1.415	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](CC)NC)C1	1843005123	JCFAPSUXEZUHEV-NWDGAFQWSA-N	315.845	1.205	50	20	DDGD	
O=C(CCc1ccc(Cl)cc1Cl)NNC(=O)[C@H]1CCN1	1580544106	AZLJUOZLFBUSAQ-LLVKDONJSA-N	316.188	1.435	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCO[C@H](C(=O)O)C1	1594601672	PJRBIVTYFDKETG-YLBKJLTLSA-N	304.277	1.045	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2cccn2CC(=O)O)cc1	1594373750	XRTQWLKQRWJWJV-UHFFFAOYSA-N	314.345	1.443	50	20	DDGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)O)c1C	1593955922	CGMHYTNWDQHGDK-JBARUQGQSA-N	320.345	1.847	50	20	DDGD	
O=C(O)CCOc1cccc(C=NNC(=O)c2ccnnc2)c1	1776081435	OPVKFAZQEPPGLB-UHFFFAOYSA-N	314.301	1.094	50	20	DDGD	
COc1ccc(C)c(C=NNC(=O)[C@H]2CCO[C@H]2C)c1C(=O)O	1776082220	DJHDUSXGKVOHEI-QWRGUYRKSA-N	320.345	1.577	50	20	DDGD	
O=C(NN=Cc1ccn([C@H]2C[C@H](C(=O)O)C2)n1)[C@H]1CCCS1	1776081694	BFIVCYIWACAVQV-YUSALJHKSA-N	322.390	1.265	50	20	DDGD	
CC1=C(C(=O)NNC(=O)COc2cc(C)ccc2C)CCCO1	158337560	MHMBSEMVLRMADQ-UHFFFAOYSA-N	318.373	1.914	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)Sc2ccccn2)[nH]n1	151167696	DWYKKVKUJRRNII-SECBINFHSA-N	305.363	1.055	50	20	DDGD	
Cc1cc(C)n(-c2ccccc2NC(=O)NNC(=O)CCO)n1	155673217	IWLSDZGXHWZKQF-UHFFFAOYSA-N	317.349	1.024	50	20	DDGD	
O=S(=O)(NCC[C@@H](O)C1CC1)c1ccc(CCl)cc1	908311639	FUAFCIDLCVSXJF-CYBMUJFWSA-N	303.811	1.865	50	20	DDGD	
ICCN1CCO[C@H]([C@@H]2CCCO2)C1	190933843	WVFHQMRPHSGTBY-UWVGGRQHSA-N	311.163	1.301	50	20	DDGD	
CC(=O)NNC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C	299667165	ZDGNPLZQLYTOOY-ZDUSSCGKSA-N	307.350	1.105	50	20	DDGD	
CC(C)C[C@H]1COCCN1S(=O)(=O)CBr	782443895	AVAFIYAIOZZOCJ-VIFPVBQESA-N	300.218	1.416	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)Cn2ccc3ccccc32)no1	104776085	TUTYAFJOSVSHOL-UHFFFAOYSA-N	313.317	1.791	50	20	DDGD	
CCC(C)(C)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12	102633119	HZHNVFIZJCTYKK-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@H]1C[C@@H]1C1CC1	177610190	LEJLZKQLLGNNLU-NEPJUHHUSA-N	304.346	1.268	50	20	DDGD	
Cc1cc(C)cc(C(=O)NCC(=O)NNC(=O)CC(C)(C)C)c1	103199161	UUGLCKMTPBQFKU-UHFFFAOYSA-N	319.405	1.617	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(C(F)(F)F)nc1	110761257	ORHNWQJYQAHKBN-UHFFFAOYSA-N	313.239	1.207	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1coc(-c2ccccc2)n1	119704879	GSHPIZHPURBTJI-UHFFFAOYSA-N	322.324	1.740	50	20	DDGD	
CN(C)C1(C(=O)NNc2nc(-c3ccncc3)no2)CCC1	119385110	HXMRJOULDIMZOD-UHFFFAOYSA-N	302.338	1.059	50	20	DDGD	
CC[C@@H](C)N(C)CCNC(=O)NNc1cccc([N+](=O)[O-])c1	66196923	IQWBQDWZXJFSGJ-LLVKDONJSA-N	309.370	1.951	50	20	DDGD	
Cc1cc(C)cc([C@H](C)NC(=O)NNC(=O)c2cnn(C)c2)c1	117966241	KIYLOFCWRGBGOZ-LBPRGKRZSA-N	315.377	1.742	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1ccc(-n2cccn2)cc1	119688356	ZXVPGIKUQNBYPR-UHFFFAOYSA-N	315.377	1.749	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1n[nH]c2ccccc2c1=O	118503917	YETTUMYRWPTQFB-UHFFFAOYSA-N	316.708	1.123	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cc(Br)ccc1O	28814171	RPUGAPFLAUCQHS-UHFFFAOYSA-N	315.167	1.962	50	20	DDGD	
CCOC(=O)NNC(=O)C[C@H](NC(C)=O)c1ccc(C)cc1	23241837	YBVREYRBEGDMRX-ZDUSSCGKSA-N	307.350	1.340	50	20	DDGD	
CC(C)CNC(=O)NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1	111787570	QPWZZELLQJKOKQ-UHFFFAOYSA-N	321.385	1.157	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNC(=O)Cc1ccccc1F	66928394	QMUWQLAARGDZPV-UHFFFAOYSA-N	323.368	1.212	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1ccccc1)c1cccc(Cl)c1	173618431	NROBSVSRFVSREI-ZDUSSCGKSA-N	304.733	1.835	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2CC[C@@H](C)[C@H](C)C2)n1	122600665	ZMGNSHXTEKOUMI-GHMZBOCLSA-N	324.450	1.119	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNc1cc(F)c(F)cc1F	128051348	NTDUWIWRGWCYKL-UHFFFAOYSA-N	305.256	1.682	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNC(=O)COCc1ccccc1	124457317	VJDARAJWZZFWIW-UHFFFAOYSA-N	316.361	1.015	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@H](c1ccco1)N1CCCC1	79204364	AZZPGGHACYGMBZ-GFCCVEGCSA-N	322.409	1.793	50	20	DDGD	
CCCc1nnc(S[C@H](C)C(=O)NNC(=O)CC(C)C)o1	122133039	DQEMPJKZIRTWKC-SECBINFHSA-N	314.411	1.696	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(COC(C)(C)C)on2)[nH]n1	184977513	ZWBAQOGYXNWXOX-UHFFFAOYSA-N	321.337	1.096	50	20	DDGD	
CCCC(=O)N1CCC[C@H]1C(=O)NNc1cc(Cl)ccn1	182994857	NPSKYHNXTLEFSX-NSHDSACASA-N	310.785	1.969	50	20	DDGD	
O=C(NC[C@H]1CCCS1)NNc1ccc(-n2cccn2)nn1	127279281	PTFFWZYTDXYIGO-SNVBAGLBSA-N	319.394	1.184	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)c1c[nH]c2ccccc12)C1CC1	127059855	CMUPECKKYPQMOV-CQSZACIVSA-N	316.361	1.537	50	20	DDGD	
CC(C)(C)OC(=O)N(CC(=O)NNc1ccncc1)C1CC1	180497914	PZCXZPVLZGBIJG-UHFFFAOYSA-N	306.366	1.924	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc(C(=O)NC2CC2)c1	183399602	KLRUNMHTTIYZOG-SNVBAGLBSA-N	318.377	1.778	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)[C@H](O)c1ccccc1	73259648	LGYQUJUFNKVFDS-GFCCVEGCSA-N	311.301	1.308	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)C(C)(C)CCOC)n1	185429739	GQMYBVBHVQFFNH-UHFFFAOYSA-N	309.414	1.829	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1cccnc1	134478791	IFNVNWQZHNRUAL-UHFFFAOYSA-N	320.692	1.718	50	20	DDGD	
CSc1ccccc1NC(=O)NNC(=O)c1cc(C)n[nH]1	182799705	XEPZSDVJNZOCSJ-UHFFFAOYSA-N	305.363	1.907	50	20	DDGD	
CCC(CC)N1C[C@@H](C(=O)NNc2ccnc(F)c2)CC1=O	182536666	AZJYPCBMBPSEMQ-JTQLQIEISA-N	308.357	1.701	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NC1CCCC1	42297805	TVCKWKRJJCASSH-UHFFFAOYSA-N	305.378	1.901	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1	46705055	BAORGCKEFZXIEZ-LLVKDONJSA-N	301.346	1.957	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCCCOC[C@H]1CCCO1	45162746	SNZRSAUAHDASSY-LLVKDONJSA-N	317.386	1.311	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCCCC2)c1cn[nH]c1	192807416	ZULKAUAQMPXLCN-UHFFFAOYSA-N	304.375	1.815	50	20	DDGD	
C[C@H](OC1CCCCCC1)C(=O)NNc1nccn(C)c1=O	133740006	GAUMRQUFXKWPNZ-NSHDSACASA-N	308.382	1.351	50	20	DDGD	
C[C@H](CBr)CN1CCC(N2CCNC2=O)CC1	133646107	SNAFFMCNQCNBIQ-SNVBAGLBSA-N	304.232	1.507	50	20	DDGD	
O=C(NNC(=O)c1ccc(F)cc1Br)NC1CC1	49151066	BMCQYPYYHBMTRD-UHFFFAOYSA-N	316.130	1.695	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H](C)N2CCSCC2)cc1	132863321	XCJQYIHWZQFLIJ-GFCCVEGCSA-N	321.446	1.447	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc(F)cc1[N+](=O)[O-]	132282056	VVFFFKGASZPTKP-UHFFFAOYSA-N	306.253	1.147	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)Nc1ccccn1	48348746	GMGNHRIJRPKPKA-UHFFFAOYSA-N	309.329	1.958	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12	247325196	GOXFFWJGZLVXLY-RBJBARPLSA-N	301.346	1.381	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(OCCC(N)=O)cc1	269455291	DYSBWGCIUQIXSD-ZHACJKMWSA-N	303.318	1.323	50	20	DDGD	
O=C(NCCC1CC1)NNC(=O)c1ccc2c(c1)OCCO2	266494181	DRDPQHCUDQPMSO-UHFFFAOYSA-N	305.334	1.202	50	20	DDGD	
CC1(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)CCC1	267381004	RYCICPHKGBSOEY-UHFFFAOYSA-N	310.375	1.041	50	20	DDGD	
C[C@H](O)C[C@@H](CNC(=O)NNC(=O)C1CCC1)c1ccccc1	268313591	IEDWCRMNYXILPG-WFASDCNBSA-N	319.405	1.672	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C(C)=O)cc1	274106043	YDLUICRBPVIMTL-VIFPVBQESA-N	305.334	1.021	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2CC(C)(C)OC2(C)C)n1	272324379	MINIHVQRXQJEQU-SNVBAGLBSA-N	323.397	1.766	50	20	DDGD	
COC(C)(C)CC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	278795389	NAFGPOIKANNMDU-UHFFFAOYSA-N	321.377	1.204	50	20	DDGD	
COC(=O)NNC(=O)c1nc(C2CC2)ncc1Br	277902682	RIHACLLCNAEPID-UHFFFAOYSA-N	315.127	1.117	50	20	DDGD	
CCOC(=O)C1(C(=O)Oc2ccc([N+](=O)[O-])cc2OC)CC1	272741455	HFDHIJDBVNZAKU-UHFFFAOYSA-N	309.274	1.852	50	20	DDGD	
CCN1CCOC[C@@H]1C(=O)NNc1ccc(C#N)c(Cl)c1	364932575	HIZTYDMSISITOK-CYBMUJFWSA-N	308.769	1.375	50	20	DDGD	
CC(=O)N1CC[C@@](C)(C(=O)NNc2ccccc2[N+](=O)[O-])C1	364323369	YAYQGKYVHNGJCI-CQSZACIVSA-N	306.322	1.296	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNc2nc(O)c3cnn(C)c3n2)CC1	275654416	CXKGELCNSHOFCP-MGCOHNPYSA-N	318.381	1.728	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1nnc(C2CC2)s1	273555846	DCGKFIHBRXMMRT-UHFFFAOYSA-N	313.383	1.385	50	20	DDGD	
Cc1ccnc(-n2nccc2NC(=O)NNC(=O)C2CC2)c1	276487840	PLMJROBVRLPELU-UHFFFAOYSA-N	300.322	1.138	50	20	DDGD	
CCN(C[C@H]1CCCO1)C(=O)NNC(=O)c1cccc(C)n1	279700822	REJYRMNRXDWBTE-GFCCVEGCSA-N	306.366	1.245	50	20	DDGD	
C[C@H]1CCC[C@H]1CC(=O)NNc1nc(O)c2cnn(C)c2n1	274411229	IYIFJWDUDIIHAO-IUCAKERBSA-N	304.354	1.338	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCCOCC1	271893536	FXCZATNHDYBKMC-LLVKDONJSA-N	322.321	1.108	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@@H]2CCOc3ccccc32)n1	370942814	SKMZXYWPYPKFDG-GFCCVEGCSA-N	313.361	1.552	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)N[C@@H]1CCC1(C)C	286461094	ICDUEEYVLCNWEG-CYBMUJFWSA-N	321.377	1.593	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@H](C)C(F)(F)F	288629558	NSJVLDRFQYCZQP-MRVPVSSYSA-N	319.283	1.519	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(O)ccc1C(F)(F)F	281221735	OJXUPUAHOGYOEK-UHFFFAOYSA-N	305.256	1.717	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NNC(=O)c1ccc(C)s1	281932188	WTCQDDNVKFNRKR-WCQYABFASA-N	323.418	1.982	50	20	DDGD	
CC[C@@H]1C[C@H]1NC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	280881112	ZERWUKKNHIASPR-CKYFFXLPSA-N	309.341	1.722	50	20	DDGD	
COCCN(C)NC(=O)c1cc(C)nc2c1cnn2C(C)C	288520190	NOCNAZQSUHKSTC-UHFFFAOYSA-N	305.382	1.544	50	20	DDGD	
CCC[C@@H](CNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)OC	297775256	WNMHLVSGJJBZQD-LBPRGKRZSA-N	324.337	1.354	50	20	DDGD	
Cn1nccc1[C@@H]1CCCN(C(=O)NNC(=O)C2CCCC2)C1	801055158	HGNWRVIRRVIMPS-CYBMUJFWSA-N	319.409	1.531	50	20	DDGD	
O=C(Cc1ccoc1)NNC(=O)Nc1ccc2c(c1)OCO2	802103861	KVUXZXCWFREOTK-UHFFFAOYSA-N	303.274	1.404	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@@H]2CCCO2)c(C)c1	292179481	QIFYZEZRWNFCDR-LBPRGKRZSA-N	308.403	1.722	50	20	DDGD	
O=C(COC[C@@H]1CCCO1)NNc1ccc2c(=O)[nH]ccc2c1	803427860	IEWVNTYWMUSSRQ-ZDUSSCGKSA-N	317.345	1.167	50	20	DDGD	
COCc1cnc(NC(=O)C(=O)NNc2ccc(C)cc2)s1	806997061	BXWHFOXJCHTDEU-UHFFFAOYSA-N	320.374	1.680	50	20	DDGD	
O=Cc1ccc(OCC(=O)NNC(=O)Nc2ccccc2)cc1	801988405	YRLSTWLDZXHOTD-UHFFFAOYSA-N	313.313	1.731	50	20	DDGD	
C=CCOc1ccc(/C=C/C(=O)NNC(=O)N(C)C)cc1OC	299381154	NVYXPOAICUCHFU-VQHVLOKHSA-N	319.361	1.576	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H](F)C(F)(F)F)c1	809949121	ZMPVDLYXGIQOAG-SECBINFHSA-N	324.230	1.365	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2Cl)N1	298286298	CVOVIEVSJXFBHG-VIFPVBQESA-N	316.144	1.033	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1CCN(c2ccccc2F)C1	290591518	ULTJEGPXGGVYCS-LLVKDONJSA-N	322.409	1.333	50	20	DDGD	
COCCN(C)NC(=O)c1cc(-c2ccc(OC)cc2)[nH]n1	808074078	XBSJGWQKFLSDNV-UHFFFAOYSA-N	304.350	1.308	50	20	DDGD	
COCc1cnc(NC(=O)NNc2ccc(Cl)nn2)s1	806606659	KQXRDMHTEADIPG-UHFFFAOYSA-N	314.758	1.882	50	20	DDGD	
COc1cccnc1CC(=O)NNc1cccc(F)c1[N+](=O)[O-]	807444474	DVEUHDSDXZOODQ-UHFFFAOYSA-N	320.280	1.823	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H](c2ccccc2)C2CC2)O1	294048523	YVHOKKLHJNBIGZ-CQDKDKBSSA-N	302.374	1.895	50	20	DDGD	
CC(C)[C@@H]1NCC[C@@H]1C(=O)NNc1nc(-c2ccncc2)no1	290101198	IAHWZJYMPKQQEW-RYUDHWBXSA-N	316.365	1.209	50	20	DDGD	
COc1cccc([C@@H](C)CC(=O)NNC(=O)[C@H]2CCCCO2)c1	295249542	ABSZWVHLRZBURK-SWLSCSKDSA-N	320.389	1.905	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CCc2ncc[nH]2)c(C)c1	806365423	OOYKFXNJNVNQCS-UHFFFAOYSA-N	315.377	1.219	50	20	DDGD	
CC[C@@H](Cc1ccccc1C)C(=O)NNC(=O)c1cnn(C)c1	819296985	IANXCOOURHCDND-ZDUSSCGKSA-N	314.389	1.758	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@](C)(OC)C2CC2)n1	812533426	SKTJLLGCEXWAJX-HNNXBMFYSA-N	307.398	1.581	50	20	DDGD	
C[C@H](C(=O)NNC(=O)NCC1CC1)[C@@H]1OCCc2sccc21	814627194	VRKVPQKIEHWAGX-ZANVPECISA-N	323.418	1.738	50	20	DDGD	
CS(=O)(=O)CC1CCC(=NNC(=O)N=c2cc[nH]cc2)CC1	815001948	FNTHXYZNLRUOBS-UHFFFAOYSA-N	324.406	1.216	50	20	DDGD	
O=C(Cc1cncn1Cc1ccccc1)NNC(=O)CC1CC1	819136149	NKSQDTXQJHTDGN-UHFFFAOYSA-N	312.373	1.421	50	20	DDGD	
CON1CCC(NC(=O)NNc2cc(F)c(F)c(F)c2)CC1	817805007	FPTKVNTWGBUTIU-UHFFFAOYSA-N	318.299	1.756	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)C1CCCC1)NC(=O)C1CCCCC1	727305340	ZQJWAYIVYNCQMX-LBPRGKRZSA-N	323.437	1.799	50	20	DDGD	
C[C@@](C#N)(CC(=O)O)C(=O)NNC(=O)c1cccc(Cl)c1	819848134	QISFPNOLXTXEJI-ZDUSSCGKSA-N	309.709	1.106	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=C2CC[C@H]2C2CC2)c1	814801257	DANFJAWCOFNZFG-ZDUSSCGKSA-N	306.387	1.996	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2ncncc2F)CCO[C@@H]1C1CC1	814320839	GSQQUCXTCBZHLS-RISCZKNCSA-N	309.345	1.447	50	20	DDGD	
CCN1CCC(CNC(=O)NNc2cccc([N+](=O)[O-])c2)CC1	726275782	YZPFQRWIUQFIIN-UHFFFAOYSA-N	321.381	1.953	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H](C1CC1)C(F)(F)F	826809139	JSQJQSWYHVUEQM-XVYDVKMFSA-N	309.288	1.083	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(OC(F)F)c(OC)c1	825686166	UUBSVEIYCGOLPS-UHFFFAOYSA-N	305.237	1.689	50	20	DDGD	
COCCN(C)NC(=O)CC1(CNC(=O)OC(C)(C)C)CC1	495937130	UQUXADGTRATTMM-UHFFFAOYSA-N	315.414	1.291	50	20	DDGD	
COC(=O)CCn1nc(C)c(C=NNC(=O)C2CCCC2)c1C	727062532	ZAKDSJHHXWBETK-UHFFFAOYSA-N	320.393	1.703	50	20	DDGD	
O=C(COC1CCCC1)NNc1cccc(-c2nn[nH]n2)c1	826416862	UANNMXNVQKHZQN-UHFFFAOYSA-N	302.338	1.269	50	20	DDGD	
CCOc1cc(/C=C\C(=O)NNC(=O)c2ccc[nH]2)ccc1O	492407008	NXTFUXDUBFHNKL-VURMDHGXSA-N	315.329	1.593	50	20	DDGD	
CC1(C(=O)NNC(=O)NCCc2cccs2)CCOCC1	726770357	SIECGCVDFRDQJV-UHFFFAOYSA-N	311.407	1.438	50	20	DDGD	
CN(NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1)C(N)=O	492260970	UXIBWPUAVQSYRB-UHFFFAOYSA-N	323.353	1.013	50	20	DDGD	
Cc1cnn(CC(=O)NNC(=O)c2cccc(OC(F)F)c2)c1	728486287	TZKGTJKCJQVSEN-UHFFFAOYSA-N	324.287	1.254	50	20	DDGD	
C[C@@H](CNCc1ccccc1B(O)O)c1ccc(F)c(F)c1	585027733	YZWHSJKLOJZVMM-NSHDSACASA-N	305.133	1.538	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCCNC(=O)OCc1ccccc1	823971229	RDIGBRPQXHGONV-CYBMUJFWSA-N	323.393	1.037	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCc3sc(Cl)cc32)cc1	585040373	DKHFQNRREQHPHK-LBPRGKRZSA-N	307.611	1.858	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)/C=C/[C@H]2CCOC2)cc1C	493675228	QUAIUTXVLAVBBO-YVZNUBBCSA-N	318.373	1.422	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)C1(C(=O)C2CC2)CC1	826982920	VPNLYDBWPBWAHY-UHFFFAOYSA-N	300.358	1.444	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)cc1	824037554	SSTVEQHZNZUPKY-IPYPFGDCSA-N	301.390	1.991	50	20	DDGD	
CO[C@@H]1C[C@H](NC(=O)/C(C#N)=C\c2cnn(C)c2)C12CCC2	491088152	YRXGHIXJVYGZIA-PJWHXWNJSA-N	300.362	1.401	50	20	DDGD	
CC(C)NC(=O)NNC(=O)Cc1ccccc1O[C@@H]1CCOC1	825481588	OFEXNAZIRBKSHW-CYBMUJFWSA-N	321.377	1.136	50	20	DDGD	
CCOC(=O)C[C@H](C)CNC(=O)NNC(=O)OC(C)(C)C	494111999	AVMNMCUZGVWPIT-VIFPVBQESA-N	303.359	1.315	50	20	DDGD	
C[C@H](NCc1cccc(B(O)O)c1)c1ccc(OC(F)F)cc1	585015219	STSBIUYOXITMAM-NSHDSACASA-N	321.132	1.819	50	20	DDGD	
CCCN(CC1CCCCC1)C(=O)c1cc(B(O)O)ccc1F	584933353	FPDDPDQDQPKYNV-UHFFFAOYSA-N	321.201	1.938	50	20	DDGD	
CCS(=O)(=O)c1c(Cl)cccc1C=NNC(=O)OC	495557948	SKXHJFXLNVXDIT-UHFFFAOYSA-N	304.755	1.824	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNc1cccc(C(=O)OC)c1F	837058646	VREMFCFQGGMDGQ-ZDUSSCGKSA-N	323.368	1.930	50	20	DDGD	
CCC[C@H](C)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C	491440777	OQSIAHSEQUBUET-JTQLQIEISA-N	316.402	1.278	50	20	DDGD	
COC(=O)N1CCC(=NNC(=O)c2cccc(N(C)C)c2)CC1	490709676	DYTYTDVTUWCLOA-UHFFFAOYSA-N	318.377	1.701	50	20	DDGD	
CC(C)(C)c1n[nH]c(CNC(=O)NNC(=O)c2ccccc2)n1	838755898	IROZRFVJIDZMST-UHFFFAOYSA-N	316.365	1.246	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccccc2NC(=O)O)c1	739132417	PPJBIAUBOGCXTF-UHFFFAOYSA-N	324.296	1.723	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@@H](C)C[C@H](C)N)cc1	831223734	HXONYPDRPUUWIV-UWVGGRQHSA-N	309.370	1.157	50	20	DDGD	
CCOC1(c2nc(-c3ccc(B(O)O)cc3)no2)CCCC1	585053312	DGIHUQWHFIKUFF-UHFFFAOYSA-N	302.139	1.222	50	20	DDGD	
COc1ccc([C@H](C)[C@@H](C)NCc2ccc(B(O)O)cc2)cc1	585026491	NSLNDFKPWXUJJF-ZIAGYGMSSA-N	313.206	1.657	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccccc1CCC(=O)OC	900396420	YDDNPVMYWQEUEZ-UHFFFAOYSA-N	307.350	1.146	50	20	DDGD	
CN(C)c1cc(C(=O)NN=C2CCC(C(=O)O)CC2)ccn1	737957232	WAQSZEJVLFQPGH-UHFFFAOYSA-N	304.350	1.508	50	20	DDGD	
CCOC(=O)Cc1cccc(N(C)S(=O)(=O)CCl)c1	907916481	VQYNCSWTGWDFAN-UHFFFAOYSA-N	305.783	1.755	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)c2ccc3c(c2)OCO3)n1	834921869	XPMOOZNPMNGUPI-UHFFFAOYSA-N	301.306	1.099	50	20	DDGD	
O=C(O)CCCN1CCC(=NNC(=O)Cc2ccsc2)CC1	739672487	KNWQIECIIQWDCN-UHFFFAOYSA-N	323.418	1.723	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)CCCc2ccccc2)COC1	836273987	DLBQILANECQOKI-UHFFFAOYSA-N	319.405	1.766	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ncncc2Cl)[C@@H]2CCCC[C@@H]2N1	832672963	YIRAZSCOIIYDFC-QXEWZRGKSA-N	323.784	1.268	50	20	DDGD	
CN(C(=O)O)c1ccc(NC(=O)NNc2cnccn2)cc1	833685040	BRZAQOIFPCRLTH-UHFFFAOYSA-N	302.294	1.739	50	20	DDGD	
CC(C)COc1ccc(C=NNC(=O)C(=O)NC(C)C)cc1	730145291	TUWJUKFELPTOIN-UHFFFAOYSA-N	305.378	1.696	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cccc(Br)c1O	730277888	GCMSWLKERPFIEY-UHFFFAOYSA-N	315.167	1.962	50	20	DDGD	
COc1ccc(O)c([C@@H](C)NC(=O)NNC(=O)C(C)(C)C)c1	731499620	YGBOMCDLAKQPSJ-SECBINFHSA-N	309.366	1.838	50	20	DDGD	
C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CC[C@H](B(O)O)C1	585074474	AHPIXYGRHJPJRG-JSGCOSHPSA-N	319.210	1.827	50	20	DDGD	
OB(O)c1ccccc1CNc1ccccc1O[C@H]1CCOC1	585012114	MYUMTDMGEFVSDM-AWEZNQCLSA-N	313.162	1.146	50	20	DDGD	
CNC(=O)c1ccc(C=NNC(=O)Cc2ccc(F)cc2)cc1	912800158	ITRINAOHBDZWJK-UHFFFAOYSA-N	313.332	1.878	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@H]2CCOC3(CCC3)C2)o1	836580705	OBHGXOFUKJRZSZ-LBPRGKRZSA-N	321.377	1.881	50	20	DDGD	
CNC(=O)C[C@H](C)NC(=O)NNc1cc(C(F)(F)F)ccn1	836634299	ZSMYDLUPANDBKC-ZETCQYMHSA-N	319.287	1.251	50	20	DDGD	
C[C@@H](Sc1nncn1C)C(=O)NNc1cccc(C(=O)O)c1	833544971	LKQPFTITORMUGT-MRVPVSSYSA-N	321.362	1.137	50	20	DDGD	
CCn1nc(C(=O)NN=C2CCO[C@H]2C)c2ccccc2c1=O	747746635	KLVATVDTCZQUHJ-JTQLQIEISA-N	314.345	1.311	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H]1CC[C@H](SC)C1	743598904	NWCYOIJIWVVRBT-QWRGUYRKSA-N	323.418	1.923	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc(OCc2cccnc2)cc1	919879554	NNQZMYBUJWPZSY-UHFFFAOYSA-N	300.318	1.234	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(CC)cc1	915957510	LLCYPEUSUSCRFK-AWEZNQCLSA-N	322.430	1.914	50	20	DDGD	
O=C(O)c1cc(C=NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)ccc1O	844607835	AYSBEFBIQQDJDM-SUZMYJTESA-N	304.302	1.108	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)[C@@H]1CCCS1(=O)=O	847601220	MDOPFGUSPLLFIG-VIFPVBQESA-N	308.281	1.124	50	20	DDGD	
C[C@H]1CCN(C(=O)NNC(=O)c2ncccn2)CC12CCC2	841591860	HKRBROIKNUPUFB-NSHDSACASA-N	303.366	1.343	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NNC(=O)Nc1ccc(N(C)C)cc1	742024867	CATFQNIVXQRCJG-KHPPLWFESA-N	317.349	1.349	50	20	DDGD	
CCOC(=O)NNC(=O)Cc1c(C)nc2c(c(C)nn2C)c1C	916144141	KPIOMWDIPXGMQN-UHFFFAOYSA-N	319.365	1.213	50	20	DDGD	
CCn1ccc(CNC(=O)NNc2cccc([N+](=O)[O-])c2C)n1	840399010	JHUSKCPLLLNULV-UHFFFAOYSA-N	318.337	1.946	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@H](O)c1ccccc1C(F)(F)F	911444437	DKJUNOSAQOULLK-GZMMTYOYSA-N	306.284	1.083	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C[C@@H](C)c1ccccc1F	843648951	SJZBGVLVPULEOA-MDZLAQPJSA-N	308.353	1.892	50	20	DDGD	
CC(CCN(C)C)=NNC(=O)Cc1nc2ccccc2n1C	915946913	YBCZIHZAQMEFOI-UHFFFAOYSA-N	301.394	1.560	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccccc1	843276354	BGNAAOZKZZDLTL-GMXVVIOVSA-N	307.419	1.668	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc2c1CN(C)C2=O	841734117	FOHRHKSOVFDIQV-VIFPVBQESA-N	304.350	1.471	50	20	DDGD	
CC(=NNC(=O)Cc1ccncc1)c1ccc(CC(=O)O)cc1	747646890	ZRRLMJGVOAVESC-UHFFFAOYSA-N	311.341	1.792	50	20	DDGD	
Cc1cc(C)n2nc(C)c(C(=O)NNC(=O)c3ccccn3)c2n1	916724761	PGNIPQMGOGXGNO-UHFFFAOYSA-N	324.344	1.124	50	20	DDGD	
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NN(C)C[C@H](C)O	910177308	KQUBKSCVNOFPDF-JTQLQIEISA-N	322.796	1.792	50	20	DDGD	
O=C(COc1ccccc1F)NN=Cc1ccc(O)cc1O	916300683	SFLQRTXWEWAZOU-UHFFFAOYSA-N	304.277	1.766	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cc(N2CCOC2=O)ccc1F	741690761	KOHQJNAXYIMTJT-UHFFFAOYSA-N	321.308	1.343	50	20	DDGD	
CC(=O)N1CCC(C(=O)NNC(=O)CCc2ccccc2)CC1	749803941	MNAUGUWKQSOYJU-UHFFFAOYSA-N	317.389	1.025	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=C1CCN(Cc2ccccn2)CC1	842556844	PBOBJXPXNRDIRD-CZUORRHYSA-N	316.405	1.575	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1c(F)cc(Br)cc1F	910165064	FHOVELFDGGQRQG-LURJTMIESA-N	323.137	1.685	50	20	DDGD	
CCN1C[C@H](CNC(=O)/C(C#N)=C/c2ccc(F)cc2)CC1=O	846462205	DVVOHOJLTTYITH-PZMUVPOTSA-N	315.348	1.717	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@@H]1CCC[C@H](N)C1	841983822	XMZUZWJIUJBLFH-UONOGXRCSA-N	304.394	1.138	50	20	DDGD	
Cc1cc(C)n(CCC(=O)NNC(=O)c2ccc(C#N)cc2)n1	747176193	PIGXLLKRLGCFMG-UHFFFAOYSA-N	311.345	1.223	50	20	DDGD	
COCC[C@H](C)CNC(=O)NNC(=O)c1ccccc1OC	840399757	RFUUKZBZFUQKSN-NSHDSACASA-N	309.366	1.312	50	20	DDGD	
O=C(NCCCOC[C@@H]1CCOC1)NNc1ccc(F)cn1	740920555	PVRLBIUZVSWKGY-NSHDSACASA-N	312.345	1.290	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2c(c1)OCCCO2	843647884	ORLIVXLLRQZGOZ-ZYHUDNBSSA-N	320.345	1.034	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H]2Cc3ccccc32)c1O	743316825	IETLXYQSXSPPOR-CYBMUJFWSA-N	312.325	1.502	50	20	DDGD	
COc1ccc(CCC(=O)NN=C[C@@H](OC)[C@H]2CCOC2)cc1	841620872	LZIHEWTVYMIPFK-GOEBONIOSA-N	320.389	1.781	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2C[C@H](C)[C@@H](C)[C@H]2C)c1	842166850	OBBAIVIAVOOQMA-BFHYXJOUSA-N	303.406	1.732	50	20	DDGD	
N#C/C=C\Cn1nnc([C@H]2CN(Cc3ccccc3)CCO2)n1	840196624	SJVULSWJPBAFCS-FOSCPCJNSA-N	310.361	1.326	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(Cl)c(F)c1)[C@H](C)S(C)(=O)=O	841407428	DOBDYLVHANKVLK-SFYZADRCSA-N	322.789	1.991	50	20	DDGD	
COC(=O)/C=C\c1ccc(C=NNC(=O)NCC(F)(F)F)o1	848403476	UOZAGDKCOAHNTE-ZVLKLVHKSA-N	319.239	1.661	50	20	DDGD	
CN(C)c1ncc(CNC[C@]2(C)C[C@@H]2Br)n1C	856810236	WLHKMEDWDHNVPL-JQWIXIFHSA-N	301.232	1.749	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)CCOC1	754836940	QTJMDZGZPSTENH-MRXNPFEDSA-N	314.345	1.264	50	20	DDGD	
Cc1c(CCC(=O)NNc2ccc([N+](=O)[O-])cc2F)cnn1C	855623202	WGXPFOZSHDVYAA-UHFFFAOYSA-N	321.312	1.852	50	20	DDGD	
CC(C)C(=O)NNC(=O)Cn1nc(C(F)F)cc1C(F)F	929286713	FFMWHBDNELJEOF-UHFFFAOYSA-N	310.251	1.562	50	20	DDGD	
CN(C[C@@H]1COCCO1)C(=O)[C@@H](Br)C(C)(C)C	855681186	HBKRPTXNORGZTE-NXEZZACHSA-N	308.216	1.670	50	20	DDGD	
COc1ccc(OC)c(CC(=O)NNC(=O)c2cccnc2)c1	921187360	CVLFHYZFGNTNPE-UHFFFAOYSA-N	315.329	1.103	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C1CCCn2nccc21	853264702	OATVWBUZPRRSSC-UHFFFAOYSA-N	314.345	1.585	50	20	DDGD	
CS(=O)(=O)CCNC(=O)NNc1cc(F)cc(Cl)c1	853652747	VEMOLCZGZQWNSQ-UHFFFAOYSA-N	309.750	1.150	50	20	DDGD	
O=C1C[C@@H](CNC(=O)NNc2ccc(F)cc2Cl)CN1	922866247	MYLQORREYAYXIX-SSDOTTSWSA-N	300.721	1.241	50	20	DDGD	
CCOc1ncccc1C(=O)NNC(=S)NCC1CCC1	855093343	MZOIEFDVJULJNL-UHFFFAOYSA-N	308.407	1.389	50	20	DDGD	
CC(C)Cn1nccc1C(=O)NNC(=S)NCC1CCC1	855092579	KGOUWJKKOLRAII-UHFFFAOYSA-N	309.439	1.448	50	20	DDGD	
CCOc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cc1	853387208	OLNXSFMAGJELHD-ZBFHGGJFSA-N	317.389	1.399	50	20	DDGD	
CC(=NNC(=O)c1cccc(C(=O)O)c1)c1cc2n(n1)CCC2	853426291	KZHVRIZPCKJKHG-UHFFFAOYSA-N	312.329	1.682	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCCc1ccco1	852085874	JGCIZCUOOVAQIO-UHFFFAOYSA-N	317.345	1.865	50	20	DDGD	
CN(CCC(=O)NCCCSC#N)C(=O)OC(C)(C)C	854359959	CWESREFRIYNKDZ-UHFFFAOYSA-N	301.412	1.964	50	20	DDGD	
CC(C)(O)[C@@H](Oc1ccccc1)C(=O)NNc1cccc(F)n1	854442981	KDNROXAVFNRLSI-AWEZNQCLSA-N	319.336	1.882	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNc1ccc(C)c(C(=O)OC)c1	857266552	DLDPHJUZHCPCBQ-JTQLQIEISA-N	308.334	1.424	50	20	DDGD	
CC(C)(C)n1nnc(C=NNC(=O)COc2ccccc2F)n1	853265680	CXZNWJAIXXGTMF-UHFFFAOYSA-N	320.328	1.096	50	20	DDGD	
COc1nccnc1NNC(=O)c1cnc2n1CCCCC2	857180129	VGNXBBZDDHHFJB-UHFFFAOYSA-N	302.338	1.165	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@]1(C)CCC[C@@H]1C	854388623	QYXWWUKIICCAAP-SMDDNHRTSA-N	300.399	1.749	50	20	DDGD	
Nc1ccc(C(=O)NNc2ncccn2)cc1OC(F)(F)F	857434700	LAZMFEBDXMLFPL-UHFFFAOYSA-N	313.239	1.714	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccnc(N(C)C)c1)C1CC1	855101695	XVCQCLKFEKAICG-SECBINFHSA-N	307.423	1.055	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H]1CCCN1C1CCCC1)C1CC1	855098474	IBLMDEWJDJXIAP-FZMZJTMJSA-N	324.494	1.687	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cnc3n2CCCCC3)n1	857143615	OMDGLFWKUGGNDB-UHFFFAOYSA-N	316.365	1.473	50	20	DDGD	
CCn1nncc1C(=O)NNC(=S)Nc1cccc(C)c1C	854186433	LCXLCDDPBXTMSU-UHFFFAOYSA-N	318.406	1.546	50	20	DDGD	
O=C(COc1cccc(C(F)(F)F)c1)NN=Cc1cnc[nH]1	755506765	NRTAEXJGFWHDRE-UHFFFAOYSA-N	312.251	1.958	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccc(Cl)nc2)cn1	755833270	XVIWIPBJWMHVTK-UHFFFAOYSA-N	321.724	1.605	50	20	DDGD	
Cc1ccc(NNC(=O)NCCCCS(C)(=O)=O)cc1F	854187560	IWZRJORKLOXHCE-UHFFFAOYSA-N	317.386	1.585	50	20	DDGD	
C[S@](=O)CCN1CCN(/C(=C\C#N)c2ccc(F)cc2)CC1	755959759	UXOBKBZKNZQHDK-HLSNCYEYSA-N	321.421	1.686	50	20	DDGD	
CCCn1cccc1C=NNC(=O)CNC(=O)c1cccs1	750944065	QQUHPBHFXCJVTJ-UHFFFAOYSA-N	318.402	1.840	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CNC2(CC(C)C)CC2)n1	852682783	MLNAGCIADFLRHD-UHFFFAOYSA-N	324.450	1.310	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1cccc(-n2cccn2)c1	755931445	CBFLLICLECEJAK-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
CN(C)C(=O)CCCC(=O)NC[C@@]1(C)C[C@H]1Br	857733222	IBJJVJUTVMKUFR-BXKDBHETSA-N	305.216	1.535	50	20	DDGD	
CCC[C@H]1CCCC[C@H]1CNC(=O)NNC(=O)c1cn[nH]c1	858524882	LHFWQSAYRBSQAU-RYUDHWBXSA-N	307.398	1.960	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NC[C@H]1CCCS1(=O)=O	853869346	QXUSPZLPPBWXCV-LLVKDONJSA-N	315.370	1.337	50	20	DDGD	
CSc1ccc(C)c(NC(=O)NNC(=O)c2cnccn2)c1	757910002	HEPLUYHRLRQDBB-UHFFFAOYSA-N	317.374	1.973	50	20	DDGD	
COCCCOCCC(=O)NNc1ccc(F)cc1OC	857192937	OYMHEOABHPSTNP-UHFFFAOYSA-N	300.330	1.721	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cc(N(C)C)ccn1)C1CC1	855103640	XJXVJDRVVIIJKS-VIFPVBQESA-N	307.423	1.055	50	20	DDGD	
CCCC(=O)N1CCC[C@H]1C(=O)NNc1ccnc(Cl)c1	855468689	GYDPOCYSNVYAIK-NSHDSACASA-N	310.785	1.969	50	20	DDGD	
COc1ccc(CN2CCC(=NNC(=O)C(C)(C)C)C2=O)cc1	853290925	ORXHBTNGFWXQOB-UHFFFAOYSA-N	317.389	1.946	50	20	DDGD	
O=C(/C=C/c1cncc(O)c1)NNC(=S)NCC1CCC1	855089273	JZSYFTGOFRRIII-SNAWJCMRSA-N	306.391	1.096	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)c(C2CC2)n1	868619852	UNSZPXNJCOOALC-LBPRGKRZSA-N	306.366	1.111	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C	860128621	POEHBMKDOYHVLE-QCQGSNGOSA-N	304.390	1.744	50	20	DDGD	
CC(=O)OCC(C)(C)CC(=O)NNC(=O)c1cc(C)cs1	862478137	YYLOQWWIIWJPDU-UHFFFAOYSA-N	312.391	1.797	50	20	DDGD	
O=C(NCCc1ccncc1)NNc1ncnc2ccsc12	767099084	RNYSRMOQWMHEMO-UHFFFAOYSA-N	314.374	1.955	50	20	DDGD	
CN(C)c1ncccc1C(=O)NNc1ncnc2ccsc12	766674695	YFBMJVSOAJXHAE-UHFFFAOYSA-N	314.374	1.909	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(F)cc([N+](=O)[O-])c1	764482633	ZLUQUBMFAVCJKC-UHFFFAOYSA-N	307.241	1.289	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1noc2c1CCCC2	863093557	RUUIWDHOJHYEGO-UHFFFAOYSA-N	313.226	1.985	50	20	DDGD	
O=C(c1csc(-c2ccc(O)cc2)n1)N1CC[C@@H](B(O)O)C1	864231758	RSOWECVNFIZDLZ-SNVBAGLBSA-N	318.163	1.205	50	20	DDGD	
CC(C)Cc1ncc(C(=O)NNC(=O)NCC(F)(F)F)s1	935803041	RFHKMBQZRVDQPX-UHFFFAOYSA-N	324.328	1.848	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)C)n1	862522990	NXVHJHZONPBTLB-ZDUSSCGKSA-N	321.425	1.955	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2c3c(nn2C)CCCC3)o1	765812889	MFFAYCXBGWTHHW-UHFFFAOYSA-N	302.334	1.275	50	20	DDGD	
C[S@](=O)C1(CNS(=O)(=O)CC(C)(C)CCl)CCC1	867223512	KWDDMQBSURGTAJ-KRWDZBQOSA-N	315.888	1.472	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1coc(C2CCC2)n1	769627997	UFENLGTZISYNBP-QMMMGPOBSA-N	309.322	1.045	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2ccn(C)c2)cn1	763763321	SCZZJAWOCLLPBS-UHFFFAOYSA-N	305.363	1.060	50	20	DDGD	
C/C(=C\c1cccc(Cl)c1)C(=O)NNC(=O)[C@H]1CCC(=O)N1	862457523	LCVWYOWSVMZWBW-YPUOHESYSA-N	321.764	1.169	50	20	DDGD	
CCN(CC)[C@@H](C(=O)NNC(=S)NC(C)C)c1ccccc1	1116016159	SIMAJJQQSPSFBT-CQSZACIVSA-N	322.478	1.973	50	20	DDGD	
CC(C)COC[C@H](O)CNC(=O)[C@H](Br)C(C)(C)C	768264971	PDRUNHGVLOIYHE-MNOVXSKESA-N	324.259	1.946	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc(C(N)=O)c(C)c2)n1	775601128	PKHFJXRPKUUYNC-UHFFFAOYSA-N	316.321	1.041	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CCC(C)(F)F	772018834	BTRFPDVTLXOPCI-VIFPVBQESA-N	308.325	1.547	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@H]1c1ccc(F)cc1)c1cn[nH]c1	1118863775	BSRVXQUNPLFRKF-ZDUSSCGKSA-N	317.324	1.740	50	20	DDGD	
CCS(=O)(=O)c1ccc(F)c(C(=O)NNc2cnccn2)c1	775278778	MKGVUBHMLCUQEU-UHFFFAOYSA-N	324.337	1.166	50	20	DDGD	
Cc1ccc(C(=O)NCC(=O)NNc2cccc(C#N)c2)s1	1118774270	LBBOGMQWVUSGOS-UHFFFAOYSA-N	314.370	1.801	50	20	DDGD	
C[C@@]1(CNC(=O)CCc2cnc(N)s2)C[C@@H]1Br	876983998	BSDLSBCZTLYYIU-KWQFWETISA-N	318.240	1.948	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](SC)c1ccccc1	772143678	REXPJKMLAVPWNG-GXFFZTMASA-N	324.402	1.580	50	20	DDGD	
CCCCn1ncc(C(=O)O[C@H](C)C(=O)NNC(=O)CC)c1C	772206224	GLTDLBWGKGEPIK-LLVKDONJSA-N	324.381	1.094	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)c2ccccc2F)nc1	775087656	XOINIVMAMRUGTE-UHFFFAOYSA-N	318.308	1.374	50	20	DDGD	
Cc1nc(C)c(CC(=O)OC[C@H](C)CBr)c(O)n1	770338424	DADGRBNYDMJEKA-SSDOTTSWSA-N	317.183	1.916	50	20	DDGD	
Cn1ccc(NNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)n1	1116836912	KIZDNKMHIFEYPN-JTQLQIEISA-N	303.297	1.128	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)o1	770813140	CXPWGSXMCUAPDB-UHFFFAOYSA-N	316.269	1.286	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)c1nccs1	772935592	XMVXJPHJMLRQER-UHFFFAOYSA-N	312.445	1.556	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)C1CCOCC1)c1ccc(F)cc1	883072787	YUUYLEDPTORFFF-CYBMUJFWSA-N	310.325	1.087	50	20	DDGD	
N#CC1=CCN(CC(=O)Nc2ccc3c(c2)OCCCO3)CC1	779587636	QMIYQBOTMWDOLD-UHFFFAOYSA-N	313.357	1.942	50	20	DDGD	
CN(NC(=O)NC[C@@H]1COC2(CCOCC2)O1)c1ccccc1	776946266	PFDIESQQBSEVBQ-CQSZACIVSA-N	321.377	1.259	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)C1CCOCC1)c1ccccc1F	883062408	AXSWGFYEQCXLBL-LLVKDONJSA-N	308.353	1.893	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1cnc2[nH]nnc2c1	775265512	RULQRXUXIMXHIP-UHFFFAOYSA-N	323.238	1.524	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(C)(C)Oc1ccc(C#N)cc1	887145578	JILJSSQCBQNZMZ-UHFFFAOYSA-N	313.357	1.667	50	20	DDGD	
O=S(=O)(CBr)Oc1cccc(-n2ccnc2)c1	782450739	UYNUKESCVIQNEG-UHFFFAOYSA-N	317.164	1.933	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C/C=C\c1cccc(F)c1	884402371	REODNROLMFZQGJ-JIHQAHMNSA-N	319.380	1.909	50	20	DDGD	
Cc1c[nH]cc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)c1=O	781417434	ICJVWHTWOGUXDW-UHFFFAOYSA-N	319.748	1.340	50	20	DDGD	
CN1CCC([C@H]2CCN(S(=O)(=O)CCCCl)C2)CC1	882017327	TXYQAXZUOPVCDQ-ZDUSSCGKSA-N	308.875	1.609	50	20	DDGD	
CCc1ncc(NC(=O)C(=O)NNc2ccc(OC)cc2)cn1	783022364	OLPHLEMFQCCBQO-UHFFFAOYSA-N	315.333	1.129	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCCNC(=O)C1CC1	781082817	CFJKGFPIZBMPAT-SECBINFHSA-N	305.216	1.438	50	20	DDGD	
O=C(NNc1cccnn1)C(=O)Nc1cccc(Cl)c1F	784858699	UJOVDMUUFWACDL-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
Cn1cc(-c2n[nH]cc2C(=O)NNc2nc3ccccc3[nH]2)cn1	781960675	MADUGPFWUQDPBG-UHFFFAOYSA-N	322.332	1.443	50	20	DDGD	
Cc1ccc(CC(=O)NNc2ccccc2S(N)(=O)=O)cc1	788231714	JTTWHNLLBDHVNI-UHFFFAOYSA-N	319.386	1.328	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1CCc2cc(OC)ccc2C1	899939893	YWMOMQXJYMUGLI-ZDUSSCGKSA-N	319.430	1.481	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1ccc(N2CCOC2=O)cc1	785466251	ODWYRRURZVSDAJ-UHFFFAOYSA-N	305.334	1.254	50	20	DDGD	
CC[C@H](C)CC[C@H](O)CC(=O)NNC(=S)NC(C)(C)C	899997287	ODUGPPZIVQLTBK-QWRGUYRKSA-N	303.472	1.858	50	20	DDGD	
Nc1ccc(C(=O)NN=Cc2ccc3c(c2)NC(=O)CO3)cc1	788698238	VVAVAFVEXHEREY-UHFFFAOYSA-N	310.313	1.364	50	20	DDGD	
CN(C[C@H](CBr)C1CC1)CC1(O)CCOCC1	701858072	FTFZREFIYGHFGD-LBPRGKRZSA-N	306.244	1.881	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCN2CC[C@@H](C)C2)c1	897445449	HYIZRBRVOHAHAV-GFCCVEGCSA-N	320.393	1.441	50	20	DDGD	
Cn1cc2c(n1)CCC[C@@H]2C(=O)NNc1cnnc2ccccc12	799100363	PUMSDJAZNWYOOL-NSHDSACASA-N	322.372	1.927	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)Cc2cccnc2)[C@@H](n2cncn2)C1	794508772	RWTBJHOEASBHIQ-DOMZBBRYSA-N	312.377	1.749	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42	798124132	IQXPMRVVYFWBGR-DMCWRTHBSA-N	319.474	1.674	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CC[C@@]1(C)CCC(=O)N1	798313073	QZKMBEHAJJNWQF-MRXNPFEDSA-N	318.377	1.597	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)c1cncn1-c1ccccc1	1319980524	DUXLSLNTEGPNTG-CYBMUJFWSA-N	318.402	1.775	50	20	DDGD	
CO[C@@H]1C[C@@H](NC(=O)NNc2nncc(N)c2Cl)C1(C)C	1319393842	MVQAXPPKWHZPSL-HTQZYQBOSA-N	314.777	1.152	50	20	DDGD	
COc1c(F)ccc(F)c1C(=O)NNC(=S)NC(C)C	1322458278	WSXGDEQGVNIBAS-UHFFFAOYSA-N	303.334	1.491	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cnn(C3CC3)c2)cc1	1329141381	QBOWOPAWKQHMIO-UHFFFAOYSA-N	300.318	1.301	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)N[C@H]1CCC[C@@H](F)C1	1326299353	PCOJYXXFXBNBSJ-MNOVXSKESA-N	319.344	1.569	50	20	DDGD	
COc1cccc(COCC(=O)NNC(=S)NC(C)C)c1	1323151383	LJICECWWMSHEJX-UHFFFAOYSA-N	311.407	1.116	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnn(C2CCCCC2)c1	1329540560	VQISBRUVGXNVGP-BXUZGUMPSA-N	320.393	1.574	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1ccc2[nH]ccc2c1	1322567169	UBPLNPHDTWRPJI-UHFFFAOYSA-N	323.356	1.845	50	20	DDGD	
CCCN(CCC)C(=O)CCC(=O)NNC(=S)NC(C)C	1321666256	WAUOVZDIJCNASW-UHFFFAOYSA-N	316.471	1.319	50	20	DDGD	
COc1c(C(=O)NNC(=O)C(C)C)cnn1-c1ccccc1	1320638216	RVBFNWGXMYDCOZ-UHFFFAOYSA-N	302.334	1.298	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Nc2nc(C)cs2)cc1	1321668799	UNFXMASFOHXEHE-UHFFFAOYSA-N	306.347	1.927	50	20	DDGD	
C=CC[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccncc1	1328133292	BORCRUYJQYXOLU-XBFCOCLRSA-N	318.377	1.454	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H](C)CN(C)C(C)C)cc1	1324256836	FCULEONKIZUPGS-LBPRGKRZSA-N	322.409	1.368	50	20	DDGD	
Cc1oc2ncnc(O)c2c1C(=O)NNc1ncncc1Cl	1325983892	SZYKMVMWKKQJLM-UHFFFAOYSA-N	320.696	1.437	50	20	DDGD	
O=C(Cc1c[nH]c2cnccc12)NNC(=O)OCC(F)(F)F	1331284787	YVOYABJKSJPNNM-UHFFFAOYSA-N	316.239	1.425	50	20	DDGD	
CN(CCCF)C(=O)NNC(=O)c1nc2ccccc2s1	1331993349	DHUZCYMOBOVMIK-UHFFFAOYSA-N	310.354	1.942	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]c1=S)[C@H]1[C@@H]2CCC(=O)[C@@H]12	1336903755	DTYWVHPBZPOBQD-MKCWBWRRSA-N	314.370	1.961	50	20	DDGD	
Cc1nn(CCO)c(C)c1CNC[C@@]1(C)C[C@@H]1Br	1331336325	AXQHRLFXEJDRFV-QWHCGFSZSA-N	316.243	1.755	50	20	DDGD	
CCOc1ccccc1[C@H](CC)NC(=O)NNC(=O)C(=O)OC	1330487931	FVQZEQIGPGKVMZ-NSHDSACASA-N	323.349	1.040	50	20	DDGD	
CC(C)N(C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br)C1CC1	1334705050	WDQOGBXKIAFQIA-GWCFXTLKSA-N	317.227	1.676	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2cncc(Cl)n2)cc1	1338630832	HLMYVVPKSDMLNF-UHFFFAOYSA-N	316.708	1.083	50	20	DDGD	
C[C@@]1(CNC(=O)c2cnc3[nH]ncc3c2)C[C@H]1Br	1347342141	HBDWDCFQSBKIMD-SKDRFNHKSA-N	309.167	1.861	50	20	DDGD	
CC[C@@H](CNC(=O)NNc1cc(F)c(F)cc1F)C(=O)O	1341451592	QIBOVDXUIDWEOQ-LURJTMIESA-N	305.256	1.841	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CC[C@H]1[C@H](C)n2nccc2N[C@@H]1C	1263773659	BDMCPZAAZQACLA-GRYCIOLGSA-N	322.413	1.347	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CO[C@H]2CCOC2)ccc1C	1351218646	XTIJEKNIWQAPEQ-LBPRGKRZSA-N	308.334	1.030	50	20	DDGD	
C=CCN(C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br)C1CC1	1351192951	SZHDVKQYPATRKA-GXFFZTMASA-N	315.211	1.453	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC1CCN(c2ccncc2)CC1	1520975124	OURZRBMUHJJYOE-SEYXRHQNSA-N	300.362	1.611	50	20	DDGD	
CN(C)c1cccnc1C(=O)NNc1ccccc1C(=O)O	1606062343	ZSGJKJXLOCVDHD-UHFFFAOYSA-N	300.318	1.603	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O	1606529066	XQWBYPLWEBFHQI-ZACCUICWSA-N	317.345	1.618	50	20	DDGD	
O=C(O)CNC(=O)NN=C(CC1CCCCC1)c1ncccn1	1602071134	CHGFXUAAODXMIX-UHFFFAOYSA-N	319.365	1.535	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)Cc1ccc(-c2nn[nH]n2)nc1	1604718706	ZDKRLCKMPZCHAH-UHFFFAOYSA-N	315.164	1.066	50	20	DDGD	
Cc1cc(CCC(=O)NNc2ccc(F)c(C(=O)O)c2)no1	1600188722	RSRISCYMQPBFBV-UHFFFAOYSA-N	307.281	1.896	50	20	DDGD	
CCCCOc1ccc(C=NNC(=O)C(=O)O)cc1OCC	1605286909	SFZWHNTUVAHZBC-UHFFFAOYSA-N	308.334	1.799	50	20	DDGD	
Cc1cccc([N+](=O)[O-])c1C(=O)NNc1ccc(C(=O)O)cn1	1607863956	BAVGXJMKWKBZKO-UHFFFAOYSA-N	316.273	1.753	50	20	DDGD	
Cn1nc(NC(=O)NNc2ncccc2Cl)cc1C(=O)O	1601015068	UQTODMNYINYFAZ-UHFFFAOYSA-N	310.701	1.315	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)/C=C/[C@H]1CCCO1	1610287981	SEEHVFPLGLNENO-OKPNEXGHSA-N	306.318	1.572	50	20	DDGD	
COc1ccc(/C=C/C(=O)O)cc1OS(=O)(=O)CCl	1610328388	LMDGTBRGWOZOOK-HWKANZROSA-N	306.723	1.698	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@H]2CCC[C@H](C(=O)O)C2)n1	1610648928	QYAOCSLVBDHQAO-BQBZGAKWSA-N	313.745	1.046	50	20	DDGD	
Cn1c(=NNC(=O)[C@@H]2C[C@@H]3C[C@H](N)[C@@H]3C2)sc2ccccc21	1553398163	RSXOKTYQKWOHHW-KKOKHZNYSA-N	316.430	1.545	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@]34CNC[C@@H]3C4)cc2C1	1576760689	UEKSEIAJDZYYEG-SEFYAATASA-N	319.430	1.243	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCCCCN)c(N)c1Cl	1579663859	MFRJOHFIFWUUII-UHFFFAOYSA-N	312.801	1.511	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2C[C@H]3C[C@H]3N2)c1C	1579768069	NUICJTIPMDZEDN-RTXFEEFZSA-N	304.419	1.371	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCc2cc(C(=O)O)ccc2C1	1589693446	OCYZWPBGGIAEKE-UHFFFAOYSA-N	319.361	1.530	50	20	DDGD	
CC(=O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1841511660	DFURVSSRSPCMGS-SNVBAGLBSA-N	318.776	1.339	50	20	DDGD	
CC(=NNC(=O)Cc1cccnc1)c1ccccc1-c1nn[nH]n1	1588775834	KEVORPRJNGIDHY-UHFFFAOYSA-N	321.344	1.345	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1cc(C#N)cn1C	1599376874	FFSWOWLJJVVVPI-UHFFFAOYSA-N	314.301	1.360	50	20	DDGD	
O=C(O)CCc1cccc(NC(=O)NNC(=O)C2CCC2)c1	1595067063	VWWGKAYMKAETTI-UHFFFAOYSA-N	305.334	1.657	50	20	DDGD	
O=C(C#CC1CC1)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1592767958	TYWYVAOVOWUPRH-UHFFFAOYSA-N	302.725	1.377	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2cc(F)cc(F)c2F)nc1	1595220835	JJOZKQKOFNDSKM-UHFFFAOYSA-N	311.219	1.954	50	20	DDGD	
COc1cc(NC(=O)NNc2cccc(C(=O)O)c2)nn1C	1599440140	MTTGQCQAKXIHSB-UHFFFAOYSA-N	305.294	1.276	50	20	DDGD	
CCO[C@@H](C(=O)NNc1cccc(C(=O)O)c1C)[C@@H]1CCOC1	1596762436	RVAANACNMIMZLH-BXUZGUMPSA-N	322.361	1.578	50	20	DDGD	
CC(=NNC(=O)c1ccnnc1)c1cc(C(=O)O)ccc1O	1776081524	SMVCIOFTFNGYLI-UHFFFAOYSA-N	300.274	1.034	50	20	DDGD	
CCn1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)O)cc2)nn1	1776129972	BWQWJHNVWNASAP-XFFZJAGNSA-N	311.301	1.542	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1ccc(/C=C/C(=O)O)o1	1776903984	YTLBGYBCYWBNCE-PBDTWZTKSA-N	318.329	1.827	50	20	DDGD	
CCOc1cccc(C=NNC(=O)c2ccc(C(=O)O)cc2)n1	1776100020	MMZTUIMKOMPLQD-UHFFFAOYSA-N	313.313	1.942	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=Cc1c(C)ccc(OC)c1C(=O)O	1776102077	GMMNYAZXXMJANE-GXFFZTMASA-N	320.345	1.577	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(Br)c[nH]1	161251926	MPGRWWUMKXBCDP-SECBINFHSA-N	316.155	1.107	50	20	DDGD	
COC(=O)NNC(=O)c1nn(-c2ccccc2F)c2c1CCC2	158887128	LHRGJUFVKCPBMZ-UHFFFAOYSA-N	318.308	1.501	50	20	DDGD	
N#Cc1cccc(NNC(=O)CCOc2ccc(C(N)=O)cc2)c1	152685561	UQBYUQKABBDNPU-UHFFFAOYSA-N	324.340	1.569	50	20	DDGD	
Cc1ccc(C(F)(F)F)cc1NC(=O)NNC(=O)CN(C)C	156149416	OUZWRFRMJAZTMP-UHFFFAOYSA-N	318.299	1.728	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1ccc(F)cc1Cl	156226695	USNZWGAOCVNVOX-UHFFFAOYSA-N	306.688	1.902	50	20	DDGD	
CC(C)N1CCN(C[C@@H](CBr)C2CC2)CC1=O	859242604	JAVBQBWHUUVCGJ-GFCCVEGCSA-N	303.244	1.960	50	20	DDGD	
C[C@H](CBr)CN(C)[C@@H](C)[C@H](C)S(C)(=O)=O	248741715	ROENRFNBVCJRDM-UTLUCORTSA-N	300.262	1.771	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)Cn1ccc(C(F)(F)F)n1	8302257	JEUJYDZWMFIFNU-UHFFFAOYSA-N	323.344	1.196	50	20	DDGD	
CC(C)NC(=O)CCCC(=O)NNC(=O)CCc1ccccc1	104878271	ZREXTMSQELXZIL-UHFFFAOYSA-N	319.405	1.462	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)Cc1nc2ccccc2s1	109826865	WVUWEIZJDUYYGX-SNVBAGLBSA-N	320.418	1.674	50	20	DDGD	
COCC[C@@H](C)NC(=O)NNC(=O)Cc1c[nH]c2ccccc12	102024772	INUBEUJQIFPEDE-LLVKDONJSA-N	318.377	1.466	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)Nc2ccc(F)cc2F)cc1	119722552	IIVLOUWGYYPBKP-UHFFFAOYSA-N	316.267	1.918	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCN2CCC[C@@H](C)C2)n1	175278485	GMFDBDXHGIWKDB-LLVKDONJSA-N	322.413	1.152	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC2C[C@@H](C)C[C@H](C)C2)n1	172512252	ZLQBXDHJIAORFN-QWRGUYRKSA-N	321.425	1.655	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1ccccc1OCCOC	60436625	FWUGLEXTQRDFQA-WYMLVPIESA-N	304.346	1.772	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC1CCN(C)CC1)c1ccccc1	111797601	BIQCHTZWVXKNBJ-OAHLLOKOSA-N	318.421	1.605	50	20	DDGD	
O=C(NNc1ccccc1Br)[C@H]1COCCO1	178907667	STEWUFUGSLFXQH-SNVBAGLBSA-N	301.140	1.308	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CC2(O)CCCCC2)cc1	173626476	PAVZOTBWPJNUED-UHFFFAOYSA-N	320.389	1.607	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2c[nH]nc2-c2ccccc2)n1	174488504	NYCCPBJPWSCZSI-UHFFFAOYSA-N	324.344	1.941	50	20	DDGD	
Cc1cncc(C(=O)NNC(=O)COc2ccc(C#N)cc2)c1	173059937	KQRMZGRTVJHQLL-UHFFFAOYSA-N	310.313	1.102	50	20	DDGD	
O=C(NNc1cnccn1)c1cn(-c2ccccc2Cl)nn1	114881675	YFIMFJNCHKZRLK-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
Cc1ccc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c(C)c1	68742254	BLONQKFBLWCLSO-CYBMUJFWSA-N	310.419	1.409	50	20	DDGD	
C[C@H](Oc1cccnc1)C(=O)NNC(=O)c1cccc(Cl)c1	172031227	WOQNGEGMTDRVCD-JTQLQIEISA-N	319.748	1.964	50	20	DDGD	
C[C@@H](CCc1ccccc1)NC(=O)NNC(=O)c1cnn(C)c1	117955229	USUNOYVHVZXONP-LBPRGKRZSA-N	315.377	1.385	50	20	DDGD	
CC[C@H]1CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1	125712873	REPIHJGRMSWEFP-NSHDSACASA-N	320.349	1.088	50	20	DDGD	
Cc1ccsc1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	68742315	KKBATLMMVXXGAX-SNVBAGLBSA-N	302.421	1.162	50	20	DDGD	
CCOCCC1(C(=O)NNC(=O)c2ccc(C#N)cc2)CCC1	124539281	CXOZNKDPRIEXCI-UHFFFAOYSA-N	315.373	1.916	50	20	DDGD	
COc1cc(C)ccc1NC(=O)C(=O)NNc1ccccn1	181413252	GZOCXMCVUDYBKV-UHFFFAOYSA-N	300.318	1.480	50	20	DDGD	
CSCC[C@@H](C)NC(=O)NNc1ccc(-n2cccn2)nn1	77643904	DOXRLDOOSNHFEE-SNVBAGLBSA-N	321.410	1.430	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Nc2nc3ccccn3n2)cc1	184395692	JNNYNTGJEUSDGA-UHFFFAOYSA-N	321.300	1.067	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)NCc2ccccc2)c1	183088764	NFMKJIQJMZBHTG-UHFFFAOYSA-N	319.386	1.916	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)Nc1cccnc1	73117604	RJAWYWBCSFNZTE-SNVBAGLBSA-N	318.308	1.841	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)COc2ccc3ccccc3c2)cn1	73070807	OSYNKIXGJWIJIV-UHFFFAOYSA-N	324.340	1.413	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)Nc2ccc3c(c2)CCO3)cc1	186290100	SRNZBVGQXKBCPD-UHFFFAOYSA-N	322.324	1.575	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)nc(C)n1	129000657	KDRDKNDJGWGVLG-ZDUSSCGKSA-N	317.393	1.185	50	20	DDGD	
Cc1cc(F)cc(C(=O)NNC(=O)Cn2nc(C)cc2C)c1	79282338	OGDJSKZTAZKMMV-UHFFFAOYSA-N	304.325	1.409	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNc1nnc(-c2ccccn2)s1	188219428	BKXNBWHRUNBAAD-CYBMUJFWSA-N	307.379	1.594	50	20	DDGD	
CCCCCS(=O)(=O)CC(=O)NNc1ccnc(F)c1	182484598	IDRAUGXLGWVBDW-UHFFFAOYSA-N	303.359	1.269	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(Br)c1)n1cncn1	192948008	ZUPNASRVNCQVTO-MRVPVSSYSA-N	310.155	1.745	50	20	DDGD	
CC(=O)N1CCC[C@H]1C(=O)NNc1ncc(Cl)cc1Cl	133007967	ORJKBWDFZUTCFZ-JTQLQIEISA-N	317.176	1.842	50	20	DDGD	
CCOC(=O)NNC(=O)Cc1cc(F)ccc1Br	136357794	KNZNTCBEDNEETQ-UHFFFAOYSA-N	319.130	1.908	50	20	DDGD	
C=C[C@](C)(CC)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	134886917	FCAXALQFMUZCFB-MRXNPFEDSA-N	304.346	1.821	50	20	DDGD	
COCCCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	48324038	JTEAKXFJVSXTRM-UHFFFAOYSA-N	302.334	1.264	50	20	DDGD	
O=C(NCc1cccnc1)NNC(=O)c1cccc(Cl)c1	193822908	YJUBXABLFNMETF-UHFFFAOYSA-N	304.737	1.879	50	20	DDGD	
CC(=O)CC(C)(C)CC(=O)NNC(=O)Cc1ccccc1F	191839540	FEIYYQSYUUJGPV-UHFFFAOYSA-N	308.353	1.911	50	20	DDGD	
CCCn1cc(NC(=O)C(=O)NNc2cc(C)ccc2F)cn1	190474020	SQJIGSLUORYDDR-UHFFFAOYSA-N	319.340	1.822	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CCC(=O)NNc1ccc(F)cc1	195338890	SVEAGSBIXZXWSM-UHFFFAOYSA-N	307.285	1.772	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNc2cc(C#N)cc(Cl)n2)C1	93546979	VQVVBHFFMBULBH-SNVBAGLBSA-N	321.768	1.308	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H](N2CCCCC2)C1)c1ccccc1	264594520	MGUVLXNTYOSZMS-HNNXBMFYSA-N	316.405	1.601	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(OC2CCOCC2)cc1	266160931	SYFTWDRDUXNCBU-UHFFFAOYSA-N	307.350	1.160	50	20	DDGD	
CCOC(=O)C1CCC(NC(=O)NNc2cccnn2)CC1	265581944	RBZUKSLGSCRJBR-UHFFFAOYSA-N	307.354	1.225	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)n1	268563402	SUYYMIRMDKQDEC-AXFHLTTASA-N	307.354	1.069	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CSCCS2)c(O)c1	267513096	MKACUNWJGQCURI-NSHDSACASA-N	312.416	1.310	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NC1CCOCC1)c1ccccc1	264667849	PKUFHLXTZQOIIG-UHFFFAOYSA-N	305.378	1.474	50	20	DDGD	
CSSCCNC(=O)N1CCC[C@H]1CN1CCOCC1	367920741	KRRXWXSMOZSGHU-LBPRGKRZSA-N	319.496	1.504	50	20	DDGD	
CCCOc1ccc(Cl)cc1NC(=O)C(=O)NNC(C)=O	274024262	FRRZZIQZMYBEKJ-UHFFFAOYSA-N	313.741	1.235	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(F)cc1)n1nnnc1C(C)(C)C	272061868	ARRWJGNYAWDWQO-VIFPVBQESA-N	306.345	1.814	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@H](CO)Cc1ccc(F)cc1	275681554	CDSJHLDSIZHVQJ-ZDUSSCGKSA-N	323.817	1.668	50	20	DDGD	
CCC(=O)Nc1ccc(S(=O)(=O)N2CC=C(C#N)CC2)cc1	272890146	ZGEXRJOQYWCYNI-UHFFFAOYSA-N	319.386	1.879	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@@H](O)CCc1ccccc1	273595841	QXUDDSVIOZFZJX-ZDUSSCGKSA-N	307.394	1.357	50	20	DDGD	
C[C@@H]1CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)CC[S@@]1=O	279314175	NVBHLZFTZZBEQN-WAHIJAOHSA-N	318.398	1.669	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@H](NC(=O)NNC(=O)c2ccccc2)C1(C)C	271886482	WELBONDIEIWKOM-KGYLQXTDSA-N	305.378	1.690	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)Nc1cc(F)cc(F)c1	374809905	JGROGKWXPUREQV-UTUOFQBUSA-N	311.288	1.685	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NC2CC2)c(-c2cccs2)n1	271172473	TXNCCMLYBXBFAE-UHFFFAOYSA-N	305.363	1.255	50	20	DDGD	
CSSCCNS(=O)(=O)c1cnn([C@@H]2CCOC2)c1	284713044	QTRQMYGTUQJTNE-SECBINFHSA-N	323.465	1.134	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCC12CCC(CC1)C2	378276514	ZMZHLIQXQMTPQW-UHFFFAOYSA-N	302.378	1.535	50	20	DDGD	
CC1(C)C(C(=O)NNc2ccc(-n3ccnc3)nn2)C1(C)C	286523799	FYDWYFCFOFNBLP-UHFFFAOYSA-N	300.366	1.788	50	20	DDGD	
CC1=C(C(=O)NNc2ncccc2F)[C@H](C)n2ncnc2N1C	285864771	FGTJQFNIEZVCGZ-VIFPVBQESA-N	317.328	1.240	50	20	DDGD	
CC1(CCNC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1	280201481	FASJJMGZIZNUMY-ZDUSSCGKSA-N	319.361	1.347	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802095048	NWVIZLSWAXRLRF-UHFFFAOYSA-N	303.318	1.618	50	20	DDGD	
Cc1cnc(COC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)nc1	808499778	MQBBURBGCPGULS-LNKIKWGQSA-N	321.340	1.954	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1nc(Cl)ccc1Cl	295582915	OMKLEOKYHKUUPC-MRVPVSSYSA-N	318.160	1.719	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CC2CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-]	294330209	YUYFCZPDEKMXFE-UHFFFAOYSA-N	322.277	1.373	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2ccc(C#N)cc2)SCCO1	806687385	NYSGIYFTJAKXEC-UHFFFAOYSA-N	303.343	1.314	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)c1cccc(Cl)c1)C1CC1	296873223	LGKQILDGSQVURE-GFCCVEGCSA-N	311.769	1.709	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@@H]1CC(=O)N(c2ccccc2)C1	804772375	DZCSYFYMFQCROV-LLVKDONJSA-N	314.320	1.717	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)c2ncoc2C)cc1OC	299190892	NXCGEPJNMOGTLR-UHFFFAOYSA-N	319.317	1.465	50	20	DDGD	
CCn1cc(CC(=O)NNc2ccc3c(=O)[nH]ccc3c2)cn1	803431929	BPDZOZAMBXLLDU-UHFFFAOYSA-N	311.345	1.430	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C[C@H]2OC(=O)c3ccccc32)n1	298157332	ROEZEYUVOMWOEJ-CYBMUJFWSA-N	312.329	1.838	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)NC[C@H](C)c2ccc(F)cc2)O1	297430699	ZPFGMTOWFNDPTG-MJVIPROJSA-N	323.368	1.827	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNC(=O)c2cccn2C)cc1	809971545	GXIFDFSOOKWTSI-UHFFFAOYSA-N	315.329	1.277	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1cncs1	807251232	RZYYDJQGZMYJLV-UHFFFAOYSA-N	305.359	1.546	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)Nc2ccccc2)C1	801989556	CTPANZRBQSYVAB-MNOVXSKESA-N	304.350	1.131	50	20	DDGD	
O=C(NCCCOC[C@H]1CCOC1)NNc1cccc(F)n1	805145370	QYHHKEOUUXDZPQ-LLVKDONJSA-N	312.345	1.290	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cnc(C(C)(C)C)nc2)n[nH]1	814788022	YJWGVDMRUKEDTF-UHFFFAOYSA-N	300.366	1.498	50	20	DDGD	
COC(=O)c1c(F)ccc(NC(=O)NNC(=O)C(C)C)c1F	810339760	YYIXRNYMIRQPIQ-UHFFFAOYSA-N	315.276	1.560	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccc(Oc2cccnc2)cc1	816769682	REWVDRAFNUMPCQ-UHFFFAOYSA-N	310.317	1.759	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)CCCC2CC2)C[C@H](C)O1	812451557	IGPMTPNSYCZYDH-STQMWFEESA-N	311.426	1.213	50	20	DDGD	
Cc1csc2ncc(C(=O)N(C)CC(Cl)Cl)c(=O)n12	816629185	AOQUPLOIDGBOAN-UHFFFAOYSA-N	320.201	1.940	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=C1CCC(C(=O)O)CC1	814764279	UZQCSJNPLHIHIY-UEWDXFNNSA-N	309.410	1.855	50	20	DDGD	
COCCc1ccc(OCCCC(=O)NNC(=O)C2CC2)cc1	729965890	HEJTVMHMXJBMIK-UHFFFAOYSA-N	320.389	1.592	50	20	DDGD	
CN(C)c1ccnc(C(=O)NNC(=O)c2cccc(C#N)c2)c1	728977537	SYPFLHQZXOFQBQ-UHFFFAOYSA-N	309.329	1.094	50	20	DDGD	
C[C@H]1[C@@H](C(=O)NNc2ccncn2)CCN1C(=O)OC(C)(C)C	495869414	OLQBJUGKDYSWFH-QWRGUYRKSA-N	321.381	1.565	50	20	DDGD	
O=C(CC[C@H]1CC1(Cl)Cl)NNC(=O)Cc1ccncc1	829565364	LFASFAOGLBDEJK-JTQLQIEISA-N	316.188	1.746	50	20	DDGD	
CCCNC(=O)NNC(=O)CSCC(=O)c1ccccc1	726941695	WOHKIQHGVZDWTL-UHFFFAOYSA-N	309.391	1.343	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CC[C@@H](CCCO)C1	491177399	WJPMMYGEATUYMB-MKRLJBPISA-N	300.358	1.920	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=CCCNC(=O)OC(C)(C)C)n1	493934473	JIRFKPPGOXJXMI-UHFFFAOYSA-N	323.397	1.517	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)CC1CC(F)(F)C1	825756376	QJBNUWQSDGFXRQ-UHFFFAOYSA-N	312.316	1.908	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC(OC[C@@H]2CCCO2)CC1	827035543	NLIFPMHOWNJIGC-FQNOHDAGSA-N	308.378	1.617	50	20	DDGD	
COc1cccc([C@H]2C[C@H](NCc3ccc(B(O)O)cc3)C2)c1	585044252	CNXYYENWAOJWLG-JCNLHEQBSA-N	311.190	1.411	50	20	DDGD	
CCCNC(=O)NNC(=O)c1nc2ccccc2nc1C1CC1	822799333	ATCHBBHIKDOENM-UHFFFAOYSA-N	313.361	1.861	50	20	DDGD	
C[C@]1(C(=O)NCCCO[C@@H]2CCOC2)C[C@@H]1Br	906960326	MADAOGPHJYDATD-SCVCMEIPSA-N	306.200	1.472	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)no1	733911749	PORRNAUCYFOMQL-UHFFFAOYSA-N	317.389	1.889	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNc1nc(-c2cccnc2)no1	732285022	NTCRBJXRABNHRL-NSHDSACASA-N	302.338	1.059	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2CCCC(=O)N2C)ccc1F	909278123	SNIAQXHZPWQKGL-LBPRGKRZSA-N	323.324	1.066	50	20	DDGD	
CSc1ccc(CCCC(=O)NNC(=O)c2ncon2)cc1	832830174	KLKAGOGBPXBUQX-UHFFFAOYSA-N	320.374	1.575	50	20	DDGD	
Cc1oc(-c2cccs2)nc1C=NNC(=O)C(=O)NC1CC1	905432308	DZJBABWDZYWYQR-UHFFFAOYSA-N	318.358	1.440	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1C[C@H](c2cnn(C)c2)C(C)(C)C1	491085983	SPTJYDAIBINSDF-IEZBTEQYSA-N	302.378	1.816	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@]1(C)CCCCO1	837310879	SAFVEQJHNUDABY-MEDUHNTESA-N	324.352	1.700	50	20	DDGD	
Cc1ccc(OCCCC(=O)N2CC[C@H](B(O)O)C2)cc1C	585068071	YIBUUSKRNYJUAZ-AWEZNQCLSA-N	305.183	1.538	50	20	DDGD	
CC(C)CCCCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	837659564	YNQWRHBISFDUHY-ZDUSSCGKSA-N	304.456	1.695	50	20	DDGD	
O=C(NN[C@H](C(=O)O)c1cccnc1)c1ccc([N+](=O)[O-])cc1	833149267	KZIUZQWKCPMVFI-LBPRGKRZSA-N	316.273	1.050	50	20	DDGD	
CC(C)(C)[C@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1	584983965	PZGLGBARBHQBMR-LBPRGKRZSA-N	307.174	1.404	50	20	DDGD	
N#CC1(CNC(=O)NNc2cccc(Br)n2)CC1	838575762	CXBZDECVOOKUTK-UHFFFAOYSA-N	310.155	1.774	50	20	DDGD	
COc1cc(CN2CC[C@H](B(O)O)C2)ccc1OC(F)F	585076803	OOVBIPGAEGGCML-JTQLQIEISA-N	301.098	1.345	50	20	DDGD	
CO[C@H]1COCC[C@@H]1CNC(=O)NNc1c(F)cccc1F	838659952	RISLJBLLZYFQGM-SKDRFNHKSA-N	315.320	1.642	50	20	DDGD	
C[C@@H]1CCC[C@@]1(C)C(=O)OCC(=O)NNC(=O)c1ccccc1	837939029	DHXALCPQTHBIPI-SJKOYZFVSA-N	318.373	1.817	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1ccncc1)C(=O)c1ccccc1	732749349	QMCLMOFUSPIKEC-GFCCVEGCSA-N	311.341	1.752	50	20	DDGD	
CC(C)(O)[C@H](Oc1ccccc1)C(=O)NNc1cccnn1	832038940	BRCAKOQYHDTAFM-CYBMUJFWSA-N	302.334	1.138	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CC2CCN(C)CC2)ccc1F	837035645	DWCDVIMASBLLRQ-UHFFFAOYSA-N	323.368	1.787	50	20	DDGD	
C=C(C)CN1CCC(NC(=O)NNC(=O)C2CCCC2)CC1	730066092	DKSQCYKUOZNSDI-UHFFFAOYSA-N	308.426	1.548	50	20	DDGD	
CO[C@H]1CCN(C(=O)NNC(=O)c2ccc(C#N)cc2)C[C@@H]1C	836266627	ZTUWLHGERGTJKQ-FZMZJTMJSA-N	316.361	1.269	50	20	DDGD	
COC(=O)[C@@H](NS(=O)(=O)CCl)c1cc(C)cc(C)c1	831126279	XRHYEJLBVJGNGR-NSHDSACASA-N	305.783	1.633	50	20	DDGD	
COc1ccnc(NNC(=O)C[C@H]2OC(=O)c3ccccc32)n1	914762995	JJOPQDMKLVIHQY-LLVKDONJSA-N	314.301	1.230	50	20	DDGD	
CN(C)c1cc(C(=O)NN=CCCc2cnn(C)c2)ccn1	834956201	LJHSFFPCAHMZPZ-UHFFFAOYSA-N	300.366	1.230	50	20	DDGD	
N#CCc1cccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)c1	836763611	STUDRONFTVWHQV-ZDUSSCGKSA-N	302.334	1.474	50	20	DDGD	
O=C(O)Nc1ccc(C(=O)NNC(=O)Cc2ccncc2)cc1	832838047	CYHWCKUEUWHOHJ-UHFFFAOYSA-N	314.301	1.175	50	20	DDGD	
C[C@H](CN(CCCI)C1CC1)C(=O)O	833516822	YEUAAVFJQKNTPT-MRVPVSSYSA-N	311.163	1.997	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1cccc(Br)n1)N(C)C	837210624	URZNNSJPGRSHEF-NSHDSACASA-N	315.215	1.873	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCCCC1(F)F	837825616	SFAKTRPHNPSPAT-DTWKUNHWSA-N	306.309	1.301	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cnn(-c2ccc(Cl)cc2)c1	910169785	FHOUGVQTDASFED-JTQLQIEISA-N	308.769	1.483	50	20	DDGD	
O=C(CNc1ccccc1Cl)NNC(=O)c1ccncc1	745835578	PRDWVQNRIUHTGJ-UHFFFAOYSA-N	304.737	1.608	50	20	DDGD	
COc1ccc(C2(C(=O)NNC(=O)N(C)C)CCOCC2)cc1	746013076	SSFHIIBUPBOHDC-UHFFFAOYSA-N	321.377	1.046	50	20	DDGD	
CCOc1ccccc1C(=O)NNc1ccnc(N(C)C)n1	740104162	DJOUEOXREZSLNQ-UHFFFAOYSA-N	301.350	1.698	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc(O)c(Cl)c1	740762747	GCDFYKZAWVJQLO-UHFFFAOYSA-N	311.769	1.801	50	20	DDGD	
CC(C)C[C@@H]1C[C@H]1NC(=O)NNc1ccc(-n2ccnc2)nn1	841589920	LOWYXJITMOATRS-VXGBXAGGSA-N	315.381	1.723	50	20	DDGD	
O=C(NCCOc1ccccc1F)NNC(=O)c1ccccc1	913632419	IYVSYFYHVNCUQW-UHFFFAOYSA-N	317.320	1.849	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)[C@@H]1CCO[C@@H]1C)CCO2	842559423	UJCBFPGMGOWTAD-ZYHUDNBSSA-N	304.346	1.723	50	20	DDGD	
Cc1nnc(NNC(=O)Cc2ccccc2OC(C)C)nc1O	748835274	RPZNZJDRQOTMEB-UHFFFAOYSA-N	317.349	1.359	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC2(CC1)CC2(F)F	844409330	ZIBZITSVKAYULQ-UHFFFAOYSA-N	303.353	1.301	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC[C@H]2CCCNC2)cc1F	841923450	HBZIXDLZXYGAEE-JTQLQIEISA-N	324.356	1.238	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1c(-n2cccc2)sc2c1CCC2	910156281	SCYZLYNBEQRKDL-LLVKDONJSA-N	319.430	1.985	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC1(Cl)Cl)c1cccc(Cl)n1	912506577	GQVSNLCUPKGVLD-YFKPBYRVSA-N	308.552	1.690	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@H]1CCN(Cc2ccccc2)C1	847620145	HMPKDJKUPCIEJB-ZDUSSCGKSA-N	315.352	1.581	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCC1(C)CCNCC1	841969094	HZFINJSRMHXPKO-UHFFFAOYSA-N	304.394	1.329	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@H]1CCCN2CCCC[C@H]12	847441721	BXFOJJPGZFKNKA-WDEREUQCSA-N	324.816	1.773	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)[C@H]1CCCN1c1ncccn1	748262225	SUCUWRXQTAUHCK-CYBMUJFWSA-N	319.315	1.867	50	20	DDGD	
C=CCn1c(C)nnc1SCC(=O)NNC(=O)C(C)(C)C	742449266	CXKUTBNIPXBTED-UHFFFAOYSA-N	311.411	1.058	50	20	DDGD	
CCOc1ncccc1C(=O)NNC(=O)c1ccc(C)cc1O	918340842	FXKCZWCXSZZZDJ-UHFFFAOYSA-N	315.329	1.569	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)CCn1ccnc1	840548791	MGRBPQUZNYQHDQ-UHFFFAOYSA-N	308.773	1.983	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNC(=O)COc1ccc(C)c(C)c1	841375801	LVNSEMZTAGKEHA-OAHLLOKOSA-N	322.405	1.891	50	20	DDGD	
COc1cccc(NCC(=O)NNc2nc(C)cc(C)n2)c1	846667900	PAWDGXKYZSELSC-UHFFFAOYSA-N	301.350	1.657	50	20	DDGD	
O=C(NC[C@H]1CCCN1)NNC(=O)Nc1ccc(Cl)cc1	841937915	YCRWGJUWWFHLEK-LLVKDONJSA-N	311.773	1.428	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1ccc(CN)cc1F	846199437	AZYSQYWXWUDDKJ-UHFFFAOYSA-N	310.373	1.551	50	20	DDGD	
CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NN)c1	916665377	PZOYGCIZZFKCPP-UHFFFAOYSA-N	305.359	1.115	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(-c2ccc(Cl)cc2)on1	910174980	JANHMGZHAIJUEQ-SECBINFHSA-N	309.753	1.952	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(N2C[C@H](C)O[C@H](C)C2)cc1	910184555	SZNHCGUUEJZZFU-MELADBBJSA-N	321.421	1.258	50	20	DDGD	
C[C@H](Oc1ccccn1)C(=O)NNC(=O)c1cccc(Cl)c1	914685498	JVIOIUJINFVGMC-JTQLQIEISA-N	319.748	1.964	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNc1cc(C(F)(F)F)ccn1	846229062	GMDPLTSGWXTADW-UHFFFAOYSA-N	318.299	1.706	50	20	DDGD	
Cc1cccc(C2(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)CC2)c1	843643838	APKLYPDSZZNDBV-JSGCOSHPSA-N	302.374	1.599	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)NC2CC2)c(Br)s1	847390155	CGJGZZVNUGDDST-UHFFFAOYSA-N	319.184	1.320	50	20	DDGD	
CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NN(C)C[C@@H](C)O	910172985	IIGFIJXBSBCNOT-VXGBXAGGSA-N	317.430	1.270	50	20	DDGD	
O=C(NNC(=O)c1cccc2c1OCO2)c1ccccc1O	917363629	VOSXYTAVUBDIGB-UHFFFAOYSA-N	300.270	1.196	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H](C)n1cnc2ccccc21	843648155	VXIZQYBOEHXQIS-GRYCIOLGSA-N	316.361	1.170	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc2ccncc2s1	843662115	RIAFBNARHQBGSD-WCBMZHEXSA-N	305.359	1.482	50	20	DDGD	
C[C@H]1CN(C(=O)/C(C#N)=C\c2cnn(C)c2)CC2(CCCC2)O1	844109442	GPXRWXXHWOOFHE-XKBFBRDOSA-N	314.389	1.887	50	20	DDGD	
CC[C@H]1CO[C@H](CC)CN1[C@H](C)C(=O)NNC(=O)CC(C)C	844384412	ATIUCAUPZSYFAQ-HZSPNIEDSA-N	313.442	1.458	50	20	DDGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2cnn(C)n2)cc1	840734901	KKUUEQCSQJIVAW-LFTLCWSBSA-N	311.345	1.608	50	20	DDGD	
COc1cc(C(C)=NNC(=O)C(C)C)ccc1S(C)(=O)=O	747045450	BBNLRSYPVYLCLP-UHFFFAOYSA-N	312.391	1.595	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C[C@H](c1ccccc1)N(C)C	843971162	OXEDVXRCDGPUCJ-NWANDNLSSA-N	319.405	1.252	50	20	DDGD	
CC(=O)Nc1ccc(O)c(C(C)=NNC(=O)NCC2CC2)c1	920828815	TWBZIMWVYPGNEN-UHFFFAOYSA-N	304.350	1.784	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H]1CCSc2ccccc21	742053509	MXMXVACVODCXDE-GFCCVEGCSA-N	323.418	1.633	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)[C@H]1CC12CCCC2	842263095	ZRCRJOKKIHPAJF-SNVBAGLBSA-N	309.391	1.357	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=Cc1cc(C)n(C)n1	841607096	QFKUVOVEESISAO-UHFFFAOYSA-N	316.361	1.656	50	20	DDGD	
O=C(NC[C@@H]1C[C@H]1C1CCCCC1)NNC(=O)c1ncccn1	841587123	GHYPVPKXOAHAOD-STQMWFEESA-N	317.393	1.637	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@H](C)CC2)c1	744397873	VQOBXRLOPQHXLJ-ZDUSSCGKSA-N	303.406	1.878	50	20	DDGD	
C/C=C/C(=O)NNc1ccccc1S(=O)(=O)NC(C)(C)C	748601934	JFNFFAJYTKOTIW-VMPITWQZSA-N	311.407	1.783	50	20	DDGD	
NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	847601312	OUQNNUJSUOKEHJ-YUMQZZPRSA-N	312.713	1.203	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(F)c(F)c1F	843651753	FLAYXCKICGOOLD-BQBZGAKWSA-N	302.252	1.290	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2cc(F)ccc2F)[C@@H]1OC	922068470	JLVWCGXLLORWOA-UPJWGTAASA-N	315.320	1.783	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@@H](OC)c1cnn(C)c1	846641701	MCJAQPWACOUQQI-ZDUSSCGKSA-N	308.313	1.399	50	20	DDGD	
C#C[C@@](C)(CC)NCC(=O)NNC(=O)c1cc(C)c(CC)s1	852101634	RSKCVAOABASGAQ-INIZCTEOSA-N	321.446	1.771	50	20	DDGD	
CCC(Cc1ccccc1)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	920384871	RACHMOOZOSDUIV-CQSZACIVSA-N	323.418	1.481	50	20	DDGD	
C[C@@]1(CNC(=O)c2cnn3cccnc23)C[C@H]1Br	857400150	BBNRHPRVHBXMOT-SKDRFNHKSA-N	309.167	1.633	50	20	DDGD	
CCNC(=O)CCC(=O)NNC(=S)Nc1cccc(C)c1C	854184777	IEQIQEKSHJXCHU-UHFFFAOYSA-N	322.434	1.537	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NNc1ccc(F)c(F)c1	921725569	ALNIUKDBUPAZRF-BXKDBHETSA-N	312.320	1.506	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccccc1OC(C)C	755866526	JXNBHNNQHZCMSS-UHFFFAOYSA-N	317.349	1.972	50	20	DDGD	
C[C@H]1CC/C(=C\C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)C1	855831777	GWDONJYEZYSCNT-OWRWYXLESA-N	323.437	1.823	50	20	DDGD	
O=C(Cc1ccc2c(c1)COC2)NNC(=O)NCc1ccco1	755161629	IHYADYDARCYMOA-UHFFFAOYSA-N	315.329	1.383	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)Cc2ccc(F)cc2)[C@H]1C	858150924	NNTXZWBSOXMYPF-ZVXAKGHKSA-N	308.353	1.575	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21	857089829	DZQXYVWPQFZZED-MGPQQGTHSA-N	321.421	1.409	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cn(C(C)(C)C)nc1C	752083043	KOWXTHFYAHRLBX-UHFFFAOYSA-N	304.354	1.053	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C1C[C@H](C)N(C2CC2)C1	753955114	KSJMKEKPVQQKLR-LBPRGKRZSA-N	316.405	1.836	50	20	DDGD	
C[C@H](CN1CCCC1=O)NC(=O)NNc1ccc(Cl)cn1	852126144	VQAKWTPJXWAUQE-SECBINFHSA-N	311.773	1.372	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1coc(-c2ccccc2)n1	755761296	KDYCOFRGRHATRM-LBPRGKRZSA-N	317.345	1.843	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]32)cc1	857115108	ANCHTRYCFAGZMU-ZNMIVQPWSA-N	317.389	1.833	50	20	DDGD	
CC(C)Oc1cncc(S(=O)(=O)N2CC=C(C#N)CC2)c1	859099497	PRRFTGUDZJVJLN-UHFFFAOYSA-N	307.375	1.713	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ncn(Cc2ccccc2)n1	756238059	PENFRYWJQLZIEW-UHFFFAOYSA-N	316.365	1.525	50	20	DDGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	857686847	FTYOWIQJBBYVCW-KYVBTAMFSA-N	319.243	1.827	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C[C@H]1CCc2ccccc21	755772986	AHIPXGJEDZUVAX-CQSZACIVSA-N	322.368	1.643	50	20	DDGD	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NN(C)C(=S)NC	854924024	CCESPAORHFLMBR-TUAOUCFPSA-N	301.456	1.828	50	20	DDGD	
C[C@@H](C(=O)OCC(=O)NNC(=O)c1cccs1)C1CCCC1	750471796	KNYFUWUBEYDVMT-SNVBAGLBSA-N	324.402	1.879	50	20	DDGD	
CSc1ccc(CCC(=O)NNC(=O)c2c[nH]nc2C)cc1	932225676	HTBQLFCVELPSDU-UHFFFAOYSA-N	318.402	1.834	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@H]2C=NNC(=O)[C@H]2CCCO2)cn1	853349463	YYORSGSMWLSMOC-IACUBPJLSA-N	306.366	1.262	50	20	DDGD	
CC(=O)N1CCC(=NNC(=O)Cc2cc[nH]n2)c2ccccc21	857210183	MEULLRCGIDPCQS-UHFFFAOYSA-N	311.345	1.229	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NCC1=CCCC1	851916507	XOMZRPGYGOOHFG-UHFFFAOYSA-N	313.361	1.697	50	20	DDGD	
C#CCNC(=S)NNC(=O)[C@H](C)Oc1cccc(C)c1C	758177937	ZQYUSINUMPKXOU-LBPRGKRZSA-N	305.403	1.199	50	20	DDGD	
C[C@H](C=NNC(=O)[C@@H](C)NS(C)(=O)=O)CC1CCCCC1	758107706	MDVNXDAVUHXJSS-NWDGAFQWSA-N	317.455	1.633	50	20	DDGD	
Cc1cc(CNC(=O)NC[C@@]2(C)C[C@H]2Br)no1	856825766	BZTJWKOAFGGYLR-MWLCHTKSSA-N	302.172	1.956	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)Nc1ccnn1CC1CC1	856857515	DPYRTTAZXIPDMZ-UHFFFAOYSA-N	307.745	1.885	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CCO[C@@H]3CCC[C@@H]32)cc(C#N)n1C	862858611	SFXASLSGQMLCLS-HXQHXECISA-N	324.384	1.892	50	20	DDGD	
Cc1cc(C)c(C)c(OCCC(=O)NNC(=O)c2cn[nH]c2)c1	862471902	QEJNLBNHRWOJNZ-UHFFFAOYSA-N	316.361	1.565	50	20	DDGD	
COc1ccccc1CC(=O)NN=CC1(OC)CCOCC1	761801354	WLARRZKHYYGVTH-UHFFFAOYSA-N	306.362	1.535	50	20	DDGD	
Cc1cc(=NNC(=O)C[C@@H](C)NC(=O)C2CCCC2)cc[nH]1	862511234	IBHVWANQGCKNFE-GFCCVEGCSA-N	304.394	1.340	50	20	DDGD	
Cc1ccnc2nc(C(=O)NNc3cnc4ccccc4n3)nn12	765989692	HGZQXZAWSWOMAI-UHFFFAOYSA-N	320.316	1.133	50	20	DDGD	
CC1(C)OCC(C)(C(=O)NNCC(F)(F)C(F)(F)F)CO1	863097685	RHWMVMKKGNGYOQ-UHFFFAOYSA-N	320.258	1.594	50	20	DDGD	
COc1cccc(C(=O)NNc2cc(C)ncn2)c1[N+](=O)[O-]	769984011	JWCXUUVASASGQL-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
COC[C@H]1CCCN1NC(=O)[C@@H](Br)C(C)(C)C	862594896	NJGHHJOOOOBNPZ-NXEZZACHSA-N	307.232	1.938	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCCC2(C1)OCCO2	866990269	OCBSJRRAFVEMDJ-UHFFFAOYSA-N	311.831	1.420	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C2(C#N)CC(C)C2)c1O	767890230	MDCGVCDEKPGGTH-UHFFFAOYSA-N	303.318	1.102	50	20	DDGD	
CCn1c(NNC(=O)[C@@H]2CCSC2)nc2ccccc2c1=O	761867765	YWDFWGAKAJOIEY-SNVBAGLBSA-N	318.402	1.613	50	20	DDGD	
CCOc1cccc(/C=C/C(=O)NNC(=O)[C@H]2CCCCO2)c1	861853501	PRZKHKFEZCOESE-BOLDSZDNSA-N	318.373	1.815	50	20	DDGD	
COC(=O)c1cccc(S(=O)(=O)NCC(Cl)Cl)c1	867471261	FQTBYMIEXVUDRA-UHFFFAOYSA-N	312.174	1.555	50	20	DDGD	
Cc1cc2ncc(C(=O)NN[C@@H](C)C(F)(F)F)c(C)n2n1	862307039	RWMAUHHJGKUGPP-QMMMGPOBSA-N	301.272	1.531	50	20	DDGD	
COc1ccccc1C(=O)C(=O)NNc1nc(C)cc(C)n1	760825291	NBCGFGXAJNOCRA-UHFFFAOYSA-N	300.318	1.428	50	20	DDGD	
C=CCCCC(=O)OCC(=O)NNC(=O)Cc1ccccc1C	767369112	QEZPKXUCXMHUAZ-UHFFFAOYSA-N	318.373	1.584	50	20	DDGD	
CCc1occc1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1116907261	CUFDQNJPTHUNLJ-UHFFFAOYSA-N	302.334	1.519	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2CCCCN2C)c1	873774929	YSMXQQAIBYHKFQ-CYBMUJFWSA-N	306.435	1.797	50	20	DDGD	
COCCOCC(=O)NN=CC1(CCOC)CCCCC1	872401069	FIMHPVLHLUGOBO-UHFFFAOYSA-N	300.399	1.738	50	20	DDGD	
CCCOc1cccc(NC(=O)C(=O)NNc2ncccn2)c1	773720430	ZCANNEAABRGKDA-UHFFFAOYSA-N	315.333	1.347	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)CNc1ccc(C)cc1C)C(C)C	771720930	ICLQVCRSEMEYQN-HNNXBMFYSA-N	307.394	1.534	50	20	DDGD	
CCC[C@@H]1C[C@@H](C(=O)NNC(=S)NCCSC)CCO1	779948209	SNWMNOOVFWACGN-WDEREUQCSA-N	319.496	1.440	50	20	DDGD	
CC[C@@H](C(=O)NNc1nc(C)cc(C)n1)N1CCO[C@H](CC)C1	773751285	MOQHFLIBDKVALR-KGLIPLIRSA-N	321.425	1.426	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCCOc2ccc(F)cc21	779820491	BORGASVAKNDULB-UHFFFAOYSA-N	309.297	1.175	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)[C@H]1C[C@]12CCOC2	771561181	LTBMHIYFRMANBT-SKDRFNHKSA-N	312.167	1.714	50	20	DDGD	
COc1cccc(C(=O)NNc2cnccn2)c1OC(F)F	775277998	UTXNDBJTVNCJNH-UHFFFAOYSA-N	310.260	1.844	50	20	DDGD	
O=C(C[C@H]1CCS(=O)(=O)C1)NNc1ccc(F)c(F)c1	885109941	JPAHOZXBFIKCRA-MRVPVSSYSA-N	304.318	1.233	50	20	DDGD	
CC(C)S(=O)(=O)CC(=O)NNc1c(F)cccc1Cl	770198254	NOVFTCFWQTXBQZ-UHFFFAOYSA-N	308.762	1.745	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2cc(Br)nn2C)o1	782243258	RYIBGJLDSXSFCZ-UHFFFAOYSA-N	311.139	1.848	50	20	DDGD	
Cc1cccc([C@@H](C)CNC(=O)NNC(=O)C2CCOCC2)c1	883449136	ALXFCRBALQNVBE-ZDUSSCGKSA-N	319.405	1.856	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)[C@H]1CCCS(=O)(=O)C1	885141726	KRTDLYGVHOOYMC-QMMMGPOBSA-N	304.318	1.233	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnn(-c2ccc(C)cc2)c1C	780707213	ZDAQHAQAHRZZHN-UHFFFAOYSA-N	315.377	1.795	50	20	DDGD	
COc1ccccc1OCCN(C)S(=O)(=O)CCCCl	881802745	GJMHJHBBHQOMMB-UHFFFAOYSA-N	321.826	1.965	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C2(OC)CCC2)c1	781562090	UIXCFLXTYZRQML-UHFFFAOYSA-N	308.334	1.034	50	20	DDGD	
O=C(CCC(=O)N1CCOCC1)NNc1ccc(F)c(F)c1	885109982	LCLHXXOUBRKALR-UHFFFAOYSA-N	313.304	1.047	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1sccc1Cl	782220948	YGCJHNSRNUHUOQ-UHFFFAOYSA-N	311.750	1.875	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2ccc(C#N)cc2)nc1	782145148	FFXULWOGNJKDLX-UHFFFAOYSA-N	311.301	1.044	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2cc(C)[nH]n2)c1	780835395	JQQKWHRBIIOBPZ-UHFFFAOYSA-N	303.322	1.331	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@]12CCC[C@@H]1C2	891496151	WOLTXXFNQFDERL-CXAGYDPISA-N	302.374	1.965	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2cc(F)c(F)cc2F)C(=O)O1	896342129	BOSODSSZPITGGC-FWOIEVBISA-N	303.240	1.434	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(C(=O)NCC2CC2)ccc1C	784474692	YJTXLZAYMSTDHZ-UHFFFAOYSA-N	318.377	1.698	50	20	DDGD	
CCc1noc(CCCC(=O)NNC(=O)c2cccc(C)n2)n1	794084247	BPDFSBSZJHJGGC-UHFFFAOYSA-N	317.349	1.119	50	20	DDGD	
C[C@@H]1Cc2cc(/C=C(\C#N)S(=O)(=O)NC3CC3)ccc2O1	899368250	GMSALONXENSKSK-WWNSAXIVSA-N	304.371	1.956	50	20	DDGD	
O=C(/C=C/Sc1ccccc1)NNC(=O)C1CCOCC1	894097240	HFOZYCYZPDMSFR-DHZHZOJOSA-N	306.387	1.866	50	20	DDGD	
CO[C@@H]1CCN(C(=O)NNC(=O)c2cccc(C#N)c2)[C@H](C)C1	799369296	OLSMHMMARQFCPD-BXUZGUMPSA-N	316.361	1.412	50	20	DDGD	
CC(=O)N[C@]1(c2nc(C)no2)CCN(C[C@@H]2[C@@H](C)[C@H]2Cl)C1	895029258	MWUHCZTXMCLWKA-LHNIVKCTSA-N	312.801	1.288	50	20	DDGD	
N#Cc1ccc(Cl)c(C(=O)NNC(=O)c2cccnc2)c1	794605833	WGMMWTDLTTTZAE-UHFFFAOYSA-N	300.705	1.681	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)N1CCN(C)CC1)CC2	790174815	WFOCELUOPBUARE-UHFFFAOYSA-N	302.378	1.303	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2nnn(C)n2)cc1	799460930	SVIZNSCHKXSZTN-WQLSENKSSA-N	313.317	1.259	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)N2CCN(C)CC2)[C@H](C)C1	790180986	GNMSMRAPJMCAGZ-OLZOCXBDSA-N	324.425	1.299	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)C1=CCOCC1	793750727	UGAHJKUVXXOEMC-UHFFFAOYSA-N	322.386	1.281	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)C(=O)Nc1cncc(F)c1	799260827	AGFJVDVDEFJIBR-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
COc1c(C(=O)NNC(=O)CC2CCCC2)cccc1[N+](=O)[O-]	795063975	HRTWWDWREWPVAQ-UHFFFAOYSA-N	321.333	1.945	50	20	DDGD	
COCCOc1ccccc1C=NNC(=O)N1CCN(C)CC1	790174397	NISJIATYKPLXCD-UHFFFAOYSA-N	320.393	1.003	50	20	DDGD	
O=C(NCc1ccccn1)NNC(=O)c1cc2c(s1)CCC2	797358771	QKCGHHDMESGITB-UHFFFAOYSA-N	316.386	1.776	50	20	DDGD	
O=C(CO)NNC(=O)Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1	799451807	DJGSEWPUOZHZLQ-XHNCKOQMSA-N	310.379	1.192	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1ccc(SC)nc1	793077683	DAOVBLWCTQITDF-UHFFFAOYSA-N	317.461	1.869	50	20	DDGD	
CC(=NNC(=O)C[n+]1ccccc1)c1ccc(-n2ccnc2)cc1	1317705886	NUQYPZSFCZTHFG-UHFFFAOYSA-O	320.376	1.700	50	20	DDGD	
Cc1ccc(OCC(=O)NNc2nncc(N)c2Cl)cc1C	1319406163	QAPJQJMHJKIMBY-UHFFFAOYSA-N	321.768	1.851	50	20	DDGD	
Cn1c(C(=O)NNc2ccccn2)cc(Br)c1C=O	1323514059	HILNHJZJDZSWNA-UHFFFAOYSA-N	323.150	1.752	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccn(-c2ccncc2)n1	1322038518	BXOFOASGWZTSHE-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
COc1cccc(C[C@@H](O)C(=O)NNc2cccc(F)n2)c1	1322583726	NCHGFHZOBBKDTG-GFCCVEGCSA-N	305.309	1.276	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1c[nH]cc(Cl)c1=O	1327128584	CCSZEQHWACIKPP-UHFFFAOYSA-N	319.748	1.422	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1[nH]ccc1-c1ccccc1	1327954324	TZVVBMVJSSXDKI-UHFFFAOYSA-N	314.345	1.368	50	20	DDGD	
C=CCN(CC=C)C(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1328614595	NFRLVIRMWQPOBC-MFKMUULPSA-N	315.211	1.477	50	20	DDGD	
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=S)NC(C)C	1338189207	BZRLGCFOYKRASN-SECBINFHSA-N	318.443	1.193	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2ccc(OC)cc2)n1	1333197300	XPFCVTLTNMUSKP-UHFFFAOYSA-N	300.318	1.207	50	20	DDGD	
CCCc1n[nH]cc1C(=O)NNC(=O)c1ccc2ccccc2n1	1255103630	MGRGUMUCBXVIMD-UHFFFAOYSA-N	323.356	1.985	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)C2CCOCC2)cc1OC	1336994461	ADDZDKCJKRFLIT-UHFFFAOYSA-N	306.362	1.971	50	20	DDGD	
CCCN1CCCC[C@H]1C(=O)NNC(=S)N[C@@H](C)C1CC1	1331220379	DJOPSJJCFJFGHC-AAEUAGOBSA-N	312.483	1.545	50	20	DDGD	
CC[C@@H](F)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1	1335754715	VDNYPIFKAPNMDR-GFCCVEGCSA-N	315.370	1.319	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNc2nncc(N)c2Cl)c1	1340554771	KUEZFKRSIZTLKS-VIFPVBQESA-N	321.768	1.931	50	20	DDGD	
C[C@H]1CCCC[C@@H]1CCNC(=O)NNC(=O)C1CCNCC1	1261375286	KPCUKSKXKXMHHQ-QWHCGFSZSA-N	310.442	1.533	50	20	DDGD	
CCOC(=O)c1ncc(C(=O)NNc2cccc(OC)n2)s1	1342488642	HRNVXKPZIBHDBP-UHFFFAOYSA-N	322.346	1.480	50	20	DDGD	
Cc1nnsc1C(=O)NNc1nc(O)c2ccccc2n1	1343449463	ZNQYRUVOKBRERQ-UHFFFAOYSA-N	302.319	1.252	50	20	DDGD	
CNC(=O)NNC(=O)[C@H]1CCCCN1Cc1cccc(F)c1	1519020539	MZUAHDMLLBKTHR-CYBMUJFWSA-N	308.357	1.140	50	20	DDGD	
O=C(NN=Cc1ccc(F)c(-c2nn[nH]n2)c1Cl)C(F)F	1609557470	OLOAXUDFWBMDRK-UHFFFAOYSA-N	318.646	1.374	50	20	DDGD	
Cc1nnc([C@H](C)NC(=O)NNc2cccc(C(=O)O)c2)o1	1600792318	NPBILFXULCYBMS-ZETCQYMHSA-N	305.294	1.464	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1ccc(OCC(=O)O)cc1	1602987570	SGGWVNZGWVQVAA-RISCZKNCSA-N	320.345	1.415	50	20	DDGD	
COCCn1ccc(C(=O)NNc2ccc(C(=O)O)cc2F)n1	1606932617	FLTKXKPACNFEOW-UHFFFAOYSA-N	322.296	1.124	50	20	DDGD	
N[C@@H]1CCC[C@H](NC(=O)NNc2ccc(F)c(C(=O)O)c2)C1	1601179041	FAMDEWSHOGTADE-BDAKNGLRSA-N	310.329	1.420	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@@H]2CCC[C@@H](C(=O)O)C2)c1Cl	1608274030	MCGSDSKCYKHTCL-RNFRBKRXSA-N	313.745	1.046	50	20	DDGD	
O=C(O)[C@@H]1CC[C@@H]1NS(=O)(=O)c1ccc(CCCl)cc1	1608803694	LBPVOBITCRJJEH-NEPJUHHUSA-N	317.794	1.609	50	20	DDGD	
C[C@@H](CC=NNC(=O)C(F)(F)Oc1ccccc1)C(=O)O	1604129761	KIYPRCOITXCDJG-VIFPVBQESA-N	300.261	1.871	50	20	DDGD	
CCCc1n[nH]cc1C(=O)NNc1ccc(F)c(C(=O)O)c1	1605364534	PNSOCRAPLCHUHH-UHFFFAOYSA-N	306.297	1.956	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@H]1C(=O)NN=Cc1cscn1	1549316551	PTNFWPJPEGMFCZ-YPMHNXCESA-N	319.390	1.495	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1nc(C)sc1C	1549312034	ACHUXCIFNYCEMI-CHWSQXEVSA-N	322.434	1.463	50	20	DDGD	
Cc1csc(=O)n1CCC(=O)NNc1cccc(C(=O)O)c1	1610544043	RHZUWBOOYAEIFZ-UHFFFAOYSA-N	321.358	1.450	50	20	DDGD	
Cc1cccc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)c1C	1549319295	TVRLWJYDYJJEQZ-HOTGVXAUSA-N	301.390	1.617	50	20	DDGD	
C[C@H](O[C@@H]1CS(=O)(=O)C[C@@H]1Br)C(F)(F)F	158480402	DHJZGHQIXFVJGO-HCWXCVPCSA-N	311.119	1.514	50	20	DDGD	
CC1(C)[C@@H](N)C[C@H]1C(=O)NNC(=O)Cc1ccc(Cl)cc1	1576371161	JTUDNRFVOJNXJV-RYUDHWBXSA-N	309.797	1.403	50	20	DDGD	
CCO[C@@H](C(=O)NNc1ncccc1C(=O)O)C1CCCC1	1573907855	KHGSNPRYWPTGPR-GFCCVEGCSA-N	307.350	1.818	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(C(=O)O)c1F)c1ccnn1C	1589422069	AOXFWQMJDLJCEJ-MRVPVSSYSA-N	306.297	1.504	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCNC1)c1cccc2scnc12	1580733289	QZAGVEXPZQIBNZ-VIFPVBQESA-N	304.375	1.057	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnc[nH]1	1847867581	XUDPQPZCGNBDMZ-DRZSPHRISA-N	324.812	1.633	50	20	DDGD	
O=C(CC1(O)CCC1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843367336	VJSAVVNEUPKLPJ-LLVKDONJSA-N	318.776	1.029	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)Cc1ccc(C(=O)O)cc1	1592040051	XZRZUWIOJZUGFA-UHFFFAOYSA-N	314.345	1.984	50	20	DDGD	
C=CCC(=O)N1CCCC12CN(C(=O)CCBr)C2	1846376201	UHHCQJVKUMYEEZ-UHFFFAOYSA-N	315.211	1.551	50	20	DDGD	
CN1C(=O)CC[C@@H]1C(=O)NNc1ccc(C(=O)O)c(Cl)c1	1598548348	RBIHHGSJAPVBSF-SNVBAGLBSA-N	311.725	1.102	50	20	DDGD	
CO[C@@H]1CCN(C(=O)C2CCC(Cl)CC2)[C@@H](C(=O)O)C1	1599119696	NDMBIMYKLOLYHP-KIDURHIOSA-N	303.786	1.875	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cc(C)cc(C(=O)O)c1	1599738914	OZQIEBZIKSRRNP-UHFFFAOYSA-N	317.305	1.640	50	20	DDGD	
Fc1cccc(N2C[C@H]3[C@H](Br)[C@H]3C2)c1-c1nn[nH]n1	1592659859	PMLXDVSCXZQDQU-IIDWOEFGSA-N	324.157	1.835	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H](C)C(=O)O)c1C	1593898321	SNCTXWFYYKETCK-MRVPVSSYSA-N	309.322	1.128	50	20	DDGD	
Cc1cc(=NNC(=O)c2cccc(OCC(=O)O)c2)cc[nH]1	1594325199	GRYPVDRPHINVED-UHFFFAOYSA-N	301.302	1.032	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)o1)c1ccc(-c2nn[nH]n2)cc1	1593154733	HARHTCVASBUCAI-UHFFFAOYSA-N	316.708	1.877	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NN=Cc1cc(C(=O)O)co1	1776017327	NBOVDBVPIQSRCW-UHFFFAOYSA-N	312.285	1.478	50	20	DDGD	
COc1ccc(C(=O)O)cc1C=NNC(=O)NCC(F)(F)F	1776036466	PEUPQRNLNWURSQ-UHFFFAOYSA-N	319.239	1.589	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2ccn(C(F)F)n2)cc1	1776100027	NCASXXJLNHNLOT-UHFFFAOYSA-N	308.244	1.740	50	20	DDGD	
CC(=O)NNC(=O)Nc1cccc(C(=O)N2CCCC2)c1C	162321425	TZNJATBKDIIUIW-UHFFFAOYSA-N	304.350	1.404	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H]1C[C@H]1c1sccc1C	163047301	OETSXVFQPYKYPD-MNOVXSKESA-N	311.407	1.527	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cncc(F)c1	164301029	RCMZTOHQRZMKKL-SECBINFHSA-N	321.283	1.588	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2ccnn2CC)n1	164948552	ABFDTEWUGGEHGQ-UHFFFAOYSA-N	303.370	1.296	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cc(C)n[nH]2)cc1[N+](=O)[O-]	153202231	REUYGASBTPRZEY-UHFFFAOYSA-N	317.305	1.264	50	20	DDGD	
CNC(=O)c1cccc(CNS(=O)(=O)CCCCCl)c1	153394481	ZZVPMDQMQQZLEG-UHFFFAOYSA-N	318.826	1.485	50	20	DDGD	
CC1(C)[C@@H](NC(=O)NNc2ccc(Cl)nn2)[C@H]2CCO[C@@H]21	155342027	LBQCABJZKNGOKF-GGVZMXCHSA-N	311.773	1.570	50	20	DDGD	
O=C(NNc1ncccn1)N[C@@H](CCCO)c1ccccc1	156315855	MBQBERFUUVNYHC-ZDUSSCGKSA-N	301.350	1.617	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CC(=O)NNc1ccncc1Cl	154533267	IVXBDSBXWUHGRP-UHFFFAOYSA-N	310.701	1.291	50	20	DDGD	
CNC(=O)C[C@@H](C)NS(=O)(=O)c1ccc(CCCl)cc1	322802886	QWVCGGLKVZSGRB-SNVBAGLBSA-N	318.826	1.271	50	20	DDGD	
Cc1cnn(CC(=O)N(C)NC(=O)OCc2ccccc2)c1	862286942	KYKZRVNOOPOERB-UHFFFAOYSA-N	302.334	1.491	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1csc2c1CCCC2	106417285	AIUWOEMENZDTFJ-UHFFFAOYSA-N	304.375	1.354	50	20	DDGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NNC(=O)NC)c1C	56376702	JTIWKAPCATZFMO-NTEUORMPSA-N	317.393	1.772	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NNC(=O)Cc1ccccc1F	109020668	WVDIFFJSXRJIKY-XQQFMLRXSA-N	321.396	1.777	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2ccc(C)o2)C1	176209649	ZVJTZAUKKAMGAN-GHMZBOCLSA-N	308.334	1.328	50	20	DDGD	
CC(C)[C@@H](C)CC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1	67900170	CNAZTNABIFWXCR-NSHDSACASA-N	316.365	1.106	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NNc2ncccn2)C1	67917210	JULKMOFWXREKAF-LLVKDONJSA-N	305.382	1.204	50	20	DDGD	
CC(C)[C@H]1CCC[C@@H](NC(=O)NNC(=O)C(=O)N2CCCC2)C1	171452485	YJSLOWNNAYZLPD-QWHCGFSZSA-N	324.425	1.154	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ccc(Br)cc1	171182652	WKKWBBVLACYYFB-VHSXEESVSA-N	313.151	1.701	50	20	DDGD	
O=C(NCC1CC1)NNS(=O)(=O)c1ccc2ccccc2c1	64940363	KCRAMVZGQMZIFA-UHFFFAOYSA-N	319.386	1.742	50	20	DDGD	
O=C(Cc1cc(F)ccc1F)NNc1ncnc2nc[nH]c12	173931051	FEWGCNORUSSRFF-UHFFFAOYSA-N	304.260	1.317	50	20	DDGD	
CCCNC(=O)NNC(=O)/C=C/c1ccc(OC)c(OC)c1	68932407	WYLSSBTYPIIXPV-SOFGYWHQSA-N	307.350	1.457	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1nc2ccccc2s1	119699524	DXSSPHUHDRHPMS-UHFFFAOYSA-N	301.331	1.403	50	20	DDGD	
CC(=O)CCCC(=O)NNC(=O)CNc1ccc(C)cc1C	178416102	RCDUWXHAASCMJT-UHFFFAOYSA-N	305.378	1.622	50	20	DDGD	
C[C@@H](OC1CCCCCC1)C(=O)NNC(=O)Cc1ccncc1	121988689	VQZOKXWOWVIVPU-CYBMUJFWSA-N	319.405	1.899	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@H]1CCN(c2ccccc2)C1	121173704	HVBVQUUPMLFSQJ-CYBMUJFWSA-N	318.421	1.889	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C)CCc1cccc(F)c1	79330689	FLFJKDZJMWWXLA-NSHDSACASA-N	323.368	1.066	50	20	DDGD	
CCc1ccccc1CNC(=O)NNC(=O)Cc1cccnc1	126632094	MBGQTZHBIKMKLQ-UHFFFAOYSA-N	312.373	1.717	50	20	DDGD	
COc1ccc(NNC(=O)CNC(=O)c2ccc(F)cc2)nc1	187463963	QJXXNEPNXLLXIW-UHFFFAOYSA-N	318.308	1.102	50	20	DDGD	
CCn1nc(C(=O)NNc2ccc(OC(F)F)cc2)ccc1=O	122919908	YEQJBMXPMIMPBZ-UHFFFAOYSA-N	324.287	1.622	50	20	DDGD	
CN1/C(=C(/C#N)C(=O)Cn2nccc2[N+](=O)[O-])Nc2ccccc21	128039872	FULMVKBYVBVYJY-GDNBJRDFSA-N	324.300	1.657	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2cncc(Cl)n2)c1F	128360004	DBJURSUPCQKMOC-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
COc1cccc(NNC(=O)NCc2ccccc2[N+](=O)[O-])n1	180976106	JQUGSQRICTWAAD-UHFFFAOYSA-N	317.305	1.825	50	20	DDGD	
CC1CCN(CCCCNC(=O)NNC(=O)C(C)(C)C)CC1	79389711	XJYLYMPWEUKIPL-UHFFFAOYSA-N	312.458	1.875	50	20	DDGD	
C[C@H](OC[C@H]1CCCO1)C(=O)NNc1ccc([N+](=O)[O-])cc1	133902464	SADYBDBRUDQYNS-GXFFZTMASA-N	309.322	1.622	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)C1C2CC3CC(C2)CC1C3	81025223	LYZHTSLGOXOQIV-UHFFFAOYSA-N	313.401	1.844	50	20	DDGD	
O=C(CSCc1cccnc1)NNc1nc2ccccn2n1	191890622	JINCGUQVOONABV-UHFFFAOYSA-N	314.374	1.501	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@@H]2OCCc3ccccc32)n1	134134218	PUPXHTSGGJCKJW-GFCCVEGCSA-N	319.752	1.469	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)Nc1ccncc1[N+](=O)[O-]	192386310	NYZQEXPPXDULFM-UHFFFAOYSA-N	314.265	1.181	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2nccs2)cc1	192896382	XKJOMRLYNWMWSL-UHFFFAOYSA-N	306.347	1.683	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)n1	249312007	MBLVWJNOPXDUCI-RHYQMDGZSA-N	305.382	1.936	50	20	DDGD	
CCSCC[C@@H](C)NC(=O)NNc1nc(C)cc(OC)n1	266919809	BYERLIFOZAJNSR-SECBINFHSA-N	313.427	1.951	50	20	DDGD	
COc1cccc([C@@H](C)CC(=O)NNC(=O)N2CCOCC2)c1	267806631	QUQDZMPDENPPMR-LBPRGKRZSA-N	321.377	1.262	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNc2nc3ccccc3c(=O)n2C)O1	268116310	KFFHZGVUHUVOJF-MFKMUULPSA-N	316.361	1.334	50	20	DDGD	
CC(C)N1C[C@@H](NC(=O)NNc2ccc(Cl)nc2)CC1=O	267776744	XWYJRERHWGGNQI-JTQLQIEISA-N	311.773	1.370	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CN1CCSC1=O)c1ccccc1	264611392	GRUUGOPDYDDSCC-UHFFFAOYSA-N	321.402	1.280	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1c1ccccc1)c1ccncc1	365521111	ZZHWEMJCCYYLOT-HNNXBMFYSA-N	310.357	1.512	50	20	DDGD	
C=C(CBr)CN1CC[C@@H](C(=O)N2CCCC2)C1	368620174	WYADOHVTUCXBHM-GFCCVEGCSA-N	301.228	1.882	50	20	DDGD	
CC(C)OCCCC(=O)NNC(=O)COc1ccccc1F	273096968	UXEATAVVXZQFNA-UHFFFAOYSA-N	312.341	1.557	50	20	DDGD	
C=CCNC(=S)NNC(=O)C1CC(OCc2ccccc2)C1	363137577	AZURGWSEGRUGRO-UHFFFAOYSA-N	319.430	1.663	50	20	DDGD	
CN([C@H](CCO)c1ccccc1)S(=O)(=O)CBr	272872401	ZYIJPHOGJXXYRO-LLVKDONJSA-N	322.224	1.724	50	20	DDGD	
O=S(=O)(N[C@@H](CCO)C1CC1)c1ccc(CCCl)cc1	751440696	LJKZDOAWBCBDTC-AWEZNQCLSA-N	317.838	1.907	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)c1	275510865	KGRVXSWKBNKRCA-GXTWGEPZSA-N	301.350	1.344	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cn(C(C)C)cn2)n1	282103206	WFVFMUXGSZRDOH-UHFFFAOYSA-N	317.397	1.857	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNc1ccc(Cl)nc1)c1nncn1C	288366194	IWAMYNAHPNAVDS-LLVKDONJSA-N	323.788	1.887	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)Cc2ccccc2OC)CC1	281680615	QSNBGUXAKWQZCN-UHFFFAOYSA-N	306.362	1.202	50	20	DDGD	
C[C@H]1OCCN[C@@H]1C(=O)NNc1c(Cl)cccc1Cl	285441716	IVZLVZGECQHSLG-XCBNKYQSSA-N	304.177	1.813	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)N[C@H]1CCO[C@]2(CCOC2)C1	371432665	KOCVRGTZQZFKMO-XHDPSFHLSA-N	313.398	1.091	50	20	DDGD	
NC1[C@H]2CCC[C@H]1CC(C(=O)NNC(=O)c1ccccc1)C2	285813166	WOPFDDDJQKWSID-HESLUPGFSA-N	301.390	1.601	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnc2ccc(C)cc2c1O	287917969	QCIYDPIJQFZYSS-UHFFFAOYSA-N	302.334	1.555	50	20	DDGD	
NC(=O)c1cccc(OCCC(=O)NCC(Cl)Cl)c1	288325296	VDHUHIUKZCSDMT-UHFFFAOYSA-N	305.161	1.474	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)c1	282638201	KGEGMMNXQSBJTE-COPLHBTASA-N	317.414	1.799	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1nc(C(C)C)ncc1Cl	281352680	VNQYZCXEFWIQDI-UHFFFAOYSA-N	313.814	1.548	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1OC[C@@H]2COCC[C@@H]21	289599709	DJFITDAYGRQWPU-OUJBWJOFSA-N	307.306	1.089	50	20	DDGD	
C[C@H](C(=O)NNc1cccnn1)N(C(=O)OC(C)(C)C)C1CC1	295860841	OHVXBKWAGITKKN-SNVBAGLBSA-N	321.381	1.708	50	20	DDGD	
C[C@](O)(CCc1ccccc1)C(=O)NNC(=O)NCC1CC1	801140168	CSZBLRHJWBQFBH-INIZCTEOSA-N	305.378	1.111	50	20	DDGD	
CCOc1cnc(C(=O)NNC(=O)Nc2ccccc2)cn1	801990075	UPKVLUOHUGCNJH-UHFFFAOYSA-N	301.306	1.342	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)Nc1ccc2c(c1)OCO2)N(C)C	802094997	MOCVAUNKEYXDLK-ZDUSSCGKSA-N	322.365	1.154	50	20	DDGD	
O=C(NNC(=O)c1ccccc1-n1ccnn1)Nc1ccccc1	801987864	BJCAOGLHYIMVOT-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc(-c3ccco3)on2)O1	294381072	WOCBGAGLTVEFLZ-KWQFWETISA-N	305.290	1.263	50	20	DDGD	
CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NNc1ncc(F)cc1F	297142661	HQHSAGKLSPUBQT-IEBDPFPHSA-N	312.320	1.799	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCO1)N[C@H]1CCC[C@@H]1c1ccccc1	297107973	FQQZVKKNVUZXIX-QLFBSQMISA-N	317.389	1.832	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC2C[C@@H]3CC[C@H](C2)N3C)n1	296895903	DENBPUCFCIPPEA-YOGCLGLASA-N	320.397	1.045	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2c(F)cc(C#N)cc2F)O1	293959701	QWNXXAUFASAKFS-CPCISQLKSA-N	309.272	1.165	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)c2cncs2)o1	299420851	XCYFKDINUKLQJT-UHFFFAOYSA-N	322.390	1.653	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCCSC2)cc1	809958552	CAKWUHIRSDFQFL-GFCCVEGCSA-N	308.403	1.664	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2cc(C(=O)O)c(C)[nH]2)cc1	800807016	LRZLDSAVXRTSFY-UHFFFAOYSA-N	315.329	1.859	50	20	DDGD	
Cc1nn(-c2ccccn2)c(C)c1C=NNC(=O)c1ccc[nH]1	802710277	TYQRQUPYNXJOKS-UHFFFAOYSA-N	308.345	1.976	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CSC(F)F)c(C)c1	294950055	DGANBNZHRMRNMM-UHFFFAOYSA-N	317.361	1.819	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)Nc2ccc(OC)cc2)n1	816596678	LQWYROYBTWREPH-UHFFFAOYSA-N	318.337	1.082	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(Cl)n1)N1CCSCC1	817009416	IYBHZBOVYUNKDX-SECBINFHSA-N	300.815	1.615	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@@H](CO)c1ccc(Cl)cc1	813720696	WIMZCXSXYIYEEC-UKVQZPPCSA-N	308.765	1.976	50	20	DDGD	
Cc1cccc(Br)c1C(=O)NNC(=O)NC1CC1	813423711	LRLYFJZPRQHGOI-UHFFFAOYSA-N	312.167	1.864	50	20	DDGD	
O=C(CC1CC1)NN=C1CCCc2c1cnn2-c1ncccn1	814991001	NVOZJBCRKKLCBN-UHFFFAOYSA-N	310.361	1.619	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccccc1-n1ncc(C#N)c1N	819734582	WSTVVGWOBYGDFX-ZRDIBKRKSA-N	322.328	1.709	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)c2c[nH]c3ccccc23)n1C	811629817	HLSZMUCZAREMHB-UHFFFAOYSA-N	310.361	1.731	50	20	DDGD	
Cc1cc(=O)oc2cc(OCC(=O)NN(C)C3CC3)ccc12	819642910	QSUCYRYXLFFDME-UHFFFAOYSA-N	302.330	1.606	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H]1C[C@H](c2ccccc2)OC1=O	813423381	CWXVDQKWSJMGPY-CHWSQXEVSA-N	319.361	1.421	50	20	DDGD	
CC(=NNC(=O)Nc1ccc2c(c1)OCO2)c1csc(N)n1	814992312	IOHAZSHUZQYZFB-UHFFFAOYSA-N	319.346	2.000	50	20	DDGD	
C#C[C@H](C)NC(=O)NNC(=O)CCSc1ccc(F)cc1	820441851	YIKBFZXMXMDANJ-JTQLQIEISA-N	309.366	1.660	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(N)c(OC(F)(F)F)c1	821218336	ZDZDEKUADZLUEV-ZETCQYMHSA-N	307.272	1.125	50	20	DDGD	
COC(=O)c1ccc(Cl)c(C(=O)NN(C)[C@H](C)CO)c1	823924059	XVUQUHQIBVAOAK-MRVPVSSYSA-N	300.742	1.084	50	20	DDGD	
CCN(CCO)NC(=O)C1(OCc2ccccc2)CCOCC1	823869293	HIGSATSZGCDMQO-UHFFFAOYSA-N	322.405	1.098	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C[C@H](c1ccccc1)c1ncc[nH]1	820987039	FGYAKWKJQHQBGM-CQSZACIVSA-N	312.373	1.879	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CN(C)C(=O)OC(C)(C)C	495859828	SXENWHDIRJJUBF-UHFFFAOYSA-N	323.397	1.910	50	20	DDGD	
COC(=O)N(C)NC(=O)c1c(C)nn(Cc2ccccc2)c1C	495760497	HPTILWGFUQCCTO-UHFFFAOYSA-N	316.361	1.891	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1cnc2n1CCC2	823810668	PSXDNABCXGPPHV-UHFFFAOYSA-N	319.390	1.078	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cnc2n1CCCC2	826449323	MMODKUXOIBTPOG-UHFFFAOYSA-N	324.348	1.156	50	20	DDGD	
CN(C/C=C/C(=O)NNc1ncncc1F)CC(F)(F)F	492941175	OLGPBEQENOALAK-NSCUHMNNSA-N	307.251	1.109	50	20	DDGD	
CC[C@@H](C)c1ncc(NC(=O)c2ccc(B(O)O)c(F)c2)cn1	584983461	MSNJMQDVWAFRSS-SECBINFHSA-N	317.129	1.061	50	20	DDGD	
Cc1cc(C(F)(F)C(=O)NN(C)[C@@H](C)CO)cnc1Cl	823384887	WQSCUXNPVBUMDT-QMMMGPOBSA-N	307.728	1.479	50	20	DDGD	
CCOC(=O)NNC(=O)CCCC(=O)Nc1ccccc1C#N	493968207	GQRDNJKLDOASDH-UHFFFAOYSA-N	318.333	1.444	50	20	DDGD	
CC(C)(C)c1csc(CCNCc2cccc(B(O)O)c2)n1	585022683	WDNCVWNWXWACMW-UHFFFAOYSA-N	318.251	1.453	50	20	DDGD	
Cc1ccc(NNC(=O)CNC(=O)N2CCCC2)c(Cl)c1	909206588	NGELBIUNUBTGBN-UHFFFAOYSA-N	310.785	1.897	50	20	DDGD	
CCN(CCO)NC(=O)c1sc(-c2ccc(C)o2)nc1C	823846164	CSEXGHACRYSIQW-UHFFFAOYSA-N	309.391	1.979	50	20	DDGD	
CC(C)(C)[C@@H]1OCCC[C@@H]1CNCc1cccc(B(O)O)c1	585024120	UDFYGNFALNPFAR-GDBMZVCRSA-N	305.227	1.297	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)on1	824342635	RJJAPZUJXAVDGQ-UHFFFAOYSA-N	313.321	1.735	50	20	DDGD	
CCCC1(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)CC1	825247434	DLFLAIUMQFTDGO-UHFFFAOYSA-N	321.772	1.939	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1	827269223	WEMXCRWAXBNJGC-OZYNSXBJSA-N	319.405	1.296	50	20	DDGD	
OB(O)c1ccc(-c2noc([C@@H]3CCCCC3(F)F)n2)cc1	585054981	OZQKLIWRRMBCMZ-NSHDSACASA-N	308.093	1.709	50	20	DDGD	
Cc1cccc2sc(NNC(=O)C[C@@H]3CCC(=O)N3)nc12	828362127	CBJAOFNLYRKDBF-VIFPVBQESA-N	304.375	1.717	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC2CCC(C(=O)O)CC2)n1	738380039	UXDJDGCYJKMTSL-UHFFFAOYSA-N	307.354	1.363	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@@H](c2cccnc2)C1	829519042	RLTJHWQONKFRTH-DZGCQCFKSA-N	318.421	1.453	50	20	DDGD	
C[C@]1(C(=O)Nc2ccc(-n3cncn3)nc2)C[C@@H]1Br	905878935	IOXBCCIPAUCBPX-CABZTGNLSA-N	322.166	1.774	50	20	DDGD	
CC(C)NC(=O)NNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1	739714013	YSFRRIVKLBXXSS-UHFFFAOYSA-N	308.338	1.611	50	20	DDGD	
CCNC(=O)NN=C[C@H](CC(F)F)NC(=O)OC(C)(C)C	496147522	PRJMEZJBFGSMKA-QMMMGPOBSA-N	308.329	1.840	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)cc1)c1cncs1	734744549	AHBHCNIOVPPUKQ-UHFFFAOYSA-N	302.359	1.930	50	20	DDGD	
O=C(c1ccc(F)cc1C(F)(F)F)N1CC[C@H](B(O)O)C1	585064070	BZWYVJAQAMWKED-ZETCQYMHSA-N	305.036	1.533	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)Nc1ccc(N(C)C)cc1	491309306	YPWCSNQESGGGBI-UHFFFAOYSA-N	310.361	1.738	50	20	DDGD	
C[C@]1(C(=O)NCCOC[C@H]2CCOC2)C[C@H]1Br	906635246	GMMCZUGHBFJPGT-UMNHJUIQSA-N	306.200	1.329	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCCN1CCCC1=O	491159069	HKHDFFAXQDANAX-JLHYYAGUSA-N	301.321	1.471	50	20	DDGD	
COc1ccc([C@H](NCc2ccc(B(O)O)o2)C2CC2)cc1	585015267	VFJIEZSKPYOOKP-MRXNPFEDSA-N	301.151	1.209	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1cc(Cl)c2c(c1)C[C@H](C)O2	736064428	SWRVINYHNZSKJN-ZETCQYMHSA-N	318.782	1.383	50	20	DDGD	
CC(C)[C@@H](C)NC(=O)COC(=O)/C(C#N)=C/c1cnn(C)c1	837969441	NSFAGJXITJMOGW-MYMMUUHESA-N	304.350	1.031	50	20	DDGD	
C[C@H](OC[C@@H]1CCCCO1)C(=O)NNc1cccc(C(=O)O)c1	833536225	PSIXEZYUAYBLSV-FZMZJTMJSA-N	322.361	1.802	50	20	DDGD	
O=C1CCC(=NNC(=O)Nc2ccc3c(c2)OCO3)CCN1	834983829	UWGVIHNDYGVLGC-UHFFFAOYSA-N	304.306	1.193	50	20	DDGD	
Cc1ccc(OCCNC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	836187519	ZOYNHKVHAALCRZ-AWEZNQCLSA-N	321.377	1.273	50	20	DDGD	
O=C(Cc1cccc(C(=O)O)c1)NNC(=O)CC1CCCC1	833765818	OWDBORALWKBOFG-UHFFFAOYSA-N	304.346	1.655	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)NOCC1CC1	838604186	PDNILFBWTXJZDQ-UHFFFAOYSA-N	302.334	1.382	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1cc(O)cs1	738545977	XJMNXUIIBQCSCB-UHFFFAOYSA-N	306.343	1.432	50	20	DDGD	
CCCC[C@H](CC)CNC(=S)NNC(=O)c1cnn(C)c1	735416654	GCSPVORNBXSUDC-NSHDSACASA-N	311.455	1.745	50	20	DDGD	
C[C@H](CNCc1cccc(B(O)O)c1)Oc1ccc(F)cc1	585027684	XTEUVOKHGGNKIE-GFCCVEGCSA-N	303.142	1.063	50	20	DDGD	
CCn1cc(C(=O)NNC(=S)NC(C)(C)C)c(C2CC2)n1	900001134	IFBVVAWWFHACIR-UHFFFAOYSA-N	309.439	1.688	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H](C)c2ccn(C)n2)c1	838773242	LVEYSFUKPWCJMJ-SNVBAGLBSA-N	317.349	1.594	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(=O)n(-c2cccc(F)c2)c1	837623794	PBWDBFZJDICFNA-UHFFFAOYSA-N	319.336	1.200	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2cnnc3ccccc23)s1	733811366	GSXKBSSRYPARFH-UHFFFAOYSA-N	313.342	1.547	50	20	DDGD	
O=C(CCc1nnc(-c2ccsc2)o1)NNc1cccnn1	736711028	RITNLYPJMIEVBC-UHFFFAOYSA-N	316.346	1.664	50	20	DDGD	
COc1ccc(Cl)cc1C(C)=NNC(=O)CN1CCCC1=O	730553492	ZEABTOSYWWEEFT-UHFFFAOYSA-N	323.780	1.811	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccc3c(c2)OCO3)nn1	730021276	DGAYNFIZNKOMKG-UHFFFAOYSA-N	301.306	1.340	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCOc1ccc([N+](=O)[O-])cc1	731686607	FQNKZNJFTRIFDT-UHFFFAOYSA-N	324.337	1.350	50	20	DDGD	
CC(C)(C)[C@H]1C[C@@H](NCc2ccc(B(O)O)cc2F)CCO1	585031653	IOUADKCFISPQIS-DZGCQCFKSA-N	309.190	1.189	50	20	DDGD	
C[C@@H]1CC[C@H](CNC(=O)NNc2ccc3c(=O)[nH]ccc3c2)O1	838738926	BWNYUCRZYNNSQI-ZWNOBZJWSA-N	316.361	1.722	50	20	DDGD	
CO[C@H]1c2ccccc2C[C@H]1NCC(=O)NNC(=O)C(C)(C)C	839630054	ZQQCTYXWSJKSTM-HIFRSBDPSA-N	319.405	1.082	50	20	DDGD	
O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)CCCCl	739561101	VUXUFIYMAOWXOJ-MXWKQRLJSA-N	309.815	1.663	50	20	DDGD	
CC1(C)C[C@H](CNC(=O)NNC(=O)c2ccccc2O)CCO1	838735609	PBPRQBHTWFYEQD-LLVKDONJSA-N	321.377	1.541	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(-c2cccs2)on1	833256599	PLBGKDFGUICDPQ-JTQLQIEISA-N	321.358	1.733	50	20	DDGD	
COc1cccc([C@H](C)NC(=O)NNC(=O)c2ccc[nH]2)c1	918109570	QFFMNVTYLWVBDU-JTQLQIEISA-N	302.334	1.729	50	20	DDGD	
CO[C@@H]1CC(=NNC(=O)C(=O)Nc2ccc(C)cc2)C12CCC2	834936004	OEVFORBAEXFSCT-CQSZACIVSA-N	315.373	1.995	50	20	DDGD	
CC(=NNC(=O)[C@H]1COc2ccccc2O1)[C@@H]1C[C@H]2CC[C@H]1O2	834917558	DXCHFBHQCNXKMA-OQMKEHIESA-N	316.357	1.886	50	20	DDGD	
CN(C)CCOc1ccc(C=NNC(=O)[C@H]2CCCCO2)cc1	834988157	HDTSNTJLBCIHBZ-MRXNPFEDSA-N	319.405	1.646	50	20	DDGD	
Cc1sc2nc(CS[C@H](C)C(=O)NN)nc(O)c2c1C	916665511	CBDUAMCWHDUHQU-SSDOTTSWSA-N	312.420	1.625	50	20	DDGD	
Cc1n[nH]c(C)c1C=NNC(=O)[C@H](C)CN1CCC(C)CC1	915953227	SEOBVAULRZVAPP-GFCCVEGCSA-N	305.426	1.845	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1	910183709	NVBAKWKFBPLAJC-LURJTMIESA-N	305.693	1.345	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=Cc1ccccc1[N+](=O)[O-]	747635974	AFHMNBWGJRQHJD-UHFFFAOYSA-N	323.312	1.935	50	20	DDGD	
CC(=NNC(=O)C(N)=O)[C@H](C)Oc1ccc(Cl)cc1Cl	749853605	QDVIICZNDWDFSH-ZETCQYMHSA-N	318.160	1.738	50	20	DDGD	
CN(C)CCOc1ccc(C=NNC(=O)N2CCOCC2)cc1	745592319	VPUBJSCNGCAWLR-UHFFFAOYSA-N	320.393	1.003	50	20	DDGD	
CCS(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)C(C)C)c1	740738925	VIRUNUWCTPMETE-UHFFFAOYSA-N	316.354	1.036	50	20	DDGD	
O=C(NNC(=O)c1cccc2cccnc12)c1cc(C2CC2)[nH]n1	747426053	ZCRCNQHBGDBLLT-UHFFFAOYSA-N	321.340	1.910	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Cc1ccn(C(C)C)n1	740740392	SCWFOLZOYIWFMH-UHFFFAOYSA-N	300.362	1.776	50	20	DDGD	
O=C(CCCOc1cccnc1)NNc1ncnc2[nH]cnc12	743471775	VRYQNIGABXBNBT-UHFFFAOYSA-N	313.321	1.050	50	20	DDGD	
C[C@@H]1CN(C[C@@H](C)C(=O)NN=C2CCSCC2)C[C@@H](C)O1	916370884	GTXHEEBYCOXZPP-JHJVBQTASA-N	313.467	1.731	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2cc[nH]c2C)c1	749865292	GXUVGHNGZRJNHV-UHFFFAOYSA-N	303.318	1.415	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC[C@H](n2ccnn2)C1	911828991	CZCBHZHUYYXZTC-UWVGGRQHSA-N	315.215	1.861	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccccc2OC(F)F)n1	740103696	YUEIJMWZTZBZOR-UHFFFAOYSA-N	323.303	1.901	50	20	DDGD	
CC(C)NCCCNC(=O)NNC(=O)Cc1ccccc1F	841934485	XMQJMFNROCJADS-UHFFFAOYSA-N	310.373	1.087	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C/c1cccnc1	910188107	VJDIAAFGUWOTLY-NNNHXZLVSA-N	319.361	1.220	50	20	DDGD	
C[C@@H]1CCCc2ncc(C(=O)NNc3ccc(Cl)nn3)n21	846635328	RVAUFDTWXNTJNO-MRVPVSSYSA-N	306.757	1.981	50	20	DDGD	
CC[C@@H]1COC(C)(C)CN1C(=O)/C(C#N)=C/c1cnn(C)c1	846376219	SSCGYGIMTOJSQO-YGLIYXGISA-N	302.378	1.743	50	20	DDGD	
O=C(C[C@H]1CCCO1)NNc1ncc(Br)cn1	848319964	HSELOPLAFCDNEG-MRVPVSSYSA-N	301.144	1.251	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2ccc(Cl)cc2O)cnn1C	918362183	MLUIZTWJMOCQDG-UHFFFAOYSA-N	322.752	1.416	50	20	DDGD	
CCC(CC)(CO)C(=O)NNC(=O)c1c(C)nc2ccccn12	847299181	WBSDSLZRCSMLSY-UHFFFAOYSA-N	318.377	1.202	50	20	DDGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NNc1cc(Cl)nc(C)n1	841474275	JAQNWPJRZLQAPG-MADCSZMMSA-N	313.789	1.432	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(C(=O)O)c(F)c1	849176038	CSSXBUQDHKDGLZ-QQCYMQAYSA-N	306.293	1.582	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CC[C@H](C)CC2)cc1	845098218	ZJAWXICSYVMQDJ-AULYBMBSSA-N	317.389	1.907	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CCCC[C@@H]2CN)c1	841954375	WQDFUCISWHYGQH-OCCSQVGLSA-N	320.393	1.617	50	20	DDGD	
C[C@@H](NC(=O)NNc1cc(F)ccc1F)c1nnnn1C1CC1	922178351	PTRUDURNEPUGGQ-SSDOTTSWSA-N	323.307	1.674	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc2ccccc2n1C	843646363	PQISKKLHTVGACY-CMPLNLGQSA-N	301.346	1.364	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cc[nH]n1	855359236	KULMMXHFUFFSCT-JGVFFNPUSA-N	304.272	1.539	50	20	DDGD	
CCn1nccc1NC(=O)NNC(=O)Cc1ccccc1OC	757902878	JICUNIOMJFNKBC-UHFFFAOYSA-N	317.349	1.307	50	20	DDGD	
Cc1cc(NNC(=O)Nc2ccc([N+](=O)[O-])cc2F)ncn1	758356785	MYADOOWMPOPGAN-UHFFFAOYSA-N	306.257	1.981	50	20	DDGD	
CCN(CC)C[C@H](C)NC(=O)NNC(=O)c1ccccc1O	921120061	GIDFRWXKXBDPCM-NSHDSACASA-N	308.382	1.067	50	20	DDGD	
CCN(CC(=O)NNc1cccc(C(=O)OC)c1C)C1CC1	855625183	AGVRBSUMBFDSQC-UHFFFAOYSA-N	305.378	1.709	50	20	DDGD	
CC[C@H](C)CC[C@H](O)CC(=O)NNC(=S)N[C@@H](C)C1CC1	855097150	KLHBUXZCGJUIEM-GVXVVHGQSA-N	315.483	1.858	50	20	DDGD	
CCOc1cncc(C=NNC(=O)C(=O)NC(CC)CC)c1	857209086	TVCKNKSJIRQPAB-UHFFFAOYSA-N	306.366	1.235	50	20	DDGD	
Cc1cc(C[C@H](C)NC(=O)NNc2ncc(Cl)cn2)n[nH]1	856879014	GXIAGDOEQALJNL-ZETCQYMHSA-N	309.761	1.419	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2C[C@H]2C(=O)OC)c1C	855625429	QRRFWRKKDHYMJI-WDEREUQCSA-N	306.318	1.034	50	20	DDGD	
Cn1ccc2c(NC(=O)NNC(=O)Cc3cc[nH]n3)cccc21	756316094	LNFQKJVMSBPQIC-UHFFFAOYSA-N	312.333	1.297	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@@H](O)c1ccc(Cl)cc1	855000418	IBGYYLVONMOGBI-VIFPVBQESA-N	310.659	1.473	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@]1(C(=O)OC(C)(C)C)CC1(C)C	854163264	OCYRVUARZSUDPO-CQSZACIVSA-N	300.355	1.522	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NC[C@@]1(C)C[C@H]1Br	857398464	RJDMONYUBOAHTR-BXKDBHETSA-N	321.215	1.755	50	20	DDGD	
Cc1[nH]nc2ncc(C(=O)NNC(=S)N[C@H](C)C3CC3)cc12	855103459	WBNONFFWGVSATH-SSDOTTSWSA-N	318.406	1.174	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1cccc2c1OCCO2	756149898	LZFBUACKXHSORQ-UHFFFAOYSA-N	314.301	1.319	50	20	DDGD	
CO[C@@]1(CNC(=O)NNc2cc(F)cc(Cl)c2)CCOC1	853994500	OYNLUHFNELPHDI-CYBMUJFWSA-N	317.748	1.911	50	20	DDGD	
COc1ccc(C(=O)NNc2cnnn2C)c(OC(C)C)c1	857272650	DUBZIHXMLGJCSX-UHFFFAOYSA-N	305.338	1.368	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)Cn2nccc2C)c1C	858123982	LTCMKTLTEVGZRP-UHFFFAOYSA-N	317.418	1.826	50	20	DDGD	
CC(=O)Nc1ccc(NC(=O)NNC(=O)CC2CC2)cc1C	755635712	PELLAGVUSCDBTD-UHFFFAOYSA-N	304.350	1.906	50	20	DDGD	
CCC1(Cn2cc(C(=O)NCC(Cl)Cl)nn2)COC1	854452488	SZFRJGMFDOOCHU-UHFFFAOYSA-N	307.181	1.238	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)C(C)(C)C)c1cnn(C)c1	853408940	CKHZQDOQNBMCPA-UHFFFAOYSA-N	307.398	1.203	50	20	DDGD	
Cc1nc(C(C)(C)C)sc1C(=O)NNC(=O)c1cc[nH]n1	855359504	UNJUZAVYIGPMLB-UHFFFAOYSA-N	307.379	1.547	50	20	DDGD	
C#CCOc1ccc(NC(=O)NNC(=O)c2cc(C)[nH]n2)cc1	756479949	ROHPCZNMSVCENY-UHFFFAOYSA-N	313.317	1.197	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCc1ccc(OC)c(OC)c1	854929448	IFDAGDCLNYEWCK-UHFFFAOYSA-N	311.407	1.104	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1c[nH]c2cccnc12)C1CC1	855097074	IUNUOPLJSCWOPD-MRVPVSSYSA-N	303.391	1.470	50	20	DDGD	
Cc1cc(C)n([C@@H](C)CC(=O)NNC(=S)N[C@H](C)C2CC2)n1	855102262	IZDKNLPXWYLCSO-NWDGAFQWSA-N	323.466	1.745	50	20	DDGD	
C[C@@H]1C[C@@H]1C(=O)NCCSSCCNC(=O)[C@H]1C[C@H]1C	862276708	ARADBVJQCUQWPC-WYUUTHIRSA-N	316.492	1.912	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2ccc3c(c2)CCCC3)n[nH]1	869013102	MUIZTYLQCRQOHU-UHFFFAOYSA-N	312.373	1.601	50	20	DDGD	
O=C1OCC[C@@H]1NC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	869094912	VGDVBCNLFZGNNI-APOZVJGGSA-N	302.168	1.372	50	20	DDGD	
CC[C@H](C)[C@@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1	862456554	ZGYOVMAZRVKRTE-CORIIIEPSA-N	317.389	1.242	50	20	DDGD	
COC1CCC(CC(=O)NNc2ccnc(N(C)C)n2)CC1	760154024	OBBKMRJUTSBNCP-UHFFFAOYSA-N	307.398	1.581	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21	862151532	SUYLHGRMHIWUPX-RBSFLKMASA-N	315.442	1.868	50	20	DDGD	
O=C(NNC(=O)c1ccncc1F)Nc1ccc2c(c1)OCO2	769224212	BIULJOHOWZFDBI-UHFFFAOYSA-N	318.264	1.416	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNc2cc(C)nc(C)n2)cc1F	765846632	IQIMCGNHXKXJLC-UHFFFAOYSA-N	317.324	1.948	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)Nc1ccnc2ccnn12	934982299	OZFAIKDAURCIDW-UHFFFAOYSA-N	324.213	1.553	50	20	DDGD	
Cc1cc(C)c(C)c(S(=O)(=O)NNC(=O)c2cn[nH]c2)c1C	863413013	AMBXIVBZBCAKTG-UHFFFAOYSA-N	322.390	1.267	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cc(C2CCOCC2)nn1C	861517976	WPEJUCCIFYRQJV-UHFFFAOYSA-N	309.370	1.123	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)n1ccc(C(F)(F)F)n1	864724528	NYXPWBRPLXHMNY-QMMMGPOBSA-N	306.288	1.656	50	20	DDGD	
Cc1ccc(CO[C@H](C)C(=O)NNC(=O)[C@@H]2CCCCO2)cc1	861851914	BGGPIFKKBRBWEW-HIFRSBDPSA-N	320.389	1.617	50	20	DDGD	
COc1ccc([N+](=O)[O-])c(C(=O)NNc2nccnc2OC)c1	764482490	YARKWEOMGBGKGO-UHFFFAOYSA-N	319.277	1.159	50	20	DDGD	
C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2cccc(B(O)O)c2)C1	868314362	SURVTYDTZDCFCY-CXAGYDPISA-N	309.174	1.590	50	20	DDGD	
CC(=O)N[C@H](CC(C)C)C(=O)NNc1cnc2ccccc2n1	860830361	LTDZJRABJWQCBT-CQSZACIVSA-N	315.377	1.624	50	20	DDGD	
O=C(Cc1cccnc1)NN=C1CCN(c2nccs2)CC1	764686708	JZPNDNGXZUVEJK-UHFFFAOYSA-N	315.402	1.853	50	20	DDGD	
O=C(CCC(=O)c1ccc(Cl)cn1)NNc1ncc(F)cn1	769608771	IAQPGIYFQWYKIJ-UHFFFAOYSA-N	323.715	1.770	50	20	DDGD	
Cc1cc(=O)cc(C)n1CCCC(=O)NN[C@H](C)C(F)(F)F	862320435	RQHBQXQKZDRTGL-LLVKDONJSA-N	319.327	1.817	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CC[C@H](C3CC3)C2)cc1	764488574	WOJXWIKGVQSEPN-HNNXBMFYSA-N	301.390	1.488	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NN(C)C(=O)OC	861656137	AIUYMFPINAIGFV-VIFPVBQESA-N	303.359	1.361	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)C1(C(=O)NC2CC2)CCC1	768500951	BBSXGKJCPLLLNG-UHFFFAOYSA-N	313.361	1.455	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@@H]1OC[C@@H]2CCC[C@@H]21	879191655	SKYCSLBHTYVBNZ-ATZCPNFKSA-N	304.375	1.950	50	20	DDGD	
COc1ccc(CNC(=O)CN2CC=C(C#N)CC2)cc1OC	779586202	PGNCSYDCWABHLR-UHFFFAOYSA-N	315.373	1.476	50	20	DDGD	
CC(C)(C)OC(=O)CCCCNC(=O)NNC(=O)C1CCC1	773759749	IYHHTLAYBITPGY-UHFFFAOYSA-N	313.398	1.629	50	20	DDGD	
Cc1cc(NC(=O)NCC(Cl)Cl)ccc1-n1cnnn1	878173463	XLQQLJVLYDKIGY-UHFFFAOYSA-N	315.164	1.896	50	20	DDGD	
C[C@H]1CC[C@H](C(=O)NNC(=O)c2cc(Br)c[nH]2)C1	776338082	FJVYYPJYYLIKCB-YUMQZZPRSA-N	314.183	1.974	50	20	DDGD	
Cc1ncc([C@@H](C)NCC(=O)NNC(=O)c2cccs2)s1	879252654	WZRQVGZTORXSKR-MRVPVSSYSA-N	324.431	1.625	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C(=O)NCC2CC2)cc1C	873763222	RDIVZXSZUOCSHQ-UHFFFAOYSA-N	320.418	1.147	50	20	DDGD	
CCC(=NNC(=O)CO)c1cc(F)cc(Br)c1	776779716	JYAUZVOKMHEUII-UHFFFAOYSA-N	303.131	1.811	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@H]1c1ncccn1	878976960	XZIJRXZDVNCEMZ-OLZOCXBDSA-N	319.409	1.196	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccn(C(F)F)n2)cc1	775642876	JCZYBUCCVGJVAP-UHFFFAOYSA-N	324.287	1.427	50	20	DDGD	
COC(=O)C(=O)NN=C(C)[C@@H](C)c1ccc(OC)c(OC)c1	1116874105	QKEHIIMYNULETG-SECBINFHSA-N	308.334	1.472	50	20	DDGD	
CC(=O)N(C)CC(=O)NNC(=S)Nc1ccc(C)c(C)c1	873765677	WBZLBXGAFYTRGX-UHFFFAOYSA-N	308.407	1.099	50	20	DDGD	
Cc1nc(NC2CC2)sc1C(=O)NNC(=O)c1ccccn1	770946553	CTMFHUWQEXWUQS-UHFFFAOYSA-N	317.374	1.496	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2cnc3ccccc3n2)on1	774769302	KDPHKHUEFLLNET-UHFFFAOYSA-N	313.273	1.161	50	20	DDGD	
C[C@H](C(=O)NNc1ccccn1)S(=O)(=O)c1ccc(F)cc1	777472707	YYNKIOLZRBPBNM-SNVBAGLBSA-N	323.349	1.526	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CC[C@@](O)(c2ccc(F)cc2)C1	776913479	RFQWSJHTMIDWKA-INIZCTEOSA-N	323.368	1.506	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1	773672804	KTHDZZIDCHCRJQ-RBSFLKMASA-N	322.453	1.581	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1	1120664364	SWCZUHZVIFGOFM-QWHCGFSZSA-N	314.332	1.737	50	20	DDGD	
CCCC[C@@H](CC)CNC(=S)NNC(=O)NCC(=O)OC	779722283	ZFRSMCBFBAVOSD-SNVBAGLBSA-N	318.443	1.054	50	20	DDGD	
O=C(CCCOc1ccc2c(c1)OCO2)NN=c1cc[nH]cc1	780756775	CFEMIIUULHDDCV-UHFFFAOYSA-N	315.329	1.535	50	20	DDGD	
O=C(O)[C@H]1CCC(=NNC(=O)N2CCOCC2)c2ccccc21	789001428	YIKCDXKTGHJHGQ-ZDUSSCGKSA-N	317.345	1.395	50	20	DDGD	
CC(C)C(=O)NCCNC(=O)[C@@H](Br)C(C)(C)C	781083445	FSSZTNCXZIKLNF-SECBINFHSA-N	307.232	1.684	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(C#N)cn1)C(C)(C)CN(C)C	888528939	KRRUSPIIYFAEBF-LLVKDONJSA-N	304.398	1.556	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H]1COc2cc(F)cc(F)c21	784574661	GNVXIBQPUXJMIX-JTQLQIEISA-N	313.304	1.775	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)c2ccc(Cl)cc21)C(F)F	782235626	FTDUMSFCAGMHQH-UHFFFAOYSA-N	322.720	1.603	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCOC[C@@H]2CCCO2)cc1O	882047750	VWHSRIFYGKAFIQ-ZDUSSCGKSA-N	322.361	1.047	50	20	DDGD	
Cc1cccc([C@@H]2C[C@H]2C(=O)NNC(=O)C2CCOCC2)c1	883072623	SXCMOKBNZGSSOV-LSDHHAIUSA-N	302.374	1.673	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccc(F)cc2C)c(O)n1	783445026	ZLKVERVBMDPVSU-UHFFFAOYSA-N	318.308	1.625	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2ccnn2CC2CC2)c1	783934409	QSOMCVPNTDYBLR-UHFFFAOYSA-N	314.349	1.078	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1CCc2cc(O)ccc21	780200333	GANNXUOCQPGJCP-GFCCVEGCSA-N	317.389	1.127	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccnc(-c2ccccc2)n1	1120681212	FTEVWUZOYNXYSQ-UHFFFAOYSA-N	313.361	1.888	50	20	DDGD	
CCOc1c(OC)cc(C=NNC(=O)C(F)F)cc1OC	782231527	MCOLBJSCULUUFD-UHFFFAOYSA-N	302.277	1.818	50	20	DDGD	
COC(=O)[C@H]1CCC[C@H](C(=O)NNc2ncncc2Cl)C1	781837282	YAKPWQSZUIGJDQ-IUCAKERBSA-N	312.757	1.553	50	20	DDGD	
Cc1ccc([C@H](C)[C@@H](O)C(=O)NNC(=S)NC(C)(C)C)cc1	899996478	MWEFUWGXCKKZHR-WCQYABFASA-N	323.462	1.753	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(Cn2cccn2)cc1	785845035	UAJMYPRHJFILQZ-UHFFFAOYSA-N	316.365	1.629	50	20	DDGD	
COc1cc(C)ccc1C(=O)NNC(=S)NCC1CCC1	781030165	ZDXVUXMNFRTDLE-UHFFFAOYSA-N	307.419	1.913	50	20	DDGD	
N#CC1=CCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)CC1	780684879	DBEHLGMPHRDCLN-UHFFFAOYSA-N	311.263	1.549	50	20	DDGD	
Cc1cc(NNC(=O)CCc2ccccc2C(N)=O)nc(C)n1	792643713	SFYQJPUFIIUPSL-UHFFFAOYSA-N	313.361	1.268	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNc2ncccc2C)nn1	799232702	NLMHHUOFXBYQML-UHFFFAOYSA-N	302.294	1.115	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1ccc(C#N)o1	794210815	NZRHTZRZMDNERL-UHFFFAOYSA-N	319.704	1.888	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)Nc2ccccc2C)nc1	798311276	MHLVIIFOCCBFPS-UHFFFAOYSA-N	314.345	1.794	50	20	DDGD	
Cc1ccc([C@H](O)[C@@H](C)NS(=O)(=O)CBr)cc1	796105857	ROWBJMDNKZZTDS-MWLCHTKSSA-N	322.224	1.689	50	20	DDGD	
N#Cc1ccc(C[C@H](C#N)C(=O)NNC(=O)c2ccncc2)cc1	792007551	XFHANPVJOYENQX-OAHLLOKOSA-N	319.324	1.097	50	20	DDGD	
Cc1[nH]c2ccccc2c1C(=O)NNC(=O)NCC(F)(F)F	798315790	AZKMRRRJOSGTPL-UHFFFAOYSA-N	314.267	1.983	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NOCC(F)F)cc1	793175157	HKLFWMLGHRCUQC-UHFFFAOYSA-N	317.292	1.155	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2c[nH]nc2-c2ccccc2)n1	794076854	QUYBOYPGFVHACW-UHFFFAOYSA-N	321.340	1.855	50	20	DDGD	
O=C(NN=Cc1c(O)ccc(Cl)c1F)N1CCOCC1	790160157	WYLMYTJTLOFABP-UHFFFAOYSA-N	301.705	1.560	50	20	DDGD	
O=C(NNc1ncccn1)c1ccc2nnc(C(F)F)n2c1	1323817699	NVVLHOLGDWFYBV-UHFFFAOYSA-N	305.248	1.214	50	20	DDGD	
Cc1cc(C=NNC(=O)Cc2nc3ccccc3n2C)ncn1	1327773887	WIAFACPBEARNLK-UHFFFAOYSA-N	308.345	1.365	50	20	DDGD	
C=C[C@H](COC)NC(=O)NNc1ccc(F)c(C(=O)OC)c1	1328204048	MKXPYPPANAOXFI-SECBINFHSA-N	311.313	1.439	50	20	DDGD	
CCN(CC)c1ncc(C=NNC(=O)C2CCOCC2)s1	1331360112	KAEXFQOZXQTPOM-UHFFFAOYSA-N	310.423	1.866	50	20	DDGD	
Cc1noc2ncc(C(=O)NNc3nncc(N)c3Cl)cc12	1333588787	SVMIRKPEDLYXMX-UHFFFAOYSA-N	319.712	1.314	50	20	DDGD	
O=C(C[C@@H]1COC(=O)C1)NNc1cncc(Br)c1	1335934660	NTCQICSIWPSEPI-ZETCQYMHSA-N	314.139	1.240	50	20	DDGD	
C[C@@]1(CNC(=O)N2CCCC[C@H]2CN)C[C@H]1Br	1332550978	MUOKMZLTTJKZLF-UMNHJUIQSA-N	304.232	1.683	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNc1ccc(C(F)(F)F)nn1	1337149117	XCNZMFZXNLCREI-JGVFFNPUSA-N	304.272	1.754	50	20	DDGD	
CCC1(CNC(=O)C(=O)NC[C@@]2(C)C[C@H]2Br)CC1	1261766578	KSFVWLVKWWSWOT-BXKDBHETSA-N	317.227	1.583	50	20	DDGD	
COc1ccc(OC)c(C(=O)NNC(=O)c2ccccc2O)c1	17574668	RXKGYYBCFAWVED-UHFFFAOYSA-N	316.313	1.484	50	20	DDGD	
CS(=O)(=O)CC1(CNC(=O)C2CCC(Cl)CC2)CC1	1346614524	SNIHVGOJDRRARR-UHFFFAOYSA-N	307.843	1.725	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](C(=O)NNC(=S)Nc2cccc(C)c2)C1	1356586912	ZGKYWXYDQPWOIE-PHIMTYICSA-N	321.402	1.512	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1c[nH]c2cc(F)c(F)cc2c1=O	1351293574	FCLIFDYYFJSJHN-UHFFFAOYSA-N	323.299	1.613	50	20	DDGD	
CC1(C)[C@@H]2CC[C@@]1(C(=O)NNC(=O)OCC(F)(F)F)C(=O)C2	1350090433	AHVFMMFWTOATFY-KRTXAFLBSA-N	322.283	1.702	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@]23CCC[C@H]2OCC3)cc1F	1602383695	XWXKHDWFLKUQSE-DOMZBBRYSA-N	308.309	1.926	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@H]1CCC(=O)[C@@H](C)C1	1607140766	ZJLQJVAHQPUFHL-VHSXEESVSA-N	320.345	1.842	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cccc(CC(=O)O)c1	1602674719	BDLHPSFHDOMDJB-UHFFFAOYSA-N	303.318	1.270	50	20	DDGD	
Cc1c(NNC(=O)COc2ccsn2)cccc1C(=O)O	1607553690	YRAUKBNVECWBCL-UHFFFAOYSA-N	307.331	1.672	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1cc(O)nc(C2CC2)n1	1608482907	OMQGFTNHHIPPFB-UHFFFAOYSA-N	314.301	1.515	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1CC2)C1CCCC1	1608479115	MVCCUFGMDXAROD-DJIHRAIXSA-N	306.362	1.237	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)c(F)c1)c1ccc2nncn2c1	1601557619	YLDWBYYYPZDYJB-UHFFFAOYSA-N	315.264	1.324	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@H](C(=O)O)C(C)(C)C	1605355581	GLPFFWMMZFHJRK-CYBMUJFWSA-N	306.362	1.432	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1ccnc(C(=O)O)c1	1601559235	OPPYXJBGFWFCLC-UHFFFAOYSA-N	324.296	1.378	50	20	DDGD	
Cc1c(NNC(=O)NCc2ccccn2)cccc1C(=O)O	1600053430	DZNBCBGTLSZZAH-UHFFFAOYSA-N	300.318	1.915	50	20	DDGD	
CCn1c(C)cc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)c1C	1549317516	LUWRNZXATFLTNQ-HZPDHXFCSA-N	318.421	1.438	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(C(=O)O)ccc2Cl)n[nH]1	1610436753	NBEPRUGWHUQLJD-UHFFFAOYSA-N	322.708	1.145	50	20	DDGD	
CO[C@@H]1CCCCN(CC(=O)N(C)CC(Cl)Cl)C1=O	1552209643	UBSBCQKHSSJOIU-SECBINFHSA-N	311.209	1.276	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)CN2CCC(N)CC2)cc1	1575276023	XOURETXIYAFQCV-UHFFFAOYSA-N	304.438	1.850	50	20	DDGD	
Cc1cccc2c1C[C@@H](C(=O)NCCSS(C)(=O)=O)N2	1579775208	ABVHXWCSIRGZSN-LBPRGKRZSA-N	314.432	1.141	50	20	DDGD	
C/C(=C\C(=O)NNc1ccc(C(=O)O)cc1F)c1cnccn1	1588942610	NWBGTQZOMQXRSC-RMKNXTFCSA-N	316.292	1.861	50	20	DDGD	
C[C@@H](C(=O)O)n1cccc1C=NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	1589540287	UCYWZZNTGKSCEM-WKSBVSIWSA-N	305.334	1.151	50	20	DDGD	
Br[C@H]1[C@@H]2CN(c3cccnc3-c3nn[nH]n3)C[C@H]12	1588316850	WOURUFYXXIYWFA-QMSLJYSESA-N	307.155	1.091	50	20	DDGD	
CCCN1C[C@H](C(=O)NNc2ccc(C)c(C(=O)O)c2)CC1=O	1595895107	AYRXXIZZFGLSCI-LLVKDONJSA-N	319.361	1.395	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H]1CC[C@H](C(=O)O)CC1	1599001383	BIRAHSYLAKMOJT-XYPYZODXSA-N	320.345	1.807	50	20	DDGD	
COc1cccc(C(=O)NNc2ccc(C(=O)O)cc2F)n1	1599642425	LXQXKOKBTDWMFH-UHFFFAOYSA-N	305.265	1.684	50	20	DDGD	
C[C@H](Cn1cccn1)NC(=O)NNc1ccc(C(=O)O)cc1F	1592926768	YRVRABBOXCIJFJ-SECBINFHSA-N	321.312	1.435	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNc2ccc(F)c(C(=O)O)c2)C1	1594696224	SYIKNENLPRIWNY-VIFPVBQESA-N	323.324	1.226	50	20	DDGD	
C[C@@H](CBr)COC(=O)c1cc(C(=O)O)ccn1	1592210677	FSKVFYAFIHLKBC-ZETCQYMHSA-N	302.124	1.968	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)c1ccc(-c2nn[nH]n2)o1	1593161431	UTVOQWHRSIBAQM-UHFFFAOYSA-N	324.222	1.634	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl)[C@@H]1C[C@@H]1F	1796803279	VPGWELWMPHDWJK-FKSVDQQFSA-N	306.740	1.517	50	20	DDGD	
CC(C)NC(=O)CCNC(=O)NNc1ncnc2ccsc12	162110381	PWIKHHLDGSERTM-UHFFFAOYSA-N	322.394	1.232	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Nc2ccnn2CC2CC2)c1	160048559	XDLNPVAQVSWEAQ-UHFFFAOYSA-N	324.344	1.631	50	20	DDGD	
CC(=O)N1c2ccccc2C[C@H]1C(=O)NNc1ccc(C#N)cc1	155222958	XVZYSPQACSAKJJ-KRWDZBQOSA-N	320.352	1.979	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)Nc2cc(F)ccc2C)n1	156255162	IYHZXMBWTMQNMR-UHFFFAOYSA-N	317.324	1.623	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc([N+](=O)[O-])cc1)N1CCSCC1	154140568	QOELQDHDXOITHF-JTQLQIEISA-N	310.379	1.475	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)o1	154706390	ZEYDZQWJVYUODN-AEGPPILISA-N	311.341	1.870	50	20	DDGD	
COC[C@@]1(C(=O)O)CCN(C(=O)NCCSSC)C1	397839635	GBMFDSVAAHJRSV-LLVKDONJSA-N	308.425	1.130	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=S)NCCc1ccccn1	101805517	QOGQFRVZGNNPTJ-UHFFFAOYSA-N	314.414	1.742	50	20	DDGD	
COc1ccc(OC)c(C(=O)NNC(=S)NC(C)(C)C)c1	8302274	MRETZMHLLSBWHJ-UHFFFAOYSA-N	311.407	1.611	50	20	DDGD	
CCSc1ccc(C(=O)NNC(=O)Cc2cccnc2)cn1	103423045	ZDEKJPHIXFNBLZ-UHFFFAOYSA-N	316.386	1.592	50	20	DDGD	
COCc1cc(CNC(=O)NNC(=O)c2ccc[nH]2)ccc1F	107853511	UXGIBQCTCUMLON-UHFFFAOYSA-N	320.324	1.444	50	20	DDGD	
O=C(COC[C@H]1CCCO1)NNc1ccnc2ccccc12	106923360	GGAXAHJOYFXKNS-GFCCVEGCSA-N	301.346	1.874	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)CCc1ccccc1O	104637946	WJTYWWWFEAISBL-UHFFFAOYSA-N	305.359	1.551	50	20	DDGD	
NC(=O)[C@H](NNC(=O)c1cc2c(s1)CCC2)c1ccccc1	26223834	BWOIHGRZILGEQF-CQSZACIVSA-N	315.398	1.698	50	20	DDGD	
O=C(Cc1csc(-c2ccccn2)n1)NNC(=O)NC1CC1	64429132	MLQSEABWLBPSKU-UHFFFAOYSA-N	317.374	1.240	50	20	DDGD	
O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1F)c1cccnc1	54126145	PAUVSOKJWYXLFI-UHFFFAOYSA-N	304.237	1.204	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2sc(C)cc2OC)n1	174482845	MYQPFZZKJPLWSX-UHFFFAOYSA-N	308.363	1.929	50	20	DDGD	
COCCCNC(=O)NNC(=S)N[C@@H](C)c1ccccc1	64937317	DMXFGRAGEZSGQM-NSHDSACASA-N	310.423	1.462	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2c(C)nn(CCCl)c2C)n1	114165456	KEBHNPDRIMRLTL-UHFFFAOYSA-N	322.800	1.902	50	20	DDGD	
CSc1ccc(C(=O)NNC(=O)Cn2nc(C)cc2C)o1	112268683	LOPHQYCKZPYMTG-UHFFFAOYSA-N	308.363	1.276	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(-c2cccs2)on1	65205988	LARLCPTZKUNHGZ-UHFFFAOYSA-N	324.362	1.384	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCC(=O)N1CCCCC1	171459331	IQYIJAAQLBMFBR-UHFFFAOYSA-N	312.414	1.156	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H](CC)SC	127485647	HLZHITOQZFLFSB-ZDUSSCGKSA-N	310.419	1.917	50	20	DDGD	
CC(=O)N1CCC(NC(=O)NNc2ncccc2Cl)CC1	120932006	MSNFAFXVYGNEFG-UHFFFAOYSA-N	311.773	1.372	50	20	DDGD	
COC(C)(C)C[C@@H](C)NC(=O)NNc1nc2ccccn2n1	189302578	HNCKRVOEDQVGAY-SNVBAGLBSA-N	306.370	1.559	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2ccccn2)nn1-c1ccccc1	181230456	LIZOKACXSVUJCU-UHFFFAOYSA-N	322.328	1.123	50	20	DDGD	
Cn1c(NNC(=O)c2cccc(C#N)c2)nc2ccccc2c1=O	70919789	UMLDAKGVYWBFCT-UHFFFAOYSA-N	319.324	1.562	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccccc1)c1c[nH]c2ccccc12	72814652	VBDUVHFWGJCEBF-OAHLLOKOSA-N	309.325	1.663	50	20	DDGD	
CCCCn1cc(C(=O)NNC(=O)NCC(F)(F)F)c(C)n1	184813518	VLTOZMGHDXHVDF-UHFFFAOYSA-N	321.303	1.498	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2ccnc(C)c2)cc1	183434315	IKJWLZLTFFPKLF-UHFFFAOYSA-N	314.345	1.930	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)COc2cccc(C)c2)cn1	180616417	MAPYUJFKYBBTPO-UHFFFAOYSA-N	316.361	1.442	50	20	DDGD	
Cc1cccc(NNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c1	78305528	FHLXFVXCPAHLJI-MRXNPFEDSA-N	316.361	1.159	50	20	DDGD	
CSC[C@H](C)NC(=O)NNC(=O)c1c[nH]c2ccccc12	133466640	STQUOWMHCLGDCJ-VIFPVBQESA-N	306.391	1.863	50	20	DDGD	
CCC1(CC)NC(=O)N(CC(=O)NNc2ccc(F)cc2)C1=O	45970685	CKYXBQFRNJLUMA-UHFFFAOYSA-N	322.340	1.379	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCN(C)c2ccccc2)o1	84414781	HUQKIFCPUNBRNP-UHFFFAOYSA-N	316.361	1.668	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2cccc(F)c2)n1	131645341	FCTYAXGQQAVDAT-UHFFFAOYSA-N	305.313	1.492	50	20	DDGD	
COc1nccnc1NNC(=O)CCn1ccc2ccccc21	132130854	FCCBEQFHNZURSA-UHFFFAOYSA-N	311.345	1.973	50	20	DDGD	
Cc1nc(CC(=O)NNC(=O)c2ccc(Cl)nc2)cs1	42522423	JIXIOIIMBHZOKL-UHFFFAOYSA-N	310.766	1.504	50	20	DDGD	
COC(=O)CC1(NC[C@H](C)CBr)CCOCC1	134020495	ULMGMUQKUVUTQL-SNVBAGLBSA-N	308.216	1.719	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)cc1	43931555	NCJAGMCBGKSCQD-LLVKDONJSA-N	321.377	1.669	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)NCCC(C)C)cc1	42905931	PVBJYPQIPPLJGA-UHFFFAOYSA-N	309.366	1.451	50	20	DDGD	
Cc1csc(CNC(=O)NNc2nc3ccccn3n2)n1	190689266	JHGGWWNGKWEALK-UHFFFAOYSA-N	303.351	1.321	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cc(F)ccc2C)ncn1	190139688	BEGXSJWSFSSYMU-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
Cc1cc(C)n2nc(C)c(C(=O)NNC(=O)c3ccc[nH]3)c2n1	97464503	LXWXLXGECYQUDO-UHFFFAOYSA-N	312.333	1.057	50	20	DDGD	
Cc1ccc(C(=O)NN=c2sc3ccccc3n2C)c(O)n1	255362088	CUYRNCBSEWTQTR-UHFFFAOYSA-N	314.370	1.895	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1ccccc1[N+](=O)[O-]	269707520	OYYNYVAVMDYYRD-UHFFFAOYSA-N	310.310	1.564	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCOC3(CCC3)C2)o1	269348550	QZOSIOWDEOWVEN-LLVKDONJSA-N	307.350	1.634	50	20	DDGD	
Cc1nc(C(C)(C)C)nc(O)c1C(=O)NNC(=O)NC(C)C	267052323	WCDYIEXCKBNAFW-UHFFFAOYSA-N	309.370	1.141	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNC(=O)Cc2cccnc2)no1	266017444	JNPKHMWTMZEHLO-UHFFFAOYSA-N	302.334	1.371	50	20	DDGD	
C[C@@H](C(=O)NNc1nccn(C)c1=O)c1ccc(Cl)s1	267546013	WQKXIFAOFWGPAV-SSDOTTSWSA-N	312.782	1.742	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNc1nc(-c2cccnc2)no1	272504451	JIGLJKOIJTWRCF-SNVBAGLBSA-N	305.338	1.637	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC2(OC)CCC2)c1	272569094	HRRJZPFHTAEGGP-UHFFFAOYSA-N	307.350	1.668	50	20	DDGD	
C#CCOc1cc(F)ccc1NC(=O)NN(C)C(=O)NCC	274333584	DIQBHIQPOLZOST-UHFFFAOYSA-N	308.313	1.536	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)nc1	276032084	WGGQTHDBONSFJD-ZWNOBZJWSA-N	305.382	1.199	50	20	DDGD	
Nc1nnc(CNC(=O)CCCC[C@H]2CCSS2)o1	276708219	ZEPLJYWFBXGWIW-QMMMGPOBSA-N	302.425	1.982	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNC(=O)NC2CC2)cc1OC	272916196	NDEHYYWMFATVSO-SNVBAGLBSA-N	321.377	1.375	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)CN(C)C)c1c[nH]c2ccccc12	278470793	CXCRULQOVZCUTR-NSHDSACASA-N	302.378	1.371	50	20	DDGD	
CC1CCN(C(=O)C(=O)NNc2ccc(C#N)c(Cl)c2)CC1	278415852	MOPGYWCJPQDVDR-UHFFFAOYSA-N	320.780	1.913	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@H](O)CCc1ccccc1	273595839	QXUDDSVIOZFZJX-CYBMUJFWSA-N	307.394	1.357	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)c1ccc(Cl)nc1	279928590	NGMSKSJHXLYIEI-DTWKUNHWSA-N	309.753	1.501	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)n2nnnc2C(C)(C)C)nc(C)n1	273418474	OHNSGIXCGOUJQE-VIFPVBQESA-N	318.385	1.082	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1cc(Cl)c(OC)cc1C	278640793	IVUOPUKZDARULK-UHFFFAOYSA-N	308.743	1.206	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)[C@H]1C[C@]12CCOC2	373420946	FAMNNDSMZZUBOJ-BMIGLBTASA-N	300.318	1.205	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2cnc3n2CCCC3)nn1	375109257	AZDCFRIZDOAGMF-UHFFFAOYSA-N	301.354	1.144	50	20	DDGD	
Cc1cc(CNC(=O)c2c(C)nn(CCCl)c2C)n(C)n1	283862219	BQSASHKDYMYCFI-UHFFFAOYSA-N	309.801	1.711	50	20	DDGD	
O=C(CCCc1ccccc1Cl)NNC(=O)C(=O)NC1CC1	289417515	VUCICIIMPXCMPP-UHFFFAOYSA-N	323.780	1.089	50	20	DDGD	
O=C(NNc1ncccc1F)Nc1cnn(C[C@@H]2CCCO2)c1	376818825	KNMRPHXJFRUUJH-NSHDSACASA-N	320.328	1.745	50	20	DDGD	
COC1(C(=O)N/N=c2/sc3ccccc3n2C)CCOCC1	284451801	IFRUDDJEDRXCFM-SAPNQHFASA-N	321.402	1.367	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)NCC(F)(F)F)c1	280904148	FAZXGXHKWHVEBW-UHFFFAOYSA-N	320.227	1.410	50	20	DDGD	
Cc1c(C(=O)NNC(=O)N=c2cc[nH]cc2)cnn1CC(C)C	802025249	XXCKLCBCGKEPCX-UHFFFAOYSA-N	316.365	1.131	50	20	DDGD	
CO[C@H](C)c1nsc(NC(=O)NNC(=O)c2ccccn2)n1	809925614	ODFBMQFLCFVAQH-SSDOTTSWSA-N	322.350	1.107	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccncc2C)cc1	801107433	XNENHMQNIIKSLF-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2ccccc2C)ccn1	806998601	MEBNJRQUIWDYQO-UHFFFAOYSA-N	300.318	1.480	50	20	DDGD	
CCCn1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2C)nn1	805386733	JSUQACQRRMACRH-UHFFFAOYSA-N	304.310	1.662	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NNc1ccncn1	296097128	HVPDMDAIPRYSLA-JTQLQIEISA-N	307.354	1.319	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2nc3cccnc3s2)n1	801297953	UKSSEJHRSXJFGG-UHFFFAOYSA-N	313.342	1.470	50	20	DDGD	
CCOC(=O)C[C@@H](C)CNC(=O)NNc1ncc(F)cc1F	297291104	LSPNWGXFXWHSAC-MRVPVSSYSA-N	316.308	1.575	50	20	DDGD	
CC1(C)COc2ccc(C(=O)NNC(=O)c3cccnc3)cc21	809957492	ZKGXXRAEMPKNAI-UHFFFAOYSA-N	311.341	1.826	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cccc(F)n2)cc1	802059209	FBMZEJSLBXCQAD-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
COCCN(C)NC(=O)CNC(=O)Nc1cccc(Cl)c1	297061804	KXDAWGHYVFMGJP-UHFFFAOYSA-N	314.773	1.071	50	20	DDGD	
Cc1ccccc1[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCCCO1	297315427	GGQAUMDILMIMJL-OCCSQVGLSA-N	305.378	1.956	50	20	DDGD	
CC[C@H](C)[C@@H](C)NC(=O)NNC(=O)[C@H]1COc2ccccc2O1	299167064	NFTGKAAKOMRVAX-MISXGVKJSA-N	321.377	1.591	50	20	DDGD	
O=C(NCc1nccc(C(F)F)n1)NNC(=O)c1ccccc1	807610477	WXVJJLIEWVFSNH-UHFFFAOYSA-N	321.287	1.558	50	20	DDGD	
Cc1nn(C)c(N)c1C=NNC(=O)c1cn(C)c2ccccc12	814777034	KIUBDCJCAHCDDY-UHFFFAOYSA-N	310.361	1.566	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)O)CCC1=NNC(=O)C(=O)Nc1ccccn1	814869114	CLXRWKVMGWTOOY-UWVGGRQHSA-N	318.333	1.013	50	20	DDGD	
Cc1ccc(-c2n[nH]cc2C=NNC(=O)C(=O)NC(C)C)cc1	812451412	GZOKVYUQLPXQAB-UHFFFAOYSA-N	313.361	1.360	50	20	DDGD	
Cc1c(C(=O)NN(C)C2CC2)nnn1-c1cccc2ncccc12	819647135	KCQTYDSBVYCOTC-UHFFFAOYSA-N	322.372	1.863	50	20	DDGD	
COc1cc(C(C)=NNC(=O)c2cncc(NC(C)=O)c2)on1	814883383	LZFKFQNTCRZYJS-UHFFFAOYSA-N	317.305	1.191	50	20	DDGD	
CCCNC(=O)NN=C(C)c1cccc(O[C@H](C)C(=O)O)c1	814818906	ONMVRNBZZZMFOC-LLVKDONJSA-N	307.350	1.972	50	20	DDGD	
COCCOc1cccc(C=NNC(=O)N=c2cc[nH]cc2)c1	815004008	SWPUEGJDCMHMJC-UHFFFAOYSA-N	314.345	1.684	50	20	DDGD	
COCC1(CNC(=O)NN(C)c2ccccc2)CCOCC1	814344670	YDDQJOPTZCELGY-UHFFFAOYSA-N	307.394	1.780	50	20	DDGD	
CCc1nocc1C=NNC(=O)Cc1nc2ccccc2n1C	814737721	KKBCTSWXXNIZEG-UHFFFAOYSA-N	311.345	1.817	50	20	DDGD	
N#C[C@@H]1CCCC(=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)C1	814753534	YWUZKVXOWQUUMQ-SECBINFHSA-N	301.306	1.977	50	20	DDGD	
O=C(CSc1nc2ccccc2o1)NNc1ncncc1F	817066931	DEHFQORGNUREEP-UHFFFAOYSA-N	319.321	1.992	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccccc1OC(F)F	818295925	PJYGHBZOUXNPBR-UHFFFAOYSA-N	301.318	1.583	50	20	DDGD	
CNC(=O)NNC(=O)[C@H](C)c1cccc(Br)c1	812533992	GTGAMSDGDLAGDI-SSDOTTSWSA-N	300.156	1.513	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1csc(-c2ccccn2)n1	819131371	CRCVWWOAGWSTAY-UHFFFAOYSA-N	302.359	1.766	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)c1cccc2cccnc12)C1CCC1	813430209	NOSRTCOBBMDWRF-KRWDZBQOSA-N	313.357	1.547	50	20	DDGD	
C[C@H]1C[C@H](C(=O)O)CCC1=NNC(=O)CNC(=O)c1ccco1	814826966	OQEKGZLDKZDACB-VHSXEESVSA-N	321.333	1.002	50	20	DDGD	
O=Cc1c[nH]c(C(=O)NNC(=O)c2ccc(Cl)cc2F)c1	815747180	MHDJIIDNQZQZPQ-UHFFFAOYSA-N	309.684	1.695	50	20	DDGD	
Cn1ncc(C=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)c1Cl	814753426	WEQANKKJWIEDNF-UHFFFAOYSA-N	322.712	1.328	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)Cc2cc[nH]n2)[C@H](n2cncn2)C1	814953676	LVSDUWBRZHZEAO-GXFFZTMASA-N	301.354	1.077	50	20	DDGD	
CCOc1ccc(NNC(=O)CCSc2nnnn2C)cc1	817879501	KOXHJLKRABJMNC-UHFFFAOYSA-N	322.394	1.234	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H]2CNOC2)c1C	819748932	KOLJOBGBMVTWAP-LULHVWEPSA-N	319.361	1.105	50	20	DDGD	
O=C(NNc1ncncc1F)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	817080825	GDGMLQGTOKALEA-HXFLIBJXSA-N	320.246	1.415	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1c(F)cc(C)cc1F	819878804	HHGDRFHSACJKSZ-UHFFFAOYSA-N	307.322	1.128	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1ccc2c(c1)OCCO2	814954675	MQKWZSAWTKIJIZ-UHFFFAOYSA-N	300.318	1.264	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c(C)n1	826281586	AKYIHKDZHJDLMY-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@@H]1CCc2cc(F)ccc21	823793063	JQWKILKCRQPOHP-CQSZACIVSA-N	317.320	1.979	50	20	DDGD	
CN1CC[C@](Cc2ccccc2)(C(=O)NN=c2cc[nH]cc2)C1=O	821788643	WUGPTOOKGNSEEA-SFHVURJKSA-N	324.384	1.038	50	20	DDGD	
CN(C)c1nc(Cl)c(C(=O)NNC(=O)NCC2CC2)s1	822786857	YJZKDXJVXSRQCZ-UHFFFAOYSA-N	317.802	1.217	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)CNC(=O)OC(C)(C)C)cn1	494625035	NXLJFLGRKODNHD-UHFFFAOYSA-N	309.370	1.439	50	20	DDGD	
C=CC(C)(C)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1	822999896	QYWYIJAIWUBCPA-UHFFFAOYSA-N	323.418	1.783	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(F)c(C(=O)NN(C)[C@@H](C)CO)c1F	823922292	JPWMNPHZKQOEIN-ZETCQYMHSA-N	303.265	1.139	50	20	DDGD	
COc1cc(C(=O)NN(C)[C@@H](C)CO)sc1Br	823940548	ZBIOYAMYASRZJV-LURJTMIESA-N	323.212	1.477	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNc1cccc(Cl)n1	496475280	SIQJQQBWUYUZNA-KWQFWETISA-N	314.773	1.949	50	20	DDGD	
OB(O)[C@H]1CCN(Cc2cc(Cl)ccc2OC(F)F)C1	585077389	UHZASHYCVCXAOD-VIFPVBQESA-N	305.517	1.990	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)NC1CCCCC1	490851051	GPVNKLYZLVHDHX-UHFFFAOYSA-N	314.386	1.174	50	20	DDGD	
COc1ncc(/C=C/C(=O)NNc2ccc([N+](=O)[O-])cc2)cn1	492642386	AOMTZNMRTFXLSR-FARCUNLSSA-N	315.289	1.550	50	20	DDGD	
OB(O)c1cccc(CNC[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)c1	585027979	CFIABXYKVCYIHQ-QRVBRYPASA-N	307.202	1.432	50	20	DDGD	
CCC(=O)N1CC[C@H](NC(=O)[C@@]2(C)C[C@H]2Br)C1	907016681	AEJNXHDNICWBEE-SBMIAAHKSA-N	303.200	1.287	50	20	DDGD	
COc1ccc(-n2nc(C(=O)NN(C)C[C@H](C)O)cc2C)cc1	824695207	QRMONYUWFVFICC-LBPRGKRZSA-N	318.377	1.147	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(N2C[C@H](C)O[C@@H](C)C2)ccn1	496392840	OOUXMFWRWDXJKL-QWRGUYRKSA-N	322.365	1.038	50	20	DDGD	
C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)c2ccc(B(O)O)cc2)C1	584988417	MZAYTAUJOYZQAQ-RDTXWAMCSA-N	323.201	1.980	50	20	DDGD	
C[C@H](CNC(=O)[C@@]1(C)C[C@@H]1Br)c1nncn1C	907640922	PJMKKRQUDFZOPV-FYBVGQRMSA-N	301.188	1.208	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@]2(C)CCCCO2)cc1	837604243	MYARIAKZHPRBDN-OAHLLOKOSA-N	307.350	1.807	50	20	DDGD	
CC[C@H](C(=O)NNc1ccc(C(=O)O)cc1OC)N(CC)CC	833636513	VAMWGIHVTNUSCO-CYBMUJFWSA-N	323.393	1.957	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@]2(C)C[C@H]2Br)CCS(=O)(=O)C1	907752731	IMPLMWHCIIEERA-FXPVBKGRSA-N	324.240	1.053	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)C1CCC1	837340266	JWBPWOQMMQEVNQ-SNVBAGLBSA-N	324.402	1.287	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)COCC2CCCC2)c1	836236040	RVEFYMMARSQTMQ-UHFFFAOYSA-N	319.405	1.720	50	20	DDGD	
C[C@H]1CCC[C@]1(C)C(=O)OCC(=O)NNC(=O)c1cccs1	837933640	WROWJZXSPINKJA-BONVTDFDSA-N	324.402	1.879	50	20	DDGD	
Cc1cc([C@H]2CCCN2[C@@H](C)C(=O)NNC(=O)CC(C)C)on1	732197054	BJGJHZMSQLUKOX-QWHCGFSZSA-N	322.409	1.702	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NNC(=O)Cc1ccc(Cl)cc1	730965283	AHVPXHPWDPJVPD-LUAWRHEFSA-N	307.737	1.474	50	20	DDGD	
CCOC(=O)[C@@H](CC(=O)NNc1cccc(F)c1F)C(C)=O	830831908	YKVLJMNOYKRMDW-VIFPVBQESA-N	314.288	1.566	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)c(F)c1	833243408	SFMGNZZNDGGWQI-CYBMUJFWSA-N	308.309	1.358	50	20	DDGD	
O=C(C[S@](=O)c1ccc(Cl)cc1)NNC(=O)C1CCC1	900657567	AALBVGKWVSLAEH-FQEVSTJZSA-N	314.794	1.395	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)c(F)c1	909546082	SWQUYWQTFSGUMD-AQUOVQTQSA-N	306.293	1.281	50	20	DDGD	
C[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]2CCCC[C@@H]21	584928244	GPWCPXVZQLBIEP-WQVCFCJDSA-N	301.195	1.407	50	20	DDGD	
O=C(O)NNS(=O)(=O)/C=C/c1ccccc1Br	738661516	LZVXTCYOXWSABE-AATRIKPKSA-N	321.152	1.522	50	20	DDGD	
CCC(C)(C)OCC(=O)NNc1ccc(S(C)(=O)=O)cc1	837486643	BRLNHXFPSILDNU-UHFFFAOYSA-N	314.407	1.738	50	20	DDGD	
COc1ccc(C=NNC(=O)NCC2CC2)c(OCC(=O)O)c1	734365165	CUGZXLLGHDVSLX-UHFFFAOYSA-N	321.333	1.202	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNC(=O)C2CCC2)ccc1[N+](=O)[O-]	839681951	WRYCMTIPBCIJGW-UHFFFAOYSA-N	321.333	1.943	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)N[C@@H]2C[C@H]2C(C)C)c1	838760911	HZEHNCVKAMMJIE-UONOGXRCSA-N	321.377	1.692	50	20	DDGD	
COc1cc(OC)c(C(=O)NNC(=O)C2CCCC2)cc1OC	914845209	VYHHTHZAHGOHPS-UHFFFAOYSA-N	322.361	1.664	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)Cc1ccc(OC)cc1C	910002660	ZNOZCFOVHZDRAS-NSHDSACASA-N	322.361	1.035	50	20	DDGD	
Cc1nccc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)n1	917390691	XKPOVWJNRXRGDB-SECBINFHSA-N	318.308	1.153	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H]2CC[C@H](C(N)=O)C2)cccc1[N+](=O)[O-]	838729605	WUGDLXKMBQBRBO-VHSXEESVSA-N	321.337	1.183	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)[C@H]2CCCCO2)CCCS1	836357982	MXNRKSVAJTZWFR-ZWNOBZJWSA-N	301.412	1.172	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CS(=O)(=O)C1CCCC1	916146443	IBIPBUAGGZRNGH-UHFFFAOYSA-N	324.402	1.113	50	20	DDGD	
CCCO[C@@H]1CCCN(CC(=O)NNC(=O)C(C)(C)C)CC1	744398348	OYDYCRWNYXIKFB-CYBMUJFWSA-N	313.442	1.461	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)CNc1ccc(OC)cc1	749757490	NJVHMSOXOTZONZ-JTQLQIEISA-N	310.423	1.401	50	20	DDGD	
COc1c(C(=O)NNc2cccc([N+](=O)[O-])c2C)c(C)nn1C	748669978	ARKPNDJMLSKTAS-UHFFFAOYSA-N	319.321	1.711	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)NOC1CCCC1	847347226	CJDVRLAIUFGBMZ-UHFFFAOYSA-N	316.159	1.739	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)Nc1ccc(Cl)cc1)C(=O)O	848584060	MVZYAXOZTFSPSR-SSDOTTSWSA-N	314.729	1.396	50	20	DDGD	
O=C(C[C@H]1CCc2ccccc21)NNc1ncnc2[nH]cnc12	743473243	MDWBCVYKTWWNBS-LLVKDONJSA-N	308.345	1.916	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cc1nsc2ccccc12	843662568	UDBHBRCMLXVHIH-NXEZZACHSA-N	319.386	1.411	50	20	DDGD	
CCn1cc(CC(=O)NNC(=O)c2ccc[nH]2)c2ccccc21	748211400	MURMVVMYDLTBBH-UHFFFAOYSA-N	310.357	1.993	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	841011951	XCRUWTUNWJUWHU-UHFFFAOYSA-N	315.717	1.140	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)CCC2CCCCCC2)CC1	848374981	KPGSZKUMFQYWHW-UHFFFAOYSA-N	310.442	1.725	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)N[C@@H]1COCc2ccccc21	842187602	BKILHSBAXPAKQQ-ZIAGYGMSSA-N	319.361	1.157	50	20	DDGD	
N#C/C=C\COc1ccc(S(=O)(=O)N2CCOCC2)cc1	840071306	AUFZDDIASCYWGE-UPHRSURJSA-N	308.359	1.166	50	20	DDGD	
Cc1cc(C)cc(N2CC[C@@H](C(=O)NN(C)C[C@@H](C)O)C2=O)c1	910167473	GMOUBHAOXSDDPZ-HIFRSBDPSA-N	319.405	1.000	50	20	DDGD	
CCn1cccc(NC(=O)NNc2nc(C)cc(C)n2)c1=O	841733395	VQGSAYRGFUTYAI-UHFFFAOYSA-N	302.338	1.424	50	20	DDGD	
O=C(NCCC[C@H]1CCCN1)NNC(=O)c1ccc(Cl)cc1	842007222	WZJHYQNMWLZHTE-CYBMUJFWSA-N	324.812	1.816	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NN=C2CCO[C@@H]2C)n[nH]1	747766593	UNCSIWRWDVUERC-SNVBAGLBSA-N	314.345	1.980	50	20	DDGD	
Cc1cc(C(=O)NN(C)C[C@@H](C)O)c(C)n1-c1nccs1	910174514	USWOXEQHAFUNHH-SNVBAGLBSA-N	308.407	1.508	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=S)NCC(C)C)cc1C	916114078	JVQULQLNAUUVEA-UHFFFAOYSA-N	309.435	1.834	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1ccc(O[C@H]2CCOC2)cc1	849248571	VETJMESOYSDSAS-AHSSXEFNSA-N	322.386	1.610	50	20	DDGD	
CN(C)CCNC(=S)NNC(=O)c1cc2ccccc2o1	749831731	HATHXTUYTYPAJF-UHFFFAOYSA-N	306.391	1.103	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@H]1CC12CCOCC2	748527602	XVQHAGHDLOIDSM-CYBMUJFWSA-N	322.792	1.847	50	20	DDGD	
CO[C@H](C=NNC(=O)COc1cc(C)cc(C)c1)[C@@H]1CCOC1	841606774	LGBPPZOHAKOCES-GDBMZVCRSA-N	320.389	1.836	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2CCc3cnc(C)n3C2)n1	845697902	NDIKIHOUJQXOAV-NSHDSACASA-N	316.365	1.004	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)[C@@H]1CCC(=O)N1	748744340	PMRIOTMKZOLZBX-JTQLQIEISA-N	312.167	1.479	50	20	DDGD	
C[C@H]1CC[C@H](C(=O)NNc2ccccc2S(N)(=O)=O)CC1	846644041	WRFTUHKEMJBTAK-XYPYZODXSA-N	311.407	1.603	50	20	DDGD	
Cc1cccc(OCCCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	843644902	GXIULMBWRZIVFN-HIFRSBDPSA-N	320.389	1.726	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](O)[C@H](C)c1ccc(C)cc1	840572610	VHPRXYOSJFPLGI-DGCLKSJQSA-N	316.361	1.401	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(N2CCCC2)nc1	758375419	UQEBNQIHHYAANU-UHFFFAOYSA-N	305.382	1.351	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H]2C[C@@]23C(=O)Nc2ccccc23)n1	929716506	SFEJWJZJAZPTSD-PXAZEXFGSA-N	323.356	1.447	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1CC(=O)NNC(=O)CNC(=O)c1ccco1	751203970	UDUFGUIUXIHAAM-VXGBXAGGSA-N	321.377	1.373	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(C)ccc1N1CCCC1	854924514	XTFKIPMWNQZZQN-UHFFFAOYSA-N	306.435	1.676	50	20	DDGD	
C#C[C@H](NC(=O)NNc1c(F)cc(F)cc1F)[C@@H]1CCCO1	922047682	ZLPBQARXKCEVNS-RYUDHWBXSA-N	313.279	1.911	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@@](F)(C#N)C2)C[C@H]1Br	856903402	PIQPOALGFOHTGI-FBIMIBRVSA-N	304.163	1.807	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)C1CC2(CC2)C1	857175350	RMWWRGJCHXTBEK-UHFFFAOYSA-N	311.382	1.239	50	20	DDGD	
O=C(NCC[C@H]1CCCCO1)NNC(=O)c1cccc(F)n1	852248040	BBSKJUMYJIMKCU-SNVBAGLBSA-N	310.329	1.124	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1C#N)C1CCOCC1	755887004	ISKAAFKAUDIMFY-UHFFFAOYSA-N	301.346	1.856	50	20	DDGD	
O=S(=O)(CCCCCl)NC[C@@H]1CCCN1CC(F)F	859293077	BINNEGSMKGWNMW-JTQLQIEISA-N	318.817	1.654	50	20	DDGD	
CC[C@H](NC(=O)NNc1nc(C)cc(OC)n1)[C@H]1CCCO1	756102971	DYYOVNYUAMUBOZ-WDEREUQCSA-N	309.370	1.377	50	20	DDGD	
Cc1cc(C(=O)NCCCSC#N)c2c(O)nn(C)c2n1	854362950	IDRLKHNITMAHEI-UHFFFAOYSA-N	305.363	1.317	50	20	DDGD	
COC(=O)[C@H]1C[C@H](NC(=O)/C(C#N)=C/c2ccc(F)cc2)C1	856368824	OVSZZCLZUYOWJZ-ZGWAFWKNSA-N	302.305	1.800	50	20	DDGD	
CC(C)c1ccc(OCC(=O)NNC(=O)c2cc[nH]n2)cc1	855361703	HODBAEOMHOHVIG-UHFFFAOYSA-N	302.334	1.373	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)c2ccc(Cl)nc2)[C@@H]1C	858556811	CUHDAFXJLBQPOA-JXVAYASWSA-N	311.769	1.556	50	20	DDGD	
CC(C)CC=NNC(=O)Cc1csc(N2CCOCC2)n1	920947917	ZLHCKDKTENNZRG-UHFFFAOYSA-N	310.423	1.670	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccccc1OC(F)(F)F	854922325	GDUBBAVPLCLRNL-UHFFFAOYSA-N	307.297	1.666	50	20	DDGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NC[C@]1(C)C[C@H]1Br	857686849	FTYOWIQJBBYVCW-UKKREREHSA-N	319.243	1.827	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)C1(C)COC(C)(C)OC1)C1CC1	855098643	JYHYSCPANWZGLD-SECBINFHSA-N	315.439	1.069	50	20	DDGD	
CC(C)C[C@H](CN)NC(=O)NC[C@]1(C)C[C@H]1Br	857103852	NUBAMJDIGYIKRP-FOGDFJRCSA-N	306.248	1.833	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)[C@H]1CCN(CC(F)(F)F)C1	857358174	RIQZSSVIMDFBIO-ZETCQYMHSA-N	323.706	1.457	50	20	DDGD	
CC(C)[C@H](NC(=O)NNC(=O)c1cn[nH]c1)c1ccccc1	858105707	MGYHBRKPHMVONS-ZDUSSCGKSA-N	301.350	1.751	50	20	DDGD	
COc1cc(OC)c(NCc2cccc(B(O)O)c2)cc1Cl	864017995	JZLQFRYWPMVKMP-UHFFFAOYSA-N	321.569	1.649	50	20	DDGD	
CC[C@@H](C)Oc1cc(C(=O)NNC(=O)c2cn[nH]c2)ccn1	862470466	FYFIEEAGWRUEPL-SECBINFHSA-N	303.322	1.057	50	20	DDGD	
OB(O)c1ccccc1CNc1ccc2nc(C3CC3)oc2c1	864029954	FPHXQXFHWGAXGD-UHFFFAOYSA-N	308.146	1.997	50	20	DDGD	
CCOc1cccc(/C=C\C(=O)NNC(=O)[C@@H]2CCCCO2)c1	861853509	PRZKHKFEZCOESE-KVPUOBJLSA-N	318.373	1.815	50	20	DDGD	
COc1cccc([C@@H](O)C(=O)NNC(=O)NC2CCCCC2)c1	764586939	FJGWZJFJQTUUFN-CQSZACIVSA-N	321.377	1.392	50	20	DDGD	
OB(O)c1cccc(CNc2ccc(OC(F)(F)F)cc2)c1	864018685	PMAFFAVKFCBODV-UHFFFAOYSA-N	311.068	1.877	50	20	DDGD	
COC[C@@](C)(NC(=O)[C@@H](Br)C(C)(C)C)C(=O)OC	768251253	FZBQSKLBGQBXBM-PRHODGIISA-N	324.215	1.490	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Cc2cc(C)[nH]n2)c(C)c1	869013263	TWYGKMUAZDENJG-UHFFFAOYSA-N	316.361	1.104	50	20	DDGD	
Cc1cc(C)c(OCC(=O)NNC(=O)c2cn[nH]c2)c(C)c1	862474633	WYLHKEJWFCPYIZ-UHFFFAOYSA-N	302.334	1.175	50	20	DDGD	
C[C@H](NC(=O)[C@H](Br)C(C)(C)C)[C@@H]1CN(C)CCO1	768296786	GBZLCJOALHMERK-DCAQKATOSA-N	321.259	1.631	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2csc(C(C)(C)C)n2)n[nH]1	869012138	HJZVLINXYUTAFE-UHFFFAOYSA-N	321.406	1.476	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NN2CCOC2=O)c1C	862698635	ZQSMUJKSQNILJD-NTEUORMPSA-N	316.361	1.905	50	20	DDGD	
CCOC(=O)c1ncc(/C=C(/C#N)C(=O)N2CCCC2)s1	865215626	UPVKKABLMZXGTL-YFHOEESVSA-N	305.359	1.849	50	20	DDGD	
C[C@H](NNC(=O)CNC(=O)CC1CCCCC1)C(F)(F)F	862309658	SKCKGUZKTHIOCA-VIFPVBQESA-N	309.332	1.645	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2(F)CCOCC2)c1C	869256700	QHFQKDOBILJADU-UHFFFAOYSA-N	310.325	1.743	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)C(=O)Nc1cccc(F)c1F	764067893	BMMVHPFVABYVMP-UHFFFAOYSA-N	311.288	1.241	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CCSC2)cc1	762032769	NAIIIQYBZIHJTF-LBPRGKRZSA-N	322.386	1.052	50	20	DDGD	
C=C[C@H](COC)NC(=O)NNc1cccc(C(=O)OC)c1C	1118539869	BPISNVMYPCIJIY-LLVKDONJSA-N	307.350	1.609	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)/C=C(/C)c1ccco1	1118627047	RCZJYEBWPNXSTR-KTKRTIGZSA-N	307.350	1.135	50	20	DDGD	
COc1cc(C(=O)NNc2ncc(F)cn2)cc2c1OCCO2	760915027	RMXBZCUHHTUUKG-UHFFFAOYSA-N	320.280	1.152	50	20	DDGD	
CCCc1n[nH]cc1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	1116663256	JPARQYWTHZAVQH-SNVBAGLBSA-N	324.381	1.101	50	20	DDGD	
O=C1CCCCC[C@@H](C(=O)NNC(=S)Nc2ccccn2)C1	874956495	ZTBUVQJJSAQOJZ-LLVKDONJSA-N	320.418	1.939	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1cccc(F)c1Cl	879572340	PJRVCOFTVBWFFW-UHFFFAOYSA-N	319.720	1.295	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)NCCn1ncnn1	771581382	ATYDPHLFZLNYNF-SNVBAGLBSA-N	301.441	1.503	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1c[nH]cc(Cl)c1=O	1116945133	OZRLNOHBDIZYLX-UHFFFAOYSA-N	303.709	1.662	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@](C)(CC)CC(=O)O)cc1	872830913	BIHZRTXLKNZRBA-INIZCTEOSA-N	306.362	1.901	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)/C=C/c1ccc(OC)cc1	771892734	ZCIGTAOUDUSUCP-HUYFXPKMSA-N	320.345	1.198	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NN=Cc1cnnn1C	773106443	ZTGUKUNLPISPRE-VIFPVBQESA-N	307.741	1.386	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1NC(=O)NNc1ncc(F)cn1	775408846	MHNBVYOGZUXHQQ-UHFFFAOYSA-N	322.256	1.681	50	20	DDGD	
COC[C@H](C)CC(=O)NNc1cncc(Br)c1	1116395844	SGZPBDIYNSASRX-MRVPVSSYSA-N	302.172	1.960	50	20	DDGD	
CC[C@@H](C)[C@H](NC(=O)NNC(=O)c1cnccn1)C(F)(F)F	772539179	WXAWVTRMZPLAHG-APPZFPTMSA-N	319.287	1.398	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@](C)(O)C2CC2)c1	873757344	WRUAAPOTTNSZNZ-HNNXBMFYSA-N	307.419	1.782	50	20	DDGD	
CN(C)C1(C(=O)NNC(=O)c2nc3ccccc3s2)CC1	874913563	FITOZQQHNBPBEH-UHFFFAOYSA-N	304.375	1.152	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)COc1ccc(C)c(C)c1	771870534	MYUQGJUJTWSZJH-GFCCVEGCSA-N	322.361	1.171	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C(F)F)cc1	772073801	BYUJVQIZALOYAZ-QMMMGPOBSA-N	314.288	1.727	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H](c1ccccc1)N1CCCC1	874976505	VPBZELZJFNDNNW-CQSZACIVSA-N	320.393	1.736	50	20	DDGD	
COCCOCC(=O)NN=Cc1cscc1C(F)(F)F	872400584	MUUUZPRHZJUZJJ-UHFFFAOYSA-N	310.297	1.880	50	20	DDGD	
CCC[C@@H](CC)C(=O)NNc1nccc(N2CCOCC2)n1	879172860	VPPKKFFPMSWZFJ-GFCCVEGCSA-N	307.398	1.583	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@H](C)c1ccncc1	772204165	VANAWMBIKGXTDJ-QWRGUYRKSA-N	307.350	1.064	50	20	DDGD	
COCCCOCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	775638349	AVWBDZASQWYTGG-UHFFFAOYSA-N	324.421	1.403	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C(C)C)nc1	772205556	ARDPHBQXEDPWAR-JTQLQIEISA-N	307.350	1.308	50	20	DDGD	
O=C(NN=Cc1ccc(F)cc1C(F)(F)F)C(=O)NC1CC1	771885871	YFHNJWGWWUWMNE-UHFFFAOYSA-N	317.242	1.573	50	20	DDGD	
CCOc1cnc(C(=O)NNc2cccc(C(=O)OC)c2)cn1	779068665	YWSSDNVRGVGKJF-UHFFFAOYSA-N	316.317	1.419	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)[C@H]1CCCN1c1ncccn1	885111143	UMKYOHBHOVBMBO-CYBMUJFWSA-N	319.315	1.867	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C1CCOCC1)[C@H](C)c1ccccc1	883489958	YXOZJVYMMSZSIG-QWHCGFSZSA-N	319.405	1.936	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc(Cl)c1O	772248425	WTVKUZTWALORFW-ZETCQYMHSA-N	314.725	1.148	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)C1CCOCC1)c1ccc(F)cc1	883198944	TVZCUBPSQJZHGP-NSHDSACASA-N	323.368	1.686	50	20	DDGD	
CO[C@H](C)CN(C)c1nnnn1C[C@@]1(C)C[C@H]1Br	1120226624	LUJWELOXDWFTES-FXPVBKGRSA-N	318.219	1.318	50	20	DDGD	
COc1cc(C=NNC(=O)CO)ccc1OCc1ccncc1	776779711	JWURNGYJOKMBRH-UHFFFAOYSA-N	315.329	1.112	50	20	DDGD	
CCOCCOCCNC(=O)c1c(C)nn(CCCl)c1C	885761491	IQORXEMASKHOPA-UHFFFAOYSA-N	317.817	1.522	50	20	DDGD	
C[C@@H](CCNC(=O)NNc1ccc(C#N)cn1)N1CCCCC1	888797830	SEJKWVNFPOPCRB-ZDUSSCGKSA-N	316.409	1.844	50	20	DDGD	
O=C(COC[C@H]1CCCO1)NNc1c(F)cc(F)cc1F	885150611	DDKUWUCAUHIISB-SECBINFHSA-N	304.268	1.743	50	20	DDGD	
CCN1CCOC[C@H]1C(=O)NNc1ccc(F)cc1Cl	885137034	MIDWQBHEGIKUKE-LBPRGKRZSA-N	301.749	1.643	50	20	DDGD	
CO[C@H](CNC(=O)/C(C#N)=C\c1ccc(O)cc1)C(F)(F)F	787360015	NOZQMUQIOWWTPM-XTOZHPGHSA-N	314.263	1.993	50	20	DDGD	
O=C(C#Cc1ccc2c(c1)OCO2)NNc1ncncc1Cl	781825213	LZDKQUDFVAHVEM-UHFFFAOYSA-N	316.704	1.354	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCC(=O)NC(=O)NC1CCCCC1	786670981	SVQOZQWEUIIAPT-XYOKQWHBSA-N	319.361	1.548	50	20	DDGD	
O=C(CCOCc1ccccc1)NNC(=O)C1CCOCC1	883061608	ACSXEGUHLAVLOG-UHFFFAOYSA-N	306.362	1.167	50	20	DDGD	
N#C[C@]1(F)CCN(CC(=O)NNC(=O)c2cccc(Cl)c2)C1	786437230	PPETVEZOMAISIC-CQSZACIVSA-N	324.743	1.039	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1csc(NC2CC2)n1	899996073	FTOJMTZTWDLFKL-UHFFFAOYSA-N	313.452	1.625	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccccc2S(N)(=O)=O)s1	788232859	ZFPMOLKRHQGNPD-UHFFFAOYSA-N	311.388	1.461	50	20	DDGD	
COC1(OC)CC(CNC(=O)NNc2cncc(Cl)n2)C1	1123785322	FERHZJKUHCLMRX-UHFFFAOYSA-N	315.761	1.155	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNc1ccc2c(=O)[nH]ccc2c1	1120647076	CHZKKYBMYNOZLE-ZIAGYGMSSA-N	301.346	1.786	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)Nc2cccc3c2OCO3)n1	789181382	GOAKKTYJYLOZOR-UHFFFAOYSA-N	322.712	1.590	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNC(=S)NC(C)(C)C)cc1O	899996569	YFKFIVCKDUGEOV-VURMDHGXSA-N	323.418	1.708	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2cc(OC)cc(OC)c2)CCC1	785685573	BAAJTEZRFOKFTF-UHFFFAOYSA-N	322.361	1.282	50	20	DDGD	
CC[C@@H](NC(=S)NNC(=O)c1ncon1)c1cccs1	899575120	HHDGZTDDTSOARB-SSDOTTSWSA-N	311.392	1.391	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC(=O)c2ccccc21)c1ccccc1O	789908932	UHSCEIBQIFCDGX-CYBMUJFWSA-N	310.309	1.523	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2ccc(Br)nc2)CO1	784780974	ARIOHPQXKUBQIH-SFYZADRCSA-N	300.156	1.712	50	20	DDGD	
COC(=O)c1cccc(/C=C(/C#N)C(=O)C2CCOCC2)n1	899372989	QMLCIGAKOLGCFT-XFXZXTDPSA-N	300.314	1.771	50	20	DDGD	
CC1(C(=O)NNC(=O)c2cccc(OC(F)F)c2)COC1	782267266	PZZLKAUJSPIYBW-UHFFFAOYSA-N	300.261	1.086	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1OC)[C@H](C)O	790070307	NTFCLZXKVMSQMP-WPRPVWTQSA-N	314.769	1.517	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)c2cccs2)C[C@H](C2CC2)O1	791556497	KEQSDLNLOCXTMK-ZYHUDNBSSA-N	323.418	1.008	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC[C@H]1C[C@H](N)C1)c1ccccc1	892578836	XPXSCKYTHMLROD-MRVWCRGKSA-N	304.394	1.248	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cccc(C)n2)c(C)c1	794077364	VPHLQIJLAXQYFE-UHFFFAOYSA-N	313.357	1.847	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CCc1ccn(C)n1	794381926	DHRICEGAKUCCGV-UHFFFAOYSA-N	300.362	1.051	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1c(CC)nn(C)c1CC	790509788	QOZIVTARWFQCLT-UHFFFAOYSA-N	309.414	1.218	50	20	DDGD	
C=CCNC(=S)NNC(=O)C(=O)c1ccc(Cl)s1	798305840	JARDKSDMGRZXDJ-UHFFFAOYSA-N	303.796	1.266	50	20	DDGD	
C[C@@H](NC(=O)CCc1ccccc1)C(=O)NNc1ccccn1	799717283	CARQOHIZWFRXCL-CYBMUJFWSA-N	312.373	1.662	50	20	DDGD	
Cc1oc(C#N)cc1C(=O)NNc1nc2ccccc2c(=O)n1C	797875211	UBHFQQNJDMCGLK-UHFFFAOYSA-N	323.312	1.464	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)C(=O)c1ccc(O)cc1	798153876	JYBMVBSDGWFBIT-UHFFFAOYSA-N	323.308	1.517	50	20	DDGD	
CN1CCN(C(=O)NN=C(Cc2ccccc2)C2CC2)CC1	790176882	WPPNSUFTFQIBRD-UHFFFAOYSA-N	300.406	1.952	50	20	DDGD	
CS[C@H]1CN(S(=O)(=O)CCCCCl)C[C@H]1N(C)C	780823774	USDSSHQUKGWSJF-MNOVXSKESA-N	314.904	1.313	50	20	DDGD	
C=CCCOCCNC(=O)NNC(=O)c1ccc(OC)cc1	1319733612	ROUHVXNGNCTDAG-UHFFFAOYSA-N	307.350	1.232	50	20	DDGD	
Nc1cc(C(=O)NNc2nncc(N)c2Cl)cc(Cl)n1	1319213999	CCEQSGRCSQYFRO-UHFFFAOYSA-N	314.136	1.100	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2nncc(N)c2Cl)CCCS1	1319763900	VXBSRYWGKUGATB-NSHDSACASA-N	316.818	1.624	50	20	DDGD	
COc1ccc(CCC(=O)N2CCN(C(=O)CCl)CC2)cc1	1319923375	HKXPCKPHPRPAOW-UHFFFAOYSA-N	324.808	1.537	50	20	DDGD	
Cc1ncncc1C(=O)NNC(=O)Nc1ccc(Cl)cc1	1321306513	GBESMUINRYLTPW-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
COC(=O)C(=O)NN=Cc1csc(COc2ccccc2)n1	1323495575	GJWOHVLCQXRDHR-UHFFFAOYSA-N	319.342	1.345	50	20	DDGD	
O=C(NNC(=S)NCc1ccon1)c1ccccc1Cl	1323963765	RKZXSEQZRMZURM-UHFFFAOYSA-N	310.766	1.637	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccn(-c2ccncc2)n1	1255933885	RDXWVLQBYGKTLK-UHFFFAOYSA-N	303.322	1.437	50	20	DDGD	
C[C@]1(CNC(=O)C[C@H]2C=CS(=O)(=O)C2)C[C@@H]1Br	1331204656	YISSOSFBGFKXKO-WCABBAIRSA-N	322.224	1.225	50	20	DDGD	
COC(=O)C(=O)NN=Cc1cc(OC)cc(C(F)(F)F)c1	1330144294	YLGRDRTUDIVTFX-UHFFFAOYSA-N	304.224	1.337	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cccc(CCl)c1	1335909100	LFRLMNQRDMAZJM-UHFFFAOYSA-N	309.675	1.932	50	20	DDGD	
C[C@H]1CN(C(=O)OC(C)(C)C)CC1=NNC(=O)c1cccnn1	1330907962	KJKNKUSZTNWOAL-JTQLQIEISA-N	319.365	1.449	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C1CCOCC1)c1ccc(F)cc1F	1330842042	SLVFXIGESPTYLC-SECBINFHSA-N	312.316	1.642	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@@]1(C(F)(F)F)CCCN1	1262594603	WPNDDEVTNYEYHM-LLVKDONJSA-N	310.320	1.047	50	20	DDGD	
COC(=O)[C@H]1C[C@H](O)CN(C(=O)C2CCC(Cl)CC2)C1	1347717081	OALOPVNWPOHKAH-ADPBJBESSA-N	303.786	1.166	50	20	DDGD	
CC(C)C[C@@H](C)OCCC(=O)NNc1nncc(N)c1Cl	1340600591	KTUVJPPFZMMTNT-SECBINFHSA-N	315.805	1.997	50	20	DDGD	
C[C@@]1(COC(=O)c2cc3n(n2)CCCO3)C[C@H]1Br	1344051199	VHWALFGWXFEQQL-SKDRFNHKSA-N	315.167	1.996	50	20	DDGD	
CSSCCNC(=O)NC[C@H]1CC2(CCNCC2)CO1	1350203656	NUTPMMQCZVBVMT-LLVKDONJSA-N	319.496	1.456	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNc1cccc(S(C)(=O)=O)c1	1353628465	LCLYDYGAPPMKDZ-CHWSQXEVSA-N	312.391	1.348	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(C(=O)O)c(F)c1)c1ccnn1C	1603173792	URZHVRZOIDCFAO-MRVPVSSYSA-N	306.297	1.504	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cncc(C(F)(F)F)c1	1526938899	SQWVQQISNLIASE-UHFFFAOYSA-N	306.244	1.290	50	20	DDGD	
C[C@@H]1COCC[C@H]1CNC(=O)NNc1cccc(C(=O)O)c1	1604817915	FZCXVNJWYBNQJG-PWSUYJOCSA-N	307.350	1.684	50	20	DDGD	
O=C(O)C1(C(=O)NNc2ncncc2Cl)CCCCCC1	1605935266	FGHQUMKHXHMDPA-UHFFFAOYSA-N	312.757	1.998	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccn1)c1c[nH]c(C(=O)O)c1	1608481662	LOXATLXTKWKSKS-UHFFFAOYSA-N	314.223	1.884	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)nc(NC[C@]2(C)C[C@@H]2Br)n1	1605574928	GHIFXCZZCJJLOL-KWQFWETISA-N	324.186	1.551	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N(C)[C@H]1C[C@@H](C(=O)O)C1	1600566254	ULLGGIUDJPJXLV-PHIMTYICSA-N	305.334	1.144	50	20	DDGD	
Cc1ccc(NNC(=O)c2ccc3nc[nH]c3n2)cc1C(=O)O	1600461534	LEZBMHIIIGNWCZ-UHFFFAOYSA-N	311.301	1.721	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1c(F)cccc1F	1606858094	JFTVIRXMROWSQZ-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H](C)C[S@](C)=O)cccc1C(=O)O	1600050188	BIKBSVYOARALKB-PPRQPISWSA-N	313.379	1.086	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CCCc3n[nH]cc32)cc1C(=O)O	1607810168	SNIXPWMWVRTVAZ-NSHDSACASA-N	314.345	1.980	50	20	DDGD	
O=C(NN=C1CCCC12CCOCC2)[C@H]1CN2CCC[C@H]2CO1	1549320100	KNASPCPHZFKXJW-UONOGXRCSA-N	321.421	1.303	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2=CC[C@@H](N)C2)c2ccccc2n1	1579565683	TZVUJTUWFNKTHR-GFCCVEGCSA-N	310.357	1.352	50	20	DDGD	
CO[C@@H]1CN[C@](C)(C(=O)NNc2cccc(F)c2Cl)C1	1573960124	FCNDDCGXCXTWEK-SDBXPKJASA-N	301.749	1.689	50	20	DDGD	
NCCCC(=O)NNC(=O)c1cc(F)ccc1-c1ccoc1	1580289594	NVIZGYYXKKWKDV-UHFFFAOYSA-N	305.309	1.586	50	20	DDGD	
C#CCO[C@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1588358634	ZGAJZMYYPYWMGY-MRVPVSSYSA-N	320.740	1.002	50	20	DDGD	
C[C@H](OC1CCCCC1)C(=O)NNc1ncccc1C(=O)O	1589162298	LWFJHCPQLIERGT-JTQLQIEISA-N	307.350	1.961	50	20	DDGD	
NCCNC(=O)NNC(=O)Cc1cc(Cl)cc2ccccc12	1580311461	VMRZKPCJMGUJKP-UHFFFAOYSA-N	320.780	1.325	50	20	DDGD	
O=C(/C=C\[C@@H]1CCCNC1)NNC(=O)c1cccc(Cl)c1	1580494766	VLYHKANMWJXONO-ZADCQDASSA-N	307.781	1.657	50	20	DDGD	
CCC(=O)C(=O)N1CC2(CCCN2C(=O)[C@H](Cl)CC)C1	1845167186	MVUZHEGQUQDGAM-SNVBAGLBSA-N	300.786	1.186	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](C(=O)O)c1ccc2c(c1)CCO2	1596863275	PRVZTIJDIBQJIR-FWLQQBITSA-N	316.313	1.307	50	20	DDGD	
C[C@@](O)(C(=O)NNc1cccc(C(=O)O)c1F)c1ccccc1	1599882982	NVNMZCNMPFAGCV-INIZCTEOSA-N	318.304	1.875	50	20	DDGD	
CO[C@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)C1CCCC1	1591311908	CLTGKIMAAXLIDV-ZDUSSCGKSA-N	316.365	1.515	50	20	DDGD	
COc1nccc(C(=O)NNc2cccc(F)c2C(=O)O)n1	1599734205	BYVKIIHVGHTHKF-UHFFFAOYSA-N	306.253	1.079	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNc1ccc(C(=O)O)cc1OC	1598841481	YNJALPOOYFNLAQ-SECBINFHSA-N	324.333	1.426	50	20	DDGD	
O=C(NN=C1CC[C@@H](C(=O)O)c2ccccc21)c1cccnn1	1776103742	YBTMODACXAPJOC-GFCCVEGCSA-N	310.313	1.573	50	20	DDGD	
CC[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cl)CC)C2	1792979242	JQLLNFWMFKTOBR-PPCPHDFISA-N	316.829	1.413	50	20	DDGD	
C[C@@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl	1796810264	RXNMUUJFCHAQLM-SPFKKGSWSA-N	308.806	1.477	50	20	DDGD	
C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)c1ccncc1	15273157	QLJUAMGKOMVNAJ-NSHDSACASA-N	310.313	1.182	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=S)N[C@@H]2CCCC[C@@H]2C)n1	16316508	QOEKQXVMJTXDHI-GXFFZTMASA-N	323.466	1.574	50	20	DDGD	
O=C(C[C@H](C(=O)O)c1ccccc1)NNC(=O)c1ccccn1	16482124	QNYHOFIAXHMGNR-LBPRGKRZSA-N	313.313	1.101	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C/c1cnn(-c2ccccc2)c1	16881227	OYTSGHUIANBTMV-LIOBOASVSA-N	310.357	1.930	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]1c1cccc(F)c1F)c1cccnc1	158235394	NYSASJOEFUSTKN-RYUDHWBXSA-N	317.295	1.925	50	20	DDGD	
CC1=C(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)CCCO1	158911086	BSWVBKBTLVWDSS-LLVKDONJSA-N	322.336	1.825	50	20	DDGD	
O=C(NNC(=O)c1c[nH]nc1-c1ccccc1F)c1ccc[nH]1	151548948	QKJPEUAVKXIIOF-UHFFFAOYSA-N	313.292	1.619	50	20	DDGD	
O=C(COc1ccccc1O)NNc1ncnc2ccsc12	153153359	QQCQERDQYUXXNW-UHFFFAOYSA-N	316.342	1.919	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc(CC(F)(F)F)cc1	156104864	MFMXCIJWBBWYLK-UHFFFAOYSA-N	318.299	1.506	50	20	DDGD	
C[C@@H](Cc1ccccc1F)C(=O)NNc1ccc(C(N)=O)nn1	154296395	GFPFRXYDAGGZKC-VIFPVBQESA-N	317.324	1.037	50	20	DDGD	
Cc1nn(-c2ccccc2)c(C)c1CC(=O)NNc1cnccn1	159121227	DECQGUCSWPBDBF-UHFFFAOYSA-N	322.372	1.965	50	20	DDGD	
CCN(C)C[C@H]1CCN(S(=O)(=O)CC(C)(C)CCl)C1	866893283	MTHXDZKVXFPLTF-GFCCVEGCSA-N	310.891	1.855	50	20	DDGD	
N#CSCCCNC(=O)CN1C(=O)c2ccccc2C1=O	774296723	ISPUDBHGFJEBLL-UHFFFAOYSA-N	303.343	1.003	50	20	DDGD	
CCO[C@@H](C)C(=O)NNC(=O)c1cccc(OC(F)F)c1	103041388	VKVPPRZAWFNGHG-QMMMGPOBSA-N	302.277	1.474	50	20	DDGD	
C[C@H](OCc1ccccc1)C(=O)NNC(=O)c1cccc(C#N)c1	103401630	MOKLPVLGQFKWHD-ZDUSSCGKSA-N	323.352	1.925	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Cc1c[nH]c2ccc(F)cc12	115374598	YDFXYAYACQKHKJ-UHFFFAOYSA-N	315.308	1.342	50	20	DDGD	
Cc1ncc(CN(C)CC(=O)NNC(=O)c2ccccc2)s1	53144005	VEJPXNURWUJIJR-UHFFFAOYSA-N	318.402	1.345	50	20	DDGD	
Cc1ccc(NNC(=O)NCCc2ccc(N(C)C)cc2)nn1	106268953	IOKBOUGLUYYWGD-UHFFFAOYSA-N	314.393	1.720	50	20	DDGD	
Cc1nc(C)c(CCNC(=O)NNC(=O)c2ccccc2)s1	108435294	KOWSWNQJATVXJQ-UHFFFAOYSA-N	318.402	1.947	50	20	DDGD	
O=C(CNC(=O)c1cccc(F)c1)NNc1ccccc1F	119947305	YKEKNBUAZDKFDN-UHFFFAOYSA-N	305.284	1.838	50	20	DDGD	
CCn1c(NNC(=O)[C@H]2CCCO2)nc2ccccc2c1=O	25406795	CPEXXGUBQPVROS-GFCCVEGCSA-N	302.334	1.039	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNC(=O)COc1cc(C)ccc1C	119748164	FTVBBBVEJRKOGX-MRXNPFEDSA-N	308.378	1.381	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H]1CCCN1C(=O)c1cccs1	63270985	LMTFMZCGTJPAOQ-JTQLQIEISA-N	324.406	1.092	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	60388220	YHYQODOUQXEVHY-HNNXBMFYSA-N	312.325	1.596	50	20	DDGD	
O=C(CSCc1cscn1)NNC(=O)Cc1cccnc1	129986189	KTKRNGPHVVDCQI-UHFFFAOYSA-N	322.415	1.161	50	20	DDGD	
O=C(NNc1cccc(F)c1)[C@H]1CC[C@H](C(F)(F)F)NC1=O	178920768	WYMMVYMMJWNQJA-VHSXEESVSA-N	319.258	1.726	50	20	DDGD	
CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(CCl)cc1	305961757	ALBRSGHSMHILFN-VIFPVBQESA-N	304.799	1.228	50	20	DDGD	
Cn1nccc1NC(=O)NNC(=O)Cc1ccc(Cl)cc1	124622190	UVINTWMQASZWMM-UHFFFAOYSA-N	307.741	1.469	50	20	DDGD	
CCOC1CC(CC(=O)NNc2nccc(N(CC)CC)n2)C1	188159086	DJCPZEQXTHCJNX-UHFFFAOYSA-N	321.425	1.971	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCc2c([nH]c3ccccc23)C1	126861544	HVMIRMWNCGEFMH-NSHDSACASA-N	314.389	1.472	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1c[nH]nc1C1CC1	188143714	RQGXUYYROXDJNO-UHFFFAOYSA-N	314.345	1.387	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CC2(CN)CCCCC2)n1	184200180	SYOUDJHPBBWBPE-UHFFFAOYSA-N	307.398	1.536	50	20	DDGD	
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)S(=O)(=O)CCCCCl	154204720	JUVWKBNVOHCLGV-NXEZZACHSA-N	319.876	1.089	50	20	DDGD	
Cc1nn(C)cc1[C@@H](C)NC(=O)NNc1nc2ccccn2n1	189137716	QDBAVMKKVJVVJZ-SECBINFHSA-N	314.353	1.159	50	20	DDGD	
O=C(/C=C/c1ccc[nH]1)NNC(=O)[C@@H]1COc2ccccc2O1	189534603	KPIVTUSELFABQB-NPQIQWPPSA-N	313.313	1.015	50	20	DDGD	
CCC(=O)c1cccc(NC(=O)C(=O)NNc2ccccn2)c1	181403018	LEOZNFVBKFURMS-UHFFFAOYSA-N	312.329	1.756	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@H]1C[C@]1(C)C(C)C	186461138	GGXMTFTWQNYTNI-SJKOYZFVSA-N	320.389	1.904	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccncc1F	78061959	SQDXDFOWRDVHFK-VIFPVBQESA-N	321.283	1.588	50	20	DDGD	
CCC(CC)N(CCOC)CC(=O)NNC(=O)c1ccccc1	182217214	VITKLYCKXNWUPG-UHFFFAOYSA-N	321.421	1.585	50	20	DDGD	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NN(C)C(N)=O	182649696	WVGIICZXMLIZLT-UHFFFAOYSA-N	317.267	1.926	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Nc2nccs2)c1	42755639	CUAJPAGMFDDYIV-UHFFFAOYSA-N	306.347	1.683	50	20	DDGD	
O=C(CCCOc1ccccc1F)NNC(=O)c1ccncc1	193703943	DDTQKVQJZINOJZ-UHFFFAOYSA-N	317.320	1.841	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C\c1cc(OC)c(O)c([N+](=O)[O-])c1	40889288	CPGATYYLGOJCKQ-YHYXMXQVSA-N	303.274	1.518	50	20	DDGD	
O=C(NCCCF)NNC(=O)c1ccc(Br)s1	136931451	TUIFWNDFESRFME-UHFFFAOYSA-N	324.175	1.814	50	20	DDGD	
N#C/C(=C/C1=Cc2ccccc2OC1)S(=O)(=O)NC1CC1	195308764	YCWAPTDMOZWIOT-ZSOIEALJSA-N	302.355	1.952	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCCN2CCC(C)CC2)o1	84414129	ZECSNBRTPNOQPX-UHFFFAOYSA-N	322.409	1.654	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cnc(C)s2)cc1	195331913	SEKGUOCDNMXSSI-UHFFFAOYSA-N	305.359	1.600	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3C2)cc1	195398988	TYFAOKHISRWTAS-HNNXBMFYSA-N	321.336	1.571	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(N2CCCC2)nc1	131924259	KVUDIYNMJDBOAP-UHFFFAOYSA-N	314.349	1.237	50	20	DDGD	
CC(=O)NCCCNC(=O)NNc1ccccc1C(F)(F)F	46905123	CKYYJKWZRUIRCL-UHFFFAOYSA-N	318.299	1.858	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1coc2cc(C)ccc12	41960793	SLHVFMGSNZTDTO-UHFFFAOYSA-N	303.387	1.965	50	20	DDGD	
CN(CCC1CC1)CC(=O)NNC(=O)c1ccccc1Cl	135279736	MDVXGFIAMUZOBF-UHFFFAOYSA-N	309.797	1.833	50	20	DDGD	
CCOCCC1(C(=O)NNc2cc(Cl)nc(N)n2)CCC1	134065260	SFBCEONQKZDLPU-UHFFFAOYSA-N	313.789	1.752	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc(SC)cc1	194863719	NLHWTKKZSZSEBL-VIFPVBQESA-N	302.421	1.764	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)CC1CCCC1	195212717	LCGGCKWIXFZWGZ-BDJLRTHQSA-N	318.373	1.943	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cc(C(C)C)[nH]n2)cc1	192733258	ZYQYCEFNJPGFOM-UHFFFAOYSA-N	316.361	1.682	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2cc(C3CC3)[nH]n2)c1	93546666	XAKVMDNJJOLNSN-UHFFFAOYSA-N	302.725	1.964	50	20	DDGD	
O=C(O)CC1(CC(=O)NNC(=O)c2ccc[nH]2)CCCCC1	238089824	DWIUZGFXHUCAEN-UHFFFAOYSA-N	307.350	1.591	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)C1=Cc2ccccc2OC1)C1CC1	267624020	OROTXWVEOLFKTC-JTQLQIEISA-N	317.414	1.756	50	20	DDGD	
CC(C)(C)[S@@](=O)CCNC(=O)NNc1ccc(Cl)nc1	266756460	GIUBOAGXLMANCK-FQEVSTJZSA-N	318.830	1.908	50	20	DDGD	
COC[C@@H](NC(=O)NNc1nccc(OC)n1)c1ccco1	266961977	OPKLSJNLKYUJIO-SECBINFHSA-N	307.310	1.092	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H](C)CC[S@@](C)=O	268272978	TYLAPKZJTZFNOF-GSDQLPOLSA-N	319.858	1.626	50	20	DDGD	
Cc1nnc(CC(=O)NNC(=O)C(C)(C)c2ccccc2)o1	264667744	VREWVROKSZUYOS-UHFFFAOYSA-N	302.334	1.046	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)COc1ccccc1OC	265703752	FRILZNZQTISOQO-UHFFFAOYSA-N	319.317	1.086	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CC[C@H](CC(N)=O)C1	366461343	LJIBKHFLTSLNJR-PSASIEDQSA-N	305.216	1.520	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)NNc2ccccc2[N+](=O)[O-])C1	364323368	YAYQGKYVHNGJCI-AWEZNQCLSA-N	306.322	1.296	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2CCO[C@H](C(C)C)C2)nc1	275834905	BOZZONIFQTYHPG-YPMHNXCESA-N	308.382	1.920	50	20	DDGD	
O=C(NNc1nnc(C2CC2)s1)[C@H](O)CCc1ccccc1	273617507	LFSIEUSZAQHOJU-GFCCVEGCSA-N	318.402	1.852	50	20	DDGD	
C=CCC1(C(=O)NNc2nc(O)c3cnn(C)c3n2)CCC1	277215738	HHMXAWNXTSCWPU-UHFFFAOYSA-N	302.338	1.258	50	20	DDGD	
C[C@H]1CN(C2CC2)C[C@H]1NC(=O)/C(C#N)=C\c1ccc(O)cc1	278851218	AUHAXASSWOQWIZ-GYHZQNQCSA-N	311.385	1.898	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cc(C(=O)OC)ccc1C	273449126	SSDWRBBYSSAEAU-SECBINFHSA-N	307.350	1.980	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1CCCCS1(=O)=O	273199940	KVUKPRWQLAXVEM-NSHDSACASA-N	313.335	1.005	50	20	DDGD	
C[C@H]1OCC[C@@]12CN(CCI)CCO2	375916602	BOGOEQBFJGXDQE-NXEZZACHSA-N	311.163	1.301	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@H]1COCCN1CC)c1ccccc1	371421838	AVYIISKTCDDRDV-HUUCEWRRSA-N	319.405	1.048	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cnn(C)c1-n1c(C)ccc1C	286428999	QWXSJUZAFGGPNH-UHFFFAOYSA-N	305.338	1.171	50	20	DDGD	
O=C(NNc1cccc(F)n1)Nc1nc2c(s1)COCC2	287322788	OXDYTJGICGCVDI-UHFFFAOYSA-N	309.326	1.899	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@H]2CCCSC2)n1	287863569	DGTKTLQHGQTAEK-LLVKDONJSA-N	308.407	1.477	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@H]1CCO[C@@H]1c1cccnc1	281277461	WXCQCJMKIYGZPU-QWHCGFSZSA-N	318.826	1.850	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CC[C@@H]2C(=O)OC)c1	285817919	NEWREGGHYNNBMM-NEPJUHHUSA-N	306.318	1.116	50	20	DDGD	
O=C(NNc1ncccc1F)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2	286848186	XQWSXWLAOKIAKK-YUSALJHKSA-N	306.341	1.804	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](Cc2ccccc2)OC)nc1	295157971	GIOJXWAHBQDNNY-CQSZACIVSA-N	301.346	1.791	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cnn(CCF)c1	807778150	SFKWFVGVUBKOQY-UHFFFAOYSA-N	307.285	1.826	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1	291546190	AEVJTBWVKUCWSJ-SKDRFNHKSA-N	322.321	1.165	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(C)(C)c1ccc2c(c1)OCCO2	299398498	WDMDCDHKDOPSPZ-UHFFFAOYSA-N	320.389	1.929	50	20	DDGD	
COC1(CNC(=O)NNC(=O)Cc2ccccc2F)CCCC1	296927287	UMDGUNUYTLBYMK-UHFFFAOYSA-N	323.368	1.658	50	20	DDGD	
CC(C)(C)n1nccc1NC(=O)C(=O)NNc1cccc(F)n1	807392815	ZCQMRIABLURORM-UHFFFAOYSA-N	320.328	1.254	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(OC(=O)OCC)cc1	800328576	PGYINMGZWVNUOT-UHFFFAOYSA-N	309.322	1.576	50	20	DDGD	
COCCOc1cncc(C(=O)NNc2ccc(Cl)nn2)c1	801622133	MQEWUWQAFYYCSH-UHFFFAOYSA-N	323.740	1.307	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)c3cnc[nH]3)cc2C1	299682584	WEKFIIDJXPJQHE-MRVPVSSYSA-N	304.375	1.671	50	20	DDGD	
COCC1(CNC(=O)NNc2ncccc2C)CCOCC1	292600639	VZJJZCYTDIKNLS-UHFFFAOYSA-N	308.382	1.459	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccnc2ccncc12	806792043	ANZVAJTWVFQSKP-UHFFFAOYSA-N	307.313	1.029	50	20	DDGD	
O=C(Cn1cc(Cl)cn1)NNC(=O)c1cccc(Cl)c1	806272750	LHRQOZBNLSNFME-UHFFFAOYSA-N	313.144	1.651	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H](O)c1ccc(Cl)cc1F	291571626	SWCQBERQTIDNFQ-SNVBAGLBSA-N	303.721	1.251	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@](C)(O)C2CC2)c2ccccc2n1	804646913	XMNYFMICFNPLAM-KRWDZBQOSA-N	313.357	1.465	50	20	DDGD	
Cc1nnc(CCNC(=O)NNc2cccc([N+](=O)[O-])c2)s1	292352290	OILPCLPVJUURSW-UHFFFAOYSA-N	322.350	1.624	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802124679	FXNAETZCHHCHIL-HNNXBMFYSA-N	308.382	1.456	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2ccc([N+](=O)[O-])cc2C)CCC1	805383095	NIBISTSZVKQRNQ-UHFFFAOYSA-N	306.322	1.263	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC1CCC(N(C)C)CC1	817153202	COILFRPFWMYKHW-UHFFFAOYSA-N	318.421	1.812	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C1CC(OCc2ccccc2)C1	819122781	HGKGAAPEOCAAOR-UHFFFAOYSA-N	302.374	1.929	50	20	DDGD	
CC(C)c1cnc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)s1	814781211	BGXHZGCKEDALKC-SECBINFHSA-N	315.420	1.151	50	20	DDGD	
O=C(COc1ccc(F)cc1)NN=Cc1cc(CO)ccc1O	814748539	JCBMPOMSZQRYNJ-UHFFFAOYSA-N	318.304	1.553	50	20	DDGD	
O=C(CCc1ncccn1)NNc1cccc(F)c1[N+](=O)[O-]	812546309	VPCWZIHMIPRLDG-UHFFFAOYSA-N	305.269	1.600	50	20	DDGD	
O=C(CCc1cncs1)NNc1nc(-c2cccnc2)no1	815547286	MOYDRWATNRNJAM-UHFFFAOYSA-N	316.346	1.664	50	20	DDGD	
Cc1nnc(CC(=O)NNc2cccc(Br)c2)o1	813493958	SENJWBVPOBDIBW-UHFFFAOYSA-N	311.139	1.826	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)Nc1ccc(N(C)C)cc1	811642938	LRUWUFFDXNUXIE-CYBMUJFWSA-N	317.393	1.919	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CC[C@@H](C(=O)O)C(C)(C)[C@H]1C	814777196	QNFCTSMHODLNJX-UWVGGRQHSA-N	311.382	1.140	50	20	DDGD	
CS/C=C\C(=O)NNc1ccccc1S(=O)(=O)N(C)C	817054950	FYYVJPMCOIXRKC-HJWRWDBZSA-N	315.420	1.257	50	20	DDGD	
N#CSCCCNC(=O)C1CCN(CC(F)(F)F)CC1	816538259	KLLHXNTUHDXWCF-UHFFFAOYSA-N	309.357	1.981	50	20	DDGD	
NC(=O)COc1cccc(C(=O)NNc2cccc(Cl)n2)c1	817012087	XDVSUFDAVXFDCR-UHFFFAOYSA-N	320.736	1.356	50	20	DDGD	
Cc1nnc(CC(=O)NNC(=O)CCCc2ccccc2)o1	728168774	CLYVVQHHDAZWOW-UHFFFAOYSA-N	302.334	1.091	50	20	DDGD	
COc1ccc(CN2C[C@H](C(=O)NN(C)C3CC3)CC2=O)cc1	819648032	UGRCXLBOLVZAIM-CYBMUJFWSA-N	317.389	1.169	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@H]2CCCOC2)cc1OC	727723481	PNMHNRNVHRGSDO-GFCCVEGCSA-N	322.361	1.282	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)Cc1ccc(Cl)cc1)C(C)C	490998674	ZDZYPMOXSBZSMS-CYBMUJFWSA-N	307.781	1.871	50	20	DDGD	
COc1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cn1	826187522	USLRDGUHABJRHE-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
CN(C)CCN(C(=O)/C(C#N)=C/c1cnn(C)c1)C1CCCC1	491086344	TUPDHFDBAGGUIN-XNTDXEJSSA-N	315.421	1.660	50	20	DDGD	
CC[C@@H](C)C(=O)NN=Cc1c(C)nn(CCC(=O)OC)c1C	727061032	AEPGZDZNEVATAF-SNVBAGLBSA-N	308.382	1.559	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1ccc(F)c(C(N)=O)c1	728742904	UDVBMKRVEPUXNE-UHFFFAOYSA-N	310.329	1.514	50	20	DDGD	
COC(=O)N(C)NC(=O)CCN1C(=O)CCc2ccccc21	495630080	ZFVXYKMALGTKDD-UHFFFAOYSA-N	305.334	1.085	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNC(=O)COc1ccccc1C#N	820629819	HFSRWWNCZYYPSJ-CYBMUJFWSA-N	314.345	1.069	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NNc1nc(-c2ccccc2)no1	827106127	PFTKZPBTKFFWCS-VXGBXAGGSA-N	324.344	1.717	50	20	DDGD	
CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCO1	823948382	KBOVKHIUYPIRFC-GFCCVEGCSA-N	300.322	1.151	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)NNC(=O)C1CC1	491616725	MGIFKWZFCCZMCI-QWRGUYRKSA-N	311.382	1.237	50	20	DDGD	
C[C@@H]1CCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)[C@H](C(N)=O)C1	491086375	TXBJUYDOVYCNHZ-ZGVOAXKLSA-N	313.357	1.412	50	20	DDGD	
O=C(CCCC(=O)C1CC1)NNC(=O)COc1ccc(F)cc1	822205117	LWFLKZDINSHONB-UHFFFAOYSA-N	322.336	1.501	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(Cl)c2c(c1)OCCCO2	823838668	TXRJWTNBMKFOBJ-UHFFFAOYSA-N	314.769	1.460	50	20	DDGD	
C=CC[C@@H](CO)CNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	490812469	KYKISBGNDYLMMK-IUSDJGRYSA-N	312.373	1.413	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1cccc(C(F)F)c1	901967318	ZUKUBKZWQHMMPY-UHFFFAOYSA-N	316.329	1.737	50	20	DDGD	
Cc1ccccc1CN(C(=O)c1ccc(B(O)O)cc1)C1CC1	584927121	CQLKQNJJDSLLJY-UHFFFAOYSA-N	309.174	1.480	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCC[C@@H](O)c2ccccc2)cn1	828088370	VKXZPCLMUSVUII-CQSZACIVSA-N	316.361	1.085	50	20	DDGD	
CN(CCC(=O)NNC(=O)C1CCCC1)C(=O)OC(C)(C)C	495613989	TZMKNGRLCAUOLX-UHFFFAOYSA-N	313.398	1.581	50	20	DDGD	
CCCC[C@H](C)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	495646991	LEBHIVCIIFDFTC-NSHDSACASA-N	315.414	1.875	50	20	DDGD	
C=CCCNC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	820771997	YBMADEYPHIJZKS-CYBMUJFWSA-N	305.378	1.977	50	20	DDGD	
C/C=C(/CC)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C	492742314	BYBIRTQPQZPMGT-POHAHGRESA-N	314.386	1.198	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](c2ccccc2)n2cccn2)ncn1	734254431	SWJQOQAACQQNEW-OAHLLOKOSA-N	308.345	1.714	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC[C@@]1(C)CCOC1)c1ccccc1	733351474	GAQZZNPYNXCSPG-WMLDXEAASA-N	319.405	1.937	50	20	DDGD	
CCC(=O)NN=C(C)C[C@H]1COCCN1C(=O)OC(C)(C)C	495332009	SRZUQNSFYVQBBK-LBPRGKRZSA-N	313.398	1.915	50	20	DDGD	
CC(C)Cn1cc(C(=O)NNC(=O)C(C)C)c(C(F)F)n1	822204003	ZOCFBIMGRFQEKZ-UHFFFAOYSA-N	302.325	1.894	50	20	DDGD	
CN(CCCC(=O)NNC(=O)C(C)(C)C)C(=O)OC(C)(C)C	490832560	AARZJOQKYMYJBA-UHFFFAOYSA-N	315.414	1.827	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCC2(CCCCCC2)C1	584959366	ABLLEROFEMZDMG-UHFFFAOYSA-N	301.195	1.553	50	20	DDGD	
CC(C)[C@@H](NC(=O)O)C(=O)NNC(=O)c1c[nH]c2ccccc12	736375336	NZZUXEADTUHQMF-GFCCVEGCSA-N	318.333	1.221	50	20	DDGD	
C#CCCCCCC(=O)NNC(=O)CNC(=O)OC(C)(C)C	495086101	KJRCMRLQJYLZPL-UHFFFAOYSA-N	311.382	1.242	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCCC[C@@H]2C(F)(F)F)c(F)c1	585047425	BXDBNLYZWIUCOV-WCQYABFASA-N	319.107	1.716	50	20	DDGD	
Cc1nnc(NNC(=O)c2coc(-c3ccccc3)n2)nc1O	738507227	HBRJHEGPXAMXOS-UHFFFAOYSA-N	312.289	1.298	50	20	DDGD	
COCCN1CC[C@H](NC(=O)NNc2c(F)cccc2F)C1	739037043	ZQIKRTPEEAQLNG-JTQLQIEISA-N	314.336	1.312	50	20	DDGD	
C[C@]1(C(=O)NCc2nc(C3CC3)no2)C[C@@H]1Br	906334908	XHAKYZGAUAKTPL-CPCISQLKSA-N	300.156	1.737	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1)C1CC1	731186748	RYMXTWOGUBJODL-CQSZACIVSA-N	315.373	1.096	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cccc(Cl)n1	731491833	XDQRMOPDRWLHGC-UHFFFAOYSA-N	305.721	1.818	50	20	DDGD	
CC(=O)NC1CCC(NC(=O)[C@]2(C)C[C@@H]2Br)CC1	906505699	KFIBTPCBFQJETC-TWHWIZHFSA-N	317.227	1.723	50	20	DDGD	
O=C(CCCn1cncn1)NNc1cc(C(F)(F)F)ccn1	832962997	PBKYMLQOWGMHLX-UHFFFAOYSA-N	314.271	1.615	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2(C#N)CCC2)cc1OC	735989771	NEKZRIXNJRZUEQ-UHFFFAOYSA-N	303.318	1.159	50	20	DDGD	
CCO[C@@H]1CCCC[C@H]1NC(=O)NNc1nc(C)cc(OC)n1	838727023	OMXOEPJNGJICMS-VXGBXAGGSA-N	323.397	1.767	50	20	DDGD	
CC(C)Oc1cc(F)ccc1NCc1ccc(B(O)O)cc1	585034160	MXYICMUBAVDNAK-UHFFFAOYSA-N	303.142	1.905	50	20	DDGD	
CO[C@H]1CCN(C(=O)NNC(=O)c2cccc(C#N)c2)C[C@H]1C	836277415	YEVFQDLLLHSOMH-RISCZKNCSA-N	316.361	1.269	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)c1	905104334	RXSKBCCXUXVVSR-IUIKQTSFSA-N	316.357	1.055	50	20	DDGD	
COCC1(O)CCN(C(=O)[C@@]2(C)C[C@H]2Br)CC1	907148483	BXXZTVSOACIDQT-KOLCDFICSA-N	306.200	1.160	50	20	DDGD	
O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)c1cc[nH]c1	732286111	ASFUYJBJVDNHFB-UHFFFAOYSA-N	315.301	1.768	50	20	DDGD	
CC(F)(F)CNC(=O)NNc1ccccc1S(C)(=O)=O	836479390	LWIAROFWQYKIEQ-UHFFFAOYSA-N	307.322	1.371	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)C[C@H]1CCC(=O)N1C	831755237	BJSULNGJEZPERM-CYBMUJFWSA-N	312.373	1.997	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCCOC(C)C)cc1F	838551089	UJNQVJKOAILVSR-UHFFFAOYSA-N	313.329	1.663	50	20	DDGD	
C=CCc1cc(C(=O)NN(C)C[C@H](C)O)cc(OC)c1OC	910179768	ODBDGSZMVKRLMS-NSHDSACASA-N	308.378	1.390	50	20	DDGD	
Cc1ccc(OC[C@@H](C)NC(=O)NNC(=O)c2ccc[nH]2)cc1	743352812	ZCOPPYSARLVEHX-GFCCVEGCSA-N	316.361	1.735	50	20	DDGD	
CCc1cccc2c(C=NNC(=O)C(=O)N3CCCC3)c[nH]c12	748137377	CCLSHAWFDKQDTB-UHFFFAOYSA-N	312.373	1.803	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1C[C@H](OCC)C1(CC)CC	749614719	HQNPNPFZFWGBGK-RYUDHWBXSA-N	315.414	1.337	50	20	DDGD	
CC(=NNC(=O)c1nnc(O)c2ccccc12)c1ccccn1	916317908	IHPGSDYXIHGPIS-UHFFFAOYSA-N	307.313	1.884	50	20	DDGD	
CO[C@@H](C)CCNC(=O)NNc1ncc(Br)cn1	847308068	TVPOWVUCJVEZFF-ZETCQYMHSA-N	318.175	1.290	50	20	DDGD	
CC(=O)[C@@H](NS(=O)(=O)CBr)c1ccccc1F	841572761	XTMCZDRXSAYHLW-SNVBAGLBSA-N	324.171	1.728	50	20	DDGD	
COc1cccc(O[C@@H](C)CNC(=O)NNC(=O)C(C)(C)C)c1	743598971	QIQQAFGNZDSEQC-NSHDSACASA-N	323.393	1.839	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=C1CCN(C(=O)CC(C)(C)C)CC1	842553174	FGNXHLYKUQSELN-TZMCWYRMSA-N	323.437	1.942	50	20	DDGD	
COc1ccc(O[C@H](C)CNC(=O)NNC(=O)C(C)(C)C)cc1	743597970	GRVISKREKVBRTA-LLVKDONJSA-N	323.393	1.839	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)[C@H](C)CN1CCCCC1	749759356	SBXZTDJFJVSBNW-VXGBXAGGSA-N	300.472	1.402	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2C[C@H]2C2CCC2)c(OC)c1	844374658	CPGBROJVGPJISG-UONOGXRCSA-N	318.373	1.901	50	20	DDGD	
O=C(NNc1ncncc1F)[C@H]1CCN(Cc2ccccc2)C1	848123237	WFYXXOICVGAGIJ-ZDUSSCGKSA-N	315.352	1.581	50	20	DDGD	
Cc1noc(C(F)F)c1C(=O)NNC(=O)Cc1ccncc1	747323671	GLISIEUKCRNMOT-UHFFFAOYSA-N	310.260	1.319	50	20	DDGD	
CC(=O)c1ccc(CC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	843646926	ROMPWDJOXXYXCY-RISCZKNCSA-N	304.346	1.004	50	20	DDGD	
C=C(C)CNC(=S)NNC(=O)CCCNC(=O)C(C)(C)C	915598352	AKFSQQDGTNZVPD-UHFFFAOYSA-N	314.455	1.000	50	20	DDGD	
CO[C@@H](C=NNC(=O)Cc1c[nH]c2ccccc12)[C@H]1CCOC1	841612691	MWDVIINXFWCKHL-LRDDRELGSA-N	315.373	1.864	50	20	DDGD	
O=C(Cn1ccc2ccc(F)cc21)NNC(=O)[C@H]1CCCCO1	843600547	FBIKEWGFPRPTCJ-CQSZACIVSA-N	319.336	1.497	50	20	DDGD	
CC(C)O[C@@H]1CCCN(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)C1	846719439	XQQYFAXYOHVEJU-YNEHKIRRSA-N	313.398	1.042	50	20	DDGD	
COC(=O)[C@H](C)n1cccc1C=NNC(=O)[C@@H]1CCO[C@H]1C	842562748	SANKWYQGWJAAPC-GMXVVIOVSA-N	307.350	1.097	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H]1CCN(Cc2ccccc2)C1	847402174	YVYJPFLHRCFNLS-CQSZACIVSA-N	304.394	1.247	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C1CCCN2CCCC[C@@H]12	848404566	VPGOHGUBINMZRI-ZDUSSCGKSA-N	318.377	1.130	50	20	DDGD	
COC(=O)[C@H](NNC(=O)[C@H]1CCO[C@H]1C)c1ccc(F)cc1	843288753	GOSRAWOLVUXSRK-TVYUQYBPSA-N	310.325	1.086	50	20	DDGD	
C[C@@H](O)CN(CC(=O)NNC(=O)C(C)(C)C)C1CCCCC1	744393052	BCJYYVOAKCJLGT-GFCCVEGCSA-N	313.442	1.195	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc(Cl)c(Cl)c1	843642931	YTUFFELEAGFYBQ-SVRRBLITSA-N	318.160	1.574	50	20	DDGD	
COc1ccc(NC(=O)NNC(=S)NC2CCOCC2)cc1	741854300	JLDRTOFTVADVMY-UHFFFAOYSA-N	324.406	1.375	50	20	DDGD	
Cc1cccc(CC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1Cl	843660979	YRSOLFYTDUJGOD-CMPLNLGQSA-N	310.781	1.763	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)c2ccc[nH]2)c1-c1ccccc1	756796920	JTUONUZTWFKQKB-UHFFFAOYSA-N	323.356	1.973	50	20	DDGD	
Cn1ccnc1[C@@H]1CCN(C(=O)NNC(=O)C2CCCC2)C1	753354525	JSJKCLKQQRTGPM-GFCCVEGCSA-N	305.382	1.140	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cn[nH]c2)C1(CC)CC	858269782	MMUAQSOYRNCHID-VXGBXAGGSA-N	323.397	1.338	50	20	DDGD	
COCCCOCCC(=O)NNc1ccc(F)c([N+](=O)[O-])c1	857182729	NHSSBBLHUIXYTI-UHFFFAOYSA-N	315.301	1.620	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)C/C(C)=C\c1ccccc1	755194701	KIMHHAVOZPYTNM-YBEMTRGBSA-N	303.406	1.968	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cnc([C@H](C)O)s2)n1	857459902	SWHPQLFDOXDBBJ-ZETCQYMHSA-N	309.351	1.060	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)N[C@@H]2CCOC2)c1C	752704424	NKDGVCOTKGKSSC-QWHCGFSZSA-N	321.377	1.190	50	20	DDGD	
C#CCCOc1ccc(C=NNC(=O)NCCCOC)cc1	920831402	JACFIKGQKKCWOB-UHFFFAOYSA-N	303.362	1.758	50	20	DDGD	
C[C@@H]1CCS(=O)(=O)CCN1C[C@@H](CBr)C1CC1	859278274	OFHKAKWDSNKDEW-ZYHUDNBSSA-N	324.284	1.917	50	20	DDGD	
O=C(CO)NNC(=O)c1cc(-c2ccco2)nc2ccccc12	753720570	OLDLMCJNHASWFB-UHFFFAOYSA-N	311.297	1.248	50	20	DDGD	
CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1cccc(C)c1	920382518	YVTAKBNUXSOFCI-ZDUSSCGKSA-N	309.391	1.205	50	20	DDGD	
CCC[C@@H](CNC(=O)NNC(=O)c1cccc(F)n1)OCC	858625072	PEDIFNNWOGESRN-JTQLQIEISA-N	312.345	1.370	50	20	DDGD	
N#Cc1ccc(NNC(=O)CCCCCNC(N)=O)cc1Cl	753306448	NFPHAQCWONUDCC-UHFFFAOYSA-N	323.784	1.883	50	20	DDGD	
C[C@@]1(C2CC2)NC(=O)N(C[C@@]2(C)C[C@H]2Br)C1=O	857227530	OZRVFCMTWGBRNH-FXAINCCUSA-N	301.184	1.880	50	20	DDGD	
C[S@@](=O)c1cccc(NC(=O)NNC(=O)CC(F)(F)F)c1	756525826	NCKWWIUDWXNQRF-OAQYLSRUSA-N	323.296	1.529	50	20	DDGD	
CC[C@@H](CN1CCCC1)NC(=O)NNC(=O)c1ccccc1F	758848319	VXWNUMBFZCTSBR-LBPRGKRZSA-N	322.384	1.644	50	20	DDGD	
O=C(NNC(=O)[C@]1(C(=O)O)C[C@H]2CC[C@H]1C2)c1ccccc1	852944668	QBKIFEYWJBOMNJ-PKWAYOAASA-N	302.330	1.339	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)OCC(F)(F)F)c(OC)c1	856027008	VHQHAQPXESMPFX-UHFFFAOYSA-N	322.239	1.637	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](C)[C@@H]1CCO	852458314	FBPQHHOLKSBGEC-RDBSUJKOSA-N	313.442	1.051	50	20	DDGD	
CN(C)c1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cc1	853387059	HWLVCUAVPNNZDE-CVEARBPZSA-N	316.405	1.066	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C	854919775	FGBJELXGOKDHNL-DTWKUNHWSA-N	318.443	1.003	50	20	DDGD	
CC(C)(C)[C@H](NC(=O)NC[C@@]1(C)C[C@@H]1Br)C(N)=O	856955050	VEWDADPRSOELOX-JOAULVNJSA-N	320.231	1.359	50	20	DDGD	
C[C@H](N)CCNC(=O)NNC(=O)NCc1ccc(Cl)cc1	857113206	PRIIKGWZGTZAGX-VIFPVBQESA-N	313.789	1.091	50	20	DDGD	
CCOc1cc(NC(=O)NNC(=O)c2ccc[nH]2)ccc1OC	755966544	XEWRDOZTSXXHEE-UHFFFAOYSA-N	318.333	1.889	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(OC(C)C)c(C(C)=O)c1	854929029	WOQDVJDMUFHVOB-UHFFFAOYSA-N	323.418	1.757	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2cnc3[nH]nnc3c2)c1	755715753	VTRKNZSBUJDVCU-UHFFFAOYSA-N	314.696	1.030	50	20	DDGD	
COc1cc(C)cc(CNC(=O)NNC(=O)CC(F)(F)F)c1	752686991	OWLPIDWEQGREOF-UHFFFAOYSA-N	319.283	1.786	50	20	DDGD	
COC(=O)N(C)NC(=O)C(F)(F)c1cnc(Cl)c(C)c1	935908601	MBYAOKNGGBRLPD-UHFFFAOYSA-N	307.684	1.865	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1ccc(C#N)s1	762450376	UFNLMCFLODYURT-UHFFFAOYSA-N	313.342	1.494	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	768337806	AAGIJTUTBWJGSF-ZDUSSCGKSA-N	318.333	1.144	50	20	DDGD	
N#CC1=CCN(C(=O)c2cn(Cc3cccc(F)c3)nn2)CC1	767176526	FQKORHMWWDPUDK-UHFFFAOYSA-N	311.320	1.761	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C=NNC(=O)[C@H]2CCCCO2)c1C	863116321	MVHRVIGXKQBEAM-CYBMUJFWSA-N	321.377	1.827	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H]1CCNC2(CCC2)C1	866777106	GHJCZMKSYUHFQX-LLVKDONJSA-N	308.875	1.846	50	20	DDGD	
O=C(NN=Cc1cc(Cl)cc(F)c1O)N1CCOCC1	768364582	KNCBHPBLIZBKJY-UHFFFAOYSA-N	301.705	1.560	50	20	DDGD	
COC[C@@H](NC(=O)[C@@H](Br)C(C)(C)C)C(=O)OC	768391497	WRFKHWJRPKTDJY-HTQZYQBOSA-N	310.188	1.100	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1cnc(Cl)cc1C(F)(F)F	864091455	WPQFZPCXZCLIMC-UHFFFAOYSA-N	317.676	1.083	50	20	DDGD	
O=C(NCCOCC(F)(F)C(F)F)NNC(=O)C1CCC1	764836517	SHZMUNYNRMJVDE-UHFFFAOYSA-N	315.267	1.034	50	20	DDGD	
O=C(NCc1cnn(CC(F)(F)F)c1)NNc1ccccn1	763680227	FYKVPNDCQCVWAC-UHFFFAOYSA-N	314.271	1.667	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2COCO2)cc1	861964327	HSSFFIBRWJCUBB-MYWXAZLQSA-N	302.330	1.481	50	20	DDGD	
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)NC(C)C	765420789	XMUQSZJRNLLGRU-GFCCVEGCSA-N	322.365	1.902	50	20	DDGD	
Cn1nc(C2CCOCC2)cc1NC(=O)NNC(=O)C1CCC1	861516180	AVMIHVGAEPIUBI-UHFFFAOYSA-N	321.381	1.267	50	20	DDGD	
CC(=O)Nc1ccccc1CC(=O)NN=c1cc[nH]cc1Cl	768207691	PUODQOKJVUHINJ-UHFFFAOYSA-N	318.764	1.801	50	20	DDGD	
COc1ccccc1SCC(=O)NN=Cc1cn(C)nn1	761273490	QVBOWEUBTAJSKM-UHFFFAOYSA-N	305.363	1.066	50	20	DDGD	
CCCc1n[nH]cc1C(=O)NNC(=O)Cc1ccccc1OC	1117679562	VOKQFADKSAXPOJ-UHFFFAOYSA-N	316.361	1.375	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NC[C@H](O)CC(C)C)cc(C#N)n1C	762473092	LHIIVEHBDSDJBB-SZCQRLSZSA-N	314.389	1.635	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1nc(C2CC2)cs1	1118185442	CMPOTTYLUBKVLV-PSASIEDQSA-N	324.406	1.276	50	20	DDGD	
CCOc1c(Cl)cc(C=NNC(=O)COC)cc1OC	761816244	DZUBKYLCZWDTIF-UHFFFAOYSA-N	300.742	1.844	50	20	DDGD	
CCC(=NNC(=O)c1cn[nH]c1)c1cccc(OC)c1OC	872392173	HODJUVPGMIAEAC-UHFFFAOYSA-N	302.334	1.971	50	20	DDGD	
CCC1(C(=O)NNC(=O)Cc2ccc(F)cc2)CCOCC1	778539712	HGPSSOPFXANDID-UHFFFAOYSA-N	308.353	1.722	50	20	DDGD	
CCOC(=O)C1(CNC(=O)NNc2ccc(Cl)nn2)CC1	770565546	ZTVSFKYIGQZNLV-UHFFFAOYSA-N	313.745	1.099	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cc[nH]1	875144527	QIZKQZMBQUFYMJ-TZMCWYRMSA-N	305.426	1.558	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@]2(C)CCNC2=O)c(C)c1	873759918	HLPMSEFLUIHSAQ-HNNXBMFYSA-N	320.418	1.147	50	20	DDGD	
O=C(NN=CC(F)(F)C(F)(F)F)[C@@H]1CN2CCC[C@@H]2CO1	872388056	AQCLQSWGVKULLL-SFYZADRCSA-N	315.242	1.149	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2csc(O)n2)c1	1116872547	HMGXUPQURWKKBT-UHFFFAOYSA-N	313.360	1.009	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@](C)(O)C(C)C)cc1C	770211989	LJGIFKSECSIXRK-MRXNPFEDSA-N	308.378	1.237	50	20	DDGD	
Cc1nc(N)c2c(C)c(C(=O)NNC(=O)C3CC3)sc2n1	777840845	NTFPUUCFRHZUII-UHFFFAOYSA-N	305.363	1.061	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc2c(s1)CCC2	771843848	BHBTVDWDNBJCLH-QMMMGPOBSA-N	310.375	1.340	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NOC2CCCCC2)c1	777408301	OTZIXUKCRNBNDX-UHFFFAOYSA-N	321.377	1.969	50	20	DDGD	
Cn1ncc(C(=O)NNc2cccnn2)c1Cc1ccccc1	770511969	GNIOJVWEFBZCCI-UHFFFAOYSA-N	308.345	1.558	50	20	DDGD	
CCOC(=O)NCC(=O)NNC(=S)Nc1cc(C)ccc1C	873754661	NOGRJXKLPOWODL-UHFFFAOYSA-N	324.406	1.367	50	20	DDGD	
C#CCOCCNC(=O)NNc1ccccc1OC(F)(F)F	779656713	HYEVYROMTWLOCO-UHFFFAOYSA-N	317.267	1.861	50	20	DDGD	
CC(=NNC(=O)NCC1CC1)c1cc(C(=O)O)c(C)nc1C	776723082	BYBMJSKUMQINCM-UHFFFAOYSA-N	304.350	1.830	50	20	DDGD	
COC(=O)Cn1cccc1C=NNC(=O)CNc1ccccc1	776184171	YVPIUDCZQZJCRV-UHFFFAOYSA-N	314.345	1.223	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)COc2ccccc2C=O)n1	773862007	FSIRWBLNLPMMRD-UHFFFAOYSA-N	321.724	1.047	50	20	DDGD	
Cc1cc([C@@H](C)NC(=O)NNC(=O)c2cccnn2)c(C)s1	883118956	KVLUOILLFGLOMT-SECBINFHSA-N	319.390	1.860	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1CCO[C@@H](C(CC)CC)C1	779394571	DJJDFRXCPWQIMK-QWHCGFSZSA-N	315.414	1.337	50	20	DDGD	
CCCN(Cc1ccccc1)C(=O)NNC(=O)c1cccnn1	883849364	AJBJWZXRYZIQGC-UHFFFAOYSA-N	313.361	1.743	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1nnn(-c2ccccc2)c1C	887142195	ZMVBTFVVLLYQOV-UHFFFAOYSA-N	311.345	1.140	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)CCN1C(=O)CCC1=O	885124343	SSIJTYHHAQFAQZ-UHFFFAOYSA-N	309.753	1.631	50	20	DDGD	
Cc1csc(CC(=O)NN=C2CCOC3(CCOCC3)C2)n1	884407862	PQCHYYJHOZCKPH-UHFFFAOYSA-N	323.418	1.826	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)CCCCl)C[C@H](C(F)(F)F)O1	881959870	DIPMGGFQRMGNHZ-JGVFFNPUSA-N	309.737	1.597	50	20	DDGD	
CC(C)[C@H]1C[C@@H](CC(=O)NNc2ccnc(N(C)C)n2)CCO1	782118792	WFNQLDJPMLWZBK-QWHCGFSZSA-N	321.425	1.827	50	20	DDGD	
O=C(CSc1nnc2ccccn12)NNc1ccccn1	782775054	XJRMZHPLXPHJDM-UHFFFAOYSA-N	300.347	1.360	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-]	786679708	BVXNJRXIIVSHNM-LFYBBSHMSA-N	315.285	1.597	50	20	DDGD	
CC(C)(C)C(=O)N=c1cc[nH]cc1C=NNC(=O)C(C)(C)C	783827408	ODGNTEYBUMOJPF-UHFFFAOYSA-N	304.394	1.984	50	20	DDGD	
Cc1cnc(NC(=O)C(=O)NNc2ccc(Cl)nc2)s1	784870536	XLCATLHDYOSJTR-UHFFFAOYSA-N	311.754	1.582	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1conc1C(F)(F)F	899996962	ADMFBSSWJWAQBP-UHFFFAOYSA-N	310.301	1.601	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNc2cccc(OC)n2)cn1C	780593157	MFRSUUBOPWTKMF-UHFFFAOYSA-N	319.321	1.364	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)/C=C\c1cccc(Cl)c1	782478203	JOKYMDVDIJZMMD-FPLPWBNLSA-N	317.798	1.806	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNC(=S)NC(C)(C)C	899992833	MMDGDFVTGUSDFU-GZMMTYOYSA-N	309.439	1.369	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1cc2c(cc1OC(F)F)OCO2	785461599	NIMXBGCEYVQPCT-UHFFFAOYSA-N	316.260	1.238	50	20	DDGD	
COCc1nc(C(=O)NNc2nc3ccccn3n2)cs1	791260199	JFHAFHSSYYEEDR-UHFFFAOYSA-N	304.335	1.089	50	20	DDGD	
CCCC1(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)CC1	798306961	DTBZNZVTPYIWMH-UHFFFAOYSA-N	317.389	1.970	50	20	DDGD	
N#Cc1cccc(-n2ccc(C(=O)NNC(=O)NCC3CC3)n2)c1	798932197	SXBAIGUOQLCNGD-UHFFFAOYSA-N	324.344	1.098	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@@H]1Cc2ccc(F)cc21	793466411	FSPZWZOBILIWHT-CQSZACIVSA-N	316.307	1.995	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42	793202610	ZYVKTBFYFULLGY-BOXDVVJRSA-N	303.406	1.511	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)ccc1O)c1cc(C2CC2)no1	799831410	HFFWTFPIBVFJCM-UHFFFAOYSA-N	321.720	1.986	50	20	DDGD	
CN(C)c1noc(CNC(=O)[C@H](Br)C(C)(C)C)n1	793852992	ZVICIKODOQIDMW-QMMMGPOBSA-N	319.203	1.561	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)CCOc2ccccc2)ccc1C#N	1318191598	FRNRJSIGUOXRCV-UHFFFAOYSA-N	324.340	1.492	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2ccccc2[N+](=O)[O-])n1	1319153291	JZANRSLKFUOCTL-UHFFFAOYSA-N	315.289	1.106	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2cc(Cl)ccn2)n1	1319895893	YZSPAEWZSOAZQC-UHFFFAOYSA-N	305.725	1.247	50	20	DDGD	
CN(CC(=O)NNc1ccn(C)n1)C(=O)OCc1ccccc1	1328770774	IZFGTMPPLJQCEO-UHFFFAOYSA-N	317.349	1.132	50	20	DDGD	
O=C(CCO)NNC(=O)N[C@H](C1CCCCC1)C(F)(F)F	1324157908	FBHRYBAOKRRBES-SNVBAGLBSA-N	311.304	1.210	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H](C)C2(OC)CCC2)cc1	1327375826	KUTDAFDKXZKIMH-LLVKDONJSA-N	321.377	1.597	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1cc(Cl)c(F)c(Cl)c1	1321907229	XZXJOQDOYGUAQX-UHFFFAOYSA-N	310.112	1.668	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1nc(C2CC2)n(-c2ccccc2)n1	1322324457	LYADBOIUQOHAAM-UHFFFAOYSA-N	311.345	1.316	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNC(=S)NC(C)C)cc1OC	1329819069	NYRBVKSZGBWJNR-VURMDHGXSA-N	323.418	1.621	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C1CCNCC1)c1ccccc1Cl	1326122954	MGVBGSGUBBLIQX-JTQLQIEISA-N	324.812	1.731	50	20	DDGD	
O=C(CO[C@@H]1CCOC1)NNc1ccc(OC(F)(F)F)cc1	1329162769	ZKTSNHHMWOKYRA-LLVKDONJSA-N	320.267	1.834	50	20	DDGD	
Cc1cc([C@H](C)NC(=O)NNC(=O)C2CCOCC2)c(C)o1	1331933835	SKODYJGVXLZEPG-JTQLQIEISA-N	309.366	1.714	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@H]2CCCCS2)cc1	1337695855	UHPHUKPCGGMHMZ-CYBMUJFWSA-N	323.418	1.925	50	20	DDGD	
O=C(NN=Cc1ccnn1CC1CC1)c1n[nH]c2c1CCCC2	1261652343	GXRPQAKWXJJCKO-UHFFFAOYSA-N	312.377	1.659	50	20	DDGD	
C=CC[C@H](CC)NC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1347953337	UJSWNHSKRFSJPN-OPQQBVKSSA-N	317.227	1.747	50	20	DDGD	
CN(CCCC(=O)O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1341412735	CDQRQNOWRCKMIY-GZMMTYOYSA-N	307.188	1.666	50	20	DDGD	
C[C@@H](NC(=O)C1CCC(Cl)CC1)[C@@H]1CN(C)CCN1C	1519587350	OWSVNQHKHZKVBF-RYSNWHEDSA-N	301.862	1.535	50	20	DDGD	
Cc1nc(CNC(=O)C2CCC(Cl)CC2)sc1C(N)=O	1521731670	CVZZPPRJLNRXIN-UHFFFAOYSA-N	315.826	1.964	50	20	DDGD	
C[C@@H](OCc1ccncc1)C(=O)NNc1ccc(C(=O)O)cn1	1604425376	KRDKSSTZVKPJPI-SNVBAGLBSA-N	316.317	1.223	50	20	DDGD	
O=C(NNc1cccc(F)c1C(=O)O)c1ncc(F)cc1F	1608483064	RBOADKVHPGGMBZ-UHFFFAOYSA-N	311.219	1.954	50	20	DDGD	
Cc1c(NNC(=O)NC[C@H]2CC[C@@H](C)O2)cccc1C(=O)O	1600050825	JVWACSOMBSODQE-MWLCHTKSSA-N	307.350	1.887	50	20	DDGD	
O=C(O)CC1CC(NC(=O)NNc2cc(F)c(F)cc2F)C1	1608692220	TYWBEWUBLXMCJC-UHFFFAOYSA-N	317.267	1.983	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2ccc([N+](=O)[O-])o2)cc1	1602128998	JRZKBUUONGXMAW-UHFFFAOYSA-N	305.246	1.572	50	20	DDGD	
O=C(O)c1ccnc(C(=O)NNc2nccnc2C2CCC2)c1	1602482417	YFVJWIPFPZUATC-UHFFFAOYSA-N	313.317	1.594	50	20	DDGD	
NC(=O)c1c[nH]c(C(=O)NNc2ccc(C(=O)O)c(Cl)c2)c1	1601164331	YOAKQMVXKFSSCX-UHFFFAOYSA-N	322.708	1.222	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@]2(C(=O)O)CC2(C)C)cc1	1605301485	MVLOESYSEWGQBO-INIZCTEOSA-N	320.345	1.022	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@H]2C[C@@H](C(=O)O)C2)cc1C	1605572546	PMUSRNCWQLFARP-PHIMTYICSA-N	320.345	1.726	50	20	DDGD	
CC(Cc1ccsc1)=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549317391	KYSVYVHONPAWRK-KBPBESRZSA-N	307.419	1.646	50	20	DDGD	
CN(NC(=O)c1cccc(CC(=O)O)c1)C(=O)OC(C)(C)C	1610126465	RDLIGXAGANZETD-UHFFFAOYSA-N	308.334	1.825	50	20	DDGD	
CC(CCN(C)C)=NNC(=O)[C@H]1CCCO[C@@H]1c1ccnn1C	1549322606	ZMZIFANVQQRJNJ-ZFWWWQNUSA-N	321.425	1.332	50	20	DDGD	
CC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)OC)C2	1800077393	KQFFRXVFOXTMRM-LBELIVKGSA-N	316.829	1.677	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@@H]2CCC[C@H](C(=O)O)C2)c1	1610625894	HRKJIDCABWBZCW-ZJUUUORDSA-N	322.752	1.941	50	20	DDGD	
COc1ccc(C(=O)NN=CCC(C)(C)C(=O)O)cc1OC	1610315618	SQGLETLZVMADFA-UHFFFAOYSA-N	308.334	1.920	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@@H]2C=NNC(=O)c2ccon2)cn1	1553288373	ZGWAWXWOXGLSNK-ZWNOBZJWSA-N	303.322	1.292	50	20	DDGD	
CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](F)Cl)CC2	1814210286	HNEFKMCWYDYRPR-RCOVLWMOSA-N	305.762	1.609	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)[C@@H]3CCCNC3)cc2s1	1579871172	HPQGAHLDNPVRKI-LLVKDONJSA-N	318.402	1.365	50	20	DDGD	
CCC(CC)(CN)C(=O)NNC(=O)c1ccc(OC)c(OC)c1	1577051260	PDHWKBUGSLIUKD-UHFFFAOYSA-N	323.393	1.230	50	20	DDGD	
CCN([C@@H]1CCNC1)S(=O)(=O)c1ccc(CCCl)cc1	1577663191	KYPRMEYLYAXVFM-CYBMUJFWSA-N	316.854	1.840	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)N[C@H]2C[C@H](C(=O)O)C2)nn1	1588741178	ROTIYDQRGORVRP-KYZUINATSA-N	307.354	1.263	50	20	DDGD	
NCc1ccc(C(=O)NNc2cc(Br)ncn2)o1	1580336747	LWRXFGKWQIFXNU-UHFFFAOYSA-N	312.127	1.048	50	20	DDGD	
O=C(CC1CCC1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843367472	FTGNLWYVHSMTJA-GFCCVEGCSA-N	302.777	1.914	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(-c3nn[nH]n3)ccc2C)ncn1	1581034597	WNNHZVMDADBRRH-UHFFFAOYSA-N	310.321	1.030	50	20	DDGD	
COc1cccc(C(=O)NNc2ccc(CC(=O)O)cc2)c1O	1599642626	YBEVPWGFVHGWOX-UHFFFAOYSA-N	316.313	1.785	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C(C)(C)C)c1ncc(C(=O)O)s1	1593101358	DEJBTLIXVBBAAZ-ZCFIWIBFSA-N	314.367	1.279	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N[C@H](CC(=O)O)C(C)(C)C	1591111217	GJFHLXYATPVTTF-WDEREUQCSA-N	315.414	1.047	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC[C@@]2(C(=O)O)CCC[C@@H]12	1590701799	SOFQTQLJQQUSED-MFKMUULPSA-N	323.842	1.910	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(C(=O)O)o2)cc1	1599483538	BHJKYSNIIHOXNY-UHFFFAOYSA-N	304.258	1.061	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cc(C(=O)O)c(C)n1C	1596263126	NRTWCUHZLHSGMA-UHFFFAOYSA-N	308.382	1.214	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(C(=O)O)c1)[C@@H]1CCCNC1	1593101321	CHHRURZLYQNVAS-CMPLNLGQSA-N	306.366	1.399	50	20	DDGD	
O=C(NN=Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCS1	1593155383	KTJBKIYGGIXNSK-LLVKDONJSA-N	302.363	1.212	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)Nc1ccccc1C(=O)O	1594782694	GUZQMWQLCJWWER-UBHAPETDSA-N	319.317	1.105	50	20	DDGD	
COc1c(O)cccc1C=NNC(=O)c1ccc(C(=O)O)cc1	1776098970	JJZONVPRIQZEOJ-UHFFFAOYSA-N	314.297	1.863	50	20	DDGD	
Cc1noc(CCCC(=O)NNc2ccc([N+](=O)[O-])cc2)n1	150877812	QTWYFAZFMGBTKK-UHFFFAOYSA-N	305.294	1.752	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CS[C@H]1CCO[C@H]1C	163670113	CPJKZAWHGFSFIS-JSGCOSHPSA-N	322.430	1.596	50	20	DDGD	
CC[C@H](Oc1ccccc1C)C(=O)NNC(=O)c1cc(C)n[nH]1	151197963	VDTCRDGJNDVONN-ZDUSSCGKSA-N	316.361	1.645	50	20	DDGD	
O=C(NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)NNC(=O)[C@@H]1CCCO1	155653937	OMFQKAZOVPMHTF-KBXIAJHMSA-N	315.373	1.082	50	20	DDGD	
COc1ccc(NNC(=O)c2cccc(-n3ccnn3)c2)nc1	159269522	IQWUXLQJYHGWOQ-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
C[C@@H](OC1CCCCCC1)C(=O)NNC(=O)c1cccn1C	159292823	QGPMLPRNENKMLA-GFCCVEGCSA-N	307.394	1.914	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N(C)Cc1cccn1C	159961810	LPFUXPSFUSEGLK-UHFFFAOYSA-N	316.361	1.520	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1	274536181	RMNSLTNFAIJTQV-GFCCVEGCSA-N	308.313	1.011	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1cc(S(=O)(=O)CC)ccc1O	7707479	ADZUJVCANPSIDK-MDZDMXLPSA-N	324.358	1.568	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1ccc2c(c1)CCO2	103060292	YUMZKRKCHKONAB-UHFFFAOYSA-N	312.391	1.367	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1nccc2ccccc12	102340016	YXCSANUTBASLCF-UHFFFAOYSA-N	310.313	1.972	50	20	DDGD	
COc1cccc(NC(=S)NNC(=O)c2cnn(C)c2)c1	21376024	GMZLJEYOKCILEX-UHFFFAOYSA-N	305.363	1.060	50	20	DDGD	
O=C(Cc1coc(-c2cccs2)n1)NNC(=O)[C@@H]1CCCO1	106014328	ZZHBKMDNEWOXNK-JTQLQIEISA-N	321.358	1.272	50	20	DDGD	
COC(=O)[C@@H](C)Oc1ccc(/C=C(\C#N)C(N)=C(C#N)C#N)cc1	176953552	PUXXPSHSCRXNEA-ZTFCMROMSA-N	322.324	1.794	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NNC(=O)c1ccc[nH]1	173691125	RMOYHJCILOBBNX-UHFFFAOYSA-N	309.757	1.142	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCc1ccc(OCC#N)cc1	69828500	MCGFBKDWBFPFHK-UHFFFAOYSA-N	320.349	1.828	50	20	DDGD	
Cc1cnc(Cl)cc1C(=O)NNC(=O)NCC(F)(F)F	1351783036	PFERAYYCTVRYDC-UHFFFAOYSA-N	310.663	1.550	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)c1ccc[nH]1)Cc1cccs1	175759403	KNVRRZZSUPVZMK-JTQLQIEISA-N	306.391	1.899	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cc(F)ccc2C)n1	25955804	UFZDZSGLSANVAA-UHFFFAOYSA-N	304.325	1.409	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1	1350778589	NZLJYOVIYXXGBG-VIFPVBQESA-N	308.769	1.688	50	20	DDGD	
CN(C)[C@@H](CNS(=O)(=O)CBr)c1ccco1	126635813	OJSUJHFYSOPMFK-QMMMGPOBSA-N	311.201	1.154	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)CCOc2ccccc2)s1	61477507	BYAHXDZMOXVZBQ-UHFFFAOYSA-N	319.386	1.990	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cnc(Cl)cn2)cc1	178154351	YQUVATSEWKHKIR-UHFFFAOYSA-N	320.736	1.278	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)C[C@H]2CCCO2)o1	69298179	OVAJOYVUSGNEAW-GFCCVEGCSA-N	323.393	1.452	50	20	DDGD	
CC[C@@H]1CCN(CC(=O)NNC(=O)c2ccccc2Cl)C1	125846302	ZSDKJQUMOSTPST-LLVKDONJSA-N	309.797	1.833	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)Nc1ccc2scnc2c1	184728346	JKRSPPDULKJYQF-UHFFFAOYSA-N	316.346	1.415	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(C)n(-c2ccc(F)cc2)n1	183411173	OYZTUKPTGXCYFC-UHFFFAOYSA-N	306.297	1.711	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc2cccnc12	124732622	JOFHDEYSSQMXMI-SNVBAGLBSA-N	314.345	1.367	50	20	DDGD	
CCc1ccccc1S(=O)(=O)NNC(=O)c1cccn1C	187211374	PAHDVGQNMVCXIP-UHFFFAOYSA-N	307.375	1.211	50	20	DDGD	
CN(CC(=O)NNc1ccc(C(C)(C)C)cc1)S(C)(=O)=O	181149718	PVXCRMVXHZOHHI-UHFFFAOYSA-N	313.423	1.319	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1cc(-c2ccc(F)cc2)on1	125611369	BFDSLFOIFYGEPS-UHFFFAOYSA-N	314.276	1.884	50	20	DDGD	
O=S(=O)(CBr)N1CCC([C@@H]2CCCO2)CC1	372639608	NKGVGKRKAZNBDQ-JTQLQIEISA-N	312.229	1.560	50	20	DDGD	
CC(=O)NCCNC(=O)NNc1ccccc1OC(F)(F)F	189950108	VQBSNTLKMJMCQR-UHFFFAOYSA-N	320.271	1.347	50	20	DDGD	
CCC[C@H](C)CC(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12	125734248	VVVDBKRROANUGU-JTQLQIEISA-N	316.361	1.510	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(C(F)(F)F)nc1	73501300	TUGFENRNOJFGRG-UHFFFAOYSA-N	304.297	1.395	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H]1CCOc2ccccc21	132040153	NYXRCDYOUKRTCH-NSHDSACASA-N	300.318	1.495	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H]1Cc2cc(F)ccc2O1	132083965	VBEMLMAPSKQMBQ-LLVKDONJSA-N	304.281	1.071	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)c2ccc(Cl)nc2)cn1	80355781	WVWZTCRKKIEKFS-UHFFFAOYSA-N	304.737	1.442	50	20	DDGD	
CN1CC[C@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)CC1=O	194206428	KFBIARKXOUGCFT-UNJUUPHPSA-N	301.321	1.470	50	20	DDGD	
C[C@H](NC(=O)c1cccs1)C(=O)NNC(=O)CC1CCCC1	195213654	GVKIVEKNEDYXJL-JTQLQIEISA-N	323.418	1.594	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1	134688657	HQERACAWRDOOLN-UHFFFAOYSA-N	312.713	1.602	50	20	DDGD	
CCOC(=O)[C@H]1CCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	194836089	ZTLQMMOFMKACPE-VSKPTYQZSA-N	314.341	1.853	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)C2(O)CCCCC2)cc1	86556180	WPSKATOOPXTOMW-UHFFFAOYSA-N	322.430	1.930	50	20	DDGD	
C[C@@H]1CCCN([C@H](C)CNC(=O)NNC(=O)c2ccc[nH]2)C1	249520776	MNLHVVIOSJXBCZ-VXGBXAGGSA-N	307.398	1.079	50	20	DDGD	
C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	246774395	AYZGJPQGXUXKPH-UHXUPSOCSA-N	317.455	1.192	50	20	DDGD	
Cc1ccsc1C=NNC(=O)CNC(=O)c1cccs1	254490581	YGRLPTHSNIHRFC-UHFFFAOYSA-N	307.400	1.998	50	20	DDGD	
O=C(NNc1ncccn1)N[C@H]1CCO[C@]2(CCSC2)C1	269170456	XQKKTVJNNWHZTF-GXFFZTMASA-N	309.395	1.157	50	20	DDGD	
CC1(CNC(=O)NNC(=O)c2ccc(C#N)cc2)CCOCC1	267849315	PVFPZGNVDZYVIE-UHFFFAOYSA-N	316.361	1.319	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1cc2c(cc1Cl)OCCO2	264328727	MGUARQSQXYYXKG-UHFFFAOYSA-N	311.725	1.674	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1cccnc1N1CCCC1	264725604	LXNHNZWCXHDBNP-UHFFFAOYSA-N	303.366	1.635	50	20	DDGD	
CC(C)n1ccc(C(=O)NNC(=O)CNc2ccccc2)n1	265067632	NEFYVHIYKAOBPE-UHFFFAOYSA-N	301.350	1.337	50	20	DDGD	
CCOC(=O)c1cc(NC(=O)NNC(=O)[C@@H](C)CC)cn1C	273454530	PIRGLNOIKOUAFE-VIFPVBQESA-N	310.354	1.401	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@@H](CO)Cc1ccc(F)cc1	275681552	CDSJHLDSIZHVQJ-CYBMUJFWSA-N	323.817	1.668	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CCc1ncc[nH]1	279195251	LXUSXWMEGAZTJM-SNVBAGLBSA-N	320.324	1.096	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCO[C@@H](C)C1	272079804	MPXNTUCQBWHGOF-GXTWGEPZSA-N	320.389	1.590	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@H]2C[C@H]2C2CCCCC2)cn1	372645433	SMDCSOZWNADECM-STQMWFEESA-N	305.382	1.333	50	20	DDGD	
CSc1ccc(C)c(C(=O)NNC(=O)N2CCN(C)CC2)c1	278787969	ZMYQDGPPDZXOGY-UHFFFAOYSA-N	322.434	1.319	50	20	DDGD	
COc1ccccc1NC(=O)C(=O)NCCSSC	285101746	HESZWXDLEHAVQT-UHFFFAOYSA-N	300.405	1.761	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H]1C(=O)NNc1ccc(OC(F)F)cc1	285718115	JCGNESATTBKLQK-QWRGUYRKSA-N	314.288	1.930	50	20	DDGD	
COCC1(C(=O)NNC(=O)CCc2ccc(OC)cc2)CCC1	284691272	OWZCXDZAJYXWSI-UHFFFAOYSA-N	320.389	1.592	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)c1cccc(N(C)C)c1	280292303	OWCODCGUTBHQLO-NWDGAFQWSA-N	317.389	1.519	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2cc(C3CC3)[nH]n2)c1	298289365	DGECAMWMLKIUEC-UHFFFAOYSA-N	313.361	1.428	50	20	DDGD	
C=CCCCC(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	291342281	WPJOBCUJSFNAHY-UHFFFAOYSA-N	311.407	1.736	50	20	DDGD	
CC(=O)CCC(=O)NNC(=O)c1ccc(Br)s1	298303940	MSTKBZCHJKMERM-UHFFFAOYSA-N	319.180	1.641	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)c2csc(O)n2)cc1	802125070	LXRJFGFILRQARL-UHFFFAOYSA-N	321.362	1.381	50	20	DDGD	
O=C(NNc1nnc[nH]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1	293832959	GQFJJIFQSJXDRP-UHFFFAOYSA-N	303.282	1.044	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)N[C@H](C)CN(C)C(C)C)c1	297531013	ALIJCZZEEIBDPZ-GFCCVEGCSA-N	321.425	2.000	50	20	DDGD	
O=C(Cc1noc2ccccc12)NNC(=O)[C@H]1CCCCO1	295592689	DLXGNHHCLOEAPY-CYBMUJFWSA-N	303.318	1.087	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cn1	294068539	BNGUPKWUIUOTGX-JQWIXIFHSA-N	307.350	1.197	50	20	DDGD	
COCCN(C)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-]	297199203	VXZKRCPIEQBOPC-UHFFFAOYSA-N	319.720	1.539	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)Cn2ccnc2C)c1	297466815	YDTLGLSVYYWAJD-UHFFFAOYSA-N	316.361	1.035	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)CC[C@H]1CCCO1	298294479	DQRRJZCXOBCAKF-GFCCVEGCSA-N	321.377	1.214	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)N[C@@H]2CC2(C)C)cc1C	299097831	WSBYOXILIMBLCF-GFCCVEGCSA-N	318.377	1.371	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)[C@@H]1CCCC12OCCO2	806811077	JJUMWADSGPUKLN-ZDUSSCGKSA-N	313.357	1.643	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@@H]1CCCO1)c1cn(C)c2ccccc12	294678808	PICGOHZTDUFSNM-NHYWBVRUSA-N	315.373	1.608	50	20	DDGD	
C[C@@H]1CC(=O)N[C@H](C(=O)NNC(=O)Nc2ccc(Cl)cc2)C1	294593884	HNUBZFGJZVIYCX-KWQFWETISA-N	324.768	1.407	50	20	DDGD	
CC(C)Cc1nnc(NC(=O)NNc2ncncc2F)s1	292882601	UQOVUWONNUKJSX-UHFFFAOYSA-N	311.346	1.814	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)c2cncs2)cc1	802123553	RRMRMMNWNHKNCG-UHFFFAOYSA-N	305.363	1.676	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNC(=O)NCc2ccco2)c1C	292133835	HAJMDNFWIWIUCR-UHFFFAOYSA-N	319.365	1.186	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1ccnc(-n2cncn2)c1	808248869	VBLLAAGOTQDDAJ-UHFFFAOYSA-N	300.149	1.538	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccc(Br)c(F)c2)n1	803116932	QFGVYONGVUCHDI-UHFFFAOYSA-N	314.118	1.474	50	20	DDGD	
Cc1csc2ncc(C(=O)NNc3cccc(F)n3)c(=O)n12	804766112	JPSQVCVYVUPRMQ-UHFFFAOYSA-N	319.321	1.355	50	20	DDGD	
N#CSCCCNC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O	816538326	NGUSXVVIWKURGW-TXEJJXNPSA-N	323.418	1.272	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2c(Cl)nc(N)n2C)c1	814716400	JMMDXUWIICDAKG-UHFFFAOYSA-N	321.768	1.493	50	20	DDGD	
CN(C)Cc1c(C(=O)NNc2nc[nH]n2)oc2ccccc12	816631277	MCWOWMSTRHAFTL-UHFFFAOYSA-N	300.322	1.369	50	20	DDGD	
C[C@](C#N)(CC(=O)O)C(=O)NNc1cccc(C(F)(F)F)n1	819846353	ATFZVTNUEBLGGN-LLVKDONJSA-N	316.239	1.548	50	20	DDGD	
CC1CC(=NNC(=O)Cc2csc(N3CCOCC3)n2)C1	814770414	CYQVHJRBUSNNLT-UHFFFAOYSA-N	308.407	1.424	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NN=Cc1c[nH]c(C(=O)O)c1	814748314	KCGIODYHLCFXQA-VIFPVBQESA-N	319.292	1.770	50	20	DDGD	
O=C(C[C@H](c1ccccc1)c1ncc[nH]1)NNC(=O)c1ccc[nH]1	816823997	MQASLCBOPPKLIK-CYBMUJFWSA-N	323.356	1.721	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cccc(C)c1)C[C@H](C)OC	812907037	PVHLRABADFQRLJ-ZDUSSCGKSA-N	307.394	1.113	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)c1cccc2ncccc12	812501504	BHTYLJLOGCFLBY-VXGBXAGGSA-N	315.373	1.914	50	20	DDGD	
COc1cccc(NCC(=O)NN=C(C)C[C@@H]2CCC(=O)N2)c1	811634999	IRSKSWJMKKCBNS-ZDUSSCGKSA-N	318.377	1.268	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc2oc(O)nc2n1	816829551	VRAAEBYNTWUYQH-UHFFFAOYSA-N	312.285	1.312	50	20	DDGD	
COC(=O)c1cc(NNC(=O)Cc2cnn(C)c2)ccc1C	816689745	VRKKQKYHQVHHPB-UHFFFAOYSA-N	302.334	1.201	50	20	DDGD	
O=C(Cn1cncn1)NNC(=O)c1c(Cl)cccc1Cl	727794587	ONNNRTRBMUGYLE-UHFFFAOYSA-N	314.132	1.046	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cccc(C(=O)O)c1	814854042	BQZXRKJXAUGLJG-UHFFFAOYSA-N	305.334	1.140	50	20	DDGD	
CC(C)CC(CC(C)C)NC(=O)NNC(=O)C(=O)NC1CC1	729058212	SMSBINCNJVBLNS-UHFFFAOYSA-N	312.414	1.056	50	20	DDGD	
CCc1cc(C(=O)NNc2ccnc(Br)c2)n(C)n1	822025899	OBYORBLVZJFTJD-UHFFFAOYSA-N	324.182	1.897	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]32)n1	820523820	SKPDVCXLFNFLJR-XQQFMLRXSA-N	317.393	1.231	50	20	DDGD	
CCN(CCO)NC(=O)[C@](C)(O)c1cccc(C(F)(F)F)c1	823865528	SWRKKDYMFSPBHB-CYBMUJFWSA-N	320.311	1.258	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@@H]2CCCOC2)cc1	727723873	VBVVHDSPGWUFBZ-GFCCVEGCSA-N	308.403	1.661	50	20	DDGD	
C[C@H]1CCC[C@@]1(C)C(=O)NNC(=O)COc1ccc(C#N)cc1	822195879	LBSGCVTUMOJUNC-YVEFUNNKSA-N	315.373	1.911	50	20	DDGD	
CC(C)OC(=O)CC[C@@H](C)NC(=O)/C(C#N)=C\c1cnn(C)c1	491129903	HVTURKXVMXLMSZ-AISSWFOISA-N	318.377	1.564	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCC[C@@H]1COc2ccccc2O1	491177873	ZMJKODDUBJYBIT-KXXVWKPMSA-N	302.330	1.777	50	20	DDGD	
Cc1cc(C(=O)NN(C)[C@H](C)CO)c(C)n1CC(F)(F)F	823982791	DKBNHJVUPHCOAV-SECBINFHSA-N	307.316	1.625	50	20	DDGD	
CC1CCN(CCCNC(=O)/C(C#N)=C/c2cnn(C)c2)CC1	491163974	ZAWPGFALMRKGAB-MHWRWJLKSA-N	315.421	1.565	50	20	DDGD	
CCCn1cc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cn1	825356683	DUULOAPCKJAVJF-UHFFFAOYSA-N	312.337	1.230	50	20	DDGD	
COc1ccc(C(=O)N2CC[C@@H](B(O)O)C2)c(OC(C)C)c1	585064699	IRMHLEXYSCKWSS-LLVKDONJSA-N	307.155	1.171	50	20	DDGD	
Cc1ccc([C@](O)(CC(=O)NNC(=O)C2CC2)C(F)(F)F)o1	820147993	BVJMLIUVPVCROC-GFCCVEGCSA-N	320.267	1.285	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1cn(-c2cccnc2)nn1	825670406	NFLYOLJQUZPGQT-UHFFFAOYSA-N	314.349	1.004	50	20	DDGD	
Cc1cccnc1CNC(=O)NNC(=O)c1ccccc1F	729622352	ZTDAARGUCHDKQP-UHFFFAOYSA-N	302.309	1.673	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@@H](CO)c1ccc(OC)cc1	491007130	FRCASUSFOOHXDW-FZDNWWAKSA-N	304.346	1.331	50	20	DDGD	
COc1ccc(C)cc1CCNCc1ccc(B(O)O)cc1F	585014560	VTPPBJHVGSEMTE-UHFFFAOYSA-N	317.169	1.155	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCC1(c2ccccc2)CC1	825566087	DYADULGSSLQCQR-TZMCWYRMSA-N	317.389	1.474	50	20	DDGD	
C[C@H](CC(=O)N1CC[C@H](B(O)O)C1)C(=O)c1cccc(F)c1	585064929	CBGOXUGCUCFPPB-PWSUYJOCSA-N	307.130	1.110	50	20	DDGD	
O=C(c1ncsc1-c1ccccc1)N1CC[C@H](B(O)O)C1	585065295	WUINYIYURJCTID-NSHDSACASA-N	302.164	1.499	50	20	DDGD	
CO[C@]1(C(=O)NNC(=O)Nc2ccccc2C)CCSC1	907968269	UTQPLYWYDJNALT-CQSZACIVSA-N	309.391	1.670	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	823964523	AYKGYRIXFWFHTG-UKRRQHHQSA-N	323.412	1.382	50	20	DDGD	
CCN(CCO)NC(=O)c1sc(N2CCCC2)nc1Cl	823852837	QKOBAOPWOJCFED-UHFFFAOYSA-N	318.830	1.356	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc(Cl)cc1F	901966148	NDGZEKHOIZOGQE-UHFFFAOYSA-N	318.757	1.592	50	20	DDGD	
C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(B(O)O)cc1	584990934	OTSTVSQRKLGUDT-LBTNJELSSA-N	323.201	1.773	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc(F)c(F)c(F)c1F	732083523	WMWKHORDCUWGDM-UHFFFAOYSA-N	316.214	1.349	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCN(C(=O)O)CC1	738382669	OFNGFOOPCLKRAU-UHFFFAOYSA-N	314.773	1.175	50	20	DDGD	
CCc1noc(COCC(=O)NNc2ccc(C)c(F)c2)n1	826541960	WZNOYXFJRKLNQT-UHFFFAOYSA-N	308.313	1.739	50	20	DDGD	
COc1cc(C(=O)NNc2cccnn2)cc2c1O[C@@H](C)C2	736710629	IARWHFLZLIMNJV-VIFPVBQESA-N	300.318	1.566	50	20	DDGD	
O=C(NN=Cc1cnn(CC2CCC2)c1)c1cccc(F)n1	901266215	MWFNYQQLGUTCJF-UHFFFAOYSA-N	301.325	1.981	50	20	DDGD	
Cc1nc(C=NNC(=O)[C@H](C)CN2CCOCC2)sc1C	901154666	FTWLRVDLNYVWBS-SNVBAGLBSA-N	310.423	1.178	50	20	DDGD	
O=C(CN(CC[C@H]1C[C@H]2CC[C@H]1C2)C1CC1)NNC(=O)C1CC1	733194237	CRGIBXOALIUKGK-QEJZJMRPSA-N	319.449	1.835	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	490813777	REQAWAZDGPENPC-JPQYHBGPSA-N	311.382	1.850	50	20	DDGD	
Cc1ncsc1C(=O)NN=C1CCN(CCCC(=O)O)CC1	738892738	OMOPFICKLKKLEN-UHFFFAOYSA-N	324.406	1.498	50	20	DDGD	
COc1ccc2[nH]cc(C=NNC(=O)C(=O)NC(C)C)c2c1	730145424	YPOGBKJWNUSJDI-UHFFFAOYSA-N	302.334	1.151	50	20	DDGD	
CC(C)(CC(=O)NNc1ncccn1)NC(=O)OC(C)(C)C	739691711	XKLOFAYZWNIIME-UHFFFAOYSA-N	309.370	1.613	50	20	DDGD	
COC(=O)NNC(=O)c1occc1COc1cccc(C#N)c1	495406145	ATUAEAAJWYTEQJ-UHFFFAOYSA-N	315.285	1.731	50	20	DDGD	
COC[C@@H](C)CNC(=O)NNc1ccc(C(=O)OC)c(F)c1	838484108	WPUOBDHSMWSBOK-VIFPVBQESA-N	313.329	1.521	50	20	DDGD	
CCCNC(=O)c1ccc(NC(=O)NNC(=O)OCC)cc1	494571338	GGWYYFYZFRFTEL-UHFFFAOYSA-N	308.338	1.609	50	20	DDGD	
C[C@]1(CNC(=O)NNc2cc(F)c(F)c(F)c2)CCC(=O)N1	838735752	VNUUQSLRWUUCMO-CYBMUJFWSA-N	316.283	1.399	50	20	DDGD	
CO[C@H]1COCC[C@H]1CNC(=O)NNc1ncc(F)cc1F	838658760	KXMLWRGMQZRTPJ-KWQFWETISA-N	316.308	1.037	50	20	DDGD	
N#Cc1ccc2c(c1)CCC[C@H]2NCc1cccc(B(O)O)c1	585047428	CBDZWKDWUQWHKT-GOSISDBHSA-N	306.174	1.405	50	20	DDGD	
CCOC(=O)[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H]2Br)C1	834863630	YFNYTNIJKUEKTB-VDDIYKPWSA-N	304.184	1.572	50	20	DDGD	
CC(=NNC(=O)[C@H]1COc2ccccc2O1)c1nccs1	732621728	GWLAJJSIPOQZJM-GFCCVEGCSA-N	303.343	1.823	50	20	DDGD	
CO[C@@H]1COCC[C@H]1CNC(=O)[C@H](Br)C(C)(C)C	836814900	MSUHDVNCFJOBCY-AXFHLTTASA-N	322.243	1.964	50	20	DDGD	
COc1ccc(C(=O)NNc2cccnn2)c(OC)c1OC	736701813	IKXFOBDKYFZJMR-UHFFFAOYSA-N	304.306	1.259	50	20	DDGD	
CC[C@@H](Cc1ccc(Cl)cc1)NCc1ccc(B(O)O)o1	585023392	KPURHEXYFYWFNK-ZDUSSCGKSA-N	307.586	1.724	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@H]2CCc3ccccc3O2)n1	839688616	QHTUDDSFDBQIAZ-CYBMUJFWSA-N	313.361	1.380	50	20	DDGD	
O=C(c1c(O)cc(Cl)cc1Cl)N1CC[C@@H](B(O)O)C1	585078981	QTPOQDXPQPRSAM-ZCFIWIBFSA-N	303.938	1.388	50	20	DDGD	
CSSCCNC(=O)N1CCC2(CC1)OCCCO2	836448263	QIPHDQLOZJXVSU-UHFFFAOYSA-N	306.453	1.936	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@H]1CCC[C@@H](C(=O)O)C1	833118625	LYNWZIKOTZXUHU-NWDGAFQWSA-N	322.336	1.407	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1	910146454	DOUNNYJJUXBFMF-OCCSQVGLSA-N	320.393	1.027	50	20	DDGD	
O=C(NC1CC1)c1cccc(CNS(=O)(=O)CCl)c1	830018641	PSSOEZWXRMOAAL-UHFFFAOYSA-N	302.783	1.195	50	20	DDGD	
COc1ccc(-c2ncc(C(=O)NN(C)C[C@@H](C)O)s2)cc1	910162323	DKPAKPVGXCHCHG-SNVBAGLBSA-N	321.402	1.776	50	20	DDGD	
CC(=NNC(=O)NC(C)C)c1ccc(N2CCOCC2)cc1	745012841	OUQBZLXWVZOYMN-UHFFFAOYSA-N	304.394	1.955	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)Cc2ccccc2F)CCN1C	745855075	RERDGSVHNCTHBN-WCQYABFASA-N	322.384	1.181	50	20	DDGD	
CC(=NNC(=O)c1ccccn1)c1cccc(-n2cnnn2)c1	916247108	ZNSXLBMGSRGRNN-UHFFFAOYSA-N	307.317	1.211	50	20	DDGD	
CCCc1cc(C(=O)NNc2ccccc2S(C)(=O)=O)n[nH]1	747517453	BTIVWQMNIJPYCD-UHFFFAOYSA-N	322.390	1.523	50	20	DDGD	
Cc1c(C(=O)NN(C)C[C@@H](C)O)cnn1Cc1ccccc1	910171233	VJZPJTAJJAJOEC-GFCCVEGCSA-N	302.378	1.197	50	20	DDGD	
C[C@H](CCCN)NC(=O)NNC(=O)Cn1ccc2ccccc21	841999108	AODYNUYJHZDUQA-GFCCVEGCSA-N	317.393	1.099	50	20	DDGD	
CCn1nc(C2CC2)cc1C(=O)NNC(=S)NCC1CCC1	912111763	YNFNFNQFVRQMNI-UHFFFAOYSA-N	321.450	1.689	50	20	DDGD	
C[C@@H]1C(=O)N(C)S(=O)(=O)N1CCO[Si](C)(C)C(C)(C)C	840209229	XZXFFSDSSVZWQC-SNVBAGLBSA-N	322.503	1.416	50	20	DDGD	
COCCN(C)NC(=O)C1CCC(NC(=O)C(C)(C)C)CC1	848378659	YCTCMGMLRRIJAX-UHFFFAOYSA-N	313.442	1.317	50	20	DDGD	
NC(=O)COc1ccc(C=NNC(=O)NC2CCCCC2)cc1	745988586	CJBYZNWKPDKENK-UHFFFAOYSA-N	318.377	1.517	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCCCCC1)c1ccn(C)n1	841613528	BOCJKJZNGIKURK-ZDUSSCGKSA-N	305.426	1.772	50	20	DDGD	
CCC(CC)(CO)C(=O)NNc1ccccc1S(C)(=O)=O	847587592	OBIULDDDOMRCDG-UHFFFAOYSA-N	314.407	1.332	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H](C)c2cnn(C)c2)cc1	749866077	FOFLHKVGABYARN-LLVKDONJSA-N	300.362	1.547	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H](C)C(=O)OC(C)(C)C)nc1	848668312	PNCROXJCWDZNFF-NSHDSACASA-N	308.382	1.994	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CC1(C)C	910138216	DGXQVZUNPJSGNK-MEBBXXQBSA-N	300.399	1.088	50	20	DDGD	
CNCCNC(=O)NNC(=O)c1cc2c(s1)CCCCC2	841936996	QZSDWNOCNNXYFT-UHFFFAOYSA-N	310.423	1.180	50	20	DDGD	
O=C(NC1CC1)c1ccc(C=NNC(=O)c2cnccn2)cc1	912817670	AJONKGYZMFHCPM-UHFFFAOYSA-N	309.329	1.133	50	20	DDGD	
O=C(CCC1CCOCC1)NNC(=O)c1ccc2c(c1)OCO2	742473205	XGBGTEYGCDOMTR-UHFFFAOYSA-N	320.345	1.383	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2cccc3c2CCCC3)CCC1	748585383	JPVOFMLWVVTBFU-UHFFFAOYSA-N	301.390	1.925	50	20	DDGD	
O=Cc1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)[nH]1	749866749	SHDMZACJTGAPII-UHFFFAOYSA-N	310.313	1.312	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCC(=O)OC(C)C)cc1	916220144	YOPROMWIRQTIRN-UHFFFAOYSA-N	321.377	1.535	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1	748640677	YNJRWKIADKTJIE-UHFFFAOYSA-N	319.770	1.018	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cccc2c1OC(C)(C)C2	847393776	QKKXXCJKNQPXQQ-UHFFFAOYSA-N	321.377	1.381	50	20	DDGD	
O=C(O)CSCC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	740485294	IBNKVJSSVJERIM-UHFFFAOYSA-N	319.726	1.509	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1ccc2ccccc2n1	749814917	HORVUYTTWBZTIJ-UHFFFAOYSA-N	310.357	1.697	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@H](C)c2ccc(C)o2)c1O	743317795	YTBBYJGCCMYSQT-SNVBAGLBSA-N	318.329	1.867	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCC1(N(C)C)Cc2ccccc2C1	743634525	VYZOZHSTDXCXMY-UHFFFAOYSA-N	318.421	1.072	50	20	DDGD	
COc1nccnc1NNC(=O)Cc1ccc2c(c1)CCCO2	843910537	VZXREVJTFIEJTI-UHFFFAOYSA-N	314.345	1.496	50	20	DDGD	
O=C(NNS(=O)(=O)CCc1ccc(F)cc1)C1CCCC1	849304718	WEHOYXXRNMQGEO-UHFFFAOYSA-N	314.382	1.509	50	20	DDGD	
CON(C)C(=O)CNC(=O)NNc1ccc(Cl)cc1F	922934263	JRRGRPFMQDKKGF-UHFFFAOYSA-N	304.709	1.125	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1cccc(Cl)c1F	755442445	RNHAGUUBXAKCQG-UHFFFAOYSA-N	309.688	1.736	50	20	DDGD	
CO[C@H](C)c1nc(CNC(=O)NNC(=O)C2CCC2)cs1	752390018	OCPCNHXIOVGFPL-MRVPVSSYSA-N	312.395	1.481	50	20	DDGD	
CCn1cc(CNC(=O)NC[C@]2(C)C[C@@H]2Br)cn1	856856759	LRNYYRKWWSPLHL-JQWIXIFHSA-N	315.215	1.876	50	20	DDGD	
NC(=O)c1cccc(C=NNC(=O)COc2ccc(F)cc2)c1	755551677	GMHWTPVJHNZEJI-UHFFFAOYSA-N	315.304	1.454	50	20	DDGD	
COC[C@H](C)NC(=S)NNC(=O)Nc1ccc(Cl)cc1	754361516	HYZCILMVYDYOPW-QMMMGPOBSA-N	316.814	1.876	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)c1	858301489	ZCDANUNPUPONQJ-IJLUTSLNSA-N	323.418	1.958	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCC(C)(C)C(C)(C)O)c1	858524008	BDSCBVJTKOSBSS-UHFFFAOYSA-N	313.423	1.798	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)CCc1ccc(OC)cc1	755238091	OQXJLSINDHHVNA-LBPRGKRZSA-N	308.378	1.448	50	20	DDGD	
O=C(CCn1ccnn1)OC[C@@H](CBr)C1CC1	859488600	SUWOWXWKDWQXLF-SNVBAGLBSA-N	302.172	1.633	50	20	DDGD	
CC(=NNC(=O)Cn1cnc2ccccc21)C1CCOCC1	755878992	CXXPWFFSFRCZDI-UHFFFAOYSA-N	300.362	1.955	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=Cc2ccc(O)c(F)c2)cc1	755511585	YCVCGWIRPZZEDK-UHFFFAOYSA-N	313.288	1.932	50	20	DDGD	
C[C@H]1Cc2cc(CNC(=O)NNC(=O)c3ccc[nH]3)ccc2O1	926448615	OJTNGHHIVRYHFZ-JTQLQIEISA-N	314.345	1.482	50	20	DDGD	
Cn1cc(C(=O)NNc2ncc(Cl)cn2)c(C(C)(C)C)n1	857357625	YNXWUZFCDYSJNC-UHFFFAOYSA-N	308.773	1.918	50	20	DDGD	
COc1cccnc1CC(=O)NC[C@]1(C)C[C@H]1Br	857391416	PPOUMMBKWCREDQ-YPMHNXCESA-N	313.195	1.922	50	20	DDGD	
C[C@H](O)CNc1cc(NC[C@]2(C)C[C@@H]2Br)ncn1	856788046	UMOYDDDQJWTGTR-AUTRQRHGSA-N	315.215	1.855	50	20	DDGD	
COCC[C@H](C)S(=O)(=O)NC[C@]1(C)C[C@@H]1Br	856754819	NVAHKQNASUQSFO-GUBZILKMSA-N	314.245	1.504	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H]1CCc2cc(F)ccc21	854952478	KGRCJNHSVDAAJV-LBPRGKRZSA-N	302.309	1.797	50	20	DDGD	
C[C@](CO)(NC(=O)NC[C@@]1(C)C[C@@H]1Br)C1CC1	856955812	ZKOHSRMAYMCTSB-MVWJERBFSA-N	305.216	1.620	50	20	DDGD	
Cn1nc(CNC(=O)NNc2ncc(Cl)cn2)cc1C1CC1	927663865	SQUGZZZZMBKMKR-UHFFFAOYSA-N	321.772	1.567	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@]1(c2ccccc2)CNC(=O)C1	854481165	XFEBMGJCVTXURJ-AWEZNQCLSA-N	315.200	1.706	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@](O)(CC#N)C2)C[C@@H]1Br	856961327	YALKUGMCAFIBFD-MVWJERBFSA-N	316.199	1.220	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNC(=O)COc1ccc(C)cc1	858140734	DSOGSDHEMRFEOL-AWEZNQCLSA-N	308.378	1.726	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccc(Oc2ccccc2)cc1	755353637	ARRNBEBIUPNFSP-UHFFFAOYSA-N	301.302	1.624	50	20	DDGD	
O=C(CCN1CCCC1=O)OC[C@H](CBr)C1CC1	859541741	NCMGSMGOEXNLST-NSHDSACASA-N	318.211	1.963	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C1CN(C(C)C)C[C@@H]1C	754254490	MQUCTIMUYCQLTB-ZDUSSCGKSA-N	319.405	1.906	50	20	DDGD	
COC(=O)Cc1c(C(=O)NNC(=O)C(C)C)[nH]c2ccccc12	854214350	IYVGZZBOBAYKSU-UHFFFAOYSA-N	317.345	1.300	50	20	DDGD	
O=C(C[C@@H]1CSCCS1)NNC(=O)CC(F)(F)F	752286668	PFTVRXZYZVDZIW-ZCFIWIBFSA-N	302.343	1.325	50	20	DDGD	
CC(C)[C@H](CO)ONC(=O)NC[C@]1(C)C[C@@H]1Br	856960443	PHRMTEREKJFMCE-QXEWZRGKSA-N	309.204	1.408	50	20	DDGD	
C=C[C@@H](CC)CC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1	930163485	RTMMGRYKACPNQT-NSHDSACASA-N	324.402	1.453	50	20	DDGD	
CC(=NNC(=O)CS(C)(=O)=O)[C@H](C)c1ccc(Cl)cc1	863186830	NKNIWJXNRORBII-VIFPVBQESA-N	316.810	1.980	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)CS(C)(=O)=O)C12CCCCC2	863189280	GZDICLBZGHGNAC-LBPRGKRZSA-N	316.423	1.263	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NN=C2CN3CCC2CC3)c1	866395938	IRCIQPVSOPOYRA-UHFFFAOYSA-N	301.390	1.880	50	20	DDGD	
CCC(=O)NN[C@H](C(=O)OC)c1cccc(Br)c1	766724362	IBCAFXMXZGHAHS-NSHDSACASA-N	315.167	1.694	50	20	DDGD	
CC1(C)CCC(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1	764680271	BVQYXJJLBYQFNU-LBPRGKRZSA-N	315.439	1.675	50	20	DDGD	
C[C@H](NNC(=O)[C@H]1Cc2ccccc2C(=O)O1)C(F)(F)F	862306828	PKFXVKCXLOTGLH-OIBJUYFYSA-N	302.252	1.340	50	20	DDGD	
COc1cc(S(=O)(=O)NNC(=O)C(C)(C)C)cnc1Cl	767450781	PGXJFKWLZDJJHP-UHFFFAOYSA-N	321.786	1.099	50	20	DDGD	
CCNC(=O)N(C)N=Cc1ccc(OC(F)(F)C(=O)O)cc1	769592762	UMKAOTBSDCEVCK-UHFFFAOYSA-N	315.276	1.738	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)c2ccc(CCCCl)cc2)C[C@@H]1O	768560298	YAWFTGDKACOASH-RISCZKNCSA-N	317.838	1.859	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cn2cccnc2n1	863093413	LLRKYSPFFNBWEL-UHFFFAOYSA-N	309.198	1.161	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H](C)NC(=O)C(C)(C)C)c1	862475777	WTZWMDJCZHZWEB-VIFPVBQESA-N	311.407	1.368	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCC2(O)CCC2)cc1OC	864443808	KFRZHJNOQLEZGK-UHFFFAOYSA-N	322.361	1.160	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)CCCCO)cc2C1	864517560	IMDGVRCAQUXBCA-JTQLQIEISA-N	310.419	1.797	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCC(CC(=O)OC)CC1	863099138	DPPVBRGPULLULE-PXYINDEMSA-N	314.382	1.263	50	20	DDGD	
OB(O)c1cccc(CNc2ccc(N3CCCCC3)cc2)c1	863891177	YNVHRSSPTQGYDR-UHFFFAOYSA-N	310.206	1.969	50	20	DDGD	
CN(CC(=O)NNc1ncnc2ccsc12)[C@H]1CCSC1	764753268	SRQARUPBLVWTMR-VIFPVBQESA-N	323.447	1.572	50	20	DDGD	
C=C(CBr)CN1CCC2(CC1)C[C@@H](O)CCO2	933057513	PHXAMAXIOBXMEP-LBPRGKRZSA-N	304.228	1.943	50	20	DDGD	
Cc1nc(C(=O)NN[C@H](C)C(F)(F)F)nn1-c1ccccc1	862313700	MVTOGJWOIDXFOK-MRVPVSSYSA-N	313.283	1.761	50	20	DDGD	
CC(C)C(=O)NNC(=O)CCCOc1ccc2c(c1)OCO2	764549304	WVKOZUOOPGTNQB-UHFFFAOYSA-N	308.334	1.378	50	20	DDGD	
C[C@H]1C[C@H](C(=O)O)CN(S(=O)(=O)CC(C)(C)CCl)C1	864495960	ODIMADVALQVXPN-UWVGGRQHSA-N	311.831	1.624	50	20	DDGD	
COc1nc(N)nc(N2CCCC2)c1C=NNC(=O)CC(C)C	863966837	PZSZOBWXQJIQIX-UHFFFAOYSA-N	320.397	1.164	50	20	DDGD	
CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)CC(C)(C)CCl)C1	867010224	MRMNSYHIPXZGOZ-LBPRGKRZSA-N	324.874	1.381	50	20	DDGD	
Cc1oc(C(=O)NNCC(F)(F)C(F)(F)F)cc1CO	869455181	SBWCNAIAPUPNOH-UHFFFAOYSA-N	302.199	1.512	50	20	DDGD	
COc1ccc(NNC(=O)[C@]2(C3CCCC3)CCNC2=O)cc1	863867454	ZVFFOGHIEDCZJU-KRWDZBQOSA-N	317.389	1.835	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CC=C(C#N)CC1	760002648	ATQCXYUUPHLUDK-ZFWWWQNUSA-N	318.421	1.889	50	20	DDGD	
COc1ccc(C(=O)NNc2nccnc2OC)cc1[N+](=O)[O-]	764481350	DVWLFSBPAWCQOH-UHFFFAOYSA-N	319.277	1.159	50	20	DDGD	
C[C@@H](Cc1ccco1)NC(=O)NNc1nncc(N)c1Cl	1116289597	SNZQDMCRAQJPMY-ZETCQYMHSA-N	310.745	1.563	50	20	DDGD	
Cn1cc(C(=O)COC(=O)[C@H](Br)C(C)(C)C)cn1	766748910	KDCZNBYGOSXKHX-JTQLQIEISA-N	317.183	1.956	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)Nc2c(C)cccc2F)o1	764372103	WDDQDFYRNJNADU-UHFFFAOYSA-N	319.292	1.435	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCC3(CC2)CC3)cc1	761061432	AVWGHWOGHMXUND-UHFFFAOYSA-N	301.390	1.632	50	20	DDGD	
COC(=O)[C@@H](COC(C)C)N(C)C[C@H](C)CBr	770657100	NWRWRIIDKQSPDH-GHMZBOCLSA-N	310.232	1.916	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C(C)C)cc1	771881344	GKJVUKOXTHDJGJ-NSHDSACASA-N	306.362	1.913	50	20	DDGD	
C[C@@H](CNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)C(=O)O	776637168	ATIQWQALOSVMKK-APOZVJGGSA-N	304.184	1.777	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@H](C)N(C)C	772997411	UUNSJMNMMRCIEI-UWVGGRQHSA-N	313.785	1.205	50	20	DDGD	
CSc1ccccc1CC(=O)NNC(=O)c1cc(C)[nH]n1	776980256	OBBNRYUDYIMZQH-UHFFFAOYSA-N	304.375	1.444	50	20	DDGD	
O=C(CO)NN=C1CCCc2nc(-c3ccccc3)sc21	776781263	ZIFBSVQFBAQJFW-UHFFFAOYSA-N	301.371	1.959	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C)c1C=NNC(=O)N1CCN(C)CC1	872368255	FNAWKUYAYHEWCY-UHFFFAOYSA-N	319.365	1.503	50	20	DDGD	
C=CC(=O)N(C)CC(=O)NNC(=S)Nc1cc(C)ccc1C	873756947	UMXPVWJYYSVTSP-UHFFFAOYSA-N	320.418	1.265	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@H]2CCOC3(CCC3)C2)cc[nH]1	875637087	JSNNHSSNDSMDPH-ZDUSSCGKSA-N	304.394	1.787	50	20	DDGD	
O=C(Cn1c(=O)oc2ccccc21)NNc1cccc(Cl)n1	1117728064	WJVNWRZPWHJGFZ-UHFFFAOYSA-N	318.720	1.786	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C2CCN(C)CC2)c(C)c1	873758424	QPXUAFMPXITZEM-UHFFFAOYSA-N	320.462	1.963	50	20	DDGD	
Cc1csc2ncc(C(=O)NNc3ccc(F)cc3)c(=O)n12	776455829	DMAATFSBXUDOBR-UHFFFAOYSA-N	318.333	1.960	50	20	DDGD	
C[C@@H]1N(CC(=O)NNC(=O)c2cccs2)CCOC1(C)C	777600451	QJMVGMDUZQLGFF-JTQLQIEISA-N	311.407	1.008	50	20	DDGD	
O=C1CCCCCN1CCCNS(=O)(=O)CCCCl	881772124	BTYNSXAWWBKVGJ-UHFFFAOYSA-N	310.847	1.327	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(C)c1	772186784	QNCVFSAOZRAWGV-SECBINFHSA-N	312.753	1.751	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1CCOC2(CCOCC2)C1	884412631	WUDFUFJFYZXSCL-UHFFFAOYSA-N	324.406	1.479	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1cnn(-c2ccccn2)c1	775529010	JTJKNRMGKFMYPO-UHFFFAOYSA-N	322.328	1.349	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccccc2)c(N(C)C)n1	784767450	SGMBWQWBXLTXJK-UHFFFAOYSA-N	313.361	1.538	50	20	DDGD	
COc1cccc([C@@H](O)C(=O)NNc2ncncc2Cl)c1	781837196	VFIJPFRIJNOVGV-LLVKDONJSA-N	308.725	1.315	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2cc(C(=O)O)co2)CC1	1120245126	GLXWHFCSJUHPEO-UHFFFAOYSA-N	307.350	1.550	50	20	DDGD	
CNC(=O)c1ccc(Cl)c(NC(=O)NNC(=O)C(C)C)c1	782555145	IYBPZIFABZOUGH-UHFFFAOYSA-N	312.757	1.508	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccc(O)nc2C)c1	780802665	ZYKLEWYURXZEBS-UHFFFAOYSA-N	301.302	1.639	50	20	DDGD	
C/C(C=NNC(=O)C(=O)NC1CC1)=C\c1cccc([N+](=O)[O-])c1	787152242	SEAKWYPLECXORO-YTRLHIMBSA-N	316.317	1.379	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2cccc(F)c2Cl)C(=O)O1	896370764	JSOREQSFTDJCMT-MUWHJKNJSA-N	301.705	1.809	50	20	DDGD	
CNC(=O)C1CCC(NS(=O)(=O)CCCCCl)CC1	780744930	RAINODYILCAXGM-UHFFFAOYSA-N	310.847	1.230	50	20	DDGD	
C[C@@]1(C#N)CCCN(CC(=O)NNC(=O)c2cccs2)C1	784452901	FHDCMAKGDCMHJE-AWEZNQCLSA-N	306.391	1.135	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccnc(C3CC3)c2)n1	783028598	SVGNGLHRKFUMGZ-UHFFFAOYSA-N	313.361	1.234	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](CC(=O)OC)c1ccncc1	787411204	CSPUVJWXBQLDBH-KXXVWKPMSA-N	303.318	1.246	50	20	DDGD	
COC(=O)CCCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	780978128	MHOSXPKRWFBQAA-UHFFFAOYSA-N	322.405	1.694	50	20	DDGD	
CCc1nn(C)cc1NC(=O)C(=O)NNc1cccnc1Cl	784839192	PVDPDMIROJPKTK-UHFFFAOYSA-N	322.756	1.113	50	20	DDGD	
O=C(CSC[C@@H]1CCCCO1)NNc1ncncc1Cl	781826723	ZNDAHUNGRMAAFR-VIFPVBQESA-N	316.814	1.875	50	20	DDGD	
Cn1cc(-c2ncccc2NC(=O)NNC(=O)C2CCC2)cn1	786208257	BGCBFYKZODTXTH-UHFFFAOYSA-N	314.349	1.435	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NNC(=S)NC(C)(C)C	899992834	MMDGDFVTGUSDFU-KCJUWKMLSA-N	309.439	1.369	50	20	DDGD	
CO[C@@H](C(=O)OC[C@@H](C)CBr)c1cnn(C)c1	798772774	DUIOEYOAZNOSJA-WCBMZHEXSA-N	305.172	1.682	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)CCn2cccn2)c1	791277931	SYVGSUPZLVFVFW-UHFFFAOYSA-N	316.365	1.510	50	20	DDGD	
CC1(C)CC(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1	794609838	XQHIPHIFCHYDHP-ZDUSSCGKSA-N	304.346	1.410	50	20	DDGD	
O=C(NN=C1CCC(C(F)F)CC1)N[C@H]1CCS(=O)(=O)C1	799478062	QTBWRNIAVBSSFR-HTLJXXAVSA-N	323.365	1.284	50	20	DDGD	
CC[C@H](C(=O)NNc1ccc(OC)cc1[N+](=O)[O-])C(=O)OC	790789955	NNDPKNDMKXEMIV-SECBINFHSA-N	311.294	1.246	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cc(C(F)(F)F)n[nH]2)n[nH]1	799476393	GBGGJUGAYABMAJ-UHFFFAOYSA-N	300.244	1.153	50	20	DDGD	
C[C@H](COc1ccccc1)NS(=O)(=O)CBr	782421100	IOHMPAOZZIXLEB-SECBINFHSA-N	308.197	1.726	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2ccc(F)cc2F)n1	1319482507	LHKXRBFJIMCZJS-UHFFFAOYSA-N	306.272	1.476	50	20	DDGD	
CC(C)[C@@H](C)C(=O)NNC(=O)c1cncn1-c1ccccc1	1318450518	GQZUKLZSTDIKAJ-GFCCVEGCSA-N	300.362	1.925	50	20	DDGD	
O=C(NNc1ncccc1F)c1ccoc1C1(O)CCOCC1	1322420010	YDFIRBZCAIZKGT-UHFFFAOYSA-N	321.308	1.569	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CC[C@H](O)C23CCCC3)c1	1328731884	UHYRHUCVNLCIDL-LBPRGKRZSA-N	323.418	1.790	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NNc1ccn(C)n1	1329656708	XDAITBVUWPZFJX-SNVBAGLBSA-N	311.386	1.509	50	20	DDGD	
O=C(NCc1ccc(Br)o1)NNC(=O)C1CCC1	1320857435	OYHOHKKHSIFGIY-UHFFFAOYSA-N	316.155	1.673	50	20	DDGD	
COc1ccc2c(c1)OC[C@H]2CC(=O)NNc1ccncn1	1324482850	QRDIGYFGBMZTRJ-SNVBAGLBSA-N	300.318	1.495	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H](C)CC(=O)OC(C)(C)C)n1	1327237405	HHEWOXPRJWELJC-LLVKDONJSA-N	323.397	1.840	50	20	DDGD	
Cc1nn(C)cc1CCC(=O)NNC(=O)c1cccc(Cl)n1	1328663157	XNOOCLXSBZOHGH-UHFFFAOYSA-N	321.768	1.171	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cnn1C1CCCC1	1326674705	GCNCODKICAURGB-AAEUAGOBSA-N	320.393	1.493	50	20	DDGD	
CN(C)Cc1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2)no1	1320124708	LFOJMWUWLIKZIH-UHFFFAOYSA-N	305.294	1.401	50	20	DDGD	
C[C@]1(CNC(=O)c2ccc(C(N)=O)nc2)C[C@@H]1Br	1328662663	QHPZOTUOYICJEU-JOYOIKCWSA-N	312.167	1.084	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)cc1	1259179575	VVHLDZWOGVXCPS-ZDUSSCGKSA-N	324.402	1.353	50	20	DDGD	
COC(=O)C(=O)NN=Cc1cnn(Cc2ccccc2Cl)c1	1323497551	YEDDBWLMRDRGOX-UHFFFAOYSA-N	320.736	1.208	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNc1nnc(-c2ccccn2)s1	1337188824	IJLKCAKSVXSUJN-GXSJLCMTSA-N	319.390	1.858	50	20	DDGD	
C[C@]1(CNC(=O)C2(C(=O)O)CC=CC2)C[C@@H]1Br	1331344598	NWIJZAPPKMIWDY-GZMMTYOYSA-N	302.168	1.697	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@H]2OCCC[C@H]2C1	1340898803	XUFJYIXKBZJHJP-MELADBBJSA-N	311.426	1.069	50	20	DDGD	
CCN1CCC[C@H](NC(=O)NNc2ccc(Cl)cn2)C1=O	1522265487	QSOKIRRBSSVIDI-JTQLQIEISA-N	311.773	1.372	50	20	DDGD	
O=C(NN=CC1CCSCC1)c1ccc(-c2nn[nH]n2)cc1	1606850619	NLQVCLPKOLNIOO-UHFFFAOYSA-N	316.390	1.726	50	20	DDGD	
O=C(O)CCC[C@@H]1CCCC(=NNC(=O)[C@@H]2COCCO2)C1	1608708949	BPJDYRBRTKPCTG-AAEUAGOBSA-N	312.366	1.319	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2cc(C(=O)O)c3n2CCCC3)cn1	1600930812	QKYPNWZYPUBMAP-UHFFFAOYSA-N	315.333	1.020	50	20	DDGD	
O=C(NNC(=O)C12CCC(C(=O)O)(CC1)C2)NC1CCCC1	1601553284	AQJCGVXBYYAVHD-UHFFFAOYSA-N	309.366	1.295	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@H]1CC1(F)F	1609558899	QQUXRABEIKVIPH-SSDOTTSWSA-N	314.683	1.618	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1C[C@@H](C)[C@H](C(=O)O)C1	1600565686	HWAXQJUPUIBUQM-ZYHUDNBSSA-N	305.334	1.002	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)O)cc1	1605493296	QHLZKCUZJUMRAW-NWDGAFQWSA-N	320.349	1.573	50	20	DDGD	
O=C(O)CCCCCNC(=O)NNc1cccc(C(=O)O)c1	1608711680	MPNVZXAMLUWEME-UHFFFAOYSA-N	309.322	1.656	50	20	DDGD	
Cn1nc(C(=O)O)cc1C(=O)NNc1nccc2sccc12	1601001492	ZCJRQTIBKHQDBB-UHFFFAOYSA-N	317.330	1.485	50	20	DDGD	
O=C(O)CSCCC(=O)NNc1ccc([N+](=O)[O-])cc1F	1602098606	KUDGNLYHXVFKNR-UHFFFAOYSA-N	317.298	1.385	50	20	DDGD	
CC[C@H](C)O[C@@H]1CS(=O)(=O)C[C@@H]1I	158066559	XKOZNRFBXIIFCD-BIIVOSGPSA-N	318.176	1.402	50	20	DDGD	
CNC(=O)[C@@H]1CN(C[C@@H]2[C@H](C)[C@H]2Cl)C[C@@H]1c1cnn(C)c1	1550632264	MQVWNBIIQVSCLW-BTXBGFNFSA-N	310.829	1.055	50	20	DDGD	
COc1cc(NNC(=O)[C@]2(C)C[C@@H](OC)CN2)ccc1Cl	1579166182	BQJXNCLYLKKJFK-YGRLFVJLSA-N	313.785	1.559	50	20	DDGD	
CNC1(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)CCC1	1578592849	CYCIHSZJPDJVGE-UHFFFAOYSA-N	305.382	1.365	50	20	DDGD	
NCCCC(=O)NNC(=O)[C@H](OC1CCCC1)c1ccccc1	1580289250	NKBMAHOPIYHNOM-MRXNPFEDSA-N	319.405	1.573	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H]2C[C@H]2F)C1	1845093477	HHKAAXIUVQDUEF-SDDRHHMPSA-N	316.804	1.955	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCCNC1	1580732816	KCELANZISJXEDO-VWYCJHECSA-N	321.343	1.502	50	20	DDGD	
CC[C@H](C)[C@@H](O)C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1841632611	QSKQZCVAXMMIJE-AXFHLTTASA-N	320.792	1.131	50	20	DDGD	
O=C(NN=C1CCO[C@]12CCOC2)Nc1ccc(C(=O)O)cc1	1776046150	CQOLBJRBYKQDFT-HNNXBMFYSA-N	319.317	1.442	50	20	DDGD	
CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Cl)[C@H]2C1	1787445776	PNCMZGDNMKDJER-MRBYEJRBSA-N	320.792	1.301	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccnn2CC2CC2)o1	160450181	YVQQOBFTQZYCDC-UHFFFAOYSA-N	303.322	1.661	50	20	DDGD	
COCCn1cc(NC(=O)NNc2ccc(C#N)cc2)cn1	163116585	AKYAATIYGBQLQU-UHFFFAOYSA-N	300.322	1.550	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNc1ncccc1[N+](=O)[O-]	153468378	JDECWGXRMCJHRX-UHFFFAOYSA-N	313.273	1.384	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cccc(-n2ccnn2)c1	157778392	HCRFOLYPHUUSDV-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
C[C@@H](Sc1nnnn1C1CC1)C(=O)NNc1cccc(F)c1	154221574	ZZZYMBACHLWIGL-MRVPVSSYSA-N	322.369	1.771	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CC=C(C#N)CC1	815891143	BLIAMFLZPLRDBF-WDNDVIMCSA-N	317.389	1.782	50	20	DDGD	
O=C(COC(=O)Cc1ccsc1)NNC(=O)c1cccs1	6528218	WKFCUOPCVYIJIU-UHFFFAOYSA-N	324.383	1.357	50	20	DDGD	
COC(=O)CCCNC(=S)NNC(=O)c1ccccc1C	7968597	GYDKMTVZLXXZJF-UHFFFAOYSA-N	309.391	1.057	50	20	DDGD	
Cc1nccc(C(=O)NNC(=O)c2cccc3ncccc23)n1	106812735	GCASEJIWGGBFON-UHFFFAOYSA-N	307.313	1.408	50	20	DDGD	
NC(=O)N1CCC[C@@H](C(=O)NNc2cccc3c2CCCC3)C1	179018578	RSLKDEVURQMJDM-CYBMUJFWSA-N	316.405	1.799	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@](C)(O)[C@@H](C)c2ccccc2)o1	176209771	CEGVBCVYMZPDPN-SJCJKPOMSA-N	316.357	1.904	50	20	DDGD	
O=C(NNc1ncccn1)c1nn(-c2ccccc2F)cc1O	104839550	IYXLNKYJBPSQGX-UHFFFAOYSA-N	314.280	1.264	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)[C@@H]1CCCO1)c1cccs1	114605042	WDPSSSAEWSBTHN-JTQLQIEISA-N	311.407	1.535	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H](C)OCCC(C)C	68798382	BNZIRRIJSQWNEG-CYBMUJFWSA-N	322.405	1.836	50	20	DDGD	
COCCOCCNC(=O)NNc1cc(F)c(F)c(F)c1	175324581	ZAGKNIGSFGEXDT-UHFFFAOYSA-N	307.272	1.393	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC=C(c2ccc(F)cc2)CC1	111196358	HBHAWECBOLDIEZ-LBPRGKRZSA-N	319.380	1.861	50	20	DDGD	
C[C@H](NC(=O)NNc1cc(F)c(F)c(F)c1)C(=O)N(C)C	175310025	PONKRHNZGHELAM-LURJTMIESA-N	304.272	1.207	50	20	DDGD	
CC(C)N1CC[C@@H](NC(=O)NNc2cccc(C#N)c2)C1=O	114835879	DVYJEYYVKCZRCN-CYBMUJFWSA-N	301.350	1.194	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)NCc2ccco2)cn1	65175837	AHGZJALUMIQDES-UHFFFAOYSA-N	304.306	1.218	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2COc3ccc(F)cc3C2)nc(C)n1	121148464	RZYJNDMMJUAMBB-LBPRGKRZSA-N	316.336	1.927	50	20	DDGD	
Cc1ccc(C)c(NC(=O)C(=O)NNC(=O)c2cccn2C)c1	123312039	PGJKHBRCOCOYJH-UHFFFAOYSA-N	314.345	1.042	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)C(=O)Nc1ccc(F)c(Cl)c1	123252247	PWIYPUOVAWIRSD-UHFFFAOYSA-N	324.699	1.207	50	20	DDGD	
CCN(CC)CC(=O)NNC(=O)c1cc(-c2ccccc2)on1	69985676	XRVLEVHZTUGIHO-UHFFFAOYSA-N	316.361	1.444	50	20	DDGD	
COc1ncc(C)cc1NC(=O)NNC(=O)c1ccc(C)o1	186338092	AKBUJFCQFHLMEF-UHFFFAOYSA-N	304.306	1.767	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H]2COc3cc(C)c(C)cc32)n1	184377725	BTQBHRHKABGVFS-LBPRGKRZSA-N	314.345	1.721	50	20	DDGD	
COC(=O)c1cccc(CC(=O)NNC(=O)CC2CCCC2)c1	120442750	FAASJPQYTUICMP-UHFFFAOYSA-N	318.373	1.743	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)c2ccc(C#N)cc2)c1	125721694	FGYBFMIBDMOGKU-UHFFFAOYSA-N	322.324	1.266	50	20	DDGD	
CN(c1ccccc1C(N)=O)S(=O)(=O)CCCCCl	187577024	KDISNXBTXVRQMV-UHFFFAOYSA-N	304.799	1.571	50	20	DDGD	
CCN(C[C@H]1CCCO1)C(=O)NNC(=O)c1cccc(C#N)c1	126443554	WLSTZYKFTDZXQB-CQSZACIVSA-N	316.361	1.414	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NNC(=O)Cc1cccnc1	120618802	OYISKKAAJWKLEL-QWHCGFSZSA-N	315.398	1.945	50	20	DDGD	
C[C@H]1CCCN(C(C)(C)CNC(=O)NNc2cccnn2)C1	77349371	JLGWNASOIRQCAR-LBPRGKRZSA-N	306.414	1.613	50	20	DDGD	
CN(NC(=O)CCCc1nc(-c2ccc(F)cc2)no1)C(N)=O	182637235	JABKIWODRQQORS-UHFFFAOYSA-N	321.312	1.240	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@@H](C)[C@@H](C)N1CCOCC1	185356002	KZSMARBIMAEDDK-QWHCGFSZSA-N	324.400	1.869	50	20	DDGD	
CCC1(CO)CCN([C@@H](C)C(=O)NNC(=O)CC(C)C)CC1	128339568	UZVTVMCOFODQID-ZDUSSCGKSA-N	313.442	1.053	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CC[C@@H]1Cc2ccccc2NC1=O	77220002	GPRNMNFKOGBTMK-GFCCVEGCSA-N	317.389	1.771	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NCC2(C3CC3)CCC2)n1	133106497	QAFCOHRWHMXWAW-UHFFFAOYSA-N	319.409	1.411	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1Cl	181281911	DXGGGZNYSKZSFA-UXBLZVDNSA-N	309.709	1.918	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc2ncsc2c1	139679246	JAXHVVFTEBUWAV-UHFFFAOYSA-N	308.363	1.277	50	20	DDGD	
COc1ccc(NNC(=O)Cc2ccncc2)c([N+](=O)[O-])c1	182128412	HCGIFAJJEHGEMO-UHFFFAOYSA-N	302.290	1.684	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cc(-c2ccccc2)on1	79391533	FIDAQDZPRXTMEW-SMDDNHRTSA-N	315.329	1.528	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@@H](C)[C@H](C)N1CCOCC1	185356036	KZSMARBIMAEDDK-STQMWFEESA-N	324.400	1.869	50	20	DDGD	
Cc1ccn(CC(=O)NNc2cc(C#N)cc(Cl)n2)c(=O)c1	195047701	CFWWPYPHUSAGGP-UHFFFAOYSA-N	317.736	1.220	50	20	DDGD	
CN(NC(=O)CCNC(=O)Cc1ccccc1)c1ccccc1	198550663	SPZOBTBNHFTCLU-UHFFFAOYSA-N	311.385	1.903	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccncc2)cc1C	193958278	VWKMGXVLHMZXBP-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNc1nc2ccccc2c(=O)n1C	133872603	FECANKFIBZYVRR-SNVBAGLBSA-N	304.350	1.192	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc2ccccc2n1	42901533	LNMPPKJAYBKZJK-UHFFFAOYSA-N	302.334	1.215	50	20	DDGD	
Cc1noc2nc(C3CC3)cc(C(=O)NNC(=O)N(C)C)c12	194924326	KXOHTGUIRBFVAZ-UHFFFAOYSA-N	303.322	1.325	50	20	DDGD	
Cc1ccc(-c2nc(CC(=O)NNC(=O)N(C)C)cs2)cc1	194928723	JDHYYUIVZXJROX-UHFFFAOYSA-N	318.402	1.963	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ncccn1)N1CCc2ccccc21	47015276	ZWDSRMRXUXQXRI-LBPRGKRZSA-N	312.377	1.554	50	20	DDGD	
CN1CC[C@@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)CC1=O	194206444	KFBIARKXOUGCFT-ICDLMJIXSA-N	301.321	1.470	50	20	DDGD	
CC(=O)NCCCCCC(=O)NNC(=O)c1ccc(C#N)cc1	142432114	ZFVJNWDXTOLMGF-UHFFFAOYSA-N	316.361	1.016	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@@H]1CCC[C@H]2OCC[C@@H]12	246365440	KVUKDYSINCWLEU-IVZWLZJFSA-N	311.773	1.714	50	20	DDGD	
C[C@@H]1CCCC[C@H]1CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	250226780	GXVKWAVUVMENGA-DYEKYZERSA-N	317.455	1.194	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)c1cnn(C)c1)c1cccc(Cl)c1	255143874	VYWIQROCYOMBCM-POHAHGRESA-N	318.764	1.938	50	20	DDGD	
COC(=O)[C@H]1CCC[C@@H](C(=O)NNc2nc(C)cc(OC)n2)C1	266982012	ZKQNSPLJOIGNHI-MNOVXSKESA-N	322.365	1.216	50	20	DDGD	
CC[C@H](C)C[C@H](C)NC(=O)NNc1nc(O)c2cnn(C)c2n1	269296103	ROOKWSROVVTZSF-IUCAKERBSA-N	321.385	1.520	50	20	DDGD	
CN(CC(C)(C)C)C(=O)NNC(=O)COCc1ccccc1	265808582	PDHUNDBZBQGRBH-UHFFFAOYSA-N	307.394	1.922	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@H](C)CSC	265488006	UTEHITFOHMSDLO-SNVBAGLBSA-N	311.407	1.320	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1cccc(Cn2cncn2)c1	272843924	PEGZQAOIAUCEAQ-UHFFFAOYSA-N	314.349	1.279	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCCN1CCSCC1	273108223	CMIXXXRARIAQNI-SDNWHVSQSA-N	319.405	1.898	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)C[C@@H]1C=CCCC1	275212524	CEAJZFBPPRDIEK-GFCCVEGCSA-N	304.346	1.665	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NOC[C@H]1CCOC1)c1ccccc1	276268713	JRCBQBBRDUQZQO-JSGCOSHPSA-N	321.377	1.479	50	20	DDGD	
CCOC(=O)NNC(=O)[C@]1(F)CCN(C(=O)OC(C)(C)C)C1	361354741	UWFDELFKYZCYND-ZDUSSCGKSA-N	319.333	1.113	50	20	DDGD	
ICCN1CCOC[C@H]1[C@@H]1CCCO1	367585829	NOMHGZRIBNSEIE-UWVGGRQHSA-N	311.163	1.301	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)C(C)(C)c2ccccc2)CCO1	271978193	OCDMWHUXWQZXCH-CHWSQXEVSA-N	304.390	1.927	50	20	DDGD	
CN(C)c1cc(C(=O)NNC(=O)NC2CC2)c2ccccc2n1	273328558	RRWYLDFNRVASFP-UHFFFAOYSA-N	313.361	1.407	50	20	DDGD	
COc1cccc(NNC(=O)CCNC(=O)OC(C)(C)C)n1	272509096	IPECWTQXKRYAEI-UHFFFAOYSA-N	310.354	1.448	50	20	DDGD	
C[C@H](NC(=O)NNc1nc2ccccn2n1)[C@@H]1CCCCO1	276614535	AFDJCXRYQKPHMK-QWRGUYRKSA-N	304.354	1.313	50	20	DDGD	
COc1cccc(NNC(=O)c2cc(C(C)(C)C)nn2C)n1	272555836	SBARSWAQVKKFEI-UHFFFAOYSA-N	303.366	1.878	50	20	DDGD	
CC[C@H](NNC(=O)c1ccc(OC(C)C)c(OC)c1)C(=O)OC	279934346	WWQZNNODRFAVAV-LBPRGKRZSA-N	324.377	1.668	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cc([C@@H]2CCNC2)n[nH]1	279111067	YKIKKYPYBKYMHK-SECBINFHSA-N	316.321	1.152	50	20	DDGD	
N#Cc1ccc(C(=O)NN=c2nc(-c3ccncc3)[nH]o2)cc1	372616583	BUBDCPXWXDBBNP-UHFFFAOYSA-N	306.285	1.182	50	20	DDGD	
O=C(NCc1c(F)cc(F)c(F)c1F)NNC(=O)C1CCC1	281219995	SVBMNDQXXABGNN-UHFFFAOYSA-N	319.258	1.874	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2CCc3cnn(C)c3C2)n1	281126603	DQGJYJMFGSBROI-LLVKDONJSA-N	300.366	1.075	50	20	DDGD	
CSSCCNC(=O)NCCNC(=O)c1ccco1	283957023	KJZLKTLPSRVJOD-UHFFFAOYSA-N	303.409	1.320	50	20	DDGD	
O=C(NNc1nnc[nH]1)[C@H]1CCCN(Cc2ccccc2)C1	293810474	FBTJODUGBWBHLL-ZDUSSCGKSA-N	300.366	1.160	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCCCO2)cc1C	296866182	ZEZCUZRFGITOMZ-ZDUSSCGKSA-N	312.391	1.182	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cnc3c(F)cccc3c2)O1	294142390	GZYBYNXSUBDTHE-ZANVPECISA-N	317.320	1.702	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Cc2ccc(F)cc2Cl)O1	294273595	PHRPEDURLRXDHV-UFBFGSQYSA-N	314.744	1.737	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNc1nccc(N(CC)CC)n1	290633477	YBSFUNOLHPHXQS-UHFFFAOYSA-N	323.400	1.990	50	20	DDGD	
CC[C@@H](C)N[C@H](CNC(=O)NNC(=O)C1CCC1)c1ccco1	807441758	NTJHVTRWHYBWSM-DGCLKSJQSA-N	322.409	1.839	50	20	DDGD	
C[C@H](Cc1cncc2ccccc12)C(=O)NNC(=O)NC1CC1	805170098	AAJBFDZXGLAMNW-LLVKDONJSA-N	312.373	1.906	50	20	DDGD	
C=CCNC(=O)CNC(=O)NNc1cc(C(F)(F)F)ccn1	296502150	BZGNGWLLESIROK-UHFFFAOYSA-N	317.271	1.029	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)Cc1ccc(Cl)cn1	806355630	YEOHBGYFRJAAFH-UHFFFAOYSA-N	318.764	1.537	50	20	DDGD	
O=C(NNc1ncccc1F)C(=O)Nc1cccc(F)c1F	807300669	RXHVJOUSMKBWBM-UHFFFAOYSA-N	310.235	1.581	50	20	DDGD	
CC[C@@](O)(C(=O)NNc1ncccn1)c1cccc(Cl)c1	800407375	OTKMSYIHECUEFR-AWEZNQCLSA-N	306.753	1.871	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc([N+](=O)[O-])c(F)cc1N	801842218	JDSFUDAEOJIENW-UHFFFAOYSA-N	313.289	1.060	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)COCc2ccccc2)c(C)o1	814314385	BRASNTKULLSWIK-UHFFFAOYSA-N	303.318	1.269	50	20	DDGD	
CSSCCNC[C@H](O)COc1cccc([N+](=O)[O-])c1	819297525	SHHOAJWRRXCQSH-NSHDSACASA-N	318.420	1.935	50	20	DDGD	
CN(NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1)C1CC1	819652160	CVXNSFLTMJHMOR-AWEZNQCLSA-N	302.378	1.808	50	20	DDGD	
Cn1c(NNC(=O)COc2ccc(C#N)cc2)nc2ccccc21	816577963	GVQKIDAYCDIQHH-UHFFFAOYSA-N	321.340	1.967	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2c[nH]c(C(=O)O)c2)cc1	814712260	OSYOYENBQATNKT-UHFFFAOYSA-N	300.318	1.584	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2cccc(Cl)n2)c1	817010514	FPAGEOWYJNSFRL-UHFFFAOYSA-N	304.737	1.852	50	20	DDGD	
CC1(C)CN(C(=O)/C(C#N)=C/c2ccc(O)cc2)C[C@H](CO)O1	817626587	BQCIMOXNSCUNTR-MYWXAZLQSA-N	316.357	1.297	50	20	DDGD	
COCCC(C)=NNC(=O)c1nn(-c2ccccc2)cc1O	814757722	OOEJCHFMSCZRCQ-UHFFFAOYSA-N	302.334	1.720	50	20	DDGD	
N=[S@](=O)(O)c1ccc(C=NNC(=O)c2ccc(N)cc2)cc1	811628897	FEWZHMHANNRFFR-UHFFFAOYSA-N	318.358	1.911	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@]1(C)CC1(F)F	817513900	VONGYMMYWDIOFW-CYBMUJFWSA-N	314.288	1.267	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncncc1F)c1cccc([N+](=O)[O-])c1	814285053	DEBMHHXMVKYOGU-MRVPVSSYSA-N	320.284	1.911	50	20	DDGD	
COc1ccc(C=NNC(=O)COc2ccccc2O)c(O)c1	814951371	ZCKGXPYSONDLCB-UHFFFAOYSA-N	316.313	1.636	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1nnc2ccccc2n1	810285030	ZNEJHBUBDQIULI-UHFFFAOYSA-N	321.340	1.419	50	20	DDGD	
C=CCOc1ccc(C(=O)NNc2ncncc2F)cc1OC	817083130	YFRWDMMIQRAFPX-UHFFFAOYSA-N	318.308	1.946	50	20	DDGD	
CCC(CC)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	825097739	YOHRJZRPOWEKBY-UHFFFAOYSA-N	309.761	1.794	50	20	DDGD	
CSSCCNC(=O)N[C@H]1CCN(C(C)(C)C)C1=O	826739838	VVCPBKXKSIMEPY-VIFPVBQESA-N	305.469	1.696	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)c2ccc(C)n2C)c1	727497710	IMVWALYAFDUSEK-UHFFFAOYSA-N	312.398	1.946	50	20	DDGD	
CCOC(=O)N(C)c1ccc(NC(=O)NNC(=O)CC)cc1	495307292	NUMYHUNRFHMZPA-UHFFFAOYSA-N	308.338	1.842	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(-c2ccccc2Cl)[nH]n1	823977080	NVPJOHQQIIUMIQ-VIFPVBQESA-N	308.769	1.688	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1	495449295	WCDSXURSOMORSH-UHFFFAOYSA-N	321.333	1.241	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)c1ccc(-c2nn[nH]n2)[nH]1	826447869	ZNLXOCKIGCLQKG-UHFFFAOYSA-N	304.701	1.000	50	20	DDGD	
O=C(c1csc(-c2ccc(F)cc2)n1)N1CC[C@@H](B(O)O)C1	585069443	MESVAAHNFBUKRG-SNVBAGLBSA-N	320.154	1.638	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(C)n(-c2ccc(OC)cc2)n1	494470623	NBCSEIXLZJDSTC-UHFFFAOYSA-N	318.333	1.580	50	20	DDGD	
O=C(C/C=C/Cc1ccccc1)NNC(=O)[C@H]1CCCCO1	823237286	QWXWATVRECFVGK-MBVDDHJVSA-N	302.374	1.892	50	20	DDGD	
CCOC(=O)N[C@H](CNC(=O)NNc1ccccn1)CC(C)C	492905994	GTAYEZFXFASBLN-LBPRGKRZSA-N	323.397	1.869	50	20	DDGD	
O=C(NCC1(c2ccncc2)CCCC1)c1ccc(B(O)O)cc1	584969623	WRWIHHXOLOZVGW-UHFFFAOYSA-N	324.189	1.003	50	20	DDGD	
COC(=O)Nc1cccc(NC(=O)NNC(=O)C(C)C)c1C	496342859	LQYAJFHTJONTLL-UHFFFAOYSA-N	308.338	1.982	50	20	DDGD	
CCOC[C@H]1CCCCN1C(=O)/C(C#N)=C/c1cnn(C)c1	491013299	TZCRBWXMYBSTPQ-UJMHRVFCSA-N	302.378	1.745	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)C=C(C1CC1)C1CC1	494642122	VNQAZNCCMRFZAE-UHFFFAOYSA-N	323.393	1.405	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)/C(=C\c1ccccc1)C(F)(F)F	823917334	HYIMLMUVFIIECS-MJWAUXSNSA-N	302.296	1.976	50	20	DDGD	
CCC[C@@H](CC(C)C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1	823757151	HXFUVKUTFXUTFR-RYUDHWBXSA-N	318.439	1.031	50	20	DDGD	
CCN(CCO)NC(=O)c1ccnc(OC2CCCCC2)c1	823869809	QHKSDUJTRBBETI-UHFFFAOYSA-N	307.394	1.752	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@H](C)CSc1ccc(F)cc1	823945993	BXCZCXQGMPHWHQ-QWRGUYRKSA-N	300.399	1.898	50	20	DDGD	
Cc1cc(Br)cc(C(=O)NN(C)[C@@H](C)CO)c1	823935166	OGWAFWNUHNEDAO-VIFPVBQESA-N	301.184	1.715	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1cccnc1-c1ccccc1	495407274	JTNSXDCUNRHKSG-UHFFFAOYSA-N	314.301	1.074	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC12CCSCC2)c1ccccc1O	823861172	XZJHVSQGSUXKPR-LLVKDONJSA-N	306.387	1.687	50	20	DDGD	
CC(C)[C@@H](NC(=O)O)C(=O)NN=c1cc[nH]c2ccccc12	736375286	NPJBNXSQOHPRMO-CYBMUJFWSA-N	302.334	1.392	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCC1	823917260	GLHIMHBXTQLXFE-JQWIXIFHSA-N	315.414	1.024	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NNC(=O)OCC	496589542	GQHGWHVOXBNDAX-SNVBAGLBSA-N	317.386	1.799	50	20	DDGD	
Cc1cc(Br)c(O)c(CN2CC[C@H](B(O)O)C2)c1	585077456	UJOGYBCEHAMKSZ-JTQLQIEISA-N	313.988	1.512	50	20	DDGD	
CCOC(=O)NNC(=O)C1(C)CN(C(=O)OC(C)(C)C)C1	495988530	IOFHBNONKSCMNG-UHFFFAOYSA-N	301.343	1.021	50	20	DDGD	
O=C(NNc1ccncn1)N[C@@H]1CCN(C2CCCCC2)C1=O	836365059	LCMCUCIQMWQFHO-GFCCVEGCSA-N	318.381	1.036	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1C	490939415	GQBCEIFRLGAZSC-UKTHLTGXSA-N	304.346	1.682	50	20	DDGD	
C[C@H]1CC[C@@H](CNC(=O)NNC(=O)CCCc2ccccc2)O1	838744092	HXGJXXGJJJLOHC-ZFWWWQNUSA-N	319.405	1.907	50	20	DDGD	
CCn1cc([C@H](C)NCC(=O)NNC(=O)c2cccs2)cn1	832309719	KALMCYDKJXBDPG-JTQLQIEISA-N	321.406	1.076	50	20	DDGD	
Cc1noc(CCCNC(=O)[C@@]2(C)C[C@H]2Br)n1	906530935	NKFAMPXBYLDTFQ-KCJUWKMLSA-N	302.172	1.600	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])n1C	731493362	XQOFVICAEDCGDH-UHFFFAOYSA-N	318.289	1.017	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN[C@H]2CCC[C@@H]3C[C@H]23)cc1	839195510	BEJHCPBYIMCHPB-ILXRZTDVSA-N	301.390	1.534	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CCO[C@@H](C)C2)c(F)c1	837207927	SJBPSJLPNFAUQS-UWVGGRQHSA-N	310.325	1.871	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)cc1)[C@@H](C)Oc1ccccc1F	585028674	MUXVFBMXCZUUMB-QWHCGFSZSA-N	317.169	1.451	50	20	DDGD	
COC(=O)c1ccc2[nH]cc(C=NNC(=O)c3cnccn3)c2c1	731926035	HMNDHMBLZHABEV-UHFFFAOYSA-N	323.312	1.508	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCc3cc(F)ccc32)n[nH]1	831418017	IOHTVHSRCVULPF-GFCCVEGCSA-N	302.309	1.348	50	20	DDGD	
C=C(CI)n1cc(CSCCN)nn1	900640905	GXYDQCXJCMNCHU-UHFFFAOYSA-N	324.191	1.376	50	20	DDGD	
O=C(Cc1csc(-c2ccccc2)n1)N1CC[C@H](B(O)O)C1	585069839	QEDKYOSPTBQDAB-LBPRGKRZSA-N	316.191	1.428	50	20	DDGD	
O=C(NNc1ncccc1Cl)[C@@H]1CCCN(C(=O)C2CC2)C1	734247278	AZLXQMDCDZUGLM-LLVKDONJSA-N	322.796	1.827	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)c(C)[nH]1	914749549	FEERENBSKZZXJQ-NSHDSACASA-N	319.336	1.999	50	20	DDGD	
CC(C)(O)[C@@H](Oc1ccccc1)C(=O)NNc1cccnn1	832038941	BRCAKOQYHDTAFM-ZDUSSCGKSA-N	302.334	1.138	50	20	DDGD	
Cc1ccc(CN(C)[C@H](C)C(=O)NNC(=O)CC(C)C)nc1	831058985	PBRVZVDTJLJENX-CYBMUJFWSA-N	306.410	1.404	50	20	DDGD	
CC(C)(C)[C@@H](NC(N)=O)C(=O)NNc1ccc(F)c(F)c1F	839636342	PKDXWQZYSYQQDG-JTQLQIEISA-N	318.299	1.630	50	20	DDGD	
O=C(NCc1nc(-c2ccccc2)n[nH]1)NNc1ncccn1	741417805	MPGJGNWFZYTTOK-UHFFFAOYSA-N	310.321	1.088	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@H](O)C(C)(C)C)c1	843870369	STAJSUUDTADEJF-LBPRGKRZSA-N	308.382	1.630	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)N[C@H](C)CCN)c1C	841966474	CZVSPDHSUPYCPM-DGCLKSJQSA-N	322.409	1.138	50	20	DDGD	
C[C@H](CCO)SCC(=O)NNC(=O)c1ccc(F)cc1	741733092	QGCGNDYCXVMXBQ-SECBINFHSA-N	300.355	1.091	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@H]1CCCN2CCCC[C@@H]12	847442845	OJLSRGCMYZWULT-GJZGRUSLSA-N	316.405	1.648	50	20	DDGD	
O=C(NNc1c(F)cc(C(=O)NC2CC2)cc1F)C1=COCC1	748826771	DEGVOUFGXCMDCB-UHFFFAOYSA-N	323.299	1.604	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)NC(=O)NNc1ccc(F)cc1Cl	918606547	DPVSHFJMOJMUTK-ZETCQYMHSA-N	323.777	1.538	50	20	DDGD	
CCn1c(NNC(=O)CCC(C)(C)N)nc2ccccc2c1=O	843369951	UDGNTSYUNPIPSW-UHFFFAOYSA-N	317.393	1.377	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2cnc(C)s2)c1	748604717	DYOLOAUYVDFJGW-UHFFFAOYSA-N	321.358	1.544	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C1CC2(CCC2)C1	843752278	OBSJAGNNNKIHSP-UHFFFAOYSA-N	318.373	1.802	50	20	DDGD	
NC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)CCc1ccccc1	841951952	YEDLRBFUBZRXBX-HUUCEWRRSA-N	318.421	1.467	50	20	DDGD	
CN(C)c1nc(CNC(=O)NNc2cccc(C#N)c2)cs1	747588618	GFGQYEVILUXXGY-UHFFFAOYSA-N	316.390	1.907	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NCCOC1CCC1	743586045	TVACTQPJQRKMNP-UHFFFAOYSA-N	319.405	1.909	50	20	DDGD	
CCN(Cc1ccccc1C)C(=O)NNC(=O)c1ncccn1	841594211	QZGDGQKPXLIXTH-UHFFFAOYSA-N	313.361	1.662	50	20	DDGD	
CCCCNc1ccccc1C(=O)NNC(=O)c1ncccn1	842266578	VPGIORWJMPHAGX-UHFFFAOYSA-N	313.361	1.763	50	20	DDGD	
CCNC(=O)NNC(=O)CCc1ccc(Br)cc1	748703505	PSRYFVPWOYZQGR-UHFFFAOYSA-N	314.183	1.732	50	20	DDGD	
CC(C)c1ccc(NNC(=O)[C@H]2CCc3nnnn3CC2)cc1	846249778	SUKGSVKSYVZHTG-ZDUSSCGKSA-N	314.393	1.892	50	20	DDGD	
CC[C@H](N)CNC(=O)NNC(=O)Nc1ccc(C)cc1Cl	842003372	AQMLZOQYDKGZSX-VIFPVBQESA-N	313.789	1.721	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2nc3ccsc3s2)n[nH]1	756638959	XMUZLQZXIWVNBQ-UHFFFAOYSA-N	322.375	1.856	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNC(=O)COc1ccccc1O	859271333	XDYDDAKPUBLCQL-ZDUSSCGKSA-N	310.350	1.124	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)Cc1cccnc1)C1CCCC1	852059486	FPABBQVKENZQQG-AWEZNQCLSA-N	320.393	1.160	50	20	DDGD	
O=C(NC[C@@H](C(=O)O)C1CCC1)NNc1cncc(Cl)n1	854238418	YPDCOQCPOMJSCU-MRVPVSSYSA-N	313.745	1.257	50	20	DDGD	
CN(C)[C@@H](C(=O)NNC(=O)OCC(F)(F)F)c1ccccc1	856021992	QDRWFAMFSUHCCE-SNVBAGLBSA-N	319.283	1.609	50	20	DDGD	
C[C@@H]1CC[C@@H](CNC(=O)NNc2ccc([N+](=O)[O-])cc2F)O1	854127278	SUNRCIMCICRPDR-SCZZXKLOSA-N	312.301	1.928	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CN(C3CC3)C[C@@H]2C)cc1	755885488	DWIXAIHMBGJOAK-LBPRGKRZSA-N	314.389	1.520	50	20	DDGD	
O=C(Cc1ccc(O)c(F)c1)NNC(=O)OCC(F)(F)F	856027166	BRHVSWBUBZNPIC-UHFFFAOYSA-N	310.203	1.394	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1nc2cnccc2s1)C1CC1	855097377	OUORSUXJINHMLV-ZETCQYMHSA-N	321.431	1.599	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2ccc(O[C@@H]3CCOC3)cc2)n[nH]1	853321216	LPCBLIKQIFUPKU-CQSZACIVSA-N	314.345	1.650	50	20	DDGD	
CCOc1nc(C(=O)NNc2ccc(C)c(C(=O)OC)c2)co1	857267417	WGEHWIYLLLKPFU-UHFFFAOYSA-N	319.317	1.925	50	20	DDGD	
CC(C)CCO[C@@H]1CCN(C(=O)/C(C#N)=C\c2cnn(C)c2)C1	856528662	DLKXXOPPBGARPR-MVMZHWFQSA-N	316.405	1.991	50	20	DDGD	
CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)NNc1ccccn1	852692157	PGTRISHAUFPPPM-XHDPSFHLSA-N	306.366	1.830	50	20	DDGD	
N#CSCCCNC(=O)C[C@H](NC(N)=O)c1ccccc1	854362902	GSFYNXQCTXMYQI-LBPRGKRZSA-N	306.391	1.507	50	20	DDGD	
O=C(NC[C@H]1COCO1)NNc1cc(Cl)cc(Cl)c1	923849109	GHGVEXBXHRDLFC-JTQLQIEISA-N	306.149	1.992	50	20	DDGD	
C[C@]1(CN2C(=O)N[C@@H](CC3CC3)C2=O)C[C@@H]1Br	857227459	NWJMYZIGSHLGIU-HOTUBEGUSA-N	301.184	1.880	50	20	DDGD	
O=C(C[C@H]1CSCCS1)NNC(=O)c1cccc(F)n1	856422659	AXBLNBWSCKQHJW-QMMMGPOBSA-N	315.395	1.220	50	20	DDGD	
CC(=O)NNC(=O)c1cccc(OCC(=O)OC(C)(C)C)c1	854155886	XVIYMRLPLMSODY-UHFFFAOYSA-N	308.334	1.188	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@@H](CO)CC2)C[C@@H]1Br	856958904	PJVSMJLESHSTNT-NTZNESFSSA-N	319.243	1.964	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(CN2CCCC2)cc1	854919691	BDLZVYHFQKVUBW-UHFFFAOYSA-N	306.435	1.363	50	20	DDGD	
C[C@H]1CCCc2ncc(C(=O)NNC(=O)OCC(F)(F)F)n21	856025822	AUBTYAYRJHFEAU-ZETCQYMHSA-N	320.271	1.714	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)NCCC2CCC2)c1	755277647	AYZCUESWQJLLKM-UHFFFAOYSA-N	321.377	1.838	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNc2cnnn2C)c1	857271940	DCNRSSSCXPXZJI-UHFFFAOYSA-N	303.366	1.769	50	20	DDGD	
CC(=O)Nc1ccc(O)c(C(=O)NNc2cc(C)ccn2)c1	755854010	LYFGPKDJIZKJFW-UHFFFAOYSA-N	300.318	1.811	50	20	DDGD	
Cc1noc(C)c1C(C)(C)C(=O)NNC(=S)N[C@@H](C)C1CC1	855096874	FJOSAHKXHWHKGC-QMMMGPOBSA-N	324.450	1.863	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(C)c(Br)c1	854924915	XBDXXYDKUVDFIR-UHFFFAOYSA-N	316.224	1.838	50	20	DDGD	
Cn1nncc1C=NNC(=O)c1cccc(Br)c1	751133761	RXJUQMNJWPHWHT-UHFFFAOYSA-N	308.139	1.342	50	20	DDGD	
CCn1nc(NC(=O)NNC(=O)c2cccn2C)cc1C1CC1	756888590	XFKQBZUGOGDURK-UHFFFAOYSA-N	316.365	1.585	50	20	DDGD	
C#CCNC(=S)NNC(=O)COc1cc(C)ccc1C(C)C	758170477	CQHQNYGNZCQRKJ-UHFFFAOYSA-N	319.430	1.626	50	20	DDGD	
Cn1nc(C(=O)NNc2cccc(Br)c2)ccc1=O	932498535	XOEMMVWUBARTIO-UHFFFAOYSA-N	323.150	1.300	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](C)c2cccc(O)c2)n1	933985425	HOBULSMJNJULJJ-SNVBAGLBSA-N	302.334	1.746	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1coc(-c2ccccc2Cl)n1	768255384	IKZBUBXYYNNUIR-UHFFFAOYSA-N	323.736	1.527	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)C(F)(F)C2(O)CCC2)o1	764050323	OMADSZNZJHELRC-UHFFFAOYSA-N	314.292	1.663	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1c(O)cccc1Br	863107482	RTZGMSPKCUQGHN-UHFFFAOYSA-N	301.140	1.376	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	864498004	YMBRAPPEYXMTCF-SNVBAGLBSA-N	312.341	1.556	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cc(F)c(N(C)C)cc1F	863122805	NIPOKNNTOJBKIR-GXSJLCMTSA-N	311.332	1.906	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2ccc(C(C)C)cn2)n[nH]1	869017154	IFDSFBXBFPQWAV-UHFFFAOYSA-N	301.350	1.240	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n[nH]1	766026463	VYENOMPSVDXBQU-UHFFFAOYSA-N	318.249	1.298	50	20	DDGD	
CC[C@@H](C(=O)NN=c1cc[nH]c(C)c1)N(C)C(=O)OC(C)(C)C	862515362	RTNMGSRTGDIGFX-ZDUSSCGKSA-N	322.409	1.901	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@](C)(C1CC1)C(F)(F)F	933568586	DBRQXQHOGOCSFX-QOSJWCAFSA-N	323.315	1.473	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1O)c1cccc(F)n1	763958930	JCUKGSWYWAQUBY-UHFFFAOYSA-N	309.684	1.655	50	20	DDGD	
Cn1ncc([N+](=O)[O-])c1C(=O)NNc1cc(F)c(F)cc1F	767093126	IJPARRNWHJYKQQ-UHFFFAOYSA-N	315.211	1.503	50	20	DDGD	
CCC(=NNC(=O)[C@H](C)CN1CCOCC1)c1ccc(N)cc1	863071893	BLBCHMJRCAXEPC-CYBMUJFWSA-N	318.421	1.467	50	20	DDGD	
Cc1ccnc(O)c1C(=O)NNC(=O)Cc1ccccc1F	1116501451	BXYJJDSLXZXROI-UHFFFAOYSA-N	303.293	1.238	50	20	DDGD	
CC(C)(C)c1cnc(CCC(=O)NNC(=O)c2cn[nH]c2)o1	862470979	MFGXDQZHPFPPSM-UHFFFAOYSA-N	305.338	1.089	50	20	DDGD	
CN(CC(=O)NNc1c(F)cccc1F)[C@H]1CCSC1	764305283	XMXXXGTXGVSJTD-VIFPVBQESA-N	301.362	1.845	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccnn1CCC(C)C	764085719	RTMKBTLDJOYINK-LLVKDONJSA-N	323.397	1.061	50	20	DDGD	
Cn1cc(C(=O)NN=C2CCN(c3nccs3)CC2)cn1	764690750	VPDGNWXRYAXJRP-UHFFFAOYSA-N	304.379	1.263	50	20	DDGD	
CC[C@@](C)(NCC(=O)NNC(=O)C(C)C)c1ccc(F)cc1	879127783	AQMPDOAVADDFBA-MRXNPFEDSA-N	309.385	1.844	50	20	DDGD	
N#CCc1ccccc1CC(=O)NNC(=O)Cc1ccncc1	776981624	VWSFHXVQCDDHIF-UHFFFAOYSA-N	308.341	1.080	50	20	DDGD	
COCC#CC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	1118546514	QDVSEGXOVWNUFK-JTQLQIEISA-N	306.387	1.284	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@H](C)c1cc(F)ccc1OC	775141818	BQCQQNQXWYIJSU-NXEZZACHSA-N	311.357	1.431	50	20	DDGD	
CO[C@H](C(=O)NNC(=S)Nc1ccc(N(C)C)cc1)C(C)C	874952911	LQAYVZNBBWHBPK-ZDUSSCGKSA-N	324.450	1.741	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NNC(=O)CC(F)(F)F	878344436	CRMDXLRXPLFFHE-WKEGUHRASA-N	304.272	1.175	50	20	DDGD	
O=C(NCC(Cl)Cl)Nc1cccc2c1CCNC2=O	879893849	CUPXZLGZZBNNSR-UHFFFAOYSA-N	302.161	1.898	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2c(O)cccc2O)cc1	770387382	POTMNBKSMVVLIJ-UHFFFAOYSA-N	316.313	1.246	50	20	DDGD	
O=C(C[C@@H]1C=CS(=O)(=O)C1)NNc1cc(Cl)ccc1F	871272270	OVPHEAFAXXWPNY-QMMMGPOBSA-N	318.757	1.871	50	20	DDGD	
COc1cc(C(=O)NNc2cc(C#N)cc(Cl)n2)ccn1	1116440041	ILAKLIYAWLYAKX-UHFFFAOYSA-N	303.709	1.767	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)C1(Br)CC1	874193799	LYLQWJYUTXHPFX-UHFFFAOYSA-N	302.128	1.038	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCc1ccc(OC(F)F)cc1	875016468	SOKXPXRZMPEVRG-UHFFFAOYSA-N	317.292	1.743	50	20	DDGD	
Cc1cc(F)ccc1S(=O)(=O)NNC(=O)c1ccccn1	873855960	UGGZGKFOOJEVBG-UHFFFAOYSA-N	309.322	1.152	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCc1nnc(C2CCCC2)o1	887145938	XVZHPYMJWVFQCF-UHFFFAOYSA-N	318.377	1.611	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)C2=S=C3CCCC3=C2)o1	770814101	XIMRUMIUHXSUHO-UHFFFAOYSA-N	318.354	1.445	50	20	DDGD	
CN(C)c1ccncc1C=NNC(=O)COc1ccc(C#N)cc1	776179564	VTWBAENHMWVEDA-UHFFFAOYSA-N	323.356	1.548	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1F)C1(CO)CCOCC1	885153286	FDXMGAOYCUMVAH-UHFFFAOYSA-N	304.268	1.336	50	20	DDGD	
CC[C@@H](Nc1ccccc1)C(=O)NNC(=O)C1CCOCC1	883063000	ZODCRGVKLFKQBM-CQSZACIVSA-N	305.378	1.451	50	20	DDGD	
O=C(CN1CCCCC1=O)NNc1c(F)cc(F)cc1F	885151141	WPWUBUGJLZCSHM-UHFFFAOYSA-N	301.268	1.560	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ccc(F)cc2)cn1	784783764	ZWEHICGDNQLZBZ-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCCO[C@@H]1CCOC1	885737709	LXPAXUIIXMIBGB-UZGISAJGSA-N	304.321	1.654	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@H]1CCCN(CC2CC2)C1	882425461	QHKPGJSUXMLLDE-CYBMUJFWSA-N	308.875	1.657	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1cc(F)cc2c1OCOC2	887140417	DBLLMWNYDHDJLC-UHFFFAOYSA-N	320.320	1.186	50	20	DDGD	
O=C(NN=Cc1ccc(SC(F)F)cc1)C(=O)NC1CC1	781588743	XRGAQCWUVASRQN-UHFFFAOYSA-N	313.329	1.730	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccccc1O[C@@H]1CCOC1	782589338	OKTHGMJRHAINJF-LLVKDONJSA-N	307.350	1.663	50	20	DDGD	
CC(Cc1ccccc1F)=NNC(=O)[C@@H]1CCS(=O)(=O)C1	780208366	OOIDQGZCOIAIGB-GFCCVEGCSA-N	312.366	1.295	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccccc1CCC(=O)OC	887152986	CXORDWUPVVBMSC-UHFFFAOYSA-N	316.357	1.357	50	20	DDGD	
COc1ccc(NCC(=O)NN=Cc2ccc(OC)nc2)cc1	780188792	PFCVWBADQLLIHH-UHFFFAOYSA-N	314.345	1.661	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnn(-c2ccccc2Cl)c1	780708133	BIMMRKTYOYBARC-UHFFFAOYSA-N	321.768	1.832	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2cccc([N+](=O)[O-])c2)on1	781431843	WKPKVXFPVAJMOD-UHFFFAOYSA-N	306.234	1.126	50	20	DDGD	
CCCn1cc(NC(=O)C(=O)NNc2ccc(Cl)nc2)cn1	784871534	NNOOGRGCIIZVLI-UHFFFAOYSA-N	322.756	1.423	50	20	DDGD	
C[C@H]1CCCN1CCNC(=O)NNC(=O)CCc1ccccc1	897480328	WXNBOABLGFYRTN-AWEZNQCLSA-N	318.421	1.434	50	20	DDGD	
COC[C@H](C)n1ccc(NS(=O)(=O)CCCCCl)n1	788063088	SHWJWUPRKPOZAY-JTQLQIEISA-N	309.819	1.851	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H](C)[C@H]2CCCOC2)n1	780042417	DAFYJOIXJRBIEB-QWRGUYRKSA-N	309.370	1.235	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccccc1CCC(=O)OC	899939068	FOUWQPRBGRNQPV-UHFFFAOYSA-N	321.402	1.087	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)Cc2cncs2)c1	783697060	LQFFXXBADUVIHR-UHFFFAOYSA-N	311.388	1.232	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	788266134	UQNPTCQICMPRID-INIZCTEOSA-N	314.345	1.165	50	20	DDGD	
O=C(Cc1cccc2cccnc12)NNc1nc2ccccn2n1	791260855	UWSDZWKVPSUITL-UHFFFAOYSA-N	318.340	1.963	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1	897290098	ULKQOKGNPKWKPV-AWEZNQCLSA-N	322.409	1.427	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1NCC(=O)NNC(=O)c1ccc(C#N)cc1	794576286	RSPSTPDHVOBDAX-HIFRSBDPSA-N	314.389	1.488	50	20	DDGD	
CO[C@@](C)(C(=O)NNc1nc2ccccn2n1)c1ccccc1	791243831	RQUIOBBVEPXRJF-MRXNPFEDSA-N	311.345	1.734	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2[nH]ccc2C)cc1C	798308973	SDNIHVROCLHCDU-UHFFFAOYSA-N	314.345	1.340	50	20	DDGD	
O=C(NN=C1COc2ccc(F)cc21)c1ccc(O)c(O)c1	794559049	PWFYBEGOASTTDJ-UHFFFAOYSA-N	302.261	1.763	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)c2ccccc2OC)cn1	796320878	QWEGEIJZCZGTEE-UHFFFAOYSA-N	300.318	1.207	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnc(O)c2ccccc12	798306776	VGEYTAQHPAVMPT-UHFFFAOYSA-N	302.359	1.235	50	20	DDGD	
O=S(=O)(NCC1(CO)CCC1)c1ccc(CCCl)cc1	717670395	JXCAJQDHKMJGCK-UHFFFAOYSA-N	317.838	1.909	50	20	DDGD	
CC(=NNC(=O)Cn1cnc2ccccc21)c1cc(C)n(C)n1	799869276	PCUGSAVNGPNATM-UHFFFAOYSA-N	310.361	1.619	50	20	DDGD	
CC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)c1ccnc(F)c1	794878557	QQKHGXUHNISNLQ-UHFFFAOYSA-N	317.280	1.865	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H](F)CC1CCCCC1	793208552	XVVFJMUXROEIRO-GFCCVEGCSA-N	303.378	1.662	50	20	DDGD	
C[C@@H]1COC(=O)C1=NNC(=O)c1cc(Br)c[nH]1	794888927	NKPXSNLXNUWDPC-RXMQYKEDSA-N	300.112	1.056	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cc(Cl)ccc2O)c1Cl	1319425278	QHYUIKUILSIKLE-UHFFFAOYSA-N	314.132	1.828	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=S)NC(C)C)cc2n1C	1321194212	TYAYWUPPMRZPOZ-UHFFFAOYSA-N	305.407	1.399	50	20	DDGD	
Cc1ncccc1CC(=O)NNC(=O)COc1ccc(F)cc1	1323499775	CMURWBQSRCBXCA-UHFFFAOYSA-N	317.320	1.298	50	20	DDGD	
Cc1ccc(O)c2c1[C@@H](C)CC2=NNC(=O)CS(C)(=O)=O	1331821481	OHUGCUOLIZVMHM-VIFPVBQESA-N	310.375	1.073	50	20	DDGD	
O=C(NNc1ncccn1)c1cnc(O)c(Br)c1	1339480406	WHJFBHAGHBAIKF-UHFFFAOYSA-N	310.111	1.097	50	20	DDGD	
Cc1nn(Cc2ccccc2)c(C)c1C=NNC(=O)CCO	1339923697	BHJQOMPBVDNHMC-UHFFFAOYSA-N	300.362	1.381	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)CCNc1ccccc1	1330119768	URPVFLZCWBPLQU-UHFFFAOYSA-N	324.450	1.363	50	20	DDGD	
C=C[C@H](COC)NC(=O)NNC(=O)c1cc2c(s1)CCC2	1342745652	VKCHFNFKIDKNMA-SNVBAGLBSA-N	309.391	1.382	50	20	DDGD	
CC(C)CN1CCC[C@H]1C(=O)NNC(=O)c1ccc(Cl)nc1	1262602961	SPVQBPKEZCGXKF-LBPRGKRZSA-N	324.812	1.616	50	20	DDGD	
CN(Cc1ccn(C)n1)C(=O)NC[C@@]1(C)C[C@H]1Br	1341859847	QPOKSQYTGGICCA-ZYHUDNBSSA-N	315.215	1.735	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc(-n2cccn2)cc1	1350850137	FDBUPZZFNILPHZ-UHFFFAOYSA-N	314.345	1.060	50	20	DDGD	
CCCn1cc(C(=O)NNc2ccc(C(=O)OC)cn2)c(C)n1	1358091627	RHLGFXLRMIMDSA-UHFFFAOYSA-N	317.349	1.540	50	20	DDGD	
CCC(CC)(C(=O)O)C(=O)NNc1cnnc2ccccc12	1603526015	QELGJILXNHXLRS-UHFFFAOYSA-N	302.334	1.964	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2CCCC2)cc1-c1nn[nH]n1	1605821637	WMOGNLBOOZULED-UHFFFAOYSA-N	314.349	1.126	50	20	DDGD	
N#Cc1ccc(NNC(=O)Nc2ccc(F)c(C(=O)O)c2)nc1	1608208641	ITKFMMNWNXMEOF-UHFFFAOYSA-N	315.264	1.939	50	20	DDGD	
O=C(O)Cn1ccc(NC(=O)NNc2cccc(Cl)n2)n1	1602165292	CKYICMQLXSQHDG-UHFFFAOYSA-N	310.701	1.165	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1	1608936171	CIYDMFRPQMGHKJ-UHFFFAOYSA-N	317.257	1.756	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@H]2CCn3ccnc3C2)ccc1F	1608856865	UVGSBVHOVXSNHN-VIFPVBQESA-N	318.308	1.426	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2ccc(F)c(C(=O)O)c2)c1[N+](=O)[O-]	1607500499	QFLHOBNRSQKNPY-UHFFFAOYSA-N	323.240	1.221	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1ccc(C(=O)O)s1	1601242291	IEQRZMLBZDNGSD-UHFFFAOYSA-N	311.241	1.551	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cccc3ncnn23)c(F)c1	1602382946	KUDDTAMZBROOCU-UHFFFAOYSA-N	315.264	1.324	50	20	DDGD	
O=C(CCc1ncccn1)NNc1ccc(C(=O)O)c(Cl)c1	1601295310	ZEANQLUNUKOWBH-UHFFFAOYSA-N	320.736	1.904	50	20	DDGD	
Cc1ccc(C(=O)O)cc1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	1600359717	YNFBPNVJNWGLNS-GXSJLCMTSA-N	321.333	1.271	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2cccn2[C@H](C)C(=O)O)n1	1610546809	LUPFNEYBRRRRAG-SNVBAGLBSA-N	320.374	1.591	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1cnccc1C	1549322420	YZPREHVNOYRZNB-ZFWWWQNUSA-N	302.378	1.093	50	20	DDGD	
O=C(NN=CCc1ccc(F)cc1)[C@@H]1CN2CCC[C@H]2CO1	1549319032	SBFRAOKLCPBXRK-GJZGRUSLSA-N	305.353	1.333	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@H]1C(=O)NN=C1CCCOC1	1549310948	OLGBORAKTPNLOK-OLZOCXBDSA-N	306.366	1.170	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1C[C@H]2C[C@H](C(=O)O)[C@H]1C2	1610557324	XEKXEYBKWMTWRI-PRJMDXOYSA-N	308.363	1.250	50	20	DDGD	
Cn1cc(C(=O)NN=C[C@H]2CCCO[C@@H]2c2nccn2C)cn1	1552448337	AZKZJYBGOKUBNM-YPMHNXCESA-N	316.365	1.037	50	20	DDGD	
CC1(C)[C@@H](N)C[C@@H]1C(=O)NNC(=O)Nc1cc(F)cc(F)c1	1576370976	IACPYRHRZDGMST-MNOVXSKESA-N	312.320	1.491	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CC(=O)NNC(=O)CCCCCN	1579916675	DJOXDISLJSXZMH-SNVBAGLBSA-N	310.398	1.452	50	20	DDGD	
COC/C=C/C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1579749721	DPLOCTHXCZCBOO-NSCUHMNNSA-N	308.729	1.166	50	20	DDGD	
CC[C@@H](CNC(=O)NNc1ccc([N+](=O)[O-])cc1F)C(=O)O	1589539503	VHHZHVSLZSYSNE-ZETCQYMHSA-N	314.273	1.471	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N[C@H]1C[C@@H](C(=O)O)C1)c1ccccc1	1588610018	IWQSKAFIMGAWJR-KLPPZKSPSA-N	319.361	1.158	50	20	DDGD	
O=C(C[C@@H]1C[C@H]1Cc1ccccc1)NNC(=O)C1CCNCC1	1580565521	FQYBWSCRLICCOS-CVEARBPZSA-N	315.417	1.402	50	20	DDGD	
N#CC1=CCN(CCC(=O)Nc2ccccc2-c2nn[nH]n2)CC1	1581856832	GMLWBSDDNVQGSU-UHFFFAOYSA-N	323.360	1.351	50	20	DDGD	
CCc1cc(CNC(=O)NNc2ccc(C(=O)O)cc2F)n[nH]1	1597478167	DWDPUMZOTKCDLV-UHFFFAOYSA-N	321.312	1.636	50	20	DDGD	
COc1ccc(NNC(=O)c2coc(/C=C/C(=O)O)c2)nc1	1594105346	IWEVQKRAWVMAGP-HWKANZROSA-N	303.274	1.538	50	20	DDGD	
CCCc1ccc([C@@H](NC(=O)NNC(=O)C(=O)O)C(C)C)cc1	1596063119	QEVMXSRJJZYYBK-ZDUSSCGKSA-N	321.377	1.751	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1ccc(Cl)c(C(=O)O)n1	1596864965	YMJBNLWJEJTXBP-BQYQJAHWSA-N	309.709	1.493	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)c1C	1593896612	CQIGGUXVOLKEET-WDEREUQCSA-N	320.345	1.726	50	20	DDGD	
O=C(O)CCCC(=O)NNC(=O)c1cccc2ncccc12	1595027886	VAGLSUZETIIXRN-UHFFFAOYSA-N	301.302	1.251	50	20	DDGD	
COc1coc(C(=O)NNc2ccc(C)c(C(=O)O)c2)cc1=O	1599727678	NKBLHQYHMQRGRX-UHFFFAOYSA-N	318.285	1.412	50	20	DDGD	
CNc1ncc(C(=O)NNc2cccc(C(=O)O)c2F)s1	1598681581	UZRGPEZMVLSHCD-UHFFFAOYSA-N	310.310	1.779	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@]2(C(=O)O)CC=CCC2)c1	1593897498	PAWFANRCSMKVSI-INIZCTEOSA-N	318.329	1.727	50	20	DDGD	
C[C@]1(CNC(=O)NNc2cccc(C(=O)O)c2F)CCCO1	1594020783	UMEKSCVHSLEKOV-CQSZACIVSA-N	311.313	1.719	50	20	DDGD	
CC[C@H](C)CONC(=O)NNc1cccc(-c2nn[nH]n2)c1	1590410453	OFAZLGDSSAYABV-VIFPVBQESA-N	305.342	1.471	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)O)c(O)c1)c1ccc(O)cc1	1776012391	CRXXUQZWDVZTBH-UHFFFAOYSA-N	300.270	1.560	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NN=Cc1cc(C(=O)O)c(Cl)s1	1776101900	BLVUDPBZABGAJQ-CBAPKCEASA-N	316.766	1.975	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cc(C#N)ccc1C(=O)O	1776082173	BGVAOBGFTHSNOS-CABZTGNLSA-N	301.302	1.132	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1ccnn1CC1CC1	160157296	YUIDBJGOJMFEFK-UHFFFAOYSA-N	314.349	1.084	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)[nH]n1	152998375	ZFLXMGDGYLAOIC-CQSZACIVSA-N	314.345	1.100	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)[nH]n1	153304979	XVFOAYHOCBPODJ-ZJUUUORDSA-N	320.299	1.561	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CC(=O)NNC(=O)NCC(F)(F)F	155516612	HHPFFPWZNSKBGB-ZCFIWIBFSA-N	322.287	1.678	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)/C=C/c1ccc(C)o1	156120364	JDNYFXHFPUHFGS-CMDGGOBGSA-N	307.350	1.053	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cccc2[nH]c(=O)oc12)C1CC1	154118687	GKKUKGUSNLXDBG-SSDOTTSWSA-N	320.374	1.029	50	20	DDGD	
COc1ccc(NNC(=O)NCCCNc2ccccn2)nc1	157335029	LNCSBRKQZUQTBT-UHFFFAOYSA-N	316.365	1.614	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCCCCl)C(=O)Nc1ccccc1	154183628	YYKIRZIAGODMCE-LLVKDONJSA-N	318.826	1.952	50	20	DDGD	
C#CCSCCNC(=O)NNC(=O)c1cccc(N(C)C)c1	154864565	BVDOLBFPPFFDJS-UHFFFAOYSA-N	320.418	1.063	50	20	DDGD	
O=S(=O)(c1ccc(CCCl)cc1)N1C[C@@H]2[C@@H](CO)[C@@H]2C1	813734990	YRKDUPGTYDSNOU-WDNDVIMCSA-N	315.822	1.327	50	20	DDGD	
COCC(=O)NNC(=S)Nc1cccc(C(F)(F)F)c1	6568947	QWGFHGRCEHMVIH-UHFFFAOYSA-N	307.297	1.669	50	20	DDGD	
C=C(C)CNC(=S)NNC(=O)Cc1c[nH]c2ccccc12	7660268	RHRKGIRHAZEJSA-UHFFFAOYSA-N	302.403	1.782	50	20	DDGD	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NN=C2CCCC2)cc1	7994751	KJYSSXCIZMPDMR-UHFFFAOYSA-N	323.418	1.662	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1oc(C(C)C)nc1C#N	58273404	IAIAJKPJHILXRL-UHFFFAOYSA-N	309.326	1.249	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@H](C)CN2CCCCC2)n1	57041494	OELRNIGCNPYXKW-GFCCVEGCSA-N	322.413	1.233	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N(C)Cc1cccnc1	109361161	KBPWYXJVPMLMPL-UHFFFAOYSA-N	314.345	1.577	50	20	DDGD	
O=C(CCCCN1CCOCC1)NNc1ccc(F)cc1F	178974742	HCMIDYGVXAIRJD-UHFFFAOYSA-N	313.348	1.910	50	20	DDGD	
CCN(CC)C(=O)CCCNC(=O)NNc1ccc(C)nn1	106264460	CJCJUKXRASBBOU-UHFFFAOYSA-N	308.386	1.060	50	20	DDGD	
CS[C@@H]1CCC[C@@H](NC(=O)NNC(=O)Cc2cccnc2)C1	117512073	UGPVNQBHLSQYCX-CHWSQXEVSA-N	322.434	1.629	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNC(=O)CCc1ccc(OC)cc1	65558841	GMOLDGAWALXSGL-ZDUSSCGKSA-N	322.405	1.980	50	20	DDGD	
Cc1cc2c(cc1C)O[C@H](C(=O)NNC(=O)c1cccnc1)C2	173034535	CJLZLTSKWATFTN-HNNXBMFYSA-N	311.341	1.463	50	20	DDGD	
COc1ccc(C)cc1NC(=O)C(=O)NNc1ccc(C#N)cc1	119644200	MKGMHHVEXNTREV-UHFFFAOYSA-N	324.340	1.957	50	20	DDGD	
O=C(NNC(=O)c1ccc(OC(F)(F)F)cc1)NC1CC1	64429056	WRNDHTLFPUFLGG-UHFFFAOYSA-N	303.240	1.692	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@@H]2CCOC2)ccc1OC(C)C	66896727	HYFJCWFRAWALIB-GFCCVEGCSA-N	322.361	1.280	50	20	DDGD	
Cc1nc(CCCC(=O)NNC(=O)c2cccnc2)cs1	178858568	XWLAXEUVPOSYJB-UHFFFAOYSA-N	304.375	1.630	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NC[C@H]1Cc2ccccc21	176258438	JXMMKUPOQQSZTI-CQSZACIVSA-N	310.357	1.294	50	20	DDGD	
Cc1cc(F)cc(C(=O)NNC(=O)c2cccn2C)c1[N+](=O)[O-]	121416167	OVWDWNVHQTYUHC-UHFFFAOYSA-N	320.280	1.456	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cc2ccc3c(c2)CCO3)cc1	61465053	WGOVFMGAXKWOKQ-UHFFFAOYSA-N	321.336	1.497	50	20	DDGD	
CCN1C[C@@H](C(=O)NNC(=O)CCCc2ccccc2)CC1=O	68052835	FRBJSDKUJOWKII-AWEZNQCLSA-N	317.389	1.025	50	20	DDGD	
C[C@H](CC(=O)NNc1ncc(F)cn1)NC(=O)C1CCCCC1	123381329	MVDPHEGDAAMUOD-SNVBAGLBSA-N	323.372	1.534	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNc2ncc(F)cn2)ccc1C	122678663	NKXMYQDRWLDGOD-UHFFFAOYSA-N	303.297	1.639	50	20	DDGD	
O=C(NCCC[C@@H]1CCCCO1)NNc1nc2ccccn2n1	189975571	PHYCLQIPLXMFCG-LBPRGKRZSA-N	318.381	1.705	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)COc1ccccc1	78192526	TWAIXPVDYBTSNU-UHFFFAOYSA-N	314.341	1.430	50	20	DDGD	
Cc1ccccc1OCC(=O)NNC(=O)CNc1ccccc1	73302144	WLHJWMOUOJNADS-UHFFFAOYSA-N	313.357	1.633	50	20	DDGD	
CCCc1cnc(NC(=O)NNC(=O)c2cnn(C)c2)s1	184058645	KJOYXYVNHXRMRG-UHFFFAOYSA-N	308.367	1.296	50	20	DDGD	
COc1cc(CNS(=O)(=O)CCCCCl)ccc1O	154306946	WAGLPRZALOAHNW-UHFFFAOYSA-N	307.799	1.839	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccc[nH]1)c1nc2ccccc2[nH]1	127595119	IHMPUQYEESYVBJ-VIFPVBQESA-N	312.333	1.596	50	20	DDGD	
CNS(=O)(=O)c1ccc(C(=O)NNc2ccc(C)cc2)cc1	124109954	VKPAOHZHQYJYEU-UHFFFAOYSA-N	319.386	1.660	50	20	DDGD	
O=C(CNC(=O)c1cccc(Cl)c1)NNc1ncc(F)cn1	122645077	PDPKLNLBGHMSNV-UHFFFAOYSA-N	323.715	1.142	50	20	DDGD	
COc1ccnc(NNC(=O)c2cccnc2Br)n1	126355824	JZAPOXJVECHSFD-UHFFFAOYSA-N	324.138	1.400	50	20	DDGD	
O=C(NNc1ncccn1)c1ccc(-c2nnc(S)o2)cc1	123209115	FUGVUYRVZUODEP-UHFFFAOYSA-N	314.330	1.572	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CSCc2c(C)noc2C)o1	84284097	BMMDVCOSFQKPNL-UHFFFAOYSA-N	323.374	1.887	50	20	DDGD	
COCCOc1ccc(CC(=O)NNC(=O)C(C)(C)C)cc1	192076479	IWFOCYXMSDSGPQ-UHFFFAOYSA-N	308.378	1.448	50	20	DDGD	
O=C(CCOCC(F)F)NNC(=O)c1cccc2ncccc12	191426896	CJRBUJOQKJFZDV-UHFFFAOYSA-N	323.299	1.668	50	20	DDGD	
CC(C)CN1N=C(C(=O)NNc2ccc(Cl)nn2)CCC1=O	139363998	YJYVDFJZPUWJSY-UHFFFAOYSA-N	324.772	1.208	50	20	DDGD	
CCSc1cc(C(=O)NNc2nc3ccccn3n2)ccn1	191921906	OWJLVBPKNXPHTC-UHFFFAOYSA-N	314.374	1.993	50	20	DDGD	
Cc1cccc(C)c1OCC(=O)NNC(=O)Cc1ccncc1	81025712	ISUFSNZGQUGPSQ-UHFFFAOYSA-N	313.357	1.467	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@](C)(N)c2ccccc2)n1	192484302	CTSGIJMIZOKPDI-OAHLLOKOSA-N	301.350	1.111	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(C#N)cc2C)o1	84461451	ZLSWJYCUZGEKMC-UHFFFAOYSA-N	319.342	1.391	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)c1ccc[nH]1)c1ccccc1F	191881731	OUJQGIBCJSLZOC-HNNXBMFYSA-N	305.309	1.477	50	20	DDGD	
CSc1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)ccn1	97026560	ABCGOSJGBPUMDE-UHFFFAOYSA-N	319.361	1.946	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NNc2cccnn2)C1	265495957	XXTVEBKZVMCJCY-SNVBAGLBSA-N	322.369	1.112	50	20	DDGD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NNc1ncnc2ccsc12	268973018	LYHSLOLUVALFED-UWVGGRQHSA-N	322.390	1.719	50	20	DDGD	
CCN(CC)S(=O)(=O)NNC(=O)CCCc1ccccc1	264888031	WOTAMBIAOCWOOF-UHFFFAOYSA-N	313.423	1.217	50	20	DDGD	
CN(C)N(C(=O)c1ccc2[nH]ccc2c1)[C@@H]1CCS(=O)(=O)C1	264662849	SQTGMGWCBHBJQV-CYBMUJFWSA-N	321.402	1.274	50	20	DDGD	
O=C(NNc1ncccn1)N[C@@H]1CCO[C@]2(CCSC2)C1	269170459	XQKKTVJNNWHZTF-ZWNOBZJWSA-N	309.395	1.157	50	20	DDGD	
CC1CCN(CC(=O)NNc2nc(-c3cccnc3)no2)CC1	268541402	LETLMCJPUJCNBO-UHFFFAOYSA-N	316.365	1.307	50	20	DDGD	
CC(C)N1C[C@@H](NC(=O)NNc2c(F)cccc2F)CC1=O	267555273	DXOFZTNATYLKNQ-VIFPVBQESA-N	312.320	1.600	50	20	DDGD	
COCC[C@H](C)NC(=O)NNC(=O)COc1cc(C)ccc1C	263739100	OGFMCCXKFOBDGD-ZDUSSCGKSA-N	323.393	1.438	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CCc3[nH]ncc3C2)c1	272841409	QQIKEBWLTLTTMT-SNVBAGLBSA-N	314.345	1.445	50	20	DDGD	
CC(C)[C@@H]1C[C@H](NC(=O)NNc2nc3ccccn3n2)CCO1	277009376	ZLHNWEFOVVUCQH-NEPJUHHUSA-N	318.381	1.559	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCC[C@H](C)CO)cc(C#N)n1C	270437691	KJJRBHHFVBGQJZ-QNKXHIPISA-N	314.389	1.637	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C1CCC1)n1ccc2ccccc2c1=O	279536032	WKSADUFGXZFHLK-NSHDSACASA-N	313.357	1.510	50	20	DDGD	
COC(=O)c1cc(S(=O)(=O)N2CC=C(C#N)CC2)c(C)o1	273713396	QKRSNIVAGXZFDL-UHFFFAOYSA-N	310.331	1.219	50	20	DDGD	
O=C(NNc1cnccn1)c1ccc(O[C@H]2CCOC2)cc1	279897754	ZNMZKJBKEXEJQZ-ZDUSSCGKSA-N	300.318	1.401	50	20	DDGD	
COC(=O)[C@@H]1CN(C(=O)NNC(=O)c2ccccc2C)C[C@H]1C	279623135	KGGGPUDCHSXMNC-DGCLKSJQSA-N	319.361	1.090	50	20	DDGD	
CCCOc1ccc(NC(=O)C(=O)NNC(=O)C2CCC2)cc1	274014580	APTWSHIYOAADGV-UHFFFAOYSA-N	319.361	1.361	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)c2c[nH]c3ccccc23)CCO1	272078075	MIPLAQFLVUKMIH-WDEREUQCSA-N	301.346	1.744	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCOC[C@H]1[C@H]1CCCO1	375660338	MEYIXBQIJBMUHP-NWDGAFQWSA-N	311.831	1.215	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CC[C@]2(C1)C(=O)Nc1ccccc12	375289870	YLSGRFBEJYKXSJ-DPCFLFMUSA-N	311.341	1.553	50	20	DDGD	
CSSCCNC(=O)CNC(=O)Cc1ccc(O)cc1	285642910	IPGRGTNJLFNHJZ-UHFFFAOYSA-N	314.432	1.178	50	20	DDGD	
O=C(C[C@@H]1COCCN1)NNc1ccc(Cl)cc1[N+](=O)[O-]	285666256	KDPUGCSOINYZSF-SECBINFHSA-N	314.729	1.070	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cnc(C2CCCC2)nc1N	289088437	OLZCHABSDNFAEP-UHFFFAOYSA-N	305.382	1.524	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNC(=O)c1ccccc1)c1nncn1C	286502396	KKROGOKKHZHCMT-GFCCVEGCSA-N	316.365	1.156	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2CCc3cnn(C)c3C2)n1	282182732	DKBXSEBOGGBHPL-SNVBAGLBSA-N	301.350	1.072	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)[C@@H]1CCCO1	292086604	GGWNAHCTBXVMHQ-BREBYQMCSA-N	310.300	1.395	50	20	DDGD	
CC[C@H](C)CC(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	291128857	GQMKQDBUFGRSPO-NSHDSACASA-N	313.423	1.816	50	20	DDGD	
O=C(CN1Cc2ccccc2C1=O)NNc1ncccc1F	804217502	BGPVJHCLGSEWAG-UHFFFAOYSA-N	300.293	1.320	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1ncc(F)cc1F	297023440	SNUHEZMLWIZGLN-UHFFFAOYSA-N	302.281	1.281	50	20	DDGD	
COCCOCc1ccc(C=NNC(=O)c2cccn2C)cc1	807959729	YRSZLHHFHAQALK-UHFFFAOYSA-N	315.373	1.952	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)/C=C/c2ccnc(Cl)c2)O1	293821385	FKYOYADWBQTFLM-JAQYDWNVSA-N	309.753	1.463	50	20	DDGD	
O=C(NCc1nc(C2CC2)cs1)NNC(=O)[C@H]1CCCCO1	296515825	ONSRYJBTEJUDGJ-LLVKDONJSA-N	324.406	1.420	50	20	DDGD	
CCc1ccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1	298103492	SQILTGJZYYLDQO-AWEZNQCLSA-N	310.419	1.355	50	20	DDGD	
CCCOc1ccc(/C=C/C(=O)NNC(=O)N(C)C)cc1OC	299388833	QLTIKFTULBPPHC-VQHVLOKHSA-N	321.377	1.800	50	20	DDGD	
CCCC[C@H](C)C(C)=NNC(=O)N[C@H]1CCS(=O)(=O)C1	807965471	XPSLHBSPYHIDOW-JQWIXIFHSA-N	303.428	1.675	50	20	DDGD	
CC(=O)NNC(=O)CCc1nc(O)c2c(C)c(C)sc2n1	299266145	UVRXXHSWPUSNTF-UHFFFAOYSA-N	308.363	1.114	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@H](c1ccsc1)N(C)C	298673778	VDEUQCYCJJJZEM-GFCCVEGCSA-N	312.439	1.727	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2ccnc(F)c2)cc1F	810397601	UECGRXSUJGXAJY-UHFFFAOYSA-N	317.255	1.313	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNC(=O)Cc1ccc2ccccc2c1	810152079	LMHCTOWHRUJSGI-GOSISDBHSA-N	312.369	1.857	50	20	DDGD	
NC(=O)NN=Cc1cn(-c2ccccc2Br)nn1	811628565	BJAQOMHHXUCABP-UHFFFAOYSA-N	309.127	1.032	50	20	DDGD	
O=C(NNC(=O)c1cccc2ncccc12)NOC/C=C\Cl	811982345	SPWNUGZKFWKHIH-CLTKARDFSA-N	320.736	1.863	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNc1cccc(S(C)(=O)=O)c1	812543231	GDAHEXODDXGIDN-MNOVXSKESA-N	314.407	1.452	50	20	DDGD	
COCC(Cc1ccccc1)=NNC(=O)Cc1cc(C)[nH]n1	814788433	UJJKACNNLMYGTF-UHFFFAOYSA-N	300.362	1.622	50	20	DDGD	
CN(NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)C1CC1	819643254	VZUHCVNXOWVFTD-UHFFFAOYSA-N	303.406	1.839	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H]2CCCC[C@H]2C)c1O	819845296	FWZOWPPORZUUSA-GHMZBOCLSA-N	306.362	1.988	50	20	DDGD	
NS(=O)(=O)c1ccc(C=NNC(=O)c2ccccc2)cc1	811628666	HVESOBVXDJHEJS-UHFFFAOYSA-N	303.343	1.098	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)C	729512537	JJAHNXCIMGPNHS-LBPRGKRZSA-N	314.430	1.302	50	20	DDGD	
COCCOc1ccc(C#N)cc1NC(=O)NN(C)C1CC1	824278174	AZYUMPISYWGELR-UHFFFAOYSA-N	304.350	1.714	50	20	DDGD	
CC(C)C1(C)CCN(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CC1	827284683	XSMHRZFWHLBORV-CHWSQXEVSA-N	311.426	1.910	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)/C=C\c2ccc[nH]2)c1	492857948	YQPQQHFWAKKNDV-FPLPWBNLSA-N	314.345	1.296	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc2c(c1)OC(F)(F)O2	822777352	CRGOIVLSOMXIMO-UHFFFAOYSA-N	315.276	1.752	50	20	DDGD	
Cc1nnc(CCC(=O)NNc2cc(C(F)(F)F)ccn2)o1	823218529	KEVZQPGASBGOSO-UHFFFAOYSA-N	315.255	1.868	50	20	DDGD	
CCn1cc(/C=C(/C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)cn1	825800021	ZPOJKHZWYJJSRI-NSIKDUERSA-N	319.328	1.873	50	20	DDGD	
CCN(CCO)NC(=O)c1c(C)cccc1Br	823884893	NXFFGUFMOOLTFX-UHFFFAOYSA-N	301.184	1.717	50	20	DDGD	
CC/C(C)=C(\C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	825050685	KYJGPVCXFARIQY-MDZDMXLPSA-N	314.349	1.374	50	20	DDGD	
O=C(NN=Cc1ccc(-c2nn[nH]n2)s1)NC1CCCC1	823273464	OJKRNSHHINFRKU-UHFFFAOYSA-N	305.367	1.504	50	20	DDGD	
O=C(/C=C\SCc1ccco1)NNC(=O)c1ccccn1	492107243	HIBGRJNXQXCARZ-TWGQIWQCSA-N	303.343	1.883	50	20	DDGD	
CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NNc2ccccn2)C1	492721639	DQEAVQABIFNRNH-NSHDSACASA-N	318.377	1.782	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=O)c2ccc(OC)cc2OC)CC1	823148212	IFYLMRNAJRGXOU-UHFFFAOYSA-N	320.345	1.224	50	20	DDGD	
CN1CC[C@@H](C(=O)NNC(=O)c2cc(-c3ccccc3)on2)C1	729654757	VWTDERBGCSVUIY-GFCCVEGCSA-N	314.345	1.054	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@H](C)[C@H]3CCC(=O)N3)nc12	828358243	IXZMRFCGAPPLLZ-NXEZZACHSA-N	318.402	1.963	50	20	DDGD	
CC[C@](O)(CNCc1ccc(B(O)O)o1)c1ccc(Cl)cc1	585037351	ZSMWDKXQIGMZEL-HNNXBMFYSA-N	323.585	1.000	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1c(C)cccc1SC	495387233	FAVAYSJZPXECMN-UHFFFAOYSA-N	311.363	1.433	50	20	DDGD	
COC[C@@H](NCc1cccc(B(O)O)c1)c1cccc(Cl)c1	585040453	FMRVWUUEWHZXKR-MRXNPFEDSA-N	319.597	1.497	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CC=CCC2)cc(-c2nn[nH]n2)n1C	826235088	BKUJVUYRETUWTJ-MDWZMJQESA-N	323.360	1.209	50	20	DDGD	
C[C@H](CCc1ccc(F)c(F)c1)NCc1ccccc1B(O)O	585024397	VWXMFLSRPCVDQY-GFCCVEGCSA-N	319.160	1.756	50	20	DDGD	
CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1	585002597	ZWUXTPIAKFFJOQ-SMDDNHRTSA-N	307.174	1.450	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1csc(C(=O)OC)c1	901421643	FESURCRVLHZVQP-IZZDOVSWSA-N	308.359	1.594	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21	905138401	OPKZVZMSSRZUJG-XFBWCDHKSA-N	311.341	1.083	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C	495764721	YFHSIQJPEBCUKU-VIFPVBQESA-N	301.343	1.115	50	20	DDGD	
Cn1ncc(CCCNC(=O)[C@@]2(C)C[C@@H]2Br)n1	908420294	UIVQQXJZFBMPDC-ONGXEEELSA-N	301.188	1.037	50	20	DDGD	
CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)NN(C)C(N)=O	494433262	DTOVUQWLUPXRBG-ZDUSSCGKSA-N	302.375	1.112	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)NNc2ccc(C(=O)O)cn2)c1C	833400848	OCAUWYJYZNXPJM-UHFFFAOYSA-N	316.317	1.684	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCC[C@@H](CC(F)(F)F)C1	584998833	BALKFBRBRZBJHQ-JTQLQIEISA-N	315.100	1.171	50	20	DDGD	
COc1ccc(S[C@@H](C)C(=O)N2CC[C@@H](B(O)O)C2)cc1	585069932	UBRPAOXSCWUFDF-WDEREUQCSA-N	309.196	1.251	50	20	DDGD	
CCC(C)(C)NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c1cnn(C)c1	837969402	NKVBPGZIDBNGRP-DELQEKLWSA-N	318.377	1.564	50	20	DDGD	
O=C(CN1C(=O)CCc2ccccc21)NNC(=O)C1CCCC1	731971233	LBQCRKJWLPLKRY-UHFFFAOYSA-N	315.373	1.303	50	20	DDGD	
COc1cccc(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)c1	737131988	ZNTJMNLQPABUBL-UHFFFAOYSA-N	322.328	1.639	50	20	DDGD	
CSc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	831161388	XREUXJKDNHVOQB-SKDRFNHKSA-N	309.391	1.986	50	20	DDGD	
C[C@@]1(C(=O)N2CCC3(CC2)CNC(=O)O3)C[C@@H]1Br	907602121	MDPMYGXNPRCWFF-GZMMTYOYSA-N	317.183	1.261	50	20	DDGD	
CN1CCC[C@H](CNC(=O)NNC(=O)c2ccccc2F)C1	731123311	ALUDSJBFQIPBHZ-LLVKDONJSA-N	308.357	1.112	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1cnn(-c2ccc(F)cc2)c1	735411741	SAHXVHCFEBNRRD-UHFFFAOYSA-N	312.308	1.807	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2cc(Cl)ccc2O)CCCCO1	839479132	QNSJTUGONIAWOL-CQSZACIVSA-N	312.753	1.766	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)C1CC1)c1cccc(C(F)(F)F)c1	905747644	QBRFPGYPZQKBSM-NSHDSACASA-N	316.279	1.950	50	20	DDGD	
CC(CN1Cc2ccccc2C1=O)=NNC(=O)[C@@H]1CCCCO1	834987287	VZLRNUOQTRWUSM-HNNXBMFYSA-N	315.373	1.704	50	20	DDGD	
COCCCOCCN(C)C(=O)[C@@]1(C)C[C@H]1Br	907215057	KHUCVISUGVTNHO-PWSUYJOCSA-N	308.216	1.671	50	20	DDGD	
C#CCCCC(=O)NN=C(C)c1ccc(S(C)(=O)=O)c(F)c1	901324315	MUSOXGDKAMSEHD-UHFFFAOYSA-N	324.377	1.873	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccc(C)nn2)c(C)c1	839482938	PWRSXHURBOOLIJ-UHFFFAOYSA-N	313.361	1.275	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=C/C=C/c1ccccc1[N+](=O)[O-]	585657349	IVJHVCLTOWAJEH-ILLSEFGJSA-O	311.321	1.698	50	20	DDGD	
O=C(NNc1cccc(C(F)(F)F)c1)C1(n2cnnn2)CC1	830762745	WXUUINXRCFVFAB-UHFFFAOYSA-N	312.255	1.324	50	20	DDGD	
COC(=O)CSCCC(=O)NNC(=O)CCc1ccccc1	730774529	IJDKFUZTTZHFGB-UHFFFAOYSA-N	324.402	1.063	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNc1ccc(C(=O)O)cn1	833443324	VVXSMTKADWPHNK-UHFFFAOYSA-N	324.337	1.138	50	20	DDGD	
CC(C)c1ccc(NNC(=O)NC[C@@H](C)S(C)(=O)=O)cc1	838527737	WDEOYLJKRQJXJO-LLVKDONJSA-N	313.423	1.869	50	20	DDGD	
O=C(C=C1CCSCC1)NNC(=O)c1cccc(Cl)n1	912508953	XUZRITYMRLEMAP-UHFFFAOYSA-N	311.794	1.949	50	20	DDGD	
C=C[C@@H]1CCCCN1CC(=O)NNC(=O)c1ccc(F)cc1	839585306	HHRQEUZPSCECFE-CQSZACIVSA-N	305.353	1.627	50	20	DDGD	
COc1ncc(C(=O)NNC(=S)Nc2cccc(C)c2)cn1	734025671	AURBDIVDKWCTCS-UHFFFAOYSA-N	317.374	1.425	50	20	DDGD	
CC(C)=CCC[C@@H](C)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1	838658316	WVBKODKWJPQJGX-TZMCWYRMSA-N	317.455	1.502	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(CSc2nccn2C)o1	910169718	WDQJUVVRIVOXQN-JTQLQIEISA-N	324.406	1.263	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@H](CN1CCCC1)c1ccccc1	831868215	SNWDWKBUOFMQCS-QGZVFWFLSA-N	310.401	1.826	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C1CCCC12CCC2	834961917	OMAZOZSRJGDIEH-UHFFFAOYSA-N	300.362	1.638	50	20	DDGD	
NC(=O)c1ccc(C=NNC(=O)c2ccc(Cl)nc2)cc1	915975956	NDTYAJIXPWSELB-UHFFFAOYSA-N	302.721	1.598	50	20	DDGD	
Cc1nc2ccnn2c(C)c1CCC(=O)NNC(=O)C(C)(C)C	917180764	WFZUFMWAYXTWGN-UHFFFAOYSA-N	317.393	1.472	50	20	DDGD	
COc1ccccc1C(=O)NN=C1CCCC[C@@H]1S(C)(=O)=O	741463533	DHVMQEZXPDNOME-AWEZNQCLSA-N	324.402	1.768	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cn(-c2ccccc2C)nn1	840285778	FQUQMKPNTFRWEB-UHFFFAOYSA-N	316.365	1.320	50	20	DDGD	
CCOC(=O)C(C)(C)ONC(=O)[C@]1(C)C[C@H]1Br	912268209	KGOMBLPNEVOIFH-RDDDGLTNSA-N	308.172	1.549	50	20	DDGD	
COc1ccccc1C1(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CC1	843648778	RRHINXQTGGMSMG-VXGBXAGGSA-N	318.373	1.299	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)NC[C@@H]1CCC[C@H]1C1CC1	840392308	HYOBCTQSROZGRL-JSGCOSHPSA-N	317.393	1.666	50	20	DDGD	
O=C(NNC(=O)c1ccc(Br)nc1)c1ccccc1	746504807	XNZBMUSKHMGCIG-UHFFFAOYSA-N	320.146	1.919	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=Cc1ccc(O)cc1O	915931079	GFAHQHPQOKVBRU-UHFFFAOYSA-N	310.313	1.818	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(Oc2ccccc2)cn1	910150373	QPFZYCHBZVMBNO-LBPRGKRZSA-N	301.346	1.831	50	20	DDGD	
Cc1cccc(NC(=O)NN(C)C(=O)N2CCNCC2)c1C	841001298	MHHDWVBQRNJZIA-UHFFFAOYSA-N	305.382	1.297	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cnn(-c2ccc(F)cc2)c1	843767524	IMZBIULBAOIZHP-UHFFFAOYSA-N	304.325	1.819	50	20	DDGD	
O=C(NNc1ncncc1F)N[C@@H]1CCCN2CCCC[C@H]12	848675276	VXANOKIPOKUREW-VXGBXAGGSA-N	308.361	1.259	50	20	DDGD	
CNCc1ccc(NC(=O)NNc2nc(C)cc(C)n2)cc1	841330088	QGPNWDHEERTATF-UHFFFAOYSA-N	300.366	1.961	50	20	DDGD	
CO[C@@H](C=NNC(=O)Nc1ccc(C(=O)O)cc1)[C@H]1CCOC1	841626115	OAUWGRHBRIQWCR-AAEUAGOBSA-N	321.333	1.544	50	20	DDGD	
O=C(NCCc1ccc(O)cc1)NNc1ccc(Cl)nn1	749347626	SWQOIHJFNMKSIP-UHFFFAOYSA-N	307.741	1.704	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1nnc(C(C)(C)C)s1	843970256	CRESBSMAILZRPC-SFYZADRCSA-N	312.395	1.022	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCCOc1cccc(F)c1	918073337	BWPWFNNOQZAOHM-UHFFFAOYSA-N	323.246	1.487	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)CC(F)(F)F)cc1	912895664	IVDLNLLTBJZABY-UHFFFAOYSA-N	306.240	1.174	50	20	DDGD	
CCn1c(SCC(=O)NN(C)C[C@H](C)O)nc2ccccc21	910181912	DJORNOVMHHFKDX-NSHDSACASA-N	322.434	1.492	50	20	DDGD	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NNc1nnc(C)c(O)n1	743295211	IBKLQGZJZSSIIA-JLLWLGSASA-N	323.397	1.703	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1ccc2c(c1)CC(=O)N2	748259978	NSPGQZQTGMMIAL-LLVKDONJSA-N	319.361	1.073	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1CCC(F)(F)CC1	842522259	WFTLUJWNBHDTNL-LLVKDONJSA-N	303.353	1.636	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1noc(-c2cccc(F)c2)n1	746248547	UWWVUQQJVSUVIX-UHFFFAOYSA-N	304.281	1.437	50	20	DDGD	
Cc1cccnc1C(F)(F)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843655892	ODCGJHHNGJLJFN-VHSXEESVSA-N	313.304	1.054	50	20	DDGD	
CCO[C@@]1(C(=O)NN=C2CCCN3CCCC[C@H]23)CCOC1	848412825	CXOSMOMMISHAHP-ZBFHGGJFSA-N	309.410	1.303	50	20	DDGD	
NCCOc1ccc(NC(=O)NNC(=O)C2CCCC2)cc1	841323229	YGILLVAZJCJFAL-UHFFFAOYSA-N	306.366	1.367	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](C)Cc2ccccn2)o1	848670312	LJBOWNCYZBGLGX-SNVBAGLBSA-N	302.334	1.558	50	20	DDGD	
Cc1[nH]c2c(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)cccc2c1C	843971008	AHMHIIGGNZGTFB-YPMHNXCESA-N	315.373	1.971	50	20	DDGD	
COC(=O)CCC(C)=NNC(=O)[C@H]1COc2ccccc2O1	756869848	ANTIHPSFRXZVNX-CYBMUJFWSA-N	306.318	1.272	50	20	DDGD	
C[C@](O)(CNC(=O)NNC(=O)C1CCCC1)c1ccc(F)cc1	753339349	JUCHYYXGHGHXAO-INIZCTEOSA-N	323.368	1.554	50	20	DDGD	
CC(C)C[C@H](C)OCCC(=O)NNc1ccnc(N(C)C)n1	755817102	AYYDFEYACLJBTP-LBPRGKRZSA-N	309.414	1.827	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(N(C)C(C)=O)cc1	756261494	JKXGNCGPCMKAOS-JTQLQIEISA-N	306.366	1.868	50	20	DDGD	
CCn1ncc(C)c1NC(=O)C(=O)NN(C)c1ccccc1	850422004	CBTSXXQLTYDTHZ-UHFFFAOYSA-N	301.350	1.318	50	20	DDGD	
C[C@]1(CN)CCN(C(=O)NC[C@@]2(C)C[C@H]2Br)C1	857105624	OJIUZFHUPAPBMZ-YUSALJHKSA-N	304.232	1.540	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl	753068656	NFGYOVLLFPWDII-UHFFFAOYSA-N	321.742	1.276	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)c1C	855627459	OSFCIIQVXICYQO-SCDSUCTJSA-N	304.346	1.792	50	20	DDGD	
Cc1ccc(NNC(=O)NCCN2CCSCC2)cc1F	853722516	NVVXGOXVTRHVRY-UHFFFAOYSA-N	312.414	1.809	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)N[C@@H]1CCC(=O)N(C)C1=O	922964693	RXHJQLTZKVLNQI-SNVBAGLBSA-N	324.768	1.422	50	20	DDGD	
CCNC(=O)N1CC[C@H](NC(=O)NNc2cc(F)ccc2C)C1	853861411	ZCMHQKIRFDUUFR-LBPRGKRZSA-N	323.372	1.564	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)c1c(C)noc1C	858324902	JUUXWDNLNWCSEF-SNVBAGLBSA-N	306.326	1.110	50	20	DDGD	
O=C(O)COc1ccccc1C=NNC(=O)OCC(F)(F)F	853431494	CAMBEWKBLFIECT-UHFFFAOYSA-N	320.223	1.772	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=Cc1ccnn1CC	753689124	AXJFLGHWIRQUBO-UHFFFAOYSA-N	324.388	1.965	50	20	DDGD	
CCn1ccnc1C=NNC(=O)CNc1cccc(OC)c1	755584610	MPZVDVYRLVHOBM-UHFFFAOYSA-N	301.350	1.474	50	20	DDGD	
CCN(C)C(=O)[C@@H](C)NC(=O)NNc1cc(F)cc(Cl)c1	854017309	IMQDOGZIBZFZIZ-MRVPVSSYSA-N	316.764	1.972	50	20	DDGD	
N#C/C(=C/c1cn(CC(=O)O)nn1)C(=O)c1ccc(F)cc1	759075157	GMTXOKLANCZMAZ-YHYXMXQVSA-N	300.249	1.292	50	20	DDGD	
C[C@@H]1CCN(S(=O)(=O)NC[C@@]2(C)C[C@H]2Br)C1	856754785	NGVGYBYVJKPQHU-OPRDCNLKSA-N	311.245	1.336	50	20	DDGD	
C=CC(=O)N(C)CC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	858139290	IMKHPJCECDCXCD-UHFFFAOYSA-N	317.389	1.390	50	20	DDGD	
C[C@@](O)(CC(=O)NNC(=O)CC(F)(F)F)c1ccccc1	855000462	INRDHHLUYKPSKQ-GFCCVEGCSA-N	304.268	1.384	50	20	DDGD	
CNC(=S)N(C)NC(=O)C(C)(C)Cc1nc2ccccc2[nH]1	854921271	NYCJHSPXGMRHRF-UHFFFAOYSA-N	319.434	1.599	50	20	DDGD	
CN(c1ccccc1)[C@H]1CCN(C(=O)NNC(=O)C(C)(C)C)C1	852083393	FLOXIBZLFRIFDZ-AWEZNQCLSA-N	318.421	1.984	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)OCC(F)(F)F	856025170	NTMUVQJWBNBRMM-ZETCQYMHSA-N	324.230	1.913	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CCC[C@H](CC#N)C1	851917241	XIOLRKUVIYPPNS-CYBMUJFWSA-N	300.362	1.975	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NNc2cc(Cl)nc(N)n2)C1	857863215	SNTXOORSYDNQQW-HTRCEHHLSA-N	321.772	1.245	50	20	DDGD	
COc1cc(C)c(C=NNC(=O)Cc2cc(C)[nH]n2)cc1OC	751521501	PXFXWOIOZQARHK-UHFFFAOYSA-N	316.361	1.737	50	20	DDGD	
CC[C@@H](C)c1ccc(C(=O)NNC(=O)N2CCOCC2)cc1	755260214	GURVELCLGSCWMM-GFCCVEGCSA-N	305.378	1.887	50	20	DDGD	
COCCCn1cc(C(=O)NNc2ccc(OC)cc2)cn1	863866167	AGLUPZLLZBSROZ-UHFFFAOYSA-N	304.350	1.685	50	20	DDGD	
N#CSCCCNC(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1	861551311	MLJNTMMVABIYBH-CQSZACIVSA-N	317.414	1.869	50	20	DDGD	
Cc1ccc([C@H](C)[C@H](O)C(=O)NNC(=O)NCC2CC2)cc1	764881324	PBHWADMNROQLPC-FZMZJTMJSA-N	305.378	1.200	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC[C@]12CCOC2=O	867129663	CQXBHPULVMTFRT-GFCCVEGCSA-N	309.815	1.363	50	20	DDGD	
CN(C)CCOc1cccc(NC(=O)NNC(=O)C2CC2)c1	764622081	ZSUDGNPEXRZQRB-UHFFFAOYSA-N	306.366	1.190	50	20	DDGD	
O=C1C[C@H](NS(=O)(=O)c2ccc(CCCCl)cc2)CN1	763206628	QJPYOKWBSBFYTD-NSHDSACASA-N	316.810	1.025	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H](CCO)c1ccco1	867118338	ZHXZMKXPYNCHFU-JTQLQIEISA-N	309.815	1.888	50	20	DDGD	
C[C@H]1Cc2cc(NC(=O)NNC(=O)[C@@H]3CCCCO3)ccc2O1	933145977	MGNUISNGBSESER-HZMBPMFUSA-N	319.361	1.732	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1conc1C(C)C	861576579	IXJJSNZRRWPLTG-UHFFFAOYSA-N	313.354	1.348	50	20	DDGD	
C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(C/C=C/C#N)C1=O	763304923	QTCKKDUDQPQPAX-HSWBROFVSA-N	300.274	1.442	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cccc(-n2cccn2)c1	760260996	ULIDRJGADQJFQI-CYBMUJFWSA-N	316.361	1.374	50	20	DDGD	
Cc1csc(CCC(=O)NNC(=S)NCC2CCC2)n1	768213466	ZOWOGNWRQZZDGO-UHFFFAOYSA-N	312.464	1.680	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC[C@@H](n2cccn2)C1	867289440	CLTVOWXMNJALJI-LLVKDONJSA-N	305.831	1.725	50	20	DDGD	
Cc1cc(Br)ccc1C=NNC(=O)[C@H]1CCC(=O)N1	863147349	DEKKCZPWTFPMHO-LLVKDONJSA-N	324.178	1.486	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)[C@H]1CCCCO1)c1ccc(F)cc1	861854332	WBADGWGZYPYXFJ-OLZOCXBDSA-N	310.325	1.230	50	20	DDGD	
O=C1NCC[C@@]1(C(=O)NNc1nccnc1Cl)C1CCCC1	863875674	BCYYOVSNJXQSKQ-CQSZACIVSA-N	323.784	1.270	50	20	DDGD	
C[C@H](O)C[C@@H]1COCCN1S(=O)(=O)CC(C)(C)CCl	867115285	PBVJLKYWFOAYAT-WDEREUQCSA-N	313.847	1.053	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cnn(CC2CC2)c1)C1CC1	869218566	NZCBAHJVOWKLGE-SECBINFHSA-N	307.423	1.201	50	20	DDGD	
CCC(=O)N[C@H](CCSC)C(=O)NN[C@H](C)C(F)(F)F	862310226	SBTJTELRVQKVRX-HTQZYQBOSA-N	315.361	1.206	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H](C)CN2C[C@H](C)O[C@@H](C)C2)cn1	764901806	YWLYWKCHJMCTIR-SNPRPXQTSA-N	318.421	1.585	50	20	DDGD	
CC1(C(=O)NNC(=O)c2ccc3c(c2)OCO3)CC(F)(F)C1	873752011	XZBUVBLSOXXRLJ-UHFFFAOYSA-N	312.272	1.612	50	20	DDGD	
Cc1nc(C(=O)NNC(=S)Nc2ccccn2)sc1C	772965160	CFEDKTAWBHFRGW-UHFFFAOYSA-N	307.404	1.786	50	20	DDGD	
CCc1noc(C2CCC(=NNC(=O)C(=O)NC(C)C)CC2)n1	778539810	FFYAXZXJHDTKNT-UHFFFAOYSA-N	321.381	1.286	50	20	DDGD	
COc1cccc([C@@H](CNC(=O)NNc2ncccn2)OC)c1	875768880	VARXDUHLPQHWPO-CYBMUJFWSA-N	317.349	1.499	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2ccccc2C)cn1	871595252	QJXCUHPVFBHSIJ-UHFFFAOYSA-N	313.313	1.251	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1C[C@@H]1c1sccc1C	772216253	XHSHPGUWRGFQQM-DCAQKATOSA-N	324.402	1.649	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1c(C)cccc1OC	773533339	KPWGFNNYHRPYFE-VIFPVBQESA-N	307.350	1.136	50	20	DDGD	
COc1cccnc1NC(=O)NNC(=O)c1ccc(C)cc1O	771798598	AWSKEHWXROBGCS-UHFFFAOYSA-N	316.317	1.571	50	20	DDGD	
Cc1cc2c(cc1C)[C@H](C(=O)NNC(=O)NCC1CC1)CO2	770223841	SWRFSKOTHIUKEO-CYBMUJFWSA-N	303.362	1.520	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NNc1nc2ccccc2[nH]1	870212136	HWZVYWZXBYCPOA-CYBMUJFWSA-N	301.350	1.407	50	20	DDGD	
Cc1nnc2n1C[C@@H](C(=O)NNc1nccnc1C(C)C)CC2	772848881	RBFMEPWRVMYWRM-NSHDSACASA-N	315.381	1.206	50	20	DDGD	
CCC[C@H](C(=O)NNC(=O)C1CCOCC1)c1ccccn1	883069647	QEEUMRSUTJYHKZ-ZDUSSCGKSA-N	305.378	1.539	50	20	DDGD	
CC(CCn1cccn1)=NNC(=O)c1cccc([N+](=O)[O-])c1	776758139	HJAVHZAMSOSGAL-UHFFFAOYSA-N	301.306	1.987	50	20	DDGD	
C[C@@H](CCCc1ccccc1)C(=O)NNC(=O)c1cccnn1	882057009	KMEKERXSEZLMHZ-ZDUSSCGKSA-N	312.373	1.897	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1n[nH]cc1Br	1123737577	FBPRFWNWCQBTJK-UHFFFAOYSA-N	317.534	1.373	50	20	DDGD	
COC(=O)[C@@H](CNS(=O)(=O)CBr)CC(C)C	782456293	YIPYCFJSVFLYDW-MRVPVSSYSA-N	316.217	1.094	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)CCCCl)CC2(CCOCC2)O1	882139779	ACUVPPLCKZMMTI-NSHDSACASA-N	311.831	1.215	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CC[C@H](n2cncn2)C1	787543836	XACLIFBKZASKOA-LVOZBFFPSA-N	309.329	1.364	50	20	DDGD	
O=C(CN1CCC(F)CC1)NNC(=O)c1ccccc1Cl	880242175	XDSFFJBDYQEILP-UHFFFAOYSA-N	313.760	1.535	50	20	DDGD	
C[C@@H]([C@H](C)C(=O)NNc1ccc(F)cc1Cl)S(C)(=O)=O	885137049	MODDRMGAGBSSCY-YUMQZZPRSA-N	322.789	1.991	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(C)CC(=O)NCCC1=CCCCC1	887049408	WMGRWZIYHHIIIC-SQFISAMPSA-N	319.405	1.895	50	20	DDGD	
CCOCCC=NNC(=O)C1CCN(c2ncccn2)CC1	788427550	OSXXUJGZXXRHBI-UHFFFAOYSA-N	305.382	1.222	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)c1cccc(O)n1	785751936	SYGUOSSPRCUUIG-UHFFFAOYSA-N	321.336	1.944	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCN(C)C(=O)OC(C)(C)C	887149328	RNRWKZPHNUEOBX-UHFFFAOYSA-N	311.382	1.194	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccc([N+](=O)[O-])o2)c1	781034938	UCZHMJCFOOMWBD-UHFFFAOYSA-N	305.246	1.731	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1coc2c1C(=O)CCC2	899997186	KHYZMHDCTWFDJO-UHFFFAOYSA-N	309.391	1.706	50	20	DDGD	
CC(=NNC(=O)Cc1cn2ccccc2n1)c1ccnc(F)c1	794916335	ZUXNSUFPBGIUBQ-UHFFFAOYSA-N	311.320	1.951	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CCOCC(F)(F)C(F)F	790317535	YUMUYHFDXVHJDS-UHFFFAOYSA-N	302.268	1.487	50	20	DDGD	
COCC[C@@H]1CCCC1=NNC(=O)CNC(=O)c1ccco1	799877735	HTSHJDXQQLJCHU-NSHDSACASA-N	307.350	1.318	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(OC)cc(-n2cccn2)c1	791965189	VUSGLPIVEBXTPW-UHFFFAOYSA-N	303.322	1.444	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NN=Cc2cn(C)cn2)n[nH]1	794525438	ZXTYIOAVTKZLDN-UHFFFAOYSA-N	324.344	1.583	50	20	DDGD	
CSSCCNC(=O)c1cccc(OCC(N)=O)c1	791154477	FEOUGDOLNOKECM-UHFFFAOYSA-N	300.405	1.292	50	20	DDGD	
CC(=NNC(=O)c1cncn1-c1ccccc1)c1nccn1C	1319587668	GEECXHJSNXLWJG-UHFFFAOYSA-N	308.345	1.760	50	20	DDGD	
CCN1CCC[C@H](CNC(=O)NNC(=O)c2cc(C)cs2)C1	1329194369	XLZUMRKNQHLPJS-GFCCVEGCSA-N	324.450	1.732	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)[nH]1	1322745928	GEMBLYGBCZYICO-UHFFFAOYSA-N	316.317	1.827	50	20	DDGD	
CC(C)(C)OCCCC(=O)NNc1nncc(N)c1Cl	1322073423	KJWDISPVVBTYQU-UHFFFAOYSA-N	301.778	1.751	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCc2cc(C3CC3)nn2C)cn1	1333558240	RFVGNALQZMILPZ-WLRTZDKTSA-N	310.361	1.254	50	20	DDGD	
COc1c(C)cnc(CNC(=O)NN=c2cc[nH]c(C)c2)c1C	1332821354	FPQVPCLHHRABQZ-UHFFFAOYSA-N	315.377	1.659	50	20	DDGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)c1nnnn1C	1337494654	AMEQRKIHHFNTBZ-MKVDPYIPSA-N	300.297	1.134	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1ccc(Cl)nn1	1344500308	MIHNNPHZNNBZFD-UHFFFAOYSA-N	317.696	1.332	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H]1CSc2ccccc21	1345736323	ACEOYAFFTFUEEB-UMNHJUIQSA-N	321.402	1.589	50	20	DDGD	
Cc1ccc2c(c1)S[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)C2	1349432117	DAHGMAIMJWZENY-SUHUHFCYSA-N	320.414	1.584	50	20	DDGD	
C[C@@H]1[C@@H](C(=O)NNC(=O)c2cncn2-c2ccccc2)C1(F)F	1346241971	QVUJRNHIXISHLV-SKDRFNHKSA-N	320.299	1.535	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H]1F)c1ccc(COc2ccccc2)o1	1518771664	AQXCIDHYTOZLDC-STQMWFEESA-N	318.304	1.978	50	20	DDGD	
Cc1cc(=NC(=O)NNc2cccc(C(=O)O)c2)cc(C)[nH]1	1607690744	QBAWZXSEYNDZKM-UHFFFAOYSA-N	300.318	1.967	50	20	DDGD	
O=C(O)C[C@@H]1CC[C@H](NC(=O)NNc2ncc(F)cc2F)C1	1608772943	QNXQSCSPBLEYNA-APPZFPTMSA-N	314.292	1.629	50	20	DDGD	
O=C(O)[C@H]1CCC[C@@H](C(=O)NNC(=S)NCC2CCC2)C1	1601804130	WJHFPTQFRBFANM-MNOVXSKESA-N	313.423	1.173	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccsc2CC(=O)O)n1	1600512270	HTQNKBAJNMVWHM-UHFFFAOYSA-N	319.342	1.153	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2ccc(C(=O)O)[nH]2)c1	1600542126	XBKIIOVJMAZHSJ-UHFFFAOYSA-N	318.358	1.653	50	20	DDGD	
O=C(/C=C\c1cccc(O)c1)NNc1ccc(-c2nn[nH]n2)cc1	1606481479	BXHQHBLHGBKADL-WTKPLQERSA-N	322.328	1.729	50	20	DDGD	
COc1cc(NC(=O)NNc2cccc(C(=O)O)c2C)[nH]n1	1607178181	ICWZWTVBGLETHZ-UHFFFAOYSA-N	305.294	1.574	50	20	DDGD	
COCC[C@H](NC(=O)/C(C#N)=C/c1ccc(F)cc1)C(=O)O	1610254109	DZTOTQNGWKJFHG-YKWSONSWSA-N	306.293	1.339	50	20	DDGD	
COC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)C)C2	1802272507	BRYHFRGCRLVXCJ-RNJOBUHISA-N	316.829	1.534	50	20	DDGD	
O=C(NN=C1CCc2ccsc21)[C@@H]1CN2CCC[C@H]2CO1	1549321949	WLDGTPZMIYIVHV-AAEUAGOBSA-N	305.403	1.378	50	20	DDGD	
C[C@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Cl)C2	1802288595	AINRVUNFJYJVJV-CIQUZCHMSA-N	308.806	1.477	50	20	DDGD	
CC[C@](C)(C=NNC(=O)[C@@H]1CCCO[C@@H]1c1nccn1C)OC	1549315425	LJABJLCYNLXLRT-DVOMOZLQSA-N	322.409	1.805	50	20	DDGD	
O=C(O)c1coc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])c1	1610866272	CRZWYYCUCWGMDQ-UHFFFAOYSA-N	309.209	1.782	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H](C(C)C)[C@H](C)N)c1	1579581203	JVWLPAZQMGYARU-XJKSGUPXSA-N	321.421	1.449	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cccc2c1OCCNC2	1580733567	YBQLXJMTQUBWQA-UHFFFAOYSA-N	303.362	1.120	50	20	DDGD	
COCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](F)Cl	1847475296	PRZGRNDAYAFSSE-NHCYSSNCSA-N	306.765	1.149	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)c1ccccn1	1588999550	LRNCGGUGKDYPTM-JTQLQIEISA-N	309.333	1.509	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1ccncn1)C2	1845164901	JGVKNQHXTGFEOK-NSHDSACASA-N	322.796	1.311	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)O)s1)c1ccc2c(c1)OCO2	1594779805	WYJYZUGCJDBJCO-UHFFFAOYSA-N	318.310	1.939	50	20	DDGD	
O=C(NNc1cccnn1)c1cc(-c2nn[nH]n2)ccc1Cl	1593167318	XCKGULIFYVWELX-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
O=C(O)CC1(C(=O)NNC(=O)NCc2ccccc2)CCC1	1594976579	XVOUXGAWDOHPQL-UHFFFAOYSA-N	305.334	1.162	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc(C(=O)O)c1OC	1594866038	NFPWSLSYXQNHFG-MRVPVSSYSA-N	309.322	1.592	50	20	DDGD	
CCCC[C@H](NC(=O)NNC(=O)C(=O)O)c1ccc(OC)cc1	1595635787	LHPDMPBJCXEPJK-LBPRGKRZSA-N	323.349	1.342	50	20	DDGD	
CCc1oc(C(=O)O)cc1S(=O)(=O)NCC(Cl)Cl	1597783993	AXYYNFMODSGYFB-UHFFFAOYSA-N	316.162	1.622	50	20	DDGD	
CCCC[C@H](NNC(=O)[C@@H](C)Oc1ccc(F)cc1)C(=O)O	1595640180	ADRQAPRNTNNNRX-MFKMUULPSA-N	312.341	1.857	50	20	DDGD	
CO[C@@H](C(=O)O)C(=O)NNc1ccc(OCC(F)(F)F)cc1	1593911199	HPSULQKCTGJKJB-SECBINFHSA-N	322.239	1.170	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(C(=O)O)o2)c([N+](=O)[O-])c1	1599597964	KAJAIWMVMZINBF-UHFFFAOYSA-N	321.245	1.652	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=CCCCC(=O)O)c1	1594174391	KKOOGMWYRXDRCN-UHFFFAOYSA-N	312.347	1.061	50	20	DDGD	
CC(CC(C)(C)CC(=O)O)=NNC(=O)C(=O)Nc1ccccn1	1592444298	NFGQRFIOSZTBFO-UHFFFAOYSA-N	320.349	1.403	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1cccn2c(C(=O)O)cnc12	1776946217	XGQNDQPGFHNTEU-POHAHGRESA-N	305.315	1.332	50	20	DDGD	
C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CO[Si](C)(C)C	1798630617	MFVPASRRWWGNFS-CLLJXQQHSA-N	308.454	1.109	50	20	DDGD	
CC(C)OCc1cccc(NC(=O)NNC(=O)CN(C)C)c1	158456915	FNHQVONTAVEQNX-UHFFFAOYSA-N	308.382	1.326	50	20	DDGD	
CN(C)c1cccc(NC(=O)NNC(=O)c2ccncc2)n1	152802889	QFXQKVPGXWVMON-UHFFFAOYSA-N	300.322	1.009	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)Cn1ccc2ccccc21	153616335	WREDKGMQNIUJMP-UHFFFAOYSA-N	312.373	1.775	50	20	DDGD	
CC[C@@H]1CCCCN1CCNC(=O)NNC(=O)c1ccc[nH]1	154085841	LTCJHZDQDMZVMZ-GFCCVEGCSA-N	307.398	1.223	50	20	DDGD	
CCn1c(C(=O)NNc2ccc(C(N)=O)nn2)cc2ccccc21	154324406	UKUGMLRIOKJCLV-UHFFFAOYSA-N	324.344	1.307	50	20	DDGD	
Cn1cnc(-c2cccc(NC(=O)NNC(=O)CC3CC3)c2)n1	274613303	PCHZCNLZUJRYCT-UHFFFAOYSA-N	314.349	1.435	50	20	DDGD	
COCCOc1ccc(C(=O)NN(C)C(N)=O)c(Cl)c1	274730123	UFFYLUDYVXMVNX-UHFFFAOYSA-N	301.730	1.021	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H](C)OC)cc1	54921877	RJJQSNFHMBYXIT-GHMZBOCLSA-N	310.350	1.035	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cc(Cl)c2c(c1)OCCO2	24608167	BZTYZMSWKZYGEM-UHFFFAOYSA-N	312.753	1.918	50	20	DDGD	
CC(=O)N1CCc2cc(C(=O)NNC(=O)OC(C)(C)C)ccc21	57915034	ZFBNYXZAETUBEN-UHFFFAOYSA-N	319.361	1.765	50	20	DDGD	
CCCCOCC(=O)NNC(=O)c1ccc(Cl)cc1OC	118307889	GZHHNUPSBIHMNU-UHFFFAOYSA-N	314.769	1.926	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H](C)CN2CCCCC2)nn1	106334081	YZTOOJFHNQLVIC-LBPRGKRZSA-N	306.414	1.533	50	20	DDGD	
CN(C)Cc1ccc(C(=O)NNC(=O)c2cccc(C#N)c2)cc1	103401525	CGQTTYTYJAWENS-UHFFFAOYSA-N	322.368	1.695	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)N1CCOCC1)c1c(F)cccc1F	179400428	YWBVATRVWXFWOX-SECBINFHSA-N	313.304	1.141	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1C(=O)NNc1cc(C)ncn1	172281537	DAKLBOMXUJRZID-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C2(c3ccc(Cl)cc3)CC2)cn1	117678899	RFXOQSZDIYXHQS-UHFFFAOYSA-N	318.764	1.566	50	20	DDGD	
C[C@H](c1cc(F)ccc1F)N(C)CC(=O)NNC(=O)C1CC1	112977248	RHOZVRWNYFUKSV-SECBINFHSA-N	311.332	1.515	50	20	DDGD	
O=C(NCCOc1ncccc1Cl)NNC(=O)c1ccc[nH]1	119658504	UDEDWAAFOJLBKC-UHFFFAOYSA-N	323.740	1.086	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H](C)Oc2ccccc2)nn1	113976294	NHHPXNHDYBZFNL-LBPRGKRZSA-N	301.350	1.879	50	20	DDGD	
CCCCNC(=O)NNC(=O)COc1ccc(OCC)cc1	64426646	YWNRNDPFZFYTEO-UHFFFAOYSA-N	309.366	1.595	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cc3cc(F)ccc3o2)cn1	117682893	LVUIDVXAJZUTKA-UHFFFAOYSA-N	302.265	1.380	50	20	DDGD	
CCC(CC)[C@@H](C(=O)NNc1ncccn1)N1CCOCC1	173047566	LGRHMLWMISPDMI-ZDUSSCGKSA-N	307.398	1.057	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1nnn(-c2ccccc2)c1C	64425061	FVEIDPYIOWFFIU-UHFFFAOYSA-N	316.365	1.320	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(F)c(F)cc1Cl	66276792	KAXTXOZLNDMNAF-UHFFFAOYSA-N	305.737	1.913	50	20	DDGD	
COC[C@H](C)NC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	125652391	JJEYHZRMINHNSL-GVMDUPDNSA-N	323.437	1.958	50	20	DDGD	
Cc1ccc(CCC(=O)NCC(=O)NNc2ccccn2)cc1	181191275	GEMVJPYWTLUEIE-UHFFFAOYSA-N	312.373	1.582	50	20	DDGD	
CC[C@@H](C)CN(C)C(=O)NNC(=O)COCc1ccccc1	127464959	CSADDYKFNFBOQF-CYBMUJFWSA-N	307.394	1.922	50	20	DDGD	
NC(=O)c1cccc(NC(=O)NNc2cccc([N+](=O)[O-])c2)c1	127071253	AYBPUGKGVUIFQQ-UHFFFAOYSA-N	315.289	1.842	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@H](C)SC)cc1OC	33224615	DLHKRGKFHDSRFY-VIFPVBQESA-N	312.391	1.606	50	20	DDGD	
CCO[C@H]1C[C@](N)(C(=O)NNc2nc(C)cc(C)n2)C1(C)C	187182889	GUHJYGIOZDBBBF-NHYWBVRUSA-N	307.398	1.069	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(-n3ccnn3)cc2)n1	180701867	NOIRAXSHXRCHLH-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C1=CCCCC1	124536514	ZVCHOYXTFVRTKC-AWEZNQCLSA-N	302.330	1.474	50	20	DDGD	
O=C(NCCC[C@H]1CCCCO1)NNc1nc2ccccn2n1	189975590	PHYCLQIPLXMFCG-GFCCVEGCSA-N	318.381	1.705	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2ccnc(F)c2)c2ccc(F)cc2N1	182491390	OWVLAQRNJHVFMP-LLVKDONJSA-N	318.283	1.929	50	20	DDGD	
Cc1nn(-c2ccccc2)c(C)c1CC(=O)NNC(=O)C1CC1	72752509	FDZDANPDYYRNSE-UHFFFAOYSA-N	312.373	1.589	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1cccc2nn[nH]c12	187834225	WARPBWQOQJZYIR-UHFFFAOYSA-N	313.292	1.101	50	20	DDGD	
COc1nccnc1NNC(=O)Cc1c[nH]c2cccc(C)c12	184368491	RRVNXOSALXDFQG-UHFFFAOYSA-N	311.345	1.961	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccc(Cl)cc1F	48832018	VVNXWERZEXFFNU-UHFFFAOYSA-N	313.638	1.985	50	20	DDGD	
COc1ccncc1NC(=O)C(=O)NNc1cc(C)ccc1C	131970305	ZHLAJKNWNNSHDH-UHFFFAOYSA-N	314.345	1.789	50	20	DDGD	
Cc1n[nH]nc1C(=O)NNC(=O)Cc1ccc2ccccc2c1	193060408	SERZBIXZHBSZFY-UHFFFAOYSA-N	309.329	1.270	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CNc2ccccc2)c(O)c1	190452633	AVEMCDNWOWMCAV-UHFFFAOYSA-N	313.357	1.828	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc(Cl)cc1F	48654836	BRHOLMUUIZLQRL-SSDOTTSWSA-N	308.762	1.835	50	20	DDGD	
CCC1CC(=O)C(=CNNC(=O)Cc2cccs2)C(=O)C1	194963780	MJDRTEOYQDYZHH-UHFFFAOYSA-N	306.387	1.754	50	20	DDGD	
C[C@H]1CC[C@H](CC(=O)NNC(=O)Cc2cn3ccccc3n2)C1	133167833	FRISQCLYKVLIBH-STQMWFEESA-N	314.389	1.851	50	20	DDGD	
CN(C)C(=O)NNC(=O)CSc1nc2ccccc2s1	194936752	OZSRXLLXKJFLCH-UHFFFAOYSA-N	310.404	1.691	50	20	DDGD	
CSCCNC(=S)NNC(=O)/C=C/c1ccc(C)cc1	94120711	SCGJBONPSBDHEU-BQYQJAHWSA-N	309.460	1.867	50	20	DDGD	
Cc1nonc1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	265027905	FJDYBXWBQMFPFU-UHFFFAOYSA-N	304.350	1.355	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C1CCC1)c1ccc([S@@](C)=O)cc1	270453699	PPCASWHODGTHST-ZQJOYCHOSA-N	323.418	1.616	50	20	DDGD	
C[C@H](CO)CCCNC(=O)NNC(=O)c1c[nH]c2ccccc12	270462597	GKUKJHMGIRZMHX-NSHDSACASA-N	318.377	1.521	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1nnc(C(C)(C)C)s1	274150096	YYMSAANUUXUXFQ-UHFFFAOYSA-N	323.382	1.783	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2CCc3nccn3C2)cc1	363935584	AUFHLBRRKWVHOM-CQSZACIVSA-N	312.373	1.469	50	20	DDGD	
CC(=O)[C@H]1CC(C(=O)N2CC=C(C#N)CC2)=NN1c1ccccc1	271078731	FRKSVXWPZYSIOU-QGZVFWFLSA-N	322.368	1.893	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc([S@](C)=O)c(F)c1	274435582	RBOCREXGSBRRLI-NRFANRHFSA-N	316.358	1.261	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCOC[C@@H]1[C@@H]1CCCCC1=O	273684705	GJRVMJJNLSQDNZ-WXLZEUHASA-N	306.362	1.417	50	20	DDGD	
COC(=O)c1ccc(OC[C@@H](O)CN2CC=C(C#N)CC2)cc1	272353713	AOQRKBDBEFYDRR-HNNXBMFYSA-N	316.357	1.369	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](NC(=O)NNC(=O)Cc2cccnc2)CCO1	271535734	OVIKCOXADPWYQU-KBPBESRZSA-N	320.393	1.158	50	20	DDGD	
COC(=O)N(C)NC(=O)Cc1csc(-c2ccc(C)o2)n1	286209245	FAIFFNFWIDEFIB-UHFFFAOYSA-N	309.347	1.983	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@H](C)C(F)(F)F)c1	288789735	FFNCTDOTOIPARS-SECBINFHSA-N	319.283	1.655	50	20	DDGD	
O=C(NNC(=O)N1CCC2(CCOCC2)CC1)c1ccccc1	284013022	NBQZCDVTWVHUAQ-UHFFFAOYSA-N	317.389	1.934	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cnn(CCF)c2)cc1	286965968	DUSPISXDXDMSQZ-UHFFFAOYSA-N	319.340	1.034	50	20	DDGD	
CSCCCCC(=O)NNc1ccc(-n2ccnc2)nn1	286740095	UFNKOPVVRKEKOK-UHFFFAOYSA-N	306.395	1.639	50	20	DDGD	
CO[C@H](C)CN(C)C(=O)NNC(=O)c1cc2ccccc2o1	286641417	KFXRXWDNPFXNAY-SNVBAGLBSA-N	305.334	1.754	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2cccc([N+](=O)[O-])c2)CCC1	281206165	NLHILEXCYAJBPI-UHFFFAOYSA-N	313.335	1.005	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1cc2n(n1)CCCC2	287493326	XSSDOBIUZHRGJX-UHFFFAOYSA-N	300.322	1.081	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	285129494	WCULRKSQAJMXIV-MRXNPFEDSA-N	311.345	1.778	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)COc1cc(C)ccc1C)OC	291427538	JIIXYWUGFNHTAG-CYBMUJFWSA-N	323.393	1.438	50	20	DDGD	
Cc1cccc2cc(C(=O)NNC(=O)N3CCOCC3)sc12	808386595	BVMCQKLEQBNNNN-UHFFFAOYSA-N	319.386	1.896	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(C)(C)c1ccc2c(c1)OCO2	292108749	APLUJFRTDPHNKW-UHFFFAOYSA-N	306.362	1.886	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@H]1CC(c2ccccc2)=NO1	804765697	UHFPJTNOTQDNMU-GFCCVEGCSA-N	300.293	1.857	50	20	DDGD	
CC/C=C(\C)C(=O)NNc1ccccc1S(=O)(=O)N(C)C	294626335	LBTYYAFFXMRLIY-DHZHZOJOSA-N	311.407	1.736	50	20	DDGD	
Cc1cc([C@@H](C)NC(=O)NNC(=O)[C@@H]2CCCO2)ccc1F	293189574	DJDBBXZNURKGOE-MFKMUULPSA-N	309.341	1.705	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2ccc(Cl)nn2)n1	294914355	KISHBEOAEBRHRO-UHFFFAOYSA-N	321.772	1.523	50	20	DDGD	
O=C(CCCOCCc1ccccc1)NNC(=O)CC1CC1	294034215	DJGMVYPVYOYNDD-UHFFFAOYSA-N	304.390	1.973	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)CCc2ccccc2O)c(C)o1	293187190	YSVUWPRPCJRZEX-UHFFFAOYSA-N	303.318	1.391	50	20	DDGD	
CN1CCC[C@@H]1CNC(=O)NNC(=O)c1cccc(Cl)c1	299265316	XNMVDYZTRHGHIO-GFCCVEGCSA-N	310.785	1.378	50	20	DDGD	
COCc1ccccc1CNC(=O)NNc1nccc(OC)n1	298651351	QMWOYOCKXCAEEU-UHFFFAOYSA-N	317.349	1.458	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cnc(C(C)(C)C)nc2)n1	807451070	JIWXTTBMSROVLY-UHFFFAOYSA-N	313.361	1.552	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)[C@@H]1CCCC12OCCO2	807425850	DCKBSXXDHZAUSX-NSHDSACASA-N	314.345	1.616	50	20	DDGD	
C[C@](O)(C(=O)NNc1ccnc(Br)c1)C1CC1	804564007	ICXMXVPTVGMUPG-LLVKDONJSA-N	300.156	1.448	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CC2CC2)c(OC(F)F)c1	819131637	JTFQTNZUHDZOFO-UHFFFAOYSA-N	314.288	1.858	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)c1cccc([N+](=O)[O-])c1	811628742	KJEVTZSWDYMVMH-NSHDSACASA-N	304.306	1.369	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)Sc1nc2c([nH]1)CCC2	813582345	JWUYIWHGAOGMFF-SECBINFHSA-N	310.423	1.573	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2cnccn2)c2c(O)ccc(F)c21	818285499	DSXCYCGYEAKBDY-MRVPVSSYSA-N	300.293	1.963	50	20	DDGD	
CN(C)CCn1ccc(NC(=O)NNc2cccc(Cl)n2)n1	814648251	NREXRUJAAZBJIJ-UHFFFAOYSA-N	323.788	1.642	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C1(F)CCCCC1	811398202	DLJCQQUCDSZUNR-UHFFFAOYSA-N	304.362	1.595	50	20	DDGD	
CCN(CCO)NC(=O)CCCSc1ccc(OC)cc1	823873871	IIXPYJAGPQLQKS-UHFFFAOYSA-N	312.435	1.913	50	20	DDGD	
CN1CCCC[C@H](C(=O)NNc2cccc3cnccc23)C1=O	821164132	WINWLCOWWUAVLK-CQSZACIVSA-N	312.373	1.936	50	20	DDGD	
C=CCOCC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	729299542	JQDYIGQEHBZKMC-ZDUSSCGKSA-N	306.362	1.421	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccncc1Cl	826449141	DCZLBTHBOQUTCA-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
Cn1nc(C(=O)NNC(=S)NCC2CCC2)cc1C(F)F	824436648	DQESTIMBHDZARU-UHFFFAOYSA-N	317.365	1.267	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@H](c2cccnc2)C1	827260109	OGHBHOWCLAYZOO-UBHSHLNASA-N	318.377	1.037	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C2(CN(C)C)CC2)cc1	822764288	BDYUDYJRTNDEPZ-UHFFFAOYSA-N	306.366	1.190	50	20	DDGD	
COc1ccccc1[C@@H](C)CC(=O)NNc1nnc(C)c(O)n1	728600612	MZMROIVZZMIFKD-VIFPVBQESA-N	317.349	1.531	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)c1ccccc1N1CCCCC1	584913634	HNXQKOWWWWNSKO-UHFFFAOYSA-N	324.189	1.609	50	20	DDGD	
CCC1CCC(N(C(=O)c2cccc(B(O)O)c2)C2CC2)CC1	584933988	MXRBXKOZMVAZBU-UHFFFAOYSA-N	315.222	1.940	50	20	DDGD	
CCN(CCO)NC(=O)c1c(C)nn(-c2ccccc2)c1Cl	823837821	GRHPMNSHOLCIET-UHFFFAOYSA-N	322.796	1.793	50	20	DDGD	
CN(C)CC(=O)NN=CC1(CNC(=O)OC(C)(C)C)CCC1	495717592	AVRNPSQFUKGPFP-UHFFFAOYSA-N	312.414	1.345	50	20	DDGD	
CCN(CC)[C@@H](CNCc1ccc(B(O)O)o1)c1ccsc1	585018383	VOLJRCOARHIEAI-AWEZNQCLSA-N	322.239	1.194	50	20	DDGD	
COc1cc(Br)ccc1C(=O)NN(C)[C@@H](C)CO	823965693	SIDNGJNEDXHKOQ-QMMMGPOBSA-N	317.183	1.415	50	20	DDGD	
CN1CCC[C@@H](NCc2ccc(B(O)O)o2)c2ccccc21	585044623	OINHQLBRJBAEIP-CQSZACIVSA-N	300.167	1.020	50	20	DDGD	
O=C(c1cc(F)cc(C(F)(F)F)c1)N1CC[C@@H](B(O)O)C1	585068710	GCSIPFKXKZVZHQ-SECBINFHSA-N	305.036	1.533	50	20	DDGD	
C=C(CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1ccccc1	827072837	WXEAAUHCYGCFCV-JSGCOSHPSA-N	303.362	1.455	50	20	DDGD	
Cc1cccc([C@H]2CCCN2C(=O)c2ccc(B(O)O)cc2)c1C	584950165	KNSPSLARUZBFCE-GOSISDBHSA-N	323.201	1.961	50	20	DDGD	
C[C@H]1CN(C)c2ccccc2N(C(=O)c2cccc(B(O)O)c2)C1	584953203	SCBDEGQTIJFXFH-ZDUSSCGKSA-N	324.189	1.099	50	20	DDGD	
C[C@]1(C(=O)N2CCS[C@@H]3COCC[C@H]32)C[C@@H]1Br	907053029	ADZSDJYPYNVHGH-SVDPJWKOSA-N	320.252	1.893	50	20	DDGD	
CC[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)c1nc(C)cs1	584942386	UNUVIPPZHCZWQP-GFCCVEGCSA-N	322.170	1.152	50	20	DDGD	
C[C@@]1(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)C[C@H]1Br	907067702	JBBPDXWMLKXNQB-FMCLSXCISA-N	310.191	1.934	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1ccccc1[N+](=O)[O-])C(C)(C)C	822148003	FXGCXIKPFDJULE-GFCCVEGCSA-N	308.338	1.589	50	20	DDGD	
Cc1c(C(=O)N2CC[C@@H](B(O)O)C2)cnn1-c1ccc(F)cc1	585070072	VWCGZODOBVBTJT-LLVKDONJSA-N	317.129	1.009	50	20	DDGD	
Cc1ncc(C(=O)NN=c2sc3ccccc3n2C)c(C)n1	588388414	VLOAVXXRCXPLCS-UHFFFAOYSA-N	313.386	1.892	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@H]2CSCCS2)cn1	491103750	LUFHDCCBFDGNLA-MCWZUMHDSA-N	308.432	1.292	50	20	DDGD	
COC(=O)NCCC(=O)NNc1ccc(Br)nc1	732835896	AONBPSYSGWHYQS-UHFFFAOYSA-N	317.143	1.033	50	20	DDGD	
C=CC(C)(C)C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1	837865783	QHGJJJAVCOAJDN-UHFFFAOYSA-N	324.764	1.856	50	20	DDGD	
C[C@]1(C(=O)N[C@H](CO)CN2CCCCC2)C[C@@H]1Br	908118556	MTJTWJBDEJNVNG-GVXVVHGQSA-N	319.243	1.123	50	20	DDGD	
CN(NC(=O)c1cc2c(nc1O)CCC2)C(=O)OC(C)(C)C	838366096	IVWUZOVAIFOYFA-UHFFFAOYSA-N	307.350	1.788	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccnc(NC2CCC2)c1	900384251	COPPWNXDOKPDSQ-UHFFFAOYSA-N	303.366	1.400	50	20	DDGD	
CCNC(=O)CC(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	833774653	ZTFUOIARFKLIOC-UHFFFAOYSA-N	300.702	1.218	50	20	DDGD	
CCc1[nH]c(C(=O)NNc2cccc(OC)n2)c(C)c1C(=O)O	833669868	XRPQRCCYMRWEQR-UHFFFAOYSA-N	318.333	1.744	50	20	DDGD	
Cc1cccc(OCCCNC(=O)NNc2ccncn2)c1	836211113	ORHYJARXGCWYQF-UHFFFAOYSA-N	301.350	1.880	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(N3CCCC3)c2)n[nH]1	831417562	DIZFBBYDJUDOEG-UHFFFAOYSA-N	313.361	1.393	50	20	DDGD	
N#CC1(C(=O)NNC(=O)c2cc3c(s2)CCC3)CCOCC1	731487557	MSOWBCPYXMNQMZ-UHFFFAOYSA-N	319.386	1.318	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1)C1CCC1	732765734	IZUUNQCZCXTOTK-KBPBESRZSA-N	321.421	1.363	50	20	DDGD	
Cc1cc(C)c2c(c1)C(=NNC(=O)[C@@H]1CCCCO1)C(=O)N2	834989354	GSNDVPHSPKOWRG-LBPRGKRZSA-N	301.346	1.645	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1CCN1CCN(S(=O)(=O)CCl)CC1	830316993	DDUFVKKJJCWXFX-CHWSQXEVSA-N	323.890	1.003	50	20	DDGD	
Cn1nnc2cc(NC(=O)NNC(=O)CC(F)(F)F)ccc21	831966875	XIHPLJGQXADTBX-UHFFFAOYSA-N	316.243	1.073	50	20	DDGD	
Cc1cccc(-n2nnc(C(=O)NNC(=O)C3CCC3)c2C)c1	732142910	MYHONBHUJRQOCJ-UHFFFAOYSA-N	313.361	1.445	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(C(=O)O)s2)n1	831972190	FKNPOMITDBBMOL-UHFFFAOYSA-N	308.319	1.310	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)c1cnn(C)c1)O[C@@H](C)C2	735412403	ZNSCMVZTHFVHPV-JTQLQIEISA-N	314.345	1.516	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCCC1(F)F	837825611	SFAKTRPHNPSPAT-BDAKNGLRSA-N	306.309	1.301	50	20	DDGD	
COC1CCC(NC(=O)NNC(=O)c2ccccc2F)CC1	838758110	LUYZGJFAMGDQIF-UHFFFAOYSA-N	309.341	1.727	50	20	DDGD	
CC(C)C[C@@H]1C[C@H]1NC(=O)NNC(=O)COc1ccc(F)cc1	838754476	JJBNAQCWCYUHQE-BXUZGUMPSA-N	323.368	1.970	50	20	DDGD	
CCC(CC)CN(CCC#N)C(=O)c1ccc(B(O)O)cc1	584941263	AKDSCFOCXIQSNO-UHFFFAOYSA-N	302.183	1.158	50	20	DDGD	
CC(C)OC(=O)[C@H](C)CNC(=O)NNc1cccc(C(=O)O)c1	833504796	PCUZWEBHVLRBGY-SNVBAGLBSA-N	323.349	1.599	50	20	DDGD	
CC(C)(C)/C=C/C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	735593547	JQJJDMOTOICBBK-BQYQJAHWSA-N	314.349	1.230	50	20	DDGD	
CC/C(C)=C\C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1	838042217	QRKXFWJARUXRFX-FLIBITNWSA-N	315.329	1.219	50	20	DDGD	
CCN(CC)C(=O)CCCC(=O)NNc1ccc(C(=O)O)cn1	833653864	MUHKDFBMMSYRAU-UHFFFAOYSA-N	322.365	1.262	50	20	DDGD	
CCOC(=O)CN(CCc1ccccc1)S(=O)(=O)CCl	830467917	VASSYVYCZOKGNL-UHFFFAOYSA-N	319.810	1.620	50	20	DDGD	
O=CN1CCC[C@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	830810790	UUQWUZFVLOIHIK-NSHDSACASA-N	312.713	1.312	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H](C)Oc1ccc(C(F)(F)F)cc1	910159510	IUZDOODFTFAIAK-VHSXEESVSA-N	320.311	1.817	50	20	DDGD	
CC(C)CN1C[C@@H](C(=O)NNc2cccc([N+](=O)[O-])c2)CC1=O	748004296	AMARZQNPYQJNSS-NSHDSACASA-N	320.349	1.542	50	20	DDGD	
Cc1ncc(C=NNC(=O)[C@H](C)CN2C[C@H](C)O[C@H](C)C2)s1	917544137	XMCQCDUEDSHTSU-UTUOFQBUSA-N	324.450	1.647	50	20	DDGD	
CC(C)O[C@@]1(CS(=O)(=O)NCCCSC#N)CCOC1	917006535	CYBRCUBWCGHZRE-LBPRGKRZSA-N	322.452	1.094	50	20	DDGD	
CS(=O)(=O)c1ccc(C=NNC(=O)c2ccc(N)cc2)cc1	918153198	AXBRUIQHLGBTLK-UHFFFAOYSA-N	317.370	1.436	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccccc1Oc1cnn(C)c1	910157577	QZWHIJIMGFNROF-NSHDSACASA-N	304.350	1.170	50	20	DDGD	
CCOc1ccc(C(=O)CCC(=O)NN(C)C[C@H](C)O)cc1	910182852	LYVCWARNNOEYKB-LBPRGKRZSA-N	308.378	1.392	50	20	DDGD	
COC(=O)c1cc(S(=O)(=O)NCCCSC#N)cs1	916978918	HIEGOISWZUYTQD-UHFFFAOYSA-N	320.417	1.417	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)c2cncnc2C)cc1OC	848398690	CMLJZTXPKOORRC-UHFFFAOYSA-N	314.345	1.956	50	20	DDGD	
CO[C@H](CNC(=O)NNc1ccc(Cl)nc1)C(F)(F)F	745819945	PXSCOGDOUSBMDL-SSDOTTSWSA-N	312.679	1.938	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)Sc1cccnc1C#N	848438277	IETWJRUFKDLKQG-SNVBAGLBSA-N	306.391	1.627	50	20	DDGD	
CC(C)[C@H](N)CNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	841943897	QAZKAFXXVJRGIM-CQSZACIVSA-N	320.437	1.911	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccccc1	843650044	ZAOXPTHIJYPYQH-XBFCOCLRSA-N	306.362	1.337	50	20	DDGD	
Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)NN)cc1	841199374	GIAWAQZRLKSJPJ-UHFFFAOYSA-N	315.377	1.407	50	20	DDGD	
CC(C)OC(=O)[C@@H](C)CNC(=O)NNC(=O)CC(C)(C)C	745905447	JTCVNMQSPQNRIC-JTQLQIEISA-N	301.387	1.341	50	20	DDGD	
O=C(NNc1ccc(Cl)c(F)c1)[C@@H]1CCc2nnnn2CC1	845858166	HTHYMMKKRNGKMZ-MRVPVSSYSA-N	324.747	1.561	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1cn2ccccc2n1)C1CCCC1	749417057	OFDXIDVDMSCVSY-LBPRGKRZSA-N	314.389	1.851	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc2c(c1)CNCCO2	841333520	ZXDCSNWVBJRGDH-UHFFFAOYSA-N	306.366	1.367	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1F)c1cn(C)nc1C	917534509	ZVMKJBYCZLVTIF-UHFFFAOYSA-N	304.325	1.787	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C1CCCc2cc(C(=O)O)ccc21	842549430	MESXDGWKQILFHQ-GWCFXTLKSA-N	316.357	1.966	50	20	DDGD	
Cc1cc(NNC(=O)C[C@@H]2SC(=N)NC2=O)ccc1Cl	928341172	QUDVFXLBNYRJBI-VIFPVBQESA-N	312.782	1.648	50	20	DDGD	
Cc1ccccc1-n1cc(C=NNC(=O)[C@H]2CCO[C@@H]2C)nn1	842560560	MPLOIXLVBKUOIT-OCCSQVGLSA-N	313.361	1.451	50	20	DDGD	
CCC/C=C/C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1	744772537	CNXSRSHBIWOCSW-XBXARRHUSA-N	315.329	1.219	50	20	DDGD	
Cc1nn(C)c2ncc(C=NNC(=O)NCc3ccco3)cc12	747611134	PJDHZXDJEBWGOZ-UHFFFAOYSA-N	312.333	1.703	50	20	DDGD	
O=C(NCC[C@]1(O)CCCOC1)NNc1ccc(Cl)nc1	845716150	SNTNSWDGNUNYEX-CYBMUJFWSA-N	314.773	1.293	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)COc2ccc(F)cc2)[C@H]1OC	841612557	LEFGNNJKFNNOQS-UKRRQHHQSA-N	310.325	1.501	50	20	DDGD	
CC1=C(C(=O)N(C)CC(Cl)Cl)[C@@H](C)n2ncnc2N1C	848084329	LOSVUKCXHBPMSP-MRVPVSSYSA-N	318.208	1.825	50	20	DDGD	
COc1cccn2ncc(C(=O)NNC(=O)OC(C)(C)C)c12	929186248	AHJTVTTZCMFPPB-UHFFFAOYSA-N	306.322	1.512	50	20	DDGD	
CC[C@H]1CCC[C@H]1C(=O)NN(C)C(=S)NCCCOC	854286391	ZKDOAPYBDHTQME-NWDGAFQWSA-N	301.456	1.687	50	20	DDGD	
O=S(=O)(CBr)N[C@@H](c1ccccn1)C1CC1	921429042	JJDLODQERYTEDW-SNVBAGLBSA-N	305.197	1.805	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2(N(C)C)CCC2)c1C	855625234	MQQVMXUFTFOQFX-UHFFFAOYSA-N	305.378	1.709	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1COc2ccc(OC)cc2C1	920766603	IUCMHGVOHRTFLO-LBPRGKRZSA-N	321.377	1.377	50	20	DDGD	
CCN(CCOC)CC(=O)NNC(=O)c1cccc(Cl)c1	920087810	HWMSTBGKHXCHSF-UHFFFAOYSA-N	313.785	1.069	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cnccn2)cc1Cl	755406888	VEFCBFJXRPKUAF-UHFFFAOYSA-N	321.724	1.605	50	20	DDGD	
CC[C@H]1COCC1=NNC(=O)c1nnc(-c2ccccc2)o1	853293142	AJWONDVALAAEGY-JTQLQIEISA-N	300.318	1.879	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc2c(cc1SC)OCCO2	756302100	ORVYGTOBXREZCA-UHFFFAOYSA-N	311.363	1.742	50	20	DDGD	
CNC(=O)NN=Cc1c[nH]nc1-c1ccc2c(c1)OCCO2	920377104	KBTYGFMUXKWCPG-UHFFFAOYSA-N	301.306	1.111	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cc2cnn(C)c2)c1C	855627667	XFCZSFNZKXKSOC-UHFFFAOYSA-N	302.334	1.201	50	20	DDGD	
Cc1nc(C=NNC(=O)CCCNC(=O)C(C)(C)C)[nH]c1C	853406743	QQWNZFSMZVKFKY-UHFFFAOYSA-N	307.398	1.419	50	20	DDGD	
O=C(NNC(=O)N1CCO[C@@H](c2ccco2)C1)C1CCCC1	753340767	VQLJJVPWERRZMT-CYBMUJFWSA-N	307.350	1.584	50	20	DDGD	
COC(=O)CN1CCC(NC[C@@]2(C)C[C@@H]2Br)CC1	857065595	RGPCEFHWRLZFPN-WCQYABFASA-N	319.243	1.387	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H](C)[C@H](C)S(C)(=O)=O)cc1F	856227984	OYDQVEBFBQLDLU-UWVGGRQHSA-N	302.371	1.646	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1ccc(F)cc1F	750939096	ZZQQEFMKGARJCK-UHFFFAOYSA-N	321.283	1.828	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCN(C)C2CCCC2)c1	858198061	OERAZXCBPOTJLJ-UHFFFAOYSA-N	324.450	1.875	50	20	DDGD	
Cn1nc(C(=O)NNc2nc(O)c3ccccc3n2)cc1C1CC1	758310958	PHCADTMDOWHOHN-UHFFFAOYSA-N	324.344	1.703	50	20	DDGD	
CO[C@H](Cc1ccccc1)C(=O)NNC(=S)N[C@@H](C)C1CC1	855095557	PJMILUTYZIKNPK-SMDDNHRTSA-N	321.446	1.538	50	20	DDGD	
CCOC(=O)NN=Cc1cc(O)c(O)c(Br)c1	757560642	HHBJKTIDWLYCKD-UHFFFAOYSA-N	303.112	1.940	50	20	DDGD	
O=C1NCC[C@@H]1C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	855018871	YJGKSLMVHMTCAE-ZETCQYMHSA-N	321.686	1.938	50	20	DDGD	
O=C(NN=C1CCOC[C@H]1CN1CCCCC1)c1cc[nH]n1	853393017	YYMKGOXFNDACSO-GFCCVEGCSA-N	305.382	1.018	50	20	DDGD	
O=C(NCc1ncccc1F)NNC(=O)c1ccccc1F	752686810	KWFPFKYVCVYLNE-UHFFFAOYSA-N	306.272	1.504	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NN=Cc1nccs1	853377304	MKIVESFIIMZLMP-ZWNOBZJWSA-N	319.390	1.495	50	20	DDGD	
C[C@H](C(=O)NC[C@@]1(C)C[C@H]1Br)c1cnn(C)c1	857393708	MKSAWRXPZSAEDP-MKPLZMMCSA-N	300.200	1.813	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccc(Cn2ccnn2)cc1	858427488	AABYXGNZHZKQGP-UHFFFAOYSA-N	313.361	1.278	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ncoc1C(C)C	854281716	JJEDFQAUXOSHNG-UHFFFAOYSA-N	314.411	1.286	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Nc1cnc(C)nc1	756369620	CKECOZJWUKIZEY-UHFFFAOYSA-N	301.306	1.260	50	20	DDGD	
COc1ccc(NC(C)=O)cc1NC(=O)NNC(=O)CC(C)C	755499377	BUTCJHVGFDRNLZ-UHFFFAOYSA-N	322.365	1.852	50	20	DDGD	
CC(C)NC(=O)CCNC(=O)NC[C@@]1(C)C[C@H]1Br	856824215	CUTRSMQBTYYFBG-BXKDBHETSA-N	320.231	1.374	50	20	DDGD	
Cc1nccc(CCC(=O)NNC(=S)NCC2CCC2)n1	855087545	MRLFLWDSDWOYLC-UHFFFAOYSA-N	307.423	1.013	50	20	DDGD	
CCc1ncc(C=NNC(=O)[C@H]2COc3ccccc3O2)s1	752154274	DOFCIRFAEBYVND-CYBMUJFWSA-N	317.370	1.996	50	20	DDGD	
CC(C)N1CCC[C@H]1C(=O)NNC(=O)NCCc1cccs1	930734673	NVFXROSCKRXODI-ZDUSSCGKSA-N	324.450	1.494	50	20	DDGD	
Cn1cc(Cl)c(C(=O)NC[C@]2(C)C[C@@H]2Br)n1	862259098	YGWAUQCOOOAVOL-XVKPBYJWSA-N	306.591	1.977	50	20	DDGD	
CC[C@H]1CCCC[C@H]1OCC(=O)NNC(=O)N1CCOCC1	767921421	XEQBOLXAABVYBP-QWHCGFSZSA-N	313.398	1.045	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)OCCN1CCCC1=O	766752037	ODOPFUHLHGVRCR-JTQLQIEISA-N	306.200	1.962	50	20	DDGD	
OB(O)c1ccc(CNc2cccc(OC(F)(F)F)c2)cc1	864020075	VIJDRXHHNDCYIE-UHFFFAOYSA-N	311.068	1.877	50	20	DDGD	
CCOc1nccc(C)c1C(=O)NNC(=O)NCc1ccco1	765251857	MBPHMFDQYWSRJG-UHFFFAOYSA-N	318.333	1.526	50	20	DDGD	
CC(=O)NC[C@H](CC(=O)NN[C@@H](C)C(F)(F)F)CC(C)C	862321280	UFEZERHSOZWHJW-ONGXEEELSA-N	311.348	1.747	50	20	DDGD	
C[C@@H]1c2ccc(Cl)n2CCN1C(=O)c1cccc(B(O)O)c1	863883052	QGFPJBDJXPAHSD-SNVBAGLBSA-N	318.569	1.038	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)C1(c2ccccn2)CC1	869454997	MIOQNUCYBDHWGG-UHFFFAOYSA-N	309.238	1.932	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@H]1[C@H]2c3ccccc3C[C@H]21	862151531	SUYLHGRMHIWUPX-QLFBSQMISA-N	315.442	1.868	50	20	DDGD	
COCC(=NNC(=O)[C@H]1CCC(=O)N1)c1cccc(Cl)c1	863150277	QMSGKPGIBLTGSF-LLVKDONJSA-N	309.753	1.085	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)C1(c2ccccn2)CC1)C1CC1	869219507	VNLIQXBHVACLAW-JTQLQIEISA-N	304.419	1.407	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1cnn(CCN(C)C)c1	867481955	HEGALQZZHYPAPI-UHFFFAOYSA-N	305.357	1.649	50	20	DDGD	
CC(C)N1CCC(C(=O)NNCC(F)(F)C(F)(F)F)CC1	863095633	SUSKIWPODJNZIB-UHFFFAOYSA-N	317.302	1.925	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2ncnc3ccsc23)CCN1C	765822898	CWWCFEZMKXZLFU-ZJUUUORDSA-N	320.422	1.800	50	20	DDGD	
O=C(NNc1ncncc1F)c1cccnc1C(F)(F)F	1117765888	FMMGMFVEOAZDBN-UHFFFAOYSA-N	301.203	1.786	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(OC(F)F)c1	763437808	HIPCGEWLRRNZBA-UHFFFAOYSA-N	315.276	1.092	50	20	DDGD	
Cc1nn(CC(F)(F)F)cc1C(=O)NNC(=O)C1CCCC1	763261135	IEFXOCOIROYVJR-UHFFFAOYSA-N	318.299	1.705	50	20	DDGD	
CC(C)(C)OC(=O)CCCC(=O)NNC(=O)CC(F)(F)F	1118218018	FZULBGKMCQZTQC-UHFFFAOYSA-N	312.288	1.598	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)C(C)(C)C	772135647	IDENGJNBPWCZKQ-WDEREUQCSA-N	300.399	1.794	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc(-n2cccn2)nc1	875662626	GIWCKILYGDFZRD-UHFFFAOYSA-N	303.322	1.437	50	20	DDGD	
CC[C@]1(C(=O)NNc2ncccc2C(F)(F)F)CCNC1=O	878916917	WYECJFJEEVNSFT-LBPRGKRZSA-N	316.283	1.460	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)Cc1ccccc1Cl)c1ccncc1	771837502	BVARTMNOEAJVCL-ZDUSSCGKSA-N	319.748	1.100	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)c2ccccc2O)ccc1Cl	777791427	JDUVAOOCFHIELT-UHFFFAOYSA-N	315.716	1.992	50	20	DDGD	
CN1CCc2ccc(NC(=O)NNC(=O)C3CCOCC3)cc21	879115339	HDRUFWQFGNKHCS-UHFFFAOYSA-N	318.377	1.258	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1nc(Br)cs1	779748970	ICODWPMYSWZZED-UHFFFAOYSA-N	319.184	1.260	50	20	DDGD	
COc1ccc(-c2nnc(NC(=O)NNC(C)=O)s2)cc1	775833306	BGCYGRAAVWIKOX-UHFFFAOYSA-N	307.335	1.386	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NN=C2COC[C@H]2C)n[nH]1	884439097	UBOUOJJYGHGEAU-SNVBAGLBSA-N	314.345	1.837	50	20	DDGD	
CC(CCn1cccn1)=NNC(=O)c1nnc(O)c2ccccc12	776759527	AFGOZAYHUGALKD-UHFFFAOYSA-N	324.344	1.728	50	20	DDGD	
COc1nc(C)ccc1C(=O)NNC(=O)CCc1ccccc1	776871496	SLCYOUCESLDFGA-UHFFFAOYSA-N	313.357	1.792	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H]1CCc2c[nH]nc2C1	777774665	WINDXVGYPIVVKC-SNVBAGLBSA-N	314.345	1.445	50	20	DDGD	
COc1ccc2c(c1)OC[C@H](NS(=O)(=O)CCCCl)C2	882032812	SVDKKZLCBIENMY-LLVKDONJSA-N	319.810	1.547	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cc([N+](=O)[O-])c2nsnc2c1	771501290	FYJFFNFIDFKMKG-UHFFFAOYSA-N	309.307	1.017	50	20	DDGD	
Cc1csc(NC(=O)C(=O)NNc2cccc(C#N)c2)n1	773681316	PUMVCSUMAXTIFE-UHFFFAOYSA-N	301.331	1.405	50	20	DDGD	
CC(=O)N[C@H](CC(=O)N1CC=C(C#N)CC1)c1cccs1	780689677	JRIKOAYEEYAEEJ-CYBMUJFWSA-N	303.387	1.998	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1ccc([N+](=O)[O-])cc1F	781825081	ZCXZZIJDFHLGDE-UHFFFAOYSA-N	311.660	1.934	50	20	DDGD	
Cc1cccc(OCC(=O)NNc2ccc(-n3ccnc3)nn2)c1	788175678	YAYBQGJETUXDHZ-UHFFFAOYSA-N	324.344	1.493	50	20	DDGD	
CCOC1CC(CCNS(=O)(=O)CBr)C1	788919034	ZRYCQLYTIZCRQZ-UHFFFAOYSA-N	300.218	1.463	50	20	DDGD	
COC(=O)N1CCC(C(=O)NNc2ccc(F)c(F)c2)CC1	885115479	IZGPZCUNKAHHQO-UHFFFAOYSA-N	313.304	1.886	50	20	DDGD	
COCC(=O)Nc1ccc(NC(=O)NNC(=O)C(C)C)cc1	782550119	XYFZEESJSMPMNE-UHFFFAOYSA-N	308.338	1.080	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@@H]1C[C@H]1c1ccccc1F	883687526	QVCBPMOAKMKVFI-GXTWGEPZSA-N	321.352	1.439	50	20	DDGD	
CN(CCCF)CC(=O)NNC(=O)c1cccc(Cl)c1	887140278	XYPPVMAUSJGQPS-UHFFFAOYSA-N	301.749	1.392	50	20	DDGD	
C[C@H]1CCC[C@H](OCC(=O)NNC(=S)NC(C)(C)C)C1	899994819	ASWXIKXKBJDDPE-QWRGUYRKSA-N	301.456	1.876	50	20	DDGD	
C#CCCCC(=O)NNC(=S)Nc1ccc(NC(C)=O)cc1	899620799	UDIPRZXCMRQDSM-UHFFFAOYSA-N	318.402	1.766	50	20	DDGD	
C[C@@H]1CN(C(=O)COC(=O)/C(C#N)=C/c2ccccc2)CCO1	785347846	HXEMSWYEGGDOLV-GULXKOIASA-N	314.341	1.384	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2c(C)coc2C)cc1OC	785682694	SUUNQMXYQIPSGC-UHFFFAOYSA-N	318.329	1.988	50	20	DDGD	
COc1cc(NNC(=O)C(=O)Nc2nocc2C)ccc1Cl	789804739	NMUUXFJNLFBBAJ-UHFFFAOYSA-N	324.724	1.727	50	20	DDGD	
CO/C(=C/c1ccccc1)C(=O)NNC(=S)NC(C)(C)C	899995930	JTRLNQNNPFDLKO-ZRDIBKRKSA-N	307.419	1.968	50	20	DDGD	
O=C(NNc1ncccn1)[C@H]1CC(c2c(F)cccc2F)=NO1	791316027	FDBIHUHCDHSGMU-LLVKDONJSA-N	319.271	1.391	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCCO2)c1cnoc1C	799476250	APHYTFAFUWJOFQ-UHFFFAOYSA-N	301.302	1.908	50	20	DDGD	
Cc1cc2n[nH]cc2cc1NC(=O)C(=O)NNc1ccccn1	792261021	SOHNQKDVCPYALS-UHFFFAOYSA-N	310.317	1.348	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NNC(=O)NCC(F)(F)F	798315113	OCJGGRNGBUOFLP-YIZRAAEISA-N	310.320	1.140	50	20	DDGD	
C[C@@H]1COCCC1=NNC(=O)c1cc(Br)c[nH]1	794489234	ZEJALAWEVGJCOV-SSDOTTSWSA-N	300.156	1.919	50	20	DDGD	
O=C(NNC(=O)c1ccnn1-c1ccccc1)c1ccccn1	792006437	TVBVQIXWSFACHE-UHFFFAOYSA-N	307.313	1.342	50	20	DDGD	
CCO[C@H]1C[C@H](NCC(=O)NNC(=O)C2CC2)C12CCCCC2	794574678	NQOUBHZSJOAAKQ-KBPBESRZSA-N	323.437	1.261	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)cc1	799914851	CDKURKKDHPJKGM-HWWQOWPSSA-N	320.389	1.589	50	20	DDGD	
COc1cc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])nn1C	791070093	YFHXSSAWXFYSTO-UHFFFAOYSA-N	309.257	1.233	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc(C)nc(O)c2)cc1	1319985384	VJZDYTCPEXEFBX-UHFFFAOYSA-N	301.302	1.179	50	20	DDGD	
Cc1ccc2c(c1)S[C@@H](C(=O)NNC(=O)[C@H]1CCCCO1)C2	1328012889	FDBWRMJKOSZEOX-TZMCWYRMSA-N	320.414	1.728	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cnn2ccncc12	1324987328	GNIYXSWDEVZBKP-UHFFFAOYSA-N	311.301	1.273	50	20	DDGD	
Cc1ccc(CO[C@H](C)C(=O)NNC(=S)NC(C)C)cc1	1328689295	MVLCMMXORBORII-GFCCVEGCSA-N	309.435	1.804	50	20	DDGD	
N#CC1=CCN(C(=O)c2cccc(CN3C(=O)CNC3=O)c2)CC1	1320162532	HFQDXADGSDEUKH-UHFFFAOYSA-N	324.340	1.034	50	20	DDGD	
O=C(CSCc1cccs1)NNC(=O)[C@H]1CCCCO1	1325213808	WJKQUDYPZLGIFW-LLVKDONJSA-N	314.432	1.698	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccc2c(c1)OCO2)n1cccc1	1323155556	YRIDOBBIVQGKND-JTQLQIEISA-N	301.302	1.239	50	20	DDGD	
CC(=NNC(=O)CCN1CCC(C)CC1)c1nccnc1C	1320577326	ZYFSGFJZJVJQLF-UHFFFAOYSA-N	303.410	1.747	50	20	DDGD	
O=C1COc2ccc(NC(=O)NCC(Cl)Cl)cc2N1	1330658401	QPVDHUCMPIMYGS-UHFFFAOYSA-N	304.133	1.943	50	20	DDGD	
C[C@H](CN1CCN(C)CC1)NC(=O)c1cccc(CCl)c1	1337123311	HVVZIBWIMRUWQF-CYBMUJFWSA-N	309.841	1.791	50	20	DDGD	
Cn1nc2c(c1C(=O)NNC(=O)c1ccccc1Cl)CCC2	1333218601	LHIGSYBECZWJRA-UHFFFAOYSA-N	318.764	1.637	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(F)cc2O)cc1	1335286886	TTWXXCPSWKQFQP-UHFFFAOYSA-N	304.277	1.615	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1csc(N2CCCCC2)n1	1338307563	GGXRXBXBBBZWIP-UHFFFAOYSA-N	310.423	1.941	50	20	DDGD	
C=CCOc1c(Cl)cc(C=NNC(=O)CCO)cc1OC	1331821928	RIKZIFQSBZAGMX-UHFFFAOYSA-N	312.753	1.746	50	20	DDGD	
O=C(NNc1ncncc1F)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2	1261264434	QEQUTJWSVPSJHR-OAAXVMEWSA-N	306.341	1.390	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1cnoc1C1CC1	1340827331	RSRSOXJJPBJEHV-UHFFFAOYSA-N	320.374	1.800	50	20	DDGD	
Cc1nn(C)cc1CCC(=O)NNCC(F)(F)C(F)(F)F	1261832945	GPXCHVKCPQIVHX-UHFFFAOYSA-N	314.258	1.480	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)N[C@H](C)c1nnnn1C	1349233161	CLYLPEIHCALOPI-MRVPVSSYSA-N	309.761	1.559	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2cncc(C(=O)O)c2)n1	1607631966	BTJMGCCIVPNRKX-UHFFFAOYSA-N	302.294	1.335	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@H](C(=O)O)c2ccsc2)cn1	1600945576	HQLUBHGGKOQASL-MCWZUMHDSA-N	316.342	1.331	50	20	DDGD	
CCOC(=O)C1(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)CC1	1605514842	DPBNJIGOAXUXPY-UHFFFAOYSA-N	323.257	1.542	50	20	DDGD	
Cc1c(NNC(=O)C(F)(F)C2(O)CCC2)cccc1C(=O)O	1600050373	DEYXOFOHABXETJ-UHFFFAOYSA-N	314.288	1.687	50	20	DDGD	
O=C(O)CNC(=O)NN=C1CCCc2[nH]c3ccc(F)cc3c21	1602071253	KGUIDNPQBOKEKI-UHFFFAOYSA-N	318.308	1.731	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccc(F)c(C(=O)O)c2)cn1	1606931597	XEUVFWKCMBQBOL-UHFFFAOYSA-N	322.296	1.124	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)C2(C(=O)O)CC3(CCC3)C2)c1	1600648557	SQCCTSABEDAWPE-UHFFFAOYSA-N	322.386	1.853	50	20	DDGD	
O=C(NN=Cc1cccc(F)c1)c1ccc(-c2nn[nH]n2)cc1	1609557884	AULQAEACFOJJHG-UHFFFAOYSA-N	310.292	1.770	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2cc(C(=O)O)c(C)o2)n1	1607632274	IIVDRFUCTPBICL-UHFFFAOYSA-N	319.321	1.519	50	20	DDGD	
Cc1c(NNC(=O)c2c([N+](=O)[O-])cnn2C)cccc1C(=O)O	1600056132	UUJQTGZNOMTODN-UHFFFAOYSA-N	319.277	1.092	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNc1ccc(CC(=O)O)cc1	1600808417	OYBCFHXYMYRHRQ-UHFFFAOYSA-N	303.318	1.604	50	20	DDGD	
O=C(Cc1ccc(C(=O)O)nc1)NNc1cccnc1Cl	1608362328	URIANQWVFYARNM-UHFFFAOYSA-N	306.709	1.514	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)O)cn1	1610601678	RSIXPDBPIPFQLX-AABDMYLDSA-N	316.361	1.477	50	20	DDGD	
O=C(NN=C1CCC(F)(F)CC1)[C@H]1CN2CCC[C@H]2CO1	1549316194	ROMBRADTXPXQOR-NWDGAFQWSA-N	301.337	1.531	50	20	DDGD	
CCCc1cccc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)c1	1549322071	XCPMTGCMKYWQSV-DLBZAZTESA-N	315.417	1.952	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1ccc(C)cc1	1549314704	JWFNMTXWIWUWPJ-JKSUJKDBSA-N	301.390	1.698	50	20	DDGD	
Cn1cc(C(=O)NN=C[C@H]2CCCO[C@H]2c2nccn2C)cn1	1552448334	AZKZJYBGOKUBNM-DGCLKSJQSA-N	316.365	1.037	50	20	DDGD	
N#CC1=CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1	1649747301	QVCXZYTYAMCCSA-OAHLLOKOSA-N	320.352	1.593	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)NCC2(N)CC2)c(Cl)c1	1579720233	JHFZQGNXJVEKEE-UHFFFAOYSA-N	311.773	1.475	50	20	DDGD	
C[C@@H](NNC(=O)c1cccc2c1OCCNC2)C(F)(F)F	1576252641	QTSJLULZHOUDHD-MRVPVSSYSA-N	303.284	1.354	50	20	DDGD	
CC(C)(C(=O)O)[C@H]1CCCN(S(=O)(=O)CCCCl)C1	1589616759	GLAKDWLSURJTOW-JTQLQIEISA-N	311.831	1.768	50	20	DDGD	
C[C@@H](CC(=O)O)NC(=O)NNC(=O)c1ccc(Cl)cc1F	1589000692	CKPYODMNSFEHEZ-LURJTMIESA-N	317.704	1.286	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H](C(=O)O)C2CC2)c1	1588439482	OQOKTMLFBXSUDM-GFCCVEGCSA-N	317.370	1.096	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)[C@H]1[C@H]2CCNC[C@H]21	1580571191	NRFSFMZWARUKRX-JZXOWHBKSA-N	323.396	1.385	50	20	DDGD	
O=C(c1nccs1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843362916	KIJNYHFHICYVNA-QMMMGPOBSA-N	317.773	1.495	50	20	DDGD	
Cc1cc(C(=O)NNc2ncccc2C(=O)O)cc([N+](=O)[O-])c1	1594280975	DAVNAZRWUDAPER-UHFFFAOYSA-N	316.273	1.753	50	20	DDGD	
COc1ccc(-c2nc(C=NNC(=O)C(=O)O)cs2)cc1	1599469858	UOGPXQODWHBGSK-UHFFFAOYSA-N	305.315	1.353	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)C(C)(F)F)C2	1845164109	LKNSECRFOHSJSQ-VIFPVBQESA-N	308.756	1.862	50	20	DDGD	
COc1cnc(F)c(C(=O)NNc2ccc(C(=O)O)cn2)c1	1599724317	FCWBBQWLQJDPMZ-UHFFFAOYSA-N	306.253	1.079	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1nnc(C)s1	1599378714	ZZZTXDLAKBAUEB-UHFFFAOYSA-N	308.319	1.310	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@H](C(=O)O)C1CC1	1593866787	BXRYVQDNRCIHSG-SNVBAGLBSA-N	310.281	1.166	50	20	DDGD	
Cc1noc(C)c1C=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1592456304	PCLCOXDPVKWGDC-UHFFFAOYSA-N	311.305	1.235	50	20	DDGD	
O=C(NN=CCCc1ccc(-c2nn[nH]n2)cc1)c1cnccn1	1593155370	JVRPSJCAZWPDRU-UHFFFAOYSA-N	322.332	1.005	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc(O)nc2ccccc12	14894752	ODZJTQJXTUVZPM-UHFFFAOYSA-N	318.402	1.848	50	20	DDGD	
C[C@H](Oc1cccc(C=NNC(=O)c2nccs2)c1)C(=O)O	1776109718	WIJVHSZOGFRLPH-VIFPVBQESA-N	319.342	1.759	50	20	DDGD	
CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(C)=O)C2	1793447685	VNUBJQQZHJMVPO-RNJOBUHISA-N	302.802	1.003	50	20	DDGD	
O=C(NCCCn1cccn1)NNc1ncnc2ccsc12	162190008	JEHLPZFQCBEZTE-UHFFFAOYSA-N	317.378	1.604	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2ccnn2CC2CC2)n1	160443136	WUEWGSSQOQVRSM-UHFFFAOYSA-N	301.354	1.849	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2c(F)cccc2F)ccn1	156610580	TZEZFUWHTIAOFP-UHFFFAOYSA-N	307.256	1.903	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC(F)(F)F)cc1OC	5745379	DRFGDNZYHSMAKC-UHFFFAOYSA-N	321.255	1.210	50	20	DDGD	
CN(C)C(=O)[C@@H]1CCCN1C[C@@H](CBr)C1CC1	859068797	SBFLWBLLKVMENZ-NEPJUHHUSA-N	303.244	1.960	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)N(C)NC(=O)OCc1ccccc1	862287666	RSVAQLJRMGNJJT-NSHDSACASA-N	308.334	1.485	50	20	DDGD	
Cc1cc(C)c(NCC(=O)NNC(=S)NC2CC2)c(C)c1	7555509	QIOANKGEXWFCLX-UHFFFAOYSA-N	306.435	1.681	50	20	DDGD	
CCN(C)[C@H](C(=O)NNC(=O)c1ccc[nH]1)c1ccccc1	103186090	AQFNQMUEWJCFKD-AWEZNQCLSA-N	300.362	1.469	50	20	DDGD	
NC(=O)COc1ccc(C(=O)NNc2ccc(F)cc2)cc1	171522743	BARJLSRCUAWBRE-UHFFFAOYSA-N	303.293	1.447	50	20	DDGD	
CO[C@@H](C)CC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	112823596	DCZQGWHHAMSJFR-NSHDSACASA-N	302.334	1.058	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)Nc2ccncc2)c1	56498834	WGJNNHNQVRHRLQ-UHFFFAOYSA-N	314.345	1.930	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(C(=O)N(CC)CC)cc1	104328658	HKGSYSZHULXGJA-UHFFFAOYSA-N	306.366	1.133	50	20	DDGD	
CCc1nc([C@H](C)NC(=O)NNC(=O)[C@@H]2CCCO2)cs1	111894617	MJUOUVYOMRJCHP-WPRPVWTQSA-N	312.395	1.276	50	20	DDGD	
CC(C)C[C@H]1CCCN1C(=O)NNC(=O)Cc1cccnc1	103518548	YDZMITQDWFURSF-CQSZACIVSA-N	304.394	1.875	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)Cc1cc[nH]n1	106417434	MCOHBAXTGNJNPL-SECBINFHSA-N	322.752	1.221	50	20	DDGD	
C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)CC(C)(C)C	60792595	YHEDZXQJSGQNLL-NSHDSACASA-N	303.362	1.909	50	20	DDGD	
CC(C)[C@@H](C)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1	171921661	BAVNXYSQHSPZAL-SNVBAGLBSA-N	312.391	1.143	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1ccc([N+](=O)[O-])c(O)c1	118498415	LZRVJWBFZSFDHA-UHFFFAOYSA-N	309.669	1.501	50	20	DDGD	
CCCCCS(=O)(=O)CC(=O)NNc1nccnc1Cl	114896843	ORKHPIBIHBZSDH-UHFFFAOYSA-N	320.802	1.178	50	20	DDGD	
O=C(NNc1cccnn1)c1c[nH]nc1-c1c(F)cccc1F	177920202	QRDDWZVEVKZSLY-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
C[C@@H]1CN(CCC(=O)NNC(=O)c2ccc(F)cc2)C[C@@H](C)O1	68194714	MEJWUTWHZAXDKL-VXGBXAGGSA-N	323.368	1.086	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CCc2cscn2)cc1	171285586	LZERTCQIAPTUDR-UHFFFAOYSA-N	300.343	1.409	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(F)c1	124802160	UNKGXTADYCETOO-SSDOTTSWSA-N	315.732	1.611	50	20	DDGD	
CS[C@@H](C)CC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	121112376	VVEXJMCOAQCXAR-NSHDSACASA-N	318.402	1.775	50	20	DDGD	
CCC[C@H]1C[C@@H](C(=O)NNC(=O)CNc2ccccc2)CCO1	182942817	JJAPYPWGVGYVAE-ZFWWWQNUSA-N	319.405	1.841	50	20	DDGD	
COc1cccc(NNC(=O)Nc2c(C)ccn(C)c2=O)n1	184067724	LFAUIXHWUNRING-UHFFFAOYSA-N	303.322	1.246	50	20	DDGD	
O=C(CCCn1cncn1)NNc1nc(-c2ccccc2)no1	76462531	QLMXOHOGPMJVPW-UHFFFAOYSA-N	313.321	1.252	50	20	DDGD	
CCc1onc(C)c1NC(=O)NNC(=O)c1ccc(C#N)cc1	183402095	NHNLOAOQMYCCNX-UHFFFAOYSA-N	313.317	1.884	50	20	DDGD	
CS(=O)(=O)CCCC(=O)NNc1cccc2c1CCCC2	120240760	OWXNGUVIVKWCAX-UHFFFAOYSA-N	310.419	1.833	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CC2CCCC2)c(F)c1	125872610	YYGRSHJDIGFYLA-UHFFFAOYSA-N	321.352	1.800	50	20	DDGD	
Cc1cc(F)cc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c1	74235832	QFEHNSBFTLQAJB-ZDUSSCGKSA-N	314.382	1.240	50	20	DDGD	
O=C(Cc1cncs1)NNc1nc(-c2ccccc2)no1	187850131	GRNWNAQKQFHOJZ-UHFFFAOYSA-N	301.331	1.879	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1ccc2oc(=O)ccc2c1	125690153	LOOKAXMVZANVQJ-UHFFFAOYSA-N	312.285	1.588	50	20	DDGD	
CCS(=O)(=O)C[C@H](C)NC(=O)NNc1c(C)cccc1F	185391995	VKYFZMPBGJJCTH-JTQLQIEISA-N	317.386	1.583	50	20	DDGD	
O=S(=O)(CBr)N1CCC([C@H]2CCOC2)CC1	374588824	UGTKFCGNOCFCCU-JTQLQIEISA-N	312.229	1.417	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(C)(Cl)Cl	183449383	QYANTOBIELDHSZ-ZETCQYMHSA-N	323.151	1.934	50	20	DDGD	
CCN1C[C@H](C(=O)NNc2nc(-c3ccccc3)no2)CC1=O	76462938	UQQZZMZDHRVZSU-LLVKDONJSA-N	315.333	1.048	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C[C@](C)(O)c2ccccc2)n1	182544866	JOIXOJZMRIVLQB-INIZCTEOSA-N	316.361	1.535	50	20	DDGD	
O=C(CCc1ccc2[nH]ccc2c1)NNC(=O)Cc1cccnc1	180391624	SGCPWIDQQIPFGZ-UHFFFAOYSA-N	322.368	1.886	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccc(C(N)=O)nn1)c1ccc(F)cc1	131397604	AGLIIBNWRLFGAW-LLVKDONJSA-N	317.324	1.352	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1ccc(F)c(F)c1	49124679	JLPGRIUHDFGFRA-UHFFFAOYSA-N	307.322	1.257	50	20	DDGD	
CN(C)[C@@H](CNS(=O)(=O)CCCCl)c1ccccc1	40809585	KMDHLGRIMPBNLZ-ZDUSSCGKSA-N	304.843	1.838	50	20	DDGD	
CCc1nn(C)c(CC)c1CC(=O)NNc1ccc(Cl)nn1	192360726	ZFDMFOVHXQTZQU-UHFFFAOYSA-N	322.800	1.674	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1csc([N+](=O)[O-])c1	191890342	ACOQPOCFTOCVMJ-UHFFFAOYSA-N	304.291	1.456	50	20	DDGD	
CC(C)N1CCC(C(=O)NNC(=O)c2ccc(C#N)cc2)CC1	81306568	ROJFLNJZJWFCAM-UHFFFAOYSA-N	314.389	1.440	50	20	DDGD	
Cc1noc(C2CCN(CCI)CC2)n1	190830799	KTMXDIQIVWTYGQ-UHFFFAOYSA-N	321.162	1.992	50	20	DDGD	
CCC(=O)Nc1cccc(C(=O)NNc2nc3ccccn3n2)c1	191915441	MIHLBDRGMJQUIH-UHFFFAOYSA-N	324.344	1.835	50	20	DDGD	
C[C@H](NC(=O)C(C)(C)C)C(=O)NNc1cc(C#N)cc(Cl)n1	93544909	CGRZSLVYYIODBA-QMMMGPOBSA-N	323.784	1.601	50	20	DDGD	
Cc1onc(-c2ccncc2)c1C(=O)NNC(=O)C1CCC1	268785134	DNIVFKRFPVNENM-UHFFFAOYSA-N	300.318	1.606	50	20	DDGD	
O=C(C[C@H]1CCc2ccccc2C1)NNc1ncnc2nc[nH]c12	266513045	XVQUSTWGKNXGIQ-NSHDSACASA-N	322.372	1.991	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)C(C)(C)C)Cc2ccccc21	264560703	BRNOFPSLCCJDLK-UHFFFAOYSA-N	304.394	1.725	50	20	DDGD	
COc1cccc(CNC(=O)NNC(=O)C2CCC2)c1OC	264733731	NLPPQHKJKJVYNN-UHFFFAOYSA-N	307.350	1.334	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CCn1cccn1)c1ccccc1	264557839	NFSRXZKGFFSBAU-UHFFFAOYSA-N	300.362	1.398	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C(C)(C)C(C)C)cc1	275893617	JKFIRTMIFQIUEE-UHFFFAOYSA-N	307.394	1.937	50	20	DDGD	
CC[C@@H]1C[C@@H](CC(=O)NNc2nc3ccccn3n2)CCO1	276895752	ZBWKYYFMNQZKFV-NWDGAFQWSA-N	303.366	1.768	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)c1)NOC[C@H]1CCOC1	276330677	SMGNKJCFCUINJM-VIFPVBQESA-N	313.741	1.252	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C[C@](C)(O)C2CC2)c1	270159414	YJCOKYQDYYGCSU-INIZCTEOSA-N	306.362	1.072	50	20	DDGD	
C[C@H](CO)CCCNC(=O)NNC(=O)c1cc2ccccc2o1	270352826	ADYWAEKIODRARV-NSHDSACASA-N	319.361	1.785	50	20	DDGD	
COCCOc1cc(NC(=O)NNC(=O)C2CC2)ccc1OC	274124334	UBJOFZARMVFZLY-UHFFFAOYSA-N	323.349	1.283	50	20	DDGD	
Cc1c(NNC(=O)[C@H]2CCc3[nH]ncc3C2)cccc1[N+](=O)[O-]	270257103	YJHKRFHWMJAQLZ-JTQLQIEISA-N	315.333	1.875	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCCC2)c1ccccc1F	276445891	MTRGFVYCDFBVKA-UHFFFAOYSA-N	316.336	1.893	50	20	DDGD	
O=S(=O)(CBr)N[C@@H]1C[C@@H]1Cc1ccccc1	272806119	MEWWLUWUPQXCRG-WDEREUQCSA-N	304.209	1.889	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)[C@@H](C)c2ccncc2)n1	279593301	CVBBBHIUPNWVMH-LBPRGKRZSA-N	313.361	1.832	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2ccc(Cl)nc2)[C@@H]1OC	275377958	ZJVMMZCRALBGKV-UMNHJUIQSA-N	314.773	1.554	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNc2nnc(-c3ccccn3)s2)CCO1	276515237	WZCUKCDMMPQDSY-VHSXEESVSA-N	319.390	1.858	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H]1CCO[C@H](C)C1	271274610	PBRCNSDZVHIWJK-MNOVXSKESA-N	307.350	1.207	50	20	DDGD	
CCCCCS(=O)(=O)CC(=O)NNc1ccc(OC)cn1	275551379	LWXFJESGAFOLEM-UHFFFAOYSA-N	315.395	1.138	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2nnc(C3CC3)s2)nc1	273655288	ZDOSKVBMEYAOHN-UHFFFAOYSA-N	319.346	1.354	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)[C@H]1CCCCS1	272931999	HHCAFKUQMQNDEU-CYBMUJFWSA-N	308.403	1.758	50	20	DDGD	
O=S(=O)(CBr)NC[C@H](O)c1ccccc1F	271376911	JKZVQIJWRFVZGR-VIFPVBQESA-N	312.160	1.131	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)CCCCCl)CC[S@@](=O)C1	374005465	HQECWFSCLLFVHY-QLJPJBMISA-N	301.861	1.036	50	20	DDGD	
CC1(CCNC(=O)NNC(=O)COc2ccccc2C#N)CC1	280489469	VLXFOQYRTBKILW-UHFFFAOYSA-N	316.361	1.458	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1cc2n(n1)CCO2	377718933	JNCCUOZBUMJGNS-UHFFFAOYSA-N	323.696	1.594	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H]1CCC(=O)c2ccccc21	283268015	CUEDWCJCHZHAFT-ZDUSSCGKSA-N	319.361	1.114	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@H]2CCOC[C@@H]2C)n1	288596244	HSDZITOMIBOCNZ-CMPLNLGQSA-N	306.366	1.007	50	20	DDGD	
CSSCCNC(=O)Nc1ccn(CC(=O)N(C)C)n1	284477906	BROGCTJCJCBXPN-UHFFFAOYSA-N	317.440	1.104	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2occ3c2CCOC3)nc1	376121819	BDMWUGNPEIIKSY-UHFFFAOYSA-N	317.301	1.291	50	20	DDGD	
COC(=O)N(C)NC(=O)CCCC(=O)Nc1ccccc1C#N	286291314	JIPCGMNAGNAHHW-UHFFFAOYSA-N	318.333	1.396	50	20	DDGD	
COC(=O)[C@H]1CCCCCN1CCI	370705421	GVCKSKGXKPSJBK-SECBINFHSA-N	311.163	1.839	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccnc2OC(C)C)o1	287729719	KKFAFBCCBWIBJO-UHFFFAOYSA-N	303.318	1.845	50	20	DDGD	
CCOC1(C(=O)NNc2ccc(-n3ccnc3)nn2)CCCC1	286568199	ITYPVZSTYNSENJ-UHFFFAOYSA-N	316.365	1.455	50	20	DDGD	
O=C(NNc1ncccc1F)Nc1nc2c(s1)COCC2	287396588	VYKPGDJJBFFTIO-UHFFFAOYSA-N	309.326	1.899	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1ccnc(C(F)(F)F)c1	296643357	MTIBXSOIDQYUAC-UHFFFAOYSA-N	318.299	1.977	50	20	DDGD	
CC(C)(CCC(=O)NNC(=O)CNc1ccccc1)[N+](=O)[O-]	295822213	USHLYJYXGZOSRC-UHFFFAOYSA-N	308.338	1.081	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=C2CCC[C@H]3C[C@@H]23)c1	800810787	VETQOILZHQMERB-GXFFZTMASA-N	306.387	1.996	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2ncoc2C2CC2)n1	294793658	AWFQZYGAXZIZNR-UHFFFAOYSA-N	316.365	1.945	50	20	DDGD	
COc1ccccc1C(=O)NCC(=O)NNc1ncccc1F	804219797	HDBIVVXLSHXYBW-UHFFFAOYSA-N	318.308	1.102	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2occ3c2CCC3)cc1	806364827	ATCPPKSABPHJBI-UHFFFAOYSA-N	313.357	1.950	50	20	DDGD	
CC[C@@H](C)[C@@H](CNC(=O)NNc1nc(C)cc(OC)n1)OC	297779823	MAWGXYKAQPVZGT-MWLCHTKSSA-N	311.386	1.481	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCCCOC(F)F	801071807	WKTFUNSBVYBMDR-UHFFFAOYSA-N	319.283	1.328	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCC2CC(F)(F)C2)n1	292031710	YIWDQPGBDSWLIU-UHFFFAOYSA-N	301.297	1.465	50	20	DDGD	
O=C(CO)NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl	802068868	KBKPOBVAURIIJM-UHFFFAOYSA-N	312.540	1.792	50	20	DDGD	
CSSCCNC(=O)N(CCS(C)(=O)=O)C1CC1	807232815	LTNRMASBEZCMIV-UHFFFAOYSA-N	312.482	1.216	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H](c2ccccc2)OC1=O)C1CCCC1	809603376	DTLYGPQQLNZXLZ-KBPBESRZSA-N	316.357	1.628	50	20	DDGD	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	295393079	QQOWSUBMXQEUFN-DTWKUNHWSA-N	317.267	1.743	50	20	DDGD	
COc1ccc(C)nc1NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	297293431	WIFFZVIVHXFKPK-ONGXEEELSA-N	308.338	1.119	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2COC[C@H]2O)c1C	296827294	GGDABFQXQBKMLW-DJYJQHBUSA-N	317.389	1.298	50	20	DDGD	
COc1cc(C)ccc1CNC(=O)NNC(=O)[C@@H]1CCCCO1	296313490	FQWRNSNMNPCDSS-ZDUSSCGKSA-N	321.377	1.403	50	20	DDGD	
Cc1cc(O)nc2cc(C(=O)NNC(=O)c3ccc[nH]3)ccc12	809145090	NGFMKVGKLNEWKD-UHFFFAOYSA-N	310.313	1.652	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H](c2ccccc2)OC1=O)C1CCCC1	809603378	DTLYGPQQLNZXLZ-KGLIPLIRSA-N	316.357	1.628	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CCCC(=O)N(C)C)cc1	802057202	NRSJAGIDBZMXGZ-UHFFFAOYSA-N	322.365	1.106	50	20	DDGD	
C[C@@H](NC(=O)c1cccs1)C(=O)NNc1ncccc1F	804214428	XAWAXHHREVSOLE-MRVPVSSYSA-N	308.338	1.544	50	20	DDGD	
CO[C@@H]1CCC[C@H](C(=O)NNc2ccc(-n3ccnc3)nn2)C1	816659824	CKWBKPRWNFAEBL-NWDGAFQWSA-N	316.365	1.311	50	20	DDGD	
CC(=NNC(=O)N=c1cc[nH]cc1)c1ccc(-n2cnnn2)cc1	814999878	BDMZRXVBUAIWGY-UHFFFAOYSA-N	322.332	1.025	50	20	DDGD	
CC(=O)NNC(=O)c1nn(-c2cccc(F)c2F)c2c1CCC2	817509920	YXQHYEFFNRJRBH-UHFFFAOYSA-N	320.299	1.420	50	20	DDGD	
O=C(NNc1ncncc1F)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53	817080778	DLRYIJUNPJFONK-HTAWBZOUSA-N	300.337	1.453	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)CC1CC1)N1C[C@@H](C)O[C@H](C)C1	819136118	MTRFURCWARGIDM-LALPHHSUSA-N	311.426	1.068	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)C[C@@H](C)n2cccn2)o1	819197295	HYSJEOFYHXEYIX-SNVBAGLBSA-N	302.338	1.961	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)C1(C(F)F)CCCC1	813611352	SWPQSPRYFJDKQX-UHFFFAOYSA-N	322.319	1.931	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1cccc(Oc2nccs2)c1	816632543	NUPHLJSAMQXEFM-UHFFFAOYSA-N	302.319	1.810	50	20	DDGD	
CC(=NNC(=O)NCc1ccco1)c1cc([N+](=O)[O-])ccc1N	814817080	JAIHKRIPVPCJSA-UHFFFAOYSA-N	317.305	1.993	50	20	DDGD	
Cc1cc2ncc(C(=O)NNC(=O)c3ccccc3)c(C)n2n1	818789801	KLFNPVIGFWYSEY-UHFFFAOYSA-N	309.329	1.421	50	20	DDGD	
CC(=NNC(=O)N=c1cc[nH]cc1)c1cc(C(=O)O)ccc1O	815002145	OAZYFCJIIFTIIE-UHFFFAOYSA-N	314.301	1.453	50	20	DDGD	
C[C@@H]1SCC[C@H]1NC(=O)NNC(=O)c1cccc(N(C)C)c1	827642423	CEVXHMMPVPSDCH-GXFFZTMASA-N	322.434	1.591	50	20	DDGD	
CC(C)c1nccn1CC(=O)NNC(=S)N[C@H](C)C1CC1	824327759	KUMJVBGXQRUYKI-SNVBAGLBSA-N	309.439	1.300	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)CC1=CCCCC1	494539896	QEQHPDREIQJAGM-UHFFFAOYSA-N	311.382	1.549	50	20	DDGD	
C[C@H]1CN(CCNC(=O)/C(C#N)=C\c2ccc(O)cc2)CCO1	490972826	KVMRXAMANDCWLI-OJNRTJSBSA-N	315.373	1.136	50	20	DDGD	
CC[C@H](C(=O)NNC(=S)NCCc1cccs1)N(C)C	820168930	KKKFFCIUELINQG-LLVKDONJSA-N	314.480	1.126	50	20	DDGD	
COC[C@H](NC(=O)NNc1cccnn1)c1cccc(OC)c1	821223322	XSNPNDOQASOFPP-ZDUSSCGKSA-N	317.349	1.499	50	20	DDGD	
COC(=O)c1cccc(/C=C(\C#N)C(=O)N=c2cc[nH]cc2)n1	821043832	KTTNEHHASYRIOV-PKNBQFBNSA-N	308.297	1.231	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1nc2ccccc2n1C	495619723	YCPYFNGKIOULMF-UHFFFAOYSA-N	305.338	1.153	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C[C@@H](c1ccccc1)c1ncc[nH]1	820987038	FGYAKWKJQHQBGM-AWEZNQCLSA-N	312.373	1.879	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1C[C@H]1Cc1ccccc1	826075920	GXXXZDXPEUCOJJ-ATGSNQNLSA-N	317.389	1.373	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H]1CCCN(c2ccccc2)C1=O	496964873	WSZAGNQFSIAAJS-GFCCVEGCSA-N	305.334	1.207	50	20	DDGD	
O=C(COc1ccc(F)c(F)c1)NNC(=O)[C@@H]1CCCCO1	820942037	MQVAZBYPDDLSCU-LBPRGKRZSA-N	314.288	1.060	50	20	DDGD	
C[C@@H](CNCc1ccc(B(O)O)cc1)Oc1ccccc1Cl	585025554	XAGWXRJYBZVWBK-LBPRGKRZSA-N	319.597	1.577	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1	825795323	JZQSFNAMSMGIIC-OLRMPSLUSA-N	321.352	1.437	50	20	DDGD	
C[C@]1(C(=O)NCC(=O)NC2CCCCC2)C[C@H]1Br	906453525	ZMHDKHQTVGFERL-MFKMUULPSA-N	317.227	1.725	50	20	DDGD	
CO[C@H](C)CNC(=O)NNC(=O)CSc1ccc(C)cc1	821723302	VUTIMCKDKUJUSW-LLVKDONJSA-N	311.407	1.452	50	20	DDGD	
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1cccc(OC)n1	495467140	BQVYHPLCIOCWAC-SNVBAGLBSA-N	324.381	1.837	50	20	DDGD	
CC(C)C[C@H]1CCCCCN1C(=O)c1cccc(B(O)O)c1	584951010	PBPGLJQBXKKSDD-MRXNPFEDSA-N	303.211	1.797	50	20	DDGD	
OB(O)c1ccc(CNc2ccccc2OCC2CC2)c(F)c1	585012400	XGARTKURTCKTGI-UHFFFAOYSA-N	315.153	1.906	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccc(F)cc2F)ccc1=O	733363300	XAOVIVXRQFUFRY-UHFFFAOYSA-N	323.299	1.530	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H](C)CNC(=O)OC(C)(C)C	495613244	QAKCXFKFOLKTRF-JTQLQIEISA-N	316.402	1.278	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1ccc(C[S@](C)=O)cc1	490937976	DQLMZOQMUCSTNF-IUAWBRRGSA-N	306.387	1.625	50	20	DDGD	
C[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)[C@@H]2CCCC[C@H]12	584972767	GUGSFLWEIXCJQP-IXPVHAAZSA-N	305.158	1.156	50	20	DDGD	
CCO[C@@H](C)c1ncc(C(=O)Nc2cccc(B(O)O)c2)s1	584911887	ITFAOOYYYXRDSF-VIFPVBQESA-N	320.179	1.173	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNc1nc(-c2ccncc2)no1	732281777	DFKDAQSFCZVKGF-NSHDSACASA-N	302.338	1.059	50	20	DDGD	
C[C@@H]1C[C@@H](CCNC(=O)NNC(=O)OC(C)(C)C)CCO1	495301350	DDAGWASFJDKEBN-MNOVXSKESA-N	301.387	1.931	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=C1C[C@H](C)n2ccnc21	834934565	OIKCRHMQGIKKGP-STQMWFEESA-N	303.410	1.790	50	20	DDGD	
C[C@@H](C(=O)NNc1nc2ccccc2c(=O)n1C)C1CCC1	837417983	HZPRTOZKIIMKSM-SNVBAGLBSA-N	300.362	1.813	50	20	DDGD	
CCCCN(C(=O)c1cccc(B(O)O)c1)C1CCCCC1	584994366	HRLCKDMXYUXXSM-UHFFFAOYSA-N	303.211	1.941	50	20	DDGD	
O=C(CCCn1cccn1)NNc1ccc(Br)nc1	732837165	AHQNDOAORSKMAO-UHFFFAOYSA-N	324.182	1.964	50	20	DDGD	
CN(C)c1ccc2c(c1)NC(=O)C2=NNC(=O)[C@H]1CCCCO1	834986420	NZKUWTJRFXYCFH-CYBMUJFWSA-N	316.361	1.094	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)Cc1ccccc1F)C1CC1	836488592	MDBVNVXYWIPCCV-ZDUSSCGKSA-N	309.341	1.124	50	20	DDGD	
C#CCCCC(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc21	901321218	RCAJECXRCOJNSB-UHFFFAOYSA-N	322.361	1.627	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1c(C2CC2)cnn1C	831707059	USDYUNYQFTWCGT-UHFFFAOYSA-N	314.345	1.841	50	20	DDGD	
O=C(NNC(=O)c1cccc2ncccc12)NC1CCOCC1	730119807	QKAANVKXZSMGNQ-UHFFFAOYSA-N	314.345	1.358	50	20	DDGD	
O=C(NNC(=O)[C@@]1(Cl)C[C@H]2CC[C@H]1O2)Nc1ccccc1	908050445	YKBGYPWOHBUFBA-JTNHKYCSSA-N	309.753	1.768	50	20	DDGD	
CC[C@@H]1CCC[C@H]1CNC(=O)NNC(=O)N=c1cc[nH]cc1	836557276	JSOTYYOPIXATIE-NEPJUHHUSA-N	305.382	1.666	50	20	DDGD	
OB(O)c1cccc(CNc2cccc(COCC3CC3)c2)c1	585011926	HDGMRPWTTHYZHB-UHFFFAOYSA-N	311.190	1.905	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cnn3ccccc23)c1	731988573	BBJKCXODYFETPB-UHFFFAOYSA-N	305.297	1.281	50	20	DDGD	
O=C(N[C@@H]1CCC[C@H]2CCCC[C@@H]21)c1cc(B(O)O)ccc1F	584992295	JLTXXIHRPOGBFF-PVXIVEMSSA-N	319.185	1.594	50	20	DDGD	
COCCN(C)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)C	837627357	WDBMHJBPYXUAGP-LBPRGKRZSA-N	301.431	1.173	50	20	DDGD	
CO[C@@H](CNCc1ccccc1B(O)O)c1ccc(Cl)cc1	585027682	XRYBUVKYSKNNQI-INIZCTEOSA-N	319.597	1.497	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCC[C@H]2C(F)(F)F)c(F)c1	585039645	ADYWUHDKINNDSV-PWSUYJOCSA-N	305.080	1.326	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNc1ccc([N+](=O)[O-])cc1C	839765428	QHRHMSSFHJNQIZ-LLVKDONJSA-N	309.322	1.936	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1Br	839682214	AOXTXUGTLBAPCP-PSASIEDQSA-N	314.139	1.866	50	20	DDGD	
COCCO[C@@H]1CCN(C(=O)[C@]2(C)C[C@H]2Br)C1	907600412	RRJMMZRFNDUWHX-CKYFFXLPSA-N	306.200	1.424	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)c1ccc([N+](=O)[O-])[nH]1	732112901	JFTRNNSOMPDXHC-UHFFFAOYSA-N	314.261	1.730	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@H]1CCCC(=O)N1C	908032538	PGNOJHHLUKCBAY-LLVKDONJSA-N	323.324	1.066	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)COCC2CCCC2)c1	836205212	DPLKWFNHEIORNG-UHFFFAOYSA-N	320.389	1.728	50	20	DDGD	
CC1(C)C[C@@H](CNC(=O)NNc2nc3ccccn3n2)CCO1	838734887	JEWUDMYGMXEAPK-NSHDSACASA-N	318.381	1.561	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@@H]1CCC[C@H](C(=O)O)C1	832977284	HHPIUFBHASWPBD-KGLIPLIRSA-N	318.373	1.576	50	20	DDGD	
CC(C)c1ccccc1NC(=S)NNC(=O)[C@@H]1C[C@@H]1C(=O)O	736523472	RTJJCWZKJCUXPG-MNOVXSKESA-N	321.402	1.848	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2nccc3sccc23)c[nH]1	734248841	YNWDSUOHNXEDBL-UHFFFAOYSA-N	301.331	1.480	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@]1(C)CCCCO1	839459551	NUFUMJXTVRZWKM-QGZVFWFLSA-N	320.389	1.734	50	20	DDGD	
O=C(NC[C@@H]1Cc2ccccc2O1)NNc1ccc(F)cn1	731363721	XIWDHOGAFMCSLJ-LBPRGKRZSA-N	302.309	1.851	50	20	DDGD	
CCC(C)(C)OCC(=O)NNC(=O)COc1ccc(C#N)cc1	837309835	XGNDHFUJCGNYNX-UHFFFAOYSA-N	319.361	1.290	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccc(O)cc2)cc2c1OCO2	916265556	RODRAACHCFNUHF-UHFFFAOYSA-N	314.297	1.893	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H](NC(=O)O)C(C)C)n1	830763656	CCKNLIVNLNSLKG-SECBINFHSA-N	301.734	1.174	50	20	DDGD	
COc1cc(C(=O)NN=Cc2cccn2C)cc(OC)c1OC	916287367	JSHKCMDZRRDUPN-UHFFFAOYSA-N	317.345	1.815	50	20	DDGD	
CCCCN(CC(=O)NNC(=O)C(C)(C)C)CC(F)(F)F	744394171	AQVDFXNSJDUGRD-UHFFFAOYSA-N	311.348	1.844	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1cccc2cccnc12	837376447	LPSNQIMFSXQLIJ-BNOWGMLFSA-N	311.341	1.563	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)CC(F)(F)F)c1ccc(C#N)cc1	918073449	ONNNISNVAZHBQC-MRVPVSSYSA-N	314.267	1.902	50	20	DDGD	
CCC[C@H](CNC(=O)NNc1ccc(-n2ccnc2)nn1)OC	836523495	JVRAGXOSBUPJIE-LLVKDONJSA-N	319.369	1.104	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)[C@]1(Cl)C[C@H]2CC[C@H]1O2	912826659	WTSINQUGYYFUHD-XLDPMVHQSA-N	303.149	1.502	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1ccc(C)s1	917029225	XHYXMDTZNLXFNI-NSHDSACASA-N	309.435	1.865	50	20	DDGD	
C[C@@]1(CNc2nccc(S(C)(=O)=O)n2)C[C@H]1Br	912288774	HBLSARQWLSQFHA-XCBNKYQSSA-N	320.212	1.466	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2C[C@H]2C2CCC2)cc1OC	844280207	WRTTWTPYSGOHKU-QWHCGFSZSA-N	318.373	1.901	50	20	DDGD	
Cc1nc(C2CC2)ccc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843660079	KLYWYWCNQRCQCV-ZWNOBZJWSA-N	303.362	1.453	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCOc1ccccc1F	843977016	SOYTZLMXPWRVOF-QWRGUYRKSA-N	310.325	1.167	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc(C#N)cc2)CS1	840417886	RFYKHWOXJUTOIP-SKDRFNHKSA-N	304.375	1.396	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(N2CCOC2=O)ccc1F	741659793	QIWBRAWSKHTNSW-UHFFFAOYSA-N	311.269	1.173	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@]2(O)CCOC2)cc1C(F)(F)F	840402600	ZXUFKPKZCAMWLE-LBPRGKRZSA-N	315.251	1.172	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ncccn1	740738256	BBXCKHIINJYZGY-UHFFFAOYSA-N	300.362	1.454	50	20	DDGD	
CC(C)CC[C@H]1CCCN1C(=O)NNC(=O)c1ncccn1	841592894	ZJTFZPLMFKOALG-GFCCVEGCSA-N	305.382	1.732	50	20	DDGD	
C[C@@H](Oc1cccc(F)c1)C(=O)NNc1ccnc(N(C)C)n1	740102819	OXQBYHCOLWHPDY-SNVBAGLBSA-N	319.340	1.592	50	20	DDGD	
Cc1ncsc1C=NNC(=O)COc1ccc(C#N)cc1	743425887	ZWJAJTBVQMBZLE-UHFFFAOYSA-N	300.343	1.852	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=Cc1ccc(C(N)=O)cc1	915940854	ITNLCVSQQDQHLL-UHFFFAOYSA-N	321.340	1.506	50	20	DDGD	
Cc1c(C(=O)NNc2ncnc3[nH]cnc23)cnc2ccccc12	748853324	GEWPGLQBGLMECQ-UHFFFAOYSA-N	319.328	1.966	50	20	DDGD	
CC(C)Oc1cccc(CC(=O)NNC(=O)c2ncccn2)c1	841353899	HBEGDCBZCGNYDO-UHFFFAOYSA-N	314.345	1.268	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H]1CCO[C@H]1C)c1cccs1	843276676	GMVZBIWJDWARID-GUBZILKMSA-N	313.448	1.729	50	20	DDGD	
Cc1cc(O)cc2c1C(=O)C(=NNC(=O)c1ccc(O)cc1)O2	915936149	DGUSWFGSQMWFTH-UHFFFAOYSA-N	312.281	1.725	50	20	DDGD	
C[C@H](NC(=O)NNc1ncnc2ccsc12)[C@H]1CCCNC1	841928950	VWMYTKGUNNVLGF-UWVGGRQHSA-N	320.422	1.706	50	20	DDGD	
Cc1ccc(-c2nn(C)cc2C=NNC(=O)[C@@H]2CCO[C@H]2C)o1	842549535	NUDZWZFDYFVSDN-WCQYABFASA-N	316.361	1.864	50	20	DDGD	
COC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)c1ccc[nH]1	746783081	ZZUDITDWTNDORO-CYBMUJFWSA-N	316.361	1.216	50	20	DDGD	
COc1cccc(OC)c1C(=O)NNC(=O)CC(F)(F)F	920213975	VYNYGGGKBHCLJS-UHFFFAOYSA-N	306.240	1.417	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccsc1C(F)F	924250515	MIHJLZYQXPJVBI-LURJTMIESA-N	320.317	1.788	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccc(O)cc1O	920006298	FVIMOZISHZLCOT-UHFFFAOYSA-N	316.313	1.110	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1c(F)ccc(F)c1Cl	857275461	YODQTGUZPJOECU-SECBINFHSA-N	318.707	1.948	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)NCC2(C)CC2)cc1	753024762	QGKVVOZVIRHKQY-UHFFFAOYSA-N	307.350	1.205	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@@H](CCCO)C2)C[C@H]1Br	856961156	WJXJUSAUXDQDPD-NQBHXWOUSA-N	319.243	1.964	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@H]1CCC[C@@H](OC)C1	854285524	MBLUAELXNKADML-NWDGAFQWSA-N	317.455	1.066	50	20	DDGD	
COc1cccc(C2=NO[C@@H](C(=O)NCCCSC#N)C2)c1	854359947	YGOCLFQSQIQZCO-CQSZACIVSA-N	319.386	1.909	50	20	DDGD	
CCNC(=O)CCCC(=O)NC[C@@]1(C)C[C@@H]1Br	857398742	AASDHBDWGNUZBA-JOYOIKCWSA-N	305.216	1.583	50	20	DDGD	
Cc1ccc(Br)cc1CC(=O)NNc1cnnn1C	857270968	VRPDFEZXAHNFGL-UHFFFAOYSA-N	324.182	1.572	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)OCC(F)(F)F)c1	856026670	HCLVWAOBHZGFRA-UHFFFAOYSA-N	305.256	1.686	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)CC[C@H]2CCOC2)c1	751212757	LBFWAVRFPGPJOY-NSHDSACASA-N	322.361	1.282	50	20	DDGD	
Cc1ccc([C@H](C)CNC(=O)NNC(=O)c2cn[nH]c2)cc1	858705403	ZOHAUDLLGSLZMT-LLVKDONJSA-N	301.350	1.466	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1[C@H]2CC[C@H]1CC(=O)NC2	752518170	XUVCTKVYXKHOIZ-CTIWVZMKSA-N	313.332	1.612	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C=NNC(=O)c1ccncc1	853254737	DSQCOFLEUIIEGP-UONOGXRCSA-N	313.361	1.699	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1cc(Cl)cc(Cl)c1	854244165	SINWZWPGFDERBI-UHFFFAOYSA-N	320.176	1.860	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NC[C@]2(C)C[C@@H]2Br)nn1	857390886	IJSWRQUCWFVUSX-CABZTGNLSA-N	315.215	1.936	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NN=c2cc[nH]cc2Cl)C1	857861825	VHYVTWMQMTUZAO-WPRPVWTQSA-N	305.769	1.689	50	20	DDGD	
CCn1ncnc1CNC(=O)NC[C@@]1(C)C[C@@H]1Br	856854643	OHRIRKXLUVATHS-GZMMTYOYSA-N	316.203	1.271	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CCN3CCCC[C@H]23)c1	858191169	VZZIOPNZDLWLFI-VXGBXAGGSA-N	322.434	1.627	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1ccc(-n2cccn2)nc1	757406250	NMYFUKXUHSNYAH-UHFFFAOYSA-N	314.736	1.495	50	20	DDGD	
CCc1csc(SCC(=O)NNC(=O)C(C)(C)C)n1	865387503	YFWOTCQSEALZPV-UHFFFAOYSA-N	301.437	1.991	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1cccc(-c2ccoc2)c1	869907816	FMINWWIMGRRNTE-UHFFFAOYSA-N	318.329	1.371	50	20	DDGD	
CC(C)Cn1[nH]c(CC(=O)NNc2cccc(F)n2)cc1=O	935963231	ZRESSRWAFIAFSF-UHFFFAOYSA-N	307.329	1.052	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NN[C@@H](C)C(F)(F)F	862306038	BHDFCMVQTRGLTE-DKCNOQQISA-N	304.268	1.787	50	20	DDGD	
CCCCNC(=O)NN=Cc1n[nH]c2cc(C(=O)O)ccc12	765572189	NUWQKYVWDIIRSB-UHFFFAOYSA-N	303.322	1.694	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccc(C#N)cc2)ns1	767416453	ZFOFMGZEXQVUER-UHFFFAOYSA-N	316.342	1.163	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc[nH]1	760868462	MYKYIXCJWDRUDM-SECBINFHSA-N	317.305	1.628	50	20	DDGD	
N#CSCCCNC(=O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12	935843080	JOMRJGOYNRAXQJ-NHYWBVRUSA-N	301.371	1.617	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@@H]1CCN(C(N)=O)C1	768125145	NDNJUTLZOKXFAQ-HTQZYQBOSA-N	306.204	1.065	50	20	DDGD	
O=C(CC(F)(F)C(F)(F)F)NNC(=O)N=c1cc[nH]cc1	868118816	ANLUAYQKGWPXOH-UHFFFAOYSA-N	312.198	1.244	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNC(=O)COc1ccccc1CC	863852029	YBIHOIKFVLGOAC-HNNXBMFYSA-N	322.405	1.980	50	20	DDGD	
Cc1[nH]nc2ncc(C(=O)NNCC(F)(F)C(F)(F)F)cc12	863093718	YWOFFAVIVMYXAW-UHFFFAOYSA-N	323.225	1.698	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNc1ccc(OC(F)(F)F)cc1	866872719	BFRHPEHKIJPOBS-LLVKDONJSA-N	319.283	1.943	50	20	DDGD	
O=C(NCC(F)F)C(=O)NNc1ccc(OC(F)F)cc1	768089827	FFJGIRGZHHNZRP-UHFFFAOYSA-N	309.219	1.112	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1ccc(N(C)C(C)=O)cc1	862835394	MSXDWQBHBLHMDU-SDNWHVSQSA-N	301.346	1.729	50	20	DDGD	
Cn1ccnc(NNC(=O)CCc2cncc3ccccc23)c1=O	765858836	IFWBIVOIQYLBEF-UHFFFAOYSA-N	323.356	1.404	50	20	DDGD	
COc1cccc([C@@H](C)C(=O)NNC(=O)Cc2cc(C)[nH]n2)c1	869012412	PVGGTFIENYCQCN-LLVKDONJSA-N	316.361	1.220	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)c1cc(C)no1	761633172	ICGCGFNVXIJWGA-UHFFFAOYSA-N	321.358	1.545	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)c2c[nH]c3ccccc23)CCC1=O	763272907	USXVBWFQVUVIBE-GHMZBOCLSA-N	313.357	1.934	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=Cc1ccc(F)cc1F	763195408	OKRCUEWYVPXAGS-UHFFFAOYSA-N	318.283	1.240	50	20	DDGD	
C[C@H](OCc1ccccc1)C(=O)NNc1nncc(N)c1Cl	1116302454	XCXKXGRXZLGKQL-VIFPVBQESA-N	321.768	1.761	50	20	DDGD	
CC(C)OC[C@H](CO)N(C)S(=O)(=O)CCCCCl	762293654	ADSKSVZPKPZJBP-NSHDSACASA-N	301.836	1.053	50	20	DDGD	
CC(=O)NNC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1	762437743	PRAJQCXUDJBDNQ-UHFFFAOYSA-N	308.725	1.490	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2	870973575	AQVHPEHENZFLGV-BTTYYORXSA-N	324.856	1.999	50	20	DDGD	
COC(=O)NN=Cc1ccc(OCCN2CCOCC2)cc1	872326133	ACPVVJIABNOJSZ-UHFFFAOYSA-N	307.350	1.088	50	20	DDGD	
C[N+](C)(C)CC(=O)NN=Cc1ccc(N2CCCCC2)cc1	1115813146	QDRTYBBSRRMMLG-UHFFFAOYSA-O	303.430	1.833	50	20	DDGD	
C[C@H]1CC(=NNC(=O)Cn2nnc(-c3ccccc3)n2)CCO1	773187062	LXXMRRQBZJEUIG-NSHDSACASA-N	314.349	1.011	50	20	DDGD	
C[C@H](CBr)COC(=O)[C@H](C)N1C(=O)CCC1=O	770345040	NKMVNSRTXLMCFS-SFYZADRCSA-N	306.156	1.098	50	20	DDGD	
CC(C)[C@H](O)C(=O)NNC(=S)Nc1cccc(Cl)c1	873787293	ZQYAAKDQTAFFOP-JTQLQIEISA-N	301.799	1.675	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CCc1ccco1	771875329	RLTPXNZJXRGIAE-LLVKDONJSA-N	310.350	1.337	50	20	DDGD	
O=C(NCc1ccc(OC(F)F)cn1)NNc1ncccn1	775224196	XVWKGBLWJXIBIL-UHFFFAOYSA-N	310.264	1.299	50	20	DDGD	
CC(=O)N1CC(C(=O)NNC(=S)Nc2ccc(C)cc2C)C1	873758930	AZDZICKIAIMMJM-UHFFFAOYSA-N	320.418	1.099	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@@]1(O)CCOC1	873853383	UMIRXJXDDINASU-OAHLLOKOSA-N	323.418	1.026	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1C[C@H]2CC[C@H]1C2	771966049	YDMPHQNAIOVPBO-CYDGBPFRSA-N	310.394	1.548	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2CC[C@@H]3C[C@H](C)CN3C2)n1	1123685278	UGTBZXNDAQNXNU-YNEHKIRRSA-N	304.394	1.654	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cc(C(N)=O)cs1	772861295	UQWYFDDGOBYIRZ-UHFFFAOYSA-N	305.363	1.517	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@]12CCC(=O)N1CCS2	772860849	VQPCTOUJFYXFTB-AWEZNQCLSA-N	321.406	1.109	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)Nc1ccncn1	770763826	FWPOWTQDXMFPQB-UHFFFAOYSA-N	319.346	1.127	50	20	DDGD	
CCCn1nc(C)c(C(=O)O[C@@H](C)C(=O)NNC(=O)CC)c1C	772188601	SFIMBJQLGYCDSP-NSHDSACASA-N	324.381	1.013	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)/C=C/c1ccc(O)c(O)c1	779473169	JRMHWDDYXGTWEY-VQHVLOKHSA-N	312.325	1.881	50	20	DDGD	
CC(C)(C)[C@@H](NC(N)=O)C(=O)NNc1cc(F)ccc1F	885141879	OSIYJLSPHXKXMW-JTQLQIEISA-N	300.309	1.491	50	20	DDGD	
CSC1(C(=O)NNC(=O)CCc2ccccc2O)CCC1	787885362	BGZBXLQYYOMBOI-UHFFFAOYSA-N	308.403	1.758	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)NC[C@H]2C=CCC2)c1	883778532	BQUHKJYCAPCNPJ-NSHDSACASA-N	319.361	1.614	50	20	DDGD	
CCNC(=O)CCCC(=O)NNc1c(F)cc(F)cc1F	885150791	KQNXRQMCGVHFEA-UHFFFAOYSA-N	303.284	1.853	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc(F)c1Cl)c1nnnn1C	1123742571	RJUILDDHPKLRGJ-ZCFIWIBFSA-N	313.724	1.390	50	20	DDGD	
CC(=NNC(=O)c1ccc(-n2cnnn2)cc1)c1coc(C)n1	788976403	XRIXBPQEXAFHSN-UHFFFAOYSA-N	311.305	1.113	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccc(OC)cn2)c(F)c1	781527624	XDRLFZJHKAIDNI-UHFFFAOYSA-N	319.292	1.773	50	20	DDGD	
CN(NC(=O)C(=O)Nc1ccc(F)cc1C#N)c1ccccc1	783432487	YZSBFWOVFQNZOT-UHFFFAOYSA-N	312.304	1.803	50	20	DDGD	
C[C@@H](Oc1ccc(/C=C(\C#N)C(N)=C(C#N)C#N)cc1)C(=O)O	794685670	IQDSSUYKPYHASV-HAAVITCDSA-N	308.297	1.705	50	20	DDGD	
COC(=O)c1csc(C(C)=NNC(=O)c2cnccn2)c1	794887708	IGIMFJKBWXGMII-UHFFFAOYSA-N	304.331	1.479	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)Cc1n[nH]c2ccccc12	899992205	RCAAHPNVLJXJQK-UHFFFAOYSA-N	305.407	1.399	50	20	DDGD	
CC(C)c1ncc(NC(=O)C(=O)NNc2cccc(C#N)c2)cn1	797020443	MULHXQJHEUWYPZ-UHFFFAOYSA-N	324.344	1.553	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)Cc2ccc3c[nH]nc3c2)n1	793799556	IZKRJWKJAVYHLH-UHFFFAOYSA-N	317.740	1.274	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccnc1)c1ccc2c(c1)OCO2	794198440	GBNMSNLZPILART-JTQLQIEISA-N	313.313	1.375	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2ccc(O)c([N+](=O)[O-])c2)n1	794564754	AFMOWRIASFJPBM-UHFFFAOYSA-N	300.274	1.768	50	20	DDGD	
CS(=O)(=O)c1ccc(/C=C(\C#N)C(=O)[C@@H]2CCCOC2)cc1	794885563	YPGDWNDEHGRCDQ-OZYJXZHSSA-N	319.382	1.993	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc2ccccc2c(OC)n1	798306688	RICAZOAUSKTZLJ-UHFFFAOYSA-N	316.386	1.538	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cc(F)c(O)c(F)c1	798315347	SNJWSPXDHGSLOC-UHFFFAOYSA-N	313.182	1.177	50	20	DDGD	
COc1cc(C(C)=NNC(=O)N2CCN(C)CC2)ccc1O	790181578	NRYFDQCFWWABNH-UHFFFAOYSA-N	306.366	1.082	50	20	DDGD	
COC(=O)Cn1cccc1C=NNC(=O)c1cccc(C)n1	794572685	ZBTKABQTDBRTQF-UHFFFAOYSA-N	300.318	1.128	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccccc1	796359740	XLGIKFAIOAGJHP-JTQLQIEISA-N	317.305	1.273	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnc2c(F)cccc2c1	794199660	IOVIGWSNKLHBMM-UHFFFAOYSA-N	304.350	1.669	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@H](O)c1cccnc1	791066355	GCVVILJIOOQQED-GFCCVEGCSA-N	306.253	1.306	50	20	DDGD	
CCCN(C)CC(=O)NNc1cncc(Br)c1	1319530450	WXBVJHGCFYMQIQ-UHFFFAOYSA-N	301.188	1.629	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cnn(C2CCCCC2)c1	1318478581	KNLWOABPXWUURL-UHFFFAOYSA-N	323.397	1.369	50	20	DDGD	
COc1ccc2oc(C=NNC(=O)C[n+]3ccccc3)cc2c1	1322446284	QYMOSTUALIZKPA-UHFFFAOYSA-O	310.333	1.879	50	20	DDGD	
CC(C)CCNC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1329505223	AQJZSPFWAUPWCJ-JOYOIKCWSA-N	305.216	1.438	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)Nc2ccccc2)C[C@H]1Br	1329510170	HKJFXOJDRKVORL-ZWNOBZJWSA-N	311.179	1.915	50	20	DDGD	
CO[C@@H]1CCC[C@H](CC(=O)NNc2nncc(N)c2Cl)C1	1321075528	YVIQOJHIURRDNZ-DTWKUNHWSA-N	313.789	1.751	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1	1339817532	IWBLLDLWBGZRTF-GFCCVEGCSA-N	323.324	1.170	50	20	DDGD	
COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NNc2ccn(C)n2)c1	1331514728	WUXJKLVDKMZAQE-YPMHNXCESA-N	316.361	1.684	50	20	DDGD	
CO[C@@H]1CCCC[C@H]1NC(=O)NNc1nncc(N)c1Cl	1332746656	YVVLTLZVNJXKGK-RKDXNWHRSA-N	314.777	1.296	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1NC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1331086070	QMMBPODKQYSUJZ-MPXOCVNLSA-N	317.227	1.437	50	20	DDGD	
COc1ccc(C=NNC(=O)CCN2CCC(C)CC2)cn1	1338498186	HMGWNMGNZASBHM-UHFFFAOYSA-N	304.394	1.662	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)Cn2cc(C3CC3)cn2)nn1	1334721804	RPMQXZJEICHUOV-UHFFFAOYSA-N	314.393	1.991	50	20	DDGD	
COC(=O)N(C)NC(=O)CC[C@@H]1[C@H](C)Nc2ccnn2[C@H]1C	1348622120	FXPQHOKJTMYJQI-GARJFASQSA-N	309.370	1.384	50	20	DDGD	
CC(=O)N1CCC(=NNC(=O)C2CCOCC2)c2ccccc21	1349838655	JADBPEHKFACBJY-UHFFFAOYSA-N	315.373	1.690	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)Cc2ccc(Cl)cc2)on1	1343877430	CEIPASQLFFDTCK-UHFFFAOYSA-N	321.720	1.807	50	20	DDGD	
N#CC1(CNC(=O)NNC(=O)c2ccccc2Cl)CCC1	1345185142	KGWZSSZHEWLHSO-UHFFFAOYSA-N	306.753	1.978	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NNc1nc(-c2cccnc2)no1	1353615738	AGFLGSNEUHOSRG-NSHDSACASA-N	316.365	1.448	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1ccc(Cl)c2cccnc12	1602072171	UMQBCYKSSULRSU-UHFFFAOYSA-N	306.709	1.606	50	20	DDGD	
COc1ccccc1C(=O)NN=Cc1ccc(C(=O)O)n1C	1607336784	QLKDHPPQERMHGA-UHFFFAOYSA-N	301.302	1.496	50	20	DDGD	
O=C(CNc1ccccc1F)NN=C1C[C@H]2C[C@@H](C(=O)O)[C@H]1C2	1608342971	MTSALQFKLOGAPA-GMTAPVOTSA-N	319.336	1.841	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NC[C@H](CC(=O)O)C1CC1	1601046606	XGBFQFBLJFNCRB-GUNGLEHYSA-N	314.341	1.916	50	20	DDGD	
C[C@H](CC(=O)NNc1ccc(C(=O)O)c(F)c1)c1cnn(C)c1	1604067897	GGMXAKHWJXOXMH-SECBINFHSA-N	320.324	1.894	50	20	DDGD	
CC(C)OCCCNC(=O)NNc1cccc(C(=O)O)c1F	1603923962	ZYYKTILSOQFERJ-UHFFFAOYSA-N	313.329	1.965	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)O)CC2(CCC2)C1)c1cccc(F)n1	1601553296	BDDGUNLSURPUCP-UHFFFAOYSA-N	321.308	1.017	50	20	DDGD	
C=C(CBr)COC(=O)c1ccc(C(=O)O)n1C	1602772331	TZLZOPFKRCRJLY-UHFFFAOYSA-N	302.124	1.831	50	20	DDGD	
C[C@@H]1COCC[C@H]1NC(=O)NNc1ccc(CC(=O)O)cc1	1604818844	LNRGUQPIRJZFNY-ZWNOBZJWSA-N	307.350	1.365	50	20	DDGD	
CCC[C@H](CNC(=O)NNc1ccc(CC(=O)O)cc1)OC	1605213797	ADJJTWYVTPGIAQ-CYBMUJFWSA-N	309.366	1.755	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)cc1	1549313325	FETGJTWGWMNPMY-GDBMZVCRSA-N	317.389	1.399	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1cc(C(=O)O)n(C)c1	1610033093	IRBMWHDIAOBTIN-KPKJPENVSA-N	305.334	1.173	50	20	DDGD	
CC(Cc1ccsc1)=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549317394	KYSVYVHONPAWRK-UONOGXRCSA-N	307.419	1.646	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccnn1C)C(F)(F)F	1549320588	ORMFTDXEQBNIOC-KOLCDFICSA-N	318.299	1.942	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc(C(=O)O)ccc1Cl	1610549325	FONPUZNYPBPPNW-UHFFFAOYSA-N	322.708	1.145	50	20	DDGD	
Cc1occc1C=NNC(=O)[C@H]1CCCO[C@H]1c1nccn1C	1549315885	MWNZCYRBLZUBSP-UONOGXRCSA-N	316.361	1.940	50	20	DDGD	
CC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCOC)C2	1800070919	YSVKIYGNAOODSS-RNJOBUHISA-N	316.829	1.679	50	20	DDGD	
C#CC(=O)NC[C@@H]1CCN(C(=O)[C@H](F)Cl)[C@@H]1c1cccnc1	1812527941	YOOIRYMCGDUEGG-YUTCNCBUSA-N	323.755	1.255	50	20	DDGD	
CC(C)(CN)CC(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	1575315606	SRZUIFRNPKLRNU-UHFFFAOYSA-N	315.377	1.213	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2C[C@@H](F)CN2)cc1C	1574157029	ZUWXQIVRQWUEDI-ZYHUDNBSSA-N	310.398	1.321	50	20	DDGD	
O=C(CC1(O)CCNCC1)NNc1ccc(Cl)cc1F	1580501747	YOWSDPREXOHOSM-UHFFFAOYSA-N	301.749	1.427	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cccn2C)C1	1842363491	FEWJJELIJSMAOG-LBPRGKRZSA-N	323.824	1.860	50	20	DDGD	
O=C(Cc1ccccc1C(=O)O)NNC(=O)OCC(F)(F)F	1594709989	UQNGQRQLJIAEJQ-UHFFFAOYSA-N	320.223	1.247	50	20	DDGD	
Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNc1ccc(Cl)nc1	1591784502	RCZPPDXCOGKYRU-UHFFFAOYSA-N	318.728	1.309	50	20	DDGD	
O=C(/C=C/C1CC1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](F)Cl	1847584541	QBZNFIZHUWSDQZ-ZMPLOIDOSA-N	300.761	1.689	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@](C)(OC)C(=O)O)cc1C	1591176483	QRVCDZUPYBYWJM-HNNXBMFYSA-N	324.333	1.105	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C(=O)O)[C@@H]1CCC[C@H](OC)C1	1596864291	UTONJVUHZWSXIM-YKUNQLLSSA-N	310.350	1.205	50	20	DDGD	
CC(Cc1nc2ccccc2s1)=NNC(=O)NCC(=O)O	1592912465	HWLLTAWRQGOLOQ-UHFFFAOYSA-N	306.347	1.599	50	20	DDGD	
CCCCC[C@H](C)NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1590588803	NLUDDEUELKRBPO-JTQLQIEISA-N	318.385	1.857	50	20	DDGD	
COc1cnc(C(=O)NNc2cccc(F)c2C(=O)O)nc1	1599723343	KALLDRSMKMSMMX-UHFFFAOYSA-N	306.253	1.079	50	20	DDGD	
CSSCCNC(=O)c1ccc(OCC(=O)O)cc1	1594189142	RNMTXEPJTIIZJK-UHFFFAOYSA-N	301.389	1.891	50	20	DDGD	
Cc1ccncc1CC(=O)NNc1cccc(-c2nn[nH]n2)c1	1592278900	MWDVSVDPQDSOOY-UHFFFAOYSA-N	309.333	1.256	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNc1cccc(-c2nn[nH]n2)c1	1591372478	IMPQUWXIKLHLGK-UWVGGRQHSA-N	304.354	1.228	50	20	DDGD	
NC(=O)NN=Cc1cccc(O[C@H](C(=O)O)c2ccccc2)c1	1776033037	QXQUINAJGUFPAX-AWEZNQCLSA-N	313.313	1.894	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=Cc2cccc(O)c2O)c1	1776094633	DDYQZKMDPHDLLF-UHFFFAOYSA-N	300.270	1.560	50	20	DDGD	
CC(C)(C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Cl)C2	1792705377	ACSGYONHOHICET-VLEAKVRGSA-N	315.776	1.709	50	20	DDGD	
CC[C@H](NC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Cl)C2	1796178079	DVTPPTBNGXKEJM-OSUNSFLBSA-N	319.808	1.157	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=S)NC(C)(C)C)cc1C	14894783	WGPFQEYDUQVUTC-UHFFFAOYSA-N	309.435	1.976	50	20	DDGD	
CC(C)[C@@H](NC1CCOCC1)C(=O)NNC(=O)c1ccccc1	157054380	NNYCOPDRPICBDU-OAHLLOKOSA-N	319.405	1.241	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)Nc2cc(F)cc(F)c2)n1	156256625	UPBWVNDLTWMAGQ-UHFFFAOYSA-N	321.287	1.453	50	20	DDGD	
CC(=O)N(C)c1ccc(CNS(=O)(=O)CCCCl)cc1	882441786	BSZKJGGSJCKUCC-UHFFFAOYSA-N	318.826	1.718	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NC[C@]1(C)C[C@@H]1Br	856951513	XKQOCRJFFRLYHS-CPCISQLKSA-N	322.203	1.899	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)Cc1ccccc1F	6208510	QSLHFAIXRGIERB-UHFFFAOYSA-N	320.295	1.734	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1cccnc1)c1ccc(C#N)cc1	103513037	HSONNCVYKLJSIN-LBPRGKRZSA-N	323.356	1.587	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)COc2ccc(F)cc2)cc1	8250327	VFUMPTLMYUVOOO-UHFFFAOYSA-N	316.332	1.903	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cnn(-c2ccc(F)cc2)c1	170838478	OYXVGKOPZWDRFQ-MDWZMJQESA-N	314.320	1.681	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cn2ccc3ccccc32)c(=O)[nH]1	104632118	NUDDDUDHDSOERX-UHFFFAOYSA-N	324.340	1.099	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H](C)c1ccc(Cl)s1	175830969	JYSHTRFEAPPMTH-MRVPVSSYSA-N	319.814	1.872	50	20	DDGD	
C[S@](=O)c1ccc(C(=O)NNc2nccnc2Cl)cc1	173614650	WVEOXFNLILYGGK-FQEVSTJZSA-N	310.766	1.624	50	20	DDGD	
CCC1(C(=O)NNc2nc3ccccc3c(=O)n2C)CCC1	176074570	VFLRCRMKOHQCHE-UHFFFAOYSA-N	300.362	1.957	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@H](c1cccnc1)C(C)C	175893730	PHJJBKIDLHHYSY-ZDUSSCGKSA-N	308.382	1.188	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)NCc2ccco2)cc1F	65177117	XPNMRVTXTKMLAB-UHFFFAOYSA-N	321.308	1.500	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccccc1)N1CCc2ccccc2C1	28891899	UZNKLEGYDQHIRI-AWEZNQCLSA-N	323.396	1.894	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2CCC[C@@H](C)CC2)n1	68830377	KSZNZNIPHZVQGQ-LLVKDONJSA-N	324.450	1.263	50	20	DDGD	
O=C(Cn1cc([N+](=O)[O-])cn1)NNc1ccc(Cl)c(F)c1	175404194	ZUUWHYGEYPPQFM-UHFFFAOYSA-N	313.676	1.727	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)Nc2ccc(F)cn2)c1	123161715	DSUVGUBQOWUJDZ-UHFFFAOYSA-N	317.324	1.753	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cccc3cccnc23)n(C)n1	64623518	QFOSYUODHOTHCA-UHFFFAOYSA-N	324.344	1.743	50	20	DDGD	
CC[C@H](C)[C@H](C)NCC(=O)NNC(=O)Cc1ccccc1C	183073425	JUMKMOOFFMCPHR-JSGCOSHPSA-N	305.422	1.709	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2cc3ccccc3[nH]2)n1	125254582	GUECTFJUTOKVNR-UHFFFAOYSA-N	312.333	1.793	50	20	DDGD	
COC[C@H](NC(=O)NNc1nc2ccccn2n1)c1ccco1	189420039	BQHXBYPUMUGQSS-JTQLQIEISA-N	316.321	1.336	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@@H](c2ccn[nH]2)C1)c1ccccc1	180749881	QJAUCVGCGZNEPM-CYBMUJFWSA-N	313.361	1.644	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@@H]1CCCN1C1CCOCC1	182481328	DNEFKQSDJIYYJO-ZDUSSCGKSA-N	308.357	1.307	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NCCc2ccccc2)n1	31026631	KAEHYZARUPPPPS-UHFFFAOYSA-N	315.377	1.073	50	20	DDGD	
O=C(NCC1(c2ccc(F)cc2)CC1)NNC(=O)c1ccc[nH]1	122386063	WTOSJTUAUDGQOZ-UHFFFAOYSA-N	316.336	1.830	50	20	DDGD	
Cc1cccc(C)c1NC(=O)C(=O)NNC(=O)CC1CCCC1	125903322	FZILJZIIPVBQAO-UHFFFAOYSA-N	317.389	1.970	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1csnn1	128645696	RVPXBEOFLVQAKG-UHFFFAOYSA-N	314.330	1.003	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CC2CCCC2)cc1C(N)=O	184805391	XNPWZCMAPDWRNC-UHFFFAOYSA-N	318.377	1.827	50	20	DDGD	
O=C(NNC(=O)c1c[nH]nc1-c1ccsc1)c1ccc[nH]1	187271980	LSEOGPJXBNHVRX-UHFFFAOYSA-N	301.331	1.541	50	20	DDGD	
C=C(C)COCCNC(=O)NNC(=O)Nc1ccccc1C	135024305	BNCCCPDSYMBPEH-UHFFFAOYSA-N	306.366	1.923	50	20	DDGD	
CCCCC[C@@H](C(=O)NNC(=O)C(=O)N1CCCC1)C(C)C	130777314	MANQFSQSPPVBIH-CYBMUJFWSA-N	311.426	1.609	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)c1ccc(C)o1	186057249	FTSFYYPTNXOEFO-UHFFFAOYSA-N	324.358	1.757	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccc(-n3ccnn3)cc2)cc1	89866106	ZRLZFMKQIMIWJC-UHFFFAOYSA-N	304.313	1.896	50	20	DDGD	
O=C(COc1ccccc1F)NNc1nc2ccccn2n1	191919276	YPTGGUJZWDUUJT-UHFFFAOYSA-N	301.281	1.391	50	20	DDGD	
N#CCOc1cccc(CC(=O)NNc2ccc(Cl)nn2)c1	89829890	XYSYYXUZADERGT-UHFFFAOYSA-N	317.736	1.718	50	20	DDGD	
Cc1cccc(C)c1OCCC(=O)NNC(=O)[C@@H]1CCCO1	42968881	TXKWUHLKTPTBLJ-ZDUSSCGKSA-N	306.362	1.399	50	20	DDGD	
CC(C)n1cc(C(=O)NNc2nc3ccccc3c(=O)[nH]2)cn1	190559765	WZKKGQXGCMCVGG-UHFFFAOYSA-N	312.333	1.457	50	20	DDGD	
CCN(C(C)=O)c1nc(/C=C(\C#N)C(=O)NC(C)C)cs1	198896251	HQRZLEURWYTQFX-IZZDOVSWSA-N	306.391	1.947	50	20	DDGD	
Cn1cc(CCC(=O)NNC(=O)c2cccc(Cl)c2)cn1	193576708	NXQHVNHTMOHHEP-UHFFFAOYSA-N	306.753	1.467	50	20	DDGD	
CN(CCNC(=O)NNC(=O)c1ccc[nH]1)Cc1ccccc1	193857983	MEAPSEJFXXQOGS-UHFFFAOYSA-N	315.377	1.091	50	20	DDGD	
NC(=O)C(=O)NN=C1C[C@@H](c2ccccc2)Oc2ccccc21	252452723	YEJCWWZFLQXQRC-HNNXBMFYSA-N	309.325	1.516	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H](C)[C@H]2CCOC2)cccc1[N+](=O)[O-]	266729883	CQZGXTKNOCXRSC-QWRGUYRKSA-N	308.338	1.954	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc2c(c1)OCCO2)C1CC1	263889939	MSLJSRGJJADWQW-VIFPVBQESA-N	321.402	1.365	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)N1CCCc2ccc(F)cc21	274100896	WTMRVROHKJAQFR-UHFFFAOYSA-N	319.336	1.052	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCNC(=O)OC(C)(C)C	276701610	NQCJNHVJIYPEJW-UHFFFAOYSA-N	309.370	1.541	50	20	DDGD	
NC(=O)NC1(C(=O)NNc2ccccc2Br)CC1	271095994	WHLOUKJJXFHSGX-UHFFFAOYSA-N	313.155	1.093	50	20	DDGD	
CC[C@@H](C)NC(=O)c1ccc(NC(=O)NNC(=O)C2CC2)cc1	273180123	GUVZNQIAYPZKCJ-SNVBAGLBSA-N	318.377	1.778	50	20	DDGD	
NC(=O)NC1(C(=O)NNc2ccc(C(F)(F)F)cc2)CC1	270993340	DONGIRNEZKVWNI-UHFFFAOYSA-N	302.256	1.349	50	20	DDGD	
CCc1[nH]c(C(=O)N2CC=C(C#N)CC2)c(C)c1C(=O)OC	271098218	JMWASPZUZOWPLQ-UHFFFAOYSA-N	301.346	1.968	50	20	DDGD	
C[C@@H]1CCC[C@@H]1NCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	281967360	GQQYNOSVSHLAPY-MFKMUULPSA-N	320.349	1.134	50	20	DDGD	
O=C(NC[C@H]1CCCCN1C1CC1)NNc1cccc(F)n1	288511254	BWHUSECPNZQRTF-GFCCVEGCSA-N	307.373	1.864	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@@H]2CCOC[C@H]2C)n1	288596254	HSDZITOMIBOCNZ-PWSUYJOCSA-N	306.366	1.007	50	20	DDGD	
O=C(CC1(N2CCOCC2)CCCC1)NNc1ncccc1F	286055232	RTUVLVRFXCFVTC-UHFFFAOYSA-N	322.384	1.699	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)cc1	289315941	FNUDHINZSYRLKO-SOUVJXGZSA-N	318.373	1.062	50	20	DDGD	
O=C(NC[C@H]1CCCCN1C1CC1)NNc1ncccc1F	288540935	DLMWQVALNDSMQC-GFCCVEGCSA-N	307.373	1.864	50	20	DDGD	
CC1=C(C(=O)NNc2ccnc(F)c2)[C@@H](C)n2ncnc2N1C	282453086	SUWKLGNVLXGBOP-SECBINFHSA-N	317.328	1.240	50	20	DDGD	
CCOCc1ccccc1CNC(=O)NNc1ncncc1F	292335901	CPEPRBRCDGCVSI-UHFFFAOYSA-N	319.340	1.979	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2)CCC1(F)F	290005377	ZKGAFBQQHOROFF-LLVKDONJSA-N	311.332	1.425	50	20	DDGD	
C=CCOc1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)cc1	802033272	QISGIPROXYHWIM-UHFFFAOYSA-N	312.329	1.535	50	20	DDGD	
C[C@H](NC1CC1)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	295338777	ZZDFEJZTIMGRHB-QMMMGPOBSA-N	321.768	1.974	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cccc3nc(C)[nH]c23)n1	801971893	CKQJHXXALAVDKG-UHFFFAOYSA-N	309.329	1.650	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=Cc1cc(F)ncc1F	807967660	GIUXWTKPAWEJQP-UHFFFAOYSA-N	324.312	1.301	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CC2OCCO2)c(Cl)c1	802049983	WRXLZUYAVHLSKS-UHFFFAOYSA-N	313.741	1.564	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@H]2C[C@@H]2OCC)cc1OC	298679337	SMISOPPXEJWDPZ-AAEUAGOBSA-N	322.361	1.280	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1c[nH]c(C(F)(F)F)c1	807972994	YJPBXXDWSAULOK-UHFFFAOYSA-N	318.299	1.788	50	20	DDGD	
Cc1ccc2oc(C(=O)NNC(=O)N3CCOCC3)cc2c1	299373792	LSEXPNKRMNYLSE-UHFFFAOYSA-N	303.318	1.428	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccnc(NC(=O)C2CC2)c1	802913977	QXJSITBBWMACEK-UHFFFAOYSA-N	316.296	1.116	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2ccc3c(c2)CCC=C3)CC1	807380316	GCQFVQRURJWKNW-UHFFFAOYSA-N	314.389	1.248	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NN=c2cc[nH]c3ccccc23)C1	802527860	MPTLVLKHBBJBEV-GFCCVEGCSA-N	312.373	1.358	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H]1CCCCN1Cc1ccccc1	294071056	HDFPYIBUTBOHSG-MRXNPFEDSA-N	315.417	1.989	50	20	DDGD	
CC(C)NC(=O)Nc1ccc(C(=O)NNc2cnnn2C)cc1	816770702	IQLXPDJOLBPMQX-UHFFFAOYSA-N	317.353	1.102	50	20	DDGD	
O=C(NNc1ncncc1F)c1cc2c(cc1[N+](=O)[O-])OCO2	817081028	NPHTUAXUSXNRPM-UHFFFAOYSA-N	321.224	1.010	50	20	DDGD	
COCC(=O)NN=Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-]	811644924	QFISXZZJMIXEKX-UHFFFAOYSA-N	306.105	1.998	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCC(C)(C)C(=O)O)cc1	818625230	WICMJXQEKIUEGJ-UHFFFAOYSA-N	321.377	1.694	50	20	DDGD	
C[C@H](CBr)COC(=O)[C@@H]1CCc2nnn(C)c2C1	811345160	ODAUCWCZUSWUFD-RKDXNWHRSA-N	316.199	1.494	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)C(=O)N2CCCC2)c(Cl)c1	819808141	ZUYRRNFXBREDCM-UHFFFAOYSA-N	323.780	1.811	50	20	DDGD	
Cc1cccc(NNC(=O)c2cn(C3CCOCC3)nn2)c1	810044104	MKMZCUXBUYCDEX-UHFFFAOYSA-N	301.350	1.695	50	20	DDGD	
C/C(=C\c1ccc(Cl)cc1)C(=O)NNc1nccn(C)c1=O	810468593	BRIZZGYPIFTUSL-MDZDMXLPSA-N	318.764	1.980	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CC[C@@H](CC(=O)O)[C@@H]1C	814864732	HXKVXTWPKLRCHP-AXFHLTTASA-N	300.355	1.031	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)COc2ccc(C#N)cc2)CC1(F)F	817514279	YXKZNAACPXJNIY-ZDUSSCGKSA-N	309.272	1.130	50	20	DDGD	
CC(=NNC(=O)C(C)(C)c1ccccc1)c1cc(CO)on1	812225843	PWZOIGAXJACNHJ-UHFFFAOYSA-N	301.346	1.985	50	20	DDGD	
Cn1nncc1NNC(=O)[C@H](OC1CCCC1)c1ccccc1	816769556	NOWMQESXIIILEL-OAHLLOKOSA-N	315.377	1.959	50	20	DDGD	
COc1ccccc1SCC(=O)NN=Cc1ccn(C)n1	814889786	SGQQVPFAZJKOFO-UHFFFAOYSA-N	304.375	1.671	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](O)c2ccc(Cl)cc2)nc1	813528257	BLPVWCWKMQWBGS-CYBMUJFWSA-N	307.737	1.920	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C2(C#N)CCCC2)c1	727057027	LVGOWTLGUPWLJX-UHFFFAOYSA-N	317.345	1.549	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCN2CC(F)(F)C[C@H]2C1	827733136	YZTCETAPDBFIOW-JTQLQIEISA-N	316.801	1.360	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCc2ccc(C(C)(C)O)cc2)cn1	491163622	XFGOWANLXVRHQZ-NVNXTCNLSA-N	324.384	1.871	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@]1(c2ccccc2)CC1(C)C	823815330	FOTXBHVAKOIHPH-QGZVFWFLSA-N	319.405	1.721	50	20	DDGD	
CCCC[C@H]1CCCC1=NNC(=O)[C@H]1CCS(=O)(=O)C1	727255328	HWTIJLFTFSEXGM-RYUDHWBXSA-N	300.424	1.884	50	20	DDGD	
Cc1nc(CCC(=O)NN(C)[C@H](C)CO)oc1-c1ccccc1	823959541	KWJNTCVBPYBFCR-GFCCVEGCSA-N	317.389	1.926	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@H](Cc2ccccc2)[C@H]1C	827962964	AEPQKAOMKWAXPG-GDBMZVCRSA-N	317.433	1.743	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1	496971868	CJQBLWQSVHCLCK-UHFFFAOYSA-N	311.294	1.773	50	20	DDGD	
COc1nccc(C(=O)NC[C@]2(C)C[C@@H]2Br)n1	826859108	PAQUXGCKPMBEPO-KWQFWETISA-N	300.156	1.389	50	20	DDGD	
CC(C)O[C@@H](C(=O)NNc1nccn(C)c1=O)c1ccccc1	826620570	QEKKLZZJDCVJCD-CYBMUJFWSA-N	316.361	1.390	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)Nc2cccn(C)c2=O)cc(C#N)n1C	490663938	MMTXSPPXLBPVGE-NTUHNPAUSA-N	321.340	1.450	50	20	DDGD	
C[C@H]1CC2(CCOCC2)CN1C(=O)NNC(=O)c1ccccc1	825582640	CDNIVMVQIOWANY-ZDUSSCGKSA-N	317.389	1.932	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC[C@@H]1c1ccc(F)cc1	827322860	BDCZMLIMGGUITH-CQSZACIVSA-N	307.369	1.766	50	20	DDGD	
CCCCS(=O)(=O)CC(=O)NNC(=O)c1cc(C)cs1	827020976	KXWXIOWRYUOGFI-UHFFFAOYSA-N	318.420	1.032	50	20	DDGD	
CC(C)NC(=O)[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(F)cc1	490968518	BUUFORABILSXRZ-JYVXZMADSA-N	303.337	1.762	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)NCC2=CCCC2)cc1	823099088	SNHFZXXVXNFMNQ-UHFFFAOYSA-N	314.345	1.378	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1cnc(C2CC2)s1	729513522	VYACBRPCGLZUHD-UHFFFAOYSA-N	316.386	1.894	50	20	DDGD	
CC(=NNC(=O)NCCNC(=O)OC(C)(C)C)[C@@H]1CCOC1	491986218	BRNOSBXHTGSSTQ-LLVKDONJSA-N	314.386	1.223	50	20	DDGD	
CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cc(B(O)O)ccc2F)C1	584942189	JQQAIPPGHWXZKH-DGCLKSJQSA-N	307.174	1.450	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc2c(c1)nc(O)n2C1CC1	823950739	KWHTXUPYWBUMPY-UHFFFAOYSA-N	317.349	1.431	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCC(=O)Nc1cccnc1	491136417	VNNQSGQLCPTZII-JYRVWZFOSA-N	322.324	1.449	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(C)n(-c2ccc(F)cc2)n1	823874573	UXQPRRKUXXWJKI-UHFFFAOYSA-N	306.341	1.279	50	20	DDGD	
Cc1ccc(C)c([C@H]2CCCN2C(=O)c2cccc(B(O)O)c2)c1	584959987	NGYNUIPKKIXCBI-GOSISDBHSA-N	323.201	1.961	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNC(=O)c2ccccn2)cc1O	492531468	JBIWUOZUEBQCHA-VURMDHGXSA-N	313.313	1.270	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2CCOc3ccc(F)cc32)n1	731557595	SJTWMLRCOVEOAK-UHFFFAOYSA-N	316.336	1.942	50	20	DDGD	
Cn1c(=NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)sc2ccccc21	733755018	QGCNRGLPHNVONQ-JFGNBEQYSA-N	303.387	1.739	50	20	DDGD	
CC(=O)NCC1CCN(C(=O)[C@@]2(C)C[C@@H]2Br)CC1	906396003	GJXGSZICJGKCOO-AAEUAGOBSA-N	317.227	1.535	50	20	DDGD	
CC(C)(C)[C@H](NC(=O)c1cc(B(O)O)ccc1F)C(F)(F)F	584954279	DKCQBQBMGAHCSC-NSHDSACASA-N	321.079	1.212	50	20	DDGD	
C=C(CI)n1cc(C[C@](C)(O)CC)nn1	900641388	RGWPKWAZKXQJHF-SNVBAGLBSA-N	321.162	1.887	50	20	DDGD	
CC(C)(C)OC(=O)NCC(C)(C)C(=O)NNC(=O)NC1CC1	493242553	BDGUARAXYYQPIM-UHFFFAOYSA-N	314.386	1.030	50	20	DDGD	
C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)NCB(O)O	585061830	IXALLWFQUAICSR-CYBMUJFWSA-N	313.162	1.173	50	20	DDGD	
CC(C)C(=O)/C(C#N)=C/c1cnc2ccc(-c3nn[nH]n3)cn12	735685001	XSAOEKKMPNDBNE-VZUCSPMQSA-N	307.317	1.646	50	20	DDGD	
CCS[C@@H]1CCCCN([C@H](C)C(=O)NNC(=O)CC)C1	732569259	HCFPEGRFBRLPHH-VXGBXAGGSA-N	301.456	1.540	50	20	DDGD	
O=S(=O)(NCB(O)O)c1cccc(Sc2ccccc2)c1	585057137	MZJHIJHQRFPOTQ-UHFFFAOYSA-N	323.204	1.128	50	20	DDGD	
CN1C(=O)CC[C@H]1CC(=O)NNc1cc(F)c(F)c(F)c1	830830738	ASTALPBKBAHUET-QMMMGPOBSA-N	301.268	1.558	50	20	DDGD	
CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)NNC(=O)C1CCC1	735687660	QRMRRFJSCILOFU-OLZOCXBDSA-N	311.426	1.958	50	20	DDGD	
O=C(NNS(=O)(=O)C[C@H]1CCCO1)c1cccc(Cl)c1	735646510	RSGHLDZKJHEEQY-LLVKDONJSA-N	318.782	1.083	50	20	DDGD	
Cc1cc([C@@H](C)NC(=O)c2ccc(B(O)O)cc2)c(C)s1	584931377	RVCCJVDRICSOMX-SNVBAGLBSA-N	303.192	1.536	50	20	DDGD	
O=C(O)NCCCC(=O)NNC(=O)CCCc1ccccc1	739957284	PQLQXUZJTMYVFI-UHFFFAOYSA-N	307.350	1.205	50	20	DDGD	
O=C(O)c1cc(C=NNC(=O)[C@@H]2CCOC2)sc1Cl	901232765	DTHDATWXUFIJOB-ZCFIWIBFSA-N	302.739	1.586	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1cc(F)c(F)c(F)c1	730432926	BKWBDVCBBOZNRW-UHFFFAOYSA-N	313.279	1.567	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2C[C@H]3CCCCN3C2=O)nc1	836692420	WGNJUBYWBACPKI-NEPJUHHUSA-N	303.366	1.170	50	20	DDGD	
O=S(=O)(CCl)NCCOc1ccc(C(F)(F)F)cn1	830863721	ASXVUFLMEFKQBR-UHFFFAOYSA-N	318.704	1.595	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1cc2cc(F)ccc2o1	831125799	LLBWALHUJUJBFU-UHFFFAOYSA-N	315.326	1.427	50	20	DDGD	
CC(C)CC[C@H]1CCC(=NNC(=O)[C@H](C)NS(C)(=O)=O)C1	834955907	JKOSUCROJAUXRY-RYUDHWBXSA-N	317.455	1.633	50	20	DDGD	
CC[C@@H](Nc1ccccc1)C(=O)NNC(=O)[C@@H]1CCCCO1	833250699	KELTXJPZRJMBQH-KGLIPLIRSA-N	305.378	1.594	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=Cc1cnn(CC)c1	732528329	XRBOVMXURFVNMX-UHFFFAOYSA-N	300.362	1.995	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCC(c2ccccc2)CC1	584929856	XIRGXCPFIKJAOR-UHFFFAOYSA-N	309.174	1.386	50	20	DDGD	
O=C(C[C@@H]1CCOC1)NNC(=O)c1cccc(OC(F)F)c1	739552286	RQIWHIWBLUNBJI-VIFPVBQESA-N	314.288	1.476	50	20	DDGD	
C[C@@H](CCCc1cccnc1)NC(=O)NNc1cccnn1	838749551	RFIIPMPOTXYSPJ-LBPRGKRZSA-N	300.366	1.909	50	20	DDGD	
Cc1ccc(NNC(=O)NCCCn2cncn2)c(Cl)c1	837458164	QMYYEQUECQEZGW-UHFFFAOYSA-N	308.773	1.956	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc([C@H]2CCOC2)cc1	836696903	JSZYXNHXEBJIIG-LBPRGKRZSA-N	307.350	1.380	50	20	DDGD	
C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cccc(B(O)O)c1	584960058	GOEQCPHDHWBSHT-DYVFJYSZSA-N	309.174	1.385	50	20	DDGD	
OB(O)c1ccc(CNc2ccccc2N2CCCCCC2)o1	585011938	HNGVPFCRIWSVQZ-UHFFFAOYSA-N	314.194	1.952	50	20	DDGD	
CCOc1ccccc1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	831068381	UCTGLNHRCBPHBL-WDEREUQCSA-N	307.350	1.663	50	20	DDGD	
CCn1ccnc1C(C)=NNC(=O)[C@@H]1COc2ccccc2O1	834918621	ZWWHKVPSJOVQFF-AWEZNQCLSA-N	314.345	1.583	50	20	DDGD	
N#Cc1cccc(NNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)c1	830767263	ZCMGCTWDVHZRQC-RBSFLKMASA-N	312.373	1.696	50	20	DDGD	
O=C(COCC1CCCC1)NNC(=O)Cc1ccccc1F	836661273	FVYYMZSGTLOMDB-UHFFFAOYSA-N	308.353	1.722	50	20	DDGD	
CCOC(=O)C[C@H](C)SCC(=O)NNC(=O)c1ccccc1	734368983	VQJWYPINVJHHKG-NSHDSACASA-N	324.402	1.523	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=Cc1cnc2cnccn12	746370049	DOZGQLWUEAVWCI-UHFFFAOYSA-N	323.356	1.821	50	20	DDGD	
COc1ccccc1C1(C(=O)NNC(=O)c2cccnc2)CC1	749162589	MCOBPQFPSNBQDO-UHFFFAOYSA-N	311.341	1.583	50	20	DDGD	
C[C@]1(C(=O)NNc2cc(O)nc3ncccc23)CCCOC1	913991317	PIDYETYBJVMTKK-HNNXBMFYSA-N	302.334	1.595	50	20	DDGD	
CCC(=O)N1CCN(S(=O)(=O)c2ccc(CCl)cc2)C1	916500958	YAGKLSBPMDKNAJ-UHFFFAOYSA-N	316.810	1.626	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1c[nH]c2ccc(OC)cc12	748254185	WNSMSUJKPJSJMH-NSHDSACASA-N	319.361	1.678	50	20	DDGD	
C[C@]1(C(=O)N2CCN3CC(F)(F)C[C@H]3C2)C[C@H]1Br	911431030	ZRAHWDRYCJOUND-NGZCFLSTSA-N	323.181	1.712	50	20	DDGD	
CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NC(=O)NNC(=O)C1CCCC1	745860591	XSYPXAPLTHGXHK-UPJWGTAASA-N	309.410	1.711	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Cc1coc2cc(F)ccc12	748287322	KQENRZZXALFMBT-UHFFFAOYSA-N	315.304	1.914	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1CCc2ccccc2C1	745843961	YORAPCLKVKUOMP-CQSZACIVSA-N	315.417	1.616	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)nc1	845888074	CLICTOHPOLIDMJ-NTZNESFSSA-N	301.346	1.914	50	20	DDGD	
CO[C@@H](C=NNC(=O)COc1cc(C)cc(C)c1)[C@H]1CCOC1	841606776	LGBPPZOHAKOCES-HOCLYGCPSA-N	320.389	1.836	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1cc(Cl)c2c(c1)OCO2	917028781	KJKAZJKTTHKUFI-UHFFFAOYSA-N	323.736	1.141	50	20	DDGD	
Cn1nccc1C=NNC(=O)c1nn(-c2ccccc2)cc1O	914555526	ULPLJONMZKHRDU-UHFFFAOYSA-N	310.317	1.075	50	20	DDGD	
Nc1ccc(C(=O)NN=Cc2cnc(N3CCCC3)nc2)cc1	914772173	MRJAOFLBMSTZOQ-UHFFFAOYSA-N	310.361	1.423	50	20	DDGD	
CCOC(=O)C[C@H](N/C=C(\C#N)C(=O)OCC)C(F)(F)F	849173886	AEABVIFJSVBPAU-FLOXNTQESA-N	308.256	1.431	50	20	DDGD	
CCN[C@H](C)CNC(=O)NNC(=O)C(C)(C)c1ccccc1	841985383	LCAKMPHMTMZWIC-GFCCVEGCSA-N	306.410	1.293	50	20	DDGD	
Cc1c(NNC(=O)N[C@H]2CCCNCC2)cccc1[N+](=O)[O-]	841979128	QHFHSXDSUDPMCF-NSHDSACASA-N	307.354	1.671	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2ccc([N+](=O)[O-])o2)cc1	917028778	KFPBJVGNKYJIAH-UHFFFAOYSA-N	316.273	1.585	50	20	DDGD	
C[C@H]1CC[C@@H](CCC(=O)NNC(=O)c2cccc(C#N)c2)O1	743335633	WTLWKQVVYRIOSW-FZMZJTMJSA-N	301.346	1.667	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1ccc(F)cc1O	740763759	OMTQQAGCFUXMKH-UHFFFAOYSA-N	309.341	1.676	50	20	DDGD	
CCOC(=O)CC(=O)NNc1ccc(OC(F)(F)F)cc1	748497601	JUKZITQMOGNRMT-UHFFFAOYSA-N	306.240	1.982	50	20	DDGD	
O=C(O)Nc1ccccc1C(=O)NNC(=O)c1ccncc1	740046662	VYOUEEJQQQTWNB-UHFFFAOYSA-N	300.274	1.246	50	20	DDGD	
NNC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1	841819308	GBQCNMTTXXMJGM-LLVKDONJSA-N	302.300	1.453	50	20	DDGD	
C[C@@H](CN1CCCCCC1)C(=O)NN=Cc1ccc(O)nc1	841615480	ZHAMIEMUULATIP-ZDUSSCGKSA-N	304.394	1.749	50	20	DDGD	
Cc1cccc(C2(C(=O)NNC(=O)N3CCOCC3)CCC2)c1	745987893	KLDMZRJIBBUVSQ-UHFFFAOYSA-N	317.389	1.490	50	20	DDGD	
C[C@H](OC1CCCCCC1)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843656148	XNVKROWQFGMKOW-MBNYWOFBSA-N	312.410	1.687	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(C#N)cc2)[C@@H](C)[C@@H]1C	842167633	WOUXVWGVGFBZDT-UPJWGTAASA-N	314.389	1.296	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2c(F)cc(F)cc2F)CCC(=O)N1	922806027	RYIPCUMRUVUTGD-ZDUSSCGKSA-N	316.283	1.399	50	20	DDGD	
CC[C@@H](Oc1ccccc1Cl)C(=O)NN(C)C(=S)NC	854924230	GOWXMQVGEGGHBM-SNVBAGLBSA-N	315.826	1.965	50	20	DDGD	
Cc1noc(C)c1CN(C)C(=O)NNC(=O)c1cccc(F)n1	852711164	MAFUQDMDEPYXDI-UHFFFAOYSA-N	321.312	1.312	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(F)ccc1OC(F)F	757676342	JLXAMMKIMQRBTO-UHFFFAOYSA-N	321.255	1.616	50	20	DDGD	
C[C@H]1COC[C@H]1NC(=O)NNC(=O)c1c[nH]c2ccccc12	925992487	RJBVVZKQEVQJAT-TVQRCGJNSA-N	302.334	1.147	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)CNC(=O)c1ccco1)CC(C)(C)C	751202894	JVLCVHHRSBTWKI-NSHDSACASA-N	323.393	1.619	50	20	DDGD	
Cn1cc(CCNC(=O)NC[C@@]2(C)C[C@@H]2Br)cn1	856825495	HQXSNPJVANDKFM-CMPLNLGQSA-N	315.215	1.435	50	20	DDGD	
CNC(=S)N(C)NC(=O)COc1cc(Cl)ccc1Cl	854926497	AKWHQAZCTJTDFM-UHFFFAOYSA-N	322.217	1.840	50	20	DDGD	
Cc1onc(N)c1S(=O)(=O)NC[C@@]1(C)C[C@H]1Br	856754059	BWFQHKMDZGOEQK-HZGVNTEJSA-N	324.200	1.017	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](C)Oc2cccnc2)nc1	759728318	BJACZFAJURKSRQ-JTQLQIEISA-N	316.317	1.174	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NCC1(CC(C)C)CC1	757251420	FLFABTHSBUGQIY-GFCCVEGCSA-N	315.414	1.195	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@@H]1CCCN1CC(F)(F)F	921599296	QSUFAZBSMDSCSU-VIFPVBQESA-N	322.780	1.561	50	20	DDGD	
COC[C@@H]1COCCN1C(=O)NC[C@]1(C)C[C@@H]1Br	923373624	NQBDTQWUJLERGE-SCVCMEIPSA-N	321.215	1.217	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)c1csc(NC2CC2)n1	857356116	FOHXESPHVWQIHI-UHFFFAOYSA-N	310.770	1.918	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1c(F)ccc(F)c1Cl	857275462	YODQTGUZPJOECU-VIFPVBQESA-N	318.707	1.948	50	20	DDGD	
CN(NC(=O)COc1ccc(CO)cc1)C(=O)OC(C)(C)C	854918623	CQHQDAOWSBHCMG-UHFFFAOYSA-N	310.350	1.456	50	20	DDGD	
Cn1nc(C2CC2)nc1C(=O)NC[C@]1(C)C[C@H]1Br	857249807	LWHBSPGKCNTQIW-PELKAZGASA-N	313.199	1.596	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C1C[C@@H](C)C[C@H](C)C1	854283942	QNXOGGVMKHHWGJ-RYUDHWBXSA-N	315.483	1.933	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCc2c(C)noc2C)c1	858202763	IPNUMTUMYNXZJO-UHFFFAOYSA-N	322.390	1.848	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)NCc1ccc(Cl)cc1	755667689	LRQCIECRJQPRPT-JTQLQIEISA-N	313.785	1.843	50	20	DDGD	
O=C(CCCC[C@H]1CCSS1)N[C@]1(CO)CCOC1	754597384	RGHWSGTYJTYMHK-AAEUAGOBSA-N	305.465	1.968	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1ccccc1C1CC1	751135419	XAUYFPDCKQSNMX-CQSZACIVSA-N	315.417	1.982	50	20	DDGD	
CCNC(=O)C1(CNC(=O)NNc2ncccc2C)CCC1	753295427	HNMYKGKBMJLSGE-UHFFFAOYSA-N	305.382	1.323	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)c1	862477627	OWFOIQJPUAKKCK-NXEZZACHSA-N	309.391	1.109	50	20	DDGD	
CCn1cc(C(=O)NNc2nc(C)cc(OC)n2)c(C2CC2)n1	866294014	JMCSYZXXJFTTEN-UHFFFAOYSA-N	316.365	1.644	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2ccccc2OC(F)(F)F)N1	863146596	XMSZYYLUWVAPKQ-VIFPVBQESA-N	315.251	1.314	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(C)(C)O)cc1C(F)(F)F	861205315	AZZSCXKBIBKQRY-UHFFFAOYSA-N	304.268	1.546	50	20	DDGD	
CC(=O)c1ncc(C(=O)NNCC(F)(F)C(F)(F)F)s1	863101639	AVMPNHYLHRBBSE-UHFFFAOYSA-N	317.239	1.778	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccc([C@@H]2CCOC2)c1	761388881	IRRJUNIRUSHJCS-CQSZACIVSA-N	305.378	1.935	50	20	DDGD	
CCc1csc(-n2cc(C(=O)NNc3cccnn3)cn2)n1	763226035	ZPDLQIJZZWBVCV-UHFFFAOYSA-N	315.362	1.438	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc[nH]1	760868466	MYKYIXCJWDRUDM-VIFPVBQESA-N	317.305	1.628	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@@H](CO)C1CCOCC1	768427053	GYNIMKMGIQQZEZ-QWRGUYRKSA-N	322.243	1.700	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNc2cc(C)ncn2)cc1F	765845738	YDNDWZJTRGPPBM-UHFFFAOYSA-N	303.297	1.639	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](C)OCc1cccc(C)c1	868893374	CXOQLABAZKUIJI-GFCCVEGCSA-N	316.361	1.842	50	20	DDGD	
Cc1ccc(CO[C@H](C)C(=O)NNC(=O)c2ccnnc2)cc1	862022310	UMVPLTJELMCBPE-GFCCVEGCSA-N	314.345	1.151	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C1CCCc2scnc21	863087410	MXSNNULGBZZBQV-UHFFFAOYSA-N	318.358	1.323	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)n1	862524481	LTQXVYDRKYWFLA-QMTHXVAHSA-N	306.391	1.287	50	20	DDGD	
CC(C)OCc1ccc(NC(=O)NNC(=O)c2cn[nH]c2)cc1	860519403	SGVGUKVLLHIXMX-UHFFFAOYSA-N	317.349	1.801	50	20	DDGD	
Cc1cc(C)c(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)c(C)c1	860224102	XLWOGABIZQPCRQ-LLVKDONJSA-N	304.350	1.043	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)COC(=O)C1(C)CC1	767384285	IVDTZKMHUAWHJG-UHFFFAOYSA-N	304.346	1.028	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2O)CCC1=O	763960000	VNKCSDDVJDLZNS-BDAKNGLRSA-N	324.764	1.812	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1cnc(C)s1	761261060	LGYFTTWIRCDWDC-UHFFFAOYSA-N	306.347	1.315	50	20	DDGD	
CCCC(=O)Nc1ccc(CNC(=O)NN(C)C(=O)OC)cc1	875084248	YQCZUNJKHBSUFP-UHFFFAOYSA-N	322.365	1.838	50	20	DDGD	
COCCOCC(=O)NN=Cc1cc(F)cc(C(F)(F)F)c1	872401986	PWOCEUGSWZULHX-UHFFFAOYSA-N	322.258	1.958	50	20	DDGD	
Cn1cc(C(=O)NNc2ncc(F)cn2)c(C(F)(F)F)n1	1116407926	ZHFRCHFMLACNRL-UHFFFAOYSA-N	304.207	1.125	50	20	DDGD	
COCC(=O)NNC(=O)Nc1nc(C)c(-c2ccccc2)s1	761862594	ZPLYUMCBEABCMZ-UHFFFAOYSA-N	320.374	1.918	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@]1(N(C)C)CCC[C@H](C)C1	875134714	FQBJRZMEUULIFL-SMDDNHRTSA-N	300.403	1.409	50	20	DDGD	
CN(NC(=O)c1ccc(CNC(=O)C2CCCC2)cc1)C(N)=O	778412106	NHXPEIKNRPTRJR-UHFFFAOYSA-N	318.377	1.148	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1cc(C(F)(F)F)c(F)cc1C	873802881	XINZYPUORJRKCY-UHFFFAOYSA-N	321.230	1.259	50	20	DDGD	
C#CCOc1cccc(NC(=O)NNC(=O)C2CCOCC2)c1	878666781	WVNTUCDRKDARNI-UHFFFAOYSA-N	317.345	1.278	50	20	DDGD	
C[C@H](OC1CCCCC1)C(=O)NNC(=O)c1ccccc1O	1116070728	AMVNDCOKTJSLNT-NSHDSACASA-N	306.362	1.891	50	20	DDGD	
CCCCOCC(=O)NNC(=S)Nc1ccccc1OC	873768523	BAZOJYUXJGOLCB-UHFFFAOYSA-N	311.407	1.830	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=S)Nc1cccc(F)c1F	1118257323	DTQMLCOTBKNTTJ-HTQZYQBOSA-N	315.345	1.707	50	20	DDGD	
O=C(C[C@H]1C=CCCC1)NNC(=O)c1ccc2c(c1)OCO2	777762407	JMXVSFHWUJHILA-NSHDSACASA-N	302.330	1.923	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc[nH]1	875421820	UNSCWDFEUWOERD-BFHYXJOUSA-N	302.378	1.396	50	20	DDGD	
COc1cc(Cl)ccc1NC(=O)NNC(=O)CN(C)C	776082787	RGTYTSABAZKVIU-UHFFFAOYSA-N	300.746	1.063	50	20	DDGD	
CCOCCN(C)CC(=O)NNC(=O)c1cccc(Cl)c1	772383877	JPWMJODWEABOSK-UHFFFAOYSA-N	313.785	1.069	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1cnc(C2CC2)o1	878905934	YHARACQWBQBPNI-UHFFFAOYSA-N	315.329	1.530	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)c2ccccc2O)c(C2CC2)n1	878003523	CWAXXLBJWOTVJG-UHFFFAOYSA-N	314.345	1.561	50	20	DDGD	
CC(C)(C)C(=O)NN=C1C(=O)Nc2c(F)cc([N+](=O)[O-])cc21	774370246	SGWKHXCYHVSVBS-UHFFFAOYSA-N	308.269	1.552	50	20	DDGD	
CC1(OCC(=O)NNc2cccc(S(C)(=O)=O)c2)CCC1	776529372	IFPJPFAKFJSNTQ-UHFFFAOYSA-N	312.391	1.492	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)COc2cc(C)ccc2C)C1	875906465	OUOZYBCLYFJILM-JOCQHMNTSA-N	321.377	1.190	50	20	DDGD	
CCC(CC)(CC)C(=O)NNC(=O)CNC(=O)OC(C)(C)C	778433281	IXHNVODSZPKZTR-UHFFFAOYSA-N	315.414	1.875	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCc1ccc(OCC)cc1	887141931	PDBVKMZXYWMFSW-UHFFFAOYSA-N	302.374	1.969	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccccc1OC(C)C	772089120	GFBMQZRHZUXWQE-LLVKDONJSA-N	322.361	1.577	50	20	DDGD	
CC(C)(O)CCNC(=O)NNC(=O)c1ccc2ccccc2c1	773213737	YBIOOBJEWSGPPB-UHFFFAOYSA-N	315.373	1.945	50	20	DDGD	
NC(=O)N1CCC[C@H](C(=O)NNc2ccc(F)cc2Cl)C1	885135654	JAWLZPHIKLRORK-QMMMGPOBSA-N	314.748	1.713	50	20	DDGD	
CN(C)CCn1ccc(C(=O)NNc2ccc(F)c(F)c2)n1	885113681	INDUDUXEUAOWFN-UHFFFAOYSA-N	309.320	1.480	50	20	DDGD	
CC(=O)OCCc1cccc(NC(=O)NN=c2cc[nH]cc2)c1	782064068	CZLXFSPFCDYWPS-UHFFFAOYSA-N	314.345	1.758	50	20	DDGD	
CCOC(=O)c1cnc(C)c(NC(=O)NNC(=O)C2CCC2)c1	782594695	SOMBFJXPZWPNKF-UHFFFAOYSA-N	320.349	1.520	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1	887151873	NNKHHTJYFSTKTH-HAQNSBGRSA-N	323.393	1.241	50	20	DDGD	
CCOC(=O)[C@H](CC(=O)NNc1cc(F)ccc1F)C(C)=O	885141588	HSPBYGPOANXYTO-SNVBAGLBSA-N	314.288	1.566	50	20	DDGD	
CC1(NC(=S)NNC(=O)Nc2ccc3c(c2)OCO3)CC1	789253671	YSROKHCOUCHJQQ-UHFFFAOYSA-N	308.363	1.468	50	20	DDGD	
O=C(NN=Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)F	782234059	AKKXJWJXBRACBW-UHFFFAOYSA-N	301.205	1.081	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NC1(C#N)CCOCC1	781092517	XKOMFRMSRQYVBT-VIFPVBQESA-N	303.200	1.985	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)CCCNC(=O)C1CC1	788188293	GXKSHAGCHFEARA-UHFFFAOYSA-N	309.341	1.584	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCCCc1ccccc1	896248544	PGUFKAJSBSXHAB-UHFFFAOYSA-N	300.362	1.892	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)Nc1ccc(-n2cccn2)c(F)c1	781161030	LUFMOPUUILPOSJ-UHFFFAOYSA-N	312.308	1.977	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@@H]2CCN(C(C)C)C2)nc1	781000696	MBFOEHJFFYKWMQ-LBPRGKRZSA-N	307.398	1.447	50	20	DDGD	
Cc1cc(C(=O)NNc2ccnc(F)c2)c2c(C)n[nH]c2n1	781355930	NHJGYQJDWNDQQA-UHFFFAOYSA-N	300.297	1.866	50	20	DDGD	
COC(=O)CCCc1nc(COC(=O)/C(C#N)=C/C2CC2)no1	786680042	GCKJQYDTAGYYJN-YRNVUSSQSA-N	319.317	1.468	50	20	DDGD	
COc1ccc([C@H](NC(C)C)C(=O)NNC(=O)CC2CC2)cc1	897860043	FAYFFAVTPIPYJI-INIZCTEOSA-N	319.405	1.682	50	20	DDGD	
CC[C@H](O)[C@@H](C)C(=O)NNC(=S)Nc1ccccc1OC	899939401	NJNMKGBWAQBBCA-KOLCDFICSA-N	311.407	1.420	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCC(=O)[C@H](C)C1(C)C	780627826	IVODSLHXSATMAS-GZMMTYOYSA-N	306.366	1.121	50	20	DDGD	
OB(O)c1cccc(-c2noc([C@@H](O)C3CCCCC3)n2)c1	896943803	JBDVGJSHQIDGMT-ZDUSSCGKSA-N	302.139	1.030	50	20	DDGD	
O=C(NN=C1CC[C@@H](C(=O)O)c2ccccc21)[C@@H]1CCOC1	789053637	ALBNBBVVDIRBSC-ZWNOBZJWSA-N	302.330	1.505	50	20	DDGD	
CC(C)C1CCC(C=NNC(=O)[C@H](C)NS(C)(=O)=O)CC1	794905583	WENPCOSKXWVUGB-HIFPTAJRSA-N	317.455	1.489	50	20	DDGD	
COc1ccc(NNC(=O)c2n[nH]c3c2C[C@@H](C)CC3)nc1	897496534	NOQUAWZHNQKERF-VIFPVBQESA-N	301.350	1.695	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)NCCc1cccs1	793208200	UGTNUOUXDCGWPQ-WDEREUQCSA-N	323.418	1.626	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cn(-c2cc(C)cc(F)c2)nn1	790015250	DCZTWYFGQFLAMG-UHFFFAOYSA-N	320.328	1.021	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2c[nH]nc2-c2cccnc2)n1	794082096	XUWAFARMMGDEHB-UHFFFAOYSA-N	322.328	1.250	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)CC(F)(F)F)c1cccnc1	798107980	DMIVWQIMMNECAG-NSHDSACASA-N	303.284	1.921	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cccc(-n2ccc(C)n2)c1	1318137943	ZMPVZMDZLHRWIB-UHFFFAOYSA-N	301.350	1.535	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1ccc(Br)cc1F	1319227409	SWEZMQZSKMQVNN-UHFFFAOYSA-N	317.114	1.601	50	20	DDGD	
Nc1cnnc(NNC(=O)NCc2cccc(F)n2)c1Cl	1319370343	QCKDBCRVZWDLFS-UHFFFAOYSA-N	311.708	1.073	50	20	DDGD	
Cn1c(=NNC(=O)NC[C@H]2CCOC2)sc2ccccc21	1317965575	DXJBCTMVQNEJLW-SNVBAGLBSA-N	306.391	1.391	50	20	DDGD	
CC(=NNC(=O)C[N+](C)(C)C)[C@H]1CCN(Cc2ccccc2)C1	1325011654	MJAKORODFMOFMB-KRWDZBQOSA-O	317.457	1.707	50	20	DDGD	
O=C(Cn1c(=O)oc2ccccc21)NNc1ncncc1Cl	1320516879	UXFRBDWKANAFDH-UHFFFAOYSA-N	319.708	1.181	50	20	DDGD	
CCOC1(C(=O)NNC(=O)c2ccc(OC)cc2)CCCC1	1325685359	MPVFSAKTTUAIAY-UHFFFAOYSA-N	306.362	1.806	50	20	DDGD	
C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)NNC(=O)C1CCNCC1	1325366288	KTQSKYVLXYDZEW-DGCLKSJQSA-N	310.442	1.531	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O	1330270320	AGRRSPFENVBPSR-CMPLNLGQSA-N	320.349	1.093	50	20	DDGD	
Cc1nnc(O)c(CNC(=O)NNc2cncc(Cl)n2)c1C	1251910711	HPIQKYXFEBNWIC-UHFFFAOYSA-N	323.744	1.069	50	20	DDGD	
COCOc1ccc(NC(=O)NNC(=O)CC(F)(F)F)cc1	1330709251	YPNOMRNBTPSWJT-UHFFFAOYSA-N	321.255	1.774	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccc2oc(C3CC3)nc2c1	1342675860	RAGBSYDTDJDGIE-UHFFFAOYSA-N	304.306	1.240	50	20	DDGD	
C[C@@H]1[C@@H](C(=O)NNC(=O)CSc2ccccc2O)C1(F)F	1263772640	VEXHWLWPGBMUCU-HQJQHLMTSA-N	316.329	1.533	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2ccc(CC(=O)O)cc2)cn1C	1607561815	NJNZINDIMQNMNJ-UHFFFAOYSA-N	315.329	1.078	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccc(C(=O)O)cn2)c1C(F)F	1601021797	PBUMWWPDXGFTHM-UHFFFAOYSA-N	311.248	1.208	50	20	DDGD	
CO[C@@]1(C(=O)O)CCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C1	1606690898	GJDLXRWBYIIWRQ-WQPBDQAGSA-N	317.301	1.635	50	20	DDGD	
N#C/C=C(\c1ccccc1)N1CCS(=O)(=O)C[C@@H]1CC(=O)O	1601060494	JBOGWOYRJSMAII-VYAXBHEWSA-N	320.370	1.125	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1cc(Br)cs1	1608754689	YDIMQDRILOCQHI-UHFFFAOYSA-N	306.141	1.228	50	20	DDGD	
COCc1cc(C(=O)NNc2ccc(C(=O)O)cc2OC)no1	1610265710	LRCXGRDJTDRZJC-UHFFFAOYSA-N	321.289	1.285	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cccc([N+](=O)[O-])c2)nc1	1610835858	IQEPVMBWEJAXCX-UHFFFAOYSA-N	302.246	1.445	50	20	DDGD	
CO[C@H]1CN[C@@](C)(C(=O)NNc2ccc([N+](=O)[O-])cc2C)C1	1573960611	LERZWQBSDNGOSG-BXUZGUMPSA-N	308.338	1.113	50	20	DDGD	
O=C(NOCc1cnn[nH]1)[C@@]12CC[C@@H](C[C@@H]1Br)C2	1578014592	FVOPFGUPBNVFMY-OVYXKVPISA-N	315.171	1.306	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)[C@@H]1CC[C@H]2CCCC[C@@H]2N1	1580733515	WZELMHRSGNXFMN-PMXAPFLYSA-N	321.421	1.012	50	20	DDGD	
C[C@@H](Cc1ccc(C#N)cc1)C(=O)NNc1ncccc1C(=O)O	1589079477	RJBDAYZXGPJWOB-NSHDSACASA-N	324.340	1.973	50	20	DDGD	
O=C(NNc1ccccc1Br)[C@@H]1NCc2n[nH]cc21	1580739546	JAAIEULTHYOFSD-LLVKDONJSA-N	322.166	1.460	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2ccc(CCN)cc2)c1	1580060405	YQCGKWFZLPVPSY-UHFFFAOYSA-N	315.764	1.865	50	20	DDGD	
Nc1ccc(C(=O)NNC(=S)NCCc2cccs2)nc1	1580440107	PXFXQOQTWDOTLZ-UHFFFAOYSA-N	321.431	1.077	50	20	DDGD	
CC(C)Cn1nccc1C(=O)NNc1ncccc1C(=O)O	1588912427	JALMJODCLQKKEL-UHFFFAOYSA-N	303.322	1.389	50	20	DDGD	
COC(C)(C)C(=O)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846386504	SZSZCJVPLBENCO-UHFFFAOYSA-N	323.220	1.419	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccc(C(=O)O)[nH]1)c1ccccc1	1594735409	ABKMLJWONZGBSR-NSHDSACASA-N	315.329	1.668	50	20	DDGD	
O=C([C@@H](F)Cl)N1CCCC12CN(C(=O)C13CC(F)(C1)C3)C2	1843362129	DUEOERQFZPMHJW-UHEGKEBESA-N	318.751	1.616	50	20	DDGD	
C[C@H](CC(=O)NNc1ccccc1C(=O)O)c1cnn(C)c1	1592251371	BLJJLJZUVQXJNQ-SNVBAGLBSA-N	302.334	1.755	50	20	DDGD	
CO[C@H](C(=O)O)C(=O)NNc1ccc(OCC(F)(F)F)cc1	1593911200	HPSULQKCTGJKJB-VIFPVBQESA-N	322.239	1.170	50	20	DDGD	
O=C(O)C1(C(=O)NNc2nc3ccncc3s2)CC=CC1	1594868151	ZRVCNGJZPUUYND-UHFFFAOYSA-N	304.331	1.555	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)OCC(=O)CCC(=O)O)c1	1599664364	KMLIHTTWXUNZJU-KPKJPENVSA-N	317.297	1.579	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)CC1CC1)c1cccc(C(=O)O)c1	1598708730	GYPKAROZUFVVAZ-ZDUSSCGKSA-N	306.318	1.020	50	20	DDGD	
N#C/C=C/Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Cl)ccc21	1592671967	UTGZAAVBIXPQTC-OWOJBTEDSA-N	312.720	1.915	50	20	DDGD	
COc1cccc(O)c1C=NNC(=O)c1ccc(C(=O)O)cc1	1776099168	SRKAGAFEGOAFRA-UHFFFAOYSA-N	314.297	1.863	50	20	DDGD	
O=C(O)CCOc1ccc(C=NNC(=O)c2ccon2)cc1	1776105684	AJQANMLQPRFMKD-UHFFFAOYSA-N	303.274	1.292	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C\c1cnc2ccc(C(=O)O)cn12	1776330815	CHLAVOAJOSVCBV-XGICHPGQSA-N	312.329	1.712	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl)c1cnc[nH]1	1796804486	VUQWGJDUKBOXGH-PKIKSRDPSA-N	314.748	1.196	50	20	DDGD	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NNC(=O)C(C)C)c1C	15245030	NTXNYWVDNCEGOS-UHFFFAOYSA-N	315.351	1.177	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccc(F)cc2F)nc1	158095537	ILQFACNSVMPEQV-UHFFFAOYSA-N	307.256	1.903	50	20	DDGD	
COC(=O)C(C)(C)CNC(=O)c1c(C)nn(CCCl)c1C	158356928	PAKLWDYMLSDYJP-UHFFFAOYSA-N	315.801	1.668	50	20	DDGD	
COC(=O)NNC(=O)c1cn(C)nc1-c1ccccc1Cl	158689558	PPZBZYOGPRHICR-UHFFFAOYSA-N	308.725	1.741	50	20	DDGD	
CSCC[C@@H](NC(N)=O)C(=O)NNc1ccc(F)cc1C	160661049	YPVNEAZHPRPFNQ-LLVKDONJSA-N	314.386	1.367	50	20	DDGD	
CCCc1[nH]ncc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	163506950	KNRDMJOOYJVWHX-UHFFFAOYSA-N	317.305	1.345	50	20	DDGD	
Cn1/c(=N/NC(=O)C[C@H]2COC(=O)C2)sc2ccccc21	164078509	GWYBFEQRBDBMCX-UZMFJHSZSA-N	305.359	1.125	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2n[nH]c3c2CCC3)n1	155730609	PKRYXLHHLZJWJU-UHFFFAOYSA-N	315.381	1.292	50	20	DDGD	
CCc1nnsc1C(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	155296770	DDVADNCOJRTBPW-UHFFFAOYSA-N	323.334	1.774	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc2ccccc2o1	154209742	KSMMKDVRLPXWFB-UHFFFAOYSA-N	309.416	1.905	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc(OC(F)(F)F)cc1	155452023	LXBSHOKOVRRMNO-UHFFFAOYSA-N	320.271	1.300	50	20	DDGD	
CC1(C)CCCC[C@H]1NC(=O)NNC(=O)Cc1cccnc1	154321722	UHAXTKCTWWRYDU-CYBMUJFWSA-N	304.394	1.923	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)c2cccc(-n3cccc3)c2)nn1	154387578	SSPTXOWNKXPKCF-UHFFFAOYSA-N	322.328	1.123	50	20	DDGD	
Cc1nc(CNS(=O)(=O)c2ccc(CCCl)cc2)n[nH]1	392357096	OGYNXFICKYVCTC-UHFFFAOYSA-N	314.798	1.373	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](C)C(=O)N2CCCC[C@H]2C)nn1	106269470	FTIPNZGBAUUQED-NEPJUHHUSA-N	320.397	1.201	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNC(=O)CSc1ccc(C)cc1	7698536	PIHMGZDYMNRGLM-FMIVXFBMSA-N	319.386	1.679	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)Cc1cccnc1)c1ccccc1	106652118	XLPJBVMNGQCINX-KRWDZBQOSA-N	313.357	1.333	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C1CCOCC1	25169607	HCAHRPRQEXVMRO-SNVBAGLBSA-N	310.325	1.167	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNc1nc2ccccc2c(=O)n1C	113188488	UZZRBVJWHHRALL-LLVKDONJSA-N	318.377	1.582	50	20	DDGD	
N#Cc1ccsc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	52027728	URGMGKUMPKFFDC-UHFFFAOYSA-N	316.298	1.603	50	20	DDGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)[C@H]1COCCO1	179948326	AVUFEOMKJSDQMN-SECBINFHSA-N	309.124	1.991	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1cc(Cl)ccn1	106287577	YODNSCWTIBTRJE-UHFFFAOYSA-N	319.748	1.834	50	20	DDGD	
N#Cc1ccc([C@H](NNC(=O)CC2CCCC2)C(N)=O)cc1	115598933	KVGHZVBKBGWKOJ-HNNXBMFYSA-N	300.362	1.286	50	20	DDGD	
Nc1c(C(=O)NNC(=O)NC2CCCCC2)cccc1[N+](=O)[O-]	175719004	JRNDPNPYAGTFAL-UHFFFAOYSA-N	321.337	1.454	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc(-c2ccco2)[nH]c1=O	65834722	BSMOAJGIBYLHJG-UHFFFAOYSA-N	319.317	1.804	50	20	DDGD	
CC(C)Cc1ccc(CC(=O)NNC(=O)C(=O)NC(C)C)cc1	61225968	FIIVRBULRGRSTH-UHFFFAOYSA-N	319.405	1.100	50	20	DDGD	
CC(C)c1noc(CCC(=O)NNC(=O)NC2CCCC2)n1	65919570	URVPEWCELKHVCP-UHFFFAOYSA-N	309.370	1.399	50	20	DDGD	
CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)NNc1cccnn1	172500139	JGKDNQYCRKSAOV-AAEUAGOBSA-N	307.398	1.944	50	20	DDGD	
CC[C@@H]1CN(C(=O)NNC(=O)CCOc2ccccc2)CCO1	60996161	XGKFKGSXGXOJDI-CYBMUJFWSA-N	321.377	1.307	50	20	DDGD	
CCc1nc(CC(=O)NNC(=O)c2ccc(C#N)cc2)cs1	61462535	STFDTJOWJXVKQO-UHFFFAOYSA-N	314.370	1.581	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1ccncc1Cl	174301984	PNQFCSYECVJYTN-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
COC(=O)c1cccc(CC(=O)NNc2ncc(F)cn2)c1	122507584	MQTYOYUBRMXCCB-UHFFFAOYSA-N	304.281	1.088	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc2nc(C)oc2c1	124859422	MUHDZYZJWKTIBN-MRVPVSSYSA-N	318.333	1.268	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NNC(=O)c1cnn(C)c1	123917045	LRAIQIONCZGIDY-QWRGUYRKSA-N	304.375	1.355	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCS[C@@H]2COCC[C@H]21	154761202	QVHPCAQOGYOQEX-GHMZBOCLSA-N	313.872	1.542	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1cnn(CC2CC2)c1	186296224	FQVSGLHKOVNVEZ-UHFFFAOYSA-N	302.338	1.098	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccncc2)ccc1N(C)C	183684263	XEBBVRDCVCXAOO-UHFFFAOYSA-N	313.361	1.923	50	20	DDGD	
O=C(CC1CCC2(CC1)OCCO2)NNc1ccnc(F)c1	187869674	SQIPIRGMQTUKFA-UHFFFAOYSA-N	309.341	1.987	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc(F)cc1Br	49468678	AMNXLGAHEDXCTI-UHFFFAOYSA-N	318.146	1.941	50	20	DDGD	
CCC(=O)c1cccc(NC(=O)NNC(=O)c2cnn(C)c2)c1	183290809	BQSNMLYAIPBZBP-UHFFFAOYSA-N	315.333	1.479	50	20	DDGD	
COCCN1CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CC1	182965379	JOONYLZESSJTLX-QINSGFPZSA-N	317.364	1.523	50	20	DDGD	
CCOC(=O)COc1cccc(NC(=O)NNC(=O)OC)c1	44165508	SFVRVVQURBDPRA-UHFFFAOYSA-N	311.294	1.021	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1csc([C@@H]2CCCO2)n1	132319595	UQOZMTGZHKPWOS-JTQLQIEISA-N	321.362	1.101	50	20	DDGD	
COc1cccc([C@@H](C)C(=O)NNc2cc(Cl)nc(N)n2)c1	134088920	PSUBORSYIKSTAN-MRVPVSSYSA-N	321.768	1.968	50	20	DDGD	
CC(C)COCCCNC(=O)NNC(=O)c1ccccc1F	45158874	WABMPJYRQMTDKB-UHFFFAOYSA-N	311.357	1.832	50	20	DDGD	
O=C(CCCC[C@H]1CCSS1)NCCN1CCNCC1	224749003	IPHFWTNVTIADAQ-ZDUSSCGKSA-N	317.524	1.722	50	20	DDGD	
CC(=O)NCCNC(=O)NNc1ccc(Cl)cc1Cl	43140474	ZZDRYYPBOHKPQU-UHFFFAOYSA-N	305.165	1.756	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)C[C@H]1CCCOC1	195072083	LPMHHAVYRGBBSG-GFCCVEGCSA-N	316.361	1.220	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)C1(c2cccs2)CCCCC1	190063230	NLCQZAPJFTUSRK-UHFFFAOYSA-N	310.419	1.868	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cc(F)ccc2C)nc(C)n1	130342417	YDXPWNBFSDBGJX-UHFFFAOYSA-N	317.324	1.623	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@@H](CO)Cc1ccccc1	193179487	JEUJAXCAIPWGIX-OAHLLOKOSA-N	313.357	1.234	50	20	DDGD	
CCCOCC(=O)NNC(=O)[C@@H](C)Oc1ccc(OCC)cc1	143681677	OYBFIBVAHHNJAM-GFCCVEGCSA-N	324.377	1.427	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C\c2csc([N+](=O)[O-])c2)n1	255903654	SXFMPEHLXAPQCG-WTKPLQERSA-N	303.303	1.935	50	20	DDGD	
CCOCCCC(=O)NNC(=O)CNc1cccc(OC)c1	264042577	WCFPGCAKIADYNL-UHFFFAOYSA-N	309.366	1.071	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNC(=O)c1ccc(C)s1)C(C)C	264455446	IZPRLEHYDJDTKT-JTQLQIEISA-N	313.379	1.198	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cnn(C[C@H]2CCCO2)c1	368319583	SNRSMDDKSXCJKI-ZYHUDNBSSA-N	309.370	1.261	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)CC3(C)CCCCC3)nc21	269979872	OCCXASUCAMUYMV-UHFFFAOYSA-N	318.381	1.873	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@H]1CCc2n[nH]cc2C1	366761209	RLTVLPQEOGKPDP-ZDUSSCGKSA-N	312.373	1.295	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H](C)c2nnc(C)s2)nc1	275964321	MRTVSFRUSFMDQA-ZETCQYMHSA-N	308.367	1.637	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC(=O)c2ccccc21)NC1CCCC1	276397336	CSIUNVJTDLARCS-ZDUSSCGKSA-N	301.346	1.630	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1ccc(CC(C)C)cc1	274359451	MXTUJFSRXQQXFT-UHFFFAOYSA-N	313.423	1.740	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCC1(O)CCOCC1	273240867	QKQZDSNHKOPNJT-LCYFTJDESA-N	304.321	1.390	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(C#N)c(Cl)c1)S(C)(=O)=O	273481323	LBSYPHRGXMDFMO-UHFFFAOYSA-N	315.782	1.478	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2O)CCO1	271838656	ARBVUFFPXQYOLR-RKDXNWHRSA-N	312.753	1.622	50	20	DDGD	
CC(C)[C@H](NC(=O)NNc1ccc(Cl)nn1)c1nncn1C	287074136	VFBKZENYMBJGOZ-JTQLQIEISA-N	324.776	1.282	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)c1cccc2ncccc12	282556806	DJEVLBKVDDXFIN-FIXISWKDSA-N	313.357	1.809	50	20	DDGD	
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NNc1cncc(Cl)n1	281605864	RVYQACKXKSRLFR-BXKDBHETSA-N	311.773	1.737	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2cc(C3CC3)n(C)n2)n1	289748251	JHJRIESMLJBZFG-UHFFFAOYSA-N	301.354	1.853	50	20	DDGD	
CN([C@H]1CCCc2c1cnn2C)S(=O)(=O)CBr	374675367	DADXPAKIOFBQEO-JTQLQIEISA-N	322.228	1.412	50	20	DDGD	
CN(CCC(=O)NNC(=O)c1ccc[nH]1)C(=O)OC(C)(C)C	284868502	DZCWMXUAFICUHB-UHFFFAOYSA-N	310.354	1.033	50	20	DDGD	
O=C(NCCC(=O)OC1CCCCC1)NNC(=O)c1ccc[nH]1	282843153	KWSNGAYICAMWNK-UHFFFAOYSA-N	322.365	1.225	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1c(-c2cccnc2)noc1C	285718148	FJCKZMCKQQFSKO-UHFFFAOYSA-N	303.322	1.351	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C[C@H]2CC[C@H](C)C2)cc1	282655027	HOUMUZBUWQFJSX-STQMWFEESA-N	317.389	1.907	50	20	DDGD	
COCc1ncc(C(=O)NNc2cc(Cl)nc(C)n2)s1	288758560	KUHDFAJBQQFFJN-UHFFFAOYSA-N	313.770	1.798	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1nn(CCCOC)cc1C	297398317	MJDWKGLSERZWOT-JTQLQIEISA-N	311.386	1.427	50	20	DDGD	
CC(C)C[C@@H]1OCCC[C@H]1NC(=O)NNc1ncncc1F	292959966	HKVBGHSDTDFPMP-NEPJUHHUSA-N	311.361	1.836	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1	809972541	XAAMXHFJUUIUEJ-UHFFFAOYSA-N	301.302	1.266	50	20	DDGD	
O=C(NNC(=O)c1cncc(C(F)(F)F)c1)c1ccncc1	809538223	LCQSEDWEMRXAAL-UHFFFAOYSA-N	310.235	1.570	50	20	DDGD	
C[C@H](CN1CCCC1=O)NC(=O)NNc1cccc(Cl)n1	292619679	IREZKNMVLRFFOY-SECBINFHSA-N	311.773	1.372	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ncccc2F)cc1F	807302343	RXCJWDIEMQKBRV-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@@H]1CC(c2cccnc2)=NO1	804772580	NNGJBTYBEQZGOG-NSHDSACASA-N	301.281	1.252	50	20	DDGD	
Cc1cc(NC(=O)NNc2cccc(F)n2)ccc1C(N)=O	806258553	SVDYNSKECQSOGX-UHFFFAOYSA-N	303.297	1.777	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cc2ccc(F)cn2)c1	807212242	USQCNFHJQFNGAL-UHFFFAOYSA-N	303.293	1.693	50	20	DDGD	
Cc1ccc([C@@H](C)C(=O)NNc2ccc(-n3ccnc3)nn2)o1	804953832	GRPOUFPTXUGIPN-LLVKDONJSA-N	312.333	1.811	50	20	DDGD	
NS(=O)(=O)c1cc(C=NNC(=O)C2CCCC2)ccc1F	807962527	AVTTZFAGPYXWRI-UHFFFAOYSA-N	313.354	1.113	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2OC[C@H]3COCC[C@H]32)cccc1[N+](=O)[O-]	291417276	YMOHETGHBKCMKB-JTNHKYCSSA-N	321.333	1.398	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)c1cc(Cl)ccc1O	800687952	KEPUALFWIGVGGA-JOAULVNJSA-N	312.753	1.620	50	20	DDGD	
C[C@@H](CN1CCCCCC1)C(=O)NNC(=S)NC1CCC1	814190622	BIUGODQATQYDMD-LBPRGKRZSA-N	312.483	1.546	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)Nc1ccc2c(c1)OCO2)C1CC1	813574548	DDVYUCFMDBIJFO-OAHLLOKOSA-N	321.333	1.383	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=C[C@H]1CCCOC1	814731051	XBUUPWKAHQMZOJ-CYBMUJFWSA-N	300.362	1.873	50	20	DDGD	
CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)NNC(=O)CC1CC1	819122918	MAMSZQMPNGURAX-LBPRGKRZSA-N	312.414	1.056	50	20	DDGD	
CC[C@@H](Cc1ccccc1C)C(=O)NNC(=O)c1ccnnc1	819577959	VZJFVAQHGYNMNG-ZDUSSCGKSA-N	312.373	1.815	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)CCCC2=O)c1cccnc1	814697321	IXRXDCGCGPHWMW-UHFFFAOYSA-N	309.325	1.675	50	20	DDGD	
N#C[C@H]1CCCC(=NNC(=O)Cc2cc(O)nc(S)n2)C1	814783408	FXSUZHCJQSDQGB-QMMMGPOBSA-N	305.363	1.199	50	20	DDGD	
Cc1csc(CC(=O)NN=C2CC[C@@H](CC(=O)O)[C@@H]2C)n1	814779833	SHANUIRTHRKRJZ-UWVGGRQHSA-N	309.391	1.987	50	20	DDGD	
NC(=O)c1cc(NC(=O)NNc2ncncc2F)ccc1Cl	813840269	RXECRMWTVANAQZ-UHFFFAOYSA-N	324.703	1.517	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCCCC1)C1CCN(C)CC1	814763677	IPKUCEADTDRHHU-AWEZNQCLSA-N	308.470	1.942	50	20	DDGD	
N#Cc1cccc(C(=O)NNc2nc(-c3ccncc3)no2)n1	810312369	QWKMJEFDBZBCAI-UHFFFAOYSA-N	307.273	1.155	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1CCC[C@@H]1C(C)(C)C#N	814762877	MYJBTPQOCDGCBM-KBPBESRZSA-N	320.437	1.777	50	20	DDGD	
CN(NC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1)C1CC1	819648610	KZQSWZSJIKZCRP-UHFFFAOYSA-N	318.345	1.563	50	20	DDGD	
O=C(NCCc1cn[nH]c1)NNC(=O)c1ccc2ccccc2n1	811932313	MZVWDIZSANQAJU-UHFFFAOYSA-N	324.344	1.145	50	20	DDGD	
O=C(CCc1ccccc1O)NN=Cc1cc(CO)ccc1O	814840230	KFDARSLBXZDFRN-UHFFFAOYSA-N	314.341	1.673	50	20	DDGD	
CC(=O)N[C@@H](CC(=O)NNc1nc[nH]n1)c1ccc(Cl)cc1	816632316	CSYPUVJKTPZNCT-NSHDSACASA-N	322.756	1.169	50	20	DDGD	
Cn1ccc(C(=O)NNC(=O)CCSc2ccc(F)cc2)n1	727365953	OWUKQEQDUFTAAW-UHFFFAOYSA-N	322.365	1.503	50	20	DDGD	
Cc1nc(C)c(C(=O)NNc2cccc(-c3nn[nH]n3)c2)s1	826324079	CTHWKOIGHPRNLK-UHFFFAOYSA-N	315.362	1.697	50	20	DDGD	
CC1=C(C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCCO1	824852277	JHGQAWOXCVEFDO-UHFFFAOYSA-N	300.322	1.394	50	20	DDGD	
COc1cccc(NNC(=O)/C=C\c2ccc(OC)c(O)c2)n1	493247364	CWBUKLXCZJUAOX-CLFYSBASSA-N	315.329	1.961	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(NC(=O)C(C)(C)C)nc1	823889026	FTSGNOMYWXDXBU-UHFFFAOYSA-N	308.382	1.025	50	20	DDGD	
CC(C)c1ccccc1NC(=S)NNC(=O)CCNC(N)=O	727173921	GCBMUKVRWXZKGF-UHFFFAOYSA-N	323.422	1.186	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)/C=C/c1ccc2[nH]ccc2c1	492297916	JGMWJKVLTYUBMI-HWKANZROSA-N	309.329	1.674	50	20	DDGD	
CCO/C=C/C(=O)NNC(=O)Cn1c(CC)nc2ccccc21	493452246	DCYXBMINBWJDLZ-MDZDMXLPSA-N	316.361	1.296	50	20	DDGD	
COCCn1ccc(NC(=O)NNc2ccnc(Cl)c2)n1	820730431	IWHINKDJHMQZJA-UHFFFAOYSA-N	310.745	1.727	50	20	DDGD	
COc1ccc(CCNC(=O)/C(C#N)=C\c2ccn(C)n2)cc1	490814753	XRDZVCLYEUMASI-KAMYIIQDSA-N	310.357	1.695	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@]1(C#N)CC12CCCC2	823222195	GRXVMDGILHMVFU-KRWDZBQOSA-N	313.357	1.930	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCc1ccccc1O	825756159	KCXVLPDITQWNKL-OCCSQVGLSA-N	304.346	1.063	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1cccc(C(=O)O)c1	497160474	MZXNVDQIMDPHJH-UHFFFAOYSA-N	321.333	1.360	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCO1	824864519	BKAFMMLFCPNBPO-ONGXEEELSA-N	302.338	1.125	50	20	DDGD	
COc1ccc2c(c1)CC[C@@H](C(=O)NNC(=O)NCC1CC1)C2	900386333	RJXRDHLVTIDCTE-CQSZACIVSA-N	317.389	1.541	50	20	DDGD	
O=C(NCCc1ccncc1)NNc1cccc(-c2nn[nH]n2)c1	823224272	WAJKSGMXYYRACT-UHFFFAOYSA-N	324.348	1.131	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@]1(Cl)C[C@H]2CC[C@H]1O2	907030633	YZFNYQUNYIPFKC-IOASZLSFSA-N	322.792	1.614	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1cc(-c2nn[nH]n2)cs1	826449488	VOCQXCNFKBVPOR-UHFFFAOYSA-N	305.298	1.219	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]1C(=O)O)c1ccc(Cl)cc1Cl	739454096	QBTCZGSRBROXOC-JGVFFNPUSA-N	317.128	1.475	50	20	DDGD	
O=C1CC[C@@H]2[C@H]1[C@@H]2C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	905108859	XNVCOSZYHBICIR-PPOBMEROSA-N	316.401	1.575	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)COc2ccccc2O)s1	730779829	KPMRZPHEAJWCNM-UHFFFAOYSA-N	320.370	1.856	50	20	DDGD	
CNC(=O)Nc1ccc(C(=O)NN[C@H](C)C(F)(F)F)cc1	826943063	UQFLHBOROZJVQS-SSDOTTSWSA-N	304.272	1.623	50	20	DDGD	
CC(C)CCOc1ccc(NCc2ccc(B(O)O)o2)cc1	585012227	QCBMVIFAHJAEJM-UHFFFAOYSA-N	303.167	1.996	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@H](C)C[C@@H](C)O)cc(C#N)n1C	490844103	PJGGOQHZRVQMJX-KUIAZUQKSA-N	300.362	1.388	50	20	DDGD	
O=C(Cc1ccccc1F)NN=Cc1cccc(-c2nn[nH]n2)c1	737975151	UORGKVNVBSXOSF-UHFFFAOYSA-N	324.319	1.699	50	20	DDGD	
CC(C)C[C@H](NC(=O)O)C(=O)NNc1cnnc2ccccc12	736417557	VYUXRXCOCHDAPR-LBPRGKRZSA-N	317.349	1.755	50	20	DDGD	
N#C[C@@]1(c2nc(-c3ccc(B(O)O)cc3)no2)CC12CCCC2	585055341	XFWQZILSBHFMCY-MRXNPFEDSA-N	309.134	1.142	50	20	DDGD	
CC(C)Oc1ccc(CCNCc2ccc(B(O)O)cc2)cc1	585014124	IXZUKFXEYKOZHS-UHFFFAOYSA-N	313.206	1.486	50	20	DDGD	
C=C(C)CCNC(=O)NNC(=O)COc1cc(C)cc(C)c1	838661604	YVQDSZKVPOYSEH-UHFFFAOYSA-N	305.378	1.979	50	20	DDGD	
C[C@H](NCc1cccc(B(O)O)c1)[C@H]1CCCN(C2CCC2)C1	585034296	HQLGVVZWDDKYCZ-HOCLYGCPSA-N	316.254	1.109	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1ccc(F)cc1	905195972	GYZLZBYXAGKBGR-ZFWWWQNUSA-N	306.337	1.497	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CSC1CC1	837873679	AISJFRCHGJBWCK-SECBINFHSA-N	302.396	1.007	50	20	DDGD	
CC(C)N(C(=O)c1ccc(B(O)O)c(F)c1)C1CC(C)(C)C1	585001746	ZMDYZCSDFPHWHU-UHFFFAOYSA-N	307.174	1.545	50	20	DDGD	
CC[C@H](O)[C@@H](C)C(=O)NNC(=O)NCc1ccc(Cl)cc1	907644874	YFWQWTSGDBKXDH-SKDRFNHKSA-N	313.785	1.577	50	20	DDGD	
CNC(=O)c1ccc(C=NNC(=O)c2ccccc2OC)cc1	731488166	XKCPJDFFGAZDLV-UHFFFAOYSA-N	311.341	1.819	50	20	DDGD	
CN(NC(=O)c1cc2c(cc1O)OCO2)C(=O)OC(C)(C)C	838369915	LNRSVQODZZBFHF-UHFFFAOYSA-N	310.306	1.633	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(O)nc2cc(F)ccc12	739705913	DAVVHHGQTGMOEN-UHFFFAOYSA-N	306.297	1.434	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=C2CCO[C@@]23CCOC3)c1	901264367	BPTXVXGATJSUBO-OAHLLOKOSA-N	304.302	1.050	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NCCOC(C)C)cc1	836396268	DEKDOEBTDCBIQL-UHFFFAOYSA-N	310.354	1.456	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNC(=O)C(C)(C)c1ccccc1)C(C)C	731178534	YQKPFPZUWVCUQE-CQSZACIVSA-N	319.405	1.272	50	20	DDGD	
CC(C)[C@H](C)NC(=O)[C@H]1CSCN1S(=O)(=O)CCl	830509858	PACBJZNKDWJJCE-DTWKUNHWSA-N	314.860	1.048	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@H](O)C1CC1	834583903	IDVOCJNMTCAWPU-PRHODGIISA-N	312.753	1.026	50	20	DDGD	
C[C@@H]1CC[C@H](CNC(=O)NNC(=O)c2ccc(Cl)cc2)O1	838743820	ZRUYEKNUZQEIFU-BXKDBHETSA-N	311.769	1.852	50	20	DDGD	
CCS(=O)(=O)CCNC(=O)NNc1ccc(Cl)cc1F	916528898	CJTJLJKCQOXZEX-UHFFFAOYSA-N	323.777	1.540	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CN[C@@H](c1ccccc1)C(F)(F)F	910163911	SVKJSLQOECKEEO-MFKMUULPSA-N	319.327	1.223	50	20	DDGD	
C=CCN(CC=C)C(=O)COC(=O)/C(C#N)=C\c1cnn(C)c1	837968805	GOOARSZHKDDXES-ZSOIEALJSA-N	314.345	1.071	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@]1(C(=O)OC(C)(C)C)CC1(C)C	831854221	RQNNWFVXUUYIPD-HNNXBMFYSA-N	313.398	1.437	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1	914755981	DPTIWTZMAIISNQ-LBPRGKRZSA-N	303.362	1.233	50	20	DDGD	
CCS(=O)(=O)CCNC(=O)NNc1c(C)cccc1Cl	836368402	OWSAHADTDKTCAE-UHFFFAOYSA-N	319.814	1.709	50	20	DDGD	
C[C@H]1CCCCN1[C@H](C)CNC(=O)NNC(=O)CC(F)(F)F	918064196	BTKFOVZYQWSDGV-VHSXEESVSA-N	324.347	1.532	50	20	DDGD	
Cc1nn(C)c2ncc(C=NNC(=O)c3ccc(N)cc3)cc12	747602832	RHCCEMFRRLNSPL-UHFFFAOYSA-N	308.345	1.623	50	20	DDGD	
CCC(CC)[C@H](C(=O)NNC(=O)C1CCC1)N1CCOCC1	742071673	GUALPYVWVOPWDP-CQSZACIVSA-N	311.426	1.071	50	20	DDGD	
O=C(NNC(=O)c1ccncc1F)c1cccc([N+](=O)[O-])c1	741169390	MQIZQSBQPNVKOH-UHFFFAOYSA-N	304.237	1.204	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)[C@@H]1CCCS(=O)(=O)C1	845953867	PGRIGHMOMUDKFB-SNVBAGLBSA-N	300.355	1.402	50	20	DDGD	
COC(=O)/C=C/c1ccc(C=NNC(=O)[C@@H]2CCO[C@H]2C)o1	848412813	CTSJBUHRMJQUPP-MIDKUKIASA-N	306.318	1.341	50	20	DDGD	
CC(C)(C(=O)NNC(=O)OCC(F)(F)F)N1CCCCC1	912597417	UOQVJYGYDXOUPK-UHFFFAOYSA-N	311.304	1.571	50	20	DDGD	
COC(C)(C)CNC(=O)NNC(=O)c1cc2c(s1)CCC2	743674450	WTVRTLAQPDPHNN-UHFFFAOYSA-N	311.407	1.606	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=C1C[C@H](C)n2ncnc21	841609210	OSPNVIVIYXGKQB-JTQLQIEISA-N	323.360	1.421	50	20	DDGD	
CCCC(C)(C)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	845356146	CAWGDXTWCARVQF-NSHDSACASA-N	300.399	1.938	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C[C@H](CC#N)c1ccccc1	843654202	HFWFBWRQDJSJPS-AEGPPILISA-N	315.373	1.646	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@H]1Cc2ccccc21	740738981	WLZJXHPNPLLOMA-XJKSGUPXSA-N	324.336	1.314	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cn1	843643067	HKPPDQMACOWSCM-ZYHUDNBSSA-N	307.350	1.055	50	20	DDGD	
CCS[C@H]1CCCCN(CC(=O)NNC(=O)C(C)(C)C)C1	744399448	NBBVLWOUTCNEEB-LBPRGKRZSA-N	315.483	1.788	50	20	DDGD	
Cn1cc(/C=C(/C#N)c2nc(C3CC3)cs2)c(=O)n(C)c1=O	843273392	RHDSCQGADQRAOM-YHYXMXQVSA-N	314.370	1.482	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)nc1	747981514	IHMNFBOZKOLASA-UHFFFAOYSA-N	316.273	1.533	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2CCCN(C(N)=O)C2)cccc1[N+](=O)[O-]	748670232	QIRVEGKZTAJJRF-SNVBAGLBSA-N	321.337	1.137	50	20	DDGD	
O=C(NCc1cocn1)NNC(=O)c1ccc(Cl)cc1F	747503723	PIEWGGQCNJWEED-UHFFFAOYSA-N	312.688	1.611	50	20	DDGD	
C[C@H]1CC(=NNC(=O)Cc2nc3ccccc3n2C)c2ncnn21	841609872	GBGZRGXYXKWRIR-JTQLQIEISA-N	323.360	1.193	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2Cc3ccccc32)c1	740740094	OBUDZNXXLLENLU-MRXNPFEDSA-N	309.369	1.854	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@H](C)OCC(C)C)cc1	920805982	WYKRCQJFWMMNJT-LBPRGKRZSA-N	323.393	1.316	50	20	DDGD	
O=C(NCC1CNC1)NNC(=O)c1ccc(Cl)cc1Cl	841964753	NTWOKFDSDHGDFG-UHFFFAOYSA-N	317.176	1.157	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1ccc([N+](=O)[O-])[nH]1	920859855	MLFFXPYDBUJHDR-UHFFFAOYSA-N	323.334	1.171	50	20	DDGD	
CCN1C(=O)C(=NNC(=O)NCC2CC2)c2cc(C)ccc21	920828859	ICROJLMUTPPBIJ-UHFFFAOYSA-N	300.362	1.775	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc2c(c1)COC2	854280741	AXCDDPJNXYGAHA-UHFFFAOYSA-N	323.418	1.204	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](C)COCC1CCCCC1	925731184	RZFDTEYMXJYGPE-GFCCVEGCSA-N	315.414	1.339	50	20	DDGD	
CC(CC1CCCC1)=NNC(=O)N[C@H]1CCS(=O)(=O)C1	752728318	YTVPMGZMYVVPDK-LBPRGKRZSA-N	301.412	1.429	50	20	DDGD	
N#CSCCCNC(=O)[C@@]1(c2ccccc2)CNC(=O)C1	854360673	WEZINHCPWRWORF-OAHLLOKOSA-N	303.387	1.165	50	20	DDGD	
COC[C@H]1CCCN1C(=O)NNC(=O)CCCc1ccccc1	752006488	JHGPUCKUWDRKGJ-OAHLLOKOSA-N	319.405	1.861	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)[C@@H]1CCCN1C(=O)C1CC1	856094840	XGEUOJMXQVMRDN-NSHDSACASA-N	308.769	1.579	50	20	DDGD	
CC(C)OCCNC(=O)NNC(=O)Cc1ccc(Cl)cc1	754302734	ORJRNJNLQVXQNT-UHFFFAOYSA-N	313.785	1.638	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1ccc(C#N)cc1	750938388	CGLJUCDRNWTNKK-UHFFFAOYSA-N	310.313	1.421	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NC[C@@]1(C)C[C@H]1Br	856900869	ZAGQONRBQKWKDB-PRHODGIISA-N	320.231	1.927	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNc1ccc([N+](=O)[O-])cc1F	855623920	UOCUHEWJIDGNNK-SECBINFHSA-N	312.301	1.325	50	20	DDGD	
Cc1ccc(F)cc1C(=O)C(=O)NNc1cc(Cl)nc(N)n1	753456749	CNBBNPVQNOIDLA-UHFFFAOYSA-N	323.715	1.486	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCCO2)OCC(F)(F)F	856026867	PLJDHQHIFWGZIF-UHFFFAOYSA-N	320.223	1.391	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)NC1CC(F)(F)C1	759710194	BIENBNZCPUTFSG-UHFFFAOYSA-N	322.315	1.839	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@H](C(=O)NNc2ncc(Cl)cn2)C1	857355924	BVXNZPKIGCOWIP-DTWKUNHWSA-N	312.757	1.553	50	20	DDGD	
O=C(NN=Cc1c(O)cccc1Cl)C(=O)Nc1ccccn1	755769977	RWPVEVYBEAJJND-UHFFFAOYSA-N	318.720	1.529	50	20	DDGD	
CCC1(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)CC1	750489405	MDGWQMIVMTVSKV-UHFFFAOYSA-N	315.329	1.053	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)c1cnccn1	755338287	HJALOMVZOHHMTL-UHFFFAOYSA-N	316.277	1.160	50	20	DDGD	
CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)NNc1ncccc1F	852693139	FYHNZQFOIJBDKU-ABAIWWIYSA-N	324.356	1.969	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H](C)[C@@H]2CCOC2)c1C	853785568	FISIPHKIGATCLC-NWDGAFQWSA-N	321.377	1.833	50	20	DDGD	
CCN1C[C@H](C(=O)NC[C@@]2(C)C[C@@H]2Br)CC1=O	857398985	PUOMCZKNCRBKNO-VDDIYKPWSA-N	303.200	1.145	50	20	DDGD	
O=C(CN1CCC[C@@H](C2CCCCC2)C1)NNC(=O)C1CC1	852726173	VPLIBBTVIOYJOG-OAHLLOKOSA-N	307.438	1.836	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C1CCC1)c1ccc(S(C)(=O)=O)cc1	753300324	UBFDQOWTDYMOMW-JTQLQIEISA-N	324.402	1.141	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@H](C)c1nc2ccccc2s1	754703419	RDNNQWVEQQABBN-NXEZZACHSA-N	320.418	1.893	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)COC(F)(F)F)c(OC)c1	932128826	HOMGKSLGZSZLRJ-UHFFFAOYSA-N	322.239	1.001	50	20	DDGD	
CCO[C@@H]1CCCC1=NNC(=O)Cc1cc(O)nc(S)n1	766434729	RAKALFSNNRGEJI-SNVBAGLBSA-N	310.379	1.075	50	20	DDGD	
O=C(NNC(=O)c1scnc1C1CCCC1)c1cn[nH]c1	862471178	UDZMTKMHDYKEAF-UHFFFAOYSA-N	305.363	1.599	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC2(CC1)CNC(=O)C2	866904586	RPDOQKHMWJORSC-UHFFFAOYSA-N	322.858	1.183	50	20	DDGD	
O=C(C[C@@H]1OC(=O)c2ccccc21)NNC(=O)c1ccncc1	865890586	GHKGGIBSAWMTEI-ZDUSSCGKSA-N	311.297	1.144	50	20	DDGD	
CCC(C#N)(CC)C(=O)NNc1ccccc1S(C)(=O)=O	860197093	PGAISSRJQSUCKW-UHFFFAOYSA-N	309.391	1.863	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@@H](O)C1CCCCC1	863101075	HHPYSBMAJFJYBD-QMMMGPOBSA-N	304.259	1.746	50	20	DDGD	
COC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)c2cc(C)cs2)C1	862476220	MLCHYLXRRNBLIW-MNOVXSKESA-N	324.402	1.797	50	20	DDGD	
CN1CCCc2cc(CNCc3cccc(B(O)O)c3)ccc21	863889214	VJUSKVFLDWTTBU-UHFFFAOYSA-N	310.206	1.039	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1ccccc1C(C)(C)C	768495220	SLJYMCNNZXCFTP-UHFFFAOYSA-N	313.423	1.839	50	20	DDGD	
CO[C@]1(CNC(=O)NNc2cc(Cl)ccn2)CCOC1	763711735	ARHFPHNQIQBDEH-LBPRGKRZSA-N	300.746	1.167	50	20	DDGD	
CCCCC1CCC(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1	862450629	XYVVQAWPNYUHJH-BPCQOVAHSA-N	309.410	1.409	50	20	DDGD	
CN(Cc1ncc[nH]1)C(=O)NC[C@@]1(C)C[C@@H]1Br	868795745	OTTUMFJZRUPILY-GZMMTYOYSA-N	301.188	1.725	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc(-c2ncn(C)n2)cc1)C(F)(F)F	862315879	GSOZNQZPIMIVGY-MRVPVSSYSA-N	313.283	1.667	50	20	DDGD	
O=C(NN=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc[nH]1	766002335	NGBOVBMMCPRXFV-UHFFFAOYSA-N	303.234	1.595	50	20	DDGD	
CC(=O)N1CCC(C(=O)NNc2ncnc3ccsc23)CC1	766679257	TZKGTJJDZZHRDM-UHFFFAOYSA-N	319.390	1.393	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CC2OCCCO2)c(C)c1	873759140	IQUKWALXLXTZMF-UHFFFAOYSA-N	323.418	1.774	50	20	DDGD	
NC(=O)[C@H](Cc1ccc(Cl)cc1)NNC(=O)c1ccccn1	760575904	FSHRADXIJSBYCN-ZDUSSCGKSA-N	318.764	1.066	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@H](F)Cc1ccccc1	777990722	OJABDWBDGBJKDB-CQSZACIVSA-N	301.321	1.352	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCO[C@@H](C(C)C)C2)c1	778242249	UBQDCAPVILAHOR-OAHLLOKOSA-N	319.405	1.113	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])c1	776346162	FGKADTFAWGJWAS-VHSXEESVSA-N	309.322	1.862	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H]2NC(=O)O[C@@H]2C)c1	873757452	ZPKBPOQQLQPCEZ-MWLCHTKSSA-N	322.390	1.118	50	20	DDGD	
CC(=NNC(=O)c1cccc(S(C)(=O)=O)c1)[C@H]1CCCOC1	779772558	IULFJTIPTQRCAP-ZDUSSCGKSA-N	324.402	1.622	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)NOC1CCOCC1	773533127	KUUMUQTVKWZDMT-UHFFFAOYSA-N	318.333	1.223	50	20	DDGD	
COCCN(C)NC(=O)Nc1cnc(Br)cc1C	878902079	KKPLRHURFKUHPX-UHFFFAOYSA-N	317.187	1.767	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)c2nc3ccccc3s2)CCO1	874914060	JLQDMBLZAPAUPB-ZJUUUORDSA-N	319.386	1.872	50	20	DDGD	
CON=CC(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	774355049	PXIWSMTXDQPYQM-UHFFFAOYSA-N	306.200	1.689	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2CCN(C)c3ccccc32)n1	1117127693	RCBAPQBAAUVMCI-UHFFFAOYSA-N	311.389	1.860	50	20	DDGD	
CN(CCOCCN)C(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	877056085	IIMHXETXMGITIB-GMXVVIOVSA-N	319.243	1.374	50	20	DDGD	
CCc1ccc(O)c(C(=O)NNC(=S)NCCSC)c1	770239130	GSYNCTUMUKIOQS-UHFFFAOYSA-N	313.448	1.427	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(C(F)(F)F)nn2)cc(O)n1	777426365	VYJHALUENSQFIF-UHFFFAOYSA-N	313.239	1.661	50	20	DDGD	
O=C(NNC(=O)c1c(O)cccc1O)c1cccc([N+](=O)[O-])c1	770388531	AIDKCKNNDNOIBI-UHFFFAOYSA-N	317.257	1.081	50	20	DDGD	
COc1nc(C)ccc1C(=O)NNc1ccnc(N(C)C)n1	777524461	ZKNACLDTGUYRMP-UHFFFAOYSA-N	302.338	1.012	50	20	DDGD	
CC[C@@H](C)n1nc(C(=O)NNC(=O)c2ccccc2O)cc1C	778505288	XDZAXBYBFHSTJJ-SNVBAGLBSA-N	316.361	1.943	50	20	DDGD	
C#C[C@H](NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C)[C@H]1CCCO1	775339763	ISSYWDWFYOGZBO-HUIKVCRJSA-N	322.368	1.409	50	20	DDGD	
Cn1ccnc1CCNC(=O)[C@@H](Br)C(C)(C)C	1123923002	XREDUJAOWGEOBO-SNVBAGLBSA-N	302.216	1.888	50	20	DDGD	
CC(C)c1nccn1CC(=O)NNC(=O)c1cccc(C#N)c1	779777247	OMRSIDOMLXGXIX-UHFFFAOYSA-N	311.345	1.339	50	20	DDGD	
Cc1nocc1NC(=O)NNC(=O)c1cc2c(s1)CCC2	888735426	MURMXWOKEGTGJF-UHFFFAOYSA-N	306.347	2.000	50	20	DDGD	
CC(C)[C@@H]1C[C@H](NC(=O)NNC(=O)CC(F)(F)F)CCO1	772620990	RFEIWSKIYSVKKB-BDAKNGLRSA-N	311.304	1.473	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)Nc2ccncn2)cc1	770764395	UWANQNDZGWHTJJ-UHFFFAOYSA-N	315.333	1.271	50	20	DDGD	
N#CCNCc1cn([C@@]2(Cl)C[C@H]2CCBr)nn1	881382994	RYQRBAOWZJOKHZ-SCZZXKLOSA-N	318.606	1.588	50	20	DDGD	
N#CCNCc1cn([C@@]2(Cl)C[C@@H]2CCBr)nn1	881382996	RYQRBAOWZJOKHZ-WPRPVWTQSA-N	318.606	1.588	50	20	DDGD	
COCCOCCCNC(=O)[C@@H](Br)C(C)(C)C	781069916	GXWNOGNJVUECLL-SNVBAGLBSA-N	310.232	1.965	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc(COCCOC)c1	785840716	ZPIGUVFKAIUWQI-UHFFFAOYSA-N	324.381	1.547	50	20	DDGD	
CCCCCC[C@H](CC)C(=O)NNC(=O)N1CCN(C)CC1	788167217	YPHPZXAJNMTGBO-AWEZNQCLSA-N	312.458	1.971	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)[C@@H]1CCCS(=O)(=O)C1	885141725	KRTDLYGVHOOYMC-MRVPVSSYSA-N	304.318	1.233	50	20	DDGD	
Cn1nnc(CNC(=O)NNc2ccc(C(C)(C)C)cc2)n1	787437422	RRJAZGHSWKBXQB-UHFFFAOYSA-N	303.370	1.334	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cccnc1-c1cnn(C)c1	887148992	FGMSZKNNWPGXMH-UHFFFAOYSA-N	311.345	1.047	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(F)cn2)cc1OC	783699443	IXSDOTGRUHSVFR-UHFFFAOYSA-N	319.292	1.313	50	20	DDGD	
O=C(CO)NN=C1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]12	781125582	ZSKZGWXDXDGTNH-HUUCEWRRSA-N	301.390	1.383	50	20	DDGD	
CC(C)C[C@H]1C(=O)NCCN1S(=O)(=O)CCCCCl	782483726	SDZWPKPUCRPIJL-NSHDSACASA-N	310.847	1.182	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)CO1	784150559	UZRJSNLRMQUBMQ-QWRGUYRKSA-N	306.366	1.330	50	20	DDGD	
C[C@H](CN1CCOCC1)N(C)CCI	789336092	UOWWHVWOLRHHBU-SNVBAGLBSA-N	312.195	1.074	50	20	DDGD	
CN(C)c1ccc(C(=O)NNc2ccc(-n3ccnc3)nn2)cc1	788177271	DEAJIWDTHYAPOQ-UHFFFAOYSA-N	323.360	1.485	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCc2ccncc2)c1	780843308	OQQIDGJRXOLRJU-UHFFFAOYSA-N	314.345	1.737	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2	788223383	IODQNQKKMHHTDQ-SRVKXCTJSA-N	323.418	1.603	50	20	DDGD	
Cn1cc(-c2ncccc2NC(=O)NNC(=O)CC2CC2)cn1	786210297	JLZOLLRXVHFMLP-UHFFFAOYSA-N	314.349	1.435	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2Cc3ccc(F)cc32)n1	793600834	YXXSJNVWCDBAJW-LBPRGKRZSA-N	302.309	1.716	50	20	DDGD	
COc1cc2c(cc1/C=C(\C#N)S(=O)(=O)N(C)C)O[C@H](C)C2	794957849	IHZQMDOHKZSFSW-KUKWCLJQSA-N	322.386	1.774	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1ccc(N)c([N+](=O)[O-])c1	799111866	WWYWUCGJLLNZGE-SNVBAGLBSA-N	324.337	1.069	50	20	DDGD	
Cc1cccc(NC(=O)NCC(=O)NNc2ncccc2C)c1	791224373	FEEGDROXTNJCTK-UHFFFAOYSA-N	313.361	1.963	50	20	DDGD	
CC(C)(C)c1ccc(CSCC(=O)NNC(=O)CO)cc1	897606301	NQQXGAPGODTWJO-UHFFFAOYSA-N	310.419	1.357	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)c1c2c(nn1C)CCC2	898700129	LHWOYGSYWDPAJW-UHFFFAOYSA-N	304.325	1.813	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)CC1(C)CC1	795168660	RVADQOMVRRBAET-UHFFFAOYSA-N	311.407	1.570	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cccnc1C(F)(F)F	791248041	HLOPBONTPLHQSL-UHFFFAOYSA-N	322.250	1.900	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1c(F)cc(F)cc1F	798313327	DODXRGIFUWQYNX-UHFFFAOYSA-N	315.173	1.610	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)Cc2c(C)noc2C)n1	793220387	OFWMLQAICWGWAA-UHFFFAOYSA-N	317.349	1.481	50	20	DDGD	
CNC(=O)[C@]1(C)CCN(C(=O)[C@H](Br)C(C)(C)C)C1	797774695	QHXKIHSHPAFPBE-TVQRCGJNSA-N	319.243	1.781	50	20	DDGD	
Cc1noc(C)c1C(C)(C)NCC(=O)NNC(=O)C(C)(C)C	796671207	HQIAPLMTFHJSHB-UHFFFAOYSA-N	310.398	1.310	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1OC	793197813	FWXVWHUGVQYKEP-UHFFFAOYSA-N	310.310	1.348	50	20	DDGD	
CC(=NNC(=O)NCC1CC1)c1ccc2c(c1)OCC(=O)N2	794903820	PQCOCGPQKYIJEL-UHFFFAOYSA-N	302.334	1.451	50	20	DDGD	
Cc1nnc(NNC(=O)Cc2cccc(C(F)F)c2)nc1O	790493813	BNMHTIPHBJCLHL-UHFFFAOYSA-N	309.276	1.509	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2c[nH]c3cccnc23)c1	791194484	DYYTZWUBORQXJM-UHFFFAOYSA-N	323.356	1.704	50	20	DDGD	
Cc1nc(=NS(=O)(=O)c2ccc(CCCl)cc2)n(C)[nH]1	758432389	MWPWCPKNQUXSLE-UHFFFAOYSA-N	314.798	1.128	50	20	DDGD	
Cc1ccc(C(=O)N2CC[C@H](B(O)O)C2)cc1Br	585068501	COEADKLNXOTZTN-JTQLQIEISA-N	311.972	1.446	50	20	DDGD	
COCC(=O)NCCC(=O)NNc1c(C)cccc1C(C)C	1327624107	CLVDYNSLOIESDY-UHFFFAOYSA-N	307.394	1.714	50	20	DDGD	
C[C@H](C[S@](C)=O)NC(=O)NNc1ccc(C(C)(C)C)nn1	1320334332	RHZWEKJZPQEVOX-BTKVJGODSA-N	313.427	1.167	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Nc2ccnn2C(C)C)cc1	1323811442	LTCPLSGKUAPFJG-UHFFFAOYSA-N	317.349	1.939	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H]1CCC[C@@H](F)C1	1326732050	DOZVMMHMNZAFCO-GHMZBOCLSA-N	309.341	1.920	50	20	DDGD	
Cc1c(C#N)cccc1C(=O)NNC(=S)N[C@@H](C)C1CC1	1329290492	GEGSHKAELJVODS-JTQLQIEISA-N	302.403	1.774	50	20	DDGD	
Cc1ccc(-n2cc(NC(=O)NNC(=O)CCO)cn2)c(C)c1	1320606556	FCVKQYZGFTYMRR-UHFFFAOYSA-N	317.349	1.024	50	20	DDGD	
C[C@H](c1ccccc1)n1ccc(NC(=O)NNC(=O)CCO)n1	1320400374	AELHWLZOAKLAIJ-LLVKDONJSA-N	317.349	1.028	50	20	DDGD	
Cn1ccc(NNC(=O)CCCc2ccc3nc(O)[nH]c3c2)n1	1321394290	WZRAKWPQYUGHFU-UHFFFAOYSA-N	314.349	1.468	50	20	DDGD	
CC(C)Cn1cccc(C(=O)NNC(=S)NC(C)C)c1=O	1335475218	MTWKAQNXJAHMDQ-UHFFFAOYSA-N	310.423	1.022	50	20	DDGD	
N#Cc1c(CCCNC(=O)CCl)nn(-c2ccccc2)c1N	1253962836	DGNKEOILSOXXKN-UHFFFAOYSA-N	317.780	1.614	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccc(F)c(F)c1	1349432679	JXHIUVAABVFXDX-IQJOONFLSA-N	312.316	1.641	50	20	DDGD	
Cn1cc(N2CC[C@H](NC(=O)C3CCC(Cl)CC3)C2)cn1	1346529292	CJMYUNLJKFVOSE-BPCQOVAHSA-N	310.829	1.913	50	20	DDGD	
CC(C)[C@H](O)C(=O)NNC(=O)c1ccc(Br)cc1	1347468246	SUZDRIODSIJQIM-JTQLQIEISA-N	315.167	1.227	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@@H]2C[C@H](C)O[C@H]2C)cc1	1348482919	NUPGKXGXFWZNLV-GVXVVHGQSA-N	321.377	1.453	50	20	DDGD	
Cc1sc(C(=O)NNc2ccc(CC(=O)O)cc2)nc1O	1608059993	YCAFNXUUIZCQRT-UHFFFAOYSA-N	307.331	1.541	50	20	DDGD	
O=C(O)c1coc(C(=O)NNc2ccc([N+](=O)[O-])cc2F)c1	1608986553	LQTXPHOPKOVVDX-UHFFFAOYSA-N	309.209	1.782	50	20	DDGD	
C[C@H]1SCCC1=NNC(=O)c1cccc(-c2nn[nH]n2)c1	1603957213	VJVSPSRUXFTOGJ-MRVPVSSYSA-N	302.363	1.478	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)c1cccc(CO)c1	1601559920	GJODINKTGJNBFB-UHFFFAOYSA-N	304.277	1.773	50	20	DDGD	
Cc1cccnc1C(=O)NN=C1CCN(CCCC(=O)O)CC1	1600590253	VNIFKKUGSBKAOJ-UHFFFAOYSA-N	318.377	1.436	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1O)c1c[nH]c(C(=O)O)c1	1601555320	VPFNBMJAFRCWCF-UHFFFAOYSA-N	323.692	1.147	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)ccc1C(=O)O	1607690553	KKFIZUTUPQEYBX-CABZTGNLSA-N	321.333	1.413	50	20	DDGD	
NC[C@@H](NC(=O)NNc1ccc(F)c(C(=O)O)c1)C(F)(F)F	1608251756	FBLWWSSZEOSKSY-MRVPVSSYSA-N	324.234	1.040	50	20	DDGD	
C[C@@H](Oc1ccccn1)C(=O)NNc1cccc(C(=O)O)c1	1604448570	BGYQMEPRPLLCAP-SNVBAGLBSA-N	301.302	1.690	50	20	DDGD	
Cc1ccc(C(=O)O)cc1NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	1600359208	BJTKBJMHDZISFO-CABZTGNLSA-N	321.333	1.413	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)Cc2cccc(O)c2)cc1	1608781206	SUJAAARJLHVPPX-UHFFFAOYSA-N	300.314	1.705	50	20	DDGD	
CC(CCc1ccccc1)=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549317223	WAOXWODJSSVODW-IAGOWNOFSA-N	315.417	1.975	50	20	DDGD	
Cc1nn(C)c(NC(=O)NNC(=O)CCCCCN)c1Cl	1579891627	PYPXCYQCQKPXJV-UHFFFAOYSA-N	316.793	1.054	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2cnc(N)s2)cc1	1579735693	ZGOCUAARCVQKTR-UHFFFAOYSA-N	322.415	1.587	50	20	DDGD	
COc1ccc(Br)c(NNC(=O)C2CNC2)c1	1579185368	DBAZJGZOIDDFND-UHFFFAOYSA-N	300.156	1.120	50	20	DDGD	
COC(=O)CC[C@@H](N)C(=O)NNc1ncc(Cl)cc1Cl	1578810015	VQHRBJPDTOSAOF-MRVPVSSYSA-N	321.164	1.112	50	20	DDGD	
C[C@H](C(=O)O)C(=O)NNC(=O)Cc1ccc2ccccc2c1	1588573789	KFODKSDBSZQRIO-JTQLQIEISA-N	300.314	1.250	50	20	DDGD	
NOCCCNC(=O)[C@]1(c2ccccc2)C[C@H]1Br	1580359190	ORONCKGEULMCRK-YPMHNXCESA-N	313.195	1.488	50	20	DDGD	
CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1cc(C)nn1C	1588775860	LQXVGAIGEKPVGF-UHFFFAOYSA-N	324.348	1.063	50	20	DDGD	
O=C(c1ccccc1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl	1847566190	NMWOJYVPLVZLKR-MELADBBJSA-N	322.792	1.102	50	20	DDGD	
COc1cccc(CC(=O)NNc2ccc(C(=O)O)cc2F)n1	1599664624	LCVWMIQNGNQKTF-UHFFFAOYSA-N	319.292	1.613	50	20	DDGD	
CC(C)(CC=NNC(=O)Cc1cn2ccccc2n1)C(=O)O	1590653703	FANMSJVEQIAOCW-UHFFFAOYSA-N	302.334	1.480	50	20	DDGD	
CC[C@H](NNC(=O)COc1cccc(C(F)(F)F)c1)C(=O)O	1595305735	LZEAMRJUNKXZPA-JTQLQIEISA-N	320.267	1.568	50	20	DDGD	
C[C@@H](CC(=O)O)CC(=O)NNc1c(F)c(F)nc(F)c1F	1592391432	KWHXTOZQXTYLSD-SCSAIBSYSA-N	309.219	1.582	50	20	DDGD	
Cn1ncc(C(=O)O)c1C=NNC(=O)CCc1ccccc1	1594579085	MYYBMRVTCCISME-UHFFFAOYSA-N	300.318	1.201	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cc(C(=O)O)nn1C	1776119635	HFQQHUWDAULSED-FXHRJKFWSA-N	316.361	1.720	50	20	DDGD	
Cn1cc(C(=O)O)cc1C=NNC(=O)c1cccc(Cl)n1	1776092404	LCLMKHBBKZLQOQ-UHFFFAOYSA-N	306.709	1.536	50	20	DDGD	
COCCCNC(=O)NN=Cc1cccc(O[C@@H](C)C(=O)O)c1	1776039445	ZEYIVVXHWLWXLM-NSHDSACASA-N	323.349	1.208	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nn1cnc2sc(C)c(C)c2c1=O	18989928	PLRNNDZUJCZKAY-UXBLZVDNSA-N	318.358	1.589	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccnc1)c1c(F)cccc1F	161973935	QJMMIFHZDMSTCU-SECBINFHSA-N	305.284	1.925	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)N1C[C@H]2CCC[C@H]2C1	158946341	JLOVMAJXAXUYGP-OKILXGFUSA-N	317.389	1.928	50	20	DDGD	
CCC(=O)N1CC[C@H](NC(=O)NNC(=O)c2ccc(C)s2)C1	151598135	LDEOSFKFBUBNFV-JTQLQIEISA-N	324.406	1.011	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)o1	151621456	UFPBFYXZFHYOPC-UTUOFQBUSA-N	307.350	1.490	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)[nH]n1	152980088	ZOEHKALLQFJXRA-BDAKNGLRSA-N	318.299	1.848	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@H](C)N2CCC[C@H](C)C2)nc1	157252562	NFBSUANXLCWJAU-STQMWFEESA-N	321.425	1.837	50	20	DDGD	
COC(=O)[C@H]1CCC[C@@H](C(=O)NNc2ccc(C#N)cc2)C1	155499542	GGUSGVZDKBGJKF-OLZOCXBDSA-N	301.346	1.981	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NC[C@@H]1CSCCS1	493501672	YBWLENUVPSDJHF-MRVPVSSYSA-N	307.441	1.574	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CCn2cc(C)cn2)cc1	102890777	NXRNIJUCXLHNDF-UHFFFAOYSA-N	315.377	1.150	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)Cn1ccccc1=O	101523770	BDROKPUZFOVAMR-UHFFFAOYSA-N	304.258	1.371	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccc3[nH]cnc3c2)c1	103525246	YOWXQCJXUFWXTH-UHFFFAOYSA-N	305.297	1.509	50	20	DDGD	
Cc1ccsc1C(=O)OCC(=O)NNC(=O)c1cccs1	10647361	WDJNPJSGRIZAFD-UHFFFAOYSA-N	324.383	1.736	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H]1C[C@@H]1C1CC1	175823782	GFBKJQUPFLZNIR-KGLIPLIRSA-N	302.374	1.821	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1ccccc1)NC(=O)C1CCCC1	171348416	MESUFDSEJJWSPW-LBPRGKRZSA-N	317.389	1.533	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccc[nH]1)N1CCc2ccccc2C1	111542256	CBQIQJAFYOWWNM-LBPRGKRZSA-N	312.373	1.223	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCN(C(C)C)C2=O)s1	114786896	XFFWFPJFPNLPLU-SNVBAGLBSA-N	324.406	1.010	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)C(C)(C)C)Oc1ccccc1F	176586906	MAUYQIPFMNUCMF-JTQLQIEISA-N	311.357	1.970	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NCCn1cccn1	114971725	PZLKYRBQUGEQTF-UHFFFAOYSA-N	315.377	1.236	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(C(N)=O)nc2)nn1	118527179	IYZMRABOSULLNG-UHFFFAOYSA-N	314.349	1.025	50	20	DDGD	
Cc1ccccc1-n1cc(C(=O)NNC(=O)c2cccnc2)cn1	66370277	USQOEGHRKXFHSX-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
CCCCN1CCCC[C@@H]1CNC(=O)NNC(=O)COCC	66704564	XJQPNQQCIRQRTJ-CYBMUJFWSA-N	314.430	1.008	50	20	DDGD	
CC[C@@H](C)[C@H](C)NC(=O)NNC(=O)Cc1cn2ccccc2n1	175380437	XAZHJZKPHCXLHG-NEPJUHHUSA-N	317.393	1.642	50	20	DDGD	
CCN(C[C@H]1CCCO1)C(=O)NNC(=O)c1ccc(C)s1	126370799	SSPUMUSPNCHVNT-LLVKDONJSA-N	311.407	1.912	50	20	DDGD	
CCCNC(=O)N/N=C1\C(=O)Nc2cc3c(cc21)OCCCO3	65998561	HNKNZFPXBLPNKJ-UHFFFAOYSA-N	318.333	1.213	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1n[nH]c2ccccc12	67438523	HBVPHFSMNWSUGP-UHFFFAOYSA-N	310.313	1.646	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Nc2ccc3ncsc3c2)cn1	183832415	DKVOLRHBBFLMKA-UHFFFAOYSA-N	316.346	1.496	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Nc2cnn(CC3CC3)c2)cc1	186297599	RHJMOLLSDFRDSY-UHFFFAOYSA-N	324.344	1.631	50	20	DDGD	
COc1cccc(NNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)n1	180700211	GXYSTIOHEYAWNZ-NSHDSACASA-N	318.377	1.324	50	20	DDGD	
COCCOc1cc(C(=O)NNc2ccc(C#N)cc2)ccn1	180783758	RNYHUSRDFYFJJC-UHFFFAOYSA-N	312.329	1.735	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)n1	182789244	BXUJHMXLFBOHPX-JVHMLUBASA-N	323.784	1.551	50	20	DDGD	
CC(=O)NNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2	75477910	ILDKKXLUXPAIEI-UHFFFAOYSA-N	302.309	1.281	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NC[C@@]1(O)CCSC1	183436725	UTBFQECUVXMHTK-XCHKQJEOSA-N	306.362	1.717	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)COc1ccc(Cl)cc1	70718175	SRTFEEPOLGFBIN-UHFFFAOYSA-N	307.737	1.519	50	20	DDGD	
O=C(NNc1ccccn1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	181190280	VARDDMUCXVEUSL-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCCCCC2CCCC2)cn1	76469649	HMVAQWUXNGBZOE-UHFFFAOYSA-N	307.398	1.725	50	20	DDGD	
C[C@H](Oc1ccccc1)C(=O)NNC(=O)c1ccc(Cl)nc1	77248619	XWCCVBPYGUWCQI-JTQLQIEISA-N	319.748	1.964	50	20	DDGD	
N#Cc1csc(C(=O)NNC(=O)CNc2ccccc2)c1	84382889	FZDFIIGZUKGPNU-UHFFFAOYSA-N	300.343	1.493	50	20	DDGD	
C=CCNc1ncc(C(=O)NNc2nccc(OC)n2)s1	136146315	ZPWWIUYGKTUYCN-UHFFFAOYSA-N	306.351	1.297	50	20	DDGD	
CCC(CC)N1C[C@@H](C(=O)NNC(=O)c2ccccc2)CC1=O	192498607	TUJPQVPDXPPSMQ-ZDUSSCGKSA-N	317.389	1.485	50	20	DDGD	
CC(=O)NNc1ccc(S(=O)(=O)Nc2nccs2)cc1	81461337	ZOSMMWIXENRRGJ-UHFFFAOYSA-N	312.376	1.407	50	20	DDGD	
CCC[C@H]1C[C@@H](C(=O)NNc2nc3ccccn3n2)CCO1	191912598	LODKQSFUNSTRKF-RYUDHWBXSA-N	303.366	1.768	50	20	DDGD	
O=C(NCCSC(F)(F)F)NNc1nc2ccccn2n1	191287268	NRVRAWYRXDMZJI-UHFFFAOYSA-N	320.300	1.608	50	20	DDGD	
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)C(C)(C)C	130810566	LFKFMZQESDKCKJ-UHFFFAOYSA-N	308.338	1.468	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCCOC2CCCC2)o1	84155576	WWCLMWZWNJOIGD-UHFFFAOYSA-N	309.366	1.881	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccccc1)N(C)CC(F)(F)F	192117816	ABIDMPXKXQCJEK-SECBINFHSA-N	303.284	1.330	50	20	DDGD	
Cn1cnc(CNC(=O)NNc2ccc(Cl)cc2Cl)n1	92377311	BTZQONCMBZNAQM-UHFFFAOYSA-N	315.164	1.948	50	20	DDGD	
CC(C)Cn1ncc(C(=O)NNC(=O)NC(C)C)c1C1CC1	92283134	VYZDEXIERLVLDT-UHFFFAOYSA-N	307.398	1.769	50	20	DDGD	
COc1cc(C=NNC(=O)c2cc(C)n[nH]2)cc(OC)c1OC	254565618	CULKLZBSGQSTIR-UHFFFAOYSA-N	318.333	1.508	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)c2ccccc2)CCOCC1	266703124	FSCSFFPLYJKGKD-UHFFFAOYSA-N	305.378	1.837	50	20	DDGD	
COCC[C@H](C)NC(=O)NNC(=O)COc1cc(C)cc(C)c1	263734578	NMHDPKHJUCGPBU-ZDUSSCGKSA-N	323.393	1.438	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)COc1ccc(C#N)cc1)C1CC1	263903039	RRJNKAUADCPJBZ-SNVBAGLBSA-N	318.402	1.231	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)C2CCC2)[nH]c(C)c1C(=O)OC	264754717	LSGDXZSSPCNWTB-UHFFFAOYSA-N	321.377	1.623	50	20	DDGD	
C[C@@H]1CCC[C@H]1NC(=O)NNC(=O)[C@H]1COc2ccccc2O1	264310795	LUENOXKWWDZPTM-JTNHKYCSSA-N	319.361	1.345	50	20	DDGD	
CO[C@@H](C)C(=O)NNc1nc(-c2ccccn2)nc2c1CCC2	267226948	VHUMHSYZTKKTAR-JTQLQIEISA-N	313.361	1.505	50	20	DDGD	
O=C(NCCN1CCSCC1)NNc1c(F)cccc1F	265439266	KIWLDJADWBFBEK-UHFFFAOYSA-N	316.377	1.640	50	20	DDGD	
COc1cccc(C(=O)NNC(=S)N[C@H](C)C2CC2)c1OC	264037268	HBHLQTPMMLPHME-SECBINFHSA-N	323.418	1.611	50	20	DDGD	
COc1ccc(NNC(=O)Cc2ccc(OC)c(OC)c2)nc1	275461742	DIZKOBRCLLMGRL-UHFFFAOYSA-N	317.345	1.793	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1nc2c(s1)COCC2	274151867	DUFZYWUHDLFYPS-UHFFFAOYSA-N	314.367	1.777	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@]2(C)CCCOC2)n1	272646823	DRNAIRZBGPSYDX-HNNXBMFYSA-N	307.398	1.583	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cc(NC(C)=O)ccc1OC	273335519	OUUNGUFEBGRSEI-SECBINFHSA-N	322.365	1.852	50	20	DDGD	
CSCCc1ccc(NC(=O)C(=O)NNC(=O)C2CC2)cc1	274073894	POHGYJFUQUQNJW-UHFFFAOYSA-N	321.402	1.088	50	20	DDGD	
CN(C(=O)/C(C#N)=C\c1ccc(O)cc1)[C@H]1CCCCNC1=O	366011621	NVZVRLLJAFAEKW-WVUXNXBLSA-N	313.357	1.426	50	20	DDGD	
C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)NNC(=O)c1ccc[nH]1	365814740	SJCOAGPBYRJANA-TVQRCGJNSA-N	300.318	1.481	50	20	DDGD	
COCc1nc(C(=O)NNc2nnc(C3CC3)s2)cs1	273552789	CICPRGNWTYDLGZ-UHFFFAOYSA-N	311.392	1.775	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)[C@H](c2ccccc2)C2CC2)CC1	278517041	BPTDHGWISHMWAI-OAHLLOKOSA-N	316.405	1.168	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(OC)c(NC(C)=O)c1	273306520	GTKOMZXASJUZJJ-SECBINFHSA-N	322.365	1.852	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(Cl)c2)CCO1	271254757	JRGHEXOEIIMDQT-CABZTGNLSA-N	311.769	1.852	50	20	DDGD	
COCCC[C@H](C)C(=O)NNC(=O)COc1ccccc1F	272123774	SZLMUITXIFSLNT-NSHDSACASA-N	312.341	1.415	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1cccnc1-n1cncn1	274179456	JSOVEPYUZCGJEI-UHFFFAOYSA-N	319.325	1.224	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@H]1CCC1(C)C	287422932	QXGQLEQIMOACDM-ZDUSSCGKSA-N	305.378	1.757	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CCC2CC2)cc1C	280849719	AFZADQVBYMQBNV-UHFFFAOYSA-N	303.362	1.580	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccnc1-c1cnn(C)c1	373635189	RDTJTYFTDZYXEY-UHFFFAOYSA-N	317.353	1.180	50	20	DDGD	
CCC1CC(=O)C(=CNNC(=O)c2cccc(C)n2)C(=O)C1	280981242	MAEZASGLFKHTIV-UHFFFAOYSA-N	301.346	1.467	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2OCCc3ccccc32)n1	373715817	YXAINBJTKQEWFT-OAHLLOKOSA-N	311.341	1.465	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cnc(COC)s2)cc1	285081626	LEYWGUONTXTIMJ-UHFFFAOYSA-N	319.386	1.927	50	20	DDGD	
O=C(Cc1csc(N2CCCC2=O)n1)NCC(Cl)Cl	288256214	PIZIDHFTFSVBCQ-UHFFFAOYSA-N	322.217	1.732	50	20	DDGD	
CSSCCNC(=O)c1ccc(CS(C)(=O)=O)cc1	283897053	CWDTVPCBHOXAAM-UHFFFAOYSA-N	319.473	1.972	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCC1([S@@](C)=O)CCC1	281676501	ZSCQTSQKRRBUEO-JOCHJYFZSA-N	323.418	1.240	50	20	DDGD	
C[C@@H]1CC=CC[C@H]1C(=O)NNC(=O)CNC(=O)c1cccs1	284558367	FMLOXRUDPQSYIT-GHMZBOCLSA-N	321.402	1.228	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2C[C@@]2(C)C(C)C)cc1	282628797	FRYUPYCKHYKFMC-GUYCJALGSA-N	317.389	1.763	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1cn(C2CCOCC2)nn1	291426548	ZLRZYQOSAUBJOI-UHFFFAOYSA-N	319.340	1.834	50	20	DDGD	
COCCn1cc(NC(=O)NNc2nc(C)cc(C)n2)cn1	298943199	FNBKBQKBLWHYPE-UHFFFAOYSA-N	305.342	1.085	50	20	DDGD	
CC(C)(C)[C@H]1CN(S(=O)(=O)CBr)CCO1	709061346	FODSNYQTABXQGH-MRVPVSSYSA-N	300.218	1.416	50	20	DDGD	
COc1ccc(NNC(=O)C[C@H]2COc3ccccc3O2)nc1	294909588	BKIGZAHUPNXVFK-LBPRGKRZSA-N	315.329	1.763	50	20	DDGD	
O=C(NCCCOC(F)F)NNc1ncnc2ccsc12	801071977	DYASESUQGRQEIA-UHFFFAOYSA-N	317.321	1.947	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)c3cnc[nH]3)cc2C1	299682588	WEKFIIDJXPJQHE-QMMMGPOBSA-N	304.375	1.671	50	20	DDGD	
Cc1ccc(OCCCNC(=O)NNC(=O)[C@@H]2CCCO2)cc1	291962272	VJYRRBUIJXTBHL-AWEZNQCLSA-N	321.377	1.273	50	20	DDGD	
O=C(COCc1cccnc1)NNc1ccccc1[N+](=O)[O-]	805155595	KYBWBTNEEGKTKE-UHFFFAOYSA-N	302.290	1.650	50	20	DDGD	
CC(C)(CCC(=O)NNC(=O)c1ccc(C#N)cc1)[N+](=O)[O-]	294686640	KIBNBQKHMNPDRY-UHFFFAOYSA-N	304.306	1.155	50	20	DDGD	
O=C(NC[C@H]1CCCS(=O)(=O)C1)NNc1ccc(F)cc1	807581845	ODYGGOQOSNOCPY-SNVBAGLBSA-N	315.370	1.277	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccc3oc(O)nc3c2)c1	805179008	NWIXOQQEUDUNGK-UHFFFAOYSA-N	322.280	1.480	50	20	DDGD	
O=C(NNc1cccc(F)n1)C(=O)Nc1ccc2c(c1)COC2	807393176	ZMIMGYVTGVPVKL-UHFFFAOYSA-N	316.292	1.333	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)CCc1ccccc1)Nc1ccccc1	801985125	VAVSGSWAQAQUJJ-HNNXBMFYSA-N	313.357	1.833	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2(F)CCCC2)cc1	801108076	BMROJHAIQYSKLB-UHFFFAOYSA-N	307.325	1.363	50	20	DDGD	
COC(=O)COc1cccc(C(=O)NNc2ncccc2F)c1	804214837	SENROTXXTJYFGS-UHFFFAOYSA-N	319.292	1.529	50	20	DDGD	
CCCCCC[C@@H](C)CC(=O)NNC(=O)N1CCN(C)CC1	807380863	TXKJCUSGNXZWFH-CQSZACIVSA-N	312.458	1.971	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)NNc1ccc(-n2ccnc2)nn1	804956970	JYRKZTCSDOQWGC-PWSUYJOCSA-N	314.349	1.111	50	20	DDGD	
CC[C@@H](NC(=O)NCCSSC)[C@@H](O)C(F)(F)F	807229456	XZVQGCIQHKCWOT-RNFRBKRXSA-N	306.375	1.999	50	20	DDGD	
Cn1nnc2c(C(=O)NNc3c(F)cccc3F)ccnc21	801176249	TZLIAUNMMMHWQB-UHFFFAOYSA-N	304.260	1.398	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-]	292419844	VBQMIUYSSVXEOK-CABZTGNLSA-N	322.321	1.165	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@@H]2CCCc3ccccc32)O1	297305891	FNASHGQOHOOBKJ-GLQYFDAESA-N	317.389	1.962	50	20	DDGD	
Cc1csc(=O)n1CCC(=O)NNc1cccc(Cl)n1	293610735	DUPLSGZISYPIIF-UHFFFAOYSA-N	312.782	1.800	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)s1	802033872	RNPGIXYIOOTJJL-UHFFFAOYSA-N	304.331	1.234	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cccnc2N2CCCC2)O1	293767647	AIRKYXFXCKTTSD-AAEUAGOBSA-N	318.377	1.010	50	20	DDGD	
CCCN(NC(=O)c1nn(CC)nc1C)C(=O)OC(C)(C)C	293664518	OENSTCVSKLMDKF-UHFFFAOYSA-N	311.386	1.898	50	20	DDGD	
CS(=O)(=O)c1cccc(NC(=O)NNc2cccc(F)n2)c1	806175930	ITEOLVXSPOMIGD-UHFFFAOYSA-N	324.337	1.773	50	20	DDGD	
Cc1cc(C)c(NNC(=O)C(=O)Nc2ccc(C#N)cn2)c(C)c1	815589155	KAERYFCOAJYKPL-UHFFFAOYSA-N	323.356	1.960	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)c1ccc2c(c1)OCCO2	811637385	VJBAUUBYLBRACU-LBPRGKRZSA-N	317.345	1.232	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CC(C)(C)Oc2ccsc21	814901038	UNEDFXUZWFODAZ-UHFFFAOYSA-N	311.363	1.486	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnnc(-c2ccccc2)c1	810585287	QHRCYVPCDYLWJU-UHFFFAOYSA-N	313.361	1.888	50	20	DDGD	
COc1ccc(NC(=O)NN=Cc2cnc3ncccn23)cc1	815000258	URAMIIHZZIFOEA-UHFFFAOYSA-N	310.317	1.894	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)Cc1nnc(C)o1	813389743	QLZJBWCUYRQVTG-UHFFFAOYSA-N	324.724	1.044	50	20	DDGD	
CC(C)Oc1ncccc1C(=O)NNC(=O)NC1CCCC1	819187883	VOATVVLFZQENSU-UHFFFAOYSA-N	306.366	1.755	50	20	DDGD	
Cn1nncc1NNC(=O)c1c(O)cc(Cl)cc1Cl	816769430	HUNVBKAQLGHZTL-UHFFFAOYSA-N	302.121	1.584	50	20	DDGD	
O=C(NN=C1CCCC[C@@H]1N1CCCCC1)c1ccnnc1	817343340	MIYNNIZLTTVNJE-HNNXBMFYSA-N	301.394	1.991	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCc2cccnc2CC1	817325231	BYUQZGPSFJIDCZ-LBPRGKRZSA-N	305.378	1.484	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1	811879045	RSCANDQUCYPLBN-NEPJUHHUSA-N	309.410	1.807	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2ncn(C)n2)c(C)c1	810548567	AZJSNKCVZKJUTQ-UHFFFAOYSA-N	304.379	1.063	50	20	DDGD	
CC(CCc1ccc(OCC(=O)O)cc1)=NNC(=O)C1CC1	814699734	IYKWKJFBPOZWJK-UHFFFAOYSA-N	304.346	1.985	50	20	DDGD	
Cc1cc(F)c(S(=O)(=O)NNC(=O)NCC2CC2)c(F)c1	818047662	BZMLBPWBOQNOKH-UHFFFAOYSA-N	319.333	1.176	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2ccc(Cl)nc2)ccn1C	810154820	HDKUBWRGZIFZMH-UHFFFAOYSA-N	306.753	1.711	50	20	DDGD	
CCC(C=NNC(=O)N[C@H]1CCS(=O)(=O)C1)(CC)CC	814815940	JYGOOHFUQBLEOC-NSHDSACASA-N	303.428	1.675	50	20	DDGD	
CCN(C)C(=O)c1cccc(C(=O)NNc2ncncc2F)c1	817071623	XMUNJXUUCXDQCI-UHFFFAOYSA-N	317.324	1.465	50	20	DDGD	
C[C@H](C(=O)N(C)CC(Cl)Cl)n1nnnc1C(C)(C)C	816628831	LTSMHCYKIBMXJZ-SSDOTTSWSA-N	308.213	1.794	50	20	DDGD	
O=C(O)COc1ccccc1C=NNC(=O)Cc1ccccn1	729146999	GCGIJCUCZKROFI-UHFFFAOYSA-N	313.313	1.238	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2CC3(CC3)C2)c(OC)c1	826647879	WXYWJRKUPUCGFQ-UHFFFAOYSA-N	304.346	1.655	50	20	DDGD	
CC[C@@H](Cc1cccc(C)c1)C(=O)NNC(=O)c1cnn(C)c1	820083614	QKJDDZWSRJCPNI-AWEZNQCLSA-N	314.389	1.758	50	20	DDGD	
C[C@@H](CC(=O)O)C(=O)NNC(=O)c1cccc2cccnc12	827303653	HHNJCKZWJNLMME-VIFPVBQESA-N	301.302	1.107	50	20	DDGD	
COc1ccccc1C(=O)NN=Cc1ccc(-c2nn[nH]n2)o1	821882957	OJLOIFIGTZFNSU-UHFFFAOYSA-N	312.289	1.232	50	20	DDGD	
C[C@H](Cc1ccsc1)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	825747930	DUIGZMAAQPFNBY-FOGDFJRCSA-N	311.407	1.435	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc(-c2cn(C)nn2)c1	825696702	ASDNODVHXBAGAO-UHFFFAOYSA-N	317.353	1.180	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)C1CCC2(CC1)CC2	826773757	JMKLGAAPEOHRGE-UHFFFAOYSA-N	318.373	1.889	50	20	DDGD	
C#Cc1cccc(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)c1	823861807	RBTZSIYOCKIGKK-UHFFFAOYSA-N	319.328	1.997	50	20	DDGD	
CC(C)C[C@H](CCO)CNC(=O)/C(C#N)=C\c1cnn(C)c1	491080782	FDZCKYROFPQBPM-XKBFBRDOSA-N	304.394	1.488	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1c2ccccc2O[C@@H]1C	826810491	YCNUGSBGBNVYSN-MIJXAVMKSA-N	319.361	1.264	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N(C)CCCc1ccccc1	827281329	HDUPPTLMLLNNGO-DZGCQCFKSA-N	319.405	1.717	50	20	DDGD	
CCn1nnc(C)c1/C=C(\C#N)C(=O)NCCc1ccccc1	491175048	JJJSTHQEAYTLLK-RVDMUPIBSA-N	309.373	1.872	50	20	DDGD	
CCOc1ncccc1CNC(=O)NNC(=O)OC(C)(C)C	490650384	BERAOGKOFKYISW-UHFFFAOYSA-N	310.354	1.719	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ccc(C(=O)O)cc1	820689496	PCNSWBGEQLMRSS-UHFFFAOYSA-N	314.297	1.928	50	20	DDGD	
COc1ccn2c(C(=O)NN(C)C(=O)OC(C)(C)C)cnc2c1	496222465	DEDWWFGVOYNRJJ-UHFFFAOYSA-N	320.349	1.855	50	20	DDGD	
CN1CCC[C@@H](CN(C)C(=O)/C(C#N)=C/c2cnn(C)c2)C1	491006122	CZIBRJGJCQEYNY-BKNIFWKGSA-N	301.394	1.127	50	20	DDGD	
COC(=O)NNC(=O)c1sc(NC(=O)c2ccco2)cc1C	490597434	BGUOPFLLISCJOG-UHFFFAOYSA-N	323.330	1.903	50	20	DDGD	
CC(C)CCC[C@H](C)NC(=O)COc1ccc(B(O)O)cc1	584910387	ZIPBHQVXHSXDMH-ZDUSSCGKSA-N	307.199	1.076	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccnc(-c2ccco2)c1	823475017	NEPQXXDDXMWLCP-ZYHUDNBSSA-N	315.329	1.528	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H]1C(=O)NNc1c(F)c(F)nc(F)c1F	901899770	VZCNGIIBVSUENV-QWWZWVQMSA-N	307.203	1.192	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H](C)CCc1ccco1	825566993	RXYLLQUJISYHRK-NTZNESFSSA-N	309.366	1.356	50	20	DDGD	
C[C@]1(C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)C[C@H]1Br	906959444	BEHPYLYRLMKSRE-KQXIARHKSA-N	318.211	1.566	50	20	DDGD	
C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1	585009368	XUBQHQZSJFAPOQ-NHYWBVRUSA-N	305.158	1.370	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc(Cl)cn1	826448564	AFBRXXHIHQYDSV-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
CCN(C(=O)c1ccc(B(O)O)cc1)[C@H](C)Cc1ccsc1	584974805	RBYMYMODHPHJLV-GFCCVEGCSA-N	317.219	1.521	50	20	DDGD	
C#C[C@H](C)N(C)CC(=O)NNC(=O)c1cc(Cl)ccc1OC	491701740	FPVIBEANAMAJEP-JTQLQIEISA-N	323.780	1.063	50	20	DDGD	
C[C@H]1CCC[C@@H]1CC(=O)NNC(=O)CNC(=O)OC(C)(C)C	495463593	LXOWKZLDPIBVPC-WDEREUQCSA-N	313.398	1.485	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cc(-n2ccnc2)ccc1O	823202585	JCTMRUZHAAIJSW-UHFFFAOYSA-N	300.318	1.139	50	20	DDGD	
Cc1cccc2nc(CCNC(=O)NNC(=O)C(C)C)cn12	827684846	YSVLZIXWADEGSX-UHFFFAOYSA-N	303.366	1.172	50	20	DDGD	
CC(C)C(=O)NNC(=O)CSc1ncnc2ccsc12	828918019	OBFSFZMTBKGGKO-UHFFFAOYSA-N	310.404	1.587	50	20	DDGD	
COC[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)[C@H]1CCCO1	491007813	GZMIYELYAXKOOG-KTDOTMJKSA-N	316.357	1.609	50	20	DDGD	
COC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)OC(C)(C)C)C1	493138410	JHZZFDAICSZVAV-UWVGGRQHSA-N	300.355	1.522	50	20	DDGD	
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CC[C@@H](B(O)O)C2)c1	585070112	WETCTGPBVCFCGX-ZIAGYGMSSA-N	319.210	1.961	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc(-n2cccc2)cc1	833261113	MDTFTYWSNRDVSP-OAHLLOKOSA-N	313.357	1.807	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1ccc(OCC)cc1)[C@H]1CCCO1	838557762	BYDXZBNPBCPTCQ-HUUCEWRRSA-N	303.362	1.892	50	20	DDGD	
CCOC(=O)C[C@H](C)CNC(=O)/C(C#N)=C/c1cnn(C)c1	491174720	IQXXBNMDPHRMEN-HOVAHTAHSA-N	304.350	1.033	50	20	DDGD	
C[C@H](N)C[C@@H](C)NC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	831212423	PMSPRMQHALQNEE-WDEREUQCSA-N	322.413	1.214	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H]1C[C@H]1c1cncn1C	834580807	OIPLDLYFGOMWMF-GHMZBOCLSA-N	300.366	1.580	50	20	DDGD	
COc1cccc2c1CN(S(=O)(=O)CBr)CC2	832394161	CBIWMLRCIIXNQB-UHFFFAOYSA-N	320.208	1.736	50	20	DDGD	
Cc1onc(-c2ccccc2)c1C(=O)N1CC[C@H](B(O)O)C1	585073294	WNTRQLXAVUKANN-LBPRGKRZSA-N	300.123	1.339	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cc2cnn(C)c2C)c(F)c1	837206592	ONFMMKVJIRYVQJ-UHFFFAOYSA-N	320.324	1.340	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@]2(C)CC2(Cl)Cl)n1	838667489	HOHARIBWMGPXTQ-JTQLQIEISA-N	320.180	1.695	50	20	DDGD	
O=C(COc1ccc(F)cc1)NN[C@@H](C(=O)O)c1cccnc1	833115307	KPQMERTZHUEMOT-CQSZACIVSA-N	319.292	1.046	50	20	DDGD	
OB(O)c1ccc(CN[C@H](c2cccnc2)C2CC2)c(F)c1	585031252	BNCVNKLKEIMSPV-INIZCTEOSA-N	300.142	1.141	50	20	DDGD	
Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CC[C@@H](B(O)O)C1	585068496	BQCCZNREADZEOO-GFCCVEGCSA-N	316.170	1.010	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@H](C)Oc2ccccc21	732214469	SNBUNBKPFBMDEB-STQMWFEESA-N	319.405	1.856	50	20	DDGD	
O=C(NC[C@@H]1Cc2ccccc21)NNC(=O)[C@H]1CCCCO1	837798922	DVLZNUGSBARZBI-GXTWGEPZSA-N	303.362	1.226	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1	910150239	QNGXPQZKSRSBMF-CPCISQLKSA-N	307.177	1.371	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N(C1CC1)[C@@H]1CCc2ccccc21	584940785	WQTVXURONUDPHQ-GOSISDBHSA-N	321.185	1.659	50	20	DDGD	
CCOC(=O)c1cc(COC)cc(NC(=O)NNC(C)=O)c1	836643196	ZQOANCJKSOMMEK-UHFFFAOYSA-N	309.322	1.182	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)c1nnc(O)c2ccccc12)C1CC1	917915803	XQVQCXFMTNPUDI-HJWRWDBZSA-N	312.329	1.453	50	20	DDGD	
CC(C)(O)[C@H](Oc1ccccc1)C(=O)NN=c1cc[nH]cc1	831868438	WMVGLPSUPUIBAT-CQSZACIVSA-N	301.346	1.165	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NC[C@H]1CC1(Cl)Cl	918060603	PXMGFHZBQJRYJF-SCSAIBSYSA-N	308.087	1.463	50	20	DDGD	
COc1cccc([C@H](C)C(=O)NNC(=O)[C@H]2CCCCO2)c1	833251257	UIPMXTIKOZDMBR-SMDDNHRTSA-N	306.362	1.515	50	20	DDGD	
CCC(=NNC(=O)CNC(=O)c1cccs1)C1CCOCC1	745194634	DOSDSXUNQOADKD-UHFFFAOYSA-N	323.418	1.787	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)[C@@H]1CCCCO1	833235517	FYXJYJJGYKJQPK-KYJMLPBTSA-N	316.401	1.097	50	20	DDGD	
CC(=O)N[C@@H](C)C(=O)NNC(=O)Nc1ccc(C)cc1Cl	743825650	WOLGJXXSTLRUNH-QMMMGPOBSA-N	312.757	1.326	50	20	DDGD	
O=C(NNC(=O)c1c[nH]nc1-c1ccncc1)c1ccccc1O	916148073	AFXMJEKETDRYCG-UHFFFAOYSA-N	323.312	1.252	50	20	DDGD	
CCn1cnnc1SCC(=O)NNC(=O)c1cccc(C)c1	742450534	ASHGJKZZTIQDOR-UHFFFAOYSA-N	319.390	1.160	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)[C@@H]2C[C@H]2C2CCC2)cc1	845078785	ZLRHZLULCIOCIJ-LSDHHAIUSA-N	313.357	1.521	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NCC(C)(C)OC)cc1	743674867	NAVLWQZZQPOCAW-UHFFFAOYSA-N	323.393	1.383	50	20	DDGD	
CCc1ccc2c(c1)C(=NNC(=O)[C@@H]1CCO[C@@H]1C)C(=O)N2	842560599	YBZJNMCRGAFYSH-MWLCHTKSSA-N	301.346	1.446	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(F)c(C(F)(F)F)cc1F	910154768	FGAYAJMCOQAFHQ-LURJTMIESA-N	312.238	1.941	50	20	DDGD	
O=C(NCCNC(=O)c1ccco1)NNc1ccc(Cl)nc1	745433899	OCQLKNALZOVLIT-UHFFFAOYSA-N	323.740	1.384	50	20	DDGD	
O=C(COC[C@H]1CCCO1)NNC(=O)c1cc2c(s1)CCC2	746385677	IWUNLDAAHXIICN-LLVKDONJSA-N	324.402	1.193	50	20	DDGD	
O=C(CCOc1ccccc1F)NNC(=O)CC(F)(F)F	918365520	BHUZZHAKTPLOJQ-UHFFFAOYSA-N	308.231	1.694	50	20	DDGD	
CC(=NNC(=O)CCN1CCCCCC1)c1cncnc1C	848401808	KEWCLKDLMVCCIJ-UHFFFAOYSA-N	303.410	1.891	50	20	DDGD	
CCc1ncncc1C(=O)NNC(=O)Cc1ccc(F)cc1	916144721	TUGOWXPPECUPFK-UHFFFAOYSA-N	302.309	1.182	50	20	DDGD	
COC(=O)[C@H](NNC(=O)[C@H]1CCO[C@@H]1C)c1ccccc1F	843289578	VGXYZBYCAMQJHU-GBIKHYSHSA-N	310.325	1.086	50	20	DDGD	
CC(C)(C)n1nnc(CNC(=O)NNc2cccc(Cl)n2)n1	848665618	GQIUXSRROJUDCI-UHFFFAOYSA-N	324.776	1.303	50	20	DDGD	
C[C@@H](C(=O)NNc1ncncc1Cl)C(=O)OC(C)(C)C	840431437	XURRJXDAGJWQQT-ZETCQYMHSA-N	300.746	1.551	50	20	DDGD	
C[C@@H]([C@H](C)C(=O)NNc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	841407907	DNSHREFIBCZNFD-IUCAKERBSA-N	315.351	1.107	50	20	DDGD	
O=S(=O)(CBr)N[C@H]1CCCN2CCCC[C@H]12	848507975	CEOMWVRDDUQSNQ-VHSXEESVSA-N	311.245	1.275	50	20	DDGD	
COCC[C@@H](C)CNC(=O)NNc1cccc(C(=O)OC)c1	840397755	ZUZKTPVMRYMPRZ-LLVKDONJSA-N	309.366	1.772	50	20	DDGD	
C[C@H]1CC(=NNC(=O)COc2ccc(C#N)cc2)CCN1C	741457620	ODJPFWLSRFXINR-LBPRGKRZSA-N	300.362	1.523	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ncoc2C)cc1OC	745738637	NVFGRXHKUVQNAB-UHFFFAOYSA-N	305.290	1.075	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCCCSC)cc1	845000487	KBXRHFMLCFEKNI-UHFFFAOYSA-N	311.407	1.781	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1(Cc2ccc(F)cc2)CC1	843653421	BYAFALIXZSIGQY-BXUZGUMPSA-N	320.364	1.721	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1CCC(C(F)(F)F)CC1	843656141	MDPLYNRJHDHYPE-AGVGLQIMSA-N	322.327	1.928	50	20	DDGD	
COc1cc(C(C)=NNC(=O)Cc2cc[nH]n2)cc(OC)c1O	842533214	JSQBITCMCZOZBP-UHFFFAOYSA-N	318.333	1.215	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](CN)C1CCCC1	841988066	SIHFIGHBSOEXQV-CQSZACIVSA-N	304.394	1.457	50	20	DDGD	
CC[C@@H](N)CNC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	842008328	UGETYSHMQXHHOO-DLUQRMLASA-N	322.453	1.661	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=Cc1ccc(C(=O)O)[nH]1	749811395	BJXZZPHALPTNQZ-UHFFFAOYSA-N	312.285	1.114	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(C)nc1C	843660239	WBQADODLGHTUSG-NEPJUHHUSA-N	319.361	1.087	50	20	DDGD	
Cn1ccnc(NNC(=O)[C@H]2CCSc3ccccc32)c1=O	747938087	PHQDIPBJGSJXKG-NSHDSACASA-N	316.386	1.503	50	20	DDGD	
CO[C@@H](C=NNC(=O)Nc1ccc(N(C)C)cc1)[C@@H]1CCOC1	841625762	LPDDAGBBIHOQQQ-DOMZBBRYSA-N	320.393	1.911	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C[C@@H]2CCCCO2)cc1OC	755038071	IWYFIXYGPBSOSA-LBPRGKRZSA-N	322.361	1.424	50	20	DDGD	
CN1C(=O)CC[C@H]1CC(=O)NNc1ccc([N+](=O)[O-])cc1F	855623524	HGCKHPPZCAKYAE-QMMMGPOBSA-N	310.285	1.188	50	20	DDGD	
COC[C@@H]1CCCN1C(=O)NNC(=O)c1ccc(C#N)cc1	752007304	NVFGYCNEOFGNCH-ZDUSSCGKSA-N	302.334	1.023	50	20	DDGD	
COCCn1cc(C(=O)NNc2cc(F)cc(Cl)c2)nn1	855621844	QMPXKWCEZKAVJF-UHFFFAOYSA-N	313.720	1.474	50	20	DDGD	
CC(C)COc1ccccc1C(=O)NNC(=O)Cc1cc[nH]n1	755277969	XZDOAHNBODELOR-UHFFFAOYSA-N	316.361	1.448	50	20	DDGD	
C[C@H]1COC[C@@H]1NC(=O)NNC(=O)c1cc2c(s1)CCC2	925990116	FXCDHQJDPAQBRK-WPRPVWTQSA-N	309.391	1.216	50	20	DDGD	
CO[C@H](C)CNC(=O)NNC(=O)c1cccc2cccnc12	852030293	DLVAFUCCLAUSEN-SNVBAGLBSA-N	302.334	1.214	50	20	DDGD	
Cn1ncc(CCCNC(=O)NNc2ccc(F)c(F)c2)n1	922609342	NHWWJABEDSRNOG-UHFFFAOYSA-N	310.308	1.352	50	20	DDGD	
COC(=O)c1ncoc1CCC(=O)N(C)CC(Cl)Cl	854479993	YNJIPIFWVYKCHY-UHFFFAOYSA-N	309.149	1.656	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C1CCC1)c1ccc([N+](=O)[O-])cc1F	755309504	JULNWWPDFDNHOH-QMMMGPOBSA-N	309.297	1.785	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1nc(C)cc(C)n1)C1CCCC1	852654121	FWHXPGSUQUKEAI-ZDUSSCGKSA-N	307.398	1.925	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccccc1N1CCOCC1	920829114	AFDXSVAXKYEHEO-UHFFFAOYSA-N	320.393	1.193	50	20	DDGD	
CCOc1ncc(C(=O)NN(C)C(=S)NC)cc1Cl	854923742	HINVADYAGTURNO-UHFFFAOYSA-N	302.787	1.215	50	20	DDGD	
Cn1cccc1C(=O)NN=Cc1ccc(O[C@@H]2CCOC2)cc1	853283882	GRRBEVKDHDWODH-OAHLLOKOSA-N	313.357	1.957	50	20	DDGD	
CC(C)(C)c1ncc(/C=C/C(=O)NNC(=O)c2cc[nH]n2)s1	855357274	GQPUEFPVZIGEMR-SNAWJCMRSA-N	319.390	1.638	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)N[C@@H](C)C1CCC1	756051110	RAKIVZZIPASLBD-NSHDSACASA-N	321.377	1.593	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccoc2CC(N)=O)C[C@@H]1Br	857388392	RMUOCSQLBNVCQZ-CABZTGNLSA-N	315.167	1.211	50	20	DDGD	
Cc1nccc(CNC(=O)NC[C@]2(C)C[C@@H]2Br)n1	856823306	JHMUYCQSJRFOMU-JQWIXIFHSA-N	313.199	1.758	50	20	DDGD	
C=C[C@H](CC)CC(=O)NNC(=O)[C@H]1COc2ccccc2O1	929233041	VHTUEHYJNUPOGB-BXUZGUMPSA-N	304.346	1.576	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@H]2C=NNC(=O)c2cc[nH]n2)cn1	853391377	KLOZXKPPOHCKRP-GXFFZTMASA-N	302.338	1.120	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cc(C#N)ccc1F)C1CC1	855095046	HYNDKCMYJWGVCN-QMMMGPOBSA-N	306.366	1.605	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1cc(Br)no1	854705914	YPFQAOYQCLTOGZ-VOTSOKGWSA-N	300.112	1.497	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2cccc(N)c2C)n1	859726803	NAUKSNNNHZOHTG-UHFFFAOYSA-N	316.365	1.243	50	20	DDGD	
CCOc1ccc(CCC(=O)NNC(=O)c2cc[nH]n2)cc1	855359648	ZHMLESKLWTWBCT-UHFFFAOYSA-N	302.334	1.202	50	20	DDGD	
CC1(C)C[C@@]1(C(=O)O)C(=O)NNc1nc(-c2ccncc2)no1	852949997	DGDGGYLPTUENIM-AWEZNQCLSA-N	317.305	1.076	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=Cc2cnc3ncccn23)c1	755526637	NTKIOHKOJPFDDQ-UHFFFAOYSA-N	308.345	1.559	50	20	DDGD	
CC(=O)NC1CCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)CC1	751760139	OKSOWVGDZYFYOZ-GXDHUFHOSA-N	315.348	1.860	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1C[C@H]1OC(C)(C)C	854388105	WXQGENJAZQQGEN-GHMZBOCLSA-N	316.398	1.127	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=C[C@@H]1CCc2ccccc21	755753569	LBSONLUVMDGRMZ-NSHDSACASA-N	312.329	1.262	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H]1C[C@H]2CCCCN2C1=O	867377516	KEWHKKWXJXOYFF-GHMZBOCLSA-N	322.858	1.324	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cnn(C3CC3)c2)nc1	860445736	BIFMZLBQNNANMV-UHFFFAOYSA-N	301.306	1.157	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccnc(OCC(F)(F)F)c1	764680838	BQXIZDSZTXQWFX-UHFFFAOYSA-N	318.255	1.585	50	20	DDGD	
CO[C@]1(CNC(=O)NNc2cccc([N+](=O)[O-])c2C)CCOC1	764808931	IMWLDCHJXVHYIJ-AWEZNQCLSA-N	324.337	1.335	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)c1ccc2nnc(O)n2c1	764179435	AXZCKRRCOZSYGQ-UHFFFAOYSA-N	320.312	1.162	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)NN[C@@H](C)C(F)(F)F)C2	862322463	JEPNQILAQFQOJT-QEYWKRMJSA-N	321.299	1.201	50	20	DDGD	
CN(C)c1ncc(CNS(=O)(=O)CC(C)(C)CCl)n1C	866781869	UOKTULXODVYFFB-UHFFFAOYSA-N	322.862	1.171	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NN=C[C@@H]2CCCO[C@H]2c2nccn2C)O1	863170026	NGBHHMWQJDCZMD-XJFOESAGSA-N	320.393	1.557	50	20	DDGD	
COCCOCc1ccc(NC(=O)NNC(=O)C2CCC2)cc1	861568040	NPDDDBXNXPDVJK-UHFFFAOYSA-N	321.377	1.802	50	20	DDGD	
Cc1ccc([C@@H](C)[C@H](O)C(=O)NNC(=O)C2CCCC2)cc1	764822482	QVRMMXOGXLPQME-DOMZBBRYSA-N	304.390	1.797	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)c1c[nH]cc1C	768613465	UTWSHUVBMBMGAO-UHFFFAOYSA-N	323.374	1.492	50	20	DDGD	
Cc1ccc(CO[C@@H](C)C(=O)NNc2nccn(C)c2=O)cc1	863894536	SBPJXHYTHBVKEU-LBPRGKRZSA-N	316.361	1.137	50	20	DDGD	
CN(C)CCOc1cccc(NC(=O)NNc2cnccn2)c1	769966309	MMNLHVKHNNWUSL-UHFFFAOYSA-N	316.365	1.566	50	20	DDGD	
Cn1c(C(=O)NNCC(F)(F)C(F)(F)F)ccc1[N+](=O)[O-]	863090829	ANCFZUFCOZVTRC-UHFFFAOYSA-N	316.186	1.365	50	20	DDGD	
O=C(COC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)NC1CC1	769982187	NNTGHESJEJAMHC-GMOODISLSA-N	316.195	1.762	50	20	DDGD	
C[C@@]1(c2cccc(C(=O)NNc3ccccc3)c2)NC(=O)NC1=O	768930946	ZQVBBKBUSOMCTE-KRWDZBQOSA-N	324.340	1.498	50	20	DDGD	
Cn1ccc(CCC(=O)NNCC(F)(F)C(F)(F)F)n1	863098895	FRCQOFYBXOAVPA-UHFFFAOYSA-N	300.231	1.171	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H](C)OCc2ccncc2)c1	869384676	DQSHCFQGWNUNHX-NSHDSACASA-N	319.386	1.818	50	20	DDGD	
COC(=O)CCCC(=O)NNC(=O)COc1ccc(C)c(C)c1	764450367	OYUBHAHVBSEKBM-UHFFFAOYSA-N	322.361	1.173	50	20	DDGD	
CCOC1CC(O)(CNC(=O)[C@@H](Br)C(C)(C)C)C1	769710392	WPNVRFIPKOVXCZ-RUETXSTFSA-N	322.243	1.842	50	20	DDGD	
CCOc1cccc(NC(=O)NNC(=O)c2ccccn2)n1	765321547	QKBOXCKZAKPJQO-UHFFFAOYSA-N	301.306	1.342	50	20	DDGD	
CCCN(C)CC(=O)NNC(=S)Nc1cc(C)ccc1C	873754078	GMZXLDLWAYVVFS-UHFFFAOYSA-N	308.451	1.963	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@H](C)CCC(=O)OC(C)C)cc[nH]1	875546519	BSMLIJUDHWGWNA-LLVKDONJSA-N	308.382	1.558	50	20	DDGD	
C[C@@H](CC(=O)O)NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	776632608	WZKNKZJDLHGZEL-PHGLEFOZSA-N	304.184	1.920	50	20	DDGD	
CC(C)CCc1ccc(NC(=O)NNC(=O)CN(C)C)cc1	775573622	IGUTVOKXHAQLLE-UHFFFAOYSA-N	306.410	1.990	50	20	DDGD	
O=C(CCC(=O)c1ccccn1)NNC(=O)CC(F)(F)F	770222417	OOEDPVHKTOVURV-UHFFFAOYSA-N	303.240	1.144	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1ccnc(OC(C)C)c1	778707944	SMIJKXVBPMORCI-UHFFFAOYSA-N	322.365	1.001	50	20	DDGD	
Cc1ccn2cc(C(=O)NNC(=O)NC3CCCCC3)nc2c1	771818836	ILIRVABYHQRQDX-UHFFFAOYSA-N	315.377	1.919	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1ccccc1SC	877941628	XAKIKGOQGNQFQZ-UHFFFAOYSA-N	313.379	1.224	50	20	DDGD	
Cc1ncc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)s1	772054365	QRNAYISWZGRHFN-QMMMGPOBSA-N	313.379	1.190	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC[C@@H]2CCOC2)cc1F	1117807752	ZOCGGZIQTRMXFL-VIFPVBQESA-N	311.313	1.275	50	20	DDGD	
O=C(NNC(=O)c1ncoc1-c1ccc(F)cc1)c1ccc[nH]1	771098019	KSDHQQYNYBKVDY-UHFFFAOYSA-N	314.276	1.884	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)Cc1nc2ccccc2n1C	770597917	SBPGNJVZVZMHKX-UHFFFAOYSA-N	324.388	1.562	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H]2CCNC(=O)C2)c1	873755321	IEOWEEKWTOQUKH-NSHDSACASA-N	320.418	1.147	50	20	DDGD	
Cc1cnccc1C(=O)NNC(=O)c1c(C)nc2ccccn12	771105967	ITKIYQOXFWPSKV-UHFFFAOYSA-N	309.329	1.421	50	20	DDGD	
Cc1ccc(CC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)o1	772214547	ZQNWZJYQTPHOHZ-NSHDSACASA-N	310.350	1.256	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CCC[C@@H]2CCO)c1	779710256	AWKZAYZNEHSWAM-RISCZKNCSA-N	321.377	1.650	50	20	DDGD	
CCCCSCC(=O)NNc1nc(O)c2cnn(C)c2n1	770979538	HULDYCVNCIIHAE-UHFFFAOYSA-N	310.383	1.045	50	20	DDGD	
COCCC(C)(C)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	772315900	IHRHQQLWLOQISG-LLVKDONJSA-N	316.398	1.174	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2ccc(Cl)cn2)cc1	773623021	FYQGTRTWPDXPAM-UHFFFAOYSA-N	320.736	1.825	50	20	DDGD	
CCn1cc(Br)c(C(=O)NNC(=O)CC2CC2)n1	1123797164	VZIBBTDBVIEWBZ-UHFFFAOYSA-N	315.171	1.227	50	20	DDGD	
O=C(NC[C@@H]1CCCC(F)(F)C1)NNC(=O)C1CCOCC1	883627304	XJWLZZGTVLXSHO-SNVBAGLBSA-N	319.352	1.569	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)c1cn(C2CCOCC2)nn1	885113781	MJKIIZFDIWHKMJ-UHFFFAOYSA-N	323.303	1.665	50	20	DDGD	
COc1ccc(CCCC(=O)NNC(=O)c2cccnn2)cc1	882060875	XSLJFXSDHOSXBP-UHFFFAOYSA-N	314.345	1.269	50	20	DDGD	
CO[C@]1(C(=O)NNC(=O)Cc2ccccc2F)CCSC1	888868739	LRFVTNAZJHFXPG-CQSZACIVSA-N	312.366	1.038	50	20	DDGD	
Cc1ccc(CN(CCO)S(=O)(=O)CCCCl)cc1	882057545	YAHKAIRRNAJZOK-UHFFFAOYSA-N	305.827	1.748	50	20	DDGD	
CSc1ccc(NC(=O)C(=O)NN(C)c2ccccc2)cn1	783428699	AITAXQAEHKJFHS-UHFFFAOYSA-N	316.386	1.910	50	20	DDGD	
CC1(C)CCN(CCNC(=O)NNc2cccc([N+](=O)[O-])c2)C1	898597388	FRWQYJRAYHASBZ-UHFFFAOYSA-N	321.381	1.953	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CCC(CC#N)CC1	781782038	OSUCQJTVHRUAAK-UHFFFAOYSA-N	300.362	1.975	50	20	DDGD	
Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNc1ncncc1Cl	781824379	DKXPWOFKDIYVJG-SSDOTTSWSA-N	308.773	1.727	50	20	DDGD	
CO[C@@]1(C(=O)NNc2cnnc3ccccc23)CCSC1	896360288	GXCXBIFXKLTVSV-AWEZNQCLSA-N	304.375	1.595	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(F)cc1)c1nnnn1C1CC1	790715740	AMQOUVBMRWZCIU-MRVPVSSYSA-N	305.317	1.534	50	20	DDGD	
O=C(CCc1cnc2ccccc2c1)NNC(=O)c1ccc[nH]1	792026575	XZSSWLKBLGOOKN-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCC=CO2)c2ccccc2n1	799006511	DSVXLGRJRHRRDJ-OAHLLOKOSA-N	311.341	1.997	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cc(O)nc(C2CC2)c1	791257418	JFBLWGMGBAXLPZ-UHFFFAOYSA-N	310.317	1.464	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2csc(O)n2)c1	792014476	IQFSADNKNKJORX-UHFFFAOYSA-N	321.358	1.306	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)COc2ccc(F)cc2)CCC1=O	798306809	AYRNIQWMMBFGKL-MNOVXSKESA-N	322.336	1.357	50	20	DDGD	
COc1ccc(CNS(=O)(=O)CBr)c(O)c1	795357433	ORPHZJDLEJGMPB-UHFFFAOYSA-N	310.169	1.173	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccc([S@](C)=O)cc2)o1	797920521	RIHCMIKADKRDAF-QFIPXVFZSA-N	320.370	1.329	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cnn(C)c2C(F)F)n1	794079820	CLFXLDAWXMLVSI-UHFFFAOYSA-N	309.276	1.136	50	20	DDGD	
N#CCOc1cccc(NC(=O)NNc2nc3ccccn3n2)c1	792244155	NCRSXGPCURXUFA-UHFFFAOYSA-N	323.316	1.780	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=CC(C)(C)S(C)(=O)=O)c1	1319488862	HAAOENQXZOIUIK-UHFFFAOYSA-N	311.407	1.291	50	20	DDGD	
Cn1ncc(Cl)c1C(=O)NNc1ccc(C(C)(C)C)nn1	1328560614	IKEOBDJRHLJSND-UHFFFAOYSA-N	308.773	1.918	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N[C@H]2CCC[C@@H](F)C2)c1	1325999307	LMERZBIPJCTOFA-OLZOCXBDSA-N	304.325	1.783	50	20	DDGD	
CN(C)[C@H](C(=O)NNC(=O)NCC1CC1)c1cccc(Cl)c1	1329339597	QFKSEBGZGGIKHI-ZDUSSCGKSA-N	324.812	1.683	50	20	DDGD	
O=C(NN=Cc1cc(F)ccc1O)c1n[nH]c2c1CCCC2	1324428956	HNDATRSWNACVAO-UHFFFAOYSA-N	302.309	1.897	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)Nc1cncc(F)c1	1321340993	NUXJMOZOPZJUJF-UHFFFAOYSA-N	318.312	1.289	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1nccc(Cl)c1F	1326379699	BAFVUEKATHOEAQ-BQBZGAKWSA-N	301.705	1.060	50	20	DDGD	
CCO[C@H]1C[C@H](NC(=O)NN=c2cc[nH]c(C)c2)C12CCC2	1349358246	QFXPRFDHSXEQQD-KBPBESRZSA-N	304.394	1.786	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)OC[C@]1(C)C[C@H]1Br	1345267513	XJRIJRNQYXLQGO-LNLATYFQSA-N	304.184	1.714	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2ncc(C(N)=O)cc2Cl)c1	1347816867	CSZJGWSYHOUUTH-UHFFFAOYSA-N	315.720	1.462	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc(Cl)nc1N)C1CC1	1351043638	CQQPDKZSRCNXEW-ZCFIWIBFSA-N	313.814	1.225	50	20	DDGD	
C[C@H]1CN2CCN1C[C@@H]2C(=O)NNc1ccc(F)cc1Cl	1353039991	USGATSOLBMWHLU-TVQRCGJNSA-N	312.776	1.311	50	20	DDGD	
Cn1nc(C(=O)O)cc1C=NNC(=O)c1ccccc1Cl	1605540438	VDZOURFBSPOHFN-UHFFFAOYSA-N	306.709	1.536	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2ccc(F)c(C(=O)O)c2)c[nH]1	1606533414	QZUTWEPOFYFHRS-UHFFFAOYSA-N	321.264	1.396	50	20	DDGD	
Cc1c(NNC(=O)c2ccc3nn[nH]c3c2)cccc1C(=O)O	1600054401	XIWMIKLITFJWLZ-UHFFFAOYSA-N	311.301	1.721	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2c[nH]c(C(=O)O)c2)ccc1F	1606559770	YIZYLKQUSCRKFO-UHFFFAOYSA-N	321.264	1.396	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2ccc(F)c(O)c2)cc1	1602128949	HOCOLZBJWPEDTP-UHFFFAOYSA-N	304.277	1.915	50	20	DDGD	
O=C(NCc1ccccn1)NNc1ccc(C(=O)O)c(F)c1	1608472051	ATNQUIQQIWYDDA-UHFFFAOYSA-N	304.281	1.745	50	20	DDGD	
CCCCCc1cc(C(=O)NNc2ncccc2C(=O)O)n[nH]1	1603645667	UUVPKQKHKHWYJH-UHFFFAOYSA-N	317.349	1.993	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@H](O)c2cccnc2)ccc1F	1602286614	NNTNJGIEYKRFRW-GFCCVEGCSA-N	305.265	1.096	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2sccc2C(=O)O)cc1	1610509140	BZPLRILMMDRHEY-UHFFFAOYSA-N	319.342	1.837	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1csc(Cc2ccc(N)cc2)n1	1576036766	KTWGEIKHRGLGIC-SNVBAGLBSA-N	320.418	1.274	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H]1CNCC[C@@H]1c1ccc(F)cc1	1578100139	OWSGFFDRWHQKNF-VEJWNLPXSA-N	317.364	1.831	50	20	DDGD	
CC(C)C[C@@H]1C[C@H]1NC(=O)NNc1cccc(-c2nn[nH]n2)c1	1574236484	DRROVMOAXARCSP-DGCLKSJQSA-N	315.381	1.927	50	20	DDGD	
C=C(CBr)COC(=O)c1ccc(C(=O)O)nc1	1588605905	QWHFOQXZLJCUGI-UHFFFAOYSA-N	300.108	1.888	50	20	DDGD	
C=C(CCC(=O)O)C(=O)NNc1ccc(F)c(C(=O)OC)c1	1588630230	GLDLTRGQJRKTNE-UHFFFAOYSA-N	310.281	1.476	50	20	DDGD	
CC(C)(CCl)C(=O)N1CC2(CCCN2C(=O)c2cc[nH]n2)C1	1841698217	ZGSNKXDBUXTIMA-UHFFFAOYSA-N	324.812	1.492	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccccc1O[C@@H](C)C(=O)O	1599242488	RERWNPWMWDNSIG-KWJWQAOWSA-N	318.329	1.208	50	20	DDGD	
COc1ncccc1NC(=O)NNc1ccc(C(=O)O)cn1	1599737836	UWNADKTZWZVPGQ-UHFFFAOYSA-N	303.278	1.332	50	20	DDGD	
CC1CCN(CC(=O)NNc2cccc(F)c2C(=O)O)CC1	1594415258	YXGFUUWXUUGMIF-UHFFFAOYSA-N	309.341	1.699	50	20	DDGD	
CC(C)n1ccnc1C=NNC(=O)c1ccc(C(=O)O)cc1	1776100797	ANRXISOTEKLDNV-UHFFFAOYSA-N	300.318	1.926	50	20	DDGD	
Cc1nsc(C=NNC(=O)c2cccc(F)n2)c1C(=O)O	1776094559	ZHIPEBMDKIRMSB-UHFFFAOYSA-N	308.294	1.448	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1cc(F)c(C(=O)O)cc1F	1776116238	UYEJMSZPQDQWRO-RUDMXATFSA-N	311.240	1.760	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1csc2ccc(C(=O)O)cc12	1776054892	CBLPMVBUKCHGOP-UHFFFAOYSA-N	306.343	1.821	50	20	DDGD	
C/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Cl)[C@H]2C1	1787448961	FJWBJCFSGZWWDT-ZFQZOHJYSA-N	318.776	1.077	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNC(=O)c2cccc(N(C)C)c2)c1	17252478	HASQRBWKKLYHOG-UHFFFAOYSA-N	314.345	1.358	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	18989039	UEHLSRSUWRXONF-BQYQJAHWSA-N	306.234	1.885	50	20	DDGD	
COC(=O)NNC(=O)CCc1ccccc1OC(F)(F)F	158949205	VKIZPFMSBGHYQP-UHFFFAOYSA-N	306.240	1.905	50	20	DDGD	
O=C(CNC(=O)c1ccccc1)NNc1cccc([N+](=O)[O-])c1	151492372	IOZMBBIWEKZDNU-UHFFFAOYSA-N	314.301	1.468	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)N(C)C)cc1	8292289	MQQHWBKDLNDDFZ-VSXLWIIGSA-N	302.330	1.622	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2CCC[C@H]3OCC[C@H]23)n1	152504850	BTHNUNGVDKSJJZ-FRRDWIJNSA-N	305.382	1.677	50	20	DDGD	
O=C(CSCc1ccccn1)NNc1ncccc1[N+](=O)[O-]	152736817	MBQRFIOZLWLFPU-UHFFFAOYSA-N	319.346	1.761	50	20	DDGD	
CCCCCS(=O)(=O)CC(=O)NNc1cccc(C#N)c1	152479046	PRYBZJCAIAPHKQ-UHFFFAOYSA-N	309.391	1.606	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NNc1cccc(C(F)(F)F)n1	155836650	GESBXPQWHBPIGE-NKWVEPMBSA-N	303.240	1.353	50	20	DDGD	
CS(=O)(=O)N1CCCC[C@@H]1C(=O)NNc1cccc(F)c1	154322971	ZBNYVUWPHJJEQZ-GFCCVEGCSA-N	315.370	1.083	50	20	DDGD	
C[C@H]1CCCCN1CCCNS(=O)(=O)CBr	127041084	RTEZSIBLEXAPGV-JTQLQIEISA-N	313.261	1.523	50	20	DDGD	
COCCN(CCC#N)S(=O)(=O)c1ccc(CCl)cc1	312827273	JLJBOGYARDGBNI-UHFFFAOYSA-N	316.810	1.976	50	20	DDGD	
CCN(CCOCCO)S(=O)(=O)c1ccc(CCl)cc1	380297220	SBHLPGWXKSWDNA-UHFFFAOYSA-N	321.826	1.445	50	20	DDGD	
O=C(CNC(=O)c1cccc(CCl)c1)NCC(F)(F)F	393677089	FUGRRYAPYXOLLR-UHFFFAOYSA-N	308.687	1.834	50	20	DDGD	
CN(C)CC1(C(=O)N(C)NC(=O)OCc2ccccc2)CC1	824824780	QHUHPNXRDCHMKX-UHFFFAOYSA-N	305.378	1.628	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NNC(=O)OC(C)(C)C)cc1	7405448	DAHWDXJMRXKFFK-UHFFFAOYSA-N	316.379	1.803	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(C#N)c2)cc1	103403195	DEUJEABLCWYNAK-UHFFFAOYSA-N	322.324	1.591	50	20	DDGD	
CN(C)[C@@H](C(=O)NNC(=O)Cc1cccnc1)c1ccccc1	171596277	ZCDLQGUQFCNECF-MRXNPFEDSA-N	312.373	1.074	50	20	DDGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CN(C)C	171350361	CXHSOJKKGTULPO-LBPRGKRZSA-N	315.373	1.316	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1COc2ccccc21	113053628	KAMPMPQXFHRWBA-CYBMUJFWSA-N	312.325	1.632	50	20	DDGD	
COc1c(C)cc(C(=O)NNC(=O)c2cccn2C)cc1C	179652891	OQGDRCFBYTWWRA-UHFFFAOYSA-N	301.346	1.725	50	20	DDGD	
O=C(CCc1cscn1)NNC(=O)Cc1ccccc1F	171817456	NXNZHYVTLSALPE-UHFFFAOYSA-N	307.350	1.605	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=S)N[C@H](C)C1CC1	171168915	UCXPYDCBGCMIPG-SNVBAGLBSA-N	307.419	1.532	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@H]2CCCO2)o1	67282207	CEIHOZUSUJTKSA-GFCCVEGCSA-N	309.366	1.061	50	20	DDGD	
O=C(COc1ccccc1O)NNc1cccc([N+](=O)[O-])c1	178860752	BDCQMRFUBYZGMI-UHFFFAOYSA-N	303.274	1.823	50	20	DDGD	
Cc1cc2cc(C(=O)NNC(=O)[C@@H]3CCCO3)oc2cc1C	79551863	SIURJKYTYILOKQ-LBPRGKRZSA-N	302.330	1.990	50	20	DDGD	
CCc1ccccc1NC(=O)NNC(=O)Cn1nc(C)cc1C	182895592	FQCNVKQZFBUGDM-UHFFFAOYSA-N	315.377	1.915	50	20	DDGD	
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NN(C)C(N)=O	181081724	OMCGKQONGISCJN-UHFFFAOYSA-N	321.768	1.549	50	20	DDGD	
Cc1cc(F)cc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c1	74235830	QFEHNSBFTLQAJB-CYBMUJFWSA-N	314.382	1.240	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CS[C@@H](C)[C@@H](C)O	121209538	RFJBOIPOBBQHJX-NEPJUHHUSA-N	310.419	1.187	50	20	DDGD	
Cc1nc(C(=O)NN(C)C(N)=O)nn1-c1ccccc1C(C)C	181076378	VKDAHZGWHPJRAX-UHFFFAOYSA-N	316.365	1.354	50	20	DDGD	
O=C(COc1ccccc1)NNC(=O)c1ccc(Cl)nc1	77248562	NTSGQJXSADOTKG-UHFFFAOYSA-N	305.721	1.575	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1	126569145	JHTKBXODMRHEMG-GXTWGEPZSA-N	322.453	1.722	50	20	DDGD	
CC[C@@H]1CN(C(=O)NNC(=O)c2cc3ccccc3o2)CCO1	78347482	RCVQTFFFKKBRPN-GFCCVEGCSA-N	317.345	1.898	50	20	DDGD	
CCOC(C)(C)CNC(=O)NNC(=O)Cc1ccccc1F	187591097	OOOMWJALRRAIRR-UHFFFAOYSA-N	311.357	1.514	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CCCNC(=O)c1ccccc1	77219439	BXELNLLEHLRTJY-UHFFFAOYSA-N	305.378	1.390	50	20	DDGD	
CC(C)OCC(=O)NNC(=S)NCCc1cccs1	49087571	HWUVOQNGJNDUEI-UHFFFAOYSA-N	301.437	1.211	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)NCCC2CC2)c1	80516856	OWLDALSBGUJCLX-UHFFFAOYSA-N	305.378	1.813	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)C(C)(C)O)c2ccccc2n1	192923187	NSMPRGHMEUKCIH-UHFFFAOYSA-N	315.373	1.890	50	20	DDGD	
CCC[C@@H]1CCc2nc(NC(=O)NNC(=O)CO)sc2C1	194548199	KJIKVRJJVOQRCH-MRVPVSSYSA-N	312.395	1.193	50	20	DDGD	
CC(C)(C)n1ccnc1SCC(=O)NNc1cnccn1	133340014	LHQLUIFBPUFDRO-UHFFFAOYSA-N	306.395	1.664	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccc(C#N)[nH]2)cc1C	132077784	WMQGYNLPGURJBF-UHFFFAOYSA-N	312.329	1.343	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@](C)(O)Cc2ccccc2)o1	84374137	YVAIOCZFYZOHSR-INIZCTEOSA-N	302.330	1.343	50	20	DDGD	
CCc1c(C(=O)NNC(=O)N(C)C)cnn1Cc1ccccc1	194917846	JPXPTFGWHGGHIY-UHFFFAOYSA-N	315.377	1.410	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@@H]1CCc2cn[nH]c2C1	80167283	AKCFHIFXTIDVAF-LLVKDONJSA-N	316.336	1.044	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)C(=O)NNc1ccc(Cl)c(F)c1	80100165	SINMDSYMYZJCML-ZETCQYMHSA-N	308.762	1.603	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(OC)c(OC)c1	192566050	OGFNBJSMUAKIGU-NUBYWOLOSA-N	304.346	1.762	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)n1	249518815	JBUUZQSWFFBMHC-NAWOPXAZSA-N	317.393	1.936	50	20	DDGD	
N#C/C=C(/c1ccccc1)N1CCN(C(=O)CN2CCCC2)CC1	255180097	JWFMRVQXDFLAQI-LSCVHKIXSA-N	324.428	1.791	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)/C=C\SCc2ccco2)cn1	255060313	LYQBUJXECUVXCA-XQRVVYSFSA-N	306.347	1.221	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCCO[C@H]1CCOC1	268327263	MMTNGJBKYDJRST-ZDUSSCGKSA-N	321.377	1.135	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(CC(N)=O)C(C)C	266761112	GGJFMCBGRZUKQL-UHFFFAOYSA-N	300.790	1.075	50	20	DDGD	
COCCOCCNC(=O)NNC(=O)c1cc2ccccc2o1	267347242	OUXUAWITDUREPT-UHFFFAOYSA-N	321.333	1.040	50	20	DDGD	
C[C@H](CCOc1ccccc1)C(=O)NNC(=O)N1CCOCC1	266654855	GBAAVCAKNURHEK-CYBMUJFWSA-N	321.377	1.165	50	20	DDGD	
CCc1cccnc1C(=O)NNc1nc(-c2ccncc2)no1	367333766	KRSNYJIXJZCWCE-UHFFFAOYSA-N	310.317	1.846	50	20	DDGD	
CC(C)OCC(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	278294500	AMRNJCKTYDBDGB-SNVBAGLBSA-N	314.769	1.680	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)N[C@H]1CC=CCC1	270694123	AJDSNGXGOHFWAB-NSHDSACASA-N	321.402	1.923	50	20	DDGD	
O=C(CN1CCC2(CCC2)CC1)NNC(=O)c1ccc(F)cc1	367552566	NWWRWEMYAFRUHA-UHFFFAOYSA-N	319.380	1.853	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1cc(OC)c(O)c([N+](=O)[O-])c1	276291738	JWCITPLXOFXBAR-WTKPLQERSA-N	312.303	1.608	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)[C@H](C)c2ccccn2)n1	279681663	OTOCWPWEVHQDMD-GFCCVEGCSA-N	313.361	1.832	50	20	DDGD	
C[C@@](O)(CC(=O)NNC(=O)c1ccc(Cl)cc1F)C1CC1	270176039	MBSDZMCMTKMFPN-CQSZACIVSA-N	314.744	1.791	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@@H]1CCCOCC1	271900582	JXYLSCJFRGNDAP-CYBMUJFWSA-N	321.377	1.137	50	20	DDGD	
COC(=O)N(C)NC(=O)Cc1cc(Cl)c2c(c1)OCCO2	286515019	XEPOUPIZNJLMNH-UHFFFAOYSA-N	314.725	1.383	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(OC(C)(C)C)cn1	294843087	AEPVOYCNWICPOK-UHFFFAOYSA-N	317.349	1.814	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2ccncn2)C12CCCC2	296467067	MLFSNSPDYFLLHY-NWDGAFQWSA-N	305.382	1.841	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C2=C(C)OCCC2)cc1	802052996	HXWYOTWKARCXMJ-UHFFFAOYSA-N	305.334	1.932	50	20	DDGD	
CSSCCNC(=O)N1CCN(C[C@@H]2CCCO2)CC1	807228182	QEOMNJRHFSTSQA-LBPRGKRZSA-N	319.496	1.504	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)[C@@H](O)c1ccc(Cl)cc1	295831260	ZESRDOLQXFIYLD-NEPJUHHUSA-N	312.753	1.090	50	20	DDGD	
Cc1cc2c(cc1C)[C@@H](C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)CO2	294066808	BKELQFNCUKSFJF-UBHSHLNASA-N	318.373	1.494	50	20	DDGD	
CC(C)[C@H](O)C(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	293111635	ZWVBUILIZDFTQI-CABZTGNLSA-N	314.769	1.272	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N=c2cc[nH]cc2)c1Cl	802024961	ZKDZOSDITMLOPS-UHFFFAOYSA-N	304.737	1.932	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cccc2c1OCC(=O)N2	290294768	YFKINWTXPYOUEB-UHFFFAOYSA-N	306.322	1.216	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1ccc(C#N)c(F)c1	290392977	DLTCQSRMXGIBJP-UHFFFAOYSA-N	313.379	1.763	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)C1(C(C)=O)CC1	294632679	QUZZQASTLMKUIJ-UHFFFAOYSA-N	322.386	1.304	50	20	DDGD	
COCc1cccc(CNC(=O)NNC(=O)[C@@H]2CCCCO2)c1	296210572	FBTVXPQYEVMIJN-AWEZNQCLSA-N	321.377	1.233	50	20	DDGD	
CC(C)CNC(=O)N1CCC[C@H](C(=O)NCC(Cl)Cl)C1	808128685	BTFBWMCJHVVCRL-JTQLQIEISA-N	324.252	1.984	50	20	DDGD	
COC1(CNC(=O)NNC(=O)c2ccccc2C)CCCC1	296450351	YEWOLMQOODDDJE-UHFFFAOYSA-N	305.378	1.898	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)CCNC(=O)CC(C)C)c1	294053359	YJGZVSUFDWNERU-UHFFFAOYSA-N	320.393	1.641	50	20	DDGD	
Cc1cccc2c(CC(=O)NNC(=O)N=c3cc[nH]cc3)c[nH]c12	802022790	IBXGAZLIWPXTHN-UHFFFAOYSA-N	323.356	1.689	50	20	DDGD	
Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NN(C)C1CC1)C2=O	819645209	BJHMUOOFDHOIGA-SNVBAGLBSA-N	301.346	1.105	50	20	DDGD	
CCc1ccccc1OCCC(=O)NNc1nccnc1OC	816970772	JYUAMKLKXBDWIV-UHFFFAOYSA-N	316.361	1.960	50	20	DDGD	
C=C(CBr)COC(=O)c1ccc(C(=O)OC)n1C	815402775	WPPWKSUSIQEHLC-UHFFFAOYSA-N	316.151	1.920	50	20	DDGD	
N#Cc1cccc(NNC(=O)C[C@H]2CCCS(=O)(=O)C2)c1	815850986	LFGGFJQVPWHHDL-GFCCVEGCSA-N	307.375	1.216	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)c1cc(F)c[nH]1	815885749	APZBVWRQSVRQHB-UHFFFAOYSA-N	323.349	1.716	50	20	DDGD	
C[C@H](CC(=O)NNc1ccc(C(F)(F)F)nn1)n1cccn1	819426252	CTLUNTBYXJTNAO-MRVPVSSYSA-N	314.271	1.786	50	20	DDGD	
CC(C)n1ccc(NC(=O)C(=O)NNc2cccc(Cl)n2)n1	815726018	KBWKVETWNRKQQC-UHFFFAOYSA-N	322.756	1.594	50	20	DDGD	
CC1(C)CCC1=NNC(=O)Nc1ccc(S(N)(=O)=O)cc1	814967550	PEALKIYKIULMPB-UHFFFAOYSA-N	310.379	1.632	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H]2C[C@@H](C)Cc3c[nH]nc32)n1	816837279	PQVBWSIXQPCCEM-UFBFGSQYSA-N	300.366	1.626	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)C[C@H](C)n2cccn2)o1	819197287	HYSJEOFYHXEYIX-JTQLQIEISA-N	302.338	1.961	50	20	DDGD	
COCC(=NNC(=O)C(=O)NC(C)C)c1cccc(Cl)c1	814777666	YEMQBZGYVDILDQ-UHFFFAOYSA-N	311.769	1.331	50	20	DDGD	
COCC1(C(=O)NNc2cccc(F)c2C(=O)OC)CCC1	819710444	IKZWJFWBCUKBII-UHFFFAOYSA-N	310.325	1.872	50	20	DDGD	
CC(=O)N/C(=C\c1ccccc1)C(=O)NNc1ncncc1F	817078795	VBDOHWJPBLWRMP-QPEQYQDCSA-N	315.308	1.236	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(CCc1ccccc1)C1CC1	827525418	AVPGXVBAFIBURV-UHFFFAOYSA-N	303.406	1.497	50	20	DDGD	
COC(=O)N[C@@H](CC(C)C)C(=O)NNc1nccnc1C(C)C	496122259	RWUURPQPZKXQRU-NSHDSACASA-N	323.397	1.814	50	20	DDGD	
COc1ncc(/C=C\C(=O)NNc2cccc(Cl)n2)cn1	492794621	FFBFVVVDKVMTGZ-WAYWQWQTSA-N	305.725	1.690	50	20	DDGD	
COCCN(C)NC(=O)CCN(C(=O)OC(C)(C)C)C(C)C	496718485	KGDKVOITLUXQFU-UHFFFAOYSA-N	317.430	1.631	50	20	DDGD	
CC(=NNC(=O)c1ncccc1C)c1cccc(-c2nn[nH]n2)c1	823953827	RQMILLZPRQIGDG-UHFFFAOYSA-N	321.344	1.724	50	20	DDGD	
COC(=O)CCn1nc(C)c(C=NNC(=O)CC(C)(C)C)c1C	728429777	PMSVZJQOLJRBNX-UHFFFAOYSA-N	322.409	1.949	50	20	DDGD	
CC(C)[C@H]1CC[C@@H](C)CC1=NNC(=O)[C@H](C)NS(C)(=O)=O	728437078	LZZWQJNNBLBWFJ-GRYCIOLGSA-N	317.455	1.489	50	20	DDGD	
C/C=C/C=C/C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	825029356	QKCTYVJPNMIEBH-MQQKCMAXSA-N	305.729	1.491	50	20	DDGD	
COCC1(C(=O)NN(C)C(=O)OC(C)(C)C)CCOCC1	496207180	NEMOYNQSWCNSML-UHFFFAOYSA-N	302.371	1.328	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@@H](C)c2nc[nH]n2)cc(C#N)n1C	490811461	FUTFRCOJNZHESD-XXMVTMBHSA-N	309.333	1.108	50	20	DDGD	
CC(C)Cc1ncc(C(=O)NNC(=O)[C@@H]2CCCCO2)s1	820936065	GIQLBTKCRAVGRE-JTQLQIEISA-N	311.407	1.672	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1	495449643	YEHFCCAFYFTJPT-UHFFFAOYSA-N	319.239	1.421	50	20	DDGD	
CCOC(=O)N1CCC(C(=O)NNC(=O)C2CCCC2)CC1	490540223	PFFKXKAXMAUXRZ-UHFFFAOYSA-N	311.382	1.193	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2	829227052	DNRKWCMJCYHREV-MRVWCRGKSA-N	323.437	1.117	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(O)cc1	491103775	LUMISRVNCSNLFF-PRYPJVTBSA-N	313.357	1.330	50	20	DDGD	
C[C@H]1OC(=O)N[C@H]1C(=O)NNc1ccccc1OC(F)(F)F	497054018	LPIKLYMUUYWVMP-HZGVNTEJSA-N	319.239	1.525	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C[C@]2(C)CC2(Cl)Cl)n[nH]1	827018308	IEGCLXBKGKALMY-SNVBAGLBSA-N	305.165	1.453	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCC(=O)c1c(F)cccc1F	823907227	KFMCJMFMKATVJV-SECBINFHSA-N	300.305	1.272	50	20	DDGD	
O=C1CCCN1Cc1ccc(CNS(=O)(=O)CCl)cc1	820787299	OSICDPAYVSIHAY-UHFFFAOYSA-N	316.810	1.425	50	20	DDGD	
COc1ccc(/C=C(/C#N)S(=O)(=O)N(C)C)cc1[N+](=O)[O-]	588616037	NVYTUIWGENHERX-POHAHGRESA-N	311.319	1.359	50	20	DDGD	
CCC(=O)N[C@H](CCSC)C(=O)NCC(Cl)Cl	837649012	KVXUVKNRLRFPNJ-SSDOTTSWSA-N	301.239	1.554	50	20	DDGD	
CCC[C@H](NCc1cccc(B(O)O)c1)[C@H](O)c1ccccc1	585039011	NIYROHQSCDQFON-ZWKOTPCHSA-N	313.206	1.358	50	20	DDGD	
C[C@H](CN1CCOCC1)N(C)C(=O)[C@@]1(C)C[C@H]1Br	907835609	IHSPMSHCZOCMKK-WZRBSPASSA-N	319.243	1.339	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)[C@H]2CCCCO2)cc1C	901250854	YDYYAZRGPFMVAH-CQSZACIVSA-N	304.346	1.801	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	495103551	DVXAVLMVROIHNZ-UHFFFAOYSA-N	318.268	1.276	50	20	DDGD	
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NNC(=O)c1cccc(C#N)c1	826089648	MKJRREONWBIDOY-CHWSQXEVSA-N	301.346	1.523	50	20	DDGD	
CNC(=O)NNC(=O)c1ccoc1COc1ccc(C=O)cc1	731617195	NVVNAFBAAVPGIG-UHFFFAOYSA-N	317.301	1.245	50	20	DDGD	
C[C@@]1(C(=O)NCCCOC2CCOCC2)C[C@H]1Br	906791681	IBBRENSZCXAZOO-DGCLKSJQSA-N	320.227	1.862	50	20	DDGD	
CCN(CC)C[C@H]1CCN(C(=O)/C(C#N)=C/c2cnn(C)c2)C1	491136006	UZKYQVUGMXJXMW-UVYNJXETSA-N	315.421	1.517	50	20	DDGD	
CCN(CCO)NC(=O)Cc1cccc(OCC(F)(F)F)c1	823870091	YGGLMOWAGQPRJI-UHFFFAOYSA-N	320.311	1.516	50	20	DDGD	
CCCN(NC(=O)CCNC(=O)OC)C(=O)OC(C)(C)C	495696759	USHCMGJHOKTKOM-UHFFFAOYSA-N	303.359	1.411	50	20	DDGD	
CCC(Cc1ccc(OC)c(OC)c1)=NNC(=O)c1ncon1	901290156	QMAMWYZHQLCRLO-UHFFFAOYSA-N	318.333	1.825	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1ccnn1CC1CC1	836543034	OLHQNOTYDNHSAO-NSHDSACASA-N	307.354	1.015	50	20	DDGD	
CC(C)[C@]1(C)C[C@@H]1NC(=O)NNC(=O)COc1ccccc1O	838763068	HMWWANXZHORQJD-BBRMVZONSA-N	321.377	1.536	50	20	DDGD	
O=C(NN=Cc1cccc2ccccc12)[C@@H]1CCS(=O)(=O)C1	730577486	ILEQFYCCJCJQTL-CQSZACIVSA-N	316.382	1.725	50	20	DDGD	
COc1cc(C(C)=NNC(=O)CNC(=O)OC(C)(C)C)on1	495588663	MTCYZBBYFUSZLD-UHFFFAOYSA-N	312.326	1.048	50	20	DDGD	
COCCO[C@@H]1CCN(C(=O)[C@@]2(C)C[C@@H]2Br)C1	907600419	RRJMMZRFNDUWHX-SCVCMEIPSA-N	306.200	1.424	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)Cc2ccccc2F)CCOC1	733351863	IFJXTSJYBJRFEW-OAHLLOKOSA-N	309.341	1.125	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)c(F)c1	837207944	SXDKWIMUTHAXPH-OASPWFOLSA-N	308.309	1.480	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@@H](C1CC1)[C@H](CO)C1CC1	832232717	RIZJOQFRNCMRFH-OLZOCXBDSA-N	309.859	1.722	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)COC(=O)CC2CC2)cc1C	736775870	ADVHWAXUHUIQIO-UHFFFAOYSA-N	324.402	1.723	50	20	DDGD	
Cc1cc(NNC(=O)c2cc3c(nc2O)CCCCC3)ncn1	738541971	XPBYIIQZMNUFRW-UHFFFAOYSA-N	313.361	1.911	50	20	DDGD	
COc1cc(C)c(C(C)=NNC(=O)C(=O)NC2CC2)cc1OC	731314879	XAZJLRUBALDXAJ-UHFFFAOYSA-N	319.361	1.131	50	20	DDGD	
O=C(N1CC[C@@H](B(O)O)C1)C1(Cc2ccccc2Cl)CC1	585065135	UZUFMNSIWGHZOJ-GFCCVEGCSA-N	307.586	1.738	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])[C@@]1(F)CCNC1	831827622	QUZRYQFPQWTBJP-LLVKDONJSA-N	302.693	1.393	50	20	DDGD	
CC[C@H](NCc1cccc(B(O)O)c1)c1cc(F)ccc1F	585024772	CGUAMPLYUKMOQS-INIZCTEOSA-N	305.133	1.886	50	20	DDGD	
COc1cc(CO)ccc1C(=O)NN(C)C(=O)OC(C)(C)C	909942622	YGDDTOBYVBGNLX-UHFFFAOYSA-N	310.350	1.699	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1nc2ccccc2nc1C1CC1	830690044	FPJALGBZTXFTNU-UHFFFAOYSA-N	314.345	1.039	50	20	DDGD	
COc1ccsc1C(=O)NNC(=O)COc1ccccc1O	730782314	MMOFTTNHICBQSN-UHFFFAOYSA-N	322.342	1.302	50	20	DDGD	
CC1(C)C[C@@H](CNC(=O)NNC(=O)[C@@H]2CCCCO2)CCO1	836676971	OVTHQTZZEDVBIC-RYUDHWBXSA-N	313.398	1.091	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)nn1C(C)C	831871005	OPNCIWUOUAJDJB-WDEREUQCSA-N	309.370	1.350	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCCCCO)c1C	733378044	OZLKBBDOIAFLMC-LFIBNONCSA-N	320.389	1.974	50	20	DDGD	
O=C(NCCCc1cccs1)NNC(=O)[C@@H]1CCCCO1	836381397	FMWYZPCIBSVCNQ-LBPRGKRZSA-N	311.407	1.580	50	20	DDGD	
COCCOCCNC(=O)NNc1c(C)cccc1Cl	837661073	WSBICPCNTZPTTN-UHFFFAOYSA-N	301.774	1.938	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)Cn2ccc3ccccc32)CCCCO1	837399379	UHMOIQWPGATYSB-QGZVFWFLSA-N	315.373	1.748	50	20	DDGD	
CN(C)c1ccc(NC(=O)NN=C2CCNC(=O)CC2)cc1	834962346	NMYLUCDQFRMGAD-UHFFFAOYSA-N	303.366	1.530	50	20	DDGD	
CCc1cc(Br)ccc1NNC(=O)[C@@H]1CC(=O)N1	832072165	GEWAIZDMQCUDJY-JTQLQIEISA-N	312.167	1.343	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NNc1cccnn1)c1ccccc1	736386215	GOEAXLYPGJWUHF-UHFFFAOYSA-N	314.349	1.112	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cccc(CN2CCCCC2)c1	839461336	SGCRVCGMTAJOMZ-UHFFFAOYSA-N	301.390	1.844	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc(C(=O)O)c1)[C@@H]1CCCOC1	833520469	CQPNKKJAHBEDTI-ZYHUDNBSSA-N	307.350	1.826	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN(C(C)C)C1CCC1	839521229	PCEZDUPUZICYBT-UHFFFAOYSA-N	317.433	1.948	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1	833147211	YDJLKFPXDLQJCH-NXEZZACHSA-N	309.322	1.001	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2C[C@@]2(C)C(C)C)n1	838768519	VFHPOGDHRQHGGH-DOMZBBRYSA-N	307.398	1.265	50	20	DDGD	
CON1CCC(=NNC(=O)c2c(C)nc3ccccn23)CC1	834922781	NBDQOWHRPJIMGK-UHFFFAOYSA-N	301.350	1.386	50	20	DDGD	
O=C(CN1CCNCC1)NN=C(c1ccccc1)c1ccccc1	834597534	GXWNTAVKZPFYRC-UHFFFAOYSA-N	322.412	1.460	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(Br)cnc1C	836736842	QJCPKTXNXDMYAY-UHFFFAOYSA-N	301.144	1.715	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCl)c1noc(-c2ccccc2)n1	830869228	RONQOSPWOJZISY-MRVPVSSYSA-N	301.755	1.913	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)C1(C(=O)OC(C)(C)C)CCCCC1	910140032	GAILEIZEUHOAPZ-GFCCVEGCSA-N	314.426	1.622	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc(C(=O)OC)cc1	740763140	ZABTZTGHZNFCGK-UHFFFAOYSA-N	319.361	1.228	50	20	DDGD	
C[C@H](C(=O)NN(C)C[C@@H](C)O)c1ccc(Br)cc1	910154884	IFQVEBUNAXBTPX-ZJUUUORDSA-N	315.211	1.896	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NC[C@@H]2CCCNC2)ccc1F	841923619	MAXZTSBPFMPHQG-SNVBAGLBSA-N	324.356	1.238	50	20	DDGD	
COC1([C@@H](C)NC(=O)NNc2ncc(F)cc2F)CCC1	840456848	LFUDIGXVDBRRRL-MRVPVSSYSA-N	300.309	1.944	50	20	DDGD	
CCN(CC)C(=O)CCCC(=O)NNc1ccnc(N(C)C)n1	740102948	RWIOLLGMRIZJIO-UHFFFAOYSA-N	322.413	1.024	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(C)c1	843649147	TWSBYRBTYCTRGS-CHWSQXEVSA-N	322.430	1.968	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)C(C)(C)Oc1ccc(Cl)cc1	910176124	YKOOPOOVEQENLG-JTQLQIEISA-N	300.786	1.841	50	20	DDGD	
CCCNC(=O)NNC(=O)Cc1cn(CC)c2ccccc12	748231732	HKSBSFJUKGJICV-UHFFFAOYSA-N	302.378	1.944	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CCc2cncn2C)cc1	846377809	MFUNWKATVQFFCQ-UHFFFAOYSA-N	316.361	1.212	50	20	DDGD	
C=C[C@H](C)ONC(=O)NNC(=O)COc1ccc(C)c(C)c1	845638614	ITCSWTSUYIZODA-LBPRGKRZSA-N	307.350	1.519	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1	910177261	KAAWQZHUISNHLT-UWVGGRQHSA-N	313.379	1.419	50	20	DDGD	
CC(C)O[C@H]1CCCN(C(=O)NNC(=O)Cc2cccnc2)C1	846711964	PZLPVRDDHVIXHB-AWEZNQCLSA-N	320.393	1.254	50	20	DDGD	
C[C@@H](CN)CNC(=O)NNc1ccc(C#N)cc1C(F)(F)F	841963197	PKOYMOACNDKGKZ-QMMMGPOBSA-N	315.299	1.798	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cccc2cccnc12)[C@H](C)O	842230649	XFXQTOZQKSVGTK-CMPLNLGQSA-N	301.346	1.403	50	20	DDGD	
C[C@H](OCCc1ccccc1)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843662302	SHCSFIATOSPRMN-YDHLFZDLSA-N	320.389	1.207	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2c3c(nn2C)CCC3)c1	912977269	HXPCJJIFKPUHQG-UHFFFAOYSA-N	304.375	1.354	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCC[C@@H]2c2ncccn2)cn1	912646054	DMAMOUXVJFFZML-YLHGKKIISA-N	308.345	1.481	50	20	DDGD	
CCc1c(C(=O)NNc2ncc(Br)cn2)ccn1C	848322616	IJDLVLOKNGVVBO-UHFFFAOYSA-N	324.182	1.897	50	20	DDGD	
Cn1cc(CC(=O)NNC(=O)Cc2ccncc2)c2ccccc21	747324829	KAWOJHWWVAKGKD-UHFFFAOYSA-N	322.368	1.506	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C/C=C\c1ccc(F)cc1	747755842	WZCDGEPBCAQFAO-IRCJNNKISA-N	319.380	1.909	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNC(=O)c1cc2ccccc2o1	749472940	XQBLPHBLUOWUJO-VIFPVBQESA-N	303.318	1.109	50	20	DDGD	
CC[C@](O)(CC(=O)NNC(=O)c1ccc[nH]1)c1ccccc1	840245389	UGTHBCGAVAZYDC-INIZCTEOSA-N	301.346	1.464	50	20	DDGD	
C=C[C@H](C)ONC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	845638385	GQUNASCLAWTEHO-WCQYABFASA-N	321.377	1.907	50	20	DDGD	
Cc1nc(-c2ccc(C(=O)NNC(=O)C3CCCC3)cc2)n[nH]1	746120574	CAIXGTCXCPEVFO-UHFFFAOYSA-N	313.361	1.731	50	20	DDGD	
Cn1cc(C=NNC(=O)NCc2ccco2)c(-c2cccnc2)n1	920829286	MEHSCMHBFKDJJQ-UHFFFAOYSA-N	324.344	1.908	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc2c(c1)nc(O)n2C	920288277	USJFFIMEHMXBSS-UHFFFAOYSA-N	324.340	1.662	50	20	DDGD	
Cc1ccc(CC(=O)NNc2nc3ccccc3c(=O)n2C)o1	754030547	WXBGHFPOQIABNZ-UHFFFAOYSA-N	312.329	1.521	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@]12CCC[C@@H]1C2	929294706	FCRDSJOVBYLIIY-LYOVBCGYSA-N	306.337	1.931	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cc(C(=O)NC)ccc1OC	755918512	GALOXRSMXMMYDV-SECBINFHSA-N	322.365	1.254	50	20	DDGD	
COc1c(F)ccc(F)c1C(=O)NNC(=O)c1ccccn1	755033817	HPOHNMLRMVSWCT-UHFFFAOYSA-N	307.256	1.443	50	20	DDGD	
Cc1cccnc1[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)C(C)C	858224977	ZCNANCXDEPROIB-LBPRGKRZSA-N	316.365	1.454	50	20	DDGD	
O=C(NN=C1CCOC2(CCC2)C1)[C@@H]1CN2CCC[C@@H]2CO1	853390820	NXVWULFDBQPZOE-KGLIPLIRSA-N	307.394	1.055	50	20	DDGD	
O=C(CCCc1cccnc1)NNC(=O)OCC(F)(F)F	856026307	UCOAJPBRGAINKI-UHFFFAOYSA-N	305.256	1.724	50	20	DDGD	
CC(=NNC(=O)c1ccc(O)cc1)c1cc(C(=O)O)ccc1O	757450551	DDSWJPWHACBOSH-UHFFFAOYSA-N	314.297	1.950	50	20	DDGD	
CSCC1(CCNC(=O)NNC(=O)Cc2ccncc2)CC1	852503117	LDBPGROFFNSABQ-UHFFFAOYSA-N	322.434	1.488	50	20	DDGD	
Cc1cccnc1C(=O)NNc1ccccc1S(C)(=O)=O	750235794	LVYOVYFRSSFCFS-UHFFFAOYSA-N	305.359	1.550	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=C(C)Cn2cncn2)o1	853298185	SVTXTQGPLAPTSK-UHFFFAOYSA-N	318.381	1.519	50	20	DDGD	
COc1cccc(OC)c1CNC(=O)NNC(=O)CC(C)C	852489336	HMAREYFXKZBPRV-UHFFFAOYSA-N	309.366	1.580	50	20	DDGD	
CCS(=O)(=O)CCNC(=O)NNc1ccc(C)c(F)c1	853656289	XPTHLVYJEYWUPW-UHFFFAOYSA-N	303.359	1.195	50	20	DDGD	
COc1nc(C)ccc1C(=O)NNC(=O)OCC(F)(F)F	856022504	DXQZDRKPVFGETR-UHFFFAOYSA-N	307.228	1.332	50	20	DDGD	
CCCCCCO[C@H](C)C(=O)NNC(=O)c1cccc(F)n1	856427933	KCFBNCYWCNDSGU-LLVKDONJSA-N	311.357	1.967	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2ccc(C#N)c(Cl)c2)CCC1	753318813	VFHLYLVHVUPTPZ-UHFFFAOYSA-N	306.753	1.571	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@@H](c1nc(C)cs1)C1CC1	754201242	XDZZFWRTPUCIFY-BXKDBHETSA-N	310.423	1.438	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H](c2cncn2C)N(C)C)cc1F	856228316	SNMPVLWVAUGXOU-AWEZNQCLSA-N	305.357	1.614	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)OC[C@@H](CBr)C1CC1	859541074	QMQNQRVOTWALDR-SNVBAGLBSA-N	306.200	1.865	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccccc1N(C)C1CCCC1	757697009	YAZRJQSXSMRCGT-UHFFFAOYSA-N	320.393	1.865	50	20	DDGD	
Cc1ccc2cccc(S(=O)(=O)NNC(=O)C(C)C)c2n1	753981816	SDIZDRLQDLAWID-UHFFFAOYSA-N	307.375	1.509	50	20	DDGD	
CCCNC(=O)CCCC(=O)NC[C@@]1(C)C[C@H]1Br	857404873	ZZXRHUHKDKYWRR-ZWNOBZJWSA-N	319.243	1.973	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1ccc(-n2cccn2)nc1	755858408	CFVLTWOKIHEWOW-UHFFFAOYSA-N	314.349	1.610	50	20	DDGD	
CCC[C@H](C)CC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855830486	GYRIUSNOXWWQHB-LBPRGKRZSA-N	313.442	1.903	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)C[C@H]1CSCCS1)C1CC1	752312972	JQGPTKQPZBWOTL-SCZZXKLOSA-N	319.521	1.519	50	20	DDGD	
COC[C@H](OC)C(=O)NNc1ccnc2cc(Cl)ccc12	856781983	WXUKKZSOYGMKSB-ZDUSSCGKSA-N	309.753	1.993	50	20	DDGD	
CC(CN1C(=O)CCC1=O)=NNC(=O)Cc1ccccc1F	754942553	BCJYSECOPRVQCW-UHFFFAOYSA-N	305.309	1.009	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)OCC(F)(F)F	856026548	CZWWMAOTEKZKEU-UHFFFAOYSA-N	322.239	1.394	50	20	DDGD	
O=Cc1cc(Br)cc(C(=O)NNC(=O)C2CC2)c1	858122724	ZQEVBAYIBPHVFW-UHFFFAOYSA-N	311.135	1.433	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N2CC[C@@H]3C[C@@H]3C2)c(OC)c1	852070132	OSKIROPATBNAID-GHMZBOCLSA-N	319.361	1.400	50	20	DDGD	
COc1cnc(C(=O)NNc2cc(C(F)(F)F)ccn2)nc1	857514071	RPVFMWBDTJLIPR-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
COc1cc(CC(=O)NNC(=O)CC(F)(F)F)ccc1O	855001258	XLJBDVOONQXCRA-UHFFFAOYSA-N	306.240	1.043	50	20	DDGD	
COc1c(C)ccc(NC(=O)NNC(=O)c2cnccn2)c1C	755716874	NAJQDGOXXDBORZ-UHFFFAOYSA-N	315.333	1.569	50	20	DDGD	
C[C@H](c1ccccc1)[C@H]1CCCN1CC(=O)NNC(=O)C1CC1	932277638	WGUSESHMIXOJEB-CZUORRHYSA-N	315.417	1.812	50	20	DDGD	
Cc1oc(C(=O)NNC(=O)c2cccc(N(C)C)c2)cc1CO	864559035	FERFOSKHYHQWOP-UHFFFAOYSA-N	317.345	1.221	50	20	DDGD	
CC(C)[C@H]1CC(=NNC(=O)CS(C)(=O)=O)c2ccccc21	863186716	JDCZUDYVJISPJK-CYBMUJFWSA-N	308.403	1.695	50	20	DDGD	
CC(C)C1(C(=O)NNC(=O)Cn2ccc3ccccc32)COC1	932062172	XQPNBBBHWYQYRH-UHFFFAOYSA-N	315.373	1.461	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)CNc2ccccc2)oc1C	767057288	JJRZZSZBAALBIA-UHFFFAOYSA-N	315.329	1.937	50	20	DDGD	
CCc1nncn1CCNS(=O)(=O)CC(C)(C)CCl	866893043	ZQNVKFAXXDYUFT-UHFFFAOYSA-N	308.835	1.025	50	20	DDGD	
Cc1csc(CCC(=O)NNc2nc3ccccn3n2)n1	768281697	QVCRXTOWYPKDOV-UHFFFAOYSA-N	302.363	1.570	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCC(F)(F)C2)cc1	763604051	LLXFVTCDSMIAKI-LLVKDONJSA-N	308.288	1.690	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)NCc1cocn1	763497058	UMNOFIAQXDJTPC-UHFFFAOYSA-N	322.346	1.003	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cc(OC)c(O)cc1Cl	865214644	VEWZCOREBDSZDJ-BJMVGYQFSA-N	310.737	1.724	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)/C=C\c1cccc(Cl)c1	768865493	BRNJNBGIWBGVKR-SREVYHEPSA-N	302.783	1.917	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NN=C1CCS(=O)CC1	761809522	NHQDHPBCQHHTLT-UHFFFAOYSA-N	303.387	1.656	50	20	DDGD	
Cc1ccc(C=NNC(=O)c2nn(C)c(=O)c3ccccc23)cn1	764897392	YQPSCGISICVCTE-UHFFFAOYSA-N	321.340	1.401	50	20	DDGD	
CN(CCCC(=O)NCC(Cl)Cl)C(=O)c1ccncc1	935968595	SSZIAITXEQEPGO-UHFFFAOYSA-N	318.204	1.854	50	20	DDGD	
CSCc1cccc(NC(=O)C(=O)NNC(=O)CC(C)C)c1	763888742	QCJGOCFPWIFMHY-UHFFFAOYSA-N	323.418	1.682	50	20	DDGD	
Cc1nc2ccnn2cc1C(=O)NNCC(F)(F)C(F)(F)F	863101990	QBICLLCTSFUAEB-UHFFFAOYSA-N	323.225	1.470	50	20	DDGD	
OB(O)c1cccc(CNc2ccccc2OCC(F)F)c1	864021663	DEIZTXINKUBYHF-UHFFFAOYSA-N	307.105	1.622	50	20	DDGD	
CCC1(C(=O)NNc2nc(O)c3cnn(C)c3n2)CCCCC1	764130933	LGISBXPBESPLBI-UHFFFAOYSA-N	318.381	1.873	50	20	DDGD	
CC(C)C(=O)N[C@@H](CO)C(=O)NNc1cccc(F)c1Cl	862507566	HQUCEESZYVRVOY-JTQLQIEISA-N	317.748	1.055	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1coc2c(C)cccc12	869904719	AJRRZMXWWREWBJ-UHFFFAOYSA-N	306.318	1.165	50	20	DDGD	
Cc1ccc([C@@H](C)[C@H](O)C(=O)NNC(=O)NC2CCCC2)cc1	764908241	HDIRRUCCDFCZDN-DOMZBBRYSA-N	319.405	1.732	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C2CCC2)cc1S(C)(=O)=O	765796601	OLABPJKEZMDTHL-UHFFFAOYSA-N	324.402	1.214	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCCOC(C)C)cc1	1115850725	LZVDNDLTVOVSQQ-UHFFFAOYSA-N	309.366	1.454	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1	875501294	YOPHCNMFDHXLMJ-CHWSQXEVSA-N	307.350	1.819	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccncc1Br	1116282586	NZRTVFYCHLNFSX-UHFFFAOYSA-N	317.212	1.361	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1cccnc1OCC(F)F	875436463	BPEBWGKZOFPJCS-UHFFFAOYSA-N	318.280	1.138	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNC(=S)Nc1ccc(C)c(C)c1	873765671	WBAQREMJXCXRCZ-NSHDSACASA-N	322.434	1.536	50	20	DDGD	
Cn1ccc(NNC(=O)CCc2nc(-c3ccco3)no2)n1	1116838076	TXPPOTCFPMGWLL-UHFFFAOYSA-N	302.294	1.139	50	20	DDGD	
COc1ccccc1C(=O)NN=C(C)C1CCS(=O)(=O)CC1	777436954	KENPBZDDFCQRTM-UHFFFAOYSA-N	324.402	1.626	50	20	DDGD	
C[C@H]1CC[C@H](C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)C1	776300274	GWWYAAWDOTWPSV-JQWIXIFHSA-N	324.402	1.287	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CC[C@H](C)C2)cc1C	776338300	IAWLIIGYQKMXNY-GXFFZTMASA-N	317.389	1.826	50	20	DDGD	
CN(C)c1cnc(C(=O)NNC(=O)c2cccc(Cl)c2)cn1	779645658	ILJKOWDQQWYBES-UHFFFAOYSA-N	319.752	1.271	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(C(C)=O)c(C)nc1C	777193755	SDBPNIZMHSRZFY-UHFFFAOYSA-N	315.333	1.457	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NNc1cc(Cl)ccn1	778719766	UHSOWRQOOWBZJA-ZJUUUORDSA-N	311.773	1.276	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H](C)OC[C@H]1CCCO1	772894369	WRBZXYRZEQJWDV-NWDGAFQWSA-N	308.382	1.627	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)C(=O)c2cccn2C)o1	1117666076	PKYZCGIDUUKBGS-UHFFFAOYSA-N	301.306	1.334	50	20	DDGD	
Cc1nn(C)c2ncc(NC(=O)NNC(=O)C3CCC3)cc12	779353649	MSHUCODEEXUYIV-UHFFFAOYSA-N	302.338	1.230	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1cncc(N2CCCC2)n1	878857776	TUQSTXFPMYCCKT-UHFFFAOYSA-N	319.756	1.277	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)[C@@H](F)Cc1ccccc1	777995265	VRWCVEBKDJNCJJ-LBPRGKRZSA-N	318.377	1.980	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)[C@@H]1CCCCS1(=O)=O	776146075	FHAPKRSZFKSCHY-ZDUSSCGKSA-N	320.374	1.040	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H](C1CCCCC1)N(C)C	875071221	GWUOLMILDRVSEI-LBPRGKRZSA-N	300.403	1.409	50	20	DDGD	
Cc1ccc(Nc2cccc(C(=O)NN(C)C(N)=O)c2)nn1	778417783	YBYYWYJEHHZBHP-UHFFFAOYSA-N	300.322	1.184	50	20	DDGD	
C#CCCCCCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	779706554	HSANZEFKIUFJMB-UHFFFAOYSA-N	303.318	1.940	50	20	DDGD	
CCNC(=O)NNC(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1	776971516	YGUJWQCHGGZRFD-VIFPVBQESA-N	311.769	1.899	50	20	DDGD	
C[C@H](O)c1ncc(C=NNC(=O)COCc2ccccc2)s1	773055609	ZLEZUSHWBLFQQL-NSHDSACASA-N	319.386	1.863	50	20	DDGD	
C[C@H]1CCCC[C@@H]1CCNC(=O)NNC(=O)c1cccnn1	883413061	YBPGIKAIQHSXTR-NWDGAFQWSA-N	305.382	1.637	50	20	DDGD	
CO[C@H]1CCC[C@H]1C(=O)NNC(=O)COc1ccc(C)c(C)c1	1120577426	ZMQCIMNFPHHHJX-CABCVRRESA-N	320.389	1.645	50	20	DDGD	
CC(C)COCCCNC(=O)NNc1ncncc1Cl	780959554	HWCCCVIDVLUVGS-UHFFFAOYSA-N	301.778	1.819	50	20	DDGD	
Cc1ccc(C(=O)NNc2nnc(C)c(O)n2)c(Cl)c1C	783645881	LVDFNDLSDISQNN-UHFFFAOYSA-N	307.741	1.913	50	20	DDGD	
CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NNC(=O)c1cccnn1	882057473	DVKVYLLKLMFAKY-DYEKYZERSA-N	320.393	1.612	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H]1CCc2cc(C#N)ccc21	787428375	WJLYKJXNCIINJI-CQSZACIVSA-N	300.362	1.922	50	20	DDGD	
O=C(NN=C1CCOC[C@H]1CN1CCCCC1)c1ccccn1	787144355	IXIIISLIZGXSLP-CQSZACIVSA-N	316.405	1.690	50	20	DDGD	
CC(C)(C)[C@H]1CCC[C@H]1NC(=O)NNC(=O)c1cccnn1	883693453	CAKCZRYIOCFMKL-WDEREUQCSA-N	305.382	1.635	50	20	DDGD	
Cc1nn(C)cc1[C@H](C)NC(=O)NNc1ncncc1Cl	780977346	LNZXQXKZTSTYEJ-ZETCQYMHSA-N	309.761	1.559	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1cc(Cl)cc([N+](=O)[O-])c1O	785461069	RNRCVPYKRXJQPP-UHFFFAOYSA-N	301.686	1.175	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H]2CCC[C@H](C(N)=O)C2)cc1Cl	787265048	PLTILGIRQUGRIM-UWVGGRQHSA-N	320.780	1.946	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@H]2COC(C)(C)O2)cc1	783274233	OVGPXAWMCAGESA-ZDUSSCGKSA-N	321.377	1.345	50	20	DDGD	
Cc1c[nH]cc(C(=O)NNc2cccc(C(F)(F)F)n2)c1=O	781427135	HJQHLMQGOIKYMN-UHFFFAOYSA-N	312.251	1.854	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNc2ccc(Br)nc2)CO1	784780975	ARIOHPQXKUBQIH-YUMQZZPRSA-N	300.156	1.712	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C[C@@H]1NC(=O)c2ccccc21	896150377	YSSASOXHSSQBDV-LBPRGKRZSA-N	303.362	1.445	50	20	DDGD	
COc1ccc(C(=O)NNc2ncncc2Cl)cc1[N+](=O)[O-]	781814495	OCTYYCJGUQRLFX-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
CCO[C@H](CC)C(=O)NNC(=O)NCc1ccc(Cl)cc1	787428751	LGOXHUBAAUEBAX-GFCCVEGCSA-N	313.785	1.986	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNC(=S)NC(C)(C)C	899992836	MMDGDFVTGUSDFU-LDYMZIIASA-N	309.439	1.369	50	20	DDGD	
C[S@](=O)c1ccc(CC(=O)NNc2ncc(F)cn2)cc1	797961264	IAKWLLBRHLJWLH-NRFANRHFSA-N	308.338	1.039	50	20	DDGD	
CCOC(=O)N(C)CCCC(=O)NNc1ccc(OC)cn1	897497296	YEFMTZQESMTUTE-UHFFFAOYSA-N	310.354	1.402	50	20	DDGD	
CO[C@@]1(C(=O)NNc2nc(-c3ccccc3)no2)CCSC1	896140877	XARYFGYFTYSHKY-AWEZNQCLSA-N	320.374	1.702	50	20	DDGD	
C[C@H](CS(C)(=O)=O)N(C)C(=O)c1cccc(CCl)c1	688488240	LVRDPKKUCXGWSB-SNVBAGLBSA-N	303.811	1.931	50	20	DDGD	
COc1cc(NNC(=O)c2n[nH]cc2[N+](=O)[O-])ccc1Cl	790186786	JEUJCZYSLKWBGH-UHFFFAOYSA-N	311.685	1.737	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CC(c3ccc(F)cc3)C2)n[nH]1	794393834	UIPAZSXQJKMSKO-UHFFFAOYSA-N	316.336	1.812	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCCC[C@H]1C[C@H](C)O	790429547	FNEORRQZHQFNPW-IHRRRGAJSA-N	313.442	1.194	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)NCC3CC3)cc2n1C	793208298	WISAAZCEHGJOEX-UHFFFAOYSA-N	301.350	1.236	50	20	DDGD	
CNc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)c1ccc[nH]1	1317736157	RIFWBTWGSFYRHT-UHFFFAOYSA-N	303.278	1.039	50	20	DDGD	
COC(=O)C(=O)NNC(=O)NCCc1ccc(C(C)(C)C)cc1	1318876151	FEFCZSZLHCWOTC-UHFFFAOYSA-N	321.377	1.030	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H](CC(C)C)c1ccccc1	1318942456	QCIXMNUXSUYIEM-LBPRGKRZSA-N	307.350	1.277	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C[C@H](C)C(=O)c1ccccc1	1318473230	GZJJDKSSHAIZGW-NSHDSACASA-N	307.419	1.799	50	20	DDGD	
C[S@@](=O)c1ccc(NC(=O)NNC(=O)c2ccccn2)cc1	1320423713	AMLDAUGFILTMFT-JOCHJYFZSA-N	318.358	1.286	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)c1ccccc1Cl)C1CC1	1325009102	YHJUIQDDQSSVTH-LBPRGKRZSA-N	311.769	1.709	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)c2cccc(C)n2)cn1	1322447958	WSECOCCSFVHEMR-UHFFFAOYSA-N	300.318	1.259	50	20	DDGD	
C[C@H](CC(=O)OC(C)(C)C)NC(=O)NNc1cccc(F)n1	1322568663	ZTGMDXMWAPRQRZ-SECBINFHSA-N	312.345	1.967	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NNC(=O)c2ccccc2Cl)C1	1320327259	DJPBXTROIYKQFX-SNVBAGLBSA-N	323.780	1.360	50	20	DDGD	
C[C@@H](CC(=O)NNc1nncc(N)c1Cl)[C@@H]1CCCNC1	1326302815	KREKZHYLNYURRQ-DTWKUNHWSA-N	312.805	1.181	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccccc1Cl)c1cnn(C)c1	1323561787	OXKBYSTWZQCMML-SECBINFHSA-N	306.753	1.638	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1c(Cl)cc(C)c2ncccc12	1254889154	UNESLEOSLLMBIY-UHFFFAOYSA-N	320.736	1.302	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NC[C@@H]1CCCCCN1	1335713596	IIXPSCCTEIFDSA-HNNXBMFYSA-N	318.421	1.482	50	20	DDGD	
CC(=NNC(=O)C[N+](C)(C)C)c1ccc(OCCN(C)C)cc1	1256369227	CMAUMJQNWIXVRC-UHFFFAOYSA-O	321.445	1.173	50	20	DDGD	
C[C@]1(COC(=O)CNC(=O)N2CCCC2)C[C@@H]1Br	1344037598	QHDYQUOWXDJOQI-JOYOIKCWSA-N	319.199	1.509	50	20	DDGD	
CC(C)n1nc(-c2ccco2)cc1NC(=O)NNC(=O)CCO	1344060267	FLSJKEWMOBRWBT-UHFFFAOYSA-N	321.337	1.259	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC(C(=O)NN=Cc2cnon2)CC1	1345129227	KBTLTIPUXCWYLE-UHFFFAOYSA-N	323.353	1.167	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(C(=O)O)cn2)c2nccn2c1	1600094932	ADJQQYNKKPBDFT-UHFFFAOYSA-N	311.301	1.493	50	20	DDGD	
C=C(C)C[C@@H](NC(C)=O)C(=O)NNc1ccc(C(=O)O)c(F)c1	1602755581	YGTQWZUTPCNMOR-CYBMUJFWSA-N	323.324	1.438	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2ccc3oc(O)nc3n2)c1	1602450241	QJYKJVMCWNIBKX-UHFFFAOYSA-N	314.257	1.384	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2ccc(F)c(C(=O)O)c2)cn1C	1600065976	UGWKIYRVGVAEHF-UHFFFAOYSA-N	319.292	1.288	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cc(C)c(C(=O)O)o2)n1	1607630127	SUGFDXWOQKUEPU-UHFFFAOYSA-N	304.306	1.250	50	20	DDGD	
Cn1ccc(CNC(=O)NNc2cccc(C(=O)O)c2F)n1	1600976062	MRQXVJAXBMUBLK-UHFFFAOYSA-N	307.285	1.084	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(C(=O)O)cc1N(C)C	1605551485	MTKSLCBOKHEYCG-UHFFFAOYSA-N	310.310	1.233	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@]23C[C@H]2COC32CCC2)c(F)c1	1602383533	PWEMRBOTEMFBJP-QFYYESIMSA-N	320.320	1.926	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)N[C@@H]1CCN(C2CC2)C1	1608480326	HAIUMWUBBSPMPT-SNVBAGLBSA-N	322.340	1.387	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2ccccc2C(=O)O)o1	1605252913	VNXUWTWGJGTLNB-UHFFFAOYSA-N	317.301	1.430	50	20	DDGD	
O=C(CCl)NCCSCc1ccccc1-c1nn[nH]n1	1609525538	RSXIFQQIVHJBPC-UHFFFAOYSA-N	311.798	1.455	50	20	DDGD	
C[C@H](Oc1ccccc1C=NNC(=O)[C@@H]1CCCS1)C(=O)O	1604442757	GDGUOMIIVHTIRX-GWCFXTLKSA-N	322.386	1.884	50	20	DDGD	
O=C(CCF)NNc1cc(C(=O)O)ccc1Br	1601276879	UQAMYSKVLRSOEN-UHFFFAOYSA-N	305.103	1.950	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2cc(-c3nn[nH]n3)oc2C)c1	1605862604	VNGZYIVYXRZJJJ-UHFFFAOYSA-N	316.296	1.973	50	20	DDGD	
CCC(COC)=NNC(=O)[C@H]1CCCO[C@@H]1c1ccnn1C	1549322632	ZXQSFDNRPMZZIX-JSGCOSHPSA-N	308.382	1.416	50	20	DDGD	
CCc1cccnc1C(C)=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549320095	KKWMCQFIZPMNBU-LSDHHAIUSA-N	316.405	1.347	50	20	DDGD	
C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](F)Cl)CC1	1827614464	OBECWDNSOXSRQR-TZMCWYRMSA-N	314.788	1.774	50	20	DDGD	
CCNCC(=O)NNC(=O)c1cc(-c2ccc(CC)cc2)[nH]n1	1577831417	BBMVRNPKDAWJML-UHFFFAOYSA-N	315.377	1.010	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@]12CCCNC2)c1ccc(Cl)cc1O	1580733273	QQTQVZHPTCZRJI-ABAIWWIYSA-N	323.780	1.196	50	20	DDGD	
Nc1cccc2c1CCN(S(=O)(=O)CBr)C2	1580458694	CYLLZDRCTCVYOY-UHFFFAOYSA-N	305.197	1.309	50	20	DDGD	
CC(C)(C)[C@@H](C(=O)O)C(=O)NNc1nccnc1C1CCC1	1588635082	YHCGDTDMCUYQKN-SNVBAGLBSA-N	306.366	1.934	50	20	DDGD	
C[C@H]1CCc2nc(C(=O)NNc3ncccc3C(=O)O)cn2C1	1589363942	NTDIZNGSCHYVMO-VIFPVBQESA-N	315.333	1.316	50	20	DDGD	
C=CCCn1cc(C(=O)NNc2ccc(CC(=O)O)cc2)nn1	1588817964	YYSDZRPCYMVIJK-UHFFFAOYSA-N	315.333	1.238	50	20	DDGD	
COc1cccc(NNC(=O)c2cscc2-c2nn[nH]n2)n1	1591641479	DTKAQXYZXXUDNN-UHFFFAOYSA-N	317.334	1.089	50	20	DDGD	
C[C@@H]1CN(C(=O)/C(C#N)=C/c2ccc(O)cc2)C[C@H]1CC(=O)O	1599851568	AMHHJRUYTSBBDN-POJJKDNCSA-N	314.341	1.868	50	20	DDGD	
C[Si](C)(C)OCC(=O)N1CC2(CCCN2C(=O)C(F)F)C1	1842666534	ZPGSZLVELKUVQV-UHFFFAOYSA-N	320.412	1.306	50	20	DDGD	
C[C@H](CBr)COC(=O)c1ccnc(C(=O)O)c1	1592212062	OVBCHYVSUVXGGA-SSDOTTSWSA-N	302.124	1.968	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@H]1C[C@H](C)O[C@@H]1C	1599376570	VNHCKUNXXJQTOV-IQJOONFLSA-N	308.334	1.650	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1ccc(C(=O)O)c(C2CC2)n1	1596861032	BWRVPBWAMABGBF-PKNBQFBNSA-N	315.329	1.717	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)C(C)(C)C(=O)O)c1	1594364428	DBEDIKUNBWIVNI-UHFFFAOYSA-N	313.354	1.563	50	20	DDGD	
CC[C@](C)(C(=O)O)N(CC1CC1)S(=O)(=O)CCCCl	1594784800	HRFINTLLGDHODM-GFCCVEGCSA-N	311.831	1.910	50	20	DDGD	
Cc1ccc(C=NNC(=O)c2ccc(CO)o2)cc1C(=O)O	1776097104	KRIMTGYLIQFXAP-UHFFFAOYSA-N	302.286	1.542	50	20	DDGD	
CCn1ccnc1SCC(=O)NNC(=O)c1ccc(C)cc1	12646338	DTZSCWLQZXVILW-UHFFFAOYSA-N	318.402	1.765	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CN(C)C)ccc1C(F)(F)F	161328255	YJZUDRJCNRHQHI-UHFFFAOYSA-N	318.299	1.728	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)Cc1ccoc1	161621127	DKPOCGYFTSXXOX-UHFFFAOYSA-N	303.318	1.090	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	158800143	XHAJWFPUSASRDY-UHFFFAOYSA-N	307.184	1.614	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H](O)c2ccccc2Cl)n1	158968195	SZWINXXSHQKXQI-LLVKDONJSA-N	308.725	1.315	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2n[nH]c3ccccc3c2=O)cc1	155234988	SIJIIBPNEHIXAE-UHFFFAOYSA-N	305.297	1.552	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc([N+](=O)[O-])c1)N1CCSCC1	154143498	PMVIJAHWVQFSTH-JTQLQIEISA-N	310.379	1.475	50	20	DDGD	
COc1ccc(C(=O)NNc2cccc(C(F)(F)F)n2)nn1	155861184	SKIXTJXXDFGRAE-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
CC1(C)[C@@H](O)C[C@H]1NS(=O)(=O)c1ccc(CCCl)cc1	130277970	TWFYOFDGLFEMRN-OLZOCXBDSA-N	317.838	1.906	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)N(C)NC(=O)OCc1ccccc1	862287639	WITAIQAVHPJCIP-NSHDSACASA-N	307.350	1.201	50	20	DDGD	
CCOc1ccccc1C(=O)NCC(=O)NNC(=O)CC(C)C	10160863	YTJFPCXOQUCKCE-UHFFFAOYSA-N	321.377	1.009	50	20	DDGD	
CCC(CC)N1C[C@@H](C(=O)NNC(=O)CC(C)(C)C)CC1=O	109627441	JEKZNIFDSDSZDD-NSHDSACASA-N	311.426	1.607	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)Cc1c[nH]c2ccccc12)N(C)C	106455333	GSXQRXSZKSSJRY-INIZCTEOSA-N	316.405	1.444	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1[nH]c(C)cc1C	177826011	IYXKYEZXRMIYMH-UHFFFAOYSA-N	316.361	1.513	50	20	DDGD	
CCC(CC)N1C[C@H](C(=O)NNC(=O)CC2CCCC2)CC1=O	109621332	CEQNRHYBKSAZSH-CYBMUJFWSA-N	323.437	1.751	50	20	DDGD	
CC(C)(C(=O)NNc1ncccn1)c1ccc2c(c1)OCCO2	58793815	XAOOQEAGLIQQIF-UHFFFAOYSA-N	314.345	1.669	50	20	DDGD	
CC(=O)Nc1ccc(CCNC(=O)NNc2cccnn2)cc1	172462061	ZJOUTHOKCXLCFK-UHFFFAOYSA-N	314.349	1.304	50	20	DDGD	
Cc1nccn1CCCCNC(=O)NNc1cncc(Cl)n1	175460892	DOLIMGRZTLAUTE-UHFFFAOYSA-N	323.788	1.741	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccc(C#N)c2)c(F)c1	103402913	LYPFUTZENFHYPX-UHFFFAOYSA-N	313.288	1.781	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccc(-n2cccn2)cc1	103424570	RPZWCCYHWNWFSJ-UHFFFAOYSA-N	321.340	1.271	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cccn2Cc2ccccc2)cn1	117820378	CABASJOOENWTJI-UHFFFAOYSA-N	323.356	1.345	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cccc2cc(C)cnc12	55617334	HDSKMRLIYBHLGJ-LLVKDONJSA-N	321.402	1.899	50	20	DDGD	
C[C@H](Cc1ccc(O)cc1)NC(=O)NNC(=O)c1ccccc1	56761420	LWMUDYQUEQYJRW-GFCCVEGCSA-N	313.357	1.967	50	20	DDGD	
CCc1cccc(OCC(=O)NNC(=O)NCc2ccco2)c1	65177550	NBPSJTUFPDKZNZ-UHFFFAOYSA-N	317.345	1.751	50	20	DDGD	
CNC(=O)NNC(=O)c1cccc(COc2ccccc2C#N)c1	114681547	YQGOFNWCBGTPJI-UHFFFAOYSA-N	324.340	1.711	50	20	DDGD	
CC(C)NC(=O)NNC(=O)Cc1csc(-c2cccnc2)n1	63270022	LNQBBZMOPMYIJU-UHFFFAOYSA-N	319.390	1.486	50	20	DDGD	
CC(=O)N1CCc2cc(C(=O)NNC(=O)c3cccnc3)ccc21	27635431	AYIRTEDZZASZGE-UHFFFAOYSA-N	324.340	1.065	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ncccn1)Oc1cccc(F)c1	176102417	QYQVAIHHQIUEGK-JTQLQIEISA-N	305.313	1.709	50	20	DDGD	
CCC1(C(=O)NNC(=O)COc2ccc(C#N)cc2)CCC1	177610854	ZIOPMCYVFJRPLR-UHFFFAOYSA-N	301.346	1.665	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H](C)NC(=O)c2cccs2)n1	22235932	QQTLIOIKRPNOGN-JTQLQIEISA-N	319.390	1.417	50	20	DDGD	
COC(=O)[C@H](C)Oc1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1	176951706	QMENSTANDQWYMB-GJSJWPQCSA-N	314.341	1.812	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)Cc2ccccc2F)on1	66925889	RQVXGXVIAUVOHX-UHFFFAOYSA-N	306.297	1.195	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N(C)CCn2cccn2)s1	111478747	ZNRCIKBKSDPGLC-UHFFFAOYSA-N	307.379	1.239	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)c2ccc(C#N)cc2)s1	61464640	KSGBHDHGIAVPKX-UHFFFAOYSA-N	300.343	1.706	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)Cc2ccn[nH]2)c1C	172681945	NBTNTZSZXHKHTJ-LBPRGKRZSA-N	316.361	1.184	50	20	DDGD	
CC(C)NC(=O)NNS(=O)(=O)c1ccc2ccccc2c1	62930869	JUYRGVGGOPVSBQ-UHFFFAOYSA-N	307.375	1.741	50	20	DDGD	
O=C1CN(S(=O)(=O)CCCCCl)[C@@H]2CCCC[C@@H]2N1	154676637	WOFJENLFWIXEHR-WDEREUQCSA-N	308.831	1.078	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc(C#N)cc1)c1ccccc1	61462621	XCWQAGRFZJSWDN-UHFFFAOYSA-N	322.368	1.846	50	20	DDGD	
COC1CCC(CC(=O)NNC(=O)c2cccc(C#N)c2)CC1	129506371	VMKKYHQNLOWDAJ-UHFFFAOYSA-N	315.373	1.915	50	20	DDGD	
O=C(CCCn1ccnc1)NNC(=O)Cc1ccc(Cl)cc1	122695165	VBHSXWWPZYWKOO-UHFFFAOYSA-N	320.780	1.707	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc[nH]2)cc1Cl	123227422	QPZMORFKWBRZRO-UHFFFAOYSA-N	320.736	1.376	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@@H]([C@H](C)O)C1	127715933	NGIIFGUDFXCXRQ-QWHCGFSZSA-N	313.829	1.972	50	20	DDGD	
CCCCCCCCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1	127842282	SVFNMYAFCOSITA-GFCCVEGCSA-N	318.439	1.319	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2cn3ccccc3n2)c(C)c1	32421350	OWGDZMUJYJVMCV-UHFFFAOYSA-N	322.368	1.955	50	20	DDGD	
COc1cc(F)c(NC(=O)NNC(=O)c2cccn2C)cc1F	128093743	VSCMRRLLOVSXLX-UHFFFAOYSA-N	324.287	1.778	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc2[nH]ccc2c1	124839279	VOZYNZAGYHVCLE-SECBINFHSA-N	302.334	1.300	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H](C)c2ncc(C)s2)n1	79080808	VYYWGUZWPIRGHH-QMMMGPOBSA-N	308.367	1.637	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)c1cncc(F)c1	126873879	HLFINKZOFUMQKY-UHFFFAOYSA-N	324.406	1.634	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1ccc2c(c1)CCC2	182884219	OWHGVVWXTBEMIA-UHFFFAOYSA-N	310.357	1.966	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)Nc1nc2ccccn2n1	184375230	JIUPHEOKAJSCSC-UHFFFAOYSA-N	302.338	1.462	50	20	DDGD	
CN(C)C(=O)c1ccc(C(=O)NNc2ccnc(F)c2)cc1	182410244	IDHWZUYPSGMSRH-UHFFFAOYSA-N	302.309	1.679	50	20	DDGD	
COc1cccc(NNC(=O)NCCc2nc(C(C)C)no2)n1	181264594	ADKCIRKTCPVRPY-UHFFFAOYSA-N	320.353	1.465	50	20	DDGD	
CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)CBr)C1	374656037	ADNIPIZBJDYHTN-NXEZZACHSA-N	311.245	1.085	50	20	DDGD	
CC(=O)Nc1cccc(C(=O)NNC(=O)c2cccn2C)c1C	188182295	BJVVMKZSTSYSMP-UHFFFAOYSA-N	314.345	1.367	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N[C@H]1CC12CCCCC2	180345462	MDGMSQNBACDMDR-ZDUSSCGKSA-N	302.378	1.677	50	20	DDGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1ccnnc1	131447491	JKGMPUPZWYRWCB-UHFFFAOYSA-N	311.128	1.858	50	20	DDGD	
O=C(NNc1ccncc1)C(=O)c1cnn(-c2ccccc2)c1	180488282	OFOGXQDHPZKISI-UHFFFAOYSA-N	307.313	1.593	50	20	DDGD	
O=C(NNC(=O)c1c[nH]nc1C1CC1)c1cccc([N+](=O)[O-])c1	184163030	HBJZGZLPVIMVLR-UHFFFAOYSA-N	315.289	1.270	50	20	DDGD	
CC#CCCCC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1	185319289	IZDJUNWFDCACMQ-UHFFFAOYSA-N	322.386	1.045	50	20	DDGD	
CC(=O)NNC(=O)[C@H](C)Oc1ccc(C)cc1Br	48823348	XFIQMFJSMUYVTD-QMMMGPOBSA-N	315.167	1.692	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)C(=O)Nc2ccc(F)cn2)c1	194170779	VFVKRNWEYNFHOL-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
C[C@H](NC(=O)NNc1cncc(Cl)n1)C(C)(C)CN(C)C	85424748	AVMJEMKBADZPMY-VIFPVBQESA-N	314.821	1.732	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NC1CCN(CC2CC2)CC1	193772585	UOULAUSOOWRCLT-UHFFFAOYSA-N	312.414	1.600	50	20	DDGD	
CNC(=O)c1cccc(NC(=O)NNc2ccc(Cl)nn2)c1	91992456	VYTQTRNLEATXQC-UHFFFAOYSA-N	320.740	1.638	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1ccc(OCC(N)=O)cc1	264159735	KTBFYUUVTNMPIT-UHFFFAOYSA-N	322.365	1.140	50	20	DDGD	
COC(=O)[C@@H](C)CNC(=O)c1c(C)nn(CCCl)c1C	266789883	CBSOUJFZNLSTOG-QMMMGPOBSA-N	301.774	1.278	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCC1CCOCC1	264559004	AMULPFJMRXEHHH-UHFFFAOYSA-N	307.350	1.066	50	20	DDGD	
Cc1c(NNC(=O)NCCC(=O)NC(C)C)cccc1[N+](=O)[O-]	263988523	UDGSXXPKXDMJGE-UHFFFAOYSA-N	323.353	1.444	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC2CC(F)(F)C2)cc1	277249214	QEEPAOOVKBHYHH-UHFFFAOYSA-N	313.304	1.502	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1nc(-c2cccs2)oc1C	271256482	HEAXYSGUNSXISZ-UHFFFAOYSA-N	322.390	1.947	50	20	DDGD	
CC(=O)N1CC[C@@](C)(C(=O)NNC(=O)c2cccc(Cl)c2)C1	363042374	JNPWZYALFDRMBU-OAHLLOKOSA-N	323.780	1.360	50	20	DDGD	
CCCc1ccc(N2C[C@@H](C(=O)NNC(=O)OC)CC2=O)cc1	274169828	AUIWYRDKBNKVFJ-LBPRGKRZSA-N	319.361	1.379	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(OCC(C)C)nc1	274478315	ZTDQCEAPZQVSNI-UHFFFAOYSA-N	309.370	1.814	50	20	DDGD	
CC(C)C[C@@H](CO)NC(=O)NNC(=O)CCOc1ccccc1	272212473	QKMCXAFGQPLDIX-ZDUSSCGKSA-N	323.393	1.193	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(OC)c(C2CC2)c1	277704332	LXBAPQPUZUBBJB-UHFFFAOYSA-N	321.377	1.553	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H]1CC(=O)c2ccccc21	276963616	ZLWRVBUZRCBDQS-LLVKDONJSA-N	323.443	1.215	50	20	DDGD	
COCCc1ccccc1NC(=O)NNc1nccc(OC)n1	276463909	WFYYZBDBEJRVMW-UHFFFAOYSA-N	317.349	1.823	50	20	DDGD	
CN(C)c1nc2cc(NC(=O)NNC(=O)C3CC3)ccc2o1	274084037	HORQXAVSHSCTED-UHFFFAOYSA-N	303.322	1.457	50	20	DDGD	
CC[C@H](C(=O)NNc1cc(Cl)nc(N)n1)N(CC)CC	273340771	LANZGNPXOGSKNQ-MRVPVSSYSA-N	300.794	1.276	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(C)c(C(=O)N2CCCCC2)c1	279009508	UUBKIRMXXDHCFM-UHFFFAOYSA-N	318.377	1.794	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)CC(C)(C)O)c1C	279688625	FPQDDTCFMHRNEC-LBPRGKRZSA-N	308.378	1.379	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@]1(C)CCCOC1	272641015	CNNPLNIZNWLINJ-MRXNPFEDSA-N	321.377	1.071	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NO[C@@H]2CCCCO2)cc1	275138701	PQDAZZBPYHCTBQ-CYBMUJFWSA-N	307.350	1.651	50	20	DDGD	
CC(C)NC(=O)NC1(C(=O)NNc2ncccn2)CCCCC1	280959163	YEWWHAMAFRQVJH-UHFFFAOYSA-N	320.397	1.330	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCC2(O)CCC2)cc1	284817484	ITOANXNYOWTEOQ-UHFFFAOYSA-N	305.378	1.498	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNc1cncc(Cl)n1)c1nncn1C	288507251	RTMIYJXOAUXAJS-SNVBAGLBSA-N	324.776	1.282	50	20	DDGD	
CCc1csc(CC(=O)NNC(=O)Cc2ccccc2F)n1	283055338	BXLHXFJRHTWSHW-UHFFFAOYSA-N	321.377	1.777	50	20	DDGD	
O=C(Cc1n[nH]c2ccccc12)NNC(=O)CC1CCCC1	287411963	NJLPMWIFUWMIEI-UHFFFAOYSA-N	300.362	1.833	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)CSc2ccccc2O)O1	282646437	ZTEUWHKDQYVGIW-RULNRJAQSA-N	324.402	1.445	50	20	DDGD	
CN(CCC(=O)NNC(=O)c1ccncc1)C(=O)OC(C)(C)C	286047571	IQZSMXWPSPCGOL-UHFFFAOYSA-N	322.365	1.100	50	20	DDGD	
C[C@@H](CO)CCCNC(=O)NNc1ccc2c(O)nccc2c1	288036088	SMOSCHINHPNBOD-LLVKDONJSA-N	318.377	1.975	50	20	DDGD	
C[C@H]1C[C@H](C)CN(CCCNC(=O)NNc2ccncn2)C1	296314970	LENJUXHZWRHIAJ-STQMWFEESA-N	306.414	1.471	50	20	DDGD	
CSc1ccc(NC(=O)C(=O)NNc2ncccc2F)cn1	807300403	LSVMBDFSLZHKJU-UHFFFAOYSA-N	321.337	1.419	50	20	DDGD	
COc1cc(C)cc(CNC(=O)NNC(=O)[C@@H]2CCCO2)c1	292800022	ZDOBDUOSCANQOE-ZDUSSCGKSA-N	307.350	1.013	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2c[nH]nc2[N+](=O)[O-])cc1Cl	801644057	OCEJORKQGYKQCB-UHFFFAOYSA-N	306.669	1.600	50	20	DDGD	
CS[C@H](C(=O)NNC(=O)[C@H]1CCCCO1)c1ccccc1	295360577	JFQHORWAANSHRS-OLZOCXBDSA-N	308.403	1.807	50	20	DDGD	
Cc1cc(Cl)cc(C(=O)NNC(=O)N=c2cc[nH]cc2)c1	802028852	IGTJUTPVSCQGPF-UHFFFAOYSA-N	304.737	1.932	50	20	DDGD	
Cc1nccn1C[C@@H](C)CNC(=O)NNc1ncc(F)cc1F	297253374	OOWCVQSUALNMSP-VIFPVBQESA-N	324.335	1.827	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=Cc1cc(F)ncc1F	807974685	PIBFDPVGCFUARD-UHFFFAOYSA-N	315.283	1.700	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2C[C@@H]2C2CC2)cc1	801108328	GOMSIXMZVCMPBB-OLZOCXBDSA-N	301.346	1.127	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2ccc(-n3ccnc3)nn2)on1	804958469	YIJRGZUEGPUTEM-UHFFFAOYSA-N	313.321	1.531	50	20	DDGD	
COc1cnc(NC(=O)NNC(=O)c2ccccc2C)s1	806514355	WJSZLCXXOKHIDC-UHFFFAOYSA-N	306.347	1.927	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2cccc(F)n2)c(C)c1	807390394	BMVWZWGIMVZZEP-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
CCn1cc([C@@H](C)NC(=O)NNc2nccc(OC)n2)cn1	297579757	QZVGKAIEVPGIBY-SECBINFHSA-N	305.342	1.089	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccccc1N1C[C@H](C)O[C@H](C)C1	298693982	UMCQGFJCOOPMOE-PHIMTYICSA-N	322.365	1.693	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccc(F)nc2)cc1	802056066	YVGLZHIQCRULJT-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cccc(C(F)(F)F)n1	295229881	CFNPYHAPDZUBPP-QMMMGPOBSA-N	303.240	1.040	50	20	DDGD	
O=C(NNc1ncccc1F)Nc1cnn(CC(F)F)c1	806297743	UYQNUSNSXRQUEF-UHFFFAOYSA-N	300.244	1.831	50	20	DDGD	
Cc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)[C@H]1CCCCO1	295254283	ANPNYOLWKWQNPX-RRFJBIMHSA-N	302.374	1.815	50	20	DDGD	
Cc1ccc(-c2cnc(CCC(=O)NNC(=O)N(C)C)o2)cc1	299397769	UQKLPQUMPVICQM-UHFFFAOYSA-N	316.361	1.885	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cccnc1SC(F)F	294003687	ASMWIORRXFKZRF-UHFFFAOYSA-N	301.318	1.957	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1	808246883	MRJNZTBMDFVWRP-SNVBAGLBSA-N	307.221	1.897	50	20	DDGD	
O=C(NNc1ncccc1F)Nc1cccc(-n2ccnn2)c1	806358344	LOYBOFHMWULRSI-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC2CC2)nn1-c1cccc(C#N)c1	819144173	CTAMIQLSDGAQMS-UHFFFAOYSA-N	323.356	1.614	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc(O)nc(C3CC3)n2)n1	816837325	RDABQVAZNGHSRQ-UHFFFAOYSA-N	300.322	1.223	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2ccc(C(=O)O)cc2)n1	818814414	VGEYHYRXVINKIF-UHFFFAOYSA-N	315.333	1.618	50	20	DDGD	
COc1ccc(CC(C)=NNC(=O)C(C)(C)O)c(C)c1OC	814910099	QNUXTMGQXLIDKQ-UHFFFAOYSA-N	308.378	1.818	50	20	DDGD	
CON(C)C(=O)C1CCN(C(=O)NCCSSC)CC1	813161220	SDNGUCLNLNMORF-UHFFFAOYSA-N	321.468	1.439	50	20	DDGD	
C=C[C@H](C)NC(=O)/C(C#N)=C\c1cc(-c2nn[nH]n2)n(C)c1C	819729241	FSUSJIYRVLQADJ-TXEUWIOXSA-N	311.349	1.111	50	20	DDGD	
CO[C@@](C)(CNC(=O)NNC(=O)c1cccc(C#N)c1)C1CC1	812882473	IPAXOGAKXHLCOU-INIZCTEOSA-N	316.361	1.317	50	20	DDGD	
Cn1ccc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCCO3)n1	490811586	GLKOALZXYRWSEH-FLIBITNWSA-N	310.313	1.737	50	20	DDGD	
Cc1cccc(C(=O)NNC(=S)NCC2CCC2)c1[N+](=O)[O-]	727865905	FNRLOBJCLRNDLK-UHFFFAOYSA-N	322.390	1.812	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)CC1(O)CCC1	822302408	AZIKHZADFNIDKX-UHFFFAOYSA-N	312.369	1.835	50	20	DDGD	
O=C(CCCc1nn[nH]n1)NNc1cc(F)c(F)cc1F	821163956	PYQBYUMTUALJHE-UHFFFAOYSA-N	300.244	1.083	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@@H]2C[C@H]2CC(C)C)cc1	824037098	ARRRWKZBKPPWQM-IUODEOHRSA-N	319.405	1.937	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cccnc1Cl	726076208	PIWWORFLMJNCTQ-UHFFFAOYSA-N	316.814	1.223	50	20	DDGD	
COCC(C)=NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1	491453098	RFPQRJGNFNIGIS-UHFFFAOYSA-N	313.398	1.772	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CC2(F)F)cc1OC	822188619	IBLJXLWJUIAVGP-QMMMGPOBSA-N	300.261	1.120	50	20	DDGD	
C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)/C(C#N)=C\c1cnn(C)c1	491088168	YTELTYGPAYGRMS-NFVJRJMQSA-N	313.405	1.412	50	20	DDGD	
CNC(=O)NNC(=O)c1csc(Cc2ccc(F)cc2)n1	726939421	VLNGVHWDCAILHK-UHFFFAOYSA-N	308.338	1.447	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(-c2ccc3c(c2)CCO3)no1	823947200	UBFPAJLRHSSDKW-SNVBAGLBSA-N	317.345	1.234	50	20	DDGD	
Cc1c(C(=O)NN(C)[C@H](C)CO)cnn1-c1cccc(Cl)c1	823976371	CEFAHFKRGJULRY-SNVBAGLBSA-N	322.796	1.792	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)nc(N)n1	828367190	JHQASMZQEQPHMP-VXGBXAGGSA-N	301.325	1.753	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCCC[C@H]1Cc1ccccc1	827655249	PVXVIQCBXMYTRR-INIZCTEOSA-N	317.433	1.887	50	20	DDGD	
COCCOc1ccc(NCc2ccc(B(O)O)cc2)c(C)c1	585012154	NVSJGWLHDWAOJC-UHFFFAOYSA-N	315.178	1.312	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl	824184840	MDJVHUBXQNCHTC-UHFFFAOYSA-N	323.744	1.329	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCCN2CCCC2(C)C)cn1	491084476	NZXBHEFFCCWSBF-NTEUORMPSA-N	301.394	1.318	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1cccc(Cl)n1	728074370	AVRSCLWBDGLHBH-UHFFFAOYSA-N	316.708	1.937	50	20	DDGD	
C[C@]1(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C[C@H]1Br	906901786	YNCJCESMJKVIPQ-VMAXQDLPSA-N	301.184	1.039	50	20	DDGD	
C[C@@H]1CCc2c(F)cccc2[C@@H]1NCc1ccccc1B(O)O	585026908	UAIOZVYEGAIBRY-KZULUSFZSA-N	313.181	1.919	50	20	DDGD	
C[C@]1(C(=O)NCc2ccc(C(N)=O)cc2)C[C@H]1Br	905253419	RYUXNJWBWWHQSW-MFKMUULPSA-N	311.179	1.575	50	20	DDGD	
Cc1nc(C)n(C2CN(C(=O)[C@]3(C)C[C@@H]3Br)C2)n1	907991424	GPBKWRONYIJXSB-CMPLNLGQSA-N	313.199	1.452	50	20	DDGD	
C[C@@]1(C(=O)N2CCN(c3ccncc3)CC2)C[C@@H]1Br	905360087	SHCSHJXFTLFVOP-GXTWGEPZSA-N	324.222	1.904	50	20	DDGD	
C[C@@H]1[C@@H](CO)CCCN1C(=O)/C(C#N)=C/c1ccc(O)cc1	491137411	XNWQQRBXBYETEZ-FOUVODNDSA-N	300.358	1.919	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cc(F)cc(F)c1	826448813	NBAANUUJTNRVGW-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
CC1(C)C[C@H]1CNC(=O)NNC(=O)[C@H]1COc2ccccc2O1	732825973	DTMQTMFIOJZBGV-GXFFZTMASA-N	319.361	1.203	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1cc2n(n1)CCC2	496693557	UZBBFFDXYQVYRR-UHFFFAOYSA-N	321.381	1.194	50	20	DDGD	
CCOc1cccc2c1CC[C@@H]2NCc1ccc(B(O)O)o1	585023781	LYSZHQSYFQMKMD-AWEZNQCLSA-N	301.151	1.135	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](c2ccccc2C)C1	732198787	FDTVKVYPNWIIFA-UONOGXRCSA-N	303.406	1.730	50	20	DDGD	
Cc1cc(Cl)nc(C(=O)NNC(=S)NCC2CCC2)c1	824436730	GRWZHRXCVAWPAI-UHFFFAOYSA-N	312.826	1.952	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1ccccc1F)N1CCCCC1	905089702	MMZTWLAJJKJWGM-UHFFFAOYSA-N	307.369	1.851	50	20	DDGD	
O=C(NNc1cccnn1)c1sc(N2CCCC2)nc1Cl	736703958	ATSSFDNFIJRJAT-UHFFFAOYSA-N	324.797	1.944	50	20	DDGD	
CCCN1C[C@H](C(=O)NNC(=O)c2ccc(CC)cc2)CC1=O	839464470	IUIHXIYFLLGMJI-CQSZACIVSA-N	317.389	1.269	50	20	DDGD	
CCC(C)(C)OCC(=O)NNC(=O)CNc1ccc(OC)cc1	839482778	LPRIHHNYDFSXSN-UHFFFAOYSA-N	323.393	1.460	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnc2cc(OC)ccc2c1	907253613	XDQDKUYRPWHEPU-UHFFFAOYSA-N	302.334	1.550	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]21	834348508	NMBLCDOBWXKYCP-XQQFMLRXSA-N	302.378	1.528	50	20	DDGD	
Cc1cc(N)nc(S[C@@H](C)C(=O)NNC(=O)CC(C)C)n1	731904244	IBTJHTSYKWGAOF-VIFPVBQESA-N	311.411	1.041	50	20	DDGD	
Cc1nn(C)c(C=NNC(=O)c2ccnc(N(C)C)c2)c1Cl	905447830	HFSVVYAXFFWPEE-UHFFFAOYSA-N	320.784	1.607	50	20	DDGD	
Cc1ccc(C[C@@H]2CCCN2C(=O)c2cccc(B(O)O)c2)cc1	584945994	NVQZUWZYCVICKP-SFHVURJKSA-N	323.201	1.522	50	20	DDGD	
CC[S@@](=O)CCNC(=O)NNc1cc(C(F)(F)F)ccn1	836311818	VCXXREXGYKTTPX-OAQYLSRUSA-N	324.328	1.495	50	20	DDGD	
CC(=O)c1cccc(OCCCC(=O)N2CC[C@H](B(O)O)C2)c1	585078465	ZPNDZBYZUUQFJV-AWEZNQCLSA-N	319.166	1.124	50	20	DDGD	
CN(Cc1ccc(NC(=O)c2ccc(B(O)O)cc2)cc1)C1CC1	585006121	ASPLUQZCQWGHKT-UHFFFAOYSA-N	324.189	1.213	50	20	DDGD	
Cc1cc(C=NNC(=O)Cc2cc(O)nc(S)n2)c(C)[nH]1	730587275	YILLRRSGDFTOMA-UHFFFAOYSA-N	305.363	1.109	50	20	DDGD	
CC1(C)C[C@H](O)c2cc(NCc3ccccc3B(O)O)ccc21	585036481	KWMLZWFXEKAIEW-KRWDZBQOSA-N	311.190	1.693	50	20	DDGD	
CC(C)COC[C@H](O)CNC(=O)[C@@]1(C)C[C@H]1Br	907010372	QJHYLDPFQOEBBC-FOGDFJRCSA-N	308.216	1.310	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)Cc1cc(C)ccc1F	838129840	HRGQBNGYQIQVBT-JTQLQIEISA-N	310.325	1.166	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1	734222531	JYCCFPOKYLQYIE-NWDGAFQWSA-N	312.414	1.010	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCC[C@@H](C(=O)O)C2)c(C)o1	832864943	XSRJTAYRTGHOEU-GHMZBOCLSA-N	308.334	1.548	50	20	DDGD	
CCOCCCNC(=O)NNc1ccc(C(=O)OC)c(F)c1	837326525	KSTISWVUCLTSES-UHFFFAOYSA-N	313.329	1.665	50	20	DDGD	
C[C@H](Cc1cccc(F)c1)N(C)CC(=O)NNC(=O)C(C)(C)C	839195657	MUIGAPCRAKGGFJ-GFCCVEGCSA-N	323.412	1.882	50	20	DDGD	
COc1ccc([C@@H](C)[C@H](C)NCc2cccc(B(O)O)c2)cc1	585025717	AWXFDKAJXRQQNE-KBPBESRZSA-N	313.206	1.657	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1ccc(Cl)c([N+](=O)[O-])c1	833385398	XRISSSHIXLBNDL-UHFFFAOYSA-N	314.685	1.356	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)CO[C@H]2CCC[C@@H](C)C2)n1	732950176	SBGVSFOQMJPOQV-RISCZKNCSA-N	322.409	1.243	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)[C@H]2CCCCO2)cc1O	833778884	KUECDSQDDBAEAV-IZPAUZPXSA-N	320.345	1.131	50	20	DDGD	
Cc1ccn(-c2ccc(C(=O)NNC(=O)CC(C)C)cc2)n1	915617069	IQQFYZAOPQFRHX-UHFFFAOYSA-N	300.362	1.988	50	20	DDGD	
CC(CCN(C)C)=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1	915954795	MAGDCINAKSKWSV-AEGPPILISA-N	312.458	1.176	50	20	DDGD	
CCOCCCNC(=O)NNc1cccc(Br)n1	837326767	LQZXAWOIWPJWPQ-UHFFFAOYSA-N	317.187	1.897	50	20	DDGD	
CC[C@@H]1COCCN1CCNC(=O)[C@]1(C)C[C@@H]1Br	913809757	UZZPMABHCIESPN-NTZNESFSSA-N	319.243	1.387	50	20	DDGD	
CC(C)N(C)CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	742774749	SNBRTQNSGKDGCR-UHFFFAOYSA-N	307.438	1.690	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccc(Cn2cccn2)o1	918365683	ATZGZFCJULQLHA-UHFFFAOYSA-N	316.239	1.238	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCCC(=O)c1ccccc1	911503399	SQSFCMOKYOZPCC-OCCSQVGLSA-N	318.373	1.612	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)Cc1ccc(Br)cc1F	910141623	VXZUWJMTLCROBD-QMMMGPOBSA-N	319.174	1.475	50	20	DDGD	
COC(=O)c1cc(NNC(=O)N[C@@H]2CC[C@H](CN)C2)ccc1F	842009624	DBAYDVKDJMPFEM-VHSXEESVSA-N	324.356	1.366	50	20	DDGD	
CC1=C(C)C[C@@H](C(=O)NNC(=O)CNC(=O)c2ccco2)CC1	843540675	QRAVTHNHPCAKTF-LBPRGKRZSA-N	319.361	1.293	50	20	DDGD	
CCc1cccc(OCC(=O)NNC(=O)Cc2ccncc2)c1	747324474	FWBRHWXZDNEGTQ-UHFFFAOYSA-N	313.357	1.413	50	20	DDGD	
N#Cc1cccc(NNC(=O)[C@]23CCC(=O)N2CCS3)c1	748033035	SDZAHRGCLCTKEX-CQSZACIVSA-N	302.359	1.067	50	20	DDGD	
NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ccc(C(F)(F)F)cc1	847600634	VLIVRZVHXYZIQJ-ZJUUUORDSA-N	301.268	1.660	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1	914749867	FMKKUZCHKDODDE-GFCCVEGCSA-N	317.389	1.403	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CCc2cncnc2)cc1	846376042	QGFRBMMIWHABHD-UHFFFAOYSA-N	314.345	1.268	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(Br)cc1O	910154714	FSEDQTHPPGFRJA-SSDOTTSWSA-N	303.156	1.112	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@@H]1SCCc2ccccc21	742595048	GXBVBROJYUMZLY-CYBMUJFWSA-N	321.402	1.090	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1cncc(OCC(F)(F)F)n1	849175395	WIQDADSJTMTIGC-XBXARRHUSA-N	316.239	1.800	50	20	DDGD	
C[C@H](C(=O)NNC(=O)N1CCN(C)CC1)c1ccc(Cl)cc1	846640534	WIUOVJSQWLALIL-NSHDSACASA-N	324.812	1.432	50	20	DDGD	
CSc1nc(C(C)C)nc(C)c1C(=O)NNC(=O)NC1CC1	747366361	HEDJDVLYMOWTHT-UHFFFAOYSA-N	323.422	1.737	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CC[C@](O)(CC#N)C1	844015118	DENQZRAEWBYXNP-BXKDBHETSA-N	303.200	1.673	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc3ccccc3o2)cn1	749467463	KVWIMWPRLMIUDV-UHFFFAOYSA-N	311.297	1.911	50	20	DDGD	
Cc1cccc2c1C(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)CC2	841615968	IEBXNKWSFGOMND-GFCCVEGCSA-N	306.387	1.196	50	20	DDGD	
CC(C)[C@@H](N)CNC(=O)NNC(=O)c1cn(C)c2ccccc12	841942951	DRJNZJRLYLJORF-ZDUSSCGKSA-N	317.393	1.106	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)[C@H]1CCCNC1	841929294	VKUVAMGOYXAMAV-AAEUAGOBSA-N	322.384	1.087	50	20	DDGD	
N#Cc1ccc(NNC(=O)C2(C(N)=O)CC2)cc1C(F)(F)F	746897160	SDEHOBDHAUFCKL-UHFFFAOYSA-N	312.251	1.286	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CC[C@@H](n2ccnn2)C1	911828990	CZCBHZHUYYXZTC-NXEZZACHSA-N	315.215	1.861	50	20	DDGD	
COC1([C@@H](C)NC(=O)NNC(=O)Cc2ccccc2C)CCC1	840452827	GWYPQQUTUDLHIO-CYBMUJFWSA-N	319.405	1.826	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=Cc1cccc2c1CCC2	844584898	DRCDRJMAWTYIPC-UHFFFAOYSA-N	312.329	1.069	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(NC(C)=O)cc1	748258838	CPWWYMAVUBRXMD-NSHDSACASA-N	307.350	1.147	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccc(Br)nc1	746511224	UCPLYVUJINBIMR-UHFFFAOYSA-N	312.167	1.795	50	20	DDGD	
COc1cc(C=NNC(=O)NCC2CC2)c([N+](=O)[O-])cc1OC	920829021	LJIFXMIJMWGXKB-UHFFFAOYSA-N	322.321	1.655	50	20	DDGD	
COC[C@](C)(O)C(=O)NNc1ccc(F)cc1Br	748080707	PKQCXSJHVQUTDV-NSHDSACASA-N	321.146	1.429	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1CCCC[C@@H]1S(C)(=O)=O	741456249	QLELFJZQAOZCKM-ZDUSSCGKSA-N	317.455	1.178	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CNc1ccc(C)cc1C)[C@@H](C)O	842224374	LPYDJCMKOBYEMF-CHWSQXEVSA-N	307.394	1.270	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1ccc([C@H]2C[C@H]2C)o1	843640695	DLAOJEVQOPNQBH-XWUBHJNHSA-N	320.389	1.908	50	20	DDGD	
CC(=O)N[C@@](C)(C(=O)NNC(=O)c1ccccc1C)C(C)C	929355530	VJFNKXGYASQLOW-MRXNPFEDSA-N	305.378	1.307	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)N[C@@H]2COC[C@H]2C)cc1	925990013	DHNLNFSLTYBPLX-DGCLKSJQSA-N	323.418	1.452	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cnn(C2CCCC2)c1	925871196	PNULYPOZBNJQNX-GWCFXTLKSA-N	321.381	1.576	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cnn(Cc2ccccc2)c1	921042204	FGYPLFJGDXJAMB-UHFFFAOYSA-N	301.350	1.285	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCCOCCF)c1ccccc1	852082772	TXXWWXIQWKJHGA-UHFFFAOYSA-N	311.357	1.281	50	20	DDGD	
CNc1nnc(CC(=O)NNc2ccc(F)c(F)c2F)s1	759971336	QYDBARMCEGLAKC-UHFFFAOYSA-N	317.296	1.683	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccccc2F)c(O)c1O	751531092	ZZAPHYCDAOKMGD-UHFFFAOYSA-N	304.277	1.620	50	20	DDGD	
Cc1cc(NNC(=O)NCCOCCN(C)C)ccc1Cl	922145436	WECIPNQCGPHDJB-UHFFFAOYSA-N	314.817	1.853	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1snnc1C1CC1)C1CC1	855097155	KOSRCDHCIJIZDX-ZCFIWIBFSA-N	311.436	1.323	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccnc(-c2ccccc2)c1	757808177	RKKYANNYDKPPMA-UHFFFAOYSA-N	314.345	1.938	50	20	DDGD	
CCCn1nccc1C=NNC(=O)CNc1cccc(OC)c1	853279757	WQYSQWUHDASKRI-UHFFFAOYSA-N	315.377	1.864	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ncc(Cl)cn1)CN1CCCC1	856843800	QUKAJMLMWBRZGK-JTQLQIEISA-N	312.805	1.488	50	20	DDGD	
CCC(C#N)(CC)C(=O)NNC(=O)c1ccc(OC)cc1OC	859245576	CIVLIPHRCGYYKJ-UHFFFAOYSA-N	319.361	1.795	50	20	DDGD	
Cc1ccc(Oc2ccc(NC(=O)NNC(=O)CO)cc2)nc1	756564439	UBASIOLZWLAJAR-UHFFFAOYSA-N	316.317	1.327	50	20	DDGD	
CC(C)N1CCN(C(=O)NC[C@@]2(C)C[C@H]2Br)CC1	856951118	POGXICDMDPTNLI-DGCLKSJQSA-N	318.259	1.896	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCCC(C)(C)F)c1	852553708	SVQAOSKFLGZNMH-UHFFFAOYSA-N	310.373	1.835	50	20	DDGD	
COc1ccc(OC(C)(C)C(=O)NNC(=O)CC2CC2)cc1	854667658	OCOBIDHTIOVUIX-UHFFFAOYSA-N	306.362	1.800	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNC(=O)OCC(F)(F)F	856020848	WMGMQQFUKQYQLD-UHFFFAOYSA-N	321.255	1.722	50	20	DDGD	
COc1ccc(C2(C(=O)NNC(=O)N(C)C)CCC2)cc1OC	755196906	CEQMXMOONKRULF-UHFFFAOYSA-N	321.377	1.428	50	20	DDGD	
Cc1cnc2nc(C(=O)NNc3nccnc3C3CCC3)nn2c1	854459552	LGOLOGKCCHRRRH-UHFFFAOYSA-N	324.348	1.247	50	20	DDGD	
Cc1cc(NNC(=O)[C@@]2(C(=O)OC(C)(C)C)CC2(C)C)ncn1	857127498	SSAKWVCCAZHNJO-MRXNPFEDSA-N	320.393	1.986	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=S)N[C@H](C)C2CC2)n(C)n1	855101743	YCACOSDHEPVSHC-SECBINFHSA-N	309.439	1.451	50	20	DDGD	
COC(=O)NNC(=O)[C@@]1(C(=O)OC(C)(C)C)C[C@H]2CC[C@H]1C2	856757206	LJDACJDHOKNGLY-AMJWSMQMSA-N	312.366	1.522	50	20	DDGD	
O=C(CN1CCC[C@H](C2CCCCC2)C1)NNC(=O)C1CC1	852726172	VPLIBBTVIOYJOG-HNNXBMFYSA-N	307.438	1.836	50	20	DDGD	
Cn1nnc2cc(C=NNC(=O)OCC(F)(F)F)ccc21	853431078	VNGULTDCCGNZIS-UHFFFAOYSA-N	301.228	1.591	50	20	DDGD	
Cc1nc[nH]c1C=NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	755743018	HAWUBOHUBZUSBQ-UHFFFAOYSA-N	321.362	1.277	50	20	DDGD	
C[C@@H](CCNC(=O)NNC(=O)CC(F)(F)F)N1CCCCC1	753410697	HXLUOTKMOYKOQP-JTQLQIEISA-N	324.347	1.534	50	20	DDGD	
COC(=O)[C@H](C)Oc1ccc(C=NNC(=O)NC(C)C)cc1	758375606	WRDCCAASRJOQOA-NSHDSACASA-N	307.350	1.668	50	20	DDGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3cn(CC(=O)O)nn3)nc12	759081977	AWZFHKPZUHOZMS-WTKPLQERSA-N	309.289	1.007	50	20	DDGD	
Cn1cnc2cccc(C(=O)NNC(=O)CC3CCCC3)c21	863862604	CNLJEDOPYHKNAK-UHFFFAOYSA-N	300.362	1.915	50	20	DDGD	
CC1(C)[C@]2(C(=O)NNC(=O)CC(F)(F)F)CC[C@@]1(C)C(=O)O2	862058446	LWVTVAQKDINERH-NWDGAFQWSA-N	322.283	1.208	50	20	DDGD	
C[C@@H](NNC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)C(F)(F)F	862310201	RPQZZRJHTIGSFO-MRVPVSSYSA-N	318.299	1.436	50	20	DDGD	
C[C@@]1(C(=O)NNc2ncc(F)cn2)CCOc2ccccc21	935126640	RFJOKIFLJITMIG-OAHLLOKOSA-N	302.309	1.799	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)NCc1ccncc1	764493772	AQOTYMKJWKXRQA-UHFFFAOYSA-N	320.374	1.311	50	20	DDGD	
COc1nccnc1NNC(=O)C(=O)Nc1cc(C)cc(F)c1	766260889	MKJBVVXMRHKBIX-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
CCO[C@@H]1COCC[C@H]1NS(=O)(=O)CC(C)(C)CCl	867104431	ALHWXEURDZCOCJ-GHMZBOCLSA-N	313.847	1.365	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](C)c2cnn(C)c2)c([N+](=O)[O-])c1	768328145	BQBOIPBOPAIBOU-SECBINFHSA-N	319.321	1.584	50	20	DDGD	
Cc1cc(=NNC(=O)C2CCN([C@@H]3CCSC3)CC2)cc[nH]1	862513894	NVYSQTAEBLGVBU-OAHLLOKOSA-N	320.462	1.473	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)[C@H]1C[C@@]12CCOC2	764110541	QLHWTVRWMPROIY-QMTHXVAHSA-N	301.306	1.001	50	20	DDGD	
O=C(NNC(=O)C1CC(OCc2ccccc2)C1)c1cn[nH]c1	862472666	QDVOOUGNTOCYGA-UHFFFAOYSA-N	314.345	1.166	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1c(F)ccnc1F	863098463	JYYNDSRUEJWNNH-UHFFFAOYSA-N	305.153	1.792	50	20	DDGD	
COC(C)(C)CCNC(=O)NNC(=O)Cc1ccccc1F	868990131	RUZVEZKZMFSJKC-UHFFFAOYSA-N	311.357	1.514	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(C)CCOC(C)(C)C)c1	767903287	BXYUHGZLHVMZRC-UHFFFAOYSA-N	321.421	1.503	50	20	DDGD	
Cc1cccc(NNC(=O)c2cnc(C3(C)OCCO3)s2)n1	862519567	KJTFMLWCOSMHRW-UHFFFAOYSA-N	320.374	1.823	50	20	DDGD	
O=C(Cc1csc2nccn12)NNc1ccc(Cl)nn1	768115875	NXXLHVKMWYRXQL-UHFFFAOYSA-N	308.754	1.525	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12	762622757	CDTXECCXZMPBSO-OPRDCNLKSA-N	303.453	1.352	50	20	DDGD	
COc1cc(Br)cc(C=NN(C)C(N)=O)c1O	767906658	CNYAKROMQBGSCO-UHFFFAOYSA-N	302.128	1.508	50	20	DDGD	
OB(O)[C@@H]1CCN(c2nc(C(F)(F)F)nc3ccccc23)C1	864232753	DARFJHHUBHKSEG-MRVPVSSYSA-N	311.072	1.702	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)c1	862475401	JKBXVDKEQQWYMQ-NSHDSACASA-N	323.418	1.322	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccc2nnc(O)n2c1	763091856	MMQNKDYWZROXTB-UHFFFAOYSA-N	314.261	1.100	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NC[C@@H](OC)c1cccc(OC)c1	864349909	YPFDIXYNKJOXLF-NRMKIYEFSA-N	304.346	1.943	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H](O)[C@@H](C)c1ccccc1F	865015176	WGSSRDRGJXLCQC-GXFFZTMASA-N	311.357	1.421	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	766640508	QMNTYUNCKFXMHC-HTQZYQBOSA-N	301.268	1.558	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cc([C@H]2CCCOC2)nn1C	879429044	DCEORMYRDMONSM-VIFPVBQESA-N	311.342	1.049	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2c3c(nn2C)CCCC3)n1	764679663	UIJWAGHWHDPBIZ-UHFFFAOYSA-N	300.366	1.463	50	20	DDGD	
COc1ccc2oc(C=NNC(=O)CN3CCCC3=O)cc2c1	763354977	QNCDETOUXUTOLR-UHFFFAOYSA-N	315.329	1.514	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(OC)c(OC)cc1F	878654819	XOTRHBHHPYGMKK-UHFFFAOYSA-N	301.318	1.458	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)OCC(=O)[C@@H]2CCOC2)c1	762847127	WZPXQAQPGCACNJ-CRMJKIRDSA-N	315.325	1.751	50	20	DDGD	
COCCOc1ccccc1C=NNC(=O)C1CCOCC1	1119361118	GNYWYRJLCMLPAF-UHFFFAOYSA-N	306.362	1.589	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)[C@H]2CCSC2)c1	776533694	QUPFIBLIJNFCRP-VIFPVBQESA-N	300.405	1.286	50	20	DDGD	
CCC(CC)n1nc(C)cc1C(=O)NNC(=O)c1c[nH]nc1C	775726653	YVHGSYHCQJBSCM-UHFFFAOYSA-N	318.381	1.659	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(-c2cnn(C)c2)c(C)n1	879704224	BDMJLYQGXBNLEM-UHFFFAOYSA-N	318.381	1.405	50	20	DDGD	
Cc1nc(-c2cccs2)c(CC(=O)NN(C)C(N)=O)s1	778411529	CWKXANGAOFILDL-UHFFFAOYSA-N	310.404	1.764	50	20	DDGD	
COc1cc(C)cc(NC(=O)NNC(=O)C2CCNCC2)c1C	1119015038	QVUWREHCJCNZEY-UHFFFAOYSA-N	320.393	1.464	50	20	DDGD	
COCc1ccc(CNC(=O)NN=c2cc[nH]c(C)c2)cc1	875066852	ZTBXZGREMJLBHZ-UHFFFAOYSA-N	300.362	1.785	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)[C@H]1CCCCO1)c1cccc(OC)c1	871887606	VQXFXBMHJUWDDT-KGLIPLIRSA-N	322.361	1.099	50	20	DDGD	
CC(C)(O)CCC(=O)NNC(=O)c1nc2ccccc2s1	874914299	RLEAJGLPMFTZDT-UHFFFAOYSA-N	307.375	1.608	50	20	DDGD	
COCCN(C)NC(=O)Nc1nnc(C2CCOCC2)s1	879674519	LAMGPDJZLSDNDR-UHFFFAOYSA-N	315.399	1.047	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H]2CCO[C@H]2c2ccccc2)cc[nH]1	875932914	RLAKOFJVYPQISN-CVEARBPZSA-N	312.373	1.968	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@](C)(OC)c1ccccc1	772095580	KNAUCIASGBRIGV-MEDUHNTESA-N	322.361	1.037	50	20	DDGD	
C[C@H](CBr)CN1CCC(c2nnc(N)o2)CC1	878814349	JKRURYBFCAIMAB-MRVPVSSYSA-N	303.204	1.862	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CC[C@@H](C)C2)cc1	776421044	BZKRSYUYAHLGLF-TZMCWYRMSA-N	318.373	1.735	50	20	DDGD	
CCCc1nc(C)c(NC(=O)C(=O)NNc2ccccn2)s1	777140877	CRKDFRYHPLRUSG-UHFFFAOYSA-N	319.390	1.881	50	20	DDGD	
C[C@H](CCO)C1(CNC(=O)NNC(=O)CC(C)(C)C)CCC1	776333562	KNZFRKGBIXKPJU-GFCCVEGCSA-N	313.442	1.942	50	20	DDGD	
C[C@H](CBr)COC(=O)C1CCS(=O)(=O)CC1	770370484	QMAPSHLEIMJPPJ-MRVPVSSYSA-N	313.213	1.385	50	20	DDGD	
C=C1CCC(C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1	885655643	NBAQMGFCGAVZAL-UHFFFAOYSA-N	316.357	1.737	50	20	DDGD	
Cc1nc(C2CC2)ccc1C(=O)NNC(=O)C1CCOCC1	883070722	AWUIYOYHDVEUEA-UHFFFAOYSA-N	303.362	1.455	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1sccc1-n1cnnn1	781363223	JVWWFIUYDYQMJU-UHFFFAOYSA-N	305.298	1.015	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H](NS(=O)(=O)CCCCl)C2	882032813	SVDKKZLCBIENMY-NSHDSACASA-N	319.810	1.547	50	20	DDGD	
O=C(NNC(=O)[C@]1(O)CCc2ccccc2C1)NC1CCCC1	786008679	XAMBTZTWUFOUGR-KRWDZBQOSA-N	317.389	1.179	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CCOCC2)c2n[nH]cc2c1	883062464	DKRJCKXGQQWOOA-UHFFFAOYSA-N	302.334	1.059	50	20	DDGD	
O=C(CN1CC[C@H](CF)C1)NNC(=O)c1ccccc1Cl	880295809	XSFNLSZLUVMBNG-SNVBAGLBSA-N	313.760	1.392	50	20	DDGD	
C=C(CBr)n1cc(CCNCC(F)(F)F)nn1	881315474	DXXIIBFYDPDXIC-UHFFFAOYSA-N	313.121	1.838	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2ccc(C#N)cn2)CN1C1CC1	888527060	UZHHPCXZLXIKHB-ZYHUDNBSSA-N	300.366	1.205	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccc(F)cc2F)c(O)n1	783339629	HEVWQVKNZOCRNQ-UHFFFAOYSA-N	322.271	1.456	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cn(-c2cccc(Cl)c2)nn1	780506971	YYKJFIFWGOTBJT-UHFFFAOYSA-N	322.756	1.273	50	20	DDGD	
CCOc1cc(C=NNC(=O)C(C)(C)O)cc(Cl)c1OC	785463498	POKQGZYEGLHKJC-UHFFFAOYSA-N	314.769	1.968	50	20	DDGD	
COCCOc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)COC)o1	899342359	USPNIJVEPXGIQO-SERMCNLOSA-N	309.318	1.790	50	20	DDGD	
O=C(NNC(=O)c1cccc2nsnc12)NC1CCCCC1	899940854	YEOARMKFCVGSOD-UHFFFAOYSA-N	319.390	1.968	50	20	DDGD	
C[C@H](NS(=O)(=O)c1ccc(CCl)cc1)C(=O)N(C)C	388852009	ZEQRFZWYXMTJLY-VIFPVBQESA-N	304.799	1.180	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCC(=O)[C@@H](C)C2)c1	780800373	IXCUAXFLTJWGNI-QWRGUYRKSA-N	304.346	1.922	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnnn1-c1ccccc1Cl	780708412	FINHCKPUCYGVDH-UHFFFAOYSA-N	322.756	1.227	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccc(N3CCCC3)nc2)nc1	899661907	JGMRQCQDNQJFCR-UHFFFAOYSA-N	308.345	1.705	50	20	DDGD	
C#CCN1CCC[C@@H](NC(=O)NNc2ccc(C)c(F)c2)C1	890361639	WYHUWOPLLLFHRX-CQSZACIVSA-N	304.369	1.858	50	20	DDGD	
C[C@@H]1CS(=O)(=O)CCN1C[C@@H](CBr)C1CC1	701838434	PRHOIPVTKRIHAU-MWLCHTKSSA-N	310.257	1.526	50	20	DDGD	
COc1ccccc1-n1nccc1C=NNC(=O)NCC1CC1	797401329	CIJKXSRQCODMOS-UHFFFAOYSA-N	313.361	1.924	50	20	DDGD	
Cc1cnn(C)c1C=NNC(=O)c1nnc(-c2ccccc2)o1	794902291	ULEXNZAUHGBPIB-UHFFFAOYSA-N	310.317	1.542	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2ncccc2[N+](=O)[O-])n2cccc21	790882167	LRTNNVJZDHAHPJ-LLVKDONJSA-N	315.289	1.452	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCC=C(c2ccccc2)C1	792941729	WFQDRGRERVZVIO-CYBMUJFWSA-N	301.390	1.722	50	20	DDGD	
Cc1cc(NC(=O)NNc2cccc(F)c2[N+](=O)[O-])n(C)n1	790468917	DKOARMWZNKQLKE-UHFFFAOYSA-N	308.273	1.924	50	20	DDGD	
CCc1nc(C)c(C(C)=NNC(=O)N2CCN(C)CC2)s1	790174875	RYVZSCWNPAVCQI-UHFFFAOYSA-N	309.439	1.695	50	20	DDGD	
COc1coc(C(=O)NNc2cccc3cnccc23)cc1=O	798982797	POKAHZOYPLOAIJ-UHFFFAOYSA-N	311.297	1.954	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc(C#N)ccc1Cl	794618783	VRAVTZPMVWLAKS-UHFFFAOYSA-N	302.721	1.625	50	20	DDGD	
Cc1cc[nH]c1C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	797789171	JWDZQGJUHXODRD-UHFFFAOYSA-N	309.329	1.788	50	20	DDGD	
N#Cc1ccc(Cl)c(NC(=O)C(=O)NNc2ncccn2)c1	1324120918	KUSBHQKZYWVMFQ-UHFFFAOYSA-N	316.708	1.083	50	20	DDGD	
Cn1cc(C#N)c(NC(=O)NNC(=O)c2ccccc2Cl)n1	1323830065	PBSLVHLHOBQDNZ-UHFFFAOYSA-N	318.724	1.412	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc(N2CCCC2)c1	1329338897	KNGZCADLESXXHK-SWLSCSKDSA-N	317.389	1.473	50	20	DDGD	
Cc1ccccc1[C@@H](NCC(=O)NNC(=O)C(C)C)C1CC1	1328001620	RIHUSCXJANUFPS-INIZCTEOSA-N	303.406	1.839	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H](C)[C@H]2CCOC2)cc1	1325106760	FTPUBNQLTJUKRT-JQWIXIFHSA-N	307.350	1.064	50	20	DDGD	
CCc1ncsc1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1324315198	WUTMPAODQSMFGM-UHFFFAOYSA-N	319.390	1.382	50	20	DDGD	
CCOC(=O)c1n[nH]cc1/C=C(\C#N)C(=O)NCc1ccccc1	1323771881	ZWXRZZOPQODBSI-MDWZMJQESA-N	324.340	1.810	50	20	DDGD	
Cc1cc(NNC(=O)c2cccc(CS(C)(=O)=O)c2)ncn1	1321845595	VVFLZBYYNTULKN-UHFFFAOYSA-N	320.374	1.087	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1329558096	OZVFHULYYCMHIY-WJZNIJOASA-N	317.227	1.676	50	20	DDGD	
COc1cc(C=NNC(=O)C[N+](C)(C)C)cc(C(F)(F)F)c1	1329189989	BPMPRYSYZFSWEP-UHFFFAOYSA-O	318.319	1.870	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)C(C)(C)C)c(C)c1	1254032850	CPNBHUUYWKIGQL-UHFFFAOYSA-N	307.350	1.980	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCC[C@H]1C(F)(F)F)c1cccnn1	1339778932	GPJXOLYRBHEFCZ-DTWKUNHWSA-N	316.283	1.606	50	20	DDGD	
CC(C)[C@H]1CCC[C@H](NC(=O)NNC(=O)C2CCNCC2)CC1	1331457368	VQVFRDZSGCXEGD-ZFWWWQNUSA-N	324.469	1.921	50	20	DDGD	
Cc1[nH]ccc1C(=O)NNC(=O)c1cncn1-c1ccccc1	1331098305	ZUCAXHLLMFHQFZ-UHFFFAOYSA-N	309.329	1.584	50	20	DDGD	
CS[C@@H]1CC[C@H](N(C)[C@H](C)C(=O)NNC(=O)CC(C)C)C1	1334389083	QOBUDRNCMLZENJ-FRRDWIJNSA-N	315.483	1.784	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNc1ncc(C(=O)OCC)c(C)n1	1331697101	UBYFSYFBUPHTFS-GFCCVEGCSA-N	324.381	1.610	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N[C@H]1CNCC1(C)C)c1ccccc1	1335704076	PAAXBSQNMFKICJ-KGLIPLIRSA-N	318.421	1.509	50	20	DDGD	
Cc1cc(NNC(=O)C[C@@H]2CC(=O)N2)ccc1Br	1330756013	VTGFILVMXKIJAR-VIFPVBQESA-N	312.167	1.479	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1F	1337587812	GDLOCSUJLJAOBI-UHFFFAOYSA-N	300.315	1.251	50	20	DDGD	
CCOC[C@H](NC(=O)NNc1nncc(N)c1Cl)C(C)C	1343496615	OEKCOJHRLPERSK-VIFPVBQESA-N	316.793	1.399	50	20	DDGD	
Cc1c(C(=O)NNc2cccc(F)n2)cnn1-c1ccncc1	1342728015	GFYHYJHJIQHCSH-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)N[C@@H]1Cc2ccccc2[C@H]1N	1353511358	MSQPMXUDZZBUHX-TZMCWYRMSA-N	304.394	1.378	50	20	DDGD	
C[C@@H]1Nc2ccnn2[C@@H](C)[C@H]1CCC(=O)NNc1ncccn1	1520773803	XRPORUOSMVNLSR-SRVKXCTJSA-N	315.381	1.588	50	20	DDGD	
O=C(NN[C@H](C(=O)O)C1CC1)c1ccccc1Br	1601557188	HCCRQKDRTVMSOS-JTQLQIEISA-N	313.151	1.547	50	20	DDGD	
C#CCSCCNC(=O)NNc1ccc(F)c(C(=O)O)c1	1602738030	FXMKFALXQWCJHN-UHFFFAOYSA-N	311.338	1.516	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc1	1608780850	HDUGFVSKDAOAQA-JYKNGBAOSA-N	317.345	1.116	50	20	DDGD	
CCCC(=O)N1CCC[C@H]1C(=O)NNc1ncccc1C(=O)O	1603628367	JCCRTEAMLTZVSA-NSHDSACASA-N	320.349	1.014	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)Cc1cccc(C(=O)O)c1	1600760376	PHDDWXYCRGQWDU-UHFFFAOYSA-N	319.342	1.153	50	20	DDGD	
Cn1nc(C(=O)O)cc1NC(=O)[C@@]1(C)C[C@@H]1Br	1608143820	IQJXTYVZHQCMHR-WKEGUHRASA-N	302.128	1.230	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)C1(C(F)(F)F)CCC1	1606528977	VJTSEROKCDLLMI-UHFFFAOYSA-N	303.240	1.956	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2Cc3cccnc3C2)c(F)c1	1602384699	JRVYLTINIUUIQB-LLVKDONJSA-N	315.304	1.777	50	20	DDGD	
CO[C@H](C1CC1)[C@H](C)NC(=O)NNc1cccc(C(=O)O)c1	1606668617	BFQJLZXJXWFQOG-ZANVPECISA-N	307.350	1.824	50	20	DDGD	
Cc1oc(C(=O)O)cc1C(=O)NNc1cc(C#N)cc(Cl)n1	1600827173	CIEZOPYXZYQAKK-UHFFFAOYSA-N	320.692	1.963	50	20	DDGD	
Cn1ncc(C=NNC(=O)[C@@H]2CCCO[C@@H]2c2ccccc2)n1	1549082346	CLJROUAOWGEEIB-HUUCEWRRSA-N	313.361	1.433	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@H]1C=NNC(=O)c1cc[nH]n1	1552453939	TYKBYOUKGOSDII-GWCFXTLKSA-N	302.338	1.027	50	20	DDGD	
C[C@H]1Sc2ccc(C(=O)NNC(=O)C3CC3)cc2NC1=O	15794418	JUMNCDAWJAEMBC-SSDOTTSWSA-N	305.359	1.290	50	20	DDGD	
O=C(O)CCCC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	1574697332	GOGZSICQJUVRBZ-UHFFFAOYSA-N	322.405	1.995	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCCO2)C1	1843107575	RJUILHCEKKWLQO-VXGBXAGGSA-N	314.813	1.386	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2ccnn2C)C1	1842464792	NPILYRULXJZPID-LLVKDONJSA-N	324.812	1.255	50	20	DDGD	
Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](F)Cl)o1	1847902130	QYIUUQMGOPUASR-NHCYSSNCSA-N	314.744	1.938	50	20	DDGD	
CC(=O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843361962	XQEHWGNEUYOYBK-SNVBAGLBSA-N	318.776	1.339	50	20	DDGD	
C=CCC(F)(F)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843366061	ZGORAHTYISXKSL-VIFPVBQESA-N	324.730	1.936	50	20	DDGD	
Cc1cc(C(=O)NNc2ccncn2)cc(C)c1-c1nn[nH]n1	1591930029	LHYUOYRVANYKJI-UHFFFAOYSA-N	310.321	1.030	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1noc2c1CCCCC2	1595261970	NPEUZPUKBJXZLU-UHFFFAOYSA-N	316.317	1.794	50	20	DDGD	
CN(NC(=O)C(=O)Nc1ccc(C(=O)O)cc1)c1ccccc1	1598541468	NPCJXQMVHFGZEK-UHFFFAOYSA-N	313.313	1.491	50	20	DDGD	
COc1ccc2ccccc2c1C=NNC(=O)NCC(=O)O	1599635579	NVIOLFNDCKNBIY-UHFFFAOYSA-N	301.302	1.566	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1ccc(C(=O)O)c(C2CC2)n1	1596861031	BWRVPBWAMABGBF-LUAWRHEFSA-N	315.329	1.717	50	20	DDGD	
CC[C@H](C(=O)O)C(=O)NNc1nnc(-c2ccccn2)s1	1594755770	RBZJKZSGAJNMEF-ZETCQYMHSA-N	307.335	1.154	50	20	DDGD	
CC(C)(C)OC(=O)NN=Cc1c(C(=O)O)ccc2c1OCO2	1776015153	LLHWNCCDOIUSMK-UHFFFAOYSA-N	308.290	1.972	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)O)c(O)c1)c1cccc(Cl)n1	1776092580	SPTXESXCHNSNJF-UHFFFAOYSA-N	319.704	1.903	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=Cc1ccc(OCCC(=O)O)cc1	1776102386	OLKJPOKODLIUQK-ZIAGYGMSSA-N	320.345	1.415	50	20	DDGD	
CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cl)COC)C2	1795489926	AOSBZUQZZSQSQL-USZNOCQGSA-N	302.802	1.288	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)c1ccc(NC(=O)C2CC2)cc1	14015571	GDGUAVMPGCEKJZ-UHFFFAOYSA-N	324.340	1.505	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(Cl)nc1)c1ccccc1	16123765	BFHHQLKFPHNMSO-UHFFFAOYSA-N	311.750	1.358	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccc(-c2ncn[nH]2)c1	162781595	AZXOCRZRLCMEKP-UHFFFAOYSA-N	302.338	1.216	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNc1cccc(C#N)c1	152454087	JNOMHHWHBGRCHO-UHFFFAOYSA-N	304.350	1.916	50	20	DDGD	
N#Cc1cccc(NNC(=O)CS(=O)(=O)C2CCCC2)c1	152460223	MXLCNJILCIPISF-UHFFFAOYSA-N	307.375	1.359	50	20	DDGD	
CCCn1ccc2ccc(NC(=O)NNC(=O)CCO)cc21	156082290	ZMBQPJLFLVDOPX-UHFFFAOYSA-N	304.350	1.586	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(=O)n(C)c1	156196219	NIVRUGVFJXEVER-UHFFFAOYSA-N	304.258	1.521	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2ccc3c(c2)nnn3C)c1	157218609	UDBYTVGVUCWJDF-UHFFFAOYSA-N	315.308	1.873	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H]1CCC(=O)C[C@@H]1C	154548154	YRKJVBRMHRLCDD-JQWIXIFHSA-N	304.346	1.462	50	20	DDGD	
O=C(CCC1CCCCC1)NNC(=O)CNC(=O)c1ccco1	156886001	SRCFMOYMUFEZHO-UHFFFAOYSA-N	321.377	1.517	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)NC1CC1	53492217	YGRQYJBORYTGJT-UHFFFAOYSA-N	301.350	1.092	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NNC(=O)CC(C)(C)C)s1	103180989	HNMSZEFKCWZDCE-UHFFFAOYSA-N	312.395	1.468	50	20	DDGD	
COc1ccc(CCCNC(=O)NNc2ncccn2)cc1	57389811	JRRXAYBVDKGDND-UHFFFAOYSA-N	301.350	1.744	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)/C=C/c2ccco2)cn1	105512142	OGFQLFCTEZFEMU-AATRIKPKSA-N	318.358	1.714	50	20	DDGD	
Cc1cscc1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	175387520	IJZGIDWCPRQLOL-JTQLQIEISA-N	302.421	1.162	50	20	DDGD	
COc1ccc2cc(C(=O)NNC(=O)C(C)C)c(C)nc2c1	27081691	YFBDFQARFBQQFH-UHFFFAOYSA-N	301.346	1.969	50	20	DDGD	
N#CCCn1ccc(NC(=O)NNc2cccc([N+](=O)[O-])c2)n1	179868130	ACOMSAQPZLGYIF-UHFFFAOYSA-N	315.293	1.854	50	20	DDGD	
CC1(C)CCC[C@@H](C(=O)NNC(=O)CNC(=O)c2ccco2)C1	179418028	CWDSQHVSLIZZAL-LLVKDONJSA-N	321.377	1.373	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1ccc(N2CCCC2=O)cc1	28806916	JSAWBIGBLMZWSQ-WYMLVPIESA-N	313.357	1.874	50	20	DDGD	
CN1CCOc2ccc(NC(=O)NNc3cnccn3)cc21	179889295	YZAKMFRMJBOLQH-UHFFFAOYSA-N	300.322	1.454	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCCc2ccccc2)c(=O)[nH]1	68052368	SAAHNKIYVPUICS-UHFFFAOYSA-N	313.357	1.467	50	20	DDGD	
O=C(NNC(=O)C1(O)CCSCC1)c1cccc(Cl)c1	179627477	BHIFJIVGPKXBPM-UHFFFAOYSA-N	314.794	1.359	50	20	DDGD	
CCCNC(=O)CCC(=O)NNC(=O)c1c[nH]c2ccccc12	69154814	LBVFDBCOSFQZAI-UHFFFAOYSA-N	316.361	1.235	50	20	DDGD	
C[C@@H](Cc1cccc(F)c1)C(=O)NNC(=O)NCC(F)(F)F	69171286	HPAPKZXFGYEDCR-QMMMGPOBSA-N	321.274	1.897	50	20	DDGD	
COCCOCC(=O)NNc1ccc([N+](=O)[O-])cc1Cl	125063721	GXYJMIQDDFGBDN-UHFFFAOYSA-N	303.702	1.354	50	20	DDGD	
O=Cc1ccc(OCC(=O)NNc2ccccc2[N+](=O)[O-])cc1	171348607	SSYQCQYRVANFPK-UHFFFAOYSA-N	315.285	1.929	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	124530018	TZEUXLJIBJAILQ-SKDRFNHKSA-N	314.382	1.882	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)[C@@H]1C[C@H]1c1ccco1	129181344	RRLWWYRJPWIILA-ZIAGYGMSSA-N	314.341	2.000	50	20	DDGD	
COCc1cccc(CC(=O)NNC(=S)N[C@@H](C)C2CC2)c1	189207033	YRJREAZNIWULSM-NSHDSACASA-N	321.446	1.669	50	20	DDGD	
CNC(=O)c1ccc(/C=C(\C#N)C(=O)NCCCOC)cc1	212804186	ODPRWYUBHOBUKL-GXDHUFHOSA-N	301.346	1.106	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1cc(F)c(F)cc1F	185037691	BEYBOKPHBVBSAR-UHFFFAOYSA-N	310.235	1.965	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(F)cc3nccnc23)nc(C)n1	128929247	WGLZARVSNHOJQV-UHFFFAOYSA-N	312.308	1.933	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)c1cccc(N(C)C)c1)C(C)C	74932336	CBWJCYOQEIJKQP-AWEZNQCLSA-N	322.409	1.368	50	20	DDGD	
COCCC1(C(=O)NNC(=O)Cc2ccccc2OC)CCC1	126426477	CNWARVPWBHSUHR-UHFFFAOYSA-N	320.389	1.592	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)C[C@H]1CCCCO1	123777158	ZDTQMQKATWHRNG-CYBMUJFWSA-N	306.362	1.431	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNC(=O)c1ccc[nH]1)c1cccs1	126360008	ODINMRARRYNZQM-LLVKDONJSA-N	321.406	1.323	50	20	DDGD	
Cc1ncsc1/C=C/C(=O)NNC(=O)Cc1cccnc1	186459271	MEUHTNKIUHEILS-SNAWJCMRSA-N	302.359	1.250	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NNC(=O)Cc1cc[nH]n1	186100962	ZWLZPFMFOCXVFY-GHMZBOCLSA-N	304.375	1.273	50	20	DDGD	
CC(C)C(=O)N1CCCN(S(=O)(=O)CCCCCl)CC1	184418521	ZOOVQCXXFFHEGF-UHFFFAOYSA-N	324.874	1.526	50	20	DDGD	
O=C1CCCCCN1CCCNS(=O)(=O)CCCCCl	184335552	DUQQJRYCCZUOBY-UHFFFAOYSA-N	324.874	1.718	50	20	DDGD	
COC1(C(=O)NNC(=O)CCc2ccccc2O)CCCCC1	185429100	BUHAWHACFNHGKF-UHFFFAOYSA-N	320.389	1.822	50	20	DDGD	
C[C@H](CBr)CN1CCN(C[C@@H]2CCOC2)CC1	186364848	NSPXLWAKSHVNLN-OLZOCXBDSA-N	305.260	1.672	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)CCCOC)cc1OC	44978996	DZCSBZLBVGDPRA-UHFFFAOYSA-N	324.377	1.672	50	20	DDGD	
O=C(NCC(=O)N1CCCCC1)NNc1cccc([N+](=O)[O-])c1	46514685	CULSPPGMCGSVKQ-UHFFFAOYSA-N	321.337	1.233	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc2ccn(C)c12	190590280	GVNQHSKHYQJTJB-SNVBAGLBSA-N	316.361	1.310	50	20	DDGD	
C[C@H](NC(=O)C(C)(C)C)C(=O)NNc1ncnc2ccsc12	132624893	CUOUFYVQBIXVOR-QMMMGPOBSA-N	321.406	1.685	50	20	DDGD	
COCCCC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	44955746	ADHGSCCNABTCTK-ZDUSSCGKSA-N	308.378	1.645	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1ccc(C(F)(F)F)cc1	194900392	MSLVOHFUDRULIX-UHFFFAOYSA-N	317.267	1.392	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2cccc3cccnc23)CCO1	148464244	LWKDKWPXFOOINN-LLVKDONJSA-N	314.345	1.310	50	20	DDGD	
CSCCNC(=S)NNC(=O)CCCn1cccc1	91822174	CMCUGNHSENAFNK-UHFFFAOYSA-N	300.453	1.127	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1	93177178	IOLINPWFMGQCRG-UHFFFAOYSA-N	311.769	1.150	50	20	DDGD	
CCOc1cc(C=NNC(=O)c2cc(C)n[nH]2)ccc1OC	254341318	KUIQMYVRBMGFMO-UHFFFAOYSA-N	302.334	1.889	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1c(Cl)nc2ccccn12	255866603	YYLJCBZYNDWFBH-NTMALXAHSA-N	304.737	1.657	50	20	DDGD	
COc1ccc(NNC(=O)Cn2c(C)c(C)sc2=O)cc1	267042213	WEKQPNAJNLDSGD-UHFFFAOYSA-N	307.375	1.679	50	20	DDGD	
CCOC(=O)N[C@@H](CNC(=O)NNc1cccnn1)CC(C)C	265534646	DDQZCPRAFRALFF-LLVKDONJSA-N	324.385	1.264	50	20	DDGD	
CCOCC(=O)NNc1nc(-c2ccccn2)nc2c1CCC2	269669609	KBJGTOQYAPILJJ-UHFFFAOYSA-N	313.361	1.507	50	20	DDGD	
CC(C)COc1ccc(C(=O)NNc2nccn(C)c2=O)cc1	267058967	CWXQTXOBBIQWIK-UHFFFAOYSA-N	316.361	1.572	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)CCc2ccccc2O)O1	268226520	LACSSSPSUBVFFH-JSGCOSHPSA-N	306.362	1.430	50	20	DDGD	
CSC[C@@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1O	264495833	HCWKAXCUAJZVCQ-SSDOTTSWSA-N	302.783	1.806	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H]1CC[C@H](CC)O1	268235750	MKVCOECFRKHLMH-ZFWWWQNUSA-N	320.389	1.733	50	20	DDGD	
CC[C@H](COC)NC(=O)NNC(=O)COc1cc(C)ccc1C	265734177	CAJMFEKIJHGIFE-CYBMUJFWSA-N	323.393	1.438	50	20	DDGD	
C[C@]1(CNS(=O)(=O)CBr)CCO[C@@H]1C1CC1	368770364	OJUJIMCNVNLANR-NXEZZACHSA-N	312.229	1.463	50	20	DDGD	
O=C(O)C1CN(S(=O)(=O)c2ccc(CCCCl)cc2)C1	275084150	FLDIEYCLHIEVCD-UHFFFAOYSA-N	317.794	1.563	50	20	DDGD	
O=C(NCc1ccc2c(n1)CCCC2)NNC(=O)c1ccc[nH]1	278433021	UHGJPABMSVEEIM-UHFFFAOYSA-N	313.361	1.433	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@@H]1CC(=O)N(c2ccccc2F)C1	360446843	KWKLVSRASBCECY-LLVKDONJSA-N	314.320	1.139	50	20	DDGD	
O=C(NNC(=O)C1CC1)C(=O)Nc1ccc(C(F)(F)F)cc1	274054594	LUARMOKTPFOYCU-UHFFFAOYSA-N	315.251	1.201	50	20	DDGD	
C=C(C)[C@H](CC(=O)NNC(=O)COc1ccccc1F)OCC	270150589	VTJYOSGXMBBULM-AWEZNQCLSA-N	324.352	1.723	50	20	DDGD	
C[C@H]1CCCC[C@@H]1NC(=O)NNc1ccc(-n2ccnc2)nn1	286540487	VPTKZTVXINFRLJ-RYUDHWBXSA-N	315.381	1.867	50	20	DDGD	
Cc1cc(NNC(=O)CCN(C)C(=O)OC(C)(C)C)nc(C)n1	287865590	FREBRJJRQMSQIE-UHFFFAOYSA-N	323.397	1.794	50	20	DDGD	
Cc1nc2ccc(NC(=O)NNC(=O)CC(C)(C)C)cn2n1	289752892	RGGZOPMRMISBHL-UHFFFAOYSA-N	304.354	1.627	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@H](O)C(C)C)ccc1OC(C)C	284897304	ADVMAIGKFFGPAT-CQSZACIVSA-N	324.377	1.260	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NOCCCOC)c1ccccc1	288147064	YXVWGQZATLQLRF-ZDUSSCGKSA-N	309.366	1.479	50	20	DDGD	
O=C(Cc1c(F)cccc1Cl)NNC(=O)[C@@H]1CCCCO1	295656159	VNSBEGDDNBOJIY-LBPRGKRZSA-N	314.744	1.738	50	20	DDGD	
CCc1nc2cc(NC(=O)NNC(=O)[C@@H]3CCCO3)ccc2o1	293201005	FTNPNLDPQHOZQO-LBPRGKRZSA-N	318.333	1.722	50	20	DDGD	
CC[C@H](Cc1ccccc1)NC(=O)NNC(=O)[C@@H]1CCCCO1	296170152	AINRONUVWSRUHL-CABCVRRESA-N	319.405	1.907	50	20	DDGD	
C[C@@H](CCCc1ccccc1)C(=O)NNC(=O)[C@@H]1CCCO1	292266829	ZBYXWQOQJYSSDZ-ZFWWWQNUSA-N	304.390	1.972	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cccc2[nH]ccc12	807368821	KJEVRBSVYCMZOM-UHFFFAOYSA-N	319.361	1.718	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccc3c[nH]nc3c2)c(O)c1	806527535	LPELNILBGDZCEG-UHFFFAOYSA-N	324.340	1.581	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1cncc(Cl)n1	807779292	MMTSDAXNHGYXSQ-UHFFFAOYSA-N	304.741	1.944	50	20	DDGD	
Cc1nscc1C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802101060	DWKJMKPXZMUJOY-UHFFFAOYSA-N	320.330	1.647	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)NC2CCOCC2)c1	298920205	GAWQWZRQOMNZNW-UHFFFAOYSA-N	321.377	1.192	50	20	DDGD	
COC1(C(=O)NNc2ccc(-n3ccnc3)nn2)CCCC1	804953273	JRKUHKAHRZGOPJ-UHFFFAOYSA-N	302.338	1.065	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc(F)c(Cl)c1	295303657	FHYYCYIBSCFVQM-NSHDSACASA-N	300.717	1.809	50	20	DDGD	
COCCOc1cccc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	294256838	OIDMALPFVVIBTM-FZMZJTMJSA-N	322.361	1.040	50	20	DDGD	
CN(NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccccc1	299234692	MNFROLRVAWPROI-OKILXGFUSA-N	315.373	1.329	50	20	DDGD	
Cc1cncc(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)c1	802100163	JKVCPHOLXVUMSM-UHFFFAOYSA-N	314.301	1.585	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H]1CCN(c2ccccc2Cl)C1	290598909	VCPRTHXCXQKZBO-NSHDSACASA-N	324.812	1.905	50	20	DDGD	
O=C(CCc1ccncn1)NNC(=O)Nc1ccc(Cl)cc1	802014842	XMOYAQMFMTYLOK-UHFFFAOYSA-N	319.752	1.916	50	20	DDGD	
N#Cc1cc(O)cc(C(=O)NNc2cc(Cl)nc(N)n2)c1	809752712	HKIRTQGIDIFWRH-UHFFFAOYSA-N	304.697	1.046	50	20	DDGD	
O=C(NNc1ncccc1F)c1ccc(C(=O)NC2CC2)cc1	804216070	OXWNDTZVFSKFLH-UHFFFAOYSA-N	314.320	1.870	50	20	DDGD	
C#CC[C@@H](NC(=O)NNC(=O)[C@H]1CCCCO1)c1ccccc1	296631421	YXALHWAURSUPKI-HUUCEWRRSA-N	315.373	1.651	50	20	DDGD	
NC(=O)c1csc(C(=O)NNC(=O)NC2CCCCC2)c1	299071949	SQIZPBIIQXBDHT-UHFFFAOYSA-N	310.379	1.124	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2ccc3c(c2)CCCO3)O1	292946607	NUFRAROVTCMCRW-HZMBPMFUSA-N	319.361	1.732	50	20	DDGD	
Cc1nc2ccnn2c(C)c1C(=O)NNC(=O)Nc1ccccc1	801990009	RLTMWWBOXPOAEC-UHFFFAOYSA-N	324.344	1.813	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ccnc3ccncc23)n1	807207670	BKMXIYOOOBHGNW-UHFFFAOYSA-N	315.724	1.412	50	20	DDGD	
CSSCCNC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1	807513436	NPFQAESJZUHTQN-UHFFFAOYSA-N	311.388	1.771	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=CCC(F)(F)F	817323162	SUQKWMICSNCJMS-HBNTYKKESA-N	309.332	1.786	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC[C@@H](CC(F)(F)F)C1	817281311	JPYGIDUAGABKAM-JTQLQIEISA-N	309.332	1.454	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc2ccccc2nc1O	818347165	XTMPEXAETABFGZ-UHFFFAOYSA-N	318.402	1.848	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc(F)ccc1C	810544984	MWCRZPQGMQIJHY-UHFFFAOYSA-N	313.398	1.622	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H](C2CCCC2)C1	817156688	ADIVBGYTTCMBNI-HNNXBMFYSA-N	316.405	1.877	50	20	DDGD	
Cc1nn(C)c(Cl)c1C=NNC(=O)COc1ccccc1O	814952073	JQXJUHYVIYXHSD-UHFFFAOYSA-N	322.752	1.617	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@]12CCc1ccccc12)c1ccnnc1	817693538	NELQEJKKERSFKQ-PBHICJAKSA-N	308.341	1.142	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cccc(N(C)C)c1)C1CC1	727270324	GMAPQUZZGVDLHB-SNVBAGLBSA-N	306.435	1.660	50	20	DDGD	
Cn1ccnc1CNC(=O)NNC(=O)c1c[nH]c2ccccc12	728752227	DGRCUGWJGQGRTQ-UHFFFAOYSA-N	312.333	1.046	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@]1(C(=O)OC(C)(C)C)CC1(C)C	824404440	QAOXIFSETKQQJW-HNNXBMFYSA-N	313.398	1.483	50	20	DDGD	
CCC(CC)(CC(=O)OC)NC(=O)/C(C#N)=C/c1cnn(C)c1	491162711	TYMOOOJVDZZLTR-NTUHNPAUSA-N	318.377	1.565	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(CCOC)Cc1c(C)nn(C)c1C	491086853	VJXWLLVDBZZXEQ-SDNWHVSQSA-N	320.393	1.456	50	20	DDGD	
Cc1cccc(CN(C)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	827315404	QOHCBXAOGHOLBP-OCCSQVGLSA-N	305.378	1.593	50	20	DDGD	
CCOC(=O)NNC(=O)c1n[nH]c(CC)c1Br	496523741	KLXVBQKTZKQAKQ-UHFFFAOYSA-N	305.132	1.126	50	20	DDGD	
CC[C@H]1CC(=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CCO1	820967424	OPSYYJLSYPIMAC-ZDUSSCGKSA-N	314.349	1.542	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2	823833557	DTAXIZXOFQSIFT-VIFPVBQESA-N	309.391	1.078	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCc2cccc(F)c2[C@@H]1C	827872636	FEESDBVOWCCJLX-NSHDSACASA-N	307.369	1.548	50	20	DDGD	
O=C(COc1cccc(C(F)(F)F)c1)N1CC[C@H](B(O)O)C1	585071130	NBLUJPWMZNUQDG-JTQLQIEISA-N	317.072	1.160	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)N1CC=C(C#N)CC1)C2	496417732	MHEBBCCIIFYJAP-IHRRRGAJSA-N	301.346	1.312	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cn(C)nc1C1CC1	901165566	JPORTLOJQDGPIY-UHFFFAOYSA-N	304.379	1.409	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	823922998	OFCWHTONXIMOTB-ZCFIWIBFSA-N	322.148	1.859	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2ccccc2C(=O)O)n1	820972200	AULSTXZMWDMWAR-UHFFFAOYSA-N	301.306	1.940	50	20	DDGD	
C[C@H](NC(=O)CC(C)(C)C)C(=O)NN(C)C(=O)OC(C)(C)C	496703938	VWARWURUSXRYMW-JTQLQIEISA-N	315.414	1.825	50	20	DDGD	
Cc1ccc([C@H](CF)NCc2ccc(B(O)O)cc2F)cc1	585045917	OIBDBDPQKIAYKO-INIZCTEOSA-N	305.133	1.614	50	20	DDGD	
C=CCCC(=O)[C@H]1CCCN1C(=O)/C(C#N)=C\c1cnn(C)c1	908660774	ONBKJJLONBRPMV-KQGZCTBQSA-N	312.373	1.853	50	20	DDGD	
C/C=C(/C=C/C(=O)NNC(=O)Cc1cn2ccccc2n1)CC	492153734	HNFXXQAFIQFVDS-PPIIYGQDSA-N	312.373	1.937	50	20	DDGD	
Cc1nnc(O)c(C(=O)NN=c2cc[nH]c3ccccc23)c1C	730290849	SKBLFJXBHVWJAB-UHFFFAOYSA-N	309.329	1.526	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)CCC(N)=O	905423056	YHQPWLRZRSGAQH-UHFFFAOYSA-N	308.407	1.141	50	20	DDGD	
Cc1nn2cccnc2c1C(=O)NNc1ccc(Cl)nn1	735689203	QXMKUQISTCWVEI-UHFFFAOYSA-N	303.713	1.238	50	20	DDGD	
COC(=O)[C@@H]1C[C@H](O)CN(CCO[Si](C)(C)C(C)(C)C)C1	830864967	IISAAENRWKTQSD-OLZOCXBDSA-N	317.502	1.864	50	20	DDGD	
CC(=O)Nc1ccccc1CC(=O)NNC(=O)OC(C)(C)C	497169212	STTVYVOUHVALJG-UHFFFAOYSA-N	307.350	1.743	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@H](O)c1cccnc1)c1ccccc1	732289691	BKWHEQDZTBOVKV-CQSZACIVSA-N	313.357	1.240	50	20	DDGD	
O=C(CNC(=O)OCc1ccccc1)NNC(=O)C1CCCC1	490806919	CVDFPRCLBRYNEP-UHFFFAOYSA-N	319.361	1.250	50	20	DDGD	
Cc1ccc(-c2nc(C)sc2CC(=O)NCB(O)O)cc1	585061403	RJRJNZMZLUGAOL-UHFFFAOYSA-N	304.180	1.098	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)NCc1cc[nH]n1	733039253	XVIAHIZKRQRGOJ-UHFFFAOYSA-N	322.756	1.277	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)CCc1ccc(OC)cc1	834944428	QOQZXMLMHSBVMU-UHFFFAOYSA-N	315.377	1.698	50	20	DDGD	
Cc1cnn(CC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)c1	738812625	RZIFGIOYCSGKSH-UHFFFAOYSA-N	305.246	1.404	50	20	DDGD	
CCCCCCO[C@@H](C)C(=O)NNC(=O)Cn1nc(C)cc1C	839471919	ZKZPQHSELPSUKJ-AWEZNQCLSA-N	324.425	1.633	50	20	DDGD	
C[C@]1(C(=O)N2CCC[C@@H](CCC(N)=O)C2)C[C@@H]1Br	906522441	KFTCZQGUBKSITE-KWBADKCTSA-N	317.227	1.664	50	20	DDGD	
CCC(=O)Nc1cccc(CNC(=O)NNC(=O)C2CCC2)c1	732445233	XDMCQMVXBHRZPZ-UHFFFAOYSA-N	318.377	1.666	50	20	DDGD	
C[C@@H](NCc1ccccc1B(O)O)[C@@H]1OCCc2sccc21	585042412	CTQKKRQYXKNFIS-BZNIZROVSA-N	317.219	1.220	50	20	DDGD	
COC[C@@H](C)CNC(=O)NNc1cccc(Br)n1	838480986	GJRSNIFSLZHGIO-QMMMGPOBSA-N	317.187	1.753	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2cccc(C#N)c2)CCCC1	837395190	SCODRVUTSSXHEL-UHFFFAOYSA-N	301.346	1.526	50	20	DDGD	
CN1CCC[C@H](CN(C)C(=O)[C@]2(C)C[C@@H]2Br)C1	906711164	QIGWRBHMEOSUPD-GMXVVIOVSA-N	303.244	1.960	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCCC2CC(F)(F)C2)cc1	836263226	RSOWOTNLTAKCOD-UHFFFAOYSA-N	322.315	1.938	50	20	DDGD	
COC(=O)[C@H](NNC(=O)C1CC1)c1ccc(C(F)(F)F)cc1	905747152	KDXJYOHKRWACQL-LLVKDONJSA-N	316.279	1.950	50	20	DDGD	
O=C(C[C@H]1CCC(=O)N1)NNc1ncc(Cl)cc1Cl	832395561	NWMABYHOSCBNIW-SSDOTTSWSA-N	303.149	1.500	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNc1cccc(C(=O)OC)c1F	837060863	GGYRYULJPPUGEW-NXEZZACHSA-N	312.341	1.974	50	20	DDGD	
C[C@H](c1ccccc1)N1CC[C@@H](NCc2ccc(B(O)O)cc2)C1	585022753	YJLSWVDBWYNQSO-DNVCBOLYSA-N	324.233	1.292	50	20	DDGD	
C[C@H]1C[C@@H](C)N(CC(=O)NNC(=O)c2ccc(C#N)cc2)C1	839493126	FOJYVEBLLNLAAN-NWDGAFQWSA-N	300.362	1.050	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NN=C1CCNC(=O)CC1	834977061	JRNNZAADAVEHKE-JTQLQIEISA-N	323.780	1.880	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccccc1NC(=O)OC	733139762	QNLPOYIOJQYAPB-UHFFFAOYSA-N	308.338	1.609	50	20	DDGD	
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NNC(=O)CC(C)(C)C)C1	739667989	FTLRBKLYCJFKTD-GHMZBOCLSA-N	305.444	1.266	50	20	DDGD	
CC[C@H](C)c1ncc(NC(=O)c2ccc(B(O)O)c(F)c2)cn1	584983464	MSNJMQDVWAFRSS-VIFPVBQESA-N	317.129	1.061	50	20	DDGD	
COc1ccc(OCC(=O)NN=CCCc2cnoc2)cc1	834922385	FJNGRRNNVZHDSW-UHFFFAOYSA-N	303.318	1.797	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H]2COc3ccccc3C2)nn1	730023213	OAQHBSWANGSKAU-LBPRGKRZSA-N	313.361	1.662	50	20	DDGD	
COc1ccccc1[C@@H](C)CNCc1ccc(B(O)O)cc1F	585019991	MENUPDHJQXIAMW-LBPRGKRZSA-N	317.169	1.407	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(F)c(-c2nn[nH]n2)c1	736586035	LNZDVKWEOCCLJL-BQYQJAHWSA-N	302.269	1.388	50	20	DDGD	
CN(C(=O)C1CC1)c1ccccc1C(=O)NNC(=O)C1CC1	918688002	HJUXPLBUYJFUDC-UHFFFAOYSA-N	301.346	1.230	50	20	DDGD	
CCCCSCC(=O)NNC(=O)COc1ccc(C#N)cc1	914457701	KKSDSTFFGJSNSI-UHFFFAOYSA-N	321.402	1.618	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=Cc2c(C)nn(C)c2C)c1	916314397	AOJDEBXVRKBPQK-UHFFFAOYSA-N	316.361	1.818	50	20	DDGD	
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NNc1nc[nH]n1	839770492	VPEWUWHNDJPALZ-JTQLQIEISA-N	304.310	1.425	50	20	DDGD	
CC(C)C(=O)NNC(=O)CCC(=O)CCC(=O)c1cccs1	915189218	DVSJMGOAWWZEIC-UHFFFAOYSA-N	324.402	1.864	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccnc(OC2CCCCC2)c1	910155182	KRBUPPJSWFVXNT-GFCCVEGCSA-N	307.394	1.751	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2c[nH]nc2C)cc1[N+](=O)[O-]	746601641	PKWRUCBLWJHVHU-UHFFFAOYSA-N	317.305	1.264	50	20	DDGD	
CC(C)CN1N=C(C(=O)N(C)CC(Cl)Cl)CCC1=O	848084882	ZNUMNYGJFLKEAK-UHFFFAOYSA-N	308.209	1.883	50	20	DDGD	
NCC1(C(=O)NNc2ncc(Br)cn2)CCCC1	848436126	GZNZLUWWFAMNJA-UHFFFAOYSA-N	314.187	1.201	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1cccnc1	843654709	JYJWUKJARRCPEV-XBFCOCLRSA-N	305.378	1.394	50	20	DDGD	
CC(C)Cn1ncc2cc(C(=O)NNC(=O)NC3CC3)cnc21	748232306	QCCHPRXVOCUSPN-UHFFFAOYSA-N	316.365	1.194	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cnn(-c2ccccc2)c1)[C@@H](C)O	842231061	FCBKWGAMXJEVDY-BXUZGUMPSA-N	316.361	1.040	50	20	DDGD	
Cc1cc(C=NNC(=O)C(=O)NC(C)C)c(C)n1CC(C)C	744817020	CJOSESAGQUGCML-UHFFFAOYSA-N	306.410	1.736	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC[C@H](c2ccccc2)C1	744394223	DAQGFXDWTSDIKX-AWEZNQCLSA-N	303.406	1.669	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1sccc1Br	917719451	BOOQESLKHJXJKP-UHFFFAOYSA-N	313.198	1.230	50	20	DDGD	
Cc1n[nH]cc1S(=O)(=O)NNC(=O)c1cc2ccccc2o1	749867347	URODREMFTOEMMS-UHFFFAOYSA-N	320.330	1.088	50	20	DDGD	
COc1ccc2c(c1OC)OCC2=NNC(=O)[C@H]1CCO[C@H]1C	842549573	OISLOYWOPKMWPQ-UWVGGRQHSA-N	320.345	1.342	50	20	DDGD	
CO[C@@H](C=NNC(=O)CCN1CCCCCC1)[C@@H]1CCOC1	841610988	NYSBSRGQJUXQKR-CABCVRRESA-N	311.426	1.406	50	20	DDGD	
CO[C@H](C=NNC(=O)NCCc1cccs1)[C@@H]1CCOC1	841621604	KHANMQJEZAITDX-DGCLKSJQSA-N	311.407	1.627	50	20	DDGD	
Cc1ccc(N2CCC(C(=O)NNC(=O)C3CC3)CC2)nc1	919805940	DCTZPKDAJYMMMO-UHFFFAOYSA-N	302.378	1.164	50	20	DDGD	
CN1C(=O)C[C@H](NC(=O)CCCC[C@H]2CCSS2)C1=O	848047399	MILCGOQSZXFSNO-UWVGGRQHSA-N	316.448	1.574	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(Cl)c2)CCN1C	745856374	CHLXLTNEWIKTIY-GWCFXTLKSA-N	324.812	1.767	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1csc(Cc2cccc(F)c2)n1	910151219	ALTHUEHWFJSGCC-JTQLQIEISA-N	323.393	1.830	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cnn(-c2ccc(F)cc2)c1	843759420	HGCZREAZIXVNSI-UHFFFAOYSA-N	304.325	1.819	50	20	DDGD	
COCCOCC(C)=NNC(=O)[C@@H](C)Oc1ccccc1F	741161773	HOGXULFIQAGOPQ-GFCCVEGCSA-N	312.341	1.748	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)C(=O)C(C)(C)C	746102838	LVZQNZJZQPKCSS-UHFFFAOYSA-N	302.334	1.019	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(O)nc2ccccc12	843638923	FFHRRTVXKXIYQY-UWVGGRQHSA-N	315.329	1.126	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1ccccc1-n1ccnn1	842559060	HVUUZDSGUAYQQU-GXTWGEPZSA-N	313.361	1.533	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1cccc(S(C)(=O)=O)c1	840725428	GCGIPGWQFMDKHG-ZRDIBKRKSA-N	308.359	1.150	50	20	DDGD	
CC(C)SCC(=O)NNC(=O)Cc1cn2ccccc2n1	746555409	ASBANQRLIOZOKR-UHFFFAOYSA-N	306.391	1.166	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1(c2cccc(F)c2)CC1	843650581	DUHQQWMDDLBNPY-GWCFXTLKSA-N	306.337	1.430	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@@H]1C[C@@]12CCCNC2	848399466	QAUUUEPCBWNGKA-BLLLJJGKSA-N	313.361	1.569	50	20	DDGD	
Cn1nc(C2CC2)cc1CNC(=O)NNC(=O)CC(F)(F)F	927609944	UJDUGCZQYFPQRV-UHFFFAOYSA-N	319.287	1.080	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1F)[C@@H](C)O	842231888	BEIWWVLAKRANDJ-APPZFPTMSA-N	302.733	1.647	50	20	DDGD	
COCC[C@H](C)CNC(=O)NNC(=O)Nc1ccc(OC)cc1	840396940	SFUDTUQKBMDEPS-NSHDSACASA-N	324.381	1.704	50	20	DDGD	
Cc1cc2ccc(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)cn2c1	843970219	CFFLOGBRHZVOGC-FZMZJTMJSA-N	301.346	1.434	50	20	DDGD	
CCc1c(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)[nH]c(C)c1C(C)=O	843646448	QJIFLWOQSKNPIT-PWSUYJOCSA-N	321.377	1.274	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)N[C@@H]1CCN(CC(F)F)C1	922926093	ZCVAETCHOOGKBU-SECBINFHSA-N	320.290	1.930	50	20	DDGD	
COc1ccc(C#N)cc1NC(=O)NNC(=O)c1ccncc1	756273608	IZYJFBHZSXOBQE-UHFFFAOYSA-N	311.301	1.428	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2cccc(F)n2)CC(C)(C)C1	852709180	OVONKCRZQMIDPC-JTQLQIEISA-N	308.357	1.943	50	20	DDGD	
C[C@H](C(=O)NNc1cnnn1C)c1ccc(Br)cc1	857273706	UVJCNAFGBBKWNP-QMMMGPOBSA-N	324.182	1.824	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCN3CC[C@H]2C3)cc1	854728055	MBKQOOCUCWIMAR-QZFKAFNDSA-N	311.385	1.909	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1ccc([N+](=O)[O-])cc1F	758360341	CIDHHAMALDNWJL-UHFFFAOYSA-N	310.220	1.812	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1cccc2c1OCO2	757996134	ROASVBRELRANDV-UHFFFAOYSA-N	305.212	1.520	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1ccc(F)c(Cl)c1	755374239	MGMAWORUPRPDBB-UHFFFAOYSA-N	309.688	1.736	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCOC2)OCC(F)(F)F	856023899	ZSNAFMRCWLTOPY-UHFFFAOYSA-N	324.280	1.754	50	20	DDGD	
O=C(NNC(=O)C(C1CC1)C1CC1)c1ccc2c(c1)OCO2	752992963	KZURRVRJUPOEQK-UHFFFAOYSA-N	302.330	1.613	50	20	DDGD	
Cc1nc(Br)sc1C(=O)NNC(=O)CC1CC1	854666139	OGTCBOJDLGTNPQ-UHFFFAOYSA-N	318.196	1.775	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1cc(-c2ccccn2)no1	757418596	DIANHQNXSXDTGC-UHFFFAOYSA-N	315.720	1.964	50	20	DDGD	
C#C[C@H](CC)NC(=O)NNC(=O)COc1ccccc1OCC	854068729	LOEUEYYGABCJSX-GFCCVEGCSA-N	319.361	1.206	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC1COC(C)(C)OC1	758739867	KQSDIFGFRKAPKE-UHFFFAOYSA-N	307.350	1.091	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@]2(C)C[C@@H]2Br)nn1	856899379	NVGSGDLXWNYYPF-GZMMTYOYSA-N	314.187	1.585	50	20	DDGD	
C[C@@]1(CNC(=O)c2cc3n(n2)CCO3)C[C@@H]1Br	857388533	UGLWBKBYQSLMMO-KWQFWETISA-N	300.156	1.179	50	20	DDGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCC(O)(CO)CC1	852499294	GIWBPZYVCJBRTF-LNKIKWGQSA-N	303.318	1.278	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)[nH]1	856730124	HPGFTOFOGJPYDZ-SECBINFHSA-N	320.324	1.394	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1F	853387189	NWSUZIRDOWMBEC-DOMZBBRYSA-N	305.353	1.529	50	20	DDGD	
CC(=O)N[C@H](CCC(C)C)C(=O)NNc1nc2ccccc2[nH]1	857167099	ULCXZUZDIKUCPD-CQSZACIVSA-N	317.393	1.947	50	20	DDGD	
CCCNC(=O)CCC(=O)NNc1ccc([N+](=O)[O-])cc1F	855621529	WCZSDAUGWKYQSW-UHFFFAOYSA-N	312.301	1.483	50	20	DDGD	
C[C@@H](CSc1ccccc1)C(=O)NNC(=O)Cc1cc[nH]n1	755280380	VYIKWELHESXSSX-NSHDSACASA-N	318.402	1.528	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)Cc2cc[nH]n2)c(C)c1	755278658	AQSXWBPORHSMMH-UHFFFAOYSA-N	318.402	1.509	50	20	DDGD	
Cc1cccc(C)c1[C@H]1CCCN1CC(=O)NNC(=O)C1CC1	852311395	DSVYSQPTISZHGS-OAHLLOKOSA-N	315.417	1.998	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)NCCC1CCC1	755083365	BQBHCZSGHMDPNS-UHFFFAOYSA-N	309.341	1.725	50	20	DDGD	
CC1(C)COc2ccc(C(=O)NNC(=O)c3cc[nH]n3)cc21	855356673	VUJJBTIBJCQJIS-UHFFFAOYSA-N	300.318	1.155	50	20	DDGD	
CCc1nc2c(s1)C(=NNC(=O)c1cnn(C)c1)CCC2	756828512	CUJMUJFILGRXRR-UHFFFAOYSA-N	303.391	1.909	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)NCCC1CCC1	755266261	QQLSETMBUGUBQP-UHFFFAOYSA-N	307.350	1.292	50	20	DDGD	
C[C@@H](CBr)CN1CC[C@@H](CN2CCCC2=O)C1	852680220	OOGIBYWAFJSBLS-NWDGAFQWSA-N	303.244	1.962	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccccc1[S@@](=O)C(F)(F)F	930731733	KQZYZSJTYZTPJP-OAQYLSRUSA-N	323.296	1.278	50	20	DDGD	
CC[S@](=O)CCNC(=O)NC[C@]1(C)C[C@H]1Br	856833919	AWAHJIWPUDDMCS-DRGRQASISA-N	311.245	1.228	50	20	DDGD	
CC1CC(CNC(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)C1	856961485	IDJVIEYSFYIPOI-MOENNCHZSA-N	323.368	1.970	50	20	DDGD	
CC(C)C(=O)NNC(=O)CSc1nc2ncccc2s1	865374145	JSSHSNCJQJISRN-UHFFFAOYSA-N	310.404	1.587	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CCOCC(F)(F)F)c1	862475234	DHDURVBUVBDPTL-UHFFFAOYSA-N	310.297	1.787	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C2CSC2)c1C	864492888	RWBKRHVSUZZFAX-NSHDSACASA-N	308.403	1.581	50	20	DDGD	
C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1cccc(B(O)O)c1	867294316	BLTKGYLOGDMMNI-ONGXEEELSA-N	315.100	1.169	50	20	DDGD	
COC(=O)[C@H](CC(F)F)NS(=O)(=O)CC(C)(C)CCl	867028257	YYRCOZMZFOBFRA-ZETCQYMHSA-N	321.773	1.368	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)/C=C\COC)o1	865002676	CEHGVTCPOZZHNI-SREVYHEPSA-N	309.366	1.085	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)Cc2cc(O)nc(S)n2)C[C@H]1C	767359834	JGBNTNHFRVMALE-DTWKUNHWSA-N	308.407	1.942	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ccc(Br)nc1)N(C)C	769083705	GYCNQLGTOWSGGA-NSHDSACASA-N	315.215	1.873	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1cc2c(nc1O)CCCC2	864351073	OPZPTDRMSUHOIR-JLHYYAGUSA-N	301.346	1.726	50	20	DDGD	
O=C(C[C@H]1OC(=O)c2ccccc21)NNc1ncc(F)cn1	760905941	CTBCYZKRIKWAPO-LLVKDONJSA-N	302.265	1.361	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1ccnn1C(F)F	863102226	CVCRHHQWKUKBNA-UHFFFAOYSA-N	308.157	1.710	50	20	DDGD	
C[C@H]1CCN(S(=O)(=O)CC(C)(C)CCl)CC[S@]1=O	867191236	LVWPONJVWHLFQK-DYZYQPBXSA-N	315.888	1.424	50	20	DDGD	
COC(=O)CN(CC#N)C(=O)[C@@H](Br)C(C)(C)C	768171704	RSIIQCDHEWTCHB-SECBINFHSA-N	305.172	1.321	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cnc(C2CCC2)s1	760260531	NITUVDKKVIVPHI-SNVBAGLBSA-N	311.407	1.912	50	20	DDGD	
CN1CCN(Cc2ccc(OCCCCl)cc2)[C@H](CO)C1	877643586	GYQXCFQKKPRYSV-HNNXBMFYSA-N	312.841	1.803	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC[C@H]1CC(C)=NO1)c1ccccc1	875973660	HSQLYWVHZCTCGO-ZIAGYGMSSA-N	318.377	1.675	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H]2CCN(c3ccccn3)C2)cc[nH]1	875419182	AEOAULPJYIHLET-CQSZACIVSA-N	312.377	1.112	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C[C@H](C)N1CCc2ccccc21	1118308208	JFKNYIWIKPBZCL-LBPRGKRZSA-N	320.462	1.731	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)Cc1c[nH]c2ccccc12	771883265	SPQOUMJVUWVOPD-JTQLQIEISA-N	317.345	1.200	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NNc1ccccn1	777472258	CUFOTZOCCMUGBF-JSGCOSHPSA-N	319.409	1.745	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1ccc2c(c1)CCC(=O)N2C	774387337	PMOUUYOWGMQRFV-UHFFFAOYSA-N	311.345	1.391	50	20	DDGD	
COc1cccc(C[C@@H](O)C(=O)NNc2ncncc2Cl)c1	1116716977	GSFBHYBEWUFLHI-GFCCVEGCSA-N	322.752	1.185	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(C(C)=O)cc1F	777372195	MYWJQHJNWRLPTO-UHFFFAOYSA-N	311.313	1.009	50	20	DDGD	
COc1cc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)nn1C	771868966	UNOMVULGCNTYLK-UHFFFAOYSA-N	322.752	1.086	50	20	DDGD	
COCCN(C)NC(=O)c1cc(-c2c(F)cccc2F)no1	1123779767	SSSCFUNVACFUPH-UHFFFAOYSA-N	311.288	1.843	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1CCN(Cc2ccccc2)C1	887149381	UNCJJLKCLQWSFG-MRXNPFEDSA-N	313.401	1.459	50	20	DDGD	
CC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)CC(C)(C)CCl	885386682	XSNHIMBQOPMBQT-VHSXEESVSA-N	312.863	1.474	50	20	DDGD	
COc1cc(CC(=O)NNC(=O)C2CCOCC2)ccc1C	883060773	WWATYBNAXNUVSZ-UHFFFAOYSA-N	306.362	1.120	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)c2cc(Cl)ccc2O)CCO1	776455932	RNWZSXCCWPILRL-RKDXNWHRSA-N	312.753	1.622	50	20	DDGD	
CC(C)S(=O)(=O)c1cccc(C(=O)NN=c2cc[nH]cc2)c1	771451792	XMNFSCCEMIAUKH-UHFFFAOYSA-N	319.386	1.443	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc(C#N)c1	771868736	SOEAVTQEFRJHBZ-LLVKDONJSA-N	317.345	1.297	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(Cl)nc1)[C@@H]1CN(C)CCO1	770439117	VQBSXFDCFPLOPA-ONGXEEELSA-N	313.789	1.080	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)NNc1c(F)cc(F)cc1F	885150734	HZZHIEYQNKEIPV-LBPRGKRZSA-N	315.295	1.948	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@H]1C(=O)Nc2c(F)cccc21	887154229	CSRBBQHWUWEIOY-LLVKDONJSA-N	317.320	1.202	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)NC[C@]1(C)C[C@H]1Br)C(N)=O	889411720	ZMZCENUESZPRTK-NHRVJRKFSA-N	320.231	1.359	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NC[C@H]1C=CCC1	883832553	FGYUTHXIUPMWLZ-NEPJUHHUSA-N	321.352	1.890	50	20	DDGD	
CC(=O)CSCC(=O)NNC(=O)c1ccc2ccccc2c1	787053441	JNQUUKLTVYDDON-UHFFFAOYSA-N	316.382	1.923	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)COC1CCOCC1	780738992	VZIIHWBXLGMUMC-UHFFFAOYSA-N	308.334	1.112	50	20	DDGD	
C[C@@](C#N)(NC(=O)COC(=O)/C(C#N)=C\c1ccccc1)C1CC1	785350485	IGZIITIXIGJBJE-WAFIBAPDSA-N	323.352	1.945	50	20	DDGD	
COc1cccc(NNC(=O)CN2Cc3ccccc3C2=O)n1	780770801	UZFUNUCDOFJLIQ-UHFFFAOYSA-N	312.329	1.189	50	20	DDGD	
C[C@H](NC(=O)CC(C)(C)C)C(=O)NNc1ncncc1Cl	781820326	VIGKLBNTJWDGAS-QMMMGPOBSA-N	313.789	1.514	50	20	DDGD	
Cn1ccc(N2CCC[C@@H](OC(=O)/C(C#N)=C/C3CC3)C2=O)n1	786677988	MKXHIFSEHIVAJF-CNELAYHGSA-N	314.345	1.319	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](C(=O)NNc2ccnc(N(C)C)n2)CCO1	895275985	NBXLGXNYPNTXMF-RYUDHWBXSA-N	307.398	1.437	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H]1CCCC(C)(C)C1	785908429	HMMYWHXVYDEMEN-NWDGAFQWSA-N	315.414	1.337	50	20	DDGD	
CCn1nc(C2CC2)cc1C(=O)NNc1cc(C)nc(C)n1	895155835	OPNSLHGDDDLDQE-UHFFFAOYSA-N	300.366	1.944	50	20	DDGD	
O=S(=O)(CBr)N[C@@H](CCO)Cc1ccccc1	799830002	LMTTUKPRJPDBSS-NSHDSACASA-N	322.224	1.252	50	20	DDGD	
CC(=O)N1CCC[C@H](CNC(=O)NNc2ccc(F)cc2)C1	793307429	CATDHTVFUFCNCN-GFCCVEGCSA-N	308.357	1.710	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cnn(C(C)C)c2C)n1	794083450	IRNISRIFZBPPTI-UHFFFAOYSA-N	301.350	1.551	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1	798306610	NTJCAQXTTRTMGL-UHFFFAOYSA-N	319.346	1.371	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2n[nH]cc2C)c(C)c1	799406994	JMAPGIMBZPNACL-UHFFFAOYSA-N	303.391	1.966	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccoc1)c1cc2c(s1)CCC2	795279414	BXPOAVJGYMHSTI-UHFFFAOYSA-N	312.372	1.453	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCn2cc(Cl)cn2)n1	794076067	MLBADDCNOVRDGP-UHFFFAOYSA-N	307.741	1.091	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2cc(C(F)(F)F)n[nH]2)cs1	799471445	DWMXWXFLJZJJQI-UHFFFAOYSA-N	317.296	1.886	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc2nccnc2cc1F	792659384	OSQTWEQDWOWIMW-UHFFFAOYSA-N	314.280	1.324	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@@H]2CCOc3ccccc32)c1Cl	1319303375	PVKUMLMQJNYZRA-SECBINFHSA-N	319.752	1.722	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cnn1C1CCCC1	1326674708	GCNCODKICAURGB-YPMHNXCESA-N	320.393	1.493	50	20	DDGD	
CC(C)(CCC#N)CNC(=O)NNc1nncc(N)c1Cl	1329263971	IIQNYTNNWIYLRN-UHFFFAOYSA-N	311.777	1.668	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCN(C)c3ccccc32)CC1	1321819852	VTXJSALYWZXMTE-UHFFFAOYSA-N	301.394	1.188	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CCCc1ccccc1)[C@H]1CCC(=O)N1	1329224849	KAIIZAZMYILVOY-GXTWGEPZSA-N	317.389	1.071	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)c2ccc(OC)cc2)c(C)n1	1328690051	UDORPDYMZOMILV-UHFFFAOYSA-N	302.334	1.295	50	20	DDGD	
Nc1cnnc(NNC(=O)N[C@H]2CCC(F)(F)C2)c1Cl	1253104663	VDHQIOMURFEHMR-YFKPBYRVSA-N	306.704	1.526	50	20	DDGD	
COCCn1cc(NC(=O)NCC(Cl)Cl)ccc1=O	1336775583	MNEAPHMCMWPWQW-UHFFFAOYSA-N	308.165	1.420	50	20	DDGD	
Cc1cccc(NCCNS(=O)(=O)CC(C)(C)CCl)n1	1333441292	LRTJHUYQEAJTMA-UHFFFAOYSA-N	319.858	1.986	50	20	DDGD	
C[C@]1(Cn2nnnc2N2CC[C@@H]3C[C@@H]3C2)C[C@H]1Br	1334616664	POSIRVVCEKMHEM-DNRKLUKYSA-N	312.215	1.693	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)c1cnn2ccncc12	1330415027	RJOJYGGIQBCKHV-UHFFFAOYSA-N	301.281	1.634	50	20	DDGD	
CC(C)n1cc(NC(=O)C(=O)NNc2ccnc(F)c2)cn1	1336387336	ZHAMQHBLUXYLIV-UHFFFAOYSA-N	306.301	1.080	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@H]2CCCCN2C)cc1	1341473250	VCAIZXOKLPOROQ-OAHLLOKOSA-N	318.421	1.677	50	20	DDGD	
C[C@@H](CCNC(=O)NNC(=O)C1CCNCC1)c1ccccc1	1345139977	DDYFRXCPAWRBMY-ZDUSSCGKSA-N	318.421	1.510	50	20	DDGD	
Cc1nccnc1NC(=O)NNC(=O)C(C)(C)c1ccccc1	1345499513	KHLFVISSXJZTRM-UHFFFAOYSA-N	313.361	1.916	50	20	DDGD	
CCC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)C1CCNCC1	1345142884	SDSOBNZYVFHTLM-JSGCOSHPSA-N	310.442	1.675	50	20	DDGD	
CC(=O)NC[C@@H]1CN(C(=O)c2cccc(CCl)c2)CCO1	1346836552	QZXSRVNUTMPIIG-CQSZACIVSA-N	310.781	1.403	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@@H](O)CNC(=O)OC(C)(C)C	1353688256	KEAHLDMZYUZWAU-ZETCQYMHSA-N	315.197	1.134	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC(Cc2nncn2C)CC1	1520721689	WTJRMHXLDZBTTA-RAXLEYEMSA-N	303.366	1.040	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1cccn1CC(=O)O	1607340376	TVBGCDCTYLYJOD-UHFFFAOYSA-N	315.329	1.274	50	20	DDGD	
Cc1ccc([C@H](C)C(=O)NNc2ccc(-c3nn[nH]n3)cn2)o1	1605829887	OBADRBUGPQXEOO-VIFPVBQESA-N	313.321	1.410	50	20	DDGD	
Cc1cnc(COCC(=O)NNc2ccc(C(=O)O)cc2F)o1	1607908170	FRJOHLUNQLUKKY-UHFFFAOYSA-N	323.280	1.480	50	20	DDGD	
Cc1c(NNC(=O)Cc2ccc(C#N)nc2)cccc1C(=O)O	1600050577	GLOQMPANRRWKJJ-UHFFFAOYSA-N	310.313	1.646	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@]23CCC[C@H]2OCC3)c(F)c1	1602383339	FWAYRQWMKMFAJW-DOMZBBRYSA-N	308.309	1.926	50	20	DDGD	
CC1CCN(CCC(=O)NN=C2CCC(C(=O)O)CC2)CC1	1609859919	IXBXOAXTGMOSSC-UHFFFAOYSA-N	309.410	1.855	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@H]1CC[C@@H](C(=O)O)C1	1601561195	UPQGNRUXLDEFLB-JGVFFNPUSA-N	311.269	1.678	50	20	DDGD	
N#C[C@H]1CC[C@@H](NC(=O)NNc2ccc(CC(=O)O)cc2)C1	1601079515	LHFWEKFMCWNRSN-WCQYABFASA-N	302.334	1.632	50	20	DDGD	
CCc1cc(NC(=O)NNc2cccc(C(=O)O)c2F)nn1C	1605801136	SLHUZTKVKXJBDY-UHFFFAOYSA-N	321.312	1.968	50	20	DDGD	
O=C(CCC1CCCCC1)NNC(=O)c1c[nH]c(C(=O)O)c1	1608300661	SOCKQENJNJVSBN-UHFFFAOYSA-N	307.350	1.834	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1	1601045351	AYHJOTSZFJKROM-XZKMQQEGSA-N	300.314	1.669	50	20	DDGD	
O=C(CCn1cccn1)NNc1ccc(C(=O)O)c(Cl)c1	1601299523	JPXZISNNJBPPTM-UHFFFAOYSA-N	308.725	1.768	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CC(F)(F)C[C@H]1C(=O)O	1608170003	QDQJNXRBTOZEGE-DJTWPOEFSA-N	322.267	1.620	50	20	DDGD	
C[C@H](CBr)CN[C@@](C)(Cn1cccn1)C(=O)O	1604059388	FATOLSHBNJMAPK-KOLCDFICSA-N	304.188	1.347	50	20	DDGD	
Cc1ccc(NNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)cc1Cl	1609426947	AJSMVJUZGFJSNX-UHFFFAOYSA-N	317.740	1.914	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H](C(=O)O)C1CCCC1	1605350738	CQNAGYZNGXEUDB-ZDUSSCGKSA-N	304.346	1.647	50	20	DDGD	
CCc1c(C(=O)NNc2ccccc2C(=O)O)cnn1CC	1605780707	QORJIDUWRACSLT-UHFFFAOYSA-N	302.334	1.921	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)C(=O)O	1610051737	ASJCEBFYSPCCFU-HWLFMMOHSA-N	302.330	1.915	50	20	DDGD	
CN(C)c1cc(C(=O)NN=C2C[C@H]3C[C@H](C(=O)O)[C@H]2C3)ccn1	1610105333	XDWMZEDUTVOAQG-JLLWLGSASA-N	316.361	1.364	50	20	DDGD	
COCC(C)(C)C=NNC(=O)[C@H]1CCCO[C@@H]1c1ccnn1C	1549322001	WYOQSPKTRSZMPW-JSGCOSHPSA-N	322.409	1.662	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H]2C[C@@H](N)C23CCC3)cc(C#N)n1C	1579529804	MUCLTABJICIIJI-SKRDGDKOSA-N	323.400	1.498	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCNCC1)c1cc2c(s1)CCC2	1580733569	YEHROHRXVPUKKT-SNVBAGLBSA-N	307.419	1.388	50	20	DDGD	
O=C([C@@H](F)Cl)N1CCCC12CN(C(=O)C1(F)CCC1)C2	1843367182	LUKACVISAAIWRU-SECBINFHSA-N	306.740	1.616	50	20	DDGD	
CC[C@@H]1C[C@@H](CC(=O)NNc2ncccc2C(=O)O)CCO1	1589620226	VNLHJERWGNGLKA-WDEREUQCSA-N	307.350	1.818	50	20	DDGD	
C=CC[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1845978974	GYAYFVYDGMKRSI-MNOVXSKESA-N	302.777	1.936	50	20	DDGD	
N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(CCl)cc1	1580372029	NPVNAYVYBRZAJV-CHWSQXEVSA-N	302.827	1.974	50	20	DDGD	
CO[C@@H]1CCC[C@@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)C1	1591354204	ODQJJBLPNDIGMW-DGCLKSJQSA-N	316.365	1.515	50	20	DDGD	
CN(C)[C@H]1C[C@@H](CNC(=O)NNc2ccc(CC(=O)O)cc2)C1	1598284015	VNOUMEYCJZKMDX-XBXGTLAGSA-N	320.393	1.280	50	20	DDGD	
CC[C@@H](C)N(C)CCNC(=O)NNc1cccc(C(=O)O)c1	1594967245	MURRWMBTFSXPKX-LLVKDONJSA-N	308.382	1.741	50	20	DDGD	
COC[C@@H](CCNC(=O)NNc1cccc(C(=O)O)c1)OC	1599162617	CTGIXPCIDPTZLC-GFCCVEGCSA-N	311.338	1.062	50	20	DDGD	
CCCN1C[C@H](C(=O)NNc2cccc(C(=O)O)c2F)CC1=O	1595896850	RGVBQHNDWPPYPU-SECBINFHSA-N	323.324	1.226	50	20	DDGD	
Cc1ccc(NNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)cc1Cl	1592185495	ZVOKXDJQUYPSAR-UHFFFAOYSA-N	317.740	1.914	50	20	DDGD	
C[C@H](O)c1ncc(C=NNC(=O)c2ccc(C(=O)O)cc2)s1	1776100605	QRQLFFCFBMFMCZ-QMMMGPOBSA-N	319.342	1.659	50	20	DDGD	
O=C(COc1ccc(F)cc1)NN=Cc1ccc(C(=O)O)nc1	1776025621	MXWLPXNSLLOZSK-UHFFFAOYSA-N	317.276	1.448	50	20	DDGD	
O=C(NN=Cc1ccn([C@H]2C[C@H](C(=O)O)C2)n1)c1cccnc1	1776017458	AARXWARNCLBUGI-AULYBMBSSA-N	313.317	1.078	50	20	DDGD	
Cn1nc(C(=O)O)cc1/C=C(/C#N)C(=O)NCc1ccccc1	1776117745	HLDSUPFYZXCWNP-GHXNOFRVSA-N	310.313	1.342	50	20	DDGD	
C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Cl)C[C@@H]21	1791273696	BHGQSEYFHGSBRY-MRBYEJRBSA-N	318.776	1.077	50	20	DDGD	
CCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cl)CC)C2	1795606673	ZZEROCUAGQOVIC-RNJOBUHISA-N	316.829	1.679	50	20	DDGD	
Cc1cc(F)c(C(=O)NNC(=O)Cc2ccncc2)cc1F	150733165	VITAOGQWTLLAGZ-UHFFFAOYSA-N	305.284	1.672	50	20	DDGD	
O=C(CCCc1nc(C2CC2)no1)NNC(=O)c1cccnc1	158432160	TYKRAAQWMXRSOH-UHFFFAOYSA-N	315.333	1.126	50	20	DDGD	
O=C(NNC(=O)C1(O)CCSCC1)c1c[nH]c2ccccc12	155055052	RTMNTVLYBXVRQV-UHFFFAOYSA-N	319.386	1.187	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(C)n(C3CC3)c2C)[nH]n1	153883528	LHJSNWCMAWFHEB-UHFFFAOYSA-N	301.350	1.546	50	20	DDGD	
O=C(NCc1ccc(OCC2CC2)nc1)NNc1ncccn1	157163786	UUHXMIBFLFAZTD-UHFFFAOYSA-N	314.349	1.487	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)Cc2csc(C)n2)n1	155860306	HGJHPFMPVDNAIK-UHFFFAOYSA-N	320.422	1.774	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)COc2ccc(C(N)=O)cc2)c1	159053897	JOYIQWMYXCYGRZ-UHFFFAOYSA-N	313.357	1.924	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)NCc1ccccc1	272154022	MNICLBIMTZJNQF-UHFFFAOYSA-N	322.365	1.042	50	20	DDGD	
CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)c1ccc[nH]1	175777538	CZCGYULSKVWLOJ-AWEZNQCLSA-N	301.346	1.942	50	20	DDGD	
CO[C@@]1(C)C[C@@H](NC(=O)NNc2cncc(Cl)n2)C1(C)C	173717396	WEQKDXFLLBCOBE-OQPBUACISA-N	313.789	1.960	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cnn(C)c1)c1ccc(F)cc1F	118052258	DDKOMFZGVBUOOZ-QMMMGPOBSA-N	323.303	1.404	50	20	DDGD	
COC(=O)CN(C)S(=O)(=O)c1ccc(CCCCl)cc1	179281824	YFFNVTIPRIRHIJ-UHFFFAOYSA-N	319.810	1.652	50	20	DDGD	
Cc1noc(C(C)C)c1C(=O)NNC(=O)c1ccccc1O	22698938	JNFAZEQHKIUMNP-UHFFFAOYSA-N	303.318	1.887	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)C2[C@H]3CCC[C@H]23)o1	178154663	MMDXLSAVYWNOKO-STQMWFEESA-N	319.405	1.929	50	20	DDGD	
O=C1CCSc2ccc(C(=O)NNC(=O)NC3CC3)cc2N1	68266807	ASRYHSIEGACKRC-UHFFFAOYSA-N	320.374	1.227	50	20	DDGD	
Cc1cccc2[nH]cc(CC(=O)NNC(=O)c3ccncc3)c12	171520146	XXGJGTULDCSIKJ-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1ccc(Cl)cn1	175863778	PNGZRHUAPOUAOQ-UHFFFAOYSA-N	305.725	1.525	50	20	DDGD	
COCCCNC(=O)NNC(=S)Nc1ccc(F)cc1F	64937362	PGJPWUNFGMVYEH-UHFFFAOYSA-N	318.349	1.502	50	20	DDGD	
COc1ccnc(NNC(=O)C(=O)c2ccc(Cl)cc2)n1	171373527	UHYKHSCYWHXXNP-UHFFFAOYSA-N	306.709	1.465	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)o1	176213501	WXSJGDLIKDJCJZ-UHFFFAOYSA-N	322.252	1.292	50	20	DDGD	
Cc1cc(F)c(S(=O)(=O)NNC(=O)NCC2CC2)cc1F	121559077	MFODMMFEAIDGOF-UHFFFAOYSA-N	319.333	1.176	50	20	DDGD	
C[C@@H](C[S@](C)=O)NC(=O)NNC(=O)c1cccc(Cl)c1	183607819	XEBLRWOWBBJUPI-FHZGZLOMSA-N	317.798	1.051	50	20	DDGD	
CS[C@H](CO)[C@@H](C)NC(=O)c1c(C)nn(CCCl)c1C	126509472	HZXMRKSVXDGQJC-LDYMZIIASA-N	319.858	1.581	50	20	DDGD	
Cc1cc(NNC(=O)CC2CCC3(CC2)OCCO3)nc(C)n1	188389742	WACCRQMMDUKUBU-UHFFFAOYSA-N	320.393	1.860	50	20	DDGD	
O=C(NCc1ccccn1)NNC(=O)c1ccc2ccccc2n1	73117430	DBTJLARVCLLOLZ-UHFFFAOYSA-N	321.340	1.774	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(S(C)(=O)=O)cc2)nc(C)n1	129098132	DJDDZNZRJABDRQ-UHFFFAOYSA-N	320.374	1.254	50	20	DDGD	
CCOc1ccccc1CCNC(=O)NNc1cccnn1	77661501	UDSJEQFJOVDFQJ-UHFFFAOYSA-N	301.350	1.744	50	20	DDGD	
COC[C@@H](C)NC(=O)NNC(=O)Cc1cccc2ccccc12	125597818	OIGSKRCFRGJSEX-GFCCVEGCSA-N	315.373	1.748	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)c2ccc[nH]2)c1C	123145178	COPNSLJAVNQAIG-UHFFFAOYSA-N	300.318	1.031	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2)on1)c1ccc[n+]([O-])c1	73089630	LLVAJSMYDJDJCP-UHFFFAOYSA-N	324.296	1.050	50	20	DDGD	
CCCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1ccccc1	71999904	PEZOMMNPJBDVPC-CQSZACIVSA-N	317.389	1.629	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1c[nH]nc1C)c1ccc(F)cc1	124968892	RVOLNQAHBLLLMR-GFCCVEGCSA-N	304.325	1.812	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)Cn1cnc(C#N)n1	181297723	XLGWNWUWYAFSGB-UHFFFAOYSA-N	307.317	1.150	50	20	DDGD	
Cc1nc(CC(C)C)c(C(=O)NNC(=O)Cc2cc[nH]n2)s1	186085917	OXDFSOQOOWPMSS-UHFFFAOYSA-N	321.406	1.377	50	20	DDGD	
COc1cccc(NNC(=O)C2CCN(C(=O)C(C)C)CC2)n1	180699638	HPWBWJUGDBHOBV-UHFFFAOYSA-N	320.393	1.428	50	20	DDGD	
CCC(CC)NC(=O)NNC(=O)[C@H]1COc2ccccc2O1	42955859	FFILTCDSQYOZIK-CYBMUJFWSA-N	307.350	1.345	50	20	DDGD	
Cc1ccc2oc(C(=O)NNC(=O)C(=O)N3CCCC3)cc2c1	132190573	MMXPNLRQEKQACC-UHFFFAOYSA-N	315.329	1.125	50	20	DDGD	
C[C@@H](CCNC(=O)NNC(=O)C(=O)NC1CC1)CC(C)(C)C	190991302	HBAMRTDVEWVZLZ-JTQLQIEISA-N	312.414	1.058	50	20	DDGD	
O=C(CCOC[C@@H]1CCCO1)NNc1ncnc2ccsc12	132607158	DONIRAABGVIXDD-JTQLQIEISA-N	322.390	1.720	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNc2cnc3ccccc3n2)C1	193518066	PJYWFASYBVXTEK-NSHDSACASA-N	313.361	1.331	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1Cl)C(=O)NNC(=O)C(C)(C)O	190056538	QMHFFMXKURBVOS-ZETCQYMHSA-N	318.732	1.165	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)C1(O)CCCC1	191614232	FSPZKCSSRAAHIU-UHFFFAOYSA-N	311.769	1.476	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccncc1C(F)(F)F	193079240	VHSNJZUJDWDTEO-UHFFFAOYSA-N	324.262	1.499	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(Br)cc1F	198525426	KOCOHOHGKWJQST-UHFFFAOYSA-N	305.103	1.979	50	20	DDGD	
CCC1(CC)[C@H](OC)C[C@H]1N(C)CC(=O)NNC(=O)C1CC1	140732720	HYRUPDDFJFRIDZ-CHWSQXEVSA-N	311.426	1.069	50	20	DDGD	
C[C@@H]1CCC[C@H](CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)C1	249751089	AZCLSEOCSHUMRW-DYEKYZERSA-N	317.455	1.194	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=O)CNc1ccccc1	246553450	YLJXRKNVZMZRIN-MGPQQGTHSA-N	318.421	1.507	50	20	DDGD	
COCCCNC(=O)NNC(=O)/C=C\c1ccc(Cl)s1	255516352	GPIDLBXYIBBGQF-XQRVVYSFSA-N	317.798	1.782	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NNC(=O)c1ccccn1	266779043	MJNFEUVAELZAQA-UHFFFAOYSA-N	321.768	1.209	50	20	DDGD	
CSCCCCC(=O)NNC(=O)COc1ccccc1F	265729136	QWJPNHIFOLKTJK-UHFFFAOYSA-N	314.382	1.885	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2CCCc3cn[nH]c32)n1	269052022	VTKVJCWAVPEBCK-LLVKDONJSA-N	301.354	1.520	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1ccc(C(=O)OC)[nH]1	267097782	JYFLWWIGKPNUGL-PKNBQFBNSA-N	305.334	1.251	50	20	DDGD	
O=S(=O)(N[C@H]1[C@@H]2CNC[C@@H]21)c1ccc(CCCCl)cc1	366298309	BMFFLYYOVVOJSN-WDNDVIMCSA-N	314.838	1.354	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)[C@@H](F)C(F)(F)F	365693961	XUYXKKSYGIJYBF-ZCFIWIBFSA-N	321.259	1.944	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cccc(-c2ncn(C)n2)c1	274615707	QDRLSLWMRLRKPB-UHFFFAOYSA-N	316.365	1.681	50	20	DDGD	
Cc1nnnn1-c1cccc(NC(=O)NNC(=O)CC(C)C)c1	273347347	SDJSQDYDKQVORP-UHFFFAOYSA-N	317.353	1.170	50	20	DDGD	
C[C@@H]1C[C@H](CNC(=O)NNC(=O)Cc2ccc(F)cc2)CCO1	271596235	KPSBHMXDUKXWFR-DGCLKSJQSA-N	323.368	1.514	50	20	DDGD	
CCNC(=O)c1ccc(NC(=O)NNC(=O)CC2CC2)cc1	273472571	IRBTWCCSMVXDAJ-UHFFFAOYSA-N	304.350	1.389	50	20	DDGD	
COc1ccc(NNC(=O)NCC2([C@H](C)CCO)CCC2)nc1	275925845	HEAUNNXMFPIXQI-GFCCVEGCSA-N	322.409	1.905	50	20	DDGD	
O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NNC(=O)C1CCC1	270434917	PMJHHWNBUSVUCA-UHFFFAOYSA-N	316.317	1.566	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(Cl)cc1	276501362	CHTLZKANHZKAME-UHFFFAOYSA-N	314.769	1.890	50	20	DDGD	
CC(C)[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2)CCO1	271553942	RDGRGHALMJMJMN-UONOGXRCSA-N	305.378	1.834	50	20	DDGD	
CNC(=O)NNC(=O)CC(C)(C)CC(=O)c1ccc(C)cc1	273514602	FAGLNMPBYUHMMJ-UHFFFAOYSA-N	305.378	1.944	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	278531232	DUCDJMQLMGIWRT-ZUZCIYMTSA-N	310.325	1.068	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)N[C@H]1CCO[C@@]2(CCOC2)C1	371432664	KOCVRGTZQZFKMO-NHYWBVRUSA-N	313.398	1.091	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNC(=O)COc1cc(C)ccc1C	281172785	MYWWJXYKAVTMLS-MRXNPFEDSA-N	306.362	1.157	50	20	DDGD	
Cn1nc([C@@H]2CCCOC2)cc1NC(=O)NNc1ccncc1	280277242	VLXVRXPVJXDUNN-LLVKDONJSA-N	316.365	1.858	50	20	DDGD	
CCOCC(C)(C)CNC(=O)NNC(=O)c1ccccc1F	288480123	XQDUWKZHIFUVJU-UHFFFAOYSA-N	311.357	1.832	50	20	DDGD	
Cn1ncc2c1C[C@H](C(=O)NNc1nnc(C3CC3)s1)CC2	282532512	YXKDJVGFRRSRLM-SECBINFHSA-N	318.406	1.397	50	20	DDGD	
CO[C@@H](C(=O)NNC(=S)Nc1ccc(N(C)C)cc1)C1CC1	280676184	BZPASTAPKVYUSY-CYBMUJFWSA-N	322.434	1.495	50	20	DDGD	
CCN(CC)CCSCC(=O)NNC(=O)Nc1ccccc1	283795794	UTPVXLQBANNGHO-UHFFFAOYSA-N	324.450	1.914	50	20	DDGD	
O=C(Cc1c(F)cccc1Cl)NNC(=O)N=c1cc[nH]cc1	802025363	CKYOALDJJDVNKH-UHFFFAOYSA-N	322.727	1.691	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CC[C@@](CO)(c2ccccc2)C1	292184105	MRHSWUXAJRUNEV-GWKQRERASA-N	300.358	1.593	50	20	DDGD	
C[C@H](Cc1cncc2ccccc12)C(=O)NNC(=O)N(C)C	805171033	LJVQULNLUHSNAB-LLVKDONJSA-N	300.362	1.716	50	20	DDGD	
CC(C)OCCCC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802100048	SDZMJGXFUFOTOU-UHFFFAOYSA-N	323.349	1.773	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1c(Cl)nc2ccccn12	295623895	RVNBSAXYBGIRSF-SECBINFHSA-N	322.752	1.318	50	20	DDGD	
C#C[C@H](NC(=O)NNc1ccccc1S(C)(=O)=O)C(C)(C)C	808312913	IRJFNAPJXGZYHZ-ZDUSSCGKSA-N	323.418	1.764	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1ccc(C(F)F)cc1	808082261	WRPSEPTVLCALCI-UHFFFAOYSA-N	321.349	1.917	50	20	DDGD	
O=C(COc1ccc2ccc(=O)oc2c1)NNC(=O)CC1CC1	294037277	DQQFZJOOPUWNKE-UHFFFAOYSA-N	316.313	1.119	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	292882266	UMXLTDMKKRFVML-ZANVPECISA-N	305.334	1.609	50	20	DDGD	
CO[C@H](C)c1nsc(NC(=O)NNc2nc(C)cc(C)n2)n1	809923665	BDSPSPUTNQCGBY-MRVPVSSYSA-N	323.382	1.801	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	297173152	AHGGJOKEZWYLOF-GFCCVEGCSA-N	304.306	1.197	50	20	DDGD	
CCN(C[C@@H](O)C(F)(F)F)C(=O)NCCSSC	807230049	AMSYAXVEXVPDBC-SSDOTTSWSA-N	306.375	1.952	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)[C@H](C)Oc1ccccc1F)C(C)C	298065337	UPFILXHJMINHEM-AAEUAGOBSA-N	321.352	1.581	50	20	DDGD	
COc1ccc(CC(=O)NNc2cccc(F)n2)cc1[N+](=O)[O-]	804770999	CDOPLQDUMCWAEM-UHFFFAOYSA-N	320.280	1.823	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)NC1CCN(C2CC2)CC1	297585954	PIKDZOZKJLVWEW-UHFFFAOYSA-N	311.336	1.613	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)C2(O)CCCCC2)cc1	802123279	NCMIELRWRGCQEZ-UHFFFAOYSA-N	320.393	1.601	50	20	DDGD	
CC(C)(C)OC(=O)NC1(C(=O)NNc2ncncc2F)CC1	294156277	VJKYCSKTDJHMCO-UHFFFAOYSA-N	311.317	1.116	50	20	DDGD	
COc1ccc(C#N)cc1NC(=O)NNC(=O)[C@@H]1CCCCO1	296558529	UIFGPMFPQSUPQD-ZDUSSCGKSA-N	318.333	1.289	50	20	DDGD	
Cn1cncc1CCC(=O)NNC(=O)c1cc(Cl)ccc1O	802750172	ZALCSLWXWPTVHH-UHFFFAOYSA-N	322.752	1.173	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)Cc2cccnc2)cs1	815410608	KBQBEHUPHIHOTC-UHFFFAOYSA-N	303.343	1.349	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1c(Cl)nc(Cl)n1C	814757976	WSVPIUGKGYMHCY-UHFFFAOYSA-N	320.224	1.909	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2nnc3ccccc3n2)c1	810974732	FUMKVHHFLPTLBT-UHFFFAOYSA-N	323.312	1.568	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)CCCC#N)c1C	812447062	FVCGZTYJWQXJEY-CYBMUJFWSA-N	303.362	1.912	50	20	DDGD	
CC(C)N(C)C[C@H](C)NC(=O)NNC(=O)c1ccccc1O	812513037	KRNIQACHCBENIA-NSHDSACASA-N	308.382	1.065	50	20	DDGD	
CCOc1ccc2c(c1)C(=NNC(=O)c1cnn(C)c1)CCO2	814852336	TUUWIUIVJDLNFC-UHFFFAOYSA-N	314.345	1.735	50	20	DDGD	
O=C(NNc1ncncc1F)N[C@@H]1CCc2ccccc2OC1	814331076	XWQZBYPUMPIETG-LLVKDONJSA-N	317.324	1.636	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCSc1cccc(Cl)c1	813530362	QFJPAHFEDZNELD-UHFFFAOYSA-N	316.810	1.741	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)Nc2ccc(OC)cc2)c[nH]1	814997922	LKPCJIARVTZQKM-UHFFFAOYSA-N	316.317	1.966	50	20	DDGD	
C[C@@H](NNC(=O)c1cnc(O)c(C(F)(F)F)c1)C(F)(F)F	826943550	XTXHYRCWLLSBGM-SCSAIBSYSA-N	317.189	1.991	50	20	DDGD	
CCOCC(=O)NN=C1CCC[C@@H](NC(=O)OC(C)(C)C)C1	497243552	LVTIFQGMAIGIPE-LLVKDONJSA-N	313.398	1.962	50	20	DDGD	
COCC[C@@](C)(O)CNC(=O)/C(C#N)=C\c1ccc(F)cc1	491084254	NMWYSSGEMLVUBF-RCBBPTIPSA-N	306.337	1.636	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccccc1OC(F)F	497041833	XLHPRWJNLIESAC-UHFFFAOYSA-N	317.248	1.004	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CC[C@@H](c2nc[nH]n2)C1	491082326	IOTWSTFZVBPWIA-BFTHVDOESA-N	311.320	1.867	50	20	DDGD	
CCCN(NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)OC(C)(C)C	495763738	ZPQSJHPRFGQPKV-LBPRGKRZSA-N	315.414	1.825	50	20	DDGD	
CC[C@@H](C)CCNC(=O)NNc1ccc(-n2cccn2)nn1	820872428	CLTSEFARIRBYKK-LLVKDONJSA-N	303.370	1.725	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H](C)n1ccc2ccccc2c1=O	822800436	YGCJMZJKHAEQCK-NSHDSACASA-N	316.361	1.303	50	20	DDGD	
COCCOCC(=O)NNC(=O)Cc1ccc(C)c(Cl)c1	827869696	IPCPIFBMXJBESG-UHFFFAOYSA-N	314.769	1.001	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNC(=O)CSc1ccccc1O	491763630	ALPGSZGHKODCAY-NSHDSACASA-N	321.402	1.617	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H](NC(C)=O)C(C)(C)C	823222078	BUCXQVDEQGOVMB-CYBMUJFWSA-N	321.377	1.007	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)c2ccc(C#N)cc2)c2c1CCCC2	825510539	BRQUJADLCLTQRY-UHFFFAOYSA-N	323.356	1.245	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCCCCNc2ccccn2)cn1	491049931	ODTVAJWARCZHDF-XNTDXEJSSA-N	324.388	1.731	50	20	DDGD	
Cc1cccc(CC(=O)NNC(=O)COc2ccccc2F)c1	726765540	OYECKPFIVRPIRJ-UHFFFAOYSA-N	316.332	1.903	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C/C=C/Cc1ccccc1	824016877	UOZGNLVQOSSOCL-XPKDBEDXSA-N	302.374	1.748	50	20	DDGD	
CN(C)CC(=O)NN=Cc1ccc(F)c(Br)c1	727650020	UHFIPTFYIFQKQO-UHFFFAOYSA-N	302.147	1.600	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CC(C)(C)C)N(C)C(=O)OC(C)(C)C	497224227	BSIKUFIUIJUFKJ-JTQLQIEISA-N	315.414	1.825	50	20	DDGD	
O=C(CS(=O)(=O)C1CC1)NNc1cccc2c1CCCC2	827515646	CSYQOXVALGBLRG-UHFFFAOYSA-N	308.403	1.586	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cccc(N2CCCC2)c1	826123433	NODLSUMCIDJKEQ-UHFFFAOYSA-N	324.384	1.686	50	20	DDGD	
C[C@]1(C(=O)Nc2cc(CO)cc(CO)c2)C[C@H]1Br	828814440	RCPXSZRWWDZQGK-YPMHNXCESA-N	314.179	1.783	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccc(NC(=O)[C@@H](C)OC)c1	494571648	HCAGXGJSBVAVGK-SECBINFHSA-N	324.337	1.443	50	20	DDGD	
C#CCO[C@H](C)C(=O)NNC(=S)Nc1cccc(C)c1C	824130263	GOEHXWZCPUMXJH-GFCCVEGCSA-N	305.403	1.659	50	20	DDGD	
C[C@@H](CNC(=O)/C(C#N)=C\c1cnn(C)c1)CN1CCCC1	491049073	MFXVMHCCDRRSKN-XKBFBRDOSA-N	301.394	1.175	50	20	DDGD	
CC(=O)N1CCCN(C(=O)[C@]2(C)C[C@@H]2Br)CC1	905532317	XOAOIFOSZSTHES-CMPLNLGQSA-N	303.200	1.241	50	20	DDGD	
Cn1cccc1C(=O)NN=C1CCC(O)(C(F)(F)F)CC1	734746159	HQFNGAADPRIDEC-UHFFFAOYSA-N	303.284	1.978	50	20	DDGD	
COc1ccccc1OCCN(C)C(=O)NNC(=O)C(C)(C)C	731499207	MTJPZNLPBQIIIE-UHFFFAOYSA-N	323.393	1.793	50	20	DDGD	
COc1cc(OC)c(C=NNC(=O)c2cnn(C)c2)c(OC)c1	735412211	QWUBYLCMUXKYLL-UHFFFAOYSA-N	318.333	1.210	50	20	DDGD	
Cc1ccc2c(c1)[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)CC2	735511693	BWETYDGLQXHIFQ-AWEZNQCLSA-N	313.361	1.360	50	20	DDGD	
CCN(CC)C(=O)[C@H](C)OC(=O)/C(C#N)=C/c1cnn(C)c1	837968172	CIVKAXZKVMEHTR-DELQEKLWSA-N	304.350	1.127	50	20	DDGD	
CCN(CC)CCC[C@@H](C)NC(=O)/C(C#N)=C\c1cnn(C)c1	491175187	KHARMQZPVXPSRP-KWZJRMENSA-N	317.437	1.954	50	20	DDGD	
O=C1CC[C@@H]2[C@@H]1[C@@H]2C(=O)NNC(=S)Nc1cccc(Cl)c1	905111873	VRDDHQBLKMYMRB-ADEWGFFLSA-N	323.805	1.883	50	20	DDGD	
CCNC(=O)N1CC[C@H](NC(=O)[C@@]2(C)C[C@@H]2Br)C1	907000505	MUBDXXBNKQWBLE-AUTRQRHGSA-N	318.215	1.080	50	20	DDGD	
OB(O)c1cccc(CN[C@H]2CC[C@@H](c3ccc(F)cc3)C2)c1	585039188	PJJMPGIJCPOWGB-QAPCUYQASA-N	313.181	1.931	50	20	DDGD	
Cc1cnn(CCC(=O)NNC(=O)C(C)(C)c2ccccc2)c1	731173438	RFLJVLQHBBWFGI-UHFFFAOYSA-N	314.389	1.707	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cccc(NC(=O)O)c1	739043207	NNYWNLXPYDNRIW-UHFFFAOYSA-N	302.290	1.190	50	20	DDGD	
C[C@@H]1CCC[C@@H]2CCCN(C(=O)c3ccc(B(O)O)c(F)c3)[C@H]12	584934284	PXAHRWDFGLVEGU-XHBSWPGZSA-N	319.185	1.546	50	20	DDGD	
C[C@H]1CC[C@@H](CNC(=O)NNC(=O)Cc2ccccc2F)O1	838747054	YFHABQHIEIDELL-JQWIXIFHSA-N	309.341	1.266	50	20	DDGD	
CO[C@H](CNC(=O)NNc1cncc(Cl)n1)C(F)(F)F	733661154	RTHPNMBYLNHKHL-RXMQYKEDSA-N	313.667	1.333	50	20	DDGD	
COc1ccccc1NCC(=O)NN=CCCc1cnn(C)c1	834920149	HKCSBTFYBQHWMX-UHFFFAOYSA-N	315.377	1.575	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1cccc(-c2nn[nH]n2)c1	738136208	BTUQMMBWANOEDO-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
COC(=O)[C@@H](NS(=O)(=O)CCl)c1ccc(OC)cc1	830395691	VMWWPIRNVCLRQJ-JTQLQIEISA-N	307.755	1.025	50	20	DDGD	
Cc1nsc(NC2CC2)c1C(=O)NNC(=O)[C@H]1CCCCO1	833235617	HTYAUWVTBARZKY-SNVBAGLBSA-N	324.406	1.356	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccnc(N2CCCC2)n1	739510485	TVKYJOOULGCBGA-UHFFFAOYSA-N	303.366	1.028	50	20	DDGD	
C[C@]1(C(=O)NNc2cccc(S(C)(=O)=O)c2)CCCCO1	837513698	IOXZMZMMOLRDEO-CQSZACIVSA-N	312.391	1.492	50	20	DDGD	
CC[C@@](C)(CNC(=O)NNc1cccc(C(=O)OC)c1)OC	838661316	MDOVCZSYGPWGAI-HNNXBMFYSA-N	309.366	1.914	50	20	DDGD	
C[C@H]1CCc2c(C(=O)NNC(=O)c3ncon3)csc2C1	832825936	MHFUQBKSBANTOJ-ZETCQYMHSA-N	306.347	1.331	50	20	DDGD	
CC(C)[C@@H](NC(=O)O)C(=O)NN=c1sc2ccccc2n1C	736375240	MZBFWBZQUQUPAV-LLVKDONJSA-N	322.390	1.464	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cc(C(=O)O)no2)cc1	833669287	DTRVYWUFXJVXCW-UHFFFAOYSA-N	303.274	1.010	50	20	DDGD	
CCCNC(=O)NN=C(C)[C@@H]1CN(Cc2ccccc2)CCO1	735614023	PNPPTPIXKWRCJG-INIZCTEOSA-N	318.421	1.973	50	20	DDGD	
C[C@@H]1CC[C@H](CNC(=O)NNC(=O)c2c[nH]c3ccccc23)O1	838741652	NXANOZKBUVIDGF-GHMZBOCLSA-N	316.361	1.679	50	20	DDGD	
COc1cc(C)c(C(=O)NNC(=O)[C@H]2CCCCO2)cc1OC	833246910	UHPOGRFIDZHOAX-GFCCVEGCSA-N	322.361	1.342	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1ccnc(C(=O)O)c1	832980405	DAMYLETWODRHIP-UHFFFAOYSA-N	313.313	1.092	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCN(C(=O)O)C1	739454809	VGZBDLLNUFSBJT-SNVBAGLBSA-N	323.309	1.363	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1ccccc1OC(F)F	744824002	MGOOIQTWRCVXJK-UHFFFAOYSA-N	311.288	1.407	50	20	DDGD	
O=C(Cc1ccn(-c2ccc(F)cc2)n1)NNC(=O)NC1CC1	742053071	AIDTVSHTDPTRKD-UHFFFAOYSA-N	317.324	1.047	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=Cc2cccn2C)C[C@@H](C)O1	916365821	KVBQZHQQLQDWBB-MELADBBJSA-N	306.410	1.221	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccccc2Cn2cncn2)n1	742511101	MXTOQOZZWSTYIF-UHFFFAOYSA-N	323.360	1.490	50	20	DDGD	
CN(C)CCc1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)cc1	848157986	MWRFVKQJHAIRRC-OAHLLOKOSA-N	319.405	1.121	50	20	DDGD	
CC[C@H]1CCC[C@H]1C(=O)NNc1ccccc1S(N)(=O)=O	842256879	KEWMBDXYIBEVMT-WDEREUQCSA-N	311.407	1.603	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@@H]1CCO[C@H]1c1ccncc1	846633797	DKAMAPBSQBOPAT-OCCSQVGLSA-N	305.378	1.743	50	20	DDGD	
CC[C@H](C)CC[C@H](O)CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843970707	JXGXBBPJQPFDOC-ZDEQEGDKSA-N	300.399	1.136	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H](C)CCCN)cc1C	841999600	MDZQIYUQQVFORV-CYBMUJFWSA-N	322.409	1.140	50	20	DDGD	
CC1(C)CCCN(CC(=O)NNC(=O)c2cccc(C#N)c2)C1	744399497	PMGGNDQEEXEIPJ-UHFFFAOYSA-N	314.389	1.441	50	20	DDGD	
Cc1cccc(C)c1NC(=S)NNC(=O)C(=O)N1CCCC1	748152843	YBWLHFYKVSAIEN-UHFFFAOYSA-N	320.418	1.243	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H](C)COCC2CC2)c1	845587796	OIHPROTYGJRQIO-NSHDSACASA-N	321.377	1.914	50	20	DDGD	
O=C(NNC(=O)C1(c2ccccc2)CCNCC1)c1ccccc1	746285011	RCCOBSKUVLCVHB-UHFFFAOYSA-N	323.396	1.769	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1[N+](=O)[O-]	843653875	OULOSQVZHWAWMC-CABZTGNLSA-N	321.333	1.343	50	20	DDGD	
O=C(NN=Cc1cc(Br)cs1)N1CCOCC1	745603215	XQFCNFRGAVCSTA-UHFFFAOYSA-N	318.196	1.886	50	20	DDGD	
CCC(=NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C1CC1	741161381	SEABJJSXKXUFSM-UHFFFAOYSA-N	323.418	1.843	50	20	DDGD	
Cc1nonc1C(=O)NNC(=O)c1cc(-c2ccccc2)on1	746107847	ATMZCFMKJDPLOL-UHFFFAOYSA-N	313.273	1.108	50	20	DDGD	
Cc1ccc(NNC(=O)CN2C(=O)COc3ccccc32)cc1	912596301	HGDMDTFBTWXCNR-UHFFFAOYSA-N	311.341	1.864	50	20	DDGD	
COc1cc(C(=O)NN=Cc2c[nH]nc2C)cc(OC)c1OC	915941660	VEJFQVZVUWNINM-UHFFFAOYSA-N	318.333	1.508	50	20	DDGD	
CS(=O)(=O)c1ccc(NC(=O)NN=Cc2ccncc2)cc1	741767924	HCGQMHUIULIJEK-UHFFFAOYSA-N	318.358	1.641	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2cccc(F)n2)C[C@@H]1Br	912733645	WHDLSLKXVJYYBR-CPCISQLKSA-N	316.130	1.155	50	20	DDGD	
COC(=O)COc1ccc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	842550705	AALJIDAHPQJTFT-BXUZGUMPSA-N	320.345	1.114	50	20	DDGD	
Cc1noc(C(F)(F)F)c1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843651646	DZYAFNXCKGXSFO-RNFRBKRXSA-N	321.255	1.188	50	20	DDGD	
O=C(CCCN1C(=O)CCC1=O)NNc1ccccc1Cl	748292281	NEYGTIJCRVCQOJ-UHFFFAOYSA-N	309.753	1.712	50	20	DDGD	
CCc1ncncc1C(=O)NNc1ccc(CC(=O)OC)cc1	846372154	PLHXIQCGIIHHKS-UHFFFAOYSA-N	314.345	1.511	50	20	DDGD	
CN(C)c1nccc(NNC(=O)CSc2ccccc2)n1	740114287	STTRAWOHNVKTGA-UHFFFAOYSA-N	303.391	1.778	50	20	DDGD	
COCCN(C)NC(=O)C1CCC(OC[C@H]2CCCO2)CC1	848378246	MXCMIAPNWSQGDU-YMAMQOFZSA-N	314.426	1.350	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(OC)cc(OC)c1Cl	841732369	SEXYXVHWFCOXLD-UHFFFAOYSA-N	301.730	1.920	50	20	DDGD	
CO[C@@H](C)CCNC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	743590551	BGPVJXYKPKXUJI-NSHDSACASA-N	323.397	1.513	50	20	DDGD	
CCNC(=O)NN=C(C)c1ccc(OCCOC)c(OC)c1	920825131	MIJRNOYJTBFLLF-UHFFFAOYSA-N	309.366	1.764	50	20	DDGD	
O=S(=O)(CCl)N1CCN(c2cccc3[nH]ccc23)CC1	849402809	QLXYEVQRBZXQDX-UHFFFAOYSA-N	313.810	1.816	50	20	DDGD	
C[C@H]1CC(=NNC(=O)COc2ccc(F)cc2)c2ncnn21	841613386	WWLUDWZDGOBDGU-VIFPVBQESA-N	303.297	1.281	50	20	DDGD	
COc1ccc(NCC(=O)NN=C[C@@H](OC)[C@H]2CCOC2)cc1	841602193	BGYAXEJJQMDYPI-SWLSCSKDSA-N	321.377	1.261	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N[C@@H]1CCCNC1)c1ccccc1	841940942	JHBFEYXYQNRDEX-CYBMUJFWSA-N	304.394	1.047	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)NCc1ccco1)C(=O)N2	920826441	XBLNTELECNHHCN-UHFFFAOYSA-N	314.301	1.444	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1)c1cnn(C)c1	920826343	DUDHMCLGKXYNGT-RWMBFGLXSA-N	321.425	1.006	50	20	DDGD	
COCc1csc(C(=O)NNC(=S)N[C@H](C)C2CC2)c1	855094437	BRNBSZVRDJLNRZ-MRVPVSSYSA-N	313.448	1.802	50	20	DDGD	
CC1(CCNC(=O)NNc2c(F)cc(F)cc2F)OCCO1	921962338	XOFJZUNMLJTOSR-UHFFFAOYSA-N	319.283	1.883	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C(C)(C)SC)c1	854201089	CXDWOUKRURPMFJ-UHFFFAOYSA-N	312.391	1.606	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O	857115899	RZNXVKDHKFRXNE-OLZOCXBDSA-N	323.437	1.751	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2nc3ccccc3[nH]2)CCCC1	857167368	WWHFJLFHIIORHV-UHFFFAOYSA-N	322.390	1.363	50	20	DDGD	
Cc1ccc(NNC(=O)CCC(=O)N2CCC(O)CC2)cc1F	856230469	RBKZSXRYEQXYEA-UHFFFAOYSA-N	323.368	1.341	50	20	DDGD	
CC1(C)OC[C@H](CNC(=O)NC[C@]2(C)C[C@H]2Br)O1	856884353	YIQYJNXDQZJJTG-SBMIAAHKSA-N	321.215	1.611	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](C)c2nnnn2C2CC2)cc1F	854018439	AERBYZCOLPSZLN-VIFPVBQESA-N	319.344	1.843	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2cnc3[nH]nnc3c2)c1	755576544	UAIBDJPLSSAWGC-UHFFFAOYSA-N	302.269	1.258	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccccc1[S@](=O)CC	920823059	MBTMHYWWXJAHEN-OAQYLSRUSA-N	311.407	1.558	50	20	DDGD	
COC(=O)CSCCC(=O)NC[C@@]1(C)C[C@H]1Br	857687772	AYEHZPZJJJFCBP-LDYMZIIASA-N	324.240	1.572	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H]2CCCNCC2)C[C@@H]1Br	857103657	LZIHFDHNXPXECB-JFGNBEQYSA-N	304.232	1.601	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)OCC(F)(F)F	856025168	NTMUVQJWBNBRMM-SSDOTTSWSA-N	324.230	1.913	50	20	DDGD	
COc1ccc(C=NNC(=O)C(=O)Nc2ccccn2)cc1C	758388069	VDLZUPPCKQYXSZ-UHFFFAOYSA-N	312.329	1.487	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1cc([N+](=O)[O-])ccc1O	758097312	AZWDGJDPTRDOKN-UHFFFAOYSA-N	301.262	1.244	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)Nc1nnc(C2CC2)s1	853874677	NWKWGSDABLIRRJ-UHFFFAOYSA-N	322.325	1.416	50	20	DDGD	
CC(C)(C)OC(=O)[C@@H](C(=O)NNC(=O)CC1CC1)C(C)(C)C	854667528	MFQJZGPLWFNQCA-GFCCVEGCSA-N	312.410	1.938	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2C[C@H](C)Cc3c[nH]nc32)o1	857862060	XOCFNPICJIEHFK-KCJUWKMLSA-N	302.334	1.438	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C2(C#N)CC(C)C2)cc1	758343562	MUYIHWZAXBPSIS-UHFFFAOYSA-N	300.362	1.494	50	20	DDGD	
CC(C)(C)Cc1nc2cc(NC(=O)NNC(=O)CO)ccc2o1	756488428	DNSPMVJGQJFAOZ-UHFFFAOYSA-N	320.349	1.561	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CCCN2C(C)C)c([N+](=O)[O-])c1	934912033	HBDRAISKKFXQHN-ZDUSSCGKSA-N	322.365	1.919	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](C)c1nc(C(F)(F)F)no1	862032008	WPLQWOWENPMWSM-YXXZKMSWSA-N	304.228	1.710	50	20	DDGD	
CN(C)C1(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)CCC1	763010415	RZZVPTGCKHENRA-UHFFFAOYSA-N	314.389	1.342	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCc1cncc2ccccc12	765866136	LOORISSSEAPPJA-UHFFFAOYSA-N	300.362	1.860	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2ccc(-n3cccc3)cc2)n[nH]1	765586941	MRAGXFGKSPAQCY-UHFFFAOYSA-N	323.356	1.513	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)c2cccc(Cl)c2Cl)N1	862449059	KXQVDQZSXSOECN-QMMMGPOBSA-N	316.144	1.033	50	20	DDGD	
COCC(=O)NNC(=S)NCc1cccc(C(F)(F)F)c1	761838899	NZLQUZJBBNNKBJ-UHFFFAOYSA-N	321.324	1.347	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=CCCC1CCOCC1	764910767	AFLMTSJBUUHCKR-UHFFFAOYSA-N	323.418	1.787	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@](C)(NC(C)=O)C(C)C	935242255	IGGJYYAZGUXYEV-INIZCTEOSA-N	321.377	1.467	50	20	DDGD	
O=C(Cn1cnc2sccc2c1=O)NNc1ccccc1	868109629	XSMXKKIOARTWPG-UHFFFAOYSA-N	300.343	1.601	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cnn(Cc3ccccc3)c2)n[nH]1	767415600	RZRBDLKZVWOWME-UHFFFAOYSA-N	322.372	1.656	50	20	DDGD	
CN1CCC[C@H](NC(=O)[C@H](Br)C(C)(C)C)C1=O	768226635	LLRZNPIMLRLIAT-IUCAKERBSA-N	305.216	1.533	50	20	DDGD	
O=C1NCC[C@@]1(C(=O)NNc1ncncc1Cl)C1CCCC1	861182506	NSPLLMIXNNEIDH-CQSZACIVSA-N	323.784	1.270	50	20	DDGD	
Cc1ccc(Cl)c(NC(=O)C(=O)NNC(=O)C2CCCC2)c1	764076413	DISUTXLHQIPNKM-UHFFFAOYSA-N	323.780	1.925	50	20	DDGD	
O=C(Cc1ccncc1)NN=Cc1ccn(-c2ccccc2)n1	766704916	IMABDVUHHYGDLU-UHFFFAOYSA-N	305.341	1.960	50	20	DDGD	
CCN(CC)c1ccc(C=NNC(=O)[C@H]2CCC(=O)N2)cc1	863146994	ZDFCSHKMTDTUNA-CQSZACIVSA-N	302.378	1.262	50	20	DDGD	
O=C(NN=Cc1cccc(-c2cccnc2)c1)C(=O)N1CCCC1	768482348	IHBGCZXHEIECIG-UHFFFAOYSA-N	322.368	1.821	50	20	DDGD	
CCOc1cccc(C=NNC(=O)c2ccnc(N(C)C)c2)n1	763175822	LZTAAKYKVRFZNY-UHFFFAOYSA-N	313.361	1.705	50	20	DDGD	
O=C(NNc1ccccc1)N[C@@H]1CCCC[C@@H]1N1CCOCC1	764377781	ZIGXVWZATLXAPT-CVEARBPZSA-N	318.421	1.956	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)[C@H]1CCC(=O)N1)c1cccc(Cl)c1	862456760	SOBPPCKXQLUFJO-YPUOHESYSA-N	321.764	1.169	50	20	DDGD	
Cc1cc2cc(NC(=O)C(=O)NNC(=O)C3CCC3)ccc2[nH]1	764338468	FLQBSNYLKPLMJB-UHFFFAOYSA-N	314.345	1.362	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1NC(=O)NNC(=O)[C@H]1CCCCO1	1117835136	BWWBTOQQPKBUKR-SNVBAGLBSA-N	323.397	1.439	50	20	DDGD	
CCO[C@H](CC(=O)NNC(=O)Cc1ccccc1F)C(C)C	760520229	GLVMWJMCJHFUMR-CQSZACIVSA-N	310.369	1.967	50	20	DDGD	
CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NNc1ccn(C)n1	1116852256	JYACPQKDCXOEBA-GFCCVEGCSA-N	321.406	1.379	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1cccc(-n2cccn2)n1	768504369	PTPZQTVVWKZFRG-UHFFFAOYSA-N	319.328	1.901	50	20	DDGD	
COC(=O)Cc1cccc(C(=O)NNC(=S)NC(C)(C)C)c1	777769930	PZLVYYGRYSTRFB-UHFFFAOYSA-N	323.418	1.310	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)C1(O)CCOCC1	773458153	CWYIDPWMLCHJPB-UHFFFAOYSA-N	302.277	1.273	50	20	DDGD	
COc1ccc(NCC(=O)NN=CC2CCN(C)CC2)cc1	872327643	IRYMDSUJPHXOMG-UHFFFAOYSA-N	304.394	1.551	50	20	DDGD	
CCc1cc(C(=O)NNc2nccc(N(CC)CC)n2)n(C)n1	879172595	KRTJXCZTRYPBAG-UHFFFAOYSA-N	317.397	1.376	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)COC(C)(C)C)cc1	778153681	WYYCNHAVJLWBSE-UHFFFAOYSA-N	322.361	1.114	50	20	DDGD	
O=C(NNc1ccccn1)[C@H]1CCCN(Cc2cccnc2)C1	777471659	VYFJAISJGKZMBA-HNNXBMFYSA-N	311.389	1.832	50	20	DDGD	
Cn1nnc2c1C[C@H](C(=O)NNc1cc(Cl)ccc1F)CC2	871271451	PFUBPFCBDDZEMU-MRVPVSSYSA-N	323.759	1.856	50	20	DDGD	
Cc1nc(O)cc(-c2ccc(NC(=O)NN(C)C(N)=O)cc2)n1	776302175	WRXZHOFCIZYBJO-UHFFFAOYSA-N	316.321	1.205	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CC2OCCCO2)c1	874950058	MVINJHCJCMNDAM-UHFFFAOYSA-N	319.386	1.139	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@]1(CCO)CCOC1	773020217	XIRKSVNGXNAJRR-JOYOIKCWSA-N	308.216	1.454	50	20	DDGD	
Cc1onc(CC(=O)NNc2cc(C#N)cc(Cl)n2)c1C#N	779540099	AIVOOGPASIFNGD-UHFFFAOYSA-N	316.708	1.461	50	20	DDGD	
C[C@H]1CC(=O)CC[C@H]1C(=O)NNc1cccc(S(C)(=O)=O)c1	776526102	LYQHMEZOFDGRBB-IINYFYTJSA-N	324.402	1.539	50	20	DDGD	
COCCOc1ccc(C(=O)NNC(=O)C(C)C)c(Cl)c1	770208829	OWHMGHBVSCSUAF-UHFFFAOYSA-N	314.769	1.782	50	20	DDGD	
Cc1ccn(CC(=O)NNc2cnnc3ccccc23)c(=O)c1	774019892	XQVSOMVGYANLGY-UHFFFAOYSA-N	309.329	1.243	50	20	DDGD	
Cc1nc(C(C)(C)C)nc(O)c1C(=O)NNc1cnccn1	775281836	YDQULSWIQWFLSE-UHFFFAOYSA-N	302.338	1.335	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874952766	GODQQWNXIWISME-HNNXBMFYSA-N	324.450	1.885	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCCc1nn(C)c2ccccc12	773475866	ZYAWJANRVHQZTJ-UHFFFAOYSA-N	303.366	1.102	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccccc1C(=O)NC(C)(C)C	770030795	MWCFFZCVXKCXCV-UHFFFAOYSA-N	322.365	1.998	50	20	DDGD	
CCOCCONC(=O)NNC(=O)c1ccc2ccccc2c1	773213794	ZIECANZONOEDFM-UHFFFAOYSA-N	317.345	1.752	50	20	DDGD	
Cc1nn(C)c(C(=O)NNc2cc(Cl)ccn2)c1[N+](=O)[O-]	778451174	FWDJQPOEHLCHTB-UHFFFAOYSA-N	310.701	1.442	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@]1(OC)CCSC1)c1ccccc1	888907575	PGOXHOODKNOZPD-CZUORRHYSA-N	322.430	1.850	50	20	DDGD	
CSc1cc(CNC(=O)NNC(=O)C2CCOCC2)ccn1	883549892	ZTVQVXWPTCWCSJ-UHFFFAOYSA-N	324.406	1.061	50	20	DDGD	
Cn1ncc(NC(=O)NNc2ncccn2)c1C(F)(F)F	782100877	RMGXHJPKFMUTAU-UHFFFAOYSA-N	301.232	1.378	50	20	DDGD	
CC(C)[C@H](NS(=O)(=O)CCCCl)C(=O)N1CCCC1	881894477	DYSQOWLMMNENDR-NSHDSACASA-N	310.847	1.182	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C2(SC)CC2)cc1OC	788694733	QLPXPCPOFWLUDX-UHFFFAOYSA-N	324.402	1.751	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](Br)C(C)(C)C	887147132	ZBLKUJBGBVBVPL-SNVBAGLBSA-N	303.200	1.747	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H](c2ccccc2)C1)c1cccnn1	883849608	FYWFBRFPJBRPQT-ZDUSSCGKSA-N	311.345	1.321	50	20	DDGD	
Cn1cnc(C(=O)NNc2nnc(-c3ccccn3)s2)c1	788557035	ZNEAHIWAOVYZGR-UHFFFAOYSA-N	301.335	1.091	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)c1cncc(O)c1	785750473	AVQNRWFDKOESDB-UHFFFAOYSA-N	321.336	1.944	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)c1	787194852	IXFZPUGMLVLRLO-VHSXEESVSA-N	321.768	1.341	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2CCN3CCCC[C@@H]23)n1	780005149	DHADKDSTAWOMOF-NEPJUHHUSA-N	305.382	1.343	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H]1CCC(=O)c2ccccc21	785954772	FCUAGHYUMPPZHZ-ZDUSSCGKSA-N	303.362	1.877	50	20	DDGD	
Cc1nc(Cl)ccc1NC(=O)C(=O)NNc1ccccn1	789722149	XEUSKYJBNZUMQW-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(NC(C)=O)ccc1C	781982721	RFOUVWUQPUWTCZ-UHFFFAOYSA-N	315.333	1.509	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)n1	895902341	WMNHSPMQPOQKPV-UHFFFAOYSA-N	313.313	1.236	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H]1CN(C)CCO1	798141667	DIIWQZDKLBTOGT-VIFPVBQESA-N	313.789	1.027	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)c1n[nH]cc1C	799410068	DIKFKELZEPASFX-UHFFFAOYSA-N	305.363	1.358	50	20	DDGD	
CC(C)Oc1ncccc1C(=O)NNC(=O)c1cccc(C#N)c1	790443738	WKEDAQVCOGHZQG-UHFFFAOYSA-N	324.340	1.815	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Cc1ncccc1F	792156679	HSUSVVDZXKUCRL-UHFFFAOYSA-N	303.293	1.233	50	20	DDGD	
C[C@@H]1CCC[C@@H]1CNC(=O)NNc1ccc(-n2cccn2)nn1	798512601	NDKXHKBWPYPIDX-VXGBXAGGSA-N	315.381	1.725	50	20	DDGD	
CSSCCNS(=O)(=O)c1csc([N+](=O)[O-])c1	790349525	RKFCLJIBNNPEKT-UHFFFAOYSA-N	314.435	1.946	50	20	DDGD	
Cn1nncc1C(=O)NNc1ccc(Br)cc1F	798981335	HLJXIEGEACFDGJ-UHFFFAOYSA-N	314.118	1.474	50	20	DDGD	
Cc1cccc2c1NC(=O)C2=NNC(=O)c1ccc(O)c(O)c1	794556393	YKDFQCHXWFGQIG-UHFFFAOYSA-N	311.297	1.492	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)n1	793050315	FMCLESSISJWVEG-TZMCWYRMSA-N	318.377	1.292	50	20	DDGD	
Cc1nccn1CCNC(=O)NNC(=O)c1ccccc1Cl	1318135021	HDVSFIGGZVQKPA-UHFFFAOYSA-N	321.768	1.489	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1c(C)nc2sccn12	1318160932	SRRXWGNZFNWEFV-UHFFFAOYSA-N	307.379	1.470	50	20	DDGD	
O=C(NNc1cncc(Br)c1)[C@@H]1C[C@H]2CC[C@H]1O2	1323066454	ILJXBZVSSTVPLU-GMTAPVOTSA-N	312.167	1.855	50	20	DDGD	
CCCOc1ccc(NC(=O)NNC(=O)CCO)cc1Cl	1320509245	IRRBPWJBTATZEZ-UHFFFAOYSA-N	315.757	1.664	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C1(C(C)(F)F)CC1	1327193461	HNTXEZPPAWWSJA-SECBINFHSA-N	320.336	1.547	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNc1nncc(N)c1Cl	1320803625	MXZVLNBDCOVLIE-IWSPIJDZSA-N	312.805	1.417	50	20	DDGD	
CC(C)(C)c1ccc(NC(=O)NNc2ncncc2F)nn1	1326227284	JRMQRUBQXWBIIM-UHFFFAOYSA-N	305.317	1.852	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Cc2c[nH]c3cnccc23)c1	1324713293	LGDUFRWGEKNERM-UHFFFAOYSA-N	319.324	1.438	50	20	DDGD	
CC(C)(C)c1ccc(NC(=O)NNC(=O)[C@H]2CCCCO2)nn1	1325358898	JYXRRLBDDMDHGT-SNVBAGLBSA-N	321.381	1.496	50	20	DDGD	
CC(=NNC(=O)C[N+](C)(C)C)c1cnn(-c2ccccc2)c1	1325011617	LKCMJPPSPQLFFJ-UHFFFAOYSA-O	300.386	1.419	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc3cncn3c2C)c(O)c1	1320840536	SVZHQUDSBVDBSG-UHFFFAOYSA-N	324.340	1.732	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCC[C@@H]2OC)c(OC)c1	1335791028	XHXDZJWXCXJAMK-AAEUAGOBSA-N	322.361	1.280	50	20	DDGD	
Cc1ncccc1CC(=O)NNC(=O)c1ccc2ccccc2n1	1257391167	LEWPSDAQLXXKQG-UHFFFAOYSA-N	320.352	1.942	50	20	DDGD	
CC1(C)CCC(CNC(=O)NNC(=O)C2CCNCC2)CC1	1331455034	CRYSOSAIAMMYSG-UHFFFAOYSA-N	310.442	1.533	50	20	DDGD	
CN1C(=O)NCC12CCN(C(=O)C1CCC(Cl)CC1)CC2	1347704864	OGLRZSCKZOPWCP-UHFFFAOYSA-N	313.829	1.800	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC[C@H](c2nn[nH]n2)C1	1347198926	TUNKNZUMHHJUQT-YUMQZZPRSA-N	316.203	1.325	50	20	DDGD	
N#Cc1c(F)cccc1C(=O)NNc1nncc(N)c1Cl	1343110614	SAVKJDOTUONLGR-UHFFFAOYSA-N	306.688	1.480	50	20	DDGD	
Cc1cc(C=NNC(=O)Cn2c(C)nc3ccccc32)ncn1	1343847268	WFIFZOQPGXYSJK-UHFFFAOYSA-N	308.345	1.593	50	20	DDGD	
COc1ccc(CCC(=O)NNc2ccn(C)n2)cc1OC	1344049711	RTIYGHYNDDZENK-UHFFFAOYSA-N	304.350	1.513	50	20	DDGD	
Cc1cccc(NNC(=O)C(=O)Nc2ccc(C(C)C)nc2)n1	1354382576	HMUKSDCCKGAGGL-UHFFFAOYSA-N	313.361	1.990	50	20	DDGD	
Cc1cc(CCC(=O)NNc2cccc(C(=O)O)c2F)n[nH]1	1607638210	OAXFSTAOHGPHPO-UHFFFAOYSA-N	306.297	1.631	50	20	DDGD	
O=C(NC[C@H]1CCCSC1)NNc1ncccc1C(=O)O	1605768986	OXYAYJOVQZKXQT-SECBINFHSA-N	310.379	1.549	50	20	DDGD	
O=C(O)/C=C\c1ccc(C=NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)o1	1608658735	CEKNPHGEJCYMDU-SFCBLSEVSA-N	304.302	1.395	50	20	DDGD	
O=C(NC[C@@H]1C[C@@H]2CC[C@H](C1)N2)NNc1cccc(C(=O)O)c1	1601519024	LDRNWJSHJDFPCD-LMKPVCQUSA-N	318.377	1.542	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1oc(C(=O)O)cc1C	1600575330	BKAOFOFSRAFSHF-UHFFFAOYSA-N	316.313	1.598	50	20	DDGD	
CC(C)(C)OC(=O)COCC(=O)NNc1ccccc1C(=O)O	1609659510	VQDGWHJMOCTLOB-UHFFFAOYSA-N	324.333	1.186	50	20	DDGD	
Cc1c[nH]ccc1=NNC(=O)Nc1nc(CCC(=O)O)cs1	1600631612	LLJXBVUBZRZLPX-UHFFFAOYSA-N	321.362	1.434	50	20	DDGD	
O=C(COc1ccc(F)cc1)NN=C1C[C@H]2C[C@@H](C(=O)O)[C@H]1C2	1601343126	HXWLNWSCROEYIT-OASPWFOLSA-N	320.320	1.807	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2nnc(O)c3ccccc23)c1	1602450154	MGPVUAYCYDXCPL-UHFFFAOYSA-N	324.296	1.791	50	20	DDGD	
O=C(NC[C@@H]1CCCCN1)NNc1ccc(C(=O)O)cc1F	1610692473	ONOSFYPQMZFTKE-JTQLQIEISA-N	310.329	1.292	50	20	DDGD	
CCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Cl)C2	1803199943	RFBNNBGONQEDKS-LSCVPOLPSA-N	320.792	1.586	50	20	DDGD	
COCCC(C)=NNC(=O)[C@H]1CCCO[C@H]1c1nccn1C	1549315156	KXCWSDROIQCFCS-QWHCGFSZSA-N	308.382	1.416	50	20	DDGD	
CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1	1817015120	NAXWHQNONPJJFA-WDEREUQCSA-N	314.773	1.021	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc([C@H](C)N)cc2)cc1	1579194069	GMEWIIXNHBDRGT-NSHDSACASA-N	313.357	1.790	50	20	DDGD	
C[C@H](N)C[C@@H](C)NC(=O)NNc1cccc2c1OC(F)(F)O2	1576145169	MENPPUYWCUYUEI-JGVFFNPUSA-N	316.308	1.760	50	20	DDGD	
CC[C@@H]1NCC[C@@H]1C(=O)NNC(=O)COc1ccc(C)c(C)c1	1577309652	YMEXNZZVZQJXHY-GJZGRUSLSA-N	319.405	1.218	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNc2ccc(CC(=O)O)cc2)o1	1589277273	KPBHHJUIEBLFHO-UHFFFAOYSA-N	302.286	1.866	50	20	DDGD	
Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNc1ccccc1F	1580465214	RPRFDVWSQJORNX-UHFFFAOYSA-N	301.285	1.399	50	20	DDGD	
CC1(C)OC[C@@H]2C[C@]21C(=O)NNc1ccc(F)c(C(=O)O)c1	1593975288	AOKSBGKPCYTWGQ-VXJOIVPMSA-N	308.309	1.782	50	20	DDGD	
C[C@@H]1CCN(CCNC(=O)NNc2cccc(C(=O)O)c2F)C1	1594420538	ZHCXFVRLYVRZIZ-SNVBAGLBSA-N	324.356	1.492	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@H]1CCSC1	1593161143	KUWPFACPJCCALM-ZETCQYMHSA-N	324.797	1.716	50	20	DDGD	
CC1(CNC(=O)NNc2ccc(CC(=O)O)cc2)CCOCC1	1594020664	VKDXCIWDWDHXCP-UHFFFAOYSA-N	321.377	1.757	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2cccc(-c3nn[nH]n3)c2)[C@@H](C)O1	1590180169	DVDZISLSKWDCHG-RKDXNWHRSA-N	300.322	1.150	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cc(C(=O)O)sc2C)n1	1599722240	FALHAOITXDMGAS-UHFFFAOYSA-N	323.334	1.702	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NN=C1CCCc2ncc(C(=O)O)cc21	1776101873	BFXFZDAFHVTWEL-FZMZJTMJSA-N	317.345	1.361	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccccc1OCCC(=O)O	1776115670	HZERDPHMFRPZNO-RAXLEYEMSA-N	319.313	1.637	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl)c1ccc[nH]1	1796807598	QKNZSRLNCJYLGA-DTHBNOIPSA-N	313.760	1.801	50	20	DDGD	
C#CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl	1796811855	XFBPFGATKULASX-NOHGZBONSA-N	300.761	1.572	50	20	DDGD	
CCc1n[nH]c(SCC(=O)NNC(=O)c2ccc(C)cc2)n1	11712645	IPYOVPZQFGMDNG-UHFFFAOYSA-N	319.390	1.229	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1	13988750	SUXAZVYKLBMKQB-UHFFFAOYSA-N	313.313	1.940	50	20	DDGD	
Cc1noc2nc(C3CC3)cc(C(=O)NNC(=O)C(C)C)c12	14350825	DJBMTDKZLXPOIQ-UHFFFAOYSA-N	302.334	1.826	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	161149073	WNWIOQSEBJFYDM-AXTRIDKLSA-N	323.784	1.714	50	20	DDGD	
C[C@@H](OC[C@H]1CCCCO1)C(=O)NNc1ccc(C#N)cc1	155296673	SSTPIKISEIBCSS-IUODEOHRSA-N	303.362	1.976	50	20	DDGD	
Cc1cc(NNC(=O)c2ncn(-c3ccccc3)n2)nc(C)n1	157265132	KELZGAWTPFJXSE-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
O=C(CCc1c[nH]c2ccccc12)NNc1ncnc2nc[nH]c12	156291265	WEGMCMLOYITMRK-UHFFFAOYSA-N	321.344	1.910	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CN(C)[C@H]2CCSC2)cc1	159060834	RSXGGROREPIIKA-AWEZNQCLSA-N	321.446	1.447	50	20	DDGD	
O=S(=O)(CCCCl)N1CCN(C2CCCCC2)CC1	881997339	YVLAKUOSXJFVNB-UHFFFAOYSA-N	308.875	1.895	50	20	DDGD	
Cc1ncccc1C(=O)NNC(=O)c1cc(Cl)ccc1O	108447152	VSXSPUQCHIPNOO-UHFFFAOYSA-N	305.721	1.824	50	20	DDGD	
C[C@@H](c1cccnc1)N(C)C(=O)NNC(=O)Cc1cccnc1	103518429	VHGMCXOVNHMDBA-LBPRGKRZSA-N	313.361	1.453	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2ccc(O)nn2)c1C	21297136	WGTRAPXRBBPGOM-UHFFFAOYSA-N	317.374	1.430	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)Cc2cc[nH]n2)c1C	106416996	IOUYKUPYRZHBBN-UHFFFAOYSA-N	316.361	1.186	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	55617642	SITIWPXSOISEJT-QMMMGPOBSA-N	315.351	1.259	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2)cc1F	55549164	VZHLOYTURLPGQW-UHFFFAOYSA-N	308.334	1.757	50	20	DDGD	
CO[C@@H](C)C(=O)N/N=c1\nc(-c2ccccn2)[nH]c(C)c1C	114891392	TYWWYCVIGPADPC-NSHDSACASA-N	301.350	1.055	50	20	DDGD	
CCN(CC)C(=O)c1ccc(C(=O)NNC(=O)C(C)(C)C)cc1	104269334	ONPSEBWIFPUGRQ-UHFFFAOYSA-N	319.405	1.976	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(C)c(F)cc1F	176183838	RNNLJGRFGJLTNN-UHFFFAOYSA-N	301.293	1.254	50	20	DDGD	
CCN1CCC(NC(=O)NNc2ccc(C(C)(C)C)nn2)CC1	118565094	FEOLJXMJACNFIB-UHFFFAOYSA-N	320.441	1.885	50	20	DDGD	
CC(C)CS(=O)(=O)CCC(=O)NNc1nccnc1Cl	114895413	KWAAFRVJOAZGKM-UHFFFAOYSA-N	320.802	1.034	50	20	DDGD	
CC(=O)[C@@H]1CC(C(=O)NNc2cnccn2)=NN1c1ccccc1	114879682	ANKXPERTUANKNZ-AWEZNQCLSA-N	324.344	1.144	50	20	DDGD	
O=C(NN[C@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1	25692807	NYWRACUGIPMISE-INIZCTEOSA-N	309.369	1.941	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@H]2C[C@@H]2C2CC2)c1	175874793	VQOOHCQJJKACLJ-KGLIPLIRSA-N	303.362	1.301	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)Cc2ccoc2C)cc1	113930147	JDDIRBCKYDHKJL-UHFFFAOYSA-N	315.373	1.789	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2ccc([C@@H](C)O)cc2)o1	176472535	JKIVZBGGDHBMOM-LLVKDONJSA-N	317.345	1.786	50	20	DDGD	
CCC(CC)n1ncc(C(=O)NNC(=O)N2CCOCC2)c1C	179271798	CQKVYUKZXKOUGI-UHFFFAOYSA-N	323.397	1.239	50	20	DDGD	
CCN1CCO[C@H](C(=O)NNc2cccc3c2CCCC3)C1	120326100	MNLFFHDNVFPENX-INIZCTEOSA-N	303.406	1.729	50	20	DDGD	
COc1c(F)ccc(F)c1C(=O)NNC(=O)c1ccccc1O	124131370	HOXRNNIZQNGFOB-UHFFFAOYSA-N	322.267	1.754	50	20	DDGD	
CC(C)OCc1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1	32258411	ZSSGKMSOAULBCB-AWEZNQCLSA-N	306.362	1.552	50	20	DDGD	
CCCN1CCC[C@@H]1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	123804727	KCUZXZICGWFDMV-CYBMUJFWSA-N	320.349	1.230	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1cc([N+](=O)[O-])cnc1N	185572271	RMIOIOYAULRXNU-UHFFFAOYSA-N	305.269	1.776	50	20	DDGD	
Cn1ncc2c1CCC[C@@H]2NS(=O)(=O)CBr	127297570	LQGGXCVYNCSNET-QMMMGPOBSA-N	308.201	1.069	50	20	DDGD	
NC(=O)NCCC(=O)NN=C(c1ccccc1)c1ccccc1	123661121	PPRLJTBQRUSPQY-UHFFFAOYSA-N	310.357	1.614	50	20	DDGD	
COc1ccnc(NNC(=O)NCC[C@@H](C)N2CCCCC2)n1	182654475	PHNRXHQBJCWSAR-GFCCVEGCSA-N	322.413	1.376	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)Cc1cccs1	121574605	GWCVQTXQZUICPK-UHFFFAOYSA-N	314.370	1.328	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)c1F	126105114	UJDSGEHWGOSKQM-UHFFFAOYSA-N	309.341	1.656	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1nc2c(s1)CCCCC2	185955008	GZVHADCCEYYHQX-UHFFFAOYSA-N	311.411	1.126	50	20	DDGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(N)=O)c1C	72646008	WVABJODODKFRSI-ZSOIEALJSA-N	303.362	1.841	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCS[C@@H]2COCC[C@@H]21	154761426	QVHPCAQOGYOQEX-WDEREUQCSA-N	313.872	1.542	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cnn(-c2ccccc2)c1	186014389	OKRZQQPBIHMRNS-UHFFFAOYSA-N	303.322	1.062	50	20	DDGD	
COc1cccc(NNC(=O)CN(C)Cc2ccccc2)n1	180731648	HNWIOGKJQQLNDO-UHFFFAOYSA-N	300.362	1.665	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2ccc(C#N)cc2)c1	181160784	YELLCJYEJKAPKR-UHFFFAOYSA-N	315.354	1.719	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1cncc(O)c1	188439409	ZNGAMOSXXSGUDN-UHFFFAOYSA-N	314.330	1.458	50	20	DDGD	
COCCOCCC(=O)NNc1nc(-c2ccccc2)no1	76461498	KICDACCXUDZXFR-UHFFFAOYSA-N	306.322	1.233	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNc2cc(F)cc(OC)c2)C1	127184435	IUVTXWLZSXLLLX-JTQLQIEISA-N	309.341	1.536	50	20	DDGD	
O=C(CCc1ccc2[nH]ccc2c1)NNC(=O)N1CCOCC1	180089004	VZNWUHMKYKGIML-UHFFFAOYSA-N	316.361	1.174	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(F)c(F)c1F	78696132	SVXHNDXJBNUQAJ-UHFFFAOYSA-N	305.256	1.084	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(-n2cccn2)nn1)c1ccccn1	43192209	MMLNZPIETKEDHX-LLVKDONJSA-N	324.348	1.445	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)NCc2ccco2)cc1	73117641	NISABGJGLUZSPK-UHFFFAOYSA-N	314.301	1.061	50	20	DDGD	
CCc1cccc(CC)c1NC(=O)C(=O)NNC(=O)C(C)(C)C	184495262	IRKVLTYFXFKQAB-UHFFFAOYSA-N	319.405	1.943	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1c[nH]c2c(C)cccc12	132038907	QNUGPRROCCRPLG-UHFFFAOYSA-N	318.377	1.386	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(F)cc1Br	49279652	BITVRFIJKUNXFQ-UHFFFAOYSA-N	318.146	1.942	50	20	DDGD	
CCC[C@H]1CN(CC(=O)NNC(=O)c2ccc(F)cc2)CCO1	132139693	WPCJYODHQAREBI-AWEZNQCLSA-N	323.368	1.088	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)c2c(C)nc3ccccn23)cn1	80006194	YTPSGKIAIIEVNX-UHFFFAOYSA-N	323.356	1.350	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccn(CC(F)F)n1	194386603	RUIGPDRGAMHDAF-UHFFFAOYSA-N	311.248	1.813	50	20	DDGD	
C[C@H]1CCC[C@H](C)C1NC(=O)NNC(=O)Cc1cccnc1	86427518	XGWYROZVMYFOGP-RYUDHWBXSA-N	304.394	1.779	50	20	DDGD	
O=C(NCCc1ccc(F)c(F)c1)NNC(=O)c1ccc[nH]1	190375911	YTDNSCHOGMYKNN-UHFFFAOYSA-N	308.288	1.480	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)NCC2CCC2)nc2ccccc21	47053622	IVINAKPDKNSGAG-UHFFFAOYSA-N	315.377	1.246	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1csc(C2CC2)n1	194947163	LCAKPWBQWQVWLT-UHFFFAOYSA-N	303.343	1.801	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)C(=O)NC1CC1)c1ccc(C)cc1	193184105	WUZGGVIFUZLJMO-ZDUSSCGKSA-N	318.377	1.055	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1n[nH]c2c1CCCCC2	191887800	ADMFUGAUGLJJCS-UHFFFAOYSA-N	311.349	1.478	50	20	DDGD	
O=C(NCc1cccc(C(F)(F)F)c1)NNC(=O)C(F)F	194450326	APUZFSUJCQZLMK-UHFFFAOYSA-N	311.210	1.801	50	20	DDGD	
CC(C)(N)CC(=O)NNc1nc(-c2ccc(Cl)cc2)no1	236858638	QWKZSUKEUROUDP-UHFFFAOYSA-N	309.757	1.961	50	20	DDGD	
C[C@H]1[C@H](C)CCN1CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	248367232	TVAKPWZSNXDQHZ-MNOVXSKESA-N	320.349	1.086	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCC1(C)CCOCC1	267855537	RIVHWXFGMJYTFH-UHFFFAOYSA-N	305.378	1.756	50	20	DDGD	
O=C(CNC(=O)C1CCCCC1)NNc1ccc([N+](=O)[O-])cc1	269021410	JYSKMDMKFIGHQM-UHFFFAOYSA-N	320.349	1.734	50	20	DDGD	
O=C(NNc1cccnn1)N[C@H]1CCOC2(CCCCC2)C1	269373593	XCAKVJHOISQPPS-LBPRGKRZSA-N	305.382	1.985	50	20	DDGD	
CC(C)OCCCN(C)C(=O)NNC(=O)Cc1cccnc1	265889423	DXXXOSFDDYYWMG-UHFFFAOYSA-N	308.382	1.112	50	20	DDGD	
CCC(CC)[C@@H](O)CNC(=O)NNC(=O)c1cccc(C)n1	279739303	XBVXCFACTITPHE-ZDUSSCGKSA-N	308.382	1.131	50	20	DDGD	
Cc1c(Cl)cccc1NC(=O)C(=O)NNC(=O)CC1CC1	274063183	LYCJGXQJKCPSIP-UHFFFAOYSA-N	309.753	1.534	50	20	DDGD	
C[C@](O)(C(=O)NNc1nc(-c2ccc(Cl)cc2)no1)C1CC1	367645714	RHJRXZYLLGFQMB-CQSZACIVSA-N	322.752	1.994	50	20	DDGD	
CCCOc1ccc(OCC(=O)NN(C)C(=O)NCC)cc1	272699694	TWEUXBFTLPMGAY-UHFFFAOYSA-N	309.366	1.547	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNC(=O)c2ccccn2)C1(C)C	273559534	WYQFVKKLAVNVGH-NEPJUHHUSA-N	303.362	1.484	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cc(OC)n(C)n2)cc1	274566299	BHMIJZBETQNBOQ-UHFFFAOYSA-N	302.334	1.066	50	20	DDGD	
CS[C@H](C)CC(=O)NNC(=O)COc1ccccc1F	270141224	REQDYYKEKJQPHF-SECBINFHSA-N	300.355	1.494	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccc2c(c1)OC(F)(F)O2	273309749	HPYDSYAGBUSUAA-UHFFFAOYSA-N	313.260	1.961	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cc(COc2ccccc2F)on1	274306657	VIGCBFGAXLGURK-UHFFFAOYSA-N	319.292	1.564	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccnc1OCC(F)F	276021584	KMBPTXBZLJQCGQ-UHFFFAOYSA-N	317.296	1.423	50	20	DDGD	
CC(C)CSCCNC(=O)NNC(=O)c1ccccc1O	270509521	XBCONPPCOSIYJV-UHFFFAOYSA-N	311.407	1.725	50	20	DDGD	
C[C@@H](CCCc1ccccc1)C(=O)NNc1nccn(C)c1=O	271829540	OLGBGGBFVIUCPQ-ZDUSSCGKSA-N	314.389	1.882	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@H]2CCSC2)cc(C#N)n1C	279903249	UZSMOTLJIVKAFP-ASUWMBMTSA-N	314.414	1.981	50	20	DDGD	
C[C@H](CO)CCCNC(=O)NNC(=O)c1cccc(N(C)C)c1	270518427	MKJYUGSAPPCAIN-LBPRGKRZSA-N	322.409	1.105	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2Cc3cc(F)ccc3O2)n1	373762204	VPVBTIGNIVKJBE-AWEZNQCLSA-N	315.304	1.294	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C	286003486	HOLNYJCVDUIPLZ-SECBINFHSA-N	324.381	1.251	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1cnn(CCF)c1	287800088	UIMDWDDLGRKKLE-UHFFFAOYSA-N	318.234	1.418	50	20	DDGD	
Cc1ccc2c(c1)[C@H](NC(=O)NNc1nc3ccccn3n1)CO2	375474720	RZODBSQDXXQNSU-GFCCVEGCSA-N	324.344	1.798	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNc1nccnc1C1CCC1	287203656	NDRNLHUQCWVVEM-UHFFFAOYSA-N	319.409	1.836	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1cccc(O)c1O	287249725	QTPNKJNKHUNFSE-UHFFFAOYSA-N	300.318	1.912	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1ccc(C(C)(C)C)s1	288931065	NBWPIOZQYZZQMI-UHFFFAOYSA-N	306.409	1.937	50	20	DDGD	
O=C(Cn1cc(Cl)cn1)NNC(=O)c1c[nH]c2ccccc12	806341999	AWLYEPIXGTUBGZ-UHFFFAOYSA-N	317.736	1.479	50	20	DDGD	
CC[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CCCO1	292173277	PUNUZSJFSGFXCX-YPMHNXCESA-N	310.325	1.310	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@@H]1CCCCO1)c1ccc2c(c1)OCO2	295665127	WJVBZUVFSUAERW-GWCFXTLKSA-N	320.345	1.235	50	20	DDGD	
Cn1nnc2c(C(=O)NNc3ccc(F)c(F)c3F)ccnc21	801176193	QYUODPJRSJDDFR-UHFFFAOYSA-N	322.250	1.538	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc(Cl)c(C(N)=O)c1	298677778	VDYXXGBTAMRQFN-UHFFFAOYSA-N	312.757	1.638	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H](OC)C2CC2)c1	297216667	DVTIQGPRTTUNEJ-CYBMUJFWSA-N	307.350	1.524	50	20	DDGD	
Cc1n[nH]c(SCC(=O)NN(C)C(=O)OC(C)(C)C)n1	297557948	GGCSSGBQGAKPTJ-UHFFFAOYSA-N	301.372	1.103	50	20	DDGD	
N#Cc1ncn(CCNC(=O)NNc2c(F)cccc2Cl)n1	807512089	KMCZFMSGQVXSSR-UHFFFAOYSA-N	323.719	1.269	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1cc2c(c([N+](=O)[O-])c1)OCO2	804766299	MXJZEIOSVJZBBN-UHFFFAOYSA-N	320.236	1.615	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc(CN3CCCC3)on2)n1	292537174	IBPCQZBHILTDQO-UHFFFAOYSA-N	316.365	1.434	50	20	DDGD	
Cn1ccc2cccc(NC(=O)NNC(=O)[C@@H]3CCCCO3)c21	297856398	PBCVWHJBAPADJI-ZDUSSCGKSA-N	316.361	1.900	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cc(Br)c[nH]1)C1CC1	806323834	AOMBUMSVSFUVDQ-UHFFFAOYSA-N	314.183	1.974	50	20	DDGD	
Cc1cccc(F)c1S(=O)(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	295171145	GLOZNBFGFLNYAJ-ONGXEEELSA-N	316.354	1.011	50	20	DDGD	
COC[C@@H](C)CNC(=O)NNC(=O)Nc1ccc(Cl)cc1	296210913	DAQXFHMLKMMINH-VIFPVBQESA-N	314.773	1.958	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](C)CCCCN	292212201	ZAISLAKBMNROFH-JTQLQIEISA-N	300.834	1.986	50	20	DDGD	
CCc1[nH]c(C(=O)NNc2ncncc2F)c(C)c1C(=O)OC	294237809	ZQHNIPPADIHRLF-UHFFFAOYSA-N	321.312	1.358	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NN(C)C(=O)OC(C)(C)C)c1	297803396	WGRVMHYHFFFLBH-UHFFFAOYSA-N	307.350	1.558	50	20	DDGD	
CCCCN(C)C[C@@H](C)NC(=O)NNc1ccc(Cl)nn1	291735002	BWOPNLDJCQPTKC-SNVBAGLBSA-N	314.821	1.877	50	20	DDGD	
CC(C)c1nn(C)c2sc(C(=O)NNc3nnc[nH]3)cc12	298105132	CAUTZAMFNBXIAC-UHFFFAOYSA-N	305.367	1.633	50	20	DDGD	
CCNC(=O)NNC(=O)c1cn(-c2ccccc2)nc1C(C)C	819165157	ZJMRHTDGYWEENB-UHFFFAOYSA-N	315.377	1.960	50	20	DDGD	
C=CCC(F)(F)C(=O)NNC(=O)CSc1ccccc1O	815889985	SERPRWFNAIAXAG-UHFFFAOYSA-N	316.329	1.843	50	20	DDGD	
O=C(COc1ccc(CO)cc1)NNc1ccccc1[N+](=O)[O-]	816918100	ORRNNBZZCUWDIN-UHFFFAOYSA-N	317.301	1.609	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@](C)(OC)C2CC2)n1	812533428	SKTJLLGCEXWAJX-OAHLLOKOSA-N	307.398	1.581	50	20	DDGD	
CC(C)O[C@H](C(=O)NNC(=O)Cc1cc[nH]n1)c1ccccc1	815475424	LJCUBOVSXFLLSD-HNNXBMFYSA-N	316.361	1.266	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1cccc(-n2cccn2)c1	815001636	RRPAPRAQYXOUQQ-UHFFFAOYSA-N	306.329	1.845	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=C[C@@H]2CCOC2)cc1	812433913	NSOSAIRAPIBMIK-STQMWFEESA-N	306.362	1.991	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1ccc(-n2ccnc2C)cc1	814957632	KYYBIKIUZBTNKS-UHFFFAOYSA-N	322.372	1.987	50	20	DDGD	
C[C@@H]1C(=NNC(=O)c2ccnnc2)CC[C@@H](C(=O)O)C1(C)C	817341662	WFCRQOQGTKOYLC-KOLCDFICSA-N	304.350	1.719	50	20	DDGD	
Cc1ccc2nc(C(=O)NNC(=O)c3c[nH]nc3C)ccc2c1	815506340	UOASNFGKFZMHAT-UHFFFAOYSA-N	309.329	1.650	50	20	DDGD	
CC(=O)N[C@H]1CCN(C(=O)[C@H](Br)C(C)(C)C)C1	817639781	NKJKQGLSSOTRQW-UWVGGRQHSA-N	305.216	1.533	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCc2cccnc21	819935182	REEOJSDHHPCSJL-GFCCVEGCSA-N	321.377	1.048	50	20	DDGD	
CC(=NNC(=O)NCCNC(=O)OC(C)(C)C)c1c[nH]nc1C	814851540	OIPJKDVMOSIGSJ-UHFFFAOYSA-N	324.385	1.266	50	20	DDGD	
O=C(O)CCCNC(=O)NNC(=O)c1ccc2ccccc2n1	819443090	MUWJEPAZWQFUGY-UHFFFAOYSA-N	316.317	1.044	50	20	DDGD	
CSC[C@@H](C)C(=O)N1CCC(C(=O)NN(C)C2CC2)CC1	819652665	ZKCRCWJTBUPVLP-LLVKDONJSA-N	313.467	1.350	50	20	DDGD	
CCN(CC(=O)NNC(=O)C(C)C)c1ccc2[nH]ccc2c1	829150554	CKZPIOXRARBTBX-UHFFFAOYSA-N	302.378	1.798	50	20	DDGD	
CN1C(=O)CC[C@H]1CC(=O)NNC(=O)C(C)(C)c1ccccc1	826921663	SLCSNORCSQRAOI-ZDUSSCGKSA-N	317.389	1.123	50	20	DDGD	
Cc1ccccc1OCC(=O)NNC(=S)N[C@H](C)C1CC1	727270355	JRLSCSBMHWHLQZ-LLVKDONJSA-N	307.419	1.668	50	20	DDGD	
O=C(NCc1ccco1)NNC(=S)NCCc1cccs1	727699415	ZNCCDVLWNMUVNK-UHFFFAOYSA-N	324.431	1.762	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C\c1n[nH]c2cc(C(=O)O)ccc12	490784054	VYQPOZBENLJLBK-WDZFZDKYSA-N	312.329	1.940	50	20	DDGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccn(C)n2)cc1OC	490811569	GIXHQINPTQVDIG-FLIBITNWSA-N	312.329	1.983	50	20	DDGD	
CC[C@H](Cc1cccc(C)c1)C(=O)NNC(=O)c1cn[nH]c1	824857333	SSRTYUYIPKUREQ-CYBMUJFWSA-N	300.362	1.748	50	20	DDGD	
C=Cc1ccc(CCNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	826841595	WWASWXNKSWWKKO-DOMZBBRYSA-N	317.389	1.628	50	20	DDGD	
C#CC(C)(C)N(C)CC(=O)NNC(=O)c1cccc(Cl)c1	491210205	REEVZTRDTAIMGF-UHFFFAOYSA-N	307.781	1.445	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H](C=NNC(=O)C(F)F)CC(F)F	496349545	URTHAXHHUOQFBJ-LURJTMIESA-N	315.267	1.902	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=S)NCC(=O)NC(C)C	727274845	GHOZJSFFZOYIMN-UHFFFAOYSA-N	323.422	1.020	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)c1cccc2ncccc12	491764648	DNOYBJCFPFGENJ-UHFFFAOYSA-N	303.325	1.828	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cn2cc(Cl)cc(Cl)c2n1	823928669	QFJSNJXXCQEDDH-SSDOTTSWSA-N	317.176	1.599	50	20	DDGD	
CO[C@]1(CNC(=O)/C(C#N)=C/c2ccc(O)cc2)CCOC1	491051552	SPBGPUZUNPRENP-OIQJVACTSA-N	302.330	1.221	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)/C=C/C3CCCC3)nc21	493135308	BLXQXKQBBLDSLA-VOTSOKGWSA-N	302.338	1.258	50	20	DDGD	
C[C@H]1OC(=O)N[C@@H]1C(=O)NNc1ccccc1OC(F)(F)F	497054020	LPIKLYMUUYWVMP-MUWHJKNJSA-N	319.239	1.525	50	20	DDGD	
CCOC(=O)[C@H](C)[C@H](C)NC(=O)[C@]1(C)C[C@H]1Br	907347431	GAIFFHGSRTZLLC-JXVAYASWSA-N	306.200	1.864	50	20	DDGD	
O=C(CC1(O)CCCC1)NNc1cccc(-c2nn[nH]n2)c1	826403867	GMKZSFRWLREIHD-UHFFFAOYSA-N	302.338	1.005	50	20	DDGD	
CCn1nc(C2CC2)cc1C(=O)NNC(=O)NCC(F)(F)F	907966461	BFONCWOFKULQMS-UHFFFAOYSA-N	319.287	1.287	50	20	DDGD	
CCN1C[C@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)CC1=O	490977726	URDBDURAHQQYAX-YRBHFNIASA-N	301.321	1.470	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCC[C@@H]2Cc2ccccn2)cc1	585047604	SGEPUXABNFAWGM-CRAIPNDOSA-N	310.206	1.262	50	20	DDGD	
CCCCNC(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1F	821071944	OHMBXEKIFUACLQ-UHFFFAOYSA-N	305.317	1.439	50	20	DDGD	
C[C@@H]1Cc2cc(C=NNC(=O)N3CCN(C)CC3)ccc2O1	901226768	FHJGZJOZQKGJDC-GFCCVEGCSA-N	302.378	1.301	50	20	DDGD	
Cn1cc(S(=O)(=O)N2CC=C(C#N)CC2)c(C2CCCC2)n1	907105050	QQWIVFMDJQWKFW-UHFFFAOYSA-N	320.418	1.922	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cc(C(=O)O)c(Cl)s1	901259379	RHFIZVYHQROOEK-XPUUQOCRSA-N	316.766	1.975	50	20	DDGD	
Cc1sc(CNC(=O)c2ccc(B(O)O)cc2)nc1C(C)C	584946881	ZUIKHYCRRCQELS-UHFFFAOYSA-N	318.207	1.185	50	20	DDGD	
COCCOc1ccc(C=NNC(=O)Cc2cccnc2)o1	901188208	CZOSMIJBQPXTBT-UHFFFAOYSA-N	303.318	1.393	50	20	DDGD	
CC(C)C[C@H](NC(=O)O)C(=O)NNc1ccc(Cl)nn1	736416791	RALNGVJCAGPDJE-ZETCQYMHSA-N	301.734	1.255	50	20	DDGD	
O=C(c1ccc(F)c(C(F)(F)F)c1)N1CC[C@@H](B(O)O)C1	585070113	WEUFBGPIAFKOKG-MRVPVSSYSA-N	305.036	1.533	50	20	DDGD	
CCCCCCOc1ccc(C(=O)NCB(O)O)cc1OC	585055672	COHZWDZRXCSFJA-UHFFFAOYSA-N	309.171	1.396	50	20	DDGD	
O=C(NN=C1CCN(c2cnccn2)CC1)[C@H]1CCCCO1	834987948	DLINPVBCGSNOIZ-CYBMUJFWSA-N	303.366	1.118	50	20	DDGD	
C[C@]1(C(=O)NCc2nnc(C3CC3)o2)C[C@@H]1Br	907516501	URDUURRYXBWXBY-CPCISQLKSA-N	300.156	1.737	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NC[C@]2(C)CCOC2)c1	733351415	CQXOYASDQJXOGV-INIZCTEOSA-N	320.393	1.123	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)NCCC(=O)O)c1C	739841232	ZNVQCZLCXUWRCU-NTEUORMPSA-N	319.361	1.249	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCc3ccc(F)c(F)c32)cc1	585046128	RFWUVINSUDIVOR-CQSZACIVSA-N	303.117	1.422	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H]1CCCCN1C	732265378	WSYMGUIOQXBEPV-CQSZACIVSA-N	319.405	1.260	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNc1cccc(Br)n1	837212894	VYUIAAZOXZTMOF-HTQZYQBOSA-N	300.156	1.712	50	20	DDGD	
CC(C)Cc1ccc(CC(=O)NNC(=O)c2ncon2)cc1	832825966	NCPPOJJEHAXCNE-UHFFFAOYSA-N	302.334	1.272	50	20	DDGD	
COCCCC[C@@H](NCc1ccc(B(O)O)o1)c1ccccc1	585039118	OOHPGDCIFJTCIF-MRXNPFEDSA-N	317.194	1.607	50	20	DDGD	
CCCN1CCC[C@@H](C(=O)NNC(=O)NC2CCCCC2)C1	905104841	WKEKNLIUHYCTGX-CYBMUJFWSA-N	310.442	1.772	50	20	DDGD	
O=S(=O)(CCl)N1CCN(c2cc(F)ccc2F)CC1	830803297	KUXWSFWUZWWVLC-UHFFFAOYSA-N	310.753	1.613	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@@H]1CCc2cc(F)ccc21	836252505	NOECMDVPHYZLHK-KGLIPLIRSA-N	321.352	1.713	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)[C@@H](C)N1CCN(C)CC1	836933267	CBIVABXEQJYAHP-GFCCVEGCSA-N	310.829	1.727	50	20	DDGD	
OB(O)[C@@H]1CCN(Cc2cn(-c3ccc(F)cc3Cl)nn2)C1	585078154	ZQPJHRVWBCCPLE-SECBINFHSA-N	324.552	1.109	50	20	DDGD	
Cn1nc(C(=O)NN=Cc2cccnc2)c2ccccc2c1=O	916316522	WXGMVFQJYKHKIW-UHFFFAOYSA-N	307.313	1.092	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1nc2ccccc2nc1C	834963327	OJFJBYRROYWLDK-GFCCVEGCSA-N	316.361	1.440	50	20	DDGD	
Cn1c(CC(=O)NN=C2CN3CCC2CC3)nc2ccccc21	915047974	LXVBYNHPHMCQKV-UHFFFAOYSA-N	311.389	1.314	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C2CCCC2)cc2c1OCCO2	914843694	UPVFUPGWUGWJQU-UHFFFAOYSA-N	320.345	1.418	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc[nH]2)c(OC)c1OC	747654392	IGKDCAKSMQBZPF-UHFFFAOYSA-N	319.317	1.115	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC12CCCC2)c1ccc2c(c1)OCO2	747348879	UVVHXBVGXRPASA-LLVKDONJSA-N	302.330	1.757	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(C)cc2O)c(O)c1	918338801	MPRDFZSTQZMXGG-UHFFFAOYSA-N	316.313	1.490	50	20	DDGD	
O=C1CSc2ccc(C(=O)NNC(=O)c3ccc[nH]3)cc2N1	747663076	JPBCVGFQBIRUTB-UHFFFAOYSA-N	316.342	1.134	50	20	DDGD	
NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1cccc(Br)c1	847599965	XUZJZVAXIUXISD-UWVGGRQHSA-N	312.167	1.404	50	20	DDGD	
CC(C)c1ncncc1C(=O)NNC(=O)c1ccccc1F	916034495	NSRWHXOPFDUMRW-UHFFFAOYSA-N	302.309	1.814	50	20	DDGD	
CCn1nc(C(=O)NN=Cc2ccccn2)c2ccccc2c1=O	916321530	OBDJLUZLPBNHFC-UHFFFAOYSA-N	321.340	1.575	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@@H]1CC[C@H]2CNC[C@@H]2C1	842013234	GOQWKCSZYCQXOW-SDDRHHMPSA-N	320.368	1.158	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CSc1nccn1C(C)(C)C	910166656	ZTCCJOCUGZDTLL-JTQLQIEISA-N	300.428	1.074	50	20	DDGD	
COc1ccc(S(=O)(=O)NCCCSC#N)c(C)c1	916973000	VDULEZBGLAXDHR-UHFFFAOYSA-N	300.405	1.886	50	20	DDGD	
C[C@@H](Cc1cnc[nH]1)C(=O)NNC(=O)CCc1ccccc1	847417089	VPRHHOHVJYIFGZ-LBPRGKRZSA-N	300.362	1.369	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccccc1F	843654566	GEVNZLSICULRTO-UVWXRNBGSA-N	324.352	1.260	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(C(F)(F)F)o1	843655437	JTYWIZPYKVRIGJ-HTQZYQBOSA-N	320.267	1.793	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H](C)CN2CCCCCC2)nn1C	841614764	QNMRADKSYBFETF-ZDUSSCGKSA-N	305.426	1.691	50	20	DDGD	
CN1CCC[C@@H]1C(=O)NNC(=O)Cc1cccc2ccccc12	748526469	HUEUZAZNKPXDPA-MRXNPFEDSA-N	311.385	1.624	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)C1CCC(OC[C@@H]2CCCO2)CC1	910145566	VLQBMFSLWXTPCM-PPWQZUPISA-N	314.426	1.085	50	20	DDGD	
CC(C)(CO)C(=O)NNC(=O)c1ccc(Br)s1	847291942	YVAUXAUMUXYXCB-UHFFFAOYSA-N	321.196	1.290	50	20	DDGD	
CC(C)(C)n1cc(C(=O)C(=O)NNC(=O)CC2CCCC2)cn1	749940833	QVPLRLNGQGKCQU-UHFFFAOYSA-N	320.393	1.549	50	20	DDGD	
CSSCCNC(=O)NCc1cc(=O)n2ccccc2n1	845179071	BZWCPXHQQZNRBC-UHFFFAOYSA-N	324.431	1.505	50	20	DDGD	
O=C(NNC(=O)c1ncccn1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21	841594019	PHHDDBHGBCVILK-NJMOYASZSA-N	315.377	1.245	50	20	DDGD	
Cc1c(F)cccc1S(=O)(=O)NNC(=O)c1ccccn1	743249125	IWGHXKVEULNKBO-UHFFFAOYSA-N	309.322	1.152	50	20	DDGD	
C=CCn1cc(C(=O)NN(CCC)C(=O)OC(C)(C)C)nn1	843884397	BSEGXFBUOIBWGM-UHFFFAOYSA-N	309.370	1.756	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=CCCc1ccc2c(c1)OCCO2	842551002	BEMFAGOIDRCHMV-TZMCWYRMSA-N	318.373	1.917	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1[C@@H]2CCCO[C@H]2C1(C)C	743442364	ZDJWOHSEVXGQMP-WCQYABFASA-N	309.410	1.598	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1c[nH]cc1-c1ccccc1	843973396	LBSFRRDZBSKQBK-AAEUAGOBSA-N	313.357	1.868	50	20	DDGD	
CC(C)[C@H](N)CNC(=O)NNc1cccc(Br)n1	841944634	NDJMUKKVGQZSOI-MRVPVSSYSA-N	316.203	1.454	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cnc3n2[C@H](C)CCC3)n1	845701064	WNOZWWGOOFTUJI-SNVBAGLBSA-N	316.365	1.644	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H](C)CC2(C)OCCO2)nn1	758853575	LNEIMVZNZXFFGA-SNVBAGLBSA-N	309.370	1.200	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCCc2c[nH]nc2C)c1	858275682	KZFFOAMBXYIJMK-UHFFFAOYSA-N	321.406	1.665	50	20	DDGD	
CC[C@H](CC(=O)NNc1cnnn1C)c1ccc(OC)cc1	857273399	OXGKBXQQMKHPLG-LLVKDONJSA-N	303.366	1.851	50	20	DDGD	
CO[C@H](C(=O)NNC(=S)NCC1CCC1)c1ccccc1	855090287	DVSKKWPFQAEKMQ-ZDUSSCGKSA-N	307.419	1.670	50	20	DDGD	
CCCN(C)C[C@@H]1CCN(C(=O)NNC(=O)C2CCCC2)C1	753339331	JKLZPUYYZUMTJL-ZDUSSCGKSA-N	310.442	1.581	50	20	DDGD	
O=C(NCCc1nc2c(s1)CCC2)NNC(=O)C1CCC1	926575959	AHZIYBVXNBEXNX-UHFFFAOYSA-N	308.407	1.305	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2c[nH]nc2-c2ccccc2F)cn1	755732388	FRDWFTDQDJMEFY-UHFFFAOYSA-N	312.308	1.713	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCC[C@H](C)N)c2ccccc2n1	857113781	CDROSVOGJFJVPQ-JTQLQIEISA-N	315.377	1.225	50	20	DDGD	
COC(=O)C1(CNC(=O)NNc2ccc(F)cn2)CCCC1	752021836	VJYVHEAKRUXDMA-UHFFFAOYSA-N	310.329	1.580	50	20	DDGD	
CC[C@H](CN1CCOCC1)NC(=O)NNc1cc(F)ccc1C	925605810	IVFCPIQXFKXMRT-CQSZACIVSA-N	324.400	1.871	50	20	DDGD	
Cn1[nH]c(CN2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)nc1=O	852524998	REOHREIBCLWJSJ-LLVKDONJSA-N	312.490	1.705	50	20	DDGD	
CN(C)[C@@H](C(=O)NNc1ccnc(Cl)c1)c1cncn1C	855466086	GLGKNKCLDNMPAK-GFCCVEGCSA-N	308.773	1.215	50	20	DDGD	
CC1(C)CCN[C@@H]1C(=O)NNc1ncc(Br)cn1	852896560	DTIIXBXNYBBNRJ-MRVPVSSYSA-N	314.187	1.070	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)OCC(F)(F)F)cc1	856026687	HQVHYYYBGWWCFG-UHFFFAOYSA-N	320.267	1.948	50	20	DDGD	
CCCC[C@@](C)(F)C(=O)NNC(=O)c1cncc(NC(C)=O)c1	857158065	LWWKZQVLJORLJF-OAHLLOKOSA-N	324.356	1.719	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNc1ccnc(Cl)c1	855468546	AMNMSEIOQTUKHH-LLVKDONJSA-N	310.785	1.969	50	20	DDGD	
CCCNC(=O)NNC(=O)c1[nH]c(-c2ccccc2)nc1C	921038151	GVMLSSQNCMIOAZ-UHFFFAOYSA-N	301.350	1.739	50	20	DDGD	
CCOCC(C)(C)CNC(=O)NNC(=O)c1cccc(F)n1	852345088	ZWCLMNFLMTXLEW-UHFFFAOYSA-N	312.345	1.227	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@H]1CSCCS1	855090857	SLXLUMDGKJXUIL-SECBINFHSA-N	305.494	1.130	50	20	DDGD	
CNC(=O)NNC(=O)c1cccc2[nH]c(-c3cccs3)nc12	758805037	QWYVEBDNAZSFMC-UHFFFAOYSA-N	315.358	1.865	50	20	DDGD	
O=C(CCC[C@@H](O)c1ccccc1)NNc1ncncc1F	854609135	LCKATKXOJLBUGT-CYBMUJFWSA-N	304.325	1.963	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@H]1CCCS1	756936218	DPUYQBVLOWDKCF-SNVBAGLBSA-N	309.391	1.535	50	20	DDGD	
CN(C(=O)OC(C)(C)C)C1(C(=O)NNC(=O)C2CC2)CCC1	858122096	PQSOVAXVYRCFRQ-UHFFFAOYSA-N	311.382	1.333	50	20	DDGD	
C#CCSCCNC(=O)NC[C@@]1(C)C[C@@H]1Br	856836471	OGTIPYPJCCIRDY-GXSJLCMTSA-N	305.241	1.826	50	20	DDGD	
CC(C)(C(=O)NC[C@@]1(C)C[C@@H]1Br)N1CCOCC1	857391058	KUEWVRJGDFXVTD-GXFFZTMASA-N	319.243	1.387	50	20	DDGD	
CCCC[C@@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C(C)C	856744085	GCGGRHFOJXUGPW-NWDGAFQWSA-N	318.439	1.031	50	20	DDGD	
O=C(CC[C@H]1CCCNC1)NNc1nc(-c2cccnc2)no1	857003253	UGCAKGFIGBYIBC-LLVKDONJSA-N	316.365	1.355	50	20	DDGD	
CC[C@@H]1CN(C(=O)NC[C@]2(C)C[C@H]2Br)CCO1	856900393	VSLCRJGGFLKRSX-FOGDFJRCSA-N	305.216	1.980	50	20	DDGD	
CC[C@@H]1COCC1=NNC(=O)c1cccc(S(C)(=O)=O)c1	853290077	TXJVBTNEBDMHKF-SNVBAGLBSA-N	310.375	1.232	50	20	DDGD	
O=C(NNc1ccncn1)c1ccc(N2CCOCC2)c(F)c1	857520737	LHRFHYHBVLNFGB-UHFFFAOYSA-N	317.324	1.209	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)C(=O)NNC(=O)c1cccc(Cl)n1	857323336	JFWVQYIWSZMZGS-ZETCQYMHSA-N	321.768	1.640	50	20	DDGD	
O=C(CSC[C@@H]1CCCCO1)NNc1ncc(Cl)cn1	857356681	TYRGJHVELOCHCZ-JTQLQIEISA-N	316.814	1.875	50	20	DDGD	
CCC(=O)N1CCC(=NNC(=O)c2cccc(Cl)n2)CC1	853411624	PELJZEMOKUHEAE-UHFFFAOYSA-N	308.769	1.853	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=S)NCCc1cccs1	750302560	INTVSWGCLXEXTJ-UHFFFAOYSA-N	320.443	1.803	50	20	DDGD	
CCn1ccnc1C=NNC(=O)[C@H]1COc2ccccc2O1	755485241	XLRKYHMYJAPLPJ-CYBMUJFWSA-N	300.318	1.193	50	20	DDGD	
CCOC(=O)NNC(=O)CN(C(=O)OC(C)(C)C)C(C)C	854163259	NTHKLPSJLCRPDY-UHFFFAOYSA-N	303.359	1.409	50	20	DDGD	
CO[C@@H]1CCC[C@H](CC(=O)NNC(=O)Cc2cc(C)[nH]n2)C1	869016794	QPNQSKXFENIMAX-WCQYABFASA-N	308.382	1.003	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NC1Cc2ccccc2C1	763153132	ZLKAPEFJVOJKOM-UHFFFAOYSA-N	301.268	1.437	50	20	DDGD	
COc1cc(C)ccc1NC(=O)C(=O)NNC(=O)CC(C)(C)C	764197976	AAQOITKUTCCIBZ-UHFFFAOYSA-N	321.377	1.526	50	20	DDGD	
O=C(c1ccc2c(c1)-c1ccccc1C2)N1CC[C@H](B(O)O)C1	864233978	LQURJUDQDHLORT-HNNXBMFYSA-N	307.158	1.947	50	20	DDGD	
COCCOCC(=O)NNC(=O)/C=C/c1cc(C)c(C)cc1C	869901207	PCGQRMGUDPSAOE-AATRIKPKSA-N	320.389	1.435	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)Cc2cc(C)[nH]n2)[C@H](C)C1	761251386	CMZAVYXNUYUEDS-PWSUYJOCSA-N	320.393	1.732	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCc2nc3ccccc3o2)n[nH]1	765585571	ADNKRYYBDICFAL-UHFFFAOYSA-N	313.317	1.253	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NN=c1cc[nH]cc1	860675565	CSKRPHJYBXEPGM-NSHDSACASA-N	308.382	1.592	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H](C)CNC(=O)OC(C)(C)C)n1	862520177	JPPYRRKBLCMVHG-JTQLQIEISA-N	308.382	1.994	50	20	DDGD	
CNc1ccc(C(=O)NN[C@H](C)C(F)(F)F)cc1[N+](=O)[O-]	862304375	NIMIAOMSCKNVNO-ZCFIWIBFSA-N	306.244	1.822	50	20	DDGD	
CN1CCC[C@@H](OC(=O)[C@@H](Br)C(C)(C)C)C1=O	766752743	SXOYCDMMVMJECA-RKDXNWHRSA-N	306.200	1.960	50	20	DDGD	
Cn1ccc(CNC(=O)NNc2ncnc3ccsc23)c1	765811591	DXTPUXLINFOSIN-UHFFFAOYSA-N	302.363	1.856	50	20	DDGD	
C[C@H]1[C@@H](C)N(S(=O)(=O)CC(C)(C)CCl)CC[S@@]1=O	866818222	UIQWNFCPUJGPPM-KEYDSSBGSA-N	315.888	1.423	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNC(=O)C(C)C)ccc1OC(C)C	763817685	UEPWUEDUGTWSAI-UHFFFAOYSA-N	321.377	1.524	50	20	DDGD	
C[C@@H]1[C@H](NC(=O)NNc2ccccc2Cl)CCS1(=O)=O	875869161	NINGOWFTGOIXBW-PSASIEDQSA-N	317.798	1.542	50	20	DDGD	
CC(=NNC(=O)C[n+]1ccccc1)c1ccc(C(C)(C)O)cc1	1116886849	RJGSPDBSRMEGTR-UHFFFAOYSA-O	312.393	1.742	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1cnc(C)s1	777900498	PIHZZTOXTQIMCB-UHFFFAOYSA-N	312.395	1.816	50	20	DDGD	
O=C1COc2ncc(C(=O)NNc3c(F)cccc3F)cc2N1	770810813	AFVQUUSFKFXKAC-UHFFFAOYSA-N	320.255	1.448	50	20	DDGD	
CCn1cccc(CNC(=O)NNc2cccc(C)n2)c1=O	875542495	MTTHYGXFXQBHII-UHFFFAOYSA-N	301.350	1.398	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2ccc(N3CCCC3)cc2)CC1	1116760104	FMRHFKGDJYRWOG-UHFFFAOYSA-N	315.421	1.578	50	20	DDGD	
O=C(C[C@H](O)c1ccc(Cl)cc1)NNc1ncc(F)cn1	772838234	TYCOKWIKPPYJBC-NSHDSACASA-N	310.716	1.836	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccn2C)nn1[C@@H](C)C1CC1	776754119	ZCODCKXQLROSBU-NSHDSACASA-N	315.377	1.576	50	20	DDGD	
COC(=O)c1ccccc1CC(=O)NNC(=O)NC1CCCC1	775678017	VQHZHEKPGMOVCZ-UHFFFAOYSA-N	319.361	1.289	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccnnc2C)c2ccccc2n1	1116901150	YVCKNLJFDDTAMA-UHFFFAOYSA-N	321.340	1.716	50	20	DDGD	
Cc1cncc(C(=O)NNc2cccc(S(C)(=O)=O)c2)c1	776526763	QPXOYEJHMTWLPW-UHFFFAOYSA-N	305.359	1.550	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccc3cccnn23)cc1	777791700	NLLVBJGKGMKKFD-UHFFFAOYSA-N	323.356	1.516	50	20	DDGD	
COC(=O)c1cc(OC(=O)[C@@H]2CCO[C@@H]2C)ccc1[N+](=O)[O-]	770732386	BGIWSIACWZUZBC-PSASIEDQSA-N	309.274	1.712	50	20	DDGD	
CC(C)[C@@](C)(O)C(=O)NNc1ccnc(Br)c1	771553827	PWCZUZUOZDPJMT-LLVKDONJSA-N	302.172	1.694	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)c1cccc([C@H]2CCOC2)c1	882057206	QNGOAEDWNBTCDQ-ZDUSSCGKSA-N	312.329	1.055	50	20	DDGD	
CCC[C@@H]1C[C@H](C(=O)NNC(=O)c2cccc(C#N)c2)CCO1	779904088	SHGXQCIGKRHEPN-HUUCEWRRSA-N	315.373	1.915	50	20	DDGD	
CC(=NNC(=O)Cn1cnc2ccccc21)[C@H]1CCCOC1	779760605	ZTLMQURFAOBMMK-ZDUSSCGKSA-N	300.362	1.955	50	20	DDGD	
CN(NC(=O)c1ccc(OCc2cccnc2)cc1)C(N)=O	778415987	XOYSMFFQSSBRCT-UHFFFAOYSA-N	300.318	1.316	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C	887142793	ADIVRUKFAPZAEK-ZDUSSCGKSA-N	321.421	1.365	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)CS(=O)(=O)C1CC1	885127866	GJMVMACOPMWCIU-UHFFFAOYSA-N	302.783	1.669	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NC[C@@H]2CCC=CO2)cc1	780747418	DHSROAORNDHFNL-ZDUSSCGKSA-N	300.318	1.195	50	20	DDGD	
CCSCCC=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1	781121795	MMEPMOMMSBALDX-MCIONIFRSA-N	315.483	1.977	50	20	DDGD	
COCC(=NNC(=O)c1cccc([N+](=O)[O-])c1)C1CCOCC1	780186335	GZNVJPLHZDWSJZ-UHFFFAOYSA-N	321.333	1.754	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)NCC(C)(C)C#N)cc1	781953863	OGXUMDXQWIGKMN-UHFFFAOYSA-N	320.418	1.967	50	20	DDGD	
CCCN(CC)C[C@H](C)NC(=O)NNc1ccc(C#N)cn1	889071605	HIUHKEPMZPNVIF-LBPRGKRZSA-N	304.398	1.700	50	20	DDGD	
Cc1nc(C(C)C)nc(O)c1C(=O)NNc1ncncc1Cl	781829927	IYUQECOIWXFQTM-UHFFFAOYSA-N	322.756	1.814	50	20	DDGD	
COC[C@H](NC(=O)NNc1cc(Cl)ccn1)[C@@H]1CCCO1	789842526	MWLYAPAPTYXIKT-QWRGUYRKSA-N	314.773	1.555	50	20	DDGD	
O=S(=O)(CBr)NC[C@H](O)C1CCCCC1	782453903	BGHLMPKANONUIM-VIFPVBQESA-N	300.218	1.199	50	20	DDGD	
Cc1coc(C)c1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	785681540	BKGAQFSRXYZOOL-ZDUSSCGKSA-N	316.313	1.497	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@]2(OC)CCSC2)c1C	898715078	WCJYDJBWWDCHEN-OAHLLOKOSA-N	324.402	1.747	50	20	DDGD	
O=C(Cc1nnc(O)c2ccccc12)NNc1ccnc(F)c1	781366263	BEQADQXWRCYELT-UHFFFAOYSA-N	313.292	1.555	50	20	DDGD	
CCCO[C@H]1CCCN(S(=O)(=O)CBr)CC1	782434832	MQRJGWKFYPUFOH-JTQLQIEISA-N	314.245	1.950	50	20	DDGD	
COc1ccc(NNC(=O)Nc2ccc(OC)nc2OC)nc1	782037027	WEQNJFYPCWNBLF-UHFFFAOYSA-N	319.321	1.651	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@]2(C)CCCOC2)c1	781143149	SIYOBHIQVFWCHE-QGZVFWFLSA-N	320.389	1.646	50	20	DDGD	
C=CCNC(=S)NNC(=O)C[C@@H](CC#N)c1ccccc1	798124564	ZPMVALSIDHIGIB-CYBMUJFWSA-N	302.403	1.755	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21	899999506	PMVSNERUIHQMQG-JHJVBQTASA-N	303.431	1.866	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2ccsc2)c(O)c1	795300448	NSXSWJRMQPUMKM-UHFFFAOYSA-N	312.372	1.385	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCOC1)c1cc(F)c(F)cc1Cl	792613898	PPFLSPQDDPUWAP-LURJTMIESA-N	304.680	1.416	50	20	DDGD	
Cc1cccc(C(=O)NN=C2Oc3cc(O)cc(C)c3C2=O)n1	794564732	OWPJGXPLEOYGIR-UHFFFAOYSA-N	311.297	1.723	50	20	DDGD	
Cc1ccc(C(=O)N2CC[C@H](B(O)O)C2)c(Br)c1	585064046	BUSIYERDXGVSIZ-VIFPVBQESA-N	311.972	1.446	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cccc(C[S@](C)=O)c1	1317726311	PSSDIPGIDCSCHS-FQEVSTJZSA-N	313.448	1.082	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ncccc1C(F)(F)F	1319842510	NUHQVNGQQRNUPN-UHFFFAOYSA-N	306.313	1.618	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2	1323889534	OVYMCZQYXBACAJ-JTQLQIEISA-N	319.361	1.130	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2ccccc2C)nc1	1321541837	LRPOYBVYCIIZFV-UHFFFAOYSA-N	313.313	1.251	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccc(-c2ccccn2)cc1	1324587221	PGBBHBGDHSHUFW-UHFFFAOYSA-N	300.318	1.284	50	20	DDGD	
O=C(NNc1ncccn1)Nc1cnn(Cc2cccnc2)c1	1324150014	HTRLFOHEMRGYSP-UHFFFAOYSA-N	310.321	1.265	50	20	DDGD	
O=C(NNC(=O)c1cncn1-c1ccccc1)c1cncs1	1324214806	SFURIDOHAPHVFE-UHFFFAOYSA-N	313.342	1.404	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H]1C[C@]12CCc1ccccc12	1322156885	JGMALOFCDIOPAF-CJNGLKHVSA-N	303.431	1.794	50	20	DDGD	
CC[C@@H]1CCCN1C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1328960486	ANOKAEWQZNXRLH-GIPNMCIBSA-N	317.227	1.677	50	20	DDGD	
COC(=O)[C@H](NNC(=O)c1ccc(OC)cc1)c1ccsc1	1256495431	HSWWCVAMXORIKD-CYBMUJFWSA-N	320.370	1.905	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(C)c(Br)c(C)n1	1338325957	MLGXFHBGFMHWSQ-UHFFFAOYSA-N	317.143	1.853	50	20	DDGD	
COC(=O)C(=O)NN=Cc1cc(Cl)ccc1OC(F)F	1339879140	NNQVAFLOLUBBFW-UHFFFAOYSA-N	306.652	1.565	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCCN2CC(C)C)cc1	1335366163	KLCRJINRLBQNMN-OAHLLOKOSA-N	319.405	1.577	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H](C)[C@H]1CCC(=O)N1	1331554448	GSGXBBZDTGYNAE-PSASIEDQSA-N	308.290	1.424	50	20	DDGD	
C[C@H](CCCCN)NC(=O)NNC(=O)c1ccccc1Cl	1345152459	AYOISXHAEBHARR-SNVBAGLBSA-N	312.801	1.802	50	20	DDGD	
C[C@@H]1Nc2ccnn2[C@@H](C)[C@@H]1CCC(=O)NNC(=O)C1CC1	1346073847	YSGRRDCVZBUULS-JBLDHEPKSA-N	305.382	1.212	50	20	DDGD	
Cc1cnn(C)c1C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1600635313	JXKHBFMXSJPUNQ-UHFFFAOYSA-N	305.246	1.554	50	20	DDGD	
O=C(O)C[C@H](CNC(=O)NNc1ccc(Cl)nc1)C1CC1	1601891466	KOVGMMJZWTWYBO-SECBINFHSA-N	312.757	1.862	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1cccc(C(=O)O)c1	1601553777	URCPGJBTZJOFEH-LLVKDONJSA-N	307.306	1.107	50	20	DDGD	
O=C(NNc1cc(Cl)nc(Cl)c1)[C@H]1CC[C@H]1C(=O)O	1601554235	RRYOTXHJYJXBDP-NKWVEPMBSA-N	304.133	1.942	50	20	DDGD	
C[C@@](CC(=O)O)(NS(=O)(=O)CCl)c1cccc(F)c1	1604089116	AFRXCILZAKKBEJ-NSHDSACASA-N	309.746	1.631	50	20	DDGD	
O=C(O)CCc1ccccc1C(=O)NNC(=O)c1ccccn1	1608740698	NDTFAUOLQGOWLI-UHFFFAOYSA-N	313.313	1.174	50	20	DDGD	
C[C@]1(CCC(=O)NNc2cccc(C(=O)O)c2F)CCC(=O)N1	1604570222	ARDFUJDSTLJIMR-OAHLLOKOSA-N	323.324	1.416	50	20	DDGD	
Cc1nnc2ccc(C(=O)NNc3ccccc3C(=O)O)cn12	1608017312	SHPVPJQXVPZBSJ-UHFFFAOYSA-N	311.301	1.493	50	20	DDGD	
N#Cc1cc(F)c(C(=O)NNc2ccc(C(=O)O)cn2)c(F)c1	1601088450	VJZAWTPIJMBQHQ-UHFFFAOYSA-N	318.239	1.687	50	20	DDGD	
Cc1ccc(COCC(=O)NNc2ncccc2C(=O)O)cc1	1605277456	GZJNDVMYVDQJMM-UHFFFAOYSA-N	315.329	1.748	50	20	DDGD	
O=C(NN=C1C[C@H]2C[C@@H](C(=O)O)[C@H]1C2)c1ccc(Cl)nc1	1610699338	TVZWSGYRPUBGGC-SZEHBUNVSA-N	307.737	1.952	50	20	DDGD	
O=C(NNC(=O)C(=O)O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1	1610698997	AGZXRLUONWNTRR-CZMCAQCFSA-N	311.725	1.001	50	20	DDGD	
COc1cc(C)sc1C(=O)NNc1ccc(C(=O)O)cn1	1610291691	OLGVVHAALKWTFR-UHFFFAOYSA-N	307.331	1.915	50	20	DDGD	
O=C(CCc1cncnc1)NNc1ccc(C(=O)O)c(Cl)c1	1610661096	PYEBYHRDPDKGCX-UHFFFAOYSA-N	320.736	1.904	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(N)ccc2Cl)nc1	1578872745	AXZJRAFFTUGHGN-UHFFFAOYSA-N	320.736	1.861	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)c1ccc(-c2cnn[nH]2)nc1	1578014603	GAEOELYYURACMC-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
O=C(NNc1cc(O)nc2ncccc12)[C@@H]1C[C@@]12CCCNC2	1580737293	NDJOJHCLUXQEID-MEDUHNTESA-N	313.361	1.168	50	20	DDGD	
CC1(C)C[C@]1(C(=O)O)C(=O)NNc1nccnc1C1CCC1	1589220240	ZDTKQEMVSDQKMT-OAHLLOKOSA-N	304.350	1.688	50	20	DDGD	
O=C(NNc1ccc(Br)nc1)[C@@H]1[C@H]2CCNC[C@H]21	1580737011	GVKOAQWSEJMILA-IQJOONFLSA-N	311.183	1.143	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](Cc1cccc(OC)c1)C(=O)O	1596864279	UTBFBBXJLNSBBE-HCYCVZQXSA-N	318.329	1.251	50	20	DDGD	
CCc1ccc(NNC(=O)Nc2nn(C)cc2C(=O)O)cc1	1597552090	RTWLYAXVQKKHCK-UHFFFAOYSA-N	303.322	1.829	50	20	DDGD	
C[C@@H]1C[C@@H]2C[C@H]2C[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1590223199	ORISOTNFZJHKOG-WUWHUORYSA-N	312.377	1.992	50	20	DDGD	
O=C(Cc1ccccc1C(=O)O)NNC(=O)Nc1ccccc1	1594709690	HBPUZVQPMXWFGV-UHFFFAOYSA-N	313.313	1.780	50	20	DDGD	
O=C(NNC(=O)[C@]1(C(=O)O)CC=CCC1)Nc1ccccc1	1594778833	BEXMYFRLOIBEMJ-HNNXBMFYSA-N	303.318	1.650	50	20	DDGD	
CO[C@@](C)(C(=O)O)C(=O)NNc1cc(C(F)(F)F)ccn1	1593926761	MZRWGUJNFDPTCV-SNVBAGLBSA-N	307.228	1.033	50	20	DDGD	
C[C@H]1CCC[C@@H](NC(=O)NNc2ccc(-c3nn[nH]n3)cn2)C1	1590243597	LMCCAOCGWVQWHC-GXSJLCMTSA-N	316.369	1.467	50	20	DDGD	
CC[C@@H]1CCC[C@@]1(C)C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1590506086	CMOSRXZMQOIKOO-IAQYHMDHSA-N	315.381	1.921	50	20	DDGD	
O=C(O)CC1(C(=O)NNc2nc3ccncc3s2)CCC1	1594976354	NWLCFRBGDHAPIN-UHFFFAOYSA-N	306.347	1.779	50	20	DDGD	
COc1ccc(NCC(=O)NN=Cc2ccc(C(=O)O)o2)cc1	1599597815	ZVRORUPPNDIYEE-UHFFFAOYSA-N	317.301	1.549	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H](C(=O)O)C(C)(C)C)cc1	1593635486	SIUHTGAHYMOASO-GFCCVEGCSA-N	306.362	1.757	50	20	DDGD	
O=Cc1ccc(/C=C\C(=O)NNc2ncccc2C(=O)O)cc1	1595296478	AZSWJNSQSKNTPB-FPLPWBNLSA-N	311.297	1.749	50	20	DDGD	
O=C(NNc1nc2cccnc2s1)[C@H]1CC[C@@H](C(=O)O)C1	1594782034	OWYOROLJHUNWIZ-JGVFFNPUSA-N	306.347	1.635	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@H]1[C@H]2OCCC[C@@H]21	1599376575	VQQXHYZXRZCQOM-WQAKAFBOSA-N	306.318	1.262	50	20	DDGD	
O=C(O)CCC(=O)NNc1cc(Br)ccc1F	1594996653	FOLVIBPKLWJXIB-UHFFFAOYSA-N	305.103	1.896	50	20	DDGD	
COC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(F)F	1795561237	FPWFKDUDVOLWQK-JXUBOQSCSA-N	324.755	1.144	50	20	DDGD	
COCCOc1cccc(CC(=O)NNC(=O)c2ccc[nH]2)c1	161376412	XGFJLHVWKCSTNT-UHFFFAOYSA-N	317.345	1.044	50	20	DDGD	
C[C@@H](Sc1nncn1C)C(=O)NNc1ccc(F)cc1F	158104807	JQGXWHUMHMEYCC-SSDOTTSWSA-N	313.333	1.717	50	20	DDGD	
CC(C)CC(=O)NCCC(=O)NNc1ccccc1[N+](=O)[O-]	158230415	RDJRARTWBBNNGA-UHFFFAOYSA-N	308.338	1.590	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N2CC[C@]3(CCOC3)C2)cc1	158945460	PWOAFOPPIDQQSY-INIZCTEOSA-N	314.345	1.025	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCc2ccncc2C)s1	163933956	BOIXLGWHDAIGGU-UHFFFAOYSA-N	318.402	1.947	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccc[nH]1)c1cccc(F)c1F	165853982	OCGBXBPURJFSLY-MRVPVSSYSA-N	308.288	1.998	50	20	DDGD	
CCCN(CCC)CCCC(=O)NNC(=O)c1cc(C)n[nH]1	151205985	OXFNGODFIIAHMQ-UHFFFAOYSA-N	309.414	1.381	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H](C(C)C)N2CCCC2=O)c1	157109961	PCANNGFMERPXFT-OAHLLOKOSA-N	323.368	1.924	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H](C)Cc2ccccc2F)n1	155899037	YNYGOUUJBIZWOI-SNVBAGLBSA-N	304.325	1.946	50	20	DDGD	
CC[C@H](OC1CCCCC1)C(=O)NNC(=O)c1cccn1C	159295323	IFJCHNONAJRKEJ-AWEZNQCLSA-N	307.394	1.914	50	20	DDGD	
C[C@@H](Br)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1	1857776815	WCKKPAIWXWSXCQ-SECBINFHSA-N	321.215	1.849	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@H]1CNS(=O)(=O)CCl	830429595	YZNKBBSJUKTRNZ-VIFPVBQESA-N	312.819	1.502	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1OC	7748546	XESSAVWKKMGBSA-KPKJPENVSA-N	302.330	1.922	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(C=O)[nH]2)c1	174942205	MCPJRBABPNOIFS-UHFFFAOYSA-N	315.329	1.284	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNC(=O)Cc2cc[nH]n2)s1	106451876	YOTXLKUHWDDIFC-UHFFFAOYSA-N	307.379	1.167	50	20	DDGD	
O=C(NNc1ncccn1)[C@H]1CC(c2cccc(F)c2)=NO1	56654572	YRFXZTZMSHMHMJ-GFCCVEGCSA-N	301.281	1.252	50	20	DDGD	
Cc1nn(C)c(C)c1CC(=O)NNc1ccc(C(C)(C)C)nn1	118526106	SZCPRXTVVKTCFN-UHFFFAOYSA-N	316.409	1.810	50	20	DDGD	
O=S(=O)(CCl)NC[C@@H](c1ccccc1)N1CCCC1	111002563	SYUHIQWMFCYGTC-ZDUSSCGKSA-N	302.827	1.939	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCC(=O)OC(C)C)cc(C#N)n1C	104434601	FHVXVQPECFAFML-ACAGNQJTSA-N	314.345	1.180	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1Cc1ccccc1)c1cccnc1	50025275	XDQJUEQBVMMLPW-INIZCTEOSA-N	324.384	1.507	50	20	DDGD	
COc1ccc(C(=O)CCC(=O)NNc2cnccn2)cc1F	176148690	ZTTLZYGCSAHLHD-UHFFFAOYSA-N	318.308	1.731	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc(C)cc1)C[C@@H]1CCCO1	114726731	MVSPBVFOLKFAPP-HNNXBMFYSA-N	319.405	1.257	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)/C=C/c1cnn(C)c1)c1ccccc1	110338434	RZSKEGFRTRRJBY-BOLDSZDNSA-N	312.373	1.775	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)C[C@H](C)C1CC1	68009415	GNSPGSDDWZFEAL-JTQLQIEISA-N	300.362	1.840	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)Cc1ccc(F)cc1)c1ccccc1	61223462	WOSMVULQCVJHHC-MRXNPFEDSA-N	316.332	1.903	50	20	DDGD	
CCCCS[C@@H](C)C(=O)NNC(=O)NCC(F)(F)F	60411184	QPPOLUUTTAJXOU-ZETCQYMHSA-N	301.334	1.801	50	20	DDGD	
Cn1/c(=N\NC(=O)C[C@H]2COC(=O)C2)sc2ccccc21	178451066	GWYBFEQRBDBMCX-LAZURVMCSA-N	305.359	1.125	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NCc2cccnc2)nn1	118460746	TYRDYZBPCKQKBJ-UHFFFAOYSA-N	300.366	1.995	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC(C)(C)c1ccccc1C	66702593	CMHPDTACZPZMRZ-UHFFFAOYSA-N	307.394	1.640	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	64426831	DXQVQDZIXFNGEG-UHFFFAOYSA-N	316.402	1.422	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NC[C@@H]1C[C@@H]2CC[C@@H]1C2	170881608	WSORPAMOWBOVSY-BNOWGMLFSA-N	302.378	1.391	50	20	DDGD	
COC1CN(S(=O)(=O)c2ccc(CCCCl)cc2)C1	312117150	QZYIKJCZBYHWEV-UHFFFAOYSA-N	303.811	1.877	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc2[nH]c(C)cc2c1	124683307	IJYKCTRYVYLUCL-VIFPVBQESA-N	316.361	1.608	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)Cc2ccccc2F)CCCO1	126442737	HYCKMEOOYRACNY-OAHLLOKOSA-N	309.341	1.268	50	20	DDGD	
Cc1ccc(CCC(=O)NCC(=O)NNc2ccncc2)cc1	180515563	RNNOFCCKXOIWEH-UHFFFAOYSA-N	312.373	1.582	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1cc2c(cc1F)NC(=O)CC2	120428355	NDHJABANBQXAAV-UHFFFAOYSA-N	322.340	1.909	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cc(F)c(F)cc1F	128725856	GOHZGHWXDHOCCE-UHFFFAOYSA-N	315.173	1.610	50	20	DDGD	
CC(C)NC(=O)N1CCC[C@H]1C(=O)NNc1ccc(F)cc1	120089666	MCAAILHCMCMQKN-ZDUSSCGKSA-N	308.357	1.851	50	20	DDGD	
COC(=O)c1[nH]c(C)c(C(=O)NNc2ccnc(F)c2)c1C	182423700	JGNIDZLIWHYQNN-UHFFFAOYSA-N	306.297	1.709	50	20	DDGD	
CC(C)COC[C@H](O)CNC(=O)/C(C#N)=C\c1ccc(F)cc1	183566987	PBXOWPINLNVVBD-ACQAZONXSA-N	320.364	1.882	50	20	DDGD	
CCOCc1cccc(NC(=O)C(=O)NNc2ccccn2)c1	181405439	FAZPOKUHUQBJOV-UHFFFAOYSA-N	314.345	1.700	50	20	DDGD	
CC(C)(C)OCC(=O)NNC(=O)c1ccc2ccccc2n1	181123658	SKBJUEJXZBYPPV-UHFFFAOYSA-N	301.346	1.811	50	20	DDGD	
CN(NC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)C(N)=O	181088711	PUFMHKNURRSZAT-VHSXEESVSA-N	301.268	1.851	50	20	DDGD	
Cc1ccnc(O)c1C(=O)NNC(=O)Cn1ccc2ccccc21	181046467	PTXIEYGXMBNUHC-UHFFFAOYSA-N	324.340	1.512	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc3c(c2)CCO3)c(O)c1	130083008	BMAHXFDOPZGMDZ-UHFFFAOYSA-N	312.325	1.710	50	20	DDGD	
N[C@H](CNS(=O)(=O)c1ccc(CCCCl)cc1)C1CC1	194732550	HSUQYTVQNLYTPH-CQSZACIVSA-N	316.854	1.874	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cc1ccc(F)cc1F)C1CC1	88280849	LHALGBLBRNXBEY-QMMMGPOBSA-N	313.373	1.801	50	20	DDGD	
CCC[C@H]1C(=O)NCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	194823951	BSTIKKCPXRBIDV-WVUXNXBLSA-N	313.357	1.426	50	20	DDGD	
COCCn1nc(C)c(NS(=O)(=O)CCCCCl)c1C	190792544	CMWNCLXIQGXXNY-UHFFFAOYSA-N	323.846	1.907	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccnc2S)c(O)c1	80388061	HRAIORHGRUFQRY-UHFFFAOYSA-N	303.343	1.459	50	20	DDGD	
CC[C@@H](C)NC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O	42844767	SUCYINLRMPWGPA-SNVBAGLBSA-N	317.349	1.320	50	20	DDGD	
Cc1c(Cl)cccc1C(=O)NNC(=O)C(=O)N1CCCC1	192864726	NFRZFFAIDGEXJJ-UHFFFAOYSA-N	309.753	1.032	50	20	DDGD	
CN(C)C(=O)NNC(=O)CCOc1ccc(F)cc1Cl	194916752	SCTJYHXWFFPIPH-UHFFFAOYSA-N	303.721	1.550	50	20	DDGD	
C[C@@H](OC[C@H]1CCCO1)C(=O)NNC(=O)c1ccccc1F	146307386	KUZAWIZOBBDQLC-GHMZBOCLSA-N	310.325	1.171	50	20	DDGD	
Cc1c(NNC(=O)CN2CCCCCC2=O)cccc1[N+](=O)[O-]	269604392	LQNBWOOUQQSVJG-UHFFFAOYSA-N	320.349	1.749	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cccc(N(C)C)c1)N(CC)CC	265466208	YPGUDNXIGPXMJN-HNNXBMFYSA-N	320.437	1.634	50	20	DDGD	
CCN(CCO)S(=O)(=O)c1ccc(CCCCl)cc1	269733381	RVCSXFXRLXQSBI-UHFFFAOYSA-N	305.827	1.861	50	20	DDGD	
O=C(CSC[C@H]1CCCCO1)NNC(=O)c1ccccn1	263832250	CPMJVKSEVDSLNJ-LLVKDONJSA-N	309.391	1.145	50	20	DDGD	
Cc1nnc(-c2ccc(C(=O)NNC(=O)CC(C)C)cc2)o1	266843777	QANRZQNEBRPQNH-UHFFFAOYSA-N	302.334	1.852	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COCc2ccccc2)c(C)n1C	265673722	IXFCVMNCXCGKCB-UHFFFAOYSA-N	315.373	1.620	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCC[C@](C)(O)c1ccccc1	275041841	MQGUTOCHJUZZQM-INIZCTEOSA-N	307.394	1.661	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccccc1S(C)(=O)=O	276967700	ZQFNDUGJPVPFJH-UHFFFAOYSA-N	314.363	1.260	50	20	DDGD	
COc1ccc(OC(C)C)c(NC(=O)NNC(=O)CN(C)C)c1	273884835	AICWLBMCQOEMTR-UHFFFAOYSA-N	324.381	1.197	50	20	DDGD	
COC(C)(C)CC(=O)NNC(=O)Cc1nc2ccccc2n1C	278838181	RHIBVSLHLBTARM-UHFFFAOYSA-N	318.377	1.078	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(-c2ccco2)nc1C	271250046	DUNYMDCLMQIXJI-UHFFFAOYSA-N	302.334	1.956	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCCO3)cn1	208454937	IALNRZJNHYOHSS-SDQBBNPISA-N	310.313	1.737	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNc2ccc(-n3ccnc3)nn2)O1	278630048	NAEWEWVWOGHWCS-QWRGUYRKSA-N	302.338	1.063	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@H](C)c2ncon2)cc(C#N)n1C	272146520	FNNRYGYVZYXKJI-DZRKTEMMSA-N	310.317	1.373	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccn(C(C)C)n1	288067088	UCDDBVSGPBEDCD-UHFFFAOYSA-N	312.370	1.014	50	20	DDGD	
COCCc1ccnc(NC(=O)NNc2nccc(OC)n2)c1	287203245	DVKDRAFZRLSKDO-UHFFFAOYSA-N	318.337	1.218	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@H]2CCCN2C)c(Cl)c1	283619347	AMEYYOURNUJKQE-GFCCVEGCSA-N	310.785	1.895	50	20	DDGD	
COCCN(C)NC(=O)[C@H](c1ccccc1)N1CCCCC1=O	288471010	KNGFWTGVGGFZHP-INIZCTEOSA-N	319.405	1.350	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1	286388618	OPHKJFQMYMXSQE-JTQLQIEISA-N	320.267	1.338	50	20	DDGD	
CC1CCC(OCC(=O)NNC(=O)c2ccccc2O)CC1	281308033	YYXBHUXWOMYYRZ-UHFFFAOYSA-N	306.362	1.749	50	20	DDGD	
CCc1ccc([C@H](O)CNS(=O)(=O)CBr)cc1	285412958	VBTHZSVHZBQJNE-LLVKDONJSA-N	322.224	1.554	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2CCCC23CCOCC3)nn1	282882460	PWGWHDGXJDUARO-GFCCVEGCSA-N	305.382	1.760	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCSC[C@H]1C	299187361	CJYZLDRTFLEKCE-CYBMUJFWSA-N	321.446	1.122	50	20	DDGD	
Cc1cc(C)cc(CCNC(=O)NNC(=O)[C@@H]2CCCCO2)c1	296575563	YEAPNDLJOAOKPT-HNNXBMFYSA-N	319.405	1.745	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNc1ccc(F)cc1)c1nncn1C	807431537	GNMIQHYHAOEMPG-GFCCVEGCSA-N	306.345	1.978	50	20	DDGD	
CN(C)CCc1ccccc1NC(=O)NNc1ncncc1F	297846814	OJGSPFARWHDORC-UHFFFAOYSA-N	318.356	1.868	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)NCC1=CCCCC1	297063047	DAOLVQYFMQGHMN-UHFFFAOYSA-N	319.361	1.602	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)c1ocnc1C1CC1	808372735	ZBGZAHPLURSCNB-UHFFFAOYSA-N	324.340	1.968	50	20	DDGD	
Cc1[nH]c2ccccc2c1CC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	294330592	SQVZCKKWOLNXAJ-BONVTDFDSA-N	315.373	1.734	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1ccc(OC(F)F)nc1	296680685	INDITGPBXWJMKT-QMMMGPOBSA-N	316.264	1.015	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2ncc(F)cn2)ccc1F	807016017	LTRDCWISDXDCFY-UHFFFAOYSA-N	321.287	1.399	50	20	DDGD	
CC[C@@H](c1cccc(OC)c1)N(C)CC(=O)NNC(=O)C1CC1	808761523	OZPJMKKECOEZHI-HNNXBMFYSA-N	319.405	1.636	50	20	DDGD	
CNc1ccc(C(=O)NNc2cccc(C(=O)OC)c2)cn1	803084011	PYBRTKRXXWUCSP-UHFFFAOYSA-N	300.318	1.667	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@]2(O)CCSC2)cc1C	298191332	BIKMVISXNMHBMV-OAHLLOKOSA-N	324.402	1.483	50	20	DDGD	
Cn1cc(C(=O)C(=O)NNC(=O)Nc2ccc(Cl)cc2)cn1	802018609	QPTKBEVUPZOORN-UHFFFAOYSA-N	321.724	1.109	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@H]1CCc2c(Cl)cccc21	291894424	JUHUMJOOJIZDKD-STQMWFEESA-N	323.780	1.837	50	20	DDGD	
CCc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)s1	295277261	ZZHBENPUOLIFAP-WPRPVWTQSA-N	318.420	1.188	50	20	DDGD	
COc1cc(C(C)=NNC(=O)c2ccnc(N(C)C)c2)on1	814844262	GJMSUEPKEXTWGQ-UHFFFAOYSA-N	303.322	1.298	50	20	DDGD	
CN(C)C1CCC(NC(=O)NNc2cncc(Cl)n2)CC1	817791527	FNDQDKAUYKUVFN-UHFFFAOYSA-N	312.805	1.629	50	20	DDGD	
O=C(C[C@@H]1CCCS(=O)(=O)C1)NNc1cccc(Cl)n1	817007264	SVQZAOFPQBMZCT-VIFPVBQESA-N	317.798	1.393	50	20	DDGD	
Cc1c[nH]nc1C=NNC(=O)c1cc(Br)ccc1O	814857396	JXVLQELRCLMEAF-UHFFFAOYSA-N	323.150	1.950	50	20	DDGD	
O=C(NCCc1cccs1)NN=Cc1cc(CO)ccc1O	814818573	ZGFUEVGXIFZLPY-UHFFFAOYSA-N	319.386	1.822	50	20	DDGD	
CON(C)C(=O)CNC(=O)NNc1ccccc1C(F)(F)F	817792219	PPJMREGHNZITJE-UHFFFAOYSA-N	320.271	1.351	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)c2cccc(Cl)c2)cn1	814732549	QUBPESFQGBIZNH-UHFFFAOYSA-N	303.753	1.960	50	20	DDGD	
CCc1nc(C)c(C(=O)NNc2ccccc2S(C)(=O)=O)o1	815827503	CCJWPDZBMVQDLO-UHFFFAOYSA-N	323.374	1.706	50	20	DDGD	
COCc1cc(C(=O)NNc2nc3ccccc3n2C)no1	816578915	UWALHSREGJACPG-UHFFFAOYSA-N	301.306	1.465	50	20	DDGD	
C=CCOc1cc(OC)ccc1C(=O)NNc1ncncc1F	817081234	XFMYOZOUVVWVIY-UHFFFAOYSA-N	318.308	1.946	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccc2c(c1)C(=O)CCCC2	817868929	CKFHTZPCSVRRNL-UHFFFAOYSA-N	318.377	1.487	50	20	DDGD	
O=C(CCCc1ccccn1)NNC(=O)Cc1ccc(F)cc1	729282281	PJAGHXXIAYKLMI-UHFFFAOYSA-N	315.348	1.934	50	20	DDGD	
Cn1c(=O)oc2c(C(=O)NNc3cccc(Cl)n3)cccc21	817005208	JQXSZJWYWUOILL-UHFFFAOYSA-N	318.720	1.937	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@]2(C)CC2(F)F)cc1	817429297	NJHRIVXZQBUZPZ-CQSZACIVSA-N	312.316	1.821	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)C1(CCOCc2ccccc2)CC1	823934441	GLFMOPXVUGLWLO-CQSZACIVSA-N	306.406	1.717	50	20	DDGD	
CCNC(=O)NNC(=O)C1(NC(=O)OC(C)(C)C)CCCC1	727149828	ZMABCQSAQZVYNN-UHFFFAOYSA-N	314.386	1.174	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)c1c[nH]c(-c2nn[nH]n2)c1	826447805	WUMAGFHGEKFYOD-UHFFFAOYSA-N	320.316	1.500	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(Cc1ccco1)Cc1ccco1	827276570	LSJRNKQSHYWCNY-UHFFFAOYSA-N	319.361	1.678	50	20	DDGD	
COc1ccc([C@H](NCC(=O)NNC(=O)C(C)C)C(C)C)cc1	828629020	HGOWPFPSCZDCOS-MRXNPFEDSA-N	321.421	1.785	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2cc(C(F)F)n(C)n2)c1	827020731	BTNIFDFKCQTBBH-UHFFFAOYSA-N	314.317	1.802	50	20	DDGD	
Cc1oc(-c2cccs2)nc1CC(=O)NN(C)[C@@H](C)CO	823977410	WHJDPPNPLCGTGU-VIFPVBQESA-N	309.391	1.598	50	20	DDGD	
C[C@@H](CN1CCCCC1)NC(=O)/C(C#N)=C\c1cnn(C)c1	491011171	OAJLXSIZJXQANS-PBTLCFMXSA-N	301.394	1.318	50	20	DDGD	
CCCNC(=O)NNC(=O)Cc1nc(-c2ccsc2)oc1C	726941249	NVRIQNRHOPMEIA-UHFFFAOYSA-N	322.390	1.994	50	20	DDGD	
COC(OC)C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	821158904	VQCRSSFZUFKLFD-UHFFFAOYSA-N	303.240	1.639	50	20	DDGD	
COC[C@H](NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)C(=O)O	823339221	SODPLMOYNKCIPW-PHGLEFOZSA-N	320.183	1.156	50	20	DDGD	
O=C(CCC(=O)N1CC[C@H](B(O)O)C1)c1c(F)cccc1F	585068198	YITTXRRTMYOVDD-VIFPVBQESA-N	311.093	1.003	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccccc1[S@](=O)C(F)(F)F	823384790	USPILTZLDIAXCU-PPRQPISWSA-N	324.324	1.271	50	20	DDGD	
CCn1cc(C=NNC(=O)[C@H](C)Oc2ccc(F)cc2)nn1	901149174	HHZMZGBDIIODIH-JTQLQIEISA-N	305.313	1.355	50	20	DDGD	
O=C(Cc1csc(-c2ccoc2)n1)NNc1ncccn1	737791946	WRGRORVVPBXNFK-UHFFFAOYSA-N	301.331	1.879	50	20	DDGD	
Cc1ccc2c(c1)CC[C@@H]2NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	825761699	QFCKZXRKNDEMKR-ZLDLUXBVSA-N	317.389	1.738	50	20	DDGD	
COc1ccc(CCCCC(=O)N2CC[C@@H](B(O)O)C2)cc1	585078257	XANCCCHUXDRUJL-CQSZACIVSA-N	305.183	1.483	50	20	DDGD	
CCCCSCCc1nc(-c2cccc(B(O)O)c2)no1	585054610	YIUZVHCMBFPWDO-UHFFFAOYSA-N	306.196	1.492	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1cccc(C(=O)O)c1	739346478	XWCYWXGXRCXCIV-UHFFFAOYSA-N	316.288	1.528	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H](c2ccccc2)C1	584993591	XRBAUNGWLMTFRF-MRXNPFEDSA-N	309.174	1.386	50	20	DDGD	
Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NN)c2)c1	731450485	YTBHEEKLOMLXMO-UHFFFAOYSA-N	319.386	1.708	50	20	DDGD	
CCN(C)C(=O)OC[C@H]1CCCCN1S(=O)(=O)CCl	831528183	MLOBCUDNEQYVFC-SNVBAGLBSA-N	312.819	1.455	50	20	DDGD	
CC[C@H](CC(=O)N1CC[C@@H](B(O)O)C1)c1ccc(OC)cc1	585066169	MTHUHQWUQBBGOI-TZMCWYRMSA-N	305.183	1.654	50	20	DDGD	
C[C@@H]1[C@H](NCc2ccc(B(O)O)cc2F)C[C@H]1c1ccccc1	585028890	SHVYCXPURPKYBU-BJOOFOGMSA-N	313.181	1.787	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)Nc1ccc(N(C)C)cc1	834961488	IEIRUBPYJOVVPP-UHFFFAOYSA-N	315.381	1.828	50	20	DDGD	
C[C@@H]1CCN(C(=O)[C@]2(C)C[C@H]2Br)CCS1(=O)=O	907745903	GUFCELLGUSTYIX-FXPVBKGRSA-N	324.240	1.196	50	20	DDGD	
Cn1cc(C(=O)NN[C@H](C(=O)O)c2cccnc2)c2ccccc21	833042065	UQBQBRCAJVZBDR-HNNXBMFYSA-N	324.340	1.634	50	20	DDGD	
CC(C)(C)[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(F)(F)F	584955423	NESUGRXXMOPTNU-LLVKDONJSA-N	303.089	1.073	50	20	DDGD	
CC(C)C(CNC(=O)c1ccc([N+](=O)[O-])cc1)=NNC(=O)O	736358296	IFGDAWHWFHFYNX-UHFFFAOYSA-N	308.294	1.604	50	20	DDGD	
NC(=O)NN=Cc1nc(-c2cccc(Br)c2)c[nH]1	731922674	LUIGEDLARMLTOY-UHFFFAOYSA-N	308.139	1.841	50	20	DDGD	
C#CCN(CC(=O)NNc1ccccn1)C(=O)OC(C)(C)C	831756020	ZEEQQEMSLZUAIG-UHFFFAOYSA-N	304.350	1.395	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNC(=O)c1ccc(Cl)cc1	838672257	HFPJZQFLGIJMKA-NEPJUHHUSA-N	309.753	1.628	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1cc2ccccn2n1	836613578	WGYUBOAHCHCAFR-NSHDSACASA-N	303.322	1.056	50	20	DDGD	
O=C(N[C@H]1CC[C@@H](c2ccccc2)C1)c1cccc(B(O)O)c1	584970010	KCONRAPWBRHAAI-PBHICJAKSA-N	309.174	1.433	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)C1=NO[C@H](c2ccccc2)C1	833255564	GHOQYMGKLGBQMI-KBPBESRZSA-N	317.345	1.221	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1NC(=O)NNC(=O)COc1ccccc1F	838761428	QVBPAOMYVHKNRA-CMPLNLGQSA-N	309.341	1.579	50	20	DDGD	
O=C(NC[C@@H]1Cc2ccccc21)NNC(=O)[C@@H]1CCCCO1	837798924	DVLZNUGSBARZBI-JSGCOSHPSA-N	303.362	1.226	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCCO1)c1cn(-c2ccccc2)nn1	834986756	XEYQRFULGBVFGF-OAHLLOKOSA-N	313.361	1.677	50	20	DDGD	
CC(C)CC(CC(C)C)=NNC(=O)[C@H]1CCS(=O)(=O)C1	730576293	OQMJANZWSSYIGI-LBPRGKRZSA-N	302.440	1.986	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCc2ccncc2)c2ccccc21	916146408	PZIWEXFKRWKRGQ-UHFFFAOYSA-N	322.368	1.967	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cccc(Oc2ccncc2)c1	910168504	TYYXGAGDBOOXNM-LBPRGKRZSA-N	301.346	1.831	50	20	DDGD	
CC(C)[C@@]1(C)C[C@@H]1NC(=O)NNC(=O)COc1ccccc1F	838767539	RPKRHPMGBGLSNO-XJKSGUPXSA-N	323.368	1.970	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNC(=O)[C@@H]2CCCCO2)s1	833250532	IMYFUQHJVANNCC-VIFPVBQESA-N	311.407	1.771	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)[C@@]2(O)CCOC2)C1	912581769	JMNBSOCDZNBKPG-SWLSCSKDSA-N	315.486	1.761	50	20	DDGD	
O=C(NC[C@@H]1CCCC1(F)F)NNC(=O)[C@H]1CCCCO1	836603434	MVJGVTUMAGXQRQ-VHSXEESVSA-N	305.325	1.321	50	20	DDGD	
COc1cccc2c1CN(C(=O)NNC(=O)C1CCCC1)CC2	836425244	UWGZVPABYDAFOQ-UHFFFAOYSA-N	317.389	1.984	50	20	DDGD	
C[C@H](Cc1ccco1)NC(=O)NNC(=O)Cc1ccncc1	747490389	YDLKGAZLRIIFQZ-LLVKDONJSA-N	302.334	1.179	50	20	DDGD	
O=C(NCCOCc1ccccc1)NNC(=O)C1CCCC1	747588090	CDTYEXGTAAWHPS-UHFFFAOYSA-N	305.378	1.724	50	20	DDGD	
C[C@]1(C(=O)NCCCOc2ncccn2)C[C@@H]1Br	911974945	BORVTVVPPOGPPQ-CABZTGNLSA-N	314.183	1.535	50	20	DDGD	
COC[C@]1(C)CCN(CC(=O)NNC(=O)c2ccc(C)cc2)C1	830524610	LAPXQUZTVQDNLY-QGZVFWFLSA-N	319.405	1.114	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1	910164308	UEUONOBXYMVGOV-NSHDSACASA-N	301.346	1.203	50	20	DDGD	
COc1ccc(C)cc1S(=O)(=O)NCCCSC#N	916964076	IZVYJOMDGDOPTH-UHFFFAOYSA-N	300.405	1.886	50	20	DDGD	
CCCN1CC[C@H](CNC(=O)NNC(=O)CC(F)(F)F)C1	919792737	ACYHNYQRZJGESO-SECBINFHSA-N	310.320	1.001	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(CSc2nc[nH]n2)cc1	910164943	FJBPAHUATCSYCP-SNVBAGLBSA-N	321.406	1.054	50	20	DDGD	
CN(C)c1ncc(C(=O)NNC(=O)NCC2CC2)cc1Cl	847391256	WHFZXLKCPDQUJX-UHFFFAOYSA-N	311.773	1.155	50	20	DDGD	
CSc1ccc(C=NNC(=O)[C@H](C)CN2CCOCC2)cc1	916361757	FLHBILBXCGDSJR-CYBMUJFWSA-N	321.446	1.827	50	20	DDGD	
O=C(CSc1ccccc1[N+](=O)[O-])NNC(=O)C1CC=CC1	844127096	GINOVJZORYPGJS-UHFFFAOYSA-N	321.358	1.801	50	20	DDGD	
CCc1ccc(C(=O)NNS(=O)(=O)N2CCCCC2)cc1	742026699	VYIPTSXVWYEHFQ-UHFFFAOYSA-N	311.407	1.214	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccccc1SC(F)F	841014741	BDGBBRREPCMJCE-UHFFFAOYSA-N	318.349	1.893	50	20	DDGD	
O=C(NNC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccccc1F	745363399	VYYLHBUFWQXTBJ-UHFFFAOYSA-N	321.239	1.948	50	20	DDGD	
CC[C@H](C)c1ccc(C(=O)NNC(=O)CN2CCCC2=O)cc1	913731516	LNIJPOVZEFPBLM-LBPRGKRZSA-N	317.389	1.584	50	20	DDGD	
CO[C@@H](CC(=O)NNc1cc(Cl)nc(N)n1)C(F)(F)F	845934303	OPUKWRVZQLJHMO-BYPYZUCNSA-N	313.667	1.123	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1cn(C)nc1-c1ccncc1	842553217	FVBCNTUXBGYKGP-RISCZKNCSA-N	313.361	1.357	50	20	DDGD	
Cc1ncc2n1C[C@@H](C(=O)NNc1cccc(Cl)n1)CC2	846212170	LANXHHXPPBQDIU-JTQLQIEISA-N	305.769	1.946	50	20	DDGD	
CC[C@@H]1C[C@H](C(=O)NNc2cc(O)nc3ncccc23)CCO1	913990868	AMEVMYHHMOZMBW-GHMZBOCLSA-N	316.361	1.984	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)CCN1CCCCCC1	916355902	NZCPIVURYYBXTL-UHFFFAOYSA-N	305.426	1.753	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cccc(OCC(=O)O)c1	842558634	YFHFBFXDTRMLEX-GXFFZTMASA-N	306.318	1.025	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H](O)c1ccccn1	840545990	WVTTVOGVHDDGAO-NSHDSACASA-N	321.768	1.825	50	20	DDGD	
COc1ccc(Br)cc1C(=O)NN(C)C[C@H](C)O	910162233	DEMAFRFEMQIUAP-QMMMGPOBSA-N	317.183	1.415	50	20	DDGD	
CCc1onc(-c2ccccc2)c1C(=O)NN(C)C[C@H](C)O	910151013	YFIXIPQKRYVLDN-NSHDSACASA-N	303.362	1.861	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)O[C@H](C)C(=O)N(C)C)cc(C#N)n1C	744633720	YXYSBJCPYUWUAB-PZHUPROXSA-N	314.345	1.132	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1C[C@H]1C1CCC1	845830999	VKROUCHMIWRWFI-NWDGAFQWSA-N	308.403	1.969	50	20	DDGD	
C#CCCCNC(=O)NNC(=O)c1ccc(OC)c(OC)c1	743691140	SRZDFTFEKYVVMX-UHFFFAOYSA-N	305.334	1.061	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H]1CCCC12OCCO2	912633250	IVTZVYLZDJKWED-VSKPTYQZSA-N	314.341	1.711	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1c[nH]c(C(F)(F)F)c1	843970353	DXJSEQUYQMTRFS-XPUUQOCRSA-N	305.256	1.220	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)Cc2ccc(F)cc2)CCN1C	745855189	SIYRNPBAFFXBRP-BXUZGUMPSA-N	322.384	1.181	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@H](C)CCCCN	841994167	IYHLKLVTSHKLHG-CYBMUJFWSA-N	306.410	1.385	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@@H]1CCN(Cc2ccccc2)C1	847391082	QBSALCXIRSLYMR-OAHLLOKOSA-N	316.405	1.249	50	20	DDGD	
C[C@@H](COCC(=O)NNC(=O)CC(F)(F)F)c1ccccc1	846633256	YQUOJCUHVRCMNI-JTQLQIEISA-N	318.295	1.907	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2nccnc2C(C)C)cn1C	846642073	AYASMGIABOFVAO-UHFFFAOYSA-N	301.350	1.364	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@H]1CCN(C2CCCCC2)C1	748846511	QMIJWOMPDBNTQA-JTQLQIEISA-N	321.343	1.741	50	20	DDGD	
C=C[C@@H](C)ONC(=O)NNC(=O)c1ccc(OC)c(OC)c1	845638086	CGTJFGILCDIXBZ-SECBINFHSA-N	309.322	1.154	50	20	DDGD	
Cn1cc(CC(=O)NNC(=O)c2ccccn2)c2ccccc21	920758715	WXTVDDGTXJEQIU-UHFFFAOYSA-N	308.341	1.577	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)Cc1ccccc1F)n1ccnc1	844382842	KYTHPJAYDOGWPA-NSHDSACASA-N	304.325	1.363	50	20	DDGD	
N#CC1(CNC(=O)NNC(=O)Cc2ccc(Cl)cc2)CCC1	842197563	WKDGYFMGFCNIAI-UHFFFAOYSA-N	320.780	1.907	50	20	DDGD	
COc1cccc2c1NC(=O)C2=NNC(=O)NC1CCCC1	842524307	CDVWZXOKOYWCLV-UHFFFAOYSA-N	302.334	1.593	50	20	DDGD	
CC1CCN(C[C@@H](C)NC(=O)NNc2ncncc2F)CC1	852603906	WPVXMVHAYXJBAP-LLVKDONJSA-N	310.377	1.362	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H]2C[C@H](C)Cc3c[nH]nc32)c1	857871810	WVBVAZCTIIBNNZ-LDYMZIIASA-N	318.402	1.907	50	20	DDGD	
C[C@@]1(CNC(=O)NCCOCC2CC2)C[C@H]1Br	856833211	XTIWHDVLHZBJPU-PWSUYJOCSA-N	305.216	1.886	50	20	DDGD	
O=C(NNC(=O)C1(c2c(F)cccc2F)CCC1)c1cc[nH]n1	855354425	DSDNHNRWKJRGIA-UHFFFAOYSA-N	320.299	1.571	50	20	DDGD	
CC1(C)OCC(C)(C(=O)NNC(=O)OCC(F)(F)F)CO1	856022107	QXFSGUODQNHZPW-UHFFFAOYSA-N	314.260	1.095	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C)c1cc[nH]n1	853377219	JXULDNMFYICDIV-BXUZGUMPSA-N	316.365	1.151	50	20	DDGD	
C#CC[C@@H](CCOC)NC(=O)NNC(=O)c1ccccc1F	858405921	VBFLVYXVJGCXCT-NSHDSACASA-N	307.325	1.198	50	20	DDGD	
Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)NN)c1	920433330	IKBRRYXTAUAPBU-UHFFFAOYSA-N	319.386	1.708	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2cccc(F)c2F)n1	756254074	PGWVKQNZOJOTIQ-UHFFFAOYSA-N	323.303	1.631	50	20	DDGD	
CCCOc1ccc(Cl)cc1NC(=O)NNC(=O)COC	756020329	YNUMDGXECCVKBY-UHFFFAOYSA-N	315.757	1.928	50	20	DDGD	
CCO[C@H]1COCC[C@H]1NC(=O)NNc1cc(F)ccc1C	853987966	KKUKAAMZVTVQTC-OCCSQVGLSA-N	311.357	1.954	50	20	DDGD	
CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)NCCCSC#N)C1	854359506	NIMBWMCKIBTMLP-SNVBAGLBSA-N	313.379	1.194	50	20	DDGD	
CC[C@H](NC)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	852805781	MGSRGLWFVNBBBA-JTQLQIEISA-N	309.757	1.831	50	20	DDGD	
C[C@H]1CN(C2CC2)CC1=NNC(=O)[C@H](C)CN1CCCCC1	755886200	LIXCUVIQSCQITC-UONOGXRCSA-N	306.454	1.695	50	20	DDGD	
CC(=NNC(=O)N(C)C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	853296775	QRLFHLDJTVHNOV-NSHDSACASA-N	314.386	1.269	50	20	DDGD	
CCC[C@H]1CN(C(=O)NNC(=O)c2cccc(F)n2)CCO1	852709301	RCYVCWAVWYYBDU-JTQLQIEISA-N	310.329	1.076	50	20	DDGD	
O=C(NC[C@H]1CCN1Cc1ccccc1)NNc1ccncn1	852701149	NBFRVLOWWYQYHS-CQSZACIVSA-N	312.377	1.377	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ccc2nc(O)[nH]c2c1	759285553	MYYQLBRIZXKCIE-UHFFFAOYSA-N	314.261	1.329	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc(C#N)cc2)c(C(F)F)n1	755172433	JEZPVCNDTBIAKH-UHFFFAOYSA-N	319.271	1.304	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1cc(N2CCN(C)CC2)ccn1	864350221	FLTZVFDDYCJEOJ-SEYXRHQNSA-N	315.377	1.216	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1CCCc2nc(O)ccc21	764684699	PIERZXPXQZKWES-UHFFFAOYSA-N	317.374	1.605	50	20	DDGD	
Cc1cc(=NNC(=O)C2CCN(C(=O)C(C)C)CC2)cc[nH]1	862509217	HUTYMURXMWFQON-UHFFFAOYSA-N	304.394	1.150	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2nc3ccc(Cl)cc3n2C)cn1	763362304	DBYYACLXKHAISP-UHFFFAOYSA-N	316.752	1.724	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NNCC(F)(F)C(F)(F)F)C1	863090992	IXSNWSGYJLACSY-QMMMGPOBSA-N	317.258	1.063	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2cccc(OC3CC3)c2F)N1	863150809	BZGPSZPQAWLRPN-LLVKDONJSA-N	305.309	1.096	50	20	DDGD	
C[C@H](NS(=O)(=O)CC(C)(C)CCl)C(=O)NC(C)(C)C	866595032	USKDHOGPLFLVHN-VIFPVBQESA-N	312.863	1.474	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccsc1CC(=O)OC	865014848	OZXJBISULQSNPV-UHFFFAOYSA-N	313.379	1.208	50	20	DDGD	
CN(Cc1ncc[nH]1)C(=O)NC[C@]1(C)C[C@@H]1Br	868795747	OTTUMFJZRUPILY-KWQFWETISA-N	301.188	1.725	50	20	DDGD	
O=C(NN=Cc1sccc1Br)N1CCOCC1	764911658	MGEIKYLZOJFABT-UHFFFAOYSA-N	318.196	1.886	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccccc2F)oc1C	767727905	CTBIXIWIACEHEM-UHFFFAOYSA-N	306.293	1.876	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CC2(CN(Cc3ccccc3)C2)C1	869814784	FZCUHPHHNSOIBY-YBEGLDIGSA-N	311.385	1.775	50	20	DDGD	
CCOC(=O)CCS[C@H](C)C(=O)NNC(=O)CC(C)C	865377891	BYDTVSJDZIYFQP-SNVBAGLBSA-N	304.412	1.255	50	20	DDGD	
CC[C@@](C)(NC(=O)NNC(=O)c1c[nH]nc1C)C(F)(F)F	933514826	GJSCBAJITXDDDO-SNVBAGLBSA-N	307.276	1.393	50	20	DDGD	
COc1cccc([S@@](=O)CC(=O)NN[C@@H](C)C(F)(F)F)c1	862323220	QYCIJWYNOMFEDH-PPRQPISWSA-N	324.324	1.374	50	20	DDGD	
C[C@@H](NNC(=O)c1cc2c(cc1F)NC(=O)CC2)C(F)(F)F	862314567	DWRIAMBHEWBEQJ-ZCFIWIBFSA-N	319.258	1.896	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=Cc1csc(C(F)(F)F)c1	863184245	UZSYWQSMTMBKBC-UHFFFAOYSA-N	314.310	1.262	50	20	DDGD	
CCOC(=O)c1ncc(/C=C(\C#N)S(=O)(=O)CC)s1	865223040	DIFJQHIXCOOKQU-WEVVVXLNSA-N	300.361	1.619	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1ccc(SC)c(Cl)c1	766356211	UOHFXTRIJCJQJG-UHFFFAOYSA-N	308.812	1.781	50	20	DDGD	
Cc1cc(C)c(C(=O)NNCC(F)(F)C(F)(F)F)c(O)n1	863095070	FPVDBBXROCXOTC-UHFFFAOYSA-N	313.226	1.836	50	20	DDGD	
Cc1csc(CCC(=O)NNC(=O)c2ccccc2O)n1	768186458	VLDKIMLERPQQJW-UHFFFAOYSA-N	305.359	1.551	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CCO)cc1N1CCCC1	1119278730	WVMVECUJWUPCIO-UHFFFAOYSA-N	306.366	1.130	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNC(=O)c2ccc(Cl)cc2O)c[nH]1	762799400	VGDLNXMHMDVJJM-UHFFFAOYSA-N	321.720	1.117	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(N(C)C)c2)ns1	766344499	VAQCHOMEPBOLOO-UHFFFAOYSA-N	304.375	1.592	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1	765327999	SJEPGIDSTNXXAP-KBPBESRZSA-N	305.378	1.893	50	20	DDGD	
Cc1nc(C)c(C(=O)NNc2nc(-c3ccncc3)no2)o1	1116219678	KBVUOJWHTACJPN-UHFFFAOYSA-N	300.278	1.493	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc(C(F)(F)F)cc1	779826248	JAUNRLBVDHOHMK-UHFFFAOYSA-N	303.240	1.512	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	877948064	ZNFZFYIHXXJCGJ-UHFFFAOYSA-N	302.718	1.863	50	20	DDGD	
Cc1cc(N(C)C)ccc1NC(=O)NNC(=O)C1CCOCC1	878229762	QTHVWOVZPFVGQN-UHFFFAOYSA-N	320.393	1.640	50	20	DDGD	
O=C1CN(c2ccc(NC(=O)CCl)cc2Cl)CCN1	1116437580	IPXOUFKOQANJPZ-UHFFFAOYSA-N	302.161	1.454	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ccccc2[N+](=O)[O-])c1Cl	1116292975	UKOKKKACJOVAMV-UHFFFAOYSA-N	308.685	1.377	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc([S@@](C)=O)c(F)c1	770349472	MFBNWFXDFMSRML-HXUWFJFHSA-N	301.343	1.372	50	20	DDGD	
Cc1cc(NNC(=O)c2cnn(-c3cccnc3)c2)nc(C)n1	771583365	QEGLFPLLHXXUSL-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](C(C)(C)O)C1	879963040	TYNGQANSLVRMNN-QWHCGFSZSA-N	313.442	1.051	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccccn2)ccc1[N+](=O)[O-]	770591452	WOMTWMPWHMSXMP-UHFFFAOYSA-N	300.274	1.762	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C(C)(C)c1ccc(O)cc1	773727157	ALJQQIAYARDQEM-JTQLQIEISA-N	322.361	1.159	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)Nc1ccc(C2CC2)nn1	770072008	VHRWIKQRVCDRDC-UHFFFAOYSA-N	305.729	1.946	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1ccc(C)c(OC)c1	771969246	OSGWHIDMRIRVCB-LLVKDONJSA-N	322.361	1.035	50	20	DDGD	
CCN1CCC(=NNC(=O)c2ccc(C(=O)O)cc2)[C@H](C)C1	872408828	KUSQOKZGSKMWOX-LLVKDONJSA-N	303.362	1.832	50	20	DDGD	
CCn1nncc1C(=O)NNC(=S)Nc1ccc(C)cc1C	873761156	RYOFUFDHYAWROG-UHFFFAOYSA-N	318.406	1.546	50	20	DDGD	
COC(=O)c1cncc(C(=O)NNC(=O)c2ccccc2F)c1	774255377	YNTWNHICBHDBBQ-UHFFFAOYSA-N	317.276	1.082	50	20	DDGD	
COC(=O)/C=C1\SCC(=O)N1CCCN1CC=C(C#N)CC1	779589977	MHIRLQICNQHHDQ-ZROIWOOFSA-N	321.402	1.122	50	20	DDGD	
Cc1cn(-c2ccccc2)nc1C(=O)NNC(=O)c1c[nH]nc1C	771326626	JQGOVSONUAWXFW-UHFFFAOYSA-N	324.344	1.287	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1cnn([C@H](C)C2CC2)c1	779504152	APXICKPTBWCKLA-SECBINFHSA-N	317.353	1.352	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)Cc2ccc(Cl)cc2)CCCOC1	781139609	YJSVGIQDFXPQHL-OAHLLOKOSA-N	310.781	1.847	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1c[nH]nc1-c1cccc(Cl)c1	785466723	VKMPZEBGJABGPN-UHFFFAOYSA-N	306.753	1.951	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)OCCCOC(F)(F)F)cn1	884535888	OECGBIJSAWCLDT-BJMVGYQFSA-N	303.240	1.797	50	20	DDGD	
Cc1ccc(C(F)(F)C(=O)NNc2nnc(C)c(O)n2)cc1	780331321	QARYPJNDDRZPIO-UHFFFAOYSA-N	309.276	1.429	50	20	DDGD	
CCc1cccc(C)c1NC(=O)C(=O)NNc1ncc(F)cn1	784950259	WIUIKWKBKUZSBU-UHFFFAOYSA-N	317.324	1.568	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNC(=O)c2cccc(Cl)n2)n1	880696509	GDWHGBJJPKDLEK-SECBINFHSA-N	321.768	1.337	50	20	DDGD	
C/C=C(/CC)C(=O)OCC(=O)NNC(=O)Cc1ccccc1C	789232971	DGJSLAYQQTUYMW-PQMHYQBVSA-N	318.373	1.584	50	20	DDGD	
CC(=O)N1C[C@@H]2CCC[C@H](NS(=O)(=O)CCCCl)[C@H]2C1	882200292	AKWOZFPGVYIRSQ-AVGNSLFASA-N	322.858	1.182	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cccc(N2CCNC2=O)c1C	786318364	ZXYCFZXBMAPTMB-UHFFFAOYSA-N	305.338	1.087	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1C=NNC(=O)CNC(=O)c1cccnc1	783853924	IKTBQSRXHAMXMA-CHWSQXEVSA-N	302.378	1.740	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@@H](C)OC[C@H]1CCCO1	788181484	SOCWLVCNLGDXOR-ZYHUDNBSSA-N	312.341	1.862	50	20	DDGD	
O=S(=O)(CBr)NCCOC1CCCCCC1	782444825	OUFSBUMROGKTRB-UHFFFAOYSA-N	314.245	1.998	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCCOC(=O)/C(C#N)=C/C1CC1	786678523	DUHXXJVYHKYUBD-MFUUIURDSA-N	300.314	1.793	50	20	DDGD	
CCNC(=O)CC(=O)NNc1nc2ccc(OC)cc2cc1C	781020987	OBNNBJAKWJSWAC-UHFFFAOYSA-N	316.361	1.521	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H](C(=O)NNC(=S)NC(C)(C)C)C1(C)C	899996508	WGPOEOQWIURXAE-NXEZZACHSA-N	313.467	1.922	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(O[C@@H]2CCOC2)cc1	790015158	BAWDHHHYCIBQJC-CYBMUJFWSA-N	307.350	1.160	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1cccc2c1OCCCO2	794958224	YDTRFIFLVPOYSX-XFXZXTDPSA-N	308.359	1.604	50	20	DDGD	
C[S@@](=O)c1ccc(CC(=O)NNC(=O)CC2CCCC2)cc1	798109119	OFDUOPKYCFLQHW-JOCHJYFZSA-N	322.430	1.694	50	20	DDGD	
O=C(NN=Cc1ccc2occc2c1)N[C@@H]1CCS(=O)(=O)C1	794901339	LYOFYFJBFUQFFJ-GFCCVEGCSA-N	321.358	1.253	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cccc(C)c2[N+](=O)[O-])n1	794089469	GJNMSOUKLKCUJY-UHFFFAOYSA-N	314.301	1.681	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12	798307407	SIQWJOOXCLRNBH-UHFFFAOYSA-N	319.346	1.371	50	20	DDGD	
O=C(CCSc1ccccc1)NNC(=O)C1CCOCC1	894098158	XAEMSKWQVIDYKX-UHFFFAOYSA-N	308.403	1.743	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNC(=S)NC(C)(C)C	899996232	HHCWHOZIHPDUGH-UHFFFAOYSA-N	303.428	1.260	50	20	DDGD	
CCC1(C(=O)NNC(=O)c2cc(C)nc3ccccc23)COC1	799010066	QIYMKSGOAMOBMC-UHFFFAOYSA-N	313.357	1.731	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)COC1CCC(C)CC1	795948828	BRNYRPKMBMOTEC-CXQJBGSLSA-N	314.382	1.071	50	20	DDGD	
O=C(CCc1cnccn1)NNC(=O)Cn1ccc2ccccc21	793440373	UEAMPCWITBNDGR-UHFFFAOYSA-N	323.356	1.212	50	20	DDGD	
O=C(NNC(=O)c1cc(F)c(F)cc1Cl)c1ncccn1	799435033	XZXUBJUJPBQDRO-UHFFFAOYSA-N	312.663	1.483	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CN(C)C)c1ccc(C(F)(F)F)cc1	799099989	BGBYEUOSCCWNCW-VIFPVBQESA-N	317.311	1.518	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cc2c(s1)CCC2)C(=O)OC	790117341	YVOVTPKHZUPPDH-VIFPVBQESA-N	310.375	1.197	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)Cc2cccc(C(F)F)c2)nn1	790879386	VCNMXAMVUMAZCB-UHFFFAOYSA-N	321.287	1.199	50	20	DDGD	
O=C(Cn1ccc2ccccc2c1=O)NNC(=O)C1CCCC1	790531598	VMNHPTLBJMKNMK-UHFFFAOYSA-N	313.357	1.339	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1cccc2[nH]ccc12	792378924	YNTWUQRUXLXJOK-UHFFFAOYSA-N	309.329	1.953	50	20	DDGD	
Cn1ccnc(NNC(=O)CSCc2cccs2)c1=O	1318973549	MUQOBSAKNOYGCB-UHFFFAOYSA-N	310.404	1.218	50	20	DDGD	
Cc1c([C@@H](C)NC(=O)NNc2nncc(N)c2Cl)cnn1C	1319406919	WJXSHTMJYNXPLO-ZCFIWIBFSA-N	324.776	1.141	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)c1cnoc1C1CC1	1319335340	AXWGOYIHODCLBJ-UHFFFAOYSA-N	317.301	1.098	50	20	DDGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1cc[n+]([O-])cc1	1319128243	VILAAIWKABPGSI-UHFFFAOYSA-N	304.253	1.552	50	20	DDGD	
CC(=O)CCC(=O)NNC(=O)c1cncn1-c1ccccc1	1317724129	IJRCZBPMHCEEHA-UHFFFAOYSA-N	300.318	1.003	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)c2ccccc2Cl)nn1	1319746811	VSTOXIPGFKLVGB-UHFFFAOYSA-N	307.741	1.416	50	20	DDGD	
C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)CCl	1319676023	NRPDKYFHGAFUEQ-JTQLQIEISA-N	323.780	1.448	50	20	DDGD	
CCCCCN1C(=O)C(=NNC(=O)C(=O)OC)c2ccccc21	1318911779	OCNGBSRRGGLSHG-UHFFFAOYSA-N	317.345	1.217	50	20	DDGD	
COc1cccc(CC(=NNC(=O)C[N+](C)(C)C)C2CC2)c1	1325013128	YEYYNIIAJHCTMZ-UHFFFAOYSA-O	304.414	1.826	50	20	DDGD	
O=C(NNC(=O)N1CC[C@@H]2OCCC[C@H]2C1)c1cccc(F)n1	1329926521	VCAHUMFOUOXGEL-JQWIXIFHSA-N	322.340	1.076	50	20	DDGD	
O=Cc1ccc(C(=O)NNC(=O)c2cncn2-c2ccccc2)[nH]1	1323562867	ZOVPOKFIGYKEIW-UHFFFAOYSA-N	323.312	1.088	50	20	DDGD	
CCN(CCOC)c1nnnn1C[C@]1(C)C[C@H]1Br	1337712900	AWIJOJFQHJZAJX-KOLCDFICSA-N	318.219	1.319	50	20	DDGD	
CC1=NO[C@@](C)(C(=O)NNC(=S)Nc2cccc(C)c2)C1	1262564511	KNXFOUWDKQVJLI-CQSZACIVSA-N	306.391	1.868	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CC(C)C)c([N+](=O)[O-])c1	1344512397	PNRKQZAVXUFJQU-UHFFFAOYSA-N	310.310	1.802	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1ccncc1)NC1CCCCC1	1345506018	HGNOTFOWPMYTLC-UONOGXRCSA-N	302.378	1.848	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1F)Nc1ccc(Br)cc1	1348612970	YQSGZLRUGIWRNG-RKDXNWHRSA-N	316.130	1.960	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NNc1nc(O)c2ccccc2n1	1353626757	ZOSCXSQYRWDUQU-LBPRGKRZSA-N	315.377	1.651	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@@H]1CNC(=O)NNc1ccccn1	1357749820	DWLORUCFWXURAT-LLVKDONJSA-N	321.381	1.717	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C[C@H]1C(=O)Nc2c(F)cccc21	1351091852	SDNOCOOZCSVJMB-SECBINFHSA-N	324.381	1.155	50	20	DDGD	
C[C@@H](OC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)C(=O)C(=O)O	1604393338	IQAUXQXAQTZVTN-MOEZTCPLSA-N	319.151	1.526	50	20	DDGD	
Cn1cc(NC(=O)NNc2ncc(F)cc2F)cc1C(=O)O	1608119999	YSTHJYRPIUIIQM-UHFFFAOYSA-N	311.248	1.545	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)C2(C(=O)O)CC2)cc1	1609670139	SWRCJBYHVILGQK-UHFFFAOYSA-N	304.346	1.610	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)N[C@@H]1C[C@H]1C1CCOCC1	1601558599	BHYYTMZUNOEMNO-UONOGXRCSA-N	319.361	1.826	50	20	DDGD	
Cc1c(NNC(=O)c2cn(C(C)C)nn2)cccc1C(=O)O	1600054210	NYEBXQVPLABZNR-UHFFFAOYSA-N	303.322	1.623	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)Cn2cc(C3CC3)cn2)cc1	1602127233	KHCLPDQZTWSDSN-UHFFFAOYSA-N	314.345	1.531	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=Cc1cc(C(=O)O)co1	1603300550	OQIOBNOSEVKAJA-UHFFFAOYSA-N	323.349	1.370	50	20	DDGD	
Cc1ccc(C(=O)NNc2cccc(C(=O)O)c2C)c(O)n1	1600341900	DHEZPIVTCJJDKT-UHFFFAOYSA-N	301.302	1.859	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)O[C@H](CC(C)(C)C)C(=O)O)cn1	1600944519	AQJXPDJNUNRWOG-DKRCXCIFSA-N	305.334	1.760	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)N[C@@H]1CCCC12OCCO2	1608483615	SQSXZDJCUHVEAK-GFCCVEGCSA-N	321.333	1.307	50	20	DDGD	
Cc1occc1C=NNC(=O)[C@H]1CCCO[C@@H]1c1nccn1C	1549315880	MWNZCYRBLZUBSP-KBPBESRZSA-N	316.361	1.940	50	20	DDGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)[C@@H]1COCCN1	1574334039	KESZAYOUPSNVBI-VIFPVBQESA-N	308.140	1.564	50	20	DDGD	
CC(C)n1cc(NC(=O)NNc2ncccc2C(=O)O)cn1	1573568496	ODVAUXRPJYPSQG-UHFFFAOYSA-N	304.310	1.706	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)c2ccc(CCl)cc2)[C@@H](C)CN1	1576814174	ZDBOSCMIRJHSTM-QWRGUYRKSA-N	302.827	1.796	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H](O)C(C)C)C2	1845162817	PKASQSVFGWAAMQ-NWDGAFQWSA-N	316.829	1.224	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cocn2)C1	1842546024	NFSCKZRKKNFCNP-JTQLQIEISA-N	311.769	1.509	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1[nH]c(C)c(C(=O)O)c1CCC	1595758483	CHMVNVNZJJWXGC-UHFFFAOYSA-N	324.381	1.718	50	20	DDGD	
CN1C[C@@H]2CC[C@H](NC(=O)NNc3cccc(C(=O)O)c3)[C@H]2C1	1598574723	ZEHUWVRFSPYWNH-UBHSHLNASA-N	318.377	1.351	50	20	DDGD	
CCN(CC)[C@H](C)CNC(=O)NNc1cccc(C(=O)O)c1	1596287292	WDDFWZKMMZWXRG-LLVKDONJSA-N	308.382	1.741	50	20	DDGD	
CCNC(=S)NNC(=O)c1cc(-c2ccc(C)cc2)n[nH]1	14309088	FIVQWBYPCYEMID-UHFFFAOYSA-N	303.391	1.514	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)nc(Cl)c1)c1cccnc1	15632873	HMADRXBZOSENIG-UHFFFAOYSA-N	311.128	1.858	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@H]1CCn2ccnc2C1	161332929	FQBKCTYSXAUHIS-LBPRGKRZSA-N	324.344	1.639	50	20	DDGD	
O=C(CNC(=O)NCc1ccco1)NNc1ccccc1Cl	158462850	OIJQSLICVGWXHZ-UHFFFAOYSA-N	322.752	1.876	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)CC1(CS(C)(=O)=O)CC1	160800056	WPUINWBFHFZATP-UHFFFAOYSA-N	314.382	1.792	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNc1cnc2ccccc2n1	163605481	JUMOPGZCQMDQJU-UHFFFAOYSA-N	315.377	1.769	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)[C@@H]1CCCCO1	153540774	YALOBRBPDYYKBG-LBPRGKRZSA-N	311.769	1.740	50	20	DDGD	
O=C(NNC(=O)c1csc([C@H]2CCCO2)n1)c1ccncc1	157191053	YYNOAPUDTHFTBL-LLVKDONJSA-N	318.358	1.464	50	20	DDGD	
CCc1ccccc1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	154370165	BHCPOXDNACAXJJ-ZDUSSCGKSA-N	310.419	1.355	50	20	DDGD	
COc1ccc(NNC(=O)c2cnc3c(c2)c(C)nn3C)nc1	159223512	CFDXBXDBGQFMAO-UHFFFAOYSA-N	312.333	1.437	50	20	DDGD	
CN(CC(F)F)C(=O)NNC(=O)Cn1ccc2ccccc21	104819737	URVUOTRORUOQBB-UHFFFAOYSA-N	310.304	1.579	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)c2c[nH]nc2C)c1	109859059	SRTWKJLIZRRBMG-UHFFFAOYSA-N	302.334	1.121	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)NC1CCCC1	54036628	JSKYRKGZPZDUAE-UHFFFAOYSA-N	307.350	1.347	50	20	DDGD	
COCCCCNC(=O)NNC(=O)CCc1ccc(OC)cc1	56642104	BLMWZOXZCAWTOO-UHFFFAOYSA-N	323.393	1.385	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)CCc2ccccc2O)n[nH]1	106287137	YMOLKLJIORNEBK-UHFFFAOYSA-N	316.361	1.633	50	20	DDGD	
CC[C@@H]1CCCN(CC(=O)NNC(=O)c2ccccc2)CC1	117345947	LSNAKZUVFUNQDI-CQSZACIVSA-N	303.406	1.960	50	20	DDGD	
C[C@H](Oc1cccnc1)C(=O)NNC(=O)CNc1ccccc1	117969817	OZKWCYGFJPJDRV-LBPRGKRZSA-N	314.345	1.108	50	20	DDGD	
CCCOCC(=O)NNC(=O)c1ccc(OCCC)c(OC)c1	65579781	WHCDGGAMPADXML-UHFFFAOYSA-N	324.377	1.672	50	20	DDGD	
O=C(NNC(=O)C1(O)CCC1)c1ccc(Br)s1	119525160	WZYLBDNEVLAKMO-UHFFFAOYSA-N	319.180	1.187	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCCC(=O)N(C)C	174256435	ANQONCQTWPFGEO-UHFFFAOYSA-N	314.817	1.337	50	20	DDGD	
Cc1ccncc1NC(=O)C(=O)NNc1c(F)cccc1F	119860818	BJMSIBRZCODIAC-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccn(C)n2)c(OC)c1	179420668	WEIFZEFFJKQMNV-XYOKQWHBSA-N	312.329	1.983	50	20	DDGD	
CO[C@@]1(C)C[C@H](NC(=O)NNC(=O)Cc2ccncc2)C1(C)C	177563810	DCBLFOBREGMFKY-LRDDRELGSA-N	320.393	1.158	50	20	DDGD	
CCCCCOCC(=O)NNc1nc2ccccc2c(=O)n1C	113186868	XKSMBUOZOWDIDC-UHFFFAOYSA-N	318.377	1.583	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCCOc1ccc(F)cc1	110761630	ZQNVRCOHBGYJCU-UHFFFAOYSA-N	320.324	1.477	50	20	DDGD	
Cc1ccnc(NNC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1	176755176	NXVQFGHOIYEPSN-RYUDHWBXSA-N	316.361	1.008	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)NCC(F)(F)F)cc1F	60415223	BTNWUJFZZDSPRO-UHFFFAOYSA-N	323.246	1.270	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)n1	65508413	DLVIZWZZNRKTLU-NWDGAFQWSA-N	317.324	1.807	50	20	DDGD	
CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NNc1ccncc1	180538176	MYINYYYDPDEDGQ-RVFSUOIPSA-N	320.418	1.783	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cnn(-c2ccccc2F)c1	122577935	LUGGZUCKYHVQRE-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNc2ccnc3ccccc23)C1	127047804	XYPSMFOLPMZGQZ-GFCCVEGCSA-N	312.373	1.936	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2nc3ccccc3c(=O)[nH]2)cc1O	188649129	RFGRVXGGOPEVJQ-UHFFFAOYSA-N	321.296	1.257	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1cnc(C(C)(C)C)nc1	184632352	XGSRXWPLTAYVJT-UHFFFAOYSA-N	316.365	1.579	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@@H](C)c2nccs2)n1	184272553	FJZZDVYJLYPGAB-MRVPVSSYSA-N	306.395	1.980	50	20	DDGD	
CN(C)c1ncccc1C(=O)NNc1nc(-c2ccccc2)no1	76461900	HMJGRCTXAGCGFX-UHFFFAOYSA-N	324.344	1.955	50	20	DDGD	
O=C(Cn1ccccc1=O)NNc1ccc([N+](=O)[O-])cc1Cl	125016217	GWWUEBROBXBYPP-UHFFFAOYSA-N	322.708	1.553	50	20	DDGD	
CC/C=C(\C)C(=O)NNc1c(OC)cccc1S(C)(=O)=O	186059187	UIEIXDABZCNPKJ-JXMROGBWSA-N	312.391	1.898	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccccn2)cc1C	72576433	XBAJDBZQWNLYQS-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1csc(-c2ccccn2)n1	195317750	HWYJIPQJOAUQRV-YRNVUSSQSA-N	320.399	1.961	50	20	DDGD	
CN1C[C@H](C(=O)NNc2ccc(OC(F)(F)F)cc2)CC1=O	134286795	AVRWRVLJMKRDKK-MRVPVSSYSA-N	317.267	1.507	50	20	DDGD	
CCc1ccc(-c2cc(C(=O)NNC=C(C#N)C#N)[nH]n2)cc1	130255269	WFIDDAXXQKMHSX-UHFFFAOYSA-N	306.329	1.805	50	20	DDGD	
NC(=O)NNC(=O)Nc1ccc(Br)cc1Cl	80582401	WDIIBAWERJDVAN-UHFFFAOYSA-N	307.535	1.807	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNC(=O)c1ccc(C)cc1O	92544420	ALBYRLZSSFAQBK-UHFFFAOYSA-N	302.334	1.071	50	20	DDGD	
Cc1ccc2nc(CNC(=O)NNC(=O)C3CCC3)cn2c1	264775971	OKEOXTMEDGHMMW-UHFFFAOYSA-N	301.350	1.273	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1CSCCS1	264552850	ZBCFWQXLNLLRFJ-NSHDSACASA-N	312.416	1.305	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)COc1ccc(C)cc1	265694167	ARZOZHYRPABYMM-UHFFFAOYSA-N	303.318	1.385	50	20	DDGD	
C#CCSCCNC(=O)NNC(=O)C(C)(C)c1ccccc1	265813696	WHQZJYLUESSZBY-UHFFFAOYSA-N	319.430	1.661	50	20	DDGD	
CC/C=C(\C)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1	264031806	MZPBUHGACROGEM-LFYBBSHMSA-N	317.393	1.197	50	20	DDGD	
CO[C@H](CNC(=O)NNc1ncnc2ccsc12)C(C)C	268857090	GYLZUQGYNVNTOP-SNVBAGLBSA-N	309.395	1.988	50	20	DDGD	
Cc1nccn1CCNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	264809667	BRTKYNVVLBYTMG-OVCLIPMQSA-N	322.372	1.434	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNC(=O)C1CCC1)c1nc(C2CC2)no1	264777530	OVQPDWKZWMVYMP-LLVKDONJSA-N	321.381	1.775	50	20	DDGD	
CCCc1ccc(N2C[C@H](C(=O)NN(C)C(N)=O)CC2=O)cc1	272247207	YOMJVBQIGKYAIV-GFCCVEGCSA-N	318.377	1.034	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2CCO[C@H](C(C)C)C2)n1	271813322	PBEQOPCTWISCAE-MNOVXSKESA-N	309.370	1.315	50	20	DDGD	
CC[C@@H]1C[C@H](CC(=O)NNc2cc(Cl)nc(N)n2)CCO1	273567138	XGZGGRLSBVRGHD-RKDXNWHRSA-N	313.789	1.751	50	20	DDGD	
CC1CCC2(CC1)OC[C@H](CNC(=O)NNc1ncccn1)O2	272061815	GLJGGYWXSQCHAH-AVERBVTBSA-N	321.381	1.425	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNC(=O)c1cccc2ncccc12	275807318	XXNLFCMVHLWRNO-UHFFFAOYSA-N	315.329	1.338	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@H](NC(=O)NNc2ccc(Cl)nn2)C1(C)C	271754944	AHFIWUIWLQMAIL-BKDNQFJXSA-N	313.789	1.816	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)/C=C/CN(C)C	270624032	DYYGJALRILAUKP-RMKNXTFCSA-N	323.418	1.053	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)C1CC1	273260434	PDNRNRZSWXWKIS-DDXVTDLHSA-N	311.382	1.403	50	20	DDGD	
CCC[C@H]1C[C@@H](C(=O)NNc2ccc(C(=O)OC)cn2)CCO1	272661830	HTRDCWSBEDFHLA-AAEUAGOBSA-N	321.377	1.907	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)CCCCOC)nc1C	272242036	XPLKZOLBPHJXJN-UHFFFAOYSA-N	310.354	1.222	50	20	DDGD	
COc1ccc2c(c1)OC[C@H](NC(=O)NNC(=O)C(C)(C)C)C2	271128490	LDYJYAPIEXLGBQ-LLVKDONJSA-N	321.377	1.375	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2	273369067	XKMZICFIAAHKOO-IUCAKERBSA-N	320.349	1.605	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@@H]2CNC[C@H]2C1	289814970	ANFOZLGQXDCEPF-OLZOCXBDSA-N	310.829	1.420	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H]1CC12CCOCC2	373942992	MLHAFXYOLNRLOI-LBPRGKRZSA-N	303.362	1.964	50	20	DDGD	
CC(C)n1ccc(NC(=O)NNC(=O)Cc2ccc(F)cc2)n1	280604163	XEVPCOKPNXGKST-UHFFFAOYSA-N	319.340	1.999	50	20	DDGD	
COC(=O)[C@H]1CC[C@H]1C(=O)NNc1cc(F)c(F)c(F)c1	285856948	UTZGRKLRBFBWMT-SFYZADRCSA-N	302.252	1.746	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C(C)(C)C2CC2)c1	287017918	HXVLEJFPYYRQLT-UHFFFAOYSA-N	305.378	1.691	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@H]32)n1	280837838	KHXBJVSFYRVMSI-NUEKZKHPSA-N	322.368	1.672	50	20	DDGD	
C[C@H](C(=O)NNC(=O)N1CCN(C)CC1)c1cccc(Cl)c1	287996793	OLXJBIQYDCVVKZ-NSHDSACASA-N	324.812	1.432	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@@H]2COc3ccccc32)n1	289374939	JZWCVKWJZMHLFB-LLVKDONJSA-N	314.345	1.893	50	20	DDGD	
CSCCONC(=O)NNC(=O)Nc1cc(F)cc(F)c1	296669731	ANELFTHXTFRVTE-UHFFFAOYSA-N	320.321	1.595	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc(-c3ccccc3)no2)O1	293822646	FMDLEOAOZVMANK-GWCFXTLKSA-N	315.329	1.670	50	20	DDGD	
O=C(NCc1cc2ccccc2[nH]1)NNC(=O)[C@H]1CCCCO1	297149206	IQNBPQQROIZSGZ-CQSZACIVSA-N	316.361	1.567	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CCCCN2C)cc1	802052974	YJWOQWGINFAKON-ZDUSSCGKSA-N	306.366	1.332	50	20	DDGD	
COC(C)(C)CC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802096502	SOAUPAVGFIDTKY-UHFFFAOYSA-N	309.322	1.383	50	20	DDGD	
O=C(NNc1ncccc1F)c1cnn(-c2ccc(F)cc2)n1	804219913	TUNRKSCUKYGLSY-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1	297231658	YJXMZDMHSNZJKS-CYBMUJFWSA-N	320.368	1.133	50	20	DDGD	
NC1(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)CCC1	296706311	ILDZIWAPQQRLSG-UHFFFAOYSA-N	307.741	1.715	50	20	DDGD	
CCCNC(=O)/C(C#N)=C/c1cccc(OCCC(=O)O)c1	299306652	FJTVWOMPCIOOSL-UKTHLTGXSA-N	302.330	1.973	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)[C@@H]1CCCO1)Cc1cccs1	293202843	ZJSAFNISXHILHG-PWSUYJOCSA-N	311.407	1.436	50	20	DDGD	
Cc1ccccc1OCCNC(=O)NNC(=O)[C@H]1CCCCO1	296241083	GELPXCFSYPBICF-CQSZACIVSA-N	321.377	1.273	50	20	DDGD	
COc1cccc(NNC(=O)NCCc2scnc2C)n1	297249893	XDMGMEMTPVGOGL-UHFFFAOYSA-N	307.379	1.724	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNC(=O)CCc1ccc(OC)cc1	292671322	MAWVYCLVHZPORP-MRXNPFEDSA-N	308.378	1.326	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C(N)=O)[C@H](C)c1ccccc1	293594944	AKNHZKBLJNIQDS-UPWKVFPISA-N	301.346	1.204	50	20	DDGD	
CCc1c(C(=O)NNc2ccc(C(=O)OC)cn2)ccn1C	291546046	YFHXCDKNQSIZLV-UHFFFAOYSA-N	302.334	1.526	50	20	DDGD	
COc1ccccc1[C@@H](C)CC(=O)NNC(=O)[C@H]1CCCCO1	295571068	NPRLAKHVSVFEPP-SWLSCSKDSA-N	320.389	1.905	50	20	DDGD	
COC[C@@H](NC(=O)NNc1cccc(Cl)n1)[C@@H]1CCCO1	293356247	MDAPODFKVKJETN-ZJUUUORDSA-N	314.773	1.555	50	20	DDGD	
CC(=NNC(=O)Cc1cccnc1)c1cnnn1-c1ccccc1	807970412	IYOXIVTVDUKLBM-UHFFFAOYSA-N	320.356	1.745	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCc2cccnc21)[C@H]1CCCCO1	295292123	DLCDLHYPTOTVFF-CHWSQXEVSA-N	303.362	1.218	50	20	DDGD	
COc1ccc(OCCCNC(=O)NNc2ccncn2)cc1	296160915	AIIIDIFEXNVAAI-UHFFFAOYSA-N	317.349	1.580	50	20	DDGD	
CC(C)(C)Oc1cccc(CCC(=O)NNc2nnc[nH]2)n1	298561680	ZMWLIYWVUIWOCE-UHFFFAOYSA-N	304.354	1.453	50	20	DDGD	
Cn1nnc2c(C(=O)NNc3cc(F)c(F)c(F)c3)ccnc21	801177206	KFLZKVFPLNAKQC-UHFFFAOYSA-N	322.250	1.538	50	20	DDGD	
CC(=O)N1c2ccccc2C[C@H]1C(=O)NNc1ncncc1F	817082447	VZPPJIIUAGPAOC-ZDUSSCGKSA-N	315.308	1.037	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1O)c1cn(C)c(C)n1	814953755	NZYYUDVDWPHOLU-UHFFFAOYSA-N	302.334	1.353	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCc2c(O)cccc21)c1ccnnc1	817693099	ISNUVYAHRSOROM-CYBMUJFWSA-N	312.329	1.063	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)COc1ccc(C)c(C)c1)C1CC1	812445607	UMLORVIKLAKRLA-KRWDZBQOSA-N	320.389	1.645	50	20	DDGD	
CC(=NNC(=O)NCC1CC1)c1cccc(O[C@H](C)C(=O)O)c1	814818368	PBTZTQSCRVYYSC-LLVKDONJSA-N	319.361	1.972	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)[C@H]1CCCSC1	810355823	JMGYHBGFEHTTPL-LBPRGKRZSA-N	308.403	1.615	50	20	DDGD	
O=C(O)C1CCC(=NNC(=O)[C@H]2Cc3ccccc3O2)CC1	814826272	SJUHCSWIQJFPLV-LNUXAPHWSA-N	302.330	1.737	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cn1	728797029	VPTXVUIDFMDWKQ-UHFFFAOYSA-N	310.269	1.046	50	20	DDGD	
CC(CCn1cccn1)=NNC(=O)c1cccc(-c2nn[nH]n2)c1	824413019	IKCZGPLBHSNIAP-UHFFFAOYSA-N	324.348	1.259	50	20	DDGD	
CC[C@@H](C)[C@H](NC(=O)NNC(=O)c1cc[nH]n1)C(F)(F)F	822983010	VKZGMTIBTJMBJZ-SVRRBLITSA-N	307.276	1.331	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)/C=C/[C@H]2CCOC2)c(F)c1	493594786	HLDZFQWHELXPET-FWYAXHSGSA-N	308.309	1.648	50	20	DDGD	
O=C(NN=Cc1nc(-c2ccccc2)no1)N1CCOCC1	726420690	SRMIKQQXRGKAMK-UHFFFAOYSA-N	301.306	1.112	50	20	DDGD	
O=C(/C=C\c1ccc[nH]1)NNC(=O)Cn1ccc2ccccc21	491970924	FGDLYJBJBSZTSA-FPLPWBNLSA-N	308.341	1.830	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@@H]1C[C@H]1C1CC1	826445182	JYRJWSGARTXVPD-DTWKUNHWSA-N	319.756	1.404	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)CCNC(=O)OC(C)(C)C	491119807	XVBDMLQAYBDYDR-UHFFFAOYSA-N	301.387	1.485	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1cccnc1	824039370	FAPRCYMEKOZKJF-SNVBAGLBSA-N	309.333	1.509	50	20	DDGD	
CC(C)(C)NC(=O)N1CCC(NS(=O)(=O)CCl)CC1	820795505	GQNCJNLNOFGOCY-UHFFFAOYSA-N	311.835	1.075	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1ccc(C(=O)O)cc1	821377520	KQNOLGOJABKQJT-UHFFFAOYSA-N	312.325	1.779	50	20	DDGD	
COC(=O)NNC(=O)c1nn(-c2ccc(F)cc2C)cc1O	495449291	VYQOYDTZNBQTOU-UHFFFAOYSA-N	308.269	1.026	50	20	DDGD	
CCn1cc(C(=O)N2CC[C@@H](B(O)O)C2)c(-c2ccccc2)n1	902552475	MTKZMJRUVOSTIK-CYBMUJFWSA-N	313.166	1.259	50	20	DDGD	
Cc1ncsc1CN(C)[C@@H](C)C(=O)NNC(=O)CC(C)C	732202972	KIWSJEIEOIFNNQ-NSHDSACASA-N	312.439	1.465	50	20	DDGD	
C[C@@]1(C(=O)NCc2nc3cccnc3[nH]2)C[C@H]1Br	907649009	VJOBRNCSHOUDSJ-PRHODGIISA-N	309.167	1.748	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)N[C@H]2C=CCC2)cc1	821092878	RJLGJUACCJCHAT-NSHDSACASA-N	305.334	1.123	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(OCc2ccccc2)nc1	495408236	QBWOPQOBMFVEGQ-UHFFFAOYSA-N	301.302	1.661	50	20	DDGD	
COc1ccc(NNC(=O)/C=C/[C@@H]2CCOC2)c([N+](=O)[O-])c1	493549153	HBLJZMGWGAVSMV-JYBNPQIESA-N	307.306	1.639	50	20	DDGD	
CC(C)[C@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C1(CO)CCC1	491161389	OEWBWAGTMYUFAS-LULHVWEPSA-N	316.405	1.630	50	20	DDGD	
CN(CCCC(=O)NNC(=O)CCc1ccccc1)C(=O)O	737426417	DZQBMTAXRWJIAW-UHFFFAOYSA-N	307.350	1.157	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccnc(N2CCCCC2)n1	739726350	AUWLVGSUGYWLDX-UHFFFAOYSA-N	303.366	1.028	50	20	DDGD	
Cc1ncc2c(n1)CCC[C@@H]2NC(=O)NNC(=O)OC(C)(C)C	734950132	JOTBISILIWWVOH-LBPRGKRZSA-N	321.381	1.901	50	20	DDGD	
NC(=O)NN=Cc1ccc(OCc2occc2C(=O)O)cc1	730945801	RLLOZVCWUDNHBG-UHFFFAOYSA-N	303.274	1.559	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(F)ccc1F	730576646	JOYAWTPEGOEODA-SECBINFHSA-N	316.329	1.240	50	20	DDGD	
O=C(NC[C@@H]1COCCO1)NNc1cc(C(F)(F)F)ccn1	836245099	ILCQODIZUNGOOR-SECBINFHSA-N	320.271	1.142	50	20	DDGD	
CN(C)C(=O)NCc1cn(/C(Cl)=C\CBr)nn1	900546074	KIIDGPDJQYNXTN-BAQGIRSFSA-N	322.594	1.481	50	20	DDGD	
Cc1nc(-c2ccco2)ccc1C(=O)N1CC[C@H](B(O)O)C1	585069934	RWZMVYIAXXCMPD-NSHDSACASA-N	300.123	1.339	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H]1CC(c2ccccc2C)=NO1	907252521	IAXQSOYJAVLUPD-CYBMUJFWSA-N	304.350	1.181	50	20	DDGD	
C[C@@H]1CCCCN1C(=O)COC(=O)/C(C#N)=C\c1cnn(C)c1	837969915	VBLKEJBEQWBXAX-AISSWFOISA-N	316.361	1.271	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1cc(F)ccc1OC(C)C	901827186	LZXBCTKPCMQBBV-UHFFFAOYSA-N	304.343	1.332	50	20	DDGD	
O=C(Nc1ccccc1CN1CCCC1)c1cccc(B(O)O)c1	584929904	VLDJHCVDSDPNFL-UHFFFAOYSA-N	324.189	1.215	50	20	DDGD	
OB(O)c1ccc(CNCCCCCOC2CCCCC2)cc1	585020258	QPNFFLFWCLPLLX-UHFFFAOYSA-N	319.254	1.976	50	20	DDGD	
O=C(NNC(=O)C1(C2CCCCC2)CC1)C(=O)N1CCCC1	906469884	GPWJPXDXQKWRIX-UHFFFAOYSA-N	307.394	1.117	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NNc1c(C)cccc1Cl	836933456	DGSRRSCASHZGSU-UHFFFAOYSA-N	304.799	1.916	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)Cc1ccc2ccccc2c1	732528747	WYVGDCZSQGBYBW-UHFFFAOYSA-N	318.398	1.919	50	20	DDGD	
O=C1CCCCN1c1cccc(NCc2cccc(B(O)O)c2)c1	585011688	BDGYLNDPUBQUFE-UHFFFAOYSA-N	324.189	1.495	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1	831005527	LXOLJLVAVNMWPT-KCTHJMFYSA-N	319.449	1.712	50	20	DDGD	
CCO[C@H](CCNCc1cccc(B(O)O)c1)C1CCCC1	585026735	QZCHDADOAKSXHT-QGZVFWFLSA-N	305.227	1.441	50	20	DDGD	
O=C(CSc1ccc2c(c1)OCCO2)NNC(=O)C1CCC1	732143106	RTXALVMFPOJLCV-UHFFFAOYSA-N	322.386	1.497	50	20	DDGD	
CCn1nc(C)c(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1C	831605569	GJQQMAMGQKOLKJ-WDEREUQCSA-N	309.370	1.098	50	20	DDGD	
O=C(C[C@H]1OCCc2ccccc21)NNC(=O)CC(F)(F)F	734547800	PMDARMLHNJZDRU-LLVKDONJSA-N	316.279	1.790	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1c(Cl)cccc1Cl	839645324	YZIAEEZCMLUVCE-SVGQVSJJSA-N	318.116	1.420	50	20	DDGD	
COc1cccc(N(CC(=O)NNC(=O)C2CC2)CC(C)C)c1	733194906	VNLIVLHWIRZQFR-UHFFFAOYSA-N	319.405	1.715	50	20	DDGD	
CCN1CCc2c(cccc2NCc2cccc(B(O)O)c2)C1	585034496	PYFYNLKPYOYYKH-UHFFFAOYSA-N	310.206	1.357	50	20	DDGD	
CN(C)C(=O)Nc1cccc(C(=O)NNC(=O)c2ccc[nH]2)c1	739684638	ONBSODKVTYUWNK-UHFFFAOYSA-N	315.333	1.183	50	20	DDGD	
CN(C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)CCl	830236235	WINIDWWAUMFVGD-UHFFFAOYSA-N	315.826	1.448	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cccc(Br)c1O	730273004	NWTRZLDUMRJZGS-UHFFFAOYSA-N	301.140	1.572	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNC(=O)c1cccc(Cl)c1	839455167	DIUUYNXOCHLRCA-LLVKDONJSA-N	311.769	1.249	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C1CCCC1)C(=O)Nc1ccccc1	732592583	PVWNIPVUNAVHPF-LLVKDONJSA-N	318.377	1.534	50	20	DDGD	
O=S(=O)(CCl)N(Cc1ccccc1O)C[C@@H]1CCCO1	830599010	FGBBLHYPIHSCEV-LBPRGKRZSA-N	319.810	1.899	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)[C@@H]1CCN(Cc2ccccc2)C1	833385243	UEHBWRAJARRZQK-CQSZACIVSA-N	318.377	1.268	50	20	DDGD	
CCC[C@H](C(=O)NNc1c(F)cccc1Cl)S(N)(=O)=O	832357928	UIIWFWIQZQNPKY-SECBINFHSA-N	323.777	1.379	50	20	DDGD	
CC(C)OCCCNC(=O)/C(C#N)=C/c1cnn(C)c1Cl	834412825	SQYCAGBOECCEOE-YRNVUSSQSA-N	310.785	1.912	50	20	DDGD	
CC1(C(=O)NNC(=O)c2cc(Br)c[nH]2)CCC1	749872879	CEYNMWJEJHYENR-UHFFFAOYSA-N	300.156	1.728	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NN=C2CCS(=O)(=O)C2)c1C	912797900	OWEXROMATGTRNJ-GFCCVEGCSA-N	324.402	1.361	50	20	DDGD	
CC(C)CC(=O)N[C@H](C(=O)NN(C)C[C@@H](C)O)c1ccccc1	910163389	BPQKDKBQLUGUSK-CJNGLKHVSA-N	321.421	1.234	50	20	DDGD	
NC1(CNC(=O)NNC(=O)c2cccc3ncccc23)CCC1	841966441	DKXWGGKPHUSQDJ-UHFFFAOYSA-N	313.361	1.060	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1cccc(O)c1O	916364312	IZQJIAAKNXCYED-GFCCVEGCSA-N	305.378	1.670	50	20	DDGD	
CC(C)(C)CCCNC(=O)NNC(=O)COc1ccccc1O	740061914	JLWFKHQPNDLJJE-UHFFFAOYSA-N	323.393	1.928	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N1C[C@@H](C)C[C@H]1C	740902723	FWARTWFHQRQCQS-WDEREUQCSA-N	315.377	1.727	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc3c(c2)CC(C)(C)O3)n[nH]1	843842274	MMNVNXZNNJOWOO-UHFFFAOYSA-N	314.345	1.506	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)Cc2csc(C)n2)[nH]1	747629017	YXIUNTINIOFEGF-UHFFFAOYSA-N	306.347	1.259	50	20	DDGD	
Cc1ncccc1C=NNC(=O)c1cc([N+](=O)[O-])ccc1O	741774048	UGFXORVRLFTXKO-UHFFFAOYSA-N	300.274	1.768	50	20	DDGD	
CC[C@H](CC1CCCCC1)C(=O)NNC(=O)CN1CCCC1=O	913731084	UDKLWDVJKFRHIZ-CQSZACIVSA-N	323.437	1.753	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H](C)Cc1ccc(OCC)cc1	840238481	ZAJIWMWZFKLWAH-GFCCVEGCSA-N	321.446	1.945	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CCCCN1C(=O)c1ccco1	918414297	DRXNOZFTTPPCGC-NSHDSACASA-N	307.350	1.078	50	20	DDGD	
Cc1ncsc1C=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1	743429663	WKGNKIWTNKXZCV-SDDRHHMPSA-N	324.450	1.647	50	20	DDGD	
CS(=O)(=O)[C@H]1CCN(C(=O)c2cccc(CCl)c2)C1	1338995443	IJPDPCGASVBJEY-LBPRGKRZSA-N	301.795	1.685	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H]2SCCc3sccc32)nc1O	743296165	WGFABEZZWIZMAT-SECBINFHSA-N	323.403	1.421	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc(/C=C/C(=O)OC)o1	848638102	BYGCRCJJLKRKBC-PBDTWZTKSA-N	318.329	1.525	50	20	DDGD	
C[C@H](Sc1ccccn1)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843980580	UXLZEZGQTDASDR-VWYCJHECSA-N	309.391	1.135	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(C)CCCNC(=O)OC(C)(C)C	746515384	QFHWYWBYLZKLEH-VAWYXSNFSA-N	311.382	1.804	50	20	DDGD	
Cc1cc(/C=C(/C#N)C(=O)OCCO)c(C)n1C[C@H]1CCCO1	912618331	PQUWZZKDGTZTNJ-QOBZYLRHSA-N	318.373	1.726	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)Cc1ccc(F)c(Br)c1	910170003	IIIARLRPIYQKIW-MRVPVSSYSA-N	319.174	1.475	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)[C@@H]1CC12CCOCC2	748848485	LHTUCZQKXRJOBR-NSHDSACASA-N	315.333	1.391	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)C[C@@H]1CCOC1	740084377	XQOUSGDWTXZSPA-AWEZNQCLSA-N	312.369	1.956	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@H]2CCCCN2C)cc1	846371967	LTUVTVMIECHPHR-CQSZACIVSA-N	305.378	1.330	50	20	DDGD	
O=C(CN1CCCNC1=O)NNc1ccc(Cl)cc1Cl	748009659	QTNLEGNCHCLIDE-UHFFFAOYSA-N	317.176	1.852	50	20	DDGD	
CC(=O)c1ccc(CC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	843646923	ROMPWDJOXXYXCY-FZMZJTMJSA-N	304.346	1.004	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CCC(=O)C1	843756213	UWPIQTNQZYKCGV-NXEZZACHSA-N	308.309	1.110	50	20	DDGD	
CCc1nnc(S[C@H](C)C(=O)NNC(=O)CC(C)C)s1	849973351	YZJPSMVLHMLHFQ-MRVPVSSYSA-N	316.452	1.775	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Cc1n[nH]c2ccccc12	920274923	IYUOSOAEQGDFJK-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
CN1CC[C@@H]1CNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	928560458	VVMKFGAQVVDRKG-SRRSOLGSSA-N	301.228	1.760	50	20	DDGD	
N#CCc1ccc(NC(=O)NNC(=O)CC(F)(F)F)cc1	755536834	UPMXQRMTWVRNOB-UHFFFAOYSA-N	300.240	1.858	50	20	DDGD	
CCC[C@H](O)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	929351089	LJROWXYCIFSYTR-JTQLQIEISA-N	305.161	1.915	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cc2cn(C)nc2C)c1C	855624930	XBOYALZBZQZEMS-UHFFFAOYSA-N	316.361	1.509	50	20	DDGD	
O=C(NC[C@H](O)Cc1ccccc1)NNC(=O)C1CCCC1	753353673	AOPHMWSYKMLCFQ-CQSZACIVSA-N	305.378	1.111	50	20	DDGD	
O=C(NCC1SCCS1)NNC(=O)c1ccccc1F	852286305	CJUSNPRQFFQUII-UHFFFAOYSA-N	315.395	1.576	50	20	DDGD	
CC[C@H](C)CCNC(=O)NNC(=O)COc1ccccc1OC	851914678	BESUJQABJQECRJ-LBPRGKRZSA-N	323.393	1.841	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H](C)c2ccn(C)n2)c1	858536633	IYSPTYOLVUDTTK-VIFPVBQESA-N	307.379	1.495	50	20	DDGD	
Cc1cnc(COCC(=O)NC[C@@]2(C)C[C@H]2Br)o1	857387001	BVQXBFWHPADYQX-BXKDBHETSA-N	317.183	1.789	50	20	DDGD	
Cc1cccc(NNC(=O)NCc2cc(C3CC3)nn2C)n1	927600853	IGVKIVGJEXECMX-UHFFFAOYSA-N	300.366	1.827	50	20	DDGD	
CC[C@]1(C)CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C1	758742223	VMBSMAGXBATKHJ-QGZVFWFLSA-N	314.389	1.441	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H](CC(=O)NNc1cnccn1)C1CC1	753416898	PYSMCSKRIKTXNS-LLVKDONJSA-N	321.381	1.613	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@H]1CCCC[C@H]1C	854285991	KVFYKMXZXUGSNL-NEPJUHHUSA-N	301.456	1.687	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cc(C(=O)OC)ccc1F	929680934	SFDXITPOZKIOTG-UHFFFAOYSA-N	321.308	1.569	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)c1ccc2ccccc2n1)C1CC1	858090933	SSABATUPENZWML-HNNXBMFYSA-N	313.357	1.811	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)c2cc[nH]n2)c(OC)c1	855356064	LAOHQSYNDOQMBS-UHFFFAOYSA-N	318.333	1.282	50	20	DDGD	
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@]1(C)C[C@H]1Br	856752932	NLQPOJUTUKLAHB-OPRDCNLKSA-N	324.244	1.228	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNC(=O)CCOc1ccccc1	858918966	YDONCFLXGACWGW-AWEZNQCLSA-N	308.378	1.808	50	20	DDGD	
C[C@@H]1CCCC[C@H]1CC(=O)NNC(=O)CNC(=O)c1ccco1	751203946	UDUFGUIUXIHAAM-NEPJUHHUSA-N	321.377	1.373	50	20	DDGD	
COc1cccc([C@H](OC)C(=O)NNC(=O)CC(C)(C)C)c1	857115850	QTDWFUAKGTTWPK-AWEZNQCLSA-N	308.378	1.966	50	20	DDGD	
O=C(NNC(=O)N1CCC([C@@H]2CCOC2)CC1)C1CCCC1	753333807	BSYAVPBMZQJORJ-CQSZACIVSA-N	309.410	1.666	50	20	DDGD	
CCCN(CC)c1ccc(C(=O)NNc2cnnn2C)cn1	857271368	KBGKSBSIBQXCSS-UHFFFAOYSA-N	303.370	1.203	50	20	DDGD	
C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NNC(=O)c1cc[nH]n1	855359439	ROQILDDSROSDOJ-JTQLQIEISA-N	314.345	1.127	50	20	DDGD	
COC[C@H](NC(=O)NNc1cc(F)ccc1C)[C@H]1CCCO1	854028808	WKBUNTSPERLBHI-UONOGXRCSA-N	311.357	1.954	50	20	DDGD	
C#CCN(CC(=O)NNC(=O)Cc1ccccc1C)C(C)C	932388418	JLFCRAMKEORNEP-UHFFFAOYSA-N	301.390	1.029	50	20	DDGD	
CSCC1(CCNC(=O)NNC(=O)[C@@H]2CCCCO2)CC1	852503929	VMRCVEVJUKBXCK-NSHDSACASA-N	315.439	1.419	50	20	DDGD	
C[C@@H](CC(=O)NNC(=S)N[C@@H](C)C1CC1)c1ccncc1	855099034	QCWVKVKXLSGDJP-QWRGUYRKSA-N	306.435	1.869	50	20	DDGD	
CC(C)(F)CCNC(=O)NNc1ccc(-n2ccnc2)nn1	852552256	OQSLNJIYYDHAJW-UHFFFAOYSA-N	307.333	1.427	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)C[C@@H]1C=CCCC1	855834143	ZYPRUQOVRMEAQV-CYBMUJFWSA-N	323.437	1.823	50	20	DDGD	
Cc1ccc2ncc(C(=O)NN[C@H](C)C(F)(F)F)c(=O)n2c1	862308068	XDOWWAFAIBCXQZ-MRVPVSSYSA-N	314.267	1.188	50	20	DDGD	
Cc1cc(CC(=O)NN=C/C=C/c2ccccc2[N+](=O)[O-])n[nH]1	767396266	NMBFHLCBLOTAFB-JRKOTLHCSA-N	313.317	1.984	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccccc1COC1CCOCC1	767823258	SRJUKVYTNXEWRB-UHFFFAOYSA-N	320.389	1.799	50	20	DDGD	
O=C(NNc1nccc(N2CCOCC2)n1)[C@@H]1CC12CCCC2	762853554	UCHDWGCGJQBOMA-LBPRGKRZSA-N	317.393	1.337	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCOCC(F)(F)C(F)F	764833451	CMVBLAWBKUIXBM-UHFFFAOYSA-N	324.278	1.933	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(CNC(=O)NNc2ccccn2)C1	762612948	GHZLKEKWZPDPDL-UHFFFAOYSA-N	321.381	1.575	50	20	DDGD	
CC(C)(NC(=O)C(F)(F)F)C(=O)NNc1cccc(C#N)c1	760460049	MLSVCUGXSZFAKP-UHFFFAOYSA-N	314.267	1.458	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)nc1)C(=O)Nc1ccsc1	764099652	BUXQWSQNMOKURJ-UHFFFAOYSA-N	324.749	1.196	50	20	DDGD	
COCc1nc(C)c(C(=O)NNc2ncccc2[N+](=O)[O-])s1	760163890	OFXPBJZBXJKDJJ-UHFFFAOYSA-N	323.334	1.658	50	20	DDGD	
COCCCNC(=O)NN=C1CCCOc2ccc(OC)cc21	763164779	ZNRLMXLDLUMQST-UHFFFAOYSA-N	321.377	1.908	50	20	DDGD	
Cc1nc([C@H]2CCOC2)sc1C(=O)NNC(=O)CC1CC1	868589785	KSWFSWNLLCPHSB-JTQLQIEISA-N	309.391	1.517	50	20	DDGD	
Cc1ccc(OCCCC(=O)NNC(=O)c2cn[nH]c2)cc1	862474616	WJXJXLXGWPXIHB-UHFFFAOYSA-N	302.334	1.338	50	20	DDGD	
CO[C@]1(CNC(=O)NNc2ncnc3ccsc23)CCOC1	763714335	UGAZXAMKTOHQNH-ZDUSSCGKSA-N	323.378	1.123	50	20	DDGD	
C[C@H]1CN(C(=O)OC(C)(C)C)CC1=NNC(=O)c1cccn1C	863077143	FLFOVNFPFKJQCU-NSHDSACASA-N	320.393	1.998	50	20	DDGD	
CCCCCC[C@@](C)(CC)C(=O)NNC(=O)CS(C)(=O)=O	863462932	OJXAJRCFVHJMAK-CQSZACIVSA-N	320.455	1.565	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2c(Cl)cccc2Cl)CN1	763611961	AYBFBBUPGBZTLL-SSDOTTSWSA-N	302.161	1.963	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(OCC(F)(F)F)cn1	765260804	UZFXTCVYELQIHO-UHFFFAOYSA-N	320.271	1.377	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CCC[C@@H](O)c1ccccc1	1118605778	SJGHOFCBUWWOAF-CYBMUJFWSA-N	309.435	1.794	50	20	DDGD	
Cc1ccc(C=NNC(=O)c2cccc(S(C)(=O)=O)c2)nc1	761805755	JTFAMEWNPSJURL-UHFFFAOYSA-N	317.370	1.557	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cnn(C2CCCC2)c1	872340007	IVHHMIHLJYQXLH-JTQLQIEISA-N	314.411	1.354	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)NC1(C(F)(F)F)CCC1	879379896	FBVIBEQDJGGNIX-MRVPVSSYSA-N	309.288	1.371	50	20	DDGD	
COCc1nc(C(=O)NNc2cccc(C(F)(F)F)c2)no1	775402558	HBGYMPFMPYAYQB-UHFFFAOYSA-N	316.239	1.992	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc(F)c1	771890798	QVLCWDFSJRQIGB-JTQLQIEISA-N	310.325	1.565	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1cccc(Cn2cccn2)c1	875132090	XITRIHFVLLDEHI-UHFFFAOYSA-N	317.349	1.344	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cnc2ccsc2c1	772157377	CMIOEEUFCFVQKU-MRVPVSSYSA-N	321.358	1.399	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNC(=O)C1CCOCC1	1119344762	UJJHIRZWKSNUHF-VIFPVBQESA-N	308.382	1.094	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1cscc1Cl	771885395	SPKFEMIXSQGVDP-SNVBAGLBSA-N	315.826	1.820	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)OC[C@@H](C)CBr)C1	770329239	BCOFDADEHALPMW-ONGXEEELSA-N	306.200	1.819	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccnc(OC(C)C)c1	778714569	VYOPEYBPXMJFMR-SNVBAGLBSA-N	322.365	1.001	50	20	DDGD	
Cc1cnn(CC(=O)NNc2ccnc(Br)c2)c1	771546278	AKRLUZRWQGKRKL-UHFFFAOYSA-N	310.155	1.492	50	20	DDGD	
CCOc1nc(C(=O)NNC(=O)c2cc3ccccc3o2)co1	773267425	QUKAKMRHZCOQAV-UHFFFAOYSA-N	315.285	1.894	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2cc3c(s2)CCC3)n(C)n1	873792525	JHPWSKWOTMTCSN-UHFFFAOYSA-N	318.402	1.608	50	20	DDGD	
CCS(=O)(=O)C1CCN(C[C@H](C)CBr)CC1	770033735	DSCOYDMVTKJGSZ-SNVBAGLBSA-N	312.273	1.917	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1ccc(OC)nn1	773627803	ZWALAMJEMZKNBC-UHFFFAOYSA-N	320.280	1.168	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1c[nH]nc1-c1ccc(F)cc1	779815796	AVBITDCDUYXTSV-UHFFFAOYSA-N	319.296	1.022	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)CCn1ccnn1	774191135	VTPMOJQSIUARTM-UHFFFAOYSA-N	309.761	1.378	50	20	DDGD	
COCCOCC(=O)NN=C1CCOc2c(F)cc(F)cc21	872403450	UMVVTZQECOGKSV-UHFFFAOYSA-N	314.288	1.231	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)c1ccccc1F	772111086	RCFYAHAAAKADES-NXEZZACHSA-N	310.325	1.418	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccn(Cc3ccccc3)n2)n[nH]1	773537616	UIVFYQLAHSLCPT-UHFFFAOYSA-N	324.344	1.038	50	20	DDGD	
Cc1cc(C(=O)NNc2ccnc(Br)c2)n(C)n1	771537121	FURYSSUFDJYMIK-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
CO[C@]1(C)C[C@H](NC(=O)NNc2ccc(C#N)cn2)C1(C)C	888448416	PQIMUUZTRZTSID-XHDPSFHLSA-N	303.366	1.783	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1ccc(C#N)c(Cl)c1	779839217	HOHHLCKJMZSJNN-UHFFFAOYSA-N	308.769	1.961	50	20	DDGD	
Cc1ccccc1C[C@H](C)NC(=O)NNC(=O)c1cccnn1	883155778	SMRNRHIJHIJXOC-LBPRGKRZSA-N	313.361	1.360	50	20	DDGD	
CNc1nnc(CC(=O)NNc2nccnc2C(C)C)s1	772859604	FFQWJJXGNCIGGS-UHFFFAOYSA-N	307.383	1.179	50	20	DDGD	
C[C@@H](CCc1cccn1C)NC(=O)NNC(=O)C1CCOCC1	883466295	JQPNDZIWKMTUKO-LBPRGKRZSA-N	322.409	1.103	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1C[C@@H]2CCNC[C@@H]2C1	1122302160	ROZHMUYFNPLKMG-AXFHLTTASA-N	303.244	1.864	50	20	DDGD	
CCSc1cc(C(=O)NNC(=O)C2CCOCC2)ccn1	883061604	ABGIWXDVEJKXBX-UHFFFAOYSA-N	309.391	1.381	50	20	DDGD	
COc1ccc(CN(C)S(=O)(=O)CCCCl)cc1O	881914930	FTFZRGZHKBKBPT-UHFFFAOYSA-N	307.799	1.791	50	20	DDGD	
NC(=O)NCCCCC(=O)NNc1ccc(F)cc1Cl	885135727	LVSOQMBZVHQTOM-UHFFFAOYSA-N	302.737	1.761	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@H]1C[C@H]1Cc1ccccc1	883494049	ZKHHUNDXJSVTQX-CABCVRRESA-N	317.389	1.375	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H](C)[C@@H]2CCOC2)c1	780835656	WPQVTZFCRQKVHF-CMPLNLGQSA-N	307.350	1.524	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1ccc(N2CCNC2=O)cc1	887272245	KJFAKOBTTDFQIA-ACCUITESSA-N	314.345	1.276	50	20	DDGD	
COc1cc(C#N)ccc1NC(=O)C(=O)NN(C)c1ccccc1	783431989	MVDDKQZKXRTFRX-UHFFFAOYSA-N	324.340	1.673	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCCN2CCC(C)(C)C2)cn1	890068654	ABUYIWLPQXKKAD-ZSOIEALJSA-N	301.394	1.175	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cnc(C(F)(F)F)nc1	781818996	UQNGUMAIIXQRQV-UHFFFAOYSA-N	318.646	1.696	50	20	DDGD	
CC(C)(C)CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1	787154519	VXDCNYHWBGPLBW-LLVKDONJSA-N	315.439	1.675	50	20	DDGD	
Cc1ccn2c(=O)cc(COC(=O)/C(C#N)=C/C3CC3)nc2c1	786678570	QZQDSTRGZWLJHF-NTUHNPAUSA-N	309.325	1.906	50	20	DDGD	
C[C@H](OC[C@H]1CCCCO1)C(=O)NNc1ncncc1Cl	781826557	XSIAFHWHIJCSFD-VHSXEESVSA-N	314.773	1.547	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)CCCCCl)C[C@H](C(F)(F)F)O1	780804544	MURWZIKSGJNHPX-RKDXNWHRSA-N	323.764	1.987	50	20	DDGD	
COc1cc(C(=O)NNC(=O)NC2CC2)cc(OC)c1C(C)C	781310125	LKQFWXTVDVPMBD-UHFFFAOYSA-N	321.377	1.934	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CC[C@H]1CCCCO1	790066125	YIITWCOAPPXVTG-GFCCVEGCSA-N	316.398	1.272	50	20	DDGD	
Cn1cc2c(n1)CCC[C@H]2C(=O)NNc1ncccc1[N+](=O)[O-]	799101060	FEGFTAYACRNBJL-SECBINFHSA-N	316.321	1.287	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2cccc(C)n2)cn1C	794568213	PLPCPPGJBUHBAY-UHFFFAOYSA-N	300.318	1.279	50	20	DDGD	
N#CC1(CNC(=O)NNC(=O)c2cc3c(s2)CCC3)CC1	797580890	HFRPZBDDWVSABR-UHFFFAOYSA-N	304.375	1.485	50	20	DDGD	
O=C(NNC(=O)c1ccc(OCC2CC2)nc1)c1ccncc1	1318221554	OLTTYURXXWRATK-UHFFFAOYSA-N	312.329	1.340	50	20	DDGD	
O=C(Cc1ccoc1)NNC(=O)c1cncn1-c1ccccc1	1320492130	PMLQFFKVJQOSII-UHFFFAOYSA-N	310.313	1.469	50	20	DDGD	
CN(C)c1ncccc1C=NNC(=O)c1ccc(Cl)nc1	1325250976	UYAQNUGSWVOSAZ-UHFFFAOYSA-N	303.753	1.960	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(C(=O)OC)c(F)c2)nn1C	1324635308	IMAQHIMJXVCIAN-UHFFFAOYSA-N	320.324	1.665	50	20	DDGD	
O=C(NNC(=O)c1cc[nH]n1)Nc1ccn(C2CCCCC2)n1	1330791245	FJRMCDYNCNTLIV-UHFFFAOYSA-N	317.353	1.578	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C[C@@H](C)O2	1336678775	JNKITLLSASZGHP-SNVBAGLBSA-N	319.361	1.142	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](C(=O)NNC(=O)CNc2ccccc2)CCO1	1333627888	ANORTVMNRZFICN-ZFWWWQNUSA-N	319.405	1.697	50	20	DDGD	
CC[C@H](C)[C@@H](CNC(=O)NNc1nncc(N)c1Cl)OC	1261285141	RZDZQWNUBGNPNS-IONNQARKSA-N	316.793	1.399	50	20	DDGD	
CN(NC(=O)c1cc(Br)c(C=O)n1C)C1CC1	1345628101	DQUGEXCZXKNBFD-UHFFFAOYSA-N	300.156	1.339	50	20	DDGD	
O=C(CCl)NCc1cccc(N2CCCS2(=O)=O)c1	1261636517	MPUDYENLVXMWLG-UHFFFAOYSA-N	302.783	1.082	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCCC(=O)OC(C)(C)C)n1	1349447091	MPUNQSOGIKSMNI-UHFFFAOYSA-N	324.381	1.749	50	20	DDGD	
C[C@]1(COC(=O)C[C@@H]2CCC(=O)NC2)C[C@@H]1Br	1519553491	MESRZCBTCMEJPS-HOTUBEGUSA-N	304.184	1.619	50	20	DDGD	
Cc1cc(=NC(=O)C(=O)NNc2cccc3c2CCCC3)cc[nH]1	1515930036	WHMNIYBVYWYQIG-UHFFFAOYSA-N	324.384	1.773	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@H]1C(=O)NNc1cccc(C(=O)O)c1F	1609842953	UNNCRNOROODDBM-PSASIEDQSA-N	308.309	1.972	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@]23C[C@H]2COC32CCC2)c1F	1602448625	UZFYLWWXKHKPIT-FVMDXXJSSA-N	320.320	1.926	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H]2CCC[C@H](C(=O)O)C2)c1	1600648167	QSJWIAILQBRJAY-ZJUUUORDSA-N	310.375	1.709	50	20	DDGD	
O=C(CC1OCCO1)NNc1ccc(C(=O)O)c(Cl)c1	1601258621	LIXOVPKRGGVGSL-UHFFFAOYSA-N	300.698	1.244	50	20	DDGD	
N#C/C(=C/c1ccc(-c2ccccc2C(=O)O)o1)S(N)(=O)=O	1608169272	AJMFDZASBBUSSJ-YFHOEESVSA-N	318.310	1.798	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCS1)c1ccc(OCC(=O)O)cc1	1602986979	BPCKFQZAXRJYAQ-CYBMUJFWSA-N	322.386	1.886	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@H]2CCCS2)cc(C(=O)O)c1	1600270987	WJBZCDTXGWZKMM-LLVKDONJSA-N	323.374	1.742	50	20	DDGD	
C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cl)CC)C2	1801002310	NBDRXCNJGPTSPZ-GFQSEFKGSA-N	314.813	1.170	50	20	DDGD	
CO[C@H]1CN(S(=O)(=O)c2ccc(CCl)cc2)C[C@H]1OC	234908269	TWJTXIWRZISYOY-BETUJISGSA-N	319.810	1.460	50	20	DDGD	
CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1	1817015119	NAXWHQNONPJJFA-QWRGUYRKSA-N	314.773	1.021	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)c1ccn(CCCN)n1	1579158301	MCIUISKIQDSTLW-UHFFFAOYSA-N	307.329	1.137	50	20	DDGD	
CC(C)[C@H](C(=O)O)C(=O)NNc1ncccc1Br	1588807978	HDMYOKYIGSGQBN-QMMMGPOBSA-N	316.155	1.644	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNc1ccc(C(=O)O)cc1F	1588599567	XGULTZUNIUVDEZ-GWCFXTLKSA-N	308.309	1.948	50	20	DDGD	
CC[C@@H](CNS(=O)(=O)c1ccc(CCl)cc1)C(=O)O	1589554407	GZLIXHQEPJOEQA-JTQLQIEISA-N	305.783	1.815	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCCCC(=O)O)c1ccccc1	1594736800	OLUMPRPIQJOLLL-CYBMUJFWSA-N	306.362	1.973	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H]1C(=O)NNc1ccc(C(F)(F)F)nn1	1595182070	JNVNSEAVCSJFQZ-PHDIDXHHSA-N	304.228	1.049	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNc1cccc(C(=O)O)c1F	1598882216	RMKACCGCBQHKIY-UHFFFAOYSA-N	313.285	1.102	50	20	DDGD	
Cc1c[nH]ccc1=NNC(=O)Nc1cccc(CCC(=O)O)c1	1594433993	PYSUVEGDHPVGJJ-UHFFFAOYSA-N	314.345	1.978	50	20	DDGD	
C[C@H](Cc1cnc[nH]1)C(=O)NNc1ccc(F)c(C(=O)O)c1	1592907810	SBOAEBVJTBHDHE-MRVPVSSYSA-N	306.297	1.569	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2cn(C3CCC3)nn2)cc1	1776100842	CFIJOYRTBQFRNG-UHFFFAOYSA-N	313.317	1.465	50	20	DDGD	
COCCCNC(=O)NN=Cc1sc(Cl)cc1C(=O)O	1776039730	YPLRZRYAAMPBDN-UHFFFAOYSA-N	319.770	1.769	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)CC2CCCC2)cc1	15885369	RDBRIUSDKLUEFH-UHFFFAOYSA-N	306.362	1.802	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@@H]1CCC(=O)N1	15902353	GMNSFORJSBSRDS-RQYMUSGFSA-N	319.405	1.019	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)CC2CCCC2)nc2ccccc21	15926398	UYTJUGMJEBLKIF-UHFFFAOYSA-N	314.389	1.844	50	20	DDGD	
O=C(CCC(=O)N1CCOCC1)NNc1ccccc1Cl	158217212	ZFVUUPCPGKUFEX-UHFFFAOYSA-N	311.769	1.422	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)[C@@]1(O)CCSC1	158954386	RFCBHPYNNSZQIE-LLVKDONJSA-N	317.754	1.559	50	20	DDGD	
CSCCCCC(=O)NNC(=O)COCc1ccccc1	152672906	JDBMWTVFMFJPEA-UHFFFAOYSA-N	310.419	1.884	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(-n3cccc3)cc2)[nH]n1	153115828	WARARTQTLLFOHG-UHFFFAOYSA-N	309.329	1.584	50	20	DDGD	
O=C(CNC(=O)c1cccc(F)c1)NNc1ccncc1Cl	154739050	NUNUHBXIWNWJSG-UHFFFAOYSA-N	322.727	1.747	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)NNc1ccncc1Cl	154861360	SBQCXIRWPAWABC-UHFFFAOYSA-N	305.787	1.249	50	20	DDGD	
C[C@@H](CN(C)C(=O)OC(C)(C)C)NS(=O)(=O)CCl	851874178	BOLJKGZJZMPIJH-QMMMGPOBSA-N	300.808	1.358	50	20	DDGD	
O=C(CC[C@@H]1CCCO1)NNC(=O)c1cccc2ncccc12	106811933	YZQCWLGBBQODNQ-LBPRGKRZSA-N	313.357	1.955	50	20	DDGD	
C[C@H]1Cc2cc(S(=O)(=O)NNC(=O)C(C)(C)C)ccc2O1	106007132	PQNIKLMNWNQBHC-VIFPVBQESA-N	312.391	1.366	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC1(c2ccccc2)CCCC1	108928011	SQJTWDNRUQYCMB-UHFFFAOYSA-N	319.405	1.865	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1ccnc2ccccc12	107767930	JRXJZQRZTATWLI-UHFFFAOYSA-N	302.334	1.814	50	20	DDGD	
COc1c(C)cnc(CNC(=O)NNc2ccc(C)nn2)c1C	106268287	ZHMPVTKUWJDFEB-UHFFFAOYSA-N	316.365	1.632	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC[C@@H]2CCC[C@@H](C)C2)n1	56814998	SPLIEYCZCABOIY-BXUZGUMPSA-N	321.425	1.657	50	20	DDGD	
CC(C)n1nccc1NC(=O)NNC(=O)Cc1cccnc1	103504378	RELQJDQUVQXYER-UHFFFAOYSA-N	302.338	1.254	50	20	DDGD	
CC(C)OCCCNC(=O)/C(C#N)=C/c1cnn(CCCl)c1	171540157	VZTIJACAMJUJND-RIYZIHGNSA-N	324.812	1.960	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H](C)c2cccnc2)n1	175195155	VWMRVUTUGYQUJP-JTQLQIEISA-N	302.338	1.576	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2C#N)cc1	61465091	APEWUNBSRVSCBS-MDZDMXLPSA-N	316.320	1.904	50	20	DDGD	
CS[C@H](C(=O)NNc1ncnc2nc[nH]c12)c1ccccc1	173940490	JDNOJEIZJUUHMR-NSHDSACASA-N	314.374	1.900	50	20	DDGD	
CN(Cc1cccnc1)C(=O)NNC(=O)c1cccc(C#N)c1	109360121	RTAKDEJMAVQXOU-UHFFFAOYSA-N	309.329	1.440	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1nc(C)nc2ccccc12	117545681	CCWRQJXFVHRJIG-VIFPVBQESA-N	318.402	1.976	50	20	DDGD	
COC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)CC2CCCC2)C1	175212392	BQMTWDSXNMWFES-OLZOCXBDSA-N	310.394	1.694	50	20	DDGD	
CCCN(C[C@@H](C)CBr)[C@H]1CCS(=O)(=O)C1	248773245	VWYNALKLELIEKI-QWRGUYRKSA-N	312.273	1.917	50	20	DDGD	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)NNC(=O)CO	180964519	MXVPUJKRQBBTPX-UHFFFAOYSA-N	309.322	1.011	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)c1cccs1	28776248	SJLDSXXWUUHWBJ-UHFFFAOYSA-N	311.407	1.452	50	20	DDGD	
Cc1cc(-n2cncn2)ccc1C(=O)NNC(=O)c1ccccc1	172921686	HBWMQKZFEIYQQB-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
O=C(CCc1nc(-c2ccsc2)no1)NNc1cnccn1	114882040	SSSPPIXEFBMQGB-UHFFFAOYSA-N	316.346	1.664	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C	67083482	LUNPKCWGMIRCHU-UHFFFAOYSA-N	316.402	1.278	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)NC2CCCC2)c1C	65920857	CAYYHZWOEIEPHM-UHFFFAOYSA-N	306.366	1.721	50	20	DDGD	
O=C(NNC(=O)[C@H]1OCCc2ccccc21)c1ccccc1O	123260057	KAQOOLZPQLVGAE-HNNXBMFYSA-N	312.325	1.467	50	20	DDGD	
CN1C(=O)CCc2cc(C(=O)NNC(=O)c3ccccc3)ccc21	121757350	VQWDFPYKWVQPMK-UHFFFAOYSA-N	323.352	1.670	50	20	DDGD	
COCCCC(=O)NNC(=O)c1cc(-c2ccc(C)cc2)n[nH]1	127107569	XTWBMXCKGCSYNQ-UHFFFAOYSA-N	316.361	1.573	50	20	DDGD	
Cc1ccc(CN2C[C@@H](C(=O)NNc3ccccn3)CC2=O)cc1	181214904	CSQWFOJTNGBLCK-HNNXBMFYSA-N	324.384	1.882	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@H](C)N(C)C1CC1	73331382	IZJFBSXHKJYDNI-JTQLQIEISA-N	312.845	1.951	50	20	DDGD	
O=C(NC[C@H]1CCCO1)NNC(=O)c1c[nH]c2ccccc12	72485844	BDOQRLRCQFNRGQ-SNVBAGLBSA-N	302.334	1.291	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@H]2C[C@H]3CC[C@@H]2O3)c1	72644818	QILDVOHWGXUXKL-RDBSUJKOSA-N	303.362	1.081	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc(COc2ccccc2F)on1	184246211	AIBWAQWEJPDBGU-UHFFFAOYSA-N	322.296	1.309	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)c1	73689468	IMJQKOLLAATKNW-SNVBAGLBSA-N	315.295	1.849	50	20	DDGD	
CC(=O)N1CCC[C@@H]1C(=O)NNc1ncnc2ccsc12	132771693	AITQXXMTBMDUQU-SNVBAGLBSA-N	305.363	1.145	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)Cc1nc2ccccc2n1C	132546325	JZIVNCXOACAGBC-LLVKDONJSA-N	318.377	1.078	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)CCCC(C)=O)o1	133273741	GHCWHRJSEYGEBG-UHFFFAOYSA-N	323.393	1.642	50	20	DDGD	
Cc1ccc(O[C@H](C)C(=O)NNC(=O)Cc2ccncc2)cc1	81025148	VKGFWZNTRBHIMU-CYBMUJFWSA-N	313.357	1.547	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCc1ccn(C)c1	81509648	CWINGUXHEFHOFA-UHFFFAOYSA-N	316.361	1.107	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(Br)c1)n1cncn1	192947996	ZUPNASRVNCQVTO-QMMMGPOBSA-N	310.155	1.745	50	20	DDGD	
Cc1nn(C)c2ncc(/C=C(/C#N)C(=O)Nc3ccn(C)n3)cc12	134490975	YURXYLSXTQJWES-SDQBBNPISA-N	321.344	1.556	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1ccc2nncn2c1	131888851	HQVIVKTWOSSKSW-UHFFFAOYSA-N	322.250	1.900	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@H]1COc2ccccc2C1	194435776	NRROFXYCXNTAOG-GFCCVEGCSA-N	315.329	1.361	50	20	DDGD	
COc1ccnc(NNC(=O)NCCOC2CCCCCC2)n1	265444251	LOYHXDARESURGS-UHFFFAOYSA-N	323.397	1.851	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H]1CCc2ccccc21	267148485	GWETZQXAKLHRGC-SMDDNHRTSA-N	321.377	1.056	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N[C@H]2CCCSC2)cc1	267294848	JIIYLOPMLGXXOE-LBPRGKRZSA-N	304.375	1.398	50	20	DDGD	
COc1ccccc1O[C@H](C)CNC(=O)NNC(=O)C1CCC1	266456496	FDISYSJCWHMVGB-LLVKDONJSA-N	321.377	1.593	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NNC(=O)C2CCC2)cc(C#N)n1C	264671616	GYDOFIYTVSYIHL-AWNIVKPZSA-N	311.345	1.060	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCC2(CC1)CC2	368424329	IYGURWJVYAOWNO-UHFFFAOYSA-N	315.417	1.561	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@@H]2CCO[C@H](C)C2)n1	271685572	RBLHOXQEWSBDGT-GHMZBOCLSA-N	309.370	1.235	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cccnc1OCC(F)F	273430940	LAKCYCMQNKSKNW-UHFFFAOYSA-N	316.308	1.924	50	20	DDGD	
O=C(NNC(=O)[C@@H](F)C(F)(F)F)c1ccc2c(c1)OCCO2	277557010	WUFYNSDZTTUHOM-SECBINFHSA-N	322.214	1.119	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@H]1C[C@]12CCOC2	364085436	HLBWVEHAEHTLET-BMIGLBTASA-N	321.402	1.439	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2CCCc3cccnc32)n1	279764401	FZZVKADNYKCZOB-ZDUSSCGKSA-N	310.357	1.666	50	20	DDGD	
CC(C)(C)[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1ccoc1	277146404	FIVWNMBSUBOFST-RYUDHWBXSA-N	309.366	1.561	50	20	DDGD	
CC(C)n1ncc2c1[C@H](NC(=O)NNc1cccnn1)CCC2	375171228	NJURKJVLMHKDEG-GFCCVEGCSA-N	315.381	1.958	50	20	DDGD	
COCCCOCC(=O)NNC(=O)CCCc1ccccc1	271772814	GPRYMWHNXISWDR-UHFFFAOYSA-N	308.378	1.210	50	20	DDGD	
N#CC1(C(=O)NNC(=O)CSc2ccccc2O)CCCC1	270687701	JBCRPQCHCJQMHP-UHFFFAOYSA-N	319.386	1.716	50	20	DDGD	
C[C@@H](CO)CCCNC(=O)NNC(=O)CCCc1ccccc1	270576988	WIMRRXHMOYCXDG-CQSZACIVSA-N	321.421	1.748	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)c1c[nH]c2ccccc12	280409270	YESGQALMPFWYKA-WDEREUQCSA-N	313.357	1.934	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C2C[C@@H]3CCC[C@H](C2)C3N)n1	285686483	NXCUILOBAIFVEM-VTXSZYRJSA-N	303.410	1.690	50	20	DDGD	
Cc1ccc2c(c1)CC[C@@H](C(=O)NNc1ncnc3nc[nH]c13)O2	280041805	AWAFYXNFCSMNIC-LBPRGKRZSA-N	324.344	1.498	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(-n2nc(C)cc2C)nc1	288439254	IJNFXOPTXJNGDV-UHFFFAOYSA-N	303.366	1.107	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@@H]1COCCN1CC1CCC1	286370287	FAXWYVSRYLPKCU-LBPRGKRZSA-N	308.357	1.165	50	20	DDGD	
COCCN(C)NC(=O)c1ccn(-c2cc(C)ccc2OC)n1	288561534	QERJQENSTNHRAJ-UHFFFAOYSA-N	318.377	1.412	50	20	DDGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNC(=O)CNc2ccccc2)C1	280000745	MQYUQBXFYGJGCO-UKRRQHHQSA-N	319.405	1.841	50	20	DDGD	
C[S@@](=O)C1(CNC(=O)NNc2cncc(Cl)n2)CCC1	280732415	ISIKHGDBYFKXKK-HXUWFJFHSA-N	317.802	1.057	50	20	DDGD	
CSSCCNS(=O)(=O)c1ccc(C(N)=O)cc1	284575372	GSUSOKKHIXWDGR-UHFFFAOYSA-N	306.434	1.075	50	20	DDGD	
CCC[C@H]1C[C@H](C(=O)NNC(=O)N=c2cc[nH]cc2)CCO1	802035322	FDFUDLVTKSKJFO-YPMHNXCESA-N	306.366	1.252	50	20	DDGD	
COC(OC)c1ccc(C(=O)NNc2ccc(Cl)nn2)o1	806881778	JKSVISGNLPVSJH-UHFFFAOYSA-N	312.713	1.771	50	20	DDGD	
CN(C)c1ccc(CCC(=O)NNc2ncncc2F)cc1	294019547	NESGREPNXXMYPU-UHFFFAOYSA-N	303.341	1.758	50	20	DDGD	
Cn1c(C(=O)NNC(=O)N=c2cc[nH]cc2)cc2ccccc21	802025336	BJDZGQUGSFLBRI-UHFFFAOYSA-N	309.329	1.462	50	20	DDGD	
Cc1cccc2c1N(C(=O)C(=O)NNc1ncccc1F)CC2	807302129	NGEKDBGACZYMAW-UHFFFAOYSA-N	314.320	1.562	50	20	DDGD	
C#CCO[C@H](C)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)OC)c1	297826348	TWBIXAGXIBWBDG-SECBINFHSA-N	307.258	1.325	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@@H](O)c1cccc(C(F)(F)F)c1	803079346	ZNGRISHRYGZPGL-LBPRGKRZSA-N	311.263	1.699	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cccc(N2CCNC2=O)c1	299157806	XPVFAAYKIORASA-UHFFFAOYSA-N	319.365	1.415	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Nc1ccc(N(C)C)cc1)n1cccn1	802120059	IXNMPKLFYHXKSW-LLVKDONJSA-N	316.365	1.363	50	20	DDGD	
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NNc1ncncc1F	293880911	DMCBPPVYPVUERS-LLVKDONJSA-N	321.312	1.106	50	20	DDGD	
CCCC[C@@H](C)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	800277947	YHQNOSUGBXJYCW-VXGBXAGGSA-N	300.399	1.938	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1ccc(-n2cccn2)cc1	298652940	FCAGKOUTVXFXKH-UHFFFAOYSA-N	315.377	1.749	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cc2ccc(F)cn2)nc1	807166216	BVJSHLPOJTZZHU-UHFFFAOYSA-N	304.281	1.088	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2CCCc3nn[nH]c32)cc1	816821318	VIVBQLXEUZHTMB-GFCCVEGCSA-N	313.361	1.248	50	20	DDGD	
COc1ccc(CCC(=O)NN(C)C2CC2)c(OC)c1OC	819645743	DRBOCUDIQDZZQL-UHFFFAOYSA-N	308.378	1.770	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)CCN2CCCCCC2)cn1	814758231	MGXOBQQQEMHVKS-UHFFFAOYSA-N	318.425	1.259	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cc(O)ccc2C)cc1	816819488	GLWGXLIXSSHFLX-UHFFFAOYSA-N	314.341	1.849	50	20	DDGD	
CC(C)(C)c1ncc(C=NNC(=O)NCC(F)(F)F)cn1	814812377	SQXJQNWVRRNUKE-UHFFFAOYSA-N	303.288	1.970	50	20	DDGD	
Cc1cc(=O)cc(C)n1CCCC(=O)NNc1cnccn1	810405995	RYCXRGYVKPRZFC-UHFFFAOYSA-N	301.350	1.179	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=C1C(=O)Nc2cccc(Cl)c21	815002893	VQBOKLBAVSOUFR-UHFFFAOYSA-N	315.720	1.635	50	20	DDGD	
Cc1ccc(CCC(=O)NNc2ccnc(N(C)C)n2)s1	810427533	LQLBUCBEXQDHBR-UHFFFAOYSA-N	305.407	1.988	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1	819563639	JXIFKGVHCUACDI-CLFYSBASSA-N	301.281	1.993	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C2(C)CCOCC2)c(C)c1	728205743	CMLLBXZIAQEHPG-UHFFFAOYSA-N	319.405	1.679	50	20	DDGD	
O=C(Cc1cccnc1)NN=C1C(=O)Nc2ccc(Cl)cc21	728785403	FPFZZINQBDBBNO-UHFFFAOYSA-N	314.732	1.750	50	20	DDGD	
CCOC(=O)N1CSC[C@H]1C(=O)NN[C@H](C)C(F)(F)F	826943150	VCLMIJNDHWGJTB-RQJHMYQMSA-N	315.317	1.089	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1nc2ccccn2n1)C1CCCC1	823305948	NXLMJTFMDOYLRH-LBPRGKRZSA-N	318.381	1.561	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2CCN(C(C)(C)C)C2=O)nc1	827075462	BGFNJDQGJILWIG-NSHDSACASA-N	305.382	1.416	50	20	DDGD	
CCn1c(NNC(=O)/C=C\c2ccc[nH]2)nc2ccccc2c1=O	492005477	DOJXLIDUTVCFHY-KTKRTIGZSA-N	323.356	1.901	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1	494469133	JJWUGLZABUZZGA-UHFFFAOYSA-N	322.365	1.998	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	820631267	WPVRTTVIZNXBAR-DGCLKSJQSA-N	321.352	1.725	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1nc2c(s1)CCC2	726872766	UOGMOMVFMCFILX-UHFFFAOYSA-N	303.347	1.493	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)CCCNC(=O)OC(C)(C)C)CN1C	494023603	LOJVSBYHFATIIR-LLVKDONJSA-N	312.414	1.488	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)C1(Br)CC1	821148891	YFPDRTVKBYTDTQ-UHFFFAOYSA-N	300.112	1.965	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cccc(C(N)=O)c1	725731105	DJGLGSSITOTARJ-UHFFFAOYSA-N	316.269	1.922	50	20	DDGD	
COC(=O)N(C)CCNC(=O)NNc1cc(F)c(F)c(F)c1	822790374	XJFJGDGXKXAPJJ-UHFFFAOYSA-N	320.271	1.428	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)[C@H](C)NC(=O)OC(C)(C)C	496156412	SDFUOPRYSSVZSS-VIFPVBQESA-N	309.370	1.358	50	20	DDGD	
COc1ccc(C(=O)N2CC[C@H](B(O)O)C2)c(OCC2CC2)c1	585065543	YYHDHSPVEQHXBK-LBPRGKRZSA-N	319.166	1.173	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)C2CCOCC2)cc(Cl)n1	829557872	SOFJARJOFIFXLX-UHFFFAOYSA-N	311.769	1.485	50	20	DDGD	
C[C@]1(C(=O)NNc2cccc(Br)c2)CCNC1=O	821147319	DAETUWKVKPHKBS-LBPRGKRZSA-N	312.167	1.418	50	20	DDGD	
OB(O)c1cccc(CNCC2(c3c(F)cccc3F)CC2)c1	585034426	KSALLPWIHRGBIV-UHFFFAOYSA-N	317.144	1.466	50	20	DDGD	
O=C(CCc1cscn1)NNc1cccc(-c2nn[nH]n2)c1	826409151	KOCMNBNGCBQYLN-UHFFFAOYSA-N	315.362	1.399	50	20	DDGD	
CC(C)[C@@H](CC(F)(F)F)NC(=O)c1cc(B(O)O)ccc1F	584978645	CMUDQFBJCZLXMH-LLVKDONJSA-N	321.079	1.212	50	20	DDGD	
COC[C@@H](NCc1ccc(B(O)O)cc1)c1ccc(Cl)cc1	585039533	WPEFWWYSOGKOJZ-MRXNPFEDSA-N	319.597	1.497	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)C(OC)OC)c1	822764316	CCFTXFKLOVSDRZ-UHFFFAOYSA-N	317.729	1.120	50	20	DDGD	
COC(=O)N1CCC(=NNC(=O)Cc2csc(C)n2)CC1	490689335	BGORXEBIRZQNEG-UHFFFAOYSA-N	310.379	1.328	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1cnnc2ccccc12)C(C)C	491489200	VSAQDXRRUFOUIK-ZDUSSCGKSA-N	317.349	1.454	50	20	DDGD	
CS[C@H](C)CCC(=O)NNc1ccc(-c2nn[nH]n2)cc1	826226369	YHDZAYKBWVVGFH-SECBINFHSA-N	306.395	1.842	50	20	DDGD	
CCNC(=O)NNC(=O)CN(CC)Cc1ccccc1Cl	822781822	JUFDRSTYIWHNIA-UHFFFAOYSA-N	312.801	1.512	50	20	DDGD	
O=C(NNC(=O)c1cnn2ccccc12)c1c[nH]c2ccccc12	731865215	KUUOBZXGQCNRQE-UHFFFAOYSA-N	319.324	1.890	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NC2=NC[C@@H](C)S2)cc(C#N)n1C	491008779	JAQFPJJYXVXCAT-DZRKTEMMSA-N	313.386	1.720	50	20	DDGD	
COCC[C@@](C)(O)CNC(=O)/C(C#N)=C\c1ccc(O)cc1	491013901	VNMYIFFWJFDMLE-RCBBPTIPSA-N	304.346	1.203	50	20	DDGD	
CC(C)n1cnnc1SCC(=O)NNC(=O)OC(C)(C)C	490755263	XERLNYDNAUUYBG-UHFFFAOYSA-N	315.399	1.507	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1scnc1C(C)C	838052397	CYCQRWCYQKUGAG-MRVPVSSYSA-N	313.379	1.369	50	20	DDGD	
N#Cc1cccc([C@@H]2C[C@H]2C(=O)NNC(=O)[C@@H]2CCCCO2)c1	839781677	XXKFBFUNHYDWKT-ZNMIVQPWSA-N	313.357	1.378	50	20	DDGD	
Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CC[C@@H](B(O)O)C1	585074984	FATPPZDVBHCCFH-UKRRQHHQSA-N	319.210	1.961	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN(C)[C@H](C)C1CC1	839464982	SPJWJTCKNVIWMP-CYBMUJFWSA-N	303.406	1.415	50	20	DDGD	
C[C@@H]1CC[C@@H](CNC(=O)NNC(=O)COCc2ccccc2)O1	838744407	JVPIASNLADTHLU-OCCSQVGLSA-N	321.377	1.101	50	20	DDGD	
O=C(CC[C@H]1CCCCO1)NNc1nc(-c2cccnc2)no1	732109161	BUGXNNGTCNICDP-GFCCVEGCSA-N	317.349	1.924	50	20	DDGD	
O=C(NN=Cc1occc1Br)N1CCOCC1	735229539	IDTDLZBKIHFABN-UHFFFAOYSA-N	302.128	1.418	50	20	DDGD	
CC[C@H](NC(=O)c1cc(B(O)O)ccc1F)c1csc(C)c1	585003098	HABUAGLPFZBSTP-AWEZNQCLSA-N	321.182	1.757	50	20	DDGD	
CCC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1cnn(C)c1	735512899	LEEJQOJNWTZXFI-DGCLKSJQSA-N	307.398	1.723	50	20	DDGD	
CCc1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)ccc1F	831793648	WQWAIPQYANBUKH-BXKDBHETSA-N	309.341	1.966	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1cc([N+](=O)[O-])c[nH]1	732068321	PKLXSZJONAGGQJ-UHFFFAOYSA-N	315.249	1.125	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCCO1)c1ccc2c(c1)NC(=O)CO2	834989822	VWXAWEQZGATBCU-AWEZNQCLSA-N	317.345	1.427	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CC[C@@H]2CCCCO2)c1O	732276969	YNAUXXLNZXLUDN-NSHDSACASA-N	322.361	1.511	50	20	DDGD	
C[C@@H](C1CC1)n1cc(NCc2ccc(B(O)O)cc2F)cn1	585037109	VQCZGUSVUXAOTG-JTQLQIEISA-N	303.146	1.285	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCCSC)cc1F	838170764	CBXURVWYWBUBDI-UHFFFAOYSA-N	301.343	1.601	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)N[C@H]1CCCN(C)C1=O	838504278	MIDMKIKPUOFGEC-NSHDSACASA-N	310.785	1.895	50	20	DDGD	
CS[C@@H]1CCCC(=NNC(=O)CNC(=O)c2cccnc2)C1	901200074	XAJOYOGYTSZMDF-CYBMUJFWSA-N	320.418	1.589	50	20	DDGD	
CC(C)(C(=O)N1CC[C@H](B(O)O)C1)c1ccc(Cl)cc1F	585064657	SGXBYTJFEBPTGN-VIFPVBQESA-N	313.565	1.832	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)C1(n2cnnn2)CC1	831755665	NLKSVYLDZBWRHP-UHFFFAOYSA-N	309.333	1.162	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCC[C@@H](C(C)(C)O)C2)cn1	832453286	JDHOGVIUXVSXSS-SVSAJMPUSA-N	302.378	1.337	50	20	DDGD	
CC(C)[C@H](CNC(=O)c1ccc(B(O)O)cc1)c1ccccc1	584927654	APGQLJHSNUHLAB-KRWDZBQOSA-N	311.190	1.536	50	20	DDGD	
CCOCCCNC(=O)NNC(=O)Nc1ccc(OC)cc1	836197924	ZEMNNOXOOMGAOU-UHFFFAOYSA-N	310.354	1.458	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)NC[C@H]1CCCCS1	836431049	YDYPKBNSIWFSLI-LLVKDONJSA-N	309.395	1.125	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CC1	735977726	VHTJIDHFUZWGHL-SECBINFHSA-N	314.349	1.064	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc(C#N)cc1)CC(C)(C)C	839604698	PLXNHWJLDGNUEG-UHFFFAOYSA-N	316.405	1.687	50	20	DDGD	
Cc1c(C(=O)NNc2cnccn2)cc([N+](=O)[O-])cc1[N+](=O)[O-]	734244688	YDUBXGAMVPGTFW-UHFFFAOYSA-N	318.249	1.358	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H](C)OCCOC)c1	734022671	GXMJEZLDMOCJTP-LLVKDONJSA-N	321.402	1.037	50	20	DDGD	
COc1cccc(O)c1C(=O)NNCC(F)(F)C(F)(F)F	913163537	QPHXHMQCCJLNOG-UHFFFAOYSA-N	314.210	1.833	50	20	DDGD	
CC[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)c2ccccc2O1	744409090	LKASFQNYEBBZGW-LBPRGKRZSA-N	319.405	1.858	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1ccc(S(C)(=O)=O)cc1	842555810	LGNNPFAVZOPRHE-FZMZJTMJSA-N	324.402	1.355	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H](C)CN2CCCCCC2)nn1C	841614760	QNMRADKSYBFETF-CYBMUJFWSA-N	305.426	1.691	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2cc(N(C)C)ccn2)o1	749942120	UPXPNTFSRFXXBX-UHFFFAOYSA-N	314.349	1.888	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)CN1CCCC1=O)C1CCCCC1	913731222	ZTAUFSGUAPTJPN-LBPRGKRZSA-N	309.410	1.363	50	20	DDGD	
C[C@H](NS(=O)(=O)c1ccc(CCl)cc1)C(=O)NCCF	915260943	GNQNQNBHYPMVKH-VIFPVBQESA-N	322.789	1.178	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1CC(c2ccc(F)cc2)C1	843662758	UZBDEMHIOXXJBK-ADBWKJQBSA-N	320.364	1.892	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)Cc2cccnc2)c1	741922992	JUDUJODEVUWVJX-UHFFFAOYSA-N	314.301	1.302	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Cc1ccc2c(c1)CCCO2	843520644	VRRFMIXITSKKPZ-UHFFFAOYSA-N	313.357	1.354	50	20	DDGD	
CCNC(=O)NN=Cc1cnc2cnc(Br)cn12	746369969	DGAJDWDTYANBTD-UHFFFAOYSA-N	311.143	1.145	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2nc(-c3ccccc3)no2)o1	747411568	UQKKMXJFLLLYHA-UHFFFAOYSA-N	313.273	1.185	50	20	DDGD	
CCC(=NNC(=O)Cc1cc(O)nc(O)n1)c1cccs1	743448108	YVJBWRNCTNVVLB-UHFFFAOYSA-N	306.347	1.422	50	20	DDGD	
O=C(NCCCCc1ccccc1)NNC(=O)c1ncccn1	841576326	ZXPXHTMAFSXRNA-UHFFFAOYSA-N	313.361	1.444	50	20	DDGD	
NC[C@H](NC(=O)NNC(=O)Cc1ccccc1F)C1CCCC1	841985064	HRTJNXOCDKDFLT-AWEZNQCLSA-N	322.384	1.216	50	20	DDGD	
CN1C(=O)C(=NNC(=O)Cc2ccc(F)cc2)c2ccccc21	916351023	WZTXBTCQMQBOJL-UHFFFAOYSA-N	311.316	1.865	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=S)Nc1ccc2c(c1)CCC2	843277693	SPVHYIDMJPVUQZ-HZMBPMFUSA-N	319.430	1.918	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)ccc1Cl	843663463	XUBUUZNXAIIESC-PSASIEDQSA-N	312.753	1.535	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc(C#N)cc2)c(C2CCC2)n1	840300116	IMVRHEKYCLMNEA-UHFFFAOYSA-N	323.356	1.634	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)c2cccc(C#N)c2)[C@H](C)[C@H]1C	842166138	INVOCFSKHVQHSL-FRRDWIJNSA-N	314.389	1.296	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)CSc2nc3ccccc3n2C)CO1	842528468	JGICTTJIVJOEKM-SNVBAGLBSA-N	318.402	1.946	50	20	DDGD	
COc1ccc(Cl)cc1C(=O)NNc1nccn(C)c1=O	747946337	ZMTVCXAZLHKQCD-UHFFFAOYSA-N	308.725	1.199	50	20	DDGD	
CN1CCN(CC(=O)NNc2ccc(Cl)c(F)c2)CC1	746697066	IOJUIBDOQLGTDT-UHFFFAOYSA-N	300.765	1.170	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C(F)(F)c1ccc(F)cc1	920851325	GIOWGFKPHJFLAS-UHFFFAOYSA-N	311.263	1.717	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1)C(=O)O	848587051	AZHWJIRFGIUBJM-JTQLQIEISA-N	321.377	1.649	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CC[C@H](C2OCCO2)C1	928009600	RMYLFFMMLAIVFG-GFAPJHNFSA-N	316.332	1.954	50	20	DDGD	
CC(C)CC1(C)CCN(C(=O)NNC(=O)c2ncccn2)CC1	841591867	HQRNEEQSIBJVKS-UHFFFAOYSA-N	319.409	1.979	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@H]1CCO[C@H](c2ccccc2)O1	847390894	OEGPXUWEIBMRIL-HIFRSBDPSA-N	319.361	1.231	50	20	DDGD	
Cc1cc(C=NNC(=O)CNC(=O)c2cccs2)c(C)[nH]1	750948287	OTHJBRKZGWPAMG-UHFFFAOYSA-N	304.375	1.573	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNc1nc(C(F)(F)F)cs1	755859626	GONHDUNUQKCWIU-YFKPBYRVSA-N	310.301	1.520	50	20	DDGD	
CO[C@H](C=NNC(=O)c1cccc(C(=O)O)c1)[C@@H]1CCOC1	853424852	AHPHHTBBSWHJDP-CHWSQXEVSA-N	306.318	1.152	50	20	DDGD	
CCn1c(NNC(=O)C[C@@H](C)COC)nc2ccccc2c1=O	755114370	YEUYPWKBXJJPEF-LLVKDONJSA-N	318.377	1.532	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(F)c(F)c1)[C@H]1CN(C)CCO1	921559394	YXJKAUGPJIESTR-TVQRCGJNSA-N	314.336	1.310	50	20	DDGD	
O=C(CNC(=O)C1CC1)OC[C@H](CBr)C1CC1	859496065	CCDOZXVKWLKGSN-JTQLQIEISA-N	304.184	1.477	50	20	DDGD	
COC(=O)N1CCC(=NNC(=O)c2cccc(C(=O)O)c2)CC1	853425241	BYKZGPTYKOQQDO-UHFFFAOYSA-N	319.317	1.333	50	20	DDGD	
C[C@]1(CNC(=O)CSc2nncs2)C[C@H]1Br	857397331	FTKGGZVSFAJOEZ-HZGVNTEJSA-N	322.253	1.920	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)c1cc(-c2ccccc2)on1	755090980	LTTWCKMMYFUIMX-LLVKDONJSA-N	317.345	1.775	50	20	DDGD	
Cc1ccc(C(=O)NN=C2Oc3cc(O)cc(C)c3C2=O)o1	752175865	ZGOMSVGXZJBAPZ-UHFFFAOYSA-N	300.270	1.921	50	20	DDGD	
O=C(CCc1ccncn1)NNC(=O)Cc1ccc(Cl)cc1	755318927	LBLJUDAXDVJUGK-UHFFFAOYSA-N	318.764	1.453	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)c1ccc(O)c([N+](=O)[O-])c1	754837341	XSAJXZRRWLQGAG-UHFFFAOYSA-N	319.248	1.514	50	20	DDGD	
O=C(NNc1ncccn1)c1ccc(CN2CCCCC2)o1	929898229	YXVYQSZRHQOLNZ-UHFFFAOYSA-N	301.350	1.812	50	20	DDGD	
O=C(Cc1c[nH]c2cc(F)ccc12)NNC(=O)NCC1CC1	751371967	NZKVFXQHSTYJDL-UHFFFAOYSA-N	304.325	1.590	50	20	DDGD	
O=C(NC[C@H](O)c1cccc(F)c1)NNC(=O)C1CCCC1	753343217	FHOQOAWTWNDMIZ-ZDUSSCGKSA-N	309.341	1.380	50	20	DDGD	
CCOC[C@@H]1CCCN(C(=O)NNC(=O)c2cccc(F)n2)C1	852711650	RPFJYVYNVRRUSF-LLVKDONJSA-N	324.356	1.324	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1cc2ccccc2s1	758372324	PWUDZGOPHZTSDY-UHFFFAOYSA-N	301.371	1.974	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)COc2ccc(F)cc2)c[nH]1	753159784	AEICPPPLFPISMV-UHFFFAOYSA-N	319.292	1.470	50	20	DDGD	
C[C@H](CSCc1ccccc1)C(=O)NNc1cnnn1C	857273550	QKNBSVZQYKCWLM-LLVKDONJSA-N	305.407	1.828	50	20	DDGD	
CN1CCC[C@H](CNC(=O)NC[C@@]2(C)C[C@@H]2Br)C1	856838616	DIDCZHWTBAXKTI-NTZNESFSSA-N	318.259	1.801	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)[C@H]1COc2ccccc2O1)C1CCC1	756102293	ZUPHRYJVHGISBI-QMTHXVAHSA-N	319.361	1.345	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C(C)c1cnc[nH]1	853265911	MRMIDSUHSYLFDD-UHFFFAOYSA-N	302.334	1.728	50	20	DDGD	
C[C@H]1Cc2cc(C(=O)NNC(=S)N[C@@H](C)C3CC3)ccc2O1	855095332	MKRADSAEPZCAOW-UWVGGRQHSA-N	319.430	1.917	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H]2C=C[C@H](CO)C2)C[C@@H]1Br	856840632	SFJAYZWXWQDKPZ-MIZYBKAJSA-N	303.200	1.396	50	20	DDGD	
O=C(NN=Cc1ncc(Cl)s1)[C@@H]1CN2CCC[C@@H]2CO1	853390524	AQQGEBSWCBZFTJ-BDAKNGLRSA-N	314.798	1.110	50	20	DDGD	
O=C(CN[C@H](c1ccccn1)C1CC1)NNC(=O)c1ccccc1	932376013	DMLJWHSMWVTDBP-KRWDZBQOSA-N	324.384	1.584	50	20	DDGD	
C[C@@]1(CNC(=O)NCC2(CC(N)=O)CC2)C[C@H]1Br	856864884	NCGXGOPLBYPWEI-KCJUWKMLSA-N	318.215	1.115	50	20	DDGD	
CN1C(=O)CCc2cc(C(=O)NCCCSC#N)ccc21	854362027	XJDQINIEXFQIIO-UHFFFAOYSA-N	303.387	1.930	50	20	DDGD	
CCOC(=O)NN=Cc1cc(O)cc(Br)c1O	755471028	BFPXCWYOWJNAFF-UHFFFAOYSA-N	303.112	1.940	50	20	DDGD	
CCCC[C@](C)(F)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	854260301	IBHIRAVVVCGMFA-INIZCTEOSA-N	323.368	1.999	50	20	DDGD	
CCn1cnnc1CNC(=O)NC[C@]1(C)C[C@H]1Br	856719347	QEWFMECGDAHISP-KCJUWKMLSA-N	316.203	1.271	50	20	DDGD	
Cc1cc(Cl)ccc1C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	853389790	YWVSRASNBBAZED-CABCVRRESA-N	321.808	1.962	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1C	756828391	ADXYUVCHTNFCFK-UHFFFAOYSA-N	301.306	1.791	50	20	DDGD	
O=C(NNc1ccc(Br)nc1)c1cn(C2CC2)nn1	863871874	FFTUSVWORZSKIJ-UHFFFAOYSA-N	323.154	1.527	50	20	DDGD	
Cc1nn(C)c2ncc(C(=O)NN[C@H](C)C(F)(F)F)cc12	862306084	CBHYEXKIYZMAAX-SSDOTTSWSA-N	301.272	1.462	50	20	DDGD	
COC(=O)c1ccc(C(C)=NNC(=O)Cc2ccncc2)cc1	767786626	DCYXPZBEBUFXHM-UHFFFAOYSA-N	311.341	1.951	50	20	DDGD	
Cn1c(CC(=O)NN=C2CCN3CCC[C@H]23)nc2ccccc21	765559481	JMKPTECSQAKGEY-OAHLLOKOSA-N	311.389	1.456	50	20	DDGD	
COc1nccnc1NNC(=O)C(F)(F)c1ccc(F)cc1	764461346	ZTKYRIVBHDPSHL-UHFFFAOYSA-N	312.251	1.859	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccnc1)c1ccc(C)cc1C	763194193	GCRXDAIJDIVFKN-UHFFFAOYSA-N	324.384	1.969	50	20	DDGD	
C/C(=C/c1cccc(Cl)c1)C(=O)NNC(=O)[C@H]1CCC(=O)N1	862457524	LCVWYOWSVMZWBW-ZVTBTPLYSA-N	321.764	1.169	50	20	DDGD	
C[C@H](NNC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)C(F)(F)F	862306615	MWCLCJOPOWNIRG-RCOVLWMOSA-N	319.258	1.823	50	20	DDGD	
Cn1cnnc1CCNC(=O)[C@H](Br)C(C)(C)C	767957323	KAFDLTJOEWCRCX-VIFPVBQESA-N	303.204	1.283	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC[C@H](CC(N)=O)C1	768223217	KLTGGRAKCWXVNA-MWLCHTKSSA-N	319.243	1.910	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cn(C)c(=O)c2ccccc12	760530502	MCUKTXFKHZKIKU-UHFFFAOYSA-N	308.341	1.999	50	20	DDGD	
C[C@]1(CNC(=O)NNc2ncnc3ccsc23)CCOC1	765781754	QKIKQXNAOLNNEF-CYBMUJFWSA-N	307.379	1.744	50	20	DDGD	
C[C@H](NNC(=O)C(C)(C)NC(=O)C(F)(F)F)C(F)(F)F	862318278	QJDGGRRRTBLYSL-BYPYZUCNSA-N	309.210	1.015	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)COCc2ccccc2)CCC1=O	764317185	DEIOLQJXMUKMLZ-JSGCOSHPSA-N	318.373	1.356	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cc([N+](=O)[O-])c[nH]1	863091311	RTTAADUFXVABCP-UHFFFAOYSA-N	302.159	1.355	50	20	DDGD	
O=C(NNC(=O)c1cncs1)c1cc(-c2cccs2)[nH]n1	768260133	GKXREOZDURNKNW-UHFFFAOYSA-N	319.371	1.670	50	20	DDGD	
COCCCn1cc(C(=O)NNc2c(F)cccc2F)cn1	860315367	NSVQMKJJCBLEIG-UHFFFAOYSA-N	310.304	1.955	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2cc(C)sn2)cn1	768207988	UUYYERSUZFVTQI-UHFFFAOYSA-N	323.403	1.487	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)NNC(=O)c1cn[nH]c1	862473496	SMDORFDFLQWCGV-SNVBAGLBSA-N	314.436	1.885	50	20	DDGD	
CC[C@@]1(C(=O)NN=c2sc3ccccc3n2C)CCNC1=O	864719543	LEYWNRYVIFKNGP-OAHLLOKOSA-N	318.402	1.088	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1cccc(Cl)c1Cl	869913883	OJRSMZUJOPAGQX-UHFFFAOYSA-N	321.160	1.417	50	20	DDGD	
COc1cccc(COCC(=O)NN[C@H](C)C(F)(F)F)c1	862310005	QUXWQEKKNJZFNX-SECBINFHSA-N	306.284	1.783	50	20	DDGD	
Cc1ncc(NC(=O)C(=O)NNc2nccnc2C(C)C)s1	1116810368	PUQIHMOXSOOUOO-UHFFFAOYSA-N	320.378	1.447	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1	878677532	NLNHUFOMDJVLPR-UHFFFAOYSA-N	322.365	1.868	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)cc[nH]1	875434703	JKDMEDPDAGRVGI-UPJWGTAASA-N	324.475	1.818	50	20	DDGD	
CC[C@@]1(C(=O)NNc2ncccc2C(F)(F)F)CCNC1=O	878916916	WYECJFJEEVNSFT-GFCCVEGCSA-N	316.283	1.460	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CSC(C)C	771991457	ADUJCKHTCLRJCM-JTQLQIEISA-N	304.412	1.253	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CCn2ccnn2)c(C)c1	873758467	RHLLCYFQEWPNDU-UHFFFAOYSA-N	318.406	1.303	50	20	DDGD	
CCCn1cc(C=NNC(=O)COc2ccccc2F)nn1	872329909	ZBFQGEMMNACMIY-UHFFFAOYSA-N	305.313	1.356	50	20	DDGD	
C#CCCOc1ccc(C=NNC(=O)COCCOC)cc1	872402823	LALAFADQHFAFMP-UHFFFAOYSA-N	304.346	1.202	50	20	DDGD	
Cc1sc(C=NNC(=O)CN(C)C)cc1Br	872347910	IAYQGTWEPPBYCM-UHFFFAOYSA-N	304.213	1.831	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)CSc2ccccc2O)co1	773544844	NMAZYWNRMRRJTN-UHFFFAOYSA-N	321.358	1.496	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)O)CCC1=NNC(=O)c1n[nH]c2c1CCCC2	1117704585	YEBHNEBDZOITPG-UWVGGRQHSA-N	318.377	1.895	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@H]2CCC[C@H]2OC)n1	774790657	WBJFNSOGFOOQMZ-GHMZBOCLSA-N	309.370	1.235	50	20	DDGD	
COc1nc(C)cc(C)c1CNC(=O)NN=c1cc[nH]c(C)c1	875220400	WCKMUJUVVXEODT-UHFFFAOYSA-N	315.377	1.659	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCc1cn2c(C)cccc2n1	875692968	UIIZPKSTTXFMGW-UHFFFAOYSA-N	305.338	1.098	50	20	DDGD	
COc1ccc2c(c1)C[C@@H](C(=O)NNc1ccc(F)cn1)CO2	874651307	MDRUJBQXZFUUOK-LLVKDONJSA-N	317.320	1.924	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@@H]2Cc3ccccc3O2)c1Cl	1116302354	UKQROHVYFGWIIZ-JTQLQIEISA-N	305.725	1.159	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NNc1c(C)cccc1F	771343969	KAEHUXZCIMJAJW-PWSUYJOCSA-N	308.357	1.675	50	20	DDGD	
CC[C@]1(CO)CCCN([C@@H](C)C(=O)NNC(=O)CC(C)C)C1	778331135	MAHJDSMLNSTXPN-BBRMVZONSA-N	313.442	1.053	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21	779918851	ZYVRGFDXOIHJQD-DAXOMENPSA-N	313.357	1.214	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)C1CCSCC1	777431090	WRJHPZBMZWTXTG-LBPRGKRZSA-N	313.467	1.590	50	20	DDGD	
COCCOC[C@H](C)NC(=O)NNc1cc(Cl)ccn1	778697166	MREZITODCVNFSK-VIFPVBQESA-N	302.762	1.413	50	20	DDGD	
Cn1cnc(NC(=O)NC[C@@]2(C)C[C@@H]2Br)cc1=O	888495596	AMQYMHIVHNTVCA-WRWORJQWSA-N	315.171	1.075	50	20	DDGD	
C=CCOc1ccc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC)cc1	771986293	WFWCBRQFKQYCCU-NSHDSACASA-N	320.345	1.354	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@H](C[C@H]1CCCO1)C(=O)OCC	887273856	CNJZWARNGKAGJR-HRFIDBLHSA-N	310.350	1.047	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1cc(Br)nn1C	782351760	NUNDNSJVJGGYLS-YWEYNIOJSA-N	304.169	1.482	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(F)ccc2[N+](=O)[O-])nc1	781535787	HHEAXASNDOPSAK-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)CCc1ccccc1)[C@@H]1CCCOC1	780042187	BPJIXRKNBDXCCS-UKRRQHHQSA-N	319.405	1.765	50	20	DDGD	
COCCCNC(=O)NN=Cc1nc2ccc(OC)cc2s1	788714476	JQAKYDBIASKYNY-UHFFFAOYSA-N	322.390	1.975	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCc1cccc2cc[nH]c12	786259409	OOSNSDWIZCHHDQ-UHFFFAOYSA-N	323.356	1.636	50	20	DDGD	
COC1(CO)CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)CC1	787587777	UQAGUSVMIWPFFQ-UVTDQMKNSA-N	316.357	1.299	50	20	DDGD	
CNC(=O)NNC(=O)c1ccnc(Oc2ccc(F)cc2F)c1	788741388	IALCJWXBAGHMPK-UHFFFAOYSA-N	322.271	1.726	50	20	DDGD	
COc1cccc(NNC(=O)Cc2cnn(-c3ccccc3)n2)n1	780771832	CFLZDKGWVWOXCP-UHFFFAOYSA-N	324.344	1.357	50	20	DDGD	
Cc1noc(C(F)(F)F)c1C(=O)NNC(=S)NC(C)(C)C	899996247	HZQGJMPCRUYQAE-UHFFFAOYSA-N	324.328	1.909	50	20	DDGD	
COc1ccc(NNC(=O)c2cc3nn[nH]c3cc2F)cc1	781921813	XXFCEBKMWLLICR-UHFFFAOYSA-N	301.281	1.863	50	20	DDGD	
COc1cccc(NNC(=O)NCc2ccn(C(C)C)n2)n1	780021983	BEJYHLZBHVQYTI-UHFFFAOYSA-N	304.354	1.694	50	20	DDGD	
C[C@@H](O)c1ncc(C(=O)NNC(=S)NC(C)(C)C)s1	899997539	XJGQQPSFGFQXOV-ZCFIWIBFSA-N	302.425	1.104	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2ccc3c(c2)NC(=O)CO3)n1	794566901	JWMXCIHTHJYTFL-UHFFFAOYSA-N	310.313	1.485	50	20	DDGD	
CSSCCNC(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C	790875018	BTUZOSUKGNQXBK-RKDXNWHRSA-N	312.482	1.215	50	20	DDGD	
Cn1nc(C(=O)NNc2cc(Cl)cc(Cl)c2)ccc1=O	791716756	YVYFGAIUZTWUTB-UHFFFAOYSA-N	313.144	1.844	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1CC[C@@H](CC(=O)OC)[C@H]1C	794486175	OUDFUQLXFALOPN-OLZOCXBDSA-N	311.426	1.800	50	20	DDGD	
CC(=NNC(=O)c1ccc(O)c(O)c1)c1ccccc1C(=O)O	794557744	MVSMQTYSRYIWAT-UHFFFAOYSA-N	314.297	1.950	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H](C)Cc2ccncc2)n1	792973845	IZBMQAWPFLYJQY-LBPRGKRZSA-N	313.361	1.360	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccnc(F)c2F)c1	791578522	VOAWHKRJPGXLRM-UHFFFAOYSA-N	302.240	1.306	50	20	DDGD	
CCOc1cc(C=NNC(=O)N2CCN(C)CC2)ccc1O	790181592	NTKYSKPWNCMSLL-UHFFFAOYSA-N	306.366	1.082	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)c2ccnc(O)c2)cc1OC	790281174	DPCRGCPCIXGXIY-UHFFFAOYSA-N	315.329	1.958	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1ccc(S(N)(=O)=O)cc1	790596644	LHZCEKGSXUDSQW-UHFFFAOYSA-N	321.362	1.186	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCc2ccc(O)cc2)n1	792811358	KCUOJPVSMPZLEN-UHFFFAOYSA-N	300.318	1.240	50	20	DDGD	
C[C@H]1CCC[C@@H]1CNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	798511361	MINCZKDLWRDBGS-CMPLNLGQSA-N	320.349	1.975	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cccc(N3CCNC3=O)c2)cc1	1319481688	DAEJSEBHEGTYLO-UHFFFAOYSA-N	321.340	1.845	50	20	DDGD	
CC(C)c1nc(C=NNC(=O)CNC(=O)c2ccco2)cs1	1318120099	FPSCEFFEPADVNS-UHFFFAOYSA-N	320.374	1.740	50	20	DDGD	
C[C@@](O)(CC(=O)NNc1cncc(Br)c1)C1CC1	1324494603	XDWZXCKLMYWHGK-GFCCVEGCSA-N	314.183	1.838	50	20	DDGD	
O=C(O)c1cccc(C=NNC(=O)c2n[nH]c3c2CCCC3)c1	1324253559	HOGNWCHVFSPRQO-UHFFFAOYSA-N	312.329	1.751	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2ccc(Cl)nn2)cc1	1323736738	ZRVBNUSHFJKGAA-UHFFFAOYSA-N	316.708	1.083	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H](Br)C(C)(C)C	1320557992	RRGTXLKMMJBUEG-SSDOTTSWSA-N	310.261	1.700	50	20	DDGD	
N#Cc1ccc(CC(=O)NNC(=O)c2n[nH]c3c2CCCC3)cc1	1321111956	UYAZLJOGFKPLMD-UHFFFAOYSA-N	323.356	1.164	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C[C@@H](CC#N)c1ccccc1	1321496255	JSJSKHNFCRRPKB-CYBMUJFWSA-N	304.419	1.978	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)c1cccc2cccnc12	1336316445	QLCVLDBYZPLOHY-TZMCWYRMSA-N	313.357	1.811	50	20	DDGD	
CC(C)[C@H]1C[C@H](C(=O)NNC(=O)CNc2ccccc2)CCO1	1333627872	ANORTVMNRZFICN-UKRRQHHQSA-N	319.405	1.697	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)COCc2cc(C)on2)c1	1339085603	NKJNKAGPFITGKI-UHFFFAOYSA-N	309.347	1.331	50	20	DDGD	
O=C(CSCc1cccs1)NNC(=O)Cc1ccncc1	1330694096	HMXBNHGNYBIECQ-UHFFFAOYSA-N	321.427	1.766	50	20	DDGD	
N#Cc1ccc(F)c(CNC(=O)NNc2ncncc2Cl)c1	1341182690	JQUQEAGZVBFXJH-UHFFFAOYSA-N	320.715	1.967	50	20	DDGD	
Cc1cccc(C)c1CN(C)C(=O)NNC(=O)c1ncccn1	1343540304	BALQVPZJNDOIMS-UHFFFAOYSA-N	313.361	1.580	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)C1(C(=O)O)CCC1	1605709162	PILUWHDADGXFKI-UHFFFAOYSA-N	310.737	1.285	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2cccc(C#CCO)c2)cc1	1608781791	RCJHWOIBTCQPRE-UHFFFAOYSA-N	324.336	1.414	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=Cc2cc(C(=O)O)co2)cc1	1601110089	HEUHIEBXDLEAQA-UHFFFAOYSA-N	313.269	1.379	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNC(=O)c2cc(Cl)ccc2O)[nH]1	1608875014	GGKGULQBMFHVKU-UHFFFAOYSA-N	323.692	1.147	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])o1	1602324462	ONSFBLYFYHTICS-UHFFFAOYSA-N	309.209	1.782	50	20	DDGD	
O=C(/C=C/C1CCOCC1)NNc1ccc(C(=O)O)cc1F	1601234181	XPXZJYCLWWZFHB-DAFODLJHSA-N	308.309	1.950	50	20	DDGD	
O=C(NC[C@H]1CCCOC1)NNc1ccc(C(=O)O)c(F)c1	1601485550	YATBBMHROGFADO-SECBINFHSA-N	311.313	1.577	50	20	DDGD	
O=C(O)CC1CC(NC(=O)NNc2nc3cccnc3s2)C1	1601943869	YIGORXRPXZDXHA-UHFFFAOYSA-N	321.362	1.571	50	20	DDGD	
O=C(O)[C@H]1CCCN1Cc1cn(/C=C\CBr)nn1	1605998865	OTKPUFXRMIQKNL-LGIFSFGNSA-N	315.171	1.193	50	20	DDGD	
Cc1cc(C(=O)O)oc1C(=O)NNC(=O)CNc1ccccc1	1600133743	SDTGUXCMQMOMGO-UHFFFAOYSA-N	317.301	1.159	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)C1(C(=O)O)CCSCC1	1603018273	LPAVDJFELWWTAQ-UHFFFAOYSA-N	302.396	1.168	50	20	DDGD	
O=C(O)c1cnc(C(=O)NNc2cc(F)c(F)cc2F)cn1	1610861196	JOCWIIXRYPAIGS-UHFFFAOYSA-N	312.207	1.349	50	20	DDGD	
O=C(NN=Cc1scnc1C1CC1)[C@@H]1CN2CCC[C@H]2CO1	1549318575	CIMYDDYWTZEVIB-RYUDHWBXSA-N	320.418	1.334	50	20	DDGD	
CCn1c(C)cc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)c1C	1549317504	LUWRNZXATFLTNQ-HOTGVXAUSA-N	318.421	1.438	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C(=O)NN=C1CC[C@H]2C[C@H]12	1549905025	PFIAPSXSAZDZEC-ZJQBRPOHSA-N	302.378	1.790	50	20	DDGD	
CC(C)[C@@H](N)C(C)(C)C(=O)NNC(=O)c1ccc(Cl)nc1	1575447884	UIWRGLYVJNLJFK-LLVKDONJSA-N	312.801	1.506	50	20	DDGD	
Cc1nnc(NNC(=O)C[C@@H]2CCNc3ccccc32)nc1O	1579912853	SBKNKAQWZYUFOV-JTQLQIEISA-N	314.349	1.318	50	20	DDGD	
N[C@@H](CC(=O)NNC(=O)NCc1ccc(Cl)cc1)C(F)F	1580120918	BTPNFTDVBLJSJD-VIFPVBQESA-N	320.727	1.153	50	20	DDGD	
O=C(C(Cl)Cl)N1CC2(CCCN2C(=O)C2(F)CC2)C1	1845894776	MSSYBPVJLUPDIA-UHFFFAOYSA-N	309.168	1.496	50	20	DDGD	
O=C(NN=C1CCc2ccc(-c3nn[nH]n3)cc21)c1ccc[nH]1	1593155539	OREPRLRFUQTJRX-UHFFFAOYSA-N	307.317	1.275	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)CCCCC(=O)O	1594465720	NBYHQFFCHWAKLZ-UHFFFAOYSA-N	318.333	1.049	50	20	DDGD	
O=C(O)[C@@H]1c2ccccc2CCN1S(=O)(=O)CCCCl	1594964591	JXMVACKPMPSDKQ-LBPRGKRZSA-N	317.794	1.629	50	20	DDGD	
CC(=NNC(=O)C1CCOCC1)c1cc(C(=O)O)ccc1O	1776102318	NCFWTAVDTCSJIO-UHFFFAOYSA-N	306.318	1.357	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(OC)cc2O)cc1	16508530	QUIPLLBVDDEKFN-UHFFFAOYSA-N	316.313	1.484	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1coc(-c2ccccc2)n1	150717147	YPNHPESPCUESPF-UHFFFAOYSA-N	302.359	1.637	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	155103442	NGSOUIDTIXWRSY-UHFFFAOYSA-N	317.393	1.892	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)CCCc1nc(C2CC2)no1	155140940	PSSCTOBXXSJYMJ-UHFFFAOYSA-N	308.382	1.853	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H](C)OCC2CC2)n1	155921187	PUPBZWXGHIQMSC-LLVKDONJSA-N	307.398	1.581	50	20	DDGD	
CCOC(=O)N1CCN(CCI)CC1	190791097	GSWDHHCOUCXTDO-UHFFFAOYSA-N	312.151	1.196	50	20	DDGD	
COC(=O)C(C)(C)NS(=O)(=O)c1ccc(CCCl)cc1	37843361	JVYIRNBQLBICIM-UHFFFAOYSA-N	319.810	1.698	50	20	DDGD	
CCC(C)(C)C(=O)NNC(=O)Cc1nc2ccccc2n1C	102633085	DXRIVYJNEDOGMX-UHFFFAOYSA-N	302.378	1.699	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1	106452003	LTJQAUKKELICHL-IUCAKERBSA-N	318.299	1.468	50	20	DDGD	
Cc1noc(CCCC(=O)NNC(=O)c2cccc(C#N)c2)n1	103437060	ZOFUJOSVIZNAGN-UHFFFAOYSA-N	313.317	1.034	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1cccc(OCCOC)c1	53103301	BVNPBXIQJVAHJY-PTNGSMBKSA-N	318.373	1.771	50	20	DDGD	
O=C(CNC(=O)NNC(=O)c1ccccc1)Nc1ccccc1	56381460	PFWNLABADMFCCV-UHFFFAOYSA-N	312.329	1.269	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)c1cccc(C#N)c1	103401582	QAXXOUIYAUTKQW-UHFFFAOYSA-N	324.296	1.850	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@@H]2CCCN(C(C)C)C2)n1	105275936	SAZHBALGBIUTPO-AWEZNQCLSA-N	320.441	1.840	50	20	DDGD	
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NNC(=O)c1ccccc1F	62527352	OXKDMVPHLSXQEN-VHSXEESVSA-N	324.356	1.073	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1cccc(Cl)c1)N(C)C1CC1	171696789	WYHNCFIAMGFQIH-JTQLQIEISA-N	324.812	1.767	50	20	DDGD	
CC(C)(C)c1nc(CC(=O)NNC(=O)c2ccncc2)cs1	171181204	UQSFRXIYCQVHDY-UHFFFAOYSA-N	318.402	1.839	50	20	DDGD	
Cc1sc(=O)n(CC(=O)NNc2ccc(Cl)nn2)c1C	118501288	WAKVRCYIGCXPLE-UHFFFAOYSA-N	313.770	1.113	50	20	DDGD	
Cc1nc(COc2ccccc2C(=O)NNC(=O)C(C)C)no1	23621133	SLFOQGSKWURULM-UHFFFAOYSA-N	318.333	1.374	50	20	DDGD	
COC[C@@H](C)CNC(=O)NNC(=O)c1c[nH]c2ccccc12	170891158	LIFVIQUYGZJYHZ-JTQLQIEISA-N	304.350	1.394	50	20	DDGD	
O=C(NNC(=O)C1[C@H]2CCC[C@@H]12)c1ccc2c(c1)OCCO2	177621754	KXPLIRGPOSCPRH-BVUQATHDSA-N	302.330	1.265	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	119771162	IBWHOCUKNOHPAR-DYVFJYSZSA-N	322.405	1.769	50	20	DDGD	
CCCCCC(=O)NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1	111053561	RNEULKNIGYAYKR-UHFFFAOYSA-N	320.397	1.898	50	20	DDGD	
CCNC(=O)NNS(=O)(=O)c1ccc(-c2coc(C)n2)cc1	117229055	YLCWSFMOWOAKII-UHFFFAOYSA-N	324.362	1.162	50	20	DDGD	
CCOCC(=O)NNC(=O)c1cc(-c2ccc(CC)cc2)n[nH]1	171770152	IGRUMHQZSWLTGM-UHFFFAOYSA-N	316.361	1.437	50	20	DDGD	
O=C(C[C@@H]1CCCO1)NNC(=O)c1cc(-c2cccs2)n[nH]1	178005188	NEKIOBJOCPKXSN-VIFPVBQESA-N	320.374	1.468	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)NC2CC2)c(OC)c1	64428933	QGAWSUQMMKEBJC-XBXARRHUSA-N	305.334	1.210	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)NCc1ccco1	120156680	QHKMMPOVMIOJFJ-UHFFFAOYSA-N	312.329	1.834	50	20	DDGD	
Cc1ccc(C(C)(C)C(=O)NNC(=O)Cc2cc[nH]n2)cc1	186104879	NDZTWNFYWKHTTP-UHFFFAOYSA-N	300.362	1.386	50	20	DDGD	
COCCC[C@H](C)C(=O)NNC(=O)COc1cc(C)ccc1C	182637401	XIHYZWMASZUWAI-AWEZNQCLSA-N	322.405	1.892	50	20	DDGD	
Cc1cc(NNC(=O)CNC(=O)c2cccc(F)c2)nc(C)n1	128745015	VQWWUDCYVABELC-UHFFFAOYSA-N	317.324	1.106	50	20	DDGD	
C[C@H]1CCC[C@H](N(C)CC(=O)NNC(=O)c2ccccc2)C1	182044891	KRXOQWBKGYXIGN-ZFWWWQNUSA-N	303.406	1.958	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cccc(F)c1C#N)C1CC1	189206668	XTKYUYLXGBGERW-MRVPVSSYSA-N	306.366	1.605	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc(OC)c(C)c1	77710385	HKSJYJORJOJPIX-SECBINFHSA-N	300.380	1.359	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CC2CCCC2)cc1C	72576451	QUZKCJNBXPREMR-UHFFFAOYSA-N	317.389	1.970	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1csc(-c2cccs2)n1	32259575	BPNCOYNQWCTDBD-VIFPVBQESA-N	323.399	1.812	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cccc(O)c2O)cc1	186779023	NIVPAPIIAFAOLN-UHFFFAOYSA-N	300.314	1.735	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)[C@@H]1Cc2ccccc2O1	73302479	IDIQJXWSQNOGCE-HNNXBMFYSA-N	311.341	1.250	50	20	DDGD	
C[C@@H](NC(=O)CC(C)(C)C)C(=O)NNc1ccc(Cl)nn1	188284577	HVLHVHHWMGQWMC-MRVPVSSYSA-N	313.789	1.514	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc([N+](=O)[O-])c2cccnc12	129567135	KWBVETWFJGWWJN-UHFFFAOYSA-N	317.305	1.495	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(F)c(O)c(F)c2)c(O)c1	184154233	XKYGGSZSJMDVHW-UHFFFAOYSA-N	322.267	1.759	50	20	DDGD	
COc1nccnc1NNC(=O)c1n[nH]c2c1CCCCC2	188167970	OOWRUXUOBSRRBK-UHFFFAOYSA-N	302.338	1.234	50	20	DDGD	
CCC[C@H]1C[C@H](C(=O)NNC(=O)NCc2ccco2)CCO1	183617365	NMZWGGISQGIPEB-NEPJUHHUSA-N	309.366	1.705	50	20	DDGD	
Cc1ccc(CCCC(=O)NNC(=O)c2cnn(C)c2)s1	79508753	OUVMXZJXKMROQX-UHFFFAOYSA-N	306.391	1.574	50	20	DDGD	
CN(CCCNC(=O)NNc1cccnn1)c1ccccc1	77339425	KDWYIDVMUJHYPL-UHFFFAOYSA-N	300.366	1.629	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](c1ccccc1)N(C)C	184360325	ICENBVDGERZKHV-GFCCVEGCSA-N	301.350	1.231	50	20	DDGD	
Cc1ccccc1CNC(=O)NNc1ccc(-n2cccn2)nn1	43479182	PJRTUJXWGSGTLB-UHFFFAOYSA-N	323.360	1.797	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cccnc1SC(F)(F)F	49037035	LRTCQKASKVNDLR-UHFFFAOYSA-N	305.281	1.865	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccncc1C(F)(F)F	193101689	XSHMZCVEKXLNFB-UHFFFAOYSA-N	324.262	1.499	50	20	DDGD	
O=C(CCc1ccncn1)NNC(=O)c1cccc2ncccc12	192351067	CZAQEOYQNVRPLI-UHFFFAOYSA-N	321.340	1.419	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CCc1cnn(-c2ccccc2)c1	80085687	YBQUZNMADUFOHN-UHFFFAOYSA-N	314.389	1.998	50	20	DDGD	
O=C1COc2cc(C(=O)NNc3cccnc3Cl)ccc2N1	85684695	JXNRQHFNXAVPKE-UHFFFAOYSA-N	318.720	1.823	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc([S@](C)=O)cc2)n1	192983689	RCVSHCHYKAKWDN-NRFANRHFSA-N	304.375	1.588	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NN=Cc1ccccn1	254619131	XYXPATBKPUCCGG-UHFFFAOYSA-N	300.274	1.519	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cc(Cl)ccc1[N+](=O)[O-]	255914779	QOBCFSOVQXNLII-UXBLZVDNSA-N	309.709	1.918	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNc2nc(-c3ccncc3)no2)O1	268076011	BSNNIEGPARKOEK-GHMZBOCLSA-N	303.322	1.532	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC(C(=O)NNc2cccnn2)CC1	265501114	CKLHJTCMABHWRD-UHFFFAOYSA-N	321.381	1.567	50	20	DDGD	
CCSCC[C@H](C)NC(=O)NNc1nc(C)cc(OC)n1	266919810	BYERLIFOZAJNSR-VIFPVBQESA-N	313.427	1.951	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)O1	268361918	UGKIRPOTEAEZJA-SUHUHFCYSA-N	324.352	1.698	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cc(OC)cc(OC)c1	268971951	OKVFLJUTABQJLA-SECBINFHSA-N	316.379	1.059	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCC(=O)Nc1c(C)cccc1C	269543467	BQMYFMNYOGLAAK-JLHYYAGUSA-N	301.346	1.802	50	20	DDGD	
N[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)NNc1nc(-c2ccccc2)no1	269222456	LGYXGXDRRXJWPI-WUHRBBMRSA-N	313.361	1.553	50	20	DDGD	
Cc1ccc(-c2ocnc2C(=O)NNC(=O)NC2CC2)cc1	266024877	CHVDVVRVFOXWAO-UHFFFAOYSA-N	300.318	1.756	50	20	DDGD	
COC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)c2ccccc2O)C1	267477400	AZZRWKMYAHDQPV-QWRGUYRKSA-N	320.345	1.133	50	20	DDGD	
C[C@H]1CC[C@H](CC(=O)NNc2nc(O)c3cnn(C)c3n2)C1	269287674	DBNIMZKBANQWLK-IUCAKERBSA-N	304.354	1.338	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@@H]1CCCCS1	273136341	VVZOCWUZBIMNOB-ZDUSSCGKSA-N	323.418	1.540	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(C)n(-c2ccc(C)cc2)n1	272531338	JICBKEKJQMBPTO-UHFFFAOYSA-N	315.377	1.795	50	20	DDGD	
COc1ccc2c(c1)OC[C@H](C(=O)NNc1cccc(F)n1)C2	367356750	PQZCSNDCDNGTCS-LLVKDONJSA-N	317.320	1.924	50	20	DDGD	
C[C@@](O)(CN1CC=C(C#N)CC1)c1ccc(S(C)(=O)=O)cc1	272635444	KXHNTGVWIDNHGV-MRXNPFEDSA-N	320.414	1.453	50	20	DDGD	
CCCOCC(=O)NNC(=O)CSc1ccccc1OC	270687049	WOMRMNIIJSNTFY-UHFFFAOYSA-N	312.391	1.361	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CCc2cnn(C)c2C)n1	270489178	LUKQHBICVRGQEM-UHFFFAOYSA-N	308.773	1.556	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2c(C)cccc2F)[C@@H]1OC	275305356	QVQCEDMILKKWAO-BZPMIXESSA-N	311.357	1.953	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@H]2CCCC2(C)C)c1O	274998024	ZWJAJOWHEHXFSK-LLVKDONJSA-N	306.362	1.988	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C(C)(C)O)cc1OCC	276166958	ATEHXSOGSNGPIE-UHFFFAOYSA-N	310.350	1.016	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccccc1N1CCCC1	274377937	FPLQVYCAHSFVAG-UHFFFAOYSA-N	305.382	1.985	50	20	DDGD	
CCc1n[nH]c(=O)c(C(=O)NNc2ncccc2C)c1CC	276710950	KGZARHMUOHKPTI-UHFFFAOYSA-N	301.350	1.355	50	20	DDGD	
CCc1nn(C)c(OC)c1CNC(=O)NNc1ncccc1C	276726391	UKAZCUNUQNCRNE-UHFFFAOYSA-N	318.381	1.521	50	20	DDGD	
CC(C)OCc1ccc(NC(=O)C(=O)NNC(=O)C2CC2)cc1	274079435	QWNYKPVZDNZPBG-UHFFFAOYSA-N	319.361	1.108	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](C)NC(=O)C2CCCC2)nc1	275505702	HTOUGYMYFLBRIW-SNVBAGLBSA-N	306.366	1.228	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NOC[C@@H]2CCOC2)cc(C#N)n1C	276498075	UIPSRZKFYXDPKX-ASUWMBMTSA-N	314.345	1.196	50	20	DDGD	
COC(=O)C1(C(=O)NNC(=O)Nc2ccc(Cl)cc2)CC1	283793834	UMZMHIWMWMMARX-UHFFFAOYSA-N	311.725	1.446	50	20	DDGD	
COC[C@H]1CCCCN(S(=O)(=O)CBr)C1	375133025	BWRMIELORPVOTP-VIFPVBQESA-N	300.218	1.417	50	20	DDGD	
N#Cc1ccc(NNC(=O)C2CCN(CC(F)F)CC2)cc1	287834726	CHYASPXOTUUPMC-UHFFFAOYSA-N	308.332	1.978	50	20	DDGD	
CC(C)(CCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)[N+](=O)[O-]	294175351	DJEASIATQKTVOI-UHFFFAOYSA-N	324.293	1.191	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cc([N+](=O)[O-])n[nH]1	805380678	GGMKKAPKJYTMHM-UHFFFAOYSA-N	306.238	1.291	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccoc1CC(N)=O	803041158	JWPMSYRJPJZPGJ-UHFFFAOYSA-N	324.340	1.921	50	20	DDGD	
CN(C)c1cc(C#N)cc(C(=O)NNC(=O)CC(C)(C)C)c1	292893170	ZSTNVUBNHBTUDZ-UHFFFAOYSA-N	302.378	1.821	50	20	DDGD	
Cn1cc(C(=O)NNc2cccc(F)n2)c(C(F)(F)F)n1	804765769	WZKCLAAEDICGJN-UHFFFAOYSA-N	303.219	1.730	50	20	DDGD	
CCC1(NCC(=O)NNC(=O)c2ccc(F)cc2)CCCC1	298545416	XZFSDFPHDUKNIX-UHFFFAOYSA-N	307.369	1.899	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNC(=O)c1cccc2ccccc12	806917072	OPIDKQUEOPDODV-UHFFFAOYSA-N	321.336	1.822	50	20	DDGD	
C[C@@H]1CCCN(c2cc(C(=O)NNC(=O)C3CC3)ccn2)C1	290923144	HYJBSVWKCJQKAM-LLVKDONJSA-N	302.378	1.489	50	20	DDGD	
CC(=O)N1CCC[C@@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	295733580	RULLFACQADSFEB-SNVBAGLBSA-N	316.283	1.554	50	20	DDGD	
CSCC(C)(C)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	800313467	BNUUZODITLOMDA-SNVBAGLBSA-N	318.439	1.501	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C12CCCN1CCC2)c1ccccc1	290706488	GJSRTIATMXTDRK-OAHLLOKOSA-N	315.417	1.956	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)C1(S(C)(=O)=O)CCCC1	299525925	BBRONVDUIGBPAV-UHFFFAOYSA-N	324.402	1.113	50	20	DDGD	
CC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1cn(C)c(C)n1	800803889	OWJWTWIGRKZXDT-UHFFFAOYSA-N	301.306	1.791	50	20	DDGD	
Cc1ncc2n1CC[C@H](C(=O)NNC(=O)c1ccc(C#N)cc1)C2	290280616	XCPKDHRTGDVDAF-AWEZNQCLSA-N	323.356	1.087	50	20	DDGD	
CC(C)[C@H]1C[C@@H](CC(=O)NNC(=O)N=c2cc[nH]cc2)CCO1	802033643	HRQUZHUSJSTVGZ-GXTWGEPZSA-N	320.393	1.498	50	20	DDGD	
COc1nccc(NC(=O)NNC(=O)c2ccccc2F)n1	801725446	BCGVNASHDGAMDW-UHFFFAOYSA-N	305.269	1.091	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)[C@H](F)C(F)(F)F)c1	290503889	SQJXYFRWRGNGNM-QMMMGPOBSA-N	314.260	1.434	50	20	DDGD	
O=C(Cc1ccc(F)cc1Cl)NNC(=O)[C@H]1CCCCO1	295268375	BQUBSKGHIRWKIE-GFCCVEGCSA-N	314.744	1.738	50	20	DDGD	
COc1cccc2c(C(=O)NNC(=O)c3ccccc3C)n[nH]c12	809143268	OTUFNFFIDBOSFU-UHFFFAOYSA-N	324.340	1.955	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NNc1cccc(F)n1	804768146	PMHCLIBECCAOAP-XPTSAGLGSA-N	303.293	1.892	50	20	DDGD	
CCOCc1cccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)c1	296605720	YFALFFIFHRDCII-AWEZNQCLSA-N	321.377	1.945	50	20	DDGD	
CN1C(=O)CC[C@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	819747549	UEQAEKKKUOBOBQ-ZETCQYMHSA-N	303.149	1.452	50	20	DDGD	
O=C(NNC(=O)c1conc1C(F)(F)F)c1ccccc1F	816814448	RAUQHXOCRXJHMG-UHFFFAOYSA-N	317.198	1.907	50	20	DDGD	
CO[C@H](C)[C@@H](C)NC(=O)NN=c1sc2ccccc2n1C	811957622	GKGKIEYNOIHUOQ-NXEZZACHSA-N	308.407	1.778	50	20	DDGD	
CCOc1ccc(NNC(=O)Cc2noc(C)c2C#N)cc1	817885582	FCUMVZXCDZTNIZ-UHFFFAOYSA-N	300.318	1.939	50	20	DDGD	
CSCc1cnc(C=NNC(=O)Cn2nc(C)cc2C)s1	814752800	DYJNKOFVILUMCN-UHFFFAOYSA-N	323.447	1.970	50	20	DDGD	
C[C@H](CBr)CN1CCC[C@@H](n2cc(CO)nn2)C1	815142791	ZBCYMKRZEWZTST-ZYHUDNBSSA-N	317.231	1.438	50	20	DDGD	
CC(=O)N[C@H]1CCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C1	817280418	FMALRHMYRSTFLF-CODCLWSRSA-N	300.318	1.670	50	20	DDGD	
CC(C)CCOc1ccc(C(=O)NNc2cnnn2C)cc1	816770573	DEQCRFVANOENFF-UHFFFAOYSA-N	303.366	1.997	50	20	DDGD	
COCCN(C)NC(=O)c1nc(Br)ccc1F	816561984	UGSVBSGQHADUNZ-UHFFFAOYSA-N	306.135	1.206	50	20	DDGD	
CC(=O)Nc1cccc(CC(=O)NNC(=O)CC(F)(F)F)c1	819846222	XLBMWKPCKBOISX-UHFFFAOYSA-N	317.267	1.287	50	20	DDGD	
CCc1nc(C)c(C(=O)NNc2ccc(S(C)(=O)=O)cc2)o1	815852375	ROJBCVKDEYZYJY-UHFFFAOYSA-N	323.374	1.706	50	20	DDGD	
O=S(=O)(CBr)N1C[C@H](CO)Cc2ccccc21	813708909	AMSTUVKVQAVSTP-SECBINFHSA-N	320.208	1.340	50	20	DDGD	
Cc1nc2n(n1)C[C@@H](NC(=O)NNc1ccc(F)cc1)CC2	727228199	ATZSZJPZJLHCEN-LBPRGKRZSA-N	304.329	1.367	50	20	DDGD	
CC[C@@H]1CC(=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CCO1	820967423	OPSYYJLSYPIMAC-CYBMUJFWSA-N	314.349	1.542	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NNc2ccccn2)cc(C#N)n1C	490813461	PLNRYFBCDNJIFB-QPEQYQDCSA-N	306.329	1.650	50	20	DDGD	
O=C(NNc1cccc(F)c1F)c1ccc(-c2nn[nH]n2)[nH]1	826449194	GKYSMNNXZBMZCI-UHFFFAOYSA-N	305.248	1.230	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)Cc1cccc(C#N)c1	827315654	SZDJUDFRSNEVCR-FZMZJTMJSA-N	316.361	1.156	50	20	DDGD	
Cn1ccc2c(C(=O)NNC(=O)c3ccccc3O)cccc21	726980285	VNTMVCNBVUNZKL-UHFFFAOYSA-N	309.325	1.959	50	20	DDGD	
O=C(NN=CCc1ccc(F)cc1)c1ccc(-c2nn[nH]n2)cc1	823269722	MZGMFCMHTBFFIV-UHFFFAOYSA-N	324.319	1.964	50	20	DDGD	
Cc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)N2CCOCC2)cc1C	824620810	ADVAABZVMNDXEG-LSDHHAIUSA-N	317.389	1.480	50	20	DDGD	
COC(=O)C[C@@H](NS(=O)(=O)CCl)c1ccc(OC)cc1	829816775	GYZZQKBPTXEYOE-LLVKDONJSA-N	321.782	1.415	50	20	DDGD	
COc1ccc(CNC(=O)/C(C#N)=C\c2c(C)cnn2C)cc1	490942910	PRQFGKNXCDXAGR-ZSOIEALJSA-N	310.357	1.961	50	20	DDGD	
CCCCN1CCC(NC(=O)/C(C#N)=C\c2cnn(C)c2)CC1	491080302	CVLAHUCEOJTQOK-GDNBJRDFSA-N	315.421	1.708	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C2(C(=O)C3CC3)CC2)c1	822194793	SBNCGNNHYVCCCR-UHFFFAOYSA-N	316.357	1.281	50	20	DDGD	
CCN([C@H]1CCN(c2ccccc2)C1=O)S(=O)(=O)CCl	820791329	PAAZBCUMIRYKII-LBPRGKRZSA-N	316.810	1.640	50	20	DDGD	
O=C(N[C@@H]1CCC12CCCCC2)c1ccc(B(O)O)c(F)c1	584980413	ZEKBBKZKSMXCQW-CQSZACIVSA-N	305.158	1.348	50	20	DDGD	
CCOC(=O)NNC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C	496406673	PQSGGKIXDYWHRN-SNVBAGLBSA-N	315.370	1.553	50	20	DDGD	
Cc1ccc(SCCNCc2cccc(B(O)O)c2)cc1	585017046	JKGJCCPICBXZPS-UHFFFAOYSA-N	301.220	1.557	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)C1(Br)CC1	820975563	SACRLMUPVAIRHE-UHFFFAOYSA-N	311.179	1.612	50	20	DDGD	
CCC[C@H](CC(C)C)C(=O)NNc1nc(O)c2cnn(C)c2n1	825826855	JUWVPWGHHZZNCQ-SNVBAGLBSA-N	320.397	1.974	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(-c2ccc3c(c2)CCO3)no1	823869289	HCVCMBQJMXHHKZ-UHFFFAOYSA-N	317.345	1.236	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1cccc(O)c1	827004777	OAZHRZPRXURMID-OUJBWJOFSA-N	307.350	1.209	50	20	DDGD	
CC(C)=CCC[C@@H](C)CC=NNC(=O)[C@H](C)NS(C)(=O)=O	728435746	HCBGEIUKSKUPPM-OLZOCXBDSA-N	317.455	1.799	50	20	DDGD	
Cn1c(=NNC(=O)[C@@H]2CC[C@H]2C(=O)O)sc2ccccc21	901866733	WCZHYXACNFJECV-RKDXNWHRSA-N	305.359	1.283	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2ccccc2C)c(O)c1	727357558	QRBHSWCAVLFZGW-UHFFFAOYSA-N	320.370	1.632	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCN(CCC#N)CC1	827483529	NVSTXJCUHMCZGF-NSHDSACASA-N	316.243	1.854	50	20	DDGD	
Cc1cccc2c1O[C@H](C(=O)NNc1ccnc(N(C)C)n1)C2	825987420	KVSSXEPOROHTDR-LBPRGKRZSA-N	313.361	1.298	50	20	DDGD	
CC(=NNC(=O)C1CCOCC1)c1cnn(CC2CCC2)c1	901276032	HTWMZUWFLDVWNL-UHFFFAOYSA-N	304.394	1.950	50	20	DDGD	
CN(CCCCc1ccccc1)C(=O)c1ccc(B(O)O)cc1	584931649	CTCJEIQVCULIBN-UHFFFAOYSA-N	311.190	1.461	50	20	DDGD	
C#CCN(C)CCCNC(=O)NNC(=O)c1ccc(CC)cc1	491657213	JSDVLRQDYSRXET-UHFFFAOYSA-N	316.405	1.148	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1sc(N(C)C)nc1Cl	822777969	YXHDQXFYYSROCB-UHFFFAOYSA-N	319.818	1.607	50	20	DDGD	
CCN(CCS(C)(=O)=O)C(=O)[C@]1(C)C[C@H]1Br	907114782	GDVOZOVBBSUTSW-PSASIEDQSA-N	312.229	1.053	50	20	DDGD	
Cc1nnc2ccc(C(=O)NNc3cnnc4ccccc34)cn12	733809788	HOEALBFMESKNMD-UHFFFAOYSA-N	319.328	1.738	50	20	DDGD	
CC(CCCc1cccnc1)=NNC(=O)C(=O)N1CCCC1	834949190	CUQMSVMVGMCRON-UHFFFAOYSA-N	302.378	1.519	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H](C)c2nncn2C)cc1	905152694	FSZGLNNUJAWQHF-SNVBAGLBSA-N	304.354	1.601	50	20	DDGD	
Cn1cc(NC(=O)[C@@]2(C)C[C@@H]2Br)cc1C(N)=O	906959101	SKYDLUDMVJWIMC-KWQFWETISA-N	300.156	1.236	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1coc2ccccc12	901936023	DECFFJULFBIPCV-UWVGGRQHSA-N	324.358	1.167	50	20	DDGD	
CC(C)C(=O)NCCN(C)C(=O)[C@]1(C)C[C@H]1Br	907187778	NFMRQSCJXONXOI-BXKDBHETSA-N	305.216	1.391	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)NC[C@H]1CCCC1(C)C	838625071	PKCCYDZYTNEMHE-NWDGAFQWSA-N	315.414	1.195	50	20	DDGD	
O=C1C[C@H]2C[C@@H]1[C@H](C(=O)NNc1ccnc(Br)c1)C2	837540771	ZGDLTOJATWXFSW-FXBDTBDDSA-N	324.178	1.902	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCOCC2)s1)[C@@H]1CCCCO1	834988944	BLIVBDBGGHBXMA-ZDUSSCGKSA-N	323.418	1.604	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCCC(=O)C(C)(C)C)n1	830962672	YTYYVMDZTKAIHL-UHFFFAOYSA-N	305.378	1.937	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2CCS(=O)(=O)C2)c(Cl)c1	837312845	ICRCZCRJZQEGAD-VIFPVBQESA-N	317.798	1.462	50	20	DDGD	
CCC(=O)Nc1cccc(CNC(=O)NNc2cccnn2)c1	737035441	RWSXEBOKQVFCJQ-UHFFFAOYSA-N	314.349	1.651	50	20	DDGD	
COc1cc([C@H](C)NS(=O)(=O)CCl)ccc1OCCO	830614232	AWEJXWRWKDBMJW-VIFPVBQESA-N	323.798	1.243	50	20	DDGD	
CCC(C)(C)c1ccc(CNCc2ccc(B(O)O)o2)cc1	585029660	IKAFHHIUPFFYTL-UHFFFAOYSA-N	301.195	1.937	50	20	DDGD	
Cc1cc(C=NNC(=O)c2ncon2)c(C)n1C[C@@H]1CCCO1	901285990	PANATYLYHYKTKH-ZDUSSCGKSA-N	317.349	1.431	50	20	DDGD	
C[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]2CCCC[C@@H]12	584929207	OOVHMLVSQJYXDV-UHOFOFEASA-N	301.195	1.407	50	20	DDGD	
C[C@@H]1CCCCC1=NNC(=O)CSc1nnc(O)nc1O	730556551	OGETTWLBVMPPIM-SSDOTTSWSA-N	311.367	1.057	50	20	DDGD	
O=C(c1ccc2ccc(Cl)cc2n1)N1CC[C@@H](B(O)O)C1	585064527	HHZNHJIONBFTPZ-SNVBAGLBSA-N	304.542	1.577	50	20	DDGD	
O=C(c1occc1COc1ccccc1)N1CC[C@@H](B(O)O)C1	585071887	CNARXTKGVMNGJI-CYBMUJFWSA-N	315.134	1.548	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNC(=O)CNc1ccc(OC)cc1	839482468	CHVCWGAEQKXAQG-ZDUSSCGKSA-N	309.366	1.070	50	20	DDGD	
CC(C)Oc1ncccc1NCc1ccc(B(O)O)cc1F	585030611	VYIOXSOKGCTYTI-UHFFFAOYSA-N	304.130	1.300	50	20	DDGD	
CC(C)(CC#N)CNC(=O)NNC(=O)COc1ccccc1O	838754275	YNIFRDBRYXNCHY-UHFFFAOYSA-N	320.349	1.041	50	20	DDGD	
Cc1nc(CC(=O)NNc2ccc(Br)c(C)c2)n[nH]1	830805777	CSKPZONQAYAILV-UHFFFAOYSA-N	324.182	1.870	50	20	DDGD	
C[C@@H](N)C[C@@H](C)NC(=O)NNC(=O)c1cccc2ncccc12	831212385	OMIKUTHJMCCJPK-GHMZBOCLSA-N	315.377	1.305	50	20	DDGD	
O=C(NNc1cnccn1)c1ccc2c(O)nc(S)nc2c1	734242649	RINHIOMCDYVJKF-UHFFFAOYSA-N	314.330	1.171	50	20	DDGD	
C[C@H]1CCCN(C(=O)COC(=O)/C(C#N)=C/c2cnn(C)c2)C1	837970134	YJQGLAPFSZBCAI-VWBIBIBXSA-N	316.361	1.129	50	20	DDGD	
CCOc1ccc(C=NNC(=O)c2cnn(C)c2)cc1OCC	735412028	HPMBWNHPFRWSOM-UHFFFAOYSA-N	316.361	1.981	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2ccn(C(C)C)n2)n1	739050836	BAVPIZGKYZOFPA-UHFFFAOYSA-N	303.370	1.697	50	20	DDGD	
Cc1ccc(C(=O)N2CCN(S(=O)(=O)CCl)CC2)s1	830147890	KPBYVOJVZFZTCA-UHFFFAOYSA-N	322.839	1.340	50	20	DDGD	
COC[C@H](Cc1ccccc1)NC(=O)NNC(=O)c1ccc[nH]1	746783092	ZZUDITDWTNDORO-ZDUSSCGKSA-N	316.361	1.216	50	20	DDGD	
CC(C)n1ccc(CC(=O)NNC(=O)NC2CCCCC2)n1	742473032	ZSDBRENSCXWYNK-UHFFFAOYSA-N	307.398	1.670	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@@H](C)C1CCCCC1	748635158	OGKQOKTUDUQAPF-NWDGAFQWSA-N	315.414	1.337	50	20	DDGD	
NC[C@@H](NC(=O)NNC(=O)CCCc1ccccc1)C1CC1	841949298	ZUMTYNSZBWRMJX-CQSZACIVSA-N	304.394	1.077	50	20	DDGD	
CC[C@H](Nc1ccccc1)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843973450	LHFCDQNXLFFUCX-BNOWGMLFSA-N	305.378	1.450	50	20	DDGD	
O=C(NNc1ccccc1C(F)(F)F)N[C@H]1[C@@H]2CNC[C@@H]21	841999939	OTHTXCNLJCSAJI-VROVMSAKSA-N	300.284	1.549	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)NCc1nccs1	747105078	YTNUHUWCXUHNFA-UHFFFAOYSA-N	320.374	1.443	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(-c2ccccc2)nc1O	910169305	AMSCIZDKLPMJDN-LLVKDONJSA-N	301.346	1.412	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=S)NCCc1ccccc1	747671294	JNFQPDLRKYCRCT-UHFFFAOYSA-N	314.414	1.362	50	20	DDGD	
Cc1nc(C(C)C)ncc1C(=O)NNC(=S)NCC1CCC1	912108953	VFRDOOGDLKJTQZ-UHFFFAOYSA-N	321.450	1.817	50	20	DDGD	
COc1cccc(O)c1C(=O)NNC(=S)N[C@H](C)C1CC1	912159293	FLCWLVCODZBJEQ-MRVPVSSYSA-N	309.391	1.308	50	20	DDGD	
CCONC(=O)CNC(=O)NNc1ccc(C(C)(C)C)cc1	845539826	JSHCGAZHBAYXCM-UHFFFAOYSA-N	308.382	1.678	50	20	DDGD	
COc1ccc(CN(C)CC(=O)NNC(=O)C(C)(C)C)cc1C	744395441	XYXFSZJFTJUSFE-UHFFFAOYSA-N	321.421	1.629	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1c(Cl)nc2sccn12	741843750	SPNSSWSMCTTXQR-UHFFFAOYSA-N	322.781	1.937	50	20	DDGD	
Cc1n[nH]c(C)c1C=NNC(=O)Cc1nc2ccccc2n1C	915946498	NPBJLNIWXYHDPT-UHFFFAOYSA-N	310.361	1.606	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1cccc(Br)c1C	747595774	FVNAXZQJQJXUCR-UHFFFAOYSA-N	321.196	1.477	50	20	DDGD	
Cc1cc(/C=C(\C#N)C(=O)NCC(=O)O)c(C)n1CC(C)C	740082071	VMTPNLFEKJLISA-MKMNVTDBSA-N	303.362	1.869	50	20	DDGD	
O=C(CCCc1ccc(F)cc1)NNC(=O)[C@H]1CCCCO1	847063592	QXDJKDNZYQBIMV-CQSZACIVSA-N	308.353	1.865	50	20	DDGD	
O=C(CCc1ccncc1)NNC(=O)COc1ccccc1F	916093092	CZDMEEHWGSZCPG-UHFFFAOYSA-N	317.320	1.380	50	20	DDGD	
CN(C)CCn1ccc(C(=O)NNc2ccccc2Cl)n1	847601880	KKHLNGWEVISIKJ-UHFFFAOYSA-N	307.785	1.855	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	843652728	KUFOGIMQDBUFOJ-JLPCPHJNSA-N	324.396	1.867	50	20	DDGD	
CCC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ncccn1	841577847	HFUAWARLKADZQF-VXGBXAGGSA-N	305.382	1.780	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCc1nc(C2CC2)no1	918233722	QCSKEXPYECHXEW-UHFFFAOYSA-N	315.333	1.400	50	20	DDGD	
CO[C@H](C=NNC(=O)c1cn(C)c2ccccc12)[C@H]1CCOC1	841617576	YWIJDAUWPRBXOH-BLLLJJGKSA-N	315.373	1.945	50	20	DDGD	
CC(C)(C)N1C[C@H](C(=O)NNc2ccc(C#N)cc2)CC1=O	748104947	SGUMTLWEQSLAAQ-GFCCVEGCSA-N	300.362	1.648	50	20	DDGD	
COCC(=NNC(=O)c1nnc(O)c2ccccc12)C(C)C	741458237	UGOBMJXIMPVHRL-UHFFFAOYSA-N	302.334	1.724	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@H](CC(C)C)OC	841585021	URYDKQKHANVQQB-LBPRGKRZSA-N	323.393	1.700	50	20	DDGD	
CC(C)(C)c1ncc(C=NNC(=O)C(=O)N2CCCC2)s1	748136866	UKWCWWZHCGJFMW-UHFFFAOYSA-N	308.407	1.513	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)Nc1cc(F)cc(F)c1)C(=O)O	848583307	BAFOFAXMXRECEA-LURJTMIESA-N	316.264	1.021	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc(C(=O)OC(C)(C)C)nc1	845084763	NAUSPWFGDOHVJJ-UHFFFAOYSA-N	307.350	1.454	50	20	DDGD	
O=C(NC[C@@H]1CCCN1)NNC(=O)Nc1cc(F)cc(F)c1	841937712	VSNYIHNWWWRRSA-JTQLQIEISA-N	313.308	1.053	50	20	DDGD	
Cc1cc(OCC(=O)NNc2ncccc2C(F)(F)F)no1	740097676	OUOWSRWALPBFTC-UHFFFAOYSA-N	316.239	1.919	50	20	DDGD	
CN(C)[C@@H](CC(=O)NNC(=O)c1ccc[nH]1)c1ccccc1	841376914	AIBSHCZEBFTOAR-AWEZNQCLSA-N	300.362	1.469	50	20	DDGD	
COC(=O)N1CC(NC(=O)NNc2cc(Cl)ccc2C)C1	921547351	CWUAGHTXRAXREE-UHFFFAOYSA-N	312.757	1.725	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H]1CCCN(Cc2cccnc2)C1	749216449	QXOWXUZBVHTKIE-AWEZNQCLSA-N	319.409	1.032	50	20	DDGD	
CC(=NNC(=O)Cc1cn2ccccc2n1)c1cc(O)ccc1O	747638176	MPEWEVZWZADMEA-UHFFFAOYSA-N	324.340	1.828	50	20	DDGD	
CC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1cc2n(n1)CCC2	841603533	JRDNNRLSCOODFX-UHFFFAOYSA-N	313.317	1.892	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C1(OC)CCCC1	754156334	QBZNOPPVFGUQQC-UHFFFAOYSA-N	320.389	1.734	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)N[C@@H]1C[C@@H]2CCCCN2C1=O	922816832	KFGSRMRGCKVJNK-GXFFZTMASA-N	324.331	1.744	50	20	DDGD	
CC(C)CN1C[C@@H](C(=O)NNc2ccnc(Cl)c2)CC1=O	855469057	RLZZAKHRUCQXLO-JTQLQIEISA-N	310.785	1.683	50	20	DDGD	
Cn1nncc1NNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1	857273937	WFLLMAHJXDDCBV-UHFFFAOYSA-N	304.310	1.144	50	20	DDGD	
Cn1ccnc(NNC(=O)[C@]2(c3ccccc3)CC2(C)C)c1=O	857144991	YWUWBPORYGKUJO-QGZVFWFLSA-N	312.373	1.591	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccnc2ccncc12)C1CC1	855099934	QNAKCAHCECHJAR-VIFPVBQESA-N	315.402	1.537	50	20	DDGD	
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NNC(=O)c2cc[nH]n2)o1	855362749	UKTOIZFYSWJMBA-KOLCDFICSA-N	302.334	1.520	50	20	DDGD	
CN1C(=O)CC[C@@H]1CC(=O)NC[C@]1(C)C[C@H]1Br	857733333	JDWADPSIWVKCNQ-LNLATYFQSA-N	303.200	1.287	50	20	DDGD	
CCOC(=O)c1nc(=NC[C@@]2(C)C[C@@H]2Br)cc[nH]1	856786349	GIGZDCOTPZQCBZ-QPUJVOFHSA-N	314.183	1.661	50	20	DDGD	
CCCNC(=O)NNC(=O)c1c(C)[nH]c(C(=O)OCC)c1C	921042677	JUGGTLGISVAWOE-UHFFFAOYSA-N	310.354	1.162	50	20	DDGD	
CC(C)Sc1ccc(Cl)cc1NC(=O)NNC(=O)CO	756421555	MDRNVICEXHTLIK-UHFFFAOYSA-N	317.798	1.986	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)CCCc2nccs2)n1	857486077	GEKUNSGIGVDTCS-UHFFFAOYSA-N	312.786	1.635	50	20	DDGD	
CCO[C@@H]1COC[C@H]1NC(=O)NC[C@@]1(C)C[C@H]1Br	856863179	LSWYDEOVLBBVCK-DNRKLUKYSA-N	321.215	1.263	50	20	DDGD	
CC(CN1Cc2ccccc2C1=O)=NNC(=O)c1cnccn1	754922779	LKXMOSPSKAIZLC-UHFFFAOYSA-N	309.329	1.238	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@@H]1C[C@H]1c1cccc(O)c1	855092588	KOBFANDKHQQEOL-UONOGXRCSA-N	319.430	1.791	50	20	DDGD	
CCCc1ccc(C(=O)NNC(=O)CN2CCCC2=O)cc1	920433401	SJSHTILHBAOYSP-UHFFFAOYSA-N	303.362	1.023	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)c1ccc(OC)c(OC)c1)C1CC1	858122497	HBMDXZFEYVXRCL-AWEZNQCLSA-N	322.361	1.280	50	20	DDGD	
CCOC(=O)C[C@@H]1CCCCC1=NNC(=O)N1CCOCC1	754940757	ALXMHDDUAZRAQJ-LBPRGKRZSA-N	311.382	1.528	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)C(C)(C)C)c1c(C)noc1C	754546839	XBNRNZHSFIWSIO-NSHDSACASA-N	310.398	1.526	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)[C@H]1CCc2cncn2C1	855626474	GPCSQNXQZPPACJ-VIFPVBQESA-N	319.296	1.636	50	20	DDGD	
CCC(=NNC(=O)CNc1ccccc1F)c1nccn1C	755503931	IOBOCSNXYCQZRT-UHFFFAOYSA-N	303.341	1.902	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NNc2ccnc(N(C)C)n2)C1	857859702	UYQAZCYZNAYUGZ-ONGXEEELSA-N	315.381	1.075	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNC(=S)Nc1cc(C)ccc1C	758909126	LQDOLCCICKJBIG-LLVKDONJSA-N	323.418	1.820	50	20	DDGD	
CCN(CC(C)(C)O)C(=O)NC[C@]1(C)C[C@@H]1Br	856954843	UWNQJNADGKACRE-CABZTGNLSA-N	307.232	1.962	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cc2n(n1)CCCO2	762147369	ZBMIHDFETNMSOP-UHFFFAOYSA-N	312.251	1.840	50	20	DDGD	
C[C@@H](O)c1ncc(C(=O)NNCC(F)(F)C(F)(F)F)s1	863098596	PESJNRRMJHHNHL-SCSAIBSYSA-N	319.255	1.628	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@H]2CCC(=O)N2)CN1Cc1ccccc1	863148388	AXYJBANAGIKXRE-IUODEOHRSA-N	314.389	1.032	50	20	DDGD	
CC1=C(C(=O)NNc2ncnc3ccsc23)C(=O)OC1(C)C	766681110	XGWSJERMSVZHIJ-UHFFFAOYSA-N	318.358	1.786	50	20	DDGD	
CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NNC(=O)c1cn[nH]c1	862472193	HSMJQVGBOOMYHT-WXHSDQCUSA-N	308.382	1.545	50	20	DDGD	
Cc1ccc([C@H](C)[C@@H](O)C(=O)NNC(=O)c2cccn2C)cc1	764634248	VVZWSOZZXIESOR-SWLSCSKDSA-N	315.373	1.259	50	20	DDGD	
COCCCC(=NNC(=O)[C@H]1CCC(=O)N1)c1ccc(F)cc1	863152038	CMJUDNQYYXLFIC-CQSZACIVSA-N	321.352	1.351	50	20	DDGD	
CC(=NN(C)C(N)=O)c1ccc(S(=O)(=O)CC(F)F)cc1	767906824	GANLFSNFNSNKLO-UHFFFAOYSA-N	319.333	1.460	50	20	DDGD	
C[C@H](CCOc1ccccc1)C(=O)NNC(=O)c1cn[nH]c1	862472919	XMUYLWAYSAAITH-LLVKDONJSA-N	302.334	1.276	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)cc[nH]1	862516484	SEKSPBNGWRZRTL-AULYBMBSSA-N	320.393	1.558	50	20	DDGD	
CCOC(=O)c1nn(C)cc1C=NNC(=O)c1ccccc1C	769777868	ODIXRBISQKJJTK-UHFFFAOYSA-N	314.345	1.669	50	20	DDGD	
O=C(NCc1cccc(F)c1F)NNC(=O)[C@H]1CCCCO1	868962087	NMGZZKBFQKLMEZ-LLVKDONJSA-N	313.304	1.364	50	20	DDGD	
CCCc1ccccc1NC(=O)C(=O)NNC(=O)C1CCCC1	764066382	MEOKXTMKNCPYBZ-UHFFFAOYSA-N	317.389	1.915	50	20	DDGD	
COc1cc(C)cnc1C(=O)NNCC(F)(F)C(F)(F)F	863100220	QNUMKFJPHRPFRF-UHFFFAOYSA-N	313.226	1.831	50	20	DDGD	
COc1ccc(NNC(=O)[C@@]2(C)COc3ccccc3O2)nc1	861174097	HDEZPOJKYJWJDQ-MRXNPFEDSA-N	315.329	1.763	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1C	866715706	FDAFIMDKIUZIMT-UHFFFAOYSA-N	316.317	1.625	50	20	DDGD	
Cc1c(Cl)cncc1NC(=O)NNC(=O)C1CCNCC1	1118016991	LNFNFXVYLKBPOK-UHFFFAOYSA-N	311.773	1.196	50	20	DDGD	
CN1CCC[C@H](OC(=O)[C@H](Br)C(C)(C)C)C1=O	766752742	SXOYCDMMVMJECA-IUCAKERBSA-N	306.200	1.960	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1nc(SC)ns1	764678258	LVNVHHAYOYEHRX-UHFFFAOYSA-N	313.368	1.207	50	20	DDGD	
CC(=NNC(=O)c1cc(C)[nH]n1)c1ccc2c(c1)OCCO2	764796423	HABJVMGCMRTXHU-UHFFFAOYSA-N	300.318	1.643	50	20	DDGD	
Cc1[nH]ccc(=NC(=O)NNC(=O)C2CCOCC2)c1Cl	879139133	PHYPKNMEULISHH-UHFFFAOYSA-N	312.757	1.045	50	20	DDGD	
COC(=O)N(C)NC(=O)NCC[C@H]1COc2ccccc2O1	875387919	HEVBRPSKJAOSNP-JTQLQIEISA-N	309.322	1.129	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C(C)c2cn(C)cn2)c1	872333065	YWGUOTVNAVZWPY-UHFFFAOYSA-N	302.334	1.591	50	20	DDGD	
C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NN(C)C(N)=O	778416125	ZPYBOAGWMLQISN-LURJTMIESA-N	316.701	1.057	50	20	DDGD	
CN(CCc1ccccc1)CC(=O)NNC(=O)OC(C)(C)C	873741418	XLMMHQLKGQZEKY-UHFFFAOYSA-N	307.394	1.717	50	20	DDGD	
Cc1cc(CC(=O)NNc2cccc(S(C)(=O)=O)c2)no1	776721739	WVYNNFSOBQWLKR-UHFFFAOYSA-N	309.347	1.072	50	20	DDGD	
COC[C@@H](OC)C(=O)NNC(=S)Nc1ccc(C)cc1C	873760634	UHSKHNRTSPMEBA-GFCCVEGCSA-N	311.407	1.282	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)C(=O)NN=Cc1ccccn1	771566993	CGARUURARSKMFY-UHFFFAOYSA-N	316.748	1.502	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H]1SCCc2ccccc21	875348369	KKVIUFOIZVGEEN-GFCCVEGCSA-N	309.391	1.929	50	20	DDGD	
O=C(CN(C[C@H]1CCOC1)C1CC1)NNC(=O)c1cccs1	777555195	MJNNAHAORVQLSS-LLVKDONJSA-N	323.418	1.010	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CS[C@@H]2CCCOC2)c1	779834385	SABAMYDHBQYYLE-CYBMUJFWSA-N	308.403	1.668	50	20	DDGD	
CN1CCc2cc(C(=O)NNC(=O)NCc3ccco3)ccc21	778589317	LCNHXMFQNCCJJP-UHFFFAOYSA-N	314.345	1.416	50	20	DDGD	
CN1CC[C@H](C(=O)NNC(=O)c2nc3ccccc3s2)C1	874913706	IPHPHOUGCUQXQV-VIFPVBQESA-N	304.375	1.009	50	20	DDGD	
C[C@@H](CC(=O)O)CC(=O)NNC(=O)c1cc2c(s1)CCC2	872831693	ODGJMCJNMDTYSW-MRVPVSSYSA-N	310.375	1.499	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNC(=O)c1ccc2ccccc2n1	776319551	DSQFCWXSZDYTFM-UHFFFAOYSA-N	323.356	1.578	50	20	DDGD	
O=C(NN=C1CCC[C@H]1F)c1csc(N2CCOCC2)n1	872333941	GOHKMGHKZHPKDG-SECBINFHSA-N	312.370	1.588	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C\c1ccccc1	771892954	ZTQXICIQXRPVEH-ASCRHOAZSA-N	318.373	1.825	50	20	DDGD	
N#Cc1ccc(NNC(=O)NC[C@H]2CCN(C3CC3)C2)nc1	887757633	IMAOWXZTEZMPJV-GFCCVEGCSA-N	300.366	1.064	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNC(=O)c2c[nH]c3ccccc23)cn1C	774328845	FEGLOZGMIQCAEV-UHFFFAOYSA-N	324.340	1.250	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCCOC[C@@H]1CCOC1	771320633	GHYUUSKOAZANAF-GFCCVEGCSA-N	311.357	1.813	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC1(Cc2ccc(F)cc2)CC1	771428303	RVXRGOZKAJDFPU-UHFFFAOYSA-N	323.368	1.515	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2Cc3cnccc3NC2=O)C[C@@H]1Br	1123978713	XMRSVYDWPLWBEZ-NRUUGDAUSA-N	324.178	1.235	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](O)Cc2ccccc2Cl)o1	773272954	LTFCAQNFFPDDSV-GFCCVEGCSA-N	322.748	1.606	50	20	DDGD	
C[C@H]1CCC[C@@H]([C@H](C)NC(=O)NNC(=O)C2CCOCC2)C1	883684513	JIQWAFSNLNYQFJ-SGMGOOAPSA-N	311.426	1.958	50	20	DDGD	
C[C@H](CNC(=O)NNc1ccc(C#N)cn1)N1CCCCC1	887868167	CKDKRZHVJPWQMX-GFCCVEGCSA-N	302.382	1.454	50	20	DDGD	
CCn1cnc2c1CCN(C(=O)/C(C#N)=C/c1cnn(C)c1)C2	886611664	LTIJQKICTFAPSX-AWNIVKPZSA-N	310.361	1.128	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CC[C@@H]1CC[C@H](C)O1	788165244	YDFJUTYAKIBXNA-RYUDHWBXSA-N	316.398	1.271	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NNc1c(F)cc(F)cc1F	885151403	CBTBVGGEFWIBPZ-SECBINFHSA-N	304.272	1.384	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cncc(C(F)(F)F)c1	883070592	WECPHORGBOALFC-UHFFFAOYSA-N	317.267	1.288	50	20	DDGD	
CNc1ccc(Cl)c(C(=O)NNC(=O)C2CCOCC2)c1	883070000	CQRFIGOFKKWIQQ-UHFFFAOYSA-N	311.769	1.569	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@H](C(=O)NN=c2cc[nH]c3ccccc23)C1	787999757	OMABYCXJHPMQTG-NEPJUHHUSA-N	312.373	1.392	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NC2CCCC2)c(-c2ccoc2)n1	789916687	LITNLUZQAMCZHX-UHFFFAOYSA-N	317.349	1.567	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1noc2ccc(OC)cc12	887150827	YZUFJNUPZSVHIO-UHFFFAOYSA-N	315.329	1.330	50	20	DDGD	
CCS[C@@H](C(=O)O[C@H](C)C(=O)NNC(=O)CC)C(C)C	785817725	CARYCQDLNKOFFQ-MWLCHTKSSA-N	304.412	1.253	50	20	DDGD	
CCn1cc(CC(=O)NNC(=O)c2cccc3ncccc23)cn1	780619873	VHRKUGSSTKZFAV-UHFFFAOYSA-N	323.356	1.455	50	20	DDGD	
CCC(O)(CC)CCNC(=O)NNC(=O)c1ccccc1O	788323947	KENBCMSFYAVTDR-UHFFFAOYSA-N	309.366	1.277	50	20	DDGD	
C[C@H]1CCc2[nH]nc(C(=O)NNc3nccnc3Cl)c2C1	896385826	LPMMNZHRULMPGQ-ZETCQYMHSA-N	306.757	1.735	50	20	DDGD	
C=C[C@H](CC)CC(=O)NNC(=O)CNc1ccccc1OC	891957867	OGFBTMLROUPCBM-GFCCVEGCSA-N	305.378	1.857	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1ccc(S(C)(=O)=O)s1	787141895	QQJGFFKJGCPBFY-CLFYSBASSA-N	314.388	1.212	50	20	DDGD	
COC(=O)C[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C1CC1	787416125	HKYRWMZDGDBBEF-ODDCISTRSA-N	314.341	1.757	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=Cc1cc(Cl)cs1	782240844	YBGDBVTZLRVSOH-UHFFFAOYSA-N	312.738	1.296	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H](O)[C@@H](C)c1ccc(C)cc1	798306810	VZNATKCNLPZCSY-AAEUAGOBSA-N	307.419	1.141	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCC(=O)c1cnccn1	791994687	LLNMMRASCSHOTK-GHXNOFRVSA-N	309.281	1.515	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C(=O)c2ccc(O)cc2)cc1	798152578	XBOPPXWMKYRCMO-UHFFFAOYSA-N	312.325	1.599	50	20	DDGD	
Cc1nn(CCS(C)(=O)=O)c(C)c1CN1CC=C(C#N)CC1	797975208	JKGDNHPSNJHKAW-UHFFFAOYSA-N	322.434	1.200	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)C[n+]2ccccc2)CN1Cc1ccccc1	794460847	XGCQNDSBYQIPQS-MRXNPFEDSA-O	323.420	1.741	50	20	DDGD	
COCCOCCC(=O)NNc1ncnc(Cl)c1C(C)C	798142728	QGOWDJGKDKJAHE-UHFFFAOYSA-N	316.789	1.750	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccnn1CC(F)F	790067162	MMLFUJFHCXWBCP-UHFFFAOYSA-N	310.308	1.819	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)c2ccccc2Cl)CCOC1	1318526072	LVAIFPZMRLVMLE-CQSZACIVSA-N	311.769	1.711	50	20	DDGD	
CC(C)CCNC(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1329505224	AQJZSPFWAUPWCJ-SKDRFNHKSA-N	305.216	1.438	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1Cc2ccc(O)cc2C2(CC2)C1	1324707267	SORJSHKNOLGURF-LLVKDONJSA-N	317.389	1.185	50	20	DDGD	
CO[C@H]1CCN(C(=O)NNC(=O)c2cc(C)cs2)[C@H](C)C1	1329192296	FHYRJDYCOYRBTG-MNOVXSKESA-N	311.407	1.910	50	20	DDGD	
C[C@H](COc1ccccc1F)NC(=O)NNc1ncncc1F	1326194339	UWZZQELONXOLNJ-SECBINFHSA-N	323.303	1.848	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccn1)[C@]1(O)CCSC1	1324791582	JETKSWLAYULTCR-JTQLQIEISA-N	307.297	1.412	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2cnn3ccncc23)nn1	1323202703	IFSLQQNAMWVAOK-UHFFFAOYSA-N	311.349	1.574	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)c1n[nH]c2c1CCCC2	1256323736	CPADWYGJVJVUJX-UWVGGRQHSA-N	318.377	1.055	50	20	DDGD	
O=C(NNc1cc(O)nc2ncccc12)C12CCCN1CCC2	1334290262	BEOVALPTCVRRCU-UHFFFAOYSA-N	313.361	1.407	50	20	DDGD	
CNC(=O)NC1CCN(C(=O)C2CCC(Cl)CC2)CC1	1347684664	GZMUBWUCAXKFOD-UHFFFAOYSA-N	301.818	1.704	50	20	DDGD	
C[C@@H](CC1CCCCC1)C(=O)NNC(=O)N1CCN(C)CC1	1261092707	LZIQZLXTJLYZNJ-ZDUSSCGKSA-N	310.442	1.581	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2ccncc2)c(Cl)n1	1345380542	FJPHWDFZGRDCKI-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
C[C@@H](C(=O)NNC(=S)Nc1ccccn1)N1[C@H](C)CC[C@H]1C	1352271677	FFHHXYQWNBSNNP-UTUOFQBUSA-N	321.450	1.661	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1ccc(CC(=O)O)cc1	1603323159	SRRHBBJRONOGBD-UHFFFAOYSA-N	307.350	1.903	50	20	DDGD	
N#Cc1nc(NC(=O)C2CCC(Cl)CC2)[nH]c1-c1nn[nH]n1	1606354673	PBYKTJIANMRXHA-UHFFFAOYSA-N	320.744	1.198	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)O)O1	1600305131	LUQZMUNYUALQTG-GGZOMVNGSA-N	323.305	1.225	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1cn(C(C)C)nn1	1607141636	NPPCERLGLQKWDH-UHFFFAOYSA-N	319.321	1.323	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC	1604413193	CJALHXVKTHSRHO-CSKARUKUSA-N	314.305	1.258	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)c(C)s1	1549317248	KKNHNXMGLCTDOR-KBPBESRZSA-N	307.419	1.678	50	20	DDGD	
CCO/C=C/C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Cl)C2	1802665257	FVLMZJAMLMNPBN-HKBLQRSXSA-N	318.776	1.709	50	20	DDGD	
N[C@@H](C(=O)NNC(=O)c1ccccc1)c1c(F)cccc1F	1580115019	JGVZDRDQTMDQLY-CYBMUJFWSA-N	305.284	1.426	50	20	DDGD	
NC1(CNC(=O)NNc2cccc(F)c2Br)CC1	1580150466	RJELPOFWLLHRMI-UHFFFAOYSA-N	317.162	1.706	50	20	DDGD	
CCCN1CC[C@@H](CNC(=O)NNc2ncccc2C(=O)O)C1	1589673916	WPPNYUQXVSLTQP-NSHDSACASA-N	321.381	1.138	50	20	DDGD	
O=C(NC[C@@H](C(=O)O)C1CCC1)NNc1ncc(Cl)cn1	1594736626	UVSCZZHTTRAXCP-SECBINFHSA-N	313.745	1.257	50	20	DDGD	
C[C@H](Sc1ccccc1C(=O)NNC(=O)CC1CC1)C(=O)O	1593672189	JXQYMYTWKYSUGD-VIFPVBQESA-N	322.386	1.813	50	20	DDGD	
C/C=C/CNC(=O)/C(C#N)=C\c1cc(-c2nn[nH]n2)n(C)c1C	1590353377	GQXIBKCGGGYPBJ-MDFVMQOBSA-N	311.349	1.113	50	20	DDGD	
N#C/C(=C/c1ccc(-c2nn[nH]n2)cc1)C(=O)NCc1ccco1	1592663144	TXSOLQDIFLRIKA-JYRVWZFOSA-N	320.312	1.683	50	20	DDGD	
COc1cc(/C=C(\C#N)C(=O)N=c2cc[nH]cc2)ccc1C(=O)O	1777287742	OITKIJWAHBMGGZ-XYOKQWHBSA-N	323.308	1.756	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2c(F)cc(C(=O)O)cc2F)cn1	1776044645	JKDTZGJKQQJTQC-UHFFFAOYSA-N	308.244	1.160	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccc(F)cc2)c(C)o1	15757861	DEUCSQRRKOCRNM-UHFFFAOYSA-N	306.293	1.876	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C[C@@H](C)c1c(C)noc1C	153495181	SIQBZWOMUWOXMW-SSDOTTSWSA-N	305.338	1.278	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)/C=C/c1cccs1	156104982	DRTZXJOMJCQZLW-BQYQJAHWSA-N	309.391	1.214	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CC2CCOCC2)n1	155707603	OXQAVOOMQJUMPB-UHFFFAOYSA-N	307.398	1.583	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)c2cccnc2)c1C	154584475	IDLIUYPZAOTDEV-UHFFFAOYSA-N	301.350	1.461	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2c[nH]c3ccccc23)nn1	154980349	UHWXZCSNMDKSCY-UHFFFAOYSA-N	311.301	1.041	50	20	DDGD	
CC1(C)CN(C[C@@H](CBr)C2CC2)C[C@@H](CO)O1	859330785	JKGMNVQOMRQOMR-NEPJUHHUSA-N	306.244	1.879	50	20	DDGD	
O=C(CCl)N[C@H]1CCc2nnc(-c3ccccc3F)n2C1	1887514100	RNTOTCQPNGOCKU-VIFPVBQESA-N	308.744	1.754	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@H](C)Cn2cccn2)n1	50151013	SQFMXADZPPLKSJ-JTQLQIEISA-N	303.370	1.252	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@@H](C)C2CC2)o1	175273762	NKPJOJWZZAEWIQ-NSHDSACASA-N	307.394	1.929	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCSc1ccccc1	102361133	BAVITSIMMDISTF-UHFFFAOYSA-N	303.387	1.969	50	20	DDGD	
COCCCC(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	103523280	XGOBMPDFKYEPQW-UHFFFAOYSA-N	322.333	1.553	50	20	DDGD	
O=C(NNc1cnccn1)[C@@H]1CCCN(Cc2ccccc2)C1	114878282	YAKIJRTXGRBTNA-OAHLLOKOSA-N	311.389	1.832	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1cc(F)c(F)cc1F	115718359	ZMPNKSCKVIOVMG-UHFFFAOYSA-N	305.256	1.683	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1	22731442	UMXFONSFZOUORX-CRFVKXMPSA-N	309.410	1.434	50	20	DDGD	
CCc1nc([C@H](C)NC(=O)NNc2nccc(OC)n2)cs1	111895375	MRDULFHIYVZCRO-QMMMGPOBSA-N	322.394	1.891	50	20	DDGD	
CCOC(=O)NNC(=O)c1oc2ccccc2c1CN(C)C	118760349	HTCKKAQORUYTDI-UHFFFAOYSA-N	305.334	1.885	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)c1ccccc1O	63465289	JZMWACAYTZCRSX-UHFFFAOYSA-N	315.285	1.684	50	20	DDGD	
O=C(NNc1nccnc1Cl)[C@H]1CCCN(C(=O)C2CC2)C1	114894168	OVPMQTDUCIOOSX-JTQLQIEISA-N	323.784	1.222	50	20	DDGD	
CC[C@@H]1CN(C(=O)NNC(=O)c2ccc(C#N)cc2)C[C@@H](C)O1	111481886	VVTPGBWLFFSHRZ-BXUZGUMPSA-N	316.361	1.412	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC(F)(F)F)cc1[N+](=O)[O-]	60414873	SGPNJNSLQTZTFP-UHFFFAOYSA-N	320.227	1.410	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)c1ccccc1)c1ccc(F)cc1	117934155	IWCFYQLPKTWIAW-AWEZNQCLSA-N	302.305	1.974	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)C2(c3ccccc3)CC2)n1	25596082	SGUKGLIQVXGUDU-UHFFFAOYSA-N	312.373	1.379	50	20	DDGD	
Cc1cccc(CCC(=O)NNC(=O)NCC(F)(F)F)c1	60415056	XQFRGTWOPVHECT-UHFFFAOYSA-N	303.284	1.820	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2C[C@]23CCc2ccccc23)[nH]n1	178370139	ZPCZPCLOCLLORL-DYVFJYSZSA-N	310.357	1.383	50	20	DDGD	
CCC(CC)CNC(=O)NNC(=O)COCc1ccccc1	125880394	BGXTUHVUSFBNFK-UHFFFAOYSA-N	307.394	1.970	50	20	DDGD	
C=CCNc1ncc(C(=O)NNc2nc(C)cc(OC)n2)s1	129519116	OUWKTXGOJYMKRO-UHFFFAOYSA-N	320.378	1.605	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NC2CC=CC2)cc1	127728180	REGAMUUMQPHUEK-UHFFFAOYSA-N	303.362	1.677	50	20	DDGD	
N#C/C=C(\c1ccccc1)N1CCC[C@@H](CNS(N)(=O)=O)C1	79319686	JIPDVUJDPFURIT-LIOBOASVSA-N	320.418	1.056	50	20	DDGD	
O=C(NNC(=O)c1cnn(-c2ccccc2)c1)NC1CC=CC1	121087075	DYUNGADAHYQFHD-UHFFFAOYSA-N	311.345	1.535	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)n(C)n1	125990734	BOULJUMTHRARHP-JTQLQIEISA-N	320.324	1.096	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)Cc2cccnc2)cc1	186392851	FSOGAVHSDCBNLF-UHFFFAOYSA-N	313.361	1.543	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@H]1CC(=O)N(Cc2ccco2)C1	182535451	NXURTJHIXJXXTF-JTQLQIEISA-N	318.308	1.306	50	20	DDGD	
COc1cc(F)ccc1NC(=O)C(=O)NNc1ccccc1	185215020	GQEISDOHOQURPC-UHFFFAOYSA-N	303.293	1.916	50	20	DDGD	
COC[C@@H](C)CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	194614554	AUDAKVXJHNECTB-MUKINBEESA-N	300.362	1.511	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnc2c(cnn2CC(C)C)c1	131915026	USZRZTNUNFPPNE-UHFFFAOYSA-N	304.354	1.051	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1csnn1	193979855	ZGUHPMMXWSZZRT-UHFFFAOYSA-N	317.157	1.920	50	20	DDGD	
CCCCCOc1ccc(C(=O)NNC(=O)C(C)(C)O)cc1	192930960	RDWHLQXRQKCGQA-UHFFFAOYSA-N	308.378	1.788	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNC(=O)c2ccc(C)o2)ccc1C	84291201	UWVXRDZSVHNVGV-UHFFFAOYSA-N	315.329	1.930	50	20	DDGD	
Cc1nn(C)c(C)c1CCC(=O)NNC(=O)NC1CCCCC1	194515683	UQPZLRWHCIBBIZ-UHFFFAOYSA-N	321.425	1.633	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1ccncc1Cl)C1CCCC1	135892325	GTYDMUCNVMTWIR-ZDUSSCGKSA-N	310.785	1.873	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@@H](c1ccco1)N1CCCC1	40809626	VTHUYOKCRJEYLR-LBPRGKRZSA-N	320.842	1.965	50	20	DDGD	
CN(CC(=O)NNC(=O)NC1CCCCC1)Cc1ccccc1	194930934	JZDNELCFTMSJGO-UHFFFAOYSA-N	318.421	1.782	50	20	DDGD	
CCOc1ccc(CCC(=O)NNC(=O)c2ccncc2)cc1	194041173	SRDVWUZPHPPEGC-UHFFFAOYSA-N	313.357	1.874	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc(Cl)nc2C)n1	194710572	JDPKPOGVJVDYMK-UHFFFAOYSA-N	308.729	1.991	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@H]1CC1(Cl)Cl	91821901	XWKAQWNCIHZVCV-RXMQYKEDSA-N	302.252	1.039	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccccc1CC(=O)OC(C)(C)C	266786577	XVABHFFUJRAALJ-UHFFFAOYSA-N	323.349	1.963	50	20	DDGD	
CCc1ccc(OCC(=O)NNC(=O)[C@H]2CCCCO2)cc1	269352101	KSYNIQCZPKAFFO-CQSZACIVSA-N	306.362	1.344	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)N[C@H]2CCCSC2)c1	267381017	VJXREGBWYQWOTH-LBPRGKRZSA-N	322.434	1.592	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)C[C@H]1CCCCO1	267977900	FDMAOQWGDXBKQA-LLVKDONJSA-N	323.418	1.972	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1cccc(-n2cncn2)c1	265364184	BGZKSJIQWZMSRC-UHFFFAOYSA-N	316.365	1.144	50	20	DDGD	
Cc1c(NNC(=O)[C@@H](C)CS(C)(=O)=O)cccc1[N+](=O)[O-]	269633858	XSQMJXGLWPKFLT-QMMMGPOBSA-N	315.351	1.027	50	20	DDGD	
CN(C)C(=O)c1ccc(NC(=O)NNC(=O)CC2CC2)cc1	273427062	OBKODVHGASIVDY-UHFFFAOYSA-N	304.350	1.341	50	20	DDGD	
Cc1sc(CC(=O)NNC(=O)c2ccc[nH]2)nc1C(C)C	278969873	NJPXKQQZOJWDAH-UHFFFAOYSA-N	306.391	1.907	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@H]2CC[C@@H](O)C2)cc(C#N)n1C	276905423	QIFLWVDCDADASM-PGWKWFMFSA-N	312.373	1.389	50	20	DDGD	
CN(NC(=O)c1cn(CC2(C)COC2)nn1)c1ccccc1	274261429	VJXVFIDBICPFCZ-UHFFFAOYSA-N	301.350	1.096	50	20	DDGD	
C=C(C)[C@H](CC(=O)NNC(=O)CCc1ccccc1O)OCC	270465792	RFNWRMAILGULJP-HNNXBMFYSA-N	320.389	1.844	50	20	DDGD	
O=C(NC[C@@H]1CCC2(CCCCC2)O1)NNc1cccnn1	277286856	QNPBIGLEJRYDNY-LBPRGKRZSA-N	305.382	1.985	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cnn(CC(C)C)c2)n1	279804141	MTTLMZPJTHKBCD-UHFFFAOYSA-N	301.350	1.317	50	20	DDGD	
C[C@H]1COCC[C@H]1CNC(=O)NNc1cccc([N+](=O)[O-])c1	287843072	LJXMXHXNWUFUNU-QWRGUYRKSA-N	308.338	1.894	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cc3c(cn2)OCCC3)cc1	373316094	GTUOVTIMNSDOBF-UHFFFAOYSA-N	322.324	1.353	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cc(Cl)ccc1F	283817367	JMPSGRJKEINXCJ-ZETCQYMHSA-N	308.762	1.835	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(N2CCCCCC2)nc1	288323730	DLOYZGDCRQPAOL-UHFFFAOYSA-N	306.410	1.685	50	20	DDGD	
CSSCCNC(=O)c1ccnc(O[C@@H]2CCOC2)c1	284001668	IJKDAMHHZOBBIA-LLVKDONJSA-N	314.432	1.990	50	20	DDGD	
CC(C)(C(=O)NNc1ncnc2ccsc12)N1CCOCC1	283267027	RJOCETOIEIDORG-UHFFFAOYSA-N	321.406	1.245	50	20	DDGD	
CCOC(=O)CC(C)(C)CC(=O)NNc1nccnc1Cl	287348311	FTOXNQJXBACMQU-UHFFFAOYSA-N	314.773	1.943	50	20	DDGD	
COCc1ccc(OC)c(S(=O)(=O)N2CC=C(C#N)CC2)c1	286431440	MYQPTBYPOCJMMN-UHFFFAOYSA-N	322.386	1.686	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(OCc2ccccc2)nc1	288611711	UTPADTBFQQSXOI-UHFFFAOYSA-N	315.373	1.884	50	20	DDGD	
CC(=O)NNC(=O)C1(Cc2ccccc2Br)CC1	292397379	WTJMGMBOHYMGES-UHFFFAOYSA-N	311.179	1.939	50	20	DDGD	
COCCc1ccnc(NC(=O)NNc2ncncc2Cl)c1	806657819	GLSWHHLMNVKZKM-UHFFFAOYSA-N	322.756	1.863	50	20	DDGD	
Cc1c(C(F)(F)F)nn(C)c1NC(=O)NNC(=O)C(C)C	806423413	RBRIRZKBNZDDDB-UHFFFAOYSA-N	307.276	1.556	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)N[C@@H]2CCC2(C)C)c1	806022321	VCAJLMDYPKDLLT-CYBMUJFWSA-N	321.377	1.836	50	20	DDGD	
COCCN(C)NC(=O)C1(Cc2ccc(F)cc2)CCOCC1	297022858	IGWYHEHKPTWPGL-UHFFFAOYSA-N	324.396	1.774	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cnc2c(F)cccc2c1	292115332	DQPMDQPMTBRROT-UHFFFAOYSA-N	320.324	1.354	50	20	DDGD	
O=C(NNc1nnc[nH]1)c1ccc(OC[C@H]2CCCO2)cc1	294054848	XIHOGUGQGIWSCG-GFCCVEGCSA-N	303.322	1.119	50	20	DDGD	
C=CCOc1cccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)c1	296344280	FTYGYUPOHRZECF-AWEZNQCLSA-N	319.361	1.973	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2ncccc2F)c1F	807300586	GKKABVLZFPZLED-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1c(F)ccc(O)c1F	809706416	XWXOCQZDOYCHLW-UHFFFAOYSA-N	307.256	1.069	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNc3ncncc3F)(CC1)CC2	293940965	IIWOVGFZYAIFNZ-UHFFFAOYSA-N	322.340	1.572	50	20	DDGD	
O=C(/C=C/c1ccc(Cl)nc1)NNC(=O)[C@@H]1CCCCO1	295574393	BNJDYJLHWPHJTN-ZRQQLDRUSA-N	309.753	1.465	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNc2cc(Cl)nc(N)n2)o1	293549879	SXOLPNCKMFUAHS-UHFFFAOYSA-N	310.745	1.718	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)c1ccc(OC)cc1	293804556	DCKNPUZUAGAOLL-CQDKDKBSSA-N	320.389	1.904	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)[C@@H]1OC[C@H]2COCC[C@@H]21	290376296	QLFJHTIYRJUVJM-BZTNIEFMSA-N	316.279	1.599	50	20	DDGD	
O=C(NNc1ncccc1F)C(=O)Nc1cc(F)ccc1F	807300588	GLJUYYSBSIRYBR-UHFFFAOYSA-N	310.235	1.581	50	20	DDGD	
CC(C)N(C)C[C@@H](C)NC(=O)NNC(=O)CCc1ccccc1	811953949	LWDZQOGFOPNDBC-CQSZACIVSA-N	320.437	1.678	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(CC(=O)OC)c(F)c1	817708495	YWMVRQPPUZLGET-PKNBQFBNSA-N	306.293	1.924	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)COc2cccc(C)c2)on1	814717049	ZJAAQJOVIYRRNY-UHFFFAOYSA-N	317.301	1.299	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1	819122792	HPJJQNWXOLQTJP-UHFFFAOYSA-N	311.341	1.807	50	20	DDGD	
CCn1c(=O)n(CC(=O)NCCCSC#N)c2ccccc21	816538265	KVRPWYBQMLUWKS-UHFFFAOYSA-N	318.402	1.543	50	20	DDGD	
CCn1ccnc1C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	813451219	JYEDQPGFSRBPTQ-UHFFFAOYSA-N	324.344	1.164	50	20	DDGD	
CC(=NNC(=O)Cc1nc2ccccc2n1C)c1ccc(N)nc1	814737789	KGXSLLUIEROCJF-UHFFFAOYSA-N	322.372	1.633	50	20	DDGD	
COc1ccc(NC(=O)NN=C(C)C[C@H]2CCC(=O)N2)cc1	814997322	JHZHZSYWBHTSOC-GFCCVEGCSA-N	304.350	1.861	50	20	DDGD	
CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NNC(=O)CC1CC1	819135772	DIMWSDSBROICPR-RISCZKNCSA-N	324.425	1.154	50	20	DDGD	
COc1ccc(NNC(=O)[C@@](C)(OC)C2CC2)c([N+](=O)[O-])c1	812535477	XEQLJJOYMCRKJU-AWEZNQCLSA-N	309.322	1.862	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)C2CCCC2)[C@H]1[C@H]1CCCO1	811909917	OFTVRQKVPDLNHV-OLZOCXBDSA-N	309.410	1.807	50	20	DDGD	
O=C(CCCC[C@H]1CCSS1)NC[C@@H]1CNCCO1	818008087	PBCSZJYRPYRNPZ-RYUDHWBXSA-N	304.481	1.805	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)CC1CC(F)(F)C1	823518016	JADFTLQKPPAWKP-UHFFFAOYSA-N	316.279	1.787	50	20	DDGD	
CCCCNC(=O)NNC(=O)/C=C/c1ccc(O)c(OCC)c1	492521871	NLQMCDABOIEKPN-VQHVLOKHSA-N	321.377	1.935	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](C(=O)NNC(=S)N[C@@H](C)C2CC2)CCO1	824445927	DEHSSXKYPQRTCH-DRZSPHRISA-N	313.467	1.731	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccn(CC(F)(F)F)c1=O	494552770	AUJRYORTCFOFBL-UHFFFAOYSA-N	322.243	1.193	50	20	DDGD	
Cn1nc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1C1CC1	826365945	LLASQJJIKXKMMK-UHFFFAOYSA-N	324.348	1.235	50	20	DDGD	
Cc1cccc(CN(C)C(=O)NNC(=O)Cc2cccnc2)c1	728957630	ZGGCYHFBPZRTAB-UHFFFAOYSA-N	312.373	1.805	50	20	DDGD	
COC(=O)N(C)NC(=O)c1[nH]c(-c2cccc(OC)c2)nc1C	495822304	FPNWECIUPCSPNM-UHFFFAOYSA-N	318.333	1.737	50	20	DDGD	
O=C(C[C@@H]1CC(=O)N1)NNC(=O)c1c(Cl)cccc1Cl	825768484	OGSXKSAZNDLJFK-LURJTMIESA-N	316.144	1.033	50	20	DDGD	
CCc1ccc(C(C)=NNC(=O)[C@@H](C)NS(C)(=O)=O)s1	728434981	SCGAUKSPQVJGID-SECBINFHSA-N	317.436	1.088	50	20	DDGD	
COC(=O)Nc1ccc(C(=O)NNC(=O)CC2CC2)c(C)c1	820757325	FTFBVDGQNUBPIK-UHFFFAOYSA-N	305.334	1.734	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1Cc2ccccc21	826446431	LMHISDSJCJJSSW-CQSZACIVSA-N	306.329	1.650	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)C(F)(F)F	824040096	LIMAYNVZSRMEJH-LURJTMIESA-N	300.244	1.508	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@@H]2CCN2C2CCCC2)n1	821832693	IMZHXLDTNNYIMU-VIFPVBQESA-N	310.789	1.172	50	20	DDGD	
CCOc1ccccc1[C@H](CC)NCC(=O)NNC(=O)C(C)C	828656172	QOOJUXVMHNFZEF-AWEZNQCLSA-N	321.421	1.929	50	20	DDGD	
COc1cccc(C[C@H](O)C(=O)NNC(=O)OC(C)(C)C)c1	492432832	HLVXJCGYSKVOFR-LBPRGKRZSA-N	310.350	1.155	50	20	DDGD	
O=C(CCc1cccnc1)NNC(=O)COCc1ccccc1	725896645	NECZYXPHUKUIKR-UHFFFAOYSA-N	313.357	1.378	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)C1(NC(=O)OC(C)(C)C)CCCC1	823959175	COPQTDLVOKDASA-NSHDSACASA-N	315.414	1.168	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1ccccc1OC(F)F	490989836	JYBPCUAZGHPWBW-UHFFFAOYSA-N	310.278	1.227	50	20	DDGD	
OB(O)c1cccc(CNC[C@H]2[C@H]3c4ccccc4CC[C@H]32)c1	585027978	CFIABXYKVCYIHQ-OTWHNJEPSA-N	307.202	1.432	50	20	DDGD	
CC(C)C[C@@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1	584958175	MDNWDTZUXSWLMY-LBPRGKRZSA-N	307.174	1.404	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNC(=O)NC1CCCC1	497124954	FSEAWFUUIMVLIO-ONGXEEELSA-N	314.386	1.030	50	20	DDGD	
OB(O)c1ccccc1CNC[C@H]1CCCN(c2ccccc2)C1	585039502	WBPJYWPZZANFNM-MRXNPFEDSA-N	324.233	1.373	50	20	DDGD	
C[C@@H](C[C@@H]1CCCO1)c1nc(-c2cccc(B(O)O)c2)no1	585052641	SQXAJJUIQLDPAA-GWCFXTLKSA-N	302.139	1.089	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCCOC2CCCCC2)cn1	491176379	PFGWQFISBBRWFP-ZROIWOOFSA-N	302.378	1.793	50	20	DDGD	
CN(NC(=O)C[C@H]1COCCN1C(=O)OC(C)(C)C)C1CC1	496415589	GPJOCWCRBYNBQP-LBPRGKRZSA-N	313.398	1.138	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)CCc1ccc(C(=O)O)cc1	736427974	ISXMYYBGDGCYHV-UHFFFAOYSA-N	306.362	1.901	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)CC(F)(F)F	826969339	ZRFZHKPNRONSES-XHNCKOQMSA-N	311.304	1.330	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H]1CCS[C@@H]1C	825973298	BGHMOGAUCPCNNF-KOLCDFICSA-N	309.391	1.533	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)OCCc2ccccc2)ncn1	825854144	HGGXLPNFFUWMCP-ZDUSSCGKSA-N	300.362	1.876	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NC[C@]2(C)CCOC2)c1	733336063	IVJPMOVQWMEZQK-INIZCTEOSA-N	321.377	1.131	50	20	DDGD	
O=C(NNC(=O)C1(C(F)(F)F)CCCCC1)N1CCOCC1	824621545	RMSXYIPNJJHJPC-UHFFFAOYSA-N	323.315	1.572	50	20	DDGD	
CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1cccc(B(O)O)c1	584980207	TWAWKTKHSGBRJI-LLVKDONJSA-N	315.100	1.169	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCOc1ccccc1C(C)C	732476333	FOKYFRNMJIJIKA-UHFFFAOYSA-N	323.393	1.556	50	20	DDGD	
COCC1(CNC(=O)/C(C#N)=C\c2cnn(C)c2)CCCC1	491100408	ARPSESZEGRJSBB-AUWJEWJLSA-N	302.378	1.650	50	20	DDGD	
OB(O)[C@H]1CCN(Cc2cnc(-c3ccccc3F)s2)C1	585078898	PBLNZJPODMOYOO-JTQLQIEISA-N	306.171	1.998	50	20	DDGD	
CCOCCCN1CC[C@H](NS(=O)(=O)CCl)[C@@H](C)C1	830534901	IPJAXEHASFVFAV-RYUDHWBXSA-N	312.863	1.239	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)CCCS(C)(=O)=O	836933900	LCJQCGAHAXAULZ-UHFFFAOYSA-N	304.799	1.916	50	20	DDGD	
Cc1nc(C)n(C2CN(C(=O)[C@@]3(C)C[C@@H]3Br)C2)n1	907991425	GPBKWRONYIJXSB-JQWIXIFHSA-N	313.199	1.452	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNc2cccc(F)c2[N+](=O)[O-])CC1=O	839749975	XEUFNVSPFNZTIT-VIFPVBQESA-N	324.312	1.436	50	20	DDGD	
CCc1nc(CNC(=O)NNC(=O)Cc2ccccc2C)co1	838694780	UUBHOFANEMFUHB-UHFFFAOYSA-N	316.361	1.619	50	20	DDGD	
CC(CS(=O)(=O)c1ccc(C)cc1)=NNC(=O)NC(C)C	734296447	SNUJOWLDSSDHPV-UHFFFAOYSA-N	311.407	1.852	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H]2CCCCN2C)cc1	731866959	LTSGAJYVGBXQBE-CQSZACIVSA-N	304.394	1.039	50	20	DDGD	
CC(C)C(=O)NCCCNC(=O)[C@]1(C)C[C@@H]1Br	907133823	NIRYXKSZGOAGOQ-JOYOIKCWSA-N	305.216	1.438	50	20	DDGD	
CC[C@H](NCc1ccc(B(O)O)cc1F)c1ccccc1F	585045921	OJTNHYAXOWOUJW-INIZCTEOSA-N	305.133	1.886	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@H]1C[C@]12CCCc1ccccc12	584911159	IGYIOWNAQFOPJS-MJGOQNOKSA-N	321.185	1.599	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCc1nc2ccccc2o1	732084129	NGYIPYQPSREZBA-UHFFFAOYSA-N	313.317	1.253	50	20	DDGD	
O=C(NC[C@H]1CCCC[C@@H]1C1CC1)c1ccc(B(O)O)cc1	584997716	IEANFVCTRRJCOC-GDBMZVCRSA-N	301.195	1.313	50	20	DDGD	
CON=Cc1ccc(C(=O)NNc2cc(Cl)[nH]c(=N)n2)cc1	588506709	RFEFBXXENGABGU-UHFFFAOYSA-N	320.740	1.280	50	20	DDGD	
Cc1cc(NNC(=O)c2cccc(C[S@](C)=O)c2)ncn1	734254415	IWMRQSVMYYKYQY-NRFANRHFSA-N	304.375	1.420	50	20	DDGD	
CCc1ccc(OCC(=O)NNC(=O)C2CCOCC2)cc1	917511823	NFHIPVDGFKKYOU-UHFFFAOYSA-N	306.362	1.202	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)Cc1ccccc1F)C1CC1	836488589	MDBVNVXYWIPCCV-CYBMUJFWSA-N	309.341	1.124	50	20	DDGD	
CN1C(=O)C(=NNC(=O)NC2CCCCC2)c2ccccc21	916299725	TYRLXVAUURAPDM-UHFFFAOYSA-N	300.362	1.999	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC[C@H]2CCCN2C)c(F)c1	837871774	DYLPWQAKLHEPTF-LLVKDONJSA-N	324.356	1.333	50	20	DDGD	
O=C(CC(F)(F)F)NN=Cc1cnc(N2CCCC2)nc1	917550237	CFWKNHYSQCXFIK-UHFFFAOYSA-N	301.272	1.479	50	20	DDGD	
CC(C)c1noc(CCC(=O)NNc2ccnc(N(C)C)n2)n1	740105141	YTJBCUOSDQQYHO-UHFFFAOYSA-N	319.369	1.125	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)C1CCC(OC[C@@H]2CCCO2)CC1	910145567	VLQBMFSLWXTPCM-URGYJCLVSA-N	314.426	1.085	50	20	DDGD	
COCc1cccc(C=NNC(=O)[C@H](C)CN2CCOCC2)c1	743431037	PGPDECJUIBJECT-CQSZACIVSA-N	319.405	1.251	50	20	DDGD	
Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNc1ccnc(N(C)C)n1	740103377	PIVGUCRVNYOHIM-SECBINFHSA-N	317.397	1.140	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCCC[C@H]2F)c1	840441973	UUCIEBVNQHCPLG-CHWSQXEVSA-N	304.325	1.783	50	20	DDGD	
COc1cccc([C@H](C)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	843643889	AYNSYPFVOUZOCQ-WDMOLILDSA-N	306.362	1.371	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCC[C@]1(O)CCCOC1	846596904	OOEHTUWWZLGLHR-GXFFZTMASA-N	322.243	1.844	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H]1CCO[C@H](c2ccccc2)O1	847687719	UUVQFRVNRVXHMU-OCCSQVGLSA-N	307.350	1.183	50	20	DDGD	
C[C@@H]1CC(C)(C)CCC1=NNC(=O)N[C@H]1CCS(=O)(=O)C1	748249064	QCKYGCYABBZVGG-MNOVXSKESA-N	315.439	1.675	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2cccc(S(C)(=O)=O)c2)CCN1C	741459498	BTYTVJLYNXPCCQ-NSHDSACASA-N	323.418	1.290	50	20	DDGD	
CC[C@H](C(=O)NN=c1cc[nH]c2ccccc12)N1CCCC1=O	743339928	UFRDEXFXWJNYSH-OAHLLOKOSA-N	312.373	1.501	50	20	DDGD	
Cn1ncc2c1CCCC2=NNC(=O)c1cccc([N+](=O)[O-])c1	915933083	LDUNKGHIGKSMGT-UHFFFAOYSA-N	313.317	1.799	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)N[C@H]1CCN(CC(F)F)C1	842197186	RVXGMMPGUKPEAN-VIFPVBQESA-N	319.743	1.701	50	20	DDGD	
O=C(NC[C@H]1CCCCN1)NNc1cc(F)c(F)cc1F	841922917	VFYBFJVUXIHNPH-MRVPVSSYSA-N	302.300	1.872	50	20	DDGD	
CCNCCNC(=O)NNC(=O)c1cccc2ccccc12	841935129	PWHYGCAWHJDGBX-UHFFFAOYSA-N	300.362	1.393	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(C#N)c(Cl)c1	843654392	FSZFTBITOBFDLX-KCJUWKMLSA-N	307.737	1.398	50	20	DDGD	
O=C1Nc2cc(OC(F)(F)F)ccc2C1=NNC(=O)C1CC1	915048908	MXIQYQRDNVINMK-UHFFFAOYSA-N	313.235	1.768	50	20	DDGD	
CCn1nncc1C=NNC(=O)CNc1ccc(C)cc1C	841610742	LYLCFHJQQNLUIS-UHFFFAOYSA-N	300.366	1.477	50	20	DDGD	
O=C(NNc1ccccc1Br)[C@@]1(O)CCOC1	840402564	YYRYLOBTLSRYFF-LLVKDONJSA-N	301.140	1.044	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2cc(F)c(F)c(F)c2)CCN1	841989228	ZDDLPSDHIWYCHR-HTQZYQBOSA-N	302.300	1.871	50	20	DDGD	
CN(C)c1cccnc1C(=O)NNC(=S)NCC1CCC1	912108570	AYPPJIVYETYVFU-UHFFFAOYSA-N	307.423	1.057	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@H]2CCO[C@H]2C)cc1[N+](=O)[O-]	842558339	SHOOPDFTVDPGQH-ONGXEEELSA-N	307.306	1.479	50	20	DDGD	
CCn1ncnc1C=NNC(=O)CNc1ccc(C)cc1C	848401700	GHTSVLXXEVPNQE-UHFFFAOYSA-N	300.366	1.477	50	20	DDGD	
Cc1cccc2c(CC(=O)NNc3nccn(C)c3=O)c[nH]c12	747938354	SOEVTZQWYFPZPY-UHFFFAOYSA-N	311.345	1.256	50	20	DDGD	
CC(C)NC(=O)NN=Cc1cc(Cl)cc([N+](=O)[O-])c1O	745013419	YQERKKJRSWYXHU-UHFFFAOYSA-N	300.702	1.995	50	20	DDGD	
Cn1ncc2c1CCCC2=NNC(=O)Cn1cnc2ccccc21	915943739	KSHNLASLPZXFHQ-UHFFFAOYSA-N	322.372	1.627	50	20	DDGD	
CCc1ccc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)s1	849193368	NKMDSCCHLACHHO-SNVBAGLBSA-N	316.448	1.416	50	20	DDGD	
COc1ccc(CC(C)=NNC(=O)Cn2nc(C)cc2C)cn1	841611119	ODYSQWVIPADGET-UHFFFAOYSA-N	315.377	1.638	50	20	DDGD	
CCN1CCC(CNC(=O)NNc2nc(C)cc(OC)n2)CC1	746762982	YSUROSIPJKJJJP-UHFFFAOYSA-N	322.413	1.152	50	20	DDGD	
CCc1[nH]nc(C(=O)NNc2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-]	749259776	GNAFYJVBJDPNPX-UHFFFAOYSA-N	320.265	1.545	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1Cl)N[C@@H]1COC(=O)C1	923726910	ZBVMAXUCSIAZMU-ZETCQYMHSA-N	304.133	1.935	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CNc1ccccc1Cl	843972646	HIGRAGJAGDYPAY-VHSXEESVSA-N	311.769	1.324	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)N[C@H](CN)C2CC2)cc1	841946321	JKIOCTGYJIRBKL-CYBMUJFWSA-N	322.434	1.155	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1nc2c(s1)CCC2	920939711	UKCBVGOCYDUGKB-UHFFFAOYSA-N	308.285	1.737	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2C[C@H](C)[C@H](C)[C@@H]2C)cc1	842167151	RJNGTQKIDZVMNB-IHRRRGAJSA-N	303.406	1.732	50	20	DDGD	
COCC(COC)NC(=O)NNc1c(F)cc(F)cc1F	922729604	KAATWOBHWNOHJN-UHFFFAOYSA-N	307.272	1.391	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cc(O)ccc1[N+](=O)[O-]	751131638	XJOOYMZTBZQPFP-UHFFFAOYSA-N	321.318	1.411	50	20	DDGD	
C=CCOc1cccnc1C(=O)NNC(=S)N[C@@H](C)C1CC1	855098352	GKILYIUEAXXEGL-JTQLQIEISA-N	320.418	1.554	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H]2CCN2C)c1C	925435725	UKBGCGACRSRVLK-LLVKDONJSA-N	306.366	1.112	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCCCN1CCOCC1	754549566	LABUFQBWOOFZPM-QINSGFPZSA-N	316.357	1.565	50	20	DDGD	
CC(C)COC(=O)N1CCC(=NNC(=O)c2cc[nH]n2)CC1	853391659	VUTUVYVSTUCHFS-UHFFFAOYSA-N	307.354	1.384	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C=NNC(=O)c2cc[nH]n2)C1	853392799	VNMVLFIJYJCIGZ-BONVTDFDSA-N	319.365	1.382	50	20	DDGD	
CCOc1ccc(OC)cc1NC(=O)NNC(=O)c1ccc[nH]1	756433418	YZBKUVPZGYEPIS-UHFFFAOYSA-N	318.333	1.889	50	20	DDGD	
CCn1cc(CNC(=O)NC[C@]2(C)C[C@H]2Br)nn1	856869918	OLNFGCBTMGJUQT-KOLCDFICSA-N	316.203	1.271	50	20	DDGD	
O=C(NNC(=O)C(F)(F)C1(O)CCCC1)OCC(F)(F)F	856020687	PPULTFOLFQOMCO-UHFFFAOYSA-N	320.214	1.247	50	20	DDGD	
CCOc1ccc(C=NNC(=O)N2CCN(C)CC2)c(C)c1	853337054	CBFITMHJKNJRTM-UHFFFAOYSA-N	304.394	1.685	50	20	DDGD	
C[C@H]1C[C@H](c2ccccc2)CN1C(=O)NNC(=O)c1cn[nH]c1	858703982	BSQIMKMNBZNCIU-AAEUAGOBSA-N	313.361	1.642	50	20	DDGD	
CS(=O)(=O)CCCCNC(=O)NNc1ccc(Cl)cn1	852387976	PYCDKYLFOSWSAB-UHFFFAOYSA-N	320.802	1.186	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)c1cn(C2CCOCC2)nn1	855370001	JTXZOPWOEWLKMQ-UHFFFAOYSA-N	319.340	1.834	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1	854163437	VDSYPAZORYFHES-SNVBAGLBSA-N	323.324	1.346	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@H]1OCCc2ccccc21	750537466	LDPIVSXNAMXSNJ-NSHDSACASA-N	302.252	1.400	50	20	DDGD	
CC(=O)N1CCC(=NNC(=O)c2cc[nH]n2)c2ccccc2C1	853392162	JSXZINLKAJRIFB-UHFFFAOYSA-N	311.345	1.296	50	20	DDGD	
Nc1ccc(C(=O)NN=Cc2cn(-c3ccccc3)nn2)cc1	755471458	JKHAUSHQMSGTGY-UHFFFAOYSA-N	306.329	1.613	50	20	DDGD	
O=C(NNc1ccncn1)c1ccc(OCC(F)(F)F)cn1	857521246	DXQUFTMXTHZFPF-UHFFFAOYSA-N	313.239	1.570	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)CCSc2ccccc2)CC1	854378843	DYTXMQWCZIPKAT-UHFFFAOYSA-N	322.434	1.157	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCc1cccc(OC(F)F)c1	854927878	SJRQCDYVACVYKF-UHFFFAOYSA-N	317.361	1.688	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)[C@H]1CCCCS1(=O)=O	855465901	XWKBNUCMRQIXKC-SECBINFHSA-N	303.771	1.145	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNC(=O)c2ccc[nH]2)ccc1C	756843349	CQZMJQDHNHTNQB-UHFFFAOYSA-N	316.317	1.576	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@](C)(C1CC1)C(F)(F)F	933568585	DBRQXQHOGOCSFX-LPBBDHJYSA-N	323.315	1.473	50	20	DDGD	
COc1ccc(C[C@H](C)C=NNC(=O)[C@@H]2CCC(=O)N2)cc1F	863147911	OYNWJSPTIADAEW-GWCFXTLKSA-N	321.352	1.394	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NN[C@@H](C)C(F)(F)F)ccc1F	862309246	NYUACTDWFBVQFD-LURJTMIESA-N	307.247	1.969	50	20	DDGD	
COc1cc(Br)cc(NC(=O)NNC(C)=O)c1	765231842	XVDDGVDHKFVEQK-UHFFFAOYSA-N	302.128	1.630	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cnc([C@@H]2CCCO2)s1	760377357	VILAVFIHZPOWKV-LURJTMIESA-N	323.296	1.708	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)/C=C/COC)cc1OC	864510745	DFJIUNBMSBXSFC-AATRIKPKSA-N	322.361	1.448	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2CCO[C@@H](C(C)(C)C)C2)n1	764517497	XQGOOLNRRYRSQR-WDEREUQCSA-N	323.397	1.705	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1cc(O)c2ccsc2c1	869906230	IWENRDCOYQGYGU-UHFFFAOYSA-N	324.358	1.031	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1c[nH]c2nccc-2c1	863102010	QUMAALBFCNUIQR-UHFFFAOYSA-N	308.210	1.947	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NN(C)C(=S)NC	861961637	YRBXAEYMYLYDDF-VIFPVBQESA-N	318.443	1.099	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cnc3nccnc3c2)c1	760033322	RVMYKVXDFZAALX-UHFFFAOYSA-N	323.312	1.568	50	20	DDGD	
CCC(=O)c1ccc(C(=O)NNc2nccnc2OC)cc1	764470016	CYJXSBLMCYXNHH-UHFFFAOYSA-N	300.318	1.835	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C[C@H]2COC(=O)C2)c(C)c1	765385463	PKZDYTNPZDPXGB-LLVKDONJSA-N	321.402	1.574	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@](C)(O)C1CCC1	873770276	FWAGFFLEFZKPND-HNNXBMFYSA-N	323.418	1.564	50	20	DDGD	
O=C(NNc1ccc(F)cn1)c1ccc(N2CCOCC2)nc1	874651519	PTBGZJLVUCLNGR-UHFFFAOYSA-N	317.324	1.209	50	20	DDGD	
CC[C@@H](C(=O)NNC(=S)Nc1ccc(C)c(C)c1)N(C)C	873763387	AVOFQCWZVYRLKI-ZDUSSCGKSA-N	308.451	1.961	50	20	DDGD	
CC(C)CNC(=O)CNC(=O)[C@@H](Br)C(C)(C)C	1116635827	MLNBVODNWFANLD-SNVBAGLBSA-N	307.232	1.684	50	20	DDGD	
C[C@@H]1CCc2nc(NC(=O)NNC(=O)c3cc[nH]n3)sc2C1	1118600781	PGBLACYKHXZKCS-SSDOTTSWSA-N	320.378	1.458	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)N[C@@H]1CC12CCC2	876425388	BAODCKCZEHVLCQ-GXFFZTMASA-N	321.352	1.866	50	20	DDGD	
CCOc1cccc(F)c1C=NNC(=O)C(=O)N1CCCC1	872347531	QENDUGIYBAKJRJ-UHFFFAOYSA-N	307.325	1.297	50	20	DDGD	
COCCOCC(=O)NN=C[C@@](C)(CN(C)C)c1ccccc1	872399584	FNRQZEOLCOAQHO-KRWDZBQOSA-N	321.421	1.271	50	20	DDGD	
CC(=O)NCCCCCC(=O)NNc1nccnc1C(C)C	772861187	RZZMDYAXELJWDG-UHFFFAOYSA-N	307.398	1.740	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NNc1cc(Cl)ccn1	778719763	UHSOWRQOOWBZJA-NXEZZACHSA-N	311.773	1.276	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(N)c1	771887931	BJABXQHTWNXDNT-SSDOTTSWSA-N	313.741	1.025	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)OCC(=O)NNC(=O)c2cccs2)C1	776424606	PFPNJVWQCAFGPI-ZJUUUORDSA-N	310.375	1.489	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)[C@@H](O)c1cccnc1	771542341	WUDKTLYFIZYKHP-NSHDSACASA-N	323.150	1.416	50	20	DDGD	
Cc1cnn(-c2c(C(=O)NNc3ccccn3)c(C)nn2C)c1	779054230	WEIJCZCFDROBBK-UHFFFAOYSA-N	311.349	1.375	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)NCCOCC(=O)O	874408413	HOYOSKHAJAPFOH-UHFFFAOYSA-N	301.730	1.376	50	20	DDGD	
Nc1cnnc(NNC(=O)Nn2cnc3ccccc32)c1Cl	1116294255	DSCLKGHIIQHPPJ-UHFFFAOYSA-N	318.728	1.342	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cccc(Br)c1	779815992	FKQNQBPYRNRNEH-UHFFFAOYSA-N	314.139	1.255	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1cnn(-c2ccccn2)c1	770036191	JDAOOJDILOTDQP-UHFFFAOYSA-N	302.338	1.466	50	20	DDGD	
C[C@@H](O)c1ncc(C=NNC(=O)COCc2ccccc2)s1	773055607	ZLEZUSHWBLFQQL-LLVKDONJSA-N	319.386	1.863	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1CCO[C@H](C)C1	776340270	YGYJOKJYBGTGNZ-ZYHUDNBSSA-N	316.361	1.219	50	20	DDGD	
CC[C@H](CO)C(=O)NNC(=O)c1cc(-c2ccc(C)cc2)[nH]n1	779737504	QJRONODIIGYAEM-LLVKDONJSA-N	316.361	1.165	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)Cc2cc[nH]n2)c(Cl)n1	1123338272	QCCWOGJRUYWKKK-UHFFFAOYSA-N	308.729	1.162	50	20	DDGD	
COC(=O)C1(O)CCN(C(=O)c2cccc(CCl)c2)CC1	1120714818	QDYGGPFBHPZSFF-UHFFFAOYSA-N	311.765	1.566	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccoc1Br	770675635	DUFFOOZKUVEIBM-UHFFFAOYSA-N	301.075	1.728	50	20	DDGD	
Cc1nn(C)c(C)c1OCC(=O)NNc1cc(F)ccc1F	885142676	HAQUAFFVZPBTDY-UHFFFAOYSA-N	310.304	1.837	50	20	DDGD	
O=C(NN=Cc1ccccc1OCC(F)F)C(=O)NC1CC1	884405935	HTNRVLFUQLPVTH-UHFFFAOYSA-N	311.288	1.059	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccnn2)cc1C1CC1	882059248	LSAPLAUPDCIRJC-UHFFFAOYSA-N	312.329	1.437	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNc2ncc(F)cn2)cc1	784949922	QFVBASICRIZYNP-UHFFFAOYSA-N	303.297	1.260	50	20	DDGD	
O=S(=O)(CBr)N1CCn2c1nc1ccccc12	782413456	ZAAOXDOYMJISPW-UHFFFAOYSA-N	316.180	1.539	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCCc1nc(C2CC2)no1	887144721	WZAATRHJEUYSDW-UHFFFAOYSA-N	304.350	1.221	50	20	DDGD	
Cc1cc2cc[nH]c2cc1NC(=O)C(=O)NNc1ncccn1	782123212	DHVWCQBJMKLDIQ-UHFFFAOYSA-N	310.317	1.348	50	20	DDGD	
C#CCOc1cccc(NC(=O)C(=O)NN(C)c2ccccc2)c1	783432958	IEOCXADHZMJRRU-UHFFFAOYSA-N	323.352	1.805	50	20	DDGD	
O=S(=O)(CCCCl)NCc1nc(O)c2ccccc2n1	882332097	PODWYHWPIPJSMH-UHFFFAOYSA-N	315.782	1.384	50	20	DDGD	
C=CCCN(CC(=O)NNC(=O)C1CC1)OCc1ccccc1	782668985	ICHBNLZFNCWKED-UHFFFAOYSA-N	317.389	1.554	50	20	DDGD	
CCC(=NNC(=O)CNc1ccc(OC)cc1)c1cn[nH]c1	788951533	LTYCFZOXVWZOEW-UHFFFAOYSA-N	301.350	1.761	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H]1CCC(=O)c2cccn21	788720784	QLEDCWKQOPIMDS-AWEZNQCLSA-N	311.341	1.775	50	20	DDGD	
Cc1ccncc1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	785889937	LDIUVQNOHYMRTO-LLVKDONJSA-N	307.350	1.129	50	20	DDGD	
CC/C(C)=C(\C)C(=O)OCC(=O)NNC(=O)c1ccccc1	780217512	YWTKEEXCWZNTQR-VAWYXSNFSA-N	304.346	1.737	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	785409389	AHQBRVNCORIIJG-BGZDPUMWSA-N	309.288	1.083	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1csc(N2CCCCC2)n1	896292883	FLBCDFUMOJICBC-UHFFFAOYSA-N	308.407	1.695	50	20	DDGD	
NC(=O)[C@H](Cc1ccc(F)cc1)NNC(=O)c1ccccc1F	784059924	FXJLNYXUPFZMTE-AWEZNQCLSA-N	319.311	1.296	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C(C)C)cnc1Br	788141055	FFHLCHNNHKTRAF-UHFFFAOYSA-N	316.155	1.270	50	20	DDGD	
CCS[C@H]1CCCC[C@H]1NCC(=O)NNC(=O)C(C)(C)C	787304730	GTFDQSZDGLZWAT-NEPJUHHUSA-N	315.483	1.834	50	20	DDGD	
Cc1nn(C)c(C)c1CCC(=O)NNc1ncncc1Cl	781833882	OIUCGVLCZZMILO-UHFFFAOYSA-N	308.773	1.556	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@@H]1CC(=O)N(c2ccccc2)C1	781363370	PHTHUIVTXZMAQM-LLVKDONJSA-N	314.320	1.717	50	20	DDGD	
C=C[C@H]1CCCCN1CC(=O)NNC(=O)c1ccc(C)cc1	785997269	KIVIDCFKBCNSDF-HNNXBMFYSA-N	301.390	1.797	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2cnccn2)ccc1F	782093638	SCCOHIIHXZQCPN-UHFFFAOYSA-N	305.269	1.091	50	20	DDGD	
Cc1cnc2c(C(=O)NNc3nccnc3C(C)C)cnn2c1	897587127	HALSZRZOOFVSOQ-UHFFFAOYSA-N	311.349	1.708	50	20	DDGD	
Cc1nn(C)c(C=NNC(=O)CC(C)C)c1Br	790287175	JFVVOUOIUBVIHR-UHFFFAOYSA-N	301.188	1.987	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC2(CCC2)c2ccccc21	792317097	KGVSVYOTZJXJTD-GFCCVEGCSA-N	301.390	1.874	50	20	DDGD	
CC(=O)NNC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1	794744318	NEFNBUSVOPNBDK-UHFFFAOYSA-N	312.251	1.672	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)c1ccc(S(N)(=O)=O)o1	799757803	KIFHHSQUKPOEOU-UHFFFAOYSA-N	323.374	1.555	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCC(C)CC1)c1ccc(O)nn1	790149696	OMOYFSZSLDAGJZ-GFCCVEGCSA-N	319.409	1.390	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)COC(F)F	794895751	IXRHTNRUTWSTEQ-UHFFFAOYSA-N	308.668	1.349	50	20	DDGD	
Cc1cccnc1NNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O	791212614	CHZUAMRQIBBQIQ-UHFFFAOYSA-N	310.313	1.373	50	20	DDGD	
C[C@@]12CCN(CC(=O)NNC(=O)C3CC3)C[C@H]1C2(Cl)Cl	792909977	UXYZLUFITSAWEH-BXKDBHETSA-N	320.220	1.060	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)c2cccc(C)n2)c1C	794090177	OTJAWTXWACKLGT-UHFFFAOYSA-N	315.377	1.770	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCC[C@H](F)C2)c1	1325999308	LMERZBIPJCTOFA-QWHCGFSZSA-N	304.325	1.783	50	20	DDGD	
Cn1ccc(NNC(=O)CCc2nc(-c3ccsc3)no2)n1	1326696843	DWDVVSYHKBWLMZ-UHFFFAOYSA-N	318.362	1.608	50	20	DDGD	
O=C(NNc1ncccc1F)c1ccc2nnc(C(F)F)n2c1	1322239161	ANGHESNSWIHVFG-UHFFFAOYSA-N	322.250	1.958	50	20	DDGD	
CC(=NNC(=O)C1CCOCC1)[C@@H](C)NC(=O)OC(C)(C)C	1331993895	IUULAGRDPHSDDN-SNVBAGLBSA-N	313.398	1.818	50	20	DDGD	
O=C(NNc1ccc(-n2cccn2)nn1)N[C@@H]1CCC[C@H](F)C1	1332092970	HBJKBCQWXWFSGX-WDEREUQCSA-N	319.344	1.569	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ncoc1[C@H]1CCCO1)C1CC1	1261746179	AYOOJLASYUYIKC-WCBMZHEXSA-N	324.406	1.434	50	20	DDGD	
O=C(C1CCC(Cl)CC1)N1CCN(C[C@@H]2CCOC2)CC1	1349288648	PZWFGFRZDJQBFN-NFOMZHRRSA-N	314.857	1.965	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1c(F)ccnc1Cl	1348442295	BHKYCIUGMVISQM-UHFFFAOYSA-N	304.778	1.782	50	20	DDGD	
CO[C@](C)(C(=O)NNc1nncc(N)c1Cl)c1ccccc1	1340556789	YICLEDSTUWOYKO-AWEZNQCLSA-N	321.768	1.717	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21	1358157706	ATFUYTYIMLKABA-GMXVVIOVSA-N	306.366	1.095	50	20	DDGD	
O=C(C1CCC(Cl)CC1)N1CCC(n2cnnc2O)CC1	1520145644	IWSYCRYIKWJZSR-UHFFFAOYSA-N	312.801	1.945	50	20	DDGD	
CS[C@@H]1CCC1=NNC(=O)c1cccc(-c2nn[nH]n2)c1	1605371098	IIIXKOPQQAUNRK-LLVKDONJSA-N	302.363	1.478	50	20	DDGD	
O=C(C[C@H]1CCCC(=O)N1)NNc1ccc(C(=O)O)c(F)c1	1601252834	YUOQWYQBQBMRAU-MRVPVSSYSA-N	309.297	1.026	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1cc(C(=O)O)ccc1Cl	1600674673	JQZCAEHUFANJQY-UHFFFAOYSA-N	306.709	1.834	50	20	DDGD	
C#CCC(C)(C)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	1602696166	CYJUROYTVKPGJZ-UHFFFAOYSA-N	319.756	1.408	50	20	DDGD	
CC[C@H](C(=O)NNc1ccc(C(=O)O)cc1F)N1CCCC1=O	1609884673	SIMVBUIMUKKSHK-GFCCVEGCSA-N	323.324	1.368	50	20	DDGD	
O=C(O)CC1(CC(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)CCCC1	1608677263	DEWMOXJHBYRMAX-GRYCIOLGSA-N	324.377	1.127	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCO[C@H]1c1nccn1C)c1cc[nH]n1	1549317788	WUJATYVBWRHHCL-WCQYABFASA-N	316.365	1.151	50	20	DDGD	
CNNC(=O)[C@H]1Cc2c(C)cccc2N1C(=O)OC(C)(C)C	1578744498	ISLGMKGHHLAMSW-CYBMUJFWSA-N	305.378	1.912	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H]2C[C@H]3CN[C@@H](C3)C2)c1	1579832384	FWYUXMXCYURXHQ-DCAQKATOSA-N	308.407	1.141	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)c1cc2ccccc2o1)C(=O)O	1589538298	HEAMJFPAMZPLED-VIFPVBQESA-N	319.317	1.488	50	20	DDGD	
Cc1cc(C(=O)N2CC3(CCCN3C(=O)[C@H](F)Cl)C2)c[nH]1	1843363891	FFRBXTYQUMKPDU-NSHDSACASA-N	313.760	1.675	50	20	DDGD	
C=C[C@@](C)(CCOC)C(=O)NNc1ccc(CC(=O)O)cc1	1588681699	CWQWBZJYDVIVPY-INIZCTEOSA-N	306.362	1.986	50	20	DDGD	
CC(C)(CC(F)F)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1589270023	RZGXPUSJQUWRFU-UHFFFAOYSA-N	310.308	1.991	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H]1C[C@H](C(=O)O)c2ccccc21	1591765350	TYNZMZNXLHZPGL-UCFRMXPJSA-N	300.314	1.860	50	20	DDGD	
CC(C)N1CCC[C@@H]1C(=O)NNc1ccc(F)c(C(=O)O)c1	1591624019	HJSDJZYNWLBDKE-CYBMUJFWSA-N	309.341	1.840	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)CN	1847867590	YLGLVPCXEJTRKE-RNJOBUHISA-N	315.845	1.191	50	20	DDGD	
C[C@H](Cn1cccn1)NC(=O)NNc1ccc(F)c(C(=O)O)c1	1592925642	GXWKJTNQLVLBKC-SECBINFHSA-N	321.312	1.435	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Nc2cccc(C(=O)O)c2)cc1	1594617767	KQLIGMAJVHSRNP-UHFFFAOYSA-N	324.296	1.723	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1cnn(C2CCC2)c1	1594781716	SZEYTPRXIBTVBT-UHFFFAOYSA-N	301.306	1.458	50	20	DDGD	
CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](Cl)CC)C2)C1	1781212650	DHXQLOXZIREOLN-WFASDCNBSA-N	316.829	1.634	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccnc(-n2cccn2)c1	158452720	CINJSAKLBGNGEO-UHFFFAOYSA-N	303.322	1.437	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNC(=O)N[C@@H]1C=CCCC1	158794170	ANNYMESTLUVNAV-CYBMUJFWSA-N	314.345	1.376	50	20	DDGD	
CCc1ccc(CCC(=O)NNC(=O)c2cc(C)n[nH]2)cc1	152946527	NRYIPEPCXLFYJK-UHFFFAOYSA-N	300.362	1.674	50	20	DDGD	
O=C(Cc1c[nH]c2ncccc12)NNc1ccc(Cl)nn1	153946927	VVBLVJVDOPYITO-UHFFFAOYSA-N	302.725	1.692	50	20	DDGD	
C[C@@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)CCc1ccccc1	154162585	XPXBIGAKJDRRMN-GFCCVEGCSA-N	319.405	1.317	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cccc3c2oc(=O)n3C)n1	156740175	NTJQXJAXCILRTA-UHFFFAOYSA-N	313.317	1.295	50	20	DDGD	
COc1ccc(NNC(=O)NCCc2cccc(OC)c2)nc1	156797479	POXAEAYSGNCBOR-UHFFFAOYSA-N	316.361	1.968	50	20	DDGD	
CCN(CC(=O)N(C)NC(=O)OCc1ccccc1)C1CC1	862290447	WCMIHPZHLJXQFJ-UHFFFAOYSA-N	305.378	1.771	50	20	DDGD	
CO[C@]1(C(=O)N(C)NC(=O)OCc2ccccc2)CCSC1	899127333	YDOVUVNHUBWUHK-OAHLLOKOSA-N	324.402	1.808	50	20	DDGD	
Cc1cc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)oc1C	119756139	YKGVIVPVNQVNDH-NSHDSACASA-N	300.380	1.002	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccc(C)s2)c1O	54163645	KPEDDSBDRPFXNJ-UHFFFAOYSA-N	306.343	1.846	50	20	DDGD	
CN(C)N(C(=O)C1CCCCCC1)[C@H]1CCS(=O)(=O)C1	102832622	RZSKQWHSBYUUGV-ZDUSSCGKSA-N	302.440	1.449	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cnn(C)c2)c(C)n1C1CC1	117820731	LCMNGQRFLPEHRL-UHFFFAOYSA-N	301.350	1.248	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)CCOc2ccccc2)no1	64227850	MSFQFGKJMDOSLL-UHFFFAOYSA-N	318.333	1.283	50	20	DDGD	
Cc1[nH]c(-c2ccccn2)n/c(=N/NC(=O)[C@H]2CCOC2)c1C	114891682	NWSHYTYWANQIGM-LBPRGKRZSA-N	313.361	1.057	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNc1cc(F)c(F)cc1F	115720085	BPXQJDUFEXZQMY-UHFFFAOYSA-N	303.284	1.709	50	20	DDGD	
Cc1cccc(CSCC(=O)NNc2nnc(C)c(O)n2)c1	23309457	IBBBDMNVQIOZAJ-UHFFFAOYSA-N	319.390	1.571	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)[C@@H]1COc2ccccc2O1	118504650	AQUDKXPBQAQERW-JTQLQIEISA-N	306.709	1.413	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H]1CC(=O)N(CC)C1)c1ccccc1	110344263	WSXIJWPSIPKMNI-KBPBESRZSA-N	317.389	1.196	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H](C)OCC2CC2)c1	68287472	NZYKXWPQFPRSID-CYBMUJFWSA-N	320.389	1.645	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)c1cc(C)n[nH]1)c1ccc(F)cc1	178369956	TWDZLKGYDUOPTD-VQHVLOKHSA-N	302.309	1.722	50	20	DDGD	
COc1cccc2c1OCC(C(=O)NNc1ncc(F)cn1)=C2	123060639	MYFRNPRQTMUEOA-UHFFFAOYSA-N	316.292	1.543	50	20	DDGD	
Cc1cc(NNC(=O)CSCc2cccnc2)nc(C)n1	128859592	NDGFLFDLJFALJR-UHFFFAOYSA-N	303.391	1.865	50	20	DDGD	
C[C@H](NCC(=O)NNC(=O)c1ccc(F)cc1)c1ccccn1	182493958	JYWLWWWXFQMDEE-NSHDSACASA-N	316.336	1.333	50	20	DDGD	
CCC[C@H](C)N1C[C@H](C(=O)NNC(=O)c2ccccc2)CC1=O	125989164	NNSZCIQORWIEGL-GXTWGEPZSA-N	317.389	1.485	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@H]2C[C@]2(C)C(C)C)c1O	186525105	CLCMXCSHWGAOBE-BDJLRTHQSA-N	306.362	1.844	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNC(=O)Nc1ccsc1	186536155	XQVZDQFYCVUMIP-UHFFFAOYSA-N	316.342	1.851	50	20	DDGD	
NC(=O)c1cc(NC(=O)NNC(=O)c2ccccc2)ccc1F	123434664	XZNUSWQELQKYPL-UHFFFAOYSA-N	316.292	1.391	50	20	DDGD	
Cc1cc2c(cc1C)O[C@H](C(=O)NNC(=O)NC1CCCC1)C2	79788383	HNAYWIZIVHQGOC-HNNXBMFYSA-N	317.389	1.880	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)COCc2ccccc2)c1	78192340	ULNVGSTXMNEJMQ-UHFFFAOYSA-N	314.341	1.673	50	20	DDGD	
CC#CCCCC(=O)NNC(=O)CNc1cccc(OC)c1	186380462	ZVMQSAQLKXTXIU-UHFFFAOYSA-N	303.362	1.448	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1cccc2[nH]ccc12	184733117	DKNPSFOXMOXOKW-UHFFFAOYSA-N	309.329	1.958	50	20	DDGD	
COc1ccc2[nH]cc(CC(=O)NNC(=O)C(C)(C)C)c2c1	77220597	OZHAXGPMQOWCDA-UHFFFAOYSA-N	303.362	1.913	50	20	DDGD	
C[S@@](=O)Cc1ccccc1NC(=O)NNc1ncccn1	128302074	RVTAFMIXNOTZSA-NRFANRHFSA-N	305.363	1.504	50	20	DDGD	
COc1ccc(CCNC(=O)NNc2cccc(OC)n2)cc1	180796868	ZCRNRVAQOSAZPX-UHFFFAOYSA-N	316.361	1.968	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cnn(C(C)C)c2C)nc1	180778796	DOWLEJPZICOCPV-UHFFFAOYSA-N	317.349	1.711	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NC[C@@H]1CC(=O)N(C2CC2)C1	185639394	GVHJUSVKTZSNAD-NSHDSACASA-N	320.368	1.771	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc(Cn2ccnc2)cc1	78909784	NMCAUAGUECXEKD-UHFFFAOYSA-N	323.356	1.345	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2cccc(OC)n2)c1	180684401	FXHQNWCXWMRLIZ-UHFFFAOYSA-N	300.318	1.207	50	20	DDGD	
O=C(NNC(=O)c1cccc2cn[nH]c12)c1ccc(Cl)nc1	77249083	YDCPSRLTGUNPEJ-UHFFFAOYSA-N	315.720	1.686	50	20	DDGD	
COc1cccc(NNC(=O)C[C@@](C)(O)c2ccccc2)n1	183029910	VNAWWJDKOAXTCN-MRXNPFEDSA-N	301.346	1.831	50	20	DDGD	
O=C(NCc1ncccc1F)NNC(=O)c1ccccc1O	132403414	ZKTPHOXLDYJAJW-UHFFFAOYSA-N	304.281	1.071	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(Br)o1	132065449	VNLUCIYPVGZOLW-UHFFFAOYSA-N	313.111	1.598	50	20	DDGD	
O=C(Cc1cc2ccccc2[nH]c1=O)NNC(=O)c1ccccc1	46810628	DRVHLAKHHOHQKT-UHFFFAOYSA-N	321.336	1.532	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCOc1c(C)cccc1C	42785702	XDFZRUUXSANUFS-UHFFFAOYSA-N	307.419	1.754	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNc1nc(-c2ccccc2)no1	132257684	NGBSGNGXMDICKF-SECBINFHSA-N	304.306	1.379	50	20	DDGD	
NC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1	195328469	LTTSWUMGBGNGJG-MRXNPFEDSA-N	324.384	1.313	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	194918694	OMGAEFRRMPXLJG-UHFFFAOYSA-N	322.752	1.344	50	20	DDGD	
CC[C@@H](C)CC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12	190511245	NTOIBSXWUZBYHX-SNVBAGLBSA-N	316.361	1.131	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	192930601	QOXMWZPOUZBWIU-HTQZYQBOSA-N	316.279	1.126	50	20	DDGD	
C[C@H]1CCCC[C@@H]1OCCNC(=O)NNC(=O)c1ccc[nH]1	193815859	UOTMATDNTULTIT-AAEUAGOBSA-N	308.382	1.554	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@H]2CCCOC2)cc(C#N)n1C	194862858	QXSBHFXKYWHMRF-WXYNBALXSA-N	312.373	1.655	50	20	DDGD	
COc1ccc(OC)c(CCC(=O)NNC(=O)c2ccc[nH]2)c1	97089408	SCUWLIMVJLQWCW-UHFFFAOYSA-N	317.345	1.426	50	20	DDGD	
CCOCCC1(CNC(=O)NNc2nccc(OC)n2)CC1	269912053	PFMNSVDUIWTXSS-UHFFFAOYSA-N	309.370	1.318	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C[C@H]2CCCCO2)cn1	268006301	OJDKSLQOSAOUGS-LLVKDONJSA-N	324.406	1.367	50	20	DDGD	
O=C(C[C@@H]1CNCCO1)NNc1ccc(Cl)cc1[N+](=O)[O-]	269223793	KRGKCXDFYCDNOT-SECBINFHSA-N	314.729	1.070	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)OC(C)(C)C)c(N)c([N+](=O)[O-])c1	264180768	ARULXWKKMFHTII-UHFFFAOYSA-N	310.310	1.655	50	20	DDGD	
CC(C)[C@@H](NC1CCOCC1)C(=O)NN(C)c1ccccc1	266502728	GCHFNGDHEYNQJB-MRXNPFEDSA-N	305.422	1.947	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNc2ncnc3ccsc23)C1	269743227	ZWXGUIAEQCDABU-VIFPVBQESA-N	319.390	1.393	50	20	DDGD	
CC(C)CN1N=C(C(=O)NNC(=O)OC(C)(C)C)CCC1=O	368425471	FSDDUASCBMPUOH-UHFFFAOYSA-N	312.370	1.177	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H](C)c2ncn(C)n2)cc1	275664861	YXOZPUIJQAMIBT-JTQLQIEISA-N	316.365	1.083	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cccn2C)cc1F	279285991	OVOMJLGBSDJJGY-UHFFFAOYSA-N	319.336	1.567	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1ccc(C)c(Cl)c1	274341291	IINZSCYMDUNBIF-UHFFFAOYSA-N	305.787	1.503	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H]2CC23CCS(=O)(=O)CC3)c1	278715098	SJTUBYCGEJTONW-CYBMUJFWSA-N	308.403	1.653	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Nc2c(C)noc2C)c1	273426704	ULGIHRCBEUZGHP-UHFFFAOYSA-N	318.333	1.832	50	20	DDGD	
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC=C(C#N)CC1	272878579	XHYISTKQHKYANV-UHFFFAOYSA-N	307.331	1.748	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2ccc(OC)cc2)n(C)n1	275577740	BSTCYJXPURUUBT-UHFFFAOYSA-N	317.349	1.073	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C[C@H](C)c2c(C)noc2C)n1	279739599	AKUNABXGZJFJQI-VIFPVBQESA-N	316.361	1.950	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2CCN3CCC[C@@H]3C2)n1	371831185	TWSSKIVGNAHUOB-VXGBXAGGSA-N	320.397	1.047	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc(F)ccc1O	276510883	DWPDKWZPRSEKHY-UHFFFAOYSA-N	314.313	1.082	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H](C)c2nnc3n2CCC3)nc1	275924666	HAELHZKDSDNKDZ-VIFPVBQESA-N	317.353	1.015	50	20	DDGD	
O=S(=O)(CBr)N1CC[C@H](Oc2ccccc2)C1	373316459	IGYVQACCSPSLNT-NSHDSACASA-N	320.208	1.822	50	20	DDGD	
CCN(CC(=O)NNc1ccc2c(O)nccc2c1)C1CC1	285732905	OZTBBBKXZLXXFS-UHFFFAOYSA-N	300.362	1.868	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H](C)N1CCSCC1	281161017	IEUWRCMQKILRDT-GFCCVEGCSA-N	322.434	1.585	50	20	DDGD	
COCc1cnc(NC(=O)NNC(=O)c2cccn2C)s1	287682565	YWOFJBBTRYPOQV-UHFFFAOYSA-N	309.351	1.095	50	20	DDGD	
CCOc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)CC1CC1	281979572	OPNGZUFFSBTEKO-UHFFFAOYSA-N	322.321	1.946	50	20	DDGD	
O=C(NC[C@H]1CCCSC1)NNc1ccc(Cl)nn1	287991988	OLPYQMUSCBJMAJ-MRVPVSSYSA-N	301.803	1.899	50	20	DDGD	
CCN1C[C@H](C(=O)NNC(=O)Nc2ccc(Cl)cc2)CC1=O	283774830	QAPBKAYQTKGIQA-SECBINFHSA-N	324.768	1.361	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)COc1ccccc1O)C(F)(F)F	288273828	DONFTJUPRPGFCQ-ZETCQYMHSA-N	321.255	1.052	50	20	DDGD	
O=C(CCCC1CCOCC1)NNC(=O)NCc1ccco1	281690901	SCCTYDFNVGNUGG-UHFFFAOYSA-N	309.366	1.707	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccoc1Cl	288098730	WQYBIDSLUBBTCQ-UHFFFAOYSA-N	304.730	1.483	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)cn1	802100004	RNELIGMNQSVMTM-UHFFFAOYSA-N	324.296	1.258	50	20	DDGD	
COC(=O)c1c(F)cc(NC(=O)NNc2cnccn2)cc1F	801845043	QOJXSSAZGVIDPW-UHFFFAOYSA-N	323.259	1.690	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1nccn1-c1ccccc1	801754946	KOWNNTAYRCWNBV-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
O=C(COc1cc(F)cc(F)c1)NNC(=O)c1cccnc1	809957198	VFGCSXBPPNNDGB-UHFFFAOYSA-N	307.256	1.200	50	20	DDGD	
CCc1ccccc1S(=O)(=O)NNC(=O)[C@H]1CCCCO1	294944563	AEAOAAMYDJQGRA-GFCCVEGCSA-N	312.391	1.128	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C1=C(CC)OCCC1	807371644	PYAAQKYPKNIJRL-UHFFFAOYSA-N	314.382	1.398	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc2c(c1)SCC(=O)N2	291489046	LIOVIBIWNFWYKU-UHFFFAOYSA-N	308.363	1.083	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=O)[C@H]1CCCCO1	296837735	KUAOHEVERRDEIV-GFCCVEGCSA-N	322.321	1.625	50	20	DDGD	
CC(=O)C1(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)CC1	292663836	NQIYQEPRBUXXBR-SECBINFHSA-N	308.309	1.110	50	20	DDGD	
CCCN(NC(=O)CCn1cnccc1=O)C(=O)OC(C)(C)C	293731424	UWKDTSZYLUYNRL-UHFFFAOYSA-N	324.381	1.312	50	20	DDGD	
CC(C)Nc1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)cn1	802035650	GVFCZJAIKGWNPH-UHFFFAOYSA-N	314.349	1.185	50	20	DDGD	
COc1ccc(F)cc1NC(=O)NNC(=O)[C@@H]1CCCCO1	296777573	GSJMFBCIVLHUBD-LBPRGKRZSA-N	311.313	1.556	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNc1ccc2c(=O)[nH]ccc2c1	803428240	WQOFAWSPMKDCKQ-LLVKDONJSA-N	301.346	1.952	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc(F)c(F)c(O)c2F)O1	293785561	BUFGYXYOUFRMLL-XNCJUZBTSA-N	318.251	1.138	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCCC(=O)NC)c1C	299068327	JYLQDWZLINCDDM-XNTDXEJSSA-N	316.405	1.674	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1c(F)ccc(O)c1F	809795198	NOUDYSSVBHTMLI-UHFFFAOYSA-N	305.244	1.470	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1snnc1C1CC1	810564268	CGUUBNBGAAQPES-UHFFFAOYSA-N	316.386	1.728	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNC(=O)c1ccc(C)cc1O	810173133	WLOPFCAKKNVTAP-UHFFFAOYSA-N	308.337	1.686	50	20	DDGD	
CN(NC(=O)CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O)C1CC1	819649613	UNJSPGMYULUUJG-MRXNPFEDSA-N	322.409	1.003	50	20	DDGD	
O=C(CNC(=O)c1cccc(Cl)c1)NNc1ncncc1F	817081451	BVKSQJPIZPTPDV-UHFFFAOYSA-N	323.715	1.142	50	20	DDGD	
CC(=O)Nc1cccc(CC(=O)NNC(=O)CC2CCCC2)c1	819863136	LMOHOKVADCECHO-UHFFFAOYSA-N	317.389	1.915	50	20	DDGD	
O=C(NNC(=O)c1ncoc1C(F)(F)F)c1ccccn1	816808702	WCSFTKXZCNUDIA-UHFFFAOYSA-N	300.196	1.163	50	20	DDGD	
COCCN(C)NC(=O)c1cc(=O)c2ccc(Cl)cc2o1	817603515	RLXQEXGWWYLNIV-UHFFFAOYSA-N	310.737	1.669	50	20	DDGD	
Cc1cc(Br)ccc1C(=O)NNc1cnnn1C	816770887	PQDPCODAPDIQEO-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1cccc(CO)c1	813372992	UCYTXCILRHEXPP-UHFFFAOYSA-N	309.325	1.735	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1ccc2c(c1)CCO2	728077259	USVPVVGCRTWIDT-UHFFFAOYSA-N	323.312	1.823	50	20	DDGD	
CO[C@@]1(CNC(=O)/C(C#N)=C/c2ccc(F)cc2)CCOC1	490881627	YQZHELIIKIIMFW-WDBUWWRISA-N	304.321	1.654	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2cccnc2N2CCCC2)cn1	822522653	FTCBLNINKHCCER-ZROIWOOFSA-N	322.372	1.961	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cnn(-c2ccccc2)c1C1CC1	823977343	USHNAZFUAASRSD-GFCCVEGCSA-N	314.389	1.707	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NNC(=O)c1ccccn1	491053361	YDMGPFALUGJETE-XFXZXTDPSA-N	310.288	1.589	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(C(=O)OC)c(F)c2)n(C)n1	823434634	GZFPWJVPSUAHSY-UHFFFAOYSA-N	320.324	1.665	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1cnc(C2CC2)nc1	496656791	AKKVXESMSVRQEM-UHFFFAOYSA-N	319.365	1.329	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](NC(=O)/C(C#N)=C/c2ccc(O)cc2)C1	491133181	OQVRBCOWAYHRCX-RDPDKSPKSA-N	300.314	1.367	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCCCC(=O)O)cc(C#N)n1C	820945056	QWRHAHIMSCFAJP-NTUHNPAUSA-N	314.345	1.483	50	20	DDGD	
CNC(=S)N(C)NC(=O)COc1cc(Cl)ccc1C	823558417	IDQGVFQGTGVIHV-UHFFFAOYSA-N	301.799	1.495	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(C(F)(F)F)ccc1NC	823893850	YWZZXPCSLPOWMM-UHFFFAOYSA-N	305.300	1.706	50	20	DDGD	
COC(OC)C(=O)NNC(=O)Nc1ccc(Cl)cc1Cl	822764772	NERWPOLUUIZQDL-UHFFFAOYSA-N	322.148	1.765	50	20	DDGD	
O=C(NCB(O)O)c1ccccc1SCc1cscn1	585060606	TXMHEQZJTZNWII-UHFFFAOYSA-N	308.193	1.177	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1	823983393	SLLIYDSQXJSGFO-SECBINFHSA-N	308.769	1.688	50	20	DDGD	
C/C(=C/C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1CC1	823944001	WTHQIHVLIGCVOH-DAXSKMNVSA-N	319.756	1.715	50	20	DDGD	
Cc1cc(CCNC(=O)c2cc(B(O)O)ccc2F)c(C)s1	584945806	LGBLCCXGIRVCTK-UHFFFAOYSA-N	321.182	1.156	50	20	DDGD	
CC[C@H](C)c1nc(C)c(CC(=O)NN(CC)CCO)c(C)n1	823893464	KBNPQPFJQQLNHV-NSHDSACASA-N	308.426	1.495	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(N(C)C)cc(C(F)(F)F)c1	823912178	BIBZLWDPFIVMTL-VIFPVBQESA-N	319.327	1.729	50	20	DDGD	
CCc1ccc(O)c(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1	825716793	BGNZOAWWJOGGIT-UHFFFAOYSA-N	324.344	1.892	50	20	DDGD	
Cc1ccc(Cc2nnc(NC(=O)NNC(=O)O)s2)cc1	738602206	JZNZQIIFIPRLBK-UHFFFAOYSA-N	307.335	1.741	50	20	DDGD	
O=C(NCCNS(=O)(=O)CCl)c1ccc(Cl)cc1	829876178	HHFGHJWFPJKZLP-UHFFFAOYSA-N	311.190	1.186	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cnn(C2CCC2)c1	901196677	SMNFFJKRQITEFV-UHFFFAOYSA-N	305.382	1.363	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cnc[nH]2)c(C)n1-c1ccccc1	731891715	CTAZKAVZAVLOQI-UHFFFAOYSA-N	323.356	1.892	50	20	DDGD	
CC(C)[C@]1(C)C[C@@H]1NC(=O)NNC(=O)COc1ccc(F)cc1	838764962	FRIPLNDAPMWWIL-BBRMVZONSA-N	323.368	1.970	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@H]1CC[C@H](c2ccccc2)C1	584912272	QRRIOLDCAIWKDQ-GJZGRUSLSA-N	309.174	1.889	50	20	DDGD	
CC(=NNC(=O)[C@H](C)Oc1cccc(C)c1C)c1cnn(C)n1	834930881	XVYJGIMODYZQCJ-ZDUSSCGKSA-N	315.377	1.740	50	20	DDGD	
Cc1cccc(C)c1OC[C@@H](O)CNS(=O)(=O)CCl	830615324	YTJXNESWAJLUPY-NSHDSACASA-N	307.799	1.159	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)NNc2ccncn2)C1	836349570	TYKQBLHANDNDJQ-FRRDWIJNSA-N	306.414	1.469	50	20	DDGD	
CCC(=O)Nc1ccc(NCc2ccc(B(O)O)o2)cc1C	585013109	LLVFHKUXZQMLAF-UHFFFAOYSA-N	302.139	1.228	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCO[C@@H](c2ccc(F)cc2)C1	731848688	KXBFSUZDMXTVKK-SMDDNHRTSA-N	323.368	1.145	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21)c1cccc2ccccc12	906790933	QSNDERJTAPTQLE-NUEKZKHPSA-N	308.337	1.826	50	20	DDGD	
CC(=O)N1CCCN(C(=O)[C@@]2(C)C[C@H]2Br)CC1	905532321	XOAOIFOSZSTHES-PWSUYJOCSA-N	303.200	1.241	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)N[C@H]1CC[C@@H](C(=O)O)C1	831077672	XIRMJHBFTWZEMZ-RQJHMYQMSA-N	317.267	1.983	50	20	DDGD	
OB(O)c1ccccc1CNC[C@@H](c1ccccc1)N1CCCC1	585014641	XSOFFQIHIFXDKZ-IBGZPJMESA-N	324.233	1.293	50	20	DDGD	
O=C(NC[C@H]1COCCO1)NNc1cc(C(F)(F)F)ccn1	836245100	ILCQODIZUNGOOR-VIFPVBQESA-N	320.271	1.142	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1cnn(C)c1)C1CCCCC1	735513604	SFLBUXFXJZCWBS-ZDUSSCGKSA-N	307.398	1.723	50	20	DDGD	
CC(C)C(=O)NCCCNC(=O)[C@@]1(C)C[C@H]1Br	907133825	NIRYXKSZGOAGOQ-SKDRFNHKSA-N	305.216	1.438	50	20	DDGD	
Cc1cccc(CN(C(=O)c2ccc(B(O)O)cc2)C2CC2)c1	584928779	WVFXQNVPBSOIJC-UHFFFAOYSA-N	309.174	1.480	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1CCCCc2sccc21	584982193	DLIXZBWCYKIALT-UHFFFAOYSA-N	319.166	1.550	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H](C)CSC)c1F	838480286	DRSWPQJGDOVTKX-QMMMGPOBSA-N	315.370	1.990	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1CCC[C@@H]1C1CCCCC1	584931895	KKWPOUGFDPXTGG-MRXNPFEDSA-N	319.185	1.690	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1	585026667	PXNYJJFGACTXPK-CHWSQXEVSA-N	315.144	1.825	50	20	DDGD	
COCCN(C)NC(=O)C1(c2cccc(Cl)c2)CC(=O)C1	837626162	BBQGYGLCGJLITO-UHFFFAOYSA-N	310.781	1.550	50	20	DDGD	
CSCC[C@H](O)C(=O)NNc1cccc(Br)n1	837211632	HGLMOYZUXBTQJL-ZETCQYMHSA-N	320.212	1.401	50	20	DDGD	
CNC(=O)C[C@H](C)NC(=O)NNc1ccc(OC(F)F)cc1	838696866	IPTLZWULLZLYHI-QMMMGPOBSA-N	316.308	1.439	50	20	DDGD	
O=C(N[C@H]1CCC[C@H](C2CC2)C1)c1ccc(B(O)O)c(F)c1	584951999	QQTYNBITKHSMIV-AAEUAGOBSA-N	305.158	1.204	50	20	DDGD	
Cc1cc(C)n([C@@H](C)CC(=O)NNC(=O)c2cccn2C)n1	915695399	OEKASPALDVIYIZ-LBPRGKRZSA-N	303.366	1.251	50	20	DDGD	
CS(=O)(=O)Nc1ccc(C(=O)NNc2ccccc2)cc1	732265762	FBWCLGFRRSWSEF-UHFFFAOYSA-N	305.359	1.815	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSc1ncnc2sccc12	917182665	RSRTXMIFPGLYDD-UHFFFAOYSA-N	324.431	1.977	50	20	DDGD	
CC(=NNC(=O)COc1cc(C)ccc1C)c1cn(C)nn1	834922815	OBFQDWSRRWPAJO-UHFFFAOYSA-N	301.350	1.351	50	20	DDGD	
COc1ccc2cccc(CC(=O)NN(C)C[C@H](C)O)c2c1	910160797	PEDLNTHMESRDTO-LBPRGKRZSA-N	302.374	1.735	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)Cc2cccnc2)c(C)c1	731867470	UZYVLDJMMVCNEW-UHFFFAOYSA-N	312.373	1.500	50	20	DDGD	
CC(=NNC(=O)Cc1ccncc1)c1ccc(-n2cncn2)cc1	747640473	BGRBFYNJBRLSEH-UHFFFAOYSA-N	320.356	1.745	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=S)NCc1cccs1	747673094	URSVALGEGSDEIY-UHFFFAOYSA-N	306.416	1.381	50	20	DDGD	
COc1cc(C(=O)NN(C)C[C@H](C)O)cc(OC)c1C(C)C	910152852	VNFPNAYMQQZIGS-NSHDSACASA-N	310.394	1.785	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1c[nH]nc1-c1ccc(C)o1	748252704	HGUISSSMOSREJK-NSHDSACASA-N	320.349	1.480	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@@H]1C[C@@H](C)O[C@@H]1C	840437278	UEXOXFORJFPAFV-UPJWGTAASA-N	305.378	1.753	50	20	DDGD	
CCc1n[nH]cc1C(=O)NNC(=O)COc1ccc(C)c(C)c1	917908383	KLWUDISVORDUFK-UHFFFAOYSA-N	316.361	1.429	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NC[C@@H]1CCCC[C@H]1C	748624741	JVGUHNCGAVKGRP-UPJWGTAASA-N	315.414	1.195	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(F)cc1Br	910178499	XVEMSXMXRDWLSP-ZETCQYMHSA-N	305.147	1.546	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)/C=C/COC)cc1	841375989	NVIIKONBYRGRHN-SNAWJCMRSA-N	309.391	1.606	50	20	DDGD	
O=C(NNc1ccc(F)cc1)[C@@H]1CCN[C@@H]([C@H]2CCCO2)C1	912447903	LAQOUPDYOHWAPB-KCPJHIHWSA-N	307.369	1.816	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1CC12CCCC2	842263094	ZRCRJOKKIHPAJF-JTQLQIEISA-N	309.391	1.357	50	20	DDGD	
CCc1nnc(SCC(=O)NNC(=O)C(C)(C)C)s1	849972867	CZZGXJRJKRGIBA-UHFFFAOYSA-N	302.425	1.386	50	20	DDGD	
C=CCN(CC=C)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	916628625	WPZFWFXTDZSHIV-UHFFFAOYSA-N	318.333	1.030	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccn(C2CCCC2)n1	843655803	WLPXYHCUWQUVNE-ZYHUDNBSSA-N	306.366	1.184	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1ccc(OC)cc1F	748253616	OZOJOUWENJUKRG-LLVKDONJSA-N	312.341	1.726	50	20	DDGD	
Cc1ccc(C)c(C2=NO[C@@H](C(=O)NN(C)C[C@@H](C)O)C2)c1	910184253	YOSXJNYZNQVOHY-IUODEOHRSA-N	305.378	1.140	50	20	DDGD	
C[C@H]1CC[C@H](C(=O)OCC(=O)NNC(=O)c2cccs2)CC1	845420706	GNDIAURKFBGCEE-XYPYZODXSA-N	324.402	1.879	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1cccc(OCC(=O)O)c1	842552600	BIXFEUOWEJMXHY-SMDDNHRTSA-N	320.345	1.415	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1ccccc1-n1cccn1	743469809	VSIIHFSFORKYNG-UHFFFAOYSA-N	320.316	1.296	50	20	DDGD	
NC(=O)N1CCC[C@@H](C(=O)NNc2cc(F)c(F)cc2F)C1	748795259	DLAVNVKUOKTYCW-SSDOTTSWSA-N	316.283	1.338	50	20	DDGD	
CC1=C(C)C(=O)N(CCC(=O)NNc2ccc(Cl)cn2)C1=O	912690473	SEYCUVNTQYRSBQ-UHFFFAOYSA-N	322.752	1.273	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C(C)(C)c2ccccc2)on1	845467462	GYLXPFREWSBQFY-UHFFFAOYSA-N	301.346	1.651	50	20	DDGD	
Cc1nccn1CCNC(=O)NNc1cccc([N+](=O)[O-])c1	749214712	GBACIRXQWXDZMV-UHFFFAOYSA-N	304.310	1.426	50	20	DDGD	
CCS(=O)(=O)C[C@@H](C)NC(=O)NNc1cc(F)ccc1F	918622607	XEAJWWLCPBDVOA-MRVPVSSYSA-N	321.349	1.414	50	20	DDGD	
COC/C(C)=C/C(=O)NNC(=O)COc1cc(C)ccc1C	845079465	MJFILDOZCNNIME-XYOKQWHBSA-N	306.362	1.422	50	20	DDGD	
C[C@H](C(=O)NNc1ncc(Br)cn1)C(F)(F)F	848321108	IZCBBQCKXDSWNM-SCSAIBSYSA-N	313.077	1.881	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H]1C[C@@H](C)C[C@@H](C)C1	748629827	DOWPCQQZWBLCDW-QNWHQSFQSA-N	315.414	1.193	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@@H]1CC[C@@H](CN)C1)c1ccccc1	842010223	HVWCJQZASNNIGN-YUELXQCFSA-N	318.421	1.638	50	20	DDGD	
COC(=O)c1cc(OC(=O)c2ocnc2C)ccc1[N+](=O)[O-]	747824400	VSMSOLGDPYENPE-UHFFFAOYSA-N	306.230	1.897	50	20	DDGD	
CCc1ncncc1C(=O)NNC(=O)c1cc2ccccc2o1	749472880	WEKSPXALATXLQK-UHFFFAOYSA-N	310.313	1.860	50	20	DDGD	
O=C(O)[C@@H]1CN(S(=O)(=O)CCl)C[C@H]1c1ccccc1	843304073	AQMRTXITRBEZFJ-WDEREUQCSA-N	303.767	1.313	50	20	DDGD	
Cn1nccc1C(=O)COC(=O)[C@H](Br)C(C)(C)C	848742350	AOLVGUHJZUEVHU-JTQLQIEISA-N	317.183	1.956	50	20	DDGD	
COCc1c(C(=O)NNC(=O)c2ccc[nH]2)oc2ccccc12	747663018	UJSYZIYTZUCMBM-UHFFFAOYSA-N	313.313	1.982	50	20	DDGD	
C[C@@H]1C[C@@H](C)N(C(=O)NNC(=O)COCc2ccccc2)C1	740916899	DUEVDSXVDXMOSZ-CHWSQXEVSA-N	305.378	1.674	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1[C@@H]2CCCO[C@@H]2C1(C)C	743434715	YIUZVWPABPMBFA-KWQFWETISA-N	308.407	1.955	50	20	DDGD	
COc1cccc(S(=O)(=O)NN(C)C(=O)OC(C)(C)C)c1	841552684	DZSXAVMPRWSJTR-UHFFFAOYSA-N	316.379	1.755	50	20	DDGD	
C[C@@H](C=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1	920379956	CTZLPNBXCYIRDM-AAEUAGOBSA-N	309.391	1.262	50	20	DDGD	
N#Cc1ccc(C(=O)NN=Cc2cc(O)ccc2[N+](=O)[O-])cc1	751132437	DLZCTPOOYUAMBI-UHFFFAOYSA-N	310.269	1.936	50	20	DDGD	
O=C(O)COc1ccc(C=NNC(=O)NCc2ccco2)cc1	920826220	SXVUODRLEVNBFP-UHFFFAOYSA-N	317.301	1.576	50	20	DDGD	
CCC[C@@H](C(=O)NN(C)C(=S)NCCCOC)C(C)C	854283066	GICZOXBSDXUSQT-GFCCVEGCSA-N	303.472	1.933	50	20	DDGD	
Cc1noc(C(F)F)c1C(=O)NNC(=S)NCC1CCC1	855090612	ITOMWZOXAPZTNI-UHFFFAOYSA-N	318.349	1.830	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)N[C@@H]2COC[C@@H]2C)cc1	925990014	DHNLNFSLTYBPLX-WCQYABFASA-N	323.418	1.452	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c(C)c1	853387383	WOOATHRINFVYAX-CVEARBPZSA-N	301.390	1.617	50	20	DDGD	
O=C(NNc1ccncn1)[C@@H](CN1CCCC1)c1ccccc1	854747522	QKFNGCPFILVWRJ-HNNXBMFYSA-N	311.389	1.799	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)COc1ccc(C)cc1)C1CC1	858141108	KSPDXUIRXNLVTG-OAHLLOKOSA-N	306.362	1.336	50	20	DDGD	
C[C@@H]1OCCN(C(=O)NC[C@]2(C)C[C@H]2Br)[C@@H]1C	856903414	PMPINNLQQQQYEL-KLBPJQLPSA-N	305.216	1.979	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl	854923876	LSWAACVSVRGDEJ-SSDOTTSWSA-N	319.789	1.714	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)C1CC1)c1ccc(Cl)cc1Cl	854245506	AEIITQZUHDOPJK-JTQLQIEISA-N	303.145	1.525	50	20	DDGD	
COCCOCCCCNC(=O)NNC(=O)c1ccccc1	750325603	DEYYJQAEYWRIQY-UHFFFAOYSA-N	309.366	1.074	50	20	DDGD	
NC(=O)[C@H]1CC[C@H]1C(=O)NNc1nc(C(F)(F)F)cs1	857148667	HJAMFWQNNDZZIB-CRCLSJGQSA-N	308.285	1.117	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1ccc(Cl)cc1F	755382901	JAZGAVLCWRWIRQ-UHFFFAOYSA-N	309.688	1.736	50	20	DDGD	
C[C@@H](NC(=O)C1CCCC1)C(=O)NNc1ccc(Cl)cn1	856095225	HZEHFSGSGDJHNW-SECBINFHSA-N	310.785	1.873	50	20	DDGD	
C[C@@]1(CNC(=O)CCCCc2cnn[nH]2)C[C@@H]1Br	857396124	YMXWPPCEEUSFMO-JQWIXIFHSA-N	315.215	1.807	50	20	DDGD	
CCc1ccc(C(C)=NNC(=O)c2ccc(-n3cnnn3)cc2)o1	752163061	NOWHNRQJHCTRNV-UHFFFAOYSA-N	324.344	1.972	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H](NC(=O)NNc2cccc(F)c2F)C1	924167634	VFAKRTOJRUQNOZ-BDAKNGLRSA-N	313.304	1.933	50	20	DDGD	
C[C@@]1(CCC(=O)NN=c2cc[nH]c3ccccc23)CCC(=O)N1	753434021	GSGHRFCFYREIKS-KRWDZBQOSA-N	312.373	1.549	50	20	DDGD	
O=S(=O)(CBr)N1CCNC[C@H]1c1ccccc1	850589759	XNQKABKBLVJELF-NSHDSACASA-N	319.224	1.315	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cccc(Cl)c1-n1cccn1	755978777	MGRSWXZUJSECLP-UHFFFAOYSA-N	323.740	1.325	50	20	DDGD	
COC(=O)NNC(=O)c1cc(N(C)C)cc(C(F)(F)F)c1	856757761	SKZGBBAHUVTEMN-UHFFFAOYSA-N	305.256	1.772	50	20	DDGD	
CC[C@@H](N[C@@H](C)C(=O)NNC(=O)CC(C)C)c1c(C)noc1C	754542332	AMJXEARGBIHOCF-WCQYABFASA-N	324.425	1.914	50	20	DDGD	
N#CC[C@H]1CCCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1	852319601	QAVGIMVOLMGGGM-GFCCVEGCSA-N	318.352	1.212	50	20	DDGD	
C[C@@H]1CCC[C@H](CNC(=O)NNC(=O)c2cccc(F)n2)C1	852709639	DFCCWOCQYHRELS-MNOVXSKESA-N	308.357	1.991	50	20	DDGD	
COCCC(Cc1cccc(F)c1)=NNC(=O)c1cc[nH]n1	853392268	IIMHQUOEDOLGER-UHFFFAOYSA-N	304.325	1.914	50	20	DDGD	
C[C@H](CNC(=O)NNc1c(F)cccc1F)S(C)(=O)=O	754672600	CVYOXSZAKWQBIO-SSDOTTSWSA-N	307.322	1.024	50	20	DDGD	
CSCC1(CC(=O)NNC(=O)OCC(F)(F)F)CC1	856026123	MXLDDMOWPLGSRJ-UHFFFAOYSA-N	300.302	1.839	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@H]1Cc1ccccc1	752314152	LLMSVPOXRWWKDJ-ZBFHGGJFSA-N	317.433	1.885	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccccn2)ccc1[N+](=O)[O-]	751281637	CIAXWFFBTMKTDG-UHFFFAOYSA-N	316.273	1.073	50	20	DDGD	
C[C@H](CN1CCCC1=O)NS(=O)(=O)CC(C)(C)CCl	866557577	OTVZTPCUJAXTLG-SNVBAGLBSA-N	310.847	1.182	50	20	DDGD	
Cc1ccccc1NNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1	863855616	KXFGIUDYJGJZJK-LBPRGKRZSA-N	311.407	1.110	50	20	DDGD	
C[C@@H](NNC(=O)c1cn(CC(=O)C(C)(C)C)nn1)C(F)(F)F	862311941	XETNIGSYKCWIIL-SSDOTTSWSA-N	321.303	1.079	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@H]2CCN2C(C)(C)C)c1	862992211	CEFSXXUTPWBYKY-CQSZACIVSA-N	319.405	1.394	50	20	DDGD	
Cc1nc(C(C)C)nc(O)c1C(=O)NN[C@H](C)C(F)(F)F	862310814	GNMBVOVGXUWMGB-SSDOTTSWSA-N	306.288	1.799	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1cnn(C2CCC2)c1	934828680	DQZKYIFECUPQFQ-UHFFFAOYSA-N	312.373	1.920	50	20	DDGD	
COC(=O)c1ncccc1OS(=O)(=O)CC(C)(C)CCl	867097433	JXGQBZQYWDAFCY-UHFFFAOYSA-N	321.782	1.842	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H](c1cccs1)N(C)C	864408722	CRFMOPPMTHSUEM-VIFPVBQESA-N	300.384	1.263	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC[C@@H](OCCO)C1	768293422	ASFPEHAIBXDKIG-MNOVXSKESA-N	322.243	1.796	50	20	DDGD	
O=C(NNC(=O)C1(c2ccccn2)CC1)OCC(F)(F)F	869281890	PFHMOWUGOLCOCZ-UHFFFAOYSA-N	303.240	1.433	50	20	DDGD	
C[C@H]1CC[C@@H](NC(=O)NNC(=O)c2ccc(Cl)cc2)CN1	861685841	RILFVUDUAXRQOA-JOYOIKCWSA-N	310.785	1.425	50	20	DDGD	
CCCn1cc(C(=O)NNc2ccc(-c3ccccc3)nn2)nn1	767149215	ZYLGHMJICIVYIL-UHFFFAOYSA-N	323.360	1.902	50	20	DDGD	
CC(=NNC(=O)CS(C)(=O)=O)c1c(C)oc2ccccc12	863186206	RIEMAUHZMAZDCD-UHFFFAOYSA-N	308.359	1.626	50	20	DDGD	
Cc1ccc(O[C@@H](C)C(=O)NNC(=O)Cc2cc(C)[nH]n2)cc1	869013312	VRTXJPIWOYAANQ-LBPRGKRZSA-N	316.361	1.184	50	20	DDGD	
COCC(=O)NNC(=O)C(=O)Nc1ccc(CCC(C)C)cc1	764299339	GNKYTUXOQYFBIU-UHFFFAOYSA-N	321.377	1.008	50	20	DDGD	
COc1ccc(CC(=O)NN(C)C(=O)OC(C)(C)C)cc1O	868857797	XZZFOTIYITUYDI-UHFFFAOYSA-N	310.350	1.841	50	20	DDGD	
CS/C=C/C(=O)OCC(=O)NNC(=O)Cc1ccccc1C	767647047	CHIDMWXCMNOHLX-BQYQJAHWSA-N	322.386	1.105	50	20	DDGD	
CSc1cccc(NC(=O)C(=O)NNC(=O)c2ccc[nH]2)c1	763980302	PTNLBNUWQNSVIZ-UHFFFAOYSA-N	318.358	1.136	50	20	DDGD	
CCO[C@H](C)c1ncc(C(=O)NNC(=O)c2cc(C)[nH]n2)s1	765587368	JOQFLWZSZJBFMG-MRVPVSSYSA-N	323.378	1.347	50	20	DDGD	
CNC(=O)C[C@H](C)NC(=O)NNc1nc2c(C)cccc2s1	868679460	UYWCLJCVMVADBL-VIFPVBQESA-N	321.406	1.755	50	20	DDGD	
O=C(CCC1(O)CCC1)NNC(=O)COCc1ccccc1	865985209	MYJZLIPMNKHANH-UHFFFAOYSA-N	306.362	1.046	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H](OC)C(C)C)cc1OC	769725982	HNBJHIICSBEBDW-CYBMUJFWSA-N	310.350	1.136	50	20	DDGD	
O=C(/C=C\CN1CCOCC1)NNc1cc(Cl)ccc1F	871271391	NWIPMZUUYDIGEM-UPHRSURJSA-N	313.760	1.811	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@H]1CC12CCC2	768634615	MXEAOHITCWGOSG-SNVBAGLBSA-N	324.402	1.732	50	20	DDGD	
CC(C)C(=O)NNC(=O)CC1CCN(CC(F)(F)F)CC1	873796315	FKRRDYARHGETHN-UHFFFAOYSA-N	309.332	1.454	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1ccc(C2CCC2)cc1	879397629	GRAIJOOLSTWSTB-UHFFFAOYSA-N	321.377	1.770	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cnc(C(F)(F)F)nc1	1116692975	VLSOKUNLCUIYEQ-UHFFFAOYSA-N	307.301	1.013	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@H]2CCCCN2C)c1	874947743	NMPPIMPWMHMWEI-CYBMUJFWSA-N	324.425	1.936	50	20	DDGD	
CS(=O)(=O)c1ccc(OCCN2CC=C(C#N)CC2)cc1	779585497	DFGXMORILONXDS-UHFFFAOYSA-N	306.387	1.625	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)COC(C)(C)C)cn1	874954374	SVJYULDPUOEBAK-UHFFFAOYSA-N	312.395	1.223	50	20	DDGD	
CC(F)(F)CC(=O)NNC(=O)c1cncn1-c1ccccc1	1116779898	UVXVYOSUZXCGDK-UHFFFAOYSA-N	308.288	1.679	50	20	DDGD	
Cc1cc(C(=O)NN=C2CCN(CCC(F)(F)F)CC2)n[nH]1	779776212	FQOBZIBMJUEQBT-UHFFFAOYSA-N	317.315	1.852	50	20	DDGD	
CSCC[C@@H](C)N(C)CC(=O)NNC(=O)c1cccc(C)c1	777617429	KMBVYMWQSCSSDO-CYBMUJFWSA-N	323.462	1.829	50	20	DDGD	
CCC(CC)CC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	772186990	GORUZXIBGWDMQK-NSHDSACASA-N	300.399	1.938	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CO[C@H]1CCCC[C@H]1C	772132283	KPMQRFPPLUQYOH-WOPDTQHZSA-N	314.382	1.071	50	20	DDGD	
CC(=O)N/C(=C/c1ccccc1)C(=O)NNC(=S)NC(C)C	1115816763	CJMSGMAJIKQXCR-UKTHLTGXSA-N	320.418	1.067	50	20	DDGD	
C=CCOc1cccc(NC(=O)NNC(=O)COCCOC)c1	878439441	PNTLLQSIYDSASM-UHFFFAOYSA-N	323.349	1.067	50	20	DDGD	
CSCCNC(=S)NNC(=O)C1(C(F)(F)F)CCC1	1117757276	SCQVHHCBOHEHLD-UHFFFAOYSA-N	315.386	1.577	50	20	DDGD	
COc1ccc(C(=O)NN=CC2CCN(C)CC2)c(OC)c1	872349268	NIXKYJNSOSJSNG-UHFFFAOYSA-N	305.378	1.761	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)[C@H](C)c1cccnc1	772258533	VYHUSGNNPFCAEK-CHWSQXEVSA-N	306.410	1.656	50	20	DDGD	
CCn1c(CNC(=O)NN(C)C(=O)OC)nc2ccccc21	875015979	NYOVNACOJDPRDO-UHFFFAOYSA-N	305.338	1.469	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@H]2CCCN(CC(C)C)C2)cc[nH]1	875402622	GVLCUIBHZXUGRA-OAHLLOKOSA-N	319.453	1.806	50	20	DDGD	
Cc1cc(=NNC(=O)NCc2csc(N(C)C)n2)cc[nH]1	875337424	QNICSOUGJKADHA-UHFFFAOYSA-N	306.395	1.161	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C2(C)CCOCC2)cn1	874954382	SYRXFJAGPHZWMO-UHFFFAOYSA-N	324.406	1.225	50	20	DDGD	
CC(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C2CCC2)c1	771344118	PCPDIIZCUSPRTD-UHFFFAOYSA-N	324.402	1.430	50	20	DDGD	
O=C(C[C@H]1C=CS(=O)(=O)C1)NNc1ccc(F)cc1Cl	885135555	FIHAMGFGAYHFFR-MRVPVSSYSA-N	318.757	1.871	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2ccc(O)c(C(=O)O)c2)cs1	777422586	FYNKCHPZVZIARZ-UHFFFAOYSA-N	319.342	1.548	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cccc(S(=O)(=O)CC)c1	887145819	SORWPRNJGJCTTL-UHFFFAOYSA-N	322.386	1.045	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccc(F)c(F)c2)c(C)n1	885112818	FAKWECGNLBLMEA-UHFFFAOYSA-N	310.304	1.873	50	20	DDGD	
N#C/C(=C/c1ccccc1-n1cncn1)C(=O)N=c1cc[nH]cc1	774555242	NUONGXOCVNLUGO-ZROIWOOFSA-N	316.324	1.630	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@H](C[C@@H]1CCCO1)C(=O)OCC	887273857	CNJZWARNGKAGJR-LZBRBDLSSA-N	310.350	1.047	50	20	DDGD	
Cc1cc(C(=O)NNc2nnc(-c3ccccn3)s2)ncn1	788566968	PFVVVVCYRVVOER-UHFFFAOYSA-N	313.346	1.455	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)[C@@H]1C[C@@H]1c1cccc(F)c1	882677808	CHINUHPHKCLQPZ-ZWKOPEQDSA-N	314.382	1.678	50	20	DDGD	
O=C(CCCOc1cccc(F)c1)NNC(=O)C1CCOCC1	883061867	KBCBAXGUZRIKFK-UHFFFAOYSA-N	324.352	1.559	50	20	DDGD	
CN(C)[C@@H]1CCCC(=NNC(=O)c2cc([N+](=O)[O-])ccc2O)C1	788428683	UCNHHQGJIVVMSG-LLVKDONJSA-N	320.349	1.890	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1c[nH]c2ccccc2c1=O	781835550	DGBDKQWARCRXRD-UHFFFAOYSA-N	315.720	1.728	50	20	DDGD	
CC(C)(C)c1csc(NC(=O)C(=O)NNC(=O)CC2CC2)n1	789733210	IHEPTZCZKMATGI-UHFFFAOYSA-N	324.406	1.327	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@H]1CCCC[C@H]1C(N)=O	781099349	UQAMOUUZZMTBCG-KXUCPTDWSA-N	319.243	1.956	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@]2(C)CCOC2)c1	780829026	PXEVZZUCQRIDEH-OAHLLOKOSA-N	307.350	1.526	50	20	DDGD	
COc1cc(NNC(=O)N[C@@H](C)C[S@@](C)=O)ccc1Cl	789179595	LTDWPCKGCRXURG-FFVOIRBGSA-N	319.814	1.742	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCOC2(CCC2)C1)c1cccc(Cl)n1	898782426	DAGSFRSHCCOJGA-SNVBAGLBSA-N	323.780	1.845	50	20	DDGD	
Cn1ccc2ccc(NC(=O)NNc3cnccn3)cc2c1=O	794387291	YLPCHNRTWGXJOQ-UHFFFAOYSA-N	310.317	1.477	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1cn(C)c2ccccc12	798307295	OBXABUBRBDKQFZ-UHFFFAOYSA-N	302.403	1.402	50	20	DDGD	
CSSCCNC(=O)Cn1cnc2c(C)cccc2c1=O	791094962	JULGEQWGJLJWNC-UHFFFAOYSA-N	323.443	1.832	50	20	DDGD	
Cc1ccoc1C(=O)NNc1ccccc1S(=O)(=O)N(C)C	795169694	TWKSJLKAYAFCKZ-UHFFFAOYSA-N	323.374	1.595	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42	798123844	AVKFPRKTMCADLR-DMCWRTHBSA-N	303.431	1.062	50	20	DDGD	
COc1ccc(NC(=O)NNC(=S)NCC2CCC2)cc1	1318749064	BCCORVLSWBWYEQ-UHFFFAOYSA-N	308.407	1.996	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H](C)C2CCOCC2)cc1	1319158644	WKWMFZBIEYGDPF-LLVKDONJSA-N	321.377	1.454	50	20	DDGD	
CC[C@H]1CCC[C@@H]1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1326416078	AMHBYEHKNNKTFX-QWRGUYRKSA-N	304.394	1.876	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(=O)n(C)c3ccccc23)nc1	1321570689	ONVDSOXGSQQBKO-UHFFFAOYSA-N	324.340	1.699	50	20	DDGD	
COc1cc(OS(=O)(=O)CBr)ccc1C=O	1324404023	PGQHIWKKWSWTSY-UHFFFAOYSA-N	309.137	1.569	50	20	DDGD	
Cn1ccc(CCC(=O)NNC(=O)c2cc3c(s2)CCC3)n1	1325112671	VJRVFNNEMOFOPD-UHFFFAOYSA-N	318.402	1.364	50	20	DDGD	
CN(C)Cc1cc(C(=O)NC[C@@]2(C)C[C@@H]2Br)no1	1331153486	UACRRSKIAIHZMK-CMPLNLGQSA-N	316.199	1.640	50	20	DDGD	
C[C@@H]1CN(C(=O)c2cccc(CCl)c2)CCS(=O)(=O)C1	1337234422	IWVCWNHMWWDXDR-LLVKDONJSA-N	315.822	1.932	50	20	DDGD	
CCN(CC)CC[C@H](C)NC(=O)/C(C#N)=C/c1cnn(C)c1	1347660318	LOSRQWOVTNYVRL-NCPSJORJSA-N	303.410	1.564	50	20	DDGD	
CCOCCOCCNC(=O)NNc1cccc(Cl)n1	1341592589	KCABSDZPBVDWFT-UHFFFAOYSA-N	302.762	1.414	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cnn3c2NCCC3)c1	1351743027	ACLMAMGXKSPNFK-UHFFFAOYSA-N	315.333	1.242	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cnn2c1NC[C@H](C)C2	1350814325	HTRBXIRCVLGAJF-JTQLQIEISA-N	313.361	1.328	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CN(C)CCc1ccccc1	1352186594	XQPCDZZPLBJXPZ-UHFFFAOYSA-N	308.451	1.065	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC1CCN(c2ccncc2)CC1	1523752150	KCVRHNZUFPDNIQ-UHFFFAOYSA-N	319.409	1.427	50	20	DDGD	
Cc1cc(Br)cnc1NNC(=O)[C@H]1C[C@H]1C(=O)O	1600073631	OFEJCKRCDFPZAV-JGVFFNPUSA-N	314.139	1.316	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCN1Cc1cccc(F)c1)C1CC1	1520729421	OVWYUMDWHDXEGP-OAHLLOKOSA-N	319.380	1.738	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1ccc(F)c(C(=O)O)c1	1608477390	IFQJSPWZAZUIRI-UHFFFAOYSA-N	309.297	1.867	50	20	DDGD	
Cc1ccc(CC(=O)NNc2cccc(F)c2C(=O)O)cn1	1600400146	SUUUTNCBPMGDEI-UHFFFAOYSA-N	303.293	1.913	50	20	DDGD	
O=C(Cc1ccon1)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1609537111	QRZVGMXDJBVCDL-UHFFFAOYSA-N	319.712	1.194	50	20	DDGD	
Cc1cc(NC(=O)NNc2nnc(C)n2C)cc(C(=O)O)c1	1600272018	XHXSQJVKPFYWFE-UHFFFAOYSA-N	304.310	1.279	50	20	DDGD	
N#CSCCCNS(=O)(=O)CC1(C(=O)O)CCCCC1	1601079874	URWDEZVWHLFEAT-UHFFFAOYSA-N	320.436	1.545	50	20	DDGD	
C[C@@]1(CNC(=O)[C@@](C)(C#N)CC(=O)O)C[C@@H]1Br	1602780569	IXYQIONOYJHBKH-XROYCOCOSA-N	303.156	1.281	50	20	DDGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCC(O)(C(=O)O)CC1	1601063107	NWMOKFDMWDDCGO-ACAGNQJTSA-N	317.301	1.371	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)C(=O)NNc1ccc(C(=O)O)cn1	1600805849	CHZWGNHQKJXURI-SSDOTTSWSA-N	304.306	1.631	50	20	DDGD	
Cc1oc(C(=O)O)cc1C(=O)NNC(=O)CCc1ccccc1	1608033673	IJAICYZZDONGTO-UHFFFAOYSA-N	316.313	1.680	50	20	DDGD	
CO[C@@](C)(CNC(=O)NNc1cccc(C(=O)O)c1)C1CC1	1610230439	IVTVCOYUMGCKPZ-HNNXBMFYSA-N	307.350	1.826	50	20	DDGD	
C[C@@H]1COCC1=NNC(=O)[C@@H]1CCCO[C@@H]1c1nccn1C	1550191795	HSXGXBFPPOUOIU-WZRBSPASSA-N	306.366	1.026	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=C[C@H]1CCCO[C@@H]1c1ccnn1C	1552763077	PKQWDKWMQWWPHU-OSRDXIQISA-N	320.393	1.415	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@@H]2C=NNC(=O)c2ccc[nH]2)cn1	1552453473	PLTJNEUXHPBUFI-BXUZGUMPSA-N	301.350	1.725	50	20	DDGD	
CCn1cc([C@H]2OCC[C@@H]2C=NNC(=O)c2ccon2)cn1	1553288366	ZFHZWYGCZLHGFV-MFKMUULPSA-N	303.322	1.384	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)c2ccc(CCl)cc2)[C@H](C)CN1	1576814171	ZDBOSCMIRJHSTM-GHMZBOCLSA-N	302.827	1.796	50	20	DDGD	
C=CCCNC(=O)/C(C#N)=C\c1cc(-c2nn[nH]n2)n(C)c1C	1588609393	ODVBXFLLVFRKNC-GHXNOFRVSA-N	311.349	1.113	50	20	DDGD	
N[C@@H]1C[C@H]2C[C@@]2(C(=O)NNc2cccc(Br)n2)C1	1580404896	HQOGRZGZTPZOMY-JOAULVNJSA-N	311.183	1.415	50	20	DDGD	
Cn1c(C(=O)NNc2ccc(Cl)nc2)ccc1-c1nn[nH]n1	1581752043	HDMZCRQJRBUNQR-UHFFFAOYSA-N	318.728	1.011	50	20	DDGD	
Cn1nc(C2CC2)nc1/C(C#N)=C/c1ccc(-c2nn[nH]n2)cc1	1592596701	YROBZYGBDCRLKI-MDWZMJQESA-N	318.344	1.937	50	20	DDGD	
Cc1cccnc1NNC(=O)CNc1ccc(-c2nn[nH]n2)cc1	1592263684	FKBPQDXDSZHKSU-UHFFFAOYSA-N	324.348	1.125	50	20	DDGD	
CCCCOCCNC(=O)NNc1ccc(C(=O)O)cc1F	1595771644	BCJJOLNMXJTOIG-UHFFFAOYSA-N	313.329	1.967	50	20	DDGD	
C[C@]1(CNc2ccc(-c3nn[nH]n3)nn2)C[C@H]1Br	1590135237	JKTJOYGHJPXSII-GMSGAONNSA-N	310.159	1.242	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1ccc(/C=C\C(=O)O)cc1	1776129825	YGCWEVMWXOHEFL-DUSHSTMDSA-N	314.341	1.844	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C/c1cccc2[nH]nc(C(=O)O)c12	1776825494	LSKGRJIIDFFTIR-JXMROGBWSA-N	319.342	1.950	50	20	DDGD	
CC(=NNC(=O)c1ccc(C(=O)O)cc1)c1cc(C)n(C)n1	1776100565	OGJOZJPNZCTWTC-UHFFFAOYSA-N	300.318	1.581	50	20	DDGD	
Cn1cc(C(=O)O)cc1C=NNC(=O)Cc1ccccc1O	1776094502	WSAQPBBIQWIXKC-UHFFFAOYSA-N	301.302	1.122	50	20	DDGD	
Cc1cc(C=NNC(=O)Nc2ccc(C(=O)O)cc2)nn1C	1776045415	IBTKNZDCIBIYDW-UHFFFAOYSA-N	301.306	1.582	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1cnn(-c2ccccc2)c1	17575744	POIMCVJWBLHLGH-UHFFFAOYSA-N	322.324	1.653	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1sc(-c2ccccc2)nc1C	161212712	WRXNKCJNPJXXBM-UHFFFAOYSA-N	318.358	1.224	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(Cn3ccnc3)cc2)[nH]n1	151170724	DXEAGWNNJZHPEG-UHFFFAOYSA-N	324.344	1.038	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCc1ccc(OC)cc1)N(C)C	151445962	LHUIPYBSCCAEMH-CQSZACIVSA-N	307.394	1.115	50	20	DDGD	
C[C@@H](Sc1ccccn1)C(=O)NNC(=O)NCc1ccco1	152191041	STAADYMWUGJZOW-SNVBAGLBSA-N	320.374	1.686	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccnc(-n3ccnc3)c2)cc1	155188439	WJUVIDRPAFTBFX-UHFFFAOYSA-N	304.313	1.896	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccc(-n3ccnc3)nc2)cc1	155208096	YIECCMPKTCREEN-UHFFFAOYSA-N	304.313	1.896	50	20	DDGD	
C[C@H](OC1CCCCCC1)C(=O)NNC(=O)c1cnn(C)c1	156399095	XFVYBSZUQBNMSS-NSHDSACASA-N	308.382	1.309	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCC[C@H]1CN1CCOCC1	154454409	MQPIJKNRYPDONO-ZDUSSCGKSA-N	324.874	1.132	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	154874626	LLKJWSFUOQDTFW-LBPRGKRZSA-N	321.352	1.727	50	20	DDGD	
C#CCOCCC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	159103688	ZJYVXCVMZHCEGL-NSHDSACASA-N	320.414	1.674	50	20	DDGD	
CS(=O)(=O)[C@H]1CCN(C[C@@H](CBr)C2CC2)C1	859295404	UEGCIRGHNJJLLW-MNOVXSKESA-N	310.257	1.526	50	20	DDGD	
C[C@]1(C(=O)NN2C(=O)c3ccccc3C2=O)C[C@H]1Br	907382209	FCINGVMPUPIOGB-RNCFNFMXSA-N	323.146	1.487	50	20	DDGD	
C[C@H](c1nccc(N)n1)N(C)NC(=O)OCc1ccccc1	859386150	FAGAHGRYHZOVOE-LLVKDONJSA-N	301.350	1.893	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CCNC(=O)OC(C)(C)C	8302580	QUHJRWDUXLHCGH-UHFFFAOYSA-N	318.443	1.195	50	20	DDGD	
CN(C)N(C(=O)CCc1ccccc1)[C@H]1CCS(=O)(=O)C1	58585704	YRGYRCYVQXNEON-AWEZNQCLSA-N	310.419	1.112	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cc2c(s1)CCOC2	103217057	CKSUYNFGAUYCOW-UHFFFAOYSA-N	323.296	1.327	50	20	DDGD	
CCNC(=O)c1cccc(CN/C=C(\C#N)C(=O)OCC)c1	55007113	MDCGEUFKLXYOKZ-SDNWHVSQSA-N	301.346	1.496	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccn(-c3ccccc3)n2)n1	174480552	LQTQFIBRQPOHJN-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Cc2ccccc2C)c1O	54163517	OGEIEXPMHJTHNA-UHFFFAOYSA-N	314.341	1.713	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)CN(C)C(C)C	109311747	LAUZAUKBRDQIFB-UHFFFAOYSA-N	307.394	1.115	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1nc(C)cs1	105306436	IHIOXIYODKRIKG-UWVGGRQHSA-N	312.395	1.412	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](C)CN2CCC[C@H](C)C2)nn1	106334969	BPCYOMLGEXOIFE-AAEUAGOBSA-N	306.414	1.532	50	20	DDGD	
CC(C)Sc1ccccc1C(=O)NNC(=O)Cc1cc[nH]n1	106417313	HOIOSSUCMDGJRL-UHFFFAOYSA-N	318.402	1.914	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1	174898356	NECNMHGMBTUPLH-JTQLQIEISA-N	312.414	1.152	50	20	DDGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCC(N)=O)c1C	66317688	NMFZQCHZNKRDCP-RZBIUYHXSA-N	319.361	1.248	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1ncoc1[C@@H]1CCCO1	115711524	ZYLSORHQEKRUGW-NSHDSACASA-N	307.350	1.867	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=S)N[C@@H](C)C1CC1	171168908	UCXPYDCBGCMIPG-JTQLQIEISA-N	307.419	1.532	50	20	DDGD	
CC[C@@H](NC(=O)NNc1nc(C)cc(OC)n1)c1ccncc1	175564940	RQKULAMPUYIGKM-GFCCVEGCSA-N	316.365	1.966	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cc(F)cc2nccnc12	171482453	FBHFCSIEQOWRHP-UHFFFAOYSA-N	304.325	1.966	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNc1ccccc1)N1CCN(C)CC1	114921357	DDZJJXUAGCNPSD-MRXNPFEDSA-N	319.453	1.585	50	20	DDGD	
CC(C)CN1CCC[C@@H]1C(=O)NNC(=O)c1ccccc1F	1353277821	MRBPPDMMZWYFPE-CQSZACIVSA-N	307.369	1.707	50	20	DDGD	
C[C@H]1SCCN(C(=O)NNC(=O)Cc2cccnc2)[C@@H]1C	118480421	IQOZSEBAUPQUKT-GHMZBOCLSA-N	308.407	1.191	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccc3nccn3c2)cc1	170857548	WKRNBTBHDIKIAN-UHFFFAOYSA-N	308.341	1.972	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CC[C@@H]1CC[C@H](C)O1	173235394	GGTPGHCAVLDWQF-RYUDHWBXSA-N	306.362	1.804	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)COc1cccc([N+](=O)[O-])c1	63460971	GLEPNJGQDXPNHQ-UHFFFAOYSA-N	311.294	1.530	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc([S@](C)=O)cc2)n1	180694934	BBNNPNAXOHVRPC-NRFANRHFSA-N	305.359	1.585	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)[C@@H](O)C1CCCCC1	187670089	JXWUZLJCLHNWHD-LBPRGKRZSA-N	317.349	1.516	50	20	DDGD	
CCOC(=O)[C@@H](CC(C)C)NNC(=O)c1cccc(N(C)C)c1	180959593	ARTZJGXHKDEADV-OAHLLOKOSA-N	321.421	1.965	50	20	DDGD	
CC(C)(C)Oc1ccc(CNC(=O)NNc2ncccn2)cn1	183891481	AJDCZLSNTNBVBA-UHFFFAOYSA-N	316.365	1.875	50	20	DDGD	
Cc1ccc(Cl)c(S(=O)(=O)NNC(=O)NCC2CC2)c1	124188633	WBBIDMMFMLWBKL-UHFFFAOYSA-N	317.798	1.551	50	20	DDGD	
Cc1cc(-n2cncn2)ccc1C(=O)NNc1ncc(F)cn1	122608813	XIBFEJMYOFCKRY-UHFFFAOYSA-N	313.296	1.262	50	20	DDGD	
CC1CCN([C@H](C)CNC(=O)NNC(=O)c2ccc[nH]2)CC1	129035012	ORRFQUWZAOOKJV-GFCCVEGCSA-N	307.398	1.079	50	20	DDGD	
CN(CC(=O)NNc1ccncc1)c1ccccc1[N+](=O)[O-]	180475305	NTGZWDXQKOVCTQ-UHFFFAOYSA-N	301.306	1.569	50	20	DDGD	
Cn1cc(C(=O)NNc2cc(Cl)nc(N)n2)c2ccccc21	129070704	AQMOMSIOQFSDMY-UHFFFAOYSA-N	316.752	1.961	50	20	DDGD	
N#Cc1c(F)cccc1C(=O)NNC(=O)NCc1ccco1	189051689	BODALLDCPABBBS-UHFFFAOYSA-N	302.265	1.435	50	20	DDGD	
C[C@H]1CCN(C(=O)NNC(=O)c2ccc(C#N)cc2)C[C@@H]1C	126709695	JHDSGEOBPSHTCC-RYUDHWBXSA-N	300.362	1.891	50	20	DDGD	
Cc1cc(F)ccc1-n1ccc(C(=O)NNc2cccnn2)n1	181139106	XLWJTOCOTIKTKG-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
O=C(CC1CCC2(CC1)OCCO2)NNC(=O)c1ccccc1	191083000	CWSPGAUYTODQFW-UHFFFAOYSA-N	318.373	1.771	50	20	DDGD	
O=C(CCn1ccc2ccccc21)NNC(=O)N1CCOCC1	194902751	DQOJEINEVGOBLP-UHFFFAOYSA-N	316.361	1.104	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1c[nH]c(=O)c2ccccc12	190509932	SRTPOCGCRVHQDJ-UHFFFAOYSA-N	301.346	1.725	50	20	DDGD	
CC(C)N(CCNC(=O)NNC(=O)c1ccccc1O)C(C)C	43064125	UBQGVRILSWVIHO-UHFFFAOYSA-N	322.409	1.455	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1	194724370	PHZUNSOFHRVDEU-BWODNOAJSA-N	311.341	1.179	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)C1[C@@H]2CCC[C@@H]12	130928842	MSOKBSIXOFQNSH-GHMZBOCLSA-N	320.414	1.981	50	20	DDGD	
C[C@@H]1CCC[C@H](NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)[C@@H]1C	249331223	WSWFCOSQEXSOBJ-NMKXLXIOSA-N	317.455	1.192	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NC1CCSCC1	265791376	LIHVTARIXILEBN-UHFFFAOYSA-N	323.418	1.429	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)N[C@@H]2CCSC2)c1	266851199	ZHXOTYFTSHCKPQ-GFCCVEGCSA-N	323.418	1.518	50	20	DDGD	
O=C(NC[C@H](c1ccco1)N1CCCC1)NNC(=O)C1CCC1	264750422	QYZVVNGVYBLFHW-CYBMUJFWSA-N	320.393	1.547	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NNC(=O)C(C)(C)C	264581611	PTYKSTNPHZRADP-UHFFFAOYSA-N	307.354	1.408	50	20	DDGD	
C[C@H]1CC/C(=C\C(=O)NNc2nc(O)c3cnn(C)c3n2)C1	269285868	CKVGQARCTBNMLJ-CYXIBPNKSA-N	302.338	1.258	50	20	DDGD	
CC(C)CONC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	269658927	CCSPYZIDZWOKHU-SNVBAGLBSA-N	313.329	1.511	50	20	DDGD	
CCOC(=O)c1cccc(S(=O)(=O)N2CC=C(C#N)CC2)c1	272809225	NAAAHQWXWWCHFM-UHFFFAOYSA-N	320.370	1.708	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H](C)n2nnnc2C(C)(C)C)n1	272192883	GBFABWNQHJALMS-JTQLQIEISA-N	318.385	1.082	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C[C@](C)(O)C2CC2)c1	270165146	ZXRXDVIOBZHFMY-KRWDZBQOSA-N	320.389	1.381	50	20	DDGD	
O=C(NNC(=O)c1ccnn1-c1ccccc1)NC1CCCC1	279570589	PRRHIIJYTZLMFO-UHFFFAOYSA-N	313.361	1.759	50	20	DDGD	
O=S(=O)(CBr)N1CCOC[C@H]1c1ccccc1	363691929	UMMTXKWNQPDJAT-NSHDSACASA-N	320.208	1.742	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1nnc(-c2ccco2)s1	273489800	NVSSZDINXVZLOA-UHFFFAOYSA-N	307.335	1.751	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1C[C@@H]1c1cc(OC)ccc1OC	276548482	PVWZRLQGMUGLFO-DGCLKSJQSA-N	321.377	1.500	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1ccc(C)cc1C	272325460	JERNIYILHMXQFE-GFCCVEGCSA-N	309.366	1.508	50	20	DDGD	
Cc1onc(-c2cccnc2)c1C(=O)NNC(=O)c1ccncc1	375727875	VJESLCYEGKQZGZ-UHFFFAOYSA-N	323.312	1.515	50	20	DDGD	
CSSCCNC(=O)c1cn(CC2(C)COC2)nn1	284286425	ZCAZDBVOKMGDPF-UHFFFAOYSA-N	302.425	1.056	50	20	DDGD	
CCSc1cc(C(=O)NNC(=O)NCC(F)(F)F)ccn1	281275336	PYGRQEFVHRHFMO-UHFFFAOYSA-N	322.312	1.700	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1C[C@H]1c1cc(OC)ccc1OC	286442822	RVFYRASSGARZSZ-CMPLNLGQSA-N	308.334	1.537	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@@H](C1CC1)C(F)(F)F	289170409	VCZUEZKXDSJRDA-JTQLQIEISA-N	301.268	1.972	50	20	DDGD	
CSSCCNC(=O)N1C[C@@H](C)O[C@@]2(CCOC2)C1	375115148	TWRNBOVBZKCENL-PWSUYJOCSA-N	306.453	1.587	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC(n2ccnn2)CC1	372259470	AGCIINXFCRGLHB-SDNWHVSQSA-N	323.356	1.754	50	20	DDGD	
C[C@@H](Sc1ccccn1)C(=O)NNC(=O)NCC(F)(F)F	281309829	SAQRZPPIQPQMIO-SSDOTTSWSA-N	322.312	1.455	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2cc(F)c(F)c(F)c2)CCC1	281127124	INHPRCBOGULCDR-UHFFFAOYSA-N	322.308	1.514	50	20	DDGD	
CCOC(=O)c1scnc1/C=C(/C#N)C(=O)OCCOC	280007259	IJVYLLMXRBWSBC-TWGQIWQCSA-N	310.331	1.416	50	20	DDGD	
CC(C)n1cnc(C(=O)NNC(=O)COc2ccc(F)cc2)c1	281156330	HTEPEWVNBOPOQC-UHFFFAOYSA-N	320.324	1.443	50	20	DDGD	
COc1nnccc1NC(=O)NNc1nccnc1C1CCC1	288939921	PPYSJBZGQRUEIK-UHFFFAOYSA-N	315.337	1.691	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)Cc2ccncc2)c(C2CC2)n1	282540792	IYPKKWQWWJBKGF-UHFFFAOYSA-N	311.345	1.061	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cccc(NC(=O)NC2CC2)c1	298805691	ZOWQKRFVGBVJBD-UHFFFAOYSA-N	318.377	1.778	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C[C@@H]2CCCCO2)cc1	802061187	SETLYEZIJZTEDS-ZDUSSCGKSA-N	307.350	1.807	50	20	DDGD	
C=C(CBr)COC(=O)COCc1ncc(C)o1	803899383	DOTCKIGLYVERIR-UHFFFAOYSA-N	304.140	1.994	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N=c2cc[nH]cc2)c1[N+](=O)[O-]	802027818	XVTDUQXFJWGTAK-UHFFFAOYSA-N	315.289	1.187	50	20	DDGD	
CC(C)(CCNC(=O)NNC(=O)Cc1cccnc1)C1CC1	296514730	ZQJMWTOVCHQQQK-UHFFFAOYSA-N	304.394	1.781	50	20	DDGD	
O=S(=O)(CCCCCl)NC[C@H](O)Cc1cccc(F)c1	296339515	VIBUBOWFMZZKJZ-CYBMUJFWSA-N	323.817	1.668	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1	298197258	GOPAXLWVARLZQC-MRXNPFEDSA-N	304.346	1.352	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNc3cnccn3)(CC1)CC2	293534239	PRHKFPUFOGWVDP-UHFFFAOYSA-N	304.350	1.433	50	20	DDGD	
CNc1ccc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])cn1	803267441	HKZKLKQCJWSJML-UHFFFAOYSA-N	305.269	1.928	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)NC(C1CC1)C1CC1	804900984	BQBBBUYSCOUOLP-UHFFFAOYSA-N	313.365	1.477	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H]1CCCCN1C(=O)c1ccco1	294073406	HHMIVIRRQFGASI-LBPRGKRZSA-N	319.361	1.222	50	20	DDGD	
CSCCNC(=S)NNC(=O)CCc1scnc1C	298124686	BBEIVBKDKNDMBT-UHFFFAOYSA-N	318.493	1.242	50	20	DDGD	
O=C(NNc1ncccn1)Nc1cccc(C2OCCO2)c1	808858489	GUNNTBDSLCXVJB-UHFFFAOYSA-N	301.306	1.671	50	20	DDGD	
COCCOc1ccc(CNC(=O)NNC(=O)C(C)(C)C)cc1	298700622	VZDBLYMNLKWWSQ-UHFFFAOYSA-N	323.393	1.588	50	20	DDGD	
CCc1cc(NNC(=O)COC(F)F)nc(-c2ccccn2)n1	806838642	IMLODPDZIARBKH-UHFFFAOYSA-N	323.303	1.783	50	20	DDGD	
Cn1nccc1COCC(=O)NN=c1cc[nH]c2ccccc12	806810820	CVAWGDQNIAEFSB-UHFFFAOYSA-N	311.345	1.050	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1c(C)nsc1NC1CC1	292361126	RAQXQXLEDMTRBD-UHFFFAOYSA-N	311.436	1.321	50	20	DDGD	
CCc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1c[nH]nc1C	801884205	NEFCTBJQODTRGG-UONOGXRCSA-N	312.373	1.845	50	20	DDGD	
O=C(NNC(=O)c1cccc(O)n1)Nc1ccc(Cl)cc1	803394425	VEBNKFPIXZKSMS-UHFFFAOYSA-N	306.709	1.907	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cccc(SC)n2)n1	806784709	PDIHJZLIPHIANM-UHFFFAOYSA-N	306.351	1.751	50	20	DDGD	
COCCC(=NNC(=O)N=c1cc[nH]cc1)C1CCOCC1	815003806	LCKQYGDPXFXVNT-UHFFFAOYSA-N	306.366	1.444	50	20	DDGD	
COc1ncc(C=NNC(=O)COc2ccc(C#N)cc2)s1	812223835	ODUBYTYEQXFVGF-UHFFFAOYSA-N	316.342	1.552	50	20	DDGD	
CN(N=C1COc2cc(F)c(Br)cc21)C(N)=O	814890908	GHXLZPDTXHBNFX-UHFFFAOYSA-N	302.103	1.695	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)[C@@H](F)C(F)(F)F	810517519	QDUMITLHEHMGQU-SSDOTTSWSA-N	304.203	1.679	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCC2OCCCO2)cc1	819487108	AOWWEFQAPBFEKE-UVTDQMKNSA-N	316.357	1.871	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2ccc(C#N)cn2)cc1	815584416	COHHYTHKAJLBDH-UHFFFAOYSA-N	311.301	1.044	50	20	DDGD	
O=C(NNC(=O)c1ccccc1OC1CCC1)c1ccnnc1	817693853	OMBNEGXYMRAXIT-UHFFFAOYSA-N	312.329	1.483	50	20	DDGD	
CCNC(=O)NNC(=O)c1c(CC)nc2ccc(Cl)cn12	813424693	UPAVJQUGCLNCGQ-UHFFFAOYSA-N	309.757	1.514	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2cnc(N(C)C)n2C)cc1	811632927	GHCCEZQJXWXICD-UHFFFAOYSA-N	315.377	1.324	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCc2sccc21)c1ccnnc1	817693336	NCDLJKFBKPJQBC-LLVKDONJSA-N	302.359	1.419	50	20	DDGD	
CNC(=O)NCCC(=O)NNc1cc(Cl)nc(Cl)c1	819746994	ITUUYPWEGKCAPJ-UHFFFAOYSA-N	306.153	1.151	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2ccc3ccccc3n2)on1	814682336	KGRIBHBIFXFYQR-UHFFFAOYSA-N	324.296	1.773	50	20	DDGD	
Nc1c(C(=O)NNc2ccccc2F)cnn1-c1ccccn1	815851299	YXXCTAJHCJYRTF-UHFFFAOYSA-N	312.308	1.746	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1ccn(C)n1	813047219	QQUQHDWFYYVHSY-UHFFFAOYSA-N	315.377	1.934	50	20	DDGD	
CO[C@@H]1CCC[C@@H](C(=O)NNc2nc(-c3cccnc3)no2)C1	815546617	QYVQHIXZVWXCAR-ZYHUDNBSSA-N	317.349	1.780	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2ccn(C)n2)cc1C	812723205	IITBBVWITLUGCI-UHFFFAOYSA-N	302.334	1.662	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C)[C@@H](C)c1ccc(F)c(F)c1	827324086	YNAOHJZKKXSSLP-JTQLQIEISA-N	313.348	1.761	50	20	DDGD	
Cc1cnn(C)c1/C=C(\C#N)C(=O)Nc1ccccc1C(=O)O	491107650	WGHSHQXTBUPPSI-YRNVUSSQSA-N	310.313	1.972	50	20	DDGD	
C[C@@H](C(=O)NN(C)[C@H](C)CO)c1ccc(Br)s1	823951734	MODOQIAIRSZILA-HTQZYQBOSA-N	321.240	1.958	50	20	DDGD	
CCc1ccc([C@@H](CNS(=O)(=O)CCl)N(C)C)cc1	829728552	LCWITTCDXDSHLI-CYBMUJFWSA-N	304.843	1.967	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	822192565	RIZDPUHLCIOLLY-XUJVJEKNSA-N	318.373	1.800	50	20	DDGD	
COc1cc(Br)cc(C(=O)NN(C)[C@@H](C)CO)c1	823384450	LAQWPLLEEAQDEA-QMMMGPOBSA-N	317.183	1.415	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(CCO)Cc1cccc(OCC)c1	491107279	UUSHBJNCCBNGHX-FYWRMAATSA-N	318.373	1.850	50	20	DDGD	
CCOc1cc(C(=O)NNC(=O)Cc2ccccc2C)on1	826981990	BUFYVSKJWUJTDQ-UHFFFAOYSA-N	303.318	1.385	50	20	DDGD	
CC(C)(C)N1CC[C@H](NC(=O)NNc2ccc(F)cc2)C1=O	827356698	IMWDWBLXWMECOW-LBPRGKRZSA-N	308.357	1.851	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCCOc3ccccc32)c(F)c1	585019811	HPNKDHXFVUMKIJ-MRXNPFEDSA-N	315.153	1.509	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1ccnc(F)c1	728075051	RGMUDIJRKGJMIQ-UHFFFAOYSA-N	300.253	1.423	50	20	DDGD	
CC(C)(C)OC(=O)N1CC=C(C(=O)NNC(=O)C2CC2)CC1	497223030	RRZYJRQNXULNDY-UHFFFAOYSA-N	309.366	1.111	50	20	DDGD	
CCCc1c(C(=O)N2CC[C@@H](B(O)O)C2)[nH]c(C)c1C(C)=O	585071812	BAAOQOJODHADHN-LLVKDONJSA-N	306.171	1.167	50	20	DDGD	
CCC1(CC)CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1	584975953	GZZNAZYROWCAOU-UHFFFAOYSA-N	307.174	1.548	50	20	DDGD	
N#C/C(=C/c1ccccc1-c1nn[nH]n1)C(=O)NC1CCCC1	826379446	RXBHNCZIWVHTGS-XFXZXTDPSA-N	308.345	1.832	50	20	DDGD	
CCN(CCO)NC(=O)C[C@@H](c1ccccc1)c1ncc[nH]1	823884823	LDYKUVKUWYAJCD-AWEZNQCLSA-N	302.378	1.277	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCOc1ccccc1	822867592	DFSMDYWODDKAOP-KGLIPLIRSA-N	304.346	1.194	50	20	DDGD	
CC1(NC(=O)c2ccc(B(O)O)c(F)c2)CCC(F)(F)CC1	584972842	HYHPJXWNRVXISN-UHFFFAOYSA-N	315.100	1.203	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	825459465	KVFDOPBFMFLGDA-ZDUSSCGKSA-N	315.381	1.184	50	20	DDGD	
Cc1ccc(C2=NO[C@@H](C(=O)NNC(=O)C3CCC3)C2)cc1	900658112	GGPIJKVGCRJGOE-CQSZACIVSA-N	301.346	1.436	50	20	DDGD	
COc1cc(Br)ccc1C(=O)NN(C)C[C@H](C)O	824536170	OWZKEXLRBPYSOH-QMMMGPOBSA-N	317.183	1.415	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC(OC(C)C)CC1	732201521	DWUBWFBTDSSXED-ZDUSSCGKSA-N	313.442	1.458	50	20	DDGD	
O=C(NNC(=O)c1cc[nH]n1)N[C@@H](C1CCCC1)C(F)(F)F	822598394	KZZAIDDYUVDMHU-VIFPVBQESA-N	319.287	1.475	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)c1cccc(-c2nn[nH]n2)c1	823281473	SRAGRGUTDNTVIU-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C)C(=O)O	828906747	LENBYRNPWCHJBZ-PTJCHJMSSA-N	300.318	1.092	50	20	DDGD	
CN(CC(=O)NNc1cc(F)c(F)cc1F)C(=O)C1CC1	734552302	PDIKZTBEMQYGFC-UHFFFAOYSA-N	301.268	1.415	50	20	DDGD	
CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cccc(C)c1C	734296626	XJAHUKWCWVEERT-CYBMUJFWSA-N	323.418	1.514	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc(-n2cncn2)c(F)c1	490549414	HOJBDHLCBHFUPU-SDQBBNPISA-N	315.308	1.076	50	20	DDGD	
CC1(C)CN(CCNC(=O)[C@]2(C)C[C@H]2Br)CCO1	906493642	MRIAPOGSYPVODH-ZWNOBZJWSA-N	319.243	1.387	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc2scnc2c1	831406882	WGOJBHCLSNIYOE-SCZZXKLOSA-N	320.374	1.874	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNc1cc(F)c(F)c(F)c1	839697511	ZYQUJZIVCAEMPB-QMMMGPOBSA-N	303.284	1.695	50	20	DDGD	
C[C@]1(c2ccccc2)C[C@@H]1NC(=O)NNC(=O)[C@H]1CCCCO1	836326920	ZYUTWMNRUPYLSP-JKIFEVAISA-N	317.389	1.616	50	20	DDGD	
O=C(COC[C@@H]1CCCO1)NNc1cc(F)c(F)cc1F	734551849	BZOBHTKJCAYDIV-QMMMGPOBSA-N	304.268	1.743	50	20	DDGD	
CCO[C@@H]1CCCC(=NNC(=O)CNC(=O)c2cccnc2)C1	905454771	PLOXQRUIBITLJX-CQSZACIVSA-N	318.377	1.263	50	20	DDGD	
C#CCCN1CCC(NC(=O)[C@]2(C)C[C@H]2Br)CC1	906775456	SRAOLIBLIPHNOV-TZMCWYRMSA-N	313.239	1.764	50	20	DDGD	
COCCOc1ccc(C(=O)NNC(=O)C2CCCC2)cc1	731971838	PHOQEFOKGDTYNY-UHFFFAOYSA-N	306.362	1.663	50	20	DDGD	
CC(C)N(C(=O)COC(=O)/C(C#N)=C\c1cnn(C)c1)C(C)C	837970052	XIFYUJBYNRAVSJ-NSIKDUERSA-N	318.377	1.516	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C2C[C@H](C)n3ccnc32)c1	834926872	XGTZWPGCEVNBJV-JTQLQIEISA-N	314.345	1.999	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC[C@H]2CCCO2)cc1F	837313256	KFOMBBATALBPSF-SNVBAGLBSA-N	311.313	1.417	50	20	DDGD	
CCCCNC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1cnn(C)c1	837970102	XVFFOWQWDYPODO-HKMIMPICSA-N	304.350	1.175	50	20	DDGD	
Cc1noc(NC(=O)NNC(=O)c2cc3c(s2)CCC3)n1	836492372	AFRWSBQPOQHGCN-UHFFFAOYSA-N	307.335	1.395	50	20	DDGD	
CC(C)n1cc([C@H](C)NC(=O)NNC(=O)CC(F)(F)F)cn1	732892770	ICHPRDBDTWWABC-QMMMGPOBSA-N	321.303	1.808	50	20	DDGD	
CC(C)OC(=O)/C(C#N)=C/c1cnc2ccc(-c3nn[nH]n3)cn12	735892342	GJBJNZKFXKPTDC-VZUCSPMQSA-N	323.316	1.373	50	20	DDGD	
C[C@H](CN(C)C(=O)c1cccc(B(O)O)c1)C1CCCCC1	585011897	ZVFMSFQQPKJZBJ-CYBMUJFWSA-N	303.211	1.655	50	20	DDGD	
Cc1ccc(F)c(CCNS(=O)(=O)CBr)c1	832379515	KLUUBGJCDOUPOF-UHFFFAOYSA-N	310.188	1.948	50	20	DDGD	
Cc1n[nH]cc1CCCNC(=O)[C@@]1(C)C[C@@H]1Br	906103618	RBUMVRLBZOPRHA-JQWIXIFHSA-N	300.200	1.940	50	20	DDGD	
Cc1n[nH]c(C)c1CCNC(=O)[C@@]1(C)C[C@@H]1Br	909287948	LDXBAHMFWGZOHE-JQWIXIFHSA-N	300.200	1.859	50	20	DDGD	
CN(CC(=O)NNc1ccccc1C(=O)O)C(=O)OC(C)(C)C	833691748	HALFLDXIUOXEAK-UHFFFAOYSA-N	323.349	1.695	50	20	DDGD	
COc1cccc([C@H]2C[C@H](NCc3ccc(B(O)O)o3)C2)c1	585044527	LYNIJGHECVWLST-JOCQHMNTSA-N	301.151	1.004	50	20	DDGD	
Cc1csc([C@H](NCc2cccc(B(O)O)c2)C2CC2)n1	585026040	BPRWJNYYQMULPJ-CQSZACIVSA-N	302.208	1.372	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1ccc(C)nn1	839459751	RQZMIIGTMOFEIP-UHFFFAOYSA-N	314.345	1.187	50	20	DDGD	
O=C(CNc1ccccc1F)NN=C1COc2cc(O)ccc21	915937515	RGSWCMHFAAXLTA-UHFFFAOYSA-N	315.304	1.856	50	20	DDGD	
CC(C)[C@@H](C)NC(=O)COC(=O)/C(C#N)=C\c1cnn(C)c1	837969438	NSFAGJXITJMOGW-CGGVXGFASA-N	304.350	1.031	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](CC)C(=O)O)cc1	830063622	FGYVUIHBRSAMNM-UQTJOTSZSA-N	302.330	1.972	50	20	DDGD	
CNC(=O)NC1CCN(C(=O)[C@]2(C)C[C@H]2Br)CC1	910472425	MEZHGZYTPFBXOK-BXKDBHETSA-N	318.215	1.080	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@@H]2C[C@H]3CC[C@H]2O3)c1	836781421	KJRGONDMJIYGEY-IACUBPJLSA-N	304.346	1.874	50	20	DDGD	
CCOc1ccc(C=NNC(=O)[C@H](C)OCCOC)cc1OC	748254155	WAEQRGDVDPQREH-LBPRGKRZSA-N	324.377	1.596	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](COC)C(=O)O)cc1	833663432	JGXOBRFIQKTYAB-ICDLMJIXSA-N	318.329	1.208	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1cccc2cnccc12	744477927	RKJAPJMOYSEFEY-UHFFFAOYSA-N	310.313	1.972	50	20	DDGD	
Cc1nn(C)c2ncc(C=NNC(=O)c3ccccc3O)cc12	747602819	QPNHGOPNGXANEG-UHFFFAOYSA-N	309.329	1.746	50	20	DDGD	
COc1ccccc1C=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1	916346468	CXRJBMPWYAJADR-UHFFFAOYSA-N	314.301	1.950	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccccc1[N+](=O)[O-]	740762381	OEIHVJWMHVKLFJ-UHFFFAOYSA-N	306.322	1.350	50	20	DDGD	
O=C(NN=c1c(=O)c2cccc3cccc1c32)N1CCOCC1	745603229	YENIAANTFPCUOL-UHFFFAOYSA-N	309.325	1.086	50	20	DDGD	
Cc1cc(CC(=O)Nc2cccc(NC(=O)NN(C)C)c2)on1	846036177	YEGCPESRKWDNND-UHFFFAOYSA-N	317.349	1.762	50	20	DDGD	
CCN1CC[C@H](OC(=O)/C(C#N)=C/c2ccc(OC)cc2)C1=O	849633878	PPXZTLQLCFSIQE-VOMSXAGXSA-N	314.341	1.766	50	20	DDGD	
CC(=NNC(=O)C1CC1)c1cccc(N2CCCS2(=O)=O)c1	741159967	HZHXRGXPQQLZKR-UHFFFAOYSA-N	321.402	1.477	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1coc(-c2ccccc2)n1	843651838	PEGCWILMKSBEIX-PWSUYJOCSA-N	315.329	1.528	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=S)NCC(C)C)c1	916113338	IDJHOHGMWIHPRU-UHFFFAOYSA-N	309.435	1.834	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@H](Cc1ccccc1)N(C)C	915901750	ZTNJQRXJNNFRLT-OAHLLOKOSA-N	320.437	1.536	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNC(=O)CCc1ccccc1)C(=O)O	848592805	NRJHGVBBRWUXKE-ZDUSSCGKSA-N	321.377	1.306	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)Cc1cccc(OCC(F)(F)F)c1	910159738	CIVJOPZMWQJTPN-JTQLQIEISA-N	320.311	1.514	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](C)CCOc1ccccc1	744506680	UOZITYOXPFSSKR-NSHDSACASA-N	316.361	1.584	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(NC(=O)CC(C)C)c(C)c1	742053733	RDMMOFVVJDRFIW-UHFFFAOYSA-N	320.393	1.944	50	20	DDGD	
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NN(C)C[C@H](C)O	910162345	FEAWISZMPZLJKQ-JTQLQIEISA-N	322.796	1.792	50	20	DDGD	
O=C(CN1CCSC1=O)NNC(=O)c1cc2ccccc2o1	749467011	DSRNBZLTLMVQMB-UHFFFAOYSA-N	319.342	1.363	50	20	DDGD	
Cc1n[nH]cc1C=NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	741770822	JPZWCZKOAJTIDC-UHFFFAOYSA-N	321.362	1.277	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CN2CCCC2=O)ccc1Cl	913731795	WPZFTLMWCJALGL-UHFFFAOYSA-N	309.753	1.032	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)[C@@H]2CCO[C@H]2C)[nH]c1C	842562833	ZKEIMGGJBZNOHH-CMPLNLGQSA-N	307.350	1.375	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)NCc2ccon2)cc1	747514153	XHWQJYCUDTUUAJ-UHFFFAOYSA-N	318.337	1.277	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cc3ccccc3o2)CCN1	841988374	SILAVNCKYHQALX-JQWIXIFHSA-N	316.361	1.517	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)cc1	846374403	OHBXGCSLVQDAGA-MGPQQGTHSA-N	304.346	1.413	50	20	DDGD	
O=C(NCC(F)(F)F)NN=Cc1cc2c(cc1O)OCO2	920373589	JIAQHWAORWPSMD-UHFFFAOYSA-N	305.212	1.316	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)[C@H]2CCc3nnnn3CC2)c1	845857179	RBEYIRYEFWSTPY-JTQLQIEISA-N	304.329	1.216	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NCCCC(C)(C)C	748634737	XABJXTXCQIXSFV-LLVKDONJSA-N	303.403	1.195	50	20	DDGD	
CC[C@H](CN1CCOCC1)NC(=O)NNc1cccc(C)n1	925614224	VUIRTAYULJDXQO-CYBMUJFWSA-N	307.398	1.127	50	20	DDGD	
CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1cc(C)oc1C	920383421	DTSKYNXOUDCPNV-NSHDSACASA-N	313.379	1.107	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cnc2n1CCCCC2	857144390	KAEIUSLBXSGVGS-UHFFFAOYSA-N	313.361	1.008	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2ccccn2)cc(OC)c1	755375227	RXJWTHNGVQLWLP-UHFFFAOYSA-N	316.317	1.565	50	20	DDGD	
CC(C[C@H]1CCOC1)=NNC(=O)c1cc([N+](=O)[O-])ccc1O	751528883	LASLAIPFJIUDEU-SNVBAGLBSA-N	307.306	1.833	50	20	DDGD	
CN1CC[C@@H](C(=O)NNC(=O)C2CCCC2)c2ccccc21	750720931	SOFANNMGTRAZTJ-CQSZACIVSA-N	301.390	1.948	50	20	DDGD	
CC1CC(C#N)(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)C1	758158922	SNQPCSOHXIGYRY-NOEPWBJOSA-N	319.336	1.680	50	20	DDGD	
CN1CCC(NC(=S)NC[C@@]2(C)C[C@@H]2Br)CC1	857204426	RPJNSCYRNSLVLQ-CMPLNLGQSA-N	320.300	1.718	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=S)N[C@H](C)C2CC2)cc1	855103069	PXRAXYNOYSEWFZ-SECBINFHSA-N	305.403	1.797	50	20	DDGD	
COc1cc(C(=O)NNC(=O)OCC(F)(F)F)ccc1C	856025592	XIZKUGIYPWAMPW-UHFFFAOYSA-N	306.240	1.937	50	20	DDGD	
COCCOC[C@@H](C)NC(=O)NNc1ccc(F)c(F)c1	920487642	GMFMQPDXUVPJQG-SECBINFHSA-N	303.309	1.642	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H]2C[C@H]2OC(C)(C)C)c1O	857012383	HBWBUFXECUAUDP-ZYHUDNBSSA-N	322.361	1.365	50	20	DDGD	
CCC1(C)CCC(=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1	751526859	RKXCMPGARXUTIF-PUODRLBUSA-N	315.439	1.819	50	20	DDGD	
COC[C@@](C)(O)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	754974858	SSRFWPCXRAMPMO-GFCCVEGCSA-N	321.160	1.152	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@H](C(=O)O)C2)C[C@@H]1Br	857100550	JDWYDPJRMDEQQS-HOTUBEGUSA-N	319.199	1.666	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC2CCN(C3CC3)CC2)c1	858119266	GSQMVSPIYHOWGM-UHFFFAOYSA-N	322.434	1.627	50	20	DDGD	
O=C(/C=C\c1ccccc1F)NNC(=O)NCc1ccco1	920856415	GZBMRFCFABSXOK-FPLPWBNLSA-N	303.293	1.963	50	20	DDGD	
Cc1cc(C)c(C(=O)OCC(=O)NNC(=O)c2ccccc2)o1	750398019	DYULBFAQIWVFKZ-UHFFFAOYSA-N	316.313	1.514	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CCOC(C)(C)C2)c1	858318804	SFMIKYBFRYFJSN-SNVBAGLBSA-N	311.407	1.958	50	20	DDGD	
COCCOc1ccccc1C=NNC(=O)Cc1cccnc1	751528763	LDZILNVKWHAHHX-UHFFFAOYSA-N	313.357	1.800	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C[C@H]1CCC[C@@H]1C	854283772	KBJZRQVUKFYFRV-NWDGAFQWSA-N	301.456	1.687	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCNc2ccccc21	850028448	AKEUTNQJDLDQPS-PWSUYJOCSA-N	319.361	1.075	50	20	DDGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)C1(O)CNC1	852799507	HNGFBCYMBIDDNL-UHFFFAOYSA-N	310.568	1.424	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCC(F)(F)C[C@H]2C)n1	858411474	JUZYLYAGJYDQNM-SNVBAGLBSA-N	312.320	1.864	50	20	DDGD	
C[C@@]1(CNC(=O)NCC2=CCNCC2)C[C@H]1Br	857103455	JMSJSOALXLKUJY-PWSUYJOCSA-N	302.216	1.379	50	20	DDGD	
Cc1c[nH]ccc1=NC(=O)NNC(=O)c1ccc2c(c1)OCO2	757807370	FUYXSBBVZVAAOI-UHFFFAOYSA-N	314.301	1.007	50	20	DDGD	
COCC(=O)NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1	761822106	VQYZURKFUPOPIU-UHFFFAOYSA-N	303.274	1.951	50	20	DDGD	
CON(CC(=O)NNC(=O)C(C)C)[C@@H](C)c1csc(C)n1	931546198	ZFPHIDBZLJBFCZ-VIFPVBQESA-N	314.411	1.179	50	20	DDGD	
CCc1cccc2c1N(C(=O)C(=O)NNc1cccc(C)n1)CC2	861959086	XJUJMHWBWJUXLL-UHFFFAOYSA-N	324.384	1.985	50	20	DDGD	
Cc1cccc(C)c1NC(=O)C(=O)NN[C@H](C)C(F)(F)F	862315643	YVARBLOQMUPLAR-SECBINFHSA-N	303.284	1.814	50	20	DDGD	
CC(=NNC(=O)CN(C)C)[C@@H](C)Cc1ccccc1[N+](=O)[O-]	761258343	JKMHLXQFGRJMJQ-NSHDSACASA-N	306.366	1.827	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccnc(N(C)C)n1)c1ccncc1	769122937	MWJNDAVWPVXHPI-NSHDSACASA-N	300.366	1.575	50	20	DDGD	
C[C@@H](NNC(=O)c1cnnn1-c1cccc(F)c1)C(F)(F)F	862316682	FTNKXFNIJAQKKZ-SSDOTTSWSA-N	317.246	1.592	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12	762580431	KZCZAVTYXFOFGU-OPRDCNLKSA-N	317.480	1.743	50	20	DDGD	
N#CSCCCNC(=O)Cc1nnc(-c2ccccc2)o1	868090865	OLCKQCMHXRVYQD-UHFFFAOYSA-N	302.359	2.000	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)N2CCN(C)CC2)cc1Cl	935860057	JAJJIXPQSLKIIS-UHFFFAOYSA-N	324.812	1.179	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)/C=C/CN1CCOCC1	868734792	DABRLMRRHSZNNG-ZZXKWVIFSA-N	309.797	1.980	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@H]2CCSC2)cc1OC	761817000	GWTNEVLTWCFSCN-NSHDSACASA-N	324.402	1.608	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1CCCC(=NNC(=O)c2cn[nH]c2)C1	863152456	UODYZBLBWDRWFN-NSHDSACASA-N	321.381	1.963	50	20	DDGD	
C#CCCN1CCN(C(=O)[C@@H](Br)C(C)(C)C)CC1	767930917	HHTKEONXRZBBGC-GFCCVEGCSA-N	315.255	1.964	50	20	DDGD	
COCCOCC(=O)NNC(=O)C1CC(C)(C)CC(C)(C)C1	869903050	HOMNRTDLFPQWRB-UHFFFAOYSA-N	314.426	1.649	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1cc2cc(C)ccc2o1	869909056	HEGXOHHDYRNAEX-UHFFFAOYSA-N	306.318	1.165	50	20	DDGD	
COc1cccc(C(C)(C)C(=O)NNC(=O)c2ccc[nH]2)c1	864588697	NHIDUATUBBDDGE-UHFFFAOYSA-N	301.346	1.762	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CCOC(C)(C)[C@H]1C	763539193	SPCUAUJGDMFDHE-GFCCVEGCSA-N	305.378	1.849	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(/C=C(/C#N)C(N)=C(C#N)C#N)c1C	863176454	QZQZQDRNGLKGLO-WZUFQYTHSA-N	309.329	1.975	50	20	DDGD	
CCOc1ccc(C=NNC(=O)c2cc(C)[nH]n2)cc1OC	764408524	NOUHPDUUMDXMER-UHFFFAOYSA-N	302.334	1.889	50	20	DDGD	
Cc1ccc(CCC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1Cl	862450580	WTAUJZKTYSVWPD-GFCCVEGCSA-N	323.780	1.007	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H]2C[C@@H]2OCC)c1	865271332	DBGPXIGHGYEUPI-STQMWFEESA-N	303.387	1.411	50	20	DDGD	
O=C(N=c1cc[nH]cc1F)NNC(=O)c1ccc(Cl)cc1O	760002615	SOKANKNSSKNXDJ-UHFFFAOYSA-N	324.699	1.468	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)Cc2cc(C)[nH]n2)cc1OC	767396244	NBXMOBRQFZGNDE-UHFFFAOYSA-N	316.361	1.818	50	20	DDGD	
CC(C)Oc1cncc(S(=O)(=O)NNC(=O)C(C)(C)C)c1	872340066	KRJSSSIOWJUTAF-UHFFFAOYSA-N	315.395	1.224	50	20	DDGD	
O=C(C[C@@H]1CCS(=O)(=O)C1)NNc1cccc2cnccc12	1116736506	UIQTWZYZCKLORX-NSHDSACASA-N	319.386	1.503	50	20	DDGD	
COCCOCC(=O)NN=C(C)CCc1n[nH]c2ccccc12	872401515	YDLQJQLSIWUMIU-UHFFFAOYSA-N	318.377	1.651	50	20	DDGD	
CS(=O)(=O)c1ccc(F)c(C(=O)NCCCSC#N)c1	773588594	PKBSSFDHGBOAHX-UHFFFAOYSA-N	316.379	1.563	50	20	DDGD	
O=C(NNc1c(F)cccc1Cl)c1cnc2[nH]nnc2c1	771674984	UNFGUCNQQMTLOW-UHFFFAOYSA-N	306.688	1.902	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=C(C)c1cn(C)cn1	872329951	ATXFTLJOYGMXEG-UHFFFAOYSA-N	300.362	1.902	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1ccn(-c2ccccc2)n1	775528826	FQXLXRMTDSYGNQ-UHFFFAOYSA-N	321.340	1.954	50	20	DDGD	
C=CCOCCCC(=O)NNC(=S)Nc1ccccc1OC	873769073	KKIKUWCOVNVMNY-UHFFFAOYSA-N	323.418	1.996	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)Nc1cccc2c1OCCO2	878386284	AQLLCBUSVSODOF-UHFFFAOYSA-N	321.333	1.037	50	20	DDGD	
COCCn1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C)c2)cn1	870156557	YNPZYYXGJXVJQH-UHFFFAOYSA-N	305.290	1.965	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)Nc2cccc3cc[nH]c23)n1	773479203	RYBHPCHZRPXOCJ-UHFFFAOYSA-N	324.344	1.657	50	20	DDGD	
O=C(NNc1ccc(F)cn1)C1CCN(c2cnccn2)CC1	874651907	XDETWNVWUBGFDX-UHFFFAOYSA-N	316.340	1.370	50	20	DDGD	
CCC(CC)(CO)C(=O)NNC(=O)c1nc2ccccc2s1	874913636	GIIVKYGJBDPRED-UHFFFAOYSA-N	321.402	1.856	50	20	DDGD	
COc1ccc2nc(NNC(=O)[C@H](C)N(C)C)c(C)cc2c1	778481770	GLWRYTJZUANXOM-NSHDSACASA-N	302.378	1.945	50	20	DDGD	
Cc1ccc([C@H](C)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)o1	772167281	VXHDTMZWHRPQGD-RYUDHWBXSA-N	324.377	1.817	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ccc(O)c([N+](=O)[O-])c1	776169862	QFRYSTDPODRHAS-UHFFFAOYSA-N	319.233	1.361	50	20	DDGD	
CC(=O)NNC(=O)c1cc(COc2cccc(C(C)=O)c2)on1	770860912	NTASBRNQLDIZID-UHFFFAOYSA-N	317.301	1.237	50	20	DDGD	
CC[C@H](CO)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	779775211	AYUUTWDDEDAOMF-MRVPVSSYSA-N	310.741	1.852	50	20	DDGD	
C=C(CBr)n1cc(CC2(O)CCOCC2)nn1	881316679	RWFZPBBVQRBTMZ-UHFFFAOYSA-N	302.172	1.228	50	20	DDGD	
CC1(OCC(=O)NNC(=O)Cn2ccc3ccccc32)CCC1	773051103	SQXJSLOMXCSEFJ-UHFFFAOYSA-N	315.373	1.748	50	20	DDGD	
Nc1ccc(C(=O)NN=C2CCOC3(CCOCC3)C2)cc1	884373311	IYPTYANKQSTZAK-UHFFFAOYSA-N	303.362	1.714	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNC(=O)c1cccc(F)n1	880770551	UDYAWMWLKYWBRY-ISVAXAHUSA-N	317.324	1.071	50	20	DDGD	
Cc1nc(CCCC(=O)NNC(=O)C2CCOCC2)cs1	883064935	UMKIYLBMEJTWKW-UHFFFAOYSA-N	311.407	1.348	50	20	DDGD	
C[C@H](SCc1ccccc1)C(=O)NNC(=O)C1CCOCC1	883062173	SNYFKUBYIOGXLL-LBPRGKRZSA-N	322.430	1.882	50	20	DDGD	
Cc1[nH]c2ccccc2c1C(=O)NNC(=O)C1CCOCC1	883060200	AUMLZIFKAQLBGY-UHFFFAOYSA-N	301.346	1.664	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H](C)c1ccc(F)cc1	1122050313	RBCCOPJOPIKUNJ-NRUUGDAUSA-N	309.341	1.642	50	20	DDGD	
CCNC(=O)NN=Cc1ccc(OCCC(=O)O)c(OC)c1	783834336	VOKLKSVCFNLLOT-UHFFFAOYSA-N	309.322	1.202	50	20	DDGD	
CC[C@H]1C[C@H](CC(=O)NNC(=O)c2cccc(C#N)c2)CCO1	781646845	PPKKCWLURCRHNG-DOMZBBRYSA-N	315.373	1.915	50	20	DDGD	
CC1(C)CC[C@@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)C1	781693980	JHHSDSVGLDXZPN-CYBMUJFWSA-N	318.373	1.817	50	20	DDGD	
CCOC(=O)C1(CC(=O)NNC(=O)c2cccc(C)n2)CCC1	794089078	AXMDQHNKRZDVMQ-UHFFFAOYSA-N	319.361	1.275	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cccc(C(=O)OC)c1OC(C)C	799246478	DEVMGDJKYXRGDT-UHFFFAOYSA-N	323.349	1.823	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H](C)Oc1ccc(C=O)cc1	795587958	PILCKPMZXSVIFV-LLVKDONJSA-N	307.350	1.397	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)Nc2cc(Cl)ccn2)n1	794352021	IGOBUBYUKDCJSR-UHFFFAOYSA-N	314.136	1.909	50	20	DDGD	
COc1ncc(C(=O)NNc2ccc(Cl)c(OC)c2)cn1	790170126	ILESZELDIHWCSO-UHFFFAOYSA-N	308.725	1.904	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCO[C@H](C(C)(C)C)C1	790426891	ORPPKQOOENQUSJ-OLZOCXBDSA-N	313.442	1.315	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1	792376829	YWXFLKPNRFBJIX-UHFFFAOYSA-N	315.289	1.380	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc(-n3ccnc3)cc2)n1	794074341	DRMGJJCGRWAHKR-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
CC[C@H](C)n1ncc(NC(=O)NNC(=O)Cc2cc[nH]n2)c1C	792478029	IHSCOHKHCKHFOT-VIFPVBQESA-N	319.369	1.281	50	20	DDGD	
CSCCONC(=O)NN=c1sc2ccccc2n1C	793249260	OMPHFENFODSZDO-UHFFFAOYSA-N	312.420	1.649	50	20	DDGD	
C[C@H]1CCC[C@@H]1CNC(=O)NNC(=O)c1cccc(C#N)c1	798512894	PPOGEDCYDWAKLZ-SMDDNHRTSA-N	300.362	1.938	50	20	DDGD	
CSCCCN(C)CC(=O)NNC(=O)c1cccc(C#N)c1	799198189	ATAOFWPBWNMOIE-UHFFFAOYSA-N	320.418	1.004	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cn3ccccc3n2)c1Cl	1319220703	UYZFAUPMVBIVOZ-UHFFFAOYSA-N	303.713	1.117	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CCCc1ccccc1)[C@@H]1CCC(=O)N1	1329224850	KAIIZAZMYILVOY-JSGCOSHPSA-N	317.389	1.071	50	20	DDGD	
CCn1cc(C(=O)NNc2ccncn2)c(C(F)(F)F)n1	1329617029	GOOSQNKBFBZXPQ-UHFFFAOYSA-N	300.244	1.469	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2cccnc2Cl)nc1	1326283775	QIUVAOPLOYQZCQ-UHFFFAOYSA-N	316.708	1.083	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCN(C(C)(C)C)CC2)cn1	1327932607	OMOFBCWTOQEVMU-NTEUORMPSA-N	301.394	1.270	50	20	DDGD	
COc1coc(C(=O)NNC(=O)c2ccccc2Cl)cc1=O	1256524933	ZCTISVMVXXXVFR-UHFFFAOYSA-N	322.704	1.377	50	20	DDGD	
Cc1cccc(NNC(=O)NCCCOC2CCOCC2)n1	1330256623	ZFKOPCWRQKSWFJ-UHFFFAOYSA-N	308.382	1.602	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1csc(N2CCCCC2)n1	1332719106	YDVFHDRDWWCYGN-UHFFFAOYSA-N	319.390	1.536	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)NCCCC2CC2)C[C@@H]1Br	1331079676	XPXGITQAPVSCLU-GWCFXTLKSA-N	317.227	1.583	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNc2nncc(N)c2Cl)cc1	1334883712	FZUMXXXWBHDWJW-QPJJXVBHSA-N	319.752	1.877	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2c(F)ccc(O)c2F)cc1	1261169230	LCXVLASJMZLVIR-UHFFFAOYSA-N	322.267	1.754	50	20	DDGD	
O=C(NNC(=O)N1CCCOCC1)c1cccc2cccnc12	1344460565	PTNOLLFXPKRTFU-UHFFFAOYSA-N	314.345	1.312	50	20	DDGD	
NC(=O)c1cnc(C(=O)NNc2ccc(F)cc2)c(Cl)c1	1340972076	GOQALBKRRXPWEE-UHFFFAOYSA-N	308.700	1.730	50	20	DDGD	
C[C@@H]1CN(c2nnnn2C[C@@]2(C)C[C@H]2Br)CCO1	1262471708	TWINUYZVSZLNBF-FXPVBKGRSA-N	316.203	1.072	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2cnn(CCF)c2)nn1	1346505735	PHSDPIXGERFSJZ-UHFFFAOYSA-N	306.345	1.697	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C1CCC[C@@H](C(=O)O)C1	1607346642	IZENHLOLXJFSGM-LLVKDONJSA-N	319.361	1.854	50	20	DDGD	
CC/C(C)=C\C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	1603989141	AODNOEZSHONZGS-DAXSKMNVSA-N	307.745	1.715	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CCc3nc[nH]c3C2)cc1F	1602384631	IZIKUKSHAWLUDP-MRVPVSSYSA-N	318.308	1.495	50	20	DDGD	
CC1(C)OC[C@H](/C=C/C(=O)NNc2ccccc2C(=O)O)O1	1604561845	MDFDHKMFDVRQGO-JARNTUPDSA-N	306.318	1.536	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1c[nH]nc1[C@@H]1CCCO1	1606528378	CPFUDBLETCXJEG-JTQLQIEISA-N	317.305	1.111	50	20	DDGD	
COCC(=O)NN[C@H](C(=O)O)c1ccc(C(F)(F)F)cc1	1606774780	ZCWXEBLWSAVFSX-JTQLQIEISA-N	306.240	1.098	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NNc1cccc(C(=O)O)c1	1600994049	ABEBFTKUSUWXRQ-VXGBXAGGSA-N	300.318	1.365	50	20	DDGD	
CC(=NNC(=O)CCC(C)C)c1cc(-c2nn[nH]n2)ccn1	1602907278	WPLNXONFTYOKTJ-UHFFFAOYSA-N	301.354	1.538	50	20	DDGD	
CCNC(=O)CCCC(=O)NNc1ccc(C(=O)O)cc1OC	1610007885	QORUPQBNLIJQTO-UHFFFAOYSA-N	323.349	1.143	50	20	DDGD	
COc1ccccc1C=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549314169	HPKIQBCMQXQPGI-UKRRQHHQSA-N	303.362	1.009	50	20	DDGD	
O=C(NNC(=O)C(=O)O)N[C@@H](CC1CCCC1)c1ccccc1	1610699073	FJWMRGCMVQXTGP-ZDUSSCGKSA-N	319.361	1.723	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@@H]2C=NNC(=O)c2cnccn2)cn1	1552445984	BUMNECXIMYVNJP-BXUZGUMPSA-N	314.349	1.094	50	20	DDGD	
CCn1nccc1[C@H]1OCCC[C@@H]1C=NNC(=O)C(C)(C)O	1552452297	JQLBDURSQCQGJO-YPMHNXCESA-N	308.382	1.244	50	20	DDGD	
CC[C@@H](C)C[C@H](N)C(=O)NNC(=O)C(C)(C)c1ccccc1	1576984681	ZRRTUUNRLZMTAR-OCCSQVGLSA-N	305.422	1.875	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)CNCC3)cn1	1579959584	SQKDNTMPCMCPPR-NSIKDUERSA-N	307.357	1.611	50	20	DDGD	
CC(C)(C)[C@@H](N)CC(=O)NNC(=O)c1c[nH]c2ccccc12	1575113516	UWOBTIVLBPVUDW-ZDUSSCGKSA-N	302.378	1.692	50	20	DDGD	
CN(N)C(=O)CCc1nc(O)c2c3c(sc2n1)CCCC3	1573877063	AKTWZRNWEALRMP-UHFFFAOYSA-N	306.391	1.540	50	20	DDGD	
NCC[C@@H](NS(=O)(=O)c1ccc(CCl)cc1)C(F)F	1580284745	QPISOQXBDMGCKX-SNVBAGLBSA-N	312.769	1.686	50	20	DDGD	
Cc1c[nH]cc1C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1843493211	XEBKXGOOKVBOAU-LLVKDONJSA-N	313.760	1.675	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)C23CC(F)(C2)C3)C1	1841652151	BACUOPHCVODABC-UHEGKEBESA-N	318.751	1.616	50	20	DDGD	
Cc1nocc1C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1842493738	OZJLAPLNNFISDD-JTQLQIEISA-N	315.732	1.334	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)/C=C/c1cc(C(=O)O)co1)C1CC1	1593190074	LBACSJPDQKSCFK-ZJELKQJVSA-N	323.374	1.285	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2cccc(C(=O)O)c2)c1C	1597932690	RIEMTVOONNQSCV-UHFFFAOYSA-N	302.334	1.975	50	20	DDGD	
COC[C@H](C)CC(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1591372869	KHYVHJBHOIMZCB-MRVPVSSYSA-N	324.772	1.636	50	20	DDGD	
C[C@@H](CC=NNC(=O)CN1CCCc2ccccc21)C(=O)O	1592464554	UUICIBAJGCBECG-LBPRGKRZSA-N	303.362	1.652	50	20	DDGD	
CCCCn1nc(C)c(C=NNC(=O)NCC(=O)O)c1Cl	1595810009	PLBOJBJAUGVDRZ-UHFFFAOYSA-N	315.761	1.363	50	20	DDGD	
O=C(NN=CCC[C@@H]1CCOC1)c1ccc(-c2nn[nH]n2)cc1	1593155545	OXMANVJZUDEYJO-LLVKDONJSA-N	314.349	1.399	50	20	DDGD	
CCCn1cncc1C=NNC(=O)c1cccc(C(=O)O)c1	1776096399	YZLCQZFRWCTKID-UHFFFAOYSA-N	300.318	1.755	50	20	DDGD	
O=C(COc1ccccc1)NNC(=O)Cn1ccc2ccccc21	14775894	IYNJNCNIVGTDFU-UHFFFAOYSA-N	323.352	1.868	50	20	DDGD	
O=C(COc1c(Cl)cccc1Cl)NNC(=O)C1CC1	15793848	GVTQKWPSNBSNHU-UHFFFAOYSA-N	303.145	1.930	50	20	DDGD	
C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)OC(C)(C)C	17398421	PYAODRRTORTANB-JTQLQIEISA-N	305.334	1.881	50	20	DDGD	
CCC(=O)N1CC[C@@H](NC(=O)NNC(=O)c2ccc(C)s2)C1	151598190	LDEOSFKFBUBNFV-SNVBAGLBSA-N	324.406	1.011	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc3c(C)nn(C)c3s2)[nH]n1	153324963	BRUHLBWOVJIHIN-UHFFFAOYSA-N	318.362	1.050	50	20	DDGD	
COc1ccc(NNC(=O)c2cnn(C)c2C)c([N+](=O)[O-])c1	155199111	RCFLZHZVQORUDS-UHFFFAOYSA-N	305.294	1.402	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccncc2)cnn1C1CCCC1	154040442	KQBQTWMVZXNFQK-UHFFFAOYSA-N	313.361	1.776	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2=CCCCC2)cc1C	154353513	DBXDELAOLUMRCE-UHFFFAOYSA-N	315.373	1.890	50	20	DDGD	
Cc1cccc2c1N(C(=O)C(=O)NNC(=O)c1ccccc1)CC2	159453393	WMYPPMMTUOJNLH-UHFFFAOYSA-N	323.352	1.345	50	20	DDGD	
COc1ccnc(NNC(=O)c2cccc(-c3ncn[nH]3)c2)n1	159930862	WLMFQQSNQRYOMU-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
O=S(=O)(CCCCl)N1CC[C@@H](CN2CCCCC2)C1	881941923	QZRLOMFEDPTZRI-ZDUSSCGKSA-N	308.875	1.753	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNC(=O)Cc2ccc(F)cc2)c1	7965043	NARXXCKLUIIOBJ-UHFFFAOYSA-N	303.293	1.360	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)Cc2cc[nH]n2)cc1C	106417836	ZCNMHBYVICDKOX-UHFFFAOYSA-N	316.361	1.186	50	20	DDGD	
CCCc1sc(C(=O)NNC(=O)C(=O)NC2CC2)cc1CC	8393443	KSUUQCZYTJMVOU-UHFFFAOYSA-N	323.418	1.303	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C(C)(C)C)C(=O)N1CCCC[C@H]1C	102455748	HTBFYGODPBBTNX-MNOVXSKESA-N	312.414	1.152	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2cccnc2C)c1	108253038	JMDPRINKECRFOV-UHFFFAOYSA-N	313.357	1.847	50	20	DDGD	
NC(=O)[C@@H]1CN(C(=O)CCCC[C@@H]2CCSS2)CCO1	50857565	OOLFMKAKVBXHJS-MNOVXSKESA-N	318.464	1.413	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C2[C@H]3CCC[C@H]23)c(C)c1	178096680	DMGQXLFKTYPZSA-STQMWFEESA-N	301.390	1.909	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)N1CCOCC1	53919855	UTQWGPPSFJNYHE-UHFFFAOYSA-N	313.741	1.035	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1cc2c(s1)CCOC2	103074918	MTUURLSBRSITIR-UHFFFAOYSA-N	321.358	1.558	50	20	DDGD	
COCC(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1	57394762	PKUHHSCTWFUGJM-LLVKDONJSA-N	302.330	1.401	50	20	DDGD	
Cc1ccc(C(=O)NNc2nc(-c3ccccc3)no2)c(=O)[nH]1	102790259	MDTPWOIJCRVZJP-UHFFFAOYSA-N	311.301	1.490	50	20	DDGD	
CCOc1ccc(CCC(=O)NNC(=O)NCC2CC2)cc1	65191621	QHTPWYAMYHGZAO-UHFFFAOYSA-N	305.378	1.758	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)COc2cc(C)cc(C)c2)co1	119004503	PJMVQOPNHGYLIM-UHFFFAOYSA-N	317.345	1.694	50	20	DDGD	
COc1ccnc(NNC(=O)[C@](C)(O)[C@@H](C)c2ccccc2)n1	174973664	BAZJZHGGORVMNB-MEDUHNTESA-N	316.361	1.483	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(CCN(C)C)Cc1cccc(O)c1	179420695	SZQKEPBICGTXNG-FYWRMAATSA-N	317.389	1.726	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1ccc2[nH]cnc2c1	66928462	PEHRNMCRJAFCMT-UHFFFAOYSA-N	312.304	1.706	50	20	DDGD	
Cc1[nH]ccc1C(=O)NNC(=O)c1cccc(OC(F)F)c1	176229211	LMXDUHYQCJOYDW-UHFFFAOYSA-N	309.272	1.999	50	20	DDGD	
Cc1ccc(Cl)c(O[C@H](C)C(=O)NNC(=O)NC2CC2)c1	68394536	ULWMQFHETVPWID-SECBINFHSA-N	311.769	1.909	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)c1cc(Cl)cc(Cl)c1	61544238	NNHAQHSKCLONTA-UHFFFAOYSA-N	318.160	1.279	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc(=O)n(-c2ccccc2)n1	24661347	YUHYMBJPWUJHFY-UHFFFAOYSA-N	314.345	1.040	50	20	DDGD	
CCCN(CC)CCNC(=O)NNC(=O)Cc1ccccc1F	175776622	QBVATSCCDLWVGC-UHFFFAOYSA-N	324.400	1.431	50	20	DDGD	
CC(C)(C)CCCC(=O)NNC(=O)CNC(=O)c1cccnc1	122335077	VYFOGULMJMDNRR-UHFFFAOYSA-N	320.393	1.175	50	20	DDGD	
COCCCCC(=O)NNC(=O)Cc1c[nH]c2ccccc12	122141463	KFKNQYYQBHJOTF-UHFFFAOYSA-N	303.362	1.675	50	20	DDGD	
CC[C@@H](C)[C@H](C)NCC(=O)NNC(=O)Cc1nc(C)cs1	183040558	XJZOWPSQEYYOFZ-KOLCDFICSA-N	312.439	1.166	50	20	DDGD	
C#Cc1cccc(NC(=O)C(=O)NNc2cncc(Cl)n2)c1	128316338	CFTYTOYJPYVTBG-UHFFFAOYSA-N	315.720	1.193	50	20	DDGD	
CCCCn1cc(C(=O)NNC(=O)c2cccn2C)c(C)n1	183991466	YVCWJTPYGOFXFP-UHFFFAOYSA-N	303.366	1.405	50	20	DDGD	
Cc1cc(NNC(=O)c2cccc(C[S@](C)=O)c2)nc(C)n1	129078126	HHZXSTAOOQQPIO-JOCHJYFZSA-N	318.402	1.729	50	20	DDGD	
CN1C[C@@H](C(=O)NNc2cc(C(F)(F)F)ccc2F)CC1=O	128975847	VNHRPUAODGYWGO-ZETCQYMHSA-N	319.258	1.766	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1	70805857	MMWXYCKBHFUHOB-KFWWJZLASA-N	318.373	1.343	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](C)C2CCOCC2)s1	134694042	PQNOEAAWQRKPQD-JTQLQIEISA-N	311.407	1.816	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H](C(=O)NNc1ccnc(F)c1)C2	182503426	MNSUINQIHORZEG-NSHDSACASA-N	317.320	1.924	50	20	DDGD	
CCCCCNC(=O)NNC(=O)[C@H]1COc2ccccc2O1	42845108	FUFSZEZIQQDZNX-CYBMUJFWSA-N	307.350	1.347	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccccc1	43933192	CNCQQHJVACAXNZ-JTQLQIEISA-N	307.350	1.361	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)C[C@H]2CCCCO2)c1	87003973	NKEGTRPTZZAGQP-CQSZACIVSA-N	305.378	1.473	50	20	DDGD	
CCc1cc(NNC(=O)C[C@H](C)OC)nc(-c2ccccn2)n1	131278325	AMNPSPIDUKFZBE-NSHDSACASA-N	315.377	1.969	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)NC2CCCCC2)cn1	193324140	IRNUZMDSBPZPBB-UHFFFAOYSA-N	305.382	1.424	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)c2c(C)n[nH]c2C)s1	131568226	DWSCWGWXHMHJJV-MRVPVSSYSA-N	306.391	1.961	50	20	DDGD	
CCCc1cnc(NC(=O)C(=O)NNC(=O)[C@@H](C)CC)s1	190717998	YHAOSELEYXFJLM-QMMMGPOBSA-N	312.395	1.228	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)COc1ccc2ccc(=O)oc2c1	80085109	VDCQOWWXDNETEC-UHFFFAOYSA-N	318.329	1.365	50	20	DDGD	
N#Cc1ccc(CNC(=O)NNC(=O)Cc2ccncc2)cc1	83181922	HVVBTMMLLFQKDA-UHFFFAOYSA-N	309.329	1.026	50	20	DDGD	
O=C(CCSCc1ccccn1)NNC(=O)c1ccncc1	193461971	WICVMRSZSZLXAL-UHFFFAOYSA-N	316.386	1.561	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1Cc1ccccc1)c1ccc[nH]1	98092913	HQWCSMYPWXWQHU-OAHLLOKOSA-N	312.373	1.440	50	20	DDGD	
Cc1nnsc1C(=O)NN=c1sc2ccccc2n1C	255377775	WLBAPNZSJHIMHN-UHFFFAOYSA-N	305.388	1.645	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Cc2ccc(C(C)(C)C)cc2)cn1	269045424	UYQJOYLZBQXDNK-UHFFFAOYSA-N	314.389	1.721	50	20	DDGD	
CO[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccccc1C	266576027	LFCGPEQZWDKBML-ZIAGYGMSSA-N	305.378	1.897	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C[C@H]2COC(=O)C2)cc1C	268843957	RGINAOFHFXLAKV-LLVKDONJSA-N	321.402	1.574	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)[C@H]1CSCCS1	267489903	WGLROUUDQHHVSF-SECBINFHSA-N	323.403	1.423	50	20	DDGD	
CC[C@H](C)[C@H](O)CNC(=O)c1c(C)nn(CCCl)c1C	268564020	GOAQOQCLOHAAEG-JOYOIKCWSA-N	301.818	1.876	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ccc(F)cc2F)CCCC1	269602569	ZCEDYBRUMMJTBM-UHFFFAOYSA-N	318.345	1.765	50	20	DDGD	
CCC(CC)CNC(=O)NNC(=O)COc1ccc(OC)cc1	265781220	VGSDZJHEELOHQH-UHFFFAOYSA-N	323.393	1.841	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2ccc(Cl)nc2)CN1C1CC1	267873688	MISZWDHNWRRZIC-KOLCDFICSA-N	309.801	1.986	50	20	DDGD	
COCCC(=O)NNC(=O)c1sc(-c2ccccc2)nc1C	263928604	SQIQMBWIBVMVOY-UHFFFAOYSA-N	319.386	1.916	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)CBr)c2ccccc2O1	272819228	OSAKJYZQVUKQOH-QMMMGPOBSA-N	306.181	1.956	50	20	DDGD	
CC1(C)CCN(C(=O)NNC(=O)Cc2cccnc2)CCS1	278869019	BOOKMEMBXMQGRL-UHFFFAOYSA-N	322.434	1.582	50	20	DDGD	
CCN1CCC(NC(=O)NNc2cccc(C(=O)OC)c2)CC1	272552163	FIEGLBNJOSOTFN-UHFFFAOYSA-N	320.393	1.584	50	20	DDGD	
CC(=O)N1c2ccccc2C[C@H]1C(=O)NNc1ccnc(F)c1	367980780	FTKQVVGBPFDUKZ-AWEZNQCLSA-N	314.320	1.642	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@H]1CCc2[nH]ncc2C1	270234240	RBYFYINTIDALLN-NSHDSACASA-N	316.336	1.044	50	20	DDGD	
C=C(CBr)CN1CCSC[C@@H]1CC(=O)OC	279760160	RINFYWYUJJDTFP-JTQLQIEISA-N	308.241	1.918	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cccn1C(C)C	271028843	PBSKZBHMQBDJHZ-UHFFFAOYSA-N	308.382	1.135	50	20	DDGD	
N#C/C(=C\c1ccc([N+](=O)[O-])s1)C(=O)NC[C@H]1CCCO1	272761546	QASJVWTZCUKIJG-OLKPEBQYSA-N	307.331	1.858	50	20	DDGD	
COc1ccc(CNS(=O)(=O)CBr)cc1O	272831233	RBDUAAPSHOMPOH-UHFFFAOYSA-N	310.169	1.173	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)[C@H]1CCCCS1(=O)=O	275091721	UTNUDSRMXWEYFF-GFCCVEGCSA-N	300.355	1.545	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@H]1CC[C@H](C(N)=O)O1	281224463	OOISWJSKVWAHBI-CHWSQXEVSA-N	314.345	1.019	50	20	DDGD	
CC1(C)[C@H](NC(=O)NNC(=O)c2ccc[nH]2)[C@H]2CCCO[C@H]21	371099873	NIAOSYBPUQIYNF-YUSALJHKSA-N	306.366	1.162	50	20	DDGD	
C[S@](=O)C1(CNC(=O)NNc2ccc(Cl)nn2)CCC1	281467635	GXQDGLQNYRXUGA-FQEVSTJZSA-N	317.802	1.057	50	20	DDGD	
N[C@@H](C(=O)NNc1ccccc1C(F)(F)F)C1CCOCC1	282283798	JWKQSRZYOXAPIK-GFCCVEGCSA-N	317.311	1.902	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc(C)n[nH]2)c(C)c1OC	288599700	YMZXHVJKOKJXMI-UHFFFAOYSA-N	318.333	1.119	50	20	DDGD	
CO[C@H]1CCN(C(=O)NNC(=O)c2ccccc2C)[C@@H](C)C1	282224128	FDKIGMNBWRKDIG-STQMWFEESA-N	305.378	1.849	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)[C@](C)(O)C1CC1	288273549	HAMXGIVTXZAKDV-OAHLLOKOSA-N	324.402	1.096	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NNc1ccc([N+](=O)[O-])cc1C	288899852	ZUCOQYAALPWZLK-LLVKDONJSA-N	309.326	1.183	50	20	DDGD	
O=C(CSCc1cscn1)NNC(=O)N=c1cc[nH]cc1	802033029	YJJFKOHNAFAGIW-UHFFFAOYSA-N	323.403	1.046	50	20	DDGD	
CCOC1(C(=O)NNC(=O)c2ccccc2C)CCOCC1	803650244	CNQOFJJSWKGJFR-UHFFFAOYSA-N	306.362	1.342	50	20	DDGD	
CCn1ccnc1C(=O)NNc1ccc(C(F)(F)F)nn1	291828702	BOLAIZGDCRSBER-UHFFFAOYSA-N	300.244	1.469	50	20	DDGD	
Cc1ccc2ncc(C(=O)NNC(=O)[C@@H]3CCCO3)c(O)c2c1	294690808	QDJUOZXGAKJZGF-ZDUSSCGKSA-N	315.329	1.189	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)NNc1nnc[nH]1	298087240	AUGXIGGCOJYJBH-JTQLQIEISA-N	324.385	1.428	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1ocnc1C1CC1	808681640	FZWTVPQIWKUPDQ-SECBINFHSA-N	323.349	1.291	50	20	DDGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2cn(C)nn2)c1C	809679793	KZUNNGBBQUJCPQ-UHFFFAOYSA-N	324.348	1.041	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)C(C)(F)F)cc1	294743142	PJZIYJMPULCJGR-UHFFFAOYSA-N	307.322	1.035	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)NCc1cccnc1	804031131	SLIQWZJSNKXWHB-UHFFFAOYSA-N	318.308	1.130	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2cc(F)c(F)cc2F)O1	293063106	ZAHWRZGXVPEPSD-KGFZYKRKSA-N	317.267	1.824	50	20	DDGD	
Cn1cncc1CCC(=O)NNc1ccc2c(=O)[nH]ccc2c1	803436812	CIQGODLDMBKCNT-UHFFFAOYSA-N	311.345	1.338	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CC2)c(C)n1-c1nccs1	298638538	CHAJQUVRIOEZCR-UHFFFAOYSA-N	304.375	1.722	50	20	DDGD	
O=C(CCn1cnc2ccccc21)NNC(=O)[C@@H]1CCCCO1	295321678	GPHLLMOBQIAQRG-AWEZNQCLSA-N	316.361	1.143	50	20	DDGD	
CC(=O)NNC(=O)c1c(O)cnc2c(Br)cccc12	809960117	UZOAUJPWIJDRLO-UHFFFAOYSA-N	324.134	1.484	50	20	DDGD	
O=C(NC[C@@H]1COC2(CCCCCC2)O1)NNc1ccncn1	296583132	HZFCAXHEUFEQQS-GFCCVEGCSA-N	321.381	1.569	50	20	DDGD	
COCCCCC(=O)NNC(=O)c1ccc2c(c1)OCCO2	299340566	PZAAADPBCCGXKM-UHFFFAOYSA-N	308.334	1.036	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CCc2ncc[nH]2)c1C	806375553	MEEDUVVACUDUOU-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
N#Cc1ccc(CNC(=O)NNC(=O)c2ccc[nH]2)cc1Cl	802445229	LQFLRBXBWKXXOX-UHFFFAOYSA-N	317.736	1.684	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)C1(F)CCCCC1	811455840	WLYLOXMCCIUNIM-UHFFFAOYSA-N	304.329	1.778	50	20	DDGD	
Cc1cc(CC(=O)NN=C2COc3c(Cl)cccc32)n[nH]1	814786880	GIGPFTARBCXVMV-UHFFFAOYSA-N	304.737	1.827	50	20	DDGD	
COc1cc(C=NNC(=O)Cc2cc[nH]n2)cc(Cl)c1OC	814953911	QNMUYNQVILSXKU-UHFFFAOYSA-N	322.752	1.773	50	20	DDGD	
Cc1cc(O)cc2c1C(=O)C(=NNC(=O)N=c1cc[nH]cc1)O2	815002682	MMBOHUGKMIIMJW-UHFFFAOYSA-N	312.285	1.228	50	20	DDGD	
CC(=NNC(=O)c1nnc(-c2ccccc2)o1)c1ccc(N)nc1	814816201	PCTQJEHFOUHXST-UHFFFAOYSA-N	322.328	1.868	50	20	DDGD	
CC1(C)CN(C(=O)[C@H](Br)C(C)(C)C)C[C@H](CO)O1	817626566	BGEIDEBUGUFLFP-ZJUUUORDSA-N	322.243	1.794	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CCc3nc[nH]c3C2)cc(C#N)n1C	819968008	QAQOADJOOHLTQF-ACAGNQJTSA-N	320.356	1.420	50	20	DDGD	
Cc1nc(N)c2c(C)c(C(=O)NNC(=O)CC3CC3)sc2n1	819140437	JGNQCSSMTAYRBO-UHFFFAOYSA-N	319.390	1.451	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CCN2CCCC2=O)ccc1C	816689439	ISFOKQGLWZUDBZ-UHFFFAOYSA-N	319.361	1.237	50	20	DDGD	
CSSCCNC(=O)N1C[C@H](C)S(=O)(=O)[C@H](C)C1	811916031	NHDSPBYUYJLCFO-DTORHVGOSA-N	312.482	1.215	50	20	DDGD	
CN1C[C@@H](N(C)C(=O)[C@@H](Br)C(C)(C)C)CCC1=O	820395929	HEHQFMXRPWDZFY-GXSJLCMTSA-N	319.243	1.875	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)Cc1ccccc1Br	823959289	FMEIDAWHYQTQMF-VIFPVBQESA-N	301.184	1.335	50	20	DDGD	
COC(=O)NNC(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1	495325927	CRXHMDUNSFOGBL-UHFFFAOYSA-N	321.362	1.259	50	20	DDGD	
CC[C@@H]1CN(CC)CCN1C(=O)/C(C#N)=C\c1cnn(C)c1	490979399	YMFXUESLSDALKY-CKNOQMABSA-N	301.394	1.270	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)/C=C\c1nc2ccccc2s1	492005249	CYCRWOUXURTREW-FPLPWBNLSA-N	305.359	1.228	50	20	DDGD	
COc1cc(C(=O)NN(C)[C@@H](C)CO)cc(OC)c1C(C)C	823936030	YNJGKQSBLSAPEE-NSHDSACASA-N	310.394	1.785	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNC(=O)c1ccccc1C)C(C)(C)C	822216847	CLATXOKAKKTICJ-CYBMUJFWSA-N	305.378	1.307	50	20	DDGD	
COC(=O)NCCNC(=O)NNc1cc(F)c(F)cc1F	496611163	WJLPOCWLKUVENZ-UHFFFAOYSA-N	306.244	1.086	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](c2ccccc2)N(C)C)nc(N)n1	828367396	NKLVGGJWXIBUMZ-ZDUSSCGKSA-N	300.366	1.113	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)c2cccc(C#N)c2)CCO1	728953038	ADMODVQDAJTZSV-ZDUSSCGKSA-N	302.334	1.023	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2ncccc2O)cc1	725890242	MNZQSFWSZSOODS-UHFFFAOYSA-N	315.329	1.190	50	20	DDGD	
O=C(CC1CCCC1)NN=Cc1ccc(-c2nn[nH]n2)s1	822941305	UGEKMUSOQDFRET-UHFFFAOYSA-N	304.379	1.959	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCCCCC(N)=O)cc1	490811270	DXHGGHVTDROADB-SDNWHVSQSA-N	315.373	1.764	50	20	DDGD	
O=C(/C=C\c1ccc[nH]1)NNC(=O)c1cccc([N+](=O)[O-])c1	491992639	VDAVLCUGTRFYFU-SREVYHEPSA-N	300.274	1.397	50	20	DDGD	
C[C@H]1CCc2c(F)cccc2[C@@H]1NCc1ccc(B(O)O)o1	585027265	YZGYOPPSWDWJTL-MGPLVRAMSA-N	303.142	1.512	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(F)c(OC)cc1OC	494571574	GKOVNLUJGABSGA-UHFFFAOYSA-N	301.274	1.626	50	20	DDGD	
OB(O)[C@H]1CCN(Cc2c(Cl)cccc2N2CCCC2)C1	585076254	MGKSGBQJIFWWMD-LBPRGKRZSA-N	308.618	1.989	50	20	DDGD	
O=C(CN1CSCCSC1)NNc1cccc(F)n1	908171264	ODJYJUFHZNJUSP-UHFFFAOYSA-N	302.400	1.361	50	20	DDGD	
CCN(CCO)NC(=O)[C@H](C)Oc1ccc(F)cc1Cl	823860418	RMPUVDMXCXQEEB-VIFPVBQESA-N	304.749	1.592	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(Oc2ccccc2)cn1	823884841	LYNBMORLDXSTER-UHFFFAOYSA-N	301.346	1.833	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C(C)c1ncc[nH]1	496628306	VCFBDORJIDRSQY-NSHDSACASA-N	319.365	1.167	50	20	DDGD	
CC[C@H](CC(C)C)C(=O)NNC(=O)CNC(=O)c1ccco1	825581611	MJNSIJXMSJWTNR-LLVKDONJSA-N	309.366	1.229	50	20	DDGD	
OB(O)c1cccc(CNCCCCCN2CCCCC2)c1	585022124	SXSNLNPRZYNLFS-UHFFFAOYSA-N	304.243	1.112	50	20	DDGD	
CC(=NNC(=O)c1ccc(CO)o1)c1ccnn1CC1CCC1	901270313	WOKRLUNPPIVWJA-UHFFFAOYSA-N	316.361	1.923	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H](CO)CC(F)F)cc(C#N)n1C	491008848	JCVFDBPEAHNOTQ-NDZKXSSTSA-N	322.315	1.244	50	20	DDGD	
COC[C@H](NCc1ccccc1B(O)O)c1ccc(F)c(F)c1	585035921	ZWEDFVYORKHSNC-INIZCTEOSA-N	321.132	1.122	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC[C@H](CC(N)=O)C1	491108272	XQXWKWMDALZHAO-HRYODUOUSA-N	313.357	1.413	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H]1CCc2cc(OC)ccc2C1	909992879	HZCGMCTTXMVSGY-LBPRGKRZSA-N	307.419	1.267	50	20	DDGD	
CSc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	831161385	XREUXJKDNHVOQB-BXKDBHETSA-N	309.391	1.986	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C2CCn3ccnc32)c1	834926483	OFVUBSHSEGJPDL-UHFFFAOYSA-N	300.318	1.438	50	20	DDGD	
C[C@H](Oc1cccnc1)C(=O)NNc1cccc(C(=O)O)c1	833541228	AHBZIVAJLWFTMR-JTQLQIEISA-N	301.302	1.690	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(C(=O)OC)cc1N(C)C	496789878	HXKUCEHOXFJIOU-UHFFFAOYSA-N	324.337	1.322	50	20	DDGD	
CN(C)C1(CNC(=O)NNC(=O)C2CCC2)CCCCCC1	732238881	PFOHAPNHBVHCEJ-UHFFFAOYSA-N	310.442	1.772	50	20	DDGD	
CN(C)[C@H](CNCc1ccc(B(O)O)o1)c1ccccc1Cl	585013964	DQHZCCFBBSCZDT-CQSZACIVSA-N	322.601	1.005	50	20	DDGD	
CC(CS(=O)(=O)c1ccccc1)=NNC(=O)CC(F)(F)F	735406682	LPBLSMCYFPJGDF-UHFFFAOYSA-N	322.308	1.905	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=O)Nc2ccccc2)C1	908049569	IIHQTPXHPBOTDD-GWCFXTLKSA-N	313.361	1.929	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@H](C)CC(=O)O)c1	832935158	ADVSXQUMUFWPDU-MRVPVSSYSA-N	313.354	1.563	50	20	DDGD	
COc1ccccc1C(=O)NNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2	731489878	GXTNIGOLMADRQQ-GVXVVHGQSA-N	319.430	1.993	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@]2(C)CC(C)=NO2)c(OC)c1	903167984	REVTYXXLTKIYSH-OAHLLOKOSA-N	321.333	1.020	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2	838527349	PQRAZIOQQXRIBY-YUSALJHKSA-N	324.331	1.944	50	20	DDGD	
CC(C)[C@@H](CC(F)(F)F)NCc1ccc(B(O)O)cc1F	585037188	UEYAQFZPALJRFT-GFCCVEGCSA-N	307.096	1.572	50	20	DDGD	
Cc1nn(CCC(=O)O)c(C)c1C=NNC(=O)c1cccnc1	738922056	DEGYBOYUAAFXNE-UHFFFAOYSA-N	315.333	1.134	50	20	DDGD	
CCCCc1ccc(N(C)C(=O)c2ccc(B(O)O)cc2)cc1	584958134	VKTIKSJXPXXOFL-UHFFFAOYSA-N	311.190	1.986	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNC(=O)Cc2ccccc2F)C1	838748128	ANRQUAAJABAYNR-TXEJJXNPSA-N	309.341	1.266	50	20	DDGD	
Cn1cc(/C=C\C(=O)NNc2nc(-c3ccccc3)no2)cn1	732112646	FSVPKXVPCNCXRK-FPLPWBNLSA-N	310.317	1.627	50	20	DDGD	
CC(C)OC(=O)CCNC(=O)NNc1cccc(C(=O)O)c1	833502715	RUSOJSSTGOYAIJ-UHFFFAOYSA-N	309.322	1.353	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CC[C@H](B(O)O)C1	585066288	MSANIBYEXPWOAZ-IUCAKERBSA-N	315.537	1.322	50	20	DDGD	
CCCCc1nc(COC(=O)/C(C#N)=C/c2cnn(C)c2)no1	837970476	DDNGSKKRHMIOBN-WUXMJOGZSA-N	315.333	1.796	50	20	DDGD	
NS(=O)(=O)c1ccc(CC(=O)NNc2ccc(F)cc2)cc1	731473196	JVFHQWBCSLASHB-UHFFFAOYSA-N	323.349	1.159	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCC1(CC)COC1)c1ccccc1	836633234	DBBOLXQFUIYQBS-AWEZNQCLSA-N	319.405	1.937	50	20	DDGD	
C[C@H]1C[C@@H]1c1ccc(-c2nc(-c3ccc(B(O)O)cc3)no2)o1	585050583	DGHSYOFDZAEQEA-CABZTGNLSA-N	310.118	1.800	50	20	DDGD	
C[C@H]1Cc2ncn(CC(=O)NNC(=O)C(C)(C)C)c2C[C@@H]1C	830918602	GEYUUEOTRLXHTN-QWRGUYRKSA-N	306.410	1.447	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2CCC(O)CC2)c1F	837061867	UNTSQBDPFAVZSA-UHFFFAOYSA-N	310.325	1.607	50	20	DDGD	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NN(C)C[C@H](C)O	910174209	SIRSQOLMORPVDK-LXTVHRRPSA-N	300.443	1.808	50	20	DDGD	
O=C(NCC(Cl)Cl)[C@H]1CCCN1Cc1ccccn1	837648350	GRCRHFAMPRUKNL-LLVKDONJSA-N	302.205	1.966	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCCCO2)c2n[nH]cc2c1	833250564	IWWSAFAORVBQBA-GFCCVEGCSA-N	302.334	1.201	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H](C)Oc1ccc2c(c1)CCC2	745139817	UVOSZUOWNBAAKT-NSHDSACASA-N	305.378	1.681	50	20	DDGD	
O=C(CNC(=O)N1CCCC1)NNc1ccc(F)c(Cl)c1	913163306	JLNHIYXVCPHDEP-UHFFFAOYSA-N	314.748	1.728	50	20	DDGD	
CC[C@@]1(C(=O)NNc2ncc(Br)cn2)CCCN1	848436520	UNGJSCUSXBTQBS-NSHDSACASA-N	314.187	1.214	50	20	DDGD	
CC(C[C@@H]1CCCC(=O)N1)=NNC(=O)CNc1ccccc1	841602413	FZGACNUTQQGWRB-AWEZNQCLSA-N	302.378	1.649	50	20	DDGD	
CC(C)(C)CC(=O)N1CCC(=NNC(=O)c2ncccn2)CC1	841663040	RLBRJOULCNQRDM-UHFFFAOYSA-N	317.393	1.621	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCC[C@H]2CCCN2)c1	842003881	HGVCZVXSVWCPPB-CYBMUJFWSA-N	320.393	1.632	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cn(-c2cccc(F)c2)nc1C	840291188	ZXSYQMGXOIUSLH-UHFFFAOYSA-N	319.340	1.674	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)[C@@H](C)NC(=O)OC(C)(C)C	842556484	BGMDZQNKUXRWEU-ADEWGFFLSA-N	313.398	1.817	50	20	DDGD	
CC(=NNC(=O)COCc1ccccc1)c1cc2n(n1)CCC2	841626129	MTCWVOLHONHKSH-UHFFFAOYSA-N	312.373	1.886	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)C[C@@H]2CCOC2)cc1	740177877	XNVGJMYVYPPIIQ-NSHDSACASA-N	322.434	1.497	50	20	DDGD	
Cc1nc(O)nc(O)c1CCC(=O)NNc1cccc(C#N)c1	748049761	GOHZRAOXJVRFOZ-UHFFFAOYSA-N	313.317	1.144	50	20	DDGD	
COc1ccc(NCC(=O)NN=C(C)c2ccn(C)n2)cc1	841604765	UUIXCESRFGSCIR-UHFFFAOYSA-N	301.350	1.381	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cc(Cl)cc(Cl)c1	917541711	MKYQTRSVZDMPAZ-UHFFFAOYSA-N	302.161	1.968	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnccc1C(F)(F)F	847099534	RBPYFTIWGWWSIZ-YUMQZZPRSA-N	317.267	1.286	50	20	DDGD	
O=C(CCCC[C@H]1CCSS1)NCC1(CO)COC1	747525595	DGCBWAMZQFSMQA-NSHDSACASA-N	305.465	1.826	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)CCCc1ccccc1)C(=O)O	848586253	TWQNDAKANZEBKT-NSHDSACASA-N	307.350	1.060	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1ccc2c(c1)CCC(=O)N2C	842559828	CRGWMBRIFMLNCP-BXUZGUMPSA-N	315.373	1.471	50	20	DDGD	
C[C@]1(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)C[C@@H]1c1ccccc1	841617514	YLZBADRLJBWSLR-IIAWOOMASA-N	320.414	1.717	50	20	DDGD	
C=C[C@@H](CC)CC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	929382322	VVRBPBXPKYMKHV-ZDUSSCGKSA-N	317.389	1.992	50	20	DDGD	
NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1ccc(Cl)cc1Cl	847600031	ZTTVHGPLOQBBLU-YUMQZZPRSA-N	302.161	1.948	50	20	DDGD	
CC(C)=CCOc1ccc(CCC(C)=NNC(=O)C(N)=O)cc1	920358906	NPZMEFPCEKAJRV-UHFFFAOYSA-N	317.389	1.942	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	758365371	BHRAPRCKXRECPL-LKBWSCCASA-N	322.405	1.549	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1cncc(F)c1	759249943	QCQKXODGAYUWIC-UHFFFAOYSA-N	309.322	1.381	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCn2ccnc2C)c1	858282963	VSQPBLGCZXGNPI-UHFFFAOYSA-N	307.379	1.206	50	20	DDGD	
CCC[C@@H](O)CC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	750068921	VSBIUZKUWPZANU-WDEREUQCSA-N	312.341	1.292	50	20	DDGD	
COCc1nn(C)cc1C(=O)NNc1cc(Cl)nc(C)n1	857541227	MWMRMMQNLGMCMU-UHFFFAOYSA-N	310.745	1.075	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)OCC(F)(F)F)oc1C	853431916	MWJGZSISXXQHOL-UHFFFAOYSA-N	308.212	1.997	50	20	DDGD	
Cc1nnc([C@@H](C)N[C@@H](C)C(=O)NNC(=O)CC(C)C)s1	759885601	KXNZHZNKECNCEA-DTWKUNHWSA-N	313.427	1.079	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1C(=O)NNC(=O)c1ccccn1	755319693	OAONQHNSSOBCLY-UHFFFAOYSA-N	316.273	1.073	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@](C)(O)CC)cc1	929295314	FUWLQTVKLMOLND-ZBEGNZNMSA-N	324.377	1.161	50	20	DDGD	
CO[C@H](C)CNC(=O)NNC(=O)Cn1ccc2ccccc21	852068457	QEZPBHKZYUEPSD-LLVKDONJSA-N	304.350	1.007	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)N[C@@H]1CCN2CCCC[C@@H]12	852059876	OKAMRECZSVTVQR-NEPJUHHUSA-N	309.801	1.988	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)Cc1nnn(C(C)(C)C)n1	857192194	DQUUZRXSXLFGOF-UHFFFAOYSA-N	322.344	1.262	50	20	DDGD	
C[C@H]1CCC[C@@H](C)[C@@H]1NCC(=O)NNC(=O)c1cccs1	754121171	AALFNXSGESWLFQ-YABSGUDNSA-N	309.435	1.923	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCC2(N)CCCC2)cc1F	851671098	FXJMXQKGSVRXNC-UHFFFAOYSA-N	324.356	1.510	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1ccc(O)c(C)c1	758382987	ZNUXJCSCGXXGEB-UHFFFAOYSA-N	312.329	1.575	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2c(C3CC3)cnn2C)n1	853277132	OCBAORKGZPSEFE-UHFFFAOYSA-N	300.366	1.261	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)COc2ccccc2O)o1	754020822	JHZRKWLCMCQGGJ-UHFFFAOYSA-N	304.302	1.063	50	20	DDGD	
Cn1nncc1NNC(=O)CCc1cccc(OC(F)F)c1	857270368	ZRIREKUHPHADSZ-UHFFFAOYSA-N	311.292	1.492	50	20	DDGD	
Cc1cccc(NNC(=O)NCc2cc(C3CC3)n(C)n2)n1	927663970	UPXNTRROJHZVSI-UHFFFAOYSA-N	300.366	1.827	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NC[C@H](C)C1CC1	920054251	NSGMQJPACIJJDZ-QWRGUYRKSA-N	323.368	1.970	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)c2ccc(C)o2)cc1[N+](=O)[O-]	752523470	VAJWZVNIGORREV-UHFFFAOYSA-N	318.289	1.613	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc(C(=O)O)c(F)c1	853277490	QRLDVFVXXZZIPJ-UHFFFAOYSA-N	309.341	1.706	50	20	DDGD	
O=C(CN1CCCCC1=O)OC[C@@H](CBr)C1CC1	859500499	HEAOLZIXFLGNCF-LLVKDONJSA-N	318.211	1.963	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cscc1C	854282774	UJLPBVZRTMCIMA-UHFFFAOYSA-N	301.437	1.544	50	20	DDGD	
C[C@@H]1COCCCN1C(=O)NC[C@]1(C)C[C@H]1Br	856902909	LFVNGQMKMQHHNL-FOGDFJRCSA-N	305.216	1.980	50	20	DDGD	
C[C@@]1(CNC(=O)c2cc3ncccn3n2)C[C@H]1Br	857686979	HWWVXCXTGQVBLI-SKDRFNHKSA-N	309.167	1.633	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)c1cnc2[nH]nnc2c1	755304157	AVXJHJLLQHMZKW-UHFFFAOYSA-N	322.288	1.160	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C2CCCn3nccc32)c1	853270812	NLSGONNCPIXNAG-UHFFFAOYSA-N	314.345	1.828	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H](CCN)C(F)F)C[C@H]1Br	857103607	LNESITYOMSLYKO-NYNCVSEMSA-N	314.174	1.442	50	20	DDGD	
O=C1CN(C[C@H](CBr)C2CC2)CN1CC1CC1	859284718	OSNGOGMDMKPFFL-LBPRGKRZSA-N	301.228	1.919	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccccc1COC(C)(C)C	932535837	BTEOUKYIXHZHGC-UHFFFAOYSA-N	309.366	1.801	50	20	DDGD	
CNC(=S)N(C)NC(=O)CNc1cc(Cl)ccc1OC	854926169	TUVQKICPVAPBRL-UHFFFAOYSA-N	316.814	1.228	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2F)CC1=O	855623742	NTLXXPKWPIVNRB-VIFPVBQESA-N	324.312	1.436	50	20	DDGD	
COC[C@H](OC)C(=O)Oc1ccc([N+](=O)[O-])c2ncccc12	857606669	AJDINMAXIBWWBP-LBPRGKRZSA-N	306.274	1.710	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@@H]2Cc3ccccc3S2)n1	753449657	IOONFKQPRMVPGI-VIFPVBQESA-N	321.793	1.872	50	20	DDGD	
CO[C@@H]1Cc2ccc(NC(=O)NNC(=O)CC(C)C)cc2C1	758059280	YFKCIPZOODHFFH-CQSZACIVSA-N	305.378	1.999	50	20	DDGD	
Cc1cccc(NNC(=O)CCNC(=O)C2CCCCC2)n1	862523783	NNFCPSVYAZIIFY-UHFFFAOYSA-N	304.394	1.920	50	20	DDGD	
C[C@@](O)(C(=O)NNc1nc2ccccc2[nH]c1=S)C1CC1	862293305	RBZISIHJMURTEM-AWEZNQCLSA-N	304.375	1.896	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccc(CC(C)C)cc1	869912669	WGJSXIGGIWLZHB-UHFFFAOYSA-N	308.378	1.309	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cccc2nsnc12	861603338	RUZUZMDTFFJSOM-HTQZYQBOSA-N	321.362	1.269	50	20	DDGD	
CC(C)(C)c1csc(NC(=O)c2cccc(B(O)O)c2)n1	863884726	CHNWBAJBCFBQQQ-UHFFFAOYSA-N	304.180	1.373	50	20	DDGD	
COCCOCCNC(=O)NNc1nc2c(C)cccc2s1	868145337	QEYJXPHVEYWZCQ-UHFFFAOYSA-N	324.406	1.894	50	20	DDGD	
C[C@H]1CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C[C@@H]1C	766992591	VZTQIHJVOSOEAY-STQMWFEESA-N	314.389	1.297	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(CC(F)(F)F)cc1	763441451	TYEUNJPCUSUJMD-UHFFFAOYSA-N	317.267	1.287	50	20	DDGD	
COCCOCC(=O)NNC(=O)CCc1cc(Cl)cs1	869909579	BUGSDDQXTORPGE-UHFFFAOYSA-N	320.798	1.145	50	20	DDGD	
C=C[C@H](CC(=O)NNC(=O)COCCOC)c1ccccc1	869907844	GAAPTVGCTWHAGI-CYBMUJFWSA-N	306.362	1.157	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2csc(CC(C)C)n2)n[nH]1	869012536	VAWRJNIZFUPWKX-UHFFFAOYSA-N	321.406	1.377	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)c2cnn(CCN(C)C)c2)c1	866871783	BSRQZOWMGPXNHQ-UHFFFAOYSA-N	301.394	1.818	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)C1(c2ccccn2)CC1	869217049	MANRXCRWHVTTTD-UHFFFAOYSA-N	304.419	1.409	50	20	DDGD	
CC1(c2ncc(C(=O)NCCCSC#N)s2)OCCO1	861552077	ZDVSPPPRZQQUBA-UHFFFAOYSA-N	313.404	1.697	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1ccc(Cl)nc1	768581584	SDWVGSPHDIQJPU-UHFFFAOYSA-N	307.766	1.761	50	20	DDGD	
NC(=O)[C@@H](Cc1ccc(Cl)cc1)NNC(=O)c1ccccn1	760575902	FSHRADXIJSBYCN-CYBMUJFWSA-N	318.764	1.066	50	20	DDGD	
COC(=O)C(=O)NN=Cc1csc(-c2cccc(OC)c2)n1	1116189234	GVMQFADAPTUCEK-UHFFFAOYSA-N	319.342	1.442	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=CC1Cc2ccccc2C1	766448047	SRVYHIPSZXHVGB-UHFFFAOYSA-N	311.341	1.526	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccn(-c2cccc(F)c2)n1	1115892378	RZQNMXDQRRPJGJ-UHFFFAOYSA-N	321.381	1.529	50	20	DDGD	
C#CCO[C@@H](C)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874953529	GPDDWRWFGVGBEM-NSHDSACASA-N	320.418	1.109	50	20	DDGD	
Cn1ccc(NNC(=O)CCCNC(=O)NC2CCCCC2)n1	1116837489	HOTOWIYQTTUDSD-UHFFFAOYSA-N	322.413	1.275	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC[C@H](Oc2ccc(F)cc2)C1	879997259	YQGWCWVRYPLJSV-RISCZKNCSA-N	323.368	1.225	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(Oc2cccnc2)nc1	879053316	ARGSLZJHIIVMFI-UHFFFAOYSA-N	317.349	1.884	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNc2cc(Cl)nc(N)n2)c1	779374963	KAWANRBMLCHTCK-UHFFFAOYSA-N	323.740	1.486	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NCC(F)F	879759689	XFOXQZSPMCBBBN-SSDOTTSWSA-N	305.256	1.189	50	20	DDGD	
CO[C@H]1CCC[C@H]1CNC(=O)NNC(=O)c1ccc(C#N)cc1	774696448	FVKGMCZFDLSUPZ-KBPBESRZSA-N	316.361	1.317	50	20	DDGD	
CC/C(C)=C(\C)C(=O)NNC(=O)Cc1cn2ccccc2n1	779974769	QOIWDYVKQXTFKA-VAWYXSNFSA-N	300.362	1.771	50	20	DDGD	
COCc1nc(C(=O)NNc2nccnc2C(C)C)cs1	772876077	GDIJDBHAMGONQE-UHFFFAOYSA-N	307.379	1.960	50	20	DDGD	
O=C(CO)NN=Cc1csc(-c2cccc([N+](=O)[O-])c2)n1	776782544	QAJJMDBBZGGEPC-UHFFFAOYSA-N	306.303	1.161	50	20	DDGD	
CC(C)[C@@H]1CC(=NNC(=O)[C@@H](C)CN2CCOCC2)CCO1	776764083	XIGYTWWCUILOTK-ZFWWWQNUSA-N	311.426	1.262	50	20	DDGD	
CC(=NNC(=O)CC1CCCC1)C1CCS(=O)(=O)CC1	777433375	BXNNCDIVHSSQFJ-UHFFFAOYSA-N	300.424	1.884	50	20	DDGD	
CCOCCONC(=O)NNC(=O)c1ccc2ccccc2n1	773512426	PTMRTGYBQBFCDJ-UHFFFAOYSA-N	318.333	1.147	50	20	DDGD	
COc1cc(C=NNC(=O)c2cccnc2)ccc1[N+](=O)[O-]	770599422	REALYPHOGCZIOW-UHFFFAOYSA-N	300.274	1.762	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)C1(F)CCCC1	773236765	RATCNTACLABGQK-UHFFFAOYSA-N	304.325	1.307	50	20	DDGD	
Cc1onc(CC(=O)NNc2nccnc2C(C)C)c1C#N	772829619	ARAPOLSIZMRNCW-UHFFFAOYSA-N	300.322	1.454	50	20	DDGD	
CC(=NNC(=O)Cc1nc2ccccc2n1C)c1cnn(C)c1C	778539716	HNCFYIBPJILMQA-UHFFFAOYSA-N	324.388	1.698	50	20	DDGD	
COc1cccc([C@@H](C)NC(=O)NNC(=O)C2CCOCC2)c1	883165552	HGQZVPNNNBKLTB-LLVKDONJSA-N	321.377	1.513	50	20	DDGD	
CCc1nnc(SCC(=O)NNC(=O)c2cccc(C)c2)o1	882330128	NAVASSOIRLDIDE-UHFFFAOYSA-N	320.374	1.494	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CN(C)c1ccc(Cl)cn1	887141772	HYTLAUQQORQXDZ-UHFFFAOYSA-N	308.769	1.122	50	20	DDGD	
O=C(CCc1cccc2c1OCO2)NNC(=O)NC1CCCC1	770223442	PPQBTWSRKZKIDI-UHFFFAOYSA-N	319.361	1.621	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cccc(C(F)(F)F)c1	779823549	QZJIVFZFFJDAGS-UHFFFAOYSA-N	303.240	1.512	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)NC[C@@H]1C=CCC1	883479737	HHLLVPHGOWMQQC-CYBMUJFWSA-N	312.373	1.938	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)Cc1ccc(F)cc1	772047122	KANGKBJLIOKICR-QWRGUYRKSA-N	324.352	1.493	50	20	DDGD	
Cc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)Cc1ccncc1	772350106	VZZUOYLHJQXMQU-UHFFFAOYSA-N	314.301	1.302	50	20	DDGD	
C[C@H]1CN2CCN1C[C@@H]2C(=O)NNc1ccc(F)c(Cl)c1	1123840962	RXVMSPIOURXIKR-TVQRCGJNSA-N	312.776	1.311	50	20	DDGD	
CCC1(CC)CCCN(C(=O)NNC(=O)c2cccnn2)C1	883853808	RDHPIGHMDBZVJA-UHFFFAOYSA-N	305.382	1.733	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CSc2n[nH]c(C)n2)c1	780792427	WHUXVYLQXZPWPA-UHFFFAOYSA-N	321.362	1.135	50	20	DDGD	
O=C(C1CCC(Cl)CC1)N1CCN(c2ncccn2)CC1	1123572932	IMMIUGUBXLTJOY-UHFFFAOYSA-N	308.813	1.923	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1ccc2ccccc2n1	880492104	NLLPJQYEIGCUBO-ZDUSSCGKSA-N	314.345	1.957	50	20	DDGD	
O=C1COc2ccc(C=NNC(=O)NCc3ccco3)cc2N1	788714360	HDQWJXSWGVNHAE-UHFFFAOYSA-N	314.301	1.444	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)/C(C#N)=C/c1ccccc1	785352189	UOKHYXLUGPXOOZ-GJSJWPQCSA-N	315.329	1.083	50	20	DDGD	
Cn1cc(CC(=O)NNC(=O)C2CCOCC2)c2ccccc21	883061646	BIRGAJWSIZJFPG-UHFFFAOYSA-N	315.373	1.295	50	20	DDGD	
CN1C[C@@H](C(=O)NNC(=O)C2CCCC2)c2ccccc2C1=O	782528260	ZQBOXMRXLFAIML-CQSZACIVSA-N	315.373	1.193	50	20	DDGD	
CCC[C@H](NC(=O)NNC(=O)C1CCOCC1)c1ccccn1	883327866	HPTYMFZGGXICQO-AWEZNQCLSA-N	320.393	1.680	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cc(C(F)(F)F)ccn1	883059343	TYLFATISRRRWBA-UHFFFAOYSA-N	317.267	1.288	50	20	DDGD	
CC1=NO[C@@](C)(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)C1	1120649463	UHLLEPSTIOLXDK-OAHLLOKOSA-N	319.365	1.460	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NC[C@@H]1CCCCS1	784290004	KLQYDCMQPYILJC-LBPRGKRZSA-N	308.407	1.240	50	20	DDGD	
COC(=O)c1ccc(/C=C(/C#N)S(=O)(=O)N(C)C)cc1C	899370436	GNSYMGFYTLVYLH-WQLSENKSSA-N	308.359	1.538	50	20	DDGD	
Cc1cc(F)ccc1C(=O)NNc1ccc(-n2ccnc2)nn1	788175555	UXKBUUSYKLGQIH-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
CC(C)(C(=O)NNc1ncccc1[N+](=O)[O-])c1cccnc1	781428447	DXNSEYSCBCKWJR-UHFFFAOYSA-N	301.306	1.806	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2c[nH]nc2C)ccc1F	782092722	UWKODBAJWNXVLJ-UHFFFAOYSA-N	307.285	1.332	50	20	DDGD	
CNc1cc(C(=O)NNC(=S)NC(C)(C)C)cc(Cl)n1	899995540	UHHBMPPCDGDUQE-UHFFFAOYSA-N	315.830	1.684	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1	781019423	FEGPDWRMDVVQNQ-ZJUUUORDSA-N	314.386	1.030	50	20	DDGD	
CCOCCOCCCC(=O)NNC(=S)NC(C)(C)C	899999752	VXNCNLGQCRRQIK-UHFFFAOYSA-N	305.444	1.114	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)Nc1cccc(NC(=O)NN(C)C)c1	791277660	RSURMPNVJOVXGU-CHWSQXEVSA-N	306.366	1.648	50	20	DDGD	
Cn1cc(C(=O)NN=c2cc[nH]cc2Cl)c(-c2ccoc2)n1	790023803	YUEKRFPXAMPBBE-UHFFFAOYSA-N	317.736	1.907	50	20	DDGD	
CCC1=C(C(=O)NNC(=O)Cc2ccc(F)cc2)CCCO1	790125772	TWACPNBTXVQWPY-UHFFFAOYSA-N	306.337	1.990	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)Nc1cccc2c1CCO2	797670979	BQRBDOBAFZBMJL-UHFFFAOYSA-N	310.317	1.813	50	20	DDGD	
CSSCCNC(=O)N1CCC[C@H](S(C)(=O)=O)C1	790880769	YOLFBIULPNKHET-VIFPVBQESA-N	312.482	1.216	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)c2cc(C)n(C)n2)cc1OC	799866445	GZPIPZPBCJNRHK-UHFFFAOYSA-N	316.361	1.900	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)N2CCN(C)CC2)c(OC)c1	790174708	UTMZSPCVXMRWNL-UHFFFAOYSA-N	320.393	1.385	50	20	DDGD	
C=CC[C@H](CC)NC(=O)NNC(=O)COc1ccccc1C#N	798495039	PNCPILMTDCIFLW-ZDUSSCGKSA-N	316.361	1.622	50	20	DDGD	
CN(C)c1ccncc1C=NNC(=O)c1ccc(O)c(O)c1	794557581	FFNFJYJCSZTAOJ-UHFFFAOYSA-N	300.318	1.323	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)c1ccc(OC)c(OC)c1	794867871	MYFRVXVVOLSRDQ-OAHLLOKOSA-N	310.350	1.280	50	20	DDGD	
C=C(CBr)CN(CCC)[C@@H]1CCS(=O)(=O)C1	791449509	BZYFRXPBAHGALX-LLVKDONJSA-N	310.257	1.837	50	20	DDGD	
O=C(CC1OCCO1)NNC(=O)c1c(Cl)cccc1Cl	793385901	YPXLSGXXQPXRTQ-UHFFFAOYSA-N	319.144	1.517	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2cccc(CC#N)c2)o1	794590326	SIJDHIUAZVXDHU-UHFFFAOYSA-N	319.342	1.277	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NN=C(C)c1ccc(O)nn1	790155481	KCNPHWKFBSCACO-UHFFFAOYSA-N	320.736	1.998	50	20	DDGD	
COC(=O)C(=O)NN=C1CCc2ccc(OC(F)(F)F)cc21	1318903403	VYCJWUNNMHPNNQ-UHFFFAOYSA-N	316.235	1.525	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)c1F	1319210795	AEWGSERYNUANRV-UHFFFAOYSA-N	316.336	1.811	50	20	DDGD	
CSc1nc(O)nc(C)c1C(=O)NN[C@@H](C)C(F)(F)F	1329156752	JPCDBTMUEDGMQJ-YFKPBYRVSA-N	310.301	1.398	50	20	DDGD	
O=C(CCl)NC[C@H](c1ccc(F)cc1)N1CCOCC1	1320466755	OVXDHBHYNBNWGE-CYBMUJFWSA-N	300.761	1.554	50	20	DDGD	
COCc1nocc1C(=O)NNc1nc(-c2cccnc2)no1	1327665547	UGXSURXLPYWLHO-UHFFFAOYSA-N	316.277	1.023	50	20	DDGD	
O=C(NNc1cncc(Br)c1)c1cccnc1O	1324516637	TXZKKZPGGSEEGX-UHFFFAOYSA-N	309.123	1.702	50	20	DDGD	
Cc1nc(C(C)C)nc(O)c1C(=O)NNC(=O)c1ccccc1	1323461035	LBCYGCDTCAHRIW-UHFFFAOYSA-N	314.345	1.689	50	20	DDGD	
CC(=O)c1cccc(O[C@H](C)C(=O)NNc2ccn(C)n2)c1	1256184051	JXWPCWJYZAGFLO-LLVKDONJSA-N	302.334	1.533	50	20	DDGD	
O=C(Cn1cc(NC(=O)NCC(Cl)Cl)cn1)NC1CC1	1330672812	YNNFKVMVPALFFU-UHFFFAOYSA-N	320.180	1.087	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2cc(F)c(F)cc2F)n1	1335801227	BXKCTFYLYSQYGY-UHFFFAOYSA-N	324.262	1.615	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H](C)[C@H]2CCC(=O)N2)c1	1332406571	CZXDUIZFPFADPW-ZYHUDNBSSA-N	320.418	1.227	50	20	DDGD	
COCCCn1nccc1C=NNC(=O)c1ccc(OC)cc1	1256727629	BJHFAULFPZJVMQ-UHFFFAOYSA-N	316.361	1.692	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1334100756	BGSHBNKQHNHHHN-FZMZJTMJSA-N	318.377	1.031	50	20	DDGD	
C[C@@H]1Nc2ccnn2[C@H](C)[C@@H]1CCC(=O)NNC(=O)C1CC1	1346073846	YSGRRDCVZBUULS-HOSYDEDBSA-N	305.382	1.212	50	20	DDGD	
CN1CCCC[C@H]1CNC(=O)NNc1ccc(C(C)(C)C)nn1	1342109631	CBYBJYVAUDXRAW-LBPRGKRZSA-N	320.441	1.885	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CC(c3cnn(C)c3)=NO2)cc1F	1347190513	JDVRKGSHKWFWRM-AWEZNQCLSA-N	317.324	1.504	50	20	DDGD	
Cc1nn(C)c(C(=O)NNc2ccc(C#N)cc2)c1[N+](=O)[O-]	1341868722	KFIMLRTUTNNZAK-UHFFFAOYSA-N	300.278	1.265	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C[C@H]1CC(=O)Nc2ccccc21	1351089771	GJHOZSDBLBCPTD-SNVBAGLBSA-N	320.418	1.406	50	20	DDGD	
C[C@@]1(CNC(=O)c2cnn3c2NCCC3)C[C@H]1Br	1352453183	XRHWHKHNYWAVTN-SKDRFNHKSA-N	313.199	1.602	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)CN3C2)n1	1350882658	YDNDNLFZQNXYSV-IJLUTSLNSA-N	305.382	1.049	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1Cl	1606274957	HBQIJYZTPSXQIB-UHFFFAOYSA-N	318.728	1.011	50	20	DDGD	
Cn1c(C=NNC(=O)C(=O)O)nc2cc(C(F)(F)F)ccc21	1600912243	ONTJHKQYSFYVIT-UHFFFAOYSA-N	314.223	1.127	50	20	DDGD	
O=C(NNC(=O)C12CCC(C(=O)O)(CC1)CC2)[C@H]1CCCCO1	1601553499	JZFZBFROHZONCC-VHWKEVPUSA-N	324.377	1.128	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@H](C(=O)NNc2ccc(C(=O)O)cc2F)C1	1601145867	UDNKULUQFXBSNP-BDAKNGLRSA-N	323.324	1.259	50	20	DDGD	
O=C(O)CNC(=O)NN=C1CC2(CCCC2)Oc2ccccc21	1602071133	CFBCSZYOOXHMAU-UHFFFAOYSA-N	317.345	1.870	50	20	DDGD	
CN(NC(=O)C(=O)Nc1sccc1C(=O)O)c1ccccc1	1610126829	VVKNKYAJWIAUSP-UHFFFAOYSA-N	319.342	1.552	50	20	DDGD	
CC(Cc1ccc(O)cc1)=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549320126	KTZPDLLNAACTNI-GDBMZVCRSA-N	317.389	1.290	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1cc(C2CC2)[nH]n1	1610288072	WFEVMIZRKLFFCN-UHFFFAOYSA-N	316.317	1.751	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@H]1C=NNC(=O)N1CCOCC1	1552757371	DKWYXFYBGNVGSQ-STQMWFEESA-N	321.381	1.008	50	20	DDGD	
Cc1coc(C=NNC(=O)[C@H]2CCCO[C@@H]2c2nccn2C)c1	1550194065	QWSUMFYOWIWPPO-KBPBESRZSA-N	316.361	1.940	50	20	DDGD	
Cc1cc(F)c2c(c1)N[C@H](C(=O)NNC(=S)NC(C)(C)C)C2	1579611264	RTSSILGTWOFCLZ-LBPRGKRZSA-N	324.425	1.765	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1	1574544905	KKGSNLWZFYDOCD-GFCCVEGCSA-N	322.796	1.384	50	20	DDGD	
C[C@@H](C(=O)O)c1ccc(NC(=O)NN=c2cc[nH]cc2)cc1	1589512640	UBSLCBHKVVAERU-SNVBAGLBSA-N	300.318	1.840	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])C1(NC2CC2)CCC1	1580739372	FCEHJVXBPHPOKP-UHFFFAOYSA-N	308.313	1.852	50	20	DDGD	
CC[C@H](CNC(=O)N1C[C@H]2[C@H](Br)[C@H]2C1)C(=O)O	1589528753	MOYZNSILRDUDPY-HXFLIBJXSA-N	305.172	1.132	50	20	DDGD	
C#CC(=O)N1CC2(CCCN2C(=O)[C@@](C)(Cl)CCl)C1	1845172948	NFMVTFFXQMWLTP-LBPRGKRZSA-N	303.189	1.059	50	20	DDGD	
O=C(O)CCCCCNC(=O)NNc1ncc(Cl)cn1	1595038584	MWOYQPPLVXKXTI-UHFFFAOYSA-N	301.734	1.401	50	20	DDGD	
CC[C@H](NNC(=O)c1ccc(F)cc1Br)C(=O)O	1595306329	ZUSRAWOBLZRXQF-VIFPVBQESA-N	319.130	1.686	50	20	DDGD	
CS[C@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1591687069	VXSMYUCDAOHWPT-ZCFIWIBFSA-N	312.786	1.715	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H](C(=O)O)C2CC2)c2ccccc21	1594530186	CVNVXIVUELEBEQ-ZDUSSCGKSA-N	315.329	1.050	50	20	DDGD	
COc1c(C)cc(C(C)=NNC(=O)NCC(=O)O)cc1Cl	1599331101	HUOUXPRDFMJMPK-UHFFFAOYSA-N	313.741	1.765	50	20	DDGD	
CC(CCC(=O)O)=NNC(=O)[C@H]1OCC[C@H]1c1ccccc1	1592471051	VHDXGRJUWGNOFN-ZFWWWQNUSA-N	304.346	1.916	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C#N)cc2)cc1	19601552	STBBKCCOQCVJSX-UHFFFAOYSA-N	322.324	1.266	50	20	DDGD	
COC(=O)NNC(=O)c1nn(-c2ccccc2Cl)cc1C	158673340	IBFQXPGAPWJGFQ-UHFFFAOYSA-N	308.725	1.835	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1cccc(SC(F)F)c1	155986443	MCUCFMVIYXTHTA-UHFFFAOYSA-N	318.349	1.716	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)NNC(=O)Cc1ccccc1F	154290447	DMYKXDSKCFDXDG-MFKMUULPSA-N	306.337	1.521	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](c2ccccc2)N(C)C)nc1	159235306	CRUIAMKJZABQNE-OAHLLOKOSA-N	300.362	1.836	50	20	DDGD	
C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1cccc(B(O)O)c1	584942730	WNVWBDROSHMTSQ-CQSZACIVSA-N	323.201	1.807	50	20	DDGD	
Cn1ccnc1[C@H]1CCN(CCI)C1	846839391	SUEBIKACZVRCPI-VIFPVBQESA-N	305.163	1.644	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1cnn(-c2ccccc2)c1	7907641	YOWAFXHDEOQTNA-XNTDXEJSSA-N	310.357	1.932	50	20	DDGD	
O=C(CCc1cccnc1)NNC(=O)COc1ccc(F)cc1	8140787	KJPGNDODLDITLX-UHFFFAOYSA-N	317.320	1.380	50	20	DDGD	
CCC(C)(C)C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12	102633138	NOBFHFKHGZGLNY-UHFFFAOYSA-N	302.334	1.120	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1nccc2ccccc12	103456622	DOSWQINRDFWXJW-UHFFFAOYSA-N	306.325	1.634	50	20	DDGD	
CN(C)CCN(C)S(=O)(=O)c1ccc(CCCl)cc1	111147497	FBMQGAJXZJMUOP-UHFFFAOYSA-N	304.843	1.650	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)C(C)C)cc1C	176685705	GJALHJKDYQYQBC-GFCCVEGCSA-N	305.378	1.681	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCc1ncccc1C	109174204	AKHYOPFVWGLYRO-UHFFFAOYSA-N	314.345	1.543	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)[C@H]1C[C@@H]1C1CC1	175524459	IDUAKMUDTFFAQA-NEPJUHHUSA-N	309.460	1.832	50	20	DDGD	
CC1CCN([C@@H](C)CNC(=O)NNC(=O)OC(C)(C)C)CC1	67706212	DEPXWWBJDBKXJK-LBPRGKRZSA-N	314.430	1.846	50	20	DDGD	
Cc1oc(-c2cnn(C)c2)nc1C(=O)NNC(=O)CC(C)(C)C	175817860	SAJQMJBMHYIXNN-UHFFFAOYSA-N	319.365	1.581	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Cc1ccc2c(c1)CCCC2	61224360	UDXUTDMOLAHWSX-UHFFFAOYSA-N	311.385	1.908	50	20	DDGD	
N#CC1(C(=O)NNC(=O)c2cc3ccccc3o2)CCOCC1	177727704	SNDXCKHSPFHILQ-UHFFFAOYSA-N	313.313	1.514	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)CCOc1ccccc1	61475856	VCOZUPQBALCNAJ-UHFFFAOYSA-N	305.359	1.682	50	20	DDGD	
COc1ccc(OCCC(=O)NNC(=O)c2ccc(C)o2)cc1	175833026	IRUDTAQDHXUIBK-UHFFFAOYSA-N	318.329	1.827	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)Cc1cn2ccccc2n1	185075924	LNBHVABVZNBSOF-UHFFFAOYSA-N	318.377	1.087	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(OCC(F)(F)F)cc1	65189897	ZAHLLTPZADGOGK-UHFFFAOYSA-N	305.256	1.592	50	20	DDGD	
CCCCCCC(=O)NNC(=O)[C@H]1COc2ccccc2O1	29604786	OJAHDRKWYCVXIX-CQSZACIVSA-N	306.362	1.944	50	20	DDGD	
CCC(CC)n1nccc1C(=O)NNc1nccn(C)c1=O	129586504	VBHMPIXHRIHGJO-UHFFFAOYSA-N	304.354	1.095	50	20	DDGD	
CCCCC1CCC(NC(=O)NNC(=O)C(=O)NC2CC2)CC1	67647252	UDIAZRHMCFLWCE-UHFFFAOYSA-N	324.425	1.344	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccc(F)cc1)Cc1cccnc1	121089674	NFEFCRRHSSVOTH-UHFFFAOYSA-N	316.336	1.114	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Cc1cc(F)c(F)cc1F	122329814	FRYBXBDLJFVZCM-UHFFFAOYSA-N	323.274	1.432	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)nc(C)n1	128960366	DAPHSBNNGPBGHF-LBPRGKRZSA-N	317.393	1.328	50	20	DDGD	
COc1cccc(NNC(=O)c2cc(C3CC3)[nH]c(=O)c2)n1	186334277	AKYJXWLDPBBOLO-UHFFFAOYSA-N	300.318	1.413	50	20	DDGD	
NC(=O)c1ccc(F)c(NC(=O)C(=O)NNc2ccccc2)c1	181275317	UNNRTHAXQGFPFZ-UHFFFAOYSA-N	316.292	1.006	50	20	DDGD	
CNC(=O)c1cccc(NC(=O)NNC(=O)CC2CCCC2)c1	183279521	QQKZUBCOGSMGBN-UHFFFAOYSA-N	318.377	1.779	50	20	DDGD	
CCCC(=O)N1CCC[C@@H](C(=O)NNc2cc(C)nc(C)n2)C1	129060842	BWDSOWLHUKFSAO-CYBMUJFWSA-N	319.409	1.575	50	20	DDGD	
O=C(Cc1ccc(F)c(F)c1)NNC(=O)c1ccccc1O	121464033	SVTCHFRPFLCIQZ-UHFFFAOYSA-N	306.268	1.674	50	20	DDGD	
COc1cccc(OC)c1/C=C(\C#N)C(=O)NC[C@@H]1CCCO1	182248840	OECZXFACWWORIN-SRXBQZRASA-N	316.357	1.906	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)NOC[C@H]1CCOC1	190441380	RPMVZIZFDKJDFV-ZETCQYMHSA-N	305.256	1.698	50	20	DDGD	
CC[C@@]1(C)CN(CC(=O)NNC(=O)c2ccc(F)cc2)CCO1	135594207	RRPVANPHHWNJTL-INIZCTEOSA-N	323.368	1.088	50	20	DDGD	
NC(=O)COCCNC(=O)CCCC[C@@H]1CCSS1	224262052	ZKBSMYLOEXABBR-SNVBAGLBSA-N	306.453	1.319	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)Nc1cnns1	192326166	LGRAOGDPPVGFAX-UHFFFAOYSA-N	303.303	1.751	50	20	DDGD	
Cc1cc(OC(F)F)c(C(=O)NNC(=O)C(C)(C)O)s1	190067605	XPOVDZONYRAPJK-UHFFFAOYSA-N	308.306	1.190	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(Br)cs1	195336731	REYQHQCZYGQRMD-UHFFFAOYSA-N	320.237	1.806	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccc(-n2cccc2)cc1	81025231	MUAKVSROMSOAGJ-UHFFFAOYSA-N	320.352	1.876	50	20	DDGD	
Cc1cc(C(=O)NNc2nc3ccccn3n2)c2c(C)noc2n1	191896554	SZYYTSNCUIHISS-UHFFFAOYSA-N	323.316	1.639	50	20	DDGD	
COc1ccncc1NC(=O)C(=O)NNc1ccc(F)cc1F	131271471	ZGBOWTQNEMRVII-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
C[C@H](CNC(=O)NNc1cncc(Cl)n1)Cn1cccn1	97215262	IITZIDCVZDFYLC-SECBINFHSA-N	309.761	1.289	50	20	DDGD	
Cn1c(=NNC(=O)NNC(=O)C(C)(C)C)sc2ccccc21	255132616	CAWUBWYFCQXYGE-UHFFFAOYSA-N	321.406	1.432	50	20	DDGD	
CC(C)CC[C@@H](C)NC(=O)NNc1nc(O)c2cnn(C)c2n1	269465968	WIMUEJUWFLSGIG-SECBINFHSA-N	321.385	1.520	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)COCc2ccccc2)O1	268194037	SOHRITJDQUHAKP-UONOGXRCSA-N	306.362	1.308	50	20	DDGD	
COCCC1(CNC(=O)NNc2nccc(OC)n2)CCCC1	268559955	RYXZZHHGPVVKRV-UHFFFAOYSA-N	323.397	1.708	50	20	DDGD	
CC(C)Cc1ccc(S(=O)(=O)NNC(=O)C2CCC2)cc1	264714683	GXADRCURGVXFNU-UHFFFAOYSA-N	310.419	1.995	50	20	DDGD	
O=C(NC[C@H]1CSCCS1)NNc1cncc(Cl)n1	268088847	IHFUXASVGKOMIP-ZETCQYMHSA-N	319.843	1.605	50	20	DDGD	
Cn1cc([C@H]2OCC[C@@H]2C(=O)NNc2cccc(F)c2)cn1	276069713	UMWGTRLZGYQYHE-UONOGXRCSA-N	304.325	1.780	50	20	DDGD	
CCOC(=O)N1CC[C@H](NC(=O)NNc2ncccc2C)C1	276782485	PZKWQRIPJCMXKA-NSHDSACASA-N	307.354	1.247	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2nccn2C1)c1ccc(Cl)cc1	363077681	WYPBDIYVCWCKFR-LLVKDONJSA-N	318.764	1.560	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)Cn2cnc3ccccc32)CCCOC1	272958020	WFLLUHALJPFPGW-INIZCTEOSA-N	316.361	1.000	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CSCC(=O)c1ccccc1	272674820	LUFIJLWRKDJMHD-UHFFFAOYSA-N	309.391	1.295	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)[C@@H]1CCCCS1(=O)=O	275117623	ZBMBHPCLJBJZQV-NSHDSACASA-N	304.318	1.375	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)C1Cc2ccccc2C1	277709512	REABFCYPHBEGCT-UHFFFAOYSA-N	324.380	1.766	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1	374490636	XTUCHBDOVLJYMT-YGRLFVJLSA-N	315.370	1.063	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(C#N)cc1)n1nnnc1C(C)(C)C	273522400	YUARZYSELTXFCM-JTQLQIEISA-N	313.365	1.547	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCC2=CCCOC2)cc1	288109682	XHGCHLNULDMITA-UHFFFAOYSA-N	319.361	1.051	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)c2cccc3ncccc23)C1	286780479	UFDNPASPZHPALZ-UHFFFAOYSA-N	313.357	1.811	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NC[C@H]1COc2ccccc21	289418342	PKKXDLQHONUVHL-NSHDSACASA-N	305.378	1.929	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc(NC(=O)OC)c1C	280697729	NXFBZYTYGWOBPT-UHFFFAOYSA-N	323.353	1.871	50	20	DDGD	
O=C(NNC(=O)c1occ2c1CCOC2)Nc1ccccc1	375870796	HZGKLMNMRWHCIM-UHFFFAOYSA-N	301.302	1.819	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)CC1	281392008	DLTZPGLMCGXZEA-NSHDSACASA-N	324.352	1.557	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ccc(OC(F)F)cc2)CC1	281706584	WBZXYKCJOBQSKI-UHFFFAOYSA-N	320.317	1.308	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@H]2CCOC[C@@H]2C)n1	286911147	JSPINJOEOWXHSY-GXSJLCMTSA-N	309.370	1.092	50	20	DDGD	
Cc1noc(C)c1C(C)(C)C(=O)NNC(=O)Cc1cccnc1	282005635	OWAQYBVEHYYDRX-UHFFFAOYSA-N	316.361	1.354	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNC(=O)CNc1ccccc1	806355663	YVKQEHDLHHFBAB-UHFFFAOYSA-N	321.377	1.225	50	20	DDGD	
C[C@@H]1CC(=O)N[C@H](C(=O)NNC(=O)CCCc2ccccc2)C1	293043619	NJLCWWCGUJFOLA-JSGCOSHPSA-N	317.389	1.071	50	20	DDGD	
Cc1nn(C(C)C)c(C)c1CC(=O)NNC(=O)NC1CCCC1	292281000	XWUPOUUSOACIMF-UHFFFAOYSA-N	321.425	1.896	50	20	DDGD	
CSc1ccsc1C(=O)NNC(=O)N=c1cc[nH]cc1	802036242	RUHFQKWSDBLUCO-UHFFFAOYSA-N	308.388	1.753	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)n2ccc3ccccc3c2=O)ncn1	806863327	FGQLJVDJXMOGTE-GFCCVEGCSA-N	323.356	1.804	50	20	DDGD	
O=C(NNc1cccc(F)n1)NC1CCN(CC(F)F)CC1	805064347	IAEBNMLCEAWZNW-UHFFFAOYSA-N	317.315	1.576	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(C#N)ccc2Cl)n[nH]1	802936779	HURJXNBPDBOASZ-UHFFFAOYSA-N	303.709	1.318	50	20	DDGD	
C[C@@H]1COCC[C@H]1CNC(=O)NNC(=O)c1ccccc1O	807509064	QGPNLZMNYLNNDG-MNOVXSKESA-N	307.350	1.009	50	20	DDGD	
CCn1cc([C@H](C)NC(=O)NNc2nc(C)cc(OC)n2)cn1	297373595	KJNMKTNWSHYPOL-JTQLQIEISA-N	319.369	1.397	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNc1ccc(Cl)nn1	806881934	LGPBBKUXJAWGHB-UHFFFAOYSA-N	300.746	1.553	50	20	DDGD	
C#CCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(C)cc1Cl	295696450	JQKIAYAYRDYVAU-JTQLQIEISA-N	309.753	1.839	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1ccc(OCC2CC2)cc1	293384796	PWFFYEQXUFRJCP-AWEZNQCLSA-N	319.361	1.807	50	20	DDGD	
O=C(NC[C@H](c1ccccc1)C1CC1)NNC(=O)[C@@H]1CCCO1	297506861	VSKRISJZGMFKGG-CABCVRRESA-N	317.389	1.690	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@@H](OC)C1CC1	296727503	UMHUFWAKGDTKAQ-CYBMUJFWSA-N	307.350	1.064	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)C(C)(C)C)Cc1ccccc1	296672123	PMGZCSBZCDOUBR-CYBMUJFWSA-N	307.394	1.621	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1c(Cl)cncc1Cl	814255518	RKNRANRHBQNPDS-UHFFFAOYSA-N	313.144	1.802	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCc2sccc21)c1ccnnc1	817693339	NCDLJKFBKPJQBC-NSHDSACASA-N	302.359	1.419	50	20	DDGD	
O=C(NNC(=O)c1cccc(CO)c1)c1ccc(Cl)nc1	813414388	WXRKDZMAMXQBQO-UHFFFAOYSA-N	305.721	1.302	50	20	DDGD	
CCCC(=NNC(=O)C(=O)N1CCCC1)c1ccc(OC)cc1	814824368	SYSOJVCJHXPVNI-UHFFFAOYSA-N	317.389	1.938	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)CNc1ccc(C)cc1C	812456246	UGWCEDGVSZOEQE-ZIAGYGMSSA-N	321.421	1.781	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cc(C)sc1C	728437339	QOVJQSYMJMHPID-SECBINFHSA-N	317.436	1.143	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)c1ccc2ccccc2n1	812450416	HSIVRLQGDANRLF-NWDGAFQWSA-N	315.373	1.914	50	20	DDGD	
C[C@@H]1SCC[C@@H]1NC(=O)NNC(=O)CCOc1ccccc1	825821397	UKVJOWADLVWXCZ-AAEUAGOBSA-N	323.418	1.680	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCC[C@](C)(O)c2ccccc2)cn1	491109099	ZIUSDOCQSUNFJG-KAPURRDVSA-N	324.384	1.741	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@@H]1CCCCN1C1CCCC1	825505753	TZWZVPABVAAPHT-NSHDSACASA-N	321.343	1.883	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1ccc(N(C)C)cc1	825601843	DJOLZKLRFHYASD-SMDDNHRTSA-N	320.393	1.008	50	20	DDGD	
COC(=O)Nc1cccc(OS(=O)(=O)CBr)c1	495286971	QFCKBFQRFOTXDK-UHFFFAOYSA-N	324.152	1.926	50	20	DDGD	
Cc1oc(C(C)(C)C)cc1C(=O)NNC(=O)c1cccnn1	829343485	RYWPMHQOVYJLDV-UHFFFAOYSA-N	302.334	1.750	50	20	DDGD	
CNC(=O)NN=C1CCOC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C	496711266	ANYNIYASWAIKAI-VHSXEESVSA-N	314.386	1.221	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(F)c(C(=O)NNC(=O)C(C)(C)C)c1F	822245640	YDNGPJNENOCRFU-UHFFFAOYSA-N	315.276	1.989	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1sccc1-c1nn[nH]n1	826449237	ITEDKWBBXJRRRQ-UHFFFAOYSA-N	305.298	1.219	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=C1CCc2c(O)cccc21	494725594	JZLVUUNOHORVSA-UHFFFAOYSA-N	319.361	1.683	50	20	DDGD	
Cc1ccc(CSCCNCc2ccc(B(O)O)o2)cc1	585016319	MHIBJLXDSZFDQZ-UHFFFAOYSA-N	305.208	1.291	50	20	DDGD	
CC(C)NC(=O)/C(C#N)=C/c1ccc(F)c(-c2nn[nH]n2)c1	824301393	WZKUGSYNODKHFE-BJMVGYQFSA-N	300.297	1.437	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1cc(OC)c(OC)cc1F	491100623	BRUXBYFUVPTLDB-GHXNOFRVSA-N	322.336	1.903	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1c2c(nn1C)CCC2	907027824	JAMAQOSXKOELQH-UHFFFAOYSA-N	312.373	1.221	50	20	DDGD	
O=C(NCB(O)O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1	585060560	SISYWFOXPXEMRG-QWRGUYRKSA-N	316.191	1.474	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCc2ccc(F)cc2F)cn1	490700773	VXKUTQGZRDDTKI-QCDXTXTGSA-N	302.284	1.922	50	20	DDGD	
CCNC(=O)NN=C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C	496473764	KSLVGNKAZORTHC-SNVBAGLBSA-N	314.386	1.663	50	20	DDGD	
Cc1nnc(CNC(=O)[C@@]2(C)C[C@H]2Br)n1C1CC1	907240994	VRIUIOJFRCDUIV-SKDRFNHKSA-N	313.199	1.711	50	20	DDGD	
CCC(=O)NN=C(C)C[C@@H]1COCCN1C(=O)OC(C)(C)C	495332008	SRZUQNSFYVQBBK-GFCCVEGCSA-N	313.398	1.915	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@@H]1CCCCO1)[C@H]1C[C@H]2CC[C@H]1C2	837320433	HSQXDGAVNJDOTH-YHQUGGNUSA-N	309.410	1.711	50	20	DDGD	
O=C(NNc1cccnn1)[C@H]1CCN(c2ccc(F)cc2)C1=O	736702425	ZIWJVASMLBEEAB-GFCCVEGCSA-N	315.308	1.112	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)c1	905104498	RXSKBCCXUXVVSR-KNXALSJPSA-N	316.357	1.055	50	20	DDGD	
Cc1csc([C@@H](NCc2cccc(B(O)O)c2)C2CC2)n1	585026038	BPRWJNYYQMULPJ-AWEZNQCLSA-N	302.208	1.372	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)nc1	832649885	RXHVBYVHOSRGMX-JHJVBQTASA-N	318.377	1.228	50	20	DDGD	
O=C(Cc1ccncc1)NN=Cc1c[nH]c2ccc(C(=O)O)cc12	833118129	KMGLZQDMBMTAKM-UHFFFAOYSA-N	322.324	1.954	50	20	DDGD	
C/C=C\C(=O)NNC(=O)c1cc(F)ccc1Br	737837046	ICJHGXUIEPPMGR-IHWYPQMZSA-N	301.115	1.925	50	20	DDGD	
C=COc1ccc(NC(=O)C(=O)NNC(=O)CC2CC2)cc1	839511418	AGNALMMHSQZAON-UHFFFAOYSA-N	303.318	1.095	50	20	DDGD	
C[C@H]1[C@@H](C)N(C(=O)[C@]2(C)C[C@H]2Br)CCS1(=O)=O	906744439	IOGJIAHQVNJOAF-PKIKSRDPSA-N	324.240	1.194	50	20	DDGD	
Cc1ccccc1[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1	584938709	NNXZNAHKNGDHJO-HNNXBMFYSA-N	309.174	1.305	50	20	DDGD	
Cc1nc2ccccc2nc1C=NNC(=O)C(=O)N1CCCC1	834947544	DCQYOQXNQVFRLW-UHFFFAOYSA-N	311.345	1.011	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)CN(C)C1CCC1	908033048	ZRYZLYYFENIOFH-UHFFFAOYSA-N	309.341	1.540	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)O)cc1Br	832957690	HZPAPHNLIZMKTJ-UHFFFAOYSA-N	309.141	1.218	50	20	DDGD	
COCCOC1CCN(C(=O)[C@]2(C)C[C@H]2Br)CC1	906722601	IXOUMVBTCISTRL-DGCLKSJQSA-N	320.227	1.814	50	20	DDGD	
CC1(C)C[C@H](c2ccccc2)N(C(=O)c2ccc(B(O)O)cc2)C1	585001686	YJGBKVYRRMRQLA-QGZVFWFLSA-N	323.201	1.980	50	20	DDGD	
CCOC(=O)C[C@H](C)S[C@@H](C)C(=O)NNC(=O)CC(C)C	734980902	CPOGPXMSWXLQMC-QWRGUYRKSA-N	318.439	1.643	50	20	DDGD	
Cc1ccc(OCC(=O)NN=C2CCCS(=O)(=O)C2)cc1	731924254	XYHFQMSNASEJHE-UHFFFAOYSA-N	310.375	1.055	50	20	DDGD	
C[C@H]1CC[C@@H](CNC(=O)NNc2ncnc3ccsc23)O1	838746456	VIQUKBZTQUBPLS-IUCAKERBSA-N	307.379	1.885	50	20	DDGD	
CNS(=O)(=O)c1ccc(C(C)=NNC(=O)C(C)(C)C)cc1	915967846	SODMROZQCJLUSP-UHFFFAOYSA-N	311.407	1.481	50	20	DDGD	
COC1CCC(C(=O)NNc2cc(O)nc3ncccc23)CC1	913990784	XWYZLBGTEGBZQB-UHFFFAOYSA-N	316.361	1.984	50	20	DDGD	
CC1(C(=O)O)CN(C(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)C1	910056600	CSVMJLYOSYAFDX-MWODSPESSA-N	316.195	1.873	50	20	DDGD	
CCn1cc(Cl)cc1C(=O)NNC(=O)Cc1cc(C)[nH]n1	911420136	OVKFHSUZGYJDEE-UHFFFAOYSA-N	309.757	1.197	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@H]1CCC[C@@H]1c1ccccc1	838646697	VYKNFDYOOYUMJY-HUUCEWRRSA-N	319.405	1.937	50	20	DDGD	
O=C(CNc1ccccc1)NN=C(CO)c1ccc(F)cc1F	749605303	OFFRBVVIHPMTRB-UHFFFAOYSA-N	319.311	1.890	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)CC(F)(F)F)CCOCC1	745930520	HXKOONPQXQPDHB-UHFFFAOYSA-N	311.304	1.476	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)C2=S=C3CCCC3=C2)o1	915947279	MXUGNAQHFXOKRL-UHFFFAOYSA-N	318.354	1.718	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NCC1(C)CCNCC1	841970090	IWJKYDLKWDESGS-UHFFFAOYSA-N	318.421	1.258	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2nn(-c3ccccc3)cc2O)CO1	842521267	HMKUAOSCBGSCJG-SNVBAGLBSA-N	300.318	1.473	50	20	DDGD	
NCC[C@H](NC(=O)NNC(=O)CC1CCCC1)C(F)(F)F	841333994	VYYHXPBBYSZROK-VIFPVBQESA-N	310.320	1.177	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)CCC1	843654885	HHIXSCPQJMMWKH-KBPBESRZSA-N	316.401	1.989	50	20	DDGD	
NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1ncc(Cl)cc1Cl	847755307	WZFSQSWOXNNZBM-BQBZGAKWSA-N	303.149	1.343	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)c1ccccc1)[C@@H]1CC1(C)C	842168512	XBAHZQYEFUWMDJ-KBPBESRZSA-N	303.406	1.862	50	20	DDGD	
C[C@@H]1CN(C(=O)/C(C#N)=C/c2cnn(C)c2)CC2(CCCC2)O1	844109438	GPXRWXXHWOOFHE-BKNIFWKGSA-N	314.389	1.887	50	20	DDGD	
Cc1cc(C)cc(C2(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)CC2)c1	843641266	BGIHMMGUYDGQBD-ZFWWWQNUSA-N	316.401	1.907	50	20	DDGD	
COc1nc2sccn2c1C=NNC(=O)c1ccccn1	744517039	XQQKPWSILXMOHK-UHFFFAOYSA-N	301.331	1.563	50	20	DDGD	
CC(C)CN1CCC[C@H](CNC(=O)NNC(=O)C2CCC2)C1	746328649	OWGLPOWKJNMPGW-CYBMUJFWSA-N	310.442	1.485	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc2c(c1)n(C)c(=O)n2C	747409045	FYJYKLHMMONEFZ-MDZDMXLPSA-N	300.318	1.259	50	20	DDGD	
O=C(NNC(=O)[C@H](c1ccccc1)n1cccn1)c1cccnc1	748697147	OHLJHRHEUHHEPW-HNNXBMFYSA-N	321.340	1.329	50	20	DDGD	
Cc1cc(NNC(=O)c2cnc3n2[C@@H](C)CCC3)nc(C)n1	846635752	UFGCEMQEQIOQIH-JTQLQIEISA-N	300.366	1.944	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1ccc(OCCC(=O)O)cc1	842560008	YLYHZEPZIHJRBQ-FZMZJTMJSA-N	320.345	1.415	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2ccc(OC)c(OC)c2)n[nH]1	914747635	AOYJBIYOEOGFBL-UHFFFAOYSA-N	318.333	1.064	50	20	DDGD	
CC[C@@H](SC)C(=O)NNc1ncc(Br)cn1	848321018	FZRAEHMKACQYBA-SSDOTTSWSA-N	305.201	1.824	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C2=CCCCO2)cc1OC	746098687	NMHSPRQAIYGBDU-UHFFFAOYSA-N	320.345	1.549	50	20	DDGD	
C[C@@H](OCC1CC1)C(=O)NNc1ncc(Br)cn1	848319709	CDRJDOBDGNUSBQ-SSDOTTSWSA-N	315.171	1.497	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)Cc2ccncc2)s1	747318941	GRPKWMFWNXGKCW-UHFFFAOYSA-N	303.343	1.349	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)[C@@H]1CC12CCCC2	747346173	WVGHFPGVKYVTRL-LBPRGKRZSA-N	312.373	1.764	50	20	DDGD	
O=C(NNC(=O)C1CCC1)NC1CCN(C2CCCCC2)CC1	747592459	LNYXIVRHRDHJJD-UHFFFAOYSA-N	322.453	1.914	50	20	DDGD	
CCc1cccc(OCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	843647629	OMKWOWIBOJXBOE-FZMZJTMJSA-N	306.362	1.200	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=C1COc2cc(O)ccc21	747636704	OVHBTKRSRWERCR-UHFFFAOYSA-N	322.324	1.495	50	20	DDGD	
Cc1cnn(CC(=O)NNC(=S)Nc2cccc(C)c2C)c1	740922143	AQPLMEZYNMCKOF-UHFFFAOYSA-N	317.418	1.826	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccc(C#N)cc2)cc(O)c1O	747053724	WZFIMYFJXNKHIH-UHFFFAOYSA-N	311.297	1.742	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccc(F)cc1	843655390	JJFONJBQXOZGFN-DDTOSNHZSA-N	308.353	1.892	50	20	DDGD	
C[C@@]1(C(=O)NNc2ncc(Br)cn2)CCCCO1	848323009	VSMJUCWJANJCEI-NSHDSACASA-N	315.171	1.641	50	20	DDGD	
CCNCCCNC(=O)NNC(=O)C(C)(C)c1ccccc1	841917159	GMMZFVDUYNDSFT-UHFFFAOYSA-N	306.410	1.294	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNC(=O)COc1ccc(C)cc1	920885090	YWZXGJMLCPFQBT-CYBMUJFWSA-N	308.378	1.726	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)O)CCC1=NNC(=O)Cc1ccccc1O	853401294	ZMNJSSKLAPHUOB-PWSUYJOCSA-N	304.346	1.928	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccccc1[N+](=O)[O-]	752738548	JYRYAYDHTSTKKG-UHFFFAOYSA-N	314.392	1.067	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=S)N[C@@H](C)C2CC2)cc(O)n1	855099091	RCEJCOIXJXKYTD-VIFPVBQESA-N	322.434	1.818	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2[nH]cnc2C)n1	755490906	SUTBRLKMOSNXFM-UHFFFAOYSA-N	304.379	1.367	50	20	DDGD	
N#CSCCCNC(=O)CCNC(=O)c1ccc(F)cc1	854362740	YTDRWCXZBKRDBF-UHFFFAOYSA-N	309.366	1.666	50	20	DDGD	
C[C@@H](C(=O)NNc1cnnn1C)c1ccc([N+](=O)[O-])cc1F	857272877	JHWAUOXRXHAUAC-SSDOTTSWSA-N	308.273	1.109	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CCCS(=O)(=O)C2)cc1F	856227881	MORGFWRSXNGCKP-SNVBAGLBSA-N	300.355	1.402	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCCOC[C@@H]1CCOC1	853711448	UXMPBZLWMNUZNB-GFCCVEGCSA-N	311.357	1.813	50	20	DDGD	
CO[C@H](CNC(=O)NNc1ncc(Cl)cn1)C(F)(F)F	856864885	QNYOKXMRLPTIOR-ZCFIWIBFSA-N	313.667	1.333	50	20	DDGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(F)cc1)[C@@H]1CN(C)CCO1	752618597	MSINANVSWGDFIZ-BMKJPTANSA-N	317.364	1.568	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)COC(F)(F)F)cc1OC	929230176	NRKBXMPSSJHNKF-UHFFFAOYSA-N	322.239	1.001	50	20	DDGD	
O=C(NCC[C@H]1CCc2ccccc21)NNC(=O)c1cn[nH]c1	858500336	BJGRSHQTFMASSL-GFCCVEGCSA-N	313.361	1.474	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)COc2ccccc2O)nc1	752817794	YTNAVTUVOVLWLA-UHFFFAOYSA-N	316.317	1.327	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NNc1ccc([N+](=O)[O-])cc1F	855622796	LTSQKCJXTZNZSK-SNVBAGLBSA-N	313.289	1.014	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NC[C@@H]1CCN(C(N)=O)C1	854432690	BJJQINWBSOEGOE-BPLGCGBFSA-N	316.336	1.249	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCc2c(Cl)cccc21	756913114	COKOPBJEDXWMBS-UHFFFAOYSA-N	309.797	1.896	50	20	DDGD	
CC[C@@H](C)CC[C@@H](O)CC(=O)NNC(=O)OCC(F)(F)F	856020393	FTIDMGPQULYRSR-RKDXNWHRSA-N	314.304	1.883	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=Cc1ccc(C#N)o1	853409027	HPYYPBVTXPAZBA-UHFFFAOYSA-N	304.350	1.544	50	20	DDGD	
Cc1ccc(NNC(=O)CCc2c(C)nc(O)nc2O)cc1F	856231155	QUKSURBSESYBDO-UHFFFAOYSA-N	320.324	1.720	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)c1ncccn1)C1CCCCC1	852385169	LLKDJUZKQKLSKI-GFCCVEGCSA-N	321.381	1.016	50	20	DDGD	
CCn1cnc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)c1	854191486	KBMHGRJGWKXPOD-UHFFFAOYSA-N	316.361	1.360	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@H]1CCO[C@@H](C(C)C)C1	935197616	DTHIYQWWMAYALS-WDEREUQCSA-N	319.496	1.296	50	20	DDGD	
COC(=O)c1c[nH]c2cc(NC(=O)NNC(=O)C(C)C)ccc12	861366134	KMMGCQRQVDEJOV-UHFFFAOYSA-N	318.333	1.763	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H](C)[C@H]1CCC(=O)N1	861514385	CDDSHWFYGMPHIL-ZYHUDNBSSA-N	304.350	1.062	50	20	DDGD	
O=C(CCCOc1ccc2c(c1)OCO2)NNC(=O)NC1CC1	765117481	GBVHZGSYXZAEEM-UHFFFAOYSA-N	321.333	1.067	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC2CC2)n(C2CCOCC2)n1	861842064	ZSAAXFJZYNOKGP-UHFFFAOYSA-N	306.366	1.104	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1cccc2[nH]ncc12	863105700	YAHXZJWABPGUFJ-UHFFFAOYSA-N	317.349	1.538	50	20	DDGD	
Cn1cc([N+](=O)[O-])cc1C(=O)NNc1ncnc2ccsc12	766673955	QZXSXKHHFIOGKE-UHFFFAOYSA-N	318.318	1.695	50	20	DDGD	
O=C(NNC(=O)[C@@]12CCC[C@@H]1C2)Nc1ccc2c(c1)OCO2	935859308	BNDXHNUZMNQRBA-RFAUZJTJSA-N	303.318	1.758	50	20	DDGD	
CCO[C@@H](CC(=O)NNC(=O)COc1cccc(C)c1)C(C)C	760265611	UZXWPFFCBAEVHV-HNNXBMFYSA-N	322.405	1.972	50	20	DDGD	
COc1ccccc1SCC(=O)NN=Cc1cncn1C	761271496	HHQYNEVDJPIRNB-UHFFFAOYSA-N	304.375	1.671	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2sccc2C(C)C)n[nH]1	869012630	YQCKWZVVDJSFNZ-UHFFFAOYSA-N	306.391	1.907	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=CC[C@H]2CCOC2)c1	765573791	RQSWUPJLESTKGQ-NSHDSACASA-N	310.375	1.232	50	20	DDGD	
CN(C)C(=O)Cn1ccc(NC(=O)NNc2ccccc2F)n1	769991637	BDOWRFTVYSFPGK-UHFFFAOYSA-N	320.328	1.259	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCC(=O)N1)c1cnc2ccsc2c1	863148736	JKQNGMGRKOHHCI-LLVKDONJSA-N	302.359	1.415	50	20	DDGD	
C[C@@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)CC(C)(C)CCl	866953868	PLCHBJGMUHTQDU-PWSUYJOCSA-N	308.875	1.654	50	20	DDGD	
CCC(=O)c1ccc(C(=O)NNc2nccc(OC)n2)cc1	760363733	XWFJZKREOGSSAK-UHFFFAOYSA-N	300.318	1.835	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccnn1CC1CCC1	865166910	FUSXDMFAALALQW-UHFFFAOYSA-N	313.361	1.082	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@H](C)CN2CCOCC2)s1	763136406	CFZXHRJOGJRQKR-LLVKDONJSA-N	311.407	1.175	50	20	DDGD	
CC(C)(C(N)=O)C(=O)NNc1ccc(OC(F)(F)F)cc1	768093314	KELSGPSLNQSADQ-UHFFFAOYSA-N	305.256	1.540	50	20	DDGD	
COC(=O)C12CC(C(=O)NNc3ccc(C(C)(C)C)nn3)(C1)C2	1118283458	CBPWDMVFWXUOGH-UHFFFAOYSA-N	318.377	1.561	50	20	DDGD	
CCOC(=O)/C=C\c1ccc(NC(=O)NN(C)CCOC)cc1	878241090	BCNMWHBLAHTSHQ-YFHOEESVSA-N	321.377	1.878	50	20	DDGD	
CN1CCCC[C@@H]1C(=O)NNc1ccnc(Br)c1	771530352	BGHHCVHXLQDXCO-SNVBAGLBSA-N	313.199	1.772	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@]1(C)CC(c2ccccc2)=NO1	874213997	MSQXLTFZPCEVIX-HNNXBMFYSA-N	304.350	1.310	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNC(=O)CNc2ccccc2)n1	878018090	RDFXSEGRWGWQOQ-LBPRGKRZSA-N	315.377	1.087	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@H](C)COc2ccccc2)cc[nH]1	875125419	NOEJZISHQQFQSL-CYBMUJFWSA-N	300.362	1.906	50	20	DDGD	
CC(C)[C@@H]1CC(=NNC(=O)Cc2cc(O)nc(S)n2)CCO1	776764138	RZGQONQANVYEEA-NSHDSACASA-N	324.406	1.321	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@@H]1CCc2ccccc21	883087410	VZPFDKLFYGYSMU-CQSZACIVSA-N	303.362	1.431	50	20	DDGD	
C[C@@H](CN(C)C)[C@@H]1CCCCN1S(=O)(=O)CCCCl	882432108	NDFZPTOVGAWYGL-STQMWFEESA-N	310.891	1.997	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)N[C@@H]1CCC[C@H](C2CC2)C1	883754090	YSELGVGPWUGWEH-NWDGAFQWSA-N	303.366	1.389	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)Cc1ccccc1CO	772830886	NXDFTYMPQPJUFA-UHFFFAOYSA-N	300.362	1.778	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@@H]1C(=O)Nc2c(F)cccc21	887154230	CSRBBQHWUWEIOY-NSHDSACASA-N	317.320	1.202	50	20	DDGD	
CC(=NNC(=O)c1nnc(O)c2ccccc12)c1coc(C)n1	788968059	SKTDLOOLWRVNJR-UHFFFAOYSA-N	311.301	1.786	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(S(=O)(=O)CC)cc1	887143420	YSJSIQVOQWZBNL-UHFFFAOYSA-N	322.386	1.045	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21)C1CCOCC1	883072519	OZKJUPHECVBGQO-RRFJBIMHSA-N	300.358	1.146	50	20	DDGD	
NC(=O)NN=C1C(=O)Nc2ccc(Br)c(Cl)c21	788016098	IUZAQFUIIOLSBQ-UHFFFAOYSA-N	317.530	1.427	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(OC)c(OC)c2)nc1	781536303	ZEESICDDFHNVNA-UHFFFAOYSA-N	303.318	1.864	50	20	DDGD	
C[C@@H]1CCCN1CCNC(=O)NC[C@]1(C)C[C@H]1Br	895921121	BBEZSXCEAAAFOA-WZRBSPASSA-N	318.259	1.943	50	20	DDGD	
COCCn1ccc(C(=O)NNc2nc3ccccc3[nH]2)n1	784787681	YYEZFXWPHWLIIX-UHFFFAOYSA-N	300.322	1.163	50	20	DDGD	
COC[C@@H](C)n1ccc(NS(=O)(=O)CCCCCl)n1	788063092	SHWJWUPRKPOZAY-SNVBAGLBSA-N	309.819	1.851	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)CN(C)C2CCC2)c1	899939178	JEUUVJDNWXTDBY-UHFFFAOYSA-N	319.405	1.314	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H](c2ccnn2C)C(C)C)nn1	788115718	XJPNARJWNWQLGZ-LBPRGKRZSA-N	317.397	1.584	50	20	DDGD	
Cc1cc(C(=O)NNc2nc3ccccn3n2)n2nc(C)cc2n1	791242247	GIZJUASQTBZZMD-UHFFFAOYSA-N	322.332	1.146	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1cnn(CC2CCC2)c1	896961515	AYYCRYSDNLRMGM-UHFFFAOYSA-N	321.425	1.950	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)NCC(F)(F)F)c1cccnc1	798315455	IHHXASZTKLWGQD-JTQLQIEISA-N	318.299	1.714	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)Nc1cccc(NC(=O)NN(C)C)c1	791277663	RSURMPNVJOVXGU-STQMWFEESA-N	306.366	1.648	50	20	DDGD	
CCc1occc1C(=O)OCC(=O)NNC(=O)c1cccs1	797488949	OQSBNVVRABQUMO-UHFFFAOYSA-N	322.342	1.522	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ncccc1Oc1ccccc1	799725565	HLLANOZFXDIDTK-UHFFFAOYSA-N	315.329	1.406	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CN(C)C(C)C)c2ccccc2n1	799009676	IGDQENKBGHECQL-UHFFFAOYSA-N	314.389	1.644	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCOc2cc(F)ccc21	794914270	GKJCDCQFRYXAJF-JTQLQIEISA-N	310.325	1.480	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2c[nH]c3cccnc23)cc1	791196396	ASAAHFMKIBHHGK-UHFFFAOYSA-N	323.356	1.744	50	20	DDGD	
CNc1snc(C)c1C(=O)NNC(=S)NC(C)(C)C	793273253	FHBKUEWPRMQORS-UHFFFAOYSA-N	301.441	1.401	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cccc([S@](C)=O)c2)n1	794085046	ZKAFHKLDPULPSF-QFIPXVFZSA-N	317.370	1.202	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC[C@@H](c2ccccn2)C1	799196229	LMPUEFYTSOEDNP-GFCCVEGCSA-N	304.394	1.064	50	20	DDGD	
CC(=O)Nc1cccc(C(C)=NNC(=O)N2CCN(C)CC2)c1	790173583	KJHOIWDALOOHEN-UHFFFAOYSA-N	317.393	1.326	50	20	DDGD	
O=C(NN=Cc1ccc2occc2c1)N[C@H]1CCS(=O)(=O)C1	794901340	LYOFYFJBFUQFFJ-LBPRGKRZSA-N	321.358	1.253	50	20	DDGD	
C[C@@H]1CSCC1=NNC(=O)c1cccc(S(C)(=O)=O)c1	794896926	MZZUGCBDFIZZCX-SECBINFHSA-N	312.416	1.559	50	20	DDGD	
CC(C)(C#N)c1ccc(C(=O)NNC(=O)N2CCOCC2)cc1	793275749	YQVVORUAEDGBTC-UHFFFAOYSA-N	316.361	1.174	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc(-n2cccn2)c(F)c1	1318530341	BJDOJBDPKIHVNT-UHFFFAOYSA-N	317.324	1.365	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1ccc(Cn2cccc2)cc1	1320134345	XRWOJOVTXASUTK-UHFFFAOYSA-N	323.356	1.263	50	20	DDGD	
CS[C@@H]1CC[C@@H](N(C)CC(=O)NNC(=O)C(C)(C)C)C1	1324185091	CYUDEQMOXOZCAB-GHMZBOCLSA-N	301.456	1.396	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Nc2cc(C)ccn2)cc1	1320140510	YELUVLXDMUEVGW-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
O=C(NN=C1COc2cc(F)ccc21)c1n[nH]c2c1CCCC2	1327800625	AYODJJCWKAOGMW-UHFFFAOYSA-N	314.320	1.954	50	20	DDGD	
COc1cc(C(=O)NNc2oc(C(C)C)nc2C#N)ccn1	1324749982	NYHNLCBJDLQKMM-UHFFFAOYSA-N	301.306	1.830	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)CO[C@H]2CCOC2)c1	1326662326	SAKFKRLHWDFYLP-ZDUSSCGKSA-N	322.365	1.029	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCc2nc(C)cs2)cc1	1324667801	RNIHCXDWMKQZFD-UHFFFAOYSA-N	319.386	1.854	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)c2ccccc2Cl)C1	1320632242	VCGZBOFEYOXGKX-ZJUUUORDSA-N	323.780	1.393	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2ccc(Cl)nc2C)ncn1	1320965404	UTPVWNLELLXEET-UHFFFAOYSA-N	320.740	1.224	50	20	DDGD	
Cc1ncc(Br)c(C(=O)NNc2cccnn2)n1	1320622273	GEXZPMHWLJPVIX-UHFFFAOYSA-N	309.127	1.094	50	20	DDGD	
CC(C)c1nnc(CCC(=O)NNC(=O)NCc2ccco2)o1	1323452306	XWKTUEJZSCWKDS-UHFFFAOYSA-N	321.337	1.249	50	20	DDGD	
Cc1nc(N)c2c(C)c(C(=O)NNc3cccnn3)sc2n1	1323762621	UWOMAJQNMPYSPP-UHFFFAOYSA-N	315.362	1.437	50	20	DDGD	
CC(=O)N1Cc2ccc(NC(=O)NNC(=O)CC3CC3)cc2C1	1337799063	ISVUXHPWOKWFGF-UHFFFAOYSA-N	316.361	1.502	50	20	DDGD	
Cc1cc(COCC(=O)NNCC(F)(F)C(F)(F)F)no1	1336045527	KIQAOBFSSKXFSA-UHFFFAOYSA-N	317.214	1.318	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)[C@H]1CN2CCN1C[C@@H]2C	1347663135	NMDMELUGMUGEHA-WCQYABFASA-N	308.813	1.480	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](C(=O)NNC(=O)c2cc3ccccc3o2)C1	1262612835	NEMXTBBCCYXJKV-PHIMTYICSA-N	316.313	1.393	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NC[C@H]2CCOC2)ccc1F	1261293875	BDVDFFQHHJXYFY-SECBINFHSA-N	311.313	1.275	50	20	DDGD	
CSCC(C)(C)C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1344609074	ASQCKKFPTWDBKG-UHFFFAOYSA-N	310.423	1.439	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CCOCC2)c(C)n1C1CC1	1350903289	NJAXWVBJCCAGHF-UHFFFAOYSA-N	305.378	1.627	50	20	DDGD	
O=C(CCc1ccccn1)NNc1ccc(C(=O)O)cc1F	1608319324	SNLRENGYLWRZOI-UHFFFAOYSA-N	303.293	1.995	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@H]2CC[C@@H]3CCCCN32)c1F	1608935630	AUARKEAGSRDOBZ-GWCFXTLKSA-N	321.352	1.984	50	20	DDGD	
O=C(O)c1cc(C(=O)NNc2cc(F)c(F)c(F)c2)on1	1602247451	SPCIMFGCJUZEAG-UHFFFAOYSA-N	301.180	1.547	50	20	DDGD	
Cc1cccc(C(=O)NN[C@H](C(=O)O)c2ccc(F)cc2)n1	1607839718	UXSAZSUUOHEGLV-ZDUSSCGKSA-N	303.293	1.589	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)/C=C\c2cc(C(=O)O)co2)n1	1608275621	NTFHAUCWJOZWOQ-UPHRSURJSA-N	323.696	1.160	50	20	DDGD	
O=C(O)CC1CC(=NNC(=O)[C@@H]2COc3ccccc3O2)C1	1601941410	RMAIDMRZDBVDSK-NCWAPJAISA-N	304.302	1.183	50	20	DDGD	
O=C(O)CC[C@@H]1CC[C@H](C(=O)NNc2cccc(F)c2F)O1	1602036452	WCIILTINJKAGIP-GZMMTYOYSA-N	314.288	1.820	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H](C(=O)NNc2cc(C(F)(F)F)ccn2)O1	1602177120	MWELTBDLEWAERZ-SFYZADRCSA-N	319.239	1.176	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H](C(=O)O)C1CC1)c1ccccc1	1603488655	OWQWOJXRQFPBEK-OLZOCXBDSA-N	304.346	1.438	50	20	DDGD	
CN(C)C(=O)CCCC(=O)NNc1ccc(C(=O)O)cc1F	1605994274	WHUPOMAPDFXKTM-UHFFFAOYSA-N	311.313	1.226	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNc1ccc(C(=O)O)c(F)c1	1606491829	PUMJXYZPCZGBKJ-UHFFFAOYSA-N	313.285	1.102	50	20	DDGD	
CN(Cc1cc(C(=O)O)no1)NC(=O)OCc1ccccc1	1606147742	OSEDDSPJMUCIPE-UHFFFAOYSA-N	305.290	1.646	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2ccc(C(=O)O)c(C)c2)n[nH]1	1600187375	WBDNPFYPAUVXQD-UHFFFAOYSA-N	300.318	1.418	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@]1(C(=O)O)CCSC1	1601045570	GAXFCMHHPRUCGG-USYSOWRXSA-N	318.354	1.376	50	20	DDGD	
O=C(O)Cn1cccc1C=NNC(=O)c1cc(Cl)ccc1O	1610800850	HBPBPUKRUFNJCL-UHFFFAOYSA-N	321.720	1.696	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cccc1C(=O)O	1610423440	HVMOWWGLFXAGIZ-KOLCDFICSA-N	321.333	1.271	50	20	DDGD	
CC(CCc1cccnc1)=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549903995	FEPWVVNIYDZJRH-HOTGVXAUSA-N	316.405	1.370	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)c1ccccc1Cl)C(=O)O	1573798093	OWJIWFBHNFLVOM-QMMMGPOBSA-N	313.741	1.395	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@H](F)[C@@H]1CCNC1)c1ccccc1	1575092638	SIJZDGIPFQQUQT-YPMHNXCESA-N	307.369	1.059	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)N[C@H]1C[C@@H](C(=O)O)C1	1574524408	NBWGECPMEBFPNV-BETUJISGSA-N	319.361	1.203	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@@H]1CN1CCC[C@H](CNC(=O)[C@H]2CCCN2)C1	1576572822	NAACNNIAJXFTEJ-JARUQAPTSA-N	313.873	1.440	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1cc(F)ccc1F	1582562651	YGHVBHWBVTUUFW-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
CC(C)(CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ncc[nH]1	1847435566	NPKSSYGHPSQDAU-QWRGUYRKSA-N	324.812	1.490	50	20	DDGD	
Cc1ncoc1C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843362670	DYDTZWOEXNRUGK-SNVBAGLBSA-N	315.732	1.334	50	20	DDGD	
O=C(NNc1ccccn1)c1c[nH]c2cccc(-c3nn[nH]n3)c12	1593166522	CORPXKXHUWAHIM-UHFFFAOYSA-N	320.316	1.500	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H](C(=O)O)C(C)C)cc1	1593854515	IYIFFVOMGJIKET-ZDUSSCGKSA-N	308.334	1.202	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)CCCCC(=O)O)cc1	1594378784	ONZLSMLJSCBUHI-UHFFFAOYSA-N	324.402	1.880	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@@H]1CCCS1	1593161112	JOLLOBIDHAAIPQ-JTQLQIEISA-N	324.797	1.859	50	20	DDGD	
C[C@@]1(C(=O)NCc2ncc(C(=O)O)s2)C[C@H]1Br	1593756042	AHNQTDTYPHNDAM-LHLIQPBNSA-N	319.180	1.631	50	20	DDGD	
Cc1cc(NC(=O)NNc2ccccn2)ncc1-c1nn[nH]n1	1592028024	JGIXAGDDGYVIPR-UHFFFAOYSA-N	311.309	1.114	50	20	DDGD	
CCn1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)n1	1597905202	VVYNNUACYHLNHT-UHFFFAOYSA-N	305.246	1.729	50	20	DDGD	
Cc1cc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cc(C)n1	1591929936	FIZBGTYFDVMCQA-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2cc(C(=O)O)co2)ccn1	1776044017	YJBNHUKMMSQTDS-UHFFFAOYSA-N	302.290	1.203	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NN=Cc1sc(CC)cc1C(=O)O	1776102121	HEEWFPNXCPNWAP-KOLCDFICSA-N	310.375	1.884	50	20	DDGD	
CC(Cc1cnn(C)c1)=NNC(=O)c1cccc(C(=O)O)c1	1776096600	JLVBNYITVFXDPD-UHFFFAOYSA-N	300.318	1.467	50	20	DDGD	
CCOCC(=O)NN=Cc1ccc(OCC(=O)O)c(Cl)c1	1776043823	BDPCYOLCERFZAF-UHFFFAOYSA-N	314.725	1.290	50	20	DDGD	
C=C1c2ccccc2C(=O)N1CC(=O)NNC(=O)CC(C)C	11678198	FUCXENAVNVACTC-UHFFFAOYSA-N	301.346	1.307	50	20	DDGD	
CN(C)c1cc(C(=O)NNc2cnc3ccccc3n2)ccn1	163441310	SEYFIAHRRGHJGW-UHFFFAOYSA-N	308.345	1.848	50	20	DDGD	
O=Cc1ccccc1OCC(=O)NNc1cccc([N+](=O)[O-])c1	151780417	RGNHHPABUPIKDW-UHFFFAOYSA-N	315.285	1.929	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1cccc([N+](=O)[O-])c1)C1CCCC1	151495344	RKIWJDOYWQNFHZ-CQSZACIVSA-N	320.349	1.733	50	20	DDGD	
CC(C)C1CCC(CNC(=O)NNC(=O)c2cnn(C)c2)CC1	152783138	VFDSRKHCGYBRET-UHFFFAOYSA-N	321.425	1.827	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2coc(-c3ccccc3)n2)[nH]n1	153300962	WFFOCYCLLQBLQS-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cnn(C)c2)ccc1[N+](=O)[O-]	153747485	BNXJCEXMSVGPPH-UHFFFAOYSA-N	318.293	1.103	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccc(OC(F)(F)F)c1	155615662	CYTHUCGAFIZHAA-UHFFFAOYSA-N	319.308	1.880	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@](C)(C(N)=O)c1cccc(Cl)c1	159817306	JSQGMEBNPQJWQR-FJVVXJACSA-N	321.764	1.601	50	20	DDGD	
CSSCCNC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O	791151060	ZKFIMXMFCREHGK-SECBINFHSA-N	324.427	1.799	50	20	DDGD	
C#Cc1cncc(C(=O)NCCSSCCC(=O)O)c1	2088603639	FLKDUZUWEHTJPK-UHFFFAOYSA-N	310.400	1.649	50	20	DDGD	
CCC1=NO[C@H](C(=O)NCCSSCCC(=O)O)C1	2088599287	BBIULRJKDZIARX-VIFPVBQESA-N	306.409	1.514	50	20	DDGD	
COC(=O)NNC(=O)c1ccccc1I	492100	UOWMTMJXSKRETK-UHFFFAOYSA-N	320.086	1.292	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)NC1CCCCC1	6298642	MCCIGIOZMDTHIO-UHFFFAOYSA-N	321.377	1.737	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C\c2cc(F)c(O)c(F)c2)n1	179421500	AUKXFHFLWRHPSR-WTKPLQERSA-N	304.256	1.950	50	20	DDGD	
C[C@@H](CCCc1ccccc1)C(=O)NNC(=O)C(=O)NC1CC1	179596618	QZTPZDXAWYFFDR-LBPRGKRZSA-N	317.389	1.071	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc(N2CCCC2)nc1	103196455	UGAYBFQDPIWPFT-UHFFFAOYSA-N	304.394	1.879	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2	103248504	SXKYHIFJCCOUQW-QJRTVWDNSA-N	308.422	1.901	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cn1cncn1)c1ccccc1	173029666	QHCAVNSELNYERI-UHFFFAOYSA-N	321.340	1.401	50	20	DDGD	
CCc1nc(CC(=O)NNC(=S)N[C@H](C)C2CC2)cs1	175546349	RDRMSXHGYYMTNI-MRVPVSSYSA-N	312.464	1.542	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)CC[C@@H]2CCOC2)c1	177610091	ZTGNMRQFZOXXPM-CQSZACIVSA-N	320.389	1.646	50	20	DDGD	
C=CC[C@@H](C)NC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	116959170	NAIXKNOYOFCYOT-GFCCVEGCSA-N	313.361	1.781	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2ccc(OC)c(F)c2)n1	174492560	MQVZNTYRVLGQPW-UHFFFAOYSA-N	320.324	1.627	50	20	DDGD	
Cc1nc(-c2cccs2)sc1C(=O)NNC(=O)CN(C)C	113426845	FBRVXCZNHQKMKI-UHFFFAOYSA-N	324.431	1.503	50	20	DDGD	
O=C(NNS(=O)(=O)C[C@H]1CCCO1)c1cc2ccccc2o1	174986564	FGEDNCVHXXGKRH-LLVKDONJSA-N	324.358	1.176	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NNc1cc(F)c(F)cc1F	115719557	YSOGWJYZVAXGKX-UHFFFAOYSA-N	310.297	1.372	50	20	DDGD	
C[C@H](CCc1ccccc1)NC(=O)NNC(=O)c1cnn(C)c1	117955231	USUNOYVHVZXONP-GFCCVEGCSA-N	315.377	1.385	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCCCCC#N	171450527	NYKLYKIZWFYYSH-NSHDSACASA-N	322.340	1.617	50	20	DDGD	
C[S@](=O)c1ccc(C(=O)NNC(=O)CC2CCCC2)cc1	175842513	XLKSATXASNBAHP-NRFANRHFSA-N	308.403	1.765	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CC2(O)CCCC2)c1	118753397	AXDLPLLBCOQBOO-UHFFFAOYSA-N	306.362	1.216	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(-c2ccco2)[nH]c1=O	123773563	FYAONZTZQSRSJQ-UHFFFAOYSA-N	303.318	1.442	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1ccc(C(F)(F)F)nn1	123972969	BSUUWKXHVMXSGM-QMMMGPOBSA-N	322.287	1.380	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)COc1ccc(C#N)cc1)C1CCC1	127778622	LDTVVVFFQLMGRB-NSHDSACASA-N	316.361	1.456	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1ccc(-n2cccn2)cc1	183508970	OBJKOYQXBOFOIL-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NC[C@H](c1ccc(F)cc1)N(C)C	127531681	PUPRTSKAQJAMMF-NRMKIYEFSA-N	305.353	1.989	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C1(CCOC)CC1	126898887	WLECGVGKGMEZML-UHFFFAOYSA-N	320.389	1.592	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCCNC(=O)c1ccco1	185114489	JBYVDSFQFCQOFF-UHFFFAOYSA-N	320.324	1.783	50	20	DDGD	
CC(=O)N(C)CC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	73520939	HSAPWFGFLVGTAC-VIFPVBQESA-N	323.418	1.112	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCCO2)NC1CCCCC1	42084320	KSPVLXFMPDQRPS-UHFFFAOYSA-N	319.361	1.735	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCC(=O)N1CCCCC1	182624397	YJYGMCQBVIWVSD-GXDHUFHOSA-N	315.348	1.861	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H](C)N2CCc3ccccc32)n1	139627691	QJTUCVWWTDMNLU-ZDUSSCGKSA-N	311.389	1.988	50	20	DDGD	
N#CCc1ccc(NC(=O)NNc2nc3ccccn3n2)cc1	191983102	RJCBYKZQLDQDAZ-UHFFFAOYSA-N	307.317	1.944	50	20	DDGD	
CCOCCCNC(=O)NNC(=O)Cn1ccc2ccccc21	195080381	XEKBYPHQTTWURH-UHFFFAOYSA-N	318.377	1.398	50	20	DDGD	
CCCn1cc(NC(=O)C(=O)NNc2ccc(F)cc2F)cn1	131357527	HAVHCBSAFYESRX-UHFFFAOYSA-N	323.303	1.653	50	20	DDGD	
O=C(CCOCC(F)(F)F)NNc1nc2ccccn2n1	191914858	NLFBFEHMMHSUMW-UHFFFAOYSA-N	303.244	1.141	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1	193464384	QQHWCKOBCFOPID-UHFFFAOYSA-N	300.233	1.174	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)/C=C\c2ccco2)cn1	255845189	OGFQLFCTEZFEMU-WAYWQWQTSA-N	318.358	1.714	50	20	DDGD	
C[C@H]1CC/C(=C\C(=O)NNC(=O)c2ccc3c(c2)OCCO3)C1	267835806	FVPKHBCLQLNPEZ-UTEVDWOZSA-N	316.357	1.965	50	20	DDGD	
C[C@H]1CN(CCCNC(=O)NN(C)c2ccccc2)C[C@H](C)O1	264122629	MRCHHODXKHBQSR-GJZGRUSLSA-N	320.437	1.836	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C2CCC2)cnn1-c1ccccc1F	264701612	JSIBPOQDRAZNDT-UHFFFAOYSA-N	316.336	1.881	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cc2ccccc2o1)[C@H]1CCOC1	267334320	FYSZRRCRJXVOSM-JQWIXIFHSA-N	317.345	1.802	50	20	DDGD	
COc1ccc(NC(=O)NC(=O)CN2CC=C(C#N)CC2)cc1	272647195	MJULNKLTGXFDMY-UHFFFAOYSA-N	314.345	1.499	50	20	DDGD	
CSSCCNC(=O)N1CCCN(C(=O)C2CC2)CC1	368502853	IKYJHUUDVLQOPZ-UHFFFAOYSA-N	317.480	1.652	50	20	DDGD	
Cc1c(C(=O)NNC(=O)OC(C)(C)C)nnn1CC1CCCC1	278867170	BKRPQBKLBWZDKK-UHFFFAOYSA-N	323.397	1.946	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)c3ccncn3)cc2C1	275093812	CXIYLZAWAZIFPM-VIFPVBQESA-N	316.386	1.738	50	20	DDGD	
O=S(=O)(CBr)N1CC[C@H](Nc2ccccc2)C1	368467885	SXRGYSYWLVWKND-NSHDSACASA-N	319.224	1.855	50	20	DDGD	
CC(C)n1cnc(C(=O)NNc2nc(-c3ccncc3)no2)c1	366976572	YVVRJDDYXKUUDP-UHFFFAOYSA-N	313.321	1.666	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2CN(C)Cc3ccccc32)nn1	366955948	VKUVVMVGJYONCY-AWEZNQCLSA-N	312.377	1.598	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CC(C)C)cc1-n1cnnn1	273347460	SFJOFMSFRNKLMO-UHFFFAOYSA-N	317.353	1.170	50	20	DDGD	
CC[C@@H]1C[C@H](C(=O)NNc2ccc(C(=O)OC)cn2)CCO1	272710523	XNJITKQLILQKOB-ZYHUDNBSSA-N	307.350	1.517	50	20	DDGD	
CCC[C@@H](C(=O)NNC(=O)N1CCN(C)CC1)c1ccccc1	278637216	NPUGQLFVPFKABH-OAHLLOKOSA-N	318.421	1.559	50	20	DDGD	
COC(=O)[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C1CC1	278851114	ATYXNSVNNATGLE-ICDLMJIXSA-N	300.314	1.367	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)CSc1ccccc1O	280408868	IYAPBDLNYFYOMQ-AWEZNQCLSA-N	312.391	1.447	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)c1	282543650	CIGSWLQUSLKECA-YWPYICTPSA-N	306.362	1.335	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NCCC1(O)CCC1	285609852	XYYRJAOLUDBYQP-UHFFFAOYSA-N	319.405	1.645	50	20	DDGD	
CC(=O)N[C@H](CC1CCC1)C(=O)NNc1nnc(C2CC2)s1	280109741	FCHAAFAJQQECIO-LLVKDONJSA-N	323.422	1.554	50	20	DDGD	
C[C@H](C(=O)NCC(Cl)Cl)n1nnc(-c2ccccc2)n1	288174230	IRKGETALMYXIFE-MRVPVSSYSA-N	314.176	1.821	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1ccc2oc(=O)[nH]c2c1	287482796	SDBBOPJFZPBBNU-UHFFFAOYSA-N	303.318	1.462	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)CC[C@H]2CCCO2)cc1	298290013	LHDALPGHQGKUOK-CYBMUJFWSA-N	317.345	1.044	50	20	DDGD	
C[C@@H](C(=O)NN=c1cc[nH]cc1)n1ccc2ccccc2c1=O	807211320	NVAFGNYGJVCOAO-LBPRGKRZSA-N	308.341	1.523	50	20	DDGD	
O=C(NNc1ccncn1)[C@H]1CCCCN1Cc1ccccc1	295438525	KDXBPNBFMKBGIJ-OAHLLOKOSA-N	311.389	1.974	50	20	DDGD	
COc1ccc(OC)c(CC(=O)NNc2ncccc2F)c1	804218062	NFNJSVRCBCIDLS-UHFFFAOYSA-N	305.309	1.924	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1cc(F)c(C)cc1F	294772493	RDDLVUZAOSLFDY-UHFFFAOYSA-N	315.320	1.183	50	20	DDGD	
Cn1ncc(C(=O)NNc2cccc(F)n2)c1Br	804771535	BRUGSVNKNQNCNY-UHFFFAOYSA-N	314.118	1.474	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)C(F)=C1CCCC1	804956675	CNQWQDPSRGXVHZ-UHFFFAOYSA-N	302.313	1.903	50	20	DDGD	
COCCCONC(=O)NNC(=O)Nc1cccc(Cl)c1	297571240	BWNJDKRIWSOAKO-UHFFFAOYSA-N	316.745	1.644	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C1CCC[C@H]1CCCF	800814159	JZZBEOMAJFAPJN-LBPRGKRZSA-N	320.368	1.833	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@@H](CC)NC(=O)OC(C)(C)C	297079627	YJXFBDONYYHROV-HCRIHEDKSA-N	311.382	1.850	50	20	DDGD	
COC(=O)N(C)NC(=O)COc1ccc2c(C)cc(=O)oc2c1	804125639	ZGYKMVXKSJWROQ-UHFFFAOYSA-N	320.301	1.210	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)CC(C)(F)F	292409581	ULLXEPCMAXKAKQ-UHFFFAOYSA-N	321.349	1.425	50	20	DDGD	
CC(C)Cn1ncc(NC(=O)NNC(=O)CN(C)C)c1C1CC1	806817972	NAMMBQDCOITGQJ-UHFFFAOYSA-N	322.413	1.131	50	20	DDGD	
CCOc1ccc(/C=C/C(=O)NNC(=O)N(C)C)cc1OC	299382320	OHBSIKDHTJFEPT-VQHVLOKHSA-N	307.350	1.410	50	20	DDGD	
N#Cc1ccc(NNC(=O)C[C@H]2CCCC(=O)N2)cc1Cl	290348739	FYLWXJQPHVFJNO-SNVBAGLBSA-N	306.753	1.714	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)Nc2ccc(OC)cc2)nn1	802057002	JKTHOSMJYUCCJY-UHFFFAOYSA-N	318.337	1.163	50	20	DDGD	
C[C@H](Oc1ccc(C=NNC(=O)[C@H]2CCCS2)cc1)C(=O)O	819820046	SJMYKWFWTNRBQX-GXFFZTMASA-N	322.386	1.884	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)C(=O)Nc2ccc(C#N)cn2)c1	815588260	IJPYOHKFTNKYBR-UHFFFAOYSA-N	309.329	1.652	50	20	DDGD	
COC(=O)c1cc(C(=O)NNC(=O)CCc2ccccc2)c[nH]1	815187359	WMFBWTIOUSQNSW-UHFFFAOYSA-N	315.329	1.195	50	20	DDGD	
C[C@H]1CC(=NNC(=O)COc2ccccc2O)CC[C@@H]1C(=O)O	814953977	XVSXOQKXIURIIL-JQWIXIFHSA-N	320.345	1.764	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2cc(C(=O)O)c(C)cc2C)n[nH]1	814876210	NLQKJVPBZRFIJW-UHFFFAOYSA-N	300.318	1.797	50	20	DDGD	
Cc1ccc(-c2cnc(CCC(=O)NNc3nc[nH]n3)o2)cc1	816633116	OGWJXNHWSPVAKM-UHFFFAOYSA-N	312.333	1.844	50	20	DDGD	
CCc1nn(C)c(OC)c1C=NNC(=O)Cc1ccncc1	814863882	GVQBINCMUNAPCS-UHFFFAOYSA-N	301.350	1.079	50	20	DDGD	
CN1CCN(C(=O)NN=C2CC(C)(C)Oc3ccsc32)CC1	814912768	AMIPJMFMGVXVMT-UHFFFAOYSA-N	322.434	1.970	50	20	DDGD	
O=C(O)CC1(CC(=O)NNC(=O)c2ccc(O)cc2)CCCC1	814325032	FKBAKCGMWNTGJZ-UHFFFAOYSA-N	320.345	1.578	50	20	DDGD	
O=C1CC(C(=O)NNc2cccnn2)(c2cccc(Cl)c2)C1	810422119	DAODISPNRMFHTO-UHFFFAOYSA-N	316.748	1.874	50	20	DDGD	
Cc1cc(CN)cc(NC(=O)NNC(=O)[C@H]2CCCCO2)c1	818635647	PVNCBSVKHOWOKQ-CYBMUJFWSA-N	306.366	1.176	50	20	DDGD	
Cn1nncc1NNC(=O)CCc1nc(-c2ccsc2)no1	816771182	BGQRSPZKUXYTTM-UHFFFAOYSA-N	319.350	1.003	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CCc1cncs1	814411842	ZVJQOXJYGYZMJI-UHFFFAOYSA-N	303.387	1.774	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)c2cnn(C)c2)ccnc1Cl	810288803	APZJYHHEXUVZKH-UHFFFAOYSA-N	308.729	1.243	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C(C)c1csc(N)n1	812382971	RULTYKNBYWFACE-UHFFFAOYSA-N	319.390	1.686	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccnc(-c2ncc[nH]2)c1	814195995	NJDMKMKWAJSJHV-UHFFFAOYSA-N	303.322	1.641	50	20	DDGD	
O=C(NNc1ncncc1F)c1cccc(C2OCCO2)c1	817081166	UGYGSFPNEXRMLG-UHFFFAOYSA-N	304.281	1.418	50	20	DDGD	
COCCOc1ncccc1C(=O)NN(C)c1ccccc1	726981462	UQPJCJIJUKHEBJ-UHFFFAOYSA-N	301.346	1.888	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cn1	826187171	CWVKJMFQLXDGIA-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCC1CCN(C2CC2)CC1	496323632	ISNPVCCCELDUOJ-UHFFFAOYSA-N	312.414	1.600	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(C(=O)OC)cc2F)n(C)n1	823479216	DOGLOVBTICNAFA-UHFFFAOYSA-N	320.324	1.665	50	20	DDGD	
Cc1nc(O)c(C(=O)NN(C)[C@H](C)CO)cc1-c1ccccc1	823947039	RWGHQJGXUREPSZ-LLVKDONJSA-N	315.373	1.720	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C	496865468	RAQZFVMXFQBMFD-QWRGUYRKSA-N	315.414	1.729	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccccc1Cl	728437025	WIRPGGRJPDZTIY-SECBINFHSA-N	317.798	1.118	50	20	DDGD	
CCC1(C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCOCC1	825165071	RJBVIRCHWWLZES-UHFFFAOYSA-N	316.365	1.517	50	20	DDGD	
CCOC(=O)NNC(=O)Cc1ccc(-n2nc(C)cc2C)cc1	490576294	NWBASPXWPGJPJF-UHFFFAOYSA-N	316.361	1.809	50	20	DDGD	
COC(=O)NN=Cc1cccc(I)c1	495605945	WVOAJWYQQVNCBK-UHFFFAOYSA-N	304.087	1.981	50	20	DDGD	
COC(=O)N(C)NC(=O)CCOCC(F)(F)C(F)(F)F	495823151	MITKMCFTWYXGPP-UHFFFAOYSA-N	308.203	1.320	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc(-c2nn[nH]n2)c1)C1CCC1	824499681	RAUAMVXFQYAIBZ-SECBINFHSA-N	301.354	1.681	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21)c1ccccc1	906641263	DUWOHAOWLFZTJX-NZBPQXDJSA-N	300.358	1.553	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1cnn(CC2CCC2)c1	901196195	MEAGAADHVKSWIT-UHFFFAOYSA-N	300.366	1.571	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cn2ccccc2n1	826447595	MRQQWGSLIZOUAZ-UHFFFAOYSA-N	320.316	1.271	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(Oc2ccccc2)ccn1	823865356	ONLXSEBTXMAPFX-UHFFFAOYSA-N	301.346	1.833	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C/c2ccccc2-c2nn[nH]n2)n1	826363367	JIEBRNQNPMWEJH-DHZHZOJOSA-N	320.316	1.146	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1cccc(O)c1	826993386	OAZHRZPRXURMID-BREBYQMCSA-N	307.350	1.209	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cccc(F)c1F	826446848	BBXCWBLQXANBRZ-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
CCNC(=O)C(C)(C)CNC(=O)[C@]1(C)C[C@H]1Br	907083797	DLLJEBUFKOCLJG-PRHODGIISA-N	305.216	1.438	50	20	DDGD	
C[C@H](CN(C)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccccc1	827306070	CMHGPLVAMDXGFQ-VNHYZAJKSA-N	319.405	1.888	50	20	DDGD	
CN(CC1(O)CCOCC1)C(=O)[C@]1(C)C[C@@H]1Br	907595000	NRWLFNDPZYFMJU-GXSJLCMTSA-N	306.200	1.160	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc(C2CCC2)cc1	496006659	VXIUYLHDQGLNLE-UHFFFAOYSA-N	305.334	1.670	50	20	DDGD	
CCOC(=O)N1CCN(C(=O)[C@@]2(C)C[C@@H]2Br)CC1	905062504	VLHOTKNOHRVYPG-CABZTGNLSA-N	319.199	1.461	50	20	DDGD	
O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cccc(B(O)O)c1	584926558	SGGQORBTMJOVMB-WOSRLPQWSA-N	301.195	1.455	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H]2CCC3(CCCCC3)O2)cc1	585037948	OMNGOOGJZMPXGW-INIZCTEOSA-N	303.211	1.338	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCc2c(O)ncnc2C1	491087700	XPFCQERKZCUUPN-GHXNOFRVSA-N	324.315	1.813	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CCO[C@@H](C)C2)c(F)c1	837207928	SJBPSJLPNFAUQS-VHSXEESVSA-N	310.325	1.871	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)/C=C/[C@@H]2CCOC2)c1	493420567	ODQORCHFBXNHEJ-NNNHXZLVSA-N	303.362	1.106	50	20	DDGD	
CC(=O)N[C@H](CCC(C)C)C(=O)NNc1ncncc1Cl	832671250	DRKJBDMYDFTGGU-LLVKDONJSA-N	313.789	1.514	50	20	DDGD	
C[C@]1(C(=O)NNc2ccc(C(F)(F)F)nn2)CCCCO1	837499526	UULIQLSFMZNUPZ-LLVKDONJSA-N	304.272	1.898	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc2scnc2c1	831406885	WGOJBHCLSNIYOE-WPRPVWTQSA-N	320.374	1.874	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNc2ccccc2[N+](=O)[O-])CC1=O	839484105	CKJXBHBAYCCLML-JTQLQIEISA-N	306.322	1.296	50	20	DDGD	
Cc1ccc(C2=NO[C@@H](C(=O)NNC(=O)CC3CC3)C2)cc1	908447834	IPAYHOSJXVPWRL-CQSZACIVSA-N	301.346	1.436	50	20	DDGD	
CC(C)N(CC(=O)NNC(=O)c1ccc(F)cc1)C1CCC1	839522734	ZOSDJBLFDVAYHA-UHFFFAOYSA-N	307.369	1.850	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@@H]2C[C@H]2C(=O)O)c1	738602955	GZAHHOLNOSGSHV-HTQZYQBOSA-N	311.338	1.172	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1ccc(O)cc1O	737637241	UGQXJRMRRVYECG-UHFFFAOYSA-N	316.313	1.076	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)cc1F	909359072	FXSHKJMNZRDFLE-ZWKOPEQDSA-N	306.293	1.281	50	20	DDGD	
CN(Cc1ccc(NCc2ccccc2B(O)O)cc1)C1CC1	585046820	CBPXJKWHMHHDAY-UHFFFAOYSA-N	310.206	1.573	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2cccnc2)c(O)c1	735516402	NEVRXDNMJSMJDR-LLVKDONJSA-N	315.329	1.324	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cn1)c1cccc([N+](=O)[O-])c1	735989361	IZDNQCGTSZXWQG-UHFFFAOYSA-N	320.692	1.718	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)C2(C(=O)O)CC2)c1C	738310740	OZYNOKXHDFLHJR-LLVKDONJSA-N	320.345	1.083	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)C[C@@H](C)c1cnn(C)c1	839704896	AEIOTMOXEFOKTJ-CYBMUJFWSA-N	314.389	1.612	50	20	DDGD	
Cc1nc(C)c(C=NNC(=O)c2ccnc(N(C)C)c2)s1	736430735	GEIXOIMHJWXCRC-UHFFFAOYSA-N	303.391	1.985	50	20	DDGD	
CCC[C@H](c1ccccn1)N(C)C(=O)c1cccc(B(O)O)c1	584942374	UHMMWSJZSUILLQ-MRXNPFEDSA-N	312.178	1.375	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCc1cccc(Br)c1	910180521	LECJTJMYAPNPDZ-SNVBAGLBSA-N	315.211	1.726	50	20	DDGD	
CN1CCCC[C@@H]1C(=O)NNC(=O)CCCc1ccccc1	732285002	MKLYFYXMLWBTIY-OAHLLOKOSA-N	303.406	1.641	50	20	DDGD	
COc1ccc(C=NNC(=O)c2cnccn2)c(OC(F)F)c1	734093270	YCPRASFUGMJIJD-UHFFFAOYSA-N	322.271	1.851	50	20	DDGD	
CCN(CC)C[C@@H](C)NC(=O)NNC(=O)c1ccccc1OC	731542418	CLVOBNGEJIZHBM-GFCCVEGCSA-N	322.409	1.370	50	20	DDGD	
O=C(NCC(F)(F)F)NN=Cc1cc([N+](=O)[O-])ccc1O	917553664	PMRBCRHWCPEGGT-UHFFFAOYSA-N	306.200	1.496	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)cc1F	837050216	GRLIDUWPAPABDQ-IRUJWGPZSA-N	308.309	1.623	50	20	DDGD	
C[C@H](OC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)OC(C)(C)C	837970688	GLCAEFBFOYNVIP-PQTFEYQYSA-N	305.334	1.600	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)c1F	837060950	JKIAPRBDVOJJDS-XTWCZFFVSA-N	308.309	1.480	50	20	DDGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1cnn2cccnc12	740137838	JYNAMZVZZWFDAT-UHFFFAOYSA-N	322.250	1.900	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12	916362006	GXFNVYRFPFSQRW-OWYFMNJBSA-N	319.449	1.883	50	20	DDGD	
CC[C@H](Nc1ccccc1)C(=O)NNc1nccn(C)c1=O	747942206	OKVMVVGSDYACSL-LBPRGKRZSA-N	301.350	1.114	50	20	DDGD	
NC1CCC(NC(=O)NNC(=O)Cc2ccc(Cl)cc2)CC1	841945706	UQMGFMNKWJDDGG-UHFFFAOYSA-N	324.812	1.483	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CCCOc2ccccc21	740762602	YXFFZQLJBMOJEL-UHFFFAOYSA-N	317.389	1.984	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccoc1Br	843657762	RUSKMTFRWKLANM-NKWVEPMBSA-N	317.139	1.228	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@@H](C[C@@H]1CCCO1)C(F)(F)F	845894737	IKGOQTKMWKUKGM-DTWKUNHWSA-N	322.262	1.806	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1c(F)cccc1F	743447637	KUZUFTAPXUSOOF-UHFFFAOYSA-N	322.271	1.249	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NC1C[C@@H](C)C[C@H](C)C1	748629828	DOWPCQQZWBLCDW-SDDRHHMPSA-N	315.414	1.193	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1c(C)nn(C(C)C)c1C	748260453	TZFRQGKQUGLULL-CQSZACIVSA-N	324.425	1.973	50	20	DDGD	
O=C(O)Nc1ccccc1C(=O)NNC(=O)NCc1ccco1	740045842	NLHCEWBXGYXLIP-UHFFFAOYSA-N	318.289	1.514	50	20	DDGD	
COc1ccc(CCC(=O)NN=C[C@H](OC)[C@H]2CCOC2)cc1	841620873	LZIHEWTVYMIPFK-HOCLYGCPSA-N	320.389	1.781	50	20	DDGD	
C[S@](=O)c1ccc(C(=O)NNC(=O)NC2CCCCC2)cc1	849202740	OBOUBBQDRQXZPZ-QFIPXVFZSA-N	323.418	1.701	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1c[nH]nc1-c1ccc(Cl)s1	910159485	IHJCIGBINNVYMA-ZETCQYMHSA-N	314.798	1.749	50	20	DDGD	
COc1ccc2c(c1)[C@H](C(=O)NNC(=O)[C@H]1CCO[C@H]1C)CC2	843656125	MCIXBWKBXZWZLY-LEWSCRJBSA-N	318.373	1.297	50	20	DDGD	
COCCOCC(C)=NNC(=O)Cc1nc2ccccc2n1C	741161590	AQPGTAGTLYPLKM-UHFFFAOYSA-N	318.377	1.271	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC2CC2)ccc1N1CCOCC1	843897398	WQEFRHYSVMPVMR-UHFFFAOYSA-N	317.389	1.393	50	20	DDGD	
COCCOc1ncccc1CNC(=O)NNc1ccccn1	916510367	HADQTHNABILVRP-UHFFFAOYSA-N	317.349	1.328	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCc1ccco1)C1CCC(O)CC1	841385561	WIBBGBUGHRHFMJ-UHFFFAOYSA-N	323.393	1.687	50	20	DDGD	
CC[C@H](Oc1ccccc1C)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843656517	YKZURZVHXHQXDC-MCIONIFRSA-N	320.389	1.725	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)CN1CCCC1=O)c1ccccc1	913731407	HHIZASIOWHICIK-MRXNPFEDSA-N	317.389	1.196	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CCc1nnc(-c2ccsc2)o1	745139841	RYWWGHNAOYYSGH-UHFFFAOYSA-N	323.378	1.470	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)NC1CC2(CCC2)C1	846725697	NQXIPOHMIBVQKB-UHFFFAOYSA-N	313.365	1.621	50	20	DDGD	
CC(C)c1ccc([C@@H](N)CNC(=O)NNc2cccnn2)cc1	841934532	ZGHWJMILVIWFHW-AWEZNQCLSA-N	314.393	1.926	50	20	DDGD	
CCCNC(=O)NNC(=S)N[C@H]1CCOc2ccccc21	741497764	ZWAJTZDZUNJRNX-NSHDSACASA-N	308.407	1.599	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc2ncccc2c1)C1CCCC1	741648512	KFPMRHMXUHGIQZ-UHFFFAOYSA-N	319.386	1.735	50	20	DDGD	
CN(C)[C@@]1(CNC(=O)NNc2cccc(C#N)c2)CCSC1	748645762	AKYFSYBOVRFBFZ-OAHLLOKOSA-N	319.434	1.622	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)Cc2ccc(F)cc2)CS1	840420306	ZLSKYBMJHAUUPQ-SKDRFNHKSA-N	311.382	1.593	50	20	DDGD	
COCCCOc1cccc(C(=O)NNC(=O)C2CC2)c1C	929230653	YNBCMAVTYKCDQW-UHFFFAOYSA-N	306.362	1.581	50	20	DDGD	
CC(C)(C)OCCCNC(=O)NNc1ncncc1Cl	852551158	NJKZWBYWMYLNTA-UHFFFAOYSA-N	301.778	1.961	50	20	DDGD	
C[C@@H]1CCC[C@@H](OCC(=O)NNC(=S)NCC2CCC2)C1	855091168	DXEXYEDFGYCRFC-DGCLKSJQSA-N	313.467	1.877	50	20	DDGD	
C[C@H](C(=O)NNc1ncccn1)c1ccc(S(C)(=O)=O)cc1	753287815	UOQAKXFKFGIEQL-JTQLQIEISA-N	320.374	1.127	50	20	DDGD	
CC(C)CN1CC[C@@H](CNC(=O)NNc2ccc(F)cn2)C1	756983755	KACNQCPZRWMPTR-LBPRGKRZSA-N	309.389	1.825	50	20	DDGD	
CN1CCc2cc(C(=O)NNC(=O)OCC(F)(F)F)ccc21	856022630	JCCOISGUPQJYRQ-UHFFFAOYSA-N	317.267	1.612	50	20	DDGD	
O=C(NNc1cc(F)cc(Cl)c1)[C@H]1CC(=O)N(C2CC2)C1	855619533	PMZVKDDNYBVIMP-QMMMGPOBSA-N	311.744	1.933	50	20	DDGD	
COCC[C@H](Cc1ccco1)NC(=O)NNC(=O)c1ccc[nH]1	753277646	DIILWLJQYIMSFZ-LLVKDONJSA-N	320.349	1.200	50	20	DDGD	
COC[C@H](NC(=O)NNc1ccc(C)c(F)c1)[C@@H]1CCCO1	854028187	JKYFCELZRLOZLP-KBPBESRZSA-N	311.357	1.954	50	20	DDGD	
C[C@H](C(=O)NNc1cc(F)cc(Cl)c1)N1C(=O)CCC1=O	855619515	OIYKPTWMNFTMDI-SSDOTTSWSA-N	313.716	1.460	50	20	DDGD	
C[C@H](CN1CCCCC1)NC(=O)NNc1ncc(Cl)cn1	856839140	YNWLDCKAYRNIBB-SNVBAGLBSA-N	312.805	1.631	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NNC(=O)NCC2CC2)C1	751372527	SKAJTDAKFNRMQP-WCQYABFASA-N	324.425	1.012	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CNC(=O)CC1CCCC1	750864825	FSZGQOLZYZCOHY-UHFFFAOYSA-N	317.389	1.453	50	20	DDGD	
COCC(=NNC(=O)NCCNC(=O)OC(C)(C)C)C1CC1	754256611	BZPSCMURNUEERI-UHFFFAOYSA-N	314.386	1.223	50	20	DDGD	
Cc1nn(-c2ccccc2)cc1C=NNC(=O)c1c[nH]nc1C	755730658	MRJRZHPUOPUPRV-UHFFFAOYSA-N	308.345	1.976	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CC(=O)N(C(C)C)C2)c1	858283360	HPMCYGCISRNJOP-SNVBAGLBSA-N	324.406	1.010	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=Cc1cnc(C)n1C	853265868	LAWDIILQOMYEBN-UHFFFAOYSA-N	316.361	1.656	50	20	DDGD	
O=C(CC[C@@H]1CC1(Cl)Cl)NNC(=O)c1ccncc1	854118503	IRCJVWOZOQHBCB-SECBINFHSA-N	302.161	1.817	50	20	DDGD	
COCC[C@@H]1CCCC1=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	853390147	NAANUKDEEWSIDW-GUTXKFCHSA-N	309.410	1.158	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc2ccc(OC)cc2nc1C	854926893	OLFKNCPBIKFYJX-UHFFFAOYSA-N	318.402	1.633	50	20	DDGD	
Cn1cc(N2C[C@H](C(=O)NNc3ccc(F)cc3)CC2=O)cn1	858279531	HNECHHZNFYMVRO-SNVBAGLBSA-N	317.324	1.055	50	20	DDGD	
COc1cccc2c1CCC2=NNC(=O)CN1CCCC1=O	759649201	VRNSPEMZCIRWGI-UHFFFAOYSA-N	301.346	1.084	50	20	DDGD	
CCOC(=O)[C@@H]1NCC[C@@H]1NC[C@]1(C)C[C@H]1Br	857253523	ODFVRZZZAZOKNH-XNDJQWLSSA-N	305.216	1.043	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2nccn2C(C)C)cc1	853281184	WUSKFUGCQXSRAO-UHFFFAOYSA-N	313.361	1.861	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN([C@H]2CCC(=O)NC2=O)C1	852524717	NTFZXHLGNQYEBF-NEPJUHHUSA-N	312.486	1.888	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)Cc2cn3ccccc3n2)CN1C1CC1	753959495	JURGPWHRZMQCBO-GFCCVEGCSA-N	311.389	1.606	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@@H]2CCCN2C(C)C)o1	931120090	FMSNZAUUAUMANG-LBPRGKRZSA-N	305.382	1.986	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2cc(F)ccc2OC(F)F)N1	863151239	IYMGFZVPRAGHQF-VIFPVBQESA-N	315.251	1.156	50	20	DDGD	
N#Cc1cnn(C(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)c1N	869368324	INHNGIQIGGIJCC-QOSJWCAFSA-N	309.167	1.931	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1C(F)(F)F	863146025	SLNJEACMXFYUJG-LLVKDONJSA-N	313.279	1.824	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2nccnc2OC)cc1	764470307	XOYZZGLCDKOFBB-UHFFFAOYSA-N	302.290	1.029	50	20	DDGD	
CCS(=O)(=O)N[C@@H](C)C(=O)NNc1cccc(F)c1Cl	862507985	MFTZNNOJRYBXQX-ZETCQYMHSA-N	323.777	1.250	50	20	DDGD	
O=C(CC1CC1)NNC(=O)NC1(C(F)(F)F)CCOCC1	932296642	MELDHVHGRNNISJ-UHFFFAOYSA-N	309.288	1.228	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@H](C(F)(F)F)C1	761047800	XBCNQULYECYMBN-ZJUUUORDSA-N	309.332	1.453	50	20	DDGD	
O=C(NCCCC[C@H]1NC(=O)OC1=O)OCc1ccccc1	59340248	HLLIDIRDRPSCHN-GFCCVEGCSA-N	306.318	1.718	50	20	DDGD	
CC[C@H](C)Oc1cc(C(=O)NNC(=O)c2cn[nH]c2)ccn1	862470468	FYFIEEAGWRUEPL-VIFPVBQESA-N	303.322	1.057	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@H]2CCC(=O)[C@@H](C)C2)n1	764655969	PWRMHNVVONLJSA-RYUDHWBXSA-N	319.409	1.771	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CN(C)C1CCC1	863852534	LZHWGGXDWUSDGT-NSHDSACASA-N	323.368	1.225	50	20	DDGD	
CCn1nc(C(=O)NN=C(C)[C@H](C)OC)c2ccccc2c1=O	763142574	XRTUJZOMONSYGK-NSHDSACASA-N	316.361	1.557	50	20	DDGD	
Cc1nnc(NNC(=O)c2ccc3sccc3c2)nc1O	761019625	BEDMAAKUVMDUNB-UHFFFAOYSA-N	301.331	1.857	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCc1cn[nH]c1	863852545	MGVUSPRBUYOVHY-JTQLQIEISA-N	320.324	1.096	50	20	DDGD	
O=C1NCCC[C@H]1C(=O)NNc1ccc(OC(F)(F)F)cc1	866872669	ABFUVEKIUNEOET-SNVBAGLBSA-N	317.267	1.555	50	20	DDGD	
O=C(NN=C1CCS(=O)CC1)c1ccc2ccccc2n1	761795869	ZSJUIELQIUFRQI-UHFFFAOYSA-N	301.371	1.863	50	20	DDGD	
COc1ccc(-c2nc(C)sc2CC(=O)NNC(C)=O)cc1	864427088	IHSWBOLHLKGCPL-UHFFFAOYSA-N	319.386	1.837	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C1CCC[C@@H]1c1ccc(F)cc1	863189202	CZVGVPJPNQILNQ-GFCCVEGCSA-N	312.366	1.610	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)N=c1cc[nH]cc1F	760002758	VWQVSJYOAFXJJN-UHFFFAOYSA-N	322.727	1.691	50	20	DDGD	
O=C(CSc1nncs1)NNCC(F)(F)C(F)(F)F	863094246	HFVCMCBJEAZPPI-UHFFFAOYSA-N	322.284	1.449	50	20	DDGD	
C/C(=C/c1ccc(Cl)cc1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1	862457601	LYBDTAZGBYRXLG-LAUAKBEESA-N	321.764	1.169	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1cc(C(N)=O)[nH]n1	768275373	LANAJFUNSSDOJV-ZETCQYMHSA-N	303.160	1.257	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)NCC(F)(F)F)c(C2CC2)n1	868026662	OVKGUBGJSBZRML-UHFFFAOYSA-N	319.287	1.287	50	20	DDGD	
CC(=NNC(=O)CS(C)(=O)=O)c1cc2cc(C)c(C)cc2o1	863189645	QPXZUJVPDQSYTM-UHFFFAOYSA-N	322.386	1.934	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2ccn(C(C)C)c2C)n[nH]1	869015698	AIOKRBIKMFGIFZ-UHFFFAOYSA-N	303.366	1.413	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)c1cccc(F)n1	763461708	DPWVNKPNAGEJOP-UHFFFAOYSA-N	305.334	1.846	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H]2C[C@@]23CCc2ccccc23)n[nH]1	869013886	JLXQBZXBVGCUNF-MAUKXSAKSA-N	324.384	1.312	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccccc1SCCC#N	763440401	CMCFQAHWJQEDBS-UHFFFAOYSA-N	320.374	1.188	50	20	DDGD	
COc1ccnc(NNC(=O)C(C)(C)Oc2ccccc2)n1	1116143712	YBYIJOKGCMJBJK-UHFFFAOYSA-N	302.334	1.786	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@@H](C)N(C)C)c1	873752640	ZLXFRPHVNJLPON-CYBMUJFWSA-N	321.421	1.595	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cccc([S@@](C)=O)c2)n1	775616239	RWOUYTNJMWNBRR-JOCHJYFZSA-N	321.362	1.371	50	20	DDGD	
Cn1cnn(CC(=O)NNc2cc(Cl)ccc2Cl)c1=O	778932440	WMPPQWWWHWYZGF-UHFFFAOYSA-N	316.148	1.032	50	20	DDGD	
CCC[C@@H](CC)C(=O)NNC(=O)[C@H]1COc2ccccc2O1	873751535	STNUOMKATMKSPH-BXUZGUMPSA-N	306.362	1.800	50	20	DDGD	
CC(C)Cn1cc(C(=O)NNC(=S)Nc2ccccn2)cn1	874956335	UGQIXEKIJGUJFX-UHFFFAOYSA-N	318.406	1.566	50	20	DDGD	
COC(=O)[C@@H](C)n1cccc1C=NNC(=O)c1ccc(C)o1	774584970	GGUDLMTYKDROQH-LLVKDONJSA-N	303.318	1.887	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)C1CCOCC1	771533044	ZUSYEQZVFLNWAY-UHFFFAOYSA-N	300.156	1.714	50	20	DDGD	
CC1(OCC(=O)NNC(=O)c2cc3c(s2)CCC3)CCC1	773251989	PRZGWZSEUPZLMV-UHFFFAOYSA-N	308.403	1.957	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)c2ccc[nH]2)c1-c1ccccc1	775521722	BJXPENOWJOYOSY-UHFFFAOYSA-N	309.329	1.490	50	20	DDGD	
CCOCCONC(=O)NNC(=O)c1cccc2ncccc12	773511874	HZGXHNQBFCVKOE-UHFFFAOYSA-N	318.333	1.147	50	20	DDGD	
CCNc1ccccc1C=NNC(=O)[C@H](C)CN1CCOCC1	872337042	RYBRRRZJVILQBT-CQSZACIVSA-N	318.421	1.537	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C2(CN(C)C)CC2)c1	874952167	NPSZYJGRYJQCIX-UHFFFAOYSA-N	316.430	1.327	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)COc2cccc(C)c2)nn1C	1116527718	WESATUMAFCNWDX-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
Cc1nn(C)c(C)c1CC(=O)NNc1nccnc1C(C)C	772878786	ZUYFOTNWXZZVOL-UHFFFAOYSA-N	302.382	1.636	50	20	DDGD	
CN1CCN(CC(=O)NNc2ncc(Cl)cc2Cl)CC1	775273140	QXGXRKDRGWUUHA-UHFFFAOYSA-N	318.208	1.079	50	20	DDGD	
C[C@H]1COCCN1C(=O)NNC(=O)c1nc2ccccc2s1	873298411	OUQMCJJLFJIUTC-VIFPVBQESA-N	320.374	1.371	50	20	DDGD	
COC(C)(C)CCNC(=O)NNC(=O)COc1ccc(C)cc1	876080937	VRBLRMLPVQVYKP-UHFFFAOYSA-N	323.393	1.519	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)COc1cc(C)ccc1C	771967452	HRRLXGUQGUAALW-LBPRGKRZSA-N	322.361	1.171	50	20	DDGD	
CC(C)(CO)[C@H](NS(=O)(=O)CCCCl)c1cccnc1	882221622	NWUFESWHGSVRRT-GFCCVEGCSA-N	320.842	1.690	50	20	DDGD	
O=C1[C@@H](NS(=O)(=O)CCCCl)CN1c1ccc(F)cc1	882054173	JWIQNEORPDAWAX-NSHDSACASA-N	320.773	1.089	50	20	DDGD	
CCc1nn(C)c(OC)c1CNC(=O)NNC(=O)C1CCCC1	772605964	OLPZWVBPRGRNQF-UHFFFAOYSA-N	323.397	1.012	50	20	DDGD	
O=C(NC[C@@H]1COC2(CCCC2)O1)NNC(=O)C1CCCC1	774315660	PYOZSMOBBRUSOF-GFCCVEGCSA-N	311.382	1.193	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCCOc2ccc(OC)cc21	779823824	SKMSPNIUFGJUHY-UHFFFAOYSA-N	321.333	1.044	50	20	DDGD	
CCCCS(=O)(=O)CC(=O)NNc1ccc(F)c(F)c1	885110192	SBSXLUACRYWLRS-UHFFFAOYSA-N	306.334	1.623	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCC1(N(C)C)CCC1	782546925	UCSXTYMDGFHWIK-UHFFFAOYSA-N	304.394	1.423	50	20	DDGD	
CN(C)[C@@H]1CCCC(=NNC(=O)CNC(=O)c2cccs2)C1	788425620	SGSFISKZCYAWRB-GFCCVEGCSA-N	322.434	1.454	50	20	DDGD	
CC(C)(C[C@@H]1CCCN(S(=O)(=O)CCCCl)C1)C(N)=O	882228538	ODKXCWXPIAOZRG-NSHDSACASA-N	324.874	1.559	50	20	DDGD	
Cc1cccnc1CC(=NNC(=O)C(C)(C)O)C(F)(F)F	785460913	GMSYFAGCKXNFRP-UHFFFAOYSA-N	303.284	1.738	50	20	DDGD	
Cn1cnnc1COCC(=O)NNc1ccc(F)cc1Cl	885136602	CTILHMAXJCEPNL-UHFFFAOYSA-N	313.720	1.268	50	20	DDGD	
CC(C)c1cccc2c1CCN(CC(=O)NNC(=O)C1CC1)C2	789547909	BQCBLZWGTLZIND-UHFFFAOYSA-N	315.417	1.726	50	20	DDGD	
C[C@H](OC[C@H]1CCCO1)C(=O)NNc1ccc(F)c(F)c1	885110402	BDIGPBFRJLYBHM-GXSJLCMTSA-N	300.305	1.992	50	20	DDGD	
COc1cccc(C[C@H](O)C(=O)NNc2cccc(OC)n2)c1	785422165	NPVCTNJVEWTRJT-ZDUSSCGKSA-N	317.345	1.146	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2cc(F)c(F)c(F)c2)C1	787133611	HTIQHPVQSNNYDQ-HTQZYQBOSA-N	315.295	1.839	50	20	DDGD	
CCn1c(NNC(=O)[C@@H]2CO[C@@H](C)C2)nc2ccccc2c1=O	784337693	PRSBRIVWGFBTCL-QWRGUYRKSA-N	316.361	1.285	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(-c2ccoc2C)on1	786213742	FJXUOLAXZSHJJX-UHFFFAOYSA-N	307.310	1.941	50	20	DDGD	
Cc1nccc(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)n1	788253379	APVRLHFPUYXMIE-UHFFFAOYSA-N	314.349	1.635	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCCN2C(C)C)c(O)c1	892928348	YSBGUQXDCHUSNI-CYBMUJFWSA-N	305.378	1.334	50	20	DDGD	
O=C(CNC(=O)C1CC1)NNc1cc(Cl)cc(Cl)c1	791716968	DKIQJARUUWWUFK-UHFFFAOYSA-N	302.161	1.963	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1cccc2c1OCCCO2	794958223	YDTRFIFLVPOYSX-FMIVXFBMSA-N	308.359	1.604	50	20	DDGD	
C=C(CBr)COC(=O)[C@@H](OC)c1cnn(C)c1	798769513	JYQGYJJGVYTYSL-JTQLQIEISA-N	303.156	1.602	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	792893406	UNURUKJUTMWZCP-QMTHXVAHSA-N	322.361	1.280	50	20	DDGD	
O=C(Cn1cccnc1=O)NNc1cc(Cl)cc(Cl)c1	791728822	PTXKNYVVGRUAGX-UHFFFAOYSA-N	313.144	1.693	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1cc(F)c(F)cc1Cl	799435683	LRTMEBNXGLQULN-UHFFFAOYSA-N	322.695	1.042	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1c(C)c2ccccc2oc1=O	798306005	PKVLODQVTGFZNR-UHFFFAOYSA-N	317.370	1.396	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccccc1NC(C)(C)C	799256977	CWCDFKGRSOTTQR-UHFFFAOYSA-N	306.366	1.393	50	20	DDGD	
O=C(CCc1cncnc1)NNC(=O)NCCc1cccs1	794248065	VJQSTJRHWDVRKF-UHFFFAOYSA-N	319.390	1.044	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNc2nncc(N)c2Cl)c1	1319219411	KBFDLHHVZRODAW-UHFFFAOYSA-N	321.768	1.851	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H](C)CN2CCCCCC2)ncn1	1324884657	ZFXXRTBLRDPUEU-ZDUSSCGKSA-N	303.410	1.747	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@@](C)(CO)C1	1324352337	GROYKJHPGZUGIE-OAHLLOKOSA-N	313.829	1.973	50	20	DDGD	
COCc1nocc1C(=O)NNC(=O)CCOc1ccccc1	1327664471	HXTKJNLHANLRHJ-UHFFFAOYSA-N	319.317	1.051	50	20	DDGD	
CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCl	1323268685	FNDRACOBNAWIIG-UHFFFAOYSA-N	319.814	1.546	50	20	DDGD	
Cc1n[nH]c(C)c1C[C@H](C)C(=O)NNC(=O)NCC(F)(F)F	1321136163	KUMSDYUYBXEICG-LURJTMIESA-N	321.303	1.098	50	20	DDGD	
Cn1cc2c(n1)CCC[C@@H]2C(=O)NNc1nncc(N)c1Cl	1321332044	LDPHVHIPSDFTSK-ZETCQYMHSA-N	321.772	1.009	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=C1C(=O)Nc2cccc(Cl)c21	1322445659	KIKWRXXQSQRGPG-UHFFFAOYSA-O	315.740	1.100	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC/C=C/C2CC2)cc1	1330866102	YQKRIVDNGOKUOH-NSCUHMNNSA-N	303.362	1.670	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H](C)n2ccnc2)ccc1C	1331130188	BRKWVHIKIDARPL-LLVKDONJSA-N	302.334	1.682	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCC[C@H]2OC)cc1OC	1339481452	CJDZTKPOBAVCQI-VXGBXAGGSA-N	322.361	1.280	50	20	DDGD	
COc1cc(C(C)=NNC(=O)C2CCOCC2)c(OC)cc1O	1262038336	IGAFSSCBUAQCOX-UHFFFAOYSA-N	322.361	1.676	50	20	DDGD	
CCOc1cccc(CCC(=O)NNC(=O)c2ccc[nH]2)c1	1351694037	UNGYABDALUCWMQ-UHFFFAOYSA-N	301.346	1.807	50	20	DDGD	
Cn1ccnc1CCC(=O)NNC(=O)CCc1ccccc1	1519289872	HOZYISZJDAKKKO-UHFFFAOYSA-N	300.362	1.133	50	20	DDGD	
O=C1N[C@H]2CCN(C(=O)C3CCC(Cl)CC3)C[C@@H]2CO1	1528382418	ASHRDYDXIQEXAI-RSJDFQLWSA-N	300.786	1.741	50	20	DDGD	
Cc1c(NNC(=O)C[C@@H](C)n2cccn2)cccc1C(=O)O	1607553262	OBYXQUQOBPZUBL-SNVBAGLBSA-N	302.334	1.984	50	20	DDGD	
CN(CCNC(=O)NNc1ccc(CC(=O)O)cc1)C1CC1	1606130569	KYCMRVCRKJNOJX-UHFFFAOYSA-N	306.366	1.034	50	20	DDGD	
COCCN(CC(=O)O)C(=O)/C(C#N)=C/c1ccc(F)cc1	1604583815	FJCXIRZMYCXSPW-XYOKQWHBSA-N	306.293	1.292	50	20	DDGD	
O=C(O)c1cc(C(=O)NNc2ncccc2F)cc([N+](=O)[O-])c1	1602246841	GNUUMWKGAGQWNS-UHFFFAOYSA-N	320.236	1.584	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2cccc(CC(=O)O)c2)n1	1601220736	QJOPQYLUEJLQPU-UHFFFAOYSA-N	321.724	1.096	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)OC(C)C)c(C(=O)O)c1	1600482647	NHGXZJLVDGTSJF-UHFFFAOYSA-N	316.335	1.021	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1604415808	GGBDPTMPFRVUMV-GXSJLCMTSA-N	322.756	1.388	50	20	DDGD	
C[C@H](CC(=O)O)C(=O)NNc1nc2ccccc2[nH]c1=S	1604095110	PEGHDVJVBGXKKQ-SSDOTTSWSA-N	306.347	1.846	50	20	DDGD	
COC(=O)N(C)N=C1CCCc2cc(-c3nn[nH]n3)cnc21	1609299951	ADGJYMOAIVUFFH-UHFFFAOYSA-N	301.310	1.000	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1cc2ccccc2nc1Cl	1610782916	HOLHPNXENYEJED-UHFFFAOYSA-N	306.709	1.606	50	20	DDGD	
CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](F)Cl)CC2	1814210284	HNEFKMCWYDYRPR-MUWHJKNJSA-N	305.762	1.609	50	20	DDGD	
CN(NC(=O)CNCCNC(=O)OC(C)(C)C)c1ccccc1	1578506753	WNJUDJQIGSQOPT-UHFFFAOYSA-N	322.409	1.268	50	20	DDGD	
CO[C@@H]1CN[C@@](C)(C(=O)NNc2cccc3c2CCCC3)C1	1578949188	SJSUSRKEZHXUMM-SUMWQHHRSA-N	303.406	1.776	50	20	DDGD	
COCC[C@@H](N)C(=O)NNc1ncnc(Cl)c1C(C)C	1578998106	RDGQLQKISBMQQT-MRVPVSSYSA-N	301.778	1.060	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@@H]1CNCCC12CCC2	1579796426	DQHATQOCPRMROB-HNNXBMFYSA-N	315.417	1.465	50	20	DDGD	
Br[C@H]1[C@@H]2CN(c3cccc(-c4nn[nH]n4)n3)C[C@H]12	1588315852	JPFAUXKSYUCLHY-MTBHXBHISA-N	307.155	1.091	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)on1	1589767699	IZUARWPESBHENL-UHFFFAOYSA-N	314.309	1.130	50	20	DDGD	
C=C(CBr)COC(=O)c1ccnc(C(=O)O)c1	1588605907	QYVVOQGQJUROJC-UHFFFAOYSA-N	300.108	1.888	50	20	DDGD	
C[C@@H](CC(=O)O)NC(=O)NNC(=O)c1cccc2cccnc12	1589000664	BYYMKBWXKADJHW-VIFPVBQESA-N	316.317	1.042	50	20	DDGD	
CCOCCC(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1846680585	HMLKTAUADVDEET-NSHDSACASA-N	306.765	1.151	50	20	DDGD	
CC(C)(CNC(=O)NNc1cccc([N+](=O)[O-])c1)CC(=O)O	1590726748	ZABLSRWBBBIBQO-UHFFFAOYSA-N	310.310	1.722	50	20	DDGD	
C[C@H]1CN(CCCI)CC[C@H]1C(=O)O	1599929594	GVKWAIGNAAYFED-DTWKUNHWSA-N	311.163	1.854	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cc(Cl)no1	1593164821	OJAGVPOUMKPWQR-UHFFFAOYSA-N	305.685	1.265	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@H](O)C1CCC1	1593161070	HRUBEJUOJCFMHI-LLVKDONJSA-N	322.756	1.124	50	20	DDGD	
C[C@@H](CO)CCCNC(=O)NNc1cccc(C(=O)O)c1F	1592756532	DFDPFHFAQCBIDG-SECBINFHSA-N	313.329	1.559	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C23CCC(C(=O)O)(CC2)C3)n1	1599394720	WMHXXMUIWQUAMF-UHFFFAOYSA-N	320.349	1.272	50	20	DDGD	
NC(=O)[C@H]1CCCC(=NNC(=O)Nc2ccc(C(=O)O)cc2)C1	1776046112	BIKLZMOIUQBCRO-JTQLQIEISA-N	318.333	1.538	50	20	DDGD	
C/C=C(/C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl	1793112823	UKDRYXDOHJFGLC-QVAXXNGCSA-N	314.813	1.191	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)c1ccc([N+](=O)[O-])s1	15794724	UDIBABBKFHQLKF-UHFFFAOYSA-N	309.278	1.870	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cc(=O)[nH]c2ccccc12	17398625	UFHRCZKOEJKMLN-UHFFFAOYSA-N	303.318	1.698	50	20	DDGD	
O=C(C[C@H]1CSCCS1)NNc1ccc(Cl)nn1	162277274	CZCQOVBPQRGXAJ-ZETCQYMHSA-N	304.828	1.812	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccccc1OCC1CC1	160885302	ZHXSVHQJXPBBRQ-UHFFFAOYSA-N	306.366	1.190	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)nc1	153743238	JCRKNJRZWQGUAH-UHFFFAOYSA-N	324.262	1.956	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cccnc2O)n1	155733920	CUTXALOVQVQPOC-UHFFFAOYSA-N	302.338	1.180	50	20	DDGD	
CCN([C@H](C)CS(C)(=O)=O)S(=O)(=O)CCCCCl	154197526	WNJCSVSWFBWJPS-SNVBAGLBSA-N	319.876	1.090	50	20	DDGD	
C[C@H](NS(=O)(=O)c1ccc(CCCl)cc1)C(C)(C)O	394007958	ACPBRBNQLWATQC-JTQLQIEISA-N	305.827	1.906	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)C[C@](C)(O)C1CC1	862290130	ODJCHPLTDGUPCZ-INIZCTEOSA-N	306.362	1.837	50	20	DDGD	
C=C1c2ccccc2C(=O)N1CC(=O)NNC(=O)OC(C)(C)C	10415800	FYZDWCRMIAFAAG-UHFFFAOYSA-N	317.345	1.669	50	20	DDGD	
COC(=O)NNC(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1	174905697	FLIREMLFBILTDQ-UHFFFAOYSA-N	323.740	1.977	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@H](C)CN2CCCC2)o1	176427258	GFKOOFATJKRUOC-LLVKDONJSA-N	308.382	1.264	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C(=O)c1ccc(Cl)cc1	171355834	JYLLZZXNWNGBCE-UHFFFAOYSA-N	305.721	1.322	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1Cl)C1=COCCO1	24459409	ZUESUUBZSIYWGU-UHFFFAOYSA-N	317.128	1.643	50	20	DDGD	
Cc1cc(C(=O)NNc2ncnc3nc[nH]c23)cc([N+](=O)[O-])c1	173932736	BKVGKBJCZXRRGB-UHFFFAOYSA-N	313.277	1.326	50	20	DDGD	
COC(C)(C)C[C@@H](C)NC(=O)NNC(=O)Cc1ccncc1	177549411	CERBOAFAMVIIDI-LLVKDONJSA-N	308.382	1.158	50	20	DDGD	
CCc1c(C(=O)NNc2cc(C)ncn2)cnn1CC(C)C	178989272	OVICBYDLDXDMAG-UHFFFAOYSA-N	302.382	1.957	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCOC(C)(C)C2)cc1	1354039976	DNBOCMIINXAIGU-LBPRGKRZSA-N	306.362	1.661	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cccc(CN2CCCC2)c1	63265590	BNPXXNLUIHOUFC-UHFFFAOYSA-N	304.394	1.635	50	20	DDGD	
CC(=O)Nc1ccc(CNC(=O)NNC(=O)CC(C)(C)C)cc1	171455660	PHBXEBBWXIKPRW-UHFFFAOYSA-N	320.393	1.912	50	20	DDGD	
O=C(NNc1ccc(-c2ccccc2)nn1)[C@@H]1COCCO1	176233007	PFVIFIAPGLTOKU-ZDUSSCGKSA-N	300.318	1.002	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Cc1csc(C(C)(C)C)n1	110758122	XQPILTWZPIYGSH-UHFFFAOYSA-N	321.406	1.476	50	20	DDGD	
COCCCNC(=O)NNC(=O)C[C@@H](C)c1ccccc1C	116181121	NYOKQJDZLUYKKH-CYBMUJFWSA-N	307.394	1.856	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCO1)c1c(Cl)cccc1Cl	170814436	IIXSYKQSNSMNLB-SECBINFHSA-N	303.145	1.933	50	20	DDGD	
O=C(C[C@@H]1OCCc2ccccc21)NNC(=O)[C@@H]1CCCO1	115333293	UBEFMVMGMLRWQQ-KBPBESRZSA-N	304.346	1.017	50	20	DDGD	
Cc1cccn2c(/C=C(\C#N)C(=O)Nc3ccn(C)n3)cnc12	179420983	JBEXURCFPNZIKJ-XYOKQWHBSA-N	306.329	1.922	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)no1	68193499	IDQKOJDENCTTPP-SECBINFHSA-N	307.281	1.351	50	20	DDGD	
NC(=O)c1ccc(NC(=O)NNc2ccccc2[N+](=O)[O-])cc1	170697669	XHNGCVRBIWUNML-UHFFFAOYSA-N	315.289	1.842	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2ccc([N+](=O)[O-])cc2)o1	177269014	CSXQUEIAUWLYBR-UHFFFAOYSA-N	318.289	1.640	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H](C)c2cnn(C)c2C)n1	175317813	GLENMYZAISHOSX-VIFPVBQESA-N	319.369	1.223	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](C)C1(N2CCOCC2)CCCC1	178969273	VRLYCXUZRIKMAD-MRPLLJTBSA-N	321.421	1.580	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CCc1nc(-c2ccco2)no1	63269263	RKROKFUXAJSDBT-UHFFFAOYSA-N	307.310	1.001	50	20	DDGD	
COC(=O)c1cccc(CC(=O)NNc2nc(C)cc(C)n2)c1	128771387	MDBOFTPCPBEHKT-UHFFFAOYSA-N	314.345	1.566	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1ccc(C#N)cc1	126176182	HENBYNAVXQUSTE-UHFFFAOYSA-N	302.334	1.080	50	20	DDGD	
CN(NC(=O)c1ccccc1NC(=O)c1ccsc1)C(N)=O	181073359	ZOHLUSYNUMIURL-UHFFFAOYSA-N	318.358	1.656	50	20	DDGD	
O=C(NNC(=O)[C@H](c1ccccc1)N1CCCCC1=O)C1CC1	76691160	HLKLXWVVSCIPOU-HNNXBMFYSA-N	315.373	1.298	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1cnsn1	127511452	HKFRVJOXQPDHCZ-UHFFFAOYSA-N	314.330	1.003	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc2oc(C3CC3)nc2c1	186067417	KABXTOHGTZYGJU-UHFFFAOYSA-N	317.349	1.420	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)OC[C@@H]2CCCO2)c(O)c1	70822937	XSDHSTXAJRXUKW-NEPJUHHUSA-N	322.361	1.046	50	20	DDGD	
COc1ccnc(NNC(=O)NCC[C@H](C)N2CCCCC2)n1	182654453	PHNRXHQBJCWSAR-LBPRGKRZSA-N	322.413	1.376	50	20	DDGD	
CCCOc1cccc(NC(=O)NNC(=O)c2cc(C)n[nH]2)c1	183591778	NJJYJPGWHDDXJC-UHFFFAOYSA-N	317.349	1.973	50	20	DDGD	
CC(C)CCO[C@@H](C)C(=O)NNC(=O)COCc1ccccc1	78192212	ZSNRVXUAHGHBLD-AWEZNQCLSA-N	322.405	1.802	50	20	DDGD	
C[C@]1(NNC(=O)NC2CCCCCC2)CCS(=O)(=O)C1	42996241	ZRGSLFFHUHULMK-ZDUSSCGKSA-N	303.428	1.090	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cccc(C2OCCO2)c1	133053334	ZNMOCLKLXKYGOU-UHFFFAOYSA-N	304.281	1.418	50	20	DDGD	
O=C(CCOC1CCOCC1)NNC(=O)Cc1ccc(F)cc1	84578260	JJQIJSLGIFSXAH-UHFFFAOYSA-N	324.352	1.101	50	20	DDGD	
Cc1cc(OCC(=O)NNC(=O)C(C)(C)O)ccc1C(C)C	192928309	LMRHIOJBISQUOX-UHFFFAOYSA-N	308.378	1.416	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)c[nH]1)c1ccc2c(c1)OCO2	138338625	VQFMJNPCZMJGDX-UHFFFAOYSA-N	307.693	1.472	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNc1cnc2ccccc2n1	193556592	LRRIZYWKFKARRG-UHFFFAOYSA-N	302.334	1.662	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2ccc(Cl)nc2)o1	84143865	RUBIUZBVATVRNO-UHFFFAOYSA-N	308.725	1.781	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCc2ccc(O)nc2)cc(C#N)n1C	135598288	QBQODZTYSSTPLW-RZNTYIFUSA-N	321.340	1.529	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCC1CCC1	47053342	GHRMFARHCYGMDO-SNVBAGLBSA-N	309.341	1.724	50	20	DDGD	
Cc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)c1ccc(C#N)cc1	194503758	BSQCIWDBDLNKEF-UHFFFAOYSA-N	324.296	1.850	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)Cc1ccccc1F)C(C)C	80602849	RXGGOUOGYVRVGK-CYBMUJFWSA-N	311.357	1.370	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)/C=C\c2ccccc2)cc1	96545161	OPPKSRDRYQSVLE-FLIBITNWSA-N	321.336	1.798	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H](C)CN2CCC[C@H](C)C2)n1	249777290	NWTCVEXGVWMMOE-RYUDHWBXSA-N	322.413	1.232	50	20	DDGD	
O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1ccccc1O	254395527	VBYFOEHBDCFORF-UHFFFAOYSA-N	322.328	1.196	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(OCC2CCOCC2)cc1	265583381	RICDQHPUPDPQBV-UHFFFAOYSA-N	323.349	1.885	50	20	DDGD	
CC1(C)CCC[C@H]1NC(=O)NNC(=O)COc1ccccc1O	267573963	NZCGQONDSFWSEH-CYBMUJFWSA-N	321.377	1.680	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CC(=O)N(C(C)C)C2)s1	267776728	XWTBSUKRVUNDLF-JTQLQIEISA-N	324.406	1.010	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)c1cccc(Cl)c1	266051349	RTASRCNBNKIUJD-SECBINFHSA-N	311.769	1.116	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc(CNC(N)=O)cc1	263695942	NJCDSRKQZAREHO-UHFFFAOYSA-N	308.338	1.024	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNC(=O)C1CCC1)c1ccc(F)cc1	264701128	AQHOLWAADYAAEZ-CQSZACIVSA-N	322.384	1.559	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)c[nH]1	264675012	JYXVKCXACQFKJD-LLVKDONJSA-N	316.361	1.563	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)c3ccc4c(c3)CCC4)nc21	269295692	HCASOFYDRWPUNW-UHFFFAOYSA-N	324.344	1.315	50	20	DDGD	
C[C@](O)(CC(=O)NNC(=O)c1c[nH]c2ccccc12)C1CC1	270119495	LWDQHNSKNCUBOK-INIZCTEOSA-N	301.346	1.480	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC[C@@H]2CCSC2)cc1	279354423	SDVJDPFSSGHBPL-LBPRGKRZSA-N	323.418	1.457	50	20	DDGD	
C=CCc1cc(C(=O)NN(C)C(=O)NCC)cc(OC)c1OC	271458841	WQAMBLMYLIDLQT-UHFFFAOYSA-N	321.377	1.738	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)N2CCC[C@H](C)C2)s1	274434883	GJVVWUVWTMYADH-VIFPVBQESA-N	309.391	1.076	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)C1=CCCCC1	276314145	WAYCYKQFTJCBFA-SNVBAGLBSA-N	311.382	1.547	50	20	DDGD	
COC(=O)COc1ccc(NC(=O)NNC(C)=O)cc1Cl	274210210	QDIXLIDXHILBCS-UHFFFAOYSA-N	315.713	1.064	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C[C@H]1CCCC(=O)N1	377298245	FQQOAALSIMYHKL-SECBINFHSA-N	308.290	1.568	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H](C)[C@H]2CCCCO2)n1	272013663	QPDRQHRFUZEPPI-WDEREUQCSA-N	309.370	1.377	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC2CCC(C)CC2)n1	279801375	MFIFYVFAFNQPGJ-UHFFFAOYSA-N	305.378	1.746	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc(C)cc(F)c1	288010020	PJXIJPODKKDQSA-UHFFFAOYSA-N	312.341	1.684	50	20	DDGD	
COCCN(C)NC(=O)c1cc2ccc(OC)cc2nc1C	288454802	JNKLXJFHQUDEJV-UHFFFAOYSA-N	303.362	1.775	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2	377029846	NEEQQLJLLSMNCK-LURQLKTLSA-N	309.288	1.035	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(NCC2CC2)nc1	282786320	LUNDFHPMKZZWGI-UHFFFAOYSA-N	305.407	1.198	50	20	DDGD	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ccc(OC)c(Cl)c1	286095086	OCBUIESYWSNLDF-VHSXEESVSA-N	312.753	1.991	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cc([C@@H]2CCCOC2)nn1C	280208272	QANCNVBUSPIPJZ-WDEREUQCSA-N	323.397	1.513	50	20	DDGD	
Cc1nc(-c2c[nH]c(C(=O)NNC(=O)NC3CC3)c2)cs1	299240623	LZJQDKUQWONTCB-UHFFFAOYSA-N	305.363	1.553	50	20	DDGD	
O=C(NCCCO[C@@H]1CCOC1)NNc1cccc(Cl)n1	293120014	UXJDDXNQJCRUFU-SNVBAGLBSA-N	314.773	1.557	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1[C@@H](C)CCC[C@@H]1C	299250181	KQRBQPIYSYWGDJ-GJZGRUSLSA-N	317.433	1.948	50	20	DDGD	
O=C(NCCCOCCc1ccccc1)NNc1ccncn1	296153220	DPKXGEVTMWRVJD-UHFFFAOYSA-N	315.377	1.752	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)N1CCC[C@@H]1CF	296446891	OTXNOTZHKOQJHN-CYBMUJFWSA-N	309.341	1.378	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@H]1CCCN1C1CCCC1	802027350	CQHVHHYBUIGGIP-CQSZACIVSA-N	317.393	1.063	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1cnn(-c2ccccc2)c1	293384880	PWZAOQWDCAACLW-ZDUSSCGKSA-N	315.333	1.204	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1c(F)ccc(O)c1F	809718837	QFXAHXGJPFJWPN-UHFFFAOYSA-N	310.216	1.731	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@H]1C(=O)NNc1ncccc1F	804214545	KDMLSCLODZSHJG-NOZJJQNGSA-N	303.293	1.892	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)c2c(C)noc2n1	295326740	GZGLKJZXXCFVIM-NSHDSACASA-N	318.333	1.170	50	20	DDGD	
N#CCOc1ccc(CC(=O)NNc2ncccc2F)cc1	804212955	FKKHTEBPDNVOBT-UHFFFAOYSA-N	300.293	1.809	50	20	DDGD	
COc1ccc(CCCC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	295390809	LJGYIRNTHQSPDP-HNNXBMFYSA-N	320.389	1.734	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNC(=O)CCc1ccc(OC)cc1	292671314	MAWVYCLVHZPORP-INIZCTEOSA-N	308.378	1.326	50	20	DDGD	
C[C@@H](NC(=O)C1CCCC1)C(=O)NNc1ccccc1[N+](=O)[O-]	298655437	ANUCVJFEGSWCJU-SNVBAGLBSA-N	320.349	1.733	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H](c2ccccc2)OC1=O)c1ccccc1	809545589	FVBZZQLECJOBEF-GJZGRUSLSA-N	324.336	1.752	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)c1ccc(C#N)cc1)OC	293749563	RFLHEVLOLCGRAT-UHFFFAOYSA-N	318.377	1.707	50	20	DDGD	
CC(C)OCCC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802123428	QDTACDZORQODAL-UHFFFAOYSA-N	308.382	1.720	50	20	DDGD	
CN(NC(=O)c1ccc(N2CCCC2)nn1)C(=O)OC(C)(C)C	297576962	HNLADYWWKAZBGF-UHFFFAOYSA-N	321.381	1.589	50	20	DDGD	
CC(C)c1cnc(NC(=O)NNC(=O)[C@@H]2CCCCO2)s1	298457780	NYRINGJLHGRDIR-VIFPVBQESA-N	312.395	1.988	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc(OC(F)F)cc1	295578362	ODPDKMWHWXJNEZ-NSHDSACASA-N	314.288	1.618	50	20	DDGD	
CCOc1ccc(NNC(=O)C(=O)N2CCC[C@H](C)C2)cc1	294313639	KXUKRQPRMCSQHI-LBPRGKRZSA-N	305.378	1.787	50	20	DDGD	
O=C(CCn1ccc2ccccc21)NNC(=O)N=c1cc[nH]cc1	802029671	SSYOYYKRLAMNMT-UHFFFAOYSA-N	323.356	1.701	50	20	DDGD	
COc1nccnc1NNC(=O)C1(c2ccccc2)CC(=O)C1	811075175	ZUKZWDXSTUCPOB-UHFFFAOYSA-N	312.329	1.229	50	20	DDGD	
O=C(NC[C@H]1C[C@H]2C=C[C@H]1CC2)NNc1nc2ccccn2n1	817789476	ZJJGLIAMBAPKMT-RWMBFGLXSA-N	312.377	1.958	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	819110125	UJHFXFCQKNUBKS-NSHDSACASA-N	319.336	1.126	50	20	DDGD	
C[C@H](C(=O)OCC(=O)NNC(=O)c1cccs1)C(C)(F)F	815494548	HKYGEQTVDMMUQE-SSDOTTSWSA-N	320.317	1.344	50	20	DDGD	
CO[C@@](C)(C=NNC(=O)COc1ccc(C#N)cc1)C1CC1	814722291	SVBYKLKBSLIMGG-INIZCTEOSA-N	301.346	1.854	50	20	DDGD	
COc1ccc(CCC(C)=NNC(=O)Cc2cc[nH]n2)cc1O	814955037	RVXODZNISHWAHT-UHFFFAOYSA-N	316.361	1.791	50	20	DDGD	
CC(CN1C(=O)CCC1=O)=NNC(=O)Nc1cc(F)cc(F)c1	815006891	IEJSTQPBEUJYQE-UHFFFAOYSA-N	324.287	1.611	50	20	DDGD	
C=CCCn1cc(C(=O)NNC(=O)c2ccc(CC)cc2)nn1	819010047	YHSJDLZNRLIZBV-UHFFFAOYSA-N	313.361	1.491	50	20	DDGD	
Cc1nc(C(F)(F)F)ccc1C(=O)NNC(=O)CC1CC1	819109552	HOLMWDOJEUKKIM-UHFFFAOYSA-N	301.268	1.970	50	20	DDGD	
CCOc1nc2ccc(C(=O)NNC(=O)CC3CC3)cc2[nH]1	819123219	UQZZZKIKODFHAZ-UHFFFAOYSA-N	302.334	1.523	50	20	DDGD	
CN(C)c1ccc(C2(C(=O)NNc3ncc(F)cn3)CC2)cc1	815881486	POPHABDNIFONIW-UHFFFAOYSA-N	315.352	1.857	50	20	DDGD	
CC(CCCO)=NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	814856650	PZKYBYPYEIIREG-UHFFFAOYSA-N	313.379	1.360	50	20	DDGD	
O=C(Cc1cc2ccccc2nc1O)NNc1ncncc1F	817067324	KAYIKWXBXIAALE-UHFFFAOYSA-N	313.292	1.555	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)CCCC2CC2)c1	812456251	ULDYYJWHSLMLHS-UHFFFAOYSA-N	305.378	1.835	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1cnn(-c2ccccc2)c1C1CC1	816633423	BJTMFTGJLHSZOK-UHFFFAOYSA-N	309.333	1.625	50	20	DDGD	
O=C(Cc1ccccc1F)NN=Cc1cc(CO)ccc1O	814843462	VPPUMZMZQRPYEQ-UHFFFAOYSA-N	302.305	1.716	50	20	DDGD	
CCCCC(=O)N1CSC[C@H]1C(=O)NNC(=O)C(C)(C)C	728025134	RSUIPXLWPBRECM-JTQLQIEISA-N	315.439	1.272	50	20	DDGD	
N#Cc1cccc(NNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1	729618584	JTDNCNFYRDXMHS-HUUCEWRRSA-N	315.377	1.048	50	20	DDGD	
CCN(CCO)NC(=O)c1c[nH]nc1-c1cccc(Cl)c1	823865329	NRARBPZNIORQML-UHFFFAOYSA-N	308.769	1.689	50	20	DDGD	
Cc1sc(Br)nc1C(=O)NN(C)[C@@H](C)CO	823928301	MHWQJWLNINRFDC-YFKPBYRVSA-N	308.201	1.171	50	20	DDGD	
Cc1ccccc1OCCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	825747879	BCEAIXYAGCXJLJ-QWHCGFSZSA-N	321.377	1.129	50	20	DDGD	
CC(=NNC(=O)NCCNC(=O)OC(C)(C)C)[C@H]1CCCO1	495235746	CLMLWRFDJVSJCJ-LLVKDONJSA-N	314.386	1.365	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNC(=O)COc1cc(C)cc(C)c1	820630258	LIVIJRCVURXWDA-AWEZNQCLSA-N	317.389	1.815	50	20	DDGD	
C=Cc1ccc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1	495902553	CHSUHQYRFVDCDW-UHFFFAOYSA-N	319.361	1.615	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)C[C@H](C)COC1CCCC1	496313368	QJXKQZRLVZGHAB-SNVBAGLBSA-N	308.400	1.114	50	20	DDGD	
Cc1cc(NNC(=O)CCN(C)C(=O)OC(C)(C)C)ncn1	495843991	ZNSZBBYMURULGE-UHFFFAOYSA-N	309.370	1.485	50	20	DDGD	
COc1cccc(C(=O)NNc2nc(-c3cccnc3)no2)c1	728078371	CBZWNCKJZWYPMU-UHFFFAOYSA-N	311.301	1.897	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cccnc1SC(F)(F)F	823966166	ZTXBGPKKMZCSOO-ZETCQYMHSA-N	309.313	1.651	50	20	DDGD	
O=C(NNc1ccccc1F)c1cc(-c2nn[nH]n2)cs1	826449161	DZKXAHCORRQYAV-UHFFFAOYSA-N	304.310	1.824	50	20	DDGD	
CC(C)(C)Cc1ccccc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1	827016527	SONZUSAKWZBCQT-ZDUSSCGKSA-N	317.389	1.315	50	20	DDGD	
CC(C)c1nn(C)cc1NC(=O)NNC(=O)c1cccc(F)n1	823151357	ONXNBBZMKIILIZ-UHFFFAOYSA-N	320.328	1.544	50	20	DDGD	
CCn1cc(Br)cc1C(=O)NNC(=O)NC(C)C	726770987	SVBBHYKCMNJTGM-UHFFFAOYSA-N	317.187	1.623	50	20	DDGD	
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NN(C)C(=O)OC	495625608	MLRVLGRAHAONCF-NSHDSACASA-N	309.322	1.893	50	20	DDGD	
CCOc1ccccc1C(F)(F)C(=O)NN(C)[C@H](C)CO	823940197	ULMZUZQTLWSSQA-SNVBAGLBSA-N	302.321	1.521	50	20	DDGD	
C#CCCCCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	823837922	ILQJISWLLFGRGH-UHFFFAOYSA-N	319.756	1.552	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1	490783301	PJOBEAKMPFCFNP-NGPGYTDTSA-N	305.300	1.525	50	20	DDGD	
COC(=O)[C@@H]1CN(C(=O)/C(C#N)=C/c2ccc(F)cc2)CCO1	490841521	IWEQPUHNMGPOLS-BCNIOPEESA-N	318.304	1.133	50	20	DDGD	
CC(C)(C)C[C@@H](NC(=O)c1cccc(B(O)O)c1)C(F)(F)F	584970870	IDMRGKUDDJTIGY-LLVKDONJSA-N	317.116	1.463	50	20	DDGD	
C[C@@H](NCc1ccccc1B(O)O)c1nc2c(s1)CCC2	585045753	HDGSJSIBJYRGFB-SNVBAGLBSA-N	302.208	1.162	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(Oc2ccccc2)cn1	823928209	LGSNHZAOCOEAGQ-GFCCVEGCSA-N	301.346	1.831	50	20	DDGD	
C[C@H](CC(=O)O)C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1	827304214	RFAOPHROBVSQFA-SSDOTTSWSA-N	322.346	1.010	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1cccnc1)c1c[nH]c2ccccc12	731865642	PUTGFWUJXKFLAK-CQSZACIVSA-N	310.313	1.058	50	20	DDGD	
CC[C@@H](O)[C@@H](C)C(=O)NNc1nc2ccccc2c(=O)n1CC	900092737	PDJPXVMKJSPEHQ-ZWNOBZJWSA-N	318.377	1.267	50	20	DDGD	
CCCc1cc(C(=O)NNC(=S)NCC2CCC2)cc(O)n1	824437291	PABWMPNKXIYEDL-UHFFFAOYSA-N	322.434	1.649	50	20	DDGD	
CCCN1CCC[C@H](C(=O)NNC(=O)c2cccc(C)n2)C1	907892072	KTKLOCKAPCHVJD-ZDUSSCGKSA-N	304.394	1.273	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)c1	826289657	IECFGMYERUTSLR-UHFFFAOYSA-N	301.285	1.399	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)c1ccc(OC)cc1OC	491786450	OUKXQFCLSIICKM-UHFFFAOYSA-N	312.329	1.297	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cccc(C)c1C	734299276	LRWZNCYFYPNNKG-GFCCVEGCSA-N	311.407	1.081	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)/C=C\c1ccc[nH]1	492795811	GTQMLFFFUUKCRN-KTKRTIGZSA-N	313.357	1.817	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccn(C)c1	496999982	PASIUEXYQQXOLS-ZDUSSCGKSA-N	318.377	1.392	50	20	DDGD	
CC[C@@H](C)[C@@H](NNC(=O)COc1cccc(C)c1)C(=O)OC	905746952	GCDPFEHHNGKLFD-IUODEOHRSA-N	308.378	1.582	50	20	DDGD	
CC[C@@H](CNCc1cccc(B(O)O)c1)Oc1ccccc1F	585030069	DWXOVAZFGVXSSU-HNNXBMFYSA-N	317.169	1.453	50	20	DDGD	
OB(O)c1cccc(CN[C@H](CN2CCCC2)c2ccccc2)c1	585015854	BJFUQPKJNPQOGG-LJQANCHMSA-N	324.233	1.293	50	20	DDGD	
COc1ccccc1C=NNC(=O)c1cccc(-c2nn[nH]n2)c1	737145705	FKZYYEGMIICVBG-UHFFFAOYSA-N	322.328	1.639	50	20	DDGD	
CCS(=O)(=O)CC(C)=NNC(=O)c1c(C)nc2ccccn12	733745659	RBKVLHATAJXFEE-UHFFFAOYSA-N	322.390	1.183	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2cnn(C)c2)c2c(O)ccc(F)c21	735411999	GNDSIJWWZPLYOY-MRVPVSSYSA-N	302.309	1.906	50	20	DDGD	
CN1CCO[C@@H](C(=O)NNc2ccccc2C(F)(F)F)C1=O	900091355	YLXKGXCWVWYJLX-JTQLQIEISA-N	317.267	1.006	50	20	DDGD	
Cc1cc(N(C)C)ccc1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	831236042	RFHDGFYYFNDSOC-WCQYABFASA-N	320.393	1.639	50	20	DDGD	
C[C@H]1CCC[C@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1	494540203	RRYCIOQOEMYXOM-QWRGUYRKSA-N	313.398	1.485	50	20	DDGD	
CC(C)Cc1ncc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cn1	831760160	UHCXYUKIIRHOHE-PWSUYJOCSA-N	321.381	1.253	50	20	DDGD	
CC(C)N1CCN(CCCC(=O)N2CC=C(C#N)CC2)CC1	901266571	OOXRZAGNQRBRNF-UHFFFAOYSA-N	304.438	1.475	50	20	DDGD	
C[C@@H](C(=O)O)n1cccc1C=NNC(=O)c1ccc(Cl)nc1	833408511	ZHIYIZUCLPXJSC-VIFPVBQESA-N	320.736	1.946	50	20	DDGD	
CC(C)(CO)N1CCN(C(=O)[C@]2(C)C[C@@H]2Br)CC1	907144856	QZHUOZFMQNREDR-GXFFZTMASA-N	319.243	1.075	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cnc(C(C)(C)C)nc1	831368222	DOOSGBANSNQXPY-GXSJLCMTSA-N	321.381	1.352	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2nccc3sccc23)CCC1	734249941	NBBFOHOLZQYWJA-UHFFFAOYSA-N	304.375	1.656	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCCc2sccc2C1	584942800	DVNCLJCGIUVAQE-UHFFFAOYSA-N	301.176	1.017	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C	735762968	UADQDJWFEVBZIQ-AAEUAGOBSA-N	315.414	1.195	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2C[C@@H]3CCCCN3C2=O)C[C@@H]1Br	909569995	IDNFMMOAPJGZFD-WJZNIJOASA-N	315.211	1.430	50	20	DDGD	
CON1CCC(=NNC(=O)c2nnc(-c3ccccc3)o2)CC1	834944573	TXKJYDJRBPCIHU-UHFFFAOYSA-N	315.333	1.480	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cccc(Oc2cnccn2)c1	736551432	VLCVNSPSWSKJPP-UHFFFAOYSA-N	315.333	1.623	50	20	DDGD	
CO[C@H](C=NNC(=O)Cc1cc(C)[nH]n1)Cc1ccccc1	834937674	VBZGJKRSOHJSIH-HNNXBMFYSA-N	300.362	1.620	50	20	DDGD	
COCCN(C)NC(=O)COc1ccc2c(C)cc(=O)oc2c1	837621866	OQVLNQMDDIAHTI-UHFFFAOYSA-N	320.345	1.090	50	20	DDGD	
CC(C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1)=C1CCC1	838232438	PIHYGXWJOIZINN-UHFFFAOYSA-N	316.357	1.800	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2C[C@H]2c2cncn2C)c1	831893654	GRZOARPATMKNSA-CHWSQXEVSA-N	314.345	1.454	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)Cc1cccc(Br)c1	910165682	MMZGDDQRZPNGGV-VIFPVBQESA-N	301.184	1.335	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@@H]1CCc2ccc(F)cc21	836286023	FCOQFIRAIDQHTI-KGLIPLIRSA-N	321.352	1.713	50	20	DDGD	
N#Cc1cccc(OCC(=O)NNc2ccc(Cl)nn2)c1	735688756	RCBQCNWFZRWBFD-UHFFFAOYSA-N	303.709	1.524	50	20	DDGD	
O=C(CN1CCCO[C@@H](c2ccccc2)C1)NNC(=O)C1CC1	733197743	BDWHBFBPDHBSPC-OAHLLOKOSA-N	317.389	1.007	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1nccnc1Sc1ccccc1	910151474	FNLHSBQHKDTXOS-NSHDSACASA-N	318.402	1.585	50	20	DDGD	
Cc1oc(-c2ccsc2)nc1CC(=O)NN(C)C[C@@H](C)O	910165781	NCEJSHPQIOPBBH-SECBINFHSA-N	309.391	1.598	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N[C@H](C1CCC1)C1CC1	836280290	VXIZAGQBOSMVCG-OAHLLOKOSA-N	302.378	1.533	50	20	DDGD	
CNC(=O)CCCNC(=O)NNc1ccc(F)cc1Cl	914310171	WLSBLSTYSKCGFB-UHFFFAOYSA-N	302.737	1.631	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCc1ncc(-c2ccccc2)o1	910174634	GVLYEGDJQSDLNO-GFCCVEGCSA-N	303.362	1.618	50	20	DDGD	
CCOc1ccc(NNC(=O)NC2CCN(CC#N)CC2)cc1	838342383	NUPRIEMISQSLIZ-UHFFFAOYSA-N	317.393	1.699	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NOCc2ccccc2)n1	746758022	CSTIJECYPLDXPZ-UHFFFAOYSA-N	303.322	1.552	50	20	DDGD	
O=S(=O)(c1ccc(CCl)cc1)N1CCn2cncc2C1	1334296599	JDJULCSVYBNHAB-UHFFFAOYSA-N	311.794	1.826	50	20	DDGD	
Cc1cccc(C2(C(=O)NNc3nnc(C)c(O)n3)CCC2)c1	749524236	QKUKJIIBRQEGOX-UHFFFAOYSA-N	313.361	1.759	50	20	DDGD	
CCNc1nc(C(=O)NNC(=O)c2ccccc2C)cs1	748013218	QHEGBOJPYYYXPH-UHFFFAOYSA-N	304.375	1.958	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc(C(N)=O)s2)n1	748333209	CUCQHUUKZHNZIO-UHFFFAOYSA-N	311.754	1.356	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1ccc(C(=O)O)cc1Cl	842559419	CDSFWRUTMHMQGN-KWQFWETISA-N	310.737	1.913	50	20	DDGD	
COc1cccc(C[C@H](O)C(=O)N(C)CC(Cl)Cl)c1	848084145	JCCXVWDRSOFWFQ-NSHDSACASA-N	306.189	1.861	50	20	DDGD	
CSC[C@H](C)NC(=O)NNc1ncc(Br)cn1	847320749	GWGYONFMOGDKIZ-LURJTMIESA-N	320.216	1.617	50	20	DDGD	
COCCOc1cccc(C=NNC(=O)N2CCOCC2)c1	745591824	IUCKAFVQGWJULR-UHFFFAOYSA-N	307.350	1.088	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cc(C)n(C)n2)c(OC)c1	841622778	AJERKTKWAGXXHL-UHFFFAOYSA-N	302.334	1.510	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1cc2c(s1)CCCC2	914879326	VCAMTHKTFZYKNE-UHFFFAOYSA-N	312.391	1.051	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1ccc(Cl)s1	842587315	ZBPPRNXQVZGLSD-RNFRBKRXSA-N	324.811	1.136	50	20	DDGD	
Cc1cccc(C2(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)CCC2)c1	843644091	OGZHYITYGWPKLT-DZGCQCFKSA-N	316.401	1.989	50	20	DDGD	
COCCOCC(C)=NNC(=O)[C@H](C)Oc1ccccc1F	741161774	HOGXULFIQAGOPQ-LBPRGKRZSA-N	312.341	1.748	50	20	DDGD	
COc1ccccc1C[C@@H](C)N(C)CC(=O)NNC(=O)C1CC1	744413914	UTSCTZJGYAQVHF-GFCCVEGCSA-N	319.405	1.115	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCN1C(=O)N[C@]2(CCOC2)C1=O	840202653	HRVZLTXPOSPGER-AWEZNQCLSA-N	314.458	1.719	50	20	DDGD	
Cn1ccnc(NNC(=O)c2cccc3c2OC(C)(C)C3)c1=O	848371823	XKZSGZPFSJVXEU-UHFFFAOYSA-N	314.345	1.251	50	20	DDGD	
O=C1CC[C@]2(C(=O)NNc3cccnc3Cl)SCCN12	840480740	VGCNRJYAUZPPRQ-GFCCVEGCSA-N	312.782	1.244	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cc(O)nc(C2CC2)n1	847957337	LWQUNPCDYMYSFO-UHFFFAOYSA-N	314.349	1.730	50	20	DDGD	
C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)NNC(=O)CC(F)(F)F	745858746	SUBGRJLSIFOGJF-GWCFXTLKSA-N	315.295	1.999	50	20	DDGD	
CCO[C@@H]1C[C@@H](N(C)CC(=O)NNC(=O)C(C)(C)C)C1(C)C	744405214	MWKBURIEGYNIQP-VXGBXAGGSA-N	313.442	1.315	50	20	DDGD	
COC(=O)CSCCC(=O)NNc1cc(Cl)nc(C)n1	841471378	MRWSUMHTRHHTEF-UHFFFAOYSA-N	318.786	1.178	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(C(F)(F)F)cn1	843645803	SASHLVQIAIMHPX-IONNQARKSA-N	317.267	1.286	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cc3cccc(F)c3o2)cn1	741937745	WIYKQOZIJSATSP-UHFFFAOYSA-N	302.265	1.380	50	20	DDGD	
O=C(NN=C/C=C/c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1	747752246	XCJSEFITFSUMTI-GIUWSOLASA-N	310.350	1.376	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H](NC(=O)NNc2c(F)cccc2F)C1	924161790	HPIFRIKLEBRIOE-BDAKNGLRSA-N	313.304	1.933	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)C1(O)CCCC1	920429156	JEMLLYOYTNRBHN-UHFFFAOYSA-N	306.406	1.655	50	20	DDGD	
CC(C)NCCCNC(=O)NNC(=O)CCc1ccccc1	841934405	UDZRFKNHAZTVBG-UHFFFAOYSA-N	306.410	1.338	50	20	DDGD	
NC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccncc1	751332301	UZSIMHGGHDNGBT-UHFFFAOYSA-N	306.329	1.937	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccnc3cc(Cl)ccc23)CCN1	754449962	FZRLJSWAOBPOOC-SECBINFHSA-N	318.764	1.858	50	20	DDGD	
CSSCCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1	853585194	VZYGFGJXFWYSSQ-UHFFFAOYSA-N	323.421	1.665	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNC(=O)OCC(F)(F)F	856021398	NTGVMXHHOLRTRR-UHFFFAOYSA-N	323.271	1.662	50	20	DDGD	
C[C@]1(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H]1Br	857247148	PJWJNBDQVMXRFJ-OUCADQQQSA-N	322.206	1.848	50	20	DDGD	
O=C(NNC(=S)NC[C@@H]1CCCCO1)Nc1ccccc1	758192471	OBMBAIUKNPCMFK-LBPRGKRZSA-N	308.407	1.756	50	20	DDGD	
C[C@H](CCCO)CNC(=O)NC[C@]1(C)C[C@@H]1Br	856957801	HPTUQIKWSPMCEH-SCVCMEIPSA-N	307.232	1.868	50	20	DDGD	
O=C(NCc1cccnc1N1CCCC1)NNc1ccccn1	852474583	QQTOEKZSEUWYPA-UHFFFAOYSA-N	312.377	1.903	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1cccc(-c2ncco2)c1	757771240	WWBMJCYPGQEWHO-UHFFFAOYSA-N	324.300	1.598	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cc3cccc(Cl)c3o2)cn1	753233267	UIYJFDICCFWUDG-UHFFFAOYSA-N	318.720	1.895	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)C1(c2cccnc2)CC1	855089610	YKMOZVKSTJMONB-UHFFFAOYSA-N	304.419	1.409	50	20	DDGD	
CCC(CC)n1nc(C(=O)NNC(=O)c2cc[nH]n2)cc1C	855356601	OAWGGJBECXCMPA-UHFFFAOYSA-N	304.354	1.351	50	20	DDGD	
CN(C)Cc1cccc(NC(=O)NNC(=O)CCCCCN)c1	857766587	PIQOGNASTAFWKE-UHFFFAOYSA-N	321.425	1.420	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=C1CCc2ccccc21	750945379	LFUGJPVXYSREGP-UHFFFAOYSA-N	313.382	1.945	50	20	DDGD	
CCC1(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)COC1	755049022	JYCRQZVGWUDXQG-UHFFFAOYSA-N	301.346	1.284	50	20	DDGD	
O=C(C[C@H](n1cccn1)C(F)(F)F)NNc1ncncc1F	854609261	MNJAPUQCHDDMFL-QMMMGPOBSA-N	318.234	1.449	50	20	DDGD	
COC(=O)c1coc(C=NNC(=O)c2ccc3c(c2)OCO3)c1	758066566	DQLOMRRMVSBZEC-UHFFFAOYSA-N	316.269	1.559	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H]1CCN(C2CCCCC2)C1=O	856439234	MBCAKNOVTJOJEV-GETOMWPZSA-N	305.378	1.480	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC2CCN(C)CC2)c1C	853233640	HWNAAVWOGCWFRV-UHFFFAOYSA-N	320.393	1.502	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cccc2nc(O)[nH]c12)C1CC1	855097514	RRCBTGJYUCGQAB-SSDOTTSWSA-N	319.390	1.176	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cnc2c(C)cccn12	755631633	OCONMZICCUFTJQ-UHFFFAOYSA-N	314.374	1.754	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(F)cc(N2CCOCC2)c1	756280124	LVLSVSQFPBTPCH-UHFFFAOYSA-N	310.329	1.225	50	20	DDGD	
CC1(CNC(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)CC1	753019273	GWAJTUGMDNGABI-UHFFFAOYSA-N	308.294	1.045	50	20	DDGD	
CO[C@H](C)CNC(=O)NNC(=O)c1cn(C)c2ccccc12	851918027	UKFNVGZSSZAPFI-SNVBAGLBSA-N	304.350	1.157	50	20	DDGD	
O=C(NNc1cc(F)cc(Cl)c1)[C@H]1CCc2nnnn2CC1	855620755	ARIDROMKXUDQHG-QMMMGPOBSA-N	324.747	1.561	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccc[nH]2)cc1OC	755374116	QXQUKOZLLDNDLR-UHFFFAOYSA-N	304.306	1.498	50	20	DDGD	
Cc1nn(-c2ccccc2)cc1C=NNC(=O)N1CCOCC1	755674571	ZMSHDFRHKVTNFU-UHFFFAOYSA-N	313.361	1.556	50	20	DDGD	
CC(C)OCCS(=O)(=O)NC[C@]1(C)C[C@@H]1Br	856753930	AIQCDKFZMJSYCT-UWVGGRQHSA-N	314.245	1.504	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc(-c2ccccc2)c(C)c1	763515901	WMOJMTRYBFJVBM-UHFFFAOYSA-N	311.341	1.768	50	20	DDGD	
CSCC(C)(C)NCC(=O)NNC(=O)c1cccs1	934672456	LEEFXHSYEQYXOW-UHFFFAOYSA-N	301.437	1.240	50	20	DDGD	
CCOC(=O)N1CCC(C(=O)NNc2cccc(C)n2)CC1	862525782	WDILFXCIWQUGDB-UHFFFAOYSA-N	306.366	1.702	50	20	DDGD	
C[C@H](NNC(=O)Cc1cnn(-c2ccccc2)n1)C(F)(F)F	862310444	XRPHMJHDLBHIID-VIFPVBQESA-N	313.283	1.381	50	20	DDGD	
CC(C)c1ccccc1OCC(=O)NNC(=O)c1cn[nH]c1	862474161	NFNSPLJQGPOMPK-UHFFFAOYSA-N	302.334	1.373	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2CCO[C@@H](C(C)C)C2)n1	933985512	IQMNUNKGCHHVCI-VXGBXAGGSA-N	308.382	1.688	50	20	DDGD	
CNC(=O)[C@@H]1CCCN(S(=O)(=O)CC(C)(C)CCl)C1	866768949	HFQZPHZTDNMTBT-SNVBAGLBSA-N	310.847	1.039	50	20	DDGD	
COc1ccc(S(=O)(=O)NCC(Cl)Cl)cc1OC	867471364	HIXYSEJNFVVNPD-UHFFFAOYSA-N	314.190	1.786	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN1C1CCCC1)Nc1ccccc1	860218703	ZIDZYVZLFYQGOA-CQSZACIVSA-N	302.378	1.856	50	20	DDGD	
COc1ccc(C(=O)NNc2nccnc2Cl)nc1Cl	768713176	YLLJCGFSURCBOR-UHFFFAOYSA-N	314.132	1.944	50	20	DDGD	
CS[C@H](CO)[C@H](C)NS(=O)(=O)CC(C)(C)CCl	867018587	UHGVFKYSMDKLDL-DTWKUNHWSA-N	303.877	1.283	50	20	DDGD	
Nc1cnnc(NNC(=O)NC[C@@H]2C[C@H]3C=C[C@H]2CC3)c1Cl	1117990224	SDLCFZLZXPIJJQ-GUBZILKMSA-N	322.800	1.941	50	20	DDGD	
CCC(O)(CC)CN(C)CC(=O)NNC(=O)c1cccc(C)c1	860066079	QEYPUVMNLBDZTH-UHFFFAOYSA-N	321.421	1.239	50	20	DDGD	
CCc1ccc(S(C)(=O)=O)cc1C(=O)NNc1cccnn1	760153840	HHNDEELQGKEUCU-UHFFFAOYSA-N	320.374	1.199	50	20	DDGD	
CC1(C)CC(=NNC(=O)c2cn[nH]c2)c2cc(O)ccc2O1	863154184	QLWFRIITAQSHII-UHFFFAOYSA-N	300.318	1.811	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)[C@@H]1CSCCS1	874954806	ASGAHIXWCBLKHQ-QMMMGPOBSA-N	314.461	1.248	50	20	DDGD	
Cc1ccc(NC(=O)NCC(Cl)Cl)cc1-n1cnnn1	878175022	WLXYJTYWJXRJMX-UHFFFAOYSA-N	315.164	1.896	50	20	DDGD	
COC(=O)C(=O)NN=C/C=C1\N(C)c2ccccc2C1(C)C	1116191427	IOEYKRIEIZCNIB-BTTZNLARSA-N	301.346	1.573	50	20	DDGD	
COCCOCC(=O)NN=C1CCc2cccc(Cl)c2C1	872400603	VTXLNERQTATOMM-UHFFFAOYSA-N	310.781	1.964	50	20	DDGD	
O=C(NN=Cc1cnsc1)C1CCN(c2ncccn2)CC1	872349124	HAOGRHODRJRBEU-UHFFFAOYSA-N	316.390	1.300	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1c(O)cccc1O	770401112	DKJBXRBCLJPOJH-UHFFFAOYSA-N	316.313	1.076	50	20	DDGD	
Cc1csc(CCCNC(=O)NNC(=O)C2CCCC2)n1	1116769832	VUDLERFBDIGAQE-UHFFFAOYSA-N	310.423	1.905	50	20	DDGD	
Cn1cc(C#N)c(NC(=O)NNc2cnc3ccccc3n2)n1	775660837	ANPTVVUOKANEAD-UHFFFAOYSA-N	308.305	1.384	50	20	DDGD	
Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)CCO	1116198974	CBBVBPYWYOPUSN-UHFFFAOYSA-N	306.753	1.667	50	20	DDGD	
CC(C)[C@](C)(O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	770212726	RYVDZNQJRKHRRD-JPVQUXCTSA-N	308.422	1.757	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN[C@@H](C)C2CCOCC2)c1	775461220	USSGUFFVHOTTTO-ZDUSSCGKSA-N	319.405	1.161	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2cccc(C#N)c2)[C@H]1OC	776524782	IXQNJJBPAASFSJ-MGPQQGTHSA-N	304.350	1.377	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cc(-n2ccnc2)ccc1O	874455220	DSMVWIUQMPZPAU-UHFFFAOYSA-N	300.318	1.139	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)C2=CCOCC2)cc1	874953153	UVJCXAIGOUUZMU-UHFFFAOYSA-N	320.418	1.417	50	20	DDGD	
N#Cc1cnn(-c2ccc(C(=O)NNc3ccccn3)cc2)c1N	777469159	ZKSNABZKMMPJHZ-UHFFFAOYSA-N	319.328	1.478	50	20	DDGD	
CCOC(=O)N1CC[C@@H](NC(=O)NNc2ccc(F)cc2)C1	771379762	MTAUKNRYWYCBHI-GFCCVEGCSA-N	310.329	1.683	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCC(=O)OC1CCCCC1	875565101	CHZLXYIZBYPSOZ-UHFFFAOYSA-N	301.343	1.165	50	20	DDGD	
CCC(CC)CNC(=O)NNc1nc(O)c2cnn(C)c2n1	770402945	YZSHYJRQLFXHPX-UHFFFAOYSA-N	307.358	1.131	50	20	DDGD	
COCCO[C@@H]1COCC[C@@H]1NC(=O)NNc1ccccc1	777279097	NAXMIGFJNYIKLY-UONOGXRCSA-N	309.366	1.133	50	20	DDGD	
CC(=O)NNC(=O)Nc1cc(-c2cc(F)cc(F)c2)nn1C	772676600	FVHHQILOPHCFJM-UHFFFAOYSA-N	309.276	1.538	50	20	DDGD	
CCC(C)(C)NC(=S)NNC(=O)COCc1ccccc1	774182506	FMSIVXTUOSBXNO-UHFFFAOYSA-N	309.435	1.887	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc2ccccc2n1	880490201	NBVLNWSGGNPSER-JQWIXIFHSA-N	314.345	1.813	50	20	DDGD	
O=C(NNc1ccccn1)Nc1ccn(Cc2ccccn2)n1	779060156	DGTRMKQYKDAHJB-UHFFFAOYSA-N	309.333	1.870	50	20	DDGD	
O=C(NC[C@H]1CCC[C@@H]1C1CC1)NNC(=O)c1cccnn1	883690005	ZKVRPPZFFLARGU-VXGBXAGGSA-N	303.366	1.247	50	20	DDGD	
COc1ccc(C2(C(=O)NNc3nc[nH]n3)CCCC2)cc1	880018720	UDDWVWGHFOHMCN-UHFFFAOYSA-N	301.350	1.768	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC(C)(C)OC(C)(C)C1	785522628	YMVWNMWHQUHGLG-GFCCVEGCSA-N	313.442	1.458	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2ccc(F)cn2)c1	780842411	KNQIAVVTHQPSGO-UHFFFAOYSA-N	318.308	1.834	50	20	DDGD	
Cc1nn[nH]c1C(=O)NNc1ccc(OC(F)(F)F)cc1	789996218	LZAZTWJFLPOPSW-UHFFFAOYSA-N	301.228	1.769	50	20	DDGD	
CC(=NNC(=O)CCNC(=O)OC(C)(C)C)c1cc(C)nn1C	789036569	GMDCPNYIRLZDMB-UHFFFAOYSA-N	323.397	1.484	50	20	DDGD	
CCNC(=O)NC1(C(=O)NNc2ccnc(F)c2)CCCC1	781363497	DZDZRCKQUUOLCN-UHFFFAOYSA-N	309.345	1.296	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@H](C)N1CCc2ccccc21	887151763	JMBYNIZQGQKOHQ-AWEZNQCLSA-N	313.401	1.779	50	20	DDGD	
CC(=NNC(=O)Cn1cnc2ccccc21)c1cc(C)nn1C	788967158	WSCBNSGMWORRBM-UHFFFAOYSA-N	310.361	1.619	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NC[C@@H]1C=CCC1	883833294	YYSSHKLASNLBDI-NWDGAFQWSA-N	321.352	1.890	50	20	DDGD	
Cc1cc(C(=O)NNc2cccnn2)nn1-c1cccc(C#N)c1	780532160	PZKRDVCVSKWGMF-UHFFFAOYSA-N	319.328	1.599	50	20	DDGD	
Cc1cccnc1[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCCCO1	1122392918	ZPIUSQQWVGMORM-NEPJUHHUSA-N	306.366	1.351	50	20	DDGD	
C[C@H](c1ccccc1)[C@@H](O)CNS(=O)(=O)CCCCl	882418236	DBMJMHWTCBASTP-YPMHNXCESA-N	305.827	1.699	50	20	DDGD	
CN(C)[C@@H](C(=O)NNc1ncncc1Cl)c1ccccc1	781830442	UODIYBPURLBYID-GFCCVEGCSA-N	305.769	1.876	50	20	DDGD	
CC(C)Cc1cc(NC(=O)C(=O)NNc2ccccc2)n(C)n1	784769699	LTGUCSQYRFOSMI-UHFFFAOYSA-N	315.377	1.700	50	20	DDGD	
N#CCn1cc(NC(=O)C(=O)NNc2ccc(Cl)cc2)cn1	783340355	PJWFWEPRBZYZSE-UHFFFAOYSA-N	318.724	1.142	50	20	DDGD	
CC(=NNC(=O)[C@H]1COc2ccccc2O1)c1nccnc1C	783508437	XMWNXFKDHFGBHU-CQSZACIVSA-N	312.329	1.465	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@H]1CCS(=O)(=O)C1	781068847	QPTJXKPLBGPHBY-JGVFFNPUSA-N	312.229	1.099	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccc(Cl)nc2)c(C)n1	782851123	INPISUQGTDLSHH-UHFFFAOYSA-N	309.757	1.643	50	20	DDGD	
C[C@@H]1CC[C@@H](NC(=O)NNC(=O)COc2ccc(F)cc2)C1	780788683	ZJVHJKXNHBULIC-ZYHUDNBSSA-N	309.341	1.724	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cc(O)ccc1[N+](=O)[O-]	788301683	RXBQZXPUBFCVAT-UHFFFAOYSA-N	318.245	1.966	50	20	DDGD	
COc1ccc(C(=O)NNc2ncncc2Cl)nc1Cl	781836217	KMTLMLNDUHMKIT-UHFFFAOYSA-N	314.132	1.944	50	20	DDGD	
CC[C@@H]1CC[C@@H](C)CC1=NNC(=O)N[C@H]1CCS(=O)(=O)C1	797401675	LKRGRVILKCTCCV-UTUOFQBUSA-N	315.439	1.675	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-]	790548109	UNVPXSRUOHCTRO-UHFFFAOYSA-N	318.692	1.280	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccc(OC)cc1[N+](=O)[O-])C(=O)OC	790789956	NNDPKNDMKXEMIV-VIFPVBQESA-N	311.294	1.246	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccccc1-c1nnc(C)o1	798305054	RFZHJBRSFBUQEB-UHFFFAOYSA-N	317.374	1.340	50	20	DDGD	
Cc1cnc(COCC(=O)NNC(=O)CCc2ccccc2)o1	795909996	CBKVSKJOZULTSV-UHFFFAOYSA-N	317.345	1.280	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)COC(C)(C)C)cc1C	798307228	LVNAZVNGIVRFAW-UHFFFAOYSA-N	321.377	1.204	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCc2cc(Cl)ccc2C1	792307480	NMSBMMGXNRWICQ-SNVBAGLBSA-N	309.797	1.644	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCCC[C@H]1C[C@@H](C)O	790429550	FNEORRQZHQFNPW-RDBSUJKOSA-N	313.442	1.194	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCc3ccc(Cl)cc32)CC1	790176787	UFDCBWCUHDLHMG-UHFFFAOYSA-N	306.797	1.947	50	20	DDGD	
COC1(CC(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)CCC1	790120575	RWEDQIXYBODMLC-NSHDSACASA-N	324.352	1.700	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1c(F)ccc(O)c1F	794519926	PUKQEVPYGVHSBV-MRVPVSSYSA-N	302.277	1.172	50	20	DDGD	
Cc1cc(NNC(=O)c2cn(C)nc2-c2ccoc2)nc(C)n1	790749718	JGJLAHFVLJPCMY-UHFFFAOYSA-N	312.333	1.844	50	20	DDGD	
O=C(CSCc1ccc(Cl)cc1)N1CC[C@@H](B(O)O)C1	585074151	JAYNZWCFVARBND-LLVKDONJSA-N	313.615	1.649	50	20	DDGD	
Cc1cnc(Cl)c(NC(=O)C(=O)NNc2ncccc2C)c1	792374399	AHRAFBSYYPSVCF-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2cc(C(N)=O)cs2)CC1	1319060958	QXGDYSXMWRDFQZ-UHFFFAOYSA-N	322.434	1.419	50	20	DDGD	
COc1ccnc(NNC(=O)c2cnn(C3CCCCC3)c2)n1	1318371222	OICHAPXVDRFLIE-UHFFFAOYSA-N	316.365	1.944	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C1(c2cccc(C#N)c2)CC1	1324167158	KKLMFVBQHXOCER-UHFFFAOYSA-N	308.341	1.390	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(-n2cccn2)c(F)c1	1320789178	LQXLDKKUCKLIND-UHFFFAOYSA-N	305.313	1.318	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2nnn(C(C)(C)C)n2)CC1	1327643664	LXXOVKCDPSBWPG-UHFFFAOYSA-N	321.429	1.000	50	20	DDGD	
Cn1c(=O)cc(C(=O)NNc2cccc(F)n2)c2ccccc21	1324379156	QMYNXGPXWQEVCS-UHFFFAOYSA-N	312.304	1.830	50	20	DDGD	
COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NNc2ccn(C)n2)c1	1331514727	WUXJKLVDKMZAQE-WCQYABFASA-N	316.361	1.684	50	20	DDGD	
Nc1ncc2c(n1)CN(C(=O)c1cccc(CCl)c1)CC2	1335981984	NWLDGOWEXSFBAK-UHFFFAOYSA-N	302.765	1.996	50	20	DDGD	
COc1ccc(F)c(C(=O)NNC(=S)NC(C)C)c1OC	1343481825	UDSNPFXOLMIUQB-UHFFFAOYSA-N	315.370	1.360	50	20	DDGD	
O=C(CCl)N1CCN(C(=O)c2ccc(F)cc2F)CC1	1341509437	DCRNJRWCCZKNTN-UHFFFAOYSA-N	302.708	1.488	50	20	DDGD	
C[C@]12CN(C(=O)NNC(=O)c3cn[nH]c3)C[C@H]1[C@H]1CC[C@@H]2C1	1340363779	CUQMXCJAABQMLB-XDYICZGBSA-N	303.366	1.132	50	20	DDGD	
N#Cc1cccc(C2(C(=O)NNC(=O)N=c3cc[nH]cc3)CC2)c1	1340042882	NROVYQBHOATKKX-UHFFFAOYSA-N	321.340	1.260	50	20	DDGD	
COc1cccc(C[C@@H](O)C(=O)NN[C@H](C)C(F)(F)F)c1	1351617963	RWLPHSAXYRQZEJ-LDYMZIIASA-N	306.284	1.170	50	20	DDGD	
O=C(NCc1ccc(-c2ccco2)cc1F)NNC(=O)C(=O)O	1608465077	LCPVVPANNVJPIM-UHFFFAOYSA-N	321.264	1.001	50	20	DDGD	
CON1CCC(NC(=O)NNc2cccc(C(=O)O)c2)CC1	1606994582	MFQONLHTXWXFGE-UHFFFAOYSA-N	308.338	1.037	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)NCc2cccc(O)c2)cc1	1602127894	DMOLDSVZBLJMOQ-UHFFFAOYSA-N	315.329	1.846	50	20	DDGD	
O=C(CC[C@@H]1C[C@H](C(=O)O)CO1)NNc1ccc(F)c(F)c1	1601285264	UJWQDWBBEXLERI-WCBMZHEXSA-N	314.288	1.678	50	20	DDGD	
O=C(O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)NNc1ncccc1F	1608818726	RAXCNCWNDFIIPL-XPXLGCRWSA-N	305.309	1.577	50	20	DDGD	
O=C(O)C1(C(=O)NNc2c(F)cc(F)cc2F)CCOCC1	1605935988	WJCKVNCUIVKNTN-UHFFFAOYSA-N	318.251	1.428	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)Nc1cc(C(=O)O)cs1	1601553705	RBRSYXIUFZJBQW-UHFFFAOYSA-N	313.335	1.026	50	20	DDGD	
O=C(O)[C@]1(C(=O)NNc2ncccc2F)C[C@@H]1c1ccccc1	1608566746	XRKKSPJHCGBFBY-BDJLRTHQSA-N	315.304	1.922	50	20	DDGD	
Cc1ccc(NNC(=O)CCc2cncn2C)cc1C(=O)O	1600463072	VOBWGGRKXYINPF-UHFFFAOYSA-N	302.334	1.503	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C23CCC(C(=O)O)(CC2)C3)o1	1600341313	BNTTXSAMIOPDOO-UHFFFAOYSA-N	306.318	1.384	50	20	DDGD	
O=C(O)/C=C/c1ccc(C(=O)NNC(=O)c2ccccc2F)o1	1601878339	YPPAQSMOFKJKGH-SOFGYWHQSA-N	318.260	1.591	50	20	DDGD	
Cc1ccn([C@@H](C)CC(=O)NNc2ncccc2C(=O)O)n1	1605359721	HLAPJZMJIQCWAD-JTQLQIEISA-N	303.322	1.379	50	20	DDGD	
CCc1cnc(CC(=O)NNc2cccc(C(=O)O)c2C)[nH]1	1605836422	GRBPXPVMXBBOLE-UHFFFAOYSA-N	302.334	1.665	50	20	DDGD	
CC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)C)C2	1800070112	YYHFVSXVCMNUDA-RNJOBUHISA-N	315.845	1.204	50	20	DDGD	
Cn1cc([C@H]2OCCC[C@@H]2C=NNC(=O)c2cccnc2)cn1	1552448522	UFBVVJZSMKIABB-DOMZBBRYSA-N	313.361	1.699	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)N[C@H]1C[C@H](C(=O)O)C1	1574578405	GTXXMXFODLAQCK-MGCOHNPYSA-N	317.301	1.240	50	20	DDGD	
C=CCCn1cc(C(=O)NNc2cccc(C(=O)O)c2)nn1	1573360385	NGCMXDBZVKPVBV-UHFFFAOYSA-N	301.306	1.309	50	20	DDGD	
CC[C@@H](NC)C(=O)NNc1cc(C#N)ccc1Br	1577172289	SMRYWFJCRSKOJR-SNVBAGLBSA-N	311.183	1.762	50	20	DDGD	
C=CCCC(=O)NNC(=S)Nc1cccc(-c2cnn[nH]2)c1	1575087745	LSKMXZDFIFJOJD-UHFFFAOYSA-N	316.390	1.756	50	20	DDGD	
Cc1cc(F)c2c(c1)N[C@H](C(=O)NNC(=O)[C@@H]1CCCS1)C2	1579610733	MDBXQVDSUGCWOM-STQMWFEESA-N	323.393	1.514	50	20	DDGD	
C=CCCC[C@H](N)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	1574908856	YOJXGLDRAVRIBM-LBPRGKRZSA-N	306.322	1.039	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)CCC23CC(CN2)C3)c1	1578426735	DGMFDMAPOKEFHL-UHFFFAOYSA-N	316.405	1.046	50	20	DDGD	
CC1(C)CN[C@H]1C(=O)NNC(=O)Cc1ccc2ccccc2c1	1573614427	KFOXLQFFZCYVMM-INIZCTEOSA-N	311.385	1.528	50	20	DDGD	
C=C(CBr)CN1CCN(CCC(=O)O)C[C@@H]1C	1588606310	WHAXASSIMFCQNR-NSHDSACASA-N	305.216	1.418	50	20	DDGD	
CN(NC(=O)Nc1ccc(CC(=O)O)cc1)c1ccccn1	1598542117	WKMZNCXJTDFWGE-UHFFFAOYSA-N	300.318	1.882	50	20	DDGD	
CCc1[nH]c(C(=O)NNC(=O)CC(F)(F)F)c(C)c1C(=O)O	1597369102	DHEKWXJQROVPGK-UHFFFAOYSA-N	321.255	1.297	50	20	DDGD	
COCCN(CCC(=O)O)C(=O)/C(C#N)=C\c1ccc(F)cc1	1594001262	OEPKHDXYBOONEQ-RAXLEYEMSA-N	320.320	1.682	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2cccc(CC(=O)O)c2)cn1	1594537470	JJVNUDZNGMGUPH-ACAGNQJTSA-N	310.313	1.593	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H]1C(=O)NNc1cccc2c1OC(F)(F)O2	1595182696	ZUEGJVQTBRKFHD-RNFRBKRXSA-N	314.244	1.562	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)N[C@H]1C[C@H](C(=O)O)C1	1594780087	HSOMKNVYOLJFHT-ZKCHVHJHSA-N	311.725	1.147	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)c2ccc(C(=O)O)cc2)cn1	1776100792	AKYIOGJZPKQJII-UHFFFAOYSA-N	313.317	1.005	50	20	DDGD	
COc1ccnc(C=NNC(=O)Nc2ccc(C(=O)O)cc2)n1	1776045670	DBPYZUSZWNUPBS-UHFFFAOYSA-N	315.289	1.339	50	20	DDGD	
CC(=NNC(=O)c1cccc(C(=O)O)c1)c1cn(C)c(C)n1	1776095742	QWHKKQQIYAATFH-UHFFFAOYSA-N	300.318	1.581	50	20	DDGD	
COC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Cl)C2	1792651473	AWJNLXGGZVYBBK-VLEAKVRGSA-N	320.792	1.584	50	20	DDGD	
Cc1ccc(C[C@@H](C)NC(=O)NNC(=O)c2ccc[nH]2)s1	162082992	PSPIUMCHLMWGCB-SECBINFHSA-N	306.391	1.960	50	20	DDGD	
Cc1ccc(C(C)(C)C(=O)NNc2ccc(C(N)=O)nn2)cc1	158991963	WMCILAUAEVHZSS-UHFFFAOYSA-N	313.361	1.305	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc(N(C)C)cc2)n1	153180401	QOSSMHHBOPLKAG-UHFFFAOYSA-N	302.338	1.700	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1C(=O)NNc1ncccc1[N+](=O)[O-]	153424394	RBGFABAGMZWUFH-UHFFFAOYSA-N	318.337	1.778	50	20	DDGD	
CC(=O)NNC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F	155596727	NXRIMIYFUURXFY-SECBINFHSA-N	311.210	1.919	50	20	DDGD	
O=S(=O)(CCCCl)N1CCCN(C[C@@H]2CCCO2)CC1	37842856	DYMDPTLEYITHPQ-ZDUSSCGKSA-N	324.874	1.132	50	20	DDGD	
CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(CCl)cc1	311387450	PQBNGXHBSGVFQQ-UHFFFAOYSA-N	304.799	1.134	50	20	DDGD	
CC(CCN1C(=O)c2ccccc2C1=O)=NNC(=O)C(F)F	782230048	DEGGRHNRVBFEAL-UHFFFAOYSA-N	309.272	1.430	50	20	DDGD	
CS[C@H](C)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	103523356	DBAZSWUXRAURLJ-SSDOTTSWSA-N	324.374	1.878	50	20	DDGD	
O=C(Cn1nnc2ccccc2c1=O)NNc1ccc(F)cc1	52735839	IWCSHLVVCKCNGX-UHFFFAOYSA-N	313.292	1.074	50	20	DDGD	
CNC(=O)NNC(=O)CCc1nc(-c2ccc(C)c(F)c2)no1	56377323	ZLYXFEHUOZXULY-UHFFFAOYSA-N	321.312	1.077	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNC(=O)c1cccc2ncccc12	106812412	FJUFVDYEGQNWOH-UHFFFAOYSA-N	323.356	1.660	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Cc1noc2ccccc12	103424433	WRESEPSFHVOGMI-UHFFFAOYSA-N	310.313	1.155	50	20	DDGD	
CN1/C(=C(\C#N)C(=O)Cn2nccc2[N+](=O)[O-])Nc2ccccc21	178466359	FULMVKBYVBVYJY-XNTDXEJSSA-N	324.300	1.657	50	20	DDGD	
Cc1noc(Cl)c1CC(=O)NNC(=O)c1ccc(C#N)cc1	119716928	SAXKIXIYBLYICJ-UHFFFAOYSA-N	318.720	1.512	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2n[nH]c3ccccc23)c1	22629931	DSNILZGXSZXQCR-UHFFFAOYSA-N	323.356	1.704	50	20	DDGD	
CC1(C)CCC[C@@H](C(=O)NNC(=O)C(=O)Nc2ccccn2)C1	179017022	SQZOLOPIYDCARF-LLVKDONJSA-N	318.377	1.384	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])o1	67435560	VVSIBLYNJPOYIV-UHFFFAOYSA-N	305.246	1.271	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccc[nH]2)C12CCCC2	173514351	OOEZIZPBAZXNGL-OLZOCXBDSA-N	320.393	1.697	50	20	DDGD	
O=C(CS(=O)(=O)C1CCCC1)NNc1ccnc(F)c1	182432019	KUZGAXJWJUAWKI-UHFFFAOYSA-N	301.343	1.021	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cccc(C(F)F)c1	171469671	QDYGEOFDDJKCHK-UHFFFAOYSA-N	301.293	1.605	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1C[C@]12CCc1ccccc12	173363295	ZMSYVFAWAPFNTJ-CJNGLKHVSA-N	301.415	1.572	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@H](C)OCC2CC2)c1	64462422	QWYKHABDZIFQDC-LBPRGKRZSA-N	306.362	1.336	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)nc(C)n1	128729755	UOVDRLMENMBFNP-ZDUSSCGKSA-N	312.329	1.318	50	20	DDGD	
Cc1ccc(NNC(=O)NCCOc2ncccc2Cl)nn1	126005706	FQTNQLLZYKKHKJ-UHFFFAOYSA-N	322.756	1.539	50	20	DDGD	
Cc1cnc(C(=O)NNc2ccc(-c3ccccc3)nn2)cn1	128128280	PCUFCZDJUVPKSY-UHFFFAOYSA-N	306.329	1.999	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(Oc2ccccc2)nc1	122888376	KDPWANBUQZZNEX-UHFFFAOYSA-N	300.318	1.838	50	20	DDGD	
O=C(NCCc1cc2ccccc2o1)NNC(=O)c1ccc[nH]1	120777802	NXVJKALOSZHIPQ-UHFFFAOYSA-N	312.329	1.948	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)c2cc3ccccc3o2)CCCO1	121912817	FILMAPWGGCFYGF-INIZCTEOSA-N	317.345	1.946	50	20	DDGD	
CCc1nn(C)c(CC)c1CC(=O)NNc1nccc(OC)n1	188420204	YWZVFZYNIDWZRU-UHFFFAOYSA-N	318.381	1.029	50	20	DDGD	
CCO[C@H](C)c1nccn1CC(=O)NNC(=O)c1ccccc1	124182142	RRYUGFXMFJQOLZ-GFCCVEGCSA-N	316.361	1.442	50	20	DDGD	
CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)CCCCCl	154201800	SWDCCXUGDHZWSL-JTQLQIEISA-N	319.876	1.090	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1	181962870	RJVZPUXLWKPYRA-LLVKDONJSA-N	318.377	1.874	50	20	DDGD	
O=C(CCNS(=O)(=O)c1ccccc1)NNc1ccccc1	70716407	NHVKIJIHZNVCSQ-UHFFFAOYSA-N	319.386	1.498	50	20	DDGD	
NNC(=O)CCC[S@@](=O)c1ccc(Br)cc1	121206048	CDLPGSJHTATBFH-INIZCTEOSA-N	305.197	1.327	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Nc1ncnn1C)c1ccccc1	183335878	QCLOCASODSAYIZ-LLVKDONJSA-N	302.338	1.162	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(C)ccc1F	77163833	WXIQSVYAEXMBPH-UHFFFAOYSA-N	309.341	1.200	50	20	DDGD	
O=C(COc1ccccc1O)NNc1nnc(C2CC2)s1	184536675	QRTSLWPZTBEULU-UHFFFAOYSA-N	306.347	1.643	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@H]1CCC(=O)C[C@@H]1C	138244962	RCVAZKSXHIZWNB-FZMZJTMJSA-N	318.373	1.390	50	20	DDGD	
O=C(NNC(=O)C1(O)CCCCC1)c1c[nH]c2ccccc12	86558703	BPCIXGVEADVAQD-UHFFFAOYSA-N	301.346	1.624	50	20	DDGD	
CCN1CCC(NC(=O)NNC(=O)c2ccccc2F)CC1	43292827	AYRDVPMBVLBGGX-UHFFFAOYSA-N	308.357	1.254	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cn1	193778247	FPVFJFRGONQPDM-UHFFFAOYSA-N	318.720	1.135	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCc2ccoc2)cc1	193301728	QSBUDLPEWITVDP-UHFFFAOYSA-N	303.318	1.497	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCOc1ccc(OC)cc1	41960673	LEQVPOICBOCSCB-UHFFFAOYSA-N	309.391	1.145	50	20	DDGD	
C[C@@H]1CCC[C@@H](NC(=O)NNC(=O)Cc2ccncc2)CC1	190973564	ZBFVPIPKKBXIRJ-TZMCWYRMSA-N	304.394	1.923	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2ccccc2OC(F)(F)F)N1	190184146	OEZLKHQXDKVJDM-MRVPVSSYSA-N	303.240	1.307	50	20	DDGD	
O=C(Cc1ccccc1)NNC(=O)Cc1cn2ccccc2n1	192838393	GPKHJZZRVFETCC-UHFFFAOYSA-N	308.341	1.267	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)C(=O)c1ccc2c(c1)CCC2	148534199	FNBJZTUWVBAKLV-UHFFFAOYSA-N	309.325	1.214	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1cccc(O)c1O	192999195	XXMMRKPBEHXITF-UHFFFAOYSA-N	300.314	1.492	50	20	DDGD	
CCNC(=O)CCCC(=O)NNc1cc(C#N)cc(Cl)n1	93542903	MXCUUNBMBXAGPZ-UHFFFAOYSA-N	309.757	1.356	50	20	DDGD	
CCO[C@H](CC)C(=O)NNC(=O)CCc1ccc(OC)cc1	98109138	OZTSZLUYVWOHBC-CQSZACIVSA-N	308.378	1.590	50	20	DDGD	
C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)NN[C@]1(C)CCS(=O)(=O)C1	246138392	ZKJJPVSSARYJAE-OWTLIXCDSA-N	317.455	1.192	50	20	DDGD	
CO[C@H](C)CCNC(=O)NNC(=O)c1ccc(Cl)cc1F	266989245	STHAIXGSSPRWJC-MRVPVSSYSA-N	317.748	1.848	50	20	DDGD	
CCS(=O)(=O)N1CCC[C@H](C(=O)NNc2ccccc2)C1	264873984	RQOWNMQIEIBWBH-LBPRGKRZSA-N	311.407	1.191	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)NC1CCCCCC1	264492793	PWCHOCUCQQMRHW-UHFFFAOYSA-N	321.377	1.824	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCc1nccs1)c1ccccc1	264656809	JIWXENKDGUVOFK-UHFFFAOYSA-N	318.402	1.951	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)C3(C)COC3)[nH]n2)cc1	272824372	LSURNAQWIMKONN-UHFFFAOYSA-N	314.345	1.183	50	20	DDGD	
C[C@H](CO)CCCNC(=O)NNC(=O)Cc1ccc(F)cc1	270575411	VYUCSFXKJLHIFB-NSHDSACASA-N	311.357	1.107	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)Nc1ccc(F)c(Cl)c1	274040234	FXJOZBYYYDEJFJ-UHFFFAOYSA-N	313.716	1.365	50	20	DDGD	
CN1CCC(O)(CNC(=O)/C(C#N)=C\c2ccc(F)cc2)CC1	273301299	YVXPUPVNJBYOAS-UVTDQMKNSA-N	317.364	1.306	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2cccc(S(C)(=O)=O)c2)no1	271960253	UFMVTZJRTVBDPV-UHFFFAOYSA-N	323.374	1.958	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2CCc3ccccc3OC2)nn1	374969074	PHDCAWBUYMXBQS-CYBMUJFWSA-N	313.361	1.805	50	20	DDGD	
CCS[C@H](C(=O)NNc1ccc(-n2ccnc2)nn1)C(C)C	286590144	KMGJLWIZXOGEKS-ZDUSSCGKSA-N	320.422	1.883	50	20	DDGD	
COCCOC1CCC(C(=O)NNc2ncccc2F)CC1	285857750	DZZKQPHFFZECJS-UHFFFAOYSA-N	311.357	1.886	50	20	DDGD	
CC1(C)CC[C@H]1NC(=O)NNc1cccc(S(C)(=O)=O)c1	287787991	BCMCDGYPZLSWJE-GFCCVEGCSA-N	311.407	1.905	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)CCCC#N	292001226	WZKNGKOQNRNJBN-SNVBAGLBSA-N	309.753	1.949	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@H]1C[C@@H](c2ccccc2)OC1=O	809738760	IOTURRYVBDREKY-NEPJUHHUSA-N	316.292	1.363	50	20	DDGD	
Cc1csc2ncc(C(=O)NCC(Cl)Cl)c(=O)n12	294534879	DJRIQFHXDSDMNI-UHFFFAOYSA-N	306.174	1.598	50	20	DDGD	
CCOc1ccc(C(=O)CCC(=O)NNC(=O)CC2CC2)cc1	294039217	DWHUXJYZBQOIKJ-UHFFFAOYSA-N	318.373	1.996	50	20	DDGD	
CSc1ccc(C(=O)NNC(=O)NC2CC2)cc1[N+](=O)[O-]	299227477	CVGZZYXLYYPDKU-UHFFFAOYSA-N	310.335	1.423	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(-c2csc(NNC(N)=O)n2)c1C	295285048	KZHQPEPJNJULJE-UHFFFAOYSA-N	323.378	1.927	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1cc(C(=O)O)c(C)[nH]1	800811566	ZUCAHFVTAUVWOJ-UHFFFAOYSA-N	315.329	1.723	50	20	DDGD	
CC(C)(C)OCCCC(=O)NNc1ccc(-n2ccnc2)nn1	804957407	JOXNGCAFWCDOBI-UHFFFAOYSA-N	318.381	1.701	50	20	DDGD	
COC(=O)[C@H]1CCC[C@@H](C(=O)NNc2ncc(F)cc2F)C1	297014684	RVSBPAYNCTUKJS-BDAKNGLRSA-N	313.304	1.782	50	20	DDGD	
Cc1ccc(C)c(OCCC(=O)NNC(=O)[C@@H]2CCCCO2)c1	295828039	YUSUWZYIWQRZFP-AWEZNQCLSA-N	320.389	1.789	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@](C)(O)C2CC2)c2ccccc2n1	804646914	XMNYFMICFNPLAM-QGZVFWFLSA-N	313.357	1.465	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2nccnc2C2CCC2)n1	293967560	JWPKNYZFFNTXLU-UHFFFAOYSA-N	301.354	1.421	50	20	DDGD	
O=S(=O)(CBr)NCc1noc2ccccc12	808308375	CBTZGFZPAOXIJF-UHFFFAOYSA-N	305.153	1.600	50	20	DDGD	
Cc1cc(CNC(=O)NNc2ccc3c(=O)[nH]ccc3c2)on1	806637154	YSPPBNMEOFLHFL-UHFFFAOYSA-N	313.317	1.651	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)nn1	802018903	RFGVBQRBLQQLPP-UHFFFAOYSA-N	322.756	1.808	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@@H]1CCCSC1	809950596	TXLHDRNZWXQRMD-ZWNOBZJWSA-N	322.386	1.117	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1cccnc1)Nc1cc(F)cc(F)c1	802002905	CGYVYPBHCQNEBA-LBPRGKRZSA-N	322.271	1.246	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)COCc1cccnc1	805162623	GHPCMTBRJGAKGE-UHFFFAOYSA-N	314.345	1.760	50	20	DDGD	
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NN(C)C(=O)OC	296282453	ZCHLHSDBSJITRV-UHFFFAOYSA-N	317.323	1.049	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H]2CCC[C@H](C(N)=O)C2)cc1	817882566	SYDJEUORYDHEJX-RYUDHWBXSA-N	305.378	1.820	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@H](O)c1ccc(Cl)cc1	813470756	SNVBAMSEVPDPEU-CQSZACIVSA-N	319.748	1.159	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)c1cc(F)c[nH]1	814721847	YMIWDFVESLRPGC-UHFFFAOYSA-N	321.308	1.393	50	20	DDGD	
CCCCNC(=O)NNC(=O)/C(=C/c1cccs1)NC(C)=O	817524776	GNQPZQRLNSVJFV-XFXZXTDPSA-N	324.406	1.356	50	20	DDGD	
O=C(C#Cc1ccc2c(c1)OCO2)NNc1cccc(Cl)n1	817009680	VJZPVSQAKAVIBT-UHFFFAOYSA-N	315.716	1.959	50	20	DDGD	
CC[C@@H](CNC(=O)NNc1ccccc1S(C)(=O)=O)OC	811969328	WRFSNFZHJTVNBK-JTQLQIEISA-N	315.395	1.141	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1nc2c(s1)CCCC2	814864332	AHFCODLPQKCMCT-JTQLQIEISA-N	311.407	1.524	50	20	DDGD	
Cc1cc(C#N)cnc1C(=O)NNC(=O)Cc1ccc(F)cc1	814760957	JVMKTVSENYJXJU-UHFFFAOYSA-N	312.304	1.405	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)CNc2ccc(C)cc2)on1	814712116	JPTAMJYBGYFEFP-UHFFFAOYSA-N	316.317	1.332	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCc2nc[nH]c2C1	819968437	SHLRZGDZKSNVMQ-UHFFFAOYSA-N	307.785	1.660	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(NC(=O)NN(C)C)c1	816406123	GFLRPTIOEKTQMU-GXFFZTMASA-N	306.366	1.648	50	20	DDGD	
CC(C)c1cnc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)s1	814781212	BGXHZGCKEDALKC-VIFPVBQESA-N	315.420	1.151	50	20	DDGD	
COc1cc(C=NNC(=O)CN(C)C)ccc1OC(F)F	727649077	CINLZKMCOVPWIH-UHFFFAOYSA-N	301.293	1.308	50	20	DDGD	
COc1ccsc1C(=O)NNC(=O)COc1ccccc1F	729966387	RAMUFZAJWAVSKM-UHFFFAOYSA-N	324.333	1.736	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN1C1CCCC1)OCC(F)(F)F	824620071	YGFCYUQOZXRLDX-SECBINFHSA-N	309.288	1.323	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@H](C)c1cnn(C)c1	822727818	ISGARDPOCYXKLP-SECBINFHSA-N	320.324	1.593	50	20	DDGD	
COC(=O)c1ccc(CC(=O)NN(C)C(=O)OC(C)(C)C)cc1	497010816	KVMRWCIKYDWWQE-UHFFFAOYSA-N	322.361	1.914	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1cccc2c(C)ccnc12	495520704	RQTXXRGTKGDMPD-UHFFFAOYSA-N	309.347	1.483	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCc2ccc(F)c(F)c2)cn1	490691035	DXMMGNBDYOALCW-UUILKARUSA-N	302.284	1.922	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cccc(NC(N)=O)c2)c1	728873241	VZLYVTNCFPGYCN-UHFFFAOYSA-N	323.312	1.124	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NN(C)C2CC2)cc1C(=O)OC	824210292	ALXLKWKRNAORNR-UHFFFAOYSA-N	321.333	1.391	50	20	DDGD	
COC(OC)C(=O)NNc1ccc(Br)cc1C	821163574	FKMADHPERDTPSU-UHFFFAOYSA-N	303.156	1.820	50	20	DDGD	
COCC[C@@](C)(O)CNC(=O)/C(C#N)=C/c1ccc(F)cc1	491084252	NMWYSSGEMLVUBF-LRFDDAOPSA-N	306.337	1.636	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccn(Cc2ccc(OC)cc2)n1	495547823	GOLBUUYJBPFVLV-UHFFFAOYSA-N	319.321	1.333	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1nnc2ccccn12	491009436	KEKXLDFHYJHPOH-FMIVXFBMSA-N	305.297	1.981	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)CO1	827607993	VMFGFHGSICFVDM-XOVPDBADSA-N	321.421	1.711	50	20	DDGD	
O=C(CCCC(=O)C1CC1)NNc1nc(-c2cccnc2)no1	823232095	JRTDCLXLPQJJQW-UHFFFAOYSA-N	315.333	1.724	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NN=Cc1csnn1	494298151	HKWXSFPQURTVAS-UHFFFAOYSA-N	313.383	1.293	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)C1CC1)c1c(Cl)cccc1Cl	825768137	BQKQXHAGKFTERQ-JTQLQIEISA-N	303.145	1.525	50	20	DDGD	
COCCN(C(=O)/C(C#N)=C\c1cnn(C)c1)[C@@H]1CC[C@@H](C)C1	491135817	UXIKVSWLLDHZAZ-CJKKJBIBSA-N	316.405	1.991	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(C)c1	825775841	GVDBTWOLNFMRLC-DZGCQCFKSA-N	319.405	1.601	50	20	DDGD	
Cn1nncc1/C=C(\C#N)C(=O)NCc1ccc(F)cc1F	490978370	WBWRQXDEVRFFEK-ONNFQVAWSA-N	303.272	1.317	50	20	DDGD	
Cc1cc(C(=O)N(C)CC(Cl)Cl)c(C)n1NC(N)=O	908223455	LKMGMAZSDUHXJL-UHFFFAOYSA-N	307.181	1.603	50	20	DDGD	
Cc1ccccc1C[C@H](C)NCc1ccc(B(O)O)cc1F	585021575	XFYMGZLHIYOFBE-ZDUSSCGKSA-N	301.170	1.535	50	20	DDGD	
CC(C)c1ocnc1C(=O)NNC(=O)COc1ccccc1O	732085420	JZFAUXIAGDRDND-UHFFFAOYSA-N	319.317	1.344	50	20	DDGD	
OB(O)c1ccc(CNc2ccc(OC3CCCC3)cc2)o1	585012206	PGQJAJKESKEJNZ-UHFFFAOYSA-N	301.151	1.893	50	20	DDGD	
COc1ncc(/C=C\C(=O)NNc2nc(C)cc(C)n2)cn1	492740716	RRAHYWJLJOWNQW-PLNGDYQASA-N	300.322	1.049	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21)c1ccc2ccccc2c1	906277968	RNQXTLRTAUSAGI-FVQBIDKESA-N	308.337	1.826	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1cncc(F)c1	737418519	UAVBUJMJBMHUPU-HNNXBMFYSA-N	315.304	1.901	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	733776830	SZEXOOXDJXRTQT-ADEWGFFLSA-N	309.391	1.189	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)CC1CC(F)(F)C1	823860998	RYCNIHTWSHQNNV-UHFFFAOYSA-N	322.315	1.839	50	20	DDGD	
Nc1ccc(C(=O)NN=Cc2cccc(OCC(=O)O)c2)cc1	733201112	OSUAGHPRROMOTL-UHFFFAOYSA-N	313.313	1.496	50	20	DDGD	
O=C(NN=C1C[C@]2(CCOC2)Oc2ccccc21)c1cnccn1	901165506	IYIJWIFYMJKXCZ-KRWDZBQOSA-N	324.340	1.552	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NN=C1CCn2ccnc21	496438149	USOGFFXOZHWFHP-UHFFFAOYSA-N	307.354	1.022	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCC(C)(CO)CO)cc1	491135554	UKWGWGQLJMWBSA-ZSOIEALJSA-N	318.373	1.099	50	20	DDGD	
C[C@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	496683510	IKSPQDGAQPZBPM-SKDRFNHKSA-N	319.361	1.242	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)c1ccc(Cl)cn1	736066323	BANOLIBGPWLXDW-UHFFFAOYSA-N	323.711	1.714	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CCCn1ccnc1)c1ccccc1	731174239	GUDYAAQAUOROQZ-UHFFFAOYSA-N	314.389	1.789	50	20	DDGD	
C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ccc(B(O)O)c(F)c1	584990255	SWHVDTAQEPTFDE-DGCLKSJQSA-N	321.201	1.792	50	20	DDGD	
Cc1cc(C)c(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(C)n1	831823442	YZINUAAZAMZWGI-VXGBXAGGSA-N	306.366	1.585	50	20	DDGD	
Cc1c(NC(=O)c2cccc(B(O)O)c2)cnn1C1CCCC1	584981798	GTMOGESYRBWCSE-UHFFFAOYSA-N	313.166	1.239	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H]1CCn2ccnc2C1	836563671	BNCLCIKVPMYQHJ-JTQLQIEISA-N	317.301	1.968	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCO[C@H](CF)C1	839803225	FJNDZVKYEPXHEC-LLVKDONJSA-N	303.765	1.549	50	20	DDGD	
O=C(NN=C1CCC(OC2CCCC2)CC1)C(=O)N1CCCC1	834949130	CKQFTZAKYQZQSK-UHFFFAOYSA-N	321.421	1.983	50	20	DDGD	
COC(=O)[C@]1(F)CCN(C(=O)[C@]2(C)C[C@@H]2Br)C1	906878853	MWXSCOIPQCLAKF-XROYCOCOSA-N	308.147	1.274	50	20	DDGD	
CC(C)CCn1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)n1	831560427	XQQOFQBIQBHORU-RYUDHWBXSA-N	323.397	1.507	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCC[C@@H]1c1ccsc1	584930344	VTQPVYANWDNEOF-CQSZACIVSA-N	301.176	1.405	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCC(CO)(CO)CC1	832561414	GGTYRQTZNMFTHG-ZROIWOOFSA-N	318.348	1.326	50	20	DDGD	
CN1CC[C@@H](C(=O)NN=c2sc3ccccc3n2C)CC1=O	906371046	HAWBKPGYFCESBT-SNVBAGLBSA-N	318.402	1.040	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2c3c(nn2C)CCC3)c1	907094209	FHRSTLCZZUACID-UHFFFAOYSA-N	304.325	1.813	50	20	DDGD	
CC(C)c1nn(C)cc1C(=O)NNc1cccc(C(=O)O)c1	833512078	NYXBBPCNNDBOFK-UHFFFAOYSA-N	302.334	1.999	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)N[C@@H]1C[C@H]1C1CCCCC1	836427532	AFLGOKUKPCGBKI-BFHYXJOUSA-N	309.410	1.855	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2(C)CCOCC2)c(F)c1	837210146	ZRCHWLKZSARCGF-UHFFFAOYSA-N	310.325	1.872	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@H]2CCO[C@H]2C)c(O)c1OC	901259918	UGHLUDZIOCRCKX-ONGXEEELSA-N	308.334	1.285	50	20	DDGD	
C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)NNc1ccncn1	836349574	TYKQBLHANDNDJQ-UPJWGTAASA-N	306.414	1.469	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(OCCOC)cc1	730463019	WRIXGWYDMQWCHK-UHFFFAOYSA-N	309.366	1.381	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cnn(-c2ccccc2)c1)C1CC1	733335704	ARVLKMIFNGWJRT-NSHDSACASA-N	313.361	1.615	50	20	DDGD	
CSCCc1ccc(NCc2ccccc2B(O)O)cc1	585012959	IEOPUWPFLXYUEA-UHFFFAOYSA-N	301.220	1.884	50	20	DDGD	
O=S(=O)(CCl)NCc1nc(Cc2ccccc2)no1	830206770	XFZYRKRZGAPSET-UHFFFAOYSA-N	301.755	1.276	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C1C[C@@H](C)n2ccnc21	834920668	NYZQNPSBVRPETB-LLVKDONJSA-N	313.361	1.789	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@]2(C)CCCCO2)cc1	837658273	IRSUEJRMPWAANU-QGZVFWFLSA-N	320.389	1.734	50	20	DDGD	
Cc1cccc(Cl)c1NC(=O)C(=O)NNC(=O)C1CCCC1	839512102	IHXMKJUYXFCGQK-UHFFFAOYSA-N	323.780	1.925	50	20	DDGD	
O=C(NNC(=O)c1cnc(NC2CC2)s1)OCC(F)(F)F	912597342	QYTHCMOHQSTYFZ-UHFFFAOYSA-N	324.284	1.651	50	20	DDGD	
CC(C)C[C@H](C)OCCC(=O)NNC(=O)[C@@H]1CCCCO1	833246842	SMLFKLJTKHMOLU-STQMWFEESA-N	300.399	1.544	50	20	DDGD	
O=C(NNc1cccc(Br)n1)[C@H]1C[C@H]2CC[C@H]1O2	837210256	ISYSBFREXBXFAE-HRDYMLBCSA-N	312.167	1.855	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)[C@@H]1C[C@H]1c1cccc(F)c1	915513030	UGSHRLJIUFVEKT-WDEREUQCSA-N	302.327	1.214	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@H](C)N2CCCC[C@@H]2C)n1	916447025	FVEQPMCKVBBGGD-NWDGAFQWSA-N	322.413	1.374	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNc1nccnc1C1CCC1	839765861	XHHZCPRPIVBJNL-NSHDSACASA-N	305.382	1.335	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@@H]1CCCCO1)N1CCc2ccccc21	833250344	FKXKRDDPPCJBGY-DOMZBBRYSA-N	317.389	1.154	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCC[C@H]1CC	830189992	GMQYVEJWKILUNI-VXGBXAGGSA-N	300.399	1.749	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1ccccc1-n1cccc1	919897029	UDODGOMUWBPEOE-UHFFFAOYSA-N	321.340	1.761	50	20	DDGD	
COC(=O)NCCNC(=O)NNc1ccc(Cl)c(OC)c1	838716039	BHFYQMRFURVZLQ-UHFFFAOYSA-N	316.745	1.331	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CN1CCCC1=O)c1ccc(F)cc1	913732084	HKKVBQMVUYRBCM-CYBMUJFWSA-N	321.352	1.089	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CSC(C)C)cc1C	914457804	QNXAHHLGUNYNDH-UHFFFAOYSA-N	310.419	1.971	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NNC(=O)Cc1c[nH]c2ccccc12	916133533	WKGPTYULNIYIKU-TZMCWYRMSA-N	301.346	1.283	50	20	DDGD	
CC(=NNC(=O)CC(C)C)c1ccc(NS(C)(=O)=O)cc1	747043607	YQVSSIQMCJFMAW-UHFFFAOYSA-N	311.407	1.944	50	20	DDGD	
O=C(CCCn1cccn1)NNC(=O)c1cccc2cccnc12	748840589	FHMKFYFXWKXLJY-UHFFFAOYSA-N	323.356	1.673	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](C(C)C)N1CCCCC1	840572080	PMKREIURKPOHAK-LBPRGKRZSA-N	307.398	1.439	50	20	DDGD	
Cc1cc(C=NNC(=O)c2ccc3c(c2)OCCO3)n(C)n1	841615982	IQVVRGYPGAFRFN-UHFFFAOYSA-N	300.318	1.264	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCSc2ccccc21	843652506	JSUXZMQNWCRTBV-GVXVVHGQSA-N	320.414	1.838	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)[C@H]1CCc2nnnn2CC1	845856172	WQDXNOOHJNASFH-JTQLQIEISA-N	304.329	1.216	50	20	DDGD	
COc1ccnc(C=NNC(=O)[C@H](C)CN2CCCCCC2)n1	842522149	UEZZRAUPEHUIKV-CYBMUJFWSA-N	319.409	1.447	50	20	DDGD	
C[C@@H]1c2ccc(F)cc2CCN1CC(=O)NNC(=O)C(C)(C)C	744404343	OIVCVKMXALWKID-LLVKDONJSA-N	321.396	1.938	50	20	DDGD	
Cc1c(C(=O)O)oc2c1C(=NNC(=O)N1CCOCC1)CCC2	745591666	DFPNRMIZOXXEBD-UHFFFAOYSA-N	321.333	1.368	50	20	DDGD	
O=C(O)COc1ccccc1C=NNC(=O)NCC(F)(F)F	917550839	CNSJQHQWGUYGPB-UHFFFAOYSA-N	319.239	1.345	50	20	DDGD	
CCO[C@H](C)c1ncc(C(=O)NNc2nccc(OC)n2)s1	742528821	CZKVKWCBTSBMLU-MRVPVSSYSA-N	323.378	1.796	50	20	DDGD	
O=C(CCC(=O)c1ccccc1)NNC(=O)CC(F)(F)F	918365191	ZTJYROYSVOWFGY-UHFFFAOYSA-N	302.252	1.749	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@H]1NCCc2ccccc21	841998748	UXURQYHNSZJOGO-CQSZACIVSA-N	304.394	1.250	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)CNc1ccccc1OC	749755692	FAKFTVMXDGAYET-SNVBAGLBSA-N	310.423	1.401	50	20	DDGD	
Cn1ncc2c1C[C@H](C(=O)NNc1nc3ccccc3n1C)CC2	848380504	IEUVTRROVOYFJM-LLVKDONJSA-N	324.388	1.555	50	20	DDGD	
COCC[C@@H](C)CNC(=O)NNC(=O)CCOc1ccccc1	840398729	GOGMFRZQEPLRLE-CYBMUJFWSA-N	323.393	1.459	50	20	DDGD	
CO[C@@H](CC(=O)NNC(=O)c1ccc(C#N)cc1)C(F)(F)F	845340918	SFBSACUFJIDUEI-JTQLQIEISA-N	315.251	1.287	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cnc(Cl)c(Br)c1	910154064	BVXYEJZOCBNNEK-LURJTMIESA-N	322.590	1.455	50	20	DDGD	
CC[C@H](N)CNC(=O)NNC(=O)NCc1ccc(Cl)cc1	842007427	POVWEAFHCMSGFC-NSHDSACASA-N	313.789	1.091	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc2c(F)cccc2[nH]1	843971765	DMEJKFIGTWMSBW-IUCAKERBSA-N	305.309	1.493	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1ccc(F)nc1F	844685144	VVTILVOCEXJQFQ-MRVPVSSYSA-N	300.265	1.082	50	20	DDGD	
CC(=O)NNC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C	916556274	CIZUIBRNLBSDHX-UHFFFAOYSA-N	301.350	1.671	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cccc(C(F)(F)F)c1	744812987	XUSDMSTZNLYAGI-UHFFFAOYSA-N	301.268	1.680	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@H]1CCC[C@@H](C(N)=O)C1	846641874	STPLRVKXJUFBRK-ZJUUUORDSA-N	309.341	1.569	50	20	DDGD	
CO[C@H](C=NNC(=O)COc1ccc(C#N)cc1)[C@H]1CCOC1	841607550	WHFFDKOWJOKVTR-DZGCQCFKSA-N	317.345	1.091	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1	743251017	NBVQLVHYPGHDNA-UHFFFAOYSA-N	320.754	1.004	50	20	DDGD	
NS(=O)(=O)CCCCCC(=O)NNc1ccc(F)cc1F	845855113	VNGPAJXRPJPOQO-UHFFFAOYSA-N	321.349	1.257	50	20	DDGD	
Cc1c(NC(=O)NNc2ccc(C(F)(F)F)cn2)nnn1C	841792179	QZPKVNWCDTXSPN-UHFFFAOYSA-N	315.259	1.686	50	20	DDGD	
Cc1cnn(CC(=O)NNC(=O)c2cc3c(s2)CCC3)c1	918690798	WIKHHAWACMPGGC-UHFFFAOYSA-N	304.375	1.203	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(-n2ccnc2)cc1	843646582	QMVROMPFIJWSPX-SMDDNHRTSA-N	314.345	1.058	50	20	DDGD	
CCc1cnc(CN(C)CC(=O)NNC(=O)C(C)(C)C)s1	747845313	NOQACDQZBVVIFE-UHFFFAOYSA-N	312.439	1.331	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NCC(C)(C)OC	745889316	HCORTWARLHZJJT-UHFFFAOYSA-N	323.393	1.383	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1ccccc1C(C)(C)C	742028502	PGWJHXHQXCCNQR-UHFFFAOYSA-N	313.423	1.887	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC[C@@H](C)c1ccc(OC)cc1	745850103	GHSJTSYPTAKUNB-GFCCVEGCSA-N	323.393	1.556	50	20	DDGD	
COc1cc(SC)ccc1NC(=O)NNC(=O)CCCN	841215672	ACFZSRGSUOFHMX-UHFFFAOYSA-N	312.395	1.309	50	20	DDGD	
CN1C(=O)C(=NNC(=O)CCOc2ccccc2)c2ccccc21	920968632	VYMBTTLMDUJZKN-UHFFFAOYSA-N	323.352	1.952	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=O)c2cccc(F)n2)C1	857870862	IRZKBYLALLIVOA-WCBMZHEXSA-N	317.324	1.071	50	20	DDGD	
CC(=O)Nc1ccccc1C=NNC(=O)Cn1nc(C)cc1C	755565964	QKOQIKFHBYPVER-UHFFFAOYSA-N	313.361	1.609	50	20	DDGD	
CCc1nn(C)c(CC)c1C=NNC(=O)c1cccc(F)n1	853442102	IUWVEIZCIUDKFT-UHFFFAOYSA-N	303.341	1.843	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)c1cccn1C)OCO2	758870424	YKFVGBUYPKLEMT-UHFFFAOYSA-N	301.302	1.526	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Nc1ccn(CCC#N)n1	756653754	GSCHMPFMEFTUHB-UHFFFAOYSA-N	312.333	1.572	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1ncncc1Cl)C1CCCC1	852654227	CUGCLTKYHCQGLR-NSHDSACASA-N	313.789	1.961	50	20	DDGD	
CN(C)c1cc(C(=O)NNc2nc[nH]n2)cc(C(F)(F)F)c1	857261047	FAUUUXPAVJCNNF-UHFFFAOYSA-N	314.271	1.646	50	20	DDGD	
CC1(C)CS(=O)(=O)CCN1C[C@@H](CBr)C1CC1	859257854	GHZKRORBVRFTMQ-LLVKDONJSA-N	324.284	1.917	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@](C)(O)c2ccc(F)cc2)n1	929716158	PIZOSOVILXIYTG-OAHLLOKOSA-N	304.325	1.583	50	20	DDGD	
NC[C@H]1OCC[C@H]1C(=O)NN=C(c1ccccc1)c1ccccc1	852799576	FZKOZVYJVOSPHA-IAGOWNOFSA-N	323.396	1.919	50	20	DDGD	
CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)c1cc[nH]n1	855362348	RCDHZCMNCWBXDE-LLVKDONJSA-N	316.361	1.763	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1F	853389182	ATKKRDOUCUKZKY-WBMJQRKESA-N	319.380	1.919	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(NC(C)=O)c(C)c1	755635886	RQIHBCVHQUSFSY-UHFFFAOYSA-N	308.338	1.143	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)Cc2c[nH]c3ccccc23)O1	756899751	OPRPLZJMAOVPGJ-WFASDCNBSA-N	315.373	1.815	50	20	DDGD	
O=C(NN=Cc1cnc2ncccn12)c1ccc2c(c1)OCO2	755481947	WBCMCBTYRPZDGX-UHFFFAOYSA-N	309.285	1.222	50	20	DDGD	
CCNC(=O)C1(CNC(=O)NNc2cccc(C#N)c2)CCC1	753745737	GRTIDDXDUJSQPJ-UHFFFAOYSA-N	315.377	1.491	50	20	DDGD	
CC[C@H](Oc1ccccc1C)C(=O)NNC(=O)c1cc[nH]n1	855357919	UYDUAZZSBOLWBW-LBPRGKRZSA-N	302.334	1.337	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl	756965603	OIOJMFAWJACGKI-UHFFFAOYSA-N	314.729	1.735	50	20	DDGD	
CC(=NNC(=O)N(C)C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	853296773	QRLFHLDJTVHNOV-LLVKDONJSA-N	314.386	1.269	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ncoc1C(F)(F)F	855090477	XGZKUCKZMQOKOT-UHFFFAOYSA-N	322.312	1.602	50	20	DDGD	
O=C(Cc1ccc(F)c(Cl)c1)NNC(=O)N1CCOCC1	858905527	CCZGMIXACYRHRQ-UHFFFAOYSA-N	315.732	1.095	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@](C)(O)C2CCC2)c1C	855624324	JPSCHYNTSCIRAW-MRXNPFEDSA-N	306.362	1.776	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NNC(=O)NC(C)C)C1	751382256	PLLJCVWARDADMG-NEPJUHHUSA-N	312.414	1.010	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2	751210080	YSGLTFBOTRDVKK-DCAQKATOSA-N	321.402	1.062	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2[C@H]3c4ccccc4C[C@H]32)nc1	860446369	RDPAGBNBPQAQFV-VNQPRFMTSA-N	323.352	1.897	50	20	DDGD	
Cc1ccc(S(=O)(=O)NCC(Cl)Cl)cc1[N+](=O)[O-]	867471609	MJVWVCSGVRLXBC-UHFFFAOYSA-N	313.162	1.985	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(NC(=O)OC)cc1Cl	935911248	FLBHVXRABXHSEA-UHFFFAOYSA-N	315.757	1.741	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cccc(C)c1)C[C@H]1CCCO1	764215420	LXRFJVRDHAVWAA-OAHLLOKOSA-N	319.405	1.257	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CCc1cc(C)on1	936036496	QWDDFZCSLWUAAC-UHFFFAOYSA-N	317.345	1.314	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	864498003	YMBRAPPEYXMTCF-JTQLQIEISA-N	312.341	1.556	50	20	DDGD	
COCc1ccc(C=NNC(=O)[C@H]2COc3ccccc3O2)o1	764653534	GUWFNNJZHKTXFJ-OAHLLOKOSA-N	316.313	1.716	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(F)c1Cl)[C@@H](C)S(C)(=O)=O	862506524	AWXUASFSGUEJQJ-HTQZYQBOSA-N	322.789	1.991	50	20	DDGD	
OB(O)c1ccc(OCc2cc(Cl)c3c(c2)OCCO3)cc1	864048255	LIIKEJKQMWKFQR-UHFFFAOYSA-N	320.537	1.370	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCC(c3ncco3)CC2)cn1	862107915	SBHJMTLDTKAIFT-RIYZIHGNSA-N	311.345	1.721	50	20	DDGD	
CN(C)CC(=O)NN=Cc1c(O)cccc1Br	863089229	LXDLAPKFDGGWMF-UHFFFAOYSA-N	300.156	1.166	50	20	DDGD	
O=C(Cc1ccc(O)c(Cl)c1)NNC(=O)NC1CCCC1	865038412	NXTGCVJFJUSFTP-UHFFFAOYSA-N	311.769	1.861	50	20	DDGD	
COc1cc(C=NNC(=O)Cc2cc(C)[nH]n2)cc(OC)c1O	767395544	CHUKZKCISLVZEK-UHFFFAOYSA-N	318.333	1.134	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H]2CCN(C3CCCCC3)C2)cc[nH]1	862512909	LJOFXCZZUIWGQC-AWEZNQCLSA-N	302.422	1.910	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)COC/C=C\c1ccccc1	763364829	GSTIBJJSZHXTPJ-YVMONPNESA-N	314.345	1.209	50	20	DDGD	
COC(=O)C12CCC(C(=O)NN=c3cc[nH]cc3Cl)(CC1)C2	760512088	PKQXTLYQCYMBJB-UHFFFAOYSA-N	323.780	1.724	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2nc(-c3ccncc3)no2)CCC1=O	764103741	XUQITMOSQBABGL-ONGXEEELSA-N	315.333	1.580	50	20	DDGD	
CCNC(=O)NNC(=O)CCCOCc1ccc(OC)cc1	760380962	DSKAYYQYMLWXMN-UHFFFAOYSA-N	309.366	1.342	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc(-c2cc[nH]n2)s1	761626776	XJZDOUANPMSSEZ-UHFFFAOYSA-N	305.363	1.492	50	20	DDGD	
C[C@H](CO[C@H]1CCOC1)NS(=O)(=O)CC(C)(C)CCl	866942457	TXGWUGXPXRARAN-MNOVXSKESA-N	313.847	1.365	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H]2CCc3n[nH]cc3C2)c1	862478517	IJPQGTVNQDPHMN-VIFPVBQESA-N	304.375	1.346	50	20	DDGD	
O=C(NC[C@H]1CCCCN1C1CC1)NNC(=O)c1ccccc1	764760569	IXPHHFAPURPUCL-OAHLLOKOSA-N	316.405	1.648	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H]1CCO[C@H](c2cnn(C)c2)C1	1117775410	PSQKVEYKRXLFAI-WQRZCLJYSA-N	304.350	1.200	50	20	DDGD	
O=C(CC1CCN(CC(F)F)CC1)NNC(=O)C1CCC1	874456136	VJDUGAFTYLHFJQ-UHFFFAOYSA-N	303.353	1.301	50	20	DDGD	
CCSCC(=NNC(=O)COCCOC)c1ccccc1	872399851	DRFCXCSKQUPWFT-UHFFFAOYSA-N	310.419	1.923	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C(C)=O)cc1F	772238759	WLGISJWEPRHCEY-VIFPVBQESA-N	324.308	1.131	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)c[nH]1	778540320	QZPRKAHCOUUURW-UHFFFAOYSA-N	302.721	1.543	50	20	DDGD	
CCCn1cc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)cn1	772259289	QTJOUONNQFOXRD-NSHDSACASA-N	324.381	1.032	50	20	DDGD	
CCC1(C(=O)NNC(=S)Nc2ccccn2)CCOCC1	874956216	PVDHQJAYUCLOBO-UHFFFAOYSA-N	308.407	1.606	50	20	DDGD	
CNC(=O)C1(C(=O)NNC(=S)Nc2ccc(C)cc2C)CC1	873758912	ZZFMWNMUAWKGJW-UHFFFAOYSA-N	320.418	1.147	50	20	DDGD	
CCN(CC(=O)NNc1ccc(F)cn1)C(=O)OC(C)(C)C	874649986	MOUCFQLIHHCWPZ-UHFFFAOYSA-N	312.345	1.921	50	20	DDGD	
CN(NC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F)C(N)=O	778411528	GFOFRPWJHNMKSR-UHFFFAOYSA-N	307.276	1.312	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1ccc(C#N)c(F)c1	776778918	YAHOWYGNTSZVQZ-LLVKDONJSA-N	307.325	1.589	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNc1ccnc(Br)c1	771551152	ABQKJMMOAIEJEZ-IONNQARKSA-N	300.156	1.712	50	20	DDGD	
COc1cccc(CNC(=O)NNC(=O)C2CCOCC2)c1C	883732537	RDDAVQNRNFSQRN-UHFFFAOYSA-N	321.377	1.261	50	20	DDGD	
CC(=O)Nc1cccc(NC(=O)NNc2ncc(F)cn2)c1	775458421	MTDQEAVVWLIAOL-UHFFFAOYSA-N	304.285	1.723	50	20	DDGD	
CCCCC[C@H]1CCCN1C(=O)NNC(=O)c1cccnn1	883851116	LLOLBTRRELGRBU-LBPRGKRZSA-N	305.382	1.876	50	20	DDGD	
Cc1cccc(OCCNC(=O)NNC(=O)C2CCOCC2)c1	883074421	XHKBWYATJHYLGL-UHFFFAOYSA-N	321.377	1.131	50	20	DDGD	
COc1cc(NNC(=O)NCc2nc(C)no2)ccc1Cl	788970054	KVUIEYVXDVLNKX-UHFFFAOYSA-N	311.729	1.866	50	20	DDGD	
CCOc1ccc(NNC(=O)N=c2nc(C)[nH]n2CC)cc1	888541206	OMAGVVOWBOVHLN-UHFFFAOYSA-N	304.354	1.576	50	20	DDGD	
CC(C)(CO)[C@@H](NS(=O)(=O)CCCCl)c1cccnc1	882221623	NWUFESWHGSVRRT-LBPRGKRZSA-N	320.842	1.690	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cncc(Br)c1	782595926	YFBHMVVSVOXLDF-UHFFFAOYSA-N	301.144	1.653	50	20	DDGD	
CCOCC(=O)NN=Cc1cccn1Cc1ccccc1C#N	780224170	AREICMCULUILQL-UHFFFAOYSA-N	310.357	1.895	50	20	DDGD	
C[C@@H](CBr)CN1CCN(CC(C)(C)O)C[C@H]1C	781941886	VVILSPJQXBSNEY-NWDGAFQWSA-N	307.276	1.794	50	20	DDGD	
CSC1(C(=O)NNc2ccccc2S(C)(=O)=O)CCC1	787442440	YGTMIRYAGYYMAQ-UHFFFAOYSA-N	314.432	1.819	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCc1ccc(OC)c(F)c1	887140907	XPHJLOFLPZJRKU-UHFFFAOYSA-N	306.337	1.718	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)Nc2nc(C)c(C)s2)o1	789740423	WNLPLCSHSFCCJX-UHFFFAOYSA-N	322.346	1.061	50	20	DDGD	
N#Cc1cccc(NNC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)c1	780888121	TYICFPDHMSLPID-LBPRGKRZSA-N	313.361	1.195	50	20	DDGD	
C[C@@H](c1ccccc1)[C@H](CO)NS(=O)(=O)CBr	782465045	VCDKUPNTFBLDPR-ONGXEEELSA-N	322.224	1.423	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H]2CCN(CC3CC3)C2)nc1	780991896	SKVNFBWEKXUXHG-LBPRGKRZSA-N	305.382	1.201	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNc2ccc(OC)cn2)n1	781517373	YTRMAGABAKAQCY-UHFFFAOYSA-N	302.290	1.029	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCN2C(C)C)c(O)c1	892928349	YSBGUQXDCHUSNI-ZDUSSCGKSA-N	305.378	1.334	50	20	DDGD	
CC(=NNC(=O)COc1cc(C)cc(C)c1)c1ccc(O)nn1	790143663	RSGQAPUXTQZLTK-UHFFFAOYSA-N	314.345	1.718	50	20	DDGD	
COCC[C@@H]1CCCC1=NNC(=O)[C@@H](C)CN1CCOCC1	799873001	ILIBKSGENCZSDE-KBPBESRZSA-N	311.426	1.264	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCC2(C#N)CC2)c2ccccc2n1	797581477	UXJMTKWSRCUECU-UHFFFAOYSA-N	323.356	1.791	50	20	DDGD	
CC(C)[C@@H]1CCCC(=NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1	794487910	FVWCFHRQVMVDMM-VXGBXAGGSA-N	300.424	1.740	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2cnc(C3CC3)nc2)n1	797622934	AZAMCETZSCNKBQ-UHFFFAOYSA-N	312.333	1.524	50	20	DDGD	
Cc1c(CC(=O)NNc2cccc(F)c2[N+](=O)[O-])cnn1C	794456394	DUFCBQJEPJXSEQ-UHFFFAOYSA-N	307.285	1.462	50	20	DDGD	
Cn1c(Cl)cnc1C=NNC(=O)COc1ccc(C#N)cc1	799468729	NIQAPUZMCGQGIS-UHFFFAOYSA-N	317.736	1.474	50	20	DDGD	
N#CC1(CNC(=O)NNC(=O)c2cccc(OC(F)F)c2)CC1	797580812	FPBZOMHIEDRPHU-UHFFFAOYSA-N	324.287	1.536	50	20	DDGD	
C=C(CBr)CN[C@]1(CC(=O)OC)CCCOC1	791494832	ZEXJEAPDGJDXEA-LBPRGKRZSA-N	306.200	1.639	50	20	DDGD	
CCc1ncc(NC(=O)NNC(=O)c2cccc(C)n2)cn1	797636792	MTVWLKWQLLGFAT-UHFFFAOYSA-N	300.322	1.209	50	20	DDGD	
C[C@@H](Oc1ccc(C=O)cc1)C(=O)NNC(=O)c1ccncc1	794714541	IQWJQGYNHOEHDC-LLVKDONJSA-N	313.313	1.123	50	20	DDGD	
Cc1nn(-c2ccccn2)c(Cl)c1C=NNC(=O)CN(C)C	794901568	GAOSWLPIKFMWMX-UHFFFAOYSA-N	320.784	1.241	50	20	DDGD	
O=C(CCl)N(CCCN1CCOCC1)Cc1ccncc1	1319683105	VTZYYYKVGIACOL-UHFFFAOYSA-N	311.813	1.371	50	20	DDGD	
COC(=O)c1cc(CNC(=O)NNC(=O)C(C)(C)C)oc1C	1317916270	NEUFHLDSGUVARV-UHFFFAOYSA-N	311.338	1.251	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccc(Cl)nc2)ccn1	1317891635	CVNQBSMCZJEUFZ-UHFFFAOYSA-N	306.709	1.213	50	20	DDGD	
CC1CCN(C(=O)C(=O)NNc2ccc(C(C)(C)C)nn2)CC1	1322756526	LLZFANYFUFGNDZ-UHFFFAOYSA-N	319.409	1.476	50	20	DDGD	
Cc1cnn(CC2CC2)c1NC(=O)NNC(=O)CC(F)(F)F	1320122626	LDZUDRMCAHXUFE-UHFFFAOYSA-N	319.287	1.707	50	20	DDGD	
Cc1ncnc(O)c1CCC(=O)NN=c1cc[nH]c2ccccc12	1328638898	HPQBASVOQUFVKC-UHFFFAOYSA-N	323.356	1.537	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccc(F)cc2)cc(O)n1	1320108431	YDKYPUBWSAFBKH-UHFFFAOYSA-N	319.292	1.075	50	20	DDGD	
C=CCN(CC=C)C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1328614593	NFRLVIRMWQPOBC-GWCFXTLKSA-N	315.211	1.477	50	20	DDGD	
CC(C)n1cc2c(n1)[C@@H](NCc1ccccc1B(O)O)CCC2	1349621178	PLPPSVMOYWTOOX-INIZCTEOSA-N	313.210	1.311	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1ccc[n+]([O-])c1	1344740002	KBXASYBIEBMSNA-UHFFFAOYSA-N	305.265	1.003	50	20	DDGD	
COc1ccc2cc(C(=O)NNC(=O)C(C)(C)O)ccc2c1	1343816104	OJORUTXGCWQLSH-UHFFFAOYSA-N	302.330	1.380	50	20	DDGD	
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NNc1ccncn1	1347881639	BUBKODQJGDJEEY-OAHLLOKOSA-N	311.345	1.895	50	20	DDGD	
CCn1nc(C(C)C)cc1C(=O)NNC(=O)N=c1cc[nH]cc1	1344704259	AFGGTCZZOPMNBJ-UHFFFAOYSA-N	316.365	1.310	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc(-c2cn[nH]c2)cc1	1521638732	LRKZUEWZCNJQTJ-CQSZACIVSA-N	314.345	1.407	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)O)CCCCC1)[C@H]1CCCS1	1605814669	NGKGVFCCPCKCSQ-SECBINFHSA-N	300.380	1.065	50	20	DDGD	
O=C(O)CSCCC(=O)NNC(=O)c1cc2ccccc2o1	1608766814	JCCOTKKSELLCSH-UHFFFAOYSA-N	322.342	1.402	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNc2cccc(C(=O)O)c2F)n1	1607630041	QRCOXZAUKFUVOI-UHFFFAOYSA-N	306.297	1.481	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1ccc(-n2cncn2)cc1	1601561198	UTVRGIPBKUNLIX-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
Cn1c(C(=O)NNc2ccc(C(=O)O)cc2F)cnc1Cl	1608078613	AVKCAZJDUTYBTD-UHFFFAOYSA-N	312.688	1.668	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C(=O)O)c1ccc(Cl)cc1Cl	1607455844	VYNYKOHIXUGAHE-YFKPBYRVSA-N	320.132	1.469	50	20	DDGD	
C=CCCC[C@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)O	1602863358	NTJAITSSDIHCQR-WHGQRRHOSA-N	302.334	1.253	50	20	DDGD	
CN(C)N(C(=O)C1(CCF)CC1)c1nc(CC(=O)O)cs1	1606037322	PTVRFAOABQILGF-UHFFFAOYSA-N	315.370	1.720	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)C2SCCS2)cc1F	1602385082	QLLXKSUPUKIVQG-UHFFFAOYSA-N	302.352	1.773	50	20	DDGD	
O=C(COc1cc(F)cc(F)c1)NNc1ccc(C(=O)O)cn1	1601341212	AFXYWHCUJIPDEM-UHFFFAOYSA-N	323.255	1.580	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)N[C@H]1C[C@H]2C[C@H](C(=O)O)C[C@@H]12	1608481843	SLAGCJPBIJTYIM-MKHNBGRSSA-N	324.768	1.860	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1ccncc1	1549313725	HSJOPWYJYOCHMH-DZGCQCFKSA-N	302.378	1.175	50	20	DDGD	
O=C(NN=CCc1cccc(Cl)c1)[C@H]1CN2CCC[C@@H]2CO1	1549320052	KGUUEOUYPCWWMK-HUUCEWRRSA-N	321.808	1.848	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCO[C@@H]1c1ccnn1C)c1ncc[nH]1	1550696561	KYJRRSHEIJRUGH-AAEUAGOBSA-N	316.365	1.151	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@@H]1C=NNC(=O)c1cnsn1	1552919400	IQGBFXGCBFFIPB-KOLCDFICSA-N	320.378	1.248	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2c(N)cnn2C)c1	1579672621	KPMJEFCLFMVZHP-UHFFFAOYSA-N	318.406	1.251	50	20	DDGD	
CNNC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2	1578744543	IVIVYLDNAQAVDK-UHFFFAOYSA-N	305.359	1.946	50	20	DDGD	
O=C(NNc1ccc(Cl)c(Br)c1)[C@H]1CCN1	1580736969	FMWWXIKSSDOHOO-SECBINFHSA-N	304.575	1.908	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)Nc1cccc([N+](=O)[O-])c1	1594781810	IQCJVPTVZHEAKH-UHFFFAOYSA-N	317.261	1.837	50	20	DDGD	
C[C@]1(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)O)C2)C[C@@H]1Br	1593749800	SDBZSNALSZPQMT-VDUILEQBSA-N	316.195	1.873	50	20	DDGD	
CC1=C(C(=O)NNc2ccc(CC(=O)O)cc2)SCCO1	1594093633	IABMLXDNFYBTGZ-UHFFFAOYSA-N	308.359	1.752	50	20	DDGD	
CC1(C)C[C@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCO1	1590078495	LPQMLTDJOFLXPQ-LLVKDONJSA-N	316.365	1.515	50	20	DDGD	
COc1ccc(NNC(=O)c2cccc(-c3nn[nH]n3)c2C)cc1	1591617199	BHTYDGFDOUVLLH-UHFFFAOYSA-N	324.344	1.941	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cncc(C(=O)O)c1	1592039819	OZAGMTHSNGRZNM-UHFFFAOYSA-N	301.306	1.450	50	20	DDGD	
CC[C@@](C)(CO)C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1590381422	KLUMSACJTQZRGO-ZDUSSCGKSA-N	324.772	1.372	50	20	DDGD	
CCCCC(=O)NN=Cc1ccc(OC)cc1OCC(=O)O	1776036011	VSTPPGFRIIVZCL-UHFFFAOYSA-N	308.334	1.799	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1ccc(/C=C/C(=O)O)cc1	1777033792	SEJAGCUHQBDZOH-NJHPPEEMSA-N	306.343	1.540	50	20	DDGD	
CN(C)C(=O)NN=Cc1cccc(Br)c1C(=O)O	1776039902	UFPVZWOVZVHLBY-UHFFFAOYSA-N	314.139	1.752	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1cccc(-n2cccc2)c1	17329176	RZOXWXSGKLOHJV-UHFFFAOYSA-N	306.325	1.947	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(C)CCOc1ccc(OC)cc1	158624298	VVKQBUCNOGQRBD-SEYXRHQNSA-N	304.346	1.976	50	20	DDGD	
CCc1nn(C)c(CC)c1CNC(=O)NNC(=O)c1ccc[nH]1	163628514	DVGZPZPFZKDKLU-UHFFFAOYSA-N	318.381	1.017	50	20	DDGD	
C=CCOc1ccccc1C(=O)NNC(=O)c1cc(C)n[nH]1	151191876	BNYYUCZYYNHKQH-UHFFFAOYSA-N	300.318	1.358	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2scnc2C(C)(C)C)[nH]n1	151197749	YDTFLJCFZFHZHG-UHFFFAOYSA-N	307.379	1.547	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)c2ccc(C#N)cc2)CCCS1	152919119	GIWCEMOVGWQMBL-OAHLLOKOSA-N	318.402	1.788	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2c(F)cccc2Cl)[nH]n1	153006560	HNJGFCWDDCVJHO-UHFFFAOYSA-N	310.716	1.514	50	20	DDGD	
CC[C@@H]1CCC[C@H](NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)C1	155955438	JLWASNSWVAKJCR-MBNYWOFBSA-N	317.455	1.336	50	20	DDGD	
COC(=O)c1cccc(CNS(=O)(=O)CCCCCl)c1	154666145	HKGQKXICAKJSDR-UHFFFAOYSA-N	319.810	1.912	50	20	DDGD	
O=C1CCC(=O)N1[C@@H](O)[C@@H](Cl)Cc1ccc2ncccc2c1	116144464	FUPWOFWDARMISK-LRDDRELGSA-N	318.760	1.852	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)NCC2CC2)c(F)c1	105387851	CRQRKCPTUBGSFS-UHFFFAOYSA-N	301.343	1.037	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)s1	21875044	WHZMMLZQOINZIH-UHFFFAOYSA-N	304.327	1.860	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1ccc2c(c1)nnn2C	105508135	CVVZSRVQKUHPNX-UHFFFAOYSA-N	324.344	1.743	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CN(C)C(C)C)c(C)c1	110891079	ZFZFXKYWBZLUCH-UHFFFAOYSA-N	306.410	1.203	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1oc(C)nc1C	175186388	CCLLQTQMIOFOIS-UHFFFAOYSA-N	318.333	1.173	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2c(C)nc3ccccn23)cn1	29932493	KBEAZVCXTGQGTA-UHFFFAOYSA-N	309.329	1.421	50	20	DDGD	
C[S@](=O)c1ccc(CNC(=O)NNc2cccnn2)cc1	175702480	HQGNDZXYBZRBNE-NRFANRHFSA-N	305.363	1.040	50	20	DDGD	
Cc1ccnc(NNC(=O)c2cn(Cc3cccs3)nn2)c1	176773656	NXQWAMHPSBHJTG-UHFFFAOYSA-N	314.374	1.848	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1	171352846	GEMRJHBUUKQHIU-UHFFFAOYSA-N	321.377	1.877	50	20	DDGD	
Cc1ccc(C2(C(=O)NNC(=O)NC(C)C)CCOCC2)cc1	110670122	KVHOAZNOIREHRS-UHFFFAOYSA-N	319.405	1.782	50	20	DDGD	
O=C(NNS(=O)(=O)c1cccc2cccnc12)c1ccc[nH]1	172197343	QLLMFLRTJOQFDF-UHFFFAOYSA-N	316.342	1.186	50	20	DDGD	
O=C(CSC[C@H]1CCCCO1)NNc1nccnc1Cl	114893818	BWNKWTMGEWZHBU-SECBINFHSA-N	316.814	1.875	50	20	DDGD	
O=C(NCCC1CC1)NNC(=O)c1cc(Br)c[nH]1	174595980	SCFGEPLIGRRCMU-UHFFFAOYSA-N	315.171	1.521	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2ccccc2[N+](=O)[O-])c1	172924334	RXJOBSRESRMTBS-UHFFFAOYSA-N	314.301	1.711	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2csc([N+](=O)[O-])c2)n1	174495021	SDJCREGFXACLGS-UHFFFAOYSA-N	309.307	1.520	50	20	DDGD	
CC[C@@H]1CN(CCI)C[C@H](C)[S@@]1=O	306299236	YENXDEHIWQCFOC-RWEMILLDSA-N	315.220	1.653	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@H](C)CCN(C)C	68593874	CVZINQNQKUEVLO-GFCCVEGCSA-N	307.398	1.671	50	20	DDGD	
CC[C@@H](C(=O)NNC(C)=O)n1nnc(-c2ccc(Cl)cc2)n1	173292088	JJPHCOVLIQYVRX-NSHDSACASA-N	322.756	1.112	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2cccnc2)cc1	122772920	RMZDKLGGPFKKTF-UHFFFAOYSA-N	300.318	1.622	50	20	DDGD	
O=C(CN1CCC2(CCC2)C1)NNC(=O)c1cccc(Cl)c1	123195237	BRNDTTMFWSABQX-UHFFFAOYSA-N	321.808	1.977	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)c1	75816313	PRBOPHFPVCIVGH-AWEZNQCLSA-N	324.384	1.882	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C[C@H]1COC(=O)C1)c1ccccc1	120471459	FLCOXKRKFRHXAH-DGCLKSJQSA-N	304.346	1.281	50	20	DDGD	
Cn1cnc2cc(C(=O)NNC(=O)c3ccc(C#N)cc3)ccc21	125982209	MIAIQXOPOFZLMS-UHFFFAOYSA-N	319.324	1.520	50	20	DDGD	
CCOCC(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1	125060078	FNRWRCKHRGQDEJ-LBPRGKRZSA-N	316.357	1.791	50	20	DDGD	
COc1ccccc1C(=O)NNc1nc2ccccc2c(=O)n1C	70919578	NBSFIRCJLJAWFZ-UHFFFAOYSA-N	324.340	1.699	50	20	DDGD	
Cc1cccc(OC[C@H](C)NC(=O)NNc2cccnn2)c1	77349208	YPUNMJNEMLKZOG-LBPRGKRZSA-N	301.350	1.879	50	20	DDGD	
CSC[C@H](C)NC(=O)NNc1ccc(-n2cccn2)nn1	77626859	VUZLNBSFTUWRRT-VIFPVBQESA-N	307.383	1.040	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)o1	123261633	QOGJUMQLHMROCO-DRZSPHRISA-N	319.361	1.490	50	20	DDGD	
COc1ccc(Cl)cc1CC(=O)NNc1ncc(F)cn1	122796016	UQPDJYISVYPBTN-UHFFFAOYSA-N	310.716	1.964	50	20	DDGD	
O=C(NNC(=O)c1ccncc1Br)c1ccccc1	121861815	OHWDOYDBNFOEDZ-UHFFFAOYSA-N	320.146	1.919	50	20	DDGD	
O=C(/C=C/c1cccnc1)NNC(=O)c1cccc([N+](=O)[O-])c1	43078182	PYXWNDYMOCQWKX-VOTSOKGWSA-N	312.285	1.464	50	20	DDGD	
COCc1cccc(CC(=O)NNC(=O)NCC(F)(F)F)c1	189033549	QHQKVIGQQHAUCY-UHFFFAOYSA-N	319.283	1.268	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccccc1-n1cccn1	131869870	AIAQOOADFJYRNX-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc2cc(F)ccc2[nH]1	132056454	FTNWZBOPJBNUQE-UHFFFAOYSA-N	301.281	1.863	50	20	DDGD	
CNS(=O)(=O)c1cc(C(=O)NNc2cccc(C)c2)c(C)o1	81729168	IWOFBEYXUGWBRM-UHFFFAOYSA-N	323.374	1.561	50	20	DDGD	
CNc1cc(C(=O)NNc2nccnc2OC)cc(Cl)n1	131717578	WNIMCUCHYUNROU-UHFFFAOYSA-N	308.729	1.332	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@H](C)CN2CCCCC2)o1	84433175	MLHUGJSGAAESMO-GFCCVEGCSA-N	322.409	1.654	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc2c(C)nn(C)c2s1	132120533	LTSMDBODBJVMPK-UHFFFAOYSA-N	318.362	1.499	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cnn(C(C)C)c2)n1	190565782	IZSDXGFFLOERED-UHFFFAOYSA-N	317.397	1.857	50	20	DDGD	
O=C(NCc1ccc(-n2cccn2)cc1)NNc1ncccn1	46900810	RWKQDWGTXFQCNV-UHFFFAOYSA-N	309.333	1.489	50	20	DDGD	
Cc1cccc(C)c1OCC(=O)NNc1nc2ccccn2n1	191882385	XORYADYOVRXIJY-UHFFFAOYSA-N	311.345	1.868	50	20	DDGD	
COC[C@H]1CN(C(=O)/C(C#N)=C\c2ccc(O)cc2)CCO1	194687511	NACOQKRRQBMQAR-JEMSNHSXSA-N	302.330	1.173	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNC(=O)c2ccc(C)o2)c1	84284787	FASUNQYTEPECNC-UHFFFAOYSA-N	302.286	1.449	50	20	DDGD	
C[C@@H](Cc1ccccc1F)NC(=O)NNC(=O)c1ccc[nH]1	97215593	ZROXCRIMAOQAPW-JTQLQIEISA-N	304.325	1.729	50	20	DDGD	
CCCCCOCC(=O)NNC(=O)CNc1cccc(OC)c1	264048202	XMMQICGTHKPFFX-UHFFFAOYSA-N	323.393	1.461	50	20	DDGD	
CC[C@H](COC)NC(=O)NNC(=O)COc1cc(C)cc(C)c1	265878436	ZXKVPRMHPJJYIM-CYBMUJFWSA-N	323.393	1.438	50	20	DDGD	
CS[C@H](C(=O)NNC(=O)N1CCOCC1)c1ccccc1	265799599	NGLUGRHXFXYPIP-LBPRGKRZSA-N	309.391	1.164	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@H](CCO)CC(C)C)n1	267996357	LRUAICIHKOIOBR-LLVKDONJSA-N	311.386	1.156	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H](C)NC(=O)C(C)(C)C	264518116	DKAHOVSMCKPQGK-SNVBAGLBSA-N	321.377	1.007	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCc1nnc2n1CCOC2	365085838	RJDWVUUVIXZRCW-UHFFFAOYSA-N	320.328	1.082	50	20	DDGD	
CC[C@H](NS(=O)(=O)c1ccc(CCCCl)cc1)C(=O)O	274991114	ZBYKZPPJFIUMOB-LBPRGKRZSA-N	319.810	2.000	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCC[C@H]1CCCCO1	272440578	QVWRURWAJRCNKM-CYBMUJFWSA-N	305.378	1.898	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)CC[C@@H]2CCCO2)nc1C	272219917	TUMBGTGUGDXRSB-NSHDSACASA-N	322.365	1.364	50	20	DDGD	
CCOC(=O)c1ccc(S(=O)(=O)N2CC=C(C#N)CC2)cc1	272847136	SEBIQICGFJPFEX-UHFFFAOYSA-N	320.370	1.708	50	20	DDGD	
CCCNC(=O)c1cccc(NC(=O)NNC(=O)CC2CC2)c1	273325392	LVFDDCDRAWXOOY-UHFFFAOYSA-N	318.377	1.779	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cnn(CC(C)C)c2)[nH]n1	273476557	KVUPJQJLTNHYCX-UHFFFAOYSA-N	305.342	1.037	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(Cl)c2)CCO1	271254759	JRGHEXOEIIMDQT-JOYOIKCWSA-N	311.769	1.852	50	20	DDGD	
CSc1ccc(O[C@@H](C)C(=O)NNC(=O)C(C)(C)O)cc1	276332360	YLYSXIBFKLADRB-VIFPVBQESA-N	312.391	1.094	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H]2CCC(=O)[C@H](C)C2(C)C)n1	275674298	QAYMJRJZNRSPNH-VHSXEESVSA-N	306.366	1.570	50	20	DDGD	
Cc1ccccc1[C@H](O)CNS(=O)(=O)CBr	272816020	NZTWPNWRRHYDHD-SNVBAGLBSA-N	308.197	1.300	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1F	274236075	WDVSGGBYHMJEFI-UHFFFAOYSA-N	311.313	1.954	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1ccsc1Cl	275859860	ONGSFGDZPRMKKR-UHFFFAOYSA-N	303.771	1.534	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@@H]2CCO[C@@H](C)C2)c1	271875756	PMEGLXRRKGCFJR-NWDGAFQWSA-N	321.377	1.070	50	20	DDGD	
C=CCC1(C(=O)NNC(=O)Cn2cnc3ccccc32)CCC1	276727592	TZSCSWYYNOADLV-UHFFFAOYSA-N	312.373	1.930	50	20	DDGD	
O=S(=O)(CBr)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21	272779651	HEECNSLVGBTUMR-OUAUKWLOSA-N	302.193	1.597	50	20	DDGD	
CCC(CC)CNC(=O)NNc1ccc(-n2ccnc2)nn1	287380151	NKXAIUMYWRVCSO-UHFFFAOYSA-N	303.370	1.725	50	20	DDGD	
N#Cc1ccc(NC(=O)NNC(=O)C2CC2)cc1Br	287301322	STXHNGIFOGLVAW-UHFFFAOYSA-N	323.150	1.883	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCCOC2CCCC2)n1	280398733	XJSDVZAUHGHRPF-UHFFFAOYSA-N	320.393	1.683	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(C)cc1F	288121767	YMUFNZQDWYSDBS-UHFFFAOYSA-N	312.341	1.684	50	20	DDGD	
CCc1n[nH]c(=O)c(C(=O)NCCSSC)c1CC	285553051	BHIILXKETSUUDR-UHFFFAOYSA-N	301.437	1.636	50	20	DDGD	
COc1cccc2c(C(=O)NNC(=O)OC(C)(C)C)n[nH]c12	289899946	KIXNXKFISYGSLV-UHFFFAOYSA-N	306.322	1.741	50	20	DDGD	
CSSCCNC(=O)Nc1cccc(OCC(N)=O)c1	284752477	XRMHLYXSVUIBJS-UHFFFAOYSA-N	315.420	1.683	50	20	DDGD	
COC(=O)Cc1occ(C)c1C(=O)NNC(=O)c1ccccc1	809954113	VNLJVRVJEDPOGV-UHFFFAOYSA-N	316.313	1.378	50	20	DDGD	
O=C(CSc1nnc(S)s1)NNc1cccc(F)n1	804768222	SXKDZQXVQZEBET-UHFFFAOYSA-N	317.396	1.596	50	20	DDGD	
C[C@H]1CCCN(c2cc(C(=O)NNC(=O)N(C)C)ccn2)C1	291470405	JCYLGMFERDQLBX-NSHDSACASA-N	305.382	1.234	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNc1cc(C#N)cc(Cl)n1	809742957	OKLPQLLGRXATLQ-QMMMGPOBSA-N	310.741	1.639	50	20	DDGD	
O=C(COCc1ccccn1)NNC(=O)c1ccccc1F	805152924	RKPRPKCHWCCWIA-UHFFFAOYSA-N	303.293	1.199	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2nc(Cl)ccc2Cl)O1	294293697	QKJLUGLOEAOYHC-XPUUQOCRSA-N	318.160	1.717	50	20	DDGD	
CCC(CC)(CNC(=O)NNc1nc2ccccn2n1)OC	293906071	ZVICBHJBAQIYIT-UHFFFAOYSA-N	306.370	1.561	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)Nc1ccc(Br)cc1	801994680	XMSPWSPLSOAVNK-UHFFFAOYSA-N	324.138	1.639	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)c1ccc(C2CCCC2)cc1	290598768	VBIBVNWYFFHZBP-UHFFFAOYSA-N	317.389	1.630	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2cc(F)ccc2Cl)CC1	295311538	FZQDVVXPGXINGK-UHFFFAOYSA-N	314.748	1.081	50	20	DDGD	
Cn1nncc1NC(=O)NNc1ccc(C(F)(F)F)cn1	809902151	SNHKICBXRCXYCN-UHFFFAOYSA-N	301.232	1.378	50	20	DDGD	
CSC1(C=NNC(=O)COc2ccccc2[N+](=O)[O-])CC1	800807543	WUQQODHYLSOHQE-UHFFFAOYSA-N	309.347	1.971	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncccc1F)c1nnc2ccccn12	804896903	BIOJBAVHOIDNSE-SECBINFHSA-N	315.312	1.651	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2nnc(C(C)(C)C)s2)O1	293944143	PMLYZZCVFFHUDZ-YUMQZZPRSA-N	312.395	1.164	50	20	DDGD	
COCc1ncc(C(=O)NNC(=O)CNc2ccccc2)s1	806354899	JBJBOJNOPXMIQE-UHFFFAOYSA-N	320.374	1.163	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1c(C)noc1C	298116249	RWIBCDWRNOZQPZ-UHFFFAOYSA-N	319.317	1.140	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)c1cnc2[nH]c(O)nc2c1	809750238	RFQKFLKXDPCJSU-UHFFFAOYSA-N	320.312	1.969	50	20	DDGD	
C=CCOc1ccc(C(=O)NNC(=O)CC2CC2)cc1OC	294127792	KWBYIRWDJNNICT-UHFFFAOYSA-N	304.346	1.821	50	20	DDGD	
O=C(C[C@H]1Oc2ccccc2NC1=O)NNc1ncccc1F	804217864	JRQDDBLUZKRFIJ-GFCCVEGCSA-N	316.292	1.454	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@]12CCc1ccccc12)c1ccnnc1	817693541	NELQEJKKERSFKQ-WMLDXEAASA-N	308.341	1.142	50	20	DDGD	
O=C(C[C@H]1COC(=O)C1)NNc1cc(Cl)nc(Cl)c1	819747071	JYDRTNIVYAFQJW-ZCFIWIBFSA-N	304.133	1.785	50	20	DDGD	
CCc1nn(C)c(OC)c1C=NNC(=O)c1ccc(O)c(O)c1	814920703	UDLBUOPZMYBDKX-UHFFFAOYSA-N	318.333	1.166	50	20	DDGD	
COC(=O)Cc1occc1C(=O)NNc1ccc([N+](=O)[O-])cc1	810573735	BUNYMUXTHGHOTJ-UHFFFAOYSA-N	319.273	1.660	50	20	DDGD	
O=C1CC(C(=O)NNC(=O)NC2CC2)(c2cccc(Cl)c2)C1	813423451	DWBTZMSSFIXTOZ-UHFFFAOYSA-N	321.764	1.434	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1ccc(-n2cncn2)cc1	818287259	JSUYRTNSQQUEDD-UHFFFAOYSA-N	307.317	1.211	50	20	DDGD	
CCN(C(C)=O)c1nc(C=NNC(=O)c2cnccn2)cs1	818287655	PJLHQQKMWKFIQV-UHFFFAOYSA-N	318.362	1.070	50	20	DDGD	
C[C@@H](CBr)COC(=O)[C@@H]1CCc2nnn(C)c2C1	811345155	ODAUCWCZUSWUFD-DTWKUNHWSA-N	316.199	1.494	50	20	DDGD	
CN1CCN(c2ccc(C=NNC(=O)CC3CC3)cc2)CC1	814987919	JRHRDRCUOSKNFE-UHFFFAOYSA-N	300.406	1.689	50	20	DDGD	
O=C(NCCc1cccc([N+](=O)[O-])c1)NNc1ncncc1F	814314598	GPZOGJFKKKZVOM-UHFFFAOYSA-N	320.284	1.393	50	20	DDGD	
CCC[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccc(OC)c(OC)c1	812447325	QFNDBVJAPVMLTC-ZYHUDNBSSA-N	306.362	1.901	50	20	DDGD	
O=C(CCc1ccccc1O)NN=Cc1ccc(O)cc1O	729934800	BLTVTKPZWWOQGR-UHFFFAOYSA-N	300.314	1.886	50	20	DDGD	
Cn1cnnc1CCCNC(=O)[C@H](Br)C(C)(C)C	820163100	BYCHUXLHDDRSDD-JTQLQIEISA-N	317.231	1.674	50	20	DDGD	
CC(C)C1(C)CCN(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CC1	827284689	XSMHRZFWHLBORV-QWHCGFSZSA-N	311.426	1.910	50	20	DDGD	
CCC[C@@H](CC(C)C)C(=O)NNC(=O)CNC(=O)c1ccco1	825581555	KJHKFFNZJSFJQL-LBPRGKRZSA-N	323.393	1.619	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)N=c2cc[nH]cc2)cc1	726872130	WYWWVASAHLEZNJ-UHFFFAOYSA-N	317.374	1.535	50	20	DDGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccn(C)n2)cc1	490937001	BWBNXHMEKATGQP-JLHYYAGUSA-N	323.356	1.668	50	20	DDGD	
C[C@@H]1C[C@@H]1C=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	820667924	OVQGRTRDGCSPKA-MWLCHTKSSA-N	300.322	1.004	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(CN(CC)C(C)C)cc1	823856325	PODDJZJMNGQMCP-UHFFFAOYSA-N	307.438	1.876	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1ccc(C#N)c(Cl)c1	496705013	ZQYDARYEKFDKBW-UHFFFAOYSA-N	303.727	1.103	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2CCCN2C(C)C)ccc1F	821880614	OPIWLGPECVEZCD-AWEZNQCLSA-N	323.368	1.928	50	20	DDGD	
CC[C@@H](C)C(=O)NN=Cc1c[nH]c2ccc(-c3nn[nH]n3)cc12	820864220	XMGUBTCYNAYNSE-SECBINFHSA-N	311.349	1.844	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC[C@]12CCOC2=O	490968401	BTZPECISNKSJAH-OJNOIJSXSA-N	312.325	1.607	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCCO2)NOCC1CCC1	824027140	FXVSNOGNDSEJLV-UHFFFAOYSA-N	321.333	1.134	50	20	DDGD	
Cc1c(NNC(=O)NCC2CCOCC2)cccc1[N+](=O)[O-]	728131954	IARVCSTYMCNGJW-UHFFFAOYSA-N	308.338	1.956	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccc(OCC(N)=O)cc1	495779037	CJRNAQPFTQARLU-UHFFFAOYSA-N	324.337	1.112	50	20	DDGD	
Cc1csc(CC(=O)NN=C2C(=O)N(C)c3ccccc32)n1	725856727	VKCDPRRZRIAQBW-UHFFFAOYSA-N	314.370	1.491	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)NNc1cc(F)c(F)cc1F	907094173	DPGHVBFKFVXGTE-LLVKDONJSA-N	301.268	1.558	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1cc(F)c(F)c(F)c1	901966601	OZBLHLWRDQLTFF-UHFFFAOYSA-N	320.292	1.217	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2ccccc2-c2nn[nH]n2)c(O)c1	826281961	RBJGPWLJOAJSHY-UHFFFAOYSA-N	322.328	1.645	50	20	DDGD	
CC(C)(F)CCNC(=O)NNc1ccc(-n2cccn2)nn1	822101079	JFYYXCFELXVRQO-UHFFFAOYSA-N	307.333	1.427	50	20	DDGD	
O=C(NN=Cc1cc(-c2nn[nH]n2)cs1)c1ccccc1O	823273666	TUGHIQOHLBMZHY-UHFFFAOYSA-N	314.330	1.398	50	20	DDGD	
C[C@@H]1CCN(C(=O)[C@]2(C)C[C@H]2Br)CC[S@@]1=O	907742602	NEBFBEMGJSBUEH-IFTYCBKQSA-N	308.241	1.529	50	20	DDGD	
CNC(=O)CC1CCN(C(=O)[C@]2(C)C[C@H]2Br)CC1	906877161	BHGUZXBKNNQRMJ-ZWNOBZJWSA-N	317.227	1.535	50	20	DDGD	
Cc1ccc(Br)nc1C(=O)NN(C)[C@@H](C)CO	823936026	YLIVNBXXGZABLV-QMMMGPOBSA-N	302.172	1.110	50	20	DDGD	
CCCNC(=O)NN=Cc1csc(N(C(C)=O)C2CC2)n1	734296469	SVDFZVJJZQBWKW-UHFFFAOYSA-N	309.395	1.702	50	20	DDGD	
Cc1cc(NNC(=O)c2nc(C)n(-c3ccccc3)n2)ncn1	734254405	IBPPFHJNLMNXDZ-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
Cc1[nH]ccc1C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	494143219	VEIXATJRHZLMPQ-UHFFFAOYSA-N	324.381	1.389	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NN=C1CCCS(=O)(=O)C1	731923874	IEHUBJFGGSXDRU-UHFFFAOYSA-N	319.386	1.391	50	20	DDGD	
CCC(=NNC(=O)CCNC(=O)OC(C)(C)C)[C@H]1CCOC1	495276385	NFUPUOXQKPUOPO-NSHDSACASA-N	313.398	1.820	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@@H]1CCC[C@H]1OC	836607599	CAJPSLWITGAXGQ-TZMCWYRMSA-N	321.377	1.136	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)C[C@H]1OCCc2ccccc21	732198898	HWUKELHYNAILOC-IUODEOHRSA-N	319.405	1.178	50	20	DDGD	
CC(C)(CNC(=O)[C@@]1(C)C[C@@H]1Br)N1CCOCC1	905210663	RGQRUKHSJLKBOI-GWCFXTLKSA-N	319.243	1.387	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc2c(C)cccc2o1	909552426	BXPAVLHAKYCYBB-SNVBAGLBSA-N	318.329	1.844	50	20	DDGD	
CC(=NNC(=O)Cc1cccnc1)c1ccc(-c2nn[nH]n2)cc1	735449495	ZWTNGVLCPORUTA-UHFFFAOYSA-N	321.344	1.345	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)[C@@H]1CCCN(C(N)=O)C1	836934035	ZMMZWDBYVIZJBH-SNVBAGLBSA-N	310.785	1.882	50	20	DDGD	
CCCCNC(=O)NN=Cc1ccc(OC)c(-c2nn[nH]n2)c1	736461135	OSAJGNXFCGPLSX-UHFFFAOYSA-N	317.353	1.309	50	20	DDGD	
O=C(COC(=O)CC1=CCCCC1)NNC(=O)c1ccccc1	730334496	AHVPLLAYQZEHPV-UHFFFAOYSA-N	316.357	1.881	50	20	DDGD	
C[C@H](Sc1ccccc1C(=O)NN=c1cc[nH]cc1)C(=O)O	833545505	IXCIGLLKHAJPGU-JTQLQIEISA-N	317.370	1.826	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCCCO2)c(C)c1	833261482	OMFUNEVKDSBINJ-AWEZNQCLSA-N	306.362	1.399	50	20	DDGD	
Cc1ncc(/C=C\C(=O)NNC(=S)NCC2CCC2)s1	732838851	GLEOLXMPDREOLW-WAYWQWQTSA-N	310.448	1.760	50	20	DDGD	
O=C(CCc1cccc(OC(F)F)c1)N1CC[C@@H](B(O)O)C1	585065229	WCKDWMZCSKWRMZ-LLVKDONJSA-N	313.109	1.296	50	20	DDGD	
COC(=O)[C@]1(c2ccccc2)CCN(S(=O)(=O)CCl)C1	831606975	UKDUAKQIKKEQEN-CYBMUJFWSA-N	317.794	1.329	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C1(C(=O)NC)CCC1)c1ccccc1	732133156	RDKUYDQUXFDQJO-CYBMUJFWSA-N	317.389	1.244	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=C1CCCC12CCC2	834937235	KKIMLKQWFGHCNX-UHFFFAOYSA-N	306.391	1.840	50	20	DDGD	
O=S(=O)(CBr)N1CCC=C(c2cccnc2)C1	916759449	NQOJAPHVOPRQFA-UHFFFAOYSA-N	317.208	1.853	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)Cc1csc(-c2cccnc2)n1	910179348	LGSYQWBHUMUXFU-SNVBAGLBSA-N	306.391	1.091	50	20	DDGD	
C[C@H](C1CC1)N(C)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	839460092	CRVOTCWBBHQTPM-SNVBAGLBSA-N	320.349	1.086	50	20	DDGD	
CSc1nc(C)c(CCC(=O)NNc2cnccn2)c(O)n1	734243913	KAZSAHIGQUCNLC-UHFFFAOYSA-N	320.378	1.078	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCCC[C@@H]1C=NNC1=O	912469682	FMGPXUQHLMKZLJ-RKDXNWHRSA-N	318.215	1.424	50	20	DDGD	
CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)NCC1CC1	749357775	ZAVSWKRGMZGFHI-AWEZNQCLSA-N	305.378	1.893	50	20	DDGD	
CC(C)C(=O)NN=Cc1cnc2cnc(Br)cn12	746371327	VTHHZPWQWINDCR-UHFFFAOYSA-N	310.155	1.598	50	20	DDGD	
C[C@H](C(=O)NNC(=O)COc1ccc(C#N)cc1)C1CCCC1	749330944	YNHZZSASMOACLD-LBPRGKRZSA-N	315.373	1.911	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1ccc(OC2CCCC2)cc1	917716891	GMEIQIABACFXKP-UHFFFAOYSA-N	314.363	1.557	50	20	DDGD	
Cn1ccnc(NNC(=O)c2cccc(C(C)(C)C)c2)c1=O	848371739	VBKZOTCWYIVLPE-UHFFFAOYSA-N	300.362	1.835	50	20	DDGD	
COc1ccc2c(c1)[C@@H](C(=O)NNC(=O)NC1CC1)CCC2	847391622	CNOQVKVUZHUUHI-ZDUSSCGKSA-N	303.362	1.608	50	20	DDGD	
Cc1nnnn1-c1ccc(C(=O)NCC(Cl)Cl)cc1	846146996	UCJFEDIIQYRUJB-UHFFFAOYSA-N	300.149	1.504	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H]2CCN[C@H](C)C2)cc1	841985305	HBYVJKYIBKRDJF-BXUZGUMPSA-N	304.394	1.334	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)[C@H]2CCO[C@@H]2C)cc1OC	842556068	QGGIFOLEDHQFOP-YPMHNXCESA-N	306.362	1.969	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2nnc(-c3ccccn3)s2)C1	843863085	MCXWFRHNMAQRBT-QMMMGPOBSA-N	303.347	1.412	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1ccc(Cl)c(F)c1	845909453	CKRFEEMVVGNKKN-UHFFFAOYSA-N	309.750	1.334	50	20	DDGD	
COC[C@H](C)OC(=O)/C(C#N)=C\c1ccccc1OCC(=O)O	915843167	WOVWPJOBKZRRDE-HKMIMPICSA-N	319.313	1.635	50	20	DDGD	
O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)C1CCCC1	914842522	HVSFPSRGFLNROB-UHFFFAOYSA-N	307.306	1.311	50	20	DDGD	
COc1cc(C(=O)NN(C)C[C@H](C)O)ccc1OCC(C)C	910183050	NFKPYOVPTCLIDY-LBPRGKRZSA-N	310.394	1.687	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1NC(=O)NNc1ncc(Br)cn1	847383881	OSFDFQSRJOINAB-DTWKUNHWSA-N	314.187	1.910	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNc1cccc([N+](=O)[O-])c1)C(=O)O	848593092	XTWDDUYFPZBCPH-NSHDSACASA-N	310.310	1.578	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	843640473	NUOSSBZOEIOQMG-TZMCWYRMSA-N	306.362	1.336	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1cc(C(=O)O)c(C)nc1C	842561631	LNRGXCWTDCCEIZ-RYUDHWBXSA-N	319.361	1.662	50	20	DDGD	
NC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccc(Cl)cc1	841953685	RLBHRBSMSOZUII-DGCLKSJQSA-N	324.812	1.802	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cncc(C(F)(F)F)c1	843658765	VNFBTQJVEWYFAO-OIBJUYFYSA-N	317.267	1.286	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccc2c(c1)OCO2	843660117	KPSXQKMBWZHCST-UMNHJUIQSA-N	320.345	1.091	50	20	DDGD	
N#CC(C#N)=CNc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1	741650204	YLVTUZZICOSMHU-GFCCVEGCSA-N	317.374	1.463	50	20	DDGD	
CC(C)Nc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cn1	843970716	KDIHJOMDAQLFQH-CMPLNLGQSA-N	306.366	1.088	50	20	DDGD	
CC(=O)N[C@@H](C)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	917214306	KGVJVXOCODJHCA-LURJTMIESA-N	300.702	1.216	50	20	DDGD	
O=C(CC[C@H]1CCCO1)NNc1ncc(Br)cn1	848319953	HJPSJPQJRIGCDF-SECBINFHSA-N	315.171	1.641	50	20	DDGD	
CC(C[C@@H]1CCCC(=O)N1)=NNC(=O)c1ccnc(N(C)C)c1	841622774	DBTSAFNQMCDPHZ-ZDUSSCGKSA-N	317.393	1.312	50	20	DDGD	
CC(=O)NN=C(C)c1ccc(S(=O)(=O)CC(F)(F)F)cc1	741757584	SCRYSJPDTRQOBR-UHFFFAOYSA-N	322.308	1.883	50	20	DDGD	
C/C=C\COc1ccc(CCC(C)=NNC(=O)C(N)=O)cc1	920359134	TVROJLIGWHHDJK-JNKIZFHCSA-N	303.362	1.552	50	20	DDGD	
CCN1C(=O)C(=NNC(=O)[C@@H]2CCO[C@H]2C)c2cc(C)ccc21	842556251	MFEMPBNMMMFJPF-NWDGAFQWSA-N	315.373	1.607	50	20	DDGD	
CCc1ccc2c(c1)C(=NNC(=O)NCCCOC)C(=O)N2	920829218	BISVHBZYGXSEGK-UHFFFAOYSA-N	304.350	1.241	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1ccc2c(c1)CCO2	740763062	WAZGYIAVCRUYNE-UHFFFAOYSA-N	317.389	1.767	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H]1CCCN1C(=O)C1CC1	843755078	WTRSIPSFDRQMFF-AWEZNQCLSA-N	315.373	1.157	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCCc2c(O)cccc21	843972154	SXHKIYMIRQJQMA-COPLHBTASA-N	318.373	1.385	50	20	DDGD	
C=C[C@H](CC)CC(=O)NNC(=O)COc1ccccc1OC	929247051	XMJFARWMILNYHO-GFCCVEGCSA-N	306.362	1.824	50	20	DDGD	
CCOc1cc(C=NNC(=O)C(C)(C)O)ccc1OC(=O)CC	841638441	RSJJNZSUEXLQLO-UHFFFAOYSA-N	322.361	1.622	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccccc1NC(C)=O	755738293	HDQMHCVCVJYQRK-UHFFFAOYSA-N	318.377	1.400	50	20	DDGD	
Cc1cc(CNC(=O)NC[C@]2(C)C[C@@H]2Br)n[nH]1	856835293	OSWVSRWOAXGZDB-ONGXEEELSA-N	301.188	1.691	50	20	DDGD	
C[C@]1(CNC(=O)N(CCO)C2CCC2)C[C@@H]1Br	856956261	WQMZMDCTXKAAHX-CMPLNLGQSA-N	305.216	1.716	50	20	DDGD	
CC1=NO[C@H](C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)C1	854206917	IGAANSJJEXKIHC-ZDUSSCGKSA-N	303.362	1.910	50	20	DDGD	
CN(Cc1nncn1C)C(=O)NC[C@@]1(C)C[C@@H]1Br	856959468	VBOBDISVRPMMEM-GZMMTYOYSA-N	316.203	1.130	50	20	DDGD	
COCCN1CC[C@H](NC(=O)NNc2ccc(C)c(F)c2)C1	853768132	WTRSFFPEHPEGQQ-ZDUSSCGKSA-N	310.373	1.481	50	20	DDGD	
C[C@@H]1CCC[C@@H](C)C1NC(=O)NNC(=O)c1cccc(F)n1	853820915	VZJMJEJVIXATLC-NXEZZACHSA-N	308.357	1.989	50	20	DDGD	
CN1CC[C@@H]1CNC(=O)NNc1ccccc1OC(F)(F)F	925416015	GXKHWWNXALACAB-SECBINFHSA-N	318.299	1.915	50	20	DDGD	
CC1(CO)CCN(C(=O)NC[C@]2(C)C[C@H]2Br)CC1	856951826	FCFFIDZBMLTFTG-MFKMUULPSA-N	319.243	1.964	50	20	DDGD	
COc1ccc2c(=O)c(C(=O)NCCCSC#N)c[nH]c2c1	857243628	RIUQJSCRUBODML-UHFFFAOYSA-N	317.370	1.871	50	20	DDGD	
CN(C)CC(C)(C)NC(=O)NC[C@]1(C)C[C@H]1Br	856959988	KNBGGHVPGPHZQN-SKDRFNHKSA-N	306.248	1.799	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C1(C(=O)OC(C)(C)C)CCC1	854287442	ARRZSXNNDSAZPV-UHFFFAOYSA-N	321.377	1.298	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NC2CC2)[nH]c2c1C(=O)CC(C)(C)C2	920822662	VAXMTHXOKHBOLC-UHFFFAOYSA-N	318.377	1.585	50	20	DDGD	
C#CCN1CCC[C@@H](NC(=O)/C(C#N)=C/c2ccc(F)cc2)C1	923584204	PHYVLQAQVUKTFQ-GSPCDJLXSA-N	311.360	1.946	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cnn(-c2ccccc2C)c1C	854926058	UCDZVZBQYZGINA-UHFFFAOYSA-N	317.418	1.570	50	20	DDGD	
Cc1ccc(NNC(=O)C2(S(C)(=O)=O)CCCC2)cc1F	856229867	ZRHKBDZRRZJYQE-UHFFFAOYSA-N	314.382	1.935	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C2=CCOCC2)c1C	854186576	OIANLVYDAKZPPJ-UHFFFAOYSA-N	305.403	1.968	50	20	DDGD	
COc1cccc(NCC(=O)NN=C2CN(C3CC3)C[C@@H]2C)c1	755888944	ZOIQVCNDIOQGBZ-LBPRGKRZSA-N	316.405	1.693	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)Cc2ccc(Cl)cc2)O1	756903349	DHMCTAQEIWUJQH-STQMWFEESA-N	310.781	1.988	50	20	DDGD	
C=CCCSCCNC(=O)NNc1nc(C)cc(OC)n1	852489204	ZEDIWWXLDODLSB-UHFFFAOYSA-N	311.411	1.729	50	20	DDGD	
Cc1ccc(NNC(=O)NCCOC[C@@H]2CCOC2)cc1F	853710929	FIGCUKLCJHIGIE-GFCCVEGCSA-N	311.357	1.813	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCCC2)c1cccnn1	858147797	AHPCPYITYHSDAC-UHFFFAOYSA-N	302.359	1.492	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc(C(=O)OC)c(F)c1	853276507	DKPOEMKAICBHNA-UHFFFAOYSA-N	323.368	1.794	50	20	DDGD	
CCCn1nc(C)c(C(=O)NNC(=S)NCC2CCC2)c1C	855090192	BMROTHMONHJUHN-UHFFFAOYSA-N	323.466	1.819	50	20	DDGD	
CC[C@@H](C)CC[C@H](O)CC(=O)NNC(=O)C1CCOCC1	923058868	MQSGLGPJSDKIEX-YPMHNXCESA-N	300.399	1.138	50	20	DDGD	
CC1(C)CC(C)(C)c2cc(NC(=O)NNC(=O)CO)ccc21	757783589	CDFDDANPWNZGSV-UHFFFAOYSA-N	305.378	1.791	50	20	DDGD	
CN(C)C(=O)CCCC(=O)NC[C@@]1(C)C[C@@H]1Br	857733224	IBJJVJUTVMKUFR-JOYOIKCWSA-N	305.216	1.535	50	20	DDGD	
N#Cc1cnc(C(=O)NNc2cc(Cl)nc(N)n2)c(Cl)c1	753451188	GUIXATMLNTWKGT-UHFFFAOYSA-N	324.131	1.389	50	20	DDGD	
CCCc1ccc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)s1	857207712	IYVUMJHYYPROBT-SNVBAGLBSA-N	314.432	1.585	50	20	DDGD	
COc1ccc(C)cc1CC(=O)NNC(=S)N[C@@H](C)C1CC1	751615980	DKQWUYALHBVMKN-NSHDSACASA-N	321.446	1.840	50	20	DDGD	
CN(C)c1ccc(NC(=O)NN=Cc2cnc3ncccn23)cc1	755741879	ASCQEOWKTVRGQQ-UHFFFAOYSA-N	323.360	1.951	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1cc(F)cc(Cl)c1	757700495	CYSUQULKIKWOPS-UHFFFAOYSA-N	309.688	1.736	50	20	DDGD	
CNC[C@@H]1CCCN(C(=O)NC[C@]2(C)C[C@H]2Br)C1	857105210	GKDTXHWANNDJBC-LOWVWBTDSA-N	318.259	1.801	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)[C@@H]1[C@H]2CCC[C@H]21	753080326	XQKBPPFZNYLBGV-GDNZZTSVSA-N	309.460	1.832	50	20	DDGD	
CN(CCNC(=O)NC[C@@]1(C)C[C@@H]1Br)C1CC1	856838501	COGITJGIZOBLKU-CMPLNLGQSA-N	304.232	1.553	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cccn1C(C)C	854283494	YEMIBXFPPJMQNK-UHFFFAOYSA-N	312.439	1.557	50	20	DDGD	
CN1CC[C@@]2(CCCN(C(=O)/C(C#N)=C\c3cnn(C)c3)C2)C1	854734816	DMVDWUCCRMUDLW-KCPLEYNQSA-N	313.405	1.271	50	20	DDGD	
COc1cccc(F)c1C(=O)NNC(=S)NCC1CCC1	855091639	XWZCUJBREOPXIQ-UHFFFAOYSA-N	311.382	1.743	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)CS(=O)(=O)CC(C)C	855366694	FJCWCDGSBFMHDV-UHFFFAOYSA-N	302.371	1.648	50	20	DDGD	
Cc1cccc(NNC(=O)C2CCN(C(=O)N(C)C)CC2)n1	862524416	JLOKPOLQNFKOFS-UHFFFAOYSA-N	305.382	1.227	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C#N)cc1)c1cscn1	767895673	ABNAXAGHBCVERN-UHFFFAOYSA-N	300.343	1.934	50	20	DDGD	
C[C@@H]1C[C@H](N)CN1S(=O)(=O)c1ccc(CCCCl)cc1	866792488	CWYQHUZMNQDZCW-YPMHNXCESA-N	316.854	1.968	50	20	DDGD	
C[C@@H]1COC[C@@H]1NS(=O)(=O)c1ccc(CCCl)cc1	699460934	CJGCSOVXOZOWIH-MFKMUULPSA-N	303.811	1.781	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H]1CCN(CC(F)F)C1	867415563	GVZOGEARAMZGNJ-SECBINFHSA-N	318.817	1.510	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cc2c(cc1O)OCO2	768243653	RUTOKXKYSPEXEW-UHFFFAOYSA-N	317.257	1.786	50	20	DDGD	
CC(C)(C)OCc1ccccc1C(=O)NNC(=O)c1cn[nH]c1	862470864	LTQAOOLMJLUXIC-UHFFFAOYSA-N	316.361	1.800	50	20	DDGD	
COCCN(C)NC(=O)CCCc1ccc2c(c1)OCCCO2	861657400	WPMHRKZYIDRESB-UHFFFAOYSA-N	322.405	1.780	50	20	DDGD	
CCn1c(SC/C=C\C#N)nc2cc(S(N)(=O)=O)ccc21	763296926	BDNVSXHAFAYNKI-ARJAWSKDSA-N	322.415	1.875	50	20	DDGD	
CCNC(=O)N(C)N=Cc1ccccc1OCC(=O)N(C)C	769592122	MYYPKTVRXOBVDM-UHFFFAOYSA-N	306.366	1.149	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1ncnc2ccsc12	766673350	LVYWOYJFLPQRJV-NSHDSACASA-N	301.375	1.232	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNc1nc2ccccc2cc1C	867242702	DITGKYJVZJFAFB-ZDUSSCGKSA-N	300.362	1.901	50	20	DDGD	
C[C@@]1(C(=O)NCC(Cl)Cl)Oc2ccccc2NC1=O	868327830	PGZOUDPNCUJWRK-LBPRGKRZSA-N	303.145	1.696	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12	762622754	CDTXECCXZMPBSO-BBBLOLIVSA-N	303.453	1.352	50	20	DDGD	
CCn1cc(C(=O)NNc2ccccc2C(=O)OC)c(C)n1	860606378	WHVXFAAZUQGFNP-UHFFFAOYSA-N	302.334	1.755	50	20	DDGD	
O=C(O)c1ccc2c(C=NNC(=O)c3ccccn3)n[nH]c2c1	765541885	DCATXFFZJLGRHM-UHFFFAOYSA-N	309.285	1.420	50	20	DDGD	
O=C(CCCOc1ccc2c(c1)OCO2)NNc1ncccn1	764763288	SHDIBJTYHUBSMP-UHFFFAOYSA-N	316.317	1.508	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)Nc1ccc2[nH]ccc2c1	764334517	GQLWQAHRGLMUAY-UHFFFAOYSA-N	300.318	1.054	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H](NC=O)C(C)C)cc1C	861791238	JFTOLVRWZMPFFF-AWEZNQCLSA-N	321.377	1.385	50	20	DDGD	
O=C(NN=Cc1csc(C(F)(F)F)c1)C(=O)N1CCCC1	863085553	HWHJBBPQPVAFJI-UHFFFAOYSA-N	319.308	1.839	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(CNC(=O)OC(C)(C)C)o1	765853640	JSAUIQAKWSNNBN-UHFFFAOYSA-N	313.310	1.305	50	20	DDGD	
CC(C)COc1cccc(NC(=O)C(=O)NNC(=O)C(C)C)c1	763820656	MASIOBBEQAOJGC-UHFFFAOYSA-N	321.377	1.463	50	20	DDGD	
Cc1cccc([N+](=O)[O-])c1C(=O)NNc1nncc(N)c1Cl	1116799805	QVDHJIUKEHEIRC-UHFFFAOYSA-N	322.712	1.686	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NNc2ccn(C)n2)C1	1116853040	YJWCFVGZVGWAEG-VXGBXAGGSA-N	307.398	1.148	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)c2c(C)nc(O)nc2O)cc1	1115823934	CHWXDCAZOXZWOH-UHFFFAOYSA-N	316.317	1.359	50	20	DDGD	
O=C(NNc1cncc(Br)c1)[C@@H]1C[C@H]2CC[C@@H]1O2	1117802760	ILJXBZVSSTVPLU-MXWKQRLJSA-N	312.167	1.855	50	20	DDGD	
COCCOCC(=O)NN=C1CCc2cc(F)c(Cl)cc21	872399599	FTUMIRWGPZVYSN-UHFFFAOYSA-N	314.744	1.909	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCc1cccc(OC)c1OC	875116568	IJLNKUFOPLQKOV-UHFFFAOYSA-N	311.338	1.159	50	20	DDGD	
C=CCCc1ccccc1NC(=O)NNC(=O)COCCOC	879495781	VWEZKAZVMXXASU-UHFFFAOYSA-N	321.377	1.621	50	20	DDGD	
COC(=O)COc1ccc(C(=O)NNc2ccccn2)cc1	777473371	DIJJNYCDNMDJFB-UHFFFAOYSA-N	301.302	1.390	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cc(C(F)(F)F)cnc1O	873991102	KIVZXOPZFZFYSZ-UHFFFAOYSA-N	317.267	1.757	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N[C@@H]1CC12CCC2	872794310	NCHQBMLUUNGNFP-LLVKDONJSA-N	313.361	1.529	50	20	DDGD	
CCC1(O)CCC(NC(=O)NNC(=O)c2ccccc2F)CC1	772096081	SCNCGDYFOXRQFA-UHFFFAOYSA-N	323.368	1.853	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccnc1NC(C)C	772159294	KLNUCSXBUBGSJA-SNVBAGLBSA-N	322.365	1.005	50	20	DDGD	
Cc1ccc(-n2nc(C(=O)NNC(=O)C(C)C)cc2C)cc1	777274608	MSLKWBLNJKWQFG-UHFFFAOYSA-N	300.362	1.906	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccccc1SCC#N	887140358	ARTFKRYWQKBWLB-UHFFFAOYSA-N	301.371	1.867	50	20	DDGD	
Cc1ccccc1[C@H](CO)N(C)S(=O)(=O)CCCCl	885517761	BXPLSHIKKLFMKN-ZDUSSCGKSA-N	305.827	1.919	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cc(O)cc(C#N)c2)cc1	776327751	SPXLDFRAVZVRID-UHFFFAOYSA-N	324.340	1.445	50	20	DDGD	
Cc1ccc2oc(C(=O)NNC(=O)C3CCOCC3)cc2n1	883063397	NTFMYQPHOIQOCZ-UHFFFAOYSA-N	303.318	1.324	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(C)C[C@H]1CCN1C(=O)OC(C)(C)C	887296176	WRJVQERRXPONHV-XZHRJIJLSA-N	323.393	1.898	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cc(C)cc(OC)c1O	884434706	UXFAGHYJELNAQW-LLVKDONJSA-N	310.350	1.211	50	20	DDGD	
COc1ccc([C@H](C)CC(=O)NNC(=O)c2cccnn2)cc1	882059440	WYJZWPISFWSOSR-LLVKDONJSA-N	314.345	1.440	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccc(N2CCCCCC2)cc1	899142824	DIUNXWHWOALZED-UHFFFAOYSA-N	314.393	1.952	50	20	DDGD	
CN(C)[C@H](C(=O)NNC(=S)NC(C)(C)C)c1ccccc1	899995324	MMUDGZURVCRXEF-LBPRGKRZSA-N	308.451	1.583	50	20	DDGD	
CC[C@@H]1[C@@H](C(=O)NNC(=O)CNc2ccc(C)cc2)CCN1C	895556965	NWPCZRWEEZTBIV-LSDHHAIUSA-N	318.421	1.285	50	20	DDGD	
CCOc1ccc(C=NNC(=O)C(=O)N2CCCC2)cc1F	782218465	DSAGEHCABRMOKP-UHFFFAOYSA-N	307.325	1.297	50	20	DDGD	
CSC1(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)CC1	789199276	KXYVGVFBVVTMEU-VIFPVBQESA-N	302.396	1.007	50	20	DDGD	
Cc1ccnc(-n2nc(C)cc2NC(=O)NNc2ncccn2)c1	786074026	MZVXORQKWKVWHT-UHFFFAOYSA-N	324.348	1.823	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CC(C)C)cc2c1O[C@@H](C)C2	789852658	VXOYNMSSTBXXNT-JTQLQIEISA-N	306.362	1.826	50	20	DDGD	
NCC12CCC(CC1)N2C(=O)NNC(=O)c1ccccc1F	892470909	ZALSVFYCBQMNGP-UHFFFAOYSA-N	306.341	1.136	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccc(CN2CCCCC2)o1	899144429	XNGXGEACFNWHNH-UHFFFAOYSA-N	304.354	1.151	50	20	DDGD	
COc1cccc(NNC(=O)c2c(C(F)(F)F)n[nH]c2C)n1	781024113	SPIWKXCKMKMYIV-UHFFFAOYSA-N	315.255	1.897	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2ccc(N(C)C)c(F)c2)CC1	790173077	DIRPPYDDOAFYMM-UHFFFAOYSA-N	307.373	1.183	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21)c1cc2ccccc2cc1O	891823336	QKLWIMYIWBFGNE-XFBWCDHKSA-N	324.336	1.532	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)CCc1cccc(Cl)c1	795282725	HVZQGADWHBYKNU-UHFFFAOYSA-N	304.799	1.489	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@H]2CCOC3(CCC3)C2)n1	896507775	BFOYMJCUMALFTO-NSHDSACASA-N	305.382	1.335	50	20	DDGD	
COCCN(C)c1ccc(C=NNC(=O)c2ccccn2)cn1	790136144	BIDVZDRWNGCEBZ-UHFFFAOYSA-N	313.361	1.323	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)c1cnoc1C	799479389	PHZUULYDEXICFU-UHFFFAOYSA-N	306.347	1.315	50	20	DDGD	
Cn1ccc2c(C(=O)NNC(=O)NCC(F)(F)F)cccc21	798313608	JVZGIPOQDSXEMY-UHFFFAOYSA-N	314.267	1.685	50	20	DDGD	
O=C(NNc1ccccn1)c1cnn(CCO)c1-c1ccccc1	793779160	JZCCZLFCZZRGLS-UHFFFAOYSA-N	323.356	1.694	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)c2cc(Cl)ccc2O)CC1	799831431	IDWWTGKHGWZARV-UHFFFAOYSA-N	312.753	1.623	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cccc2c[nH]nc12	1318684820	JCGLNWPNZDXEQG-UHFFFAOYSA-N	300.347	1.674	50	20	DDGD	
CN(CC(=O)NNC(=O)C1CC1)Cc1cc2ccccc2[nH]1	1319463002	NRYOGWPBAMQJMA-UHFFFAOYSA-N	300.362	1.157	50	20	DDGD	
CC(C)(C)c1nc(C=NNC(=O)C[n+]2ccccc2)cs1	1318011223	OGTKDFQNRRUXGW-UHFFFAOYSA-O	303.411	1.878	50	20	DDGD	
Cc1c(C(=O)NNc2nncc(N)c2Cl)cnn1C(C)(C)C	1319215024	MEGWPLWZLAUFMM-UHFFFAOYSA-N	323.788	1.729	50	20	DDGD	
COC1(CNC(=O)NNc2nncc(N)c2Cl)CCCC1	1325362806	JCENUFPVTAZEAA-UHFFFAOYSA-N	314.777	1.298	50	20	DDGD	
O=C(NNC(=O)C1(Oc2ccccc2)CC1)NC1CCCC1	1325782869	PVDPNXPEWHLYPU-UHFFFAOYSA-N	303.362	1.871	50	20	DDGD	
CCN(Cc1ccccc1F)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	1326299871	UFFAPUNMEGTSSN-DGCLKSJQSA-N	323.368	1.813	50	20	DDGD	
CC1(C)CCc2nc(O)c(C(=O)NN=c3cc[nH]cc3)cc2C1	1320201251	VNZFJRYBNAMVAW-UHFFFAOYSA-N	312.373	1.876	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccc(-n2ccc(C)n2)c1	1321625951	UCUXZNFTDVPPPM-UHFFFAOYSA-N	315.402	1.476	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1ccc2nonc2c1	1329110071	GRCSXQCVZCYXQB-UHFFFAOYSA-N	310.182	1.655	50	20	DDGD	
Cc1ncc(C(=O)NNc2cncc(Br)c2)c(N)n1	1330736336	DJMOZOXXCLQWGD-UHFFFAOYSA-N	323.154	1.282	50	20	DDGD	
COC(=O)c1ccnc(NC[C@@]2(C)C[C@@H]2Br)n1	1338055766	XEVGUKCCURKYNP-GZMMTYOYSA-N	300.156	1.849	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1n[nH]c2c1CCCC2)c1ccco1	1339576826	TXRQCUHVNYTUSP-SECBINFHSA-N	302.334	1.446	50	20	DDGD	
C=C(CC)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1	1346411797	JWPVMVCSXSQQDY-UHFFFAOYSA-N	309.391	1.537	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccccc1OCC(F)(F)F	1342575065	WLNNWZNJLARAHF-UHFFFAOYSA-N	321.255	1.163	50	20	DDGD	
CC1(C)[C@@H]2CC[C@@]1(C(=O)NN=c1cc[nH]cc1Cl)C(=O)C2	1519882646	AYPVEXSLUJGGQS-PSLIRLAXSA-N	307.781	1.995	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21	1522029771	NZHPYZAIPZUQDD-RRFJBIMHSA-N	315.373	1.082	50	20	DDGD	
Cc1cc(NNC(=O)c2ccccc2CCC(=O)O)nc(N)n1	1600282046	ZUPZTZOUOXFVFT-UHFFFAOYSA-N	315.333	1.141	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(CC(=O)O)cc1)c1cn[nH]c1	1604289749	BFZLSGPPDWWVJG-SECBINFHSA-N	303.322	1.424	50	20	DDGD	
COc1ccccc1NNC(=O)Nc1cccc(C(=O)O)n1	1607346389	DEUYNFIKMYCZAO-UHFFFAOYSA-N	302.290	1.937	50	20	DDGD	
O=C(Cc1ccc(C(=O)O)cc1)NNc1nccnc1Cl	1608359344	LADMIBKMFHDHSK-UHFFFAOYSA-N	306.709	1.514	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2cccc(C(=O)O)c2)c2nccn21	1609845183	QNOKKHZHKGGWHI-BXKDBHETSA-N	315.333	1.913	50	20	DDGD	
O=C(O)[C@H](CNS(=O)(=O)CCl)Cc1cccc(F)c1	1601653444	NWYZZEWZQFDUCA-VIFPVBQESA-N	309.746	1.185	50	20	DDGD	
Cn1c(CNC[C@]2(C)C[C@@H]2Br)ccc1C(=O)O	1608100794	ATZUCFWJMCAFGA-JQWIXIFHSA-N	301.184	1.986	50	20	DDGD	
C/C(=C/C(=O)NNc1ccc(-c2nn[nH]n2)cn1)c1ccco1	1602899676	GUEBXRFBBBCKPH-CLFYSBASSA-N	311.305	1.401	50	20	DDGD	
Cc1oc(C=NNC(=O)CNc2ccccc2)cc1C(=O)O	1610579719	LAKGYHBFAYWWOX-UHFFFAOYSA-N	301.302	1.848	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@](C)(CC(=O)O)c1ccccn1	1610036387	VPFGAWQWHICOGT-WOLCWHLNSA-N	303.318	1.332	50	20	DDGD	
CC(C)OC[C@H](N)C(=O)NNc1ncc(Cl)cc1Cl	1575791158	UFFGDOCEHPKVKI-VIFPVBQESA-N	307.181	1.584	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2NCC23CCOCC3)cc1Cl	1579723693	IURPMRJHQUKPDQ-ZDUSSCGKSA-N	309.797	1.860	50	20	DDGD	
N#CCCCC[C@H](N)C(=O)NNc1cc(F)c(F)cc1F	1580050946	SXJHNQQZLNDQKD-NSHDSACASA-N	300.284	1.958	50	20	DDGD	
Cc1nc[nH]c1C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1843521832	MUZWHOJURBRBPC-SNVBAGLBSA-N	314.748	1.070	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)[C@H](C)C(=O)O)cc2C1	1589364881	BTCATKYPJRJRGI-YUMQZZPRSA-N	310.375	1.355	50	20	DDGD	
COCC1(C(=O)N2CCCC23CN(C(=O)[C@H](F)Cl)C3)CC1	1841595926	KICIUVOYOGKHDG-JTQLQIEISA-N	318.776	1.151	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)[C@H]1C[C@H]2CC[C@H]1NC2	1580699238	IBQIFSXWOLZWKC-KGYLQXTDSA-N	322.434	1.009	50	20	DDGD	
COC[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843362506	YWVUKVXBLMQBAZ-NXEZZACHSA-N	306.765	1.007	50	20	DDGD	
N[C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)CCCCl)C1	1580197803	CKMSLZIRPKWVIG-AGIUHOORSA-N	324.874	1.306	50	20	DDGD	
C[C@]1(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CCCS1	1590121209	ZIYCMRXAMYPWGF-CQSZACIVSA-N	316.390	1.868	50	20	DDGD	
O=C(NN=Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CCCCO1	1593155152	BWYBYZKOOUZOLD-LBPRGKRZSA-N	318.312	1.025	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NC[C@](C)(C(=O)O)c1ccccc1	1590037150	HEPHDIGASHFAMF-TYZQSYOASA-N	302.330	1.589	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C\c1cccc(F)c1-c1nn[nH]n1	1590649204	OQMNBFCTFMSFMX-YFHOEESVSA-N	321.337	1.695	50	20	DDGD	
O=C(NN=Cc1cc2n(n1)CCC2)Nc1ccc(C(=O)O)cc1	1776046068	ZKPBKCONQRRZHN-UHFFFAOYSA-N	313.317	1.683	50	20	DDGD	
O=C(Cc1ccccc1)NN=Cc1cccn2c(C(=O)O)cnc12	1776018990	RUNSVUXGSREGCU-UHFFFAOYSA-N	322.324	1.725	50	20	DDGD	
Cc1[nH]nc(C=NNC(=O)Nc2ccc(C(=O)O)cc2)c1C	1776046327	LCAFVOKWUTUOCC-UHFFFAOYSA-N	301.306	1.880	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc2c(c1)CCC2)c1ccccc1	16123809	QRWCZLZDPGYNHA-UHFFFAOYSA-N	316.382	1.799	50	20	DDGD	
CCCOc1cccc(C(=O)NNC(=O)c2cc(C)n[nH]2)c1	153131808	JMSBTHNWLRBVSA-UHFFFAOYSA-N	302.334	1.582	50	20	DDGD	
Cc1ccn2c(=O)c(C(=O)NNc3cccc(F)c3)cnc2c1	155010733	KMFAIEUZEFNVRG-UHFFFAOYSA-N	312.304	1.899	50	20	DDGD	
CC(C)NC(=O)NNC(=O)Cc1csc(-c2ccoc2)n1	157500301	TZHZHISISMYAGM-UHFFFAOYSA-N	308.363	1.684	50	20	DDGD	
CN(C)Cc1cccc(C(=O)NNC(=O)Cc2cccnc2)c1	156235818	FJXAPKMREXBTBF-UHFFFAOYSA-N	312.373	1.147	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(=O)c3ccccc3o2)nc1	159591461	PKCIJVGKAKSMIS-UHFFFAOYSA-N	311.297	1.954	50	20	DDGD	
COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(Cl)Cl	496586130	SLRYTZZRMQNRKY-ZETCQYMHSA-N	315.197	1.446	50	20	DDGD	
CCN(CCNS(=O)(=O)CCl)C(=O)OC(C)(C)C	830397872	ZXBORBZNJZVENK-UHFFFAOYSA-N	300.808	1.359	50	20	DDGD	
C[C@]1(CNS(=O)(=O)CBr)C[C@@H]1Br	856755264	TWQPZNXKCPQLBR-NTSWFWBYSA-N	321.034	1.432	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)CCC(C)C)cc1	10238896	BEAIQMHDMPTEGK-UHFFFAOYSA-N	306.362	1.735	50	20	DDGD	
Cc1ccccc1C[C@@H](C)NC(=O)NNC(=O)c1cnn(C)c1	172224987	RYOQXHCXKKUUHE-GFCCVEGCSA-N	315.377	1.304	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)Cc1cccnc1)c1ccccc1	106652115	XLPJBVMNGQCINX-QGZVFWFLSA-N	313.357	1.333	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N[C@@H]1CCC[C@@H]1C	104817966	YWGYJYJMXMGQCZ-CMPLNLGQSA-N	315.377	1.775	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNc2cccnn2)C12CCCC2	174238072	CXNPZBAGPYJJIB-NEPJUHHUSA-N	305.382	1.841	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1C	179631646	DSRGBSZHANBWTR-NHYWBVRUSA-N	305.378	1.677	50	20	DDGD	
Cc1ccc(NNC(=O)NCC(C)(C)N2CCC[C@H](C)C2)nn1	106265905	DREMFSRAIOCCAK-LBPRGKRZSA-N	320.441	1.922	50	20	DDGD	
O=C(NNC(=O)c1c[nH]nc1-c1ccccc1)c1ccccn1	28927154	IUSWLICPSDEVJK-UHFFFAOYSA-N	307.313	1.547	50	20	DDGD	
COCCCCCNC(=O)NNC(=O)Cc1ccccc1OC	58578513	PTGMZKQNVDMJQN-UHFFFAOYSA-N	323.393	1.385	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CSC[C@@H]2CCCCO2)n1	171362596	WCWZOORDQWRWKG-LBPRGKRZSA-N	310.423	1.839	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1oc(C)cc1C	175029705	RKAPXWUZZOBTFT-UHFFFAOYSA-N	317.345	1.778	50	20	DDGD	
O=C(NNC(=S)Nc1ccc(Cl)cc1)c1cnccn1	28349945	LLPJPEVYNXFFEI-UHFFFAOYSA-N	307.766	1.761	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1cccc2cccnc12	65206155	KZPGMNDWWOUNHQ-UHFFFAOYSA-N	316.361	1.144	50	20	DDGD	
NC(=O)c1c[nH]c(C(=O)NNc2cccc(C(F)(F)F)c2)c1	175077817	XORZOTCXINNZEQ-UHFFFAOYSA-N	312.251	1.889	50	20	DDGD	
CC(C)CONC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	119857349	RBVIOGXAZHENHY-UHFFFAOYSA-N	317.349	1.404	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCC(C)(C)c2ccccc2)cn1	117958486	IROKISNUOREJFS-UHFFFAOYSA-N	315.377	1.342	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)Cc1cn2ccccc2n1	173893686	SDCIJCOBQCEVOK-UHFFFAOYSA-N	316.361	1.007	50	20	DDGD	
O=C(NC[C@H](O)c1cccc(F)c1)NNC(=O)c1ccccc1	69078087	MSXDNRRLXNISJU-AWEZNQCLSA-N	317.320	1.503	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C[C@H](C)C(C)C	69372200	GLORCPCRULINQW-LBPRGKRZSA-N	307.394	1.937	50	20	DDGD	
CS[C@@H](C(=O)NNC(=O)c1cccnc1)c1ccccc1	172491096	LDMBGPVODDSBHC-CYBMUJFWSA-N	301.371	1.947	50	20	DDGD	
O=C(NNC(=O)c1csc(-c2cccs2)n1)NC1CC1	64428032	PDPLSZUZLADYDM-UHFFFAOYSA-N	308.388	1.978	50	20	DDGD	
O=C(Cc1c[nH]c2cc(F)ccc12)NNc1ncc(F)cn1	122655248	VBWXOBYXQPQINX-UHFFFAOYSA-N	303.272	1.922	50	20	DDGD	
CN1C[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)CC1=O	125639417	CQDDSHFSMDXZQG-ZETCQYMHSA-N	312.713	1.170	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1c(Cl)nc2ccccn12	122838411	HITNURXGXOSPBZ-UHFFFAOYSA-N	306.688	1.674	50	20	DDGD	
CCN1C[C@H](C(=O)NNc2ccc(OC(F)F)cc2)CC1=O	122414001	LCBTUQWSYUQRME-SECBINFHSA-N	313.304	1.600	50	20	DDGD	
O=C(NNc1ncccn1)Nc1cccnc1OCC(F)F	120448775	FCWUOGRBFKAJTB-UHFFFAOYSA-N	310.264	1.664	50	20	DDGD	
CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)CO)cc2C1	180955664	FABYEUIVARIZME-SNVBAGLBSA-N	310.419	1.652	50	20	DDGD	
Cc1ccc(/C=C(\C#N)S(=O)(=O)NC2CC2)cc1[N+](=O)[O-]	188031707	JJNXHKDUYPUWLN-WUXMJOGZSA-N	307.331	1.850	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(N)c([N+](=O)[O-])c2)n1	180700730	LRBVIVSHRNZCOW-UHFFFAOYSA-N	303.278	1.338	50	20	DDGD	
C[C@@H]1CCN(C(=O)NNC(=O)c2ccc(C#N)cc2)C[C@@H]1C	126709480	JHDSGEOBPSHTCC-NEPJUHHUSA-N	300.362	1.891	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cc(-n2cnnn2)ccc1F	184822633	ZWTXEFWWGRCYMW-MRVPVSSYSA-N	321.316	1.000	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccc(C#N)c(O)c2)cc1	188220358	KAJCHNXCQLECNU-UHFFFAOYSA-N	309.325	1.901	50	20	DDGD	
Cc1cc(NNC(=O)CCc2nnc[nH]2)ccc1Br	132939392	KLJRVBFBYRBPSG-UHFFFAOYSA-N	324.182	1.952	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	43469156	NGIIBQXFLJMEMG-UHFFFAOYSA-N	301.350	1.821	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1ccc2c(c1)COC2	183465979	ASSCDANVXVFVIU-UHFFFAOYSA-N	300.318	1.522	50	20	DDGD	
Cc1cccc([C@H](C)C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c1	131683696	VTVMFCSAIOXYKH-ZFWWWQNUSA-N	324.446	1.591	50	20	DDGD	
COCc1cccc(CNC(=O)NNC(=O)c2ccc(C)o2)c1	84152966	QPLFWGIXBSOVOT-UHFFFAOYSA-N	317.345	1.879	50	20	DDGD	
C=C(C)COCCNC(=O)NNC(=O)Cc1ccccc1F	135014030	GGQZLSJDWWDNLH-UHFFFAOYSA-N	309.341	1.291	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCCc3c(O)cccc32)[nH]n1	190922167	FQYBRJHIQBYSSI-LBPRGKRZSA-N	314.345	1.305	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ncc(F)cc1F	192297170	QGFMRABFZVHJTH-UHFFFAOYSA-N	307.256	1.443	50	20	DDGD	
Cc1cncc(CNC(=O)NNC(=O)Cc2ccccc2F)c1	134476971	LGJSVAFDFMFPOK-UHFFFAOYSA-N	316.336	1.602	50	20	DDGD	
Cn1nccc1C(=O)NNC(=O)CSc1ccc(Cl)cc1	132246725	PJZHGSDNSNUIPL-UHFFFAOYSA-N	324.793	1.627	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H](c2ccccc2)N(C)C)n1	195297907	XNDOEVREKIDSGP-ZDUSSCGKSA-N	301.350	1.231	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cccc(C2OCCO2)c1	133848072	BHCZVGZRZOMCNI-UHFFFAOYSA-N	306.362	1.929	50	20	DDGD	
O=C(NN[C@@H]1CCS(=O)(=O)C1)Nc1ccccc1Cl	48908715	ILMNILCQVRCPFR-MRVPVSSYSA-N	303.771	1.153	50	20	DDGD	
C=CCOC(=O)/C(C#N)=C/c1ccc(N(C)CCOC)nc1	190239004	PJMNFZNAESSIFA-GXDHUFHOSA-N	301.346	1.800	50	20	DDGD	
COc1ccnc(NNC(=O)NCC(C)(C)c2ccncc2)n1	92375833	OUPAXBQAQUMDLJ-UHFFFAOYSA-N	316.365	1.484	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)N[C@H]1CC[C@H](O)CC1	245505591	GDHBDWKLHJCMLG-HAQNSBGRSA-N	317.345	1.680	50	20	DDGD	
COC(=O)CCN1CCN(C[C@H](C)CBr)[C@H](C)C1	248736416	QUNZPLJSBLTZHB-VXGBXAGGSA-N	321.259	1.587	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NN=Cc1cccnc1	250227487	AYZDWPANKDRWCW-UHFFFAOYSA-N	300.274	1.519	50	20	DDGD	
Cc1ccc(NNC(=O)NCCN(C)C(=O)OC(C)(C)C)nn1	264320337	AMLRQRLZZKUZHW-UHFFFAOYSA-N	324.385	1.278	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@@H]1CCCCO1	264568504	HHZQAPQXPCWAJI-NSHDSACASA-N	307.350	1.208	50	20	DDGD	
C[C@@H](O)c1cn(CC(=O)NNc2ccc(Cl)c(F)c2)nn1	269581980	BNKDWHXBQYHTAW-SSDOTTSWSA-N	313.720	1.267	50	20	DDGD	
O=C(COc1ccc(F)cc1Cl)NNC(=O)C1CCC1	264665686	FMTHWIUELZJKOK-UHFFFAOYSA-N	300.717	1.805	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)C(=O)C(C)(C)C)c1C	265020107	IGOKYZMWBJYCDH-GFCCVEGCSA-N	320.389	1.833	50	20	DDGD	
CS[C@@H](C(=O)NNC(=O)N1CCOCC1)c1ccccc1	265799596	NGLUGRHXFXYPIP-GFCCVEGCSA-N	309.391	1.164	50	20	DDGD	
CCn1cnnc1CNC(=O)NNc1cc(F)c(F)c(F)c1	266942186	IIGXKIGUUXULGV-UHFFFAOYSA-N	314.271	1.542	50	20	DDGD	
Cc1ccc(N2CCC(C(=O)NNc3cccnn3)CC2)nc1	369480178	LCZZFBRCGYIWBE-UHFFFAOYSA-N	312.377	1.540	50	20	DDGD	
C=CCNC(=O)c1ccc(NC(=O)NNC(=O)CC2CC2)cc1	273481535	LDLKOTUTHHZFOA-UHFFFAOYSA-N	316.361	1.555	50	20	DDGD	
CC[C@@](C)(NC(=O)/C(C#N)=C\c1ccc(O)cc1)C(=O)OC	278546496	DCYALIMOLFLQAY-HMWXGYMHSA-N	302.330	1.757	50	20	DDGD	
CC[C@H]1C[C@@H](CC(=O)NNC(=O)c2ccccc2O)CCO1	273268202	WOXQKZTUPUQPOI-RYUDHWBXSA-N	306.362	1.749	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H](C)COCC(F)(F)F)n1	272515581	IETPHQMQVAJYGP-MRVPVSSYSA-N	322.287	1.684	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1	273589983	IPTJFWUXNGPGNE-UHFFFAOYSA-N	307.331	1.580	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)n1	373716197	SQACEJKRKKRZDD-FUNVUKJBSA-N	315.373	1.546	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H]1CCc2cc(C)ccc2O1	280268083	ONTGBZHVHDIGMN-CYBMUJFWSA-N	314.345	1.631	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C(C)(C)C)c1c(F)cncc1F	287471707	SDOGIDVXTDBSKG-ZETCQYMHSA-N	300.309	1.797	50	20	DDGD	
CC1(C)CC[C@H]1NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	287520220	WXYSHLFDJVXJEC-QWHCGFSZSA-N	319.361	1.345	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CC[C@H]2C(=O)OC)c1	285817924	NEWREGGHYNNBMM-VXGBXAGGSA-N	306.318	1.116	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NCCSSC)c(C)n1	285075079	GCFUKMVMPKHPJR-UHFFFAOYSA-N	315.420	1.465	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NNC(=O)c1ccccc1	281328221	JDUJJNZMJGXUKD-KBPBESRZSA-N	303.362	1.612	50	20	DDGD	
CSSCCNC(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1	375152279	PXJRVTILAALJTJ-WDEREUQCSA-N	306.453	1.587	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C(C)(C)C)n1ccc2ccccc2c1=O	287056443	DYFXBZYTMVWVQV-LLVKDONJSA-N	315.373	1.756	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)c1cnn(CCF)c1	288735966	BGBHZRJOKGMEKI-UHFFFAOYSA-N	318.352	1.637	50	20	DDGD	
CCc1ccccc1N1C[C@@H](C(=O)NN(C)C(=O)OC)CC1=O	286264213	HSAHOCPILMUQDH-LBPRGKRZSA-N	319.361	1.331	50	20	DDGD	
CNc1nnc(CC(=O)NNc2ccc([N+](=O)[O-])cc2C)s1	288682659	MUOSTLTVADTSKT-UHFFFAOYSA-N	322.350	1.482	50	20	DDGD	
O=C(CCSCc1ccccn1)NNC(=O)[C@@H]1CCCCO1	295591000	DGQXUCRULZAFIZ-ZDUSSCGKSA-N	323.418	1.421	50	20	DDGD	
CCc1oc(C=NNC(=O)c2ccc(N)cc2)cc1C(=O)OC	800804725	AWXWBGFLRJJYJQ-UHFFFAOYSA-N	315.329	1.975	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)c[nH]1	802005925	BRKQQDMUDRJTGR-UHFFFAOYSA-N	305.244	1.631	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cccc(OC[C@@H]2CCCO2)c1	299294851	IQOFOIOGJLBGLQ-AWEZNQCLSA-N	321.377	1.597	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)[C@@H]1OC[C@H]2COCC[C@@H]21	291431484	YNRWMNWJNIXIGL-BFHDXFOESA-N	316.279	1.599	50	20	DDGD	
COCCN(C)NC(=O)c1c(F)ccc(Br)c1F	297178923	UIWZEGJGWHIGAT-UHFFFAOYSA-N	323.137	1.950	50	20	DDGD	
CC(C)[C@](C)(O)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	802000757	ZOWTYVCTKVMCAH-ZDUSSCGKSA-N	301.293	1.525	50	20	DDGD	
COCCCCC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802120817	HVWORIGMQZVVSO-UHFFFAOYSA-N	308.382	1.722	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NNc1ccc2c(=O)[nH]ccc2c1	803438782	FUQHOBFCDDUVHY-VXGBXAGGSA-N	314.389	1.844	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cc(F)ccc1Cl	292956146	HGCATJHDMVWXMF-UHFFFAOYSA-N	301.705	1.166	50	20	DDGD	
CC[C@](O)(C(=O)NNC(=O)NC(C)C)c1cccc(Cl)c1	800467388	XZPSNJDYGYCXGB-CQSZACIVSA-N	313.785	1.676	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)NC1Cc2ccccc2C1	296639878	MEYUVGAASKRSMO-CQSZACIVSA-N	303.362	1.053	50	20	DDGD	
O=C(NNC(=O)c1ccnc(-n2cccn2)c1)Nc1ccccc1	801985678	CVCPAHBRZPVXFG-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
COc1cc(C)c(NC(=O)NNC(=O)[C@@H]2CCCO2)cc1C	298487751	QIIBEYRSIKFEDY-LBPRGKRZSA-N	307.350	1.644	50	20	DDGD	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)NN(C)C(N)=O	807181312	OYLSNHGTVBBSSS-UHFFFAOYSA-N	303.318	1.528	50	20	DDGD	
O=C(NCc1ccncc1)NNc1ccc2c(=O)[nH]ccc2c1	806275110	VREJDOMWFYDMGU-UHFFFAOYSA-N	309.329	1.749	50	20	DDGD	
C[C@@H]1Oc2c(cccc2C(=O)NCC(Cl)Cl)NC1=O	808131897	XWVJORAXUQSVIX-LURJTMIESA-N	303.145	1.940	50	20	DDGD	
O=C(NCCCCCN1CCCC1)NNc1ncncc1F	297841180	SCFGPEIQIBHKGI-UHFFFAOYSA-N	310.377	1.508	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)OCCc2ccccc2)[nH]n1	294826216	DCORQSWLXVUWAM-LBPRGKRZSA-N	316.361	1.127	50	20	DDGD	
C[C@H](C(=O)NNc1ncncc1F)N1CCc2ccccc2C1	817077444	GEVRXZCSSIRJOU-LLVKDONJSA-N	315.352	1.506	50	20	DDGD	
COC1([C@H](C)NC(=O)NN(C)c2ccccc2)CCOCC1	817177025	BEZWEDSADBTYDB-ZDUSSCGKSA-N	307.394	1.921	50	20	DDGD	
CC(C)(C)[C@H]1CC(=NNC(=O)[C@@H]2CCS(=O)(=O)C2)CS1	814781333	FSYOTROAOCVBDC-MWLCHTKSSA-N	318.464	1.445	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)o1	814185981	SRHMJANTXTYGMA-UHFFFAOYSA-N	318.289	1.528	50	20	DDGD	
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NNC(=O)c2ccnnc2)o1	817692573	UDYQWORXVSBTAO-MFKMUULPSA-N	314.345	1.587	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCCCN2)c1C	819760583	GCPLGPDRYFTOCV-LFIBNONCSA-N	316.405	1.785	50	20	DDGD	
COCCOc1ncccc1C(=O)NNc1cccc(Cl)n1	817006288	DJSGNMCVCVITHM-UHFFFAOYSA-N	322.752	1.912	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NOC/C=C/Cl)c1	811851565	IUDCURSDBUFTAC-ZZXKWVIFSA-N	313.741	1.388	50	20	DDGD	
COc1ccc(N2CC[C@@H](CNS(=O)(=O)CCl)C2)cc1	819887982	QTNRYTDQOSCORF-NSHDSACASA-N	318.826	1.637	50	20	DDGD	
C=CCOc1ccc(C=NNC(=O)Cc2cc[nH]n2)cc1OC	814955256	XXAUODURZTZBTJ-UHFFFAOYSA-N	314.345	1.676	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)[C@@H]1C[C@H](CC(=O)O)C1(C)C	814825081	XTHXTSMWRXNDMJ-NEPJUHHUSA-N	323.393	1.238	50	20	DDGD	
CC(C)OCc1nc([C@H](C)NC(=O)NNC(=O)C(C)C)no1	811971854	GXFCRZYMZYGLHJ-VIFPVBQESA-N	313.358	1.042	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(OC)c(OC2CCCC2)c1	823874398	SOEWUBFFUFIALK-UHFFFAOYSA-N	322.405	1.976	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12	826447640	PIYJXISUFSWCSB-VDUILEQBSA-N	310.361	1.602	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)OCC(F)(F)F)c1ccc(F)cc1	825518926	GCTWQGZCUBHBGU-LLVKDONJSA-N	324.230	1.353	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1nnc(C2CC2)n1C1CC1	490880093	ULHRIMWDHSURDF-LUAWRHEFSA-N	301.350	1.551	50	20	DDGD	
COc1ccc(NNC(=O)CCc2c(C)nc(O)nc2O)cc1	729272133	KKRMJXTWCDPMJU-UHFFFAOYSA-N	318.333	1.281	50	20	DDGD	
Cc1c(C(=O)NN(C)[C@@H](C)CO)cnn1-c1cccc(Cl)c1	823976369	CEFAHFKRGJULRY-JTQLQIEISA-N	322.796	1.792	50	20	DDGD	
Cn1cnc2cc(/C=C(/C#N)C(=O)N=c3cc[nH]cc3)ccc21	490811692	GYZSWAVDRPHRPJ-JYRVWZFOSA-N	303.325	1.936	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC[C@H](c2ccncc2)C1	829824550	SGYUCHIFYPAVFJ-AWEZNQCLSA-N	304.394	1.064	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)NOCC1CCC1	824021843	DWKDSAPICAMXJS-UHFFFAOYSA-N	311.769	1.945	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc(CC)c(Cl)c1	495898508	OONLDPNATRNTGR-UHFFFAOYSA-N	313.741	1.618	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2nnc(C3CC3)s2)cn1	491008378	HTGBIAANSHBFPA-WMZJFQQLSA-N	300.347	1.695	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1nn(-c2ccccc2)c2c1CCC2	823983674	ZEAGBZFFRCAYOQ-LBPRGKRZSA-N	314.389	1.318	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNC(=O)c1ccc2ccccc2c1	822596151	OQHQVLGEFDJRAH-CQSZACIVSA-N	318.398	1.715	50	20	DDGD	
CC1(C(=O)NNC(=O)c2ccc(Cl)cc2O)CCOCC1	726800130	GIBBKUZOXVJCID-UHFFFAOYSA-N	312.753	1.623	50	20	DDGD	
CN(NC(=O)C(=O)c1cnn(C(C)(C)C)c1)C(=O)OC(C)(C)C	496027562	IERJDRONMWMPBV-UHFFFAOYSA-N	324.381	1.719	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(-c2ccccc2)nn1	494361265	AGWFXKMULOFIFJ-UHFFFAOYSA-N	301.306	1.926	50	20	DDGD	
CCCCC[C@@H](O)C(=O)NNC(=O)COc1cc(C)ccc1C	822195920	NUAABTJGNORSMA-CQSZACIVSA-N	322.405	1.771	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)C1(Cc2ccccc2)CCOCC1	823918051	QVIWICMHRWYEAS-CQSZACIVSA-N	306.406	1.370	50	20	DDGD	
N#C[C@H]1CC[C@@H](NC(=O)NNC(=O)COc2ccc(F)cc2)C1	824778744	SNKLWECZGTVSIG-CMPLNLGQSA-N	320.324	1.227	50	20	DDGD	
OB(O)c1ccccc1CN[C@H]1CC[C@H](C(F)(F)F)CC1	585048798	DAEDDCIMIJMPLA-HAQNSBGRSA-N	301.117	1.577	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCc1nnnn1CC1CC1	491177355	WAWCHKFTYYUFFF-QPEQYQDCSA-N	324.344	1.012	50	20	DDGD	
O=C(CSC1CC1)NNC(=O)c1cc(Cl)ccc1O	823975275	ZSPCPQAXBUZMDZ-UHFFFAOYSA-N	300.767	1.702	50	20	DDGD	
CC(C)CC(=O)N[C@H](C(=O)NN(C)[C@H](C)CO)c1ccccc1	823960004	UBPWEGKBKAOOLM-CJNGLKHVSA-N	321.421	1.234	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1ccc2nccn2c1	731809321	CABOHKMMTHFYFX-UHFFFAOYSA-N	321.300	1.536	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(F)c(O)c1	901262237	WKZRKDGVSTYLHN-DOMZBBRYSA-N	321.352	1.235	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NNc2cccnn2)cc(C#N)n1C	490880002	UBLTXXPVNFGTKM-WUXMJOGZSA-N	307.317	1.045	50	20	DDGD	
OB(O)c1ccc(CN[C@@H](CC(F)F)c2ccccc2)cc1	585048584	SVIWZHYAQXZMQX-HNNXBMFYSA-N	305.133	1.853	50	20	DDGD	
OB(O)c1ccc(CNCc2cc3c(s2)CCSC3)cc1	585031248	TVQGBDIXIZRXEQ-UHFFFAOYSA-N	319.260	1.507	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N2C[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)c1	836276897	RJICIBHZKNDYKK-DARAHFNDSA-N	324.384	1.891	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc(C)cc1)C[C@H]1CCOC1	734151426	HUWQEMKZWVZEFP-CQSZACIVSA-N	319.405	1.114	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCCO1)c1ccccc1-n1ccnn1	834986149	MTMREBBDZXFODU-HNNXBMFYSA-N	313.361	1.677	50	20	DDGD	
CS(=O)(=O)Nc1cccc(C(=O)NCC(Cl)Cl)c1	837651863	RBYJZTTXEXTBOC-UHFFFAOYSA-N	311.190	1.592	50	20	DDGD	
Cc1nc(CCC(=O)NNC(=O)c2ccc(Cl)nc2)cs1	733134530	SODGQFKJCTVUJV-UHFFFAOYSA-N	324.793	1.894	50	20	DDGD	
CO[C@H](C=NNC(=O)CNc1ccccc1F)C1CCOCC1	834921477	VVRGLXCILAZPGA-OAHLLOKOSA-N	323.368	1.781	50	20	DDGD	
CCC[C@H](CC(C)C)C(=O)O[C@@H](C)C(=O)NNC(=O)CC	838250614	ACBIFXSYNWBKFO-NWDGAFQWSA-N	300.399	1.938	50	20	DDGD	
CCOCC(=O)NNC(=S)N[C@H](CC)c1cccs1	734378779	COAAFRHRDVNPSC-SECBINFHSA-N	301.437	1.731	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@H](C)COCc1ccccc1	731282934	YWXWCSHUDADDSX-ZDUSSCGKSA-N	323.393	1.206	50	20	DDGD	
CCc1ccc(C(C)(C)C(=O)NNC(=O)c2ncon2)cc1	832825803	IABLUCRUKBFTJD-UHFFFAOYSA-N	302.334	1.371	50	20	DDGD	
C[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccc(B(O)O)cc2)C1	584996420	HHJRSVGJKVUBCA-RHSMWYFYSA-N	323.201	1.632	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)NC1CN(C(=O)O)C1	831742557	KDAUAENGYBWXKN-UHFFFAOYSA-N	304.228	1.092	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cnn([C@H](C)C2CC2)c1	831700721	NSKCWRMBMOCYIT-GBIKHYSHSA-N	321.381	1.432	50	20	DDGD	
O=C(CN1CSCC1=O)NNc1nccc2sccc12	734249237	OXPHZPBGYIESTL-UHFFFAOYSA-N	308.388	1.272	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNc1ncc(Cl)cc1Cl	839729474	WMUJDPLHETZDOE-MRVPVSSYSA-N	319.192	1.979	50	20	DDGD	
COCCN(C)NC(=O)c1cnnn1-c1ccccc1Cl	837623220	NUTYDWFQZFMTRD-UHFFFAOYSA-N	309.757	1.144	50	20	DDGD	
CC[C@H](C)[C@@H](C)N(C(=O)c1ccc(B(O)O)c(F)c1)C1CC1	584940925	BLEFQINTXPMVMF-WDEREUQCSA-N	307.174	1.545	50	20	DDGD	
CC(C)(C)NC(=O)CCNC(=O)NNc1ccc(F)c(F)c1	916558108	HPBHERFJKBMJHR-UHFFFAOYSA-N	314.336	1.896	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)[C@H]1CCCCO1	833246232	GFXUNIFVCFHZFT-ZKYQVNSYSA-N	324.327	1.785	50	20	DDGD	
Cc1cc(NNC(=O)c2nn(C)c(=O)c3ccccc23)nc(C)n1	736711940	SXDPEIJTJHKDQE-UHFFFAOYSA-N	324.344	1.097	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1ccccc1Br	833384391	IFSANBJOJTXZCI-UHFFFAOYSA-N	314.139	1.557	50	20	DDGD	
O=C1C[C@@H](NS(=O)(=O)CCl)CN1c1c(F)cccc1F	831019955	LWEWUPBIKXHRAO-SSDOTTSWSA-N	324.736	1.186	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1csc(Cc2ccccc2)n1	910171046	RFHAJPQFXYLBNN-NSHDSACASA-N	305.403	1.691	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NNC(=O)c1cccc(C#N)c1	746217806	BNXDDMUUQUWVFV-VXGBXAGGSA-N	300.362	1.192	50	20	DDGD	
CSc1c(F)cccc1C(=O)NNC(=O)[C@@H]1CCCCO1	833235353	BORCJBSSAAMYSQ-NSHDSACASA-N	312.366	1.878	50	20	DDGD	
O=C(NC[C@H](CCO)c1ccccc1)NNC(=O)C1CCCC1	741091693	WHMBROMAUFDCAW-HNNXBMFYSA-N	319.405	1.673	50	20	DDGD	
CC(C)N1C(=O)C(=NNC(=O)c2cnccn2)c2ccccc21	916664836	MJFSOZYSNLDKKT-UHFFFAOYSA-N	309.329	1.366	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2C[C@H]3[C@H](C2)C3(C)C)cc1	741809794	ZDUNXQSKGSCOHN-KBPBESRZSA-N	301.390	1.344	50	20	DDGD	
Cc1nc(O)c(C(=O)NN(C)C[C@H](C)O)cc1-c1ccccc1	910162376	FTHGASVKDPBMPA-NSHDSACASA-N	315.373	1.720	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CC(N2CCOCC2)C1	911654288	JFABTQUVQIVTPS-ZROIWOOFSA-N	315.348	1.276	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@H]2CCS[C@@H]2C)cc1	845286506	WZTROSMASCAEPC-MFKMUULPSA-N	323.418	1.922	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H](Cc2ccccc2)C(C)C)nc1O	740085726	OXFRKGZGQLDZOD-ZDUSSCGKSA-N	315.377	1.844	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cccc1[N+](=O)[O-]	843642226	WFIJYYRCCKGCTC-ONGXEEELSA-N	307.306	1.089	50	20	DDGD	
CCN(CC)[C@@H](CNC(=O)NNC(=O)C(C)C)CC(C)C	916259065	VAWKPSZJCGDHOK-CYBMUJFWSA-N	300.447	1.729	50	20	DDGD	
COc1ccccc1OCCNC(=O)NNC(=O)c1ccc[nH]1	915889637	JKORPWLOZPYTLS-UHFFFAOYSA-N	318.333	1.046	50	20	DDGD	
C[C@@H]1[C@@H](CO)CCCN1C(=O)NNC(=O)c1cccc(C#N)c1	841577782	FZQQBHHASFSOAW-BXUZGUMPSA-N	316.361	1.005	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=Cc1cc(C)nn1C	841608799	LWOSORLIECVDDQ-UHFFFAOYSA-N	324.388	1.791	50	20	DDGD	
COCc1cc(C(=O)NNC(=O)c2cc3c(s2)CCC3)no1	742473979	MQBAORNEYQLALB-UHFFFAOYSA-N	321.358	1.446	50	20	DDGD	
COc1ccnc(C=NNC(=O)[C@@H](C)CN2CCCCC2)n1	842522102	SOCZXWFZMAGTIY-LBPRGKRZSA-N	305.382	1.057	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(OC(C)(C)C)cn1	843657099	BZFXDRYQZZVCQH-CMPLNLGQSA-N	321.377	1.445	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NNC(=O)Cc1c[nH]c2ccccc12	916133531	WKGPTYULNIYIKU-JSGCOSHPSA-N	301.346	1.283	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)C(C)(C)CO)c1	848044500	KCIQAIKNTNFQMX-UHFFFAOYSA-N	315.757	1.520	50	20	DDGD	
CC(C)[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)CCS1	744423696	NXQKSEDAQIMQDH-LLVKDONJSA-N	301.456	1.253	50	20	DDGD	
Cn1cc(-c2cccc(C(=O)NNC(=O)c3cccn3C)c2)cn1	741663230	DOIQKNFDSFIMRM-UHFFFAOYSA-N	323.356	1.500	50	20	DDGD	
O=C(NNc1ncc(Cl)cc1Cl)[C@@H]1CCCS1(=O)=O	847755445	XUJFZKPSVMZVAD-QMMMGPOBSA-N	324.189	1.409	50	20	DDGD	
CCn1cnnc1CNC(=O)c1c(C)nn(CCCl)c1C	746130350	ZRGICDUJCCBGSO-UHFFFAOYSA-N	310.789	1.280	50	20	DDGD	
CC(C)=CCCC(C)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	749158937	ZCNAYKPWVWSOKS-GFCCVEGCSA-N	301.412	1.595	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H]1CCC(=O)C1	844129500	POKPAWPCVDHFFZ-LBPRGKRZSA-N	304.346	1.144	50	20	DDGD	
CCC(CC)n1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)n1	843663195	WAQXMTPOVUZYEH-JQWIXIFHSA-N	308.382	1.430	50	20	DDGD	
O=C1C[C@@H](CNC(=O)NNc2cc(Cl)ccc2Cl)CN1	840397973	WQWIUURBUABWQO-SSDOTTSWSA-N	317.176	1.756	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)COc1ccccc1F)C(F)(F)F	742471437	PSHUKJNYCRZSLY-ZETCQYMHSA-N	308.231	1.550	50	20	DDGD	
COC(=O)[C@@H]1CN(S(=O)(=O)CCCCCl)C[C@H]1C1CC1	846047722	ATTIIDKLRGIPHX-NWDGAFQWSA-N	323.842	1.466	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNc1nc(-c2ccccc2)no1	845476656	WWLYHTZGDYYGFJ-UHFFFAOYSA-N	317.349	1.342	50	20	DDGD	
CN(C)C1(CNC(=O)NNC(=O)CCCc2ccccc2)CC1	923010219	NJPBPHYPCXIDSP-UHFFFAOYSA-N	318.421	1.434	50	20	DDGD	
CSc1ccccc1CC(=O)NNC(=O)Cc1cc[nH]n1	755264580	XTVGAMFRCKUXFJ-UHFFFAOYSA-N	304.375	1.064	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1cccc(F)n1)[C@H]1CCCO1	852227555	DWRNXQUWZIIXCJ-MWLCHTKSSA-N	310.329	1.122	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@H](O)C(F)(F)F)C[C@@H]1Br	856950807	IZNMQBMTRQKAFJ-VMHSAVOQSA-N	319.121	1.382	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)N[C@@H](C)C2CC2)nn1C(C)(C)C	855102286	JECOGPYEHTXCDM-JTQLQIEISA-N	323.466	1.854	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C[C@@H](n1cccn1)C(F)(F)F	857115649	OCIVRBRXHFGZCW-SECBINFHSA-N	320.315	1.960	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1nc(-c2cnn(C)c2)oc1C	752512561	AOMXZBONNIBLNH-UHFFFAOYSA-N	320.353	1.128	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)c2cccn2C)c(C)c1	929437538	XNRLDLHPMMSMFB-UHFFFAOYSA-N	301.346	1.346	50	20	DDGD	
CCCOc1cccnc1C(=O)NNC(=S)N[C@@H](C)C1CC1	855098045	ANOACDJKEVEOQG-JTQLQIEISA-N	322.434	1.778	50	20	DDGD	
COc1ccccc1NCC(=O)NN=Cc1cnc2ncccn12	755505174	QUODEQUMQQRQAM-UHFFFAOYSA-N	324.344	1.300	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC[C@@H]([C@@H]2CCCCO2)C1	852598760	YQMDQDLLUNEHPW-KGLIPLIRSA-N	311.426	1.071	50	20	DDGD	
C[C@@H]1C[C@@H]1c1ccc(C=NNC(=O)CNC(=O)c2ccco2)o1	750936686	LYLQVWGVFDTTLC-PWSUYJOCSA-N	315.329	1.876	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)OCC(F)(F)F)c1C	856026860	PCARFSMWFCCEHY-UHFFFAOYSA-N	306.240	1.937	50	20	DDGD	
Cc1cccc(NCCNC(=O)NNc2cccc(C)n2)n1	927492869	JICGTOASIOHCPY-UHFFFAOYSA-N	300.366	1.832	50	20	DDGD	
C[C@]1(CNC(=O)C2(O)CCSCC2)C[C@@H]1Br	857734731	UUWYHYNSFCHKTA-WCBMZHEXSA-N	308.241	1.534	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C(C)C)ccc1Br	858142997	CSMTUSQBEWOZCI-UHFFFAOYSA-N	315.167	1.875	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CO[C@@H]2CCC[C@@H](C)C2)nc1	759739896	SKMVEPGDFSLXGO-DGCLKSJQSA-N	321.377	1.907	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)Nc1ccccn1	853846919	UEDITDUNAGSKIZ-UHFFFAOYSA-N	321.381	1.177	50	20	DDGD	
Cc1cnc([C@H](C)N[C@@H](C)C(=O)NNC(=O)CC(C)C)s1	755005066	CHDGGUKURGCOON-QWRGUYRKSA-N	312.439	1.684	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(COC(C)(C)C)on1	854922766	QGSPNXBELGBEBE-UHFFFAOYSA-N	300.384	1.071	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(Cn2ccnn2)cc1	858523018	KGRFXMPUBRQFLG-UHFFFAOYSA-N	301.350	1.134	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ncc(Cl)cn1)N1CCCC1=O	857356671	SZAZUCLZDOJZND-LLVKDONJSA-N	311.773	1.220	50	20	DDGD	
COC(=O)c1cc(Cl)cc(Cl)c1N1CC[C@H](B(O)O)C1	864233809	MOYLMRPXWSIKEO-ZETCQYMHSA-N	317.965	1.833	50	20	DDGD	
COCCOc1cccc(CC(=O)NN=c2cc[nH]c(C)c2)c1	862512593	BFGKBIUVUVHRHG-UHFFFAOYSA-N	315.373	1.523	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@](C)(C1CC1)C(F)(F)F	933568584	DBRQXQHOGOCSFX-DXBFQKDVSA-N	323.315	1.473	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)COC(=O)CCC1CC1	767356274	UTJABMUKVHCTBL-UHFFFAOYSA-N	318.373	1.418	50	20	DDGD	
CC1(C)C(=O)Nc2ccc(C(=O)NNC(=O)c3cccnc3)cc21	768917766	DYLIEPSJKJUWGS-UHFFFAOYSA-N	324.340	1.386	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cc([C@@H]2CCCO2)nn1C	931138552	KZHFPPKPYMLICN-LBPRGKRZSA-N	319.365	1.228	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Nc2cccc(F)n2)c1O	768113803	SHLJGUFWHJEJPK-UHFFFAOYSA-N	320.280	1.401	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H](C)n1ccc(C(F)(F)F)n1	865023514	FKOLLYRQDZDLQR-SSDOTTSWSA-N	307.276	1.203	50	20	DDGD	
C[C@@H](NNC(=O)Cc1ccc([S@](C)=O)cc1)C(F)(F)F	862317909	MSPCABRJRDBMQL-SQFXPLBJSA-N	308.325	1.538	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](C)n1ccc(C(F)(F)F)n1	867278485	BENLWHBMDMZRGC-ZETCQYMHSA-N	307.276	1.155	50	20	DDGD	
Cc1ncc([C@H](C)NC(=O)NNC(=O)Cc2ccncc2)s1	868933607	CSUAOTLLPMWSCN-VIFPVBQESA-N	319.390	1.481	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccccc2O)oc1C	767970521	LCPYCFMSKLLFOT-UHFFFAOYSA-N	304.302	1.442	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@H]1CCCCNC1=O	767029875	MROBAYRUJUQLOO-DTWKUNHWSA-N	305.216	1.581	50	20	DDGD	
O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)CBr	769935651	SSEZLOMOIMWWQU-UHFFFAOYSA-N	314.088	1.795	50	20	DDGD	
COCCOCC(=O)NNC(=O)CCc1ccc(C(C)C)cc1	869909217	NBMNINBOGKCLKJ-UHFFFAOYSA-N	322.405	1.553	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@H]1CCN(C(N)=O)C1	768125148	NDNJUTLZOKXFAQ-YUMQZZPRSA-N	306.204	1.065	50	20	DDGD	
COCCOCC(=O)NNC(=O)[C@]1(c2ccccc2)CC1(C)C	869901424	SSWNIEYIZVUNMX-QGZVFWFLSA-N	320.389	1.165	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)CS(C)(=O)=O)C12CCCCC2	863189279	GZDICLBZGHGNAC-GFCCVEGCSA-N	316.423	1.263	50	20	DDGD	
CC1(C)CC(=NNC(=O)COc2ccccc2C#N)CCO1	872332735	RRXAYPPGYIPMHI-UHFFFAOYSA-N	301.346	1.998	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1c(F)cccc1Cl	771892835	ZLJXJCBKNRLNKS-SSDOTTSWSA-N	316.716	1.582	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@]2(C)CC2(F)F)cn1	874954737	BTWZUKFBVMLWEA-LLVKDONJSA-N	316.333	1.453	50	20	DDGD	
CNC(=O)CCCC(=O)NNC(=S)Nc1ccc(C)c(C)c1	873763143	OJRRAHKOLUXFHM-UHFFFAOYSA-N	322.434	1.537	50	20	DDGD	
CN(CC(=O)N1CCOCC1)C(=O)C1CCC(Cl)CC1	1123627653	VXFJIQQIXVOJGW-UHFFFAOYSA-N	302.802	1.101	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1c[nH]c(C#N)c1	778901759	CDQVTIKRJYEFFF-UHFFFAOYSA-N	304.331	1.047	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)c2cccn2C)c1C1CC1	877984468	HLVPFHZFMYFRMA-UHFFFAOYSA-N	301.350	1.194	50	20	DDGD	
Cc1ccncc1[C@H](C)NC(=O)NNC(=O)CC(F)(F)F	771441094	PHHBVQVOEDOXLN-QMMMGPOBSA-N	304.272	1.734	50	20	DDGD	
Cc1cc(=NNC(=O)NCC2(C(=O)N(C)C)CCCC2)cc[nH]1	875283798	YSJWCPLTZUZHDF-UHFFFAOYSA-N	319.409	1.087	50	20	DDGD	
COC(=O)CNC(=O)NN=C(Cc1ccc(C)cc1)C1CC1	779818449	QXMWQFMMEGHXFS-UHFFFAOYSA-N	303.362	1.776	50	20	DDGD	
C[C@H]1Oc2ccc(NC(=O)NNc3ccccn3)cc2NC1=O	779011288	RCIMLXQXGBXDCT-SECBINFHSA-N	313.317	1.950	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@H]2CC23CCC3)c1	872794068	IDORUNKMZLBVRO-ZDUSSCGKSA-N	303.362	1.647	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)c1cc(C)co1	877918193	NSQZAQONQCZODK-UHFFFAOYSA-N	318.329	1.827	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2ccccc2S(C)(=O)=O)CCO1	776476886	PQJPXDUOTFOOEM-GHMZBOCLSA-N	312.391	1.348	50	20	DDGD	
CC[C@@H]1C[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)CCO1	779865864	SLWJSMUMMMYOEE-VXGBXAGGSA-N	320.345	1.382	50	20	DDGD	
Cc1ccnc(NNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1	779226365	PAOUYQPIBYYQMW-UHFFFAOYSA-N	316.273	1.784	50	20	DDGD	
C[C@H]1CC[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCCO3)C1	776298505	ZCKSAWDYOUMPFK-QWRGUYRKSA-N	304.346	1.655	50	20	DDGD	
C=C(C)[C@H](CC(=O)NNC(=O)c1ccc(C)c(O)c1)OCC	882048712	DTDIELGJUZSGLL-AWEZNQCLSA-N	306.362	1.833	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc(O)nc(CC(C)C)c1	777388242	IPSSXKUETBIQHV-UHFFFAOYSA-N	317.349	1.092	50	20	DDGD	
CN1CCC[C@H](CCNC(=O)NNc2ccc(C#N)cn2)C1	889228501	RTPMZXCCYQBNJS-GFCCVEGCSA-N	302.382	1.311	50	20	DDGD	
O=C(NN=C/C=C\c1cccc(F)c1)[C@H]1CCS(=O)(=O)C1	884408394	GQAXNFBVCUYGQB-LYINWHFJSA-N	310.350	1.376	50	20	DDGD	
Cc1nn(C)c(Cl)c1C(=O)NNc1ncncc1Cl	781830640	XLVGAWOEVAIXFR-UHFFFAOYSA-N	301.137	1.582	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@@H]1c1ccccc1)c1cccnn1	882059142	KRHLGHMPWCVVNP-KGLIPLIRSA-N	310.357	1.822	50	20	DDGD	
COC(=O)[C@@H](Cc1ccc(F)cc1)NNC(=O)c1ccccc1	783571920	KXPJKJGGTGGDAG-OAHLLOKOSA-N	316.332	1.844	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)C(=O)NC(C)C)CCS2	786039613	VSUOTTMKXFCTTQ-UHFFFAOYSA-N	321.402	1.536	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2)c(C)n1	782752258	ORBHNSMCSFKWQO-UHFFFAOYSA-N	319.321	1.503	50	20	DDGD	
CCn1nccc1NC(=O)C(=O)NNc1cc(C)ccc1C	783362331	QVVMOJGTSDMZCH-UHFFFAOYSA-N	301.350	1.602	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1cccc2c(C)ccnc12	782477849	BPKJRPDKMATHCJ-UHFFFAOYSA-N	322.390	1.398	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1[nH]nnc1-c1ccccc1	788622874	CNDDABADRJZVOR-UHFFFAOYSA-N	321.340	1.855	50	20	DDGD	
O=C(CC(F)(F)C(F)(F)F)NNC(=O)C1CCOCC1	894101068	IPMLZKJAFCWLOX-UHFFFAOYSA-N	304.215	1.148	50	20	DDGD	
C[C@@H]1Oc2ccc(NC(=O)NN=c3cc[nH]cc3)cc2NC1=O	782014915	KOOJKMVTCCVMPF-VIFPVBQESA-N	313.317	1.372	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccc(F)cc2)ccn1	789871279	ORXGLDQORRHHTN-UHFFFAOYSA-N	303.293	1.369	50	20	DDGD	
CCn1cc(/C=C(\C#N)C(=O)c2cccc3c2OCCO3)nn1	899366653	PCMOETXPLCYDNW-DHZHZOJOSA-N	310.313	1.859	50	20	DDGD	
O=C(NNc1ncc(F)cn1)C(=O)Nc1ccccc1Cl	784949530	MDNAYACZMUXMCX-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
COc1ccc([C@H](NC(C)C)C(=O)NNC(=O)C2CC2)cc1	895462440	PXXQKXCFWIJZHX-AWEZNQCLSA-N	305.378	1.292	50	20	DDGD	
C[C@@H]1CCNC(=O)[C@H]1NC(=O)[C@H](Br)C(C)(C)C	799764785	KDDBAROTIXCICX-VGMNWLOBSA-N	305.216	1.437	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@@H](CC)[C@H](C)O	790065126	JFFYCBUSAHTQQS-RYUDHWBXSA-N	324.377	1.019	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1ccc(F)c(C(N)=O)c1	792236323	JUCRLIFLUDKITQ-UHFFFAOYSA-N	303.297	1.777	50	20	DDGD	
CO[C@@H]1CCN(CC(=O)NNC(=O)c2ccc(C)cc2)[C@@H](C)C1	799343646	LMIFZWIHIHUNJX-DZGCQCFKSA-N	319.405	1.255	50	20	DDGD	
CSSCCNC(=O)CCn1cc([N+](=O)[O-])nc1C	791155725	RCRKCCMJIPQCAN-UHFFFAOYSA-N	304.397	1.617	50	20	DDGD	
CC1(C)CC(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)C1	794895526	FPADOSFOPXUNCU-UHFFFAOYSA-N	304.346	1.655	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=C1CCOC[C@@H]1C	794477516	CKVDCVRLHVAVMW-IGQOVBAYSA-N	311.426	1.260	50	20	DDGD	
Cc1noc([C@H]2CCCN2[C@@H](C)C(=O)NNC(=O)CC(C)C)n1	796696529	SJWWLSJTGGEHBO-CMPLNLGQSA-N	323.397	1.097	50	20	DDGD	
CC(C)C(CS(=O)(=O)N(C)C)=NNC(=O)CC1CCCC1	794906639	VYKFMOYWWAPXRU-UHFFFAOYSA-N	317.455	1.586	50	20	DDGD	
COC(=O)C(=O)NN=Cc1c(-c2ccccc2)nc2ccccn12	1319045279	KDKDYVZDTUDJRG-UHFFFAOYSA-N	322.324	1.624	50	20	DDGD	
Cn1c(=O)cc(C(=O)NNC(=O)c2cccnc2)c2ccccc21	1317884851	JVUAEKAFBHQAFY-UHFFFAOYSA-N	322.324	1.008	50	20	DDGD	
O=C(C[C@H]1C=CS(=O)(=O)C1)NNc1cccnc1Cl	1319519212	HXRUABVSGCNGJR-MRVPVSSYSA-N	301.755	1.127	50	20	DDGD	
N#Cc1cccc(C2(C(=O)NNC(=O)Cc3ccncc3)CC2)c1	1319521714	WDKXMRKJCDOROM-UHFFFAOYSA-N	320.352	1.375	50	20	DDGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1C=NNC(=O)CCO	1318992675	NSOCIGGCGXNZDU-UHFFFAOYSA-N	304.325	1.461	50	20	DDGD	
CCOC(=O)c1n[nH]cc1/C=C(/C#N)C(=O)[C@H]1CCCOC1	1321071826	DZOJKALDNXLITA-OYUORYAFSA-N	303.318	1.489	50	20	DDGD	
CC(C)(C)OC(=O)NC1CC(=NNC(=O)C[n+]2ccccc2)C1	1327798564	YQMOECWLVMMYRI-UHFFFAOYSA-O	319.385	1.133	50	20	DDGD	
Cc1c(C(=O)NNc2cc(Cl)nc(N)n2)ccc2cncn12	1325748817	MAISQMGQSHLBQI-UHFFFAOYSA-N	317.740	1.425	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2Cl)CCN1	1325326261	PPGHBZHTOHTKLQ-NXEZZACHSA-N	310.785	1.425	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2c[nH]c(C(=O)O)c2)CC1	1326234818	RGRAGBYFEMBOGA-UHFFFAOYSA-N	306.366	1.285	50	20	DDGD	
Cc1[nH]nc(C(F)(F)F)c1C(=O)NNc1ncncc1F	1324304186	BXJHERDQHYCLAB-UHFFFAOYSA-N	304.207	1.423	50	20	DDGD	
CCCC[C@H](CN)NC(=O)NNC(=O)c1ccc(OC)cc1	1325680206	BATHVYVQBPBYJX-GFCCVEGCSA-N	308.382	1.157	50	20	DDGD	
C[C@H](CC(=O)OC(C)(C)C)NC(=O)/C(C#N)=C\c1cnn(C)c1	1324356306	JRBCFCNHDNWKGX-NUBYWOLOSA-N	318.377	1.564	50	20	DDGD	
Cn1ccc(CCC(=O)NNc2cccc(Br)n2)n1	1324635230	HHNFXXWXWPZJOO-UHFFFAOYSA-N	324.182	1.654	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccccc1Cl)[C@@H]1CCC(=O)N1	1328756212	FSKDIWRFHYYOHX-KCJUWKMLSA-N	309.753	1.016	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1cnc(Cl)cc1Cl	1320692172	RVOKPOUGJXUKDQ-UHFFFAOYSA-N	314.150	1.328	50	20	DDGD	
CO[C@H]1CCC[C@@H]1C(=O)NNC(=O)COc1cc(C)ccc1C	1336752518	YBDVFWUMVPKLOC-KBPBESRZSA-N	320.389	1.645	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cncn2-c2ccccc2)co1	1338497598	CHXQCJNLHAMRMD-UHFFFAOYSA-N	310.313	1.849	50	20	DDGD	
CSC[C@H](C)NC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1261766134	AQBPDGGFLDEEQI-LAEOZQHASA-N	323.256	1.144	50	20	DDGD	
CS(=O)(=O)c1ccc(NNC(=O)c2cnccc2C#N)cc1	1347493672	VVIKLLDHZCSUMN-UHFFFAOYSA-N	316.342	1.114	50	20	DDGD	
O=C(N[C@H]1Cc2cnccc2NC1=O)C1CCC(Cl)CC1	1348048872	XURXFYKCVPGPHB-OCTTZUBCSA-N	307.781	1.859	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2ncoc2C2CC2)c1	1344085733	CZFBRAVCXPBJDL-UHFFFAOYSA-N	321.358	1.712	50	20	DDGD	
Nc1cccc([N+](=O)[O-])c1C(=O)NNc1ccccc1C(=O)O	1601217306	ILYXBEHPDXRAPB-UHFFFAOYSA-N	316.273	1.632	50	20	DDGD	
Cc1[nH]nc2ncc(C(=O)NNc3ccc(C(=O)O)cn3)cc12	1607499730	CCKCHIXLYLRRQL-UHFFFAOYSA-N	312.289	1.116	50	20	DDGD	
O=C(O)c1cc(C2CN(C(=O)C3CCC(Cl)CC3)C2)[nH]n1	1602252702	HLGVTEYMSSFZEH-UHFFFAOYSA-N	311.769	1.831	50	20	DDGD	
O=C(NC[C@@H]1CCCOC1)NNc1cccc(C(=O)O)c1F	1608434063	HINVTYZCRSDSSW-VIFPVBQESA-N	311.313	1.577	50	20	DDGD	
Cc1cc(CNC(=O)NNc2ccc(F)c(C(=O)O)c2)n[nH]1	1600201346	GXYAXBALEXQMJL-UHFFFAOYSA-N	307.285	1.382	50	20	DDGD	
Cc1noc(C)c1NC(=O)C(=O)NNc1cccc(C(=O)O)c1	1600809972	BZOYBNYNJZXYCP-UHFFFAOYSA-N	318.289	1.071	50	20	DDGD	
Cc1n[nH]cc1CNC(=O)NNc1ccc(C(=O)O)c(F)c1	1607939856	WTSDCSSCMUGQGK-UHFFFAOYSA-N	307.285	1.382	50	20	DDGD	
COc1cc(NNC(=O)NC[C@H]2C[C@H]2C(=O)O)ccc1Cl	1607181073	QIYCBHCRQDMUGG-VXNVDRBHSA-N	313.741	1.695	50	20	DDGD	
O=C(O)Cc1occc1C(=O)NNC(=O)Nc1ccccc1	1602155418	RPRHMXOBDODKJN-UHFFFAOYSA-N	303.274	1.373	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)c1ccc(CO)nc1	1608480649	RGBVARMQNVGBKD-UHFFFAOYSA-N	305.265	1.168	50	20	DDGD	
CC(C)Oc1ccc(C(=O)O)cc1NC(=O)NNC(=O)C(C)C	1609713614	XVQAJSGILIVSRI-UHFFFAOYSA-N	323.349	1.981	50	20	DDGD	
O=C(NN=C1CCCc2sccc21)[C@@H]1CN2CCC[C@H]2CO1	1549322388	YRRINZWDTDARCD-FZMZJTMJSA-N	319.430	1.768	50	20	DDGD	
O=C(NNC(=O)C(=O)O)N[C@H](CC1CCCC1)c1ccccc1	1610699072	FJWMRGCMVQXTGP-CYBMUJFWSA-N	319.361	1.723	50	20	DDGD	
O=C(NN=C1CCC[C@H](C(=O)O)C1)c1n[nH]c2c1CCCC2	1610699195	LQXRJSZZIQJCST-VIFPVBQESA-N	304.350	1.649	50	20	DDGD	
O=C(NN[C@H](C(=O)O)c1c(F)cccc1Cl)c1cnccn1	1610700252	MIHWTNWMZOTIFF-NSHDSACASA-N	324.699	1.329	50	20	DDGD	
C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@](C)(Cl)CCl	1800083169	QFSYUWJBNYYVSF-MIJXAVMKSA-N	317.216	1.494	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@@H]1C=NNC(=O)c1cccnn1	1552926664	NVYPFTRXTFPWFA-DGCLKSJQSA-N	314.349	1.186	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CC[C@H](N)C(F)(F)F)c1	1574179337	HXNZWSQMYMOJTH-QMMMGPOBSA-N	309.313	1.487	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H]2NCCCC2(C)C)ccc1F	1578860540	VWJBNXXSPCJOFF-CYBMUJFWSA-N	323.368	1.834	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1Cc2c(F)cc(C)cc2N1	1574942497	AEKMTVRFTQTGNR-LBPRGKRZSA-N	308.382	1.152	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)c1ccc(-c2nn[nH]n2)cc1	1582563176	ZQBVHJPRLPWVGO-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
C[C@H](S)C(=O)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846389269	WEUZALFXDKREOC-ZETCQYMHSA-N	311.234	1.312	50	20	DDGD	
N#CCSc1cccc(C(=O)NNC(=O)[C@@H]2CCCNC2)c1	1580052794	WHNQRDKXLUTRRK-GFCCVEGCSA-N	318.402	1.063	50	20	DDGD	
C/C=C(/C)C(=O)N1CC2(CCCN2C(=O)[C@H](Cl)COC)C1	1846364623	BREZUDCXROJWHS-CSXHZRMWSA-N	314.813	1.410	50	20	DDGD	
Cc1cc(C(=O)N2CC3(CCCN3C(=O)[C@H](F)Cl)C2)no1	1843362942	MXKCESXPEXOQOO-JTQLQIEISA-N	315.732	1.334	50	20	DDGD	
CC(=O)N[C@H](CC(C)C)C(=O)NNc1cccc(C(=O)O)c1C	1589165519	SFEAPXBFHMUQSN-CQSZACIVSA-N	321.377	1.687	50	20	DDGD	
C[C@@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)CCl	1847437624	HUFQUWQHWNOFFJ-VWYCJHECSA-N	318.870	1.772	50	20	DDGD	
C[C@H]1CO[C@@H](C(=O)N(c2nc(CC(=O)O)cs2)N(C)C)C1	1594586163	HMYQGZJUQLHIDV-PSASIEDQSA-N	313.379	1.005	50	20	DDGD	
C[C@@H](Oc1cccnc1)C(=O)NNc1cccc(C(=O)O)c1F	1593655630	IFCOIMKDVVWKCI-SECBINFHSA-N	319.292	1.830	50	20	DDGD	
COc1cccc(F)c1C(=O)NNc1ncccc1C(=O)O	1594130442	FMGUAJTVWBNVIK-UHFFFAOYSA-N	305.265	1.684	50	20	DDGD	
CCn1cc(NC(=O)NNc2ccc(CC(=O)O)cc2)cn1	1597896497	NKZPZLKGMBBMIZ-UHFFFAOYSA-N	303.322	1.679	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1ccoc1C(=O)O	1599716940	QYXTZOKMSYMFQI-UHFFFAOYSA-N	318.285	1.516	50	20	DDGD	
Cc1[nH]c(C#N)cc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	1591789425	USKGVLGIIPOILI-UHFFFAOYSA-N	308.305	1.132	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cccc2c1OCC2	1593165605	SYJVXDWBFKZDCZ-UHFFFAOYSA-N	322.328	1.559	50	20	DDGD	
N[C@@H]1CCC[C@@H]1C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	158051471	SXMXHVXSDJLSLY-WDEREUQCSA-N	321.768	1.961	50	20	DDGD	
COC(=O)NNC(=O)[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C	158669034	MPIXGRWLMCXMRS-LURJTMIESA-N	322.287	1.553	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2CCC[C@@H](N(C)C)C2)nc1	157639403	MRUDYTFLNDOAEX-VXGBXAGGSA-N	307.398	1.589	50	20	DDGD	
C[C@H](O)CN(Cc1ccccc1)S(=O)(=O)CCCCl	881929879	AXQHBXGUEJRSEN-LBPRGKRZSA-N	305.827	1.828	50	20	DDGD	
COc1ccc(SCC(=O)NNC(=O)c2ccccn2)cc1	7123662	URNWRMKMILEIIW-UHFFFAOYSA-N	317.370	1.644	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CC=CCC2)cc1	10849120	APXYGQBTIKLXAD-AWEZNQCLSA-N	316.357	1.656	50	20	DDGD	
Cc1ccccc1OCCCN(C)CC(=O)NNC(=O)C1CC1	112977370	AJOAAPKDXHPHEJ-UHFFFAOYSA-N	319.405	1.253	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNC(=O)CCc1ccccc1	104355095	DFTSHMIFKUMNPY-HNNXBMFYSA-N	303.406	1.641	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNc2cc(F)c(F)c(F)c2)c1	175462742	PWKGYDRALQTDOU-UHFFFAOYSA-N	309.247	1.960	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NNc1ccc(Cl)nn1	118497131	SZZWZWAHPDQSSV-BDAKNGLRSA-N	300.746	1.157	50	20	DDGD	
CNc1snc(C)c1C(=O)NNc1nc(C)cc(OC)n1	174477134	ZZWZKBVKDPJUPF-UHFFFAOYSA-N	308.367	1.357	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)Cc1ccccc1F	66784972	VQVAJGHBWPJBIA-YPMHNXCESA-N	324.352	1.100	50	20	DDGD	
O=C(CN1CCC[C@H](c2ccccc2)CC1)NNC(=O)C1CC1	112979803	AINJTHKGGWLHPM-HNNXBMFYSA-N	315.417	1.814	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)n1	181342955	YJLKCKVMUZHGBW-BIMULSAOSA-N	306.366	1.530	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cn1ccc2ccc(Cl)cc21	67464008	VRXNQVWIFKLTFV-UHFFFAOYSA-N	322.821	1.976	50	20	DDGD	
CN(C)C1(C(=O)NNC(=O)NCCc2cccs2)CCC1	119695726	AUUCKYFUXPXFJL-UHFFFAOYSA-N	310.423	1.105	50	20	DDGD	
Cc1ccccc1N1CCN(C(=O)NNC(=O)C(C)(C)C)CC1	171769723	UAFFLDOCPHNYGR-UHFFFAOYSA-N	318.421	1.904	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NC1CCCC1	31026515	GMSFXIMLKBMBNS-JTQLQIEISA-N	309.341	1.866	50	20	DDGD	
COc1ccc(SCC(=O)NNC(=O)[C@@H]2CCCO2)cc1	32258629	LFSQCIOEFRLKJV-LBPRGKRZSA-N	310.375	1.114	50	20	DDGD	
COC(=O)[C@H](O)C1CCN(/C(=C/C#N)c2ccccc2)CC1	305187954	CMBJBMBQFBOBCW-UBYXTUIOSA-N	300.358	1.797	50	20	DDGD	
CCNc1ncc(C(=O)NNC(=O)c2ccccc2OC)s1	128805593	VQKDERYDSRYURL-UHFFFAOYSA-N	320.374	1.658	50	20	DDGD	
CCCOc1cccc(CC(=O)NNC(=O)Cc2cc[nH]n2)c1	186118881	FIHVMKGYRCHUKI-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNC(=O)COCc1ccccc1	78193618	WSUWDAACJSJDGR-UHFFFAOYSA-N	317.345	1.198	50	20	DDGD	
Cc1c(Cl)cccc1NC(=O)C(=O)NNC(=O)c1ccc[nH]1	123191825	UGLCPKJOFRSQRM-UHFFFAOYSA-N	320.736	1.376	50	20	DDGD	
CS[C@@H](CO)[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(O)cc1	185862644	VZRFHGKUCBCQME-HAEZDXRRSA-N	306.387	1.528	50	20	DDGD	
COc1ccc(NNC(=O)COc2ccc(F)cc2F)nc1	187482149	OSNYHRAASFQILA-UHFFFAOYSA-N	309.272	1.891	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNC(=O)c2ccc[nH]2)cc1C	183404587	PURVIECFOJTFGU-UHFFFAOYSA-N	300.318	1.992	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNC(=O)c1cccc(OC(F)F)c1	125163641	ZTRHKIGXWHSCCN-CQSZACIVSA-N	316.304	1.600	50	20	DDGD	
N#Cc1ccc(CCC(=O)NNC(=O)NCC(F)(F)F)cc1	124631492	ZXMNALAHOMTRMM-UHFFFAOYSA-N	314.267	1.384	50	20	DDGD	
CO[C@@H](C)C(=O)NNc1ccc([N+](=O)[O-])cc1Br	189017509	DHNYQEATPXKCEP-LURJTMIESA-N	318.127	1.835	50	20	DDGD	
CC(=O)N(C)CC(=O)NNC(=O)c1cc2c(s1)CCCCC2	73521142	GKXXHCBMAYAGFW-UHFFFAOYSA-N	323.418	1.256	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNc1cccnn1)C1CCCCC1	77665745	FVQVGHQMROYJPA-CYBMUJFWSA-N	306.414	1.613	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)Cc2cccc(F)c2)c1	181126439	ZAENGUBYJOHJGF-UHFFFAOYSA-N	322.361	1.915	50	20	DDGD	
CC[C@H](C)NC(=O)CCNC(=O)/C(C#N)=C\c1ccc(O)cc1	188246466	XTEIGPSAFNSVCS-GVIGZQTCSA-N	315.373	1.720	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Cc1ccc(NC(=O)C2CC2)cc1	79583728	RTHSTEBEBFDRTL-UHFFFAOYSA-N	317.389	1.771	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccccc1N1CCCCC1	182807208	WHPHGCCIPVFDCE-UHFFFAOYSA-N	320.393	1.866	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccn(CC(F)F)n1	194079326	WRVLEVROZZDGCC-UHFFFAOYSA-N	324.287	1.232	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NC[C@@H]1C[C@H]2CC[C@@H]1C2	83205867	SRZHBSDJKFMNJQ-MJBXVCDLSA-N	302.378	1.391	50	20	DDGD	
CN1CCC(C(=O)NNC(=O)c2ccc(Cl)cc2F)CC1	82991351	QXTQKFMOXKAPII-UHFFFAOYSA-N	313.760	1.582	50	20	DDGD	
CC(C)CCO[C@@H](C)C(=O)NNc1cc(Cl)nc(N)n1	134119029	LBEMVRJTHRZYKZ-QMMMGPOBSA-N	301.778	1.607	50	20	DDGD	
COc1ncccc1NC(=O)C(=O)NNc1ccc(C)cc1	131567242	NXZNHEWKOUUFHA-UHFFFAOYSA-N	300.318	1.480	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1ccc(N(C)CCOC)nc1	191341927	OSSXIHLTCZXPQW-LCYFTJDESA-N	309.391	1.463	50	20	DDGD	
O=C(NNS(=O)(=O)CCC1CC1)c1cc2ccccc2o1	92276984	WMKNXLQLJXUTEK-UHFFFAOYSA-N	308.359	1.797	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)c2ccc[nH]2)c(C)c1	97160308	SKWJEMKKWKDOFE-UHFFFAOYSA-N	301.346	1.862	50	20	DDGD	
C[C@@H](CC(=O)O)SCC(=O)NNC(=O)c1cccs1	90097017	RAGJZSOGBJQUGY-ZETCQYMHSA-N	302.377	1.106	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cc(C#N)cc(Cl)n2)o1	93546535	GEAUWEWAHJYJIU-UHFFFAOYSA-N	320.692	1.743	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)c2c[nH]c3ccccc23)O1	268276060	ILDAHKDGMATUDM-IINYFYTJSA-N	301.346	1.887	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NNC(=O)NC(C)C	266842285	NATZKUZJIYKKNL-UHFFFAOYSA-N	301.778	1.091	50	20	DDGD	
COCCOc1ccc(C(=O)NNC(=O)OC(C)(C)C)cc1	264829817	ZEXIDUKSMQFQAS-UHFFFAOYSA-N	310.350	1.881	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)C=C3CCCCC3)nc21	269322162	SSPBDYNLVUPAHH-UHFFFAOYSA-N	302.338	1.403	50	20	DDGD	
CC[C@H](C)N(C)CCNC(=O)NNc1cccc(C(=O)OC)c1	272647690	JMOOMQRIICLQKH-LBPRGKRZSA-N	322.409	1.830	50	20	DDGD	
COc1ccc(OCC(=O)NNc2nnc(C3CC3)s2)cc1	273619421	LXMSQPJGWLIPPY-UHFFFAOYSA-N	320.374	1.946	50	20	DDGD	
C[C@@H](NC(=O)[C@H](Br)C(C)(C)C)c1nncn1C	272616886	PQVXSBRFDHOINA-SFYZADRCSA-N	303.204	1.802	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NNc2cccc([N+](=O)[O-])c2)C1	278464197	SJBQZUIPLPFDFH-SNVBAGLBSA-N	306.322	1.296	50	20	DDGD	
C#CCC1(C(=O)NNC(=O)C(=O)NC(CC)CC)CCCCC1	276580972	XVKPBKUPUTUWRO-UHFFFAOYSA-N	321.421	1.412	50	20	DDGD	
Cc1sc(CC(=O)NNC(=O)c2ccncc2)nc1C(C)C	279020169	USZNUQPEDQQUQU-UHFFFAOYSA-N	318.402	1.974	50	20	DDGD	
COC(=O)NNC(=O)[C@H](C)Oc1ccc(CCC(C)=O)cc1	274289456	MANNHVJRWIGOHN-NSHDSACASA-N	308.334	1.363	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2c(C)noc2C)c1	272526232	AITOMPDLFOLNSC-UHFFFAOYSA-N	318.333	1.904	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1cc(C2CC2)no1	282005845	YCMDRLYHUFQWIW-UHFFFAOYSA-N	319.292	1.531	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1	285776255	AMWHPVDXEXZUDM-CQSZACIVSA-N	323.368	1.910	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNc1ccc2c(O)nccc2c1	289258832	BRPUHXQEPJUOPZ-JTQLQIEISA-N	317.345	1.973	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1cnn(CCF)c1	288100449	IABSQLKQMWVDQJ-UHFFFAOYSA-N	304.329	1.667	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)NCC(F)(F)F)cc(O)n1	281324347	SWUKCALXGZYSEA-UHFFFAOYSA-N	320.271	1.417	50	20	DDGD	
O=C(NNC(=O)c1cc(O)ccc1C(F)(F)F)NC1CC1	280535100	IUDWGVFZHXUADZ-UHFFFAOYSA-N	303.240	1.517	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccnc(F)c2)cc1	802057569	VQKLNASVFXTDJL-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
Cc1sc(=O)n(CC(=O)NNc2cccc(Cl)n2)c1C	293595938	CMICAYJCHGVBBP-UHFFFAOYSA-N	312.782	1.718	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc2nc(S)oc2c1	295551970	LZQAJVKLHUMILZ-JTQLQIEISA-N	321.358	1.447	50	20	DDGD	
CC[C@H](C)[C@@H](CNC(=O)NNC(=O)c1cccc(C)n1)OC	296895391	NAMZMPMUISKXTH-GXFFZTMASA-N	308.382	1.395	50	20	DDGD	
O=C(Cn1ccc(C(F)(F)F)n1)NNc1cccc(F)n1	804771534	BRILUBFNZWDWDE-UHFFFAOYSA-N	303.219	1.579	50	20	DDGD	
COc1cnc2ccccc2c1C(=O)NNC(=O)c1ccccn1	801794623	CFKAMQVLJOMMJD-UHFFFAOYSA-N	322.324	1.713	50	20	DDGD	
O=C(NC[C@@H]1Cc2ccccc2O1)NNc1cccc(F)n1	804907651	CSKKXIJPCXQWHD-NSHDSACASA-N	302.309	1.851	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@H]1C[C@H]1OCC	298681616	GBYWRKQLFYXOQS-SMDDNHRTSA-N	322.361	1.037	50	20	DDGD	
CC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)[C@H]1CCCCO1	296170156	AINRONUVWSRUHL-LSDHHAIUSA-N	319.405	1.907	50	20	DDGD	
O=C(COc1cc(F)cc(F)c1)NNC(=O)c1ccccc1F	809950646	WSTBVFIASGDUTO-UHFFFAOYSA-N	324.258	1.944	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)[C@@H]1OC[C@@H]2COCC[C@@H]21	290308868	CTTDRYONEZLWKX-HEHGZKQESA-N	313.357	1.729	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)C(F)F)cc1OC	298313103	KNXGUUDWHGUBEA-UHFFFAOYSA-N	316.304	1.900	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H](C)C1CCCC1	807372064	ZLZGHBAOHBDUAI-LLVKDONJSA-N	300.399	1.749	50	20	DDGD	
COC[C@@H](NC(=O)NNc1ncc(F)cc1F)[C@H]1CCCO1	298200867	FOCYSSCXUFCREG-GHMZBOCLSA-N	316.308	1.180	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cccnc1N1CCCC1	295785503	TXXVABLXRVBHLC-CYBMUJFWSA-N	318.377	1.012	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H]2CCN(CCOC)C2)cc1	297388626	WFGPHEAAZVFXLZ-CQSZACIVSA-N	322.409	1.432	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@]23CC[C@@H](CC2=O)C3(C)C)n1	294859541	GENLIRGXNURELU-MGPLVRAMSA-N	318.377	1.632	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc2cc[nH]c2n1	807370448	JBHDQBGQQIXABG-UHFFFAOYSA-N	320.349	1.113	50	20	DDGD	
C[C@@H](C(=O)NNc1ncccn1)[C@@H]1OCCc2sccc21	293028184	QFAFFIAAUDVECB-SKDRFNHKSA-N	304.375	1.931	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)C(C)(C)c2ccccc2)n1	294163867	RWQRBQCKGYDUOJ-UHFFFAOYSA-N	315.377	1.345	50	20	DDGD	
C[C@@H](Cc1ccccc1F)NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	297402726	OPPSJPCYFYPUBG-MJVIPROJSA-N	323.368	1.655	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cccc([N+](=O)[O-])c1Cl	809920059	LXBCVRNCPCNZKB-UHFFFAOYSA-N	302.674	1.047	50	20	DDGD	
Cn1nncc1NNC(=O)c1cc(-c2ccccc2Cl)[nH]n1	816771215	CKGGCPWRKTZGJG-UHFFFAOYSA-N	317.740	1.616	50	20	DDGD	
COCCN1[C@H]2CC[C@H]1CC(=NNC(=O)c1cccc(C)n1)C2	814921458	NEFVMTWFXPGRJX-GJZGRUSLSA-N	316.405	1.749	50	20	DDGD	
CCOCC(=O)NN=C(C)c1ccc(N2CCCOC2=O)cc1	814841670	HXEYCXBGNNMNMD-UHFFFAOYSA-N	319.361	1.910	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCC(C)CC1)c1cnnn1C	814763540	BSUGDGUFOQZDQT-LBPRGKRZSA-N	306.414	1.023	50	20	DDGD	
C[C@H](C(=O)NN(C)C1CC1)S(=O)(=O)c1ccc(F)cc1	819646599	AQCZFIHDJDWVHF-SECBINFHSA-N	300.355	1.113	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)c1ccc2c(c1)OCO2	812447646	TWDSCRFJGJJTGE-VHSXEESVSA-N	308.334	1.095	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1ccc(OCC(F)F)cc1	814956785	DSTCPCIEUOSWRR-UHFFFAOYSA-N	308.288	1.746	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2COCCO2)c(C(F)(F)F)c1	816703534	INXRQPQIGBSGCP-NSHDSACASA-N	320.267	1.573	50	20	DDGD	
CO[C@@](C)(C=NNC(=O)c1cncc(NC(C)=O)c1)C1CC1	814883183	DAINFNPUVOBFTC-HNNXBMFYSA-N	304.350	1.571	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)Nc1cc(C2CC2)ccn1	810325304	JPZVGYLUUBKSJZ-UHFFFAOYSA-N	300.322	1.078	50	20	DDGD	
Cc1ccc(C(N)=O)cc1NC(=O)NNc1ncncc1F	814625917	KBVOXRSSAWEFDC-UHFFFAOYSA-N	304.285	1.172	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CC1CC1)c1ccc(S(C)(=O)=O)cc1	819131928	REXQZSHRECKTIG-SNVBAGLBSA-N	324.402	1.141	50	20	DDGD	
CCOCC(=O)NN[C@@H](C(=O)O)c1ccc(Cl)cc1Cl	829938718	GNXYLXFLTXELJX-LLVKDONJSA-N	321.160	1.776	50	20	DDGD	
C[C@H]1Sc2ccc(C(=O)NN(C)[C@H](C)CO)cc2NC1=O	823988396	RMZFCGPBFGISFB-RKDXNWHRSA-N	309.391	1.077	50	20	DDGD	
CC(=O)N[C@](C)(C(=O)NNc1cc(Cl)nc(C)n1)C(C)C	822967688	PPXGDSPKSWYYBF-ZDUSSCGKSA-N	313.789	1.432	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)/C=C/[C@@H]2CCOC2)cc1	493325057	RUTCHXVLZMRMPO-STWLFGJUSA-N	318.377	1.498	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCCOc1ccccc1Cl	823965881	VCYMSNOAOHVANE-LLVKDONJSA-N	300.786	1.843	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCc1nc(C(C)(C)C)n[nH]1	496995223	PNKTVUCFLPQVSL-UHFFFAOYSA-N	312.374	1.341	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCC1	496587976	PKFAAVJQBNLPDZ-NSHDSACASA-N	313.398	1.483	50	20	DDGD	
CC(C)(C)/C=C/C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	824077392	ATUPZMZGTFKLPL-SNAWJCMRSA-N	321.772	1.961	50	20	DDGD	
COc1cc(C(C)=O)cc(OC)c1OS(=O)(=O)CCl	828211682	MZBCUYCXKSKAQG-UHFFFAOYSA-N	308.739	1.811	50	20	DDGD	
O=C(CNC(=O)OCc1ccccc1)NNc1cccc(F)n1	495638873	YXBATMXWJNWSRC-UHFFFAOYSA-N	318.308	1.590	50	20	DDGD	
O=C(/C=C\[C@@H]1CCOC1)NNc1ccnc(Br)c1	493752581	JTMADZVZIPKMJT-JKERVTFKSA-N	312.167	1.880	50	20	DDGD	
C[C@@H]1C[C@H]1c1ccc(-c2nc(-c3ccc(B(O)O)cc3)no2)o1	585050582	DGHSYOFDZAEQEA-BXKDBHETSA-N	310.118	1.800	50	20	DDGD	
Cc1cc(C)n(-c2ccc(C(=O)NN(C)[C@@H](C)CO)cc2)n1	823988848	XMOKBNBEQMQGLW-ZDUSSCGKSA-N	302.378	1.447	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=C[C@@]1(C)CCCS1	496660298	NGUILJGHMSESIH-CYBMUJFWSA-N	301.412	1.899	50	20	DDGD	
Cc1cccc([C@H](C)CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	826070047	OBPZIARVLFWSGK-VNHYZAJKSA-N	319.405	1.854	50	20	DDGD	
CCN(CCO)NC(=O)[C@H](C)Cc1ccc(OC)c(OC)c1	823873513	CDNFJSRYRUXXLW-GFCCVEGCSA-N	310.394	1.228	50	20	DDGD	
CC(C)(C)[C@@H]1C[C@H](NCc2ccc(B(O)O)cc2F)CCO1	585031654	IOUADKCFISPQIS-HIFRSBDPSA-N	309.190	1.189	50	20	DDGD	
Cc1ccc([C@H](C)N(C)CC(=O)NNC(=O)C2CC2)c(C)c1	733194204	AIEROGCAUUHWRS-ZDUSSCGKSA-N	303.406	1.854	50	20	DDGD	
CC[C@H](O)[C@@H](C)C(=O)NNC(=O)c1cccc2ncccc12	900613111	IHJVRHBEDUNHSG-YGRLFVJLSA-N	301.346	1.403	50	20	DDGD	
C[C@@](C#N)(NC(=O)c1cc(B(O)O)ccc1F)C1CCCCC1	584947216	IZGGYBCIRVISAV-INIZCTEOSA-N	318.157	1.098	50	20	DDGD	
COC(=O)NN=Cc1ccccc1N(C)C1CCN(C)CC1	490634415	URVSELBVHNITLO-UHFFFAOYSA-N	304.394	1.907	50	20	DDGD	
CCCCOc1ccc(C(=O)NN(CC)CCO)cc1OC	823834210	WUPKQZKVEYROPL-UHFFFAOYSA-N	310.394	1.833	50	20	DDGD	
O=C(NN=Cc1ccc(-c2nn[nH]n2)o1)c1ccccc1F	823273165	GLZGWDHEEFBFFS-UHFFFAOYSA-N	300.253	1.363	50	20	DDGD	
CCCN(C)C[C@@H]1CCN(C(=O)/C(C#N)=C/c2cnn(C)c2)C1	491045644	FQLSYPZNRJFEAO-BRSWLGOBSA-N	315.421	1.517	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1ccnn1CC1CCC1	901232575	BQNVHPTWVMKWBN-UHFFFAOYSA-N	318.425	1.364	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CC[C@@](C(N)=O)(c2ccccc2)C1	491137181	WRVHNUJJGAVFCW-MOJYJUKOSA-N	313.357	1.086	50	20	DDGD	
CCO/C=C/C(=O)NNC(=O)CSc1ccccc1OC	493824075	OKFDXSHDSSQWRD-CMDGGOBGSA-N	310.375	1.485	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(C(=O)N(C)OC)cc1	494571256	FHYLTOFMCFBEHP-UHFFFAOYSA-N	310.310	1.103	50	20	DDGD	
Cn1c(NNC(=O)CNC(=O)OC(C)(C)C)nc2ccccc21	495750685	RAYNRPQZZWXDAU-UHFFFAOYSA-N	319.365	1.541	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@@H]1C[C@H]1C(C)C	836291819	JJOABNKVSUFQCN-AAEUAGOBSA-N	305.378	1.931	50	20	DDGD	
COC[C@@H](OC)C(=O)NNc1ccc(Br)c(C)c1	830806589	PSJQXZDYDDKZSZ-LLVKDONJSA-N	317.183	1.862	50	20	DDGD	
CCN(CC)[C@@H]1CCN(C(=O)/C(C#N)=C\c2cnn(C)c2)C1	491012769	SBZMLCIVSFCSMH-CKNOQMABSA-N	301.394	1.270	50	20	DDGD	
COC(=O)Nc1ccccc1C(=O)NNC(=O)C1CCCC1	733131984	WKCXBHIBMOGXDN-UHFFFAOYSA-N	305.334	1.816	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1CCCC(=O)N1C)c1ccccc1	906643953	YMNHAQRZDSEBHX-KBPBESRZSA-N	317.389	1.339	50	20	DDGD	
COc1cccc(C)c1C=NNC(=O)Cn1nc(C)cc1C	834929800	VDZFPFKWLSGLPR-UHFFFAOYSA-N	300.362	1.967	50	20	DDGD	
C=CCN(CCc1ccccc1)[C@H](C)C(=O)NNC(=O)CC	731850424	XPXQIADBRSFCDV-CQSZACIVSA-N	303.406	1.663	50	20	DDGD	
O=C(CCN1CCCC1=O)NNc1cc(C(F)(F)F)ccn1	832962858	MDILECLDKXUTFH-UHFFFAOYSA-N	316.283	1.556	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1OCC(=O)NNc1ccc(C(=O)O)cn1	833611116	HVBDIIAVTFNGDM-PWSUYJOCSA-N	307.350	1.818	50	20	DDGD	
COc1cccc(OCCCNC(=O)NNC(=O)C(C)C)c1	738501574	YEROPUUZURFCQD-UHFFFAOYSA-N	309.366	1.451	50	20	DDGD	
O=C1NCC[C@H]1C(=O)NNc1c(Cl)cc(F)cc1Cl	831534554	IJZLIHSPZWTZQD-ZCFIWIBFSA-N	306.124	1.712	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1ccc2nn[nH]c2c1)c1ccccc1	731200214	FZPGXQFEXFZKCT-UHFFFAOYSA-N	323.356	1.697	50	20	DDGD	
O=C(NC(C1CCC1)C1CCC1)c1cc(B(O)O)ccc1F	584989029	JGVMQMLBLPLVEQ-UHFFFAOYSA-N	305.158	1.204	50	20	DDGD	
C[C@]1(C(=O)NC[C@@H]2CCCCS2(=O)=O)C[C@H]1Br	907320860	MOJKIOJMGCBFPT-NGZCFLSTSA-N	324.240	1.243	50	20	DDGD	
C[C@@H]1CC[C@H](CNC(=O)NNC(=O)CCOc2ccccc2)O1	838746195	TVNIFYAWNAKFRX-TZMCWYRMSA-N	321.377	1.353	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)C[C@H]2C[C@H]3CC[C@H]2O3)n1	839703711	IUDXVQVHGPSMSR-JHJVBQTASA-N	319.409	1.724	50	20	DDGD	
O=C(NNc1cccc(Br)n1)C1(O)CCCCC1	837212184	OHAMUVPYZXQRSS-UHFFFAOYSA-N	314.183	1.982	50	20	DDGD	
CC[C@@H](C)OC(=O)/C(C#N)=C\c1cc(-c2nn[nH]n2)n(C)c1C	736323295	DFJVASOEXSIACB-DKBJHAQFSA-N	314.349	1.762	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cc(F)c(F)c(F)c1	831486828	ZITTYIGONFMKNS-POYBYMJQSA-N	317.267	1.682	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C#CC(C)(C)C)cc1C	837314640	GLJAGKFIHVSITE-UHFFFAOYSA-N	315.373	1.439	50	20	DDGD	
C[C@@H](CNCc1ccc(B(O)O)cc1)Sc1ccccc1	585026587	IBKVSQAZQRGWJJ-ZDUSSCGKSA-N	301.220	1.637	50	20	DDGD	
C[C@@H](Oc1cccnc1)C(=O)NNC(=S)NCC1CCC1	735521237	KNWSASFADJUJJP-SNVBAGLBSA-N	308.407	1.144	50	20	DDGD	
CN(C)C1(CNC(=O)NNC(=O)CC(F)(F)F)CCCCC1	918059346	SIAVTGZJSRTSDP-UHFFFAOYSA-N	324.347	1.534	50	20	DDGD	
Cn1cccc1C(=O)NN=Cc1cccc(OCC(=O)O)c1	733203516	NVNQCFZTTVBCPC-UHFFFAOYSA-N	301.302	1.252	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C2(C#N)CC(C)C2)ccc1F	837038962	ZWKGTBXBOILYQA-UHFFFAOYSA-N	305.309	1.995	50	20	DDGD	
CN(NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)C1CC1	911294362	AKBIYINZXBKCDG-UHFFFAOYSA-N	301.268	1.769	50	20	DDGD	
CCCCC[C@@H](O)C(=O)NNc1ccc(F)c(C(=O)OC)c1	837037666	JPPANQHMSKABIA-CYBMUJFWSA-N	312.341	1.997	50	20	DDGD	
CC1=C(C(=O)NNc2ccccc2C(=O)O)C(=O)OC1(C)C	833575419	APROBERPDNBALQ-UHFFFAOYSA-N	304.302	1.480	50	20	DDGD	
O=C(Cn1cc2ccccc2n1)NNC(=O)NC1CCCCC1	748517342	VRCCCUGINUFAMY-UHFFFAOYSA-N	315.377	1.699	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)n1	740113954	MJXFABQGRRMJNM-OLZOCXBDSA-N	315.352	1.929	50	20	DDGD	
COCCCNC(=O)NN=Cc1cccc(OCCC(=O)O)c1	746679283	CQWLONLMIJKPRT-UHFFFAOYSA-N	323.349	1.210	50	20	DDGD	
N[C@@H](CNC(=O)NNc1cccc(Br)n1)C1CC1	841965225	FIWHLMHGGMJEIQ-QMMMGPOBSA-N	314.187	1.208	50	20	DDGD	
NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	847351216	NXOMXKRDWIXNQV-SFYZADRCSA-N	312.713	1.203	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccccc1-n1cccn1	843642710	GIIWDFPDRLSXBC-VXGBXAGGSA-N	314.345	1.058	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)c2ccccc2O)cc1C1CC1	743291022	DNCYJSNKANKWOE-UHFFFAOYSA-N	300.318	1.078	50	20	DDGD	
O=C(NCCCNS(=O)(=O)CCl)c1ccc(F)cc1	747178013	CELRSZRZGKXZPH-UHFFFAOYSA-N	308.762	1.061	50	20	DDGD	
C[C@H]1CCCc2ncc(C(=O)NNC(=O)c3ccccc3F)n21	844277278	ADECUKYQVUUWMC-JTQLQIEISA-N	316.336	1.994	50	20	DDGD	
COCCN1CC[C@@H](NC(=O)NNc2ccc(F)c(F)c2)C1	919634266	HNINGEIAZJVWAG-LLVKDONJSA-N	314.336	1.312	50	20	DDGD	
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NN(C)C[C@H](C)O	910182154	GFFDGISWTCXSEM-QWRGUYRKSA-N	300.786	1.760	50	20	DDGD	
COc1ccccc1C(C)(C)CNC(=O)NNC(=O)C(C)C	745187243	CEXMQHLBNYKZDY-UHFFFAOYSA-N	307.394	1.959	50	20	DDGD	
COc1ccc2c(c1F)NC(=O)C2=NNC(=O)[C@@H]1CCO[C@@H]1C	842549097	GYJSAOXBDLSVQJ-HTQZYQBOSA-N	321.308	1.032	50	20	DDGD	
COc1cc(Cl)ccc1S(=O)(=O)NNC(=O)NC(C)C	745099846	UONFZJOVFLFCLT-UHFFFAOYSA-N	321.786	1.250	50	20	DDGD	
C/C(=C/c1ccco1)C(=O)NNC(=O)CNC(=O)OC(C)(C)C	847678084	MBGQDCYTBPUYMZ-NTMALXAHSA-N	323.349	1.355	50	20	DDGD	
O=C(O)COc1ccccc1C=NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	844613715	OITSFKRGFJTMRD-MBNYWOFBSA-N	318.329	1.168	50	20	DDGD	
CCC(CC)N(CCOC)CC(=O)NNC(=O)C(C)(C)C	744395321	VQPOPMBFRYKONX-UHFFFAOYSA-N	301.431	1.317	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNC(=O)c1cccc(N(C)C)c1	841008906	ZKSNWFSIRFGEKN-CQSZACIVSA-N	307.394	1.575	50	20	DDGD	
CC[C@H](C)C[C@H](C)NC(=O)NNC(=O)[C@@H](C)OCCOC	748636640	UMARMTLECXSQLL-SDDRHHMPSA-N	303.403	1.193	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=Cc1cccs1	916372607	RZVBHPBEDHIHQP-YNEHKIRRSA-N	309.435	1.944	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(-c2cnco2)cc1	843641886	DCHGKPIEBISMAS-GXFFZTMASA-N	315.329	1.528	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCCC(F)(F)F)cc1	845021823	CRNBEGDXFFNAMR-UHFFFAOYSA-N	319.283	1.981	50	20	DDGD	
NC(=O)C1(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])CCC1	747908019	UUTYKENJAWSUCP-UHFFFAOYSA-N	312.713	1.347	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N[C@@H](CN)CC(C)C)c1ccccc1	841955146	ZDYJUWMLMCDDHE-HUUCEWRRSA-N	320.437	1.884	50	20	DDGD	
COCCn1cc(C(=O)NNc2c(C)cccc2Cl)nn1	841439211	LJECRSDPXYGXJF-UHFFFAOYSA-N	309.757	1.643	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1cccc([N+](=O)[O-])c1	843657927	QKRAVSMQYODICZ-OUJBWJOFSA-N	321.333	1.271	50	20	DDGD	
CCCNC(=O)NNC(=O)c1c[nH]nc1-c1ccc(OC)cc1	742586637	CGYJBMBLZUGADV-UHFFFAOYSA-N	317.349	1.439	50	20	DDGD	
C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)NNC(=O)NCC1CC1	747367131	OIBQBKJSCVFDTC-MEDUHNTESA-N	305.378	1.282	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1ccn(CCn2cccn2)n1	848083503	BTIKBBWGWAJBHD-UHFFFAOYSA-N	316.192	1.656	50	20	DDGD	
CCCN(CCC)CCCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843975201	QHKGGDIWRMPXQF-UONOGXRCSA-N	313.442	1.461	50	20	DDGD	
N[C@@H]1CCC[C@H](NC(=O)NNC(=O)c2cccc(Cl)c2)C1	841981828	KORUCUXVNAHLAN-NEPJUHHUSA-N	310.785	1.554	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C(C)(C)C)nn1CC(F)(F)F	841804317	AVAIICLXMVODAF-UHFFFAOYSA-N	321.303	1.953	50	20	DDGD	
O=C(NNC(=O)[C@H](C[C@H]1CCCO1)C(F)(F)F)C1CCC1	845481685	CNBSNAIBYQLPLV-ZJUUUORDSA-N	308.300	1.682	50	20	DDGD	
O=C(CC1C2CC3CC(C2)CC1C3)NNC(=O)c1ncccn1	844584931	DYHWKPXQNYYSLK-UHFFFAOYSA-N	314.389	1.700	50	20	DDGD	
Cc1nnc(NNC(=O)c2ccc(C(F)(F)F)cn2)nc1O	844264038	BGBJUHSYQLSFQO-UHFFFAOYSA-N	314.227	1.056	50	20	DDGD	
CCC[C@H](O)CC(=O)NNC(=O)c1cccc(OC(F)F)c1	750292581	VIENMVMWXGUEAY-JTQLQIEISA-N	316.304	1.600	50	20	DDGD	
CCN(CC(=O)NNC(=O)OCC(F)(F)F)c1ccccc1	856024207	MKQQZCKQJYMQES-UHFFFAOYSA-N	319.283	1.833	50	20	DDGD	
C[C@]1(CNS(=O)(=O)C[C@H]2CCOC2)C[C@@H]1Br	856754081	BZQPDTHUTYOXRV-LPEHRKFASA-N	312.229	1.116	50	20	DDGD	
O=C(NC[C@H]1CCCCO1)NNC(=O)c1c[nH]c2ccccc12	920344078	IWDUTVIOFNHLST-LLVKDONJSA-N	316.361	1.681	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cccc2c1CCOC2	929429583	NVTKSTKXQXAMCI-UHFFFAOYSA-N	307.419	1.667	50	20	DDGD	
CCc1c(C(=O)NNC(=O)NCCc2cccs2)cnn1C	920859795	CWJNLBWJFJWTDS-UHFFFAOYSA-N	321.406	1.231	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cccnc1Br	758166535	DFWCLFKANDFAAZ-UHFFFAOYSA-N	312.167	1.795	50	20	DDGD	
Cc1cc(C)n([C@H](C)CC(=O)NNc2cc(Cl)nc(N)n2)n1	753457530	MIFSJLYOYZKKSL-SECBINFHSA-N	323.788	1.620	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2Cc3cccc(O)c3C2)o1	759459864	FSTADLNILIDJDZ-NSHDSACASA-N	315.329	1.405	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)C(C)(C)C)c1ccnn1C	853408010	HNEUJWFJIHEPDV-UHFFFAOYSA-N	307.398	1.203	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)Cc1ccc(F)cc1)n1ccnc1	920812911	AUJNXJVHATVKAN-NSHDSACASA-N	304.325	1.363	50	20	DDGD	
COc1ccc(CC(=O)NNC(=S)NCCSC)cc1	752735614	YGMYUZOQHIVBMD-UHFFFAOYSA-N	313.448	1.096	50	20	DDGD	
O=C(NNC(=O)c1ccc(O)c(Cl)c1)Nc1cccnn1	757662357	YZHWFTKGDTXZLY-UHFFFAOYSA-N	307.697	1.302	50	20	DDGD	
COC[C@H](C)OC(=O)/C(C#N)=C/c1cc(C(F)(F)F)nn1C	853000458	BJVPJQQSSBCDAY-DHFUWRPHSA-N	317.267	1.924	50	20	DDGD	
Cc1cccc(OCC(=O)NN=C2CN(C3CC3)C[C@H]2C)c1	755878722	DYAIZKUCLVFTJH-CYBMUJFWSA-N	301.390	1.960	50	20	DDGD	
CCc1noc(CC)c1CNC(=O)NNC(=O)CC(F)(F)F	756077720	JJWDEBVEEALQIU-UHFFFAOYSA-N	322.287	1.582	50	20	DDGD	
CCC[C@H]1C[C@@H](C(=O)NNC(=O)c2cccc(F)n2)CCO1	856423570	WPKOSGSZIKYZPN-QWRGUYRKSA-N	309.341	1.577	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)c1cccc([N+](=O)[O-])c1	754384642	PNFIQEBFXBSAJR-UHFFFAOYSA-N	304.237	1.204	50	20	DDGD	
O=C(CC1(O)CCCCC1)NNC(=O)c1cccc(Cl)n1	857323718	WRJVSOJUXCCFCF-UHFFFAOYSA-N	311.769	1.581	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Cc2occc2C)cc1	854212304	HQLOCZVJGWZREM-UHFFFAOYSA-N	302.330	1.665	50	20	DDGD	
CC(=NNC(=O)Cn1cnc2ccccc21)c1cc(O)cc(O)c1	753689647	QHXKOPZMFLFNAH-UHFFFAOYSA-N	324.340	1.988	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C1C2CC3CC(C2)CC1C3	750943246	GECSFFWKTJIMDU-UHFFFAOYSA-N	315.373	1.938	50	20	DDGD	
CCc1nocc1C(=O)NNC(=O)CCc1ccc(OC)cc1	854510036	DYWIFHVMZTULKQ-UHFFFAOYSA-N	317.345	1.639	50	20	DDGD	
C[C@]1(CNC(=O)c2ccoc2CC(N)=O)C[C@@H]1Br	857388393	RMUOCSQLBNVCQZ-JOYOIKCWSA-N	315.167	1.211	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccc2nnnn2c1)c1ccccc1	758224750	KDYBTPCWJJDWGW-ZDUSSCGKSA-N	324.344	1.079	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NC[C@]1(C)C[C@H]1Br	857394400	QWUSSWLYNLAMLR-MFKMUULPSA-N	319.243	1.925	50	20	DDGD	
CCCn1cc(NC(=O)NNC(=O)c2ccccc2F)cn1	756782054	LKNPOKQWPQDAKH-UHFFFAOYSA-N	305.313	1.899	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC2CCN(C(C)C)CC2)c1	858102995	JXMPEPYXVWJLES-UHFFFAOYSA-N	324.450	1.873	50	20	DDGD	
Cn1cc([C@@H](O)C(=O)OC[C@H](CBr)C2CC2)cn1	859693391	ZUZHLXJTDJWRGE-GXSJLCMTSA-N	317.183	1.418	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](C)CO[C@H]2CCOC2)cc1F	853838473	GPOQAFIKBJHHQI-AAEUAGOBSA-N	311.357	1.954	50	20	DDGD	
CCO[C@@H](CC(=O)NNC(=O)OCC(F)(F)F)C(C)C	856022271	WTQJJVOWJCGLHC-QMMMGPOBSA-N	300.277	1.757	50	20	DDGD	
C=C(C)[C@@H](CC(=O)NNC(=O)c1cccc(C#N)c1)OCC	755859262	UBWYSPDWZZYWHO-CQSZACIVSA-N	301.346	1.691	50	20	DDGD	
COCCN1C[C@@H](C(=O)NNc2ccc(C)c(F)c2)CC1=O	856231243	UFDSVQFQUKXJNB-NSHDSACASA-N	309.341	1.072	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CCNC(C)(C)C)cc1	935858235	RJJLHUSSBBRGAQ-UHFFFAOYSA-N	308.382	1.626	50	20	DDGD	
O=C(NNC(=O)[C@H](O)C1CC1)c1ccc(Br)s1	854239675	JSBAONUJRZXCDK-MRVPVSSYSA-N	319.180	1.043	50	20	DDGD	
CC(=O)Nc1ccc(NC(=O)NNC(=O)c2cc(C)[nH]n2)cc1	755495194	QRNYFUKDYGXIJH-UHFFFAOYSA-N	316.321	1.143	50	20	DDGD	
Cc1nccn1CCNC(=O)NC[C@]1(C)C[C@H]1Br	856840898	WOVMNERODTWLGD-PWSUYJOCSA-N	315.215	1.664	50	20	DDGD	
CCC(=O)N1CCN(C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	856895264	ZKTCZQBJCSKWGG-JOYOIKCWSA-N	318.215	1.381	50	20	DDGD	
COC(=O)N1CCC(C(=O)NN(C)C(=O)OC(C)(C)C)CC1	854919459	GRDFWRRPCOVLAC-UHFFFAOYSA-N	315.370	1.363	50	20	DDGD	
C[C@H]1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)CC1(C)C	759922046	LMPVPFMOJFICIV-LBPRGKRZSA-N	321.396	1.955	50	20	DDGD	
C[C@@H]1CCc2c(F)cccc2C1=NNC(=O)CS(C)(=O)=O	863189725	UOBZKHGJMOACDI-SECBINFHSA-N	312.366	1.273	50	20	DDGD	
COc1ccc2c(c1)OC[C@H]2CC(=O)NNC(=O)C1CCC1	760538474	SSBBITOBALDHMF-LLVKDONJSA-N	304.346	1.509	50	20	DDGD	
CCc1onc(C)c1NC(=O)C(=O)NNc1cccc(C)n1	861961307	YLWXSKNEBCXVOS-UHFFFAOYSA-N	303.322	1.331	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN1C1CCCC1)c1ccccc1O	862468112	CBUBQAXSORONKD-ZDUSSCGKSA-N	303.362	1.170	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccccc1F)[C@H]1CCSC1	763334513	HRVZXBWFZKPYCU-JTQLQIEISA-N	311.382	1.024	50	20	DDGD	
COC(=O)c1ccccc1CCC(=O)NN[C@H](C)C(F)(F)F	862316075	KJHIUOVSBKPFJU-SECBINFHSA-N	318.295	1.977	50	20	DDGD	
Cc1c(C(=O)NN[C@H](C)C(F)(F)F)cnn1C1CCOCC1	862315951	HVUKBZABENIMKV-SECBINFHSA-N	320.315	1.728	50	20	DDGD	
COC(=O)CCCCCS(=O)(=O)NCC(Cl)Cl	867469236	AZJYUVJATLHWGP-UHFFFAOYSA-N	306.211	1.443	50	20	DDGD	
CSCCNC(=S)NNC(=O)C1Cc2ccccc2C1	762223334	VCCFYQOZKUATRP-UHFFFAOYSA-N	309.460	1.260	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CCC1(O)CCC1	864493856	LNUHHPPJOFDWMI-NSHDSACASA-N	324.352	1.436	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21)OCC(F)(F)F	862215146	DRIVDVBWRLVRGG-GMTAPVOTSA-N	314.263	1.892	50	20	DDGD	
CC(=NNC(=O)C(=O)NC(C)C)c1nc2c(s1)CCCC2	761254898	OMSUOBGBZLKAOQ-UHFFFAOYSA-N	308.407	1.387	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cn[nH]c2)n(C(C)(C)C)n1	860483716	UAMSBSWNMUPYRU-UHFFFAOYSA-N	305.342	1.136	50	20	DDGD	
Cc1cccnc1NNC(=O)NC[C@H](C)CC1(C)OCCO1	868858562	IXLMCJXDFKKHQQ-LLVKDONJSA-N	308.382	1.805	50	20	DDGD	
CC(CCCCO)=NNC(=O)Cn1c(C)nc2ccccc21	766688620	MUCDJTMLWTXNNR-UHFFFAOYSA-N	302.378	1.999	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc2ccn(C)c2c1	869805480	FNRCRDAOKDJDNR-SNVBAGLBSA-N	317.345	1.281	50	20	DDGD	
CC1(N2CCCC2)CCC(=NNC(=O)c2ccnnc2)CC1	1119357752	XWFFAZHCMTXFEV-UHFFFAOYSA-N	301.394	1.991	50	20	DDGD	
CCO[C@@H](CC(=O)NNC(=O)c1ccc2c(c1)OCO2)C(C)C	760234730	KNBRHNWJQQASRD-ZDUSSCGKSA-N	322.361	1.628	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(F)cc2O)nc1	760786246	SDPXCTPKOKEFSP-UHFFFAOYSA-N	305.265	1.470	50	20	DDGD	
C[C@H](C(=O)NNc1ccccc1)S(=O)(=O)C1CCOCC1	767855397	STPDDLWVQKYDHM-LLVKDONJSA-N	312.391	1.112	50	20	DDGD	
COc1cccc(S(=O)(=O)NNC(=O)OC(C)(C)C)c1	764932735	SAOMCMUFVMRPSB-UHFFFAOYSA-N	302.352	1.413	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)OC[C@H]2COC(=O)O2)cc(C#N)n1C	763911195	SNQOFSSNSJZXBF-WVVNNJFASA-N	315.285	1.191	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CC[C@H](O)[C@@H]3CCCC[C@@H]32)cn1	871196227	FZEQFEKFBKHYKS-ZVGWJTCWSA-N	314.389	1.479	50	20	DDGD	
Cc1nocc1CNC(=O)NNC(=O)C(C)(C)c1ccccc1	875953828	YVFDFMXYEVVFLT-UHFFFAOYSA-N	316.361	1.791	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@](C)(C#N)CC)c1	874951633	GMQDXWXYIXGIRO-HNNXBMFYSA-N	300.387	1.925	50	20	DDGD	
CN1CCN(Cc2ccc(OCCCCl)cc2)[C@@H](CO)C1	877643588	GYQXCFQKKPRYSV-OAHLLOKOSA-N	312.841	1.803	50	20	DDGD	
O=C(CN1CCCC1)NNC(=O)c1cc2c(s1)CCCCC2	873818062	TVVQKMIWJCIEQF-UHFFFAOYSA-N	321.446	1.874	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)CC2CCCC2)c(F)c1	776131334	JWXBIGQXYLDNRQ-UHFFFAOYSA-N	322.336	1.954	50	20	DDGD	
CSc1ccccc1CC(=O)NNC(=O)Cc1cccnc1	776892464	GCPQAJIRTAKBFJ-UHFFFAOYSA-N	315.398	1.736	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=C1CCCc2ncccc21	872363012	MRXQJVYMXHCLPG-UHFFFAOYSA-N	318.377	1.763	50	20	DDGD	
CC[C@H](COC)NC(=O)NNC(=O)c1nc2ccccc2s1	872905709	XPLLVMNRTCEMNP-SECBINFHSA-N	322.390	1.665	50	20	DDGD	
COc1ccc(OC(C)(C)C(=O)NNc2ccn(C)n2)cc1	1118828361	XYZZOIIVWFNKCY-UHFFFAOYSA-N	304.350	1.729	50	20	DDGD	
Cc1cccc(NNC(=O)NCCCOC[C@H]2CCCO2)n1	875024347	UJVMIVZTTXKHHF-CYBMUJFWSA-N	308.382	1.602	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C2(CN(C)C)CC2)c1C	873757667	IABDVHPBGIYHHQ-UHFFFAOYSA-N	320.462	1.963	50	20	DDGD	
COc1ncccc1NC(=O)C(=O)NNc1ccc(C#N)cc1	773697412	PYOFKUFJCRUTIE-UHFFFAOYSA-N	311.301	1.044	50	20	DDGD	
O=C(NNC(=O)c1ncoc1[C@@H]1CCCO1)c1ccccc1O	1116078513	JKIQLUICOSMUPB-NSHDSACASA-N	317.301	1.307	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc(N2CCCCC2)o1	779823078	KDCFFCLWMKGTFS-UHFFFAOYSA-N	308.338	1.076	50	20	DDGD	
CC(=NNC(=O)c1cccc(C#N)c1)C1CCS(=O)(=O)CC1	777440796	MLWNHVXPHWDEAC-UHFFFAOYSA-N	319.386	1.489	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])c(C)c1	771890774	QGRWOEQTUHHYTM-VIFPVBQESA-N	323.305	1.006	50	20	DDGD	
O=C(NNc1ccccc1)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1	779819840	PNDCDPVAUNJORI-KGLIPLIRSA-N	312.329	1.101	50	20	DDGD	
N#CSCCCNC(=O)C[C@H](NC(N)=O)c1cccs1	773587519	XZPHPFATMLMJFL-VIFPVBQESA-N	312.420	1.568	50	20	DDGD	
O=C(NN=C1CCCc2ccc(F)cc21)C(=O)N1CCCC1	776181236	UVQLDAWRYCGOHD-UHFFFAOYSA-N	303.337	1.605	50	20	DDGD	
COc1cc(NNC(=O)N[C@@H](C)c2ncnn2C)ccc1Cl	789232953	XOXOKSFDUGJYMJ-QMMMGPOBSA-N	324.772	1.864	50	20	DDGD	
CNC(=O)c1cccc(NC(=O)NNc2ncncc2Cl)c1	782017165	ZZEMKLHOXISVRD-UHFFFAOYSA-N	320.740	1.638	50	20	DDGD	
O=C(NC[C@@H]1CC1(Cl)Cl)NNc1ncncc1Cl	780962750	SOJRTNDNYMANGA-YFKPBYRVSA-N	310.572	1.950	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNC(=O)NCc1ccc(Cl)cc1	787423972	OFHFWZWDYLKMDZ-ZDUSSCGKSA-N	324.812	1.655	50	20	DDGD	
CC[C@H]1CCCC[C@H]1OCC(=O)NNC(=O)c1cccnn1	882056709	CUYILXGHLBLEQJ-WCQYABFASA-N	306.366	1.223	50	20	DDGD	
C[C@@]1(COC(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1Br	1123039381	NKCRONZCXMOFHN-SCZZXKLOSA-N	318.127	1.508	50	20	DDGD	
O=S(=O)(CCCCl)N[C@H]1COc2cc(F)cc(F)c21	882062211	FAJHZVJDYJEERE-VIFPVBQESA-N	311.737	1.947	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1cc(Br)cs1	782222447	YYHXZHFVFHSCBI-UHFFFAOYSA-N	304.213	1.912	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ncncc2Cl)cc1	780170989	GCZAXNDSNLDTPT-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
COC(=O)NCCCC(=O)OC[C@@]1(C)C[C@H]1Br	1123141717	MNYVHCYYMCVTTM-LDYMZIIASA-N	308.172	1.839	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCCNS(=O)(=O)c1ccccc1	786665979	KINNOMNSNGJXDW-RAXLEYEMSA-N	320.370	1.368	50	20	DDGD	
Cc1ccc2c(c1)[C@H](NC(=O)NNC(=O)C1CCOCC1)CC2	883345841	LLAIXOBOTZJQMA-OAHLLOKOSA-N	317.389	1.739	50	20	DDGD	
C[C@@]1(CNC(=O)NC2CC3(CC(N)C3)C2)C[C@H]1Br	1120665065	OCRJKWGGCBMGKN-PHGMDTQPSA-N	316.243	1.729	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)ccn1	789872156	XWSGNFJYKNRIDK-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)[C@H]1C[C@]12CCOC2	788563842	TUQCDGJRSYXVFG-OTYXRUKQSA-N	317.374	1.470	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)CO1	784017378	PVXFZDJAXJNUPI-LJVYNOFUSA-N	306.406	1.775	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@H](C(=O)NNc2ccccc2[N+](=O)[O-])C1	786688056	KPEJOUSOVNNWNW-ZJUUUORDSA-N	306.322	1.330	50	20	DDGD	
CC(=NNC(=O)[C@H]1COc2ccccc2O1)[C@@]1(C)CCCO1	782113937	GCQOKPWYVYFVKA-GDBMZVCRSA-N	304.346	1.888	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCCN1C(=O)c2ccccc2C1=O	786676369	QYWGRXHHLFDKOT-FMIVXFBMSA-N	310.309	1.686	50	20	DDGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2ncnn2C)cc1	899369247	SHOOHPSXPYGPSL-KAQJVSAMSA-N	311.345	1.608	50	20	DDGD	
COc1cccc(NNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)n1	780769406	HLMDDGFFVUFJOC-JTQLQIEISA-N	306.366	1.180	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCC[C@H](N2CCOCC2)C1	394597050	KRGUGRTXNAPLLL-ZDUSSCGKSA-N	324.874	1.132	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)OCC(=O)N2C	799244776	LYYZNPCGKABXLC-VIFPVBQESA-N	320.349	1.241	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCc1cccc2c1OCCO2	899096008	ORMRLJZQVVBSON-UHFFFAOYSA-N	323.349	1.697	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)NOCC(F)F	793175035	FIRNLTBXOLUSLJ-UHFFFAOYSA-N	322.699	1.550	50	20	DDGD	
CCOc1cc(/C=C(/C#N)S(N)(=O)=O)cc(Cl)c1OC	798231096	FPHYYUBVRRZFBD-WTKPLQERSA-N	316.766	1.900	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H](C)Oc2ccc(C=O)cc2)n1	795164950	HGIRHLGBOZDDRE-JTQLQIEISA-N	316.317	1.208	50	20	DDGD	
C=C(CBr)COC(=O)CCC(=O)c1cnn(C)c1	796149930	CLNBMWGWMBFFIN-UHFFFAOYSA-N	315.167	1.877	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)c2cc3c(s2)CCC3)cn1	794612565	CUIXIEBWNJZCQP-UHFFFAOYSA-N	316.386	1.748	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1ccn(CCN(C)C)n1	792316798	KGOYJAFIPSDPJU-UHFFFAOYSA-N	303.370	1.297	50	20	DDGD	
N#C/C(=C\c1cn(-c2ccccc2)nn1)S(=O)(=O)NC1CC1	794945232	YRHTWUFQKZCLHN-RIYZIHGNSA-N	315.358	1.214	50	20	DDGD	
COc1ccc(Br)c(CN2CC[C@H](B(O)O)C2)c1	585077941	YCLNAVMGDDVNRB-JTQLQIEISA-N	313.988	1.506	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCN1Cc1ccncc1)C1CCC1	1318488247	HDAKKJFTPSZAHW-OAHLLOKOSA-N	316.405	1.384	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CN2CC3CCC2CC3)c1	1323381607	VXPGVCXXUWUHAM-UHFFFAOYSA-N	312.373	1.194	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cc(O)nc(C3CC3)c2)c1Cl	1325707198	KHCXEJFLPUNIBF-UHFFFAOYSA-N	320.740	1.447	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ncc(C#N)cc2C)cc1	1324364183	JGWHISXORKNMFY-UHFFFAOYSA-N	310.313	1.345	50	20	DDGD	
Cc1ccc2c(c1)CC[C@H]2NC(=O)NNC(=O)C1CCNCC1	1325353979	FCMMYACWNKTMQI-OAHLLOKOSA-N	316.405	1.312	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21	1325314008	UWCUGZLDMIHZTC-QKGCVVFFSA-N	320.437	1.141	50	20	DDGD	
Cc1nnc(O)c(C(=O)NNc2cc(C#N)cc(Cl)n2)c1C	1323290360	DGCCKNOMEGGFTR-UHFFFAOYSA-N	318.724	1.476	50	20	DDGD	
C[C@]1(CNC(=O)CO[C@H]2CCCNC2)C[C@@H]1Br	1328505984	OSQAUMWTJALUPK-JBLDHEPKSA-N	305.216	1.045	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccc(OCC(F)(F)F)cc1	1322285168	BDSLSTNSMNBDJO-UHFFFAOYSA-N	304.224	1.251	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NOC2CCCCC2)cc1	1321527782	QLUWQQOGPAJRAK-UHFFFAOYSA-N	307.350	1.904	50	20	DDGD	
NC1CC2(C1)CC(NC(=O)NNC(=O)CCc1ccccc1)C2	1337070114	JLYNCBKZTDVYJG-UHFFFAOYSA-N	316.405	1.220	50	20	DDGD	
Nc1cnnc(NNC(=O)Cc2ccc3c[nH]nc3c2)c1Cl	1339617989	HMIZZDFCBLDTHJ-UHFFFAOYSA-N	317.740	1.274	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](C(=O)NNC(=O)Cc2ccc(Cl)cc2)C1	1262572004	ILCDMSOVAFXKKQ-PHIMTYICSA-N	324.764	1.229	50	20	DDGD	
CC(C)CCCCCCNC(=O)NNC(=O)C1CCNCC1	1345129961	SESJSYZTKSAOEM-UHFFFAOYSA-N	312.458	1.923	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)[C@H]2CCc3nccn3C2)nn1	1347889073	LYDYIDKHPRAJOB-NSHDSACASA-N	314.393	1.676	50	20	DDGD	
O=C(CC[C@@H]1C[C@H](C(=O)O)CO1)NNc1ccc(F)cc1F	1608314106	KKWOKWWKKFPULW-WCBMZHEXSA-N	314.288	1.678	50	20	DDGD	
O=C(Cc1c[nH]c2ncccc12)NNc1cccc(C(=O)O)c1	1601352925	AKHIZQJERBDQFL-UHFFFAOYSA-N	310.313	1.947	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cc(C(=O)O)co1)c1ccccc1	1609883646	FDHIENJCUYJKEZ-LBPRGKRZSA-N	316.313	1.933	50	20	DDGD	
O=C(O)C(=O)NN=Cc1cccc(F)c1OCC(F)(F)F	1601635946	REKZXXHJHGMHJT-UHFFFAOYSA-N	308.187	1.302	50	20	DDGD	
C[C@@H](CC=NNC(=O)COc1ccccc1[N+](=O)[O-])C(=O)O	1609738279	YXVJVWRNPBRCGC-VIFPVBQESA-N	309.278	1.186	50	20	DDGD	
O=C(O)CC[C@H](NCc1ccc(B(O)O)cc1)c1ccccc1	1601972991	SMDSNJGGGUZJCG-INIZCTEOSA-N	313.162	1.062	50	20	DDGD	
O=C(O)c1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2F)on1	1608837539	TZWPAUQTPUVJPW-UHFFFAOYSA-N	310.197	1.177	50	20	DDGD	
O=C(CCn1cc(Cl)cn1)NNc1ccccc1C(=O)O	1608323916	BBHBYZSWHSFDOF-UHFFFAOYSA-N	308.725	1.768	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NC[C@H]1[C@@H](C(=O)O)C1(F)F	1601046474	ZMPHGFVUNYKLPC-MGNOMUQKSA-N	324.258	1.815	50	20	DDGD	
C[C@H](C(=O)O)C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	1602804262	GDFXOLGLNAHOLJ-LURJTMIESA-N	317.248	1.161	50	20	DDGD	
C[C@H](C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1	1549312127	APGKPATUAPKCJR-KBMXLJTQSA-N	301.390	1.755	50	20	DDGD	
CCO/C=C/C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Cl)C2	1802665256	FVLMZJAMLMNPBN-CGKMUUMWSA-N	318.776	1.709	50	20	DDGD	
Cn1cccc1C(=O)NN=C[C@H]1CCCO[C@H]1c1nccn1C	1552452412	LFFXMUCKUKCUHP-TZMCWYRMSA-N	315.377	1.642	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NN=C[C@@H]2CCCO[C@@H]2c2ccnn2C)O1	1552673093	VKJXDPIEWSOLDL-OSRDXIQISA-N	320.393	1.557	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CCCC(=O)O)cc1	1574203818	ABWRVBWJNGBGQD-UHFFFAOYSA-N	308.334	1.030	50	20	DDGD	
C[C@H]1CCc2c(C(=O)NNC(=O)[C@@H]3CCCNC3)csc2C1	1576759575	YMLJZWJWTVDPLI-WDEREUQCSA-N	321.446	1.634	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)C1=C2CCN=C2NC=C1	1580737354	POXKGQCPIRQINE-UHFFFAOYSA-N	322.324	1.410	50	20	DDGD	
N[C@@H](Cc1ccccc1)C(=O)NNc1nc2ccncc2s1	1580366187	NDYOQJSPQGETSK-NSHDSACASA-N	313.386	1.704	50	20	DDGD	
CC(C)(C)[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](F)Cl	1847526962	GMFMSBVELPKSBF-XWLWVQCSSA-N	320.792	1.130	50	20	DDGD	
CC[C@H](NC)C(=O)N1CC2(CCCN2C(=O)[C@H](Cl)CC)C1	1845164746	ZGFMNTLGFCMFQV-NEPJUHHUSA-N	315.845	1.205	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2cccc(C(=O)O)c2C)no1	1598919881	NEQMUWDYLPAZGI-UHFFFAOYSA-N	319.273	1.225	50	20	DDGD	
Cc1cccnc1NNC(=O)Cc1ccc(-c2nn[nH]n2)cc1	1592264123	OSLATONRDNPRRZ-UHFFFAOYSA-N	309.333	1.256	50	20	DDGD	
Cc1ccccc1NNC(=O)c1ncc(-c2nn[nH]n2)cc1C	1592259457	ROBSEWRFZUODDT-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
CCCCOCC(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1590608505	PEIJHMICXXYOFE-UHFFFAOYSA-N	324.772	1.780	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H]1CCC[C@@H](C(=O)O)C1	1776293738	FIWZIRQSIJMCIU-NXEZZACHSA-N	311.831	1.814	50	20	DDGD	
O=C(O)CCc1ccc(C=NNC(=O)OCC(F)(F)F)o1	1776097145	NIPCZIZCHGEASG-UHFFFAOYSA-N	308.212	1.919	50	20	DDGD	
N#C/C(=C/c1cccc(OCC(=O)O)c1)S(=O)(=O)NC1CC1	1777565713	YSPRECLSCXQDCI-QPEQYQDCSA-N	322.342	1.096	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=C1CC(C(=O)O)(c2ccccc2)C1	1776102513	ROUFMPAUSAPMJZ-LJNCCCJHSA-N	316.357	1.700	50	20	DDGD	
CCCC(=O)N1CCO[C@]2(CCN(C(=O)C(Cl)Cl)C2)C1	1783947436	UESPGZCGFPQPPF-CYBMUJFWSA-N	323.220	1.420	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)COc1ccccc1F	5273036	KFZVKPJOIKWBDT-UHFFFAOYSA-N	302.305	1.974	50	20	DDGD	
Cc1nnc(NNC(=O)c2cc(Cl)cc(Cl)c2)nc1O	11548072	LYSSAQVIQHCCDZ-UHFFFAOYSA-N	314.132	1.949	50	20	DDGD	
CCCCCC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccccn1	152004288	GULOPETYEFWBLO-GFCCVEGCSA-N	320.393	1.774	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)CCSc2nnnn2C)c1	159211994	GTOXHWLCBMBBJC-UHFFFAOYSA-N	306.395	1.452	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(NC(=O)C2CC2)nc1	159472227	WBMVXTZLBWDDCA-LUAWRHEFSA-N	300.318	1.813	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2ccc(OC(F)(F)F)cc2)CCN1	159567872	ITYSEDLDPXNTHH-QMMMGPOBSA-N	317.267	1.555	50	20	DDGD	
C=CC(=O)N1CC[C@@H](C(=O)NNC(=O)c2cccc(Cl)c2)C1	2088603488	BYAPKRYDBIEDNJ-LLVKDONJSA-N	321.764	1.136	50	20	DDGD	
COc1ccc(C)cc1NC(=O)NNC(=O)c1ccncc1	2141536	UQJHMYAMNKXFSA-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)CNC(=O)c2ccco2)cc1	4361454	CSXHSCLJVQXFDA-UHFFFAOYSA-N	315.329	1.558	50	20	DDGD	
CNS(=O)(=O)c1ccc(C)c(C(=O)NNc2ccccc2)c1	171861480	MORXYCYJGWPQLQ-UHFFFAOYSA-N	319.386	1.660	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cc1ccc(C#N)cc1)C1CC1	175551448	QUXQCEHHOORWSK-JTQLQIEISA-N	302.403	1.395	50	20	DDGD	
O=C(NNc1cnccn1)c1cc(Cl)c2c(c1)OCCO2	114881365	LWLWKHJRRLVVSO-UHFFFAOYSA-N	306.709	1.658	50	20	DDGD	
N#Cc1cccc(C(=O)NNS(=O)(=O)c2cccc(F)c2)c1	103425591	KEVBEGURXAQUPD-UHFFFAOYSA-N	319.317	1.321	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1cccnc1)n1cnc2ccccc21	170902894	KSLWKCVTKZFCET-GFCCVEGCSA-N	323.356	1.382	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccc(C(=O)N(C)CC)c1	105507821	OKPYDEDQZOBNFO-UHFFFAOYSA-N	320.418	1.073	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNC(=O)COc1cccc(C)c1	104133210	WWCJCTSIVZKRNC-OAHLLOKOSA-N	319.405	1.396	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(F)cc3cccnc23)[nH]n1	119702765	KBXVHSOAYCFKOY-UHFFFAOYSA-N	313.292	1.480	50	20	DDGD	
NS(=O)(=O)Cc1ccc(C(=O)NNc2ccc(F)cc2)cc1	172566755	YVTSDKFTQFMALS-UHFFFAOYSA-N	323.349	1.371	50	20	DDGD	
COCC[C@H](C)NC(=O)NNC(=O)Cc1ccc(Cl)cc1	101610891	VJRQYWMNWBAEFD-JTQLQIEISA-N	313.785	1.638	50	20	DDGD	
Cn1cnc(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)c1	179429735	PABPZVCCIDQEGJ-UHFFFAOYSA-N	318.724	1.880	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCc2cccs2)cn1	65200775	JFQCSLOEDOELNO-UHFFFAOYSA-N	304.375	1.638	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)c1ccccc1)c1ccco1	175749776	NFKNPEDBJFOLQL-GFCCVEGCSA-N	303.318	1.611	50	20	DDGD	
CCOC(=O)CN(C)C(=O)c1c(C)nn(CCCl)c1C	173100748	LBUNAMDLWZVBLA-UHFFFAOYSA-N	301.774	1.374	50	20	DDGD	
CC(C)OCC(=O)NNC(=O)c1ccc(Br)s1	68005227	GCDCLXHKFPZBKW-UHFFFAOYSA-N	321.196	1.697	50	20	DDGD	
O=C(NNC(=O)C1(C(F)(F)F)CCNCC1)c1ccccc1	1357777749	MYZODDBIIYHJMB-UHFFFAOYSA-N	315.295	1.380	50	20	DDGD	
CC(=O)N[C@@H](C)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	28665189	JCNZFJMZMLUSDN-JTQLQIEISA-N	305.378	1.270	50	20	DDGD	
Cc1ccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c(F)c1	175387608	SKWAIBOSBZIFQI-NSHDSACASA-N	314.382	1.240	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cnc(Cl)c(C)c1	124656248	KKPCFCJDUFKTRN-SSDOTTSWSA-N	312.757	1.175	50	20	DDGD	
N#Cc1ncn(CC(=O)NNc2cccc(Br)c2)n1	178890760	LJYWWICUOQQCNO-UHFFFAOYSA-N	321.138	1.056	50	20	DDGD	
COCCOCc1cc(C(=O)NNc2cnccn2)ccc1F	173601077	LRZXJUSYVFJXLH-UHFFFAOYSA-N	320.324	1.536	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)Cc2ccc(F)cc2)CCCO1	126565774	RRGVCMHNJMDJCI-OAHLLOKOSA-N	309.341	1.268	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1csc(-c2ccccn2)n1	65190603	ABOKBXMCGIJXMT-UHFFFAOYSA-N	305.363	1.098	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)Nc2ccon2)c1C	183492049	NDUOYZOMERBZOX-LLVKDONJSA-N	318.333	1.912	50	20	DDGD	
Cc1cc(F)cc2c(=O)c(C(=O)NNC(=O)C(C)(C)C)c[nH]c12	120191743	PXSHCMUPJUMZHA-UHFFFAOYSA-N	319.336	1.783	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2ccc(C)cc2F)nc1	124280837	JFXIWFFDYAUZMI-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
O=Cc1cccc(OCC(=O)NNc2nnc(C3CC3)s2)c1	184515978	VWLHBEOBNWGPJA-UHFFFAOYSA-N	318.358	1.750	50	20	DDGD	
Cc1cc(NNC(=O)c2cc3c(s2)CCOC3)nc(C)n1	128834452	OENXSXZQDGGCBY-UHFFFAOYSA-N	304.375	1.985	50	20	DDGD	
COc1ccc(C(=O)CCC(=O)NNc2ncc(F)cn2)cc1	123354193	IHADUQGMEJKFCR-UHFFFAOYSA-N	318.308	1.731	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)C2CC=CC2)o1	76962264	MUPQFVXCYDPOIN-UHFFFAOYSA-N	305.378	1.849	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccn(-c2ccc(F)cc2C)n1	181990836	PLVKVWKXXGWVPQ-UHFFFAOYSA-N	306.297	1.711	50	20	DDGD	
CC(=O)Nc1cccc([C@@H](C)NC(=O)NNc2cccnn2)c1	77342550	FKZBKMWBKFYJAL-SNVBAGLBSA-N	314.349	1.822	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc3[nH]c(C)cc3c2)[nH]n1	184965979	ADLIOLHADRNEFM-UHFFFAOYSA-N	312.333	1.974	50	20	DDGD	
Cc1nc(C)c(C(=O)NNc2nc3ccccc3c(=O)[nH]2)s1	137152753	SRHSEDWHWFTHJQ-UHFFFAOYSA-N	315.358	1.753	50	20	DDGD	
COc1ncccc1C(=O)NNc1ncnc2ccsc12	132562126	OCTFDUNSLNTDGT-UHFFFAOYSA-N	301.331	1.852	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1cccnc1OCC(F)F	132905586	NZDAFZPSBJNWFV-FLIBITNWSA-N	311.288	1.786	50	20	DDGD	
COc1nccnc1NNC(=O)CCCc1nc(C2CC2)no1	132166741	FNSUTDYJSRGDLF-UHFFFAOYSA-N	318.337	1.212	50	20	DDGD	
COc1ccccc1C(=O)NCC(=O)NNc1ccc(C)cc1	192650175	ZAAQYLWCAMGEPD-UHFFFAOYSA-N	313.357	1.877	50	20	DDGD	
COc1c(C)cc(S(=O)(=O)NNC(=O)c2ccc[nH]2)cc1C	192712479	FNLOXJVYAYOJCG-UHFFFAOYSA-N	323.374	1.263	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1)C1CC1	89374112	YFTSZPLAONSBMN-SECBINFHSA-N	323.780	1.150	50	20	DDGD	
COc1cccc(C)c1NC(=O)NNC(=O)c1cccn1C	195057780	FHPVACQMSXCZAN-UHFFFAOYSA-N	302.334	1.809	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)c1ccoc1	90508753	QONIYCYVODIAON-UHFFFAOYSA-N	306.343	1.842	50	20	DDGD	
CC(=NNC(=O)c1ccncc1)c1cc([N+](=O)[O-])ccc1O	254449707	RFWHZZHJARWNMD-UHFFFAOYSA-N	300.274	1.849	50	20	DDGD	
CC(C)OC(=O)[C@@H](C)CNC(=O)NNc1cccc([N+](=O)[O-])c1	266851285	ZMHCJZQZFCMBLS-JTQLQIEISA-N	324.337	1.809	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@H](C)c1ccc2c(c1)CC(=O)N2C	264085860	VONWVORFKDVGEM-ZTMOJVSCSA-N	313.357	1.827	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)c1cnn(C)c1)c1ccc(F)cc1	265366445	FYEFWUDNJXUNMX-SNVBAGLBSA-N	319.340	1.307	50	20	DDGD	
O=C(C[C@@H]1CSCCS1)NNc1ncnc2nc[nH]c12	269872700	VDZGXQRRVRLARF-SSDOTTSWSA-N	310.408	1.035	50	20	DDGD	
C=C(C)CNC(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	274976791	AIDQNAFAMOXCTJ-UHFFFAOYSA-N	323.349	1.233	50	20	DDGD	
COC(=O)c1ccc(F)c(NC(=O)NNC(=O)C(C)(C)C)c1	271417795	QIPGEIQUKKELAR-UHFFFAOYSA-N	311.313	1.811	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccccc1CCC(F)(F)F	270534371	VVSNQFLQPPSWQD-UHFFFAOYSA-N	317.311	1.504	50	20	DDGD	
COC(=O)NNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C	274278068	JALLPWKSDDFOMM-UHFFFAOYSA-N	312.238	1.121	50	20	DDGD	
C[C@@H]1CCc2c(sc3nc(CCC(=O)NN)nc(O)c23)C1	270217217	KZQIRTPOEOSMGH-SSDOTTSWSA-N	306.391	1.444	50	20	DDGD	
CCc1ccc(C(=O)N2CC=C(C#N)CC2)cc1S(C)(=O)=O	272698370	SQTCIBFTOGFVQF-UHFFFAOYSA-N	318.398	1.948	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1ccc(O[C@H]2CCOC2)cc1	278875096	DACNEHYAQVWDKC-ZDUSSCGKSA-N	315.329	1.257	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=O)OC(C)(C)C)cc1F	277524541	VKBRPXPYRZFISR-UHFFFAOYSA-N	311.313	1.954	50	20	DDGD	
C[C@@H](NC(=O)NNc1nc2ccccn2n1)[C@H]1CCCCO1	276614522	AFDJCXRYQKPHMK-GHMZBOCLSA-N	304.354	1.313	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNc1nc(C(F)(F)F)cs1	270556062	QREQLDMVVSRGEU-BYPYZUCNSA-N	312.273	1.350	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(F)cc1Cl	276118846	HLMGAGPJYCTQBL-UHFFFAOYSA-N	316.720	1.110	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@H]1CCCN1Cc1ccccn1	376208194	QYKFYJVJHIEFJH-CYBMUJFWSA-N	315.352	1.723	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NC[C@@H]1CN(C)CCN1C	282250004	GOEWNYPUHFABCM-OAHLLOKOSA-N	319.453	1.429	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cnc3n2CCCC3)nc1	372270054	KDRCAAMHJRJLCD-UHFFFAOYSA-N	315.333	1.158	50	20	DDGD	
CSSCCNS(=O)(=O)c1ccc2c(c1)CCO2	284721125	RIHVBLPWXMYSPD-UHFFFAOYSA-N	305.446	1.911	50	20	DDGD	
Cc1nc2ncnn2c(C)c1CCC(=O)NCC(Cl)Cl	289120198	QQQDFNKYTAFWHL-UHFFFAOYSA-N	316.192	1.594	50	20	DDGD	
CC(C)C(=O)N1CCCC[C@@H]1C(=O)NNc1cccc(F)n1	286557455	KJBYHYDVVSGDIL-LLVKDONJSA-N	308.357	1.701	50	20	DDGD	
Cc1onc(-c2cccnc2)c1C(=O)NNC(=O)C1CCC1	285383751	ADYQHOWORGOKPF-UHFFFAOYSA-N	300.318	1.606	50	20	DDGD	
COCc1nc(CNS(=O)(=O)CBr)cs1	290216596	VTZWFPDLYNWSDE-UHFFFAOYSA-N	315.214	1.061	50	20	DDGD	
CC(C)Oc1ncccc1C(=O)NNC(=O)[C@H]1CCCCO1	295662742	WDTQTMRVIAQWQX-GFCCVEGCSA-N	307.350	1.199	50	20	DDGD	
Cc1csc([C@H](C)CNC(=O)NNC(=O)[C@@H]2CCCO2)n1	292336103	OSDKMBCRZVYMJK-SCZZXKLOSA-N	312.395	1.064	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNC(=O)COc1cccc(C)c1	809933697	RAQADZFDUAPHCK-UHFFFAOYSA-N	322.364	1.745	50	20	DDGD	
COCCOCc1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1	290979344	PYGXKWLYUBBHIT-UHFFFAOYSA-N	317.345	1.253	50	20	DDGD	
CN1CCC(=O)Nc2cc(C(=O)NNC(=O)CC3CC3)ccc21	293998621	AJPNGLIZINKWJI-UHFFFAOYSA-N	316.361	1.026	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)C[C@H]2CCCCC2(C)C)CC1	807383205	OTQVHAAHZACYDN-CYBMUJFWSA-N	310.442	1.581	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	804767423	LXASMXHHXSRYFG-UHFFFAOYSA-N	321.224	1.794	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2ccc(CC#N)cc2)O1	292549759	FTOHXLDWTPUFCL-GWCFXTLKSA-N	302.334	1.473	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H](C)N(C)Cc2ccccc2)O1	293968517	RTPFEWPEZVKGEI-GUTXKFCHSA-N	319.405	1.222	50	20	DDGD	
CC/C=C/CNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	298466454	OODMGCVZTOANFS-YIALFULDSA-N	305.334	1.123	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)cc1[N+](=O)[O-]	802029241	JTSKGBJGLWWYRH-UHFFFAOYSA-N	315.289	1.187	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1nccn1-c1ccccc1	801759942	IJKJMBDABJJUAW-UHFFFAOYSA-N	323.316	1.129	50	20	DDGD	
CC[C@H](C)CONC(=O)NNC(=O)Cc1cn2ccccc2n1	291714633	GQVXLIARKFPNOI-NSHDSACASA-N	319.365	1.185	50	20	DDGD	
C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)NNC(=O)[C@H]1CCCCO1	297029866	JUIZOMSDUFASPI-ZLKJLUDKSA-N	319.361	1.408	50	20	DDGD	
O=C(CN1CCC[C@H]1c1cccnc1)NNC(=O)c1ccccc1	805747390	BXVMBQIUWKGSJY-INIZCTEOSA-N	324.384	1.680	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNC(=O)[C@@H]2CCCO2)ccc1C	292759174	OLGGQSCDJLQFNJ-LBPRGKRZSA-N	321.333	1.113	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc2ccccc2nc1O	295638017	TVBSCHFCTZFJFS-CYBMUJFWSA-N	315.329	1.271	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1ccc(S(C)(=O)=O)cc1	808245876	HKMAMQAKMHJUJN-UHFFFAOYSA-N	310.202	1.966	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCCC1(O)CCOCC1	804330715	BMCGAWNIOKVTQK-SNVBAGLBSA-N	322.243	1.844	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)cc1C	800323695	ZWWQZGVBCDBCOG-DVOMOZLQSA-N	320.389	1.643	50	20	DDGD	
O=C(NCc1ccc2c(c1)CCO2)NNc1ncccc1F	805045652	STYZTENTDBQDDZ-UHFFFAOYSA-N	302.309	1.982	50	20	DDGD	
Cn1nncc1NNC(=O)[C@H](OC(C)(C)C)c1ccccc1	816771903	FSBHKOVFBOUSDD-CYBMUJFWSA-N	303.366	1.815	50	20	DDGD	
Cc1cccnc1NNC(=O)NCC[C@]1(O)C[C@H]2CC[C@H]1C2	814346898	NLWPZQLKCFMSSS-XEZPLFJOSA-N	304.394	1.957	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)c2cc(Cl)ccc2O)n1C	811637249	XRXYCHLHTMDOTB-UHFFFAOYSA-N	321.768	1.609	50	20	DDGD	
COc1cnc(C(=O)NNC(=O)c2ccc(Cl)cc2F)nc1	815747214	MYPGMYZVTKYCQF-UHFFFAOYSA-N	324.699	1.353	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCC1(CC(N)=O)CC1	817788140	YORRQIABBRJVBN-UHFFFAOYSA-N	304.394	1.839	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccc(F)cc2F)n1C	815852821	KHDGSJBWHNTBLD-UHFFFAOYSA-N	309.272	1.847	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cn[nH]c2-c2cccs2)n[nH]1	812457578	OULCWBDURCIZIH-UHFFFAOYSA-N	314.374	1.863	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H]1C[C@H](c2ccccc2)OC1=O	813426280	UQJADZGWDDTJQL-NWDGAFQWSA-N	305.334	1.031	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1snc(Cl)c1Cl	816823902	JYWXMSHHQOGDRX-UHFFFAOYSA-N	319.173	1.863	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CCC(C)(C)[N+](=O)[O-]	826982405	IQNMNPGHYKYHOI-UHFFFAOYSA-N	307.350	1.520	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1	822548259	ZMTJWIIUSBVMSE-QWRGUYRKSA-N	308.363	1.166	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(C)n(-c2cnn(C)c2)c1C	823950198	GCQHBPVGEVIJIW-UHFFFAOYSA-N	318.381	1.182	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1	491100313	APAGFOSWLJDJAJ-CMPYXILNSA-N	320.393	1.035	50	20	DDGD	
O=C(NNC(=O)c1ccc2ccccc2n1)NOCC1CCC1	824022822	WHYIMCQPJSDQAG-UHFFFAOYSA-N	314.345	1.911	50	20	DDGD	
CNC(=O)CC1(CNC(=O)NNc2ncccn2)CCCCC1	823249022	VSCQFLZSVSTSGR-UHFFFAOYSA-N	320.397	1.189	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2	495623419	OJUMOKPUZYTVAU-ZETCQYMHSA-N	308.294	1.189	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(C)c(S(N)(=O)=O)c1	490753817	MDXMXYIDFGYPGP-CSKARUKUSA-N	309.347	1.025	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCCC[C@H]1c1cccn1C	827958366	TWIJNXHOGHQJSQ-AWEZNQCLSA-N	306.410	1.356	50	20	DDGD	
CCN(CCO)NC(=O)C1(c2ccc(F)cc2)CCOCC1	823852890	RCEVZVHBRRFRIV-UHFFFAOYSA-N	310.369	1.219	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)Cc2cc(C)[nH]n2)cc(Cl)n1	823368535	KGAUHRSNXKEGBP-UHFFFAOYSA-N	321.768	1.333	50	20	DDGD	
Cc1cc(NNC(=O)Cc2ccc3c(c2)CCCC3)nc(N)n1	828367219	KPIRZKCBWBYLJV-UHFFFAOYSA-N	311.389	1.932	50	20	DDGD	
CN1CC[C@H](C(=O)NNC(=O)c2c(Cl)cccc2Cl)C1	729534220	KVGWUJJLXYSCSU-QMMMGPOBSA-N	316.188	1.706	50	20	DDGD	
COc1ccccc1-c1nn(C)cc1C(=O)NN(C)[C@@H](C)CO	823951434	KLQZBJMCZDCCJT-NSHDSACASA-N	318.377	1.053	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(OC)c(N2CCOC2=O)c1	491930321	GLJFLVFUOCEWHZ-UHFFFAOYSA-N	324.293	1.044	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)/C(C#N)=C/c1cnn(C)c1	491051665	TVNXWEKWZKXMHH-HSGIOFRVSA-N	316.361	1.127	50	20	DDGD	
CSSCCNC(=O)N1CCC[C@H](n2ccnn2)C1	823584281	DFHGLUNVUNEKFU-JTQLQIEISA-N	301.441	1.636	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1c(C)nn(C(C)(C)C)c1C	732084374	CKQKIEVJZKOEFU-UHFFFAOYSA-N	318.381	1.361	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(F)cc(Br)c1F	823376347	CWAODFOAOLFXBX-UHFFFAOYSA-N	323.137	1.686	50	20	DDGD	
O=C(NC[C@H]1CCN1Cc1ccccc1)NNc1ncccn1	824165690	CGQPZXFAZJPKPF-CQSZACIVSA-N	312.377	1.377	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1O)c1cncc(O)c1	732274665	LIQRTULESGHCJI-UHFFFAOYSA-N	307.693	1.221	50	20	DDGD	
COCc1ccc(CNCc2ccc(B(O)O)cc2F)cc1F	585021799	OGJBCZUDOYTYJK-UHFFFAOYSA-N	321.132	1.081	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)c2ncon2)[C@@H]1Oc1ccccc1	901289824	MFYRYGLUZQSIAV-OLZOCXBDSA-N	316.317	1.412	50	20	DDGD	
Cc1cc(CC(=O)NN=C2CCOc3ccc(F)cc32)n[nH]1	731558669	DZTINPYEQRGASM-UHFFFAOYSA-N	302.309	1.703	50	20	DDGD	
C[C@H]1CC[C@@H](CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1	494538686	JDRCZQGWCMIDDC-WDEREUQCSA-N	313.398	1.485	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@]2(C)CC(C)=NO2)c(OC)c1	903167983	REVTYXXLTKIYSH-HNNXBMFYSA-N	321.333	1.020	50	20	DDGD	
Cc1cnc(C=NNC(=O)NCCNC(=O)OC(C)(C)C)o1	834959434	LIFCMAANXSYLGL-UHFFFAOYSA-N	311.342	1.141	50	20	DDGD	
CCOCC(C)(C)NCC(=O)NNC(=O)Cc1ccccc1C	839609852	JCDJFVOZAHYBOM-UHFFFAOYSA-N	321.421	1.090	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)CCCN1C(=O)CNC1=O	836931882	GPHXLTDFCRMRSD-UHFFFAOYSA-N	324.768	1.424	50	20	DDGD	
C[C@@](O)(CNCc1ccc(B(O)O)cc1)c1cccc(Cl)c1	585036860	QNKRNQMATVQZKA-MRXNPFEDSA-N	319.597	1.017	50	20	DDGD	
COc1cccc(NNC(=O)Nc2nc3n(n2)CCCC3)n1	836777500	ZZMKTXXIUOHTEZ-UHFFFAOYSA-N	303.326	1.167	50	20	DDGD	
COc1nc(Cl)c(C=NNC(=O)[C@@H]2CCCCO2)s1	834985778	KOPYEDBJRQEMHA-ZETCQYMHSA-N	303.771	1.824	50	20	DDGD	
CN(C(=O)c1cc(B(O)O)ccc1F)[C@@H]1CCC[C@@H]1C(C)(C)C	585001634	ZTBZCWSCYZLLNU-DZGCQCFKSA-N	321.201	1.792	50	20	DDGD	
CC(C)c1ccc(NNC(=O)C2=NN(CCO)C(=O)CC2)cc1	837052871	MCVJBTXADFPGLB-UHFFFAOYSA-N	318.377	1.224	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C(C)c2cnccn2)c1	734746315	HHSCUVIXMHSSFW-UHFFFAOYSA-N	300.318	1.648	50	20	DDGD	
C[C@@]1(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)C[C@@H]1Br	907067698	JBBPDXWMLKXNQB-CIQGVGRVSA-N	310.191	1.934	50	20	DDGD	
C=CCN(CC(=O)NNC(=O)C1CC1)Cc1ccccc1F	733194208	AUZPFZNESPOOIJ-UHFFFAOYSA-N	305.353	1.371	50	20	DDGD	
CCCSCC(C)=NNC(=O)[C@@H](C)CN1CCOCC1	901154593	DMQJUOMLJKVSJK-LBPRGKRZSA-N	301.456	1.590	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@@H]1CC[C@H]2CCC[C@@H]2C1	838495502	MPHOUIUFZQUNMK-SYQHCUMBSA-N	309.410	1.855	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNc1cc(C(F)(F)F)ccn1	839780505	UTTBRGXZEGMIFR-SECBINFHSA-N	318.299	1.691	50	20	DDGD	
CC(C)CCn1cc(C(=O)NNc2ccc(C(=O)O)cn2)nn1	833484915	ZWKXTGOIUZWLFJ-UHFFFAOYSA-N	318.337	1.174	50	20	DDGD	
CO[C@H]1CCCCC1=NNC(=O)c1cccc(-c2nn[nH]n2)c1	736964083	YZZKOMGZIBKZLH-ZDUSSCGKSA-N	314.349	1.542	50	20	DDGD	
CC(C)(C)c1nc(CNC(=O)c2ccc(B(O)O)cc2)cs1	584939619	WIHKBLQRPRQBHR-UHFFFAOYSA-N	318.207	1.050	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC2CN(C(=O)O)C2)cc1	739498158	RBDDBVXMIQCGBE-KPKJPENVSA-N	315.329	1.471	50	20	DDGD	
Cc1cccc([C@H](C)CNC(=O)NNC(=O)[C@@H]2CCCCO2)c1	836323761	JNRZFRIOUSJTGI-HIFRSBDPSA-N	319.405	1.998	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)NCCCn1cncn1	914008973	WEIMLTHEIPNDKG-UHFFFAOYSA-N	308.773	1.956	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)Cc2csc(C)n2)o1	915947121	FQTBZNTUQGXGIG-UHFFFAOYSA-N	307.331	1.524	50	20	DDGD	
COCCN(C)NC(=O)c1c(OC)ccc(SC)c1OC	837625677	CVPKYXISFDTWHF-UHFFFAOYSA-N	314.407	1.649	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1ccccn1)Cc1ccccc1	836545240	IYHKYBQAUISKGB-CQSZACIVSA-N	300.362	1.965	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC[C@]1(C)CC1(Cl)Cl	838686754	NUMHHLLVTVKQNS-SNVBAGLBSA-N	312.197	1.327	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@@H](CC1CC1)NC(=O)OC(C)(C)C	911445585	YRZAETJYGXWGOJ-ZYHUDNBSSA-N	315.414	1.024	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2cc(Cl)ccc2O)cnn1C	916157357	IHJNPWZRNZIVKY-UHFFFAOYSA-N	322.752	1.416	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cccc(OCC#N)c1	915960266	XZOZKLVEFDACCJ-UHFFFAOYSA-N	315.358	1.700	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@]2(C)CCCCO2)cc1OC	837308903	RSTRPZNQANTKLD-MRXNPFEDSA-N	322.361	1.424	50	20	DDGD	
C[C@H]1CCC[C@@H](CNC(=O)NNC(=O)N=c2cc[nH]cc2)C1	837826460	LFOZSXAWUBMMAV-NWDGAFQWSA-N	305.382	1.666	50	20	DDGD	
CC(C)(C)N1C[C@H](C(=O)NNc2cccc(C#N)c2)CC1=O	748031332	SIEOQASTCSPXDR-GFCCVEGCSA-N	300.362	1.648	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccccc1N(C)C(=O)C1CC1	910169413	DCNQZJIFVIODIE-NSHDSACASA-N	305.378	1.017	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CC(F)(F)F)[nH]c2c1C(=O)CCC2	918366413	ZJZKXHPSJMGVHC-UHFFFAOYSA-N	317.267	1.556	50	20	DDGD	
O=C(CC[C@H]1CCOC1)NNc1cc(O)nc2ncccc12	913992024	MAZXSEXBPQJVDR-JTQLQIEISA-N	302.334	1.595	50	20	DDGD	
C[C@@]1(C(=O)NC[C@H]2CC[C@H](C(N)=O)CC2)C[C@@H]1Br	911175835	JGMJQSJUVNXTQC-AVWBDOJWSA-N	317.227	1.568	50	20	DDGD	
CO[C@H](C=NNC(=O)c1ccc2c(c1)OCO2)[C@H]1CCOC1	841604489	LNGSQSAWGLFKKZ-SMDDNHRTSA-N	306.318	1.182	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)n[nH]2)o1	843974981	PUUPUBAPCBXTDI-ZJUUUORDSA-N	318.333	1.164	50	20	DDGD	
C[C@H](Cc1ccc(F)cc1)C(=O)NNC(=O)N1CCOCC1	745995760	AHLVQXFZRWPXIP-LLVKDONJSA-N	309.341	1.077	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1cccc(Cl)c1	743445761	FULWYRKVINRQFV-UHFFFAOYSA-N	320.736	1.624	50	20	DDGD	
CCCc1c(C(=O)NN(C)C[C@H](C)O)cnn1C1CCCC1	910152743	UJPWUHQFYOWEBE-LBPRGKRZSA-N	308.426	1.908	50	20	DDGD	
CC[C@H](C(=O)NNc1oc(C(C)C)nc1C#N)N1CCCC1=O	743324112	SNKQOTTXHJGILI-LLVKDONJSA-N	319.365	1.514	50	20	DDGD	
NC(=O)C(=O)NN=Cc1cn(Cc2ccccc2)c2ccccc12	916272253	HNXHUQHLTWFJJG-UHFFFAOYSA-N	320.352	1.625	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)/C=C/Sc1ccccc1	843640058	AWXKGWLMOVDMDB-GAYDMYCYSA-N	306.387	1.865	50	20	DDGD	
C[C@H]1CC[C@H](C)N1CC(=O)NNC(=O)c1cccc(Cl)n1	912506213	FUCUSXILGUDSCJ-UWVGGRQHSA-N	310.785	1.369	50	20	DDGD	
Cc1c(NNC(=O)CCCn2cncn2)cccc1[N+](=O)[O-]	748666733	RPYCQKRLPVHCFL-UHFFFAOYSA-N	304.310	1.418	50	20	DDGD	
CC(=O)N(c1ccc(F)cc1)c1nc(C=NNC(N)=O)cs1	917530504	KHLPTFNESQCWDD-UHFFFAOYSA-N	321.337	1.969	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)c1ccc(Cl)cc1O	740083166	FXDKIRFCUPLVSU-UHFFFAOYSA-N	309.709	1.671	50	20	DDGD	
CC[C@@H](N)CNC(=O)NNc1ccccc1OC(F)(F)F	842003233	AAGJKAHNKXSWPJ-MRVPVSSYSA-N	306.288	1.949	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCCOc1ccc(F)cc1F	910167913	KHNLICJYUKKJKW-JTQLQIEISA-N	302.321	1.468	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cn(C(C)C)nc2C)nc1	847615590	BYQNQTNXKJBRIK-UHFFFAOYSA-N	317.349	1.711	50	20	DDGD	
O=C(C[C@@H]1CCCOC1)NNc1ncc(Br)cn1	848321878	HMFKDNHUPOGXRF-QMMMGPOBSA-N	315.171	1.499	50	20	DDGD	
O=C(NCC[C@@H]1C[C@H]2C=C[C@H]1C2)NNC(=O)c1ccccc1O	847405506	MMSMVHYWTDIDJC-RWMBFGLXSA-N	315.373	1.939	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NC[C@H](N)C1CC1)c1ccccc1	841965171	DFAZFFGLNDACED-ZDUSSCGKSA-N	304.394	1.032	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H](C)Oc2ccc(F)cc2)n(C)n1	841612124	YXNAQNDSAKUWHV-NSHDSACASA-N	304.325	1.785	50	20	DDGD	
O=C(NCC1CCNCC1)NNc1cc(F)c(F)cc1F	841923461	HEHPOZWFPURZBG-UHFFFAOYSA-N	302.300	1.730	50	20	DDGD	
CC(=NNC(=O)Cc1ccncc1)c1ccc2c(c1)CC(=O)N2	747642353	SYGFARYNQDNZKE-UHFFFAOYSA-N	308.341	1.659	50	20	DDGD	
Cc1nnnn1-c1ccc(C(=O)NNC(=O)CC(C)(C)C)cc1	846633665	CMYSHZQJNGPXAE-UHFFFAOYSA-N	316.365	1.168	50	20	DDGD	
CCCNC(=O)NNC(=O)CCc1nc(O)c2ccccc2n1	921042986	YTJDBQKUSFSRJY-UHFFFAOYSA-N	317.349	1.008	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)[C@H]2COc3ccccc3O2)cn1	920986936	PETCZGUABNTOKG-OAHLLOKOSA-N	314.345	1.583	50	20	DDGD	
O=C1[C@@H](NS(=O)(=O)CCl)CCN1c1ccc(F)cc1	841562860	KVHYIPHDKGDCTR-JTQLQIEISA-N	306.746	1.047	50	20	DDGD	
CC[C@@H](C(=O)NN(C)C(=O)OC)N(C)C(=O)OC(C)(C)C	854409666	KGNQBTWXTMWTLS-VIFPVBQESA-N	303.359	1.361	50	20	DDGD	
C[C@]1(CNC(=O)c2cc(C(N)=O)cs2)C[C@H]1Br	857403963	VVHCWSWEVHOOAR-LDYMZIIASA-N	317.208	1.750	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2cnco2)c1	758056998	CJVZRHOCPUFDME-UHFFFAOYSA-N	317.345	1.946	50	20	DDGD	
C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NNc1ncc(Cl)cn1	856878715	ZGUMGVBLFBZPDT-GZMMTYOYSA-N	310.789	1.239	50	20	DDGD	
O=C(CCOC1CCOCC1)NNc1ncccc1[N+](=O)[O-]	759300924	HVHDBWDLQUPQBP-UHFFFAOYSA-N	310.310	1.019	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCOc2ccccc21)OCC(F)(F)F	856023874	YWDIDXJPGWDERT-SECBINFHSA-N	318.251	1.872	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](C)COCC1CCCCC1	925731185	RZFDTEYMXJYGPE-LBPRGKRZSA-N	315.414	1.339	50	20	DDGD	
Cn1nc(C(=O)NCCCSC#N)cc1Br	854367332	QHQOIUOBFCZGCK-UHFFFAOYSA-N	303.185	1.517	50	20	DDGD	
CNC(=O)[C@H]1CCC[C@H]1NC(=O)NNc1ccc(F)c(F)c1	921725571	ALNIUKDBUPAZRF-JOYOIKCWSA-N	312.320	1.506	50	20	DDGD	
Cc1nc(CCC(=O)NNC(=S)N[C@H](C)C2CC2)cs1	751620902	YYLUSIVLEGHLOL-MRVPVSSYSA-N	312.464	1.678	50	20	DDGD	
NC(=O)c1csc(C=NNC(=O)Cc2ccccc2F)c1	755892975	FFRCOMSOMIMKNA-UHFFFAOYSA-N	305.334	1.679	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2c(C)nn(C)c2C)c1C	855627856	FPIJQTPYJJTVKJ-UHFFFAOYSA-N	316.361	1.889	50	20	DDGD	
CC[C@H](Cc1ccccc1C)C(=O)NNC(=O)c1cc[nH]n1	855355238	TWIPDIJKBPAYPI-GFCCVEGCSA-N	300.362	1.748	50	20	DDGD	
COCC(=O)NN=Cc1cn(-c2ccc(Cl)cc2)nc1C	755772574	JTEZOIJBYWEVET-UHFFFAOYSA-N	306.753	1.931	50	20	DDGD	
CCC(CC)(C(=O)NN(C)C(=S)NC)C(=O)OC(C)(C)C	854927558	LRONPOLUFPITBH-UHFFFAOYSA-N	317.455	1.602	50	20	DDGD	
CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)NNC(=O)CC(C)C	852691983	NXCYNURBMAIWEK-IAQYHMDHSA-N	313.398	1.485	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNc2ncccc2[N+](=O)[O-])cc1	920957563	SGRHFDGZUIQABV-UHFFFAOYSA-N	313.273	1.384	50	20	DDGD	
O=C(NN=CC1=Cc2ccccc2OC1)C(=O)Nc1ccccn1	758388344	ZTOFDERTJFWXPV-UHFFFAOYSA-N	322.324	1.598	50	20	DDGD	
CCO[C@@H]1COCC[C@@H]1NC(=O)NNc1ccc(F)c(F)c1	921958529	ZVICGUHKMNFLLR-QWHCGFSZSA-N	315.320	1.785	50	20	DDGD	
Cc1ccc(NNC(=O)C[C@@H]2CCCS(=O)(=O)C2)cc1F	856226063	STBHYKDRZRRWPH-NSHDSACASA-N	314.382	1.792	50	20	DDGD	
O=C(CCn1ccnn1)OC[C@H](CBr)C1CC1	859488599	SUWOWXWKDWQXLF-JTQLQIEISA-N	302.172	1.633	50	20	DDGD	
CNC(=S)N(C)NC(=O)Cc1ccccc1OC(F)F	854924393	VNHRQRUMOMPJDK-UHFFFAOYSA-N	303.334	1.298	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@H](CC#N)C2)c1	852319964	UEDNGNQMHMXRFY-CQSZACIVSA-N	314.389	1.382	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cccc([C@H](C)N2CCOCC2)c1	756425243	YPQQFRRVXNONKG-LBPRGKRZSA-N	320.393	1.643	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cccc(C#N)c2)nnc1C	756585813	ZATAFRKFNMRWCK-UHFFFAOYSA-N	310.317	1.432	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@H]1C1CCOCC1)C1CCCC1	753339775	MQXSVPRXAMBSTI-AWEZNQCLSA-N	309.410	1.808	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)CCc2ccccc2)[C@@H]1C	859004431	DHDQJCMGUGKYAF-IATRGZMQSA-N	304.390	1.826	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cn3ccccc3n2)nc1	759734896	ZFSIUXFSRPXKCU-UHFFFAOYSA-N	311.301	1.273	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Nc1c(C)noc1C	756287876	YFBNQTSYFNPJAF-UHFFFAOYSA-N	304.306	1.767	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCCCc1ccc2c(c1)OCCO2	758414903	FOIWTZSPUMWFIU-OWBHPGMISA-N	316.357	1.951	50	20	DDGD	
Cc1noc(CN(C)C(=O)NC[C@]2(C)C[C@@H]2Br)n1	856960031	LERDJSJRTHYZDI-KWQFWETISA-N	317.187	1.693	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H](c1ccc(Cl)cc1)N(C)C	854927466	JJFLSLODYFSDFF-LLVKDONJSA-N	314.842	1.410	50	20	DDGD	
Cc1cccc2oc(C(=O)NNC(=O)N3CCN(C)CC3)cc12	935859945	DAZSDMCOHWAWPW-UHFFFAOYSA-N	316.361	1.343	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1coc(-c2cccnc2)n1	857116137	WRQOWEYMAPVDJG-UHFFFAOYSA-N	302.334	1.934	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C=NNC(=O)c1ccccn1	853254746	FHDOFXBGNKKWTN-SWLSCSKDSA-N	313.361	1.699	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)c1cccc(C2CC2)c1	858496196	PJTIFEPVFNQRTC-SNVBAGLBSA-N	313.361	1.992	50	20	DDGD	
COC(=O)CCC(C)=NNC(=O)Cn1c(C)nc2ccccc21	756877178	PZNLJYBCLOBVRA-UHFFFAOYSA-N	316.361	1.790	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)Cn1cc([N+](=O)[O-])cn1	751169173	DPQDHCZFFBFVSK-UHFFFAOYSA-N	322.233	1.314	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(-c2ccc(F)cc2)n(C)n1	930791173	IIRITHJLBXVHNC-UHFFFAOYSA-N	319.340	1.580	50	20	DDGD	
C[C@H](CCO)CCNC(=O)NC[C@@]1(C)C[C@H]1Br	856957743	HGMWHHXFXZHVAW-HOSYDEDBSA-N	307.232	1.868	50	20	DDGD	
CC[C@H](C(=O)NNC(=S)N[C@@H](C)COC)c1ccccc1	853395526	AKKPOYGOEZMSND-AAEUAGOBSA-N	309.435	1.710	50	20	DDGD	
CN(CCNC(=O)/C(C#N)=C/c1ccc(O)cc1)CC(F)F	863810765	VLDYRNNRTJOZKK-XYOKQWHBSA-N	309.316	1.612	50	20	DDGD	
CCOC(C)(C)C(=O)NNc1ccc(S(C)(=O)=O)cc1	866869663	LXBFRGGXTUFDCU-UHFFFAOYSA-N	300.380	1.348	50	20	DDGD	
O=C(CCNC(=O)c1ccc(F)cc1)NNc1ncc(F)cn1	760929969	XQLAJRPWMHWHSC-UHFFFAOYSA-N	321.287	1.018	50	20	DDGD	
Cc1cc(CCCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(C)s1	862457048	ZPRDPNNRASOLTL-LBPRGKRZSA-N	323.418	1.114	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCSC1)c1cc(Br)c[nH]1	761836808	RUWPJYHIXCNFFD-LURJTMIESA-N	318.196	1.291	50	20	DDGD	
C[C@H](NNC(=O)c1ccc(S(C)(=O)=O)s1)C(F)(F)F	862322056	DMWUJJJJDJMFGS-YFKPBYRVSA-N	316.326	1.337	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H]2C[C@@H](CO)C2)cc1	869875377	RGUBBTMOJCLPFG-ZKYXNYDBSA-N	300.358	1.879	50	20	DDGD	
CN1C(=O)COc2ccc(C(=O)NNC(=O)CC(C)(C)C)cc21	863866652	KGXYZLWIHYAXQL-UHFFFAOYSA-N	319.361	1.239	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1C[C@H](c2ccccc2)OC1=O)C(F)(F)F	862319435	FBIKVAFGBMJPFH-INTQDDNPSA-N	316.279	1.862	50	20	DDGD	
CC[C@@H](C)C(=O)NN=C(CNS(C)(=O)=O)c1ccccc1	766696388	SEGPQTFNSIWVST-LLVKDONJSA-N	311.407	1.102	50	20	DDGD	
COC1(C(=O)N(C)NC(=O)OCc2ccccc2)CCOCC1	862288047	CIHOADZBGRXYJU-UHFFFAOYSA-N	322.361	1.482	50	20	DDGD	
COc1cc2ccccc2cc1C(=O)NNC(=O)C(C)(C)O	768244801	NIUODGLVXUWNME-UHFFFAOYSA-N	302.330	1.380	50	20	DDGD	
COC(=O)c1cnn(CC(=O)NNc2c(C)cc(C)cc2C)c1	860318287	SGIGMWJQLDHGBN-UHFFFAOYSA-N	316.361	1.738	50	20	DDGD	
CC(=O)Nc1ccc(OS(=O)(=O)CBr)cc1	769935644	SPRJHBIHEJODHG-UHFFFAOYSA-N	308.153	1.706	50	20	DDGD	
CC(C)[C@H]1C(=O)NCCN1C(=O)[C@H](Br)C(C)(C)C	767943746	QGURWHBMXUMGSF-UWVGGRQHSA-N	319.243	1.779	50	20	DDGD	
CN(NC(=O)CCCOC1CCOCC1)C(=O)OC(C)(C)C	868856108	AIVYAMGQYXDZCP-UHFFFAOYSA-N	316.398	1.860	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)OCCN2CCOCC2)cc1	866062778	VKLDESQINMCYIK-QINSGFPZSA-N	316.357	1.478	50	20	DDGD	
CCCC1(C(=O)NNC(=O)c2nnc(O)c3ccccc23)CC1	760275261	KISRTPLGXLHVRA-UHFFFAOYSA-N	314.345	1.677	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1C[C@@H](c2ccccc2)OC1=O)C(F)(F)F	862319437	FBIKVAFGBMJPFH-LSJOCFKGSA-N	316.279	1.862	50	20	DDGD	
COCC(=O)NNC(=O)Nc1c(C)nn(-c2ccccc2)c1C	761862538	XKDWYGDSTJSRGG-UHFFFAOYSA-N	317.349	1.288	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc[nH]1	862509189	GZYFLNCPLMCSTD-ZDUSSCGKSA-N	322.409	1.804	50	20	DDGD	
CC1=C(C(=O)NNc2cc(C#N)cc(Cl)n2)C(=O)OC1(C)C	768716282	YRFCCIDNTKFZCE-UHFFFAOYSA-N	320.736	1.702	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CN2CCCC2)cc1C	873763176	PBWJZNPFHSJHSP-UHFFFAOYSA-N	306.435	1.717	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1csc(Br)n1	874062814	XCJYEAUWPAOUER-UHFFFAOYSA-N	306.185	1.713	50	20	DDGD	
O=C(COC/C=C/c1ccccc1)NNC(=O)c1ccccn1	763108426	OEGOMHRYWWAMNZ-RMKNXTFCSA-N	311.341	1.573	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=C2CCO[C@@H](C)C2)n1	773185824	GOWQUJDFNZZKGD-NSHDSACASA-N	308.407	1.857	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@@H](CC)c1ccccc1OC	775075966	HWBGENDZNQOHJS-YPMHNXCESA-N	307.394	1.682	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc2c(c1)NC(=O)CS2	878091213	YPNULUWUUUGWKO-UHFFFAOYSA-N	310.335	1.466	50	20	DDGD	
CC[C@@H](CO)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	772996210	GVAIIKUSHUSJRS-ZJUUUORDSA-N	314.769	1.273	50	20	DDGD	
N#CCSCC(=O)NNc1ccnc(Br)c1	771547509	POFQOOXLUJBESL-UHFFFAOYSA-N	301.169	1.544	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1c[nH]c2cccc(C#N)c12	872355326	STNZDQJAGVUKQF-LLVKDONJSA-N	314.345	1.541	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)Cc2ccccc21	873051837	IBVLSNXSIBEIDA-TYNCELHUSA-N	317.389	1.772	50	20	DDGD	
C#CCCCCCC(=O)NNC(=O)COc1ccc(F)cc1	779866288	VLHADJSDOOLCBK-UHFFFAOYSA-N	306.337	1.936	50	20	DDGD	
Cc1nscc1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	772261174	XZNSLQIUXSCYFO-VIFPVBQESA-N	313.379	1.190	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCCCCCN)cc1	1118135641	KRLVNDJWYGCWCD-UHFFFAOYSA-N	308.382	1.158	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNc2nncc(N)c2Cl)cn1	1116300038	ORVWPFDTONDCDA-UHFFFAOYSA-N	309.761	1.421	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2(F)CCCC2)cc1C	773765860	CDBBOAMBHQYXTJ-UHFFFAOYSA-N	321.352	1.672	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1nc2cc(C)ccc2n1C	875563769	REHBHHYEONFXBH-UHFFFAOYSA-N	305.338	1.294	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@@H](C)c1c(C)n[nH]c1C	772214070	WQAXSLBRRJCXLO-KCJUWKMLSA-N	324.381	1.009	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccncc2)nn1[C@H](C)C1CC1	777274587	MCOPLDDLHCHJGD-LLVKDONJSA-N	313.361	1.632	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H]1CC[C@H](C)C1	776337838	AOYDYUYOYVNJCI-JQWIXIFHSA-N	300.362	1.840	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(OC(F)F)c(F)c1	887149322	RICFWZQWYKQZOB-UHFFFAOYSA-N	314.263	1.992	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)[C@]12CCC(=O)N1CCS2	771688518	CTQQVEAYAMMECG-CQSZACIVSA-N	309.366	1.643	50	20	DDGD	
Cc1ccc(C[C@H](CO)NS(=O)(=O)CCCCl)cc1	882111878	JGQALCPTJOBKPR-CYBMUJFWSA-N	305.827	1.447	50	20	DDGD	
CC(C)[C@]1(C)C[C@H]1C(=O)OCC(=O)NNC(=O)c1cccs1	775077670	OHJOKJHXLSFWKP-BONVTDFDSA-N	324.402	1.735	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN[C@H]2CCCC[C@H]2C)c1	771793234	KERCETCMSCVXKN-HIFRSBDPSA-N	303.406	1.924	50	20	DDGD	
O=C(NC[C@H]1CCCCC1(F)F)NNC(=O)C1CCOCC1	883670202	CAZYEGONBPUUHT-LLVKDONJSA-N	319.352	1.569	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc([N+](=O)[O-])cc2O)n1	773231230	BSDOMQIBYWALII-UHFFFAOYSA-N	319.277	1.164	50	20	DDGD	
Cc1ccc2cc(C=NNC(=O)CN3CCCC3=O)ccc2n1	783509468	NYPBFYFWQJKCAM-UHFFFAOYSA-N	310.357	1.616	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=C[C@@H]1CCSC1	782170246	FNZVZQFOSHUCOO-DGAVXFQQSA-N	313.467	1.587	50	20	DDGD	
Cc1nscc1C(=O)NNC(=O)COc1ccccc1F	781237768	LSAWBMMSZBXBDU-UHFFFAOYSA-N	309.322	1.431	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(C3CC3)n(C)n2)cc1O	882049692	ZTCYRYJVVUXRCJ-UHFFFAOYSA-N	314.345	1.386	50	20	DDGD	
CC(C)c1cc(NC(=O)C(=O)NNc2cccnc2Cl)no1	784839439	VPGAJJBRLFCNBS-UHFFFAOYSA-N	323.740	1.928	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1cc(C)cc(Br)c1	780365016	IOGJIWKNHDTRCA-UHFFFAOYSA-N	321.196	1.477	50	20	DDGD	
COc1ccc(F)c(C(=O)NNc2ncc(F)cn2)c1OC	788521227	NUFIKPXBQQJZMV-UHFFFAOYSA-N	310.260	1.529	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1cc(Cl)ccn1	788177853	MRPBBZDDYDAINZ-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
Cc1coc(C)c1C(=O)NNc1nc2ccccc2c(=O)n1C	786169068	UMDOPNACFONDBA-UHFFFAOYSA-N	312.329	1.900	50	20	DDGD	
Cn1nc([C@@H]2CCCO2)cc1NC(=O)NNc1ncccn1	788719240	HCUXHFPJRBEEIP-JTQLQIEISA-N	303.326	1.210	50	20	DDGD	
C[C@H]1Cc2cc(/C=C(/C#N)S(=O)(=O)NC3CC3)ccc2O1	899368249	GMSALONXENSKSK-WULZRQGASA-N	304.371	1.956	50	20	DDGD	
O=C(CCCc1nc(C2CC2)no1)NNc1ncncc1Cl	781836112	JIKREIYUNIRRMI-UHFFFAOYSA-N	322.756	1.856	50	20	DDGD	
CC[C@H](O)[C@@H](C)C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	899947959	AWZDZXJMWVPOHG-RDBSUJKOSA-N	322.405	1.625	50	20	DDGD	
CN(NC(=O)c1cnc2ncc(Br)cc2c1)C(N)=O	780978058	RLCFSCDLKLPXHQ-UHFFFAOYSA-N	324.138	1.048	50	20	DDGD	
NC[C@H]1CC[C@H](NC(=O)NNC(=O)c2ccc(Cl)cc2)CC1	892451855	DWFXYAFKWDOWGH-MJHDQNEOSA-N	324.812	1.802	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2ccnc(Br)c2)CO1	784529073	SCKKCORDKZDCFJ-SFYZADRCSA-N	300.156	1.712	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCC[C@H](C(F)(F)F)C1	783508825	FFPWFHINYQJBJC-VIFPVBQESA-N	305.300	1.834	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cccc(C#N)c2C)cc1	783036271	SFPJIOTZBKRLPJ-UHFFFAOYSA-N	324.340	1.957	50	20	DDGD	
CN1CCC(n2ccc(NC(=O)NNC(=O)C(C)(C)C)n2)CC1	786699958	HRZDTHXDQYSMEH-UHFFFAOYSA-N	322.413	1.349	50	20	DDGD	
O=C(CN(C1CCC1)C1CCC1)NNC(=O)c1cccs1	795454403	SSIDQQXJQQVEJQ-UHFFFAOYSA-N	307.419	1.916	50	20	DDGD	
Cc1cccnc1NNC(=O)CNC(=O)c1cccc(Cl)c1	791222209	DNZIUWRMCLHXOT-UHFFFAOYSA-N	318.764	1.917	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1nc(Br)ccc1F	792014889	PIHXIWBQCWFWTE-UHFFFAOYSA-N	302.103	1.154	50	20	DDGD	
COc1nccnc1NNC(=O)C(C)(C)C1CCC(O)CC1	791225292	INMFXMGSNBQWTB-UHFFFAOYSA-N	308.382	1.506	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)Cc1ccccc1)c1ccccc1F	792790369	UMIYRCPEOJCUFI-AWEZNQCLSA-N	302.305	1.190	50	20	DDGD	
CCOC(=O)c1scnc1/C=C(/C#N)S(=O)(=O)N(C)C	794958875	SYRQNSSHVWZVAB-YVMONPNESA-N	315.376	1.076	50	20	DDGD	
CCNC(=O)NNC(=O)CCCC(=O)c1cccc(OC)c1	794247410	QMUVFUPZRZVMEN-UHFFFAOYSA-N	307.350	1.399	50	20	DDGD	
COC1(CC(=O)NNC(=O)c2cc3c(s2)CCC3)CCC1	790117185	WOXKLYHVHGJQNX-UHFFFAOYSA-N	308.403	1.957	50	20	DDGD	
COCCC1(C=NNC(=O)N2CCN(C)CC2)CCCCC1	790174391	NIEDEDXVHQTXHL-UHFFFAOYSA-N	310.442	1.916	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)c(F)c1	1319090672	QILYPGNAPTUAHP-UHFFFAOYSA-N	316.336	1.811	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccc(C)cc2O)ccn1	1317980853	PTZNQSGYCFCICJ-UHFFFAOYSA-N	301.302	1.179	50	20	DDGD	
COCC(=O)NCCC(=O)NNc1ccc(Cl)cc1Cl	1319589690	CEHYVPXTLXQFPD-UHFFFAOYSA-N	320.176	1.589	50	20	DDGD	
Cn1cc(C(=O)NNc2nccnc2Cl)c(C(F)(F)F)n1	1318503112	YUPBKIGVCXQQNN-UHFFFAOYSA-N	320.662	1.639	50	20	DDGD	
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)CCl	1323268455	AXFSZZYFERLTSN-UHFFFAOYSA-N	311.769	1.671	50	20	DDGD	
CC(C)CC1(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CCC1	1326003758	AVXUCACMNFJWPQ-CHWSQXEVSA-N	311.426	1.958	50	20	DDGD	
Nc1cnnc(NNC(=O)NCc2ccc(F)cn2)c1Cl	1324022047	VKUUZBDFOUEPMO-UHFFFAOYSA-N	311.708	1.073	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccn1)[C@@]1(O)CCSC1	1324791584	JETKSWLAYULTCR-SNVBAGLBSA-N	307.297	1.412	50	20	DDGD	
Cc1nnc(CNC(=O)NC[C@]2(C)C[C@H]2Br)n1C	1334646221	CJCSVJSFFZERMK-KCJUWKMLSA-N	316.203	1.096	50	20	DDGD	
Cn1nc2ccccc2c1C(=O)NNC(=O)NCC(F)(F)F	1256497566	YCQVSLMYOWMPAK-UHFFFAOYSA-N	315.255	1.080	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=C1CCOc2c(F)cccc21	1251316112	KOGDIQUKJXHLOF-UHFFFAOYSA-O	300.313	1.416	50	20	DDGD	
CC1(C)CN(C(=O)C(=O)NC[C@]2(C)C[C@H]2Br)C1	1331101717	PDZMYCUWKMRWIV-PELKAZGASA-N	303.200	1.145	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccnn2C2CCC2)cc1	1262702582	AMEONAVNSRIXPU-UHFFFAOYSA-N	313.361	1.998	50	20	DDGD	
CN(C)C(=O)[C@@H]1CCCN(C(=O)[C@@]2(C)C[C@@H]2Br)C1	1347346385	UPBLQSGPWSDUHG-NRUUGDAUSA-N	317.227	1.487	50	20	DDGD	
COCCCn1cc(C(=O)NNc2cc(Cl)ccn2)cn1	1351511117	KZDUXNRYXOIQIV-UHFFFAOYSA-N	309.757	1.725	50	20	DDGD	
CCN(CC)CC[C@H](C)NC(=O)NNC(=O)CC(C)(C)C	1515342348	CWVWOMRSNPZUSJ-LBPRGKRZSA-N	300.447	1.873	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)O	1603613347	YJSWZJIQTMDYFH-ZETCQYMHSA-N	319.757	1.375	50	20	DDGD	
O=C(NN=C1C[C@H]2C[C@@H](C(=O)O)[C@H]1C2)c1cccc(Cl)n1	1601551882	CQJYTIIMAKYVTI-IWSPIJDZSA-N	307.737	1.952	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCSC[C@@H]1C(=O)O	1603302913	OXNOSPZOIBJGPC-HTQZYQBOSA-N	324.240	1.825	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](C(=O)NNc2cccc(C(=O)O)c2F)C1	1606520141	ZSBZHBHMUHVIRS-OCAPTIKFSA-N	310.281	1.166	50	20	DDGD	
O=C(CCCc1cccs1)NNC(=O)[C@H]1CC[C@@H](C(=O)O)C1	1601270857	FDGFKERLVKJMFU-WDEREUQCSA-N	324.402	1.719	50	20	DDGD	
Cc1ncc(NC(=O)NNc2cccc(C(=O)O)c2F)cn1	1600744321	SDISGGOGKVCPSU-UHFFFAOYSA-N	305.269	1.771	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C[C@@H](C)CC(=O)O)cc1	1607812159	SPRSADCGGJQXGR-LLVKDONJSA-N	308.334	1.022	50	20	DDGD	
O=C(O)CC[C@@H]1CC[C@H](C(=O)NNc2cc(Cl)ccn2)O1	1608736775	YZCBTXLSIIAYIF-VHSXEESVSA-N	313.741	1.591	50	20	DDGD	
O=C(NCC1CCNCC1)NNc1ccc(F)c(C(=O)O)c1	1608433806	BXSFDVGNGWHPCM-UHFFFAOYSA-N	310.329	1.150	50	20	DDGD	
O=C(O)CNC(=O)NN=C1CCCOc2ccc(Cl)cc21	1602071222	IMZXSRGBCGDTHG-UHFFFAOYSA-N	311.725	1.601	50	20	DDGD	
CC(=NNC(=O)c1cccnc1)c1cccc(-c2nn[nH]n2)c1	1602906307	KKCKJUSUHGVHAZ-UHFFFAOYSA-N	307.317	1.416	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@H]2CC[C@@H](CC(=O)O)C2)cn1	1600947644	VWSZPUVPAXPVGF-SZRHHWKKSA-N	302.334	1.087	50	20	DDGD	
COc1cccc2c1CC[C@]2(N)C(=O)NNc1cc(C)ncn1	1579291038	FDFBPAHCBNIWQJ-MRXNPFEDSA-N	313.361	1.037	50	20	DDGD	
CCC1(N)CCN(C(=O)NNC(=O)c2ccc(C#N)cc2)CC1	1577227976	SUHQNSLGEXLFDS-UHFFFAOYSA-N	315.377	1.116	50	20	DDGD	
CC(C)CC(CC(C)C)C(=O)NN(C)C(=O)N1CCNCC1	1575540462	LANNKOBQMZJPPY-UHFFFAOYSA-N	312.458	1.683	50	20	DDGD	
O=C(NNC(=O)[C@H]1Cc2ccccc2CN1)OCC(F)(F)F	1580736252	PSBWRQXPQKEYDH-SNVBAGLBSA-N	317.267	1.021	50	20	DDGD	
CC(=O)CCC(=O)N1CCCC12CN(C(=O)C(Cl)Cl)C2	1842655752	CRDZYRFINMLOIR-UHFFFAOYSA-N	321.204	1.363	50	20	DDGD	
C[C@@](Cn1cccn1)(NC(=O)C1CCC(Cl)CC1)C(=O)O	1592916547	HWRBBQDCAWYUHA-MGULZYLOSA-N	313.785	1.640	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1ncsc1C1CC1	1595262123	QSTUSSYJRWSAHF-UHFFFAOYSA-N	304.331	1.871	50	20	DDGD	
CN(C)c1ccc(C(=O)NNc2cccc(C(=O)O)c2F)cn1	1598312875	XNDDYXILMAELKF-UHFFFAOYSA-N	318.308	1.742	50	20	DDGD	
O=C(/C=C/C1CC1)N1CC[C@H]2[C@@H]1CCN2C(=O)C(Cl)Cl	1847585911	HVGRYLHRXZMQIN-SEUFLZDSSA-N	317.216	1.958	50	20	DDGD	
C/C(C=NNC(=O)NCC(=O)O)=C/c1cccc([N+](=O)[O-])c1	1592211897	OEPQVOHINZRXML-AYDDHIBLSA-N	306.278	1.368	50	20	DDGD	
COc1nc(C)ccc1C(=O)NNc1ccc(F)c(C(=O)O)c1	1599730503	UPHVINWSIYGZBB-UHFFFAOYSA-N	319.292	1.993	50	20	DDGD	
C[C@@](O)(C(=O)NNc1ccc(C(=O)O)c(F)c1)c1ccccc1	1599883084	WIVJIRVXFFBRSF-INIZCTEOSA-N	318.304	1.875	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2cccn2CC(=O)O)cs1	1594451215	LXXBZCWLIUYKBK-UHFFFAOYSA-N	306.347	1.030	50	20	DDGD	
COc1ccc(F)cc1CC(=O)NNc1ncccc1C(=O)O	1594099372	LTKRSOUCFZLZSY-UHFFFAOYSA-N	319.292	1.613	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1ccc(-c2nn[nH]n2)c(OC)c1	1590845521	OWVQPEHLNCFLCB-POHAHGRESA-N	319.346	1.174	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(C(=O)O)c(F)c1)[C@@H]1CCCNC1	1593102842	XWWYIAADMRGYSP-VHSXEESVSA-N	324.356	1.538	50	20	DDGD	
CCOC1CC2(C1)C[C@H]2C(=O)NNc1ccc(CC(=O)O)cc1	1596848971	GHELGQQKPRVKNL-UUCFBXCCSA-N	318.373	1.962	50	20	DDGD	
CNc1ncccc1C(=O)NNc1ccc(C)c(C(=O)O)c1	1598680961	BTEWJPNFEUNKRR-UHFFFAOYSA-N	300.318	1.887	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)C(F)F)CCO2)C1	1781213394	NYJQYUACBFGXSM-TVQRCGJNSA-N	324.755	1.099	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1ccc(OCCC(=O)O)cc1	206734472	AZDZVGGOYKXSSE-JLHYYAGUSA-N	319.313	1.637	50	20	DDGD	
COC(=O)NNC(=O)c1c(F)cc(Br)cc1F	158754521	WQWFPPUODGEXBH-UHFFFAOYSA-N	309.066	1.728	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1C1CC1)c1cc(-c2cccs2)n[nH]1	152314794	MMXDWJHZMLHFHR-NXEZZACHSA-N	316.386	1.945	50	20	DDGD	
COCc1nc(C(=O)NNc2ncccc2[N+](=O)[O-])cs1	153536050	MNZALKCJJVUBPL-UHFFFAOYSA-N	309.307	1.350	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CS(=O)(=O)C(C)C)c1	157516811	ZHGOBBVHCLHOIO-UHFFFAOYSA-N	304.343	1.101	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1ccc2nncn2c1	156092973	RTMUJJOFYKFRSS-UHFFFAOYSA-N	309.329	1.123	50	20	DDGD	
Cn1c(NNC(=O)c2cccc(F)n2)nc2ccccc2c1=O	157660274	QUTBMJMZSGHSCV-UHFFFAOYSA-N	313.292	1.225	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccc(C#N)cc2)oc1C	155889250	QULYNAFERLBYQB-UHFFFAOYSA-N	313.313	1.608	50	20	DDGD	
COc1ccccc1C(=O)NCC(=O)NNc1ccc(C#N)cc1	155428920	SLBOEXADNQXOGY-UHFFFAOYSA-N	324.340	1.440	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN(C)[C@@H]1CCSC1	155932114	ODGRUNYFAXSDMU-CQSZACIVSA-N	321.446	1.122	50	20	DDGD	
C[C@H](NS(=O)(=O)CCCCCl)[C@@H](O)Cc1ccccc1	154788071	TUHLBJLKZCAUHI-JSGCOSHPSA-N	319.854	1.917	50	20	DDGD	
Cn1ccnc1[C@H]1CCN(S(=O)(=O)CC(C)(C)CCl)C1	867015126	VUTIDEBAPSGVPB-NSHDSACASA-N	319.858	1.804	50	20	DDGD	
O=C(CSc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc[nH]1	6991187	YRDSHZPBAHXDPY-UHFFFAOYSA-N	320.330	1.476	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Cc1cc2ccccc2[nH]c1=O	103197775	ZNDWNIRLTJFESQ-UHFFFAOYSA-N	315.373	1.654	50	20	DDGD	
COC(=O)N1CCC(=NNC(=O)COc2ccccc2F)CC1	54868472	MSIQNRWRQNQSMP-UHFFFAOYSA-N	323.324	1.539	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1	103424238	ZGZQPHBMOWIABI-GJZGRUSLSA-N	313.332	1.714	50	20	DDGD	
C[C@@H]1CCCC[C@H]1OCC(=O)NNC(=O)NCc1ccco1	112881982	XCNMCYKFIHYWME-DGCLKSJQSA-N	309.366	1.705	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)Nc1ccncc1	56498951	RAELCGDJJTXIMC-UHFFFAOYSA-N	309.329	1.958	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)c1cc(Br)c[nH]1	23914817	FKRSTBYAQFAXMJ-UHFFFAOYSA-N	302.172	1.974	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ncoc2-c2ccccc2)cn1	117678337	GJQIBFQJMHLAGN-UHFFFAOYSA-N	311.301	1.150	50	20	DDGD	
CCC(=O)N1CCC(=NNC(=O)c2cccc([N+](=O)[O-])c2)CC1	64305872	YHNKMKCKYLDTRC-UHFFFAOYSA-N	318.333	1.713	50	20	DDGD	
N#Cc1ccc(CC(=O)NNc2nc(-c3ccncc3)no2)cc1	170830938	FACRZLIKFRTOJM-UHFFFAOYSA-N	320.312	1.689	50	20	DDGD	
CC(=O)c1cccc(O[C@@H](C)C(=O)NNC(=O)NC2CC2)c1	63244725	BJMCPERCCRPPEX-JTQLQIEISA-N	305.334	1.149	50	20	DDGD	
Cc1cccc(C(=O)NNC(=S)N[C@H](C)C2CC2)c1[N+](=O)[O-]	175552614	GNMPCHCFRIONBZ-SECBINFHSA-N	322.390	1.811	50	20	DDGD	
Cc1cnn(CCC(=O)NNC(=O)NCCc2cccs2)c1	65198355	KWUJEPUILPWDLC-UHFFFAOYSA-N	321.406	1.216	50	20	DDGD	
C[C@@H](CC(=O)NNc1ncccn1)NC(=O)C1CCCCC1	66609147	QJBFRIQQMCXINI-NSHDSACASA-N	305.382	1.395	50	20	DDGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)N[C@@H]1CCOC1	179167106	YSDQDAMONXKSAR-SSDOTTSWSA-N	318.160	1.726	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)COC1CCCCC1	61475618	IAVSNVXVOLQDBB-UHFFFAOYSA-N	320.389	1.952	50	20	DDGD	
C[C@@H](CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)c1ccccc1	68742262	BKOWMEDKDKHNQL-ZFWWWQNUSA-N	324.446	1.673	50	20	DDGD	
C=CC1CCN(CC(=O)NNC(=O)c2ccc(C)cc2)CC1	111258335	GVYMURFPNNDRFL-UHFFFAOYSA-N	301.390	1.654	50	20	DDGD	
CCO[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc[nH]2)C12CCCC2	173514329	OOEZIZPBAZXNGL-STQMWFEESA-N	320.393	1.697	50	20	DDGD	
O=C(NNc1ccncc1)[C@H]1CCCCN1C(=O)c1ccco1	183019984	GWSFGNDGPZQNLL-CYBMUJFWSA-N	314.345	1.813	50	20	DDGD	
Cc1cscc1NC(=O)C(=O)NNc1cncc(Cl)n1	128306904	DKJPVYHYBJIOAZ-UHFFFAOYSA-N	311.754	1.582	50	20	DDGD	
C[C@H]1[C@@H](C)OCCN1C(=O)NNC(=O)CCCc1ccccc1	120189447	MXTKGAOGZGKXFQ-UONOGXRCSA-N	319.405	1.859	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)NNC(=O)CCc1ccccc1	129492110	BRAPUBMGCSVDRP-DOMZBBRYSA-N	302.374	1.772	50	20	DDGD	
COc1nc(C(=O)NNc2ncc(F)cn2)cc2ccccc12	123119225	MYHSQTXMGFWBRN-UHFFFAOYSA-N	313.292	1.929	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1ccnc(F)c1	78192401	ZVYRVJRVVGVTTF-UHFFFAOYSA-N	303.293	1.199	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@H]1CN(CC)CCO1)c1ccccc1	73552772	ZXSFRUVJFURPRQ-HUUCEWRRSA-N	319.405	1.048	50	20	DDGD	
COc1ccc(NNC(=O)CCn2cccn2)c([N+](=O)[O-])c1	122643402	GCKYHAIIKKINHF-UHFFFAOYSA-N	305.294	1.333	50	20	DDGD	
Cc1ccc(O)c(C(=O)NNc2nc3ccccc3c(=O)n2C)c1	70919901	QEOAILPDJULURG-UHFFFAOYSA-N	324.340	1.704	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1ccc(-c2cc[nH]n2)cc1	185272964	AXXYDZQLGFPCNW-UHFFFAOYSA-N	310.317	1.871	50	20	DDGD	
CC(C)Cn1cc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)cn1	126123055	GXBVIYOIDLNVLA-UHFFFAOYSA-N	323.397	1.061	50	20	DDGD	
O=C(NCC(F)F)NNC(=O)Nc1ccc(OC(F)F)cc1	73149508	MQROYMLPCLCIMC-UHFFFAOYSA-N	324.234	1.889	50	20	DDGD	
C[C@@H](C(=O)NNc1ncc(Cl)cc1Cl)n1cncn1	132538026	OQUDXZPGELUBCA-LURJTMIESA-N	301.137	1.684	50	20	DDGD	
CN(CCNC(=O)NNc1cccnn1)Cc1ccccc1	77349349	KOKSGJCVQVEINI-UHFFFAOYSA-N	300.366	1.235	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@H]2CCN(C3CC3)C2)o1	84431638	IQRYFJRJBYXQFT-NSHDSACASA-N	306.366	1.016	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2ncc(Cl)cc2Cl)CC1=O	132745058	GJVBYQTXLUSGQE-SSDOTTSWSA-N	317.176	1.700	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Nc2nc(C)cs2)c1O	138430984	KBJXPAWKCHDUMF-UHFFFAOYSA-N	322.346	1.632	50	20	DDGD	
CC(C)NC(=O)Nc1ccccc1C(=O)NNc1cnccn1	133267290	YYSBCSFSUGBRBE-UHFFFAOYSA-N	314.349	1.763	50	20	DDGD	
CN(C)[C@H](C(=O)NNC(=O)NCc1ccco1)c1ccccc1	195489741	WPHHHFDWKRYSHP-AWEZNQCLSA-N	316.361	1.413	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NNc1nc2ccccn2n1	191909106	PRPYPEZOLZNYFU-FMIVXFBMSA-N	322.303	1.919	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cc(Cl)c2c(c1)OCCO2	193747601	PNROVGHZZHKCJB-WDZFZDKYSA-N	322.748	1.781	50	20	DDGD	
CSCCNC(=S)NNC(=O)CCc1ccccc1C	94120532	ZZMLANXVHWSOBX-UHFFFAOYSA-N	311.476	1.786	50	20	DDGD	
C[C@@H]1CSCCN(C(=O)NNC(=O)c2ccc(C#N)cc2)C1	192319365	XOZHKKOKEAAAIK-NSHDSACASA-N	318.402	1.598	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCOCC(F)F)s1	191288973	ISVISROPLSWFJK-UHFFFAOYSA-N	307.322	1.282	50	20	DDGD	
CN(NC(=O)Cn1c(=O)n(C)c2ccccc21)c1ccccc1	141349417	PUGBOVRDJYTCKZ-UHFFFAOYSA-N	310.357	1.508	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(Br)cc2)[nH]n1	97497536	JETDQYPSBQHKMN-UHFFFAOYSA-N	323.150	1.555	50	20	DDGD	
Cc1ccc2c(c1)CC[C@@H]2NC(=O)NNC(=O)Cc1cccnc1	264085793	FBGVECKPFGQBRC-INIZCTEOSA-N	324.384	1.950	50	20	DDGD	
C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)C1CCC1	264657241	CLDOJRWKCCTUNX-NSHDSACASA-N	319.361	1.249	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)COc1ccc(C)cc1)N(CC)CC	266789121	PBDQDWHIZDRSDW-OAHLLOKOSA-N	321.421	1.642	50	20	DDGD	
O=S(=O)(CBr)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21	272779647	HEECNSLVGBTUMR-HBNTYKKESA-N	302.193	1.597	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNc1cccc(S(C)(=O)=O)c1	271906567	NXOJKZKFWASSBD-JTQLQIEISA-N	315.395	1.141	50	20	DDGD	
CCN(C(=O)[C@@H](Br)C(C)(C)C)[C@H]1CC(=O)NC1=O	274506847	UFTOPNJYLJFJQV-IONNQARKSA-N	319.199	1.060	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC[C@H](n2cncn2)C1	364475885	HYQLNINTKCKYQV-UWVGGRQHSA-N	315.215	1.861	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CCO[C@H](C)C1	272101483	PYADAPBMVUISQG-WOPDTQHZSA-N	324.352	1.556	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC12CCOCC2)c1c[nH]c2ccccc12	365766165	SEQMLFQUUHYOFQ-ZDUSSCGKSA-N	313.357	1.746	50	20	DDGD	
COCCOc1ccc(C(=O)NNc2cccc(OC)n2)cc1	272538087	ONYOIDLXCUSJPO-UHFFFAOYSA-N	317.345	1.872	50	20	DDGD	
CC(C)OCCCC(=O)NNC(=O)c1ccc2c(c1)OCCO2	272916702	HQNVDPHZPVQAGH-UHFFFAOYSA-N	322.361	1.424	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)nc1	276032081	WGGQTHDBONSFJD-GXFFZTMASA-N	305.382	1.199	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NNC(=O)CC(C)C	274190317	QAEGISDWGSNRTJ-UHFFFAOYSA-N	322.321	1.035	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNC(=O)Cc1ccc(F)cc1	273479083	JXYGSTHAHQGJRL-UHFFFAOYSA-N	316.336	1.490	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)COCc2ccccc2)CCCOC1	272935597	IYWGXKMLPJUYEX-INIZCTEOSA-N	306.362	1.167	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)N[C@H]1CC(=O)N(C2CC2)C1	282552614	ZBLRRSKZRQOOQZ-ZDUSSCGKSA-N	316.405	1.947	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C1	282117844	JJRMTWDMQZCAEU-AKFCNNOESA-N	321.358	1.578	50	20	DDGD	
COCCN(C)NC(=O)c1cccc(OC)c1OC(F)F	288448474	OVKBKAZFIYBUAS-UHFFFAOYSA-N	304.293	1.520	50	20	DDGD	
COc1cccc(NNC(=O)c2cn(C3CC3)c(C)cc2=O)n1	288363343	DPBKUYGRGUQJJB-UHFFFAOYSA-N	314.345	1.652	50	20	DDGD	
CCN(CCOCCO)C(=O)c1c(C)nn(CCCl)c1C	282344727	DXIORAGSXYJWKF-UHFFFAOYSA-N	317.817	1.210	50	20	DDGD	
Cn1ncc2c1C[C@@H](C(=O)NNc1nnc(C3CC3)s1)CC2	282532516	YXKDJVGFRRSRLM-VIFPVBQESA-N	318.406	1.397	50	20	DDGD	
C=CC[C@@H](CC)NC(=O)NNC(=O)COc1ccc(OC)cc1	281256235	GOXZPBLTCVROAI-GFCCVEGCSA-N	321.377	1.759	50	20	DDGD	
O=C(CC1OCCCO1)NNC(=O)Nc1cc(F)cc(F)c1	283622350	ASCMMHFDILLYOQ-UHFFFAOYSA-N	315.276	1.271	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NC[C@H]2CCSC2)cc1	280219585	WVCQCJCMYIITFO-LLVKDONJSA-N	304.375	1.255	50	20	DDGD	
O=C(NCC(Cl)Cl)c1ccnc(O[C@@H]2CCOC2)c1	288697724	BSGQALVERHLYIQ-SECBINFHSA-N	305.161	1.783	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1nc2cc(Cl)ccn2n1	289587576	BUZFJIHTWMMMHE-UHFFFAOYSA-N	308.729	1.336	50	20	DDGD	
CSSCCNC(=O)N1CCC[C@@H]1c1nncn1C	287851088	NZPLWQIGYYYKHX-SECBINFHSA-N	301.441	1.673	50	20	DDGD	
COCCN(C)NC(=O)c1ccc2c(c1)NC(=O)CCS2	288431912	HYTXQEWWIROSGK-UHFFFAOYSA-N	309.391	1.344	50	20	DDGD	
Cc1c(C(=O)NNc2cccc(F)n2)nnn1-c1ccccc1	804769141	HLLNCMLYBPWMGH-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
CCn1cc(CC(=O)NNC(=O)Nc2ccc(OC)cc2)cn1	802054872	XDQXJHHRASDALR-UHFFFAOYSA-N	317.349	1.307	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1CCN2CCCC[C@@H]12	298730568	LNEQEXZXGRZWJU-GJZGRUSLSA-N	316.405	1.566	50	20	DDGD	
CN(C)[C@@H]1CCC[C@H](NC(=O)NNc2ncc(F)cc2F)C1	297773211	CYZPYKAHPZZHPV-WDEREUQCSA-N	313.352	1.859	50	20	DDGD	
C[C@H](C(=O)NNc1ncccn1)[C@H]1OCCc2sccc21	293028180	QFAFFIAAUDVECB-JOYOIKCWSA-N	304.375	1.931	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)c1c[nH]c2ccccc12)C1CC1	297060025	XYTHXJYMEMFLTH-AWEZNQCLSA-N	316.361	1.537	50	20	DDGD	
O=C(NCCSC(F)(F)F)NNC(=O)c1ccccc1O	298941575	JXUSSEPQMUFRDX-UHFFFAOYSA-N	323.296	1.589	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2nnc(C(F)F)s2)O1	292520392	DTFRQWXUBVKEKL-WHFBIAKZSA-N	321.309	1.196	50	20	DDGD	
COc1ccc(-c2nsc(NC(=O)NNC(C)=O)n2)cc1	809926976	XYPQTKOTWBOCSB-UHFFFAOYSA-N	307.335	1.386	50	20	DDGD	
O=C(NCc1coc2ccccc12)NNC(=O)[C@@H]1CCCO1	292913472	HKHWXOSMTWIFMV-ZDUSSCGKSA-N	303.318	1.442	50	20	DDGD	
COc1ccc(F)c2[nH]c(C(=O)NNC(=O)[C@@H]3CCCO3)cc12	293965711	KBVVTWBGUDUQAN-LBPRGKRZSA-N	321.308	1.256	50	20	DDGD	
C[C@@H]1CC[C@H](C=NNC(=O)Cn2nnc(-c3ccccc3)n2)C1	800805047	NRYCKPUAIUXYPQ-OLZOCXBDSA-N	312.377	1.878	50	20	DDGD	
CC[C@H](C)Oc1cc(C(=O)NNc2ncncc2F)ccn1	294045076	OWJIYLQYSAUNMV-VIFPVBQESA-N	305.313	1.945	50	20	DDGD	
CNC(=O)NCCC(=O)NNc1ccccc1C(F)(F)F	814268936	MGHZWTRFRFWGEJ-UHFFFAOYSA-N	304.272	1.468	50	20	DDGD	
CCOC(=O)C[C@@H]1CCCCC1=NNC(=O)c1ccnnc1	817340612	RAEZSZWIQVGZAA-NSHDSACASA-N	304.350	1.706	50	20	DDGD	
CCn1nc(C(=O)NN=C(C)CCCO)c2ccccc2c1=O	814739162	DDPAMNOLSVNDIG-UHFFFAOYSA-N	316.361	1.295	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2c[nH]c(C(=O)OC)c2)cc1	814221623	HDIFREYGMVQYII-UHFFFAOYSA-N	315.329	1.439	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=C2CC(C(=O)O)C2)cc1	814747720	SJUDBLUBWYPART-VUWPPUDQSA-N	320.345	1.819	50	20	DDGD	
CCOc1ccc(C(=O)NN=C2COCCOC2)cc1OC	814754292	GZDYFKUTRJPGTE-UHFFFAOYSA-N	308.334	1.227	50	20	DDGD	
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN(C)C1CC1	819645831	UMKGQCROCKDIHA-LLVKDONJSA-N	317.455	1.758	50	20	DDGD	
O=C(NNc1ncncc1F)c1cccc(Cn2ccnc2)c1	817078546	JSCIZDAPMZHDFE-UHFFFAOYSA-N	312.308	1.617	50	20	DDGD	
Cc1ccoc1CNC(=O)NNc1cccc(S(C)(=O)=O)c1	813842152	CXWSBBWUNSDYOP-UHFFFAOYSA-N	323.374	1.818	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C[C@H]1CCCOC1	814722864	RIMKYLXRXFPORT-CYBMUJFWSA-N	306.362	1.993	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)CCc1ccc(OC)cc1	812480915	UCEDRPKIJDGPHY-OLZOCXBDSA-N	322.405	1.694	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NNC(=O)[C@H]2CCCC[C@H]2C)c1	819909187	XKHAVVQOSXAFPW-YGRLFVJLSA-N	318.377	1.627	50	20	DDGD	
Cc1ccc(NC(=O)NNc2ncncc2F)cc1[N+](=O)[O-]	814478381	VBGXKJKJPCJLCN-UHFFFAOYSA-N	306.257	1.981	50	20	DDGD	
Cn1cc(C=NNC(=O)C23CC4CC(CC(C4)C2)C3)c(O)n1	814213603	PIJMUPKHUFICFG-UHFFFAOYSA-N	302.378	1.792	50	20	DDGD	
CCOc1ccc(NNC(=O)C(=O)Nc2cnc(C)nc2)cc1	815816538	AVPYKTHRPWJELJ-UHFFFAOYSA-N	315.333	1.266	50	20	DDGD	
Cc1cc(C(=O)NNc2ncncc2F)nc(C(F)(F)F)n1	817078940	AODQYYXQULAVEM-UHFFFAOYSA-N	316.218	1.490	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCc1cccc(OC(C)(C)C)n1	823946984	QMCHVPPAAOCQGB-LBPRGKRZSA-N	309.410	1.535	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C	497226290	IFIAAAOYRYPJFJ-UWVGGRQHSA-N	301.387	1.339	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc2c(c1)COC2)C1CCCC1	727719905	DDYBSISAJPYRHS-UHFFFAOYSA-N	310.375	1.217	50	20	DDGD	
CCN(CCO)NC(=O)CSCc1cccc(Cl)c1	823834013	OIPOKTWNKZJOIO-UHFFFAOYSA-N	302.827	1.919	50	20	DDGD	
CCN(CCO)NC(=O)c1cnc(OCC2CC2)c(Cl)c1	823873943	JNKTYSJVLQFZFX-UHFFFAOYSA-N	313.785	1.483	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@H](C)C2(CCC2)C1	827280742	DETHLPJIRPCSCS-AVGNSLFASA-N	309.410	1.664	50	20	DDGD	
CCOC(=O)CN(CC)C(=O)/C(C#N)=C/c1ccc(O)cc1	491134620	SBLXIWKAPGNVLU-UKTHLTGXSA-N	302.330	1.711	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C(=O)OC)[C@@H]1CCC[C@H](OC)C1	491011194	OCQITIZXSMCKOY-PWLAVRSSSA-N	324.377	1.293	50	20	DDGD	
CC(C)[C@@]1(CO)CCCN(C(=O)/C(C#N)=C\c2cnn(C)c2)C1	491138447	ZAMLZMWAUUYUQY-OLMDTSMNSA-N	316.405	1.584	50	20	DDGD	
C=Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2)cc1	821118952	INLYMLJVWNTTJL-UHFFFAOYSA-N	302.355	1.953	50	20	DDGD	
CN1CC[C@H](CNC(=O)/C(C#N)=C/c2ccc(F)cc2)CC1=O	491047139	IFTLKRKUCVXKJA-JGWKKKPCSA-N	315.348	1.717	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc(-n2cccn2)nc1	728608449	ZVFFMRNQIXKIPT-UHFFFAOYSA-N	301.350	1.465	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1	490598032	SWVGNSICPMRAOY-UHFFFAOYSA-N	317.301	1.841	50	20	DDGD	
C=CCCOCCNC(=O)NNc1cccc(-c2nn[nH]n2)c1	823899347	SYZKDWDMFKPROM-UHFFFAOYSA-N	317.353	1.086	50	20	DDGD	
COc1ccccc1N1CC[C@H](CNS(=O)(=O)CCl)C1	820789959	UCPFAUGKGOCYHR-LLVKDONJSA-N	318.826	1.637	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(-c2ccccn2)nc1O	490774029	ZXZHDIFBIWQVOO-UHFFFAOYSA-N	302.290	1.240	50	20	DDGD	
C[C@H]1CN(C(=O)/C(C#N)=C\c2cnn(C)c2)CCN(C2CC2)C1	491136918	WNPDFSFMUIWJSY-QVYJARAXSA-N	313.405	1.270	50	20	DDGD	
CN(NS(=O)(=O)c1cncc(F)c1)C(=O)OC(C)(C)C	495996382	XNQTXZNOGZRIMU-UHFFFAOYSA-N	305.331	1.281	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(COc2ccc(F)cc2)o1	823977240	RLQXSAOFUTZJES-NSHDSACASA-N	322.336	1.955	50	20	DDGD	
O=[N+]([O-])c1ccc(N2CC[C@@H](B(O)O)C2)cc1C(F)(F)F	585072368	AFSHQMPFPXQLTR-SSDOTTSWSA-N	304.033	1.667	50	20	DDGD	
CCO[C@H](CCNC(=O)/C(C#N)=C\c1cnn(C)c1)C(C)C	491105374	QBTMMULYFGHQJX-CKNOQMABSA-N	304.394	1.894	50	20	DDGD	
CCCN(CC)C[C@@H](C)NC(=O)NNC(=O)OC(C)(C)C	495954437	ZUBOJAHZXQDMBZ-LLVKDONJSA-N	302.419	1.846	50	20	DDGD	
CC[C@H](COc1ccccc1)NCc1ccc(B(O)O)cc1F	585028277	IHSZSGKLTIYRPX-OAHLLOKOSA-N	317.169	1.453	50	20	DDGD	
O=C(N[C@H]1CCC[C@H](C2CC2)C1)c1cc(B(O)O)ccc1F	584952793	WYEJPIIAJADFQD-AAEUAGOBSA-N	305.158	1.204	50	20	DDGD	
C[C@]1(C(=O)NCCCOC[C@H]2CCCO2)C[C@H]1Br	906672374	XBQMBUPEFKOUBM-WZRBSPASSA-N	320.227	1.862	50	20	DDGD	
CCCCNC(=O)NNC(=O)C[C@H](n1cccn1)C(F)(F)F	823763551	XHZMWKNBDQQACX-VIFPVBQESA-N	321.303	1.507	50	20	DDGD	
C[C@@H](NCc1ccc(B(O)O)o1)c1cccc(OC(F)F)c1	585015438	CIKRBDMNGWOIDZ-SECBINFHSA-N	311.093	1.412	50	20	DDGD	
CC(C)(C)[C@@H](O)C(=O)NNC(=S)NCCc1cccs1	820168611	FKIPXYJEKASFIA-JTQLQIEISA-N	315.464	1.193	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@@H]3CCCNC3=O)nc12	828359055	UWIUIWFWSACBBD-SECBINFHSA-N	304.375	1.574	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1	823940238	VIUIVCGWKXTAQW-MRVPVSSYSA-N	303.265	1.030	50	20	DDGD	
CN1CCC[C@H](CCNC(=O)/C(C#N)=C/c2cnn(C)c2)C1	491133042	OKXYUYJZSGAPKN-MGMWDDNKSA-N	301.394	1.175	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(F)ccc1Br	823838483	RMINZNKOOIIWHT-UHFFFAOYSA-N	305.147	1.547	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2c[nH]c3ccc(C(=O)O)cc23)cn1	739021932	DLZJUGLUKFXTGY-UHFFFAOYSA-N	311.301	1.364	50	20	DDGD	
O=C(O)CCCCNC(=O)NNC(=O)CCC1CCCCC1	739670932	LCTPHRROFHEZAQ-UHFFFAOYSA-N	313.398	1.932	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C	496865466	RAQZFVMXFQBMFD-GHMZBOCLSA-N	315.414	1.729	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCS[C@@H](c2ccccc2)C1	735494633	GKVFMAHCTVLQAI-TZMCWYRMSA-N	321.446	1.722	50	20	DDGD	
CC[C@H]1C[C@H](c2nc(-c3cccc(B(O)O)c3)no2)CCO1	585053665	NYSQOGYHQUIDCH-YPMHNXCESA-N	302.139	1.089	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H](C)N2CCCC[C@@H]2C)nn1	730025750	FVNROFTYAUWYMJ-QWHCGFSZSA-N	306.414	1.674	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)NC1CCC(C(=O)O)CC1	739453817	MDKCKPAVKSVBSK-UHFFFAOYSA-N	323.324	1.413	50	20	DDGD	
O=S(=O)(CBr)N1CCSC[C@H]1C1CC1	832290673	BGIUDPFJXFAWLT-QMMMGPOBSA-N	300.243	1.496	50	20	DDGD	
C[C@@H](CCCc1cccnc1)NC(=O)NNc1ncccn1	838751738	YPLBCMMYXDFUDW-LBPRGKRZSA-N	300.366	1.909	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1cccc(C(=O)CC)c1	901965939	KAVPBDRMDZNLPN-UHFFFAOYSA-N	322.386	1.392	50	20	DDGD	
COc1ccc2cc(C(=O)NNC(=O)[C@@H]3CCCCO3)[nH]c2c1	833257201	UBVFCMDYHYGMMD-AWEZNQCLSA-N	317.345	1.507	50	20	DDGD	
CCc1nocc1C(=O)NNc1ccc(C(F)(F)F)nn1	831156902	AVWNVFSEHYEZDY-UHFFFAOYSA-N	301.228	1.803	50	20	DDGD	
C[C@H]1C[C@H](C)CN(CCCCNC(=O)NNC(=O)C2CCC2)C1	732240744	IZTCZMHDWICGLK-KBPBESRZSA-N	324.469	1.875	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	831048005	ZMFDWDIANVWQFB-KOLCDFICSA-N	322.321	1.481	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)N=c1cc[nH]cc1)C1=CCCC1	836673836	DNXLODFAEICVLA-UHFFFAOYSA-N	317.393	1.976	50	20	DDGD	
COc1cc2nccc(N3CC[C@H](B(O)O)C3)c2cc1OC	585078986	QWRFCUQICKCRDL-JTQLQIEISA-N	302.139	1.305	50	20	DDGD	
COC[C@H](NCc1ccc(B(O)O)cc1F)c1ccc(F)cc1	585027057	NVWKBGATQUVGMF-INIZCTEOSA-N	321.132	1.122	50	20	DDGD	
CN(C)C[C@@](C)(C=NNC(=O)c1cnccn1)c1ccccc1	834939283	XHQPXSLMGOTCDF-QGZVFWFLSA-N	311.389	1.712	50	20	DDGD	
Cc1nc2ccccc2cc1C(=O)NNC(=O)[C@H]1CCCCO1	833257703	ZLYUDHRXQHQTGO-OAHLLOKOSA-N	313.357	1.873	50	20	DDGD	
C[C@H]1[C@@H](C)N(C(=O)[C@@]2(C)C[C@H]2Br)CCS1(=O)=O	906744438	IOGJIAHQVNJOAF-LOKLDPHHSA-N	324.240	1.194	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@H](C)CC(=O)NC)c1ccccc1	836630812	QTXOYJPIIUFOHG-YPMHNXCESA-N	320.393	1.035	50	20	DDGD	
C[C@@H]1C[C@@H]1c1ccc(CNCc2ccc(B(O)O)cc2F)o1	585017363	VKPXYAMPUJTYEK-YGRLFVJLSA-N	303.142	1.512	50	20	DDGD	
CC(C)c1ccc(NNC(=O)CCS(=O)(=O)N(C)C)cc1	837052268	AIEZFYDEXKPDFB-UHFFFAOYSA-N	313.423	1.535	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@H](C)C2CCC2)nc1C	837517634	RYOIFFCJAIMKOK-SECBINFHSA-N	306.366	1.841	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2C[C@H](CO)Cc3ccccc32)cn1	833143000	ZKSXRCGIQVFREN-RABFGMAYSA-N	322.368	1.525	50	20	DDGD	
CC(=NNC(=O)c1ccnc(N(C)C)c1)[C@H]1C[C@H]2CC[C@H]1O2	834956696	ONHWYZDPSPLIHF-MGPQQGTHSA-N	302.378	1.821	50	20	DDGD	
O=CN1CCC[C@H]1C(=O)NNc1cc(C(F)(F)F)ccc1F	831120285	VPRFEIYMNQDSPL-NSHDSACASA-N	319.258	1.908	50	20	DDGD	
CN(C)C(=O)C1(CNC(=O)NNC(=O)C(C)(C)C)CCCC1	733348544	OVMKBFMZXZRAEI-UHFFFAOYSA-N	312.414	1.012	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)cc1)[C@@H](O)c1ccc(Cl)cc1	585024914	HEIKZRUGBUPJND-MEDUHNTESA-N	319.597	1.232	50	20	DDGD	
N#Cc1cccc([C@@H]2C[C@H]2C(=O)NNC(=O)CC(F)(F)F)c1	839557057	UAUBQAZKOUDWSM-WDEREUQCSA-N	311.263	1.762	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)Cc2cscn2)nc1C	831779908	KUHMZRMWRUBIAP-UHFFFAOYSA-N	321.362	1.104	50	20	DDGD	
Cc1nnc(NNC(=O)c2ccccc2OCC(C)C)nc1O	731365077	BWGIYJABMMFTIE-UHFFFAOYSA-N	317.349	1.677	50	20	DDGD	
CC(=NNC(=O)N(C)C)[C@H]1CN(Cc2ccccc2)CCO1	735614368	VWZUBVRXKFUBMS-OAHLLOKOSA-N	304.394	1.535	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NN=C1CCS(=O)(=O)C1	912808997	FKYVRSDBQUPUDQ-UHFFFAOYSA-N	316.766	1.253	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)C[C@H]2CC(=O)N2)C1	912582045	LQLQEJXUEIHJPC-NEPJUHHUSA-N	312.486	1.888	50	20	DDGD	
Cn1c(=NNC(=O)NC(CF)CF)sc2ccccc21	836530656	ZOVYVAGKFMCWKR-UHFFFAOYSA-N	300.334	1.662	50	20	DDGD	
CNC(=O)c1ccc(C(=O)NN=c2cc[nH]c3ccccc23)cn1	730287713	QEJAZGYGQICPAQ-UHFFFAOYSA-N	321.340	1.168	50	20	DDGD	
CCOc1ncccc1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	831248615	KCZOKALGNXAJSL-NXEZZACHSA-N	308.338	1.058	50	20	DDGD	
O=C(CN1CCOC[C@@H]1C1CCC1)NNC(=O)c1cccs1	830229719	FBOMDTLQXXBJQB-GFCCVEGCSA-N	323.418	1.010	50	20	DDGD	
CCC[C@@H](C(=O)NNc1c(C)cccc1F)S(N)(=O)=O	832358025	VONRSHARXUYGHD-JTQLQIEISA-N	303.359	1.034	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H](C2CCC2)C1	841578772	WPMXDDYQWKGBHP-AWEZNQCLSA-N	302.378	1.487	50	20	DDGD	
O=C(NN=Cc1cscn1)c1csc(N2CCOCC2)n1	918710007	BQFYPOQVSUBIOQ-UHFFFAOYSA-N	323.403	1.200	50	20	DDGD	
Cn1nc2c(c1C(=O)NC[C@]1(C)C[C@@H]1Br)CCC2	912827382	NHIRTQJRCWJKKW-GWCFXTLKSA-N	312.211	1.812	50	20	DDGD	
CN(NC(=O)C1(n2cnnn2)CCCCC1)C(=O)OC(C)(C)C	846254468	LCGUYZOVIVLCJZ-UHFFFAOYSA-N	324.385	1.231	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCC(=O)c1c(F)cccc1F	910140293	ZGMDVJPMNBSFIH-VIFPVBQESA-N	300.305	1.272	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@]2(Cl)C[C@H]3CC[C@H]2O3)c1	912980083	OSZQIDNVNWFRQK-JQEORGNBSA-N	314.794	1.746	50	20	DDGD	
O=C(CCC1CCOCC1)NNC(=O)COc1ccccc1F	742471544	RQRTYKWUUXUWFR-UHFFFAOYSA-N	324.352	1.559	50	20	DDGD	
C[C@H](Cc1cnc[nH]1)C(=O)NNc1cccc(S(C)(=O)=O)c1	847667961	PNWQKVGGWXJUNI-SNVBAGLBSA-N	322.390	1.135	50	20	DDGD	
C[C@H]1CCc2c(F)cccc2C1=NNC(=O)CN1CCCC1=O	748243887	GVUJMTDHHGCJDR-NSHDSACASA-N	317.364	1.851	50	20	DDGD	
CNCc1cccc(NC(=O)NNC(=O)[C@H]2CCCCO2)c1	841311974	AXCLQOJYNMORPG-CYBMUJFWSA-N	306.366	1.128	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@H]1CCC[C@H](C(F)(F)F)C1	745986193	MWLVLRKAVVGSAH-UWVGGRQHSA-N	323.315	1.428	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H]1CCc2cncn2C1	847115803	MDDKVUHWBVNKRW-GFCCVEGCSA-N	313.361	1.607	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNc2ccc3c(=O)[nH]ccc3c2)CCN1C	843879726	HETRQZJYJNVCJZ-ZWNOBZJWSA-N	300.362	1.311	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(OC)c(S(C)(=O)=O)c1	840729019	LNPBUFYBYPDUOA-KTKRTIGZSA-N	324.358	1.481	50	20	DDGD	
CCc1ccccc1NC(=O)NN(C)C(=O)N1CCNCC1	841011861	PXUOQRQMNIFPRY-UHFFFAOYSA-N	305.382	1.243	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc3c(c2)CCCN3)n[nH]1	841302348	MXDGAAFDJAGXEE-UHFFFAOYSA-N	314.349	1.543	50	20	DDGD	
CCn1cncc1C=NNC(=O)c1ccc(OC)c(OC)c1	841602824	CPMCVRYYRXHXTQ-UHFFFAOYSA-N	302.334	1.684	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CNC(=O)c1cccs1)c1ccco1	741555065	VKHPWKJRWABGFF-VIFPVBQESA-N	321.358	1.022	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)C	843759812	NDMIZGBPPJWUQA-LBPRGKRZSA-N	300.399	1.794	50	20	DDGD	
COc1ccc(C=NNC(=O)Cc2cn3ccccc3n2)c(O)c1	747638179	MPZJQMYVTLNUKH-UHFFFAOYSA-N	324.340	1.741	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@]2(Cl)C[C@H]3CC[C@H]2O3)n1	910944734	QGLJWQORIFUWNQ-RWYTXXIDSA-N	317.176	1.810	50	20	DDGD	
COCCCCN(C)CC(=O)NNC(=O)c1cccc(C)c1	842170681	BFEUCHOIWFORSF-UHFFFAOYSA-N	307.394	1.114	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=Cc1cc(C)nn1C	841607545	WFHAKVAIYYWQBU-UHFFFAOYSA-N	300.362	1.820	50	20	DDGD	
COc1cccc(S(=O)(=O)NNC(=O)C(C)(C)C)c1F	848449331	JBACEJHWBUVCAU-UHFFFAOYSA-N	304.343	1.190	50	20	DDGD	
CC(C)Cn1cc(C(=O)NN(C)C[C@H](C)O)c(C(F)F)n1	910143519	AXMIBQXCOWFBNQ-VIFPVBQESA-N	304.341	1.434	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)/C(=C/c1ccccc1)C(F)(F)F	910150265	QWBQWMIODBLFTC-UVIKPUKZSA-N	302.296	1.976	50	20	DDGD	
Cc1ccc2c(CC(=O)NNC(=O)[C@@H]3CCO[C@H]3C)coc2c1	843647097	MXXMOLINCFYKAG-WCQYABFASA-N	316.357	1.856	50	20	DDGD	
C[C@]1(c2ccccc2)C[C@H]1NC(=O)NNC(=O)CC(F)(F)F	745858749	SUBGRJLSIFOGJF-ZWNOBZJWSA-N	315.295	1.999	50	20	DDGD	
CCCCCC(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1	744473883	LXMJQLIIAZZCQY-UHFFFAOYSA-N	317.345	1.443	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=S)NCC2CC2)c1	849251240	HOLRACLAVSITTK-UHFFFAOYSA-N	309.391	1.223	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cnn1CCC(C)C	843661942	OUQJLPWLSKRXKE-STQMWFEESA-N	322.409	1.424	50	20	DDGD	
Cc1cc(NNC(=O)[C@@]2(O)CCOC2)ccc1Br	840401410	JWTPLRBRVDDDKH-GFCCVEGCSA-N	315.167	1.352	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCn1nc(C(F)(F)F)cc1C	927470252	VRWOYJVQSIKGSZ-CSKARUKUSA-N	316.283	1.771	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2cc(F)ccc2Br)N1	840530927	CVWTXWTYYAIVPR-MRVPVSSYSA-N	316.130	1.310	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1sccc1-n1cccc1	920859519	MGCJTVYXLORLAW-UHFFFAOYSA-N	304.375	1.893	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccc(F)c(Cl)c1	755376059	YTKXZXBEMYTUSC-UHFFFAOYSA-N	311.704	1.977	50	20	DDGD	
CC(C)(C)OC(=O)C1(C(=O)NNc2ncncc2F)CCC1	854608654	GULANWGDHNRVDG-UHFFFAOYSA-N	310.329	1.571	50	20	DDGD	
Cc1ncc(NC(=O)NNC(=O)Cc2ccccc2F)cn1	756370950	KYJFRCSEJCFXRA-UHFFFAOYSA-N	303.297	1.320	50	20	DDGD	
C[C@@]1(CNC(=O)N(CCO)C2CCC2)C[C@@H]1Br	856956262	WQMZMDCTXKAAHX-JQWIXIFHSA-N	305.216	1.716	50	20	DDGD	
Cc1ccc2c(c1)CN(C(=O)NNC(=O)Cc1cccnc1)CC2	852058660	IWDSRZKEBOCOGB-UHFFFAOYSA-N	324.384	1.732	50	20	DDGD	
CO[C@H]1Cc2ccc(NC(=O)NNC(=O)c3ccc[nH]3)cc2C1	758053604	FLHLFCBPEUAIAA-ZDUSSCGKSA-N	314.345	1.595	50	20	DDGD	
Cc1ccc(NNC(=O)Cn2nnc3c2CCCC3)cc1F	856226249	WIMCGTDZTTZOQU-UHFFFAOYSA-N	303.341	1.748	50	20	DDGD	
COC(OC)c1ccc(C(=O)NNc2ncc(Cl)cn2)o1	857358285	SCDCQUADSORVSX-UHFFFAOYSA-N	312.713	1.771	50	20	DDGD	
CCn1nncc1CNC(=O)NNc1ccc(Cl)cc1F	923386512	CCHASZQTLBBCNH-UHFFFAOYSA-N	312.736	1.917	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3)C[C@@H]1Br	857105174	GDKWWIVOKBGIRO-MPPDQPJWSA-N	316.243	1.696	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCC1=NNC(=O)c1cccc(C(=O)O)c1	853426518	UQVYIYNHBVRVIW-GFCCVEGCSA-N	324.358	1.068	50	20	DDGD	
CCC(=O)N1CC[C@H](NC(=O)NNC(=O)c2cc(C)cs2)C1	858300789	SLXNETOLYBPYAM-JTQLQIEISA-N	324.406	1.011	50	20	DDGD	
CC[C@H]1CC(=NNC(=O)c2cc([N+](=O)[O-])ccc2O)CCO1	756829430	PGMMVVZKBIFICR-NSHDSACASA-N	307.306	1.975	50	20	DDGD	
Cc1cc(C)n([C@H](C)CC(=O)NNC(=S)NCC2CCC2)n1	855092053	NZVUUFWMVFRPSI-GFCCVEGCSA-N	323.466	1.746	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2(C#N)CC(C)C2)cc1OC	758150437	LLRZWMDZQZPYKG-UHFFFAOYSA-N	317.345	1.405	50	20	DDGD	
C[C@@H](C(=O)NNc1nc(-c2ccc(Cl)cc2)no1)N(C)C	750614489	GDODSTOXYTZIRM-QMMMGPOBSA-N	309.757	1.783	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)c1ccc(F)cc1	858428051	NGYOHESSRDMWJY-CYBMUJFWSA-N	319.340	1.890	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1c2ccccc2C[C@@H]1C	751134210	KPIWIYLHKAARFW-KBPBESRZSA-N	315.417	1.667	50	20	DDGD	
CC(C)(C)OC(=O)[C@@]1(C(=O)NNC(=O)CC2CC2)CC1(C)C	854667600	MXJIGMAWIOUEQS-INIZCTEOSA-N	310.394	1.692	50	20	DDGD	
CC[C@]1(COC)NC(=O)N(C[C@@]2(C)C[C@H]2Br)C1=O	857227064	FOPYTYIZDZIAIW-GGZOMVNGSA-N	319.199	1.507	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2c(CO)noc2C)c1C	855624609	RRXWBJSFSHFGGF-UHFFFAOYSA-N	319.317	1.327	50	20	DDGD	
NC(=O)[C@@H](Cc1ccccc1)NNC(=O)c1c[nH]c2ccccc12	758142253	DHYFVDHFYDUVGB-MRXNPFEDSA-N	322.368	1.499	50	20	DDGD	
C[C@H](N)CCNC(=O)NNC(=O)c1c(Cl)cccc1Cl	857112546	DMOZSWBWHGYEGL-ZETCQYMHSA-N	319.192	1.675	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2nc(C)c(C)[nH]2)n1	853262427	VCHUEAXLADFPFH-UHFFFAOYSA-N	318.406	1.676	50	20	DDGD	
Cc1ccc(NNC(=O)CCCN2C(=O)CCC2=O)cc1F	856230942	ILDJMHHJCCPEIN-UHFFFAOYSA-N	307.325	1.506	50	20	DDGD	
CCN(CC)CCOCCNC(=O)NNc1cccc(C#N)c1	758686692	AVYLRSPRUXLNFM-UHFFFAOYSA-N	319.409	1.543	50	20	DDGD	
Cn1c(C=NNC(=O)N2CCOCC2)nc2cc(Cl)ccc21	755671368	FICNHECYKUPKPI-UHFFFAOYSA-N	321.768	1.602	50	20	DDGD	
C[C@H]1CCCN(C[C@H](C)NC(=O)NNc2ccc(F)cn2)C1	753916761	ZRCGEYBTEILXAA-RYUDHWBXSA-N	309.389	1.967	50	20	DDGD	
C[C@H](NNC(=O)CCCNC(=O)OC(C)(C)C)C(F)(F)F	862305547	QBRRFYZYDCCQEO-QMMMGPOBSA-N	313.320	1.863	50	20	DDGD	
CC(C)CC(=NNC(=O)CS(C)(=O)=O)c1ccc(F)cc1	863183822	NQEYACJWQFEEPM-UHFFFAOYSA-N	314.382	1.737	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cnn(CC2CC2)c1	869216830	FSMKAVXSEQXCLO-UHFFFAOYSA-N	307.423	1.202	50	20	DDGD	
COC(=O)c1[nH]c(C)c(C(=O)NNc2cccc(C)n2)c1C	862521963	DFWYJJIADXUUIN-UHFFFAOYSA-N	302.334	1.878	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc[nH]1	862509845	VOWSGBDLSPRPHX-LBPRGKRZSA-N	302.378	1.046	50	20	DDGD	
CCOc1ncccc1NC(=O)NNc1nccnc1OC	763483487	CHIXBBIIXIDTDI-UHFFFAOYSA-N	304.310	1.428	50	20	DDGD	
COCCOCCC(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	768332303	GYMPEPZWABCVQD-UHFFFAOYSA-N	313.310	1.100	50	20	DDGD	
C[C@@H]1C[C@@H](NS(=O)(=O)CC(C)(C)CCl)CN1C1CC1	866943569	JLQBHHDZCQGDHM-GHMZBOCLSA-N	308.875	1.796	50	20	DDGD	
CCc1cccnc1C(=O)NNc1nc2ccccc2c(=O)n1C	766981873	IDZPBTLPYQYFKE-UHFFFAOYSA-N	323.356	1.648	50	20	DDGD	
C[C@]1(CCNCc2ccc(B(O)O)cc2)CC1(Cl)Cl	863890461	VRUAKEYETGSCTK-LBPRGKRZSA-N	302.010	1.430	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc(F)c(C#N)c1Cl	761827318	PULKETZGWNJISM-UHFFFAOYSA-N	312.688	1.157	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NC[C@H]2C[C@@H](O)C2)cc1	863180215	HJMYXVVCCJZCCT-ZKYXNYDBSA-N	300.358	1.879	50	20	DDGD	
C[C@@H](CC(F)(F)F)NC(=O)NNC(=O)c1cccc(C#N)c1	766607289	WBEWXCMNBVWPDS-QMMMGPOBSA-N	314.267	1.843	50	20	DDGD	
CC[C@H](CC1CCCCC1)C(=O)NNC(=O)CS(C)(=O)=O	863463520	LSQQZPPJZAAAHZ-GFCCVEGCSA-N	318.439	1.175	50	20	DDGD	
O=C(CCc1nnc(C2CCCC2)o1)NNC(=O)NC1CC1	760451078	YVIOBFQDOZWGIO-UHFFFAOYSA-N	307.354	1.153	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccccc1Cl)c1ccncc1	764581210	NWZHCLHXZBYNNE-GFCCVEGCSA-N	305.721	1.230	50	20	DDGD	
Cc1ncc(-c2ccc(NCc3ccccc3B(O)O)cc2)o1	864024871	HQONRDTVIHTXSA-UHFFFAOYSA-N	308.146	1.942	50	20	DDGD	
CCOc1ccc(C(=O)NN=C2CCN(C)C2=O)cc1OC	761766590	IEUHBUYYNUVYFT-UHFFFAOYSA-N	305.334	1.042	50	20	DDGD	
CN[C@H](C)CCNC(=O)NNC(=O)CCCc1ccccc1	1117966773	MJJATFCDOYWRPQ-CYBMUJFWSA-N	306.410	1.338	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@](C)(CC)OC)c1	874951201	BSLZEDNLHLRWHM-OAHLLOKOSA-N	305.403	1.801	50	20	DDGD	
C[C@@]1(CNC(=O)N2CCCN(C=O)CC2)C[C@@H]1Br	875758718	PLAYNSUZLAJHPP-JQWIXIFHSA-N	318.215	1.034	50	20	DDGD	
O=C(NN=C1CCCOCC1)c1csc(N2CCOCC2)n1	770591184	JGNFNKMHGUNACT-UHFFFAOYSA-N	324.406	1.266	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNC(=S)Nc1cccc(C)c1	873774044	DGTZIOVNHYJGHT-UHFFFAOYSA-N	324.406	1.447	50	20	DDGD	
CO[C@H](C(=O)NNc1nncc(N)c1Cl)c1ccccc1	1116514304	DMCMJLOWRZOVID-NSHDSACASA-N	307.741	1.543	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)N[C@@H]1CC12CCC2	876425392	BAODCKCZEHVLCQ-ZWNOBZJWSA-N	321.352	1.866	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H](C)c2noc(C)n2)c1	1118807932	MTVTUPGUVNHENY-SSDOTTSWSA-N	309.351	1.453	50	20	DDGD	
Cn1cc(C#N)c(NC(=O)NC[C@@]2(C)C[C@H]2Br)n1	878875363	DXHGOUVQYBAAIW-LDYMZIIASA-N	312.171	1.587	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)C(C)(C)c1ccccc1	875224531	YZWSBHSIYBWWLV-LLVKDONJSA-N	315.377	1.720	50	20	DDGD	
CCC(=NNC(=O)COCCOC)c1ccc(Cl)c(N)c1	872400580	MTEJVERLGHJPJJ-UHFFFAOYSA-N	313.785	1.816	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cncc2ccccc12	772296694	QSAIKIJDXJIJOV-SNVBAGLBSA-N	315.329	1.338	50	20	DDGD	
Cc1cc(=NNC(=O)NCC(C)(C)N2CCC[C@@H](C)C2)cc[nH]1	875142946	TWHSHQIGUPYBOM-CYBMUJFWSA-N	319.453	1.949	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)c1cnn(-c2ccccc2)c1	770605513	AHKOAUYVVMYRBT-UHFFFAOYSA-N	322.372	1.932	50	20	DDGD	
NC(=O)N1CCC[C@@H](C(=O)NNc2cc(Cl)ccc2F)C1	871272186	LNYMKFOVARWUFE-MRVPVSSYSA-N	314.748	1.713	50	20	DDGD	
CCCC1(C(=O)NNc2ncc(C(=O)OCC)c(C)n2)CC1	778422796	VVLSCFYXTRRKTB-UHFFFAOYSA-N	306.366	1.985	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNC(=O)CC1CCCC1	878577034	FXFGAASETNNKJY-ZUZCIYMTSA-N	304.394	1.803	50	20	DDGD	
CCCCC[C@H](O)C(=O)NNC(=O)c1nc2ccccc2s1	874914092	KXHVQQKMICDAMZ-NSHDSACASA-N	321.402	1.999	50	20	DDGD	
COCC(=O)NNC(=O)N[C@@H](C1CCCCC1)C(F)(F)F	775994607	LSACRSAPALEEBZ-JTQLQIEISA-N	311.304	1.474	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)COc2cccnc2)c1	776533626	NVRBPCFRRVPUMY-UHFFFAOYSA-N	321.358	1.007	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1cnc2n(c1=O)CCS2	771688715	OVLPGHBXFVWHOD-UHFFFAOYSA-N	320.349	1.553	50	20	DDGD	
Cc1cc(C)c(OCC(=O)NNC(=O)C2CCOCC2)c(C)c1	883059346	UAUFTQKYQFAERO-UHFFFAOYSA-N	320.389	1.565	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cnn(CC(C)C)c1CC	887145985	ZHWHJNZSKIDQSN-UHFFFAOYSA-N	304.394	1.666	50	20	DDGD	
Cc1c(C(=O)NNc2ccnc(Br)c2)nnn1C	771535002	MRAJLQPGTUCDAO-UHFFFAOYSA-N	311.143	1.038	50	20	DDGD	
CCn1cc(-c2n[nH]cc2C(=O)NNC(=O)C2CCCC2)cn1	778459752	YFJMFRTZGSAELN-UHFFFAOYSA-N	316.365	1.244	50	20	DDGD	
COCC[C@H](NC(=O)CCCC[C@H]1CCSS1)C(N)=O	775975800	KVWGUEKPCAOWPX-QWRGUYRKSA-N	320.480	1.707	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2cc(Br)ccc2F)C1	885147731	MZVJEDIERIUZGQ-MRVPVSSYSA-N	316.174	1.983	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)C2CCOCC2)c1	883059277	RIFRSKMGJUVHCT-GFCCVEGCSA-N	306.362	1.336	50	20	DDGD	
CCNC(=O)N(C)N=Cc1c[nH]ccc1=NC(=O)C(C)(C)C	783863164	JNJSBDNJCXPZLJ-UHFFFAOYSA-N	305.382	1.483	50	20	DDGD	
COc1ccccc1-c1nn(C)cc1C(=O)NN=c1cc[nH]cc1	780761196	KFOHTXCXAATIGK-UHFFFAOYSA-N	323.356	1.670	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)C2CCOCC2)CCc2ccccc21	883071678	JOBMCIKYWHODIL-QGZVFWFLSA-N	302.374	1.465	50	20	DDGD	
CCOc1ccc(C(C)(C)C(=O)NNC(C)=O)cc1OCC	783646274	PLDJUQDPGQKAAI-UHFFFAOYSA-N	308.378	1.929	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCOc2ccccc21)C1CCOCC1	883062621	KSUQRWAUZICMLV-ZDUSSCGKSA-N	304.346	1.127	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1C#N)c1nccnc1C	783510064	UFDGXGNLZIDCGC-UHFFFAOYSA-N	309.329	1.576	50	20	DDGD	
CC(C)[C@H]1C[C@H](CC(=O)NNc2ncnc3[nH]cnc23)CCO1	782118159	RTJGUMYZGUHYDV-GHMZBOCLSA-N	318.381	1.637	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C1COCc2ccccc21	782220717	WVABYIREOBEMCV-UHFFFAOYSA-N	313.313	1.060	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccccc2)CC1)C1CCOCC1	883065218	DRGGRRMHLLBGCC-UHFFFAOYSA-N	302.374	1.583	50	20	DDGD	
Cc1ncccc1CCNC(=O)NNC(=O)CC(F)(F)F	898933592	DABBKXYUUJZZLQ-UHFFFAOYSA-N	304.272	1.215	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccn(CC(F)F)n1	899996339	SVSRFWXRXUXNQK-UHFFFAOYSA-N	305.354	1.056	50	20	DDGD	
Cn1nc([C@H]2CCCO2)cc1NC(=O)NNc1cnccn1	788724004	BFXZVHKLRWYHRB-SNVBAGLBSA-N	303.326	1.210	50	20	DDGD	
CC[C@@H](C)n1ncc(NC(=O)C(=O)NNC(=O)CC(C)C)c1C	792269348	QUSWFBCGWDIBCP-SNVBAGLBSA-N	323.397	1.295	50	20	DDGD	
Cc1nccc(NC(=O)NNc2cccc(F)c2[N+](=O)[O-])n1	790525817	JZZYPWPBJSCGRK-UHFFFAOYSA-N	306.257	1.981	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCOCc2ccccc2)n1	794072875	RKGDOSHUKJBPTP-UHFFFAOYSA-N	313.357	1.758	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2cc(=O)c(OC)co2)c1	798982777	PBOFDUPJSDXRJJ-UHFFFAOYSA-N	308.265	1.553	50	20	DDGD	
CC(=O)NNC(=O)c1cccnc1OCc1ccccc1F	790103869	MQHRNEQCCJODCQ-UHFFFAOYSA-N	303.293	1.581	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1)C(C)C	798308520	FQCGFVNDWXTHAX-CYBMUJFWSA-N	321.377	1.060	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc(F)cc3nc[nH]c23)n1	794077699	ZDHQVTZXINFUAM-UHFFFAOYSA-N	313.292	1.480	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CO[C@H]2CCC[C@@H](C)C2)n1	794081298	BHXXGOGCMTTWFL-YPMHNXCESA-N	305.378	1.746	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@H]2CCCOC2)cc1	1321162291	OZGMWCZDPOSLOX-LLVKDONJSA-N	307.350	1.066	50	20	DDGD	
O=C(NC[C@H]1CCCNC1)NNC(=O)c1ccccc1Cl	1325324298	OIJDLDRWRKCKNP-JTQLQIEISA-N	310.785	1.284	50	20	DDGD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NNC(=O)CO)c1	1320087632	YBJQXHKWEKWJCC-UHFFFAOYSA-N	321.764	1.501	50	20	DDGD	
Cc1ncccc1CC(=O)NNc1nc2ccccc2c(=O)n1C	1322951732	VHEFLWJWSXKWRM-UHFFFAOYSA-N	323.356	1.323	50	20	DDGD	
COc1ccc(C(=O)NN[C@H](C(N)=O)c2ccc(F)cc2)cc1	1325888247	AABUZSXRKVPING-AWEZNQCLSA-N	317.320	1.295	50	20	DDGD	
CC(C)SCCNC(=O)NNc1nncc(N)c1Cl	1258373572	ITHQYCJVIVIAGX-UHFFFAOYSA-N	304.807	1.480	50	20	DDGD	
O=C(NNC(=O)N1CC[C@@H](c2ccccc2F)C1)c1cn[nH]c1	1261792039	KBZUGHSZVPNSQA-SNVBAGLBSA-N	317.324	1.393	50	20	DDGD	
Cc1ccc(C(=O)NCC(=O)NNc2cccc(Cl)n2)s1	1261257971	MHZVUHFWCDKEEL-UHFFFAOYSA-N	324.793	1.978	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNc1ncc(Br)cn1	1262630935	OTTQZDVUYXXANX-RKDXNWHRSA-N	315.171	1.497	50	20	DDGD	
Cc1nc([C@H](C)NC(=O)NNC(=O)c2ccc(Cl)cc2)no1	1346695163	HWTNTHTYWRPHDB-ZETCQYMHSA-N	323.740	1.737	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2noc3c2COCC3)o1	1348051517	IKDAVCOFKLPETJ-UHFFFAOYSA-N	317.305	1.487	50	20	DDGD	
C[C@@H]1Nc2ccnn2[C@H](C)[C@H]1CCC(=O)NNc1cccnn1	1263774921	OFEFZNTXUSFPHW-TUAOUCFPSA-N	315.381	1.588	50	20	DDGD	
O=C(O)C1(CNS(=O)(=O)c2ccc(CCl)cc2)CC1	1601711723	ZQQIGOOSVPGRIF-UHFFFAOYSA-N	303.767	1.569	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)CN(C)CC(C)(C)C	1607140336	QLPNLNHHJZUKHH-UHFFFAOYSA-N	323.393	1.814	50	20	DDGD	
CO[C@](C)(C(=O)O)C(=O)NNc1cccc(Cl)c1Cl	1604463238	CRJLEBBDUSUSDZ-NSHDSACASA-N	307.133	1.926	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2cc(C(=O)O)c(Cl)o2)CC1	1608179247	SNXDDERBUHJJQS-UHFFFAOYSA-N	316.722	1.476	50	20	DDGD	
C=CC[C@@H](NNC(=O)[C@@H](C)Oc1cccc(Cl)c1)C(=O)O	1602843385	XXUQUTJSTQBRHB-BXKDBHETSA-N	312.753	1.757	50	20	DDGD	
CC(C)(C(=O)O)C(=O)NNC(=O)c1cc(-c2ccccc2)on1	1602836646	BNJNQXUZUNCKKM-UHFFFAOYSA-N	317.301	1.213	50	20	DDGD	
Cc1ccc(NNC(=O)NCC2(CC(=O)O)CCCC2)nn1	1600461442	LHOBTMJLYSMTFY-UHFFFAOYSA-N	307.354	1.446	50	20	DDGD	
COc1cc(C=NNC(=O)NCC(=O)O)ccc1OC(F)F	1610293603	HXQTXQAZWNUYIM-UHFFFAOYSA-N	317.248	1.014	50	20	DDGD	
O=C(O)c1cncc(C(=O)NNc2ccc(F)c(F)c2F)c1	1610862428	VYAXSPZLCQGWEF-UHFFFAOYSA-N	311.219	1.954	50	20	DDGD	
CCc1cnc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)s1	1549319076	GGJPTVRODUVSPC-JQWIXIFHSA-N	308.407	1.019	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2ccc(CC(=O)O)c(F)c2)CC1	1610620011	GSZCQQXMDPAUAF-UHFFFAOYSA-N	324.333	1.297	50	20	DDGD	
O=C(NN=C1CCCc2cccnc21)[C@@H]1CN2CCC[C@H]2CO1	1549321056	PPHNYURZMSIKSZ-ZFWWWQNUSA-N	314.389	1.101	50	20	DDGD	
COCCN(CC(C)C)NC(=O)c1cn2cc(CN)ccc2n1	1579025771	JIKQIEYMOWBZBC-UHFFFAOYSA-N	319.409	1.042	50	20	DDGD	
CC(C)(C)OC(=O)c1cccnc1NNC(=O)[C@]1(C)CCCN1	1575244982	AZOUYXICVDIXGA-INIZCTEOSA-N	320.393	1.622	50	20	DDGD	
C[C@H](N)c1nc(C(=O)NNC(=S)N[C@H](C)C2CC2)cs1	1576175302	GUWLLOZWRUKGOP-NKWVEPMBSA-N	313.452	1.070	50	20	DDGD	
C=CCC1(C(=O)NNC(=O)NC2CCNCC2)CCCCC1	1574897826	YLRGUGRMBNLTGK-UHFFFAOYSA-N	308.426	1.595	50	20	DDGD	
NCCCCCC(=O)NNC(=O)c1coc2cc(O)ccc12	1580292892	YZOSCGOZAVWCPT-UHFFFAOYSA-N	305.334	1.419	50	20	DDGD	
O=C(C[C@@]1(O)CCCNC1)NNc1ccc(F)cc1Cl	1580498229	VOIZGRBMIYYHSP-ZDUSSCGKSA-N	301.749	1.427	50	20	DDGD	
CO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846389198	OHDQNELNWKIRFE-QMMMGPOBSA-N	309.193	1.028	50	20	DDGD	
COCC1(C(=O)N2CC3(CCCN3C(=O)[C@H](F)Cl)C2)CC1	1843362432	UVYSEGKHQKSJDT-JTQLQIEISA-N	318.776	1.151	50	20	DDGD	
C[C@@H]1CO[C@@H](C(=O)N(c2nc(CC(=O)O)cs2)N(C)C)C1	1594586165	HMYQGZJUQLHIDV-WCBMZHEXSA-N	313.379	1.005	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C12CC(C1)C2	1593160835	UGCGVSKNTQCWRO-UHFFFAOYSA-N	305.729	1.158	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)[C@@H](F)Cl)C3)O1	1843880958	ZDSIVSWJMIRQGX-GMTAPVOTSA-N	318.776	1.292	50	20	DDGD	
C[C@@H]1CCc2[nH]nc(C(=O)NNc3ccc(C(=O)O)cn3)c2C1	1594448000	MBEZIBFGXQSVGB-MRVPVSSYSA-N	315.333	1.385	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNc1ccc(CC(=O)O)cc1	1597723322	ZOLWDIRIIYYXGT-UHFFFAOYSA-N	302.334	1.367	50	20	DDGD	
CN1CCCC[C@@H](C(=O)NNc2ccc(F)c(C(=O)O)c2)C1=O	1598597313	BLRVKZULUASMBM-JTQLQIEISA-N	323.324	1.226	50	20	DDGD	
O=C(COc1ccc(F)cc1F)NNc1ncccc1C(=O)O	1594702637	VHPVZZIKYJDGHL-UHFFFAOYSA-N	323.255	1.580	50	20	DDGD	
O=C(O)CCCNC(=O)NNc1cc(C(F)(F)F)ccn1	1595050271	PXLYHIXNELEZOA-UHFFFAOYSA-N	306.244	1.591	50	20	DDGD	
O=C(O)CC1(C(=O)NNc2ncc(F)cc2F)CCOCC1	1594976174	CEPXSJKNVCAKQN-UHFFFAOYSA-N	315.276	1.074	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C(=O)O)C2CCCC2)cc1O	1594346797	IIDYZWWAUWFEQW-CYBMUJFWSA-N	320.345	1.353	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NN=Cc1cc(Cl)ncc1C(=O)O	1776101854	APUHZDWRDUZXFB-WPRPVWTQSA-N	311.725	1.308	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cccc(F)c1C(=O)O	1776029427	QMVTYKSZUODSGU-UHFFFAOYSA-N	322.321	1.635	50	20	DDGD	
O=C(O)CCOc1cccc(C=NNC(=O)c2cn[nH]c2)c1	1776093923	SARJQSFZXZXMLP-UHFFFAOYSA-N	302.290	1.027	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(C)o2)c1	17058522	YDAWUEQMOLCTDC-UHFFFAOYSA-N	304.302	1.680	50	20	DDGD	
COCc1ccc(C(=O)NNC(=O)c2ccccc2O)cc1	17574654	ODVZEEIGOOKJHL-UHFFFAOYSA-N	300.314	1.613	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccc([N+](=O)[O-])cc1	161408192	ZDKKIVPLLRIPGK-UHFFFAOYSA-N	304.266	1.093	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cncc(OC(C)C)c2)o1	151194252	JPLOUBKPYPYSOY-UHFFFAOYSA-N	303.318	1.845	50	20	DDGD	
CCC(=O)Nc1ccc(NC(=O)NNc2ncccn2)cc1	156113997	UIZQUGJXOOISPB-UHFFFAOYSA-N	300.322	1.974	50	20	DDGD	
O=C(C[C@@H]1C=CCC1)NNc1nccc(N2CCOCC2)n1	155493947	CDTBPFYILXHNHH-GFCCVEGCSA-N	303.366	1.113	50	20	DDGD	
COc1ccccc1CN(C)S(=O)(=O)CBr	126632250	OWLCSFDSPDOSDU-UHFFFAOYSA-N	308.197	1.809	50	20	DDGD	
CN(C)CC1CN(S(=O)(=O)c2ccc(CCl)cc2)C1	382711109	FEYZXFSNKJEHGF-UHFFFAOYSA-N	302.827	1.608	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cccc(F)c1	55351972	BQDYOPVSNGJTNI-UHFFFAOYSA-N	302.305	1.838	50	20	DDGD	
COC(=O)NCCC(=O)NNc1ccccc1C(F)(F)F	107425705	DQDKMCLDGRBYBK-UHFFFAOYSA-N	305.256	1.895	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CCc1c(C)nn(C)c1C	53954348	SWJLMUVIUZBGHY-UHFFFAOYSA-N	314.389	1.739	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)[C@@H](C)OC)cc1OC	55404461	BBUFXTILPYKHMV-LLVKDONJSA-N	324.377	1.670	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]1C1CC1)c1cc(Br)c[nH]1	177655513	HLWIOVJRURWRGX-IUCAKERBSA-N	312.167	1.584	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnc(OCC)c(Cl)c1	112404695	YJLGJRQAVXJOFD-UHFFFAOYSA-N	314.798	1.429	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NCC(C)(C)CC(C)C)n1	175917723	SGVDKOKQWXLKPP-UHFFFAOYSA-N	323.441	1.903	50	20	DDGD	
Cn1cc(CC(=O)NNC(=O)NCc2ccc(Cl)cc2)cn1	112729759	GXLNVEKYBMCQKA-UHFFFAOYSA-N	321.768	1.147	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)c1ccc2[nH]nnc2c1	177733984	FORQVSMMGCYYIQ-UHFFFAOYSA-N	321.296	1.779	50	20	DDGD	
O=C(NNc1cnccn1)c1cccnc1OCC(F)(F)F	114881505	MMOSEIWCYQXNJO-UHFFFAOYSA-N	313.239	1.570	50	20	DDGD	
Cc1ccccc1[C@@H](C)CC(=O)NNC(=O)C(=O)N1CCCC1	116184896	REIXGWSWYQDDDS-ZDUSSCGKSA-N	317.389	1.258	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC(F)(F)F)c(OC)c1	60415302	IADMQFAIZFNSKT-UHFFFAOYSA-N	321.255	1.210	50	20	DDGD	
CCCOc1ncccc1CNC(=O)NNc1ncccn1	64766798	UOQOGVXBPLTWQR-UHFFFAOYSA-N	302.338	1.487	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C\c1ccc(N2CCCC2)nc1	176952551	YGHCOIYZXGCRCJ-GRRFOWRYSA-N	314.389	1.740	50	20	DDGD	
Cc1ccc(CCCCC(=O)NNC(=O)C(=O)NC2CC2)cc1	63636840	JOZUJDSBIWMSOH-UHFFFAOYSA-N	317.389	1.134	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCC(=O)c1cccs1	65212107	LTMCGYVFXBVIFC-UHFFFAOYSA-N	313.379	1.078	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1n[nH]c2ccc([N+](=O)[O-])cc12	123101662	BURAFUXVUYELCQ-UHFFFAOYSA-N	317.240	1.157	50	20	DDGD	
CC(C)(C)CC(=O)NCC(=O)NNc1nnc(C2CC2)s1	184532844	QJRGDPQFFCGXFJ-UHFFFAOYSA-N	311.411	1.411	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC2CCN(C)CC2)cc1	79205944	FMWHQXKGNRMJAN-UHFFFAOYSA-N	304.394	1.287	50	20	DDGD	
Cc1cc(NNC(=O)CC2CCC3(CC2)OCCO3)ncn1	188385310	SDZMYBCKCAGMFM-UHFFFAOYSA-N	306.366	1.552	50	20	DDGD	
C=C(C)CN(C)C(=O)NNC(=O)Cn1ccc2ccccc21	181023914	BBTCRVDBUMFVGE-UHFFFAOYSA-N	300.362	1.890	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cccc(C(F)(F)F)c1F	79685671	DMHIWOOQGOXZCI-VIFPVBQESA-N	320.242	1.785	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1cc(F)c(F)c(F)c1	181406659	HCANQJFOOVAHEA-UHFFFAOYSA-N	310.235	1.581	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NNC(=O)CNc1ccc(C)cc1C	220651218	LUEMHHMSIKDVAT-LCYFTJDESA-N	316.361	1.307	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc([N+](=O)[O-])ccc2O)n1	194742777	BCVNEAZMAOUDRZ-UHFFFAOYSA-N	303.278	1.464	50	20	DDGD	
Cn1c(CNC(=O)NNC(=O)C(C)(C)C)nc2ccccc21	193318748	NMXOCCHWVYXGFL-UHFFFAOYSA-N	303.366	1.450	50	20	DDGD	
O=C1CCCC[C@@H](C(=O)NNC(=O)c2cc3ccccc3o2)N1	194270978	PIJOAROFRCOXKT-NSHDSACASA-N	315.329	1.253	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1cn(C)nc1-c1ccncc1	195319710	MTVNLMKJKDAAOA-MDWZMJQESA-N	317.374	1.238	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)C2CCN(C3CC3)CC2)cc1	194474169	GPDZYUJWDFJADJ-UHFFFAOYSA-N	312.373	1.194	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1cc(Cl)cc([N+](=O)[O-])c1	134511432	IOBWOVWXWOPHDD-UHFFFAOYSA-N	308.681	1.651	50	20	DDGD	
Cc1c(F)cccc1NC(=O)C(=O)NNc1ccnc(F)c1	190298878	ZAQAKHMJYZKNEL-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cc1cccc(F)c1F)C1CC1	88280866	LYINYJRYKJXZIT-MRVPVSSYSA-N	313.373	1.801	50	20	DDGD	
O=C(NCC1CC1)C(=O)NNc1cc(C(F)(F)F)ccc1F	191937917	SVSQELLXDZKJIX-UHFFFAOYSA-N	319.258	1.814	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNC(=O)NC2CCCCC2)[nH]n1	192722252	UZIYDGKWIOPPHR-UHFFFAOYSA-N	307.398	1.984	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C[C@@H](C)C2CC2)c1	142143863	QXJBTXGKFQWKJQ-SNVBAGLBSA-N	306.362	1.901	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CSCC(F)(F)F)c(O)c1	90369030	MUVUFRKMQVLDFJ-UHFFFAOYSA-N	322.308	1.757	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H](C)[C@H]1CCOC1	266450232	AWSXRPZUUQWGJK-MNOVXSKESA-N	307.350	1.064	50	20	DDGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCS(=O)(=O)CC1	267356804	HDRMCITWUWSDBG-PQMHYQBVSA-N	307.331	1.190	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)no1	265018412	CCRRVPTYYGCGPC-SNVBAGLBSA-N	321.308	1.280	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccccc1CC(=O)OC(C)(C)C	274150303	DLBLCIGAEXRHHC-UHFFFAOYSA-N	307.350	1.743	50	20	DDGD	
COc1ccc(S(=O)(=O)NCCSSC)cc1OC	284101005	BEOWKGBLWPARMA-UHFFFAOYSA-N	323.461	1.993	50	20	DDGD	
O=C(CCOCC(F)(F)C(F)F)NNc1cccc(F)n1	286140674	CBPUTWYUDMBNNZ-UHFFFAOYSA-N	313.226	1.971	50	20	DDGD	
COC1(C(=O)NNc2ccc(C(F)(F)F)nn2)CCOCC1	285680468	PYTNDBIIRBGKFW-UHFFFAOYSA-N	320.271	1.134	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H](c2ccccc2)OC1=O)C1CCC1	289525523	PPQDNMOJLTUQIT-CHWSQXEVSA-N	302.330	1.238	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCCCN1CCOCC1	283102875	WOWDMSQMYBGBIE-UHFFFAOYSA-N	320.437	1.906	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NC[C@@H]1COc2ccccc21	289418340	PKKXDLQHONUVHL-LLVKDONJSA-N	305.378	1.929	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNC(=O)c1ccc(C)cc1O	290415197	QLBMPMVGTYDYAC-JTQLQIEISA-N	308.334	1.051	50	20	DDGD	
COCCOCc1ccc(C(=O)NNC(=O)CC(C)C)cc1	290916694	GZSQOTZANFDFSW-UHFFFAOYSA-N	308.378	1.657	50	20	DDGD	
CCc1c(C(=O)NNC(=O)CC2CC2)cnn1-c1ccccn1	294257389	UAMAXOXGIIMSFM-UHFFFAOYSA-N	313.361	1.391	50	20	DDGD	
CCCN(NC(=O)CCCn1cncn1)C(=O)OC(C)(C)C	804592839	JPARUCWIOSZTQZ-UHFFFAOYSA-N	311.386	1.737	50	20	DDGD	
O=C(C[C@@H]1CCCOC1)NNc1ccc2c(=O)[nH]ccc2c1	803439919	NLFMBLGEWCSRBS-NSHDSACASA-N	301.346	1.788	50	20	DDGD	
Cc1ccc2c(c1)[C@@H](NC(=O)NNC(=O)[C@@H]1CCCO1)CCC2	291855431	IHXMJKSRBDHFMC-GJZGRUSLSA-N	317.389	1.882	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNC(=O)Nc1ccc(OC)cc1	802052101	FUVVSUJMAXGMPG-LLVKDONJSA-N	309.366	1.911	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ncoc2C2CC2)c(O)c1	294995702	ZLRBZXBZRXQVQE-UHFFFAOYSA-N	301.302	1.641	50	20	DDGD	
CCOCC(C)(C)CNC(=O)NNc1ncncc1Cl	808359549	BCNPCBJPIDPFCT-UHFFFAOYSA-N	301.778	1.819	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)C(=O)Nc2ccccn2)[C@@H]1SC	807977482	OQALCURUAASUDS-PWSUYJOCSA-N	322.390	1.033	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H]1CCn2ccnc2C1	805378112	NAPNAIOHEPQQTM-NSHDSACASA-N	315.333	1.805	50	20	DDGD	
Cn1ccc2cccc(NC(=O)NNC(=O)[C@@H]3CCCO3)c21	297830537	NILGEZSBCVWMOV-LBPRGKRZSA-N	302.334	1.510	50	20	DDGD	
COC(=O)c1c(F)ccc(NC(=O)NNC(=O)C2CC2)c1F	290482657	NXDYKZIWKTVRRX-UHFFFAOYSA-N	313.260	1.314	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21	294092528	IPRIPJQBUNNGBX-NSHDSACASA-N	305.309	1.199	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H](C)CN2CCCC2=O)cc1	297388023	NNSZVHDWEIFLPA-GFCCVEGCSA-N	320.393	1.722	50	20	DDGD	
O=C(NNC(=O)c1cc([N+](=O)[O-])n[nH]1)Nc1ccc(Cl)cc1	803393891	BJXWWCUTCJLJRH-UHFFFAOYSA-N	324.684	1.438	50	20	DDGD	
CCc1nnc(CNC(=O)NNc2cncc(Cl)n2)s1	291583685	ZCTDFFQRHRKPMH-UHFFFAOYSA-N	313.774	1.370	50	20	DDGD	
COCCOCc1ccc(C=NNC(=O)c2ccc[nH]2)cc1	807959833	BLJFXJSSIVDNDB-UHFFFAOYSA-N	301.346	1.942	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)Nc1cccc2c1COC2=O	808909819	JUZMMXJJBKINSB-UHFFFAOYSA-N	324.300	1.548	50	20	DDGD	
O=C(NNc1ccncn1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2	296461327	LAMGHUCZSDBZML-UHTWSYAYSA-N	303.366	1.450	50	20	DDGD	
CCC[C@H](C)N(C)CC(=O)NNC(=O)Cc1ccccc1C	297941117	RYDBYLXSABEJBG-AWEZNQCLSA-N	305.422	1.805	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)[C@@H]1CCCCO1)Oc1ccccc1	296435602	NXKALFRTUJRKCC-JSGCOSHPSA-N	321.377	1.353	50	20	DDGD	
CC(=NNC(=O)c1sc(N)nc1C)c1csc(C(=O)O)c1	814794230	CCPCGKCVGDDZDW-UHFFFAOYSA-N	324.387	1.947	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)c2cccc([N+](=O)[O-])c2)C1	819800936	GDFRCYOPJJBECG-UHFFFAOYSA-N	305.290	1.654	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)N[C@@H]1CCN(CC2CC2)C1	814303682	IEUMBXZSLLCZIJ-LLVKDONJSA-N	309.801	1.845	50	20	DDGD	
COc1ccc(CCC(=O)NN=C(C)c2cnnn2C)cc1	814813756	YCYBATIURRUNLX-UHFFFAOYSA-N	301.350	1.297	50	20	DDGD	
CCOc1ccc(NNC(=O)C(=O)Nc2nocc2C)cc1	815816308	QOKWQCBYGQADDW-UHFFFAOYSA-N	304.306	1.464	50	20	DDGD	
COCC1(CNC(=O)NNc2cccc(C#N)c2)CCOCC1	813773161	HWQOAUYEHJQIIL-UHFFFAOYSA-N	318.377	1.628	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CC[C@@H]2CNc3cccc1c32	814900987	RESKYUGTFXAQMI-SECBINFHSA-N	302.334	1.166	50	20	DDGD	
COc1ccc(C(=O)NNc2ncncc2F)cc1[N+](=O)[O-]	817081421	AFUCMUFAIGEMSB-UHFFFAOYSA-N	307.241	1.289	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21	816829422	OYHBMFSVGZIPAU-YGRLFVJLSA-N	312.373	1.845	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1nc(Br)ccc1F	819118267	PNWZZRWHKDHMIV-UHFFFAOYSA-N	316.130	1.544	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2ncncc2F)c1Cl	815765908	HZWVPXHWRUBUQD-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc2c(c1)C(C)(C)CO2	810549801	QBBXMKHSOIUAJA-UHFFFAOYSA-N	305.403	1.652	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@H](CC(C)C)C(=O)O)n1	818623655	LOEWBPJYECVVJN-NSHDSACASA-N	309.370	1.466	50	20	DDGD	
CC(=O)C1(C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)CC1	814716266	GDIQLPGYJMZKKH-UHFFFAOYSA-N	312.329	1.207	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=Cc1c[nH]c(C(=O)O)c1	814723809	DBTSJWIBULPPGX-UHFFFAOYSA-N	315.329	1.804	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)NCCc1cccs1)n1cccn1	819164529	SMXVQJYXABWIFT-NSHDSACASA-N	321.406	1.469	50	20	DDGD	
Cc1cc(C(=O)NN=C2CC[C@@H](C(=O)O)C(C)(C)[C@H]2C)n[nH]1	814876364	UYRBEGMROVTCER-UWVGGRQHSA-N	306.366	1.961	50	20	DDGD	
Cn1cc(C(=O)NNc2cc(Cl)nc(N)n2)c(C2CC2)n1	813514853	KRWKPIPDDILNKC-UHFFFAOYSA-N	307.745	1.080	50	20	DDGD	
O=C(CSc1cccc[n+]1[O-])NNc1cccc(Cl)n1	817007367	YRARMUGFASZROO-UHFFFAOYSA-N	310.766	1.604	50	20	DDGD	
O=C(CCc1cccnc1)NNC(=O)Cn1ccc2ccccc21	725897178	YMRFWCIVHNDQPW-UHFFFAOYSA-N	322.368	1.817	50	20	DDGD	
CCN1CCOC[C@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	819746790	GBRRRBQXRNFUKT-VIFPVBQESA-N	319.192	1.552	50	20	DDGD	
CCN(CCNC(=O)NNc1cccc([N+](=O)[O-])c1)C(C)C	726713909	NQYJTARUUQRJSM-UHFFFAOYSA-N	309.370	1.951	50	20	DDGD	
CCO[C@@H]1C[C@H](N[C@H](C)C(=O)NNC(=O)CC)C12CCCC2	829635333	WAKYPEULULREBE-FRRDWIJNSA-N	311.426	1.260	50	20	DDGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2cn(C)nn2)cc1	490664606	SFSVPUVFQBIMHD-YRNVUSSQSA-N	310.317	1.319	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1Br)[C@@H](O)C1CC1	828764176	UWZIWKCYIFKIJI-JTQLQIEISA-N	321.121	1.941	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cn2ccnc2C(C)C)n1	822590791	RSJUUKACTROHOU-UHFFFAOYSA-N	301.350	1.171	50	20	DDGD	
Cc1cc(C=NNC(=O)CNC(=O)OC(C)(C)C)ccc1C#N	497033069	BCKMBWBUBSIUGI-UHFFFAOYSA-N	316.361	1.842	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)Cc2cccnc2)c1	728799380	RQIHCAFQJANZEV-UHFFFAOYSA-N	300.387	1.950	50	20	DDGD	
CC(C)n1nccc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	824377782	NBBYYXVACDVPIW-UHFFFAOYSA-N	312.337	1.401	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1cccc(Br)c1	496942497	KLQOTHNJUSWBAG-UHFFFAOYSA-N	323.168	1.341	50	20	DDGD	
CCN(CC)c1ccc2cc(C(=O)NNC(C)=O)c(=O)oc2c1	822164277	UELUCGBKHCUAJE-UHFFFAOYSA-N	317.345	1.420	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)/C=C\c1ccccc1OC(F)(F)F	823907975	QYHXAJYXCNOMNE-GQYWMQPJSA-N	318.295	1.942	50	20	DDGD	
CCC(=NNC(=O)OC)c1ccccc1OCC(=O)N(C)C	495660061	WJLNYCMGEUWKAB-UHFFFAOYSA-N	307.350	1.624	50	20	DDGD	
O=C(C[C@@H](n1cccn1)C(F)(F)F)NNc1ncccn1	820934626	GCRGEDMNKSZCIR-MRVPVSSYSA-N	300.244	1.310	50	20	DDGD	
CCOC(=O)NNC(=O)c1sc(-c2ncccn2)nc1C	491138304	AANIETGWDBYFKT-UHFFFAOYSA-N	307.335	1.299	50	20	DDGD	
CCN(CCO)NC(=O)Cc1ccc(-n2nc(C)cc2C)cc1	823846711	MRCFSWYJVQMKTI-UHFFFAOYSA-N	316.405	1.377	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)O)c(-c2ccc(-c3nn[nH]n3)cc2)n1	826360167	ZMLHQPBUSAIYGF-IZZDOVSWSA-N	321.300	1.259	50	20	DDGD	
COC(=O)Nc1cccc(NC(=O)NNc2ncccn2)c1	496938941	OQMIVNNEHYLAHR-UHFFFAOYSA-N	302.294	1.804	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(Br)cnc1C	497061743	HRKLJMIBRODFAM-UHFFFAOYSA-N	317.143	1.935	50	20	DDGD	
CCN(CCO)NC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C	823860640	WTWRQXQBXFBJJH-LBPRGKRZSA-N	315.414	1.121	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	823884752	IGYCKFQEIITXIA-UHFFFAOYSA-N	322.148	1.861	50	20	DDGD	
O=C(C[C@H]1CCCc2ccccc21)Nc1cccc(B(O)O)c1	584909253	BNWSVGCALXXTRE-CQSZACIVSA-N	309.174	1.815	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1ccc(F)cc1F	825808472	YJJWGTCNZHPENK-GZMMTYOYSA-N	313.304	1.220	50	20	DDGD	
CCc1c(NCc2ccc(B(O)O)o2)cnn1C1CCCC1	585037550	BLHRQQAZCWZQHN-UHFFFAOYSA-N	303.171	1.446	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)C)cc1-n1cccc1	733359702	NWWWQMCSUFBJPQ-UHFFFAOYSA-N	300.362	1.108	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CN(C(=O)OC(C)(C)C)C1CC1	493995605	QKENAHAORJGROB-UHFFFAOYSA-N	314.386	1.125	50	20	DDGD	
O=C(/C=C\c1ccc[nH]1)NNC(=O)Cn1cnc2ccccc21	493687282	OPQAHFKXGQMDNO-FPLPWBNLSA-N	309.329	1.225	50	20	DDGD	
COC(=O)COc1ccccc1C=NNC(=O)[C@@H]1CCO[C@@H]1C	901259357	REXZHBGQDCVKPL-DGCLKSJQSA-N	320.345	1.114	50	20	DDGD	
COCCSc1ccc(NCc2ccccc2B(O)O)cc1	585016622	SPEIMNVUJDOYGG-UHFFFAOYSA-N	317.219	1.717	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(SC)ccc1O	823815950	NCEJGXQCFZRTEU-UHFFFAOYSA-N	313.379	1.095	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)/C(C#N)=C/c1cnn(C)c1	491044890	DGFSISLPLUMDAW-AEIXLSSFSA-N	300.362	1.424	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2cnc3n2CCC3)o1	824640029	XVHBHFOACSLPCV-UHFFFAOYSA-N	300.322	1.569	50	20	DDGD	
CS[C@@H]1CCCC(=NNC(=O)[C@@H](C)CN2CCOCC2)C1	901155042	JIXBJHIFOKDECL-GXTWGEPZSA-N	313.467	1.733	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2ccc(C(=O)NC3CC3)cc2)cn1	735413192	HNPJCXIFLVURLE-UHFFFAOYSA-N	311.345	1.076	50	20	DDGD	
Cc1ccc([C@@H](C)N(C)C(=O)c2ccc(B(O)O)cc2)c(C)c1	584928077	NCRXFEVBJFLVPE-CQSZACIVSA-N	311.190	1.816	50	20	DDGD	
OB(O)c1ccc(CNCC2CCC(F)(F)CC2)c(F)c1	585041583	FBHPQUJZDDEXAT-UHFFFAOYSA-N	301.117	1.421	50	20	DDGD	
COc1cccc(NCC(=O)NN=CCCc2cnoc2)c1	834933717	QIBWSANWGLOWTN-UHFFFAOYSA-N	302.334	1.830	50	20	DDGD	
Cc1cc(F)ccc1-n1ccc(C(=O)N2CC[C@@H](B(O)O)C2)n1	585065321	XBIPKYXAJQLQTF-LLVKDONJSA-N	317.129	1.009	50	20	DDGD	
COC(=O)N1CCC(C(=O)NNc2ccc(C#N)cc2)CC1	830776887	ZVRPEDLAVFXXCM-UHFFFAOYSA-N	302.334	1.480	50	20	DDGD	
COCCN(C)NC(=O)c1cnn(-c2ccc(Cl)cc2)n1	837626457	LCBBHTYJKNDOPK-UHFFFAOYSA-N	309.757	1.144	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc(OC)c(C)c1	901966179	OFUHUXNGPQHMRN-UHFFFAOYSA-N	310.375	1.117	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cccc2c1OC(C)(C)C2	737428105	WOBDSHNGIBROMG-UHFFFAOYSA-N	303.362	1.375	50	20	DDGD	
COc1ccc([C@@H](NCc2cccc(B(O)O)c2)C2CC2)cc1	585015015	LZCFYPKOFUHSIC-SFHVURJKSA-N	311.190	1.616	50	20	DDGD	
CC(C)CC(C)(C)CNC(=O)NNC(=O)N=c1cc[nH]cc1	836342312	UTMJEKSZIDJVGV-UHFFFAOYSA-N	307.398	1.912	50	20	DDGD	
C[C@@H]1C[C@H]1C(=O)NNC(=O)CSc1ccccc1[N+](=O)[O-]	730592350	HGAOGZZDBQYJHX-RKDXNWHRSA-N	309.347	1.490	50	20	DDGD	
Cc1nc2ccnn2c(C)c1CCC(=O)NNc1cccnn1	736698142	AZHAWEMSFJCJQX-UHFFFAOYSA-N	311.349	1.212	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N[C@@H]1C[C@H]1C(C)C	838760668	BWYZMTYRMBJZDI-NWDGAFQWSA-N	315.377	1.631	50	20	DDGD	
C[C@H](c1ccccc1)N(C)C(=O)CN(C)S(=O)(=O)CCl	831398104	KYJVZANKPFBJSA-LLVKDONJSA-N	318.826	1.664	50	20	DDGD	
CC(C)COc1ccc(CNCc2ccc(B(O)O)cc2)cc1	585016878	CLBHFAKQXLTJKL-UHFFFAOYSA-N	313.206	1.691	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc(C#N)c(Cl)c1	831077106	FZEKUXRTWKPAFI-KWQFWETISA-N	322.752	1.789	50	20	DDGD	
CC[C@@](C)(CNC(=O)NNC(=O)c1cccc(N(C)C)c1)OC	836577001	BHXQSMGEFPRABI-INIZCTEOSA-N	322.409	1.512	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1c(F)cc(F)cc1F	831505523	CWLNWJWPJCRZFU-SVRRBLITSA-N	317.267	1.682	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NC[C@@H]2CCSC2)cc1	836434313	VLEOJBKDUIHXRJ-JTQLQIEISA-N	324.406	1.784	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc2c(c1)CCCC2=O	836710429	UCBKSXWEAOIAOX-UHFFFAOYSA-N	305.334	1.395	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(Cl)cc(Cl)n1	833779848	YXFRKFNLIVNTCN-VIFPVBQESA-N	318.160	1.719	50	20	DDGD	
CN(NC(=O)CNC(=O)c1ccc(F)c(F)c1)c1ccccc1	918296374	BLALTOXBYRZAIS-UHFFFAOYSA-N	319.311	1.862	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=CCCc1cnn(C)c1	834922550	IEWYNMPYYSYQPI-UHFFFAOYSA-N	310.361	1.725	50	20	DDGD	
Cc1cc2ccc(C(=O)NNC(=O)[C@H]3CCCCO3)cn2c1	833236191	PURHZJICUXZYRQ-CQSZACIVSA-N	301.346	1.578	50	20	DDGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CC[C@](F)(C(=O)O)C1	833062506	MPIJKNYMTYXMMP-IMBBRHANSA-N	305.265	1.958	50	20	DDGD	
O=S(=O)(CCl)N[C@H]1CCCN(c2ccccc2F)C1	830981638	VBLRXHMWYVGPOC-JTQLQIEISA-N	306.790	1.910	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@H](C(=O)O)C1)c1ccc(Cl)cc1	833148953	BRPFCLXXZFFNFZ-MNOVXSKESA-N	324.764	1.992	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O	838745420	UBRDSCRUVJTQGJ-WCQYABFASA-N	320.368	1.914	50	20	DDGD	
CO[C@@](C)(CNS(=O)(=O)CBr)c1ccccc1	832160715	PZVMBLOAXDQCQF-NSHDSACASA-N	322.224	1.820	50	20	DDGD	
O=C(CSc1cccc[n+]1[O-])NNc1ccc(F)cc1F	748274982	IXHFPDFITNISCK-UHFFFAOYSA-N	311.313	1.834	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1CCC(C(F)(F)F)CC1	843656143	MDPLYNRJHDHYPE-IDWGSYCQSA-N	322.327	1.928	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CCC2)ccc1N1CCOCC1	843794971	AOQHOOMCYWBMHH-UHFFFAOYSA-N	317.389	1.393	50	20	DDGD	
O=C(CC1(O)CCCC1)NNc1ncc(Br)cn1	848321131	JSKZWMZRYCGQOT-UHFFFAOYSA-N	315.171	1.377	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)C(C)(C)Cc1nc2ccccc2[nH]1	910150121	NWTIXAVAQFDAIY-NSHDSACASA-N	304.394	1.475	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1ccc2c(c1)CCN2	841125468	MWIRZZHCTXBIPJ-UHFFFAOYSA-N	311.432	1.721	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccc(F)cc1	843646664	JYOYRYTUOYZXQE-ULOCGOKBSA-N	306.337	1.801	50	20	DDGD	
Cc1nn(-c2ccccc2)c(C)c1CC(=O)NN(C)C[C@@H](C)O	910177504	LXCJEHJEGBURDL-GFCCVEGCSA-N	316.405	1.375	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@H]2CC(=NNC(=O)CO)CC[C@H]2C1	842530224	IDKAMMHYAXKDOG-WDEREUQCSA-N	311.382	1.118	50	20	DDGD	
C[C@@H](Oc1cccc(C=NNC(=O)c2ccc[nH]2)c1)C(=O)O	746683036	QSMKOGJXCRDSHU-SNVBAGLBSA-N	301.302	1.631	50	20	DDGD	
C[C@H](CN1CCCCC1)NC(=O)NNC(=O)CC(F)(F)F	918064695	HTEUZLJGSULQRK-SECBINFHSA-N	310.320	1.144	50	20	DDGD	
CC(C)NC(=O)[C@H](C)NC(=O)[C@@H](Br)C(C)(C)C	840546497	MLTCNEXMYJSCAZ-DTWKUNHWSA-N	307.232	1.825	50	20	DDGD	
CO[C@H](C=NNC(=O)Cc1c[nH]c2ccccc12)[C@@H]1CCOC1	841612693	MWDVIINXFWCKHL-MLGOLLRUSA-N	315.373	1.864	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)ccc1Cl	843663466	XUBUUZNXAIIESC-WPRPVWTQSA-N	312.753	1.535	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCOC1	741757334	QGELSDOHKKCXOL-UKTARXLSSA-N	311.426	1.260	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1	743588762	IABAZOGEDBCGIV-SOUVJXGZSA-N	316.405	1.923	50	20	DDGD	
CC(=O)c1cc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)ccc1C	847224969	ZNKACKXNDYGILQ-YPMHNXCESA-N	319.361	1.775	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=S)Nc1ccc2c(c1)CCC2	843277694	SPVHYIDMJPVUQZ-IINYFYTJSA-N	319.430	1.918	50	20	DDGD	
CC(C[C@@H]1CCCC(=O)N1)=NNC(=O)Cc1ccc(F)cc1	841612842	QNZJDWHDAQYDRM-AWEZNQCLSA-N	305.353	1.919	50	20	DDGD	
C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NNC(=O)c1ccc[nH]1	915291663	SGNQLJSXYBPMSY-NSHDSACASA-N	313.357	1.732	50	20	DDGD	
C[C@@H](NNC(=O)C1CCC(N2CCOCC2)CC1)C(F)(F)F	912898083	GNOGSJQUEFPXHF-VOMCLLRMSA-N	323.359	1.449	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(Cl)nc(C(F)(F)F)c1	910161160	UVNBTMRIQKMTEG-ZCFIWIBFSA-N	311.691	1.711	50	20	DDGD	
CCn1ncnc1C=NNC(=O)[C@H](C)CN1CCC(C)CC1	848401794	JNQLYBDXBDGIAO-CYBMUJFWSA-N	306.414	1.116	50	20	DDGD	
CC(C)(C)N1CC[C@@H](NC(=O)[C@@]2(C)C[C@@H]2Br)C1=O	911490746	HGZNVFDPZXKAOW-ZDMBXUJBSA-N	317.227	1.676	50	20	DDGD	
COc1cc(C(=O)NNc2ccnc(N(C)C)n2)ccc1C	740114506	YCSPWMHXRQODAD-UHFFFAOYSA-N	301.350	1.617	50	20	DDGD	
C[C@H](CSc1ccccc1)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843651502	NFJWTKYSBACGSX-MBNYWOFBSA-N	322.430	1.987	50	20	DDGD	
COc1cccc(O[C@H](C)CNC(=O)NNC(=O)C(C)(C)C)c1	743598970	QIQQAFGNZDSEQC-LLVKDONJSA-N	323.393	1.839	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)C1	843753069	JLLMHACDBRDIHU-CQCMJFKXSA-N	304.390	1.719	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@@H]1C[C@H](C)O[C@@H]1C	840437280	UEXOXFORJFPAFV-XQQFMLRXSA-N	305.378	1.753	50	20	DDGD	
O=C1NC(=O)C2(CCC(C(=O)NNc3ccccc3F)CC2)N1	748057484	WXKUDGQVUQGPDW-UHFFFAOYSA-N	320.324	1.037	50	20	DDGD	
CCNc1nc(C)c(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)s1	844147396	WKIBMQWCDCZBOU-BDAKNGLRSA-N	312.395	1.069	50	20	DDGD	
O=C(NNC(=O)c1c[nH]nc1-c1ccccc1)NC1CCCC1	742591533	JGIMBLYJECMNCE-UHFFFAOYSA-N	313.361	1.963	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)[C@H]1CCCCS1	848322289	WBICXUSYQCHDMX-MRVPVSSYSA-N	317.212	1.968	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H](C)C(=O)OC(C)(C)C)nc1	840405740	WUEJUGZVPFUXLK-SECBINFHSA-N	323.349	1.289	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCCN1CCc2ccccc21	926792858	VYLCXZCLBZTZTO-UHFFFAOYSA-N	320.393	1.788	50	20	DDGD	
CCOCC(=O)NN=C(C)c1ccc2c(c1)CCC(=O)N2C	754704771	GPNMZQZPURRVRE-UHFFFAOYSA-N	303.362	1.472	50	20	DDGD	
CC1(C)CCN[C@H]1C(=O)NNc1nc(-c2ccccc2)no1	852829935	FPGPTCVCZNKXRP-NSHDSACASA-N	301.350	1.568	50	20	DDGD	
C[C@H]1COC[C@H]1NC(=O)NNC(=O)CCCc1ccccc1	926005716	XCSWEKYJBDBZOR-GXTWGEPZSA-N	305.378	1.375	50	20	DDGD	
CN[C@@H]1CCCN(C(=O)NC[C@@]2(C)C[C@H]2Br)C1	857105224	GXGMMCJGCHYNTG-CKYFFXLPSA-N	304.232	1.553	50	20	DDGD	
Cc1nc(C=NNC(=O)CNC(=O)c2cccs2)cs1	750948480	SKQMIPNDEWLKPO-UHFFFAOYSA-N	308.388	1.393	50	20	DDGD	
CCO[C@H](CC(=O)NNC(=O)c1cccc(Cl)n1)C(C)C	857323705	WDLLYBDCLUWFIU-LLVKDONJSA-N	313.785	1.947	50	20	DDGD	
O=C(O)[C@@]1(C(=O)NNc2ccccc2[N+](=O)[O-])C[C@H]2CC[C@H]1C2	852945079	ADDZZJYJIMSXKS-YHAQOWFVSA-N	319.317	1.929	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1csc(C2CC2)n1	750937161	SHFRIUSRZPFRMJ-UHFFFAOYSA-N	318.358	1.494	50	20	DDGD	
Cc1c(NNC(=O)NCC2(N(C)C)CC2)cccc1[N+](=O)[O-]	923010625	WEQZFRIIEMKVNH-UHFFFAOYSA-N	307.354	1.624	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1ncc(Br)s1	756889793	PPOYMIYPDICNFW-UHFFFAOYSA-N	305.201	1.307	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)[C@H]1CCCN1c1ncccn1	857729139	LENIEJREVAWJQC-SNVBAGLBSA-N	319.756	1.032	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@H]2C=NNC(=O)[C@@H]2CCCCO2)cn1	853352786	HHBMRUURKRPDQW-AEGPPILISA-N	320.393	1.652	50	20	DDGD	
COc1ccc(NC(=O)NNC(C)=O)cc1Br	758154954	FPQNOOAUYNIWMI-UHFFFAOYSA-N	302.128	1.630	50	20	DDGD	
O=C(NNC(=O)N1CC[C@@H](N2CCCCC2)C1)C1CCCC1	753338069	BXSZLKUTEHORON-CQSZACIVSA-N	308.426	1.478	50	20	DDGD	
CCC[C@H](CNC(=O)NNC(=O)[C@@H]1CCCCO1)OCC	858683918	YHUNNCYIJABYHS-NEPJUHHUSA-N	301.387	1.091	50	20	DDGD	
C=CC[C@H]1CCCN(CC(=O)NNC(=O)c2cccs2)C1	852408915	COEXZZXNWCHTRY-LBPRGKRZSA-N	307.419	1.797	50	20	DDGD	
CCOc1cnc(C(=O)NC[C@@]2(C)C[C@H]2Br)cn1	857390160	BXSQEGLDQIXCMU-BXKDBHETSA-N	314.183	1.779	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2CCCC(=O)N2)c1C	854186833	YWDRCLTTYMDOPJ-GFCCVEGCSA-N	320.418	1.290	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)N[C@@H]1C=CCC1	851915961	WGMOSTXIGVRQCA-LLVKDONJSA-N	305.334	1.123	50	20	DDGD	
CC[C@@H](C)CC[C@@H](O)CC(=O)NNC(=O)c1cccc(F)n1	856427360	UUEVQKSRVONLBE-GHMZBOCLSA-N	311.357	1.559	50	20	DDGD	
CC(CN1C(=O)CCC1=O)=NNC(=O)c1ccc(O)c(Cl)c1	754945524	UOAIIHYXCIJHTK-UHFFFAOYSA-N	323.736	1.300	50	20	DDGD	
C#CC[C@H](NC(=O)NNC(=O)Cc1ccncc1)c1ccccc1	757059894	XBTAFUOMJCLVNG-INIZCTEOSA-N	322.368	1.719	50	20	DDGD	
O=S(=O)(CCl)NCc1ccnc(N2CCSCC2)c1	867654835	HXSYHXBPSQDHLL-UHFFFAOYSA-N	321.855	1.251	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCC1(C(N)=O)CCCC1	866797253	QVQNKJHDVIPOCI-UHFFFAOYSA-N	310.847	1.217	50	20	DDGD	
NS(=O)(=O)c1cc(C(=O)NNc2cccc(Cl)c2)co1	763534780	MRTFRVVOZRQMRI-UHFFFAOYSA-N	315.738	1.337	50	20	DDGD	
COc1ccc(CC(=O)NN[C@@H](C)C(F)(F)F)cc1OC	862302949	GMIQDOICWHRQQI-QMMMGPOBSA-N	306.284	1.818	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC[C@H]1C(=O)NC1CC1	866470849	BMSFTISEXGGNFT-NSHDSACASA-N	322.858	1.324	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@@H](c1ccc(OC)nc1)C1CC1	860207206	FPISNVHUHYCOJA-MEBBXXQBSA-N	320.393	1.077	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(OC(C)C)cc1F	763438302	PJSGNGADXLDLOU-UHFFFAOYSA-N	311.313	1.109	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C)nn1C(C)(C)C	764082429	CWDPKLUIOAUTRI-VIFPVBQESA-N	323.397	1.079	50	20	DDGD	
COCCOCC(=O)NNC(=O)C[C@@H](C)C1CCCCC1	869909088	INBDAPLWAZBBSJ-GFCCVEGCSA-N	300.399	1.403	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)Cc2cccnc2)cc1	762274048	XQOFFBPVDUGIQU-UHFFFAOYSA-N	312.373	1.283	50	20	DDGD	
COc1ccccc1C(=O)C(=O)NNc1nc2ccccc2[nH]1	761128082	YSHOOCKLCXDAMB-UHFFFAOYSA-N	310.313	1.898	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H](C(C)C)C2)n1	935753520	WFLZTCSSPPSULG-TZMCWYRMSA-N	305.378	1.602	50	20	DDGD	
COC1(C=NNC(=O)COc2ccccc2F)CCOCC1	761750584	UYGCYHIQKFJXTJ-UHFFFAOYSA-N	310.325	1.502	50	20	DDGD	
COc1ccc(CCC(C)=NNC(=O)CS(C)(=O)=O)cc1	863188306	BQLMCBAOJJORDH-UHFFFAOYSA-N	312.391	1.165	50	20	DDGD	
Cc1ccc(-c2nnn(CC(=O)N3CC=C(C#N)CC3)n2)cc1	760003147	GVSXXNRPONYCJQ-UHFFFAOYSA-N	308.345	1.331	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1	768225142	CYSPRDMGYLSOGR-KCJUWKMLSA-N	317.227	1.676	50	20	DDGD	
COCCn1cc(C(=O)NNC(=O)Nc2ccccc2C)cn1	868026806	RDZMNLZSINWDHR-UHFFFAOYSA-N	317.349	1.304	50	20	DDGD	
COCCCn1cc(C)c(NC(=O)NN=c2cc[nH]c(C)c2)n1	861155482	CXVQHRBDLAAIOB-UHFFFAOYSA-N	318.381	1.502	50	20	DDGD	
CC1(C)Cc2cccc(C=NNC(=O)[C@@H]3CCC(=O)N3)c2O1	863149136	SDHTZFKTLWLOFV-LBPRGKRZSA-N	301.346	1.129	50	20	DDGD	
Cn1cccc(NC(=O)NNCC(F)(F)C(F)(F)F)c1=O	860673626	OULDLLGFQNNEEO-UHFFFAOYSA-N	314.214	1.209	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1cccc2ccsc12	869907076	AOQSJQUXDXWXTO-UHFFFAOYSA-N	308.359	1.325	50	20	DDGD	
Cc1nnc2ccc(C(=O)NNCC(F)(F)C(F)(F)F)cn12	863094662	YWOLJQPMNRGCDX-UHFFFAOYSA-N	323.225	1.470	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)C(F)=C1CCCC1	763054747	HCDHWJYXBBMZHR-UHFFFAOYSA-N	316.336	1.822	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N(C)CC2(C)COC2)cc(C#N)n1C	862761496	DJAASRJANHOPOA-LHHJGKSTSA-N	312.373	1.607	50	20	DDGD	
OB(O)c1ccc(CNc2cccc(Br)c2)cc1	864018650	NDNBYVHCWRFBIH-UHFFFAOYSA-N	305.968	1.741	50	20	DDGD	
Nc1cnnc(NNC(=O)/C=C/c2cncc(F)c2)c1Cl	1119781889	VBTICPQNOSCRAF-OWOJBTEDSA-N	308.704	1.403	50	20	DDGD	
CN(NC(=O)c1c(F)cc(Br)cc1F)C(N)=O	778411563	DXKSXGXNXJPGAC-UHFFFAOYSA-N	308.082	1.383	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cc2ccccc2CC#N)nc1	777428280	RMXBSVOMXXFEGN-UHFFFAOYSA-N	324.340	1.620	50	20	DDGD	
CON(C)C(=O)[C@@H](C)NC(=O)NNc1c(C)cc(C)cc1C	875908836	CRHDBNNPQWMELT-GFCCVEGCSA-N	308.382	1.646	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)C2(O)CCCC2)cc1	874951035	JESAISMPWHHGID-UHFFFAOYSA-N	322.434	1.375	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNC(=O)c1cncn1-c1ccccc1	1117126939	ACYRNFSZNGTMKV-INIZCTEOSA-N	311.345	1.573	50	20	DDGD	
CS(=O)(=O)Nc1cccc2c1CCN(C(=O)CCl)C2	1118553707	JYQSJSZBZXVNSY-UHFFFAOYSA-N	302.783	1.182	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc2oc(C(=O)OC)cc2c1	878270402	WLKUSYWZATUFEW-UHFFFAOYSA-N	321.333	1.834	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNC(=O)c1ccccc1OC)C(C)C	874450242	UELLHTNDKOQDMG-CYBMUJFWSA-N	322.361	1.292	50	20	DDGD	
O=C(Cc1ccccc1CO)NNC(=O)c1c[nH]c2ccccc12	779723797	MLQDPIGUCCGNJW-UHFFFAOYSA-N	323.352	1.664	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)/C=C/c1ccccc1C#N	771970151	JBOIKRVNICYZMO-FBOQAHMBSA-N	315.329	1.061	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1ccc2cc[nH]c2n1	779507552	BOZHQUXTTVCQRG-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H]1CCCC[C@@H]1N1CCOCC1	881991483	GVXWHFFGRVJOEJ-OLZOCXBDSA-N	324.874	1.178	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)CO)cc1CN1CCCCC1	776784255	XWPVJDPWBXGXDG-UHFFFAOYSA-N	319.405	1.514	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1	777368999	WLRUKUYEQYPZCW-UHFFFAOYSA-N	307.741	1.408	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCC1(SC)CCC1	789289571	LSGJZVJWDUQXTK-UHFFFAOYSA-N	323.418	1.925	50	20	DDGD	
C[C@@H]1CC[C@@H](NC(=O)NNC(=O)COc2ccccc2O)C1	780784193	LMFDTIPBUBQMTA-GHMZBOCLSA-N	307.350	1.290	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1cc(C(=O)O)ccc1C	788428378	OHAAKOAFYRJTSF-UHFFFAOYSA-N	300.318	1.581	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(O)nc2c(F)cc(C)cc12	780712168	TUSJCNXJXNASAW-UHFFFAOYSA-N	320.324	1.694	50	20	DDGD	
O=C(c1cccc(CCl)c1)N1CCSC[C@H]1c1nn[nH]n1	1120637461	OGAFXBSLCCSJSO-NSHDSACASA-N	323.809	1.869	50	20	DDGD	
CN1CCCC[C@@H]1CNC(=O)NNC(=O)c1ccccc1Cl	1123665294	XJLQOCARPHMSOC-LLVKDONJSA-N	324.812	1.768	50	20	DDGD	
COc1cccc(C[C@H](C)CC(=O)NNc2cnnn2C)c1	899143598	NCONGZDEIOFGTE-NSHDSACASA-N	303.366	1.536	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C[C@H]1CCCOC1	794907156	RHNRUSZJADFFOJ-GFCCVEGCSA-N	321.377	1.071	50	20	DDGD	
C#CCCCC(=O)NNC(=S)N[C@H]1CCOc2ccccc21	899620959	YBKILOPZQPXQCF-ZDUSSCGKSA-N	317.414	1.809	50	20	DDGD	
COCCCNC(=O)NN=Cc1cn(C)c2ccc(F)cc12	794856852	MBHPLLVCVWIIBS-UHFFFAOYSA-N	306.341	1.987	50	20	DDGD	
C[C@H]1CSCC1=NNC(=O)c1nn(C)c(=O)c2ccccc12	794872089	BZJGUZRDWPFPKB-VIFPVBQESA-N	316.386	1.402	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)[C@H](OC)C1CC1	792284604	NTPWGWASEUJCNE-CQSZACIVSA-N	324.402	1.360	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2ccc(C=O)[nH]2)cc1	792798949	UFAUCYVEHXUNJH-UHFFFAOYSA-N	315.329	1.230	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cccc(NC(=O)N(C)C)c1C	791914944	RHJFIZILXAUKQF-UHFFFAOYSA-N	307.354	1.651	50	20	DDGD	
O[C@@](CBr)(Cn1cncn1)c1ccc(F)cc1F	196813332	CFMLSIOEVNQGQY-NSHDSACASA-N	318.121	1.839	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@@H](C)O[C@H](C2CC2)C1	791554307	GYUKXNVPFLSDRB-DYEKYZERSA-N	311.426	1.068	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)nc(C)n1	795113470	ONIFZOBPNOTINH-GOGUNFLPSA-N	310.401	1.931	50	20	DDGD	
N#Cc1ccc2c(c1)CCCCC2=NNC(=O)C(=O)NC1CC1	794849909	DDSBVUYNJBRLIS-UHFFFAOYSA-N	310.357	1.384	50	20	DDGD	
Cc1ccc(/C=C(/C#N)S(N)(=O)=O)cc1Br	799893781	KHBNRBDCHLVEQS-WTKPLQERSA-N	301.165	1.911	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2ccc(C(C)(C)C)nn2)CCN1C	1319030770	YCEZMINXDHHXLA-NWDGAFQWSA-N	320.441	1.883	50	20	DDGD	
Nc1cnnc(NNC(=O)Cc2ccc(F)c(F)c2)c1Cl	1324008859	HAYOVHOVANNRIH-UHFFFAOYSA-N	313.695	1.676	50	20	DDGD	
CN1CCC(C(=O)NNc2cncc(Br)c2)CC1	1331909290	FEFWAKYMZVAINU-UHFFFAOYSA-N	313.199	1.629	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(-c2ccc(Cl)cc2)nn1C	1261911241	XPWSMGAGECUSTD-UHFFFAOYSA-N	322.796	1.700	50	20	DDGD	
CC(C)(C(=O)O)C(=O)NNC(=O)c1cccc(OC(F)F)c1	1602836774	LOJIDCAGHWEIIL-UHFFFAOYSA-N	316.260	1.160	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCc1ccc(-c2nn[nH]n2)c(F)c1	1609492730	XDDCIEMFPBVFAF-VZUCSPMQSA-N	313.292	1.909	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1ccc(C(=O)O)cc1F	1601555850	QJFWYNNDPOXABD-UHFFFAOYSA-N	318.264	1.385	50	20	DDGD	
O=C(NNC(=O)C(=O)O)N[C@@H]1CCC[C@@H](c2ccccc2)C1	1601553090	UAWYRPJEVHNWNU-VXGBXAGGSA-N	305.334	1.128	50	20	DDGD	
CCCC(=NNC(=O)NCC(=O)O)c1cccc([N+](=O)[O-])c1	1605188801	XESCVZKKJPPEMM-UHFFFAOYSA-N	308.294	1.483	50	20	DDGD	
Cc1cc(NNC(=O)Cc2cccc(C(=O)O)c2)nc(C)n1	1600282499	CSCSBCPMXGWQQE-UHFFFAOYSA-N	300.318	1.477	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cccc(C(=O)O)c2)nc1	1606574222	JFNLBXKKLWADNE-UHFFFAOYSA-N	315.285	1.323	50	20	DDGD	
CSc1c(C(=O)NNc2cccc(C(=O)O)c2)cnn1C	1607402291	JMRIPFPVUXALKX-UHFFFAOYSA-N	306.347	1.597	50	20	DDGD	
N#C/C(=C/c1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CCCOC1	1609492900	CWXWRFDTZCFDOW-HRYODUOUSA-N	309.329	1.769	50	20	DDGD	
C=C(CCC(=O)O)C(=O)NNc1nc(-c2ccccc2)no1	1602784584	WKAXOTASFAFDQT-UHFFFAOYSA-N	302.290	1.601	50	20	DDGD	
O=C(O)C(=O)NN=Cc1c(F)ccc(C2OCCO2)c1Cl	1601638211	RXLONLVDUIWWPK-UHFFFAOYSA-N	316.672	1.059	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@@H](C(=O)O)C2CCCCC2)cn1	1600946032	KHFDDURWULUPJM-WTWVRAIASA-N	316.361	1.477	50	20	DDGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1c[nH]c(C(=O)O)c1	1608481462	INHZLDOTQZFOLI-UHFFFAOYSA-N	323.312	1.927	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2ccc(Cl)c(F)c2)O[C@H]1C(=O)O	1607444068	CBRHDJVQNZRLHB-DIMCTHFVSA-N	316.716	1.800	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCOC1)[C@@H](F)Cl	1803231449	PEGWNZVRZWOVIJ-HHHUOAJASA-N	318.776	1.196	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@H]1C(=O)NN=Cc1cc[nH]c1	1549314480	DGTKMKMJODQDEZ-OCCSQVGLSA-N	301.350	1.366	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C(=O)NN=C1CC[C@@H]2C[C@H]12	1549905024	PFIAPSXSAZDZEC-OWTLIXCDSA-N	302.378	1.790	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1c(O)cccc1F	1610287233	FBQXIEFZSIYXEZ-UHFFFAOYSA-N	320.276	1.995	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CCSCC(=O)O	1610219198	KUJPPDFFXWVCRG-UHFFFAOYSA-N	312.347	1.124	50	20	DDGD	
C[C@]1(C(=O)NNc2ccc(OC(F)F)cc2)CNCCO1	1576351119	WRHOUBIATOHRQR-CYBMUJFWSA-N	301.293	1.110	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2cc3ccccc3cc2O)CCNC1	1573600761	JTTOGYPQCIQHAZ-QGZVFWFLSA-N	313.357	1.306	50	20	DDGD	
CCOCc1nc(C)cc(NNC(=O)[C@@]23CCC[C@@H]2NCC3)n1	1578127394	VMWOWFPHUOUGHQ-BLLLJJGKSA-N	319.409	1.297	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@H](N)C(C)(C)C	1574015178	ZJRVHXVTQOYUAN-NSHDSACASA-N	313.785	1.483	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCNC1)c1cc(C2CC2)cnc1Cl	1580733205	PMQLFBVWSRYMSL-SNVBAGLBSA-N	322.796	1.373	50	20	DDGD	
CCN([C@H](C)C(=O)O)S(=O)(=O)c1ccc(CCCl)cc1	1589713451	RLEVTBORVUOCIP-SNVBAGLBSA-N	319.810	1.952	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)COC(C)C	1847337341	RBPSFYOEXBLRFK-AGIUHOORSA-N	316.829	1.631	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)C2(C(=O)O)CCC2)cc1	1594378475	CMMSZRGUESHIHN-UHFFFAOYSA-N	322.386	1.489	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@@H](C)C(=O)O)cc1	1592705971	ZDAQXXWQDQRKFM-MRVPVSSYSA-N	311.363	1.124	50	20	DDGD	
C[C@@]1(CNC(=O)CCSCC(=O)O)C[C@H]1Br	1594015680	OECIYYUVVAPXDJ-XCBNKYQSSA-N	310.213	1.484	50	20	DDGD	
CO[C@H]1CCC[C@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1	1591362886	TYJIJYCCAGAVGP-NEPJUHHUSA-N	302.338	1.125	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H](C(=O)O)C(C)C)c1	1594352352	RPTQHXYSUGCNGR-CQSZACIVSA-N	322.361	1.186	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@](C)(CC(=O)O)c1ccncc1	1596862115	MZIJUDWKGGSKNX-JQPIKURYSA-N	303.318	1.332	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cnn(C2CCC2)c1	1593165469	LEDYMVKAROYZCL-UHFFFAOYSA-N	324.348	1.545	50	20	DDGD	
CC1(C)OC[C@@H]2C[C@]21C(=O)NNc1ccc(CC(=O)O)cc1	1593976534	ILOSGBGLRVSULL-MEDUHNTESA-N	304.346	1.572	50	20	DDGD	
O=C(NN=Cc1c(O)cccc1O)Nc1ccc(C(=O)O)cc1	1776046315	KQARTWYVSZRXLD-UHFFFAOYSA-N	315.285	1.952	50	20	DDGD	
O=C(O)c1cnc2c(C=NNC(=O)[C@H]3CCCS3)cccn12	1776081738	FDEMEUSUSWWIIV-LLVKDONJSA-N	318.358	1.378	50	20	DDGD	
O=C(COc1cccc(Cl)c1)NNC(=O)c1ccncc1	5423568	PTVKAUBPWSWHDQ-UHFFFAOYSA-N	305.721	1.575	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	161318330	FLCOQRVJNGZEFW-ZDUSSCGKSA-N	308.403	1.804	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)c2ccc(Cl)s2)[nH]n1	153102889	PFIWSDZCXSLYEB-SSDOTTSWSA-N	312.782	1.998	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)[nH]n1	153366023	PPUBBHBVFQPOBH-RKDXNWHRSA-N	320.299	1.561	50	20	DDGD	
CCOc1ncccc1C(=O)NNc1ncccc1[N+](=O)[O-]	153633793	ASQNIXHUHJKADI-UHFFFAOYSA-N	303.278	1.540	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)CC2CCOCC2)cc1	156030916	KERAJNYCGJKPNW-UHFFFAOYSA-N	319.405	1.114	50	20	DDGD	
CS(=O)(=O)Nc1cccc(C(=O)NNc2cccc(F)c2)c1	154137888	JMUXPOUAYYEOJR-UHFFFAOYSA-N	323.349	1.954	50	20	DDGD	
ICCN1CCO[C@H]([C@H]2CCCO2)C1	190933823	WVFHQMRPHSGTBY-ZJUUUORDSA-N	311.163	1.301	50	20	DDGD	
O=S(=O)(CBr)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2	363700198	MMVLZIJALKKONL-BBBLOLIVSA-N	324.240	1.606	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)c2ccc(OCC(N)=O)cc2)c1	107378538	ZMKRBJFRFJCFOZ-UHFFFAOYSA-N	313.357	1.924	50	20	DDGD	
O=C(NNC(=O)c1ccc2nc(S)oc2c1)c1ccncc1	173592153	CYFQVJXBBQQEKN-UHFFFAOYSA-N	314.326	1.586	50	20	DDGD	
O=C(CN(Cc1ccco1)Cc1ccco1)NNC(=O)C1CC1	112976051	GZKFXDPMZGHKBT-UHFFFAOYSA-N	317.345	1.432	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cccc(OC[C@@H]2CCCO2)c1	29509487	SUVCYTHVQICVGW-AWEZNQCLSA-N	304.346	1.415	50	20	DDGD	
CC[C@@H]1CN(C(=O)NNC(=O)Cc2cccnc2)CCS1	176392972	TYYKVNHJWARXLQ-GFCCVEGCSA-N	308.407	1.192	50	20	DDGD	
Cc1cccc(OCCCC(=O)NNC(=O)NCC2CC2)c1	65197314	KZFGNWMGYFXTSV-UHFFFAOYSA-N	305.378	1.894	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(C)CCC(=O)NC)cc1	171504433	GMJMRKOSBARGJW-SDNWHVSQSA-N	315.373	1.587	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2CCOc3ccccc32)n1	174475243	OOQJWQBYFPDKFN-GFCCVEGCSA-N	314.345	1.803	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CCNC(=O)C(C)(C)C	67436346	QAXUDTRLQHMSBB-UHFFFAOYSA-N	321.377	1.009	50	20	DDGD	
Nc1cc(C(=O)NNC(=O)CNc2ccccc2)cc(Cl)n1	170929877	OHNYMIZCMYCWRZ-UHFFFAOYSA-N	319.752	1.190	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@H](c1ncccc1C)C(C)C	120828051	UGCLMXHPOSLAPE-OCCSQVGLSA-N	306.410	1.623	50	20	DDGD	
COc1ncnc(OC)c1C(=O)NNc1c(C)cccc1F	184317270	CYPHSHVPEGYUDW-UHFFFAOYSA-N	306.297	1.698	50	20	DDGD	
NC[C@@H](NS(=O)(=O)c1ccc(CCCCl)cc1)C1CC1	124630692	MHXDGZUVTFFLHZ-CQSZACIVSA-N	316.854	1.874	50	20	DDGD	
C[C@H](NC(=O)NNc1cccnn1)c1cccc([N+](=O)[O-])c1	77348982	ODWMKJGPRVANCU-VIFPVBQESA-N	302.294	1.772	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)NCCc2cccs2)cn1	182915946	WSCSNSAFXGVNAW-UHFFFAOYSA-N	321.406	1.541	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccn(-c2ccccc2F)n1	127277333	GIAUYDKNMPYKMA-UHFFFAOYSA-N	304.325	1.819	50	20	DDGD	
O=C(CCCNC(=O)NNc1cc(Cl)ccn1)NC1CC1	180678540	OIIXUTKYKPUEAS-UHFFFAOYSA-N	311.773	1.420	50	20	DDGD	
Cc1cccc(S(=O)(=O)NNC(=O)c2ccccc2O)c1F	180467157	VGYYDHINSFGJEB-UHFFFAOYSA-N	324.333	1.463	50	20	DDGD	
CCS(=O)(=O)C[C@H](C)NC(=O)NNc1cc(Cl)ccn1	181431343	NHOCKPCAIXSCRO-QMMMGPOBSA-N	320.802	1.184	50	20	DDGD	
CCCN(CC(=O)NC)C(=O)/C(C#N)=C\c1ccc(O)cc1	188249208	DVWDPUFZEUWSRL-LCYFTJDESA-N	301.346	1.284	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC2(CN(C)C)CCCC2)o1	185188758	HPZMLYZEYHATIH-UHFFFAOYSA-N	322.409	1.654	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNc1cccnc1Cl	128577750	KHCKQVPFWXYLGX-LLVKDONJSA-N	310.785	1.969	50	20	DDGD	
C[C@H](CCc1cccc(F)c1)C(=O)NNC(=O)[C@@H]1CCCO1	79552181	UOBIJCOWXMPHPJ-RISCZKNCSA-N	308.353	1.721	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)c2cn(CC3(C)COC3)nn2)c1	184018500	GNGSVTNFEPDHHZ-UHFFFAOYSA-N	315.377	1.688	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	130484132	CGISMNHDHIWJKB-ZDUSSCGKSA-N	318.402	1.775	50	20	DDGD	
Cc1ccc(C[C@@H](C)C(=O)NNC(=O)Cc2ccncc2)cc1	181293722	GUANUEGQVRHXKJ-CQSZACIVSA-N	311.385	1.959	50	20	DDGD	
CCCCn1cc(C(=O)NNC(=O)c2ccccc2O)c(C)n1	184789445	SNHUCIVMNCJMIG-UHFFFAOYSA-N	316.361	1.772	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)COC2CCCC2)c1	44819510	DKRJDCQMHJKBHG-UHFFFAOYSA-N	306.362	1.480	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)NCC(F)(F)F)cc1	46916845	QBVIDXGIPVNUDZ-UHFFFAOYSA-N	305.256	1.592	50	20	DDGD	
Cc1cc(NC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)nn1C	133750835	SCHYQYNLLZCUAX-AWNIVKPZSA-N	308.345	1.793	50	20	DDGD	
O=C(CCNC(=O)c1ccco1)NNc1cccnc1Cl	85683707	SQGOKGZWFGIMBP-UHFFFAOYSA-N	308.725	1.591	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1ccc(Cl)cn1	134494779	PFEUBBRQOIGGSZ-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
CC(C)CCO[C@H](C)C(=O)NNc1cc(Cl)nc(N)n1	134119217	LBEMVRJTHRZYKZ-MRVPVSSYSA-N	301.778	1.607	50	20	DDGD	
Cc1cncc(CNC(=O)NNC(=O)Cc2ccc(F)cc2)c1	134514514	CFLICHYGGAGUGE-UHFFFAOYSA-N	316.336	1.602	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C[C@H]1CCCO1	46764846	SWVRCBQGPZDKQD-GHMZBOCLSA-N	310.325	1.310	50	20	DDGD	
O=C(Cc1noc2ccccc12)NNc1nc2ccccn2n1	191902013	DIWMYWMRMMTORE-UHFFFAOYSA-N	308.301	1.556	50	20	DDGD	
Cc1ccn2cc(CNC(=O)NNC(=O)OC(C)(C)C)nc2c1	80100930	LAYIMQMSNWWKLB-UHFFFAOYSA-N	319.365	1.882	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)[C@H]2CC[C@H](C(N)=O)O2)cc1	193783667	QAXDTMJJESNBOP-CHWSQXEVSA-N	305.378	1.460	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	247632310	SZEPIUJLFVVQSP-URLAMEQQSA-N	317.364	1.743	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1ccc(O)cc1O	254790947	JYHFJGPYCKSDGQ-UHFFFAOYSA-N	316.313	1.636	50	20	DDGD	
CSC[C@H](C)NC(=O)NNC(=O)COc1ccccc1C#N	265581947	RCJGEQYCADLJQH-JTQLQIEISA-N	322.390	1.019	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)NCC1CCCC1	264572362	HWBYZIHBQWCAIV-UHFFFAOYSA-N	307.350	1.292	50	20	DDGD	
Cc1ccc2c(c1)CC[C@H]2NC(=O)NNC(=O)Cc1ccncc1	266977331	KKEYQBSHFYHHST-MRXNPFEDSA-N	324.384	1.950	50	20	DDGD	
O=C(COc1ccccc1Cl)NNC(=O)[C@H]1CCCCO1	269350159	KBVDFBWTSTYSTH-GFCCVEGCSA-N	312.753	1.435	50	20	DDGD	
CO[C@H](C)CCNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	263933326	WWIZLNLMZNHWIZ-LLUUXILJSA-N	300.362	1.653	50	20	DDGD	
CCN(CC)S(=O)(=O)NNC(=O)c1cccc2ccccc12	266072955	LMILYMFFSHHTNU-UHFFFAOYSA-N	321.402	1.661	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2nccc(OC)n2)c1Cl	266019855	BOWRVGSOLREIPU-UHFFFAOYSA-N	310.745	1.420	50	20	DDGD	
C[C@H](NC(=O)NNc1c(F)cccc1F)c1nnc2n1CCC2	265458952	PGLZMFNLVGPVRZ-QMMMGPOBSA-N	322.319	1.890	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CNCC(F)(F)F)c1	272875607	XRZATLJHBDHVKV-UHFFFAOYSA-N	305.256	1.068	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1csc([N+](=O)[O-])c1	271339610	WJUKMDWMGVZNAJ-UHFFFAOYSA-N	320.421	1.128	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNC(=O)c1ccc(OCC)c(OC)c1	278522267	CTGJBHNKYJFOCW-INIZCTEOSA-N	322.361	1.182	50	20	DDGD	
COC(C)(C)CC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	278372941	ZWKIKDVJHLAOEE-JTQLQIEISA-N	312.341	1.556	50	20	DDGD	
CCSCc1ccccc1C(=O)NNc1nccn(C)c1=O	279278897	LHGKUMXSSFEOFH-UHFFFAOYSA-N	318.402	1.790	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(C(F)(F)F)nc1	276035408	MNIFYPQZEFWUBK-UHFFFAOYSA-N	305.260	1.798	50	20	DDGD	
CC1(C)CCC[C@@H]1C(=O)NNC(=O)CNC(=O)c1cccs1	274863288	KGNPILOYLAHMKJ-SNVBAGLBSA-N	323.418	1.452	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)N[C@@H]1CCN2CCCC[C@H]12	272515310	YVSGJLWFGMILEO-VXGBXAGGSA-N	309.801	1.988	50	20	DDGD	
C=C(CBr)CN1CCN(C(=O)c2ccccn2)CC1	279835790	ZJXHGUQEVADADG-UHFFFAOYSA-N	324.222	1.791	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cccc(OCC(F)(F)F)c1	277863818	BXZNZHYDWQGNKD-UHFFFAOYSA-N	320.267	1.160	50	20	DDGD	
CC[C@H](OC)C(=O)NNC(=O)CSc1ccccc1OC	270660961	OXTMXFFOJOKWHK-JTQLQIEISA-N	312.391	1.360	50	20	DDGD	
COc1ccc(NNC(=O)NCCCn2ccnc2C)nc1	275935718	IJFNEVATIDYFBT-UHFFFAOYSA-N	304.354	1.312	50	20	DDGD	
CSSCCNC(=O)N1CCC(Cn2cncn2)CC1	375119369	OPTZWSCDCHRWJY-UHFFFAOYSA-N	315.468	1.711	50	20	DDGD	
CC[C@](C)(NC(=O)/C(C#N)=C\c1ccc(O)cc1)C(=O)OC	278546492	DCYALIMOLFLQAY-CKDIWJPDSA-N	302.330	1.757	50	20	DDGD	
Cc1c(C(F)(F)F)nn(C)c1NC(=O)NNc1cnccn1	287067050	ITUQTXZHQOCOJO-UHFFFAOYSA-N	315.259	1.686	50	20	DDGD	
Cc1cccc2cc(C(=O)NNC(=O)C(=O)NC3CC3)sc12	289758261	OKFOQBFSMYBOCN-UHFFFAOYSA-N	317.370	1.249	50	20	DDGD	
CSSCCNC(=O)CN1CCc2ccccc2C1=O	284224243	VJTBCJABXFCHCC-UHFFFAOYSA-N	310.444	1.812	50	20	DDGD	
CSSCCNC(=O)c1cc(S(N)(=O)=O)ccc1F	284014573	IXYYSILSKKQDRM-UHFFFAOYSA-N	324.424	1.214	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)N[C@@H](C1CC1)C(F)(F)F	288841782	NRZUQHIJFGIYKJ-VIFPVBQESA-N	304.272	1.310	50	20	DDGD	
CC1(CCNC(=O)NNc2ccc(-n3ccnc3)nn2)CC1	288423387	BRPIPKLWXGSCTN-UHFFFAOYSA-N	301.354	1.479	50	20	DDGD	
Nc1c(F)cc(Cl)cc1C(=O)NNC(=O)[C@@H]1CCCO1	294726884	TWAUWGBMZMEAJM-VIFPVBQESA-N	301.705	1.001	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)C2(C)CCOCC2)cc1	802121472	DWFZGPPXWQANAM-UHFFFAOYSA-N	320.393	1.722	50	20	DDGD	
CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)NNc1ncncc1F	292959971	HKVBGHSDTDFPMP-RYUDHWBXSA-N	311.361	1.836	50	20	DDGD	
Cc1[nH]c(C=NNC(=O)c2ccnc(N(C)C)c2)cc1C(=O)O	800813524	ZDVYNQNVXGUPDN-UHFFFAOYSA-N	315.333	1.246	50	20	DDGD	
CC(C)c1[nH]ccc1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	292699852	NPSUWXDEEFLUMW-LLVKDONJSA-N	313.423	1.244	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)Nc2ccccc2C)n1	293728018	WCWQFTITKMAROS-UHFFFAOYSA-N	302.338	1.381	50	20	DDGD	
CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1C(=O)NNc1nnc[nH]1	298252573	FENMHVHWJGYVLH-NXEZZACHSA-N	324.385	1.189	50	20	DDGD	
N#CCNC(=O)CNC(=O)NNc1ccc(Cl)cc1Cl	807552857	IKRQTKAVVBZHKY-UHFFFAOYSA-N	316.148	1.259	50	20	DDGD	
CC[C@H]1C[C@H](CC(=O)NNC(=O)N=c2cc[nH]cc2)CCO1	802031186	DMFCPGGHOYDVBR-YPMHNXCESA-N	306.366	1.252	50	20	DDGD	
COC(=O)N(C)NC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1	804125027	XUMUGDQYQKEBGU-JTQLQIEISA-N	315.370	1.363	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N=c2cc[nH]cc2)nn1C(C)(C)C	802029844	TTZRONJEHYRJOR-UHFFFAOYSA-N	316.365	1.230	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2ccnn2C(C)(C)C)O1	296601226	HIXUWGGEVIHJCE-UWVGGRQHSA-N	309.370	1.358	50	20	DDGD	
CCn1nc(NC(=O)NNC(=O)[C@@H]2CCCCO2)cc1C1CC1	296488322	CINCTZAMZPFIKI-LBPRGKRZSA-N	321.381	1.502	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CC(C)C)nnn1-c1ccccc1	298879279	ZFHUQDLJWIDVAA-UHFFFAOYSA-N	301.350	1.383	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNC(=S)NC(C)(C)C	805157447	SMXDSWATIVFJCB-UHFFFAOYSA-N	303.428	1.260	50	20	DDGD	
COCc1ncc(C(=O)NNC(=O)c2ccccc2O)s1	803162504	DNEJTFVTYKSESB-UHFFFAOYSA-N	307.331	1.070	50	20	DDGD	
Cc1ccc([C@H](C)NC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	296216121	IZSVAKBJSKVJFN-JSGCOSHPSA-N	305.378	1.956	50	20	DDGD	
O=C(NNc1ccncn1)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2	296461313	LAMGHUCZSDBZML-RAIGVLPGSA-N	303.366	1.450	50	20	DDGD	
Cc1c(C(=O)NN(C)C2CC2)nnn1Cc1ccc(F)cc1	819651370	KFDDFXFOWSCBLQ-UHFFFAOYSA-N	303.341	1.513	50	20	DDGD	
COC1([C@H](C)NC(=O)NNc2ccc(C)cn2)CCOCC1	817177937	MKICFEGVRVGIEF-LBPRGKRZSA-N	308.382	1.600	50	20	DDGD	
CCCc1[nH]ccc1C(=O)NNc1ccc(C(=O)OC)cn1	817553855	CTFHKFJGMCIAMS-UHFFFAOYSA-N	302.334	1.906	50	20	DDGD	
CSc1nsc(NC(=O)NNc2ncncc2F)n1	814658373	BWEWVMRHOMGNQL-UHFFFAOYSA-N	301.332	1.338	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)COc2ccccc2O)nn1	814953516	POXSYXLBQSGSIG-UHFFFAOYSA-N	303.322	1.094	50	20	DDGD	
C[C@H]1C(=NNC(=O)COc2ccccc2O)CC[C@H]1CC(=O)O	814953993	YKGIUWQNTOZJJS-MNOVXSKESA-N	320.345	1.764	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccc(Br)c(F)c1	816769932	CLRZIWLUPNNRCV-UHFFFAOYSA-N	314.118	1.474	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)c2ccccc2F)cc1O	816814449	RBJAKAOOIKKYQH-UHFFFAOYSA-N	316.288	1.809	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccc(NC(=O)C2CC2)cc1	817082848	NVVWCBWSXPOYFU-UHFFFAOYSA-N	315.308	1.721	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ncnc(Cl)c1C(C)C	816486483	GJXXANOZDNZACQ-JGVFFNPUSA-N	312.757	1.506	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Cc1cccc(Cl)c1F	810364101	NBFWBDQECCWUGL-UHFFFAOYSA-N	310.716	1.514	50	20	DDGD	
CSCCCC=NNC(=O)c1cccc(S(C)(=O)=O)c1	814802157	TZZPXDGNXQMZKT-UHFFFAOYSA-N	314.432	1.949	50	20	DDGD	
CSCc1cnc(C=NNC(=O)C(=O)N2CCCC2)s1	814825050	WBEZJRAPNDQGQO-UHFFFAOYSA-N	312.420	1.079	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)c1c(Cl)nc2sccn12	728502376	HRJLUZQOIOZPBM-UHFFFAOYSA-N	322.799	1.015	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cnn(-c2ccc(Cl)cc2)c1	495692921	KZGCJTYXGDPKSX-UHFFFAOYSA-N	308.725	1.869	50	20	DDGD	
O=C(COc1cccnc1)NNc1nc(-c2ccncc2)no1	728070696	BCUHBLQHCDTHQK-UHFFFAOYSA-N	312.289	1.049	50	20	DDGD	
C[C@@H](c1cccc(C#N)c1)N(C)CC(=O)NNC(=O)C(C)(C)C	823617714	LJORPZPTGVSMHH-LBPRGKRZSA-N	316.405	1.745	50	20	DDGD	
O=C1[C@@H](NS(=O)(=O)CCl)CCN1c1ccccc1F	820790896	ABBRZWBINPMUTD-VIFPVBQESA-N	306.746	1.047	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)NNc1ccncn1	497027987	VBDAWQLJBTWSLS-LLVKDONJSA-N	321.381	1.709	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)COc1cc(Cl)ccc1Cl	823983670	ZDNHRZURMKEVCQ-QMMMGPOBSA-N	307.177	1.716	50	20	DDGD	
C[Si](C)(C)c1ccc(CNC(=O)NNc2ncccn2)cc1	820532709	AFFKAPACJMRURD-UHFFFAOYSA-N	315.453	1.848	50	20	DDGD	
COCCc1ccc(OCCCC(=O)NNC(=O)OC)cc1	495366671	GYOWBPJJAPZRTP-UHFFFAOYSA-N	310.350	1.422	50	20	DDGD	
CC(C)(C)OC(=O)N1CC=C(C(=O)NNc2cccnn2)CC1	497026669	FUJAWMWZFBRRNA-UHFFFAOYSA-N	319.365	1.487	50	20	DDGD	
CCO[C@@H](Cc1nc(-c2cccc(B(O)O)c2)no1)C(C)C	585053028	FWXCBNUXBJILIQ-ZDUSSCGKSA-N	304.155	1.020	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2[C@@H]3c4ccc(F)cc4C[C@H]32)c(F)c1	585050076	QGFRWFBBWIWZMI-DJIMGWMZSA-N	315.128	1.073	50	20	DDGD	
CC1(C)C[C@@H](NCc2ccc(B(O)O)o2)c2ccccc2O1	585031669	WXMKJXYYQDYNAU-CYBMUJFWSA-N	301.151	1.351	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1CNC(=O)c1cc(B(O)O)ccc1F	584995116	IZJRQELNMNRIEN-NEPJUHHUSA-N	307.174	1.452	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=S)NCCc1cccs1	820170980	AJPGYLZRZUBATP-CYBMUJFWSA-N	315.464	1.601	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CCCCNC(=O)OC(C)(C)C	495221450	MWQDKQUUQHOENR-UHFFFAOYSA-N	315.414	1.875	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cc2cn(C)nc2C)c1	828091471	QZRCBGGYCVZBBB-UHFFFAOYSA-N	302.334	1.201	50	20	DDGD	
COCCN(C)NC(=O)[C@@H](O)c1ccccc1C(F)(F)F	908115216	PDUJVEKCHBVZSD-NSHDSACASA-N	306.284	1.348	50	20	DDGD	
COc1cc(C)cc(C(=O)NNC(=O)c2cccnc2)c1O	730104657	UMJZCVSZYXAJAO-UHFFFAOYSA-N	301.302	1.179	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN(C)CCOC	496424048	JHGDAQRLITXGJF-RYUDHWBXSA-N	317.430	1.535	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CCC[C@@H]3C[C@H]23)cc1	838774396	JUQPQACFSIDNLS-SNPRPXQTSA-N	317.389	1.893	50	20	DDGD	
C[S@](=O)CCNC(=O)NNc1cc(C(F)(F)F)ccn1	836312622	SKGWJMIZYVKRJE-FQEVSTJZSA-N	310.301	1.105	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)/C=C/c2ccc(Cl)nc2)n1	491981072	HFMVUINSRXRMOZ-SOFGYWHQSA-N	316.748	1.913	50	20	DDGD	
O=C(CCc1ccco1)NNC(=O)c1ccc(C(=O)O)c(F)c1	833103666	ZVLKLWZVWVHRPY-UHFFFAOYSA-N	320.276	1.511	50	20	DDGD	
C=CC[C@H](NC(=O)NNC(=O)c1cnn(C)c1)c1ccncc1	735583258	TWNCVWTXPAQNTJ-ZDUSSCGKSA-N	314.349	1.077	50	20	DDGD	
COCCCOc1ccccc1NCc1ccc(B(O)O)cc1	585013112	LSFVGMHSWPIHNX-UHFFFAOYSA-N	315.178	1.394	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)c1)N[C@H]1CC12CCOCC2	836610817	KWXJGOYJERWKAZ-LBPRGKRZSA-N	323.780	1.853	50	20	DDGD	
CC(C)[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)[C@@H]1C(C)C	584996370	GIZGRHNBPWCJOA-DZGCQCFKSA-N	307.174	1.258	50	20	DDGD	
CC(C)(C)[C@H](CC(F)(F)F)NCc1ccc(B(O)O)cc1	585035116	PHIPVICWDBSOOZ-LBPRGKRZSA-N	303.133	1.823	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cc1[N+](=O)[O-]	585074058	IKWUWGXJPZLPGH-LLVKDONJSA-N	320.154	1.581	50	20	DDGD	
CC[C@@H](NNC(=O)c1cccnn1)C(=O)Nc1ccc(C)cc1	905792223	CAWUUXAIYLCUGP-CYBMUJFWSA-N	313.361	1.437	50	20	DDGD	
C=CCC1(C(=O)NNC(=O)N2CCN(C)CC2)CCCCC1	830240694	KCXVYXWKJDIUIT-UHFFFAOYSA-N	308.426	1.501	50	20	DDGD	
CCC(C)(C)OCC(=O)OCC(=O)NNC(=O)c1ccccc1	838413552	FFCZFVIQKXAAMR-UHFFFAOYSA-N	322.361	1.196	50	20	DDGD	
CCN(C(=O)c1ccc(B(O)O)c(F)c1)[C@@H]1CCCC[C@H]1C	584938731	AVPVDIKODAIZEV-IAQYHMDHSA-N	307.174	1.546	50	20	DDGD	
O=C(NCC[C@H]1C[C@H]2CC[C@H]1O2)NNc1ccc(Cl)nn1	838752232	BRDQOXOBQUWHGJ-IVZWLZJFSA-N	311.773	1.714	50	20	DDGD	
CO[C@@H](C1CC1)[C@H](C)NC(=O)NNc1nc2ccccn2n1	838700988	LIFHCPMCQLVGEI-JOYOIKCWSA-N	304.354	1.169	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H]2Br)C[C@@H](C)S1(=O)=O	908298477	GSAUZEIPECQYPT-SDNRWEOFSA-N	324.240	1.194	50	20	DDGD	
CC(=O)NNC(=O)Cc1ccc(Cl)cc1Br	733355350	CXQWQQXZJIQKHP-UHFFFAOYSA-N	305.559	1.812	50	20	DDGD	
CN(C)c1cc(C(=O)NNc2ccccc2C(=O)O)ccn1	833691154	MJVIFXFMQHIWNT-UHFFFAOYSA-N	300.318	1.603	50	20	DDGD	
COC(=O)c1cncc(C(=O)NNc2cccc(C(=O)O)c2)c1	833717835	UJMNKLSNAWOPFJ-UHFFFAOYSA-N	315.285	1.323	50	20	DDGD	
CON=Cc1ccc(C(=O)NN=c2cc[nH]cc2Cl)cc1	588479159	OXWWCRGVQJQYCT-UHFFFAOYSA-N	304.737	1.894	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@H]2CCOC(C)(C)C2)n1	836673829	DMKPODFJWHOWQC-NSHDSACASA-N	323.397	1.625	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)C(=O)NNc1ncnc2ccsc12	837478425	FIIKSYXNRDIKTG-SECBINFHSA-N	316.390	1.747	50	20	DDGD	
CCC(C)(C)NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1cnn(C)c1	837969403	NKVBPGZIDBNGRP-HKMIMPICSA-N	318.377	1.564	50	20	DDGD	
CC1(C)C[C@@H](NC(=O)NNC(=O)[C@H]2CCCCO2)C(C)(C)O1	836392604	JVHLIOJANQYVFS-GHMZBOCLSA-N	313.398	1.232	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1C[C@@H](C)n2ccnc21	836191137	AFOWTSJPKJYOTA-YPMHNXCESA-N	313.361	1.842	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cnn(-c2ccccc2)c1C1CC1	910173469	MHBFKWMOTZUNGO-LBPRGKRZSA-N	314.389	1.707	50	20	DDGD	
Cc1ccc([C@H](O)[C@@H](C)NC(=O)/C(C#N)=C\c2cnn(C)c2)cc1	832400780	NVASEHGTYDNGOA-DKTUPHFTSA-N	324.384	1.874	50	20	DDGD	
O=C(NNc1c(Cl)cccc1Cl)C1(n2cnnn2)CC1	830315970	ZPBDNQBZSQAYRO-UHFFFAOYSA-N	313.148	1.612	50	20	DDGD	
COc1ccc(SCC(=O)NNC(=O)CC(F)(F)F)cc1	918366092	SZSXOLHIYSGHAN-UHFFFAOYSA-N	322.308	1.887	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCC1(N(C)C)Cc2ccccc2C1	741649506	UUPJOUYJXLREHX-FOWTUZBSSA-N	313.401	1.646	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)COCC2CCCC2)n1	839704533	UDUDNVVSOSQZOY-UHFFFAOYSA-N	321.425	1.973	50	20	DDGD	
Cc1cc(O)nc(CNC(=O)[C@]2(C)C[C@@H]2Br)n1	911863151	JUGJRJKCBONXDX-WRWORJQWSA-N	300.156	1.280	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C[C@@H]2CCCCO2)cc1	846374125	KCFONYHPVYIOHE-AWEZNQCLSA-N	306.362	1.804	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1ccc(C(=O)O)c(F)c1	842560043	DTGHUKKUPDTUIE-GXSJLCMTSA-N	308.309	1.789	50	20	DDGD	
CC(=NNC(=O)c1ccnc(N(C)C)c1)c1cnc(C)nc1C	741464262	NYNXTQCGUKUCHL-UHFFFAOYSA-N	312.377	1.708	50	20	DDGD	
O=C(Cc1cnn2ccccc12)NNC(=O)NC1CCCCC1	843752647	XJGOJRWVWDRYMX-UHFFFAOYSA-N	315.377	1.540	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)c2cc([N+](=O)[O-])ccc2O)[nH]1	749814037	HYAUNDOZSOVCEV-UHFFFAOYSA-N	318.245	1.091	50	20	DDGD	
CC(Cc1ccccc1C)=NNC(=O)Cc1cc(O)nc(O)n1	743446256	SSIWIXDOEBEHDF-UHFFFAOYSA-N	314.345	1.474	50	20	DDGD	
CN(C)[C@@]1(CNC(=O)NNC(=O)CC(C)(C)C)CCSC1	748646163	IJNHGPHNJUNFDY-CQSZACIVSA-N	316.471	1.190	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H](C)C(=O)OC(C)(C)C)cc1	840241144	PKHIGOKKLVSNKG-NSHDSACASA-N	320.389	1.988	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NN=Cc2cnon2)C1	841641181	VHNFIKHIDRYBGF-SNVBAGLBSA-N	323.353	1.167	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1ccc(C2CC2)cc1	842589275	IZXMCEFYJMBPCK-YGRLFVJLSA-N	324.402	1.299	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)CCc2ccccc2)CCCNC1	841970735	PMCMOYZHYMMYLH-KRWDZBQOSA-N	318.421	1.339	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cnn2c(-c3ccccc3)ccnc12	746001342	KTYBNHLNRXREEQ-UHFFFAOYSA-N	324.344	1.312	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N[C@@H](CN)C1CC1)c1ccccc1	841945771	XKXMUINAUHGWKQ-ZDUSSCGKSA-N	304.394	1.032	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)C1CC2(CCC2)C1	843753574	STURMWIWZKACOH-UHFFFAOYSA-N	312.373	1.764	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@@H]2CCS[C@@H]2C)cc1	845286507	WZTROSMASCAEPC-ZWNOBZJWSA-N	323.418	1.922	50	20	DDGD	
COc1nc(Cl)c(C=NNC(=O)[C@@H]2CCO[C@@H]2C)s1	842550858	ALZFTXLFXPTNOP-RNFRBKRXSA-N	303.771	1.680	50	20	DDGD	
CC(=NNC(=O)C1CC1)c1ccc(O)c(CN2CCOCC2)c1	916290729	MTHRMVROCJROLX-UHFFFAOYSA-N	317.389	1.475	50	20	DDGD	
CCC(=NNC(=O)Cc1cc(O)nc(O)n1)C1CCCCC1	743446373	UZNJLLQGCDNKNW-UHFFFAOYSA-N	306.366	1.893	50	20	DDGD	
CS(=O)(=O)C[C@H]1CCN(C(=O)c2cccc(CCl)c2)C1	1337289975	RMLHMGABEYKNID-LBPRGKRZSA-N	315.822	1.932	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)C[C@@H]1CCC[C@H]1N	846671747	XZKDLGYOIAVPCA-WDEREUQCSA-N	311.407	1.051	50	20	DDGD	
CN(C)C(=O)NNS(=O)(=O)c1ccc(-c2ccccc2)cc1	745834137	MQJKCUDIRRZYOW-UHFFFAOYSA-N	319.386	1.818	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)c1conc1C1CC1	848322262	VLLVKLMBSACPEH-UHFFFAOYSA-N	324.138	1.861	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)/C=C\c1ccc2c(c1)OCO2	843637001	ABDNUSVHWSOFMC-CNNPOGIWSA-N	318.329	1.001	50	20	DDGD	
COCC(COC)NC(=O)NNc1cc(Cl)ccc1C	922728811	CFSHZFNNKJJOJH-UHFFFAOYSA-N	301.774	1.936	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)COCc1ccccc1)C(C)C	743638080	NNTBNSMHADGETR-CQSZACIVSA-N	323.393	1.205	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNc1cccc(C(F)(F)F)n1	846635521	OXVHTEOYVVSEMM-UHFFFAOYSA-N	318.299	1.706	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1c(F)c(F)cc(F)c1F	748529770	SMTCPWYROPBQOC-UHFFFAOYSA-N	307.247	1.987	50	20	DDGD	
COc1cc(C)c(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1OC	843651553	DLEUUAVVOSXEER-GHMZBOCLSA-N	322.361	1.198	50	20	DDGD	
C[C@H](C(=O)NNc1cnc2ccccc2n1)[C@@H](C)S(C)(=O)=O	841425580	RANDJNZEGNRQCQ-VHSXEESVSA-N	322.390	1.142	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H](c1ccc(Cl)cc1)N(C)C	847401938	SXSMHNWHKCRTOD-LBPRGKRZSA-N	312.801	1.682	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1c(C)nn(C(C)(C)C)c1C	755764860	UQFRMZLKSACBAV-ZDUSSCGKSA-N	324.425	1.757	50	20	DDGD	
C[C@H]1CN(C2CC2)CC1=NNC(=O)c1cccc([N+](=O)[O-])c1	755874710	PYZJEFYTVIHFEH-JTQLQIEISA-N	302.334	1.795	50	20	DDGD	
CN1CCC(NC(=S)NNC(=O)NC2CCCCC2)CC1	920307857	YSGUGFXQGRBIEG-UHFFFAOYSA-N	313.471	1.092	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C2(C(=O)O)CCCCCC2)n1	852943400	UVRVBZRPKDNUFI-UHFFFAOYSA-N	306.366	1.962	50	20	DDGD	
C[C@@H]1COCCN(C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	856953340	KMUJXUXQPRRSCG-JBLDHEPKSA-N	305.216	1.838	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@H]1NC[C@H](CBr)C1CC1	859279330	OVZSPXZLXPUKQT-QJPTWQEYSA-N	303.244	1.912	50	20	DDGD	
CC1(CNC(=O)NC[C@@]2(C)C[C@@H]2Br)CCNCC1	857104454	SSZNCYJYXGFALD-GXFFZTMASA-N	318.259	1.849	50	20	DDGD	
CCC(=O)c1cc(C(=O)NNC(=O)c2ccc[nH]2)ccc1F	756872208	FTZINOFEECDOIY-UHFFFAOYSA-N	303.293	1.821	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@H]1CCc2nnc(C)n2C1	855366428	FRVVXWLGUHQZLP-NSHDSACASA-N	303.341	1.740	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1scnc1C1CC1	757801738	XBVWZKOJLGVNRW-UHFFFAOYSA-N	317.374	1.811	50	20	DDGD	
CCCNC(=O)NN=Cc1cc(O)c(O)c(Br)c1	757573930	DVGQBXXBMOTGDW-UHFFFAOYSA-N	316.155	1.903	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)c(Cl)c1	755285797	UFQGVMSJVUEGEP-UHFFFAOYSA-N	308.725	1.075	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@H]2COc3ccccc3O2)CN1C1CC1	753954725	GTPAWVOJWVUFDL-BDJLRTHQSA-N	315.373	1.555	50	20	DDGD	
Cc1nc2ccc(NC(=O)NNC(=O)c3c[nH]nc3C)cc2o1	755624369	GNDKVNGJXWMDTL-UHFFFAOYSA-N	314.305	1.634	50	20	DDGD	
Nc1ccc(C(=O)NNc2ccncn2)cc1OC(F)(F)F	857521192	BLTBKHOBDMTSOL-UHFFFAOYSA-N	313.239	1.714	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCO[C@@H]3CCC[C@@H]32)cc1	859640230	SFZLWCKDCWHSIJ-LSDHHAIUSA-N	317.389	1.009	50	20	DDGD	
CC(C)Oc1cccc(C=NNC(=O)CN2CCCC2=O)c1	921255910	GQFCNEFMHIQZAV-UHFFFAOYSA-N	303.362	1.546	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(C(=O)OC)ccc1OC(C)C	756258757	IWVPIMPALDDWOL-UHFFFAOYSA-N	323.349	1.823	50	20	DDGD	
CCNC(=O)NNS(=O)(=O)c1ccc(-c2ccccc2)cc1	920832281	JVADQWSCNJDWGH-UHFFFAOYSA-N	319.386	1.866	50	20	DDGD	
C=C[C@](C)(O)C(=O)NNC(=O)c1ccc(OCCC(C)C)cc1	854199570	SSXIOTAQKMGPBJ-KRWDZBQOSA-N	320.389	1.810	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccoc2CC(N)=O)C[C@H]1Br	857388394	RMUOCSQLBNVCQZ-SKDRFNHKSA-N	315.167	1.211	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H](C)CN2CCC(C)CC2)n1	852601635	LIKOOBQPKOADGK-CYBMUJFWSA-N	321.425	1.837	50	20	DDGD	
CCCCCCC(C)=NNC(=O)N[C@H]1CCS(=O)(=O)C1	920384921	SIEXSTGSPLYRNR-LBPRGKRZSA-N	303.428	1.819	50	20	DDGD	
CCCNC(=O)NNC(=O)CCCc1ccc(OC)cc1OC	753970892	OPASJBYVIRXATF-UHFFFAOYSA-N	323.393	1.767	50	20	DDGD	
O=C(C[C@H](O)c1cccc(F)c1)NNC(=O)c1ccccn1	757983116	POMAHZFJVSVKLK-ZDUSSCGKSA-N	303.293	1.105	50	20	DDGD	
Cn1nncc1NNC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C	857271152	CDIDUTVCEUSIMN-SNVBAGLBSA-N	324.385	1.048	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@@H]1COCCN1CC(F)F	855368932	BTZPZXDSKUFUJR-LBPRGKRZSA-N	317.311	1.543	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CCn3cncc3C2)C[C@@H]1Br	857395492	SEIOXWKAMIVCBV-SUZMYJTESA-N	312.211	1.735	50	20	DDGD	
C[C@]1(CNC(=O)NCCCCC(=O)O)C[C@H]1Br	857100502	FPQCUEXUGDAHSZ-LDYMZIIASA-N	307.188	1.714	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(-c2ccccc2)ns1	756788490	VKGYTRHMIMHAFA-UHFFFAOYSA-N	320.374	1.999	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNC(=O)COc1ccc(C)c(C)c1	758367524	MVGJQQLBTGTSSA-GFCCVEGCSA-N	322.361	1.029	50	20	DDGD	
CC1(C)CCC[C@H](C=NNC(=O)Cc2cc(O)nc(O)n2)C1	752734516	QWSVUQSXIBYYCZ-JTQLQIEISA-N	306.366	1.749	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccccc1C#Cc1ccccc1	756848967	ABQUCTGIJBKBMS-UHFFFAOYSA-N	323.352	1.886	50	20	DDGD	
Cc1ccc(CO[C@H](C)C(=O)NNC(=O)c2c[nH]nc2C)cc1	859265943	BYWWKNIZAXEVKW-GFCCVEGCSA-N	316.361	1.393	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N[C@@](C)(C2CC2)C(F)(F)F)n[nH]1	933579597	NWBSWTYPNSSEJP-NSHDSACASA-N	319.287	1.393	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(C)ncn2)c([N+](=O)[O-])c1	759610366	ZNBRWRSPDJXPJZ-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
CC1(C)C[C@]1(NCC(=O)NNC(=O)C1CC1)c1ccccc1	852772127	JYJINRXRNOOYKJ-KRWDZBQOSA-N	301.390	1.459	50	20	DDGD	
CN(C)C(=O)N1CCC(NC[C@@]2(C)C[C@@H]2Br)CC1	856808566	AODWNKVTHSSTSC-WCQYABFASA-N	318.259	1.896	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	755324047	KFVVTCDENKKEBN-UHFFFAOYSA-N	314.301	1.585	50	20	DDGD	
Cc1c(NCc2cccc(B(O)O)c2)cccc1-c1ncco1	864013062	KBITYCNUUMAYAL-UHFFFAOYSA-N	308.146	1.942	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)NCCCOC)[C@H](C)C1	761261064	LLWXNYSEOKLIHY-NEPJUHHUSA-N	313.398	1.677	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1csc(CO)n1	869455171	RQYRIDKXNYBCQW-UHFFFAOYSA-N	305.228	1.067	50	20	DDGD	
CCOc1ccc(Cl)cc1C(C)=NNC(=O)[C@H]1CCC(=O)N1	863148372	AMBWOZZIQAWAIK-GFCCVEGCSA-N	323.780	1.858	50	20	DDGD	
O=C(Cc1cc(F)cc2c1OCOC2)NNc1ncc(F)cn1	760912164	NNWPSKLDFOTLTP-UHFFFAOYSA-N	322.271	1.307	50	20	DDGD	
O=C1NCCC[C@H]1C(=O)NNc1ccc(C(F)(F)F)cn1	867492552	AJMRUVWIRSWPHR-MRVPVSSYSA-N	302.256	1.070	50	20	DDGD	
CC(C)OCc1cccc(NC(=O)NNC(=O)c2cn[nH]c2)c1	860522440	MWCBZBOGIKUTOQ-UHFFFAOYSA-N	317.349	1.801	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnc(-c2cccnc2)s1	761359247	CUBOYVFSGUNMKF-UHFFFAOYSA-N	319.415	1.500	50	20	DDGD	
CN1CCC(=NNC(=O)c2cccc(Br)c2)C1=O	761809197	FMXKTYPIWLRWKD-UHFFFAOYSA-N	310.151	1.397	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)N(C)NC(=O)OCc1ccccc1	862288939	JUBBGSRDWYENED-UHFFFAOYSA-N	321.377	1.449	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)NNC(=O)c2c[nH]c3ccccc23)CN1	861685801	QJAOPEJHXGACIA-MNOVXSKESA-N	315.377	1.252	50	20	DDGD	
O=C(C[C@H]1CCS(=O)(=O)C1)NNc1cccc(F)c1Cl	862505928	FRTZVCPLBNSYJQ-MRVPVSSYSA-N	320.773	1.747	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCC(=O)N1)c1nc2c(s1)CCCC2	863148232	WWVBYOLUAKLWDQ-SNVBAGLBSA-N	306.391	1.141	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H](C)Cn2ccc(C)n2)nc1	867015264	CVJZFTKIIMPOOZ-JTQLQIEISA-N	317.349	1.153	50	20	DDGD	
CCc1oc2ccccc2c1C=NNC(=O)CS(C)(=O)=O	863187602	BYMJUNQAEWLCMI-UHFFFAOYSA-N	308.359	1.490	50	20	DDGD	
CCNC(=O)CCCC(=O)N(C)NC(=O)OCc1ccccc1	862287794	VPNJFWXBXRZQJK-UHFFFAOYSA-N	321.377	1.593	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCC(=O)N1)c1cccc(Br)c1	863145728	GNMAHXVZPSADAJ-LLVKDONJSA-N	324.178	1.568	50	20	DDGD	
CN(N=Cc1cn(-c2ccc(Cl)cc2Cl)nn1)C(N)=O	767908683	CJHNVAVRYZOJJF-UHFFFAOYSA-N	313.148	1.919	50	20	DDGD	
CC(=O)N/C(=C/c1ccccc1)C(=O)NN[C@H](C)C(F)(F)F	862305502	OWUDFOSDCWDKQK-YXYQAXARSA-N	315.295	1.735	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cn(C2CC2)nn1	860606280	UFNLVZOLEFRJHA-UHFFFAOYSA-N	301.306	1.157	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1	765411620	XMVPPVOZTGLPQV-LBPRGKRZSA-N	322.365	1.904	50	20	DDGD	
CNc1c(C(=O)NNc2ccc(Cl)nn2)cccc1[N+](=O)[O-]	765853207	XTNUYRYLEBEFAH-UHFFFAOYSA-N	322.712	1.837	50	20	DDGD	
CC(C)(C)c1ccccc1OCC(=O)NNC(=O)c1cn[nH]c1	862473683	XOTTVDCGZCRQBU-UHFFFAOYSA-N	316.361	1.547	50	20	DDGD	
COCCC1(CNC(=O)NNC(=O)c2ccccc2F)CCC1	760829570	OHUWVYAQQAVQTE-UHFFFAOYSA-N	323.368	1.977	50	20	DDGD	
N#Cc1ccc(NNC(=O)/C=C\CN2CCOCC2)cc1Cl	867378106	RESOSWSVTIILRY-UPHRSURJSA-N	320.780	1.543	50	20	DDGD	
CCS(=O)(=O)C[C@@H](C)N(C)C[C@@H](C)CBr	133788652	WZNLSRCTOJKMGY-VHSXEESVSA-N	300.262	1.772	50	20	DDGD	
CCC(CC)[C@@H](C)C(=O)NNC(=O)CNC(=O)c1cccnc1	761489586	ZIWMJHPUGSMYND-LLVKDONJSA-N	320.393	1.031	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)Cn2nccc2C)c1	873758734	WUUPQHNLKITCJK-UHFFFAOYSA-N	317.418	1.826	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1cn(C)cn1	872327241	KURGHHASJMIRNW-AWEZNQCLSA-N	300.318	1.100	50	20	DDGD	
N#CCC(=O)NNC(=O)c1ccc(F)cc1Br	772276804	NUCOYTKVPBAOMD-UHFFFAOYSA-N	300.087	1.263	50	20	DDGD	
COc1ccnc(NNC(=O)Cc2ccccc2SC)n1	777303108	XKJCCWGYJFUGLS-UHFFFAOYSA-N	304.375	1.893	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H](c1ccccc1)N1CCCC1	874976503	VPBZELZJFNDNNW-AWEZNQCLSA-N	320.393	1.736	50	20	DDGD	
CN1C(=O)CCc2cc(C=NNC(=O)c3cccn3C)ccc21	774362251	JBFUFSYWRGEYAE-UHFFFAOYSA-N	310.357	1.698	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCC[C@H](C)C1	772160398	VZLCFMYMWQCEAB-AVGNSLFASA-N	312.410	1.938	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1ccc(F)cn1	770600936	CYGHMTCUWAWMBN-UHFFFAOYSA-N	304.281	1.084	50	20	DDGD	
COCCOc1ccc(F)cc1NC(=O)NN(C)CCOC	878567961	GDYRUNIQPZNUEZ-UHFFFAOYSA-N	315.345	1.466	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CCOCC2)nc2ccccc12	1119344018	DQCNTMGOIVFAIR-UHFFFAOYSA-N	313.357	1.731	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCc2c(Cl)cccc21	775723621	CGFUZDUIWOBUOC-NSHDSACASA-N	318.764	1.863	50	20	DDGD	
O=C(NNc1ccccc1OC(F)(F)F)C1(O)CCOCC1	779210107	WYPJGLFNSIIHEY-UHFFFAOYSA-N	320.267	1.570	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CCC(C)(C)O)c1	874949994	LFJWKDALGMRLRZ-UHFFFAOYSA-N	305.403	1.537	50	20	DDGD	
Cc1cc(C(=O)NNc2nc(O)c3cnn(C)c3n2)ccc1F	770980612	ROQSSUMVIKVLDB-UHFFFAOYSA-N	316.296	1.273	50	20	DDGD	
COCc1cc(C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)no1	771592432	NJGYUSMYFAWKHV-UHFFFAOYSA-N	310.241	1.625	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CC[C@]1(C)CCC(=O)N1	774853666	QIPIPIUEYJUZPJ-HNNXBMFYSA-N	305.382	1.492	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc(C(N)=O)o1	777479787	QYRLWXDDWVAQIE-UHFFFAOYSA-N	310.313	1.992	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H](C)c2cnccc2C)n1	771443273	WBOGDOLYDNFIFG-LLVKDONJSA-N	316.365	1.884	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N(C)C)nn1-c1ccc(Cl)cc1	778251913	GYDRQUNHWOTUKU-UHFFFAOYSA-N	321.768	1.750	50	20	DDGD	
Cc1cc(C)n(CCC(=O)NNC(=O)NC2CCCCC2)n1	888382262	NXVYAMKVMVUABR-UHFFFAOYSA-N	307.398	1.553	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNc1ccccc1S(C)(=O)=O	1120709482	RCWTWQUFSRSYAC-CMPLNLGQSA-N	312.391	1.348	50	20	DDGD	
Cc1ccc(C(F)(F)C(=O)NNc2ncnc3[nH]cnc23)cc1	780534894	YZOBLRBMCSFNKO-UHFFFAOYSA-N	318.287	1.896	50	20	DDGD	
COc1ncc(C)cc1NC(=O)NNc1ncncc1Cl	782048464	JEWDYEIZJOTXDL-UHFFFAOYSA-N	308.729	1.991	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(NC(C)=O)ccc2O)nc1	781533994	RCNJYWQINXYKJH-UHFFFAOYSA-N	316.317	1.511	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)CCOC1CCOCC1	788180999	ITQMAKFIIOVADA-UHFFFAOYSA-N	312.341	1.863	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@@H](C)N2CCCCC2)n1	780025546	GBHWOAPBLWVPGW-GFCCVEGCSA-N	307.398	1.591	50	20	DDGD	
CCc1cccc(Cl)c1C=NNC(=O)CN1CCCC1=O	788705770	XNAAIBLEJZXVIB-UHFFFAOYSA-N	307.781	1.975	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1C[C@@H](O)[C@H](Cc2ccccc2)C1	890515235	LACXKDWQYCWMKO-BTAXDJAESA-N	300.358	1.492	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=CC2CCC3(CC2)OCCO3)n1	788704151	NCAWUFDIGCBIRC-UHFFFAOYSA-N	320.393	1.535	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CCCN2C2CC2)c([N+](=O)[O-])c1	787441139	COLJZUAWYLSOGE-CYBMUJFWSA-N	320.349	1.673	50	20	DDGD	
C[C@@]1(C(=O)N[C@@H]2Cc3ccccc3[C@H]2O)C[C@H]1Br	891090798	VBIKNCJQNBVUBK-HKUMRIAESA-N	310.191	1.934	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)NCC(F)(F)F)[C@H](n2cncn2)C1	794493761	FTHDWLGWZQXFDV-PSASIEDQSA-N	318.303	1.857	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCCO2)c1ccc(O)nn1	790155598	NCVYKYGYJOLHJA-UHFFFAOYSA-N	314.301	1.107	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2c[nH]c3cccnc23)cc1	791198890	FWGHNSNXUXUQST-UHFFFAOYSA-N	324.340	1.711	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(OCCC(=O)NNc2ncccn2)c1	798318294	CZJVBMRCUGUFGZ-UHFFFAOYSA-N	317.305	1.605	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccc(Cn2cccn2)o1	791242519	IRJHOUDQWSMBSA-UHFFFAOYSA-N	323.316	1.324	50	20	DDGD	
O=C(O)Cn1cc(C=NNC(=O)c2ccccn2)c2ccccc21	799866198	XHJUQTPMSOMGJJ-UHFFFAOYSA-N	322.324	1.885	50	20	DDGD	
CC(=NNC(=O)COCc1ccccc1)C(C)(C)n1cncn1	794515307	QSQRXKCDKXHLCR-UHFFFAOYSA-N	315.377	1.722	50	20	DDGD	
O=C(NNc1cccc(F)c1)C(=O)Nc1cccc2c1CCO2	797042811	HSPNUTRBUNTYSN-UHFFFAOYSA-N	315.304	1.842	50	20	DDGD	
CC(C)(C)N1CC[C@H](CNS(=O)(=O)CBr)C1	692974722	BRJPFDLCWZSKKP-SECBINFHSA-N	313.261	1.379	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCc2ccccc2C(N)=O)o1	792215271	NHGJGRZKRHHSSM-UHFFFAOYSA-N	315.329	1.081	50	20	DDGD	
COCc1ncc(C(=O)NNC(=O)Cc2ccccc2F)s1	796302638	ZYDOWWOQGNBXLT-UHFFFAOYSA-N	323.349	1.432	50	20	DDGD	
Cn1ccc(NNC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)n1	1322274198	UKIWYFGBOUZBNE-UHFFFAOYSA-N	309.329	1.736	50	20	DDGD	
Cc1cc([C@@H](C)NC(=O)NNC(=O)N=c2cc[nH]cc2)c(C)o1	1328123423	ZXLMWKHQADSWQY-SNVBAGLBSA-N	317.349	1.810	50	20	DDGD	
CN(C)c1ncccc1C=NNC(=O)Cn1cnc2ccccc21	1327092751	ZCRUTEFMEARFGM-UHFFFAOYSA-N	322.372	1.648	50	20	DDGD	
Cc1conc1NC(=O)NNC(=O)c1cccc2ncccc12	1320257930	GSGOQYJZOPDZRG-UHFFFAOYSA-N	311.301	1.998	50	20	DDGD	
COC(=O)C(=O)NN=Cc1cccc(C(=O)OC(C)(C)C)c1	1320128862	SNQMKCFNEKWDJV-UHFFFAOYSA-N	306.318	1.265	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@@H](CC(C)C)OC)cc1	1325338875	NMUXBZSDVFEYLR-CQSZACIVSA-N	323.393	1.700	50	20	DDGD	
C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)NNC(=O)C1CCNCC1	1326123440	OHPGPRMTVMCBBC-YOEHRIQHSA-N	316.405	1.047	50	20	DDGD	
C[C@H](NNC(=O)c1cc(=O)n(C)c2ccccc12)C(F)(F)F	1329522414	QTQDDOCHTZXHHL-QMMMGPOBSA-N	313.279	1.724	50	20	DDGD	
COc1cc(C(=O)NNC(=O)Nc2ccccc2C)ccn1	1321298891	JQMMCOFSOTXMFR-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
C[C@]1(CNC(=O)c2ccc(C(N)=O)nc2)C[C@H]1Br	1328662661	QHPZOTUOYICJEU-BXKDBHETSA-N	312.167	1.084	50	20	DDGD	
CC(C)CN(CC(=O)NNC(=O)c1cccc(C#N)c1)C(C)C	1253655058	WLPONMLOTZEXRR-UHFFFAOYSA-N	316.405	1.686	50	20	DDGD	
Cc1nc2c(C(=O)NNc3nnc(C)c(O)n3)cccc2o1	1339584192	QVKKXHBODYPLEJ-UHFFFAOYSA-N	300.278	1.092	50	20	DDGD	
CN(C)[C@@H]1CCCC[C@H]1NC(=O)NNc1ccc(C#N)cn1	1331290768	ZLJPOCBLVCQAAZ-CHWSQXEVSA-N	302.382	1.452	50	20	DDGD	
Cc1nc2ccccn2c1CNC(=O)NNC(=O)C1CCCC1	1340548224	DCGXPDAOXWMSMN-UHFFFAOYSA-N	315.377	1.663	50	20	DDGD	
Cc1sc(C(=O)NNC(=O)CCCc2ccccc2)nc1O	1346428478	YERNLTHGXNRJAB-UHFFFAOYSA-N	319.386	1.941	50	20	DDGD	
Cc1ccc(C)c(-c2cc(C(=O)NNC(=O)[C@H]3C[C@H]3F)n[nH]2)c1	1346722372	SDWXXBYCCFJHHQ-NWDGAFQWSA-N	316.336	1.813	50	20	DDGD	
COc1cc(C)c(C(C)=NNC(=O)C[N+](C)(C)C)cc1OC	1344416278	PQGXGMHVTPFSKU-UHFFFAOYSA-O	308.402	1.559	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1nncc(N)c1Cl)CC(C)C	1261373528	IKYWQKVAAXZMLK-MRVPVSSYSA-N	316.793	1.399	50	20	DDGD	
N#CC1(CNC(=O)NNc2c(F)cccc2F)CCOCC1	1519847639	GYQFZMCDKYILJO-UHFFFAOYSA-N	310.304	1.911	50	20	DDGD	
O=C(NNc1ncccc1F)c1ccc(-c2nn[nH]n2)s1	1609559559	OVAZGBWFSZWUDY-UHFFFAOYSA-N	305.298	1.219	50	20	DDGD	
Cc1cc(=NNC(=O)NCc2ccc(C(=O)O)s2)cc[nH]1	1607695783	QUBXJJPEJRWOEW-UHFFFAOYSA-N	306.347	1.398	50	20	DDGD	
N#Cc1cccc(C(=O)NNc2cccc(C(=O)O)c2F)n1	1608215474	SJHJSYLWSWOLLF-UHFFFAOYSA-N	300.249	1.547	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cn1)C(F)(F)F	1603449251	YUHXNPVRIOLAKP-LURJTMIESA-N	315.259	1.293	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)c1cnn(C(F)F)c1	1608483246	LFOASIXWCQOPGI-UHFFFAOYSA-N	314.223	1.872	50	20	DDGD	
O=C(Cn1ccc(C(=O)O)n1)NNc1cc(F)c(F)c(F)c1	1601384569	LUPRMCPMQAUYQU-UHFFFAOYSA-N	314.223	1.142	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@H]2CC[C@@H]3CCCCN32)c1	1602448445	NVGHKIOPLKQTEW-UONOGXRCSA-N	303.362	1.845	50	20	DDGD	
Cc1ccc(NNC(=O)COC[C@H]2CCCO2)cc1C(=O)O	1607810251	VXRIJNUXRPCBJN-GFCCVEGCSA-N	308.334	1.332	50	20	DDGD	
CCOCCONC(=O)NNc1ccc(C(=O)O)c(F)c1	1610036963	NOTWSJSAHCXEMT-UHFFFAOYSA-N	301.274	1.118	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@H]2CCCO[C@@H]2c2nccn2C)CCO1	1549311609	STGPELQHVJWLLX-XBFCOCLRSA-N	320.393	1.559	50	20	DDGD	
Cc1nocc1C=NNC(=O)[C@H]1CCCO[C@H]1c1ccnn1C	1549315935	PLAJGPCWDFVCPX-GXTWGEPZSA-N	317.349	1.335	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccccc2C(=O)O)s1	1610207419	RWOBYJKAQMMXBT-UHFFFAOYSA-N	320.326	1.990	50	20	DDGD	
CC(CCN(C)C)=NNC(=O)[C@H]1CCCO[C@@H]1c1nccn1C	1549312513	WNAROMZMZADIBZ-KBPBESRZSA-N	321.425	1.332	50	20	DDGD	
Cc1cc(CN)cc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	1579594385	ZVEJBHIWCFBTPV-GWCFXTLKSA-N	306.366	1.031	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccccc1OCc1cnn[nH]1	1576918286	LYXGNHDENIGNIP-UHFFFAOYSA-N	320.309	1.118	50	20	DDGD	
N[C@H]1C[C@@H](C(=O)NNC(=O)CCSc2ccc(F)cc2)C1	1580419000	MEFFQKBHYHJIMX-JGZJWPJOSA-N	311.382	1.193	50	20	DDGD	
NCCCC(=O)NNC(=O)[C@@H](OC1CCCC1)c1ccccc1	1580289249	NKBMAHOPIYHNOM-INIZCTEOSA-N	319.405	1.573	50	20	DDGD	
N[C@H](C(=O)NNC(=O)c1nc2ccccc2s1)C1CCC1	1580115411	VSRXWIUILIYVKT-NSHDSACASA-N	304.375	1.185	50	20	DDGD	
COCCN(CC(C)C)NC(=O)c1cc(C)cc(C(=O)O)c1	1599234806	DQRNHSFVLYEZOZ-UHFFFAOYSA-N	308.378	1.942	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)c2ccoc2)[nH]c(C)c1C(=O)O	1596042495	UXSRGSUHHMXUPB-UHFFFAOYSA-N	319.317	1.642	50	20	DDGD	
CCc1cc(CNC(=O)NNc2ccc(F)c(C(=O)O)c2)on1	1597478755	UUSCTLNBYSLUOI-UHFFFAOYSA-N	322.296	1.901	50	20	DDGD	
CN(CC(=O)NNc1ccc(CC(=O)O)cc1)c1ccccc1	1598396908	XPTUHKRJDPRDAM-UHFFFAOYSA-N	313.357	1.893	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H](C(=O)O)C2CCCC2)n1	1594453496	QUIDKIGUGGTCJJ-NSHDSACASA-N	312.757	1.773	50	20	DDGD	
O=C(NCc1ccco1)NN=Cc1cc(Cl)ncc1C(=O)O	1776039202	XATDDDBVSZFAQA-UHFFFAOYSA-N	322.708	1.860	50	20	DDGD	
CS(=O)(=O)/C(C#N)=C\c1ccc(OCC(=O)O)c(Cl)c1	1777395525	KJLLTAZUWHJKJP-WTKPLQERSA-N	315.734	1.712	50	20	DDGD	
C[Si](C)(C)OCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CC1)C2	1798629672	LXCRBYKXFUHITF-BTTYYORXSA-N	324.497	1.886	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(C)c(C)c2)n1	5704549	NZOOXMXVCMCKIS-UHFFFAOYSA-N	300.362	1.578	50	20	DDGD	
O=C(NN[C@H](C(=O)N1CCCCC1)c1ccccc1)C1CC1	15472211	KXEOHEMESUPBCX-HNNXBMFYSA-N	301.390	1.771	50	20	DDGD	
Cc1ccc(O)c(C(=O)NNC(=O)c2c(C)nc3ccccn23)c1	17580627	WTNSAQPITMVKPB-UHFFFAOYSA-N	324.340	1.732	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(C(=O)c2ccccc2)CC1	158585351	NCBBLEGRQFFTRV-SQFISAMPSA-N	313.357	1.415	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)c1c(C)nc2ccccn12	160306018	VWJPBNYNRPIAOX-UHFFFAOYSA-N	304.350	1.076	50	20	DDGD	
CCCNC(=O)NNC(=O)c1csc(-c2ccc(C)n2C)n1	160717193	YYPMSSCGZLJCMN-UHFFFAOYSA-N	321.406	1.811	50	20	DDGD	
C[C@H]1OCC[C@H]1SCC(=O)NNC(=O)c1cccs1	163518874	KYTBLPPYOWNGIF-RKDXNWHRSA-N	300.405	1.420	50	20	DDGD	
C[C@@H](CC1CCCC1)C(=O)NNC(=O)C(=O)Nc1ccccn1	152106412	OHNTVDJNLOXKSW-NSHDSACASA-N	318.377	1.384	50	20	DDGD	
O=C(CC1=CCCCC1)NNC(=O)C(=O)Nc1ccccn1	152149259	MFYXPKXXKWAVBE-UHFFFAOYSA-N	302.334	1.058	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)/C=C/c1ccccc1	156121957	KLBWPPOVUVRWTG-ZHACJKMWSA-N	303.362	1.152	50	20	DDGD	
COc1ccc(NNC(=O)C[C@H]2C(=O)Nc3ccccc32)nc1	159232672	YSTWSNMGHKDQGE-GFCCVEGCSA-N	312.329	1.659	50	20	DDGD	
COc1ccc(NNC(=O)c2cnn3c(C)cc(C)nc23)nc1	159513083	XTKPHVUZKLZJOS-UHFFFAOYSA-N	312.333	1.507	50	20	DDGD	
Cn1cnnc1[C@@H]1CCCN(S(=O)(=O)CCCCCl)C1	163423182	NMAQVJXFHBIHCO-LLVKDONJSA-N	320.846	1.343	50	20	DDGD	
O=C(NNC(=O)c1ccccc1N1CCCC1=O)c1ccccc1	8350302	XYBBZJSZYPQTNY-UHFFFAOYSA-N	323.352	1.888	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cc2c(s1)CCCCC2	53919636	PBTWAWRUPNBOLW-UHFFFAOYSA-N	323.418	1.704	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccccc1	172134652	SIEWAPJBGLIKKB-TUVASFSCSA-N	302.374	1.895	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cn1cc(C)c2ccccc21	51481116	WZONAHRZQIVBGT-UHFFFAOYSA-N	302.403	1.631	50	20	DDGD	
CNC(=O)NNC(=O)c1nc(C(C)C)n(-c2cccc(F)c2)n1	117765770	GCDUQTRBSKBOJE-UHFFFAOYSA-N	320.328	1.104	50	20	DDGD	
CCSc1cc(C(=O)NNC(=O)c2cnn(C)c2)ccn1	117679858	VZNSPVUVGMITTC-UHFFFAOYSA-N	305.363	1.002	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	67997306	YXMNUFHXAVHDIG-MRVPVSSYSA-N	318.402	1.979	50	20	DDGD	
CC(C)(C)[S@](=O)CCNC(=O)NNC(=O)c1ccccc1	116937237	GBCDKPFTGNYGPE-NRFANRHFSA-N	311.407	1.178	50	20	DDGD	
CCCNC(=O)CCC(=O)NNc1cc(F)c(F)cc1F	115719449	ROQZBUNVFWUZSZ-UHFFFAOYSA-N	303.284	1.853	50	20	DDGD	
CC[C@@H](C)N(C)CCNC(=O)NNc1ccc(Cl)nn1	66202785	QEAVOFUGAZUDBS-SECBINFHSA-N	300.794	1.486	50	20	DDGD	
CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)NNC(C)=O	66278737	HAFMVVPSRQKYEK-ZDUSSCGKSA-N	323.418	1.014	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)Cc2ccoc2)nc2ccccc21	119118931	CLCPBFAAPALWAD-UHFFFAOYSA-N	312.329	1.099	50	20	DDGD	
O=C(NC[C@H]1C[C@H]2CC[C@@H]1C2)NNC(=O)c1ccccc1O	171232397	BNYONLFMOGCQEU-QJPTWQEYSA-N	303.362	1.772	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCSc2ccccc2F)cn1	117678828	LLWHOETVVWFVPC-UHFFFAOYSA-N	322.365	1.503	50	20	DDGD	
C[C@H](Oc1ccc(C#N)cc1)C(=O)NNc1ccc(Cl)nn1	118499697	HRCWWWQNWSYYJG-VIFPVBQESA-N	317.736	1.912	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)Cc1ccccc1F)N(C)C1CC1	66978504	MZCUBMDUFCYJJU-LLVKDONJSA-N	322.384	1.181	50	20	DDGD	
C[C@@H]1CC[C@@H](NC(=O)NNC(=O)Cc2cccnc2)[C@H](C)C1	113401246	RBUXDBLPNHINLA-YRGRVCCFSA-N	304.394	1.779	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1c(F)cncc1F)C1CC1	1352229729	MKNPYHXMAGZHHE-LURJTMIESA-N	300.334	1.267	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cnn1C	25484722	TYWKCJULUITSGP-JTQLQIEISA-N	320.324	1.096	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNC(=O)c1cc2ccccc2o1	177742390	JBNIIZNSRSCTPL-UHFFFAOYSA-N	317.345	1.356	50	20	DDGD	
Cc1cc(/C=C(/C#N)C(=O)NCC#N)c(C)n1C[C@H]1CCCO1	126782245	XRVDRPTVWSIZIM-QOBZYLRHSA-N	312.373	1.831	50	20	DDGD	
CCCN1CCC[C@@H]1C(=O)NNC(=O)CCOc1ccccc1	126151765	CDLWDJYZNRQXED-OAHLLOKOSA-N	319.405	1.477	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1cc(-c2ccccc2F)on1	128293678	PYKRAQNLHLRMHE-UHFFFAOYSA-N	314.276	1.884	50	20	DDGD	
Cc1nscc1C(=O)NNC(=O)Cc1cn2ccccc2n1	182103599	AGHKEZJUTRWDNH-UHFFFAOYSA-N	315.358	1.103	50	20	DDGD	
C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NNC(=O)N(C)C	187429503	MORHYJWUJGBZON-MRVPVSSYSA-N	319.283	1.775	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)CCc1ccc(OC)cc1	184298786	VNRHMQPJPXPOIV-UHFFFAOYSA-N	322.405	1.838	50	20	DDGD	
CCN(CC)[C@H](CNC(=O)NNC(=O)c1ccc[nH]1)CC(C)C	122687302	DQPYMCZZDNQXBW-ZDUSSCGKSA-N	323.441	1.715	50	20	DDGD	
NC(=O)[C@H]1CC[C@H](C(=O)NNc2ccccc2C(F)(F)F)O1	188999104	KCPFZWLDZDZQGR-NXEZZACHSA-N	317.267	1.181	50	20	DDGD	
CC(C)N(C)CC1CCN(S(=O)(=O)CCCCl)CC1	37842907	QHBYVUGFIOJZBK-UHFFFAOYSA-N	310.891	1.997	50	20	DDGD	
C[C@H](c1ccncc1)N(C)CC(=O)NNC(=O)c1ccccc1	180202949	HWVKSOBOEDPYFF-CYBMUJFWSA-N	312.373	1.536	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cccc(Cl)n2)cc1	126151254	UQSGGWMCIDITTK-UHFFFAOYSA-N	300.705	1.681	50	20	DDGD	
CCCOc1cn(-c2ccccc2)nc1C(=O)NN(C)C(N)=O	182665550	OEHDHFKJRRTYAF-UHFFFAOYSA-N	317.349	1.316	50	20	DDGD	
CC[C@@H](C)Oc1cc(C(=O)NNC(=O)c2ccc[nH]2)ccn1	183480424	ZSHGBKHIIWXNMB-SNVBAGLBSA-N	302.334	1.662	50	20	DDGD	
Cc1ccc(NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)cc1C	122126609	OZLWFNYBMXVTCY-CQSZACIVSA-N	311.407	1.507	50	20	DDGD	
Cn1nnc2cc(C(=O)NNc3ccc([N+](=O)[O-])cc3)ccc21	134210181	RFODNKGBFDPUGI-UHFFFAOYSA-N	312.289	1.633	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCCCOC(C)C)c1	45118528	VXRWRHGTYZNHDM-UHFFFAOYSA-N	323.393	1.519	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccc(C)c(O)c2)c(O)c1	89437177	BDYJTXUHJIZYEK-UHFFFAOYSA-N	314.341	1.718	50	20	DDGD	
CN(C)c1cccc(NC(=O)NNc2nc3ccccn3n2)n1	190223255	LOWFFNIFFUIFBY-UHFFFAOYSA-N	312.337	1.339	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1ccc([N+](=O)[O-])cc1)C1CCCC1	134161724	RZDQQSNSDHGFNV-AWEZNQCLSA-N	320.349	1.733	50	20	DDGD	
Cc1cccc(NNC(=O)CCCN2C(=O)NC(C)(C)C2=O)c1	194543361	JHNOJTBITDFQHP-UHFFFAOYSA-N	318.377	1.549	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1cn[nH]c1	192648433	DEBZEXHKFTZHBC-UHFFFAOYSA-N	302.378	1.777	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cnc(C)s2)cc1	195262176	WWGRACZTZYXKJY-UHFFFAOYSA-N	319.386	1.854	50	20	DDGD	
O=C(CNC(=O)c1cccc(F)c1)NNc1cccnc1Cl	85683182	CLCCESNFMNDUKC-UHFFFAOYSA-N	322.727	1.747	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)c2cccn2C)c(C)c1	97160715	MEHPENJKEGXNNX-UHFFFAOYSA-N	315.373	1.872	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cc(C(C)(C)C)nn2C)n1	149640183	ROXZSIWFQHNURF-UHFFFAOYSA-N	319.369	1.665	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)o1	246161829	QOSYRXYTNBENIQ-YUSALJHKSA-N	307.350	1.346	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)N2CCOCC2)s1	268570013	BOJMJTUYYMYNRD-UHFFFAOYSA-N	311.407	1.732	50	20	DDGD	
O=C(C[C@@H]1CCc2ccccc2C1)NNc1ncnc2nc[nH]c12	266513044	XVQUSTWGKNXGIQ-LLVKDONJSA-N	322.372	1.991	50	20	DDGD	
CCC[C@@H]1C[C@H]1NC(=O)NNC(=O)[C@H]1COc2ccccc2O1	267773276	ROQBCYKRIUYZRO-JTNHKYCSSA-N	319.361	1.345	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCC(=O)N1CCc2ccccc2C1	263974623	IUOTZROHRLNTTK-XNTDXEJSSA-N	313.357	1.131	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@]2(C)CCN(C(C)=O)C2)cc1	369986869	QBCZPQOLBDGVEJ-QGZVFWFLSA-N	317.389	1.269	50	20	DDGD	
CC[C@H](OC)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	278551027	PIMNERUNODBGLR-SKDRFNHKSA-N	314.769	1.680	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(CCC(=O)OC)cc1	276108186	ZMAKSRPYDDZFQW-UHFFFAOYSA-N	322.365	1.490	50	20	DDGD	
Cc1nnc(NC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)n1C	273147243	HAERZCFEUYRIRX-LFYBBSHMSA-N	309.333	1.188	50	20	DDGD	
O=C(NNc1ncccn1)Nc1ccc(O[C@H]2CCOC2)cc1	274839969	OGQIZZRIBPWEDR-ZDUSSCGKSA-N	315.333	1.793	50	20	DDGD	
CC(C)[C@@H]1C[C@H](CC(=O)NNC(=O)c2cccnc2)CCO1	273206302	OVBACPAOIZXGKQ-OCCSQVGLSA-N	305.378	1.684	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@]2(C)CCO[C@H]2C2CC2)n1	364158264	IIBFXXYSOZTRKS-HOCLYGCPSA-N	320.393	1.922	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)CCOCC2CC2)n1	279715961	UBBBKSMDNZYIAG-UHFFFAOYSA-N	306.366	1.103	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNC(=O)C2CCC2)cc1OC	272693122	GLUKGQVFVDFPDT-LLVKDONJSA-N	320.389	1.830	50	20	DDGD	
COCCN1CC[C@H](NC(=O)NNc2cc(Cl)ccn2)C1	272456028	RFYYXKGIURBRPO-NSHDSACASA-N	313.789	1.082	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)n1	378589958	PHWIVXHRRKZOJO-GDLCADMTSA-N	320.393	1.920	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)C1CCN(CC(F)F)CC1	288081313	QNMFZYVMXBWGMN-UHFFFAOYSA-N	319.743	1.550	50	20	DDGD	
O=C(C[C@H]1CCCC(=O)N1)NNC(=O)c1cc2ccccc2o1	289806043	QVBUOWFBVPJGIO-LLVKDONJSA-N	315.329	1.253	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@@H]2CCO[C@H](C)C2)n1	280282134	MVEXKLDSNMZRNB-VXGBXAGGSA-N	306.366	1.149	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@]12CCOC2)c1cc(Cl)ccc1O	373409304	SMYVXQOWWNOIPY-YGRLFVJLSA-N	310.737	1.233	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNc1ccc(C(F)(F)F)nn1	281123042	IFFIKAPQBZDULD-JGVFFNPUSA-N	316.283	1.944	50	20	DDGD	
CO[C@H](C(=O)NNC(=S)NCCc1cccs1)C1CC1	280874778	YSMOIZRLLBAQJH-NSHDSACASA-N	313.448	1.211	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@@H]2CCC(=O)[C@@H]2C)c(O)c1	280039009	LXZKOIGVOPWTQG-MNOVXSKESA-N	304.346	1.467	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)[C@H](CCSC)NC(N)=O	281845477	UCUJXLDBCQUNFB-LBPRGKRZSA-N	324.450	1.791	50	20	DDGD	
C[C@H]1CCCN(C(=O)C(=O)NNC(=O)Nc2ccccc2)C1	282863380	UBHUVMVLLRMBTN-NSHDSACASA-N	304.350	1.098	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)[C@@H]1CCCO1)Sc1ccccc1	293400571	MOHSBVKFZUUMQS-AAEUAGOBSA-N	323.418	1.677	50	20	DDGD	
COC1(CCNC(=O)NNC(=O)Cc2ccccc2F)CCC1	297904058	XSXYMJHDYKJJTB-UHFFFAOYSA-N	323.368	1.658	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC(F)(F)[C@H](CO)C1	293052424	FWRQVPZUFMVMKB-OTAKNEKHSA-N	322.311	1.775	50	20	DDGD	
C[C@H](CO[C@H]1CCOC1)NC(=O)NNc1ncc(F)cc1F	298124303	ZMHIYEBKIPLUGP-SCZZXKLOSA-N	316.308	1.180	50	20	DDGD	
COc1cc(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)on1	802002394	MNNRTKOWGXJIEX-UHFFFAOYSA-N	312.232	1.428	50	20	DDGD	
COc1cccc(CO[C@H](C)C(=O)NNC(=O)CC2CC2)c1	294086096	IGCWIBMTDLTPBD-LLVKDONJSA-N	306.362	1.548	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)C2CC(C)(C)C2)C[C@@H](C)O1	806339806	JJOHVIFNYHLUNR-TXEJJXNPSA-N	311.426	1.069	50	20	DDGD	
CNc1ccccc1C(=O)NNC(=O)Cn1nc(C)cc1C	293751611	MERZXKAWBNLRBI-UHFFFAOYSA-N	301.350	1.003	50	20	DDGD	
C[C@@H](O)C(=O)N1CCN(CCO[Si](C)(C)C(C)(C)C)CC1	808741566	JFBGSCXDUFNHKL-CYBMUJFWSA-N	316.518	1.533	50	20	DDGD	
Cc1ccc(C[C@@H](C)C(=O)NNC(=O)N=c2cc[nH]cc2)cc1	802029997	TYRZVJVMZVTTKT-CYBMUJFWSA-N	312.373	1.843	50	20	DDGD	
C[C@](O)(CCc1ccccc1)C(=O)NNC(=O)c1ccncc1	801101852	PXBAAJOBKCXEPK-KRWDZBQOSA-N	313.357	1.226	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccnn2-c2ccccc2)O1	293840281	GTOVMINLXZHBDH-FZMZJTMJSA-N	314.345	1.201	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cnn(CCF)c1	808342040	ZFNKUMYTJRNLQT-UHFFFAOYSA-N	309.253	1.989	50	20	DDGD	
CSSCCNC(=O)N[C@@H](CCO)C1CCOCC1	807226258	MXEQLVJXGUQNLE-NSHDSACASA-N	308.469	1.474	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CCn3c(cnc3C)C2)nc1	290652586	FLBOIYHLCPDNLZ-NSHDSACASA-N	301.350	1.301	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CS[C@H]1CCS(=O)(=O)C1	808247031	QYAYGAQYYKWRPD-ZETCQYMHSA-N	320.263	1.169	50	20	DDGD	
CC[C@H](C)[C@H](C)NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	299167066	NFTGKAAKOMRVAX-MJVIPROJSA-N	321.377	1.591	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(-c2cc[nH]n2)s1	293926480	HHKXQUDBWHQBSI-VIFPVBQESA-N	306.347	1.078	50	20	DDGD	
CO[C@@H](C)C(=O)NNc1cc([N+](=O)[O-])ccc1Br	800617640	MYQSIXINLQGSHM-LURJTMIESA-N	318.127	1.835	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C(C)(F)F)cc1	292795903	ZXSXIJWHMDKSAE-VIFPVBQESA-N	316.304	1.655	50	20	DDGD	
O=C(NNC(=O)c1csc2cncn12)Nc1ccccc1	801988460	BIUZQFANENSYJD-UHFFFAOYSA-N	301.331	1.862	50	20	DDGD	
O=C(NNc1cccnn1)[C@@H]1CC(c2c(F)cccc2F)=NO1	803099691	ZHWXONCEDDRPOD-NSHDSACASA-N	319.271	1.391	50	20	DDGD	
O=C(NNc1ccccn1)[C@@H]1CCCN(c2ccccc2)C1=O	815969418	SEWHCWKWCBUMFP-AWEZNQCLSA-N	310.357	1.968	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cccc(CO)c2)cc1	813576502	TZHLRURUKHMDHE-UHFFFAOYSA-N	315.329	1.654	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@@H](C)c1ncc(C(=O)OC)s1	818996529	HJCZEUUUOHDUNR-HWPCKVLBSA-N	309.347	1.551	50	20	DDGD	
O=C(NCCc1nc2ccccc2[nH]1)NNc1ncncc1F	814270621	AVJLEGRPCRDFPP-UHFFFAOYSA-N	315.312	1.361	50	20	DDGD	
Cc1cc(O)cc(=O)n1CC(=O)NNc1cccc(Cl)n1	817008120	FPPUTPUSLSCFGJ-UHFFFAOYSA-N	308.725	1.054	50	20	DDGD	
CN(NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)C1CC1	819641381	UQHDHQVCRFWLHB-GFCCVEGCSA-N	321.808	1.814	50	20	DDGD	
CO[C@H](C)[C@@H](C)NC(=O)NNC(=O)Cn1ccc2ccccc21	811875671	CWCFRJUGZJQQGP-VXGBXAGGSA-N	318.377	1.395	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)C1)Nc1ccc(Cl)cc1	815003136	GJTLAXOSAATEOE-UHFFFAOYSA-N	301.755	1.636	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1ncc(Cl)s1	814763136	UGSNZMWTOXUMOF-SECBINFHSA-N	316.814	1.215	50	20	DDGD	
CCc1nn(C)c(OC)c1C=NNC(=O)c1ccccc1F	814700464	VPZJLXGGFRSGPX-UHFFFAOYSA-N	304.325	1.894	50	20	DDGD	
Nc1nc2c(s1)C(=NNC(=O)NCC(F)(F)F)CCC2	814812267	OGEZSIDOSICHQI-UHFFFAOYSA-N	307.301	1.627	50	20	DDGD	
COc1cc(C(=O)NNc2nc[nH]n2)ccc1OC1CCCC1	816632140	VQWNSQJBNLZJBI-UHFFFAOYSA-N	317.349	1.892	50	20	DDGD	
CC(=NNC(=O)Cc1cn2ccccc2n1)c1csnn1	814864001	LYLMKKDMXSXPAT-UHFFFAOYSA-N	300.347	1.269	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)CCCn1cncn1	822728016	LLJQVKDVNFMELD-UHFFFAOYSA-N	321.312	1.127	50	20	DDGD	
O=C(COC1CCCCC1)NNc1cccc(-c2nn[nH]n2)c1	826416860	TYGGMFZSWLDWJN-UHFFFAOYSA-N	316.365	1.659	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCc2ccccc2C1	827316062	YSYMZJQSUZNZNV-SMDDNHRTSA-N	303.362	1.211	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1	825459960	OYSWDIHQGXKTER-ZDUSSCGKSA-N	315.381	1.184	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H]1CCS[C@H]1C	825973297	BGHMOGAUCPCNNF-GXSJLCMTSA-N	309.391	1.533	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1nc2c(s1)CCC2	726872744	SBRNMMVMKMGMKS-UHFFFAOYSA-N	303.347	1.493	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@H]1CCC[C@H]1c1ccccc1	822854656	RDILUIPWLHFNHY-GJZGRUSLSA-N	317.389	1.643	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)N[C@@H]1C[C@H]1C1CCC1	823881177	ZCMICOPXEPIBNF-UONOGXRCSA-N	305.353	1.887	50	20	DDGD	
C[C@@H]1CCC[C@H]1NC(=O)NNC(=O)CNC(=O)OC(C)(C)C	494555942	SJFWGGJEBWCRAH-NXEZZACHSA-N	314.386	1.030	50	20	DDGD	
O=C(C[C@@H]1C=CCC1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	826403898	HKHOEVQERGHITO-MRVPVSSYSA-N	319.756	1.715	50	20	DDGD	
CC(C)(CN1CCOCC1)C(=O)NNc1ccc(F)cc1F	821152988	LLTJYNCAHMGEJB-UHFFFAOYSA-N	313.348	1.766	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccccc1NCc1cccnc1	823917523	JOOFFSMTTRTOEO-CYBMUJFWSA-N	314.389	1.651	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1c[nH]c2nccc(Cl)c12	497075059	WHOVMURITWYGRP-UHFFFAOYSA-N	318.742	1.108	50	20	DDGD	
Cn1cccc1C(=O)NN=c1c(=O)c2cccc3cccc1c32	725845536	CFLILZQWPGMEND-UHFFFAOYSA-N	303.321	1.813	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1nc(-c2cccc(F)c2)no1	491161658	PDXPTPHBUQHUPK-LUAWRHEFSA-N	316.292	1.936	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)c1cccc(OC(F)F)c1	823088079	IELIFXYYXVZEJG-NSHDSACASA-N	316.304	1.864	50	20	DDGD	
CN(C)CC[C@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(C)(C)C	491133152	OMYHTOMSLCRLRR-MZLJFPOFSA-N	317.437	1.810	50	20	DDGD	
Cc1oc(-c2cccs2)nc1C(=O)NNC(=O)CN(C)C	727761431	CNLGUKKOZNNVOS-UHFFFAOYSA-N	308.363	1.034	50	20	DDGD	
O=C(NNC(=O)[C@]1(c2ccccc2)CCCO1)[C@@H]1CCCCO1	820941695	ANVVUYPQYNVWEW-WMLDXEAASA-N	318.373	1.409	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@H](C2CC2)C(C)(C)CO)cn1	491047441	IVBIECXHVKYKDD-CNTYAEFGSA-N	302.378	1.240	50	20	DDGD	
CC(C)[C@@H](CC(F)(F)F)NC(=O)c1cccc(B(O)O)c1	584979493	VOTZGQHEMRFVKP-LLVKDONJSA-N	303.089	1.073	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)c(C)c1	905096145	SBGDXGHNJVJPRD-DDTOSNHZSA-N	317.414	1.846	50	20	DDGD	
C#C[C@@H](C)NC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	820439712	CCJCORHCAJPJIU-DGCLKSJQSA-N	303.362	1.423	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1Cc2ccccc21	826446430	LMHISDSJCJJSSW-AWEZNQCLSA-N	306.329	1.650	50	20	DDGD	
CC(C)COC(=O)[C@H](C)NC(=O)[C@]1(C)C[C@H]1Br	907166604	LEWPXHLTVCOSDS-YGOYTEALSA-N	306.200	1.864	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc(Cl)n1	823474929	MHTRGWNWRPZCGQ-KWQFWETISA-N	311.769	1.483	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)C1(C(=O)C2CC2)CC1	822212451	QHRUKCAVICXHHE-UHFFFAOYSA-N	304.321	1.275	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1	823891483	QZFRCAJUBDZUNA-CMPLNLGQSA-N	317.349	1.723	50	20	DDGD	
CC(C)n1cc([C@H](C)NC(=O)NNC(=O)c2ccc[nH]2)cn1	732893399	NPHVSTKJLWIRLT-JTQLQIEISA-N	304.354	1.497	50	20	DDGD	
O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cc(B(O)O)ccc1F	584926434	OEVMQVFMQCHNSZ-MBNYWOFBSA-N	319.185	1.594	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ncoc2C(C)C)cc1	732053962	MVDBFRFTBXDXPX-UHFFFAOYSA-N	317.345	1.946	50	20	DDGD	
C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NNC(=O)C1CCCC1	496502006	SVHKQJLWKARTHN-JTQLQIEISA-N	313.398	1.485	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)[C@@H]1CC1(F)F	497238697	BACHVRXZGFESBA-QMMMGPOBSA-N	321.324	1.094	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCCC[C@H]2CC(F)(F)F)o1	585043376	KXOOHUJVVHPJQJ-ONGXEEELSA-N	305.105	1.560	50	20	DDGD	
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)N(C)C	493922521	MAEDMCYFPKFIOC-JTQLQIEISA-N	316.402	1.228	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCC[C@H](C)OC)c(F)c1	838186954	WUGSFTVWQRFFDW-VIFPVBQESA-N	313.329	1.663	50	20	DDGD	
CO[C@@]1(C)C[C@H](NCC(=O)NNC(=O)c2ccccc2)C1(C)C	831343708	LQZMHKOUPMSBDI-GUYCJALGSA-N	319.405	1.241	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1cncc(F)c1	737427421	LJIWAPDZONWCIK-NSHDSACASA-N	308.357	1.029	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NCCCCCCN	831267167	JFWMXRRHUPUQAS-UHFFFAOYSA-N	306.410	1.387	50	20	DDGD	
COc1ccc(Cl)cc1C(C)=NNC(=O)C(=O)NC(C)C	730552552	NVGCYHRKCJAUPU-UHFFFAOYSA-N	311.769	1.713	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)[C@H]2CCCCO2)c(C)c1	836363585	QVUXFMSNLRBMMO-CQSZACIVSA-N	321.377	1.403	50	20	DDGD	
O=S(=O)(CCl)N1CCO[C@H](COc2ccccc2)C1	831249401	RAVHXKBLTVTQSU-LBPRGKRZSA-N	305.783	1.292	50	20	DDGD	
CCOCCC1(C(=O)NNC(=O)[C@@H]2CCCCO2)CCCC1	833778904	LDBXOIQTGDSKMV-ZDUSSCGKSA-N	312.410	1.690	50	20	DDGD	
CN(C)CC(=O)NN=Cc1cn(C)nc1-c1ccc(F)cc1	834953525	AUOJQCSTXOCGDX-UHFFFAOYSA-N	303.341	1.238	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCC[C@@H]1CC	830189991	GMQYVEJWKILUNI-RYUDHWBXSA-N	300.399	1.749	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CC[C@H](C(=O)O)C2)c1	831077350	JTWUJBPYINUXJF-GXSJLCMTSA-N	321.333	1.353	50	20	DDGD	
O=C(CCC[C@@H](O)c1ccccc1)NNc1ncc(F)cn1	831351111	MCFRCHUSYVKUCB-CYBMUJFWSA-N	304.325	1.963	50	20	DDGD	
C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)c2ccc(B(O)O)cc2)C1	584988415	MZAYTAUJOYZQAQ-KDOFPFPSSA-N	323.201	1.980	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H]2C[C@]23CCOC3)ccc1F	837036172	LBALYHUENXLHTQ-ABAIWWIYSA-N	308.309	1.482	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCc1cc[nH]n1)c1ccccc1	731281006	MGWGHDUXOQNPEG-UHFFFAOYSA-N	301.350	1.218	50	20	DDGD	
Cc1cc(OCC(=O)N2CC[C@@H](B(O)O)C2)ccc1C(C)C	585075658	UEUGKTWFWZZQDC-CYBMUJFWSA-N	305.183	1.573	50	20	DDGD	
OB(O)c1ccccc1CNC[C@H]1CCCC[C@@H]1C(F)(F)F	585031003	ODMGMRPCSILKOF-YPMHNXCESA-N	315.144	1.825	50	20	DDGD	
CO[C@H](C1CC1)[C@H](C)NC(=O)NNC(=O)c1ccccc1C	836192842	QBQYOEWUWWKBSS-FZMZJTMJSA-N	305.378	1.753	50	20	DDGD	
O=S(=O)(CCl)NCCc1nc(C(F)(F)F)cs1	830745177	MTWGGDWMIGKHMG-UHFFFAOYSA-N	308.734	1.820	50	20	DDGD	
Cc1cc(Cl)c(C(=O)NNC(=O)C(C)(C)O)cc1[N+](=O)[O-]	832754725	QODCTVQGACCHMW-UHFFFAOYSA-N	315.713	1.089	50	20	DDGD	
COC[C@H](C)CNC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836280487	ZPRFFLSIGQEDTK-SECBINFHSA-N	324.337	1.034	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@@H]1CCC[C@H](C(=O)O)C1	833102170	FEACXYPCLPEADQ-KGLIPLIRSA-N	318.373	1.658	50	20	DDGD	
C=COc1ccc(NC(=O)C(=O)NNC(=O)C2CCCC2)cc1	839512885	SJZJLTMYDKRNGH-UHFFFAOYSA-N	317.345	1.485	50	20	DDGD	
CCn1cnnc1CNC(=O)NNc1c(F)cc(F)cc1F	914165447	DVRUMHUOXRUCHS-UHFFFAOYSA-N	314.271	1.542	50	20	DDGD	
C[C@H](N)C[C@@H](C)NC(=O)NNC(=O)c1cccc2cccnc12	831203790	ZSKATLKHMKUDBE-WDEREUQCSA-N	315.377	1.305	50	20	DDGD	
Cc1ccnc(NNC(=O)C2CN(C(=O)C3CCCCC3)C2)c1	839699185	KWVSAHCGQQHWPA-UHFFFAOYSA-N	316.405	1.872	50	20	DDGD	
O=C(NCCOc1ccc([N+](=O)[O-])cc1)NNc1cccnn1	736385669	ADHRYPGAKUQSFJ-UHFFFAOYSA-N	318.293	1.090	50	20	DDGD	
CO[C@](C)(CNC(=O)NNc1ncccn1)c1ccccc1	838664297	HCPOCBAIGQPZNL-OAHLLOKOSA-N	301.350	1.665	50	20	DDGD	
CC(=NNC(=O)Cn1cnc2ccccc21)c1cn(C)nc1C	917536733	VHWCTUZETNXDKV-UHFFFAOYSA-N	310.361	1.619	50	20	DDGD	
O=C(CCCn1cncn1)NNC(=O)c1cccc(Cl)c1	917388081	PNHDJXVTJVQGRS-UHFFFAOYSA-N	307.741	1.173	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@@]2(C)CCCCO2)cc1	839482537	FGMRTSKLBISVAW-MRXNPFEDSA-N	321.377	1.214	50	20	DDGD	
COc1cccc2cc(C(=O)NNC(=O)[C@@H]3CCCCO3)oc12	833256668	QURXAYIYARKBAA-LBPRGKRZSA-N	318.329	1.772	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)[C@H](C)CN1CCCCCC1	749759923	AWXLYUFPCBUQTM-CHWSQXEVSA-N	314.499	1.792	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@H](C)Sc1ccccc1	745901180	AJFZTEGUTISYJQ-NSHDSACASA-N	311.407	1.534	50	20	DDGD	
Cc1ccc2nc(CSCC(=O)NN(C)C[C@@H](C)O)cn2c1	910175393	NROMPQGQRSVPAB-GFCCVEGCSA-N	322.434	1.220	50	20	DDGD	
CCOc1cc(C=NNC(=O)COC)ccc1OC(=O)CC	841629622	YXLILPCNGYMUJO-UHFFFAOYSA-N	308.334	1.497	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1ccc(N(C)C)cc1	748253118	KIHRLPSLZLWVLB-ZDUSSCGKSA-N	307.394	1.644	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(F)c(F)c(F)c1)[C@@H](C)S(C)(=O)=O	841409675	YAKVKCPPIOVSDB-RNFRBKRXSA-N	324.324	1.616	50	20	DDGD	
O=C(NCC1CNC1)NNc1cc(C(F)(F)F)ccc1F	841965273	SSORJECURGQLTN-UHFFFAOYSA-N	306.263	1.690	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)[C@H]1CCCCO1)c1ccccc1F	842151709	YGKFLDGNFSFVHS-OLZOCXBDSA-N	310.325	1.230	50	20	DDGD	
CC[C@](O)(CC(=O)NNC(=O)c1cccn1C)c1ccccc1	840243323	CSGMJJPIXHKVQV-KRWDZBQOSA-N	315.373	1.474	50	20	DDGD	
Cc1ccsc1S(=O)(=O)NNC(=O)NC1CCCC1	741652854	IDTSKBREXPQCBO-UHFFFAOYSA-N	303.409	1.492	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@@H](C#N)CC	845085050	RTTNEWQKPWFPEV-LLVKDONJSA-N	313.361	1.296	50	20	DDGD	
N#C/C(=C/c1cn(CC(=O)O)nn1)c1nc(C2CC2)cs1	843273884	UVEOGVXLPNNRPD-OQFOIZHKSA-N	301.331	1.761	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@@H]2CCO[C@H]2C)c(C)c1OC	842562789	YYYCHYKYDAOTRF-WCQYABFASA-N	306.362	1.887	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCCC(F)(F)C2)c1	844376719	DPGHUMGATSGAMD-UHFFFAOYSA-N	311.332	1.487	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc2c1OCC2(C)C	843652381	AXDPDJMMDGDSLW-GHMZBOCLSA-N	318.373	1.543	50	20	DDGD	
CC(C)Cn1nccc1C=NNC(=O)CNC(=O)OC(C)(C)C	842530977	XLUIYIGWRPCTGX-UHFFFAOYSA-N	323.397	1.514	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNc2ccc(CC(=O)OC)cc2)O1	846374460	QBZMDGPYFAYAQK-UONOGXRCSA-N	306.362	1.803	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cnn(C)c2C(F)(F)F)n1	916988571	JIXYGYVKNWRQHZ-UHFFFAOYSA-N	314.271	1.603	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H](CC(C)C)OC)c(OC)c1	841109048	ITQWVGCNZPEOQF-CQSZACIVSA-N	324.377	1.526	50	20	DDGD	
CCC(=O)NNC(=S)NCc1ccc(Br)cc1	747646403	NEZRFTNJZCPCTO-UHFFFAOYSA-N	316.224	1.854	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2cc(N(C)C)ccn2)n1	924647660	HBJXUPZWFSGJTJ-UHFFFAOYSA-N	315.381	1.381	50	20	DDGD	
Cc1csc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1C#N	847185944	PUEXVTIPFAGADH-BDAKNGLRSA-N	308.363	1.506	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N=c2cc[nH]cc2)cc1	743811577	ZZKJJONYOHVMOO-UHFFFAOYSA-N	301.306	1.370	50	20	DDGD	
Cc1ccc(SCCC(=O)NNC(=O)[C@@H]2CCOC2)cc1	921202971	NERUSVFLCUWUHC-GFCCVEGCSA-N	308.403	1.661	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)nn1C(C)(C)C	843645620	NHDXYWHHJXJXKI-WDEREUQCSA-N	308.382	1.133	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H](CN)C2CCCCC2)n1	841941011	VQWOVNJPVODYGO-CQSZACIVSA-N	319.409	1.242	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)c2cccc(C#N)c2)CCC1	751889709	MUMCNUYSLGZIJD-UHFFFAOYSA-N	315.329	1.053	50	20	DDGD	
CC(C)C1(CNC(=O)NNC(=O)c2cccc(C#N)c2)CC1	753426299	VSMQQUOHYNEBGT-UHFFFAOYSA-N	300.362	1.938	50	20	DDGD	
CON=Cc1ccc(C(=O)NNC(=O)OCC(F)(F)F)cc1	856026854	OPBJBGFYBBEUKE-UHFFFAOYSA-N	319.239	1.600	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)CCCNC(=O)C(C)(C)C)CN1C1CC1	853407185	JEFLVVOQKWYSRR-GFCCVEGCSA-N	322.453	1.658	50	20	DDGD	
CCN1C[C@@H](NC(=O)NNc2ccc(Cl)cc2C)CC1=O	922724488	SSLAZNDXASDYPD-NSHDSACASA-N	310.785	1.895	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2c[nH]c3ccccc23)c(C)nn1	758995317	ATYLSAAWSCTLJW-UHFFFAOYSA-N	323.356	1.904	50	20	DDGD	
CCOCCOCCOC(=O)/C(C#N)=C\c1ccc(O)cc1	922513026	ZGPBRTRYVTZARL-KAMYIIQDSA-N	305.330	1.895	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NC[C@@H]1CCCS1	756957953	MCQWWLXPOPVTFS-LBPRGKRZSA-N	323.418	1.464	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NNC(=O)C(C)(C)C	858523733	ZOBLISWBGJYGKB-JTQLQIEISA-N	315.414	1.825	50	20	DDGD	
C[C@@H]1CCN(C(=O)NC[C@]2(C)C[C@@H]2Br)[C@@H]1CO	856955692	QQFPVYXANYOVCU-SVDPJWKOSA-N	305.216	1.572	50	20	DDGD	
Cn1cc(-c2cncc(C(=O)NCCCSC#N)c2)cn1	854362446	OBZFAOBWPJCBGH-UHFFFAOYSA-N	301.375	1.816	50	20	DDGD	
Cc1nn(C)cc1CC(=O)NC[C@@]1(C)C[C@H]1Br	857385828	MGWICTFGNFYFKK-ZYHUDNBSSA-N	300.200	1.561	50	20	DDGD	
Cc1n[nH]cc1C=NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C	853376792	VAPQATCYRLMNLW-TZMCWYRMSA-N	316.365	1.070	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	856881207	PQQWNCYJPAICHW-MXWKQRLJSA-N	323.784	1.714	50	20	DDGD	
Cc1ccc(NNC(=O)CS(=O)(=O)CC(C)C)cc1F	856230989	KFKOUHXWWHIMPG-UHFFFAOYSA-N	302.371	1.648	50	20	DDGD	
CC[C@H](c1ccncc1)N(C)C(=O)NNC(=O)c1cn[nH]c1	858703907	AVLJCHDRFYOICP-GFCCVEGCSA-N	302.338	1.242	50	20	DDGD	
CCCC[C@H](C(=O)O[C@@H](C)C(=O)NNC(=O)CC)C(C)C	856977997	YRAGIYHLSONCDA-RYUDHWBXSA-N	300.399	1.938	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1cccc(Cl)c1	854196934	REEUICBTZDXFIC-VXGBXAGGSA-N	318.764	1.638	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)Nc1ccon1	757852305	SYVVNIMFBDGRGW-UHFFFAOYSA-N	320.305	1.305	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCCO1)C(=O)NNc1ncccc1[N+](=O)[O-]	759297960	QKNARKMUFOOZAM-MNOVXSKESA-N	324.337	1.407	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)C[C@H]1Br	856718103	KFHMYHVEUZGXPU-VWMGYNLJSA-N	316.195	1.943	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1nn(C)c2c1CCCC2)C1CC1	855095285	KJYRSKRAHHMMRG-SECBINFHSA-N	321.450	1.206	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccc(Cl)c(OC(F)F)c1	757978146	JUGJEFOXKQAKGR-UHFFFAOYSA-N	309.656	1.086	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCc2c(C)noc2C)c1	858158754	ITQKLLLRHOGDCQ-UHFFFAOYSA-N	308.363	1.806	50	20	DDGD	
C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NNc1cnnn1C	857271603	RIQOPBHQPLHNFK-SNVBAGLBSA-N	301.350	1.214	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)Nc2cccnn2)cc1	757661837	SSWJNJAXEXYSEV-UHFFFAOYSA-N	317.374	1.730	50	20	DDGD	
O=C(CCc1ccc(O)cc1)NNC(=S)NCC1CCC1	855089400	PODNQLCQYLHDHV-UHFFFAOYSA-N	307.419	1.620	50	20	DDGD	
CN(C)C(=O)C1CCC(C(=O)NNc2cccc(F)n2)CC1	854443169	POQTVGOBSZNYAU-UHFFFAOYSA-N	308.357	1.558	50	20	DDGD	
C=C[C@@](C)(O)C(=O)NNC(=O)c1ccc(OCCC(C)C)cc1	854199571	SSXIOTAQKMGPBJ-QGZVFWFLSA-N	320.389	1.810	50	20	DDGD	
CCn1cc(CC(=O)NC[C@]2(C)C[C@@H]2Br)cn1	857391398	PLJSHQUGHXJDNZ-JQWIXIFHSA-N	300.200	1.735	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(OC)c(F)c2)nc1	759730504	ITHNLRFPWGDMRX-UHFFFAOYSA-N	319.292	1.773	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2CCN(C3CCCCC3)C2)nn1	852588304	CIJLLKIWHQLGCL-CYBMUJFWSA-N	318.425	1.818	50	20	DDGD	
Cc1cc(C)c(S(=O)(=O)NNC(=O)C(C)C)cc1[N+](=O)[O-]	755005255	OZDSWHAIWTVBMD-UHFFFAOYSA-N	315.351	1.177	50	20	DDGD	
CC(C)=C(C)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1	751199782	JPXBXWZZWCAIPH-UHFFFAOYSA-N	323.418	1.927	50	20	DDGD	
Cc1cc(=NNC(=O)c2ccnc(NC(=O)C(C)C)c2)cc[nH]1	862513537	HTNSTJWWYWZONO-UHFFFAOYSA-N	313.361	1.558	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(-c2cnc[nH]2)cc1	869067647	FBFATIOWPUWTLX-GWCFXTLKSA-N	314.345	1.263	50	20	DDGD	
COc1cc(C)cc(C(=O)NNC(=O)NCc2ccco2)c1O	769732655	LSFVIAQMXPZGSZ-UHFFFAOYSA-N	319.317	1.446	50	20	DDGD	
CC(C)O[C@@]1(CS(=O)(=O)NCC(Cl)Cl)CCOC1	867468597	LFJCPIYDHNVUEB-JTQLQIEISA-N	320.238	1.294	50	20	DDGD	
Cc1c(C(=O)NN[C@@H](C)C(F)(F)F)nnn1CC1CCCC1	862318113	PGZHZOYUFFNNDD-VIFPVBQESA-N	319.331	1.962	50	20	DDGD	
C/C(=C/C(=O)NNCC(F)(F)C(F)(F)F)c1cnccn1	863101941	NUPHWEVVZFARPM-DAXSKMNVSA-N	310.226	1.698	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1cncc2ccccc12	761070410	LXVTYYBMHJRUES-UHFFFAOYSA-N	314.345	1.367	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccccc1OC(C)(C)C	763442125	RMTFQNVFJDNIJA-UHFFFAOYSA-N	307.350	1.360	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cc(F)cnc1O	863942538	SDTNZOPRUGGCQK-UHFFFAOYSA-N	303.162	1.358	50	20	DDGD	
COCC1(O)CCN(C(=O)[C@H](Br)C(C)(C)C)CC1	768321803	OOUBEYMQVFHGTP-JTQLQIEISA-N	322.243	1.796	50	20	DDGD	
Cc1nocc1S(=O)(=O)NC[C@@]1(C)C[C@H]1Br	867549895	UYHKJTBOLCUDGL-RKDXNWHRSA-N	309.185	1.435	50	20	DDGD	
Cc1cccc(NNC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)n1	862525538	RAMFKJOVCZWUDB-VXGBXAGGSA-N	316.361	1.008	50	20	DDGD	
CON=CC(=O)NNC(=S)Nc1ccc(OC(C)C)cc1	874950786	KYSSPKIUCGANCR-UHFFFAOYSA-N	310.379	1.424	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1cccc(Cl)c1	862456759	SOBPPCKXQLUFJO-UPZNUWHASA-N	321.764	1.169	50	20	DDGD	
CC(C)COCCCNC(=O)NNc1nncc(N)c1Cl	1116289239	NMRLGMQTGKOWMT-UHFFFAOYSA-N	316.793	1.401	50	20	DDGD	
Cn1ncc(C(=O)NNc2cc(Cl)nc(N)n2)c1C1CC1	779373390	KIHQGJHTYGTMMZ-UHFFFAOYSA-N	307.745	1.080	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc2oc(N(C)C)nc2c1	878958993	ARKFKWKURJTPIP-UHFFFAOYSA-N	307.354	1.509	50	20	DDGD	
O=C(CCn1ccccc1=O)NNc1ccc(F)c([N+](=O)[O-])c1	771592448	NPNFUXOPKLLBBC-UHFFFAOYSA-N	320.280	1.429	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1	878000318	UYFOALGFTWBXQD-GHMZBOCLSA-N	307.350	1.301	50	20	DDGD	
Cc1ccc(N)c(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)c1	771988897	NSPBYVHPUWOASZ-NSHDSACASA-N	321.377	1.316	50	20	DDGD	
C[C@H](C(=O)NNC(=O)N1CCOCC1)c1ccc(F)c(F)c1	1116127367	XPCPZIMMKGMCMG-VIFPVBQESA-N	313.304	1.141	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@@H]2CC(=O)c3ccccc32)c1Cl	1116740560	FXZDIYGXFJACDI-SECBINFHSA-N	317.736	1.526	50	20	DDGD	
CC(C)(C)OCC(=O)NNC(=O)Cc1c[nH]c2ccccc12	778227251	VKWDKFVWYDCVKY-UHFFFAOYSA-N	303.362	1.673	50	20	DDGD	
CC[C@@H](C)N[C@@H](CNC(=O)NN(C)C(=O)OC)c1ccco1	875575639	ROIFJOVVLBXQPT-MNOVXSKESA-N	312.370	1.621	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)/C=C\c1ccccc1	771892962	ZTQXICIQXRPVEH-XPSMFNQNSA-N	318.373	1.825	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CCCc1cccs1	771930435	UAVKGACFVHJDHK-JTQLQIEISA-N	312.391	1.560	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNc1nncc(N)c1Cl	1116511414	SFYYCADEEHXFSL-UHFFFAOYSA-N	315.761	1.135	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cccc(Cl)c1Cl	779823094	KWDXYWHSMNLGMZ-UHFFFAOYSA-N	304.133	1.800	50	20	DDGD	
CO[C@@H](C(=O)NNc1cncc(Br)c1)C1CC1	1116859166	XFFFBNIFQLZHMU-SNVBAGLBSA-N	300.156	1.712	50	20	DDGD	
COC(=O)c1ccnc(NC(=O)NNc2cccc(C#N)c2)c1	770682807	QTQAEVXDJGJLSP-UHFFFAOYSA-N	311.301	1.888	50	20	DDGD	
Cc1noc(C)c1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	771894942	ZTGFFPOIKLEYJB-JTQLQIEISA-N	311.338	1.030	50	20	DDGD	
COCc1nocc1C(=O)N(C)NC(=O)OCc1ccccc1	1118909520	KVNZJNRGCZIYQU-UHFFFAOYSA-N	319.317	1.734	50	20	DDGD	
COC[C@@H](C)C(C)=NNC(=O)c1cccc(S(C)(=O)=O)c1	777882566	BAEPLDPWPRHWNI-SNVBAGLBSA-N	312.391	1.478	50	20	DDGD	
O=S(=O)(CCCCl)N1CC[C@@](CO)(c2ccccc2)C1	882213430	ZLTWAMAZJGKMDM-CQSZACIVSA-N	317.838	1.581	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1cc(Cl)cc(Cl)c1F	880892894	UJRCXHYYSGYCFJ-UHFFFAOYSA-N	323.155	1.847	50	20	DDGD	
Cc1cc(C)cc(CCNC(=O)NNC(=O)c2cccnn2)c1	883447060	RTJVWKOIXYXHML-UHFFFAOYSA-N	313.361	1.280	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cn2ccc(C)cc2=O)c1	772540501	IJSGJBSKECTKHC-UHFFFAOYSA-N	315.329	1.087	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1CCc2cc(OC)ccc2C1	887153474	XHDSFAFDCBBQFJ-HNNXBMFYSA-N	314.385	1.751	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCS(=O)(=O)CC1	781088259	NNQULCQGAPQAHS-QMMMGPOBSA-N	312.229	1.053	50	20	DDGD	
CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NNc1ccc(C#N)cn1	888355040	JDNRJABEPXJFGU-RTXFEEFZSA-N	301.350	1.393	50	20	DDGD	
O=C(NC[C@H]1CCC=CO1)NNC(=O)c1cccc([N+](=O)[O-])c1	780735311	MHZDMXCRLRYDNI-GFCCVEGCSA-N	320.305	1.232	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1c[nH]nc1-c1c(F)cccc1F	780712098	XCKNTDKYNFWWCA-UHFFFAOYSA-N	323.303	1.661	50	20	DDGD	
N#Cc1cccc(C(=O)NN=Cc2ccc3c(c2)NC(=O)CO3)c1	788713658	FJXSTFUDKRNLAC-UHFFFAOYSA-N	320.308	1.653	50	20	DDGD	
Cc1ccc(CC(=O)NNc2ccc(-n3ccnc3)nn2)cc1	788180565	AENBGBUKGMZZQQ-UHFFFAOYSA-N	308.345	1.657	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCN2C(C)(C)C)c1F	897927375	KXVVBSXEHAGENB-GFCCVEGCSA-N	323.368	1.928	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2cc(F)c(F)c(F)c2)C(=O)O1	896355156	VVFCFYLQUNBJFL-ANLVUFKYSA-N	303.240	1.434	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1F	788504212	MXGFVOVGDZHSKX-SSDOTTSWSA-N	315.326	1.772	50	20	DDGD	
Cc1cc(CC(=O)Nc2cccc(NC(=O)NN(C)C)c2)no1	791273322	RJYMAXHUJKMTBA-UHFFFAOYSA-N	317.349	1.762	50	20	DDGD	
Cn1c(C(=O)NNc2nc3ccccn3n2)cc2ccccc21	791257220	AJFYNQUCUIDINY-UHFFFAOYSA-N	306.329	1.978	50	20	DDGD	
CCOC[C@H](NCC(=O)NNC(=O)c1ccc(C)cc1)C(C)C	794600022	JTBFMFUIDFEVKO-HNNXBMFYSA-N	321.421	1.407	50	20	DDGD	
NC(=O)C(=O)NN=C1CCCc2[nH]c3ccc(Cl)cc3c21	790281029	ANSUXBMQVGCBEM-UHFFFAOYSA-N	304.737	1.463	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)SCC(=O)Nc1ccccc1	799897673	NXLNSFREUDQUBP-SNVBAGLBSA-N	309.391	1.304	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCC(F)(F)F)c1cccnc1	798315693	ZVIXWTHQTQAXQO-UHFFFAOYSA-N	304.272	1.252	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1ncccc1Cl	794400511	WKGWUVWDVBZUSX-UHFFFAOYSA-N	307.766	1.761	50	20	DDGD	
O=C(CC1OCCO1)NNc1ccc(OCC(F)(F)F)cc1	793710828	QVYBZYGYCKSUBT-UHFFFAOYSA-N	320.267	1.834	50	20	DDGD	
C[C@@H]1CCC[C@H]1CNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	798511363	MINCZKDLWRDBGS-PWSUYJOCSA-N	320.349	1.975	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)NNc1cnccn1	793850546	GQVCGZQYVDCSMC-LLVKDONJSA-N	321.381	1.565	50	20	DDGD	
O=C(CCOCC(F)(F)C(F)(F)F)NNC(=O)C1CC1	790112338	WHBZZAVPQCYMDH-UHFFFAOYSA-N	304.215	1.148	50	20	DDGD	
COCCN([C@H]1CC[C@H](C)C1)S(=O)(=O)CBr	790937285	WUIGIBLKJXEAKL-UWVGGRQHSA-N	314.245	1.806	50	20	DDGD	
Cc1onc(CC(=O)NNc2cccc(F)c2[N+](=O)[O-])c1C#N	791148161	RGDPJTDOSLWMEE-UHFFFAOYSA-N	319.252	1.588	50	20	DDGD	
COC(=O)[C@@H](C)n1cccc1C=NNC(=O)c1cccc(C)n1	794568771	UBDCVVVXMTWFPA-GFCCVEGCSA-N	314.345	1.689	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)n1	792932327	OVVRQRSKVNSRIT-AZSZRZGFSA-N	310.401	1.931	50	20	DDGD	
Cc1nn(-c2ccccc2)c(N)c1C=NNC(=O)c1ccncc1	794857327	XXOPANQRORTCMY-UHFFFAOYSA-N	320.356	1.922	50	20	DDGD	
Nc1cnnc(NNC(=O)Cc2c(F)cccc2F)c1Cl	1319399461	BOTHCZNFQXVUQU-UHFFFAOYSA-N	313.695	1.676	50	20	DDGD	
O=C(NNc1c(F)cccc1F)C1(O)Cc2ccccc2C1	1319597834	WEPSRWMMBGTZKJ-UHFFFAOYSA-N	304.296	1.938	50	20	DDGD	
CCCc1n[nH]cc1C(=O)NNc1ccccc1C(=O)OC	1320391453	WUHPWDRDOFXSJT-UHFFFAOYSA-N	302.334	1.906	50	20	DDGD	
CCOC(=O)C[C@@H]1CCCN1CCI	1321117043	CNOPZJVPHLWHHK-VIFPVBQESA-N	311.163	1.839	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H]2CCCC[C@H]2N(C)C)n1	1256324377	LERDKEBZXZQZCD-GXTWGEPZSA-N	319.409	1.207	50	20	DDGD	
Cc1ccccc1OCCC(=O)NNC(=O)[C@@H]1CCCCO1	1261272859	XNXURXZWGBWWJI-AWEZNQCLSA-N	306.362	1.480	50	20	DDGD	
C[C@@H]1CCCN1CCNC(=O)NNC(=O)c1ccccc1Cl	1262376742	AWXZACWXWZOBGK-LLVKDONJSA-N	324.812	1.768	50	20	DDGD	
CC[C@H](C)C[C@H](N)C(=O)NNc1ncc(Br)cn1	1263152533	LRXTXOGQEOKKJS-CBAPKCEASA-N	316.203	1.446	50	20	DDGD	
Cc1nc([C@@H](C)NC(=O)NNC(=O)c2ccc(Cl)cc2)no1	1346695162	HWTNTHTYWRPHDB-SSDOTTSWSA-N	323.740	1.737	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NOC2CCOCC2)nn1	1342891277	BGHDVTWWIXSTDI-UHFFFAOYSA-N	309.370	1.511	50	20	DDGD	
O=C(CCOCC(F)F)NNC(=O)c1ccccc1Cl	1343528910	DTIXSINHHJKXJJ-UHFFFAOYSA-N	306.696	1.773	50	20	DDGD	
CC[C@@]1(C(=O)NNC(=O)c2ccccc2Cl)CCNC1=O	1351735923	DKPSMTLODACIDF-CQSZACIVSA-N	309.753	1.017	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)C2(O)Cc3ccccc3C2)c1	1608935661	CMOVFNCIUNZJAM-UHFFFAOYSA-N	312.325	1.358	50	20	DDGD	
C[C@@]1(C(=O)NNc2ccc(-c3nn[nH]n3)c(Cl)c2)CCCO1	1603748030	FANPGGXGWBPONB-ZDUSSCGKSA-N	322.756	1.532	50	20	DDGD	
Cc1cc(COCC(=O)NNc2ccc(CC(=O)O)cc2)no1	1600215191	NUSCHGMMUIMPCX-UHFFFAOYSA-N	319.317	1.270	50	20	DDGD	
CC1(C)OC[C@@H]2C[C@]21C(=O)NNc1cccc(F)c1C(=O)O	1604561027	XWYQIBCJJXLEOS-VXJOIVPMSA-N	308.309	1.782	50	20	DDGD	
CCOc1cc(C(=O)NN(C)C2CC2)ccc1OCC(=O)O	1605659375	YMFZKABGBPTJIZ-UHFFFAOYSA-N	308.334	1.288	50	20	DDGD	
Cn1cc(CCC(=O)NNc2ccc(CC(=O)O)cc2)cn1	1600949022	UQFXJEYJPNRTNZ-UHFFFAOYSA-N	302.334	1.123	50	20	DDGD	
CC1(/C=C/C(=O)NNc2ccc(C(=O)O)cn2)CCOCC1	1609822174	QWYSQHAMWUBBJY-SNAWJCMRSA-N	305.334	1.596	50	20	DDGD	
Cc1ccc(NNC(=O)c2c(Cl)cnn2C)cc1C(=O)O	1607809925	JPOUBORKVOVFHZ-UHFFFAOYSA-N	308.725	1.837	50	20	DDGD	
O=C(O)c1cccc(C(=O)N2C[C@H]3[C@H](Br)[C@H]3C2)n1	1608928892	YOOXZRIRGBXRST-MTBHXBHISA-N	311.135	1.245	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H](C(=O)O)C(C)C)c1	1605157796	LHPICSWETDCFNA-CQSZACIVSA-N	322.361	1.186	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCC(=O)Nc1ccccc1C(=O)O	1610618267	DXZUSIGHTBOXBH-YRNVUSSQSA-N	314.297	1.726	50	20	DDGD	
CC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)O)C2	1800074111	KSOVKAQENWUIAL-ZIQFBCGOSA-N	302.802	1.023	50	20	DDGD	
C/C=C/C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](Cl)COC)C2	1801606810	ADIIFWRGHFDMLY-YPQLIASRSA-N	314.813	1.455	50	20	DDGD	
Cc1c(C(=O)NNc2cc(C#N)cc(Cl)n2)cc(CN)n1C	1579526153	CTTGXPBWCPTFMP-UHFFFAOYSA-N	318.768	1.469	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@]1(C)CCNC1	1578265941	RNVXSYXLSZGLQS-MRXNPFEDSA-N	320.462	1.875	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@](C)(CN)CC(C)C	1579297041	PUIOBGASMVSAHG-INIZCTEOSA-N	307.394	1.467	50	20	DDGD	
N#CC1=CCN(C(=O)c2cnc(O)c(Br)c2)CC1	1649747199	PGBIAWIYCFFVGC-UHFFFAOYSA-N	308.135	1.846	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)CC2(CN)CC2)cc1C	1578061150	QITBHIGPCZGRCB-UHFFFAOYSA-N	305.378	1.744	50	20	DDGD	
O=C(NNc1nccnc1Cl)[C@@H]1NCC[C@@H]2CCCC[C@@H]21	1580743270	XDSFJWYJIJONQJ-GARJFASQSA-N	309.801	1.741	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])[C@@H]1NCC[C@H]2CCCC[C@@H]21	1580742676	BXYDNIIMYJEAPV-NTZNESFSSA-N	319.365	1.601	50	20	DDGD	
O=C(c1cocn1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843362905	KGFMPGCHLLOPPV-SECBINFHSA-N	301.705	1.026	50	20	DDGD	
NCCCCCC(=O)NNc1ncccc1Br	1580292730	NCBULORRYBPREU-UHFFFAOYSA-N	301.188	1.806	50	20	DDGD	
CC(=O)NNC(=O)Nc1cc(C(=O)O)ccc1Br	1588514640	QHVPPUDUVKKVFY-UHFFFAOYSA-N	316.111	1.320	50	20	DDGD	
Cc1csc([C@H](C)C(=O)NNc2ncccc2C(=O)O)n1	1594435697	JQTISMKTGNKRCA-MRVPVSSYSA-N	306.347	1.792	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cc(C)c(C(=O)O)cn1	1599738911	OSZKISYIGQSGAX-UHFFFAOYSA-N	318.293	1.035	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C[C@@H](C)CC(=O)O)c1ccccc1	1594735745	FZGFBBDCXIHOKA-YPMHNXCESA-N	306.362	1.829	50	20	DDGD	
Cc1nc(C)c(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)s1	1592355488	CPWSFNISTCMPRI-UHFFFAOYSA-N	316.350	1.092	50	20	DDGD	
Cc1cc(C=NNC(=O)NC2CCCC2)ccc1-c1nn[nH]n1	1591958390	BMXCQMQIPUHTIH-UHFFFAOYSA-N	313.365	1.751	50	20	DDGD	
CCc1cc(NC(=O)NNc2ccc(CC(=O)O)cc2)n(C)n1	1597483193	HGEPPWAKXOGHOA-UHFFFAOYSA-N	317.349	1.758	50	20	DDGD	
CCN(CC(=O)NNc1ccc(C(=O)O)cc1OC)C1CC1	1596206520	FRMXMMVNSOYEMC-UHFFFAOYSA-N	307.350	1.321	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCC1=NNC(=O)c1ccc(C(=O)O)cc1	1776099448	HWZMYOMNSNOCLA-LBPRGKRZSA-N	324.358	1.068	50	20	DDGD	
O=C(O)c1cc(F)c(C=NNC(=O)c2nccs2)c(F)c1	1776109778	YUKLEJVABGJRDE-UHFFFAOYSA-N	311.269	1.883	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)c1	150846638	RHKAQMHLQZCKEP-JTQLQIEISA-N	317.324	1.353	50	20	DDGD	
CC(=O)NNC(=O)Nc1cc(F)ccc1OCC(F)(F)F	161658494	WMCUUJHEYGUJLB-UHFFFAOYSA-N	309.219	1.939	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1	162235413	NWKHEXAZGAHNFZ-VIFPVBQESA-N	306.149	1.329	50	20	DDGD	
COC(=O)NNC(=O)CSc1cccc(Br)c1	158859360	CAGUBYOMGQIMAG-UHFFFAOYSA-N	319.180	1.928	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N2CC[C@@]3(CCOC3)C2)cc1	158945595	PWOAFOPPIDQQSY-MRXNPFEDSA-N	314.345	1.025	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H]1C[C@@H]1c1sccc1C	163047388	OETSXVFQPYKYPD-QWRGUYRKSA-N	311.407	1.527	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)N(C)C)nn1-c1ccccc1	151384770	NTCMLNMLBLFESO-UHFFFAOYSA-N	315.377	1.912	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)CC(=O)NNc1ncnc2nc[nH]c12	151875580	PZOPMAFXLVVMFJ-ZETCQYMHSA-N	315.337	1.595	50	20	DDGD	
CCCCn1ncc(C(=O)NNc2nccc(OC)n2)c1C	155121744	AIOBHTOREOHDFE-UHFFFAOYSA-N	304.354	1.547	50	20	DDGD	
C[C@@H]1CCC[C@@H]1NC(=O)NNc1ccc(-n2cccn2)nn1	105311696	ARJRAJOAIPNOMY-MNOVXSKESA-N	301.354	1.477	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@@H]1COc2ccccc21	113041914	ZBZOBSPWVLRWFG-OAHLLOKOSA-N	310.353	1.943	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@H](C)C[C@H](C)O	175136803	XFJKZZNSJMHZOC-ZJUUUORDSA-N	301.818	1.876	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)c2cccc(C#N)c2)s1	103403307	GXKLBBQGNKNXMA-UHFFFAOYSA-N	300.343	1.706	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCc1cc2ccccc2[nH]1	103518566	PXFGITOAJNFXBF-UHFFFAOYSA-N	323.356	1.636	50	20	DDGD	
O=C(COCCc1ccccc1)NNC(=O)NCc1ccco1	58867348	JJZUKDOIRSWAFF-UHFFFAOYSA-N	317.345	1.369	50	20	DDGD	
COc1ccccc1CCC(=O)NNC(=O)NCC(F)(F)F	60414849	DZDQAIIWOMOCJF-UHFFFAOYSA-N	319.283	1.521	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@H]2CCCOC2)o1	171034848	PFHADYNVHPQKJQ-LBPRGKRZSA-N	323.393	1.309	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)C1C[C@@H]2CCC[C@H](C1)C2=O	118504412	VUEOXNCMFHKGKL-ULKQDVFKSA-N	308.769	1.969	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2nc3c(s2)COCC3)n1	179864012	KUVAAGKWLOVYSJ-UHFFFAOYSA-N	320.378	1.771	50	20	DDGD	
CSC[C@@H](C)C(=O)NNC(=O)COc1ccccc1F	66816560	LVSVQWMJEZUELR-SECBINFHSA-N	300.355	1.351	50	20	DDGD	
Cc1cc(NNC(=O)c2csc(-c3cnccn3)n2)ncn1	172277316	RFEMVTGSKUBTMV-UHFFFAOYSA-N	313.346	1.455	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)c2ccc(Cl)nc2)nn1C	174102916	UWJNTOWSWVGPBJ-UHFFFAOYSA-N	321.768	1.667	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCc2ccccc2Cl)cn1	117679647	MPEGEJXVKNROLV-UHFFFAOYSA-N	306.753	1.467	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NNc2cc(C)ncn2)C1	172283941	FNIAHUVGZKAYDH-AAEUAGOBSA-N	319.409	1.513	50	20	DDGD	
O=C(NNC(=O)N1CCCc2ccccc2CC1)c1cn[nH]c1	1351352316	KBPNBEMLXPPUQT-UHFFFAOYSA-N	313.361	1.255	50	20	DDGD	
Cc1nc(CC(=O)NNC(=O)Cc2ccncc2)c(C)s1	124307180	GPPFDFSVBFBRTA-UHFFFAOYSA-N	304.375	1.088	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	72783643	SZEXOOXDJXRTQT-JLLWLGSASA-N	309.391	1.189	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1	71094871	FHPMDMXJCVZKOH-YUELXQCFSA-N	318.373	1.397	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1ccc(F)c(F)c1F	182737876	SVMXXIBKSZYWBU-UHFFFAOYSA-N	324.262	1.894	50	20	DDGD	
COc1cccc(NNC(=O)Cc2cccc(OCC#N)c2)n1	180711337	JWCMHHLDIAXOBZ-UHFFFAOYSA-N	312.329	1.678	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=O)COc1ccccc1OCC	184908073	VGEIHQLTVWXZFS-UHFFFAOYSA-N	318.373	1.661	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C(C)(Cl)Cl	183438558	BGMLOPHEJOYJMV-UHFFFAOYSA-N	321.160	1.415	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CC2CCCC2)cc1F	125917712	NZMDNGIJKIFSMD-UHFFFAOYSA-N	321.352	1.800	50	20	DDGD	
O=C(Cc1cncs1)NNC(=O)NCCc1cccs1	187416407	IIABRSMYIFUFAW-UHFFFAOYSA-N	310.404	1.320	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)COCC(F)(F)F)cc1	121496265	MYYRVBGETMIZBN-UHFFFAOYSA-N	304.268	1.589	50	20	DDGD	
CN(C)CC(=O)NNC(=O)CSCc1cccc(Cl)c1	75653241	PMTDIEDPRULABM-UHFFFAOYSA-N	315.826	1.282	50	20	DDGD	
CO[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)Cc1ccc(F)cc1	75100499	UFBCUFYPFOVUFW-ZIAGYGMSSA-N	323.368	1.656	50	20	DDGD	
CN(NC(=O)c1cc2cc(C(F)(F)F)ccc2n1C)C(N)=O	181065832	UBYMFMHGYCFIAU-UHFFFAOYSA-N	314.267	1.852	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2C[C@](C)(OC)C2(C)C)n1	181371974	OMPNGODAEIUDLJ-BMIGLBTASA-N	308.382	1.920	50	20	DDGD	
C[C@](O)(Cc1ccccc1)C(=O)NNC(=O)NC1CCCC1	73106836	QMLCBCAZZSNFQN-INIZCTEOSA-N	305.378	1.253	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(OC)c(OC(F)F)c1	48069838	JOQOTQMRAQHKBW-UHFFFAOYSA-N	304.249	1.688	50	20	DDGD	
CC1(C(=O)NNc2nc(Br)cn3ccnc23)CC1	133785499	KVSPOBUVBOURBB-UHFFFAOYSA-N	310.155	1.735	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)Cc3ccoc3)[nH]n2)cc1	130811810	PHCIALPCRFPWHQ-UHFFFAOYSA-N	324.340	1.982	50	20	DDGD	
O=C(Cc1ccc(F)cc1F)NNc1ncnc2[nH]cnc12	88381861	TUDDAFKDLVSEHM-UHFFFAOYSA-N	304.260	1.317	50	20	DDGD	
O=C(NNC(=O)c1ncccc1Br)c1cccnc1	194976196	KVXHMSOHOIOAHO-UHFFFAOYSA-N	321.134	1.314	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C2(C#N)CCC2)c1	134484616	QUKJELDLUSPYMS-UHFFFAOYSA-N	301.346	1.524	50	20	DDGD	
CC(=O)CCC(=O)NNC(=O)c1cc(-c2ccccc2)on1	194503702	MPCVMHGLYBTURD-UHFFFAOYSA-N	301.302	1.472	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2cc(C)nc(C)n2)c(C)c1	130402699	ADNICGINZGRSCU-UHFFFAOYSA-N	313.361	1.792	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccc(F)cc2C1)c1ccc[nH]1	90090739	BKTYUAZXPKBCNU-SNVBAGLBSA-N	303.293	1.166	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)c2ccc(F)cc2)c(=O)n(C)c1=O	255069635	BQLQYDCCNMYGMA-XFFZJAGNSA-N	313.288	1.013	50	20	DDGD	
CCOc1ccc(C=NNC(=O)C(=O)Nc2ccccn2)cc1	252625028	QBKBPLDSBWWTPL-UHFFFAOYSA-N	312.329	1.569	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cn(C)nc1-c1ccncc1	255464424	WFSNOYGGUAARNH-LCYFTJDESA-N	311.345	1.152	50	20	DDGD	
CCc1n[nH]c(=O)c(C(=O)NNC(=O)OC(C)(C)C)c1CC	268176310	UYDVGMHEZAVKIC-UHFFFAOYSA-N	310.354	1.064	50	20	DDGD	
CCOC(=O)N[C@H](CNC(=O)NNc1cccnn1)CC(C)C	265534649	DDQZCPRAFRALFF-NSHDSACASA-N	324.385	1.264	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@@H]1COc2c(Cl)cccc21	365946064	LBJFYYLYNANALZ-LLVKDONJSA-N	320.736	1.746	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(NC(=O)CN(C)C)cc1	269507303	ZRWQBJIOZQXHGI-VAWYXSNFSA-N	316.361	1.569	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CCC(=O)N1Cc1ccc(C)cc1	367666610	VDMJZFOTSNWELF-ZDUSSCGKSA-N	319.361	1.215	50	20	DDGD	
O=C(NNC(=O)C(F)(F)c1c(F)cccc1F)NC1CC1	270280636	XYDJXOLUGNRSAK-UHFFFAOYSA-N	305.231	1.549	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccc(N(C)CCOC)nc1	276758403	ZJEFFFVLISWHMK-UVTDQMKNSA-N	319.361	1.261	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1nnc(CC(F)(F)F)s1	273410947	HVRGXNATKGCHOZ-UHFFFAOYSA-N	323.300	1.596	50	20	DDGD	
CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)N2CC=C(C#N)CC2)C1	272701040	WEBBDNZBKHJWRM-ZFWWWQNUSA-N	319.405	1.332	50	20	DDGD	
COC(=O)NNC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1	368737049	FEDZARNTMDUPHX-NSHDSACASA-N	323.324	1.065	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)C2CCC2)cc1C(=O)N(C)C	272770124	BYAJZIOMJYGKQO-UHFFFAOYSA-N	318.377	1.650	50	20	DDGD	
C[C@H]1c2nncn2CCN1C(=O)[C@H](Br)C(C)(C)C	276897425	NIZIYIQJCFCMKF-IUCAKERBSA-N	315.215	1.991	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NNc1ccc([N+](=O)[O-])cc1	273133008	VJZAKENHZFTVSL-NSHDSACASA-N	308.338	1.006	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCOC3(CCCC3)C2)n1	279725973	VHEGRDFZAGMGGQ-UHFFFAOYSA-N	318.377	1.389	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H]2CCO[C@@H](C)C2)c1	272056605	JNGRCZDGARBKGY-QWHCGFSZSA-N	306.362	1.336	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@]1(F)CCN(C(=O)OC(C)(C)C)C1	361354740	UWFDELFKYZCYND-CYBMUJFWSA-N	319.333	1.113	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1cnc2ccccc2n1	274200980	NEOGTRMDNZBFAL-UHFFFAOYSA-N	303.322	1.209	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCCN2CCCCC2)n1	279571333	GCAPKXCVKZIQPZ-UHFFFAOYSA-N	319.409	1.210	50	20	DDGD	
COC1(CC(=O)NNC(=O)CNc2ccc(C)cc2C)CCC1	276840513	SQMSIAWALHSTOW-UHFFFAOYSA-N	319.405	1.822	50	20	DDGD	
CCOC(C)(C)CNC(=O)NNC(=O)COCc1ccccc1	275785698	NPWBMNDIVFMLQY-UHFFFAOYSA-N	323.393	1.349	50	20	DDGD	
COC1(CC(=O)NNC(=O)Cn2cnc3ccccc32)CCC1	276709977	QOXRGNFOTYIKHN-UHFFFAOYSA-N	316.361	1.143	50	20	DDGD	
CCCCOc1cc(OC)ccc1C(=O)NNC(=O)N(C)C	274475957	YQVMLCREVIICTR-UHFFFAOYSA-N	309.366	1.790	50	20	DDGD	
CC(C)(C)[C@H]1OCC[C@@H]1C(=O)NNC(=O)/C=C/c1c[nH]cn1	283171559	PIJJDKJARFRGDS-JQBPPHQNSA-N	306.366	1.022	50	20	DDGD	
COCCn1cc(C(=O)NNc2cccc(C)c2)c(=O)cc1C	286989932	DTQNPOZAHDYVBF-UHFFFAOYSA-N	315.373	1.868	50	20	DDGD	
O=C(NNc1ncccc1F)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2	377099057	DGMCRLOTSRKYDT-CHISNJGVSA-N	305.353	1.995	50	20	DDGD	
Cc1coc(C)c1C(=O)NNC(=O)CCc1ccccc1O	287580330	MAXGJXDLFDURCZ-UHFFFAOYSA-N	302.330	1.996	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2COc3ccccc32)nc1	372267547	RWOJSJBUNTYDQW-LBPRGKRZSA-N	313.313	1.488	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)CNc2ccc(C)cc2)C1	287042181	JKYOLOLJKXXLFR-UHFFFAOYSA-N	305.378	1.369	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)[C@H]2CCCCO2)cc(OC)c1	297586848	YBQZFCHYJUXBCC-CYBMUJFWSA-N	323.349	1.426	50	20	DDGD	
CC(C)NC(=O)Nc1cccc(C(=O)NNC(=O)CC2CC2)c1	294062445	GPOCFMWRIZOLPT-UHFFFAOYSA-N	318.377	1.778	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)CCN(CC)CC)[C@@H]1SC	807955882	IDHRJTHAQBMNEF-OCCSQVGLSA-N	301.456	1.731	50	20	DDGD	
CCCc1noc2nc(CC)cc(C(=O)NN(C)C(N)=O)c12	800527872	CZZLVUDFVNMRID-UHFFFAOYSA-N	305.338	1.393	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)Nc2nc(C)no2)cc1	296801636	LLXKLUKBTAYVOV-UHFFFAOYSA-N	319.321	1.172	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1c(F)ccc(F)c1F	295258031	AXCKJUXYPFOPNT-SECBINFHSA-N	302.252	1.434	50	20	DDGD	
O=C(CC1CCCCC1)NCC(=O)NNC(=O)c1ccccc1	299562543	YMLZGOSVCHYAAD-UHFFFAOYSA-N	317.389	1.534	50	20	DDGD	
Cc1ccc(CNC(=O)NNc2ccc(-n3ccnc3)nn2)cn1	804921774	FXSZMHJNLMDMBU-UHFFFAOYSA-N	324.348	1.192	50	20	DDGD	
COCCOCc1ccc(C(=O)NNc2ncccn2)cc1	292806083	YUVWXVSKDKNZKW-UHFFFAOYSA-N	302.334	1.397	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CCCCO2)cn2ccnc12	297015272	QBRVPLMFHOCWAB-LBPRGKRZSA-N	317.349	1.365	50	20	DDGD	
Cc1cc(N(C)C)ccc1NC(=O)NNC(=O)[C@H]1CCCCO1	296472609	WSXVKSLIJZLCTL-CQSZACIVSA-N	320.393	1.783	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@H](C3CC3)C2)c1	808778517	ZEAWEVTXHHDTSU-INIZCTEOSA-N	315.417	1.878	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNc1ccc(OC(F)F)cc1	807121214	RWJKSRBYZHVONS-UHFFFAOYSA-N	309.272	1.953	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1nccc2ccccc12	802035733	KIHKGCIBZRWOAQ-UHFFFAOYSA-N	307.313	1.518	50	20	DDGD	
C/C=C(\C=C\C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)CC	291809513	AQPWQUJCBFIZSX-SRBZYKAQSA-N	300.424	1.391	50	20	DDGD	
O=C1C[C@@H](C(=O)NNC(=O)Nc2ccc(Cl)cc2)CCN1	802022375	MHIRXBQNLZHMNZ-QMMMGPOBSA-N	310.741	1.019	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802098311	LRUYLNQLEXWDKF-UHFFFAOYSA-N	317.305	1.098	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cc2c(nc1O)CCCC2=O	299014912	LIPMMMRVBPILDG-UHFFFAOYSA-N	305.334	1.113	50	20	DDGD	
CCc1nc(C(C)C)ccc1C(=O)NNC(=O)c1cc(C)n[nH]1	293789630	AEHIDDDAXSPDTD-UHFFFAOYSA-N	315.377	1.874	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)[C@@H](F)CC2CCCCC2)CC1	807383135	LNPAIESGTPUFAO-ZDUSSCGKSA-N	314.405	1.283	50	20	DDGD	
CCOC1CC(=NNC(=O)C2CCN(c3ncccn3)CC2)C1	814837529	ZWXSJMMLNRTPIO-UHFFFAOYSA-N	317.393	1.364	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCCCc3ccc(N)cc32)CC1	817327320	FPRVRRVSJNISRV-UHFFFAOYSA-N	315.421	1.656	50	20	DDGD	
COc1cccc(NNC(=O)NC2CCC(N(C)C)CC2)n1	817177412	GCJXMKCYSCKBMW-UHFFFAOYSA-N	307.398	1.589	50	20	DDGD	
O=C(NNc1cc(Cl)nc(Cl)c1)C1(O)CCOCC1	819747359	OJGQCAFYRIVBSF-UHFFFAOYSA-N	306.149	1.373	50	20	DDGD	
Cc1cc(C#N)cnc1C(=O)NNC(=O)c1cccc(Cl)c1	814723437	FLYXNQZIEWWEHJ-UHFFFAOYSA-N	314.732	1.990	50	20	DDGD	
C[C@]1(C(=O)OCC(=O)NNC(=O)c2cccs2)CC1(F)F	817249270	RJOHWPWIGGYAEI-LLVKDONJSA-N	318.301	1.098	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)CC2CC2)nnn1-c1ccccc1	819140920	QYTLBBABPUJCGZ-UHFFFAOYSA-N	313.361	1.066	50	20	DDGD	
Cc1cccc(NNC(=O)c2c(Br)nnn2C)c1	810043765	FBDCSXGJFXFZHB-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
Nc1ccc(C(=O)NN=C2CCCc3nc(N)sc32)cc1	814690344	FHONFLMUULMKCM-UHFFFAOYSA-N	301.375	1.778	50	20	DDGD	
Cc1nc(O)nc(O)c1CCC(=O)NNc1cccc(Cl)n1	817009733	XMBQBSRDQIGTFD-UHFFFAOYSA-N	323.740	1.321	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN[C@H](c1ccccc1)C(F)F	814650332	IFMGGHPRDAEODD-GFCCVEGCSA-N	313.348	1.776	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@H]1C[C@H]2CC[C@H]1NC2	817919675	TYTWSOSPKLCNCQ-KXUCPTDWSA-N	303.391	1.523	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1cc(Cc2ccccc2)ccc1O	816632087	SMCOWFHTZAZVCG-UHFFFAOYSA-N	309.329	1.858	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2cccc3cccnc23)n[nH]1	811471718	IWRURRLOFUVREI-UHFFFAOYSA-N	309.329	1.270	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2CC[C@H](C(=O)O)[C@@H](C)C2)n1	814753342	UJZHOGWYXRWUPS-ZANVPECISA-N	306.366	1.493	50	20	DDGD	
CC(=O)CCc1ccc(O[C@@H](C)C(=O)NN(C)[C@H](C)CO)cc1	823965700	SPFXUKCKEHXALF-OCCSQVGLSA-N	322.405	1.319	50	20	DDGD	
C[C@@H](Cc1ccsc1)NC(=O)NNC(=O)Cc1cccnc1	728949496	VHXDFLQEGOJQQN-NSHDSACASA-N	318.402	1.647	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)CCCF)cc1F	822652503	HWVVEFDMUMQQOG-UHFFFAOYSA-N	303.334	1.902	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)C(C)(C)C)cc1[N+](=O)[O-]	727674310	QKMRXSDCCHWQKT-UHFFFAOYSA-N	309.322	1.339	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)Nc2ccc(N(C)C)cc2)CO1	827612454	LYDRBCAECWWTMU-CMPLNLGQSA-N	321.381	1.266	50	20	DDGD	
CN1C(=O)CS/C1=C\C(=O)NNc1nccnc1C1CCC1	822927867	SXOCKCZPTZTENO-GHXNOFRVSA-N	319.390	1.234	50	20	DDGD	
CCN1CCCC[C@H]1CNC(=O)/C(C#N)=C/c1cnn(C)c1	490976996	SCKMEHZRNDFJCR-NHXNDTTKSA-N	301.394	1.318	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccnc(C2CC2)n1	826447628	OLTCDNPPSJIGRR-UHFFFAOYSA-N	322.332	1.291	50	20	DDGD	
Cc1cc(Br)ccc1C(=O)NN(C)[C@@H](C)CO	823970389	GKNRDURSQGHIAW-VIFPVBQESA-N	301.184	1.715	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CC2(CCC2)c2ccccc21	584980848	MSXCIAVASUJVST-UHFFFAOYSA-N	307.158	1.449	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCn2ccnc2)cc(C#N)n1C	490611736	UMAWUECKRRGYLT-VGOFMYFVSA-N	308.345	1.125	50	20	DDGD	
C/C=C(/C=C\C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1)CC	493795299	USCFMVGFQWIONG-QAWIYVKRSA-N	315.373	1.993	50	20	DDGD	
COc1cc(C=NNC(=O)c2cccn2C)cc(OC)c1OC	725845640	CUCGQVSQFDDCBG-UHFFFAOYSA-N	317.345	1.815	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NN=Cc1ccccc1C#N	495276563	OAMRVQQQJMQYEC-UHFFFAOYSA-N	316.361	1.923	50	20	DDGD	
CCN(CCO)NC(=O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C	823840892	ABFMNFZBTJIWBM-QLFBSQMISA-N	300.443	1.809	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1nnc2ccccn12	491009437	KEKXLDFHYJHPOH-XFXZXTDPSA-N	305.297	1.981	50	20	DDGD	
O=C(/C=C/c1cccnc1)NNc1ccc(-n2ccnc2)nn1	492842489	RWLLNDSZVHVCIL-ZZXKWVIFSA-N	307.317	1.214	50	20	DDGD	
CC[C@H](Cc1ccccc1Br)C(=O)NCB(O)O	585057563	VVJQCUMVLOILGG-SECBINFHSA-N	313.988	1.146	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(Br)cc1O	496354134	BNRGDGAMCWXREK-UHFFFAOYSA-N	303.112	1.498	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)C=C1CCCCC1	494742225	LDYIOOTYIVUJQH-UHFFFAOYSA-N	311.382	1.549	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)C1CC2(CCC2)C1	496669693	ZHYZHTAIEKUHFB-UHFFFAOYSA-N	311.382	1.239	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)N[C@H]1CCC(F)(F)C1	823280903	IBTWOYYPPDFRHG-JTQLQIEISA-N	323.307	1.681	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cnn(Cc2ccccc2Cl)c1	823982924	HCNQBJJFCLEVDZ-LLVKDONJSA-N	322.796	1.542	50	20	DDGD	
Cc1c(NCc2ccc(B(O)O)cc2F)cnn1CC(C)C	585035403	UBTSKPYHZKXNDU-UHFFFAOYSA-N	305.162	1.279	50	20	DDGD	
CN(NC(=O)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(N)=O	495223547	UNZATZGNWJVXAS-SNVBAGLBSA-N	314.386	1.065	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C[C@H]1C(=O)Nc2c(F)cccc21	820758036	PJYOGYIVQYKSOG-SNVBAGLBSA-N	305.309	1.199	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)c2c[nH]nc2C)c(OC)c1	735410429	DVFGCVWWMGDKFM-UHFFFAOYSA-N	302.334	1.889	50	20	DDGD	
ClCCn1cc(/C=C/c2ccc(-c3nn[nH]n3)cn2)cn1	737560430	AEWMIBNPOMNHBO-HNQUOIGGSA-N	301.741	1.867	50	20	DDGD	
COCCN(C)NC(=O)CCN(C(=O)OC(C)(C)C)C1CC1	496476558	QYSGRPHMWWLHTQ-UHFFFAOYSA-N	315.414	1.385	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2ccc(C(=O)O)o2)c(OC)c1	737926329	SUENLLYUHXDHNX-UHFFFAOYSA-N	318.285	1.759	50	20	DDGD	
N#Cc1cccc(C(=O)NN=Cc2cc(C(=O)O)ccc2O)c1	739132374	MSHZGWOTEGKZTM-UHFFFAOYSA-N	309.281	1.726	50	20	DDGD	
COCCOc1cccc(NCc2ccccc2B(O)O)c1	585012471	ZJKKTLXKQNRSOH-UHFFFAOYSA-N	301.151	1.004	50	20	DDGD	
CN(Cc1ccc(NCc2cccc(B(O)O)c2)cc1)C1CC1	585046722	BGSOOOJRVYXWHM-UHFFFAOYSA-N	310.206	1.573	50	20	DDGD	
Cc1nc(CCC(=O)NNC(=O)Cc2ccc(F)cc2)cs1	733125610	PLYHYYFSDGAFAB-UHFFFAOYSA-N	321.377	1.913	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNC(=O)CCc1ccccc1	839618146	HDEIMDYVRHJPKO-ZDUSSCGKSA-N	306.362	1.356	50	20	DDGD	
C/C=C\C[C@H](CO)NC(=O)NNC(=O)CCCc1ccccc1	588491885	KVIAYAVXQVEJGQ-MPNWYJEXSA-N	319.405	1.667	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCCCN1C	732265377	WSYMGUIOQXBEPV-AWEZNQCLSA-N	319.405	1.260	50	20	DDGD	
CCS[C@H]1CC[C@H](N(C)C(=O)c2cccc(B(O)O)c2)C1	584956027	ZFDXPOWEMPVEGC-KBPBESRZSA-N	307.224	1.113	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(CC(=O)NC)Cc1ccccc1	830621372	CDOBCNZZZRKIIM-WYMLVPIESA-N	301.346	1.205	50	20	DDGD	
C[C@@H]1CCC[C@H]2CCCN(C(=O)c3cc(B(O)O)ccc3F)[C@H]21	584933235	FPZWWJSAOBNWBI-WQGACYEGSA-N	319.185	1.546	50	20	DDGD	
O=C(O)CCCN1CCC(=NNC(=O)c2ccc(O)cc2)CC1	739672467	IGCHDNFIVHJANZ-UHFFFAOYSA-N	319.361	1.439	50	20	DDGD	
COCC[C@@H](C)NC(=O)NNc1ccc(F)c(C(=O)OC)c1	838118430	CRIDEIKGEMSMPP-SECBINFHSA-N	313.329	1.663	50	20	DDGD	
CCc1sc([C@H](C)NC(=O)c2ccc(B(O)O)cc2)cc1C	584964287	BDEGQPQLRJBIIX-NSHDSACASA-N	317.219	1.790	50	20	DDGD	
CS[C@@H]1CCC[C@@H]1c1nc(-c2ccc(B(O)O)cc2)no1	585053336	DSBWUCOKEKPLQY-NWDGAFQWSA-N	304.180	1.416	50	20	DDGD	
CC(C)c1ccc(NNC(=O)NC[C@H](C)S(C)(=O)=O)cc1	838527738	WDEOYLJKRQJXJO-NSHDSACASA-N	313.423	1.869	50	20	DDGD	
CCc1ccc([C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C2)cc1	584991412	AFPJZZXKCKXHTD-QGZVFWFLSA-N	323.201	1.559	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NCC(C)(C)C(C)(C)C)n1	838602405	SYNPDEIGXXCOKM-UHFFFAOYSA-N	323.441	1.903	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	837367347	OPZIPKRQXLPVHK-WCQGTBRESA-N	321.402	1.236	50	20	DDGD	
CCSc1cc(CNCc2ccc(B(O)O)cc2)ccn1	585036307	DPBGJAVIIJVMLQ-UHFFFAOYSA-N	302.208	1.163	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1CCCCN1C)c1ccccc1	732291194	BAERDKJXUQCFKW-GJZGRUSLSA-N	303.406	1.812	50	20	DDGD	
COc1ncc(S(=O)(=O)NN(C)C(=O)OC(C)(C)C)s1	916281350	YFIDTSYQJMRXLY-UHFFFAOYSA-N	323.396	1.212	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cccc(Cl)n1)N(CC)CC	912505872	BXTSBJMEKUWQDI-NSHDSACASA-N	312.801	1.616	50	20	DDGD	
CCOc1ccc(C=NNC(=O)Cn2nc(C)cc2C)c(O)c1	916342800	BMTMLMUPGNOUEV-UHFFFAOYSA-N	316.361	1.755	50	20	DDGD	
C[C@]1(C(=O)NCc2nc(C(N)=O)cs2)C[C@H]1Br	912513897	KZUFUQYLCWRUJC-LDWIPMOCSA-N	318.196	1.032	50	20	DDGD	
C[C@]1(C(=O)N[C@H]2Cc3ccccc3NC2=O)C[C@@H]1Br	913157775	OXAGYDKJFDVTFR-MJVIPROJSA-N	323.190	1.840	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@@H]1C[C@@]12CCc1ccccc12	743317903	QVOXSNLUBHPANA-SMDDNHRTSA-N	312.291	1.990	50	20	DDGD	
Cc1ccccc1[C@@H]1CCN(CC(=O)NNC(=O)C(C)(C)C)C1	744392030	DCRJDJSESRLNHB-CQSZACIVSA-N	317.433	1.978	50	20	DDGD	
CC(C)(N)CNC(=O)NNC(=O)c1cccc2ccccc12	841951119	QVDHRXVCWQKYFY-UHFFFAOYSA-N	300.362	1.521	50	20	DDGD	
Cn1nc(C(=O)NN=Cc2cccc(F)c2)c2ccccc2c1=O	916316659	ZSUWDBZZQNHZGZ-UHFFFAOYSA-N	324.315	1.837	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)[C@H](C)OCCOC)C12CCCC2	748260723	XBXNPKHRFDFHBP-JSGCOSHPSA-N	312.410	1.879	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCCO2)c1cn(C)nc1C	917543347	LOZGDUVUKUCOHX-UHFFFAOYSA-N	314.345	1.654	50	20	DDGD	
CCN1CCC(=NNC(=O)CNc2ccc(OC)cc2)[C@H](C)C1	741453803	WASMDRGOAYSTFX-CYBMUJFWSA-N	318.421	1.941	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)c1ccc(OC)c(OC)c1	746771175	AUTBDNQCJITQOZ-LBPRGKRZSA-N	312.391	1.606	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@@H]1CC[C@@H]2CNC[C@@H]2C1	842014655	IIOOIFJCEYGSBV-WCABBAIRSA-N	311.336	1.374	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1scnc1C	743425066	DRKBZXZZXDJSDU-UHFFFAOYSA-N	305.359	1.989	50	20	DDGD	
C[C@H](COc1ccccc1)NC(=O)NNC(=O)C1CCCC1	918089695	PUDAEIWDRWSRPQ-GFCCVEGCSA-N	305.378	1.975	50	20	DDGD	
CN(C)c1nccc(NNC(=O)NCCc2ccc(F)cc2)n1	740016153	IDZMUSALOQJRRL-UHFFFAOYSA-N	318.356	1.551	50	20	DDGD	
COC(=O)C12CC(C(=O)NNc3cc(C#N)cc(Cl)n3)(C1)C2	843845466	XSWVLKAKUCUPNE-UHFFFAOYSA-N	320.736	1.393	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CC[C@@H]2CCCO2)cc1	846370258	HNIIAGKVYXUYOS-AWEZNQCLSA-N	306.362	1.804	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cncs2)cc1	919835875	SPTHKHDBRGFZPS-UHFFFAOYSA-N	305.359	1.546	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H](F)CC1CCCCC1	843659224	XAHHKLTYXZIGFY-UHTWSYAYSA-N	300.374	1.867	50	20	DDGD	
C=C(C)CONC(=O)NNC(=O)COc1ccc(C)c(C)c1	845589966	MRTHGIFRVYUWRN-UHFFFAOYSA-N	307.350	1.520	50	20	DDGD	
CC(=O)CCc1ccc(O[C@@H](C)C(=O)NN(C)C[C@H](C)O)cc1	910170372	ZUEYZJOSGTUGCQ-KBPBESRZSA-N	322.405	1.319	50	20	DDGD	
O=C(NNC(=O)c1ccccc1-n1cccc1)c1ncccn1	743290684	IULNXBSREDGMET-UHFFFAOYSA-N	307.313	1.342	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)Cc2cc(C)[nH]n2)c(C)n1	911420254	PSAUQPMBXOXNLD-UHFFFAOYSA-N	301.350	1.042	50	20	DDGD	
Cc1cccc(OCCCNC(=O)NNC(=O)c2ccc[nH]2)c1	916225172	FJINBAIPRFQDTR-UHFFFAOYSA-N	316.361	1.736	50	20	DDGD	
O=C(NCc1nc(C2CC2)no1)NNc1cncc(Cl)n1	918238233	ZHQKVKBYMXJMEV-UHFFFAOYSA-N	309.717	1.217	50	20	DDGD	
O=C(NNC(=O)c1cccc2cccnc12)c1n[nH]c2c1CCC2	747422631	QZFRTCSLTDIDJM-UHFFFAOYSA-N	321.340	1.521	50	20	DDGD	
C[C@@H](C(=O)NNc1c(F)cccc1Cl)[C@@H](C)S(C)(=O)=O	841422525	OQJMNWAHAJRJFF-HTQZYQBOSA-N	322.789	1.991	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCSC[C@H]1C1CCC1	842170374	FJNKOUCABLBOKC-LBPRGKRZSA-N	313.467	1.397	50	20	DDGD	
Cn1ccnc(NNC(=O)CSCc2ccc(F)cc2)c1=O	747938038	OEIBNTKYTGZGKY-UHFFFAOYSA-N	322.365	1.296	50	20	DDGD	
O=C(NNC(=S)N[C@@H]1CCc2ccccc2C1)c1cc[nH]n1	849277111	VACYYXITPCYCMI-GFCCVEGCSA-N	315.402	1.076	50	20	DDGD	
O=C(NCC(F)(F)F)NN=Cc1ccc([N+](=O)[O-])c(O)c1	748134419	XBFGLYFRDUUDDB-UHFFFAOYSA-N	306.200	1.496	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F)C(F)(F)F	742478949	XUVACBYJKPTTMR-JGVFFNPUSA-N	322.258	1.939	50	20	DDGD	
CCC(=NNC(=O)Cn1nnc(-c2ccccc2)n1)[C@H]1C[C@@H]1C	841602933	IGBFSSQHKTUTOK-AAEUAGOBSA-N	312.377	1.878	50	20	DDGD	
NCC(F)(F)CNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	846678190	RMHMJOYNWLMKFN-QXFUBDJGSA-N	311.170	1.650	50	20	DDGD	
COCC1(CC(=O)NNC(=O)COc2cc(C)cc(C)c2)CC1	843752059	IVQMUGLYNOFONO-UHFFFAOYSA-N	320.389	1.646	50	20	DDGD	
CCOC(=O)/C(C#N)=C/c1cc2c(cc1[N+](=O)[O-])OCCO2	920397178	IUNAHJWYHXTZAE-BJMVGYQFSA-N	304.258	1.836	50	20	DDGD	
CCOc1ccc(NNC(=O)NC[C@]2(COC)CCCN2)cc1	841996350	KNWDMPFMBFLGPH-INIZCTEOSA-N	322.409	1.480	50	20	DDGD	
C[C@H](OCc1ccccc1)C(=O)NNc1ccnc(N(C)C)n1	740102855	GTCQHSPRNMWYNU-LBPRGKRZSA-N	315.377	1.591	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)[C@H]1CCc2ncncc2C1	844132432	HDUFXKZJQOXFDO-LBPRGKRZSA-N	302.378	1.309	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)CNc2ccccc2F)[nH]1	747627566	KCWJDVSMEASONJ-UHFFFAOYSA-N	318.308	1.503	50	20	DDGD	
CO[C@@]1(C=NNC(=O)c2c(C)nc3ccccn23)CCOC1	841606269	BRSBKSWUYIHZDG-OAHLLOKOSA-N	302.334	1.164	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1nc(-c2ccccc2)no1	842556072	NBOMQDLSTIEKNU-PWSUYJOCSA-N	300.318	1.612	50	20	DDGD	
N#CCCn1ccc(NC(=O)NNC(=O)c2cccc(C#N)c2)n1	756654664	LUAREXHNJXKROE-UHFFFAOYSA-N	323.316	1.135	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1nc2ccccc2n1C	755740618	SYLZTYDXBVOEKK-UHFFFAOYSA-N	315.377	1.328	50	20	DDGD	
Cc1ccc(S(=O)(=O)N2CC=C(C#N)CC2)cc1N(C)C	759082340	VFZLTTOAOGLETR-UHFFFAOYSA-N	305.403	1.905	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H]1C[C@]12CCCc1ccccc12	854925027	ZUFJQNQLWQPODJ-BBRMVZONSA-N	303.431	1.748	50	20	DDGD	
O=C(NNC(=O)c1ccnn1C1CCCC1)OCC(F)(F)F	856022102	QQXAMNIEVRTODU-UHFFFAOYSA-N	320.271	1.932	50	20	DDGD	
CC(C)OC(=O)CCNC(=O)NC[C@@]1(C)C[C@@H]1Br	856818833	UOTZVNOWBIOJSC-JOYOIKCWSA-N	321.215	1.801	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccnc(N(C)C)c1)C1CC1	855101697	XVCQCLKFEKAICG-VIFPVBQESA-N	307.423	1.055	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@H]2C=NNC(=O)[C@H]2CCOC2)cn1	853338856	SBDHBQHEJFYRSP-SGMGOOAPSA-N	306.366	1.026	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)/C=C/C1CCCC1	855825608	IQZTWXNQSKIIDM-ZHACJKMWSA-N	323.437	1.823	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(OC)nc2)nc1	759731389	SXFOGFGXNRXTAA-UHFFFAOYSA-N	302.290	1.029	50	20	DDGD	
O=C(CN1CC[C@@H]2C[C@@H]2C1)NNC(=O)c1ccccc1Cl	852633718	DFVPRNHUUUKTOD-GHMZBOCLSA-N	307.781	1.443	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@H](C)CN1CCN(C)CC1	853694029	LLUMQVFLLGRPRU-CYBMUJFWSA-N	323.416	1.396	50	20	DDGD	
CNC(=S)N(C)NC(=O)C1CC(O)(CCC(C)(C)C)C1	854922139	YTVTXTOVPLIZDD-UHFFFAOYSA-N	301.456	1.421	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C[C@H](C)c1ccco1	859812627	TZUKCZNSWKYTRW-RYUDHWBXSA-N	324.377	1.898	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@@H]2CCCNC2)C[C@H]1Br	857104203	PEFRFSNBRXBLHQ-CKYFFXLPSA-N	304.232	1.459	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)CC(=O)NNc1ccnc(N(C)C)n1	754468622	URZOAPKDBCJWTJ-VIFPVBQESA-N	318.381	1.784	50	20	DDGD	
CC[C@H](C)NC(=O)CCNC(=O)NNc1ccc(Cl)cn1	851993743	LHOGTLFOBULPLD-VIFPVBQESA-N	313.789	1.666	50	20	DDGD	
CCC(F)(F)C(=O)NNC(=O)CCc1ccc(OC)cc1	854511032	XSMPUZKHFBQXNR-UHFFFAOYSA-N	300.305	1.821	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1ccccc1F	758387306	ISBGPOYFONILNO-UHFFFAOYSA-N	300.293	1.700	50	20	DDGD	
O=C(NNC(=O)c1ccc(O)c([N+](=O)[O-])c1)NC1CCCC1	755190716	DQQSTWSNMJEAOY-UHFFFAOYSA-N	308.294	1.187	50	20	DDGD	
O=C(Cc1c[nH]c2cc(F)ccc12)NNC(=O)c1ccc[nH]1	751296163	FTARRPHHNUKRRY-UHFFFAOYSA-N	300.293	1.639	50	20	DDGD	
CC(C)N1CCC[C@H]1C(=O)NNC(=O)Cc1ccccc1F	932376110	GZQFYFALJJQZSP-AWEZNQCLSA-N	307.369	1.388	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NOCC(F)(F)F	765749673	PNLHVIYHCVOQDE-UHFFFAOYSA-N	319.283	1.834	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ncnc3ccsc23)cc1	766678049	FFHMKUIIJKKEGP-UHFFFAOYSA-N	313.342	1.547	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)C(=O)Nc1cnns1	760313498	BGFMQCVJJCOFQN-UHFFFAOYSA-N	317.252	1.037	50	20	DDGD	
Cc1cccc([C@@H]2C[C@H]2C(=O)NNC(=O)[C@H]2CCCCO2)c1	861851926	BKJZXUXSBHESHF-RRFJBIMHSA-N	302.374	1.815	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ncc(Br)s1	765494365	RKWXNZHUHRJMCE-UHFFFAOYSA-N	307.173	1.212	50	20	DDGD	
CC[C@H](Nc1ccccc1)C(=O)NNc1nccnc1OC	764471009	NLQXMJHCUIJBMB-LBPRGKRZSA-N	301.350	1.819	50	20	DDGD	
CC(C)(C)OC(=O)CCC(=O)NNc1ncccc1[N+](=O)[O-]	765870872	MBXLUMOKRRQMMH-UHFFFAOYSA-N	310.310	1.555	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNC(=O)c1ccccc1O	767164363	ZUUSTZGVTIXCPI-UHFFFAOYSA-N	308.334	1.133	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC(OCCO)CC1	768324974	QVZBEZWEVSJKBE-NSHDSACASA-N	322.243	1.796	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCC[S@](=O)C(C)(C)C	866799149	KTJKFTADKLXNFN-KRWDZBQOSA-N	317.904	1.718	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H](O)[C@@H](C)c2ccccc2F)n1	864822494	AZWIWKJLMZDOJV-ZANVPECISA-N	320.324	1.232	50	20	DDGD	
CC(=NNC(=O)CS(C)(=O)=O)c1ccc2c(c1)CCCC2	863188250	RBRLPOZSOCHKSO-UHFFFAOYSA-N	308.403	1.450	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)Cc1ccco1	764525536	TYZFLVQTWLCXMF-UHFFFAOYSA-N	304.302	1.057	50	20	DDGD	
CCCN(CC)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	764209823	IPLKHFMLKBEDOX-UHFFFAOYSA-N	308.338	1.088	50	20	DDGD	
CO[C@@H](C)C(C)=NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	763171147	CWGCTZADDYEZKA-JTQLQIEISA-N	313.379	1.622	50	20	DDGD	
N#CC1=CCN(C(=O)Cn2ccc(Br)cc2=O)CC1	867108472	RLLWFZCBZZKGNY-UHFFFAOYSA-N	322.162	1.293	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc(CSC(F)F)o1	779821203	PWIWJVPRLCRTSZ-UHFFFAOYSA-N	321.305	1.542	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CCc1ccco1	771875330	RLTPXNZJXRGIAE-NSHDSACASA-N	310.350	1.337	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CC1CCC(OC)CC1	772214807	UOZMRYFQFJJLDD-VOMCLLRMSA-N	314.382	1.071	50	20	DDGD	
C[C@H](CBr)COC(=O)c1cccc(C(N)=O)c1	770340310	JZPHUPYRMVTMCH-MRVPVSSYSA-N	300.152	1.973	50	20	DDGD	
Cc1nnc(CCC(=O)NNC(=O)CCCc2ccccc2)o1	874326360	LLQQBOVWODAUMG-UHFFFAOYSA-N	316.361	1.481	50	20	DDGD	
CCCCn1cc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC)c(C)n1	772363959	CLHJFQJTBLUAQG-NSHDSACASA-N	324.381	1.094	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNc2c(C)cccc2F)c(O)n1	771708735	RHDHZKARRSILDV-UHFFFAOYSA-N	304.325	1.932	50	20	DDGD	
C#CCCCCC(=O)NNC(=O)c1ccc(OC)c(OC)c1	773180891	DTRGZIHMSJJZLS-UHFFFAOYSA-N	304.346	1.658	50	20	DDGD	
Nc1cnnc(NNC(=O)Cc2ccccc2[N+](=O)[O-])c1Cl	1116301784	MEUMFZUXWXQBGZ-UHFFFAOYSA-N	322.712	1.306	50	20	DDGD	
CN(NC(=O)c1ccc(OCc2ccncc2)cc1)C(N)=O	778418961	XKMYLQPRWMXRNE-UHFFFAOYSA-N	300.318	1.316	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2nccs2)cc1C	772938981	SCWKZEHWSGTQSE-UHFFFAOYSA-N	318.358	1.160	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)C3CCOCC3)cc2n1C	883069405	HURRPKLJXLSVFL-UHFFFAOYSA-N	316.361	1.069	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCc2nnc(C)s2)cc1	780047087	KMEPZFJVVSILBM-UHFFFAOYSA-N	319.390	1.553	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](Oc2cccc(F)c2)C1	784483011	AKKIRNZDLRKOOP-BXUZGUMPSA-N	323.368	1.225	50	20	DDGD	
CCOC(=O)CCN(C1CC1)S(=O)(=O)CCCCCl	780728436	FTYKVUOEYSGBIN-UHFFFAOYSA-N	311.831	1.753	50	20	DDGD	
CCN(CC(=O)NNc1ccc(OC)cn1)C(=O)OC(C)(C)C	781520034	ZORVALQOGULNGZ-UHFFFAOYSA-N	324.381	1.790	50	20	DDGD	
COc1cc(C)ccc1NC(=O)C(=O)NNc1ncc(F)cn1	784950494	RDYCDFIPPLJTJU-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
COc1ccc(NC(=O)NNc2cnccn2)cc1[N+](=O)[O-]	782634911	WKKHHYQJXJSOGN-UHFFFAOYSA-N	304.266	1.542	50	20	DDGD	
O=C(Cc1noc2ccccc12)NNc1ncncc1Cl	781819805	LJXYTSSHIWWOER-UHFFFAOYSA-N	303.709	1.957	50	20	DDGD	
CC(C)(O)C(=O)NN=C1C(=O)Nc2c1ccc(Cl)c2Cl	785462573	OXNMPZCJWOPNGX-UHFFFAOYSA-N	316.144	1.537	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2	1122448301	MGCXDYHQAHOGAY-BFHYXJOUSA-N	303.362	1.270	50	20	DDGD	
CSc1ccc(NC(=O)C(=O)NNc2cc(C)ncn2)cc1	783945001	RMODQPKAXFCPKA-UHFFFAOYSA-N	317.374	1.589	50	20	DDGD	
C[C@H](NNC(=O)C[C@@H]1NC(=O)c2ccccc21)C(F)(F)F	897877506	WOXBUKLMENYOND-XVKPBYJWSA-N	301.268	1.433	50	20	DDGD	
C=CCS(=O)(=O)CCNC(=O)/C(C#N)=C\c1ccc(O)cc1	787513817	GCWOCFPKBZXITE-RAXLEYEMSA-N	320.370	1.016	50	20	DDGD	
CN1C(=O)CCC[C@H]1C(=O)NNc1nccc2sccc12	894964455	QZCXUGIVSMGEKE-JTQLQIEISA-N	304.375	1.750	50	20	DDGD	
C[C@](O)(CC(=O)NNC(=O)c1cccc(C#N)c1)c1ccccc1	780931399	YQLMNIDNIBGETN-SFHVURJKSA-N	323.352	1.617	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1ccnc(F)c1F	788655691	PLEQUKOPVICLID-UHFFFAOYSA-N	318.243	1.562	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NNc1ccc2c(=O)[nH]ccc2c1	897693548	PNKXCVXSFCSUHL-AWEZNQCLSA-N	314.389	1.844	50	20	DDGD	
O=C(NCCOC1CCSCC1)NNC(=O)c1ccccc1	899074511	YBJMMSNRAPAIQP-UHFFFAOYSA-N	323.418	1.543	50	20	DDGD	
CSSCCNC(=O)NCc1ccnc(N(C)C)n1	790798118	DKZAACRHWDGNMW-UHFFFAOYSA-N	301.441	1.353	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2nc3ccccn3n2)s1	791253391	OHXCJJJXBINZDT-UHFFFAOYSA-N	317.330	1.334	50	20	DDGD	
O=C(NCc1cnn(CC2CCC2)c1)NNc1ncccn1	896969341	GOEWAZANVGGYMW-UHFFFAOYSA-N	301.354	1.300	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCC(F)(F)CC2)c1	796543244	RLLGGUOGENILIY-UHFFFAOYSA-N	311.332	1.487	50	20	DDGD	
C[C@H](Oc1ccc(/C=C(/C#N)C(N)=C(C#N)C#N)cc1)C(=O)O	794685671	IQDSSUYKPYHASV-OGGBREFQSA-N	308.297	1.705	50	20	DDGD	
Cc1cccnc1[C@H]1CCCC(=NNC(=O)C(=O)NC2CC2)C1	799106295	BGLNTTCXFAKOFE-LBPRGKRZSA-N	314.389	1.798	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)COC1CCC(C)CC1	795948832	BRNYRPKMBMOTEC-MOENNCHZSA-N	314.382	1.071	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=C1CCC[C@H]1CCF	794889849	YJYXLBNPKJUAKL-QMMMGPOBSA-N	312.370	1.645	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CCC(=O)c1cnn(C)c1	793970045	IEJOTYYYCXDTTC-UHFFFAOYSA-N	316.365	1.440	50	20	DDGD	
COc1cccc(C2=NO[C@H](C(=O)NNC(=O)CC(C)C)C2)c1	792046270	IVUSQCVHZQXBQZ-AWEZNQCLSA-N	319.361	1.382	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCCC[C@@H]2N2CCCCC2)CC1	790175478	ZPXKKZAILVGBKI-INIZCTEOSA-N	321.469	1.728	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cnn(-c2ccccc2)c1)n1ccnc1	1318500252	ZYBQKSXRBFTZSI-GFCCVEGCSA-N	324.344	1.091	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2Cl)CCO1	1319726521	IQNFPNZPWJQMIH-VHSXEESVSA-N	311.769	1.852	50	20	DDGD	
CCc1cc(CNC(=O)NNc2nncc(N)c2Cl)on1	1319205271	DBHDTYQITODUSM-UHFFFAOYSA-N	311.733	1.089	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C2CC2)ccc1N1CCCC1=O	1320365294	VEBPFTNUBJWRQP-UHFFFAOYSA-N	316.361	1.685	50	20	DDGD	
CCn1c(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc2ccccc21	1328550127	AVTDOENOZJJMRY-YPMHNXCESA-N	315.373	1.847	50	20	DDGD	
Cn1nc2ccccc2c1C(=O)NN=c1cc[nH]cc1Cl	1320692012	JLEQVHXQMJHQMN-UHFFFAOYSA-N	301.737	1.801	50	20	DDGD	
COc1cccc(C[C@@H](O)C(=O)NNc2ncccc2C)c1	1326267126	HUQCIDKNQVCGGX-CQSZACIVSA-N	301.346	1.445	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1cc(Cl)ccc1OC(F)F	1325946560	CFQUNWINOSOPTF-UHFFFAOYSA-N	323.683	1.477	50	20	DDGD	
Cc1cc(NC(=O)NNCC(F)(F)C(F)(F)F)nnc1C	1328932901	TWLBSPQOWLFCOR-UHFFFAOYSA-N	313.230	1.917	50	20	DDGD	
CCOC(C)(C)CNC(=O)NNC(=O)c1ccc(OC)cc1	1320516199	OZVULXYWTVMZMX-UHFFFAOYSA-N	309.366	1.454	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1cc(F)ccc1O	1252648822	GRARNRSQRPVFJO-UHFFFAOYSA-N	318.308	1.208	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccc(Br)o1	1336570789	IDAKYHIXHFBAHC-UHFFFAOYSA-N	306.116	1.455	50	20	DDGD	
CC(C)CC1(CNC(=O)NNC(=O)C2CCNCC2)CCCC1	1331456826	SFOJZXCWBONJAU-UHFFFAOYSA-N	324.469	1.923	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1CCCc2cnn(C(C)C)c21	1333116297	VKCCPWBMMHRIIK-NSHDSACASA-N	309.370	1.754	50	20	DDGD	
CC[C@H](C)n1nccc1C(=O)NNC(=O)Cc1cccnc1	1338587638	WXDBTYGCWUDEDH-NSHDSACASA-N	301.350	1.253	50	20	DDGD	
N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NNC(=O)c1cn[nH]c1	1334929553	DUAPUFHIQZAKKI-CQSZACIVSA-N	324.344	1.303	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cnccc1C(F)(F)F	1331552280	FZPLIKGTOBASGX-UHFFFAOYSA-N	317.267	1.288	50	20	DDGD	
C[C@@H](NNC(=O)c1ccccc1N1CCCC1=O)C(F)(F)F	1331792681	WSDCGAIGXCBSSX-SECBINFHSA-N	315.295	1.999	50	20	DDGD	
N#CC1=CCN(C(=O)c2ccc(Cn3ccccc3=O)o2)CC1	1411931325	BKRXPABYQSEGHV-UHFFFAOYSA-N	309.325	1.785	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C2CCC(NC(C)=O)CC2)c1	1263770210	XVISQJNJFWTJJS-UHFFFAOYSA-N	323.368	1.972	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCc1nccn1C)c1ccccc1	1348831820	VFPGJSANWCROKX-CQSZACIVSA-N	314.389	1.694	50	20	DDGD	
Cc1ccc(C)c(-c2cc(C(=O)NNC(=O)[C@H]3C[C@@H]3F)n[nH]2)c1	1346722373	SDWXXBYCCFJHHQ-RYUDHWBXSA-N	316.336	1.813	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCCC(F)F)cc1	1346877805	HQPKVRKWEHYRQJ-UHFFFAOYSA-N	301.293	1.359	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2c(C)cnn2CC2CC2)o1	1342389372	IABYDLQDRWWHJN-UHFFFAOYSA-N	317.349	1.969	50	20	DDGD	
CSSCCNC(=O)NC[C@H](CO)CC1CCOCC1	1342496570	RZSQIYNUSNNQMU-GFCCVEGCSA-N	322.496	1.722	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1cc(COC)cc(C(=O)O)c1	1605619057	RVFVOJITAMZUSH-XFXZXTDPSA-N	304.302	1.914	50	20	DDGD	
CN(C)N(C(=O)c1ccc(C#N)o1)c1nc(CC(=O)O)cs1	1606037421	SKWRVNJWLBLFTO-UHFFFAOYSA-N	320.330	1.358	50	20	DDGD	
N#Cc1ccc(NNC(=O)C23CC(C(=O)O)(C2)C3)cc1Cl	1608208855	QNMQQVLZAKYVBL-UHFFFAOYSA-N	305.721	1.910	50	20	DDGD	
CCC(=NNC(=O)c1ccccn1)c1ccc(-c2nn[nH]n2)cc1	1603965606	OEGVCISIFVQPIL-UHFFFAOYSA-N	321.344	1.806	50	20	DDGD	
O=C(O)CC(=O)NNC(=O)CSc1ccc(Cl)cc1	1601887849	AOCHJYVCTCLFIA-UHFFFAOYSA-N	302.739	1.054	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)C2(C(=O)C3CC3)CC2)c1F	1602446668	IMCNVVGKEDPLID-UHFFFAOYSA-N	306.293	1.726	50	20	DDGD	
Cc1cccc2sc(NNC(=O)CCN3CCNCC3)nc12	1579784678	MUMYMRTWSBVVHV-UHFFFAOYSA-N	319.434	1.343	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@]1(C)CCNC1	1574048159	GIUOHAVQTQWQQG-AWEZNQCLSA-N	308.407	1.012	50	20	DDGD	
CC(C)c1ccc2occ(C(=O)NNC(=O)[C@H]3CCN3)c2c1	1575859930	WQNFDKGMZHIZLH-CYBMUJFWSA-N	301.346	1.679	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)C2(N)CCCC2)c1	1579672560	HDFJENBIZLCMCE-UHFFFAOYSA-N	306.435	1.893	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)c1ccc(-c2cnn[nH]2)nc1	1578015551	RFAJGLZRAPVSLI-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H]2CCC[C@H]2N)c1	1574766961	XOKZDMIJWDNICO-QWHCGFSZSA-N	302.403	1.113	50	20	DDGD	
O=C(NN=c1cc[nH]cc1F)c1csc(C2CCNCC2)n1	1580739446	FQFGSQIJMMCSIJ-UHFFFAOYSA-N	321.381	1.323	50	20	DDGD	
CO[C@H](C)C(=O)N1CCCC12CN(C(=O)C(Cl)Cl)C2	1846406256	ZAUAUKUROOZAKC-MRVPVSSYSA-N	309.193	1.028	50	20	DDGD	
C=CCSCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](F)Cl	1848062386	RIHNYLDBQKMTQX-JBLDHEPKSA-N	320.817	1.642	50	20	DDGD	
CC(=NNC(=O)Cc1nc(C)cs1)c1ncc(C(=O)O)s1	1589012312	HMCXMPRATYYQPC-UHFFFAOYSA-N	324.387	1.689	50	20	DDGD	
O=C(NN=C1CCCc2n[nH]cc21)c1ccc(-c2nn[nH]n2)cc1	1593155401	LUUFMVCVCAFRPO-UHFFFAOYSA-N	322.332	1.060	50	20	DDGD	
COc1nnc(NC(=O)NNc2ccc(CC(=O)O)cc2)s1	1599738007	CXATYDWCXPLAPE-UHFFFAOYSA-N	323.334	1.322	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1C[C@H](C(=O)O)Oc2cc(F)ccc21	1596860266	IEPQURZEXUNLST-MMQHEFTJSA-N	320.276	1.448	50	20	DDGD	
C[S@@](=O)c1ccc(C(=O)NNc2ccccc2C(=O)O)cc1	1599780147	ZLEXGOFEVMUCQO-JOCHJYFZSA-N	318.354	1.879	50	20	DDGD	
O=C(NCCCC(F)(F)F)NNc1ncccc1C(=O)O	1594757378	YWCPWQQFBXRNBN-UHFFFAOYSA-N	306.244	1.748	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H]2CO[C@@H](CCC(=O)O)C2)cc1	1592705628	TYZVCWXHOVZLMZ-FZMZJTMJSA-N	322.361	1.798	50	20	DDGD	
COCC(=O)NN[C@@H](C(=O)O)c1cccc(C(F)(F)F)c1	1599142402	BJPXXVVAHKOGFA-SNVBAGLBSA-N	306.240	1.098	50	20	DDGD	
COCC(=O)NN=C1CCCCc2cc(-c3nn[nH]n3)ccc21	1591367513	FQQHGOCTCSHZEQ-UHFFFAOYSA-N	314.349	1.060	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1cccc(C(=O)O)c1C	1598877120	QSPDXFWWNACOKE-UHFFFAOYSA-N	323.349	1.615	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)Nc1cncc(C(=O)O)c1	1594781994	NGPKCHUQGRLGDA-UHFFFAOYSA-N	307.697	1.977	50	20	DDGD	
N#C/C(=C/c1cc[nH]c(=O)c1)C(=O)Nc1ccc(C(=O)O)cc1	1776129930	AYVNFNARRUKBQJ-GHXNOFRVSA-N	309.281	1.619	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(C(=O)O)cc1OC	1776039590	JPZBJHXDLJTLQP-UHFFFAOYSA-N	309.322	1.063	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl)[C@@H]1CCOC1	1796810064	NRWSTGWNOCVLLJ-RMPHRYRLSA-N	318.776	1.196	50	20	DDGD	
CCc1ccc(Cl)c(CC)c1NC(=O)C(=O)NNC(C)=O	161229749	BPIHVDDMSSQIQZ-UHFFFAOYSA-N	311.769	1.571	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2C[C@H]3CCC[C@H]3C2)c1	152798651	NVHDCUZUKWLMHK-GASCZTMLSA-N	301.390	1.488	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1ccc(F)cc1Cl	156230463	KWWXHKDMUOBJLC-UHFFFAOYSA-N	301.774	1.703	50	20	DDGD	
COc1ccc(NNC(=O)CC2CCOCC2)c([N+](=O)[O-])c1	155348007	MJOBATNEIQRCEU-UHFFFAOYSA-N	309.322	1.863	50	20	DDGD	
O=S(=O)(CCCCl)N1CCN(c2cccc(O)c2)CC1	881769484	ZEDIEDBRFXEFAZ-UHFFFAOYSA-N	318.826	1.473	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1	176142927	MLCFTERBBYQUFI-AWEZNQCLSA-N	322.384	1.483	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)CCCOc1ccccc1C	109832083	HRDGRTCYRJDHFZ-AWEZNQCLSA-N	321.421	1.642	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H]2CCC[C@@H](C)C2)c1O	175619136	ZZPWPMGOGJXQOO-GHMZBOCLSA-N	306.362	1.988	50	20	DDGD	
O=C(/C=C/C1CCOCC1)NNC(=O)c1c[nH]c2ccccc12	112193691	KJYINYBDPQRRFD-AATRIKPKSA-N	313.357	1.912	50	20	DDGD	
CC(C)c1cc(CNC(=O)NNC(=O)c2ccccc2)on1	114516626	JMOYSGHGPLEALQ-UHFFFAOYSA-N	302.334	1.942	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)CCCc2ccccc2)C[C@@H](C)O1	69342076	NWBDFAHXQANRIM-OKILXGFUSA-N	319.405	1.859	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CC[C@H]1CC[C@H](C)O1	173235370	GGTPGHCAVLDWQF-NWDGAFQWSA-N	306.362	1.804	50	20	DDGD	
CC[C@H](O)[C@@H]1CCCCN1[C@@H](C)C(=O)NNC(=O)CC(C)C	114460473	NRUXEMHHOKRTKK-IHRRRGAJSA-N	313.442	1.194	50	20	DDGD	
CN1CCC(NC(=O)NNc2cc(F)c(F)c(F)c2)CC1	175174024	VNOQEJIUTOLAEO-UHFFFAOYSA-N	302.300	1.824	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccccc1C(F)(F)F	66595228	DYZSYOUELYIUSZ-UHFFFAOYSA-N	305.256	1.895	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccncc2)ccc1-n1cncn1	172910803	BEHAIUMEIGQOHH-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
CCc1ncc(C(=O)NNC(=O)c2cccc(N(C)C)c2)s1	68413099	UPAVWIOMAFVFFI-UHFFFAOYSA-N	318.402	1.846	50	20	DDGD	
O=C(CSc1nc2ccccc2o1)NNc1ncc(F)cn1	122410708	CWKHIIKIMNVLTN-UHFFFAOYSA-N	319.321	1.992	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)c1ccccc1)N1CCCCC1	67286103	GQKMLHJCEHBEFH-HNNXBMFYSA-N	303.406	1.958	50	20	DDGD	
O=C(NCc1nc2ccccc2s1)NNC(=O)c1ccc[nH]1	123248585	MITIOQXCCUKHLW-UHFFFAOYSA-N	315.358	1.769	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc[nH]2)c(C)c1	123195276	FJFBKQQJFQRTGP-UHFFFAOYSA-N	300.318	1.031	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CC=CCC1	77639634	SOMDMTQTBOUMTE-LLVKDONJSA-N	304.306	1.648	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc2nc(C3CC3)sc2c1	185961869	WMJOBLHVIZGUKW-UHFFFAOYSA-N	318.358	1.280	50	20	DDGD	
CCN(C)C(=O)[C@@H](C)NC(=O)NNc1cccc([N+](=O)[O-])c1	187825356	KROGLIHXDGQGSR-SECBINFHSA-N	309.326	1.088	50	20	DDGD	
CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)NNc2ncccn2)C1	79091520	MPHLVMHTVCUETI-HJTOQOCKSA-N	311.411	1.183	50	20	DDGD	
CN(NC(=O)Cc1cccc(OCc2cccnc2)c1)C(N)=O	182667488	LOJAECNTCLDUHN-UHFFFAOYSA-N	314.345	1.245	50	20	DDGD	
C[C@H]1CCC[C@@H](NC(=O)NNC(=O)Cc2cccnc2)CC1	187976587	CCKKZCSMQGMOIK-GXTWGEPZSA-N	304.394	1.923	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)c1ccco1	186061943	DJVLKTOJBQAMTC-UHFFFAOYSA-N	310.331	1.449	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NNc1cccc2c1CCCC2	120003591	VJXFHVMKIAUPLM-CQSZACIVSA-N	304.394	1.846	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	184961734	VPRXCRXIJPKGFE-LLVKDONJSA-N	306.337	1.790	50	20	DDGD	
CN(C(=O)/C(C#N)=C\c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1	181841017	KRDIJFSNBHYTOM-ICDLMJIXSA-N	322.361	1.378	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc3c(c2)CCO3)[nH]n1	183664939	WHRGVUSCBHWHAD-UHFFFAOYSA-N	301.306	1.120	50	20	DDGD	
CC1(Cn2cc(C(=O)NNc3ccc(F)cc3)nn2)COC1	183282027	GOMHINNVAWLXBQ-UHFFFAOYSA-N	305.313	1.211	50	20	DDGD	
CCc1ncc(NC(=O)C(=O)NNc2ccc(Cl)cc2)cn1	131083701	KKJHRCBDKYGAEY-UHFFFAOYSA-N	319.752	1.774	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1Cc2cc(C)c(C)cc2O1	75564625	VZBRULOADBLFNP-CYBMUJFWSA-N	305.403	1.288	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)nc1	133713850	MLOKBWJHTUNPER-UTUOFQBUSA-N	320.393	1.573	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccccc2C)c(O)c1	45591423	GRXUIRMUBAXGJV-UHFFFAOYSA-N	300.314	1.784	50	20	DDGD	
COc1cccc(C)c1NC(=O)NNC(=O)c1cccnc1	194974862	OFFPMCGLZMXRIQ-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
COc1ccc(OC)c(CC(=O)NNc2nc(C)cc(C)n2)c1	192994952	OAYNNZQQBCKEQI-UHFFFAOYSA-N	316.361	1.796	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cc(F)c(Cl)cc1Cl	190074025	CHTHUGXAJLEZFE-UHFFFAOYSA-N	309.124	1.664	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCC(=O)c1cc(C)ccc1C	41961994	XXCUEPZODKILDP-UHFFFAOYSA-N	319.430	1.948	50	20	DDGD	
CCC(C)(C)CNC(=O)NNC(=O)COc1ccccc1C#N	190767681	ULTMWJVZBHZCAD-UHFFFAOYSA-N	318.377	1.704	50	20	DDGD	
CCOCCC1(CNC(=O)NNC(=O)c2ccccc2)CC1	133939402	HJOSIZUAFFXZEI-UHFFFAOYSA-N	305.378	1.837	50	20	DDGD	
CCCN(CCC)C(=O)CCC(=O)NNC(=O)c1ccc(C)o1	84374041	DFPPJHDQWPHFQL-UHFFFAOYSA-N	323.393	1.778	50	20	DDGD	
CCN(CC)CCOc1ccc(C(=O)NNC(=O)N(C)C)cc1	194940112	FRXUMQYAQROUCX-UHFFFAOYSA-N	322.409	1.323	50	20	DDGD	
O=C(NCc1ccncc1)NNC(=O)c1cccc(Cl)c1	192909692	SMFZFOYZZZQEPJ-UHFFFAOYSA-N	304.737	1.879	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1cnn(CC(F)F)c1	92018830	KIHXLZRZEAZLIE-UHFFFAOYSA-N	309.276	1.615	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cc(Cl)nc(N2CCCC2)c1	264917361	QCYHZNSMLCICHC-UHFFFAOYSA-N	308.769	1.506	50	20	DDGD	
CC(C)(C)CCC(=O)NNC(=O)Cc1cn2ccccc2n1	266911450	HNWFCXHFRSEDKV-UHFFFAOYSA-N	302.378	1.851	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)CCc2ccccc2O)O1	268226525	LACSSSPSUBVFFH-OCCSQVGLSA-N	306.362	1.430	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)N[C@H](CC)COC	265783470	KWTYBBXHZZUHLS-CYBMUJFWSA-N	323.393	1.383	50	20	DDGD	
CN1CCCc2cc(CNC(=O)NNC(=O)C3CCC3)ccc21	264729687	GLQKABFARAZDKU-UHFFFAOYSA-N	316.405	1.700	50	20	DDGD	
O=C(NC[C@@H]1CCOC1)NNC(=O)c1cccc2ccccc12	266574635	QJUBOJGFWFUSPO-LBPRGKRZSA-N	313.357	1.820	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2CCOC3(CCCC3)C2)n1	269353612	SBVGGNLUCMHNJC-NSHDSACASA-N	321.381	1.603	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@]12CCOC2)c1ccc2ccccc2n1	368106300	CZGQQPJTAOZZJR-SJKOYZFVSA-N	311.341	1.422	50	20	DDGD	
O=C1CCCC[C@@H]1[C@@H]1CCCN1S(=O)(=O)CBr	364904867	JTSGJTKNZJNZMB-ZJUUUORDSA-N	324.240	1.892	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)c(C)c1	274086453	SIFXXNIMGGOKQJ-UHFFFAOYSA-N	321.377	1.526	50	20	DDGD	
C=C(C)[C@H](CC(=O)NNc1ccc(C(=O)OC)cn1)OCC	270403462	WDSFUMXQPFYYTH-LBPRGKRZSA-N	307.350	1.683	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccc(OC[C@H]2CCCO2)c1	271356129	MHMFGOPGWMGUQW-CQSZACIVSA-N	321.377	1.551	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H]1CC(C)(C)OC1=O	270946185	XAPKYOBTLYHAPF-JTQLQIEISA-N	313.785	1.563	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1cccc(C#N)c1	274239456	RPBJGICVXROQQI-UHFFFAOYSA-N	304.306	1.053	50	20	DDGD	
C[C@@](O)(CC(=O)NNC(=O)c1c[nH]c2ccccc12)C1CC1	270119497	LWDQHNSKNCUBOK-MRXNPFEDSA-N	301.346	1.480	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C(=O)N2CCC[C@H](C)C2)c1	278498488	WPJYFXAPOYYBLY-NSHDSACASA-N	319.361	1.175	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNC(=O)CNc1ccc(OC)cc1	272263164	XIWKKYITBNYIKP-GFCCVEGCSA-N	323.393	1.317	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNc2ccc(C(F)(F)F)nn2)CCO1	271986770	KNGLQZNINHVIDZ-JGVFFNPUSA-N	304.272	1.754	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1C[C@H]2CCC[C@@H](C2)C1	376360974	VNSYTCMUYHEXEY-KBPBESRZSA-N	302.378	1.487	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNC(=O)CNc1ccc(C)cc1C	287286811	YSGOHBOZAXRLIX-MRXNPFEDSA-N	302.378	1.803	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)C2=CCCCC2)C[C@H](C)O1	289612361	ULHMXUFXDNYIEN-STQMWFEESA-N	309.410	1.134	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C	286482399	VHSUZXMFAYFXAJ-UHFFFAOYSA-N	317.349	1.497	50	20	DDGD	
Cc1ccc(S(C)(=O)=O)cc1C(=O)NCC(Cl)Cl	288292141	RWHSBXRPTNNJIJ-UHFFFAOYSA-N	310.202	1.932	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cc2ccccc2c(=O)n1C	285018516	BSRXDVAJJJZSKY-UHFFFAOYSA-N	301.346	1.346	50	20	DDGD	
COCCN(C)NC(=O)c1cnc(-c2ccccc2)nc1C	288313914	CQZLTBNGMWHKEA-UHFFFAOYSA-N	300.362	1.675	50	20	DDGD	
O=C(CC[C@@H]1Cc2ccccc2NC1=O)NNC(=O)CC1CC1	294001886	APDORTPOYUGQQQ-CYBMUJFWSA-N	315.373	1.525	50	20	DDGD	
COc1ccc2c(c1F)CCC2=NNC(=O)c1cnccn1	807961726	BYYPTXNMBHQIPC-UHFFFAOYSA-N	300.293	1.705	50	20	DDGD	
CCCCOCCNC(=O)NNc1ccc2c(=O)[nH]ccc2c1	806616231	CIDNTQDCCQQQNF-UHFFFAOYSA-N	318.377	1.971	50	20	DDGD	
CC(C)(C)CCC1(O)CC(C(=O)NNC(=O)c2ccc[nH]2)C1	294536105	UTUYDHSOOCDOLK-UHFFFAOYSA-N	307.394	1.743	50	20	DDGD	
C[C@H](SCc1ccccc1)C(=O)NNC(=O)N1CCOCC1	299403505	WTCQVBWWCVINOE-LBPRGKRZSA-N	323.418	1.381	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCCN(C)Cc1ccccc1	298778843	UGGXOBZKKPHSDX-UHFFFAOYSA-N	320.437	1.885	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	293968339	RRNBXKYKHAWSJE-PTRXPTGYSA-N	308.382	1.235	50	20	DDGD	
CC(C)Oc1cccc(NC(=O)C(=O)NNC(=O)C2CCC2)c1	297452308	QSEQWIIDORHWKY-UHFFFAOYSA-N	319.361	1.360	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)NOCC1CC1	297321856	LWMUFTDZPDKQSV-UHFFFAOYSA-N	311.363	1.156	50	20	DDGD	
CSSCCNC(=O)N(CCN(C)C)C[C@@H]1CCCO1	807231916	RREPRGJEMBFUIF-LBPRGKRZSA-N	321.512	1.750	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccc(-n3ccnc3)nn2)cc1C#N	804956187	CTOBXKWNMMLCPZ-UHFFFAOYSA-N	319.328	1.599	50	20	DDGD	
O=C(NNc1ncccc1F)Nc1ccn(CC(F)F)n1	806330399	NTCBRIUOHJQLIH-UHFFFAOYSA-N	300.244	1.831	50	20	DDGD	
NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)CCCCCl)CC1	817142734	WZVJZLGWUDFNAE-XYPYZODXSA-N	310.847	1.217	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)c1nnc2ccccc2n1	810594825	RMWOVBMDYPZPHF-UHFFFAOYSA-N	323.341	1.786	50	20	DDGD	
N#CCN1CCC(NC(=O)NNc2cccc(Cl)n2)CC1	814297028	ATXPUFWRTIZUJK-UHFFFAOYSA-N	308.773	1.349	50	20	DDGD	
CCOc1ccc(OCCCC(=O)NNc2cnnn2C)cc1	816772395	XUZJXVZQUWIBLK-UHFFFAOYSA-N	319.365	1.516	50	20	DDGD	
O=C(NN=C1CC(C(=O)O)(c2ccccc2)C1)c1cnccn1	814794142	ZLPZEGOGTWDILK-UHFFFAOYSA-N	310.313	1.379	50	20	DDGD	
CCc1nocc1C=NNC(=O)c1cc([N+](=O)[O-])ccc1O	814858206	OVKUTYNQIMABIE-UHFFFAOYSA-N	304.262	1.615	50	20	DDGD	
COCCC(COC)=NNC(=O)c1ccc(O)c(Cl)c1	812226428	MJZAIIVBNBZMDR-UHFFFAOYSA-N	300.742	1.814	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCc1nnc(-c2ccsc2)o1	823977558	ZRQXHKUJUDDIHN-VIFPVBQESA-N	310.379	1.075	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@@H](NC(=O)/C(C#N)=C\c2cnn(C)c2)C1(C)C	491048329	KVNPECPHOVDKRJ-SHWQBPEUSA-N	302.378	1.503	50	20	DDGD	
COC(=O)NN=Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1	496345580	MPWBYAYVNQUQNL-UHFFFAOYSA-N	324.337	1.699	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1coc(-c2ccccc2Cl)n1	823939985	SLJBPLLIYZLALO-VIFPVBQESA-N	309.753	1.952	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1cccc(OCC(=O)O)c1	490637763	JBDDXPABMROBHE-JYRVWZFOSA-N	318.329	1.210	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNc1cccc(-c2nn[nH]n2)c1	825290669	DOGMQFSQDSAQEQ-JTQLQIEISA-N	304.354	1.515	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(CC1CC1)C(=O)OC(C)(C)C	491919467	NRLWCZGZOICUBE-UHFFFAOYSA-N	313.398	1.437	50	20	DDGD	
O=C(CCc1ccco1)NN=Cc1ccccc1-c1nn[nH]n1	826409235	OAMIMQNUOSSZLP-UHFFFAOYSA-N	310.317	1.543	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1Cc2cccc(C)c2O1	828524533	MGGSTFQETQFFTK-NSHDSACASA-N	300.318	1.240	50	20	DDGD	
CCOc1cn(-c2ccccc2)nc1C(=O)NN(C)[C@H](C)CO	823959575	LUXRYSNFPNZQLE-GFCCVEGCSA-N	318.377	1.228	50	20	DDGD	
C[C@H]1CCC[C@@H]1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	824925442	CTUDUMXLUSURRF-CABZTGNLSA-N	314.349	1.064	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)Cc1c[nH]c2ccccc12)C(C)C	491632353	OURPHLDENUDZLA-AWEZNQCLSA-N	312.373	1.699	50	20	DDGD	
CCC(=O)C1(C(=O)NN=c2sc3ccccc3n2C)CC1	822363256	VFSLEYRQSMJLTC-UHFFFAOYSA-N	303.387	1.931	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)/C=C\C1CCCC1	493465159	YPSAAFLHZNAZMZ-KHPPLWFESA-N	318.373	1.968	50	20	DDGD	
O=C1CC[C@@H]2[C@H]1[C@H]2C(=O)NNc1ccc(C(F)(F)F)nn1	907123936	NVDKRQHXMVRNAP-PDFZIDOMSA-N	300.240	1.164	50	20	DDGD	
C[C@@]1(C(=O)NCCc2nnc3ccccn23)C[C@@H]1Br	905397484	XEFBNZMELIGISQ-TVQRCGJNSA-N	323.194	1.562	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)CC(C)(C)C)c1nnc2n1CCC2	730935908	GHESZLYQNNBSQV-VIFPVBQESA-N	308.386	1.052	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NS(=O)(=O)CC)c1C	490636854	CQULZLHRVLEITG-ZROIWOOFSA-N	323.418	1.888	50	20	DDGD	
COC(=O)NN=Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1	490786252	BSXNBFINMKVWQA-UHFFFAOYSA-N	303.278	1.685	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21)c1cccc(OC(F)F)c1	906560453	YRRVAULHKXHYDN-ZMLRMANQSA-N	324.283	1.274	50	20	DDGD	
OB(O)c1ccc(CNc2ccc3c(c2)CCOC3)c(F)c1	585047593	SDERCDCDRQCFAD-UHFFFAOYSA-N	301.126	1.190	50	20	DDGD	
CCCN(NC(=O)CCS(C)(=O)=O)C(=O)OC(C)(C)C	495941846	SRJULCOJMFGZDT-UHFFFAOYSA-N	308.400	1.099	50	20	DDGD	
CCCC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1	491391604	OYTNRSRWWJRYEA-UHFFFAOYSA-N	313.398	1.581	50	20	DDGD	
COC(=O)[C@H](CC1CC1)NC(=O)/C(C#N)=C\c1ccc(O)cc1	491044434	CBYLKMREHCWAEF-ODDCISTRSA-N	314.341	1.757	50	20	DDGD	
C[C@H](NC(=O)C(C)(C)C)C(=O)NNc1cnnc2ccccc12	733808777	IPQLPWGOSQSQEK-JTQLQIEISA-N	315.377	1.624	50	20	DDGD	
CCc1[nH]c(C(=O)NNc2ccc(Cl)nn2)c(C)c1C(=O)O	737245132	WHTTUTCCLOFDLB-UHFFFAOYSA-N	323.740	1.784	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N2CC[C@H](c3ccco3)C2)c1	732247020	ARHXXFJWZFIAJF-AWEZNQCLSA-N	324.340	1.995	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1ccc(N2CCOCC2)cc1	588616057	OYVITLFGEDHFND-RVDMUPIBSA-N	321.402	1.279	50	20	DDGD	
Cc1csc(NCCNC(=O)/C(C#N)=C/c2cnn(C)c2)n1	909445132	LDIBXLFLKXRVTI-LFYBBSHMSA-N	316.390	1.320	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)[C@@H]1CCS(=O)(=O)C1	836931451	AYJSUTLECASFQD-SECBINFHSA-N	302.783	1.526	50	20	DDGD	
C[C@H]1C[C@H](CNC(=O)NNc2cccc(C(=O)O)c2)CCO1	833594946	GWTCLOBLEVXNOV-WDEREUQCSA-N	307.350	1.826	50	20	DDGD	
C[C@@]1(C(=O)Nn2cc(Br)cn2)C[C@H]1Br	907105641	UZEMPTLNHODLBK-HTRCEHHLSA-N	322.988	1.889	50	20	DDGD	
COc1cc(OC)cc([C@H](NNC(=O)C2CCCC2)C(=O)O)c1	832056675	HCPUPCONUALORB-AWEZNQCLSA-N	322.361	1.641	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc2c(c1)OCCO2	831041539	DWEOPUFJLWEHQR-KOLCDFICSA-N	321.333	1.036	50	20	DDGD	
CO[C@@H]1C[C@@H](NCC(=O)NNC(=O)c2cccs2)C12CCC2	839192002	RTVPRNJZSVLLDY-VXGBXAGGSA-N	323.418	1.056	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCCCCCCN)c1	831248954	QMUDJAMGJFEGJK-UHFFFAOYSA-N	322.409	1.223	50	20	DDGD	
CN(NC(=O)c1cccc([S@@](C)=O)c1)C(=O)OC(C)(C)C	838372407	RGAHEJQYUDIWBM-OAQYLSRUSA-N	312.391	1.936	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H]1CC(=O)N(C2CCC(C)CC2)C1	731341167	YCQFIKAYDVLPIB-MOKVOYLWSA-N	323.437	1.607	50	20	DDGD	
CCCCNC(=O)[C@H](C)OC(=O)/C(C#N)=C/c1cnn(C)c1	837970101	XVFFOWQWDYPODO-DELQEKLWSA-N	304.350	1.175	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CC(C)(C)C)cc(C(N)=O)c1	836736129	VLGYPDHIOQFQDK-UHFFFAOYSA-N	306.366	1.683	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NNC(=O)OCC(F)(F)F	912597314	QGSJBXBYSRNEMH-MUWHJKNJSA-N	320.271	1.395	50	20	DDGD	
COC[C@@H](OC)C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	830806399	LZSHUSSKZHYLDF-LLVKDONJSA-N	317.267	1.682	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)OCC(=O)N2CCCCCC2)cn1	837970141	YNNYCVQLFPBISQ-RIYZIHGNSA-N	316.361	1.273	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cc2cccc(OC)c2o1	748259431	JDUUNYZVSZKSJV-NSHDSACASA-N	320.345	1.943	50	20	DDGD	
CCOc1cc(C=NNC(C)=O)ccc1O[C@H](C)C(=O)N(C)C	916267321	MBDNCBDPSAMTRG-LLVKDONJSA-N	321.377	1.411	50	20	DDGD	
O=C(NN=Cc1c(Cl)nc2ccccn12)N1CCOCC1	745590667	DRXLQQQXMOAPAT-UHFFFAOYSA-N	307.741	1.363	50	20	DDGD	
C[C@@H](CCN(C)C)NC(=O)NNC(=O)c1cc2c(s1)CCC2	744866647	VRQIAEWVRGFXPZ-JTQLQIEISA-N	324.450	1.521	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1Cc2ccccc21	741912712	SABYSIFPAFIRTF-OAHLLOKOSA-N	310.353	1.725	50	20	DDGD	
C[C@H]1C[C@@H]1c1ccc(CCC(=O)NNC(=O)c2ncccn2)o1	841354309	MAHTXLHXEKBPJR-JQWIXIFHSA-N	314.345	1.587	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CN[C@H](CC)CC#N)cc1C	846984523	BRKSKWDHUKOSNP-LLVKDONJSA-N	322.434	1.662	50	20	DDGD	
CC1=C(C(=O)N(C)CC(Cl)Cl)[C@H](C)n2nnnc2N1C	848084307	ZTJKPUOWWLJEDD-ZETCQYMHSA-N	319.196	1.220	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccccc2F)ccc1=O	748059123	JMBNDVVZFPAZDC-UHFFFAOYSA-N	305.309	1.391	50	20	DDGD	
O=C(NNc1c(F)cccc1F)[C@@H]1CCCS(=O)(=O)C1	845854766	JTIJZMORYJAZCK-MRVPVSSYSA-N	304.318	1.233	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)c1ccncc1F	741207866	UMSLQKDKEVKLQM-UHFFFAOYSA-N	313.292	1.032	50	20	DDGD	
CSc1ccc(Cl)c(C(=O)NNc2nccn(C)c2=O)c1	747937428	HGDQXQRCSGWJOZ-UHFFFAOYSA-N	324.793	1.913	50	20	DDGD	
CC[C@@H](Nc1ccccc1)C(=O)NNc1ccnc(N(C)C)n1	740113016	XCSQOLCQNGPYTK-CYBMUJFWSA-N	314.393	1.876	50	20	DDGD	
O=C(NNC(=O)C1CCC(C(F)(F)F)CC1)c1ncccn1	841351664	AUOVDBDWGKKWNQ-UHFFFAOYSA-N	316.283	1.606	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCC[C@@H]1C[C@H]2C=C[C@H]1C2	847404058	SMSIQJJMCDMAEW-MBJXGIAVSA-N	307.394	1.344	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCC2CC2)cc1OC	743522063	WLNIZRPZBIJRAD-UHFFFAOYSA-N	307.350	1.448	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccc(C#N)cc1)Cc1ccco1	744383213	JBMAGYUDLAYBLR-UHFFFAOYSA-N	312.329	1.044	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)[C@@H]1Cc2ccccc21	746553478	LVNCNHUOSSXGHS-OAHLLOKOSA-N	320.352	1.364	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1cnc(-c2ccccc2)[nH]1	743471883	ZMVDOCLDEZWPIP-UHFFFAOYSA-N	320.316	1.500	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2nccn3ccnc23)cc1	741144129	FXHGAFKSFONAIH-UHFFFAOYSA-N	309.329	1.367	50	20	DDGD	
O=C(NNc1ccccn1)NC1CCN(C(=O)C2CC2)CC1	916260876	MGPZAMDGGUCJOE-UHFFFAOYSA-N	303.366	1.109	50	20	DDGD	
CCCC[C@H](CN)NC(=O)NNC(=O)c1ccc(Cl)cc1	841959284	PFNMYWWSMMXLQK-GFCCVEGCSA-N	312.801	1.802	50	20	DDGD	
Cc1nc(SCCC(=O)NNc2cccnc2Cl)n[nH]1	840477360	VKORIKZDFOYNME-UHFFFAOYSA-N	312.786	1.787	50	20	DDGD	
C[C@H](NC(=O)NNc1nccc2sccc12)c1nncn1C	746941396	AZFYGBSROZGDQX-QMMMGPOBSA-N	317.378	1.812	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(C#N)c2)CS1	840416916	GISGUBXSZSCXTD-JOYOIKCWSA-N	304.375	1.396	50	20	DDGD	
Cn1nc(C(=O)NN=C2CCC[C@@H]3C[C@H]23)c2ccccc2c1=O	841610676	QXLSZKHSJIFQDL-MFKMUULPSA-N	310.357	1.839	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cccc(Cl)c1)c1cnn(C)c1	743634585	ZLIKDZYHNOPEPY-SECBINFHSA-N	321.768	1.779	50	20	DDGD	
Cc1cc(C(F)(F)F)nn1CCNS(=O)(=O)CCl	920865740	OICHTIVVCRQDIA-UHFFFAOYSA-N	305.709	1.326	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1cnn(C)c1	741805306	OTLALQZBVLFLOM-HNNXBMFYSA-N	314.345	1.490	50	20	DDGD	
CC[C@@H](Oc1cccc(C)c1)C(=O)NNc1nnc(C)c(O)n1	749524558	XUEOSXSSCMAOQL-GFCCVEGCSA-N	317.349	1.495	50	20	DDGD	
CSSCCNC(=O)NCc1nc([C@H]2CCCO2)n[nH]1	847369084	JEYJMWPKICBTSK-MRVPVSSYSA-N	317.440	1.467	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC(C)(C)OCC2CC2)o1	840428713	URYZWABJOXYWDY-UHFFFAOYSA-N	309.366	1.737	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)[C@@H](Br)C(C)(C)C)C(N)=O	925089135	NOCATXNROPETDF-XHNCKOQMSA-N	307.232	1.812	50	20	DDGD	
Cc1ccc(-c2nc(C(=O)NNC(=O)C(C)C)cs2)n1C	758087948	BDIPUCGHXDIHFB-UHFFFAOYSA-N	306.391	1.874	50	20	DDGD	
Cc1ccc(OCCCC(=O)NNC(=O)c2cc[nH]n2)c(C)c1	855357720	QEKATNKQHRSDQS-UHFFFAOYSA-N	316.361	1.647	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2C[C@H](C)Cc3c[nH]nc32)nc(C)n1	857857022	GUAGNSQMIUHVAQ-PELKAZGASA-N	300.366	1.626	50	20	DDGD	
CSSCCNC(=O)N1CCN([C@@H]2CCOC2)CC1	852314883	MWTNXSHGVICUQF-LLVKDONJSA-N	305.469	1.114	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(C)nc2c1cnn2C(C)C	854926615	FWDLKYFHUVJNJE-UHFFFAOYSA-N	320.422	1.402	50	20	DDGD	
CC[C@@H](C)NC(=O)CCNC(=O)NNc1ccc(Cl)cn1	851993742	LHOGTLFOBULPLD-SECBINFHSA-N	313.789	1.666	50	20	DDGD	
C[C@H]1CCCC[C@@H]1CNC(=O)NNC(=O)c1cccc(F)n1	852710250	LFAMKKCRTZGXCS-WDEREUQCSA-N	308.357	1.991	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2ccc(Cl)cn2)CN1C1CC1	852195628	IVINOOYZUQHSPG-ONGXEEELSA-N	309.801	1.986	50	20	DDGD	
CC(C)Nc1ccc(C(=O)NNC(=O)OCC(F)(F)F)cn1	856020795	ULVKKWNBYNIIIL-UHFFFAOYSA-N	320.271	1.835	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)/C=C(/C)C(C)(C)C	854282314	IAKYONXCUGKURZ-KHPPLWFESA-N	301.456	1.853	50	20	DDGD	
C[C@@H](NC(=O)NNc1cc(F)ccc1F)[C@H]1CN(C)CCO1	921553048	HTJLTSVBFRNEQI-NOZJJQNGSA-N	314.336	1.310	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cnc2ccccn12)C1CC1	855099145	SJMPJBVJASNUBB-VIFPVBQESA-N	303.391	1.242	50	20	DDGD	
O=C(NN=C1CS(=O)(=O)Cc2ccccc21)[C@@H]1CCCCO1	853353097	QEAAFJXBNROTRZ-AWEZNQCLSA-N	322.386	1.004	50	20	DDGD	
O=C(NCC1CC1)NN=C1CCS(=O)(=O)c2ccccc21	920829121	MKZKVPPSDGQTTR-UHFFFAOYSA-N	307.375	1.277	50	20	DDGD	
CC(=O)NNC(=O)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	856734729	XAVHKZMIYVAEQQ-LBPRGKRZSA-N	313.398	1.581	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1nc(Br)c2ccccn12	929231780	KQDAWGRGGXOBPN-UHFFFAOYSA-N	323.150	1.268	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc2cnn(CCOC)c2c1	756269851	JINNEVRRGXWCHT-UHFFFAOYSA-N	305.338	1.245	50	20	DDGD	
CCC(C)(CC)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855832823	CUTNTPBUFLTQBM-UHFFFAOYSA-N	313.442	1.903	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CC2(CCC2)Oc2ccccc21	753162403	JZUKJOSDHMRBCT-UHFFFAOYSA-N	315.373	1.737	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NNc1ccc(Cl)cn1	852235239	WZHHXLOUCKRODU-ZJUUUORDSA-N	311.773	1.276	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2nccnc2OC)c1Cl	857539889	JPVGBFVLGAFQEV-UHFFFAOYSA-N	310.745	1.420	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1coc(C2CCC2)n1	855089776	GEMAGIOLKGKGQE-UHFFFAOYSA-N	308.407	1.851	50	20	DDGD	
CN(C)c1ncc(CNC[C@]2(C)C[C@H]2Br)n1C	856810237	WLHKMEDWDHNVPL-PWSUYJOCSA-N	301.232	1.749	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2nc3c(s2)CCCC3)nn1	926441653	DNHKFIBPNBLNDG-UHFFFAOYSA-N	318.406	1.947	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCn2c(nnc2C(C)(C)C)C1	856362845	RXUUUAZTGGIHPK-ZHACJKMWSA-N	303.366	1.362	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cc2ccn(C)n2)c1C	855623456	FLMGFSRUXAGYCJ-UHFFFAOYSA-N	302.334	1.201	50	20	DDGD	
CN(CC(=O)NNc1cc(Cl)nc(N)n1)c1ccccc1	753458141	WGAOTMRXHDCUEC-UHFFFAOYSA-N	306.757	1.292	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@H]1CCc2cc(F)ccc21	854997746	SHCMBMYCRADJLF-JTQLQIEISA-N	304.243	1.955	50	20	DDGD	
CC(C)C[C@H](O)CNC(=O)NC[C@]1(C)C[C@H]1Br	856956924	WXOXREVTXLXMHH-UMNHJUIQSA-N	307.232	1.866	50	20	DDGD	
CC[C@](C)(NC(=O)NNC(=O)[C@H]1CCO[C@H]1C)C(F)(F)F	933508183	FXDTTYBCPHQDKP-LAEOZQHASA-N	311.304	1.473	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@]1(C(=O)OC(C)(C)C)C[C@H]2CC[C@H]1C2	854213550	IVCDIRPUOQQCMJ-NVGCLXPQSA-N	324.421	1.938	50	20	DDGD	
CS(=O)(=O)CC1(CC(=O)NNc2ccnc(Cl)c2)CC1	855468365	VQYQSJKDKVIQSD-UHFFFAOYSA-N	317.798	1.393	50	20	DDGD	
O=C(NN=Cc1csc(C2CC2)n1)[C@@H]1CN2CCC[C@@H]2CO1	853387893	SRRJWZCEDCRZAR-OLZOCXBDSA-N	320.418	1.334	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)COc2ccc(F)cc2)n1	752398924	MHOYPHOKPKBYBW-UHFFFAOYSA-N	319.292	1.069	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H]2C[C@H](OC)C2(C)C)n1	753428886	HRSLRBFNYDRVFR-UWVGGRQHSA-N	309.370	1.233	50	20	DDGD	
CC[C@@]1(C(=O)NNc2cc(F)c(F)c(F)c2)CCNC1=O	866879709	DWIJQJOGWQMZSI-CYBMUJFWSA-N	301.268	1.463	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNc1nc2ccccc2cc1C	867242700	DITGKYJVZJFAFB-CYBMUJFWSA-N	300.362	1.901	50	20	DDGD	
CC[C@@H](Cc1ccccc1C)C(=O)NNC(=O)COCCOC	869905851	SIOZIFYPFBGYAI-AWEZNQCLSA-N	322.405	1.374	50	20	DDGD	
CO[C@@]1(CNC(=O)[C@@H](Br)C(C)(C)C)CCOC1	768446082	FUUXTTGICRQPIB-BXKDBHETSA-N	308.216	1.718	50	20	DDGD	
Cc1cc(=NNC(=O)C[C@H](C)NC(=O)OC(C)(C)C)cc[nH]1	862512957	MVVFKKZPKOBEKN-NSHDSACASA-N	308.382	1.558	50	20	DDGD	
Cc1ccccc1C[C@@H](C)C(=O)NNc1nnc(C)c(O)n1	863855332	XKFCQPYXXSKARY-SNVBAGLBSA-N	301.350	1.516	50	20	DDGD	
OB(O)c1ccccc1CNc1ccc2oc(C3CC3)nc2c1	864020316	RDGDYNJFTWKNIT-UHFFFAOYSA-N	308.146	1.997	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)C[C@@H]1CCOC1	764046332	DAVAGGSNJNQSKK-JTQLQIEISA-N	310.375	1.058	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cccc2cccnc12)C1CCC1	863861870	BRARXOHAYLBOGB-UHFFFAOYSA-N	312.373	1.480	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cnn2c1OCCC2	863099049	JHZRNFZOQIUSGG-UHFFFAOYSA-N	314.214	1.098	50	20	DDGD	
Cc1cc(=NNC(=O)c2ccc3nnc(C(C)(C)C)n3c2)cc[nH]1	862512055	IMUZDTRACLTGQN-UHFFFAOYSA-N	324.388	1.909	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1ccc(C(=O)O)s1	865214300	QRSKOLAOIZPJOG-NTMALXAHSA-N	308.359	1.896	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=Cc1cccc(OC(F)(F)F)c1	863189953	XPZOAUCOGLCMIV-UHFFFAOYSA-N	324.280	1.080	50	20	DDGD	
CC[C@@H](CS(=O)(=O)NNC(=O)c1cc(C)cs1)OC	863413605	KHGXNDONRZCUDC-VIFPVBQESA-N	306.409	1.046	50	20	DDGD	
CN(C)c1ccccc1N(C)CC(=O)NNC(=O)C(C)(C)C	762926404	JSULPXNTJFRONC-UHFFFAOYSA-N	306.410	1.382	50	20	DDGD	
COc1cc(C=NNC(=O)C(=O)N2CCCC2)ccc1Cl	863085949	RZBCULGNQCMGKH-UHFFFAOYSA-N	309.753	1.421	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cccc(Br)c1O	769741208	JUUOCDZYRJSREI-UHFFFAOYSA-N	302.128	1.071	50	20	DDGD	
COc1cccc(C(C)(C)C(=O)NNC(=O)N2CCOCC2)c1	865046525	LZBVRVVDEPNOIZ-UHFFFAOYSA-N	321.377	1.046	50	20	DDGD	
CC(C)(CC(=O)NNC(=O)CS(C)(=O)=O)C1CCCCC1	863465581	CCVJEOUMAKWHBH-UHFFFAOYSA-N	318.439	1.175	50	20	DDGD	
C[C@H](Sc1nnnn1C1CC1)C(=O)NN[C@@H](C)C(F)(F)F	862308746	HEEBLUXWNQPOBU-WDSKDSINSA-N	324.332	1.060	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cn(C)nc1C(C)(C)C	769570856	WZPQFDYWUHQKIC-UHFFFAOYSA-N	320.422	1.829	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)C2CCCC2)CCO[C@H]1C1CC1	768531937	BULRDMYXIDWCDW-XJKSGUPXSA-N	309.410	1.712	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=O)CC(F)(F)F)c1C1CC1	766138358	OYCJQPFVPKNJSS-UHFFFAOYSA-N	318.299	1.884	50	20	DDGD	
CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)NNc1cccnn1	1116563014	UMAVXAQYJHIYBS-OAHLLOKOSA-N	323.397	1.861	50	20	DDGD	
COc1c(C)cnc(CNS(=O)(=O)CBr)c1C	769933402	AJGYEAIGEQJHFM-UHFFFAOYSA-N	323.212	1.479	50	20	DDGD	
C[C@H](C=NNC(=O)[C@@H]1CCO[C@@H]1C)CNC(=O)OC(C)(C)C	1118237342	VFYGJLJUTNRSJA-QJPTWQEYSA-N	313.398	1.674	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1	875027797	HQFODROUFQWYEK-NQBHXWOUSA-N	305.382	1.713	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCO[C@H]2C)c(Cl)cc1O	872384386	PZUOGXMKIUZZBG-WCBMZHEXSA-N	312.753	1.929	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H](C)N1CCc2ccccc2C1	875100611	UEDMCQIJICUPSQ-LBPRGKRZSA-N	320.393	1.346	50	20	DDGD	
O=C(NN=Cc1ccc(O)cc1F)c1n[nH]c2c1CCCC2	1118228182	MNANUUMLOQRYBL-UHFFFAOYSA-N	302.309	1.897	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NN=Cc1cnsc1	872361191	QKGQSUBUGTTYRV-UHFFFAOYSA-N	312.395	1.898	50	20	DDGD	
COc1ccc(C#N)cc1NC(=O)NNc1ncc(F)cn1	775580347	AFEDZILYWWMIRH-UHFFFAOYSA-N	302.269	1.645	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@@H](C)c1ccncc1	772204163	VANAWMBIKGXTDJ-GHMZBOCLSA-N	307.350	1.064	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NOC[C@@H]2CCOC2)nn1	1116733626	LALIGEMCUOCPHL-SNVBAGLBSA-N	309.370	1.368	50	20	DDGD	
O=C(NNc1ncc(Cl)cc1Cl)c1ccc2nnnn2c1	775271136	AOBUXLGBZOLWMG-UHFFFAOYSA-N	324.131	1.583	50	20	DDGD	
COCCOCC(=O)NN=Cc1cc(C(F)(F)F)ccc1F	872402223	AECHOYRGAHYSBL-UHFFFAOYSA-N	322.258	1.958	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NN=c2sc3ccccc3n2C)CCO1	776284725	CJDQMFQUPJQTQP-GHMZBOCLSA-N	305.403	1.987	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H]1COC2(CCC(C)CC2)O1	875464821	NUABIGWCNCVUMN-IQLKVPPVSA-N	315.370	1.221	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccc(N(C)C(C)=O)cc1	875821882	YOZBBLJRTGVXEI-UHFFFAOYSA-N	308.338	1.082	50	20	DDGD	
CCO[C@H](CC)C(=O)NNC(=O)c1nc2ccccc2s1	874913764	REPKAGMWSVZAGL-SNVBAGLBSA-N	307.375	1.872	50	20	DDGD	
Cc1cnccc1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	770208278	KXVHUIXOJDJGTH-NSHDSACASA-N	317.320	1.758	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1c[nH]c2cc(C)ccc12	772041278	IDHLSFORMZPAMA-SNVBAGLBSA-N	317.345	1.579	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)[C@@H](F)CC)cc1OC	1120504393	MVNXGOQKKYXXTK-NSHDSACASA-N	312.341	1.993	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@H](F)Cc1ccccc1	777983618	XJGPNPIAIKBTAO-CQSZACIVSA-N	301.321	1.352	50	20	DDGD	
C[C@@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)CCCCl	881922969	XMFNNVFDKRFUKP-WCQYABFASA-N	305.827	1.699	50	20	DDGD	
CC(C)(C)OCc1cc(C(=O)NNc2ncc(F)cn2)no1	771436296	GKUZPMAECAJCTC-UHFFFAOYSA-N	309.301	1.676	50	20	DDGD	
CC[C@H](OC1CCCCC1)C(=O)NNC(=O)C1CCOCC1	883066175	NQEXHMIENWSBEH-AWEZNQCLSA-N	312.410	1.688	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)c2ccccc2F)c(C)n1	1120575186	XMFBHPXXMAAAOI-UHFFFAOYSA-N	304.325	1.815	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cc(C(N)=O)cs1	777828764	PUKUSJGRBDJAMB-UHFFFAOYSA-N	319.342	1.391	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCC[C@@H]2CCCC[C@@H]2O)cn1	887554109	LIAJUVMEGVHKDQ-DIPPSJHCSA-N	302.378	1.384	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C1CCOCC1)c1ccc2c(c1)OCO2	883070045	DNYXZMBSWBFVBK-JTQLQIEISA-N	320.345	1.093	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C2CCOCC2)cnn1CC(C)C	883067455	IYSBXQATOWVCQN-UHFFFAOYSA-N	308.382	1.035	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H]2CO[C@@H](C)C2)c1C	784141798	CTWQUHONJMTOQT-IACUBPJLSA-N	320.389	1.643	50	20	DDGD	
CCOc1cc(F)ccc1NC(=O)C(=O)NNc1cccnn1	784862991	SOWYSPIJGIWBTJ-UHFFFAOYSA-N	319.296	1.096	50	20	DDGD	
CC(=O)N[C@@H](CC(=O)NN=c1cc[nH]cc1)c1cccs1	780761447	VGYHCZBFIHEXSA-LBPRGKRZSA-N	304.375	1.276	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1F)[C@H]1CCc2nncn2C1	885106812	JGMBOMCSFXSIDV-QMMMGPOBSA-N	309.732	1.776	50	20	DDGD	
CC(C)CNC(=O)NC(=O)[C@H](C)OC(=O)/C(C#N)=C\C1CC1	786678509	DNUGZEGSWXOREE-OGGBREFQSA-N	307.350	1.260	50	20	DDGD	
Cc1ccc(F)c(CCNC(=O)NNC(=O)C2CCOCC2)c1	883679980	YVIKKXNZDMBMCW-UHFFFAOYSA-N	323.368	1.434	50	20	DDGD	
CCCN(C(=O)/C(C#N)=C/c1cnn(C)c1)[C@H](C)C(=O)OC	888608876	SNESJKLQQQSRTP-ZTFCMROMSA-N	304.350	1.127	50	20	DDGD	
O=S(=O)(CCCCl)Oc1cccc(-n2ccnn2)c1	882066969	KBJXZRZRBUDQSR-UHFFFAOYSA-N	301.755	1.605	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1	780833240	FKBSAIFHZBPICO-DGCLKSJQSA-N	320.393	1.582	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H]1CC12CCOCC2	780737856	DIJIOJOWPUVDQQ-LBPRGKRZSA-N	304.346	1.733	50	20	DDGD	
CCNc1nc(C(=O)NNC(=S)NC(C)(C)C)cs1	899997981	CQJPNTOVBJLECL-UHFFFAOYSA-N	301.441	1.482	50	20	DDGD	
CN(C(=O)CNS(=O)(=O)CCCCCl)C1CCCCC1	780807009	FCNLJQPEUWOVKR-UHFFFAOYSA-N	324.874	1.716	50	20	DDGD	
CNC(=O)C1CCC(NC(=O)NCCSSC)CC1	790699032	UKGAZILRURLSCY-UHFFFAOYSA-N	305.469	1.602	50	20	DDGD	
C[C@@H](Oc1ccc(C=NNC(=O)[C@H]2CCOC2)cc1)C(=O)O	794940489	WKQIKEARUSTKGD-PWSUYJOCSA-N	306.318	1.025	50	20	DDGD	
O=C(CN1CCC(CC(F)(F)F)CC1)NNC(=O)C1CC1	792933893	PCJOHCYEZFAPBF-UHFFFAOYSA-N	307.316	1.208	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2c(C)noc2C(F)F)n1	794079981	JGRSOCKIJIQJPL-UHFFFAOYSA-N	310.260	1.699	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1ccc([N+](=O)[O-])[nH]1	798311011	APMJGOFACCZZTF-UHFFFAOYSA-N	303.278	1.698	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCCCN1CCN(C)CC1	791013806	MSEGOMAYMMUSQI-UHFFFAOYSA-N	320.441	1.044	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Cc1cccc(C(F)F)c1	790483847	KPYKFUWHARZDGH-UHFFFAOYSA-N	307.300	1.966	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@H](C)n1cncn1	798143237	KAXYFEJBWZEXLW-QMMMGPOBSA-N	309.761	1.549	50	20	DDGD	
CC(=NNC(=O)CNc1ccccc1F)c1ccnc(O)c1	790287763	LNSBQWAJBDKYCU-UHFFFAOYSA-N	302.309	1.879	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc2ccccc2c(=O)o1	791226304	VLIRPSDWBSEVGO-UHFFFAOYSA-N	312.285	1.349	50	20	DDGD	
O=c1oc2ccc(OS(=O)(=O)CBr)cc2o1	799823868	JMBAIFJPFJQSRV-UHFFFAOYSA-N	309.093	1.447	50	20	DDGD	
N#CC[C@H](CC(=O)NNC(=O)c1ccccn1)c1ccccc1	792761796	HKZAJQQRTPMPIF-CQSZACIVSA-N	308.341	1.930	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2nnn(C)c2C)c2ccccc2n1	799009809	MNYIKXGPNXCTQJ-UHFFFAOYSA-N	324.344	1.055	50	20	DDGD	
CO[C@@H]1COC[C@@H]1NS(=O)(=O)c1ccc(CCl)cc1	916279405	DXPHALZVEHSJFT-NWDGAFQWSA-N	305.783	1.118	50	20	DDGD	
CC(=NNC(=O)CCO)c1ccc(F)cc1Br	1319361520	QPUJBSHGFHYZMW-UHFFFAOYSA-N	303.131	1.811	50	20	DDGD	
CN1CCN([C@H](CNC(=O)CCl)c2cccs2)CC1	1319785804	MREBAZFWHRIVQX-LLVKDONJSA-N	301.843	1.392	50	20	DDGD	
Cc1ccn(-c2cccc(C(=O)NNC(=O)c3ccccn3)c2)n1	1317989316	NXJRSUINLQEGKO-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
N#CSCCCNC(=O)CCc1nc(-c2ncccn2)no1	1325286936	URXSNRBOJFAQAD-UHFFFAOYSA-N	318.362	1.180	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1csc(C#N)c1	1324731730	OWCAZMHNDUSRRU-UHFFFAOYSA-N	311.363	1.170	50	20	DDGD	
COCCN(C)CCOc1cccc(CNC(=O)CCl)c1	1323270415	SJSVQCBBUPVMSN-UHFFFAOYSA-N	314.813	1.499	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cccc3c2OCO3)c1Cl	1322656307	QTKFPDRMVZVRIQ-UHFFFAOYSA-N	307.697	1.198	50	20	DDGD	
COC(=O)C(=O)NNC(=O)NCC[C@H]1C[C@H](C)CC(C)(C)C1	1324758970	NZDHTEHQPZVYIX-QWRGUYRKSA-N	313.398	1.342	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1cc[nH]n1)c1ccc(F)cc1F	1320131255	DZRZYYXOXHRVND-QMMMGPOBSA-N	308.288	1.182	50	20	DDGD	
COc1cccc(NNC(=O)c2[nH]nc(C(F)(F)F)c2C)n1	1335892069	RCUXFRPNFBJVQG-UHFFFAOYSA-N	315.255	1.897	50	20	DDGD	
Cc1nn(C)c(Br)c1C(=O)NNc1cccnn1	1344654441	GHFSAAJOGDDAGN-UHFFFAOYSA-N	311.143	1.038	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCCCc1cccc(O)c1	1349960129	OEDOBBGXGVLHRT-SWLSCSKDSA-N	320.389	1.677	50	20	DDGD	
O=C(NNc1ncncc1F)c1cnc([C@@H]2CCCO2)s1	1261257824	IEOFBILNQXDODY-QMMMGPOBSA-N	309.326	1.681	50	20	DDGD	
C[C@@H](CCCCN)NC(=O)NNC(=O)c1ccccc1Cl	1345152458	AYOISXHAEBHARR-JTQLQIEISA-N	312.801	1.802	50	20	DDGD	
CC(C)(C)OC1CCN(C(=O)NNC(=O)c2cn[nH]c2)CC1	1348123009	QFTAVEACGNRLTB-UHFFFAOYSA-N	309.370	1.044	50	20	DDGD	
COc1ccc(NNC(=O)NCc2cc(C3CC3)nn2C)nc1	1340968048	KJTLYGFYALLPSH-UHFFFAOYSA-N	316.365	1.527	50	20	DDGD	
COCCC(C)(C)CNC(=O)NNc1nncc(N)c1Cl	1342448284	VOYZPYUOLDEQCN-UHFFFAOYSA-N	316.793	1.401	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCCC(C)(C)CO)c1	1352571682	UUCJXUIBHQJVBE-UHFFFAOYSA-N	313.423	1.799	50	20	DDGD	
COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)c1cccc(CCl)c1	1353643746	CBSFXTWCYNLITF-STQMWFEESA-N	311.765	1.564	50	20	DDGD	
COc1ccc(C(=O)N2CC=C(C#N)CC2)cc1S(C)(=O)=O	1362168186	PGQJUBJMSVCELB-UHFFFAOYSA-N	320.370	1.395	50	20	DDGD	
COCCN(CCC(=O)O)C(=O)[C@]1(C)C[C@H]1Br	1604597838	OEGZTJUANSMWIX-LDYMZIIASA-N	308.172	1.110	50	20	DDGD	
Cc1ccc(NNC(=O)CCc2ocnc2C(=O)O)cc1F	1600462869	PZROFFFWLXWNKN-UHFFFAOYSA-N	307.281	1.896	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)c1ccsc1-c1nn[nH]n1	1606861769	COONPTLAUVYNKU-UHFFFAOYSA-N	322.741	1.129	50	20	DDGD	
O=C(CCC(=O)NC1CCCC1)NNc1ccccc1C(=O)O	1601260787	VGBMAKYUCDWCIC-UHFFFAOYSA-N	319.361	1.667	50	20	DDGD	
Cn1cc(C=NNC(=O)CCN2CCCCCC2)cc1C(=O)O	1600945953	OECKQTORRDZSGG-UHFFFAOYSA-N	320.393	1.440	50	20	DDGD	
Cc1cccc(NNC(=O)COCc2ocnc2C(=O)O)c1	1600542202	BJVWLVPQGLHCDT-UHFFFAOYSA-N	305.290	1.341	50	20	DDGD	
O=C(COc1cccnc1)NNc1cccc(F)c1C(=O)O	1601345576	PPRONDNOTJLPCA-UHFFFAOYSA-N	305.265	1.441	50	20	DDGD	
O=C(O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(CCl)cc1	1602174215	GPZUQQVTDHTRLV-NEPJUHHUSA-N	317.794	1.957	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)N[C@@H]1CCO[C@H](C2CC2)C1	1608483280	MCRUWWLVMISURN-OCCSQVGLSA-N	319.361	1.969	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)C1SCCS1	1610288188	YAXFNOVKKSVVPD-UHFFFAOYSA-N	314.388	1.643	50	20	DDGD	
O=C(O)CCN1CCC(=NNC(=O)CCc2ccco2)CC1	1610773749	WQPPOKXKLHYJDL-UHFFFAOYSA-N	307.350	1.255	50	20	DDGD	
Cc1n[nH]cc1C=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccnn1C	1549317353	VAPQATCYRLMNLW-OCCSQVGLSA-N	316.365	1.070	50	20	DDGD	
C[C@@H]1OCCC1=NNC(=O)[C@@H]1CCCO[C@@H]1c1nccn1C	1549308612	CSDLGBVQRMHGTC-LOWVWBTDSA-N	306.366	1.169	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)Nc1ccc2c(c1)OCO2)[C@H](C)N	1575414712	RVHWBZVQMDHSKU-TVQRCGJNSA-N	322.365	1.187	50	20	DDGD	
C=C(CBr)CN1CC[C@H](C(=O)OC)C[C@@H]1C(=O)O	1588606317	WLGDKACRXKGDHX-VHSXEESVSA-N	320.183	1.276	50	20	DDGD	
O=C(C[C@@H]1NCc2ccccc21)NNC(=O)c1cccc(F)n1	1580522054	AQIKBZYXYFZVJG-ZDUSSCGKSA-N	314.320	1.216	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccccc1-c1nn[nH]n1	1588775859	LQVYIYRERITHJL-ZYHUDNBSSA-N	314.349	1.132	50	20	DDGD	
CC1(C)OC[C@@H]2C[C@@]21C(=O)NNc1cccc(C(=O)O)c1F	1593976094	GKVXHSWSIXOFAV-AYVTZFPOSA-N	308.309	1.782	50	20	DDGD	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNc1cncc(Br)c1	1594227432	JZMHCOJZNJEOLG-KBUNVGBDSA-N	314.139	1.398	50	20	DDGD	
CN(Cc1ccccc1)C(=O)/C(C#N)=C\c1cc(C(=O)O)nn1C	1593760018	MWZFCOXBOFQHDK-JYRVWZFOSA-N	324.340	1.684	50	20	DDGD	
C[C@@H](NNC(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1)C(F)(F)F	1593319252	OATONFPSXBRVER-RXMQYKEDSA-N	321.211	1.478	50	20	DDGD	
CO[C@H]1C[C@H](CNC(=O)NNc2ccc(F)c(C(=O)O)c2)C1	1599326245	AHCVNLWDKLTRDX-CZMCAQCFSA-N	311.313	1.575	50	20	DDGD	
C[C@@H](Cn1ccnc1)NC(=O)NNc1ccc(C(=O)O)cc1F	1592931340	VDZUQEIIJFSWRP-VIFPVBQESA-N	321.312	1.435	50	20	DDGD	
Cc1ccccc1OCC(=O)NNC(=O)Cc1ccc(F)cc1	15529049	JAMRHKRXAQUSHY-UHFFFAOYSA-N	316.332	1.903	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)COc1ccc([N+](=O)[O-])cc1	17398364	HIFINGXFDDBURT-UHFFFAOYSA-N	311.294	1.530	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)N[C@H]1C=CCCC1	158793454	ZPWMHBPFUHCKGV-LBPRGKRZSA-N	307.325	1.644	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccccc1OCCn1ccnc1	163285208	OFTVMAPIKOTWSA-UHFFFAOYSA-N	303.322	1.135	50	20	DDGD	
Cc1cccc(C)c1NC(=O)C(=O)NNc1ncc(F)cn1	157684289	SIMHAUUUZMYMOX-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
C[C@H](NS(=O)(=O)c1ccc(CCCl)cc1)C(=O)N(C)C	36900418	WGJLQHVFYPZVBJ-JTQLQIEISA-N	318.826	1.223	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccc(OCC#N)cc2)nn1	171558602	BMGHIOKQAKCGNB-UHFFFAOYSA-N	312.333	1.514	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccccc2O)c1C	22258684	QBHNFIUWLFPPLU-UHFFFAOYSA-N	315.329	1.615	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(C(F)(F)F)c1)S(C)(=O)=O	103277231	MSQIWRAODNTAMQ-ZETCQYMHSA-N	310.297	1.582	50	20	DDGD	
CCNC(=O)NNC(=O)c1csc(-c2ccccc2OC)n1	58867450	XCFAVCMRNPMHFP-UHFFFAOYSA-N	320.374	1.783	50	20	DDGD	
CCCN(Cc1ccccc1O)[C@H](C)C(=O)NNC(=O)CC	109836045	JUVRXJGRNYWSGS-GFCCVEGCSA-N	307.394	1.550	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1nc(-c2ccccc2)oc1C	65190291	KKSWHGIDPYVGNA-UHFFFAOYSA-N	302.334	1.543	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)CCn2ccccc2=O)nn1	118523973	KYENQSXWLSPISI-UHFFFAOYSA-N	315.377	1.469	50	20	DDGD	
CCCOc1ccc(OCC(=O)NNc2cnccn2)cc1	114877830	MROFHVVJRNVOMJ-UHFFFAOYSA-N	302.334	1.788	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1CCCN1C(C)=O)c1ccccc1	110963302	IYMBPBHRYZEFIV-GJZGRUSLSA-N	317.389	1.339	50	20	DDGD	
CSC[C@@H](C)C(=O)NNC(=O)COc1cc(C)cc(C)c1	66817240	PNKNPJGDFZTUGJ-GFCCVEGCSA-N	310.419	1.829	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1Cl)N[C@H]1CCOC1	179149773	VVWARNZODODSGA-QMMMGPOBSA-N	318.160	1.726	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)CC2CCCC2)C[C@H](C)O1	68194884	FRRCCFSIJLFEDO-STQMWFEESA-N	311.426	1.213	50	20	DDGD	
COc1cc(CNC(=O)NNc2ncccn2)c2ccccc2n1	176120508	JAEQABJVSXEXSV-UHFFFAOYSA-N	324.344	1.860	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCO[C@@H]([C@H]2CCCO2)C1	154652106	NDZSEBRDMRJWTO-VXGBXAGGSA-N	311.831	1.215	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCN(C2CCC(C)CC2)CC1	115566341	PVHHHEGINHNGEP-SLTAFYQDSA-N	324.469	1.129	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)CC(=O)NC(C)C	172091143	GWKQYHQHSHNHGH-UHFFFAOYSA-N	314.817	1.335	50	20	DDGD	
C[C@H]1C[C@@H]1C(=O)NNc1nc(Br)cn2ccnc12	176192317	BTJFZKNATBJVRJ-BQBZGAKWSA-N	310.155	1.591	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)CC(C)(C)C)c1nnc2ccccn12	171564567	VWJNTKVGWMODNN-SNVBAGLBSA-N	318.381	1.557	50	20	DDGD	
CCCCc1ccc(CC(=O)NNC(=O)C(=O)NC(C)C)cc1	61088634	BDPGWFDDKCKSRE-UHFFFAOYSA-N	319.405	1.244	50	20	DDGD	
Cc1ccc2c(CC(=O)NNC(=O)[C@@H]3CCCO3)coc2c1C	32257989	XVFNUPFEAUANQW-AWEZNQCLSA-N	316.357	1.919	50	20	DDGD	
C[S@@](=O)c1ccc(NC(=O)NNC(=O)c2ccc[nH]2)cc1	186162315	FQUOKIVVRRTJQF-OAQYLSRUSA-N	306.347	1.219	50	20	DDGD	
CCN(CC)CC(=O)NNc1nnc(-c2ccccn2)s1	188207650	NHGQWRSSJTZOPA-UHFFFAOYSA-N	306.395	1.385	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N[C@H]2CCC[C@H]2CCO)cc1	188473269	UUJBUXAVOZSTKD-JSGCOSHPSA-N	316.361	1.053	50	20	DDGD	
CCOCCC1(C(=O)NNC(=O)NCc2ccco2)CCC1	123549179	DPXSPAKVLXHFLW-UHFFFAOYSA-N	309.366	1.707	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@H]1CCCO1)c1cccc(Cl)c1	76564996	NYAGZHPZWRYPDY-LBPRGKRZSA-N	310.781	1.944	50	20	DDGD	
CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)[C@@H]1CCCO1	32260325	PLIJCDFCHJCZEY-DOMZBBRYSA-N	320.389	1.905	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)N[C@@H]1CCc2[nH]ncc2C1	181537641	CSHZVNFJPAPQCT-SNVBAGLBSA-N	306.757	1.642	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1cc(C)on1	70718600	CHDXYIZUVOUWJL-UHFFFAOYSA-N	303.318	1.385	50	20	DDGD	
COCCc1ccc(S(=O)(=O)NNC(=O)C(C)(C)C)cc1	77708745	VFRKRALASDKKQM-UHFFFAOYSA-N	314.407	1.231	50	20	DDGD	
COCCCCC(=O)NNC(=O)COc1ccc(C)c(C)c1	72048341	CYBHVILRUBVDOR-UHFFFAOYSA-N	308.378	1.646	50	20	DDGD	
C[C@@H](c1ccccn1)N(C)CC(=O)NNC(=O)c1ccccc1	180203900	IAHDFOTWZGMJBI-ZDUSSCGKSA-N	312.373	1.536	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)Nc1ccncc1F	184127305	CXSZCAGZFDLHBN-UHFFFAOYSA-N	306.272	1.755	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Cc2c(C)n[nH]c2C)cc1	193611603	XHIWEMUZUUBVSA-UHFFFAOYSA-N	300.362	1.593	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C[C@H]2CCCCO2)c1	86976386	YSUSIOKUDVJXAN-CQSZACIVSA-N	306.362	1.480	50	20	DDGD	
CN(C)Cc1cccc(C(=O)NNc2nc3ccccn3n2)c1	191899240	YPCFUEYSHLUJEB-UHFFFAOYSA-N	310.361	1.548	50	20	DDGD	
CCn1cc(NC(=O)C(=O)NNc2c(C)cc(C)cc2C)cn1	132222329	AKCZCJBHMFGIRM-UHFFFAOYSA-N	315.377	1.910	50	20	DDGD	
CN(C)C(=O)NNC(=O)CCc1ncc(-c2ccccc2F)o1	194923823	ZRBCMXBIYLTZCR-UHFFFAOYSA-N	320.324	1.716	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NC[C@H](O)c2ccccc2)cc1	144640374	WHYSMKZZPYFTNM-HNNXBMFYSA-N	324.340	1.236	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1	97637190	ISSDAJVAYRRRGS-MRVPVSSYSA-N	318.116	1.550	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1OCC	96950701	HVTFGZDDEZRVMP-UHFFFAOYSA-N	317.345	1.887	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc3c(c2)OCCO3)n1	266892518	FUUQWZBTWDJKAJ-UHFFFAOYSA-N	316.317	1.322	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H]1CCN(c2ccccn2)C1	269963067	QPGYXHCJZPXEFG-LBPRGKRZSA-N	305.382	1.037	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)[C@@H]2CCCS2)cc1	266551905	SDRHTGAQJFCLMA-LBPRGKRZSA-N	324.475	1.966	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CCCCSC)c1O	265798609	HRTMIDFSCLBSGK-UHFFFAOYSA-N	312.391	1.695	50	20	DDGD	
COC(=O)c1cc(OC(=O)C[C@@H]2COC(=O)C2)ccc1[N+](=O)[O-]	269189252	GZKJUJZITFDCAI-MRVPVSSYSA-N	323.257	1.240	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C[S@@](C)=O)c1ccccc1	269448218	BKOIKUKBVPCZOU-NIVAWHHDSA-N	306.387	1.666	50	20	DDGD	
CC[C@H]1CCC[C@@H]1NC(=O)NNC(=O)COc1ccccc1O	268267609	SRGJSDQRAVRLNL-RYUDHWBXSA-N	321.377	1.680	50	20	DDGD	
Cc1ccn2cc(CNC(=O)NNC(=O)CC(C)(C)C)nc2c1	264193649	OZDVDXDFOZASCO-UHFFFAOYSA-N	317.393	1.909	50	20	DDGD	
Cc1ccc(CC(=O)NNc2nc(-c3ccncc3)no2)cn1	363635190	UBUYMPRLZSRTAX-UHFFFAOYSA-N	310.317	1.521	50	20	DDGD	
CSc1cccc(NC(=O)C(=O)NNC(=O)C2CCC2)c1C	274124488	UDZKSOIMATYXGI-UHFFFAOYSA-N	321.402	1.603	50	20	DDGD	
CCC[C@H]1CN(C(=O)/C(C#N)=C/OCC)CCN1CCOC	270951325	LJUQACFEMBDYNM-BUYIWHAFSA-N	309.410	1.390	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1sc(C)cc1Br	274765874	SLLDDHSGZMIANX-UHFFFAOYSA-N	313.198	1.148	50	20	DDGD	
O=C(NNc1nnc(C2CC2)s1)c1cc([N+](=O)[O-])cnc1O	273628715	QBTXNVQLVJTVKV-UHFFFAOYSA-N	322.306	1.181	50	20	DDGD	
CC(=O)N(CCc1ccccc1)CC(=O)NNC(=O)CC(C)C	270525981	SQAXWFLAOJUXOB-UHFFFAOYSA-N	319.405	1.271	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@H]1CC(c2cccnc2)=NO1	276690832	MWMMFXBPDCSWHC-LLVKDONJSA-N	306.322	1.131	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cn(C(C)(C)C)nc2C)n1	279758699	DYQPRTFWHYIDIV-UHFFFAOYSA-N	315.377	1.725	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)c2cnn(C)c2)CCC1	276481191	SBWUEVBFPOPKHQ-UHFFFAOYSA-N	312.373	1.611	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cncc(Br)c1	274463758	XEBJBVOSRGMEEY-UHFFFAOYSA-N	316.159	1.542	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccc(CN2CCOC2=O)cc1	273184539	HTMSDFSUWCTUHZ-UHFFFAOYSA-N	318.333	1.202	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@H]1CCc2[nH]ncc2C1	270143519	RZIUDNACTTUPSH-VIFPVBQESA-N	301.306	1.566	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cncs2)c1C	287737877	FQFXKTCAYNFUGA-LLVKDONJSA-N	319.386	1.988	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNc1nc2ccccc2c(=O)n1C	280037879	ANZLGHCAZMPVBC-OAHLLOKOSA-N	304.350	1.192	50	20	DDGD	
CSSCCNC(=O)c1ccc(S(N)(=O)=O)cc1	284263888	XVORMYMKXIWVCO-UHFFFAOYSA-N	306.434	1.075	50	20	DDGD	
COCCOC1CCC(C(=O)NNc2cccc(OC)n2)CC1	281147930	JVZAHLLWESSUNV-UHFFFAOYSA-N	323.393	1.755	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc2cnn(C(C)C)c2nc1C	285776474	AOZUDPAHZYPYBE-UHFFFAOYSA-N	305.338	1.664	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNC(=O)C(C)(OCC)OCC	290701343	JQFXOEIOTRMOPK-UHFFFAOYSA-N	318.373	1.147	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@@H](C3CC3)C2)c1	808778518	ZEAWEVTXHHDTSU-MRXNPFEDSA-N	315.417	1.878	50	20	DDGD	
COCCCONC(=O)NNC(=O)Nc1ccc(Cl)cc1	298029994	QQLKZBFRMKKLIC-UHFFFAOYSA-N	316.745	1.644	50	20	DDGD	
C=C(CBr)CN1CCC[C@H](c2n[nH]c(=O)o2)C1	295262002	GZFZQIAJNZQIAK-VIFPVBQESA-N	302.172	1.493	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)Sc1cccc(C(N)=O)c1	809988361	CBHKGGYAAJXUNZ-JTQLQIEISA-N	323.418	1.460	50	20	DDGD	
CCOc1cc(/C=C/C(=O)NNC(=O)[C@@H]2CCCO2)ccc1O	293971773	KJJCNSDUUMBALN-CFNZNRNTSA-N	320.345	1.131	50	20	DDGD	
Cc1cccc(CC(=O)NNC(=O)[C@H]2CCCCO2)c1Cl	295657390	VQMGXZFXXJTMQD-GFCCVEGCSA-N	310.781	1.907	50	20	DDGD	
O=C1COc2ccc(NC(=O)NNc3cccc(F)n3)cc2N1	806166493	XPDIGLMXKJWHOR-UHFFFAOYSA-N	317.280	1.700	50	20	DDGD	
COc1ccc2c(c1F)CCC2=NNC(=O)N1CCOCC1	807966310	YBMCXAIFVWKLDU-UHFFFAOYSA-N	307.325	1.526	50	20	DDGD	
C#CCN1CCC(C(=O)NNc2cccc(NC(C)=O)c2)CC1	293845138	FSVAAYNFYAYTQJ-UHFFFAOYSA-N	314.389	1.433	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1ccc2c(c1)CCCO2	292975482	QMNSUUGUDRWUIQ-ZDUSSCGKSA-N	305.334	1.343	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C\c1cc(OC)c(O)c(OC)c1	298608298	JAXUJZIHVKCTNN-CGYDICSFSA-N	320.345	1.467	50	20	DDGD	
CCOc1ncccc1C(=O)NNC(=O)Nc1ccccc1	801989638	XNXOYHIOGFUELG-UHFFFAOYSA-N	300.318	1.947	50	20	DDGD	
C/C=C/COc1cccc(CC(=O)NNC(=O)[C@@H]2CCCO2)c1	295422554	VDVWXZIPAYMERY-FAAWYNLUSA-N	318.373	1.510	50	20	DDGD	
CCc1c(C(=O)NNc2nccc(N(CC)CC)n2)ccn1C	290517797	NJHIQJINWKGMMR-UHFFFAOYSA-N	316.409	1.981	50	20	DDGD	
Cc1cccc(C)c1NCC(=O)NNC(=O)[C@H]1CCCCO1	295341981	IBGZIRALELKPEE-CYBMUJFWSA-N	305.378	1.432	50	20	DDGD	
COc1ccc(NCC(=O)NN=C(C)c2cn(C)c(C)n2)cc1	800805262	TVQTXFJCQJCDEY-UHFFFAOYSA-N	315.377	1.689	50	20	DDGD	
CC[S@@](=O)CC(=O)NNc1ccc(Br)c(C)c1	295029242	IEKBAZANAOVYTD-QGZVFWFLSA-N	319.224	1.969	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H](C)CC(C)(C)O)cc(C#N)n1C	297139791	ICJGGLRWKIYZRD-JBARUQGQSA-N	314.389	1.778	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)C1CCN(CC(F)F)CC1	806536939	LXHHPIYTWIWUKY-UHFFFAOYSA-N	317.258	1.063	50	20	DDGD	
CNc1nc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)cs1	807507457	PCEALUURKNELPR-UHFFFAOYSA-N	315.358	1.783	50	20	DDGD	
CC[S@](=O)CC(=O)NNC(=O)Cc1ccc2ccccc2c1	294786983	HGQPMFNDNKWRMN-QFIPXVFZSA-N	318.398	1.298	50	20	DDGD	
C[C@@H](OC1CCCCCC1)C(=O)NNC(=O)N=c1cc[nH]cc1	802036209	RYJGKFSDUGVNTN-GFCCVEGCSA-N	320.393	1.784	50	20	DDGD	
C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)NNc2ccncn2)C1	296163335	AOUIOYDNHUKCOH-CHWSQXEVSA-N	320.441	1.859	50	20	DDGD	
COc1ccc(-c2cc(C(=O)NNC(=O)CC3CC3)[nH]n2)cc1	298302185	PIDDDWHWMUGLGG-UHFFFAOYSA-N	314.345	1.646	50	20	DDGD	
CC(C)Oc1ncccc1C(=O)NNC(=O)c1ccccc1O	806344564	IJQJLIZVCLBQPD-UHFFFAOYSA-N	315.329	1.649	50	20	DDGD	
COCCOCCCCNC(=O)NNc1cccc(F)n1	805034801	UKLRBYPFZCHXFF-UHFFFAOYSA-N	300.334	1.290	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C(C)(C)C)c([N+](=O)[O-])cc1F	294452840	LFBSHTMCYDCBGB-UHFFFAOYSA-N	313.285	1.550	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2cc[n+]([O-])cc2)c(Cl)c1	802047798	GUCSDCNKMUBVCY-UHFFFAOYSA-N	320.736	1.748	50	20	DDGD	
C[C@](O)(CCc1ccccc1)C(=O)NN=c1cc[nH]cc1Cl	801194492	LQOZCFYRSXYMCG-INIZCTEOSA-N	319.792	1.984	50	20	DDGD	
Cn1c(NNC(=O)[C@@H]2CCCSC2)nc2ccccc2c1=O	810399887	YRHAGPKVKSUHNZ-SNVBAGLBSA-N	318.402	1.520	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@H]1CCN(c2ccccc2F)C1	810584437	RAAXPASCONHMFJ-LBPRGKRZSA-N	320.368	1.392	50	20	DDGD	
CC(=NNC(=O)C(C)(C)C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	811637607	DXKXQWVPDKKPGG-UHFFFAOYSA-N	302.334	1.103	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNc2ncncc2F)cc1O	817079482	SNJAKJUODUECQV-HWKANZROSA-N	304.281	1.486	50	20	DDGD	
COC(=O)c1cc(NNC(=O)Cn2ccccc2=O)ccc1C	816687763	NPRCJYJPPJOJTC-UHFFFAOYSA-N	315.329	1.087	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccnc(N2CCC[C@@H](C)C2)c1	812451376	GXSXMWCDPMFLDJ-GFCCVEGCSA-N	304.394	1.735	50	20	DDGD	
CO[C@@H]1CCC[C@@H](C(=O)NNC(=O)COc2ccccc2F)C1	814364217	WIVHGAYMIJRVEC-VXGBXAGGSA-N	324.352	1.557	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc(CS(C)(=O)=O)o1	728609918	LPHQBYLIHYUTBO-UHFFFAOYSA-N	316.379	1.021	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@](C)(O)C1CCC1)c1ccccc1	813448851	RQZKGQBWIBQBIF-YOEHRIQHSA-N	304.390	1.879	50	20	DDGD	
COc1ccc(NCC(=O)NN=Cc2snnc2C)cc1	814213917	MGOLBVUHCAUCHJ-UHFFFAOYSA-N	305.363	1.417	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@](C)(O)C(C)C)cc(C#N)n1C	490662572	BRRFMSJGECPHCE-ZZZKQGFOSA-N	314.389	1.635	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N(C)[C@@H](C)c1ccccc1F	827314656	IFTUHKHOWMDCQI-GMXVVIOVSA-N	323.368	1.984	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)/C=C/[C@H]1CCOC1)c1ccccc1	493614338	LUTOLPSIWYVBJV-JTMKOSTRSA-N	302.374	1.920	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc2c(c1)nc(O)n2C1CC1	823898160	SRHKJBURJQPNFN-UHFFFAOYSA-N	304.350	1.036	50	20	DDGD	
CCOC(=O)NNC(=O)c1cnc(C(F)(F)F)c(C#N)c1	496237120	YURFCROSDKFXPO-UHFFFAOYSA-N	302.212	1.363	50	20	DDGD	
COc1ccc(NNC(=O)[C@]2(C)C[C@@H]2Br)nc1	907590782	QCBRSOYLFXXRRU-GZMMTYOYSA-N	300.156	1.707	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=C(Cc1ccccc1)C1CC1	729145560	URMFMQANXSQETN-NSHDSACASA-N	323.418	1.049	50	20	DDGD	
O=C(NN=C1C[C@]2(CCOC2)Oc2ccccc21)c1ccnnc1	901256294	ZSZVEVZDAIBPBR-KRWDZBQOSA-N	324.340	1.552	50	20	DDGD	
Cc1cncc(CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)c1	826319766	RKNJQLLIKNENCP-UHFFFAOYSA-N	324.348	1.396	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cn1ccc2ccccc21	823128325	BOPGFZWYWNQSRH-HIFRSBDPSA-N	313.357	1.380	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H](CN1CCCC1)c1ccccc1	823952206	XVVVJFRFYKRIKP-HNNXBMFYSA-N	318.421	1.606	50	20	DDGD	
C[C@]1(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C[C@@H]1Br	906662691	YPHUSCMGSXBHHZ-MDZLAQPJSA-N	312.211	1.359	50	20	DDGD	
Cc1ccccc1C1(C(=O)N2CC[C@@H](B(O)O)C2)CCCC1	585066724	MWVCCDZDFPFVCM-CQSZACIVSA-N	301.195	1.882	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)[C@H](C)c1cccs1	827315050	NDHBUNTXRZKKMU-VWYCJHECSA-N	311.407	1.907	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)C1CCC1)N1C[C@@H](C)O[C@H](C)C1	732142245	SOVLWMPBMRPRQE-BZPMIXESSA-N	311.426	1.068	50	20	DDGD	
CCN(Cc1ccccc1)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	827314666	INPHYYQDSHUNRL-GXTWGEPZSA-N	305.378	1.674	50	20	DDGD	
O=C(C[C@@H]1CC[C@@H]2C[C@@H]12)NNC(=O)c1cccc([N+](=O)[O-])c1	822121681	KEPPBRXBXNHGQZ-GBIKHYSHSA-N	303.318	1.792	50	20	DDGD	
Cc1ccccc1C1=NO[C@H](C(=O)NNC(=O)NC(C)C)C1	906443909	UNJAIIIBZARKLE-ZDUSSCGKSA-N	304.350	1.227	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c(O)c1	826281957	QYAHLZITRBCLRT-UHFFFAOYSA-N	310.317	1.638	50	20	DDGD	
CC(=O)NNC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2	496337138	CSVFOXHXFHWOIG-UHFFFAOYSA-N	319.361	1.718	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)cc1)[C@@H]1OCCc2sccc21	585043526	QLNFNXWXAJZATF-ZBEGNZNMSA-N	317.219	1.220	50	20	DDGD	
COC(=O)N(C)NC(=O)c1nn(-c2ccc(F)cc2)cc1O	495693105	MCSWOGAPUCNZRU-UHFFFAOYSA-N	308.269	1.060	50	20	DDGD	
Cc1ccc(-n2cnnc2)c(C(=O)NNC(=O)OC(C)(C)C)c1	495907863	BXHMHMNHAXVHOV-UHFFFAOYSA-N	317.349	1.745	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@H](C)CN2CCOCC2)c(C)c1	901154545	RUDHMCHCALOFBD-CQSZACIVSA-N	319.405	1.422	50	20	DDGD	
COc1c(C(=O)NNc2ccccc2[N+](=O)[O-])c(C)nn1C	732750669	ZAEVCFZLIFUKRH-UHFFFAOYSA-N	305.294	1.402	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC[C@@H](C)C(C)(C)C)n1	734673641	IBDYSWNFAUEHQW-SNVBAGLBSA-N	309.414	1.513	50	20	DDGD	
Cc1ccc(C)c(C2=NO[C@@H](C(=O)NNC(=O)CC3CC3)C2)c1	908448948	MVKRJTVLQHAYRE-OAHLLOKOSA-N	315.373	1.744	50	20	DDGD	
Cc1nc(-c2cnn(C)c2)sc1C(=O)NNC(=O)CC(C)C	734422565	YSDXQUDDHUARTD-UHFFFAOYSA-N	321.406	1.659	50	20	DDGD	
CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cccc(B(O)O)c2)C1	584956032	ZFDXPOWEMPVEGC-ZIAGYGMSSA-N	307.224	1.113	50	20	DDGD	
OB(O)c1cccc(CNc2ccc(F)cc2OCC2CC2)c1	585012285	SMFIGFWCPFJZTJ-UHFFFAOYSA-N	315.153	1.906	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@H](C)Cc1cnn(C)c1	837474272	LHTRWBLHHPLKLG-CYBMUJFWSA-N	314.389	1.297	50	20	DDGD	
CS[C@@H]1CC[C@@H](NC(=O)NNC(=O)[C@H]2CCCCO2)C1	836329846	SAWHVSSEMFOOKL-GMTAPVOTSA-N	301.412	1.170	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccnc(F)c2)[C@H]2CCCC[C@@H]2N1	831919251	XGWXXMXDOVTDPK-WOPDTQHZSA-N	306.341	1.359	50	20	DDGD	
O=C(CNC(=O)c1ccncc1)NNc1c(F)cccc1F	735698104	KCBUIQXPONOYAX-UHFFFAOYSA-N	306.272	1.233	50	20	DDGD	
COC(=O)NCCCC(=O)NN=c1sc2ccccc2n1C	730738518	WYWUXZGXNNGTAT-UHFFFAOYSA-N	322.390	1.308	50	20	DDGD	
O=C(CN[C@@H](c1ccccc1)C(F)(F)F)NNC(=O)C1CC1	733194888	UNNGHEMOFWOGOT-LBPRGKRZSA-N	315.295	1.437	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)C[C@H]1CCC(=O)NC1	836781820	VIVHURYQPLFOOP-GFCCVEGCSA-N	312.373	1.903	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cnc(-c2ccccc2)[nH]1	736672347	IPSKGDQJLVTQSK-UHFFFAOYSA-N	312.251	1.790	50	20	DDGD	
COc1cc(C)ccc1C=NNC(=O)[C@@H](C)CN1CCOCC1	834931949	BFYCKRHXVONJRD-AWEZNQCLSA-N	319.405	1.422	50	20	DDGD	
CN1CCc2cc(C(=O)NNC(=O)[C@@H]3CCCCO3)ccc21	833241454	ATFKFXYVNMAHNP-AWEZNQCLSA-N	303.362	1.009	50	20	DDGD	
CC[C@H](C)n1ncc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1C	831722407	YMPQMPLTDKNWNP-DLOVCJGASA-N	323.397	1.740	50	20	DDGD	
C[C@H]1CC[C@@]2(CCN(C(=O)c3ccc(B(O)O)c(F)c3)C2)C1	584974570	WEKICIYJPITKQW-MEDUHNTESA-N	305.158	1.158	50	20	DDGD	
O=C(CCc1ccco1)NNC(=O)NCc1ccc(C(=O)O)o1	739259713	WJIZZWHTOWLVNU-UHFFFAOYSA-N	321.289	1.034	50	20	DDGD	
CCC[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)c1cccs1	584934987	VVURIAWGZQTGNM-CYBMUJFWSA-N	321.182	1.838	50	20	DDGD	
C[C@@H]1CC[C@@H](CNC(=O)NNC(=O)c2cc3c(s2)CCC3)O1	838742135	ONRBLAFYILVHBP-KOLCDFICSA-N	323.418	1.748	50	20	DDGD	
Cn1c(=NNC(=O)NO[C@H]2CCCCO2)sc2ccccc21	588513868	FZHBEJVHKLEVFF-LBPRGKRZSA-N	322.390	1.813	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1ncon1)Cc1ccc(Cl)cc1	832825939	MIVCEWODZQQVHZ-VIFPVBQESA-N	322.752	1.753	50	20	DDGD	
Cn1c(CC(=O)NN=Cc2cccc(O)c2O)nc2ccccc21	916313200	GUJAFSKBRLCUTN-UHFFFAOYSA-N	324.340	1.677	50	20	DDGD	
Cc1cnnn1-c1ccc(NC(=O)NNC(=O)CC(C)C)cc1	831993241	RMLTXVDOYRTHPV-UHFFFAOYSA-N	316.365	1.775	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)c2ccc3c(c2)OCO3)o1	746092569	XCKPWYRADLBVHA-UHFFFAOYSA-N	303.274	1.095	50	20	DDGD	
Cc1noc(C)c1[C@H](C)C(=O)NNC(=O)Cc1ccncc1	747322748	KXBOMVSXDGSDLU-VIFPVBQESA-N	302.334	1.180	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1cccnc1N1CCC(O)CC1	913208316	KGNYIRSXWZDNID-QXMHVHEDSA-N	316.361	1.425	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(N=c2cc[nH]cc2)cc1	910166624	CIRZDLKZIJNCAH-LBPRGKRZSA-N	300.362	1.205	50	20	DDGD	
N#Cc1cccc(NNC(=O)C[C@H](NC(N)=O)c2ccccc2)c1	748031368	UORMGNHNCXTJNF-HNNXBMFYSA-N	323.356	1.801	50	20	DDGD	
Cc1cc(C)cc(NC(=S)NNC(=O)N2CCOCC2)c1	745729887	KGHRULJRGGUJQE-UHFFFAOYSA-N	308.407	1.547	50	20	DDGD	
C[C@H]1CCN[C@H](C(=O)NNc2ncc(Br)cn2)C1	848436022	CXGBAUAZVGIWBN-CBAPKCEASA-N	314.187	1.070	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1	910184303	OXWWVCXHVVFVBY-KWQFWETISA-N	306.284	1.083	50	20	DDGD	
CC1(C)CC[C@@H]1NCC(=O)NNC(=O)c1cccc(C#N)c1	846961503	SNLWRIUYTJEGEE-ZDUSSCGKSA-N	300.362	1.097	50	20	DDGD	
COCCN1C[C@H](C(=O)Oc2ccc([N+](=O)[O-])c(C)c2)CC1=O	914466458	DACQKJQZZRTMBS-LLVKDONJSA-N	322.317	1.304	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1ccc(OC(F)(F)F)cc1	847600656	WAPQYDNACHSLRR-NXEZZACHSA-N	317.267	1.540	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C[C@H]2CCCCO2)cc1	846374127	KCFONYHPVYIOHE-CQSZACIVSA-N	306.362	1.804	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)CC(F)(F)F)c1	918363707	DETOLJNVPVLNAY-SECBINFHSA-N	304.268	1.862	50	20	DDGD	
C[C@]1(c2ccccc2)C[C@@H]1NC(=O)NNC(=O)Cc1ccncc1	747508359	GXBFXHHUNPDZBW-MAUKXSAKSA-N	324.384	1.685	50	20	DDGD	
COc1cc(Br)c(C=NNC(C)=O)cc1OC	916267226	BXKVFRRNQBCHDK-UHFFFAOYSA-N	301.140	1.936	50	20	DDGD	
Cc1ccc(C=NNC(=O)c2cccc(S(C)(=O)=O)c2)o1	915052359	RHGBLMRRZXADIS-UHFFFAOYSA-N	306.343	1.755	50	20	DDGD	
Nc1ccc(C(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)cc1	916263563	KGSLHQHXKRRFAC-UHFFFAOYSA-N	300.274	1.647	50	20	DDGD	
C[C@H](C(=O)N(C)CC(=O)N(C)CC(Cl)Cl)n1cccn1	848081366	VCRCSIBMPVTUQI-SECBINFHSA-N	321.208	1.165	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@@H]1CCc2c(O)cccc21	745865750	QIFOZRVCQNQPTH-LLVKDONJSA-N	300.318	1.352	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2CCO[C@H]2C)cc1F	843278214	YMEPUJNUBGJVBS-ONGXEEELSA-N	311.382	1.877	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccc([S@@](C)=O)cc1	842552003	GVDKIXDJQRYUQD-HQHPYACNSA-N	308.403	1.689	50	20	DDGD	
COC[C@@H](Cc1ccccc1)NC(=O)NNc1ccccn1	746780628	OETPAKKNNQLHCE-CQSZACIVSA-N	300.362	1.965	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cc(C(F)F)[nH]n1)C1CC1	912161764	UJCBATSKKKYGSR-RXMQYKEDSA-N	303.338	1.255	50	20	DDGD	
COc1cccc(SC)c1NC(=O)NNC(=O)CN(C)C	841826576	GENFYTTXNJRRIO-UHFFFAOYSA-N	312.395	1.131	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@H]1CCc2ccccc2C1	844414892	JDTXVVYXTUBNSX-INIZCTEOSA-N	309.369	1.577	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NNC(=O)Nc1ccc2c(c1)OCO2	742026283	MVRZOZHLFNNMEO-CLFYSBASSA-N	318.289	1.012	50	20	DDGD	
O=C(CNC(=O)c1ccncc1)NNc1cc(F)c(F)c(F)c1	746704693	GDDNMQIMZUVRNV-UHFFFAOYSA-N	324.262	1.372	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1[C@H]2CC[C@H]1CC(=O)NC2	748566847	HUVWBXCQRDRIMU-RYUDHWBXSA-N	324.812	1.232	50	20	DDGD	
Cc1nc(O)[nH]c1C(=O)NNC(=O)CCCc1ccccc1	847433026	VVBJMJPNOGWCDH-UHFFFAOYSA-N	302.334	1.208	50	20	DDGD	
N#C/C=C\Cn1nnc([C@@H]2CN(Cc3ccccc3)CCO2)n1	840196627	SJVULSWJPBAFCS-XVWMLYKFSA-N	310.361	1.326	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)[C@H]1COc2ccccc2O1)C1CC1	920053107	CQBCSMODXLVMON-QMTHXVAHSA-N	319.361	1.203	50	20	DDGD	
Cc1nnccc1C(=O)NNC(=O)c1cccc(OC(F)F)c1	753137936	QULHJBBNCIBIHD-UHFFFAOYSA-N	322.271	1.461	50	20	DDGD	
C[C@@H](C[S@](C)=O)NC(=O)NNc1ccc(F)cc1Cl	921922783	AJCAQOKGCPSNKL-IIYDVTGLSA-N	307.778	1.872	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cc1ccc2n[nH]cc2c1)C1CC1	855097663	VRRVIDXOKWNYSQ-VIFPVBQESA-N	317.418	1.399	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)[C@@]1(O)CCSC1	855622851	NYSJSEDBXMJXEN-LLVKDONJSA-N	301.299	1.045	50	20	DDGD	
CN(C)c1noc(CCC(=O)NNc2ccnc(Cl)c2)n1	855465029	DPOTUUUUAAYWQR-UHFFFAOYSA-N	310.745	1.260	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(Cl)cn2)nc1	759729933	OKAABUAPBUGTLM-UHFFFAOYSA-N	306.709	1.674	50	20	DDGD	
CNC(=O)NN=Cc1cc(Br)c(O)c(OC)c1	920378971	JRNDCOCMYTVMEA-UHFFFAOYSA-N	302.128	1.426	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCc2cscn2)c1	858706251	PIWABTQXKOQLAX-UHFFFAOYSA-N	310.404	1.700	50	20	DDGD	
CC[C@@H]1CC(=NNC(=O)c2ccc(-n3cnnn3)cc2)CCO1	756823129	FEUUNKFGOSZUDM-CQSZACIVSA-N	314.349	1.337	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H](C)CN(C)C(C)C)c1	858468669	IMTSBGDOYXBVHP-LLVKDONJSA-N	312.439	1.729	50	20	DDGD	
COCc1nn(C)cc1C(=O)NNc1nccnc1C(C)C	857496807	VDTXBWYNCWSXDH-UHFFFAOYSA-N	304.354	1.237	50	20	DDGD	
CC[C@@H]1COCC1=NNC(=O)c1nn(-c2ccccc2)cc1O	853277497	QWTQKAJAUGDDBI-LLVKDONJSA-N	314.345	1.720	50	20	DDGD	
O=C(NCCOc1ccccc1Cl)NNc1cccnn1	752236882	LEAFILNGIHXHJN-UHFFFAOYSA-N	307.741	1.835	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1)c1ccoc1	755885761	GXTDQZUENGVIOZ-AGIUHOORSA-N	307.394	1.865	50	20	DDGD	
Cc1ncc(/C=C\C(=O)NNC(=O)OCC(F)(F)F)s1	856023571	OIWJBTKFDOSMDF-IHWYPQMZSA-N	309.269	1.784	50	20	DDGD	
CNC(=S)N(C)NC(=O)COc1ccc(C(F)(F)F)cc1	854925803	MVVYTPAGUWBHTJ-UHFFFAOYSA-N	321.324	1.552	50	20	DDGD	
COc1ccc(OC)c(NC(=O)NNC(=O)c2ccc[nH]2)c1	755390113	VCOOCGHUGYJVNZ-UHFFFAOYSA-N	304.306	1.498	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2cc(C(N)=O)cs2)cs1	755888334	PBMUFSOUKXUSEO-UHFFFAOYSA-N	308.388	1.305	50	20	DDGD	
CO[C@H](C)CCC(=O)NNC(=S)NCCc1cccs1	753016750	QRXQPEDKJGGXLT-SNVBAGLBSA-N	315.464	1.601	50	20	DDGD	
Cn1nncc1C=NNC(=O)CCSc1ccc(F)cc1	751135134	SLTAJIYYAIFWCY-UHFFFAOYSA-N	307.354	1.587	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCc2c(C)n[nH]c2C)nc1	759729405	KIELYUNLVWENIP-UHFFFAOYSA-N	317.349	1.284	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)/C=C\SC	751570283	HOMAUVXADWOJBL-WAYWQWQTSA-N	300.767	1.986	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC(C)(C)[C@@H]1c1cccnc1	854041797	RCJSPRQGWSKAJJ-AWEZNQCLSA-N	304.394	1.268	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1nccc2occc12)C1CC1	855096602	YSFUOHOBGPRCAL-QMMMGPOBSA-N	304.375	1.735	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1conc1C(F)(F)F)C1CC1	855096749	DDZOORDEVDJUKR-RXMQYKEDSA-N	322.312	1.601	50	20	DDGD	
O=C(NC[C@H]1C[C@H]2C=C[C@H]1CC2)NNC(=O)c1cccc(F)n1	852384447	CSDOZFAICNBESO-SDDRHHMPSA-N	318.352	1.767	50	20	DDGD	
Cc1noc(CN(C)C(=O)NC[C@@]2(C)C[C@@H]2Br)n1	856960025	LERDJSJRTHYZDI-GZMMTYOYSA-N	317.187	1.693	50	20	DDGD	
O=C(NCCOCC(F)(F)F)NNc1ncc(Cl)cn1	856835366	QTXUODKJDGQVMI-UHFFFAOYSA-N	313.667	1.335	50	20	DDGD	
COC(=O)N(C)NC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F	854409759	LNAUKDQXYBKPHX-UHFFFAOYSA-N	303.221	1.524	50	20	DDGD	
O=C(CC(C1CCC1)C1CCC1)NNC(=O)N1CCOCC1	858906538	VYDNBTKQCQKCIA-UHFFFAOYSA-N	309.410	1.666	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2CCn3ccnc3C2)cc1F	854006549	ILRCOYVUPHCOMW-NSHDSACASA-N	303.341	1.972	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cnn(C)c1C(F)F)C1CC1	855101834	YWXGXCADBCTOJL-ZCFIWIBFSA-N	317.365	1.265	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2cc(C(N)=O)cs2)c(O)c1	755890721	PMLAJGMAZFJXSQ-UHFFFAOYSA-N	303.343	1.625	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C1CC2(CC2)C1	854193960	NTQJSJVRCBQNMC-UHFFFAOYSA-N	318.373	1.802	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)C(=O)c1ccc(Cl)s1	758016982	ZCQYZUKTIYKKDF-UHFFFAOYSA-N	300.767	1.922	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)CCc2ccccc2O)[C@H]1C	863865861	CMLQUUFRYZQVAH-PVTKRXDGSA-N	320.389	1.532	50	20	DDGD	
CCOC[C@H]1CN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CCO1	862959427	RLWOGPKNNRAWLN-IHWMJMDHSA-N	318.348	1.997	50	20	DDGD	
C[C@H](NNC(=O)c1cnn(C)c1Br)C(F)(F)F	862317539	ZGECXDNCAWTTMF-BYPYZUCNSA-N	315.093	1.368	50	20	DDGD	
Cc1cc(NNC(=O)c2cnc([C@H]3CCCO3)s2)ncn1	760569221	ZHIGKECVZZCDSR-SECBINFHSA-N	305.363	1.850	50	20	DDGD	
CS[C@H](C)CC(=O)OCC(=O)NNC(=O)c1ccccc1	766923471	YVPPAWIQKIVXKJ-SNVBAGLBSA-N	310.375	1.132	50	20	DDGD	
O=C1NCCC[C@H]1C(=O)NNc1ncc(Cl)cc1Cl	867493877	QOCFARZJLXWRJI-SSDOTTSWSA-N	303.149	1.358	50	20	DDGD	
CCCC1(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)CC1	760986507	CCMZEVAILRRYME-CHWSQXEVSA-N	311.426	1.213	50	20	DDGD	
Cn1nnc2c1C[C@H](C(=O)NNc1cccc(F)c1Cl)CC2	862508728	XKVUIMOSPLTVBP-MRVPVSSYSA-N	323.759	1.856	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1coc(C2CCC2)n1	767947983	OQLLDGBYBKGCCR-UHFFFAOYSA-N	322.365	1.008	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)c2ccccc2OC)c1C	865653788	ZIUYRVJJHGWJOU-UHFFFAOYSA-N	302.334	1.295	50	20	DDGD	
C[C@@H](NNC(=O)CNC(=O)c1cccc(Cl)c1)C(F)(F)F	862304124	ILQIUBHZRFAJJQ-SSDOTTSWSA-N	323.702	1.641	50	20	DDGD	
C[C@H](NNC(=O)c1ccc(-c2ncn(C)n2)cc1)C(F)(F)F	862315880	GSOZNQZPIMIVGY-QMMMGPOBSA-N	313.283	1.667	50	20	DDGD	
O=C(NCc1cc2c(nc1O)CCCC2)NNc1ccccn1	869218999	PTTUUAUVMFURKQ-UHFFFAOYSA-N	313.361	1.887	50	20	DDGD	
Nc1ncccc1C=NNC(=O)c1nnc(-c2ccccc2)o1	764682949	PIYFKWBTCGZZFO-UHFFFAOYSA-N	308.301	1.478	50	20	DDGD	
CC(=O)Nc1ccc(C(C)=NNC(=O)C2CCOCC2)cc1	1119302373	DFLWKOWTIAXDBE-UHFFFAOYSA-N	303.362	1.912	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OC[C@@H]1CC2(CC2)C(=O)O1	763195561	LQGBQXHTZURBAY-GMMCIKNFSA-N	313.309	1.938	50	20	DDGD	
COc1nccnc1NNC(=O)CSCc1ccccn1	764465255	LDFOZHKKDGFPEP-UHFFFAOYSA-N	305.363	1.257	50	20	DDGD	
COCCOC1CCC(C(=O)NNc2ccc(F)cn2)CC1	874648290	KUUQBSVIZFRZIE-UHFFFAOYSA-N	311.357	1.886	50	20	DDGD	
Cc1ccccc1[C@@H](NCC(=O)NNC(=O)C1CC1)C1CC1	1116474548	FOJGUEAAKBHRIV-INIZCTEOSA-N	301.390	1.593	50	20	DDGD	
Cc1cc(=NNC(=O)NCC(C)(C)N2CCCCC2)cc[nH]1	875001652	QVQQPBHRBQAOTE-UHFFFAOYSA-N	305.426	1.703	50	20	DDGD	
COC(=O)c1ccnc(NC(=O)NNC(=O)c2ccc(C)o2)c1	770696673	XGSYJHFTGXTIGF-UHFFFAOYSA-N	318.289	1.236	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccc2nsnc2c1	776707952	CEKRPIRVELWBDQ-UHFFFAOYSA-N	313.342	1.090	50	20	DDGD	
Cc1nn(C)c2ncc(NC(=O)NNc3ncc(F)cn3)cc12	775499201	PPWXWKVLRIBMFB-UHFFFAOYSA-N	316.300	1.354	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H](CC)N(C)C)c1	874949800	DYFJRKNQFJUMDU-CYBMUJFWSA-N	304.419	1.326	50	20	DDGD	
C=CC(C)(C)CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	877941469	HAWCNDRDTXOFMP-ZDUSSCGKSA-N	304.346	1.576	50	20	DDGD	
COC(=O)C(=O)NN=Cc1sc(N2CCCC2)nc1Cl	1116189778	YRDFIZDHSSCVRC-UHFFFAOYSA-N	316.770	1.020	50	20	DDGD	
CCCCNC(=O)NNC(=O)CC1CCN(CC(F)F)CC1	874192900	AEECFMRWKBWWQQ-UHFFFAOYSA-N	320.384	1.484	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@@H](CC)c1ccc(OC)cc1	774814137	JUXGUZKXQBHJRK-FZMZJTMJSA-N	307.394	1.682	50	20	DDGD	
Cc1nc2ccccc2n1CCC(=O)NNC(=O)C1CCC1	772949740	WKXZTHJMZPILQB-UHFFFAOYSA-N	300.362	1.682	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C#Cc1ccccc1	771922425	PUZZXTQRTHBEKM-CYBMUJFWSA-N	316.357	1.163	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NNc1ccc(F)c(F)c1	885110403	BDIGPBFRJLYBHM-KOLCDFICSA-N	300.305	1.992	50	20	DDGD	
C[C@@H]1CCN(Cc2ccccc2)CC1=NNC(=O)CN(C)C	776181725	ZLOIAGBISRNKGV-CQSZACIVSA-N	302.422	1.562	50	20	DDGD	
COCCn1nc(C)c(NC(=O)NNc2ncc(F)cn2)c1C	775709539	QVNKRNBNWGUJDX-UHFFFAOYSA-N	323.332	1.224	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc(OC(F)F)cn2)n1	772134660	WFJHMVIBXDIUEZ-UHFFFAOYSA-N	311.248	1.239	50	20	DDGD	
Cn1ccnc1[C@H]1CCCN(S(=O)(=O)CCCCl)C1	882132393	CERTUDRDPXORBD-NSHDSACASA-N	305.831	1.558	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)C2CCOCC2)c(C)c1	882805976	DYWNBZJENQNMCT-UHFFFAOYSA-N	312.391	1.040	50	20	DDGD	
COC(=O)CSCCC(=O)NNc1cc(F)ccc1F	885144653	HXISOWOOHJUUCA-UHFFFAOYSA-N	304.318	1.704	50	20	DDGD	
O=C(NCCN1CCc2ccccc21)NNc1cccc(F)n1	1122115954	OSSRKZYQAOFMMC-UHFFFAOYSA-N	315.352	1.910	50	20	DDGD	
O=C(NC[C@H]1CC2(CCNCC2)CO1)NNc1ccccc1	892774787	AYJWUYUNYYDBSL-CQSZACIVSA-N	304.394	1.471	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H](C)CN2CCOCC2)cc(Cl)n1	788703240	ZWVRRRFVXKFSGV-NSHDSACASA-N	324.812	1.462	50	20	DDGD	
CCNC(=O)NNC(=O)c1nn(-c2ccc(Cl)cc2)cc1O	789909979	WECGAZYZIJQIDW-UHFFFAOYSA-N	323.740	1.195	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNc1ncncc1Cl	781829979	OMOPVSMZRFDPKO-UHFFFAOYSA-N	300.746	1.553	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2c(C)ccn2C)cc1OC	784291077	RUCMNJFDMXQSJC-UHFFFAOYSA-N	317.345	1.426	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NNC(=S)NC(C)(C)C	899995022	DYTPRJDNHPQGCR-AXFHLTTASA-N	300.472	1.542	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1ccc(C(=O)OC)c(C)c1	899339711	TZWIBIAOFYSJTI-UKTHLTGXSA-N	302.330	1.451	50	20	DDGD	
CC[C@@H](C)CC[C@@H](O)CC(=O)NNC(=O)NCC(F)(F)F	798314699	XEZFVNAQTYILQX-RKDXNWHRSA-N	313.320	1.456	50	20	DDGD	
O=C(CSCc1cccnc1)NNC(=O)NCC(F)(F)F	798315971	GNJHIHVHOXSKSW-UHFFFAOYSA-N	322.312	1.208	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CCOC[C@@H]1CCCO1	798311046	CHRPLJOVYBBCMS-ZDUSSCGKSA-N	321.377	1.733	50	20	DDGD	
CCOc1ccc([N+](=O)[O-])cc1NC(=O)NN=c1cc[nH]cc1	799234537	FEFJSHOKFMOBMC-UHFFFAOYSA-N	317.305	1.959	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)c1ccc(F)c2ccccc12	797702260	WTNHOQLVONDBSW-UHFFFAOYSA-N	317.320	1.265	50	20	DDGD	
COc1ccc(C=NNC(=O)CCO)cc1OCCC(C)C	1319068977	SHKTXWOCMFFVBM-UHFFFAOYSA-N	308.378	1.953	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccnc(Oc2ccccc2)c1	1325503543	KGOKLGYJYMRDGU-UHFFFAOYSA-N	316.317	1.409	50	20	DDGD	
CCC(=O)c1cccc(NC(=O)C(=O)NNc2cccnn2)c1	1320580123	OGQQLVKWGUVGBG-UHFFFAOYSA-N	313.317	1.151	50	20	DDGD	
COc1cccc(C[C@H](O)C(=O)NNc2cccc(F)c2)c1	1326117049	MRJBATLDBYZTLN-HNNXBMFYSA-N	304.321	1.881	50	20	DDGD	
CC1CCN(CCC(=O)NN=C2CCCn3ccnc32)CC1	1327132408	ZSINIXLFGRKZNB-UHFFFAOYSA-N	303.410	1.619	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)c1ccc2nonc2c1	1325025431	BHSWRBRZLJDWSS-UHFFFAOYSA-N	300.249	1.437	50	20	DDGD	
C[C@H]1C(=NNC(=O)C[n+]2ccccc2)CC[C@H](C(=O)O)C1(C)C	1324914909	VEIIFKGBQZLZAV-QWHCGFSZSA-O	318.397	1.603	50	20	DDGD	
O=C(NN=Cc1ccc(CO)o1)c1cncn1-c1ccccc1	1323085045	HTQYDDONPDZCDX-UHFFFAOYSA-N	310.313	1.722	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccccc1Cl)c1ncnn1C	1255648000	BIDOEJZPXSLBCK-QMMMGPOBSA-N	322.756	1.174	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C[C@H](OC)C(F)(F)F)cc1	1332523356	OIRGMMZZVULGHW-JTQLQIEISA-N	320.267	1.424	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2oc(S)nc2c1	1334453143	FMCVTVRRYGXXLU-CBAPKCEASA-N	321.358	1.303	50	20	DDGD	
C[C@H](C1CC1)N(C)C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1331095447	BQEQNZHABVNTFN-DFAYQTQMSA-N	317.227	1.533	50	20	DDGD	
COC(=O)C1(C(=O)NNc2cncc(Br)c2)CC1	1338072572	QRQWPQMQNILYQI-UHFFFAOYSA-N	314.139	1.240	50	20	DDGD	
C=CCCCNC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1331076604	FLYCGIBHXTVJGH-CABZTGNLSA-N	303.200	1.359	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@@H](CCN)C2)C[C@@H]1Br	1346513306	MYYJXBRMBYXVMA-JFGNBEQYSA-N	304.232	1.540	50	20	DDGD	
COc1ccccc1C1(C(=O)N2CC[C@@H](B(O)O)C2)CCC1	1261844725	YQFHHZVHIWORRD-GFCCVEGCSA-N	303.167	1.192	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1nnc(O)c2ccccc12	1343603092	QDGWYZMUAFIJDQ-UHFFFAOYSA-N	321.300	1.135	50	20	DDGD	
C[C@]1(CNC(=O)c2cnn3c2NCCC3)C[C@@H]1Br	1352453181	XRHWHKHNYWAVTN-JOYOIKCWSA-N	313.199	1.602	50	20	DDGD	
C[C@H]1CN2CCN1C[C@H]2C(=O)NNc1ccc(F)cc1Cl	1353039994	USGATSOLBMWHLU-ZANVPECISA-N	312.776	1.311	50	20	DDGD	
Cc1c(NNC(=O)c2cnc3[nH]ncc3c2)cccc1C(=O)O	1600054727	DXJQYWNTNRPJFN-UHFFFAOYSA-N	311.301	1.721	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N(CC(=O)O)C2CCCC2)cn1	1600946450	NBWMWFIMLLSQJF-SDQBBNPISA-N	302.334	1.183	50	20	DDGD	
O=C(O)C12CCC(C(=O)NNc3ncc(Cl)cn3)(CC1)C2	1601731197	ZUTSXHJARZBMGQ-UHFFFAOYSA-N	310.741	1.608	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)O)CCC1)c1ccc2ccccc2n1	1605814709	PEQXUCJBBJECOH-UHFFFAOYSA-N	313.313	1.251	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(-c2nn[nH]n2)cn1)C(F)(F)F	1603043668	ACKMVPKSLSTWMB-UHFFFAOYSA-N	315.259	1.293	50	20	DDGD	
Cn1cc(Cl)c(CNC(=O)NNc2cccc(C(=O)O)c2)n1	1608113226	BCUYSEPZYKHFSP-UHFFFAOYSA-N	323.740	1.598	50	20	DDGD	
O=C(O)[C@H]1C[C@@H](C(=O)NNc2cccc3c2OC(F)(F)O3)C1	1608821841	LBLZNKFPZQRMMK-KNVOCYPGSA-N	314.244	1.562	50	20	DDGD	
Cn1cc(C(=O)NN=C(CCC(=O)O)Cc2ccccc2)nn1	1605481012	CIDFMNZSAGPKRF-UHFFFAOYSA-N	315.333	1.008	50	20	DDGD	
Cc1ccnc(O)c1C(=O)NNc1ccc(C(=O)O)c(F)c1	1600600698	RBDUAUHSQPOXDA-UHFFFAOYSA-N	305.265	1.690	50	20	DDGD	
COC(C)(C)CC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1604996398	YFSRJVGUJSKWCQ-UHFFFAOYSA-N	323.357	1.236	50	20	DDGD	
O=C(O)c1cnc(C(=O)NNc2cc(Cl)ccc2F)cn1	1602509195	VPHBUPCOBRLGRW-UHFFFAOYSA-N	310.672	1.724	50	20	DDGD	
Cc1cc(CC(=O)N(c2nc(CC(=O)O)cs2)N(C)C)no1	1607633087	DLCDWISNUNZQBJ-UHFFFAOYSA-N	324.362	1.119	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ncoc2[C@H]2CCCO2)nc1	1608905252	KPXNQCMXKBOINY-SECBINFHSA-N	318.289	1.376	50	20	DDGD	
CO[C@H](C(=O)O)C(=O)NNc1ccccc1OC(F)(F)F	1604435082	QYHSQDVBOWLJGL-QMMMGPOBSA-N	308.212	1.128	50	20	DDGD	
Cc1c(CCC(=O)NNc2cccc(F)c2C(=O)O)cnn1C	1600011627	OLGOZSBNJRNONE-UHFFFAOYSA-N	320.324	1.642	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H](C(=O)O)C(C)C)cc1C	1603814107	COXQGGFCXATUKR-ZDUSSCGKSA-N	322.361	1.972	50	20	DDGD	
O=C(O)CNC(=O)NNC(=S)Nc1ccc(F)c(Cl)c1	1610782824	CRCLYEWYXWTFSS-UHFFFAOYSA-N	320.733	1.064	50	20	DDGD	
C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)Br	1801966002	BONGKZMJMVSBCS-MMWGEVLESA-N	313.195	1.041	50	20	DDGD	
O=C(NN=C1CCc2c(O)cccc21)[C@H]1CN2CCC[C@H]2CO1	1549316477	GQVBFYYXQRQOGG-MEDUHNTESA-N	315.373	1.022	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1csc(C)c1	1549316199	RSEQBQOUBKZNQH-ZIAGYGMSSA-N	307.419	1.760	50	20	DDGD	
CC(C)(C)[C@@H]1CC(=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)CCO1	1549903918	DLJPZANGWXDCNB-ZNMIVQPWSA-N	323.437	1.547	50	20	DDGD	
CS(=O)(=O)SCCNC(=O)[C@H](CN)C1CCCCCC1	1579349168	VJGLNCPEUFTWGB-GFCCVEGCSA-N	322.496	1.341	50	20	DDGD	
CCC(CC)(C(=O)O)C(=O)NNC(=O)c1ccc(Cl)cc1	1573785362	QXLZRKBUHLQOGD-UHFFFAOYSA-N	312.753	1.992	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)[C@@]1(C(F)(F)F)CCNC1	1580739762	NAAPGWXEKCTXBF-SNVBAGLBSA-N	308.691	1.720	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)[C@@H]1NCC[C@@H]2CCCC[C@H]21	1580740089	VTWRQHBHXWWGMC-OPQQBVKSSA-N	309.801	1.741	50	20	DDGD	
O=C(Cc1ccc(C2CCC2)cc1)NNC(=O)C1CCNCC1	1580569841	QVXMQRWRINENAN-UHFFFAOYSA-N	315.417	1.644	50	20	DDGD	
O=C(NNC(=O)[C@H]1NCC12CCCC2)c1ccc(Cl)nc1	1580735756	DPYJYOBURCRUAT-LLVKDONJSA-N	308.769	1.028	50	20	DDGD	
O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1=CCCCC1	1593157972	AXFFKUZCOFOAHS-UHFFFAOYSA-N	312.333	1.128	50	20	DDGD	
CC1(C)OC[C@@H]2C[C@@]21C(=O)NNc1ccc(C(=O)O)cc1F	1593977196	MRACKKPDDSWKHS-VFZGTOFNSA-N	308.309	1.782	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(C(=O)O)c(F)c2)nn1C	1597431146	JLFXPJSMWFBBMO-UHFFFAOYSA-N	306.297	1.577	50	20	DDGD	
C[C@H]1C[C@@H](C)C[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cn2)C1	1590186623	FICCIVWASSKQIW-IAZYJMLFSA-N	315.381	1.777	50	20	DDGD	
CC(C)OCCCNC(=O)/C(C#N)=C/c1cc(C(=O)O)n(C)c1	1591722683	IZBFATKPHXUCBQ-NTUHNPAUSA-N	319.361	1.562	50	20	DDGD	
C[C@@H](CC(=O)O)NS(=O)(=O)c1ccc(CCCl)cc1	1599834344	SNGIIFOSYJHMAW-VIFPVBQESA-N	305.783	1.609	50	20	DDGD	
O=C(Cc1cn2ccsc2n1)NN=Cc1cc(C(=O)O)co1	1776020095	NPSOEAGSDCXRLV-UHFFFAOYSA-N	318.314	1.380	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)CCc2ccccc2)n1	15462363	XGDAHGRQYKUCCP-UHFFFAOYSA-N	300.362	1.280	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)c1cc2occc2[nH]1	151247049	TZYADXBUCRBGSY-UHFFFAOYSA-N	323.312	1.792	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CCC[C@](C)(O)C2)cc(C#N)n1C	152547887	QZJRKZHKTAQOPG-ROOCWEIGSA-N	312.373	1.486	50	20	DDGD	
Cc1cccc2nc(C(=O)NNc3ncccc3[N+](=O)[O-])cn12	153345463	BQUOUSVPCILXQP-UHFFFAOYSA-N	312.289	1.703	50	20	DDGD	
N#CCC(=O)NNC(=O)COc1ccccc1-c1ccccc1	153476709	MFUVXLPVWWUNCM-UHFFFAOYSA-N	309.325	1.793	50	20	DDGD	
CCCCS(=O)(=O)NCC(=O)NNc1cc(C)ccc1C	155273368	GTNLDOXOPJVWAK-UHFFFAOYSA-N	313.423	1.466	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12	154225841	YWPGCCBVWLRRFF-UHFFFAOYSA-N	318.333	1.812	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1ccn(C2CCCC2)n1	159570158	QFHJCGKDIWLGAM-UHFFFAOYSA-N	314.345	1.779	50	20	DDGD	
C[C@@H](Cl)C(=O)N[C@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C	1887504306	ONJQLDVKCFQZBK-RNFRBKRXSA-N	312.761	1.685	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc(CNC(N)=O)cc1	103199824	IUXLUUWKEUNPSG-UHFFFAOYSA-N	306.366	1.052	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1cccc2cn[nH]c12	106287609	ISINRKYZBZNIHN-UHFFFAOYSA-N	324.340	1.662	50	20	DDGD	
Cc1ccccc1C1(CNC(=O)NNC(=O)c2ccc[nH]2)CC1	102578898	CTQHBYYXMKLYRT-UHFFFAOYSA-N	312.373	1.999	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cc(Cl)ccn2)c1	103402608	FASOAVRZMBZVKI-UHFFFAOYSA-N	300.705	1.681	50	20	DDGD	
COc1ccc(C(=O)CCCC(=O)NNc2ncccn2)cc1	56654676	NZMUQKSHIHQUIO-UHFFFAOYSA-N	314.345	1.982	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Cn1c(C)cc2ccccc21	109859832	WUOYUYANLPDIOR-UHFFFAOYSA-N	311.345	1.442	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(Cl)nn2)c(OC)c1	118501837	IXXDPNMHKJOIBH-UHFFFAOYSA-N	308.725	1.904	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1CCc2c(Cl)cccc21	171782013	LPKYRIDZEPRSLS-GFCCVEGCSA-N	311.769	1.694	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNC(=O)c1c[nH]c2ccccc12	22249903	SHSRJWLMFGWNKE-UHFFFAOYSA-N	316.361	1.091	50	20	DDGD	
C[C@H]1CC[C@@H](CCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)O1	174929687	DQEUQIQOOXLBKX-GWCFXTLKSA-N	321.333	1.704	50	20	DDGD	
C=CC[C@@H](C)NC(=O)NNC(=O)CCc1ccc(OC)cc1	116973986	OEIVQRCKKZIMQK-GFCCVEGCSA-N	305.378	1.923	50	20	DDGD	
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)NCC1CC1	65193175	JCGDFDWTLXXTTL-UHFFFAOYSA-N	321.337	1.015	50	20	DDGD	
CN(C)N(C(=O)c1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1	68742265	PWOTYHMCYFLIIK-MRVPVSSYSA-N	322.839	1.507	50	20	DDGD	
C[C@H]1CC[C@H](C)N1[C@@H](C)C(=O)NNC(=O)Cc1ccncc1	174986394	LTNGIXMSYLAYQN-AVGNSLFASA-N	304.394	1.033	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCCc1ccc(OC)cc1	61650674	ILFSGAQJXDJDKR-UHFFFAOYSA-N	307.419	1.699	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2cc(C)ncn2)c1	122441006	PCRHENQFTZYLGO-UHFFFAOYSA-N	314.345	1.242	50	20	DDGD	
CN1C(=O)CC[C@H](C(=O)NN)[C@H]1c1ccc(C(F)(F)F)cc1	121190458	VWIGXKFNFVCSHT-CMPLNLGQSA-N	315.295	1.605	50	20	DDGD	
CC[C@H](C)N(C)CCNC(=O)NNc1ccc(Cl)nn1	66202786	QEAVOFUGAZUDBS-VIFPVBQESA-N	300.794	1.486	50	20	DDGD	
CC[C@@H](C)N(C)CCNC(=O)NNC(=O)c1ccccc1C	66203397	WPJNQWXAHFLUSH-CYBMUJFWSA-N	306.410	1.669	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Nc2cc(F)c(F)c(F)c2)cn1	186046722	ZARDOEVAUTWUAT-UHFFFAOYSA-N	313.239	1.304	50	20	DDGD	
CC(C)NC(=O)Nc1ccccc1C(=O)NNc1cccnn1	184776741	GELKOJYXZMWAOQ-UHFFFAOYSA-N	314.349	1.763	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C(=O)NNc2ccccn2)c1C	181169049	XVBSIYOTFLFVBM-UHFFFAOYSA-N	302.334	1.960	50	20	DDGD	
Cc1n[nH]nc1C(=O)NNC(=O)c1cc2c(s1)CCCCC2	189858109	HWMSLWLQTXKGSK-UHFFFAOYSA-N	319.390	1.518	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@@H]2CCCN2CC)cc1	74496042	GNGGIILHPYJJLG-HNNXBMFYSA-N	318.421	1.677	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ncc(-c2ccccc2)s1	128226819	AFLDKBBZRMRBEU-UHFFFAOYSA-N	306.347	1.609	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1cc2ccccc2[nH]c1=O	121354328	BURIFLFYKHYAHV-UHFFFAOYSA-N	316.361	1.201	50	20	DDGD	
Cc1cccc(-n2cc(C(=O)NNc3ncc(F)cn3)nn2)c1	122864966	BAXCNLCDNOQNBK-UHFFFAOYSA-N	313.296	1.262	50	20	DDGD	
CC(=O)N[C@H](CC(=O)NNc1cccnn1)c1ccc(C)cc1	77028847	BEBYXFQPEZPJAY-CQSZACIVSA-N	313.361	1.496	50	20	DDGD	
O=C(NNC(=O)c1cc(Br)c[nH]1)NC1CCCC1	31027276	FDBLLAIFCXLDNO-UHFFFAOYSA-N	315.171	1.664	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ncc(Cc2cccc(F)c2)s1	183120876	GTHAHWQWFWMABL-UHFFFAOYSA-N	324.337	1.018	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)CO)c1ccccc1C(F)(F)F	180949306	GYLDQCVYEPPLNJ-MRVPVSSYSA-N	304.268	1.339	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2cc(F)c(F)c(F)c2)no1	128619271	GIHPLLFGDYEJRU-UHFFFAOYSA-N	314.223	1.482	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccco1	122049653	ZUOQMBRLQDMYSF-CHWSQXEVSA-N	314.341	1.782	50	20	DDGD	
C=CCC[C@@H](C(=O)NNC(=O)C(=O)NC1CC1)c1ccccc1	188993301	FPPJHNXSEJCBLU-CQSZACIVSA-N	315.373	1.162	50	20	DDGD	
Cc1cccc(CCNC(=O)NNc2nc3ccccn3n2)c1	188084019	SGODHFLQPLTEAZ-UHFFFAOYSA-N	310.361	1.907	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C(C)(C)c1cccc(F)c1	134873161	UJGAFVVVYBAGLZ-UHFFFAOYSA-N	304.325	1.596	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CC[C@@H]1CCCO1	46317345	ABYGJBIGWITUQL-AAEUAGOBSA-N	324.352	1.700	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc2c(c1)OCCCO2	47340420	SWZCQUNZSZXXIV-UHFFFAOYSA-N	307.375	1.143	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Cc1noc2ccccc12	81025254	GXYDMWFRWPCJLS-UHFFFAOYSA-N	310.313	1.155	50	20	DDGD	
O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNc1ccc(F)cc1	45971994	LALFXMDIKAUJBC-STQMWFEESA-N	319.336	1.444	50	20	DDGD	
O=C(NC[C@@H]1CCCCO1)NNC(=O)c1cccc([N+](=O)[O-])c1	139812495	INFNUXJQZRKYPX-LBPRGKRZSA-N	322.321	1.108	50	20	DDGD	
COC(=O)CCCC(=O)NNc1nc(-c2ccccc2)no1	131120371	YLYOWBNQSORJOF-UHFFFAOYSA-N	304.306	1.523	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCC(N2CCCCC2=O)CC1	132680153	WCXIFNYUJOUYGS-UHFFFAOYSA-N	324.425	1.250	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccc(SC(F)F)cc1	190070324	KGCKRAZDPGSRHN-UHFFFAOYSA-N	304.318	1.533	50	20	DDGD	
COCCCOCCN(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	194834456	MXHAERCWFNMCAI-QINSGFPZSA-N	318.373	1.811	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)C(=O)Nc2cc(C)nn2C)c1	190470184	UGPZHNJAMOFPJN-UHFFFAOYSA-N	305.313	1.258	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)C[C@@H]1CCCOC1	192551439	FTMRADVSUVAASZ-LBPRGKRZSA-N	306.362	1.289	50	20	DDGD	
CC(=O)CC(C)(C)CC(=O)NNC(=O)COCc1ccccc1	191864533	SDLKUPYRWCTXKA-UHFFFAOYSA-N	320.389	1.746	50	20	DDGD	
ICCN1CCS[C@H]2COCC[C@H]21	190945625	VKNRSAMMDNUGRN-BDAKNGLRSA-N	313.204	1.628	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccc[nH]2)ccc1[N+](=O)[O-]	193574191	MLGFXLADTYLGOR-UHFFFAOYSA-N	303.278	1.698	50	20	DDGD	
Cc1cc(C)cc(OCCNC(=O)NNC(=O)c2ccc[nH]2)c1	193756545	YUHLKOMZYSKKJE-UHFFFAOYSA-N	316.361	1.655	50	20	DDGD	
CO[C@@H](C)C(=O)NNC(=O)c1ccc(Br)cc1	97513613	AERZBJUSKIHUSV-ZETCQYMHSA-N	301.140	1.245	50	20	DDGD	
CCc1nn(C)c(OC)c1CNC(=O)NNc1ccccn1	93151514	KQBZIRSUZZACFS-UHFFFAOYSA-N	304.354	1.212	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1cn2ccccc2n1)C(C)(C)C	266954418	UPTYZPTVRYRBHX-NSHDSACASA-N	302.378	1.706	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)CC2CCOCC2)c1	265338293	OAQTZNQMQNVGHH-UHFFFAOYSA-N	321.377	1.071	50	20	DDGD	
C[C@@H]1Oc2ccccc2[C@H]1NC(=O)NNc1cncc(Cl)n1	365761473	RHPQVPFHZAWAEC-SDBXPKJASA-N	319.752	2.278	50	20	DDGD	
Cc1cc(F)ccc1NC(=O)C(=O)NNC(=O)OC(C)(C)C	274152317	CYPWWTQEGAWONG-UHFFFAOYSA-N	311.313	1.629	50	20	DDGD	
CCOCCOc1c(Cl)cccc1NC(=O)NNC(C)=O	273247336	VOULDLDRKVJTMX-UHFFFAOYSA-N	315.757	1.928	50	20	DDGD	
CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NNc1cccnn1	273148199	HGCCEMGPILFFIJ-LLVKDONJSA-N	321.381	1.709	50	20	DDGD	
Cc1cc(N2C[C@H](C(=O)NN)CC2=O)ccc1Br	270186095	AYTUZXFVECBHAL-MRVPVSSYSA-N	312.167	1.100	50	20	DDGD	
C[C@H]1CCCN(C(=O)C(=O)NNc2cccc([N+](=O)[O-])c2)C1	278464195	SJBQZUIPLPFDFH-JTQLQIEISA-N	306.322	1.296	50	20	DDGD	
CC(C)(O)CCNC(=O)NNC(=O)c1cccc2ncccc12	274931749	NSYRTKJWYLKAID-UHFFFAOYSA-N	316.361	1.340	50	20	DDGD	
Cn1nc2c(c1NC(=O)C(=O)NNc1ccccc1F)CCC2	275468830	ANXBDYCUBCXDKT-UHFFFAOYSA-N	317.324	1.130	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)NOC1CCCC1	271759026	VBDOWTUPDQPUPC-UHFFFAOYSA-N	311.313	1.409	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C[C@H]2C[C@@H](C(C)=O)C2(C)C)n1	273708664	NXTDRSBOLZYGAG-NEPJUHHUSA-N	320.393	1.878	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNC(=O)C2CCC2)cc1Cl	289220240	NNUZDVKZHVCIGD-UHFFFAOYSA-N	323.780	1.788	50	20	DDGD	
C[C@](O)(CC(=O)NNC(=O)NCC(F)(F)F)c1ccccc1	280865271	BJONPZNIDBJCJS-LBPRGKRZSA-N	319.283	1.177	50	20	DDGD	
CN(NC(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1)C(N)=O	283604388	YOCHVBQIGKFFFL-ZDUSSCGKSA-N	310.741	1.265	50	20	DDGD	
CCCC(=O)N1CCCC[C@@H]1C(=O)NNc1ncccc1F	285989796	NNIHWOFNWRETQH-GFCCVEGCSA-N	308.357	1.845	50	20	DDGD	
C=CCNC(=S)NNC(=O)C1(c2ccccc2OC)CC1	281153759	HPCBPJVLGZTHPE-UHFFFAOYSA-N	305.403	1.408	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(OC[C@H]2CCCO2)cc1	288387936	FHDVZKXKMFTHJS-OAHLLOKOSA-N	308.378	1.467	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNC(=O)c1cccc(N(C)C)c1	809934617	AKBMRXFMBMDTJH-UHFFFAOYSA-N	321.380	1.738	50	20	DDGD	
O=C(CCCn1cccn1)NNc1ccc2c(=O)[nH]ccc2c1	803428868	QNPNMTXGHSDWOX-UHFFFAOYSA-N	311.345	1.648	50	20	DDGD	
O=C(Cc1csc(-c2nc[nH]n2)n1)NNc1ncccc1F	804217267	WAKWZTMBZLUZSD-UHFFFAOYSA-N	319.325	1.148	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)C2CC=CC2)cc1	291331569	VQBKKSXXXIFTBM-UHFFFAOYSA-N	309.391	1.346	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1cccc2c1CCCC2	292671989	DLILUNMBWHCPRM-AWEZNQCLSA-N	303.362	1.897	50	20	DDGD	
C[C@H]1CCCN(c2cc(C(=O)NNc3ncccn3)ccn2)C1	292498535	FNWULHAJBZWTHU-LBPRGKRZSA-N	312.377	1.865	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(C(F)F)CCCC1	808645478	NCFAZEWZKFWHKP-QMMMGPOBSA-N	306.309	1.301	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cnc3ccccc3c2O)O1	294052494	ZFEBORREDQOOJA-ZANVPECISA-N	315.329	1.269	50	20	DDGD	
CN(NC(=O)CNc1ccccc1C(N)=O)C(=O)OC(C)(C)C	297381999	VURDRKNGUMVVIM-UHFFFAOYSA-N	322.365	1.096	50	20	DDGD	
CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)[C@H]1CCCCO1	295678972	XUKCCPVKRUHARY-LSDHHAIUSA-N	320.389	1.869	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](CO)C2CCCC2)s1	290925403	YCGUWARXVYZHTA-LLVKDONJSA-N	311.407	1.552	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H](C)n1ccc2ccccc2c1=O	806340207	OTSWFMQAAKEUAG-NSHDSACASA-N	301.346	1.366	50	20	DDGD	
C[C@@H](CN(C)C)NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	807575705	IFDBRGTXRALTKM-GVMDUPDNSA-N	322.453	1.483	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O	808247553	FPINHNNBFIUROF-NTSWFWBYSA-N	321.126	1.706	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@H]2CCCCO2)cc(OC)c1C	295358855	JDVGQAGQHGBPQZ-GFCCVEGCSA-N	322.361	1.342	50	20	DDGD	
CSc1ccc([C@@H](C)NC(=O)NNC(=O)[C@@H]2CCCO2)cc1	292559842	IDBZOMLLUJCSPR-MFKMUULPSA-N	323.418	1.979	50	20	DDGD	
CN(CCNC(=O)NNc1cc(C(F)(F)F)ccn1)C1CC1	296376037	JFDXKUOASAQIFC-UHFFFAOYSA-N	317.315	1.821	50	20	DDGD	
CO[C@H]1CCC[C@H](C(=O)NNC(=O)COc2cccc(C)c2)C1	814363731	VQNNIHUFZPAROZ-KBPBESRZSA-N	320.389	1.726	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ncncc2F)c(F)c1	815766164	PTHJCZQMHNLXGU-UHFFFAOYSA-N	307.260	1.145	50	20	DDGD	
COc1ccc(CC(=O)NNc2nc3ccccc3n2C)nc1	816577765	ZHZFZRYHKKXECW-UHFFFAOYSA-N	311.345	1.663	50	20	DDGD	
COc1ccccc1N1C[C@@H](C(=O)NN(C)C2CC2)CC1=O	819644044	ZBZHWTSUGAUBAS-NSHDSACASA-N	303.362	1.174	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C1(c2ccccc2)CC(=O)C1	810342735	CYQBVYJTHHKDCI-UHFFFAOYSA-N	302.374	1.871	50	20	DDGD	
Cn1nncc1NNC(=O)c1nn(-c2ccccc2)c2c1CCC2	816769713	SPYNNERAJAUAQN-UHFFFAOYSA-N	323.360	1.246	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)Cc1ncc[nH]1	816831005	BTMCIJRBXSWQBK-UHFFFAOYSA-N	308.725	1.075	50	20	DDGD	
COCCC(COC)=NNC(=O)c1ccc(OC)cc1OC	812225547	HTYIKTWGJKJWGM-UHFFFAOYSA-N	310.350	1.473	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2nnc3nc[nH]n23)cc1	819982318	ZNNYGPNBIAHVIB-YRNVUSSQSA-N	323.316	1.397	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2cc(F)c[nH]2)c1	814727392	VNNVFQLLBMLYBW-UHFFFAOYSA-N	307.281	1.246	50	20	DDGD	
COc1ccnc(NNC(=O)c2c[nH]nc2-c2ccccn2)n1	810090768	XOBBUBWMDBLGRA-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)CC1(F)F	817513883	VGDJWFBMMMNRCR-AWEZNQCLSA-N	320.299	1.883	50	20	DDGD	
CN(C)c1nccc(NNC(=O)C[C@@]2(C)CC2(Cl)Cl)n1	825988051	RHXPAYPNDHSYSO-NSHDSACASA-N	318.208	1.960	50	20	DDGD	
C#CCO[C@@H](C)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	822198252	JYDNAJXUDSZPKR-IHWZXDPASA-N	318.417	1.779	50	20	DDGD	
CCc1ncsc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	825755187	RHKQCQZLMKYGJT-UHFFFAOYSA-N	315.362	1.643	50	20	DDGD	
CN(NC(=O)c1[nH]nnc1-c1ccccc1)C(=O)OC(C)(C)C	496243862	KICXYUYDSNAWNO-UHFFFAOYSA-N	317.349	1.983	50	20	DDGD	
Cc1ccc(Br)cc1CC(=O)NN(C)[C@@H](C)CO	823917559	KDODMZZIWNIJTK-JTQLQIEISA-N	315.211	1.644	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)Cc1ccc(F)cc1	726075824	HAMCIINUEAILGF-UHFFFAOYSA-N	313.398	1.242	50	20	DDGD	
CCN(CCO)NC(=O)[C@H](c1ccccc1)N1CCCCC1=O	823855733	DPRYREGXCKCILG-INIZCTEOSA-N	319.405	1.086	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cnn(CC(N)=O)c1	490845444	SQLAOHGCVFTJIJ-WZUFQYTHSA-N	313.292	1.053	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NN=c2cc[nH]cc2)cc(C#N)n1C	490845871	TZDCXCDWYKPLDA-QPEQYQDCSA-N	306.329	1.072	50	20	DDGD	
CC(C)COc1ccccc1NC(=O)NNC(=O)c1cc[nH]n1	820171171	HCQHPVWRHZFIFQ-UHFFFAOYSA-N	317.349	1.911	50	20	DDGD	
CC(=NNC(=O)c1ccnnc1)C1CN(C(=O)OC(C)(C)C)C1	496606580	OCTCYPYEVMJYDO-UHFFFAOYSA-N	319.365	1.449	50	20	DDGD	
CC[C@H](O)CCCNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	490727060	XMDCXZIKYLLZQG-SBNBMVPLSA-N	314.389	1.779	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)/C=C/c1ccc(Cl)s1	491754604	YYSMAVZCSZNROJ-HWKANZROSA-N	310.766	1.907	50	20	DDGD	
O=C(NNc1ncncc1F)c1cc(O)nc2c1CCCC2	820387068	XCGWKFLVKAEBKA-UHFFFAOYSA-N	303.297	1.352	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CC[C@H](C#N)C2)c1F	824772355	YFNNELOXOIMCBH-VHSXEESVSA-N	320.324	1.931	50	20	DDGD	
CCN1C[C@H](C)N(C(=O)/C(C#N)=C/c2cnn(C)c2)C[C@H]1C	491137277	XAMABXDZNDAPNR-IFOMRHNGSA-N	301.394	1.268	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)C(C)(C)C	495393299	NISMLMUAJOQRKZ-JTQLQIEISA-N	315.414	1.731	50	20	DDGD	
Cc1ccc(CN(C(=O)c2cccc(B(O)O)c2)C2CC2)cc1C	584952924	ZJCTYSOSMHKAKX-UHFFFAOYSA-N	323.201	1.788	50	20	DDGD	
CC(C)(C)c1cc(-c2nc(-c3cccc(B(O)O)c3)no2)no1	585054581	YCZSUNTXKWHQDF-UHFFFAOYSA-N	313.122	1.369	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)Cc1coc2cc3c(cc12)CCC3	823988373	RDWGHRFLOHHINN-LLVKDONJSA-N	302.374	1.808	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NCCOCCF)ccc1F	824320504	IUIMTJDPEJNQGG-UHFFFAOYSA-N	317.292	1.225	50	20	DDGD	
COc1ccc(CCNC(=O)/C(C#N)=C\c2cn(C)nn2)cc1	490664401	QHILMKIEUSDHPV-LCYFTJDESA-N	311.345	1.090	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@@H]1CC[C@@H](C(F)(F)F)C1	584914289	UMMKWZHOGNDFSX-RKDXNWHRSA-N	301.073	1.284	50	20	DDGD	
CCOc1nc2ccc(C(=O)NNC(=O)CC(C)C)cc2[nH]1	822372437	ZDEAWLAIMOKCOW-UHFFFAOYSA-N	304.350	1.769	50	20	DDGD	
CN(NC(=O)[C@](N)(c1cccc(F)c1)C(F)(F)F)C1CC1	822434597	WMMSSYDUYYFHLX-GFCCVEGCSA-N	305.275	1.667	50	20	DDGD	
C[C@H](CC(=O)NNc1cccc(-c2nn[nH]n2)c1)c1ccncc1	824385082	LJQOQAFJUSQYPX-LLVKDONJSA-N	323.360	1.899	50	20	DDGD	
CC(=O)N[C@H]1CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1	491163691	XQNWTCLVDFSKCG-ODDCISTRSA-N	301.321	1.470	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H](O)C1)Nc1ccc(OC(F)F)cc1	822759954	CGFQLRFAGHCGIW-OTSSQURYSA-N	315.276	1.212	50	20	DDGD	
C[C@H](Cc1ccsc1)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	825747929	DUIGZMAAQPFNBY-CKYFFXLPSA-N	311.407	1.435	50	20	DDGD	
OB(O)c1ccc(-c2noc([C@H]3CCCCC3(F)F)n2)cc1	585054980	OZQKLIWRRMBCMZ-LLVKDONJSA-N	308.093	1.709	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C(C)c1cc[nH]n1	496568005	UDPRBFPVDDJRJX-LBPRGKRZSA-N	319.365	1.167	50	20	DDGD	
Cc1ccc(S(=O)(=O)N2CC=C(C#N)CC2)cc1C(=O)O	906926827	ZSJDBRRHWNZIRH-UHFFFAOYSA-N	306.343	1.538	50	20	DDGD	
C[C@@]1(c2cccs2)C[C@H]1CNCc1ccc(B(O)O)cc1F	585024518	YSVQMRFMUOHPCV-BLLLJJGKSA-N	319.210	1.634	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(C)cnc1Cl	901289967	FSCUSQHSDYJBLG-UHFFFAOYSA-N	318.855	1.515	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H]1CC[C@H]2CCCCN21	900643210	BDGOTKUBRJTSQB-TZMCWYRMSA-N	317.389	1.473	50	20	DDGD	
COc1ccc(C(=O)NNc2oc(C(C)C)nc2C#N)nn1	737817840	BZAWIIXVXJUMMD-UHFFFAOYSA-N	302.294	1.225	50	20	DDGD	
C#C[C@@H](CC)NC(=O)NNC(=O)c1ccc(OCC)c(OC)c1	491812047	DQFKLHPMMNJORR-LBPRGKRZSA-N	319.361	1.450	50	20	DDGD	
C[C@@H]1CN(C[C@@H](C)C(=O)NN=CCCc2cnoc2)C[C@@H](C)O1	834932839	GTADURDMSHIYBF-MGPQQGTHSA-N	322.409	1.455	50	20	DDGD	
O=C(NN=Cc1ccc(OC(F)(F)C(=O)O)cc1)c1ccc[nH]1	730728446	WMLJMTIZUBQZFN-UHFFFAOYSA-N	323.255	1.835	50	20	DDGD	
C#CCN(CC(=O)NNc1ccnc(F)c1)C(=O)OC(C)(C)C	831918954	UFRHHGWKQCDWPP-UHFFFAOYSA-N	322.340	1.534	50	20	DDGD	
CN(C)C(=O)[C@@H]1CCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C1	839635961	MJJPZUMIJGZBKY-BKNIFWKGSA-N	314.345	1.869	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NC[C@H]1CCCNC1=O	838780361	YVWXAIMIRHUXTA-CYBMUJFWSA-N	304.394	1.710	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)C(=O)NNC(=O)c1ccccc1F	837310354	ANSULMJCLOKFRZ-JTQLQIEISA-N	304.325	1.199	50	20	DDGD	
CCOc1ccc(CN(C)[C@H](C)C(=O)NNC(=O)CC)cc1	731848606	IGYQLNKYMLLKBL-GFCCVEGCSA-N	307.394	1.463	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cc(O)nc2ccc([N+](=O)[O-])cc12	731874713	OWTSXUFVUXYXBA-UHFFFAOYSA-N	316.273	1.020	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@H]1CCC[C@H](C(=O)O)C1	832977283	HHPIUFBHASWPBD-KBPBESRZSA-N	318.373	1.576	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)[C@@H]2CCCCO2)c(C)c1	836256004	LKPFYICMCCMQOC-HNNXBMFYSA-N	319.405	1.745	50	20	DDGD	
COc1cc(C(=O)NNc2cccnn2)cc(OC)c1OC	736702007	QVIPYYWFLKPHHL-UHFFFAOYSA-N	304.306	1.259	50	20	DDGD	
CC(C)COc1ccc(C2(C(=O)NCB(O)O)CCC2)cc1	585059526	QMCSJFJPVVMKCW-UHFFFAOYSA-N	305.183	1.271	50	20	DDGD	
O=C(NCB(O)O)c1cc(-c2cccs2)nc2ccccc12	585060401	QISDWSRSZOCLJY-UHFFFAOYSA-N	312.159	1.705	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1c(C)oc2ccccc12	834974269	XYPCQDLGMXONSQ-UHFFFAOYSA-N	303.318	1.937	50	20	DDGD	
CC(C)[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1ncon1	832825780	HETYHMVOFCZLRR-GFCCVEGCSA-N	302.334	1.346	50	20	DDGD	
CC[C@](C)(CNC(=O)NNC(=O)Cc1ccccc1C)OC	836579095	MKPSZTUFCYDYHP-MRXNPFEDSA-N	307.394	1.683	50	20	DDGD	
NCCS(=O)(=O)NC(=O)CCCC[C@@H]1CCSS1	901094807	RLBHFUFYLXJKKK-SECBINFHSA-N	312.482	1.105	50	20	DDGD	
Cc1ccccc1[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1	584938710	NNXZNAHKNGDHJO-OAHLLOKOSA-N	309.174	1.305	50	20	DDGD	
CN(C)c1ccc(CCCNCc2cccc(B(O)O)c2)cc1	585015070	NSGUWNWUFOFNIC-UHFFFAOYSA-N	312.222	1.155	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=C1C[C@H](C)n2ccnc21	834922536	IAVRBSSEUDZEQL-JTQLQIEISA-N	308.345	1.938	50	20	DDGD	
OB(O)c1ccccc1CNCCOCc1cccc(Cl)c1	585031993	NLYBXWSVXSMRSZ-UHFFFAOYSA-N	319.597	1.326	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@H]1C[C@H]1C(=O)O	737268029	XDNAGNAVFSXBSE-WDEREUQCSA-N	321.402	1.596	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1nc2c(s1)CCCC2	831072189	MDUGWSAYQXLKEU-DTWKUNHWSA-N	324.406	1.600	50	20	DDGD	
CN(C)c1ccccc1NC(=O)NNC(=O)[C@@H]1CCCCO1	836259192	SGHRFXGXBIUYMR-ZDUSSCGKSA-N	306.366	1.474	50	20	DDGD	
COc1ccc2c(c1)OCC[C@@H]2NC(=O)NNc1ccncn1	836324300	MMOFVYCGWLJWIF-LBPRGKRZSA-N	315.333	1.635	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NC(CF)CF)c2ccccc21	836192165	LUZOMHGUTASLCX-UHFFFAOYSA-N	310.304	1.430	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1ccc(C(C)=O)cc1OC	749855191	CEIJEBSGFARMKE-SNVBAGLBSA-N	324.402	1.936	50	20	DDGD	
CCC[C@@H](C(=O)NNc1ccccc1Cl)S(N)(=O)=O	830786621	YGWREEFMTHOCBO-JTQLQIEISA-N	305.787	1.240	50	20	DDGD	
O=C(NN=Cc1cc(Br)c[nH]1)N1CCOCC1	834947580	GGIDPZKRNJFKLK-UHFFFAOYSA-N	301.144	1.153	50	20	DDGD	
Cc1noc(C)c1C(=O)NNC(=O)c1ccc(Cl)cc1O	918357363	CXDGCBXWSMLBKS-UHFFFAOYSA-N	309.709	1.725	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNC(=O)c1ccc(C)cc1O	839551989	XORYRUIUZAWLGY-JTQLQIEISA-N	308.334	1.051	50	20	DDGD	
CN(CCC#N)c1ccc(C=NNC(=O)N2CCOCC2)cc1	745591372	XIXNKJVBLROWCI-UHFFFAOYSA-N	315.377	1.412	50	20	DDGD	
Cc1ccc2c(c1)O[C@H](C)CN2CC(=O)NNC(=O)C1CC1	748833408	QNKLMVAKOYFJDP-LLVKDONJSA-N	303.362	1.140	50	20	DDGD	
O=C(NNC(=S)N[C@H]1CCOc2ccccc21)C1CCC1	741492967	UOUHVKDGTUHXCM-LBPRGKRZSA-N	305.403	1.806	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1c[nH]c2ncccc12	741763738	FDTPNGZZFYEHHI-UHFFFAOYSA-N	301.350	1.318	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CC1(CSC)CC1	845348548	PLQACWRGZBTYQL-SECBINFHSA-N	302.396	1.009	50	20	DDGD	
Cc1noc(Cl)c1CCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843971759	DLYATFJCUFWYES-WCBMZHEXSA-N	315.757	1.141	50	20	DDGD	
O=C(CNc1ccccc1Cl)NNC(=O)c1cccnc1	745835310	CGNXONMTTJECNW-UHFFFAOYSA-N	304.737	1.608	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1ccccc1Cl	843649257	UGUIXGYUHLVHKU-JQWIXIFHSA-N	310.781	1.845	50	20	DDGD	
C[C@H]1CCCC[C@H]1NC(=S)NNC(=O)Cc1ccncc1	747673157	VQTNMXIBIWTJEB-WCQYABFASA-N	306.435	1.698	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C1CCc2c1cccc2[N+](=O)[O-]	848413108	KGAPGGRYIYCCHI-UWVGGRQHSA-N	303.318	1.786	50	20	DDGD	
COC(=O)c1cnc(C(C)=NNC(=O)CC(F)(F)F)s1	841619051	JPHPGNTUEFOQKP-UHFFFAOYSA-N	309.269	1.722	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccn(-c2ccc(Cl)cc2)n1	910161382	YMUZNWBUIAGOKM-SNVBAGLBSA-N	308.769	1.483	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CC1(Cn2cnnn2)CCCCC1	845212644	JTOOLDDALQVWQD-UHFFFAOYSA-N	322.413	1.207	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1cc(C)oc1C	916362418	JWWCGGQHFWHCON-LLVKDONJSA-N	307.394	1.705	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C[C@@H](OC)C(F)(F)F)cc1	844286995	BFUJAVCVLCYSDJ-LLVKDONJSA-N	318.295	1.977	50	20	DDGD	
Cn1cc(-c2cccc(C(=O)NNC(=O)c3cccnc3)c2)cn1	741660641	YCHUGKMDBALOHU-UHFFFAOYSA-N	321.340	1.557	50	20	DDGD	
O=S(=O)(O[C@H]1CNOC1)c1ccc(CCCCl)cc1	845931743	WPBFFKJHAQSGNE-NSHDSACASA-N	305.783	1.467	50	20	DDGD	
Cc1cnc(CCNC(=O)NNC(=O)c2ccc[nH]2)c(C)c1	847413680	WKKIAGORNCDELI-UHFFFAOYSA-N	301.350	1.213	50	20	DDGD	
O=C(NCC1=CCNCC1)NNc1ccc(OC(F)F)cc1	841971470	IQHAOMDTOIYZIH-UHFFFAOYSA-N	312.320	1.834	50	20	DDGD	
CC(C)(C)OC(=O)Cn1cccc1C=NNC(=O)c1ccc[nH]1	841615957	DFTFSXKYLTYSMZ-UHFFFAOYSA-N	316.361	1.922	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cccc(OC(F)F)c2)n1	740107466	ILZHZOCZEBDBRC-UHFFFAOYSA-N	323.303	1.901	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2ccccc2Br)CN1	748066360	OCJUZJVEVUDLKV-QMMMGPOBSA-N	312.167	1.418	50	20	DDGD	
Cn1cccc1C(=O)NN=Cc1cccc(OCCC(=O)O)c1	746682354	NAABVEBRZGKMBZ-UHFFFAOYSA-N	315.329	1.643	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1)c1ncccn1	841614503	OKFSYSJLSKJGBQ-AGIUHOORSA-N	319.409	1.062	50	20	DDGD	
CC(=NNC(=O)Cc1csc(N2CCOCC2)n1)C1CCC1	747630984	XVVMILKYBXIEBQ-UHFFFAOYSA-N	322.434	1.814	50	20	DDGD	
COC[C@@H](CNC(=O)NNc1ccc(Cl)c(C)c1)OC	921876792	PEONOCFGZJWHTH-LLVKDONJSA-N	301.774	1.936	50	20	DDGD	
C[C@]1(CNC(=O)NCCN2CC=CCC2)C[C@H]1Br	856956294	XNIPVLJYVZHUHQ-DGCLKSJQSA-N	316.243	1.721	50	20	DDGD	
CCn1ncc(C(=O)NN(C)C(=S)NC)c1-c1ccccc1	854919919	HYCFSJGEQVHZQQ-UHFFFAOYSA-N	317.418	1.651	50	20	DDGD	
CCOC(=O)[C@@H](CC(=O)NNc1ccc(OCC)cc1)C(C)=O	854656162	FRQVICOOHWRMJB-AWEZNQCLSA-N	322.361	1.687	50	20	DDGD	
CC(C)N1CCC[C@H]1C(=O)NNC(=O)c1c[nH]c2ccccc12	929391907	YNIPCSFEKOPHGC-HNNXBMFYSA-N	314.389	1.802	50	20	DDGD	
Cc1cccc(C)c1C=NNC(=O)Cc1cc(O)nc(S)n1	755619332	YXRXNLWKMRPYHT-UHFFFAOYSA-N	316.386	1.781	50	20	DDGD	
CC(C)=C(C)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1	751350695	HNWPATOZAQAZQO-UHFFFAOYSA-N	310.375	1.207	50	20	DDGD	
C[C@@H]1CC/C(=C/C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)C1	753633961	QJNOGHFTKKZXEV-RGXVFGMQSA-N	300.424	1.225	50	20	DDGD	
CN(CC(=O)NNC(=O)C(C)(C)C)c1ccc2c(c1)OCO2	756653310	GEEXDQRFLMSOHX-UHFFFAOYSA-N	307.350	1.045	50	20	DDGD	
CC(CCN(C)C)=NNC(=O)c1nnc(-c2ccccc2)o1	920384828	FQMJETNDDPLZHI-UHFFFAOYSA-N	301.350	1.794	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)C(F)(F)c1nccs1	756692716	NODKMENRIJINLY-UHFFFAOYSA-N	312.301	1.020	50	20	DDGD	
CSSCCNC(=O)N1CC[C@@H](CN2CCCC2=O)C1	854050693	JARKNZBUZADTNQ-NSHDSACASA-N	317.480	1.652	50	20	DDGD	
Cc1nc(C(=O)NNc2cc(Cl)nc(N)n2)c2ccccn12	753450401	VAKUGASUKCCDAV-UHFFFAOYSA-N	317.740	1.425	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2cccnn2)cc1	757660363	GCYIAIBAIVYGMA-UHFFFAOYSA-N	301.306	1.017	50	20	DDGD	
CCOC1CC(CCNC(=O)NNc2ncc(Cl)cn2)C1	856886145	GWSFIAHLTSLHLV-UHFFFAOYSA-N	313.789	1.961	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)c1ncccn1)c1ccccc1	852384632	FOPBEUTVNIFWIK-UHFFFAOYSA-N	313.361	1.398	50	20	DDGD	
CO[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1cc(C)cs1	858584082	LPBFEIKFVHSNKZ-GHMZBOCLSA-N	311.407	1.958	50	20	DDGD	
CCC[C@@H](C)NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	851922493	MVMLDFZXUAYKLZ-LLVKDONJSA-N	314.430	1.448	50	20	DDGD	
C[C@H]1COC(C)(C)CN1C(=O)NNC(=O)c1cccc(F)n1	852710911	XYKUJIIQPLYOFS-VIFPVBQESA-N	310.329	1.074	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2ccc([N+](=O)[O-])n2C)c1	759319692	VBDWSRWEYXGBPH-UHFFFAOYSA-N	308.269	1.838	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C(C)(C)CNC(C)=O)c1C	855623366	BSULUMPYQLQLBY-UHFFFAOYSA-N	321.377	1.387	50	20	DDGD	
COCCc1nc(C)c(C(C)=NNC(=O)c2cc[nH]n2)s1	853392522	OYZIJHJCIJIITC-UHFFFAOYSA-N	307.379	1.518	50	20	DDGD	
C[C@H](c1ccccc1)[C@@H](O)CNS(=O)(=O)CBr	851858983	WGIXJGICRTVDLX-KOLCDFICSA-N	322.224	1.423	50	20	DDGD	
Cc1csc(=O)n1CCC(=O)NNc1ccnc(Cl)c1	855469815	SQZDJUGRWMCVKQ-UHFFFAOYSA-N	312.782	1.800	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC1(CC(=O)OCC)CCOCC1	856313465	QOOZTJDVWZIVBA-QXMHVHEDSA-N	310.350	1.049	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C	858112143	GTPCPHULOMSUFR-LSDHHAIUSA-N	312.366	1.664	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNC(=O)c1ccc2c(c1)OCO2	858122320	SWCPLMRRDQHFIR-LBPRGKRZSA-N	308.334	1.382	50	20	DDGD	
CNC(=S)N(C)NC(=O)Cc1ccc(OCC(C)C)cc1	854924309	UHYLZZXUPLWTLX-UHFFFAOYSA-N	309.435	1.731	50	20	DDGD	
CC[C@@H](C)N(C)CC(=O)NNC(=O)c1ccc(OC)c(OC)c1	756588450	GORVBGDUKXTKAQ-LLVKDONJSA-N	323.393	1.195	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CCNC(C)(C)C	936035662	IJXDRYKSDQCHFY-UHFFFAOYSA-N	307.394	1.163	50	20	DDGD	
CCC(=NNC(=O)COc1ccccc1C#N)c1ccn(C)n1	758085283	SBSHBVIYYJIDAU-UHFFFAOYSA-N	311.345	1.601	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cccc(-c2nccs2)c1	756158143	GFLMDLAMJMJTIY-UHFFFAOYSA-N	306.347	1.609	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@]12CCCc1ccccc12)c1cn[nH]c1	862472807	SURNLESWWXDSEK-YOEHRIQHSA-N	310.357	1.465	50	20	DDGD	
CC(=O)N[C@H](CC(C)C)C(=O)NNc1ccc([N+](=O)[O-])cc1	860312863	OCVVJJIYZLHRAD-CYBMUJFWSA-N	308.338	1.589	50	20	DDGD	
CCOCC(=O)NN=Cc1cc(C)c(Br)cn1	863091216	PDVKDQPUHHNXQW-UHFFFAOYSA-N	300.156	1.639	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)c2cncnc2)cc1	760819142	ROLBSTSSKGVUDV-UHFFFAOYSA-N	300.322	1.009	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ncccc1C(F)(F)F	765580106	HCTKZLGNYFWIJC-VIFPVBQESA-N	319.283	1.602	50	20	DDGD	
Cc1cccc(CO[C@H](C)C(=O)NNc2ncc(F)cn2)c1	867043034	GCFXSFMVRZNYFW-LLVKDONJSA-N	304.325	1.973	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccncc2)nc1Cl	766949027	LNSYNNPSMPYBNO-UHFFFAOYSA-N	306.709	1.213	50	20	DDGD	
O=C(NNc1ccc(Br)nc1)c1ccnc(O)c1	769082768	BAMFGCJJAVBDDD-UHFFFAOYSA-N	309.123	1.702	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1cnn(CC2CC2)c1	865086169	OPKPOKUXKIKYAC-UHFFFAOYSA-N	312.373	1.687	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)c1cc2n(n1)CCCO2	762085893	HKFIUIYVQANFJA-UHFFFAOYSA-N	316.346	1.427	50	20	DDGD	
CC(C)C(=O)NNC(=O)CSc1nc2cnccc2s1	863360826	YBZOWIOVKHVDMM-UHFFFAOYSA-N	310.404	1.587	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)Cc2cc(C)[nH]n2)cc1C	869013355	XLOOFNADAJWFIZ-UHFFFAOYSA-N	306.391	1.654	50	20	DDGD	
Cn1cc(Cl)c(C(=O)NC[C@@]2(C)C[C@H]2Br)n1	862259095	YGWAUQCOOOAVOL-GMSGAONNSA-N	306.591	1.977	50	20	DDGD	
CC(C)O[C@H](C=NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1	863149515	BDJGTGYFAYWNIE-ZIAGYGMSSA-N	303.362	1.533	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1c(C(F)F)nc2ccccn12	868591503	YGVQKIGAPWNIFY-UHFFFAOYSA-N	308.288	1.833	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1ccc(F)c(F)c1N(C)C	863123753	KQIZBOOZNLVOMV-MWLCHTKSSA-N	311.332	1.906	50	20	DDGD	
CN(NC(=O)CCNC(=O)c1cc2ccccc2[nH]1)C1CC1	868961964	ICRLGSSOVGJLRJ-UHFFFAOYSA-N	300.362	1.413	50	20	DDGD	
CCO[C@@H]1C[C@H](NS(=O)(=O)CC(C)(C)CCl)[C@H]1OC	867106323	AYCOGRRJAWYNAO-HBNTYKKESA-N	313.847	1.363	50	20	DDGD	
COC(=O)[C@@H](C)Cc1ccc(NC(=O)NNC(=O)C(C)C)cc1	760084929	BZRGIIJEXOUQFP-NSHDSACASA-N	321.377	1.847	50	20	DDGD	
COc1c(C(=O)NNC(=O)CC(C)C)cnn1-c1ccccc1	1116660609	XDBLMTMVUMIWIW-UHFFFAOYSA-N	316.361	1.688	50	20	DDGD	
COCCOCC(=O)NN=C1CC(C)(C)Oc2ccc(O)cc21	872400704	PHXQUSUBKBHACL-UHFFFAOYSA-N	322.361	1.437	50	20	DDGD	
COCCOCC(=O)NN=C(C)[C@@H](C)c1ccc(OC)cc1	872401592	BIOBYGHCRHWRRW-GFCCVEGCSA-N	308.378	1.954	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(N2CCOC2=O)ccc1C	878842640	VFJBEOIHDHZDTR-UHFFFAOYSA-N	322.365	1.566	50	20	DDGD	
Cc1ccc(O)c(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)c1	771852940	OGRDXSUQPXROQL-LLVKDONJSA-N	322.361	1.439	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccnc1C1CC1	772301937	XPOKXKAAOOAEME-SECBINFHSA-N	305.334	1.062	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2cnc([C@@H](C)O)s2)n1	773032503	MCFDRWPJTRGUGX-MRVPVSSYSA-N	310.404	1.654	50	20	DDGD	
CN(C)c1cnc(C(=O)NNc2cc(F)c(F)cc2F)cn1	779674309	IJMFSMMDPBEWHQ-UHFFFAOYSA-N	311.267	1.717	50	20	DDGD	
CCOC(=O)[C@H]1CSCCN1C[C@@H](C)CBr	770648658	UJGKPSVKGRZSDI-VHSXEESVSA-N	310.257	1.998	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cc(-c2ccccc2)on1)N(C)C	873877392	MKTWQWZIXIHCFD-SNVBAGLBSA-N	302.334	1.053	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)N[C@@H](C(C)(C)C)C(F)(F)F	775980898	WKIMZDYDHXSRPS-VIFPVBQESA-N	321.303	1.639	50	20	DDGD	
CO[C@@](C)(C(=O)NNc1ccc(F)cn1)C(=O)OC(C)(C)C	874647375	UOANFFRUMUPLFG-AWEZNQCLSA-N	313.329	1.411	50	20	DDGD	
COc1ccnc(NNC(=O)c2cnn(C)c2-c2ccccc2)n1	775525698	OWLPFXXMJKHXLT-UHFFFAOYSA-N	324.344	1.643	50	20	DDGD	
N#CSCCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	773586105	ROPBFXVKVSQSTJ-UHFFFAOYSA-N	310.291	1.837	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CNC1(c2ccccc2F)CC1	775452167	LFKQZIHCHQWBPL-UHFFFAOYSA-N	307.369	1.598	50	20	DDGD	
COc1ccc(CCC=NNC(=O)C(=O)NC2CC2)c(C)c1	777430245	POAQXPUODZLREO-UHFFFAOYSA-N	303.362	1.317	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CN2CCOC2=O)c1	873757732	KCSRYIOBIXBVGS-UHFFFAOYSA-N	322.390	1.073	50	20	DDGD	
Cn1ccnc1[C@@H]1N(S(=O)(=O)CCCCl)CC1(C)C	882229015	XLHWNBMRFCIIRW-JTQLQIEISA-N	305.831	1.762	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(F)c1F	776258916	AQOFJCWACNIDNU-VIFPVBQESA-N	316.329	1.240	50	20	DDGD	
COCc1nc(C)c(C(=O)NNC(=S)NC(C)C)s1	1116388300	GJNUDAUGKQDYMP-UHFFFAOYSA-N	302.425	1.115	50	20	DDGD	
CC[C@H](C)n1nc(C(=O)NNc2nncc(N)c2Cl)cc1C	1116494242	BESRYAGXPDGPKW-ZETCQYMHSA-N	323.788	1.945	50	20	DDGD	
CCOc1ccc(C(=O)O[C@H](C)C(=O)NNC(=O)CC)cc1	771889446	KTONWIUKOLOYIS-SNVBAGLBSA-N	308.334	1.188	50	20	DDGD	
COC(=O)c1cc(CNC[C@@]2(C)C[C@@H]2Br)on1	877647850	UWQGTFMAJWQJJA-GXSJLCMTSA-N	303.156	1.724	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCC(C)(F)CC2)cc1	879380995	HNQWIVISWYWABD-UHFFFAOYSA-N	307.369	1.580	50	20	DDGD	
Cc1cc(CSc2ccccc2C(=O)NNC(=O)CO)on1	777781987	UTYOEGORTTXXQL-UHFFFAOYSA-N	321.358	1.029	50	20	DDGD	
COc1ccc(CN(C)C(=O)CN2CC=C(C#N)CC2)cc1F	779585856	KDLCNULIOIZQME-UHFFFAOYSA-N	317.364	1.948	50	20	DDGD	
O=C(CO)NN=CC1=Cc2cc(Cl)cc(Cl)c2OC1	776780661	MNOYTTGSPVHMIA-UHFFFAOYSA-N	301.129	1.864	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cnc(N(C)C)cn1	772871401	WOAGFYNDKXCHJX-UHFFFAOYSA-N	301.354	1.213	50	20	DDGD	
O=C(NNc1ccccc1OC(F)(F)F)c1ccc(O)nn1	779208147	BOLYFYXNAZWLAQ-UHFFFAOYSA-N	314.223	1.838	50	20	DDGD	
C[C@@H]1OCC[C@@]12CN(S(=O)(=O)CCCCl)C[C@@H](C)O2	882140771	QBEXALOHRJIQPI-GRYCIOLGSA-N	311.831	1.213	50	20	DDGD	
Cc1cc2c(cc1C)O[C@H](C(=O)NNC(=O)C1CCOCC1)C2	883065033	XONVGOUKJRGIQH-HNNXBMFYSA-N	318.373	1.181	50	20	DDGD	
CCOC(CN(CC)S(=O)(=O)CCCCl)OCC	882240499	GAIVZNGXBDKBBV-UHFFFAOYSA-N	301.836	1.666	50	20	DDGD	
CO[C@H]1CCC[C@@H]1C(=O)NNc1ccccc1S(C)(=O)=O	1120709483	RCWTWQUFSRSYAC-JQWIXIFHSA-N	312.391	1.348	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)C(C)C)c(OCCN(C)C)c1	782571587	DLYNKHJPHRMBFI-UHFFFAOYSA-N	322.409	1.744	50	20	DDGD	
COc1ccc(OC)c(NC(=O)C(=O)NNc2ccccc2)c1	784767263	NSPHFWLASQXDQC-UHFFFAOYSA-N	315.329	1.786	50	20	DDGD	
O=C(CCc1cccnc1Cl)NNC(=O)C1CCOCC1	883071646	IVXHLECYVZNBBU-UHFFFAOYSA-N	311.769	1.242	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1cccc2c1N(C)C(=O)CO2	887273795	BDHXACPIDHESNY-CSKARUKUSA-N	301.302	1.424	50	20	DDGD	
Cc1nc2cc(NC(=O)C(=O)NNc3ccccn3)ccc2n1C	784794125	GZZWTWGFSIMFEA-UHFFFAOYSA-N	324.344	1.359	50	20	DDGD	
Cc1cc(C=NNC(=O)c2ccc3c(c2)OCCO3)sn1	785452643	GOXNPVNGPBGOBC-UHFFFAOYSA-N	303.343	1.987	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)Cc2cnc[nH]2)c1C	899948010	CNIYPAZSQMQGHV-LBPRGKRZSA-N	316.361	1.184	50	20	DDGD	
Cc1nc(C)c(NC(=O)C(=O)NNc2ccnc(F)c2)s1	784846686	FTOQHQCJZMSKJF-UHFFFAOYSA-N	309.326	1.376	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)COc2ccc(C)cc2)no1	895477997	RSULYXOTSWOQEC-UHFFFAOYSA-N	303.318	1.385	50	20	DDGD	
CCc1cc(C(=O)NNc2ccnc(N(C)C)n2)cc(Cl)n1	895275881	KKSSLNANMHHXNW-UHFFFAOYSA-N	320.784	1.910	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)CCc1ccccc1	793329062	QTDWBSWYQIWOGS-GXTWGEPZSA-N	302.374	1.772	50	20	DDGD	
CC(=NNC(=O)CNc1ccc(C)cc1)C(C)(C)n1cncn1	794463824	MBGIPZIJFHREOF-UHFFFAOYSA-N	314.393	1.926	50	20	DDGD	
C[C@H]1CCC[C@@H]1CNC(=O)NNc1ccc(-n2cccn2)nn1	798512599	NDKXHKBWPYPIDX-NWDGAFQWSA-N	315.381	1.725	50	20	DDGD	
O=C(NN=C1CCCC12CCOCC2)C(=O)Nc1ccccn1	799880938	JNWZTBHZFOETEM-UHFFFAOYSA-N	316.361	1.473	50	20	DDGD	
COc1ccc(OCC(=O)NN=C(C)c2cc(C)n(C)n2)cc1	799868444	OJXMKAXHGIWDPJ-UHFFFAOYSA-N	316.361	1.656	50	20	DDGD	
Cn1c(C(=O)NNC(=O)C2CCCC2)cc2ccccc2c1=O	795185045	KWNXSFDKVFWAQH-UHFFFAOYSA-N	313.357	1.490	50	20	DDGD	
CCCCn1ncc(NC(=O)NNC(=O)CN(C)C)c1C(C)C	792503196	XLOBOVVGNAHDLV-UHFFFAOYSA-N	324.429	1.521	50	20	DDGD	
COc1cccc(C(=O)CCCC(=O)NNC(=O)C(C)C)c1	794182691	MSSBYFRGFMWEEE-UHFFFAOYSA-N	306.362	1.852	50	20	DDGD	
C=CC[C@@H](CC)NC(=O)NNC(=O)c1c(C)nc2ccccn12	798497008	ZRNBBAFGYQQAMC-GFCCVEGCSA-N	315.377	1.941	50	20	DDGD	
C[C@@]1(C=NNC(=O)Cc2cc(O)nc(S)n2)CCCS1	792959786	RGKIKPBNJUYFEC-LBPRGKRZSA-N	312.420	1.401	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)Nc1ccc(C2CC2)nn1	792327785	QFOFXRADKCXFPS-UHFFFAOYSA-N	310.321	1.545	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc(C#N)c1)c1nnnn1C1CC1	790714013	GAVVMJICGMIGQK-SECBINFHSA-N	312.337	1.267	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1Cc2ccccc2O[C@H](C)C1	795431323	NVASVJSHDYCRDQ-VXGBXAGGSA-N	305.378	1.215	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2c(C)nc3sc(C)nn23)n1	794567910	TVBXJBZZJOGMAH-UHFFFAOYSA-N	314.374	1.875	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCCN2C)c2ccccc2n1	799006416	CMUGVZHKYDVUOI-HNNXBMFYSA-N	312.373	1.398	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	792789564	KXUORVXOKVKNIJ-LEWSCRJBSA-N	322.361	1.035	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)C[C@@H]1CCC(=O)[C@@H]1C	793773341	RXRIQBGWCAQZKM-MNOVXSKESA-N	304.346	1.922	50	20	DDGD	
O=C(c1cc(Br)ccc1F)N1CC[C@H](B(O)O)C1	585073588	CSHIFQDRMXQGPY-ZETCQYMHSA-N	315.935	1.277	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@H](F)Cc2ccccc2)c1Cl	1319899323	ABQGBNTWGUCDJG-SECBINFHSA-N	309.732	1.736	50	20	DDGD	
CC(=NNC(=O)C[N+](C)(C)C)c1ccc(-n2cccn2)cc1	1321515721	QAJLOKATPJLPBD-UHFFFAOYSA-O	300.386	1.419	50	20	DDGD	
CC(F)(F)C1(C(=O)NNC(=O)c2ccc(Cl)nc2)CC1	1328464963	GYCSLKWHJPDSFB-UHFFFAOYSA-N	303.696	1.931	50	20	DDGD	
CCCNC(=O)NN=Cc1sc(N2CCOCC2)nc1C	1320179697	XKCFEZHNMLIYAN-UHFFFAOYSA-N	311.411	1.331	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2n[nH]cc2C1)c1ccccc1Cl	1320213289	XNQAAOGUOJZBEU-VIFPVBQESA-N	318.764	1.629	50	20	DDGD	
C[N+](C)(C)CC(=O)NN=Cc1cc(O)cc(C(F)(F)F)c1	1324650603	YTAFMQMXJCMDRR-UHFFFAOYSA-O	304.292	1.567	50	20	DDGD	
C=C[C@@H](COC)NC(=O)NNc1ccc(F)c(C(=O)OC)c1	1328204049	MKXPYPPANAOXFI-VIFPVBQESA-N	311.313	1.439	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cccnc1SC(F)F	1322109599	UHBVZGCZRSMNNM-UHFFFAOYSA-N	320.390	1.914	50	20	DDGD	
COCC(=NNC(=O)C(=O)OC)c1cccc(C(F)(F)F)c1	1252511181	JFMCFDSWUYAWEU-UHFFFAOYSA-N	318.251	1.345	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H]1CCCCN1Cc1ccncc1	1324332767	YBVSKJMDKSASOA-OAHLLOKOSA-N	316.405	1.384	50	20	DDGD	
CC1=NO[C@](C)(C(=O)NNC(=O)c2ccc3ccccc3n2)C1	1338431584	NQQKTZKIUUQQCZ-INIZCTEOSA-N	312.329	1.551	50	20	DDGD	
CC(C)[C@@H]1C[C@H](C(=O)NNC(=O)CNc2ccccc2)CCO1	1333627870	ANORTVMNRZFICN-HIFRSBDPSA-N	319.405	1.697	50	20	DDGD	
Cn1ncc(C2CC2)c1C=NNC(=O)c1n[nH]c2c1CCCC2	1333701506	UYHUTBMIJBWHHU-UHFFFAOYSA-N	312.377	1.663	50	20	DDGD	
O=C(NCCCCC1CCCC1)NNC(=O)C1CCNCC1	1345143753	ZQHKVKMHNPMOQC-UHFFFAOYSA-N	310.442	1.677	50	20	DDGD	
CNc1cc(Cl)ccc1C(=O)NNC(=S)NC(C)C	1349777882	MESVAOIGNXTHKO-UHFFFAOYSA-N	300.815	1.899	50	20	DDGD	
CC[C@@H](F)C(=O)NNC(=O)c1ccc(Br)cc1	1347833930	RSXWXMDJLOGVFI-SECBINFHSA-N	303.131	1.958	50	20	DDGD	
C[C@@H](CBr)COC(=O)c1cccc(C(=O)O)n1	1609725557	HXUDSGODZKDACN-ZETCQYMHSA-N	302.124	1.968	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)C(=O)O)c(OCCC)c1	1609980179	PJBITHVMCFJWCY-UHFFFAOYSA-N	308.334	1.799	50	20	DDGD	
C[C@]1(COC(=O)Cn2cc(C(=O)O)cn2)C[C@@H]1Br	1604582759	KPUXFOATWNCTOP-GZMMTYOYSA-N	317.139	1.298	50	20	DDGD	
CC[C@@H](C)[C@H](NNC(=O)COc1ccccc1OC)C(=O)O	1604943590	GSYGXOHBEHDFIQ-YGRLFVJLSA-N	310.350	1.194	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNc1ccccc1C(=O)O	1601372353	OGPGDHCSGRVVIF-UHFFFAOYSA-N	310.313	1.718	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)O)O2)ccc1Cl	1600282043	ZMMAOMIWNWNXAI-GGZOMVNGSA-N	312.753	1.970	50	20	DDGD	
Cc1cc(NC(=O)NNc2cccc(C(=O)O)c2)c(=O)n(C)c1	1600271002	WXSZUQYSWWMPQL-UHFFFAOYSA-N	316.317	1.541	50	20	DDGD	
Cc1onc(CO)c1C(=O)NNc1cccc(F)c1C(=O)O	1600864195	LEDVDNQHLCGZDX-UHFFFAOYSA-N	309.253	1.070	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)[C@@H]1CCCOC1	1549904305	HMSOUXPQAZGDTI-IPYPFGDCSA-N	309.410	1.158	50	20	DDGD	
CC(CCCO)=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccnn1C	1549318497	ZWRAZSRUFCVXLK-OCCSQVGLSA-N	308.382	1.152	50	20	DDGD	
CCn1cc([C@H]2OCC[C@H]2C=NNC(=O)c2c[nH]nc2C)cn1	1552450086	SZKULFNIFLAPOI-FZMZJTMJSA-N	316.365	1.428	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@H]1C=NNC(=O)c1c[nH]nc1C	1552761394	UQYYFXCWOYMOAX-AAEUAGOBSA-N	316.365	1.428	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1ccc(C(=O)O)c(F)c1	1596931873	GOVXDXZQOOUTED-VIFPVBQESA-N	314.313	1.409	50	20	DDGD	
COc1cc(C)cnc1C(=O)NNc1ncccc1C(=O)O	1594057297	BAPUKJDPHQTELN-UHFFFAOYSA-N	302.290	1.249	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1nc(C(C)(C)C(=O)O)cs1	1598876674	YVLOQMUXMUCRFG-UHFFFAOYSA-N	316.339	1.240	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2ccc(O)cc2O)cc1	1776099298	ZHCISPNACHVYDC-UHFFFAOYSA-N	300.270	1.560	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=C1CC[C@@H](C(=O)O)c2ccccc21	1776102507	RHEHRIRRGHXZLJ-UMVBOHGHSA-N	316.357	1.894	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccc(OC)c(C(=O)O)c1	1776116252	VLNHAKBMGMGLIQ-XFFZJAGNSA-N	305.286	1.490	50	20	DDGD	
CC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)=O	1795442172	KPQSLDMASWWZLX-WRWGMCAJSA-N	300.786	1.231	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1	16123698	PTVYTJZQHUAMBE-UHFFFAOYSA-N	312.297	1.588	50	20	DDGD	
Cn1ccnc(NNC(=O)CCc2ccc(F)cc2F)c1=O	162373940	PGDZROGURJJZQS-UHFFFAOYSA-N	308.288	1.134	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2O)o1	158075853	ZRUZYUXKHYAWEP-UHFFFAOYSA-N	305.246	1.277	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)COCc2ccccc2)no1	158264501	QHBAQCJYJFXMEM-UHFFFAOYSA-N	317.345	1.776	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NNC(=O)C2(C)CC2)[nH]n1	151230399	ZBRMZPJJKMLFQQ-UHFFFAOYSA-N	314.345	1.646	50	20	DDGD	
Cc1nc(-c2ccccc2)ncc1C(=O)NNC(=O)c1ccc[nH]1	157205383	OHNAJUGHRJLBKD-UHFFFAOYSA-N	321.340	1.855	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNc2ncnc3nc[nH]c23)cn1	156240254	GCUJKQZHUPSIQX-UHFFFAOYSA-N	313.321	1.292	50	20	DDGD	
CC(=O)NCCNC(=O)NNc1cc(C(F)(F)F)ccc1F	154944785	MARMUWMSHQDFIR-UHFFFAOYSA-N	322.262	1.607	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	154832814	VYWAKSGTADCSLS-UTUOFQBUSA-N	307.843	1.882	50	20	DDGD	
Cc1ccc(F)c(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c1	102832474	NLBRNRCMQGPZGB-LLVKDONJSA-N	314.382	1.240	50	20	DDGD	
Cn1cc(/C=C/C(=O)NNC(=O)c2cccc3ncccc23)cn1	106812055	SKPZIQUWGKEMFB-BQYQJAHWSA-N	321.340	1.443	50	20	DDGD	
Cc1nccn1CCCC(=O)NNC(=O)CNc1ccccc1	104830155	DJGIOGWDBGYZOX-UHFFFAOYSA-N	315.377	1.231	50	20	DDGD	
CC1CCN([C@H](C)CNC(=O)NNC(=O)CC(C)(C)C)CC1	103311276	WFXJRVWOGROEAT-CYBMUJFWSA-N	312.458	1.873	50	20	DDGD	
COC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)c2ccccc2)C1	174368177	ICTCLEXCUUIKNY-OLZOCXBDSA-N	304.346	1.427	50	20	DDGD	
CCNC(=O)CCCC(=O)NNc1nc(-c2ccccc2)no1	104897559	JPHLUIMIEBZGLZ-UHFFFAOYSA-N	317.349	1.486	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)c1ccccn1	21124278	VYFDIGTZJXMUEY-UHFFFAOYSA-N	306.416	1.495	50	20	DDGD	
COCCC(=O)NNC(=O)c1cccc(Br)c1	174534446	SPYPRXAYVLAUSC-UHFFFAOYSA-N	301.140	1.247	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1	21770662	NDHYXMOBSPASPP-GFCCVEGCSA-N	319.361	1.434	50	20	DDGD	
CC(C)CC(=O)N[C@@H](C(=O)NNC(=O)N(C)C)c1ccccc1	170757743	CYERLKUOIDWKSR-CQSZACIVSA-N	320.393	1.192	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)CC[C@@H]2CCOC2)c1	177610639	PFDHBKLDBXZCLE-CQSZACIVSA-N	320.389	1.646	50	20	DDGD	
C[C@H](C(=O)NNc1nc(Br)cn2ccnc12)C1CC1	176193760	LVYBLEKSRLZZIM-ZETCQYMHSA-N	324.182	1.981	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NC[C@@H]1Cc2ccccc21	170887973	UXZFBRWSTZFBQG-AWEZNQCLSA-N	310.357	1.294	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1C[C@]12CCCc1ccccc12	173363569	NMWDDRTXUPBEAI-PBHICJAKSA-N	315.442	1.962	50	20	DDGD	
Cc1nc(Cl)ccc1C(=O)NNC(=O)c1cccc(C#N)c1	125122531	BFSBDLSWVSLUFA-UHFFFAOYSA-N	314.732	1.990	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)NCCC(C)C)cc1C	123949653	CBTSTSLVWALSFH-UHFFFAOYSA-N	320.393	1.618	50	20	DDGD	
Cc1ccc(-c2ncco2)cc1NC(=O)NNC(=O)CCO	127335098	GJZZDPSSCLVIEV-UHFFFAOYSA-N	304.306	1.185	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1ccc(OC(F)F)cc1	181416230	FDGHUSHTJRBFAV-UHFFFAOYSA-N	322.271	1.765	50	20	DDGD	
O=C(/C=C/c1ccc[nH]1)NNC(=O)c1cc(Br)c[nH]1	189626525	HEVRVLJWRBMFLR-ONEGZZNKSA-N	323.150	1.580	50	20	DDGD	
COC[C@@H](NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C)C1CC1	122552622	RVANMCDWYJNFSG-QHDPKREISA-N	312.373	1.653	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2cc(C)oc2C)c(O)c1	182783054	UHROGGWSJGUGNQ-UHFFFAOYSA-N	324.358	1.534	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2c(C)noc2C)c1	73315310	ALEBYRHAAHRRNE-UHFFFAOYSA-N	318.333	1.173	50	20	DDGD	
O=C(CCC1CCCC1)NCC(=O)NNc1ccnc(F)c1	182521715	NRPKAEUIBZRILY-UHFFFAOYSA-N	308.357	1.750	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCN1CCC[C@@H](C)C1	46382053	BHXVUHOIBUBLBH-CYBMUJFWSA-N	318.421	1.671	50	20	DDGD	
Cc1n[nH]nc1C(=O)NNc1ccccc1OC(F)(F)F	194546182	NNOHTZRSCWTVRM-UHFFFAOYSA-N	301.228	1.769	50	20	DDGD	
Cc1nc(CC(=O)NNC(=O)CCc2ccccc2)cs1	42522351	BQMYSTAKQREBNK-UHFFFAOYSA-N	303.387	1.774	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NC(C1CC1)C1CC1	45613518	BSIPBNATDWRKFK-UHFFFAOYSA-N	305.353	1.887	50	20	DDGD	
Cc1nc(Cl)ccc1NC(=O)NNC(=O)c1cccn1C	194710090	FTRCTTDPNFMNLK-UHFFFAOYSA-N	307.741	1.848	50	20	DDGD	
COC(=O)c1[nH]c(C)c(C(=O)NNC(=O)c2ccccc2)c1C	133942786	RNYXEPQMEKUVPA-UHFFFAOYSA-N	315.329	1.493	50	20	DDGD	
O=C(NNC(=O)c1cccc(O)c1O)c1cc2ccccc2o1	193127961	TVAXQULEDMJWKJ-UHFFFAOYSA-N	312.281	1.919	50	20	DDGD	
C=CCc1cc(/C=C(/C#N)C(=O)NCCOC)cc(OC)c1O	195288088	AZDUNLFQMQFHQS-ZROIWOOFSA-N	316.357	1.799	50	20	DDGD	
CC(C)C[C@H](C)OCCC(=O)NNC(=O)Cc1ccncc1	87357555	OYWFUQAVZWKNPS-ZDUSSCGKSA-N	307.394	1.613	50	20	DDGD	
CSc1ccc(S(=O)(=O)NNC(=O)c2ccc[nH]2)cc1	194862111	NOAPVXQMIOBTIF-UHFFFAOYSA-N	311.388	1.360	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)N2CCOCC2)c2ccccc21	194900918	KFVWXQLVNIGZMB-UHFFFAOYSA-N	316.361	1.348	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2ccc(N(C)C)cc2)c1	190040810	MEDGOZQBABTLRP-UHFFFAOYSA-N	313.361	1.538	50	20	DDGD	
O=C(CNC[C@@H]1CCCO1)NNc1ccccc1C(F)(F)F	237807939	VCKKFZXCSBTXDI-JTQLQIEISA-N	317.311	1.917	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cnn(C(C)C)c2C)n1	92213016	IPTVDXVJQCFBCU-UHFFFAOYSA-N	318.381	1.047	50	20	DDGD	
O=C(NN=Cc1c(Cl)cccc1Cl)C(=O)NC1CC1	252604186	FYCFALDRGDAPCH-UHFFFAOYSA-N	300.145	1.722	50	20	DDGD	
Cc1c(NNC(=O)CCNC(=O)C(C)(C)C)cccc1[N+](=O)[O-]	269594391	HMOSNWCVQYNFSR-UHFFFAOYSA-N	322.365	1.899	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cccc(N2CCCNC2=O)c1	267121277	JVFTXVZXFJKRBQ-UHFFFAOYSA-N	318.377	1.413	50	20	DDGD	
CC(C)N1C[C@@H](NC(=O)NNc2ccccc2Cl)CC1=O	267532370	AKBJVCRXOUYGBI-JTQLQIEISA-N	310.785	1.975	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1c[nH]nc1-c1c(F)cccc1F	269012246	LVJGWIYDYACHOC-UHFFFAOYSA-N	320.299	1.916	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NC[C@@H]1CCCCO1	263943983	RZFWMLHPPLEYPI-HNNXBMFYSA-N	319.405	1.909	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@H]1CSCCS1	268947169	HSIJEUGBGRDJHN-MRVPVSSYSA-N	312.445	1.983	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1nnn(C)c1C)c1ccccc1	265849393	AFEIINQWIOAGPC-LBPRGKRZSA-N	301.350	1.078	50	20	DDGD	
C[C@H]1CCC[C@@H]1NC(=O)NNC(=O)COc1ccccc1F	264416913	NAKGBHRHCVJWAE-JQWIXIFHSA-N	309.341	1.724	50	20	DDGD	
CO[C@@H](C)c1nc(CNC(=O)NNC(=O)C(C)(C)C)cs1	267783384	UQLDMGLRYWWTEF-QMMMGPOBSA-N	314.411	1.727	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1C[C@@H](C)O[C@H](C2CC2)C1	279678394	PPVHDMAVLOKHJP-DOMZBBRYSA-N	317.389	1.849	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1c(C)cccc1C	272378659	TVLSKRBSPSKOBG-GFCCVEGCSA-N	309.366	1.508	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)NOC1CCCC1	271728751	YEHFKIRCQPNARQ-UHFFFAOYSA-N	317.349	1.081	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)NC1CC1	274291946	COAAGHIRXJWYCN-RKDXNWHRSA-N	313.279	1.700	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CCCSC2)c1	272695556	XCPVLYGBXCTSGS-LBPRGKRZSA-N	309.391	1.995	50	20	DDGD	
CC[C@H](C)NC(=O)CCNC(=O)NNc1ccc(OC)cn1	276039689	XNEWAVJYABHDIF-JTQLQIEISA-N	309.370	1.021	50	20	DDGD	
CN1CCC(NC(=O)NNc2ccc3c(O)nccc3c2)CC1	287237472	SNUDUPPWRFJMHY-UHFFFAOYSA-N	315.377	1.661	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)NCc2ccco2)c(C2CC2)n1	281538924	IOHMPFNNELHSEB-UHFFFAOYSA-N	315.333	1.400	50	20	DDGD	
O=C1COc2ncc(C(=O)NNc3cc(Cl)ccn3)cc2N1	378493510	JYKBQAVDRMAEIQ-UHFFFAOYSA-N	319.708	1.218	50	20	DDGD	
C=CC[C@H](CC)NC(=O)NNC(=O)Cc1ccccc1OC	281288827	ILMGRBHXYHEMCY-ZDUSSCGKSA-N	305.378	1.923	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccoc1C(C)C	280433993	AIGMRPSKGMCPPD-UHFFFAOYSA-N	301.437	1.875	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2[nH]ccc2C)c1	281744583	JNBQHDLFSZUWBZ-UHFFFAOYSA-N	301.346	1.780	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cccc(O[C@@H](C)C(=O)O)c1	299333024	QIBSAUADPMDUGO-ZWSXMNCCSA-N	318.329	1.208	50	20	DDGD	
COc1ccc(NNC(=O)C[C@@H]2COc3ccccc3O2)nc1	294909581	BKIGZAHUPNXVFK-GFCCVEGCSA-N	315.329	1.763	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNc1ncccc1C(F)(F)F	806901337	JDPOAZVJYYCIKF-UHFFFAOYSA-N	312.251	1.765	50	20	DDGD	
CC(C)S(=O)(=O)CCNC(=O)NNc1ccc(Cl)nc1	291942362	VYDLCNVSJPAFDU-UHFFFAOYSA-N	320.802	1.184	50	20	DDGD	
CC[C@@H](C)[C@H](C)NC(=O)NNC(=O)COc1ccccc1F	299150199	FSVHEIZNYYBSOZ-MNOVXSKESA-N	311.357	1.970	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ccnc(F)c2)nc1Cl	807215853	FLTXMUNBLBPTCM-UHFFFAOYSA-N	309.688	1.125	50	20	DDGD	
O=C(COCc1cccnc1)NNc1cccc(F)c1[N+](=O)[O-]	805203418	FKIKBIJALMRGNQ-UHFFFAOYSA-N	320.280	1.789	50	20	DDGD	
CCCCCC[C@H](C)CC(=O)NNC(=O)N1CCN(C)CC1	807380862	TXKJCUSGNXZWFH-AWEZNQCLSA-N	312.458	1.971	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NNc2ccccc2S(C)(=O)=O)O1	800516090	CCGIJVIGICBDTG-GIPNMCIBSA-N	312.391	1.347	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C[C@H]1OC(=O)c2ccccc21	298289230	CDQQDSHYYCJWQO-LLVKDONJSA-N	306.318	1.844	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H]1CCN(c2ccccc2F)C1	293494155	SBUYKYULNVPSGP-LBPRGKRZSA-N	322.384	1.781	50	20	DDGD	
CSc1ccncc1NC(=O)C(=O)NNc1cccc(F)n1	807391009	DSHXGMZPIJJGGF-UHFFFAOYSA-N	321.337	1.419	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cccc2c1CCCC2	295684051	YJUAEVONBUNHJX-HNNXBMFYSA-N	302.374	1.896	50	20	DDGD	
CCc1noc2ncc(C(=O)NNC(=O)[C@@H]3CC[C@H](C)O3)cc12	294190179	KIQKSOPXEQUVJI-UFBFGSQYSA-N	318.333	1.114	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(S[C@@H]2CCOC2=O)cc1	296928084	AWXSNJXRGXLGSU-CYBMUJFWSA-N	324.402	1.317	50	20	DDGD	
Cn1cncc1C(=O)NNC(=O)c1c(Cl)cccc1Cl	809663729	XBVHNDYUOCUVQE-UHFFFAOYSA-N	313.144	1.802	50	20	DDGD	
COCCN(C)NC(=O)Cc1nc(-c2ccsc2)oc1C	808074079	XCZNPHMBJOTSKS-UHFFFAOYSA-N	309.391	1.863	50	20	DDGD	
N#Cc1cccc(NNC(=O)NCc2cnc3n2CCCC3)c1	807262328	UYUWTDRWLORTBZ-UHFFFAOYSA-N	310.361	1.917	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@H]1CCCSC1	809933361	DCASZDUXMHJMBE-NSHDSACASA-N	324.402	1.365	50	20	DDGD	
COCCc1ccccc1NC(=O)NNC(=O)[C@@H]1CCCCO1	297924240	VBRYPQAVCVOONV-AWEZNQCLSA-N	321.377	1.597	50	20	DDGD	
CCOC1CC(C(=O)NN=c2sc3ccccc3n2C)C1	806275209	YIAGJKMNISMLFK-UHFFFAOYSA-N	305.403	1.987	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)CSc2ccc(C#N)cc2)O1	294285723	PXWCDFUTSOPFNQ-GWCFXTLKSA-N	319.386	1.365	50	20	DDGD	
CN(NC(=O)c1ccc(-n2cnnc2)cc1)C(=O)OC(C)(C)C	297732661	RMSWPAXTEONQKW-UHFFFAOYSA-N	317.349	1.779	50	20	DDGD	
O=C(NCCc1cn2ccccc2n1)NNc1ncccc1F	804900191	PMRMLJNOHVKONK-UHFFFAOYSA-N	314.324	1.737	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cc(Cl)nc(C(F)(F)F)c1	818033670	AWKULIMHLRBQPZ-UHFFFAOYSA-N	307.659	1.925	50	20	DDGD	
O=C(NNc1ncncc1F)Nc1nnc(-c2ccco2)s1	814613398	MLNTVIYHVKDFSI-UHFFFAOYSA-N	321.297	1.876	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CCc2ccon2)c1	816805694	FVRXMLMATMTDDV-UHFFFAOYSA-N	303.318	1.142	50	20	DDGD	
CC(=NNC(=O)c1cc(Br)c[nH]1)c1c[nH]nc1C	814780048	FHVKOVIFZQDWSK-UHFFFAOYSA-N	310.155	1.963	50	20	DDGD	
Cc1nc(-c2ccccc2)ccc1C(=O)NNc1cnnn1C	816770988	UEUREODKKZAXAS-UHFFFAOYSA-N	308.345	1.942	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cc(O)ccc1Cl	810468994	ZRFXDWDXKHWUGG-UHFFFAOYSA-N	305.721	1.444	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCCCCC1)c1cc(CO)on1	812224677	HPISRPPVYSTHCM-LBPRGKRZSA-N	322.409	1.519	50	20	DDGD	
CC(C)c1ccc(CCC(=O)NNC(=O)c2ccnnc2)cc1	817693969	QOXQACZXGLIKBK-UHFFFAOYSA-N	312.373	1.994	50	20	DDGD	
CC(=NNC(=O)N=c1cc[nH]cc1)c1cc([N+](=O)[O-])ccc1N	815000728	MYNQULJEORPBBA-UHFFFAOYSA-N	314.305	1.540	50	20	DDGD	
N#CCSc1ccccc1C(=O)NNc1ncncc1F	817083748	RUCKBUJINAFPPZ-UHFFFAOYSA-N	303.322	1.988	50	20	DDGD	
Cc1nnc(CCNC(=O)NNc2ncncc2Cl)s1	811924541	WOOYQGAGWVKJHB-UHFFFAOYSA-N	313.774	1.159	50	20	DDGD	
COc1cc(C(=O)NNc2ncncc2F)cc2c1O[C@H](C)C2	817067925	SNDXXPBJAUEYMU-MRVPVSSYSA-N	318.308	1.705	50	20	DDGD	
CN(C)C(=O)NNS(=O)(=O)/C=C/c1ccccc1Cl	727362283	PVCODWLDXKUMBU-BQYQJAHWSA-N	303.771	1.416	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H](C)Cc1cnc2ccccc2n1	814734355	JSNMRDZHUOTNHR-LLVKDONJSA-N	300.362	1.612	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](c2ccc(CC)cc2)C1	814640836	ULSWATXPKPMPLT-BBRMVZONSA-N	317.433	1.984	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1cc(Cl)nc(Cl)c1)C(C)C	819740879	AGFOFJFTVBQKTB-LLVKDONJSA-N	319.192	1.992	50	20	DDGD	
Cc1ccc(F)c(CN(C)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	827272457	AGKSEKZJSLGXJB-YPMHNXCESA-N	323.368	1.732	50	20	DDGD	
Cn1cccc1C(=O)NN=C1CC(NC(=O)OC(C)(C)C)C1	495788905	TXSZVTATKNZPGW-UHFFFAOYSA-N	306.366	1.798	50	20	DDGD	
CCC[C@@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C(=O)OC	490913106	YLBDPUMKHOOHMW-FWLQQBITSA-N	302.330	1.757	50	20	DDGD	
COC(=O)C(C)(C)CCNC(=O)/C(C#N)=C/c1cnn(C)c1	491137439	XOKWPIJWAYGTOZ-KPKJPENVSA-N	304.350	1.033	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)ccc1C(=O)NN(C)c1ccccc1	826249033	INYWJUMQAZISEF-UHFFFAOYSA-N	308.345	1.956	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNc1cnnc2ccccc12	491538928	BCFMQXIHMJHLBQ-UHFFFAOYSA-N	317.349	1.598	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1csc(Cc2ccccc2)n1	823970943	NDZHYQQPCMYTBW-LLVKDONJSA-N	305.403	1.691	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCC[C@H](N3CCCC3)C2)cn1	823179951	BKGOIBTUYYFSFX-TYWAAFNRSA-N	313.405	1.414	50	20	DDGD	
O=C(Cc1cccc(O)c1)NNc1ccc(-c2nn[nH]n2)cc1	826423306	IKGDNDMLHXBMPV-UHFFFAOYSA-N	310.317	1.258	50	20	DDGD	
O=C(CCCn1cccc1)NNc1cccc(-c2nn[nH]n2)c1	826406824	OVJTWRIKAIGZGW-UHFFFAOYSA-N	311.349	1.592	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)[C@@H]1CC12CCSCC2	825954556	WQSSCCLLUJLTCQ-QMMMGPOBSA-N	304.379	1.329	50	20	DDGD	
COCC(=NNC(=O)CNC(=O)OC(C)(C)C)C1CCCC1	495497642	MTXGTPMZCXHKFH-UHFFFAOYSA-N	313.398	1.820	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CCN(C)[C@@H]2C)c([N+](=O)[O-])c1	827053756	SQXAUSQOFGQEHC-MWLCHTKSSA-N	308.338	1.387	50	20	DDGD	
COc1ccc(NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1	729273548	WTGOOJZXPPBLMI-UHFFFAOYSA-N	324.340	1.699	50	20	DDGD	
CN(C)C(=O)NN=C[C@H](CC(F)F)NC(=O)OC(C)(C)C	497104161	AZMJGWKNQOGYSK-QMMMGPOBSA-N	308.329	1.792	50	20	DDGD	
C[C@]1(C(=O)NC[C@H]2CCCN2CCCO)C[C@H]1Br	908527831	WOQKWEIEOXKRJU-WZRBSPASSA-N	319.243	1.123	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cc2cnccc2[nH]1)C1CC1	824446670	PNMMIPUYQXAUPF-QMMMGPOBSA-N	303.391	1.470	50	20	DDGD	
CC(C)(C)N1CC[C@H](NC(=O)NNc2cccc(C#N)c2)C1=O	827366030	XRUZOSXNMXYYIR-ZDUSSCGKSA-N	315.377	1.584	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)C[C@@H]1CC[C@H]2C[C@H]12	825756151	JUPVUAQRGMGBKO-IHRRRGAJSA-N	302.374	1.908	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1	826268798	OBPMMBSPXUQYGX-UHFFFAOYSA-N	301.285	1.399	50	20	DDGD	
COCCOC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(F)cc1	490876401	KEBATMAXCPVZEO-IGVUGNCQSA-N	306.337	1.900	50	20	DDGD	
COc1ncccc1C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	738146277	RFGUOTLVBHSUAX-UHFFFAOYSA-N	318.241	1.916	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H]1CC(c2cc(C)ccc2C)=NO1	900392181	DNRQBUKZIIWVBS-AWEZNQCLSA-N	318.377	1.537	50	20	DDGD	
CCc1noc(C)c1C(=O)NNc1cccc(-c2nn[nH]n2)c1	825771906	VAWJNJKTMSXBCX-UHFFFAOYSA-N	313.321	1.482	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)C1CCC1	732140634	GQKVEJWGTYCSHV-GFCCVEGCSA-N	307.394	1.115	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H]2SCCc3ccccc32)cc1	585026967	VETZRYOBSCTZKW-KRWDZBQOSA-N	313.231	1.487	50	20	DDGD	
O=C(NN=C1CCc2cc(F)ccc21)[C@@H]1CCS(=O)(=O)C1	734297086	SCIWGTCSPVNBSE-SNVBAGLBSA-N	310.350	1.027	50	20	DDGD	
CCN(C[C@@H](O)C(F)(F)F)C(=O)/C(C#N)=C\c1cnn(C)c1	491103704	LOYBXVUEUPJOAT-NEOSZVFXSA-N	316.283	1.099	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1ccnc(F)c1	732303556	JLXLIHKBIHMPRR-UHFFFAOYSA-N	309.322	1.381	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2ccc3c(c2)nnn3C)c(O)c1	737429822	DZPKIUALQXEHTP-UHFFFAOYSA-N	309.329	1.746	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(C)[C@@H](c1ccccc1)c1nc[nH]n1	909483121	XXMGKOCYJNRAIN-UELRPHRMSA-N	311.345	1.796	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1NC(=O)NNC(=O)[C@H]1COc2ccccc2O1	838761262	NCTPMVAEHGVKPV-MISXGVKJSA-N	319.361	1.201	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)[C@@H]1C[C@H]2CC[C@H]1O2	834952070	KSVNDLRJNZSWJF-GRYCIOLGSA-N	321.402	1.538	50	20	DDGD	
CC[C@H](C)[C@H](NNC(=O)CCOc1ccccc1)C(=O)OC	905754863	IANMEYDKPFSQKM-WFASDCNBSA-N	308.378	1.664	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)C(C)(C)S(C)(=O)=O	836933286	CGWGEYKMKTUGKV-UHFFFAOYSA-N	304.799	1.915	50	20	DDGD	
Cn1c(CC(=O)NN=CCCc2cnoc2)nc2ccccc21	834927083	ZSZLISDYFWDPQK-UHFFFAOYSA-N	311.345	1.839	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NN=c1sc2ccccc2n1C	839455865	IDDXLWNYJSQDLB-SNVBAGLBSA-N	320.418	1.319	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)cc1C	908325638	WKARPJLTBHWHLJ-VHDGCEQUSA-N	316.357	1.840	50	20	DDGD	
CC1=NO[C@](C)(C(=O)NNC(=O)c2ccc(Cl)cc2F)C1	903701026	KOJGGHGESJBGKI-ZDUSSCGKSA-N	313.716	1.795	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C/c1ccc(N2CCC(O)CC2)cc1	905068753	JAYGMDNDAOYBTL-NTCAYCPXSA-N	311.385	1.857	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cccc2c1CCO2	831764420	YKPYFUVGUICERD-UWVGGRQHSA-N	305.334	1.199	50	20	DDGD	
Cn1ncc2c1CCCC2=NNC(=O)COCc1ccccc1	737436895	LJKQOHCMZKYFHR-UHFFFAOYSA-N	312.373	1.794	50	20	DDGD	
CC(C)c1ccc(NNC(=O)[C@@H](C)N2CCN(C)CC2)cc1	837054200	MROYYBLDKZPXNZ-CQSZACIVSA-N	304.438	1.889	50	20	DDGD	
C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cc(B(O)O)ccc1F	584989775	JDUQLJPLVURSBI-NEPJUHHUSA-N	321.201	1.792	50	20	DDGD	
CS[C@H]1CCCC(=NNC(=O)CNC(=O)c2cccnc2)C1	901200075	XAJOYOGYTSZMDF-ZDUSSCGKSA-N	320.418	1.589	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCC2(CCCC2)CC1	584998436	PXCDNSDDRKCDCS-UHFFFAOYSA-N	305.158	1.302	50	20	DDGD	
COCCn1ccc(NC(=O)[C@@]2(C)C[C@H]2Br)n1	906501438	LLRNXSLVTSZQFV-KCJUWKMLSA-N	302.172	1.642	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCOCC2)cc1)[C@H]1CCCCO1	834990415	QFRNYHXGQWQTET-MRXNPFEDSA-N	317.389	1.542	50	20	DDGD	
O=C(NNc1cccnn1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	736710792	MXCJFDJREFMFHW-JTQLQIEISA-N	315.308	1.112	50	20	DDGD	
C[C@@]1(C(=O)NCCCC(=O)NC2CC2)C[C@H]1Br	906230468	ZEUMUQPDNZQTBG-BXKDBHETSA-N	303.200	1.335	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCCO1)c1nc2ccccc2n1C	834988921	OIRBNSVDPUOBGU-AWEZNQCLSA-N	300.362	1.983	50	20	DDGD	
C[C@H](Cc1c(F)cccc1F)NCc1ccccc1B(O)O	585017426	XDPAFXDPJYFOFR-LLVKDONJSA-N	305.133	1.365	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1scnc1C1CC1	831588642	HGWWVEZLGRKBOQ-CBAPKCEASA-N	310.379	1.598	50	20	DDGD	
O=S(=O)(CCl)N[C@@H]1CCN(c2ccc(F)cc2F)C1	830419418	UPHDRYHINSWQQE-SECBINFHSA-N	310.753	1.659	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)[C@H]1CCC[C@@H](C(=O)O)C1	833184342	QBQMXDBYJKOEAH-WDEREUQCSA-N	314.345	1.964	50	20	DDGD	
OB(O)c1ccccc1CNC1CC(OCc2ccccc2)C1	585037251	WYUVATYXLYWIDR-UHFFFAOYSA-N	311.190	1.204	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@@](C)(O)C2CC2)c(F)c1	837207401	MTBAGRAZUCQAGB-OAHLLOKOSA-N	310.325	1.607	50	20	DDGD	
CCCC[C@@H]1CCC[C@@H]1NC(=O)c1cc(B(O)O)ccc1F	584939244	HTNKERSULAETQE-ABAIWWIYSA-N	307.174	1.594	50	20	DDGD	
C=CCOC(=O)/C(C#N)=C\c1ccc(OC)cc1OCC(=O)O	734483254	KAKMVEQNQQQMBI-GHXNOFRVSA-N	317.297	1.795	50	20	DDGD	
CCn1cc(C=NNC(=O)c2cc(Br)c[nH]2)cn1	732528767	XYCQSTNXAPCXNC-UHFFFAOYSA-N	310.155	1.758	50	20	DDGD	
Cc1onc(-c2ccc(F)cc2)c1C(=O)NN(C)C[C@@H](C)O	910169614	FGKDYHHGUYLYSX-SECBINFHSA-N	307.325	1.747	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1nc2c(s1)CCC2	836223748	ZYZOPCYQPNFSCT-VIFPVBQESA-N	310.379	1.354	50	20	DDGD	
Cc1cc(C)c(NC(=O)NNC(=O)c2cc(C)[nH]n2)c(C)n1	836633820	ZNLOKQOWAZTLCG-UHFFFAOYSA-N	302.338	1.505	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)[C@H]2CCCCO2)CC1(Cl)Cl	836587879	CQLRFYJLHQIOIP-KCJUWKMLSA-N	324.208	1.470	50	20	DDGD	
COc1ccc(CCC(=O)NN=C(C)c2cnn(C)n2)cc1	834944225	KZNOCNPBCWDOBA-UHFFFAOYSA-N	301.350	1.297	50	20	DDGD	
CC(C)c1ccc(NNC(=O)CCCN2C(=O)CNC2=O)cc1	837058936	XHGAODLIDKYRBW-UHFFFAOYSA-N	318.377	1.585	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=C1COc2ccc(F)cc21	747638153	JILWRJYQYBVBMF-UHFFFAOYSA-N	324.315	1.929	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2C[C@H]2c2ccccc2F)n1	838757355	MZRXEHWRECAYBX-CMPLNLGQSA-N	317.324	1.807	50	20	DDGD	
CN(C)c1ccc(CNC(=O)NNC(=O)CC(F)(F)F)cc1	918000253	GNNROJGAUKZJBV-UHFFFAOYSA-N	318.299	1.535	50	20	DDGD	
COc1ccc(C(=O)NN(C)C[C@H](C)O)c(Br)c1	910165829	ODAXRUTXVDEOTF-QMMMGPOBSA-N	317.183	1.415	50	20	DDGD	
C[C@]1(C(=O)NCc2nc(C(N)=O)cs2)C[C@@H]1Br	912513900	KZUFUQYLCWRUJC-WKEGUHRASA-N	318.196	1.032	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H]1CCN(C)[C@H](C)C1	745858229	NVRZCXNQIBUMRT-VXGBXAGGSA-N	320.393	1.122	50	20	DDGD	
C[C@H](C(=O)NNC(=O)NC1CCCCC1)C(=O)OC(C)(C)C	840237915	SFFDHWYLAUPSHZ-SNVBAGLBSA-N	313.398	1.627	50	20	DDGD	
CC(C)=CCC[C@@H](C)CC(=O)NNC(=O)CN1CCCC1=O	913733499	LDZNMXCLXJBYMN-CYBMUJFWSA-N	309.410	1.529	50	20	DDGD	
CC(C)c1ccccc1NC(=O)NN(C)C(=O)N1CCNCC1	841005351	OOBVYJFFJGORNL-UHFFFAOYSA-N	319.409	1.804	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@@H]1CS[C@H](C)C1	840420178	QZMDIHGTZTVSPL-YPMHNXCESA-N	307.419	1.762	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)NC[C@@H]2CCCN2)cc1	841937319	PNKVKBFSKJNCNF-AWEZNQCLSA-N	318.421	1.680	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CC[C@@H](CN)C2)c1	842010336	KJHREBCTHPYZEO-PWSUYJOCSA-N	306.366	1.227	50	20	DDGD	
C#CCOc1ccc(C=NNC(=O)[C@H](C)OCCOC)cc1	748252241	CFHRBZHZSBLHIO-ZDUSSCGKSA-N	304.346	1.200	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)[C@H]1Cc2ccccc21	742032935	CYQRJXVTIVSKST-ZDUSSCGKSA-N	314.316	1.692	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1ccc(OC)c(F)c1	740762151	CJIPLGLMVBWHLX-UHFFFAOYSA-N	323.368	1.979	50	20	DDGD	
COc1ccc(OCC(=O)NN=C2CCCn3ccnc32)cc1	848400744	OUTULJDSNHPFPC-UHFFFAOYSA-N	314.345	1.585	50	20	DDGD	
O=C(NCC[C@@H]1CCNC1)NNC(=O)c1cccc(Cl)c1	841939246	UHCXZTBIGPAHEJ-JTQLQIEISA-N	310.785	1.284	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCCCN1CCC[C@H](C)C1	916504180	WHLXXMNXHMGDEL-AWEZNQCLSA-N	312.458	1.875	50	20	DDGD	
Cc1cccc(NNC(=O)CCN2CCN(C(C)C)CC2)n1	912982108	MTNRNSDRLCLZRR-UHFFFAOYSA-N	305.426	1.249	50	20	DDGD	
COc1ccc(Br)c(NNC(=O)[C@H](C)N(C)C)c1	840551483	UTHYVSOMRNPDRU-QMMMGPOBSA-N	316.199	1.851	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1ccc2[nH]ccc2c1	843662679	SDIPXKHUOAFRGL-RISCZKNCSA-N	315.373	1.673	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H](CN)C2CCCCC2)n1	841941043	VZWYQPYONVOHHZ-GFCCVEGCSA-N	322.413	1.327	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H]1C[C@H]1CC(C)(C)C	843844996	CKEMACZRFNOQQE-VHSXEESVSA-N	303.497	1.917	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)c2ccccc21)NC1CCCC1	743531994	JORUUYOMNNMSHW-UHFFFAOYSA-N	321.402	1.810	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)COC/C=C/c1ccccc1	843652092	HSLZYCQUSJTPTD-FFAUQURTSA-N	318.373	1.289	50	20	DDGD	
CCOCCC1(C(=O)NNC(=O)c2ncccn2)CCCC1	841350798	SVBWFFSXBONSGW-UHFFFAOYSA-N	306.366	1.225	50	20	DDGD	
N#Cc1csc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1	752400807	VLSVTLUKQHOCQA-UHFFFAOYSA-N	315.310	1.423	50	20	DDGD	
CC(C)n1ccnc1C=NNC(=O)c1ccnc(N(C)C)c1	853306199	SLKDSXTVUROQJA-UHFFFAOYSA-N	300.366	1.689	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1cccc(O)c1	750938796	ORTRYHKBWANXKI-UHFFFAOYSA-N	301.302	1.255	50	20	DDGD	
C[C@]1(CNC(=O)CCOCC(F)F)C[C@@H]1Br	857390584	GBXMIJXCNSNLPI-OIBJUYFYSA-N	300.143	1.948	50	20	DDGD	
C[C@H](C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)C1CCCC1	750167169	PUGXBTWUMAZKEA-WCQYABFASA-N	302.440	1.305	50	20	DDGD	
CNC[C@H](C)NC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	851679905	FPOFFGRHBZYYIY-GVMDUPDNSA-N	322.453	1.531	50	20	DDGD	
Cc1ccc(/C=C\C(=O)NNC(=O)OCC(F)(F)F)cn1	856022369	AJZPEKXTZJMFIV-PLNGDYQASA-N	303.240	1.723	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=C1CC[C@H](C)c2ccccc21	752733327	IHWLXNLUOFAHPB-QWRGUYRKSA-N	323.418	1.342	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccccc1-n1nc(C)cc1C	755665841	IUCIOIKTBIYHTP-UHFFFAOYSA-N	317.349	1.288	50	20	DDGD	
C[C@@](O)(CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)C1CC1	755396798	BBGVGLXDWJKYGK-FQWGAIOXSA-N	320.433	1.901	50	20	DDGD	
COC(=O)c1cnc(NC[C@@]2(C)C[C@H]2Br)nc1	856786588	HKTPPLXFEBWPBI-LDYMZIIASA-N	300.156	1.849	50	20	DDGD	
CC(=O)N[C@H](CC(C)C)C(=O)NNc1ccccc1[N+](=O)[O-]	858105517	PSHYBDJIZAAIPI-GFCCVEGCSA-N	308.338	1.589	50	20	DDGD	
C[C@H]1C[C@H](C(=O)O)CCC1=NNC(=O)c1cccc(C(=O)O)c1	853426486	NBPTYONDRSEOCD-JOYOIKCWSA-N	318.329	1.991	50	20	DDGD	
C[C@@H]1Cc2cc(C(=O)NNC(=O)[C@@H]3CCCCO3)ccc2O1	854682902	HKYTVUMCLJAKIS-YGRLFVJLSA-N	304.346	1.340	50	20	DDGD	
CC1(CNC(=O)NC[C@]2(C)C[C@H]2Br)CCNCC1	857104455	SSZNCYJYXGFALD-MFKMUULPSA-N	318.259	1.849	50	20	DDGD	
C[C@@]1(CNC(=O)CN2CCCCC2=O)C[C@@H]1Br	857399226	QTMUSGCOSWELAE-CABZTGNLSA-N	303.200	1.289	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2c(C(F)(F)F)n[nH]c2C)o1	752781365	PQJLVZRDNIVEDP-UHFFFAOYSA-N	316.239	1.713	50	20	DDGD	
Cc1ccc(NNC(=O)CS(=O)(=O)C(C)(C)C)cc1F	856230017	FHYDKMCUJQHWSR-UHFFFAOYSA-N	302.371	1.791	50	20	DDGD	
COC(=O)c1cc(C(=O)NC[C@@]2(C)C[C@@H]2Br)on1	857393938	JVBHSUGMANYIAV-GZMMTYOYSA-N	317.139	1.365	50	20	DDGD	
C[C@@H](NS(C)(=O)=O)C(=O)NN=C[C@@H]1CCCC(C)(C)C1	752735179	UNLPQSZOJUEBBS-GHMZBOCLSA-N	303.428	1.243	50	20	DDGD	
Cn1c(C(=O)NNC(=O)c2cccc3ccccc23)cccc1=O	757019575	OEGIIXNDDWPSAH-UHFFFAOYSA-N	321.336	1.613	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1ccc2c(c1)NC(=O)CO2	755515957	OSURQHWAIGIZAH-UHFFFAOYSA-N	320.349	1.606	50	20	DDGD	
COCCCNC(=O)NN=Cc1cc(OC)c(OC)cc1C	751526525	NXYCLALXSCQXBG-UHFFFAOYSA-N	309.366	1.682	50	20	DDGD	
C[C@@H](NNC(=O)c1cccc(C(=O)N(C)C)c1)C(F)(F)F	862312975	VWTUHIDNRYSMFE-MRVPVSSYSA-N	303.284	1.574	50	20	DDGD	
CC(=O)CCCCCCNS(=O)(=O)CBr	867441849	KKROKIHXGUDKFV-UHFFFAOYSA-N	300.218	1.798	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCC(=O)N1)c1ccc(OC(F)F)cc1	863145501	JYDPZRONFPNIOT-LLVKDONJSA-N	311.288	1.407	50	20	DDGD	
CC(C)(C(N)=O)C(=O)NNc1cc(C(F)(F)F)ccc1F	768105193	KXJDCFWZCIZBAY-UHFFFAOYSA-N	307.247	1.799	50	20	DDGD	
Cc1cccc(Cl)c1NC(=O)NNC(=O)[C@H]1CCC(=O)N1	860943559	BVXFTJJJQNBPHH-SECBINFHSA-N	310.741	1.080	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc(C(N)=O)c(Cl)n1)C(F)(F)F	862319440	FDEDQHKKJZTEJG-SCSAIBSYSA-N	310.663	1.019	50	20	DDGD	
CC1(C)OCc2cc(C=NNC(=O)[C@H]3CCC(=O)N3)ccc2O1	863153408	TZRGCRRXXLXOFR-GFCCVEGCSA-N	317.345	1.060	50	20	DDGD	
OB(O)c1ccccc1CNc1ccc(N2CCCC2)c(F)c1	863890092	JMUXMVAWDBPKNU-UHFFFAOYSA-N	314.169	1.718	50	20	DDGD	
C[C@@H](NNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C(F)(F)F	862305799	WOVLFRGEXQGETK-SSDOTTSWSA-N	320.271	1.846	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NC[C@H]1CCN(C2CC2)C1	866483576	INNHFMMORUYBCO-LLVKDONJSA-N	308.875	1.655	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H]2CC(=O)NNC(=O)C1CCCC1	760333365	WAQCXZKEPBNUED-LBPRGKRZSA-N	318.373	1.899	50	20	DDGD	
CCO[C@@H](CC(=O)NNC(=O)COCc1ccccc1)C(C)C	760559584	HHYBWPUFTZHDFQ-HNNXBMFYSA-N	322.405	1.802	50	20	DDGD	
COc1c(Cl)cccc1NC(=O)C(=O)NNc1cnccn1	766260189	LCLBUKUMXYIFTO-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)C(=O)Nc1ccsc1	862103934	CSLKLTYIPOXBKG-UHFFFAOYSA-N	317.239	1.505	50	20	DDGD	
CCc1cccnc1C(=O)NNc1ccccc1S(C)(=O)=O	767088828	PEWFDKHNHGDWOD-UHFFFAOYSA-N	319.386	1.804	50	20	DDGD	
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)C(C)C	765370216	STIBSJKTQNGCMA-LBPRGKRZSA-N	307.350	1.967	50	20	DDGD	
C[C@@H](O)C[C@H]1COCCN1S(=O)(=O)CC(C)(C)CCl	867115283	PBVJLKYWFOAYAT-MNOVXSKESA-N	313.847	1.053	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1ccc([N+](=O)[O-])cc1	767395994	IRJPBEREJZKCJU-UHFFFAOYSA-N	301.306	1.709	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)NNc1cccc(C)n1)C2	862518399	RJNSOXPPEKIHGA-AVGNSLFASA-N	316.361	1.476	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(C(C)(C)C)nn1)c1ccn(C)n1	1117961518	VPMOLAVIKZABNA-JTQLQIEISA-N	317.397	1.895	50	20	DDGD	
Cc1nc[nH]c1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	873780949	ISUXKDQRUSWWIM-UHFFFAOYSA-N	302.378	1.696	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@H]2CCOC3(CCOCC3)C2)cc[nH]1	875397389	XGEMDHROIHSZQV-AWEZNQCLSA-N	320.393	1.166	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H](C)c1ccc2c(c1)OCO2	1117697889	QHINLMWLNOIDCF-VIFPVBQESA-N	309.391	1.423	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)c2ccc(OC)cc2)cn1	1117101016	UONSMYLGMNELDG-UHFFFAOYSA-N	300.318	1.207	50	20	DDGD	
COc1cc(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)ccn1	1116947764	QPZNOSYYTKUXPY-UHFFFAOYSA-N	322.271	1.835	50	20	DDGD	
Cc1cc(C)nc(NC(=O)C(=O)NNc2ccc(Cl)nc2)c1	773663519	CIDHMRFZONMGRS-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(Cl)c(C(N)=O)c1	878228292	YLPUUQYIPQFGTO-UHFFFAOYSA-N	300.746	1.054	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CCC[C@H]2C(=O)O)C[C@H]1Br	872883642	QYPLHAXJSLSQGY-MFYTUXHUSA-N	304.184	1.777	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(Br)nc1C	879098868	DISLFPVXWWXCFM-UHFFFAOYSA-N	317.187	1.767	50	20	DDGD	
Cc1nnc(O)c(CNC(=O)NNC(=O)CC(C)(C)C)c1C	1116089093	XMADREXAOGDWNN-UHFFFAOYSA-N	309.370	1.066	50	20	DDGD	
CC1(C)CC(=NNC(=O)CCO)c2cc([N+](=O)[O-])ccc2O1	1117132800	OBHSDOYAFZMKAT-UHFFFAOYSA-N	307.306	1.359	50	20	DDGD	
CCNC(=O)c1cccc(NC(=O)NNc2ncccn2)c1	775460237	RZKGPERVHVAXHV-UHFFFAOYSA-N	300.322	1.375	50	20	DDGD	
N#CSCCCNC(=O)c1cn(Cc2cccs2)nn1	773586498	FQIPDSONFUMDLS-UHFFFAOYSA-N	307.404	1.722	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccccc1OC(F)(F)F	779823386	OOJLRPJBLIUAQC-UHFFFAOYSA-N	319.239	1.391	50	20	DDGD	
C=C1CCC(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1	887628593	XBOKGEPFKXMIFO-HNNXBMFYSA-N	316.357	1.720	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2nccnc2Cl)cn1C1CC1	774418534	HPJGIAIMEJTCIC-UHFFFAOYSA-N	319.752	1.692	50	20	DDGD	
Cc1ncc(NC(=O)C(=O)NNc2c(F)cccc2F)s1	773706249	ZHRCCGMLIRJEGM-UHFFFAOYSA-N	312.301	1.812	50	20	DDGD	
CCOCCONC(=O)NNC(=O)c1ccc(Cl)cc1F	773520049	DNYASEADUQKBBG-UHFFFAOYSA-N	319.720	1.391	50	20	DDGD	
CC(C)CC1CCN(C(=O)NNC(=O)c2cccnn2)CC1	883851656	XEIYWINGHNCKSZ-UHFFFAOYSA-N	305.382	1.589	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)Cc2ccccc2F)o1	772243388	FBVPCFXGZAAFBH-UHFFFAOYSA-N	304.277	1.625	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1csc(Br)n1	887150661	RYYXRRWBKOWIDV-UHFFFAOYSA-N	316.180	1.470	50	20	DDGD	
COc1ccc(CCNS(=O)(=O)CCCCl)cc1O	882512973	IGXJNSQGJUPNPQ-UHFFFAOYSA-N	307.799	1.492	50	20	DDGD	
O=C(CN1CCC[C@@H](CF)C1)NNC(=O)c1ccc(F)cc1	880232771	FKSGHMOWRYNFLZ-NSHDSACASA-N	311.332	1.268	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCC(=O)NC1(C#N)CCCCC1	786674876	YEFSPDJDPAVAAJ-MDWZMJQESA-N	301.346	1.732	50	20	DDGD	
O=S(=O)(CCCCCl)NC[C@@H](CO)Cc1ccccc1	780785989	DLRFKRIWCMUEKK-AWEZNQCLSA-N	319.854	1.776	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1c[nH]nc1-c1c(F)cccc1F	785461616	SDAGQQQQORDSFP-UHFFFAOYSA-N	308.288	1.576	50	20	DDGD	
O=C(NNc1cccnn1)C(=O)Nc1cc(F)cc(Cl)c1	784858913	YUZCDERINFWCOB-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1ncncc1Cl)C1CCCC1	781818926	QYTNKFXVLLRTLC-NSHDSACASA-N	311.773	1.268	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCC(C)(C)C#N)cc1	781953782	NFKHXWSPIGLORT-UHFFFAOYSA-N	304.350	1.254	50	20	DDGD	
COC1(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)CCC1	781558920	BIIMZNUGPKTYIE-UHFFFAOYSA-N	306.406	1.919	50	20	DDGD	
O=S(=O)(CCCCl)NCc1ccnc(OC(F)F)c1	882169832	YLPAYNRWVGAEIE-UHFFFAOYSA-N	314.741	1.731	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CCN2C(C)(C)C)c([N+](=O)[O-])c1	897048608	SGASVQMOIXXVAU-GFCCVEGCSA-N	322.365	1.919	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)SCCN(C)Cc1ccccc1	788510204	XAZHXEYLGSRGTJ-ZDUSSCGKSA-N	323.462	1.798	50	20	DDGD	
CN1CCCC[C@@H](CNC(=O)NNC(=O)CC(F)(F)F)C1	897545822	UJDRSULYSRFGNJ-VIFPVBQESA-N	310.320	1.001	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccccc2S(N)(=O)=O)c(O)c1	788230225	KANXDHBOFRDIMP-UHFFFAOYSA-N	321.358	1.105	50	20	DDGD	
CC[C@@H]1C[C@H](CC(=O)NNC(=O)NCC(F)(F)F)CCO1	781680919	UCSZXLWQYCMVCD-RKDXNWHRSA-N	311.304	1.474	50	20	DDGD	
CO[C@]1(C(=O)NC[C@]2(C)C[C@H]2Br)CCSC1	893069564	DIOWXVUGGPYIEU-DVVUODLYSA-N	308.241	1.798	50	20	DDGD	
Cn1ccc(CCC(=O)NNC(=O)c2cccc3ccccc23)n1	794347995	QJZQRYSBRJMTME-UHFFFAOYSA-N	322.368	1.967	50	20	DDGD	
O=C(O)CCOc1ccc(C=NNC(=O)[C@@H]2CCOC2)cc1	792649970	DKCCNJNHFAHWJA-GFCCVEGCSA-N	306.318	1.027	50	20	DDGD	
CSc1c(F)cccc1C(=O)NNc1ncnc2[nH]cnc12	798110568	IQGHPURERLQJIM-UHFFFAOYSA-N	318.337	1.971	50	20	DDGD	
CC(=NNC(=O)CCN1CCCCCC1)c1cc(C)n(C)n1	799872245	NTXZUXLPQIPOEG-UHFFFAOYSA-N	305.426	1.835	50	20	DDGD	
COCC(=O)NN=Cc1c(C)nn(-c2ccccn2)c1Cl	794918758	KJCWFLSFPCEKDV-UHFFFAOYSA-N	307.741	1.326	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)c1cccc(C)n1)OCO2	794567596	VZGLEVGOSWDTIU-UHFFFAOYSA-N	313.313	1.891	50	20	DDGD	
O=C(NNC(=O)c1cccc2nn[nH]c12)c1ccccc1Cl	1320574579	WAIQRYCUKABCKD-UHFFFAOYSA-N	315.720	1.686	50	20	DDGD	
C=C[C@@H](COC)NC(=O)NNc1cccc(C(=O)OC)c1F	1324995954	ZOUUXOJPKDGZHD-VIFPVBQESA-N	311.313	1.439	50	20	DDGD	
C[C@H](c1ccccc1)n1cc(NC(=O)NNC(=O)CCO)cn1	1326062576	LCOLCTCDQDJTLK-LLVKDONJSA-N	317.349	1.028	50	20	DDGD	
COc1nc(Cl)c(/C=C(\C#N)C(=O)[C@H]2CCCOC2)n1C	1321543193	YQEQRPJGUUXDDM-CMWXKVOJSA-N	309.753	1.985	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNc1cncc(Br)c1	1320540420	POSHMDYRPICJDV-GMSGAONNSA-N	300.156	1.712	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(N2CCN(C)CC2)c(C)c1	1320112860	LWOHZARDYFOWPI-UHFFFAOYSA-N	319.409	1.310	50	20	DDGD	
C[C@H]1COCC[C@@H]1CNC(=O)NNc1nncc(N)c1Cl	1258353371	FMSLEAJQWBGUAB-JGVFFNPUSA-N	314.777	1.011	50	20	DDGD	
O=C(NNc1ncccn1)[C@H]1CCCCN1Cc1ccncc1	1338807765	SWYBQVDFSLUUMW-CQSZACIVSA-N	312.377	1.369	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Nc1ccc(Cl)cc1)[C@H]1CCC(=O)N1	1330003008	ICNQMIJUDKXGFH-GZMMTYOYSA-N	324.768	1.407	50	20	DDGD	
COCCC(COC)=NNC(=O)c1cncn1-c1ccccc1	1330055434	MPGZJGPJFGINBP-UHFFFAOYSA-N	316.361	1.641	50	20	DDGD	
Cc1ccc(C)c2c1NC(=O)C2=NNC(=O)C1CCOCC1	1333664294	GJMFXAHRUXKSJK-UHFFFAOYSA-N	301.346	1.502	50	20	DDGD	
Cc1ccc2cccc(NC(=O)C(=O)NNc3cccnn3)c2n1	1343340499	MAQRZDKYAMQSOZ-UHFFFAOYSA-N	322.328	1.415	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cccc(OC(C)(C)C)c1	1515853365	RJRQQUXOYDKIMR-UHFFFAOYSA-N	307.350	1.360	50	20	DDGD	
C[C@@]1(C(=O)NCC2(C#N)CCOCC2)C[C@@H]1Br	1514976879	CSHLLZZVZXBPHT-GXSJLCMTSA-N	301.184	1.596	50	20	DDGD	
O=C(O)[C@H](C(=O)NNc1cccc([N+](=O)[O-])c1)C1CCCC1	1605898138	LPJAUZYGALLFQB-LBPRGKRZSA-N	307.306	1.929	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccc(CC(=O)O)cc1	1609666991	HKNCGTFTIQKOGB-UHFFFAOYSA-N	309.322	1.875	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)N[C@@H]2CO[C@@H](C3CC3)C2)cc1	1602127855	CCPXAOQSHHAPER-UONOGXRCSA-N	319.361	1.507	50	20	DDGD	
Cc1cc(=NNC(=O)NCc2ccccc2CC(=O)O)cc[nH]1	1600282466	ASLBSOPFEAQGHA-UHFFFAOYSA-N	314.345	1.265	50	20	DDGD	
CCc1nnc(NC(=O)NNc2ncccc2C(=O)O)s1	1603992740	HJCZPXMWOXGDCL-UHFFFAOYSA-N	308.323	1.342	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)c1cnc(C(=O)O)cn1	1605340397	BKBCVPHMCKUHRQ-UHFFFAOYSA-N	306.709	1.894	50	20	DDGD	
CC(C)(C(=O)O)n1cc(NC(=O)NNc2cccc(F)n2)cn1	1603286859	UQGWKCYFHZCUCK-UHFFFAOYSA-N	322.300	1.386	50	20	DDGD	
C[C@H](C(=O)O)N(Cc1ccccc1)S(=O)(=O)CCCCl	1607451648	GBGZXNCGTJANGP-LLVKDONJSA-N	319.810	1.920	50	20	DDGD	
O=C(O)c1cc2n(n1)CCCC2=NNC(=O)c1cccc(F)n1	1608866634	LXCZNGJJLCEHAU-UHFFFAOYSA-N	317.280	1.043	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1cc(-c2nn[nH]n2)ccc1NC	1609239439	KHIPOPGNIDHAAE-NTMALXAHSA-N	313.321	1.291	50	20	DDGD	
CN(NC(=O)CSCc1ccc(-c2nn[nH]n2)cc1)C1CC1	1609281515	KHOCEBBUWNYUCA-UHFFFAOYSA-N	318.406	1.225	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)c(F)c1)N[C@@H]1CCn2ccnc21	1601555155	VLFBUQKQSGIKCA-LLVKDONJSA-N	319.296	1.492	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)Nc1cncc(C(=O)O)c1	1605821224	XVBKKBNPSZVKCO-UHFFFAOYSA-N	309.232	1.602	50	20	DDGD	
CCc1ccc(C(C)=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)cc1	1549315360	MVFNTBSSQHUYNR-IRXDYDNUSA-N	315.417	1.952	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccc3nccnc3c2)nc1	1610835871	JSNVXUDSNHQPBK-UHFFFAOYSA-N	309.285	1.480	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC#N)C2	1800070321	CSGAIJLSZRDQHF-YVECIDJPSA-N	311.813	1.946	50	20	DDGD	
O=C(O)[C@H]1CCC[C@H](C(=O)NNc2cnc3ccccc3n2)C1	1610741094	NIBHZPOBTWIYIJ-QWRGUYRKSA-N	314.345	1.964	50	20	DDGD	
CC(C)(C)[C@H](N)CC(=O)NNc1cc(O)nc2ncccc12	1575113523	VOXQRLLKVLFSIG-LLVKDONJSA-N	303.366	1.542	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CC2(CCNCC2)C[C@H]1C	1575522314	JLFDMEFQYLAPGW-KGLIPLIRSA-N	324.469	1.032	50	20	DDGD	
COc1ccc(Br)c(NNC(=O)[C@@H](C)C(=O)O)c1	1574611371	JUIQWFPEUZGZEK-ZCFIWIBFSA-N	317.139	1.622	50	20	DDGD	
NCCc1ccc(C(=O)NNC(=O)Cc2ccc(F)cc2)cc1	1580315163	IVHOEKVLNIILSB-UHFFFAOYSA-N	315.348	1.331	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)Cc2cc[nH]n2)C1	1845827575	LJJNSWDXTHRSCG-LBPRGKRZSA-N	324.812	1.173	50	20	DDGD	
CSCC1(CC(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1	1591695905	MVBNUKYOQMDJQD-UHFFFAOYSA-N	318.406	1.843	50	20	DDGD	
CC(C)CCC(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1	1841353767	OPKJPOATKNVOJI-LBPRGKRZSA-N	316.829	1.226	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)[C@H]1C	1590333464	FBRYHKNBQGCQKA-XHSYRHOGSA-N	316.365	1.369	50	20	DDGD	
COc1coc(C(=O)NNc2cccc(C(=O)O)c2)cc1=O	1599727535	GCKQEBKNVCHFQB-UHFFFAOYSA-N	304.258	1.104	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1cccn2c(C(=O)O)cnc12	1776115565	CUPNPZIEHUYNPF-YRNVUSSQSA-N	315.285	1.129	50	20	DDGD	
O=C(O)Cn1cc(C=NNC(=O)c2cc[nH]n2)c2ccccc21	1776092099	XQMZDUZJFQKWIB-UHFFFAOYSA-N	311.301	1.213	50	20	DDGD	
CCN(CC)S(=O)(=O)CC(=O)NNc1cc(C)cc(C)c1	158800367	JUGUIACMPKNELW-UHFFFAOYSA-N	313.423	1.418	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H]1CCCN(CC(F)(F)F)C1=O	157205930	WPTPDDIGSKNKQK-TTZKWOQHSA-N	319.283	1.100	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H](C)OC[C@H]2CCCO2)c1	155798274	YKBKKZSVDUAWIN-GXFFZTMASA-N	312.341	1.862	50	20	DDGD	
O=C(CN1CC[C@H]2OCCC[C@@H]2C1)NNC(=O)c1cccs1	155399894	QTJHPLWDVZZIQS-VXGBXAGGSA-N	323.418	1.010	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)c(C)s1	156869076	HTVSXXSVQVQSKX-UHFFFAOYSA-N	321.358	1.149	50	20	DDGD	
CCCN(CCNS(=O)(=O)CCl)C(=O)OC(C)(C)C	830944985	SRQUZWLWJOHACG-UHFFFAOYSA-N	314.835	1.749	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)COc1ccccc1C#N	8301785	QBWWUMSTMAQYSA-UHFFFAOYSA-N	306.391	1.231	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1Cc1ccccc1)c1ccccn1	50024873	KBQXCMWMWZRWPS-INIZCTEOSA-N	324.384	1.507	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@@H]1CCc2ccc(F)cc21	106576644	QMSGBKOFAKUIFR-GFCCVEGCSA-N	302.309	1.785	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2CCc3cc(F)ccc32)n1	56840385	XLHBRPIYKXMRBL-GFCCVEGCSA-N	317.324	1.938	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCc2ccccn2)c2ccccc21	9798589	MVKBJSSCIUPJKU-UHFFFAOYSA-N	323.356	1.718	50	20	DDGD	
Cc1cccc(NNC(=O)c2ccc(CS(N)(=O)=O)cc2)c1	171774457	QAJCHBFUHFAQHN-UHFFFAOYSA-N	319.386	1.540	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2ccc3c(c2)CCC3)n1	174496354	QCBSEEUUAZGSJQ-UHFFFAOYSA-N	312.373	1.968	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(C(C)C)nn2C)n1	174471161	UXSHVUYKEQEMQA-UHFFFAOYSA-N	304.354	1.407	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN(C)CC2CCCC2)n1	64020837	ILXAHVYGWXGURL-UHFFFAOYSA-N	324.450	1.263	50	20	DDGD	
Cc1ccc(C)c(OCCC(=O)NNC(=O)NCC2CC2)c1	65197551	JVRLADABWDAEFW-UHFFFAOYSA-N	305.378	1.813	50	20	DDGD	
CC(=O)c1ccc(S(=O)(=O)NNC(=O)CC(C)(C)C)cc1	103060329	OTQFISMRPNDAOF-UHFFFAOYSA-N	312.391	1.635	50	20	DDGD	
CCNC(=O)CCCC(=O)NNC(=O)[C@H](CC)c1ccccc1	111630626	ACNBAMVRBDYOOY-CQSZACIVSA-N	319.405	1.634	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H](C)c2cn(C)nc2C)n1	69334419	VIBPTIXAGWLOTP-SNVBAGLBSA-N	303.370	1.523	50	20	DDGD	
Cc1ccccc1[C@@H](C)CC(=O)NNC(=O)N1CCOCC1	172286749	WLRLSIATSHIBBV-ZDUSSCGKSA-N	305.378	1.562	50	20	DDGD	
CS(=O)(=O)CCCC(=O)NNc1cc(F)c(F)c(F)c1	175505171	GZGUOTMPUWPTEO-UHFFFAOYSA-N	310.297	1.372	50	20	DDGD	
CCO[C@@H](CCNC(=O)NNC(=O)Cc1ccncc1)C(C)C	177564820	VAGTURIPPGKCDE-AWEZNQCLSA-N	322.409	1.406	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1	66601944	DBMXSUFGGHQWDW-VXGBXAGGSA-N	311.426	1.511	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N1CCCC[C@@H]1C	66888965	LKCUVYCDWKRFHT-NSHDSACASA-N	315.377	1.872	50	20	DDGD	
NC(=O)COc1ccccc1C(=O)NNc1c(F)cccc1F	118511789	FSXHBBSPONNTBV-UHFFFAOYSA-N	321.283	1.586	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(Cl)c(F)c1)N1CCN(C)CC1	175422119	WXDAEEOHLAXQAJ-JTQLQIEISA-N	314.792	1.558	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(F)cc(Cl)c2O)[nH]n1	120075120	CVLUXGWSMBKIPC-UHFFFAOYSA-N	312.688	1.291	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=S)NCC(F)(F)F	69306725	VWEQUFLXNXLCHG-UHFFFAOYSA-N	321.324	1.261	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCCCNC(C)=O)cc1	63737465	YLMWUQLJAAASJV-PTNGSMBKSA-N	315.373	1.635	50	20	DDGD	
CN(C)C(=O)CCCC(=O)NNc1ccc2ccccc2n1	181076611	NLONZLBRDAAYEU-UHFFFAOYSA-N	300.362	1.936	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1ccc(C(=O)NC2CC2)cc1	182460415	UXPHHFUQXKLXEO-UHFFFAOYSA-N	314.320	1.870	50	20	DDGD	
Cn1cc(NC(=O)NNC(=O)Cn2ccc3ccccc32)cn1	183227162	WTAGICGOMYDMTB-UHFFFAOYSA-N	312.333	1.228	50	20	DDGD	
N#Cc1cccc(NNC(=O)NCCCO[C@@H]2CCOC2)c1	127687018	JFIWRNCDCPVBLB-CQSZACIVSA-N	304.350	1.380	50	20	DDGD	
CN(CC(=O)NNc1ncc(F)cn1)c1ccccc1[N+](=O)[O-]	122895506	BXLWGRBCAGURRC-UHFFFAOYSA-N	320.284	1.103	50	20	DDGD	
CS[C@H](C)CC(=O)NNC(=O)c1cc(Cl)ccc1O	123054318	YKHVTVUARYYHGD-SSDOTTSWSA-N	302.783	1.948	50	20	DDGD	
O=C(O)/C=C/c1ccc(S(=O)(=O)NCC(Cl)Cl)cc1	311912715	CKFCYZAXTQYICF-ZZXKWVIFSA-N	324.185	1.866	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)c2ccc(C)o2)c1	129592831	LEIPLWSHTJSOMN-UHFFFAOYSA-N	301.302	1.296	50	20	DDGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NC[C@H](C)O)c1C	127071209	RJYNGYYAMGRWCM-GGKDNFRLSA-N	319.405	1.716	50	20	DDGD	
Cn1nnc2cc(C(=O)NNc3cc(F)c(F)cc3F)cnc21	183432665	SOLVAOUPJUINEL-UHFFFAOYSA-N	322.250	1.538	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cnn(-c2ccccc2)c1	70775555	FHISNEGNBKTAMT-LLVKDONJSA-N	322.390	1.228	50	20	DDGD	
COCCNC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	42843155	JJZYGGWYBKAILA-UHFFFAOYSA-N	309.410	1.570	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc(F)c(Cl)cc1F	134446952	SCJNYQNDDVOVSD-UHFFFAOYSA-N	303.696	1.972	50	20	DDGD	
Cn1c(=O)[nH]c2cc(C(=O)NNc3ccc(F)cc3)ccc21	130034791	XLJKXVCNGSGQEX-UHFFFAOYSA-N	300.293	1.763	50	20	DDGD	
CCCC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1ccc(C)o1	84374216	GIDOOABOEMEGHR-NSHDSACASA-N	307.350	1.140	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3cccn3C)[nH]n2)o1	193141206	XDUAJUZUFYQEHQ-UHFFFAOYSA-N	313.317	1.391	50	20	DDGD	
CC(C)c1cnc(NC(=O)C(=O)NNc2ccnc(F)c2)s1	190829517	ASKFCOSGLJMYOW-UHFFFAOYSA-N	323.353	1.882	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1ccc(N(C)CC)nc1	190227391	SLORMTJRJVBKHN-PTNGSMBKSA-N	316.405	1.987	50	20	DDGD	
O=C(C[C@H](O)c1cccc(F)c1)NNc1nc2ccccn2n1	191912098	YHGQQJOMUMOAIF-LBPRGKRZSA-N	315.308	1.435	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)c1ccccc1O)c1ccccc1	141386858	CNSKWBKLHNPWQV-OAHLLOKOSA-N	314.341	1.931	50	20	DDGD	
O=C(COc1ccc(F)c(Cl)c1)NNC(=O)c1ccncc1	192697294	BUPTXKXOPDHGGU-UHFFFAOYSA-N	323.711	1.714	50	20	DDGD	
C=CCSCCNC(=O)NNC(=O)CCOc1ccccc1	144700336	LXOKLOUVRBGQBJ-UHFFFAOYSA-N	323.418	1.705	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cccnc1Cl	94121210	APCDRYUKEQIFDB-UHFFFAOYSA-N	304.828	1.207	50	20	DDGD	
Cc1nc(C(C)(C)C)sc1C(=O)NNc1nc(=O)c(C)n[nH]1	149661076	IHADZPSQBDVCHK-UHFFFAOYSA-N	322.394	1.293	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)C1=Cc2cc(F)ccc2OC1	90090735	PERCSQOSSISRDG-UHFFFAOYSA-N	301.277	1.391	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc(N2CCCC2=O)cc1	264663576	FBRDWELDSSOTTG-UHFFFAOYSA-N	301.346	1.375	50	20	DDGD	
O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NNC(=O)NC1CC1	265513667	AWDJCRHXAKWMNE-UHFFFAOYSA-N	312.713	1.284	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC1CCN(C(=O)CC(C)C)CC1	269479173	NTJGXAPNSODDRY-ACCUITESSA-N	307.394	1.584	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cc(OC)c(OC)cc1C(N)=O	269487740	RGYRUJAIMYBKEU-CMDGGOBGSA-N	319.317	1.185	50	20	DDGD	
Cn1ccc(CNC(=O)NNC(=O)C(C)(C)c2ccccc2)c1	267081095	NBORWXOQHVYXNF-UHFFFAOYSA-N	314.389	1.833	50	20	DDGD	
O=C(CSc1nccc2ccccc12)NNC(=O)NC1CC1	268903328	XDMIKELFKQZXPN-UHFFFAOYSA-N	316.386	1.820	50	20	DDGD	
CCOC(=O)NCCC(=O)NNC(=O)[C@H](CC)c1ccccc1	264760225	MNOXRGYFFADJIC-CYBMUJFWSA-N	321.377	1.464	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CC[C@H](CC)O2)c1	268253729	PXOOHUYSHPDWGD-KBPBESRZSA-N	317.414	1.943	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=S)Nc1ccc(OC)nc1	269487939	NNZNULQFESYCKG-SECBINFHSA-N	314.436	1.549	50	20	DDGD	
CC(C)CN1N=C(C(=O)NNc2cccc(F)n2)CCC1=O	367338848	FYXGULUFHAHESH-UHFFFAOYSA-N	307.329	1.298	50	20	DDGD	
COCCCNC(=O)NNC(=O)C[C@H](C)c1ccc(OC)cc1	267383830	SOSIJJWZBJZJPG-LBPRGKRZSA-N	323.393	1.556	50	20	DDGD	
CC(C)[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2F)CCO1	271504921	LDQSLUBGJGAKNB-SMDDNHRTSA-N	323.368	1.973	50	20	DDGD	
CCCOCC(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	278565516	RARUCVFYLTYNGH-SNVBAGLBSA-N	314.769	1.681	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)NC1CC(F)(F)C1	277518217	RJJVIBBAGKTUFS-UHFFFAOYSA-N	308.288	1.910	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)COc2ccccc2F)CCCOC1	272592888	CUJHPMSIWQBKBZ-HNNXBMFYSA-N	310.325	1.169	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)/C=C/c2nnc(C(C)C)o2)n1	279774610	HWZJPOHKKNXEBT-BQYQJAHWSA-N	315.333	1.371	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1C(=O)NNC(=O)NC1CCCC1	277057736	JNYLHFWZIPULBZ-UHFFFAOYSA-N	322.321	1.490	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNC(=O)C[C@@H]1C=CCCC1	274981778	GGCMXPWFSFJQKT-LLVKDONJSA-N	321.402	1.372	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2(c3ccccc3C)CCC2)[nH]n1	276586924	ZGVCIIDQLVYSQA-UHFFFAOYSA-N	312.373	1.909	50	20	DDGD	
CC(=O)NNC(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1	274168613	GXMIRGPSYACFBL-NSHDSACASA-N	316.144	1.654	50	20	DDGD	
Cc1nc(COc2cccc(C(=O)NNC(=O)C3CC3)c2)no1	270201221	GJMXWOFWLMFHSN-UHFFFAOYSA-N	316.317	1.128	50	20	DDGD	
NNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1F	270215836	KOYDNWBPGZTXDC-HERUPUMHSA-N	323.343	1.728	50	20	DDGD	
COC(=O)c1cccc(CC(=O)NNC(=O)OC(C)(C)C)c1	270238467	QLFVPZAMXKYGLI-UHFFFAOYSA-N	308.334	1.572	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccccc1O[C@H]1CCOC1	273230118	RGTZMWZONCEQRN-NSHDSACASA-N	305.334	1.417	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccc2c(c1)CCCC(=O)N2	273441219	YJGGXMNUPTVXTD-UHFFFAOYSA-N	316.361	1.914	50	20	DDGD	
COC(=O)c1coc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c1	274803355	PHNPQVMXQFEVAX-DJTWPOEFSA-N	304.302	1.268	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@H]1CCCN1C1CC1	279232096	GKSLXPYFFHNNEK-GFCCVEGCSA-N	308.313	1.804	50	20	DDGD	
COCCC[C@H](C)C(=O)NNC(=O)c1cccc(OC)c1O	272173341	HMWTYTMOTZEICH-JTQLQIEISA-N	310.350	1.225	50	20	DDGD	
CC1(C)CC[C@H]1NC(=O)NNC(=O)COc1ccccc1C#N	288046595	OUNBCMIUVKDCLH-CYBMUJFWSA-N	316.361	1.456	50	20	DDGD	
CCCc1nc(C(=O)NNC(=O)Cc2ccccc2OC)co1	282168810	HVWJODSQDUYKCC-UHFFFAOYSA-N	317.345	1.639	50	20	DDGD	
CCc1occc1C(=O)NNC(=O)[C@H]1COc2ccccc2O1	280336408	GLCYPUUEPUFARQ-CQSZACIVSA-N	316.313	1.443	50	20	DDGD	
O=C(NCc1noc2c1CCCC2)NNc1ncccc1F	288288190	FRBYRQIDPUHHLX-UHFFFAOYSA-N	305.313	1.914	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)[C@@H]2CCCc3ccccc32)CC1	288126080	YUKVJQQHPASWGS-OAHLLOKOSA-N	316.405	1.095	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NNc1ncnc2ccsc12	286831103	USVUMELWCOAZQO-LLVKDONJSA-N	319.390	1.535	50	20	DDGD	
CCN(CCOCCO)/C(=C/C#N)c1cccc([N+](=O)[O-])c1	282008257	JIWJQRFONCFBNX-GIDUJCDVSA-N	305.334	1.790	50	20	DDGD	
Cc1cc(NNC(=O)c2cn(C3CC3)c(C)cc2=O)nc(C)n1	287941457	KCVORKBVLFVEPL-UHFFFAOYSA-N	313.361	1.655	50	20	DDGD	
C[C@@H](C(=O)NNc1nccnc1C1CCC1)N1CCSCC1	287336904	YLKYNOLSPJKQPK-NSHDSACASA-N	321.450	1.625	50	20	DDGD	
O=C(CCNC(=O)OCC(F)(F)F)NNc1cccc(F)n1	286588353	NWPVTLPAHWJCEO-UHFFFAOYSA-N	324.234	1.342	50	20	DDGD	
COc1ncc(C)cc1NC(=O)C(=O)NCCSSC	285287193	PLLCGWFDZHAHRX-UHFFFAOYSA-N	315.420	1.465	50	20	DDGD	
Cc1c(Cl)cccc1C(=O)NNC(=O)N=c1cc[nH]cc1	802025394	DSZUOSWXPQQYKB-UHFFFAOYSA-N	304.737	1.932	50	20	DDGD	
CCOC(=O)CCCNC(=O)NNc1cccc(NC(C)=O)c1	296946507	CBBFRIPWNSSLPI-UHFFFAOYSA-N	322.365	1.614	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)c2ccnn2C)c1	802114322	ZURNJDCZZJEQMO-UHFFFAOYSA-N	323.740	1.549	50	20	DDGD	
C=CCC(C)(C)C(=O)NNC(=O)CNC(=O)c1cccs1	293130244	SDQSBSUYUFOYLI-UHFFFAOYSA-N	309.391	1.228	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(-n2ccnc2)nn1)C(F)(F)F	804958188	NOEQRAGSQSEUHI-ZETCQYMHSA-N	300.244	1.304	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H]2CSc3ccccc32)O1	294191914	KJNCPYXIWRYEIU-DLOVCJGASA-N	306.387	1.591	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@@H](O)Cc1cccc(F)c1	296495446	BLTDNPZGYXDDDA-LBPRGKRZSA-N	311.357	1.106	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21	299400209	MSNYCVWGSNBSOA-UHFFFAOYSA-N	318.333	1.743	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)O1	293915177	APORXNQWFWNGAB-PRAYIBQGSA-N	324.327	1.783	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)C(C)(C)Oc2ccc(F)cc2)O1	293965243	RJJBTZQAMDNGDF-GWCFXTLKSA-N	324.352	1.698	50	20	DDGD	
O=C(NCCCN1CCCCC1=O)NNc1ncccc1F	805082495	OMNRXERMKXSRSQ-UHFFFAOYSA-N	309.345	1.249	50	20	DDGD	
CCC[C@@H]1C[C@H](C(=O)NNC(=O)N=c2cc[nH]cc2)CCO1	802035320	FDFUDLVTKSKJFO-DGCLKSJQSA-N	306.366	1.252	50	20	DDGD	
CN1CCCC(C)(C)[C@@H]1CNC(=O)NNc1ncccc1F	805394666	VDEXLRUHFDKIPT-LBPRGKRZSA-N	309.389	1.967	50	20	DDGD	
O=C(Cc1nc(-c2ccccc2)cs1)NNC(=O)NC1CC1	806983218	STNFWTHQYJBJRN-UHFFFAOYSA-N	316.386	1.845	50	20	DDGD	
Cn1cncc1CC(=O)NNC(=O)c1cccc(OC(F)F)c1	806787817	PJOVIEAWLWTMTC-UHFFFAOYSA-N	324.287	1.025	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cccc(OC)n2)cc1	802054278	FHMLYXQDKUQFCI-UHFFFAOYSA-N	316.317	1.565	50	20	DDGD	
Cc1cc(C(=O)NNc2ncccc2F)ccc1-n1cnnn1	804214523	JWAJQFSQFHIINA-UHFFFAOYSA-N	313.296	1.262	50	20	DDGD	
Cc1ccn(CC(=O)NNc2ccc([N+](=O)[O-])cc2C)c(=O)c1	805378688	SZEHFIWJITZSMW-UHFFFAOYSA-N	316.317	1.517	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C	807620869	RSPCHWWOHGJWLF-ZFWWWQNUSA-N	318.421	1.636	50	20	DDGD	
CCC[C@@H]1C[C@H]1C(=O)NNC(=O)CNc1cccc(OC)c1	812455470	HQQJSQIURPEYBR-BXUZGUMPSA-N	305.378	1.691	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)Cc2ccco2)cc1	812733128	ZEVHLEHWQMZNGO-UHFFFAOYSA-N	323.374	1.216	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@H]1CCCSC1	810007501	JYSOINJIYXWIKN-NSHDSACASA-N	323.418	1.398	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCCO[C@@H](C(C)C)C1	815312839	KRXROIIKKJSXFT-UONOGXRCSA-N	313.442	1.315	50	20	DDGD	
O=C(O)CCCCCNC(=O)NNC(=O)c1ccccc1F	819401199	DAJQBIFFZWZZMJ-UHFFFAOYSA-N	311.313	1.415	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2cc(C)nc(C)c2)n1	817784974	GJSVMOOHNWQTKZ-UHFFFAOYSA-N	302.338	1.323	50	20	DDGD	
Cn1ncc(C=NNC(=O)[C@@H]2COc3ccccc3O2)c1Cl	814701448	ZBEVXMMGBHYXIS-LBPRGKRZSA-N	320.736	1.364	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccccc1NC(=O)C1CC1	815881459	OTIJFTIBEAVUAO-UHFFFAOYSA-N	315.308	1.721	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cc(Br)c[nH]1)C(C)(F)F	814800065	YDMAHYSEQPJBHS-RXMQYKEDSA-N	324.125	1.830	50	20	DDGD	
O=C(CCOc1ccccc1)NN=C1CCS(=O)(=O)CC1	814823598	MRQSHWXNYNRQFU-UHFFFAOYSA-N	310.375	1.136	50	20	DDGD	
COc1ccnc(NNC(=O)c2conc2C(F)(F)F)n1	816860051	VPXBPPSRKWGRMM-UHFFFAOYSA-N	303.200	1.249	50	20	DDGD	
COC(=O)Cc1occc1C(=O)NNc1nc2ccccc2[nH]1	810793459	IMRCHYQFMBYPJX-UHFFFAOYSA-N	314.301	1.628	50	20	DDGD	
O=C1CCCCC[C@@H](C(=O)NNC(=O)NCC(F)(F)F)C1	813559145	YEAGXMKTMZHBBY-MRVPVSSYSA-N	309.288	1.419	50	20	DDGD	
Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NN(C)C1CC1	818095876	FNSPQHAJBZWBJP-UHFFFAOYSA-N	317.437	1.878	50	20	DDGD	
CN(C)C1CCC(NC(=O)NNc2ncc(F)cc2F)CC1	817792039	NABLIIBVFUEVNN-UHFFFAOYSA-N	313.352	1.859	50	20	DDGD	
COC1([C@H](C)NC(=O)NCCSSC)CCOCC1	817166945	DEGJDAJZCWYCIK-JTQLQIEISA-N	308.469	1.881	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21	820079830	USYFWGBLJOLKPO-IOLPLDSISA-N	311.385	1.677	50	20	DDGD	
CCOC(=O)Nc1scnc1C(=O)NN=c1cc[nH]cc1	495907538	XCFJLCVXEVSMEV-UHFFFAOYSA-N	307.335	1.285	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)CN1[C@@H](C)CC[C@H]1C	822727560	CQXWYXWZDBXOSS-PHIMTYICSA-N	323.368	1.928	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1	822782161	PNXUCSWUYOGFBI-VIFPVBQESA-N	306.149	1.377	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2(CN(C)C)CC2)cc1F	823435519	QRZJZMMVDJPHEE-UHFFFAOYSA-N	309.341	1.397	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@H](OC1CCCC1)c1ccccc1	726941326	GEYJILGIYRYAIM-CQSZACIVSA-N	305.378	1.989	50	20	DDGD	
CN(NC(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1)C1CC1	824026825	YCKSDSWEWNIHIK-UHFFFAOYSA-N	316.361	1.466	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C2(C)CCOCC2)cc1C	726765541	PAXQPRROTJWEOA-UHFFFAOYSA-N	320.389	1.646	50	20	DDGD	
CC(C)c1cc(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)on1	826010371	PCBGTWBIJAJBBW-KOLCDFICSA-N	310.354	1.053	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CCC1	824851615	AZMOEFGFCWICND-UHFFFAOYSA-N	312.333	1.128	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H]1CSCN1C(=O)OC(C)(C)C	491005109	ATFVKJOXNSYJRY-SECBINFHSA-N	317.411	1.100	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1ccc(F)cc1F	825808474	YJJWGTCNZHPENK-KWQFWETISA-N	313.304	1.220	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)/C=C\[C@H]2CCOC2)cc1	492951834	GGRCKNIMXVPTAC-JNWMYZIBSA-N	305.334	1.441	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCSc1ccccc1	825534655	RNRQWKUKZDFVSD-DGCLKSJQSA-N	323.418	1.534	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)NNc1ccc(F)cc1)C2	496930362	XJGBFZOBOPEFRN-BPNCWPANSA-N	319.336	1.912	50	20	DDGD	
C[C@]1(C(=O)N[C@H]2CCN(c3ccccn3)C2)C[C@@H]1Br	907117972	XHFHYSZMQRYNJU-MJVIPROJSA-N	324.222	1.950	50	20	DDGD	
CC1CCN([C@@H](C(=O)Nc2cccc(B(O)O)c2)C(C)C)CC1	584913162	PWQHAUDPAPUOEA-MRXNPFEDSA-N	318.226	1.061	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccccc1)N(C)C(=O)OC(C)(C)C	496136799	JIDVHECRCMIOFL-NSHDSACASA-N	321.377	1.703	50	20	DDGD	
C=CC(C)(C)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C	496186093	MIBPVNDNKWELMS-UHFFFAOYSA-N	314.386	1.054	50	20	DDGD	
COCCOc1ccc(C=NNC(=O)NCc2ccco2)o1	901177839	UBKRQUNEDHLSQE-UHFFFAOYSA-N	307.306	1.731	50	20	DDGD	
C/C(=C(\F)C(=O)NNC(=O)COc1ccccc1O)C1CC1	900617663	CMYKFXRSYDDDQJ-NTEUORMPSA-N	308.309	1.572	50	20	DDGD	
C[C@H]1CCc2c(F)cccc2[C@@H]1NCc1cccc(B(O)O)c1	585026647	PTZPNOHRHDSLRA-KPZWWZAWSA-N	313.181	1.919	50	20	DDGD	
COC(=O)[C@H]1CN(C(=O)/C(C#N)=C/c2ccc(F)cc2)CCO1	490841522	IWEQPUHNMGPOLS-CEFACKQISA-N	318.304	1.133	50	20	DDGD	
O=C(O)CCCN1CCC(=NNC(=O)NC2CCCCC2)CC1	739672478	JBJWWCWXAUMQKQ-UHFFFAOYSA-N	324.425	1.935	50	20	DDGD	
C[C@]1(c2ccccc2)C[C@H]1NC(=O)NNC(=O)[C@H]1CCCCO1	836326914	ZYUTWMNRUPYLSP-CKEIUWERSA-N	317.389	1.616	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@H]1CCOC2(CCC2)C1	908051478	PJOLCXRPFKQOIV-NSHDSACASA-N	304.350	1.006	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=C2CCn3ccnc32)n1	834921254	QYLOZYGTXSJSID-UHFFFAOYSA-N	316.390	1.306	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1C	831588990	PYBWMQQQWOKZID-FZMZJTMJSA-N	319.361	1.775	50	20	DDGD	
COCCCOc1cccc(C=NNC(=O)c2ncon2)c1	901285053	FHMZSYNXKKHPOW-UHFFFAOYSA-N	304.306	1.249	50	20	DDGD	
Cc1nc(C)c([C@@H](C)NCc2ccc(B(O)O)cc2F)s1	585018439	LJAGJBOUSAEUSU-MRVPVSSYSA-N	308.187	1.430	50	20	DDGD	
CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1cc(B(O)O)ccc1F	585002041	KYKHMOXJNIJDFX-OCCSQVGLSA-N	307.174	1.450	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)[C@H](C)C#N)cc1OC	735837317	RZYXDYUYRBLKGP-SNVBAGLBSA-N	305.334	1.405	50	20	DDGD	
COCCOc1ccc(C=NNC(=O)CNc2ccccc2)o1	901129687	GAKHGTMIPZDKNL-UHFFFAOYSA-N	317.345	1.867	50	20	DDGD	
O=C(NCB(O)O)[C@@H](c1ccccc1)c1ccc(Cl)cc1	585062194	CVPXVAPMBBFFPC-AWEZNQCLSA-N	303.554	1.600	50	20	DDGD	
COCCN(C)NC(=O)c1cn(CC(C)C)nc1C(F)F	837627022	QOBSDOJAUPVYHL-UHFFFAOYSA-N	304.341	1.700	50	20	DDGD	
C=COc1ccc(NC(=O)NNC(=O)[C@H](C)OCCOC)cc1	839151769	BIDXGVHQZCDSNB-NSHDSACASA-N	323.349	1.413	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C[C@H](C)c2cnn(C)c2)n1	839747152	FMBCSALAWBKIQO-JTQLQIEISA-N	301.350	1.078	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1c(Cl)nc2sccn12	833385016	RBYYPCJGQCWQOM-UHFFFAOYSA-N	315.742	1.157	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)N[C@H]2CCC[C@@H]3C[C@H]23)c1	838775356	WFNFOUUQXCZKMB-UGFHNGPFSA-N	316.405	1.885	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21	907644373	VIZKDSHUVWHBJP-WCFLWFBJSA-N	321.764	1.396	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CCCC(=O)C2CC2)cc1	831940066	NHMXZZPEAJLUBE-UHFFFAOYSA-N	319.361	1.997	50	20	DDGD	
O=C(Nc1ccccc1N1CCCCC1)c1ccc(B(O)O)cc1	584925016	QCWPQVVLNMXQBD-UHFFFAOYSA-N	324.189	1.609	50	20	DDGD	
COC[C@@H]1CCCCN1CC(=O)NNC(=O)c1cccs1	832611310	PWWGIXGJYBTZSK-NSHDSACASA-N	311.407	1.010	50	20	DDGD	
CCOc1ccccc1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	831068380	UCTGLNHRCBPHBL-QWRGUYRKSA-N	307.350	1.663	50	20	DDGD	
COc1ccc(C=NNC(=O)NC(C)C)c(OCC(=O)O)c1	734365661	OXXSWINVBMLIHM-UHFFFAOYSA-N	309.322	1.200	50	20	DDGD	
C[C@H](Sc1ccccc1Cl)C(=O)N1CC[C@@H](B(O)O)C1	585068975	JWZDROLVBVHRQV-VHSXEESVSA-N	313.615	1.896	50	20	DDGD	
OB(O)[C@H]1CCN(Cc2ccc(OC[C@H]3CCCO3)cc2)C1	585077772	YCKGCBKZBBFCJQ-GOEBONIOSA-N	305.183	1.293	50	20	DDGD	
COc1cc(NCc2cccc(B(O)O)c2)cc(OC)c1C	585043531	QOTBLCXSYPNONI-UHFFFAOYSA-N	301.151	1.304	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2cccc(S(C)(=O)=O)c2)[C@H](C)O1	834941963	USJFPGQKIOZMFH-UWVGGRQHSA-N	310.375	1.373	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NNc1ccncn1	834034242	HRERXEVZUINYHD-AAEUAGOBSA-N	320.397	1.140	50	20	DDGD	
CC(C)S(=O)(=O)c1ccccc1NC(=O)NNC(=O)O	736499575	HLWOWTYYUDCIEV-UHFFFAOYSA-N	301.324	1.173	50	20	DDGD	
Cc1nc(NC(=O)NNC(=O)COc2ccccc2O)oc1C	730819002	YVVYCUZJHCUOMU-UHFFFAOYSA-N	320.305	1.229	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cccc([N+](=O)[O-])c1	831047434	QFGWXMBXGFWBFC-LDYMZIIASA-N	308.294	1.173	50	20	DDGD	
CCCN(CCC)CCCC(=O)NNC(=O)[C@H]1CCCCO1	833250826	MNTGNMZMBWRPTM-CQSZACIVSA-N	313.442	1.605	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCC(C)(C)C(C)(C)O	836292389	POWVEGGMOHWHNO-UHFFFAOYSA-N	323.393	1.436	50	20	DDGD	
CCc1ncncc1C(=O)NNC(=O)c1ccc(Cl)cc1O	743312430	GSZXISSVTMXPSF-UHFFFAOYSA-N	320.736	1.473	50	20	DDGD	
COc1ccc(CCC(=O)NN(C)C[C@H](C)O)cc1Cl	910176126	YKWOTLXWAGEALH-JTQLQIEISA-N	300.786	1.625	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C)nc1C(C)C	838149930	VYWNHFFIXHKZRC-LLVKDONJSA-N	321.377	1.616	50	20	DDGD	
Cc1ccccc1[C@@H](C)CC(=O)NNC(=O)CN1CCCC1=O	913730921	NJAALLFGOUIHSZ-ZDUSSCGKSA-N	317.389	1.258	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H]2C[C@H](C)O[C@H]2C)c1	840433899	MVGNBQPCGTZLAK-GVXVVHGQSA-N	321.377	1.913	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCn1ccc2ccccc21	843978176	WJSFCWRZFTZECC-GXTWGEPZSA-N	315.373	1.604	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F	843650340	BFEAAQRFISCTOS-XWLWVQCSSA-N	324.327	1.641	50	20	DDGD	
NC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)Cc1ccc(F)cc1	841951439	WMLQPHCDVUAQHJ-TZMCWYRMSA-N	322.384	1.216	50	20	DDGD	
CCn1nncc1C=NNC(=O)CSc1ccccc1OC	841631117	FHFSCANEPJWLBD-UHFFFAOYSA-N	319.390	1.549	50	20	DDGD	
CC(=O)c1cc(NC(=O)C(=O)NNC(=O)C(C)(C)C)ccc1C	847500934	KVZWEYVQHPOAJY-UHFFFAOYSA-N	319.361	1.330	50	20	DDGD	
CC(C)[C@H]1CCCC1=NNC(=O)N[C@H]1CCS(=O)(=O)C1	747753607	JYZGTKDZMKSFAS-WDEREUQCSA-N	301.412	1.285	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cnc(F)c(Br)c1	848144653	ZOXKPQYRXNBOQL-UHFFFAOYSA-N	316.130	1.544	50	20	DDGD	
CCN1C[C@H](CNC(=O)NNc2c(F)cccc2F)CC1=O	845493356	IKGFMQJSODSKKD-VIFPVBQESA-N	312.320	1.459	50	20	DDGD	
COC(=O)NC1CCN(C(=O)[C@@]2(C)C[C@@H]2Br)CC1	912761166	AGCNIJQFJNSENT-CABZTGNLSA-N	319.199	1.507	50	20	DDGD	
CCN1CC[C@H](OC(=O)[C@H](Br)C(C)(C)C)C1=O	849755787	BJQPZFUDFUGRBW-IUCAKERBSA-N	306.200	1.960	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(OC(C)C)cc1	748259986	NXXQGJSCNLDMMF-CYBMUJFWSA-N	308.378	1.975	50	20	DDGD	
C[C@H](SCc1ccccc1)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843644132	JXLQEDDJVUGIBK-MBNYWOFBSA-N	322.430	1.881	50	20	DDGD	
CCC[C@H](CC)S(=O)(=O)NNC(=O)c1ccc(C)cc1O	844649948	OMOGWQCVAYZFEQ-NSHDSACASA-N	314.407	1.844	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H](C)Cc2ccco2)n1	746750491	RHBDWMYSFOITJF-VIFPVBQESA-N	305.338	1.644	50	20	DDGD	
CCS[C@H]1CC[C@@H](N(C)CC(=O)NNC(=O)C(C)(C)C)C1	744423508	IHLAUPRCWGZLJL-NEPJUHHUSA-N	315.483	1.786	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2ccc3c(c2)C(=O)CC3)CC1	848448913	XWPWAJNPTRRYIC-UHFFFAOYSA-N	302.355	1.660	50	20	DDGD	
Cc1cccc(N2CCN(CCCCNC(=O)NN)CC2)c1	841699073	LALGCONYHOIMIN-UHFFFAOYSA-N	305.426	1.070	50	20	DDGD	
Cc1cc(F)c(S(=O)(=O)NNC(=O)C(C)C)cc1[N+](=O)[O-]	742026556	RUGAQKNFESTSPA-UHFFFAOYSA-N	319.314	1.008	50	20	DDGD	
O=C(NN=C1CCC[C@@H]2C[C@H]12)C(=O)NN=C1CCC[C@@H]2C[C@H]12	841604975	WDKGFXNWDWTDBR-WYUUTHIRSA-N	302.378	1.571	50	20	DDGD	
CCN(CC)S(=O)(=O)c1ccc(C(C)=NNC(N)=O)cc1	916247873	NTZMSEMXKFYIFZ-UHFFFAOYSA-N	312.395	1.109	50	20	DDGD	
CC(C)COc1ccccc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843651792	OUNVSNDJWIZZNF-STQMWFEESA-N	320.389	1.907	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	843663656	ZEPHTAIWBLVWII-FBUXBERBSA-N	313.357	1.234	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=Cc2cccs2)c1	915052107	HUUIUMBSNDYUMW-UHFFFAOYSA-N	308.384	1.916	50	20	DDGD	
COc1ccc(C)cc1CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843647721	ZKVSVZAXYHHQIE-WCQYABFASA-N	306.362	1.119	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)n1	847442005	FZFVIVVORYTSFU-ZIAGYGMSSA-N	318.425	1.736	50	20	DDGD	
Cc1cccc(Cl)c1S(=O)(=O)NNC(=O)NC(C)C	840912471	OUKCAVPLQLMBPL-UHFFFAOYSA-N	305.787	1.549	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1cccc2scnc12	840909877	ASTVDYZCGOBBST-UHFFFAOYSA-N	313.404	1.652	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@H](CN)CC(C)C)c1ccccc1	841955145	ZDYJUWMLMCDDHE-GJZGRUSLSA-N	320.437	1.884	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc3c(c2)NC(=O)CO3)cc1	746883375	PEBKKOQDXVTULH-UHFFFAOYSA-N	313.313	1.783	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@](C)(OC)C2CC2)cc1	846376066	QXOIUGRDNULJLB-INIZCTEOSA-N	306.362	1.660	50	20	DDGD	
C[C@H]1C[C@@H]1c1ccc(CCC(=O)NNc2nccn(C)c2=O)o1	747945494	JIHGSXVQNVSYLC-JQWIXIFHSA-N	316.361	1.573	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cc(F)c(F)cc1F	746825197	BWLPBBSKUMJTDU-UHFFFAOYSA-N	300.158	1.817	50	20	DDGD	
C[C@H](CCc1cccc(F)c1)C(=O)NNC(=O)c1ncccn1	841351041	ZQOJTTCTWFZWHX-LLVKDONJSA-N	316.336	1.646	50	20	DDGD	
CC(C)O[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccccc1	843654055	GRQWZIAYNSQHMX-YUELXQCFSA-N	320.389	1.725	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cccc(Cl)c1)[C@H]1CCCNC1	841929963	YIOWGPBVVIDVIY-PWSUYJOCSA-N	324.812	1.672	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)COc1ccccc1O)c1ccccc1	751603068	JSXGMYMOXUQMER-GFCCVEGCSA-N	314.341	1.722	50	20	DDGD	
O=C1NC(=O)C2(CCC(=NNC(=O)c3ccccc3F)CC2)N1	758090052	GMTJZRFDEGYZLT-UHFFFAOYSA-N	318.308	1.064	50	20	DDGD	
C[C@H](C[S@](C)=O)NC(=O)NC[C@]1(C)C[C@@H]1Br	856850775	ZYBXKWFWGCYFQM-HWEYTRFMSA-N	311.245	1.226	50	20	DDGD	
O=C(NC[C@H]1CCCC1(F)F)NNC(=O)c1cccc(F)n1	852369092	SZOBHMUFKZAKFV-MRVPVSSYSA-N	316.283	1.600	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)OCC(F)(F)F)C(=O)OC(C)(C)C	856025856	CKPHEBIOCDTAEJ-LURJTMIESA-N	314.260	1.284	50	20	DDGD	
CC(C)=C(C)C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	750942297	UXCFICFDRUTMMM-UHFFFAOYSA-N	304.346	1.656	50	20	DDGD	
COc1cccc(-c2cc(C(=O)NNC(=O)NC3CC3)on2)c1	858778839	YLVGXELMEMTCIM-UHFFFAOYSA-N	316.317	1.457	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H]2CCCS2)c1	750888861	GDDANGCNAXCTTL-GFCCVEGCSA-N	322.386	1.195	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnc3nccnc3c2)c(O)c1	759369231	FLYUVYKSRIRQCS-UHFFFAOYSA-N	323.312	1.114	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)C(C)(C)C)c1ccnc(O)c1	853408370	PBOKUKJHNKCIQZ-UHFFFAOYSA-N	320.393	1.570	50	20	DDGD	
CC[C@@H](C)CC[C@@H](O)CC(=O)NNC(=S)NCC1CCC1	855089942	MSRVEWKZTSTVEN-DGCLKSJQSA-N	315.483	1.859	50	20	DDGD	
CC(=NNC(=O)c1sc(N)nc1C)c1cc(O)cc(O)c1	753698690	ZWJZUJOYXNDWLP-UHFFFAOYSA-N	306.347	1.599	50	20	DDGD	
NC1(CNC(=O)NNC(=O)CCCc2ccccc2)CCCC1	851671189	IHIKAPZQOJTEII-UHFFFAOYSA-N	318.421	1.611	50	20	DDGD	
COc1cccc(NNC(=O)NCc2c(C3CC3)cnn2C)n1	852577658	IXZSRNUNTUKEFU-UHFFFAOYSA-N	316.365	1.527	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)CO[C@H]1CCCC[C@H]1C)C1CC1	855101104	PQOAWRPGMPKPLM-WZRBSPASSA-N	313.467	1.876	50	20	DDGD	
O=C(NCC[C@@H]1CCc2ccccc21)NNC(=O)c1cn[nH]c1	858500337	BJGRSHQTFMASSL-LBPRGKRZSA-N	313.361	1.474	50	20	DDGD	
CCOC[C@H](C(=O)OC)N(C)C[C@@H](CBr)C1CC1	859200721	KIRMJPZBYGKMSV-VXGBXAGGSA-N	322.243	1.917	50	20	DDGD	
COC(=O)[C@H](Cc1ccc(F)cc1)NS(=O)(=O)CCl	921385023	BJPFWFARQAKZCF-JTQLQIEISA-N	309.746	1.026	50	20	DDGD	
C=CC[C@H]1CCCCC1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	853292774	XLMUTMUAOPTKSJ-NWDGAFQWSA-N	313.423	1.595	50	20	DDGD	
CNc1snc(C)c1C(=O)NNC(=S)N[C@@H](C)C1CC1	855102324	IYOMWDFMTCZLNE-LURJTMIESA-N	313.452	1.401	50	20	DDGD	
COC(=O)[C@H]1COCCN1C[C@H](CBr)C1CC1	859197552	JRKHSUZWZBBATR-WDEREUQCSA-N	306.200	1.281	50	20	DDGD	
CCCN1C[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2F)CC1=O	855623741	NTLXXPKWPIVNRB-SECBINFHSA-N	324.312	1.436	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)CCOc2ccccc2)c(C)n1	858918207	BORNBOJWCHDKDM-UHFFFAOYSA-N	316.361	1.442	50	20	DDGD	
O=C1C[C@H](CNC(=O)NNc2cc(F)cc(Cl)c2)CN1	854170645	WNMRSTYLWODTFV-ZETCQYMHSA-N	300.721	1.241	50	20	DDGD	
Cn1cnnc1SCC(=O)NC[C@@]1(C)C[C@@H]1Br	857735150	XTBCIXYPGWOTOC-OIBJUYFYSA-N	319.228	1.197	50	20	DDGD	
Cc1cccc2c1O[C@H](C(=O)NNC(=S)NCC1CCC1)C2	855093011	WGWZNSHWIWHBNF-ZDUSSCGKSA-N	319.430	1.594	50	20	DDGD	
N#CSCCCNC(=O)C1CN(C(=O)C2CCCCC2)C1	854367616	VJHVCZABUBFUAP-UHFFFAOYSA-N	309.435	1.746	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H]2CCN(C)[C@H](C)C2)c1	858285294	VUDXRJJPTGKGFZ-MNOVXSKESA-N	310.423	1.483	50	20	DDGD	
O=C(NN=Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(O)cc1	751130860	GXVFDDGSNNFYKR-UHFFFAOYSA-N	301.258	1.770	50	20	DDGD	
C#CCNC(=S)NNC(=O)c1ccc(Br)s1	758181631	SCSMGKMZXZASFC-UHFFFAOYSA-N	318.221	1.253	50	20	DDGD	
Cc1cccc(C2(C(=O)NNC(=O)c3cn[nH]c3)CCCC2)c1	862471496	GTFTUPCFYSWZSA-UHFFFAOYSA-N	312.373	1.991	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1c[nH]nc1C(=O)OC(C)(C)C	862071159	QESPUVIENLNWFI-HJWRWDBZSA-N	306.322	1.747	50	20	DDGD	
COC[C@@H](NS(=O)(=O)CC(C)(C)CCl)[C@@H]1CCCO1	867207754	VIIFXJIBTNHWJS-MNOVXSKESA-N	313.847	1.365	50	20	DDGD	
Cc1cc(=NNC(=O)C2CCN([C@H]3CCSC3)CC2)cc[nH]1	862513893	NVYSQTAEBLGVBU-HNNXBMFYSA-N	320.462	1.473	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)CNC(=O)c2cccnc2)C[C@@H]1C	767384679	IHNQHUIWZRFSCK-RYUDHWBXSA-N	302.378	1.740	50	20	DDGD	
O=C(CCCOCCc1ccccc1)NNC(=O)c1cn[nH]c1	862474503	MRKMWMNXQABQQU-UHFFFAOYSA-N	316.361	1.210	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NNc1ccccc1Cl	766278620	ZFYUTPKMKIWXIW-KOLCDFICSA-N	310.785	1.881	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NNc1ncc(F)cn1	760907021	ZZFOBMFVGBYOQH-UHFFFAOYSA-N	313.333	1.364	50	20	DDGD	
C[C@]1(CCNC(=O)c2cccc(B(O)O)c2)CC1(Cl)Cl	863885791	OUPWWMDEEKFYIY-LBPRGKRZSA-N	315.993	1.070	50	20	DDGD	
CC(C)OC[C@H](CO)N(C)S(=O)(=O)CC(C)(C)CCl	867191268	MVHUQXAAHMFAMJ-NSHDSACASA-N	315.863	1.299	50	20	DDGD	
Cc1[nH]nc(C(F)(F)F)c1C(=O)NN[C@@H](C)C(F)(F)F	862311841	UWYYZSUCUBCSGI-BYPYZUCNSA-N	304.194	1.922	50	20	DDGD	
O=C(Cc1ccc(O)c(F)c1)NNCC(F)(F)C(F)(F)F	863101985	PXLJCAITPHRGTG-UHFFFAOYSA-N	316.201	1.892	50	20	DDGD	
CCc1nc2c(s1)C(=NNC(=O)[C@H]1CCC(=O)N1)CCC2	863148428	BRJUPLFAOGROAW-SNVBAGLBSA-N	306.391	1.141	50	20	DDGD	
C[C@H](c1ccccc1F)[C@@H](O)C(=O)NNC(=O)c1cccn1C	864594117	NYDZKXWFOSBONF-QMTHXVAHSA-N	319.336	1.090	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2scnc2C(C)(C)C)n[nH]1	869013744	ICFFUUZGZGUCNY-UHFFFAOYSA-N	321.406	1.476	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNc3ncncc3Cl)(CC1)C2	760523740	AMRMWMCDZHPZGZ-UHFFFAOYSA-N	324.768	1.697	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccc[nH]1)n1ccc(C(F)(F)F)n1	864588933	XEAZHNIGZCDDTC-ZETCQYMHSA-N	315.255	1.252	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=Cc1cccnc1N	764664177	AXQZHVDEGQMTBR-UHFFFAOYSA-N	308.345	1.472	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)CCC2(O)CCC2)c1	867239370	CTTYNXNKADDZBV-UHFFFAOYSA-N	312.391	1.228	50	20	DDGD	
O=C(/C=C\CN1CCOCC1)NNc1ccc(Cl)c(F)c1	866880522	RLZIAQZLLCCEAG-UPHRSURJSA-N	313.760	1.811	50	20	DDGD	
C[C@H](C#N)C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	768279926	UVNNXPZKVZQEEP-MRVPVSSYSA-N	301.281	1.136	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cc(OC)c(OC)cc1O	768355214	NHTYPDOMNHRZLE-UHFFFAOYSA-N	323.393	1.591	50	20	DDGD	
COc1cc(O)c(C=NNC(=O)c2ccccc2O)cc1OC	768358758	YRSYGQLJPRAIHP-UHFFFAOYSA-N	316.313	1.879	50	20	DDGD	
Cc1cc(C)c(/C=C/C=NNC(=O)CS(C)(=O)=O)cc1C	872393780	GLMVNGVDIONLII-SKSZPCMQSA-N	308.403	1.772	50	20	DDGD	
CCN(CCNC(=O)NN(C)C(=O)OC)CCC(F)(F)F	875530117	HLDLMJVRCAIWRP-UHFFFAOYSA-N	314.308	1.173	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1nnc(O)c2ccccc12	1116397360	KRPBVSRIEKFMFI-UHFFFAOYSA-N	300.253	1.021	50	20	DDGD	
C[C@@H](CC1CCCCC1)NC(=O)NNC(=O)C(=O)N1CCCC1	775221637	CZDVTYVATHVPKE-LBPRGKRZSA-N	324.425	1.298	50	20	DDGD	
CNC(=O)c1ccc(Cl)c(NC(=O)NN(C)C(=O)OC)c1	878280960	VROCZPPXSSKLDU-UHFFFAOYSA-N	314.729	1.434	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C2CCN(C)CC2)c1	874950014	LSYKBACJBUKXOT-UHFFFAOYSA-N	316.430	1.327	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC(Cc2cccnc2)CC1	771459167	BWIOAYJOLHBFKQ-ZDUSSCGKSA-N	318.421	1.282	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cnn(C)c1Cc1ccccc1	770132511	SKAXBCJGQXAZDD-UHFFFAOYSA-N	314.389	1.818	50	20	DDGD	
C=CCCC[C@H](C)NC(=O)NNc1nc(O)c2cnn(C)c2n1	776084170	JHYQTQXZNXLFOW-VIFPVBQESA-N	319.369	1.440	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)N[C@H]1CCn2ccnc2C1	779666203	PNPNCQYNBUXLBG-JTQLQIEISA-N	316.321	1.432	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccnn1C(CC)CC	772209168	YXGVBLRWNZKGOE-JTQLQIEISA-N	324.381	1.347	50	20	DDGD	
CC(C)[C@H]1CCC[C@@H](NC(=O)NNC(=O)C2CCNCC2)C1	1118026149	ARMRMLPBZIMGOC-UONOGXRCSA-N	310.442	1.531	50	20	DDGD	
COCCC1(C(=O)NNC(=S)Nc2ccccc2OC)CC1	873769993	VUBMZLGGJZFGAA-UHFFFAOYSA-N	323.418	1.830	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	770575714	UFXQWNAPAZZCRC-VXGBXAGGSA-N	322.361	1.037	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1ccc(Cl)cc1OC	872400642	XJPVCYNIOJRYNH-UHFFFAOYSA-N	314.769	1.852	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)/C=C\[C@H]2CCOC2)cn1	874955505	RXWZCIPNEPQQNW-GQPNGRKGSA-N	322.390	1.001	50	20	DDGD	
COCCOCC(=O)NN=C1CCc2c(cccc2OC)C1	872401183	JZQAPABNQQEHGS-UHFFFAOYSA-N	306.362	1.319	50	20	DDGD	
C[C@@H](NCC(=O)NNC(=O)C1CC1)C(C)(C)c1ccccc1	775322587	WJAQJMKLZZTCSX-GFCCVEGCSA-N	303.406	1.500	50	20	DDGD	
CCOC(=O)Cc1nnc(NC(=O)NNc2ccccc2)s1	770073140	BSLRKLCLIUZLAS-UHFFFAOYSA-N	321.362	1.792	50	20	DDGD	
CCCC[C@H](CC)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	886577434	IOLQXPFIADXNIM-QWHCGFSZSA-N	304.456	1.695	50	20	DDGD	
CCn1cc(-c2n[nH]cc2C(=O)NNC(=O)c2ccccc2)cn1	778282792	XTPRMAKATIMOTD-UHFFFAOYSA-N	324.344	1.368	50	20	DDGD	
C[C@@H](Cc1cccs1)NC(=O)NNC(=O)C1CCOCC1	883124717	NTABQSANCWRUHF-JTQLQIEISA-N	311.407	1.436	50	20	DDGD	
C#CCOc1cccc(NC(=O)NNc2ncc(F)cn2)c1	775609383	VGELBBSXZSNLSC-UHFFFAOYSA-N	301.281	1.776	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNc2cccc(S(C)(=O)=O)c2)c1	776531165	VTTAPUONKRNXQF-UHFFFAOYSA-N	321.358	1.378	50	20	DDGD	
CCN(CCNC(=O)NNc1cccc(C(=O)OC)c1)C(C)C	780830452	UDJHFNHNZQFSBJ-UHFFFAOYSA-N	322.409	1.830	50	20	DDGD	
Cn1ncnc1-c1ccc(OS(=O)(=O)CCCCl)cc1	882124167	WYWLZOWMVCHHES-UHFFFAOYSA-N	315.782	1.820	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNc1nc(-c2cccnc2)no1	786933072	BGERJKYKIXMZMM-UHFFFAOYSA-N	313.321	1.157	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CC(N2CCCC2=O)C1	888762488	VCDQABBJRSYXRK-MDWZMJQESA-N	313.332	1.566	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc2c(c(OC)c1)O[C@@H](C)C2	887140496	HUFTZDROQOGOBE-NSHDSACASA-N	316.357	1.583	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H]1COc2cc(F)cc(F)c21	882062210	FAJHZVJDYJEERE-SECBINFHSA-N	311.737	1.947	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CCC[C@@H](N(C)C)C2)cc1	788423282	VHDFSKMCZQVODP-OAHLLOKOSA-N	316.405	1.910	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H](C)CCN1S(=O)(=O)CCCCCl	780849038	IVSQAEHCAVYZSY-QWRGUYRKSA-N	311.831	1.609	50	20	DDGD	
C=CCCOCC(=O)NNC(=O)NCc1ccc(Cl)cc1	787427512	ZEIAWGVWYHOEEF-UHFFFAOYSA-N	311.769	1.763	50	20	DDGD	
CC[C@H]1C[C@H](CC(=O)NNC(=O)Cc2ccncc2)CCO1	781693160	JUOBNLIHYCKDPZ-KGLIPLIRSA-N	305.378	1.367	50	20	DDGD	
Cc1cccc(S(=O)(=O)NNC(=O)C2CCCC2)c1F	781559160	FXEKOCWXSKKYSB-UHFFFAOYSA-N	300.355	1.634	50	20	DDGD	
CCOC(=O)[C@@H](C)N(C1CC1)S(=O)(=O)CCCCCl	786921802	AKJXMLVTNKGABP-SNVBAGLBSA-N	311.831	1.751	50	20	DDGD	
Cn1nc2c(c1C(=O)NNc1nc3ccccc3n1C)CCC2	899095813	MTYHARAFGDLFMD-UHFFFAOYSA-N	310.361	1.552	50	20	DDGD	
NC(=O)C(=O)NN=C1CCCc2c(Br)cccc21	782899886	SJAUSHKHIXPZFV-UHFFFAOYSA-N	310.151	1.091	50	20	DDGD	
C[C@@H]1CCCC[C@H]1OCC(=O)NNC(=S)NC(C)(C)C	899995049	FGPOOANWNIFONI-GHMZBOCLSA-N	301.456	1.876	50	20	DDGD	
N#Cc1ccc(NNC(=O)C2CCN(CC(F)F)CC2)nc1	899661132	KVVDSMXEFMJNFG-UHFFFAOYSA-N	309.320	1.373	50	20	DDGD	
CCc1ccccc1OCCC(=O)NNC(=O)C1CCOCC1	894101797	WBRWYABWGRQZBF-UHFFFAOYSA-N	320.389	1.592	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cncc(-c2cnn(C)c2)c1	791215812	CQLYDDJMNAVXPU-UHFFFAOYSA-N	308.345	1.942	50	20	DDGD	
Cc1nc(CC(=O)NN=C2CC(=O)N3CCCC[C@@H]23)cs1	799473094	XWKXSIHXGZBENT-LBPRGKRZSA-N	306.391	1.251	50	20	DDGD	
CN(NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)C(N)=O	795225004	CWUYNDHRBBBVMA-VHSXEESVSA-N	317.267	1.730	50	20	DDGD	
Cc1cc(C(=O)NNc2ncccc2C)c2c(O)nn(C)c2n1	791215887	DXSYIYISZKMGFL-UHFFFAOYSA-N	312.333	1.443	50	20	DDGD	
Cc1ccc2c(c1)CC[C@H](C(=O)NNC(=O)CC(F)(F)F)O2	794995866	SKFKXRWOZKOIMP-LLVKDONJSA-N	316.279	1.788	50	20	DDGD	
COc1cccc(C2(C(=O)NNC(=O)NC3CCCC3)CC2)c1	795787996	YLKXDIXRBPNLBT-UHFFFAOYSA-N	317.389	2.000	50	20	DDGD	
CC(=O)NNC(=O)Nc1nnc(-c2cc(F)ccc2C)s1	791905191	WODLTEMQSZNRDT-UHFFFAOYSA-N	309.326	1.825	50	20	DDGD	
CCCC[C@@H](S[C@H](C)C(=O)NNC(=O)CC)C(=O)OC	794451377	UYUUBBKYWOMQLD-NXEZZACHSA-N	304.412	1.397	50	20	DDGD	
COc1cc(NC(=O)NNc2cccc(F)c2[N+](=O)[O-])ncn1	790518621	OYJXVLIUBNECMF-UHFFFAOYSA-N	322.256	1.681	50	20	DDGD	
CC(C)(C)CCNC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1328932139	ZDISFTYANVAGOF-TVQRCGJNSA-N	319.243	1.829	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1cccnc1N(C)C	1323392861	YWSQZPCVDCVKNA-UHFFFAOYSA-N	312.373	1.849	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1CCCc2cnn(C(C)C)c21	1320267570	MPBYMFFCUFBRDK-LBPRGKRZSA-N	323.397	1.208	50	20	DDGD	
CCc1onc(C)c1NC(=O)C(=O)NNc1ccnc(F)c1	1324362383	NQSUZYCKPPADDJ-UHFFFAOYSA-N	307.285	1.161	50	20	DDGD	
O=C(CCCCc1cnn[nH]1)NNC(=O)c1ccccc1Cl	1320148923	FGQZEIGVNKAFNZ-UHFFFAOYSA-N	321.768	1.632	50	20	DDGD	
O=C(/C=C\c1ccco1)NNC(=O)c1n[nH]c2c1CCCC2	1321482701	JFFMLVBILXZATF-FPLPWBNLSA-N	300.318	1.356	50	20	DDGD	
CC(C)CN1CCC[C@H]1C(=O)NNc1cc(Cl)nc(N)n1	1335858881	QKVJJEXIVCACCM-VIFPVBQESA-N	312.805	1.276	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cccc2c1[C@@H](C)CC2(C)C	1336678399	FYPBLLVJNINIGS-JTQLQIEISA-N	317.389	1.967	50	20	DDGD	
CCOCCN(C)c1nnnn1C[C@]1(C)C[C@@H]1Br	1336189559	XKICEUNCTCAZLC-ONGXEEELSA-N	318.219	1.319	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNc1nc(-c2ccccc2)no1	1337126063	HXODGADHWCPTDP-VXGBXAGGSA-N	302.334	1.995	50	20	DDGD	
NS(=O)(=O)C[C@H]1CCCCN1C(=O)C1CCC(Cl)CC1	1263857571	ITYFVUMVWCMFNF-HTAVTVPLSA-N	322.858	1.454	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)C1CCS(=O)(=O)CC1	1351065035	XXUZOXLHDQKTIZ-UHFFFAOYSA-N	303.771	1.003	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1cccc(F)c1C(=O)O	1601561591	QAVBUJAYSPRWTA-UHFFFAOYSA-N	318.264	1.001	50	20	DDGD	
O=C(O)c1cc(NNC(=O)c2ncc3n2CCCC3)ccc1F	1608856713	MMKBUJBQASCRRX-UHFFFAOYSA-N	318.308	1.814	50	20	DDGD	
O=C(NNc1cccc(F)c1)c1ccsc1-c1nn[nH]n1	1606861720	ZUIRSMBQJNTGKK-UHFFFAOYSA-N	304.310	1.824	50	20	DDGD	
O=C(O)[C@@H]1CCCN1Cc1cn(/C=C/CBr)nn1	1605998864	OTKPUFXRMIQKNL-LFKJVQOCSA-N	315.171	1.193	50	20	DDGD	
O=C(O)CC1(C(=O)NNC(=O)c2c[nH]c3ccccc23)CCC1	1606071748	PNFLPKUZKZXNHL-UHFFFAOYSA-N	315.329	1.574	50	20	DDGD	
CCC(=O)N1CSC[C@@H]1C(=O)NNc1ccccc1C(=O)O	1609883978	XTQJCYWEFWINCF-LLVKDONJSA-N	323.374	1.139	50	20	DDGD	
O=C(NN=C1C[C@H]2C[C@@H](C(=O)O)[C@H]1C2)[C@H]1Cc2ccccc2O1	1601552375	SBPTYQNPKNZXMB-SDBHATRESA-N	314.341	1.593	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1Cc2ccccc2[C@@H](C(=O)O)C1	1603301267	VLHZIGVOCDCHPB-LBPRGKRZSA-N	319.361	1.457	50	20	DDGD	
C[C@H](CNC(=O)OC(C)(C)C)N(C)S(=O)(=O)CCl	830452055	XDFNJLNGPUIWKE-MRVPVSSYSA-N	300.808	1.358	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1ccsc1	1549317738	YXMUJYNBFKPIFQ-TZMCWYRMSA-N	307.419	1.842	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(Cl)Cl)[C@@H]1C[C@@H]1F	1802342267	XTCUTRFTXOFFAW-ZOZBQHSOSA-N	323.195	1.786	50	20	DDGD	
COc1cc(C(=O)O)ccc1NC(=O)NNC(=O)C1CCC1	1610286715	MEXREOPFTJIWJO-UHFFFAOYSA-N	307.306	1.346	50	20	DDGD	
COCC(=NNC(=O)[C@H]1CCCO[C@@H]1c1nccn1C)C(C)C	1549309442	IMBZMJHWNQCFEV-JSGCOSHPSA-N	322.409	1.662	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@@H](N)C(C)(C)C	1574015177	ZJRVHXVTQOYUAN-LLVKDONJSA-N	313.785	1.483	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@]1(C)C[C@H](O)CN1	1579646345	AKXNYEJNDUJHKT-LRDDRELGSA-N	300.362	1.099	50	20	DDGD	
C[C@H]1Cn2nc(C(=O)NNc3ccc(Cl)c(F)c3)cc2CN1	1576870469	BFPHNXADUWZKOY-QMMMGPOBSA-N	323.759	1.924	50	20	DDGD	
Cc1cccc(-c2cccc(C(=O)NNC(=O)[C@H]3CCN3)c2)c1	1579743072	LHILILGSZPKEJB-MRXNPFEDSA-N	309.369	1.785	50	20	DDGD	
CSCC[C@@H](N)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	1579377663	NZEKLLNMLBASTR-SNVBAGLBSA-N	318.349	1.198	50	20	DDGD	
O=C(CC1(O)CNC1)NNc1nc2ccc(Cl)cc2s1	1580515490	RKTKZUUJRKPVKC-UHFFFAOYSA-N	312.782	1.117	50	20	DDGD	
C=CC[C@@H](CC)NC(=O)NNc1cccc(-c2nn[nH]n2)c1	1588540744	FCDOYXXEALWTPA-LLVKDONJSA-N	301.354	1.848	50	20	DDGD	
O=C(NNc1ccccc1F)c1ccsc1-c1nn[nH]n1	1582562050	AXWNWDYHWFCRSL-UHFFFAOYSA-N	304.310	1.824	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)C(C)=O)C1	1842609833	SMDHBMWZWRZOFE-NSHDSACASA-N	300.786	1.186	50	20	DDGD	
CCCC(O)(CCC)CC(=O)NNc1ncccc1C(=O)O	1589634699	WDCNHGBPRLLYRZ-UHFFFAOYSA-N	309.366	1.944	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ccc3c(c2)NCC3)c1Cl	1580466368	KKGOKQHXFGEJMY-UHFFFAOYSA-N	304.741	1.437	50	20	DDGD	
COCCOC[C@H](C)NC(=O)NNc1cccc(C(=O)O)c1	1599249367	HHGZACRZEPTQNM-JTQLQIEISA-N	311.338	1.062	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccccc2C(=O)O)cc1	1598959704	IPETXSHFSWYJQS-UHFFFAOYSA-N	314.297	1.928	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1coc(C(F)F)c1	1593163213	OHIFWDBFADJIGV-UHFFFAOYSA-N	321.247	1.549	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	1595181703	RRYOTXHJYJXBDP-RNFRBKRXSA-N	304.133	1.942	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)NCC(=O)O)CN(Cc2ccccc2)C1	1594195704	BMSLDFXSGBNQLG-GFCCVEGCSA-N	318.377	1.268	50	20	DDGD	
O=C(O)CCCCC(=O)NNC(=O)c1c[nH]c2ccccc12	1595032654	DXXNAMQDVLOMCR-UHFFFAOYSA-N	303.318	1.574	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1[nH]c2ccccc2c1CC(=O)O	1596463117	PFDULSDIWPGFNO-UHFFFAOYSA-N	318.333	1.101	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H]1CC[C@H]1C(=O)O	1593866902	GFQYSRMHWXGFEM-HTQZYQBOSA-N	310.281	1.166	50	20	DDGD	
COCC(C)(C)CNC(=O)NNc1cccc(C(=O)O)c1C	1599145213	JTVBCESFMXPCKG-UHFFFAOYSA-N	309.366	1.992	50	20	DDGD	
CCc1noc(C2CCC(=NNC(=O)NCC(=O)O)CC2)n1	1597746552	UUPBGPDVDMBNRP-UHFFFAOYSA-N	309.326	1.029	50	20	DDGD	
CC(=NNC(=O)c1cccc(C(=O)O)c1)c1cc(C)n(C)n1	1776095791	UNUANLRKWDOQDO-UHFFFAOYSA-N	300.318	1.581	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccncc2)cc1	11082052	RCZXMXBALFQSGL-UHFFFAOYSA-N	313.313	1.008	50	20	DDGD	
CC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCOC	1795778732	HGLDCKPVACRCTD-RNJOBUHISA-N	316.829	1.679	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cccc(-c3ncn[nH]3)c2)n1	158544519	JOMSKLMPKDZIQZ-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
COC(=O)NNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1	158945474	DLACLFWHBXOVIN-CYBMUJFWSA-N	319.405	1.717	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(N2CCCC2=O)cn1	151358295	ZGJFETMQCIQIGA-PKNBQFBNSA-N	300.318	1.591	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2cccc(N(C)C)n2)n1	152633006	RPTDXTOUULTYQI-UHFFFAOYSA-N	301.354	1.703	50	20	DDGD	
O=C(CN1C[C@H]2CCC[C@@H]2C1)NNC(=O)c1ccccc1Cl	153325079	HDSCCBNOZJUBGQ-VXGBXAGGSA-N	321.808	1.833	50	20	DDGD	
COC(=O)NCCC(=O)NNc1ccc(C(F)(F)F)cc1	153776317	BIMQXUMHRTWNRR-UHFFFAOYSA-N	305.256	1.895	50	20	DDGD	
O=C(CSCc1ccccn1)NNc1ncnc2nc[nH]c12	156261230	SPUMHKOLIUYPON-UHFFFAOYSA-N	315.362	1.124	50	20	DDGD	
COc1ccc(NNC(=O)NCCOc2cccc(F)c2)nc1	156764517	RTFBNLVPPGCAAK-UHFFFAOYSA-N	320.324	1.934	50	20	DDGD	
CCn1c(NNC(=O)[C@H]2CCCCO2)nc2ccccc2c1=O	154689773	NXFYNCPTAILQFL-CYBMUJFWSA-N	316.361	1.429	50	20	DDGD	
O=C(NNC(=O)c1cccc(Br)n1)c1cccnc1	154772980	XSERTULYZPEKTD-UHFFFAOYSA-N	321.134	1.314	50	20	DDGD	
Cc1nccn1CCCN(C)S(=O)(=O)CCCCCl	154786562	PXGYLCMVBGUKMG-UHFFFAOYSA-N	307.847	1.862	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2ccc(F)cc2)c1	584352	IHYDLJOHTVIYJH-UHFFFAOYSA-N	302.305	1.974	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	6316487	YFJJVDOBYZDWLK-UHFFFAOYSA-N	323.714	1.188	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccnc(Br)c2)o1	176744968	BYAXJAZHAXHCTB-UHFFFAOYSA-N	324.134	1.820	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NC[C@H](c1ccc(F)cc1)N(C)C	55010371	PUPRTSKAQJAMMF-VSKPTYQZSA-N	305.353	1.989	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CCNc1ccccc1[N+](=O)[O-]	10892848	QUFJECLKPOXZJC-UHFFFAOYSA-N	308.338	1.590	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2csnc2C)c1	183097802	QQTLJZIOYSIENV-UHFFFAOYSA-N	320.374	1.333	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc3c(s2)CCC3)n1C	21782110	OJBYCOHQLPRXCL-UHFFFAOYSA-N	303.387	1.959	50	20	DDGD	
O=C(NNC(=O)C1[C@@H]2CCC[C@@H]12)c1cc(Br)c[nH]1	177613778	ZZYWRBYJCFIOAM-HTQZYQBOSA-N	312.167	1.584	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cccc(-n2ccnn2)c1	179073519	CKEDJZXLEAPLNZ-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1cnc(Cl)c(C)c1	117229032	MSXOEUUFAOXMDH-UHFFFAOYSA-N	320.802	1.336	50	20	DDGD	
COc1ccccc1CCC(=O)NNC(=S)N[C@@H](C)C1CC1	175547670	IFDTYAJSEPMEGW-NSHDSACASA-N	321.446	1.922	50	20	DDGD	
Cc1ccc(-c2nc(C(=O)NNC(=O)NC(C)C)cs2)n1C	120060535	WRYLCNFHHHQJJW-UHFFFAOYSA-N	321.406	1.809	50	20	DDGD	
CCc1ccc([C@@H](COC)NC(=O)NNC(=O)c2ccc[nH]2)o1	175627159	ZKEGZLBEYONGBJ-GFCCVEGCSA-N	320.349	1.502	50	20	DDGD	
Cc1nscc1C(=O)NNC(=O)c1cccc(N(C)C)c1	179665837	DTBSDJNUYCONNW-UHFFFAOYSA-N	304.375	1.592	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)Nc2cccnc2)n1	122022269	WHWGSOVVLYMENY-UHFFFAOYSA-N	301.354	1.866	50	20	DDGD	
Cn1ccnc1SCC(=O)NNC(=O)c1ccccc1Cl	39586319	XRRNXJZXVIKLGA-UHFFFAOYSA-N	324.793	1.627	50	20	DDGD	
COCCn1cc(NC(=O)NNC(=O)CC2CCCC2)cn1	184398984	DHZSXAOXDTUSCN-UHFFFAOYSA-N	309.370	1.263	50	20	DDGD	
CC(C)(Oc1ccc(C#N)cc1)C(=O)NNc1ncc(F)cn1	123047320	JYQQMLYLUUQSTA-UHFFFAOYSA-N	315.308	1.788	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)CNC(=O)NCc2ccco2)c1	127774848	UUGQKNOIDZNLCK-UHFFFAOYSA-N	320.324	1.670	50	20	DDGD	
CC1(C)C(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)C1(C)C	72834512	LYYYCEDFHZWCRR-UHFFFAOYSA-N	318.373	1.901	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1csnc1C	183120524	ZAWGLLFZVPZYHT-UHFFFAOYSA-N	305.359	1.464	50	20	DDGD	
O=S(=O)(NC[C@@H](O)C1CC1)c1ccc(CCCl)cc1	71309056	KWUFTETVWLOPPV-CYBMUJFWSA-N	303.811	1.517	50	20	DDGD	
Cc1nn(CCC#N)c(C)c1CCC(=O)NNc1ccccn1	181203604	TULOKNMQPNYBFA-UHFFFAOYSA-N	312.377	1.885	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2occc2C)cc1C	78996253	DZIVECQVQRXQSR-UHFFFAOYSA-N	315.329	1.605	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H]1OCCc2ccccc21	131701190	ZMUXWJZGJVBJBB-LBPRGKRZSA-N	300.318	1.242	50	20	DDGD	
Cc1cc(Cl)ccc1C(=O)NNc1ccc(C(N)=O)nn1	132410747	CBCWZSSDPPIKEF-UHFFFAOYSA-N	305.725	1.294	50	20	DDGD	
COc1nccnc1NNC(=O)COc1ccc(Cl)cc1C	131745596	KIGDZCGHYATVEP-UHFFFAOYSA-N	322.752	1.969	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Nc2cccc(F)n2)c1	134333263	CQQRJXXCKVZQNO-UHFFFAOYSA-N	318.308	1.761	50	20	DDGD	
CCOCCCC(=O)NNC(=O)COc1cc(C)cc(C)c1	48026964	SQPNZEORBIKIIU-UHFFFAOYSA-N	308.378	1.646	50	20	DDGD	
CC(C)CSCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	47077787	IQDOJTOBTCFOCM-UHFFFAOYSA-N	311.363	1.745	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@H](C)Cn1cccn1	46464558	SJFDZKAYLXESCW-GFCCVEGCSA-N	316.365	1.616	50	20	DDGD	
CO[C@H](CNC(=O)NNc1ncccn1)c1ccc(F)cc1	80596155	OBPRBJQXNXJYOX-GFCCVEGCSA-N	305.313	1.630	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Cc2ccc(F)cc2F)c1	87241468	ZTUCDQKWLMNIMA-UHFFFAOYSA-N	315.279	1.840	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)C1(c2cccc(F)c2)CCCC1	190070549	LWOFUUVUBVYESE-UHFFFAOYSA-N	308.353	1.556	50	20	DDGD	
Cc1ccc(C(=O)N[C@H](C(=O)NNC(=O)N(C)C)C(C)C)cc1	194932899	OGZOYDDIOZKQQT-ZDUSSCGKSA-N	320.393	1.052	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCCOc1ccc(F)cc1	97075655	XGESIJYLGQNYBR-UHFFFAOYSA-N	319.336	1.784	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc(OC2CCOCC2)cc1	266116142	NQTIQLNZGIZARW-UHFFFAOYSA-N	321.377	1.597	50	20	DDGD	
O=C(Cc1ccccc1Br)NNC(=O)C1CCC1	264771787	OOKHVWPJXQBEFK-UHFFFAOYSA-N	311.179	1.939	50	20	DDGD	
O=C(CCc1nc(-c2ccoc2)no1)NNC(=O)C1CCC1	266033055	RNFJKJGANKTNHO-UHFFFAOYSA-N	304.306	1.210	50	20	DDGD	
CC(=O)Nc1cccc([C@@H](C)NC(=O)NNC(=O)C2CCC2)c1	264765604	UWSPKDNKBCEDNZ-SNVBAGLBSA-N	318.377	1.837	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1cc2c(cc1OC)CCC(=O)N2	274310633	FVCKXPHDHRQYSE-PKNBQFBNSA-N	315.329	1.962	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccc(NC(=O)N(C)C)c1	272660945	HONPSFKWEONUSL-UHFFFAOYSA-N	307.354	1.086	50	20	DDGD	
C=C(C)[C@@H](CC(=O)NNC(=O)Cn1nc(C)cc1C)OCC	270138301	QZOMTQQZZDEUTO-CYBMUJFWSA-N	308.382	1.019	50	20	DDGD	
CCCCOc1ccccc1NC(=O)C(=O)NNC(=O)C1CC1	274093570	UOSIRLWPRHAMHS-UHFFFAOYSA-N	319.361	1.361	50	20	DDGD	
O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NNc1ccc(-n2ccnc2)nn1	278506567	AJOBFOCYWVMXQP-RWMBFGLXSA-N	312.377	1.932	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cccc(-c2cnco2)c1	372015855	OEXDGERUTOXKPV-UHFFFAOYSA-N	318.289	1.057	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cncnc1	274401483	ZAIXESGAAZMKMF-UHFFFAOYSA-N	315.377	1.846	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@H]1CCc2ccccc2OC1	374899223	DMPMSEGWCZCFAE-LBPRGKRZSA-N	314.345	1.353	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)c2ccc[nH]2)CCO[C@@H]1C1CC1	375111088	NXMJARDEHHKOPH-DOMZBBRYSA-N	306.366	1.164	50	20	DDGD	
CCc1c(C(=O)NN(C)CCOC)cnn1-c1ccccn1	288501396	MKYJPRQMHWOBCN-UHFFFAOYSA-N	303.366	1.053	50	20	DDGD	
Cc1cn(-c2ccc(F)cc2)nc1C(=O)NNC(=O)NC1CC1	283216782	NWFGIUUHUHPRPJ-UHFFFAOYSA-N	317.324	1.426	50	20	DDGD	
COc1ccc2c(c1)C[C@@H](C(=O)NNc1ncccc1F)CO2	286048660	RGQCWNFSRJKRRY-LLVKDONJSA-N	317.320	1.924	50	20	DDGD	
CCn1c(NNC(=O)[C@](C)(C#N)CC)nc2ccccc2c1=O	285522692	QVJZYZAZLFDLAG-INIZCTEOSA-N	313.361	1.799	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNc2ncccc2F)c1F	807300475	DCKCHQYMNOSZKM-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
O=C(/C=C/c1ccco1)NNC(=O)Nc1ccc2c(c1)OCO2	802106524	JDIXBUWQLIRUBH-GQCTYLIASA-N	315.285	1.874	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cc2ccccc2c(Cl)n1	294655247	NIRCSYNFJGTAAF-LBPRGKRZSA-N	319.748	1.828	50	20	DDGD	
CCC[C@H](CNC(=O)NNC(=O)Cc1ccccc1F)OC	296867226	MKAGHZQPKXWWJG-GFCCVEGCSA-N	311.357	1.514	50	20	DDGD	
O=C(NNc1ncccc1F)c1cn(Cc2ccccc2)nn1	804216156	BCSAXKLFVMMRQG-UHFFFAOYSA-N	312.308	1.617	50	20	DDGD	
CS(=O)(=O)c1ccccc1C(=O)NNc1cccc(F)n1	804772223	BRHULKYMDMWSGH-UHFFFAOYSA-N	309.322	1.381	50	20	DDGD	
COc1cccc([C@H](C)NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	297311374	IHRVQBKSKQOWDK-MJVIPROJSA-N	321.377	1.654	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)c2cccc(OC)c2O)no1	294790543	HOMZSZSMQRPFMZ-UHFFFAOYSA-N	319.317	1.416	50	20	DDGD	
CCOC1CC2(CCN(C(=O)NNC(=O)C3CCCC3)C2)C1	805351068	CLJJGMROUUDNAJ-UHFFFAOYSA-N	309.410	1.808	50	20	DDGD	
CC(C)(C)[C@@H](NC(N)=O)C(=O)NNc1nccnc1C1CCC1	805465107	UBUREXXJNAOMNB-NSHDSACASA-N	320.397	1.270	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=O)COc2ccccc2O)o1	293488603	SYGZFGAZQSSOFF-UHFFFAOYSA-N	319.317	1.091	50	20	DDGD	
CC(=O)Nc1ccccc1CC(=O)NNc1cccc(F)n1	804772332	GNWBEJYSKPWNSC-UHFFFAOYSA-N	302.309	1.865	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CC(=O)N(c2ccc(C)c(F)c2)C1	804121975	SXFSABVFIKCCHP-JTQLQIEISA-N	323.324	1.216	50	20	DDGD	
COC(=O)c1cc(C(=O)NNC(=O)c2ccccc2C)c[nH]1	814251944	YDNAGLGEFYPXDM-UHFFFAOYSA-N	301.302	1.185	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CC(C)(C)Oc2ccc(O)cc21	814777297	RVXVTYHWSKXHMV-UHFFFAOYSA-N	319.361	1.298	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NN=Cc2cccc(C)c2O)c1	814882181	IUFINMLFSOIATC-UHFFFAOYSA-N	312.329	1.818	50	20	DDGD	
O=C(CCn1cnccc1=O)NNc1ccc2ccccc2n1	815969382	QYRRSSRJVNNVLZ-UHFFFAOYSA-N	309.329	1.325	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=CC2(C)COC2)cc1	814747136	JTYABEIVGHNTAC-LBPRGKRZSA-N	306.362	1.991	50	20	DDGD	
CC(=NNC(=O)Cc1cccnc1)c1cc(C(=O)O)cs1	814838029	WGJJAMYYCLFMNF-UHFFFAOYSA-N	303.343	1.924	50	20	DDGD	
COc1ccc(NC(=O)NN=C2CCS(=O)(=O)CC2)cc1	814999676	KAUYVVHBXNIPCG-UHFFFAOYSA-N	311.363	1.381	50	20	DDGD	
O=C(CCCC[C@H]1CCSS1)Nn1c(O)nnc1O	816730718	MBCVNADUILKULN-ZETCQYMHSA-N	304.397	1.474	50	20	DDGD	
C[C@H]1CCc2c(C(=O)NNC(=O)c3ccnnc3)csc2C1	817692451	PAXKNPOSKNQGHE-VIFPVBQESA-N	316.386	1.738	50	20	DDGD	
Cn1nncc1NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	816770300	RDMOWNYKHXMXHC-UHFFFAOYSA-N	301.285	1.101	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)c1cccc2cccnc12)OC	811870503	IUMLCVUCTJJBHA-GFCCVEGCSA-N	316.361	1.604	50	20	DDGD	
CC(=NNC(=O)C(N)=O)c1sc(Cc2ccccc2)nc1C	814696635	LGUSZUWEITWYKC-UHFFFAOYSA-N	316.386	1.368	50	20	DDGD	
NNC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1	818894015	GLGMGJWMOYWHFI-UHFFFAOYSA-N	303.322	1.738	50	20	DDGD	
CC(Cn1cccn1)=NNC(=O)[C@H](C)Oc1ccc(F)cc1	814751953	VFLRLTZKNHNGFE-LBPRGKRZSA-N	304.325	1.982	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cc(C)n(C2CCCCC2)n1	810385562	UKAJQLCAKVDZHS-UHFFFAOYSA-N	321.381	1.193	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C1(c2ccc(N(C)C)cc2)CC1	814892255	PBYCORXNNZFWLM-UHFFFAOYSA-N	303.406	1.978	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2cc3n(n2)CCO3)o1	810261005	AOJAHOYAFFMJOQ-UHFFFAOYSA-N	302.294	1.015	50	20	DDGD	
CC(C)N1CCC[C@H]1C(=O)NNCC(F)(F)C(F)(F)F	827489238	YSNVCZUIKHQOJL-QMMMGPOBSA-N	303.275	1.678	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O	823762485	DNTQSDDPHOTSQP-OLZOCXBDSA-N	324.425	1.298	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)C[C@@H]1CCCOC1	822731006	DMHKSLBRRFFJSG-JTQLQIEISA-N	310.325	1.872	50	20	DDGD	
CCOC(=O)c1cc(C(=O)NNc2cc(C)nc(C)n2)[nH]c1C	825944535	AIORTVXHNMAPFE-UHFFFAOYSA-N	317.349	1.664	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@H]1CCN(c2ccccc2)C1	822781441	AXYLELMUTAPVMR-ZDUSSCGKSA-N	302.378	1.253	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NNc2cccc(F)n2)cc(C#N)n1C	490937160	CGJZJEFPPDEXIH-WUXMJOGZSA-N	324.319	1.790	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)NNc1cccnn1	495958937	XYZFETOYHITWKM-NXEZZACHSA-N	309.370	1.469	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1	823902288	PCKWTVDUWMUTJS-KWQFWETISA-N	306.284	1.083	50	20	DDGD	
CN1C(=O)CC[C@@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	820878679	HVQHIMJOCYULNJ-MRVPVSSYSA-N	302.256	1.164	50	20	DDGD	
C[C@@H](CC(=O)O)C(=O)NNC(=O)Cc1ccc2ccccc2c1	827304342	RYEKEFRCDYUNDR-NSHDSACASA-N	314.341	1.641	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC(CCN2CCOCC2)CC1	491007684	GKAQPUSDYUEEDW-PEZBUJJGSA-N	321.421	1.391	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NC[C@@H](O)C2CCC2)cc(C#N)n1C	491083672	MHOPDLGWNWLWMU-SZCQRLSZSA-N	312.373	1.389	50	20	DDGD	
CC[C@H](CC(C)C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C	496961713	KSBOWMUBVYXWOK-LLVKDONJSA-N	315.414	1.731	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cc3n(n2)CCCC3)c1	825700034	OPRYXQRWDDYKRI-UHFFFAOYSA-N	309.329	1.166	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1c(-c2ccccc2)noc1C	725908673	NJCUORWOWVMORT-UHFFFAOYSA-N	316.386	1.945	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1CC(=O)NNc1ccc(-c2nn[nH]n2)cc1	824908543	PGQIZAMLSFUBIE-PHIMTYICSA-N	315.381	1.183	50	20	DDGD	
COCC(=O)NN[C@H](C(=O)OC)c1cccc(C(F)(F)F)c1	905765236	BKMDBIKQISXNQI-NSHDSACASA-N	320.267	1.187	50	20	DDGD	
CN(CCCNC(=O)NNc1ccccn1)C(=O)OC(C)(C)C	491414974	ASKOQODZFBWKQI-UHFFFAOYSA-N	323.397	1.965	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)C1CCN(Cc2ccccc2)CC1	823965399	MDNMPZRPCQZAAA-CQSZACIVSA-N	305.422	1.242	50	20	DDGD	
COc1ccc(CN(C)CC(=O)NNC(=O)C(C)C)cc1C	827674036	CKNJUXXEHQVWST-UHFFFAOYSA-N	307.394	1.239	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2(C(=O)C3CC3)CC2)c1	828091845	YSNDYISYDVCHAY-UHFFFAOYSA-N	302.330	1.676	50	20	DDGD	
COc1ccccc1CC(C)=NNC(=O)[C@@H]1CCS(=O)(=O)C1	730576582	SUGISUSNLBRJFI-CYBMUJFWSA-N	324.402	1.165	50	20	DDGD	
CCNC(=O)[C@@H](NC(=O)[C@]1(C)C[C@@H]1Br)C(C)C	908403012	KYCVHPZMXDCTGZ-HOTUBEGUSA-N	305.216	1.437	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)[C@H](C)CC(=O)O)cc2C1	828309316	BMADZTWIVAEWQN-DTWKUNHWSA-N	324.402	1.745	50	20	DDGD	
CCN(C[C@H](C)C#N)S(=O)(=O)NN(C)C(=O)OC(C)(C)C	496453171	KMWOZXWFJCVCTA-SNVBAGLBSA-N	320.415	1.084	50	20	DDGD	
OB(O)c1ccc(CNc2cccc(COCC3CC3)c2)o1	585012196	OVBKSCMQMJONGH-UHFFFAOYSA-N	301.151	1.498	50	20	DDGD	
O=C(CN1CC=C(c2ccc(O)cc2)CC1)NNC(=O)C1CC1	733193581	XVGCFAJVGIKHLB-UHFFFAOYSA-N	315.373	1.039	50	20	DDGD	
CCCNC(=O)OC[C@@H]1CCCCN1C(=O)/C(C#N)=C/OCC	490938054	DTFNVKSQXAVEDZ-CMPYXILNSA-N	323.393	1.948	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1cc(C)c(F)c(C)c1	901965345	COFQZULZPMKLIN-UHFFFAOYSA-N	312.366	1.556	50	20	DDGD	
CCOC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	733429119	ABUGWAYGNHDMTG-XXLSNGBASA-N	315.329	1.607	50	20	DDGD	
CC(C)(C)OC(=O)NOCC(=O)NNc1c(F)cccc1F	907097014	LPSWLNNFKCKSQI-UHFFFAOYSA-N	317.292	1.864	50	20	DDGD	
CN(CC(=O)NNc1cccc(C(=O)O)c1)C(=O)OC(C)(C)C	833692763	VTYDXCWHNJGDTO-UHFFFAOYSA-N	323.349	1.695	50	20	DDGD	
CC(C)CC[C@H]1CCCCN1C(=O)c1ccc(B(O)O)c(F)c1	584962315	LORVKMDZUXWCFE-CQSZACIVSA-N	321.201	1.936	50	20	DDGD	
C#CCCCCCC=NNC(=O)c1ccc(-n2cnnn2)cc1	834930462	GPIHFTPEZUNFDF-UHFFFAOYSA-N	310.361	1.962	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(C[C@H]1CCOC1)C1CC1	732197020	AZVQBHBHKBCVJQ-CHWSQXEVSA-N	311.426	1.069	50	20	DDGD	
Cc1nn(C)c2ncc(C=NNC(=O)[C@H]3CCCCO3)cc12	834990616	YULFVUBUPDGPLN-CYBMUJFWSA-N	301.350	1.296	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	733806967	ODTIJBLGTLHPEV-CKYFFXLPSA-N	310.375	1.101	50	20	DDGD	
COC(=O)[C@@H](c1cccc(C(=O)O)c1)N1CC=C(C#N)CC1	833702688	XRYPOQOJPVWDBP-CQSZACIVSA-N	300.314	1.755	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC(OC(C)C)CC1	732201520	DWUBWFBTDSSXED-CYBMUJFWSA-N	313.442	1.458	50	20	DDGD	
C[C@@H]1C[C@@H]1C(=O)NNC(=O)CSc1ccccc1[N+](=O)[O-]	730592347	HGAOGZZDBQYJHX-BDAKNGLRSA-N	309.347	1.490	50	20	DDGD	
CN1CCC[C@@H](CCNC(=O)NNc2cncc(Cl)n2)C1	838765285	GPYMNGBZQIAXJA-JTQLQIEISA-N	312.805	1.488	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc2ccccc2nc1O	731852856	JJFXVVHKJCEUBA-UHFFFAOYSA-N	311.301	1.047	50	20	DDGD	
Cn1c(CCNS(=O)(=O)CCl)nc2c(F)cccc21	830435915	WRBFPQPDUAPJGE-UHFFFAOYSA-N	305.762	1.371	50	20	DDGD	
CCOCCOC1CN(C(=O)[C@]2(C)C[C@H]2Br)C1	907235482	HESNOKYXCSJKFK-ZYHUDNBSSA-N	306.200	1.424	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1	732751898	VDOZQVCZKOPVGO-QWHCGFSZSA-N	309.410	1.219	50	20	DDGD	
CC(C)(C)[C@H](O)C(=O)NNc1cccc(Br)n1	837212001	NSTNUQJJUDUOQI-SECBINFHSA-N	302.172	1.694	50	20	DDGD	
COCc1cc(NC(=O)NNC(=O)C(C)C)cc(C(=O)OC)c1	836644717	VIFKZVZPNAEBBC-UHFFFAOYSA-N	323.349	1.428	50	20	DDGD	
O=C(NN=Cc1cnn(Cc2ccccc2)c1)[C@H]1CCCCO1	834989371	RTXYKTHHDKLVSE-MRXNPFEDSA-N	312.373	1.951	50	20	DDGD	
C[C@@H]1CCC[C@H](CNC(=O)NNC(=O)N=c2cc[nH]cc2)C1	837826452	LFOZSXAWUBMMAV-NEPJUHHUSA-N	305.382	1.666	50	20	DDGD	
COc1ccc(C(=O)NCC(Cl)Cl)cc1OCCO	837645200	HDMZYXCQVITJMG-UHFFFAOYSA-N	308.161	1.600	50	20	DDGD	
COC1([C@@H](C)NCC(=O)NNC(=O)c2ccc(F)cc2)CCC1	839661476	WISKEOXJXBZJFD-LLVKDONJSA-N	323.368	1.134	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCCCO2)cc([N+](=O)[O-])c1O	834987733	ATVUMNULXSVFOL-NSHDSACASA-N	323.305	1.328	50	20	DDGD	
COc1cc(C)nc(NNC(=O)COc2cccc(C=O)c2)n1	746634308	BCZWYEXBRLJRPT-UHFFFAOYSA-N	316.317	1.128	50	20	DDGD	
CCC[C@H](OC)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	837797296	RLHDFQQXUFBGOX-ZDUSSCGKSA-N	322.361	1.114	50	20	DDGD	
O=C1C[C@H]2C[C@@H]1[C@H](C(=O)NNc1nc(-c3ccccc3)no1)C2	837408206	NQPBXKHPCCPPMJ-MVWJERBFSA-N	312.329	1.795	50	20	DDGD	
O=C(NN=C1COc2cc(O)ccc21)c1ccc2c(c1)OCO2	915941553	QNIFTNBUUOGMQC-UHFFFAOYSA-N	312.281	1.647	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc(Cl)ccc1[N+](=O)[O-]	747597193	JCUCMTYKHAQTMC-UHFFFAOYSA-N	322.708	1.662	50	20	DDGD	
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NN(C)C[C@H](C)O	910176869	FSLRWQBAQAFZFE-LRDDRELGSA-N	317.389	1.294	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)CC2CCCC2)c1C(F)(F)F	749940853	SXTQMIAEMFWIEX-UHFFFAOYSA-N	318.299	1.780	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(O)c2ccccc2c1	843970860	MFGISCZCVJMLQQ-GWCFXTLKSA-N	314.341	1.731	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@@H](C[C@H]1CCCO1)C(F)(F)F	845299787	NULLLKRPDWXSSO-NXEZZACHSA-N	323.315	1.474	50	20	DDGD	
COC(=O)[C@H](C)n1cccc1C=NNC(=O)[C@@H]1CCO[C@@H]1C	842562747	SANKWYQGWJAAPC-DMDPSCGWSA-N	307.350	1.097	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O)C1CC1	742033677	SGUMVACRWVKAAS-LBPRGKRZSA-N	321.764	1.250	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CNC1(c2ccc(F)cc2)CC1	744398767	ZJFFPEQPZOUUKO-UHFFFAOYSA-N	307.369	1.598	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@H]2CC[C@@H]2C(N)=O)cc1C	848107390	CJHLUYOEQAXRJB-STQMWFEESA-N	319.361	1.126	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1ccc(O)c([N+](=O)[O-])c1	749621030	GJRRDCVWEVZEBP-UHFFFAOYSA-N	303.278	1.188	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)COCCOC)sc1C	914878867	COBXBPVHTHAHMS-UHFFFAOYSA-N	314.407	1.433	50	20	DDGD	
COc1ccc(CNC(=O)NNc2cncc(Cl)n2)cc1O	916642414	YYDXBZBNLJUTPV-UHFFFAOYSA-N	323.740	1.671	50	20	DDGD	
CCN(CCO)NC(=O)c1ccn(-c2cc(F)cc(F)c2)n1	911440011	QHVYEXKSEVGTSC-UHFFFAOYSA-N	310.304	1.110	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCCc2c(O)cccc21	843972155	SXHKIYMIRQJQMA-MISXGVKJSA-N	318.373	1.385	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccc2c(c1)CC(=O)N2	842554004	HYVFIDPEVWIIJK-ZWNOBZJWSA-N	301.346	1.446	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H]2C[C@@]23CCc2ccccc23)nc1O	743295806	RNOHFCXIIAKAHO-BLLLJJGKSA-N	311.345	1.233	50	20	DDGD	
CC(C)NC(=O)NNC(=O)Cc1cc2ccccc2nc1O	745139481	LLLMGXGNHRBESJ-UHFFFAOYSA-N	302.334	1.222	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCc1ccccc1Cl	843649255	UGUIXGYUHLVHKU-CMPLNLGQSA-N	310.781	1.845	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1F	843653980	GLIGDTXFZDZEDJ-CMPLNLGQSA-N	324.352	1.339	50	20	DDGD	
COc1cccc([C@@H]2C[C@H]2CNC(=O)NNc2ncccn2)c1	840468348	DTKXHISVZYRGNA-JSGCOSHPSA-N	313.361	1.915	50	20	DDGD	
CCS[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ncccn1	841579572	NMNBVNFYJZMBSM-QWRGUYRKSA-N	323.422	1.485	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NN=c2cc[nH]c3ccccc23)c1	743338410	ASYQICHGQBYCKI-UHFFFAOYSA-N	320.352	1.773	50	20	DDGD	
Cn1c(NNC(=O)C2(C(=O)NC3CC3)CC2)nc2ccccc21	848379229	FLEUWLPZRVBQPV-UHFFFAOYSA-N	313.361	1.075	50	20	DDGD	
Cc1cnc(CCNC(=O)NNC(=O)CC(F)(F)F)c(C)c1	847413559	UOIHXQWHQYQGPI-UHFFFAOYSA-N	318.299	1.524	50	20	DDGD	
O=C(O)[C@H](Cc1ccncc1)NS(=O)(=O)CCCCCl	846775157	WHGVVUKVQVZYMF-NSHDSACASA-N	320.798	1.016	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CCCS2)cc1	750899674	CIIFGGQCJSTZAR-LBPRGKRZSA-N	322.386	1.195	50	20	DDGD	
Cc1nc(CC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)n[nH]1	854206570	YAEOQEBGBRLBQQ-UHFFFAOYSA-N	315.377	1.414	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1cccc([N+](=O)[O-])c1	755335791	IAQMUXGVKSCFKS-UHFFFAOYSA-N	304.266	1.093	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)c1cccc(C#N)c1)C1CC1	852555297	PEUGPVLAJCOYMX-AWEZNQCLSA-N	300.362	1.097	50	20	DDGD	
COc1ccc([C@@H]2C[C@H]2C(=O)NNc2ncnc3[nH]cnc23)cc1	857130992	WRVTYEDPZUWYPV-NWDGAFQWSA-N	324.344	1.608	50	20	DDGD	
CC(C)c1ccc(CCNC(=O)NNC(=O)c2cn[nH]c2)cc1	858089730	FFWIINCDLVRPHD-UHFFFAOYSA-N	315.377	1.720	50	20	DDGD	
CCn1nccc1C=NNC(=O)COc1ccc(OC)cc1	753688208	DQCOLZUWQIGKSI-UHFFFAOYSA-N	302.334	1.441	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](C)COCC1CCCCC1	925742257	REOXCFWAMDUPKA-LLVKDONJSA-N	301.387	1.884	50	20	DDGD	
CCCCn1cc(C(=O)NNC(=O)c2cccc(F)n2)c(C)n1	856422750	CSSOOYGQYXWADC-UHFFFAOYSA-N	319.340	1.601	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@@H]1CC12CCC2	759689725	PBEQRLCYOITCKO-LBPRGKRZSA-N	318.373	1.802	50	20	DDGD	
C[C@@H]1CC(NC(=O)NNC(=O)c2cccc(F)n2)C[C@@H](C)O1	852235603	UMKMSDCCZBLRGZ-RKDXNWHRSA-N	310.329	1.121	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ncc(Cl)cn2)[C@@H]2CCCC[C@@H]2N1	857359057	PZGIHIGIBWPRRY-DCAQKATOSA-N	323.784	1.268	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@H](CCO)C2CC2)cc(C#N)n1C	757073780	RDGMIFRXUIKOKW-ACQAZONXSA-N	312.373	1.389	50	20	DDGD	
O=C(NN=Cc1cccc(O)c1Cl)[C@@H]1CN2CCC[C@@H]2CO1	853391067	XXFONOJGPQTZSH-YPMHNXCESA-N	323.780	1.359	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C1CN(Cc2ccccc2)C[C@@H]1C	751528363	FJBZYVXJNXUMEU-LBPRGKRZSA-N	311.389	1.956	50	20	DDGD	
C[C@H](NC(=O)NC[C@]1(C)C[C@H]1Br)[C@@H]1CCOC1	856836213	HOWKBQPHNMRJEL-XNDJQWLSSA-N	305.216	1.884	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1nc(-c2cccs2)oc1C	854925634	IZUVQJYBRSWAJZ-UHFFFAOYSA-N	310.404	1.792	50	20	DDGD	
C[C@]1(CNC(=O)COCc2cccnc2)C[C@H]1Br	857388460	SOMCOURZMJBOMA-DGCLKSJQSA-N	313.195	1.888	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NNc1ccc(C)c(F)c1	853934382	ULOLLLAJDNPPCF-DGCLKSJQSA-N	308.357	1.675	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C2CC(F)(F)C2)cc1C	753563133	MAPMIAYJPQKMIH-UHFFFAOYSA-N	312.316	1.875	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@H](C)CO[C@H]1CCOC1	853838067	CWJJWEVHEHNEME-YPMHNXCESA-N	311.357	1.954	50	20	DDGD	
CN(C(=O)NC[C@]1(C)C[C@H]1Br)[C@H]1CCCOC1	856959695	WZBKPLXVEUQEJO-UMNHJUIQSA-N	305.216	1.980	50	20	DDGD	
Cc1nn(C)c(OCC(F)(F)F)c1C=NNC(=O)N(C)C	756835958	YPWSCBPODZOWLB-UHFFFAOYSA-N	307.276	1.275	50	20	DDGD	
NC(=O)[C@H]1CC[C@H]1C(=O)NNc1nc2ccccc2[nH]c1=S	862293153	OCGHDZMCTWHHER-JGVFFNPUSA-N	317.374	1.247	50	20	DDGD	
O=C1CC[C@H](C(=O)NN[C@H](Cc2ccccc2)c2ccccc2)N1	863378384	BYUPWONTAJFWHG-IAGOWNOFSA-N	323.396	1.870	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C2(F)CCOCC2)cc1	869136518	XOCDIMCUPNUBAG-UHFFFAOYSA-N	310.325	1.364	50	20	DDGD	
C[C@@H](NNC(=O)c1cnn(C)c1Br)C(F)(F)F	862317540	ZGECXDNCAWTTMF-SCSAIBSYSA-N	315.093	1.368	50	20	DDGD	
CC[C@]1(C(=O)NNc2ccc(C(F)(F)F)cn2)CCNC1=O	867493387	KXJKZMQXACFPDN-LBPRGKRZSA-N	316.283	1.460	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cc2n(n1)CCCO2	761679306	XDGRYMOSFMEKNG-UHFFFAOYSA-N	319.273	1.802	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@@H](CO)CC(F)F	760682123	CGBXUHZFHGNXFJ-SVRRBLITSA-N	302.159	1.928	50	20	DDGD	
CCC(=O)c1cccc(NC(=O)C(=O)NNC(=O)C(C)C)c1	763822186	YWHBYWLRSPUOKW-UHFFFAOYSA-N	305.334	1.021	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1	769235955	LBBORGVVLIOGBM-RISCZKNCSA-N	315.439	1.418	50	20	DDGD	
Cc1cccc(NNC(=O)CCc2c(C)nc(C)nc2O)n1	863935487	WDZLKZQZLVHZGQ-UHFFFAOYSA-N	301.350	1.578	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@]2(c3ccccc3)CCCO2)n[nH]1	935140626	WNFFITJBYOPWLS-MRXNPFEDSA-N	314.345	1.185	50	20	DDGD	
C[C@@H](NNC(=O)[C@H]1CCCN1c1ncccn1)C(F)(F)F	862307842	REFWBZSCOMGVJN-RKDXNWHRSA-N	303.288	1.017	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NNC(=O)CC2CC2)c(OC)c1	861338574	YAWPDQUELHDJBN-UHFFFAOYSA-N	320.349	1.008	50	20	DDGD	
N#Cc1ccc(NNC(=O)CNC(=O)Cc2ccc(O)cc2)cc1	765602682	DQRBILNQEWBQPR-UHFFFAOYSA-N	324.340	1.066	50	20	DDGD	
Cc1cc(C(=O)NN=C2CN(Cc3ccccc3)C[C@H]2C)n[nH]1	764797182	NYWIQISIXJOOJX-GFCCVEGCSA-N	311.389	1.956	50	20	DDGD	
COCCCOc1cccc(C=NNC(=O)c2cn[nH]c2)c1	863155103	XBORRRQBWRSYBQ-UHFFFAOYSA-N	302.334	1.589	50	20	DDGD	
CCc1nn(C)c(CC)c1CC(=O)NN[C@H](C)C(F)(F)F	862316640	DXKBSLXXPLNQCB-MRVPVSSYSA-N	306.332	1.659	50	20	DDGD	
O=C(NN=Cc1ccc(OC[C@@H]2CCCO2)cc1)c1cn[nH]c1	863155976	GLXQFPZCUUFYJH-HNNXBMFYSA-N	314.345	1.731	50	20	DDGD	
Cc1ccc(C=NNC(=O)c2nn(C)c(=O)c3ccccc23)nc1	761805479	RHOMKGIVWUYDDG-UHFFFAOYSA-N	321.340	1.401	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CCCSC(C)(C)C)n[nH]1	869014203	DZDKOSUWIALZTJ-UHFFFAOYSA-N	312.439	1.720	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)c1ccncc1F	764049384	YSELGBXLGGHNQJ-UHFFFAOYSA-N	321.333	1.480	50	20	DDGD	
CC(C)c1scnc1NC(=O)NNC(=O)C1CCOCC1	879595486	LIYYZVXTOOVHFL-UHFFFAOYSA-N	312.395	1.846	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)COCC2CC2)c1	874947804	NRTOYIQFAIDRDJ-UHFFFAOYSA-N	311.382	1.878	50	20	DDGD	
O=C(C[C@H]1CCOC1)NNC(=O)c1nc2ccccc2s1	874913460	MJZLXSIIPOMMPD-SECBINFHSA-N	305.359	1.484	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cccc(-n2cnnn2)c1	772855026	ZRVWVUILLYXJAW-UHFFFAOYSA-N	324.348	1.333	50	20	DDGD	
O=C(NCC(Cl)Cl)Nc1cnn(C[C@H]2CCCO2)c1	878798026	IPEKBMTYHGSURK-SECBINFHSA-N	307.181	1.987	50	20	DDGD	
Cc1nc(N)c2c(C)c(C(=O)NNC(=O)C(C)C)sc2n1	777840986	UWCAQWFZOOQWHR-UHFFFAOYSA-N	307.379	1.307	50	20	DDGD	
O=C(NCCSCC(F)(F)F)NNC(=O)C1CCCC1	770290244	YOQQYSUAVMFCQI-UHFFFAOYSA-N	313.345	1.803	50	20	DDGD	
CCCCC[C@H](NC(=O)NNC(=O)C(=O)OC)c1ccccc1	1116181925	MMFFZZHIJLVVMS-ZDUSSCGKSA-N	321.377	1.811	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccn(Cc2ccccn2)n1	770034558	ACEHZXUDIWAEFP-UHFFFAOYSA-N	304.310	1.109	50	20	DDGD	
COC(=O)CNC(=O)NN=C1c2cccc(F)c2CC[C@H]1C	779817618	KWGAJOJLKBUMOI-SECBINFHSA-N	307.325	1.584	50	20	DDGD	
CNC(=O)Oc1cccc(OS(=O)(=O)CCCCl)c1	882395373	UOIMGOJKSNAJCP-UHFFFAOYSA-N	307.755	1.742	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N[C@H](CCO)c1ccccc1	774854305	YJHKMYMNOPLCHI-DZGCQCFKSA-N	321.421	1.282	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	770749036	MJZKQWBHZXDUAS-OAHLLOKOSA-N	310.350	1.016	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)c1ccc(CC)cc1)[C@@H]1CCCO1	773557632	FYQXDHXIVPJGEF-CABCVRRESA-N	315.373	1.374	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CC[C@H]1CCCO1	771997869	PMJSRIYUBBZKOV-NWDGAFQWSA-N	314.382	1.071	50	20	DDGD	
O=C1NCC[C@H]1C(=O)NNc1cc(Br)ccc1F	885149116	LGODGRYCJQXFFB-SSDOTTSWSA-N	316.130	1.167	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)N[C@@H](c1ccccc1)C1CC1	883089799	UGXQGCQFMFROLC-AWEZNQCLSA-N	311.345	1.572	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)c3ccccc32)cc1	789748832	XYRKERGMBHPEIQ-HNNXBMFYSA-N	319.320	1.689	50	20	DDGD	
C#CCOc1ccccc1CNS(=O)(=O)CCCCl	881898486	NXFZPSOSIJYJGB-UHFFFAOYSA-N	301.795	1.747	50	20	DDGD	
O=C1CCC[C@H]1[C@@H]1COCCN1S(=O)(=O)CCCCl	882054926	CQQBMOZFWJZLEI-QWRGUYRKSA-N	309.815	1.015	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)n1cc(-c2ccc(C)cc2)nn1	881293411	PNIRAFJVKYLGSK-LLVKDONJSA-N	301.350	1.372	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@@H]1CCCN(Cc2cccnc2)C1	780759239	FJEXBSYMDJXBHT-OAHLLOKOSA-N	311.389	1.254	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)c1c[nH]nc1C1CC1	789735295	LHQMXPKDRJYRMR-UHFFFAOYSA-N	324.344	1.098	50	20	DDGD	
CC(C)(C)[C@@H]1CCN(CC(=O)NNC(=O)c2ccccc2)C1	784516274	MKNWPRBWHZJNAR-CQSZACIVSA-N	303.406	1.816	50	20	DDGD	
Cc1nscc1C(=O)NNC(=O)Cc1c[nH]c2ccccc12	781236092	BTPQAOXLLKBFMG-UHFFFAOYSA-N	314.370	1.937	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2cnn(C(C)(C)C)c2)c1	783934390	QLOWGQRVJRDYOZ-UHFFFAOYSA-N	316.365	1.423	50	20	DDGD	
Cc1[nH]c2c(C(=O)NNC(=O)C3CCOCC3)cccc2c1C	883060958	CNLAYEQZIVWEBV-UHFFFAOYSA-N	315.373	1.972	50	20	DDGD	
COC(=O)Cc1cccc(C(=O)NNc2ccc(OC)cn2)c1	781533845	AGODKQPNSKCGGI-UHFFFAOYSA-N	315.329	1.563	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)/C=C/c2ccc[nH]2)c1	783507976	LCECGZHDIYJCSJ-AATRIKPKSA-N	315.329	1.506	50	20	DDGD	
O=C(NN=Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCC1	783834892	BWALERWNZGWURN-UHFFFAOYSA-N	324.724	1.321	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@H](C(=O)NNc2cnnc3ccccc23)C1	787998938	DTTBXIIXDLVRSQ-MNOVXSKESA-N	313.361	1.365	50	20	DDGD	
O=C(NCC(F)(F)c1ccccc1)NNC(=O)c1ccc[nH]1	788849451	WHSRXNUPXFUCEK-UHFFFAOYSA-N	308.288	1.751	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNC(=O)c1ccc2c(c1)OCO2	784289250	HMVGJPUJVFBVJE-UHFFFAOYSA-N	301.302	1.137	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N=S1(=O)CCOCC1	891366437	CQWSORGKPUHJSV-XFXZXTDPSA-N	306.343	1.324	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNc1nccc2sccc12	894960744	GRGNCDCUJWQDHD-NXEZZACHSA-N	305.359	1.939	50	20	DDGD	
C/C=C(\CC)C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	789232366	MELWEQSAROFRHR-UUILKARUSA-N	304.346	1.656	50	20	DDGD	
N[C@](C(=O)NNC(=O)C1CC1)(c1cccc(F)c1)C(F)(F)F	788262604	FWNBBHAFQWBYTM-LBPRGKRZSA-N	319.258	1.099	50	20	DDGD	
CN1CCC[C@@H]1c1cc(C(=O)NNc2ccc(Cl)nc2)n[nH]1	896766698	WLCSEWBMQQNDJP-GFCCVEGCSA-N	320.784	1.982	50	20	DDGD	
CCn1cc(NC(=O)C(=O)NNc2cc(Cl)ccn2)cn1	784861501	KJTLDDUPGLXRQV-UHFFFAOYSA-N	308.729	1.033	50	20	DDGD	
C[C@@](O)(CC(=O)NNc1ncncc1Cl)c1ccccc1	781834327	UZJCRCDEJVLLCP-CQSZACIVSA-N	306.753	1.871	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@H]2CCC(F)(F)C2)o1	797552094	SBUIBCLWJQRKKQ-VIFPVBQESA-N	301.293	1.967	50	20	DDGD	
CCc1occc1C(=O)NNc1nc2ccccc2c(=O)n1C	797727292	KVPSRCFBZAKYCE-UHFFFAOYSA-N	312.329	1.846	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2F)n1	794080604	OUPXKBLYEGPRQL-UHFFFAOYSA-N	318.264	1.512	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2ccnn2-c2ccc(F)cc2)cn1	794514523	KWBSCSYZXWGORJ-UHFFFAOYSA-N	312.308	1.509	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1cc(C2CC2)no1	799695621	FLVDXLVPPXNRSQ-UHFFFAOYSA-N	321.358	1.712	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1nccn1-c1ccccc1	790167200	NFPWNTRLZDMKSW-ZDUSSCGKSA-N	316.361	1.374	50	20	DDGD	
Cn1c(=NNC(=O)CCc2cnccn2)sc2ccccc21	792942704	MRVJXTYJJKKXML-UHFFFAOYSA-N	313.386	1.595	50	20	DDGD	
N#Cc1ccc(C[C@@H](C#N)C(=O)NNC(=O)c2ccc[nH]2)cc1	792026317	REZNYKKEULEZJZ-ZDUSSCGKSA-N	307.313	1.030	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C(=O)c2ccccc2)c1O	792632811	CDNUZZUYHMZELA-UHFFFAOYSA-N	314.297	1.045	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NC[C@@H](CO)[C@@H]1CCOC1	797761833	HGLQVLXLWZYZMF-OUAUKWLOSA-N	322.243	1.557	50	20	DDGD	
O=S(=O)(CCl)N[C@H]1CCCN(Cc2ccccc2)C1	81558142	JIUCMXKTUMINKC-ZDUSSCGKSA-N	302.827	1.767	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1	794078339	YDKCGUWPQZICKX-UHFFFAOYSA-N	316.273	1.079	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=S)Nc1ccsc1	790317206	FNCUPCAQHMFZHI-MRVPVSSYSA-N	303.409	1.117	50	20	DDGD	
Cc1csc(C(=O)N2CC[C@H](B(O)O)C2)c1Br	585063553	BYWXJAFSRCBSJY-ZETCQYMHSA-N	318.001	1.508	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc(C(C)(C)C)nn2)n1	1320413098	RRJTYDDMMKADDQ-UHFFFAOYSA-N	317.353	1.721	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CCC[C@@H](F)C2)cc1	1326026110	BDONDLQRWSRDSG-OLZOCXBDSA-N	323.368	1.985	50	20	DDGD	
CC1=CCCN(C(=O)C(=O)NC[C@]2(C)C[C@@H]2Br)C1	1329559793	YFXIPBBVDZIEEC-GWCFXTLKSA-N	315.211	1.455	50	20	DDGD	
Cc1ncccc1CC(=O)NNC(=O)Cn1cnc2ccccc21	1326635729	JGWKDLRYGGYDIR-UHFFFAOYSA-N	323.356	1.130	50	20	DDGD	
Cc1nnc(NNC(=O)c2cc(C#N)ccc2Cl)nc1O	1323048331	KEPAOMABXQCGQL-UHFFFAOYSA-N	304.697	1.168	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1CCO[C@H](c2ccncc2)C1	1330482992	QWTMEVOODFFRCO-NEPJUHHUSA-N	308.338	1.214	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1nc(-c2ccccc2)c[nH]1	1338807263	PVZBKLPDSFUMCW-UHFFFAOYSA-N	311.345	1.149	50	20	DDGD	
Cn1cc([C@H]2CN(C(=O)c3cccc(CCl)c3)CCN2)cn1	1339108176	WVZAWVBBQWWDSZ-OAHLLOKOSA-N	318.808	1.946	50	20	DDGD	
CC(=NNC(=O)c1n[nH]c2c1CCCC2)c1csc(N)n1	1337165058	MFRRQIZLVMYQSZ-UHFFFAOYSA-N	304.379	1.481	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNc1ccc(C(F)(F)F)nn1	1337149116	XCNZMFZXNLCREI-HTQZYQBOSA-N	304.272	1.754	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)NCCC(F)F)cc1	1343364816	VRWWYKWABOZLSA-UHFFFAOYSA-N	315.324	1.744	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCSC[C@H]1CO	1262617486	SOVLBLLUDAADQD-RKDXNWHRSA-N	310.257	1.732	50	20	DDGD	
CCOC(=O)c1ncc(C(=O)NNc2cccc(F)n2)s1	1342732826	WGHMDMCGDPHPBU-UHFFFAOYSA-N	310.310	1.611	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1CC[C@H]2C[C@@H](C)CN2C1	1348737909	NXYYYXYQAREHDM-UTUOFQBUSA-N	305.382	1.049	50	20	DDGD	
C[C@@H]1CC=C(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CC1	1344460875	RRKUXHURLXAOHI-SNVBAGLBSA-N	302.378	1.796	50	20	DDGD	
CC(=O)CCCC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1609061847	YRWKQMNVGXZHDH-UHFFFAOYSA-N	321.341	1.181	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)cccc1C(=O)O	1600052817	UROYNRKVOODQBB-MVWJERBFSA-N	302.330	1.752	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NOCCCC(=O)O)cc(C#N)n1C	1600009194	INBTWYKQSWBFQZ-SDQBBNPISA-N	316.317	1.025	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)cc(C)c1OS(=O)(=O)CCl	1609386445	NBUJRSCRZFWIMQ-UHFFFAOYSA-N	302.743	1.388	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)c1cn2cccnc2n1	1608480977	ZKGKKYVNYWWCBC-UHFFFAOYSA-N	315.264	1.324	50	20	DDGD	
C[C@@H](CC=NNC(=O)c1cc(Br)cn1C)C(=O)O	1604130032	ONFLGHJPRYPJGS-ZETCQYMHSA-N	316.155	1.614	50	20	DDGD	
O=C(Cc1cccc(C(=O)O)c1)NNc1ncccc1[N+](=O)[O-]	1601364364	ACWAXXSYYVKTSL-UHFFFAOYSA-N	316.273	1.374	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1cc(Cl)ccc1C(=O)O	1608331947	YPMUYCWSWTWBLO-UHFFFAOYSA-N	323.736	1.111	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H]2C[C@H]2C(=O)O)c(C(F)(F)F)c1	1608208577	FZJLYJCZTVMFAW-JGVFFNPUSA-N	313.235	1.741	50	20	DDGD	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)C(C)(C)c1ccccc1	1605034461	KUWVLGSBOVEQKC-HWPZZCPQSA-N	304.346	1.222	50	20	DDGD	
CCc1[nH]c(C=NNC(=O)OCC(F)(F)F)cc1C(=O)O	1605771436	ZMDZPUPOWWZHNT-UHFFFAOYSA-N	307.228	1.898	50	20	DDGD	
Cc1ccccc1[C@@H](NNC(=O)c1scnc1C)C(=O)O	1600570057	NMHBQLKDVYVHKS-LLVKDONJSA-N	305.359	1.820	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(C(=O)O)c(OC)c1	1602701810	YKBDZSPQOMBXRD-UHFFFAOYSA-N	319.317	1.350	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@H]1C(=O)NN=Cc1ccncc1	1549313826	GJRRGEOQTNAOHL-HIFRSBDPSA-N	313.361	1.433	50	20	DDGD	
O=C(NN=C1CC[C@@H]1c1ccccc1)[C@H]1CN2CCC[C@H]2CO1	1549319701	IVICGXGLRFAXDD-ZMSDIMECSA-N	313.401	1.899	50	20	DDGD	
CC(C)CO[C@H]1CS(=O)(=O)C[C@@H]1I	158191365	JGEDEIDODOWKHZ-YUMQZZPRSA-N	318.176	1.260	50	20	DDGD	
C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(C)N)cc1	1573646984	ZANGEVDLZHLNGF-LLVKDONJSA-N	311.407	1.195	50	20	DDGD	
CC(=O)c1cncc(C(=O)NNc2ncccc2C(=O)O)c1	1573359655	FWWNSUYUVLKVGU-UHFFFAOYSA-N	300.274	1.134	50	20	DDGD	
C/C(=C/CNS(=O)(=O)c1ccc(CCl)cc1)C(=O)O	1588982702	XVFJDMNSFQGHBN-TWGQIWQCSA-N	303.767	1.735	50	20	DDGD	
N[C@H]1C[C@H](C(=O)NNC(=O)c2ccc(Br)s2)C1	1580426896	GWUNOOHKKPHOBK-IZLXSQMJSA-N	318.196	1.009	50	20	DDGD	
O=C(NNc1nccnc1Cl)[C@@]1(c2ccccc2)CCNC1	1580742656	BLCXSVZFTLFVKD-HNNXBMFYSA-N	317.780	1.504	50	20	DDGD	
C[C@H](CC(=O)O)C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	1592359350	CIFRNMVWHYCBHR-ZCFIWIBFSA-N	301.686	1.802	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@@H]1CN1CCC[C@](O)(C2(C(=O)O)CCC2)C1	1594187310	FLGSQACTYIZALO-OZTPJHRESA-N	301.814	1.942	50	20	DDGD	
Cc1cc(NC(=O)NNc2ncc(F)cn2)ccc1C(=O)O	1594322760	BLUDHGSTLLOPBF-UHFFFAOYSA-N	305.269	1.771	50	20	DDGD	
Cc1cc(NNC(=O)C2(C(=O)O)CCCCCC2)nc(N)n1	1594325409	WLZOVBKBPVPEON-UHFFFAOYSA-N	307.354	1.236	50	20	DDGD	
O=C(O)/C=C\c1ccc(C=NNC(=O)c2ccc(O)c(O)c2)o1	1776058542	QGVVSXXKYJWVNM-MMQVGAAWSA-N	316.269	1.553	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc(/C=C/C(=O)O)cc1	1776118028	PKXMWCHUOZKVHP-FKEISFMISA-N	300.314	1.454	50	20	DDGD	
N#C/C(=C/c1ccc(CC(=O)O)cc1)C(=O)N=c1cc[nH]cc1	1777566022	ARZWFJSKOLTFQS-ZROIWOOFSA-N	307.309	1.676	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)cc1	16129926	TXQYVHQCIOWZJN-UHFFFAOYSA-N	312.269	1.645	50	20	DDGD	
COCCN1C[C@H](C(=O)NNc2cc(C)ccc2F)CC1=O	150799491	OZLYNVXZJLAAMD-LLVKDONJSA-N	309.341	1.072	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)c2cccn2C)c1C	161361241	JRQDWKBMEOECRB-UHFFFAOYSA-N	303.366	1.405	50	20	DDGD	
C[C@H](Sc1nnnn1C1CC1)C(=O)NNc1ccccc1F	152900625	FDBLZSUVBLZLCZ-QMMMGPOBSA-N	322.369	1.771	50	20	DDGD	
O=C(CCc1ccc(F)cc1)NNc1ncnc2nc[nH]c12	156332273	IQKNKCCPKSQTHU-UHFFFAOYSA-N	300.297	1.568	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)C23CC4CC(CC(C4)C2)C3)nn1	154385544	BLDPMBLGCGARGF-UHFFFAOYSA-N	315.377	1.235	50	20	DDGD	
CC(C)(C)C(=O)Cn1cc(C(=O)NNc2cccc(F)c2)nn1	154962833	NLTAVOOADXCRNZ-UHFFFAOYSA-N	319.340	1.789	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)c2ccncc2)c1C	159798253	KWLYUFITICKNRH-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
Cc1occc1CN(C)C(=O)NNC(=O)Cc1cccnc1	103518712	NEVPWQYKGTULNG-UHFFFAOYSA-N	302.334	1.398	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(C)Cc1cc(C(=O)OC)c(C)o1	178951444	IFGJIZIKTGQOMG-PKNBQFBNSA-N	306.318	1.777	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCc2ccncc2)c2ccccc21	9798591	VVXONKPEZJRSCY-UHFFFAOYSA-N	323.356	1.718	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cccc(F)c1Cl	173373290	XOWNTIPZUNURSA-UHFFFAOYSA-N	313.638	1.985	50	20	DDGD	
CCCN1CC[C@@H](CNC(=O)NNC(=O)c2ccccc2O)C1	54806288	QOTVTVZXHAQVHR-LBPRGKRZSA-N	320.393	1.068	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Cn1ccc2ccccc21	103423119	NUPWQBBTBDELPM-UHFFFAOYSA-N	308.341	1.426	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2(C#N)CCCCC2)c(O)c1	57432811	ZYXGMZKVMHYMBX-UHFFFAOYSA-N	301.346	1.936	50	20	DDGD	
O=C(CCCOCc1ccccc1)NNC(=O)c1ccccn1	50535461	DCNHWYMHGZONGL-UHFFFAOYSA-N	313.357	1.840	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(Cl)c(F)c1)C(=O)N(C)C	175310818	GZELIXZJBSSMNM-SSDOTTSWSA-N	302.737	1.582	50	20	DDGD	
CC(C)N1CC[C@@H](NC(=O)NNc2ccccc2Cl)C1=O	172234121	HHXAWDZNCXKPJB-GFCCVEGCSA-N	310.785	1.975	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CN(C)C)cc(C)c1OC(F)F	113427987	AAAHOVCAVQGOCT-UHFFFAOYSA-N	315.320	1.227	50	20	DDGD	
COC[C@H](C)NC(=S)NNC(=O)c1cccc2ncccc12	25435690	DACRPCDTNKMYIT-JTQLQIEISA-N	318.402	1.379	50	20	DDGD	
CC[C@H](C)C(=O)NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1	111054513	OSVKRSJUSSOGPW-QMMMGPOBSA-N	306.370	1.364	50	20	DDGD	
CCc1ncsc1NC(=O)C(=O)NNC(=O)CC(C)(C)C	126170811	BQXQBGSKGUZIRV-UHFFFAOYSA-N	312.395	1.228	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(OC(F)F)cc1)C(=O)N(C)C	170682451	MXWZWGZOMRWQST-QMMMGPOBSA-N	316.308	1.391	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CC(=O)NNc1c(F)cccc1F	118509849	IGXQVZYHVHPEJP-UHFFFAOYSA-N	311.248	1.521	50	20	DDGD	
CCSCC[C@H](C)NC(=O)NNC(=O)Cc1cccnc1	176394134	ZUNUEKIAHRTHIW-NSHDSACASA-N	310.423	1.486	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cc(C(F)(F)F)ccc1F	123597192	XKDDPASVLBODPM-JTQLQIEISA-N	320.242	1.785	50	20	DDGD	
CC(C)C[C@@H]1COCCN1S(=O)(=O)CBr	782443894	AVAFIYAIOZZOCJ-SECBINFHSA-N	300.218	1.416	50	20	DDGD	
O=C(Cn1cc(-c2ccccc2)nn1)NNC(=O)c1ccccc1	123046222	YYUIRKCRPFHNOW-UHFFFAOYSA-N	321.340	1.406	50	20	DDGD	
N#CC1(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)CCCC1	128598421	YEDBIXRHRRTFTE-UHFFFAOYSA-N	323.356	1.922	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NCc1nccs1	124208005	LEYSFIGEYWWPFW-UHFFFAOYSA-N	320.374	1.190	50	20	DDGD	
O=C(CSc1ncc[nH]1)NNC(=O)c1ccccc1Cl	78993477	HNXYDKJHCQZAHD-UHFFFAOYSA-N	310.766	1.616	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	123175284	WWERYAIAHJLEHO-MGPQQGTHSA-N	311.426	1.960	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CNc2ccccc2)c(F)c1	120929249	VFQQYENJFPPVRB-UHFFFAOYSA-N	317.320	1.707	50	20	DDGD	
Cc1nn(C(C)(C)C)cc1C(=O)NNC(=O)Cc1ccncc1	184387593	DUOMLVPHLZXHOC-UHFFFAOYSA-N	315.377	1.345	50	20	DDGD	
CC1(CNC(=O)NNC(=O)C(=O)N2CCCC2)CCCCCC1	181721086	RPRXNZPMOCWGIL-UHFFFAOYSA-N	324.425	1.300	50	20	DDGD	
COc1ccc(CCC(=O)NNc2nccnc2OC)cc1	132067367	ZBIDSGIXDMJBNI-UHFFFAOYSA-N	302.334	1.570	50	20	DDGD	
CC(C)C[C@@H]1COCCN1C(=O)NNC(=O)c1ccccc1	73035774	NHLFQHSHTROLMX-CQSZACIVSA-N	305.378	1.788	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)CNc1ccc(C)cc1C	76960393	SYCZRIQMEIBNNB-AWEZNQCLSA-N	319.405	1.844	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCC[C@@H]2CCCCO2)cc1	181134217	OTGJGIRHMRHMHE-AWEZNQCLSA-N	316.361	1.461	50	20	DDGD	
O=C(COc1ccccc1Br)NNc1ncccn1	135010261	XNMJKNOIGXWGRX-UHFFFAOYSA-N	323.150	1.761	50	20	DDGD	
O=C(NNC(=O)C1CCC(O)CC1)c1cccc2ncccc12	194274581	MKAVTYZQXNHUED-UHFFFAOYSA-N	313.357	1.547	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCCc1cnn(C)c1	46993326	NSLUCIMIOVDHNA-UHFFFAOYSA-N	316.365	1.307	50	20	DDGD	
NC(=O)c1cccc(OCCC(=O)NNc2ccc(F)cc2)c1	81603388	MQGBFTLQIDPPCD-UHFFFAOYSA-N	317.320	1.837	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)c1cc([N+](=O)[O-])cnc1O	192642858	WKVMRZBPNNMYMC-UHFFFAOYSA-N	310.216	1.731	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)CC(=O)N2C	194108919	TYZYQRHFLKWBDJ-VIFPVBQESA-N	304.350	1.404	50	20	DDGD	
C/C=C(\CC)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1	190265594	BJONIYRWLSSWTK-QDEBKDIKSA-N	323.418	1.927	50	20	DDGD	
CCOc1ccccc1C(F)(F)C(=O)NNC(=O)C(C)(C)O	190059412	HZNKASMFAWUHGX-UHFFFAOYSA-N	316.304	1.095	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)/C=C\c2ccccc2C#N)cc1	255458447	APEWUNBSRVSCBS-KTKRTIGZSA-N	316.320	1.904	50	20	DDGD	
CC1(C)CC(=O)c2cc(C(=O)NNC(=O)C3CC3)c(O)nc2C1	264359760	RXBNWLCDQUPVFW-UHFFFAOYSA-N	317.345	1.113	50	20	DDGD	
CC[C@@H](C)[C@H](C)NC(=O)NNc1nc(O)c2cnn(C)c2n1	269414814	OACNYVSHNOBQSM-SFYZADRCSA-N	307.358	1.130	50	20	DDGD	
COCCOCCC(=O)NNC(=O)C(C)(C)c1ccccc1	264641303	OKAYKLFBHKINOK-UHFFFAOYSA-N	308.378	1.165	50	20	DDGD	
CC(=O)NNC(=O)[C@H](C)Cc1ccc(F)c(Br)c1	268793103	CMSDMFZXAOFIBK-SSDOTTSWSA-N	317.158	1.934	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNc2nc(O)c3ccccc3n2)O1	268185059	MDTVLRBVPZMGQR-BXKDBHETSA-N	302.334	1.736	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=S)Nc1cc(C)ccc1C	263651023	KKQFBQFAMUKHSD-WDEREUQCSA-N	321.402	1.430	50	20	DDGD	
C[C@](O)(CC(=O)NNC(=O)c1ccc(Cl)cc1F)C1CC1	270176036	MBSDZMCMTKMFPN-AWEZNQCLSA-N	314.744	1.791	50	20	DDGD	
CCNC(=O)C1(CNC(=O)NNc2ccc(OC)cn2)CCC1	277258491	QMNZDIZYQNSBSO-UHFFFAOYSA-N	321.381	1.023	50	20	DDGD	
CCCCOc1ccc(/C=C/C(=O)NN(C)C(N)=O)cc1OC	272167056	ISLQATDBZZNUFX-VQHVLOKHSA-N	321.377	1.929	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H]2CCO[C@H](C)C2)c1	272647591	JLPOIVPTNKTRNO-NEPJUHHUSA-N	321.377	1.914	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NNC(=O)c2cccc(Cl)c2)C1	278135042	ZSLGAPJSGNWFLR-SNVBAGLBSA-N	323.780	1.360	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)[C@@H]1CCCO1	270558547	JLTPNTOTVUWRRB-NSHDSACASA-N	310.375	1.114	50	20	DDGD	
CC[C@@]1(C(=O)NN(C)C(N)=O)CCCN1C(=O)OC(C)(C)C	368402020	IKFVWYPVDBCZNG-AWEZNQCLSA-N	314.386	1.208	50	20	DDGD	
CCSCc1ccccc1C(=O)NNC(=O)C(=O)NC(C)C	278984556	PGTFGIAEOXPEIU-UHFFFAOYSA-N	323.418	1.225	50	20	DDGD	
CCN1CCOC[C@@H]1C(=O)NNc1cccc2c1CCCC2	367661748	MPZBSSZPKWRJPJ-MRXNPFEDSA-N	303.406	1.729	50	20	DDGD	
C[C@H]1Oc2ccc(NC(=O)NNC(=O)CC3CC3)cc2NC1=O	273315816	JFDDOYNXZIUCFD-MRVPVSSYSA-N	318.333	1.359	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@]1(C)CCCOC1	272623383	KHACLLUIIRAPIV-INIZCTEOSA-N	306.362	1.202	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2ccc(OC)cn2)C1	275697917	YKTXLAXSBMBFIF-GHMZBOCLSA-N	307.350	1.513	50	20	DDGD	
COCCCC(=O)NNC(=O)CSc1ccccc1OC	270566707	MDAWHHKCGGONGM-UHFFFAOYSA-N	312.391	1.361	50	20	DDGD	
CC(C)(C)NC(=O)c1ccccc1NC(=O)NNC(=O)C1CC1	273266000	YQXFFHWWKVZROB-UHFFFAOYSA-N	318.377	1.778	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CSc1ccc([N+](=O)[O-])cc1	272687646	PQJDUGPPYIJLMS-UHFFFAOYSA-N	312.351	1.379	50	20	DDGD	
CC(C)CCNC(=O)NNC(=O)CSc1ccccc1O	270802818	MGKJENYYGRAYNG-UHFFFAOYSA-N	311.407	1.861	50	20	DDGD	
C[C@H](CNC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccccc1	285078832	LBDHLEXDQSRRSO-LLVKDONJSA-N	321.377	1.608	50	20	DDGD	
COCCN(C)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1	288491694	SUIOBNQXJPPDEF-SNVBAGLBSA-N	313.379	1.685	50	20	DDGD	
CC(C)(C)c1nnc(C(=O)NNC(=O)c2ccccn2)s1	281093512	FDZRYRJFPWZWNN-UHFFFAOYSA-N	305.363	1.305	50	20	DDGD	
CCOc1cccc(S(=O)(=O)NNC(=O)CC(C)C)c1	282114198	KCAYOOQBIFEPCI-UHFFFAOYSA-N	300.380	1.441	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)n1	280816915	INYWMRBLBVZUMH-BZPMIXESSA-N	318.377	1.292	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)CSc1ccccc1O)C(C)C	281036554	IOPDCVWXBRDQEY-NSHDSACASA-N	321.402	1.473	50	20	DDGD	
CCn1cc(CNC(=O)NNC(=O)Nc2ccccc2C)cn1	286939952	LVAPHPGSCNVZIP-UHFFFAOYSA-N	316.365	1.747	50	20	DDGD	
COC(=O)[C@H]1CC[C@H](C(=O)NNc2nnc(C3CC3)s2)CC1	280982989	DEJWLIGVSVOMJL-CZMCAQCFSA-N	324.406	1.838	50	20	DDGD	
Cc1noc(Cl)c1CCC(=O)NNC(=O)[C@H]1CCCCO1	295394886	LUGBFPYMHQDHJR-SNVBAGLBSA-N	315.757	1.286	50	20	DDGD	
CN(C)c1nc2sc(C(=O)NNC(=O)CC3CC3)cc2s1	294097014	IXBXAPGICYHSJQ-UHFFFAOYSA-N	324.431	1.985	50	20	DDGD	
COCCN(C)NC(=O)c1cc(N(C)C)nc2ccccc12	293688074	RZZJOLYWCNCCCU-UHFFFAOYSA-N	302.378	1.524	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc2c(c1)OCCCO2	295259786	AZSOAUJVQULPSD-CYBMUJFWSA-N	320.345	1.178	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCC(=O)NC(C)C)cc1	297380973	JRCYYHADKWOFKW-UHFFFAOYSA-N	308.382	1.626	50	20	DDGD	
O=C(NNS(=O)(=O)CCCCF)c1cc2ccccc2o1	295721434	GZLHVHYDFVTZML-UHFFFAOYSA-N	314.338	1.747	50	20	DDGD	
Cc1ncc2n1CC[C@@H](C(=O)NNC(=O)c1ccccc1F)C2	290052107	RWIURYOJADPGBK-LLVKDONJSA-N	316.336	1.354	50	20	DDGD	
CN(CCC(=O)NNc1ncncc1F)C(=O)OC(C)(C)C	294380587	CTOLYDFODFJHEV-UHFFFAOYSA-N	313.333	1.316	50	20	DDGD	
CN(C)CCc1ccccc1NC(=O)NNc1ccncn1	297759531	KWZAMENSRDFQBQ-UHFFFAOYSA-N	300.366	1.729	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2cc(F)ncc2F)ccn1	807973364	ZBRXHAUAEARTGL-UHFFFAOYSA-N	305.288	1.585	50	20	DDGD	
Cc1ccoc1CNC(=O)NNC(=O)COCc1ccccc1	292206853	YPCFXHXQNJMDDK-UHFFFAOYSA-N	317.345	1.635	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(OC(C)(C)C)cn1	292297352	JZUZUJSNRCCBOH-UHFFFAOYSA-N	308.407	1.554	50	20	DDGD	
CC1(OCC(=O)NNC(=O)Nc2ccc3c(c2)OCO3)CCC1	802100525	RWRAMCGBWGNZHO-UHFFFAOYSA-N	321.333	1.527	50	20	DDGD	
Cc1ccc([C@H](CNC(=O)NNC(=O)CC(C)C)N(C)C)cc1	299352164	QVUYZUCWHIQJJG-HNNXBMFYSA-N	320.437	1.974	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1cccc(N2CCOCC2)c1	293870922	WRXVZELNDRTXKP-FYWRMAATSA-N	315.373	1.583	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc3c(n2)CCC3)n1	296863310	YNICZSUCKQTCSY-UHFFFAOYSA-N	300.322	1.518	50	20	DDGD	
CCc1nc(C(C)C)ccc1C(=O)NNC(=O)Cc1cc[nH]n1	815475774	YCKQOJOSBNVKDO-UHFFFAOYSA-N	315.377	1.494	50	20	DDGD	
CC(=NNC(=O)Cn1cnc2ccccc21)c1csc(N)n1	812393578	FLOBUQQXVFPCGB-UHFFFAOYSA-N	314.374	1.615	50	20	DDGD	
C[C@@H]1C(=NNC(=O)C[N+](C)(C)C)CCCN1Cc1ccccc1	814694725	WLIRKPOXINARBV-OAHLLOKOSA-O	317.457	1.849	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)Nc1ccc2c(c1)OCO2	814993269	ZFAQCJHBELDEPE-JTQLQIEISA-N	318.333	1.581	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=C(CO)c1ccc(F)cc1F	815000329	JQOFGCBKHQMRRE-UHFFFAOYSA-N	306.272	1.300	50	20	DDGD	
CCn1nccc1C=NNC(=O)CSc1ccccc1O	814969014	HGZATAWECAOXET-UHFFFAOYSA-N	304.375	1.851	50	20	DDGD	
COc1ccncc1CNC(=O)NNc1cccc(Cl)n1	814418807	RDJXBOMUVDBOIC-UHFFFAOYSA-N	307.741	1.965	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2ccnc(C)n2)ccc1C	816688674	BFGTWHSFMLDUJJ-UHFFFAOYSA-N	300.318	1.637	50	20	DDGD	
CN(NC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1)C1CC1	819646379	VOOOWMRYHUWOLF-OAHLLOKOSA-N	301.390	1.346	50	20	DDGD	
C[C@H](CC(=O)NNc1ncncc1F)NC(=O)C1CCCC1	817081470	CTMMIVFXALOMPR-SECBINFHSA-N	309.345	1.144	50	20	DDGD	
Cn1c(NNC(=O)c2cc(N)nc(Cl)c2)nc2ccccc21	816577139	YKINWUVFQCRFQY-UHFFFAOYSA-N	316.752	1.961	50	20	DDGD	
COc1ccc(C(=O)NNc2nc[nH]n2)c(OCC(C)C)c1	816633559	GKBXSNHWRDHAMZ-UHFFFAOYSA-N	305.338	1.605	50	20	DDGD	
O=C(NN=C1CC[C@@H]2CNc3cccc1c32)N1CCOCC1	814821433	WAGZZHOXFYINOK-LLVKDONJSA-N	300.362	1.735	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(Cl)cc1F	826615252	GIAHMLXZNKMGLD-PWSUYJOCSA-N	312.728	1.831	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc2c(NC)ncnc2c1	823762575	GZEPRNMZIHGJLY-UHFFFAOYSA-N	316.365	1.416	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(Cl)c2c(c1)OCCO2	823989008	ZEFLTZPCZJMTMW-QMMMGPOBSA-N	300.742	1.069	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(C(F)(F)F)[nH]1	822786863	YPEGERSPBZPGOP-UHFFFAOYSA-N	308.260	1.014	50	20	DDGD	
O=C(NNC(=O)c1cc2n(n1)CCCC2)c1ccc(Cl)nc1	825241082	WTIKRDIBQFTTJB-UHFFFAOYSA-N	319.752	1.343	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)/C=C\[C@@H]2CCOC2)c1	493730901	XCXUNAYUJQNLIC-VQTKUKTRSA-N	318.373	1.422	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1cccc(C#N)c1	494724082	ARRPNUGZFZEQDR-UHFFFAOYSA-N	316.361	1.923	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3ccn(C)n3)n[nH]2)cc1	727483851	RAIQFNJDXWSQFR-UHFFFAOYSA-N	324.344	1.193	50	20	DDGD	
CC(=NNC(=O)Cc1cccnc1)c1ccc(CC(=O)O)cc1	728786175	FFEPSOSYRRGXNM-UHFFFAOYSA-N	311.341	1.792	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C	496876581	QZCCUNKJIITTMH-ZJUUUORDSA-N	314.386	1.030	50	20	DDGD	
COc1ccc(S(=O)(=O)NN(C)C(=O)OC(C)(C)C)cc1	496365235	RSNWQEVYUYRVBK-UHFFFAOYSA-N	316.379	1.755	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1cncs1	825649237	JWRUYZBJHPSNDF-UHFFFAOYSA-N	306.347	1.025	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](CCC(C)C)NC(C)=O)n1	829482838	TWIHDBCCWGKHPM-LBPRGKRZSA-N	323.397	1.178	50	20	DDGD	
CCC(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1	820838673	ZMDZZHRHNOLXPP-UHFFFAOYSA-N	300.244	1.739	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)COC(F)(F)F)cc1	823891935	IOLBYROVKGGDCM-UHFFFAOYSA-N	306.240	1.382	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)NC2CCCC2)cn1	726906258	TVWLJTKXVGVZSX-UHFFFAOYSA-N	309.395	1.533	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCC2CC2)c(C2CCCCC2)n1	726770588	YPOWZDBPXOUNJK-UHFFFAOYSA-N	319.409	1.822	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1	823950845	FSFIONRGYJGOGU-SUMWQHHRSA-N	319.405	1.025	50	20	DDGD	
CN(C)CC1(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)CC1	822783574	KZHZAFCVLRHFGX-UHFFFAOYSA-N	300.362	1.313	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc([S@@](C)=O)c(F)c1	494364686	OHRYRDJZPWINPX-HXUWFJFHSA-N	303.315	1.346	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCCC(=O)C2CC2)nc1	827420530	RVDVZAIPWJYJRF-UHFFFAOYSA-N	305.334	1.461	50	20	DDGD	
COC(=O)c1cnc([C@H](C)NC(=O)NNc2cccnn2)s1	823898709	MLLHRCVREBTBCV-ZETCQYMHSA-N	322.350	1.107	50	20	DDGD	
CC1(C)CC[C@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1	495107277	VYFQLUJMBBNNHF-JTQLQIEISA-N	313.398	1.485	50	20	DDGD	
CCN1CCOC[C@@H]1C(=O)NNc1nc2c(C)cccc2s1	828362794	QWGIGROQUIINCV-LLVKDONJSA-N	320.418	1.769	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2C[C@H](c3ccccc3Cl)C2)o1	585044038	YQCMTFPILAWCKU-XYPYZODXSA-N	305.570	1.649	50	20	DDGD	
Cc1nc2n(n1)C[C@H](NC(=O)[C@]1(C)C[C@H]1Br)CC2	906522656	KHIBKBJHYWKVEC-KBVBSXBZSA-N	313.199	1.191	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)COc1ccc(C)c(C)c1	732528121	SFCNRWVMBCHAQB-UHFFFAOYSA-N	312.391	1.219	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NNC(=O)c1ccccn1	491053360	YDMGPFALUGJETE-FMIVXFBMSA-N	310.288	1.589	50	20	DDGD	
CC(=NNC(=O)COc1cc(C)cc(C)c1)c1cnn(C)n1	834922636	KFXVXOCVUAJOQK-UHFFFAOYSA-N	301.350	1.351	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)NC[C@H]1CCCNC1=O	838779242	NDIBQPPKSGDDRI-SNVBAGLBSA-N	310.785	1.801	50	20	DDGD	
COc1ncccc1C(=O)NNC(=O)CCc1ccccc1O	730033546	DFTNFXWGZGSNPR-UHFFFAOYSA-N	315.329	1.190	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)COCC1CCCC1	839662686	JPCDKRBULPIKIV-UHFFFAOYSA-N	320.389	1.679	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)COc1cccc(C)c1	834922959	RLGOGVIKURTENT-UHFFFAOYSA-N	301.350	1.444	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCl)c1ccc(N2CCOC2=O)cc1	830206250	IWVIQZSAXJOYHH-SECBINFHSA-N	318.782	1.820	50	20	DDGD	
O=C(N1CC[C@@H](B(O)O)C1)C1(c2ccc(F)cc2F)CCC1	585066536	PQOHQDUJTCDSFC-SNVBAGLBSA-N	309.121	1.462	50	20	DDGD	
C[C@@H](NCc1ccc(B(O)O)o1)c1nc(C(C)(C)C)cs1	585022155	KAVZUGIRUHEXBM-SECBINFHSA-N	308.212	1.564	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)[C@H](C)Oc1ccc(F)cc1	834928355	MJZPAZNUSHGYDS-NSHDSACASA-N	319.340	1.663	50	20	DDGD	
COc1cccc(CCNC(=O)NNc2ccncn2)c1OC	836225652	UXIGIKJRVRSZFO-UHFFFAOYSA-N	317.349	1.363	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc2c(c1)CCCO2	831406241	NACIBGAMFYSRFT-GWCFXTLKSA-N	319.361	1.589	50	20	DDGD	
O=C(NN=Cc1ccc(Br)nc1)[C@@H]1CCCCO1	834985379	HWIMERDTKORLLC-JTQLQIEISA-N	312.167	1.863	50	20	DDGD	
CC[C@@H](Nc1ccccc1)C(=O)NNC(=O)[C@H]1CCCCO1	833250701	KELTXJPZRJMBQH-ZIAGYGMSSA-N	305.378	1.594	50	20	DDGD	
CCOC1(C(=O)NNc2ccccc2C(=O)OC)CCOCC1	831711673	KGRFMKVGTBJDKD-UHFFFAOYSA-N	322.361	1.502	50	20	DDGD	
Cc1cc(C=NNC(=O)C(N)=O)c(C)n1-c1ccc(Cl)cc1	916272477	XIRLXZDFLZENGN-UHFFFAOYSA-N	318.764	1.683	50	20	DDGD	
O=C(NNc1cccc(F)n1)C1(n2cnnn2)CCCCC1	846140665	XSSNFEGVOLPHJW-UHFFFAOYSA-N	305.317	1.010	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1cn(C)nc1-c1cnn(C)c1	848084824	XFGSDVBWIHANPI-UHFFFAOYSA-N	316.192	1.696	50	20	DDGD	
C[C@]1(CNc2nccc(S(C)(=O)=O)n2)C[C@@H]1Br	912288772	HBLSARQWLSQFHA-OIBJUYFYSA-N	320.212	1.466	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](C[C@@H]1CCCO1)C(F)(F)F	845925029	CSKFAADBKPVJKW-DTWKUNHWSA-N	311.304	1.427	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2CCCC(F)(F)[C@H]2O)C[C@H]1Br	910472962	YYHXAGBTLNHCAA-ODXREFDESA-N	312.154	1.825	50	20	DDGD	
CCO[C@H](CCNC(=O)NNC(=O)CC(F)(F)F)C(C)C	746420724	LIFYTWOIOCMONM-SECBINFHSA-N	313.320	1.720	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1c(C)nn(CC)c1Cl	742053085	BKBXGPKZXOGZKE-UHFFFAOYSA-N	301.778	1.609	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H](C)Oc1ccc(SC)cc1	740819979	MCPYNSCFALLGCM-SNVBAGLBSA-N	311.407	1.916	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@@H]2CCO[C@@H](C)C2)cc1	845086913	QDKGQUVXKUWRLQ-SMDDNHRTSA-N	321.377	1.596	50	20	DDGD	
Cc1[nH]c2ccccc2c1CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843640260	BELPVJWQRSBTLO-VXGBXAGGSA-N	315.373	1.591	50	20	DDGD	
CCCC[C@@H]1CCCC1=NNC(=O)Cc1cc(O)nc(O)n1	743447531	JQFFMXRRIFFZKY-SNVBAGLBSA-N	306.366	1.893	50	20	DDGD	
CO[C@@H]1CCCCC1=NNC(=O)C(=O)Nc1ccc(C)cc1	915953998	IHOMOVAKQHLIBD-CQSZACIVSA-N	303.362	1.995	50	20	DDGD	
COc1ccccc1-c1ccc(C(C)=NNC(=O)C(N)=O)cc1	741451704	MXMXIYIARGNNSF-UHFFFAOYSA-N	311.341	1.688	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1c[nH]nc1-c1ccncc1	918367055	KQTFGYDTEPFWED-UHFFFAOYSA-N	313.239	1.185	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1cccc2ccoc12	842590780	SIZWIEWWKKUPDB-GXSJLCMTSA-N	324.358	1.167	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=S)NCC2CC2)c1C	849252795	IXISPPPJLZLFCT-LBPRGKRZSA-N	321.446	1.976	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cccc(Cl)c1)c1cnn(C)c1	743634586	ZLIKDZYHNOPEPY-VIFPVBQESA-N	321.768	1.779	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cnn(Cc2ccccc2Cl)c1	910180131	RUQMSNDMEMULAT-NSHDSACASA-N	322.796	1.542	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1(c2ccccc2)CCC1	843641722	HLQFDHSSSJUFHS-OCCSQVGLSA-N	302.374	1.681	50	20	DDGD	
N#Cc1ccc(NNC(=O)N[C@H]2CCNC2)c(C(F)(F)F)c1	841940796	IITMKDSTIOJUMF-VIFPVBQESA-N	313.283	1.565	50	20	DDGD	
CC(C)Cn1nccc1C(=O)NNC(=O)c1ccc(Cl)nc1	843767842	OEGYLUFVGCDXRQ-UHFFFAOYSA-N	321.768	1.662	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)CSc2ccccc2O)c2ncnn21	841639588	BBNAITOIRSYROH-SECBINFHSA-N	317.374	1.561	50	20	DDGD	
CSc1ccc2c(c1)C(=NNC(=O)C(=O)NC1CC1)CCC2	842521131	CSERRPVSXJGEQK-UHFFFAOYSA-N	317.414	1.844	50	20	DDGD	
Cc1[nH]nc(C(F)(F)F)c1C(=O)NNC(=O)c1cccn1C	746582259	SDHAOECHWFWEQI-UHFFFAOYSA-N	315.255	1.150	50	20	DDGD	
C[C@@H](CSc1ccccc1)N(C)CC(=O)NNC(=O)C1CC1	844362138	ZFZRFTCNBNSMEQ-LBPRGKRZSA-N	321.446	1.656	50	20	DDGD	
COCC(C)=NNC(=O)c1cc(Br)ccc1O	741768912	CIHPUUQXIOSRFA-UHFFFAOYSA-N	301.140	1.907	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CC[C@@H](CN)C2)c1	842010338	KJHREBCTHPYZEO-ZYHUDNBSSA-N	306.366	1.227	50	20	DDGD	
COCC1(CC(=O)NNC(=O)CNc2ccc(C)cc2)CC1	844129272	WQKQXJMMJWCESO-UHFFFAOYSA-N	305.378	1.371	50	20	DDGD	
CCc1nc(C)c(C(C)=NNC(=O)[C@@H](C)OCCOC)s1	748258468	PCAFEOVLZYDDJQ-LLVKDONJSA-N	313.423	1.906	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@@H]1CCn2cncc2C1	846641868	SKPITAFPJNMTCK-SNVBAGLBSA-N	304.325	1.737	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1CCC2(CC1)CC2(F)F	846710836	GIXQWLBIQNDTGT-UHFFFAOYSA-N	324.331	1.486	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1cnc2c(c1)CNCC2	841322246	RTNIMOBYYWZXKZ-UHFFFAOYSA-N	303.366	1.070	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1coc2c1C(=O)CCC2)C1CC1	855094547	CYZXPVMMLQZADT-QMMMGPOBSA-N	321.402	1.706	50	20	DDGD	
Cn1cc([C@@H]2C[C@H]2C(=O)NC[C@@]2(C)C[C@H]2Br)cn1	857385922	NUKWIKFZHZSQER-SBFPOUOMSA-N	312.211	1.813	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CN2CCC3(CCC3)C2)cc1	758737429	FAFNFFBZINBUAU-UHFFFAOYSA-N	312.373	1.195	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNC(=O)C(C)(C)C)[C@@]12CCCO2	759264479	GQHXNQFNQLOKOS-RWSFTLGLSA-N	313.398	1.090	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1ccn(CC(F)F)n1	756868848	XNLBWOJLPNXPRX-UHFFFAOYSA-N	301.297	1.491	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NOC[C@@H]2CCOC2)c1C	854016854	ULMWTNOMNYKXDP-LLVKDONJSA-N	323.349	1.376	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccn1Cc1ccncc1	751368110	HESVPEPNDUMODD-UHFFFAOYSA-N	315.377	1.676	50	20	DDGD	
O=C(NNc1cc(F)cc(Cl)c1)N[C@@H]1CCS(=O)(=O)C1	853202493	GCBYLSHKIAOPBN-SECBINFHSA-N	321.761	1.292	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C(F)(F)c2nccs2)n1	756835335	BEGWYASLVHAIJE-UHFFFAOYSA-N	315.305	1.485	50	20	DDGD	
O=C(CSC(F)F)NNC(=O)c1ccc2c(c1)OCO2	920820697	GQJYXGNESJKJIQ-UHFFFAOYSA-N	304.274	1.132	50	20	DDGD	
CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)NNc1ccc(C)nn1	852691399	GYVTUODVFDUHMY-NHYWBVRUSA-N	321.381	1.533	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)CNC(=O)OCC(F)(F)F	855367334	PTCPZDSFAXVQOQ-UHFFFAOYSA-N	323.246	1.866	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC(F)(F)C[C@H]1C	858573146	ZOBANCQOQWMRAW-KXUCPTDWSA-N	305.325	1.272	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)CC[C@H]1C	758724160	JHRDWQPCVKHBGA-OWTLIXCDSA-N	317.455	1.192	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=CCCc1ccccc1	755751497	YLSXNMIPTHJWAS-UHFFFAOYSA-N	300.318	1.165	50	20	DDGD	
Cc1nc(C(=O)NNc2ccncn2)nn1-c1ccc(F)cc1	857520405	WJZPVBBIQSCMMH-UHFFFAOYSA-N	313.296	1.262	50	20	DDGD	
CCCCNC(=O)NNC(=S)Nc1cccc(NC(C)=O)c1	920759628	VLUSJOGZXLJKRL-UHFFFAOYSA-N	323.422	1.946	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NC[C@@H]1CCCS1(=O)=O	853869347	QXUSPZLPPBWXCV-NSHDSACASA-N	315.370	1.337	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc2cc[nH]c2n1)C1CC1	855099645	KQLIURAVQZWXOE-MRVPVSSYSA-N	303.391	1.470	50	20	DDGD	
Cc1nnc([C@@H](C)NC(=O)NNc2ncc(Cl)cn2)s1	856884481	BSHCWANVFRVKLG-RXMQYKEDSA-N	313.774	1.677	50	20	DDGD	
O=C(NNc1ccccn1)c1c[nH]nc1-c1ccc2c(c1)OCO2	752756953	ZDIKTAIOZLHMEV-UHFFFAOYSA-N	323.312	1.957	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)Nc1ccn(CC(=O)O)n1	852960630	LAPRXJGHYGSPNQ-SECBINFHSA-N	318.171	1.716	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)Cc2ccc3ccccc3c2)CCOC1	757848781	QTORZHRPADGVEL-GOSISDBHSA-N	312.369	1.956	50	20	DDGD	
Cn1ncc(C2CC2)c1CNC(=O)NNc1ncncc1F	852579192	YUJOVABEJSBSPD-UHFFFAOYSA-N	305.317	1.053	50	20	DDGD	
CCC(=O)c1cccc(NC(=O)NNC(=O)c2cnccn2)c1	757736113	AQJRJJFPQCMHIN-UHFFFAOYSA-N	313.317	1.536	50	20	DDGD	
Cc1cc(O)c(C=NNC(=O)C(=O)Nc2ccccn2)cc1C	758380694	NGBIAICHBREQSA-UHFFFAOYSA-N	312.329	1.493	50	20	DDGD	
CN(C)CCCN(C)C(=O)NC[C@@]1(C)C[C@H]1Br	856953388	RMLYPMYXZVAGIF-ZYHUDNBSSA-N	306.248	1.753	50	20	DDGD	
Cc1nn(C)cc1S(=O)(=O)NC[C@@]1(C)C[C@H]1Br	856751895	DUAGZVQXRSUOPN-NXEZZACHSA-N	322.228	1.180	50	20	DDGD	
CCC(=NNC(=O)CCCNC(=O)C(C)(C)C)c1cnn(C)c1	853409318	UMMNZQAPEPYRJE-UHFFFAOYSA-N	321.425	1.593	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccc3nncn3c2)C[C@@H]1Br	857399930	GWMUBVULULIZSL-CABZTGNLSA-N	309.167	1.633	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21	856878677	YHMOBVHHYDLTFV-MXWKQRLJSA-N	311.773	1.714	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)[C@H]1CCCS(=O)(=O)C1	856091988	LRLUKPIUHCYOKN-QMMMGPOBSA-N	303.771	1.003	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2cscc2Br)N1	863149823	GLWQCEXBVMRXRW-MRVPVSSYSA-N	316.180	1.239	50	20	DDGD	
C[C@@H](NNC(=O)c1cnn(-c2ccccn2)c1N)C(F)(F)F	862319883	BVKQHQQNPVWPLH-SSDOTTSWSA-N	314.271	1.035	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ncc3n2CCCC3)c1	865164762	OPCFPUXHPWWLGC-UHFFFAOYSA-N	309.329	1.166	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCC(=O)N1)c1cccc(OC(F)F)c1	863145564	LCPDFLRZKLSVMJ-LLVKDONJSA-N	311.288	1.407	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)c2cccc(Cl)n2)[C@@H]1C	863931807	WBXKPRVCHNIKAQ-JXVAYASWSA-N	311.769	1.556	50	20	DDGD	
Cn1c(=NNC(=O)c2csc(O)n2)sc2ccccc21	769678676	CVEIIHHASWDRQN-UHFFFAOYSA-N	306.372	1.648	50	20	DDGD	
C[C@@H]1CN(CCCNC(=O)NNc2ccccc2)CCCO1	764573541	MFXISPWZJCAFAB-CQSZACIVSA-N	306.410	1.814	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)N[C@@H]1CC=CCC1	767024324	CGJRFOWERBKHAA-LLVKDONJSA-N	309.391	1.825	50	20	DDGD	
CC(C)OCc1cccc(NC(=O)C(=O)NNC(=O)C(C)C)c1	763820216	JIESSPBSHGEEIG-UHFFFAOYSA-N	321.377	1.354	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)C1=COCC1	763173680	QGPFAPPLUHHDMO-UHFFFAOYSA-N	316.292	1.281	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)COc2ccccc2F)CCC1=O	763282155	HWOYLIRFUQHJKT-QWRGUYRKSA-N	322.336	1.357	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC[C@@](O)(c2ccccc2)C1	862804940	XEJWJCMDSYOFFO-VSOYFRJCSA-N	300.358	1.941	50	20	DDGD	
COC(=O)Cc1cccc(C(=O)NN[C@@H](C)C(F)(F)F)c1	862318473	PVBWERNGYPTBSP-QMMMGPOBSA-N	304.268	1.587	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)CN2CCCC2=O)[C@@H](C)C1	761254226	NKOQSPUVIBKYTB-RYUDHWBXSA-N	323.393	1.080	50	20	DDGD	
CCNC(=O)NN=C(C)c1ccc(Cl)c(S(N)(=O)=O)c1	764679317	SLRUSHLLWOSFNT-UHFFFAOYSA-N	318.786	1.031	50	20	DDGD	
Cn1ccc(C(=O)NNC(=O)CSc2ccccc2O)c1	764037191	ARSWQVKNBKWVHN-UHFFFAOYSA-N	305.359	1.284	50	20	DDGD	
Cc1ccc(CO[C@@H](C)C(=O)NNc2ncc(F)cn2)cc1	860463010	JZZLLOWAKMTMTQ-NSHDSACASA-N	304.325	1.973	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cn2ccccc2n1	863091222	PIJPYBJDFOHRCH-UHFFFAOYSA-N	308.210	1.766	50	20	DDGD	
CCCCNC(=O)NNC(=O)C12CCC(C(=O)OC)(CC1)C2	760169039	WKIWDTXCDZNTKM-UHFFFAOYSA-N	311.382	1.240	50	20	DDGD	
CC(=O)N[C@H](CC(C)C)C(=O)NNc1ncnc2ccsc12	860198420	ZEKLYUCSWMFGCQ-LLVKDONJSA-N	321.406	1.685	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1cc(Cl)cc(Cl)c1	869913178	BNBUKNZBDOAALW-UHFFFAOYSA-N	321.160	1.417	50	20	DDGD	
CNC(=O)C1CCN(S(=O)(=O)CC(C)(C)CCl)CC1	866439487	WDYLBNYVURXJPE-UHFFFAOYSA-N	310.847	1.039	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1C1CCCC1)c1ccncc1	769532040	MMPNBLWHKHWWJS-AWEZNQCLSA-N	302.378	1.250	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)c2ccc(C)o2)c1C1CC1	879112349	JWTNOSSZJQTFCZ-UHFFFAOYSA-N	302.334	1.757	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1c(Br)c(C)nn1C	879700085	DEUYLLSLEDXBEJ-UHFFFAOYSA-N	320.147	1.274	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2CC[C@@H](SC)C2)cc1	1116172833	MWKAZJPWDSGCMP-WCQYABFASA-N	323.418	1.923	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H]1CCO[C@@H](c2cnn(C)c2)C1	1117775408	PSQKVEYKRXLFAI-MCZKDORBSA-N	304.350	1.200	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cc(CC)nn2C)cc1	873798631	LPVXVATZXUHIKB-UHFFFAOYSA-N	300.362	1.620	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cc(C)nc(O)c1	777522221	MDNWNKXAGUYZAB-UHFFFAOYSA-N	315.329	1.108	50	20	DDGD	
CC[S@@](=O)c1ccccc1C(=O)NNC(=S)NC(C)C	1115818032	WSVUOPHEVFQILF-HXUWFJFHSA-N	313.448	1.331	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCCN(C)C1CCCCC1	875073322	JPXNNIULFQXRJB-UHFFFAOYSA-N	300.403	1.553	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)c2ccncc2)cc1O	771837541	DTXZJZVZGJIYOQ-HWKANZROSA-N	313.313	1.270	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H](OC)c1ccccc1Cl	875386476	SPASGSOKWOCAGS-LLVKDONJSA-N	315.757	1.940	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CCCC(=O)N(C)C)c1	873774435	MAWGWAFACBFGKM-UHFFFAOYSA-N	322.434	1.571	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2c3c[nH]nc3CC[C@H]2C)n1	879829494	RKSOWIOZTIFBLJ-YMTOWFKASA-N	313.361	1.240	50	20	DDGD	
CO[C@](C)(C(=O)NNc1cc(Cl)nc(N)n1)c1ccccc1	773867826	WSGUKRUVXSGLHF-AWEZNQCLSA-N	321.768	1.717	50	20	DDGD	
O=S(=O)(CCCCl)N1CCC([C@@H](O)C(F)(F)F)CC1	881995480	WHEKJKDYTBXJFX-SECBINFHSA-N	323.764	1.580	50	20	DDGD	
CC(=NNC(=O)COc1ccc(F)cc1)c1cnn(C)c1C	778540300	PYFNNWPJWBCWJF-UHFFFAOYSA-N	304.325	1.787	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(F)c(NC(C)=O)c1	887141819	KDRGMZZWJHCRIC-UHFFFAOYSA-N	305.309	1.349	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1ccc(NC(=O)NC2CC2)cc1	785460174	IBOGEDKSWLFGNW-UHFFFAOYSA-N	318.377	1.582	50	20	DDGD	
Cc1cccnc1C=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1	781584914	CHOIEEGVFPWWEY-RBSFLKMASA-N	318.421	1.585	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)c2cccnn2)s1	882060562	RAYLDVXWNBUHJF-UHFFFAOYSA-N	305.363	1.269	50	20	DDGD	
Cn1ccnc1CCC(=O)NNC(=O)CCCc1ccccc1	1123551302	BCVIDANVFLBAGP-UHFFFAOYSA-N	314.389	1.523	50	20	DDGD	
C#CCN1CCN(C(=O)[C@@H](Br)C(C)(C)C)CC1	781086117	BAUKCFMZDBSBTK-LLVKDONJSA-N	301.228	1.573	50	20	DDGD	
CN(C)S(=O)(=O)c1cccc(C(=O)N2CC=C(C#N)CC2)c1	780687530	CHZQTENUNCTFAF-UHFFFAOYSA-N	319.386	1.233	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc(C(=O)NC)c1C	785836560	XFKLETIJUFPPNF-UHFFFAOYSA-N	307.354	1.052	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCCCc1ccccc1	892229688	VSKIZZBWPULOOW-UKRRQHHQSA-N	304.390	1.972	50	20	DDGD	
CC(C)[C@@H](F)C(=O)NNC(=S)NCCc1cccs1	784144200	HPUZAEIGBVFLIP-SNVBAGLBSA-N	303.428	1.780	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNC(=S)NC(C)(C)C)s1	899993275	VCEAJAMVXNMSTD-UHFFFAOYSA-N	300.453	1.596	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1cn(-c2ccc(Cl)cc2)nn1	780754020	YBMGXDPBDBRPNN-UHFFFAOYSA-N	314.736	1.495	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCN2CCC[C@@H]2C)c1	897514849	ALYCNKRFADTLNR-NSHDSACASA-N	310.423	1.485	50	20	DDGD	
Cc1cnc(C(=O)NNc2cccc(S(C)(=O)=O)c2)c(C)c1	780738269	CTPBVLOMFXKQSQ-UHFFFAOYSA-N	319.386	1.859	50	20	DDGD	
O=C(Cc1cc2ccccc2o1)NNC(=O)C1CCOCC1	894103769	PIUMUZRWTPPJTG-UHFFFAOYSA-N	302.330	1.549	50	20	DDGD	
CC1(C)OC[C@H](CNC(=O)NNc2ncnc3ccsc23)O1	783268792	RYNZZFBDSYPVJW-QMMMGPOBSA-N	323.378	1.469	50	20	DDGD	
CN1CCCC[C@H](CNC(=O)NNc2cncc(Cl)n2)C1	897546406	ZTLPTOPRNSZJCG-SNVBAGLBSA-N	312.805	1.488	50	20	DDGD	
O=C(CCc1ccc(O)nc1)NNC(=O)Cc1ccccc1F	787338598	CFQRSNKQFNJQDV-UHFFFAOYSA-N	317.320	1.249	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)COc1ccc(C=O)cc1	899995487	RGRORNRCYRXPDP-UHFFFAOYSA-N	309.391	1.172	50	20	DDGD	
Cc1cccc(NNC(=O)NCCOC2CCSCC2)n1	899061972	UTELLLYWUWVWGR-UHFFFAOYSA-N	310.423	1.928	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)c2ccccc2)c(F)c1	790382487	SIIIGKHPHIVKEY-UHFFFAOYSA-N	324.333	1.458	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)COc2ccc(F)cc2)CCC1=O	798306807	AYRNIQWMMBFGKL-GHMZBOCLSA-N	322.336	1.357	50	20	DDGD	
Cc1cccnc1NNC(=O)C1CCC(NC(=O)C2CC2)CC1	793956318	XFWVRYHBZJABNW-UHFFFAOYSA-N	316.405	1.918	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)c1ccc(OC)c(OC)c1	792789090	GMVNFPNMFKVEEU-IINYFYTJSA-N	324.377	1.526	50	20	DDGD	
N#C/C(=C\c1ccc(Br)cc1F)S(N)(=O)=O	798230344	PQSQSMKAYNPJFJ-FPYGCLRLSA-N	305.128	1.741	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCCCc2cc(C#N)ccc21	794859343	RNJACBFOAUCBCT-UHFFFAOYSA-N	314.345	1.461	50	20	DDGD	
C[C@@H](Oc1ccc(C=NNC(=O)c2ccoc2)cc1)C(=O)O	794898733	AJUUNMVRTPBXHI-SNVBAGLBSA-N	302.286	1.895	50	20	DDGD	
O=C(CN(CC1CC1)C1CCC1)NNC(=O)c1cccs1	796577785	QOYPYSGTWPJGAQ-UHFFFAOYSA-N	307.419	1.774	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1ccc2nncn2c1	791076449	PTNFGEFYECVSAR-UHFFFAOYSA-N	316.252	1.534	50	20	DDGD	
Cc1cccnc1NNC(=O)Cn1cnc2sccc2c1=O	791225065	LTEGTOLLKNLLQZ-UHFFFAOYSA-N	315.358	1.305	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(C)nc2)c(O)c1	795300370	MXRSSGYBHICGJG-UHFFFAOYSA-N	321.358	1.027	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H]2CCCc3nn(C)cc32)n1	799099735	DGUSBKGJFIPYOR-VIFPVBQESA-N	320.784	1.735	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)CN(C)CC(=O)NC(C)C	799755682	IDPPGIHQYGAALX-UHFFFAOYSA-N	320.437	1.457	50	20	DDGD	
C[S@](=O)c1ccc(CC(=O)NNC(=O)C2CCCC2)cc1	797827362	FABGRXODOZANTQ-NRFANRHFSA-N	308.403	1.304	50	20	DDGD	
O=C(C[C@@H]1C=CS(=O)(=O)C1)NNc1cccnc1Cl	1319519213	HXRUABVSGCNGJR-QMMMGPOBSA-N	301.755	1.127	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H](C)n1ccnc1	1318035305	SMGTXFFCSZTGKK-LBPRGKRZSA-N	316.361	1.233	50	20	DDGD	
CC(C)Nc1nnc(SCC(=O)NNC(=O)C2CC2)s1	1318781242	YIPRCORHYHIESN-UHFFFAOYSA-N	315.424	1.008	50	20	DDGD	
O=C(NNc1ncccc1F)c1cccc(N2CCNC2=O)c1	1323939231	MLVGLKVJAHQHSZ-UHFFFAOYSA-N	315.308	1.507	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cn1ccc2ccccc21)n1ccnc1	1326708934	ASYXCMLGOBPESM-GFCCVEGCSA-N	311.345	1.246	50	20	DDGD	
Cn1ccc(NNC(=O)c2csc(-c3ccccn3)n2)n1	1322272662	FDBHRBUFTMSYFZ-UHFFFAOYSA-N	300.347	1.696	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@]1(C#N)CC12CCCC2	1324722657	YRGYZYUILBDPSV-ZDUSSCGKSA-N	312.464	1.319	50	20	DDGD	
CC(C)[C@@]1(C)C[C@H]1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1324151468	YGYKJYVTLNNKGF-MEDUHNTESA-N	304.394	1.732	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)CCCc1ccccc1)C1CC1	1331865856	KKAVGTHNBPKPQO-MRXNPFEDSA-N	304.390	1.972	50	20	DDGD	
Cc1cc(C)n(CCCC(=O)NNc2ncc(Cl)cn2)n1	1333482188	GPCOYXSEXKEXED-UHFFFAOYSA-N	308.773	1.867	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N[C@@H]2C=CCC2)C[C@@H]1Br	1331084062	HPBBBVXIOHLFFO-VDDIYKPWSA-N	301.184	1.111	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cc(C(C)(C)C)nn1C	1349121048	ZONFWDAOFSWTBY-UWVGGRQHSA-N	323.397	1.295	50	20	DDGD	
C[C@]1(COC(=O)CNC(=O)N2CCCC2)C[C@H]1Br	1344037592	QHDYQUOWXDJOQI-BXKDBHETSA-N	319.199	1.509	50	20	DDGD	
O=C(NNC(=O)c1ocnc1C1CC1)c1n[nH]c2c1CCCC2	1343672259	XEHNWHKMUQOYRN-UHFFFAOYSA-N	315.333	1.229	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccc2oc(C(=O)O)cc2c1	1601187013	LAJRSYBAQISVGI-UHFFFAOYSA-N	320.305	1.023	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)O)c(Cl)c1)C(=O)N1CCCC1	1608477214	GTVHNDRTHAEKKR-UHFFFAOYSA-N	323.736	1.111	50	20	DDGD	
O=C(O)[C@H](CF)NC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	1601649624	LEOZKJTWEXIEIG-LITAXDCLSA-N	308.147	1.479	50	20	DDGD	
CC(C)(C(=O)O)n1cc(NC(=O)NNc2ccccc2)cn1	1603286057	ISEROUNGJVYNLK-UHFFFAOYSA-N	303.322	1.851	50	20	DDGD	
C[C@H](CC(F)(F)F)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1605433179	HRIOQBPUMIFQLV-SSDOTTSWSA-N	314.271	1.898	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)C(=O)O)C[C@H](c2ccccc2)C1	1604676192	LEQJYXFNGXEOCU-UHTWSYAYSA-N	319.361	1.374	50	20	DDGD	
COc1cc(C=NNC(=O)C2CCC2)ccc1-c1nn[nH]n1	1605204713	CGCOATBLPPNFNJ-UHFFFAOYSA-N	300.322	1.126	50	20	DDGD	
Cc1nnc([C@H](C)NC(=O)NNc2ccc(C(=O)O)cc2F)o1	1600793009	UZFGSCNMQCOSDK-LURJTMIESA-N	323.284	1.603	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1ccc(OCC(=O)O)cc1	1602987571	SGGWVNZGWVQVAA-SMDDNHRTSA-N	320.345	1.415	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cc(C(=O)O)no2)cc1Cl	1601108849	UXOFZPQPETWFOU-UHFFFAOYSA-N	306.665	1.655	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H]1CCC[C@H]1C(=O)O	1608170092	RJZVJVVEKSFQED-DVFZLIDBSA-N	300.314	1.669	50	20	DDGD	
Nc1cc(F)ccc1C(=O)NNc1ccc(CC(=O)O)cc1	1608272192	SBJYIVUQCCCAPP-UHFFFAOYSA-N	303.293	1.792	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)CCC(C)C)c1cccc(C(=O)O)c1	1606341119	BLUPZQUHDTZQGR-AWEZNQCLSA-N	322.361	1.656	50	20	DDGD	
CCc1nnsc1C(=O)NNc1ccc(C)c(C(=O)O)c1	1605874132	OKCXUIKTJJDARV-UHFFFAOYSA-N	306.347	1.864	50	20	DDGD	
O=C(CCCc1cccs1)NNC(=O)C12CC(C(=O)O)(C1)C2	1610657552	ZDEMWUMHWPSDSO-UHFFFAOYSA-N	322.386	1.473	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@@H]1C(=O)NN=Cc1ccc[nH]1	1549308033	AIRUBKKZNXFNOR-STQMWFEESA-N	301.350	1.366	50	20	DDGD	
COc1ccc(C(=O)NN=C2C[C@H]3C[C@H](C(=O)O)[C@H]2C3)cc1	1610315536	OUUYOYXEICGLSK-WQAKAFBOSA-N	302.330	1.912	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@H]1C(=O)NN=C1CCC(O)CC1	1549321265	SXDMQDVGUOPKIM-RLSDIYDTSA-N	320.393	1.295	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C(=O)NN=C1CCOC1(C)C	1549314519	HVQOXEGIUKFXTK-WCQYABFASA-N	320.393	1.559	50	20	DDGD	
CC[C@]1(C(=O)NNc2ncccc2Br)CCCN1	1577198616	QXYDXCQHENKLNO-GFCCVEGCSA-N	313.199	1.819	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H](F)[C@@H]2CCNC2)cc1F	1578870979	NFQHBEIWANZQCM-PELKAZGASA-N	313.304	1.003	50	20	DDGD	
CC(F)(F)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	1589905549	INUIQQBFSSSTOT-UHFFFAOYSA-N	303.660	1.013	50	20	DDGD	
O=C(NNC(=O)c1cccc2ccccc12)N[C@H]1C[C@H]2CC[C@@H]1N2	1580737120	KXVDAIAFPKGTTI-KCXAZCMYSA-N	324.384	1.677	50	20	DDGD	
CC(C)(CCl)C(=O)N1CCCC12CN(C(=O)CCC#N)C2	1841225765	IANAKOUXICPFAM-UHFFFAOYSA-N	311.813	1.759	50	20	DDGD	
Cc1cccc(O)c1C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1581244597	REMSEOKNCCROKI-UHFFFAOYSA-N	311.305	1.033	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)ccc1C(=O)NNc1ccc(C#N)cn1	1580621393	WAMAOKMSCBPTOC-UHFFFAOYSA-N	320.316	1.199	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2N1)c1ccccn1	1580732954	KYPCMECFQYSWHR-DYEKYZERSA-N	302.378	1.153	50	20	DDGD	
CN(C)CC(=O)N1CCCC12CN(C(=O)C(C)(C)CCl)C2	1842677666	CBJHPLUSDJQMLA-UHFFFAOYSA-N	315.845	1.016	50	20	DDGD	
O=C(N[C@@H]1CCNC1)[C@]1(c2ccccc2)C[C@H]1Br	1580742349	SHXGCCIYOJNWKJ-BZPMIXESSA-N	309.207	1.570	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)COC	1847867512	WJZOLMQCGDANCI-SRVKXCTJSA-N	302.802	1.242	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H]2C[C@@H]2F)C1	1845904208	MAPGIOZEVOROOF-AXFHLTTASA-N	302.777	1.565	50	20	DDGD	
CO[C@]12CCC[C@@]1(C(=O)NNc1ncccc1C(=O)O)CCO2	1594046098	PKGRJKYDEYAVKZ-GJZGRUSLSA-N	321.333	1.156	50	20	DDGD	
C[C@]1(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)O)C2)C[C@@H]1Br	1593758838	UXBJIDUPBHVKSM-LREZAOOKSA-N	302.168	1.529	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCCCCC(=O)O)cc1	1598871262	DQGWYCNHJYTCPB-UHFFFAOYSA-N	323.349	1.283	50	20	DDGD	
Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNc1cccc(Cl)n1	1591784618	VYIZPMGDIGJMRH-UHFFFAOYSA-N	318.728	1.309	50	20	DDGD	
O=C(NNc1ncccc1Cl)Nc1ccnc(C(=O)O)c1	1594781201	JEBVIGZHZAVCMC-UHFFFAOYSA-N	307.697	1.977	50	20	DDGD	
N#Cc1cccc(C=NNC(=O)Nc2ccc(C(=O)O)cc2)n1	1776045467	MQRAXVOROZORAH-UHFFFAOYSA-N	309.285	1.807	50	20	DDGD	
O=C(NN=Cc1c(C(=O)O)ccc2c1OCO2)c1ccccn1	1776028356	JYNDTWCFYJNWIC-UHFFFAOYSA-N	313.269	1.272	50	20	DDGD	
Cc1cc(C=NNC(=O)c2cccc(C(=O)O)c2)cnc1F	1776096116	LUWUDBVEFIWOQH-UHFFFAOYSA-N	301.277	1.991	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCO[C@H]2C)ccc1C(=O)O	1776082541	XCIDIYULKFRBBQ-GXSJLCMTSA-N	306.318	1.269	50	20	DDGD	
O=C(O)c1cnc(Cl)cc1C=NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	1776090804	BBYNSTKBPFOXJR-FXPVBKGRSA-N	323.736	1.451	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc(S(C)(=O)=O)cc2)n1	11333747	KGEMQZWBCFDZEN-UHFFFAOYSA-N	320.374	1.254	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccc([N+](=O)[O-])cc1)N1CCCC1=O	150884034	HKYNWVYFYSCJGY-LBPRGKRZSA-N	306.322	1.439	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc3c(C)c(C)[nH]c23)[nH]n1	151189439	TZUVKDDRRVWEQP-UHFFFAOYSA-N	311.345	1.891	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1C1CC1)c1cc(-c2cccs2)n[nH]1	152314964	MMXDWJHZMLHFHR-VHSXEESVSA-N	316.386	1.945	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccncc2)c(C)c1	159826869	NKIARLZEWYVKFT-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC2(C1)CN(S(=O)(=O)CCl)C2	907858922	DFUJTPRIMPVKPC-UHFFFAOYSA-N	324.830	1.455	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)c2ccncc2)cc1OC	258361	WOFIADUHUUEVKK-UHFFFAOYSA-N	315.329	1.103	50	20	DDGD	
O=C(NN=C1CCCc2ccccc21)[C@H]1CCS(=O)(=O)C1	7324394	BAAVIEQHSXDSKW-LBPRGKRZSA-N	306.387	1.278	50	20	DDGD	
CCOC(=O)CN(C)C(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	104331845	OHODGJQQXKKFII-MLPAPPSSSA-N	314.345	1.134	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cc(C)c(OC)cc1C	55617211	YGQQFVURZFXXMH-SECBINFHSA-N	314.407	1.668	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2cccnc2)c(F)cc1F	176304922	FDGPVSFUSCCMAY-UHFFFAOYSA-N	305.284	1.672	50	20	DDGD	
Cc1cccc(N2C[C@@H](C(=O)NNC(=O)C(C)C)CC2=O)c1C	22181643	JWFDSHOFEHURIL-ZDUSSCGKSA-N	317.389	1.460	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CC2CCOCC2)cc1	117135197	FLCYUIHJNJSANZ-UHFFFAOYSA-N	320.389	1.592	50	20	DDGD	
O=C(NNC(=O)c1cc(Br)c[nH]1)c1cccnc1	27635332	VXCZABZULZXION-UHFFFAOYSA-N	309.123	1.247	50	20	DDGD	
O=C(CCSCc1ccccn1)NNC(=O)NCC1CC1	65191786	BXINFEHEXGJIHS-UHFFFAOYSA-N	308.407	1.445	50	20	DDGD	
O=CNc1ccc(C(=O)NNC(=O)NC2CCCCC2)cc1	173615588	COPGPZWDDOSMEW-UHFFFAOYSA-N	304.350	1.532	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1ccc(F)cc1C(F)(F)F	103057832	BABBAJLEBLGJCT-UHFFFAOYSA-N	316.232	1.394	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](c1ccccc1)C(F)(F)F	66699951	PBJOVIPGRCAZQL-LLVKDONJSA-N	319.283	1.657	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)c2ccc[nH]2)c(F)cc1F	175763294	UIIANGGCFJLNSB-UHFFFAOYSA-N	315.301	1.225	50	20	DDGD	
Cc1nn(C)c2ncc(/C=C(\C#N)C(=O)Nc3ccn(C)n3)cc12	179418728	YURXYLSXTQJWES-WUXMJOGZSA-N	321.344	1.556	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)C[C@@H]1CCS(=O)(=O)C1	184376856	IMUJQMOISODAHK-JTQLQIEISA-N	300.355	1.402	50	20	DDGD	
CCn1nc(C)c(NC(=O)C(=O)NNc2ccc(F)cc2)c1C	181358232	VYXOEMGZILYNQO-UHFFFAOYSA-N	319.340	1.741	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc(N3CCCC3)nc2)n1	171373514	OGIUVWOSRMHZSD-UHFFFAOYSA-N	314.349	1.237	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)NCC)[nH]c(C)c1C(=O)OC	65189406	UEGSQOGIDOAZIE-UHFFFAOYSA-N	310.354	1.026	50	20	DDGD	
O=C(/C=C/c1ccco1)NNC(=O)c1cnn(-c2ccccc2)c1	112823757	XSPFMKQCQFNCGK-CMDGGOBGSA-N	322.324	1.940	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCCOc1ccccc1F	119923231	YIMJBVXLPBDSCB-UHFFFAOYSA-N	311.382	1.666	50	20	DDGD	
CCOc1ccc(-c2nc(C(=O)NN(C)C(N)=O)cs2)cc1	179695320	BJWNHRNGDUVVCX-UHFFFAOYSA-N	320.374	1.864	50	20	DDGD	
CN1CCC[C@@H](CNC(=O)NNC(=O)c2cccc(Cl)c2)C1	171768757	SPKUNXGTJMJOKE-NSHDSACASA-N	324.812	1.626	50	20	DDGD	
CCOCCC1(C(=O)NNC(=O)c2cccc(C#N)c2)CCC1	123624000	IJTVFFCIPBEBLW-UHFFFAOYSA-N	315.373	1.916	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)CO)c1C	129515759	ZUDQRGXDMIQFLE-SHLUWWQESA-N	305.378	1.155	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1cn(Cc2ccccc2)nn1	182418338	QEIAFHFEWVZUGR-UHFFFAOYSA-N	312.308	1.617	50	20	DDGD	
CC(C)C[C@@H](C(=O)NNc1ccncc1)N1CCCCC1=O	180525564	AEVNNZOBOCECCN-AWEZNQCLSA-N	304.394	1.952	50	20	DDGD	
O=C(Cc1ccc2c(c1)OCCO2)NNc1ncc(F)cn1	122809836	WREGVWBGCXGOHW-UHFFFAOYSA-N	304.281	1.073	50	20	DDGD	
Cc1cc(C(=O)NNc2ncc(F)cn2)c2c(C)noc2n1	122774355	XJXOARVRXYOLSV-UHFFFAOYSA-N	302.269	1.526	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cc(C)n[nH]1)c1ccc(F)cc1	128235303	NIUFUDPRIOBYAS-LBPRGKRZSA-N	304.325	1.812	50	20	DDGD	
COc1ccc(NNC(=O)Cc2n[nH]c3c2CCCC3)nc1	187471424	UBAGALWGWZZSAX-UHFFFAOYSA-N	301.350	1.378	50	20	DDGD	
COc1cccc([C@H](O)C(=O)NNC(=O)c2ccc(C)o2)c1	120973659	IVLQNYQHQBGGTO-ZDUSSCGKSA-N	304.302	1.091	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CNc1ccccc1	73301873	YKRBAQLSIADFHU-UHFFFAOYSA-N	313.357	1.497	50	20	DDGD	
N#CC(C#N)=CN[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O	188567782	FFTRVZJJHIEZTK-OAHLLOKOSA-N	316.311	1.976	50	20	DDGD	
Cc1ccc2cc(C(=O)NNC(=O)c3cnn(C)c3)ccc2n1	133836448	HUICZGAJXVVFOE-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
CC(C)CCSCC(=O)NNc1cc(Cl)nc(N)n1	134062120	OANAOFZQXPOZTC-UHFFFAOYSA-N	303.819	1.935	50	20	DDGD	
O=C(CCOC[C@H]1CCCO1)NNc1ccc([N+](=O)[O-])cc1	134061815	FJNSLERKCSRCCX-CYBMUJFWSA-N	309.322	1.624	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCCOCCO)cc1	192687417	QILMJCLLQVKRTE-SDNWHVSQSA-N	304.346	1.117	50	20	DDGD	
COCCOc1ccc(CC(=O)NNC(=O)CC(C)(C)C)cc1	192110205	VPPVUOXQYDOYNL-UHFFFAOYSA-N	322.405	1.838	50	20	DDGD	
CS[C@@H](C)CNC(=O)NNC(=O)c1c(C)nc2ccccn12	133094585	ROJBHFPQMQMLIE-VIFPVBQESA-N	321.406	1.338	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(N3CCCC3)nc2)o1	84285474	CCCSJFVNZNZICL-UHFFFAOYSA-N	314.345	1.658	50	20	DDGD	
COc1cc(C)sc1C(=O)NNc1nc2ccccn2n1	191904487	YZMDZEGJDNWPST-UHFFFAOYSA-N	303.347	1.865	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)Cc2ccncc2)s1	81025390	MDGHMMAPTMHNBT-UHFFFAOYSA-N	318.402	1.803	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCc1nccs1	80044600	KGYODUNLDUZYEN-UHFFFAOYSA-N	305.363	1.987	50	20	DDGD	
O=C(NNC(=O)c1ccc(Br)s1)NC1CC1	49128933	ZSQWYODMPOELHA-UHFFFAOYSA-N	304.169	1.617	50	20	DDGD	
Cc1ccccc1NNC(=O)CN1C(=O)c2ccccc2C1=O	192736505	AMWGLNBGLGUGPT-UHFFFAOYSA-N	309.325	1.734	50	20	DDGD	
CCOc1ncccc1NC(=O)NNc1nc2ccccn2n1	191413828	IGRNVXOMAKTWRR-UHFFFAOYSA-N	313.321	1.672	50	20	DDGD	
O=C(NNC(=O)c1cccnc1OCC(F)F)c1ccncc1	133517460	IXFRZFJKNQMHTL-UHFFFAOYSA-N	322.271	1.195	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)C1CCC(O)CC1	194247250	HBZJUDBQONFECQ-UHFFFAOYSA-N	304.390	1.708	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccccc1CS(C)(=O)=O	194597200	LDHFKQJRDFFHIV-FMIVXFBMSA-N	308.359	1.614	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cccc(-n2cccn2)n1	191928901	INRQEKPECYEEPO-UHFFFAOYSA-N	320.316	1.067	50	20	DDGD	
COc1cccc([C@@H](C)C(=O)NNC(=O)NCC(F)(F)F)c1	193854534	BXYKWTUKPNCDGD-MRVPVSSYSA-N	319.283	1.691	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C1(C#N)CCCC1	98106055	BSSVEUYJQPCUSP-UHFFFAOYSA-N	301.346	1.469	50	20	DDGD	
C=CCCOCC(=O)NNC(=O)c1cn(C)c2ccccc12	143829212	JCOLCHOYUFRGRQ-UHFFFAOYSA-N	301.346	1.532	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC(C)(C)C)c2c(C)n[nH]c2n1	264051634	SZATYVRCWGOLRL-UHFFFAOYSA-N	303.366	1.772	50	20	DDGD	
CS[C@@H](C)CNC(=O)NNC(=O)COc1ccc(C)cc1	269869105	HNAIRCJMIMGCPF-NSHDSACASA-N	311.407	1.456	50	20	DDGD	
CN(C)[C@]1(CNC(=O)NNC(=O)c2ccccc2)CCSC1	267188528	OAPHBXNBAMDZRZ-HNNXBMFYSA-N	322.434	1.068	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCc2nccn2C)cc1	264203740	QSSFSIAKYCLEOW-UHFFFAOYSA-N	301.350	1.127	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)o1	267868190	UBVMGLVJAMOTPJ-SECBINFHSA-N	311.338	1.262	50	20	DDGD	
CCOCCC1(C(=O)NNc2ccc(C(=O)OC)cn2)CCC1	270348454	BFFOSOIOYSBQLK-UHFFFAOYSA-N	321.377	1.908	50	20	DDGD	
CCN1CCOC[C@H]1C(=O)NNc1c(F)cccc1Cl	364285295	AWTICYVWXKCDDX-NSHDSACASA-N	301.749	1.643	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H]1Oc2ccccc2O[C@@H]1C	274017263	AZZCHBUVBXHCFG-SKDRFNHKSA-N	316.317	1.157	50	20	DDGD	
CCCS(=O)(=O)Nc1cccc(NC(=O)NNC(C)=O)c1	273163751	CHTXSIDPYKLBFK-UHFFFAOYSA-N	314.367	1.011	50	20	DDGD	
CC(C)=CCCNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	276925267	YFXPPSXZDBULRW-UHFFFAOYSA-N	306.322	1.895	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNc1ccc(C(F)(F)F)nn1	282247252	BVXPFVCSRSWSQD-NYNCVSEMSA-N	304.272	1.752	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Nc1ncccc1C	285605245	YALXVOSNLFPMRD-UHFFFAOYSA-N	310.354	1.332	50	20	DDGD	
COCCN(C)NC(=O)COc1ccc(Cl)cc1Cl	288545326	YHYRNEPSYMJBDB-UHFFFAOYSA-N	307.177	1.982	50	20	DDGD	
CSSCCNC(=O)[C@H](NC1CCOCC1)C(C)C	807512943	CXABOKTZSIZAPA-GFCCVEGCSA-N	306.497	1.907	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)CCc1ccc(OC)cc1	294976663	XWAQORIUGIYLNP-AWEZNQCLSA-N	308.378	1.590	50	20	DDGD	
COCC1(C(=O)NNc2cccc([N+](=O)[O-])c2)CCOCC1	291343275	ROHKYVIALHTXHZ-UHFFFAOYSA-N	309.322	1.481	50	20	DDGD	
CCCOc1cccc(CC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	293915214	AQCKULNQKYUKFK-WFASDCNBSA-N	320.389	1.733	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCc2cncc(C)c2)nc1	293455400	NCQCSQMUJKGQET-UHFFFAOYSA-N	314.345	1.648	50	20	DDGD	
O=C(NNC(=O)c1ccc(-n2ccnc2)nc1)NC1CCCC1	299312515	DGNAEZMTAGOWRN-UHFFFAOYSA-N	314.349	1.154	50	20	DDGD	
Cc1ccc(NCCCNC(=O)NNC(=O)CC(C)C)nc1	298675880	NOOJITDOCJXXCF-UHFFFAOYSA-N	307.398	1.569	50	20	DDGD	
N#CCCCCCC(=O)NNC(=O)c1ccc2c(c1)OCCO2	805153894	UKBHZLPTADXADY-UHFFFAOYSA-N	317.345	1.693	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)NC1CCSCC1	299579445	GYJZIMGFJVIZHH-UHFFFAOYSA-N	324.362	1.434	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H](c2ccccc2)OC1=O)C1CCCC1	809603381	DTLYGPQQLNZXLZ-ZIAGYGMSSA-N	316.357	1.628	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1coc2ccccc12	803720316	BQLRSDNBLIDGMW-SNVBAGLBSA-N	318.329	1.464	50	20	DDGD	
C[C@H]1COCC[C@@H]1CNC(=O)NNc1ncc(F)cc1F	297924033	JDYFEJYBMORSBQ-DTWKUNHWSA-N	300.309	1.659	50	20	DDGD	
O=C(NNC(=O)C1(Cc2cccc(F)c2)CCOCC1)C1CC1	292469440	KSMRKVZMURBNFQ-UHFFFAOYSA-N	320.364	1.722	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)N[C@@H]2CC2(C)C)nc2ccccc21	299033324	CUWPOWGOLUDBNE-GFCCVEGCSA-N	315.377	1.245	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cc2ccccc2oc1=O	802033160	NGZSXOXXVRRDFE-UHFFFAOYSA-N	324.296	1.076	50	20	DDGD	
CC[S@](=O)CC(=O)NNC(=O)c1ccc(Cl)cc1Cl	295301950	XSWYVFAHHZJWQH-IBGZPJMESA-N	323.201	1.523	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@H]1CC(=O)Nc2ccccc21	298126155	WORMXPQZJBKECI-JTQLQIEISA-N	305.334	1.668	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCn2cncc2C1	290885577	CFBJIIMSQMIZPV-UHFFFAOYSA-N	307.785	1.591	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1c[nH]nc1-c1ccccc1F	294168427	NNQOFEQVPNHMTH-UHFFFAOYSA-N	302.309	1.777	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1sccc1-n1cnnn1	804769132	HEDMYZUCKUATPR-UHFFFAOYSA-N	305.298	1.015	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)O1	294383785	WRDLURYVBNJWFF-WHIUSJLISA-N	324.327	1.783	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)nc1	297198226	NWFUUNOONWCLLP-KWQFWETISA-N	306.322	1.004	50	20	DDGD	
CN1CCOc2ccc(C(=O)NNc3ncncc3Cl)cc21	807322046	DFQSVIUNYJJEKY-UHFFFAOYSA-N	319.752	1.716	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCCCC1=NNC(=O)C1	819869383	NAXLXHQVSKUQRY-SNVBAGLBSA-N	318.215	1.568	50	20	DDGD	
O=C1CCCCC[C@@H](C(=O)NNc2nc3ccccn3n2)C1	813534798	HACBTLNUGNWVEM-LLVKDONJSA-N	301.350	1.712	50	20	DDGD	
Cc1cnn([C@H]2CCN([C@@H](C)C(=O)NNC(=O)CC(C)C)C2)c1	810120989	IJXWTMZMNUKJQI-KBPBESRZSA-N	321.425	1.020	50	20	DDGD	
O=C(COc1cc(F)cc(F)c1)NNc1ncncc1Cl	811327106	YPKDIYXBODOJKT-UHFFFAOYSA-N	314.679	1.930	50	20	DDGD	
Cc1nccc(CCC(=O)NNC(=O)c2ccc(Cl)nc2)n1	814525624	LDRKPZBRPYMHAU-UHFFFAOYSA-N	319.752	1.227	50	20	DDGD	
COCC(=O)N(C)CC(=O)NNc1c(C)cccc1C(C)C	812765767	ULUJWPONMSORMS-UHFFFAOYSA-N	307.394	1.666	50	20	DDGD	
COc1nccnc1NNC(=O)c1conc1C(F)(F)F	816971244	XUZBLXLEUMMNPX-UHFFFAOYSA-N	303.200	1.249	50	20	DDGD	
CC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)c1csnn1	814752871	HTLRZHBMEIXPNU-UHFFFAOYSA-N	306.307	1.183	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)c2ccccc2F)n1C	814700893	HLPYKKYLRXETFN-UHFFFAOYSA-N	303.293	1.715	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1cccc(N(C)C)c1)n1cccn1	819017766	MDUIWHXEGKMFIW-LBPRGKRZSA-N	315.377	1.361	50	20	DDGD	
O=C(NN=Cc1ncc(-c2ccccc2)s1)C(=O)NC1CC1	811637212	WQQDCQSQSCFOBD-UHFFFAOYSA-N	314.370	1.539	50	20	DDGD	
Cn1c(Cl)cnc1C=NNC(=O)COc1ccccc1O	814954011	ZFZQEQCPRYXASK-UHFFFAOYSA-N	308.725	1.308	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1cc(Cl)ccc1Br	816631794	FSXBGLSWLPIYFF-UHFFFAOYSA-N	316.546	1.978	50	20	DDGD	
Cn1cncc1CNC(=O)NNC(=O)c1cccc(Cl)c1	811924864	NKFRPMCSQWZITG-UHFFFAOYSA-N	307.741	1.218	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1ccc(O)cc1F	729932662	NVMDKNGTJWWQNU-NSHDSACASA-N	323.368	1.340	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1cccnc1Cl	814827065	STYGVTGVXVVHEG-UHFFFAOYSA-N	306.709	1.208	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NNc1ncncc1F	817067755	PRMYGOWPDDHHDV-UHFFFAOYSA-N	300.297	1.417	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2c(Cl)nc(N)n2C)cc1	814712342	SPBZVTGTIYADCP-UHFFFAOYSA-N	320.784	1.526	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1cccc(OCC(F)F)c1	726615280	GQSFLHLMVIUGMF-UHFFFAOYSA-N	315.320	1.817	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H](C)CN2CCC(C)CC2)n1	822698092	LAIZWQFFTNJVRY-LBPRGKRZSA-N	322.413	1.232	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@@H]1CCS[C@@H]1C	827650412	PVQKFDUYYHEQNP-DGCLKSJQSA-N	307.419	1.762	50	20	DDGD	
CN(C)C(=O)NNC(=S)Nc1ccc2c(c1)OCCCO2	727278965	JZQQJMCTMBTHDI-UHFFFAOYSA-N	310.379	1.321	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)C2CCCC2)cc1[N+](=O)[O-]	727664320	RIOVGNXJFFWTLY-UHFFFAOYSA-N	321.333	1.484	50	20	DDGD	
Cn1cnnc1CCCNC(=O)/C(C#N)=C\c1ccc(O)cc1	491044270	BRPHLMLGNUUPGQ-LCYFTJDESA-N	311.345	1.177	50	20	DDGD	
CC[C@H](Nc1ccccc1)C(=O)NNc1nnc(C)c(O)n1	729857237	KDDDROHIQCNQJH-NSHDSACASA-N	302.338	1.219	50	20	DDGD	
C[C@@H](c1ccc(-n2cncn2)cc1)N(C)S(=O)(=O)CCl	820780256	QLNYSWCBRAJHOO-JTQLQIEISA-N	314.798	1.786	50	20	DDGD	
CCOCCC(=O)NNC(=O)Cn1c(CC)nc2ccccc21	728187732	QCTJJLFGNYBDES-UHFFFAOYSA-N	318.377	1.173	50	20	DDGD	
CC(C)(C)OC(=O)[C@]1(C(=O)NNC(=O)C(C)(C)C)CC1(C)C	822245043	QBFUTTMXSXBTRQ-MRXNPFEDSA-N	312.410	1.938	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	494121112	XUFVEFHYYRSDJO-HMHCLHNZSA-N	323.393	1.095	50	20	DDGD	
CC(C)[C@H](C=NNC(=O)CN(C)C)CNC(=O)OC(C)(C)C	492456972	NGFYWXJZBOZYIV-LBPRGKRZSA-N	314.430	1.447	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC=CCC1	822192611	UDTXZSMFPCAWHJ-PBHICJAKSA-N	316.357	1.720	50	20	DDGD	
Cn1cc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1C(N)=O	491175068	JNACJYXTKWDZSP-IZZDOVSWSA-N	310.313	1.375	50	20	DDGD	
C[C@@H](CCS(C)(=O)=O)NC(=O)/C(C#N)=C/c1ccc(F)cc1	490876783	KVVXRSVIAOVWIO-GJSJWPQCSA-N	324.377	1.672	50	20	DDGD	
C[C@@H](CC(=O)O)C(=O)NNC(=O)Cc1cccc2ccccc12	827304213	RDZGOWIQCFIQIJ-NSHDSACASA-N	314.341	1.641	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2CNC(=O)C[C@@H]2C(F)(F)F)n1	824862937	KFTZEZKKVYCXEX-BDAKNGLRSA-N	316.283	1.148	50	20	DDGD	
COC(=O)N(C)CCNC(=O)NNc1c(F)cccc1Cl	822784605	MUSDGIAJLUWEQL-UHFFFAOYSA-N	318.736	1.803	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC2CC(C)(C)NC(C)(C)C2)cn1	820447643	VPPKKBAIQLFWDE-MLPAPPSSSA-N	315.421	1.752	50	20	DDGD	
COc1ccc(-c2cc(C(=O)NN(C)[C@H](C)CO)n[nH]2)cc1	823947530	YVLBQNVQHPDLGN-SNVBAGLBSA-N	304.350	1.043	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NNc1ccc(C#N)cc1	496902619	OAPMQPVMADCBCA-QWHCGFSZSA-N	316.361	1.915	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@]3(C)CCNC3=O)nc12	828352286	UYMFSNKGMNWUCC-CQSZACIVSA-N	304.375	1.574	50	20	DDGD	
OB(O)c1ccccc1CNCC1(c2ccc(F)cc2F)CC1	585032237	RKZZHYBAMFZRFA-UHFFFAOYSA-N	317.144	1.466	50	20	DDGD	
CC1(C)C[C@@H]1CNC(=O)NNC(=O)COCc1ccccc1	738477526	LARXUXGNXQQJEX-CYBMUJFWSA-N	305.378	1.580	50	20	DDGD	
COc1ccc2cccc(CC(=O)NN(C)[C@@H](C)CO)c2c1	823939128	GAOHRPRNTDKWOY-LBPRGKRZSA-N	302.374	1.735	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)cc1C(=O)O	901258855	KYDJQQZESPXPHZ-KWCYVHTRSA-N	302.330	1.711	50	20	DDGD	
CCc1cccc2c1OCC[C@H]2NCc1ccc(B(O)O)cc1	585021957	GMJNFWHQUSNAEY-QGZVFWFLSA-N	311.190	1.542	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCc2ncnc(O)c2C1	490693111	IJAAMRAOPXYVKR-KPKJPENVSA-N	324.315	1.813	50	20	DDGD	
CCOCC(=O)NNC(=S)Nc1ccc(C#N)c(Cl)c1	731161320	VOCKSQMDAAKWQI-UHFFFAOYSA-N	312.782	1.566	50	20	DDGD	
CN(CC(=O)NNc1ccc([N+](=O)[O-])cc1Cl)C(=O)O	833692627	SMDVMBIJFYXHRM-UHFFFAOYSA-N	302.674	1.301	50	20	DDGD	
COCC[C@H](C=NNC(=O)CC1CC1)NC(=O)OC(C)(C)C	495899358	YWPQCSTWGUVJDY-GFCCVEGCSA-N	313.398	1.818	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(Br)ccc1F	496085944	YXQWVSZRAOLYAJ-UHFFFAOYSA-N	305.103	1.931	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	831949097	PSMSJHHAYFHQPR-ZDUSSCGKSA-N	308.382	1.720	50	20	DDGD	
C[C@]1(C(=O)NC[C@H](CO)Cc2ccco2)C[C@@H]1Br	906050781	OIRBOYNPZKZWPF-CDMKHQONSA-N	316.195	1.720	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](CC)C(=O)O)cc1	830063621	FGYVUIHBRSAMNM-TZIYXEQSSA-N	302.330	1.972	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCC[C@H]2OCc2ccccc2)o1	585046047	PWZMBUBWGVZUAA-HZPDHXFCSA-N	315.178	1.187	50	20	DDGD	
COc1ccc([C@H](C)CCNCc2ccc(B(O)O)o2)cc1	585028611	LYMBPEFSTWXPRZ-GFCCVEGCSA-N	303.167	1.251	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@]1(C)CCCCO1	837310875	SAFVEQJHNUDABY-BDJLRTHQSA-N	324.352	1.700	50	20	DDGD	
CSC[C@H](C)NC(=O)NNC(=O)c1cc2c(s1)CCC2	736404855	BGMSVKLMZFPUGK-QMMMGPOBSA-N	313.448	1.932	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1cccc2c1OCCC2	901964863	RZIYEVFXBNWPNR-UHFFFAOYSA-N	322.386	1.125	50	20	DDGD	
Cc1ncc(C(=O)NNc2ccccc2S(C)(=O)=O)s1	732303203	BJBDWOZSXQHZAD-UHFFFAOYSA-N	311.388	1.612	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncc(F)cc1F)[C@@H]1CCCOC1	838549519	ZZZQIFIMKUMQTR-RKDXNWHRSA-N	300.309	1.801	50	20	DDGD	
COc1ccc(CNC(=O)NNc2cccnn2)c(OC)c1	736379643	XDWGNDCIMAGZBA-UHFFFAOYSA-N	303.322	1.320	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCO[C@H](c2cccc(F)c2)C1	732199985	TVNOQPGXVOEWQT-RISCZKNCSA-N	323.368	1.145	50	20	DDGD	
CCCN1C[C@H](C(=O)NNc2ccc(OCC)cc2)CC1=O	839776704	BBKRJJYVMHIHTR-GFCCVEGCSA-N	305.378	1.787	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCCN1CCC(O)CC1	837020142	CACQNTFMXUTJEX-NSHDSACASA-N	321.259	1.369	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2CC=CCC2)cc1OC	737061368	MHUWHACLMDJKLZ-LBPRGKRZSA-N	319.361	1.757	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)/C=C\c1cnn(C)c1)c1ccccc1	731997671	RZSKEGFRTRRJBY-FJVVXJACSA-N	312.373	1.775	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)CC[C@H]1C	832895232	YBWMANXPJWSRLY-ZOBORPQBSA-N	316.467	1.551	50	20	DDGD	
C[C@H]1CC(=NNC(=O)COc2ccccc2F)c2nccn21	834921474	FXOVOZIFWMPSHG-JTQLQIEISA-N	302.309	1.886	50	20	DDGD	
CN1C(=O)C(=NNC(=O)c2ccc(Cl)nc2)c2ccccc21	915973663	QMISQARZDJNIDW-UHFFFAOYSA-N	314.732	1.846	50	20	DDGD	
CC(C)Oc1ncccc1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	831307114	RVKUXLFQVCNTQA-QWRGUYRKSA-N	322.365	1.447	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCC[S@@](C)=O)cc1	735051837	HDHALAZOUUXGIN-NZIDHHNMSA-N	306.387	1.487	50	20	DDGD	
O=C(NN=C1CCN(CC(F)(F)F)CC1)[C@H]1CCCCO1	834988789	MVTAMWRCRJMYIR-LLVKDONJSA-N	307.316	1.686	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=S)NC(C)C)cc1C	916546620	GFYQDMCWTZJPFD-UHFFFAOYSA-N	308.407	1.146	50	20	DDGD	
O=C(NCC1Cc2ccccc2C1)NNC(=O)[C@@H]1CCCCO1	836308354	GBLJTBAMYLUPAN-HNNXBMFYSA-N	317.389	1.301	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2cnc(C)cc2C)n1	836659101	UXUCKIGWZREBGK-UHFFFAOYSA-N	316.365	1.632	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)N[C@@H](C)C[C@@H](C)N	831197238	KHUKNKYLBRFOCT-NEPJUHHUSA-N	322.409	1.084	50	20	DDGD	
O=C1CSc2ccc(C(=O)NNc3ncccn3)cc2N1	913044354	RBIUPYJDQGLLEL-UHFFFAOYSA-N	301.331	1.278	50	20	DDGD	
COc1cc(C)c(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1OC	843651555	DLEUUAVVOSXEER-QWRGUYRKSA-N	322.361	1.198	50	20	DDGD	
CC[C@@H](C)Oc1cccc(S(=O)(=O)NNC(=O)C(C)C)c1	849303590	GJMYVZUCUQSCJA-LLVKDONJSA-N	314.407	1.829	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=O)OCC(F)(F)F)C1	912597695	ZSYUZKIPGCLXFS-HTRCEHHLSA-N	320.271	1.395	50	20	DDGD	
COC1(OC)CC(NC(=O)/C(C#N)=C\c2ccc(O)cc2)C1	911027271	ANOANKJAHAJZOS-GHXNOFRVSA-N	302.330	1.567	50	20	DDGD	
CCCn1nc(C(=O)NN=Cc2ccc[nH]2)c2ccccc2c1=O	916319084	CPAFJTIHFFHUJT-UHFFFAOYSA-N	323.356	1.899	50	20	DDGD	
O=C(NNc1cccc(F)c1)[C@H]1CCCN1c1ncccn1	748087137	HNGRDEVGTQIVGV-CYBMUJFWSA-N	301.325	1.728	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H](C)OCC(C)C)cc1	846372745	ZUCIAGUTAQBAHA-GFCCVEGCSA-N	308.378	1.906	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1Cl	843655352	VBYOKDLWPAQRPI-DTWKUNHWSA-N	314.773	1.051	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN(C2CCCCC2)C1)C1CCCC1	748839655	DBVLNYLZCGIZFJ-AWEZNQCLSA-N	307.438	1.979	50	20	DDGD	
O=C(NNS(=O)(=O)c1cncc(F)c1)NC1CCCCC1	749152010	OGXGIKDUCREXKT-UHFFFAOYSA-N	316.358	1.046	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)CC1CC1)N1CCc2ccccc21	848144156	MFYDVBOCCGOPDN-LBPRGKRZSA-N	301.390	1.775	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CCn1cc(Cl)cn1	917496701	JNSKESUYOVVGPZ-UHFFFAOYSA-N	306.753	1.696	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2F)CCN1C	745857919	MANLXXFWCOJEQH-GHMZBOCLSA-N	308.357	1.252	50	20	DDGD	
CSSCCNC(=O)N1CCC([C@@H]2OCC[C@H]2N)CC1	841900514	ISRYJDMEBVJGNK-NEPJUHHUSA-N	319.496	1.535	50	20	DDGD	
NC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)Cc1ccc(F)cc1	841951433	WMLQPHCDVUAQHJ-GXTWGEPZSA-N	322.384	1.216	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=Cc1cc(C)n(C)n1	841606573	INJGKWACUWQYNR-UHFFFAOYSA-N	300.362	1.820	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@@H]1CC[C@H]2CNC[C@@H]2C1	842015942	RWLYOHDBGCLBSN-LPEHRKFASA-N	310.789	1.144	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Cc1ccc2c(c1)OCO2	918549131	CHXCTKOJFNIIAI-UHFFFAOYSA-N	312.325	1.727	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)CCOCC(C)C	915292121	LPQZHUPDYKOFOM-UHFFFAOYSA-N	323.393	1.317	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNc1ccnc(N(C)C)n1	740114156	QZXMOTUZMBTUME-UHFFFAOYSA-N	321.768	1.962	50	20	DDGD	
Cc1ccc(NNC(=O)CCC[C@]2(C)NC(=O)NC2=O)cc1	749192190	APACWROFMOXYDQ-HNNXBMFYSA-N	304.350	1.207	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1cnn(-c2ccc(C#N)cc2)c1C	741809743	IRALTQVLHBZDSB-UHFFFAOYSA-N	324.388	1.454	50	20	DDGD	
Cc1cccc2c(CC(=O)NNC(=O)c3ccccn3)c[nH]c12	741206603	GNRUIYLZLJGDFU-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
Cc1c(CCC(=O)NNc2ccc(F)c([N+](=O)[O-])c2)cnn1C	842247119	KJLMFPZYLUBWBL-UHFFFAOYSA-N	321.312	1.852	50	20	DDGD	
CC(C)(C)CCNC(=O)NNC(=O)Cc1cn2ccccc2n1	746751365	MXBFSOFRHFQXOC-UHFFFAOYSA-N	317.393	1.643	50	20	DDGD	
CS[C@@H]1CC[C@H](NC(=O)NNC(=O)c2ccccc2O)C1	745897619	RBHWABXUMINDNQ-VHSXEESVSA-N	309.391	1.620	50	20	DDGD	
CNCCNC(=O)NNc1c(F)cc(F)cc1Br	841934957	OMDIXTIRVVAEKE-UHFFFAOYSA-N	323.141	1.573	50	20	DDGD	
O=C(NNc1ncccn1)N[C@@H](Cn1cccn1)c1ccccc1	741425855	MSXXOXAIWSHUIR-AWEZNQCLSA-N	323.360	1.741	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCC3(CC2)CC3(F)F)cn1	846468351	AGUAYYBAFKRYLY-WUXMJOGZSA-N	306.316	1.975	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc([N+](=O)[O-])c1	843649762	XEJGFDPUVJRXMF-CABZTGNLSA-N	307.306	1.089	50	20	DDGD	
NNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O	841874996	PXGQWTQABQPWAY-SECBINFHSA-N	303.149	1.272	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1cccc(O)c1)NC1CCCC1	840294074	QXNORVGIABLXOC-UONOGXRCSA-N	303.362	1.769	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1ccc(Cl)cc1O	841628529	XZPDKCFMUKRBJS-JTQLQIEISA-N	314.769	1.937	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)COc1ccc(F)cc1)n1ccnc1	920602018	GYRWUKXXGHPVAP-LLVKDONJSA-N	320.324	1.200	50	20	DDGD	
COC(=O)COCCNC(=O)NNc1ccc(F)cc1Cl	923431357	RGBJVMNQXKIINE-UHFFFAOYSA-N	319.720	1.295	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1cccc(-n2ccnn2)c1	757735239	QXGXNTPPPSYGLB-UHFFFAOYSA-N	323.316	1.129	50	20	DDGD	
CC(=O)Nc1cc(NC(=O)NNC(=O)CC2CC2)ccc1C	755913077	NQHIBFLCCCFOGA-UHFFFAOYSA-N	304.350	1.906	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21	859829110	LEIZEZYHMHAQEV-HYVNUMGLSA-N	307.353	1.357	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@@H]1CCCc2cccnc21	927376097	BSZJLLCLDZWKTE-OLZOCXBDSA-N	318.377	1.359	50	20	DDGD	
O=C(NNC(=S)NCC(F)(F)F)c1c[nH]c2ccccc12	750972576	GCKIMEGLXRVHOD-UHFFFAOYSA-N	316.308	1.839	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2cccc(C(=O)OC)c2C)CCC1	855627588	UBLMJSDCKXKANR-UHFFFAOYSA-N	319.361	1.141	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1c(F)cc(C#N)cc1F)C1CC1	855099053	QMRJKQBXAMWEBZ-ZETCQYMHSA-N	324.356	1.744	50	20	DDGD	
CC(C)CC1(C)CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1	858700566	OLIGCIFAQBBVDV-GFCCVEGCSA-N	324.425	1.154	50	20	DDGD	
O=C(NNC(=O)C1(c2ccc(F)cc2)CCC1)c1cc[nH]n1	855361783	JACRLXNBQSKZFQ-UHFFFAOYSA-N	302.309	1.432	50	20	DDGD	
CCn1cc(CNC(=O)NC[C@@]2(C)C[C@@H]2Br)cn1	856856758	LRNYYRKWWSPLHL-CMPLNLGQSA-N	315.215	1.876	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)C1CCOCC1	853388430	HMJSZDTXNQIWBW-HIFRSBDPSA-N	309.410	1.158	50	20	DDGD	
O=C(NNC(=O)C1CC1)C1CCC(NC(=O)C2CCCC2)CC1	751290448	LOLMDDAGGNGLSK-UHFFFAOYSA-N	321.421	1.409	50	20	DDGD	
CC(C)N1C[C@H](NC(=O)NNc2ccc(Cl)cn2)CC1=O	852190949	IOZXZHRDIFAARC-SNVBAGLBSA-N	311.773	1.370	50	20	DDGD	
O=C(NN=Cc1cc(F)ccc1OC(F)F)C(=O)NC1CC1	853282844	SYHWULYNPCDQCV-UHFFFAOYSA-N	315.251	1.156	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ccc([N+](=O)[O-])c(O)c2)n1	753463765	HEEQIMWOTJPFCJ-UHFFFAOYSA-N	324.684	1.083	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CC(C)(F)F)cc1OC	757781353	RPJIGRQNTLADQG-UHFFFAOYSA-N	302.277	1.510	50	20	DDGD	
COC(=O)c1oc(C=NNC(=O)Cn2nc(C)cc2C)cc1C	853277558	RKTAULDKGXBUAJ-UHFFFAOYSA-N	318.333	1.338	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)[nH]1	856757792	NQJBZEAZHLIZNC-VIFPVBQESA-N	320.324	1.394	50	20	DDGD	
O=C(NN=Cc1cnc([C@H]2CCCO2)s1)c1cnccn1	755630839	GDPAHLYYMAVWFV-LLVKDONJSA-N	303.347	1.549	50	20	DDGD	
COc1cccc(C(=O)NNC(=S)NCC2CCC2)c1C	855092741	AKHVGJVXWFLAQX-UHFFFAOYSA-N	307.419	1.913	50	20	DDGD	
O=C(Cc1ccc2c[nH]nc2c1)NNC(=O)OCC(F)(F)F	856020732	ROQMDVBIUBFGHJ-UHFFFAOYSA-N	316.239	1.425	50	20	DDGD	
Cn1c(NNC(=O)c2cnn(C3CC3)c2)nc2ccccc2c1=O	859371939	YYSVGEKXIMQDRK-UHFFFAOYSA-N	324.344	1.222	50	20	DDGD	
COC(=O)c1cnc(NC[C@@]2(C)C[C@@H]2Br)nc1	856786585	HKTPPLXFEBWPBI-GZMMTYOYSA-N	300.156	1.849	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)NC1CCCC1)c1ccc(F)cc1	858853551	OGHWBOUMMTVIAJ-CYBMUJFWSA-N	309.341	1.786	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2cc[nH]n2)n2c1CCCC2	857210846	FNBRNHUARHAFBM-UHFFFAOYSA-N	315.333	1.098	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C)[C@H]1CCCO1	853374167	BVUDPKJLZSPSIX-MGPQQGTHSA-N	320.393	1.559	50	20	DDGD	
C#CCCCC(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1	759183133	PXFNCFXVFOXDJH-UHFFFAOYSA-N	322.748	1.448	50	20	DDGD	
CC(=NNC(=O)c1cn[nH]c1)c1ccc2c(c1)CCC(=O)N2C	863154917	PWQJUVBWVCWOFB-UHFFFAOYSA-N	311.345	1.473	50	20	DDGD	
COC[C@@](C)(O)C(=O)NNc1nc2ccccc2[nH]c1=S	862293762	PECHCUJZJLRBDS-CYBMUJFWSA-N	308.363	1.133	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1CCC(=O)[C@H](C)C1	764201422	RYBWXXOZWOQQOD-GHMZBOCLSA-N	304.346	1.462	50	20	DDGD	
Cc1nnc(NNC(=O)CC(C2CCC2)C2CCC2)nc1O	863855227	SDVSFXHAVZGDOJ-UHFFFAOYSA-N	305.382	1.935	50	20	DDGD	
OB(O)c1ccc(CNc2ccc(F)cc2OC(F)F)cc1	864031413	YUDICNKJWMIZFI-UHFFFAOYSA-N	311.068	1.719	50	20	DDGD	
C[C@H](c1ccccc1F)[C@H](O)C(=O)NNC(=O)c1cccn1C	864594119	NYDZKXWFOSBONF-YGRLFVJLSA-N	319.336	1.090	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cnc3ccccn23)n1	764373510	SEXKVPKVPJDUPD-UHFFFAOYSA-N	302.725	1.843	50	20	DDGD	
CC(=O)Nc1ccccc1CC(=O)NNC(=O)c1cccnc1	767403174	HUEBKDDMAXRNNV-UHFFFAOYSA-N	312.329	1.044	50	20	DDGD	
CCNC(=O)N(C)N=Cc1cc(OC)c(OC)cc1[N+](=O)[O-]	769591098	DTTMJJFXXPJJAT-UHFFFAOYSA-N	310.310	1.607	50	20	DDGD	
C[C@H]1CN(C[C@@H](C)C(=O)NN=Cc2cncs2)C[C@@H](C)O1	767762161	FVMJVTGOJHRBSF-UTUOFQBUSA-N	310.423	1.339	50	20	DDGD	
CN1CCN(C)[C@@H](CNC(=O)[C@H](Br)C(C)(C)C)C1	768084046	ILUHVXYDIOAMDA-QWRGUYRKSA-N	320.275	1.158	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CSc2ccccc2O)ncn1	765247375	FBPIFZNLDLKQEC-UHFFFAOYSA-N	318.358	1.044	50	20	DDGD	
COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NCC(Cl)Cl	867470601	RAKCAYGWNAPNGE-SFYZADRCSA-N	318.222	1.441	50	20	DDGD	
CCn1ncc(C(=O)NNc2cccc(C(=O)OC)c2)c1C	867293100	WTLXQUYZTVXTNA-UHFFFAOYSA-N	302.334	1.755	50	20	DDGD	
Cc1oc2ncnc(O)c2c1C(=O)NNc1nc2ccccc2[nH]1	768492625	SDGMANSUTVCLJP-UHFFFAOYSA-N	324.300	1.870	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(C#N)c2)CCO1	769715789	XYUYMTRPLHEBNC-GXFFZTMASA-N	302.334	1.070	50	20	DDGD	
CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NNc1c(F)cccc1F	766277714	FDXCTGAQWLKTGU-KWQFWETISA-N	312.320	1.506	50	20	DDGD	
N#CCCCOc1cccc(C=NNC(=O)[C@H]2CCC(=O)N2)c1	863148986	OCIQWDRLWNFNSK-CQSZACIVSA-N	314.345	1.098	50	20	DDGD	
CCC(=NNC(=O)CNC(=O)c1cccnc1)c1cccs1	763195472	LTNCCNUPJYXHTO-UHFFFAOYSA-N	316.386	1.803	50	20	DDGD	
O=C(Nc1ccc(NCc2ccccc2B(O)O)cc1)C1CC1	864019370	CVVJOCRVFYVUSE-UHFFFAOYSA-N	310.162	1.327	50	20	DDGD	
CC(C)(C(=O)NNC(=O)C1(O)CCSCC1)c1ccccc1	765018079	PNHXGLUKLPMRQF-UHFFFAOYSA-N	322.430	1.370	50	20	DDGD	
C[C@H](NNC(=O)[C@]1(C)Oc2ccccc2NC1=O)C(F)(F)F	869377432	YSSNBUYRRAKYLZ-JVXZTZIISA-N	317.267	1.348	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NN=C2CCN(C)C2=O)c1C	761765060	CLAJUHKOYNVHOR-LBPRGKRZSA-N	303.362	1.405	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1	875146150	RSNVOVZXYYHHNM-IJLUTSLNSA-N	300.403	1.265	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H]1CCCN(c2ccccc2)C1	875544546	WRDCCCWMJTWWAB-ZDUSSCGKSA-N	320.393	1.815	50	20	DDGD	
Cn1cc(C=NNC(=O)[C@H]2CCC(=O)N2)c2ccc(Cl)cc21	872392672	UIZJHUMWIBJHOL-GFCCVEGCSA-N	318.764	1.560	50	20	DDGD	
CNc1ccc(Cl)c(C(=O)NNC(=S)NC(C)C)c1	1118799134	MCDFRLWOBHXDTH-UHFFFAOYSA-N	300.815	1.899	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc2ccccc2c1O	872399581	FLPWZVNPBMYQKV-UHFFFAOYSA-N	302.330	1.659	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCN1CCc2sccc2C1	875140321	KMKLTNYUGGBHPF-UHFFFAOYSA-N	312.395	1.019	50	20	DDGD	
CCO[C@H](C)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	772965729	FNWYLPAOMUDGEM-NXEZZACHSA-N	314.769	1.680	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc2cc[nH]c12	772162990	WZIRJNWLBXJUPO-SECBINFHSA-N	303.318	1.271	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1ccc(F)cn1	770592280	RXRCCUJDLGQCKZ-LLVKDONJSA-N	308.357	1.029	50	20	DDGD	
CSc1ccccc1CC(=O)NNc1ccnc(N(C)C)n1	777524364	UHNKGVLBHDOVEV-UHFFFAOYSA-N	317.418	1.950	50	20	DDGD	
O=C(CC1CCN(CC(F)(F)F)CC1)NNC(=O)C1CCC1	874455766	OKGQFLAFTURWLN-UHFFFAOYSA-N	321.343	1.598	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc[nH]1	875421985	IMYGPXROLSCEHD-RRFJBIMHSA-N	316.405	1.786	50	20	DDGD	
CC(C)NC(=O)N1CCC[C@H]1C(=O)NNc1ccc(F)cn1	874649828	JCTBKLAYDOJXPC-NSHDSACASA-N	309.345	1.246	50	20	DDGD	
CCCC(=O)N1CCC[C@@H](C(=O)NNc2ccc(F)cn2)C1	874651819	VANXTYLKQAFLBU-LLVKDONJSA-N	308.357	1.703	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)Cc2ccccc2F)[C@@H]1C	1118877311	DLXOQUHSEKHVKE-JNIYBQFBSA-N	308.353	1.575	50	20	DDGD	
C[C@H](CBr)COC(=O)c1ccc(C(N)=O)cn1	770360308	SCIGRZOFQIIOLT-SSDOTTSWSA-N	301.140	1.368	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cncn1-c1ccccc1)C(C)(F)F	1117742240	NKEDKTJNWGSGMX-SNVBAGLBSA-N	322.315	1.925	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CNC1(c2cccc(F)c2)CC1	775454802	NEVLBRRWDLTIEO-UHFFFAOYSA-N	307.369	1.598	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc2cc[nH]c12	772162993	WZIRJNWLBXJUPO-VIFPVBQESA-N	303.318	1.271	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1ccc(OC(C)C)cc1	779823046	JAIQOVHOKHILTK-UHFFFAOYSA-N	307.350	1.670	50	20	DDGD	
COC(=O)CNC(=O)NN=C(Cc1ccc(F)cc1)C(C)C	779822904	ITWSPPHLEWKJRT-UHFFFAOYSA-N	309.341	1.852	50	20	DDGD	
CN(C)[C@H]1CCC[C@@H](NC(=O)NNc2ccc(C#N)cn2)C1	888488147	ZXHGXWBXPMBEDP-OLZOCXBDSA-N	302.382	1.452	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCCC(F)F)cc1	1123824180	QYZDJVLRSDPXDY-UHFFFAOYSA-N	301.293	1.683	50	20	DDGD	
CC(C)n1cc(NC(=O)NNc2cc(Cl)nc(N)n2)cn1	789128454	GJCCPPDJXISCDO-UHFFFAOYSA-N	310.749	1.638	50	20	DDGD	
CCC[C@H](CNS(=O)(=O)CBr)C(=O)OCC	788711174	UMIYHZWJJIZXJS-MRVPVSSYSA-N	316.217	1.238	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@@H]1CCCN1CC(C)C	1120619111	SXYQKIYXVPWPCT-INIZCTEOSA-N	317.433	1.805	50	20	DDGD	
O=C(COc1ccc2c(c1)CCC2)NNC(=O)C1CCOCC1	883059110	MBBXZFXOXNANLX-UHFFFAOYSA-N	318.373	1.128	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)c1coc(C)n1	789004744	ISPAFGHIOYSLHC-UHFFFAOYSA-N	306.347	1.315	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCCc2c(O)cccc21	789754773	UDALROYLNPCIPK-LBPRGKRZSA-N	314.345	1.305	50	20	DDGD	
COCCOc1cc(C(=O)NNc2ncncc2Cl)ccn1	781831392	HFNXYDQLFZDJMN-UHFFFAOYSA-N	323.740	1.307	50	20	DDGD	
N#CCCNC(=O)NNC(=O)c1c(Cl)cccc1Cl	787358911	QWSVGOMCGVRVEL-UHFFFAOYSA-N	301.133	1.851	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@H]2CCN(Cc3ccccc3)C2=O)c1	896298180	OCIOGWPHPIFCLA-OAHLLOKOSA-N	324.384	1.882	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)NCc2ccc(Cl)cc2)CO1	784150430	QJURMRUVDZNFBE-GXSJLCMTSA-N	311.769	1.595	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2	781361219	VMLHCFOKMAOWOP-UHFFFAOYSA-N	320.236	1.615	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ccn(Cc2ccccn2)n1	782573990	YLZLZUWXAOLPNR-UHFFFAOYSA-N	314.349	1.279	50	20	DDGD	
Cn1nc(Br)cc1C=NNC(=O)c1ccccc1O	782120761	ZVTBNLMTDXMNQZ-UHFFFAOYSA-N	323.150	1.652	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1cnn(CC2CCC2)c1	899338391	PDQCMLACWJBQPB-OVCLIPMQSA-N	302.378	1.743	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNC(=S)NC(C)(C)C	899998190	HOEKJYNJBHAZQZ-IUCAKERBSA-N	318.443	1.051	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N[C@H](CO)CC2CCC2)c1	792901705	WRNFVRINTZMEQE-AWEZNQCLSA-N	316.361	1.053	50	20	DDGD	
COc1ccn2c(C(=O)NNC(=S)NC(C)(C)C)cnc2c1	899997925	AVSSVUAHRRZSAK-UHFFFAOYSA-N	321.406	1.250	50	20	DDGD	
Cc1oc(S(N)(=O)=O)cc1C(=O)NNc1ccc(F)cc1	798317122	ACKIRYGJDUJVMO-UHFFFAOYSA-N	313.310	1.131	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1ccn(C(C)C)n1	797125861	ISVJDBQXMRUXBN-UHFFFAOYSA-N	302.338	1.249	50	20	DDGD	
CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NCCSSC	790877942	FADGLERNNIFTOY-SECBINFHSA-N	314.498	1.462	50	20	DDGD	
N#C/C(=C\c1cnn(-c2ccc(Cl)cc2)c1)S(N)(=O)=O	798232437	VAZWUHANQAQBRD-LFYBBSHMSA-N	308.750	1.679	50	20	DDGD	
C=CCNC(=S)NNC(=O)C(C)(C)c1ccccc1OC	798304725	JHUPYNDRUJKRIP-UHFFFAOYSA-N	307.419	1.654	50	20	DDGD	
CC(COC(C)C)=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1	799873575	TVLIKJXAXDUAEC-YUELXQCFSA-N	313.442	1.649	50	20	DDGD	
NC(=O)c1ccccc1CCC(=O)NNc1ccnc(F)c1	792305501	CASHAFBVVGIIPO-UHFFFAOYSA-N	302.309	1.396	50	20	DDGD	
C=C(CBr)COC(=O)c1cnn2c1OCCC2	795711682	WDIKHMAAUFNIDZ-UHFFFAOYSA-N	301.140	1.774	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1ccc(F)c(F)c1	792378446	SWULCQJVGALLSW-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2ccc3n[nH]cc3c2)cc1	1321029982	JZDQDLJFDJJACH-UHFFFAOYSA-N	324.340	1.575	50	20	DDGD	
CCc1nc2ccc(NC(=O)NNC(=O)CCO)cc2s1	1329286195	CUIJONXQTLNNQX-UHFFFAOYSA-N	308.363	1.394	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C[C@@H]1CCO[C@H](C(C)C)C1	1325121737	SKITWTSRWGVERV-NEPJUHHUSA-N	301.456	1.731	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)NNc1ccn(C)n1	1325428792	UKGIIFOVGUGIDP-NXEZZACHSA-N	311.386	1.413	50	20	DDGD	
CCn1c(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc2ccccc21	1328550124	AVTDOENOZJJMRY-WCQYABFASA-N	315.373	1.847	50	20	DDGD	
COCCCOCC(=O)NNC(=O)c1ccccc1Cl	1324905025	RXWNFCOSWCGDDB-UHFFFAOYSA-N	300.742	1.154	50	20	DDGD	
O=C(CO[C@@H]1CCOC1)NNc1cccc(Br)c1	1253412015	VETDMADOJLLWNZ-LLVKDONJSA-N	315.167	1.698	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)[C@@H]2CC(c3cnn(C)c3)=NO2)c1	1335832731	QYAQDBIYRNXXAA-HNNXBMFYSA-N	313.361	1.673	50	20	DDGD	
Cc1nn(CCO)c(C)c1CNC[C@]1(C)C[C@H]1Br	1331336323	AXQHRLFXEJDRFV-OLZOCXBDSA-N	316.243	1.755	50	20	DDGD	
CSSCCNC(=O)NCCC(=O)N1CCC[C@H](C)C1	1339750727	MJZIVWFCNRLDTO-NSHDSACASA-N	319.496	1.945	50	20	DDGD	
CC(C)c1nnsc1C(=O)NNC(=O)NCC(F)(F)F	1338994885	CSKHSIJJFPURII-UHFFFAOYSA-N	311.289	1.168	50	20	DDGD	
Cc1cccnc1[C@H](C)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	1342126165	VOCODFAQEOKRSB-QJPTWQEYSA-N	306.366	1.206	50	20	DDGD	
COC[C@@H](NC(=O)NN=c1cc[nH]c(C)c1)c1ccc(F)cc1	1349233103	BKNHJLATVSYXNG-OAHLLOKOSA-N	318.352	1.965	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc(OC(C)(C)C)cn1	1347600155	IBCPGSXQWKQRKZ-UHFFFAOYSA-N	310.423	1.776	50	20	DDGD	
O=C(NNc1cccnn1)C(=O)Nc1cccc2cccnc12	1343340020	FVJHTAAHFPGZPF-UHFFFAOYSA-N	308.301	1.107	50	20	DDGD	
Cn1nc(NC(=O)NNc2cccc(Cl)c2)cc1C(=O)O	1601015010	RNWBSZDBMUAWPN-UHFFFAOYSA-N	309.713	1.920	50	20	DDGD	
O=C(NN=Cc1nc(-c2nn[nH]n2)cs1)NC1CCCCC1	1606849139	BVFABXNXAOIPDZ-UHFFFAOYSA-N	320.382	1.289	50	20	DDGD	
Cc1ccc(C(=O)C(=O)NNc2ccc(CC(=O)O)cc2)cc1	1600327934	JGZSDSRJBDGXKC-UHFFFAOYSA-N	312.325	1.948	50	20	DDGD	
N#C[C@@]1(C(=O)NNc2ccc(C(=O)O)cc2F)CCCOC1	1601051041	ZOLIERUTFYLXOO-AWEZNQCLSA-N	307.281	1.287	50	20	DDGD	
C[C@@H](CBr)COC(=O)c1ccc(C(=O)O)n1C	1609725703	NEXVBJVPXFGZGO-ZETCQYMHSA-N	304.140	1.911	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2nc3c(s2)CCC3)nc1	1602384898	ZWRNTONEMSZBKW-UHFFFAOYSA-N	304.331	1.482	50	20	DDGD	
Cc1nnc([C@H](C)NC(=O)NNc2cccc(C(=O)O)c2)s1	1600792178	LCQICMPESLFSEO-ZETCQYMHSA-N	321.362	1.932	50	20	DDGD	
NC(=O)c1cc(NC(=O)NNc2cccc(C(=O)O)c2)cs1	1601162060	ZWXODDHBXLQFQZ-UHFFFAOYSA-N	320.330	1.694	50	20	DDGD	
O=C(NN=Cc1c[nH]c2ccccc12)[C@H]1CN2CCC[C@@H]2CO1	1549314792	KJXIMSPATKTGIM-CZUORRHYSA-N	312.373	1.481	50	20	DDGD	
O=C(COc1ccccc1F)NN=C1CCC[C@@H](C(=O)O)C1	1610671310	NRPMLOIGNFSKTL-SNVBAGLBSA-N	308.309	1.952	50	20	DDGD	
CC(C)(C)[C@H](N)CC(=O)NNC(=O)Cc1c[nH]c2ccccc12	1575112653	HOOUNQGAPBAZTI-CQSZACIVSA-N	316.405	1.621	50	20	DDGD	
CNCCCCC(=O)NNC(=O)c1cccc(OC(F)F)c1	1578683768	SDXXCWKTDHYRFY-UHFFFAOYSA-N	315.320	1.439	50	20	DDGD	
N[C@@H]1CC[C@H](CC(=O)NNc2cncc(Br)c2)C1	1580387446	GLEYEOGEYDKWDW-WCBMZHEXSA-N	313.199	1.805	50	20	DDGD	
C=C(CCC(=O)O)C(=O)NNC(=O)c1cccc2cccnc12	1588630614	UAHHUXHFEROUKB-UHFFFAOYSA-N	313.313	1.417	50	20	DDGD	
O=C(Cc1ccccc1[N+](=O)[O-])NNc1ncccc1C(=O)O	1594711515	YPELFDMKUCITBE-UHFFFAOYSA-N	316.273	1.374	50	20	DDGD	
C[C@H](CC(=O)O)C(=O)NNc1nnc(-c2ccccn2)s1	1592360430	YLYUYNZVWXGZPC-SSDOTTSWSA-N	307.335	1.154	50	20	DDGD	
COc1cc(NC(=O)NNc2ccc(F)c(C(=O)O)c2)[nH]n1	1599439578	HZSLHQRGOOOMDZ-UHFFFAOYSA-N	309.257	1.404	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CC=C(C(=O)O)C2)c1	1598999526	KLYVAPFTVKUUAD-LLVKDONJSA-N	319.317	1.273	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccc(C(=O)O)o2)c1	1599000023	XXBVNOYAJNNNKQ-UHFFFAOYSA-N	304.258	1.521	50	20	DDGD	
C[C@H]1CCNC[C@@H]1NC(=O)NNc1cccc(C(=O)O)c1F	1594437223	ADHZCUTVUFXELB-KWQFWETISA-N	310.329	1.148	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1C[C@@H](C(=O)O)[C@H](c2ccccc2)C1	1591764845	DDHDFHBYVTWVJV-TZLBIFBXSA-N	314.341	1.757	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@@H](C(=O)O)c1ccc(C)cc1	1596864150	QCYNQHVMKDMDHZ-QLKUMGTLSA-N	302.330	1.723	50	20	DDGD	
Cc1nnc(C=NNC(=O)Nc2ccc(C(=O)O)cc2)s1	1776045918	SDGBKYYMWMXJPK-UHFFFAOYSA-N	305.319	1.700	50	20	DDGD	
O=C(O)c1cc(F)c(C=NNC(=O)c2ccc(CO)o2)c(F)c1	1776097310	YMGQGBVZLHSIGM-UHFFFAOYSA-N	324.239	1.512	50	20	DDGD	
CC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Cl)C2	1795527402	RRPPNVCPHNTCAX-NOHGZBONSA-N	318.776	1.528	50	20	DDGD	
Cc1nnc(NNC(=O)c2oc3ccc(F)cc3c2C)nc1O	11548220	DPPGLPIEBAYQCI-UHFFFAOYSA-N	317.280	1.836	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2oc1=O)c1ccccc1O	12022301	NWXCBVFDQSJWIC-UHFFFAOYSA-N	324.292	1.573	50	20	DDGD	
CC(C)[C@H](Cc1ccccc1)C(=O)NNC(=O)c1cnn(C)c1	152476167	QEMCWXPTSCZGFJ-HNNXBMFYSA-N	314.389	1.696	50	20	DDGD	
C[S@@](=O)c1ccc(C(=O)NNc2ncccc2[N+](=O)[O-])cc1	153364502	FXKBAVDYIQKHQH-QFIPXVFZSA-N	320.330	1.484	50	20	DDGD	
C[S@](=O)c1ccc(C(=O)NNc2ncccc2[N+](=O)[O-])cc1	153364610	FXKBAVDYIQKHQH-JOCHJYFZSA-N	320.330	1.484	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CNC(=O)c2ccccc2)c1	156017683	BZOVEMZACGWSDG-UHFFFAOYSA-N	317.320	1.707	50	20	DDGD	
CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(S(=O)(=O)CC(C)(C)CCl)[C@H]31	867260482	YBCPJEZBOVCACK-JZRPKSSGSA-N	321.870	1.936	50	20	DDGD	
O=C(CCc1cc(F)ccc1F)NNC(=O)Cc1cccnc1	103423091	OQVWYTHRRFMTOS-UHFFFAOYSA-N	319.311	1.683	50	20	DDGD	
O=C(CCCOc1ccccc1Cl)NNC(=O)NC1CC1	50612168	ZGDZZBIAJOKUGY-UHFFFAOYSA-N	311.769	1.992	50	20	DDGD	
Cc1n[nH]c(SCC(=O)NNc2cc(F)c(F)c(F)c2)n1	178316032	KSYIKLCQXXAAGO-UHFFFAOYSA-N	317.296	1.766	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(Cl)cc1Cl)S(C)(=O)=O	178884971	ZKWQAYIMJDMBMR-LURJTMIESA-N	311.190	1.870	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCc2c(C)nn(C)c2C)n1	174481308	VMLSUHFHDFBEHZ-UHFFFAOYSA-N	318.381	1.220	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1ccc(-c2ccccc2)[nH]1	171768005	WABOJBVMBDAFIU-UHFFFAOYSA-N	314.345	1.368	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](CC(C)C)N2CCCCC2=O)ncn1	176571405	ZHGFCHFEOPQIBE-ZDUSSCGKSA-N	319.409	1.655	50	20	DDGD	
CCN(CC)C(=O)CCCC(=O)NNc1nccnc1Cl	114896807	ODOMQHLXQXNYIA-UHFFFAOYSA-N	313.789	1.612	50	20	DDGD	
N#Cc1ncn(CC(=O)NNc2ccccc2C(F)(F)F)n1	178372768	WCARXLBWWQWVPD-UHFFFAOYSA-N	310.239	1.312	50	20	DDGD	
C=CCOc1ccccc1C(=O)NNC(=O)Cc1ccncc1	175793813	FALUJCHFVLALDF-UHFFFAOYSA-N	311.341	1.650	50	20	DDGD	
CSCCNC(=S)NNC(=O)CCc1ccc(C#N)cc1	179546528	JJYORYDRMBXYTL-UHFFFAOYSA-N	322.459	1.349	50	20	DDGD	
O=C(NNc1cnccn1)[C@@H]1CCCN(CC(F)(F)F)C1	172263929	GOBQDQHQIHWSQQ-SECBINFHSA-N	303.288	1.194	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@H](C)OCC1CC1	64739483	BGPGLAHQVOBLFY-NSHDSACASA-N	306.362	1.200	50	20	DDGD	
CC(C)Nc1ncccc1C(=O)NNC(=O)NCc1ccco1	174296764	GHEIFJPAGXJUAM-UHFFFAOYSA-N	317.349	1.639	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNC(=O)[C@H](CC)c1ccccc1	171939858	KWGHIMXAJDXCTO-YPDDLIOESA-N	301.346	1.772	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C	67236826	MGZAVRIQPAZSCS-JTQLQIEISA-N	314.386	1.126	50	20	DDGD	
Cc1ccc(-n2cc(C(=O)NNc3cc(C)ncn3)nn2)cc1	172278446	RHCJLJWGZFSNEX-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
Cc1ccc([C@@H](CNC(=O)NNc2ncccn2)N(C)C)cc1	67705264	PXKFJKXKCHRUGW-CQSZACIVSA-N	314.393	1.714	50	20	DDGD	
N#C/C(=C\c1cc(F)c(O)c(F)c1)C(=O)NC[C@H]1CCCO1	175317858	CEBMGMPDNYSIEI-LLMHMKPQSA-N	308.284	1.873	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NNC(=O)CC(C)C)[nH]n1	126954052	UTKWZUVLIXWYON-UHFFFAOYSA-N	316.361	1.892	50	20	DDGD	
CC1(C)C[C@H](NCC(=O)NNC(=O)c2ccccc2)C(C)(C)O1	189228267	QKUBTILCUYVRFG-ZDUSSCGKSA-N	319.405	1.383	50	20	DDGD	
Cc1ccc(NNC(=O)NCC[C@@](C)(O)c2ccccc2)nn1	188813752	ARMVFJKFSKTHDB-MRXNPFEDSA-N	315.377	1.709	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)CC[C@H]1CCCO1	73521490	RXSBBFFDPGKSMC-GFCCVEGCSA-N	316.361	1.363	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)C[C@@H](C)c1ccccc1	77163941	YUVDXKKKBOQMFW-GFCCVEGCSA-N	319.405	1.632	50	20	DDGD	
CC(C)n1cc2cc(NC(=O)NNC(=O)CCO)ccc2n1	125107665	KVVTUVRKKQMXRD-UHFFFAOYSA-N	305.338	1.152	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccc(F)cn2)c(O)c1	122522519	BLHZYCNQEOJQCZ-UHFFFAOYSA-N	304.281	1.701	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc([N+](=O)[O-])c2cccnc12	127999405	CFQPCSJZSFMLJV-UHFFFAOYSA-N	317.305	1.497	50	20	DDGD	
CO[C@H](C)CCC(=O)NNC(=O)c1cccc2ncccc12	183434318	VFEOSCUBTGYJFT-LLVKDONJSA-N	301.346	1.811	50	20	DDGD	
COC1(C(=O)NNc2nc(-c3ccncc3)no2)CCCCC1	184786414	LRGJUALHLQAAOC-UHFFFAOYSA-N	317.349	1.924	50	20	DDGD	
COc1cccc(NNC(=O)CCCCN2CCOCC2)n1	183032278	KBDLYVXZWCBGPT-UHFFFAOYSA-N	308.382	1.036	50	20	DDGD	
CC(C)COc1ncc(C(=O)NNC(=O)N(C)C)cc1Cl	182044589	CSOZTGDVCFYMPV-UHFFFAOYSA-N	314.773	1.686	50	20	DDGD	
COCCCNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	42901510	HBBIPCGMENHOTM-UHFFFAOYSA-N	309.410	1.570	50	20	DDGD	
O=C(NCCCn1cccn1)NNC(=O)c1ccc(Cl)cc1	45715377	CPSNWXBEKOBJCV-UHFFFAOYSA-N	321.768	1.571	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)COc2ccc(F)cc2)n[nH]1	44955542	SVSVMWSZJUXSPD-UHFFFAOYSA-N	320.324	1.512	50	20	DDGD	
CN1CCC[C@@H]1CNC(=O)NNC(=O)c1cc2c(s1)CCC2	139322046	GWNKONHELUXZHP-LLVKDONJSA-N	322.434	1.275	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)COc2ccc(Cl)cc2)no1	194473370	YWDWWRCABLYFRU-UHFFFAOYSA-N	324.724	1.868	50	20	DDGD	
COCCOCC(=O)NNc1ccccc1OC(F)(F)F	190156592	AXRYZIXFTCRBSJ-UHFFFAOYSA-N	308.256	1.691	50	20	DDGD	
COc1cc(C(=O)NNc2cc(Cl)nc(N)n2)ccc1F	134104423	VRVAKTXLQLYWBE-UHFFFAOYSA-N	311.704	1.617	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)NC1CCOCC1	80085899	LTYALVKEBLQDPX-UHFFFAOYSA-N	302.334	1.291	50	20	DDGD	
COCCNC(=O)NNC(=O)c1cccc(Br)c1	49143970	JOTBLKRPQZEZNQ-UHFFFAOYSA-N	316.155	1.040	50	20	DDGD	
CCN(Cc1ccc(C(=O)NNC(=O)N(C)C)cc1)C(C)C	194608660	OLHMGQAKWSNECA-UHFFFAOYSA-N	306.410	1.833	50	20	DDGD	
CC[C@H]1CCC[C@@H]1NC(=O)NNc1nc(O)c2cnn(C)c2n1	269301386	UOCCJKQVGIBRKH-WPRPVWTQSA-N	319.369	1.274	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CCC[C@@H](N(C)C)C1	267372812	KGYCIPSTAHYSBM-ZIAGYGMSSA-N	318.421	1.812	50	20	DDGD	
CC(C)CC(C)(C)C(=O)NNC(=O)COc1ccccc1O	267769029	GNBZUTGEUZZKOQ-UHFFFAOYSA-N	308.378	1.991	50	20	DDGD	
COC(=O)N[C@@H](C(=O)NNC(=O)c1ccc(C)s1)C(C)C	264455448	IZPRLEHYDJDTKT-SNVBAGLBSA-N	313.379	1.198	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)nc21	269321243	RYFNKQJJBXNOJV-GUBZILKMSA-N	316.365	1.338	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCCOCC(C)C)n1	266971005	OYLAZNWSDGATKS-UHFFFAOYSA-N	311.386	1.482	50	20	DDGD	
CCN1CCOC[C@@H]1C(=O)NNc1ccc(C(F)(F)F)cc1	362233095	DTQXFTKYYZOKKE-GFCCVEGCSA-N	317.311	1.869	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)CC(C)(C)OC	278282665	PYUFLJLXRHGCST-UHFFFAOYSA-N	324.377	1.427	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H]1CCCN1C1CC1)c1ccccc1	279133298	YKSIWBHLSWHFSB-CVEARBPZSA-N	315.417	1.954	50	20	DDGD	
CSCCONC(=O)NNC(=O)c1cccc(Cl)c1	279733429	WGFWASLEANBFBM-UHFFFAOYSA-N	303.771	1.579	50	20	DDGD	
COCC1(C(=O)NNc2ccccc2[N+](=O)[O-])CCNCC1	279848826	IFVKTMHLLPLDCY-UHFFFAOYSA-N	308.338	1.054	50	20	DDGD	
O=C(CNCC(F)(F)F)NNc1cccc(F)c1[N+](=O)[O-]	279377544	QKSSAILCCIHFPB-UHFFFAOYSA-N	310.207	1.329	50	20	DDGD	
CSCC(C)(C)C(=O)NNC(=O)COc1cccc(C)c1	281981784	HRLWTCQYVHBNRE-UHFFFAOYSA-N	310.419	1.910	50	20	DDGD	
CSSCCNC(=O)NNC(=O)c1ccccc1O	287619911	BDBOENSLRZVYQM-UHFFFAOYSA-N	301.393	1.347	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNc1ccc(Cl)nn1)c1nncn1C	287075707	VFBKZENYMBJGOZ-SNVBAGLBSA-N	324.776	1.282	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)cn1	285532683	PXVXLUCBYQLIMT-MRVWCRGKSA-N	304.394	1.788	50	20	DDGD	
CC(=O)NNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1	284967048	FCRSYDOIPVAFKW-UHFFFAOYSA-N	304.325	1.081	50	20	DDGD	
Cc1sc(=O)n(CCC(=O)NNc2ncccc2F)c1C	285973656	MJBBNCQFRJWXIJ-UHFFFAOYSA-N	310.354	1.594	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNC(=O)Nc1ccccc1)C1CCCC1	283751297	KUUQMOGIQHXRGZ-CQSZACIVSA-N	318.377	1.534	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@@H]1CCCN(CC(F)(F)F)C1	286659999	VEQHAQKRMCVJJG-SECBINFHSA-N	320.290	1.938	50	20	DDGD	
COc1ccc(NNC(=O)C2CCN(CC(F)F)CC2)nc1	288927367	IKUWGTQJGHOLHT-UHFFFAOYSA-N	314.336	1.510	50	20	DDGD	
COc1cc(CC(=O)NNc2cc(C)nc(C)n2)ccc1O	295896224	QHDKOKVYIPLHKM-UHFFFAOYSA-N	302.334	1.493	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2cc(F)ncc2F)cc1	807947783	JAMWISHNNPHMKC-UHFFFAOYSA-N	321.283	1.898	50	20	DDGD	
NC(=O)N[C@H](CC(=O)NNc1cccc(F)n1)c1ccccc1	804767977	ZFVMMGZGJADRMA-LLVKDONJSA-N	317.324	1.464	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NN=Cc2cnccn2)cc1	807952678	JATGQGDBXIRVCD-GFCCVEGCSA-N	314.345	1.793	50	20	DDGD	
COc1nccc(NC(=O)NNc2cnc3ccccc3n2)n1	801723546	VCTMJZSSCNRDNH-UHFFFAOYSA-N	311.305	1.577	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)[C@@H]1CC1(Cl)Cl	298231124	ZLSNOFGQVKUKDT-VIFPVBQESA-N	321.135	1.546	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)CCN(CC)CC)[C@@H]1SC	807955881	IDHRJTHAQBMNEF-JSGCOSHPSA-N	301.456	1.731	50	20	DDGD	
COCC1(C(=O)NNc2cc(F)cc(OC)c2)CCOCC1	290607226	VXEMBEFZLUBQTO-UHFFFAOYSA-N	312.341	1.721	50	20	DDGD	
C[C@@H](CBr)COC(=O)C(=O)N1CCC[C@@H](C)C1	805562028	MHYWKXJYOFDLGQ-ZJUUUORDSA-N	306.200	1.819	50	20	DDGD	
O=C(NNc1cccc(F)n1)C(=O)Nc1ccccc1Cl	807392602	SIJBWABNAVNHNY-UHFFFAOYSA-N	308.700	1.956	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)Cn3cccn3)cc2C1	298078656	NGDSPTCNMZVZRB-JTQLQIEISA-N	318.402	1.531	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CCCNC(=O)c1ccc(F)cc1	299086745	LJYJMMNICKSWCE-UHFFFAOYSA-N	323.368	1.529	50	20	DDGD	
CN(NC(=O)c1c[nH]nc1-c1ccncc1)C(=O)OC(C)(C)C	297790892	VKHRDFMEUPPNHZ-UHFFFAOYSA-N	317.349	1.983	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H](C)[C@H]1OCCc2sccc21	292730058	MRUZKUWQKSZPMD-BXKDBHETSA-N	311.407	1.737	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H](CC)N2CCCC2=O)cc1	293798034	BKFZIGROWLIMHO-AWEZNQCLSA-N	305.378	1.929	50	20	DDGD	
CNc1nc(C)cc(C(=O)NNc2cc(F)cc(OC)c2)n1	807062621	IDKUGXORWDEMDJ-UHFFFAOYSA-N	305.313	1.731	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1cccc(C#N)n1	809941100	WDHLOIOHUGMLDR-UHFFFAOYSA-N	324.340	1.356	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cnn2c1CCC2	294492386	JEEQPHKQNWVLQO-UHFFFAOYSA-N	303.274	1.965	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ncoc1C1CC1	294584447	NSACEQSIXNCAPW-UHFFFAOYSA-N	300.409	1.024	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNC(=O)NC1CCCCC1	805156376	SABHIKBJIPBJQJ-UHFFFAOYSA-N	313.398	1.629	50	20	DDGD	
O=C(NNC(=O)[C@H](F)C(F)(F)F)c1cc2c(s1)CCC2	809982948	AMZQXCYRMMNCJV-QMMMGPOBSA-N	310.272	1.898	50	20	DDGD	
CCCN(NC(=O)[C@]1(O)CCSC1)C(=O)OC(C)(C)C	804594069	LZXVKBXRKIKESK-ZDUSSCGKSA-N	304.412	1.533	50	20	DDGD	
CC(=NNC(=O)C(=O)NC(C)C)c1cc2c(C)nn(C)c2s1	807960100	MFUOVZXDYNUUAA-UHFFFAOYSA-N	321.406	1.308	50	20	DDGD	
Cc1ccoc1CNC(=O)NNc1ccc(-n2ccnc2)nn1	814405063	STSPAYZVNPGECF-UHFFFAOYSA-N	313.321	1.390	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1cccc(O)c1Cl	814827040	RUWNBJVJBSVZNE-UHFFFAOYSA-N	321.720	1.519	50	20	DDGD	
Cc1c(C(=O)NNc2ccccc2F)nnn1-c1ccn(C)n1	815850975	LBXZRZKVDZWUQH-UHFFFAOYSA-N	315.312	1.205	50	20	DDGD	
CN(C)N(C(=O)C1(F)CCCCC1)[C@@H]1CCS(=O)(=O)C1	812836528	KOFBVJDLZPDORQ-LLVKDONJSA-N	306.403	1.151	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc2ccccc2c1O	814900847	KWPUQQSKTFVCOZ-UHFFFAOYSA-N	301.302	1.352	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc2c(c1)CCCC2=O	815506254	QXMRCOPDQFPEAP-UHFFFAOYSA-N	312.329	1.312	50	20	DDGD	
C[C@@H]1CCCC[C@H]1C(=O)NNC(=O)Cc1cn2ccccc2n1	819345904	PVKITOQCRBVSMF-TZMCWYRMSA-N	314.389	1.851	50	20	DDGD	
COC(=O)[C@@H]1[C@H]2CN(C(=O)[C@@H](Br)C(C)(C)C)C[C@H]21	816967387	IMEQONLWGIBKOE-XFWSIPNHSA-N	318.211	1.673	50	20	DDGD	
O=C(NN=Cc1cc(CO)ccc1O)c1ccc(O)c(O)c1	814920901	YLFALZQRLOENAZ-UHFFFAOYSA-N	302.286	1.060	50	20	DDGD	
C[C@H]1CCCC[C@H]1C(=O)NNc1nc(O)c2cnn(C)c2n1	819286163	MNAHCCFQJFDBNN-DTWKUNHWSA-N	304.354	1.338	50	20	DDGD	
N#Cc1cccc(NC(=O)C(=O)NNc2cccc(Cl)n2)c1	815728353	ZOKZZICEAMGGIE-UHFFFAOYSA-N	315.720	1.688	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNc1nnc(-c2ccccn2)s1	811390594	WQIDGICGMQNZAH-ZDUSSCGKSA-N	305.363	1.370	50	20	DDGD	
CC[C@@H](C)n1ncc2c(C(=O)NN(C)CCOC)cc(C)nc21	816562336	HZCDJXGCQYFUDF-GFCCVEGCSA-N	319.409	1.934	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)Cn1ccc2ccccc21)OC	811875936	HFZJZOGICNCPJG-CYBMUJFWSA-N	318.377	1.397	50	20	DDGD	
O=C(O)c1ccc2c(c1)CCCC2=NNC(=O)c1cnccn1	814793977	SXAZXOMHJTVBMT-UHFFFAOYSA-N	310.313	1.645	50	20	DDGD	
CC(=NNC(=O)C(=O)NC(C)C)c1cccc(CN(C)C)c1	814778161	TZHVMERIIBKBIY-UHFFFAOYSA-N	304.394	1.113	50	20	DDGD	
CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NN(C)C1CC1	819646494	AJONNPIHKDYASS-OAHLLOKOSA-N	303.406	1.639	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc(N3CCCC3)nc2)n1	727100239	KXGBHVQPKJQJDA-UHFFFAOYSA-N	312.377	1.846	50	20	DDGD	
COc1ccc(C=NNC(=O)COc2ccccc2O)cc1O	814952833	DPEPPKCNNSCLEG-UHFFFAOYSA-N	316.313	1.636	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2CC23CCSCC3)n1	826583909	AZIXUQLHPXBFHP-SNVBAGLBSA-N	308.407	1.770	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNc1cccc(C(=O)OC)c1)C(C)C	821797443	PNBKRRAXGDKVCI-ZDUSSCGKSA-N	322.361	1.752	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=S)Nc1ccc(F)cc1F	728798686	LVJCJZPFAAZBSY-UHFFFAOYSA-N	322.340	1.920	50	20	DDGD	
O=C(/C=C\c1cncc(O)c1)NNc1cccc(-c2nn[nH]n2)c1	826403663	YSLCFUHYTFXKGB-PLNGDYQASA-N	323.316	1.124	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCN2C(=O)CC[C@H]2C1	491104039	MSGKISZEBYXWFX-XXYUJHKVSA-N	311.341	1.132	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)/C=C\c2cncc(F)c2)n1	491998724	AGZIRBMPJRBADW-WAYWQWQTSA-N	300.293	1.399	50	20	DDGD	
CC(C)Cn1cc(C(=O)NNC(=O)NC(C)C)c(C(F)F)n1	822840589	KBRUUVJGHIHJJJ-UHFFFAOYSA-N	317.340	1.829	50	20	DDGD	
C#CCN1CCC(C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)CC1	490742762	YWURHKACJGNKJI-UHFFFAOYSA-N	320.324	1.522	50	20	DDGD	
CN(C)CCn1ccc(NC(=O)[C@@]2(C)C[C@@H]2Br)n1	820103018	PELRFQBGSIJHNI-CABZTGNLSA-N	315.215	1.557	50	20	DDGD	
O=C(NNC(=O)[C@@H](CN1CCCC1)c1ccccc1)NC1CC1	823768511	XICZNGFYVMQMJC-HNNXBMFYSA-N	316.405	1.359	50	20	DDGD	
COC(=O)NCCC(=O)NNc1ccc(-c2ccccc2)nn1	492929262	IBQBMMBQRHCPAK-UHFFFAOYSA-N	315.333	1.333	50	20	DDGD	
COCC[C@](C)(O)CNC(=O)/C(C#N)=C\c1ccc(O)cc1	491013900	VNMYIFFWJFDMLE-OVHOFWQVSA-N	304.346	1.203	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2ccc(C)nc2)cn1	729691753	AITSYESNHCMHFQ-UHFFFAOYSA-N	317.374	1.425	50	20	DDGD	
COc1ccccc1CC(C)(C)CNCc1ccc(B(O)O)o1	585028021	GYALZVDZTHQFEQ-UHFFFAOYSA-N	317.194	1.327	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C[C@H]1Br	906901785	YNCJCESMJKVIPQ-GMEUVTARSA-N	301.184	1.039	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCc2cnccn2)cc(C#N)n1C	490693629	JKNXUDXXFSYYLP-VGOFMYFVSA-N	320.356	1.261	50	20	DDGD	
Cc1ncc(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)cn1	826330267	MIWRONDKEMHAJL-UHFFFAOYSA-N	311.309	1.114	50	20	DDGD	
C[C@@H]1Oc2ccccc2[C@@H]1NCc1ccc(B(O)O)cc1F	585041725	UJKHYKWXFVFDNY-MGPLVRAMSA-N	301.126	1.117	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1	496580041	BDMLRRHUZYHPMD-DTORHVGOSA-N	301.343	1.067	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cccc(-c2cnco2)c1	823803949	IHARGMOMPCNLCB-UHFFFAOYSA-N	300.318	1.696	50	20	DDGD	
C/C(Cl)=C\C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	908323113	OLYBNGXGYVYTFP-CMDGGOBGSA-N	317.798	1.523	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](N2CCCCC2)C1	732202123	VCBVFMYZPLUJLS-HUUCEWRRSA-N	324.469	1.129	50	20	DDGD	
CCCNC(=O)NNC(=O)c1c(C)nc(C2CC2)nc1S	822800367	VTGXHDVCUCFQFQ-UHFFFAOYSA-N	309.395	1.305	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@H]1C[C@@H]1c1c(F)cccc1F	734867629	RURMGXWFZKLOPQ-CABZTGNLSA-N	309.316	1.951	50	20	DDGD	
CCOC(=O)[C@@H](C)NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	733139849	XERQRXMGUXPAJX-KUKWCLJQSA-N	314.345	1.180	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc2oc(C)c(C)c2c1	495536358	DHHFHAYKWMEBIT-UHFFFAOYSA-N	319.317	1.765	50	20	DDGD	
O=C(CCc1cccc(OC(F)F)c1)N1CC[C@H](B(O)O)C1	585065230	WCKDWMZCSKWRMZ-NSHDSACASA-N	313.109	1.296	50	20	DDGD	
Cc1cccnc1NNC(=O)CNC(=O)OCc1ccccc1	497267108	BKEILWHBVRHEMM-UHFFFAOYSA-N	314.345	1.760	50	20	DDGD	
COc1cc(CCNC(=O)NNC(=O)CC(C)C)ccc1O	734213544	CMOBQYMXEOYAMH-UHFFFAOYSA-N	309.366	1.320	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1c(C)nn(C(C)C)c1C	734419369	PNVAHIWNWSODLE-SECBINFHSA-N	316.427	1.436	50	20	DDGD	
CC(=NNC(=O)c1nnc(O)c2ccccc12)c1cnccn1	734746247	GGHMNLROMWJFJY-UHFFFAOYSA-N	308.301	1.279	50	20	DDGD	
CON1CCC(NC(=O)/C(C#N)=C/c2ccc(O)cc2)CC1	491044163	BMDGJWIDVFOELN-JLHYYAGUSA-N	301.346	1.441	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(-n2ccnc2SC)cc1	495761004	IZTYKNDXZRFOPB-UHFFFAOYSA-N	320.374	1.937	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H](C)CS(C)(=O)=O)c(Cl)c1	836937729	KIGYATCEGDWDNB-VIFPVBQESA-N	304.799	1.772	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc2cccc(F)c2o1	833246851	SSFNYTWWKHHQBZ-LLVKDONJSA-N	306.293	1.902	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)CNc1ccc(OC)cc1	834921740	YVMNOCPUUBYIIA-UHFFFAOYSA-N	316.365	1.177	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)c1ccn(C2CCCCC2)n1	584912353	DWMDREVERWSLSR-UHFFFAOYSA-N	313.166	1.320	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1cccnc1)c1cccc(Cl)c1	732257281	IUDILDLSGFIGAI-LBPRGKRZSA-N	305.721	1.230	50	20	DDGD	
CCOCCOC1CN(C(=O)[C@]2(C)C[C@@H]2Br)C1	907235476	HESNOKYXCSJKFK-CMPLNLGQSA-N	306.200	1.424	50	20	DDGD	
CC(C)C(=O)NCCCNC(=O)[C@@]1(C)C[C@@H]1Br	907133821	NIRYXKSZGOAGOQ-CABZTGNLSA-N	305.216	1.438	50	20	DDGD	
CO[C@H](c1ccc(F)cc1)[C@H](C)NCc1cccc(B(O)O)c1	585035740	XLLMBAWNGFTVMJ-SJCJKPOMSA-N	317.169	1.371	50	20	DDGD	
CC[C@@H](C)n1nc(C(=O)NNC(=O)[C@H]2CCCCO2)cc1C	833243779	XJZNGLKQMYFJLR-ZWNOBZJWSA-N	308.382	1.493	50	20	DDGD	
CCC[C@H](NC(=O)NNC(=O)C(=O)N1CCCC1)C1CCCC1	838778216	KKOOWFFSDBDLTB-ZDUSSCGKSA-N	324.425	1.298	50	20	DDGD	
CO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)COCc1ccccc1	836316792	DZDFBMLQVQTKGU-ZIAGYGMSSA-N	321.377	1.101	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=S)NC(C1CC1)C1CC1	734760540	NWLRRGKYDPGJST-UHFFFAOYSA-N	304.419	1.308	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C1CCc2cc(F)ccc21	734295970	LGDRMJFNMGYTOE-UHFFFAOYSA-N	315.304	1.615	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)NC(=O)NNc1cc(Cl)ccn1	836632021	IBIFEQSMPFVZOO-SECBINFHSA-N	308.773	1.726	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)c1ccc(C(=O)O)nc1	833148884	SRNIWNYYLQFHIB-UHFFFAOYSA-N	315.314	1.541	50	20	DDGD	
CC(C)CO[C@@H](C)C(=O)NNC(=O)CCc1ccccc1O	730032171	MRFQZEZFIIRLAU-LBPRGKRZSA-N	308.378	1.533	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)C[C@H](C)c1cnn(C)c1	839739440	ABJMBRVDCYCJAH-NSHDSACASA-N	302.382	1.970	50	20	DDGD	
O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CC[C@@H](B(O)O)C1	585071165	NTBROMSTFUNWEQ-ZYOFXKKJSA-N	313.084	1.794	50	20	DDGD	
C=CCc1cc(C(=O)N2CC[C@@H](B(O)O)C2)cc(OC)c1OC	585068708	GANABVHNYVWTQO-CYBMUJFWSA-N	319.166	1.121	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCC[C@H](OC(F)F)C2)c(F)c1	585044504	LOWAMMDCNYZQCG-NEPJUHHUSA-N	317.116	1.146	50	20	DDGD	
CC(C)CSCCCNC(=O)NNC(=O)[C@@H]1CCCCO1	836376549	IGDZIMMIUUYRFG-LBPRGKRZSA-N	317.455	1.665	50	20	DDGD	
Cc1cc(CC(=O)NN=C2CCN(c3ccccn3)CC2)n[nH]1	915958157	PKDMJOACHGYBET-UHFFFAOYSA-N	312.377	1.428	50	20	DDGD	
Cc1cnnn1-c1ccc(NC(=O)NNC(=O)C2CCC2)cc1	831993195	PEXOYNVLMUUQMM-UHFFFAOYSA-N	314.349	1.529	50	20	DDGD	
O=C(C[C@@]1(O)CCCNC1)NNc1c(Cl)cccc1Cl	912236234	HVQYASXRKHZPQM-ZDUSSCGKSA-N	318.204	1.941	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1csc([N+](=O)[O-])c1	917546308	SKEBUZVBUSGDNN-UHFFFAOYSA-N	311.348	1.767	50	20	DDGD	
O=C(C[C@H](n1cccn1)C(F)(F)F)NNc1ncc(F)cn1	831349105	BGMXJRRAPWMGRY-QMMMGPOBSA-N	318.234	1.449	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CCCN(C(N)=O)C2)c(Cl)c1	836938282	JTCANNMBFVMIQA-JTQLQIEISA-N	310.785	1.882	50	20	DDGD	
CC(C)CN1C[C@@H](C(=O)NNc2ncc(F)cc2F)CC1=O	837207510	SBUJWQLNSVXXNU-VIFPVBQESA-N	312.320	1.307	50	20	DDGD	
Cc1cccc(S(=O)(=O)NNC(=O)O)c1Br	832972727	LUAYUNZSOJAWFZ-UHFFFAOYSA-N	309.141	1.218	50	20	DDGD	
CCOCCCNC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836196199	FOELWAOVYIAUPG-UHFFFAOYSA-N	324.337	1.178	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2cccc(C#N)c2)CCCC1	748040832	AYGPZAMWAWUFSW-UHFFFAOYSA-N	307.375	1.359	50	20	DDGD	
COCCOCC(C)=NNC(=O)Cn1ccc2ccccc21	741164772	ZIQHVWUSDHHXNR-UHFFFAOYSA-N	303.362	1.796	50	20	DDGD	
CCOc1ccc(O)c(C=NNC(=O)C(=O)NC(CC)CC)c1	740764101	ZCLQWLYPDIGYOQ-UHFFFAOYSA-N	321.377	1.546	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccccc1NCc1cccnc1	910150932	XEOXEJQUIJSWMN-ZDUSSCGKSA-N	314.389	1.651	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCCN2CCCC2)cc1	916196299	ZRAVORBTZGTIRE-UHFFFAOYSA-N	318.421	1.679	50	20	DDGD	
CC[C@H](C(=O)NNc1ncc(Br)cn1)[C@@H](C)O	848392046	UMDZXWNPFWBXBO-SVRRBLITSA-N	303.160	1.089	50	20	DDGD	
CC[C@@H](C)C(=O)NN=Cc1cnc2cnc(Br)cn12	746369520	USIVNPPAWRHLEK-MRVPVSSYSA-N	324.182	1.988	50	20	DDGD	
N[C@@H]1CCC[C@@H](NC(=O)NNc2ccc3c(=O)[nH]ccc3c2)C1	841982262	SFZUECRCLQAGMB-VXGBXAGGSA-N	315.377	1.424	50	20	DDGD	
COCCN(C[C@H](C)CBr)C[C@@H](O)C(F)(F)F	847024347	IOFNOEDYCBVIPV-RKDXNWHRSA-N	322.165	1.889	50	20	DDGD	
O=C(NN=C1CCCC[C@@H]1N1CCCCCC1)C(=O)NC1CC1	749809832	KTASYABCZPJERG-HNNXBMFYSA-N	320.437	1.556	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1	910177167	JBTYAYDHUOQJCZ-QMMMGPOBSA-N	309.347	1.767	50	20	DDGD	
C[C@H]1CC(C)(C)CCC1=NNC(=O)[C@@H]1CCS(=O)(=O)C1	748250524	OBXUWKHQQIOIHZ-WDEREUQCSA-N	300.424	1.740	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC[C@@H](O)[C@H]1C(=O)O	911638102	QNBQDSSUANQXTL-HRDYMLBCSA-N	322.199	1.233	50	20	DDGD	
Cc1nc(-c2ccccc2)[nH]c1C(=O)NNC(=O)c1ccc[nH]1	916160312	ARWXZDNMVHKBQF-UHFFFAOYSA-N	309.329	1.788	50	20	DDGD	
CCOCC(C)=NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	741771212	KLBJCOKZDDPSPO-UHFFFAOYSA-N	313.379	1.624	50	20	DDGD	
CC(C)c1ccccc1OCC(=O)NNC(=O)[C@H]1CCO[C@H]1C	843650154	ZFYASICCPWMXRA-JSGCOSHPSA-N	320.389	1.761	50	20	DDGD	
Cc1cc(S(=O)(=O)NCCCSC#N)cnc1Cl	916979642	PPEUWTPMSSKIMK-UHFFFAOYSA-N	305.812	1.926	50	20	DDGD	
CC(=O)Nc1ccc(C)c(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	843653439	CAVIEYAFVGUYDK-MFKMUULPSA-N	319.361	1.139	50	20	DDGD	
COCC1(CC(=O)NNC(=O)COc2ccc(F)cc2)CC1	843756003	QHXFPZPYKSZZNP-UHFFFAOYSA-N	310.325	1.169	50	20	DDGD	
Cc1cccc(F)c1CNC(=O)NNC(=O)Cc1cccnc1	743588804	JVYQPONXJTUDMU-UHFFFAOYSA-N	316.336	1.602	50	20	DDGD	
CNC(=O)NN=Cc1cnn(-c2ccc(Br)cc2)c1	920377410	CRDCBYLRDNTWOY-UHFFFAOYSA-N	322.166	1.898	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCC[C@@H]2COC[C@@H]21	841584349	IBRLYRSEKIMWIS-YPMHNXCESA-N	319.361	1.160	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(F)c(C(=O)OC)c1	929833054	VBBBBLVILYDUSW-UHFFFAOYSA-N	321.308	1.569	50	20	DDGD	
CC(C)=CC(=O)NCc1ccc(C(=O)NNC(=O)C(C)C)cc1	742477486	QFDAEELBHOKELY-UHFFFAOYSA-N	317.389	1.686	50	20	DDGD	
CCOC(=O)c1c(CC(C)C)csc1NC(=O)C(=O)NN	841200035	ZAPRAOQXXVDDPV-UHFFFAOYSA-N	313.379	1.052	50	20	DDGD	
Cn1nc(C(=O)NNc2nc3ccccc3n2C)c2c1CCCC2	848380874	VYTAAJDMSNFBSK-UHFFFAOYSA-N	324.388	1.943	50	20	DDGD	
Cc1nonc1COC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	741439532	TUEKBCUJNCNFAV-QCDXTXTGSA-N	311.301	1.547	50	20	DDGD	
CC1(OCC(=O)NNc2ncc(Br)cn2)CCC1	848321061	HHSQWZNZKULFNX-UHFFFAOYSA-N	315.171	1.641	50	20	DDGD	
O=C(NNC(=O)C1(c2ccccc2)CCCC1)c1ncccn1	841355033	VQKWPAMBXDGDLO-UHFFFAOYSA-N	310.357	1.750	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1c(C2CC2)cnn1C	849242092	VNVHDPRVGAXHFH-UKTHLTGXSA-N	302.378	1.747	50	20	DDGD	
COC(=O)Nc1ccccc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843976898	ZUHGASBVTNTONF-UWVGGRQHSA-N	321.333	1.051	50	20	DDGD	
COC/C(C)=C\C(=O)NNC(=O)CCc1ccc(OC)cc1	844349393	JJKVGIAMMTXRFL-BENRWUELSA-N	306.362	1.368	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)[C@@H]1CCc2nnnn2CC1	845854517	ITUCOLNYLAHDLY-MRVPVSSYSA-N	308.292	1.047	50	20	DDGD	
CCc1ccc(C(=O)NNC(=S)NC2CCN(C)CC2)cc1	920307032	HSHPLDUKOMMORJ-UHFFFAOYSA-N	320.462	1.452	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ccc(C#N)cn1)N1CCCCC1	924822603	XZUBPHDMOOPSQO-OAHLLOKOSA-N	301.394	1.907	50	20	DDGD	
O=C(C[C@@H](n1cccn1)C(F)(F)F)NNc1ncncc1F	854609259	MNJAPUQCHDDMFL-MRVPVSSYSA-N	318.234	1.449	50	20	DDGD	
Cc1cc(C)cc(CCNC(=O)NNC(=O)c2cn[nH]c2)c1	858244640	YDFVVSOARVEACL-UHFFFAOYSA-N	301.350	1.213	50	20	DDGD	
O=C(NCCO[C@@H]1CCOC1)NNc1c(F)cccc1Cl	927520966	FUYCYDYRCWMRCL-SECBINFHSA-N	317.748	1.911	50	20	DDGD	
Cn1ncc2cc(C(=O)NC[C@]3(C)C[C@H]3Br)cnc21	857392356	AYZVMAHLEJGJBU-MFKMUULPSA-N	323.194	1.872	50	20	DDGD	
CC(C)c1cc(CNC(=O)NNC(=O)c2cccc(F)n2)on1	852111194	XDYADOOIJMOHNA-UHFFFAOYSA-N	321.312	1.476	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc(Cn2ccnn2)cc1	858111131	UJFDWXABZYOEMR-UHFFFAOYSA-N	317.349	1.496	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C(C)c2cnn(C)c2)c1	920827218	JXGVVIGSUQGVSK-UHFFFAOYSA-N	302.334	1.591	50	20	DDGD	
CCOC(=O)[C@@H](C[C@H](C)CC)NS(=O)(=O)CCCCl	921382445	DJNNZAQGRUKTDL-GHMZBOCLSA-N	313.847	1.903	50	20	DDGD	
COC(=O)N1CCC(C(=O)NNc2ncc(Cl)cn2)CC1	857358833	JBYGISPSIXMDJJ-UHFFFAOYSA-N	313.745	1.052	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)OCC(F)(F)F)cn1	856025731	XPSBSIABFJTOPZ-UHFFFAOYSA-N	306.244	1.081	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Nc2cccc3c2OCO3)cc1	757995107	KWNKPAZIJMBLIG-UHFFFAOYSA-N	324.296	1.753	50	20	DDGD	
Cc1ccc([C@@H](C)[C@@H](O)C(=O)NNC(=O)C2CCOCC2)cc1	923063227	WUPLYIOFACKJDN-IUODEOHRSA-N	320.389	1.033	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1cncc(OCC)c1	856720194	DXIPOXZKSHLPRC-ZSOIEALJSA-N	303.362	1.930	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](C)Cc2cnc[nH]2)c1C	855624219	FZOHMSIYSJLDOQ-SNVBAGLBSA-N	316.361	1.827	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)N[C@@H]1COC[C@H]1C	926017929	JDJHELKHSGKIAZ-RKDXNWHRSA-N	313.789	1.914	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H]1CCn2cncc2C1	857944668	LRVFNXFDLKDPMY-GFCCVEGCSA-N	321.812	1.680	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccc2c(c1)N(C)CC2	757917642	MGWMANLEZJZYBW-UHFFFAOYSA-N	314.349	1.177	50	20	DDGD	
O=C(NNC(=O)C1(c2cccc(Cl)c2)CCC1)c1cc[nH]n1	855359644	ZDNREKHWTLKIFW-UHFFFAOYSA-N	318.764	1.946	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1nc(Cl)ccc1F	759758501	RJNSHPJQCNWXOF-UHFFFAOYSA-N	304.778	1.782	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)C1CC1	855104052	XYWBFISXELXDNL-MDFVCYEDSA-N	323.462	1.676	50	20	DDGD	
CCc1nocc1CN(C)C(=O)NNC(=O)c1cccc(F)n1	852710605	SQXNDKIYCMYZIB-UHFFFAOYSA-N	321.312	1.258	50	20	DDGD	
CCC[C@@H](O)CC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	750068915	VSBIUZKUWPZANU-GHMZBOCLSA-N	312.341	1.292	50	20	DDGD	
CCN1C[C@@H](C(=O)OC[C@H](CBr)C2CC2)CC1=O	859493180	BOFRQZDYSCENQO-QWRGUYRKSA-N	318.211	1.819	50	20	DDGD	
COc1cccc(C(=O)NN=c2sc3ccccc3n2C)n1	752265424	MVKFZQASZXWGNP-UHFFFAOYSA-N	314.370	1.889	50	20	DDGD	
Cn1ccnc(NNC(=O)[C@@]2(c3ccccc3)CC2(C)C)c1=O	857144990	YWUWBPORYGKUJO-KRWDZBQOSA-N	312.373	1.591	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)c2ccc(O)cc2)C[C@@H]1Br	857390408	DTJWCAYQTMNACY-GXFFZTMASA-N	312.163	1.865	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(CN(C(C)=O)C2CC2)cc1	756661698	UETSDYVXFMLGCJ-UHFFFAOYSA-N	318.377	1.760	50	20	DDGD	
O=C(Cn1cc2ccccc2n1)NNC(=S)NCC1CCC1	855091661	YWKVPLDHXKWOEI-UHFFFAOYSA-N	317.418	1.332	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1[N+](=O)[O-])C1CCOCC1	755887401	KFQIWAQFAAUBPS-UHFFFAOYSA-N	321.333	1.892	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)[C@@H]2CCC(=O)N2)C12CCCCC2	863148983	OANWBZLRETXBEM-WCQYABFASA-N	307.394	1.497	50	20	DDGD	
C[C@H](NNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)C(F)(F)F	862307530	MNXFJSKQUQRBEX-WPRPVWTQSA-N	307.316	1.207	50	20	DDGD	
CCc1c(C(=O)NNc2ncc(F)cn2)cnn1C(C)(C)C	762095679	JNKUGGCHMNVFBE-UHFFFAOYSA-N	306.345	1.887	50	20	DDGD	
COC(C)(C)CNC(=O)NNc1ccccc1S(C)(=O)=O	765804864	DOVJVZZYGZDFBI-UHFFFAOYSA-N	315.395	1.141	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1)c1ccc2nnc(O)n2c1	765010080	SQSKJPFNRFTIKC-UHFFFAOYSA-N	303.709	1.845	50	20	DDGD	
C[C@H](NNC(=O)Cc1ccc(-n2cnnc2)cc1)C(F)(F)F	862321979	CWEHXAYGIRHMBP-VIFPVBQESA-N	313.283	1.381	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H](c2ccccc2)C(C)C)n[nH]1	869014245	PUIDFENJFFCGMM-INIZCTEOSA-N	314.389	1.848	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Cc1ccco1	764561936	ASRKHQYIQVSWIZ-SNVBAGLBSA-N	306.293	1.576	50	20	DDGD	
C[C@H]1COC[C@@H]1NS(=O)(=O)c1ccc(CCCl)cc1	699460929	CJGCSOVXOZOWIH-GWCFXTLKSA-N	303.811	1.781	50	20	DDGD	
Cc1cc(=NNC(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc[nH]1	862509565	PSHBEZXYKGVLDT-CQSZACIVSA-N	324.384	1.846	50	20	DDGD	
O=C(NNC(=O)C1SCCS1)c1cc2c(s1)CCC2	761135995	QQIKUDAKTFVWJK-UHFFFAOYSA-N	314.457	1.804	50	20	DDGD	
COCCCn1cc(C(=O)NN=c2cc[nH]cc2Cl)cn1	860855349	XZVDYAMMFVIFNE-UHFFFAOYSA-N	309.757	1.147	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H](C)Cc2cnn(C)c2)c1	862480425	VRJXDSHQHMCFFZ-JTQLQIEISA-N	306.391	1.430	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)c2ccc(S(N)(=O)=O)nc2)c1	763583481	VAOWXSFSDFXFIK-UHFFFAOYSA-N	320.374	1.103	50	20	DDGD	
Cc1cc(CCC(=O)NNC(=O)NCCc2cccs2)no1	930735247	WQBJUEOEMFOFTA-UHFFFAOYSA-N	322.390	1.550	50	20	DDGD	
COCCOCc1ccc(NC(=O)NNC(=O)CC2CC2)cc1	861567408	DWIHXRGNPQOJAR-UHFFFAOYSA-N	321.377	1.802	50	20	DDGD	
CC(=NNC(=O)c1cn[nH]c1)[C@H]1CCCN1C(=O)OC(C)(C)C	863154285	UYZIFFINYBOUPC-GFCCVEGCSA-N	321.381	1.915	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)c1cnc2[nH]cnc2c1	764181141	PAKKGWOTHOAXOL-UHFFFAOYSA-N	304.313	1.685	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1	761626238	VMOFQDMSHPBSLI-SNVBAGLBSA-N	308.338	1.829	50	20	DDGD	
CC(=O)N[C@H](CC(C)C)C(=O)NN(C)C(=O)OC(C)(C)C	861957889	JJHVGKMXJUYHQQ-LLVKDONJSA-N	301.387	1.435	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCc2cc(F)ccc2C1	768813754	KERAOHUCMJPAGJ-UHFFFAOYSA-N	307.369	1.377	50	20	DDGD	
O=C(NN=C1CCCOc2ccc(F)cc21)c1cnccn1	863968395	NTJCDFGJJTXHFC-UHFFFAOYSA-N	300.293	1.922	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1)c1cscn1	767900769	WVHFFBOQTTZNKE-UTUOFQBUSA-N	324.450	1.729	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)CCC1=O	763335184	JXZWEGDOHXIYKZ-UWVGGRQHSA-N	318.329	1.182	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)ns1	767441852	QILFISCCNKGQPP-SECBINFHSA-N	323.349	1.819	50	20	DDGD	
CCn1nc(C=NNC(=O)COCCOC)c2ccccc21	872401385	SFMKTJKGGSIJKN-UHFFFAOYSA-N	304.350	1.169	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccc([N+](=O)[O-])cc2F)n1	777877476	OBNCLPWYVYAJBC-UHFFFAOYSA-N	319.296	1.698	50	20	DDGD	
CC(C)(C)n1ncc2c(O)nc(NNC(=O)c3cnco3)nc21	1116389004	LFKUOCRGKZYCSW-UHFFFAOYSA-N	317.309	1.032	50	20	DDGD	
CC(CCn1cccn1)=NNC(=O)COCc1ccccc1	776772157	LVSQCLWORNGQOH-UHFFFAOYSA-N	300.362	1.982	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNC(=O)c1ccccc1F	877941339	DMMBYIMOCWDUHN-LKFCYVNXSA-N	316.336	1.676	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)C1(C(=O)C2CC2)CC1	874955947	HMCVZISMXXAEFI-UHFFFAOYSA-N	304.375	1.159	50	20	DDGD	
CCc1nc(C(=O)NNc2nc3ccccc3c(=O)n2C)co1	772992039	QWWFUYXYIBVRBU-UHFFFAOYSA-N	313.317	1.241	50	20	DDGD	
CN(NC(=O)Cc1ccc(Cl)cc1Br)C(N)=O	778415577	LESWARXVACYLPR-UHFFFAOYSA-N	320.574	1.687	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2[C@H](C)[C@@H](OC)C2(C)C)n1	775770464	DDHIQPMWMHFTPB-MVWJERBFSA-N	323.397	1.479	50	20	DDGD	
C[C@H]1CC[C@H](C(=O)NNC(=O)Cc2nc3ccccc3n2C)C1	776336519	JGHWMXMVLHAZRZ-RYUDHWBXSA-N	314.389	1.699	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NN=c2cc[nH]c(C)c2)[C@@]12CCCO2	875489941	PVSDRPMDWNGELF-FMKPAKJESA-N	320.393	1.165	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](C)Oc1ccc(F)c(F)c1	770548765	IXWQUDYEAKRYGN-QMMMGPOBSA-N	301.293	1.425	50	20	DDGD	
CC1(C)CCC[C@H](CNC(=O)NNC(=O)C2CCOCC2)C1	883684714	OEISSMDYRAMAER-LBPRGKRZSA-N	311.426	1.960	50	20	DDGD	
CC(C)[C@H](C(=O)NCCCSC#N)N1C[C@@H](C)O[C@H](C)C1	773587571	JAPAZFMIJZQXJA-MGPQQGTHSA-N	313.467	1.841	50	20	DDGD	
CC(C)[C@](C)(O)C(=O)NNC(=O)c1ccc(Cl)cc1F	771397683	ADRAWVLGZRCBRZ-ZDUSSCGKSA-N	302.733	1.647	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CC[C@H](C)C2)cc1C	776338299	IAWLIIGYQKMXNY-GWCFXTLKSA-N	317.389	1.826	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@H]1CCO[C@@H](C)C1	770754456	RYMIHEUPKMNAPJ-STQMWFEESA-N	305.378	1.754	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1CSC(c2ccccc2)=N1	887151844	MKKNCHGAPPBEIC-ZDUSSCGKSA-N	315.398	1.500	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2snnc2C(C)C)cc1	1120488904	LXONADVRRBYGKY-UHFFFAOYSA-N	320.374	1.745	50	20	DDGD	
CN(CCCF)C(=O)NNC(=O)c1cccc(OC(F)F)c1	884123354	QDFHIKJALJDCFW-UHFFFAOYSA-N	319.283	1.934	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)COC[C@@H]2CCCO2)c1	780793265	VWLAXMRHFKJSDE-ZDUSSCGKSA-N	308.334	1.112	50	20	DDGD	
COc1ccc(NNC(=O)NCc2ccc3c(c2)CCO3)nc1	780978798	YTIDCSSBHRFYMX-UHFFFAOYSA-N	314.345	1.851	50	20	DDGD	
CC(C)[C@H](F)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	784795057	MKNLHSIBXDUQOV-JTQLQIEISA-N	305.350	1.043	50	20	DDGD	
Cc1ccc(C2(C(=O)NNC(=O)C3CCOCC3)CCC2)cc1	883071680	JRXVBDJVCOIVLT-UHFFFAOYSA-N	316.401	1.991	50	20	DDGD	
CO[C@@H](C)CCC(=O)NNC(=O)COc1ccc(C)c(C)c1	782550042	XGGSHCPDBYGAMT-ZDUSSCGKSA-N	308.378	1.645	50	20	DDGD	
CC(=O)CSCC(=O)NNC(=O)c1cccc2ncccc12	787332471	LJEFNJBHZZEPOT-UHFFFAOYSA-N	317.370	1.318	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc([C@H]3CCCN3C)[nH]n2)n1	895556621	HMXQFOUZFKDWKM-CYBMUJFWSA-N	315.381	1.340	50	20	DDGD	
Cc1cnc2c(C(=O)NN(C)C(=O)OC(C)(C)C)cnn2c1	897964912	AKDXSZRUGBBWNR-UHFFFAOYSA-N	305.338	1.549	50	20	DDGD	
CCNC(=O)NNC(=O)C1(C)CCN(Cc2ccccc2)CC1	780470469	RSHJPNUNIJWLRL-UHFFFAOYSA-N	318.421	1.639	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NNC(=O)CNc1ccccc1	895535002	MDQLCSSSQITWHX-ZDUSSCGKSA-N	304.394	1.119	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccccc2OC)ccc1O	785411808	VXVZKJPBHHPNRM-UHFFFAOYSA-N	316.313	1.484	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1ccc(N2CCNC2=O)cc1	781363022	HXJLXCVQMNNSBL-UHFFFAOYSA-N	315.308	1.507	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1CNC(=O)NNc1nc2ccccn2n1	790449398	AXWNTABJSJRQPV-GHMZBOCLSA-N	304.354	1.171	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42	795078673	RHEGGVBHBFZBAL-XNIWICEBSA-N	302.418	1.964	50	20	DDGD	
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NNC(=O)c1ccc(C)o1	798096057	ZFKOVWGCEVOCQP-DGCLKSJQSA-N	307.350	1.513	50	20	DDGD	
Cc1nc(O)c(Br)cc1C(=O)NNc1ncccn1	795047639	QPLNOKPVJPSQLU-UHFFFAOYSA-N	324.138	1.405	50	20	DDGD	
CCOc1ccc(C(=O)NN=C(C)c2ncc[nH]2)cc1OC	790151582	NVVHFLADOHHBTP-UHFFFAOYSA-N	302.334	1.971	50	20	DDGD	
C=CCC1(C(=O)NNC(=O)c2ccc3c(c2)OCO3)CCC1	790110002	ARMLUTOVUGPZKH-UHFFFAOYSA-N	302.330	1.923	50	20	DDGD	
C[C@@H](C=NNC(=O)NCc1ccco1)NC(=O)OC(C)(C)C	799109806	KBLBKTGSJHRVCG-JTQLQIEISA-N	310.354	1.978	50	20	DDGD	
C[C@@H]1CCC[C@H](CNC(=O)NNC(=O)C(=O)N2CCCC2)[C@@H]1C	797543335	WGQIVESXHIWNTK-JHJVBQTASA-N	324.425	1.012	50	20	DDGD	
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NNc1ncncc1Cl	798095995	WOSBLJWASKQHDF-MWLCHTKSSA-N	311.773	1.737	50	20	DDGD	
Cc1ccc2c(c1)OCCCC2=NNC(=O)N1CCN(C)CC1	790175314	YWLDUYKDAPJZPL-UHFFFAOYSA-N	316.405	1.829	50	20	DDGD	
Cc1nn(C(C)C)cc1C=NNC(=O)c1ccnc(N(C)C)c1	799109721	KNIKDNBXWRFLFK-UHFFFAOYSA-N	314.393	1.997	50	20	DDGD	
COc1cc(C)sc1C(=O)NNC(=O)c1cccc(C)n1	794084951	XTHYPENFPJBWRR-UHFFFAOYSA-N	305.359	1.843	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)Nc1ccc(F)cc1	1319742766	YYFOIALDZRJBOP-UHFFFAOYSA-N	317.324	1.894	50	20	DDGD	
O=C(COc1ccc([N+](=O)[O-])c(F)c1)NNc1cccc(F)n1	1322777632	UFTPCMVZPHIMLA-UHFFFAOYSA-N	324.243	1.790	50	20	DDGD	
Cn1nc2ccccc2c1C(=O)NNc1ncccc1[N+](=O)[O-]	1320431927	LPTXJGAAEKHLPK-UHFFFAOYSA-N	312.289	1.633	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C(C#N)(CC)CC)nc1C	1328932483	MCNIHYOSNNDWPM-UHFFFAOYSA-N	319.365	1.735	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc2ccccc2nc1O	1322108366	CEMNOUDZLKWQJD-UHFFFAOYSA-N	304.375	1.458	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1	1330772531	AFGFWUQEFQPWAU-UHFFFAOYSA-N	317.257	1.478	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=C1COC[C@@H]1C	1330876859	OKZAWPXVEHTAAA-WDEREUQCSA-N	309.366	1.042	50	20	DDGD	
O=C(CN1CCC(CO)CC1)NNc1cc(Cl)ccc1F	1336037561	XKEWCQRQOYPSBB-UHFFFAOYSA-N	315.776	1.627	50	20	DDGD	
COc1cc(F)cc(F)c1S(=O)(=O)NCCCSC#N	1333483355	OLXJTYWRHXPILS-UHFFFAOYSA-N	322.358	1.856	50	20	DDGD	
CO[C@@H]1CCC[C@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)C1	1261233188	JBIHKCBSJIVXSF-WDEREUQCSA-N	320.393	1.255	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cn2ccnc2C(C)C)cc1	1350281861	OWUXHDFCQCGDKA-UHFFFAOYSA-N	316.361	1.476	50	20	DDGD	
O=C(C[C@@H]1Cc2ccccc2O1)NNc1ccc(C(=O)O)cn1	1601258974	NMJHPQMTCMFDHN-LBPRGKRZSA-N	313.313	1.617	50	20	DDGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CC(=O)O	1607942277	MPLVOWCFNSLWGJ-UHFFFAOYSA-N	319.342	1.354	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1cc(-n2cccn2)ccn1	1601560943	HILDDQUMSMWVPD-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
Cn1cc(Cl)c(C(=O)NNc2ccc(CC(=O)O)cc2)n1	1600956917	MFAJLPQQDGQRGQ-UHFFFAOYSA-N	308.725	1.458	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1ccc(C(=O)O)s1	1609655250	JEMFMGSRSQZNKA-UHFFFAOYSA-N	313.379	1.713	50	20	DDGD	
CN(CC(=O)NNc1ccc(C(=O)O)cn1)Cc1ccccc1	1606081000	CNHYEEYKLOCDPR-UHFFFAOYSA-N	314.345	1.355	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccnn1C)[C@H]1CCOC1	1549314727	FWIBBVOSFDHVPT-GUTXKFCHSA-N	320.393	1.416	50	20	DDGD	
COC(=O)c1cc(OC(=O)C2=CC[C@@H](N)C2)ccc1[N+](=O)[O-]	1578860565	WXBVXIREWPARTM-SECBINFHSA-N	306.274	1.334	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2cnc(CN)s2)c1	1579768253	SUVXNHXOBBLITK-UHFFFAOYSA-N	321.431	1.542	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)NC1CCNCC1)c1cccs1	1574974058	XVIVJPPALTZEBU-MDZDMXLPSA-N	308.407	1.234	50	20	DDGD	
O=C(NNc1cc(Cl)nc2ncccc12)[C@H]1[C@H]2CCNC[C@H]21	1580737210	MMKGUYRQQWUQEF-PLMOITTCSA-N	317.780	1.582	50	20	DDGD	
C[C@H](C(=O)O)n1cccc1C=NNC(=O)NCc1ccccc1	1589540383	WPXYALBBCPTWTP-GFCCVEGCSA-N	314.345	1.967	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)c2cccnc2)C1	1842392905	QTIJCSXODDYSEG-NSHDSACASA-N	311.744	1.433	50	20	DDGD	
O=S1(=O)C[C@H](OCC2CC2)[C@@H](I)C1	158084712	XYESYBHZRNFPGR-YUMQZZPRSA-N	316.160	1.014	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2ccnnc2)C1	1842399869	YEVWZYJFOQNHIF-GFCCVEGCSA-N	322.796	1.311	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1sccc1-c1nn[nH]n1	1593167209	BZRXGFUHUNIODZ-UHFFFAOYSA-N	321.301	1.006	50	20	DDGD	
Cc1cc(OC(=O)c2ccc(-c3nn[nH]n3)[nH]2)ccc1[N+](=O)[O-]	1592058357	NSDZKVXIMZSTGA-UHFFFAOYSA-N	314.261	1.631	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@@]3(C(=O)O)CCCO3)nc12	1594413500	FCWJVLLMLIVXTE-CQSZACIVSA-N	321.358	1.682	50	20	DDGD	
CC(C)(CC=NNC(=O)c1cc([N+](=O)[O-])ccc1O)C(=O)O	1590653664	CGJHSKCBMAEWOR-UHFFFAOYSA-N	309.278	1.517	50	20	DDGD	
CC[C@@H](C)[C@@H](NNC(=O)Cn1ccc2ccccc21)C(=O)O	1594922423	ZPEQTFAMAROPCQ-IAQYHMDHSA-N	303.362	1.761	50	20	DDGD	
COc1cccc(C(=O)NN=Cc2snc(C)c2C(=O)O)c1	1776109943	HDLKICAJWBMOOZ-UHFFFAOYSA-N	319.342	1.922	50	20	DDGD	
CC(=NNC(=O)N(C)C)c1cnc2ccccc2c1C(=O)O	1776039794	GWJQVUVUOMHFRW-UHFFFAOYSA-N	300.318	1.928	50	20	DDGD	
C#CC(=O)NC1(c2ccc(NC(=O)[C@@H](O)CCl)cc2)CCC1	1786138922	ZERHFAZUONEPOJ-ZDUSSCGKSA-N	320.776	1.353	50	20	DDGD	
COC(=O)NNC(=O)c1cc(C)n(-c2ccccc2Cl)n1	158706393	OLYJAXVTGFSHTF-UHFFFAOYSA-N	308.725	1.835	50	20	DDGD	
CNC(=O)c1ccc(/C=C(/C#N)C(=O)Nc2ccncc2)cc1	160748778	JOHUWDVZCJYYCY-UVTDQMKNSA-N	306.325	1.987	50	20	DDGD	
CSc1cc(C(=O)NNc2ncccc2[N+](=O)[O-])ccn1	152965353	IQDLJPROPPCQPZ-UHFFFAOYSA-N	305.319	1.864	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2ncccc2[N+](=O)[O-])n(C)n1	153531797	IKYXRPGANFFHGB-UHFFFAOYSA-N	304.310	1.604	50	20	DDGD	
Cc1cccc(OC(F)F)c1NC(=O)NNC(=O)CN(C)C	155996839	OTQAFJQSOLDTQN-UHFFFAOYSA-N	316.308	1.311	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2)c(C)c1	159507850	RIMRRDXCDFJAMT-UHFFFAOYSA-N	311.341	1.703	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=S)NC[C@@H]2CCCO2)cc1	6946176	NBIFPGBSHHGREW-ZDUSSCGKSA-N	323.418	1.373	50	20	DDGD	
Cc1cc(C)n(CC(=O)N/N=C2/C(=O)Nc3cc(F)ccc32)n1	7746527	DZVHXOFNABRXOA-UHFFFAOYSA-N	315.308	1.112	50	20	DDGD	
CCCN(CCC)CCCNC(=O)NNC(=O)c1ccc[nH]1	102807955	MEAURTCPFWATOG-UHFFFAOYSA-N	309.414	1.471	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NNC(=O)Cc1cccnc1	171510880	NRYIDJAVCHWMMA-UHFFFAOYSA-N	323.356	1.130	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(F)cc1C	119039129	JHDMAGGRPNJZNH-UHFFFAOYSA-N	309.341	1.200	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccccc1	22696285	OTCOKUKSYLRDRK-GFCCVEGCSA-N	316.317	1.878	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)Cc1cc[nH]n1	106417600	FKIDUPHFKDSLMH-UHFFFAOYSA-N	308.341	1.496	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)N2CCOCC2)CC1	171029795	DOOXIVYYGRJGDT-UHFFFAOYSA-N	303.362	1.100	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H]2CCCN(C(C)C)C2)nn1	106339413	FSNYVJMBZGUXEG-ZDUSSCGKSA-N	306.414	1.532	50	20	DDGD	
C=C(C)CN1CCC(NC(=O)NNC(=O)OC(C)(C)C)CC1	106341313	XJHGJCFXHURFPI-UHFFFAOYSA-N	312.414	1.766	50	20	DDGD	
COc1ccccc1OCC(=O)NNc1ccc(Cl)nn1	118504612	WPSNOPYGCFLYKL-UHFFFAOYSA-N	308.725	1.661	50	20	DDGD	
C[C@H]1[C@@H](C)N(CCI)CC[S@]1=O	306187800	NYWOSCZTAWBXFF-RGNHYFCHSA-N	301.193	1.263	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCc1c(C)noc1C	67462267	RSLDKCFDFQXGPO-UHFFFAOYSA-N	318.333	1.444	50	20	DDGD	
C=CCOc1ccc(C(=O)NNC(=O)c2cnn(C)c2)cc1	117679431	COIOXYXSULXQJT-UHFFFAOYSA-N	300.318	1.060	50	20	DDGD	
O=C(CSCc1ccncc1)NNC(=O)NC1CCCC1	65919286	FTIYLSNIJOCUCO-UHFFFAOYSA-N	308.407	1.588	50	20	DDGD	
Cc1cc(C(=O)CCC(=O)NNC(=O)NC2CC2)c(C)s1	64428071	VHRJHYFKZJCGCY-UHFFFAOYSA-N	309.391	1.821	50	20	DDGD	
CCC(CC)C(=O)NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1	111055103	VGKVYUKENBINTF-UHFFFAOYSA-N	320.397	1.754	50	20	DDGD	
COc1cccc(CO[C@H](C)C(=O)NNc2cc(C)ncn2)c1	172273598	OOCRSUAVRQVFAI-GFCCVEGCSA-N	316.361	1.842	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccccc1-c1nnnn1C(C)C	125306652	PREYUFYIPHUQRI-UHFFFAOYSA-N	303.326	1.094	50	20	DDGD	
CCS(=O)(=O)CC(=O)NNc1ccc(C#N)c(Cl)c1	182384379	DROBIYXNLJXKKF-UHFFFAOYSA-N	301.755	1.089	50	20	DDGD	
O=C(NCCC1Cc2ccccc2C1)NNC(=O)c1ccc[nH]1	127325354	JJKPQPGARCHYBF-UHFFFAOYSA-N	312.373	1.764	50	20	DDGD	
Cn1cccc(NC(=O)NNC(=O)CCc2ccccc2)c1=O	185990640	DSOSCDUSGSGXLI-UHFFFAOYSA-N	314.345	1.171	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-]	126630633	OFCQNCHWNQARCC-UHFFFAOYSA-N	312.301	1.786	50	20	DDGD	
COc1cccc(NNC(=O)c2cn(Cc3ccccc3)nn2)n1	180690288	MDEMLRSADTZABD-UHFFFAOYSA-N	324.344	1.487	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)CNc1ccc(C)cc1C	129448510	FWVBLRNVQSBPEV-UHFFFAOYSA-N	307.394	1.535	50	20	DDGD	
C[C@@H]1CCC[C@H]1CC(=O)NNC(=O)Cc1cn2ccccc2n1	184750681	BAVRZVHHPVUTCZ-OLZOCXBDSA-N	314.389	1.851	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CN2CCCCC2)cc1C	123647464	PUNWMHSRFZJAKB-UHFFFAOYSA-N	309.435	1.866	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)N2CCOCC2)c(Cl)n1	181871784	DKLZGIVHIVUZEE-UHFFFAOYSA-N	312.757	1.038	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)CSc1ccncc1	132604664	FWQFCTHXEWHGPJ-UHFFFAOYSA-N	315.398	1.954	50	20	DDGD	
CC[C@@H](NNC(=O)c1ccc(Cl)cc1OC)C(=O)OC	192830047	RDQRUXJNASBHQY-SNVBAGLBSA-N	300.742	1.535	50	20	DDGD	
Cc1nc2c(cnn2C(C)C)cc1C(=O)NNC(=O)N(C)C	194927172	PQQDKFVPHCCLJU-UHFFFAOYSA-N	304.354	1.237	50	20	DDGD	
COc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)CC2CCCC2)c1	195205520	QERQIBHXBQBXRD-UHFFFAOYSA-N	321.333	1.945	50	20	DDGD	
Cc1ccc(C(=O)NNc2cc(Cl)nc(N)n2)c(O)c1C	133965805	SCGRITZQFROUNT-UHFFFAOYSA-N	307.741	1.792	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C(=O)Nc1cccc2[nH]ccc12	190303602	RSRRBMBERBSJNI-UHFFFAOYSA-N	313.292	1.784	50	20	DDGD	
CC1(C)CCN(S(=O)(=O)CBr)CCS1	228075852	KMFVEKRLCYLUAB-UHFFFAOYSA-N	302.259	1.886	50	20	DDGD	
CCC(N)(CC)CNC(=O)c1c(C)nn(CCCl)c1C	236805329	MJNFMRHUVQAXTD-UHFFFAOYSA-N	300.834	1.986	50	20	DDGD	
CC(C)CCOCCNC(=O)NNC(=O)c1ccc(C#N)cc1	141396056	TWDNJKXATIKBEW-UHFFFAOYSA-N	318.377	1.565	50	20	DDGD	
CCC1(CC)[C@@H](NC(=O)NNC(=O)c2ccc[nH]2)[C@@H](C)[C@@H]1OC	92791853	YGEKWZZLPXAPJN-WXHSDQCUSA-N	322.409	1.798	50	20	DDGD	
CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)NCCCOC	267205993	QBBMIDMRVCYCAX-AWEZNQCLSA-N	323.393	1.519	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)CNc2ccc(C)cc2)O1	268225851	JZLOJHNURHTRAQ-ZIAGYGMSSA-N	305.378	1.512	50	20	DDGD	
COC(=O)C(C)(C)CNC(=O)NNC(=O)c1ccc(C)s1	268223563	XCJWKRPQFVNNFL-UHFFFAOYSA-N	313.379	1.200	50	20	DDGD	
CC(C)C[C@@H](C)NC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	269898144	MIYNQQADSPNWGK-SECBINFHSA-N	324.337	1.679	50	20	DDGD	
CO[C@H]1CCCC[C@H]1NC(=O)NNC(=O)Cc1ccccc1F	266557250	MGPYVNNUFDQHEZ-KGLIPLIRSA-N	323.368	1.656	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNC(=O)NCc2ccco2)ccn1	268417979	FXLFRSZRTHKOQF-UHFFFAOYSA-N	318.333	1.606	50	20	DDGD	
COc1ccccc1O[C@H](C)CNC(=O)NNC(=O)CC(C)C	266540835	KXYMERLPJBBBQM-GFCCVEGCSA-N	323.393	1.839	50	20	DDGD	
Cc1ccccc1O[C@H](C)CNC(=O)NNC(=O)C1CCC1	266641670	YCFNDGVPTAULBY-GFCCVEGCSA-N	305.378	1.893	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC12CCOCC2)c1ccc(Cl)nc1	365795184	SOGPQUTVAZCFIW-JTQLQIEISA-N	309.753	1.313	50	20	DDGD	
O=C1CCc2ccc(OS(=O)(=O)CBr)cc2N1	275407796	CQJOSOPSGNYDNM-UHFFFAOYSA-N	320.164	1.632	50	20	DDGD	
Cc1ccc(C[C@H](C)C(=O)NNc2nccn(C)c2=O)cc1	272354339	RCKSGOXCGXWJLM-LBPRGKRZSA-N	300.362	1.411	50	20	DDGD	
C=CCOc1cccc(NC(=O)C(=O)NNC(=O)CC2CC2)c1	274109815	ZIMBJQCCQOWGSM-UHFFFAOYSA-N	317.345	1.137	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)COC(C)(C)C)nc1C	272222465	UELBOSVFLHGVMH-UHFFFAOYSA-N	310.354	1.220	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C[C@](C)(O)C1CC1	270028025	CSRHNSNLSWKPCQ-QFYYESIMSA-N	324.352	1.292	50	20	DDGD	
Cc1cc(C(=O)NNc2cccc(S(C)(=O)=O)c2)c(C)n1C	271900894	ALDJLZDJDLJOHF-UHFFFAOYSA-N	321.402	1.802	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NOC2CCCC2)cc1	271682943	PFOAGOPYPMGXAG-UHFFFAOYSA-N	321.377	1.832	50	20	DDGD	
COc1cc2c(cc1NC(=O)NNC(=O)C1CC1)NC(=O)CC2	274436867	IWAWNADGNFNDQB-UHFFFAOYSA-N	318.333	1.143	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H]1CCc2ccc(OC)cc21	277134091	BCOGQPJXAYVSFH-CYBMUJFWSA-N	321.377	1.092	50	20	DDGD	
CSC(C)(C)CNC(=O)NNc1ccc(-n2ccnc2)nn1	286657191	LGHCHCNMGCCHBB-UHFFFAOYSA-N	321.410	1.430	50	20	DDGD	
CO[C@]1(C)C[C@H](NC(=O)NNC(=O)c2cccc(C)n2)C1(C)C	280766015	DVMKLTBSJLIIDP-BLLLJJGKSA-N	320.393	1.538	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CCOC(C)C)cc1C	281174721	JBIIPZYGGCHREC-UHFFFAOYSA-N	321.377	1.204	50	20	DDGD	
CN(C)C(=O)CCNC(=O)NNc1ccc2c(O)nccc2c1	287002787	DFRKYDFIUDHHPI-UHFFFAOYSA-N	317.349	1.045	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cccnc1SC(F)F	294649568	MUPHCLUWYXBNJC-QMMMGPOBSA-N	317.317	1.336	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1	292005879	RRSGMOUFEGDYGW-LBPRGKRZSA-N	320.349	1.412	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802095669	NOZYCZBREVZNFE-JTQLQIEISA-N	323.349	1.773	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cnn(C)c2C2CC2)cc1	299412036	OZVDONZKECKEKV-UHFFFAOYSA-N	312.373	1.935	50	20	DDGD	
COc1ccnc(NNC(=O)NCC(C)(C)c2ccccn2)n1	297471754	DBFCKIGTQOKGAW-UHFFFAOYSA-N	316.365	1.484	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1C	295169582	GEEGDCNRKPORNA-AAEUAGOBSA-N	312.391	1.180	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@H](O)c1ccccc1	803430952	OOFGFKPTGUVVJD-OAHLLOKOSA-N	309.325	1.705	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1cc2n(n1)CCCO2	805466728	XXSLOADLZFFNHB-UHFFFAOYSA-N	314.349	1.480	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H](C)n1ccc2ccccc2c1=O	294812704	VHYSWFLBMTYNJX-LLVKDONJSA-N	316.361	1.301	50	20	DDGD	
CSSCCNC(=O)[C@H]1CCCN1C(=O)C(F)(F)F	803477631	HCUHUXPXGKUSGX-SSDOTTSWSA-N	316.370	1.667	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)Cc2ccccn2)[C@@H]2CCC[C@H]21	296519001	ZXYJFNIFWRXUHE-ZIAGYGMSSA-N	316.405	1.875	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)N[C@@H]1CC1(C)C	299046562	GVVLOIVLBZJETR-BXKDBHETSA-N	309.341	1.722	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)[C@@H]1CCCSC1	809983548	KJSUFNHHVORWPW-LLVKDONJSA-N	318.402	1.327	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccoc2Cl)cc1	801111775	WFZKFTYEEUPMJP-UHFFFAOYSA-N	321.720	1.641	50	20	DDGD	
CCNC(=O)NN=C1C(=O)Nc2cccc(C(F)(F)F)c21	800811512	XNIPCVHNHYLCAT-UHFFFAOYSA-N	300.240	1.681	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(F)c(C#N)c2)nc1	802893778	VNSWRGCYUNQNMU-UHFFFAOYSA-N	314.276	1.636	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)NCc1ccco1	804031018	PXFSCLSAAKYVRO-UHFFFAOYSA-N	319.317	1.198	50	20	DDGD	
CC[C@H]1CCC[C@H]1C(=O)NNc1nccc(N2CCOCC2)n1	294839041	FCHGWMVICQZRDC-QWHCGFSZSA-N	319.409	1.583	50	20	DDGD	
C#Cc1cncc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)c1	806273677	DDEALXXLEKGYHK-UHFFFAOYSA-N	323.352	1.520	50	20	DDGD	
C[C@H](Oc1ccccc1C(F)(F)F)C(=O)NNc1nnc[nH]1	293800719	DFFLDGIZWFIRBF-ZETCQYMHSA-N	315.255	1.734	50	20	DDGD	
O=C(NCCCOc1ccccc1)NNC(=O)[C@@H]1CCCCO1	296130753	CPBFEABMGIDHNS-AWEZNQCLSA-N	321.377	1.355	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2ccncn2)OCCc2sccc21	297032530	JXUAWDJXNOCSLT-AWEZNQCLSA-N	319.390	1.652	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)CCc2nccs2)c1	299074243	FKJUHBXVZWZBNP-UHFFFAOYSA-N	318.402	1.603	50	20	DDGD	
C[C@H](CNC(=O)NNc1ncncc1F)Oc1ccccc1F	814306505	ADWVBZXXROTBHZ-SECBINFHSA-N	323.303	1.848	50	20	DDGD	
Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NN(C)C1CC1	819643895	SYGMRGZONTVBBV-UHFFFAOYSA-N	312.373	1.797	50	20	DDGD	
CC(C)(O)CN1CCC(=NNC(=O)CCc2ccccc2)CC1	814218258	BAXUIJJGWWJXJS-UHFFFAOYSA-N	317.433	1.958	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)COc2ccccc2O)s1	814951000	IHVFXNHKGRCDFJ-UHFFFAOYSA-N	301.327	1.854	50	20	DDGD	
CCCc1c(C(=O)NNc2cnnn2C)[nH]c(C)c1C(C)=O	816769613	PFBUQUIJZNWIPB-UHFFFAOYSA-N	304.354	1.364	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1ccc(C)nc1	818054021	LDPGHLMNHNSWEN-UHFFFAOYSA-N	314.345	1.272	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1c[nH]nc1-c1ccc(F)cc1	812451649	JBURYFNPPXFKKU-UHFFFAOYSA-N	317.324	1.191	50	20	DDGD	
Cc1ncc2n1CC[C@H](C(=O)NNc1cccnc1Cl)C2	810493456	CDDGTKPTCJERBS-JTQLQIEISA-N	305.769	1.946	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2nonc2C)cc1C	812723241	AJDKFRCESUHELV-UHFFFAOYSA-N	304.306	1.620	50	20	DDGD	
C[C@H]1Oc2ccccc2[C@H]1NC(=O)NNc1ncncc1F	814335004	DXVKDSOQELRXMG-PELKAZGASA-N	303.297	1.764	50	20	DDGD	
CC(C)C(=O)NNC(=O)CCCNc1ccc([N+](=O)[O-])cc1	726097514	HXGSGFCMICNZCN-UHFFFAOYSA-N	308.338	1.590	50	20	DDGD	
O=C(CN1CCCC1=O)NNc1cc(Cl)nc(Cl)c1	819741998	WKOQILVVHVOTTO-UHFFFAOYSA-N	303.149	1.454	50	20	DDGD	
COC(=O)[C@@H](C)Oc1ccc(C=NNC(=O)CC2CC2)cc1	814990596	VSUVCSVREOELCU-LLVKDONJSA-N	304.346	1.877	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H](C)[C@@H](C)COC)n1	812532625	AATOHTJGGKPXSQ-RYUDHWBXSA-N	309.414	1.685	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)C(F)(F)C(F)F	826446126	AQJAFWXFCWXQDH-UHFFFAOYSA-N	304.207	1.210	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C2=COCC2)ccc1OC(C)C	727764878	SMWHYWAWHQMKHW-UHFFFAOYSA-N	320.345	1.548	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)/C=C\[C@@H]2CCOC2)c1	493420570	ODQORCHFBXNHEJ-ZHRWSRJISA-N	303.362	1.106	50	20	DDGD	
Cc1cccc2sc(NNC(=O)C(=O)NCC(F)F)nc12	828362745	POAUMEHFOMPLNP-UHFFFAOYSA-N	314.317	1.429	50	20	DDGD	
O=C(/C=C\c1ccc2c(c1)OCO2)NNc1ncncc1F	492793041	CHVZZPBMMNGPOS-RQOWECAXSA-N	302.265	1.501	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1ccc(C(=O)OC)c(F)c1)C(C)C	491749224	USVCUPYMRFLCBP-CYBMUJFWSA-N	307.325	1.896	50	20	DDGD	
Cc1cccc2c1CCC2=NNC(=O)[C@@H]1CCS(=O)(=O)C1	729143244	LAVZGHYVALOREH-LLVKDONJSA-N	306.387	1.196	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H](C)C2CC2)o1	820202697	JXUCBWLDGRNFSO-ZETCQYMHSA-N	305.342	1.467	50	20	DDGD	
Cc1ccccc1NCCC(=O)NNC(=O)Cc1cccnc1	728891597	AVIQFIFDHLSZIU-UHFFFAOYSA-N	312.373	1.582	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CC1CC(F)(F)C1	825529301	FYKHTXSBRLBCLW-UHFFFAOYSA-N	312.316	1.821	50	20	DDGD	
C#Cc1ccc(C(=O)NN=c2sc3ccccc3n2C)cn1	728799124	KNEDUAIPIZOWQU-UHFFFAOYSA-N	308.366	1.862	50	20	DDGD	
C#CCN(CC)CC(=O)NNC(=O)c1cc(Cl)ccc1OC	490865537	DIDHSEQYNFUICP-UHFFFAOYSA-N	323.780	1.065	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@H](F)C(F)(F)F	822731850	PLMDXUHTQSFRRS-QMMMGPOBSA-N	312.194	1.956	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCc2ccn(C)c2)cc(C#N)n1C	490726950	WETJRVFTHHMGIR-GIDUJCDVSA-N	307.357	1.767	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(NC(=O)OC)c(F)c1	495239029	SPERHNINZZLUFB-UHFFFAOYSA-N	300.246	1.397	50	20	DDGD	
CC[C@@H](NC(=O)c1cccc(B(O)O)c1)[C@H](C)c1ccccc1	584956800	IDODIGFTKSDWGB-CXAGYDPISA-N	311.190	1.679	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1C(=O)NNC(=O)CNC(=O)OC(C)(C)C	496909353	PLUGVGHLIZPPSL-MNOVXSKESA-N	313.398	1.485	50	20	DDGD	
N#CSCCCNC(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F	822728453	STMXFIQKTWNCIZ-JGVFFNPUSA-N	309.313	1.022	50	20	DDGD	
Cc1ccnc(NNC(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1	822374479	YMFWSMZOSGNJNP-UHFFFAOYSA-N	310.321	1.719	50	20	DDGD	
C[C@H]1C[C@H](c2ccsc2)CN1C(=O)c1ccc(B(O)O)cc1	584949442	GKZGILCRHOESQV-FZMZJTMJSA-N	315.203	1.446	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCOc1ccc(Cl)c(F)c1	823907586	NJYQLXMBLHBLDR-SECBINFHSA-N	304.749	1.592	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)Nc1ccc(N(C)C)cc1)C(C)C	491011975	AMWKJUBLNZTIKP-CQSZACIVSA-N	317.393	1.746	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1CCc2ccsc2C1	827281631	ISGNAJSTGCQORD-MWLCHTKSSA-N	309.391	1.272	50	20	DDGD	
CO[C@@H](c1ccccc1F)[C@H](C)NCc1ccc(B(O)O)cc1	585032956	RXNSKPWRDFXEGH-YVEFUNNKSA-N	317.169	1.371	50	20	DDGD	
CN(NC(=O)c1cc([N+](=O)[O-])cnc1N)C(=O)OC(C)(C)C	496574582	WKDGTDGWSPABDR-UHFFFAOYSA-N	311.298	1.084	50	20	DDGD	
C[C@@H]1CN(C(=O)/C(C#N)=C\c2cnn(C)c2)C[C@@H](C2CC2)O1	491009957	LBPOWFBYSLUYQJ-OTYLIKBDSA-N	300.362	1.353	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)CNC(=O)OC(C)(C)C	496552498	UNYITWKMLHSTSO-JTQLQIEISA-N	301.387	1.341	50	20	DDGD	
O=C(NC1CCC2(CCCC2)CC1)c1cccc(B(O)O)c1	585005941	GZNLGLGLOOXKLX-UHFFFAOYSA-N	301.195	1.599	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNc1ccc([N+](=O)[O-])cc1C	839765429	QHRHMSSFHJNQIZ-NSHDSACASA-N	309.322	1.936	50	20	DDGD	
CSCCCCC(=O)NNC(=O)c1ccc2c(c1)OCCO2	739496336	HOGAXKTYUJOYOQ-UHFFFAOYSA-N	324.402	1.752	50	20	DDGD	
COC(=O)COc1ccccc1C=NNC(=O)C1CCOCC1	901276023	HNSACQVWGZGGPA-UHFFFAOYSA-N	320.345	1.115	50	20	DDGD	
CC(=NNC(=O)Cc1cn2ccccc2n1)[C@H]1C[C@H]2CC[C@H]1O2	834963594	QTJGGHAUQNTTBV-RBSFLKMASA-N	312.373	1.936	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CC[C@H](c3ccccc3)C2)c(F)c1	585035896	ZKYXYPHBZNGIBQ-WMLDXEAASA-N	313.181	1.931	50	20	DDGD	
CC1(c2ccccc2)CC(NC(=O)c2cccc(B(O)O)c2)C1	584986417	ZABRCEQNDVZBER-UHFFFAOYSA-N	309.174	1.217	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1ccc2nccn2c1	836416482	AGXFZSZZYCTMKQ-NSHDSACASA-N	303.322	1.056	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCCCCCCN)c1ccccc1	831263533	KYYWMHFKACDLDW-UHFFFAOYSA-N	320.437	1.814	50	20	DDGD	
CC(C)Cn1cc(C(=O)NNc2ccc(C(=O)O)cn2)cn1	833493761	IODKVNXMQRPODM-UHFFFAOYSA-N	303.322	1.389	50	20	DDGD	
Cc1ccc(C)c(C2=NO[C@H](C(=O)NNc3cnccn3)C2)c1	907478493	YJCYPUYGOSQMCL-AWEZNQCLSA-N	311.345	1.730	50	20	DDGD	
C[C@@]1(C(=O)NN2CCc3ccccc3C2=O)C[C@@H]1Br	907257370	NVLMZRXEHVTASC-SMDDNHRTSA-N	323.190	1.890	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1ccc(Cl)cc1	830763587	IBPSZZOOXPXEBB-OLZOCXBDSA-N	323.780	1.762	50	20	DDGD	
Cc1ccnc(NNC(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)c1	832983817	GWNSVFIAYXXCDQ-UHFFFAOYSA-N	316.273	1.753	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H](C)C#N)cc1	735836180	DNVHGSKYOKGQRF-WDEREUQCSA-N	305.334	1.160	50	20	DDGD	
CCOC(=O)N1CCC[C@@H]([C@H](C)NS(=O)(=O)CCl)C1	831154216	XYCKHFJZWYBWJU-VHSXEESVSA-N	312.819	1.359	50	20	DDGD	
CCS(=O)(=O)CC(C)=NNC(=O)c1cc2c(s1)CCC2	733745881	DLEGQKZODUWWSD-UHFFFAOYSA-N	314.432	1.777	50	20	DDGD	
O=C(NNC(=O)c1ccnc(C2CC2)n1)NC1CCCCC1	732653933	PHJVFNVRQIAMER-UHFFFAOYSA-N	303.366	1.631	50	20	DDGD	
CC[C@H](C)[C@H](NNC(=O)c1ccc(OC)cc1OC)C(=O)OC	905759245	JMSYIHYVKWYBFR-HZMBPMFUSA-N	324.377	1.526	50	20	DDGD	
OB(O)c1ccc(CN[C@H](CC(F)F)c2ccccc2)cc1	585048585	SVIWZHYAQXZMQX-OAHLLOKOSA-N	305.133	1.853	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Nc1nc(C)c(C)o1	731496783	LEJKLBIEYCNCQA-UHFFFAOYSA-N	304.306	1.767	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	837659559	YIBQBCWIIBVNIC-UHTWSYAYSA-N	316.357	1.000	50	20	DDGD	
CC(C)(C(=O)NNc1nc2ccccc2[nH]1)S(=O)(=O)C1CC1	839717401	VDTJVEVOLOVMSN-UHFFFAOYSA-N	322.390	1.362	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CCc1csc(C)n1	733108033	KFICMYQLQKOIHY-UHFFFAOYSA-N	319.386	1.854	50	20	DDGD	
O=C(Cc1ccc(Cl)c(F)c1)NNC(=O)[C@H]1CCCCO1	833236379	QYKPQEWQIQGPNO-GFCCVEGCSA-N	314.744	1.738	50	20	DDGD	
COc1ccc(NCC(=O)NN=CCCc2cnn(C)c2)cc1	834921200	TUYUFYZXSDBTET-UHFFFAOYSA-N	315.377	1.575	50	20	DDGD	
C[C@@H]1CC=C(C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1	838343678	YIXXRABVUUPMBE-GFCCVEGCSA-N	316.357	1.737	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(OC)c(Cl)c(OC)c1	839165477	KNICQIPZMPZJSB-UHFFFAOYSA-N	301.730	1.920	50	20	DDGD	
C[C@@H](OC[C@H]1CCCCO1)C(=O)NNc1ccc(C(=O)O)cn1	833535445	JCGUEPNZOINCGP-ZYHUDNBSSA-N	323.349	1.197	50	20	DDGD	
O=C(C[C@@H]1CCCOC1)NNc1cc(O)nc2ncccc12	913990350	IHEBYDPQNAKKMR-JTQLQIEISA-N	302.334	1.595	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)Cc1ccc(F)cc1)C1CC1	836489668	SYKVXJLDBCLDQL-CYBMUJFWSA-N	309.341	1.124	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)OCCO[C@H]2CCCCO2)cn1	837971495	PBQJZIAQOJCXFT-CZAWJFPGSA-N	305.334	1.413	50	20	DDGD	
CO[C@H](C)CCC(=O)NNc1ncc(Br)cn1	848322297	WLBSQLAHKREXDK-SSDOTTSWSA-N	303.160	1.497	50	20	DDGD	
C[C@H](CN)NC(=O)NNc1ccc(Br)c(F)c1	841968633	CQMUAEGTWCLISR-ZCFIWIBFSA-N	305.151	1.562	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1ccc(N2CCOCC2)s1	842556885	OIOQMRDVTKEUCQ-YPMHNXCESA-N	323.418	1.460	50	20	DDGD	
Cn1ccnc(NNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1=O	747941785	OKYRCDNYHBZQRF-UHFFFAOYSA-N	323.696	1.099	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2	910180808	OEYIXSDJMZDMNT-DTWKUNHWSA-N	309.391	1.077	50	20	DDGD	
CC[C@](O)(CC(=O)NNc1nccc(OC)n1)c1ccccc1	840262305	VRIZCYGLMJMXOS-INIZCTEOSA-N	316.361	1.616	50	20	DDGD	
Cc1cn(C)nc1C(=O)Nc1cccc(NC(=O)NN(C)C)c1	843871966	ULYDKWHPLIICEJ-UHFFFAOYSA-N	316.365	1.579	50	20	DDGD	
CC(=O)N(C)CC(=O)NNc1ccc(Br)cc1C	748732687	XSBUINCETFADES-UHFFFAOYSA-N	314.183	1.679	50	20	DDGD	
O=C(Cc1cc(-c2ccccc2)on1)NNC(=O)c1ccncc1	746091514	BBYBOUWUABRGGV-UHFFFAOYSA-N	322.324	1.740	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCCC1=NNC(=O)c1ccc(O)cc1	741451774	OHJCDZOVXXGLNS-CYBMUJFWSA-N	310.375	1.465	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=C1CCN(C)[C@H](C)C1	741455013	JXOOVKKSRPBISY-GBJTYRQASA-N	324.469	1.318	50	20	DDGD	
C[C@@H](C(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1)C1CC1	748133193	MPNBQYBKPDPDDU-SECBINFHSA-N	324.764	1.690	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1nccn1CC(F)(F)F	842557027	PWOHARYRRACGHY-DTWKUNHWSA-N	304.272	1.321	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2csc([N+](=O)[O-])c2)n1	917540647	RRFZXBFFRDNDIY-UHFFFAOYSA-N	307.335	1.620	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(-n2cccc2)cc1	843645861	INOXLDMLAWQPSI-IUODEOHRSA-N	313.357	1.663	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc2scnc2c1	910200699	FYQLAGYWIWEHJG-QMMMGPOBSA-N	321.358	1.399	50	20	DDGD	
CC(=O)N1CCC(C(=O)NNc2nc3ccccc3n2C)CC1	848378429	QWMYMDPPIFTAEN-UHFFFAOYSA-N	315.377	1.275	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc2ccncc2s1	843662116	RIAFBNARHQBGSD-WPRPVWTQSA-N	305.359	1.482	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=C1CCC(=O)Nc2ccccc21	842560401	GKCORNNZORHIMJ-WDEREUQCSA-N	301.346	1.664	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843661727	NPLOVZIMZMNKDF-UISBYWKRSA-N	309.366	1.357	50	20	DDGD	
CCN[C@H](C)CNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	841985337	JXTIXDUHMUQLIV-GFCCVEGCSA-N	320.437	1.926	50	20	DDGD	
CCOC(=O)Cn1ccc(NC(=O)NNc2ncccc2C)n1	847248944	RRGJADLUKXECBH-UHFFFAOYSA-N	318.337	1.298	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C	745136359	ZASNWHQPGMLLFN-AWEZNQCLSA-N	318.377	1.700	50	20	DDGD	
O=C(Cc1ccncc1)NN=C(CO)c1ccc(F)cc1F	749621829	NGWZSRYFQYWNSB-UHFFFAOYSA-N	305.284	1.415	50	20	DDGD	
CC(C)(C)OC(=O)CSCC(=O)NNC(=O)c1ccccc1	741170813	XBNHSPMTBUJQAM-UHFFFAOYSA-N	324.402	1.523	50	20	DDGD	
CSSCCNC(=O)c1ncccc1S(C)(=O)=O	840446316	PFAKWZYXKXOMOR-UHFFFAOYSA-N	306.434	1.226	50	20	DDGD	
CC(C)O[C@]1(C(=O)NN=C2CCCN3CCCC[C@@H]23)CCOC1	848412971	GXWRHNOCTDZFIA-DOTOQJQBSA-N	323.437	1.691	50	20	DDGD	
CNC(=O)NNC(=O)[C@@H](C)Cc1ccc(OC(F)(F)F)cc1	840284424	WPQQIRFKDPMOIW-QMMMGPOBSA-N	319.283	1.724	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](CN)C2CCCCC2)o1	841940651	SKAQRSWEMDGCGJ-GFCCVEGCSA-N	308.382	1.440	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(C(=O)NC(C)C)cc1	756091966	XCTBOHODVDPAMW-UHFFFAOYSA-N	322.365	1.014	50	20	DDGD	
C[C@@H]1Cc2ccccc2C1=NNC(=O)C(=O)Nc1ccccn1	758386799	AZNKGELXYMSRQM-LLVKDONJSA-N	308.341	1.733	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1cnn(C(C)C)c1	853387972	WGBJCXALSDSBOH-CABCVRRESA-N	319.409	1.167	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)c1cnc2n1CCC2	855053407	GBNRSNRZYAHMLT-UHFFFAOYSA-N	323.154	1.139	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)c1ccc(OC)c(OC)c1	755039765	TUPUFYJBCBTUJL-SNVBAGLBSA-N	310.350	1.137	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCOCN2)c1C	928953977	TZNMMJFYAPXRRT-OQLLNIDSSA-N	302.378	1.743	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCc1ccc(O)cc1	750324136	CETDAYNWPNQYRL-UHFFFAOYSA-N	313.357	1.855	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)C(=O)N2CCCC2)C[C@H]1C	758115491	FEJMODKMRKMCNW-YPMHNXCESA-N	323.393	1.080	50	20	DDGD	
COc1ccc(C#N)cc1NC(=O)NNC(=O)CC(F)(F)F	756273570	HOTMHGIXKPABRM-UHFFFAOYSA-N	316.239	1.672	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H]2CCCC[C@H]2O)C[C@H]1Br	856951938	HTKZYAJZDPKPBT-DNRKLUKYSA-N	305.216	1.763	50	20	DDGD	
CNC[C@H](C)NC(=O)NNC(=O)c1cc2c(s1)CCCCC2	851680654	JZAIEIRXMVNBDL-JTQLQIEISA-N	324.450	1.569	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1cccc2[nH]ccc12	755583998	ILQZPCNUIWDHRU-CYBMUJFWSA-N	314.389	1.586	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCc2c1cccc2[N+](=O)[O-]	759855324	ZXQBTLTYPXNMFZ-UHFFFAOYSA-N	320.349	1.151	50	20	DDGD	
C[C@H]1C[C@@H](C)CN([C@H]2CCCCC2=NNC(=O)CN(C)C)C1	751526040	LNSNKOWVHAVMHT-LZWOXQAQSA-N	308.470	1.941	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC(C)(C)[C@H]1c1cccnc1	854041798	RCJSPRQGWSKAJJ-CQSZACIVSA-N	304.394	1.268	50	20	DDGD	
Cc1ccc(F)c(CC(=O)NNC(=S)N[C@H](C)C2CC2)c1	855096770	YPKKJOZRVLPYGZ-SNVBAGLBSA-N	309.410	1.970	50	20	DDGD	
O=C(C[C@@H]1CCC(=O)N1)NNc1cc(Cl)nc(Cl)c1	854989890	CPRHARYYPJLHSC-LURJTMIESA-N	303.149	1.500	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@]2(C)CC=CCC2)c1O	857012693	QOKXYEYDGHBJIE-MRXNPFEDSA-N	304.346	1.908	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1ccn(-c2ccccc2)n1	755483620	NCVHXBPDOBXMBZ-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
Cc1cnc2nc(C(=O)OC[C@@H](C)CBr)nn2c1	850320384	HJOSLOACGHADBE-ZETCQYMHSA-N	313.155	1.621	50	20	DDGD	
Cc1cc(C)cc(CC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c1	854516711	PPOKQKQAVWKTJP-OAHLLOKOSA-N	324.446	1.338	50	20	DDGD	
CNC(=O)C1(C(=O)NC[C@@]2(C)C[C@@H]2Br)CCC1	857399921	YEKVFKLVZBVNPA-GZMMTYOYSA-N	303.200	1.192	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H](Oc1ccccc1)C(C)(C)O	854162401	HHXIWQZFAVMERU-GFCCVEGCSA-N	324.377	1.761	50	20	DDGD	
CCCC[C@@H](C(=O)NNC(=O)C(=O)NC(CC)CC)C(C)C	857712571	QLSLHEHNTIMSLZ-CYBMUJFWSA-N	313.442	1.901	50	20	DDGD	
C[C@]1(CNS(=O)(=O)c2cccnc2)C[C@@H]1Br	856754612	KXPYUDXHOTUIRQ-VHSXEESVSA-N	305.197	1.533	50	20	DDGD	
CN1C(=O)CC[C@@H]1CC(=O)NNc1cc(Cl)nc(Cl)c1	854988827	LFXONKBJFIPWIJ-MRVPVSSYSA-N	317.176	1.842	50	20	DDGD	
O=C(COC1CCCCC1)NNC(=O)c1cccc(Cl)n1	857326593	XTIRHNCOSXKXKE-UHFFFAOYSA-N	311.769	1.845	50	20	DDGD	
C[C@@]1(CNC(=O)COC2CCOCC2)C[C@H]1Br	857396632	FSVDNJPCGMQMKK-PWSUYJOCSA-N	306.200	1.472	50	20	DDGD	
CCCNC(=O)CCNC(=O)NC[C@]1(C)C[C@@H]1Br	856827332	PVJGMGFTBSQGOX-CABZTGNLSA-N	320.231	1.375	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cnn(C[C@H]2CCCO2)c1	756738316	FLYHMVOLPIMXER-GFCCVEGCSA-N	309.370	1.261	50	20	DDGD	
COc1cc(/C=C(\C#N)S(=O)(=O)N(C)C)c(Cl)cc1O	865223687	KOCVAKPJTMBDMP-RUDMXATFSA-N	316.766	1.810	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(C3CC3)nc2O)nc1	935536861	QHIMFXCZOLREFX-UHFFFAOYSA-N	300.318	1.825	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)C(F)(F)F	862307785	PTOPLFKWSWESIS-CPCISQLKSA-N	319.258	1.890	50	20	DDGD	
COCCN(C)NC(=O)c1nc(C)ccc1Br	935910614	LWGYUSPGEKNIJN-UHFFFAOYSA-N	302.172	1.376	50	20	DDGD	
C[C@H](NNC(=O)C(C)(C)NC(=O)OC(C)(C)C)C(F)(F)F	862308568	FVTIUDUZFBYKDF-ZETCQYMHSA-N	313.320	1.861	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@@H](O)CCc2ccccc2)c1	764993686	UWANTSUQUWXJPL-INIZCTEOSA-N	323.352	1.313	50	20	DDGD	
CN(NC(=O)NCCS(=O)(=O)CC1CC1)c1ccccc1	765958618	CSZLTCMNYAEMDE-UHFFFAOYSA-N	311.407	1.162	50	20	DDGD	
Cc1cccc(Cl)c1NC(=O)NNC(=O)c1cnccn1	768003049	XXRNXLRDPQXVSF-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
C[C@@H](NNC(=O)c1cccc(CS(C)(=O)=O)c1)C(F)(F)F	862305914	YPCVDDUJHBAVIH-MRVPVSSYSA-N	324.324	1.416	50	20	DDGD	
Cc1nc(C)c(NC(=O)C(=O)NNC(=O)CC(C)(C)C)s1	764197923	ISMZAQZDHBMDEV-UHFFFAOYSA-N	312.395	1.282	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=O)NCC2CC2)c1C1CC1	765684104	LGLDCWFUXZNJKP-UHFFFAOYSA-N	305.382	1.525	50	20	DDGD	
CSCc1cccc(NC(=O)C(=O)NNC(=O)C2CC2)c1	763561722	JQHYOQISQPJTOL-UHFFFAOYSA-N	307.375	1.046	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)NC2CCCC2)cc1O	865038485	QJTUTGNLDMXLEX-UHFFFAOYSA-N	307.350	1.216	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C2CCC2)cnn1C1CCOCC1	766889410	TUXJJMVPGXNFNF-UHFFFAOYSA-N	306.366	1.104	50	20	DDGD	
O=C(NCCc1cn2c(n1)SCC2)NNc1ccc(F)cc1	768524141	KSVRXGIFCNZHGJ-UHFFFAOYSA-N	321.381	1.997	50	20	DDGD	
CC(C)SCC(=O)NNC(=O)CSc1ccccc1O	764043766	WDNNJNRRUFUYDN-UHFFFAOYSA-N	314.432	1.773	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(CC)CCNC(=O)OC(C)(C)C	862708863	XCPOIJCBZIPKQS-QXMHVHEDSA-N	311.382	1.804	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)c1cncn1-c1ccccc1)C(C)C	1116631967	VCFFGBMCFFGQHK-CQSZACIVSA-N	316.361	1.304	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1csc(-c2ncccc2F)n1	768946829	CNUQZYGIYYPAJY-UHFFFAOYSA-N	309.326	1.260	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc2c(OC)nccc12	879852048	SXOMQWZUWFZPSF-UHFFFAOYSA-N	304.350	1.858	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1cccc(F)c1	771867512	KRXXDRNUQVICAS-LLVKDONJSA-N	324.352	1.493	50	20	DDGD	
CCCCn1cc(CNC(=O)NNC(=O)C(C)(C)C)c(C)n1	773548744	VKJOBSYKKJDFBE-UHFFFAOYSA-N	309.414	1.868	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CC(=O)OC[C@H](C)CBr	770363469	VPYNPWLJBJGYDB-SSDOTTSWSA-N	320.143	1.674	50	20	DDGD	
CCC[C@H](CC)C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1	877998922	JRRVODRVQHHSHG-MJBXVCDLSA-N	313.442	1.459	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)/C=C2/SCC(=O)N2C)cc1	873798921	QMFLZPUIAQGUEK-RIYZIHGNSA-N	319.386	1.057	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)[C@@H](F)Cc1ccccc1	778505623	HHMYXXCIIXYDFL-JTQLQIEISA-N	300.297	1.377	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCc2ccc(NC(C)=O)cc2C1	874521060	LOMVNKADUSDULW-RVDMUPIBSA-N	313.357	1.974	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H]1CCNC12CCC2	877003680	XZUNPQQTXTUWPO-LBPRGKRZSA-N	310.829	1.753	50	20	DDGD	
CCNC(=O)NNC(=O)Cn1nc(C(F)F)cc1C1CC1	874194186	DGBZIFYOVFVALV-UHFFFAOYSA-N	301.297	1.048	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1ccc(OC(F)F)cn1	776147936	OBQMLDFVXDAKJN-UHFFFAOYSA-N	315.667	1.883	50	20	DDGD	
COc1ccc2[nH]c(C)c(C(=O)NNC(=O)NC3CC3)c2c1	1116338484	VTWAIEQYFIKUKC-UHFFFAOYSA-N	302.334	1.591	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cnc(Oc2ccccc2)cn1	773285587	OCDWLXBTMYNARO-UHFFFAOYSA-N	315.333	1.623	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C1(c2ccc(N(C)C)cc2)CC1	1117701802	BFJIFFNDYPEGTD-UHFFFAOYSA-N	320.462	1.688	50	20	DDGD	
N#CSCCCNC(=O)[C@@H]1CCCN(CC(F)(F)F)C1	774296668	ICHUWPJHGJLEDH-SNVBAGLBSA-N	309.357	1.981	50	20	DDGD	
COc1ccncc1NC(=O)C(=O)NNc1c(F)cccc1F	773708491	FCWFDPLALKRCSR-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
C[C@H](CBr)COC(=O)Cc1nc2ncccn2n1	770341598	ULABDTOKPDICDG-MRVPVSSYSA-N	313.155	1.241	50	20	DDGD	
Cc1cc(C)c(CC(=O)NNc2nnc(C)c(O)n2)c(C)c1	774263040	MAZCGLZPLONWQU-UHFFFAOYSA-N	301.350	1.497	50	20	DDGD	
COCCc1ncc(C=NNC(=O)Cc2nc(C)cs2)s1	872338947	RXKGZBNFPXSHGA-UHFFFAOYSA-N	324.431	1.790	50	20	DDGD	
COCCOc1ccc(NC(=O)NNC(=O)C(C)C)cc1F	770337879	BBKUIRHDXWUWJX-UHFFFAOYSA-N	313.329	1.660	50	20	DDGD	
CO[C@@H]1CCC[C@H]1CNC(=O)NNC(=O)c1cccc(C#N)c1	774698809	FLUQIQLMMIUKCS-UONOGXRCSA-N	316.361	1.317	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C1(C#N)CC(C)C1	772191190	OSEMBGOSXAGKOI-LOIXOFCESA-N	309.366	1.051	50	20	DDGD	
C[C@@H]1[C@@H](C(=O)NNC(=O)c2nc3ccccc3s2)C1(F)F	1123976077	NCJZYYITAXKJIR-MUWHJKNJSA-N	311.313	1.959	50	20	DDGD	
Cc1ccccc1C[C@@H](C)NC(=O)NNC(=O)C1CCOCC1	883155249	DPTVFERQUXJZCD-CYBMUJFWSA-N	319.405	1.683	50	20	DDGD	
CC(C)Cn1[nH]c(CC(=O)NNc2cc(F)ccc2F)cc1=O	885145704	BTIJDSDTPTVCJF-UHFFFAOYSA-N	324.331	1.796	50	20	DDGD	
Cc1nn(C(C)(C)C)cc1C(=O)NNC(=O)C1CCOCC1	883068072	GUWPPIAYSAHBBQ-UHFFFAOYSA-N	308.382	1.134	50	20	DDGD	
Cc1cc(C)cc(C(=O)NNc2nc(O)c3cnn(C)c3n2)c1	770980237	OACMBWUCVJSVMW-UHFFFAOYSA-N	312.333	1.443	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)COC2(C)CCC2)cc1C	773250803	ICYVBFBDZJBTFF-UHFFFAOYSA-N	320.389	1.789	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@@H](C)NC(=O)OC(C)(C)C	887144470	NZPNUKMFCVUQIM-LLVKDONJSA-N	311.382	1.241	50	20	DDGD	
CC1(C)CNC[C@H]1NC(=O)NNc1cc(F)c(F)cc1F	1120578651	GETIVJVJKHAPFK-LLVKDONJSA-N	302.300	1.728	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1[nH]c(-c2ccccc2)nc1C	780708072	AKTCKUHDUHWXJH-UHFFFAOYSA-N	301.350	1.691	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=S)NC(C)(C)C)c1ccccc1	899995151	JSSJOMUWKYLIER-HNNXBMFYSA-N	309.435	1.842	50	20	DDGD	
O=C(CCCn1c(=O)oc2ccccc21)NN=c1cc[nH]cc1	780757022	QNJJICOUXVWKEG-UHFFFAOYSA-N	312.329	1.335	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1CCOc2c(F)cccc21	896782944	GCHMRYDOISEMLL-LLVKDONJSA-N	311.313	1.016	50	20	DDGD	
CCCCNC(=O)NNC(=O)C(F)(F)c1ncccc1C	787192399	CXZWQJLKWSHHHF-UHFFFAOYSA-N	300.309	1.612	50	20	DDGD	
CCOC(CCNC(=O)NNC(=O)CC(C)(C)C)OCC	786907856	NZSRYZJJWSWEFM-UHFFFAOYSA-N	303.403	1.542	50	20	DDGD	
CC(C)[C@H](F)C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	784155989	MFKRXLPWORGRID-ZDUSSCGKSA-N	322.315	1.971	50	20	DDGD	
CC(=NNC(=O)[C@H]1COc2ccccc2O1)[C@]1(C)CCCO1	782113940	GCQOKPWYVYFVKA-ZBFHGGJFSA-N	304.346	1.888	50	20	DDGD	
Cc1nnc(NNC(=O)CCc2cnc3ccccc3c2)nc1O	792632705	OIQXJLRHZVSRGW-UHFFFAOYSA-N	324.344	1.510	50	20	DDGD	
O=C(/C=C/c1ccc(Cl)s1)NNC(=O)C1CCOCC1	894097838	RDFNHEHJBTXWIY-DUXPYHPUSA-N	314.794	1.989	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)C(=O)Nc1cccc(Cl)n1	793018946	ZOIBNNKNZRZMNL-UHFFFAOYSA-N	318.720	1.135	50	20	DDGD	
CCOc1cccc(NC(=O)NNc2nc3ccccn3n2)n1	792365710	PJDNSGGBQIDQMX-UHFFFAOYSA-N	313.321	1.672	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)C1CCCC1)CN1CCCC1	790711851	VOWWVUGKEBXRPN-UHFFFAOYSA-N	310.442	1.629	50	20	DDGD	
COc1ccc(CC(=O)NNc2cc(C#N)cc(Cl)n2)nc1	790008862	XTNYYMBGOXAROD-UHFFFAOYSA-N	317.736	1.696	50	20	DDGD	
Cc1cccnc1NNC(=O)C[C@@H]1Oc2ccccc2NC1=O	791215462	RPVQRVMLJQNSKJ-ZDUSSCGKSA-N	312.329	1.623	50	20	DDGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)C(C)(C)O	792479900	SPUVECHGDDLDNF-NSHDSACASA-N	316.357	1.525	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC2(CCOCC2)CC1	792933215	GVKKLGSKZFJQOK-UHFFFAOYSA-N	311.426	1.073	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCCn2ccnc2C)cc1	1318155915	XJIFYODKJBLADF-UHFFFAOYSA-N	316.361	1.442	50	20	DDGD	
CNc1ccc([N+](=O)[O-])cc1C(=O)NNc1ncc(F)cn1	1324521312	UGFCDHUTMUNACT-UHFFFAOYSA-N	306.257	1.323	50	20	DDGD	
CC(C)(Oc1ccccc1)C(=O)NNC(=O)[C@@H]1CCCCO1	1324514487	HHLLYNKGORWSEF-ZDUSSCGKSA-N	306.362	1.561	50	20	DDGD	
O=C(CCO)NN=C1CCOc2c(Cl)cc(Cl)cc21	1322318346	BPLDBOUCPLOSJH-UHFFFAOYSA-N	303.145	1.979	50	20	DDGD	
C[C@@H](C(=O)NNc1ccccc1S(C)(=O)=O)n1cccc1	1253831573	GUHDCMDUXDAFEQ-NSHDSACASA-N	307.375	1.596	50	20	DDGD	
COCc1cccc(NC(=O)C(=O)NNc2cc(C)ncn2)c1	1338667431	XEZIWIWYMVWBDV-UHFFFAOYSA-N	315.333	1.013	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ccc(C(F)F)nc2)c1Cl	1261776208	JEMRDMPTRBRLGC-UHFFFAOYSA-N	314.683	1.802	50	20	DDGD	
C[C@H](CNC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br)C1CC1	1347941305	PHSRXRGDMGSOLG-ZDSQKVDBSA-N	317.227	1.438	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)C2CCNCC2)cc1Cl	1348510641	IXMCMGVCOYCNLA-UHFFFAOYSA-N	310.785	1.801	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](C)c2ncccc2C)o1	1523520390	RKRDQIVFKFYMJB-NSHDSACASA-N	302.334	1.997	50	20	DDGD	
CCC[C@@H](C=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)OC	1609204497	FZMHVGMYKGDCCI-LBPRGKRZSA-N	302.338	1.397	50	20	DDGD	
CC(C)C[C@@H](C)NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1603259561	MDZYBJMQNKUIQJ-SECBINFHSA-N	304.358	1.322	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NC[C@]1(C(=O)O)CCOC1	1601045827	QEINCXAWTPBFBX-JQPKSGMCSA-N	318.304	1.340	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccc(-c3cn[nH]c3)cn2)nc1	1602383626	UNOGVDOLRKZATQ-UHFFFAOYSA-N	324.300	1.322	50	20	DDGD	
Cn1cnc(/C=C/C(=O)NNc2ccc(C(=O)O)c(F)c2)c1	1600990107	KNLXXQJJOUEKRA-HWKANZROSA-N	304.281	1.414	50	20	DDGD	
O=C(NNc1ccc(F)cn1)c1ccc(-c2nn[nH]n2)s1	1606861239	PFCQRKRHGIIUGL-UHFFFAOYSA-N	305.298	1.219	50	20	DDGD	
O=C(O)CCc1ccccc1C(=O)NNC(=O)C1CCCC1	1608740808	UPLTYXBRNLIRAO-UHFFFAOYSA-N	304.346	1.655	50	20	DDGD	
O=C(O)c1coc(C(=O)NNC(=O)c2cc3c(s2)CCC3)c1	1610867440	JRRAPFSVFRUCGE-UHFFFAOYSA-N	320.326	1.603	50	20	DDGD	
CCOCC(C)=NNC(=O)[C@H]1CCCO[C@H]1c1nccn1C	1549308138	DPZAMYJPRPAPGE-QWHCGFSZSA-N	308.382	1.416	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C[C@H]1CCCO[C@@H]1c1nccn1C	1552448598	CVTUMOYLUAPXRR-YPMHNXCESA-N	316.365	1.335	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C=NNC(=O)[C@@H]1CCCO1	1552455010	VBHIRUSNLONBBO-KWCYVHTRSA-N	306.366	1.169	50	20	DDGD	
CNNC(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1	1578744715	MHSVRRGWAINTNN-CYBMUJFWSA-N	321.446	1.750	50	20	DDGD	
CC1(C)CNC[C@H]1C(=O)NNc1nc(C(F)(F)F)cs1	1576472655	DEUIMRKRDHDGNS-LURJTMIESA-N	308.329	1.851	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)Cc2cnc[nH]2)C1	1843344911	NLJUYIDDQWVKTL-LBPRGKRZSA-N	324.812	1.173	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC2(CC1)C[C@H]2C(=O)O	1590701639	NFNPWRHYQVVOOZ-JTQLQIEISA-N	323.842	1.768	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1[nH]c2ccccc2c1CC(=O)O	1590939560	ZONRJIXDDHASGP-UHFFFAOYSA-N	303.318	1.212	50	20	DDGD	
Cc1cccc(NNC(=O)Nc2ccc(-c3nn[nH]n3)cc2)n1	1592235211	HWDRVCSJVMRJHE-UHFFFAOYSA-N	310.321	1.719	50	20	DDGD	
COc1ccccc1CCC(=O)NNc1ncccc1C(=O)O	1594145140	GRORXKCZELZEQE-UHFFFAOYSA-N	315.329	1.864	50	20	DDGD	
CO[C@@H]1CCN(C[C@H](CBr)C2CC2)[C@@H](C(=O)O)C1	1599125729	RRDLJOSZKHSUER-QJPTWQEYSA-N	320.227	1.972	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNc2ccccc2C(=O)O)c1	1598992076	GODUEYSATBUWKF-UHFFFAOYSA-N	314.297	1.928	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccc(C(=O)O)c2)cc1	1599484579	YQEVHSJXYBQZGX-UHFFFAOYSA-N	314.297	1.468	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)c2ncc(-c3nn[nH]n3)cc2C)c1	1591954585	UJZWEXFSBPGJTM-UHFFFAOYSA-N	323.360	1.944	50	20	DDGD	
Cc1cccc(NNC(=O)c2cn(CC(=O)O)nn2)c1Cl	1594408413	IITNYMFTGZILAM-UHFFFAOYSA-N	309.713	1.081	50	20	DDGD	
CC/C=C(\C)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1590535377	PCRZZXGGAYFJNW-SOFGYWHQSA-N	305.342	1.778	50	20	DDGD	
CC(=NNC(=O)c1cccc(C(=O)O)c1)c1ccc(O)nn1	1776095735	QNFWXFGFJMPNPY-UHFFFAOYSA-N	300.274	1.034	50	20	DDGD	
O=C(O)c1coc(C=NNC(=O)c2cc([N+](=O)[O-])ccc2O)c1	1776044574	ZDOAFYLDKUKDLJ-UHFFFAOYSA-N	319.229	1.356	50	20	DDGD	
Cc1nsc(C=NNC(=O)Cc2cccnc2)c1C(=O)O	1776043041	BKLNSYGFBLKFEF-UHFFFAOYSA-N	304.331	1.238	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC1(F)F)[C@@H](F)Cl	1797733156	ASJXYVKKKHNRJC-CVPUBMOQSA-N	324.730	1.814	50	20	DDGD	
CC[C@H](C(=O)NNc1ccc([N+](=O)[O-])cc1)N1CCCC1=O	150884065	HKYNWVYFYSCJGY-GFCCVEGCSA-N	306.322	1.439	50	20	DDGD	
O=C(CCC(=O)NC1CCCC1)NNc1cccc([N+](=O)[O-])c1	161056757	WSKQMVOIGKPDSS-UHFFFAOYSA-N	320.349	1.877	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Cc1cccc2ccccc12)N(C)C	161171042	BYOQLOMDIOPKQH-MRXNPFEDSA-N	313.401	1.870	50	20	DDGD	
COc1ccnc(NNC(=O)c2nc3ccccc3s2)n1	161671278	SOPVROFFTKGEGX-UHFFFAOYSA-N	301.331	1.852	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)c1cc(C)n[nH]1)c1ccccc1	151183735	IKHHUYTZNJOFQM-ZDUSSCGKSA-N	302.334	1.257	50	20	DDGD	
Cc1cc(C(=O)NNc2ncccc2[N+](=O)[O-])cc([N+](=O)[O-])c1	153067497	IKZYNOIJGNAPDU-UHFFFAOYSA-N	317.261	1.963	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2CCn3ccnc3C2)cc1	155815486	NPZBBQYMZBJSDF-CQSZACIVSA-N	312.373	1.469	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CCC(=O)NNc1ccc(C#N)cc1	155431064	NPRYZQWWMXPCPF-UHFFFAOYSA-N	314.305	1.505	50	20	DDGD	
O=S(=O)(CBr)N1CC[C@H](c2ccncc2)C1	867471862	WJJUCJAPAKKOMD-JTQLQIEISA-N	305.197	1.553	50	20	DDGD	
O=C(NN=C1CCN(C(=O)OCc2ccccc2)C1)C(F)F	496927490	SWWXMYKXCXZQMD-UHFFFAOYSA-N	311.288	1.766	50	20	DDGD	
C[C@@H](Cc1cccs1)NC(=O)NNC(=O)Cc1cccnc1	103509299	XKPYORUXSWKFAI-NSHDSACASA-N	318.402	1.647	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1cc([N+](=O)[O-])c[nH]1	23915218	NYYWZSNJQBBNCD-UHFFFAOYSA-N	302.290	1.317	50	20	DDGD	
CN(C)c1ccc(CCNC(=O)NNc2ncccn2)cc1	102027256	RMGHLVNBIXDRFK-UHFFFAOYSA-N	300.366	1.411	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cccc(OC2CCCC2)c1	113426018	UBYZPCXKVUVQRM-UHFFFAOYSA-N	305.378	1.331	50	20	DDGD	
CC1(C)[C@H]2CN(C(=O)NNC(=O)COCc3ccccc3)C[C@H]21	173229636	FTWXTWHGGUBUJE-OKILXGFUSA-N	317.389	1.532	50	20	DDGD	
CCOCC(=O)NNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1	108906366	CDCOGKYZATWCBQ-UHFFFAOYSA-N	306.297	1.013	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccccc1C(=O)NCCOC	25199174	BNLCWQPOGSOYOH-VAWYXSNFSA-N	317.345	1.445	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)Cc2c(C)nn(C)c2C)o1	175837026	VRPLBRMKIIKEIN-VIFPVBQESA-N	318.377	1.578	50	20	DDGD	
O=C(Cc1ccccc1)NNC(=O)c1cc(Br)c[nH]1	26862361	KXVZPKZLJHLXPK-UHFFFAOYSA-N	322.162	1.781	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNC(=O)c1cccc(N(C)C)c1	68498979	UTNLRDMRLSQJCB-GFCCVEGCSA-N	307.394	1.719	50	20	DDGD	
COCCNC(=O)NNc1c(F)cc(F)cc1Br	173933207	YHWLAMBIZDASDE-UHFFFAOYSA-N	324.125	2.000	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)nc(C)n1	172373401	CWGSHMUWIKEZDZ-ZUZCIYMTSA-N	314.345	1.765	50	20	DDGD	
CCCc1noc(CCCC(=O)NNc2ncc(F)cn2)n1	123113334	HICIKPIYCSBSEZ-UHFFFAOYSA-N	308.317	1.417	50	20	DDGD	
CN(NC(=O)c1ccccc1C(=O)c1ccc(F)cc1)C(N)=O	181092071	UUJHZLJMEZGYSQ-UHFFFAOYSA-N	315.304	1.712	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1cccc(N2CCOC2=O)c1	182536960	UWXRYRGCGSPQJW-UHFFFAOYSA-N	316.292	1.934	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)Cc1ccc(F)cc1	70780132	FVRIDBHLYOOKQG-RISCZKNCSA-N	324.352	1.100	50	20	DDGD	
C[C@@H](C1CC1)n1cc(NC(=O)NNC(=O)c2ccncc2)cn1	189755226	MFWJALVNAFIMKJ-JTQLQIEISA-N	314.349	1.716	50	20	DDGD	
O=C(CCSc1ccc(F)cc1)NNC(=O)[C@H]1CCCO1	32257930	VHXXKDTWSXNMTK-GFCCVEGCSA-N	312.366	1.634	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2cc(C)ccn2)cc1	184258685	LAKXMYWLXUJVSY-UHFFFAOYSA-N	314.345	1.930	50	20	DDGD	
COC[C@H](C)n1ccc(NC(=O)NNC(=O)c2ccccc2)n1	189856782	ZYFIXSKEBGSLAK-NSHDSACASA-N	317.349	1.557	50	20	DDGD	
CC(=O)NNC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2	44901848	GVADRFSTMWDSRS-UHFFFAOYSA-N	320.299	1.420	50	20	DDGD	
CC(C)(C)n1cc(NC(=O)C(=O)NNc2ccccc2)cn1	185214114	LJZPMPMNRVHPOZ-UHFFFAOYSA-N	301.350	1.720	50	20	DDGD	
Cc1nc(CC(=O)NNc2nc3ccccc3c(=O)[nH]2)cs1	137223054	AVWLNMVBYFXWST-UHFFFAOYSA-N	315.358	1.374	50	20	DDGD	
O=C(CCCc1cccs1)NNC(=O)Cc1ccncc1	81027988	VMVASMLGXKJZQG-UHFFFAOYSA-N	303.387	1.856	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1ccc([N+](=O)[O-])c(Cl)c1	138172465	SXSUZOJXKVUGSE-UHFFFAOYSA-N	308.681	1.651	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)NC[C@H]1C[C@H]1C	47099146	MPGXHOUOGDJSIJ-VXGBXAGGSA-N	321.377	1.451	50	20	DDGD	
O=C(NNc1nc2ccccc2c(=O)[nH]1)[C@@H]1CC12CCOCC2	137168636	HWLPSSILCBMGAW-NSHDSACASA-N	314.345	1.183	50	20	DDGD	
COc1ccc(Cl)cc1/C=C/C(=O)NNC(=O)C(C)(C)O	190071071	BLBQHJXKUOFIJS-QPJJXVBHSA-N	312.753	1.280	50	20	DDGD	
C[C@H]1CSCCN(C(=O)NNC(=O)Cc2cccnc2)C1	192325161	ULQDSHXMLYWYGR-LLVKDONJSA-N	308.407	1.050	50	20	DDGD	
CC(=O)CC(C)(C)CC(=O)NNC(=O)COc1cccc(C)c1	191662046	JPLNGUINPXRHDL-UHFFFAOYSA-N	320.389	1.917	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cc(Cl)c(Cl)[nH]1	194899180	MFDXALWTNVBCNE-UHFFFAOYSA-N	307.137	1.008	50	20	DDGD	
O=C(CSCc1cccnc1)NNC(=O)NC1CCCCC1	194436451	XDPDVCQKXZYJLD-UHFFFAOYSA-N	322.434	1.978	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccc(C#N)cc2)c(O)c1	195183100	PKQNXROFXNGFKI-UHFFFAOYSA-N	309.325	1.576	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2CCCO2)c(-c2ccccc2)n1	91095417	QJSRAZSSNNFYDP-ZDUSSCGKSA-N	314.345	1.027	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)n1	249518820	JBUUZQSWFFBMHC-RXGFPQBGSA-N	317.393	1.936	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1ccc(F)cc1	254442348	XRCZXEBCWOTHCP-UHFFFAOYSA-N	303.293	1.689	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)o1	255905714	UPNXZGKFPQKQDP-UITAMQMPSA-N	315.285	1.971	50	20	DDGD	
O=C(NCc1ccnc(N2CCCC2)c1)NNC(=O)C1CCC1	264770934	WCTNDORHOZWCCC-UHFFFAOYSA-N	317.393	1.312	50	20	DDGD	
O=C(NCCn1cncn1)NNc1ccc(OC(F)F)cc1	263821845	KCPHWHZQMSTFRA-UHFFFAOYSA-N	312.280	1.206	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNc1nc(-c2cccnc2)no1	263944622	ILPNOPFLJQIDBG-JTQLQIEISA-N	305.338	1.780	50	20	DDGD	
CCC(=O)N[C@@H](CCSC)C(=O)NNc1cccc(F)c1	269601935	YUHZHLCLTWPVHP-LBPRGKRZSA-N	313.398	1.917	50	20	DDGD	
COC[C@H](NC(=O)NNc1nccc(OC)n1)c1ccco1	266961978	OPKLSJNLKYUJIO-VIFPVBQESA-N	307.310	1.092	50	20	DDGD	
CC(C)(C)C(=O)Nc1ccccc1C(=O)NNC(=O)NC1CC1	264978860	IEAZYRVJBYJXAG-UHFFFAOYSA-N	318.377	1.778	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Cc1nnc(C)o1)c1ccccc1	264681216	KSNAKIHHVIWTPM-GFCCVEGCSA-N	302.334	1.262	50	20	DDGD	
C=C[C@@](C)(CCOC)C(=O)NNc1nc(-c2cccnc2)no1	275799154	ONEMBHGGLPMFOE-HNNXBMFYSA-N	317.349	1.804	50	20	DDGD	
COC[C@@H](NC(=O)NNc1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1	279766745	SEYKMZJNPCVJGJ-OLZOCXBDSA-N	324.337	1.415	50	20	DDGD	
CC1CCC(OCC(=O)NNC(=O)CNc2ccccc2)CC1	279888342	BORCNUHFYJFASQ-UHFFFAOYSA-N	319.405	1.841	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](CO)COC)c1C	279949773	IYKJGFBIQYCFFU-AHQMPEJBSA-N	319.405	1.545	50	20	DDGD	
CC(=O)CC(C)(C)CC(=O)NNC(=O)COc1ccccc1O	276412861	BINJARYDEMILHO-UHFFFAOYSA-N	322.361	1.314	50	20	DDGD	
CSSCCNC(=O)N1C[C@@H](C)O[C@@]2(CCCOC2)C1	375218092	KAQFXTXRJIXCTD-YPMHNXCESA-N	320.480	1.977	50	20	DDGD	
O=C(CCOCC(F)F)NNc1cccc(F)c1[N+](=O)[O-]	279747280	KUSGWRBSXCMBHI-UHFFFAOYSA-N	307.228	1.849	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCCN2CCC[C@H]2C1	373324039	ZPFVGCDRJQRGTM-SFKKXYGYSA-N	311.385	1.996	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H]1COCCN1CC)c1ccccc1	371421836	AVYIISKTCDDRDV-CABCVRRESA-N	319.405	1.048	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1cc(C2CC2)no1	281703173	NWZDAKGQXDHFAL-UHFFFAOYSA-N	315.329	1.530	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H]1CCc2nccn2C1	373942245	DEEJZLUVEQSFLY-GFCCVEGCSA-N	313.361	1.607	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@@H]1CCN2CCC[C@@H]2C1	373933670	NEQDWKQYGYVPIK-ZIAGYGMSSA-N	302.378	1.257	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc2c(OC)ccc(F)c2[nH]1	281249375	QCRRTWOCULZQES-UHFFFAOYSA-N	308.313	1.622	50	20	DDGD	
Cn1ncc2c1CCC[C@H]2NC(=O)NNc1cccc(F)n1	286580745	JSYOJMNXMZSZHT-SNVBAGLBSA-N	304.329	1.658	50	20	DDGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NNC(=O)c1ccccc1C	285161883	SOYZTFVIROQSOP-HZMBPMFUSA-N	305.378	1.307	50	20	DDGD	
CC(=O)NCCCNC(=O)NNc1ccc2c(O)nccc2c1	286966049	CGVLIGLCELPWBS-UHFFFAOYSA-N	317.349	1.093	50	20	DDGD	
CC[C@H]1C[C@@H](C(=O)NNc2ccc(-n3ccnc3)nn2)CCO1	286781240	XDACMCVCDUUHGY-RYUDHWBXSA-N	316.365	1.311	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Nc1ccccc1C)N1CCCC1=O	281076883	FPUAQFXOWZJTFC-ZDUSSCGKSA-N	318.377	1.549	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=O)CNc2ccc(C)cc2)o1	295446971	PUVMKFKZDPQUMZ-UHFFFAOYSA-N	316.361	1.727	50	20	DDGD	
COCCCCNC(=O)NNC(=O)COc1ccc(C)cc1	298654865	DFLWZPIZDTXNBT-UHFFFAOYSA-N	309.366	1.131	50	20	DDGD	
CC(C)ONC(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	297059282	VVDQWZIOZQPRRA-SECBINFHSA-N	315.757	1.778	50	20	DDGD	
O=C(C[C@H]1CCCc2ccccc21)NNC(=O)[C@@H]1CCCO1	292113255	JGGILBLNVCISSS-HIFRSBDPSA-N	302.374	1.823	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)ccc1O)c1cnc(S)[nH]1	800688380	WMQXJCNCRMOEPP-UHFFFAOYSA-N	312.738	1.132	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C[C@@H]1CC[C@@H](C)C1	807369769	JNUCOZPYPXZZGV-VXGBXAGGSA-N	300.399	1.749	50	20	DDGD	
C[C@@H]1CSC[C@H]1NC(=O)NNC(=O)COCc1ccccc1	805142897	ZIJSQDCAHXOZNK-DGCLKSJQSA-N	323.418	1.285	50	20	DDGD	
CN1CCCC[C@@H]1C(=O)NNC(=O)Nc1ccc(Cl)cc1	802014170	JHCLRZNBGHNWGY-GFCCVEGCSA-N	310.785	1.977	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1c[nH]c2c(F)cc(F)cc2c1=O	806476575	BGPTVCGHMMATIN-UHFFFAOYSA-N	323.299	1.613	50	20	DDGD	
O=C(NN=C1CCC[C@@H]1CCCF)[C@H]1CCS(=O)(=O)C1	800809778	WXGQDZDFTHTGRJ-MNOVXSKESA-N	304.387	1.443	50	20	DDGD	
CSSCCNC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C	803477460	BYOLAFRNDHQUSJ-ZETCQYMHSA-N	318.386	1.817	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1c[nH]nc1-c1ccccc1	295562286	MWMKHEXVVSNJEV-CYBMUJFWSA-N	314.345	1.407	50	20	DDGD	
CSSCCNC(=O)N1CCO[C@@H](C(F)(F)F)C1	807232039	TUSVPYCFUMIEED-SSDOTTSWSA-N	304.359	1.970	50	20	DDGD	
COc1ccnc(NNC(=O)Cc2cccc(Cl)c2F)n1	810090726	VSZBYTCCEYGXBC-UHFFFAOYSA-N	310.716	1.964	50	20	DDGD	
CN(NC(=O)CSc1nnc(-c2cccs2)n1C)C1CC1	819647499	NKUHXKDNWZYKMI-UHFFFAOYSA-N	323.447	1.761	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)C1(C(F)F)CCCC1	813559196	YWUYXEYLQNEKRK-UHFFFAOYSA-N	303.231	1.705	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)CNc1ccccc1F	811631066	JZSFPQHORISXRI-LLVKDONJSA-N	306.341	1.398	50	20	DDGD	
CC[C@@H]1CN(C(=O)NNC(=O)c2cccc(C)n2)C[C@@H](CC)O1	817166514	BNLZHKDCIRZOEW-CHWSQXEVSA-N	320.393	1.634	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cc(O)ccc1Cl	816565434	ONGFCIHGPWQPOE-UHFFFAOYSA-N	311.647	1.552	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1cc(C(=O)O)ccc1C	814956868	GJPWTNMTGHFVSF-UHFFFAOYSA-N	300.318	1.499	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NOC/C=C\Cl	811979133	GNMMEHAJRFDZDD-DAXSKMNVSA-N	313.741	1.252	50	20	DDGD	
O=C(NN=C[C@H]1CCCOC1)c1nnc(O)c2ccccc12	814739895	GJUCYVGXHZKJJG-SNVBAGLBSA-N	300.318	1.478	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1c[nH]nc1-c1c(F)cccc1F	816632972	HOQGRMAKYNCMIW-UHFFFAOYSA-N	305.248	1.230	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CC[C@@H]2CNc3cccc1c32	814761522	ZHLROZZZVQAXJV-LLVKDONJSA-N	312.373	1.432	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)NCCc1cccs1	812534834	PRXMXKICVCZRQJ-GHMZBOCLSA-N	313.423	1.540	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@H]2CC[C@H](C3CCC3)CC2)cn1	828088374	VLQJWNOSHKXQBW-JOCQHMNTSA-N	304.394	1.788	50	20	DDGD	
C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NNC(=O)c1ccc[nH]1	823327819	IWAKTSVDIUPQLT-NSHDSACASA-N	324.340	1.291	50	20	DDGD	
Cn1cc(-c2nn[nH]n2)cc1C(=O)NNc1ccc(F)cc1	822645530	BTHGDDCAFQJMEA-UHFFFAOYSA-N	301.285	1.101	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc3ccccc3c2)CO1	825674302	DFCFRDXAVLRVAC-IAQYHMDHSA-N	313.357	1.961	50	20	DDGD	
CCN(CC)CCCCNC(=O)/C(C#N)=C\c1cnn(C)c1	491136540	WDNDTVOYCZRGDL-GDNBJRDFSA-N	303.410	1.565	50	20	DDGD	
COC(=O)Nc1cc(NC(=O)NNc2cnccn2)ccc1F	494658140	FAHYCISRTJFRGZ-UHFFFAOYSA-N	320.284	1.943	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@@H]1CCCC(F)(F)C1	826710154	HHGDVZIEGLCJKZ-AXFHLTTASA-N	319.352	1.567	50	20	DDGD	
CCNC(=O)COc1ccc(C=NNC(=O)OCC)cc1OC	490620385	YDBZIHVCMNWRTP-UHFFFAOYSA-N	323.349	1.290	50	20	DDGD	
Cc1ccc(C(=O)C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1	826281060	BMRMOOPMTBMAMC-UHFFFAOYSA-N	322.328	1.501	50	20	DDGD	
O=S(=O)(CCl)NC[C@H](c1ccco1)N1CCCCC1	820768558	SLLDASFJRKPPFC-LLVKDONJSA-N	306.815	1.922	50	20	DDGD	
CC(C)(C=NNC(=O)c1ncccn1)NC(=O)OC(C)(C)C	496589164	SNGWTNUBYJGQIJ-UHFFFAOYSA-N	307.354	1.496	50	20	DDGD	
COC(=O)c1ccc(O)c(C=NNC(=O)c2ccc(N)cc2)c1	726737297	DFYMFBDLVJLDOT-UHFFFAOYSA-N	313.313	1.525	50	20	DDGD	
CCOC[C@@H](C)CS(=O)(=O)NN(C)C(=O)OC(C)(C)C	496654881	LGNUGSSWQYICEH-SNVBAGLBSA-N	310.416	1.360	50	20	DDGD	
COC[C@@H](OC)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	822388396	ZJYLLINUIKOOAP-SNVBAGLBSA-N	303.702	1.353	50	20	DDGD	
O=C(Cc1ccccc1O[C@H]1CCOC1)NNC(=O)C1CCC1	825797481	XRTZESWFSKOZIE-AWEZNQCLSA-N	318.373	1.344	50	20	DDGD	
C[C@@H](OCCc1ccccc1)C(=O)NNC(=O)NCC1CC1	822785944	IVCCOEOHVAZXOW-GFCCVEGCSA-N	305.378	1.375	50	20	DDGD	
C[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)[C@@H]1C[C@H]2CC[C@H]1C2	584926865	FBEJGXVENQBHCS-BLFANLJRSA-N	305.158	1.060	50	20	DDGD	
Cc1ccc(C(=O)NN(C)[C@@H](C)CO)cc1Br	823951613	LLYFCAJILLXAIS-VIFPVBQESA-N	301.184	1.715	50	20	DDGD	
CCCN(NC(=O)CS(=O)(=O)C(C)C)C(=O)OC(C)(C)C	497071014	INDCBNZOFNFVKS-UHFFFAOYSA-N	322.427	1.488	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CC[C@H](c3ccncc3)C2)cn1	491046990	IAYHXVICXGWKNB-CRNMQVKPSA-N	307.357	1.738	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NOCC1CCC1	824055552	OHMCDSLMLYIWJH-UHFFFAOYSA-N	307.350	1.265	50	20	DDGD	
CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NNC(=O)C(C)C	728018945	YHIGGDIQWCTPME-YAEJEKNGSA-N	313.423	1.048	50	20	DDGD	
CCOc1ccc(OCC)c(NC(=S)NNC(=O)NC)c1	726903559	ZNNYWAQXEQESBG-UHFFFAOYSA-N	312.395	1.614	50	20	DDGD	
CC(C)COC[C@H](O)CNC(=O)[C@]1(C)C[C@H]1Br	907010371	QJHYLDPFQOEBBC-CKYFFXLPSA-N	308.216	1.310	50	20	DDGD	
CC[C@]1(O)CCN(C(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)C1	490907002	FYLPSOPMZKGQEF-VRXKTSEUSA-N	312.373	1.486	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCCc3cc(F)ccc32)c(F)c1	585029840	JNLONMFRDKNTLN-KRWDZBQOSA-N	317.144	1.812	50	20	DDGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C)[C@H](C)O	490974748	OBSLNCAJHFBMFC-LWAZWVBVSA-N	300.362	1.388	50	20	DDGD	
CCN(CCO)NC(=O)c1nnn(-c2ccccc2Cl)c1C	823856270	OTROUQXOJONPCQ-UHFFFAOYSA-N	323.784	1.188	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCc2c(O)ncnc2C1	491052200	VEUBUHJQESEXBN-GHXNOFRVSA-N	322.324	1.380	50	20	DDGD	
O=C(O)CSCC(=O)NNc1ccc(OC(F)F)cc1	821537527	UORBBMHIXGTWOM-UHFFFAOYSA-N	306.290	1.549	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)COC2	826448742	JHNSYEQXFKQUAO-UHFFFAOYSA-N	322.328	1.654	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)[C@H]1C[C@@H]1C1CC1	495352043	JFEKGROWMWCRSH-MNOVXSKESA-N	311.382	1.095	50	20	DDGD	
COc1ccc(Cl)cc1NCC(=O)NN(C)[C@H](C)CO	823965138	JCUURSDNXKLSSX-SECBINFHSA-N	301.774	1.104	50	20	DDGD	
C=CCCNC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	820771998	YBMADEYPHIJZKS-ZDUSSCGKSA-N	305.378	1.977	50	20	DDGD	
COc1cccc([C@@H](OC)C(=O)NNc2nccc(OC)n2)c1	821482410	ZCTPMVFPMDYIIQ-CYBMUJFWSA-N	318.333	1.325	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1c(C)cc(OC)cc1C	496619979	BEMZJOSTWNDWEE-UHFFFAOYSA-N	302.352	1.204	50	20	DDGD	
NC(=O)C1(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1	731598001	ZYSNOCIUPIYGLE-UHFFFAOYSA-N	319.405	1.006	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNc1cccc(Br)n1	495877819	RNPNRMJCIFPGAB-LURJTMIESA-N	317.143	1.032	50	20	DDGD	
Cc1ncccc1C=NNC(=O)NCCNC(=O)OC(C)(C)C	491377783	DMORPWHBJHXUSQ-UHFFFAOYSA-N	321.381	1.548	50	20	DDGD	
C[C@H]1CC[C@H](C)C(=NNC(=O)Cc2cc(O)nc(S)n2)C1	834936636	BABFQIQQRLPMAT-IUCAKERBSA-N	308.407	1.942	50	20	DDGD	
O=C(NCB(O)O)c1cc(-c2ccccn2)nc2ccccc12	585060420	QZFCZAACMWEMBG-UHFFFAOYSA-N	307.118	1.039	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NCCC(C)(C)O)cc1	836408116	RTRUWXJZHVLFIB-UHFFFAOYSA-N	310.354	1.192	50	20	DDGD	
O=S(=O)(CCl)N[C@H]1CCCN(c2cccc(F)c2)C1	830540136	QHVONZJRFUTSHG-NSHDSACASA-N	306.790	1.910	50	20	DDGD	
CC(C)OC(=O)[C@@H](NS(=O)(=O)CCCCCl)C(C)C	832224457	CEIRMJOIJAOOGG-NSHDSACASA-N	313.847	1.901	50	20	DDGD	
CCC[C@H](NCc1ccc(B(O)O)cc1)c1nnc2ccccn12	585032958	SAKPICPBQZBUCD-HNNXBMFYSA-N	324.193	1.040	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1cccc([N+](=O)[O-])c1)C1CCOCC1	834914476	PPCOZPNSXGFLAO-AWEZNQCLSA-N	321.333	1.752	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H]2CCn3ccnc3C2)cc1	838561504	IEFQHGUDQBAHDP-ZDUSSCGKSA-N	315.377	1.923	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCC(CC(F)(F)F)CC1	584987076	HCBMRCRFZWMTFR-UHFFFAOYSA-N	315.100	1.171	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)c1cc2ccccc2o1	837454211	FKTIEYYYMQQPRY-MVWJERBFSA-N	312.325	1.809	50	20	DDGD	
O=C(O)COc1ccc(C=NNC(=O)O)cc1Br	831815309	GEPJLGZDBSKTMT-UHFFFAOYSA-N	317.095	1.514	50	20	DDGD	
CN(CCc1cccc(NCc2ccc(B(O)O)cc2)c1)C1CC1	585035661	WMGBGOJJLWDCKD-UHFFFAOYSA-N	324.233	1.615	50	20	DDGD	
O=C(NN=C1CCCS(=O)(=O)C1)c1ccc(Cl)nc1	731925665	PVAHFPMLRCGRHG-UHFFFAOYSA-N	301.755	1.029	50	20	DDGD	
CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cc(B(O)O)ccc1F	584962463	GWVSNDOXFIFRSB-ABAIWWIYSA-N	307.174	1.546	50	20	DDGD	
COCCC[C@@H](Cc1ccccc1)NCc1ccc(B(O)O)o1	585039861	ZDUMIPUGEOCQQP-HNNXBMFYSA-N	317.194	1.087	50	20	DDGD	
CC[C@H](C)[C@@H](C=NNC(=O)[C@H]1COc2ccccc2O1)OC	834917353	AHHLMELNYDBQOX-NILFDRSVSA-N	306.362	1.990	50	20	DDGD	
C[C@]1(c2cccs2)C[C@H]1CNCc1ccc(B(O)O)cc1	585024425	XNNBETRNSTZLFQ-BBRMVZONSA-N	301.220	1.495	50	20	DDGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)NCC(=O)O)cc1	832928505	TYRLJPCASUDSPQ-DELQEKLWSA-N	316.313	1.035	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCOc3ccccc32)c(F)c1	585016531	PKJJNUJYGSOWCU-OAHLLOKOSA-N	301.126	1.119	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)cc1)[C@@H]1CCCN(C2CCC2)C1	585033955	DEQAETZQITZNDY-GOEBONIOSA-N	316.254	1.109	50	20	DDGD	
CC(=O)c1ccc(OCCCC(=O)N2CC[C@@H](B(O)O)C2)cc1	585076868	ZXCJKVXSBMADSW-CQSZACIVSA-N	319.166	1.124	50	20	DDGD	
CC(F)(F)CCNC(=O)NNc1ccccc1S(C)(=O)=O	836504995	FKMXOOFKCJSXBC-UHFFFAOYSA-N	321.349	1.762	50	20	DDGD	
O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1cc(B(O)O)ccc1F	584951139	IMDXYHQSMAWYEY-DMDPSCGWSA-N	305.158	1.204	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COc2ccccc2O)c1	730779684	CMGJIGFKPTYREO-UHFFFAOYSA-N	300.314	1.541	50	20	DDGD	
CC(C)Cn1ncc(NCc2ccc(B(O)O)o2)c1C(C)C	585034131	ISPFSOXSKJVATK-UHFFFAOYSA-N	305.187	1.547	50	20	DDGD	
CCCN1CCC[C@H](C(=O)NNC(=S)NCC2CCC2)C1	912100696	DFBMABDJSZSFJX-ZDUSSCGKSA-N	312.483	1.404	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1csc(-c2ccc(O)cc2)n1	910166606	BVHVDXJUJWIBDN-VIFPVBQESA-N	307.375	1.473	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	831677918	NNDCBVVZUMHSSU-ONGXEEELSA-N	322.321	1.481	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2)c1ccc2ccccc2n1	837305290	RMFWNIOMQGCLNO-UHTWSYAYSA-N	323.352	1.611	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)[C@@H]1C[C@H]2CC[C@@H]1O2	837537159	DLMOPVCDGZIUOO-BBBLOLIVSA-N	312.167	1.855	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)[C@H]1CCC[C@@H](C(=O)O)C1	833183754	JFJJAMOHZOZRBG-NWDGAFQWSA-N	313.357	1.991	50	20	DDGD	
Cc1cc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)c(C)[nH]1	917576633	FWCJGFMNWOVZQL-UHFFFAOYSA-N	309.333	1.371	50	20	DDGD	
COCCOC[C@@H](C)NC(=O)NNc1c(F)cccc1F	745865004	ZWGZZIPNIQNRDW-SECBINFHSA-N	303.309	1.642	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC2CCCC2)nn1C(C)(C)C	744053121	BZVREKUPPKGNDR-UHFFFAOYSA-N	307.398	1.833	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CC2(CCN2Cc2ccccc2)C1	910781195	QZPCEKHDZFTAPH-VBKFSLOCSA-N	311.385	1.917	50	20	DDGD	
O=C(COc1ccc(F)cc1)NN=C1CCCn2ccnc21	848403517	WPOLOLMBAGYVFZ-UHFFFAOYSA-N	302.309	1.715	50	20	DDGD	
CO[C@@H](C=NNC(=O)COc1ccc(C#N)cc1)[C@H]1CCOC1	841607553	WHFFDKOWJOKVTR-ZFWWWQNUSA-N	317.345	1.091	50	20	DDGD	
CC(C)Cn1nccc1C(=O)NNC(=O)Cc1ccc(F)cc1	843754897	UCFXFZGGYZISQY-UHFFFAOYSA-N	318.352	1.682	50	20	DDGD	
O=S(=O)(CCl)NC[C@@H](OC1CCCC1)C(F)(F)F	849426702	WNYUJPDRIVFZQK-MRVPVSSYSA-N	309.737	1.992	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H](CN1CCCC1)c1ccccc1	910157280	QKPSNVRBCKXTGR-GOEBONIOSA-N	305.422	1.210	50	20	DDGD	
N=[S@](=O)(O)c1ccc(C(=O)NNC(=O)c2ccncc2)cc1	912769111	YIMFJTANMMUVPS-UHFFFAOYSA-N	320.330	1.035	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)[C@H]1CC12CCOCC2	748838539	NIWNJRHMVBYADP-LLVKDONJSA-N	322.336	1.169	50	20	DDGD	
CC[C@@H](C#N)C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	845087368	IHTKNKPMCPQDSC-OLZOCXBDSA-N	303.362	1.768	50	20	DDGD	
C[C@]1(C(=O)Nc2csc(C(N)=O)c2)C[C@H]1Br	913720171	BZABXFBNENLFQH-XCBNKYQSSA-N	303.181	1.959	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)Cn2nc(C)cc2C)c(O)c1	916343197	PHXIDPFVWCCUNF-UHFFFAOYSA-N	316.361	1.755	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)Cn2ccc(C)n2)cc1	846375537	FAAXPMNPFIOCGU-UHFFFAOYSA-N	302.334	1.050	50	20	DDGD	
COc1ccccc1/C(C)=C/C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843649900	YKYZTHZVULGAQW-KCHUQEOMSA-N	318.373	1.671	50	20	DDGD	
CCCN1CCC[C@H](C(=O)NNC(=O)c2cccc(Cl)n2)C1	912507231	JJTQVKCXYZXOSQ-NSHDSACASA-N	324.812	1.618	50	20	DDGD	
CC(C)c1cc(C(=O)NN(C)C[C@@H](C)O)nn1-c1ccccc1	910160589	LFJNYPWIVRQIQJ-CYBMUJFWSA-N	316.405	1.953	50	20	DDGD	
CC(C)=CCOc1cccc(CC(=O)NNC(=O)C(C)(C)O)c1	841427066	NQFKMOKWJJQNHR-UHFFFAOYSA-N	320.389	1.492	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1ccc([S@@](C)=O)cc1	746368197	BHWVILDQTSNQIR-OAQYLSRUSA-N	302.359	1.368	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccncc1C(F)(F)F	844553785	XHOUXNOGMCSDFM-SNVBAGLBSA-N	317.267	1.431	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1ccc(Cl)nc1	748779863	FLQXSUDAYZNJLI-LLVKDONJSA-N	310.785	1.153	50	20	DDGD	
Cc1cc(O)cc2c1C(=O)C(=NNC(=O)NC1CCCC1)O2	743531222	LENDAJLBWIQGRM-UHFFFAOYSA-N	303.318	1.831	50	20	DDGD	
Cc1ccc(C)c(NC(=O)NN(C)C(=O)N2CCNCC2)c1	840999727	JLLXCYRSEUFWEG-UHFFFAOYSA-N	305.382	1.297	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccc(S(C)(=O)=O)cc1	842555807	LGNNPFAVZOPRHE-BXUZGUMPSA-N	324.402	1.355	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNC(=O)COc1ccccc1F	841376626	WJPBWXJYRBFUQW-ZDUSSCGKSA-N	312.341	1.413	50	20	DDGD	
Cc1cc(C)cc(CCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	843660671	KTSNNIOBNYLTIE-UKRRQHHQSA-N	304.390	1.808	50	20	DDGD	
CON(C)C(=O)[C@@H](C)NC(=O)NNc1ccc(F)cc1Cl	923481500	ZVVKYXABVLRCGY-SSDOTTSWSA-N	318.736	1.514	50	20	DDGD	
CN(C)c1nccc(NNC(=O)Cc2cccc(Cl)c2)n1	740107446	HTYUOZQEHQETPW-UHFFFAOYSA-N	305.769	1.882	50	20	DDGD	
CC(C)(C)CCCNC(=O)NNC(=O)C(=O)Nc1ccccn1	758801254	AFZFXUBYCDCKIT-UHFFFAOYSA-N	321.381	1.177	50	20	DDGD	
CCOCCOCCCC(=O)NN=c1cc[nH]c2ccccc12	857123495	LOOHNZHVJMIHQJ-UHFFFAOYSA-N	317.389	1.933	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)COc1ccccc1O)C1CC1	852595650	IXABWQURMVQGAG-NSHDSACASA-N	307.350	1.290	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1nc2ccccc2n1C	755766449	ZZDAPEFYOHRENX-LLVKDONJSA-N	304.350	1.075	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H](CN)C2CCCC2)C[C@H]1Br	857103578	LLOFPIDEBGQDAB-DMDPSCGWSA-N	318.259	1.977	50	20	DDGD	
CCN(C)C(=O)[C@H](C)NC(=O)NNc1ccc(F)cc1Cl	922157033	VCOWHHCMBYTPGV-QMMMGPOBSA-N	316.764	1.972	50	20	DDGD	
CN(C)C(=O)c1ccc(C=NNC(=O)c2ccc(O)cc2)[nH]1	752156008	VTAHGDRMWXEFSK-UHFFFAOYSA-N	300.318	1.186	50	20	DDGD	
COc1ccc(C=NNC(=O)CNC(=O)c2ccco2)cc1F	750936329	IGSYAHKGMTTWOU-UHFFFAOYSA-N	319.292	1.307	50	20	DDGD	
CC(=O)c1cccc(NC(=O)NNC(=O)CCCCCN)c1	857766373	LYUSRCCBPKQPOO-UHFFFAOYSA-N	306.366	1.561	50	20	DDGD	
N#Cc1ccccc1NC(=O)CCCC(=O)NNc1cccnn1	753098489	FRFVGOIUNMAUPR-UHFFFAOYSA-N	324.344	1.600	50	20	DDGD	
C#CCOc1ccc(NC(=O)NNC(=O)c2cccnc2)cc1	756479258	KKOIUDUCVXKBCZ-UHFFFAOYSA-N	310.313	1.560	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)c1csc(C)n1	750942911	BMRQOKZQBDNQBX-UHFFFAOYSA-N	322.415	1.783	50	20	DDGD	
Cc1ncc(CNC(=O)NC[C@@]2(C)C[C@@H]2Br)o1	856862717	AJZHDFXKTRIXIN-GXSJLCMTSA-N	302.172	1.956	50	20	DDGD	
CC[C@H](C)c1ccc(C(=O)NNC(=O)N2CCOCC2)cc1	755260215	GURVELCLGSCWMM-LBPRGKRZSA-N	305.378	1.887	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NNC(=O)c1cccc(F)n1	852302121	AQRIMCJYCVPOLI-GWCFXTLKSA-N	322.340	1.146	50	20	DDGD	
CCC(CC)[C@@H](C)C(=O)NN(C)C(=S)NCCCOC	854283158	KBOQOGNBCYJJPI-LLVKDONJSA-N	303.472	1.933	50	20	DDGD	
CCCNC(=O)/C(C#N)=C\c1cc2c(cc1[N+](=O)[O-])OCCO2	920387073	JXSZJFDXNAPXNK-WDZFZDKYSA-N	317.301	1.799	50	20	DDGD	
CCCCC(=O)NNC(=O)Cn1c(CC)nc2ccccc21	920495850	HOJNMAIYFBEZIU-UHFFFAOYSA-N	302.378	1.936	50	20	DDGD	
C=CCC1(NC(=O)/C(C#N)=C\c2cnn(C)c2)CCOCC1	855686807	VVQDVGBSUCDILP-ZROIWOOFSA-N	300.362	1.569	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccccc2F)c(=O)n(C)c1	757716363	RNVKFZHMPCKPFM-UHFFFAOYSA-N	318.308	1.299	50	20	DDGD	
CN(C)S(=O)(=O)CCC(=O)NNc1cc(F)cc(Cl)c1	855618445	GPCBJAXDVNHUOG-UHFFFAOYSA-N	323.777	1.204	50	20	DDGD	
O=C(CN1CCc2ccccc21)NNC(=S)NCC1CCC1	855092284	YBEREMFQPNEXRB-UHFFFAOYSA-N	318.446	1.345	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccnc2ccncc12)C1CC1	855099933	QNAKCAHCECHJAR-SECBINFHSA-N	315.402	1.537	50	20	DDGD	
CCn1nccc1CNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	856480207	ZMYMGCDBZPTOOI-AUWJEWJLSA-N	322.372	1.645	50	20	DDGD	
CCc1ncncc1C(=O)NNc1ccc(C(F)(F)F)nn1	755187904	VYIBZQFINWGYCY-UHFFFAOYSA-N	312.255	1.605	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)NC1CCN(C2CC2)CC1	851936356	MGZDGPNOHVDAJR-UHFFFAOYSA-N	309.801	1.988	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2cccc(F)n2)CCC1(F)F	852711093	ZHBQRRGILWJQKT-QMMMGPOBSA-N	316.283	1.552	50	20	DDGD	
CCOC(=O)[C@@H](CC(=O)NNc1ccc(C)c(F)c1)C(C)=O	856227578	FIVLYQGYOZLLSV-LBPRGKRZSA-N	310.325	1.736	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NC[C@]1(O)CCSC1	866909073	QNYXFKSTQLIJCV-SNVBAGLBSA-N	301.861	1.039	50	20	DDGD	
COc1ccc2c(c1)OC[C@H](C(=O)NN[C@H](C)C(F)(F)F)C2	862310117	YYYYHVMBPMMKPI-PSASIEDQSA-N	318.295	1.818	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=S)NCc1ccon1	764476224	BQNUPSAKUAGTCS-UHFFFAOYSA-N	320.374	1.008	50	20	DDGD	
O=C(CC1OCCCO1)NNc1nc2ccccc2[nH]c1=S	862293125	NHJKTZGGBHAIRF-UHFFFAOYSA-N	320.374	1.889	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1	868240959	KSWFUFPJCWFXTI-VXGBXAGGSA-N	321.377	1.643	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Nc1cc(OC)n[nH]1)c1ccccc1	861382025	UHWZACKFPDNIHW-LLVKDONJSA-N	317.349	1.765	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)C[C@H]1CCOC1	761622698	VZDZUDTZESVQQM-LLVKDONJSA-N	324.402	1.361	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNC(=O)c2ccc(Cl)cc2)n1	864421727	NGXMSAJWOMXTOS-SNVBAGLBSA-N	320.780	1.942	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1ccc(Br)cn1	864352310	ZSWVDNVXMKALKC-RMKNXTFCSA-N	310.151	1.904	50	20	DDGD	
Cc1nc([C@H]2COCCN2C[C@H](C)CBr)no1	770669390	VOKOKEFFCJAOTA-PSASIEDQSA-N	304.188	1.782	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)/C=C/CCc1ccccc1	869068904	XDBGPSSUXVMJBC-SSWZSUJXSA-N	302.374	1.748	50	20	DDGD	
O=C(NNc1cccnn1)C1CC(O)(c2cccc(Cl)c2)C1	860751564	FFDSJTYKLBHFRP-UHFFFAOYSA-N	318.764	1.871	50	20	DDGD	
Cc1nc(C)c(C=NNC(=O)CNC(=O)c2cccnc2)s1	763198682	IMDDAVFZFNZIJP-UHFFFAOYSA-N	317.374	1.035	50	20	DDGD	
CC[C@@H](C(=O)NNc1nnc(C)c(O)n1)c1ccc(F)cc1	764450618	SIFDHERIMGTZNW-LLVKDONJSA-N	305.313	1.662	50	20	DDGD	
CCN1CCN(c2ccc(NC(=O)NNC(C)=O)cc2)CC1	765112954	HSEWPYSVBMVZLP-UHFFFAOYSA-N	305.382	1.001	50	20	DDGD	
Cc1nc(C)c(NC(=O)C(=O)NNC(=O)c2ccccc2)s1	763430132	LHRLMVAHPRQNEQ-UHFFFAOYSA-N	318.358	1.160	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1ccc(O)c(F)c1	767321880	KATILAONHQXVDF-UHFFFAOYSA-N	323.349	1.780	50	20	DDGD	
CNC(=O)C1(NC(=O)[C@@H](Br)C(C)(C)C)CCCC1	767935359	SLHWIHFJCLYOOG-SECBINFHSA-N	319.243	1.971	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)COc1ccccc1CC)C1CC1	863851706	LWRFYWVJFAWSBS-MRXNPFEDSA-N	320.389	1.590	50	20	DDGD	
CCOC(=O)N1CCC[C@@H](C(=O)NN[C@H](C)C(F)(F)F)C1	862307427	KWZCFIZVYQEFBL-RKDXNWHRSA-N	311.304	1.427	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCc2cccc(F)c21	768550846	BSPZAXIZHREUSU-NSHDSACASA-N	307.369	1.770	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@](C)(OC)c1ccccc1F	760166712	NGCZJSQRFGKDAS-HNNXBMFYSA-N	311.357	1.818	50	20	DDGD	
Cc1cc(=NNC(=O)NCc2noc3c2CCCC3)cc[nH]1	875587588	OYAFINNZEUDPET-UHFFFAOYSA-N	301.350	1.505	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@@H]2Cc3ccccc3O2)n1	779971940	GXBXWCWJHZXMLF-LBPRGKRZSA-N	314.345	1.720	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)Nc1cccc2cc[nH]c12	773497631	WFCQJWOXLJHJOD-UHFFFAOYSA-N	300.318	1.054	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1	878896525	ZGUVWFRXBPWROM-UHFFFAOYSA-N	312.301	1.262	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2ccc(F)nc2)nc1C	778425117	LFOQZQSQIUPORO-UHFFFAOYSA-N	319.296	1.253	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1ccc(CN(C)C)cc1	872399786	DCRRMRYKPXOQQM-UHFFFAOYSA-N	307.394	1.251	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cnn(C2CCCCC2)c1	1116030725	JJWFTJWPMWIRLN-UHFFFAOYSA-N	305.382	1.742	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)[C@H]1CC(=O)N(C2CC2)C1	774778600	CEOPOMNVJHFLPM-JTQLQIEISA-N	311.345	1.084	50	20	DDGD	
O=C(NNc1cccc2cnccc12)[C@@H]1CCCCS1(=O)=O	773468375	NOEYAEYWDJJBFH-AWEZNQCLSA-N	319.386	1.645	50	20	DDGD	
CO[C@H](C(=O)NNc1nc2ccccc2c(=O)n1C)C(C)C	771354108	NHPRKKHSSSMDHB-LBPRGKRZSA-N	304.350	1.048	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H]2CCCc3sccc32)nc1O	771539667	FKTWDMLMAQGHQX-VIFPVBQESA-N	305.363	1.510	50	20	DDGD	
Cc1ccc([C@H](C)C(=O)NNc2nc(O)c3cnn(C)c3n2)o1	770970879	DTVJIWHBLCWDOC-QMMMGPOBSA-N	316.321	1.217	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H]1CCCCN(C)C1=O	873814770	OOTGPCABMCRVDW-ZDUSSCGKSA-N	303.362	1.015	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](N)c1ccc(C(F)(F)F)cc1	876884457	JKODMYHCTGGRDO-JTQLQIEISA-N	318.299	1.398	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CSc1ccccc1O	770903665	SJPDYZAPQWOLBQ-UWVGGRQHSA-N	310.375	1.057	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)c2cccc(F)c2O1	775846374	VXGWEWQTMNIVOH-SNVBAGLBSA-N	323.368	1.607	50	20	DDGD	
Cn1c(=NNC(=O)c2cnn3cccnc23)sc2ccccc21	883955211	TVYUELFBVPGGBT-UHFFFAOYSA-N	324.369	1.528	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1ccc2c(c1)COC2	770038914	GEAYBXCRZBOLPA-UHFFFAOYSA-N	305.378	1.983	50	20	DDGD	
CN(CC(=O)NNc1cc(F)ccc1F)[C@H]1CCSC1	885143141	VQZSYOCHMLLIRD-JTQLQIEISA-N	301.362	1.845	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)c1cccc(Cl)c1)[C@H]1CCCO1	773557211	FEDVIBPTGANZAC-CHWSQXEVSA-N	321.764	1.465	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1F)[C@@H]1CCc2nncn2C1	885106811	JGMBOMCSFXSIDV-MRVPVSSYSA-N	309.732	1.776	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1Oc2ccccc2O[C@H]1C	887140936	YLAOLNHEWLLIID-NHYWBVRUSA-N	302.330	1.166	50	20	DDGD	
COc1cccc2c1OC[C@@H](NS(=O)(=O)CCCCl)C2	881858593	MPQCNIABIXDIDL-NSHDSACASA-N	319.810	1.547	50	20	DDGD	
N#Cc1ccc(NNC(=O)N[C@@H]2CCN3CCC[C@@H]3C2)nc1	887754091	WLVVDWXBIUZJGP-CHWSQXEVSA-N	300.366	1.206	50	20	DDGD	
CNC(=O)C1(C(=O)OC[C@]2(C)C[C@@H]2Br)CCC1	1123141960	OMRNEWLKRZLKAW-KWQFWETISA-N	304.184	1.619	50	20	DDGD	
Cn1c(CNS(=O)(=O)CCCCl)nc2cc(F)ccc21	881908858	VIWPUGZKZBVEML-UHFFFAOYSA-N	319.789	1.761	50	20	DDGD	
COc1cccc(CC(C)=NNC(=O)c2sc(N)nc2C)n1	782900335	INGIPAWSPPLLSY-UHFFFAOYSA-N	319.390	1.786	50	20	DDGD	
O=C1CCCCN1CCCNS(=O)(=O)CCCCCl	780776968	VGUHMNPUDLDXOD-UHFFFAOYSA-N	310.847	1.327	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNc2nnc(-c3ccccn3)s2)CO1	788558567	PMVPSOONCDKRLQ-RKDXNWHRSA-N	305.363	1.468	50	20	DDGD	
CCC[C@H](CCCS(C)(=O)=O)C(=O)NNC(=O)C1CCC1	789942342	OZOHHJQWXQNYBX-LLVKDONJSA-N	318.439	1.175	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(O[C@@H]2CCOC2)cc1	788743748	UCEZYVGNSZEKQU-CYBMUJFWSA-N	307.350	1.208	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1c(O)cc(O)c(C)c1O	782188232	VLKHRLVUWZAYLK-UHFFFAOYSA-N	322.346	1.223	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NC[C@@H](O)C(F)(F)F	781098586	QOJIKHPWPXDONE-RITPCOANSA-N	306.122	1.835	50	20	DDGD	
CC(C)(CCNC(=O)N1C[C@H]2[C@H](Br)[C@H]2C1)C(=O)O	898841386	NEJMNJVFQPCZPZ-BRPSZJMVSA-N	319.199	1.522	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](F)C(C)C)cc1C	784146709	VEOFAWMKTSLACV-LBPRGKRZSA-N	309.341	1.383	50	20	DDGD	
COCc1cc(C(=O)NNc2cccc(C(=O)OC)c2)no1	780795927	UQLCZBNQYACDHE-UHFFFAOYSA-N	305.290	1.365	50	20	DDGD	
CCc1ccccc1C(=O)NNc1ccc(-n2ccnc2)nn1	788174869	NGZXKFXBVJZYIP-UHFFFAOYSA-N	308.345	1.982	50	20	DDGD	
O=C(CCSc1ccccn1)NNC(=O)C1CCOCC1	894103964	UILJJMIHXKSVBO-UHFFFAOYSA-N	309.391	1.138	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1nc2ccccc2n1C	790173165	FJWKLFMPBNBFOC-UHFFFAOYSA-N	314.393	1.254	50	20	DDGD	
C=CCNC(=S)NNC(=O)C(F)(F)c1ccc(F)cc1	798305076	HZELEBJKIVNYKN-UHFFFAOYSA-N	303.309	1.599	50	20	DDGD	
CCc1[nH]nc(C(=O)NNc2ccccn2)c1Br	790014044	RJDNQZGPPZSCNL-UHFFFAOYSA-N	310.155	1.887	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2cnnn2C)cc1C	799289832	NVNBOVNFJKEFCV-UHFFFAOYSA-N	304.379	1.063	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc(Cl)cn1C	793270128	CIOQVCVBDBTDPI-UHFFFAOYSA-N	318.830	1.166	50	20	DDGD	
COc1nccnc1NNC(=O)c1cccc([N+](=O)[O-])c1OC	795261755	ZBXPICIJZVCUOY-UHFFFAOYSA-N	319.277	1.159	50	20	DDGD	
O=C(COC(F)F)NNC(=O)c1cccc(OC(F)F)c1	796127388	UVKLJYYBFDOZIY-UHFFFAOYSA-N	310.203	1.288	50	20	DDGD	
Cn1ncc2c1C[C@H](C(=O)NNc1ncncc1Cl)CC2	798996289	WHXTZMABSOIBEL-MRVPVSSYSA-N	306.757	1.112	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H]2CCCC[C@H]2C1	1318507818	RSIYGLQGCMGLCE-CABCVRRESA-N	316.405	1.877	50	20	DDGD	
COc1ccc(C(=O)NNc2cncc(Br)c2)nn1	1319630714	KODUXOWGHLHHEK-UHFFFAOYSA-N	324.138	1.400	50	20	DDGD	
CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)CCl)cc1	1319921868	QNVGYFNNYXBIRW-UHFFFAOYSA-N	302.783	1.647	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(C)n(CC2CC2)c1C	1321137441	UXJPLJDGQILNSO-UHFFFAOYSA-N	306.435	1.810	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)N[C@@H]1CCC[C@@H](F)C1	1326297434	AQJYUIDHWGXNFM-CHWSQXEVSA-N	311.332	1.979	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H]1CCO[C@@H](c2ccccc2)O1	1327068254	KNSQWAYSDXRBKI-TZMCWYRMSA-N	323.418	1.394	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NCCC2(O)CCC2)nn1	1324915702	NNLMMNSMAGXIDY-UHFFFAOYSA-N	307.398	1.705	50	20	DDGD	
Cc1nc([C@@H](C)NC(=O)NNC(=O)c2ccccc2Cl)no1	1323886967	ZDCGFPBGRIUSLR-SSDOTTSWSA-N	323.740	1.737	50	20	DDGD	
Cc1ccc(C(=O)NNc2nc(O)c3ccccc3n2)c(O)n1	1332398179	BDOGEHVGGOQHLB-UHFFFAOYSA-N	311.301	1.501	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)Cc2cccnc2)c(C)n1	1336330543	MTOMCLDXIDEPCV-UHFFFAOYSA-N	301.350	1.000	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)NC2CCCCC2)c(C)n1	1262564988	YZRUUGVERKSBPA-UHFFFAOYSA-N	307.398	1.878	50	20	DDGD	
Cc1cccc(OCC(=O)NN=CC(C)(C)S(C)(=O)=O)c1	1335767826	JCQUYRQDSNDFPG-UHFFFAOYSA-N	312.391	1.299	50	20	DDGD	
CC(=NNC(=O)C[n+]1ccccc1)[C@H](C)NC(=O)OC(C)(C)C	1261207594	KAOBJXOPBKMNGB-LBPRGKRZSA-O	321.401	1.379	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1cccc(OC2CCCC2)c1	1342676890	XBKKBYYJSYETPQ-UHFFFAOYSA-N	307.350	1.543	50	20	DDGD	
O=S(=O)(CCl)NCCc1coc(-c2ccccc2)n1	1347839863	YRILPUPZZOFSND-UHFFFAOYSA-N	300.767	2.000	50	20	DDGD	
O=C(NC[C@@H]1COC2(CCOCC2)O1)C1CCC(Cl)CC1	1346735206	OCRPYUFUUUZGIJ-WXRRBKDZSA-N	317.813	1.822	50	20	DDGD	
CN(C)c1ccc(C(=O)NNc2nncc(N)c2Cl)cc1	1346849523	DPQJOZRDCUPUCJ-UHFFFAOYSA-N	306.757	1.535	50	20	DDGD	
C[C@]1(COC(=O)C[C@H]2CCC(=O)NC2)C[C@@H]1Br	1519553493	MESRZCBTCMEJPS-VDDIYKPWSA-N	304.184	1.619	50	20	DDGD	
Cn1c(CNC[C@]2(C)C[C@H]2Br)ccc1C(=O)O	1608100795	ATZUCFWJMCAFGA-PWSUYJOCSA-N	301.184	1.986	50	20	DDGD	
O=C(NCC1=CCNCC1)NNc1cccc(C(=O)O)c1F	1608431617	ARZARUKRBSUEBH-UHFFFAOYSA-N	308.313	1.070	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@@H](O)C1CCCCC1	1602231026	ROKQEQRMVLHQGP-ZDUSSCGKSA-N	310.325	1.908	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)o1)c1cccc(-c2nn[nH]n2)c1	1606849697	VPLJTORZBZWLDV-UHFFFAOYSA-N	316.708	1.877	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1ccc(C(=O)O)s1	1608472169	JKOHYZNIKHWCEV-UHFFFAOYSA-N	309.303	1.184	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NC[C@H](CC1CC1)C(=O)O	1601045769	JEXXDETZBZXRKW-LVOZBFFPSA-N	314.341	1.916	50	20	DDGD	
O=C(O)C[C@@H](CNC(=O)NNc1cncc(Cl)n1)C1CC1	1608666677	NZMPQXBLVJEVIT-QMMMGPOBSA-N	313.745	1.257	50	20	DDGD	
O=C(NNC(=O)c1ccc(C(=O)O)o1)c1ccc(Cl)nc1	1610699698	ARCHLHBSUQHDSV-UHFFFAOYSA-N	309.665	1.101	50	20	DDGD	
COC[C@@H](C)N1CCN(C(=O)C2CCC(Cl)CC2)CC1	1548648019	HASWTQAYRSRRKV-IYXRBSQSSA-N	302.846	1.963	50	20	DDGD	
CCCCNC(=O)NN=C[C@H]1CCCO[C@H]1c1ccnn1C	1552448009	ZPUFPPFRSDGLAE-TZMCWYRMSA-N	307.398	1.973	50	20	DDGD	
CCn1cc([C@H]2OCC[C@H]2C=NNC(=O)c2cnccn2)cn1	1552446424	HZNQWLUZVFGRKU-FZMZJTMJSA-N	314.349	1.186	50	20	DDGD	
O=C(NN=C1C[C@@]2(CCOC2)Oc2ccccc21)c1ccon1	1553287652	HTLMRWLEGFVEST-MRXNPFEDSA-N	313.313	1.750	50	20	DDGD	
C[C@H](N)C1(C(=O)NNc2nc3ccncc3s2)CCOCC1	1576107952	JYBZYHCLJBNDJF-VIFPVBQESA-N	321.406	1.278	50	20	DDGD	
Cc1nc2cccc(Cl)c2cc1C(=O)NNC(=O)CCCN	1579871445	NYPILVZNPBOEQJ-UHFFFAOYSA-N	320.780	1.697	50	20	DDGD	
C[C@H]1CCN[C@@H](C(=O)NNc2cccc(Br)n2)C1	1576746126	YRPAPKINJQUIEK-DTWKUNHWSA-N	313.199	1.675	50	20	DDGD	
C#CCCCCC(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843367088	GLEXRRDVTHZEOS-CYBMUJFWSA-N	314.788	1.918	50	20	DDGD	
N[C@@H](Cc1ccncc1)C(=O)NNc1cc(F)cc(Cl)c1	1580368765	FUXWMJBOYKTEMZ-ZDUSSCGKSA-N	308.744	1.887	50	20	DDGD	
O=C(C1CCCC1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843363378	ZHHHHBAUQSPHQG-LLVKDONJSA-N	302.777	1.914	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)O)CCCCC1)OCC(F)(F)F	1594779938	ZIQFKMDANKAPTN-UHFFFAOYSA-N	312.244	1.341	50	20	DDGD	
CC(=O)C[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843366930	YEBPZVKSMOUNRH-GXSJLCMTSA-N	318.776	1.339	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H]1CC[C@@H](C(=O)O)O1	1599461965	KQWVSGJHMDMFQN-VHSXEESVSA-N	311.246	1.141	50	20	DDGD	
O=C(NN=C1CCCc2n[nH]cc21)c1cccc(-c2nn[nH]n2)c1	1593155776	ZNICUBJRWCVIIN-UHFFFAOYSA-N	322.332	1.060	50	20	DDGD	
C[C@@H]1CC[C@H](CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)C1	1590228028	FPZUSTABTCTECC-MNOVXSKESA-N	315.381	1.929	50	20	DDGD	
O=C(CC(F)(F)C(F)F)NNc1ccc(-c2nn[nH]n2)cc1	1592804332	YVMGWGOIOFKIHR-UHFFFAOYSA-N	318.234	1.600	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)N[C@@H]1CCCC[C@@H]1F	1593165217	XUASTQOSDAFEIY-VHSXEESVSA-N	320.332	1.169	50	20	DDGD	
CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)NN(C)C1CC1	1590832317	RKKSBDLDIFBJQN-UHFFFAOYSA-N	317.353	1.396	50	20	DDGD	
Cc1ccc(C=NNC(=O)Cn2nc(C)cc2C)c(C(=O)O)c1	1776026300	NTOYNPUCBSTBHZ-UHFFFAOYSA-N	314.345	1.657	50	20	DDGD	
C=CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](Cl)CC)C2)C1	1781222348	SDYULMGJVMQKKQ-IUODEOHRSA-N	314.813	1.410	50	20	DDGD	
C/C=C(/C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl	1793112826	UKDRYXDOHJFGLC-YWWONAAHSA-N	314.813	1.191	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Cc1nc2ccccc2n1C	15926397	VEGFJBLVTCATDQ-UHFFFAOYSA-N	322.368	1.885	50	20	DDGD	
CCOCCC1(CNC(=O)NNc2ccc(Cl)nn2)CC1	161594503	JFDJBAVZWZDIPA-UHFFFAOYSA-N	313.789	1.963	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1ccc(-n2cncn2)cc1	206474847	KHUWPOYIMMYRJK-NTEUORMPSA-N	311.345	1.327	50	20	DDGD	
COC(=O)NNC(=O)c1cc(F)c(F)cc1Br	158792459	WJMSHBRSULFDDQ-UHFFFAOYSA-N	309.066	1.728	50	20	DDGD	
CNC(=O)NNC(=O)[C@@H](C)c1ccc(Br)cc1	152307187	PHGSPUOYYPBLBO-ZETCQYMHSA-N	300.156	1.513	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(-c3nnc(C)[nH]3)cc2)nc(C)n1	153955703	BRLCDOMGZAQBJS-UHFFFAOYSA-N	323.360	1.944	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cn(Cc3ccccc3)nn2)cc1	155345604	OTIYOZGNHSJTAT-UHFFFAOYSA-N	318.340	1.955	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	154119381	VGLQSZCOQXFCJQ-AWEZNQCLSA-N	322.390	1.450	50	20	DDGD	
Cc1ccc(C(=O)N(C)C)cc1NC(=O)NNc1ncccn1	155835116	FXWXWTICYPJYHU-UHFFFAOYSA-N	314.349	1.635	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)o1	154706576	ZEYDZQWJVYUODN-VHDGCEQUSA-N	311.341	1.870	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CCCc2nc(C3CC3)no2)n1	159267737	TZHIHUDPPOAAOS-UHFFFAOYSA-N	316.365	1.820	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)c2ccc(CCl)cc2)C[C@@H](CO)O1	312572502	SLYLKPGKCVXVOF-JQWIXIFHSA-N	319.810	1.196	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@H]1[C@H]2C(=O)CC[C@H]21	912834959	ACITZBLONZKRCI-MRVWCRGKSA-N	302.330	1.511	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NC[C@@]1(C)C[C@H]1Br	856951515	XKQOCRJFFRLYHS-RDDDGLTNSA-N	322.203	1.899	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)c1ccccn1	7909709	VLJUGTPFMUATPQ-UHFFFAOYSA-N	316.273	1.073	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNc1nc(-c2ccncc2)no1	104881881	MJXRSTFYENQDLQ-LBPRGKRZSA-N	316.365	1.449	50	20	DDGD	
O=C(NCc1ccccc1-n1ccnc1)NNc1ncccn1	56895372	IPMLMQYSRBISID-UHFFFAOYSA-N	309.333	1.489	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Nc1nccs1	56501790	KDYWODOJDKRGKX-UHFFFAOYSA-N	306.347	1.547	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cc2ccc(C#N)cc2)nc1	179782224	DHAMBELXYAMISO-UHFFFAOYSA-N	310.313	1.426	50	20	DDGD	
O=C(CCCOCCc1ccccc1)NNc1ncccn1	52410436	MTWDPOZYAXJKHA-UHFFFAOYSA-N	300.362	1.959	50	20	DDGD	
COC(=O)N1CCC(=NNC(=O)c2ccc(C)cc2O)CC1	54885000	YQPATWAWBKINNJ-UHFFFAOYSA-N	305.334	1.649	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)n(C)n1	28580093	RJGNISPIVVHPIC-UHFFFAOYSA-N	307.741	1.848	50	20	DDGD	
CCc1ncc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)s1	65048688	RDHZVRUQPOWLAO-UHFFFAOYSA-N	319.342	1.509	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	65192166	RUCJVFDIMOHFOO-UHFFFAOYSA-N	317.324	1.570	50	20	DDGD	
CS[C@H]1CCC[C@@H](NC(=O)NNC(=O)Cc2ccncc2)C1	176375738	LFDDUCGATDUTLX-OLZOCXBDSA-N	322.434	1.629	50	20	DDGD	
Cc1cc(C(=O)NNc2ncnc3nc[nH]c23)nn1C(C)(C)C	173949455	FNXZRBJCUMRDBY-UHFFFAOYSA-N	314.353	1.370	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(NC(C)=O)ccc1F	64424965	JZIBKQGDOOGQLS-UHFFFAOYSA-N	310.329	1.528	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)C1(O)CCOCC1	118995949	YINUJICYDKLVDX-UHFFFAOYSA-N	301.346	1.528	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2ccncc2)c(C)n1C1CC1	176773153	DJRJLDMIVGNUFM-UHFFFAOYSA-N	312.373	1.839	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNc1ncccc1Cl	114886469	PNYICKQQGCUDBH-UHFFFAOYSA-N	310.766	1.670	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCN(C(C)C)C2=O)s1	114786897	XFFWFPJFPNLPLU-JTQLQIEISA-N	324.406	1.010	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)COC1CCCC1	61475522	LTEPXFSZYTUVHF-UHFFFAOYSA-N	306.362	1.562	50	20	DDGD	
N#CCc1cccc(C(=O)NNc2nc3ccccc3c(=O)[nH]2)c1	176781177	XNOJESPVKZIBNM-UHFFFAOYSA-N	319.324	1.746	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NC[C@@]1(C)CCCO1	126307000	IXZOHMXLKVJVSB-OAHLLOKOSA-N	306.366	1.900	50	20	DDGD	
C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NNC(=O)C(=O)N1CCCC1	175863176	PLKMORQIDFYCHP-NEPJUHHUSA-N	324.425	1.154	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cc(-c2ccccc2)n[nH]1	120192212	MXMWCYAGSVRYKP-UHFFFAOYSA-N	312.251	1.790	50	20	DDGD	
CC(C)Cc1ccc([C@H](C)C(=O)NNC(=O)CN(C)C)cc1	120087547	VVQBZORGZYRZKO-ZDUSSCGKSA-N	305.422	1.698	50	20	DDGD	
COCCn1cc(NC(=O)NNc2ccc(Cl)nn2)cn1	127945723	FIFJGNCWGMCVMX-UHFFFAOYSA-N	311.733	1.122	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1O	121146419	IENPSJGWWOBUNH-UHFFFAOYSA-N	315.285	1.684	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)Nc1ccccn1	120988342	AJHJHHDEJKYGMO-UHFFFAOYSA-N	300.318	1.451	50	20	DDGD	
CSc1ccc(NC(=O)NNC(=O)Cc2cc[nH]n2)cc1	183392300	WPXCKZOQMWXECT-UHFFFAOYSA-N	305.363	1.527	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2ccsc2)c1	121340709	XTGDVEUDCPSBSH-UHFFFAOYSA-N	305.359	1.630	50	20	DDGD	
O=C(NNc1ncccn1)C(=O)Nc1ccc(Cl)cc1F	120049416	WAHZPUKERZCZNB-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)c1c[nH]nn1	126277834	YJJQXGBIEKRQBO-UHFFFAOYSA-N	311.754	1.011	50	20	DDGD	
O=C(COC1CCCCC1)NNC(=O)c1ccc(Cl)nc1	77249534	FLRHDNJPVCXVHD-UHFFFAOYSA-N	311.769	1.845	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)Cc2cccnc2)CC[C@H]1C	183316797	KVWLLULQXKZQLQ-MBNYWOFBSA-N	304.394	1.779	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)COc2cccc(C)c2)nc1	184271061	FMRQMXKREMGFMI-UHFFFAOYSA-N	314.345	1.930	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@@H](C)CS(C)(=O)=O	181303556	XHVWCISHWCMVRE-NSHDSACASA-N	321.402	1.667	50	20	DDGD	
COc1ccnc(NNC(=O)C2(c3ccccc3F)CC2)n1	134582294	SORSLQOTWVMLOS-UHFFFAOYSA-N	302.309	1.799	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2ccc(F)cc2F)cc1	131363638	MHMDIIBVPLKSOZ-UHFFFAOYSA-N	316.267	1.918	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1cc2c(s1)CCC2	193823305	MFRHNVKJSANKCW-UHFFFAOYSA-N	305.359	1.974	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2n[nH]c3c2CCCCC3)n1	190056807	UQVMFEVWCDDTMT-UHFFFAOYSA-N	300.366	1.842	50	20	DDGD	
COC1CCC(CC(=O)NNC(=S)Nc2ccccn2)CC1	89421770	JSAFIYHHUMRMCU-UHFFFAOYSA-N	322.434	1.995	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cccc([N+](=O)[O-])c1O	191906361	GDOHLUCIYSUNKS-UHFFFAOYSA-N	314.261	1.100	50	20	DDGD	
Cc1nc(C)c(CCC(=O)NNC(=O)CC2CCCC2)c(=O)[nH]1	195215290	PQSYSXRXXMKFSR-UHFFFAOYSA-N	320.393	1.047	50	20	DDGD	
C[S@@](=O)c1ccc(CNC(=O)NNC(=O)C(C)(C)C)cc1	80196523	FSJJXXHODXRJAR-NRFANRHFSA-N	311.407	1.301	50	20	DDGD	
COc1ccnc(NNC(=O)C(C)(C)Oc2ccc(F)cc2)n1	46365040	KXFHOCKWEJOYSY-UHFFFAOYSA-N	320.324	1.925	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)O1	268365820	VCPPOMXQTSQZHX-KBPBESRZSA-N	305.378	1.471	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCC(=O)NC(C)C	265046541	ORSLDWCTVGGDLU-UHFFFAOYSA-N	314.817	1.383	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=S)Nc2ccc(OC)nc2)O1	268292211	YVQVGPHLMZWTOF-QWRGUYRKSA-N	324.406	1.365	50	20	DDGD	
COc1ccc(-n2ccc(C(=O)NNC(=O)C3CCC3)n2)cc1	264795533	SQQFLJPMEYCSRO-UHFFFAOYSA-N	314.345	1.442	50	20	DDGD	
COc1ccsc1S(=O)(=O)NNC(=O)NC1CCCC1	268382405	ZMJYCRGRKXYKCU-UHFFFAOYSA-N	319.408	1.192	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(OC(C)(C)C)cc1	267441459	CHCRFBDSMISTQU-UHFFFAOYSA-N	323.393	1.844	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)C1CCC1	264739764	KGRWZVBBDPPHDM-UHFFFAOYSA-N	313.335	1.013	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CCCCN1CCOCC1	263887163	DWNWZLKPSZOZCZ-UHFFFAOYSA-N	319.405	1.259	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CCC(C)(O)CC2)cc(C#N)n1C	268475089	CSPRAVRMIFQROS-RIYZIHGNSA-N	312.373	1.486	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NO[C@@H]2CCCCO2)c1	275141377	QBUULJSHRVKCIN-CYBMUJFWSA-N	322.365	1.155	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCOCC2CC2)c1	272690118	VOJFFDKVJFBBKS-UHFFFAOYSA-N	307.350	1.526	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(C)nc2c1cnn2C(C)C	271441473	RXNOHBUOSWYICN-UHFFFAOYSA-N	318.381	1.627	50	20	DDGD	
CC(F)(F)CC(=O)NNC(=O)CSc1ccccc1O	277352711	OBRPBXDYIXNGBC-UHFFFAOYSA-N	304.318	1.677	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnn(C)c1-c1ccccc1	272614924	WXBZUARNOJJTKH-UHFFFAOYSA-N	301.350	1.393	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccccc1Cn1cncn1	273453512	CWDWPXNWFOHUTQ-UHFFFAOYSA-N	314.349	1.279	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CC2(OC)CCC2)c1	276904734	NXNWGYCRUJSCIF-UHFFFAOYSA-N	317.414	1.945	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H](C)OC[C@@H]2CCCCO2)n1	279818314	PCFVOHCMNIOGOJ-STQMWFEESA-N	321.377	1.125	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2cc(C(C)C)on2)n1	273487961	NOXYAVLHONFYQU-UHFFFAOYSA-N	320.353	1.464	50	20	DDGD	
O=C(NNc1ccccn1)N[C@H]1CCCC[C@@H]1N1CCOCC1	370558149	NTJHAPDZAFGQCJ-KBPBESRZSA-N	319.409	1.351	50	20	DDGD	
COc1ccccc1COC[C@@H](O)CN1CC=C(C#N)CC1	272586159	FMWCUUADNGUFDR-INIZCTEOSA-N	302.374	1.728	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2c[nH]c3ccccc23)CCC1	284556115	QACCDQXZYZOJKB-UHFFFAOYSA-N	301.346	1.746	50	20	DDGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNc2cc(Cl)nc(N)n2)C1	281761472	ZWGNQNZCNWUNFA-RKDXNWHRSA-N	313.789	1.751	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNc3cc(C)ccn3)(CC1)C2	375428114	SHELZQINXUUMPH-UHFFFAOYSA-N	303.362	1.957	50	20	DDGD	
CC(C)CCC(=O)NCC(=O)NNC(=O)Nc1ccccc1	282716102	HDFUZRVJZULVIQ-UHFFFAOYSA-N	306.366	1.392	50	20	DDGD	
C[C@@H]1CCC[C@H]1CC(=O)NNc1ccc(-n2ccnc2)nn1	286781318	XFIVBJPSRMUKKJ-NEPJUHHUSA-N	300.366	1.932	50	20	DDGD	
CSCC(C)(C)C(=O)NNc1cccc(S(C)(=O)=O)c1	282709240	KMIGMXPVLMQPQI-UHFFFAOYSA-N	316.448	1.922	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@](C)(O)C2CC2)cc1OC	288162834	FAVJCWMVLCOJRH-MRXNPFEDSA-N	322.361	1.016	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H](OC)C1CC1	280548000	KURIWZJXMNAQNB-HNNXBMFYSA-N	306.362	1.200	50	20	DDGD	
COCCn1cc(C(=O)NNC(=O)CC(C)(C)C)c(=O)cc1C	289251454	VTOKXQRRNCGHAQ-UHFFFAOYSA-N	323.393	1.000	50	20	DDGD	
CCOC1(C(=O)NNc2nc(-c3ccncc3)no2)CCCC1	285571749	JQUWWUUTYAIUBH-UHFFFAOYSA-N	317.349	1.924	50	20	DDGD	
COC(=O)N(C)NC(=O)Cc1nc(-c2ccsc2)oc1C	286185395	CROAIJDDANRUOE-UHFFFAOYSA-N	309.347	1.983	50	20	DDGD	
COC(=O)N(C)NC(=O)/C=C/c1ccc(OCC#N)c(OC)c1	286365009	NFERIPSZJSFOPW-FNORWQNLSA-N	319.317	1.340	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNc1cccc(NC(C)=O)c1	293887288	JCGIKVFTBLYEBF-UHFFFAOYSA-N	308.338	1.223	50	20	DDGD	
C[C@H]1CCc2ccccc2[C@@H]1NC(=O)NNC(=O)[C@@H]1CCCO1	292664420	QUHQAWHAYSHVBU-TUKIKUTGSA-N	317.389	1.819	50	20	DDGD	
O=C(NNc1ccncn1)[C@H]1CCCN(CC(F)(F)F)C1	295567199	VIWNLCKPVUWLIJ-VIFPVBQESA-N	303.288	1.194	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1ccc2ncsc2c1	802027346	CJEZGVVHNDBHPZ-UHFFFAOYSA-N	313.342	1.580	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NN=Cc3cnccn3)n[nH]2)cc1	807963877	NSVDHEQPVFCHGP-UHFFFAOYSA-N	306.329	1.939	50	20	DDGD	
O=C(Cc1ccc(F)cc1Cl)NNC(=O)N=c1cc[nH]cc1	802025899	IRCIQHWMEFRXHX-UHFFFAOYSA-N	322.727	1.691	50	20	DDGD	
Cn1cc(C(=O)NN=C(c2ccccc2)c2ccccc2)nn1	807923276	DQCKWNBXFKRDII-UHFFFAOYSA-N	305.341	1.998	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)C(=O)NC(CC)CC)o1	293056080	AWOJVZPRCQQEDD-UHFFFAOYSA-N	324.381	1.001	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cc(Cl)nc(N2CCCC2)c1	294066778	GUSJOMBORJPXSR-UHFFFAOYSA-N	322.796	1.896	50	20	DDGD	
Cc1nc2c(cc1C(=O)NNC(=O)CC1CC1)c(C)nn2C	294210738	QBNVJPMTHMNBDY-UHFFFAOYSA-N	301.350	1.146	50	20	DDGD	
Cc1ccc(NC(=O)NNc2ccc(-n3ccnc3)nn2)c(C)n1	806344558	IDGGCWVBHOATRI-UHFFFAOYSA-N	324.348	1.823	50	20	DDGD	
C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NNC(=O)CC1CC1	819117837	GCDASMWICHGMSH-LLVKDONJSA-N	313.357	1.449	50	20	DDGD	
O=C(NNC(=O)N1CCO[C@H]2C[C@@H]21)c1ccc2ccccc2c1	814279226	PNFJEWPDYATFMO-GJZGRUSLSA-N	311.341	1.667	50	20	DDGD	
O=C(C[C@@H](c1ccccc1)c1ncc[nH]1)NNC(=O)c1ccc[nH]1	816823998	MQASLCBOPPKLIK-ZDUSSCGKSA-N	323.356	1.721	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cccc(C(=O)O)c2)n1	814752913	JYKUTWQHUSGJON-UHFFFAOYSA-N	300.318	1.348	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)COc1ccccc1F	811630810	UNCJBSLBORUCCP-NSHDSACASA-N	307.325	1.365	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)Cn1nnc2ccccc2c1=O	816628354	RZHKGAKYMLEENN-UHFFFAOYSA-N	315.160	1.054	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CC1CC1)c1ccc([N+](=O)[O-])cc1F	819132101	ZFQUWHSDIUMJTC-QMMMGPOBSA-N	309.297	1.785	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)C(C)(C)OC(C)=O	819711314	SHGTVGUPVFVWNB-UHFFFAOYSA-N	312.297	1.397	50	20	DDGD	
CCS(=O)(=O)Nc1ccc(C(C)=NNC(=O)C2CC2)cc1	729633620	PQBKTXNMMATQRT-UHFFFAOYSA-N	309.391	1.698	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21	822728413	RUGCOPYVZBRZNN-XTWCZFFVSA-N	308.309	1.480	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NN=C1CCN2CCC[C@H]12	494043255	DSECVVLLOKETLJ-CYBMUJFWSA-N	324.425	1.632	50	20	DDGD	
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NN(C)[C@H](C)CO	823953246	ZURODEXAIJAXRZ-SNVBAGLBSA-N	322.796	1.792	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2ccc(-c3nn[nH]n3)s2)o1	822226145	FAHQWBDTRSIXFI-UHFFFAOYSA-N	302.319	1.594	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2ncccc2[N+](=O)[O-])cc1	821544755	YUPNLFMLYKJISN-UHFFFAOYSA-N	302.246	1.445	50	20	DDGD	
Cc1cc(C)n(Cc2cccc(C(=O)NN(C)[C@H](C)CO)c2)n1	823965887	VDGFJFMNPSJTJC-CQSZACIVSA-N	316.405	1.506	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NNC(=O)C1CCCC1	497289838	PWSGTVLVQYBBDT-WDEREUQCSA-N	311.382	1.237	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNC(=O)COc1ccc(F)cc1	820629482	DGXGZIBWUFUUHB-GFCCVEGCSA-N	307.325	1.337	50	20	DDGD	
CC(=NNC(=O)c1cccn1C)c1cccc(-n2cnnn2)c1	725846900	QPUOULXAHMJDOO-UHFFFAOYSA-N	309.333	1.155	50	20	DDGD	
C=CCC[C@H](CO)NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	491127087	AGXUODSYRPXUSS-KEQVLUGWSA-N	312.373	1.555	50	20	DDGD	
CCCNC(=O)NN=Cc1ccc(N2CCOCC2)c(F)c1	727257104	DYRCNQGTSWUNBG-UHFFFAOYSA-N	308.357	1.705	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)C)c(C)n1-c1cnn(C)c1	822245095	RONHCFFVFNAVPT-UHFFFAOYSA-N	317.393	1.635	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cccc(Nc2nccs2)c1	823384756	TZYSTQQESUNAGB-JTQLQIEISA-N	306.391	1.844	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C	823918565	YHSVTMCLBNDCNF-UTUOFQBUSA-N	315.414	1.024	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC[C@H]1CCc1ccccc1	827434285	CGBYVZLFGMDSEO-INIZCTEOSA-N	317.433	1.887	50	20	DDGD	
NC(=O)c1ccc(NC(=S)NNC(=O)c2ccccc2)cc1	726433829	UWGPDFHKVYESEW-UHFFFAOYSA-N	314.370	1.417	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCc2ccccc2[C@H]1C	827287381	DYCZQGWWPXCELJ-TYNCELHUSA-N	317.389	1.772	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc2c(N(C)C)cccc2s1	822556308	DZQNSPRSEWMDQB-SNVBAGLBSA-N	307.419	1.925	50	20	DDGD	
CN(C(=O)/C(C#N)=C/c1c(C(=O)O)cnn1C)C1CCCCC1	901474261	LMWOMWVYXLCBKP-DHZHZOJOSA-N	316.361	1.816	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1	825459959	OYSWDIHQGXKTER-CYBMUJFWSA-N	315.381	1.184	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C\c1ccc(OC(F)(F)C(=O)O)cc1	490609914	BVWGBTPVYUSZPK-FLIBITNWSA-N	322.267	1.952	50	20	DDGD	
Cc1cccc(CCNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	825832758	YTZCRLJOJLLNFO-OCCSQVGLSA-N	305.378	1.293	50	20	DDGD	
CN(NC(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1)C1CC1	824205723	RYLWSKBCWZJMBP-UHFFFAOYSA-N	324.406	1.258	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)o1)c1nc(C2CCCCC2)no1	585038011	PKSDESRGKKXMJS-JTQLQIEISA-N	319.170	1.241	50	20	DDGD	
O=C(/C=C/c1ccccc1OCC1CCCCC1)NCB(O)O	585060425	RCTYAPXMKLIYPD-ZHACJKMWSA-N	317.194	1.787	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@H]1CN1CCCC1	731850029	LMRSVFBDQCKWOA-CABCVRRESA-N	324.469	1.129	50	20	DDGD	
C[C@]1(C(=O)NN=c2cc[nH]cc2Cl)C[C@H]1Br	907406333	FOYBDENECHKMLN-SCZZXKLOSA-N	304.575	1.774	50	20	DDGD	
CC(CCc1ccc(O)cc1)=NNC(=O)[C@H]1CCS(=O)(=O)C1	730576073	LMXXULUCKFNGFM-ZDUSSCGKSA-N	324.402	1.252	50	20	DDGD	
COc1cc2c(cc1OC)C(=NNC(=O)C1CCC1)C(=O)N2	731934299	UXIGRBJPTBXDBD-UHFFFAOYSA-N	303.318	1.276	50	20	DDGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CC[C@](F)(C(=O)O)C1	833061353	AJTBDQKGNQBHME-MBNGJLNHSA-N	305.265	1.958	50	20	DDGD	
CC(C)(C)[C@@H](NC(=O)c1cccc(B(O)O)c1)C(F)(F)F	584954067	CCJUDPZTOMJKTO-LLVKDONJSA-N	303.089	1.073	50	20	DDGD	
C[C@]1(C(=O)NCC2CC3(C2)OCCO3)C[C@H]1Br	832177393	YFEUZOJVDKPHAO-KOLCDFICSA-N	304.184	1.429	50	20	DDGD	
COCC1(CNC(=O)NNc2nc(C)cc(C)n2)CCCC1	836657983	FSDPDFVKMYHZGQ-UHFFFAOYSA-N	307.398	1.926	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CN[C@H]2CCC[C@@H]3C[C@H]23)c1	839195567	DCFUJDOYSCMFLL-SNPRPXQTSA-N	312.373	1.097	50	20	DDGD	
CSc1ccc(CNCc2ccc(B(O)O)cc2)cc1C	585027950	BOCPNJWAGGHAIF-UHFFFAOYSA-N	301.220	1.687	50	20	DDGD	
CCOCC(=O)NN=Cc1ccc(OCCN2CCCC2)cc1	731154565	RWQTXABZRHOSCJ-UHFFFAOYSA-N	319.405	1.648	50	20	DDGD	
CSC(C)(C)C(=O)NNC(=O)CSc1ccccc1O	831460781	ZGDAKMWYBILDMZ-UHFFFAOYSA-N	314.432	1.773	50	20	DDGD	
O=C(O)CSCCC(=O)NNC(=O)c1cccc(Cl)c1	739846869	SKISSAWCKIYCSF-UHFFFAOYSA-N	316.766	1.309	50	20	DDGD	
COc1ccccc1C(=O)NN=Cc1cc(O)c(O)c(OC)c1	731487769	BMEWBLGTUNMDBT-UHFFFAOYSA-N	316.313	1.879	50	20	DDGD	
CN(Cc1ccc(NC(=O)c2cccc(B(O)O)c2)cc1)C1CC1	585006203	BLNZROIKMWUEDT-UHFFFAOYSA-N	324.189	1.213	50	20	DDGD	
CCCSCC(C)=NNC(=O)[C@H](C)CN1CCOCC1	901154592	DMQJUOMLJKVSJK-GFCCVEGCSA-N	301.456	1.590	50	20	DDGD	
CO[C@@H](C=NNC(=O)COc1ccc(F)cc1)C1CCOCC1	834929522	DNKWZXPWKOWZMW-HNNXBMFYSA-N	324.352	1.748	50	20	DDGD	
CCCN(C(=O)c1ccc(B(O)O)cc1)c1ccc(CC)cc1	585000673	ZLLTZSGEYLUBFJ-UHFFFAOYSA-N	311.190	1.986	50	20	DDGD	
CN1C(=O)CC[C@H]1CC(=O)NNc1ncnc2ccsc12	830430454	GVBAURAVOHQMAD-QMMMGPOBSA-N	305.363	1.145	50	20	DDGD	
C[C@H]1CC(=NNC(=O)[C@H]2COc3ccccc3O2)C[C@@H](C)O1	834917822	KASVNGHFCHPHFY-JRPNMDOOSA-N	304.346	1.886	50	20	DDGD	
COc1ccc(C[C@H](C)CNS(=O)(=O)CCl)cc1OC	830981591	UIOXNOYAJWALKW-JTQLQIEISA-N	321.826	1.998	50	20	DDGD	
CCCC(C)=NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1	916305969	FBRQBKGUNVCTEL-UHFFFAOYSA-N	311.407	1.843	50	20	DDGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCO[C@H](CC(=O)O)C1	833061523	CPLNSOFOELQPKI-QVXXFUFASA-N	317.301	1.635	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)c1	913821883	LPIVWBLTEFYHOB-AQUOVQTQSA-N	321.377	1.677	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NN(C)C[C@@H](C)O)cc1OC	910152265	NBZKKIMHPLLZLR-NWDGAFQWSA-N	310.394	1.226	50	20	DDGD	
CCc1cccc2c1NC(=O)C2=NNC(=O)[C@@H](C)OCCOC	748253545	OWNGODPUFYEGAX-SNVBAGLBSA-N	319.361	1.073	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(O)cc(Br)c1	910184428	QWNSULUWCPKDRG-SSDOTTSWSA-N	303.156	1.112	50	20	DDGD	
CN(CCO[Si](C)(C)C(C)(C)C)Cc1nc(N)nc(N)n1	844346565	OHDRPKJWRZZEPJ-UHFFFAOYSA-N	312.494	1.490	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCCSC(C)(C)C	843662444	RCFJSYWDKJNFLB-WDEREUQCSA-N	302.440	1.871	50	20	DDGD	
COc1cc(C=NNC(=O)C2CCCC2)c([N+](=O)[O-])cc1O	914835666	RJYBUCWBXDEGSO-UHFFFAOYSA-N	307.306	1.949	50	20	DDGD	
C[C@H](C(=O)Nc1cccc(NC(=O)NN(C)C)c1)n1cccn1	843870304	CWVTZBJEAIJBAA-LLVKDONJSA-N	316.365	1.681	50	20	DDGD	
Cc1nn(C(C)(C)C)cc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843970129	BKRYRKMPPXQBOI-WDEREUQCSA-N	308.382	1.133	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1	910163717	OVXYMRSSMRBOIX-JTQLQIEISA-N	315.377	1.307	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	842114393	NJDAOLVVKVPGLS-VXGBXAGGSA-N	316.398	1.173	50	20	DDGD	
CC(C)NC(=O)NNC(=O)Cc1ccc2c(c1)OC(F)(F)O2	845324114	VHAMGJBMHGFQDC-UHFFFAOYSA-N	315.276	1.289	50	20	DDGD	
Cc1cccc(CC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1Cl	843660985	YRSOLFYTDUJGOD-PWSUYJOCSA-N	310.781	1.763	50	20	DDGD	
CCn1ccc(CC(=O)NNc2ccc(C(=O)OC)c(F)c2)n1	846250305	XYBCEWJIAPZHPB-UHFFFAOYSA-N	320.324	1.515	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)cn1	745876003	LKAGQWXYGVGFNU-NTZNESFSSA-N	305.382	1.333	50	20	DDGD	
CCc1ccc([C@H](C)C(=O)NNC(=O)CN2CCCC2=O)cc1	913730597	BDKGWLPSNISNAM-LBPRGKRZSA-N	317.389	1.122	50	20	DDGD	
COCC[C@@H](C)CNC(=O)NNC(=O)Cc1ccccc1C	840396089	OBMRPOHDMQHMFW-GFCCVEGCSA-N	307.394	1.541	50	20	DDGD	
NC1CCN(C(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)CC1	846662049	JJDHTHFEPJAODW-XHVZSJERSA-N	301.228	1.890	50	20	DDGD	
C[C@]1(C(=O)N2CCC[C@@H](n3ccnn3)C2)C[C@H]1Br	911290566	BDBFCXTXMONBPJ-FOGDFJRCSA-N	313.199	1.615	50	20	DDGD	
CC(C)(C#N)CCS(=O)(=O)NNC(=O)c1ccc(C#N)cc1	844651672	PLBCPEHSWQOGIG-UHFFFAOYSA-N	320.374	1.062	50	20	DDGD	
C=CCOc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	843643508	MSESZDVYDUBJOK-SMDDNHRTSA-N	304.346	1.437	50	20	DDGD	
Cc1ccc(NNC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)cc1	915065586	RXOHUUAMDSKKTC-UHFFFAOYSA-N	322.390	1.330	50	20	DDGD	
COCC(=NNC(=O)c1nn(-c2ccccc2)cc1O)C(C)C	741457505	WFFZTQFFYRXKDF-UHFFFAOYSA-N	316.361	1.966	50	20	DDGD	
Cn1cc(C(=O)C(=O)NNc2cccc(Br)c2)cn1	748021761	JXBJYXXFHWHMDD-UHFFFAOYSA-N	323.150	1.509	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@@H]2CCOC2=O)cc1	916595402	HFTZGLZPWURXLZ-BRADTZPFSA-N	301.298	1.851	50	20	DDGD	
COc1ccc(F)cc1S(=O)(=O)NNC(=O)CC(C)C	842576625	XLUOSJRNDNRAJC-UHFFFAOYSA-N	304.343	1.190	50	20	DDGD	
COc1ccc(OCCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	843640511	OIPBQOPXOMPRPL-SMDDNHRTSA-N	322.361	1.037	50	20	DDGD	
CCc1cc(=NC(=O)NNC(=O)COC)c2ccccc2[nH]1	841717247	IXAAPLRBEPTHEY-UHFFFAOYSA-N	302.334	1.018	50	20	DDGD	
CC[C@H](C(=O)NNc1nnc(-c2ccccn2)s1)[C@@H](C)O	842258193	OZEMLMLBEUABGX-BDAKNGLRSA-N	307.379	1.450	50	20	DDGD	
COc1ccc2c(c1OC)OCC2=NNC(=O)[C@@H]1CCO[C@@H]1C	842549572	OISLOYWOPKMWPQ-NXEZZACHSA-N	320.345	1.342	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)c1cnc2[nH]nnc2c1	755894454	IORKYLDDGQPDBN-UHFFFAOYSA-N	305.301	1.658	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ncc[nH]2)c1C	854217322	KHJNPDQKHNKKBF-LLVKDONJSA-N	302.334	1.255	50	20	DDGD	
CC(C)(C)SCCNC(=O)NNC(=O)c1cccc(F)n1	852047917	KOLQCFMNLCKFQF-UHFFFAOYSA-N	314.386	1.696	50	20	DDGD	
C=CC[C@H](C)NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	852120041	MEQLQXZPGFLNKA-NSHDSACASA-N	312.414	1.224	50	20	DDGD	
COCC(C)(C)C=NNC(=O)Cc1nc2ccccc2n1C	754911535	HBLCRFMAACTMKO-UHFFFAOYSA-N	302.378	1.890	50	20	DDGD	
CCn1ccnc1C=NNC(=O)Cn1c(C)nc2ccccc21	755524188	GWTZTXHJINQLFX-UHFFFAOYSA-N	310.361	1.711	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NN=C[C@H]1CCCOC1	853377148	HJMWFAOQTMIVKK-UMVBOHGHSA-N	320.393	1.416	50	20	DDGD	
Cc1ccc(OCCCNC(=O)NNC(=O)c2cn[nH]c2)cc1	858172578	CHWCIGIQTYBAMF-UHFFFAOYSA-N	317.349	1.131	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=S)NCC2CCC2)n(C)n1	855090819	QXOHJIBORAHMTA-UHFFFAOYSA-N	309.439	1.453	50	20	DDGD	
CCn1c(O)nc2cc(C(=O)NNC(=O)CC(C)(C)C)ccc21	857115798	QAHBOVMVYNSSDD-UHFFFAOYSA-N	318.377	1.959	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)N[C@H]1CCc2c[nH]nc2C1	758905600	HBZUWLGQUAYLLQ-VIFPVBQESA-N	306.757	1.642	50	20	DDGD	
CCCn1nccc1C(=O)NNc1ccc(F)c(C(=O)OC)c1	854853951	KKFHIPJMAJSOHF-UHFFFAOYSA-N	320.324	1.976	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2F)C1	855627086	VHWZRKVEPDROTM-BDAKNGLRSA-N	324.312	1.469	50	20	DDGD	
C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NNc1ccc(Cl)cn1	852200966	QDWGKMJXIMNHIC-JOYOIKCWSA-N	309.801	1.844	50	20	DDGD	
CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)NNc1cccnn1	852691655	JWYFCDIHMGXLBO-HZMBPMFUSA-N	307.354	1.225	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1c[nH]nc1-c1ccccc1	755587956	WWFRKLUMONQJFX-UHFFFAOYSA-N	311.345	1.149	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H]2C[C@H]2OC(C)(C)C)c1	854189295	KKMPGWGPDUFVMW-ZIAGYGMSSA-N	320.389	1.725	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN[C@@H]2CCCC2(C)C)cc1	755053659	CCYXVYBXNPOSMX-CQSZACIVSA-N	303.406	1.924	50	20	DDGD	
CCOC(=O)NC1CCC(=NNC(=O)Cc2cc[nH]n2)CC1	853351176	XSLFVMXAKRSIIX-UHFFFAOYSA-N	307.354	1.113	50	20	DDGD	
CO[C@@H]1COC[C@H]1NS(=O)(=O)c1ccc(CCCl)cc1	828053798	CHDYAOQUNATPPL-CHWSQXEVSA-N	319.810	1.160	50	20	DDGD	
O=C(CC[C@H]1CCOC1)NNC(=O)COc1ccc(F)cc1	751297915	MLYGBZLWUGTXON-NSHDSACASA-N	310.325	1.169	50	20	DDGD	
C#CCOc1cccc(NC(=O)NNC(=O)c2cc(C)[nH]n2)c1	756474411	APUXVNAVZBQDBG-UHFFFAOYSA-N	313.317	1.197	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)CC(C)(C)C)C(=O)OC	752220453	HKXMPNFZGRIJCF-UHFFFAOYSA-N	315.414	1.732	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1scnc1Br	757719913	PSELJENJVNWEFO-UHFFFAOYSA-N	306.185	1.713	50	20	DDGD	
C[C@]1(CCNC(=O)NNC(=O)c2cn[nH]c2)CC1(Cl)Cl	858518298	OLMMCMXPOYPVHC-JTQLQIEISA-N	320.180	1.328	50	20	DDGD	
O=C(CC[C@H]1CCCNC1)NNc1nc(-c2ccncc2)no1	857003213	STIQIJSLTUJIPL-LLVKDONJSA-N	316.365	1.355	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccc(C(N)=O)o2)cc1Cl	753297996	OKMVUAVNVYAKGT-UHFFFAOYSA-N	304.693	1.660	50	20	DDGD	
CCC[C@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1	858121685	DVGLFLRDKNFAMI-QWHCGFSZSA-N	318.377	1.137	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C[C@@](C)(O)C2CC2)cc1OC	755391261	CSLREOSXAXOBQV-MRXNPFEDSA-N	322.361	1.016	50	20	DDGD	
Cc1ccc(O)c(C=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)c1	755564405	JYCYUGUTCLYGLM-UHFFFAOYSA-N	314.301	1.955	50	20	DDGD	
Cc1c(C(=O)NNc2ncnc(Cl)c2C(C)C)nnn1C	857545875	KSIATYBYNBXIMT-UHFFFAOYSA-N	309.761	1.447	50	20	DDGD	
CCn1ccnc1C=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1	755587971	MFQDCBZUEDTAGO-MCIONIFRSA-N	321.425	1.098	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)cc1F	853687214	MGNNHYBOTWXXQQ-QWHCGFSZSA-N	324.400	1.869	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)CC1)c1cccc(Cl)n1	853410082	BHJNNUYQKQOMPY-UHFFFAOYSA-N	301.755	1.029	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1cccc2c1OCCC2=O	757979203	WBEWHJKISJBGJO-UHFFFAOYSA-N	317.345	1.995	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)C1CSC1	864659185	FETJKWQYNLVCTM-UHFFFAOYSA-N	300.767	1.473	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1ncc2c(n1)CCCC2=O	863350802	IMALFDNTRWRCAC-QMMMGPOBSA-N	322.390	1.034	50	20	DDGD	
O=C(Cc1ccncc1)NN=Cc1cnc(C2OCCO2)s1	761812208	XUKPFPWYQDDONY-UHFFFAOYSA-N	318.358	1.276	50	20	DDGD	
C[C@@H](NNC(=O)CCc1nc(-c2ccco2)no1)C(F)(F)F	862308082	XIEIBRBBEHCCOU-SSDOTTSWSA-N	318.255	1.834	50	20	DDGD	
CSc1ccccc1NC(=O)C(=O)NNC(=O)C1CCCC1	764078092	YAKGTZYEIDAOKC-UHFFFAOYSA-N	321.402	1.685	50	20	DDGD	
CC(=O)Nc1cc(NCc2ccc(B(O)O)cc2)ccc1F	864019319	AGKPAZKXMQFQKH-UHFFFAOYSA-N	302.114	1.076	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(Cl)c3c(c2)OCO3)n[nH]1	765586720	GQLNIPOBLTZPOM-UHFFFAOYSA-N	322.708	1.175	50	20	DDGD	
CC(=NNC(=O)CS(C)(=O)=O)c1ccccc1C(F)(F)F	863188675	ZXYPNJZVPDRDJT-UHFFFAOYSA-N	322.308	1.590	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2nocc2C)c1	864461867	SMPLJLRVYCGRJS-UHFFFAOYSA-N	303.318	1.440	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	868115941	HUGYIYYHTWXMJT-LLVKDONJSA-N	314.292	1.032	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc3c2CCOC3)o1	934354386	VWMFVVQIGNLUCY-UHFFFAOYSA-N	300.314	1.736	50	20	DDGD	
COCC[C@]1(NS(=O)(=O)CC(C)(C)CCl)CCOC1	867199079	FNNBTRBVCLYALK-LBPRGKRZSA-N	313.847	1.366	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H]2CC(=O)NNC(=O)NCC1CC1	760380986	FHNJWVHYLMKSOY-NSHDSACASA-N	319.361	1.302	50	20	DDGD	
O=C(CCC1(O)CCC1)NNc1cccc(Br)n1	868820192	QVFYMMVCWJAPGV-UHFFFAOYSA-N	314.183	1.982	50	20	DDGD	
Cc1cc(=NNC(=O)c2sc(NC3CC3)nc2C)cc[nH]1	863935652	XAJRREBUYJHEPO-UHFFFAOYSA-N	303.391	1.908	50	20	DDGD	
N#CC1=CCN(C(=O)c2cc([N+](=O)[O-])c3nsnc3c2)CC1	760002753	CJVHBTYYSVVREQ-UHFFFAOYSA-N	315.314	1.895	50	20	DDGD	
CCO[C@H](CC(=O)NNC(=S)NCC1CCC1)C(C)C	760841203	TZRFRTLSIKZGJR-GFCCVEGCSA-N	301.456	1.733	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)C1CCC(C(F)(F)F)CC1	767885450	QHHNDLAAGZHJSO-UHFFFAOYSA-N	318.299	1.468	50	20	DDGD	
CC(C)[C@@H](NC(=O)c1cc(B(O)O)ccc1F)c1ccccn1	865972897	OYUVATBQWHDHEH-OAHLLOKOSA-N	316.141	1.028	50	20	DDGD	
COc1nccnc1NNC(=O)C1=NO[C@H](c2ccccc2)C1	764481900	NESOZFQWWZKECV-LBPRGKRZSA-N	313.317	1.446	50	20	DDGD	
CCOc1ccccc1C(=O)NNC(=O)Cc1cc(C)[nH]n1	869012921	HQKIRHLLOKEZBC-UHFFFAOYSA-N	302.334	1.121	50	20	DDGD	
CS(=O)(=O)c1ccccc1NC(=O)NNc1cnccn1	769944749	YWYAUCRTKFIOCJ-UHFFFAOYSA-N	307.335	1.029	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)[C@H](CC)c2ccccc2)n(C)n1	874454469	CBQCLJBHVXKHOZ-CQSZACIVSA-N	314.389	1.937	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	1117774121	IXWXHTIOHSXGBP-SSDOTTSWSA-N	315.713	1.891	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H](C)C2)c1	776293043	UZRKMDKNWGYPDF-WDEREUQCSA-N	322.361	1.280	50	20	DDGD	
C[C@@H](C(=O)NNC(=S)Nc1ccccn1)C(=O)OC(C)(C)C	874956079	KCHYXONGHQKAQX-VIFPVBQESA-N	324.406	1.377	50	20	DDGD	
CCC1(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)CC1	772905800	QAHBAPXMBCRETL-UHFFFAOYSA-N	323.780	1.294	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1coc(-c2ccc(C)cc2)n1	779821418	VKNQFZOCJXDDLJ-UHFFFAOYSA-N	316.317	1.456	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@H]1CCO[C@H](C)C1	770754454	RYMIHEUPKMNAPJ-OLZOCXBDSA-N	305.378	1.754	50	20	DDGD	
CCOCc1ccc(NC(=O)C(=O)NNc2ccccn2)cc1	1116543674	AZGSZJJNHKSDMV-UHFFFAOYSA-N	314.345	1.700	50	20	DDGD	
CC(=NNC(=O)CN(C)C)[C@@H]1CCN(Cc2ccccc2)C1	779773884	ORUBSALZTARJKC-MRXNPFEDSA-N	302.422	1.562	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1sc(CC)nc1C	772068708	XRQHVBPXZOFKQI-MRVPVSSYSA-N	313.379	1.117	50	20	DDGD	
COc1nc(C)ccc1C(=O)NNC(=O)c1ccc(C)cc1O	777522462	QLDKIACSZAZWKD-UHFFFAOYSA-N	315.329	1.487	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1nsc2ccccc12	880019825	XBSRUIFVOMYOJZ-DTWKUNHWSA-N	320.374	1.874	50	20	DDGD	
C[C@H](CBr)COC(=O)CCn1ccccc1=O	770343963	IJSKHVCJHHKKQV-SNVBAGLBSA-N	302.168	1.813	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(Cc1ccccn1)C1CC1	772282446	ZEBFWUOXFOCXBB-ZDUSSCGKSA-N	318.421	1.628	50	20	DDGD	
CC(=O)Nc1ccc(CNS(=O)(=O)CCCCl)cn1	882137830	WECKDLFBIRDCKZ-UHFFFAOYSA-N	305.787	1.088	50	20	DDGD	
O=C(Cc1ccccc1CO)NNc1ncnc2ccsc12	779814486	DXAMXDROONDCEN-UHFFFAOYSA-N	314.370	1.869	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)CNc2ccccc2)o1	773921778	NEGAOSIDUZXCAW-UHFFFAOYSA-N	301.302	1.355	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc(OC)c2ccccc12	779820481	BBBMMVGNDOYUOK-UHFFFAOYSA-N	315.329	1.655	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCc1cccc2c1OCO2	770223425	PFAZQPCXBAVIDM-UHFFFAOYSA-N	307.350	1.478	50	20	DDGD	
Cc1nn(C)c(NC(=O)C(=O)NNc2ccccc2F)c1C	782705824	MZLPSUOYWGAZPH-UHFFFAOYSA-N	305.313	1.258	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C2CCOCC2)oc2c1C(=O)CCC2	883061196	LWHWDZNAODVPNP-UHFFFAOYSA-N	320.345	1.295	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ccc(N2CCCC2=O)cc1	782545159	PBAZDACVUXWFFM-UHFFFAOYSA-N	316.361	1.766	50	20	DDGD	
C[C@H](C#N)CNC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	781948532	ARDGZLZMURCNKX-VHSXEESVSA-N	320.418	1.977	50	20	DDGD	
Cn1nc2c(c1NC(=O)NNC(=O)OC(C)(C)C)CCCC2	880620042	NYHJPUNJJFNAGN-UHFFFAOYSA-N	309.370	1.860	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cn(C)nc1C1CCCCC1	783865613	DCPHITKBGBKCDD-UHFFFAOYSA-N	321.381	1.274	50	20	DDGD	
C[C@@H](Cc1ccccc1)NC(=S)NNC(=O)c1cnccn1	786057755	LVVICWJZYUYXEB-NSHDSACASA-N	315.402	1.217	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1	897722005	RLMGYDNRIAXAMI-ZDUSSCGKSA-N	309.366	1.464	50	20	DDGD	
CN(C)CCOc1cccc(NC(=O)NN=c2cc[nH]cc2)c1	782017683	YYCYOTTUUILLMD-UHFFFAOYSA-N	315.377	1.593	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@H]1Cc2cc(F)ccc2O1	781825077	ZCWQUAYYHMTYOT-LLVKDONJSA-N	308.700	1.716	50	20	DDGD	
Cc1cscc1C(=O)NNc1ccccc1S(N)(=O)=O	788229610	ZSXJCXSRDNGBDE-UHFFFAOYSA-N	311.388	1.461	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2ncnc3[nH]cnc23)c2ccccc21	789906951	SPCQTBZYJVCPHG-SNVBAGLBSA-N	308.301	1.166	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cccnc1-n1cccn1	899992881	OSDJKSABHXZQEZ-UHFFFAOYSA-N	318.406	1.175	50	20	DDGD	
Cc1[nH]c2ccc(F)cc2c1C=NNC(=O)N1CCOCC1	782225035	UNTQJNKZZBRNJE-UHFFFAOYSA-N	304.325	1.991	50	20	DDGD	
CSSCCNC(=O)CSc1nnnn1C1CC1	791150804	ULQIXLBTHYYMBW-UHFFFAOYSA-N	305.454	1.228	50	20	DDGD	
Cc1c[nH]nc1C(=O)NNc1nnc(-c2ccccn2)s1	799728056	FENNAHMFWGILCQ-UHFFFAOYSA-N	301.335	1.389	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc(F)c(O)c(F)c2)n1	794084550	SICVLAKDLRMVHP-UHFFFAOYSA-N	307.256	1.449	50	20	DDGD	
CCc1ccnc(CNC(=O)NNC(=O)c2ccccc2F)c1	798079081	NKHRMNTWSPQOPN-UHFFFAOYSA-N	316.336	1.927	50	20	DDGD	
O=C(NC[C@@H]1CC1(Cl)Cl)NNc1nc2ccccn2n1	790117420	IPQWSYSDQWASSG-ZETCQYMHSA-N	315.164	1.549	50	20	DDGD	
CC(=NNC(=O)C1CC1)c1cc(S(N)(=O)=O)c(C)cc1C	794457742	ZLPUPJAOXVHXGT-UHFFFAOYSA-N	309.391	1.201	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@@H]2CCC(=O)[C@@H]2C)nc1	793734882	GQBHSJMEURHXOI-ZJUUUORDSA-N	305.334	1.317	50	20	DDGD	
CN1CCN(C(=O)NN=C2CC(C)(C)Oc3ccccc32)CC1	790176160	NKFRIROAANZRPJ-UHFFFAOYSA-N	316.405	1.909	50	20	DDGD	
COc1cccc(NNC(=O)CCc2ccccc2C(N)=O)n1	792303923	VLQIWQYFELNMQK-UHFFFAOYSA-N	314.345	1.265	50	20	DDGD	
CC(=O)Nc1ccc(C=NNC(=O)c2ccc(O)c(O)c2)cc1	794558685	IANULVLZWMAIPY-UHFFFAOYSA-N	313.313	1.820	50	20	DDGD	
O=C(NNC(=O)c1occ2c1CCC2)c1cccc([N+](=O)[O-])c1	794718174	GSMGOTHALGAJRM-UHFFFAOYSA-N	315.285	1.751	50	20	DDGD	
COc1cc(NNC(=O)[C@@H](NC(C)=O)C(C)C)ccc1Cl	790177935	RGIKSLWBZOPLKW-ZDUSSCGKSA-N	313.785	1.952	50	20	DDGD	
C=CCNC(=O)COC(=O)/C(C#N)=C\c1ccc(OC)cc1	798303541	MFFNWMSLFNWOTA-LCYFTJDESA-N	300.314	1.448	50	20	DDGD	
CO[C@H]1CCC[C@@H](CC(=O)NNC(=O)c2cccc(C#N)c2)C1	793419908	WGBOVWIGYQVZGQ-DOMZBBRYSA-N	315.373	1.915	50	20	DDGD	
Cc1nc2scc(C)n2c1C=NNC(=O)N1CCN(C)CC1	790174953	UFOKPFDEPQEPBO-UHFFFAOYSA-N	320.422	1.304	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc3nccnc3cc2F)o1	792214027	FVPNGQOGZVOFOR-UHFFFAOYSA-N	314.276	1.745	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN(CC(F)(F)F)C1)C1CCCC1	791507471	JNMKDADYXPZGHX-JTQLQIEISA-N	307.316	1.208	50	20	DDGD	
CCOc1ccc(O)c(C=NNC(=O)N2CCN(C)CC2)c1	790176416	OXZSQEQBWLQSRJ-UHFFFAOYSA-N	306.366	1.082	50	20	DDGD	
COc1cccc(C2=NO[C@@H](C(=O)NNC(=O)CC(C)C)C2)c1	792046272	IVUSQCVHZQXBQZ-CQSZACIVSA-N	319.361	1.382	50	20	DDGD	
Cc1ccc([C@@H](O)[C@H](C)NS(=O)(=O)CBr)cc1	796105858	ROWBJMDNKZZTDS-ONGXEEELSA-N	322.224	1.689	50	20	DDGD	
O=C(NN=Cc1cnc2ncccn12)c1n[nH]c2c1CCCC2	1319495623	IVTHYLVZKDVWHA-UHFFFAOYSA-N	309.333	1.095	50	20	DDGD	
O=C(NNc1cncc(Br)c1)c1n[nH]c2c1CCC2	1319527680	XFNKCNXXWJHAJM-UHFFFAOYSA-N	322.166	1.813	50	20	DDGD	
CC(C)(C=NNC(=O)c1cccc2ncccc12)S(C)(=O)=O	1319588095	LMANABORFNLWCY-UHFFFAOYSA-N	319.386	1.774	50	20	DDGD	
Cc1c(C(=O)NNC(=S)NC(C)C)oc2c1C(=O)CCC2	1323151283	JNQUEKYZKLTPSF-UHFFFAOYSA-N	309.391	1.624	50	20	DDGD	
CCc1cc(C(=O)NC[C@]2(C)C[C@@H]2Br)nn1C	1328632879	ALELDLADHSJRKS-JQWIXIFHSA-N	300.200	1.886	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)N[C@H]1C=CCCC1	1329890428	GNRLAMVUAXPAPU-LBPRGKRZSA-N	324.425	1.368	50	20	DDGD	
Cc1nc2ccc(NC(=O)C(=O)NNc3ncccn3)cc2o1	1320398353	NSXYUIUUWHXZDB-UHFFFAOYSA-N	312.289	1.008	50	20	DDGD	
Nc1cnnc(NNC(=O)c2csc([N+](=O)[O-])c2)c1Cl	1322678672	AIQNECZYGXQFRT-UHFFFAOYSA-N	314.714	1.439	50	20	DDGD	
O=C(NNc1ncccn1)[C@@H]1CCCCN1Cc1ccncc1	1338807763	SWYBQVDFSLUUMW-AWEZNQCLSA-N	312.377	1.369	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cc2c(cc1Cl)NC(=O)CO2	1335971229	QSGWYJFZDHTARH-UHFFFAOYSA-N	323.736	1.232	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1n[nH]c2c1CCCC2)C(F)(F)F	1252172312	IJWYMSGSLOKEJC-ZCFIWIBFSA-N	304.272	1.248	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H](C)[C@H]1CCC(=O)N1)c1ccccc1	1334998014	YLOUMBVEAFTBPJ-FPMFFAJLSA-N	317.389	1.242	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)N2CC[C@@H]2CO)cc1	1340418670	WHDLIBVQDLIRGX-CYBMUJFWSA-N	305.378	1.405	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCC[C@H]2OC)c1	1347278691	JJDKKVSLMQPOQL-ZIAGYGMSSA-N	317.414	1.801	50	20	DDGD	
Cc1cnn(CC2CC2)c1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	1345791895	QOSXMTZGBXDZSE-JQWIXIFHSA-N	321.381	1.179	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)[C@H]1CN2CCN1C[C@H]2C	1347663134	NMDMELUGMUGEHA-DGCLKSJQSA-N	308.813	1.480	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1CSc2ccccc21	1345736322	ACEOYAFFTFUEEB-NHCYSSNCSA-N	321.402	1.589	50	20	DDGD	
C[C@@H]1COC[C@@H]1NC(=O)NNc1cc(C(F)(F)F)ccn1	1340746347	GTEYYNZZYWZSIO-APPZFPTMSA-N	304.272	1.761	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNc1nncc(N)c1Cl	1343727629	VVBQANJVMYCOOP-UHFFFAOYSA-N	315.761	1.135	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H](c2cnn(C)c2)C(C)C)nc1	1344548272	NJDSFTYGXNOOHA-AWEZNQCLSA-N	318.381	1.847	50	20	DDGD	
O=C(NN=Cc1cccnc1Br)C1CCOCC1	1353090080	VGBYOUNTQIRELB-UHFFFAOYSA-N	312.167	1.721	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2)oc1C(=O)O	1600095767	XOILALGLGGTIQR-UHFFFAOYSA-N	305.246	1.951	50	20	DDGD	
C[C@]1(CNC(=O)C23CC(C(=O)O)(C2)C3)C[C@@H]1Br	1604575417	KSIDUGYGFKUJJK-UMWNWRQMSA-N	302.168	1.531	50	20	DDGD	
O=C(NNc1ncccn1)N[C@@H]1C[C@H](C(=O)O)c2ccccc21	1605820972	PANBTXLUAWYWMG-NWDGAFQWSA-N	313.317	1.416	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCCCC(=O)C(=O)O	1601045642	GXWJFGDUCKGFLD-FLIBITNWSA-N	303.270	1.276	50	20	DDGD	
COCCN(CCC(=O)O)C(=O)[C@@]1(C)C[C@@H]1Br	1604597837	OEGZTJUANSMWIX-KWQFWETISA-N	308.172	1.110	50	20	DDGD	
COCC1(C(=O)NNc2ccc(C(=O)O)cn2)CCCCC1	1606821773	JQKHPYMJOHLBHN-UHFFFAOYSA-N	307.350	1.820	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)Cn1cc(C(=O)O)cn1	1600535576	XGPPHBMLDRMLDZ-UHFFFAOYSA-N	308.725	1.686	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(OCC(=O)O)cc2)n1	1607325864	KCJUDZXLLGSWCF-UHFFFAOYSA-N	317.301	1.311	50	20	DDGD	
C[C@@H](CC(=O)O)NC(=O)NNC(=O)c1cc2ccccc2o1	1603125017	BUIJCIYIVANIHO-QMMMGPOBSA-N	305.290	1.240	50	20	DDGD	
COC[C@]1(C(=O)O)CCCN1C(=O)C1CCC(Cl)CC1	1606830451	NSKMEZZNSDLOEJ-MGULZYLOSA-N	303.786	1.876	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)C(=O)c1ccc(O)cc1	1610699559	BCDJKLVLGVOLDY-UHFFFAOYSA-N	300.270	1.416	50	20	DDGD	
O=C(NN=C1CCOC2(CCC2)C1)[C@H]1CN2CCC[C@@H]2CO1	1549315279	NXVWULFDBQPZOE-ZIAGYGMSSA-N	307.394	1.055	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)NN=Cc1nccs1	1549315319	MKIVESFIIMZLMP-GXFFZTMASA-N	319.390	1.495	50	20	DDGD	
O=C(NN=C1CCC(F)(F)CC1)[C@H]1CN2CCC[C@@H]2CO1	1549316196	ROMBRADTXPXQOR-VXGBXAGGSA-N	301.337	1.531	50	20	DDGD	
COCC(=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccnn1C)C(C)C	1549319122	IHHIPZIOFOEDQC-DOMZBBRYSA-N	322.409	1.662	50	20	DDGD	
Cc1sc(CN)nc1C(=O)NNCC(F)(F)C(F)(F)F	1579934342	HAOPWJILTGLHMR-UHFFFAOYSA-N	318.271	1.342	50	20	DDGD	
CC(C)c1ccc(NNC(=O)[C@@H](C)N2CCNCC2=O)cc1	1575859008	XCUXJAHVLLKLHU-GFCCVEGCSA-N	304.394	1.073	50	20	DDGD	
C=C1CC(C(=O)N2CCCC23CN(C(=O)C(Cl)Cl)C3)C1	1841020362	PYMDSROGLYZNMC-UHFFFAOYSA-N	317.216	1.960	50	20	DDGD	
C[C@H](C(=O)O)C(=O)NNc1ccc(F)cc1Br	1588576446	RECDPJPKFXBGLZ-YFKPBYRVSA-N	305.103	1.752	50	20	DDGD	
C[C@@H]1[C@H](C(=O)O)CCN1C(=O)NC[C@@]1(C)C[C@@H]1Br	1594151821	ZKYKLFRTQQCYFW-KZFFXBSXSA-N	319.199	1.665	50	20	DDGD	
C[C@H]1COCC[C@H]1NC(=O)NNc1ccc(F)c(C(=O)O)c1	1594604491	QDJYAHGIIFJCPQ-QPUJVOFHSA-N	311.313	1.575	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)Cc2ccccc2C(=O)O)c1	1594435927	ONRIWFQXEXRUGJ-UHFFFAOYSA-N	318.354	1.758	50	20	DDGD	
COC(=O)c1cc(OC(=O)[C@H](C(=O)O)C2CC2)ccc1[N+](=O)[O-]	1593881542	IEDRVAXKBVBUKS-NSHDSACASA-N	323.257	1.398	50	20	DDGD	
O=C(Cc1cnccc1Cl)NNc1ncccc1C(=O)O	1594711594	BNFPJFHQLNXJTG-UHFFFAOYSA-N	306.709	1.514	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2(Cc3ccccc3)CCC2)[nH]n1	151178889	CBYKKDBMCVFTRS-UHFFFAOYSA-N	312.373	1.892	50	20	DDGD	
Cn1cnnc1[C@H]1CCCN1S(=O)(=O)CC(C)(C)CCl	867038333	JNBNHEHKWCAUHN-SNVBAGLBSA-N	320.846	1.547	50	20	DDGD	
BrC[C@H](CN1CCO[C@@H]2COCC[C@@H]21)C1CC1	933968485	LZYYNLLQIAUCBD-FRRDWIJNSA-N	304.228	1.897	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Cc1c(C)nn(C)c1C	10330244	SFOVPQSEOMIWLJ-UHFFFAOYSA-N	300.362	1.349	50	20	DDGD	
Cc1ccc(CCC(=O)NNC(=O)Cc2cc[nH]n2)c(C)c1	106416637	NFORAAWXDQKJOC-UHFFFAOYSA-N	300.362	1.349	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	176695129	IKYWTRJWKFEZJA-UHFFFAOYSA-N	313.361	1.923	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1ncccc1C	176125353	LCEHHURXVFRSBY-UHFFFAOYSA-N	314.345	1.272	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1ccc(F)c(F)c1	103060316	RPXJOYVODGDOJC-UHFFFAOYSA-N	306.334	1.711	50	20	DDGD	
CCC(CC)N1C[C@@H](C(=O)NNC(=O)CC2CCCC2)CC1=O	109621334	CEQNRHYBKSAZSH-ZDUSSCGKSA-N	323.437	1.751	50	20	DDGD	
COc1ccccc1NCC(=O)NNc1nc(C)cc(C)n1	112859278	JOAIFRSRNWWPPS-UHFFFAOYSA-N	301.350	1.657	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C2[C@H]3CCC[C@H]23)cc1	178151697	RCTFJXBIIDHPGJ-KBPBESRZSA-N	302.374	1.821	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(Br)nc1	174098128	LGPXKHYRRNJNCD-UHFFFAOYSA-N	300.156	1.651	50	20	DDGD	
CCc1ncc(C(=O)NNC(=O)c2cccc(C#N)c2)s1	103400569	GLUIXPOJJIQFEX-UHFFFAOYSA-N	300.343	1.652	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)C1=Cc2ccccc2OC1	60415107	HRTWFLKUKQAHQC-UHFFFAOYSA-N	315.251	1.355	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccc3c(c2)nnn3C)cc1	103732405	DORKZSPWGQIYHY-UHFFFAOYSA-N	323.356	1.606	50	20	DDGD	
CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)NNC(=O)c1ccc[nH]1	118588860	LHTTVRWPACZEHX-WCQYABFASA-N	322.409	1.800	50	20	DDGD	
C[C@H]1CC(C)(C)CC[C@H]1NC(=O)NNC(=O)c1cnn(C)c1	175870158	VNYSZZNRTVGUIB-CMPLNLGQSA-N	307.398	1.579	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCCC[S@@](C)=O)cc1	171850090	PGTUYNPKUTVQQN-YDYPUGOESA-N	320.414	1.877	50	20	DDGD	
CCC(=O)N1CCC(=NNC(=O)Cc2ccccc2OC)CC1	64306737	GHFRNKIGMRVYIR-UHFFFAOYSA-N	317.389	1.742	50	20	DDGD	
Cc1cccc([C@@H](C)NC(=O)NNC(=O)[C@@H]2CCCO2)c1C	115861275	KYYGCMUXPXSYDP-OCCSQVGLSA-N	305.378	1.874	50	20	DDGD	
COCCCNC(=O)NNC(=O)C[C@H]1CCc2ccccc21	115346340	CQRVXKBPOZQVLN-CYBMUJFWSA-N	305.378	1.473	50	20	DDGD	
O=C(Cc1csc(-c2cccnc2)n1)NNC(=O)NC1CC1	64429345	GVHILXMOVXQKSQ-UHFFFAOYSA-N	317.374	1.240	50	20	DDGD	
CCOc1ncccc1NC(=O)NNC(=O)c1ccc(C)o1	176857827	MPLMHWQJTWIETO-UHFFFAOYSA-N	304.306	1.848	50	20	DDGD	
O=C(CCc1nnc[nH]1)NNC(=O)Cc1ccc2ccccc2c1	125835655	LUEGEMCJQGJRMA-UHFFFAOYSA-N	323.356	1.281	50	20	DDGD	
CCc1nnsc1C(=O)NNc1cnc2ccccc2n1	183687746	PGBYJXZVSOSIEX-UHFFFAOYSA-N	300.347	1.801	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)NC[C@@H]1CCCO1	65145760	APYMSEHWVGPGPO-ZDUSSCGKSA-N	316.361	1.151	50	20	DDGD	
O=C(NNc1ccccn1)NC1CCN(CC(F)(F)F)CC1	63356865	WVBDORHGSYARJP-UHFFFAOYSA-N	317.315	1.734	50	20	DDGD	
COCCCNC(=O)NNC(=O)C1(c2cccc(F)c2)CCC1	65206030	TWNJHBLKCRNFSN-UHFFFAOYSA-N	323.368	1.614	50	20	DDGD	
CN1CCO[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)C1	125269353	MRKJKVZZCPLWFB-NSHDSACASA-N	314.729	1.022	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)cc1F	126177699	XQWUBZLYJNBTDY-UHFFFAOYSA-N	309.341	1.656	50	20	DDGD	
CNS(=O)(=O)c1cccc(C(=O)NNc2cccc(C)c2)c1	124130500	GZIGWKCHHBYVAQ-UHFFFAOYSA-N	319.386	1.660	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1c(F)cc(F)cc1F	186251946	QZKIYNQMXXTJSO-UHFFFAOYSA-N	310.235	1.965	50	20	DDGD	
Cc1cc(F)cc(NC(=O)C(=O)NNc2cncc(Cl)n2)c1	128286527	ICLGLMYQAKPXIX-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(-c3ccncc3)on2)n1	126821358	LJFNGECRQHMORI-UHFFFAOYSA-N	312.289	1.292	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	123133908	OZMRINLIFQCZIE-RTXFEEFZSA-N	309.410	1.711	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C[C@@H]2CCC[C@@H]2C)c1O	184675008	IMVPRQVPYZAVBS-QWRGUYRKSA-N	306.362	1.988	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cn2ccc3ccccc32)[nH]1	126510953	UAGYXSSLMWQIFH-UHFFFAOYSA-N	307.313	1.302	50	20	DDGD	
CCOc1ccc(C(=O)NCC(=O)NNc2ccccn2)cc1	181911226	ZPYZFQQRIMOOOF-UHFFFAOYSA-N	314.345	1.353	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1ccnc(N2CCCC2)c1	79103734	DQTOXEUJDSXTKJ-UHFFFAOYSA-N	319.409	1.558	50	20	DDGD	
Cc1nn(CCC(=O)NNc2ccccn2)c(C)c1[N+](=O)[O-]	181189522	AIIDQTIRWMWEOE-UHFFFAOYSA-N	304.310	1.337	50	20	DDGD	
C[C@]1(C(=O)NNc2nc(-c3ccncc3)no2)CCCCN1	180999583	PSTAROSKMKXOJE-CQSZACIVSA-N	302.338	1.107	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)NCCN1CCNCC1	224748963	IPHFWTNVTIADAQ-CYBMUJFWSA-N	317.524	1.722	50	20	DDGD	
COC[C@H](NC(=O)NNc1ncnc2ccsc12)C(C)C	131594079	KUEHJXFVZLIZNL-JTQLQIEISA-N	309.395	1.988	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccn(C2CCCC2)n1	191911791	LECNOVKQGVXIOG-UHFFFAOYSA-N	311.349	1.798	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCS[C@H](C)C1	137089697	YLMUOFXQSUWXAZ-CYBMUJFWSA-N	321.446	1.122	50	20	DDGD	
C[C@@H](CBr)CN1CCC(CS(C)(=O)=O)CC1	381518668	UKIKZRLDJFQZJE-JTQLQIEISA-N	312.273	1.774	50	20	DDGD	
CCOCCCCNC(=O)NNc1ccc(-n2cccn2)nn1	194563120	KXNZYGJEMXGDRJ-UHFFFAOYSA-N	319.369	1.105	50	20	DDGD	
COCc1nc(C(=O)NNC(=O)CCc2ccccc2)cs1	132407844	NKTOCMVCCCOAIH-UHFFFAOYSA-N	319.386	1.683	50	20	DDGD	
C[C@H]1Sc2ccc(C(=O)NNC(=O)C3CCC3)cc2NC1=O	264773530	OTRKJGZHBLOYIB-MRVPVSSYSA-N	319.386	1.680	50	20	DDGD	
CCCOc1ccc(CC(=O)NNC(=O)NC)cc1OCCC	269489393	NTRTZSIRCAQTES-UHFFFAOYSA-N	323.393	1.767	50	20	DDGD	
COCCCC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	266509076	GWAOWYREAJPCNS-UHFFFAOYSA-N	317.292	1.867	50	20	DDGD	
C[C@@](O)(Cc1ccccc1)C(=O)NNC(=O)NCc1ccco1	266787141	AQFATCYTWCYHNP-MRXNPFEDSA-N	317.345	1.104	50	20	DDGD	
O=S(=O)(CBr)NCCc1c(F)cccc1F	272861091	XJJDJGVWVKYFRS-UHFFFAOYSA-N	314.151	1.779	50	20	DDGD	
COCCOc1cc(OC)ccc1C(=O)NNc1ccncc1	276524230	KBUBQLOOONZRBT-UHFFFAOYSA-N	317.345	1.872	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc(C)c(C)c1O	271360717	DVHDDQYFXODTJS-UHFFFAOYSA-N	313.448	1.481	50	20	DDGD	
C=C(CBr)CN1CC[C@H](C(=O)N2CCCC2)C1	368620175	WYADOHVTUCXBHM-LBPRGKRZSA-N	301.228	1.882	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCCC[C@@H](C)CO)c1ccccc1	270526043	NLDAUKBFNITLSG-HIFRSBDPSA-N	321.421	1.919	50	20	DDGD	
CC(C)(C)c1ccccc1NC(=O)C(=O)NNC(=O)C1CCC1	274106445	PWKAKQGPRRRWCP-UHFFFAOYSA-N	317.389	1.870	50	20	DDGD	
O=C(NC1CCN(CCI)CC1)C1CC1	365376829	DWXDZBCUQWNPIS-UHFFFAOYSA-N	322.190	1.412	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NO[C@H]1CCCCO1)c1ccccc1	274855073	BMYUWSBJAJSYAO-KGLIPLIRSA-N	321.377	1.969	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(F)(F)C2(O)CCCC2)n1	278507719	BASUEZPZJMKDQR-UHFFFAOYSA-N	300.309	1.477	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C2CC2)c2cccnc12	274093035	NMMUHBUGHJNMHG-UHFFFAOYSA-N	300.318	1.806	50	20	DDGD	
C=C(Cl)CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C(C)(C)C	277064495	AUGJHLGBOYGMCP-UWVGGRQHSA-N	303.790	1.521	50	20	DDGD	
CSc1ccc(C)c(NC(=O)C(=O)NNC(=O)CC2CC2)c1	274046253	HINPLMZKSSDQLH-UHFFFAOYSA-N	321.402	1.603	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cccc(Cn2cncn2)c1	273483074	LQWYQONNQSJXPU-UHFFFAOYSA-N	316.365	1.525	50	20	DDGD	
O=S(=O)(CBr)NCCc1ccc2c(c1)CCO2	272823431	POSBLOFMCYWUPT-UHFFFAOYSA-N	320.208	1.436	50	20	DDGD	
COCCN(C)NC(=O)COc1cccc(C(F)(F)F)c1	288415705	GWNTUTIPCKTYCY-UHFFFAOYSA-N	306.284	1.694	50	20	DDGD	
CSSCCNC(=O)NCCNC(=O)c1cccnc1	284327544	WJOKOUSNKWIOEJ-UHFFFAOYSA-N	314.436	1.122	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NNc1nccnc1C1CCC1	286889628	GAUPGHAHTHCQIX-CYBMUJFWSA-N	317.393	1.588	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc2c(c1)NC(=O)CS2	294305775	XGYJWRZUZVDDJJ-UHFFFAOYSA-N	305.359	1.292	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)Cc2ccccc2F)ccn1	806662187	AFWRZXUKLJFIRR-UHFFFAOYSA-N	318.308	1.625	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)N[C@H]1C[C@H](c2ccccc2)C1	296853574	LDEVGVHULRQZFR-RBSFLKMASA-N	317.389	1.832	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1CNC(=O)NNC(=O)C(C)(C)C	298966832	YURCDSNTMTWCDI-UHFFFAOYSA-N	324.337	1.480	50	20	DDGD	
Cc1cc(C)n2nc(C)c(C(=O)NNc3ncccc3F)c2n1	804219243	UVFPUESCQCTMJX-UHFFFAOYSA-N	314.324	1.946	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cc(O)cc(C#N)c2)c1	809755516	JCCDMROMYKXUDX-UHFFFAOYSA-N	311.297	1.807	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)COc1cccc(C)c1)OC	291069630	GWPWMDVMRCOMFX-LBPRGKRZSA-N	309.366	1.129	50	20	DDGD	
O=C(NCCc1ccccc1[N+](=O)[O-])NNc1cccc(F)n1	805157659	IBARLDYTKVQOIM-UHFFFAOYSA-N	319.296	1.998	50	20	DDGD	
N#CC1(C(=O)NNC(=O)COc2ccc(F)cc2)CCCCC1	299130149	LPIWFKJIOZGHKZ-UHFFFAOYSA-N	319.336	1.826	50	20	DDGD	
O=C(CCSc1ccccn1)NNC(=O)[C@H]1CCCCO1	295708274	JKFCOJVBJSEUEJ-LLVKDONJSA-N	309.391	1.280	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NOCC1CC1	297219346	FUMGUMGJNFFCMY-UHFFFAOYSA-N	307.350	1.300	50	20	DDGD	
C[C@@H](CN(C)C)NC(=O)NNC(=O)Nc1cccc(Cl)c1	298050760	SNHDQZVLABDLMB-VIFPVBQESA-N	313.789	1.626	50	20	DDGD	
CCc1[nH]nc(C(=O)NN(C)C(=O)OC(C)(C)C)c1[N+](=O)[O-]	297667351	NNRPYFFIPXLNFZ-UHFFFAOYSA-N	313.314	1.392	50	20	DDGD	
Cc1ccc2c(c1)CC[C@H](C(=O)NNC(=O)[C@@H]1CCCO1)O2	292179576	QKDYXICMKJPABO-UONOGXRCSA-N	304.346	1.015	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc2oc(=O)ccc2c1	299193324	KDNJYWSWDZDCOY-UHFFFAOYSA-N	303.318	1.992	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@]12CCc1ccccc12)[C@@H]1CCCO1	292164544	OWYHENIHXYGTQW-KEYYUXOJSA-N	300.358	1.217	50	20	DDGD	
CC(=O)N1C[C@H]2[C@@H](NC(=O)NNC(=O)C(C)(C)C)CCC[C@H]2C1	808268423	MVSQNYAKEQOWMY-XQQFMLRXSA-N	324.425	1.010	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cccc(Cl)c2)n1	809934242	NFCDBIPOTKADLY-UHFFFAOYSA-N	300.705	1.681	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)O1	294383776	WRDLURYVBNJWFF-MGAJZRQESA-N	324.327	1.783	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802118964	SDCLYKILMWVEJJ-OLZOCXBDSA-N	306.366	1.330	50	20	DDGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)CO)c1C	298330942	MYMXMIPGXDTMTO-ZNESDEBXSA-N	319.405	1.716	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccccc1OC1CC1	806994729	GARXNNUPBZLMRY-UHFFFAOYSA-N	311.341	1.627	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C[C@@H]1COc2ccccc2O1	294320507	JXMASGVREQOCSN-SNVBAGLBSA-N	308.334	1.772	50	20	DDGD	
COCC1(CNC(=O)NNc2ncccc2F)CCOCC1	292371727	AKPWJQXAHNDOTE-UHFFFAOYSA-N	312.345	1.290	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2c[nH]nc2-c2ccccn2)n1	811479194	BFTKWGSGFKYRDQ-UHFFFAOYSA-N	322.328	1.250	50	20	DDGD	
Nc1c(C(=O)NNc2ncncc2F)cc(F)cc1[N+](=O)[O-]	817078233	VYMCVRPJKLILKY-UHFFFAOYSA-N	310.220	1.002	50	20	DDGD	
O=C(NN=Cc1cc(CO)ccc1O)c1cccc([N+](=O)[O-])c1	814684289	LWKILWYJYAFPJK-UHFFFAOYSA-N	315.285	1.557	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	812534948	QSXFOYXQMIRKKB-VHSXEESVSA-N	311.338	1.965	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H](C)[C@@H](C)COC)c1	812536506	DZTNPRJWGRVGHL-NWDGAFQWSA-N	319.430	1.904	50	20	DDGD	
Cc1nc(NC(=O)NNC(=O)CO)ccc1-c1ccccc1	810275527	PJVWJWJAOGODPC-UHFFFAOYSA-N	300.318	1.202	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1ccc(Br)nc1	815000302	IEVTXSCRCAUSSV-UHFFFAOYSA-N	320.150	1.817	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=Cc2nccs2)C[C@@H](C)O1	814766937	UCIXUNJOSGWQDB-SDDRHHMPSA-N	310.423	1.339	50	20	DDGD	
O=S(=O)(CBr)NC[C@@H](CO)C1CCCCC1	815074823	FTUREZZIOHIIHF-JTQLQIEISA-N	314.245	1.447	50	20	DDGD	
Cn1c(Cl)nc(Cl)c1C=NNC(=O)N=c1cc[nH]cc1	815002839	SXNKXMUBNOGZDC-UHFFFAOYSA-N	313.148	1.699	50	20	DDGD	
CC(C)c1ncncc1C(=O)NNC(=O)c1cccc(C#N)c1	728826461	JCVCUYLDCWEEDJ-UHFFFAOYSA-N	309.329	1.546	50	20	DDGD	
C#Cc1ccc(C(=O)NNc2nc(-c3cccnc3)no2)nc1	728970254	MOZNGVLWWPETEF-UHFFFAOYSA-N	306.285	1.265	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)c1ccc(OC)cc1OC	812502387	KCBDQXACGXXZMR-GHMZBOCLSA-N	324.377	1.383	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1cccc(CO)c1	813446088	QVBLIHFJCVTBCJ-UHFFFAOYSA-N	302.305	1.322	50	20	DDGD	
C[C@@H](CCO)C1(CNC(=O)/C(C#N)=C\c2cnn(C)c2)CCC1	491103906	MDEBZATVVQROEQ-PBTLCFMXSA-N	316.405	1.632	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H](C)Cc1ccsc1	825747931	DUIGZMAAQPFNBY-JFGNBEQYSA-N	311.407	1.435	50	20	DDGD	
CC(=O)OCC(C)(C)CC(=O)NN(C)C(=O)OC(C)(C)C	496590653	XMBQWRYANKGLFV-UHFFFAOYSA-N	302.371	1.864	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1cccc(-c2nn[nH]n2)c1)C(C)C	821676708	FTAVOZWGBRNVLF-LBPRGKRZSA-N	319.369	1.164	50	20	DDGD	
O=C(CCN1CCOC1=O)NNc1ccc(F)c(F)c1F	493981470	LAKBCSLWQKJNFH-UHFFFAOYSA-N	303.240	1.389	50	20	DDGD	
CN(C)C1CCC(NC(=O)NNC(=O)OC(C)(C)C)CC1	497052049	FPMJYNVWECPQOM-UHFFFAOYSA-N	300.403	1.598	50	20	DDGD	
CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NNc2cccnn2)C1	492787371	CLGZMOPCGJERHE-SNVBAGLBSA-N	319.365	1.177	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)/C=C/c1ccc[nH]1	492795814	GTQMLFFFUUKCRN-MDZDMXLPSA-N	313.357	1.817	50	20	DDGD	
CC(C)c1ccc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1	728438005	ZMMNWTPIVKSSQG-LLVKDONJSA-N	311.407	1.198	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cn(-c2ccc(F)cc2C)nn1	496819062	LBTOEGWJEKJNTI-UHFFFAOYSA-N	307.285	1.058	50	20	DDGD	
Cc1ccc(CNCc2ccc(B(O)O)o2)c(OC(C)C)c1	585028550	MZAWWAQPHJIURD-UHFFFAOYSA-N	303.167	1.345	50	20	DDGD	
COc1cccc(C(=O)CCCC(=O)NN(C)[C@H](C)CO)c1	823924036	XSEMMKSRCMLMPJ-GFCCVEGCSA-N	308.378	1.392	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)C1(C)CCC(=O)CC1	827159520	GKOYYEAHRFQOGH-UHFFFAOYSA-N	302.374	1.834	50	20	DDGD	
CC[C@H](O)[C@@H](C)C(=O)NNC(=O)Cn1ccc2ccccc21	900590749	NKLNTFMLHCPDQW-RISCZKNCSA-N	303.362	1.196	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCc1cccc(Br)c1	823988106	PLNLGVJCNBPSFF-JTQLQIEISA-N	315.211	1.726	50	20	DDGD	
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NNC(=O)Cc2cc[nH]n2)o1	730103141	YIDMPSSPBRCBKS-MFKMUULPSA-N	316.361	1.449	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cccc(O[C@H](C)C(=O)O)c1	490611396	QIBSAUADPMDUGO-JYVXZMADSA-N	318.329	1.208	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)c2ccccc2OC)o1	731488162	XIQUGLZKPJYFJZ-UHFFFAOYSA-N	302.286	1.839	50	20	DDGD	
O=C(CN1CCC[C@H](F)C1)NNC(=O)c1cccc(Cl)c1	902995052	BHQXHWIYFRGWSJ-LBPRGKRZSA-N	313.760	1.535	50	20	DDGD	
COc1ccc(C[C@@H](C)CNCc2ccccc2B(O)O)cc1	585031544	HCQIVAGQVGCCNZ-CQSZACIVSA-N	313.206	1.343	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)/C=C/[C@H]2CCOC2)cc1F	493021742	MRRVADQEBDJDBY-FWYAXHSGSA-N	308.309	1.648	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2CCOC3(CCCCC3)C2)c1	585031096	QHLQLMMAWYMZMB-MRXNPFEDSA-N	303.211	1.338	50	20	DDGD	
CN(CC(=O)N1CCCC1)C(=O)[C@@]1(C)C[C@H]1Br	905504723	MEEKBTQDLWBQOD-SKDRFNHKSA-N	303.200	1.241	50	20	DDGD	
O=C(NCB(O)O)[C@@H](Sc1ccc(F)cc1)c1ccccc1	585059729	YPAFQMUHCDFYKS-AWEZNQCLSA-N	319.166	1.787	50	20	DDGD	
O=[S@@](c1ccc(N2CC[C@H](B(O)O)C2)cc1)C(F)(F)F	900964956	IZRUPIXBAGHHJQ-FHZGZLOMSA-N	307.102	1.367	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1c[nH]c2ncccc12	732065334	APXRCXQZBHUFLB-UHFFFAOYSA-N	321.300	1.765	50	20	DDGD	
Cc1nn(-c2cccc(F)c2)cc1C(=O)NNC(=O)CC1CC1	839780861	XTLRTAQZAOBAHI-UHFFFAOYSA-N	316.336	1.881	50	20	DDGD	
C[C@@H]1Oc2cc(F)ccc2[C@@H]1NCc1ccc(B(O)O)cc1F	585040902	RIGTTWQMZWXNMN-XXFAHNHDSA-N	319.116	1.256	50	20	DDGD	
C=C(CI)n1cc(CNC(=O)CC)nn1	900641247	QASBJZVEJZPKRD-UHFFFAOYSA-N	320.134	1.210	50	20	DDGD	
C[C@@H](NCc1ccc(B(O)O)cc1)[C@H](c1ccccc1)N(C)C	585036080	DFUGMEHLIFARGA-RDTXWAMCSA-N	312.222	1.147	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H](O)C(C)(C)C	735836148	CYWSPAUNBAULMP-BXKDBHETSA-N	312.341	1.147	50	20	DDGD	
Cc1ccccc1[C@@H](CC(=O)NNc1cccnn1)NC(N)=O	736704043	HQKLEMJIRNWLQI-GFCCVEGCSA-N	314.349	1.028	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H]2CCCCN2C)c1	731892253	YNOWVBFAVASPQH-CQSZACIVSA-N	319.405	1.314	50	20	DDGD	
CCc1c(C(=O)NNC(=O)[C@H](CC)c2ccccc2)cnn1C	731996364	LWASOPQVUJWOKJ-CYBMUJFWSA-N	314.389	1.937	50	20	DDGD	
COCCOc1ccc(NCc2cccc(B(O)O)c2)cc1	585012153	NVGGVFMRQLFNBL-UHFFFAOYSA-N	301.151	1.004	50	20	DDGD	
CN(C)Cc1cccc(C(=O)NNC(=O)[C@H]2CCCCO2)c1	833256581	OYRWTYNRHBCVRE-CQSZACIVSA-N	305.378	1.078	50	20	DDGD	
CS[C@H]1CCN(CC(=O)NNC(=O)Cc2ccccc2C)C1	830890188	XFKBVMVPXGNIAS-AWEZNQCLSA-N	321.446	1.122	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)c1ccn(C)n1	838772248	CZRUPZPDZHBVPD-SNVBAGLBSA-N	319.340	1.193	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)C(=O)O)c1C	738067900	OEFTXTBRLKDWQW-KYJZABPNSA-N	319.361	1.248	50	20	DDGD	
CC(C)C[C@H](C(=O)NNC(=O)c1ncon1)c1ccccc1	832826277	VHJCUIAGZAAIJV-LBPRGKRZSA-N	302.334	1.661	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2cccc(S(C)(=O)=O)c2)C[C@@H](C)O1	834941193	MRSWZHHPSPQQHD-PHIMTYICSA-N	324.402	1.763	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cccc2cc[nH]c12	831694537	MCDUEUPLFYERKO-GXSJLCMTSA-N	302.334	1.746	50	20	DDGD	
CO[C@@H]1CCCCC1=NNC(=O)COc1ccccc1C#N	915948437	LLBSVGZEQSWLEC-OAHLLOKOSA-N	301.346	1.998	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H](C)CN(C)C)c1F	838591482	IOBJXZDQLPLZSK-VIFPVBQESA-N	312.345	1.189	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)OCCO[C@@H]2CCCCO2)cn1	837971498	PBQJZIAQOJCXFT-YLHGKKIISA-N	305.334	1.413	50	20	DDGD	
CC(C)(C)c1n[nH]c(CNC(=O)NNc2ccc(Cl)nc2)n1	838755377	CQRFGFDOLSISHO-UHFFFAOYSA-N	323.788	1.977	50	20	DDGD	
CCOC(=O)c1ccc(C=NNC(=O)c2ccccc2O)o1	748244722	PSKPPLFZUUXKCF-UHFFFAOYSA-N	302.286	1.926	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC[C@@H](c2cccc(F)c2)C1	744397497	OCQVXJJBTDAWTP-CYBMUJFWSA-N	321.396	1.809	50	20	DDGD	
CCNC(=O)COc1ccc(C=NNC(=O)C(C)C)cc1OC	916327808	SELZXZCNFJQQCF-UHFFFAOYSA-N	321.377	1.316	50	20	DDGD	
O=C(NCc1cccc2c1OCCCO2)NNc1ccncn1	836369568	YDVUIPOCWJUHCX-UHFFFAOYSA-N	315.333	1.464	50	20	DDGD	
CCCCCCCOc1ccc(C=NNC(=O)C(N)=O)cc1	915270224	RTJVXBVIXCCHJK-UHFFFAOYSA-N	305.378	1.971	50	20	DDGD	
NC(=O)C(=O)NN=C1CCOc2c(Cl)ccc(Cl)c21	748579564	LCAMWAAXPGZCQW-UHFFFAOYSA-N	302.117	1.082	50	20	DDGD	
CC(=NNC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(O)cc1	916352122	QRYMENWBHCUEFP-UHFFFAOYSA-N	322.328	1.522	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1cc(OC)ccc1O	740762494	UIKXMLDEDCSWMT-UHFFFAOYSA-N	321.377	1.546	50	20	DDGD	
COC[C@](C)(O)C(=O)NNc1ccc(Br)cc1F	748212990	DZUQYNMVAQLLOO-NSHDSACASA-N	321.146	1.429	50	20	DDGD	
C[C@H](OCc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843663620	YZBCSSVSYSXLBN-SUNKGSAMSA-N	324.352	1.303	50	20	DDGD	
CN(C)C(=O)CCCNC(=O)NNc1cc(F)ccc1F	914361687	FOSOBQQMEUCAIS-UHFFFAOYSA-N	300.309	1.459	50	20	DDGD	
Cc1oc2ccc(NC(=O)NNC(=O)CCCN)cc2c1C	841196151	PGUBMYZTQVGYNU-UHFFFAOYSA-N	304.350	1.941	50	20	DDGD	
CC1(C)Cc2cccc(C(=O)NNC(=O)c3ccnnc3)c2O1	848230967	MQGHVMZVLYLVRS-UHFFFAOYSA-N	312.329	1.265	50	20	DDGD	
C[C@@]1(C(=O)Nc2ccc(CO)c(CO)c2)C[C@H]1Br	912603529	TVFPIZOKJXZNKU-DGCLKSJQSA-N	314.179	1.783	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCCO2)NNc1ncc(F)cn1	843843625	YQIINOCSZWEHMR-UHFFFAOYSA-N	302.309	1.627	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@H]1CCc2ccccc2NC1=O	847396118	CXGCBYLTIMBCRX-ZDUSSCGKSA-N	316.361	1.070	50	20	DDGD	
COCCn1c(C)cc(C=NNC(=O)c2ncccn2)c1C	841663498	UTFUGRFMMAEOOF-UHFFFAOYSA-N	301.350	1.305	50	20	DDGD	
C[C@H]1C[C@@H](C)N(C(=O)NNC(=O)COCc2ccccc2)C1	740916902	DUEVDSXVDXMOSZ-QWHCGFSZSA-N	305.378	1.674	50	20	DDGD	
O=C(NCCN1CCCC1=O)NNc1cc(F)c(F)cc1F	845479264	KQPFINZTVCYVPG-UHFFFAOYSA-N	316.283	1.352	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNC(=O)c2ccccc2C)c(O)n1	915259592	BNNZYRFBNXNXAD-UHFFFAOYSA-N	314.345	1.111	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NC[C@H]2CNC(=O)C2)cc1	840396326	NRRSZPJBWVKLOL-LLVKDONJSA-N	304.394	1.746	50	20	DDGD	
CN(C)c1nccc(NNC(=O)Cc2cc(F)ccc2F)n1	743484515	PLOJMOKWNLAEPJ-UHFFFAOYSA-N	307.304	1.507	50	20	DDGD	
C[C@H]1CC(=NNC(=O)Cn2ccc3ccccc32)c2ncnn21	841623222	GQMFXQPJAADPQC-NSHDSACASA-N	308.345	1.718	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)C1CCCCC1)c1cccc(Cl)n1	912508622	USDFZXKCFYOWLL-LBPRGKRZSA-N	311.769	1.437	50	20	DDGD	
NC[C@H](NC(=O)NNc1cncc(Cl)n1)C1CCCCC1	841939516	IZDSTIWJCQTURB-JTQLQIEISA-N	312.805	1.664	50	20	DDGD	
Cn1nccc1C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	748831454	UVPRTNJUGKIHHO-UHFFFAOYSA-N	300.362	1.792	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2ccc(CN)cc2F)n1	846203051	JZRAYXVQNHSKOS-UHFFFAOYSA-N	318.356	1.518	50	20	DDGD	
CCOC(=O)C1CCC(=NNC(=O)[C@H](C)OCCOC)CC1	748259846	YDEUSHMFLKPNHG-PXYINDEMSA-N	314.382	1.263	50	20	DDGD	
C[C@H](CCCN)NC(=O)NNC(=O)c1cc2c(s1)CCC2	841999871	QRVJBQHWVMHCJW-SECBINFHSA-N	310.423	1.308	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)[C@@H]1C[C@@H]2C=C[C@H]1CC2	846140979	BUNBZZPGGDDVAN-FRRDWIJNSA-N	310.361	1.708	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CCC[C@@H]2COC[C@@H]21	841576111	UUNPHQBWKIIFDP-OCCSQVGLSA-N	303.362	1.460	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1CC(=O)NNC(=O)c1cccc(N(C)C)c1	741139111	AJWMXWUPRDFOHL-BETUJISGSA-N	318.421	1.386	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(-n2ccnc2O)cc1	845212303	GNOHVPDJQLLELR-UHFFFAOYSA-N	302.334	1.385	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1cccc(OCC(N)=O)c1	848080928	HBJHBEQOIZFTTO-UHFFFAOYSA-N	305.161	1.426	50	20	DDGD	
CCn1nccc1NC(=O)NNc1ccc(CC(=O)OC)cc1	844604055	GYPSDDKMFWDOCJ-UHFFFAOYSA-N	317.349	1.767	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1c(Cl)nc(Cl)n1C	842548875	DGKWNOUUCAZRKB-BQBZGAKWSA-N	305.165	1.602	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@H](CC)CO)cc1	841375749	KRJPWJFQGLTXPB-SNVBAGLBSA-N	311.407	1.421	50	20	DDGD	
COC(=O)COc1ccc(C=NNC(=O)[C@H]2CCO[C@H]2C)cc1	842550706	AALJIDAHPQJTFT-FZMZJTMJSA-N	320.345	1.114	50	20	DDGD	
CCN(C(=O)/C(C#N)=C\c1cnn(C)c1)[C@@H](CO)c1ccccc1	922084215	MUWGRMWFMPYWNQ-STKCSNAVSA-N	324.384	1.909	50	20	DDGD	
COCCOCCC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	920340419	NAFQSUQIHDUXIA-UHFFFAOYSA-N	322.405	1.798	50	20	DDGD	
C[C@H](CCN(C)C)NC(=O)NC[C@@]1(C)C[C@H]1Br	856838894	FJSWDIGCPXMFJZ-CKYFFXLPSA-N	306.248	1.799	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)CC(=O)NNC(=O)Cc1cccnc1	754019023	ZXNDULPPKVQGDX-JTQLQIEISA-N	316.361	1.570	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(C(F)(F)F)c(OC)c1	854409720	LBTHYWRMTRAYTC-UHFFFAOYSA-N	306.284	1.937	50	20	DDGD	
O=C(CN1CCCCCCC1=O)NNc1ncc(Cl)cn1	857355666	IFRYKCOTAUCWGC-UHFFFAOYSA-N	311.773	1.366	50	20	DDGD	
Cn1cc([C@H](CO)NC[C@@H](CBr)C2CC2)cn1	859249507	DLGLVUXZTJWAFM-PWSUYJOCSA-N	302.216	1.464	50	20	DDGD	
Cn1nc(CNC(=O)NNc2cncc(Cl)n2)cc1C1CC1	927646286	FXCWLBAYSGUWPM-UHFFFAOYSA-N	321.772	1.567	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)Cc2cnccc2Cl)n1	857486620	PCMWMTXWLSRJLA-UHFFFAOYSA-N	313.148	1.446	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCc1nc2c(s1)CCC2	924582607	NGNIMQFJYQISTQ-UHFFFAOYSA-N	322.312	1.415	50	20	DDGD	
O=C(NN=CC1CCC2(CC1)OCCO2)c1cccc(F)n1	853444772	RZSZUZBUXUBTQQ-UHFFFAOYSA-N	307.325	1.870	50	20	DDGD	
CC1(C)CN(CC(=O)NNC(=O)C2CC2)[C@@H]1c1cccnc1	854042004	UJOFCTIWSZSNOZ-CQSZACIVSA-N	302.378	1.022	50	20	DDGD	
O=C(NNc1cc(F)cc(Cl)c1)[C@@H]1CC(=O)N(C2CC2)C1	855619532	PMZVKDDNYBVIMP-MRVPVSSYSA-N	311.744	1.933	50	20	DDGD	
CO[C@H]1COCC[C@H]1CNC(=O)NNc1cc(F)ccc1F	922698006	WNWWVIAVOSBNAU-ZANVPECISA-N	315.320	1.642	50	20	DDGD	
NC(=O)c1cc(C(=O)NNC(=O)c2ccc3ccccc3n2)co1	759370850	YGDVRKRTCRVHLW-UHFFFAOYSA-N	324.296	1.002	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNc1nc2ccccc2c(=O)n1C	859370091	BGHXNVYQNJMUSB-CYBMUJFWSA-N	318.377	1.582	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNC(=O)NC2CCCC2)C1(C)C	759641941	OMFNAKAESWQQEH-YPMHNXCESA-N	309.410	1.901	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)/C=C/c1cncc(F)c1)C1CC1	855100974	MMPYNDFLIQMAID-OSOUNJMWSA-N	308.382	1.528	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2C[C@H]3CCCC[C@H]3C2)cc1	750062960	SYUIBRURJMONBB-IYBDPMFKSA-N	315.417	1.878	50	20	DDGD	
COCc1csc(C(=O)NNC(=S)N[C@@H](C)C2CC2)c1	855094439	BRNBSZVRDJLNRZ-QMMMGPOBSA-N	313.448	1.802	50	20	DDGD	
Cc1cnc2cc(C(=O)NNC(=S)NCC3CCC3)ccn12	855092546	JEMLOZMJDBFPFE-UHFFFAOYSA-N	317.418	1.552	50	20	DDGD	
Cc1ccc(C(N)=O)cc1NC(=O)NNC(=O)CC(F)(F)F	756258173	ABQOVUHOEORXKM-UHFFFAOYSA-N	318.255	1.199	50	20	DDGD	
C[C@]1(CNC(=O)N(CCO)CC2CC2)C[C@H]1Br	856952398	BUBLBFAEYUXLNW-ZYHUDNBSSA-N	305.216	1.574	50	20	DDGD	
CCOC(=O)C[C@@H]1CCCCC1=NNC(=O)NCCCOC	754941618	JRGAZNWBZCOXCQ-LBPRGKRZSA-N	313.398	1.822	50	20	DDGD	
COC(=O)C[C@]1(NC[C@@H](CBr)C2CC2)CCOC1	859253767	DUOSDLLICPNKGU-DGCLKSJQSA-N	320.227	1.719	50	20	DDGD	
CCN(CC)C[C@H](C)NC(=O)NNc1ncc(Cl)cn1	856848971	LMKUAXWWINDSMO-VIFPVBQESA-N	300.794	1.486	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1c(C)n(C)c2ccc(OC)cc12	854927361	FMRQPPTWKVZCAA-UHFFFAOYSA-N	320.418	1.576	50	20	DDGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1[C@H]2CC[C@H]1CC(=O)NC2	750058911	ZRHHZFOKRACHPC-IOIROEMGSA-N	312.329	1.812	50	20	DDGD	
CC[S@@](=O)c1ccccc1C(=O)NN[C@@H](C)C(F)(F)F	862304641	DLDUXTKNEUEDJY-FFVOIRBGSA-N	308.325	1.999	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1ccc(O)c(F)c1	768172860	ZUCSYSGZCYVMGT-UHFFFAOYSA-N	318.304	1.509	50	20	DDGD	
CN(C)CCn1cc(C(=O)NNc2ccnc(Cl)c2)cn1	869245675	RYOATDRVPFHZKU-UHFFFAOYSA-N	308.773	1.250	50	20	DDGD	
Cc1ccc([C@@H](C)C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1	863077795	LNJOKNHMQNJBCQ-GXTWGEPZSA-N	308.403	1.635	50	20	DDGD	
CCC(CC)N1C[C@H](C(=O)NN[C@H](C)C(F)(F)F)CC1=O	862309776	OTMHOGMIDDGYCN-RKDXNWHRSA-N	309.332	1.595	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNc1cccc(C(=O)OC)c1C	869257100	YEANSDULUYQUNN-GFCCVEGCSA-N	307.350	1.139	50	20	DDGD	
CC/C=C(\C)C(=O)OCC(=O)NNC(=O)Cc1ccccc1C	767267244	BZGZGGZQHSLEPH-NTUHNPAUSA-N	318.373	1.584	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)c1cnc2nccnc2c1	760274802	JEEMDCMSBZHYQS-UHFFFAOYSA-N	317.312	1.725	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cnc(F)cc1C	868137492	IIRXTRALLIMZHG-UHFFFAOYSA-N	313.329	1.079	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1c(C)nn(CC(F)F)c1C	760855363	YKJKMSYLHGDMOT-UHFFFAOYSA-N	317.340	1.509	50	20	DDGD	
Cc1cccc(Cl)c1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1	860943560	BVXFTJJJQNBPHH-VIFPVBQESA-N	310.741	1.080	50	20	DDGD	
O=C(CN1CCCCCC1=O)NNCC(F)(F)C(F)(F)F	863092081	DUGMMEIQLKTUIO-UHFFFAOYSA-N	317.258	1.207	50	20	DDGD	
Cc1cc(C(=O)NNc2cc(C#N)cc(Cl)n2)c(C)nn1	769057399	VNEDNZFXIRIVGE-UHFFFAOYSA-N	302.725	1.770	50	20	DDGD	
O=C(NNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccncc1	769536890	XKLKYOKDLZLTFV-UHFFFAOYSA-N	320.692	1.718	50	20	DDGD	
C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NNC(=O)c1cn[nH]c1	862475058	XJLYXRTWOLWJML-SNVBAGLBSA-N	314.345	1.127	50	20	DDGD	
CCOc1ccccc1C(=O)NNc1nncc(N)c1Cl	1116297645	CUOHLHKBKOKFOC-UHFFFAOYSA-N	307.741	1.868	50	20	DDGD	
C[C@@H](COc1ccccc1F)NC(=O)NNC(=O)C(C)(C)C	1115889297	QRSZVBLUABGNST-JTQLQIEISA-N	311.357	1.970	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CN2CCOC2=O)cc1C	873761580	FIFAFCJPBIALSW-UHFFFAOYSA-N	322.390	1.073	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)C2CCC=CCC2)C[C@H](C)O1	877999432	WMKXCQSZAXVIMG-KBPBESRZSA-N	323.437	1.380	50	20	DDGD	
CCn1nccc1C=NNC(=O)c1cncn1-c1ccccc1	1116372912	LMANOOGOCGTEFK-UHFFFAOYSA-N	308.345	1.853	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C\Sc1ccccc1	771912609	RFVIXNUZKGTETB-DWOQACPDSA-N	322.386	1.782	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2c(C)cnn2C)c1	873756077	DHIYOLIUKUBRCQ-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc(C)c1S(C)(=O)=O	879889163	JTNXQOQWOPGPGC-UHFFFAOYSA-N	315.395	1.013	50	20	DDGD	
COc1cccc(CCNC(=O)NN=c2cc[nH]c(C)c2)c1	875056604	QQJSWLRHGMFFQX-UHFFFAOYSA-N	300.362	1.689	50	20	DDGD	
COC(=O)CCCC(=O)NNC(=S)Nc1ccc(C)cc1C	873759038	FBAJHAPDQUDKTC-UHFFFAOYSA-N	323.418	1.964	50	20	DDGD	
CCC(CC)[C@@H](CNC(=O)NN(C)C(=O)OC)N1CCCC1	875048155	OYTCYDDXPPUPTI-CYBMUJFWSA-N	314.430	1.799	50	20	DDGD	
Cc1ccc(C)c(-n2ncc(C(=O)NNC(=O)C3CC3)c2C)c1	772047951	SKECXXNFAVIJCT-UHFFFAOYSA-N	312.373	1.969	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1c(Cl)nc2ccccn12	1115852379	YTNGWEHWVHLPTR-UHFFFAOYSA-N	311.798	1.505	50	20	DDGD	
CCCC(O)(CCC)CC(=O)NNC(=S)NCCSC	770245491	OTSQKGUNGHHVEF-UHFFFAOYSA-N	321.512	1.566	50	20	DDGD	
O=C(NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)c1cc2c(s1)CCC2	878002982	QPUOMOOIBMDOIT-COPLHBTASA-N	320.414	1.813	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H](C)CCC(=O)OC(C)C)cc[nH]1	875546520	BSMLIJUDHWGWNA-NSHDSACASA-N	308.382	1.558	50	20	DDGD	
CC1=NO[C@H](CNC(=O)NC[C@]2(C)C[C@@H]2Br)C1	875956790	NXFPAWAWHIHYNB-QXEWZRGKSA-N	304.188	1.624	50	20	DDGD	
Cc1noc(CCCC(=O)NNc2nccnc2C(C)C)n1	772876900	MTTADZMXTYXUAH-UHFFFAOYSA-N	304.354	1.757	50	20	DDGD	
CCN(CC)[C@@H](CNC(=O)NN(C)C(=O)OC)CC(C)C	875048435	SPKGGKKOTVQSAW-GFCCVEGCSA-N	302.419	1.655	50	20	DDGD	
Cc1cccc(NNC(=O)NCc2ccc3c(c2)OCCO3)n1	874998602	SYYBWUSDVUZFAX-UHFFFAOYSA-N	314.345	1.988	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)c1ccccc1-c1ccno1	779460153	KRPWELPFUXUOBR-UHFFFAOYSA-N	309.347	1.307	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN[C@H](c2ccc(F)cc2)C1	874892123	AEYYSFLUTMIQJX-FQNOHDAGSA-N	303.337	1.743	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCCOc2c(C)cc(C)cc21	779824048	YPMAEYYGHANLQY-UHFFFAOYSA-N	319.361	1.652	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C(/C)c1ccc(F)cc1	772048442	NMRADXFSHLRLFY-DWOQACPDSA-N	322.336	1.718	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)COc1ccccc1	771883185	SCKYJLMALSULPD-LBPRGKRZSA-N	322.361	1.191	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C2(F)CCCC2)cc1	776106830	CEQKWNBJGXDIOU-UHFFFAOYSA-N	309.341	1.537	50	20	DDGD	
C=C1CCC(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1	888677758	DYALCITWUUETNG-UHFFFAOYSA-N	321.402	1.372	50	20	DDGD	
O=C(NNC(=O)[C@]1(O)CCc2ccccc2C1)C1CCCC1	785838833	DEYDTSLNBMOFIE-KRWDZBQOSA-N	302.374	1.244	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1cccc(C)n1	887199775	LABIYSVNRMMOGS-UHFFFAOYSA-N	315.329	1.239	50	20	DDGD	
CC(C)(C)[C@H]1CCN(CC(=O)NNC(=O)c2ccccc2)C1	784516272	MKNWPRBWHZJNAR-AWEZNQCLSA-N	303.406	1.816	50	20	DDGD	
Nc1ncc(C=NNC(=O)c2cc(-c3ccccc3)[nH]n2)cn1	781573749	ASZMLUZEUDONCD-UHFFFAOYSA-N	307.317	1.213	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)COc2ccccc2O)c1	781042864	QXDCECFLZSIKQY-UHFFFAOYSA-N	316.313	1.701	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1cc(O)nc2c1CCCC2	894972832	GIDOUTWPOSUDFZ-UHFFFAOYSA-N	319.752	1.866	50	20	DDGD	
CC(=O)OCCCS[C@H](C)C(=O)NNC(=O)CC(C)C	788512467	DVGBXYXHICPEDP-SNVBAGLBSA-N	304.412	1.255	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2CCc3cc(C#N)ccc32)n1	787426178	QFRZVWNYIKJYSM-ZDUSSCGKSA-N	324.344	1.670	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(C#N)o2)c1	794193570	JMMRLPDAUSCXLH-UHFFFAOYSA-N	315.285	1.243	50	20	DDGD	
Cn1cnc(CNC(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)c1	890109286	JBPSKYRSKIZVEM-UFGOTCBOSA-N	312.211	1.990	50	20	DDGD	
CC(=NNC(=O)NCC(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1	799109983	MFOIGYPITBRHMH-UHFFFAOYSA-N	319.243	1.763	50	20	DDGD	
C[C@@H](Cc1ccncc1)NC(=O)NNc1nc2ccccn2n1	790419966	AVIDIAUFYKRASZ-NSHDSACASA-N	311.349	1.382	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)c1ccc2ccccc2n1	794891323	FINLEDYDPFTNPW-MRXNPFEDSA-N	301.346	1.811	50	20	DDGD	
Cc1nn[nH]c1C(=O)NNC(=S)Nc1ccccc1C(C)C	792491392	WEDHMMXFWBXTAT-UHFFFAOYSA-N	318.406	1.868	50	20	DDGD	
O=C(NCC1CC1)NNC(=S)NCCCCC(F)(F)F	794975123	ODPCIHCNDUGVSQ-UHFFFAOYSA-N	312.361	1.807	50	20	DDGD	
CN(C)c1cnc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])cn1	791149731	KGLGCZDZUPONTI-UHFFFAOYSA-N	320.284	1.347	50	20	DDGD	
CC(C)[C@@H]1CCCC(=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1	794499573	ZHFXZESOXRWFCB-DGCLKSJQSA-N	315.439	1.675	50	20	DDGD	
C=C(CBr)CN(CC(=O)OC)C1CCOCC1	791465634	DYCJFQOPJHYZQF-UHFFFAOYSA-N	306.200	1.592	50	20	DDGD	
O=S(=O)(NCC1(CO)CCC1)c1ccc(CCl)cc1	717670183	COPJCFRCEBULHT-UHFFFAOYSA-N	303.811	1.866	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCCC(=O)NC(C)C)cc1	1318549101	DOWORAKOYWUUGN-UHFFFAOYSA-N	321.377	1.151	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2cc(F)cc(OC)c2)n1	1319371320	OBFICNKTOXVGOG-UHFFFAOYSA-N	318.308	1.346	50	20	DDGD	
Cn1ccc(NNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)n1	1326696763	CIYHUQZJZCYJFQ-AWEZNQCLSA-N	316.361	1.735	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc(-c2cc[nH]n2)s1	1326365242	WKNZHJKTQPKJKV-UHFFFAOYSA-N	309.420	1.656	50	20	DDGD	
CS(=O)(=O)c1ccc(C=NNC(=O)NC2CCCCC2)o1	1325667802	SXEGIWMPTVJJHW-UHFFFAOYSA-N	313.379	1.649	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1cnc(C2CC2)[nH]1	1322507118	WQWCQPOKBKSOQX-UHFFFAOYSA-N	318.764	1.944	50	20	DDGD	
CC(C)(C)c1cnc(NC(=O)C(=O)NNc2cccnn2)s1	1321416823	UOOPYXCCPRNMLQ-UHFFFAOYSA-N	320.378	1.312	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H](N)Cc2ccccc2)C[C@H]1Br	1328505786	MNQGUDNQDCGNKW-OUCADQQQSA-N	311.223	1.846	50	20	DDGD	
COc1ccc(NNC(=O)c2cnc(C3CC3)[nH]2)c([N+](=O)[O-])c1	1325909381	CWYBBHNUWWKMGD-UHFFFAOYSA-N	317.305	1.961	50	20	DDGD	
C/C=C\C(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1	1331912761	ZWJUDGRVHIHFIJ-WAYWQWQTSA-N	311.382	1.357	50	20	DDGD	
CC(C)[C@H](NC=O)C(=O)NNc1cncc(Br)c1	1261813613	ZIBMGFDXBJTPQS-JTQLQIEISA-N	315.171	1.058	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)[C@@H]1COc2ccc(F)cc2C1	1261335004	HIUDYFYGFMVJTN-SMDDNHRTSA-N	322.336	1.093	50	20	DDGD	
CSCCNC(=S)NNC(=O)/C=C\c1nccs1	1263758973	OINCFLYPAHFUBW-IHWYPQMZSA-N	302.450	1.015	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)Cn2ncnn2)C1	1347830375	BCNNFEACBRJKIN-NSHDSACASA-N	311.462	1.296	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@@]1(C)CCCS1	1261452994	RNQJAXGGDZACLS-OUJBWJOFSA-N	301.412	1.028	50	20	DDGD	
Cc1ccc(CNC(=O)NNc2cccc(C(=O)O)c2)cn1	1600416597	KXUPQZUMCJKJQM-UHFFFAOYSA-N	300.318	1.915	50	20	DDGD	
O=C(O)COCC(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	1606279294	IKJIFNFYGJETJT-UHFFFAOYSA-N	305.242	1.755	50	20	DDGD	
C=CCCCCNC(=O)NNc1cccc(-c2nn[nH]n2)c1	1602837899	IZXZGFPIUPSPKA-UHFFFAOYSA-N	301.354	1.849	50	20	DDGD	
CCC(N)(CC)CNC(=O)NNc1ccc(C(=O)O)cc1F	1609927143	VVVVLEJDKRVXRS-UHFFFAOYSA-N	312.345	1.668	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccnc3[nH]cnc23)cc1F	1602382908	JABDGIOMJFGRAK-UHFFFAOYSA-N	315.264	1.552	50	20	DDGD	
Cc1cccnc1C(=O)NN[C@@H](C(=O)O)c1ccc(F)cc1	1600589757	IOJWMSWOPFNHFV-CYBMUJFWSA-N	303.293	1.589	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cnn3cccnc23)c1F	1608936224	GSBDBYQBJBSXLO-UHFFFAOYSA-N	315.264	1.324	50	20	DDGD	
O=C(COc1ccc(O)cc1)NNc1ccccc1C(=O)O	1601343845	XOZJECFDQCJKRR-UHFFFAOYSA-N	302.286	1.613	50	20	DDGD	
O=C(O)[C@@H](CF)NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	1601649625	LEOZKJTWEXIEIG-MCHASIABSA-N	308.147	1.479	50	20	DDGD	
O=C(Cc1ccccc1C(=O)O)NNc1ncc(Cl)cn1	1608368015	QWQBICGWKPGXKG-UHFFFAOYSA-N	306.709	1.514	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2ncc3n2CCCC3)cc1	1608781489	GPUZFBLAGHHOKE-UHFFFAOYSA-N	314.345	1.603	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C2(CN)CCCC2)ccc1C	1573937891	GNDZHLHETAQGJI-UHFFFAOYSA-N	305.378	1.744	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H]2C[C@@H]2F)C1	1845902612	HHKAAXIUVQDUEF-TUAOUCFPSA-N	316.804	1.955	50	20	DDGD	
C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843362146	FUZHLOQYEXWRLO-GHMZBOCLSA-N	318.776	1.315	50	20	DDGD	
NCCCCCC(=O)NNC(=O)Nc1cnc2ccccn12	1580292881	XWQUAKYFTXUWEJ-UHFFFAOYSA-N	304.354	1.006	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc[nH]n1	1847896724	MSGSMHUINMSHAJ-DLOVCJGASA-N	310.785	1.243	50	20	DDGD	
O=C(O)C1(C(=O)NNc2nc3ccccc3[nH]2)CCSCC1	1594867679	QKCWJIMUDGWAAK-UHFFFAOYSA-N	320.374	1.604	50	20	DDGD	
CSC1(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)CCC1	1591689391	CTLFHGXGDJIPQH-UHFFFAOYSA-N	316.390	1.868	50	20	DDGD	
C[C@H]1CCCN(C(=O)C(=O)NNc2ccc(C(=O)O)cc2F)C1	1594377612	AKMNAMWKVAWSSW-VIFPVBQESA-N	323.324	1.226	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1C[C@H](C(=O)O)[C@H](c2ccccc2)C1	1596859513	DDHDFHBYVTWVJV-CYAURGIBSA-N	314.341	1.757	50	20	DDGD	
O=C(NC[C@@H]1C[C@H]1C(F)(F)F)NNc1ncccc1C(=O)O	1594766368	WOSFGNUCWDPBFR-POYBYMJQSA-N	318.255	1.604	50	20	DDGD	
O=C(NCc1ccccc1)NN=Cc1ccc(-c2nn[nH]n2)o1	1593143741	DWAQAYZAQVBZFT-UHFFFAOYSA-N	311.305	1.293	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=Cc1c[nH]c2ccc(C(=O)O)cc12	1776102473	QVUIBMRTSFOZGC-GXTWGEPZSA-N	315.329	1.741	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1cccc(C(=O)O)c1F	1776129787	WHXKEWSNAZNWTC-DHZHZOJOSA-N	306.293	1.584	50	20	DDGD	
CC(C)(C)O[C@@H]1CS(=O)(=O)C[C@@H]1I	158049728	BVBMEOFHWSHQIQ-NKWVEPMBSA-N	318.176	1.402	50	20	DDGD	
CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CO[Si](C)(C)C	1798626666	QDHCKOCNOYMYSA-CLLJXQQHSA-N	312.486	1.886	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1ccc(F)cc1	5558071	HYUIJJJJTZPXPC-UHFFFAOYSA-N	306.268	1.805	50	20	DDGD	
COCC(=O)NNC(=O)c1sc(-c2ccccc2)nc1C	15469616	OAYMOAXXRDJNAA-UHFFFAOYSA-N	305.359	1.526	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)N[C@H]1C=CCCC1	158719326	ACNKPQXYQGHPQO-LBPRGKRZSA-N	313.361	1.316	50	20	DDGD	
CC(=O)N[C@H](C)C(=O)NNc1ccccc1Br	153453867	MBBJHQALLIOHMQ-SSDOTTSWSA-N	300.156	1.417	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2noc3c2CCCCC3)[nH]n1	157011572	XMWDBTYSWFEJCB-UHFFFAOYSA-N	303.322	1.050	50	20	DDGD	
Cc1ccccc1[C@@H]1C[C@H]1C(=O)NNc1ccc(C(N)=O)nn1	154331087	XQYJFDRSVOBDFH-NWDGAFQWSA-N	311.345	1.131	50	20	DDGD	
COCC[C@@H](C)NC(=O)NNC(=O)Cc1ccc(Cl)cc1	101610893	VJRQYWMNWBAEFD-SNVBAGLBSA-N	313.785	1.638	50	20	DDGD	
CN(CCc1ccc(Cl)cc1)CC(=O)NNC(=O)C1CC1	113265712	XTCZZCQUXLZMJV-UHFFFAOYSA-N	309.797	1.372	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc(OC)c(C)c1C	117228421	RRJXCLVFSIURHL-SECBINFHSA-N	314.407	1.668	50	20	DDGD	
C=C1c2ccccc2C(=O)N1CC(=O)NNC(=O)CC(C)(C)C	103198811	PFVILQVPQLFDAE-UHFFFAOYSA-N	315.373	1.697	50	20	DDGD	
Cc1ccccc1CCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	103361240	OLZYXEMBSHEGNC-OAHLLOKOSA-N	324.446	1.420	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)CC2CCOCC2)c1	117231456	MYUZJQIDMIYSAG-UHFFFAOYSA-N	320.389	1.646	50	20	DDGD	
COc1cccc(C(=O)NNc2nccnc2Cl)c1OC	114897486	KPMQWTFQXYNTPY-UHFFFAOYSA-N	308.725	1.904	50	20	DDGD	
COc1ccnc(NNC(=O)NCCc2ccc(F)cc2F)n1	112216596	KOPGNIYKYJIZQG-UHFFFAOYSA-N	323.303	1.632	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Cc1ccc(CC(C)C)cc1	109858716	RDLWYOTWHRGTMZ-UHFFFAOYSA-N	314.389	1.920	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)c2cccc(C#N)c2)cn1	111491365	AYRQYIZTMROXLK-UHFFFAOYSA-N	323.356	1.448	50	20	DDGD	
O=C(CSCC(=O)c1ccccc1)NNc1cnccn1	114879047	TUNGRMDSYFASTC-UHFFFAOYSA-N	302.359	1.536	50	20	DDGD	
COc1ccc(-c2n[nH]cc2C(=O)NNC(=O)C(C)(C)C)cc1	173530580	OSHIWIRRLVPHOY-UHFFFAOYSA-N	316.361	1.892	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cnc2ccc(F)cc2c1	179127654	ACYDPAKGADHIKX-UHFFFAOYSA-N	320.324	1.354	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccnc2)c2c(C)nn(C)c2n1	24360268	UHEIJNOLXHZERD-UHFFFAOYSA-N	324.344	1.055	50	20	DDGD	
Cc1cccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)c1[N+](=O)[O-]	175552594	GNMPCHCFRIONBZ-VIFPVBQESA-N	322.390	1.811	50	20	DDGD	
CC(=O)CCc1ccc(OCC(=O)NNC(=O)C2CC2)cc1	62931206	IKTXLFSWKFYUED-UHFFFAOYSA-N	304.346	1.144	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NC[C@@H]1CCCS1	125317735	CLMMSRQHBNVKID-LBPRGKRZSA-N	311.382	1.594	50	20	DDGD	
C[C@H](NC(N)=O)C(=O)NNc1c(Cl)cc(F)cc1Cl	124240717	LCZGXVXSQBEEIP-BYPYZUCNSA-N	309.128	1.632	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1n[nH]c2ccccc12	127891346	CTZFYTFIKNNWIA-UHFFFAOYSA-N	324.340	1.541	50	20	DDGD	
COc1cccc(NNC(=O)c2[nH]c(C)c(C(C)=O)c2C)n1	180680990	YVVNCUPQSNWJEK-UHFFFAOYSA-N	302.334	1.995	50	20	DDGD	
COC(=O)[C@@H](O)C1CCN(/C(=C/C#N)c2ccc(F)cc2)CC1	305236272	NTOVSCYDOGMXPR-KBHCHJSJSA-N	318.348	1.936	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNc1ccc(OC(F)F)cc1	122966953	NGELROLBXZQTSL-QMMMGPOBSA-N	302.277	1.930	50	20	DDGD	
O=C(CN1CC[C@@H](Cc2ccccc2)C1)NNC(=O)C1CC1	124082192	QJNCXHULONIPBH-AWEZNQCLSA-N	301.390	1.108	50	20	DDGD	
Cc1cc(NNC(=O)COCCOc2ccccc2)nc(C)n1	128719043	JIWCEIOMKLIWRR-UHFFFAOYSA-N	316.361	1.632	50	20	DDGD	
CCCCCNC(=O)/C(C#N)=C/c1cn[nH]c1C(=O)OCC	128927737	ZIAQGQKIYTUFET-DHZHZOJOSA-N	304.350	1.800	50	20	DDGD	
Cc1cn(-c2c(F)cccc2F)nc1C(=O)NN(C)C(N)=O	188920255	PGOPYGOEXXOSTK-UHFFFAOYSA-N	309.276	1.114	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)C1(O)CCCC1	124003887	AMFAUJIVAWNAFF-UHFFFAOYSA-N	312.753	1.415	50	20	DDGD	
COC[C@H](NC(=O)NNc1ccc(C(C)(C)C)nn1)C1CC1	126719069	UBRILQGZYKIXLQ-NSHDSACASA-N	307.398	1.825	50	20	DDGD	
C[C@@H](CNC(=O)NNc1cccnn1)Oc1ccccc1F	75317034	DSBPOFPPFFEOGC-JTQLQIEISA-N	305.313	1.709	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C(=O)N1CCCC1	125407572	RZISVXJDTRRJLU-MELADBBJSA-N	321.421	1.363	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1ccccc1)c1cc2ccccc2o1	120776128	YTDJBMZZLFUAKY-HNNXBMFYSA-N	310.309	1.927	50	20	DDGD	
O=C(NCC1(c2ccc(F)cc2)CC1)NNC(=O)[C@@H]1CCCO1	79513583	PJDMVVVPXJXKNE-ZDUSSCGKSA-N	321.352	1.367	50	20	DDGD	
Cc1cccc(C(=O)NNc2cccc(S(C)(=O)=O)c2)c1O	181159926	HLBCBNXDIHNTOK-UHFFFAOYSA-N	320.370	1.861	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)c2ccc(Cl)nc2)cn1	131610890	QGJSYIPCLVUHBP-UHFFFAOYSA-N	319.752	1.271	50	20	DDGD	
CCOC(=O)NNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1	44979597	FSUMJRJUQJYDOZ-UHFFFAOYSA-N	319.277	1.171	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)c3cc[nH]n3)cc2C1	44980454	MCFHTPDMCLXKBS-QMMMGPOBSA-N	304.375	1.671	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCCC(=O)N(C)C)cc1	193837611	NLNMCGZKCVNQHH-UHFFFAOYSA-N	320.393	1.061	50	20	DDGD	
CN(C)[C@H](CNS(=O)(=O)CCCCl)c1ccccc1	40809586	KMDHLGRIMPBNLZ-CYBMUJFWSA-N	304.843	1.838	50	20	DDGD	
COCCOCCC(=O)NNc1ncc(Cl)cc1Cl	132468396	JPJMNNUVRIOJBI-UHFFFAOYSA-N	308.165	1.885	50	20	DDGD	
Cc1cc(C)n(-c2ccc(NC(=O)NNc3cnccn3)cn2)n1	194766554	LNEWOUXRPNNQFO-UHFFFAOYSA-N	324.348	1.823	50	20	DDGD	
CCC[C@@H](C(=O)NNC(=O)CNC(=O)c1ccco1)C(C)C	134570428	WMHQDFGHFQYEHL-LLVKDONJSA-N	309.366	1.229	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1ccc2ncccc2c1	194565834	SEENCGFNUJKCIA-UHFFFAOYSA-N	302.334	1.102	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccccc1C(=O)c1cccs1	194929316	GDGZPAROZOSSNY-UHFFFAOYSA-N	317.370	1.895	50	20	DDGD	
Cn1cncc1CCC(=O)NNC(=O)c1cc2ccccc2o1	193451603	XZSYDGIKRXSPNU-UHFFFAOYSA-N	312.329	1.560	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCC(=O)OC(C)(C)C)s1	192413235	KBZVKJXDTCTIBX-UHFFFAOYSA-N	312.391	1.939	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cccc(N(C)C)c2)n(C)n1	132414072	BGKIZVBGKRFPBF-UHFFFAOYSA-N	316.365	1.261	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccc(C)cc2O)c1	80387620	RACCONHSEFOGQM-UHFFFAOYSA-N	300.314	1.784	50	20	DDGD	
Cc1nc(C(F)(F)F)ccc1C(=O)NNC(=O)c1ccc[nH]1	97166296	KYYQLGLGIGEZHE-UHFFFAOYSA-N	312.251	1.812	50	20	DDGD	
C[C@H](Nc1ccc(C(=O)NN)cc1[N+](=O)[O-])c1ccccn1	237534045	LAHLLBQZVPXKCQ-VIFPVBQESA-N	301.306	1.766	50	20	DDGD	
O=C(/C=C\c1cccc(F)c1)NNC(=O)NCc1ccco1	255398083	NFLURFQILUFWBB-SREVYHEPSA-N	303.293	1.963	50	20	DDGD	
Cc1c(NNC(=O)CNC(=O)CC(C)(C)C)cccc1[N+](=O)[O-]	269639398	ZJRVQZFMGVVWPL-UHFFFAOYSA-N	322.365	1.899	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=S)Nc1ccccc1OC	269865417	WBHHGVJOKQAPHO-JTQLQIEISA-N	311.407	1.828	50	20	DDGD	
O=C(NNc1ncccn1)c1ccc(O[C@@H]2CCOC2)cc1	279105317	XZANDTKRCQUEMI-CYBMUJFWSA-N	300.318	1.401	50	20	DDGD	
CC(C)=CCCNC(=O)NNC(=O)c1ccc2c(c1)OCCO2	276911168	WJYPSWDOTSIVAY-UHFFFAOYSA-N	319.361	1.758	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@]2(C)CCN(C(C)=O)C2)c1	366073586	PIWPDGGOUKEMFM-HNNXBMFYSA-N	309.341	1.536	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	273371026	CCMUIHQOPSPPKJ-SECBINFHSA-N	313.379	1.289	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21	272634535	CDOLQVFLNLFLQJ-UHFFFAOYSA-N	319.321	1.242	50	20	DDGD	
O=C(CCOCC(F)(F)C(F)(F)F)NNc1cnccn1	276860114	ASEAWGOAEKWUEW-UHFFFAOYSA-N	314.214	1.524	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H]1COc2ccccc21	271279519	NUBRRGBPFSVLQH-SNVBAGLBSA-N	311.432	1.021	50	20	DDGD	
CC(=O)N[C@H](CC1CCC1)C(=O)NNC(=O)c1ccccc1F	278252591	MRPCFAUOICLGAL-CQSZACIVSA-N	321.352	1.282	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1c(-c2ccccn2)noc1C	373942130	CLDPYJPBGODLIP-UHFFFAOYSA-N	317.374	1.340	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C1(OC)CCOCC1	284539925	DMCZVQVCPHTNMM-UHFFFAOYSA-N	311.290	1.704	50	20	DDGD	
Cn1cccc(NC(=O)NNc2nccnc2C2CCC2)c1=O	287253477	UFPCFFCOCRSUIV-UHFFFAOYSA-N	314.349	1.591	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCn3c(cnc3C)C2)s1	289496184	ALCNVWSXRUZTOD-NSHDSACASA-N	318.402	1.585	50	20	DDGD	
Cc1nc2n(n1)CCN(C(=O)/C(C#N)=C\c1ccc(O)cc1)C2	373323934	NEKGWXRAQVICKM-JYRVWZFOSA-N	309.329	1.242	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)n1	284665208	YUDCMJZHJZEQQQ-UHFFFAOYSA-N	319.390	1.220	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)N[C@H]2CCC2(C)C)c1	287321331	LNMMZEWGMNWTJP-ZDUSSCGKSA-N	304.394	1.885	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1cccc(F)n1)N1C[C@@H](C)O[C@H](C)C1	286566774	LELSJEPORVOZGV-JMSVASOKSA-N	324.400	1.798	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@H](F)C(F)(F)F	290008640	QBFGVFOMGXJADA-JTQLQIEISA-N	308.231	1.286	50	20	DDGD	
COCCOc1cccc(C(=O)NNC(=O)[C@H]2CCCCO2)c1	295642574	UDZQEZDILGPBQQ-CQSZACIVSA-N	322.361	1.042	50	20	DDGD	
CCCCN(C)C[C@@H](C)NC(=O)NNC(=O)c1ccccc1	291057252	FJPYMRDHUSXXHO-CYBMUJFWSA-N	306.410	1.751	50	20	DDGD	
O=C(CCc1cccc([N+](=O)[O-])c1)NNC(=O)[C@H]1CCCCO1	295302040	FEIOXJOZMQYXPC-CYBMUJFWSA-N	321.333	1.244	50	20	DDGD	
Cn1cnc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)n1	809982275	OTGDQNDDEAZWHV-UHFFFAOYSA-N	314.132	1.197	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C(C)(C)C2CC2)cc1OC	806292432	NBVZJSGLYGSLSZ-UHFFFAOYSA-N	306.362	1.901	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@H](C)CN1CCCC1	298941460	JRFSXHQPKJRXRJ-ZDUSSCGKSA-N	318.421	1.671	50	20	DDGD	
C[C@@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)NNc2ncncc2F)C1	293181615	YMDQQOGVDCKUHG-IJLUTSLNSA-N	324.404	1.608	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)CSC(F)F	294473508	VCNCQBMXLONFFC-UHFFFAOYSA-N	308.281	1.308	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)N=c1cc[nH]cc1)c1ccccc1	802024925	NDIBQWQYWBRWKX-CYBMUJFWSA-N	300.318	1.044	50	20	DDGD	
C[C@@](C#N)(CC(=O)O)C(=O)NNc1cccc(C(F)(F)F)n1	819846354	ATFZVTNUEBLGGN-NSHDSACASA-N	316.239	1.548	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNc1nc2ccccc2n1C	816579357	NRUBPVZLLGXSGO-UHFFFAOYSA-N	317.393	1.665	50	20	DDGD	
O=C(NNC(=O)c1ccnc(-c2ncc[nH]2)c1)NC1CCCC1	814647800	KAUDAOFNWIGLBC-UHFFFAOYSA-N	314.349	1.358	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2oc(C(C)C)nc2C#N)n1	815149091	ZCMFZGAGJVDNJV-UHFFFAOYSA-N	303.326	1.346	50	20	DDGD	
CC[C@@H](Cc1ccccc1C)C(=O)NNC(=O)Cc1cc[nH]n1	819253978	TWDHRXRVPJDFII-ZDUSSCGKSA-N	314.389	1.677	50	20	DDGD	
Cc1cc(C)c(S(=O)(=O)NNC(=O)NCC2CC2)s1	814210954	MGRGQKSRMJPGOA-UHFFFAOYSA-N	303.409	1.267	50	20	DDGD	
O=C(NN=Cc1ncc(Br)s1)c1cnccn1	814793003	BMRFJAFHMKHEEQ-UHFFFAOYSA-N	312.152	1.460	50	20	DDGD	
Cc1cnccc1SCC(=O)NNC(=O)c1ccccc1	814807974	SPGIEWJSOJMGCQ-UHFFFAOYSA-N	301.371	1.943	50	20	DDGD	
C[C@](C#N)(CC(=O)O)C(=O)NNC(=O)c1ccc(Cl)cc1	819846554	DGGIGILVFJFWDO-CYBMUJFWSA-N	309.709	1.106	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)CCn1ncn(C)c1=O	815913142	JCXIXSWDFAVHCZ-UHFFFAOYSA-N	320.305	1.103	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1nc2c(s1)CCCC2	814864333	AHFCODLPQKCMCT-SNVBAGLBSA-N	311.407	1.524	50	20	DDGD	
O=S(=O)(CBr)N1CC2(CCOCC2)[C@@H]1C1CC1	815087058	QWZRGLRUXYIXDK-JTQLQIEISA-N	324.240	1.560	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2	728798277	ILKQYJNHIRNEAN-WCFLWFBJSA-N	304.419	1.308	50	20	DDGD	
O=C(NNC(=O)c1ccc(N2CCCC2)nn1)c1ccccc1	726880138	NDCSHHDOBAJLSE-UHFFFAOYSA-N	311.345	1.152	50	20	DDGD	
CCCC(=NNC(=O)[C@H](C)NS(C)(=O)=O)C1CCCCC1	728435395	ZVEZERATFOWADE-NSHDSACASA-N	317.455	1.777	50	20	DDGD	
CSCCNC(=O)NNC(=O)COc1ccc(C)c(C)c1	726278565	JMNULNYCHXDPHO-UHFFFAOYSA-N	311.407	1.376	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(OC)ccc1Br	823833477	COKUKHXRNIYZQQ-UHFFFAOYSA-N	317.183	1.417	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2CC23CCSCC3)n1	822208813	JLGDGVIWFZGMBE-GFCCVEGCSA-N	322.434	1.181	50	20	DDGD	
O=C1CSC[C@@H](C(=O)NNc2cc(Cl)ccc2F)N1	828369867	IAQOYGSDOZGAPX-VIFPVBQESA-N	303.746	1.154	50	20	DDGD	
CCOC(=O)NNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1	494540181	RNUWNGOORXNLIU-UHFFFAOYSA-N	303.221	1.464	50	20	DDGD	
COc1ccc([C@@H](NCC(=O)NNC(=O)C(C)C)C(C)C)cc1	828629018	HGOWPFPSCZDCOS-INIZCTEOSA-N	321.421	1.785	50	20	DDGD	
CN(C(=O)/C(C#N)=C\c1ccc(O)cc1)[C@@H]1CC(C)(C)OC1=O	490942358	NVSPYDCIKXSVLA-ICDLMJIXSA-N	314.341	1.852	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1cc2ccccc2o1	825738292	YZUCDCLMNNUUES-GWCFXTLKSA-N	317.345	1.688	50	20	DDGD	
C=Cn1cc(C=NNC(=O)CCCNC(=O)OC(C)(C)C)cn1	497247215	SEEAEYLFTNAENV-UHFFFAOYSA-N	321.381	1.739	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@H](C)c2ncn(C)n2)cc(C#N)n1C	490905729	AJGJQXGQFWMKLL-YNHMVAKQSA-N	323.360	1.118	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1ccc(-c2nn[nH]n2)s1	826449384	PIASFBYUFIGOIS-UHFFFAOYSA-N	305.298	1.219	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NNC(=O)CCc1ccccc1	825090194	PRZUTQUADNAVSZ-ZIAGYGMSSA-N	312.373	1.304	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc(C)s1	726076172	NXPCUYWSECUAMI-UHFFFAOYSA-N	301.437	1.544	50	20	DDGD	
Cc1ccc(Nc2cccc(C(=O)NN(C)[C@@H](C)CO)c2)nn1	823953105	YFJVDHYPQACMAV-LBPRGKRZSA-N	315.377	1.486	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(-n2ccnc2S)cc1	823970184	CZDJIINTUNMPEB-SNVBAGLBSA-N	306.391	1.118	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(-c2cccc(OC)c2)[nH]n1	493473565	OLOPCAOWLFAEPX-UHFFFAOYSA-N	304.306	1.476	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cc(Cl)c[nH]1	826447017	JZHZUHBLZFTYII-UHFFFAOYSA-N	303.713	1.605	50	20	DDGD	
COc1cccc([C@H](C)NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	825686308	GTAYHNCHOYDOJE-MISXGVKJSA-N	321.377	1.512	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=O)COc2ccc(C)c(C)c2)CC1	822196134	XIXWEUJFRWYKGU-UHFFFAOYSA-N	318.373	1.589	50	20	DDGD	
Cc1noc([C@H](C)NC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)n1	490638172	LSRBUHQOUZJAER-OUPPCGJOSA-N	324.344	1.681	50	20	DDGD	
COC(=O)NNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)n1	496454986	FFIYVFQVDBHOIJ-UHFFFAOYSA-N	308.725	1.835	50	20	DDGD	
COc1cc(C)nc(NNC(=O)/C=C\c2ccc(O)cc2)n1	492627493	ABSDTUZIYFZMBB-YVMONPNESA-N	300.318	1.656	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cccc(-c3nn[nH]n3)c2)cc1	826385908	GXXNRROPERVGDZ-UHFFFAOYSA-N	305.301	1.495	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCOC[C@@H]1CC(=O)O	909613777	JKMJUWCBLUIEOU-WCBMZHEXSA-N	322.199	1.498	50	20	DDGD	
COCCCOc1cccc(C(=O)NN(C)C[C@H](C)O)c1C	822557983	PGYCTMRONNPGTR-LBPRGKRZSA-N	310.394	1.368	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NC[C@@H]1CCCS1(=O)=O	491052248	VKWYSYURNNUPDM-UNJUUPHPSA-N	322.361	1.426	50	20	DDGD	
CCO/C=C/C(=O)NNc1nc2ccccc2c(=O)n1CC	493394045	COGXQTFJDTUZSR-MDZDMXLPSA-N	302.334	1.410	50	20	DDGD	
Cc1nn(C)cc1CC(=O)NNc1nc(C(F)(F)F)cs1	826799460	IHUIFAUXJHQTER-UHFFFAOYSA-N	319.312	1.890	50	20	DDGD	
Cc1nn(C)c(N2CCOCC2)c1C=NNC(=O)OC(C)(C)C	494153183	AIRCSGWRKPPYLO-UHFFFAOYSA-N	323.397	1.424	50	20	DDGD	
C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NNC(=O)c1ccc[nH]1	823327818	IWAKTSVDIUPQLT-LLVKDONJSA-N	324.340	1.291	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2C[C@@H]2C(=O)O)cc1C	738627603	IJCXEVGKMHUBHK-QWRGUYRKSA-N	307.375	1.342	50	20	DDGD	
O=C(NN=C(C[C@@H]1CCOC1)c1ccc(F)cc1)c1ncon1	901287317	SLWZXBIHTLQFCS-JTQLQIEISA-N	318.308	1.769	50	20	DDGD	
CN(Cc1nnc2n1CCC2)C(=O)/C(C#N)=C\c1ccc(O)cc1	491047835	JPZFNWGTOWBQBZ-LCYFTJDESA-N	323.356	1.495	50	20	DDGD	
CCCCC=NNC(=O)COc1ccccc1-c1nn[nH]n1	825268355	TYHXPTWPTJYUBF-UHFFFAOYSA-N	302.338	1.538	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1cc(F)cc([N+](=O)[O-])c1	734263193	YQPXAXWXOJCQNT-UHFFFAOYSA-N	311.660	1.934	50	20	DDGD	
O=C(/C=C/C1CCCC1)NNC(=O)[C@H]1COc2ccccc2O1	493208799	QRDIKVLWXMQSHM-BOLDSZDNSA-N	316.357	1.720	50	20	DDGD	
Cn1cncc1C=NNC(=O)CCCNC(=O)OC(C)(C)C	494299962	PQTCCKKUOSVAIT-UHFFFAOYSA-N	309.370	1.175	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCC(c2ccsc2)CC1	584973258	CGIWQNDMDKMWOK-UHFFFAOYSA-N	315.203	1.448	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCCC1=NN(C)C(N)=O	495326217	HYWJCUAFIKZYGE-UWVGGRQHSA-N	314.386	1.303	50	20	DDGD	
CC(C)N1CCN(CCC(=O)NNc2ccc(F)cc2)CC1	900091391	ZJVGSZVDTXNUSV-UHFFFAOYSA-N	308.401	1.685	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNc2nccnc2C(C)C)CC1=O	839742453	XQMJOBJBLNQYED-NSHDSACASA-N	305.382	1.302	50	20	DDGD	
CC(=O)Nc1c(C)cccc1C(=O)NNC(=O)c1c[nH]nc1C	732082371	CVTHYNCXRWJCIY-UHFFFAOYSA-N	315.333	1.060	50	20	DDGD	
CSCC[C@H](C)NC(=O)NNc1cccc(-c2nn[nH]n2)c1	737180161	CJPGUKQHTLRGTQ-VIFPVBQESA-N	321.410	1.634	50	20	DDGD	
C[C@]1(C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)C[C@H]1Br	906959445	BEHPYLYRLMKSRE-XZUYRWCXSA-N	318.211	1.566	50	20	DDGD	
COc1ccc(Br)c(NNC(=O)[C@@H](C)OC)c1	839906751	BVOAEWONDUKUEY-SSDOTTSWSA-N	303.156	1.936	50	20	DDGD	
O=C(NC[C@@H](c1ccccc1)C1CC1)c1ccc(B(O)O)cc1	584992501	LMLPTQHGLMANEA-KRWDZBQOSA-N	309.174	1.290	50	20	DDGD	
C[C@]1(C(=O)NN=Cc2ccc(OCC(=O)O)cc2)CCCO1	834992472	QDHZFSZTCGVSCD-OAHLLOKOSA-N	306.318	1.169	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)cc1C	908325635	WKARPJLTBHWHLJ-AEGPPILISA-N	316.357	1.840	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NC[C@@H]1CC1(C)C	732893379	NDIJVFNRYNLVNG-MNOVXSKESA-N	323.368	1.970	50	20	DDGD	
C[C@H](CN(C)c1ccccc1)NCc1ccc(B(O)O)cc1F	585033034	VSFMLYKLJSHIRN-CYBMUJFWSA-N	316.185	1.120	50	20	DDGD	
COCC(=O)NN[C@@H](C(=O)OC)c1ccc(C(F)(F)F)cc1	905768986	YTZUKHCAFVOEKD-LLVKDONJSA-N	320.267	1.187	50	20	DDGD	
C[C@@H]1CCC[C@@H](OCC(=O)NNC(=O)Cc2cccnc2)C1	732936225	GCKGAZAGUBMRFY-TZMCWYRMSA-N	305.378	1.367	50	20	DDGD	
CN1CCCC[C@@H]1C(=O)NNC(=O)Cc1ccc(Cl)cc1	731865561	PDTHGXBRLNUGDI-CYBMUJFWSA-N	309.797	1.514	50	20	DDGD	
O=C(NC[C@@H]1CCCC[C@@H]1C1CC1)c1cc(B(O)O)ccc1F	584997919	LPFYROOGYQRDSM-GXTWGEPZSA-N	319.185	1.452	50	20	DDGD	
CCn1ccnc1[C@@H](C)NC(=O)NNc1cncc(Cl)n1	838690502	ZILQIXUAIJPZLT-MRVPVSSYSA-N	309.761	1.734	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@@H]1C[C@]12CCc1ccccc12	584910931	FFUNSRYKFYFDLF-WMZOPIPTSA-N	307.158	1.209	50	20	DDGD	
CCn1cc(C=NNC(=O)c2ccc(OC)c(OC)c2)nn1	901127500	ZFUVXIPUQBHCPJ-UHFFFAOYSA-N	303.322	1.079	50	20	DDGD	
CC(C)CC(=O)NCCC(=O)NNc1ccccc1C(=O)O	833474037	SSBGLBMXBNAAEA-UHFFFAOYSA-N	307.350	1.380	50	20	DDGD	
COc1cccc(NNC(=O)NCCCCN(C)C2CC2)n1	836687280	QPNSGLVPESQVHA-UHFFFAOYSA-N	307.398	1.591	50	20	DDGD	
CC[C@H](OC1CCCCC1)C(=O)Nc1cccc(B(O)O)c1	584911872	ISYSVMIYQZSKMB-HNNXBMFYSA-N	305.183	1.433	50	20	DDGD	
CS[C@H]1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1	830878398	PRSLZEAHIOSUON-LBPRGKRZSA-N	311.382	1.024	50	20	DDGD	
Cc1c(Cl)cccc1C(=O)NNC(=O)CN1CCCC1=O	913733062	UOQAOKZYTRRUSZ-UHFFFAOYSA-N	309.753	1.032	50	20	DDGD	
CCc1sc([C@@H](C)NC(=O)c2cccc(B(O)O)c2)cc1C	584965342	NDMIPDBVZARXKN-LLVKDONJSA-N	317.219	1.790	50	20	DDGD	
CC(C)(CC(=O)O)CC(=O)NNC(=O)[C@@H]1Cc2ccccc2O1	833454935	YBTGONCOGKQOIZ-LBPRGKRZSA-N	320.345	1.029	50	20	DDGD	
COc1ncc(C(=O)NNC(=O)c2cc3c(s2)CCC3)cn1	733947796	HDVYLYZNCNNJFN-UHFFFAOYSA-N	318.358	1.110	50	20	DDGD	
CC[C@@H](OC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)OC(C)(C)C	837971381	MYPJUFMXXNYTST-BWODNOAJSA-N	319.361	1.991	50	20	DDGD	
Cc1ccc2[nH]c(C(=O)NNC(=O)[C@@H]3CCCCO3)cc2c1	833255570	GLAPIKYMUDVYTE-AWEZNQCLSA-N	301.346	1.806	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCC(=O)N(C)Cc1ccccc1	918090153	KAZKTHDNTDQHTI-UHFFFAOYSA-N	320.393	1.022	50	20	DDGD	
Cc1nnc(CN(C)C(=O)[C@@]2(C)C[C@@H]2Br)s1	912726692	BKOPVVZGBNWOIW-XVKPBYJWSA-N	304.213	1.978	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@@H](O)c1ccsc1	740026438	XOYBHAGWZSCLBD-CYBMUJFWSA-N	319.386	1.734	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CC(F)(F)F)n1cnc2ccccc21	918366306	MEXYESIYABLHQZ-QMMMGPOBSA-N	314.267	1.697	50	20	DDGD	
C/C(C=NNC(=O)Cc1cc(O)nc(O)n1)=C\c1ccccc1	743447020	ACLUNIUONNRLPE-CSINRGFGSA-N	312.329	1.636	50	20	DDGD	
COCC(=O)NN=C(C)c1ccc(O)c(Br)c1	844587808	UPDIMNJBEDHZCM-UHFFFAOYSA-N	301.140	1.641	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)Cc1cccc(Cl)c1	848449511	OUSNWDBNJPETBL-UHFFFAOYSA-N	304.799	1.837	50	20	DDGD	
N#Cc1cccc(NNC(=O)CN2Cc3ccccc3C2=O)c1	748031281	PLGLAMVYIWUOEC-UHFFFAOYSA-N	306.325	1.657	50	20	DDGD	
COc1nccnc1NNC(=O)CCCC(=O)c1ccccc1	910580373	GMVOMAPTCMTRLA-UHFFFAOYSA-N	314.345	1.982	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cc(F)c(F)c(F)c1	748259503	WKVVCDIDZYGTEI-QMMMGPOBSA-N	304.268	1.606	50	20	DDGD	
COc1cc(C=NNC(=O)N(C)C)c(Br)cc1O	745602841	ZFRBBXRDZJVRCJ-UHFFFAOYSA-N	316.155	1.768	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1Cl)N[C@H]1[C@@H]2CNC[C@@H]21	842000161	SJGJSJPSMGNRAA-VROVMSAKSA-N	301.177	1.837	50	20	DDGD	
O=C(COCCc1ccccc1)NNC(=O)CC1CCCC1	749940773	MWKVQBFHRJULTC-UHFFFAOYSA-N	304.390	1.973	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CCOc2ccccc2)on1	845337954	BHEROFUEROYDNX-UHFFFAOYSA-N	303.318	1.142	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)C2CCOCC2)cc1	743828698	AWUNDVXARYBUHR-UHFFFAOYSA-N	306.366	1.332	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1F)N[C@@H]1CCS(=O)(=O)C1	913833744	KMIAGTNHDZPWTQ-MRVPVSSYSA-N	321.761	1.292	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1cccc2c1OCCCO2	842553222	FWLIOIDQPPNCRC-YPMHNXCESA-N	304.346	1.723	50	20	DDGD	
CC(C)C(=O)NNC(=O)Cn1c(=O)sc2c(F)cccc21	842582142	PNMIVWLZQZUILZ-UHFFFAOYSA-N	311.338	1.006	50	20	DDGD	
NC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	911877751	PNUPURIOZVBAMH-RQJHMYQMSA-N	321.686	1.923	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)C[C@@H](C)n2ccnc2)n1	846638011	CWVBLGAYHRJLCY-GFCCVEGCSA-N	317.397	1.614	50	20	DDGD	
CCOC(=O)CC(=O)NNc1ncnc(Cl)c1C(C)C	840548993	UQSZPACIFGVUFW-UHFFFAOYSA-N	300.746	1.650	50	20	DDGD	
COc1cc(OC)c(C=NNC(=O)[C@H]2CCO[C@H]2C)c(OC)c1	842560034	WNIJLUCLHDEKPH-JQWIXIFHSA-N	322.361	1.588	50	20	DDGD	
CC(C)(C)N1CCC(NC(=O)NNC(=O)CC(F)(F)F)CC1	918097005	JUJZJZXMMPZICD-UHFFFAOYSA-N	324.347	1.532	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)c2ocnc2C)cc1OC	747347706	DIHRUEDKNLYRQV-UHFFFAOYSA-N	319.317	1.465	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)CCc1ccccc1F	849303335	AXQCJZPYWBKSMR-UHFFFAOYSA-N	302.371	1.365	50	20	DDGD	
CCC(=NNC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@@H]1C[C@@H]1C	841641064	QLTWQDYHOVJTHJ-JOYOIKCWSA-N	324.406	1.878	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1ccccc1CC(=O)OC	846759891	YMSLUQDWDUNRIC-SDNWHVSQSA-N	302.330	1.462	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)c2c[nH]c3ccccc23)c1C1CC1	747150880	JVDSVLBMFJMXBV-UHFFFAOYSA-N	323.356	1.854	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1ccc(F)cc1F	843659680	IOPHSOJZSOIOCQ-SKDRFNHKSA-N	312.316	1.470	50	20	DDGD	
O=C(NC[C@H]1CCCCN1)NNc1ccc2c(=O)[nH]ccc2c1	841920406	FHXAGMQHGYLUKH-CYBMUJFWSA-N	315.377	1.296	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1cccc(OC)c1O	844584106	MPNSEYIRCNYNKD-LLVKDONJSA-N	310.350	1.293	50	20	DDGD	
CC(C)[C@@H]1C[C@H](CC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CCO1	843659140	HLHIIXCJQDYQDL-DGAVXFQQSA-N	312.410	1.400	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](C[C@@H]1CCCO1)C(=O)OCC	924877506	QZMDOGGYXDTEKZ-SENBOFQLSA-N	310.350	1.047	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cc1cnccc1Cl)C1CC1	855097067	ISLLQTTWCGVIMR-QMMMGPOBSA-N	312.826	1.571	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H](C)Oc1ccc(SC)cc1	854924626	MAFCHLDPNPCYSF-SECBINFHSA-N	313.448	1.643	50	20	DDGD	
CCCCn1nnnc1CN(C)NC(=O)OCc1ccccc1	859389553	JQOREPMHITUWTH-UHFFFAOYSA-N	318.381	1.746	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNC(=O)COc1ccc(C)cc1	858140735	DSOGSDHEMRFEOL-CQSZACIVSA-N	308.378	1.726	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-]	854928116	XKGVNHOQDOORII-UHFFFAOYSA-N	316.770	1.638	50	20	DDGD	
Cc1ccn2cc(C(=O)NNC(=S)N[C@H](C)C3CC3)nc2c1	751617638	JUHBGSVAOPXVGH-SNVBAGLBSA-N	317.418	1.550	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ncccc2Cl)[C@H]2CCCC[C@H]2N1	857127528	TXBPZMFHCPRJSW-JFGNBEQYSA-N	322.796	1.873	50	20	DDGD	
CC(C)C(=O)NNC(=O)Cc1ccc(Br)c(F)c1	751548954	PKPHGODRGAMUKH-UHFFFAOYSA-N	317.158	1.934	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cccnc1OCC(F)(F)F	921041003	UJCYZRQOKCZFHK-UHFFFAOYSA-N	320.271	1.377	50	20	DDGD	
CC(C)N(CC(=O)NNC(=O)c1cccc(C#N)c1)C1CC1	756487804	LBKSPEKENUXCDO-UHFFFAOYSA-N	300.362	1.192	50	20	DDGD	
C[C@@]1(CNC(=O)CCCNC(=O)C2CC2)C[C@@H]1Br	857399232	QTORWCOFMRAEQQ-GWCFXTLKSA-N	317.227	1.583	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ncnc2ccsc12	855092750	ASJDTOFFYSSCSX-UHFFFAOYSA-N	321.431	1.600	50	20	DDGD	
CCC[C@H](CNC(=O)NNC(=O)Cc1ccncc1)OCC	858681634	IGSUHXWFPVFBJH-CYBMUJFWSA-N	308.382	1.160	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)N[C@H](C)C(=O)NNC(=O)CC(C)C	754157877	ZRBJROGKALWXSF-MWLCHTKSSA-N	310.398	1.524	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2cnn(C)c2)c1C	853473415	GFUYGFVMPRBLED-UHFFFAOYSA-N	317.349	1.341	50	20	DDGD	
O=C(NC[C@H]1CC1(Cl)Cl)NNC(=O)c1cccc(F)n1	851969530	HAQTTWPLQGUJFH-ZCFIWIBFSA-N	321.139	1.359	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1cccnc1-n1cncn1	756291750	LYSDWDHNJMFXKY-UHFFFAOYSA-N	315.337	1.005	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)c(C)n1	858151072	RUDIKJICJCRMQU-UHFFFAOYSA-N	320.780	1.869	50	20	DDGD	
CC(C)c1nc(C=NNC(=O)N2CCOCC2)c2ccccn12	755673690	RUEQRFBUOJBSIP-UHFFFAOYSA-N	315.377	1.833	50	20	DDGD	
Cc1cc([C@@H](C)NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(C)s1	858133547	SLBVCQDRYNNJDP-KCJUWKMLSA-N	324.406	1.035	50	20	DDGD	
Cn1cc([C@@H](O)C(=O)NNc2ccc(C(F)(F)F)cn2)cn1	857489027	PUTCKPNDIBQNPM-SNVBAGLBSA-N	315.255	1.011	50	20	DDGD	
C[C@H](CO[C@H]1CCOC1)NC(=O)NNc1ccc(Cl)cn1	852195757	KGHRIUHRELNBOR-KOLCDFICSA-N	314.773	1.555	50	20	DDGD	
COCCN(C)NC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C	854410515	ZEYVHNVRQLXOCM-NSHDSACASA-N	302.415	1.600	50	20	DDGD	
CCc1nc(C=NNC(=O)c2ccnc(N(C)C)c2)cs1	755708063	AREITFZKNGERRC-UHFFFAOYSA-N	303.391	1.930	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(N2CCCC2=O)cc1	755473993	QBXIDZJMORWOTI-UHFFFAOYSA-N	320.349	1.003	50	20	DDGD	
C[C@H](NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(F)(F)F	862307676	NQAQOAMFIINYEP-IUCAKERBSA-N	319.283	1.200	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNc1ccccc1OC(F)(F)F	867536794	ZGJZTZPWRMLRGA-SECBINFHSA-N	319.283	1.943	50	20	DDGD	
CC(C)(CCC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1	862457879	SQPCVXIIJHSSFL-ZDUSSCGKSA-N	317.389	1.170	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@@H]1CC1(Cl)Cl	863091460	IYNHYTCSNKJYHA-VKHMYHEASA-N	301.042	1.999	50	20	DDGD	
C[C@H](NNC(=O)[C@@H](O)Cc1ccccc1Cl)C(F)(F)F	862318603	RMXYSEDMAJWQDW-XVKPBYJWSA-N	310.703	1.815	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C1CCC(OC2CCCC2)CC1	863183592	HVPTWWVYQKDCCT-UHFFFAOYSA-N	316.423	1.405	50	20	DDGD	
N#CCCCOc1cccc(C=NNC(=O)[C@@H]2CCC(=O)N2)c1	863148985	OCIQWDRLWNFNSK-AWEZNQCLSA-N	314.345	1.098	50	20	DDGD	
Cc1ccc(C=NNC(=O)c2nnc(O)c3ccccc23)cn1	764896452	OQIHTNJIBNPXAL-UHFFFAOYSA-N	307.313	1.803	50	20	DDGD	
CCCOc1ccc(NC(=O)C(=O)NNC(=O)CC)cc1C	861803107	TYQWQGIVUFQKPH-UHFFFAOYSA-N	307.350	1.280	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](C(=O)NNC(=O)Cc2cccnc2)CCO1	931968041	OOASGUCJAWMGCR-KBPBESRZSA-N	305.378	1.223	50	20	DDGD	
COC(=O)c1coc(C(C)=NNC(=O)Cc2ccncc2)c1	766454538	JAQTVBNWFSHJJD-UHFFFAOYSA-N	301.302	1.544	50	20	DDGD	
C[C@@H](COCC1CC1)NC(=O)NNc1nncc(N)c1Cl	1118305564	URPUXZCTJCTBJS-ZETCQYMHSA-N	314.777	1.153	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NNc1cc(C#N)cc(Cl)n1	769057899	ZPEAFNIUSJMPGA-NXEZZACHSA-N	307.785	1.923	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@H]1COC(C)(C)O1	769216285	OROKZAUTJHLFKE-NSHDSACASA-N	315.801	1.620	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc2c(cnn2C(C)C)c1	763437785	GXAGCLGTJHXTIJ-UHFFFAOYSA-N	317.349	1.113	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCC(C)(F)CC1	879381434	BZGIOYACZISOFZ-UHFFFAOYSA-N	321.396	1.509	50	20	DDGD	
CCOc1cccc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC)c1	772038238	UIAMHEQWALTNLX-JTQLQIEISA-N	308.334	1.188	50	20	DDGD	
C[S@](=O)c1cccc(C(=O)NNc2ncccc2[N+](=O)[O-])c1	771739423	SKXQURITDRAXRO-QFIPXVFZSA-N	320.330	1.484	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1cnn(-c2cccnc2)c1	771617146	RIGVMODSTTZDCW-UHFFFAOYSA-N	314.736	1.495	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@H]2CCCN2C)c1	874947237	HBZZYSBGGNQWOE-GFCCVEGCSA-N	310.398	1.546	50	20	DDGD	
O=C(NNC(=O)C1CSC1)c1ccc(Br)cc1	1119438861	OQSXBAYKNHPUTI-UHFFFAOYSA-N	315.192	1.573	50	20	DDGD	
C=Cn1cc(C=NNC(=O)COc2ccc(OC)cc2)cn1	773006060	PSTACNCVMBEACK-UHFFFAOYSA-N	300.318	1.521	50	20	DDGD	
Cn1ccc(NNC(=O)CCCNC(=O)c2ccccc2)n1	1116837907	ZFTVNYPLXDBQFK-UHFFFAOYSA-N	301.350	1.073	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNc2cccc(S(C)(=O)=O)c2)CCC1=O	776526864	ABWIFRMYYUKHMC-WDEREUQCSA-N	324.402	1.539	50	20	DDGD	
CCCn1cc(C=NNC(=O)COc2cc(C)cc(C)c2)nn1	872329705	WBGYZVDZUIENTA-UHFFFAOYSA-N	315.377	1.834	50	20	DDGD	
CC(C)[C@H]1CC(=NNC(=O)[C@H](C)CN2CCOCC2)CCO1	776764082	XIGYTWWCUILOTK-UKRRQHHQSA-N	311.426	1.262	50	20	DDGD	
Cc1nccc(NC(=O)NNC(=O)CCCc2ccccc2)n1	776497283	JUCYGKSXMZSAMT-UHFFFAOYSA-N	313.361	1.961	50	20	DDGD	
COCc1noc(COC(=O)/C(C#N)=C\c2ccc(O)cc2)n1	777106661	XFSRDHLPONNAIP-WDZFZDKYSA-N	315.285	1.572	50	20	DDGD	
COCCOCC(=O)NN=C1CN(Cc2ccccc2)C[C@H]1C	872401762	IKVHYMJQNRJZAS-CQSZACIVSA-N	319.405	1.274	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1cnn(-c2ccccc2)n1	775699999	SKCQMIAXJBUXCN-UHFFFAOYSA-N	314.284	1.345	50	20	DDGD	
Cc1cc2c(cc1NC(=O)NNc1ncc(F)cn1)OCO2	775722045	DGXFRYHHDCXJEP-UHFFFAOYSA-N	305.269	1.801	50	20	DDGD	
CN(C)N(C(=O)[C@H]1CCCC1(C)C)[C@H]1CCS(=O)(=O)C1	776305762	HLYLNQUYPGATPX-NWDGAFQWSA-N	302.440	1.305	50	20	DDGD	
O=C(c1ccccc1)c1nc[nH]c1C(=O)NNc1ncccn1	776327246	FQTVAVKSRCJUFA-UHFFFAOYSA-N	308.301	1.188	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@H](CCO)c1ccccc1	774854309	YJHKMYMNOPLCHI-UKRRQHHQSA-N	321.421	1.282	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1c(C)nn(C(C)(C)C)c1C	779821239	QNIJSCZNFHUDPD-UHFFFAOYSA-N	309.370	1.061	50	20	DDGD	
CN(C)c1ccncc1C=NNC(=O)Cc1ccccc1F	776185518	CDETUJWLMDWHBI-UHFFFAOYSA-N	300.337	1.980	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCO[C@H](C(C)C)C2)cc1	778242858	YQTRIPSYLUZBLC-HNNXBMFYSA-N	319.405	1.113	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNc2cc(Cl)ccn2)n1	778450193	WHROYFRUUCXNIL-UHFFFAOYSA-N	306.709	1.674	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCc2ncncc2C1	882868340	FXWDMRARXJMTLE-UHFFFAOYSA-N	303.815	1.430	50	20	DDGD	
COCC(=O)NN=CC(C)(C)[C@H](C[N+](=O)[O-])c1ccccc1	771095496	AXKFVOWAWWPLBW-CYBMUJFWSA-N	307.350	1.822	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Cn1cc(-c2ccsc2)nn1	881307512	ZIFGQZMTPNCCKH-UHFFFAOYSA-N	307.379	1.200	50	20	DDGD	
CCn1cc(CC(=O)NNC(=O)NCCc2cccs2)cn1	780470705	YZEVVRYUDNAMMW-UHFFFAOYSA-N	321.406	1.080	50	20	DDGD	
N#Cc1cccc(NNC(=O)N[C@H]2CCCC23OCCO3)c1	889508995	QWXZDYJDQIQOKM-ZDUSSCGKSA-N	302.334	1.480	50	20	DDGD	
CCCC[C@@H](NC(=O)NNC(=O)c1cccnn1)C1CCC1	883851578	VIOCTMJMQHBWDV-GFCCVEGCSA-N	305.382	1.780	50	20	DDGD	
CCCCN(C)C[C@@H](C)NC(=O)NNc1ccc(C#N)cn1	889056965	VIDQSHPDAGPCFA-GFCCVEGCSA-N	304.398	1.700	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNc1cccnn1)c1ccnn1C	788109924	DWXMXBFOZJDMRW-NSHDSACASA-N	303.370	1.276	50	20	DDGD	
CNc1ccc(C(=O)NNc2ccnc(F)c2)cc1[N+](=O)[O-]	781359581	YBDFDNGBUAKJBA-UHFFFAOYSA-N	305.269	1.928	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1sccc1-n1cccc1	883061084	HYAODJRQNCIPRS-UHFFFAOYSA-N	319.386	1.726	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)C(=O)Nc1cnn(C(C)C)c1	783444288	BVHYZFCKVDRKNW-UHFFFAOYSA-N	319.340	1.993	50	20	DDGD	
O=C(NCC[C@H]1C[C@H]2CC[C@H]1C2)NNC(=O)C1CCOCC1	883151109	CCMKERVKQTWVDP-UBHSHLNASA-N	309.410	1.570	50	20	DDGD	
O=S(=O)(CCCCl)N1CCN(Cc2cscn2)CC1	881809477	PKFQBLHVBDOQLF-UHFFFAOYSA-N	323.871	1.219	50	20	DDGD	
CN(C)c1cccc(CCC(=O)NNC(=O)C2CCOCC2)c1	883068773	HSOSRVIMFDUBIW-UHFFFAOYSA-N	319.405	1.259	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)cc1Cl	787265051	PLTILGIRQUGRIM-VHSXEESVSA-N	320.780	1.946	50	20	DDGD	
CC(C)C1(C(=O)NNc2nc(O)c3ccccc3n2)COC1	896419390	KIYUXINNZURXQZ-UHFFFAOYSA-N	302.334	1.451	50	20	DDGD	
COC(=O)Nc1ccccc1C(=O)NNC(=S)NC(C)(C)C	899995664	ZGUXALWZRGHZIB-UHFFFAOYSA-N	324.406	1.772	50	20	DDGD	
C[C@@H]1CN(/C(=C\C#N)c2cccc([N+](=O)[O-])c2)C[C@H](CO)O1	787318998	IFMJGOVMTYIOOE-NNGDNDPBSA-N	303.318	1.541	50	20	DDGD	
O=S(=O)(CBr)N[C@H]1C[C@H]1c1cccc(F)c1	782424827	IXEPISHJWNKDGJ-UWVGGRQHSA-N	308.172	1.953	50	20	DDGD	
O=C(NC[C@H]1CCC=CO1)NNC(=O)c1c[nH]c2ccccc12	780743894	GZXJAJIMVHRJKY-LLVKDONJSA-N	314.345	1.805	50	20	DDGD	
COc1ccc(C=NNC(=O)c2ccc(O)c(O)c2)cc1O	794558231	ZQMQMOJWCNGLQZ-UHFFFAOYSA-N	302.286	1.576	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccnn2-c2ccccc2)n1	792053566	ZXNXQWHAICDQRL-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)C(=O)Nc1cccc(F)n1	793029963	UXRKWHUUTIDZBE-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
NC(=O)C1(NS(=O)(=O)c2ccc(CCCl)cc2)CCC1	747904902	QZZNECLEOAKSJK-UHFFFAOYSA-N	316.810	1.154	50	20	DDGD	
CC[C@@](C)(OC)C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	796404683	ISFHAHYCFAFQLO-MRXNPFEDSA-N	322.361	1.114	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1CCCC12CCOCC2	799873717	WBJQVSXMRQCHNU-CQSZACIVSA-N	323.437	1.408	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](c1cccnc1)C(C)C	798113914	GMKFQHBAUNJRFI-LBPRGKRZSA-N	301.350	1.763	50	20	DDGD	
COC[C@@H](C)n1ccc(NC(=O)NNc2ncccc2C)n1	792405738	ACDJFWFIYDANAZ-LLVKDONJSA-N	304.354	1.943	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cn(C)nc1-c1cnn(C)c1	791222652	ONVJBGRWMRBEHL-UHFFFAOYSA-N	311.349	1.281	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cc(O)cc([N+](=O)[O-])c1	791243446	SKUYXWXOAGIIOI-UHFFFAOYSA-N	314.261	1.100	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2cccc(C)n2)cc(O)n1	794081287	ASWOEQDTBNRHCX-UHFFFAOYSA-N	300.318	1.128	50	20	DDGD	
Nc1cnnc(NNC(=O)c2n[nH]c3c2CCCC3)c1Cl	1319214396	HLDXSNPRMQEWCB-UHFFFAOYSA-N	307.745	1.071	50	20	DDGD	
Nc1cnnc(NNC(=O)C2=Cc3ccccc3OC2)c1Cl	1319219442	KPGHSMXROZKEOY-UHFFFAOYSA-N	317.736	1.631	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cc(CN(C)C)on1	1320250084	UVWILGXEGBICDI-UHFFFAOYSA-N	321.289	1.872	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)NC/C=C/C2CC2)cc1	1326781784	NHCXUXAGPWFLBH-OWOJBTEDSA-N	314.345	1.234	50	20	DDGD	
C[C@@]1(CNCc2ccc(S(C)(=O)=O)o2)C[C@H]1Br	1331336362	BDAGKFHEXVSXBR-KOLCDFICSA-N	322.224	1.946	50	20	DDGD	
CO[C@H]1CCC[C@@H]1C(=O)NNC(=O)NCCc1cccs1	1335753845	IAYPWNPKGKKERZ-RYUDHWBXSA-N	311.407	1.436	50	20	DDGD	
C[C@@]1(COC(=O)c2ccn3nnnc3c2)C[C@@H]1Br	1263537014	JBWOIYAIVCHVRG-KWQFWETISA-N	311.139	1.455	50	20	DDGD	
C[C@@]1(NC(=O)NNc2c(F)cccc2Cl)CCOC1=O	1520139423	ODHBYSYVBXUKGI-GFCCVEGCSA-N	301.705	1.811	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1ccc(F)c(C(=O)O)c1)C(C)C	1603035441	WYLLRSGRWOTACR-GFCCVEGCSA-N	311.313	1.128	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2cc(C(=O)O)ccc2F)CC1	1601059049	UEGMTZYJVMJPRJ-UHFFFAOYSA-N	310.306	1.368	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)NC[C@H]2CCCS2)cc1	1602127905	DXKBYXPPBXBREH-GFCCVEGCSA-N	309.391	1.835	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2ccc(F)c(C(=O)O)c2)CCO1	1604676135	KFXPIDGABKBFIC-IUCAKERBSA-N	311.313	1.718	50	20	DDGD	
COC(=O)N(C)NC(=O)c1[nH]c2ccccc2c1CC(=O)O	1606488243	VEBDDKJHPUTSKS-UHFFFAOYSA-N	305.290	1.138	50	20	DDGD	
CC1(C)COCC1=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1609147101	KQEXIFDTMHDOMG-UHFFFAOYSA-N	300.322	1.009	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2Cc3cccnc3C2)cc1C(=O)O	1600462206	GJAYBVGSAJENPX-LBPRGKRZSA-N	311.341	1.946	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNc1cccc(C(=O)O)c1C	1605505657	MJATWKGMJGZAQT-UHFFFAOYSA-N	308.334	1.726	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@H]2CC23CCOCC3)ccc1F	1602286431	FUWGEDNWITVDLF-LLVKDONJSA-N	308.309	1.784	50	20	DDGD	
CN1CCC(CC(=O)NNc2ccc(C(=O)O)cc2F)CC1	1606213740	KGAYKZPIZLYRTP-UHFFFAOYSA-N	309.341	1.699	50	20	DDGD	
O=C(O)COc1ccc(C(=O)NNc2ccnc(F)c2)cc1	1602081126	HOWGBOYLQDYASZ-UHFFFAOYSA-N	305.265	1.441	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@H]2CC[C@H](C(=O)O)CC2)c1	1601087614	HOQWHIASJFOFQI-MGCOHNPYSA-N	322.752	1.941	50	20	DDGD	
Cc1cc(C=NNC(=O)c2ccncc2)ccc1-c1nn[nH]n1	1605652296	IBUAGBSIWJRSAQ-UHFFFAOYSA-N	307.317	1.334	50	20	DDGD	
O=C(CCOCC(F)(F)F)NNc1ccc(F)c(C(=O)O)c1	1610656987	LFNVDJDHRDQQGE-UHFFFAOYSA-N	324.230	1.936	50	20	DDGD	
O=C(C1CCC(Cl)CC1)N1CCS(=O)(=O)[C@H]2CCC[C@H]21	1548715925	SRFNPPPBCAMETB-TUUUFIMRSA-N	319.854	1.962	50	20	DDGD	
O=S1(=O)C[C@H](OC2CCC2)[C@@H](I)C1	158380353	JTMOUPQLQHYNDY-YUMQZZPRSA-N	316.160	1.156	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)NN=C1CCOC1(C)C	1549312062	ADYKZVUCEDBCLI-SMDDNHRTSA-N	320.393	1.559	50	20	DDGD	
O=C(NN=C1CCC[C@@H]1CCCF)[C@@H]1CN2CCC[C@H]2CO1	1549320342	LYUWANAUOJVLLJ-IPYPFGDCSA-N	311.401	1.872	50	20	DDGD	
NCC1(CC(=O)NNC(=O)NCc2ccccc2)CCCCC1	1574270428	FYDYQHDJBBFCPS-UHFFFAOYSA-N	318.421	1.816	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CC[C@@H](C3CC3)N2)cc1	1579724058	OZQZMSJXJWVPRI-GJZGRUSLSA-N	316.405	1.085	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@H]2CCNC[C@H]2C1	1579895111	CXVPHUMPVQOQKJ-OLZOCXBDSA-N	310.829	1.420	50	20	DDGD	
CC(C)CCSCC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1589607166	HMAVDSKAQZOYBR-UHFFFAOYSA-N	321.410	1.484	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1ccc(-c2nn[nH]n2)s1	1588775853	LQULTCICQJIFCP-DTWKUNHWSA-N	320.378	1.193	50	20	DDGD	
N[C@H](C(=O)NN=c1cc[nH]cc1)c1ccc(Br)cc1	1580115543	YZUKPWMSZLAKHQ-LBPRGKRZSA-N	321.178	1.409	50	20	DDGD	
CC(C)C(=O)N1CC2(CCCN2C(=O)CCBr)C1	1842637700	VWLRKXIISKMCQW-UHFFFAOYSA-N	317.227	1.631	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NC[C@]2(C)C[C@H]2Br)O[C@H]1C(=O)O	1599875246	QJGINDWUKCERDZ-QFQOQTIOSA-N	320.183	1.154	50	20	DDGD	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ccc(C(=O)O)cc1F	1598896218	YEHGWVCMODLQCL-DTWKUNHWSA-N	310.281	1.166	50	20	DDGD	
COc1ccccc1C(=O)NN=Cc1cccn1[C@@H](C)C(=O)O	1599697167	PDVJNQRBGMXEBA-NSHDSACASA-N	315.329	1.906	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H](C(=O)O)C(C)(C)C)cc1	1594375833	QDQLFNOELVISHB-ZDUSSCGKSA-N	322.361	1.268	50	20	DDGD	
CO[C@H](C(=O)O)C(=O)NNc1c(C)cccc1Br	1593911917	UGSCCTAWAJPZFK-VIFPVBQESA-N	317.139	1.300	50	20	DDGD	
Cn1cc(C(=O)O)cc1C=NNC(=O)COc1ccc(F)cc1	1776025685	RJMBPXPKJIQIRM-UHFFFAOYSA-N	319.292	1.392	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccncc2)ccc1OC(C)=O	13114984	PSUHJNDMPGSVDE-UHFFFAOYSA-N	313.313	1.779	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Cc2ccc(F)cc2)c1	16005521	HTFONAIHMSVNRX-UHFFFAOYSA-N	316.332	1.903	50	20	DDGD	
CC(C)CCC(=O)NCC(=O)NNc1ccc([N+](=O)[O-])cc1	150864915	XSBOCNIXNUBIQV-UHFFFAOYSA-N	308.338	1.590	50	20	DDGD	
Cc1nc(CC(=O)NNC(=O)NCC(F)(F)F)c(C)s1	162851207	SNUWHAFJJKMHIP-UHFFFAOYSA-N	310.301	1.195	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1ccnn1CC1CC1	160364787	OKMWROJWXROYIY-UHFFFAOYSA-N	302.338	1.098	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)c1cc(Br)c[nH]1	152173114	HVAXVSPIYNYTNA-SSDOTTSWSA-N	318.171	1.353	50	20	DDGD	
CCC1(CC)NC(=O)N(CC(=O)NNc2ccccc2F)C1=O	153293393	LCJAGNGWAIKOIM-UHFFFAOYSA-N	322.340	1.379	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CC[C@H]2CCOC2)n1	155704890	BNSIQELGHLFFKZ-LBPRGKRZSA-N	307.398	1.583	50	20	DDGD	
O=C(NNc1ccncc1Cl)[C@@H]1CC(=O)N(C2CCCC2)C1	154791601	VOHIZHWSZGHPQS-SNVBAGLBSA-N	322.796	1.969	50	20	DDGD	
O=S(=O)(CBr)NCc1cc(F)ccc1F	127465279	HAHRHDZRXSKCGU-UHFFFAOYSA-N	300.124	1.737	50	20	DDGD	
CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)CC(C)(C)CCl)C1	866985926	NGBZVSSSPLCNID-OLZOCXBDSA-N	322.902	1.997	50	20	DDGD	
CC(C)CN(Cc1ccccc1)C(=O)c1ccc(B(O)O)cc1	584937117	QZAVQOHWVFMLPF-UHFFFAOYSA-N	311.190	1.665	50	20	DDGD	
CC(C)(CNS(=O)(=O)CBr)N1CCCCC1	782410169	FVIMGWZDZAXPHN-UHFFFAOYSA-N	313.261	1.523	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1ccccc1C(=O)O	254523197	WMFZTORRNDHVAN-UHFFFAOYSA-N	304.331	1.496	50	20	DDGD	
COCC(=O)NNC(=O)COc1ccccc1-c1ccccc1	6638384	LZLFMWCSBFUYGN-UHFFFAOYSA-N	314.341	1.526	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)[C@@H]2CCOC2)cc1	105510203	GQYBVPBGZAAAFM-SNVBAGLBSA-N	308.407	1.107	50	20	DDGD	
CCOc1ccc(OCC(=O)NNC(=O)c2ccccc2)cc1	8290390	FAXMJDDXNHUDBQ-UHFFFAOYSA-N	314.341	1.925	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCN(c2ccccc2F)CC1	109150318	XQWSTJSWJGRDSV-UHFFFAOYSA-N	322.384	1.735	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)Cc1ccc(F)cc1)N(C)C1CC1	105265671	BAZSBEUIJWFPTG-NSHDSACASA-N	322.384	1.181	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cccc(CN2CCOCC2)c1	110632376	FOMYBZIEXAEHID-UHFFFAOYSA-N	319.405	1.326	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C	53675167	XHIYDIMMVYZTIT-BPKVKKHESA-N	319.405	1.982	50	20	DDGD	
CCO[C@H](C)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	103523345	YEPRKAWVFUNDPH-MRVPVSSYSA-N	322.333	1.551	50	20	DDGD	
Cc1nc(Cl)ccc1C(=O)NNC(=O)c1ccc(C#N)cc1	119708657	SYUUNEZYVNRGPU-UHFFFAOYSA-N	314.732	1.990	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cc(F)cc(F)c1	55352520	LRCDYEIMRJCYSI-UHFFFAOYSA-N	320.295	1.977	50	20	DDGD	
O=C(CSCc1ccncc1)NNc1nccnc1Cl	114896003	WEMBEMWZQZZATN-UHFFFAOYSA-N	309.782	1.902	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NNC(=O)CCC2CCC2)c1	175545864	FVJGJRXPVVLDRQ-UHFFFAOYSA-N	324.402	1.431	50	20	DDGD	
Cc1nccn1CCCC(=O)NNC(=O)Cc1ccc(F)cc1	68999664	NRHVSZLYSOTDAE-UHFFFAOYSA-N	318.352	1.501	50	20	DDGD	
CSC[C@@H](C)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	66754220	VZPJPLPSAQXABK-ZJUUUORDSA-N	314.382	1.740	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)/C=C/c1ccc2ccccc2n1	110760627	ROAOOFDWAMWWMJ-CMDGGOBGSA-N	321.340	1.741	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccccc1C(=O)c1ccccc1	65190707	NQQQMNCRHBJXRO-UHFFFAOYSA-N	311.341	1.882	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Cc1ccccc1OC(F)F	118305560	LCTJECOXUSEKIO-UHFFFAOYSA-N	323.299	1.630	50	20	DDGD	
C=CCCC(=O)NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1	111054180	MMESNTRDUFHZTA-UHFFFAOYSA-N	304.354	1.284	50	20	DDGD	
Cc1cccc2c(CCC(=O)NNC(=O)CN(C)C)c[nH]c12	175944287	CFFLAWZZTSGLDR-UHFFFAOYSA-N	302.378	1.118	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)Cc1cccc2ccccc12	61544151	KFFGYQYDIRXNAY-UHFFFAOYSA-N	313.357	1.054	50	20	DDGD	
CCC[C@H](Cc1ccccc1)NC(=O)NNC(=O)[C@@H]1CCCO1	69881803	LLTRFRBNXSYCBO-CABCVRRESA-N	319.405	1.907	50	20	DDGD	
C[C@H]1CN(CC(=O)NNC(=O)c2ccc(F)cc2)CC(C)(C)O1	68477569	HSAFROVUSZVPRD-NSHDSACASA-N	323.368	1.086	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H]1C1CC1)c1ccc2c(c1)OCCO2	176601616	KQNCIHRDGNJXCX-NEPJUHHUSA-N	302.330	1.265	50	20	DDGD	
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NNc1ncccn1	129319929	OCQKPZHZUAYLJU-AWEZNQCLSA-N	311.345	1.895	50	20	DDGD	
CN(CC(=O)NNc1ccnc(F)c1)c1ccccc1[N+](=O)[O-]	182406726	YCRCEKDDEGUPNF-UHFFFAOYSA-N	319.296	1.708	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C(C)(C)C)cnn1-c1ccccn1	77220651	NPROLPQQPDTWMJ-UHFFFAOYSA-N	301.350	1.383	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H]2[C@H]3CCO[C@@H]3C23CCC3)n1	181489880	LVUDLEXBETWZFK-SWHYSGLUSA-N	318.377	1.674	50	20	DDGD	
CCc1ncsc1C(=O)NNC(=O)Cc1ccc(F)cc1	128046461	MUDIPURPTKSJND-UHFFFAOYSA-N	307.350	1.848	50	20	DDGD	
Cn1ccc(CC(=O)NNc2ccc(-c3ccccc3)nn2)n1	180826038	VFYWQOYKPMRPHG-UHFFFAOYSA-N	308.345	1.563	50	20	DDGD	
COCCC1(C(=O)NNC(=O)CNc2ccc(C)cc2C)CC1	126928899	YCQPBJXJIIPQAD-UHFFFAOYSA-N	319.405	1.679	50	20	DDGD	
CC(C)COc1ccc(C(C)(C)C(=O)NNC(=O)CO)cc1	182772180	SVBWPQJKDUNRNX-UHFFFAOYSA-N	308.378	1.139	50	20	DDGD	
CCN(C)C(=O)c1cccc(C(=O)NNc2ncc(F)cn2)c1	122723879	LHDFLHIKFFAYLB-UHFFFAOYSA-N	317.324	1.465	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCOc2ccccc2)n1	43160270	DKDVCKWWBISJHT-UHFFFAOYSA-N	301.350	1.799	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@H](C)c2nccs2)n1	187022399	HEDNOZIEPFJHAK-QMMMGPOBSA-N	308.367	1.372	50	20	DDGD	
O=C(NCCOCc1ccccc1)NNC(=O)c1ccccc1	83173002	FEPHFHNBLVCSDE-UHFFFAOYSA-N	313.357	1.847	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCC(=O)N1CCCCCC1	194928482	KTSMHAVGAQODHH-UHFFFAOYSA-N	312.414	1.156	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)NC(=O)c2cccs2)o1	84285219	LEFRLJUOQUSCOE-SECBINFHSA-N	321.358	1.229	50	20	DDGD	
N#Cc1cccc(CNC(=O)NNC(=O)Cc2ccncc2)c1	83186454	ANJOYFQBJNNAPT-UHFFFAOYSA-N	309.329	1.026	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NNc1nc2ccccn2n1	191891323	XYUALEXQBLJAIR-TUAOUCFPSA-N	302.382	1.434	50	20	DDGD	
O=S(=O)(NCc1ccon1)c1ccc(CCCl)cc1	93249265	ATHMJIXVHHHYNW-UHFFFAOYSA-N	300.767	1.934	50	20	DDGD	
C[C@H](CCCO)NS(=O)(=O)c1ccc(CCCl)cc1	94947125	OIBNENRCPMGZBB-LLVKDONJSA-N	305.827	1.907	50	20	DDGD	
C[C@@H]1CCC[C@@H](C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)C1	247092777	URZIWHLGNKNFRA-UPJWGTAASA-N	302.440	1.305	50	20	DDGD	
COc1ccccc1CC(=O)NN=C1C(=O)N(C)c2ccccc21	252498046	KVGNAICTUBMMDB-UHFFFAOYSA-N	323.352	1.735	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccccn2)cc([N+](=O)[O-])c1O	254579378	URGGAFINPGTQEW-UHFFFAOYSA-N	316.273	1.468	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@H](CC)N(C)C)cc1OC	268717603	HCNSHJFDWZOTCF-LBPRGKRZSA-N	323.393	1.195	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(OC)cc1C	266145004	IGTKVAQOYHGCLS-UHFFFAOYSA-N	321.377	1.069	50	20	DDGD	
O=C(C=C1CCCCC1)NNC(=O)C(=O)Nc1ccccn1	268312524	YFGYTSKGKBNKDD-UHFFFAOYSA-N	302.334	1.058	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NOCc1cccnc1	269626829	VADWSLNHQAURLC-UHFFFAOYSA-N	308.769	1.995	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)o1	268106811	BJXPBSOQFVXBTK-SKDRFNHKSA-N	306.366	1.015	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)C[C@H]2CSCCS2)n1	273570996	XXMMWOCFINTAQT-LURJTMIESA-N	319.843	1.394	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1ccccc1	278383358	LTHLWQNOECMXSN-ZIAGYGMSSA-N	303.362	1.498	50	20	DDGD	
O=C(NC[C@@H]1COC2(CCCCCC2)O1)NNc1cccnn1	271956152	FILYXHGKRBGHHM-GFCCVEGCSA-N	321.381	1.569	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C2CC2)sc1Br	270215936	KWTFABWRUPZIDA-UHFFFAOYSA-N	319.180	1.690	50	20	DDGD	
O=C(NNS(=O)(=O)C1=Cc2ccccc2OC1)C1CCC1	276579505	OSJKTGZGUMVJKD-UHFFFAOYSA-N	308.359	1.171	50	20	DDGD	
NC(=O)CCCC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	279617611	XZHSKVFDGVRFGZ-UHFFFAOYSA-N	300.702	1.347	50	20	DDGD	
CC(C)(NC(=O)C(F)(F)F)C(=O)NNc1ccc(Cl)nc1	277148382	ILCONBFFJGROSH-UHFFFAOYSA-N	324.690	1.635	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C1(S(C)(=O)=O)CC1	279387742	UBHQDTHAHJLBCK-UHFFFAOYSA-N	315.303	1.086	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@H]1CCCN1C1CC1)c1ccccc1	279133305	YKSIWBHLSWHFSB-HZPDHXFCSA-N	315.417	1.954	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@H]2CC[C@H](O)C2)cc(C#N)n1C	276905427	QIFLWVDCDADASM-WWZIKTKCSA-N	312.373	1.389	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1cnc2ccccc2n1)C(C)C	274160136	FJGBXUYAULFOGW-ZDUSSCGKSA-N	317.349	1.454	50	20	DDGD	
CN(C)c1noc(CCC(=O)NNc2c(F)cccc2F)n1	275801901	XQLIVNFGQCXNIN-UHFFFAOYSA-N	311.292	1.490	50	20	DDGD	
O=C(Cc1ccc(Cl)s1)NNC(=O)NCC(F)(F)F	283169989	KPYRAUZRISXBRA-UHFFFAOYSA-N	315.704	1.837	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CC[C@@](O)(C3CC3)C2)cc(C#N)n1C	373251962	YWDXHBWXBJYSCT-XPUDNMOSSA-N	324.384	1.486	50	20	DDGD	
C=CC[C@H](CC)NC(=O)NNC(=O)CNC(=O)c1cccs1	281299662	JECKFDMSYSVMGO-JTQLQIEISA-N	324.406	1.163	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C2=CCCCC2)cc1	289493143	ZFPULGJQYRYSKA-UHFFFAOYSA-N	303.362	1.755	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1cccc(F)n1)N1C[C@@H](C)O[C@H](C)C1	286566778	LELSJEPORVOZGV-LALPHHSUSA-N	324.400	1.798	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCSC(C)C	286573826	FEWPVQYANGSSCW-UHFFFAOYSA-N	311.407	1.781	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@](C)(O)CCc2ccccc2)n1	282795648	MMGQLUWIHJEEON-INIZCTEOSA-N	316.361	1.312	50	20	DDGD	
C#Cc1cc(F)c(NC(=O)C(=O)NNC(=O)CC(C)C)c(F)c1	283254439	LSJBTPRKIZYABO-UHFFFAOYSA-N	323.299	1.078	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)CCOc1ccccc1)C(F)(F)F	288547203	IQELAYFDDBETND-VIFPVBQESA-N	319.283	1.737	50	20	DDGD	
CC[C@@H](C)Oc1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)ccn1	295365777	JQBGVUWNIRNDPX-YPMHNXCESA-N	321.377	1.589	50	20	DDGD	
NC(=O)c1ccc(OCCC(=O)NNc2ncccc2F)cc1	804216452	UOMIMPNZDWWELF-UHFFFAOYSA-N	318.308	1.232	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1cccc2c1COC2=O	808911142	IKFFUMGPHJTWKQ-UHFFFAOYSA-N	312.285	1.219	50	20	DDGD	
COCC(C)(C)CCCNC(=O)NNC(=O)CC(F)(F)F	807583229	NNFCVCMNMIHNLB-UHFFFAOYSA-N	313.320	1.722	50	20	DDGD	
O=C(NNc1ccccc1F)[C@H]1CCCN1C(=O)C(F)(F)F	807118209	GTODMIWBZXRMTB-SNVBAGLBSA-N	319.258	1.822	50	20	DDGD	
Cc1cc(OCC(=O)NNC(=O)CC2CC2)ccc1[N+](=O)[O-]	294187612	OOXKCJIZZGJUTR-UHFFFAOYSA-N	307.306	1.230	50	20	DDGD	
COc1cc(C#N)ccc1OCCCC(=O)NNC(=O)N(C)C	299378852	MWYUUTXYNKJYCP-UHFFFAOYSA-N	320.349	1.028	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H]1OC[C@H]2COCC[C@@H]21	291015994	XGYCGSVUZOFWAD-SCDSUCTJSA-N	321.333	1.398	50	20	DDGD	
COc1ccccc1C1(C(=O)NNC(=O)[C@@H]2CCCO2)CC1	294466016	ARQBNVIOVUBZRH-ZDUSSCGKSA-N	304.346	1.053	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1n[nH]c2ccc(Cl)cc12	295358409	OSLJHSWGMKPGHE-JTQLQIEISA-N	308.725	1.156	50	20	DDGD	
CO[C@H](C)c1nsc(NC(=O)NNC(=O)C2CCCC2)n1	809922259	CGMKYHDDRWRWER-SSDOTTSWSA-N	313.383	1.588	50	20	DDGD	
CC/C=C/CNC(=O)NNC(=O)COc1ccccc1OCC	298063947	JWGXFVRRPLIXFZ-VMPITWQZSA-N	321.377	1.761	50	20	DDGD	
CCCN(CC(=O)NNC(=O)Cc1ccccc1C)CC1CC1	297788139	HCCHBKGQYONWEW-UHFFFAOYSA-N	317.433	1.807	50	20	DDGD	
CC1(C)CC[C@H]1NC(=O)NNc1ccccc1S(C)(=O)=O	806019111	PEWAGIWPONOUSY-GFCCVEGCSA-N	311.407	1.905	50	20	DDGD	
Cc1cccnc1CCCNC(=O)NNc1ncncc1F	296791221	QEMWBYZOXWSFDS-UHFFFAOYSA-N	304.329	1.578	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)CC2CC2)cc1OC	294042666	FBXJKMSUZHZKIZ-SOFGYWHQSA-N	304.346	1.665	50	20	DDGD	
CN1C(=O)CC[C@@H](NC(=O)[C@@H](Br)C(C)(C)C)C1=O	819728944	VMRDBXYSUFGYFV-VXNVDRBHSA-N	319.199	1.060	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)CNC(=O)c2ccco2)CC[C@@H]1C(=O)O	814827087	UFXYANLEQRBKFC-KOLCDFICSA-N	321.333	1.002	50	20	DDGD	
O=C(NN=C1CCn2cccc21)c1nnc(O)c2ccccc12	818235863	VKLGQPKZWJPNGV-UHFFFAOYSA-N	307.313	1.675	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NN(C)c2ccccc2)cn2ccnc12	815590098	LVBAUQHDPKLTGP-UHFFFAOYSA-N	323.356	1.749	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNc1nc(-c2cccnc2)no1	810338869	AGHOONAMOXMUOH-UHFFFAOYSA-N	319.324	1.799	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1cnc(C2OCCO2)s1	815002663	LRFLYQYYOUEPES-UHFFFAOYSA-N	319.346	1.161	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cc(O)ccc1Cl	811440159	PIUOBRJBCKSXTJ-UHFFFAOYSA-N	303.709	1.845	50	20	DDGD	
C[C@H](CN1CCCCCC1)C(=O)NN=C1CCN(CCO)CC1	819803371	OOFFIKCPXLRIAF-OAHLLOKOSA-N	324.469	1.059	50	20	DDGD	
N#Cc1ccc(NC(=O)NNC(=O)Cc2ccncc2)cc1F	810252779	JERJBZOSZJPQAR-UHFFFAOYSA-N	313.292	1.488	50	20	DDGD	
Cc1nn(C)c(N)c1C=NNC(=O)c1cccc2cccnc12	814824202	MUGLWJKTEXNWLL-UHFFFAOYSA-N	308.345	1.623	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(Cl)nc(Cl)c1)S(C)(=O)=O	819741334	KWGQPCSGWZNQBH-YFKPBYRVSA-N	312.178	1.265	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cc(O)nc(C2CC2)n1	816918130	PWHHMCVKISDTTC-UHFFFAOYSA-N	315.289	1.725	50	20	DDGD	
Cc1noc2nc(C3CC3)cc(C(=O)NNc3cnnn3C)c12	816771433	MGMVZAMKRACLBR-UHFFFAOYSA-N	313.321	1.294	50	20	DDGD	
O=C(NN=C1COCCOC1)c1cc(-c2ccccc2)on1	814790193	JPFCIJUBAZIHIM-UHFFFAOYSA-N	301.302	1.474	50	20	DDGD	
CC(C)CO[C@@H](C)C(=O)NNc1nc(-c2cccnc2)no1	728075090	VNCWBDCIKVHWOR-JTQLQIEISA-N	305.338	1.636	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1nn(C)c(C)c1Cl	817440816	WLXKBFWKDRYGEK-UHFFFAOYSA-N	320.780	1.694	50	20	DDGD	
CC[C@@H](CC(C)C)C(=O)NNC(=O)CNC(=O)c1cccnc1	826993116	BNSCJRDGWGKBKQ-LBPRGKRZSA-N	320.393	1.031	50	20	DDGD	
CCN(CCC(F)(F)F)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	827306556	IMIWHBOUDANOMQ-DTWKUNHWSA-N	311.304	1.427	50	20	DDGD	
CCN(CCO)NC(=O)CCc1cc2ccccc2nc1O	823869438	JLCIVATXPGNUDK-UHFFFAOYSA-N	303.362	1.218	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cc(C(=O)OC(C)(C)C)ccn1	824026934	CFMNJHZIRBYJHE-UHFFFAOYSA-N	322.365	1.846	50	20	DDGD	
C[C@@H]1Sc2ccc(C(=O)NN(C)[C@H](C)CO)cc2NC1=O	823988393	RMZFCGPBFGISFB-BDAKNGLRSA-N	309.391	1.077	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1nccn1CC(F)(F)F	727684028	TXKWSRUWJSKSKA-UHFFFAOYSA-N	319.331	1.627	50	20	DDGD	
CCN(C[C@@H](O)C(F)(F)F)C(=O)/C(C#N)=C/c1cnn(C)c1	491103703	LOYBXVUEUPJOAT-LLMHMKPQSA-N	316.283	1.099	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1nccnc1Sc1ccccc1	823935013	MGYXWWXKZZVABM-NSHDSACASA-N	318.402	1.585	50	20	DDGD	
CC(C)(C)OCCCNC(=O)NNc1cncc(Cl)n1	822022326	DIASFXMWBXBJMQ-UHFFFAOYSA-N	301.778	1.961	50	20	DDGD	
CCN(CCO)NC(=O)C1(c2ccc(OC)c(OC)c2)CCC1	823874265	PIXHPUTUAKFOQS-UHFFFAOYSA-N	322.405	1.471	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NN=c1sc2ccccc2n1C	821703504	SSIFYHPPNBSZDJ-UHFFFAOYSA-N	315.402	1.836	50	20	DDGD	
O=C(/C=C\[C@H]1CCOC1)NNC(=O)c1ccc(Cl)cc1F	493836790	NOSHLRRWUPTUOV-LVXRCVOFSA-N	312.728	1.833	50	20	DDGD	
COC/C(C)=C\C(=O)NNC(=S)NCCc1cccs1	820165227	SBGPAOGGMSIVJD-NTMALXAHSA-N	313.448	1.379	50	20	DDGD	
CCN(CCO)NC(=O)CSc1ccc(C(F)(F)F)cn1	823838216	MSSANVZXHCKUBB-UHFFFAOYSA-N	323.340	1.538	50	20	DDGD	
CC[C@@H](Cc1ccccc1)N(C)CC(=O)NNC(=O)C(C)C	827893446	DYWGDQWLEYZNSG-HNNXBMFYSA-N	305.422	1.743	50	20	DDGD	
C=C(C)CNC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	495569561	CJXKWEBTIATWPP-UHFFFAOYSA-N	314.386	1.198	50	20	DDGD	
CC(C)[C@@H](C(=O)NN(C)C(N)=O)[C@H](C)NC(=O)OC(C)(C)C	497083386	MQHMGBBNFNRKBP-VHSXEESVSA-N	316.402	1.214	50	20	DDGD	
CC(C)C[C@H](C(=O)NN(C)C(N)=O)N1Cc2ccccc2C1=O	907188825	WFZRROZMWUYCTK-CYBMUJFWSA-N	318.377	1.099	50	20	DDGD	
O=C(COc1ccccc1C(F)(F)F)N1CC[C@@H](B(O)O)C1	585078388	YKWXUNJOMZJMPM-SECBINFHSA-N	317.072	1.160	50	20	DDGD	
C[C@@H]1C[C@H]1[C@H](NC(=O)c1cccc(B(O)O)c1)c1ccccc1	584951431	NTTDJSRVBFCDAT-CSMYWGQOSA-N	309.174	1.494	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCC1Cc2ccccc2C1	826030961	YLHBHYKVXKADEW-NHYWBVRUSA-N	317.389	1.157	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)ccc1C(=O)NNC(=O)c1ccccc1	826249555	IODGRXXHUHDTOC-UHFFFAOYSA-N	322.328	1.250	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1cc([C@@H]2CCCOC2)nn1C	490906672	DVZXVFBZVRREBH-JPQYHBGPSA-N	304.350	1.697	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NNC(=O)c1nc2ccccc2s1	828829558	FWJFODDTMFHJIH-SCZZXKLOSA-N	305.359	1.482	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)/C=C\[C@@H]2CCOC2)c1	493675836	RPOWIWXPOWUZDF-ZHRWSRJISA-N	318.377	1.816	50	20	DDGD	
CCS[C@@H]1CCCC[C@H]1NC(=O)c1cccc(B(O)O)c1	584961447	VMWOVJHQPPTLFU-ZIAGYGMSSA-N	307.224	1.161	50	20	DDGD	
Cn1nc(C2CC2)cc1C(=O)NNCC(F)(F)C(F)(F)F	827488387	PYEZRAZYUAOFIL-UHFFFAOYSA-N	312.242	1.730	50	20	DDGD	
CN(NC(=O)C(C)(C)S(=O)(=O)C1CC1)C(=O)OC(C)(C)C	496818748	KLXRGWIZHNDUJG-UHFFFAOYSA-N	320.411	1.240	50	20	DDGD	
COCCCOc1cccc(C(=O)NN(C)C[C@@H](C)O)c1C	822557981	PGYCTMRONNPGTR-GFCCVEGCSA-N	310.394	1.368	50	20	DDGD	
OB(O)c1cccc(CN[C@H]2CCOC3(CCCCC3)C2)c1	585031095	QHLQLMMAWYMZMB-INIZCTEOSA-N	303.211	1.338	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NNc2ncccc2F)cc(C#N)n1C	491162938	UQVODXPNYOLJLU-WUXMJOGZSA-N	324.319	1.790	50	20	DDGD	
COC(=O)[C@@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(C)(C)C	825984906	QQLZIUFLECNGBR-IGEMTJHASA-N	304.350	1.031	50	20	DDGD	
COC(=O)NCCNC(=O)NNc1c(C)cccc1Cl	496161046	YHXTVVRMIAWXPH-UHFFFAOYSA-N	300.746	1.631	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCCCN1CCCCC1=O	491245716	WXIMVAVSTRVQKC-UHFFFAOYSA-N	314.386	1.128	50	20	DDGD	
Cn1nc2c(c1C(=O)NNc1cc(C#N)cc(Cl)n1)CCC2	907190656	LNTMDCJUJJMVNA-UHFFFAOYSA-N	316.752	1.586	50	20	DDGD	
O=C(C[C@H]1CCc2ccccc2C1)NNC(=O)NCC1CC1	732553225	MBDNGVVKJUVORR-ZDUSSCGKSA-N	301.390	1.922	50	20	DDGD	
COCCN(CCC(=O)O)C(=O)[C@@H](Br)C(C)(C)C	908957573	OQPVJXKHWZSBQX-SNVBAGLBSA-N	324.215	1.746	50	20	DDGD	
N#C/C(=C/c1ccc(O)c(C(=O)O)c1)C(=O)N=c1cc[nH]cc1	490977819	UUONTGNXBMCEAL-XFFZJAGNSA-N	309.281	1.453	50	20	DDGD	
OB(O)c1ccc(CNc2cccc(OC[C@@H]3CCCO3)c2)o1	585013184	OISCTUFCHSNYFF-HNNXBMFYSA-N	317.150	1.129	50	20	DDGD	
CC(C)c1cccc(O[C@@H](C)C(=O)N2CC[C@@H](B(O)O)C2)c1	585068964	JUUUGYYZVRUBIY-GXTWGEPZSA-N	305.183	1.653	50	20	DDGD	
Cc1cccc(OCC(=O)NN=CCCc2cnn(C)c2)c1	834922620	JTJHGZWUFFSLOB-UHFFFAOYSA-N	300.362	1.842	50	20	DDGD	
CCCNC(=O)NNC(=O)C[S@](=O)c1ccc(Cl)cc1	900392883	HDQUHTXEYLXCGW-FQEVSTJZSA-N	317.798	1.188	50	20	DDGD	
COc1nc2sccn2c1C=NNC(=O)[C@H]1CCCCO1	834988448	JXBIWKGSCPGWHF-SNVBAGLBSA-N	308.363	1.424	50	20	DDGD	
Cc1ccc(C2=NO[C@@H](C(=O)NNC(=O)C(C)(C)C)C2)cc1	900221221	LNQYDQPGXYOQBG-CYBMUJFWSA-N	303.362	1.682	50	20	DDGD	
C[C@H]1CCC[C@@]1(C)C(=O)OCC(=O)NNC(=O)c1ccccc1	837939032	DHXALCPQTHBIPI-YVEFUNNKSA-N	318.373	1.817	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1c(Cl)c(C)nn1C	901418675	NHYXVYOUTYYVIT-DHZHZOJOSA-N	310.785	1.832	50	20	DDGD	
C[C@]1(CNS(=O)(=O)CBr)CC1(Cl)Cl	832142550	VCTJDKUSFTUYTL-RXMQYKEDSA-N	311.028	1.842	50	20	DDGD	
CC(C)C[C@@H](NC(=O)O)C(=O)NNc1nc2ccccc2[nH]1	833479351	LNPXGLDTLPDNTD-LLVKDONJSA-N	305.338	1.688	50	20	DDGD	
CCn1nc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1C1CC1	831533962	CWQSMEJUYNBRSG-GXSJLCMTSA-N	321.381	1.358	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)Nc2ccccc2)c2c1CCCC2	831933013	QDPMWRICLNKTKP-UHFFFAOYSA-N	313.361	1.765	50	20	DDGD	
Cc1c(C(=O)N2CC[C@@H](B(O)O)C2)cccc1-c1ccccn1	585063636	DPXZSUPMYPFHGM-CYBMUJFWSA-N	310.162	1.746	50	20	DDGD	
COc1cccc([C@@H]2C[C@H]2NC(=O)NNc2ccc(C)nn2)c1	836636921	LSQCBDGMOQTXIE-UONOGXRCSA-N	313.361	1.976	50	20	DDGD	
Cc1cnc(C=NNC(=O)CCCNC(=O)OC(C)(C)C)o1	834967510	HKOSPXVLQURGJX-UHFFFAOYSA-N	310.354	1.738	50	20	DDGD	
OB(O)c1ccccc1CN[C@H]1CCOc2ccc(F)cc21	585037004	QQTQZFHVOCFNJY-HNNXBMFYSA-N	301.126	1.119	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	837312002	HEZNCVDCTQEHCW-UHTWSYAYSA-N	304.321	1.131	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)O[C@@H]2CCN(C)C2=O)cc1	734884217	RKYBZIGDILBIIG-BRADTZPFSA-N	300.314	1.376	50	20	DDGD	
CCCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1nc[nH]n1	839770193	SMMBUXFAXYHHPT-UHFFFAOYSA-N	322.350	1.972	50	20	DDGD	
C[C@]1(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)C[C@@H]1Br	912058337	JBBPDXWMLKXNQB-MNXVOIDGSA-N	310.191	1.934	50	20	DDGD	
Cc1noc(C)c1C=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1	916366393	URJKTEAEWJBYKZ-WOPDTQHZSA-N	322.409	1.487	50	20	DDGD	
O=C(CNC(=O)C1CC1)NNc1ncccc1C(F)(F)F	740098082	SSVRPXZAUHIUHV-UHFFFAOYSA-N	302.256	1.070	50	20	DDGD	
COc1ccccc1C[C@H](C)N(C)CC(=O)NNC(=O)C1CC1	744413915	UTSCTZJGYAQVHF-LBPRGKRZSA-N	319.405	1.115	50	20	DDGD	
CCc1c(C(=O)NNC(=O)CCOc2ccccc2)cnn1C	747177588	LBUZFTIMDJOAOI-UHFFFAOYSA-N	316.361	1.213	50	20	DDGD	
C[C@H](NS(=O)(=O)CC(C)(C)CCl)c1nccc(N)n1	918737061	AUFICGFRZQRVPD-QMMMGPOBSA-N	306.819	1.304	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@@H]1CCc2ccccc2C1	844380340	RYKXIAXCNOUYNE-MRXNPFEDSA-N	309.369	1.577	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2C[C@@](C)(OC)C2(C)C)n1	746770399	CIIRMGHXGNKHNR-MEBBXXQBSA-N	323.397	1.623	50	20	DDGD	
C[C@@H](COCC1CC1)NC(=O)NNC(=O)Cc1ccccc1F	845581461	ZCGWJPZCKACLMB-NSHDSACASA-N	323.368	1.514	50	20	DDGD	
Cc1c(C(=O)NNc2ccnc(N(C)C)n2)cnn1C(C)(C)C	740112498	LIGNHEQHVJRVCS-UHFFFAOYSA-N	317.397	1.559	50	20	DDGD	
O=C(CCn1cncn1)NNc1ccc(Cl)cc1[N+](=O)[O-]	918594732	BBCNJVFGHVFGPG-UHFFFAOYSA-N	310.701	1.373	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2ccc(C(N)=O)cc2)c(C)c1	915952646	TZNWEDGPVVNNER-UHFFFAOYSA-N	324.384	1.965	50	20	DDGD	
Cc1ccc2[nH]c(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)cc2c1	843975906	UPVILZWDEZLLIL-ZYHUDNBSSA-N	301.346	1.662	50	20	DDGD	
Nc1ccc(C(=O)NN=C2CCN(c3cnccn3)CC2)cc1	915934898	GJRQZRNZMCXLSZ-UHFFFAOYSA-N	310.361	1.445	50	20	DDGD	
COCCn1cc(C=NNC(=O)CNc2ccccc2)cn1	743421836	IKHUIGRAPHFDNM-UHFFFAOYSA-N	301.350	1.092	50	20	DDGD	
NC[C@H]1CC[C@@H](NC(=O)NNc2cc(F)c(F)cc2F)C1	842012439	ZGBLJYUZFNDSCF-JGVFFNPUSA-N	302.300	1.857	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)N[C@H]1CCCN2CCCC[C@H]12	847444582	IQYYDDJEQXJCNL-QWHCGFSZSA-N	310.442	1.770	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@H](CC(C)C)OC)c1	842225256	HMUNKANTYJGCAA-AWEZNQCLSA-N	323.393	1.316	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H](C)C(F)(F)F)cc1OC	742471754	HQYCDICVKNTIQJ-SSDOTTSWSA-N	320.267	1.663	50	20	DDGD	
CC[C@H](OC1CCCCC1)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843653202	MQDFEHZKOMCHJT-XBFCOCLRSA-N	312.410	1.687	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NC[C@H]2CCCCO2)cc1	844923744	HUBPCGFETWDYHL-CQSZACIVSA-N	321.377	1.597	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)c1ccccn1	741659506	IOHVXFVVCNYRGJ-WDEREUQCSA-N	317.295	1.925	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1cccc(OC(F)(F)F)c1	841027326	OKYXKPXAJRKODW-UHFFFAOYSA-N	320.271	1.477	50	20	DDGD	
CC(C)CN(Cc1cnn(C)c1)S(=O)(=O)CBr	841530024	CJSVLZWITCQPKP-UHFFFAOYSA-N	324.244	1.560	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@H]1CCCN1C(=O)C(F)(F)F	848084430	PCJFHHDOTDDOOC-ZCFIWIBFSA-N	321.126	1.802	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)c2c[nH]cc2C)o1	746397227	PXORFYVNNAHVDQ-UHFFFAOYSA-N	318.377	1.833	50	20	DDGD	
C[C@H](Oc1ccc(C=NNC(=O)[C@H]2CCO[C@@H]2C)cc1)C(=O)O	842560762	NHZGUZPJQZZVNA-SUNKGSAMSA-N	320.345	1.414	50	20	DDGD	
COc1ccc(NNC(=O)CS(=O)(=O)C2CCCC2)cc1	746882344	BAFWSIZTTXDDJX-UHFFFAOYSA-N	312.391	1.496	50	20	DDGD	
CCCC[C@@H](NC(N)=O)C(=O)NNc1cc(Cl)nc(C)n1	841470799	GFXXVFRMWCWHPU-MRVPVSSYSA-N	314.777	1.109	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(C2CCCCC2)CC1	923344062	ZGCIOXBIQKYGSV-NSHDSACASA-N	310.394	1.836	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C[C@H]2CCCC[C@@H]2O)cc1	846375614	GWOQHRNVRAHQBW-HIFRSBDPSA-N	320.389	1.786	50	20	DDGD	
CC(C)NC1(CO)CCN(C[C@H](C)CBr)CC1	846940445	SPKDPWRUUXRYBJ-GFCCVEGCSA-N	307.276	1.842	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)CCC2(C)CC2)nc2ccccc21	929268317	OLBIGLYQFVVNBQ-UHFFFAOYSA-N	314.389	1.844	50	20	DDGD	
CO[C@@]1(C=NNC(=O)Cc2c[nH]c3ccccc23)CCOC1	841612078	FFNXJWSJQUMVJX-MRXNPFEDSA-N	301.346	1.618	50	20	DDGD	
N#Cc1ccc(NNC(=O)CCCn2cncn2)cc1Cl	753296861	FOYRDZWRIHGDNF-UHFFFAOYSA-N	304.741	1.727	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ncc(Br)cn1	929794069	WMSGQBMBDGKJGZ-UHFFFAOYSA-N	301.144	1.046	50	20	DDGD	
C[C@]1(CN2C(=O)[C@@H]3[C@H]4CC[C@H](C4)N3C2=O)C[C@@H]1Br	925006473	WZKAXEHADNDYHF-LTLNDHLXSA-N	313.195	1.975	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1cccc(NS(C)(=O)=O)c1	853000753	HCAGAGCIMXTZEX-XYOKQWHBSA-N	324.358	1.155	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)NCCOCCN(C)C	922145508	XHYBGDBCQREQOX-UHFFFAOYSA-N	314.817	1.853	50	20	DDGD	
CC(C)C[C@@H](C)OCCC(=O)NNc1ccnc(N(C)C)n1	755817099	AYYDFEYACLJBTP-GFCCVEGCSA-N	309.414	1.827	50	20	DDGD	
O=C(CO)NNC(=O)Nc1cccc(COc2ccccc2)c1	756152959	WJRDWGVYEWXFMY-UHFFFAOYSA-N	315.329	1.411	50	20	DDGD	
CS(=O)(=O)CCCC(=O)NNc1cc(F)cc(Cl)c1	855618316	ATZRGFGDRGZFLY-UHFFFAOYSA-N	308.762	1.747	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)N[C@H]2C=CCC2)cc1	852510739	CXMGKUBYVHPTPM-ZDUSSCGKSA-N	303.362	1.677	50	20	DDGD	
Cc1cc(C)c(C(=O)NNc2cc(Cl)nc(N)n2)c(O)n1	753681382	FGDHEJDIGDGZMM-UHFFFAOYSA-N	308.729	1.187	50	20	DDGD	
CCOc1ccc(CNC(=O)NNC(=O)c2ccc[nH]2)cc1	920343294	RRCUUAIKSCQBEV-UHFFFAOYSA-N	302.334	1.558	50	20	DDGD	
CC(C)CC(CC(C)C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1	858189092	DYTUBEBVKMYVSS-GFCCVEGCSA-N	312.414	1.056	50	20	DDGD	
O=C(NN=CCCC1CCOCC1)[C@@H]1CN2CCC[C@@H]2CO1	853389363	FXBKPVDZCGKTMC-CABCVRRESA-N	309.410	1.158	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)c2cccc(F)n2)[C@@H](n2cncn2)C1	853445402	ZVFGYWIUJQNYAR-MFKMUULPSA-N	316.340	1.959	50	20	DDGD	
COC1(C(=O)NNC(=O)c2c(C)nc3ccccn23)CCCC1	754173662	IGQDGNBOASDUJH-UHFFFAOYSA-N	316.361	1.363	50	20	DDGD	
CC(=NNC(=O)[C@H](C)Oc1ccccc1F)c1nccn1C	755552676	PNXGRRPRTHOCJA-NSHDSACASA-N	304.325	1.867	50	20	DDGD	
CC(C)COC[C@@H](NCC(=O)NNC(=O)C1CC1)c1ccco1	754305577	URKZKXJNNJQUOB-CYBMUJFWSA-N	323.393	1.140	50	20	DDGD	
O=C(NCCOCC1CCCC1)NNc1ncc(Cl)cn1	856914691	VYIHYCMRZGSPAF-UHFFFAOYSA-N	313.789	1.963	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)NC[C@@H](C)OC	852536138	DRHDMEVSQFLWRE-MRVPVSSYSA-N	315.757	1.328	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1cccc2c1OCCO2	756150554	UWKFACRFDGUCOB-UHFFFAOYSA-N	305.334	1.801	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)CCc1ccc(OC)cc1	755238088	OQXJLSINDHHVNA-GFCCVEGCSA-N	308.378	1.448	50	20	DDGD	
CCC(F)(F)C(=O)NNC(=O)COc1ccc(C)c(C)c1	854191506	KVTSNRMDKPZIEX-UHFFFAOYSA-N	300.305	1.875	50	20	DDGD	
C[C@@H](CO)CCCNC(=O)NNc1ccc([N+](=O)[O-])cc1F	853916018	IUZHKOPREAWNMR-SECBINFHSA-N	314.317	1.769	50	20	DDGD	
CCNC(=O)NNC(=O)c1cccc(OC[C@@H]2CCCO2)c1	920858554	GAIUXJUCJVDZGV-ZDUSSCGKSA-N	307.350	1.208	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc(F)c(F)c1F	853311658	YGOQPFISBLZFTR-UHFFFAOYSA-N	315.295	1.859	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cnc([C@@H](C)O)s1	857495733	BACHWJNLWDCYJU-MRVPVSSYSA-N	307.379	1.867	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1C[C@H]1OC(C)(C)C	854510309	NNSHIGDEMFDRAJ-TZMCWYRMSA-N	320.389	1.589	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	755434310	OEQUUKGCRIMXGQ-FZMZJTMJSA-N	318.377	1.474	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H]1CCCN(C(C)=O)C1	751167940	BGTQJPXMWNMXJI-LLVKDONJSA-N	322.317	1.767	50	20	DDGD	
C[C@@]1(CNC(=O)C(F)(F)C2(O)CCC2)C[C@H]1Br	857394022	OJVBQAXSDJMMNQ-APPZFPTMSA-N	312.154	1.826	50	20	DDGD	
Cc1ncccc1C(=O)NNC(=S)NCCc1cccs1	753017179	SAWJRTDXZFDBGV-UHFFFAOYSA-N	320.443	1.803	50	20	DDGD	
CC(Cc1ccc(Cl)c(C(F)(F)F)c1)=NNC(=O)C(N)=O	853260546	YIYSQMUMVXIVRX-UHFFFAOYSA-N	321.686	1.879	50	20	DDGD	
COCCCNC(=O)NN=C1C(=O)Nc2c(C)ccc(F)c21	750935874	IRLGWUOLIPBPDH-UHFFFAOYSA-N	308.313	1.126	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cnc([C@@H](C)O)s1)C1CC1	855097817	YIJVUAGXGBRXAC-NKWVEPMBSA-N	314.436	1.104	50	20	DDGD	
Cc1[nH]c2ccc(F)cc2c1C=NNC(=O)[C@H]1CCC(=O)N1	863147921	PBTIXZHXSITYPR-CYBMUJFWSA-N	302.309	1.344	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)CCCCO)cc2C1	864517617	IMDGVRCAQUXBCA-SNVBAGLBSA-N	310.419	1.797	50	20	DDGD	
CC(C)OCC(=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	765615282	FJHAQSRVVXDQDQ-UHFFFAOYSA-N	320.324	1.402	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)c1cccnc1O	765248024	DLAPCKWIFWBVLJ-UHFFFAOYSA-N	319.342	1.046	50	20	DDGD	
N#CCc1ccccc1C(=O)NNC(=O)OCC(F)(F)F	869281481	GSICQSMJXBJHSX-UHFFFAOYSA-N	301.224	1.686	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)c1cocn1	762360977	IYNFUZLCCJBLLN-UHFFFAOYSA-N	307.331	1.237	50	20	DDGD	
CCCCNC(=O)NNC(=O)C[C@@H]1C(=O)Nc2c(F)cccc21	930718323	PCLPATWFBHTXQA-JTQLQIEISA-N	322.340	1.382	50	20	DDGD	
CCO[C@H](CC(=O)NNC(=O)CNc1ccccc1)C(C)C	760994792	GLUZSTJZLGUABR-CQSZACIVSA-N	307.394	1.697	50	20	DDGD	
Cc1cc(NC(=O)NNCC(F)(F)C(F)(F)F)n(C)n1	860288574	QTZYBPPCCPHLGN-UHFFFAOYSA-N	301.219	1.552	50	20	DDGD	
CCc1noc(C)c1C(C)=NNC(=O)C(=O)Nc1ccccn1	769820631	KNYTVOAUXRYMEH-UHFFFAOYSA-N	315.333	1.419	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)NNCC(F)(F)C(F)(F)F	863094130	DVZZFADZHGNPAR-QMMMGPOBSA-N	317.258	1.206	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2ccccc2C(C)C)n[nH]1	869018152	GCOFUYATDMDTDG-UHFFFAOYSA-N	300.362	1.845	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CCc2ccc(F)cc2)n[nH]1	869013071	KUYKHNNZGVTSBT-UHFFFAOYSA-N	304.325	1.180	50	20	DDGD	
CN(NC(=O)c1cc(Cl)cc(Br)c1F)C(N)=O	768157360	OWFMYYVERZWERS-UHFFFAOYSA-N	324.537	1.897	50	20	DDGD	
COC[C@@H](NC(=O)[C@H](Br)C(C)(C)C)C(=O)OC	768391500	WRFKHWJRPKTDJY-SFYZADRCSA-N	310.188	1.100	50	20	DDGD	
O=C(NNC(=O)c1ccc2ccccc2c1)C(=O)Nc1ccon1	764064279	HIQTWFIDMKDRCR-UHFFFAOYSA-N	324.296	1.228	50	20	DDGD	
C=C[C@](C)(CCOC)C(=O)NNC(=S)NCCSC	1116707445	XRVNHESSTYZTIE-GFCCVEGCSA-N	305.469	1.074	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCC(C)CC1)c1cnn(C)c1C	778540665	RTVZUZVYIAWTHX-ZDUSSCGKSA-N	319.453	1.937	50	20	DDGD	
Cc1c(NNC(=O)c2nn(C)cc2[N+](=O)[O-])cccc1[N+](=O)[O-]	772921166	JFQHJOSAAAFESK-UHFFFAOYSA-N	320.265	1.302	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CSc1ccccc1	771934422	RQEATBYEGJEYNQ-JTQLQIEISA-N	310.375	1.268	50	20	DDGD	
CC1(C)CC(NC(=O)NNC(=O)C(=O)NC2CC2)CC(C)(C)C1	777748522	FSIDOJBHMXXNBC-UHFFFAOYSA-N	324.425	1.200	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1cccc(Cl)c1C	877913943	RHVBADGEQGWIMO-UHFFFAOYSA-N	315.757	1.464	50	20	DDGD	
Cc1c(NC(=O)C(=O)NNC(=O)C(C)C)cnn1C1CCCC1	773525871	UQCJNWSTFUHBNQ-UHFFFAOYSA-N	321.381	1.049	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)C(C)(C)c2ccccc2)nn1C	1116525934	JOFDOGZHXKCFRM-UHFFFAOYSA-N	314.389	1.721	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccnc(OC2CCCCC2)c1	771592606	SNRQMEHNELKSDZ-UHFFFAOYSA-N	303.362	1.964	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@@H]1COc2ccc(F)cc2C1	1116402724	NJLDIRPQZGSYDG-QMMMGPOBSA-N	320.242	1.477	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)Cc2c[nH]c3ccccc23)CCO1	776336147	GAVXXOIEVQLMIL-VXGBXAGGSA-N	315.373	1.673	50	20	DDGD	
CCn1cc(-c2n[nH]cc2C(=O)NNc2ccnc(F)c2)cn1	779069569	VBUQJNAOMSLDRH-UHFFFAOYSA-N	315.312	1.584	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)/C=C(\C)c1ccc(F)cc1	772048445	NMRADXFSHLRLFY-USKTWTLRSA-N	322.336	1.718	50	20	DDGD	
CC(C)Oc1cc(NC(=O)C(=O)NNc2ccccn2)ccn1	778697126	JWENRTNPNKDTBV-UHFFFAOYSA-N	315.333	1.346	50	20	DDGD	
CCN(CC)c1ccc(C=NNC(=O)COCCOC)cc1	872402984	RTVFLKJNEREWQE-UHFFFAOYSA-N	307.394	1.646	50	20	DDGD	
CCO[C@@H](CC(=O)NNc1nncc(N)c1Cl)C(C)C	1116298401	PCZVTSPYSPXRNA-VIFPVBQESA-N	301.778	1.607	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc(Cl)c1F	772190248	LPOZGRGJHUNJCJ-ZETCQYMHSA-N	316.716	1.582	50	20	DDGD	
O=C(NNc1ncccn1)C(=O)Nc1ccc(OC(F)F)cc1	773722138	WLQUVRIUOVEQQN-UHFFFAOYSA-N	323.259	1.160	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc2nc(C)c(C)nc2c1	887139440	PCKSBAHSQPXCDY-UHFFFAOYSA-N	310.357	1.811	50	20	DDGD	
C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NNc1ccc(C#N)cn1	888559579	OXQULLHJZHOWRA-GXFFZTMASA-N	300.366	1.062	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCCCNc1ncccn1	787268790	YNTPCGYUVIQIPV-SDNWHVSQSA-N	323.356	1.708	50	20	DDGD	
C[C@@H](Cc1ccc(C#N)cc1)C(=O)NNC(=O)C1CCOCC1	883071900	QPQJCUKIWHNTER-LBPRGKRZSA-N	315.373	1.311	50	20	DDGD	
C/C=C(/CC)C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	789232362	MELWEQSAROFRHR-QCDXTXTGSA-N	304.346	1.656	50	20	DDGD	
CCC(=NNC(=O)c1cc(OC)cc(OC)c1)c1cn[nH]c1	788968660	XFMVQFAYWUSSCR-UHFFFAOYSA-N	302.334	1.971	50	20	DDGD	
CC(C)Oc1cccc(C(=O)NNC(=O)C2CCOCC2)n1	883066674	GSSRNACWQWZYPX-UHFFFAOYSA-N	307.350	1.056	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc2oc(=O)oc2c1	884401576	UTFAICGENTXELT-UHFFFAOYSA-N	305.334	1.568	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2	780710123	YCUCVWVWGILFBW-UHFFFAOYSA-N	320.393	1.784	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)CCc1ccccc1)[C@H]1CCCOC1	780042186	BPJIXRKNBDXCCS-HIFRSBDPSA-N	319.405	1.765	50	20	DDGD	
CC(C)(O)C(=O)NN=C1COc2cc(Cl)cc(Cl)c21	785465200	CZGDVVGZUYTFAU-UHFFFAOYSA-N	303.145	1.977	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=S)NC(C)(C)C)N1CCCCC1	899991847	BUAWDBISYBGJJO-GFCCVEGCSA-N	314.499	1.791	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21)c1cccc2ncccc12	780485700	OWQILIMCQJVFEL-BPLDGKMQSA-N	311.341	1.421	50	20	DDGD	
CN1CCC[C@H]1c1cc(C(=O)NNc2ncc(F)cc2F)n[nH]1	897942524	IXKPGINHVOKHHU-LBPRGKRZSA-N	322.319	1.607	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccccc1-n1cccn1	899991860	CGRUPBWDUVVNKZ-UHFFFAOYSA-N	317.418	1.780	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H](NC(C)C)c1ccc(OC)cc1	895512764	SHRNRZGSQPZBPK-CYBMUJFWSA-N	309.366	1.512	50	20	DDGD	
CC(C)c1nnc(CCC(=O)NNc2nc3ccccn3n2)o1	791259590	XDELFRDHOOVOMN-UHFFFAOYSA-N	315.337	1.312	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1ccc2n[nH]cc2c1	794915676	PHPSNOIFZMUUQD-LLVKDONJSA-N	304.350	1.455	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H](O)C1)c1cc2ccccc2cc1O	895524600	PRLWMDAPCOXKTL-TXEJJXNPSA-N	300.314	1.077	50	20	DDGD	
CN(C(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)c1nn[nH]n1	892954525	KUAGLXDSHWBFPT-NYNCVSEMSA-N	300.160	1.116	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cnc(O)c2ccccc12	899996206	QEEBWCTYQODOMW-UHFFFAOYSA-N	318.402	1.848	50	20	DDGD	
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)CCI	190891362	PAPKBXYTWGAEBA-HTQZYQBOSA-N	319.208	1.175	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2O)n1	794081750	RTRGDZAWQJVJRD-UHFFFAOYSA-N	316.273	1.079	50	20	DDGD	
CN(Cc1nc[nH]n1)S(=O)(=O)c1ccc(CCCl)cc1	80536522	MFCCGVDEUJSRLY-UHFFFAOYSA-N	314.798	1.407	50	20	DDGD	
CC(C)Cc1ncc(NC(=O)C(=O)NNc2ccccn2)cn1	792350624	LFVZQVRPYNKFHZ-UHFFFAOYSA-N	314.349	1.152	50	20	DDGD	
Cc1ccc(C(=O)NNC(=S)N[C@H](C)C2CC2)cc1C#N	799420675	HJFDBLIGHKILDX-SNVBAGLBSA-N	302.403	1.774	50	20	DDGD	
CC(C)(C)OCCCC(=O)NNC(=O)COc1ccccc1O	796256912	XUBCMOIMXCIVLD-UHFFFAOYSA-N	324.377	1.514	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccccc1NC(=O)OC	798305541	UJHDMAWGCWVCME-UHFFFAOYSA-N	308.363	1.160	50	20	DDGD	
Nc1cnnc(NNC(=O)Cc2ccc3c(c2)CCC3)c1Cl	1319425297	QMVLRJFWZMJBQO-UHFFFAOYSA-N	317.780	1.887	50	20	DDGD	
C[C@H]1CC[C@@H](CNC(=O)NNC(=O)c2ccccc2Cl)O1	1324699975	GRIASJOOKWHEJN-UWVGGRQHSA-N	311.769	1.852	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@@H]1CCO[C@@]2(CCSC2)C1	1324087250	KTVGCFUYVGUWSD-YGRLFVJLSA-N	324.406	1.013	50	20	DDGD	
CC(=NNC(=O)c1n[nH]c2c1CCCC2)c1cnc(C)nc1C	1323135019	DZXDFHKDOMVCCW-UHFFFAOYSA-N	312.377	1.849	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cnc2c(F)cccc2c1	1324884638	YKDKAARDOSGXBU-UHFFFAOYSA-N	306.366	1.891	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)NCC1CC=CC1	1329731603	MYPGCXICRIMPRX-UHFFFAOYSA-N	303.362	1.752	50	20	DDGD	
Cc1conc1NC(=O)NNC(=O)c1n[nH]c2c1CCCC2	1320428642	AMHQNYZUXOCDFC-UHFFFAOYSA-N	304.310	1.051	50	20	DDGD	
COc1cc(C=NNC(=O)c2n[nH]c3c2CCCC3)sn1	1326213878	OVDXPDXVNWCEJX-UHFFFAOYSA-N	305.363	1.518	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)Cc1c[nH]c2cnccc12	1324201524	IBOJXRLZISBIQO-UHFFFAOYSA-N	322.368	1.886	50	20	DDGD	
Cc1nnc(CN(C)C(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)o1	1329385876	ZGOPLHPDXZBSKF-ACAGNQJTSA-N	324.344	1.462	50	20	DDGD	
CC(CCc1ccc(O[C@@H](C)C(=O)O)cc1)=NNC(=O)CCO	1324924600	AMLMDGNRLTYKFS-LBPRGKRZSA-N	322.361	1.346	50	20	DDGD	
O=C(CN1CCC(CO)CC1)NNc1c(F)cc(F)cc1F	1337382449	LDLIULUOCGKSOJ-UHFFFAOYSA-N	317.311	1.251	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H]2CCC[C@@H]2OC)cc1	1336008809	CRCNDFKZSMREOY-KGLIPLIRSA-N	306.362	1.660	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N[C@@H]2CC=CCC2)C[C@H]1Br	1331076665	GIYWWVOIXVBHCM-GIPNMCIBSA-N	315.211	1.501	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)Cc1ccc(Cl)cc1	1336022379	XBAXGXQYKHDLHU-CHWSQXEVSA-N	310.781	1.845	50	20	DDGD	
COc1ccc(NNC(=O)C23CCC(OC)(CC2)CC3=O)nc1	1263781474	FNTBZJZVEGMCIL-UHFFFAOYSA-N	319.361	1.452	50	20	DDGD	
C[C@H](OC1CCCCC1)C(=O)NNC(=O)c1cccc(F)n1	1347878233	LRPDMWXFYSXLHG-JTQLQIEISA-N	309.341	1.720	50	20	DDGD	
Cc1cccnc1[C@@H](C)NC(=O)NNC(=O)C1CCOCC1	1342206679	UKLZBKFJGLOUMP-LLVKDONJSA-N	306.366	1.208	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@@H]2C[C@@H](C)O[C@@H]2C)cc1	1348482922	NUPGKXGXFWZNLV-WZRBSPASSA-N	321.377	1.453	50	20	DDGD	
CO[C@H]1CC[C@H](NC(=O)NNc2ccc([N+](=O)[O-])cc2F)C1	1350516665	QZIFDSBFVOYKSQ-WPRPVWTQSA-N	312.301	1.928	50	20	DDGD	
CC(C)(C)[C@@H](C(=O)O)C(=O)NNC(=O)CCc1ccccc1O	1602851839	DERQXQHFKXHLBA-CYBMUJFWSA-N	322.361	1.219	50	20	DDGD	
O=C(NNC(=O)N1C[C@@H](C(=O)O)[C@H](C2CC2)C1)c1ccccc1	1601556194	ROJIGSKUMADDEC-QWHCGFSZSA-N	317.345	1.084	50	20	DDGD	
Cc1ccc(NNC(=O)COCc2ccnn2C)cc1C(=O)O	1600461489	NDUIZQNZUBQNSK-UHFFFAOYSA-N	318.333	1.087	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2ccc(C(=O)O)n2C)c1	1600648798	XUXAMZJLFYGBLF-UHFFFAOYSA-N	307.331	1.168	50	20	DDGD	
CC(C)(C(=O)O)C(=O)NNc1nnc(-c2ccccn2)s1	1602836672	DGOJCPQPXWCVHM-UHFFFAOYSA-N	307.335	1.154	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)Nc2ccc(C(=O)O)cn2)n1	1600705775	WALWPDRJGANAAE-UHFFFAOYSA-N	322.712	1.680	50	20	DDGD	
C[C@H]1CCCN(C(=O)C(=O)NNc2ccc(CC(=O)O)cc2)C1	1604734186	MGLAVHRUAGNQKF-NSHDSACASA-N	319.361	1.015	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2cn(CC3CC3)nn2)cc1	1602128372	JCVLTJHIKNRHKK-UHFFFAOYSA-N	315.333	1.072	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCN1[C@H](C(=O)O)CCS1(=O)=O	1603529341	LAOMRWZVDOILGH-JTQLQIEISA-N	323.487	1.497	50	20	DDGD	
Cn1c(NNC(=O)c2cc(C(=O)O)ccn2)nc2ccccc21	1600921751	JUZGCXFAIHZNKO-UHFFFAOYSA-N	311.301	1.423	50	20	DDGD	
C[C@@H](C(=O)NNc1ccccc1C(=O)O)N(C)CC(F)(F)F	1603173332	HWADIKPZFYQPSX-QMMMGPOBSA-N	319.283	1.711	50	20	DDGD	
CCC(COC)=NNC(=O)[C@@H]1CCCO[C@@H]1c1nccn1C	1549312481	WGWOCQNHSHSYRH-OLZOCXBDSA-N	308.382	1.416	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C(=O)NN=Cc1ccco1	1549309116	LABZVBWOXTYBLU-QWHCGFSZSA-N	302.334	1.631	50	20	DDGD	
COc1ccc(/C=C\C(=O)O)cc1OS(=O)(=O)CCl	1610328390	LMDGTBRGWOZOOK-HYXAFXHYSA-N	306.723	1.698	50	20	DDGD	
O=C(O)[C@@H]1[C@@H]2CCC[C@H]2CN1CCCI	1610735542	HZGHFXIOUNCBHZ-AEJSXWLSSA-N	323.174	1.997	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cn[nH]c1)C2	1800071445	KNHCUHJLIZFQHC-YVECIDJPSA-N	324.812	1.679	50	20	DDGD	
CNC(=O)[C@@H]1CN(C[C@@H]2[C@H](C)[C@H]2Cl)C[C@H]1c1cnn(C)c1	1550632267	MQVWNBIIQVSCLW-JWZAGAIZSA-N	310.829	1.055	50	20	DDGD	
CC1(C)CN[C@@H]1C(=O)NNc1cc(C#N)ccc1Br	1576463037	XBRYGIGQQBRLNT-LLVKDONJSA-N	323.194	1.762	50	20	DDGD	
CC#CC(=O)NNc1cc(-c2nn[nH]n2)ccc1Br	1573359440	SUCJMVCMHKJKMC-UHFFFAOYSA-N	321.138	1.096	50	20	DDGD	
CNc1cccc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)c1	1578764034	GONOFWPPOBGLKE-UHFFFAOYSA-N	313.361	1.405	50	20	DDGD	
CCCN(NC(=O)[C@]1(C(=O)O)CCCO1)C(=O)OC(C)(C)C	1589673567	LLSPGCGYWGTCNG-AWEZNQCLSA-N	316.354	1.299	50	20	DDGD	
C=C[C@H](NNC(=O)c1ccc(OCCC(C)C)cc1)C(=O)O	1588701767	ZCBITWIONKGKCO-AWEZNQCLSA-N	306.362	1.985	50	20	DDGD	
C#CCCCC(=O)NN=C(C)c1ccc(-c2nn[nH]n2)cc1F	1588340881	JVRGEVPSSWMWCR-UHFFFAOYSA-N	314.324	1.650	50	20	DDGD	
N[C@@H](C(=O)NNC(=O)c1nc2ccccc2s1)C1CCC1	1580115410	VSRXWIUILIYVKT-LLVKDONJSA-N	304.375	1.185	50	20	DDGD	
C#C[C@H](NC(=O)NNc1ccc(C(=O)O)c(F)c1)[C@H]1CCCO1	1588374504	YIAAHUFHPKMYKQ-QWHCGFSZSA-N	321.308	1.331	50	20	DDGD	
CC(C)(C)OCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](F)Cl	1848028133	OCLSDLFYSSNSPW-JBLDHEPKSA-N	320.792	1.538	50	20	DDGD	
Cc1nn(C)c2nc(Cl)cc(NNC(=O)C3(C(=O)O)CC3)c12	1594483182	CDOZZHUUTGYZLP-UHFFFAOYSA-N	323.740	1.238	50	20	DDGD	
Cc1nocc1C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1592463863	KCELICJBKUKAHH-UHFFFAOYSA-N	318.297	1.031	50	20	DDGD	
O=C(NC[C@H](C(=O)O)C1CCC1)NNc1ncc(Cl)cn1	1594736627	UVSCZZHTTRAXCP-VIFPVBQESA-N	313.745	1.257	50	20	DDGD	
C[S@](=O)c1ccc(C(=O)NNc2ncccc2C(=O)O)cc1	1594177604	AFZJAVPOUMMSCX-QFIPXVFZSA-N	319.342	1.274	50	20	DDGD	
CO[C@H]1CC[C@H](NC(=O)NNc2ccc(F)c(C(=O)O)c2)C1	1599102449	MOIZYJCRFTWMLF-WPRPVWTQSA-N	311.313	1.718	50	20	DDGD	
C[C@@H](Cn1cccn1)NC(=O)NNc1cccc(C(=O)O)c1	1592925826	IGSYNYTUDCSPNN-JTQLQIEISA-N	303.322	1.296	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccc(C(=O)O)cc1OC	1776115524	BGWXSBNEEKMURH-GHXNOFRVSA-N	305.286	1.490	50	20	DDGD	
C[C@H](NC(=O)/C(C#N)=C/c1c(C(=O)O)cnn1C)c1ccccc1	1776117699	FZYJZGFUAIQRFC-ZWSXMNCCSA-N	324.340	1.903	50	20	DDGD	
CC(=NNC(=O)c1cn[nH]c1)c1cc(C(=O)O)c(C)nc1C	1776093955	UCGDDSMROLWPBO-UHFFFAOYSA-N	301.306	1.274	50	20	DDGD	
CN(C)CCn1ccc(NC(=O)NNc2c(F)cccc2F)n1	161093913	NPNICQQXTCRTAP-UHFFFAOYSA-N	324.335	1.872	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc(Cl)c([N+](=O)[O-])c1	205639492	MTSURANPCUGJNJ-POHAHGRESA-N	309.709	1.918	50	20	DDGD	
CC[C@H](OC1CCCCC1)C(=O)NNC(=O)c1cc(C)n[nH]1	151198462	BNACYZFGJOMBHL-ZDUSSCGKSA-N	308.382	1.607	50	20	DDGD	
Cn1c(=O)[nH]c2ccc(C(=O)NNC(=O)CC(C)(C)C)cc21	153117812	QYEREDIRYXJKSJ-UHFFFAOYSA-N	304.350	1.064	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cc(C(C)=O)cn2C)cc1	153928075	LISAJHDGYIBSPQ-UHFFFAOYSA-N	313.357	1.865	50	20	DDGD	
CN(C)c1cccc(CNC(=O)NNC(=O)c2ccccc2)c1	155306907	IHICBVYPLPDNBQ-UHFFFAOYSA-N	312.373	1.897	50	20	DDGD	
COc1ccnc(NNC(=O)CNc2c(C)cccc2C)n1	155417723	XBMOKLLZTYAYSS-UHFFFAOYSA-N	301.350	1.657	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)COc1ccccc1C#N	154961114	KGUSAFBVDWBSID-UHFFFAOYSA-N	314.345	1.071	50	20	DDGD	
CSc1nsc(NC(=O)NNC(=O)OC(C)(C)C)n1	272600812	PQGNHHFRNXCOHS-UHFFFAOYSA-N	305.385	1.821	50	20	DDGD	
O=C(COC(=O)CC1CCCC1)NNC(=O)c1ccccc1	3500247	VJRZHABXNMCGTK-UHFFFAOYSA-N	304.346	1.571	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNC(=O)COc1ccc(Cl)cc1	7697854	JEFAEZPDMBAHQX-CSKARUKUSA-N	323.736	1.310	50	20	DDGD	
CCN1CCN(CCC(=O)NNc2ccccc2[N+](=O)[O-])CC1	101634091	IVABSYQIEUZTHN-UHFFFAOYSA-N	321.381	1.066	50	20	DDGD	
CC(C)C1(CNC(=O)NNC(=O)c2ccc(C#N)cc2)CC1	176028398	LGUUSSKBIACTLU-UHFFFAOYSA-N	300.362	1.938	50	20	DDGD	
CCOC(=O)CNC(=O)/C(C#N)=C/c1ccc(OCC)cc1	58517595	BCTIOJYXCYFZLQ-UKTHLTGXSA-N	302.330	1.672	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNC(=O)c2c[nH]nc2C)ccc1C	109860037	ODPYAIQXVABXKQ-UHFFFAOYSA-N	315.333	1.060	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2C[C@H]2C2CC2)cc1	176882718	GUAPYSDXWNTPIS-LSDHHAIUSA-N	302.374	1.821	50	20	DDGD	
CC(=O)c1cccc(O[C@H](C)C(=O)NNc2cnccn2)c1	114878332	RPNDZTJIMQCFCJ-LLVKDONJSA-N	300.318	1.590	50	20	DDGD	
CC[C@@H](C(=O)NNc1cc(F)c(F)cc1F)N1CCCC1=O	173620210	XXVKIDSMYXOXPZ-LBPRGKRZSA-N	315.295	1.948	50	20	DDGD	
COc1cc(Cl)c(Cl)cc1C(=O)NNC(=O)CN(C)C	175258755	BVJHTKJJYKQZNW-UHFFFAOYSA-N	320.176	1.325	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1	103198116	REKAWLUIFYFKNE-GFCCVEGCSA-N	309.410	1.219	50	20	DDGD	
COc1cc(C)cc(C(=O)NNc2nc(C)cc(C)n2)c1O	106456069	QXEYRMBFDJXXOT-UHFFFAOYSA-N	302.334	1.873	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)/C=C/c1ccccc1C#N)C1CC1	175534530	AFRUGNSODZJXKD-ANYFNZRUSA-N	314.414	1.865	50	20	DDGD	
CCc1nc([C@H](C)NC(=O)NNC(=O)c2cnn(C)c2)cs1	117966924	FZQDTVWYOIHDAN-QMMMGPOBSA-N	322.394	1.144	50	20	DDGD	
CCCCOCC(=O)NNC(=O)COc1cc(C)ccc1C	118303990	AVUNQXQYJMMTKC-UHFFFAOYSA-N	308.378	1.646	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNC(=O)c1ccc2ccccc2n1	127618042	UJIQLNNVCBRMHA-UHFFFAOYSA-N	323.356	1.660	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)N(C)CCO2	186350771	MYCKEVLSKYGNFJ-SNVBAGLBSA-N	306.366	1.714	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccccc1-n1cccn1	120529257	PDGORZPVLXNDNK-UHFFFAOYSA-N	309.329	1.286	50	20	DDGD	
CO[C@@H](C)CCC(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	184146957	SEUWNVQZMHECOE-VIFPVBQESA-N	322.390	1.714	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc(F)cc2C#N)[nH]n1	186430249	PYUYBPAGHJLDJJ-UHFFFAOYSA-N	302.269	1.195	50	20	DDGD	
Cc1ccc(-n2ncc(C(=O)NN(C)C(N)=O)c2C(C)C)cc1	181087210	RAYUCJVUTJIXJT-UHFFFAOYSA-N	315.377	1.959	50	20	DDGD	
NNC(=O)CCCCc1ccc(I)cc1	121174118	AXJNOZLOXHMUCI-UHFFFAOYSA-N	318.158	1.994	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccnc(F)c2)cc1S(C)(=O)=O	182414575	LIJUUIVGXWOZCG-UHFFFAOYSA-N	323.349	1.690	50	20	DDGD	
CCS(=O)(=O)N1CCN(/C(=C/C#N)c2ccccc2)CC1	78687907	DECCBWKUJFVPKL-OVCLIPMQSA-N	305.403	1.518	50	20	DDGD	
Cc1ccc(-n2cc(C(=O)NNc3ncc(F)cn3)nn2)cc1	122691410	MLAUXXWOQDWVEP-UHFFFAOYSA-N	313.296	1.262	50	20	DDGD	
COCCN1C[C@@H](C(=O)NNc2c(C)cccc2F)CC1=O	184316574	HARSQKLZXBCUNY-NSHDSACASA-N	309.341	1.072	50	20	DDGD	
CCc1nn(C)c(CC)c1CC(=O)NNC(=O)c1ccc(C)o1	189137918	DTNDJOCGJYUFAM-UHFFFAOYSA-N	318.377	1.450	50	20	DDGD	
CCN(CCCO)S(=O)(=O)c1ccc(CCCl)cc1	158923536	BBTUPQLIXADVNS-UHFFFAOYSA-N	305.827	1.861	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1ccc(-c2cc[nH]n2)cc1	185270109	UDROQAVHUUWINT-UHFFFAOYSA-N	322.328	1.938	50	20	DDGD	
CCN1CCN(c2cccc(NC(=O)NNC(C)=O)c2)CC1	184917545	HAJLEFUAKUCZAB-UHFFFAOYSA-N	305.382	1.001	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)c2cnn(C)c2)c(C)c1	184473538	YHTRDTOVLBHWKY-UHFFFAOYSA-N	317.349	1.594	50	20	DDGD	
O=C(NNc1ccncc1)Nc1cnn(CC(F)(F)F)c1	183082173	UDTAXYQGGKUFIC-UHFFFAOYSA-N	300.244	1.989	50	20	DDGD	
CCOC(=O)NCC(=O)NNc1nc2ccccc2cc1C	181912094	IZJTVZYIYQUNFZ-UHFFFAOYSA-N	302.334	1.732	50	20	DDGD	
COc1cccc(NNC(=O)c2cc(-n3cccn3)ccn2)n1	180712671	BQALGLSLZZXIIZ-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
CC(=O)c1cc(C(=O)NNc2ccccc2[N+](=O)[O-])n(C)c1	42064996	STCWFFIPOXLURT-UHFFFAOYSA-N	302.290	1.893	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccccc1F)NC1CCCC1	49419588	SJLUGKZDLLSFKH-UHFFFAOYSA-N	301.343	1.261	50	20	DDGD	
C[C@H](C(=O)NNc1nc(-c2ccc(Cl)cc2)no1)[C@@H](C)N	192052002	GGHDOECCHQISMR-JGVFFNPUSA-N	309.757	1.816	50	20	DDGD	
Cc1cc(C)cc(OCCC(=O)NNC(=O)[C@@H]2CCCO2)c1	42968770	GPRLJRKSFSHHNM-AWEZNQCLSA-N	306.362	1.399	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)C(=O)c1ccc2c(c1)CCC2	194192315	MDFIHBVZRKCFSQ-UHFFFAOYSA-N	308.337	1.819	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1csc([C@H]2CCCO2)n1	132319800	UQOZMTGZHKPWOS-SNVBAGLBSA-N	321.362	1.101	50	20	DDGD	
CCOC[C@@H](NC(=O)NNc1cncc(Cl)n1)C(C)C	191771464	VCQDUTSDTISOLW-SECBINFHSA-N	301.778	1.817	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cc1ccc(F)c(F)c1)C1CC1	88280853	LYUKFMVUUKMZSM-QMMMGPOBSA-N	313.373	1.801	50	20	DDGD	
CCN1CCCC[C@@H]1CNC(=O)NNC(=O)c1ccc(C)o1	84158452	YFKGMBQTLXQVSI-GFCCVEGCSA-N	308.382	1.406	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@H]2CCn3ccnc3C2)c1	93546553	JQWHGONHFBXMBQ-JTQLQIEISA-N	316.752	1.509	50	20	DDGD	
CC(C)OC(=O)[C@H](C)CNC(=O)NNc1cccc([N+](=O)[O-])c1	266851287	ZMHCJZQZFCMBLS-SNVBAGLBSA-N	324.337	1.809	50	20	DDGD	
CC(C(=O)NNc1nc(O)c2cnn(C)c2n1)=C1CCCC1	269288578	DIBWIEYQOIKTCG-UHFFFAOYSA-N	302.338	1.403	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CC[S@](=O)[C@@H](C)[C@H]1C	265655822	YNZUKIJLAXAAMV-DMDKVIGKSA-N	323.418	1.191	50	20	DDGD	
Cn1cc(CCCNC(=O)NNC(=O)c2ccccc2F)cn1	263772677	UACRFJLKDJHGRO-UHFFFAOYSA-N	319.340	1.136	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNc1nc(-c2cccnc2)no1	264250693	QRRKGAUMYQBKPH-LBPRGKRZSA-N	316.365	1.449	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)/C=C/CN(C)C)c1C	264588368	AALYQZITPVUWRR-RNVIBTMRSA-N	319.405	1.336	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCCO3)O1	268333308	OAEUPCOHDMFZQO-DGCLKSJQSA-N	320.345	1.176	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)s1	268127050	OMPGGQJDRSNRJN-SKDRFNHKSA-N	322.434	1.483	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCC(=O)NC2)cc1	263826704	PUVLEMUBWJXDRB-SSUFTNFISA-N	313.357	1.387	50	20	DDGD	
CC1CC(NC(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)C1	267998909	IGRATIVTCVJDGH-YZRBJQDESA-N	309.341	1.722	50	20	DDGD	
COc1ccc(CCNC(=O)NNc2cccnn2)cc1OC	265484572	SEDKTSDVCXLJLH-UHFFFAOYSA-N	317.349	1.363	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccnc1SC(F)F	271475227	ZYNYYYSELYZOFV-UHFFFAOYSA-N	304.322	1.702	50	20	DDGD	
CC(C)OCCC(=O)NNC(=O)[C@H]1CCO[C@@H]1c1ccccc1	276813214	GGBUZBABIUIFLH-GOEBONIOSA-N	320.389	1.727	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(CC)cc1	278212565	IBRAWHWNCJSMAS-HUUCEWRRSA-N	302.374	1.991	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(c2ccc(F)cn2)CC1	367739334	FTECYLUTONAUCE-VAWYXSNFSA-N	304.325	1.313	50	20	DDGD	
CN1C(=O)C[C@@H](NC=C(C#N)C#N)[C@@H]1c1ccc(F)c(F)c1	270638473	XHJIRCSXKOGCBQ-HIFRSBDPSA-N	302.284	1.757	50	20	DDGD	
CC(=O)Nc1ccc(C)c(C(=O)NNC(=O)NC2CCCC2)c1	275412635	BAZVINRWEXQMML-UHFFFAOYSA-N	318.377	1.840	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)C3(C)CCCCCC3)nc21	272916136	NCCPEMTZNDYSKX-UHFFFAOYSA-N	318.381	1.873	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CNC(=O)CCC(C)C)c1	272829532	OKMJNFCYJHLQEO-UHFFFAOYSA-N	321.377	1.469	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1nccs1	375950794	YVGZIAJSTZAAHL-UHFFFAOYSA-N	304.360	1.814	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@](C)(O)[C@H](C)c2ccccc2)O1	293865585	IQGFBDPRUXBMGI-IFOZYUSPSA-N	320.389	1.256	50	20	DDGD	
O=C(NNc1cccc(F)n1)N[C@@H]1CCN(CC(F)(F)F)C1	805184643	UWNDEPIIHZCBAY-MRVPVSSYSA-N	321.278	1.483	50	20	DDGD	
N#C[C@@]1(C(=O)NNC(=O)NCC(F)(F)F)CC12CCCC2	296209427	NHZXFQNLNNIMII-LLVKDONJSA-N	304.272	1.353	50	20	DDGD	
Cn1nnc2c1C[C@H](C(=O)NNc1cc(Cl)ccn1)CC2	290522778	UMMUOBYVSPNWAK-MRVPVSSYSA-N	306.757	1.112	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NC2CCSCC2)c1	299637914	PMSDVXJMLVAYKS-UHFFFAOYSA-N	323.418	1.600	50	20	DDGD	
COCCn1cc(CNC(=O)NNc2cccc(C#N)c2)cn1	800734399	PAPFCKSHBDTBAO-UHFFFAOYSA-N	314.349	1.227	50	20	DDGD	
CNc1nc(C(=O)NNc2nccnc2C2CCC2)cs1	807779699	PNLQDBUQCATAGI-UHFFFAOYSA-N	304.379	1.999	50	20	DDGD	
CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)[C@@H]1CCCCO1	295678962	XUKCCPVKRUHARY-GJZGRUSLSA-N	320.389	1.869	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1	805375558	PRKPKHQQCCONAZ-GHMZBOCLSA-N	320.349	1.638	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2CCCN2C)c1C	299531621	NIJNCJJZKQKFLV-KGLIPLIRSA-N	319.405	1.312	50	20	DDGD	
Cc1nnc(NNC(=O)c2ccc3nccc(C)c3c2)nc1O	806365313	RSITULUOZMZPRS-UHFFFAOYSA-N	310.317	1.499	50	20	DDGD	
COCCN(C)NC(=O)c1cnc(OCc2ccccc2)cn1	296975927	DZDWNLSBXQALSF-UHFFFAOYSA-N	316.361	1.279	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1cncc(-n2ccnn2)c1	802570849	XSCITCCPUCXCKT-UHFFFAOYSA-N	320.316	1.296	50	20	DDGD	
O=C(NNC(=O)c1ccsc1)Nc1ccc2c(c1)OCO2	802095517	IDEWQTNRMUAREB-UHFFFAOYSA-N	305.315	1.943	50	20	DDGD	
Cc1[nH]c(C=NNC(=O)Cc2ccc(F)cc2)cc1C(=O)O	800807942	IXTKFNRQJMGBKL-UHFFFAOYSA-N	303.293	1.853	50	20	DDGD	
COc1ccc(C#N)cc1NC(=O)NNC(=O)[C@H]1CCCCO1	296558525	UIFGPMFPQSUPQD-CYBMUJFWSA-N	318.333	1.289	50	20	DDGD	
Cc1ccccc1-n1cc(/C=C(/C#N)S(=O)(=O)N(C)C)nn1	806573184	XPDFNLIIRNLHEU-JYRVWZFOSA-N	317.374	1.332	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(O)nc2ccccc12	295268286	BPPOLJBXQPHERC-ZDUSSCGKSA-N	315.329	1.271	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)COc1ccc(C)cc1)C1CC1	290965284	NWGQQCXLMAXSRP-INIZCTEOSA-N	306.362	1.336	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@@]1(O)CCc2ccccc2C1	803153029	QOCHIUYMGLHLQZ-OAHLLOKOSA-N	318.764	1.493	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc3cc(F)ccc3[nH]2)O1	293993958	UNSCPEAYTHSGHF-SDBXPKJASA-N	305.309	1.636	50	20	DDGD	
Cn1nccc1[C@H]1CCCN(C(=O)NNC(=O)C(C)(C)C)C1	801016084	PQZFKJJHMPJHTF-NSHDSACASA-N	307.398	1.386	50	20	DDGD	
O=C(NN=C1CC(c2ccccc2)C1)N[C@H]1CCS(=O)(=O)C1	814815622	FBDRVUBHZZVAAM-ABLWVSNPSA-N	321.402	1.406	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)c1cnccn1)O[C@H](C)C2	818285594	FWXPDIQSLOTMCX-SNVBAGLBSA-N	312.329	1.573	50	20	DDGD	
CC(=NNC(=O)C(N)=O)c1csc(-c2ccccc2F)n1	812221941	IPOLASITDUSDDU-UHFFFAOYSA-N	306.322	1.275	50	20	DDGD	
O=C(Cc1ccn(-c2ccc(F)cc2)n1)NNC(=O)CC1CC1	819118554	XJKAXSZUGUOAHB-UHFFFAOYSA-N	316.336	1.501	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNC(=O)c2ccnnc2)cc1	817693639	SOQOJWWNIFQKRF-UHFFFAOYSA-N	314.345	1.224	50	20	DDGD	
O=C(COc1cc(F)cc(F)c1)NNC(=O)CC(F)(F)F	810179288	MGSDVTKHPMQQEP-UHFFFAOYSA-N	312.194	1.443	50	20	DDGD	
CO[C@H]1CCC[C@@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	814359039	XKOUWYQHBPQJOY-YPMHNXCESA-N	321.333	1.561	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)c1cc(F)c[nH]1	815890082	WKFFPMBDMFQNBK-UHFFFAOYSA-N	309.322	1.413	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(C#N)c2)c2n[nH]cc2c1	728870937	KWPNEDZGURXJPN-UHFFFAOYSA-N	319.324	1.818	50	20	DDGD	
C[C@H]1SCC[C@H]1NC(=O)NNC(=O)Cc1ccc(F)cc1	827645170	WCLCSCGSLHXTBT-BXKDBHETSA-N	311.382	1.593	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc2c(=O)[nH]ccc2c1	824693392	FRXXPVBDPGWPLN-UHFFFAOYSA-N	302.334	1.727	50	20	DDGD	
COC(=O)c1ccc(/C=C(/C#N)C(=O)N=c2cc[nH]cc2)n1C	821039978	UZAQQLJSQBNGJR-LUAWRHEFSA-N	310.313	1.174	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@](C)(C#N)CC(=O)O)cc1	820479923	JQNXRGICSGYABU-HNNXBMFYSA-N	303.318	1.015	50	20	DDGD	
Cc1nccn1CCCC(=O)NNC(=O)c1cccc(C#N)c1	728871150	PJSLFQKNWLKOOO-UHFFFAOYSA-N	311.345	1.305	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Cc1ccccc1O[C@H]1CCOC1	825130324	UIHSEFUNCZBXHS-ZDUSSCGKSA-N	320.389	1.590	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc(Cl)cc2F)CO1	827612246	LDJMICYXIDBOAT-CBAPKCEASA-N	315.732	1.601	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNc1nc(-c2ccccc2)no1	728080344	FFJYSWHOXPDSBV-VIFPVBQESA-N	303.322	1.094	50	20	DDGD	
CCCONC(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1	828268528	JHGONLHKXJOTRX-UHFFFAOYSA-N	323.357	1.255	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCCOC(F)(F)F	491176877	SIDLDJPTRDJXSA-JXMROGBWSA-N	300.236	1.952	50	20	DDGD	
O=C(NCCNS(=O)(=O)CCl)c1ccccc1Cl	829962732	QMOZWXOYLTZTIX-UHFFFAOYSA-N	311.190	1.186	50	20	DDGD	
Cc1ccc(Cl)c(O[C@@H](C)C(=O)NN(C)C[C@H](C)O)c1	821217979	SLTPFEMAOZTIQY-QWRGUYRKSA-N	300.786	1.760	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCC(C)(C)N2CCCCC2)cn1	491173179	BJCFKJVOALVJPJ-OQLLNIDSSA-N	315.421	1.708	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cn(CCCC#N)c2ccccc12	823927847	HLXZRUDULOIYRI-ZDUSSCGKSA-N	314.389	1.902	50	20	DDGD	
Cc1ccc(CN(C)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	827314941	LRTSMZRUOYYKPL-GXTWGEPZSA-N	305.378	1.593	50	20	DDGD	
CCn1cccc(CNC(=O)/C(C#N)=C/c2ccc(O)cc2)c1=O	491012455	RIZZYEOBTIXXDQ-XNTDXEJSSA-N	323.352	1.797	50	20	DDGD	
OB(O)c1ccc(CNCC2(c3c(F)cccc3F)CC2)cc1	585034226	KEADVEFSCJNXKO-UHFFFAOYSA-N	317.144	1.466	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CC[C@@H](c3ccccc3)C2)c(F)c1	585035894	ZKYXYPHBZNGIBQ-PBHICJAKSA-N	313.181	1.931	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cccc(C(=O)O)c1	820689590	VTIUCFBDQSUTTC-UHFFFAOYSA-N	314.297	1.928	50	20	DDGD	
CCCCNC(=O)NNC(=O)/C=C\c1ccc2c(c1)OCO2	491277707	JXGWMMVXKCDOKT-ALCCZGGFSA-N	305.334	1.559	50	20	DDGD	
CCN(CCO)NC(=O)COc1ccc(Br)cc1	823834043	PLJALINDQAXPAO-UHFFFAOYSA-N	317.183	1.173	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc(-c2ncco2)cc1	495408628	SPMVEEJNSNNONH-UHFFFAOYSA-N	318.289	1.057	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=S)Nc1ccc(C(N)=O)cc1	728444807	DMRKEEBKQJSRFJ-UHFFFAOYSA-N	308.407	1.539	50	20	DDGD	
Cn1c(=NNC(=O)CC[C@@H]2CCNC2)sc2ccccc21	826619103	WKGMZRFEBYEYLJ-LLVKDONJSA-N	304.419	1.561	50	20	DDGD	
CO[C@H](c1ccccc1F)[C@@H](C)NCc1ccccc1B(O)O	585033049	WBRUPGATVHWDDG-PXAZEXFGSA-N	317.169	1.371	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1F	825638918	IRAHCZBIXHVMNI-CMPLNLGQSA-N	309.341	1.390	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cn(CC(C)C)nc1C(F)F	822800441	YLQSBVZZOSHWJJ-UHFFFAOYSA-N	317.340	1.831	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1ccccc1NS(C)(=O)=O	490755510	VXRXZWMTGXWJCW-KTKRTIGZSA-N	309.347	1.441	50	20	DDGD	
Cc1nc(C)c([C@H](C)NCc2ccc(B(O)O)cc2F)s1	585018440	LJAGJBOUSAEUSU-QMMMGPOBSA-N	308.187	1.430	50	20	DDGD	
O=C(NC[C@@H]1CCC[C@H]1C1CC1)c1cc(B(O)O)ccc1F	585001872	GKVIWKULEUZGCS-AAEUAGOBSA-N	305.158	1.062	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)C(C)(C)C1CCC1	497110162	FJFSNLMAPXWFLC-UHFFFAOYSA-N	313.398	1.485	50	20	DDGD	
O=C(N1CC[C@H](B(O)O)C1)C1(c2cccc(F)c2)CCCC1	585072461	NDYLENVFWBVOFN-ZDUSSCGKSA-N	305.158	1.713	50	20	DDGD	
Cc1ccc(-c2nc(C(=O)NN(C)[C@@H](C)CO)cs2)n1C	823939217	GYEBNAMQTHQVGG-JTQLQIEISA-N	308.407	1.414	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@H](C)c2nc[nH]n2)cc(C#N)n1C	490811412	FUTFRCOJNZHESD-DZRKTEMMSA-N	309.333	1.108	50	20	DDGD	
CC(C)NC(=O)Nc1cccc(C(=O)NN(C)[C@H](C)CO)c1	823971646	XQLSVMKJZUXJNG-LLVKDONJSA-N	308.382	1.174	50	20	DDGD	
N#CCN1CCC(CNC(=O)/C(C#N)=C/c2ccc(O)cc2)CC1	491162725	TZIDCKYQMYJZJQ-LFIBNONCSA-N	324.384	1.651	50	20	DDGD	
C[C@@H]1C[C@H](CCNC(=O)NNC(=O)OC(C)(C)C)CCO1	495301349	DDAGWASFJDKEBN-GHMZBOCLSA-N	301.387	1.931	50	20	DDGD	
C[C@@H]1CCC[C@@H]2CCCN(C(=O)c3cccc(B(O)O)c3)[C@H]12	584934643	ULSQTEDKLDCGGP-XJKCOSOUSA-N	301.195	1.407	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)CNC(=O)c2cccs2)C1(C)C	736431127	VHHVDGYPTBVYPT-GFCCVEGCSA-N	323.418	1.785	50	20	DDGD	
C[C@@H](C(=O)N1CC[C@H](B(O)O)C1)c1ccccc1C(F)(F)F	585067844	WBHVSPYRJVDMNI-ZJUUUORDSA-N	315.100	1.884	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H](C)N2C(=O)CCC2=O)c(Cl)c1	836938867	YQSOZBYSJLVUMB-SECBINFHSA-N	309.753	1.629	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCC(=O)OCc1ccc(Cl)cc1	490839538	DIYOMQDDEVPDDT-BENRWUELSA-N	322.748	1.943	50	20	DDGD	
C[C@@H](Cc1ccccc1F)C(=O)NNC(=O)c1ccccn1	737763090	GVJNJCRJJRZGBI-NSHDSACASA-N	301.321	1.861	50	20	DDGD	
CC(C)OC(=O)/C(C#N)=C\c1cnc2ccc(-c3nn[nH]n3)cn12	735892347	GJBJNZKFXKPTDC-WZUFQYTHSA-N	323.316	1.373	50	20	DDGD	
COC[C@H](OC)C(=O)NNc1ccc(Br)c(C)c1	830806590	PSJQXZDYDDKZSZ-NSHDSACASA-N	317.183	1.862	50	20	DDGD	
CCO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1ccc(C#N)cc1	836264097	FGBSVTGBPAASBD-ZIAGYGMSSA-N	316.361	1.460	50	20	DDGD	
OB(O)c1cccc(CNC[C@H]2CCCN(c3ccccc3)C2)c1	585039023	NZSFKKQNKCYLDK-QGZVFWFLSA-N	324.233	1.373	50	20	DDGD	
CC(=O)N[C@@H](CC(C)C)C(=O)NNc1cccc(C(=O)O)c1	833397858	NMLOGMSEOPEIIZ-ZDUSSCGKSA-N	307.350	1.379	50	20	DDGD	
CCC(C)(C)OCC(=O)NNC(=O)c1cc(OC)cc(OC)c1	837310365	JLMOVLRDHDTSPV-UHFFFAOYSA-N	324.377	1.670	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCCO[C@@H](c2ccccc2)C1	732200862	CBNGCQFOUKVTOQ-DZGCQCFKSA-N	319.405	1.396	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)[C@]2(C)C[C@H]2Br)[C@H]1OC	907386327	TXCJNNYMSIYJEX-PORUNHMFSA-N	306.200	1.469	50	20	DDGD	
COc1cccc([C@H](C)C(=O)NNC(=O)[C@@H]2CCCCO2)c1	833251255	UIPMXTIKOZDMBR-FZMZJTMJSA-N	306.362	1.515	50	20	DDGD	
COc1ccc([C@H](C)CCNCc2cccc(B(O)O)c2)cc1	585030160	XGTLUTLPPCYZJF-CQSZACIVSA-N	313.206	1.658	50	20	DDGD	
CC[C@H](OC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)OC(C)(C)C	837971383	MYPJUFMXXNYTST-OTAKNEKHSA-N	319.361	1.991	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)CCc1ccccc1)C1CC1	836488289	KSBLZPKJRBMCMC-CQSZACIVSA-N	305.378	1.375	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)C#CC2CC2)c1C	837310730	PRNGORLIBHYKMD-CYBMUJFWSA-N	300.358	1.632	50	20	DDGD	
C=CCOc1ccccc1C(=O)NNC(=O)CC(F)(F)F	918366528	RXBFNGKYYJDSFG-UHFFFAOYSA-N	302.252	1.965	50	20	DDGD	
CO[C@H]1C[C@@H](NC(=O)NNc2cccc(C(=O)O)c2)C1(C)C	833719686	SPTQNSCFECTPAF-NEPJUHHUSA-N	307.350	1.824	50	20	DDGD	
Cc1cn(C)nc1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	839470810	QSDRFKXPRGLQML-JTQLQIEISA-N	320.324	1.096	50	20	DDGD	
CNC(=O)NCC(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	912583118	UNRCYPHLQNDCNL-NSHDSACASA-N	315.490	1.538	50	20	DDGD	
CC(C)O[C@H]1C[C@@H](NC(=O)NNC(=O)Cc2ccccc2F)C1	838747383	LANGJVWFSAOAGS-BETUJISGSA-N	323.368	1.655	50	20	DDGD	
CO[C@H]1CCC[C@@H](C(=O)NNc2cc(O)nc3ncccc23)C1	913989785	QCRGAYBDKNYFAL-MNOVXSKESA-N	316.361	1.984	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C2=Cc3ccccc3OC2)n1	746630058	DOZSCDPCXDUZQF-UHFFFAOYSA-N	312.329	1.713	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccc(C(F)(F)F)cn1	747323313	UHXCHNONDQBKFF-UHFFFAOYSA-N	324.262	1.499	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1n[nH]c2cc(C(=O)O)ccc12	842560945	IFSCIUITFFRRFZ-SCZZXKLOSA-N	316.317	1.136	50	20	DDGD	
CCNC(=O)NNC(=O)c1cccc(CN2CCCCC2)c1	840287971	CCQXIBFXEAAYEF-UHFFFAOYSA-N	304.394	1.636	50	20	DDGD	
CCCN(Cc1ccccc1)C(=O)NNC(=O)c1ncccn1	841594738	ZLMBUROSPWMCMU-UHFFFAOYSA-N	313.361	1.743	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@H]1CCc2cncn2C1	844136152	BRKCIJOXELKGSO-JTQLQIEISA-N	301.306	1.497	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1cccc(Cl)c1Cl	841007460	NNXGDZWYVPYVSV-UHFFFAOYSA-N	305.165	1.885	50	20	DDGD	
CC(C)(C)C(=O)C(=O)NNc1ncc(Br)cn1	848321473	UWWBUICCDYIGEJ-UHFFFAOYSA-N	301.144	1.297	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CN1[C@@H](C)CC[C@H]1C	746240162	LPUYVHWEHCRFPF-TXEJJXNPSA-N	305.378	1.329	50	20	DDGD	
O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1O)Nc1cccnc1	743815223	WISYDSVYUXCPCA-UHFFFAOYSA-N	317.261	1.162	50	20	DDGD	
CCn1ccc(C(=O)NNC(=O)COc2cc(C)ccc2C)n1	843753173	MFFOUEBOEYCTRB-UHFFFAOYSA-N	316.361	1.360	50	20	DDGD	
O=C(CNc1ccccc1F)NN=Cc1cnc2cnccn12	746366769	QCRVMRPFTGRBCS-UHFFFAOYSA-N	312.308	1.431	50	20	DDGD	
CCS(=O)(=O)CCNC(=O)NNc1ccc(Cl)c(C)c1	916528929	DMPUPYFJHUMMJU-UHFFFAOYSA-N	319.814	1.709	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cnn1CCC(C)C	843661938	OUQJLPWLSKRXKE-OLZOCXBDSA-N	322.409	1.424	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1cccc(-n2ccnn2)c1	842562888	ZTYVUQVQYJTXTQ-DOMZBBRYSA-N	313.361	1.533	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNc1ccc(CC(=O)OC)cc1	845004399	SFUFANMYNHCGBU-LBPRGKRZSA-N	309.366	1.453	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1)c1ccc[nH]1	916372062	NLODNPIHMFYVQH-JHJVBQTASA-N	306.410	1.600	50	20	DDGD	
O=C(NCCCNC1CC1)NNc1cc(F)c(F)cc1F	841918835	CWECFCIHPHPLLW-UHFFFAOYSA-N	302.300	1.872	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccc(-n2ccnc2)cc1	918366852	WTQDZQABVPKWSE-UHFFFAOYSA-N	312.251	1.586	50	20	DDGD	
O=C(NNc1ncncc1Cl)N[C@@H]1CCN(CC(F)F)C1	841593569	BKZAAODDJYMMIG-SSDOTTSWSA-N	320.731	1.096	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1C2CC3CC(C2)CC1C3	843649943	XYSSILCOQDQWEO-QQMYWVELSA-N	306.406	1.631	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1coc(-c2ccccc2)n1	843651836	PEGCWILMKSBEIX-JQWIXIFHSA-N	315.329	1.528	50	20	DDGD	
C[C@H]1CN(Cc2ccccn2)CCC1=NNC(=O)c1ncccn1	841663853	ASACLPTXFYPESB-ZDUSSCGKSA-N	324.388	1.499	50	20	DDGD	
Cc1ccncc1C(=O)NNC(=O)c1cc(Br)c[nH]1	742036997	ROKWDJVYVYVAAJ-UHFFFAOYSA-N	323.150	1.555	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=C2CCN(C)[C@@H](C)C2)n1	741452867	INQYNYIQOJBGFQ-LBPRGKRZSA-N	321.450	1.772	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCc2c(Cl)cccc2C1	744404102	GXLWJKFDDUISCJ-UHFFFAOYSA-N	323.824	1.892	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNC(=O)NCc2ccc(Cl)cc2)CCN1C	843863623	QTOIXKQZTFAQMA-ZWNOBZJWSA-N	324.812	1.511	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)CCN2CCCCCC2)[C@H]1OC	841610133	FQDXXQPPGOGNQZ-GDBMZVCRSA-N	311.426	1.549	50	20	DDGD	
O=C(NC[C@H]1COCO1)NNc1ccccc1C(F)(F)F	923861537	ZWRJUWXEYKJWKV-QMMMGPOBSA-N	305.256	1.704	50	20	DDGD	
C[C@H](Oc1cccc(F)c1)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843646449	VTLAQPIWHDNXJD-NRUUGDAUSA-N	310.325	1.165	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc(-n2cccc2)c1	843649244	UCMGXPJMCSEXSH-SWLSCSKDSA-N	313.357	1.663	50	20	DDGD	
O=C(CCC[C@@H](O)c1ccccc1)NNC(=O)C1CCOCC1	923060287	QSHWLLFNICOXIW-OAHLLOKOSA-N	320.389	1.464	50	20	DDGD	
CSc1cccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)n1	855094411	AYURRGNFHWXGOJ-QMMMGPOBSA-N	310.448	1.711	50	20	DDGD	
C#CCNC(=S)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	758178898	AUZRNVJBUWYNLD-SECBINFHSA-N	307.444	1.615	50	20	DDGD	
CC(C)[C@H](CNC(=O)NC[C@@]1(C)C[C@H]1Br)C(=O)O	857101341	TZEROHVDWQGRAA-YGOYTEALSA-N	321.215	1.816	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)OCC(F)(F)F)c1cnccn1	856025921	FJUCYEHNNGMIRJ-QPJJXVBHSA-N	304.228	1.200	50	20	DDGD	
O=C(NN=C1CNC(=O)c2ccccc21)OCC(F)(F)F	853428641	OWNQYDSYDLVHKU-UHFFFAOYSA-N	301.224	1.423	50	20	DDGD	
CO[C@@H]1COCC[C@H]1CNC(=O)NNc1ccc(Cl)cn1	852369798	HODABIPBTKOHPP-GXSJLCMTSA-N	314.773	1.413	50	20	DDGD	
CNC(=S)N(C)NC(=O)C1(Cc2ccccc2)CCOCC1	854927824	QSUSWJSZNIYUHO-UHFFFAOYSA-N	321.446	1.493	50	20	DDGD	
O=C(CN1CCOCC1)OC[C@H](CBr)C1CC1	859627317	UOBWUCASPRZGKT-NSHDSACASA-N	306.200	1.283	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)c1	759322330	QCPVUDRVIJRZBC-SECBINFHSA-N	307.325	1.288	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cnn(C)c1C1CC1)C1CC1	855102312	JIUXPIMPKQJUFE-QMMMGPOBSA-N	307.423	1.205	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)C2CC2)ccc1NC(C)=O	753946381	NKJSROWQHHAJOR-UHFFFAOYSA-N	306.322	1.216	50	20	DDGD	
Cn1nnc2cc(/C=C(\C#N)C(=O)Nc3nccs3)ccc21	751033738	TWXDYEGFYNRNHL-UXBLZVDNSA-N	310.342	1.970	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCOc1ccc(Cl)c(F)c1	854929706	OWDXUGYCBHZGFH-UHFFFAOYSA-N	319.789	1.715	50	20	DDGD	
C[C@H]1COC[C@@H]1NC(=O)NNc1cccc(Br)n1	926020849	XFJGFQNGKUUWDN-YUMQZZPRSA-N	315.171	1.505	50	20	DDGD	
N#C/C=C/CN1C(=O)NC2(CCN(Cc3ccccc3)CC2)C1=O	857223880	UPPYBTKOTZUETD-SNAWJCMRSA-N	324.384	1.653	50	20	DDGD	
Cc1ccc2c(c1)CCC2=NNC(=O)[C@H](C)CN1CCOCC1	921255741	BJLWHICGEFGOKO-CQSZACIVSA-N	315.417	1.730	50	20	DDGD	
C[C@@H]1C[C@@H]1C=NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1	758367490	MNIOEDNECFUACI-ZYHUDNBSSA-N	309.391	1.309	50	20	DDGD	
C[C@@]1(CNC(=O)C2(O)CCSCC2)C[C@@H]1Br	857734732	UUWYHYNSFCHKTA-WPRPVWTQSA-N	308.241	1.534	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc2c(c1)C[C@@H](OC)C2	930797738	TUKFKSLZOLJUBP-HNNXBMFYSA-N	315.373	1.756	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COCc2ccccc2C)n[nH]1	857154696	INHSPPYQMUZADV-UHFFFAOYSA-N	302.334	1.004	50	20	DDGD	
CC(C)(C)OC(=O)[C@H](C(=O)NNC(=O)CC1CC1)C(C)(C)C	854667529	MFQJZGPLWFNQCA-LBPRGKRZSA-N	312.410	1.938	50	20	DDGD	
CCC1(C(=O)NNC(=O)COc2cc(C)cc(C)c2)COC1	755036166	QESAXZIHPHIGSQ-UHFFFAOYSA-N	306.362	1.256	50	20	DDGD	
O=C(NNC(=O)c1ccnn1C1CCCC1)c1cccc(F)n1	856423204	NSNVBJAZBMZOTJ-UHFFFAOYSA-N	317.324	1.607	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)NCC(C)(C)CC(C)C	753040722	KBMHIFVCROEIDA-LBPRGKRZSA-N	317.430	1.441	50	20	DDGD	
COC(=O)c1cc(C)cc(NC(=O)NNC(=O)C(C)(C)C)c1	933032771	QKGBWRFXAYFTHS-UHFFFAOYSA-N	307.350	1.980	50	20	DDGD	
O=C(CCC1(O)CCC1)NNC(=O)c1cccc2ncccc12	865202804	OJAMCSPSXCHKBN-UHFFFAOYSA-N	313.357	1.691	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CC1(F)F	868241811	ZIJIPURROSNLCB-NSHDSACASA-N	323.296	1.018	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1C	760134231	MGPYTOQLZKPFKF-FQNOHDAGSA-N	313.357	1.439	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cccc(OCC(F)F)n1	765333555	PQPPQRSOOFKZNE-UHFFFAOYSA-N	302.281	1.534	50	20	DDGD	
Cc1cn2ccnc(C(=O)NNCC(F)(F)C(F)(F)F)c2n1	863099833	MAZQAHIRFAKREC-UHFFFAOYSA-N	323.225	1.470	50	20	DDGD	
O=C(NNc1ccccc1)N[C@@H]1CCCC[C@H]1N1CCOCC1	764377783	ZIGXVWZATLXAPT-HZPDHXFCSA-N	318.421	1.956	50	20	DDGD	
COC(=O)c1cc(OC(=O)[C@H](OC)C(C)C)ccc1[N+](=O)[O-]	769938498	ZNJDMXBTDDLLTR-GFCCVEGCSA-N	311.290	1.958	50	20	DDGD	
CC[C@](C)(NC(=O)NNc1nccc(OC)n1)C(F)(F)F	933513838	AQDZUQBLHVRJNG-JTQLQIEISA-N	307.276	1.842	50	20	DDGD	
COC(=O)COCCNC(=O)[C@@H](Br)C(C)(C)C	862953348	MUYMZPVMDJZDMX-SECBINFHSA-N	310.188	1.102	50	20	DDGD	
COC[C@H](NC(=O)CCCC[C@H]1CCSS1)C(N)=O	760085350	WZTPRPGXUNGRPT-UWVGGRQHSA-N	306.453	1.317	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1cnc(C)s1	761255836	RJFQOWULCZZGTH-SNVBAGLBSA-N	310.423	1.260	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2CCCc3scnc32)n1	863071426	PCZCHNZCNKAQHR-UHFFFAOYSA-N	303.391	1.813	50	20	DDGD	
O=C(NN=C1CCSc2c(F)cccc21)C(=O)NC1CC1	767830529	IUCPSYFUDWKGMP-UHFFFAOYSA-N	307.350	1.420	50	20	DDGD	
COC(=O)c1coc(C(C)=NNC(=O)c2ccc(O)cc2)c1	766428059	BHWFZEMDJZLVCM-UHFFFAOYSA-N	302.286	1.926	50	20	DDGD	
O=C(c1ccc2c(c1)-c1ccccc1C2)N1CC[C@@H](B(O)O)C1	864233980	LQURJUDQDHLORT-OAHLLOKOSA-N	307.158	1.947	50	20	DDGD	
O=C(OCC1(CO)COC1)[C@@]12CC[C@@H](C[C@@H]1Br)C2	869461348	FIAAIUURFZYUSX-OUJBWJOFSA-N	319.195	1.492	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)c1C	861450527	ASPIAWOQQYXNBP-ZDUSSCGKSA-N	307.350	1.725	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1ccc(OCC(F)(F)F)cc1	1116196118	VTMCXSZAIXOYFH-UHFFFAOYSA-N	318.251	1.641	50	20	DDGD	
CNC(=O)[C@H](C)CN(C)C(=O)[C@@H](Br)C(C)(C)C	768222955	IGCUOPMCTMAHQY-RKDXNWHRSA-N	307.232	1.637	50	20	DDGD	
CC(F)(F)C1(C(=O)NNC(=O)c2ccc3c(c2)OCO3)CC1	1118800651	YFAORUMRFUWHEQ-UHFFFAOYSA-N	312.272	1.612	50	20	DDGD	
O=C(C[C@H]1CCCO1)NNC(=O)c1nc2ccccc2s1	874913623	PJKVQCPLZYIRIX-SECBINFHSA-N	305.359	1.626	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCN1C1CCCC1)c1ccccn1	763874908	KNIFPAOINWRKCC-OAHLLOKOSA-N	316.405	1.640	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C[C@@H]2CCCC(=O)N2)c1	873777765	ZNCUMIWADGAZRB-LBPRGKRZSA-N	320.418	1.371	50	20	DDGD	
Cc1ccc([C@H](O)CNC(=O)NNC(=O)C2CCCC2)cc1	770595571	HHVCBJZGFGERTG-CQSZACIVSA-N	305.378	1.549	50	20	DDGD	
C[C@]1(C(=O)NNc2ccccc2C(F)(F)F)CCNC1=O	873924495	BQAJMQVBFVVBEU-LBPRGKRZSA-N	301.268	1.675	50	20	DDGD	
CCCn1cc(C=NNC(=O)COc2ccc(F)cc2)nn1	872333108	ATOQWKNBKIBJOS-UHFFFAOYSA-N	305.313	1.356	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)NC1(C(F)(F)F)CCC1	879378527	MPLUFKBKIVLIOO-UHFFFAOYSA-N	304.272	1.454	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)OC[C@H](C)CBr	770400895	VLKYAEAEGQVNHF-KOLCDFICSA-N	306.200	1.962	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(O)c(C)c2)cc1	1116510609	VDFPQJLVEKGSAE-UHFFFAOYSA-N	300.314	1.784	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)NC1(C(F)(F)F)CCC1	879379897	FBVIBEQDJGGNIX-QMMMGPOBSA-N	309.288	1.371	50	20	DDGD	
CS[C@@H](C)CCC(=O)NNC(=O)COc1ccc(F)cc1	773185595	CXEDTFKXZSURIJ-JTQLQIEISA-N	314.382	1.884	50	20	DDGD	
CC[C@H](C)[C@H](C)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	772257900	TXXYCUJSABFPAS-SRVKXCTJSA-N	300.399	1.794	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2nccs2)c(OC)c1	770446429	RCGJBGROVVUGFR-UHFFFAOYSA-N	307.331	1.235	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2cccc(C(F)(F)F)c2)C1=O	773456376	VIOJFXMNLIPIEZ-SNVBAGLBSA-N	301.268	1.627	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@](C)(O)C(C)C)c1	770208355	IARFPKILBPMGJM-MRXNPFEDSA-N	308.378	1.237	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@](C)(O)c1ccc(Cl)cc1	887149440	WPSSQVKOTASETD-OAHLLOKOSA-N	308.765	1.498	50	20	DDGD	
O=C(CSc1ccccc1Cl)NNC(=O)c1ccnnc1	770264041	HBHQFNVISSWOHU-UHFFFAOYSA-N	322.777	1.683	50	20	DDGD	
COc1ccc(C=NNC(=O)CO)cc1OCc1cccnc1	776779384	JWTMWKQWWJMOIZ-UHFFFAOYSA-N	315.329	1.112	50	20	DDGD	
CC(C)(NCC(=O)NNC(=O)C1CC1)c1ccc(F)cc1F	886899133	CLTNLXDYOSHDMA-UHFFFAOYSA-N	311.332	1.347	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)c1ccc(CC)cc1	772086113	AQXPFUVZJIROPS-RYUDHWBXSA-N	320.389	1.842	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](C)Oc1ccc(F)c(F)c1	887143131	MLQDISQZTNCAIM-JTQLQIEISA-N	310.300	1.683	50	20	DDGD	
CN(C)c1cncc(NC(=O)NNC(=O)CC2CCCC2)c1	880361353	CBZHVEKUXRQDDH-UHFFFAOYSA-N	305.382	1.881	50	20	DDGD	
Cc1ccccc1NC(=O)C(=O)NNc1ncncc1Cl	782159966	ZEOPEKHEJLHPNY-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc2c(c1)CCC=C2	883068916	MSWUQCWUCPOQHG-UHFFFAOYSA-N	300.358	1.834	50	20	DDGD	
COc1ncccc1NC(=O)C(=O)NNc1cc(Cl)ccn1	784856296	KUBSOHNHHPKZTQ-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
C[C@@H]1[C@@H](C(=O)NNC(=O)Cn2ccc3ccccc32)C1(F)F	1123557467	SICWTIRKCBAWMJ-RNCFNFMXSA-N	307.300	1.690	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1CC(=O)c2ccccc21	789642659	ZSNOABJQXLWFFR-CQSZACIVSA-N	324.336	1.826	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1cncc(Cl)n1	788654830	FNBRBBXEKVZTDM-UHFFFAOYSA-N	317.696	1.332	50	20	DDGD	
CC/C(C)=C(/C)C(=O)NNC(=O)COc1ccccc1OC	780849560	ZRFDZGHLHKKYRH-QXMHVHEDSA-N	306.362	1.968	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2cccc(C(N)=O)n2)c1	782018477	MIAHMBYFHYZCMR-UHFFFAOYSA-N	304.281	1.085	50	20	DDGD	
CNC(=O)NNC(=S)Nc1cccc(OC(F)(F)F)c1	783732985	VHHHRTXBNUTQTL-UHFFFAOYSA-N	308.285	1.716	50	20	DDGD	
O=C(C[C@H]1OC(=O)c2ccccc21)NNc1ccnc(F)c1	781365407	KIQMZDXXYJLQAH-GFCCVEGCSA-N	301.277	1.966	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@H](CC)C(N)=O)cc1	782449188	SIBSNNLMVRNIGY-FWLQQBITSA-N	302.330	1.799	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCC(=O)NC(=O)NCc1ccco1	786675276	HQHLVBJNYIHMGD-WDZFZDKYSA-N	317.301	1.009	50	20	DDGD	
NC(=O)CSc1ccccc1C(=O)NNc1ccnc(F)c1	781366818	VJSVHPDFMQAEHP-UHFFFAOYSA-N	320.349	1.555	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)NC(C)(C)C)nn1C(C)(C)C	899991911	FGPVXPDQWZXZTI-UHFFFAOYSA-N	311.455	1.854	50	20	DDGD	
COCCCNC(=O)NN=C1CC[C@@H](C)C[C@H]1n1cncn1	794498905	FUTJNSWXTWXWLA-DGCLKSJQSA-N	308.386	1.331	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC[C@H]2CCC[C@H]2C)n1	798511812	SLZJTHISIUCKRR-ZWNOBZJWSA-N	307.398	1.267	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)c1cccc(C)n1)c1ccccc1	794080389	MAOJVGIJYWLDHA-OAHLLOKOSA-N	313.357	1.929	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNc1nc2ccccn2n1	791252837	NTUXEWGSGWXPKG-SNVBAGLBSA-N	315.308	1.779	50	20	DDGD	
Cc1nn(C(C)(C)C)c(C)c1C=NNC(=O)N1CCN(C)CC1	790181898	PPKJBLYBAQDUBI-UHFFFAOYSA-N	320.441	1.546	50	20	DDGD	
Cc1cc2ncc(C(=O)NNc3nc4ccccn4n3)c(C)n2n1	791252743	IEEUZYPJJWNZMW-UHFFFAOYSA-N	322.332	1.146	50	20	DDGD	
C=C(CBr)COC(=O)[C@H]1CCCN(C(N)=O)C1	795370721	HMHNOXCXWIAMRR-VIFPVBQESA-N	305.172	1.271	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)C(C2CC2)C2CC2)n1	793219792	DKCCTKDNEOVDHG-UHFFFAOYSA-N	302.378	1.865	50	20	DDGD	
CCc1onc(-c2ccccc2Cl)c1C(=O)NNC(=O)CO	795238456	KEZOZGVDLYTBFP-UHFFFAOYSA-N	323.736	1.311	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)c1cc(C)nc2ccccc12)C1CC1	798126366	VXGLNOHTYCWKIX-OAHLLOKOSA-N	313.357	1.729	50	20	DDGD	
CC[C@H](C(=O)NNc1cncc(Br)c1)N(C)C	1319627948	YODIBPZCHZZRAB-SNVBAGLBSA-N	301.188	1.627	50	20	DDGD	
CC[C@@H](C(=O)NNc1cncc(Br)c1)N(C)C	1319627946	YODIBPZCHZZRAB-JTQLQIEISA-N	301.188	1.627	50	20	DDGD	
COC(=O)C(=O)NN=C(Cc1ccccc1[N+](=O)[O-])C1CC1	1319361453	PCQTWQDUGWRPCJ-UHFFFAOYSA-N	305.290	1.193	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1c[nH]c(C(F)(F)F)c1	1324647972	GMQYDVRQCWGJHH-ZCFIWIBFSA-N	313.301	1.389	50	20	DDGD	
CCOC1(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CCCC1	1322041797	ZLLAQVDONGJERB-UHFFFAOYSA-N	320.393	1.399	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccc(Oc2cccc(F)c2)nc1	1320237458	IFZDMPQOUOOXBO-UHFFFAOYSA-N	320.280	1.158	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)cc1	1325467189	IYWFVGYCMXDGTI-UPJWGTAASA-N	319.405	1.718	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)C1CCNCC1)c1ccc(F)cc1	1325354246	IHFVYKKZYJTJJY-NSHDSACASA-N	322.384	1.259	50	20	DDGD	
NCCCCNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	1326133575	QPEVVVNPPUZPOO-UHFFFAOYSA-N	308.426	1.272	50	20	DDGD	
CO[C@H](C=NNC(=O)c1n[nH]c2c1CCCC2)[C@H]1CCOC1	1326100203	CUKKSPMOSBYCOW-GXFFZTMASA-N	306.366	1.056	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)Cc1ccn(C)n1	1337609343	YJUYTNPQFBSRKX-UHFFFAOYSA-N	309.801	1.744	50	20	DDGD	
COc1cc(C=NNC(=O)C[N+](C)(C)C)c2c(c1)C[C@H](C)O2	1256371403	ZQTDFGGKMLMNEM-NSHDSACASA-O	306.386	1.175	50	20	DDGD	
Cc1cccc(CN2CCCC[C@@H]2C(=O)NN(C)C[C@H](C)O)c1	1332150743	ZTSGMSLXXHIFRV-DOTOQJQBSA-N	319.449	1.693	50	20	DDGD	
C[C@@]1(CNC(=O)c2cnc3[nH]ncc3c2)C[C@@H]1Br	1347342139	HBDWDCFQSBKIMD-CABZTGNLSA-N	309.167	1.861	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=Cc1ccc(OC(F)F)c(F)c1	1344416655	XSXZOMCNMWBUCZ-UHFFFAOYSA-O	324.282	1.865	50	20	DDGD	
CCOC(=O)C1(CNC(=O)NNc2ccncn2)CCCC1	1340572953	JOXZAGFQUVOBFQ-UHFFFAOYSA-N	307.354	1.226	50	20	DDGD	
COCc1nocc1C(=O)NN=c1sc2ccccc2n1C	1347473775	KOQSXXYMHIZYHB-UHFFFAOYSA-N	318.358	1.620	50	20	DDGD	
Cn1[nH]c([C@@H]2CCCN2C(=O)C2CCC(Cl)CC2)nc1=N	1349810030	LIORPFYHRUTVNP-ILDUYXDCSA-N	311.817	1.689	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cccc([N+](=O)[O-])c2)c1Cl	1340554743	KACJANQGWJJYOI-UHFFFAOYSA-N	308.685	1.377	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1cc(C#N)oc1C	1607141634	NNUZPUHLKMZJKW-UHFFFAOYSA-N	315.285	1.923	50	20	DDGD	
COCCOCC(=O)NNc1ccc(C(=O)O)c(Cl)c1	1606900590	KZQWOASOSUBXIO-UHFFFAOYSA-N	302.714	1.144	50	20	DDGD	
O=C(CCl)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)O)c1	1608324592	PWMQERLDVGHYMC-LBPRGKRZSA-N	324.764	1.943	50	20	DDGD	
COc1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)nn1C	1607147527	UKDIGGQYEQWRCU-UHFFFAOYSA-N	321.245	1.254	50	20	DDGD	
N#Cc1cccc(NNC(=O)Nc2cccc(CC(=O)O)n2)c1	1601121612	PSLYQERNACNIJQ-UHFFFAOYSA-N	311.301	1.729	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2cnc3nccn3c2)cc1	1602128587	PNEMECFAGLWQMF-UHFFFAOYSA-N	311.301	1.113	50	20	DDGD	
Cc1ccc(C(=O)O)cc1NC(=O)NNC(=O)CC(F)(F)F	1600359643	SZZUNJQNBYVYJT-UHFFFAOYSA-N	319.239	1.798	50	20	DDGD	
NC(=O)[C@H]1CCC[C@@H](C(=O)NNc2cccc(F)c2C(=O)O)C1	1601146847	ZWUWCMVYFARDNY-DTWKUNHWSA-N	323.324	1.259	50	20	DDGD	
CNc1ncccc1C(=O)NNc1cccc(C(=O)O)c1C	1606315562	SOAOXDCFUOWTFX-UHFFFAOYSA-N	300.318	1.887	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CCc3c[nH]nc3C2)cc1C(=O)O	1600462139	DYYCRQDVKCOQNF-JTQLQIEISA-N	314.345	1.665	50	20	DDGD	
CCC(CC)(C(=O)O)C(=O)NN=c1cc[nH]c2ccccc12	1603526095	WUXJXSLXUOKPMH-UHFFFAOYSA-N	301.346	1.991	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2CCCC23OCCO3)cccc1C(=O)O	1600052313	HHRRIEQLPWGZFL-LBPRGKRZSA-N	320.345	1.680	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@H]2CCc3n[nH]cc3C2)c1	1610848822	UYXVMXQHTWFCNW-VIFPVBQESA-N	300.318	1.356	50	20	DDGD	
CO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Cl)C2	1802384573	HZPHOOPEDMVRAB-NZFPMDFQSA-N	306.765	1.194	50	20	DDGD	
COc1ccsc1C=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549320352	ZKNQFEFJLOOSOQ-ZYHUDNBSSA-N	309.391	1.070	50	20	DDGD	
COc1ccc(F)c(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)c1	1549322202	YGLFKDWAWYOQKK-SWLSCSKDSA-N	321.352	1.148	50	20	DDGD	
CCn1cc([C@H]2OCC[C@@H]2C=NNC(=O)c2cnsn2)cn1	1552918949	GTOOKIYHDNEBQM-SKDRFNHKSA-N	320.378	1.248	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1cc(O)cc(F)c1	1550697609	UWDZZHGUCZCOTE-ZFWWWQNUSA-N	321.352	1.235	50	20	DDGD	
CC1(C)CNC[C@H]1C(=O)NNc1nc(O)c2ccccc2n1	1576472996	JPRXCXYVKRFHMO-JTQLQIEISA-N	301.350	1.024	50	20	DDGD	
CCOCc1nc(C)cc(NNC(=O)N[C@H]2CC[C@H](CN)C2)n1	1578127383	VCCDETRPQBYFNN-RYUDHWBXSA-N	322.413	1.075	50	20	DDGD	
Cc1cc(Br)cnc1NNC(=O)[C@]1(F)CCNC1	1579552926	ONTMYCMMRJDUGK-NSHDSACASA-N	317.162	1.297	50	20	DDGD	
CC[C@@H]1NCC[C@H]1C(=O)NNc1ccc(C(=O)OC)cc1F	1577308026	JTTWBCZSDJRKGK-PWSUYJOCSA-N	309.341	1.444	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1F	1589116321	MUEUFFJVUWIZDD-UHFFFAOYSA-N	320.328	1.203	50	20	DDGD	
O=C(NNc1cccc(Br)n1)[C@]12CC[C@H]1CNC2	1580739825	POSGXZYFLRRJKI-UFBFGSQYSA-N	311.183	1.287	50	20	DDGD	
Cc1ccc(C(=O)N2CC3(CCCN3C(=O)[C@H](F)Cl)C2)o1	1843362133	DXSIVHXRCYZNEW-NSHDSACASA-N	314.744	1.939	50	20	DDGD	
COc1cccc(O)c1C(=O)NNc1ccc(C(=O)O)cc1F	1599680492	UGAOBKDZMVELIG-UHFFFAOYSA-N	320.276	1.995	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@@]1(Cl)C[C@H]2CC[C@H]1O2	1595261912	LTXKGKJWQISBTF-HUQFOHBGSA-N	311.725	1.152	50	20	DDGD	
Cc1cc(=NC(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc[nH]1	1592027814	YWPQXDWSONMZIE-UHFFFAOYSA-N	310.321	1.141	50	20	DDGD	
Cc1c(C(=O)NNc2ccc(C(=O)O)cn2)cnn1C(C)(C)C	1599982343	QAGPGQKRLKJZER-UHFFFAOYSA-N	317.349	1.797	50	20	DDGD	
CCOC1CC(CC(=O)NNc2ccc(CC(=O)O)cc2)C1	1596803098	BXOJLDKBKYXBEI-UHFFFAOYSA-N	306.362	1.962	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)Cc1cnn(C)c1C	1599377365	VMIHAVJDJJFXRR-UHFFFAOYSA-N	318.333	1.121	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1(F)F	1590132209	PSSYVCIBGUFIED-LBPRGKRZSA-N	323.307	1.538	50	20	DDGD	
CC[C@@H](C)[C@H](NNC(=O)[C@H]1OCC[C@H]1c1ccccc1)C(=O)O	1594921203	ONIQQPVFCLYHEM-UNQGMJICSA-N	320.389	1.679	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccc(Cl)c(N2CCCC2=O)c1	14800739	UDEZPXSQOOGSCV-UHFFFAOYSA-N	321.764	1.638	50	20	DDGD	
CCn1c(NNC(=O)C[C@@H]2CCCN2)nc2ccccc2c1=O	150743481	UDUNFGOKCILHNH-NSHDSACASA-N	315.377	1.002	50	20	DDGD	
CN(C)[C@H](CNS(=O)(=O)CCCCCl)c1ccco1	163445652	DFLMWZQDJQVGCL-LLVKDONJSA-N	308.831	1.821	50	20	DDGD	
C[C@@H]1CCC[C@H](CC(=O)NNC(=O)C(=O)Nc2ccccn2)C1	152098512	DLEOWEMBMYPKCQ-NEPJUHHUSA-N	318.377	1.384	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc(C3OCCO3)c2)o1	152753182	ZICCJNOXMIBVOA-UHFFFAOYSA-N	316.313	1.708	50	20	DDGD	
C/C(=C/C(=O)NNc1nccc(N2CCOCC2)n1)C(C)(C)C	155560114	IQBGGJUISIOVOC-QXMHVHEDSA-N	319.409	1.749	50	20	DDGD	
O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12)NNC(=O)[C@@H]1CCCO1	155653703	OMFQKAZOVPMHTF-LJISPDSOSA-N	315.373	1.082	50	20	DDGD	
COc1ccc(NNC(=O)c2n[nH]c3c2CCC3)c([N+](=O)[O-])c1	155226082	ZKNUVJQBYZIEHH-UHFFFAOYSA-N	317.305	1.572	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)c1ccc2ccccc2n1	154952376	TYBHKCAGKYWTBX-UHFFFAOYSA-N	310.357	1.982	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC(C)(C)[C@@H]2COC[C@@H]21	867372931	LPFJYEBDTOYVCG-MNOVXSKESA-N	309.859	1.938	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)C2=CCCCO2)o1	174762398	RYJMISZGZLGZCY-UHFFFAOYSA-N	321.377	1.577	50	20	DDGD	
CC(C)CCNC(=O)NNC(=O)Cc1nc2ccccc2n1C	54029558	GHGMPAJZOYVGEK-UHFFFAOYSA-N	317.393	1.492	50	20	DDGD	
COc1ccc2c(c1)C[C@@H](C(=O)NNc1cccnn1)CO2	172366976	DFUVVIPJEJHXSE-LLVKDONJSA-N	300.318	1.180	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1	64882759	DHSZINPCNKXETM-UHFFFAOYSA-N	319.321	1.820	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1cnn(-c2ccccc2)n1	118500730	ZWSIBWFXJGCLGM-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2cccc(OC(F)F)c2)[nH]n1	103111697	IURIRYMZTLYVNN-UHFFFAOYSA-N	324.287	1.648	50	20	DDGD	
C[S@](=O)c1ccc(NC(=O)NNC(=O)C(C)(C)C)cc1F	179880863	BNRWVRIOZXEFPR-NRFANRHFSA-N	315.370	1.762	50	20	DDGD	
COCc1ccccc1NC(=O)C(=O)NNc1ccc(C#N)cc1	119705440	VMDHTXBFCUVVQV-UHFFFAOYSA-N	324.340	1.786	50	20	DDGD	
Cc1cccc(N2C[C@H](C(=O)NNC(=O)C(C)C)CC2=O)c1C	22181645	JWFDSHOFEHURIL-CYBMUJFWSA-N	317.389	1.460	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CCCn1ccnc1C	67438621	QPZXJRAHDYADTH-UHFFFAOYSA-N	316.361	1.442	50	20	DDGD	
COC(=O)c1csc(S(=O)(=O)NCC(Cl)Cl)c1	867471714	QMJWBYWJQWBJRB-UHFFFAOYSA-N	318.203	1.617	50	20	DDGD	
CCCc1cc(C(=O)Nc2cccc(B(O)O)c2)sc1C	404931797	DYJOBFOHSFMIOG-UHFFFAOYSA-N	303.192	1.941	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCCc1cnn(C)c1	114260607	VCLLVJUHHOKDGK-UHFFFAOYSA-N	323.828	1.835	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N2CC[C@@H](CF)C2)C[C@@H]1Br	1353782241	GJYSCHNDZVYOQH-HOTUBEGUSA-N	321.190	1.094	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CC[C@H]2CC[C@H](C)O2)c1	174919684	PYOGRAJXNFAHNF-UONOGXRCSA-N	320.389	1.869	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CCn2c(C)c(C)sc2=O)n1	115325897	CZIDVTFVFDZTPJ-UHFFFAOYSA-N	321.406	1.467	50	20	DDGD	
COC(=O)CSCCC(=O)NNc1cc(F)c(F)cc1F	178539971	WQEOAXFBDIVFQR-UHFFFAOYSA-N	322.308	1.843	50	20	DDGD	
CN1CCC(=O)Nc2cc(C(=O)NNC(=O)C(C)(C)C)ccc21	173981815	COJBZJNCDXJBJD-UHFFFAOYSA-N	318.377	1.272	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Cc2ccccc2F)c1	66785077	NPDIFODFSLECJH-UHFFFAOYSA-N	302.305	1.838	50	20	DDGD	
CCOc1cccc(NC(=O)NNC(=O)c2cnn(C)c2)c1	184464729	ZPGZGDMNFWVFKE-UHFFFAOYSA-N	303.322	1.285	50	20	DDGD	
CCOc1cc(C)ccc1NC(=O)NNC(=O)c1cnn(C)c1	184200046	CDPIUECXMZGLNA-UHFFFAOYSA-N	317.349	1.594	50	20	DDGD	
CC(=O)c1cccc(NC(=O)NNC(=O)Cc2cc[nH]n2)c1	182746546	YZNSXOVQMZADNT-UHFFFAOYSA-N	301.306	1.008	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NO[C@@H]2CCCCO2)cc(C#N)n1C	128178386	WXSOWVLGTMAUDW-LPYTZGJOSA-N	314.345	1.687	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1cncc(F)c1	128248110	PEFMDZMZPKFLLL-UHFFFAOYSA-N	317.320	1.623	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cc3ccccc3cc2O)cn1	73048396	DSAJTGSNXJOSLM-UHFFFAOYSA-N	310.313	1.354	50	20	DDGD	
Cc1nnc(NC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)s1	78230376	IYSRKEGTEOATSM-NYYWCZLTSA-N	312.358	1.911	50	20	DDGD	
NC(=O)c1ccc(NC(=O)C(=O)NNc2ccccc2)cc1F	185212561	BMSRMABHWSNBKR-UHFFFAOYSA-N	316.292	1.006	50	20	DDGD	
Cn1ccnc(NNC(=O)C2(Cc3ccccc3)CCC2)c1=O	136969537	IXLDUVIPONZKSZ-UHFFFAOYSA-N	312.373	1.636	50	20	DDGD	
O=C(CCNC(=O)c1ccco1)NNc1nnc(C2CC2)s1	184461498	ZFOVUZXCZLQZAP-UHFFFAOYSA-N	321.362	1.272	50	20	DDGD	
O=C(NCCCOC[C@@H]1CCCO1)NNC(=O)c1ccccc1	45162683	SKQRVNCCDWTWDN-AWEZNQCLSA-N	321.377	1.216	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc2c(cc1Cl)OCCO2	48476238	XOTSYTFWYNAMEV-UHFFFAOYSA-N	301.686	1.504	50	20	DDGD	
CCCCC(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1	89373969	OUQLPNHWVXAABE-UHFFFAOYSA-N	311.769	1.294	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(Cl)c(C(N)=O)c1	45761254	LLXFSYUOXRMQJS-UHFFFAOYSA-N	300.702	1.222	50	20	DDGD	
CC(C)Oc1ccc(/C=C/C(=O)NNC(=O)[C@H]2CCCO2)cc1	130342663	LMKJAOADGTUGFM-JOZWUWCOSA-N	318.373	1.813	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1	81552578	WSQDQNDQIIDENJ-AWEZNQCLSA-N	321.396	1.984	50	20	DDGD	
COc1cc(C(=O)NNc2nccnc2OC)ccc1Cl	131961564	UMMVJCPJKVWZMJ-UHFFFAOYSA-N	308.725	1.904	50	20	DDGD	
O=C(NC[C@@H]1Cc2ccccc21)NNc1nc2ccccn2n1	191498735	QTOXHLXEPHOUHU-LBPRGKRZSA-N	308.345	1.695	50	20	DDGD	
O=C(Cc1cc(Cl)c2c(c1)OCCO2)NNc1ncccn1	44716802	BSYDYOXFMWLMFR-UHFFFAOYSA-N	320.736	1.587	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCCc2ccccc2)cc(O)n1	133627386	ZGIREEXQKLALQM-UHFFFAOYSA-N	313.357	1.880	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccc(C)o2)c1C	84373863	JSSLJOTZWJTSPJ-UHFFFAOYSA-N	303.318	1.810	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C/c1cn(C)nc1-c1ccncc1	191767995	LTOABWJGNKZWKI-MDWZMJQESA-N	302.359	1.781	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2c(C)cccc2[N+](=O)[O-])n1	194790033	IMOZPMSGDKRNKR-UHFFFAOYSA-N	317.305	1.767	50	20	DDGD	
COc1cc(C=NNC(=O)Cn2cnc3ccccc32)ccc1O	254836723	VQFNJJPMALNDLZ-UHFFFAOYSA-N	324.340	1.901	50	20	DDGD	
O=C(O)COc1ccc(C=NNC(=O)c2ccccc2O)cc1	254592702	HEQQRTBXIJLWSE-UHFFFAOYSA-N	314.297	1.620	50	20	DDGD	
COc1c(C(=O)NNC(=O)c2ccccc2C)c(C)nn1C	264787893	RBEWKIBKAKSRMP-UHFFFAOYSA-N	302.334	1.120	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)c1ccc2c(c1)OCCO2	265709654	NEEKGQBLCCRBDU-UHFFFAOYSA-N	317.301	1.083	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)NC(C)C)nn1-c1ccccc1	265589748	RNYCDQPBRWCQJO-UHFFFAOYSA-N	316.365	1.182	50	20	DDGD	
CN(C)CC(=O)NNC(=O)C(F)(F)c1cccc(Cl)c1	265020560	DXGFONPVCPJBKV-UHFFFAOYSA-N	305.712	1.141	50	20	DDGD	
CO[C@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccc(C#N)cc1	266621788	XRDCUWUZDXSOEI-KGLIPLIRSA-N	316.361	1.460	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CC[S@](=O)[C@H](C)[C@H]1C	265655825	YNZUKIJLAXAAMV-ZSDNHXBWSA-N	323.418	1.191	50	20	DDGD	
CCN(CC)c1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)cc1	269428719	YLYGJHJEMTWRKE-OAHLLOKOSA-N	319.405	1.863	50	20	DDGD	
O=C(CCc1nc(C2CCCC2)no1)NNC(=O)NC1CC1	268540018	KLXVOPFSTNAESD-UHFFFAOYSA-N	307.354	1.153	50	20	DDGD	
COCC[C@@H](C)NC(=O)NNC(=O)COc1ccc(C)cc1	263711095	KEPVDHRTMGSBSD-GFCCVEGCSA-N	309.366	1.129	50	20	DDGD	
C[C@H]1CCC[C@@H](NC(=O)NNc2nc(O)c3cnn(C)c3n2)C1	269442943	SUQWRDAWJGWCRO-DTWKUNHWSA-N	319.369	1.274	50	20	DDGD	
CC[C@@H]1CN(C(=O)NNC(=O)c2ccccc2C)C[C@@H](C)O1	264693085	FAKIXIUTQLLHLM-CHWSQXEVSA-N	305.378	1.849	50	20	DDGD	
CNC(=O)C(C)(C)CNC(=O)NNc1ncnc2ccsc12	269452998	UTLAAPFIPDSYRC-UHFFFAOYSA-N	322.394	1.090	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCc2cccn2C)c1	266598915	ZELAJHHLKPBBNB-UHFFFAOYSA-N	315.377	1.235	50	20	DDGD	
CN(C)c1noc(CCC(=O)NNc2ccc(F)cc2F)n1	275568645	ICGBEXHLNAOJLI-UHFFFAOYSA-N	311.292	1.490	50	20	DDGD	
O=C(NNC(=O)C1CC1)C(=O)Nc1cc(F)c(F)cc1Cl	274059900	MWJPFUCJLHUSFV-UHFFFAOYSA-N	317.679	1.114	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1CCO[C@@H](C2CC2)C1	274141338	CDJDZDHNTXUDTF-DZGCQCFKSA-N	317.389	1.897	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(OCC(=O)NC)cc1	273442918	ZBYPEXZDEBXMSF-SNVBAGLBSA-N	322.365	1.010	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)c(C)n1	274106181	YFODFZIVDDUHMA-UHFFFAOYSA-N	306.366	1.221	50	20	DDGD	
COC(=O)N(C)CC(=O)NNc1ccccc1OC(F)(F)F	275107623	BMRHQWZUEYPHDV-UHFFFAOYSA-N	321.255	1.727	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(NC(=O)N(C)C)cc1Cl	274305063	RSPBWKONDUZHAD-UHFFFAOYSA-N	314.729	1.434	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ccc(C#N)c(Cl)c2)CC1	280240867	HZYFWFANHATJEE-UHFFFAOYSA-N	313.766	1.232	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@@H]2CCC(F)(F)C2)n1	280520897	GFEGJOMGOVXRBM-SNVBAGLBSA-N	312.320	1.769	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	285026382	OPTZTNMSXTVULR-AWEZNQCLSA-N	315.329	1.178	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C(C2CC2)C2CC2)cc1	282370771	CJGXJXOBEBVGIZ-UHFFFAOYSA-N	315.373	1.517	50	20	DDGD	
CC(C)[C@H](NC(=O)NNc1cccc(F)n1)c1nncn1C	286773219	GTVBOFORIFGHDS-NSHDSACASA-N	307.333	1.373	50	20	DDGD	
O=C(NCCN1CCCOCC1)NNc1c(F)cccc1F	297362609	OWHCZSBAOMWJQJ-UHFFFAOYSA-N	314.336	1.313	50	20	DDGD	
C[C@](O)(Cc1ccccc1)C(=O)NNC(=O)Nc1ccccc1	801984862	MJFYFDCHCLESCR-KRWDZBQOSA-N	313.357	1.833	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C	291910305	SQBQWDPQHIHNAN-GXSJLCMTSA-N	315.370	1.193	50	20	DDGD	
COc1ccc(F)cc1NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	296956179	QOBMZNLAOQYCHU-UFBFGSQYSA-N	311.313	1.555	50	20	DDGD	
COc1ccccc1CCC(=O)NNC(=O)[C@@H]1CCCCO1	295697260	ZTPLNYSKODMFDW-AWEZNQCLSA-N	306.362	1.344	50	20	DDGD	
COCCN(C)NC(=O)CCC(=O)c1ccc2c(c1)OCCO2	808074676	IFLNZYKSZWZTPY-UHFFFAOYSA-N	322.361	1.030	50	20	DDGD	
COCCN(C)NC(=O)C1(Cc2cccc(F)c2)CCOCC1	297139881	QQAXHYHWQUIVSS-UHFFFAOYSA-N	324.396	1.774	50	20	DDGD	
C=C[C@H](CO)NS(=O)(=O)c1ccc(CCCCl)cc1	290094776	DXUYBKLOAWERDY-GFCCVEGCSA-N	303.811	1.683	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@H]2COc3ccccc32)n1	291966113	XUFHZNZXOAQDBP-JTQLQIEISA-N	315.333	1.288	50	20	DDGD	
O=C(NNC(=O)C1CC1)C(=O)Nc1cccc(C2CCC2)c1	291732488	LEZMLUMAACHTAC-UHFFFAOYSA-N	301.346	1.450	50	20	DDGD	
CCCOc1ccc(C(=O)NNc2nnc[nH]2)cc1OCC	293880530	JQMWIXHFEPAARL-UHFFFAOYSA-N	305.338	1.749	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)O1	294383780	WRDLURYVBNJWFF-UKKREREHSA-N	324.327	1.783	50	20	DDGD	
Cc1ncc2n1CC[C@@H](C(=O)NNc1cnc3ccccc3n1)C2	290521416	UPGDCZPNIAEDNH-GFCCVEGCSA-N	322.372	1.840	50	20	DDGD	
Cc1nn(Cc2ccccc2)c(N)c1C(=O)NNc1cccnn1	803099359	RGTXXGKGBGZRHA-UHFFFAOYSA-N	323.360	1.369	50	20	DDGD	
C[C@H]1COCC[C@@H]1CNC(=O)NNC(=O)CCc1ccccc1	805821173	FQFMLNLCRCTBQZ-DZGCQCFKSA-N	319.405	1.622	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F	806785170	ICGLIEWADQFFJY-QMMMGPOBSA-N	323.315	1.123	50	20	DDGD	
COCc1ncc(C(=O)NNc2ccc([N+](=O)[O-])cc2)s1	802820605	CVTCKUVCLABNSR-UHFFFAOYSA-N	308.319	1.955	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H]2CCC(=O)c3ccccc32)O1	293814334	DTICHMIMLQBKNX-ZBINZKHDSA-N	316.357	1.462	50	20	DDGD	
CSCC[C@H](O)C(=O)NNC(=O)c1cccc(Cl)c1	294277587	HETWXRZCVWFELC-JTQLQIEISA-N	302.783	1.215	50	20	DDGD	
CC(=O)Nc1ccccc1CC(=O)NNc1ncccc1F	804220002	KVULPWMAHFCDKD-UHFFFAOYSA-N	302.309	1.865	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1cccc(Cl)c1F	810550083	SQXFLZAJPVMQSJ-UHFFFAOYSA-N	301.774	1.703	50	20	DDGD	
O=C(O)[C@@H]1CCCN1S(=O)(=O)c1ccc(CCCl)cc1	819244332	DQDYYXUCVMDEQF-LBPRGKRZSA-N	317.794	1.706	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)[C@@H](F)C(F)(F)F	810384411	BPTFRADPEVLVSN-MRVPVSSYSA-N	314.260	1.434	50	20	DDGD	
CCN(CC(=O)NNC(=O)Cc1ccccc1C)C[C@H](C)OC	812909194	SJRAJRHOUBTGAP-AWEZNQCLSA-N	321.421	1.042	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)c1cccc(CO)c1	813442966	VYJVPRBLLNUZCT-UHFFFAOYSA-N	323.352	1.595	50	20	DDGD	
Cn1nncc1NNC(=O)CCCC[C@H]1CCSS1	816769014	QOKDDIUDFXYESR-VIFPVBQESA-N	301.441	1.972	50	20	DDGD	
COCCN(C)NC(=O)Cc1csc(Cc2ccccc2)n1	816561852	NXVIAAXHWMALMY-UHFFFAOYSA-N	319.430	1.886	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1CC[C@H](C(=O)O)C[C@H]1C	814795422	VXYUGDRVWYVLJU-SVRRBLITSA-N	310.379	1.640	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1ccc2c(c1)CCCC2=O	814683494	CUDBCGXUMMVERM-UHFFFAOYSA-N	309.325	1.675	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)COc1ccc(C)c(C)c1	811630100	AJBKCDIYPHLYEI-AWEZNQCLSA-N	317.389	1.843	50	20	DDGD	
CCC[C@H](NC(=O)Cc1ccccc1)C(=O)NN(C)C1CC1	819646493	AJONNPIHKDYASS-HNNXBMFYSA-N	303.406	1.639	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H](C)c2ccccc2C)n[nH]1	823368751	OHLXTFKUUNZCQT-GFCCVEGCSA-N	300.362	1.520	50	20	DDGD	
Cc1ccc([C@@H]2C[C@@H](C)N(CC(=O)NNC(=O)C(C)C)C2)cc1	829312494	ATHRVHBGRBJJED-GDBMZVCRSA-N	317.433	1.976	50	20	DDGD	
Cc1cc(C(=O)NN(C)[C@H](C)CO)nn1-c1cccc(Cl)c1	823939135	GDAQULXQRXANHB-LLVKDONJSA-N	322.796	1.792	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)on1	824342662	RSDHGZBWPSXHHO-UHFFFAOYSA-N	313.321	1.735	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NN(C)C(=O)OC(C)(C)C	496811428	AUGUFPCYNABXMB-UHFFFAOYSA-N	302.371	1.864	50	20	DDGD	
CC(C)(C=NNC(=O)[C@@H]1CCCCO1)NC(=O)OC(C)(C)C	495924388	VPSFOJZITGQLMW-NSHDSACASA-N	313.398	1.961	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccc(-c3nn[nH]n3)s2)cc1	826386161	RLEWHKIVLPRABS-UHFFFAOYSA-N	311.330	1.557	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	496544420	WWEZUZQWCZBBPM-UHFFFAOYSA-N	302.674	1.983	50	20	DDGD	
Cn1cc(-c2ccc(C(=O)NNC(=O)OC(C)(C)C)o2)cn1	497034253	JQSJKPGZXYKMDZ-UHFFFAOYSA-N	306.322	1.850	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCOC[C@@H]2C2CCC2)cn1	491105022	PEWXQNRGGRNIED-XIEDVDOYSA-N	300.362	1.355	50	20	DDGD	
CC(=NNC(=O)Cc1nc(C)cs1)c1ccc(O)cc1O	725855841	GWPQCGCVOCBZDE-UHFFFAOYSA-N	305.359	1.946	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CC[C@H](Oc2ccccc2)C1	825964100	ISSVQLSVFNFIAN-ZDUSSCGKSA-N	305.378	1.927	50	20	DDGD	
COC(=O)NNC(=O)[C@H](C(C)C)[C@H](C)NC(=O)OC(C)(C)C	496318168	BBTXUCCMVOJSEF-VHSXEESVSA-N	317.386	1.559	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N(C)[C@H](C)c1ccccc1F	827314659	IFTUHKHOWMDCQI-NTZNESFSSA-N	323.368	1.984	50	20	DDGD	
Cc1nn(CC(F)F)cc1C(=O)NN(C)C(=O)OC(C)(C)C	822508463	ZFZASUNFLWNMDH-UHFFFAOYSA-N	318.324	1.968	50	20	DDGD	
Cc1ncc(CN(C)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)s1	827315941	WPDAEQYTWHGCNC-GZMMTYOYSA-N	312.395	1.049	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc3cccnc23)CO1	825821174	KHXFOBHOZSTWJB-ZYHUDNBSSA-N	314.345	1.356	50	20	DDGD	
CCN(CC)C(=O)CCCC(=O)NN(C)C(=O)OC(C)(C)C	497310033	BICGLPSNFDJVCV-UHFFFAOYSA-N	315.414	1.923	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CC[C@H](c3ccc(F)cc3)C2)cc1	585038577	IEENECVQPYUNPP-MAUKXSAKSA-N	313.181	1.931	50	20	DDGD	
O=C(C[C@H]1CSc2ccccc2O1)NNC(=O)C1CCC1	825797087	PYLDVXJFGKXMOF-NSHDSACASA-N	306.387	1.877	50	20	DDGD	
CC[C@H](NCc1ccc(B(O)O)cc1F)c1ccc(OC)cc1	585016694	WCBOSEHXOAOQDZ-KRWDZBQOSA-N	317.169	1.755	50	20	DDGD	
C[C@@]1(CNC(=O)c2cccc(B(O)O)c2)CCCc2ccccc21	584969712	IBOLNZHDMNXPBW-IBGZPJMESA-N	323.201	1.390	50	20	DDGD	
C=CC[C@H]1N(C(=O)c2cc(B(O)O)ccc2F)CCCC1(C)C	584982653	PGKMNLFNQONABC-OAHLLOKOSA-N	319.185	1.712	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H](CCc1ccccc1)C(F)F	585049217	LTWWXZYORDFWJK-INIZCTEOSA-N	319.160	1.723	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)NC2CCCCC2)C[C@H]1Br	905102936	GBOCPJKNYGYSKU-BXKDBHETSA-N	318.215	1.823	50	20	DDGD	
Cc1ccc(OCCNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	825525491	FHLRTXBLGUQVAN-OCCSQVGLSA-N	321.377	1.129	50	20	DDGD	
CN(C)c1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)c2ccc[nH]2)cc1	730518783	BKXREJASLUEJHZ-UONOGXRCSA-N	312.373	1.645	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2ccccc2C(=O)O)ccn1	731561443	GLOWCKFOJPYUQE-UHFFFAOYSA-N	312.329	1.610	50	20	DDGD	
CC(C)Oc1ccccc1C=NNC(=O)[C@H]1CCS(=O)(=O)C1	730575846	IWRPULYZCCYVEX-ZDUSSCGKSA-N	324.402	1.359	50	20	DDGD	
Cc1ccc(NNC(=O)NCCOc2ccccc2F)nn1	730021681	KJYUWCJCGZMRKY-UHFFFAOYSA-N	305.313	1.629	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1ccc(O)c(C(=O)O)c1	490909614	OLNYJARADOCGDX-YRNVUSSQSA-N	304.302	1.150	50	20	DDGD	
COC[C@H](NC(=O)/C(C#N)=C/c1ccc(F)cc1)C(=O)OC	490845948	UIKAMEBZHRURTD-HJTPGIPUSA-N	306.293	1.037	50	20	DDGD	
CN1CCC[C@H](CCNC(=O)/C(C#N)=C\c2cnn(C)c2)C1	491133040	OKXYUYJZSGAPKN-ATDKOCKZSA-N	301.394	1.175	50	20	DDGD	
O=C(CNc1ccccc1)NN=Cc1cc(C(=O)O)ccc1O	739309108	QECRXSKAIFHQEE-UHFFFAOYSA-N	313.313	1.653	50	20	DDGD	
O=C(NN[C@@H](C(=O)O)c1cccnc1)c1cccc(Cl)c1	833149405	PLISOJUYXUMBGI-GFCCVEGCSA-N	305.721	1.795	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1NC(=O)NNC(=O)COc1ccc(C#N)cc1	838761410	QQMWLVXEFGODME-UONOGXRCSA-N	316.361	1.312	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H]2CCCCN2C)c1	731892252	YNOWVBFAVASPQH-AWEZNQCLSA-N	319.405	1.314	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	831241900	XLMRRGRZLMIHDX-SKDRFNHKSA-N	321.333	1.051	50	20	DDGD	
O=C(NCc1cc(-c2ccccc2)on1)NNC(=O)C1CCC1	732460645	BXQHTWJCAXJKPK-UHFFFAOYSA-N	314.345	1.972	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCCO[C@H](c2ccccc2)C1	732200863	CBNGCQFOUKVTOQ-HIFRSBDPSA-N	319.405	1.396	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1ccc(OC)c(C(=O)O)c1	737130346	YBTCGDATQDQGNT-LUAWRHEFSA-N	304.302	1.454	50	20	DDGD	
Cc1csc([C@@H](NCc2ccc(B(O)O)cc2F)C2CC2)n1	585027455	UBKBYLYKOAMSRR-AWEZNQCLSA-N	320.198	1.511	50	20	DDGD	
CC(C)Oc1cccc([C@@H](C)NCc2ccc(B(O)O)o2)c1	585015711	KRZBJSNHZNUCQR-GFCCVEGCSA-N	303.167	1.597	50	20	DDGD	
CC[C@H](C)c1cc(-c2nc(-c3cccc(B(O)O)c3)no2)on1	585054357	SZQZGCIQDIKWTK-VIFPVBQESA-N	313.122	1.585	50	20	DDGD	
CC(C)(NC(=O)O)C(=O)NNc1ccccc1Br	833461899	YLRFXZZBJYTHAC-UHFFFAOYSA-N	316.155	1.938	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)c2cccc3ncccc23)n[nH]1	738478810	AAYBHFBXRWNLFC-UHFFFAOYSA-N	324.344	1.411	50	20	DDGD	
COc1ccc(OC)c(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	831063072	SQYHPPVMIGCHPN-ONGXEEELSA-N	323.349	1.282	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)Nc1ccccc1F	730818848	WIJUHBBNWCLAMP-UHFFFAOYSA-N	319.292	1.763	50	20	DDGD	
CO[C@@H]1C[C@@H](NC(=O)NNc2ncc(F)cc2F)C12CCC2	838765219	KUFNEVBHXWNHBR-GHMZBOCLSA-N	312.320	1.944	50	20	DDGD	
CCOC1(c2nc(-c3cccc(B(O)O)c3)no2)CCCC1	585052591	RLZQDGXJZAYFIT-UHFFFAOYSA-N	302.139	1.222	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1nccc2occc12	831575378	HXYOXYFWWQPBNQ-UHFFFAOYSA-N	310.404	1.300	50	20	DDGD	
CC[C@H](Oc1ccccc1Cl)C(=O)N1CC[C@H](B(O)O)C1	585071121	MYFQVJIXDQFEGE-JQWIXIFHSA-N	311.574	1.573	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)cc1F	837050217	GRLIDUWPAPABDQ-SUZMYJTESA-N	308.309	1.623	50	20	DDGD	
O=C(C[C@H]1CCCO1)NNc1cccc(Br)n1	837210744	ZAXMYBUHGLAUAM-MRVPVSSYSA-N	300.156	1.856	50	20	DDGD	
COc1cccc(SCC(=O)NNC(=O)c2ccccn2)c1	918686529	ZXLSQPKOCQCMLM-UHFFFAOYSA-N	317.370	1.644	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@]2(C)CCCOC2)c1F	837060843	HIHDQCXUKLDFPU-OAHLLOKOSA-N	310.325	1.872	50	20	DDGD	
CCCC1CCC(=NNC(=O)Cc2cc(O)nc(O)n2)CC1	743447272	GGMVMIQGDUPCCX-UHFFFAOYSA-N	306.366	1.893	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NNC(=O)CC1CCCC1	749945038	ISNZQOYGZKNFAS-ZDUSSCGKSA-N	323.437	1.751	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)Cc1ccc(Br)c(F)c1	910161393	YVDPIPWUUQKDBJ-QMMMGPOBSA-N	319.174	1.475	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1ccc(O)cc1O	916364477	NFZOMZDUXHLIPX-LBPRGKRZSA-N	305.378	1.670	50	20	DDGD	
C[C@H](Oc1cccc(C=NNC(=O)c2cccn2C)c1)C(=O)O	746683420	VSWVYSHXOKYVDP-NSHDSACASA-N	315.329	1.641	50	20	DDGD	
Cn1cc(Cl)cc1C(=O)NNC(=O)c1cccc(Cl)n1	749478207	XAGFTWDEBPLICE-UHFFFAOYSA-N	313.144	1.802	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(F)c(F)c1F)N1C(=O)CCC1=O	748221223	WRUYKKGTUGOZAB-LURJTMIESA-N	315.251	1.085	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1C2CC3CC(C2)CC1C3	916361505	BQBLZGWBRZPQKL-AXQFOSQISA-N	319.449	1.883	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CC(F)(F)F)cc1[N+](=O)[O-]	918363700	CQNKGMXKBWNQEP-UHFFFAOYSA-N	305.212	1.617	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)CC2(O)CCCC2)c1	746095589	UWPQXLSOBFADSB-UHFFFAOYSA-N	322.361	1.160	50	20	DDGD	
O=C(NNc1ncccc1F)N[C@H]1CCN(CC(F)F)C1	841593544	AGEUQEHOODZGQI-QMMMGPOBSA-N	303.288	1.186	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCC2(C)CCNCC2)cc1	841968838	FCWCVDCPLFALSK-UHFFFAOYSA-N	318.421	1.583	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=Cc1ccn(C)c1	749857575	BVGFIWFPVIVORL-BFHYXJOUSA-N	306.410	1.221	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)NC2CCCCC2)[nH]n1	842522634	QXJPHHUCZDGDBH-UHFFFAOYSA-N	307.354	1.552	50	20	DDGD	
NC(=O)COc1ccc(C=NNC(=O)NC2CCCC2)cc1	743532014	KOLXGUGOASHFSF-UHFFFAOYSA-N	304.350	1.126	50	20	DDGD	
CC(CN1Cc2ccccc2C1)=NNC(=O)[C@H]1CCO[C@H]1C	842560508	MIJWOIFGASQCEQ-BBRMVZONSA-N	301.390	1.919	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1ccc(Cl)cc1O	841628530	XZPDKCFMUKRBJS-SNVBAGLBSA-N	314.769	1.937	50	20	DDGD	
CCOc1cccc(NC(=S)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	843278171	XUNBZOLXJYVAQQ-ZWNOBZJWSA-N	323.418	1.828	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)C1CCSCC1	848321408	ROPFZUNUZFBXKD-UHFFFAOYSA-N	317.212	1.825	50	20	DDGD	
COc1cc(C=NNC(=O)C(=O)N2CCCC2)ccc1SC	748136158	CWKNWJCGYAKLHH-UHFFFAOYSA-N	321.402	1.490	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)nc2)s1	749347818	IPSVNPMOQFORII-UHFFFAOYSA-N	306.734	1.743	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(F)cc2)[C@@H](C)[C@@H]1C	842167884	XRBUYNSINQOMCU-UTUOFQBUSA-N	307.369	1.563	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)c1cc(C2CC2)on1	848320211	MPLLWRFPAPERNT-UHFFFAOYSA-N	324.138	1.861	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1)C(=O)O	848587052	AZHWJIRFGIUBJM-SNVBAGLBSA-N	321.377	1.649	50	20	DDGD	
O=C(NCCOC[C@H]1CCCO1)NNc1cc(F)ccc1F	918989497	SAJLQXKQAIMVSE-LLVKDONJSA-N	315.320	1.787	50	20	DDGD	
CCC(=NNC(=O)CNc1ccccc1OC)c1cnn(C)c1	741805947	XLLGUQWHKSKCNE-UHFFFAOYSA-N	315.377	1.771	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNc1cc(Cl)nc(Cl)c1	846267630	BLYPAFLMKDDPOA-UHFFFAOYSA-N	319.192	1.994	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=Cc1nccc(OC)n1	842521961	JRHRMQGKGMMJBS-UHFFFAOYSA-N	314.345	1.577	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cn(C)nc1-c1ccc(C)o1	843264085	MKZVBGYPLQDVAO-WQLSENKSSA-N	314.345	1.658	50	20	DDGD	
CCC(CC)n1nccc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843662505	RIULGPASIKGKSI-ZYHUDNBSSA-N	308.382	1.430	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccc(F)cc1OCC1CC1	841124861	WEKHWPZJHBGKGJ-UHFFFAOYSA-N	324.356	1.506	50	20	DDGD	
O=C(NNc1ccc(F)cc1)N[C@@H]1CCN(CC(F)F)C1	842195961	KFEXIWRROWVYPO-LLVKDONJSA-N	302.300	1.791	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCC1CC2(C1)OCCO2	927092961	BQIUQUYMDOLMHB-UHFFFAOYSA-N	309.341	1.913	50	20	DDGD	
Cc1ncc(NC(=O)NNC(=O)c2c[nH]c3ccccc23)cn1	756368556	QSLCCEFPYXAANA-UHFFFAOYSA-N	310.317	1.733	50	20	DDGD	
Cc1ccc(NNC(=O)CCN2CCCS2(=O)=O)cc1F	856230744	AVKPJXSIPOPKHI-UHFFFAOYSA-N	315.370	1.003	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@]1(C)CCN(C(=O)OC(C)(C)C)C1	853000914	SHGIEIGXNDELAA-YBHKSSGVSA-N	323.393	1.946	50	20	DDGD	
O=C(CCNC(=O)C1CCCCC1)NNC(=O)C1CCCC1	751081395	SCECOWSTMOZOAD-UHFFFAOYSA-N	309.410	1.411	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)C(F)(F)c1nccs1	756726208	QEIMGKGSDVEQGM-UHFFFAOYSA-N	312.301	1.020	50	20	DDGD	
CCOC[C@@H]1C(=O)N(C[C@@]2(C)C[C@@H]2Br)C(=O)N1C	857228156	ZJMIYXIIFVADGP-VDDIYKPWSA-N	319.199	1.459	50	20	DDGD	
O=C(NNC(=O)c1nc(Cl)cs1)OCC(F)(F)F	856020589	MMPHSRVDDNVLBI-UHFFFAOYSA-N	303.649	1.730	50	20	DDGD	
CC(C)(C)N1C[C@@H](C(=O)NNc2ccc(Cl)cn2)CC1=O	856095962	XIQAELCCBMVCOR-VIFPVBQESA-N	310.785	1.825	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1conc1C(F)(F)F	855000595	LHZVHMPAOGPPSZ-UHFFFAOYSA-N	305.134	1.407	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1c[nH]c2ccccc2c1=O	920821760	HAGYITURKWTBJJ-UHFFFAOYSA-N	302.334	1.272	50	20	DDGD	
Cc1ccnc(NNC(=O)COCCNC(=O)OC(C)(C)C)c1	755838434	LHGTZXCSBXMADK-UHFFFAOYSA-N	324.381	1.374	50	20	DDGD	
C[C@H](c1ccccc1)[C@H](O)CNC(=O)/C(C#N)=C\c1cnn(C)c1	856292039	HVNZCAHRHDCIHC-DKTUPHFTSA-N	324.384	1.608	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C1CC(F)(F)C1	753567015	ZAUXEYJWUHBIAT-QMMMGPOBSA-N	316.279	1.786	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@]2(C)COc3ccccc3O2)n1	858264938	OCTKNXZXUPNYDY-INIZCTEOSA-N	314.345	1.767	50	20	DDGD	
NC(=O)c1csc(C=NNC(=O)COc2ccc(F)cc2)c1	755888561	QKUOTGVMERAHJZ-UHFFFAOYSA-N	321.333	1.515	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@@]3(CCNC3)C2)C[C@@H]1Br	857106114	YTDWNDZQSDWSOC-CYZMBNFOSA-N	316.243	1.555	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)C=C2CCC2)cc1	756732902	JUMSWIWIYWXKRT-UHFFFAOYSA-N	302.330	1.410	50	20	DDGD	
CC[C@H](Cc1ccccc1)N(C)C(=O)NNC(=O)c1cn[nH]c1	858705137	WNSDREZGJWGLNS-CQSZACIVSA-N	315.377	1.717	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)/C=C/c1cccc(O)c1	854284002	SOKLVSWCIHYYME-BQYQJAHWSA-N	323.418	1.279	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)N[C@H]1CCN(CC(F)F)C1	852385002	IZICINFEJXXVAW-VIFPVBQESA-N	319.743	1.701	50	20	DDGD	
COC(=O)c1coc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)c1	758069507	MTNWYAUJTOAXDT-UHFFFAOYSA-N	317.257	1.738	50	20	DDGD	
CN(CC(=O)NNc1ccc(Cl)cn1)[C@@H]1CCSC1	856092889	JUHXBUOQUFSFNP-SNVBAGLBSA-N	300.815	1.615	50	20	DDGD	
CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)NNC(=O)C1CCC1	852691183	FPYCAJKKHMDTLX-ABAIWWIYSA-N	311.382	1.239	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2nc(N(C)C)no2)cc1F	854050093	UYWXTFCVSGTRLT-UHFFFAOYSA-N	308.317	1.409	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cnc2n1[C@H](C)CCC2)C1CC1	855095784	OSEHGTSXRJWGCL-ZJUUUORDSA-N	321.450	1.688	50	20	DDGD	
CC(C)Cc1ccc(C=NNC(=O)CN2CCCC2=O)cc1	755888609	XJXPLBBPDVVFPL-UHFFFAOYSA-N	301.390	1.958	50	20	DDGD	
Cc1nn(C)cc1C=NNC(=O)c1cc([N+](=O)[O-])ccc1O	755751800	YYFVQMCSMWNWHW-UHFFFAOYSA-N	303.278	1.106	50	20	DDGD	
Cc1nn(C)cc1C1=NO[C@@H](C(=O)NNc2cccc(F)c2)C1	935021200	RPDZGMXNWPVAMV-CQSZACIVSA-N	317.324	1.504	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CCc2cn[nH]c2)c1C	863855944	YUNVDTOLAXXUHG-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)Nc3cccc(F)c3)nc21	769934314	QYALZKGKSRMVEU-UHFFFAOYSA-N	317.284	1.357	50	20	DDGD	
COC[C@H]1CCCN1NC(=O)/C(C#N)=C/c1ccc(O)cc1	862594037	UAPQJPWQQHQTDN-KADHNRKRSA-N	301.346	1.441	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@H](C)CC2(C)OCCO2)n1	868858487	HOCRTBTVKHIHNE-LLVKDONJSA-N	324.381	1.506	50	20	DDGD	
O=C(Cc1cnn(-c2ccccc2)c1)NNc1ncc(F)cn1	760920877	PZLCGZMEPGGERW-UHFFFAOYSA-N	312.308	1.487	50	20	DDGD	
CCOc1ccc(NNC(=O)NCC2(N)CCOCC2)cc1	861666596	KAKJMAKSRSAPNJ-UHFFFAOYSA-N	308.382	1.219	50	20	DDGD	
CC(=O)N[C@](C)(C(=O)NNc1cnc2ccccc2n1)C(C)C	935403050	WPXXBPOQBPKLTF-INIZCTEOSA-N	315.377	1.624	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H]1CCN(CC2CC2)C1	866754301	MZBLKBNBZKZHAK-GFCCVEGCSA-N	308.875	1.655	50	20	DDGD	
COc1cccc(C(C)(C)C(=O)NNC(=O)c2c[nH]nc2C)c1	865567921	DSNQHQFXSAMTIN-UHFFFAOYSA-N	316.361	1.466	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CSC2=N[C@@H](C)CS2)cc1	766296116	QBLVHIFSMVZBBM-JTQLQIEISA-N	323.443	1.981	50	20	DDGD	
N#Cc1cccc(NNC(=O)CNC(=O)Cc2ccc(O)cc2)c1	765605989	YTKHNNXWTMBBTH-UHFFFAOYSA-N	324.340	1.066	50	20	DDGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)C1CSC1	864474373	NFWYVEWEVVFDID-UHFFFAOYSA-N	316.835	1.943	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CCO[C@H](C(C)C)C2)c1	1118864368	OULKTPPINNNRRL-NSHDSACASA-N	311.407	1.768	50	20	DDGD	
OB(O)c1ccc(OCc2cc(F)ccc2OC(F)F)cc1	864048165	CBIAXTAXIAOOJV-UHFFFAOYSA-N	312.052	1.686	50	20	DDGD	
COC(=O)[C@H](C)Cc1ccc(NC(=O)NNC(=O)C(C)C)cc1	760084916	BZRGIIJEXOUQFP-LLVKDONJSA-N	321.377	1.847	50	20	DDGD	
COC(=O)CNC(=O)NN=CC1CCC(C(F)(F)F)CC1	767385330	ICXUWQYVGOCNRQ-UHFFFAOYSA-N	309.288	1.813	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)COC2(C)CCC2)c1	874950041	MLUYQGWFIBKYJJ-UHFFFAOYSA-N	317.414	1.945	50	20	DDGD	
CC#CCCNC(=O)NNC(=O)COc1ccccc1CC	776204120	BCVQQJOEIDJIQA-UHFFFAOYSA-N	303.362	1.372	50	20	DDGD	
Cc1cccc(NNC(=O)NC2CCC3(CC2)OCCO3)n1	875065001	RZWLQZPWUAUQRV-UHFFFAOYSA-N	306.366	1.702	50	20	DDGD	
Cc1cccc(NNC(=O)NC[C@H]2CC(=O)N(C(C)(C)C)C2)n1	875749264	YCMQMLFBHFEMDN-GFCCVEGCSA-N	319.409	1.663	50	20	DDGD	
COc1cc(C(=O)NN=C2CCO[C@H](C)C2)cc(OC)c1OC	773187893	QOLQCYVETFCLHI-SNVBAGLBSA-N	322.361	1.997	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCn2ncnc2C1	771625006	HZDSVKHNSMVILB-SECBINFHSA-N	301.188	1.430	50	20	DDGD	
O=C(NNC(=O)[C@H](O)Cc1ccccc1Cl)c1ccccc1	771848046	WFHNSVUNHXJNJU-CQSZACIVSA-N	318.760	1.705	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(Cl)c(C(=O)OC)c1	878245695	DCIFQXDYMLKSBL-UHFFFAOYSA-N	315.757	1.741	50	20	DDGD	
Cc1cc(=NNC(=O)NC2CCC3(CC2)OCCO3)cc[nH]1	875065093	VBPGBSVPMGQRJM-UHFFFAOYSA-N	306.366	1.124	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)C1(SC)CC1	873768709	BVAOIUDAHUFKHY-UHFFFAOYSA-N	311.432	1.908	50	20	DDGD	
C[C@@H]1C(=NNC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)CCN1C	872388236	ZLKVGMYQKHUQBW-YRGRVCCFSA-N	319.409	1.084	50	20	DDGD	
Cc1coc(C(=O)OCC(=O)NNC(=O)c2cccs2)c1C	1117164000	YHSXPBIBTKEJJH-UHFFFAOYSA-N	322.342	1.576	50	20	DDGD	
CNC(=O)NNC(=O)CSc1nc(-c2cccc(C)c2)no1	777849807	CNBMVAFJRRHQJW-UHFFFAOYSA-N	321.362	1.097	50	20	DDGD	
CNS(=O)(=O)[C@H]1CCCN(C[C@H](C)CBr)C1	770665703	GLQHXWRXZCHMQX-ZJUUUORDSA-N	313.261	1.031	50	20	DDGD	
C[C@H]1CC(=NNC(=O)C(=O)NCc2ccc(Cl)cc2)CN1C	771562709	QWCHAIIPMAQMRS-JTQLQIEISA-N	322.796	1.152	50	20	DDGD	
C[C@]1(COC(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@H]1Br	1123039415	OAWIIUYCLHFEOV-KBVBSXBZSA-N	319.199	1.494	50	20	DDGD	
CC(C)O[C@H](C(=O)NNC(=O)c1cccnn1)c1ccccc1	882058121	CSHQEVQIJSCUBC-AWEZNQCLSA-N	314.345	1.404	50	20	DDGD	
Cc1ccc2cccnc2c1S(=O)(=O)NNC(=O)NC(C)C	777929572	VTRPGOZUSNCEFL-UHFFFAOYSA-N	322.390	1.444	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cc(C)cc(C)n2)cc1	773625665	NFUHUXSFMYYPBX-UHFFFAOYSA-N	314.345	1.789	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cccc(NC(=O)N(C)C)c1	887144739	YBMZWAWGDHKJKJ-UHFFFAOYSA-N	316.361	1.345	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2ccc(O)c(C(=O)O)c2)c(O)c1	777433224	ZOGRIKKYGIDBHE-UHFFFAOYSA-N	314.297	1.868	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)[C@H]1C[C@H]1c1cccc(F)c1	882660143	MQDIYRYBAGGBTR-QWRGUYRKSA-N	302.327	1.262	50	20	DDGD	
COC(=O)Cc1cccc(C(=O)NNC(=O)NC2CCCC2)c1	777785578	VKXVKUKKCQPWLN-UHFFFAOYSA-N	319.361	1.289	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNC(=O)Cc2cccnc2)s1	888814401	BPQXJXWCFCEQIG-UHFFFAOYSA-N	304.375	1.088	50	20	DDGD	
CN(C)Cc1cccc(CNS(=O)(=O)CCCCl)c1	881780908	GPFGFMHBWKLUIL-UHFFFAOYSA-N	304.843	1.797	50	20	DDGD	
CCc1ccc(CCNC(=O)NNC(=O)c2cccnn2)cc1	883429546	YNHKALDZGJEUIM-UHFFFAOYSA-N	313.361	1.226	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N=c2cc[nH]c(C)c2)c1	780618699	CZGDXZHRQKUMHI-UHFFFAOYSA-N	300.318	1.747	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NNC(=O)c2ccccc2)cn1	781658966	FKCVTEIMAIVTCV-UHFFFAOYSA-N	321.358	1.104	50	20	DDGD	
N#C/C(=C/c1ccccc1)C(=O)OCCn1ccc([N+](=O)[O-])n1	785377840	AVONDULERBPBRZ-RAXLEYEMSA-N	312.285	1.942	50	20	DDGD	
C[C@@H]1CCN(S(=O)(=O)CBr)[C@@H]([C@@H](C)O)C1	785532753	YPHRTHZUJGLTFL-IWSPIJDZSA-N	300.218	1.150	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cn(C)nc2-c2ccoc2)o1	789976812	ZMHIOVZVUDAQDA-UHFFFAOYSA-N	314.301	1.656	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNc2ccc(F)c(F)c2F)n1	782017367	WATXTCPCGXXNNM-UHFFFAOYSA-N	310.235	1.355	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2csnc2C)cc1OC	781238137	ZCZGZKRNUSGVOK-UHFFFAOYSA-N	321.358	1.544	50	20	DDGD	
COc1ccc(OS(=O)(=O)CBr)c(C=O)c1	782396194	BMVKZIXLEGOEHT-UHFFFAOYSA-N	309.137	1.569	50	20	DDGD	
COCCOCc1cccc(NC(=O)NNC(=O)C2CCC2)c1	782556794	OBEYFVOOFASGTB-UHFFFAOYSA-N	321.377	1.802	50	20	DDGD	
O=C(Cc1ccc(Cl)s1)NNC(=O)C1CCOCC1	894101117	JVXDEWXBWOXKJU-UHFFFAOYSA-N	302.783	1.518	50	20	DDGD	
CN1CCC[C@H]1c1cc(C(=O)NNc2cccnc2Cl)n[nH]1	896903685	JFAWPMXQHGIUCZ-LBPRGKRZSA-N	320.784	1.982	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1ccc2ccccc2n1	790175445	ZHXFNODQKXCENB-UHFFFAOYSA-N	311.389	1.916	50	20	DDGD	
O=C(NNC(=O)c1ccnnc1)c1ccc(C(F)(F)F)cc1	791024580	YZFLFVRLTQCLIY-UHFFFAOYSA-N	310.235	1.570	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNC(=O)c1ccc(C#N)cc1	790546083	YDBPEYRFVUZUJJ-UHFFFAOYSA-N	324.340	1.735	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)c2cccc(C)n2)c1	794076096	DTSHPKKIPBJRFR-UHFFFAOYSA-N	313.357	1.792	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1F)c1ccc(O)nn1	790143647	QUCWDSCHAZOHJH-UHFFFAOYSA-N	304.281	1.241	50	20	DDGD	
Cc1nnsc1C(=O)Nc1cccc(NC(=O)NN(C)C)c1	798130108	IICRFWNZNIKRKM-UHFFFAOYSA-N	320.378	1.697	50	20	DDGD	
O=C(NCc1cccnc1)NNC(=O)c1cc2c(s1)CCC2	797357854	CFPRBLNUEUUYGW-UHFFFAOYSA-N	316.386	1.776	50	20	DDGD	
C[C@@H]1CCC[C@H](CNC(=O)NNC(=O)c2cnn(C)c2)[C@@H]1C	796635225	FHHGUIOYQQBCIK-IJLUTSLNSA-N	307.398	1.436	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccnn2-c2ccccc2)n1	792643293	PWYVJGOYMZILBU-UHFFFAOYSA-N	323.360	1.485	50	20	DDGD	
C[C@H]1CCC[C@@H]1CNC(=O)NNC(=O)COc1ccc(F)cc1	798510650	ADBFFRSQEQWRIW-NWDGAFQWSA-N	323.368	1.971	50	20	DDGD	
Cc1nn(-c2ccc(F)cc2F)c(C)c1C=NNC(=O)CCO	1319365306	QASFNLMBWOKJDQ-UHFFFAOYSA-N	322.315	1.600	50	20	DDGD	
CCn1nc(C(=O)NNc2ccc(C)c(Cl)c2)ccc1=O	1318394120	NFCABTWUWYUNRY-UHFFFAOYSA-N	306.753	1.982	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1cnc(C2CC2)[nH]1	1320774908	KZORQYLYMVPPOJ-UHFFFAOYSA-N	314.345	1.387	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2cccnc2Cl)n1	1322603362	UWIQRQIQBRSAPC-UHFFFAOYSA-N	305.725	1.247	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc(-n2cccn2)c(F)c1	1326563768	SPKRRKDKDOYWRB-UHFFFAOYSA-N	321.381	1.529	50	20	DDGD	
Cc1ccc(CO[C@@H](C)C(=O)NNC(=O)c2ccc[nH]2)cc1	1329159328	MRPPTUMJCVLZBQ-LBPRGKRZSA-N	301.346	1.689	50	20	DDGD	
CC(C)N(C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br)C1CC1	1334705052	WDQOGBXKIAFQIA-GXFFZTMASA-N	317.227	1.676	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cnc(-c2ccco2)s1	1251620006	QKYPUJACKVDTPJ-UHFFFAOYSA-N	310.404	1.920	50	20	DDGD	
CCc1ncoc1C(=O)NNC(=S)NCCc1cccs1	1338610822	YUMONFXHACJHNR-UHFFFAOYSA-N	324.431	1.650	50	20	DDGD	
CC[C@@]1(C(=O)NNc2nc[nH]n2)CCN(C(=O)OC(C)(C)C)C1	1345042976	ODKHXGAUADIHIZ-CQSZACIVSA-N	324.385	1.285	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H]1CC[C@@H]2C[C@H](C)CN2C1	1527391830	XWKITBCAFHOXFC-NWANDNLSSA-N	315.417	1.876	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21	1606860866	BUNJSEFWUZIQCL-FYGCWZCISA-N	310.361	1.602	50	20	DDGD	
Cc1cc(CCC(=O)NNc2cccc(C(=O)O)c2C)n[nH]1	1607638250	PDWBBFYRXLRONU-UHFFFAOYSA-N	302.334	1.801	50	20	DDGD	
Cc1c(NNC(=O)c2cc(C(=O)O)no2)cccc1[N+](=O)[O-]	1600056176	WQWUWPCECCNRJS-UHFFFAOYSA-N	306.234	1.346	50	20	DDGD	
Cc1oc(C2CC2)nc1C(=O)NNc1ccc(C(=O)O)cn1	1608043102	JKEYGUPMMGMKOG-UHFFFAOYSA-N	302.290	1.711	50	20	DDGD	
Cn1c(C#N)ccc1C(=O)NNc1ccc(C(=O)O)c(F)c1	1600899359	KCPNZOIUJRBJQY-UHFFFAOYSA-N	302.265	1.491	50	20	DDGD	
Cc1nccn1CCCC(=O)NNc1ccccc1C(=O)O	1600757501	ZEBCFUNVFKXEGG-UHFFFAOYSA-N	302.334	1.813	50	20	DDGD	
CN(C)[C@@H]1CCC[C@H](C(=O)NNc2cccc(C(=O)O)c2)C1	1606018571	AJQQOCBRNRQJAV-SMDDNHRTSA-N	305.378	1.948	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@@H](C(=O)O)[C@@H]1C	1608009789	ZQQVIRSJINWQQV-GXSJLCMTSA-N	313.785	1.674	50	20	DDGD	
CC(C)C[C@@H](CNC(=O)NNc1ncncc1Cl)C(=O)O	1603010727	SSCYROCZRYJXDU-QMMMGPOBSA-N	315.761	1.503	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)C(F)(F)C2CCOCC2)nc1	1610835495	KOCJRKGHMQLWFT-UHFFFAOYSA-N	315.276	1.285	50	20	DDGD	
C=CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cl)COC)C2	1802316036	HICFWILVWKUPGL-RNJOBUHISA-N	314.813	1.455	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@@H]1CN[C@H]1CCC(=O)N(C)[C@@H]1c1ccnn1C	1550667839	ASGIYVHABUQDNW-TVMMDAIPSA-N	310.829	1.545	50	20	DDGD	
CCc1ccsc1C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1578550898	LYSWHIIMRWNSAB-UHFFFAOYSA-N	315.362	1.643	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)c1cnc(C2CCNCC2)o1	1580737552	SZZDOYMPBQZFRW-UHFFFAOYSA-N	321.768	1.947	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@H]1CCC[C@H](C(=O)O)C1	1589831623	COMQSSTXLKRSQA-IUCAKERBSA-N	301.412	1.171	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)c2ccns2)C1	1842322157	ITCUXAFJWYYRRZ-SECBINFHSA-N	317.773	1.495	50	20	DDGD	
CC(F)(F)C1(C(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1	1589906481	FWHOEWRYBLQVPH-UHFFFAOYSA-N	308.292	1.745	50	20	DDGD	
CCCCC=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	1590584081	RBBXDOIQJOQVHK-UHFFFAOYSA-N	302.338	1.538	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)c1cc[nH]n1	1593162228	QCHRDPYDCGHTQZ-UHFFFAOYSA-N	304.701	1.000	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1OC[C@@H]2CCC[C@@H]21	1593164828	ORJSBCDZFHWGEI-WCFLWFBJSA-N	314.349	1.125	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1cccc(C(=O)O)c1	1594780466	RIRKOAYKKYCXPP-UHFFFAOYSA-N	300.274	1.246	50	20	DDGD	
CN(NC(=O)c1ccc(OCC(=O)O)cc1)c1ccccn1	1598542201	ZMJOZIQPGYORAX-UHFFFAOYSA-N	301.302	1.326	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@@H](O)C1CCC1	1593161071	HRUBEJUOJCFMHI-NSHDSACASA-N	322.756	1.124	50	20	DDGD	
COc1ccc(C(=O)NN[C@H](C(=O)O)c2ccsc2)cc1	1599483884	KWJTUKUKSGZUPU-LBPRGKRZSA-N	306.343	1.817	50	20	DDGD	
Cc1cccnc1/C=C/C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1592263369	CTQDISCHJPRMHC-FNORWQNLSA-N	322.332	1.122	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@]2(C(=O)O)CC2(C)C)ccc1F	1593882722	SYGVVGFIBBEQEC-OAHLLOKOSA-N	324.308	1.556	50	20	DDGD	
O=C(O)C1(C(=O)NNc2cc(Cl)ccn2)CCSCC1	1594865085	UCEITJRISSRKOJ-UHFFFAOYSA-N	315.782	1.776	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2cc(C(=O)O)cn2C)cs1	1776029227	YPMDURJZRIFMJQ-UHFFFAOYSA-N	306.347	1.181	50	20	DDGD	
CN(C)c1ccc(C(=O)NNc2cnc3ccccc3n2)cn1	163488475	JSLIIQRKUOLKQN-UHFFFAOYSA-N	308.345	1.848	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)C(=O)NNC(=O)c1ccc(Cl)nc1	153855988	RQHGPUUSWMHSCZ-SSDOTTSWSA-N	322.752	1.905	50	20	DDGD	
O=C(NNc1nccc(N2CCOCC2)n1)c1ccsc1	155568356	TYYDPAVRZHKVNM-UHFFFAOYSA-N	305.363	1.132	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)cn1	156426158	SXJHLSKDOKOWFJ-GHMZBOCLSA-N	320.299	1.263	50	20	DDGD	
O=C1CN(CCI)[C@@H]2CCCC[C@H]2N1	190936530	GFTCKYUJIIZVFO-RKDXNWHRSA-N	308.163	1.164	50	20	DDGD	
CN(CCCN1CCCC1=O)NC(=O)OCc1ccccc1	859387671	GCOOFEFKIGHRBK-UHFFFAOYSA-N	305.378	1.772	50	20	DDGD	
COCc1noc(CN(C)NC(=O)OCc2ccccc2)n1	859386346	LWJJWERRXOFFNX-UHFFFAOYSA-N	306.322	1.489	50	20	DDGD	
CN(C[C@H]1CC2(CC2)C(=O)O1)NC(=O)OCc1ccccc1	859386370	NEYNHEQOHDUZJO-CYBMUJFWSA-N	304.346	1.855	50	20	DDGD	
Cc1nnsc1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	7960560	KHYOLAXEWPEUCP-QMMMGPOBSA-N	324.337	1.214	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1csc2c1CC[C@@H](C)C2	109858824	USFNHHQQWZMTJT-MRVPVSSYSA-N	318.402	1.979	50	20	DDGD	
C[C@H]1CCCN(C[C@@H](C)NC(=O)NNC(=O)CC(C)(C)C)C1	103310063	KOZYGXHXTODOSH-QWHCGFSZSA-N	312.458	1.873	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNC(=O)c1ccccc1C)C1CCCC1	55082289	BFNINHHBPDDERG-HNNXBMFYSA-N	317.389	1.451	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc(O)nc2ccccc12	109858876	HUAGUJRRNCDHNT-UHFFFAOYSA-N	311.301	1.047	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CCc2ccccc2)c1O	54163650	JZEPBOYLEDPWTO-UHFFFAOYSA-N	314.341	1.795	50	20	DDGD	
Cc1ccccc1[C@H](C)CC(=O)NNC(=O)c1c[nH]nc1C	116195023	JXQHHVSURHLHKT-LLVKDONJSA-N	300.362	1.981	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C[C@H](O)c2cccc(F)c2)n1	179639414	FHCDBWLQHIRRMW-ZDUSSCGKSA-N	304.325	1.799	50	20	DDGD	
CC(C)Cn1cnc(S(=O)(=O)NNC(=O)c2ccccc2)c1	174913591	BNMDZECXDNNTOL-UHFFFAOYSA-N	322.390	1.162	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C#Cc2ccccc2)c1	174887416	WIBKVHDONMPNFB-UHFFFAOYSA-N	322.364	1.881	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCC(=O)Nc1ccc(Cl)cc1	178959677	SPGDLHCMLKXQOB-MDZDMXLPSA-N	307.737	1.839	50	20	DDGD	
C[C@@H](Oc1cccnc1)C(=O)NNC(=O)Cc1ccccc1F	117658964	NTAXMHQEQYCWHP-LLVKDONJSA-N	317.320	1.378	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)CC[C@@H]1CCOC1	177656370	YRMIUTMHLYTGKX-GFCCVEGCSA-N	316.361	1.220	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cccc(CN2CCCC2)c1	65191673	VWEFZNFCDQJKLE-UHFFFAOYSA-N	316.405	1.636	50	20	DDGD	
O=C(CCCNC(=O)NC1CCCCC1)NNc1cnccn1	114881462	XZRPPRDZHWLPKU-UHFFFAOYSA-N	320.397	1.332	50	20	DDGD	
O=C(NCCc1cscn1)NNc1cccc([N+](=O)[O-])c1	178549766	YIMXNMQSCFQRPL-UHFFFAOYSA-N	307.335	1.920	50	20	DDGD	
O=C1C[C@H](C(=O)NNC(=O)NC2CCCC2)c2ccccc2N1	68283648	XFWDYKNMMGZGKJ-LBPRGKRZSA-N	316.361	1.385	50	20	DDGD	
O=C(NNc1cccnn1)c1ccc(Br)cc1O	172366782	WJNYHCMYTWRNEW-UHFFFAOYSA-N	309.123	1.702	50	20	DDGD	
O=C(COc1ccc(F)cc1F)NNC(=O)c1ccccc1	24559227	RTTPEUHDEPGBCZ-UHFFFAOYSA-N	306.268	1.805	50	20	DDGD	
Cc1ncc(/C=C/C(=O)NNC(=O)c2cccc(C#N)c2)s1	112245517	JXGISCHOPIERKC-AATRIKPKSA-N	312.354	1.798	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)CC(C)(C)C)c1nnc2ccccn12	171564565	VWJNTKVGWMODNN-JTQLQIEISA-N	318.381	1.557	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1cccc([N+](=O)[O-])c1O	128819283	XVDLNXUOPAELPO-UHFFFAOYSA-N	307.306	1.642	50	20	DDGD	
CC(C)[C@H](CC(=O)NNC(=O)Cc1cc[nH]n1)c1ccccc1	186122842	WMOWFYRMJNCYEA-HNNXBMFYSA-N	314.389	1.930	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNc2ccccn2)cc1	181407196	VUZSUOMYYTYAOV-UHFFFAOYSA-N	300.318	1.562	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1	122659109	BWZRZENOELUDSK-QMMMGPOBSA-N	320.317	1.166	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cccn2C)cc1F	184069273	YBLACBXSZPKPMC-UHFFFAOYSA-N	306.297	1.639	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1F	181490559	OLDFHFOWTATIPB-UHFFFAOYSA-N	318.264	1.816	50	20	DDGD	
CC(=O)Nc1cccc(C(=O)NNC(=O)c2cccnc2)c1C	188212801	PKYGPGLFOVIMGK-UHFFFAOYSA-N	312.329	1.423	50	20	DDGD	
Cc1cc(OC(=O)C[C@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-]	122324449	HLHRWEGUHGOXKD-SNVBAGLBSA-N	313.331	1.633	50	20	DDGD	
CC(C)(C)OC(=O)NC(C)(C)C(=O)NNc1ccnc(F)c1	182467518	AUOMCHJCMQBYSL-UHFFFAOYSA-N	312.345	1.967	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNc1cccc(OC)n1	180740333	LEXRHNRFNGPKGM-UHFFFAOYSA-N	304.350	1.889	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2ccc(C)c(F)c2)nc1	124284655	SEEDKNDWSDNPJM-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
COC(=O)NNC(=O)Nc1cccc(-n2nc(C)cc2C)c1	125257070	XRRIKJJUZQLXNI-UHFFFAOYSA-N	303.322	1.882	50	20	DDGD	
CC(=O)Nc1cc(NC(=O)NNC(=O)c2ccc[nH]2)ccc1C	184060053	HKEOTHGHNJIQQS-UHFFFAOYSA-N	315.333	1.748	50	20	DDGD	
CCO[C@H]1C[C@@](N)(C(=O)NNc2ccccc2[N+](=O)[O-])C1(C)C	187192156	MOCGDTKKGDGMBH-SWLSCSKDSA-N	322.365	1.570	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Nc2cc(F)c(F)cc2F)cn1	185036196	GBHZWKAWICOSTE-UHFFFAOYSA-N	313.239	1.304	50	20	DDGD	
CC(C)OCCCCNC(=O)NNC(=O)c1ccc(C#N)cc1	181876170	AIHYKLMGMXFZEM-UHFFFAOYSA-N	318.377	1.707	50	20	DDGD	
O=C(C[C@H]1CCCO1)NNC(=O)c1ccc(Cl)cc1F	81029164	BFYYLDFYIVUWOI-SECBINFHSA-N	300.717	1.809	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl	190052356	RINLNQYNFSRNNT-JGVFFNPUSA-N	314.744	1.501	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	192053869	KWKBNCHOLBJHDI-UHFFFAOYSA-N	301.346	1.193	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)Cc2ccncc2)cc1	81026436	SFUOPWMPXQCOPJ-UHFFFAOYSA-N	313.357	1.413	50	20	DDGD	
C[C@]1(NNC(=O)Nc2ccccc2Cl)CCS(=O)(=O)C1	48908795	BEVKQJBWAHQWSO-LBPRGKRZSA-N	317.798	1.543	50	20	DDGD	
O=C(NNc1ccccc1OC(F)(F)F)c1ccc[n+]([O-])c1	190167955	BLYARAQICIYHBP-UHFFFAOYSA-N	313.235	1.976	50	20	DDGD	
Cc1oc(-c2ccccc2F)nc1C(=O)NNC(=O)CN(C)C	131043378	FRQYLIAFLKKLLP-UHFFFAOYSA-N	320.324	1.112	50	20	DDGD	
COCCOCCC(=O)NNc1ccc(C(F)(F)F)cn1	131655573	WLZWCKWUPYOTCU-UHFFFAOYSA-N	307.272	1.597	50	20	DDGD	
C=CCNC(=S)NNC(=O)C[C@@H](C)c1cccc(OC)c1	84716321	NYRVCLYYHFEADX-LLVKDONJSA-N	307.419	1.870	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1	194928450	ZNETZCQIDNWROJ-UHFFFAOYSA-N	308.319	1.726	50	20	DDGD	
CC(C)(C)n1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)nn1	191216943	ZLLLUCKWMLNFST-SVTZGKHISA-N	303.366	1.235	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNc2nc3ccccn3n2)c1	191927341	DODXICDXAIOHRB-UHFFFAOYSA-N	311.301	1.273	50	20	DDGD	
COc1ccnc(NNC(=O)c2cn(C)nc2-c2ccccc2)n1	91091349	NPXLPHLFMQHIOO-UHFFFAOYSA-N	324.344	1.643	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H](C)c1cccs1	94121080	CNMYMERHTSGPJB-QMMMGPOBSA-N	303.478	1.710	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=O)c1ccc(C#N)cc1	245200538	BMSGJFWUUPCDMA-FRRDWIJNSA-N	314.389	1.581	50	20	DDGD	
O=C(NN=Cc1ccc(O)c(O)c1)[C@H]1COc2ccccc2O1	254516565	WQUVDUXLFXZBEL-OAHLLOKOSA-N	314.297	1.388	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1cc([N+](=O)[O-])ccc1OC	255668913	DMEFCJZPLSGFRZ-LUAWRHEFSA-N	305.290	1.664	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC(C(=O)NNc2cnccn2)CC1	265225909	XSJSSDBBOYDZGN-UHFFFAOYSA-N	321.381	1.567	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C1Cc2ccccc2C1	277851872	CLAMNRCDOSTFCJ-UHFFFAOYSA-N	324.380	1.800	50	20	DDGD	
Cc1nnc(NC(=O)NNC(=O)C(C)(C)c2ccccc2)s1	273433274	PKEGHANOHBLBOM-UHFFFAOYSA-N	319.390	1.977	50	20	DDGD	
COCCOCCC(=O)NNc1cccc(F)c1[N+](=O)[O-]	279380726	QQEPKMWBMIBZAD-UHFFFAOYSA-N	301.274	1.230	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCC2CCN(C3CC3)CC2)n1	278077026	GRTXXMVYSFVCQZ-UHFFFAOYSA-N	318.425	1.594	50	20	DDGD	
CSc1nnc(CNC(=O)NNc2ncccc2C)s1	276829464	VZVPGSANHBJQPE-UHFFFAOYSA-N	310.408	1.790	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@@H](C)N)ccc1OCCC(C)C	272268589	ASIQTPXCNSBKKV-LLVKDONJSA-N	323.393	1.228	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCO1	271809378	BHDVKNIKJMTXSI-MWLCHTKSSA-N	307.306	1.171	50	20	DDGD	
O=C(CCC(F)(F)F)NNC(=O)CSc1ccccc1O	270725835	SIUXBWQAVZIELB-UHFFFAOYSA-N	322.308	1.974	50	20	DDGD	
COCCCCCNC(=O)NNc1cccc(C(=O)OC)c1	272553964	FRLBGLXVEPSOJF-UHFFFAOYSA-N	309.366	1.916	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccccc1F)[C@@H]1CCCCO1	272021464	RVEAVWWHRKWYKY-MFKMUULPSA-N	309.341	1.727	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Cc1ccc(C#N)cc1	278717743	UEFZUYXJNORSGC-UHFFFAOYSA-N	319.361	1.037	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(-n2nc(C)cc2C)nc1	286304542	KBAJOXZLLMXLBT-UHFFFAOYSA-N	303.322	1.227	50	20	DDGD	
CCn1c(NNC(=O)[C@H](OC)C2CC2)nc2ccccc2c1=O	280823981	NOCIHVAUAWBJRF-CYBMUJFWSA-N	316.361	1.285	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(C)[C@H](CC(N)=O)c1ccccc1	280373865	YNKPLXMISBQLAM-YPDDLIOESA-N	301.346	1.505	50	20	DDGD	
CSSCCNC(=O)c1cn(C)nc1-c1cnn(C)c1	375229077	PQTABDVCYNDAHD-UHFFFAOYSA-N	311.436	1.562	50	20	DDGD	
COCCCn1nccc1/C=C(\C#N)C(=O)Nc1nccs1	282670485	OXRLFIOYJUOMDY-PKNBQFBNSA-N	317.374	1.922	50	20	DDGD	
COC(=O)N(C)NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1	286535261	YLFHMOOLGFDJSG-VOTSOKGWSA-N	324.333	1.455	50	20	DDGD	
CS[C@H](C)CNC(=O)NNc1ccc(-n2ccnc2)nn1	286566022	BMWCKAQETXTMNB-SECBINFHSA-N	307.383	1.040	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)O1	282868875	RJLQHBICIQPXCI-QWHCGFSZSA-N	319.361	1.039	50	20	DDGD	
Cc1nc(C2CC2)ccc1C(=O)NNC(=O)[C@H]1CCCCO1	295316519	GGTPRRHNDQMGIA-CQSZACIVSA-N	303.362	1.598	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc3oc(O)nc3c2)n1	806438258	YBIHRJZUDNPLCS-UHFFFAOYSA-N	301.262	1.089	50	20	DDGD	
O=C(NCCCO[C@H]1CCOC1)NNc1ncc(F)cc1F	297949437	MJONYUBZOIVQBX-JTQLQIEISA-N	316.308	1.182	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNC(=O)[C@@H]1CCCO1)c1cccnc1	292816781	AMXLGDGJDZAEMZ-KBPBESRZSA-N	320.393	1.331	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCSC1)[C@@H]1COc2ccccc2O1	809950593	TXLHDRNZWXQRMD-GWCFXTLKSA-N	322.386	1.117	50	20	DDGD	
Cn1nncc1CNC(=O)NNc1cc(Cl)ccc1Cl	807615467	SDVGCGJEIJEGCH-UHFFFAOYSA-N	315.164	1.948	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1cnc2[nH]c(O)nc2c1	809769595	PLRURQFAHZMXKT-UHFFFAOYSA-N	301.281	1.868	50	20	DDGD	
CS(=O)(=O)Nc1cccc(C(=O)NNc2cccc(F)n2)c1	804770976	BLDLPHQBMLVTPV-UHFFFAOYSA-N	324.337	1.349	50	20	DDGD	
O=C(NNS(=O)(=O)c1cnc2ccccc2c1)C1CCCC1	800833225	LUUSGDPOBRIOMC-UHFFFAOYSA-N	319.386	1.735	50	20	DDGD	
C[C@H](NC(=O)NNc1ncncc1F)C(=O)N1CCCC[C@@H]1C	292840368	YJSPVXWQKYUECW-UWVGGRQHSA-N	324.360	1.031	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](CC(=O)OC)c1ccc(F)cc1	294424182	GCLTYEIKBJBTFH-WONIAPNHSA-N	320.320	1.990	50	20	DDGD	
O=C(NNc1cccc(F)n1)Nc1cccc(-n2ccnn2)c1	806359386	XTJALJPJRUODFU-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
C[C@H](C(=O)NNc1nccnc1C1CCC1)c1cnn(C)c1	805460165	STIKOGYWEKKTCE-JTQLQIEISA-N	300.366	1.724	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2c(C)cccc2F)ccn1	806984125	XSJNAXBOUCKKOE-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
COC(=O)Nc1cccc(C(=O)NNC(=O)[C@H]2CCCCO2)c1	295369598	JXVYHVHBLWIATR-GFCCVEGCSA-N	321.333	1.195	50	20	DDGD	
C[C@]1(CNC(=O)NNc2cccnn2)OCCc2sccc21	291364488	ZAWAKOXPFRMROJ-CQSZACIVSA-N	319.390	1.652	50	20	DDGD	
Cn1cc(C(=O)NNc2ccccc2[N+](=O)[O-])c(C2CC2)n1	291386389	BYCOCTXSBFLAMY-UHFFFAOYSA-N	301.306	1.963	50	20	DDGD	
Cc1[nH]c(C=NNC(=O)CCc2ccccc2O)cc1C(=O)O	800812361	CQSMJAVSLLNBKZ-UHFFFAOYSA-N	315.329	1.810	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1cn(C)c(C)n1	800805102	PJFGNPBIGLIJEV-HNNXBMFYSA-N	314.345	1.409	50	20	DDGD	
CSSCCNC(=O)CCN/C(O)=C1/N=CC=CC1=O	803472325	ZMPCXZOQSHETDX-QXMHVHEDSA-N	315.420	1.030	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NN=Cc2cn(C)nc2O)c1C	814215756	VIXKYLPMVZVURU-GFCCVEGCSA-N	316.361	1.660	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CCOc2c(Cl)cccc21	814777192	QGSGGVKNKQPCEL-UHFFFAOYSA-N	309.753	1.467	50	20	DDGD	
CC(C)OC1CC(=NNC(=O)Cc2cn3ccccc3n2)C1	814864259	WXYIMORARLUUFM-UHFFFAOYSA-N	300.362	1.936	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCCCC(=O)O)cc1	818240022	HWAYUYNDQRXMBL-JLHYYAGUSA-N	302.330	1.973	50	20	DDGD	
Cn1cncc1CNC(=O)NNC(=O)c1ccc2ccccc2n1	811924804	JQZFKFHZUQRJEV-UHFFFAOYSA-N	324.344	1.113	50	20	DDGD	
Cc1c(C(=O)NN(C)C2CC2)sc2nc3n(c(=O)c12)CCC3	819642713	NBUYAAQEUDWZPR-UHFFFAOYSA-N	318.402	1.452	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1nc2c(s1)CCCC2	815002914	WPHBEANKXJLPHE-UHFFFAOYSA-N	301.375	1.994	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)c2cncs2)c1	816406052	DHSDJVKUXRURLO-UHFFFAOYSA-N	305.363	1.994	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CCc1cncs1	814409805	WVNGSMRAGJOCDB-UHFFFAOYSA-N	305.359	1.546	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1ccc(-n2ccnc2)cc1	815000484	KKINOXAUVXNBKC-UHFFFAOYSA-N	306.329	1.845	50	20	DDGD	
O=C(Cc1ccc(F)c(Br)c1)NNc1nc[nH]n1	816634322	DWGNHRXPPXCSMH-UHFFFAOYSA-N	314.118	1.392	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1ccccc1Br	814954845	QFXKLPDXZFKYMB-UHFFFAOYSA-N	307.151	1.865	50	20	DDGD	
CC(=O)CCC(=O)NNC(=S)Nc1ccc(N(C)C)cc1	729690848	MJCUPSAMPMCBQQ-UHFFFAOYSA-N	308.407	1.439	50	20	DDGD	
O=C(CCc1cccnc1)NNC(=O)c1cccc(Cl)n1	725897101	VARBPTARFIYCKD-UHFFFAOYSA-N	304.737	1.524	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NCCCc2ccco2)n1	823652876	WMNXZJJHZPFDGB-UHFFFAOYSA-N	319.365	1.056	50	20	DDGD	
COc1nc(N(C)C)sc1C=NNC(=O)Cc1cccnc1	728784503	KZYQBUUMTQOAHM-UHFFFAOYSA-N	319.390	1.306	50	20	DDGD	
CCO[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cnn(C)c1	491177581	XSILZWKQISKZLK-ISJXMTRFSA-N	302.378	1.791	50	20	DDGD	
CCCCN1CCC(NC(=O)/C(C#N)=C/c2cnn(C)c2)CC1	491080303	CVLAHUCEOJTQOK-XNTDXEJSSA-N	315.421	1.708	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)/C=C/CN(C)CC(F)(F)F)o1	492873499	YDFIVJJPKACPLB-ONEGZZNKSA-N	319.283	1.399	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](CC)C(=O)NC)cc1	491008175	HNHOWYYTMMWGMX-WVUXNXBLSA-N	315.373	1.633	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)NCc1cc(C)cc(C)c1	821742656	LUYFXYZDLSDOEI-ZDUSSCGKSA-N	323.393	1.185	50	20	DDGD	
CSCCCCCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	826537100	IGXZWEPCHNOPGJ-MNOVXSKESA-N	303.428	1.275	50	20	DDGD	
COC(=O)NNC(=O)CC1(CNC(=O)OC(C)(C)C)CC1	496817607	RINIHDBVSIXZCG-UHFFFAOYSA-N	301.343	1.069	50	20	DDGD	
C=C[C@](C)(O)c1cn(C(=C)CI)nn1	900641103	KGKAVSVYVZXGFC-VIFPVBQESA-N	305.119	1.577	50	20	DDGD	
CC1(C)C[C@H](Cc2nc(-c3cccc(B(O)O)c3)no2)CCO1	585054075	ROGUGLWQLFHLOJ-NSHDSACASA-N	316.166	1.164	50	20	DDGD	
CN(NC(=O)c1ccc(-c2nn[nH]n2)s1)c1ccccc1	821618951	CKRLQMWYRZRLIU-UHFFFAOYSA-N	300.347	1.709	50	20	DDGD	
CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](B(O)O)C1	585064203	NPPZDBBBROJRMZ-SECBINFHSA-N	324.167	1.396	50	20	DDGD	
OB(O)c1ccccc1CNCc1nc(C(F)(F)F)cs1	585025109	LXOTWKUQUDACRY-UHFFFAOYSA-N	316.113	1.132	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)OC(C)(C)C)CCOCC1	497045311	QHUGKTZIIMUHLS-UHFFFAOYSA-N	301.387	1.932	50	20	DDGD	
CN(C)CCN(C)CCCNC(=O)[C@@]1(C)C[C@H]1Br	908240483	WBDWBSQSULIQLB-YPMHNXCESA-N	320.275	1.160	50	20	DDGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)[C@@H](O)C1CC1	827466987	LVOYFXYXGLJDBX-JTQLQIEISA-N	308.725	1.604	50	20	DDGD	
CN(NC(=O)C1CCN(CC(F)F)CC1)C(=O)OC(C)(C)C	496209825	ZLIAITUUGJUOCV-UHFFFAOYSA-N	321.368	1.862	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cnn(C)c1)c1ccccc1	735417271	SUNDLMXAJKBZGL-JTQLQIEISA-N	303.391	1.290	50	20	DDGD	
CN(C[C@@H]1CCCC[C@@H]1O)C(=O)/C(C#N)=C/c1cnn(C)c1	491010482	MLMWBTQIONQYHI-OWHVROTLSA-N	302.378	1.337	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1ccc(-c2coc(C)n2)cc1	735265871	MZIWQDXWGBIPMF-UHFFFAOYSA-N	309.347	1.370	50	20	DDGD	
CC(C)N(CCNC(=O)/C(C#N)=C\c1cnn(C)c1)C(C)C	491044825	DDHBYXSHOZAWOQ-NVNXTCNLSA-N	303.410	1.562	50	20	DDGD	
CN(NC(=O)c1cc(N(C)C)cc(C(F)(F)F)c1)C(N)=O	831519025	JHSGVCDCSQVMOC-UHFFFAOYSA-N	304.272	1.427	50	20	DDGD	
O=C(O)Nc1ccc(C(=O)NNC(=O)Cc2ccccn2)cc1	738661207	QNOOIPIJLQSYFK-UHFFFAOYSA-N	314.301	1.175	50	20	DDGD	
C[C@H]1CC(=NNC(=O)Cc2nc3ccccc3n2C)[C@@H](C)O1	834926167	ILJLZOPPFMSDEA-WDEREUQCSA-N	300.362	1.785	50	20	DDGD	
CC(C)N(CC(=O)NN=c1cc[nH]cc1)C(=O)OC(C)(C)C	831868561	XFDYMIYSFIZYIJ-UHFFFAOYSA-N	308.382	1.592	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2C[C@H]2C(=O)O)c(C)c1	738628406	QTGRHBAPCQLPOB-VHSXEESVSA-N	307.375	1.342	50	20	DDGD	
CC(C)[C@@H](NC(=O)O)C(=O)NNC(=O)CCCc1ccccc1	736376284	SVTWHFHCBCPCMR-CQSZACIVSA-N	321.377	1.449	50	20	DDGD	
CCN1CCc2c(cccc2NCc2ccccc2B(O)O)C1	585033605	HWJQSVBSLRBCEP-UHFFFAOYSA-N	310.206	1.357	50	20	DDGD	
CC(C)(CC#N)CNC(=O)NNc1cccc(S(C)(=O)=O)c1	838753751	PNXJASDBHBGJFR-UHFFFAOYSA-N	324.406	1.656	50	20	DDGD	
COc1cc(C2(C(=O)N3CC[C@@H](B(O)O)C3)CCC2)ccc1C	585072467	NHHISKSIMJQYKA-CQSZACIVSA-N	317.194	1.501	50	20	DDGD	
CN1CCCC[C@@H]1C(=O)NNc1ccccc1S(C)(=O)=O	732304777	UCLHHRQMRUNEQN-GFCCVEGCSA-N	311.407	1.018	50	20	DDGD	
CC(=O)N1CCC(C(=O)NNc2cccc(C(=O)O)c2)CC1	833393891	VJIRBIYOJLGPGE-UHFFFAOYSA-N	305.334	1.086	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21	906539703	JAWHKSHQSMDOOI-VBNZEHGJSA-N	300.358	1.382	50	20	DDGD	
O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1cc(B(O)O)ccc1F	584951142	IMDXYHQSMAWYEY-NQBHXWOUSA-N	305.158	1.204	50	20	DDGD	
C[C@@H](C#N)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	736677218	XEFMQAFRAWOEJI-ZETCQYMHSA-N	303.290	1.286	50	20	DDGD	
C=CCC[C@@H](NS(=O)(=O)CBr)C(=O)OCC	832549455	CHSPXPILEZCBBS-MRVPVSSYSA-N	314.201	1.156	50	20	DDGD	
Cc1c(F)ccc2c1N(CC(=O)NNC(=O)C1CC1)CCC2	832756759	TZGFXSVYIAALFW-UHFFFAOYSA-N	305.353	1.444	50	20	DDGD	
CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1cc(B(O)O)ccc1F	585002040	KYKHMOXJNIJDFX-JSGCOSHPSA-N	307.174	1.450	50	20	DDGD	
C=C(CI)n1cc(COC(=N)O)nn1	900641401	RSQQFLQTIQOFAS-UHFFFAOYSA-N	308.079	1.193	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H](CC(C)C)C(N)=O	839719682	XBEXANJFLNRXIW-LLVKDONJSA-N	307.350	1.064	50	20	DDGD	
O=S(=O)(c1ccc2ccccc2c1F)N1CC[C@@H](B(O)O)C1	585055578	BBWLXVCTXWRGOD-LLVKDONJSA-N	323.154	1.216	50	20	DDGD	
O=C(C[C@H]1CC(=O)N1)NNc1ccc(Br)c(F)c1	832356103	DDWFQJMWBBWIGF-SSDOTTSWSA-N	316.130	1.310	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C[C@@H](C)c2cnn(C)c2)n1	839747153	FMBCSALAWBKIQO-SNVBAGLBSA-N	301.350	1.078	50	20	DDGD	
C#Cc1ccc(C(=O)NNc2nc3ccccc3c(=O)n2C)nc1	733260941	SNJIWPPJMRQYQU-UHFFFAOYSA-N	319.324	1.067	50	20	DDGD	
CC(C)OCCNC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836396499	IRIRADQQJUSMBM-UHFFFAOYSA-N	324.337	1.176	50	20	DDGD	
C[C@](O)(CNCc1cccc(B(O)O)c1)c1cccc(Cl)c1	585036332	HTQVAZLKSWOLEE-INIZCTEOSA-N	319.597	1.017	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(N(C)C)n1	831578718	SYHJODDINGCKMU-GHMZBOCLSA-N	321.381	1.034	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCSc2ccccc21)[C@H]1CCCCO1	833246950	VPQQZNRLKKTWLD-CHWSQXEVSA-N	320.414	1.983	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)[C@@H]2CCCCO2)nc1C	838750335	BGRYYNFTOCEMSA-ZDUSSCGKSA-N	306.366	1.098	50	20	DDGD	
Cc1ncc(CO)c(C=NNC(=O)NC2CCCCC2)c1O	916299489	NDWBTANCAUWXSA-UHFFFAOYSA-N	306.366	1.554	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)Cn1cc([C@H](C)O)nn1	836932696	CFWXVGYMDMVXAW-VIFPVBQESA-N	309.757	1.437	50	20	DDGD	
CC(=NNC(=O)c1c[nH]nc1C)c1ccc(O)c([N+](=O)[O-])c1	749622233	SAEJHXGBMFPODY-UHFFFAOYSA-N	303.278	1.486	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1cc(C(C)(C)C)ccc1OC	842573447	KQSMJIXIAWAPIF-UHFFFAOYSA-N	316.379	1.542	50	20	DDGD	
Cc1nn(C)c(C)c1[C@H](C)C(=O)NNC(=O)CC(F)(F)F	746876349	IHVVDTCMRLZSEJ-LURJTMIESA-N	306.288	1.240	50	20	DDGD	
Cc1cc(C=NNC(=O)c2cnccn2)ccc1-n1cncn1	743434789	ZLIUOXYEPCRRNH-UHFFFAOYSA-N	307.317	1.130	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1ccc(Cl)c(F)c1	844647772	UIAQBRBXRIETAV-UHFFFAOYSA-N	308.762	1.835	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1ccccc1N1CCOCC1	842552537	BZQMRYHYHQSTDG-DZGCQCFKSA-N	317.389	1.398	50	20	DDGD	
O=C(CC(C1CCC1)C1CCC1)NNC(=O)CN1CCCC1=O	913734387	PAEWMMRGGRMYRL-UHFFFAOYSA-N	321.421	1.363	50	20	DDGD	
CC(=O)c1ccc(NC(=S)NNC(=O)c2ccc[nH]2)cc1	747766480	LFMPHNGRDSICDM-UHFFFAOYSA-N	302.359	1.849	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cnc(Cc2ccccc2)s1	910164982	CQXMBHJNFJCPJZ-NSHDSACASA-N	305.403	1.691	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)c2ccc(C)n2C)cc1	846370492	LQBSGIWVBVWRLI-UHFFFAOYSA-N	301.346	1.806	50	20	DDGD	
CC1(C)Cc2cc(C(=O)NNC(=O)N3CCOCC3)ccc2O1	843778655	HUVAGILNHFFXEI-UHFFFAOYSA-N	319.361	1.087	50	20	DDGD	
CCN[C@H](C)CNC(=O)NNc1cccc(C(=O)OC)c1F	841984705	GSFVMDSMMGVBGX-SECBINFHSA-N	312.345	1.236	50	20	DDGD	
COc1ccc(Cl)cc1NCCC(=O)NNC(=O)C(C)C	743845611	WBFMLNDVHKIDQL-UHFFFAOYSA-N	313.785	1.954	50	20	DDGD	
CC(C)(C)n1nnc(CNC(=O)NNc2cccc(C#N)c2)n1	847418694	HVPIQWACCNPTQR-UHFFFAOYSA-N	314.353	1.126	50	20	DDGD	
CCn1ccc(CC(=O)NNC(=O)Cc2ccccc2C)n1	844427048	AOCASROAUMXAPT-UHFFFAOYSA-N	300.362	1.144	50	20	DDGD	
CC(C)[C@H](NC1CCOCC1)C(=O)NNC(=O)OC(C)(C)C	743289429	UFKXEPLPDQNXIA-LBPRGKRZSA-N	315.414	1.336	50	20	DDGD	
Cc1noc(C)c1[C@H](C)C(=O)NNC(=O)Cc1ccc(F)cc1	749838103	ONBVDJWZRXCNSV-VIFPVBQESA-N	319.336	1.924	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(Cl)nc(C2CC2)c1	847062702	NMOPRYHUIVLZBT-LBPRGKRZSA-N	323.780	1.943	50	20	DDGD	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1ncccn1	743281790	CWEXSMGEZRRNED-UHFFFAOYSA-N	306.709	1.213	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1cccc(O[C@@H]2CC(=O)N2)c1	840730125	PKFNYTJOGAMFPX-CFYYFVFUSA-N	301.302	1.294	50	20	DDGD	
O=C(NCCc1cccs1)NN=Cc1cnc2cnccn12	746371195	VOYLHRDKFVRDPW-UHFFFAOYSA-N	314.374	1.667	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C[C@H](C)n2ccnc2)cc1	846093927	JOXZBDOVJCQMFR-NSHDSACASA-N	317.349	1.696	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1Cl	843655359	VBYOKDLWPAQRPI-RKDXNWHRSA-N	314.773	1.051	50	20	DDGD	
CCCC[C@H](CN)NC(=O)NNC(=O)c1cc2c(s1)CCC2	841959814	UEGSGHGLRVFSNX-LLVKDONJSA-N	324.450	1.698	50	20	DDGD	
Cc1nc2cc(NC(=O)NNC(=O)CCCN)ccc2s1	841182677	PDLJFCAGNZHPPJ-UHFFFAOYSA-N	307.379	1.496	50	20	DDGD	
CNC(=O)NNC(=O)CCCCCCNC(=O)OC(C)(C)C	742367381	VPCPSCLQSNACPT-UHFFFAOYSA-N	316.402	1.422	50	20	DDGD	
O=C(COC[C@@H]1CCCO1)NNc1cccc2cnccc12	748773285	JADUNGWFXLEJHD-ZDUSSCGKSA-N	301.346	1.874	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC1CCN(C(=O)C(C)(C)C)CC1	848312084	SRHAYYGBZTXLFY-VAWYXSNFSA-N	307.394	1.584	50	20	DDGD	
O=C(NCC[S@@](=O)Cc1ccccc1)NNc1ncccn1	741417821	DGTYNSYKQZSZEE-JOCHJYFZSA-N	319.390	1.052	50	20	DDGD	
O=C(CC[C@H]1CCOC1)NNc1ncc(Br)cn1	848321369	QYPLHUGXXAPLOO-QMMMGPOBSA-N	315.171	1.499	50	20	DDGD	
C[C@H](CN)CNC(=O)NNc1ccc(Br)c(F)c1	841962553	KWPBFSGLRPKDMA-SSDOTTSWSA-N	319.178	1.809	50	20	DDGD	
O=C(NNC(=O)N1CCCc2sccc2C1)c1ncccn1	841592667	VHTSMIBQQWEHEP-UHFFFAOYSA-N	317.374	1.341	50	20	DDGD	
CCCCOC(=O)C(C)(C)NC(=O)/C(C#N)=C\c1cnn(C)c1	848328001	VSYAJZHPVBUNOC-JYRVWZFOSA-N	318.377	1.565	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@H]1CC[C@H]1C(N)=O	848227212	UXVSLXMCYBZGGC-SFYZADRCSA-N	311.773	1.208	50	20	DDGD	
C[C@@H](CO[C@H]1CCOC1)NC(=O)NNc1ccc(F)c(F)c1	921387269	FAEUUTDCCXSJBA-ONGXEEELSA-N	315.320	1.785	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cccnc1C1CC1	855089373	OIVKYWLSIWJQLC-UHFFFAOYSA-N	304.419	1.868	50	20	DDGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)[C@@H]1CN(C)CCO1	752618603	MSINANVSWGDFIZ-IZWMIFJYSA-N	317.364	1.568	50	20	DDGD	
COc1cc(F)c(NC(=O)NNC(=O)c2ccc[nH]2)cc1OC	756456638	NTRWPPYTPFSQQF-UHFFFAOYSA-N	322.296	1.638	50	20	DDGD	
CC1=NO[C@H](C(=O)NNC(=O)Cc2c[nH]c3ccccc23)C1	854218851	IRMQQVOJXRSGKW-ZDUSSCGKSA-N	300.318	1.023	50	20	DDGD	
C[C@H](Oc1ccccn1)C(=O)NNC(=S)NCC1CCC1	855093190	ZEJFZLHTIWDDPO-JTQLQIEISA-N	308.407	1.144	50	20	DDGD	
C=CCCOCCCCC(=O)NNc1cc(Cl)nc(N)n1	753452217	PICOVRCCUYABDN-UHFFFAOYSA-N	313.789	1.918	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2nnn(C(C)(C)C)n2)cc1	853262763	JLFYXDABWRIEPB-UHFFFAOYSA-N	315.381	1.299	50	20	DDGD	
CC(C)(C)OCCCNC(=O)NNC(=O)c1ccccc1F	852287379	WOYWKRQNVUERFX-UHFFFAOYSA-N	311.357	1.975	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCc2cnn(C)c2)c1C	855627282	JBJPRXDUNIPHSW-UHFFFAOYSA-N	316.361	1.591	50	20	DDGD	
Cc1nn(C)c(N2CCOCC2)c1C=NNC(=O)CC(C)C	755566049	RNDQCRXDVYEOGA-UHFFFAOYSA-N	307.398	1.061	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CSCCS1)c1cccc(Cl)n1	857323133	BXNWJVGQJHHFNJ-QMMMGPOBSA-N	317.823	1.345	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccnn1CCc1ccccc1	857722625	OTYMGXWICLGUTH-UHFFFAOYSA-N	317.418	1.207	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1	755723780	XBYSUQITGFZEBQ-ZDUSSCGKSA-N	323.349	1.044	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(C)n(-c2ccc(C)cc2)n1	757913279	KGSXZNYIJCFNEB-UHFFFAOYSA-N	317.349	1.288	50	20	DDGD	
CNc1ccc(C(F)(F)F)cc1C(=O)NNC(=O)C1CC1	854180282	LBRKFONBSAZOTA-UHFFFAOYSA-N	301.268	1.918	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cc(O)nc(C2CC2)c1	855089255	JINIUNSZYSKBCD-UHFFFAOYSA-N	320.418	1.574	50	20	DDGD	
CCCCCCCCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1	858694532	QMGSUYNNZLITRN-LBPRGKRZSA-N	312.414	1.346	50	20	DDGD	
C[C@@]1(CNC(=O)NCCC2(CO)CC2)C[C@H]1Br	856959876	ZBCJXMJVZURXLC-KOLCDFICSA-N	305.216	1.622	50	20	DDGD	
COc1cc(C)cc(C(=O)NNC(=S)N[C@@H](C)C2CC2)c1O	855098583	JNTNLPCJBHUNNP-VIFPVBQESA-N	323.418	1.617	50	20	DDGD	
C[C@H](CBr)CN1CC[C@@H](CN2CCCC2=O)C1	852680222	OOGIBYWAFJSBLS-VXGBXAGGSA-N	303.244	1.962	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCc1ncnn1C(C)(C)C	867233145	VZJRTRHEMRLUMH-UHFFFAOYSA-N	322.862	1.718	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2cnc(C3CCCC3)s2)N1	863147318	COYONGVRLZZDJR-LLVKDONJSA-N	306.391	1.529	50	20	DDGD	
Cn1nncc1COC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	869460045	KNAURDJPWQGEDW-MKPLZMMCSA-N	314.183	1.812	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1cnn(C2CC2)c1	863867288	YESWCCJGAPTOHB-UHFFFAOYSA-N	314.345	1.317	50	20	DDGD	
C[C@@H](NNC(=O)c1cc(Br)c[nH]1)C(F)(F)F	862305198	KKWUFKXNOBATKR-SCSAIBSYSA-N	300.078	1.962	50	20	DDGD	
CCN1C[C@H](C)N(C(=O)NNC(=O)c2ccccc2C)C[C@H]1C	765645527	VNIXQVCRZDLFFB-KGLIPLIRSA-N	318.421	1.764	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(C(F)(F)F)cn1)[C@@H]1CCC(=O)N1	860938288	UJUQDEGXPCOJNX-APPZFPTMSA-N	316.283	1.458	50	20	DDGD	
CCOc1ccc(NNC(=O)/C=C/CN2CCOCC2)cc1	868567421	TVAGYSZDAMZSTE-ONEGZZNKSA-N	305.378	1.417	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(F)cc1S(=O)(=O)CC	760012439	CZMKIRDUVJBQAK-UHFFFAOYSA-N	317.342	1.182	50	20	DDGD	
CCC[C@H](NC(=O)[C@@H](Br)C(C)(C)C)c1nn[nH]n1	768245705	KHNFHWXGVLBLSP-JGVFFNPUSA-N	318.219	1.967	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cccc(OC)c1OC	932501099	NLPYXEYPAMJCOD-UHFFFAOYSA-N	305.334	1.660	50	20	DDGD	
CC[C@@H](C(=O)NN(C)C(N)=O)c1ccc(Br)cc1	860516680	JVZYIIYENNPIMP-SNVBAGLBSA-N	314.183	1.984	50	20	DDGD	
CCCN(CCN(CC)CC)S(=O)(=O)CBr	763618634	FBJPKPILCMXLSS-UHFFFAOYSA-N	315.277	1.722	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1cc(C(C)=O)ccc1Cl	761885177	AODXZNRUFWWFAF-UHFFFAOYSA-N	304.755	1.262	50	20	DDGD	
N#Cc1ccc(C(=O)NNCC(F)(F)C(F)(F)F)cc1O	863101186	MEFGOUQSPXYLNP-UHFFFAOYSA-N	309.194	1.696	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@H]1c1ccncc1	767572195	UZPBCBPEGWJUBU-HIFRSBDPSA-N	318.421	1.801	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)CC1CCSCC1	762204814	MEVNLYPQMRTHEB-UHFFFAOYSA-N	324.402	1.452	50	20	DDGD	
COc1ccc(NNC(=O)CCn2cccc2)c([N+](=O)[O-])c1	768335874	SBVDKMQSQUIHIC-UHFFFAOYSA-N	304.306	1.938	50	20	DDGD	
COc1c(F)cc(NCc2ccccc2B(O)O)c(OC)c1F	864038217	JLVIWFKJEIKAES-UHFFFAOYSA-N	323.104	1.274	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc(C#N)c2)CCO1	769715792	XYUYMTRPLHEBNC-ZWNOBZJWSA-N	302.334	1.070	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)c1ccncc1	761634422	ULORYCADHBKLPM-UHFFFAOYSA-N	317.370	1.644	50	20	DDGD	
Cc1ccc(Cl)c(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1	860780167	GKBJLAADTYFZRR-VIFPVBQESA-N	310.741	1.080	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccnc1)c1sccc1C	763196100	SIBPWMCNWOBKJF-UHFFFAOYSA-N	316.386	1.722	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNC(=O)NC2CCCCC2)n1	864460691	ZDCKOACUEQPMGB-LLVKDONJSA-N	307.398	1.491	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2Cc3ccccc3C2)c(O)c1	762843519	JXFFRUNPPKEKHW-UHFFFAOYSA-N	310.353	1.877	50	20	DDGD	
CCC(C)(CC)C(=O)OCC(=O)NNC(=O)c1cccs1	767613456	UYFJGGPPTJOFOG-UHFFFAOYSA-N	312.391	1.879	50	20	DDGD	
Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NNC(=O)C(C)(C)O	768261536	MNKCOWLAKWUHAM-VXGBXAGGSA-N	304.390	1.894	50	20	DDGD	
CCNC(=O)N(C)N=Cc1cc(C)c(OCC(=O)OC)c(C)c1	769593895	UVJPYJVBIWFPAG-UHFFFAOYSA-N	321.377	1.850	50	20	DDGD	
C[C@@H]1C[C@@H](CNC(=O)NNc2nncc(N)c2Cl)CCO1	1116452607	UGQVKZRRSPVGJE-SFYZADRCSA-N	314.777	1.153	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@H](c2ccsc2)N(C)C)cc[nH]1	875072563	XURKVAQHFLIQJV-CQSZACIVSA-N	319.434	1.802	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@H](C)C(=O)OC(C)(C)C)cc[nH]1	875704338	KQYWOCFAXUUJQQ-JTQLQIEISA-N	308.382	1.416	50	20	DDGD	
CO[C@](C)(C(=O)NNc1ccc(F)cn1)C(=O)OC(C)(C)C	874647376	UOANFFRUMUPLFG-CQSZACIVSA-N	313.329	1.411	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNc1ccc(Br)nc1	878828262	MJDTUVWMZAJMMY-VIFPVBQESA-N	315.171	1.202	50	20	DDGD	
CCCn1cc(C=NNC(=O)CNc2ccc(C)cc2)nn1	872328459	UQEMNLIRBMWMNG-UHFFFAOYSA-N	300.366	1.559	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ncoc1[C@H]1CCCO1	1118775962	MWPRCYALHQCYFS-SNVBAGLBSA-N	324.406	1.435	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc(N=S(C)(C)=O)c1	879863299	BRLLQBQIIQHOEG-UHFFFAOYSA-N	314.411	1.660	50	20	DDGD	
CC(Cc1cccc(C)c1)=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	872388074	BAKLGMYAIVTPMH-SJORKVTESA-N	315.417	1.893	50	20	DDGD	
CC[C@@H](Cc1cccc(C)c1)C(=O)NNc1nccn(C)c1=O	879072758	JYPMIAWGHVWHSC-AWEZNQCLSA-N	314.389	1.801	50	20	DDGD	
CN(CC(=O)NNC(=O)C(C)(C)C)Cc1nc2ccccc2o1	770175331	ZEBUNFJRHGZSKT-UHFFFAOYSA-N	318.377	1.453	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)CN(C)C(C)=O	873855431	VRZJSPDUDBTJNZ-UHFFFAOYSA-N	322.434	1.353	50	20	DDGD	
C[C@H]1COCCCN1C(=O)NNC(=O)c1cccc(C#N)c1	773004105	FOPOBHRTNCNZQP-NSHDSACASA-N	302.334	1.023	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)c3cccc(F)c3F)nc21	770974635	YEHTXTUDVRPCPH-UHFFFAOYSA-N	320.259	1.104	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc2nccnc2c1	872355318	SKDZLILEYZOLQY-LLVKDONJSA-N	302.334	1.131	50	20	DDGD	
CCCOc1ccc(C(C)=NNC(=O)NCC(=O)OC)cc1	779817630	SYWUEDPCJHHSRG-UHFFFAOYSA-N	307.350	1.672	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1cc2c([nH]1)CCCC2	872362757	CXUJCNUBGXQHKV-UHFFFAOYSA-N	320.393	1.868	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H]2CCCc3c2cnn3C)cc[nH]1	875101261	KUBKODFSNAJNSH-CYBMUJFWSA-N	300.366	1.249	50	20	DDGD	
Cn1nccc1NC(=O)NNC(=O)CSc1ccccc1O	775753030	MTHQGJAADZQDNQ-UHFFFAOYSA-N	321.362	1.071	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1oc2ccccc2c1C	771845594	ITFHLLAFNMHKLG-SNVBAGLBSA-N	318.329	1.844	50	20	DDGD	
CCCNC(=O)/C(C#N)=C\c1ccc(N2CCN(C)CC2)cc1	771520057	IUIKEEBZMYQHEB-SSZFMOIBSA-N	312.417	1.872	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccn(Cc2ccccc2)n1	772407050	NDYIWHOVTDRFNX-UHFFFAOYSA-N	315.377	1.676	50	20	DDGD	
C=Cn1cc(C=NNC(=O)COc2ccccc2OC)cn1	773003599	BBVZXZQBLLLRSV-UHFFFAOYSA-N	300.318	1.521	50	20	DDGD	
CC(Cc1ccccc1F)=NNC(=O)[C@H]1CCS(=O)(=O)C1	780208367	OOIDQGZCOIAIGB-LBPRGKRZSA-N	312.366	1.295	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC[C@H](C)C#N)c2ccccc2n1	781950610	OBFPVZIJYQQOOR-SNVBAGLBSA-N	311.345	1.647	50	20	DDGD	
CCNC(=O)NN=Cc1cn(-c2ccc(F)c(Cl)c2)nn1	782901295	FENXJVJSZMRUPN-UHFFFAOYSA-N	310.720	1.713	50	20	DDGD	
N#CC1=CCN(C(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)CC1	780686633	DIONNBPDQBKSHF-UWVGGRQHSA-N	301.268	1.126	50	20	DDGD	
CCc1ncsc1NC(=O)C(=O)NNc1cc(C)nc(C)n1	783331511	RXAKKNXYYCURTK-UHFFFAOYSA-N	320.378	1.194	50	20	DDGD	
COCc1ncsc1C(=O)NNc1ccccc1C(=O)OC	786528520	YJJMWJCJJZFCLT-UHFFFAOYSA-N	321.358	1.833	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)N[C@@H](CC)C(F)F	881013749	FWTCPHRHYOABKS-QMMMGPOBSA-N	311.329	1.150	50	20	DDGD	
Cc1cccnc1NNC(=O)NCc1cc(C2CC2)n(C)n1	1122214798	NCFVFPRZJGXBMW-UHFFFAOYSA-N	300.366	1.827	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1	788301964	RCPWPRRNRAQYHQ-UHFFFAOYSA-N	319.770	1.306	50	20	DDGD	
Cn1cc(C=NNC(=O)N2CCOCC2)c(C2CCCCC2)n1	783837865	QJLGWSIZJXZWAY-UHFFFAOYSA-N	319.409	1.844	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)COCc2ccnn2C)o1	786020746	XYFJYHIHOZMGHR-UHFFFAOYSA-N	318.337	1.063	50	20	DDGD	
CN(C)CC(=O)NN=Cc1cnn(Cc2ccc(F)cc2)c1	780216811	XJDMGVZDMZOCGB-UHFFFAOYSA-N	303.341	1.082	50	20	DDGD	
CCOc1cc(/C=C/C(=O)NNc2ncc(F)cn2)ccc1O	780999029	NQEAXPNZKJOOCM-GQCTYLIASA-N	318.308	1.877	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1cc(O)cc([N+](=O)[O-])c1	780324085	KFVVQYVLQZNSLP-UHFFFAOYSA-N	317.257	1.081	50	20	DDGD	
C=CC(=O)N(CC)CC(=O)NNC(=O)Cc1ccc(Cl)cc1	899956596	DLQYWSWRAPMANG-UHFFFAOYSA-N	323.780	1.064	50	20	DDGD	
N#CC1=CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1	780688316	DHXQQHFJFVFNPQ-CYBMUJFWSA-N	313.332	1.861	50	20	DDGD	
CCCCS(=O)(=O)CC(=O)NN=c1cc[nH]c2ccccc12	894425755	QWAYYMFDSQVPID-UHFFFAOYSA-N	321.402	1.315	50	20	DDGD	
N#CCOc1ccc(C=NNC(=O)c2ccc(O)c(O)c2)cc1	794559404	WMTLBPMZYZMSFD-UHFFFAOYSA-N	311.297	1.764	50	20	DDGD	
C[C@H](Oc1ccc(C=NNC(=O)[C@@H]2CCOC2)cc1)C(=O)O	794940486	WKQIKEARUSTKGD-CMPLNLGQSA-N	306.318	1.025	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc(NC3CC3)nc2)n1	794077280	UOJGXFYMNTWQFI-UHFFFAOYSA-N	311.345	1.434	50	20	DDGD	
C[C@@H]1CCC[C@H](OCC(=O)NNC(=O)NCC(F)(F)F)C1	798314011	SMEDHAOZETWDRR-BDAKNGLRSA-N	311.304	1.474	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2CCN(CC(F)(F)F)C2)n1	792039962	LQOYXYKWDLNACT-SNVBAGLBSA-N	317.315	1.421	50	20	DDGD	
CSSCCNC(=O)N[C@H](C(N)=O)c1ccc(F)cc1	790882014	JQKREQZGBLDSIT-JTQLQIEISA-N	317.411	1.663	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCc1ccc(SC)cc1	798117079	UPANTJGVOGZVRM-UHFFFAOYSA-N	311.407	1.318	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)C[C@H]1CCCOC1	792802265	XERUWYLXVHVNHC-LLVKDONJSA-N	310.325	1.169	50	20	DDGD	
CC(C)(C=NNC(=O)c1ccc(O)c(Cl)c1)S(C)(=O)=O	1319495908	RBSIDHGGBRFOSS-UHFFFAOYSA-N	318.782	1.584	50	20	DDGD	
C[C@H](OC1CCCCC1)C(=O)NNc1ncnc2[nH]cnc12	1319166997	HYNHSANBCJULGM-VIFPVBQESA-N	304.354	1.534	50	20	DDGD	
C[C@H](C(=O)Nc1cccc(NC(=O)NN(C)C)c1)n1ccnc1	1326385284	OGMUYVZHKPUNRC-LLVKDONJSA-N	316.365	1.681	50	20	DDGD	
COc1ccc2c(c1)C[C@@H](C(=O)NNc1ccn(C)n1)CO2	1325428481	QADKEPZOQWVKCO-LLVKDONJSA-N	302.334	1.123	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1Cc2ccc(O)cc2C2(CC2)C1	1324707268	SORJSHKNOLGURF-NSHDSACASA-N	317.389	1.185	50	20	DDGD	
C[C@]1(CNC(=O)CNC[C@@H]2CCCO2)C[C@@H]1Br	1328591134	ZTDWIFUPULZTNK-JBLDHEPKSA-N	305.216	1.045	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(C#N)s2)cc1	1322326451	ZXWRKHILSNANEQ-UHFFFAOYSA-N	301.327	1.703	50	20	DDGD	
Cc1nn(C)c(Br)c1C(=O)N1CC=C(C#N)CC1	801179940	KMZCYTBKOMVJIA-UHFFFAOYSA-N	309.167	1.787	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N[C@H]2CCC[C@H](F)C2)c1	1325999309	LMERZBIPJCTOFA-STQMWFEESA-N	304.325	1.783	50	20	DDGD	
CN[C@@H](C)CCNC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	1325325150	UEAVVWKVSUUFCN-NSHDSACASA-N	322.413	1.086	50	20	DDGD	
C[C@H](C[S@](C)=O)NC(=O)NNC(=O)c1ccccc1Cl	1325285102	PGMAUKIRHAKHLG-SQFXPLBJSA-N	317.798	1.051	50	20	DDGD	
COc1ccc(OC)c(C(C)=NNC(=O)C2CCOCC2)c1	1330903378	LOPNQTHPLQDTTM-UHFFFAOYSA-N	306.362	1.971	50	20	DDGD	
CN(C)[C@H]1CCCC[C@H]1NC(=O)NNc1ccc(C#N)cn1	1331290771	ZLJPOCBLVCQAAZ-OLZOCXBDSA-N	302.382	1.452	50	20	DDGD	
COc1cccc(NNC(=O)NCC2CC(OC)(OC)C2)n1	1343108537	FWYIZMLHMLSTJE-UHFFFAOYSA-N	310.354	1.115	50	20	DDGD	
CCN(CC)CC[C@H](C)NC(=O)NNC(=O)[C@@H]1CCCCO1	1263305281	UZIJPZGFHJPBFS-STQMWFEESA-N	314.430	1.006	50	20	DDGD	
Cc1cc([C@H](C)NC(=O)NNC(=O)[C@@H]2CCCCO2)c(C)o1	1348031365	CCPCEOBGKCIBES-GWCFXTLKSA-N	309.366	1.857	50	20	DDGD	
C[C@]1(COC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)C[C@@H]1Br	1263536696	CTWJQUMLSGKBGF-ORXSELOVSA-N	318.211	1.995	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1ncccc1Br	1523734077	KBKFYLIKZLQLDZ-UHFFFAOYSA-N	315.171	1.331	50	20	DDGD	
O=C(COCc1ccccn1)NNc1ccccc1C(=O)O	1601339139	YLDHFNLRRSZABD-UHFFFAOYSA-N	301.302	1.440	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1F	1606870687	ZJFHVCCCXRBCED-KPKJPENVSA-N	306.293	1.584	50	20	DDGD	
CC(C)c1ccc2c(c1)[C@H](NC(=O)NNC(=O)C(=O)O)CC2	1609720356	FRLYMRMPRCBQEZ-GFCCVEGCSA-N	305.334	1.212	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1CC[C@@H](CC(=O)O)C1	1600566537	YAJZFWGCUGIMHD-NEPJUHHUSA-N	319.361	1.582	50	20	DDGD	
Cc1cc(C(=O)NNc2ncccc2C(=O)O)cc(Cl)n1	1605120438	HABITQWLXMSSGO-UHFFFAOYSA-N	306.709	1.894	50	20	DDGD	
C[C@H]1CNCC[C@H]1NC(=O)NNc1ccc(C(=O)O)cc1F	1609878563	PLXFRHNZFJMJMI-GZMMTYOYSA-N	310.329	1.148	50	20	DDGD	
Nc1nc(Cl)ccc1C(=O)NNc1ccc(C(=O)O)c(F)c1	1608275399	JGMOSSKMIMZEMY-UHFFFAOYSA-N	324.699	1.911	50	20	DDGD	
O=C(O)[C@@H]1CC[C@@H]1NS(=O)(=O)c1ccc(CCl)cc1	1602175221	RXIFEMILWTWGGD-MNOVXSKESA-N	303.767	1.567	50	20	DDGD	
O=C(O)c1cccc(C(=O)NNc2cc(F)cc(F)c2F)n1	1608929305	UPAIYRWSJAPSLZ-UHFFFAOYSA-N	311.219	1.954	50	20	DDGD	
Cc1ncsc1C(=O)NN=Cc1cccn1[C@@H](C)C(=O)O	1600759990	BAMZQWJEBYLXQR-VIFPVBQESA-N	306.347	1.663	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc1F	1608904204	MIOAALHPWORJTB-GMOODISLSA-N	308.309	1.782	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)CN)C2	1800070360	DQPPJJXTJLUAJI-UJPOAAIJSA-N	315.845	1.237	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@]2(C)CCCNC2)ccc1F	1578860230	HUHNXGCNSYFKMB-HNNXBMFYSA-N	309.341	1.445	50	20	DDGD	
C[C@]1(C(=O)NNc2ccc(OC(F)F)cc2)C[C@@H](N)CCO1	1576351115	WOMROJCMHQINKJ-LKFCYVNXSA-N	315.320	1.628	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)[C@H]2CNCCO2)C1	1575263146	RFSRVFQZSCAFCK-QWHCGFSZSA-N	314.502	1.598	50	20	DDGD	
O=C(c1cc[nH]n1)N1CC[C@H]2[C@@H]1CCN2C(=O)C(Cl)Cl	1847896667	VZKKWAJTMCBFBB-IUCAKERBSA-N	317.176	1.029	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2c[nH]nc2C)C1	1844775094	AAVYKFJUTKGYKY-GFCCVEGCSA-N	324.812	1.553	50	20	DDGD	
CCC(C)(C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2	1845986438	QKZKHFHVKAOCGE-NSHDSACASA-N	316.829	1.226	50	20	DDGD	
COc1ccc(CC(=O)NNc2ccc(C(=O)O)cn2)cc1O	1599548947	SDFPIOVLSYHEKJ-UHFFFAOYSA-N	317.301	1.180	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)c1cc(-c2nn[nH]n2)ccn1	1593161193	NBXVZZRKGGNBDE-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
O=C(O)[C@@H](C(=O)NNc1cc(C(F)(F)F)ccn1)C1CC1	1594836296	SYHWYWHBPIYOHE-SECBINFHSA-N	303.240	1.654	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2coc(/C=C\C(=O)O)c2)c1	1594435733	MJKPHHGLZKYXRC-IHWYPQMZSA-N	320.326	1.822	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C(=O)O)[C@@H]1CCC[C@@H](OC)C1	1596864287	UTONJVUHZWSXIM-QMNNRHANSA-N	310.350	1.205	50	20	DDGD	
COC[C@H](NC(=O)NNc1ccc(CC(=O)O)cc1)C(C)C	1599175041	VIIVXWPVAKNWNL-ZDUSSCGKSA-N	309.366	1.611	50	20	DDGD	
C[C@]1(C(=O)NCCSCCC(=O)O)C[C@H]1Br	1593753460	ACOWGSCONLXDTI-XCBNKYQSSA-N	310.213	1.484	50	20	DDGD	
CC[C@H](C(=O)O)C(=O)NNC(=O)c1nc2ccccc2s1	1594755288	FTFTYAXCOSFYOE-ZETCQYMHSA-N	307.331	1.168	50	20	DDGD	
COCCCS(=O)(=O)/C(C#N)=C\c1cc(C(=O)O)c(C)o1	1777207022	LIOHBFAZGDQDAE-WDZFZDKYSA-N	313.331	1.602	50	20	DDGD	
O=C(O)/C=C/c1ccc(C=NNC(=O)c2ccc(O)cc2)o1	1776012530	HKCLVBOLYYPYKO-AQVPEHARSA-N	300.270	1.847	50	20	DDGD	
Cc1nsc(C=NNC(=O)[C@@H]2CCN2C(C)(C)C)c1C(=O)O	1776098326	HKOUKKZRVVPGLZ-VIFPVBQESA-N	324.406	1.473	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl)c1cn[nH]c1	1796809294	RRBVPNWMSXTSEK-LMLFDSFASA-N	314.748	1.196	50	20	DDGD	
CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](O)CCl)CC1	1793109836	HVWCEUULRADCAM-WRWGMCAJSA-N	314.813	1.024	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1	152765843	CXRNHVNNHSJICE-UHFFFAOYSA-N	322.708	1.662	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cc(COC)on2)n1	155810350	MYXHPDBNFHLAQS-UHFFFAOYSA-N	320.353	1.214	50	20	DDGD	
O=C1NC[C@H]2CN(C[C@H](CBr)C3CC3)CCN12	859160670	JLPPZUVBGNGNSM-QWRGUYRKSA-N	302.216	1.117	50	20	DDGD	
COc1cccc(NCC(=O)N/N=C2/C(=O)Nc3ccccc32)c1	6958012	BKNIHGZKPADBFZ-UHFFFAOYSA-N	324.340	1.580	50	20	DDGD	
O=C(CSC1=NCCS1)NNC(=O)c1ccc(F)cc1	10863358	UFZBXTRVXPLXJL-UHFFFAOYSA-N	313.379	1.423	50	20	DDGD	
COc1ccc2c(c1)OC[C@H](C(=O)NNC(=O)CC(C)(C)C)C2	103197372	XIINLUAREKSSJV-GFCCVEGCSA-N	320.389	1.830	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cc(F)ccc1Cl	103058756	VXBQXHFIORVIPQ-SSDOTTSWSA-N	308.762	1.835	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)o1	177304097	DQOVAVQKLSPAEO-GXTWGEPZSA-N	323.393	1.983	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)CC(C)(C)C)c(F)c1	105388632	GTKWNYBUTVFUHC-UHFFFAOYSA-N	302.371	1.880	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)N[C@H](C)C2CC2)cc1	56563282	YJSMHNBGFLAXGL-LLVKDONJSA-N	305.378	1.757	50	20	DDGD	
Cc1ncccc1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	108151797	QZTCXOILTLKTNH-LLVKDONJSA-N	317.320	1.758	50	20	DDGD	
CCNC(=O)NNC(=O)C1(c2cccc(OC)c2)CCCC1	108787398	CTDAWSNXGOHWEP-UHFFFAOYSA-N	305.378	1.857	50	20	DDGD	
CC(C)CS(=O)(=O)CCC(=O)NNc1c(F)cccc1F	118511770	IZFCBHZNSFPRHA-UHFFFAOYSA-N	320.361	1.869	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1	112274355	KXAOSGQEJHYBRS-CHWSQXEVSA-N	323.437	1.609	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1cc2c([nH]c1=O)CCCC2	114896873	MAJXYJQOTAKCLI-UHFFFAOYSA-N	319.752	1.454	50	20	DDGD	
Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)NC3CC3)cc2)n1	64900143	JBMZWOLDTWBYHP-UHFFFAOYSA-N	313.361	1.596	50	20	DDGD	
CCCNC(=O)CCC(=O)NNc1nc(-c2ccccc2)no1	110853862	HYCDFHIRAODEOC-UHFFFAOYSA-N	317.349	1.486	50	20	DDGD	
O=C(CCc1ccoc1)NNC(=O)NCCc1cccs1	177619555	LYPIEDMFOFWGNW-UHFFFAOYSA-N	307.375	1.847	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCc2cccc(F)c2)n1	175206905	JXELNYYDOLSAPF-UHFFFAOYSA-N	319.340	1.802	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)CC(=O)NNC(=O)c1cccn1C	125332620	QAYCYJMCNCGTTH-VIFPVBQESA-N	304.350	1.585	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c1	302851900	BCLYUVVEABDTFK-KCQAQPDRSA-N	302.374	1.957	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc2[nH]ccc12	124778181	KXXVDKOCZDPQMO-VIFPVBQESA-N	302.334	1.300	50	20	DDGD	
O=C(NC[C@@H]1CCCO1)NNC(=O)c1cc2ccccc2o1	65147643	JJVNZXJQKGGKCG-NSHDSACASA-N	303.318	1.556	50	20	DDGD	
O=C(CCC(=O)c1ccc2c(c1)CCC2)NNC(=O)NC1CC1	64427873	RDKYOYYRBBXEQU-UHFFFAOYSA-N	315.373	1.631	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cncc(F)c2)c(C)c1	129230897	ATZLSLDCACHSMH-UHFFFAOYSA-N	316.336	1.711	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNc1cccc(S(C)(=O)=O)c1	181123977	FPBJKHWQCYXXJM-NSHDSACASA-N	314.407	1.738	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNC(=O)c1c[nH]c2ccccc12	182637512	DIKSZADAPPLXES-LLVKDONJSA-N	303.362	1.992	50	20	DDGD	
COCc1ccccc1NC(=O)NNC(=O)Cc1cccnc1	183839087	BSWRMWFMFDUFIX-UHFFFAOYSA-N	314.345	1.623	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NC[C@]2(C)CCCO2)c1	126892885	XDFCNPZYIQMMMO-INIZCTEOSA-N	320.393	1.266	50	20	DDGD	
Cc1noc2nc(C3CC3)cc(C(=O)NNc3ncccn3)c12	124050334	JPIOEWQFQQBVMC-UHFFFAOYSA-N	310.317	1.956	50	20	DDGD	
Cc1ccnc(NNC(=O)c2ccccc2N2CCOCC2)c1	185726051	QMVKKSNKPAZUDE-UHFFFAOYSA-N	312.373	1.984	50	20	DDGD	
C#CCOc1ccccc1NC(=O)NNC(=O)c1cccnc1	188136102	VFKATZLGMWMUPC-UHFFFAOYSA-N	310.313	1.560	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)n1	181444634	OEVUFKXCKWVPRE-MNOVXSKESA-N	305.382	1.342	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H](C)c2cnn(C)c2C)nc1	188932058	DPBGIWIXBMPEDP-VIFPVBQESA-N	304.354	1.519	50	20	DDGD	
Cc1cc(C)cc(OCCNC(=O)NNc2cccnn2)c1	77349444	JCTCFPYXDRVABK-UHFFFAOYSA-N	301.350	1.799	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@@H]1COc2ccc(Cl)cc2C1	122682337	VBNGMYNHDWAWSQ-VIFPVBQESA-N	322.727	1.964	50	20	DDGD	
CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)CBr)C1	374656045	ADNIPIZBJDYHTN-UWVGGRQHSA-N	311.245	1.085	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)c1cc2c(F)cccc2s1	46773069	KKHLMVJLWOYETJ-UHFFFAOYSA-N	323.349	1.326	50	20	DDGD	
Cc1noc(CCC(=O)NNc2nc(-c3ccccc3)no2)n1	76463170	IPJOCLRBYSLPGO-UHFFFAOYSA-N	314.305	1.504	50	20	DDGD	
Cc1c(C(=O)NNC(=O)N(C)C)[nH]c2c1C(=O)CC(C)(C)C2	194927962	BUCZVXZZLRCNLH-UHFFFAOYSA-N	306.366	1.394	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NNc2ncccn2)no1	46621725	KZYSPLPXHYVIPF-UHFFFAOYSA-N	311.301	1.897	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@H](C)CN2CCCC2)n1	80050401	QKVOLXFWUBPRHW-NSHDSACASA-N	306.414	1.451	50	20	DDGD	
O=C(NNc1ccccc1OC(F)(F)F)C1=COCCO1	190191519	NCBKFMKUHHFARR-UHFFFAOYSA-N	304.224	1.917	50	20	DDGD	
Cc1ccc2ncc(/C=C(/C#N)C(=O)Nc3ccn(C)n3)n2c1	134498555	JSTLHMASQYQKLW-GHXNOFRVSA-N	306.329	1.922	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(Br)c(O)c1	132917551	STISJNCQQLIABF-UHFFFAOYSA-N	303.112	1.546	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2cnsn2)c1C	48733048	RKLXGNBRXSDKIV-UHFFFAOYSA-N	307.404	1.786	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2ccc(F)c(F)c2)n1	87434537	RLTNKKCTDMFDFH-UHFFFAOYSA-N	308.288	1.758	50	20	DDGD	
CCOC(=O)Cn1nc(C)c(/C=C(/C#N)C(=O)NC(C)C)c1C	95452292	VZANDTICEUULAT-QPEQYQDCSA-N	318.377	1.495	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)CC1CCCC1)N1CCCC1=O	195207520	IZWZLMYQTJDPDG-HNNXBMFYSA-N	309.410	1.361	50	20	DDGD	
O=C(CCCc1ccccc1)NNS(=O)(=O)CCC1CC1	92276109	ZLCHHMJBIXVAMB-UHFFFAOYSA-N	310.419	1.760	50	20	DDGD	
COCCCNC(=O)NNC(=O)/C=C\c1ccc(Cl)cc1	255448812	WBQGPHXBDGAFDC-YVMONPNESA-N	311.769	1.720	50	20	DDGD	
CC[C@H](C)C[C@H](C)NC(=O)NNC(=O)COc1ccccc1O	266624445	VWXXSTKQIRQUKE-RYUDHWBXSA-N	323.393	1.926	50	20	DDGD	
O=S(=O)(NC[C@@H](O)C1CC1)c1ccc(CCCCl)cc1	269306810	GPALVUUMRHKQFM-CQSZACIVSA-N	317.838	1.907	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)NC2CCCC2)c(F)c1	264390224	RJSWWRPTOAHCOY-UHFFFAOYSA-N	315.370	1.569	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cc1ccc2c(c1)OCO2)C1CC1	267643230	UJFHLDYVOHFBRF-VIFPVBQESA-N	321.402	1.252	50	20	DDGD	
CCC(CC)n1ccc(C(=O)NNC(=O)c2ccccn2)n1	269303174	KMVUJOZJUOJTEP-UHFFFAOYSA-N	301.350	1.714	50	20	DDGD	
C[C@@H]1CC[C@@H](CCC(=O)NNc2nc(-c3cccnc3)no2)O1	266468261	RXPXIGJDKMHWKQ-PWSUYJOCSA-N	317.349	1.922	50	20	DDGD	
CCCC[C@H](COC)NC(=O)NNC(=O)c1ccccc1OC	265499509	ZBHFUDUKFMSRGK-GFCCVEGCSA-N	323.393	1.844	50	20	DDGD	
CN(C)C(=O)Nc1cccc(C(=O)NNC(=O)OC(C)(C)C)c1	265716485	KLXAQJOOIWGCCU-UHFFFAOYSA-N	322.365	1.950	50	20	DDGD	
O=C1O[C@H](C(=O)NNc2cccc(F)n2)Cc2ccccc21	367748846	UISYFZLVODUEER-NSHDSACASA-N	301.277	1.446	50	20	DDGD	
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC=C(C#N)CC1	272727831	GNJDOJWTMFXALY-UHFFFAOYSA-N	307.331	1.748	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H]2CCCCS2(=O)=O)c1	275087747	TXNWYYRKQVADNO-GFCCVEGCSA-N	316.354	1.245	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H](C)OC[C@H]2CCCCO2)n1	272521655	LFNVUBQINFXAPF-VXGBXAGGSA-N	309.366	1.508	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1nnc(C(C)(C)C)s1	277156178	SABVUFBCKBZZQX-UHFFFAOYSA-N	300.388	1.533	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)N[C@H]1CCOC2(CCC2)C1	276918180	PPYMEFZEALPXOX-NSHDSACASA-N	316.365	1.457	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccc(OC(C)C)c(C)c1	274181270	IJOHVVFSDJIXLK-UHFFFAOYSA-N	309.322	1.108	50	20	DDGD	
CC(C)n1cnnc1CNC(=O)/C(C#N)=C\c1ccc(O)cc1	274996045	NIMQXANGYBPEOZ-QPEQYQDCSA-N	311.345	1.788	50	20	DDGD	
CSCCNC(=S)NNC(=O)CSc1ccncc1	271444336	QFELKXYBEQUXGI-UHFFFAOYSA-N	316.477	1.032	50	20	DDGD	
CCC[C@]1(CO)CCCN1CC(=O)NNC(=O)c1ccccc1	277803718	PNXRNEVYJRPDFK-QGZVFWFLSA-N	319.405	1.075	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCc1cc(OC)ccc1OC	271241822	ALBFHEIMPVMDSK-UHFFFAOYSA-N	309.366	1.329	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1c[nH]c2cccc(OC)c12	272641802	DMSMLDUZDOFQGH-UHFFFAOYSA-N	304.350	1.412	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCO[C@H](C)C2)cc1	272138296	WSFNCQANWFPLLY-OLZOCXBDSA-N	306.362	1.336	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2ncccc2F)[C@@]12CCCO2	286913094	UMHUPYCXILFSEJ-ZOWXZIJZSA-N	324.356	1.573	50	20	DDGD	
CCOC(=O)c1cc2cc(C(=O)NN(C)CCOC)ccc2[nH]1	288532584	WXTOETXOCIZMOQ-UHFFFAOYSA-N	319.361	1.568	50	20	DDGD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)c1cccc(N(C)C)c1	280292271	OWCODCGUTBHQLO-NEPJUHHUSA-N	317.389	1.519	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCN1CCC(S(N)(=O)=O)CC1	377526604	GBVGMOWXXJVBFL-UHFFFAOYSA-N	322.547	1.761	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CC(=O)N(C)C2)c(Cl)c1	283690031	IQFOSGFOTUWMEY-SECBINFHSA-N	324.768	1.279	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNc1ccc(-n2ccnc2)nn1	286449201	AAIPRADLVYTYPZ-WDEREUQCSA-N	314.349	1.111	50	20	DDGD	
C[C@](O)(CCNC(=O)NNc1ccncn1)c1ccccc1	296989897	UJZHSCUMQJPXRY-HNNXBMFYSA-N	301.350	1.401	50	20	DDGD	
COc1ccc(C(=O)NNc2cccc(F)n2)cc1[N+](=O)[O-]	804768767	ULRFIZBUSPGPLP-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@@H]1CSC[C@@H]1C	805790659	BYPVXSHFGQJEFP-CMPLNLGQSA-N	323.418	1.320	50	20	DDGD	
CC1CCN(c2ccc(C(=O)NNc3ccncn3)cn2)CC1	295530818	RHXGLPZFWZVMBL-UHFFFAOYSA-N	312.377	1.865	50	20	DDGD	
Cc1cc(C(=O)NNc2ncccc2F)ccc1-n1cncn1	804216681	XSEGXSSVTULRFD-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
Cc1cc(C)nc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)c1	801447737	ZPAXOTZXKZDXDX-GFCCVEGCSA-N	321.377	1.437	50	20	DDGD	
Cn1cnc2c(C(=O)NNc3cc(Cl)ccn3)ccnc21	807205415	DUCIMCMPCNRSKP-UHFFFAOYSA-N	302.725	1.774	50	20	DDGD	
Cc1csc([C@@H](C)CNC(=O)NNC(=O)[C@@H]2CCCO2)n1	292336104	OSDKMBCRZVYMJK-WPRPVWTQSA-N	312.395	1.064	50	20	DDGD	
Cc1ccccc1C[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCCO1	291550602	ATDVZYSNQLMQDF-OCCSQVGLSA-N	305.378	1.435	50	20	DDGD	
CC(C)N(C)CC(=O)NNC(=O)Nc1cc(F)cc(F)c1	802005713	UKIZDKCEGSALIW-UHFFFAOYSA-N	300.309	1.458	50	20	DDGD	
COc1ccc(C(=O)NNc2ncccc2F)cc1[N+](=O)[O-]	804215104	CUPRVVGTZSTCNG-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
Cc1c(C#N)cccc1NC(=O)C(=O)NNc1ncccc1F	807300898	MTYIHYWXFCDGQA-UHFFFAOYSA-N	313.292	1.483	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Nc1ccc2c(c1)OCO2)C(C)(F)F	816597296	MJPZUGKVDTYVQP-SSDOTTSWSA-N	315.276	1.859	50	20	DDGD	
CO[C@H]1CCC[C@@H](C(=O)NNC(=O)Cc2ccccc2C)C1	814410309	IBVQQCUGYYQVBV-CABCVRRESA-N	304.390	1.890	50	20	DDGD	
CSc1ccc(O[C@H](C)C(=O)NNc2cnnn2C)cc1	816768841	JIPYYECXMAEWTO-SECBINFHSA-N	307.379	1.448	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)C1CCCC1)c1ccc(Cl)cc1	814990951	LUHDTHGDVJIJJS-HNNXBMFYSA-N	310.781	1.885	50	20	DDGD	
Cn1cc(C=NNC(=O)c2cccc(Br)c2)c(O)n1	814222651	RCTULWGZUFBPKJ-UHFFFAOYSA-N	323.150	1.652	50	20	DDGD	
CCc1nc(C(=O)NN(C)C2CC2)nn1-c1ccccc1F	819648505	GNTQYXKVVXXIKM-UHFFFAOYSA-N	303.341	1.708	50	20	DDGD	
O=C(Cc1cccc(OCc2cccnc2)c1)NNc1nc[nH]n1	816633048	LIFHAYUDOILREL-UHFFFAOYSA-N	324.344	1.465	50	20	DDGD	
COc1nccnc1NNC(=O)c1nc2cnccc2s1	816970792	KMEHJALYHULHSB-UHFFFAOYSA-N	302.319	1.247	50	20	DDGD	
Cn1cc(C=NNC(=O)Cc2cccc3ccccc23)c(O)n1	814217771	MZXVSMAUAKFTAZ-UHFFFAOYSA-N	308.341	1.972	50	20	DDGD	
CC1CCN(C[C@H](C)C(=O)NNC(=S)NC2CCC2)CC1	814191598	MDUHGBVCTKRVNA-LBPRGKRZSA-N	312.483	1.402	50	20	DDGD	
Nc1ncc(C=NNC(=O)CSc2ccccc2O)cn1	814968523	HHCAIUGFDUTSKW-UHFFFAOYSA-N	303.347	1.007	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1nc2ccccc2n1C(F)F	727647725	FBVGPUGFNGKWEU-UHFFFAOYSA-N	309.320	1.833	50	20	DDGD	
Cn1c(CNC(=O)[C@]2(C)C[C@H]2Br)nnc1C1CC1	820102857	GANQNDLAZZYIFO-PRHODGIISA-N	313.199	1.482	50	20	DDGD	
CCOC1CC(O)(CNC(=O)[C@@]2(C)C[C@H]2Br)C1	823308637	ANLBXYDVRHSACA-HHFBNWPWSA-N	306.200	1.206	50	20	DDGD	
Cc1c(NC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)cnn1C	490726974	WMORVLBIABDTDQ-WLRTZDKTSA-N	308.345	1.793	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@H]1C[C@H]1CC(C)C	822194619	HGRQNSRIIYWXDC-CHWSQXEVSA-N	320.389	1.904	50	20	DDGD	
O=C(NNc1ncccn1)N[C@H]1CCN(C2CCCCC2)C1	822531289	CRDJBDCLZBXOBZ-LBPRGKRZSA-N	304.398	1.510	50	20	DDGD	
CNC(=O)NN=C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C	495653879	DBQAOVOFDHOGDU-ZETCQYMHSA-N	312.292	1.747	50	20	DDGD	
COc1cccc2c1OCC[C@H]2NC(=O)NNc1ncccn1	726275208	ZBEUEISSDFJPJM-LLVKDONJSA-N	315.333	1.635	50	20	DDGD	
CCc1ccc(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)o1	821482520	SJQNUSKLRIZETK-UHFFFAOYSA-N	310.317	1.786	50	20	DDGD	
CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)/C(C#N)=C/c1cnn(C)c1	491127409	BBSMNFTXSIBYSU-NMEJBFKPSA-N	316.361	1.175	50	20	DDGD	
CC(C)(C)OC(=O)N1CC=C(C(=O)NNC(=O)C2CCC2)CC1	496654570	IZLHIDJCALKTKL-UHFFFAOYSA-N	323.393	1.501	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc(N2CCOC2=O)c1	495190960	OYAKWIXBWKLABT-JTQLQIEISA-N	320.349	1.842	50	20	DDGD	
CNc1c(C(=O)NNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-]	495409414	YCQOOKVFESUSBJ-UHFFFAOYSA-N	310.310	1.806	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)OC[C@H]2CN(C)C(=O)O2)cc1	496061770	NNEHATDPVQOEKO-WEKMIXOTSA-N	316.313	1.596	50	20	DDGD	
COC[C@]1(CO)CCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)C1	491012360	QYEDTYNHWSNCIG-LEHPZIBWSA-N	318.348	1.590	50	20	DDGD	
Cn1cccc1C(=O)NN=Cc1ccc(N2CCOCC2)cc1	725846230	YJUQBIYKPNAWBE-UHFFFAOYSA-N	312.373	1.626	50	20	DDGD	
C[C@@H](CBr)CN1CCC[C@@H](c2nnc(O)o2)C1	829438927	UBCDEJQHXPYFPX-DTWKUNHWSA-N	304.188	1.986	50	20	DDGD	
C[C@@H]1C[C@@H]1[C@@H](NC(=O)c1cccc(B(O)O)c1)c1ccccc1	584951433	NTTDJSRVBFCDAT-DQYPLSBCSA-N	309.174	1.494	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=C(C)[C@@H]1CCOC1	496347103	WAFSZFIDNUHSKM-CHWSQXEVSA-N	323.393	1.432	50	20	DDGD	
Cc1ccc(O)c(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)c1	826291646	OWAMAYGJNWCRPK-UHFFFAOYSA-N	322.328	1.645	50	20	DDGD	
COc1ccc(OC(C)C)c(NCc2ccc(B(O)O)cc2)c1	585013356	RRTIYOHZJUTZSJ-UHFFFAOYSA-N	315.178	1.774	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)C1CCC(NC(=O)C(C)(C)C)CC1	823928673	QGRKUALJMMGZQA-HIFPTAJRSA-N	313.442	1.051	50	20	DDGD	
OB(O)c1ccc(CNCCCCOc2ccc(Cl)cc2)o1	585022692	WQEJMRADTRUVEA-UHFFFAOYSA-N	323.585	1.562	50	20	DDGD	
CC[C@@H](NCc1ccc(B(O)O)cc1)c1cc(F)ccc1F	585024928	HTNLASNQHLPKOU-MRXNPFEDSA-N	305.133	1.886	50	20	DDGD	
COC(=O)NNC(=O)c1cc(OC)ccc1OC(F)(F)F	496946754	FBNQXLUEBKYDRM-UHFFFAOYSA-N	308.212	1.595	50	20	DDGD	
C[C@@H](CNCc1ccc(B(O)O)cc1F)N(C)c1ccccc1	585016163	SRKZGJARXIFNKX-ZDUSSCGKSA-N	316.185	1.120	50	20	DDGD	
C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)c2ccc(B(O)O)cc2)o1	584926901	GBSUGRZFYOTQQY-XHDPSFHLSA-N	313.162	1.355	50	20	DDGD	
COc1ccc(C(=O)N(C)C)cc1NC(=O)NN(C)C1CC1	824118097	IXGMHCLUSCMSRN-UHFFFAOYSA-N	306.366	1.528	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1nc(Cl)cs1	494624624	LCDIVFHUHNVXGW-UHFFFAOYSA-N	318.786	1.771	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NC[C@@H]1C[C@H]1C1CCC1	822951979	ZSNHNUJWMUDWAJ-KBPBESRZSA-N	302.378	1.391	50	20	DDGD	
COc1ccc(CC(=O)NNC(=S)N[C@H](C)C2CC2)c(C)c1	824446581	NLQJBGBGCUVOFC-LLVKDONJSA-N	321.446	1.840	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](C)C1CCN(C(=O)OCC)CC1	490907713	ILMOTTVEWVOYTE-PBBNAPBQSA-N	323.393	1.804	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2ccnn2CCN(C)C)c1	901167738	LTBSFLQWNSJTIJ-UHFFFAOYSA-N	305.357	1.649	50	20	DDGD	
CCOC(=O)NN=Cc1c(C)n(C)n(-c2ccccc2)c1=O	490539770	DPBJFSSVKHGEOO-UHFFFAOYSA-N	302.334	1.564	50	20	DDGD	
CO[C@H]1COCC[C@@H]1CNC(=O)NNc1cccc(Cl)n1	836571359	AIOMQTHDDCKHPX-ZJUUUORDSA-N	314.773	1.413	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)NNc1nc(-c2ccccc2)no1	732113612	YTBNAZIWRLEUBV-UHFFFAOYSA-N	303.322	1.094	50	20	DDGD	
CO[C@@H]1C[C@@H](NC(=O)NNc2nc(C)cc(C)n2)C12CCC2	838768458	QUOAVMFRWCZFEB-VXGBXAGGSA-N	305.382	1.677	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccc1	836381422	DGMMHPIWGCLQAJ-KGLIPLIRSA-N	321.377	1.274	50	20	DDGD	
C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(B(O)O)ccc1F	584950541	KMHALGFPDQPYKF-HFAKWTLXSA-N	305.158	1.299	50	20	DDGD	
Cc1cc(NNC(=O)NCCN2CCOCC2)ccc1Cl	905155162	PLJFLNSBUVXSIB-UHFFFAOYSA-N	312.801	1.607	50	20	DDGD	
CC(C)O[C@H]1C[C@@H](NCC(=O)NNC(=O)C(C)(C)C)C1(C)C	831359217	SRYYTRGREIYSHS-NEPJUHHUSA-N	313.442	1.362	50	20	DDGD	
CCN(CC)Cc1ccccc1NCc1ccccc1B(O)O	585013541	XAASLWSGYKFPAE-UHFFFAOYSA-N	312.222	1.820	50	20	DDGD	
Cc1nnc(O)c(C(=O)NNc2cc(F)c(F)cc2F)c1C	734553628	VQHWOZUPJUHVRF-UHFFFAOYSA-N	312.251	1.973	50	20	DDGD	
CCOCC(=O)NN[C@H](C(=O)N(CC)CC)c1ccccc1	734850313	ZUJOYFFITGINMZ-HNNXBMFYSA-N	307.394	1.253	50	20	DDGD	
CCS(=O)(=O)CC(C)=NNC(=O)COc1ccc(C)cc1	733746599	VOFFEKZEXWFVKI-UHFFFAOYSA-N	312.391	1.301	50	20	DDGD	
C[C@H](Oc1cccnc1)C(=O)NNc1ccc(C(=O)O)cn1	833543794	WOCSOWATNCSRFZ-VIFPVBQESA-N	302.290	1.085	50	20	DDGD	
O=C(CCc1cc(Cl)ccc1Br)NCB(O)O	585060679	WJYZALBYVABROX-UHFFFAOYSA-N	320.379	1.163	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)C(=O)Nc1ccccc1	732110627	HBPUSEHGHKALDT-UHFFFAOYSA-N	324.300	1.213	50	20	DDGD	
O=C(O)NNC(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1	833281419	ZPNCTNVZGVHFGQ-FQEVSTJZSA-N	311.241	1.618	50	20	DDGD	
O=C(CN1CCc2ccccc21)NNc1nccnc1Cl	734260759	LUALADCQTJQLCG-UHFFFAOYSA-N	303.753	1.636	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)c(C)c1	733804744	LECWJXGVZYWQEE-VNHYZAJKSA-N	317.389	1.430	50	20	DDGD	
CSCCNC(=S)NNC(=O)CC1(C#N)CCCCC1	831575262	CQACUFIFJZWLCI-UHFFFAOYSA-N	314.480	1.709	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)[C@@H](O)c1cccnc1	732284751	ASMZDEDZUUNOBY-INIZCTEOSA-N	313.357	1.285	50	20	DDGD	
Cc1sc(Br)nc1C(=O)NN(C)C[C@H](C)O	910152190	JJNVIJTVPNMRNM-YFKPBYRVSA-N	308.201	1.171	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2	919820442	ARYVRGXALQGXFT-OBJOEFQTSA-N	302.374	1.821	50	20	DDGD	
CC(C)(C)c1ccncc1CNC(=O)NNc1ncccn1	840415834	ZAGIHVAEJREVKG-UHFFFAOYSA-N	300.366	1.995	50	20	DDGD	
Cc1ccc(/C=C(\C#N)C(=O)OCCN2C(=O)CCC2=O)cc1	913234927	ZFEWLPBMBQNYBL-GXDHUFHOSA-N	312.325	1.594	50	20	DDGD	
CC(=NNC(=O)c1ccncc1)c1cccc(OCC(=O)O)c1	916242980	QZZXTXJDLZKYDA-UHFFFAOYSA-N	313.313	1.699	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@]1(N(C)C)CCC[C@H](C)C1	919658250	JJABEAQWPSBHBY-XJKSGUPXSA-N	312.458	1.873	50	20	DDGD	
Cc1cnc(CCNC(=O)NNc2ncncc2F)c(C)c1	848665444	ZCFSIPVDNFHMDB-UHFFFAOYSA-N	304.329	1.496	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)[C@@H]1CCCN1c1ncccn1	748262227	SUCUWRXQTAUHCK-ZDUSSCGKSA-N	319.315	1.867	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNC(=O)c1ncccn1)c1ccccc1	841577251	QBYHMVYOGJVEDY-CYBMUJFWSA-N	313.361	1.818	50	20	DDGD	
NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	848159113	UBOPUVFFZRRWIX-YUMQZZPRSA-N	302.256	1.055	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@H]2CCC[C@H](N)C2)c(F)c1	841981154	SQRSZVKWMMLTJL-QWRGUYRKSA-N	324.356	1.508	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc3n[nH]cc3c2)cc1	746593885	RQKXFVYCZIMUMI-UHFFFAOYSA-N	305.297	1.509	50	20	DDGD	
CC(=O)NNC(=O)CCCCCCNC(=O)OC(C)(C)C	742783033	RAIFZWSFMYVYMW-UHFFFAOYSA-N	301.387	1.629	50	20	DDGD	
C#CCNC(=O)COC(=O)CCCC[C@@H]1CCSS1	748843945	KFIJENCGQFUBBE-LLVKDONJSA-N	301.433	1.993	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1cc(Br)nn1C	842559321	IXXPVPSYADHEKR-VXNVDRBHSA-N	315.171	1.058	50	20	DDGD	
CC[C@H]1CN(C)CCCN1C(=O)/C(C#N)=C\c1cnn(C)c1	846990227	XOUFNAKOQHEUEO-OWTLUSIOSA-N	301.394	1.270	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCC[C@]1(O)CCCOC1	846603100	OHOFXADNXQALPZ-IDKBZEPQSA-N	318.348	1.780	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1ccc2c(c1)OCCO2	748253008	JLSXLCLOWULMKA-GFCCVEGCSA-N	322.361	1.350	50	20	DDGD	
COc1ccccc1C(C)(C)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843646202	IKUZPPSGQZKKQI-VXGBXAGGSA-N	320.389	1.545	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)[C@H]1Cc2ccccc21	743339240	XYOMJKNDVJHFFK-HNNXBMFYSA-N	310.353	1.812	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCOc2cc(C)cc(C)c21	748253350	MKUOADZPQKFXAC-CYBMUJFWSA-N	320.389	1.958	50	20	DDGD	
C[C@@H]1OCCC1=NNC(=O)CSc1nc2ccccc2n1C	747765519	AKXQZDCJJSYMFX-JTQLQIEISA-N	318.402	1.946	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CCCc1ccc(F)cc1	848843504	QDSJUBICMZLLCK-NSHDSACASA-N	324.352	1.638	50	20	DDGD	
NC[C@@H]1CC[C@@H](NC(=O)NNC(=O)CCCc2ccccc2)C1	842009709	GHJHZWKUXADCOG-HUUCEWRRSA-N	318.421	1.467	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1	758724668	MZGJDPAQZMQIIG-FDYHWXHSSA-N	315.414	1.193	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1ccc([S@](C)=O)cc1	753042645	YAGWEYSAQSSIOC-NRFANRHFSA-N	311.407	1.301	50	20	DDGD	
C[C@]1(CNC(=O)CCOCC(F)F)C[C@H]1Br	857390583	GBXMIJXCNSNLPI-GMSGAONNSA-N	300.143	1.948	50	20	DDGD	
CCC[C@@H]1C[C@@H](C(=O)NNC(=O)c2cccc(F)n2)CCO1	856423571	WPKOSGSZIKYZPN-WDEREUQCSA-N	309.341	1.577	50	20	DDGD	
COc1ccc(OC(C)(C)C(=O)NNc2ncncc2F)cc1	854609194	LWIOPPRTGJJSAG-UHFFFAOYSA-N	320.324	1.925	50	20	DDGD	
CC(=O)Nc1cccc(NC(=O)NNC(=O)c2cc(C)[nH]n2)c1	755494288	IHHXFVAMXWNTFD-UHFFFAOYSA-N	316.321	1.143	50	20	DDGD	
O=C(NN=Cc1cc(F)cc(F)c1)[C@@H]1CN2CCC[C@@H]2CO1	853388507	JCZJLKHJCNBBFH-KGLIPLIRSA-N	309.316	1.278	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NNc1cc(F)cc(Cl)c1	855618720	OQWDLPXNUOZLOA-SNVBAGLBSA-N	315.776	1.891	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)CC(F)(F)F)N1CCCCC1	855001198	DVHWTWJVEYXWST-LLVKDONJSA-N	309.332	1.597	50	20	DDGD	
CC#CC[C@H](CO)NC(=O)NC[C@]1(C)C[C@H]1Br	856961220	XIEVIKVLSOIELR-FOGDFJRCSA-N	303.200	1.233	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NC[C@@H]1CSCCS1	756056193	XGDSCAWUNOPRFF-ZCFIWIBFSA-N	317.358	1.118	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1cc(F)ccc1Cl	756342647	SSBJMMDAILDEQU-UHFFFAOYSA-N	311.704	1.977	50	20	DDGD	
CCCCCn1nc(C)cc1NC(=O)NNC(=O)COCC	756868891	YOIUKBLYGDCBGV-UHFFFAOYSA-N	311.386	1.571	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1ccc(-n2cncn2)nc1	754483976	UAFFNHQQXGNERM-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNC(=O)OCC(F)(F)F)cn1	856025066	JDXWSRBWCFQWAI-UHFFFAOYSA-N	321.255	1.802	50	20	DDGD	
CC1=NO[C@@H](C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)C1	854206916	IGAANSJJEXKIHC-CYBMUJFWSA-N	303.362	1.910	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)O1	756901180	IZNBGDYJLHNOHL-CMPLNLGQSA-N	306.318	1.134	50	20	DDGD	
Cn1ncc2c(O)nc(NC[C@@]3(C)C[C@H]3Br)nc21	856785480	JVRSFIIBUKYBHJ-RDDDGLTNSA-N	312.171	1.654	50	20	DDGD	
CCc1ncc(C=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)s1	752163626	ITVISBOCQYFLSC-UHFFFAOYSA-N	319.346	1.960	50	20	DDGD	
O=C(NCCn1cncn1)NNc1cc(Cl)ccc1Cl	752927462	MKRQWEDJKOCTAA-UHFFFAOYSA-N	315.164	1.911	50	20	DDGD	
Cc1nc(SCC(=O)NC[C@@]2(C)C[C@@H]2Br)n[nH]1	857396520	DBUMACUMFRLPOJ-OIBJUYFYSA-N	319.228	1.495	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=S)NCC2CCC2)c1C	855091046	ZRHWDYVIKQYVAR-UHFFFAOYSA-N	323.466	1.901	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@H]2CCN(C(C)(C)C)C2)cn1	855286186	MKZYDEMCIIIECY-GUNGLEHYSA-N	301.394	1.316	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1C(=O)NNC(=O)c1cccc(F)n1	856421801	HDLKIBLNJJTVJG-UHFFFAOYSA-N	319.340	1.327	50	20	DDGD	
Cn1ccnc(NNC(=O)CC[C@H]2CC2(Cl)Cl)c1=O	857144763	RXCGTJMWOHARKQ-ZETCQYMHSA-N	305.165	1.197	50	20	DDGD	
CCC(=NNC(=O)c1ccnc(N(C)C)c1)c1ccn(C)n1	758109074	DMCJQMYPJJXPAY-UHFFFAOYSA-N	300.366	1.425	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc(-c2cnco2)c1	855007208	TYROGRVMVQYFPX-ZWNOBZJWSA-N	315.329	1.528	50	20	DDGD	
CC1(C)C(=NNC(=O)C(=O)Nc2ccccn2)[C@H]2CCCO[C@@H]21	758380540	GCOAFNPRHSANKA-MFKMUULPSA-N	316.361	1.327	50	20	DDGD	
CCCn1nccc1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	850241515	JHWVPSKKLBYBJW-NSHDSACASA-N	324.381	1.032	50	20	DDGD	
CC(C)[C@H](NC=O)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	858551466	HIRSFQDEYMDIOP-NSHDSACASA-N	314.729	1.462	50	20	DDGD	
CC(Cn1cncn1)=NNC(=O)[C@H](C)CN1CCCCCC1	853281537	WHRQDCDIPJVEJS-CYBMUJFWSA-N	306.414	1.282	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cccc(F)c1F	854281110	PPXXRMQUKDXJJJ-UHFFFAOYSA-N	317.361	1.452	50	20	DDGD	
CN1CCC[C@@H]1C(=O)NNc1cc(C#N)ccc1Br	855617555	XKWYFCQVTHHFAU-GFCCVEGCSA-N	323.194	1.858	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](C)Cc2cccc(O)c2)o1	752918000	YNEBKGXDLGKPGP-JTQLQIEISA-N	317.345	1.869	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)c1	858362986	CZYCFKVQGUKPJM-NWDGAFQWSA-N	323.418	1.958	50	20	DDGD	
Cc1ccc(C=NNC(=O)CCCNC(=O)C(C)(C)C)cn1	853408147	KHLZPADQNLDCEJ-UHFFFAOYSA-N	304.394	1.783	50	20	DDGD	
Cc1nc([C@H]2CCOC2)sc1C(=O)NNC(=O)CC(C)C	864725153	ZDXKSGDAXUNKML-JTQLQIEISA-N	311.407	1.763	50	20	DDGD	
CN(C)CCCS(=O)(=O)NC[C@]1(C)C[C@H]1Br	867549069	GUUYXWRZRIBBDC-ZJUUUORDSA-N	313.261	1.031	50	20	DDGD	
CC[C@]1(C(=O)NNc2ncc(Cl)cc2Cl)CCNC1=O	867493404	LDWUQWOJNKODMH-LBPRGKRZSA-N	317.176	1.748	50	20	DDGD	
CCn1cc(C(=O)NNC(=S)NCC2CCC2)c(C2CC2)n1	869217108	NQOIWJMPLAVUKS-UHFFFAOYSA-N	321.450	1.689	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)OC[C@@H]2COC(=O)O2)c1	763896325	LQQUOEMKMOTEAJ-ZRVMKQEGSA-N	303.270	1.681	50	20	DDGD	
Cc1cccc(F)c1NC(=O)C(=O)NNC(=O)CC(F)(F)F	764115985	HHJLNKWZZCCHCS-UHFFFAOYSA-N	321.230	1.172	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)[C@@H](F)c1ccccc1	769380158	YJRGZOQMHDXGTF-HNNXBMFYSA-N	318.304	1.629	50	20	DDGD	
CSCCNC(=S)NNC(=O)CC[C@@H]1CC[C@H](C)O1	769769461	UCWDDAGHIJYINH-UWVGGRQHSA-N	305.469	1.192	50	20	DDGD	
C[C@@H](NNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C(F)(F)F	862310909	AUQMAYRHUQDISY-ZCFIWIBFSA-N	309.248	1.098	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H](F)c1ccccc1	769007171	HKPZHQKQECKKAE-JTQLQIEISA-N	301.412	1.556	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)C(=O)NNc1ccc([N+](=O)[O-])cc1	768250127	QFZQBVMGPJNUFB-UHFFFAOYSA-N	317.305	1.271	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc2c(c1)NC(=O)CO2)C(F)(F)F	862304827	FXVQILUGBWHFQM-ZCFIWIBFSA-N	303.240	1.203	50	20	DDGD	
C[C@@H](NNC(=O)Cn1cnc(-c2ccccc2)n1)C(F)(F)F	862316586	REPXGKXKBRMJKR-SECBINFHSA-N	313.283	1.517	50	20	DDGD	
C[C@H](NNC(=O)c1cccc(C[S@@](C)=O)c1)C(F)(F)F	862306200	GEXSQRFWODQNHT-FFVOIRBGSA-N	308.325	1.750	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1cccc(Cl)c1C	869906284	KNWYPOQWSWUZSZ-UHFFFAOYSA-N	300.742	1.072	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)C(C)(C)O)cnn1C1CCCC1	768244824	ODIFHPZFQOMIIX-UHFFFAOYSA-N	322.409	1.483	50	20	DDGD	
CN=[S@](C)(=O)c1cccc(NC(=O)NN(C)CCOC)c1	879832439	QTZRETVNKMZIGE-OAQYLSRUSA-N	314.411	1.388	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2ccc3nnc(O)n3c2)c1	763102051	XROHZKCCZDZANP-UHFFFAOYSA-N	317.280	1.340	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)c2cccc3ncccc23)co1	772867314	MRMOHPOHLUXPRR-UHFFFAOYSA-N	310.313	1.860	50	20	DDGD	
Cn1c(C(=O)NNc2ccnc(Br)c2)cccc1=O	771561447	PVQBLUIMYXFIQY-UHFFFAOYSA-N	323.150	1.300	50	20	DDGD	
Cc1cccc(-c2noc(SCC(=O)NN(C)C(N)=O)n2)c1	778415603	NFJOBCAXSLIPKA-UHFFFAOYSA-N	321.362	1.179	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Cc1ccccc1CO	779768465	LPBPDAJBXAZCSS-UHFFFAOYSA-N	314.341	1.191	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc(OC(F)F)cc1	872402935	QLCILEGKPHMDLD-UHFFFAOYSA-N	302.277	1.401	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1CCCOc2cc(F)ccc21	875461140	IMBQWNYWDZPVAL-NSHDSACASA-N	311.313	1.952	50	20	DDGD	
COCCOCC(=O)NN=C1CCCC[C@H]1N1CCCCC1	872401585	AUKITQDLCZRFCW-OAHLLOKOSA-N	311.426	1.550	50	20	DDGD	
COc1cccc(C(C)(C)C(=O)NNc2nccn(C)c2=O)c1	879072715	JLEDVXISTFEZSZ-UHFFFAOYSA-N	316.361	1.210	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)c3nc[nH]n3)cc2C1	772710108	ZILJWDMRQNETIS-ZETCQYMHSA-N	305.363	1.066	50	20	DDGD	
CCO[C@@H]1COCC[C@H]1NC(=O)NNc1c(C)cccc1F	771352120	KHLYKYIVRKBLMT-CHWSQXEVSA-N	311.357	1.954	50	20	DDGD	
CC(C)NC(=O)CCCC(=O)NNc1nccnc1C(C)C	772861787	YLQVAXAPHPXNBR-UHFFFAOYSA-N	307.398	1.738	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc2ccccc2o1	771844422	CWLSYCZZLQJJAE-VIFPVBQESA-N	304.302	1.536	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H]2CCCN2C)c1	874949933	ITDGTVQBGRFXTN-CYBMUJFWSA-N	302.403	1.080	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CCCCN1CCOCC1	772874537	CVBPBQPHZNJEEY-UHFFFAOYSA-N	321.425	1.546	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cnccc1N(C)C	776186079	QGVACHBAYOVOEU-UHFFFAOYSA-N	304.379	1.259	50	20	DDGD	
COc1ccc(NC(=O)NNc2ncccn2)cc1NC(C)=O	775474241	KFZQHRDBLWPLSY-UHFFFAOYSA-N	316.321	1.592	50	20	DDGD	
Cc1csc(C(=O)NNc2nc(-c3ccncc3)no2)n1	1116207907	FQMDYLOGBVMZKU-UHFFFAOYSA-N	302.319	1.653	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NOC1CCOCC1	773262219	MYOSUNPUYCLJJU-UHFFFAOYSA-N	321.377	1.450	50	20	DDGD	
C[C@H](CBr)COC(=O)[C@@H]1CCCCS1(=O)=O	772410544	VVBNGMUXYAMKAM-BDAKNGLRSA-N	313.213	1.528	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCc2cnn(CC3CCC3)c2)cn1	887355854	GNFFNQLEBKJKID-FZSIALSZSA-N	324.388	1.640	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1	887140820	SYTLBWUZDHKYPD-ZDUSSCGKSA-N	319.405	1.119	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc(-c2cc[nH]n2)s1	883068733	GGPUIPBCQBSILN-UHFFFAOYSA-N	320.374	1.326	50	20	DDGD	
C[C@@H](C(=O)NNc1c(F)cc(F)cc1F)[C@H]1CCC(=O)N1	885154009	UVZZRWDXWUHJKI-LHLIQPBNSA-N	301.268	1.462	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2c[nH]cc2C)nc1C	778427486	ZGHSFOHEIIOMRE-UHFFFAOYSA-N	303.322	1.355	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NNC(=O)Cc2cccnc2)C1(C)C	775736162	OFWUHIOGFNSUEQ-ZLKJLUDKSA-N	320.393	1.014	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2cccc(N(C)C)c2)no1	887645652	BDYDBNZNJWZDKU-UHFFFAOYSA-N	302.334	1.378	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(C)(C)Oc1ccc(OC)cc1	887151940	PCPFNIXALLOXLA-UHFFFAOYSA-N	318.373	1.804	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cn(C)nc1OC)c1ccccc1	883961257	ZBHPJXNEDZOKNV-LBPRGKRZSA-N	316.361	1.384	50	20	DDGD	
Cc1nc(C(C)C)ncc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	880405765	OMSLYNCMNSVZLJ-GHMZBOCLSA-N	306.366	1.094	50	20	DDGD	
COc1ccc(NNC(=O)CN2Cc3ccccc3C2=O)nc1	781521307	RLBIOMHNPUKXOF-UHFFFAOYSA-N	312.329	1.189	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccccc1-n1ccnn1	785038541	SWCAQXJEAYXTGP-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	883084808	CBIXPPFILCGDSM-YNEHKIRRSA-N	317.393	1.780	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccn(CCc2ccncc2)n1	782576278	ADMYERWOVFFMSO-UHFFFAOYSA-N	316.365	1.330	50	20	DDGD	
Cn1cnc2cc(C(=O)NNc3ncncc3Cl)ccc21	781837208	VUGDRSVZAJTHQX-UHFFFAOYSA-N	302.725	1.774	50	20	DDGD	
O=C(NCc1ccco1)NN=CC1CCC2(CC1)OCCO2	788714453	JLAJFZABTBOEIF-UHFFFAOYSA-N	307.350	1.998	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H](C)c2nc(C)no2)c1	780830429	TXSMQLKEGNAAGD-MRVPVSSYSA-N	319.321	1.552	50	20	DDGD	
CCCc1ccccc1NC(=O)C(=O)NNc1ncc(F)cn1	784955555	GLVKHXSUAAOAMK-UHFFFAOYSA-N	317.324	1.650	50	20	DDGD	
COc1ccc(C(=O)NNc2cccc(OC)n2)c(OC)c1	780772476	BACDFAWCRZJKIL-UHFFFAOYSA-N	303.318	1.864	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2ccccc2C(F)(F)F)CC1	790178990	PRAGINMEAQBIFR-UHFFFAOYSA-N	314.311	1.996	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)c1ccc2c(c1)OCO2	794609987	YEXDTGIBBVNKLM-UHFFFAOYSA-N	301.302	1.381	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1csc(C=O)c1	792799489	ZMUQLAWYVORJHQ-UHFFFAOYSA-N	318.354	1.573	50	20	DDGD	
O=S(=O)(c1ccc(CCCl)cc1)N(CCO)CC1CC1	688310649	LECCBRRECFAJTH-UHFFFAOYSA-N	317.838	1.861	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)COC(F)F)cc2C1	794621904	GJYRWZXJCRHSPP-ZETCQYMHSA-N	318.345	1.873	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1	791101130	ODTVQWARKBQMGJ-UHFFFAOYSA-N	324.362	1.207	50	20	DDGD	
CCc1cccc(OCC(=O)NNc2nc3ccccn3n2)c1	791259544	VVRWFMPCRDORMP-UHFFFAOYSA-N	311.345	1.814	50	20	DDGD	
CSSCCNC(=O)N1CCC2(CC1)CNC(=O)O2	790878856	MKHCSJFOXAXVHN-UHFFFAOYSA-N	305.425	1.282	50	20	DDGD	
COCC[C@@H]1CCCC1=NNC(=O)CNC(=O)c1cccnc1	799880543	DERQFWQCEFGFRF-LBPRGKRZSA-N	318.377	1.120	50	20	DDGD	
Cc1[nH]c2ccc(F)cc2c1C=NNC(=O)N1CCN(C)CC1	790182740	ZMAWLEBOESYXAS-UHFFFAOYSA-N	317.368	1.906	50	20	DDGD	
CCOC1(C)CCN([C@@H](C)C(=O)NNC(=O)CC(C)C)CC1	794631121	FWNUSYWQSUXQFX-ZDUSSCGKSA-N	313.442	1.459	50	20	DDGD	
O=C(NN=C1CC(=O)N2CCCC[C@H]12)c1ccc2c(c1)OCO2	799466754	OVKHIFOQCTZTQR-GFCCVEGCSA-N	315.329	1.286	50	20	DDGD	
CC(C)(C=NNC(=O)CCO)[C@@H](C[N+](=O)[O-])c1ccccc1	1319497112	QEKSSPKGWFKHKS-ZDUSSCGKSA-N	307.350	1.558	50	20	DDGD	
O=C(NNC(=O)C1(O)CCSCC1)c1ccccc1Cl	1319855563	HAHKQOAWMRCGLY-UHFFFAOYSA-N	314.794	1.359	50	20	DDGD	
C[C@@H](C(=O)NNc1ncnc2[nH]cnc12)c1ccc(F)cc1F	1322146366	ZQHCPHGAVQIOIU-SSDOTTSWSA-N	318.287	1.878	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccc(F)c2C#N)cc1	1320603509	DHJHVEGJBBJCFC-UHFFFAOYSA-N	313.288	1.781	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1cnn(C2CCCCC2)c1	1325321177	NAFCSWWDFINCDZ-UHFFFAOYSA-N	316.365	1.115	50	20	DDGD	
CC(C)C[C@H](C(=O)NNc1ccn(C)n1)N1CCCCC1=O	1324864664	OPSRJIOWJHSPCS-GFCCVEGCSA-N	307.398	1.290	50	20	DDGD	
C=C[C@H](COC)NC(=O)NN=c1sc2ccccc2n1C	1255012964	DHYOMFXWQLSRAT-SNVBAGLBSA-N	306.391	1.556	50	20	DDGD	
CN1C(=O)[C@@H](I)CCn2c1cccc2=O	1690108284	WTRRPYDPIOXDHJ-ZETCQYMHSA-N	318.114	1.018	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=S)NCC1CCC1	1338379019	VIMRWOOXJWSLSW-UHFFFAOYSA-N	312.464	1.769	50	20	DDGD	
CC1(C)C[C@@H](C(=O)NNC(=S)Nc2ccccn2)CCO1	1262638292	TWHGRWJCGNFYHR-JTQLQIEISA-N	308.407	1.604	50	20	DDGD	
Cc1sc(Cl)nc1C(=O)NNc1nncc(N)c1Cl	1343723513	ZCVSZDMOVAEUKC-UHFFFAOYSA-N	319.177	1.887	50	20	DDGD	
CN(C)C(=O)N1CCN(C(=O)C2CCC(Cl)CC2)CC1	1520028868	ADMORWDEBXFSAF-UHFFFAOYSA-N	301.818	1.610	50	20	DDGD	
O=C(O)/C=C/c1ccc(C=NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)o1	1608658734	CEKNPHGEJCYMDU-MBJGAVQRSA-N	304.302	1.395	50	20	DDGD	
CCOC1(C(=O)NNc2cccc(C(=O)O)c2)CCOCC1	1605595617	DCQXIGTYDRBJAR-UHFFFAOYSA-N	308.334	1.414	50	20	DDGD	
Cc1cc(NNC(=O)CC2(CC(=O)O)CCCC2)nc(N)n1	1600282955	GSSLEGGRHPTMPO-UHFFFAOYSA-N	307.354	1.236	50	20	DDGD	
O=C(NNC(=O)[C@]1(C(=O)O)CC=CCC1)OCC(F)(F)F	1605814488	CXSBKAZFCTXJID-JTQLQIEISA-N	310.228	1.117	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c(C(=O)O)c1)Nc1ccc(Cl)cc1	1608479183	QWPSHRCRLYTYCZ-UHFFFAOYSA-N	322.708	1.833	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)C(C)(C)C)ccc1C(=O)O	1610302260	RHCSRJAPEYRYDY-UHFFFAOYSA-N	309.322	1.592	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2cccc(CC(=O)O)n2)n1	1610457359	KSIUPLJVWOTSKG-UHFFFAOYSA-N	316.321	1.264	50	20	DDGD	
Cn1cc(NC(=O)NNc2ncccc2Cl)cc1C(=O)O	1610605903	LMPSPOJZSHLCMH-UHFFFAOYSA-N	309.713	1.920	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)ccc1F	1549317053	JIIRKMCGXUKEJW-SWLSCSKDSA-N	321.352	1.148	50	20	DDGD	
CCc1nc(CNC(=O)NNc2ccc(C(=O)O)cc2F)co1	1610071305	CEBRKKQPUXKBEP-UHFFFAOYSA-N	322.296	1.901	50	20	DDGD	
CC[C@](C)(C=NNC(=O)[C@H]1CCCO[C@H]1c1nccn1C)OC	1549315432	LJABJLCYNLXLRT-WOSRLPQWSA-N	322.409	1.805	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)N[C@@H]1CCCNCC1	1610701053	FUYRHUBCAGLTGZ-SECBINFHSA-N	310.329	1.292	50	20	DDGD	
O=C(NN=C1CCC[C@@H]1CCCF)[C@H]1CN2CCC[C@@H]2CO1	1549320344	LYUWANAUOJVLLJ-UMVBOHGHSA-N	311.401	1.872	50	20	DDGD	
CNNC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O	1578744393	GTCZUFBRBPPKNI-QMMMGPOBSA-N	302.161	1.597	50	20	DDGD	
Cc1ccccc1C[C@H](C)C(=O)NN(C)C(=O)N1CCNCC1	1579796627	DVTAANFFOCJQDG-AWEZNQCLSA-N	318.421	1.162	50	20	DDGD	
NC1(C(=O)NNC(=O)Cc2ccccc2F)CC2(CCC2)C1	1580139240	BXSCTGYHDLNBOB-UHFFFAOYSA-N	305.353	1.177	50	20	DDGD	
O=C(CC1CCNCC1)NNc1cccc2c1OC(F)(F)O2	1580510842	ISYHNXKONAWUKL-UHFFFAOYSA-N	313.304	1.841	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(F)c(C(=O)O)c1)c1ccnn1C	1589424702	ZWPSBJNHLAUPBN-QMMMGPOBSA-N	306.297	1.504	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H]1CNC[C@H]1Cc1ccccc1	1580509368	VYSVNYJRZVGQJR-HUUCEWRRSA-N	301.390	1.012	50	20	DDGD	
CCO/C=C/C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1846501094	NAIQHSWAHPXRGX-ZPMKCOPCSA-N	304.749	1.274	50	20	DDGD	
CCc1[nH]c(C=NNC(=O)Cc2ccccn2)cc1C(=O)O	1597380582	RECIVMIIFWSQDS-UHFFFAOYSA-N	300.318	1.363	50	20	DDGD	
CC[C@H](C(=O)NNc1ccc(F)c(C(=O)O)c1)N1CCCC1=O	1594736810	ONLNPVCGTWHGRB-GFCCVEGCSA-N	323.324	1.368	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)c1nccs1	1593161986	KRUXYNBIYVXTFN-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
CCn1nc(C)cc1C(=O)NNc1cccc(C(=O)O)c1F	1597943503	ZKNCYEZEZADYHQ-UHFFFAOYSA-N	306.297	1.806	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@H]1CCC(C)(C)O1	1599375948	JCDPBCYTOSFLRE-LLVKDONJSA-N	308.334	1.794	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)c2ncccn2)c(Cl)c1	1776081394	MJOMWDFFUIQVGM-UHFFFAOYSA-N	304.693	1.592	50	20	DDGD	
O=C(CNC(=O)C1CCCCC1)NNC(=O)c1ccccc1	13985159	ASLMVOFQZKZJCD-UHFFFAOYSA-N	303.362	1.144	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCCC2CCC2)cc1	151989693	OQTFELUMTGJXCJ-UHFFFAOYSA-N	305.378	1.894	50	20	DDGD	
COc1ccc(NNC(=O)CCc2cnn(C)c2)c([N+](=O)[O-])c1	155203973	DJUUSENIYYRTSN-UHFFFAOYSA-N	319.321	1.413	50	20	DDGD	
COc1ccc(NNC(=O)c2cccc(CN(C)C)c2)nc1	159459450	SSVIEQYKOMZHNO-UHFFFAOYSA-N	300.362	1.909	50	20	DDGD	
O=S(=O)(CBr)N1CCOc2ccccc2C1	127354855	WANCDZNQCXLICC-UHFFFAOYSA-N	306.181	1.563	50	20	DDGD	
CCOCC(=O)NNC(=O)c1ccc(OCCC(C)C)cc1	10284975	KBCQYIYGZICREH-UHFFFAOYSA-N	308.378	1.909	50	20	DDGD	
CCOC(=O)NNC(=O)c1cccc(NC(=O)NC2CC2)c1	54821067	WHFYFOIWQIDNHP-UHFFFAOYSA-N	306.322	1.361	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NCCC(C)C	9748104	UDMXPHGUPHEJLQ-UHFFFAOYSA-N	303.366	1.633	50	20	DDGD	
N#Cc1ccsc1C(=O)NNC(=O)COc1ccccc1F	52033739	OIIOMGVDEXQRSI-UHFFFAOYSA-N	319.317	1.599	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1cc(F)c(F)cc1F)C(C)C	115719022	HPRGUCYCFRJAEU-GFCCVEGCSA-N	303.284	1.708	50	20	DDGD	
CC(C)(C)CC(=O)NN/C=C1/C(=O)NC(=O)c2ccccc21	171261556	VUSDYNIOLOKXIT-FMIVXFBMSA-N	301.346	1.355	50	20	DDGD	
C[C@H]1CCCC[C@H]1CNC(=O)NNC(=O)Cc1ccncc1	176271099	YXXMAASYWAZBIQ-JSGCOSHPSA-N	304.394	1.781	50	20	DDGD	
CCCCNC(=O)NNC(=O)CSc1ccc(C#N)cc1	103074780	MDHSYDBTBMCICT-UHFFFAOYSA-N	306.391	1.781	50	20	DDGD	
CCN(C)[C@@H](C(=O)NNC(=O)c1ccncc1)c1ccccc1	109245672	MOMLSFPNJSSUHK-OAHLLOKOSA-N	312.373	1.536	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)[C@@H]1CCCO1	116174082	YCCHBWHQDGBFBR-SBMIAAHKSA-N	310.300	1.395	50	20	DDGD	
COc1ccc(C(=O)NNc2nccnc2Cl)cc1[N+](=O)[O-]	114897511	PFXKJYJOTBOUDE-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(OC)c(C)c(OC)c1	64426277	CLAFHWCPIMEASJ-UHFFFAOYSA-N	309.366	1.756	50	20	DDGD	
CCC(C)(C)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O	171265494	NAJAHFCDCTXKGS-UHFFFAOYSA-N	316.361	1.775	50	20	DDGD	
CCc1nc(CC(=O)NNc2nc(C)cc(OC)n2)cs1	174472616	NKNXIWVGGYHQSB-UHFFFAOYSA-N	307.379	1.498	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCc1cnn(C)c1)c1ccccc1	171839340	RRNKOQJYQSQTJT-CQSZACIVSA-N	315.377	1.444	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCC(=O)c1ccc(C)cc1	65208467	HJLPADUYPILASZ-UHFFFAOYSA-N	321.377	1.325	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCCCN1CCCC[C@H]1C	66699758	DZBZPZDKYISCNN-CYBMUJFWSA-N	314.430	1.008	50	20	DDGD	
O=C(NNc1ccc(Cl)c(F)c1)N[C@@H]1CCS(=O)(=O)C1	175147430	WNNRXGHDMWPKNT-MRVPVSSYSA-N	321.761	1.292	50	20	DDGD	
C[C@@H]1COCCN1CCNC(=O)NNc1ccc(F)c(F)c1	1354149533	RAHWMVNLDMJJPC-SNVBAGLBSA-N	314.336	1.312	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1noc2c1CCCCC2	121646618	QBCAHXLUFHLYCO-UHFFFAOYSA-N	313.321	1.367	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(N)c([N+](=O)[O-])c2)nc(C)n1	128894554	IAHKIPYUFGGUJA-UHFFFAOYSA-N	302.294	1.341	50	20	DDGD	
CC(C)c1ccc(OCCC(=O)NNC(=O)[C@@H]2CCCO2)cc1	67164113	FQZMHLMXBZIBLI-HNNXBMFYSA-N	320.389	1.905	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C)o2)cc1	129637042	JNWYIHZQEOCQCD-UHFFFAOYSA-N	315.329	1.550	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1Cl	32259141	YDXLYNXWDRFOHJ-JTQLQIEISA-N	313.697	1.188	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cnc(Cl)c(C)c1	124656464	KKPCFCJDUFKTRN-ZETCQYMHSA-N	312.757	1.175	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)NCC(F)F	73149485	STXPXNBCBOANIO-UHFFFAOYSA-N	306.700	1.619	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2ccc(C)cc2C)n1	181515524	FZYORICRLVPHAV-UHFFFAOYSA-N	314.345	1.789	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)N[C@H]1CCC[C@H]2OCC[C@H]12	189584537	JJAOORVDRTUCNT-GRYCIOLGSA-N	316.365	1.313	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc3[nH]c(=S)oc3c2)cn1	73796290	GLDOSIMCXIFZQD-UHFFFAOYSA-N	317.330	1.299	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1ccc(-n2ccnn2)cc1	184787701	VFTYKOPHOIGRLT-UHFFFAOYSA-N	323.316	1.129	50	20	DDGD	
CCc1cc(C(=O)NNc2cc(F)cc(OC)c2)cc(=O)[nH]1	182366660	ITMKWRGNWBOJPO-UHFFFAOYSA-N	305.309	1.842	50	20	DDGD	
COc1cccc([C@H](O)C(=O)NNc2ccc([N+](=O)[O-])cc2)c1	124251250	ICAJZSRCKFPFFH-AWEZNQCLSA-N	317.301	1.780	50	20	DDGD	
CCCc1csc(NC(=O)NNC(=O)c2cnn(C)c2)n1	184024405	QOZBXNHEHJRIMN-UHFFFAOYSA-N	308.367	1.296	50	20	DDGD	
O=C(NNc1ccccn1)C1=NN(Cc2ccccc2)C(=O)CC1	181206730	LPVBKEFKXDURRO-UHFFFAOYSA-N	323.356	1.703	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1ccc(C)cc1	78394378	SDUNWHZAAFFJAG-UHFFFAOYSA-N	313.357	1.877	50	20	DDGD	
CCO[C@@H]1CCCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1	76401981	UUQHHQVGFJYMEY-CQSZACIVSA-N	323.368	1.088	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCC(=O)NC2CC2)cc1	214388388	MBAZTJLTDDQRPC-LCYFTJDESA-N	314.341	1.814	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H]1CN(CC)CCO1)c1ccccc1	73552765	ZXSFRUVJFURPRQ-CABCVRRESA-N	319.405	1.048	50	20	DDGD	
Cc1cccc2c1N(C(=O)C(=O)NNc1ccnc(F)c1)CC2	190295600	FUOGGMUWEIARCE-UHFFFAOYSA-N	314.320	1.562	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccc(C#N)cc1)C1CCOCC1	134707697	RFDCNXUSXXWJIN-NSHDSACASA-N	316.361	1.317	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNC(=O)c2ccc(Cl)nc2)[nH]n1	131612337	ANRKVITYPDCHNC-UHFFFAOYSA-N	321.768	1.830	50	20	DDGD	
CCN1CCO[C@@H](C(=O)NNc2ccc(Cl)c(F)c2)C1	130715854	WLSJMHMUHGMGKE-GFCCVEGCSA-N	301.749	1.643	50	20	DDGD	
COc1cc(CNC(=O)NNc2cccc([N+](=O)[O-])c2)ccn1	45494585	OQOZHAVJGFYLPL-UHFFFAOYSA-N	317.305	1.825	50	20	DDGD	
O=C(NNC(=O)c1ccc([N+](=O)[O-])o1)c1cccc(Cl)c1	193263324	CJAZDGJRBSTRTE-UHFFFAOYSA-N	309.665	1.916	50	20	DDGD	
Cc1[nH]c2ccc(Cl)cc2c1C(=O)NNC(=O)C(C)(C)O	192926284	NDKGVAADECZWTJ-UHFFFAOYSA-N	309.753	1.662	50	20	DDGD	
Cc1cc(C)cc(OCCC(=O)NNC(=O)c2ccncc2)c1	193124216	QKVSSOYAXLDPTJ-UHFFFAOYSA-N	313.357	1.929	50	20	DDGD	
Cc1cccc([C@@H]2CCCN2CC(=O)NNC(=O)C2CC2)n1	140262545	YMLSRLLYADWEOE-AWEZNQCLSA-N	302.378	1.084	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2	246718874	UVTPMBPRYXYUIS-SOUVJXGZSA-N	302.374	1.787	50	20	DDGD	
COc1ccc(C(=O)NN=C2C(=O)N(C)c3ccccc32)cc1	254510689	GTXZZASNTXHUQN-UHFFFAOYSA-N	309.325	1.806	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCCC(F)(F)F)n1	266999680	ZYUDAYIOXPAKAC-UHFFFAOYSA-N	307.276	1.762	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2c(C)nn(C)c2C)s1	268227038	UNBGGDHIWGFCBW-UHFFFAOYSA-N	322.390	1.247	50	20	DDGD	
Cc1cc(NNC(=O)CCNC(=O)OC(C)(C)C)nc(C)n1	265498699	BKJJDZVZCRRGHN-UHFFFAOYSA-N	309.370	1.451	50	20	DDGD	
CSCC[C@H](NC(N)=O)C(=O)NNc1ccccc1F	269602503	IYEFMMNXDYRRJH-JTQLQIEISA-N	300.359	1.059	50	20	DDGD	
CCC(=O)N[C@H](CCSC)C(=O)NNc1cccc(F)c1	269601933	YUHZHLCLTWPVHP-GFCCVEGCSA-N	313.398	1.917	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCc2ccn(C)c2)cc1	267079617	MRJBQQKDANKANQ-UHFFFAOYSA-N	316.361	1.243	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@H]2C[C@]23CCOC3)cc1	369934063	QINGJCGXMKDANU-PBHICJAKSA-N	318.373	1.202	50	20	DDGD	
Cc1nn(C)cc1CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	273131007	BCSSEVNQQYGVJH-LHHJGKSTSA-N	322.372	1.471	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1cccc(N2CCCCC2=O)c1	273196934	KGKQYFGDSLJSDB-UHFFFAOYSA-N	316.361	1.766	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C1(C)COC(C)(C)OC1	272132443	SMHBPRPWWNECRZ-UHFFFAOYSA-N	322.361	1.245	50	20	DDGD	
COC(=O)c1[nH]c(C)c(C(=O)NNc2ccc(OC)cn2)c1C	275476614	FLFDTAURUCBUIH-UHFFFAOYSA-N	318.333	1.579	50	20	DDGD	
COC(=O)c1cc(S(=O)(=O)N2CC=C(C#N)CC2)oc1C	273683914	KSLZNJRQWOVWRA-UHFFFAOYSA-N	310.331	1.219	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccc2c1OCC2(C)C	278955069	KCCBOEIHFIJLQW-UHFFFAOYSA-N	305.403	1.652	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1C(=O)NNc1cc(Cl)nc(N)n1	272607260	QXJQGLZZUVRZJV-UHFFFAOYSA-N	323.788	1.500	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2	271362557	NTRJDSRIRLVHCM-QMMMGPOBSA-N	322.390	1.425	50	20	DDGD	
COc1cccc(NNC(=O)CSc2nc(C)cc(C)n2)n1	272477442	BLXLPJXMOPTGHO-UHFFFAOYSA-N	319.390	1.732	50	20	DDGD	
CC[C@@H]1C[C@@H](C(=O)NNc2ccc(-n3ccnc3)nn2)CCO1	286781237	XDACMCVCDUUHGY-NWDGAFQWSA-N	316.365	1.311	50	20	DDGD	
CCCN(NC(=O)C(=O)c1cnn(C)c1)C(=O)OC(C)(C)C	286627128	WGZXJVVOHKPGKH-UHFFFAOYSA-N	310.354	1.281	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)c1c[nH]c2ccccc12	282827450	ZCTRMIDTQLXTQI-RBZYPMLTSA-N	301.346	1.742	50	20	DDGD	
COC1(C(=O)NNC(=O)c2cc3ccccc3o2)CCOCC1	285228209	KLONUGBFDTZXHL-UHFFFAOYSA-N	318.329	1.389	50	20	DDGD	
C=CCCCCNC(=O)NNc1ccc(-n2ccnc2)nn1	286850584	QFPRDGKWLPGLTB-UHFFFAOYSA-N	301.354	1.645	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)c1ccc2c(c1)OCCO2	285465436	NLBCTUMWQBOIHD-UHFFFAOYSA-N	315.329	1.423	50	20	DDGD	
Cc1n[nH]c(SCC(=O)NNc2ccc([N+](=O)[O-])cc2C)n1	288570339	FZMLNFPJFKFWIM-UHFFFAOYSA-N	322.350	1.565	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)Nc2cccc(Cl)c2)CCC(=O)NC1	283745347	JICARUZMAPGCTF-CQSZACIVSA-N	324.768	1.409	50	20	DDGD	
CC(=NNC(=O)CNc1ccccc1F)c1cn(C)c(C)n1	800804888	LJQVMXOZQRBKQS-UHFFFAOYSA-N	303.341	1.820	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCc2ccco2)c(C2CC2)n1	291587313	VPCMHQHBIQVAQD-UHFFFAOYSA-N	303.322	1.035	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)[C@@H]2CCCCO2)cc1C	295761095	QBMNJOPINQWMIN-HNNXBMFYSA-N	320.389	1.789	50	20	DDGD	
O=C(CSCC1CC1)NNC(=O)c1cccc([N+](=O)[O-])c1	291673405	WCYYRRMWAAKWJA-UHFFFAOYSA-N	309.347	1.499	50	20	DDGD	
COc1ncccc1CCNC(=O)NNc1nc(C)cc(C)n1	290882239	GGYUNWNUEOGYBZ-UHFFFAOYSA-N	316.365	1.366	50	20	DDGD	
CN(C)CCn1nccc1NC(=O)NNc1c(F)cccc1F	297302195	HOAXSBRPMCXBPE-UHFFFAOYSA-N	324.335	1.872	50	20	DDGD	
COCc1ncsc1C(=O)NN(C)C(=O)OC(C)(C)C	297290956	PYDKYZWCGJHLQN-UHFFFAOYSA-N	301.368	1.801	50	20	DDGD	
O=C(CCCc1nc(C2CC2)no1)NNc1cccc(F)n1	804767635	CQYFUSCDYOGSSY-UHFFFAOYSA-N	305.313	1.947	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N=c2cc[nH]cc2)cc([N+](=O)[O-])c1	802030977	BAOWXAIHCFCUPY-UHFFFAOYSA-N	315.289	1.187	50	20	DDGD	
COc1ccc(C)nc1NC(=O)NNC(=O)[C@@H]1CCCCO1	297295215	WJZPZQOOXIFBPW-NSHDSACASA-N	308.338	1.120	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cnc2[nH]c(O)nc2c1	809722875	LRQADGDAPJYMKB-UHFFFAOYSA-N	314.261	1.329	50	20	DDGD	
CCCc1nnc(SCC(=O)NNc2ccccc2F)n1N	292224383	QTJAYNPUVCLNGI-UHFFFAOYSA-N	324.385	1.319	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C(C)(Cl)Cl	807371072	CJBAZEQTGXFOET-UHFFFAOYSA-N	301.170	1.117	50	20	DDGD	
Cc1ccc(F)c(S(=O)(=O)NNC(=O)[C@@H]2CCCCO2)c1	296689212	JOPQREUUAGVISL-NSHDSACASA-N	316.354	1.013	50	20	DDGD	
CO[C@H]1COC[C@@H]1NC(=O)NNc1ccc(OC(F)F)cc1	291133664	GMVPATYHVOLACF-QWRGUYRKSA-N	317.292	1.328	50	20	DDGD	
Cc1ccccc1C[C@@H](C)NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	297449749	SLEJCMDBFVKKIR-IPYPFGDCSA-N	319.405	1.824	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1C1CC1)Nc1cc(F)cc(F)c1	802002942	GNEHHZUUAGIAQD-ZDUSSCGKSA-N	324.331	1.744	50	20	DDGD	
COCCN(C)NC(=O)c1cc(Br)c(O)nc1C	297044068	JRHDKJISTFVOBB-UHFFFAOYSA-N	318.171	1.081	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)Cn2nc(C)cc2C)[C@@H]1SC	807954824	DXVYELALGAUFKC-OCCSQVGLSA-N	310.423	1.513	50	20	DDGD	
CN(NC(=O)c1ccc(-n2ccnc2)nc1)C(=O)OC(C)(C)C	297583180	HZFLNRAEXRULLC-UHFFFAOYSA-N	317.349	1.779	50	20	DDGD	
CC(C)(CCC(=O)NNC(=O)COCc1ccccc1)[N+](=O)[O-]	295832622	MSUKRWFTKFFPHG-UHFFFAOYSA-N	323.349	1.186	50	20	DDGD	
CCOc1ccccc1C(F)(F)C(=O)NN(C)CCOC	297103397	NONQFVPSSXHJRL-UHFFFAOYSA-N	302.321	1.787	50	20	DDGD	
CC(C)Sc1ccccc1C(=O)NNC(=O)N1CCOCC1	299386604	PZEXVGGIKASFJO-UHFFFAOYSA-N	323.418	1.874	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CCc1cccc(C)c1	807368612	HFCFXHXJIGTPJI-UHFFFAOYSA-N	322.405	1.864	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2CC[C@@H](C(=O)O)C[C@H]2C)n1	814752752	BZOUWRPICJQGPJ-BXKDBHETSA-N	306.366	1.493	50	20	DDGD	
Cn1c(NNC(=O)c2ccc3nnc(O)n3c2)nc2ccccc21	816577236	CEQJBOKJKFOUFA-UHFFFAOYSA-N	323.316	1.079	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2nc(C)oc2C)cn1	814313678	GBIFIMDAIWQQPO-UHFFFAOYSA-N	321.362	1.326	50	20	DDGD	
CCN(CC)c1ncc(C=NNC(=O)Cc2cc[nH]n2)s1	814956340	SHYXVOVEHIQJMS-UHFFFAOYSA-N	306.395	1.405	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1ccnn1-c1ccc(F)cc1	814955907	CKZFQZXIUFALCL-UHFFFAOYSA-N	312.308	1.427	50	20	DDGD	
C#CCOc1ccc(NC(=O)NNc2ncncc2F)cc1	814635138	PNYFWFDSJFVICQ-UHFFFAOYSA-N	301.281	1.776	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1c2c(cc3c1CCC3)CCC2	810385784	ZIHFBWVTJKZUKQ-UHFFFAOYSA-N	315.373	1.160	50	20	DDGD	
CCCCCC1=CCCC1=NNC(=O)[C@H](C)NS(C)(=O)=O	728437850	XGKNWHWQRBSSKJ-NSHDSACASA-N	315.439	1.697	50	20	DDGD	
CON(C)C(=O)CNC(=O)NNc1ccc(Cl)c(F)c1	817797802	WICROMIZUBEGGW-UHFFFAOYSA-N	304.709	1.125	50	20	DDGD	
CN(C)c1nccc(CNC(=O)NNc2cccc(Cl)n2)n1	814317246	DTDIMEGTUOYUAI-UHFFFAOYSA-N	321.772	1.417	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1cccc(OCCN(C)C)c1	727647829	JWLFKDOVNDCYIB-UHFFFAOYSA-N	306.410	1.029	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1cncc(-n2ccnn2)c1	819842996	GWBJCYOPCPTVSM-UHFFFAOYSA-N	300.149	1.538	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)NCCc1cccs1)C1CC1	813423859	BADBHVSCACDCID-AWEZNQCLSA-N	311.407	1.436	50	20	DDGD	
O=S(=O)(CBr)NC[C@H](CO)C1CCCCC1	815074824	FTUREZZIOHIIHF-SNVBAGLBSA-N	314.245	1.447	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)OCCCS(C)(=O)=O)cc1	728616375	UNQUSZZBLSTCPU-JLHYYAGUSA-N	323.370	1.580	50	20	DDGD	
CC[C@@H](OC1CCCCC1)C(=O)NNC(=O)c1ccnnc1	817694045	ZZVITHFZUKFOFK-CYBMUJFWSA-N	306.366	1.366	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CCn2ccnc2)c1C	725881075	FEIUZZUXUHPFDM-UHFFFAOYSA-N	317.418	1.908	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cn(C)c3ccccc23)CO1	825552150	SFXVKLBEUHXSOC-GHMZBOCLSA-N	316.361	1.300	50	20	DDGD	
COC(=O)C[C@H]1CCCCN1C(=O)/C(C#N)=C/c1cnn(C)c1	822726102	MNGYGMUYNRYHBD-WTWVRAIASA-N	316.361	1.271	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNC(=O)COc1cc(C)ccc1C	820630152	KMQNPUQSRLDLCZ-CQSZACIVSA-N	317.389	1.815	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(Cl)ncc1F	823476498	ZKKDOPPNOOFMLB-NKWVEPMBSA-N	301.705	1.060	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@H](C)OC)cc1F	822645112	PROJQNXXWIWEKP-ZETCQYMHSA-N	301.343	1.187	50	20	DDGD	
COc1ccc(C=NNC(=O)CNC(=O)OC(C)(C)C)cn1	495907399	ABDPOHCJQSGVEL-UHFFFAOYSA-N	308.338	1.065	50	20	DDGD	
COc1ccc(OC)c(C(=O)NNC(=S)NCC2CCC2)c1	727866474	JXZFTBPWIGSZDX-UHFFFAOYSA-N	323.418	1.613	50	20	DDGD	
CC(=NNC(=O)NC(C)C)c1ccc(-c2nn[nH]n2)c(F)c1	823948398	KTAUCMOIMRRBPU-UHFFFAOYSA-N	305.317	1.437	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ncccn1)CNC(=O)OC(C)(C)C	495859783	SHCVZAGUJQQVFP-JTQLQIEISA-N	324.385	1.264	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)CC(N)=O)c1C	491174499	HPDZFGASMSWCAQ-PDICVPPASA-N	316.405	1.802	50	20	DDGD	
COCC[C@@]1(NC(=O)/C(C#N)=C\c2ccc(O)cc2)CCOC1	491106492	SLSLRJMASDCNSM-OOXMNIKJSA-N	316.357	1.611	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCc2cc(F)ccc2[C@H]1C	827867618	ZTIUCHIDYDKPED-LLVKDONJSA-N	307.369	1.548	50	20	DDGD	
Cn1nc(C(F)(F)F)cc1C(=O)NNC(=O)CC1CCCC1	825670526	QRPZLJJGJIGKBL-UHFFFAOYSA-N	318.299	1.780	50	20	DDGD	
C[C@H]1[C@H](C)CCC[C@H]1CNC(=O)c1cc(B(O)O)ccc1F	584981932	BPNIPJKTGLQUIB-WOPDTQHZSA-N	307.174	1.308	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)CCOc1ccccc1)C(C)(C)C	491813170	QFADQCWPLVFJDK-AWEZNQCLSA-N	317.389	1.834	50	20	DDGD	
CN1CC[C@@H]2CN(C(=O)[C@]3(C)C[C@H]3Br)C[C@@H]2C1	908295154	ZKEHQZNCRCVFKL-LSCVPOLPSA-N	301.228	1.570	50	20	DDGD	
CCCC[C@](C)(F)C(=O)NNC(=O)COc1ccccc1O	826773601	CEKQHVGTGOTNGS-HNNXBMFYSA-N	312.341	1.837	50	20	DDGD	
Cc1ccc([C@@H](CF)NCc2ccc(B(O)O)cc2F)cc1	585045918	OIBDBDPQKIAYKO-MRXNPFEDSA-N	305.133	1.614	50	20	DDGD	
CSSCCNC(=O)N1CCC[C@@H](OC(=O)N(C)C)C1	496965172	XLIXHYLIHIBMEV-SNVBAGLBSA-N	321.468	1.870	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)NNC(=O)c1cc[nH]n1)C(F)(F)F	822983011	VKZGMTIBTJMBJZ-XPUUQOCRSA-N	307.276	1.331	50	20	DDGD	
C[C@H](NC(=O)[C@]1(C)C[C@@H]1Br)[C@H](C)N1CCOCC1	906584453	WCQFWKHEKUFXMQ-MRBYEJRBSA-N	319.243	1.385	50	20	DDGD	
O=C(CCN1CCOC1=O)NNc1ncc(Cl)cc1Cl	495512972	PVQRJLJTNAKZGT-UHFFFAOYSA-N	319.148	1.674	50	20	DDGD	
Cc1ccccc1C[C@H](C)NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	825742926	HJPVBILYLZBLIV-YDHLFZDLSA-N	319.405	1.681	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C	496865469	RAQZFVMXFQBMFD-WDEREUQCSA-N	315.414	1.729	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)cc1C	908517756	PMBFMGJNUUOFHF-CQSZACIVSA-N	304.346	1.528	50	20	DDGD	
Cc1ccccc1C=NNC(=O)Cc1cc(O)nc(S)n1	730588422	YLFZIAYOVOWGLY-UHFFFAOYSA-N	302.359	1.472	50	20	DDGD	
O=C(O)NCCCC(=O)NNc1cccc(C(F)(F)F)n1	739956796	LTVUZBPSMSMASL-UHFFFAOYSA-N	306.244	1.591	50	20	DDGD	
C[C@H](C#N)Oc1ccc(/C=C(/C#N)S(=O)(=O)N(C)C)cc1	588615637	AJHSGVAFTQPJHL-ZEVOCZHWSA-N	305.359	1.733	50	20	DDGD	
COc1cc(CC(C)=NNC(=O)NCC(F)(F)F)ccn1	834941870	LDQNGOZQDRWMLA-UHFFFAOYSA-N	304.272	1.870	50	20	DDGD	
Cc1nnc(NNC(=O)C[C@@H](C)c2cccc(F)c2)nc1O	734861843	APMNEMRBJBBWNS-MRVPVSSYSA-N	305.313	1.662	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccccc2NC(=O)O)n1	738379667	PHUFXRBYXQZULL-UHFFFAOYSA-N	301.306	1.940	50	20	DDGD	
C[C@H](Cc1cccs1)NC(=O)NNC(=O)[C@@H]1CCCCO1	836215719	DURSFXDEQCOWMX-PWSUYJOCSA-N	311.407	1.579	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)c1cnn(-c2ccccc2)c1	733775836	UFYUDCMGTQMDKJ-UHFFFAOYSA-N	312.329	1.003	50	20	DDGD	
COc1cccc2[nH]c(C(=O)NNC(=O)[C@H]3CCCCO3)cc12	908516601	DMHJVPNENLMQLQ-CQSZACIVSA-N	317.345	1.507	50	20	DDGD	
O=C(NC1CCC(C2CCC2)CC1)c1cc(B(O)O)ccc1F	585009572	YEWBZJUBVYNACX-UHFFFAOYSA-N	319.185	1.594	50	20	DDGD	
Cc1cc(CNC(=O)NNc2cccc([N+](=O)[O-])c2C)n[nH]1	739020045	IUMOGTVFWPHGME-UHFFFAOYSA-N	304.310	1.761	50	20	DDGD	
O=C(CCCn1c(=O)oc2ccccc21)NNc1cccnn1	736702353	PVTKXPUWZBJIAF-UHFFFAOYSA-N	313.317	1.308	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1cc(F)cc([N+](=O)[O-])c1	731472744	JECUQDGUAPHLMW-UHFFFAOYSA-N	322.252	1.471	50	20	DDGD	
O=C(N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)c1ccc(B(O)O)c(F)c1	584935775	XVLLJCUJTPKGQX-QCPCCJPKSA-N	317.169	1.060	50	20	DDGD	
O=C(O)CCCN1CCC(=NNC(=O)c2ccccc2F)CC1	739672558	RGUSVANQVFPBTM-UHFFFAOYSA-N	321.352	1.872	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCCCN2C)cc1C	731861538	FDLGITUKEKSCSU-OAHLLOKOSA-N	319.405	1.314	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2ccc(OCC#N)cc2)ccn1	731561348	ASCSDZBICREZDE-UHFFFAOYSA-N	323.356	1.814	50	20	DDGD	
CCc1ncncc1C(=O)NNc1nc(-c2ccccc2)no1	732112320	SUDNKHFKLFTGLR-UHFFFAOYSA-N	310.317	1.846	50	20	DDGD	
CC(C)(CC#N)CNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	838756336	WWHAEDLFSYCALO-UHFFFAOYSA-N	319.321	1.479	50	20	DDGD	
O=C(NNc1cccnn1)N[C@H]1C[C@H]1c1c(F)cccc1F	736388139	OWGJLPNCUOTELO-KCJUWKMLSA-N	305.288	1.937	50	20	DDGD	
N#CC1(CNC(=O)NNC(=O)Nc2ccc(Cl)cc2)CC1	838576662	QHKBDGOGEXBZCR-UHFFFAOYSA-N	307.741	1.979	50	20	DDGD	
CCC[C@@H](NCc1ccc(B(O)O)cc1)[C@H](O)c1ccccc1	585038938	MYBSRYCTFUGDAB-QZTJIDSGSA-N	313.206	1.358	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2C[C@@H]2C(=O)O)c1C	738736502	NYXVMCGDJUQONJ-ZJUUUORDSA-N	307.375	1.342	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2	730034257	FSMOOIKMSVWLKV-UBHSHLNASA-N	302.374	1.908	50	20	DDGD	
CC[C@@H]1C[C@H]1CNC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	838665901	QGSQROCOJFRMPK-TUAOUCFPSA-N	323.368	1.970	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)[C@@H]1CCc2nncn2C1	836936775	QVBSPHFNAJDOAL-SNVBAGLBSA-N	305.769	1.946	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1cn2ccccc2n1	918711432	MKVNEIDDSVKBQA-CQSZACIVSA-N	313.405	1.906	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CCCCO2)ccc1[N+](=O)[O-]	834986371	PWWGTILLKIPEAW-GFCCVEGCSA-N	307.306	1.623	50	20	DDGD	
CCOC(=O)[C@H](CC(=O)NNc1cccc(C#N)c1)C(C)=O	830766871	RIVNCQUDEBNGCF-CYBMUJFWSA-N	303.318	1.160	50	20	DDGD	
CN(C)C(=O)CNC(=O)NNc1cccc(Cl)c1Cl	837369329	GVLGNDSSKUNFKQ-UHFFFAOYSA-N	305.165	1.708	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=C1CCCc2c1cnn2C	915941443	WEQZMLBMSURQIN-UHFFFAOYSA-N	322.372	1.847	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cccnc2N(C)C)n1	748334424	HMNOGCLIHDCXRY-UHFFFAOYSA-N	306.757	1.656	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@H](C)C(=O)NNC(=O)c1ccccn1	742031261	GEFRPAMSVLRREK-JTQLQIEISA-N	315.377	1.072	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C	910150483	SEGNKWPCXIYFHP-UTUOFQBUSA-N	315.414	1.024	50	20	DDGD	
O=S(=O)(CCl)NC[C@H](O)c1cc(F)cc(Cl)c1	831308888	RFXZCRAWCVSLPV-VIFPVBQESA-N	302.154	1.628	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cccc(CN(C)C)c1	831212759	VJDRFKFILBTOIF-BXUZGUMPSA-N	320.393	1.326	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)c2ccccc2O)o1	916507211	BGZNIRBWUMWVLG-UHFFFAOYSA-N	303.318	1.480	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)CCn1cccn1	840549356	ZZKXLVCOBFVPDC-UHFFFAOYSA-N	308.773	1.983	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1	747325066	ZIXZNICMGRCQHP-LSDHHAIUSA-N	313.332	1.714	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(O)c2ccsc2c1	843971815	RLGZABOVQYLREF-SCZZXKLOSA-N	320.370	1.793	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N2CCCC(F)(F)C2)c1	846709521	HYSDSRIDWIFDFL-UHFFFAOYSA-N	308.288	1.644	50	20	DDGD	
Cc1nn(C)c2ncc(C=NNC(=O)[C@H]3CCO[C@H]3C)cc12	842559658	WVMJRHXIRYSNNM-JQWIXIFHSA-N	301.350	1.152	50	20	DDGD	
O=C(NNc1cccc(F)c1)C1(n2cnnn2)CCCCC1	845854869	MSXWGDQFKNGXFC-UHFFFAOYSA-N	304.329	1.615	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2c(c1)CCC=C2	843660520	WZGVJWFFGOVJRN-IAQYHMDHSA-N	300.358	1.832	50	20	DDGD	
C[C@H]1CC(=NNC(=O)COc2ccccc2F)c2ncnn21	841606743	KZJLOJIWZKDLRL-VIFPVBQESA-N	303.297	1.281	50	20	DDGD	
CC(C)NC(=O)NN=Cc1ccccc1N1CCO[C@H](C)C1	745009170	IVGXBKJVCSQETO-CYBMUJFWSA-N	304.394	1.953	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](NC2CCOCC2)C(C)C)ncn1	743415666	CMKREUPYIOQHGQ-CQSZACIVSA-N	307.398	1.021	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc(-n2ccnc2O)cc1	846228107	IKKDXHLQQBYHAN-UHFFFAOYSA-N	300.318	1.139	50	20	DDGD	
COc1cccc(OCCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	843663833	ZTRBUTOMNLBBBT-BXUZGUMPSA-N	322.361	1.037	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H](C)Cc2cnc[nH]2)c(F)c1	848215046	WRRQXLRHQUPORC-VIFPVBQESA-N	320.324	1.657	50	20	DDGD	
Cn1cccc1CNC(=O)NNC(=O)Cc1ccc(F)cc1	743709895	HHBMNWNIFTZXLQ-UHFFFAOYSA-N	304.325	1.237	50	20	DDGD	
O=C(NCCN1CCCC1=O)NNc1ccc(Cl)c(F)c1	845484732	PCOAKXNQMGOXBP-UHFFFAOYSA-N	314.748	1.728	50	20	DDGD	
N#CSCCCNS(=O)(=O)Cc1ccc(F)cc1C#N	916999108	ABNIPBSLISXQMG-UHFFFAOYSA-N	313.379	1.721	50	20	DDGD	
CO[C@@]1(C)CC(=NNC(=O)[C@@H](C)CN2CCOCC2)C1(C)C	746563367	BOPYUYWKBYEARO-LRDDRELGSA-N	311.426	1.262	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccc(Cl)nc1)c1cnn(C)c1	749913474	SCXYKSFNBIPNKW-QMMMGPOBSA-N	307.741	1.033	50	20	DDGD	
COC(=O)CSCCC(=O)NNc1cccnc1Cl	840479776	MXLSYBNRNTWLPR-UHFFFAOYSA-N	303.771	1.474	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H]2CCc3cnc(C)n3C2)n1	846263920	JOEIDDKLFCVBOR-SNVBAGLBSA-N	320.784	1.649	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2C[C@@]2(C)c2ccccc2)n1	745858759	SYUCATHWMANFIJ-WBMJQRKESA-N	313.361	1.842	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(F)c(F)cc1F	843662460	RDBLRAOCVFPZBA-RQJHMYQMSA-N	302.252	1.290	50	20	DDGD	
C[C@H](CSc1ccccc1)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843651500	NFJWTKYSBACGSX-BZPMIXESSA-N	322.430	1.987	50	20	DDGD	
CN(C)c1nc(Cl)c(C=NNC(=O)Cc2ccncc2)s1	747641417	ALEXWASCMMQMGJ-UHFFFAOYSA-N	323.809	1.950	50	20	DDGD	
CC(C)c1cccc(OCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	843648557	XZDXZIWXSVCTGN-IUODEOHRSA-N	320.389	1.761	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)[C@@H]2COc3ccccc3O2)[C@H]1OC	841602810	CJFLMBDVCUTLBF-QLFBSQMISA-N	320.345	1.122	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NCc2ccco2)cc1	743810376	FDIBVLFWCMNUPF-UHFFFAOYSA-N	304.306	1.824	50	20	DDGD	
CCO[C@H](C)c1ncc(C(=O)NNC(=O)c2cccn2C)s1	742490691	YTFZLEDQASPZJF-SECBINFHSA-N	322.390	1.654	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)NC[C@H]2COCO2)cc1	923858957	AMCPATONOYOSGZ-ZDUSSCGKSA-N	321.377	1.301	50	20	DDGD	
CC(C)SCC(=O)NNC(=O)NCCc1cccs1	920859518	SCBJIZWVULBSEQ-UHFFFAOYSA-N	301.437	1.763	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NN=c1sc2ccccc2n1C	920422876	GFIVVUCAYKISBH-VIFPVBQESA-N	306.391	1.086	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Cc2ccccc2OC)n1	752294343	MHIOIABWJQIMIJ-UHFFFAOYSA-N	315.329	1.103	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1ccc(OCCOC)cc1	920831250	ABOYBIBXASRBQJ-UHFFFAOYSA-N	323.393	1.772	50	20	DDGD	
CSC[C@H]1CCCN1C(=O)NNC(=O)c1cccc(F)n1	852708852	JXGFCFNIZSOAKU-SECBINFHSA-N	312.370	1.403	50	20	DDGD	
CSc1ccc(CCC(=O)NNC(=O)C(=O)NC(C)C)cc1	929448509	MNPQTFGANFQKID-UHFFFAOYSA-N	323.418	1.013	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccccc1S[C@@H](C)CC#N	756490635	WQEOLGKNCHKDPZ-JTQLQIEISA-N	322.390	1.880	50	20	DDGD	
CSCC1(CCNC(=O)NNC(=O)N=c2cc[nH]cc2)CC1	852503766	RXNKPRMZKNOPSS-UHFFFAOYSA-N	323.422	1.373	50	20	DDGD	
C[C@H]1C[C@H]1c1ccc(CCC(=O)NNC(=O)c2cc[nH]n2)o1	855362745	UKTOIZFYSWJMBA-GXSJLCMTSA-N	302.334	1.520	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@@H]1CCc2nnnn2CC1	855370988	OJGCJYHVMHAAMV-SNVBAGLBSA-N	304.329	1.216	50	20	DDGD	
COc1ccc(OCc2ccccn2)c(C=NNC(N)=O)c1	921253032	ICADHAZFVJZTJD-UHFFFAOYSA-N	300.318	1.671	50	20	DDGD	
Cn1cnc2c(C(=O)NC[C@@]3(C)C[C@@H]3Br)ccnc21	857388493	SWAGJCKGQJPWAF-TVQRCGJNSA-N	323.194	1.872	50	20	DDGD	
CC(C)(C#N)CCS(=O)(=O)NNC(=O)c1ccccc1F	753021468	VZYZCSZVOVZLAK-UHFFFAOYSA-N	313.354	1.330	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CCC[C@@H](CO)[C@H]2C)c1	858707073	IUEXOSSLAKCKLJ-MNOVXSKESA-N	311.407	1.504	50	20	DDGD	
NC(=O)c1ccc(NC(=O)NNC(=O)C2CCCC2)c(F)c1	756821340	PYAIOUAWHHECFD-UHFFFAOYSA-N	308.313	1.268	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@H]1CCCN1CC(F)F	858205480	CAJCVIUMYYDBIE-SECBINFHSA-N	306.357	1.092	50	20	DDGD	
COc1cccc(-c2nc(C)c(C(=O)NNC(=O)C(C)C)[nH]2)c1	755407133	UFRHKRRWSWPAGJ-UHFFFAOYSA-N	316.361	1.811	50	20	DDGD	
CO[C@@]1(C)C[C@H]1NC(=O)NNC(=O)c1cccc2ncccc12	852687312	IPFCLRMQUIVIQQ-CJNGLKHVSA-N	314.345	1.356	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cc1C	853388178	FCRGUUQDQJALAV-ZBFHGGJFSA-N	317.389	1.317	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccc(Cl)cn2)[C@@H]2CCCC[C@H]2N1	856094386	HNKCIQDXSZJFOG-SDDRHHMPSA-N	322.796	1.873	50	20	DDGD	
CC(C)(C)OC(=O)[C@]1(C(=O)NNC(=O)c2ccc[nH]2)CC1(C)C	854279114	OFYGSULGFDPTGF-MRXNPFEDSA-N	321.377	1.534	50	20	DDGD	
O=C(NCCc1cccs1)NN=Cc1cnc2n1CCC2	853295707	QFOJCBQCGOIYDK-UHFFFAOYSA-N	303.391	1.767	50	20	DDGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1[C@H]2CC[C@H]1CC(=O)NC2	750058905	ZPXBNFHMORIWKA-FURAFARTSA-N	312.329	1.812	50	20	DDGD	
C[C@H]1CCCC[C@@H]1OCC(=O)NNC(=O)c1cccc(F)n1	856424507	NNFLTWMIDRRAQE-JQWIXIFHSA-N	309.341	1.577	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNC(=S)NCC1CCC1	759380120	VPMXUOTWKUQRRC-UHFFFAOYSA-N	307.423	1.256	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H](C)CN(C)C)c1C	854063299	UESCWCVDCMRXNX-JTQLQIEISA-N	308.382	1.358	50	20	DDGD	
COCn1ccc(C(=O)NNc2cc(C(F)(F)F)ccn2)n1	854677310	IDTKJTGRGNFEJQ-UHFFFAOYSA-N	315.255	1.658	50	20	DDGD	
NC(=O)c1cccc(C=NNC(=O)CNc2ccccc2F)c1	755505255	RFDONWALVYSOHA-UHFFFAOYSA-N	314.320	1.487	50	20	DDGD	
CN(C)c1nc(Cl)c(C(=O)NNc2ncncc2F)s1	857510979	CEYYUJHWSLHZQX-UHFFFAOYSA-N	316.749	1.549	50	20	DDGD	
COC(=O)c1ccccc1CCC(=O)NNC(=O)C1CCC1	759061321	AJWKCADKEGAYDS-UHFFFAOYSA-N	304.346	1.353	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1ccc(O)c(F)c1	863101571	ZABILLGFJBEJDC-UHFFFAOYSA-N	302.174	1.963	50	20	DDGD	
Cc1cc(CNC(=O)NNc2ncnc3ccsc23)no1	765694642	VSKISKFYXVLSLN-UHFFFAOYSA-N	304.335	1.814	50	20	DDGD	
O=C(C[C@@H]1CCS(=O)(=O)C1)NNc1ccc(F)c(Cl)c1	863079296	XUSVWNAVMPCSMB-QMMMGPOBSA-N	320.773	1.747	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)O[C@H]2CCCN(C)C2=O)c1	764506101	MICQWTYYPFFIOK-GLNPCMGASA-N	314.341	1.766	50	20	DDGD	
COCCOCC(=O)NNC(=O)C[C@H](C)c1cccc(F)c1	869910841	ZFAPAZOBJRSKRQ-NSHDSACASA-N	312.341	1.130	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Cc1cccc(OCC#N)c1	760265188	WMJZYYGMZYYKAD-UHFFFAOYSA-N	323.352	1.901	50	20	DDGD	
CC(C)n1nnc(NC(=O)NNCC(F)(F)C(F)(F)F)n1	933453939	BXJVDZKOPLOXHB-UHFFFAOYSA-N	317.222	1.078	50	20	DDGD	
C[C@H](NNC(=O)c1cn(C)nc1-c1ccoc1)C(F)(F)F	862318544	VDAJCTXJRJUINK-ZETCQYMHSA-N	302.256	1.865	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N(C1CCNCC1)C1CC1	866736453	XWIANKUQZSGCOJ-UHFFFAOYSA-N	308.875	1.798	50	20	DDGD	
CC(C)(C=NNC(=O)c1cc2c(s1)CCC2)S(C)(=O)=O	1116378375	KAUUNUQKIYRNKZ-UHFFFAOYSA-N	314.432	1.776	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)c2cn[nH]c2)[nH]c(C)c1C(C)=O	862475081	YEQQWLZDZCLXTP-UHFFFAOYSA-N	317.349	1.276	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=C1C[C@@H](C)N(C)C1	761804426	BEHYFRWTBBTJQH-GFCCVEGCSA-N	313.405	1.795	50	20	DDGD	
CCCn1cc(C(=O)NNc2cc(C#N)cc(Cl)n2)nn1	768711116	AYXQHWYUNJKYLJ-UHFFFAOYSA-N	305.729	1.365	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@@H]2C)cc1	863853172	AWDZCWQPUZKJMF-QCQGSNGOSA-N	319.405	1.614	50	20	DDGD	
O=C(NCC(F)F)C(=O)NNc1cccc(Br)c1	768093658	NTWBPRIBKKYWFI-UHFFFAOYSA-N	322.109	1.274	50	20	DDGD	
O=C(C[C@@H]1COC(=O)C1)NNC(=O)c1cc2ccccc2o1	765489787	MWKLWYMFJYUYTE-VIFPVBQESA-N	302.286	1.147	50	20	DDGD	
COCCOCc1cccc(NC(=O)NNC(=O)C2CC2)c1	764626395	FKYPHVCBPJLITN-UHFFFAOYSA-N	307.350	1.412	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C2(CN(C)C)CC2)c(C)c1	873759740	CFFZKBDIKUYTSP-UHFFFAOYSA-N	320.462	1.963	50	20	DDGD	
COc1cc(NC(=O)NNc2cc(C)ncn2)cc(OC)c1	775390138	ZWJVOSCXERDUSX-UHFFFAOYSA-N	303.322	1.951	50	20	DDGD	
CN1C(=O)c2ccc(C(=O)NCCCSC#N)cc2C1=O	773594700	YWOGVZYAPVJGEZ-UHFFFAOYSA-N	303.343	1.247	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)CN2CCCC2)c1C	873798994	SIAJWQPVYFGZHX-CQSZACIVSA-N	319.405	1.314	50	20	DDGD	
Cn1nc(Br)cc1/C=C(\C#N)C(N)=C(C#N)C#N	779797531	JERISVWDUITEMB-FARCUNLSSA-N	303.123	1.350	50	20	DDGD	
COCCOCc1cccc(NC(=O)NN(C)C(=O)OC)c1	878311270	GMMZOZZUFZADDE-UHFFFAOYSA-N	311.338	1.584	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCc2cc(F)ccc21	1118773498	MKWDZRAOMNFDOA-MRCXROJRSA-N	306.337	1.428	50	20	DDGD	
COc1cc(C)cnc1C(=O)NNC(=O)c1ccc(Cl)nc1	1116758909	GUCBJASUKDYTDD-UHFFFAOYSA-N	320.736	1.522	50	20	DDGD	
O=C(C[C@@H]1CCS(=O)(=O)C1)NNc1ccc2ccccc2n1	777464820	HFTLLLCBQRIGOS-NSHDSACASA-N	319.386	1.503	50	20	DDGD	
O=C(NNC(=O)c1csc(-c2ccco2)n1)c1ccncc1	1115831321	MAOVZXUMSIGZIF-UHFFFAOYSA-N	314.326	1.873	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@](C)(CO)Cc1ccc(OC)cc1	874740390	JLVVHHMJGFISBY-WKOYGUFESA-N	318.373	1.549	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=CC2CCN(C)CC2)C[C@@H](C)O1	872337139	UXGRUZPXEVRUEV-SOUVJXGZSA-N	324.469	1.176	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc2c(c1)CCC(C)(C)O2	779824113	YPPZJFUGWXMFFX-UHFFFAOYSA-N	319.361	1.596	50	20	DDGD	
CC(C)CC(=O)NN=Cc1ccc(N2CCN(C)CC2)cc1	771550735	SBVRHEPMNVLBDX-UHFFFAOYSA-N	302.422	1.935	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cnc(C(C)C)s1	772212150	BXPAKJHKVBFYRR-QMMMGPOBSA-N	313.379	1.369	50	20	DDGD	
COC(=O)c1cncc(C(=O)NNc2ccc(Cl)nn2)c1	774306100	CUELVKGAKXQOAV-UHFFFAOYSA-N	307.697	1.069	50	20	DDGD	
CCCc1nc(C)c(NC(=O)C(=O)NNC(=O)C(C)C)s1	777141489	NNLPHNHHXLZLQZ-UHFFFAOYSA-N	312.395	1.146	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cnc(OCC)c(Cl)c1	887144303	IVWXKISRAXXIGS-UHFFFAOYSA-N	309.753	1.698	50	20	DDGD	
CC(C)(NCC(=O)NNC(=O)C1CC1)c1ccc(F)c(F)c1	775529969	XSNLQRHZWGPJMF-UHFFFAOYSA-N	311.332	1.347	50	20	DDGD	
Cc1cccc(NNC(=O)c2ccc(CN3CCOCC3)o2)n1	880826534	SEYHLPKXGBBVCW-UHFFFAOYSA-N	316.361	1.572	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C[C@@H]1CC[C@@H](C)C1	772186836	RJYLWEIBSZGTPY-FRRDWIJNSA-N	312.410	1.938	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccccc1OC(F)F	883061268	OPPMKUSEKNPUIG-UHFFFAOYSA-N	314.288	1.476	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C1CCC1)[C@@H]1CCCN(C2CCC2)C1	781403162	WQVXNNJDVUYHFG-GXTWGEPZSA-N	322.453	1.770	50	20	DDGD	
C[C@@H](CCNC(=O)NNC(=O)C1CCOCC1)c1ccccc1	883269680	SDONHTSLWOQCBH-ZDUSSCGKSA-N	319.405	1.937	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cccnc2N(C)C)c1	780796032	JGXTXHKZBAXZIT-UHFFFAOYSA-N	314.345	1.691	50	20	DDGD	
COc1cccc(NNC(=O)NCCCN2CCCCC2=O)n1	780005814	GWZAABMSNDNKLD-UHFFFAOYSA-N	321.381	1.119	50	20	DDGD	
Cc1ccc2nc(C=NNC(=O)C(=O)Nc3ccccn3)cn2c1	789024292	UNCINCCEMYSFEL-UHFFFAOYSA-N	322.328	1.127	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)C2CCOCC2)sc1C	882805246	VIGKURGSUVUGHT-UHFFFAOYSA-N	318.420	1.101	50	20	DDGD	
N#Cc1ccc(NNC(=O)N[C@@H]2CCN3CCC[C@H]3C2)nc1	887754092	WLVVDWXBIUZJGP-OLZOCXBDSA-N	300.366	1.206	50	20	DDGD	
CCN([C@H](CO)c1ccccc1)S(=O)(=O)CBr	882753067	AEOQVEXDWUKNAC-LLVKDONJSA-N	322.224	1.724	50	20	DDGD	
CCOC(=O)[C@@H](CO)NC(=O)CCCC[C@H]1CCSS1	782758328	HXALQKJUHGWIRJ-WDEREUQCSA-N	321.464	1.741	50	20	DDGD	
CC[C@H](C)N(C)CCNC(=O)NNc1ncncc1Cl	780990083	YVDHOTDKDQSKPD-VIFPVBQESA-N	300.794	1.486	50	20	DDGD	
Cc1nc(C)n(-c2ccccc2NC(=O)NNC(=O)C(C)C)n1	782587669	CTSSAUYSVCZZNP-UHFFFAOYSA-N	316.365	1.693	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NC[C@@H](O)C(F)(F)F	781098584	QOJIKHPWPXDONE-PHDIDXHHSA-N	306.122	1.835	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)N[C@H](c1ccncc1)C1CC1	899008597	NTINBRBSTVGYEC-KGLIPLIRSA-N	318.377	1.432	50	20	DDGD	
NC(=O)c1ccccc1C=NNC(=O)CCc1ccccc1O	788714293	UWLKNFTUGIGEIG-UHFFFAOYSA-N	311.341	1.574	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2[nH]cnc2C)c(C)c1	895558286	UZLISSUKKCOTST-UHFFFAOYSA-N	301.350	1.208	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)Cn1ccc2ccccc21	796178689	DDQLMLHEYGOKNN-UHFFFAOYSA-N	310.357	1.993	50	20	DDGD	
COC(=O)[C@H](C)N(C1CCC1)S(=O)(=O)CBr	790909884	VGXSXMQTITVHJN-ZETCQYMHSA-N	314.201	1.085	50	20	DDGD	
C=C[C@H](NNC(=O)c1ccc(Br)s1)C(=O)OC	799976829	WWSPTFYFXGOLPX-LURJTMIESA-N	319.180	1.473	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNc1ccc(Cl)c(OC)c1	790179082	ITMHXSCHZXDJBP-QMMMGPOBSA-N	300.742	1.991	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)C(=O)c1ccccc1	792030566	POKRGRBOHMVVIY-UHFFFAOYSA-N	316.744	1.913	50	20	DDGD	
CC(C)(C(=O)NNC(=O)C[C@H]1CCCOC1)c1ccccc1	793462658	DCGYVAJQPWPSHM-CYBMUJFWSA-N	304.390	1.928	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cn(C(C)C)nc2C)n1	799108098	NTEPUNZKBNPJJD-UHFFFAOYSA-N	302.382	1.736	50	20	DDGD	
COc1cc(C)cnc1C(=O)NNC(=O)NC1CCCCC1	792575146	PQHYBLDKSOHHBE-UHFFFAOYSA-N	306.366	1.675	50	20	DDGD	
CSSCCNC(=O)NC[C@@H]1CCCCS1(=O)=O	790813953	GLVSAMYVEDQMMV-VIFPVBQESA-N	312.482	1.264	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccc(C(=O)OC)o2)c1	1319947534	VAPSEVUSADYJHQ-UHFFFAOYSA-N	318.285	1.610	50	20	DDGD	
Cc1nnc(CNC(=O)NNC(=O)c2cccc(Cl)c2)o1	1317871884	RDCLVMLZZQLSTO-UHFFFAOYSA-N	309.713	1.176	50	20	DDGD	
COc1cc(CN2CC[C@@H](NC(=O)CCl)C2)cc(OC)c1	1319921428	FKCCWLADIVHMFC-GFCCVEGCSA-N	312.797	1.633	50	20	DDGD	
O=C(CCO)NN=Cc1c(F)ccc(C2OCCO2)c1Cl	1324610281	FZMROACREUCYHM-UHFFFAOYSA-N	316.716	1.357	50	20	DDGD	
CC(C)[C@@]1(C)C[C@@H]1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1324151466	YGYKJYVTLNNKGF-BDJLRTHQSA-N	304.394	1.732	50	20	DDGD	
CCCCn1ncc(NC(=O)NNC(=O)CCO)c1C(C)C	1321077009	YNQNUGVTXBINHM-UHFFFAOYSA-N	311.386	1.342	50	20	DDGD	
CC(C)NC(=S)NNC(=O)COCc1cccc(Cl)c1	1324710254	REYBYABTEQXZCI-UHFFFAOYSA-N	315.826	1.760	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)Nc1ccc2ncsc2c1	1325624094	AYCLEAQFOXVURC-UHFFFAOYSA-N	319.390	1.449	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2	1324072714	GJZYTUXQDAKTRZ-UHFFFAOYSA-N	320.418	1.434	50	20	DDGD	
O=C(NNc1cncc(Br)c1)[C@@]1(O)CCSC1	1324643030	TWQFXUYZRTZAPW-SNVBAGLBSA-N	318.196	1.155	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H]1CC(=O)N(C)c2ccccc21	1320102951	LPLMHTDPAQCITD-LBPRGKRZSA-N	318.377	1.267	50	20	DDGD	
CCCCCN1C(=O)C(=NNC(=O)CCO)c2ccccc21	1339927357	CZIATAQGEWAPQV-UHFFFAOYSA-N	303.362	1.426	50	20	DDGD	
CC(C)NC(=S)NNC(=O)COC[C@@H](C)c1ccccc1	1332558300	ZFPYYRPRTCNDSA-GFCCVEGCSA-N	309.435	1.710	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Nc1ccc(Cl)cc1)[C@@H]1CCC(=O)N1	1330003012	ICNQMIJUDKXGFH-KWQFWETISA-N	324.768	1.407	50	20	DDGD	
Cn1c(C(=O)O)cc(Br)c1C=NNC(=O)C1CC1	1251899403	XQOBEIPZUQQODH-UHFFFAOYSA-N	314.139	1.346	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)C(C)(C)c1ccccc1	1336340745	JUAIUUMWUHWVFC-ZIAGYGMSSA-N	304.390	1.927	50	20	DDGD	
CC(C)C(=O)NNC(=O)Cn1nc(C(F)(F)F)c2c1CCC2	1336801646	OGBFSQGNYPIRIS-UHFFFAOYSA-N	318.299	1.194	50	20	DDGD	
O=C(NCCc1cccnc1)NNC(=O)c1ccccc1Cl	1337481861	SDUJGTHJRKYPQB-UHFFFAOYSA-N	318.764	1.922	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)C(C)(C)c1ccccc1	1336340744	JUAIUUMWUHWVFC-UONOGXRCSA-N	304.390	1.927	50	20	DDGD	
N#Cc1ccc(N2CCC[C@@H]2C(=O)NNc2ccncn2)cc1	1330643751	JTCGKYJMGAJQSF-CQSZACIVSA-N	308.345	1.460	50	20	DDGD	
Cn1cc(NC(=O)NNC(=O)C2CCCC2)c(C(F)F)n1	1263657523	ZVIDBOXRQYGVRL-UHFFFAOYSA-N	301.297	1.701	50	20	DDGD	
Cc1cccc2sc(NNC(=O)N[C@H]3CC(=O)N(C)C3)nc12	1342399218	SQVPBEUDMVMZQG-VIFPVBQESA-N	319.390	1.462	50	20	DDGD	
CCC(=O)NC1CCN(C(=O)[C@]2(C)C[C@H]2Br)CC1	1347346185	SQDZIQTUSCEFDU-ZWNOBZJWSA-N	317.227	1.677	50	20	DDGD	
CC(C)CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)NCC1CC1	1345691164	JLMVGLATOBDLDL-CYBMUJFWSA-N	324.425	1.154	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2ccc(-n3cncn3)cc2)n1	1357695505	AJXYYRNBZHLSNI-UHFFFAOYSA-N	324.348	1.823	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CCc1nc2cccnc2[nH]1	1353877662	YNTWGHDWWFBAFY-UHFFFAOYSA-N	320.422	1.184	50	20	DDGD	
CC[C@H](NNC(=O)c1ccc(Br)cc1)C(=O)O	1605098506	GDPXQLFNNBJRHD-VIFPVBQESA-N	301.140	1.547	50	20	DDGD	
CCN(CCO)NC(=O)c1cccc(C(=O)N2CCCCC2)c1	1528501265	FQHWSNBNRFFLEN-UHFFFAOYSA-N	319.405	1.272	50	20	DDGD	
O=C(O)c1cc(C=NNC(=O)c2cc(Cl)ccc2O)on1	1602255004	WJJBMVQICJZBCK-UHFFFAOYSA-N	309.665	1.496	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1cc(C(=O)O)cs1	1600978672	LNIFOYZDMFQWID-UHFFFAOYSA-N	308.319	1.251	50	20	DDGD	
O=C(O)CC[C@@H]1CC[C@H](C(=O)NNC(=O)CC2CCCC2)O1	1602036479	YEYZPBWDGASNQY-NWDGAFQWSA-N	312.366	1.127	50	20	DDGD	
O=C(NN=Cc1ccc(-c2nn[nH]n2)s1)[C@@H]1CCCS1	1609557601	YHTORWVLAPUZBI-VIFPVBQESA-N	308.392	1.274	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)NCCCC(=O)O	1603985377	JUNKTYFYIMPQOX-UHFFFAOYSA-N	315.761	1.744	50	20	DDGD	
Cc1cc(C(=O)NN[C@H](Cc2ccc(F)cc2)C(=O)O)c(C)o1	1600095479	SNRUNKGDCMPYNA-CQSZACIVSA-N	320.320	1.966	50	20	DDGD	
COc1cnc(C(=O)NNc2ncccc2C(=O)O)c(F)c1	1604900425	MYUXZTVPWNZESQ-UHFFFAOYSA-N	306.253	1.079	50	20	DDGD	
CC[C@H](C(=O)O)N(C)C(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	1603489169	UUDKRZRGUSMUQY-NFEOESJKSA-N	314.345	1.434	50	20	DDGD	
CC[C@@H](C(=O)O)C(=O)NNc1ncccc1C(=O)OC(C)(C)C	1604877794	AXYMIFWRAZYGLJ-SECBINFHSA-N	323.349	1.591	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@]2(C)CCCO2)ccc1-c1nn[nH]n1	1609399780	NYBCYUVSTLVIGE-HNNXBMFYSA-N	314.349	1.194	50	20	DDGD	
C[C@@H](CC(=O)O)C(=O)Nc1cccc(NC(=O)NN(C)C)c1	1609732253	LTHMOHGQLUHRBZ-VIFPVBQESA-N	308.338	1.334	50	20	DDGD	
Cc1cc(NNC(=O)NCCOCC(=O)O)ccc1Cl	1607696002	SYVHGNCNEOJSES-UHFFFAOYSA-N	301.730	1.376	50	20	DDGD	
CO[C@@]1(C(=O)O)CCN(C[C@@H](CBr)C2CC2)C1	1606702955	HSXWGTXTPFSINJ-PWSUYJOCSA-N	306.200	1.583	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1CC2	1607890511	JCHMZDJPBNWYKT-RVMXOQNASA-N	301.346	1.746	50	20	DDGD	
O=C(O)CCN1CCC(=NNC(=O)NCc2ccccc2)CC1	1602009337	DIRWCGGTLOZGTR-UHFFFAOYSA-N	318.377	1.412	50	20	DDGD	
Cc1cc([N+](=O)[O-])cc(C(=O)NNc2ccc(C(=O)O)cn2)n1	1600304200	LJDHGUNLJGVVBE-UHFFFAOYSA-N	317.261	1.148	50	20	DDGD	
O=C(O)[C@@H](O)C1CCN(C[C@H](CBr)C2CC2)CC1	1608557385	KESKUCJFNUFVOI-RYUDHWBXSA-N	320.227	1.565	50	20	DDGD	
CCc1cc(NC(=O)NNc2ccc(F)c(C(=O)O)c2)nn1C	1610058657	HNJFYYCCDLDULN-UHFFFAOYSA-N	321.312	1.968	50	20	DDGD	
C#CC(=O)N[C@H]1CCc2nc(NC(=O)[C@H](F)Cl)sc2C1	1817134338	MRBVPWHMQCLUTN-WKEGUHRASA-N	315.757	1.223	50	20	DDGD	
CCOCc1nc(C)cc(NNC(=O)NCCCNC2CC2)n1	1578126888	GLEGIYGYZJTYCM-UHFFFAOYSA-N	322.413	1.090	50	20	DDGD	
Cc1c(NNC(=O)C2([C@H](C)N)CCOCC2)cccc1[N+](=O)[O-]	1579541355	SMCJRJAAQKIWEL-NSHDSACASA-N	322.365	1.490	50	20	DDGD	
CC(C)(C)C[C@H](O)CC(=O)NNc1cccc(-c2nn[nH]n2)c1	1589118856	NCTSWGZVOKVSSE-GFCCVEGCSA-N	318.381	1.497	50	20	DDGD	
C[C@@H](Oc1ccccn1)C(=O)NNc1ncccc1C(=O)O	1589168766	OZFVXXSDZQKBGF-SECBINFHSA-N	302.290	1.085	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)NNc2cccc(C(=O)O)c2C)C1	1589061126	OPLXFSHJFGELAX-INIZCTEOSA-N	319.361	1.395	50	20	DDGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)C1=CCNCC1	1580740161	YQOVCIPEWGNLMF-UHFFFAOYSA-N	301.268	1.948	50	20	DDGD	
N[C@H](C(=O)NNC(=O)c1ccccc1F)c1ccc(F)cc1F	1580115167	NNTGNLVZFPPXCH-ZDUSSCGKSA-N	323.274	1.565	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1cc(-c2nn[nH]n2)c(F)cc1C	1590797181	KTPRRQGTQISJDS-CLFYSBASSA-N	316.296	1.697	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H](C(=O)O)C(C)C)c1	1594407897	RORWYMYIHGUJFR-LLVKDONJSA-N	309.391	1.669	50	20	DDGD	
CNc1nc(C(=O)NNc2ccc(F)c(C(=O)O)c2)cs1	1598681863	UZYOJNBCNGMICY-UHFFFAOYSA-N	310.310	1.779	50	20	DDGD	
O=C(O)COCC(=O)NN=C(c1ccccc1)c1ccccc1	1595107302	RMCWPJPDPILESK-UHFFFAOYSA-N	312.325	1.656	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C2(C(=O)O)CCC2)c1	1594407637	DNTWBLZBAIRLOT-UHFFFAOYSA-N	307.375	1.568	50	20	DDGD	
CCOc1ccc(NNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)cc1	1590838934	NHZXOYYZWZVKCI-UHFFFAOYSA-N	313.321	1.350	50	20	DDGD	
C[C@@](CC(=O)O)(NS(=O)(=O)CCCCl)c1ccncc1	1592329190	DJMRFYCTNKJQME-LBPRGKRZSA-N	320.798	1.320	50	20	DDGD	
Nc1c(C=NNC(=O)c2cccc(C(=O)O)c2)cnn1C1CC1	1776095897	BCKMJLRPSAXWET-UHFFFAOYSA-N	313.317	1.262	50	20	DDGD	
C[C@@H]1C(=NNC(=O)c2cn3c(n2)CCCC3)CC[C@@H]1CC(=O)O	1776105415	FVOBFAUDDRZWTK-WDEREUQCSA-N	318.377	1.826	50	20	DDGD	
CC(=NNC(=O)c1cnsn1)[C@@H]1C[C@H](CC(=O)O)C1(C)C	1776104934	HDHCCSINMQVISO-BDAKNGLRSA-N	310.379	1.781	50	20	DDGD	
CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](F)Cl)COC1	1796804731	XXMJCWCZFBJYRN-LMLFDSFASA-N	318.776	1.196	50	20	DDGD	
CCOCC(=O)NNC(=O)c1sc(-c2ccccc2)nc1C	15469654	SZFPZHICHXKIPU-UHFFFAOYSA-N	319.386	1.916	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CC(C)(C)CC(=O)O)cc1	16481750	FMQXLFGNLKMASH-UHFFFAOYSA-N	306.362	1.901	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@H]1Cc2cc(F)ccc2O1	151348594	BMTQANCTKILLNW-CYBMUJFWSA-N	319.292	1.253	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(Cl)cc2C)n1	154324464	VVAWNTIZBUAFCX-UHFFFAOYSA-N	320.780	1.923	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1	159550191	PNQUUUFUACEIEJ-YHKKIHSWSA-N	324.384	1.667	50	20	DDGD	
O=C1CCCN1C1CCN(S(=O)(=O)CCCCl)CC1	881864494	UHAZFDDMMKJSLR-UHFFFAOYSA-N	308.831	1.032	50	20	DDGD	
CC(C)[C@@H](CNS(=O)(=O)CCl)NC(=O)OC(C)(C)C	830534678	FDFYBYNGAMLONP-SECBINFHSA-N	314.835	1.651	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCCn1c(=O)oc2ccccc21	106722247	RCUKDWSWOCSAFC-KHPPLWFESA-N	301.302	1.155	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cn(C)nc2C)cc1C	113140929	OKRJQTGFIFDRSL-UHFFFAOYSA-N	316.361	1.185	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(C)c(OC(F)F)c(C)c1	107570640	RAMIOVOTLQKVNU-UHFFFAOYSA-N	301.293	1.869	50	20	DDGD	
COc1ccsc1C(=O)NNC(=O)c1cccc(N(C)C)c1	105940741	OEJRORXVDUQZBI-UHFFFAOYSA-N	319.386	1.898	50	20	DDGD	
O=C(CSC[C@@H]1CCCCO1)NNc1nccnc1Cl	114893817	BWNKWTMGEWZHBU-VIFPVBQESA-N	316.814	1.875	50	20	DDGD	
CCC(CC)n1nc(C(=O)NNC(=O)c2cnn(C)c2)cc1C	179630268	MACKNNZLTUOLDI-UHFFFAOYSA-N	318.381	1.361	50	20	DDGD	
Cc1occc1C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	25416185	OMEZLDSIMKLKKM-UHFFFAOYSA-N	311.338	1.264	50	20	DDGD	
CS[C@H]1CCC[C@@H](NC(=O)NNC(=O)Cc2cccnc2)C1	117512077	UGPVNQBHLSQYCX-OLZOCXBDSA-N	322.434	1.629	50	20	DDGD	
CN(CC(=O)NNC(=O)NC1CCCC1)C(=O)c1cccs1	65919617	UZRMFYPHGRFYBD-UHFFFAOYSA-N	324.406	1.093	50	20	DDGD	
Cc1cccc(C)c1OCC(=O)NNC(=S)N[C@@H](C)C1CC1	171168557	ATCWYDGSAACCMN-LBPRGKRZSA-N	321.446	1.976	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)n1C	24298551	QKVKOAJBZJHABY-NSHDSACASA-N	319.336	1.701	50	20	DDGD	
C=CCCCC(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12	175070642	ZPFHMPZYLTUOOG-UHFFFAOYSA-N	300.318	1.040	50	20	DDGD	
Cc1ccc(C)c(OCCC(=O)NNC(=O)c2cnn(C)c2)c1	117680877	PKYCYSTYHMEYDJ-UHFFFAOYSA-N	316.361	1.267	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNC(=O)c2cccc3ccccc23)c[nH]1	73942677	WPDWMHLKVHYENH-UHFFFAOYSA-N	321.336	1.911	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1cccnc1)c1c(F)cccc1F	134612207	HHIDQBPTAWQBBH-JTQLQIEISA-N	319.311	1.853	50	20	DDGD	
Cc1cc(NNC(=O)c2cnn(C)c2-n2cccc2)nc(C)n1	176164942	WQZQIXSDMDOZMQ-UHFFFAOYSA-N	311.349	1.375	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cc(=O)[nH]1	182359634	FDSFJHPIAZZHHS-UHFFFAOYSA-N	302.290	1.602	50	20	DDGD	
O=S(=O)(NCC1(CO)CC1)c1ccc(CCCl)cc1	122523923	AMJVZLLIEMZNEZ-UHFFFAOYSA-N	303.811	1.519	50	20	DDGD	
CC(C)(C)OCc1cc(C(=O)NNC(=O)c2cccnc2)no1	184724542	MEJDJCBWTNSZRL-UHFFFAOYSA-N	318.333	1.460	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NNc1ccncc1	180453933	MYFWGVPFKXNVNE-GFCCVEGCSA-N	306.366	1.924	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2cccnc2)cc1[N+](=O)[O-]	186386368	AAOGIUPTNJEERB-UHFFFAOYSA-N	315.289	1.765	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)n1	128736375	NUAXBANAGDDVCU-NWDGAFQWSA-N	306.366	1.674	50	20	DDGD	
N#Cc1ccc(NNC(=O)CCN2C(=O)CCC2=O)cc1Cl	182370092	NMUDJQDIIFAGOM-UHFFFAOYSA-N	320.736	1.194	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCCN1CCCOCC1	189421962	QPOGSUFVGCJKRA-NTCAYCPXSA-N	317.364	1.571	50	20	DDGD	
NC(=O)c1cccc(NC(=O)C(=O)NNc2ccc(F)cc2)c1	181371944	HEXDGVMBONFMLD-UHFFFAOYSA-N	316.292	1.006	50	20	DDGD	
C[C@@H](CCC(C)(C)C)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	77625049	XCPXQFJSECZGLS-FZMZJTMJSA-N	319.471	1.582	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1cccc(OCCF)c1	181400434	PLMGWYOHVMFVHO-UHFFFAOYSA-N	318.308	1.512	50	20	DDGD	
Cc1ccc(C)c(NC(=O)C(=O)NNC(=O)c2ccc[nH]2)c1	123166808	VWHDNRKAWIRPRO-UHFFFAOYSA-N	300.318	1.031	50	20	DDGD	
CC(=O)N1CC(C(=O)NNc2ncc(Cl)cc2Cl)C1	187957604	VMHTVKKNMFTVSM-UHFFFAOYSA-N	303.149	1.310	50	20	DDGD	
Cc1ccc(C(=O)NNc2cccc(S(C)(=O)=O)c2)cc1O	181319850	GVJLUEWANCQDOL-UHFFFAOYSA-N	320.370	1.861	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)[C@H]1CCCOC1	188239077	VUQBLLPSPRJFCS-VIFPVBQESA-N	305.363	1.470	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccn(-c2ccccc2)n1	78809828	FOVIBKMOMWTYIV-UHFFFAOYSA-N	309.329	1.286	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCc2ccc(O)cc2)n1	183974758	CCODOKNXOQHEHU-UHFFFAOYSA-N	302.334	1.575	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1c(F)ccc(F)c1F	187646445	SHVOOZQFKHXLJA-UHFFFAOYSA-N	309.247	1.503	50	20	DDGD	
COc1ccc(OC)c(C(=O)NNC(=O)c2ccc(C)o2)c1	84292456	UCTRLBRZFQMASE-UHFFFAOYSA-N	304.302	1.680	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccc(C(F)(F)F)nc1	191926637	UKNZXZGSXKYKFE-UHFFFAOYSA-N	322.250	1.900	50	20	DDGD	
O=C(C#Cc1ccccc1)NNC(=O)NCCc1cccs1	81593509	DCFVGYZDLYMOJD-UHFFFAOYSA-N	313.382	1.673	50	20	DDGD	
C=C(C)COCCNC(=O)NNC(=O)c1ccc(CC)cc1	134999174	KMOCYXNISBSWDA-UHFFFAOYSA-N	305.378	1.786	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2c[nH]c3ccccc23)n(C)n1	194264348	WUXGNNDNAHJHBF-UHFFFAOYSA-N	312.333	1.676	50	20	DDGD	
C=CCC(CC=C)C(=O)NNc1nc(O)c2cnn(C)c2n1	269294044	GOAXFULSFZDXGD-UHFFFAOYSA-N	302.338	1.280	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)nn1	265181127	QIVFRDGUKHXBJP-VXGBXAGGSA-N	320.397	1.058	50	20	DDGD	
CC(C)OC(=O)[C@@H](C)CNC(=O)NNC(=O)c1ccccc1	266527243	PMAGVECVPXZWGW-NSHDSACASA-N	307.350	1.218	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)CBr)CCO[C@@H]1C1CC1	368770367	OJUJIMCNVNLANR-ZJUUUORDSA-N	312.229	1.463	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNC(=O)c2cccn2C)ccn1	268283549	BQTBGRSRZCZZRF-UHFFFAOYSA-N	302.334	1.282	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C[C@@](C)(O)C1CC1)c1ccccc1	270070867	RTACQTXAFQOIGS-RHSMWYFYSA-N	304.390	1.879	50	20	DDGD	
CCCC(=O)N1CSC[C@@H]1C(=O)NNc1cccc(OC)n1	272494787	FTKJLQQZHNDHOD-SNVBAGLBSA-N	324.406	1.235	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCS[C@@H](C(C)C)C2)n1	279651398	KNISCIIFHQYLKQ-CYBMUJFWSA-N	322.434	1.818	50	20	DDGD	
CCCOC(=O)c1ccc(NC(=O)NNC(=O)C2CC2)cc1	273157059	AEZOSUUHFJZHLL-UHFFFAOYSA-N	305.334	1.816	50	20	DDGD	
CC[C@H]1CN(C(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)C[C@@H]1O	270603291	YTEOJOUZQUJREI-ZJFSMLFFSA-N	312.373	1.341	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)Cc2ccc(F)cc2)CCO1	271297257	TVWKCHGOKQHGSG-GXFFZTMASA-N	309.341	1.266	50	20	DDGD	
C[C@@H](C(=O)NNc1ccnc(F)c1)n1nnnc1C(C)(C)C	272731849	KWXJSRFNMQCWPA-QMMMGPOBSA-N	307.333	1.209	50	20	DDGD	
C/C=C(/CC)C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	276388055	FKYVKCBWWCUMRO-POHAHGRESA-N	322.361	1.830	50	20	DDGD	
O=C(NN=c1nc(-c2ccccc2)[nH]o1)c1cnc2n1CCCC2	362780071	DKILEIWEYFPWEO-UHFFFAOYSA-N	324.344	1.448	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H](CO)CC(C)C	272260337	BADUAHMTLLVQRL-LLVKDONJSA-N	309.366	1.046	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@@H](OC)C1CC1	279162901	BXCVRTKGSMYCLQ-HNNXBMFYSA-N	322.361	1.037	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@H]2CCCC(C)(C)C2)n1	276778539	PFGZTVPGCFLODP-ZDUSSCGKSA-N	321.425	1.799	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNc2cccc(S(C)(=O)=O)c2)O1	272061472	WTPUHICHZFDNOR-DGCLKSJQSA-N	312.391	1.491	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)[C@@H]1C[C@@]12CCOC2	373420952	FAMNNDSMZZUBOJ-ZUZCIYMTSA-N	300.318	1.205	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)Nc1ccccc1C	286406170	FBVJFNQWICHOGA-QWRGUYRKSA-N	305.334	1.347	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](C)Oc1ccc(F)cc1Cl	286441023	RSGNAHHPGGLHDP-ZETCQYMHSA-N	304.705	1.976	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H](C)CS(C)(=O)=O	288568599	FWURTJSUCRZBJU-SECBINFHSA-N	315.351	1.027	50	20	DDGD	
CSSCCNC(=O)C(=O)NCCCc1ccccc1	285553104	BHTSZCGLXVPFSH-UHFFFAOYSA-N	312.460	1.863	50	20	DDGD	
CN(C)C(=O)NNC(=O)C1CCN(Cc2ccccc2)CC1	377467544	GPZXTWGWGGUFBS-UHFFFAOYSA-N	304.394	1.201	50	20	DDGD	
Cc1cnn(CCC(=O)NNc2ccc([N+](=O)[O-])cc2C)c1	805373821	BESXJVWQLUYXHS-UHFFFAOYSA-N	303.322	1.942	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@H]1C(=O)NNc1cccc(F)n1	804768147	PMHCLIBECCAOAP-YMTOWFKASA-N	303.293	1.892	50	20	DDGD	
Cc1nn2cccnc2c1C(=O)NNC(=O)Nc1ccccc1	801992496	QAULSSFALRYQKQ-UHFFFAOYSA-N	310.317	1.504	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCc2scnc2C)o1	297092786	LPKPCMRAFDVEHZ-UHFFFAOYSA-N	308.363	1.540	50	20	DDGD	
COc1cnc(NC(=O)NNC(=O)c2ccccc2OC)s1	806510717	AZHODDQWGXGPDD-UHFFFAOYSA-N	322.346	1.627	50	20	DDGD	
C[C@H]1CN(CCOC(=O)/C(C#N)=C/c2ccccc2)CCO1	800216916	HTTASEQWZHBTKP-LUYJPIOASA-N	300.358	1.857	50	20	DDGD	
CSCC[C@H](O)C(=O)NNC(=O)c1ccc(Cl)cc1F	295024536	DRQNQUGWMKOJBL-JTQLQIEISA-N	320.773	1.354	50	20	DDGD	
COc1ccc(F)cc1CC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	294128647	GDCARFNXEMDFJC-ZANVPECISA-N	310.325	1.092	50	20	DDGD	
COCCN(C)NC(=O)c1ccnc(N2CCC[C@H](C)C2)c1	297015495	HSDJRVTTZUFBJB-ZDUSSCGKSA-N	306.410	1.541	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cccc(O[C@H](C)C(=O)O)c1	299333022	QIBSAUADPMDUGO-KAQJVSAMSA-N	318.329	1.208	50	20	DDGD	
Cc1cc(C(=O)NNc2ncccc2F)c2c(O)nn(C)c2n1	804215039	AHHGNKIZERSGLI-UHFFFAOYSA-N	316.296	1.273	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1cccc(C(=O)NC2CC2)c1	298814934	LALBRBVJEFQSIX-SDNWHVSQSA-N	313.357	1.639	50	20	DDGD	
COc1ccc(COCCNC(=O)NNc2ccncn2)cc1	296675268	PDDLTELVAINZSB-UHFFFAOYSA-N	317.349	1.328	50	20	DDGD	
COC[C@H](C)OC(=O)/C(C#N)=C\c1ccc2c(c1)OCCO2	298788909	IGRUFFIQVIHLJV-HKMIMPICSA-N	303.314	1.943	50	20	DDGD	
CCC(CC)n1nc(C(=O)NNC(=O)[C@H]2CCCCO2)cc1C	295673454	XHOLKKBMQFGEIW-CQSZACIVSA-N	322.409	1.883	50	20	DDGD	
O=C(NCc1coc2ccccc12)NNC(=O)[C@H]1CCCCO1	296577074	YHBRHXZQNYPYPL-CQSZACIVSA-N	317.345	1.832	50	20	DDGD	
COc1ccsc1C=NNC(=O)COc1ccccc1O	814952311	UJXUTFDCXROCNY-UHFFFAOYSA-N	306.343	1.991	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NOCC(C)(C)O)cc1	819541699	GKEALIKSTKHFKK-LCYFTJDESA-N	304.346	1.811	50	20	DDGD	
COC(=O)CCC(C)=NNC(=O)Nc1ccc2c(c1)OCO2	814992812	PZIXJVBWOXWMMP-UHFFFAOYSA-N	307.306	1.866	50	20	DDGD	
CN(NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1	819649410	DEXXVTWOYWGPFB-UHFFFAOYSA-N	308.294	1.561	50	20	DDGD	
Cc1nn(CCC#N)c(C)c1CCC(=O)NNC(=O)CC1CC1	819117981	KVKCZZSYMLKQFU-UHFFFAOYSA-N	317.393	1.294	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1conc1Cc1ccccc1	814778115	RGVGVBSUYGPFHU-UHFFFAOYSA-N	314.345	1.240	50	20	DDGD	
COc1cccc(O)c1C=NNC(=O)[C@H](C)CN1CCCCC1	812489853	HMPBECALVGYNBY-CYBMUJFWSA-N	319.405	1.973	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H](C2CCCC2)C1)c1ncccn1	817170608	HQUCZQUGVSZACG-LBPRGKRZSA-N	303.366	1.343	50	20	DDGD	
CC(C)c1ccccc1OCC(=O)NNC(=O)c1cccn1C	726538415	JLYOVUPKHSJGCK-UHFFFAOYSA-N	315.373	1.989	50	20	DDGD	
O=C(CCc1nccs1)NNC(=O)CNc1ccccc1	729513212	BONBKKJNWYRWBY-UHFFFAOYSA-N	304.375	1.335	50	20	DDGD	
NC(=O)N1CCC(=NNC(=O)c2ccc3ccccc3n2)CC1	812370642	OUGJCXKGINZAFV-UHFFFAOYSA-N	311.345	1.495	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)CC1(O)CCCC1	822728226	PYNOJXSDAOBTRG-UHFFFAOYSA-N	310.325	1.751	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNc1nc(-c2ccccc2)no1	728080341	FFJYSWHOXPDSBV-SECBINFHSA-N	303.322	1.094	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)[C@@H](C)NC(=O)OC(C)(C)C	496407994	XFGXUQWDCWKFDK-SECBINFHSA-N	307.354	1.496	50	20	DDGD	
CC(C[C@@H]1COCCN1C(=O)OC(C)(C)C)=NN(C)C(N)=O	495411649	FVDBINUACPGNKQ-LLVKDONJSA-N	314.386	1.399	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)/C=C/[C@@H]2CCOC2)c1	493675833	RPOWIWXPOWUZDF-NNNHXZLVSA-N	318.377	1.816	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc2oc(N(C)C)nc2c1	494474989	ZCMCFJOCNQKWMX-UHFFFAOYSA-N	307.310	1.676	50	20	DDGD	
CCn1cc(CNC(=O)NNc2ccc(Cl)c(OC)c2)nn1	821727695	HHUDBSYCDRBWCM-UHFFFAOYSA-N	324.772	1.786	50	20	DDGD	
Cc1cnn(C)c1C=NNC(=O)CCNC(=O)OC(C)(C)C	495612809	NVYBFGLFHVUEMN-UHFFFAOYSA-N	309.370	1.093	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H]1CC12CCSCC2	823223186	XJEBYABUZHUQRZ-GFCCVEGCSA-N	320.414	1.990	50	20	DDGD	
Cn1nnc2cc(/C=C(/C#N)C(=O)N=c3cc[nH]cc3)ccc21	490943185	QQLBACMSSSVLTF-WQLSENKSSA-N	304.313	1.331	50	20	DDGD	
COc1cccc(-c2cc(C(=O)NN(C)[C@H](C)CO)n[nH]2)c1	823945917	AJGWJMKHDMJOBW-SNVBAGLBSA-N	304.350	1.043	50	20	DDGD	
Cc1c(NNC(=O)NC[C@H]2CCCOC2)cccc1[N+](=O)[O-]	728129805	NLHLGMGRNRWHJQ-LLVKDONJSA-N	308.338	1.956	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N[C@H]1CC[C@@H](C(N)=O)C1	491010850	NHKRGUOVUMSTAF-QEHRABDOSA-N	301.321	1.503	50	20	DDGD	
CN1CC[C@@H](NC(=O)/C(C#N)=C/c2ccc(F)cc2)CC1=O	588613602	KFBIARKXOUGCFT-CEFACKQISA-N	301.321	1.470	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)NNc1ccncn1	496126991	WMDCICNERMPTPT-GHMZBOCLSA-N	321.381	1.613	50	20	DDGD	
O=C(NCB(O)O)c1ccc(Oc2cccc(Cl)c2)cc1	585062697	WCUAAPNYNDQZSI-UHFFFAOYSA-N	305.526	1.874	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)cc1	585027895	AJXFVTXSJVNXKZ-QRVBRYPASA-N	307.202	1.432	50	20	DDGD	
O=C(C1=C(c2ccccc2)SCCO1)N1CC[C@@H](B(O)O)C1	902551341	CZMOQDWGSHBLBQ-GFCCVEGCSA-N	319.191	1.194	50	20	DDGD	
C[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(C)(C)c1ccccc1	584939980	PPLQJIJFCQAPCH-CYBMUJFWSA-N	311.190	1.463	50	20	DDGD	
COC(=O)Cn1ccc(NC(=O)[C@]2(C)C[C@H]2Br)n1	906532156	CACBZCAAPGENAE-RDDDGLTNSA-N	316.155	1.168	50	20	DDGD	
CC(C)n1cncc1C=NNC(=O)CNC(=O)OC(C)(C)C	497083363	ZJTFEVNCHRCPSL-UHFFFAOYSA-N	309.370	1.439	50	20	DDGD	
COc1cn(-c2ccccc2)nc1C(=O)NNc1cnccn1	734245388	YMRUMJNJMRDMDC-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
O=C(CCc1nc(O)c2ccccc2n1)NNC(=O)C1CCC1	732142961	NSIMHWAWPNDJAU-UHFFFAOYSA-N	314.345	1.216	50	20	DDGD	
COc1ccccc1C1(C(=O)NNC(=O)c2c[nH]nc2C)CC1	732083282	QPVZHNRHSBBSMP-UHFFFAOYSA-N	314.345	1.220	50	20	DDGD	
CC(=O)NC[C@H](CC(=O)NNc1ncc(F)cn1)CC(C)C	827473539	UHSWNGRSNCQNBX-NSHDSACASA-N	311.361	1.247	50	20	DDGD	
O=C(NNC(=O)c1nc2ccccc2nc1C1CC1)NC1CC1	822782649	ZEBQSZCRWULCCR-UHFFFAOYSA-N	311.345	1.614	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N(CCO)C2CCSCC2)cn1	491012275	QSALWKGAXYYSBJ-MDWZMJQESA-N	320.418	1.044	50	20	DDGD	
Cc1ccc(NNC(=O)NCCc2ccc3c(c2)OCO3)nn1	730021686	OCMFPEKSJPVNAP-UHFFFAOYSA-N	315.333	1.383	50	20	DDGD	
Cn1cc(C=NNC(=O)c2ncon2)c(C2CCCCC2)n1	901289094	BBSVAFBGGSGDOU-UHFFFAOYSA-N	302.338	1.615	50	20	DDGD	
OB(O)c1ccccc1CNC[C@@H]1CCC2(CCCCC2)O1	585038263	YGZWEXLVLBETJK-HNNXBMFYSA-N	303.211	1.338	50	20	DDGD	
CC(=O)c1cn(CC(=O)NNc2ccc(C(C)C)cc2)nn1	837058529	QNHHZQWVSLUPTR-UHFFFAOYSA-N	301.350	1.747	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCOc1ccc(C(=O)O)cc1	736241305	LDGUNMVBPDCEHE-UHFFFAOYSA-N	323.349	1.140	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N[C@H](C)CC(=O)NC)c1ccccc1	836630808	QTXOYJPIIUFOHG-DGCLKSJQSA-N	320.393	1.035	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)[C@H]2CCCCO2)c1F	836528804	SRZDNVIQJASKQZ-LLVKDONJSA-N	311.313	1.556	50	20	DDGD	
CC(C)c1ccc(SCC(=O)N2CC[C@H](B(O)O)C2)cc1	585068832	IJQCWBLGTYFHLQ-ZDUSSCGKSA-N	307.224	1.977	50	20	DDGD	
OB(O)[C@@H]1CCN(c2ncnc3sc4c(c23)CCCC4)C1	585073877	PIRNSVCDHFGJJI-SECBINFHSA-N	303.196	1.623	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCCc2cc(OC)ccc2C1	732200749	MXNBEANEXOWYLN-LBPRGKRZSA-N	319.405	1.389	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@@H]1CCCCN1C1CCCC1	584914151	QNCCGIPFLUOISH-INIZCTEOSA-N	316.210	1.102	50	20	DDGD	
COCCOCCC(=O)NNc1cccc(Br)n1	837209754	BDFPYLDNCHVWAB-UHFFFAOYSA-N	318.171	1.340	50	20	DDGD	
O=C(NCCn1cncn1)NNc1cc(F)c(F)cc1F	734666711	INHCRILRKKSTCR-UHFFFAOYSA-N	300.244	1.022	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cnc(-c2ccccc2)[nH]1	736077890	PNKWPYNNTQHQRI-UHFFFAOYSA-N	310.317	1.183	50	20	DDGD	
CC(C)N(C)CCNC(=O)NNC(=O)C(C)(C)c1ccccc1	731220750	REXAHZHIUWPGQH-UHFFFAOYSA-N	320.437	1.635	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2cnn(C)c2C)c(C)c1	913901433	ZPIILMCIHMLOBA-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
Cc1ccc(C2(C(=O)N3CC[C@@H](B(O)O)C3)CCOCC2)cc1	585071715	ZRQLZKQUNSODPK-OAHLLOKOSA-N	317.194	1.119	50	20	DDGD	
Cc1ccc(C)c2c1NC(=O)C2=NNC(=O)[C@@H]1CCCCO1	834988295	IEAYITJHVPSPLE-NSHDSACASA-N	301.346	1.645	50	20	DDGD	
CCC[C@@H](CNC(=O)NNC(=O)Cc1ccccc1C)OC	836526762	SCBZAMLBDZELLP-AWEZNQCLSA-N	307.394	1.683	50	20	DDGD	
CN1CCC[C@@H](CCNC(=O)NNC(=O)c2ccccc2)C1	838764022	CGZCPPBRXRMXKP-ZDUSSCGKSA-N	304.394	1.363	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)[C@H]1CCCCO1)c1ccccc1	836381424	DGMMHPIWGCLQAJ-UONOGXRCSA-N	321.377	1.274	50	20	DDGD	
CC(C)SCC(=O)NNC(=O)Cn1cnc2ccccc21	914459323	UGDVQFHHYLBNNT-UHFFFAOYSA-N	306.391	1.325	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NC1CC(CO)(CO)C1	913316702	WGZLVWJKPJDJPB-VIFPVBQESA-N	308.216	1.046	50	20	DDGD	
CCCn1cccc1C=NNC(=O)c1ccc(-n2cnnn2)cc1	918153496	XLTBLPWGWSAMCK-UHFFFAOYSA-N	323.360	1.638	50	20	DDGD	
CNC(=O)c1ccc(C=NNC(=O)c2ccc(C)cc2O)cc1	917548175	FDPNHUVYHUZLIZ-UHFFFAOYSA-N	311.341	1.824	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cnn(C(C)(C)C)c1	915959226	AHYAIIYBFLWSHI-UHFFFAOYSA-N	306.395	1.749	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccccc2Cn2cncn2)cc1	748127657	DQBZBJLRYOZPFI-UHFFFAOYSA-N	318.340	1.955	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@H]2CCC[C@@H](N)C2)cc1F	841981059	PMICAEOESMISKM-ZJUUUORDSA-N	324.356	1.508	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CC[C@H](n2ccnn2)C1	911828992	CZCBHZHUYYXZTC-VHSXEESVSA-N	315.215	1.861	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNc1ccccc1S(C)(=O)=O	841405587	RJJKPPBPEXCGAI-GFCCVEGCSA-N	314.407	1.594	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@]12CCCc1ccccc12)c1ncccn1	841350676	QKIJPCOUFQDBEZ-KBXCAEBGSA-N	322.368	1.532	50	20	DDGD	
CC1(C)C(C(=O)NNc2ccccc2S(N)(=O)=O)C1(C)C	842262309	RSFBEANTTNGMMF-UHFFFAOYSA-N	311.407	1.459	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ncc(Br)cn1)[C@H](C)N	848436243	KPCWRVPMZRTJRY-CBAPKCEASA-N	316.203	1.302	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(N(C)C)c(F)c1	843645180	LWSMDZSQARZXEB-GXSJLCMTSA-N	309.341	1.078	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N[C@H]1CC[C@@H](CN)C1)c1ccccc1	842011773	UYRRQMBOKUTMFP-OCCSQVGLSA-N	318.421	1.422	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N1[C@H]2CC[C@H]1COC2)c1ccccc1	841583339	DVWBSAVKQWFZOY-KBPBESRZSA-N	317.389	1.568	50	20	DDGD	
CC(C)Cn1ccc(C(=O)NNC(=S)N[C@H](C)C2CC2)n1	912160048	KHBVSTAZEKBFKJ-SNVBAGLBSA-N	309.439	1.447	50	20	DDGD	
CN(C)CCCCC(=O)NNC(=O)NCCc1cccs1	741212897	TVIJHVCYOBOQAH-UHFFFAOYSA-N	312.439	1.353	50	20	DDGD	
O=C(NN=Cc1cc[nH]c1)c1csc(N2CCOCC2)n1	745193749	GFZIQIGHAPBWKC-UHFFFAOYSA-N	305.363	1.072	50	20	DDGD	
C[C@H](C(=O)NNc1nc(-c2ccncc2)no1)c1cnn(C)c1	749951329	QGDIZFYHBBDKRG-VIFPVBQESA-N	313.321	1.112	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H](C)Cc2ccccn2)nc1	848671044	RSCAQQILFAIQAG-LLVKDONJSA-N	301.350	1.743	50	20	DDGD	
C[C@H](Sc1ccccn1)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843980577	UXLZEZGQTDASDR-DCAQKATOSA-N	309.391	1.135	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2=C(C)CCC2)cc1OC	746773853	ZHJBTCOHXNHVTP-UHFFFAOYSA-N	304.346	1.965	50	20	DDGD	
CCOCCCN1CCC(=NNC(=O)c2ncccn2)[C@H](C)C1	841664214	KXFBWZFWJXDEGW-CYBMUJFWSA-N	319.409	1.331	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)NC[C@@H](C)N)cc2C1	841988194	ZPNPLBPDZYRXCC-DTWKUNHWSA-N	310.423	1.164	50	20	DDGD	
Cc1nnc(NNC(=O)c2cnc3ccccc3c2C)nc1O	748841773	YJCZFVJDXSRYPJ-UHFFFAOYSA-N	310.317	1.499	50	20	DDGD	
COc1cccc(NNC(=O)NCC[C@@H]2C[C@H]3CC[C@H]2O3)n1	841589922	LTEPLXGAZHYTHY-IJLUTSLNSA-N	306.366	1.674	50	20	DDGD	
CC[C@H](N)CNC(=O)NNC(=O)Cc1ccc2ccccc2c1	842005708	JSRSRIBFBBGQCS-HNNXBMFYSA-N	314.389	1.450	50	20	DDGD	
O=C(CCOc1ccccc1F)NNC(=O)C1CCOCC1	923073129	JLRWAQSADWVXGM-UHFFFAOYSA-N	310.325	1.169	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c2ccccc21	752733331	IHWLXNLUOFAHPB-WDEREUQCSA-N	323.418	1.342	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cccc2[nH]ncc12	855092735	ABSRZMOAYCAYIW-UHFFFAOYSA-N	303.391	1.472	50	20	DDGD	
CC[C@H](C)[C@H](O)CNC(=O)NC[C@@]1(C)C[C@H]1Br	856955150	KFATXFOCLRTALM-BTQIBKBOSA-N	307.232	1.866	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccc(Cl)cc1	929169820	PXKAWGFAYAGNAJ-GHMZBOCLSA-N	310.737	1.300	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1cc2cccc(F)c2o1	755290803	YGOWJNFOSHICLR-UHFFFAOYSA-N	302.265	1.299	50	20	DDGD	
C[C@@]1(CNC(=O)N2CCC(CO)CC2)C[C@H]1Br	856951366	UPQLNGUBSJZGKZ-PWSUYJOCSA-N	305.216	1.574	50	20	DDGD	
C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@]1(C)C[C@@H]1Br	857404321	TZUALDIRKMMGDJ-RVBZMBCESA-N	319.243	1.827	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1CCN(C)c2ccccc21	750725277	IVARHLUFQYBZET-CYBMUJFWSA-N	304.394	1.741	50	20	DDGD	
COc1cc(OC)c(C=NNC(=O)NCC2CC2)c(OC)c1	920828773	GGWKGUBCMZPXPZ-UHFFFAOYSA-N	307.350	1.756	50	20	DDGD	
C[C@@H]1CN(CCC(=O)NNC(=O)C23CCC(CC2)C3)C[C@@H](C)O1	753387046	INZQBSBRNXVXDE-GXZXJKLZSA-N	323.437	1.213	50	20	DDGD	
COCCC1(CNC(=O)NNc2ncc(Cl)cn2)CCC1	856878379	QFJPOVIWCNZCOM-UHFFFAOYSA-N	313.789	1.963	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@@H](C)[C@](C)(CO)C1	856249354	WHNCCUYFRITJSY-BMIGLBTASA-N	313.829	1.829	50	20	DDGD	
C[C@@H]1Cc2cc(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)ccc2O1	855006954	RGLMBBDWDLDFKD-GIPNMCIBSA-N	304.346	1.196	50	20	DDGD	
COC1(C(C)=NNC(=O)Cc2cn3ccccc3n2)CCC1	853313331	FRKBEJJWMZCOCD-UHFFFAOYSA-N	300.362	1.938	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccc(C)c(F)c2)ccc1=O	856230958	JAJIKQFVBCYYBG-UHFFFAOYSA-N	319.336	1.699	50	20	DDGD	
CCOC(=O)[C@@H]1CCN(S(=O)(=O)CC(C)(C)CCl)C1	921725592	MOWXHYANYBVUEG-SNVBAGLBSA-N	311.831	1.466	50	20	DDGD	
CCN1CC[C@@H](NC(=O)NNc2cc(Cl)ccc2C)C1=O	922385279	YLIPTGYTVXYROS-LLVKDONJSA-N	310.785	1.895	50	20	DDGD	
CCN1C[C@H](CNC(=O)NNc2cc(F)ccc2F)CC1=O	923075879	SBNZMSXDJNJOQE-VIFPVBQESA-N	312.320	1.459	50	20	DDGD	
CC(C)OC1CCC(NC(=O)NNC(=O)c2cnn(C)c2)CC1	752696921	FZGMLVMPZHSUBO-UHFFFAOYSA-N	323.397	1.100	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Nc1cc(C)ns1	756856068	JKEZVVPZELAQBD-UHFFFAOYSA-N	306.347	1.927	50	20	DDGD	
COCC(C)(C)C=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1	754918320	RVWNTERYPJIOFU-RDBSUJKOSA-N	313.442	1.506	50	20	DDGD	
Cn1nncc1NNC(=O)COc1ccc2c(c1)CCCC2	857272461	BJLXSHQDLJGHSW-UHFFFAOYSA-N	301.350	1.216	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=C1CCCn2nccc21	853279349	QSFRQZJRBZXQCY-ZDUSSCGKSA-N	303.410	1.619	50	20	DDGD	
C[C@@H]1c2ccc(F)cc2CCN1C(=O)NNC(=O)c1cn[nH]c1	858704552	MEMRXFYRRKJGIW-SECBINFHSA-N	317.324	1.523	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H](C)Sc2ccccn2)n1	753980352	GOJAXCKBRUJSTN-VIFPVBQESA-N	305.363	1.504	50	20	DDGD	
C=CCc1cc(C(=O)NN(C)C(=S)NC)cc(OC)c1OC	854926740	JTSPAJOCBFVVAV-UHFFFAOYSA-N	323.418	1.513	50	20	DDGD	
CC(C)N1CC[C@@H](NC(=O)NNc2ccc(Cl)cn2)C1=O	852133497	FHVRHNBPFAIYFF-SNVBAGLBSA-N	311.773	1.370	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc(OCCOC)c1	756010471	VVZKDZVIQBACPA-NSHDSACASA-N	309.366	1.911	50	20	DDGD	
CN(C)c1ncc(CNC[C@@]2(C)C[C@@H]2Br)n1C	856810235	WLHKMEDWDHNVPL-CMPLNLGQSA-N	301.232	1.749	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@H]1CC(=O)N(C2CC2)C1	853825935	WYPWHPNMJHUZGU-NSHDSACASA-N	306.341	1.524	50	20	DDGD	
C#CC[C@H](CCOC)NC(=O)NNC(=O)CCc1ccccc1	859022606	OTIRQWOEEREGHM-OAHLLOKOSA-N	317.389	1.378	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cc(N)nc(Cl)c1)C1CC1	855101926	DEGDHMKKVBXWOE-LURJTMIESA-N	313.814	1.225	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)c3cnco3)cc2C1	758097260	AKJGRTNENMREDP-QMMMGPOBSA-N	305.359	1.936	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCC(=O)N1CCCCC1	866493933	DAGAWMUEXPQJSH-UHFFFAOYSA-N	310.847	1.183	50	20	DDGD	
CCc1ncncc1C(=O)N(C)NC(=O)OCc1ccccc1	862286570	APJWLXAOEKWBJL-UHFFFAOYSA-N	314.345	1.952	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)OC(C)(C)C)C(=O)N2C	864604319	TZEPQHASMDMTFT-UHFFFAOYSA-N	305.334	1.900	50	20	DDGD	
COC(=O)c1[nH]c(C)c(C(=O)NN=c2cc[nH]c(C)c2)c1C	862512596	BKXOQQWTQXSIDY-UHFFFAOYSA-N	302.334	1.300	50	20	DDGD	
CSc1cc(C(=O)NNC(=O)Cn2nc(C)cc2C)co1	864503121	BVGBWVBNCSCORL-UHFFFAOYSA-N	308.363	1.276	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)NC[C@@H]1COCCN1	861684594	OWJACJSABMWUSN-CYBMUJFWSA-N	306.410	1.733	50	20	DDGD	
CS(C)(=O)=Nc1cccc(NCc2ccccc2B(O)O)c1	864015462	POMVMIDXJHKLQK-UHFFFAOYSA-N	318.207	1.338	50	20	DDGD	
C[C@H](CNS(=O)(=O)CC(C)(C)CCl)CN1CCCC1	866543065	QVMVWGLTJUSUPX-GFCCVEGCSA-N	310.891	1.903	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C1CCN2CCC[C@@H]12	765555188	PSVYVFZJWUREPL-AWEZNQCLSA-N	302.378	1.447	50	20	DDGD	
COCC[C@@]1(NS(=O)(=O)CC(C)(C)CCl)CCOC1	867199078	FNNBTRBVCLYALK-GFCCVEGCSA-N	313.847	1.366	50	20	DDGD	
CN(C)CC(=O)NN=Cc1c(Cl)cccc1N1CCCC1	763361890	BLVMVMPCXFDKBJ-UHFFFAOYSA-N	308.813	1.952	50	20	DDGD	
CCC(=NNC(=O)CS(C)(=O)=O)c1cccc(Cl)c1	863188879	QURYUQTXCCWXQR-UHFFFAOYSA-N	302.783	1.615	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	863102289	YTLADHDNVKAPTJ-XVMARJQXSA-N	300.227	1.420	50	20	DDGD	
Cc1nn(C)c(Cl)c1C(=O)NNCC(F)(F)C(F)(F)F	863091512	KDUNKUVUOOEPJA-UHFFFAOYSA-N	320.649	1.814	50	20	DDGD	
CCN1CCC[C@@H](CNC(=O)NNC(=O)c2ccccc2)C1	1116229904	PVBOSEWDNUHXAY-ZDUSSCGKSA-N	304.394	1.363	50	20	DDGD	
COC(=O)[C@]1(NC(=O)[C@H](Br)C(C)(C)C)CCOC1	768253935	SUCHILFLYNHRLK-UFBFGSQYSA-N	322.199	1.244	50	20	DDGD	
COc1cc(C#N)ccc1NC(=O)NNC(=O)c1ccncc1	766241551	OKWRMRNFQQMUGH-UHFFFAOYSA-N	311.301	1.428	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)COc1ccccc1F)c1ccc[nH]1	760287609	LVAFQWIHRBBQEJ-JTQLQIEISA-N	320.324	1.624	50	20	DDGD	
CCc1nn(C)c(Cl)c1C(=O)NNc1ccnc(N(C)C)n1	768400504	FYOWGWCMDDGYRF-UHFFFAOYSA-N	323.788	1.249	50	20	DDGD	
COC(=O)N(C)NC(=O)NCC[C@H](C)N(C)Cc1ccccc1	875333334	CCFUIIUKHFZGJW-ZDUSSCGKSA-N	322.409	1.809	50	20	DDGD	
C[C@@]1(CNC(=O)c2cnc(C(=O)O)cn2)C[C@H]1Br	1118753922	DZPXPJCFFJVDQN-KCJUWKMLSA-N	314.139	1.078	50	20	DDGD	
CC(Cl)(Cl)C(=O)NNc1nc(-c2cccnc2)no1	777394716	ICJOSXYFRJTNFP-UHFFFAOYSA-N	302.121	1.769	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2cccc(O)c2O)CC1	1115813082	NAOGRBHVYNMBMM-UHFFFAOYSA-N	305.378	1.670	50	20	DDGD	
CN[C@H](C)CCNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	1117966684	LWUWJDAXKCNPQY-GFCCVEGCSA-N	320.437	1.926	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ncccc1C(F)(F)F	770710710	JLQBBYVKVPJCAK-UHFFFAOYSA-N	302.256	1.454	50	20	DDGD	
COC(=O)c1csc(NC(=O)NNc2nccc(OC)n2)c1	775674060	WYUNYEFEOPAJRC-UHFFFAOYSA-N	323.334	1.482	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@H](Oc2ccc(F)cc2)C1	879999555	MTOJKTMYAWSRSY-AWEZNQCLSA-N	323.368	1.082	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NOC2CCCCC2)cc1	777484483	IHSLGOZJVBNNPI-UHFFFAOYSA-N	302.334	1.767	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccc2c(c1)OCO2)CC(C)(C)C	873751520	SPQAXTOGTMYJJX-UHFFFAOYSA-N	321.377	1.154	50	20	DDGD	
O=C(CO[C@H]1CCOC1)NNc1ccc(C(F)(F)F)cn1	1116673225	SNGQBGDPGKFKOK-VIFPVBQESA-N	305.256	1.349	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C/c1ccc(Cl)cc1	771890635	KUQORXHAECHYJJ-OLKPEBQYSA-N	324.764	1.842	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)Cc1cc(C)on1	773619750	JZKYZOHVNBKUAY-UHFFFAOYSA-N	307.281	1.595	50	20	DDGD	
CC1=NO[C@@H](C(=O)NNC(=S)Nc2cc(C)ccc2C)C1	873756501	LMXZURHHQZMFME-GFCCVEGCSA-N	306.391	1.786	50	20	DDGD	
C[C@@H]1COCC1=NNC(=O)CSc1ccccc1[N+](=O)[O-]	1119357457	URMXIWPTQDMTNU-SECBINFHSA-N	309.347	1.825	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)C(=O)NNC(=S)Nc1ccccn1	874956205	PKURGSVNHFUTQP-JTQLQIEISA-N	318.406	1.012	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)C1(Br)CC1	874265337	UXFNOMOKBXYYII-UHFFFAOYSA-N	311.179	1.694	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCN(C)[C@H](C)[C@H]1C	771409078	WDASXGVDAIWSQP-VXGBXAGGSA-N	312.845	1.903	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc2ccccc2n1	771883492	JQVPCKPYVOBRHT-JTQLQIEISA-N	315.329	1.338	50	20	DDGD	
Cc1cc(O)ccc1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	772213631	MGEYKZIBXRPSPY-NSHDSACASA-N	322.361	1.439	50	20	DDGD	
O=S(=O)(CCCCl)NCCc1ccc2c[nH]nc2c1	882169858	ZEVCNZAMTUNVQA-UHFFFAOYSA-N	301.799	1.654	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccn(C(C)C)n2)cc1O	882049097	KNOGGSFFJSMCQT-UHFFFAOYSA-N	316.361	1.482	50	20	DDGD	
COc1ccc(SC)c(OC)c1C(=O)NNC(=O)N(C)C	775682868	MKRIGXSJLFLNFP-UHFFFAOYSA-N	313.379	1.342	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1ccc(F)c([N+](=O)[O-])c1	771595894	RDXFDNXLORCIDW-VIFPVBQESA-N	315.301	1.619	50	20	DDGD	
CCS(=O)(=O)c1c(Cl)cccc1C=NN(C)C(N)=O	774395906	HLNKGQPOEXFPFX-UHFFFAOYSA-N	303.771	1.478	50	20	DDGD	
CCC[C@@H]1C[C@H](C(=O)O[C@@H](C)C(=O)NNC(=O)CC)CCO1	772254526	IYLONGSSRWMXMJ-QJPTWQEYSA-N	314.382	1.071	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)no1	772953880	KMXWXGPSHBXHGI-SECBINFHSA-N	323.736	1.865	50	20	DDGD	
CC(=NNC(=O)CCN1CCCCCC1)c1nccnc1C	783510146	WLJLVJAGPNFQDJ-UHFFFAOYSA-N	303.410	1.891	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2cnc(N)nc2)c2ccccc2n1	781577083	MIGACGAXAYMAGF-UHFFFAOYSA-N	306.329	1.679	50	20	DDGD	
Cc1nn[nH]c1C(=O)NNc1ccc(Br)cc1F	789996641	SMKRISDPQCXKLT-UHFFFAOYSA-N	314.118	1.772	50	20	DDGD	
O=C(CCCc1ccc(O)c(F)c1)NNC(=O)c1ccccn1	786682987	AIRNAJYLTDSMFJ-UHFFFAOYSA-N	317.320	1.710	50	20	DDGD	
Cc1nnsc1C(=O)NNc1ccc(Br)nc1	788000275	PZSXFVGLFYVFCI-UHFFFAOYSA-N	314.168	1.761	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1c(F)ccc2ccncc12	883071664	JHHMIILUKCOZSK-UHFFFAOYSA-N	317.320	1.562	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Nc2cnc(C)nc2)c1	780552379	ODMMZDDVWWGUNH-UHFFFAOYSA-N	301.306	1.720	50	20	DDGD	
CCCN1CCC(NC(=O)NNc2ncncc2Cl)CC1	780946250	GXSRZRNGGCHGSU-UHFFFAOYSA-N	312.805	1.631	50	20	DDGD	
C=CCS(=O)(=O)CCNC(=O)/C(C#N)=C/c1ccc(O)cc1	787513810	GCWOCFPKBZXITE-JLHYYAGUSA-N	320.370	1.016	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccn(CC(C)C)n2)nc1	897234311	HGOROBDVHRJWMM-UHFFFAOYSA-N	317.349	1.478	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@H]1CCCN1C1CCCC1	781813642	KUQKIYKATLCGTJ-GFCCVEGCSA-N	309.801	1.980	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2n[nH]c3c2C[C@H](C)CC3)n1	895556114	FPDSIVJHWQHDDD-MRVPVSSYSA-N	300.366	1.698	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@H](c1ccnn1C)C(C)C	788110709	HGCBVGXGJSSWGE-LBPRGKRZSA-N	309.414	1.536	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@@H]1CNc1cccc(CN2CCNC(=O)C2)c1	894575497	MXCDPLHRZFLHDH-PEYYIBSZSA-N	307.825	1.904	50	20	DDGD	
COc1cc(CNC(=O)NNc2ncncc2Cl)ccn1	780962724	ZKYFGPFZYNQUMU-UHFFFAOYSA-N	308.729	1.360	50	20	DDGD	
CCNC(=O)CC(=O)NNc1ccc(Br)c(C)c1	780992417	TXEORJNPHGOFQH-UHFFFAOYSA-N	314.183	1.727	50	20	DDGD	
CCOC(=O)[C@H](C)N(C1CC1)S(=O)(=O)CBr	786921806	AMTSBMMAEAVBBY-ZETCQYMHSA-N	314.201	1.085	50	20	DDGD	
Cn1cc(CCC(=O)NNc2cccc(F)c2[N+](=O)[O-])cn1	790584015	DFOAPWCSBDFSST-UHFFFAOYSA-N	307.285	1.543	50	20	DDGD	
COCCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)COC)o1	899341572	DAQDJARAJLJTSR-OYGDSYQHSA-N	308.334	1.363	50	20	DDGD	
CNc1nc(C)ccc1C(=O)NNC(=O)NC1CCCCC1	899939792	BUFKVMVRDHXAJE-UHFFFAOYSA-N	305.382	1.708	50	20	DDGD	
O=C(NCCN1CCNC1=O)NNc1cccc(F)c1Cl	891067899	MYYNZAMUWNUWCL-UHFFFAOYSA-N	315.736	1.130	50	20	DDGD	
Cn1cc(C(=O)CCC(=O)NNc2cccnc2Cl)cn1	795164925	IWTFIEDARNLCBA-UHFFFAOYSA-N	307.741	1.575	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)Cc1cnn2ccccc12	899998259	IRFAICLBPSOSSE-UHFFFAOYSA-N	305.407	1.171	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)c2cccc(C)n2)c(F)c1	794071859	GKQQTBMWVOQUOZ-UHFFFAOYSA-N	315.304	1.807	50	20	DDGD	
COc1cc(NNC(=O)CS(=O)(=O)C(C)C)ccc1Cl	790166036	MHHZTKKAUNVQQE-UHFFFAOYSA-N	320.798	1.615	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cncc(OC(C)C)c2)n1	794081667	NYISYLIBJWVHTQ-UHFFFAOYSA-N	314.345	1.647	50	20	DDGD	
COc1cc(NNC(=O)CNCC(F)(F)F)ccc1Cl	790176720	SUWDTVIXRFQCJA-UHFFFAOYSA-N	311.691	1.944	50	20	DDGD	
O=C(NNC(=O)c1ncoc1[C@@H]1CCCO1)c1ccccc1F	1318503207	ZXHOAHHGLYHITP-NSHDSACASA-N	319.292	1.740	50	20	DDGD	
C/C=C(/C=C/C(=O)NNC(=O)c1n[nH]c2c1CCCC2)CC	1319192891	VOXQHMQZYYVQLI-VVVHQUFHSA-N	302.378	1.962	50	20	DDGD	
O=C(NNc1cncc(Br)c1)C1CCOCC1	1319626576	HROIHFOIXPHTPV-UHFFFAOYSA-N	300.156	1.714	50	20	DDGD	
CNC[C@@H](C)CNC(=O)NNC(=O)c1ccc2ccccc2n1	1325324090	MESRECGZNNIURV-LLVKDONJSA-N	315.377	1.034	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C23CCCN2CCC3)c(F)c1	1326730142	NWHBYSLWVUXIFS-UHFFFAOYSA-N	321.352	1.684	50	20	DDGD	
Cc1cccc(OCC(=O)NNc2nncc(N)c2Cl)c1	1324060468	ZMFQYKRYOAYWCP-UHFFFAOYSA-N	307.741	1.543	50	20	DDGD	
CC1CC(CNC(=O)C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	1328966003	BMKINBXQRNTVEE-BWIGVGPWSA-N	317.227	1.438	50	20	DDGD	
C[N+](C)(C)CC(=O)NN=Cc1c(O)cccc1Br	1329190256	DPJQAPGSYRBNID-UHFFFAOYSA-O	315.191	1.311	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@@H]1CCO[C@]2(CCSC2)C1	1324087248	KTVGCFUYVGUWSD-QMTHXVAHSA-N	324.406	1.013	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NC[C@@]2(C)CCC(=O)N2)nn1	1328135850	HQUMKNPGIPWYOQ-OAHLLOKOSA-N	320.397	1.069	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=Cc1cc(C)ncn1	1324217776	VVSNQIKHXLFFGG-UHFFFAOYSA-N	314.345	1.713	50	20	DDGD	
CCOc1cccc2cc(C(C)=NNC(=O)C(=O)OC)oc12	1323497537	XRNSRCUJTUMCGC-UHFFFAOYSA-N	304.302	1.845	50	20	DDGD	
CCCc1n[nH]cc1C(=O)NNc1ccc2c(=O)[nH]ccc2c1	1322134530	WMHMMJKFWGEEEF-UHFFFAOYSA-N	311.345	1.961	50	20	DDGD	
CNc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccc(OC)cn1	1320531012	VGCVBLBPUHEREA-UHFFFAOYSA-N	317.305	1.797	50	20	DDGD	
COc1cc(C=NNC(=O)C2CCOCC2)cc2c1OCO2	1331362327	WECHAOTZRCZNCV-UHFFFAOYSA-N	306.318	1.301	50	20	DDGD	
CO[C@H]1CCC[C@@H]1C(=O)NNC(=O)COc1ccc(C)cc1	1335987216	RMJFKHFBYSMKIC-KBPBESRZSA-N	306.362	1.336	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CCCOCc1ccccc1	1251389670	QJVNDQVUUBSUFI-UHFFFAOYSA-N	309.435	1.887	50	20	DDGD	
CN(CC(=O)OC[C@]1(C)C[C@H]1Br)C(=O)C1CC1	1344034333	FSMTZQGDSABCOD-SKDRFNHKSA-N	304.184	1.572	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1F)c1ccc(F)cc1Br	1345642612	LVJSHQFAYMVVPX-VXNVDRBHSA-N	319.105	1.707	50	20	DDGD	
C=C(CC(C)C)C(=O)NNC(=O)[C@H]1COc2ccccc2O1	1350793393	GJAPOGPGOLQMLK-CQSZACIVSA-N	304.346	1.576	50	20	DDGD	
C[C@H]1CNCC[C@H]1NC(=O)NNc1ccc(C(=O)O)c(F)c1	1604815610	TTXHCIZSWOERGK-QPUJVOFHSA-N	310.329	1.148	50	20	DDGD	
C[C@H]1CC(NC(=O)NNc2ccc(CC(=O)O)cc2)C[C@H](C)O1	1604675337	DSUHUQQOBJRCRU-QWRGUYRKSA-N	321.377	1.896	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)NNc1cccc(C(=O)O)c1F	1609842955	UNNCRNOROODDBM-SCZZXKLOSA-N	308.309	1.972	50	20	DDGD	
N#C/C(=C\c1ccc(-c2nn[nH]n2)c(F)c1)C(=O)N1CCCC1	1609492649	RDGXEQMAAZNPCM-YRNVUSSQSA-N	312.308	1.535	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)[C@H]1C[C@H]1C(=O)O	1607564165	BLECJZYRXSHWBW-DTWKUNHWSA-N	313.151	1.921	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cc([N+](=O)[O-])ccc2F)nc1	1602383727	ZFBDZKRAZIAMOL-UHFFFAOYSA-N	320.236	1.584	50	20	DDGD	
CC(=O)N1CSC[C@H]1C(=O)NNc1cccc(C(=O)O)c1C	1603030921	WBVIAJUMIPOMCQ-LBPRGKRZSA-N	323.374	1.058	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccccc2CCC(=O)O)n1	1600182454	FYGGIYGRWSZXLY-UHFFFAOYSA-N	314.345	1.868	50	20	DDGD	
CC#CC(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1	1609059625	AYJQQALADOBZJW-UHFFFAOYSA-N	310.239	1.352	50	20	DDGD	
CCC1(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)CCOCC1	1549321402	SIBOVGMGHJFLIT-ZIAGYGMSSA-N	309.410	1.158	50	20	DDGD	
O=C(O)[C@H]1CCC[C@@H](C(=O)NNc2cnc3ccccc3n2)C1	1610741093	NIBHZPOBTWIYIJ-MNOVXSKESA-N	314.345	1.964	50	20	DDGD	
Cc1cccc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)c1C	1549319296	TVRLWJYDYJJEQZ-HZPDHXFCSA-N	301.390	1.617	50	20	DDGD	
Cc1cc(COCC(=O)NNc2cccc(C(=O)O)c2)on1	1610461896	RJJFWDBKZGRJSI-UHFFFAOYSA-N	305.290	1.341	50	20	DDGD	
CC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1C[C@H]1F)C2	1800073555	SASPEZAWDJYUGY-XALSLBCYSA-N	316.804	2.000	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@H]1C(=O)NCC(Cl)Cl	1553146431	ROQGAUSEHXBNPS-KCJUWKMLSA-N	306.193	1.808	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H]1C[C@]12CCCNC2	1579180784	RLWFEPCPLDGKNN-NHYWBVRUSA-N	306.318	1.899	50	20	DDGD	
N[C@@H](Cc1ccccc1)C(=O)NNc1nc(-c2cccnc2)no1	1574284903	ZSLKKKFLKYZITB-ZDUSSCGKSA-N	324.344	1.145	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@@H]2CC[C@H]2C(=O)O)cc1	1574382640	VWRBGGRMRYCSED-VXGBXAGGSA-N	322.386	1.345	50	20	DDGD	
CN[C@H](CC(C)(C)C)C(=O)NNC(=O)c1cccc(OC)c1O	1578589619	DNAPMKMMYDAKEB-LLVKDONJSA-N	323.393	1.186	50	20	DDGD	
Nc1ccc(Cl)c(C(=O)NNc2ncnc3[nH]cnc23)c1	1580447176	RPOLOLYEEJSEHE-UHFFFAOYSA-N	303.713	1.345	50	20	DDGD	
CC(=O)N1CCC(C(=O)NNc2cccc(C(=O)O)c2F)CC1	1589061109	NTIAVTWEWUJPHA-UHFFFAOYSA-N	323.324	1.226	50	20	DDGD	
C=C[C@@H]1OCCC[C@H]1NC(=O)NNc1ccc(F)c(C(=O)O)c1	1588913930	LNNNVGPLKIONDT-OLZOCXBDSA-N	323.324	1.884	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCNC1)c1ncc(Cl)cc1Cl	1580733436	UTSUFVKTWGXQGJ-ZETCQYMHSA-N	317.176	1.149	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)[C@H]2CCCS2)C1	1846719149	GWJRQHHRIZYOIJ-NXEZZACHSA-N	320.817	1.620	50	20	DDGD	
COCCOCCC(=O)NNc1ccc(C(=O)O)cc1F	1599251073	SRJVHBAELSEUHL-UHFFFAOYSA-N	300.286	1.020	50	20	DDGD	
CCOC1(C(=O)NNc2cccc(C(=O)O)c2C)CCOCC1	1596798347	KCROAAIEWFKWLO-UHFFFAOYSA-N	322.361	1.722	50	20	DDGD	
Cc1nccc(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)n1	1592416315	MPBLQUOMDXMMQK-UHFFFAOYSA-N	311.309	1.114	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1	1592813680	XJRXOAAPVFYZOG-UHFFFAOYSA-N	320.740	1.081	50	20	DDGD	
O=C(O)CCOc1ccc(C=NNC(=O)c2cc[nH]n2)cc1	1776091690	BMXKBNUDQMBELK-UHFFFAOYSA-N	302.290	1.027	50	20	DDGD	
O=C(NN=C1CC[C@@H](C(=O)O)c2ccccc21)c1ncon1	1776105877	IBJKWLHTDYWXGK-SNVBAGLBSA-N	300.274	1.166	50	20	DDGD	
O=C(COC(=O)c1ccccc1F)NNC(=O)c1cccs1	5117867	VRVGZQQTRVQIFV-UHFFFAOYSA-N	322.317	1.505	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CCn1c(C)csc1=O	15021581	BLPULZHZVGXTJS-UHFFFAOYSA-N	319.386	1.378	50	20	DDGD	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)NNC(C)=O)cc1	162139766	KVJHAKQFKQEZIG-UHFFFAOYSA-N	316.361	1.673	50	20	DDGD	
COC[C@@H](O)CNS(=O)(=O)c1ccc(CCCCl)cc1	160896356	JDRRPNMNAMIIMG-LBPRGKRZSA-N	321.826	1.144	50	20	DDGD	
O=C(NNc1ccccc1Br)c1cc[nH]c(=O)c1	153405175	QDFIVEQFIJMKGV-UHFFFAOYSA-N	308.135	1.894	50	20	DDGD	
COc1ccnc(NNC(=O)C[C@@H](O)c2cccc(F)c2)n1	154226203	MTYQUJNKKJJMOT-LLVKDONJSA-N	306.297	1.191	50	20	DDGD	
CN(NC(=O)[C@H]1CCCC12OCCO2)C(=O)OC(C)(C)C	495929190	MBHZXHIMWPOGDP-SNVBAGLBSA-N	300.355	1.428	50	20	DDGD	
CC(=O)NNC(=O)COc1ccc(Br)cc1Cl	504642	QVURYOXEXDGUSX-UHFFFAOYSA-N	321.558	1.649	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNC(=O)COc2ccc(F)cc2)c1	7961638	NWGGOGJIVBOTIY-UHFFFAOYSA-N	319.292	1.196	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc(-n2cccn2)cc1	8302279	CYDGNTGTTRTKLH-UHFFFAOYSA-N	317.418	1.780	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2cccnc2)cc1[N+](=O)[O-]	103425248	NTKZMMCKIQKOKN-UHFFFAOYSA-N	314.301	1.302	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)NCc1ccccc1	175146115	CIZVPGCHRQHCIS-UHFFFAOYSA-N	323.356	1.407	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)CNc2ccccc2)n[nH]1	104830992	XOKLTZKTPKIWNX-UHFFFAOYSA-N	301.350	1.406	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H]1CCCN1C(C)=O)c1ccccc1	110963306	IYMBPBHRYZEFIV-LSDHHAIUSA-N	317.389	1.339	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc(NC(C)=O)cc1	55617649	YFCXHDAYOMPZEN-VIFPVBQESA-N	313.379	1.001	50	20	DDGD	
Cc1ccc(S(N)(=O)=O)c(C(=O)NNc2ccc(F)cc2)c1	179288059	DPUXYZKOZJRVIC-UHFFFAOYSA-N	323.349	1.538	50	20	DDGD	
CCCCNC(=O)NNC(=O)CSCc1c(C)noc1C	68266457	LTWDKBDXNJCPTH-UHFFFAOYSA-N	314.411	1.655	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)NC1CC1	64900772	NTURWBUEQQWSCJ-UHFFFAOYSA-N	303.278	1.183	50	20	DDGD	
CSCc1noc(CCC(=O)NNc2cc(C)ncn2)n1	179011480	FQSKUMRQQQJBMO-UHFFFAOYSA-N	308.367	1.107	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)CCc1ccc(OC)cc1	69358954	HFSMNRNMWZIUNK-ZDUSSCGKSA-N	320.389	1.756	50	20	DDGD	
Cc1nnc(NNC(=O)c2ccc(OCC(C)C)cc2)nc1O	29066703	RVUDWCSYMODLJZ-UHFFFAOYSA-N	317.349	1.677	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@@H]1CCn2ccnc2C1	178838523	HVWULNPRCLZXNL-SNVBAGLBSA-N	301.306	1.497	50	20	DDGD	
O=C(NNS(=O)(=O)c1c(F)cccc1F)c1ccccc1	21312228	MOUAUXWQRLZJQW-UHFFFAOYSA-N	312.297	1.588	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cnc3ccccc3n2)n1	174481604	XEIILNKRBKHHBV-UHFFFAOYSA-N	310.317	1.494	50	20	DDGD	
CC(C)[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2)CCS1	173857260	QDICSXQVVAMZIX-AWEZNQCLSA-N	321.446	1.521	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cccc(CC#N)c2)nc1	179788444	JXDRFJMRESCQRC-UHFFFAOYSA-N	310.313	1.691	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCOCc2ccccc2)o1	177302869	PGSMVEJZZXZKNF-UHFFFAOYSA-N	317.345	1.749	50	20	DDGD	
Cc1cccc(NNC(=O)Cc2ccc(-n3cnnn3)cc2)c1	120927158	ZBPFGNLTCCTHPN-UHFFFAOYSA-N	308.345	1.657	50	20	DDGD	
Cc1ccc(C(=O)NN(C)C(N)=O)cc1Oc1ccncc1	182646058	BKJJWOXOEHUMLT-UHFFFAOYSA-N	300.318	1.838	50	20	DDGD	
CSc1c(F)cc(NC(=O)NNC(=O)CN(C)C)cc1F	124338202	BVFVYYCZOGTBDS-UHFFFAOYSA-N	318.349	1.401	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2cccc3ccccc23)ncn1	127223214	UFYLSUXSFKAOKG-UHFFFAOYSA-N	320.352	1.942	50	20	DDGD	
Cc1ccc(O)c(C(=O)NNC(=O)c2ccc(Cl)nc2)c1	77248497	BGPDINFEVVQTGL-UHFFFAOYSA-N	305.721	1.824	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@H](C)c2nc(C)cs2)n1	186806485	SBFLTDQWSZYURM-MRVPVSSYSA-N	322.394	1.680	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)NCC(F)(F)F)c1ccccc1	124606977	GZCYZIPTMOZRDV-CLFYSBASSA-N	301.268	1.983	50	20	DDGD	
O=C(COC1CCCC1)NNc1nc(-c2ccncc2)no1	76453112	VPIFMWRLNYZCFW-UHFFFAOYSA-N	303.322	1.534	50	20	DDGD	
COC(=O)NNC(=O)c1c[nH]nc1-c1ccc(Cl)s1	188189699	NBIOABRTVOSDKL-UHFFFAOYSA-N	300.727	1.792	50	20	DDGD	
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NNc1cc(Cl)ccn1	180897748	RHAVQGNGQSQUAR-BDAKNGLRSA-N	313.789	1.664	50	20	DDGD	
C[C@H](Oc1ccccc1Cl)C(=O)NNC(=O)[C@@H]1CCCO1	32261344	HIYGGZSLRSZXCF-CABZTGNLSA-N	312.753	1.434	50	20	DDGD	
Cn1c(C(=O)NNC(=O)c2cc3ccccc3o2)cccc1=O	127096687	YJOGIIZELIYTFA-UHFFFAOYSA-N	311.297	1.206	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(F)c(F)c(F)c2F)n1	125353978	BINQIWCCHMDYFA-UHFFFAOYSA-N	316.214	1.799	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)cc1	126978779	BGRNCNCEXWOKOT-SNVBAGLBSA-N	315.295	1.849	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)NC(=O)CC2	186099960	RLQZOZRUEYQCPF-SECBINFHSA-N	304.350	1.770	50	20	DDGD	
Cc1ccnc(NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1	184257672	XUBULJGSUZOGRW-UHFFFAOYSA-N	315.289	1.765	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc2oc(=O)ccc2c1	184631567	LYNAAGCDGFOAGU-VIFPVBQESA-N	303.318	1.992	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@@H](C)Cn1cccn1	46464555	SJFDZKAYLXESCW-LBPRGKRZSA-N	316.365	1.616	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1	134706462	QWLUOZYPGZFANL-UHFFFAOYSA-N	300.702	1.601	50	20	DDGD	
Cc1noc2ncc(C(=O)NNC(=O)NC3CCCCC3)cc12	193047088	LZWNQJMNFBSQHN-UHFFFAOYSA-N	317.349	1.808	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)N[C@H](C)CC)cc1OC	42844300	NLNPUJNDLHDRLA-SNVBAGLBSA-N	309.366	1.836	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1nc(Br)ccc1O	194574889	FMERAKVKVFZWQP-VOTSOKGWSA-N	312.123	1.932	50	20	DDGD	
Cc1cnn(CCC(=O)NNC(=O)c2ccc(Cl)cc2)c1	80208950	LONUEGGWDCVUCN-UHFFFAOYSA-N	306.753	1.696	50	20	DDGD	
COc1cccc(C)c1NC(=O)NNC(=O)Cc1ccncc1	195035719	GWNLXGKOKYBFAJ-UHFFFAOYSA-N	314.345	1.794	50	20	DDGD	
O=C(/C=C/c1ccc(Cl)nc1)NNc1nc2ccccn2n1	191894250	JGHFFIFLWMPFKM-FNORWQNLSA-N	314.736	1.934	50	20	DDGD	
O=C(CCC1CCNCC1)NNc1nc(-c2ccncc2)no1	237963271	FSPZVHIGVGSXEI-UHFFFAOYSA-N	316.365	1.355	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C1CCSCC1	264842776	KIQRVUHDFYNNBQ-ZDUSSCGKSA-N	322.386	1.117	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cccc(N2CCOC2=O)c1	264817620	WUVKEVWTCUHUOX-UHFFFAOYSA-N	303.318	1.204	50	20	DDGD	
CO[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ccccc1C	266576026	LFCGPEQZWDKBML-UONOGXRCSA-N	305.378	1.897	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cn(C)nc2C(C)C)n1	266884810	CWXBUAKBBHLGGM-UHFFFAOYSA-N	304.354	1.407	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1nc(CC(=O)OCC)cs1	269448295	BOHOQZDZODSMCB-VQHVLOKHSA-N	309.347	1.631	50	20	DDGD	
O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NNC(=O)C1CC1	267047709	JAXGOJSXUWZMGI-NSHDSACASA-N	317.172	1.974	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)COc1ccc(C)cc1)C(C)C	266783448	YKSANBKWKZBNFT-CQSZACIVSA-N	323.393	1.375	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)[C@H]1CC1(Cl)Cl	264555407	PPWLHRUVOJTPSM-SSDOTTSWSA-N	319.144	1.112	50	20	DDGD	
C[C@@H]1CC[C@@H](CCC(=O)NNC(=O)COc2ccccc2F)O1	266541928	GVNMBEZUOOADRA-NEPJUHHUSA-N	324.352	1.700	50	20	DDGD	
O=C(NNc1cnccn1)c1ccc(OC2CCOCC2)cc1	266501076	ZEGOMPAHIJEMKG-UHFFFAOYSA-N	314.345	1.791	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCCOC1CCCCC1	267027979	KJASZTBZCMEMND-UHFFFAOYSA-N	320.393	1.304	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@H]2CC23CCOCC3)c1	365765026	NZKHUTDIXJSPRD-CQSZACIVSA-N	317.389	1.330	50	20	DDGD	
C[C@H]1CCC[C@H]1CC(=O)NNC(=O)COc1ccccc1O	274455831	NOFGYUJSPIZOEW-RYUDHWBXSA-N	306.362	1.745	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1[C@H]2CCC[C@H]1CC2	361773619	IJOASAOMRJZXBJ-HOTGVXAUSA-N	315.417	1.702	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2occ3c2CCOC3)cc1	367555052	YDIUMRRJACDKBQ-UHFFFAOYSA-N	311.297	1.299	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCO[C@@H](C)CC(C)C)n1	279758624	DWYATSIJBGRILO-ZDUSSCGKSA-N	307.394	1.992	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)CSc1ccccc1O	270745814	YVKFHDAPQRVJGG-UHFFFAOYSA-N	324.402	1.615	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc(O[C@H]2CCOC2)cc1	279003724	JZWUKZFTGIYVRJ-AWEZNQCLSA-N	304.346	1.415	50	20	DDGD	
COCCCNC(=O)NNC(=O)C[C@H]1OCCc2ccccc21	363224423	YCHCBMXNWKUPEC-CQSZACIVSA-N	321.377	1.057	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)C(=O)N(C)CC2	273374603	BDIAVXYZCKDYCG-SNVBAGLBSA-N	318.377	1.514	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)OC(C)(C)C)nn1CCC#N	274220313	SGSUDWGOSCUKGV-UHFFFAOYSA-N	308.342	1.666	50	20	DDGD	
CCc1n[nH]c(C(=O)NNC(=O)C(C)(C)C)c1Br	279018664	NUMXKNKWAOAWDP-UHFFFAOYSA-N	317.187	1.542	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc([N+](=O)[O-])c1)c1ncn(C)n1	275571095	PHPGIIIBDNZBQP-QMMMGPOBSA-N	305.298	1.111	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@@H]2COc3ccccc3C2)n1	370968153	KGYZWCAWZHVRCL-LBPRGKRZSA-N	313.361	1.237	50	20	DDGD	
COCC1(C(=O)NNC(=O)CSc2ccccc2O)CCC1	285805398	YLQNVXJAPLMMEX-UHFFFAOYSA-N	324.402	1.448	50	20	DDGD	
CSSCCNC(=O)N[C@H]1CCO[C@@]2(CCOC2)C1	376876901	XFBBRLVUBHEMPH-JQWIXIFHSA-N	306.453	1.635	50	20	DDGD	
CC(=O)NNC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1	285996990	GBJHOVHRRKXYGU-UHFFFAOYSA-N	318.782	1.061	50	20	DDGD	
C[C@@H](CN(C)C)NC(=O)NNC(=O)c1ccc2ccccc2n1	287992179	KQAZZHYDELKSCZ-NSHDSACASA-N	315.377	1.129	50	20	DDGD	
CC(C)c1nn(C)cc1NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	296981795	DVPHQIBKYJMJBG-ONGXEEELSA-N	309.370	1.264	50	20	DDGD	
CC(C)n1ncc2cc(C(=O)NNC(=O)CC3CC3)cnc21	294058089	GDGXWCQPDZYSPL-UHFFFAOYSA-N	301.350	1.573	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CCCCCC#N)c1O	805169168	YGGNVKNYIIPDIM-UHFFFAOYSA-N	305.334	1.636	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N(C)C)c(C)n1Cc1ccccn1	299349295	GLKVSUKZMYFLNV-UHFFFAOYSA-N	315.377	1.464	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ncoc2C2CC2)cc1	292648011	MDDQTOHSVOUHDT-UHFFFAOYSA-N	315.329	1.700	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc2nnnn2c1	805372979	IVYMTJJMNRZAHM-UHFFFAOYSA-N	313.277	1.098	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(-n2ccnc2)nn1)C1CCCC1	804952404	OGFBBQYMVSMOOM-NSHDSACASA-N	300.366	1.932	50	20	DDGD	
COc1ccc(F)cc1NC(=O)C(=O)NNc1cccc(F)n1	807391857	NDYOZWIJMFGXBD-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
CNC(=O)Cc1ccc(NC(=O)NNc2cccc(F)n2)cc1	806187473	DVECGSMQXOIOCA-UHFFFAOYSA-N	317.324	1.658	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)c1cccc(N(C)C)c1)C1CC1	290961738	NMJOCPHNYSYBRQ-MRXNPFEDSA-N	305.378	1.329	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1C(=O)NNC(=O)c1ccccn1	298700890	HCMSOLJTMIEMPP-UHFFFAOYSA-N	301.350	1.187	50	20	DDGD	
O=C(O)CCNC(=O)NNC(=O)c1c(Cl)cccc1Cl	819492593	QGMBNTRNSMDZSL-UHFFFAOYSA-N	320.132	1.412	50	20	DDGD	
CC(=NNC(=O)COc1cc(C)ccc1C)c1cc(CO)on1	812223664	HHZVDNIXKNYXGQ-UHFFFAOYSA-N	317.345	1.703	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=C1CCCC[C@@H]1N1CCCCC1	814953466	DOHNIVFDACDEGT-HNNXBMFYSA-N	303.410	1.853	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1	819122894	KWEMEFPDUBLBGA-KGLIPLIRSA-N	321.421	1.363	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)C1CC(c2ccc(F)cc2)C1	815475635	SNQAPNMGAHEDMT-UHFFFAOYSA-N	316.336	1.433	50	20	DDGD	
O=C(NNc1ncncc1F)C(=O)c1ccc(Cl)s1	817080464	PPLDIZIFNWZUQG-UHFFFAOYSA-N	300.702	1.657	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CCC[C@@H](CC(=O)O)C1	818953975	HIXIGKNQHHSIRN-LBPRGKRZSA-N	319.361	1.536	50	20	DDGD	
CS(=O)(=O)CC1CCC(=NNC(=O)NCC2CC2)CC1	814818382	PNQUZRYPTHPMIS-UHFFFAOYSA-N	301.412	1.286	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNc1nc(-c2ccncc2)no1	812493264	CLEYKZRFLBWQGM-UWVGGRQHSA-N	305.338	1.493	50	20	DDGD	
O=C(NN=C1CCCc2occc21)c1ccc(-n2cnnn2)cc1	814755432	ADQRIPUCFQMOGU-UHFFFAOYSA-N	322.328	1.726	50	20	DDGD	
C[C@H](COCC(F)(F)F)NC(=O)NNC(=O)CC(C)(C)C	728596273	CIBINFXIYRXSGS-MRVPVSSYSA-N	313.320	1.720	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccccc1[S@@](=O)C(F)(F)F	823384789	USPILTZLDIAXCU-IJSAXESFSA-N	324.324	1.271	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cccc(C(=O)N(C)CC)c1	729344863	HCDMNNSDPLNUKF-UHFFFAOYSA-N	306.366	1.133	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H](C)c2nc[nH]n2)cc(C#N)n1C	490811459	FUTFRCOJNZHESD-JIGMTCFASA-N	309.333	1.108	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)CC1(O)CCC1	822205490	WRRPOSUGQOEELT-UHFFFAOYSA-N	301.346	1.163	50	20	DDGD	
CCO[C@H](CCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)C(C)C	826120822	CXYLTMZJMCVXHS-JHJVBQTASA-N	315.414	1.193	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C[C@@H](C)C2CC2)cn1	729691579	GLVWSPGPZUSBEL-SECBINFHSA-N	308.407	1.844	50	20	DDGD	
CN(NC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1)C1CC1	824302848	HNHXHDANDOSHCX-UHFFFAOYSA-N	317.798	1.874	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(-c2nnco2)ccc1C	494659006	KXBONYBFBUMHMQ-UHFFFAOYSA-N	305.294	1.828	50	20	DDGD	
CCOC(=O)Nc1scnc1C(=O)NNc1cnccn1	496661338	IRMOZVBKGLJMON-UHFFFAOYSA-N	308.323	1.258	50	20	DDGD	
CCN(CCO)NC(=O)[C@H](C)c1ccc(Br)cc1	823869141	AXEWUKJSYKXFKV-SNVBAGLBSA-N	315.211	1.898	50	20	DDGD	
CC(C)c1ccc(CCNC(=O)c2ccc(B(O)O)cc2)cc1	584923795	CQHGELWZXGVQAZ-UHFFFAOYSA-N	311.190	1.462	50	20	DDGD	
CN1CCN(c2ncc(C=NNC(=O)OC(C)(C)C)cn2)CC1	494108428	VNCCEVADHNJDTH-UHFFFAOYSA-N	320.397	1.087	50	20	DDGD	
CCCCc1ccc(NC(=S)NNC(=O)CCC(N)=O)cc1	905108010	KAPFAGVZGXAQOU-UHFFFAOYSA-N	322.434	1.612	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O	490975741	PRMJNKWTBWETDM-BMSUMIBZSA-N	317.320	1.491	50	20	DDGD	
Cc1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cc1C(F)(F)F	585068213	YTRIPIQZJXDJQI-SNVBAGLBSA-N	301.073	1.703	50	20	DDGD	
CCN(CCO)NC(=O)Cc1csc(-n2c(C)ccc2C)n1	823846232	GFBQJPQOFOEJJO-UHFFFAOYSA-N	322.434	1.439	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C1CCC1)[C@@H](C)NC(=O)OC(C)(C)C	496180893	KGFPIEGICIMUNT-VHSXEESVSA-N	313.398	1.483	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NNC(=O)NC1CCCC1	900412780	KQKIKUJYYXRUJE-ZANVPECISA-N	305.382	1.349	50	20	DDGD	
COc1ccc(NNC(=O)C(C)(C)S(=O)(=O)C2CC2)cc1	839650508	SHIVWVLMDFMFKB-UHFFFAOYSA-N	312.391	1.494	50	20	DDGD	
Cc1cccc([C@@H]2C[C@@H]2[C@@H](C)NC(=O)c2ccc(B(O)O)cc2)c1	584934052	OCULVRORUJWARE-XWIAVFTESA-N	323.201	1.597	50	20	DDGD	
O=C(NCC[C@H]1C[C@H]2CC[C@H]1O2)NNc1cncc(Cl)n1	838752957	VGSOAHYILMTYNF-IVZWLZJFSA-N	311.773	1.714	50	20	DDGD	
CC(C)C[C@@H]1C[C@H]1NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	838755294	WNGDVMZDKNZLFY-DGCLKSJQSA-N	320.349	1.973	50	20	DDGD	
CON1CCC(=NNC(=O)c2cc(Br)c[nH]2)CC1	834933843	OMHKVMSWCVNIDC-UHFFFAOYSA-N	315.171	1.520	50	20	DDGD	
C[C@@H]1O[C@H](C)CC1=NNC(=O)Cn1nnc(-c2ccccc2)n1	834921104	PADMDHVFELSVBE-MNOVXSKESA-N	314.349	1.010	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@]2(C)C[C@H]2Br)C[C@@H](C)S1(=O)=O	908298479	GSAUZEIPECQYPT-TURQNECASA-N	324.240	1.194	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=C1CCOC2(CCC2)C1	834952563	UGCSZZPYVMYGSZ-UHFFFAOYSA-N	321.402	1.683	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NNC(=O)C1CCC1	736076691	SCFIBNASOKPYRX-AAEUAGOBSA-N	324.425	1.154	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC[C@@H]2CCC=CO2)c(F)c1	838565593	LLPVXRCPJXGTHS-NSHDSACASA-N	323.324	1.931	50	20	DDGD	
CC(C)c1nn(C)c2sc(C(=O)N3CC[C@H](B(O)O)C3)cc12	585068152	ZISJURNWRAFGEC-VIFPVBQESA-N	321.211	1.447	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCC(C)(C)c1ccccc1	731284406	QPIKBHFOAZYVPI-UHFFFAOYSA-N	307.394	1.721	50	20	DDGD	
CCn1nc(C)c(COC(=O)/C(C#N)=C\c2ccc(O)cc2)n1	837561353	GQRDFWTZGHPSLK-JYRVWZFOSA-N	312.329	1.962	50	20	DDGD	
CCc1ncncc1C(=O)NNC(=O)C(C)(C)c1ccccc1	731175522	ZEPRCZYRVMMXTJ-UHFFFAOYSA-N	312.373	1.778	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)NCCC(=O)O)c1C	739841234	ZNVQCZLCXUWRCU-ZROIWOOFSA-N	319.361	1.249	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCCCC1(F)F	837825623	SFAKTRPHNPSPAT-IUCAKERBSA-N	306.309	1.301	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NO[C@H](CO)C(C)C	836893860	DBGARAOYWHXTLN-LLVKDONJSA-N	303.790	1.417	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCSC12CCCCC2	584987400	OBNKYNLSSYYKSB-UHFFFAOYSA-N	305.208	1.216	50	20	DDGD	
COC[C@](C)(O)C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	836822686	MCYOBJLNFRUVMS-NSHDSACASA-N	303.702	1.089	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1C1CCCC1)[C@H]1CCCCO1	833246705	PVRQWKMBWPDZCS-ZIAGYGMSSA-N	309.410	1.110	50	20	DDGD	
Cc1ccccc1[C@H](NC(=O)c1ccc(B(O)O)cc1)C(C)C	584944579	LNSZLTZTHSYPMY-QGZVFWFLSA-N	311.190	1.802	50	20	DDGD	
CCOC(=O)N1CCC[C@@H]([C@@H](C)NS(=O)(=O)CCl)C1	831154213	XYCKHFJZWYBWJU-NXEZZACHSA-N	312.819	1.359	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)COc2ccc(C#N)cc2)n1	834921582	HNYZSJKZWOQTFU-UHFFFAOYSA-N	312.333	1.007	50	20	DDGD	
COC[C@H](C)CNC(=O)NNC(=O)Cc1c[nH]c2ccccc12	737065627	VQHSNEXPRFXFBO-LLVKDONJSA-N	318.377	1.323	50	20	DDGD	
O=C(NCCC1CCC1)NNC(=O)Nc1ccc2c(c1)OCO2	836354417	YPCCNAMCRBAOQD-UHFFFAOYSA-N	320.349	1.941	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)CCc2ccccc2O)n1	834955453	MMNPAJPSJJSAAE-UHFFFAOYSA-N	301.350	1.395	50	20	DDGD	
C[C@]1(C(=O)N2CC[C@H](c3cc(O)n[nH]3)C2)C[C@@H]1Br	911854022	HJMJBWCBMJHNBG-DXBFQKDVSA-N	314.183	1.605	50	20	DDGD	
C[C@]1(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)C[C@H]1Br	912058342	JBBPDXWMLKXNQB-OPDFLTKYSA-N	310.191	1.934	50	20	DDGD	
CCN(CCO)c1ccc(C=NNC(=O)NC(C)C)c(C)c1	745009373	MXEUNYUGHIAUKM-UHFFFAOYSA-N	306.410	1.855	50	20	DDGD	
COc1cccc(CNC(=O)NNC(=O)CC(F)(F)F)c1	918000319	KYGFOCBCBUMVSA-UHFFFAOYSA-N	305.256	1.478	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCc2cc(C)on2)cc1	844919563	GCRLURJUKIPAPC-UHFFFAOYSA-N	318.333	1.525	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	841435454	UBNRWKUTBYAIMS-CQSZACIVSA-N	322.409	1.966	50	20	DDGD	
COC(=O)/C=C\c1ccc(C=NNC(=O)[C@@H]2CCCCO2)o1	848412496	SPINUEAVJKREEY-RWDCTNOASA-N	306.318	1.485	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCC2(Br)CC2)cn1	910222235	PYGWXZPHZUTTEC-ONNFQVAWSA-N	309.167	1.371	50	20	DDGD	
C=C[C@H](C)ONC(=O)NNC(=O)CSc1ccc(C)cc1	845640164	UTSXCLPQPWPUHB-NSHDSACASA-N	309.391	1.924	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C	910162294	FTWZHZHSBGMXLF-RYUDHWBXSA-N	315.414	1.120	50	20	DDGD	
CCn1nncc1C=NNC(=O)[C@@H](C)Oc1ccc(F)cc1	841612126	YYBGYYCJYGBCMG-SNVBAGLBSA-N	305.313	1.355	50	20	DDGD	
CCOc1cccc(C(C)=NNC(=O)CN2CCCC2=O)c1	743526291	QJJRTSYFVLFNDP-UHFFFAOYSA-N	303.362	1.548	50	20	DDGD	
O=C(NNc1cccc(F)c1F)N[C@H]1CNCCC1(F)F	842003745	KAQAJFRBRGKPLB-VIFPVBQESA-N	306.263	1.588	50	20	DDGD	
CN(C)CC1(C(=O)NNc2cc(O)nc3ncccc23)CC1	913988626	LEOZUGWYBSCUHG-UHFFFAOYSA-N	301.350	1.120	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc(C(N)=O)s1	749403077	FLNOHHXZVNEUGU-UHFFFAOYSA-N	303.343	1.230	50	20	DDGD	
O=C(CNc1ccccc1F)NN=Cc1cccc(O)c1O	915919363	VEFVIHQRZOLAHM-UHFFFAOYSA-N	303.293	1.799	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c(C)[nH]1	914747961	YBXUYFUAPYZFHR-CQSZACIVSA-N	315.329	1.233	50	20	DDGD	
CCc1ccc(-c2cc(C(=O)NN(CC)CCO)no2)cc1	911439757	OMDFMJDJDCCBNH-UHFFFAOYSA-N	303.362	1.863	50	20	DDGD	
O=C(NNc1cc(O)nc2ncccc12)[C@H]1C[C@]12CCOC2	913991389	QZRMKDJPVDKHSI-BMIGLBTASA-N	300.318	1.205	50	20	DDGD	
C[C@H](OC1CCCCCC1)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843656151	XNVKROWQFGMKOW-OBJOEFQTSA-N	312.410	1.687	50	20	DDGD	
COc1cc(Cl)cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	843662991	VSSDTHPMRZDGNW-UFBFGSQYSA-N	312.753	1.535	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(F)c(F)c1F	843651754	FLAYXCKICGOOLD-NKWVEPMBSA-N	302.252	1.290	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1c(F)cc(F)cc1F	843651428	MSDZPECYFPPEDA-HTRCEHHLSA-N	302.252	1.290	50	20	DDGD	
CS(=O)(=O)c1ccc(C=NNC(=O)NC2CCCC2)cc1	743531086	DIGUMWPZAYOUNO-UHFFFAOYSA-N	309.391	1.666	50	20	DDGD	
O=C(NN=Cc1c(F)cccc1N1CCCC1)N1CCOCC1	745601950	AHYOACXQQVQFMA-UHFFFAOYSA-N	320.368	1.802	50	20	DDGD	
Cc1cccc(C)c1CCNC(=O)NNC(=O)c1ncccn1	841583594	XMFCSQHWSBOJOW-UHFFFAOYSA-N	313.361	1.280	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H]2CCC[C@@H](N)C2)cc1	841981499	DEECJJCPOIQGFP-ZIAGYGMSSA-N	304.394	1.463	50	20	DDGD	
CN(C)c1nccc(NNC(=O)CN2CCc3ccccc32)n1	740105076	WKDQGVSXZWZXMP-UHFFFAOYSA-N	312.377	1.048	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(-c2ccco2)on1	843971290	BVBLLEMYZBLFND-BDAKNGLRSA-N	305.290	1.121	50	20	DDGD	
Cn1cccc1C(=O)NNS(=O)(=O)[C@@H]1C[C@H]1c1ccccc1	840911183	SGJFUULYTPASLA-GXTWGEPZSA-N	319.386	1.145	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccnn1CC(C)C	843754755	PHRCYHUYCWKBRC-UHFFFAOYSA-N	300.362	1.922	50	20	DDGD	
O=C(COC(=O)[C@@H]1C[C@H]1C1CCC1)NNC(=O)c1cccs1	845223720	MSPJFUMECBKCGR-WDEREUQCSA-N	322.386	1.489	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)C1CCS(=O)(=O)CC1	855366382	DHECSOQXTLBVCM-UHFFFAOYSA-N	300.355	1.402	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21	854377478	QFZULRYITOHRAY-WDNDVIMCSA-N	302.378	1.873	50	20	DDGD	
CCCC[C@@](C)(F)C(=O)NN(C)C(=S)NCCCOC	854285573	NMQSCTQHFCSMFO-CYBMUJFWSA-N	307.435	1.779	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H](C)COCC2CC2)c1	858588479	HDTDEYAGJQNJHN-SNVBAGLBSA-N	311.407	1.816	50	20	DDGD	
O=C(CC[C@@H]1CC1(Cl)Cl)NNC(=O)c1cccc(F)n1	856428387	VXAZEWUYGFKCGD-SSDOTTSWSA-N	320.151	1.956	50	20	DDGD	
O=C(C[C@@H](O)c1cccc(F)c1)NNC(=O)OCC(F)(F)F	856022208	UPAOYKUVUKAKEI-SECBINFHSA-N	324.230	1.569	50	20	DDGD	
CCc1nc2c(s1)C(=NNC(=O)c1cnccn1)CCC2	756826011	RZKFVGOOILEGIA-UHFFFAOYSA-N	301.375	1.966	50	20	DDGD	
Cn1cc(C=NNC(=O)c2ccncc2)c(-c2cccnc2)n1	920356208	IPXZRQDOJHAIDD-UHFFFAOYSA-N	306.329	1.641	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NC[C@]1(C)C[C@H]1Br	857384950	CILAKDQUTUZTAM-SKDRFNHKSA-N	305.216	1.438	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCCN2C(C)C)cc1	929289196	MLSVSMXXJCLTSJ-OAHLLOKOSA-N	319.405	1.394	50	20	DDGD	
NCCCCCC(=O)NNC(=O)Nc1ccc2c(c1)OCCO2	857765490	AVMUFBZBDVMQEE-UHFFFAOYSA-N	322.365	1.130	50	20	DDGD	
CCCNC(=O)NN=Cc1cc(OC)c(OC)cc1[N+](=O)[O-]	920989241	IMZYMGHTTJNQHU-UHFFFAOYSA-N	310.310	1.655	50	20	DDGD	
Cc1ccc(CO[C@H](C)C(=O)NNC(=O)c2cnn(C)c2)cc1	859447849	XIAZSRHDDOJRCS-GFCCVEGCSA-N	316.361	1.095	50	20	DDGD	
C[C@@]1(CNC(=O)NCCCN2CCCC2)C[C@H]1Br	856717773	FSWYGBXOISGTIM-YPMHNXCESA-N	318.259	1.945	50	20	DDGD	
C[C@@](CO)(NC(=O)NC[C@@]1(C)C[C@H]1Br)C1CC1	856955811	ZKOHSRMAYMCTSB-JLLWLGSASA-N	305.216	1.620	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NC[C@@H](CO)CC1CC1	855915546	GDYUHQNAINNZTR-QDECMSLZSA-N	300.358	1.824	50	20	DDGD	
CCS(=O)(=O)N[C@@H](C)C(=O)NNc1ccc(C)cc1Cl	854843546	ROWMOTGDFPBZJJ-VIFPVBQESA-N	319.814	1.419	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)OCC(F)(F)F	856020803	UTXAGGQOTVNITK-UHFFFAOYSA-N	316.239	1.356	50	20	DDGD	
C[C@H](NC(=O)NNc1cc(F)cc(Cl)c1)c1ncnn1C	854017539	ODVWQOLGMKGHKU-ZETCQYMHSA-N	312.736	1.995	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)C1(C(=O)C2CC2)CC1	855627155	WRRHMDABLLGMFZ-UHFFFAOYSA-N	307.281	1.936	50	20	DDGD	
CC(C)(C)c1n[nH]cc1C(=O)NNC(=O)c1cccc(Cl)n1	857324661	JRTAYMDTSUCIQH-UHFFFAOYSA-N	321.768	1.830	50	20	DDGD	
CCCC[C@@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)C(C)C	857125592	SRMWRVILXGYYBS-SNVBAGLBSA-N	320.397	1.974	50	20	DDGD	
CCCOc1ccc(NC(=O)NNC(=O)COC)cc1Cl	756089194	KJAYDXBZMYFZSC-UHFFFAOYSA-N	315.757	1.928	50	20	DDGD	
O=C(NN=C[C@@H]1CCC[C@H](C(F)(F)F)C1)C(=O)NC1CC1	853282897	VJMANMLCNWBZEA-BDAKNGLRSA-N	305.300	1.736	50	20	DDGD	
CN1CCC[C@@H](NC(=O)NNc2cc(F)cc(Cl)c2)C1=O	853820399	DUSIABVFRSONSI-LLVKDONJSA-N	314.748	1.726	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1cnn(-c2ccccc2)n1	757833719	ZVDRTKUUOUHPQW-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cnn(C3CCC3)c2)n1	933984396	BJBIAKAJRAEQLZ-UHFFFAOYSA-N	302.338	1.472	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)[C@H]1CCCN(CC(F)F)C1	868819080	OEDVVMVNCFZFBA-QMMMGPOBSA-N	320.290	1.780	50	20	DDGD	
C[C@@H]1C[C@@H](C)N(S(=O)(=O)CC(C)(C)CCl)C[C@@H]1CN	866772409	DHMUNSZEQDMAGL-UTUOFQBUSA-N	310.891	1.886	50	20	DDGD	
CC(=NNC(=O)[C@H]1COc2ccccc2O1)c1ccnn1C	765992627	DUCOOVFQKNTPLQ-CQSZACIVSA-N	300.318	1.100	50	20	DDGD	
CCc1cccnc1C(=O)NNC(=O)CNc1ccc(C)cc1	767148819	YCXRLAFFGUBLTR-UHFFFAOYSA-N	312.373	1.826	50	20	DDGD	
CC(=O)NNC(=O)Nc1cnc(C)c(Br)c1C	932780603	SVGRYSGIJJCWKY-UHFFFAOYSA-N	301.144	1.634	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2cc(Cl)ccc2Cl)N1	863148322	ZFXCRPFVSHSABD-SNVBAGLBSA-N	300.145	1.722	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CCCc2nc(C)no2)c1	862475669	SLJWGFFXSQIMIS-UHFFFAOYSA-N	308.363	1.532	50	20	DDGD	
C[C@@H](CNC(=O)[C@@H](Br)C(C)(C)C)S(C)(=O)=O	768316046	AEGMHVUWFGBJQS-JGVFFNPUSA-N	314.245	1.345	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCN2C(=O)CC[C@@H]2C1	766046527	IBSHZGWHIMBDBN-GFCCVEGCSA-N	324.812	1.186	50	20	DDGD	
O=C(CN1CC[C@H](C(F)(F)F)C1)NNC(=O)c1cccs1	761053741	QFOKRHQXKLWOSE-QMMMGPOBSA-N	321.324	1.393	50	20	DDGD	
C[C@@H](NNC(=O)Cc1ccc2c(c1)OCCO2)C(F)(F)F	862304271	LZOWEBJEBVNUIG-MRVPVSSYSA-N	304.268	1.572	50	20	DDGD	
C[C@]1(CNC(=O)c2ccnc3ccnn23)C[C@H]1Br	862258082	MONSYVLPQHHRQU-BXKDBHETSA-N	309.167	1.633	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)[C@@H](CC)c2ccccc2)nn1	766451565	GRFSGQZIFAGFPR-ZDUSSCGKSA-N	315.377	1.643	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)[C@H]1CCSC1	762179449	QKTVAVFDXDJOTJ-LBPRGKRZSA-N	303.387	1.542	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C2CC(c3cccc(Cl)c3)C2)N1	863147297	CEQOHJVVWQASLT-JLOHTSLTSA-N	305.765	1.968	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2c(F)ccc(F)c2Cl)N1	863151875	WZLWIMQMMRLUQO-VIFPVBQESA-N	301.680	1.347	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCSC1	761783894	GTHUWJUXNFCHQY-LLVKDONJSA-N	324.402	1.365	50	20	DDGD	
COc1cc(C#N)ccc1NC(=O)NNC(=O)c1ccccn1	766252726	VSLROMSRIPOAFX-UHFFFAOYSA-N	311.301	1.428	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2C[C@H](C)[C@H](O)C2)cc1	769126767	JEOIFXJDRKOMLS-CLFNKMITSA-N	300.358	1.831	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNC(=O)c1ccccc1Cl	1119525046	KKYSCUKLVRTWIO-ZDUSSCGKSA-N	305.765	1.199	50	20	DDGD	
CSc1cc(CNC(=O)NNC(=O)c2ccc(C)o2)ccn1	772102754	JPIXMLTVALLMCQ-UHFFFAOYSA-N	320.374	1.849	50	20	DDGD	
CCNC(=O)CCCC(=O)NNC(=S)Nc1cccc(C)c1	873774291	JHLSSGMYVXKYPX-UHFFFAOYSA-N	322.434	1.619	50	20	DDGD	
Cc1cc(=NNC(=O)NCCC(=O)OC2CCCCC2)cc[nH]1	875566343	RULITUTWASBRBX-UHFFFAOYSA-N	320.393	1.704	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CC2(C(=O)O)CCC2)cc1	872832215	WKUGVXUSNINWKI-UHFFFAOYSA-N	304.346	1.655	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cc(C(C)=O)c[nH]1	777773678	VBCOEZFJQLZPLR-UHFFFAOYSA-N	301.302	1.761	50	20	DDGD	
CS[C@H](C)CCC(=O)NNC(=O)COc1ccccc1F	773180628	AKUIIQYLZFRAQZ-SNVBAGLBSA-N	314.382	1.884	50	20	DDGD	
C=Cn1cc(C=NNC(=O)c2nn(-c3ccccc3)cc2O)cn1	773025094	NIOALSJNXOVDBL-UHFFFAOYSA-N	322.328	1.639	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cn(C(C)(C)C)nc1C	772295322	KNOXMMNDGBNMMZ-JTQLQIEISA-N	324.381	1.049	50	20	DDGD	
Cc1ncccc1CC(=O)NNc1nc(-c2cccnc2)no1	1117137713	MOCPURUILIVLLJ-UHFFFAOYSA-N	310.317	1.521	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2cccc(C)n2)[C@]12CCCO2	875490616	WMDOYGAKUJOQIC-XJKCOSOUSA-N	320.393	1.743	50	20	DDGD	
Cc1ccc(Cl)cc1OCC(=O)NNC(=O)NCC1CC1	874194156	AXNBSWQGHZIIHI-UHFFFAOYSA-N	311.769	1.768	50	20	DDGD	
O=C(CO[C@@H]1CCOC1)NNc1ccccc1C(F)(F)F	1116201354	PPINARBJETXSBJ-SECBINFHSA-N	304.268	1.954	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](O)c1ccc(Cl)cc1F	887149285	QMCUXMIGAZXRIY-CYBMUJFWSA-N	312.728	1.463	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1cnc[nH]1	772991138	RTOIDCSABXUIPA-QMMMGPOBSA-N	308.725	1.292	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@]12CCc1ccccc12)C1CCOCC1	883064411	BENGKUIJZNQPOJ-YJBOKZPZSA-N	314.385	1.465	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCCO[C@@H]1CCOC1	885725140	SJGDFTTYZVOHFO-ZJUUUORDSA-N	308.216	1.718	50	20	DDGD	
CN(C(=O)C1CCC(Cl)CC1)[C@H]1CCN2CCO[C@H]1C2	1123798767	OXMHYIWMZFLWPD-HOAMVYINSA-N	300.830	1.716	50	20	DDGD	
CCCC(=O)N1CSC[C@H]1C(=O)NCCCSC#N	773594611	WKZWEBPLUZWWIZ-JTQLQIEISA-N	301.437	1.409	50	20	DDGD	
CN(NC(=O)COc1ccc(Oc2ccccn2)cc1)C(N)=O	770438458	YRCRVTAXTRRLHL-UHFFFAOYSA-N	316.317	1.294	50	20	DDGD	
COc1ccc([C@@H](CCO)NS(=O)(=O)CCCCl)cc1	881913367	NSLDLRJLBAEHHU-CYBMUJFWSA-N	321.826	1.667	50	20	DDGD	
CCN1CCC[C@@H](NC(=O)NNc2cc(Cl)ccn2)C1=O	1122098901	AXGGRHJZCLGBEU-SNVBAGLBSA-N	311.773	1.372	50	20	DDGD	
CN1C(=O)[C@@H]2CN(C(=O)c3cccc(CCl)c3)C[C@@H]2C1=O	1120765090	HYVUXMZNNGNQMK-TXEJJXNPSA-N	306.749	1.112	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cc2c(cc1O)OCO2	781804482	JATRFNSYCDRVRF-UHFFFAOYSA-N	308.681	1.321	50	20	DDGD	
O=C(COC[C@@H]1CCCO1)NNc1c(F)cc(F)cc1F	885150612	DDKUWUCAUHIISB-VIFPVBQESA-N	304.268	1.743	50	20	DDGD	
CCOC(=O)c1cnc(C)c(NC(=O)NNC(=O)C(C)C)c1	782595147	XVCUWPQYCJLICR-UHFFFAOYSA-N	308.338	1.375	50	20	DDGD	
NC(=O)N[C@@H](CC(=O)NNc1ccnc(F)c1)c1ccccc1	781363355	OEBOPKYRJNMUCQ-LBPRGKRZSA-N	317.324	1.464	50	20	DDGD	
COc1cc(C(=O)NNc2ncncc2Cl)ccc1[N+](=O)[O-]	781820560	ULGYXUGCMQGPDC-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NCCN1CCC[C@@H]1C	897488159	XAMWIEXGCWOJAW-AWEZNQCLSA-N	318.421	1.352	50	20	DDGD	
Cc1nc2cc(NC(=O)C(=O)NNc3ccccc3)ccc2n1C	784764826	ABOWZXUYGQHXQV-UHFFFAOYSA-N	323.356	1.964	50	20	DDGD	
N#CCCCNC(=O)NNC(=O)c1cc(Br)c[nH]1	784175440	YDWHPEASFHNCJT-UHFFFAOYSA-N	314.143	1.025	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2nc(C)c(C)s2)c1	789757285	LGHHEIWUCVUKMV-UHFFFAOYSA-N	305.363	1.545	50	20	DDGD	
CCCN(CCC)C(=O)CCC(=O)NN(C)C(=O)NCC	780711901	QDIVMMDINKSNES-UHFFFAOYSA-N	300.403	1.108	50	20	DDGD	
C#CCCCC(=O)NNC(=S)Nc1ccc2c(c1)OCO2	899619783	BKLUNXXEBOSCDG-UHFFFAOYSA-N	305.359	1.536	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)c1ccc(Cl)cc1Cl	797429177	OEWXGCFDAVSJNK-UHFFFAOYSA-N	311.190	1.959	50	20	DDGD	
CSSCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1	791150881	WLDSTRWUMOWMTA-UHFFFAOYSA-N	304.397	1.654	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)c1cccnc1	792772221	GQCUAXQNGYJKPK-DJANDWOJSA-N	309.369	1.237	50	20	DDGD	
O=C(NN=Cc1ccc(C(F)F)cc1)[C@H]1CCS(=O)(=O)C1	794487883	FJNYLBOCCKQOJB-NSHDSACASA-N	316.329	1.509	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2O[C@H](C)C[C@H]2C)c1	799858019	KGHMGPKOUITVMP-GPCCPHFNSA-N	322.361	1.278	50	20	DDGD	
COc1ccc(C)cc1NC(=O)C(=O)NNc1ncccc1C	792380126	RCXMQHNOTJFABR-UHFFFAOYSA-N	314.345	1.789	50	20	DDGD	
COc1ncnc(N)c1C=NNC(=O)c1ccccc1Cl	1319046101	NNYHZRRAUUYNST-UHFFFAOYSA-N	305.725	1.485	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccc(C(F)(F)F)nc1O	1319803252	GLCFKKRNYXJUBH-UHFFFAOYSA-N	317.202	1.492	50	20	DDGD	
Cc1cc(C(=O)NNc2ncncc2F)n(C2CCOCC2)n1	1329015248	WPWFMWQVFAMNHM-UHFFFAOYSA-N	320.328	1.229	50	20	DDGD	
Cc1ccccc1C(F)(F)C(=O)NNC(=O)c1cccn1C	1320340878	OGYPWGGSWIVSBD-UHFFFAOYSA-N	307.300	1.887	50	20	DDGD	
CC[C@@H](C)CC[C@H](O)CC(=O)NNc1nncc(N)c1Cl	1326836203	RVZDBWSCYCASPW-BDAKNGLRSA-N	315.805	1.733	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)cc1	1325467185	IYWFVGYCMXDGTI-AVGNSLFASA-N	319.405	1.718	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1snc(Cl)c1Cl	1328656469	PNKZKGPRURJFLT-UHFFFAOYSA-N	313.235	1.967	50	20	DDGD	
NC(=O)c1ccc(CNC(=O)NNc2ccccc2Cl)cn1	1323683007	GEUXTJPWXAQMHG-UHFFFAOYSA-N	319.752	1.660	50	20	DDGD	
CC(=NNC(=O)CNc1ccccc1F)c1ccnc(C)n1	1339006057	IDGWKHVAUGCZDW-UHFFFAOYSA-N	301.325	1.876	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2ncccc2OC)cc1	1258445072	KFWLPELQNGYDFU-UHFFFAOYSA-N	315.329	1.103	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cn2)cc1	1332307029	QZSPZJOJGVJAPC-UHFFFAOYSA-N	319.748	1.747	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=Cc1ccc(N2CCCCC2)o1	1336999633	VLMMZMLLMAKKNY-UHFFFAOYSA-O	313.381	1.708	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NNC(=O)CC(C)C)c(C)c1	1342388139	KEYRRWFKCVCKMM-UHFFFAOYSA-N	306.366	1.553	50	20	DDGD	
O=C(NNc1ncccn1)N[C@@H]1COc2c(F)cc(F)cc2C1	1348034765	NBIDPAYWPLTDTC-JTQLQIEISA-N	321.287	1.385	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1cccc(OC(F)(F)F)c1	1521472948	CETVJALUMHGUSY-UHFFFAOYSA-N	321.255	1.998	50	20	DDGD	
O=C(O)[C@@H]1CCC[C@@H](C(=O)NNc2nc3ccccc3[nH]2)C1	1608621909	DKZDBPAKPLUHIK-NXEZZACHSA-N	302.334	1.897	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)COCc1ocnc1C(=O)O	1606090557	UBVUOBUZAPWMAY-UHFFFAOYSA-N	311.121	1.152	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](CCF)C(=O)O	1600788137	HFIHNAFPIAERAA-VIFPVBQESA-N	305.737	1.281	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1ccc(-c2nn[nH]n2)cc1	1602907283	WUBSMTXVVPMCTK-MFKMUULPSA-N	314.349	1.132	50	20	DDGD	
CC(CCC(=O)O)=NNC(=O)C(=O)Nc1ccc(C)c(C)c1	1609737622	DRSRJMNIQDPTMY-UHFFFAOYSA-N	305.334	1.599	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CCc3n[nH]cc3C2)cc1C(=O)O	1607810114	QQDQZHBKUWGCSH-JTQLQIEISA-N	314.345	1.665	50	20	DDGD	
O=C(O)C1(C(=O)NN=c2cc[nH]cc2Cl)CC2(CCC2)C1	1601702195	DAPOFADZOWQOHE-UHFFFAOYSA-N	309.753	1.635	50	20	DDGD	
CC1(C)CC(=NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)C1	1603757609	DYIQDKDUSORYSG-UHFFFAOYSA-N	314.349	1.538	50	20	DDGD	
O=C(C#Cc1ccc2c(c1)OCO2)NNc1cccc(C(=O)O)c1	1601224675	ZSFSZCYBQXEHPZ-UHFFFAOYSA-N	324.292	1.608	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NNc1ccc(F)c(C(=O)O)c1	1609598964	AOUDQFLAQVPQOJ-CYBMUJFWSA-N	323.324	1.368	50	20	DDGD	
Cc1cc(C(=O)NN=C2CCN(CCC(=O)O)CC2)c(C)o1	1600095033	ADTVFUYQZHGOOK-UHFFFAOYSA-N	307.350	1.553	50	20	DDGD	
O=C(O)c1cncc(C(=O)NNc2cc(F)c(F)c(F)c2)c1	1602535498	IFWQKQBKAZBARX-UHFFFAOYSA-N	311.219	1.954	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2cccn2[C@H](C)C(=O)O)n1	1607839453	KNPYCGKKRSENOU-LLVKDONJSA-N	300.318	1.601	50	20	DDGD	
O=C(O)c1ccnc(C(=O)NNc2cnnc3ccccc23)c1	1602481707	HHRWTJXVPCFGMQ-UHFFFAOYSA-N	309.285	1.480	50	20	DDGD	
O=C(COC(F)F)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1606562505	CQPRRWVEPXVIMF-UHFFFAOYSA-N	318.671	1.202	50	20	DDGD	
CCn1nccc1C(=O)NNc1ccc(C(=O)O)cc1OC	1610087126	SSTSJRMJOZGFRF-UHFFFAOYSA-N	304.306	1.367	50	20	DDGD	
CC(CCc1cccnc1)=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549903997	FEPWVVNIYDZJRH-HZPDHXFCSA-N	316.405	1.370	50	20	DDGD	
CC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)S	1802294781	MEMWNACYKREJQL-RMPHRYRLSA-N	318.870	1.960	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(C(=O)O)cn2)nc1Cl	1610312753	HVIMAZKTCCELRX-UHFFFAOYSA-N	322.708	1.594	50	20	DDGD	
C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](F)Cl)CC1	1827614463	OBECWDNSOXSRQR-OCCSQVGLSA-N	314.788	1.774	50	20	DDGD	
CC(=O)c1cc(C(=O)NNc2ccc(C(=O)O)cc2F)n(C)c1	1589257457	JQSFFPZMYAAFMZ-UHFFFAOYSA-N	319.292	1.822	50	20	DDGD	
C/C(=C\CNC(=O)N1C[C@H]2[C@H](Br)[C@H]2C1)C(=O)O	1588974379	YWUPVLOMELYDBA-DUFSIYFMSA-N	303.156	1.052	50	20	DDGD	
NC[C@@H](C(=O)NNC(=S)Nc1ccccn1)c1ccccc1	1580215842	PQBRSBKRWBKCII-GFCCVEGCSA-N	315.402	1.142	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)C2=COCCC2)C1	1846408115	QFCOPJCPIZADBZ-NSHDSACASA-N	316.760	1.419	50	20	DDGD	
Cn1nc(C(=O)O)cc1C(=O)NNc1ccc(F)c(Cl)c1	1594568033	GMGVKMUUQBTHCP-UHFFFAOYSA-N	312.688	1.668	50	20	DDGD	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)c1cccc2ncccc12	1594228025	BCCWMEOSESSTAF-ABKXIKBNSA-N	313.313	1.107	50	20	DDGD	
CCOC(=O)CC[C@@H](C)NC(=O)NNc1cccc(C(=O)O)c1	1596600464	NPVNMASLTNDSHD-SNVBAGLBSA-N	323.349	1.743	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@H]1CCOC[C@H]1C	1599375974	KAWWVQPTCPYMSE-MWLCHTKSSA-N	308.334	1.509	50	20	DDGD	
C[C@@]1(CNc2cccnc2-c2nn[nH]n2)C[C@H]1Br	1590136391	UXGIXRVBEGFSNK-KCJUWKMLSA-N	309.171	1.847	50	20	DDGD	
CCOc1cccc(CC(=O)NNc2ncccc2C(=O)O)n1	1592862963	KQRWXCBGIIFWIX-UHFFFAOYSA-N	316.317	1.259	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc(C(=O)O)c(O)c1	1776024712	OYDFWTAMRXGLNI-UHFFFAOYSA-N	307.350	1.272	50	20	DDGD	
CCNC(=O)NN=Cc1c(C(=O)O)n(C)c2ccc(F)cc12	1776039429	WWRXLYFZHOLLJW-UHFFFAOYSA-N	306.297	1.669	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(C)=O)[C@H]2C1	1786618525	XKJHBOYKKNIXSA-RVMXOQNASA-N	302.802	1.003	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2nc3ccccc3s2)no1	158145117	YMHGZXGKLDSGLJ-UHFFFAOYSA-N	317.330	1.675	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NOCCC(F)(F)F	158216099	HHRCIGYJDCYBGR-UHFFFAOYSA-N	319.283	1.834	50	20	DDGD	
Cc1cc(C)cc(OCCC(=O)NNC(=O)c2cc(C)n[nH]2)c1	153345617	HSJGQMWXMIJXSU-UHFFFAOYSA-N	316.361	1.565	50	20	DDGD	
CCc1ccc(CCNC(=O)NNC(=O)c2ccc[nH]2)cc1	153468393	JFBSNPBZHZVLDR-UHFFFAOYSA-N	300.362	1.764	50	20	DDGD	
Cc1csc(-c2cccc(C(=O)NNC(=O)CN(C)C)c2)n1	155129592	YCFQNEBPVFVZCN-UHFFFAOYSA-N	318.402	1.441	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1cnn(-c2ccccc2)c1	156243852	OGZHURBWIMPHKX-UHFFFAOYSA-N	320.316	1.296	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1cccc(-c2cccs2)c1	155946982	KNDISENOXLOSMD-UHFFFAOYSA-N	305.359	1.950	50	20	DDGD	
CN1CCC[C@H]2CN(S(=O)(=O)CC(C)(C)CCl)CC[C@H]21	866972289	PCCMHFPUXIQBMS-QWHCGFSZSA-N	322.902	1.997	50	20	DDGD	
ICCN1CCC[C@@H](N2CCCC2)C1	373786447	JQFLUEJGMDPUBO-LLVKDONJSA-N	308.207	1.982	50	20	DDGD	
CN(CC(=O)NC1CCCC1)NC(=O)OCc1ccccc1	859389103	AWVNCEREOFHDRI-UHFFFAOYSA-N	305.378	1.818	50	20	DDGD	
CCOCCCC(=O)NNC(=O)c1ccc2c(c1)OCCO2	58976503	ZVTLKMDLGLNETK-UHFFFAOYSA-N	308.334	1.036	50	20	DDGD	
CC(C)NC(=O)CCCC(=O)NNC(=O)NC1CCCCC1	171790158	HDGCCKAZMMQVDU-UHFFFAOYSA-N	312.414	1.344	50	20	DDGD	
CC(C)N1CCC[C@@H](CNC(=O)NNC(=O)c2ccccc2)C1	105274687	WNEDCUCMWDZUAL-AWEZNQCLSA-N	318.421	1.751	50	20	DDGD	
CC(C)(C)c1ncsc1C(=O)NNC(=O)N1CCOCC1	176679606	FIJMUFBRGTZDSJ-UHFFFAOYSA-N	312.395	1.127	50	20	DDGD	
CCc1c(C(=O)NNC(=O)NC)nnn1-c1cccc(Cl)c1	109121074	LWHOMCRTPXZQNQ-UHFFFAOYSA-N	322.756	1.057	50	20	DDGD	
Cc1ccc(OCCCC(=O)NNC(=O)c2cnn(C)c2)cc1	117680211	AZUJVDVEGGSNBP-UHFFFAOYSA-N	316.361	1.349	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)Cn2ccc3ccccc32)cn1	104628446	OHALFXRVWPLRPI-UHFFFAOYSA-N	309.329	1.201	50	20	DDGD	
CC(C)N(CCNC(=O)NNC(=O)CC(C)(C)C)C(C)C	103297484	PXSRHOYXVPIUPZ-UHFFFAOYSA-N	300.447	1.872	50	20	DDGD	
C[C@@H]1CC[C@@H](CCC(=O)NNC(=O)c2ccc(Cl)nc2)O1	175496091	GWUOHCTWASICFK-KOLCDFICSA-N	311.769	1.844	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1csc([N+](=O)[O-])c1	171510814	JSJPHWRUGALQHU-UHFFFAOYSA-N	306.303	1.055	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cccc(-n2cccc2)c1	175779023	QGHLDZRYKZNKRG-UHFFFAOYSA-N	320.352	1.876	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)CCC1CCC1	175788755	NJJIBVMDAACGID-UHFFFAOYSA-N	300.362	1.984	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1[nH]c2c(c1C)C(=O)CCC2	64884657	CLAAFGXLWVCREZ-UHFFFAOYSA-N	306.366	1.586	50	20	DDGD	
O=C(NNc1c(F)cccc1F)c1ccc(-n2cnnn2)cc1	172445506	XEIQWIWLQAYOIU-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Cc2cc(C)[nH]n2)cc1CC	1352000868	SBZFMGLRNADHGH-UHFFFAOYSA-N	314.389	1.847	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)NCc2ccco2)cc1	64939846	RDNQCZTVNZENEC-UHFFFAOYSA-N	309.347	1.281	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1C	124762026	RLKLKJWGGRFBAG-MRVPVSSYSA-N	311.769	1.780	50	20	DDGD	
O=C(NNc1cnccn1)[C@H]1CCCCN1Cc1ccccc1	121779773	DGAXJDFMEXZMCK-OAHLLOKOSA-N	311.389	1.974	50	20	DDGD	
Cc1csc(CNC(=O)NNC(=O)c2ccc(C#N)cc2)n1	60994738	CNMHQPKPTGWLDX-UHFFFAOYSA-N	315.358	1.467	50	20	DDGD	
CCCN1CCC[C@H]1C(=O)NNC(=O)c1ccc(CC)cc1	123856876	WQLPDKVKLKHTCH-HNNXBMFYSA-N	303.406	1.884	50	20	DDGD	
CN(C)c1ccc(CN(C)S(=O)(=O)CBr)cc1	127139146	NLPIGQKKLUEXRK-UHFFFAOYSA-N	321.240	1.867	50	20	DDGD	
COCc1nc(C)c(C(=O)NNc2nc(C)cc(C)n2)s1	128771851	XCLVPQYBJYWZOC-UHFFFAOYSA-N	307.379	1.762	50	20	DDGD	
CN(C)c1cc(C(=O)NNc2cnccn2)c2ccccc2n1	121163055	XZRSGBIVWAIYLJ-UHFFFAOYSA-N	308.345	1.848	50	20	DDGD	
CC(C)Cn1cc(C(=O)NNC(=O)CNc2ccccc2)cn1	180324973	FIEIIWSHNUKJER-UHFFFAOYSA-N	315.377	1.412	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cc(F)cc2nccnc12	123421519	FWAQMVMUOQLOPW-UHFFFAOYSA-N	302.244	1.455	50	20	DDGD	
CN(C)C(=O)CCCC(=O)NNc1cc(F)c(F)c(F)c1	128744965	GSTPZRAIZZFCPI-UHFFFAOYSA-N	303.284	1.806	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNc1cccnn1)c1ccccc1	77541202	ISGMNJLAMSUSTP-CYBMUJFWSA-N	300.366	1.406	50	20	DDGD	
Cc1ccc2c(c1)C(=O)N(CC(=O)NNc1ccncc1)C2=O	180455644	LLVPDOASPYWHNN-UHFFFAOYSA-N	310.313	1.129	50	20	DDGD	
Cc1cc(C)n2nc(C)c(C(=O)NNc3ccnc(F)c3)c2n1	182469859	PPJPACFUMWDLRG-UHFFFAOYSA-N	314.324	1.946	50	20	DDGD	
COc1cc(C)ccc1NC(=O)NNC(=O)Cc1ccncc1	184550356	ONTYJDMSRBIKDF-UHFFFAOYSA-N	314.345	1.794	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cccc(NC(=O)NC2CC2)c1	79566336	HTICKGIZRAQDSK-UHFFFAOYSA-N	318.377	1.778	50	20	DDGD	
COCc1cc(C(=O)NNC(=O)CCCc2ccccc2)no1	79965406	NHLBGPISOOFNLU-UHFFFAOYSA-N	317.345	1.605	50	20	DDGD	
CCCOCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	132332606	WCLBCRPQXYFGFW-UHFFFAOYSA-N	302.334	1.264	50	20	DDGD	
CCN(C)c1ccc(/C=C(\C#N)S(=O)(=O)NC2CC2)cn1	195309786	MIYLAJGWCYILRV-MDWZMJQESA-N	306.391	1.484	50	20	DDGD	
C#CCCCC(=O)NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1	192097776	QJPYAJFDPBHDGG-UHFFFAOYSA-N	316.365	1.121	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNc1ccc(C(F)(F)F)cn1	132235870	BIFRIVTWGKCUAV-UHFFFAOYSA-N	318.299	1.706	50	20	DDGD	
O=C(NNC(=O)c1cc(Br)c[nH]1)Nc1cccnc1	48395850	AFYOLDMXNKPHJY-UHFFFAOYSA-N	324.138	1.639	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCOCC2)c1C	192557190	OWKHSQUFZXYPLV-LFIBNONCSA-N	317.389	1.517	50	20	DDGD	
Cc1nnsc1C(=O)NNC(=O)c1cc2ccccc2o1	190552087	CPRXGELOFCSWCX-UHFFFAOYSA-N	302.315	1.668	50	20	DDGD	
O=C(C[C@@H]1CCCCO1)NNC(=O)NCCc1cccs1	87193099	WGJFUHHBFCHGJU-NSHDSACASA-N	311.407	1.580	50	20	DDGD	
C=CCNc1ncc(C(=O)NNC(=O)c2cccnc2)s1	136067092	MYVXAMBEVREDHU-UHFFFAOYSA-N	303.347	1.211	50	20	DDGD	
COCCn1ccc(C(=O)NNc2cc(F)c(F)c(F)c2)n1	190254560	PFMJFMALWUVWMY-UHFFFAOYSA-N	314.267	1.704	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2ccc[nH]2)[nH]c(C)c1C(C)=O	97464512	UQYDEQJWFNNVHY-UHFFFAOYSA-N	302.334	1.491	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)c2ccc(C#N)cc2)s1	142482862	NMXWBUNBYNYYOM-UHFFFAOYSA-N	313.338	1.897	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccc(Cl)nc2)cnn1C(C)C	92297600	IYJJLVMIYBVNSO-UHFFFAOYSA-N	321.768	1.896	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCN1C(=O)c1ccco1)C1CCC1	264663471	DZAXPONJQLWHBZ-LBPRGKRZSA-N	319.361	1.222	50	20	DDGD	
N[C@@H]1CCC[C@H](C(=O)NNc2nc(-c3cccnc3)no2)C1	269252723	QFLODXDTAMTGTL-GXSJLCMTSA-N	302.338	1.092	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)N[C@H](C)c1ccccc1C	267194781	PIUWZBKVCZAQNS-OLZOCXBDSA-N	323.393	1.438	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N(C)C[C@@H]2CCOC2)cc(C#N)n1C	267445888	OXEISRQDEWABHV-CODCLWSRSA-N	312.373	1.607	50	20	DDGD	
Cc1cccc(C(=O)N[C@@H](C)C(=O)NNC(=O)C2CCC2)c1	264925484	LRQKTSKXOXHZCQ-NSHDSACASA-N	303.362	1.061	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)cc1)c1csc(N)n1	263629838	KNZJSXDHBHCHCD-UHFFFAOYSA-N	317.374	1.513	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)N[C@@H]1CCC[C@H]1C	264454476	WGUFDHXNDOOLNY-VXGBXAGGSA-N	321.377	1.593	50	20	DDGD	
COC(=O)[C@@]1(F)CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1	273172370	HDXYOJYLDNEOIG-IYCSXQJISA-N	320.295	1.846	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccncn2)c1C	275119775	PECXRKKXTOBEKL-GFCCVEGCSA-N	314.345	1.322	50	20	DDGD	
N#CC1=CCN(CC(=O)NCCOc2cccc(F)c2)CC1	272602649	HHVLDSPEWBMHPZ-UHFFFAOYSA-N	303.337	1.476	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)cc1	365014996	LBSROORSPQMHPJ-FVQBIDKESA-N	318.373	1.200	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1ccc(-n2cnnn2)cc1	273423881	NIFNLMHXNGPCLN-UHFFFAOYSA-N	317.353	1.251	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H]1CCCN1C1CC1)c1ccccc1	279133307	YKSIWBHLSWHFSB-JKSUJKDBSA-N	315.417	1.954	50	20	DDGD	
Cc1nc2ccccc2c(=O)n1CC(=O)N1CC=C(C#N)CC1	272682024	NSMJFLVXMLAANY-UHFFFAOYSA-N	308.341	1.387	50	20	DDGD	
CCOC(=O)Cc1cccc(NC(=O)NNC(=O)CC(C)C)c1	273538255	XSPLSKQEHJKWBB-UHFFFAOYSA-N	321.377	1.991	50	20	DDGD	
CC(=O)N1CCC[C@@H]1C(=O)NNC(=O)Nc1ccccc1C	281082170	GDTMESATUJJNPV-CYBMUJFWSA-N	304.350	1.159	50	20	DDGD	
CC(C)c1ccoc1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	283781946	CUYKSGGWBASIDV-NSHDSACASA-N	314.407	1.509	50	20	DDGD	
CSSCCNC(=O)c1cc(N2CCOCC2)ccn1	285593336	FFKLVPAJSWWYAP-UHFFFAOYSA-N	313.448	1.659	50	20	DDGD	
CCO[C@H](C)C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	283824164	ZXAJECSUADVANF-MRVPVSSYSA-N	317.292	1.866	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CCOC1CCOCC1	288637651	KSYLWKSWAQGOKI-UHFFFAOYSA-N	323.349	1.932	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)c1ccc(Cl)cc1Cl)C1CC1	288495741	WGDWDSQUJDSTQW-ZDUSSCGKSA-N	317.172	1.915	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)Nc2cc3n(n2)CCCC3)n1	287205121	CLGHEPSPZKVLOA-UHFFFAOYSA-N	322.760	1.394	50	20	DDGD	
O=C(C[C@H]1CCCC(=O)N1)NNc1cc(F)c(F)c(F)c1	289222497	CORPLFSWAHTHFH-SSDOTTSWSA-N	301.268	1.606	50	20	DDGD	
COC(=O)c1cc(OC(=O)[C@@H](OC)C2CC2)ccc1[N+](=O)[O-]	280600603	XDMUFCKQPFHPKM-LBPRGKRZSA-N	309.274	1.712	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2cc(C3CC3)no2)c1	281900965	HVAJZUDFKJOYGZ-UHFFFAOYSA-N	321.358	1.712	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cnnc(-c2ccccc2)c1	809972063	PXXNYBCUUISSFJ-UHFFFAOYSA-N	321.340	1.557	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCCO2)cc1[N+](=O)[O-]	292773186	LHRNJHXRSCRBPC-NSHDSACASA-N	308.294	1.235	50	20	DDGD	
O=C(NNC(=O)c1ccnc(-n2ccnc2)c1)NC1CCCC1	299344562	NVILNXXLZRYYOI-UHFFFAOYSA-N	314.349	1.154	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)CCCCCC#N)c1	805154980	SMCIZSYOGMYQNP-UHFFFAOYSA-N	319.361	1.939	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCc2ccccc21)[C@H]1CCCCO1	295622147	RRUCYIGWXWXOPC-HUUCEWRRSA-N	302.374	1.823	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccccc1SCC(N)=O	298631239	FZGKKRJIVGQVRY-UHFFFAOYSA-N	324.406	1.463	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H](c2ccccc2)OC1=O)c1ccccc1	809545588	FVBZZQLECJOBEF-CABCVRRESA-N	324.336	1.752	50	20	DDGD	
Cc1ccccc1OCCCC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	294276201	PMDAGXMGOBAZGD-ZFWWWQNUSA-N	320.389	1.869	50	20	DDGD	
Cn1cncc1CNC(=O)NNC(=O)CCCc1ccccc1	290877262	SAPQVKOKYHBDEV-UHFFFAOYSA-N	315.377	1.273	50	20	DDGD	
Cc1ncc2n1CC[C@H](C(=O)NNc1nnc(C3CC3)s1)C2	290719691	NDMSGKDTDHXCTD-JTQLQIEISA-N	318.406	1.626	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)COCCOC)cc1C	298369085	UVRGAWXTKKSQTC-UHFFFAOYSA-N	310.350	1.278	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@](C)(OC)C2CC2)n1	291582076	WKHXJCRDWCGSPB-AWEZNQCLSA-N	309.370	1.235	50	20	DDGD	
Cc1cc(C)n2nc(C(=O)NN(C)C(=O)OC(C)(C)C)nc2n1	297776252	UTQRGTFOYMUVKH-UHFFFAOYSA-N	320.353	1.253	50	20	DDGD	
CON=CC(=O)NNc1cc([N+](=O)[O-])ccc1Br	809803528	UVUYIKUHSWGLCQ-UHFFFAOYSA-N	317.099	1.433	50	20	DDGD	
Nc1nc(C2CC2)ncc1C(=O)NNc1nc2ccccc2[nH]1	807173513	IUEMGPQEWWWOLB-UHFFFAOYSA-N	309.333	1.569	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NC[C@@H]1CCCNC1=O	819451331	CRZFKXGLFULLMR-DTWKUNHWSA-N	305.216	1.438	50	20	DDGD	
C[C@@H]1CN(Cc2ccccn2)CCC1=NNC(=O)c1ccnnc1	817344087	XRGHHKHQWRXPBX-CYBMUJFWSA-N	324.388	1.499	50	20	DDGD	
O=C(CC1CC1)NNC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2	819105137	YLGRZUJCUHHLCA-QJRTVWDNSA-N	306.406	1.655	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1cccc2c1OCCCO2	815002128	NICKNXYPNHSWBU-UHFFFAOYSA-N	312.329	1.820	50	20	DDGD	
CC(C)c1scnc1C(=O)NNC(=O)N=c1cc[nH]cc1	813573502	CBEJLBXMKIQNRW-UHFFFAOYSA-N	305.363	1.550	50	20	DDGD	
Cc1nn(C)c(N)c1C=NNC(=O)Cn1ccc2ccccc21	814839117	KSVPTKACXMVKLK-UHFFFAOYSA-N	310.361	1.416	50	20	DDGD	
CN(NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)C1CC1	819642976	UKBAHSMCWZLABP-SNVBAGLBSA-N	307.781	1.818	50	20	DDGD	
COc1cc(CCC(=O)NN(C)C2CC2)cc(OC)c1OC	819642328	JBEVXNOHVBCLJC-UHFFFAOYSA-N	308.378	1.770	50	20	DDGD	
CC[C@H](Cc1ccccc1C)C(=O)NNC(=O)N1CCOCC1	819193778	MHECAJWPYBKYPE-CQSZACIVSA-N	319.405	1.637	50	20	DDGD	
CN(C)Cc1cccc(NC(=O)NNc2ncncc2F)c1	813839781	KJRCGGKCOMGONV-UHFFFAOYSA-N	304.329	1.826	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNc1cccc(Cl)n1	817006080	VBUUPFUQBAEDLM-UHFFFAOYSA-N	310.766	1.670	50	20	DDGD	
O=C(NNc1cccc2c1CCCC2)[C@H]1CCc2nncn2C1	815853818	BOVCEPXXFOJYPG-ZDUSSCGKSA-N	311.389	1.863	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)NCCc1cccs1	812534838	PRXMXKICVCZRQJ-WDEREUQCSA-N	313.423	1.540	50	20	DDGD	
O=C(NC[C@@H]1COc2ccccc21)NNC(=O)c1ccc[nH]1	812441328	QVICJLQLXQVUAA-SNVBAGLBSA-N	300.318	1.135	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2cccc(Cl)n2)c(C)n1	815728536	IAEZEZTZNFMMCZ-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1ccc(Cl)c(N)c1	814864717	HVGHKLJREXVQTQ-JTQLQIEISA-N	313.785	1.814	50	20	DDGD	
C[C@]1(C(=O)NNC(=S)NCCc2cccs2)CC1(F)F	820165058	NWVYDDFVDADTFL-LLVKDONJSA-N	319.402	1.831	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccccc1-n1nc(C)nc1C	494471212	PGCOXFFBCKURKN-UHFFFAOYSA-N	318.337	1.667	50	20	DDGD	
CCN(CCO)NC(=O)[C@H](C)Oc1cccc2ccccc12	823879182	GVKQELPNDCEQIF-ZDUSSCGKSA-N	302.374	1.953	50	20	DDGD	
CNc1ccc(C(F)(F)F)cc1C(=O)NN(C)[C@H](C)CO	823913015	NNZARKBSTNAEMP-MRVPVSSYSA-N	305.300	1.705	50	20	DDGD	
CCC[C@H](C)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	495084602	FZEJYXHLBVTFSN-JTQLQIEISA-N	301.387	1.485	50	20	DDGD	
O=C(CN1CCSC1=O)NNc1nc(-c2ccccc2)no1	728080103	DDJRMKDUOTZWDE-UHFFFAOYSA-N	319.346	1.349	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ncsc1NC(=O)OCC	497106583	KXSMOIRJOMUXEF-UHFFFAOYSA-N	315.355	1.066	50	20	DDGD	
C[C@@H](COc1ccc(F)cc1F)NCc1cccc(B(O)O)c1	585018917	WNVYBPVXHGFJHF-NSHDSACASA-N	321.132	1.202	50	20	DDGD	
C[C@@H]1CCCC1=NNC(=O)Cc1csc(N2CCOCC2)n1	729144238	WVSPWNJYEYUCHM-LLVKDONJSA-N	322.434	1.814	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)[C@@H](C)CN1CCCCCC1	491749304	QBUBAPIOEWUXBT-HNNXBMFYSA-N	315.421	1.479	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(-n2cnnc2)cc1	727373754	OGCZVLQNYHJRFN-UHFFFAOYSA-N	302.338	1.011	50	20	DDGD	
CCOC(=O)N[C@@H](C(=O)NNc1ccc(Cl)nc1)C(C)C	492027269	YWQGLQAOEIGSSN-LLVKDONJSA-N	314.773	1.949	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNC(=O)COc1ccccc1CC	820629417	CHOPIXDNDLBSNH-CQSZACIVSA-N	317.389	1.760	50	20	DDGD	
CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1	585002594	ZWUXTPIAKFFJOQ-BXUZGUMPSA-N	307.174	1.450	50	20	DDGD	
OB(O)c1cccc(CNc2cc(F)ccc2OCC2CC2)c1	585037677	GVQZSTWCCPSDJP-UHFFFAOYSA-N	315.153	1.906	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2C[C@H]2c2c(F)cccc2Cl)cc1	585046306	POGMNZXZFXUBII-IUODEOHRSA-N	319.572	1.805	50	20	DDGD	
CCNC(=O)NN=Cc1cnc2ccc(Br)cn12	735972342	YBRGYMNOSBRZDB-UHFFFAOYSA-N	310.155	1.750	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C1C[C@H](C)N(C)C1	496046022	TZFYCOAWPBXUEM-AAEUAGOBSA-N	322.409	1.099	50	20	DDGD	
CC(C)CC[C@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1	584963505	ZRGOMRZYIWDUKK-CYBMUJFWSA-N	321.201	1.794	50	20	DDGD	
Cc1cccc(OCC(=O)NN=C2CCCS(=O)(=O)C2)c1	731924986	VGVQPBVVLZZFMG-UHFFFAOYSA-N	310.375	1.055	50	20	DDGD	
CO[C@@H]1COCC[C@H]1CNC(=O)/C(C#N)=C/c1ccc(F)cc1	491101871	GKZFKMAXSJLTNL-SEPPTKIGSA-N	318.348	1.900	50	20	DDGD	
COC(=O)N(C)NC(=O)CCN(C(=O)OC(C)(C)C)C1CC1	497072679	GVXDREVNUTWUCF-UHFFFAOYSA-N	315.370	1.505	50	20	DDGD	
COC(=O)N(C)NC(=O)C1CCC(NC(=O)C(C)(C)C)CC1	495821781	AMRXWJWEQDJWCV-UHFFFAOYSA-N	313.398	1.437	50	20	DDGD	
COc1cc(/C=C(/C#N)C(=O)O)c([N+](=O)[O-])cc1OCC(=O)O	730439454	LCRYBRXRAKLDSF-WAPJZHGLSA-N	322.229	1.058	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1ccc(F)c(F)c1	494727734	VXLHQISMNPSIKL-UHFFFAOYSA-N	313.304	1.940	50	20	DDGD	
CCC[C@H](Cc1ccccc1)NC(=O)c1cccc(B(O)O)c1	584940018	QJDYRONWEOVWBZ-QGZVFWFLSA-N	311.190	1.508	50	20	DDGD	
COC(=O)C1(C(=O)NN=c2sc3ccccc3n2C)CC1	588471621	PECATLVQQCJPPC-UHFFFAOYSA-N	305.359	1.125	50	20	DDGD	
CS(=O)(=O)c1ccc(/C=C(/C#N)C(=O)N2CCCC2)cc1	490610904	NUURUNLYLSXQOB-RAXLEYEMSA-N	304.371	1.619	50	20	DDGD	
CCCCN(C)C[C@@H](C)NC(=O)NNC(=O)OC(C)(C)C	496265891	SPRDVGCBPSLRTP-LLVKDONJSA-N	302.419	1.846	50	20	DDGD	
CS[C@H]1CCC[C@@H]1c1nc(-c2cccc(B(O)O)c2)no1	585052376	KNXGFYDBWKZOBY-RYUDHWBXSA-N	304.180	1.416	50	20	DDGD	
CCN1C[C@H](C)N(C(=O)/C(C#N)=C/c2cnn(C)c2)C[C@@H]1C	491137280	XAMABXDZNDAPNR-WBNCPIHSSA-N	301.394	1.268	50	20	DDGD	
CN(C)C[C@@](C)(C=NNC(=O)c1cnn(C)c1)c1ccccc1	834959817	SOUHXMMUDGQXDJ-QGZVFWFLSA-N	313.405	1.655	50	20	DDGD	
COc1cc(CCC(=O)NNC(=O)Cc2ccccc2C)on1	830332092	OVQDHGMVPDAVKG-UHFFFAOYSA-N	317.345	1.314	50	20	DDGD	
C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NNc1ccccc1	736185312	UTLWIWWPWNWGCS-LLVKDONJSA-N	324.344	1.777	50	20	DDGD	
C[C@@H](CCOCc1ccccc1)NCc1ccccc1B(O)O	585041689	SJLZXJITMWYJNY-HNNXBMFYSA-N	313.206	1.451	50	20	DDGD	
CCOc1ccc(C(=O)CCC(=O)N2CC[C@H](B(O)O)C2)cc1	585073983	HCNLUWCTCKNCCL-ZDUSSCGKSA-N	319.166	1.124	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H]2SCCc3ccccc32)o1	585026363	MPJGHFGXYPAHPL-AWEZNQCLSA-N	303.192	1.080	50	20	DDGD	
C[C@H]1CCc2ccccc2[C@@H]1NCc1ccc(B(O)O)cc1F	585035529	UTWWAQOHWYDSPK-KPZWWZAWSA-N	313.181	1.919	50	20	DDGD	
CO[C@@H]1CN(C(=O)CCCC[C@H]2CCSS2)C[C@H]1O	836955303	HDOUEKAQDISCGC-QJPTWQEYSA-N	305.465	1.919	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Nc2nc(CC)no2)cc1	836669395	JMEVSJTZIUSRIB-UHFFFAOYSA-N	303.322	1.661	50	20	DDGD	
O=C(NCCOC1CCCCC1)NNC(=O)[C@H]1CCCCO1	837781817	XHRVQTVHFYFZMK-CYBMUJFWSA-N	313.398	1.235	50	20	DDGD	
COc1ccc(OC)c(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	831063070	SQYHPPVMIGCHPN-KOLCDFICSA-N	323.349	1.282	50	20	DDGD	
OB(O)c1cccc(CN[C@H]2CCCOc3cc(F)ccc32)c1	585033161	ZFFITRZPYMPRSO-INIZCTEOSA-N	315.153	1.509	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)C(=O)Nc1ccccc1	732065876	ZYPSHXLMXUOMAN-UHFFFAOYSA-N	324.300	1.213	50	20	DDGD	
O=C(C[C@H]1CCCCO1)NNc1cc(O)nc2ncccc12	913991973	LERPKHWGXKOTCN-SNVBAGLBSA-N	302.334	1.738	50	20	DDGD	
CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(Cl)Cl	837652126	XUBHHFZLKQZCSY-GFCCVEGCSA-N	315.200	1.880	50	20	DDGD	
COc1ccc(-c2cc(C(=O)NN(C)C[C@H](C)O)no2)cc1	910181906	FGXPBFWLXUPPIK-JTQLQIEISA-N	305.334	1.308	50	20	DDGD	
C[C@H]1C(=O)N(NC(=O)[C@@H](Br)C(C)(C)C)C(=O)N1C	912822827	BMNVJQIKXIEBDI-NKWVEPMBSA-N	320.187	1.110	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C1CCCC1)c1nnc2ccccn12	916222012	OUTKSSPAUHELML-JTQLQIEISA-N	316.365	1.311	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)CN2CCCC2=O)C12CCCCC2	741455000	JIVDFIVKLVEHES-CQSZACIVSA-N	321.421	1.840	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccccc1F)[C@H]1CCCNC1	841928947	VUOCGHIPGUVISL-QWRGUYRKSA-N	308.357	1.158	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(O[C@H](C)C#N)cc1	748260457	UANYGZPBUUBOLJ-OLZOCXBDSA-N	319.361	1.479	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@@H](C(=O)O)C(C)C	848588339	RVKVSQCVUCCHEX-GFCCVEGCSA-N	307.350	1.296	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CC2(CSC)CC2)nc1	845887969	AUCWFRIBJOSJJZ-UHFFFAOYSA-N	309.391	1.845	50	20	DDGD	
CC(C)[C@@H](N)CNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	841943896	QAZKAFXXVJRGIM-AWEZNQCLSA-N	320.437	1.911	50	20	DDGD	
C[C@H](COCC1CC1)NC(=O)NNC(=O)CCc1ccccc1	845584578	TZRHOAUJEVMIHK-CYBMUJFWSA-N	319.405	1.765	50	20	DDGD	
CC(C)Cn1ncc(NC(=O)NNC(=O)CCCN)c1C1CC1	841243446	KAEVWXWQZWDRHL-UHFFFAOYSA-N	322.413	1.308	50	20	DDGD	
CC1(C(=O)NNC(=O)CSc2ccccc2[N+](=O)[O-])CC1	844127440	NZERBSBODZOLNS-UHFFFAOYSA-N	309.347	1.634	50	20	DDGD	
CCNCCCNC(=O)NNC(=O)c1cc2c(s1)CCC2	841917424	HCRGCGGXUOTHFS-UHFFFAOYSA-N	310.423	1.180	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCN1Cc2ccccc2C1	744304985	BMMRXGHNNWGREE-UHFFFAOYSA-N	304.394	1.379	50	20	DDGD	
CCOC(=O)c1cc(/C=C(/C#N)C(=O)NC2CCCC2)[nH]n1	843268167	FRCWPGUAMMQBKZ-YFHOEESVSA-N	302.334	1.552	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1F	747432207	YLTUMUPAZKARRL-ZETCQYMHSA-N	315.732	1.155	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H]2CC[C@H]2C(N)=O)cc1	847288168	VZEBAUGCPSVOIS-OLZOCXBDSA-N	317.389	1.257	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1cc(OC)ccc1O	748253705	RSBCJEJRJQIEEJ-NSHDSACASA-N	310.350	1.293	50	20	DDGD	
N#Cc1csc(C=NNC(=O)c2cc([N+](=O)[O-])ccc2O)c1	748076133	QILYWTPVTWMFAY-UHFFFAOYSA-N	316.298	1.997	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)COc1cc(C)ccc1C	916092958	RPXAEOMSQVYYDK-GXTWGEPZSA-N	306.362	1.255	50	20	DDGD	
COc1ccc(O)c(C=NNC(=O)[C@H](C)CN2CCCCC2)c1	916365061	ZSTJBWKEUUKNGL-CYBMUJFWSA-N	319.405	1.973	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)cc1[N+](=O)[O-]	842558338	SHOOPDFTVDPGQH-MWLCHTKSSA-N	307.306	1.479	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCO[C@H]2C)ccc1[N+](=O)[O-]	842562360	PMFSKANSKPXLRJ-GXSJLCMTSA-N	307.306	1.479	50	20	DDGD	
CC(C)COCCC(=O)NNC(=O)COc1ccccc1F	915286430	RKGQAKDADGEXPH-UHFFFAOYSA-N	312.341	1.415	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)c2ccc[nH]2)cc1OC	916982142	ZCILBZCVUXHLGT-UHFFFAOYSA-N	318.333	1.889	50	20	DDGD	
Cc1cccc(-n2nnc(C(=O)NNC(=O)c3ccc[nH]3)c2C)c1	917391110	GUGDKJSEGRWDKB-UHFFFAOYSA-N	324.344	1.287	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCC[C@@]1(O)CCCOC1	846596906	OOEHTUWWZLGLHR-MFKMUULPSA-N	322.243	1.844	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=S)N[C@H](C)Cc1ccccc1	843276510	CEOABEIKQCOCRO-DYEKYZERSA-N	321.446	1.538	50	20	DDGD	
CCc1ccc(NC(=S)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	843276924	KPRLWKHLVNZEOP-ZWNOBZJWSA-N	307.419	1.992	50	20	DDGD	
CC(=NNC(=O)c1csc(N2CCOCC2)n1)[C@H]1CCOC1	741756931	SZGWXBXUCIBZDG-NSHDSACASA-N	324.406	1.122	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H](C)Cc1ccc(OCC)cc1	840238482	ZAJIWMWZFKLWAH-LBPRGKRZSA-N	321.446	1.945	50	20	DDGD	
C[C@@H]1COC[C@@H]1NC(=O)NNC(=O)c1cccc2ncccc12	926002878	DNXYWFFRIKCMOU-YGRLFVJLSA-N	314.345	1.214	50	20	DDGD	
COCCN(C)NC(=O)c1c(C(F)(F)F)nc2ccccn12	841431740	FKSRQEUTWHYUHP-UHFFFAOYSA-N	316.283	1.576	50	20	DDGD	
O=C(NCc1nc(C2CC2)n[nH]1)NNc1cc(F)ccc1F	922674931	GZSZBOBYKRCXGR-UHFFFAOYSA-N	308.292	1.787	50	20	DDGD	
CCC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1CC1(C)C	841621153	ULSPCKHVZOFENT-NXEZZACHSA-N	301.412	1.285	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1cnn(-c2ccc(F)cc2)c1	842556481	NTYQUBLODYDTJQ-IAQYHMDHSA-N	316.336	1.887	50	20	DDGD	
Cn1ccc(NC(=O)NNC(=O)Cc2ccc(Cl)cc2)n1	756292487	BCTUGEVSVOGHCB-UHFFFAOYSA-N	307.741	1.469	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)COc1ccc(C)c(C)c1	758995339	BIRUWKBNTNOFJN-UHFFFAOYSA-N	322.405	1.892	50	20	DDGD	
CCc1cnccc1[C@@H](C)NC(=O)NNC(=O)c1cn[nH]c1	858344075	JKPVGWGMLATGOH-SECBINFHSA-N	302.338	1.072	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CC2CCSCC2)nc1	759738225	NSOIVGAOAPJHLY-UHFFFAOYSA-N	309.391	1.845	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)Cc2ccccc2F)c(C)nn1	759075540	DDPZZSUZQAPLNW-UHFFFAOYSA-N	316.336	1.490	50	20	DDGD	
CCCC1(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CCC1	759109671	UUUDCOKVPGZLQI-CQSZACIVSA-N	318.373	1.944	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(F)n2)CC[C@H]1C	852709508	WYUPFSBUJYBOSG-OUAUKWLOSA-N	308.357	1.989	50	20	DDGD	
CC(C)(CNC(=O)NNc1cc(F)ccc1F)S(C)(=O)=O	921319362	OMAHYUXRJMLLFV-UHFFFAOYSA-N	321.349	1.414	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccc(O)c(Cl)c2)nn1C	757752458	DXRWPCPSQZTCJW-UHFFFAOYSA-N	323.740	1.554	50	20	DDGD	
CNC(=S)N(C)NC(=O)CSc1ccc(F)c(F)c1	854927991	LLLWFLHFRJAKPJ-UHFFFAOYSA-N	305.375	1.524	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)cc1F	853877031	PLKQANBCGXVVQW-FZMZJTMJSA-N	310.373	1.479	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc(F)c(F)c(O)c1F	754884751	SLDYNCQEDUHPFK-UHFFFAOYSA-N	313.235	1.223	50	20	DDGD	
Cn1nc(C(=O)NNc2cc(Cl)nc(N)n2)c2c1CCCC2	857486864	UTHXSDTYQASVRF-UHFFFAOYSA-N	321.772	1.081	50	20	DDGD	
C[C@H](CC=NNC(=O)Cc1cc(O)nc(O)n1)c1ccccc1	755751477	YAARBRCAAITJER-LLVKDONJSA-N	314.345	1.726	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CN2[C@H]3CCC[C@H]2CC3)c1	752345632	KLFNNPUWRDSURR-GJZGRUSLSA-N	312.373	1.336	50	20	DDGD	
C[C@H]1CN(C2CC2)CC1=NNC(=O)Cn1cnc2ccccc21	755880201	LYAMPACTVCLQQI-LBPRGKRZSA-N	311.389	1.623	50	20	DDGD	
Cn1nncc1C=NNC(=O)c1cc(Br)ccc1O	751132747	HYCPBSGHBPLLSD-UHFFFAOYSA-N	324.138	1.047	50	20	DDGD	
C[C@H](C(=O)NC[C@]1(C)C[C@H]1Br)c1cnn(C)c1	857393713	MKSAWRXPZSAEDP-XRNSZHNASA-N	300.200	1.813	50	20	DDGD	
CCC(=O)N1CCN(C(=O)NC[C@]2(C)C[C@@H]2Br)C1	856895262	ZKTCZQBJCSKWGG-CABZTGNLSA-N	318.215	1.381	50	20	DDGD	
CC(=O)N1C[C@H](C(=O)NCCCSC#N)Oc2ccccc21	854363079	LGKRJCGEOJOBSD-CQSZACIVSA-N	319.386	1.521	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H](CC)N(C)C(=O)OC(C)(C)C	854164072	RCUYPGCUVNUKSN-VIFPVBQESA-N	303.359	1.409	50	20	DDGD	
O=C(NCCOCCF)NNC(=O)c1cccc2ccccc12	852140951	BGGODGIOGPSDEM-UHFFFAOYSA-N	319.336	1.770	50	20	DDGD	
Cc1nc(C=NNC(=O)[C@H](C)CN2C[C@@H](C)O[C@H](C)C2)[nH]c1C	853280569	HDDSCJVTKCFPIS-IJLUTSLNSA-N	321.425	1.222	50	20	DDGD	
CC(=O)c1cccc(CNC(=O)NNC(=O)CC(F)(F)F)c1	923109427	JZYNFSFSULJCAN-UHFFFAOYSA-N	317.267	1.672	50	20	DDGD	
C[C@@]1(CNCc2cnc3c(C#N)cnn3c2)C[C@H]1Br	857064972	HDBXLOBRGHCIEY-YPMHNXCESA-N	320.194	1.864	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2ccc(O[C@H]3CCOC3)cc2)cn1	853309074	GEPHCPLCGABPEM-HNNXBMFYSA-N	314.345	1.352	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2conc2C(C)C)cc1	858140806	GXELFXDZMRKZQE-UHFFFAOYSA-N	317.345	1.946	50	20	DDGD	
CC(C)C(=O)NNC(=O)C1CCC(NC(=O)C2CCCC2)CC1	751293317	GCMQZWAQCNJJHA-UHFFFAOYSA-N	323.437	1.655	50	20	DDGD	
O=C(NCCc1cccc([N+](=O)[O-])c1)NNC(=O)c1ccc[nH]1	759680279	ADPOBTKSLJVLGT-UHFFFAOYSA-N	317.305	1.110	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1nnc(-c2ccco2)s1	756029912	PEEHJNDMXFNHHL-UHFFFAOYSA-N	318.318	1.593	50	20	DDGD	
CCOCCOCCCC(=O)NNc1cc(Cl)nc(C)n1	854956527	KGPOUFGWHILOQR-UHFFFAOYSA-N	316.789	1.715	50	20	DDGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NC(CO)CO)c1C	755709518	VHOXUGYKCYPSNA-NVNXTCNLSA-N	319.405	1.281	50	20	DDGD	
Cc1ccc(C(=O)NNc2cnccn2)cc1N1CCOCC1	867493181	HOBXREWHSAZOFX-UHFFFAOYSA-N	313.361	1.379	50	20	DDGD	
C[C@H](C=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1)CCC#N	766003199	SMCSFBINSDVGLJ-ZQDZILKHSA-N	308.426	1.774	50	20	DDGD	
O=C(NNc1ncccc1C(F)(F)F)[C@H]1C[C@]12CCOC2	764464425	ZEHSMYNTYHXJKW-SKDRFNHKSA-N	301.268	1.970	50	20	DDGD	
O=C(CCCOc1ccc2c(c1)CCC2)NNC(=O)C1CC1	764515307	ONTJQCKTIKMLKO-UHFFFAOYSA-N	302.374	1.892	50	20	DDGD	
CCCCOC(=O)CSCC(=O)NNC(=O)C(C)(C)C	865377736	PBFRGTSGACHEKV-UHFFFAOYSA-N	304.412	1.256	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCC1(O)CCOCC1	768200331	PYTCTEOFGBBJFF-SECBINFHSA-N	308.216	1.454	50	20	DDGD	
Cc1ncc(-c2ccc(NCc3cccc(B(O)O)c3)cc2)o1	864025003	KUXSZZAPSHWYKP-UHFFFAOYSA-N	308.146	1.942	50	20	DDGD	
O=C(/C=C\C1CCOCC1)NNCC(F)(F)C(F)(F)F	863096210	ZMUCUXSDUNGVBR-UPHRSURJSA-N	302.243	1.788	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cn[nH]c2)cnn1CCC(C)C	862472675	QMABKDCSSKCZIW-UHFFFAOYSA-N	304.354	1.036	50	20	DDGD	
CC(=O)C[C@H]1COCCN1S(=O)(=O)CC(C)(C)CCl	867088274	OPESKTZCUUYFBI-NSHDSACASA-N	311.831	1.261	50	20	DDGD	
C[C@@H](NNC(=O)[C@H]1COc2ccc(O)cc2O1)C(F)(F)F	869376800	KZMCVXOKBBGSER-LHLIQPBNSA-N	306.240	1.104	50	20	DDGD	
O=C(NNc1ncccn1)N[C@@H]1CC[C@H]2SCCS[C@@H]12	763058584	GVZRCRLJHYQDRU-BBBLOLIVSA-N	311.436	1.482	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=CCCCCOc2ccccc2)N1	863149182	TVRAZLJUJIGPAA-AWEZNQCLSA-N	303.362	1.616	50	20	DDGD	
CC(=NNC(=O)Cn1nc(C)cc1C)c1cccc(C(=O)O)c1	764662062	HURJFYFIWYCHCG-UHFFFAOYSA-N	314.345	1.739	50	20	DDGD	
COc1cccc(F)c1C(=O)NNC(=O)c1ccccc1O	760990414	AGWSPQBIKQCJET-UHFFFAOYSA-N	304.277	1.615	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CCc2cccc(F)c2F)n[nH]1	869012393	PBDJLAOMTOUWHI-UHFFFAOYSA-N	322.315	1.319	50	20	DDGD	
CCN(C(=O)NC[C@]1(C)C[C@H]1Br)[C@@H]1CCNC1	1119478148	SYOFRNOUDLTWED-FOGDFJRCSA-N	304.232	1.553	50	20	DDGD	
COCOc1ccc(NC(=O)NNC(=O)[C@H]2CCCCO2)cc1	879912146	BDKMUXLAYBYSFN-CYBMUJFWSA-N	323.349	1.391	50	20	DDGD	
COc1cncc(NC(=O)C(=O)NCCSSC)c1	873872252	OCZDHUXJXLZJGA-UHFFFAOYSA-N	301.393	1.156	50	20	DDGD	
Cc1cccc(NNC(=O)NCCC(=O)N2CCCCCC2)n1	875184126	MQPAWTPNKOKLJM-UHFFFAOYSA-N	319.409	1.809	50	20	DDGD	
C[C@H]1COCCCN1C(=O)NNC(=O)CCCc1ccccc1	773004926	KDMQDRDYJVXHGU-AWEZNQCLSA-N	319.405	1.861	50	20	DDGD	
CC[C@H]1CCc2nc(NC(=O)NNC(=O)CCO)sc2C1	1116908176	AQCBVYHROGKWNV-QMMMGPOBSA-N	312.395	1.193	50	20	DDGD	
CCC[C@@H](C(=O)NNc1ncnc2[nH]cnc12)c1ccccn1	774428232	AGWVAIMLRQRZAM-SNVBAGLBSA-N	311.349	1.775	50	20	DDGD	
Cc1cc(Br)c2c(c1)C(=NNC(=O)CO)CCO2	776780160	PCOUFOIJCGZILU-UHFFFAOYSA-N	313.151	1.353	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H](C)c2ccc(F)c(F)c2)nc1O	1116144950	JWLBBOZZYGVVJL-LURJTMIESA-N	309.276	1.411	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1ccc(OC)cc1Cl	872400620	WEYAHTNINKPFNV-UHFFFAOYSA-N	314.769	1.852	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1118814027	SUIGXZLJOMIUNU-SKDRFNHKSA-N	305.216	1.581	50	20	DDGD	
CCCNC(=O)NNC(=O)c1nn(-c2ccc(F)cc2)cc1O	779501502	AKJJWUWGWUMGOW-UHFFFAOYSA-N	321.312	1.071	50	20	DDGD	
COC(=O)N1CC(C)(NC(=O)[C@]2(C)C[C@H]2Br)C1	1120693894	PHVGBZQAEPBFGG-RDDDGLTNSA-N	305.172	1.117	50	20	DDGD	
O=C(NN=CCC1CCOCC1)c1cc([N+](=O)[O-])ccc1O	788716888	NNUAMUVLJFNWRZ-UHFFFAOYSA-N	307.306	1.833	50	20	DDGD	
Cc1nn(Cc2ccccc2)c(C)c1C=NNC(=O)C(C)(C)O	785465057	AIVUFJYSXOTXOM-UHFFFAOYSA-N	314.389	1.769	50	20	DDGD	
O=C(NNc1ccc(F)cc1Cl)[C@H]1CCc2nncn2C1	885136751	GUEFOHGOKBTDBI-QMMMGPOBSA-N	309.732	1.776	50	20	DDGD	
CC[C@H](O)[C@@H](C)C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	899947957	AWZDZXJMWVPOHG-MCIONIFRSA-N	322.405	1.625	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNc2cccc(OC)n2)c1	784847624	LFTIBDAGSZRFLA-UHFFFAOYSA-N	316.317	1.181	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN(C)c2ccccc2)c(O)n1	783428912	FADZSAAQIGUZPO-UHFFFAOYSA-N	300.318	1.202	50	20	DDGD	
CCC(=NNC(=O)c1nn(-c2ccccc2)cc1O)c1cn[nH]c1	788977199	LSRBSUGADAQRSY-UHFFFAOYSA-N	324.344	1.845	50	20	DDGD	
COc1ccc(NNC(=O)C[C@@H](C)n2nc(C)cc2C)nc1	781516656	OOQRPCXOFCFZOQ-GFCCVEGCSA-N	303.366	1.998	50	20	DDGD	
Cn1cc(C(=O)NN=C2CCOC[C@@H]2CN2CCCCC2)cn1	787157784	MVXAVEALBDQFPT-AWEZNQCLSA-N	319.409	1.028	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(OC)c(Cl)n2)nc1	781537337	KNUDOTOSKPMYIF-UHFFFAOYSA-N	308.725	1.904	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1cccc2cnccc12	784792451	IHUXOFMYRKDBSM-UHFFFAOYSA-N	307.313	1.712	50	20	DDGD	
CSCCCCCCNC(=S)NNC(=O)c1ncon1	899575610	SNXQIWNJSAAMKS-UHFFFAOYSA-N	317.440	1.102	50	20	DDGD	
Cc1cc[nH]c1C(=O)NNC(=O)c1nnc(O)c2ccccc12	797792588	OFEDSLJHGSAAMF-UHFFFAOYSA-N	311.301	1.047	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)c1n[nH]c(C)c1[N+](=O)[O-]	798129795	XXNJKQAHPKBBQD-UHFFFAOYSA-N	309.257	1.531	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)C[C@H]1CCCOC1	798125335	CWYONURSPZICBF-LLVKDONJSA-N	323.418	1.830	50	20	DDGD	
O=C(NNC(=O)c1cccc2ccccc12)NOCC(F)F	792958243	VMFCFIXSFHIOTQ-UHFFFAOYSA-N	309.272	1.981	50	20	DDGD	
CC(C)[C@H](C=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1	794487604	AHTDQVJGKGBIBC-CABCVRRESA-N	322.430	1.963	50	20	DDGD	
COCc1cc(C=NNC(=O)COc2ccc(F)cc2)no1	794881681	XPNQEMRZTPHVRR-UHFFFAOYSA-N	307.281	1.489	50	20	DDGD	
C[C@H](NC(=O)CCl)C(=O)Nc1cccc(N2CCCC2)c1	1319674290	KCMDVIBJQLTZRT-NSHDSACASA-N	309.797	1.969	50	20	DDGD	
COc1cc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)ccn1	1318595701	XUYXHKBWILKSCI-UHFFFAOYSA-N	319.748	1.747	50	20	DDGD	
COC(=O)C(=O)NN=C(C)[C@@H]1CCN(Cc2ccccc2)C1	1319928481	OLSGMQMDQJUGNW-CQSZACIVSA-N	303.362	1.174	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc(N)nc(Cl)c2)cc1	1318200855	ZAJCOBZYBGEHLB-UHFFFAOYSA-N	320.736	1.401	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(C(N)=O)nn1)c1ccc(F)cc1F	1322494912	DCIMSXHJGGXCKB-ZETCQYMHSA-N	321.287	1.101	50	20	DDGD	
COc1cc(C(=O)NNc2ncnc3ccsc23)ccn1	1324008218	AAFZHLGPHYAUIR-UHFFFAOYSA-N	301.331	1.852	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ccc3cc[nH]c3n2)c1Cl	1325050582	JKHCYMJHENAQPJ-UHFFFAOYSA-N	303.713	1.345	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@H]2CCc3ccccc3C2)c1Cl	1326455461	KZXGSAYIRUGHBO-NSHDSACASA-N	317.780	1.960	50	20	DDGD	
COC1(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)CCOCC1	1322133366	NJDLRFJUISDOGY-UHFFFAOYSA-N	317.345	1.167	50	20	DDGD	
CCCN1CCCC[C@@H]1C(=O)NNC(=O)c1cccc(F)n1	1329445828	SJZXCXSWPWWVQN-GFCCVEGCSA-N	308.357	1.246	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)C2CC2)CC1)c1ccccc1Cl	1330504499	NWRRSPHKHWJFFO-UHFFFAOYSA-N	306.749	1.860	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCc2cn(C)nc2C)cc1O	1333134239	TXPJGCINVAVDGY-UHFFFAOYSA-N	316.361	1.136	50	20	DDGD	
NC(=O)CN(C(=O)c1cccc(CCl)c1)C1CCOCC1	1337409655	LVWMLDJXWYEKSL-UHFFFAOYSA-N	310.781	1.532	50	20	DDGD	
O=C(OCc1nc[nH]n1)[C@@]12CC[C@@H](C[C@@H]1Br)C2	1332152646	BTAFCCZQQLBRDH-DKCNOQQISA-N	300.156	1.802	50	20	DDGD	
COC(CN(CCCO)C(=O)c1cccc(CCl)c1)OC	1335877322	OKJIQURWHNHFRU-UHFFFAOYSA-N	315.797	1.869	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1c2ccccc2nn1C	1338276540	LZPSPUKVDBXECR-UHFFFAOYSA-N	323.447	1.045	50	20	DDGD	
O=C(NNC(=O)c1cc2c(cn1)OCCC2)OCC(F)(F)F	1330965154	BFJARIIDFMNIQW-UHFFFAOYSA-N	319.239	1.340	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)C(=O)Nc1cccnc1	1337962072	YOUHGLJGWBOYFN-UHFFFAOYSA-N	318.720	1.135	50	20	DDGD	
Cc1noc(C)c1NC(=O)C(=O)NNc1nccnc1C(C)C	1343904424	CIMYGDMYCFEMHW-UHFFFAOYSA-N	318.337	1.287	50	20	DDGD	
C[C@]1(Cn2nnnc2N2CC[C@@H](CF)C2)C[C@@H]1Br	1352686054	JOLRBPXRHDNPSP-ATZCPNFKSA-N	318.194	1.642	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2Cc3cccnc3NC2=O)C[C@@H]1Br	1352671738	RPGNKHDIEQHBFP-ZDMBXUJBSA-N	324.178	1.235	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=S)Nc1ccccn1	1352271675	FFHHXYQWNBSNNP-IJLUTSLNSA-N	321.450	1.661	50	20	DDGD	
Cn1nc(C(=O)NNc2ccc(CC(=O)O)cc2)cc1C1CC1	1600998468	ATZWJWRKNBRVNF-UHFFFAOYSA-N	314.345	1.682	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CCc3nc[nH]c3C2)c(F)c1	1602385013	OUSIEPVUPHOEJH-MRVPVSSYSA-N	318.308	1.495	50	20	DDGD	
Cc1cccc(NNC(=O)c2ccc(-c3nn[nH]n3)c(O)c2)n1	1605919858	SORLFZIOBFAOFB-UHFFFAOYSA-N	311.305	1.033	50	20	DDGD	
O=C(CC(F)(F)F)NN=C1CCCn2nc(C(=O)O)cc21	1608288729	KZTAMQUEGUZRCY-UHFFFAOYSA-N	304.228	1.148	50	20	DDGD	
O=C(O)C(=O)NN=C1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]12	1601638058	PLNZHMDCZQRXFG-DZGCQCFKSA-N	315.373	1.618	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2ccc3cc[nH]c3n2)cc1	1602129325	ZCGQCDCRNFQUAQ-UHFFFAOYSA-N	310.313	1.947	50	20	DDGD	
C[C@H]1COCC[C@H]1NC(=O)NNc1cccc(C(=O)O)c1F	1609878520	PCXLXSIJILSZNS-WCBMZHEXSA-N	311.313	1.575	50	20	DDGD	
Cc1ccc(NNC(=O)c2cccn(C)c2=O)cc1C(=O)O	1600462311	YSYITBVSXOFSNZ-UHFFFAOYSA-N	301.302	1.149	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)c1ncoc1-c1ccon1	1608948481	CONAFOJNOWKYDM-UHFFFAOYSA-N	314.257	1.785	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](C(=O)NNc2ncccc2C(=O)O)C1(C)C	1602767915	UWOYPIAPXJYCNX-WDEREUQCSA-N	305.334	1.474	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)C1(Oc2ccccc2)CC1	1606528480	JITDPGWRRIKBNY-UHFFFAOYSA-N	313.313	1.835	50	20	DDGD	
CO[C@@H]1CCCC(=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	1609314193	FARZOOSTNIWPCY-CYBMUJFWSA-N	314.349	1.542	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC(=O)O)c(C)n1-c1ccccc1	1600095420	KDGOITRCXCLHNP-UHFFFAOYSA-N	315.329	1.330	50	20	DDGD	
C[C@H]1CCCN1CCNC(=O)NNc1ccc(F)c(C(=O)O)c1	1604738287	MTUJIYCKUXIAHG-JTQLQIEISA-N	324.356	1.634	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1ccnc(C(=O)O)c1	1610700892	WKOZDXZYFIOOFF-UHFFFAOYSA-N	313.317	1.594	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H](N)CCCCC#N	1578879532	AMSIWOJUHBCZNH-LBPRGKRZSA-N	304.350	1.328	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H]1CCN[C@H]1CC	1578276561	FTZISXKFNVYWCG-KBPBESRZSA-N	319.405	1.163	50	20	DDGD	
CC(C)(N)CNC(=O)[C@@]1(c2ccccc2)C[C@@H]1Br	1575354538	XSRFNIBIRHARAW-SMDDNHRTSA-N	311.223	1.945	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)[C@@H]2CCCNC2)CCc2ccccc21	1576349714	HBHWJIGQUJLQKP-DYVFJYSZSA-N	301.390	1.038	50	20	DDGD	
CCC(CC)(C(=O)O)C(=O)NNC(=O)COc1cccc(C)c1	1573785651	WDXURICEDQJIII-UHFFFAOYSA-N	322.361	1.412	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cc(C)[nH]n1)C2	1845165697	AWCFPFXOVWQLPA-LLVKDONJSA-N	324.812	1.553	50	20	DDGD	
O=C(C1=COCCC1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843366563	GEBAZQWPKXCMEM-NSHDSACASA-N	316.760	1.419	50	20	DDGD	
Cc1cc(C(=O)N2CC3(CCCN3C(=O)[C@@H](F)Cl)C2)n[nH]1	1843364885	JHJAQFNWSIZUBN-SNVBAGLBSA-N	314.748	1.070	50	20	DDGD	
COC1(CNC(=O)NNc2ccc(F)c(C(=O)O)c2)CCC1	1599089619	JPXBGXPHRWKTAE-UHFFFAOYSA-N	311.313	1.719	50	20	DDGD	
O=C(COc1ccc(-c2nn[nH]n2)cc1)NN=C[C@H]1CC12CC2	1592890637	MQVJTPPACKUDFR-LLVKDONJSA-N	312.333	1.148	50	20	DDGD	
CCc1oc(C=NNC(=O)CCN(CC)CC)cc1C(=O)O	1597792942	MSSWKVPWDOHVOV-UHFFFAOYSA-N	309.366	1.722	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)C[C@@H](C)n1cccn1	1599377150	MIYLWPOGJHNLQN-SNVBAGLBSA-N	318.333	1.684	50	20	DDGD	
COc1ccc(NC(=O)NN=Cc2c(C(=O)O)cnn2C)cc1	1776077529	ARXFXMKUTYISKY-UHFFFAOYSA-N	317.305	1.283	50	20	DDGD	
O=C(NN=Cc1c[nH]c2c(C(=O)O)cccc12)c1ccnnc1	1776081618	XRYCDYNXIMCPGV-UHFFFAOYSA-N	309.285	1.420	50	20	DDGD	
O=C(COC(=O)CC1CCCC1)NNC(=O)c1cccs1	11029459	PDZJPDSDDFBZAZ-UHFFFAOYSA-N	310.375	1.633	50	20	DDGD	
CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)Br)C2	1795762776	NORBFWLXYAJKAG-CZULRBLNSA-N	303.200	1.428	50	20	DDGD	
COc1ccnc(NNC(=O)/C=C/c2ccc(Cl)nc2)n1	151943444	KTKDMXGHLLWZCW-HWKANZROSA-N	305.725	1.690	50	20	DDGD	
CN1C(=O)c2ccc(C(=O)NNc3cccc(C#N)c3)cc2C1=O	152434408	YOJYEOHBRQLCIJ-UHFFFAOYSA-N	320.308	1.541	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(OC(C)(C)C)cc2)[nH]n1	153203679	WQIMPDUEMVMLAC-UHFFFAOYSA-N	316.361	1.970	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccccc1N1CCCC1	155580555	QDFOJVJIEZRWOK-UHFFFAOYSA-N	305.382	1.001	50	20	DDGD	
C[C@@H](O)C[C@@H](CNC(=O)NNC(=O)C(C)(C)C)c1ccccc1	155597058	GSNKSVGKNFSABW-OCCSQVGLSA-N	321.421	1.918	50	20	DDGD	
Cc1nc(N(C)C)sc1C(=O)NNC(=O)c1ccccc1O	154815343	NKBMZNYACUZPFQ-UHFFFAOYSA-N	320.374	1.298	50	20	DDGD	
COc1ccc(NNC(=O)c2cccc(C[S@@](C)=O)c2)nc1	159368592	QHSKSINYGULFDM-QFIPXVFZSA-N	319.386	1.726	50	20	DDGD	
O=C(O)[C@@H](NS(=O)(=O)CBr)c1ccccc1	309536546	CUXBQCTVDIKFMG-QMMMGPOBSA-N	308.153	1.084	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=O)c2ccc(C#N)cc2)s1	50630334	FQHXFBWUCSUEJS-UHFFFAOYSA-N	314.370	1.960	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)c1cccc(Cl)c1)N(C)C1CC1	171696792	WYHNCFIAMGFQIH-SNVBAGLBSA-N	324.812	1.767	50	20	DDGD	
Cc1cccnc1CNC(=O)NNC(=O)Cc1ccc(F)cc1	105287602	IRSPMCLXYOWYFD-UHFFFAOYSA-N	316.336	1.602	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)CC2=CCCCC2)C[C@@H](C)O1	111545207	RSBFWBYVPWHOEF-OKILXGFUSA-N	323.437	1.524	50	20	DDGD	
CCCOc1cccc(C(=O)NNC(=O)Cc2cc[nH]n2)c1	106417658	GAAOBLRYZPDFFC-UHFFFAOYSA-N	302.334	1.202	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1cc2ccccc2o1	177727783	WPLRRWZGIPRYNJ-WZRBSPASSA-N	300.314	1.761	50	20	DDGD	
Cc1cc(C)c(S(=O)(=O)NNC(=O)[C@@H]2CCCO2)c(C)c1	55590256	BVJULXMEWRARDW-LBPRGKRZSA-N	312.391	1.100	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnc3onc(C)c3c2)o1	174338216	LLEHYOXLWQXRIM-UHFFFAOYSA-N	300.274	1.507	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@H]1C[C@H]1C1CC1	177610203	LEJLZKQLLGNNLU-NWDGAFQWSA-N	304.346	1.268	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)[C@H](NC(=O)c1ccco1)C(C)C	66573905	HHMFRQRUBPROAN-CQSZACIVSA-N	323.393	1.618	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)Cc1ccncc1)C(C)(C)C	177563240	FMQLPBWIRSUJSN-LBPRGKRZSA-N	308.382	1.016	50	20	DDGD	
CC1CCC(CNC(=O)NNC(=O)Cc2cccnc2)CC1	170887959	USNKXULQENFRPV-UHFFFAOYSA-N	304.394	1.781	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N2CC[C@]3(CCOC3)C2)c1	119644751	QITPCIOKEOADKC-INIZCTEOSA-N	314.345	1.025	50	20	DDGD	
CN(CC(=O)NNC(=O)Cc1ccccc1F)c1ccccc1	66839983	WFWYYNLGRJETEJ-UHFFFAOYSA-N	315.348	1.652	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2ccc(Cl)cc2Cl)CCN1	178879976	YULQCRIJGXBDPM-ZETCQYMHSA-N	302.161	1.963	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@H]1CCC[C@H](C(F)(F)F)C1	404935791	HVXLUBNOHHGHAQ-UWVGGRQHSA-N	315.100	1.674	50	20	DDGD	
CSC(C)(C)CNC(=O)NNC(=O)c1ccc(C#N)cc1	176081081	CWRIYQACVNLZJP-UHFFFAOYSA-N	306.391	1.644	50	20	DDGD	
C[C@@H](CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)c1ccccc1	68742260	BKOWMEDKDKHNQL-DZGCQCFKSA-N	324.446	1.673	50	20	DDGD	
O=C(CCCc1nc2ccccc2c(=O)[nH]1)NNc1ccncc1	180456343	PTVPSKRGIDVNRU-UHFFFAOYSA-N	323.356	1.784	50	20	DDGD	
Cc1cc(C)cc(-n2nc(C(=O)NNC(=O)N(C)C)cc2C)c1	180186876	FYHUIUNPZVFULE-UHFFFAOYSA-N	315.377	1.714	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1ccc(-n2nccn2)cc1	184056458	JILKNAWSNKDKJZ-UHFFFAOYSA-N	323.316	1.129	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H](CC)SC	127485380	HLZHITOQZFLFSB-CYBMUJFWSA-N	310.419	1.917	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1c(C)cc(C)nc1Cl	181851440	LBKQHOLICCPEGV-UHFFFAOYSA-N	314.773	1.332	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2n[nH]c3c2CCCC3)n1	188959837	GYFYCHMHYDVYJO-UHFFFAOYSA-N	316.365	1.081	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2nc(-c3ccncc3)no2)n[nH]1	76453170	NMFSRYAQEKAQBP-UHFFFAOYSA-N	313.321	1.735	50	20	DDGD	
CCn1nc(C)c(NC(=O)C(=O)NNc2ccccc2)c1C	185214269	HSJUBKSVJMRGPN-UHFFFAOYSA-N	301.350	1.602	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1C(=O)NNC(=O)c1cccnc1	77542371	JGPGPBDRSQEZDD-UHFFFAOYSA-N	301.350	1.187	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccc(=O)[nH]n1	128950952	YSCHLCOECRPGLS-UHFFFAOYSA-N	316.214	1.685	50	20	DDGD	
C[C@H]1OCCN(C(=O)NNC(=O)CCCc2ccccc2)[C@@H]1C	120189306	MXTKGAOGZGKXFQ-ZIAGYGMSSA-N	319.405	1.859	50	20	DDGD	
CC(=O)c1ccc(NC(=O)C(=O)NNc2ccccn2)cc1C	181409177	JAPGLHQSNQAGOF-UHFFFAOYSA-N	312.329	1.674	50	20	DDGD	
CC[C@H](CSC)NC(=O)NNC(=O)c1cccc(N(C)C)c1	181454804	URLOFCPPRURSNM-GFCCVEGCSA-N	324.450	1.838	50	20	DDGD	
Cn1nnc2cc(C(=O)NNc3cccc4c3CCCC4)cnc21	183425895	AJIOITRRJHCKQY-UHFFFAOYSA-N	322.372	1.999	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cccc(OC(F)F)c2)[nH]1	124754150	LVOXNQGEPLXRGK-UHFFFAOYSA-N	320.255	1.563	50	20	DDGD	
CC(C)CCn1cc(C(=O)NNc2ccc(Cl)nn2)nn1	129666935	YFFHNAQDYUTDNJ-UHFFFAOYSA-N	309.761	1.525	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NNc1nccnc1OC	186449200	FFMTWGMEWOJMDB-VXGBXAGGSA-N	308.382	1.914	50	20	DDGD	
CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NNc1ccncc1	180527830	XUDHMIRLYGCSGA-LBPRGKRZSA-N	322.434	1.862	50	20	DDGD	
O=C(CNC(=O)OCc1ccccc1)NNc1ccnc(F)c1	182412862	NPOPQUISZZDMEW-UHFFFAOYSA-N	318.308	1.590	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)Cc2ccc(F)cc2Cl)nn1	132413563	LPAPRFOLIZORAD-UHFFFAOYSA-N	323.715	1.054	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N[C@@H]1CC12CCCCC2	180345447	MDGMSQNBACDMDR-CYBMUJFWSA-N	302.378	1.677	50	20	DDGD	
NC(=O)c1ccc(NC(=O)NNc2ccc([N+](=O)[O-])cc2)cc1	194747814	SYROTCWLHYJDQT-UHFFFAOYSA-N	315.289	1.842	50	20	DDGD	
CSc1ccc(S(=O)(=O)NNC(=O)C(C)(C)C)cc1	194863589	SGCTUYXVAXLWFF-UHFFFAOYSA-N	302.421	1.764	50	20	DDGD	
O=C(Cn1cccn1)NNc1ccc(OC(F)(F)F)cc1	134256979	HSQOBQKXQPHQPF-UHFFFAOYSA-N	300.240	1.925	50	20	DDGD	
CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NNc1ncccn1	131726904	XLIUYZXJWGSAOJ-LLVKDONJSA-N	305.382	1.347	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)NCC1CC1	45460410	AKXLBMVZILAFHV-UHFFFAOYSA-N	307.350	1.205	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2)n1	237286015	WAEUQBRUZZAPGW-WOPDTQHZSA-N	305.382	1.157	50	20	DDGD	
CN(C)C(=O)c1cc(NC(=O)NNc2cnccn2)ccc1F	92928092	GUBYREXNSFPRFT-UHFFFAOYSA-N	318.312	1.466	50	20	DDGD	
C#CCOc1ccc(F)cc1NC(=O)NNc1cnccn1	92765475	FIMNVYQREWKGDP-UHFFFAOYSA-N	301.281	1.776	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@H](C)N2CCC[C@@H](C)C2)n1	249522476	OIJXVKCRLPKDKL-RISCZKNCSA-N	320.441	1.840	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12	246487432	BEWYTZGAURTNMA-WMHQRMGPSA-N	313.401	1.994	50	20	DDGD	
Cn1nc2c(cc1=O)CN(/C(=C\C#N)c1ccc(F)cc1)CC2	255141969	XDSKWIDDGRPPCW-SOFYXZRVSA-N	310.332	1.842	50	20	DDGD	
Cc1cc(C(=O)NN=c2sc3ccccc3n2C)n(C)n1	255865865	OOMJAXAZKOIFAJ-UHFFFAOYSA-N	301.375	1.527	50	20	DDGD	
CCCN(CC)c1ccc(C(=O)NNC(=O)C2CCC2)cn1	264676228	HZIPLERXPYXQOC-UHFFFAOYSA-N	304.394	1.879	50	20	DDGD	
COCCC(=O)NNc1nc(-c2ccccn2)nc2c1CCC2	267120917	DFMYNUWUOBFWJF-UHFFFAOYSA-N	313.361	1.507	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)NC1CC(C)C1	267972499	FFKJTZCRNQQGJK-UHFFFAOYSA-N	307.350	1.203	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNC(=O)Nc1ccccc1C	269826937	KPEPLDMJNSRGSW-UHFFFAOYSA-N	322.365	1.674	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)COc1ccc(OC)cc1	268356185	SFJDXCNEIKBEIS-UHFFFAOYSA-N	319.361	1.208	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCOC1)Nc1ccc(OC(F)F)cc1	266569653	XHUKBKGQGMPCRN-QMMMGPOBSA-N	315.276	1.477	50	20	DDGD	
CN(CCNC(=O)NNc1ncnc2ccsc12)C1CC1	268895829	PVQJQXJUKOYZME-UHFFFAOYSA-N	306.395	1.412	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@@]2(C)CCO[C@@H]2C2CC2)nc1	363988936	YWPWFEOKQDWLRK-GDBMZVCRSA-N	320.393	1.922	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCc1cccnn1)c1ccccc1	278099522	YSVNDSDYJFUFNI-CQSZACIVSA-N	313.361	1.501	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@H]1CCCN1C1CC1	279975249	URUVFVBUEQYLJV-LLVKDONJSA-N	303.391	1.761	50	20	DDGD	
CCN1CCCN(C(=O)[C@H](Br)C(C)(C)C)CC1=O	364920823	HRHHNMJSJAORQP-NSHDSACASA-N	319.243	1.877	50	20	DDGD	
N#CC1=CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	273198140	SCOYBURQYFGHRA-UHFFFAOYSA-N	321.358	1.524	50	20	DDGD	
CC(C)OCCC(=O)NNC(=O)CSc1ccccc1O	270725856	SJFVGMAOMRRKHX-UHFFFAOYSA-N	312.391	1.447	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H]1CCO[C@H](C)C1	271274609	PBRCNSDZVHIWJK-GHMZBOCLSA-N	307.350	1.207	50	20	DDGD	
CSc1nnc(CNS(=O)(=O)CBr)s1	275676413	YHGQJQJWGMQCLA-UHFFFAOYSA-N	318.243	1.032	50	20	DDGD	
CC1(C)OCC(C)(C(=O)NNC(=O)c2ccccc2F)CO1	271707594	VFYYWNHEJRHZGA-UHFFFAOYSA-N	310.325	1.376	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)COc2ccc(F)cc2)cn1	272941185	NUJQOXPVUGPVIT-UHFFFAOYSA-N	320.324	1.272	50	20	DDGD	
CC[C@@H]1C[C@H](C(=O)NNC(=O)COc2ccccc2O)CCO1	272553208	PRPCXXOBQMKUBN-VXGBXAGGSA-N	322.361	1.124	50	20	DDGD	
CC(=O)N[C@H](CC1CCC1)C(=O)NNc1nc(C)cc(C)n1	279836722	ZMWKOYXIMTYYJU-CYBMUJFWSA-N	305.382	1.231	50	20	DDGD	
CC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CC(C)C)cc1C	274151414	KYCYKCLGJAKUAZ-UHFFFAOYSA-N	319.361	1.330	50	20	DDGD	
CSC1(CNC(=O)NNC(=O)COc2cccc(C)c2)CC1	279970979	JCBHJGMITHXECP-UHFFFAOYSA-N	323.418	1.600	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)CCc2ccccc2O)CCO1	272119209	SQQIZRNXPRTVMA-AAEUAGOBSA-N	306.362	1.287	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(C)cc1	376644661	ROBAQVSRWZIZSY-ZDUSSCGKSA-N	319.361	1.263	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)Nc1ccc2c(c1)OCO2	374834805	UWUMFLFZVLTOJK-MXWKQRLJSA-N	319.317	1.136	50	20	DDGD	
COCC1(CNC(=O)NNc2nc3ccccn3n2)CCC1	282131567	FLTLWSDZRMRCJZ-UHFFFAOYSA-N	304.354	1.172	50	20	DDGD	
O=C(NC[C@@H]1COC2(CCCC2)O1)NNc1cccc(F)n1	286616233	CGTKGRQKDITUQO-SNVBAGLBSA-N	310.329	1.533	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(F)cc2cccnc12	295365696	JOXIDHSXLWROHY-CYBMUJFWSA-N	317.320	1.704	50	20	DDGD	
C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)NNc1ncncc1F	294002993	MHNDCXZKRLZQJR-ZUZCIYMTSA-N	304.325	1.614	50	20	DDGD	
COC1CCN(CCNC(=O)NCCSSC)CC1	807227063	WJPQGZVVRMYCCV-UHFFFAOYSA-N	307.485	1.408	50	20	DDGD	
CC(C)[C@H](NC1CCOCC1)C(=O)NNc1ncccc1F	807670007	YXHKHAJPGLAJEQ-ZDUSSCGKSA-N	310.373	1.457	50	20	DDGD	
CCCN(CC)CCNC(=O)NNc1ncc(F)cc1F	298108900	YMRNNBTVEVNKNG-UHFFFAOYSA-N	301.341	1.718	50	20	DDGD	
CCc1[nH]ccc1C(=O)OCC(=O)NNC(=O)c1cccs1	803776973	LKMGJIBLYNOWHL-UHFFFAOYSA-N	321.358	1.257	50	20	DDGD	
O=C(CCNc1ccccc1[N+](=O)[O-])NNC(=O)CC1CC1	294068688	GXSQSNLTYZZTJA-UHFFFAOYSA-N	306.322	1.344	50	20	DDGD	
CCn1cc([C@@H](C)NC(=O)NNC(=O)c2ccc(C)s2)cn1	296223248	FEKNESXMJTVJHT-SNVBAGLBSA-N	321.406	1.978	50	20	DDGD	
Cc1cc(=O)cc(C)n1CCCC(=O)NNc1cccc(F)n1	290798144	FBKAFHPADOEBSZ-UHFFFAOYSA-N	318.352	1.923	50	20	DDGD	
O=C(COC(F)F)NNC(=O)Cc1ccc2ccccc2c1	803166145	JLJCNVWRFMJDBL-UHFFFAOYSA-N	308.284	1.769	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1cccnc1)Nc1cc(F)cc(F)c1	802002903	CGYVYPBHCQNEBA-GFCCVEGCSA-N	322.271	1.246	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1ccnc2ccncc12	807080155	PUHIBKYCOHRTGJ-UHFFFAOYSA-N	320.352	1.942	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(NC(=O)C(C)(C)C)nc1	297212769	XACVKGARLFVCEG-UHFFFAOYSA-N	308.382	1.289	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1c(O)cccc1O	807507616	QNODADPGRWIXLM-UHFFFAOYSA-N	311.297	1.696	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)CC1(F)F	817600007	KCFAGIGCPNVHSU-LBPRGKRZSA-N	313.260	1.613	50	20	DDGD	
CCOCC(=O)NN=C(C)c1nnn(-c2ccc(F)cc2)c1C	814841445	CHNWRMDFSULKIW-UHFFFAOYSA-N	319.340	1.592	50	20	DDGD	
CO[C@@H]1CCC[C@@H](C(=O)NNC(=O)CCc2ccccc2)C1	814408627	WJKNSENMTHBRGM-HUUCEWRRSA-N	304.390	1.972	50	20	DDGD	
CC(C)OCCONC(=O)NNc1ncnc2ccsc12	812949071	MXFACHHGDJSXJY-UHFFFAOYSA-N	311.367	1.674	50	20	DDGD	
Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NN(C)C1CC1	819647284	KWZIWWKHDIFUBR-CQSZACIVSA-N	318.356	1.030	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNC(=O)c1cccc(OC(F)F)c1	810344072	DFONNEIWODWILD-AWEZNQCLSA-N	314.288	1.376	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@H]1CCC[C@H](OC)C1	814407346	YTRHMAPKDKESRG-KBPBESRZSA-N	320.389	1.590	50	20	DDGD	
C[C@H](CSc1ccc(F)cc1)C(=O)NNc1cnnn1C	816770785	LQKHCCVSIOHHJA-SECBINFHSA-N	309.370	1.826	50	20	DDGD	
CCOc1ccc2c(c1)C(=NNC(=O)N1CCOCC1)CCO2	814820808	CIRNBTKENLWGQS-UHFFFAOYSA-N	319.361	1.614	50	20	DDGD	
CCOc1ccc(SCC(=O)NNc2cnnn2C)cc1	816770224	OONWRNLBWLSYIR-UHFFFAOYSA-N	307.379	1.449	50	20	DDGD	
O=C(NN=C1CC(C(=O)O)(c2ccccc2)C1)[C@@H]1CCOC1	814914519	KLCMVUMHYRBZCT-ZVDHGWRTSA-N	302.330	1.312	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@@]1(C)CC1(F)F	817709555	VNIDRRISPKNYNC-CYBMUJFWSA-N	313.304	1.300	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@@](C)(O)c1ccc(Cl)cc1	814795387	CWQHRMGULZFOKD-HNNXBMFYSA-N	321.764	1.347	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1	819131961	SFNKVJUFBZANKH-GFCCVEGCSA-N	307.394	1.115	50	20	DDGD	
CC1CCN(C[C@@H](C)C(=O)NNC(=S)NC2CCC2)CC1	814191596	MDUHGBVCTKRVNA-GFCCVEGCSA-N	312.483	1.402	50	20	DDGD	
CC1(C)Cc2cc(C=NNC(=O)CN3CCCC3=O)ccc2O1	729143141	CPEHRYDKIUHQAI-UHFFFAOYSA-N	315.373	1.473	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C2(C)CCOCC2)cc1	726798007	GAECHIQZBPIMDQ-UHFFFAOYSA-N	321.377	1.071	50	20	DDGD	
CCOCC(=O)NN=C1CCCc2cc(-c3nn[nH]n3)ccc21	821368263	RYURENLYKRVVGL-UHFFFAOYSA-N	314.349	1.060	50	20	DDGD	
Cc1nnc(S)n1CCNC(=O)[C@]1(C)C[C@@H]1Br	825295856	SNVTZJRJDPLAJF-OIBJUYFYSA-N	319.228	1.165	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)[C@@H]2CCCO2)cc1	729690700	GXCGJEPJTLVDHU-LBPRGKRZSA-N	308.407	1.249	50	20	DDGD	
C[C@@]1(CNC(=O)/C(C#N)=C\c2ccc(F)cc2)CCC(=O)N1	491176175	NYOIGSULOGNXLA-LJEUOOAZSA-N	301.321	1.518	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C1(Cc2ccccc2)CCOCC1	828778931	IUYWDUAGIZVYLQ-UHFFFAOYSA-N	319.405	1.718	50	20	DDGD	
CCc1nocc1C(=O)NNC(=O)c1ccc2c(c1)OCCO2	820114925	VQPPSKNJRWMEKX-UHFFFAOYSA-N	317.301	1.083	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNc1ccc(C#N)cc1	496678368	IVTBLWKFKPQLBG-GWCFXTLKSA-N	304.350	1.772	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNC(=O)OC(C)(C)C)nc1	495715166	GPZIETRBWBAGDI-UHFFFAOYSA-N	309.322	1.428	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H]2CCCCN(C)C2=O)c1	821169647	ZHGFVJOGMDAXCJ-ZDUSSCGKSA-N	309.341	1.536	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2ccccc2CC(=O)O)n1	820972830	YSIUCRUKYQWDHW-UHFFFAOYSA-N	315.333	1.869	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)COc1cc(C)cc(C)c1	822194737	ORWISYRBBHKGFM-CABCVRRESA-N	318.373	1.421	50	20	DDGD	
CCn1c(SCC(=O)NN(C)[C@@H](C)CO)nc2ccccc21	823988047	OORXSPHCCRDPRY-NSHDSACASA-N	322.434	1.492	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1cnc(C)nc1C	494540906	WTQNLJGEIFTKCW-UHFFFAOYSA-N	321.381	1.458	50	20	DDGD	
Cc1cc(NNC(=O)CCc2cccc(N(C)C)c2)nc(N)n1	828370870	BEDIKCGFUAYWJM-UHFFFAOYSA-N	314.393	1.509	50	20	DDGD	
CCN(CC(=O)NN(C)[C@@H](C)CO)Cc1ccccc1Cl	823927823	HAAPWXIRUGSGPG-LBPRGKRZSA-N	313.829	1.506	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1Cc2cccc(F)c2C1	827258887	FPWVQDFYMFUIDF-KOLCDFICSA-N	307.325	1.307	50	20	DDGD	
C[C@@H]1CN(CCNC(=O)NNc2ccccc2Cl)CCO1	726260123	PZGPLYZQUXCESO-LLVKDONJSA-N	312.801	1.687	50	20	DDGD	
CSc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)o1	826230291	MRIWMGYGXRSZOI-UHFFFAOYSA-N	316.346	1.939	50	20	DDGD	
CCO[C@@H]1COCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(O)cc1	491044021	AZVDOIVOKXKRKN-LXUUZPSESA-N	316.357	1.609	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@H]1C[C@@H](c2ccccc2)OC1=O	496512064	KSVJFEDBCKKSHU-NEPJUHHUSA-N	320.345	1.847	50	20	DDGD	
CCSc1cccc(CNCc2ccccc2B(O)O)c1	585044044	YUDHGGKWFWXYRQ-UHFFFAOYSA-N	301.220	1.768	50	20	DDGD	
C[C@H](Oc1ccccc1)C(=O)NNC(=S)NCC1CCC1	727866500	LBSSXKGBAUCFOS-NSHDSACASA-N	307.419	1.749	50	20	DDGD	
CCOC(=O)NNC(=O)CCCC(=O)c1cccc(OC)c1	497242502	GYNBHOKFJUNFAI-UHFFFAOYSA-N	308.334	1.826	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC[C@@H](c2cccnc2)C1	827260108	OGHBHOWCLAYZOO-IACUBPJLSA-N	318.377	1.037	50	20	DDGD	
CC1(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCOCC1	824783276	FEJJLPNTLVAOGW-UHFFFAOYSA-N	302.338	1.127	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccnn1-c1cc(C)ccn1	492768007	KVSBOYFJQLNTIQ-UHFFFAOYSA-N	304.310	1.358	50	20	DDGD	
CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NNc1ccccn1	494726177	MUVLBIVOUIWQOE-SNVBAGLBSA-N	324.406	1.835	50	20	DDGD	
C#CCN(CC(=O)NNC(=O)C(C)C)Cc1ccc(F)cc1	491253702	PHRUWSSUVDZKCS-UHFFFAOYSA-N	305.353	1.064	50	20	DDGD	
CN(NC(=O)Nc1ccc(F)cc1CS(C)(=O)=O)C1CC1	824233748	OAMPPYMDTVQKQD-UHFFFAOYSA-N	315.370	1.501	50	20	DDGD	
C[C@H]1CCC[C@@](CNC(=O)NNC(=O)C2CCC2)(N(C)C)C1	732450013	MZFULSSSMKZSDJ-BLLLJJGKSA-N	310.442	1.627	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C=C2CCC2)o1	820203362	SPBCKDDZAYIZLW-UHFFFAOYSA-N	303.326	1.532	50	20	DDGD	
CC(C)OCCCNC(=O)/C(C#N)=C/c1ccc(C(=O)O)[nH]1	827026954	AVXKDIVWVNIHPT-DHZHZOJOSA-N	305.334	1.551	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)[C@H]1COCCC1=NN(C)C(N)=O	495326216	HYWJCUAFIKZYGE-NXEZZACHSA-N	314.386	1.303	50	20	DDGD	
CC(C)N(C)c1ccc(/C=C(/C#N)S(=O)(=O)N(C)C)cn1	588615888	HEFHWNLQPHRXIF-JYRVWZFOSA-N	308.407	1.682	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1c(C)cc(Cl)cc1C	901612307	AIRUEOAOZDGAJW-UHFFFAOYSA-N	319.814	1.859	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cnn(C)c1Cc1ccccc1	495764673	XMYUHSIIOBDUQU-UHFFFAOYSA-N	302.334	1.354	50	20	DDGD	
CCSCC[C@@H](C)NC(=O)NNC(=O)[C@H]1CCCCO1	836334082	KFBFDJHKJPZFAN-GHMZBOCLSA-N	303.428	1.418	50	20	DDGD	
Cc1cc(C)n([C@H](C)CC(=O)NNC(=O)[C@@H]2CCCCO2)n1	833254975	APVPRAREAHKJRF-OLZOCXBDSA-N	308.382	1.168	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)COCC1CCCC1	839734077	NHIOMJQQDAWWBB-UHFFFAOYSA-N	316.398	1.130	50	20	DDGD	
CC(C)(C(=O)NN[C@H](C(N)=O)c1ccccc1)c1ccccc1	731219400	RYIKNSWQSHHXSO-HNNXBMFYSA-N	311.385	1.812	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@@H](C)[C@@H](C(=O)O)C1	833016376	UWMPRVCMYHFWBP-KCJUWKMLSA-N	313.785	1.531	50	20	DDGD	
O=C1NCC[C@H]1C(=O)NNc1ccc(Br)c(F)c1	832356126	DLEIEHQUHVFZSC-SSDOTTSWSA-N	316.130	1.167	50	20	DDGD	
Cc1cc([C@H]2CCCN2[C@H](C)C(=O)NNC(=O)CC(C)C)no1	732196646	MFNCYORJBBRRDS-TZMCWYRMSA-N	322.409	1.702	50	20	DDGD	
NC(=O)C1(C(=O)NNc2cc(F)ccc2Br)CC1	839880301	BZSSHYOTPYQDSE-UHFFFAOYSA-N	316.130	1.297	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@@H]1C[C@H]2CCCCN2C1=O	838745419	UBRDSCRUVJTQGJ-DGCLKSJQSA-N	320.368	1.914	50	20	DDGD	
COCCOc1ccc(NCc2ccccc2B(O)O)c(C)c1	585012194	OUCTXSVVZZLPLQ-UHFFFAOYSA-N	315.178	1.312	50	20	DDGD	
O=C(CCc1nc(O)c2ccccc2n1)NNc1cccnn1	736710514	GSYDHFJKDNPBON-UHFFFAOYSA-N	310.317	1.201	50	20	DDGD	
CC(C)Cc1ncc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cn1	831760163	UHCXYUKIIRHOHE-ZYHUDNBSSA-N	321.381	1.253	50	20	DDGD	
CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cc(B(O)O)ccc1F	584951601	XNLHQWDCLZECFJ-ABAIWWIYSA-N	307.174	1.546	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](c2ccccc2F)C1	732201673	JZKNENNYCJYKSV-NWDGAFQWSA-N	307.369	1.561	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCCCN(C)C)cc1F	837050822	UVABLPDQSTXCHM-UHFFFAOYSA-N	311.357	1.787	50	20	DDGD	
CC(=O)N1CCC[C@@H](C(=O)NNc2nccc3sccc23)C1	734248637	YHJOAOOSKGZFBO-LLVKDONJSA-N	318.402	1.998	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCCCCC1)c1cnn(C)n1	834932106	AMRCICFZTSKEBX-LBPRGKRZSA-N	306.414	1.167	50	20	DDGD	
Cc1cnc(C=NNC(=O)[C@H](C)CN2C[C@H](C)O[C@@H](C)C2)s1	834935826	WRAZICCVKJMFOC-WOPDTQHZSA-N	324.450	1.647	50	20	DDGD	
Cc1cc(O)nc(CNC(=O)[C@]2(C)C[C@H]2Br)n1	911863149	JUGJRJKCBONXDX-RDDDGLTNSA-N	300.156	1.280	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1ccc2c(c1)OCO2)C1CCOCC1	834918501	WJHBYLBTHYLZRI-HNNXBMFYSA-N	320.345	1.573	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H]1c2c[nH]nc2CC[C@H]1C)C1CC1	912161179	QLIASRMXXAZXRY-VYUIOLGVSA-N	321.450	1.369	50	20	DDGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](CC(=O)O)C1	833061525	CPLNSOFOELQPKI-XJHOQXEQSA-N	317.301	1.635	50	20	DDGD	
CC[C@@H](C)n1ncc2c(C(=O)NN(C)C[C@@H](C)O)cc(C)nc21	910165904	PZEBWJNBBJEITQ-VXGBXAGGSA-N	319.409	1.668	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)c(Cl)c1	833250661	JOHRQVWBUALHQT-LBPRGKRZSA-N	312.753	1.679	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)c1ccccc1OC)C(C)C	743636888	HHPGZIGAKMSRHK-GFCCVEGCSA-N	309.366	1.310	50	20	DDGD	
C[C@@H]1CCc2[nH]nc(C(=O)NNC(=S)N[C@H](C)C3CC3)c2C1	912162503	WVDFDLPAWRLWSP-RKDXNWHRSA-N	321.450	1.442	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNC(=O)c1cccc2cccnc12	747409554	GULZLSUWDOZCBW-ZRDIBKRKSA-N	310.313	1.440	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2ccccc2[N+](=O)[O-])nc1	914845929	CPNZYOHEDDFRNX-UHFFFAOYSA-N	302.246	1.445	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNc1ccnc(N(C)C)n1	740102983	SUVDLKRGYCLQRU-JTQLQIEISA-N	319.340	1.592	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)COc1cc(Cl)ccc1Cl	910180586	WNEOAINSRWDEPP-MRVPVSSYSA-N	307.177	1.716	50	20	DDGD	
CC(C)(C)C(=O)Nc1nccnc1C(=O)NNC(=O)C1CCC1	742665537	PFKBDMATQIXVNB-UHFFFAOYSA-N	319.365	1.022	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)c[nH]1	748722386	SYKMVMCXUXRQHL-UHFFFAOYSA-N	323.696	1.432	50	20	DDGD	
O=C(NNc1nc(-c2ccccn2)nc2c1CCC2)c1cnc[nH]1	748337597	JFTBSRYADFBSTB-UHFFFAOYSA-N	321.344	1.507	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cccc(OC2CCCC2)c1	917541012	JEBYPINMNAMDMW-UHFFFAOYSA-N	317.389	1.983	50	20	DDGD	
CCN(CC(=O)NNc1ncc(Br)cn1)C1CC1	848321271	OAGAWYUXUXANGQ-UHFFFAOYSA-N	314.187	1.167	50	20	DDGD	
O=S(=O)(CBr)NCc1cc(Cl)ccc1O	845997052	WWSNLNXXFXRNGX-UHFFFAOYSA-N	314.588	1.817	50	20	DDGD	
CCC(C)(C)N1CCN(C(=O)/C(C#N)=C/c2cnn(C)c2)CC1	848300289	DQPYAJFRAMOGEL-XNTDXEJSSA-N	315.421	1.660	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)NC1CCCCC1)C(=O)OC(C)(C)C	840237914	SFFDHWYLAUPSHZ-JTQLQIEISA-N	313.398	1.627	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@@](C)(C(=O)O)c1ccccc1	846127315	MKBNEDJHNDOFLN-MRXNPFEDSA-N	321.377	1.405	50	20	DDGD	
CC(=O)N1CC[C@@](C)(C(=O)NNC(=O)c2ccccc2C)C1	746818966	IPPZHXWWQYKYIT-MRXNPFEDSA-N	303.362	1.015	50	20	DDGD	
CCO[C@H](C(=O)NNc1ccnc(N(C)C)n1)c1ccccc1	740114041	NXCBMKKNTILJSP-AWEZNQCLSA-N	315.377	1.764	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H]2CCc3cncn3C2)n1	844134930	PMSLUCCJWICAAQ-SECBINFHSA-N	306.757	1.341	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCCc2sccc2C1	744397850	FOJAHBDNZGOZMN-UHFFFAOYSA-N	309.435	1.690	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1CCCN1c1ncccn1	747348022	AZUPHYWOMUHEKY-JTQLQIEISA-N	307.354	1.001	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)[C@@H](C)CN1CCCCC1	749759354	SBXZTDJFJVSBNW-RYUDHWBXSA-N	300.472	1.402	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2cccc(C3CC3)c2)CC1	848373998	ANXKWWNSRPIEEN-UHFFFAOYSA-N	302.378	1.166	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1cc(F)ccc1O	740762926	OTZHCNHQUFSSRK-UHFFFAOYSA-N	309.341	1.676	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1ccc2c(c1)CCCO2	843660521	UFXNUESRHHFKQB-FZMZJTMJSA-N	318.373	1.127	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCc2sccc21)c1ncccn1	841350613	OHIBFXNRYZUODM-SNVBAGLBSA-N	302.359	1.419	50	20	DDGD	
C[C@H](C(=O)NNc1ccnc(N(C)C)n1)c1ccccc1F	740112547	NBYQATRVMXBZMC-JTQLQIEISA-N	303.341	1.929	50	20	DDGD	
C/C(=C\c1ccco1)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	848838155	WKCCUXFFPXTOSK-LMMOQWNQSA-N	322.361	1.808	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1c(C)cc(C)nc1C	923465035	UXNYHGQMOJDKLF-NSHDSACASA-N	307.350	1.110	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CC[C@H](C)CC1	846639888	QJSLGNWVSNODCJ-HAQNSBGRSA-N	300.399	1.749	50	20	DDGD	
Cn1ccnc1[C@@H](CC(=O)NNc1ccncn1)C(F)(F)F	848163477	KIOSDUMBVNSFHV-MRVPVSSYSA-N	314.271	1.389	50	20	DDGD	
CC(C)Cn1nccc1C(=O)NNC(=O)NCC(F)(F)F	843876010	HCMVOHXJMZHXLC-UHFFFAOYSA-N	307.276	1.045	50	20	DDGD	
C=C[C@](C)(O)C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	854239463	AHZMGIHNGRKBAF-VFZGTOFNSA-N	308.403	1.571	50	20	DDGD	
C[S@](=O)CCN1CCN(/C(=C\C#N)c2ccccc2)CC1	755949108	GFVBFLBOGCLWKX-KGSBYCFNSA-N	303.431	1.547	50	20	DDGD	
NC(=O)c1cc(C(=O)OC[C@@H](CBr)C2CC2)co1	859637550	SPKJWVIBOBJKFJ-SECBINFHSA-N	316.151	1.956	50	20	DDGD	
COc1ccnc(NNC(=O)c2c(OC)cccc2OC)n1	920213947	UAJCHRIJFPZBQM-UHFFFAOYSA-N	304.306	1.259	50	20	DDGD	
CC(C)c1noc(CCC(=O)NNC(=O)c2cccc(F)n2)n1	856422075	NHNGLDPXDYWAQR-UHFFFAOYSA-N	321.312	1.121	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cc(O)ncn1	858131799	IWCLZQXXKWQRNQ-UHFFFAOYSA-N	316.361	1.160	50	20	DDGD	
O=CN1CCC[C@@H]1C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	854782161	NCSSGDJPZWYYJF-LLVKDONJSA-N	312.713	1.312	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccccc2S(C)(=O)=O)nc1	753657452	VAJASYYBJNHTIP-UHFFFAOYSA-N	305.359	1.550	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1[C@@H]2CCC[C@@H]2C1(C)C	853278718	GYHGJLUURLSJGC-MJBXVCDLSA-N	307.438	1.883	50	20	DDGD	
CS[C@H]1CC[C@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	852152308	NNLNZFQBNGIBHW-IUCAKERBSA-N	312.370	1.449	50	20	DDGD	
Cc1ncsc1CCC(=O)NNC(=O)OCC(F)(F)F	856025878	CYWMDJCOONWLEN-UHFFFAOYSA-N	311.285	1.704	50	20	DDGD	
CN1Cc2ccccc2[C@H](NC(=O)NNC(=O)C2CCCC2)C1	757734346	QXESRVOZJWMTQA-OAHLLOKOSA-N	316.405	1.694	50	20	DDGD	
Cc1cc(=NC(=O)NNC(=O)c2ccc(Cl)cc2O)cc[nH]1	757808130	QIVPAIUBRASLIV-UHFFFAOYSA-N	320.736	1.637	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3)C[C@H]1Br	857105173	GDKWWIVOKBGIRO-LSCVPOLPSA-N	316.243	1.696	50	20	DDGD	
CCCn1nccc1C(=O)NNC(=O)c1cc2c(s1)CCC2	854202438	GVRSCIOMSNYPDQ-UHFFFAOYSA-N	318.402	1.918	50	20	DDGD	
COCCCOCCC(=O)NNc1ccc2c(=O)[nH]ccc2c1	854390075	YAUWWBLAVGDTTN-UHFFFAOYSA-N	319.361	1.414	50	20	DDGD	
COC[C@@H](OC)C(=O)NNC(=O)Nc1ccc(C)cc1Cl	854379425	BEPRPTMEGXXYBT-LLVKDONJSA-N	315.757	1.463	50	20	DDGD	
CS(=O)(=O)CCCCNC(=O)NNc1cc(F)ccc1F	922956026	WJMNXGXETKUQEX-UHFFFAOYSA-N	321.349	1.416	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](CC(C)C)N1CCCCC1=O	755111745	JKKMSACZVJPVFB-ZDUSSCGKSA-N	311.426	1.607	50	20	DDGD	
CN1C(=O)CC[C@@H]1CC(=O)NNc1nccnc1C1CCC1	854458807	SFHDQYLIBCTWFJ-LLVKDONJSA-N	303.366	1.198	50	20	DDGD	
N#CSCCCNC(=O)CNC(=O)NCc1ccc(F)cc1	854363207	QEVWABONOIIWDU-UHFFFAOYSA-N	324.381	1.345	50	20	DDGD	
O=C(NN=C[C@H]1CCC[C@H](C(F)(F)F)C1)C(=O)NC1CC1	853282899	VJMANMLCNWBZEA-IUCAKERBSA-N	305.300	1.736	50	20	DDGD	
O=C(COC(=O)C1CC2(CC2)C1)NNC(=O)c1cccs1	850215702	PCLBVOVGWGMOED-UHFFFAOYSA-N	308.359	1.243	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2c[nH]nc2C)c(OC)c1	755404122	IDAIJYNSLULZLR-UHFFFAOYSA-N	319.321	1.202	50	20	DDGD	
CC(C)Cn1[nH]c(CC(=O)NNc2cccc(F)c2F)cc1=O	935023801	NAOUQXAZWQAIJE-UHFFFAOYSA-N	324.331	1.796	50	20	DDGD	
COC[C@@](C)(NC(=O)NNc1nccc(OC)n1)C(F)(F)F	932332481	XNBAAHWIEJMLDB-SNVBAGLBSA-N	323.275	1.079	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cc[nH]n1)c1ccc(OC)cc1	855357978	XBIQPVBDQWVIOD-LBPRGKRZSA-N	302.334	1.373	50	20	DDGD	
CNC[C@H](C)NC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	851681071	MQHPBFLOLLYKSP-AAEUAGOBSA-N	322.409	1.009	50	20	DDGD	
C[C@@]1(CNC(=O)NC[C@@H](O)C(F)(F)F)C[C@@H]1Br	856954357	IZNMQBMTRQKAFJ-BBVRLYRLSA-N	319.121	1.382	50	20	DDGD	
CCc1cc(C(=O)NNc2nc(C)cc(OC)n2)c(C)nn1	759916221	WFNDSWWDWDHWIA-UHFFFAOYSA-N	302.338	1.211	50	20	DDGD	
Cc1nnccc1C(=O)NNC(=S)NCCc1cccs1	753276708	DSSMUOOPAZRSMF-UHFFFAOYSA-N	321.431	1.198	50	20	DDGD	
O=C(NCCC1CC(F)(F)C1)NNC(=O)c1cccc(F)n1	852376607	KFVLFTBQNNDTAK-UHFFFAOYSA-N	316.283	1.600	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCc2cnc[nH]2)c1C	855625590	XIVWKFNDAVJYKB-UHFFFAOYSA-N	302.334	1.581	50	20	DDGD	
Cc1cc(CNC(=O)NC[C@@]2(C)C[C@@H]2Br)n[nH]1	856835290	OSWVSRWOAXGZDB-GXSJLCMTSA-N	301.188	1.691	50	20	DDGD	
CC[C@@H](C)[C@@H](C)NCC(=O)NNC(=O)c1cccc(C#N)c1	754171969	XXCRVTGWMKGACY-VXGBXAGGSA-N	302.378	1.343	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C1CN(C(C)C)C[C@H]1C	754254489	MQUCTIMUYCQLTB-CYBMUJFWSA-N	319.405	1.906	50	20	DDGD	
O=C(NNC(=O)N1CCO[C@H](c2ccccc2)C1)C1CCCC1	753340870	YVDHSOMRKFPSOZ-HNNXBMFYSA-N	317.389	1.991	50	20	DDGD	
O=C1NCC[C@]1(C(=O)NNc1cccc(F)c1)C1CCCC1	860317467	XPKUSPHVKZXSHN-INIZCTEOSA-N	305.353	1.965	50	20	DDGD	
CC(C)[C@H]1C[C@H](C(=O)NNC(=O)Cc2cccnc2)CCO1	931968046	OOASGUCJAWMGCR-ZIAGYGMSSA-N	305.378	1.223	50	20	DDGD	
CC1(C)CCCC(=NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1	767775447	GWPLIFQJWFXFCO-NSHDSACASA-N	301.412	1.429	50	20	DDGD	
CCc1ccc(S(=O)(=O)NNC(=O)c2cn[nH]c2)cc1CC	863413942	NPMDSAMNWXKYQV-UHFFFAOYSA-N	322.390	1.158	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCC(CC(=O)OC)CC1	863099136	DPPVBRGPULLULE-JHJMLUEUSA-N	314.382	1.263	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNC(=O)CNc1ccc(C)cc1	863854229	XHKGZSPXPLVOCZ-AWEZNQCLSA-N	307.394	1.760	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNc1ccc(S(C)(=O)=O)cc1	860315145	LCBYFQLSDSFMCT-ZDUSSCGKSA-N	314.407	1.738	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cc(C)c(Cl)cc1OC	763443667	NCXIBUWNOKRABB-UHFFFAOYSA-N	313.741	1.153	50	20	DDGD	
COc1cc(C)c(C(C)=NNC(=O)[C@H]2CCC(=O)N2)cc1OC	863148358	AEYBAMBKJCOBSE-GFCCVEGCSA-N	319.361	1.131	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NN=c1sc2ccccc2n1C	864719905	QOVKXRIALZNOGA-SNVBAGLBSA-N	306.391	1.086	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)C(=O)Nc1ccccc1Cl	764115586	SYXWSJQDTCHVBO-UHFFFAOYSA-N	323.658	1.378	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)c2ccc(CCCCl)cc2)C[C@@H]1O	768560296	YAWFTGDKACOASH-FZMZJTMJSA-N	317.838	1.859	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC(=O)N1	862184927	KPQHABCATPUGFA-XCBNKYQSSA-N	310.285	1.092	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(C)n([C@H](C)C2CC2)n1	764465038	VQDBUNBCUZCVJW-SNVBAGLBSA-N	316.365	1.718	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1ncoc1C(F)(F)F	1118835232	LTTALQYGVGBIOF-UHFFFAOYSA-N	307.619	1.894	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNC(=O)c1ccc(C)c(O)c1	1119284238	CZIPFGLAUWECPV-UHFFFAOYSA-N	302.334	1.071	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NN=CC2CCN(C)CC2)c1	872357370	CJJDYIOMDLKVQI-UHFFFAOYSA-N	303.366	1.097	50	20	DDGD	
CCNC(=O)NN=Cc1ccc(OCCN2CCOCC2)cc1	872345098	MUKSSLGJMDAXJQ-UHFFFAOYSA-N	320.393	1.051	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1ccc(C2CC2)cc1	879095403	FIFOJTJHGZGQCI-UHFFFAOYSA-N	307.350	1.380	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H]1CCN1Cc1ccccc1	875754920	AAYBESDLOKYEMN-CYBMUJFWSA-N	306.366	1.173	50	20	DDGD	
Cc1nn(C)c(NC(=O)NN(C)C2CC2)c1Br	879702104	GEHDWFPQNIAWES-UHFFFAOYSA-N	302.176	1.622	50	20	DDGD	
Cc1ccccc1C(F)(F)C(=O)NNC(=O)c1ccccn1	1116409986	NXTHKRKKXQGORA-UHFFFAOYSA-N	305.284	1.943	50	20	DDGD	
CCCc1n[nH]cc1C(=O)NNc1nc(-c2cccnc2)no1	1116665080	BSQUCMKAXVVBSR-UHFFFAOYSA-N	313.321	1.564	50	20	DDGD	
COCCOc1cccc(CC(=O)NNC(=O)CC(C)C)c1	772044944	BWIBJOUWPDDUEE-UHFFFAOYSA-N	308.378	1.448	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)oc1C	1116309091	ZYVKNQOGTDIVIW-UHFFFAOYSA-N	302.334	1.573	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@@H]1CCCN1C	873853746	AZVNUNIEWPXEFG-ZDUSSCGKSA-N	320.462	1.969	50	20	DDGD	
CN(C)c1cnc(C(=O)NNc2ccc(F)c(F)c2F)cn1	779674573	JUBDDEPRFRVCNI-UHFFFAOYSA-N	311.267	1.717	50	20	DDGD	
CC(=O)N1CCC(=NNC(=O)NCC2CC2)c2ccccc2C1	778540821	VWUJWSBJWKCPIG-UHFFFAOYSA-N	314.389	1.852	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(Cl)cc1C	772192895	SXINTPZGVXMLLT-VIFPVBQESA-N	312.753	1.751	50	20	DDGD	
CC[C@@H](C)Oc1cc(C(=O)NNC(=O)CC(F)(F)F)ccn1	777522880	ZRBMIJWYZCYUPX-MRVPVSSYSA-N	319.283	1.972	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(C)CCc1ccncc1	779599197	RIXUELQEUOHSQE-ZDUSSCGKSA-N	306.410	1.138	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(C#N)ccc1OC(C)C	878428662	QELXXQQGEFQDML-UHFFFAOYSA-N	306.366	1.960	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1cccc2c1OC(C)(C)C2	1117761020	PZEPMUXNUPKDRI-UHFFFAOYSA-N	314.363	1.292	50	20	DDGD	
O=C(CCCC(F)(F)F)NNC(=O)CNc1ccccc1	771297054	BWONPICMVPLDMQ-UHFFFAOYSA-N	303.284	1.979	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](C)[C@H](OC)c1ccccc1F	875462231	IZCJPKNWKOABTN-SKDRFNHKSA-N	313.329	1.814	50	20	DDGD	
CC(C)N(C)CC(=O)NNc1ccnc(Br)c1	771537239	JQCPGDFEPZFWIE-UHFFFAOYSA-N	301.188	1.627	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2ncc(Cl)cc2Cl)c1O	775266279	JPGXOIRPAVBQJH-UHFFFAOYSA-N	302.121	1.882	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cnccc2N(C)C)n1	776185040	DTDSVLBPIYFDJP-UHFFFAOYSA-N	300.366	1.111	50	20	DDGD	
COCc1ncsc1C(=O)NNC(=O)NCc1ccco1	785955690	NSERKZLKNHRSPB-UHFFFAOYSA-N	310.335	1.027	50	20	DDGD	
CC(C)C(C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)C	788995993	ZVLLVZOQZCDLQU-LLVKDONJSA-N	303.428	1.387	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1ccc(Cn2cccn2)o1	781363883	QHRKCBGOWGIPNM-UHFFFAOYSA-N	301.281	1.815	50	20	DDGD	
Cc1ccccc1COCC(=O)NNC(=O)C1CCOCC1	883072275	GYFDNLFTPIPMCI-UHFFFAOYSA-N	306.362	1.086	50	20	DDGD	
CC(=O)N(CC(=O)NN[C@@H](C)C(F)(F)F)c1ccccc1	880166217	BBXXJXCPMVCMFE-VIFPVBQESA-N	303.284	1.611	50	20	DDGD	
C[C@H](CN1CCCCC1)NC(=O)NNc1ncncc1Cl	781001650	RXCVZIVNTFGMHA-SNVBAGLBSA-N	312.805	1.631	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H](C)Cc1ccc(OC)c(OC)c1	781325207	VYQSLLIHJORFFO-NSHDSACASA-N	323.393	1.623	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@](C)(NC(C)=O)C(C)C	898698570	RZEJCPHMIHTLRS-OAHLLOKOSA-N	311.357	1.828	50	20	DDGD	
CCN(CC(=O)Nc1cccc(NC(=O)NN(C)C)c1)C1CC1	788252725	AQAVVIVXWSXQCJ-UHFFFAOYSA-N	319.409	1.708	50	20	DDGD	
CC[C@H]1C[C@H](CC(=O)NNC(=O)NCc2ccco2)CCO1	781681328	GTBHWLKLHHEAQB-NEPJUHHUSA-N	309.366	1.705	50	20	DDGD	
Cc1cc(F)cc(-n2cc(C(=O)NNC(=O)C3CCC3)nn2)c1	789941718	KWPCNMOXKZTWFY-UHFFFAOYSA-N	317.324	1.276	50	20	DDGD	
COC(=O)[C@@H]1[C@H]2CN(/C(=C\C#N)c3cccc([N+](=O)[O-])c3)C[C@H]21	794971019	PEUNMZSDIMVWEJ-ZBYNTHNXSA-N	313.313	1.810	50	20	DDGD	
C[C@@H](Oc1ccc(C=O)cc1)C(=O)NNC(=O)c1ccccc1	794738331	HFKHVQXDRHCKJR-GFCCVEGCSA-N	312.325	1.728	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2cnc(C3OCCO3)s2)n1	794568338	ZFFRVMIXXVLMQD-UHFFFAOYSA-N	318.358	1.656	50	20	DDGD	
COC1(C(=O)NNC(=S)Nc2cccc(C)c2)CCOCC1	795169549	KIDJSAWGSRNUIL-UHFFFAOYSA-N	323.418	1.508	50	20	DDGD	
CO[C@H]1CCC[C@H]1CNC(=O)NNC(=O)c1cccc(C)n1	793038351	ROQBJBGSSREOIM-AAEUAGOBSA-N	306.366	1.149	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1c(F)ccc(F)c1F	798314293	FLFRCNKCNQTCBD-UHFFFAOYSA-N	315.173	1.610	50	20	DDGD	
CN(C)CC(=O)NN=Cc1c(F)cccc1Br	794506024	HUJAVILPMZLHLI-UHFFFAOYSA-N	302.147	1.600	50	20	DDGD	
CC(=NNC(=O)Cn1cnc2ccccc21)c1ccnc(O)c1	790288780	IIBPWLPYDKGGMH-UHFFFAOYSA-N	309.329	1.677	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCC(c2nc(C)no2)CC1	797401845	PVAZWEDWYYQPNM-RWANSRKNSA-N	324.381	1.559	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C1CCCc2cccnc21	799111896	XKPFXUHHNFQBIK-UHFFFAOYSA-N	323.356	1.063	50	20	DDGD	
O=C(CC1OCCO1)NNc1ccccc1OC(F)(F)F	793876419	PTBYFYBSBLGONO-UHFFFAOYSA-N	306.240	1.791	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)OCC(=O)NNC(=O)c1ccccc1	796003840	UZQHFJMQUSAUFP-SMDDNHRTSA-N	322.361	1.052	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc2ccccc2o1	790063274	GSVBGEIYGLJHHY-UHFFFAOYSA-N	320.345	1.983	50	20	DDGD	
Cc1cc(Br)ccc1C(=O)N1CC[C@@H](B(O)O)C1	585069348	NKUPKEWVAOSKPW-SECBINFHSA-N	311.972	1.446	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc2c(nc1O)CCC(C)(C)C2	1319358521	PUHXCVULRCGJSY-UHFFFAOYSA-N	306.366	1.218	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccc(SC(F)(F)F)cc1	1318909564	NAHLZWLYLCLXMO-UHFFFAOYSA-N	306.265	1.922	50	20	DDGD	
CCOC(=O)[C@H](CC(C)C)NNC(=O)c1ccc(OC)cc1	1320850200	GQDXFQURLKKJCZ-AWEZNQCLSA-N	308.378	1.907	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cnc(C2CC2)[nH]1	1320776548	XSLWQJWOICPUOQ-UHFFFAOYSA-N	323.356	1.772	50	20	DDGD	
CN(C)[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1cccc(F)n1	1328412075	IMAQOSBHFQATLI-ZYHUDNBSSA-N	323.372	1.038	50	20	DDGD	
Cc1ccc(NNC(=O)CCn2ncn(C)c2=O)cc1Cl	1326804881	CCIIPLKGZMMRPJ-UHFFFAOYSA-N	309.757	1.077	50	20	DDGD	
CCN(C)C(=O)c1cccc(C(=O)NNC(=S)NC(C)C)c1	1321574369	WWLMEQGDVJYMLI-UHFFFAOYSA-N	322.434	1.296	50	20	DDGD	
C[C@@]1(CNC(=O)Cn2cc(C3CC3)nn2)C[C@@H]1Br	1328645909	XWXTZWFNDNXUPX-JQWIXIFHSA-N	313.199	1.445	50	20	DDGD	
Cc1ncc([C@@H](C)NC(=O)/C(C#N)=C/c2cnn(C)c2)s1	1330631837	PTTVXFJACWGDSK-UYJACEEMSA-N	301.375	1.969	50	20	DDGD	
CC(C)CCC1CCN(C(=O)NNC(=O)c2cn[nH]c2)CC1	1261792138	NEWRBSGGFSIPHN-UHFFFAOYSA-N	307.398	1.912	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)[C@@]1(F)CCOC1	1343671900	VGDJYDALKJMJPP-QGZVFWFLSA-N	316.332	1.658	50	20	DDGD	
Cn1ncc(Cl)c1C(=O)NNc1cccc(C(=O)O)c1F	1601027517	KHDSRQNKXOGEST-UHFFFAOYSA-N	312.688	1.668	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1c[nH]nc1-c1ccccn1	1606529063	XNKBACMJRZCQBI-UHFFFAOYSA-N	324.300	1.322	50	20	DDGD	
O=Cc1ccc(OCC(=O)NNc2ccccc2C(=O)O)cc1	1602666664	FSNWCIZSOPTHHU-UHFFFAOYSA-N	314.297	1.719	50	20	DDGD	
Cc1nnc(O)c(C(=O)NNc2cccc(C(=O)O)c2F)c1C	1607934719	RLMDTBLNWLSDKB-UHFFFAOYSA-N	320.280	1.393	50	20	DDGD	
O=C(NCc1ccccc1)NNC(=O)[C@H]1CCC[C@H](C(=O)O)C1	1601542136	BQDKTYKKNLLYTC-STQMWFEESA-N	319.361	1.408	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC[C@H](C(=O)O)CC1)Nc1ccccc1	1608479327	ZFWBHCPPXMFZQF-XYPYZODXSA-N	305.334	1.730	50	20	DDGD	
O=C(/C=C\c1cc(C(=O)O)co1)NNC(=O)Nc1ccccc1	1608284258	INOMQWMVXVGRQL-SREVYHEPSA-N	315.285	1.844	50	20	DDGD	
O=C(NNC(=O)C(=O)O)N[C@@H]1CCC[C@H](c2ccccc2)CC1	1601552744	GQNFZHUBJRDSQI-QWHCGFSZSA-N	319.361	1.518	50	20	DDGD	
O=C(NCCC1=CCNCC1)NNc1ccc(C(=O)O)c(F)c1	1601489818	PYQSDLPQGSNSAS-UHFFFAOYSA-N	322.340	1.460	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1cncc(C(=O)O)c1	1600585166	KSLOIRFTPPYIFW-UHFFFAOYSA-N	314.301	1.555	50	20	DDGD	
O=C(NCCc1cscn1)NNc1ccc(F)c(C(=O)O)c1	1608454973	XTKKWIOLILVPTH-UHFFFAOYSA-N	324.337	1.849	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=C1CCC[C@H](C(=O)O)C1	1608219237	PCFIYQVMJWHRSR-NSHDSACASA-N	315.329	1.684	50	20	DDGD	
N#Cc1c[nH]c2cc(C(=O)NNc3ccc(C(=O)O)cn3)ccc12	1608195859	ZIGSATPTSZSHQB-UHFFFAOYSA-N	321.296	1.890	50	20	DDGD	
Cn1cccc1C(=O)NN=Cc1cc(C(=O)O)c2n1CCCC2	1600978611	HZXMLVAKLMZEGG-UHFFFAOYSA-N	314.345	1.625	50	20	DDGD	
O=C(O)C12CCC(C(=O)NNc3ccc(Cl)nn3)(CC1)CC2	1610730113	UORYGBXSPCYBCO-UHFFFAOYSA-N	324.768	1.998	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@@H]1C(=O)NN=Cc1cocn1	1549314131	HNMKZCMVWKALRC-AAEUAGOBSA-N	303.322	1.026	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)cnc1Cl	1549317427	LEZBOVLDFVASIL-CHWSQXEVSA-N	322.796	1.357	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccnc(Cl)c2F)nc1	1610836039	UICVTMKFPIGKBQ-UHFFFAOYSA-N	310.672	1.724	50	20	DDGD	
CC#CC[C@H](N)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	1574972979	RKINYKLDODMPIB-LBPRGKRZSA-N	319.430	1.519	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@H]2C[C@@]23CCNC3)c1	1578420336	HFURCPNNTUBARE-CZUORRHYSA-N	317.393	1.223	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C[C@@H]1CNc2ccccc21	1576904858	YKNNXIWTZXHEJM-TUAOUCFPSA-N	303.362	1.158	50	20	DDGD	
C[C@H]1CCN[C@@H](C(=O)NN=c2sc3ccccc3n2C)C1	1576746391	ZPSMRSCPFHPKNE-WDEREUQCSA-N	304.419	1.560	50	20	DDGD	
COc1ccc(CCCCCC(=O)NNC(=O)[C@@H]2CCN2)cc1	1579208455	JLGICTUGZXBKIE-HNNXBMFYSA-N	319.405	1.307	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNc1ccc(CC(=O)O)cc1	1588599365	MTEVZPWGFNLHBX-ZFWWWQNUSA-N	304.346	1.738	50	20	DDGD	
CC(=O)C[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843366933	YEBPZVKSMOUNRH-ONGXEEELSA-N	318.776	1.339	50	20	DDGD	
C=C1CC(C(=O)N2CC3(CCCN3C(=O)[C@@H](F)Cl)C2)C1	1843361610	FOSOENHYGIORHI-LLVKDONJSA-N	300.761	1.690	50	20	DDGD	
CC(C)[C@H](C(=O)O)C(=O)NNc1cc(O)nc2ncccc12	1588807588	BNYYFEAWAZJHGJ-NSHDSACASA-N	304.306	1.135	50	20	DDGD	
O=C([C@H](F)Cl)N1CCCC12CN(C(=O)C13CC(C1)C3)C2	1843367180	LJTRIYWXJUEVOH-QUNCOHTASA-N	300.761	1.524	50	20	DDGD	
CC[C@H](O)C(=O)N1CCCC12CN(C(=O)C(C)(C)CCl)C2	1841278440	OFJSVJHPLDBDJL-NSHDSACASA-N	316.829	1.226	50	20	DDGD	
CCOc1cc(C(=O)O)ccc1NC(=O)NNc1ccncn1	1597021561	ZSGACZAPUGBACP-UHFFFAOYSA-N	317.305	1.722	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)c1cc(-c2nn[nH]n2)cs1	1593167350	ZGEKSLJOYLDQDN-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(C(=O)O)cc1N(C)C	1598876174	UEZCEHXITBBTDD-UHFFFAOYSA-N	310.310	1.186	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccc(C(=O)O)o2)c1F	1599000018	XSSBCNLCZVGLEP-UHFFFAOYSA-N	322.248	1.660	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=Cc2ccncc2[N+](=O)[O-])c1	1776095723	PPFJMMDYNBLVCY-UHFFFAOYSA-N	314.257	1.452	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1cc(C(=O)O)ccc1OC	1776129276	BNCVSIIDYLANIC-LCYFTJDESA-N	318.329	1.453	50	20	DDGD	
CC(=NNC(=O)c1ccc(=O)n(C)c1)c1csc(C(=O)O)c1	1776103293	BXAKUZVECMYDHG-UHFFFAOYSA-N	319.342	1.299	50	20	DDGD	
O=C(NN=Cc1cccn2c(C(=O)O)cnc12)c1cccnc1	1776017696	YRBRINCBNCUNNA-UHFFFAOYSA-N	309.285	1.191	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1ccc(C(=O)O)c(F)c1	1776077878	IWOAKLASQTXBNZ-UHFFFAOYSA-N	302.265	1.496	50	20	DDGD	
CN(C)c1ncccc1C(=O)NNc1ccc([N+](=O)[O-])cc1	150861683	CLQCOKOQSPMPRZ-UHFFFAOYSA-N	301.306	1.813	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1[nH]nc2c1CCCC2	150876895	XCMSDJIFHZJSKE-UHFFFAOYSA-N	301.306	1.954	50	20	DDGD	
Cc1csc(=O)n1CCC(=O)NNc1cccc(C#N)c1	152379225	BCPVJLOANIWXHG-UHFFFAOYSA-N	302.359	1.623	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCCc1cccc(C(=O)N(C)C)c1	157502051	PPEGIENYEGZHMT-QINSGFPZSA-N	315.373	1.491	50	20	DDGD	
N#Cc1ccc(NNC(=O)CNC(=O)OCC(F)(F)F)cc1	155658990	IRRVVCNVAMETSW-UHFFFAOYSA-N	316.239	1.290	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1ccc(OCC2CC2)cc1	156219876	VWUVAQFJLSCOBC-UHFFFAOYSA-N	324.344	1.899	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H](C)OC[C@H]2CCCO2)c1	155798370	YKBKKZSVDUAWIN-ZWNOBZJWSA-N	312.341	1.862	50	20	DDGD	
CCCC[C@H](CC)C(=O)NNC(=O)CNC(=O)c1ccco1	156850723	PSBRUFHCOJFAII-NSHDSACASA-N	309.366	1.373	50	20	DDGD	
CCNC(=O)CCC(=O)NNc1ccc(OC(F)(F)F)cc1	159641313	VYXHPHFLOJULOU-UHFFFAOYSA-N	319.283	1.945	50	20	DDGD	
CNC(=O)[C@@]1(C)CCN(C[C@H](CBr)C2CC2)C1	859289824	HCZKHWMWEUMDMH-AAEUAGOBSA-N	303.244	1.866	50	20	DDGD	
COc1ccc(OCCN(C)S(=O)(=O)CCCCl)cc1	37842466	SCEPQFCQAVRAKX-UHFFFAOYSA-N	321.826	1.965	50	20	DDGD	
O=S(=O)(NC[C@H]1CC[C@H](O)C1)c1ccc(CCl)cc1	311527720	GHQOEYXEUBOYAL-RYUDHWBXSA-N	303.811	1.865	50	20	DDGD	
O=C(CSc1ncccn1)NNC(=O)c1ccc(Cl)cc1	6912157	WIJCOPFMVLNNCM-UHFFFAOYSA-N	322.777	1.683	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@@H]2CCC[C@H]2C)c1	104817952	GFMZOLJMTKYTNZ-TZMCWYRMSA-N	305.378	1.893	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1c[nH]c2ccc(F)cc12	115345993	GCSUIIJPRHKYIK-UHFFFAOYSA-N	306.341	1.980	50	20	DDGD	
C=CCOc1ccc(/C=C/C(=O)NNC(=O)NC)cc1OC	56371416	TWIFSCQVGXBDIO-SOFGYWHQSA-N	305.334	1.233	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Cc2c(C)noc2C)c1O	54163506	GDXLDLOJHIMIOI-UHFFFAOYSA-N	319.317	1.009	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)C[C@H]2CCCCO2)cc1	113930096	LIZXWUHMKBLVQQ-OAHLLOKOSA-N	319.405	1.257	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)[C@@H]1CCCO1	112868757	RIBJEDYDPJYGCN-LOWVWBTDSA-N	310.300	1.395	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)c2cnc3n(c2=O)CCS3)c1	102775585	VYVJZOCATFGWPU-UHFFFAOYSA-N	316.386	1.723	50	20	DDGD	
CCn1c(C(=O)NNC(=O)c2c[nH]nc2C)cc2ccccc21	109858663	VSQTXVUQTQGZBJ-UHFFFAOYSA-N	311.345	1.768	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCCc1ccc(NC(C)=O)cc1	171519660	PNYZMILWHDUNKN-SDNWHVSQSA-N	301.346	1.748	50	20	DDGD	
CC[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cnn(C)c1	175708428	YLHQAGMNZFGUNC-GFCCVEGCSA-N	320.324	1.178	50	20	DDGD	
Cc1oc(-c2cnn(C)c2)nc1C(=O)NNC(=O)OC(C)(C)C	177403824	PUUUDTVCEXDODR-UHFFFAOYSA-N	321.337	1.553	50	20	DDGD	
CCC(=O)Nc1cccc(C(=O)NNC(=O)NCC2CC2)c1	65191809	HGPYUIDEGPRERB-UHFFFAOYSA-N	304.350	1.389	50	20	DDGD	
COC(=O)[C@H]1C[C@H]1C(=O)NNc1ccccc1C(F)(F)F	171364486	UDXMBUYOQAWWED-SFYZADRCSA-N	302.252	1.958	50	20	DDGD	
CCc1noc2ncc(C(=O)NNc3nccnc3Cl)cc12	114894331	CORGYEJVRVUMCE-UHFFFAOYSA-N	318.724	1.986	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)Cc2ccccc2F)nn1C	173400497	VPWYBMCODVNUIC-UHFFFAOYSA-N	318.352	1.686	50	20	DDGD	
O=C(NNC(=O)C1[C@@H]2CCC[C@@H]12)c1cc(-c2ccccc2)n[nH]1	178089098	OCSZXVRQKCXQLT-VXGBXAGGSA-N	310.357	1.884	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCOC1)c1cc2ccccc2cc1O	171289796	LTJWASBBZLHWPI-ZDUSSCGKSA-N	314.341	1.733	50	20	DDGD	
CCOc1ccccc1C(F)(F)C(=O)NNC(=O)c1ccc[nH]1	122909010	FBBQPGUXGUUTRF-UHFFFAOYSA-N	323.299	1.966	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1ccc[nH]1)NC(=O)C1CCCCC1	171354090	HMNIPMHBSAOLPG-NSHDSACASA-N	320.393	1.251	50	20	DDGD	
CC(=O)NNC(=O)CSc1nncn1-c1ccc(C)c(C)c1	36832163	FZPPWWWHBBCKRP-UHFFFAOYSA-N	319.390	1.144	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NNc1cc(F)c(F)c(F)c1	128808187	ORZUPDZXCRZMHF-JTQLQIEISA-N	318.299	1.774	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2occc2C)c1	73315492	XOBRTFKPEGVZEX-UHFFFAOYSA-N	303.318	1.470	50	20	DDGD	
COC(=O)NNC(=O)[C@@H](C)Oc1ccc(C(F)(F)F)cc1	189913445	BRRKPHFPNQCENM-SSDOTTSWSA-N	306.240	1.860	50	20	DDGD	
CC(C)CNC(=O)N1CCC[C@@H](C(=O)NNc2ccncc2)C1	180540160	RDMFJSCNOFKLAN-CYBMUJFWSA-N	319.409	1.602	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1ccc2nncn2c1	183681744	QVCNGTNTUHXLDS-UHFFFAOYSA-N	305.301	1.429	50	20	DDGD	
CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)NNc1nc2ccccn2n1	189242639	QDOVREXVISDNOG-WCQGTBRESA-N	316.365	1.169	50	20	DDGD	
CCOCCC(=O)NNC(=O)c1cccc(Br)c1	78542838	PAFFMFFHAWGKDS-UHFFFAOYSA-N	315.167	1.637	50	20	DDGD	
CCCc1cc(NC(=O)NNC(=O)Cc2ccncc2)n(C)n1	183720685	GXAWRNXHERFDPM-UHFFFAOYSA-N	316.365	1.163	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Nc1ccnc(C)c1	183436672	SUJCHMSWFJCVIM-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1ccccc1F	70922420	VWJIXLONOPLPND-UHFFFAOYSA-N	317.320	1.707	50	20	DDGD	
O=C(NCc1ccc(F)cc1)NNC(=O)c1ccccc1O	31024672	RYILRCBKAUEDTL-UHFFFAOYSA-N	303.293	1.676	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C2CC2)N2CCCC2)s1	123686777	NKJXVGIEHSPZRH-ZDUSSCGKSA-N	307.419	1.692	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)n1)c1ccc(Cl)nc1	124327475	OKBOELORDWDWPL-UHFFFAOYSA-N	311.128	1.858	50	20	DDGD	
CCS(=O)(=O)Nc1ccccc1C(=O)NNc1ccccn1	181251200	QRLVMFXTIZMWDJ-UHFFFAOYSA-N	320.374	1.600	50	20	DDGD	
C[C@@H](NC(=O)NNc1nc2ccccn2n1)C1CCOCC1	189588910	YVSQOGXLKCZGEN-SNVBAGLBSA-N	304.354	1.171	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNc1ccc(F)cc1F	78532655	DXFLPFJFMFOZBQ-UHFFFAOYSA-N	311.313	1.899	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ccncc2Cl)CCCC1	135873002	SERZEKBAVFQIHU-UHFFFAOYSA-N	317.798	1.536	50	20	DDGD	
O=C(NCc1nccn1C(F)F)NNc1nc2ccccn2n1	188289545	VTJNPQNSJGQBDL-UHFFFAOYSA-N	322.279	1.147	50	20	DDGD	
CCn1nc(C)c(NC(=O)NNC(=O)c2ccc(C)o2)c1C	183652440	VHLRLQDDOSEOCE-UHFFFAOYSA-N	305.338	1.888	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)CC)c(C)c1	194728825	QDSGYWKMYTYFAH-JTQLQIEISA-N	314.407	1.749	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccc(-c2ccccc2F)o1	190073826	PLZJEBJTDGWVAW-UHFFFAOYSA-N	306.293	1.618	50	20	DDGD	
CCC(C)(C)CNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	190773690	QQTFMYNWPBLOGV-UHFFFAOYSA-N	308.338	1.975	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Cc1ccccc1Cl	81025707	ORQYNBXBFVGKFF-UHFFFAOYSA-N	303.749	1.668	50	20	DDGD	
CCCCN1C(=O)CC[C@H](C(=O)NN)[C@H]1c1ccccc1OC	195519556	WBWRJLURKSFOOJ-XJKSGUPXSA-N	319.405	1.765	50	20	DDGD	
CCc1cc(NNC(=O)c2n[nH]nc2C)nc(-c2ccccn2)n1	193085089	LNEKXFDPDDJPQY-UHFFFAOYSA-N	324.348	1.284	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNC(=O)c1cccc(N(C)C)c1	92216072	JXENQUKJTNZHPT-UHFFFAOYSA-N	315.377	1.123	50	20	DDGD	
CN(NC(=O)c1ccc(N2CCOCC2)nc1)c1ccccc1	141348998	JTZFPWLTRKYGDG-UHFFFAOYSA-N	312.373	1.699	50	20	DDGD	
CC(=O)N(CCc1ccccc1)CC(=O)NNC(=O)C(C)(C)C	90202124	XZEUYTMAXZDEIR-UHFFFAOYSA-N	319.405	1.271	50	20	DDGD	
CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)NNc2ccccn2)C1	246628237	MQOYGJZCNHEAQL-ZSMADZGOSA-N	310.423	1.788	50	20	DDGD	
COc1ccccc1/C(C)=C\C(=O)NNC(=O)c1cc(C)n[nH]1	255514351	UQWLQJBGYQDPAO-NTMALXAHSA-N	314.345	1.591	50	20	DDGD	
COc1ccc(C=NNC(=O)c2ccncc2)c(OC)c1OC	254386780	XHCGCAZUMZCBEU-UHFFFAOYSA-N	315.329	1.871	50	20	DDGD	
Cn1c(=NNC(=O)CCn2cccn2)sc2ccccc21	254977858	YBDBJHLKTBOSMC-UHFFFAOYSA-N	301.375	1.459	50	20	DDGD	
C[C@H](C(=O)NN=c1sc2ccccc2n1C)n1cncn1	255012111	RBMVRAHEXGUZMZ-SECBINFHSA-N	302.363	1.024	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCC(C)(C)CCO	269564924	RRIPGVPCFMQSFU-UHFFFAOYSA-N	301.818	1.877	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C2CCSCC2)c1O	264818140	MHJJAUMZGRHFBP-UHFFFAOYSA-N	310.375	1.305	50	20	DDGD	
C[C@]1(C(=O)NNc2nc(-c3ccccc3)no2)CCCOC1	272954485	VOSKRSIJIJTSCQ-HNNXBMFYSA-N	302.334	1.996	50	20	DDGD	
COc1ccnc(NNC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)n1	272971350	JIKDJLWJWAVMFK-VXGBXAGGSA-N	308.382	1.770	50	20	DDGD	
CCCc1nnc(NC(=O)NNC(=O)Cc2ccncc2)s1	273372467	CGKZBPJNACUKMS-UHFFFAOYSA-N	320.378	1.281	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1cccc2c1CCCC2	274245482	YMZIUCFFVJKELJ-UHFFFAOYSA-N	317.389	1.697	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@@H]2CC[C@H](O)C2)cc(C#N)n1C	276905421	QIFLWVDCDADASM-JASAIAOESA-N	312.373	1.389	50	20	DDGD	
CCOc1ccc(OC[C@@H](O)CN2CC=C(C#N)CC2)cc1	272711069	XXKOADIBRBJEKA-HNNXBMFYSA-N	302.374	1.981	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@H](CC)SC)nc1C	272213731	RYRWOBDSISDKCN-JTQLQIEISA-N	312.395	1.546	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](O)CN1CCO[Si](C)(C)C(C)(C)C	377523587	KEHQIQSQVVKUDG-VXGBXAGGSA-N	303.475	1.616	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CC[C@](O)(C3CC3)C2)cc(C#N)n1C	373251956	YWDXHBWXBJYSCT-GAVDFCLNSA-N	324.384	1.486	50	20	DDGD	
N#Cc1ccc(NNC(=O)CN2CCSC2=O)cc1Cl	273523959	QXCQXEGIETVXOH-UHFFFAOYSA-N	310.766	1.824	50	20	DDGD	
COc1ccnc(NNC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)n1	272971348	JIKDJLWJWAVMFK-NWDGAFQWSA-N	308.382	1.770	50	20	DDGD	
Cc1cncc(C(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c1	273108848	AUBLECGXAANPPT-SNVBAGLBSA-N	322.365	1.064	50	20	DDGD	
CSSCCNC(=O)[C@H]1COCCN1CC(F)(F)F	375876794	NVZYYMHLRYFYGR-MRVPVSSYSA-N	318.386	1.377	50	20	DDGD	
C[C@@H](C(=O)NNc1nc2ccccn2n1)N(C)CC(F)(F)F	281496467	FSPKRKGBTLZLOR-QMMMGPOBSA-N	316.287	1.055	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NNc1nc(-c2ccncc2)no1	280122640	BTEULBYITUBOOS-ONGXEEELSA-N	315.333	1.580	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCc2cncn2C)c1	281101886	GSGMVQNOODBDPJ-UHFFFAOYSA-N	302.334	1.283	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NC[C@@H](CO)[C@@H]1CCOC1	281703048	HGBXLAPIHKLJEM-FOZUNJHBSA-N	318.348	1.494	50	20	DDGD	
CC(C)(C)Nc1ccccc1NC(=O)C(=O)NNC(=O)C1CC1	281530291	SZAPJIHQRZATJS-UHFFFAOYSA-N	318.377	1.393	50	20	DDGD	
CCOC(=O)CC(C)(C)CC(=O)NNc1nc2ccccn2n1	288169536	OZODSUCZIBUXCN-UHFFFAOYSA-N	319.365	1.542	50	20	DDGD	
CCN(CC)CC(=O)NNC(=O)Nc1cc(F)cc(F)c1	283752124	KZYKMSIAAJEFSH-UHFFFAOYSA-N	300.309	1.459	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H]2CCc3cnn(C)c3C2)n1	281126604	DQGJYJMFGSBROI-NSHDSACASA-N	300.366	1.075	50	20	DDGD	
COC(=O)N(C)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1	286315897	KSUKAGMPIKVPCJ-UHFFFAOYSA-N	303.221	1.416	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	280855699	BVODQABDZFBEOH-BMIGLBTASA-N	312.341	1.556	50	20	DDGD	
CSSCCNC(=O)CNC(=O)Cc1cccc(F)c1	283834217	ATMXQDPCPKEXRX-UHFFFAOYSA-N	316.423	1.612	50	20	DDGD	
CCc1nn(C)c(CC)c1CNC(=O)NNc1ncncc1F	293059725	PWFIJDZYXOMGAT-UHFFFAOYSA-N	321.360	1.300	50	20	DDGD	
CC(C)O[C@@H](C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)c1ccccc1	294086851	CRUHXPSOVMEZQS-AEGPPILISA-N	320.389	1.868	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)[C@@H]2CCCCO2)s1	295374734	KGKNXWHOKAPIFB-JTQLQIEISA-N	311.407	1.734	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccccc1Oc1ccncc1	801219677	NWPUWYZOQKNBRH-UHFFFAOYSA-N	315.329	1.406	50	20	DDGD	
O=C1CC(C(=O)NNC(=O)c2ccncc2)(c2ccccc2)C1	809937523	VWJOHXVXUILPPE-UHFFFAOYSA-N	309.325	1.144	50	20	DDGD	
CN(C)c1ncccc1C(=O)NNc1ccc2c(=O)[nH]ccc2c1	803429087	VHXZXTFHZGFFQH-UHFFFAOYSA-N	323.356	1.746	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2cnn3ccccc23)o1	805781279	YEJJKKSQTSMBPC-UHFFFAOYSA-N	313.317	1.380	50	20	DDGD	
O=C(CCc1ccc2ccccc2n1)NNC(=O)[C@@H]1CCCO1	294766560	XUYUOXOTKKYDCA-HNNXBMFYSA-N	313.357	1.494	50	20	DDGD	
COc1cccc(/C=C/C(=O)NNC(=O)[C@@H]2CCCCO2)c1	295708222	JITNWFNTVFIATJ-VFNNOXKTSA-N	304.346	1.425	50	20	DDGD	
COc1ccc(OC)c(NC(=O)NNC(=O)[C@H]2CCCCO2)c1	297353681	DKXVJDLHYHALOG-CYBMUJFWSA-N	323.349	1.426	50	20	DDGD	
COc1ncccc1C(=O)NNc1ccc2c(=O)[nH]ccc2c1	803431777	IGYVOUCTZBJYRL-UHFFFAOYSA-N	310.313	1.689	50	20	DDGD	
C=CC(=O)NCc1ccc(C(=O)NNC(=O)CC2CC2)cc1	294248614	SRAXNXSKZQMMOM-UHFFFAOYSA-N	301.346	1.050	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1cnc2ccccc2c1	800830807	IWIJEAFAYKWBDB-UHFFFAOYSA-N	307.375	1.590	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	803397767	ZSMXWXAOPVKLCH-HNNXBMFYSA-N	303.366	1.845	50	20	DDGD	
COCC[C@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)C(=O)OC	292106430	CODPFCHEOCITMX-UQTJOTSZSA-N	320.320	1.427	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	294378534	WLYADHQYTBTXNP-JSGCOSHPSA-N	306.362	1.479	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1cncc(C(F)(F)F)c1	809687890	ULABFHSNVUYAEZ-UHFFFAOYSA-N	323.238	1.524	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1	299270238	IWBIGJRTYQQMPV-GFCCVEGCSA-N	318.377	1.168	50	20	DDGD	
O=C(CCn1cc(Cl)cn1)NNC(=O)Nc1ccccc1	801992983	KVLAQVHLAOQDFG-UHFFFAOYSA-N	307.741	1.780	50	20	DDGD	
O=C(NNc1nnc[nH]1)[C@@H]1CCCN(Cc2ccccc2)C1	293810469	FBTJODUGBWBHLL-CYBMUJFWSA-N	300.366	1.160	50	20	DDGD	
Cc1cncc(CNC(=O)NNc2ccc(-n3ccnc3)nn2)c1	805237039	QNUQXCNEDOSEFC-UHFFFAOYSA-N	324.348	1.192	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccc3c(c2)OCCO3)no1	804031941	YKTWTLRPKNIZET-UHFFFAOYSA-N	318.289	1.221	50	20	DDGD	
COCCOc1cccc(C(=O)NNC(=O)c2cccn2C)c1	299053997	KXANVBSVBMUWHA-UHFFFAOYSA-N	317.345	1.125	50	20	DDGD	
C[C@H]1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)[C@H](C)C1	299296901	OEMZLFQWNACRSY-NWDGAFQWSA-N	307.369	1.707	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1nn(C)cc1[N+](=O)[O-]	805383779	OSUAWIKPGFQBOY-UHFFFAOYSA-N	320.265	1.302	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@@H](C)n2cccn2)nc1	819434231	ZZFGMXCYLYKLIR-SNVBAGLBSA-N	303.322	1.159	50	20	DDGD	
CCn1ccnc1C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	813574507	BLSRLVBVOMTSKX-UHFFFAOYSA-N	317.305	1.098	50	20	DDGD	
CO[C@H](C)[C@@H](C)NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	811959658	TWVBRIPTAUEUFO-JGLRWDLQSA-N	323.437	1.957	50	20	DDGD	
COc1ccc(CC(C)=NNC(=O)c2ccnnc2)cc1OC	817343710	XQEIWRSBXFKKEK-UHFFFAOYSA-N	314.345	1.842	50	20	DDGD	
CNCCc1ccccc1C(=O)NNc1nc(C)cc(OC)n1	817943689	QTPCMLXDMFRGHN-UHFFFAOYSA-N	315.377	1.312	50	20	DDGD	
O=C(NNC(=O)c1ccccc1NC(=O)C1CC1)c1ccccn1	814683547	GDEMGWKZPHCSQG-UHFFFAOYSA-N	324.340	1.505	50	20	DDGD	
CC(C)[C@@H](C(=O)NN(C)C1CC1)S(=O)(=O)C1CCCCC1	819647235	KKGUDXPGZJOOMS-AWEZNQCLSA-N	316.467	1.884	50	20	DDGD	
C=CCC(F)(F)C(=O)NNC(=O)c1nnc(O)c2ccccc12	814729663	BCOSYSOTPKPAKW-UHFFFAOYSA-N	322.271	1.308	50	20	DDGD	
CCn1nncc1C(=O)NN=c1sc2ccccc2n1C	814889086	YPJFMPUXPGFBIE-UHFFFAOYSA-N	302.363	1.097	50	20	DDGD	
Cn1cccc1C(=O)NN=Cc1c(Cl)nc(Cl)n1C	814779612	QLXIRROVWCRPPN-UHFFFAOYSA-N	300.149	1.829	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)COc1ccc(CO)cc1	816829598	XIPQOBWLTTZQIF-UHFFFAOYSA-N	314.341	1.327	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=Cc1ccc2[nH]ccc2c1	811642792	GWHDLZZWFFQVKC-UHFFFAOYSA-N	311.301	1.062	50	20	DDGD	
CC(=NNC(=O)NCC1CC1)c1cccc(O[C@@H](C)C(=O)O)c1	814818369	PBTZTQSCRVYYSC-NSHDSACASA-N	319.361	1.972	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)NCCc2cccs2)cn1	728862506	VGEWFFPGHUHHNV-UHFFFAOYSA-N	314.370	1.311	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2cc(CO)ccc2O)cs1	814740388	MTSKKTAHCKYURD-UHFFFAOYSA-N	305.359	1.342	50	20	DDGD	
Cc1nn(C)c2ncc(NC(=O)NNc3ncncc3F)cc12	814587109	LUZRUNFHIBEHJX-UHFFFAOYSA-N	316.300	1.354	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@H](CN1CCCC1)c1ccccc1	823922672	MCBNLQZDHGNGJR-GDBMZVCRSA-N	305.422	1.210	50	20	DDGD	
CCCN(NC(=O)[C@@H](CC(C)C)C(N)=O)C(=O)OC(C)(C)C	497028015	VGDKRACHWLOIGS-NSHDSACASA-N	315.414	1.812	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNc2ccncn2)CCN1C(=O)OC(C)(C)C	495869412	OLQBJUGKDYSWFH-GHMZBOCLSA-N	321.381	1.565	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@H]3CC(=O)N(C)C3)nc12	828367691	VEEKIJUUAODLIG-VIFPVBQESA-N	304.375	1.526	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCc2sccc2C1	827306910	KUQGQNCDBROLLP-KOLCDFICSA-N	309.391	1.272	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)CCN(C)C)c1cccs1	726446187	ZEIWVZDRBZOPLC-VIFPVBQESA-N	300.453	1.256	50	20	DDGD	
O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)c1cnc[nH]1	728971502	BBJABDQJRBEZHL-UHFFFAOYSA-N	316.289	1.163	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)/C=C/c1ccccc1OC(F)(F)F	823907978	QYHXAJYXCNOMNE-QROSGCPLSA-N	318.295	1.942	50	20	DDGD	
CCOC(=O)NCC(=O)NNc1ncnc(Cl)c1C(C)C	496385974	OQMGCPJIXYYNGU-UHFFFAOYSA-N	315.761	1.443	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C	496580084	FXMPODDLALFBRU-VIFPVBQESA-N	303.359	1.265	50	20	DDGD	
Cc1cc(/C=C(\C#N)C(=O)NC(CO)CO)c(C)n1CC(C)C	490664065	NRHRLKWOINOZEW-GIDUJCDVSA-N	319.405	1.137	50	20	DDGD	
O=C1C[C@H](C(F)(F)F)[C@@H](C(=O)NCC(Cl)Cl)CN1	822913185	GARIQBRCMZXYMO-WHFBIAKZSA-N	307.099	1.221	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccccc1	827165213	CNPPWPZETDMVJH-MRVWCRGKSA-N	305.378	1.893	50	20	DDGD	
CN1CCCC[C@@H](C(=O)NNc2ncnc3ccsc23)C1=O	821026342	VNRMFZWJICUGFM-VIFPVBQESA-N	319.390	1.393	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(OC)ccc1OC(F)(F)F	496241411	AZPJKBUYKVZKTD-UHFFFAOYSA-N	322.239	1.985	50	20	DDGD	
CCCCO[C@@H]1C[C@@H](N[C@H](C)C(=O)NNC(=O)CC)C1(C)C	829677601	DXQONCHKIWBKIC-JHJVBQTASA-N	313.442	1.506	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C[C@@H]2CC[C@H]3C[C@H]23)cc1	824037557	SSTVEQHZNZUPKY-YDHLFZDLSA-N	301.390	1.991	50	20	DDGD	
CC(C)c1[nH]nc(C(=O)NN(C)[C@H](C)CO)c1Br	823959162	CCXFQGBWUCNTAL-SSDOTTSWSA-N	319.203	1.253	50	20	DDGD	
C[C@@]1(C(=O)N[C@H](CO)Cc2ccccc2)C[C@H]1Br	907613646	QWCKATMETMJPRH-OUCADQQQSA-N	312.207	1.880	50	20	DDGD	
Cc1ccccc1C1=NO[C@@H](C(=O)NNC(=O)NC(C)C)C1	906443906	UNJAIIIBZARKLE-CYBMUJFWSA-N	304.350	1.227	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(C)Cc1nc(O)c2sccc2n1	490753809	MCKMGRUSCDQNRO-CMDGGOBGSA-N	318.358	1.799	50	20	DDGD	
CC(C)(C)OC(=O)[C@@H](C(=O)NNc1ncccn1)C(C)(C)C	820935838	YCEFAMLSSIZQIE-SNVBAGLBSA-N	308.382	1.924	50	20	DDGD	
CCc1c(C(=O)N2CC[C@H](B(O)O)C2)cnn1-c1ccccc1	585071938	DSHZIAFVFJNSPR-LBPRGKRZSA-N	313.166	1.124	50	20	DDGD	
Cc1ccc(F)c2c1NC(=O)C2=NNC(=O)c1c[nH]nc1C	735410605	NJQXHPMDPYSOQJ-UHFFFAOYSA-N	301.281	1.252	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1cncc(O)c1	732262790	ZTVXZPXCJAUSGH-UHFFFAOYSA-N	321.720	1.524	50	20	DDGD	
Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CC[C@H](B(O)O)C1	585068235	YYKLJFMSXJHEKS-VIFPVBQESA-N	306.558	1.819	50	20	DDGD	
COc1cccc(C(=O)NN(C)[C@H](C)CO)c1OC(F)F	823977289	SWUHGDAXENSNHY-MRVPVSSYSA-N	304.293	1.254	50	20	DDGD	
COc1ccc2c(c1)C[C@H](C)CC2=NNC(=O)CS(C)(=O)=O	905493739	VBDWNWXIVZABOO-JTQLQIEISA-N	324.402	1.142	50	20	DDGD	
CC(C)C(=O)NCCCNC(=O)[C@]1(C)C[C@H]1Br	907133820	NIRYXKSZGOAGOQ-BXKDBHETSA-N	305.216	1.438	50	20	DDGD	
COCC(CC(C)C)=NNC(=O)[C@H]1COc2ccccc2O1	730722493	RBOUWCRFPDWHPX-OAHLLOKOSA-N	306.362	1.991	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CC[C@@H](c3ccncc3)C2)cn1	491046991	IAYHXVICXGWKNB-FUXXUDPSSA-N	307.357	1.738	50	20	DDGD	
CSc1nc(C)c(CCC(=O)NNc2cccnn2)c(O)n1	736702153	FFTZOASDBIZYSR-UHFFFAOYSA-N	320.378	1.078	50	20	DDGD	
CCC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)c1cnn(C)c1	735512903	LEEJQOJNWTZXFI-WCQYABFASA-N	307.398	1.723	50	20	DDGD	
CC1(C)C[C@@H]1CNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	732892804	IUXUJSPDMOIZRY-SNVBAGLBSA-N	306.322	1.585	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cccc(OCCN(CC)CC)c1	903462623	WETFRLRDOKUTSN-UHFFFAOYSA-N	322.409	1.970	50	20	DDGD	
O=C(NCCc1ccn(-c2ccccc2)n1)NNc1cccnn1	736381763	MGZONKQGMYCKGW-UHFFFAOYSA-N	323.360	1.531	50	20	DDGD	
O[C@H](CNCc1ccc(OCCCCl)cc1)Cn1ccnn1	839179358	MGTTVZZAIUYHHX-CQSZACIVSA-N	324.812	1.437	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1cccc(C(=O)N(C)C)c1	901259041	NYJNZZORLQUTCM-BXUZGUMPSA-N	303.362	1.264	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)CNc2ccc(C)cc2)n1	834919847	DGMYXFNXWFCNCC-UHFFFAOYSA-N	300.366	1.477	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCCc2cc(N)ccc21	834964018	VEAMOYQTCXGRBJ-NSHDSACASA-N	305.378	1.477	50	20	DDGD	
O=C(COC(=O)C[C@@H]1CC[C@H]2C[C@@H]12)NNC(=O)c1cccs1	838126879	SMXLDLBZVKPBIP-GARJFASQSA-N	322.386	1.489	50	20	DDGD	
CC(C)c1scnc1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	831817892	BTSBJZNVZTYGLY-BDAKNGLRSA-N	312.395	1.844	50	20	DDGD	
CCCc1nnc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)s1	831110075	HHBKYZPZUIKYRR-SFYZADRCSA-N	313.383	1.068	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@@H]1C[C@H]1C1CCCCC1	836322368	AFLGOKUKPCGBKI-MJBXVCDLSA-N	309.410	1.855	50	20	DDGD	
Cc1ccc(NNC(=O)Cn2cc([C@H](C)O)nn2)c(Cl)c1	836937663	JBHUHXJVFYUZRL-VIFPVBQESA-N	309.757	1.437	50	20	DDGD	
COc1cc(/C=C(/C#N)S(=O)(=O)N(C)C)c2c(c1)C[C@H](C)O2	588615192	IEDIKWFYADUJHI-WULZRQGASA-N	322.386	1.774	50	20	DDGD	
Cc1cc(-c2cccc(F)c2)nnc1N1CC[C@@H](B(O)O)C1	585074560	ZRDFBQJURKRQQE-GFCCVEGCSA-N	301.130	1.644	50	20	DDGD	
CC(C)O[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(C#N)cc2)C1	838747593	NPANYLDUDPRPIJ-OKILXGFUSA-N	316.361	1.458	50	20	DDGD	
C[C@H]1C[C@H](NS(=O)(=O)CCl)C(=O)N1c1ccccc1	830707125	BBOKRKJMVHMUGP-ONGXEEELSA-N	302.783	1.296	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1ccc(OC(F)F)cc1	916359247	QREFKOVSXYVTPZ-UHFFFAOYSA-N	311.288	1.361	50	20	DDGD	
CCOc1ccc(NNC(=O)NC[C@]2(OC)CCOC2)cc1	838554726	NZJJVMXMFNDXNF-OAHLLOKOSA-N	309.366	1.517	50	20	DDGD	
CCS(=O)(=O)CC(C)=NNC(=O)c1ccc(O)c(Cl)c1	734093464	HWPKTZRLOHWGKK-UHFFFAOYSA-N	318.782	1.586	50	20	DDGD	
CCc1nnc(C(=O)NNc2cccc(C(=O)OC)c2C)s1	912452426	VARXKHDHFWTTPZ-UHFFFAOYSA-N	320.374	1.952	50	20	DDGD	
COc1ccc(OCC(=O)NN=CCCc2cnn(C)c2)cc1	834922770	MRMCRNKWXLBGTN-UHFFFAOYSA-N	316.361	1.542	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1	832754200	FGUVLVNHQOKJJQ-ZIAGYGMSSA-N	304.390	1.564	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2O)n(C)n1	918362629	UITVBRDNBMDEAR-UHFFFAOYSA-N	308.725	1.162	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=C1CCc2cc(F)ccc21	743446989	AALOKGPSAZPFKE-UHFFFAOYSA-N	316.292	1.036	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)c1cc(OC)cc(OC)c1	749755745	FNYSWXHEBDXXRM-SECBINFHSA-N	311.407	1.611	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(OC)CCCCCC1	910218424	PSXKQYWMJVYPFT-NSHDSACASA-N	314.382	1.215	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCCCCCN	843511809	NIFULLGYXIQZIH-UHFFFAOYSA-N	300.834	1.988	50	20	DDGD	
O=C(COC[C@H]1CCCO1)NNc1cc(F)c(F)c(F)c1	746703814	GOTJFXZDSQFFOR-SECBINFHSA-N	304.268	1.743	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)CN2CCCC2=O)C12CCCCC2	741454999	JIVDFIVKLVEHES-AWEZNQCLSA-N	321.421	1.840	50	20	DDGD	
COc1ccccc1-c1nn(C)cc1C(=O)NN(C)C[C@H](C)O	910162805	KVGYSWDBQFUXQG-NSHDSACASA-N	318.377	1.053	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@@H]2C[C@]2(C)c2ccccc2)cn1	743641084	FPTMNIWWWUBPKG-CZUORRHYSA-N	313.361	1.094	50	20	DDGD	
O=C1Nc2ccc(Cl)cc2C1=NNC(=O)c1ccccn1	916245173	BQMIUMSXVHTCFY-UHFFFAOYSA-N	300.705	1.821	50	20	DDGD	
Cc1oc2ncnc(O)c2c1C(=O)NNc1ccc(C#N)cc1	748100956	OOJVJGJIAQJKNV-UHFFFAOYSA-N	309.285	1.865	50	20	DDGD	
NS(=O)(=O)c1cc(C(=O)NNc2cccc(F)c2)cs1	748091056	BNYABTLIUCCNIZ-UHFFFAOYSA-N	315.351	1.292	50	20	DDGD	
CCCOc1cccnc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843660438	WMHUTNNLKRWHBR-GHMZBOCLSA-N	307.350	1.056	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1	910180526	LIURFIRJGOGKLT-DOMZBBRYSA-N	308.378	1.202	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@H](C)NC(=O)NNC(=O)CC(F)(F)F	840416386	LKBGFNPTSJSHQX-WRWORJQWSA-N	311.304	1.473	50	20	DDGD	
O=C(CC1CCCC1)NN=C1C(=O)Nc2ccc([N+](=O)[O-])cc21	749454234	ZNICRYDPOZHZSS-UHFFFAOYSA-N	316.317	1.948	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)CNC(=O)c1ccco1)C(C)(C)C	742611908	FSXJHKRLLRYLAB-NTMALXAHSA-N	307.350	1.149	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1c(Cl)nc2ccccn12	842556930	OLNHTTGRCADDIA-UWVGGRQHSA-N	306.753	1.863	50	20	DDGD	
O=C(CN1CC[C@H]1c1ccccc1)NNC(=O)c1ccccc1	747619121	HQMMJVQPPGFBLS-INIZCTEOSA-N	309.369	1.895	50	20	DDGD	
C[C@H](C(=O)NNc1ccc([N+](=O)[O-])cc1)[C@@H](C)S(C)(=O)=O	841407906	DNSHREFIBCZNFD-DTWKUNHWSA-N	315.351	1.107	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)c2cc([N+](=O)[O-])ccc2O)o1	740123883	RZSRHACFBRVFRX-UHFFFAOYSA-N	319.229	1.356	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H](C)CCC(C)C	748611867	DZRGPIAMXIAKRJ-RYUDHWBXSA-N	303.403	1.193	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)CCOc2ccccc2)CS1	840416897	NODGUOMOMCVBKO-RYUDHWBXSA-N	323.418	1.680	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccnc(F)c2)c1O	748837986	PGGCLSCAONGUJC-UHFFFAOYSA-N	305.265	1.010	50	20	DDGD	
CCc1cc(CNC(=O)NNc2cccc([N+](=O)[O-])c2)on1	741424879	NXQFZFRZOZFQMY-UHFFFAOYSA-N	305.294	1.972	50	20	DDGD	
O=C(O)Nc1ccccc1C(=O)NNC(=O)c1ccccc1F	740045330	IBXRSTKVIYTWOA-UHFFFAOYSA-N	317.276	1.990	50	20	DDGD	
Cc1ccncc1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	742037626	ZLZGCLVZEWIRIA-NSHDSACASA-N	317.320	1.758	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnc3n2[C@@H](C)CCC3)o1	845736570	BQEWDAYECGTHOH-VIFPVBQESA-N	302.334	1.757	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cnc([C@H]2CCCO2)s1	842561019	IJBVZKYCJUKGEC-MVWJERBFSA-N	309.391	1.870	50	20	DDGD	
CNCCCNC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	841914400	DHLKGQKJRZMNDM-CYBMUJFWSA-N	322.409	1.011	50	20	DDGD	
CNCCNC(=O)NNC(=O)c1cc2c(s1)CCCCCC2	841934970	AHMHLFMYTJARKZ-UHFFFAOYSA-N	324.450	1.571	50	20	DDGD	
COc1ccc(C=NNC(=O)C(=O)Nc2ccccn2)cc1C#N	758379477	BDUTWKGAACAZDP-UHFFFAOYSA-N	323.312	1.051	50	20	DDGD	
CCCNC(=O)NN=Cc1c(C)nn(C)c1OCC(F)(F)F	756835178	SKRCBYSPUVZHBL-UHFFFAOYSA-N	321.303	1.713	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)NCc2ccco2)oc1C	920828938	IMXRLGYVVZFCCX-UHFFFAOYSA-N	305.290	1.801	50	20	DDGD	
Cn1cccc1C(=O)NN=Cc1ccc(O[C@H]2CCOC2)cc1	853283881	GRRBEVKDHDWODH-HNNXBMFYSA-N	313.357	1.957	50	20	DDGD	
C[C@H]1[C@@H](c2ccccc2)CCN1CC(=O)NNC(=O)C1CC1	751500002	MLZCDSPXWNLNJU-WFASDCNBSA-N	301.390	1.422	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Nc1cnn(C(C)C)c1	756826692	JJTKDQFIOMNGOB-UHFFFAOYSA-N	317.349	1.939	50	20	DDGD	
C[C@]1(CNC(=O)NCC2(C(=O)O)CCC2)C[C@H]1Br	857101269	VHGDYANCKHGLIK-LDYMZIIASA-N	319.199	1.714	50	20	DDGD	
CCC(=NNC(=O)c1ccc(OC)c(OC)c1)c1nccn1C	755480080	BLHSNMIHWCQNSD-UHFFFAOYSA-N	316.361	1.981	50	20	DDGD	
CC(C)(C)CC(=O)NCC(=O)NC[C@@]1(C)C[C@H]1Br	857401223	KZJRMVVUHCABRN-NOZJJQNGSA-N	319.243	1.829	50	20	DDGD	
CC1(CNC(=O)NNC(=O)Cn2ccc3ccccc32)CC1	752010030	LUGRJCGAACGZPF-UHFFFAOYSA-N	300.362	1.772	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(Br)c(C)c1	854923134	JFYPZESPHSVSPI-UHFFFAOYSA-N	316.224	1.838	50	20	DDGD	
COC(=O)N(C)CCNC(=O)NNc1c(F)cc(F)cc1F	923309135	SJHBOUCPAMVBRP-UHFFFAOYSA-N	320.271	1.428	50	20	DDGD	
CC[C@@H](C)Oc1ccc(C(=O)NNC(=O)c2cc[nH]n2)cc1	855357695	PIIWBOHZJKCGCT-SNVBAGLBSA-N	302.334	1.662	50	20	DDGD	
O=C(NN=Cc1ccc(O[C@H]2CCOC2)cc1)c1ncccn1	853360146	WJZKNEQBRZNRDR-AWEZNQCLSA-N	312.329	1.408	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H]1COc2ccc(Cl)cc2C1	854928324	SVAAARFWGHDGOO-VIFPVBQESA-N	313.810	1.358	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2ncnc3[nH]cnc23)c2ccccc21	750793445	AXWIJURCHTYOLV-LLVKDONJSA-N	323.360	1.420	50	20	DDGD	
CN1Cc2ccccc2[C@@H](NC(=O)NNC(=O)C2CCCC2)C1	757734343	QXESRVOZJWMTQA-HNNXBMFYSA-N	316.405	1.694	50	20	DDGD	
CN1CCCC[C@@H](CNC(=O)NNC(=O)c2ccccc2)C1	858117144	BEJAUXJKRVPHEL-ZDUSSCGKSA-N	304.394	1.363	50	20	DDGD	
Cc1cccc(C)c1C=NNC(=O)CNC(=O)c1cccnc1	755774502	RIQJOFSDUNBBIJ-UHFFFAOYSA-N	310.357	1.579	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)N[C@H]3CCOC3)cc2C1	752126227	GOIYMJABOAGTCJ-KOLCDFICSA-N	323.418	1.606	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C1(OC)CCCC1	754185573	NMYFJQRKIMZZPK-UHFFFAOYSA-N	306.362	1.344	50	20	DDGD	
C[C@H](O)C[C@@H]1COCCN1C[C@@H](CBr)C1CC1	859254039	MFLVXKXNWXEJCN-CYZMBNFOSA-N	306.244	1.879	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NNC(=S)Nc1cccc(C)c1	759487499	PYLYLQNRNBFMLE-LLVKDONJSA-N	323.422	1.150	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)c2cc(C)cs2)nc1	858528580	DPWKGUMYEPDHMR-UHFFFAOYSA-N	318.402	1.947	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C[C@@H]2CCS(=O)(=O)C2)c1	759322651	VYACOCBTLOKXMZ-VIFPVBQESA-N	316.354	1.102	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2cc(Cl)ccc2Cl)CN1	752811278	JINAAHYABIFAAH-ZETCQYMHSA-N	302.161	1.963	50	20	DDGD	
O=C(Cc1nnc(-c2ccccc2)o1)NNC(=O)C1CCCC1	864844742	AGERQNBUJRGLPG-UHFFFAOYSA-N	314.345	1.617	50	20	DDGD	
Cn1[nH]c(COC(=O)CCCC[C@@H]2CCSS2)nc1=O	765410219	ONHOFWHHBHOYAP-SECBINFHSA-N	317.436	1.866	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1)c1cn[nH]c1	862466089	FBZGSIYZJXDWLS-HIFRSBDPSA-N	312.373	1.830	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C2CC2)n(C2CCN(C)CC2)n1	764679727	UYPBTZBFTAFHGY-UHFFFAOYSA-N	320.397	1.021	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)CC(C)(C)CCl	867034623	XWSOWWLSYCYULR-ZJUUUORDSA-N	310.847	1.086	50	20	DDGD	
O=S(=O)(CBr)Oc1ccc(-n2ccnc2)cc1	769935057	HWAFKDHJTYOQJQ-UHFFFAOYSA-N	317.164	1.933	50	20	DDGD	
CCO[C@H]1COCC[C@H]1NC(=O)NNc1cccc([N+](=O)[O-])c1	760130544	HWERWVDKHWIJIY-OLZOCXBDSA-N	324.337	1.415	50	20	DDGD	
C[C@]1(CNC(=O)c2ccnc3ccnn23)C[C@@H]1Br	862258084	MONSYVLPQHHRQU-JOYOIKCWSA-N	309.167	1.633	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@@H](C)COCC1CCCCC1	932422437	WHCZMCROBOYXAP-QWHCGFSZSA-N	313.442	1.507	50	20	DDGD	
O=C1NCCC[C@H]1C(=O)NNc1nc2ccccc2[nH]c1=S	869375871	KDZXPPKBLQSYBK-MRVPVSSYSA-N	317.374	1.262	50	20	DDGD	
C[C@@H]1CN(c2ccccc2C=NNC(=O)c2cn[nH]c2)CCO1	863156266	SZOBMKNNKMFXBV-GFCCVEGCSA-N	313.361	1.399	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNCC(F)(F)C(F)(F)F)n1	869455108	PZVWYGZREUFJIM-SSDOTTSWSA-N	314.258	1.646	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(F)(F)F)cc[nH]1	862512164	MRCLKTZJBWRCCG-KKOKHZNYSA-N	315.295	1.611	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCc1ccn2ccnc2c1	762403463	ZJOWBBVUDSTDIZ-UHFFFAOYSA-N	315.255	1.117	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccc(F)c1	868240787	IZIRETXNPRZMIE-YPMHNXCESA-N	323.324	1.075	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccc(Br)nc1	760906816	KGHFVEXKYHRSIO-UHFFFAOYSA-N	312.102	1.530	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNC(=S)Nc1cc(C)ccc1C	873758479	UMJGPRCAANWFSH-LBPRGKRZSA-N	322.434	1.536	50	20	DDGD	
O=C(NN=Cc1ccc(OC(F)F)cc1F)N1CCOCC1	872346289	OPYHQIIXJZNVQY-UHFFFAOYSA-N	317.267	1.803	50	20	DDGD	
C[C@H](CCC1CC1)NC(=O)NNc1nc(O)c2cnn(C)c2n1	769555129	GCHAADBMEMNNDB-MRVPVSSYSA-N	319.369	1.274	50	20	DDGD	
CN(C)CC1(C(=O)NNC(=O)c2cc3c(s2)CCC3)CC1	873793194	VMQORWYVUZJGDT-UHFFFAOYSA-N	307.419	1.340	50	20	DDGD	
CC[C@H](CO)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874952964	NQBTXMYFNSRELL-SNVBAGLBSA-N	310.423	1.089	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)[C@H]1CN2CCCN1CC2	777464141	FYXUPVQMFHOBNW-OAHLLOKOSA-N	311.389	1.068	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@@H](F)Cc1ccccc1)C1CC1	777992418	QZGASPWCOGSOOC-MFKMUULPSA-N	309.410	1.861	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccn(CC(F)(F)F)c1=O	878913746	FNBWGVUCALZKDD-UHFFFAOYSA-N	322.287	1.025	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cc(F)cc(Cl)c1	776726261	MKHOTMFVLBERCE-SECBINFHSA-N	302.733	1.981	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NCc1conc1C	875951603	BEHPIGBKXNHSTJ-UHFFFAOYSA-N	302.334	1.365	50	20	DDGD	
C[C@@H](CBr)CN1CCN(Cc2cnn(C)c2)CC1	770648562	GEQLICLRXFQLBV-LBPRGKRZSA-N	315.259	1.569	50	20	DDGD	
CN(NC(=O)c1cc2c(C(F)(F)F)cc(O)nc2o1)C(N)=O	778415376	DWRNUQOTLXYPIU-UHFFFAOYSA-N	318.211	1.208	50	20	DDGD	
COC(=O)c1cnc(C(=O)NNc2c(C)cccc2F)cn1	771698360	IBVXJOLYAYSADB-UHFFFAOYSA-N	304.281	1.468	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]21	875434127	AVGQXTAENRYLMU-HRDYMLBCSA-N	305.425	1.278	50	20	DDGD	
C#C[C@H](NC(=O)NNc1cc(F)c(F)cc1F)[C@@H]1CCCO1	776232917	UODXAALOKYJSAN-AAEUAGOBSA-N	313.279	1.911	50	20	DDGD	
Cn1ccc2c(NC(=O)C(=O)NNc3ncccn3)cccc21	773720942	LNCULGNVQXXWKV-UHFFFAOYSA-N	310.317	1.050	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCc3cccnc32)cn1	885362144	VVRYZCDYTYEKQV-CKNOQMABSA-N	307.357	1.916	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)Nc1cccc2cc[nH]c12	773496485	NAAMMKJSSSLJHO-UHFFFAOYSA-N	300.318	1.054	50	20	DDGD	
COc1cccc(NNC(=O)CCC(=O)c2ccccn2)n1	771450714	IKQBAHGOIZYMFL-UHFFFAOYSA-N	300.318	1.591	50	20	DDGD	
Cn1nc(C2CC2)cc1C(=O)NNC(=O)c1ccc(Cl)nc1	1120007694	FTCCRHHPIKRTBK-UHFFFAOYSA-N	319.752	1.421	50	20	DDGD	
C[C@@H]1COC[C@@H]1NC(=O)NNC(=O)c1ccc2ccccc2c1	1122031770	YIZCHZMHSFGZKO-ABAIWWIYSA-N	313.357	1.819	50	20	DDGD	
CC(=O)NNC(=O)Cn1c(Cc2ccccc2)nc2ccccc21	789831948	VLJLDNQQWOEDKX-UHFFFAOYSA-N	322.368	1.794	50	20	DDGD	
O=S(=O)(CCl)N1C[C@@H]2CN(c3ccccc3)C[C@@H]2C1	882344751	QWCQYIODFSHFGX-TXEJJXNPSA-N	300.811	1.581	50	20	DDGD	
CC(C)[C@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)c1cnn(C)c1	885419465	HOTZCEJXQCCOQT-XNISGLLXSA-N	312.377	1.574	50	20	DDGD	
O=C(NNc1ncncc1Cl)C1C[C@@H]2CCC[C@H](C1)C2=O	781824473	RPNQYNHPYVSNPZ-ULKQDVFKSA-N	308.769	1.969	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1ccc(OCC)c(C)c1	782478052	GPXSCZJHFQZCCM-UHFFFAOYSA-N	315.395	1.248	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)ccn1	789884470	XTDQZBKYPSFUIE-UHFFFAOYSA-N	313.313	1.236	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](CC)OC1CCCC1	785933375	SWHQUIOOVRGVKJ-ZYHUDNBSSA-N	314.382	1.213	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1cnn(C(C)(C)C)c1C	787161486	AWADRHGWFOOLMS-UHFFFAOYSA-N	309.370	1.143	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2cccnc2Cl)n1	784849733	ZDUOXDGRVBAYRR-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCC(=O)NCCOc1ccccc1	786678242	PVDQALZOYKQTQI-GXDHUFHOSA-N	314.341	1.585	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)NC/C=C\Cl	899034499	JUHOBECONRHKAR-ALCCZGGFSA-N	318.805	1.012	50	20	DDGD	
COC(=O)[C@@H](C)N(C1CCC1)S(=O)(=O)CCCCCl	790907279	FCFRONSUAJZDDM-SNVBAGLBSA-N	311.831	1.751	50	20	DDGD	
Cn1cc(C(=O)NNc2ncncc2Cl)c(-c2ccoc2)n1	790043536	MJQCONSKTHQXEU-UHFFFAOYSA-N	318.724	1.880	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C=NNC(=O)NCC2CC2)C1	792988671	YFOWTHBTOQRANJ-MLGOLLRUSA-N	322.409	1.938	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42	798123848	AVKFPRKTMCADLR-UVDRMBIFSA-N	303.431	1.062	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(F)cc2)cc1OCCO	798317384	JBTIQQFYCABNRS-UHFFFAOYSA-N	320.320	1.962	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H]1CCc2cnn(C)c2C1	799001017	AREWHWACUXTPAA-LLVKDONJSA-N	314.393	1.582	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NC[C@@]1(OC)CCOC1	799622635	SQGCBHASKWQREU-INIZCTEOSA-N	307.394	1.989	50	20	DDGD	
COc1c(C(=O)NN=c2cc[nH]cc2Cl)cccc1[N+](=O)[O-]	793823079	DGRNZYJIEPGPEZ-UHFFFAOYSA-N	322.708	1.831	50	20	DDGD	
CCS[C@H](C(=O)NNc1nncc(N)c1Cl)C(C)C	1319220608	SZOHPFDPAULCAO-VIFPVBQESA-N	303.819	1.933	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2Cl)CCO1	1319726522	IQNFPNZPWJQMIH-ZJUUUORDSA-N	311.769	1.852	50	20	DDGD	
CN(C)Cc1cccc(C(=O)NNc2nncc(N)c2Cl)c1	1319209765	SVFGSZZKNWCDBM-UHFFFAOYSA-N	320.784	1.531	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)OCc1csnn1	1318511123	PZWOWDANPYGEKC-UHFFFAOYSA-N	300.771	1.947	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(-c2nc(C)no2)cc1	1320405371	KPQZGIMXFQLXAH-UHFFFAOYSA-N	303.322	1.351	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NCc2cccnn2)nn1	1320934997	NPMSJPIAGBVHOK-UHFFFAOYSA-N	301.354	1.390	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1csc(-c2ccco2)n1	1322110593	PVGSGZDTCFHBEJ-UHFFFAOYSA-N	322.346	1.090	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2ccc(C(F)(F)F)nn2)c[nH]1	1323006208	VYDMEVMHRHSFHM-UHFFFAOYSA-N	313.239	1.249	50	20	DDGD	
O=C(NN=C1CCN(CCC(F)(F)F)CC1)C1CCOCC1	1330904100	OMEWTWTYEUSLHO-UHFFFAOYSA-N	321.343	1.933	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)c2cccnn2)C[C@@H]1C	1331344540	GZGCTXXPVCFOBD-CMPLNLGQSA-N	304.350	1.562	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1CCCCN1Cc1cccc(F)c1	1347054646	CCJSMJORLXLEEJ-MRXNPFEDSA-N	323.412	1.790	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(F)cc1)[C@@H]1CN(C)CCN1C	1263778669	PALOXNQMNCIVJU-RISCZKNCSA-N	309.389	1.086	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1CC[C@H]2C[C@H](C)CN2C1	1348737906	NXYYYXYQAREHDM-TUAOUCFPSA-N	305.382	1.049	50	20	DDGD	
O=C(NN=CCCc1ccc(-c2nn[nH]n2)cc1)c1ccncc1	1606850652	ODDFJEZWHBLWMS-UHFFFAOYSA-N	321.344	1.610	50	20	DDGD	
CSc1nccnc1C(=O)NNc1cccc(C(=O)O)c1C	1607415478	NMGTUEOITYGBLU-UHFFFAOYSA-N	318.358	1.962	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NNc2cccc(C(=O)O)c2F)C1	1609853298	WSJXVNBICAFQAO-SECBINFHSA-N	323.324	1.226	50	20	DDGD	
Cc1cc(=O)c(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)c[nH]1	1600066567	LVWGUBXNPCLMPM-UHFFFAOYSA-N	318.241	1.509	50	20	DDGD	
COc1cccc([C@H](O)C(=O)NNc2cccc(C(=O)O)c2)c1	1607312844	JZDNWQWTWQNLMM-AWEZNQCLSA-N	316.313	1.570	50	20	DDGD	
NCC1(CCNC(=O)NNc2cccc(C(=O)O)c2F)CC1	1601180155	GBGOOTAKNHGFSQ-UHFFFAOYSA-N	310.329	1.279	50	20	DDGD	
CC1(C)OCC(NC(=O)NNc2cccc(C(=O)O)c2)CO1	1609819294	FOEAIETUQNPFAQ-UHFFFAOYSA-N	309.322	1.162	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNc2cccc(C(=O)O)c2F)n1	1600599144	VCQDQYLIFOJBRQ-VIFPVBQESA-N	320.324	1.808	50	20	DDGD	
C[C@](C#N)(CC(=O)O)C(=O)OC[C@@H](CBr)C1CC1	1602781520	BABZRFYJWNMFGU-BXKDBHETSA-N	318.167	1.955	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1605007108	KYMCEXYWHWNFBN-GFCCVEGCSA-N	304.354	1.371	50	20	DDGD	
O=C(CSc1ccccc1O)NN=Cc1ccc(C(=O)O)[nH]1	1610672880	VLNIPAQMNZJRGR-UHFFFAOYSA-N	319.342	1.661	50	20	DDGD	
O=C(NN=C1CCCc2ncccc21)[C@@H]1CN2CCC[C@H]2CO1	1549903892	DFFIGKYLRHUZNT-LRDDRELGSA-N	314.389	1.101	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)NN=Cc1ccccn1	1549318324	XTNJSMMWQAALQJ-DZGCQCFKSA-N	313.361	1.433	50	20	DDGD	
COCC1CCC(=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)CC1	1549315443	PBXAYDIFNRJLQN-JQXSQYPDSA-N	309.410	1.158	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cc(C(=O)O)ccc1Cl	1610261849	RFDKDLXIPBUXOG-XFFZJAGNSA-N	308.721	1.708	50	20	DDGD	
CNc1ccccc1C=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549905368	QSVJWUKUHSUORU-UKRRQHHQSA-N	302.378	1.042	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1CNC[C@H]1Cc1ccccc1	1574546120	YPIWSTKZBKUZLW-HZPDHXFCSA-N	313.401	1.016	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)NCC[C@H](C)N	1575847351	INYGRZWRERFRLE-QMMMGPOBSA-N	300.794	1.617	50	20	DDGD	
CC(C)(C(=O)O)n1ccc(NC(=O)NNc2ccccc2)n1	1588626791	TVWOGIAXNFNKRB-UHFFFAOYSA-N	303.322	1.851	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)c1cscc1-c1nn[nH]n1	1589582304	FMKGVPGHJWXGNX-UHFFFAOYSA-N	308.367	1.125	50	20	DDGD	
CC(C)(C(=O)O)C(=O)NNC(=O)c1cccc2cccnc12	1588618441	LQRLGYUKLZTOCL-UHFFFAOYSA-N	301.302	1.107	50	20	DDGD	
C[C@@H](CC(=O)O)NC(=O)NNC(=O)c1cccc2ncccc12	1589001585	MUSPPPOVTNFSFD-VIFPVBQESA-N	316.317	1.042	50	20	DDGD	
COc1ccccc1NCC(=O)NN=Cc1ccc(C(=O)O)o1	1599714361	TZMKKIBBEPWAFA-UHFFFAOYSA-N	317.301	1.549	50	20	DDGD	
CC1(C)C[C@H](NC(=O)NNc2cccc(-c3nn[nH]n3)c2)CO1	1590083239	SBCJFANBXKHZBM-NSHDSACASA-N	317.353	1.060	50	20	DDGD	
O=C(COc1ccccc1-c1nn[nH]n1)NNc1ccccc1	1592898290	YGDQJEXTWRITKX-UHFFFAOYSA-N	310.317	1.389	50	20	DDGD	
C[C@H](Br)C(=O)N1CCCC12CN(C(=O)C1CC1)C2	1846179794	WPVNEBXPIXGBTD-VIFPVBQESA-N	315.211	1.383	50	20	DDGD	
COc1cccc(O)c1C(=O)NNc1cccc(C(=O)O)c1	1599680230	HIXRPAWKLVONRS-UHFFFAOYSA-N	302.286	1.856	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1594641867	CKUFCURKSHPFRV-WCBMZHEXSA-N	313.379	1.005	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)c1ccnnc1	1593161765	FXLDDRDVLLSSBR-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
COc1cc(NC(=O)NNc2cccc(C(=O)O)c2F)n(C)n1	1599439241	CWZVERUCMSVFCI-UHFFFAOYSA-N	323.284	1.415	50	20	DDGD	
O=C(NN=C[C@H]1CCCOC1)c1cccc(-c2nn[nH]n2)c1	1593155663	WJNGMLMCPMSSMH-SNVBAGLBSA-N	300.322	1.009	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NNc1ccc(C(=O)O)cc1F	1594126351	PPSYHAWXJPPFDB-RKDXNWHRSA-N	308.309	1.972	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@](C)(OC)C1CC1	1599376780	ZCFAUYWSBJSTOZ-OAHLLOKOSA-N	308.334	1.652	50	20	DDGD	
Cc1[nH]c(C=NNC(=O)[C@H]2CCN2C(C)(C)C)cc1C(=O)O	1776098167	ANALWIQZUDEHGL-GFCCVEGCSA-N	306.366	1.344	50	20	DDGD	
O=C(O)c1cc(F)c(C=NNC(=O)c2cnccn2)c(F)c1	1776029298	DRWWOGNVTQHHBR-UHFFFAOYSA-N	306.228	1.217	50	20	DDGD	
CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccc2)cc1	15435317	QMCDGGMGBRLSHG-UHFFFAOYSA-N	318.354	1.165	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cccs1)Cc1cccnc1	161188825	XQNAZQIMEZQVNO-UHFFFAOYSA-N	304.375	1.036	50	20	DDGD	
CC(=O)NNC(=O)Nc1cccc(NC(=O)c2ccoc2)c1	162320801	QOUQXOPCEPFCHE-UHFFFAOYSA-N	302.290	1.705	50	20	DDGD	
C[C@@H]1CC[C@@H](CC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)C1	152605425	XASWBPFFNSYOPP-JHJVBQTASA-N	302.440	1.305	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2cccc(-n3cccn3)n2)c1	152686409	RDXYXQODLGKYGI-UHFFFAOYSA-N	304.313	1.896	50	20	DDGD	
CC(=O)CCCCCCC(=O)NNC(=O)Cn1nc(C)cc1C	159240880	DTISFRRORKZGBF-UHFFFAOYSA-N	322.409	1.577	50	20	DDGD	
CO[C@@]1(CNS(=O)(=O)c2ccc(CCl)cc2)CCOC1	394399803	HMKXBGAJQMXHLM-CYBMUJFWSA-N	319.810	1.509	50	20	DDGD	
CC(C)(C)OC(=O)NC[C@@H]1CCN(S(=O)(=O)CCl)C1	830330902	HUEUUEVCUBGWEC-VIFPVBQESA-N	312.819	1.359	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1[N+](=O)[O-]	6991792	RNVJWZFIGUVRAT-UHFFFAOYSA-N	318.289	1.396	50	20	DDGD	
C=C(C)CNC(=S)NNC(=O)c1cc(Br)c[nH]1	7378070	ZTNOCWUOUQFWTK-UHFFFAOYSA-N	317.212	1.462	50	20	DDGD	
COc1ccc(C)cc1CC(=O)NNC(=S)NC(C)(C)C	8302521	SCUMDUKWDLFEEW-UHFFFAOYSA-N	309.435	1.840	50	20	DDGD	
O=C(/C=C/c1ccccc1)NNC(=O)c1ccc2c(c1)OCCO2	53723057	KOGRIKJYGMBXFL-RMKNXTFCSA-N	324.336	1.932	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccc(C)cc2)C1	21770203	ZRNVBYLQTKQGRK-ZDUSSCGKSA-N	319.361	1.121	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F	116165816	KFTBKVAVEPKWIZ-VHSXEESVSA-N	319.311	1.868	50	20	DDGD	
CC(C)NC(=O)NNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl	117772037	NPLRKOFTZAPTTA-UHFFFAOYSA-N	314.729	1.530	50	20	DDGD	
CCOC(=O)NNC(=O)Cc1ccc(Br)cc1	21771640	AGZRHLVWBIBZLO-UHFFFAOYSA-N	301.140	1.769	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N1CC[C@H](C)[C@H]1C	176993462	WOZTUXQCKIYXDV-CMPLNLGQSA-N	315.377	1.727	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cn1	112825134	FRRXFOXIYXLTPS-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)Cc1cn2ccccc2n1	173878453	AXCYLUXQISMDIO-UHFFFAOYSA-N	322.368	1.575	50	20	DDGD	
Cc1cc(C(=O)NNc2cc(C)ncn2)c(N)c([N+](=O)[O-])c1	172280820	PPFQJFQHKBDEBT-UHFFFAOYSA-N	302.294	1.341	50	20	DDGD	
Cc1noc(C)c1CNC(=O)NNC(=O)c1ccc(C#N)cc1	64227937	GTESSHXWRHAUOI-UHFFFAOYSA-N	313.317	1.307	50	20	DDGD	
CC[C@@H](C)[C@@H](C)NC(=O)NNC(=O)Cc1cn2ccccc2n1	175380405	XAZHJZKPHCXLHG-VXGBXAGGSA-N	317.393	1.642	50	20	DDGD	
COc1ccc(NNC(=O)Nc2cccc([S@](C)=O)c2)nc1	122026084	BKKJQQIBWXRBKV-JOCHJYFZSA-N	320.374	1.976	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCC[C@@H](CC(N)=O)C1	183422122	AJVBKGWPBYJVGO-IAOKNECISA-N	315.348	1.847	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCC[C@H]2CCCCO2)cc1	181134233	OTGJGIRHMRHMHE-CQSZACIVSA-N	316.361	1.461	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H](C)c2c(C)noc2C)nn1	120064900	BQFAQEFSJZMNCI-MRVPVSSYSA-N	304.354	1.820	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc2oc(C3CC3)nc2c1	183636818	BZJLISDKSDGLGN-UHFFFAOYSA-N	318.333	1.894	50	20	DDGD	
CC1CCN(CC(=O)NNc2ccc(C(F)(F)F)nn2)CC1	124504163	WVEMLEFIOUUIKP-UHFFFAOYSA-N	317.315	1.670	50	20	DDGD	
C[C@@H]1CCC[C@H](CC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)C1	76710588	LWAWHAMPIPTTIR-HZSPNIEDSA-N	316.467	1.695	50	20	DDGD	
CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)NNc2cccnn2)C1	78354812	PGUYOWIKMNUUNX-HJTOQOCKSA-N	311.411	1.183	50	20	DDGD	
CC[C@@H]1C[C@@H](C(=O)NNC(=O)CNc2ccccc2)CCO1	182943067	SBPUBUVHLLWYFX-GXTWGEPZSA-N	305.378	1.451	50	20	DDGD	
COC[C@H](C)NS(=O)(=O)c1ccc(NC=C(C#N)C#N)cc1	78608442	HGQYBQQHFCAPGQ-NSHDSACASA-N	320.374	1.343	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)Cc1ccoc1	120262770	YQVVBEVBQARYTJ-UHFFFAOYSA-N	302.330	1.611	50	20	DDGD	
CCCCn1ncc(NC(=O)C(=O)NNC(=O)[C@@H](C)CC)c1C	124688712	XUASDXLXHMTHQV-JTQLQIEISA-N	323.397	1.124	50	20	DDGD	
COc1ccc(NNC(=O)Cn2c(C)nc3ccccc32)nc1	187475199	CWUGRIBBFDXTJV-UHFFFAOYSA-N	311.345	1.892	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)c1ccc2nncn2c1	76462191	OCODMMDZNVRJCZ-UHFFFAOYSA-N	321.300	1.536	50	20	DDGD	
CCNC(=O)NNC(=O)c1cccnc1SC(F)(F)F	49164048	IXLGRGJLLQMINR-UHFFFAOYSA-N	308.285	1.657	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccccc1C(F)(F)F)C(=O)N(C)C	46968211	CEHRKZJZWXQXDF-MRVPVSSYSA-N	318.299	1.808	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCCCOCC1CC1	45131555	XGGDYWRPSNYAFF-UHFFFAOYSA-N	323.368	1.515	50	20	DDGD	
N#Cc1csc(C(=O)NNC(=O)c2ccc(Cl)nc2)c1	84274705	BLKJVPCPHYUCDS-UHFFFAOYSA-N	306.734	1.743	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1nc2ccccn2n1)N1CCCCC1	191897899	KZSKSDBSYXTRCS-AWEZNQCLSA-N	316.409	1.683	50	20	DDGD	
Cn1cc(/C=C/C(=O)NNC(=O)C(C)(C)O)c2ccccc21	190067845	WGZKWTKVLXXLHT-CMDGGOBGSA-N	301.346	1.110	50	20	DDGD	
CCOCCCC(=O)NNC(=O)NCc1ccc(Cl)cc1	191588034	XHPVUTUELVIKJD-UHFFFAOYSA-N	313.785	1.987	50	20	DDGD	
COC(=O)NCC(=O)NNc1cccc(Br)c1	97106325	ODDKJLAEPKGQCK-UHFFFAOYSA-N	302.128	1.248	50	20	DDGD	
CC/C=C(/C)C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	142561111	SXDPDHMBAIBZNT-XGICHPGQSA-N	304.346	1.656	50	20	DDGD	
COc1ccc2cc(C(=O)NNC(=O)c3ccc[nH]3)c(C)nc2c1	96991776	PFKZZMIRJCLYKW-UHFFFAOYSA-N	324.340	1.955	50	20	DDGD	
Cc1cnc(NC(=O)NNC(=O)COc2ccccc2F)s1	146738318	RZBSTSFIYWYNQR-UHFFFAOYSA-N	324.337	1.822	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)c1ccc[nH]1	96951312	KZMTWSGUBNUVQK-UHFFFAOYSA-N	304.262	1.006	50	20	DDGD	
COc1ccccc1C/C(C)=C\C(=O)NNC(=O)c1ccc[nH]1	255754374	JOGUQNWGICCAPC-QXMHVHEDSA-N	313.357	1.973	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNc2nc(-c3ccncc3)no2)O1	268076013	BSNNIEGPARKOEK-MNOVXSKESA-N	303.322	1.532	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)[C@H]1CCCS1	266595741	ORONFOIDEIPAPV-GFCCVEGCSA-N	304.375	1.079	50	20	DDGD	
CS[C@@H](C)CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	270128276	MWALUEQCODFSAV-CABZTGNLSA-N	310.375	1.115	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCn2ccnc2C)c1	272573900	IPHZZZTYWSWMOR-UHFFFAOYSA-N	317.349	1.304	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNc1nnc(C2CC2)s1	273547746	AWHCACGDSMQMCL-UHFFFAOYSA-N	304.379	1.833	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H](C)Cn2cccn2)c1	272664592	NUKPJLFJTNYSSW-NSHDSACASA-N	317.349	1.385	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)NOCCC(F)(F)F	276682237	FPUHIRWUGOLKFI-UHFFFAOYSA-N	304.232	1.239	50	20	DDGD	
COc1cc(C(=O)NNc2nc(C(F)(F)F)cs2)nn1C	275123627	NJKUWPMDHGIUCA-UHFFFAOYSA-N	321.284	1.661	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccccc1O)[C@H]1CCCCO1	272167073	YDNLRKDVBGVPLV-ZWNOBZJWSA-N	307.350	1.294	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@@H]1CCc2[nH]ncc2C1	270088411	BTLXMMFIZROMJS-LLVKDONJSA-N	316.336	1.044	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCC[C@H](OC)C1	271328607	ZNBMMQUTOVRYMU-NSHDSACASA-N	307.350	1.160	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc(OCC(F)(F)F)cn1	277342436	FSRSUJCLEFJPSF-UHFFFAOYSA-N	319.283	1.830	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccc(F)c(N2CCOC2=O)c1	281137083	VMEPTDSBRGCYEE-UHFFFAOYSA-N	322.296	1.345	50	20	DDGD	
CC1=CCCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1	280815605	MRAJAAHPWIKWHV-UHFFFAOYSA-N	318.333	1.008	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc3c(c2)N(C)CCO3)n1	376975013	QHCFPOHDFDDUBH-UHFFFAOYSA-N	314.345	1.676	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)N[C@H](C)CF	288428067	SOEKCJABQYSTIP-BDAKNGLRSA-N	317.748	1.796	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNC(=O)c1ccccc1OC	289731731	MQMOKIOBDRPYNG-JTQLQIEISA-N	308.334	1.046	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC[C@@H]2CCCC2(C)C)n1	297227010	FPGKVWKBJANOIN-ZDUSSCGKSA-N	321.425	1.657	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)Nc1cccc2c1CNC2=O	806754274	OBTAFDSCWMLTNT-UHFFFAOYSA-N	323.316	1.121	50	20	DDGD	
Cc1cccc(C)c1OCC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	293149200	RNQIWWJCDYDHPB-STQMWFEESA-N	306.362	1.397	50	20	DDGD	
C[C@@H](COc1cccc(F)c1)NC(=O)NNC(=O)C(C)(C)C	299050405	OXDGWHXLROPYFE-JTQLQIEISA-N	311.357	1.970	50	20	DDGD	
COC(=O)NNC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1	298316443	WMNIDSCMXVGAAF-UHFFFAOYSA-N	307.350	1.101	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCCO1)C(=O)NNC(=O)c1ccccc1F	299355673	XAJJTZCYOMCJOO-NEPJUHHUSA-N	324.352	1.561	50	20	DDGD	
COc1cccc([C@@H](C)CC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	293915259	ARCKVZXGSXJOAJ-HUBLWGQQSA-N	320.389	1.904	50	20	DDGD	
Cc1cc(NNC(=O)c2ccnc(NC(=O)C3CC3)c2)ncn1	806863208	AKPVMKRJFQFEBW-UHFFFAOYSA-N	312.333	1.285	50	20	DDGD	
CN(NC(=O)c1ccnc(N2CCCC2)n1)C(=O)OC(C)(C)C	297708171	PZTGXHNTZHIPSD-UHFFFAOYSA-N	321.381	1.589	50	20	DDGD	
CCC[C@H](CC)NC(=O)NNC(=O)[C@H]1COc2ccccc2O1	299347008	PNYIZWYRZYKSQT-SMDDNHRTSA-N	321.377	1.736	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc(F)ccc2[N+](=O)[O-])O1	293906060	LWVLMQJMEPYBMC-CPCISQLKSA-N	311.269	1.062	50	20	DDGD	
CCOC(=O)C[C@@H](C)CNC(=O)NNc1cccc(Cl)n1	292923588	DNMTVMHLIWRCHB-SECBINFHSA-N	314.773	1.950	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)N[C@H]2CC2(C)C)cc1C	299097836	WSBYOXILIMBLCF-LBPRGKRZSA-N	318.377	1.371	50	20	DDGD	
CCN(CC)CC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802117974	JGXDNHLMCAEJCZ-UHFFFAOYSA-N	307.398	1.247	50	20	DDGD	
COCCN(C)NC(=O)c1cc(C)c(OCC(=O)OC)c(C)c1	296978319	FDSNQJUMVIVZDD-UHFFFAOYSA-N	324.377	1.078	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC2CC2)c(C)n1-c1nccs1	299268051	ZOIYHQAYNITBIO-UHFFFAOYSA-N	319.390	1.657	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)NC3CCCC3)[nH]n2)o1	299373585	WKPHUWPKVJSTOR-UHFFFAOYSA-N	317.349	1.865	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1cc([N+](=O)[O-])ccc1N	814793444	FMEVUTJVEQFDIM-UHFFFAOYSA-N	300.278	1.121	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H](C)[C@H](C)COC	812446006	JIYLNOJABROHAG-CHWSQXEVSA-N	322.405	1.694	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1c(Cl)nc(Cl)n1C	814865231	OSPCAJDGWHPPBP-ZETCQYMHSA-N	323.180	1.229	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)c1cn(C)c2ccccc12	811636769	NBBXLDMJPGCFTO-GFCCVEGCSA-N	312.373	1.953	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)CNc1ccc(C)cc1	812456039	MTXIZRLHFJCJIW-OLZOCXBDSA-N	307.394	1.473	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)O)CCC1=NNC(=O)CNC(=O)c1ccco1	814826967	OQEKGZLDKZDACB-ZJUUUORDSA-N	321.333	1.002	50	20	DDGD	
CN(C)c1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)CC2CC2)cc1	819139947	AZFGRSKHZLJZMW-LSDHHAIUSA-N	301.390	1.804	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cnc3ccccc3n2)c1	728828512	SAPMFNBTCZKAMW-UHFFFAOYSA-N	317.308	1.576	50	20	DDGD	
COc1ccc2nc(NNC(=O)c3ncn(C)n3)c(C)cc2c1	810953091	XDAUTSHRYMTCHS-UHFFFAOYSA-N	312.333	1.437	50	20	DDGD	
CCOC(=O)c1cnc(C)c(C(=O)NCCCSC#N)c1	816539501	ILNHAVPIEGDGQC-UHFFFAOYSA-N	307.375	1.901	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCOC1CCCC1	825821060	FQKXWPHTVBGSPK-AAEUAGOBSA-N	313.398	1.091	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CNc2ccccc2)c2n[nH]cc2c1	729513816	RJPJSEPWNZKZKJ-UHFFFAOYSA-N	323.356	1.744	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NN=c2cc[nH]cc2)cc(C#N)n1C	490845868	TZDCXCDWYKPLDA-NTUHNPAUSA-N	306.329	1.072	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)CNC(=O)c2cccs2)CC=CCC1	822970123	LDEBWHQURJYFQO-HNNXBMFYSA-N	321.402	1.372	50	20	DDGD	
CC(=NNC(=O)NCCNC(=O)OC(C)(C)C)c1ccco1	491549591	MSZJKTTZIRCOJQ-UHFFFAOYSA-N	310.354	1.828	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H](C)OCC(C)C)c(C)c1	728205249	VXKYXSREMUUYFR-CQSZACIVSA-N	321.421	1.924	50	20	DDGD	
C[C@H]1CCC[C@]1(C)C(=O)NNC(=O)COc1ccc(C#N)cc1	822195877	LBSGCVTUMOJUNC-SJCJKPOMSA-N	315.373	1.911	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc2[nH]c3c(c2c1)CN(C)CC3	823889278	PHBQQDMHRYKEQD-UHFFFAOYSA-N	316.405	1.115	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1	823950840	FSFIONRGYJGOGU-CXAGYDPISA-N	319.405	1.025	50	20	DDGD	
CN(C)CC(C)(C)CNC(=S)NN(C)C(=O)OC(C)(C)C	491118743	VGGLJZPHWWPGIT-UHFFFAOYSA-N	318.487	1.820	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCC[C@@H](c2ccccc2)CC1	584939268	IBLKYBXOFRQWRF-MRXNPFEDSA-N	323.201	1.776	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(F)c(Br)cc1F	823906865	DPKNJAZFJQQMHB-ZCFIWIBFSA-N	323.137	1.685	50	20	DDGD	
C[C@H]1CCC[C@]1(C)C(=O)NNC(=O)Cc1cn2ccccc2n1	826759625	YDLBFXPELSQOHS-SJCJKPOMSA-N	314.389	1.851	50	20	DDGD	
CC(C)C[C@@H](C)n1nccc1NC(=O)c1ccc(B(O)O)cc1	584991559	DEJUXEYUWXSICW-GFCCVEGCSA-N	315.182	1.422	50	20	DDGD	
C[C@@]1(C(=O)N2CCC3(CC2)COC(=O)N3)C[C@H]1Br	907337600	SCDXFAOGDIYUBO-LDYMZIIASA-N	317.183	1.261	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2C[C@H](Oc3ccccc3)C2)c(F)c1	585046793	BWNLVKYFUSPZEO-KOMQPUFPSA-N	315.153	1.205	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H](OC)c1cccc(OC)c1	823755751	KXVHPJCOQRTUPW-CYBMUJFWSA-N	309.366	1.513	50	20	DDGD	
Cc1nnc(NNC(=O)C2CC(c3ccc(F)cc3)C2)nc1O	824044320	NYXZNYUQKZAZSC-UHFFFAOYSA-N	317.324	1.662	50	20	DDGD	
CCN(CCO)NC(=O)C(C)(C)c1ccc(OC)c(OC)c1	823865428	QDFWKDIHYRPKEE-UHFFFAOYSA-N	310.394	1.327	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cnc(NC2CC2)s1	908517787	QEDGVQXGTYHQIU-VIFPVBQESA-N	310.379	1.048	50	20	DDGD	
CCOc1ccc(OCCCC(=O)N2CC[C@@H](B(O)O)C2)cc1	585073972	GXSXBAVZLLKYQR-CYBMUJFWSA-N	321.182	1.320	50	20	DDGD	
Cc1cccc2sc(NNC(=O)CCS(C)(=O)=O)nc12	828367546	RPMQYTBSGSXDLB-UHFFFAOYSA-N	313.404	1.483	50	20	DDGD	
Cc1ccc(OCc2ccc(C(=O)NCB(O)O)o2)c(C)c1	585062968	XVFZECUXLKDRJZ-UHFFFAOYSA-N	303.123	1.217	50	20	DDGD	
C[C@]1(C(=O)N2CCS[C@@H]3COCC[C@@H]32)C[C@@H]1Br	907053030	ADZSDJYPYNVHGH-WYFGTUCQSA-N	320.252	1.893	50	20	DDGD	
CC[C@@H]1CN(C(=O)[C@]2(C)C[C@@H]2Br)C[C@H](C)[S@@]1=O	908145437	MZMFEYZABIMDJV-FNRKEASCSA-N	322.268	1.918	50	20	DDGD	
C[C@]1(C(=O)NC[C@@H]2COC3(CCCC3)O2)C[C@H]1Br	907214197	OYOXRPYRFMLMJN-FOGDFJRCSA-N	318.211	1.962	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H]2C[C@@H]2C(=O)O)c1	738573807	KYBPDJRBOLOTIL-ZJUUUORDSA-N	307.375	1.342	50	20	DDGD	
Cc1nc(-c2cccc(C(=O)N3CC[C@H](B(O)O)C3)c2)cs1	585068828	FOHXGEDVGHZSRX-ZDUSSCGKSA-N	316.191	1.807	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNC(=O)c1ccc2c(c1)OCCO2	491771394	OORIMOQANOWZBM-LBPRGKRZSA-N	317.345	1.204	50	20	DDGD	
OB(O)[C@H]1CCN(c2cc(SCc3ccccc3)ncn2)C1	900967011	WMUNNSUYEVWNOJ-ZDUSSCGKSA-N	315.207	1.822	50	20	DDGD	
CCN(CC)C(=O)CN(C)C(=O)[C@@]1(C)C[C@H]1Br	905348931	GJASQMFKWITSJT-SKDRFNHKSA-N	305.216	1.487	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@H]2CSC[C@H]2C)cc1	836454643	VCOBMUNVBXIGJS-SKDRFNHKSA-N	324.406	1.782	50	20	DDGD	
CC(C)(O)C(C)(C)CNC(=O)NNC(=O)c1cccc(C#N)c1	836276280	HNKCYZIILVIXIO-UHFFFAOYSA-N	318.377	1.299	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NN=C2CCNC(=O)CC2)c1	834922223	CITFQMJXINUWCW-UHFFFAOYSA-N	303.362	1.455	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(CCCCNCc2ccccc2B(O)O)C1	585016340	VZDFBZOQVQQYFV-IYBDPMFKSA-N	318.270	1.214	50	20	DDGD	
CCOC(=O)C[C@H](C)S[C@H](C)C(=O)NNC(=O)CC(C)C	734980903	CPOGPXMSWXLQMC-WDEREUQCSA-N	318.439	1.643	50	20	DDGD	
O=C(NNc1ccc(Br)nc1)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	839681483	QPCGVNIVXAECTC-SFGNSQDASA-N	324.178	1.902	50	20	DDGD	
N#CC1(CNC(=O)NNC(=O)Nc2cc(F)cc(F)c2)CC1	838576193	HKLDAJBRLAIGID-UHFFFAOYSA-N	309.276	1.604	50	20	DDGD	
CCCCCCNC(=O)COC(=O)/C(C#N)=C/c1cnn(C)c1	837969274	KUUVINSJVABOHA-RIYZIHGNSA-N	318.377	1.567	50	20	DDGD	
COc1ccc([C@H]2C[C@H](NCc3ccc(B(O)O)o3)C2)cc1F	585041846	HRCOCIDOSGYGEC-HAQNSBGRSA-N	319.141	1.143	50	20	DDGD	
OB(O)c1cccc(CN[C@H]2CCC[C@@H]2Oc2ccccc2)c1	585024269	WAASZTPKYCAYIU-ROUUACIJSA-N	311.190	1.456	50	20	DDGD	
CC[C@@H](NCc1cccc(B(O)O)c1)c1ccc(F)cc1F	585029767	UDQCUJJCSJEGSD-MRXNPFEDSA-N	305.133	1.886	50	20	DDGD	
C[C@H](C[C@H]1CCCO1)c1nc(-c2cccc(B(O)O)c2)no1	585052644	SQXAJJUIQLDPAA-ZWNOBZJWSA-N	302.139	1.089	50	20	DDGD	
COc1cc(C)c(C(=O)NNC(=O)[C@@H]2CCCCO2)cc1OC	833246911	UHPOGRFIDZHOAX-LBPRGKRZSA-N	322.361	1.342	50	20	DDGD	
C[C@H]1CC=C(C(=O)NNC(=O)COc2ccc(C#N)cc2)CC1	836206720	AOUKGRLJBFWXNC-LBPRGKRZSA-N	313.357	1.831	50	20	DDGD	
C[C@H](CSCc1ccccc1)C(=O)NNC(=O)c1ncon1	832826431	ZTEZZQDZNIXUEJ-SNVBAGLBSA-N	320.374	1.400	50	20	DDGD	
C[C@@H](NCc1ccc(B(O)O)cc1)[C@@H]1OCCc2sccc21	585043524	QLNFNXWXAJZATF-BZNIZROVSA-N	317.219	1.220	50	20	DDGD	
CCN(CC)C(=O)CCCNC(=O)[C@]1(C)C[C@@H]1Br	906179735	XQYWPIHXLAGACT-GXFFZTMASA-N	319.243	1.925	50	20	DDGD	
O=C(NNc1cccc(Cl)c1Cl)[C@@H]1CCS(=O)(=O)C1	838341420	CGBOQWOFPVFENK-SSDOTTSWSA-N	323.201	1.871	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCO[C@@H](c3cccs3)C2)o1	585044329	FNRFVJRSSQZCQW-CMPLNLGQSA-N	307.180	1.031	50	20	DDGD	
COCCCNC(=O)NN=C[C@@](C)(CN(C)C)c1ccccc1	834947071	YYBLYJLXDVJQET-KRWDZBQOSA-N	320.437	1.827	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)NCc1ccc(Cl)cc1	732927260	JMRVXOMKLUMBCC-UHFFFAOYSA-N	317.798	1.560	50	20	DDGD	
CC(=NNC(=O)[C@H](C)Oc1ccc(F)cc1)c1cnccn1	734747232	SSMVIEPAUNQICT-NSHDSACASA-N	302.309	1.923	50	20	DDGD	
CCOCC(=O)NN=C1CCN(Cc2ccccn2)C[C@@H]1C	734365148	RXDOOEHOOITRSH-ZDUSSCGKSA-N	304.394	1.432	50	20	DDGD	
COCCN(C)NC(=O)[C@@H](NC(=O)CC(C)C)c1ccccc1	837623224	NYZBODKXPHWZNR-INIZCTEOSA-N	321.421	1.499	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=Cc2ccc([N+](=O)[O-])o2)cc1	916300281	XBMRWRLRMIOMPZ-UHFFFAOYSA-N	314.257	1.589	50	20	DDGD	
Cc1ncsc1C=NNC(=O)COc1ccccc1[N+](=O)[O-]	743427734	XPFWSSNRQNUQOR-UHFFFAOYSA-N	320.330	1.889	50	20	DDGD	
Cc1ccccc1C(=O)NN[C@H](C(=O)O)c1cccc(C#N)c1	832976839	GHHWJADHWLYVCW-HNNXBMFYSA-N	309.325	1.927	50	20	DDGD	
Cc1nc(C(=O)NNc2ccc(Cl)nn2)c2ccccn12	741287291	RZBCQNSTIVJHEO-UHFFFAOYSA-N	302.725	1.843	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)c2cc3ccccc3o2)no1	749557896	GFBRRBYRPBIFNX-UHFFFAOYSA-N	314.301	1.873	50	20	DDGD	
O=C(NN=C1CCN(Cc2ccccn2)CC1)N1CCOCC1	745592050	NWENKCNWQMHRNJ-UHFFFAOYSA-N	317.393	1.075	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccc2[nH]ccc2n1	912111708	XGTGCUMLWYVMHC-UHFFFAOYSA-N	303.391	1.472	50	20	DDGD	
CCSc1ccccc1CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	911503476	VGNFRVCDCDJOCJ-DGCLKSJQSA-N	322.430	1.914	50	20	DDGD	
CCS(=O)(=O)C[C@H](C)NC(=O)NNc1ccc(F)c(F)c1	918621754	RFJFSHMBAOPJCA-QMMMGPOBSA-N	321.349	1.414	50	20	DDGD	
CC(C)(C)[C@H](NS(=O)(=O)c1ccc(CCl)cc1)C(N)=O	914237033	LNLVXLKJBGMBQC-LLVKDONJSA-N	318.826	1.604	50	20	DDGD	
CC(C)[C@@H](C(=O)Nc1cccc(NC(=O)NN(C)C)c1)N(C)C	843870503	HRFBTSNYBJWNER-AWEZNQCLSA-N	321.425	1.809	50	20	DDGD	
CSCc1cccnc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843656253	AJVLKSSVAZRGQP-KOLCDFICSA-N	309.391	1.131	50	20	DDGD	
COc1ccc(NNC(=O)CNC(=O)c2cccs2)cc1	746886903	OGCUIZMWJWFGST-UHFFFAOYSA-N	305.359	1.630	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)C1CC(O)(c2cccc(Cl)c2)C1	910185026	WXRCRLRIHNTIKU-NLTNOIMHSA-N	312.797	1.281	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1nccn1CC(F)(F)F	842557021	PWOHARYRRACGHY-BDAKNGLRSA-N	304.272	1.321	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=CCCc1ccc2c(c1)OCCO2	842551001	BEMFAGOIDRCHMV-OCCSQVGLSA-N	318.373	1.917	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H](C(=O)OC(C)(C)C)C1CCCC1	910140223	XJHMFROGTNPAKO-WCQYABFASA-N	314.426	1.478	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H](C)[C@](C)(OC)C2CC2)n1	840416521	MMOOAUYXRAFRAH-OTYXRUKQSA-N	309.370	1.315	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(C)c1	843645037	QGLXRLBQRJFNCO-KBPBESRZSA-N	320.389	1.645	50	20	DDGD	
COc1cccc(/C(C)=C\C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	843654908	SXVZCMKPEAFOOA-XCBKDKHNSA-N	318.373	1.671	50	20	DDGD	
CC(=O)NNC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl	918688719	PDPRJUHTEHMJTC-LURJTMIESA-N	318.160	1.279	50	20	DDGD	
Cc1ccc(NNC(=O)NCCOc2ncccc2F)nn1	746797160	YEHONBWCJWFHIU-UHFFFAOYSA-N	306.301	1.024	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2ccc(-n3cccn3)nn2)CS1	840415855	ITMWGUWVGFIJBG-NXEZZACHSA-N	319.394	1.182	50	20	DDGD	
Cc1ncsc1C=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1	743429664	WKGNKIWTNKXZCV-UTUOFQBUSA-N	324.450	1.647	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)NC2CCCC2)C1	746174911	VWIOIVBSTORPIC-GHMZBOCLSA-N	311.382	1.239	50	20	DDGD	
CCOCC1(C(=O)NNc2ccc(CC(=O)OC)cc2)CC1	846375654	HIZLJUDTAMWXQB-UHFFFAOYSA-N	306.362	1.662	50	20	DDGD	
O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21	913733199	ZGTAZKCBTVSFPW-HZSPNIEDSA-N	321.421	1.363	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1c[nH]nc1-c1ccsc1	843971092	ORCBWSPQEYMTOQ-SCZZXKLOSA-N	320.374	1.324	50	20	DDGD	
Cc1nc(C=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)cs1	916344580	BYUMHTCDTUVZQM-UHFFFAOYSA-N	305.319	1.706	50	20	DDGD	
O=C(NNc1ncccc1Cl)[C@@H]1CCCN1C(=O)C1CC1	844134618	NLJAVKIHKXVMRM-NSHDSACASA-N	308.769	1.579	50	20	DDGD	
O=C(COC1CCOCC1)NNc1cc(F)c(F)c(F)c1	746706907	OOOFBMLALDKRTL-UHFFFAOYSA-N	304.268	1.743	50	20	DDGD	
CCc1ccc([C@H](C)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	843646240	INOFZPSSPVNBMQ-SLEUVZQESA-N	304.390	1.925	50	20	DDGD	
CC1=C(C(=O)NC[C@@]2(C)C[C@H]2Br)C(=O)OC1(C)C	857400951	JXTVPSKDXDXAFM-AMIZOPFISA-N	316.195	1.928	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)C1CCC1)N1CCc2ccccc21	847482052	GEONLSZYJARHET-LBPRGKRZSA-N	301.390	1.775	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1cccc(-c2ccncc2)c1	741462655	TYAFWOQGFQHCBS-UHFFFAOYSA-N	322.368	1.867	50	20	DDGD	
CC(=NNC(=O)Cn1nc(C)cc1C)c1cc(C)c(O)c(O)c1	841611439	RSZQHIBLADRQKX-UHFFFAOYSA-N	316.361	1.760	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(Cl)c1	843653555	XJEZJZATHURPPW-WCBMZHEXSA-N	312.753	1.535	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H]1CCCCO1)c1ccccc1	840777405	ZTRWKGRJQNNYCM-AAEUAGOBSA-N	307.419	1.812	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)COc2ccccc2C#N)CCN1C	741457042	MVMKBWHBVGQIBZ-GFCCVEGCSA-N	300.362	1.523	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNc1cccc(S(C)(=O)=O)c1	841413312	KDZLDJQCXAWQPH-ZDUSSCGKSA-N	314.407	1.594	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)cc1)N[C@H]1CCS(=O)(=O)C1	920381358	REMJWESYLFMUCZ-NSHDSACASA-N	315.782	1.160	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1cnnn1-c1ccccc1	844550028	SYJRHXNXVRSGGB-RAXLEYEMSA-N	311.345	1.327	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H](C)c2cn(C)nc2C)c1	858183859	GVMIOJZNZHJBSP-VIFPVBQESA-N	321.406	1.804	50	20	DDGD	
CSSCCNc1noc2ccc(S(N)(=O)=O)cc12	853585489	YZFAUMFWRMHWNI-UHFFFAOYSA-N	319.433	1.898	50	20	DDGD	
CN(C)[C@H](C(=O)NNc1cnnn1C)c1ccc(Cl)cc1	857269731	GHNJEHQQSCSFDI-LBPRGKRZSA-N	308.773	1.215	50	20	DDGD	
Cn1cncc1CCC(=O)NC[C@]1(C)C[C@@H]1Br	857390424	DVUFLRVWBILUAU-JQWIXIFHSA-N	300.200	1.642	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1cnn(-c2ccccn2)c1	756704529	HEMSNUYOWZJNFN-UHFFFAOYSA-N	323.316	1.129	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H](CO)CC2CC2)C[C@H]1Br	856896446	CHQBYHFPLWFXOM-CKYFFXLPSA-N	305.216	1.620	50	20	DDGD	
Cc1cc(NNC(=O)C2=NN3CCCN=C3N2)ccc1Cl	928340370	XZOCOVIGGHGFGL-UHFFFAOYSA-N	306.757	1.070	50	20	DDGD	
CNC(=O)NN=C1C(=O)Nc2cc(OC(F)(F)F)ccc21	920377800	NQBUCVQXYNHWOK-UHFFFAOYSA-N	302.212	1.170	50	20	DDGD	
Cc1cc(NNC(=O)CN2CCCS2(=O)=O)ccc1Cl	928342185	RGRMRGXFIVIELY-UHFFFAOYSA-N	317.798	1.127	50	20	DDGD	
COc1cccc(C2=NO[C@H](C(=O)NCCCSC#N)C2)c1	854359946	YGOCLFQSQIQZCO-AWEZNQCLSA-N	319.386	1.909	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccc(C(N)=O)[nH]2)C[C@@H]1Br	857388709	VECDURMZDORZAQ-KWQFWETISA-N	300.156	1.017	50	20	DDGD	
C[C@@]1(CNC(=O)CCOCC(F)F)C[C@H]1Br	857390585	GBXMIJXCNSNLPI-XCBNKYQSSA-N	300.143	1.948	50	20	DDGD	
Cc1cc(=NNC(=O)NCCN2CCc3ccccc32)cc[nH]1	926806695	GIWPRLLULNTVMC-UHFFFAOYSA-N	311.389	1.501	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2c(O)cccc2O)c1	756764159	GENDCHVFMPDXED-UHFFFAOYSA-N	315.329	1.239	50	20	DDGD	
CCc1cnc(NC(=O)C(=O)NNc2cc(C)ccn2)s1	756189427	KFULBUZTPILTOC-UHFFFAOYSA-N	305.363	1.491	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1ccccc1O)[C@@H]1CCCO1	756736112	ANMMRCAYYTZUKJ-AAEUAGOBSA-N	307.350	1.294	50	20	DDGD	
COCC(=NNC(=O)c1nnc(O)c2ccccc12)C1CC1	754258365	LTCIHYNUQBSEAX-UHFFFAOYSA-N	300.318	1.478	50	20	DDGD	
COc1ccccc1C/C(C)=C\C(=O)NNc1cnnn1C	857273711	UYSNGGZQOQJHIZ-LUAWRHEFSA-N	301.350	1.456	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cccc(NC(C)=O)c1C	755624502	HEVAKVIKPPEFNW-UHFFFAOYSA-N	308.338	1.143	50	20	DDGD	
CCOCCn1cc(C(=O)NNC(=O)Nc2ccccc2)cn1	857721102	ZOVUJZKNXNATEX-UHFFFAOYSA-N	317.349	1.386	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC2(C#N)CC2)c1C	854035856	HWLYOPMEINKSTN-UHFFFAOYSA-N	302.334	1.712	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc([N+](=O)[O-])cc1F)c1ncn(C)n1	854012053	FQYWDLAMOCOYRA-SSDOTTSWSA-N	323.288	1.250	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)c2ccc(OC)c(OC)c2)O1	756901234	LEUJYYINFKHVPK-DGCLKSJQSA-N	322.361	1.422	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cnn(CC(C)C)c1C	930613844	PHXOJWSQLHAJMC-UHFFFAOYSA-N	305.382	1.804	50	20	DDGD	
O=C(CO)NNC(=O)COc1ccc(Cl)c2ccccc12	753442426	GIZPZBYILSGYEP-UHFFFAOYSA-N	308.721	1.012	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)c1cccc(C)c1)[C@H]1CCCO1	754513788	HRNYAVNCDAPUNN-HUUCEWRRSA-N	319.405	1.303	50	20	DDGD	
CC(=O)N/C(=C\c1cccs1)C(=O)NN[C@@H](C)C(F)(F)F	862322370	HVQRVPWWOHTYQV-LOBLAWFCSA-N	321.324	1.797	50	20	DDGD	
CSCC[C@H](NC(N)=O)C(=O)NNc1cc(F)ccc1C	862168121	NAMDJVOQTMHAET-JTQLQIEISA-N	314.386	1.367	50	20	DDGD	
Cc1ccn2ncc(C(=O)NNc3nccnc3Cl)c2c1	766851729	HJHDKHUKKMIPKT-UHFFFAOYSA-N	302.725	1.843	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21)C(F)(F)F	862321692	CGWACWOCOITXLK-AXTSPUMRSA-N	307.316	1.253	50	20	DDGD	
COC(=O)c1cc(NCc2ccccc2B(O)O)c(C)cc1C	864011074	NUQFLSOBFRWXLL-UHFFFAOYSA-N	313.162	1.382	50	20	DDGD	
COC(=O)c1coc(/C=C\C(=O)NNC(=O)CC(F)(F)F)c1	869021305	SHYYFHZVISFABU-IHWYPQMZSA-N	320.223	1.179	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@@H](OC)c1cccc(OC)c1	862370927	VZOCARZVZZFRGR-BMOGTNHUSA-N	304.346	1.943	50	20	DDGD	
C=C(CBr)COC(=O)c1cnn(CCOC)c1	869742812	RJXSZSJYMJMIEV-UHFFFAOYSA-N	303.156	1.637	50	20	DDGD	
COc1ncccc1NC(=O)NNCC(F)(F)C(F)(F)F	860459088	UCAYGJQIVWPBFZ-UHFFFAOYSA-N	314.214	1.914	50	20	DDGD	
CON(CC(=O)NNC(=O)C(C)C)[C@H](C)c1csc(C)n1	931546191	ZFPHIDBZLJBFCZ-SECBINFHSA-N	314.411	1.179	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H]2CCCN2Cc2ccccn2)cc[nH]1	862511049	DUHPGCFXBGEPKB-INIZCTEOSA-N	311.389	1.315	50	20	DDGD	
CCCCCc1ccc(NC(=O)C(=O)NNC(=O)COC)cc1	764304333	YEHPYKBHUQUSDI-UHFFFAOYSA-N	321.377	1.152	50	20	DDGD	
COc1cccc([C@H](O)C(=O)NN=c2cc[nH]cc2Cl)c1	768451825	KUNWWMDMCKBGJT-ZDUSSCGKSA-N	307.737	1.342	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCC1CN(C(=O)OC(C)(C)C)C1	762432443	RTWVFAIBNPPLBY-XYOKQWHBSA-N	309.366	1.413	50	20	DDGD	
C[C@@H](NNC(=O)c1cc(N2CCOCC2)ccn1)C(F)(F)F	862304706	DYRFSKKABKCBDK-SECBINFHSA-N	318.299	1.103	50	20	DDGD	
Cc1cc(Cl)cc2c1OCC2=NNC(=O)[C@@H]1CCC(=O)N1	863150463	UZNNRCRDULTWRE-JTQLQIEISA-N	307.737	1.140	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1nc(C2CC2)cs1	1118185445	CMPOTTYLUBKVLV-WPRPVWTQSA-N	324.406	1.276	50	20	DDGD	
CC(C)COC(=O)N1CCC(C(=O)NNc2ccn(C)n2)CC1	1117985643	SEIJAUIZLSNHTJ-UHFFFAOYSA-N	323.397	1.368	50	20	DDGD	
CCCN(C)CC(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1	768267792	CPJXVKGPGNCDDD-UHFFFAOYSA-N	321.406	1.241	50	20	DDGD	
COc1cc(F)c(NC(=O)NNc2ncccn2)cc1OC	775610578	QZJYHELALIWPNK-UHFFFAOYSA-N	307.285	1.782	50	20	DDGD	
COc1c(C(=O)NNc2nccnc2C(C)C)c(C)nn1C	772843745	HXXKQFUKSBEQNI-UHFFFAOYSA-N	304.354	1.407	50	20	DDGD	
COCCOCC(=O)NN=Cc1c[nH]c2ccc(C#N)cc12	872401832	KRORYCDXRXBKAE-UHFFFAOYSA-N	300.318	1.153	50	20	DDGD	
C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)NNC(=O)c1cn[nH]c1	1118863937	HDAUMWSTHGUXRK-CMPLNLGQSA-N	307.398	1.911	50	20	DDGD	
COC/C=C/C(=O)NNC(=S)Nc1ccc(OC(C)C)cc1	874948421	LNYLLFMSGRXMPO-SNAWJCMRSA-N	323.418	1.994	50	20	DDGD	
CCCCCCN(C)CC(=O)NNC(=O)c1ccc(OC)cc1	1116038928	GIESATRDEZNRAQ-UHFFFAOYSA-N	321.421	1.968	50	20	DDGD	
C[C@@H](NCC(=O)NNC(=O)C(C)(C)C)c1cccc(F)c1F	775554396	YUVCJJMOYCKQBS-SECBINFHSA-N	313.348	1.809	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)c2ccccc2Cl)n1	1117784758	XDBXBSSWEYSKIB-UHFFFAOYSA-N	307.741	1.335	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNC(=O)c1cccc(C#N)c1	776208949	OZUHOEUSFDNIPQ-UHFFFAOYSA-N	317.345	1.299	50	20	DDGD	
CS(=O)(=O)c1ccccc1NC(=O)NNc1ncccn1	775470262	YECZSDQKXHBGII-UHFFFAOYSA-N	307.335	1.029	50	20	DDGD	
Nc1cnnc(NNC(=O)NC[C@H]2C[C@H]3C=C[C@H]2CC3)c1Cl	1117990226	SDLCFZLZXPIJJQ-LPEHRKFASA-N	322.800	1.941	50	20	DDGD	
Cc1occc1CNC(=O)NNc1cccc(S(C)(=O)=O)c1	776618010	UJZNSPZUEMMUMY-UHFFFAOYSA-N	323.374	1.818	50	20	DDGD	
CC[C@H](C)[C@@H](NC(=O)NNC(=O)c1cccnn1)C(F)(F)F	879383521	NPAVLQFZRDXPBX-IONNQARKSA-N	319.287	1.398	50	20	DDGD	
NC(=O)C1(C(=O)NNc2ccc(Br)c(F)c2)CC1	771673983	KJVCSIKCRBRPQU-UHFFFAOYSA-N	316.130	1.297	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccccc1COC(C)(C)C	774289694	NAPDXHRLXKGBAZ-UHFFFAOYSA-N	307.394	1.324	50	20	DDGD	
Cc1nn(-c2ccc(F)cc2F)c(C)c1C=NNC(=O)CO	776783586	QKGIDDTXKRQQGT-UHFFFAOYSA-N	308.288	1.210	50	20	DDGD	
CCc1ccc(C(=O)NNc2nc(O)c3cnn(C)c3n2)cc1	770972564	JGMWENGAMQNOMT-UHFFFAOYSA-N	312.333	1.388	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2cccnn2)[C@@H]1c1ccccc1	883851705	XZBKDHRWSZIZRA-FZMZJTMJSA-N	311.345	1.524	50	20	DDGD	
Cc1ccc([C@@H]2C[C@H]2NC(=O)NNC(=O)c2cccnn2)cc1	883705235	GDXGWLUBCQYLAX-GXTWGEPZSA-N	311.345	1.285	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1c(C)nn(C(C)C)c1C	887149347	SOMAYYIWVMYGDK-UHFFFAOYSA-N	304.394	1.574	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)[C@@H](C)NS(C)(=O)=O	885125116	KTAPQDLSKFYRAM-MRVPVSSYSA-N	305.787	1.029	50	20	DDGD	
Cc1cccc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)c1O	771974364	IUSVKNDZDKJKCQ-LLVKDONJSA-N	322.361	1.439	50	20	DDGD	
Cc1c[nH]cc(C(=O)NNC(=O)c2cccc3ncccc23)c1=O	781425992	JSSNMJARVMYDII-UHFFFAOYSA-N	322.324	1.306	50	20	DDGD	
O=C(Cc1n[nH]c2ccccc12)NNc1ncncc1Cl	781830798	ZICRSAXDULXBIT-UHFFFAOYSA-N	302.725	1.692	50	20	DDGD	
Cc1cc(C=NNC(=O)CN2CCCC2=O)cc2cccnc12	783807049	KHLUXRUDKHKUNR-UHFFFAOYSA-N	310.357	1.616	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NNc1ncc(F)cn1	780973151	CKZXJAIQTZWKFU-SECBINFHSA-N	311.317	1.068	50	20	DDGD	
Cc1cccc(CC(=O)NNC(=O)C2CCOCC2)c1Cl	883069229	ZUESSFAITGYOPZ-UHFFFAOYSA-N	310.781	1.765	50	20	DDGD	
CC1(C)[C@H](C(F)(F)F)CCN1CC(=O)NNC(=O)C1CC1	787322893	UPUAUGAGUBUEHY-SECBINFHSA-N	307.316	1.207	50	20	DDGD	
Cn1cc(-c2ccc(NC(=O)NNc3ccccn3)nn2)cn1	788785635	JAWNRJQFTXJVMT-UHFFFAOYSA-N	310.321	1.421	50	20	DDGD	
CNC(=O)NNC(=O)c1cnc(OCC(C)C)c(Cl)c1	783041769	HWZVLHGGQHCEFP-UHFFFAOYSA-N	300.746	1.344	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](CC(=O)NNc2ccnc(N(C)C)n2)CCO1	782118793	WFNQLDJPMLWZBK-STQMWFEESA-N	321.425	1.827	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](C)c2cnn(C)c2)c1	780795931	VAGQBOGEYKRHLU-SNVBAGLBSA-N	302.334	1.454	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNc2ccnc(N(C)C)n2)s1	896507964	ICCWWYWZTWAIPL-UHFFFAOYSA-N	306.395	1.302	50	20	DDGD	
Cn1ccnc(NNC(=O)C2(Cc3ccccc3F)CC2)c1=O	785410567	ALTKYYZDMQQFQV-UHFFFAOYSA-N	316.336	1.385	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2c(C)nc(N)nc2C)c1	781042146	JCHDHLONEVLDFY-UHFFFAOYSA-N	315.333	1.219	50	20	DDGD	
C#CCOc1ccccc1OS(=O)(=O)CBr	782435683	USMZAKFUJMBIIE-UHFFFAOYSA-N	305.149	1.760	50	20	DDGD	
COC(=O)[C@H](C)Oc1ccccc1/C=C(\C#N)C(=O)NC1CC1	899337260	CYLTZPUXLFSWQH-GJSJWPQCSA-N	314.341	1.812	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Cn1cccc(C(F)(F)F)c1=O	897231632	JUNRNPAPQAJCJF-UHFFFAOYSA-N	319.283	1.061	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cccc(CN(C)C)c2)n1	794076314	HEDNKNWNXUUYDD-UHFFFAOYSA-N	312.373	1.526	50	20	DDGD	
Cc1cc(/C=C(\C#N)S(N)(=O)=O)ccc1Br	799892709	AHWBLPWKWWOUOF-WEVVVXLNSA-N	301.165	1.911	50	20	DDGD	
C=C(CBr)CN1CCN(C(=O)[C@@H]2CCCO2)CC1	791447982	YIHUDTROXKUSNY-LBPRGKRZSA-N	317.227	1.261	50	20	DDGD	
CO[C@@]1(C(=O)NNC(=O)COc2ccc(C)cc2)CCSC1	895478194	XFTMOOKYMRVHMN-HNNXBMFYSA-N	324.402	1.043	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CCOc1cccc(C=O)c1	899995359	NYKKJTRMZNFUTC-UHFFFAOYSA-N	323.418	1.562	50	20	DDGD	
CSSCCNC(=O)NCC(C)(C)N1CCOCC1	790654380	CPMJWRSGRPMFHP-UHFFFAOYSA-N	307.485	1.408	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1ccc(Br)cn1	794514381	IWHCPGRGMVXFBO-UHFFFAOYSA-N	322.166	1.732	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)C(C)C)c(N(C)C)c1	792414114	CQZRKDZGLDDBGQ-UHFFFAOYSA-N	322.365	1.348	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNc1ccccc1S(C)(=O)=O	793680670	GCTKFOJQKBALHH-ZWNOBZJWSA-N	314.407	1.594	50	20	DDGD	
CCn1ncc2cc(C(=O)NNC(=O)CC(C)C)c(C)nc21	799409583	HKUKAXRJFFMFOP-UHFFFAOYSA-N	303.366	1.567	50	20	DDGD	
COCC(=O)NN=Cc1c(F)ccc(Br)c1F	799881193	MKHZSTVGEVWJLW-UHFFFAOYSA-N	307.094	1.824	50	20	DDGD	
CCCNC(=O)NN=Cc1cn(CC(=O)O)c2ccccc12	799876880	DIECCOFUCLKGLF-UHFFFAOYSA-N	302.334	1.769	50	20	DDGD	
O=C(COc1ccccc1F)NN=C1CC(=O)N2CCCC[C@H]12	799468564	JRRKQSAJSUWLKM-CYBMUJFWSA-N	319.336	1.462	50	20	DDGD	
O=C(c1sccc1Br)N1CC[C@@H](B(O)O)C1	585070168	WVCHXJKSNVSWFA-ZCFIWIBFSA-N	303.974	1.200	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)nc1)Nc1cncc(F)c1	799233451	COHTUGLKVHQSJW-UHFFFAOYSA-N	309.688	1.736	50	20	DDGD	
COC(=O)C[C@H]1CCC(=NNC(=O)Cc2cc(C)[nH]n2)[C@@H]1C	794490434	SHNHMSJAWMVWNN-GHMZBOCLSA-N	306.366	1.342	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=c1c(=O)c2cccc3cccc1c32	1317717040	MSXRUWHERWGLDK-UHFFFAOYSA-O	316.340	1.148	50	20	DDGD	
CC(C)c1ccc(C2(C(=O)NNC(=O)CN(C)C)CCC2)cc1	1318787953	SWXZMBOMVJDOAG-UHFFFAOYSA-N	317.433	1.941	50	20	DDGD	
CC(=O)N1Cc2ccc(NC(=O)NNC(=O)C(C)C)cc2C1	1320002781	ULZONYUUOYSGAQ-UHFFFAOYSA-N	304.350	1.357	50	20	DDGD	
CCC(=NNC(=O)CCN1CCC(C)CC1)c1nccn1C	1324434497	ZROIELZBIHHAHM-UHFFFAOYSA-N	305.426	1.772	50	20	DDGD	
CCC(C)(C)N[C@H](C)C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1325725479	OYVTYYJVXOTLPT-SNVBAGLBSA-N	321.425	1.216	50	20	DDGD	
O=C(COCc1ccncc1)NNC(=O)c1ccccc1Cl	1323467275	ZXAJPKAQSMMELE-UHFFFAOYSA-N	319.748	1.713	50	20	DDGD	
COCc1nocc1C(=O)NNc1cccc(C(=O)OC)c1	1327667893	DPQJFSXKKFJZSM-UHFFFAOYSA-N	305.290	1.365	50	20	DDGD	
Cc1nc([C@H](C)NC(=O)NNC(=O)Cc2ccccc2F)no1	1324579193	XZLKVYXGEPGMIV-QMMMGPOBSA-N	321.312	1.151	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H](C)C(=O)OC(C)(C)C)cc1	1327358308	BBONEVYMWMFXIX-SNVBAGLBSA-N	322.361	1.434	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Nc2cc(C)nn2C)cc1	1320124709	LGWFUPPWZNUSDC-UHFFFAOYSA-N	303.322	1.204	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)nc1	1338549062	OBQOKDUZOQNHHE-VIFPVBQESA-N	303.366	1.752	50	20	DDGD	
Cc1ncccc1CC(=O)NNc1cc(C#N)cc(Cl)n1	1257450422	YDMABIUOENBIPF-UHFFFAOYSA-N	301.737	1.996	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCC[C@@H]2OC)c(OC)c1	1335791031	XHXDZJWXCXJAMK-YPMHNXCESA-N	322.361	1.280	50	20	DDGD	
CC(C)CN1CCC[C@H]1C(=O)NNC(=O)c1cccc(Cl)n1	1336023031	BFNVVWQJZPCHHC-LBPRGKRZSA-N	324.812	1.616	50	20	DDGD	
CCC[C@@H](O)CC(=O)NNC(=O)c1cncn1-c1ccccc1	1253462408	FNJBTYFHUWETEK-CYBMUJFWSA-N	316.361	1.184	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cnn(C)c(=O)c1	1337692895	YUOYLELPSBDVTJ-UHFFFAOYSA-N	309.757	1.085	50	20	DDGD	
CC1(C)CCN1C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1334704513	VHHQRXKELHRLDM-UFBFGSQYSA-N	303.200	1.287	50	20	DDGD	
CCNS(=O)(=O)[C@H]1CCN(C(=O)C2CCC(Cl)CC2)C1	1347115487	IJPFRFHNTNGQDJ-MCIGGMRASA-N	322.858	1.324	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)CSCC(=O)O	1603099546	QTOUYEYFYLSQCS-UHFFFAOYSA-N	318.786	1.514	50	20	DDGD	
C[C@@H](Cn1cccn1)NC(=O)NNc1ccc(CC(=O)O)cc1	1604247993	VWDPXMOVKNQOPD-NSHDSACASA-N	317.349	1.225	50	20	DDGD	
C[C@H](CC(=O)O)CC(=O)NNc1ccccc1S(C)(=O)=O	1604105947	HJWAJSFKEUORAS-VIFPVBQESA-N	314.363	1.034	50	20	DDGD	
C#CCCCC(=O)NN=C(C)c1ccc(-c2nn[nH]n2)c(F)c1	1602704153	QSXKLGWWMNEALO-UHFFFAOYSA-N	314.324	1.650	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNc1ccc(F)c(C(=O)O)c1	1604620113	JVYRREIQBIUFBZ-DTWKUNHWSA-N	308.309	1.972	50	20	DDGD	
O=C(O)CSCCC(=O)NNc1ccc(C(F)(F)F)cn1	1602098570	HRAKGRQSHHJZCG-UHFFFAOYSA-N	323.296	1.751	50	20	DDGD	
O=C(O)c1coc(C(=O)NNC(=O)c2ccc(Cl)cc2)c1	1608986723	SVGKMIGXLGYXNJ-UHFFFAOYSA-N	308.677	1.706	50	20	DDGD	
Cn1nc(C2CC2)nc1CC(=O)NNc1cccc(C(=O)O)c1	1601008546	XOSAPZIGDSVXMN-UHFFFAOYSA-N	315.333	1.077	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNC(=O)Cc2cccnc2)c1	1600108313	CHXTXYOTDGFJFU-UHFFFAOYSA-N	313.313	1.092	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC[C@](O)(C2(C(=O)O)CCC2)C1	1605615546	HDTKKJZIDRUNMO-UILAEWCASA-N	322.361	1.039	50	20	DDGD	
Cc1cc(COCC(=O)NNc2ccc(F)c(C(=O)O)c2)no1	1600215519	WYKJAFYPEXQZSR-UHFFFAOYSA-N	323.280	1.480	50	20	DDGD	
O=C(O)C[C@H]1CN(C[C@H](CBr)C2CC2)CCO1	1601961395	KTYUTTDUNGXBPW-QWRGUYRKSA-N	306.200	1.583	50	20	DDGD	
O=C(NCCCNC1CC1)NNc1cccc(C(=O)O)c1F	1610692809	YFHHSUWQSWHPFR-UHFFFAOYSA-N	310.329	1.292	50	20	DDGD	
COc1ccc(Cl)c(NNC(=O)[C@@H]2CN3CCN2C[C@@H]3C)c1	1548673051	YTALYWWNHJYFQU-HZMBPMFUSA-N	324.812	1.180	50	20	DDGD	
COc1cc(F)cc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)c1	1549314205	JSTSZNHERLQBRM-UKRRQHHQSA-N	321.352	1.148	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)CCCCCN)N1CCCCC1	1575414754	SQWXHINPULPFED-OAHLLOKOSA-N	312.458	1.163	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2C[C@@H](N)C2(C)C)c1C	1579768422	WXIPOGRUIJGMLT-DGCLKSJQSA-N	320.462	1.994	50	20	DDGD	
C=CC1(CC(=O)NNC(=O)Cc2ccc(Cl)cc2)CNC1	1574879364	ALTKRSIRDNIAFA-UHFFFAOYSA-N	307.781	1.196	50	20	DDGD	
C[C@@H]1OC(C)(C)N[C@@H]1C(=O)NC[C@]1(C)C[C@H]1Br	1576895405	BRFACCOYJAPTIS-NHRVJRKFSA-N	305.216	1.389	50	20	DDGD	
C[C@H](CC#N)C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1589787729	QJYWHSZAFQSRRZ-SSDOTTSWSA-N	305.729	1.513	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H](C)OC)C1	1846404763	RVUVJVHIQMGZPL-QWRGUYRKSA-N	302.802	1.242	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843363608	PKOUTOIQFJWXIN-BQBZGAKWSA-N	301.120	1.259	50	20	DDGD	
CCCCS(=O)(=O)/C(C#N)=C/c1nc(-c2nn[nH]n2)cs1	1590610841	ARCVBUABBARNBY-VMPITWQZSA-N	324.391	1.403	50	20	DDGD	
C[C@@H]1CNC[C@H]1CCNC(=O)NNc1ccc(C(=O)O)c(F)c1	1599872779	HAZXMGOZQGFDHJ-NXEZZACHSA-N	324.356	1.396	50	20	DDGD	
COc1ccc(CC(=O)NNc2ccccc2C(=O)O)nc1	1599548686	MQNRFCXTBMAGSI-UHFFFAOYSA-N	301.302	1.474	50	20	DDGD	
CC1(C)C[C@@](C)(NC(=O)NNc2cccc(C(=O)O)c2)C(=O)O1	1593849560	USRNPBGYVNEDKQ-OAHLLOKOSA-N	321.333	1.495	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc(C(=O)O)c1)[C@@H]1CCCNC1	1593101324	CHHRURZLYQNVAS-ZYHUDNBSSA-N	306.366	1.399	50	20	DDGD	
CCc1nc(CNC(=O)NNc2cccc(C(=O)O)c2)co1	1597669925	MLCNPFIANCLSEL-UHFFFAOYSA-N	304.306	1.762	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)/C=C\c1cnn(C)c1	1599377121	KWAMCWXEOCTBTH-UTCJRWHESA-N	316.317	1.283	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)O)CC=CC1)c1cc2ccccc2o1	1594779220	MNGKHGYAXXJNHN-UHFFFAOYSA-N	314.297	1.615	50	20	DDGD	
CCC(CC)[C@@H](NC(=O)NNC(=O)C(=O)O)c1ccccc1	1595110536	ZHKPJARNPTWUQX-GFCCVEGCSA-N	307.350	1.579	50	20	DDGD	
O=C(NN[C@@H]1CCS(=O)(=O)C1)Nc1ccc(Cl)cc1	16310827	SSEQPDRGXNLADI-SNVBAGLBSA-N	303.771	1.153	50	20	DDGD	
CC(C)(CC(=O)O)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	16482103	AITQNPMMNLHISY-UHFFFAOYSA-N	323.305	1.247	50	20	DDGD	
Nc1ccc(C(=O)NNC(=O)c2ccccc2)cc1[N+](=O)[O-]	17170738	VDQBHZKTKHJFAY-UHFFFAOYSA-N	300.274	1.252	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@@H]1CCn2ccnc2C1	161095262	HOMFMTUNZQJRAN-CQSZACIVSA-N	312.373	1.226	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc(-c2csc(C)n2)cc1	161165772	RLYNJOAGXGESGC-UHFFFAOYSA-N	318.358	1.224	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=O)Cc1cc[nH]n1	163249811	BVEUPOIIIMYEFH-UHFFFAOYSA-N	318.293	1.022	50	20	DDGD	
COc1ccc(NNC(=O)Cc2c(C)noc2C)c([N+](=O)[O-])c1	155196010	YKJSJZYXCITLPX-UHFFFAOYSA-N	320.305	1.894	50	20	DDGD	
O=C(CNC(=O)NCc1ccco1)NNc1c(F)cccc1F	156582810	SOCDHNQACVBQCM-UHFFFAOYSA-N	324.287	1.500	50	20	DDGD	
CCCn1ncc(C(=O)NNc2ncc(F)cn2)c1C1CC1	159467251	ZVNVACOOGYKHJL-UHFFFAOYSA-N	304.329	1.857	50	20	DDGD	
Cc1ccc([C@H]2COCCN2S(=O)(=O)CCCCl)o1	881906689	XJQACOJIXCDIFV-LLVKDONJSA-N	307.799	1.920	50	20	DDGD	
Cc1nc([C@@H](C)NS(=O)(=O)c2ccc(CCl)cc2)n[nH]1	392310054	DXRCKLPBROKXJY-MRVPVSSYSA-N	314.798	1.891	50	20	DDGD	
CN(CCNS(=O)(=O)CCCCl)C(=O)OC(C)(C)C	881855694	UROUMIOZMPNOAO-UHFFFAOYSA-N	314.835	1.402	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)c1ccccc1	6270553	MOQNNGTXIXAOON-UHFFFAOYSA-N	315.285	1.435	50	20	DDGD	
CC(=O)NNC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1	57292262	ZJQJFZKZMHOUSG-UHFFFAOYSA-N	313.144	1.960	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cc(-c2ccco2)[nH]n1	103456784	KLJWAPMXFCTQIJ-UHFFFAOYSA-N	311.301	1.068	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CC[C@H]1CCOC1	176489516	JSYCZAIAZPMAGA-NEPJUHHUSA-N	324.352	1.557	50	20	DDGD	
CCCNC(=O)CCC(=O)NNc1ccc(F)c(F)c1F	111597514	PGBMJPZDZBOWOV-UHFFFAOYSA-N	303.284	1.853	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)c1c[nH]c2ccccc12)N(C)C	106902367	SDUGEQJYBRMHHE-AWEZNQCLSA-N	302.378	1.515	50	20	DDGD	
Cc1ccc(-n2nnc(C(=O)NNc3cc(C)ncn3)c2C)cc1	172282060	XSZGWJMRDQNDPV-UHFFFAOYSA-N	323.360	1.739	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1C[C@@]12CCCc1ccccc12	173363541	NMWDDRTXUPBEAI-RHSMWYFYSA-N	315.442	1.962	50	20	DDGD	
C[C@H]1CCC[C@H](C(=O)NNC(=O)Cc2cn3ccccc3n2)C1	173880170	MDARULOCTZFXPH-STQMWFEESA-N	314.389	1.851	50	20	DDGD	
CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)NNc1cccnn1	172500143	JGKDNQYCRKSAOV-WCQYABFASA-N	307.398	1.944	50	20	DDGD	
O=C(CN1CCC2(CCCC2)C1)NNC(=O)c1ccccc1	173820102	FXUAWPXBNWHQEB-UHFFFAOYSA-N	301.390	1.714	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNC(=O)c2c[nH]c3ccccc23)cc1	22598724	MCTMPCRCFAPRQP-UHFFFAOYSA-N	322.324	1.342	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2)CN1C1CC1	119100855	FYMHRQIDQGZEJL-YPMHNXCESA-N	302.378	1.256	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)C(=O)N(C)C)cc1	171981425	ILOBKMQBYSVYNM-LQELWAHVSA-N	315.373	1.585	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CC1(O)CCCC1	118757470	VLQUXDZAGABXIU-NSHDSACASA-N	324.352	1.436	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	67987647	XJUFDOHOZARUOD-VIFPVBQESA-N	306.297	1.086	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc2cc(C)ccc2o1	65204680	LKYXLOQBTQICSK-UHFFFAOYSA-N	305.334	1.722	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)C=C2CCCCC2)cc1	65723462	XDKQQCWFQKOLDM-UHFFFAOYSA-N	313.357	1.975	50	20	DDGD	
CC(C)Oc1ccc(NC(=O)C(=O)NNc2ccccn2)cc1	181402014	YPNZOXCJVXXDCU-UHFFFAOYSA-N	314.345	1.951	50	20	DDGD	
O=S(=O)(NCC1(CO)CC1)c1ccc(CCCCl)cc1	305217355	SUHCJDZYWOORQM-UHFFFAOYSA-N	317.838	1.909	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cccnc1C(F)(F)F	188401738	AHNSTXNGJVARME-UHFFFAOYSA-N	324.262	1.499	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H](C)c2ncc(C)s2)n1	78351615	DTGIOTIECJTFKT-VIFPVBQESA-N	322.394	1.946	50	20	DDGD	
CCC[C@H]1C[C@H](C(=O)NNc2nc(C)cc(OC)n2)CCO1	184108735	POIIOCBVFFGUNY-NEPJUHHUSA-N	308.382	1.832	50	20	DDGD	
C[C@@H](Cc1ccc(Cl)cc1)N(C)CC(=O)NNC(=O)C1CC1	121028276	PEUVTONYEFSOGG-NSHDSACASA-N	323.824	1.760	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNc1ccc(C(F)(F)F)nn1	188960679	VNIQEFWKFKLIOX-UHFFFAOYSA-N	306.244	1.280	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cc(Cl)ccc2O)[nH]1	127879742	DDKFTDCXSBSJOX-UHFFFAOYSA-N	304.693	1.320	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)ccc1=O	125021830	SQEAMRZHTSKXIZ-UHFFFAOYSA-N	322.708	1.704	50	20	DDGD	
CC#CCCCC(=O)NNC(=O)CCc1ccc(OC)cc1	185477916	UZOUQJYKUIEYFE-UHFFFAOYSA-N	302.374	1.969	50	20	DDGD	
C[C@H](Oc1cccc(Br)c1)C(=O)NN(C)C(N)=O	181060624	LGVBAFUHCNVJIS-ZETCQYMHSA-N	316.155	1.258	50	20	DDGD	
C#CCC(C)(C)C(=O)NNc1ncc(C(=O)OCC)c(C)n1	185039731	TZDKTGXSRNEZMA-UHFFFAOYSA-N	304.350	1.454	50	20	DDGD	
O=C(NNC(=O)C1(O)CCC1)c1cccc(Br)c1	187360618	YJFDPTHNXGZKLL-UHFFFAOYSA-N	313.151	1.125	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cnn(CC(F)F)c2)o1	186041692	JNGGZJMRDCXCOJ-UHFFFAOYSA-N	313.264	1.516	50	20	DDGD	
O=C(NC[C@@H]1CCN(c2ccccc2)C1)NNc1ncccn1	46957953	YAXAHXRUHVYZSI-ZDUSSCGKSA-N	312.377	1.629	50	20	DDGD	
C=CCCCC(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1	180291660	CTTJJODWQHUKCM-UHFFFAOYSA-N	323.780	1.460	50	20	DDGD	
CCC[C@H](NC(=O)NNC(=O)C(=O)NC1CC1)c1ccccc1	43712908	HSGXBPGQWUIDLP-ZDUSSCGKSA-N	318.377	1.137	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1ccc(C)o1	49984068	XYNXUQXSSABJMU-UHFFFAOYSA-N	304.302	1.437	50	20	DDGD	
Cc1nc(-c2ncccn2)sc1C(=O)NNC(=O)C(C)(C)C	80353179	CIMFCLGUSZCGRA-UHFFFAOYSA-N	319.390	1.716	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N(C)C)c(C)n1-c1nccs1	194919705	RJLSPDCWJILKCY-UHFFFAOYSA-N	307.379	1.467	50	20	DDGD	
Cc1oc2nc[nH]c(=O)c2c1C(=O)NNc1ccc(F)cc1	193001441	GACNOBHHVVBADM-UHFFFAOYSA-N	302.265	1.721	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cccnc1OCC(F)F	89816587	UZAFLJHMUNWAER-UHFFFAOYSA-N	315.320	1.923	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H](c2ccccc2)N(C)C)n1	195297917	XNDOEVREKIDSGP-CYBMUJFWSA-N	301.350	1.231	50	20	DDGD	
C[C@H](CCNC(=O)NNC(=O)C(=O)NC1CC1)CC(C)(C)C	190991317	HBAMRTDVEWVZLZ-SNVBAGLBSA-N	312.414	1.058	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)C[C@@H]1CCCCO1	87005962	OCYKPJSPLUHEAN-LBPRGKRZSA-N	316.361	1.363	50	20	DDGD	
O=C(NNC(=O)C(F)(F)c1ccc(F)cc1)c1ccccn1	149691406	BGTZMWFVZFAOHD-UHFFFAOYSA-N	309.247	1.774	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cnn(-c2ccccc2F)c1	92928477	ZIQVYAZBHLLIRS-UHFFFAOYSA-N	307.285	1.794	50	20	DDGD	
CC(=O)Nc1cc(NC(=O)NNc2cnccn2)ccc1C	92425151	WHUAHNDSTOAVAZ-UHFFFAOYSA-N	300.322	1.892	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](C)Oc2cccnc2)n1	266897332	GQXFVHWQMWUVBU-JTQLQIEISA-N	303.322	1.099	50	20	DDGD	
Cc1nn(C)c(C)c1CNC(=O)NNC(=O)c1ccccc1F	266831384	UKMCTTWJYZESDA-UHFFFAOYSA-N	319.340	1.320	50	20	DDGD	
COc1cccc2c1OC[C@@H](NC(=O)NNc1ncccn1)C2	359938140	SPIOVBNPKFQBMK-NSHDSACASA-N	315.333	1.115	50	20	DDGD	
Cc1ccnc(NNC(=O)c2ccc(N3CCOCC3)cc2)c1	268016519	IXGJUHVLRXZZGQ-UHFFFAOYSA-N	312.373	1.984	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1cncc(Br)c1	273422528	JREDKHGBSBPHPD-UHFFFAOYSA-N	313.155	1.797	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNc1nccnc1OC	276737939	FLODGTHFBKYYTC-UHFFFAOYSA-N	303.322	1.344	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)Cc2ccc(F)cc2)CCO1	271297254	TVWKCHGOKQHGSG-GWCFXTLKSA-N	309.341	1.266	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H](C(=O)NNC(=O)Cc2ccncc2)C1(C)C	275753034	JMDLSLTYOQJWPJ-DGCLKSJQSA-N	317.389	1.413	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NNc1ccc(C#N)c(Cl)c1	273563767	WSYKTXXUVNHTCP-NSHDSACASA-N	322.796	1.623	50	20	DDGD	
CN1C(=O)C[C@H](C(=O)NNc2ccnc(F)c2)c2ccccc21	364696268	OVNLEUXZDBCOQZ-LBPRGKRZSA-N	314.320	1.814	50	20	DDGD	
O=C(NNc1cccc(C(F)(F)F)n1)[C@@H]1C[C@]12CCOC2	364087947	VBLHDVNVURKJJP-UFBFGSQYSA-N	301.268	1.970	50	20	DDGD	
O=S(=O)(CBr)N[C@@H](CO)c1ccc(F)cc1	272794921	JYUGBDDSTCMLPN-VIFPVBQESA-N	312.160	1.131	50	20	DDGD	
CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NNc1cnccn1	274784965	ZBJIWDBXTOMGCO-LLVKDONJSA-N	321.381	1.709	50	20	DDGD	
CC[C@H](C)Sc1ccc(NC(=O)C(=O)NNC(C)=O)c(C)c1	274066590	OGJWAAIDRJQQFV-JTQLQIEISA-N	323.418	1.991	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cn(C)nc2C(C)C)n1	279798607	LQBFQPNYMHAUCD-UHFFFAOYSA-N	301.350	1.322	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNc1ccc([N+](=O)[O-])cc1C	288615841	JABOKIXJMFIELV-UHFFFAOYSA-N	309.322	1.936	50	20	DDGD	
CC1(CCNC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1	280201478	FASJJMGZIZNUMY-CYBMUJFWSA-N	319.361	1.347	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1coc2ccccc12	288044418	RRIJQRROWHBUDQ-UHFFFAOYSA-N	320.345	1.983	50	20	DDGD	
CCOC1CC(C(=O)NNc2cccc(S(C)(=O)=O)c2)C1	288751467	WTACNZAUZRPBOZ-UHFFFAOYSA-N	312.391	1.348	50	20	DDGD	
CO[C@@H]1CCN(C(=O)NNC(=O)c2ccc(C#N)cc2)[C@H](C)C1	281965963	VLAUWLZLYDFUHB-BXUZGUMPSA-N	316.361	1.412	50	20	DDGD	
CC1(C)CC[C@H]1NC(=O)NNC(=O)COc1ccccc1O	287199051	FTDQODIZJLWKKS-GFCCVEGCSA-N	307.350	1.290	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)CSc2ccccc2O)CC1	282010712	RGTWHTJMXQZDHV-UHFFFAOYSA-N	324.402	1.448	50	20	DDGD	
CO[C@H](C(=O)NNc1nnc(-c2ccccn2)s1)C1CC1	281086987	BMCUATBXNGVJBX-JTQLQIEISA-N	305.363	1.468	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)[C@@H]1OC[C@@H]2COCC[C@H]21	291431485	YNRWMNWJNIXIGL-HHURGBBESA-N	316.279	1.599	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H](O)c2ccccc2)cc1	802056405	MYUKWISZYCPHEH-AWEZNQCLSA-N	315.329	1.582	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccccc1OCC1CC1	299562016	ADRRMIZNIXXGRJ-UHFFFAOYSA-N	321.377	1.456	50	20	DDGD	
O=C(CCOCC(F)(F)F)NNC(=O)Nc1ccccc1	801990784	YPNLTQMJGUJOFK-UHFFFAOYSA-N	305.256	1.808	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C2(C(C)=O)CC2)cc1OC	292606484	IIQMRJZSBFTAEN-UHFFFAOYSA-N	320.345	1.224	50	20	DDGD	
Cc1nc2cc(OS(=O)(=O)CBr)ccc2n1C	296952017	HEIPGCKKCQZYRL-UHFFFAOYSA-N	319.180	1.943	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@H]1C(=O)NNc1ccc(-n2ccnc2)nn1	804956971	JYRKZTCSDOQWGC-ZYHUDNBSSA-N	314.349	1.111	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CC[C@H]2CCCO2)cc1	802052476	QYCIENYTOSQQKH-CYBMUJFWSA-N	307.350	1.807	50	20	DDGD	
CSSCCNC(=O)c1cc(C)nc2c1c(O)nn2C	803475430	LYEJNVHGNXCXPV-UHFFFAOYSA-N	312.420	1.723	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ncccc2F)c(F)c1	804216362	SHQXNYYTFPXCKJ-UHFFFAOYSA-N	307.256	1.903	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21	291015996	XGYCGSVUZOFWAD-VHRBIJSZSA-N	321.333	1.398	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@@H]1CC(=O)N(C2CCCCC2)C1	804773261	SNSQXCVAGQYRHW-LLVKDONJSA-N	320.368	1.845	50	20	DDGD	
CCC(=O)NNC(=O)Nc1nnn(Cc2ccccc2F)c1C	801807977	OJKOYEWVYCQURA-UHFFFAOYSA-N	320.328	1.337	50	20	DDGD	
Cc1cccc(-n2cc(C(=O)NNc3cccc(F)n3)nn2)c1	804768032	KZMBTUZBMJKLKZ-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)[C@H]1CCCN(C(=O)C2CC2)C1	293737969	QYVLODWYYGZUFI-NSHDSACASA-N	322.796	1.827	50	20	DDGD	
CSSCCNC(=O)c1nnn(Cc2ccncc2)c1C	803245717	DSLCGSRWJNIOIN-UHFFFAOYSA-N	323.447	1.771	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1)C1CC1	294530236	ZHUPUFXVVICQIB-JTQLQIEISA-N	303.145	1.584	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1cnn(CCF)c1	806774687	BUUAQYKADFLDGN-UHFFFAOYSA-N	317.284	1.055	50	20	DDGD	
CCc1ncncc1C(=O)NNc1ccc2c(=O)[nH]ccc2c1	803437794	YKOIOGMUHIUCGS-UHFFFAOYSA-N	309.329	1.637	50	20	DDGD	
C[C@H](CCOc1ccccc1)C(=O)NNC(=O)[C@@H]1CCCCO1	295672324	XCWRFYMBCJSZSK-HIFRSBDPSA-N	320.389	1.808	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ncccc2F)cc1	804214302	UZOLLYIDQSXEMB-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
Cn1ccnc(NNC(=O)CCc2ncc(C(C)(C)C)o2)c1=O	801628898	OIMMKPUKEAXDNW-UHFFFAOYSA-N	319.365	1.142	50	20	DDGD	
CC[C@](O)(C(=O)NN(C)CCOC)c1cccc(Cl)c1	816562427	LAQZWOQYSWJTFC-CQSZACIVSA-N	300.786	1.547	50	20	DDGD	
Cn1ccc(CCC(=O)NNc2ccc(C(F)(F)F)nn2)n1	815871697	SKJGQOVRDVJTEL-UHFFFAOYSA-N	314.271	1.305	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccc2c(c1)CCCC2=O	817077729	PBRDOIFRLXKBJV-UHFFFAOYSA-N	300.293	1.892	50	20	DDGD	
N#Cc1cccc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)n1	811507693	LQAUQJQGHMHWNU-UHFFFAOYSA-N	305.297	1.552	50	20	DDGD	
CN1CCC(ONC(=O)[C@H](Br)C(C)(C)C)CC1	819687792	ALMASRQRBNFVPK-JTQLQIEISA-N	307.232	1.938	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H](C)c1ncc(C(=O)OC)s1	818996527	HJCZEUUUOHDUNR-CYXIBPNKSA-N	309.347	1.551	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=O)c2ccccc2O)C1	816830919	ZBWDMMIWEUFRAS-BXKDBHETSA-N	314.345	1.242	50	20	DDGD	
CC(=NNC(=O)c1ccncc1)c1cn(-c2ccccc2)nn1	814682281	JSVLEBVWAXFERD-UHFFFAOYSA-N	306.329	1.816	50	20	DDGD	
CC(=NNC(=O)CO)c1nnn(-c2cccc(Cl)c2)c1C	814896262	QHGLIKVSONYLMG-UHFFFAOYSA-N	307.741	1.062	50	20	DDGD	
O=C(Cc1cncc(O)c1)NNC(=O)c1ccc(Cl)cc1	816818781	LAWVRAZAYZNOAZ-UHFFFAOYSA-N	305.721	1.444	50	20	DDGD	
O=C(NN=Cc1cc(Cl)cc([N+](=O)[O-])c1O)c1cnccn1	818284371	CRNNLNRQJRKORX-UHFFFAOYSA-N	321.680	1.508	50	20	DDGD	
CC(=O)N1c2ccccc2C[C@H]1C(=O)NNC(=O)CC(C)C	726526266	SRNCLRVNQIMOSW-AWEZNQCLSA-N	303.362	1.158	50	20	DDGD	
COCCC(COC)=NNC(=O)c1cc(-c2cccs2)[nH]n1	812227750	PLJXVZQZEPBNFL-UHFFFAOYSA-N	322.390	1.907	50	20	DDGD	
CN(NC(=O)c1ccc(CN2CCCCC2=O)cc1)C1CC1	819647104	ITIIZASQRBOZEI-UHFFFAOYSA-N	301.390	1.938	50	20	DDGD	
C[C@@H](CBr)CN1CCC[C@@H](n2cc(CO)nn2)C1	815142788	ZBCYMKRZEWZTST-CMPLNLGQSA-N	317.231	1.438	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)NCCCOC)c1	726482269	HTZFUTHHZYPRQN-UHFFFAOYSA-N	306.391	1.205	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@@H]1CC[C@H](C#N)C1	823885373	DBYVJBRPCVFMDB-WCQYABFASA-N	316.361	1.260	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)N[C@H]1CCCSC1	823281887	ZOIAFBBYIOBTLT-NSHDSACASA-N	319.394	1.388	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1cc2cc(F)ccc2o1	829720220	PXIOEGKCPCXFPY-UHFFFAOYSA-N	314.338	1.928	50	20	DDGD	
CCCN(NC(=O)CCCS(C)(=O)=O)C(=O)OC(C)(C)C	497224219	BPSVYEFQZXZKEU-UHFFFAOYSA-N	322.427	1.490	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCC(C)(C)c1ccncc1	826822605	ATUQRZWLKJYPGS-DGCLKSJQSA-N	320.393	1.115	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cccc2c1OCO2	826447306	ZDSSFPPGOYLTNQ-UHFFFAOYSA-N	324.300	1.352	50	20	DDGD	
O=C(/C=C/[C@@H]1CCOC1)NNC(=O)Cn1ccc2ccccc21	493062287	PAELAAVZYDKDKN-URWSZGRFSA-N	313.357	1.381	50	20	DDGD	
CC1CC(C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)C1	820648493	ANENPWCPGVZBNC-UHFFFAOYSA-N	305.342	1.467	50	20	DDGD	
CCn1ccnc1[C@@H]1CCCCN1CC(=O)NNC(=O)C(C)C	829397326	GOOKASJCWFASSF-ZDUSSCGKSA-N	321.425	1.233	50	20	DDGD	
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1cc(C)ncn1	493733020	KJKBFESLYSUGRA-JTQLQIEISA-N	309.370	1.531	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1CCN(CCCOCC)C[C@@H]1C	491159686	JFGSGUHQNLTJIO-WPDDIUJQSA-N	323.437	1.684	50	20	DDGD	
Cc1nn(C)cc1/C=C(\C#N)C(=O)Nc1ccccc1C(=O)O	490784115	WZCIIZGYURHZCY-YRNVUSSQSA-N	310.313	1.972	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNC(=O)c1cccc(Cl)c1	491178748	MKUBKUNVALLHIH-UHFFFAOYSA-N	313.741	1.236	50	20	DDGD	
C=CCOc1ccc(/C=C/C(=O)NN(CC)CCO)cc1OC	823834254	YRVSAUCYTIIFOO-VQHVLOKHSA-N	320.389	1.619	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNC(=O)COc1ccccc1CC	820629416	CHOPIXDNDLBSNH-AWEZNQCLSA-N	317.389	1.760	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)[C@H]1CC12CCSCC2	823974866	RFMNQDHXLQARON-CYBMUJFWSA-N	319.430	1.779	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	826155624	WIPRIUCGSNPMJY-SNVBAGLBSA-N	304.354	1.373	50	20	DDGD	
CC[C@H]1[C@H](C(=O)NN(C)C(N)=O)CCN1C(=O)OC(C)(C)C	497250167	BPYJSVQFZPGVMZ-ZJUUUORDSA-N	314.386	1.064	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C\c1ccc(O[C@@H](C)C(=O)O)cc1	490945110	ZXKXAJQXTOQSSW-KWJWQAOWSA-N	300.314	1.748	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H]2CCCN2Cc2ccccc2)cc1	585027543	BEWYTTRZJVRCIF-IBGZPJMESA-N	324.233	1.121	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1CCN(C2CCCCCC2)C1	585022288	LRMMJMQQFIFCHZ-MRXNPFEDSA-N	316.254	1.253	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNc1ccc(F)c(C(=O)OC)c1	821881451	ZXRQBFOULNUNLE-NXEZZACHSA-N	324.308	1.255	50	20	DDGD	
COC(=O)COc1ccccc1C=NNC(=O)[C@@H]1CCO[C@H]1C	901259358	REXZHBGQDCVKPL-WCQYABFASA-N	320.345	1.114	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1cc(C(=O)O)cn1C	901154599	DUNNFASNIJTRMV-GFCCVEGCSA-N	320.393	1.295	50	20	DDGD	
CC(C)(O)CN1CCN(C(=O)[C@@]2(C)C[C@H]2Br)CC1	906602852	TXBIBSNQCMXHTR-MFKMUULPSA-N	319.243	1.075	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)/C=C\[C@H]1CCOC1)c1ccccc1	493614340	LUTOLPSIWYVBJV-KJOMZIQVSA-N	302.374	1.920	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CCO[C@H](C)C2)cc(C#N)n1C	490813335	OWEGVYMBCREXNQ-LBXLQRCESA-N	312.373	1.796	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccnc1)N(C)C(=O)OC(C)(C)C	496756034	SBCHZWBOTYDFLL-JTQLQIEISA-N	322.365	1.098	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1	823988057	OYKWNYDPNDTLNV-WFASDCNBSA-N	308.378	1.202	50	20	DDGD	
C[C@@H](OCCCNCc1cccc(B(O)O)c1)c1ccccc1	585014805	FCMJYHYUOZPPQE-OAHLLOKOSA-N	313.206	1.624	50	20	DDGD	
OB(O)c1ccccc1CNC[C@H]1CCC2(CCCCC2)O1	585038264	YGZWEXLVLBETJK-OAHLLOKOSA-N	303.211	1.338	50	20	DDGD	
COC(=O)N(C)NC(=O)Cc1ccccc1O[C@H]1CCOC1	495920606	NNQREHXILGRYLL-LBPRGKRZSA-N	308.334	1.126	50	20	DDGD	
CCN(CCO)NC(=O)CCc1ccc(OC(F)(F)F)cc1	823856504	TWRPSLKYTCMQEG-UHFFFAOYSA-N	320.311	1.863	50	20	DDGD	
OB(O)c1ccc(CNC[C@H]2CCCCC2(F)F)c(F)c1	585043629	PQQQBUXPDFEWRY-LLVKDONJSA-N	301.117	1.421	50	20	DDGD	
CN(NS(=O)(=O)c1ccc(C#N)nc1)C(=O)OC(C)(C)C	497158289	GALYFEXVDNJXLF-UHFFFAOYSA-N	312.351	1.013	50	20	DDGD	
CC1(C)C[C@H](O)c2cc(NCc3cccc(B(O)O)c3)ccc21	585036486	LAQGPSLVQNUUPB-KRWDZBQOSA-N	311.190	1.693	50	20	DDGD	
CC1=C(C)C(=O)N(CCC(=O)NNc2cc(C)ccc2F)C1=O	901169005	ZHDLVIPSRZJDAV-UHFFFAOYSA-N	319.336	1.673	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H](C)C1CCN(C(=O)OC)CC1	492050184	YYTLLNSBLVWBOA-CDDSVFCYSA-N	309.366	1.413	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)CNc1ccc(C)cc1	834921496	WDBMHEFCNKDNQE-UHFFFAOYSA-N	300.366	1.477	50	20	DDGD	
C[C@@H]1CO[C@@H](CO)CN1C(=O)/C(C#N)=C/c1ccc(F)cc1	490841969	JZTHSPVTFSDIBG-GLQBXYGBSA-N	304.321	1.341	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)COc1ccccc1F)C(F)F	836191893	QXKZLZHUAOSXPS-SECBINFHSA-N	319.283	1.579	50	20	DDGD	
CC[C@@H](CNCc1ccc(B(O)O)cc1F)Oc1ccccc1	585024575	XWZSKHCPXSORDC-HNNXBMFYSA-N	317.169	1.453	50	20	DDGD	
CC(C)[C@@H]1C[C@H](NC(=O)NNC(=O)[C@H]2CCCCO2)CCO1	836384617	KHMHYXSBDWZOAN-UPJWGTAASA-N	313.398	1.090	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNC(=S)Nc2ccccn2)s1	833311443	POVPDIKGRTWBQM-UHFFFAOYSA-N	322.371	1.473	50	20	DDGD	
C[C@@]1(C(=O)NCCC2(O)CCOCC2)C[C@@H]1Br	908134040	LVQPMTGEPHGSQQ-GXSJLCMTSA-N	306.200	1.208	50	20	DDGD	
Cc1nc(-c2ccsc2)ccc1C(=O)N1CC[C@H](B(O)O)C1	585068649	CWGGQYKDPQRLBG-LBPRGKRZSA-N	316.191	1.807	50	20	DDGD	
OB(O)[C@@H]1CCN(c2nc(-c3cc(F)cc(F)c3)ns2)C1	585078505	FMFMJQUYDZGMOI-MRVPVSSYSA-N	311.122	1.536	50	20	DDGD	
CC(C)N1CCN(C(=O)[C@]2(C)C[C@H]2Br)CC1=O	907271052	VANQVUXJFZSLJP-BXKDBHETSA-N	303.200	1.239	50	20	DDGD	
COC(=O)c1ccc(CCNS(=O)(=O)CCl)c(OC)c1	831637144	HEOXHBKSJYIIOV-UHFFFAOYSA-N	321.782	1.140	50	20	DDGD	
CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1nccs1	735450875	HREMTIKMPHFJIW-UHFFFAOYSA-N	313.346	1.477	50	20	DDGD	
CC(C)(C(=O)NNC(=O)COc1cccnc1)c1ccccc1	731230978	FGHRSCHPURWSTA-UHFFFAOYSA-N	313.357	1.586	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2C[C@@H](Oc3ccccc3)C2)c(F)c1	585049157	BWNLVKYFUSPZEO-FZNQNYSPSA-N	315.153	1.205	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCC1CC1)c1ccc(F)cc1F	900386417	UWACEUJQVLRTGQ-UHFFFAOYSA-N	311.332	1.983	50	20	DDGD	
CCC[C@@H](C(=O)NNc1ccc(C(=O)O)cc1OC)N(C)C	833647350	CLHLBMMZGKIWCM-LBPRGKRZSA-N	309.366	1.567	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)C1CN(C2CCCCC2)C1	837394149	HRLGNLNXHUCXEQ-UHFFFAOYSA-N	316.405	1.036	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CCCCO2)cc2n[nH]cc12	836483532	VURJIXMOVVBGCJ-ZDUSSCGKSA-N	317.349	1.593	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCC2(C#N)CC2)cc1F	838576200	HRFHOAWWPGYICF-UHFFFAOYSA-N	306.297	1.542	50	20	DDGD	
CCN(CC)CCC(=O)NN=C(C)Cc1ccnc(OC)c1	834931206	BZUKWWQUZVKSPF-UHFFFAOYSA-N	306.410	1.857	50	20	DDGD	
C[C@H](CBr)CN1CCS(=O)(=O)C[C@@H]1C1CC1	831386777	PUQBZJMZCPSDRM-MWLCHTKSSA-N	310.257	1.526	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CCCCN1CCCC1	731494445	SSHFPYSHXCWCLF-UHFFFAOYSA-N	319.405	1.722	50	20	DDGD	
O=C(NNC(=O)C1(Cc2cccc(Cl)c2)CC1)c1ncon1	832826275	VGYCBCYOZYLVIP-UHFFFAOYSA-N	320.736	1.507	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC(F)(F)F)ccc1[N+](=O)[O-]	918364278	NMEOEDFLOVXVCA-UHFFFAOYSA-N	305.212	1.617	50	20	DDGD	
O=C(CN1CCCC1=O)NNC(=O)c1ccc2c(c1)CCC=C2	913732517	ZIKKPNDOEPVEOM-UHFFFAOYSA-N	313.357	1.029	50	20	DDGD	
CCC[C@@H](NC(=O)NNC(=O)[C@H]1CCCCO1)c1ccccn1	836278076	DJXDGCNKPNEAFP-ZIAGYGMSSA-N	320.393	1.822	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CO[C@H]2CCC[C@H](C)C2)n1	746623118	DLGLIZYNNYDEJH-JQWIXIFHSA-N	308.382	1.832	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(C)o2)c1	744466404	MFLTYCRUKLITFK-UHFFFAOYSA-N	316.313	1.514	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2cc(C)ccc2OC)n1	746623059	DBEGKGMYURRLNB-UHFFFAOYSA-N	316.361	1.796	50	20	DDGD	
CCC(=NNC(=O)[C@@H](C)OCCOC)c1c(C)nn(C)c1C	748259419	JCRVPQYJODTROR-GFCCVEGCSA-N	310.398	1.319	50	20	DDGD	
CCc1noc2ncc(C(=O)NNC(=O)c3ccccc3)cc12	918397334	FWDBYADFPMILTJ-UHFFFAOYSA-N	310.313	1.860	50	20	DDGD	
CCCC[C@H](CN)NC(=O)NNC(=O)Cc1ccccc1OC	841956679	AXIQPKZSNDZLIZ-CYBMUJFWSA-N	322.409	1.086	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	841003879	GXMURQTUFAKOEY-KBPBESRZSA-N	322.361	1.035	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)Cc1csc(-c2cccs2)n1	910179751	NMKFMOCHAHWLDF-SECBINFHSA-N	311.432	1.758	50	20	DDGD	
CCCN(CC)CCNC(=O)NNC(=O)c1cccc(C#N)c1	746778752	DVDFMHYOAOGUKV-UHFFFAOYSA-N	317.393	1.234	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)N[C@@H]1CCN2CCC[C@H]2C1	916573774	PENMNEHQNWKPRP-YPMHNXCESA-N	319.365	1.848	50	20	DDGD	
CO[C@](C)(C1CC1)[C@@H](C)NC(=O)NNC(=O)CC(F)(F)F	840416383	LKBGFNPTSJSHQX-HQJQHLMTSA-N	311.304	1.473	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1ccc(C2CC2)cc1	842589273	IZXMCEFYJMBPCK-IINYFYTJSA-N	324.402	1.299	50	20	DDGD	
CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H](C)c1ccccc1	746369160	NQQQHBGCACLZNJ-BXUZGUMPSA-N	323.418	1.652	50	20	DDGD	
O=C(NNC(=O)c1cn(-c2ccccc2)cn1)NC1CCCC1	845320429	FQLXGPVTBXCGGY-UHFFFAOYSA-N	313.361	1.759	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(C)n1C(C)C	843972001	DGQQJEKAFSGMAT-QWHCGFSZSA-N	307.394	1.872	50	20	DDGD	
O=C(NNC(=O)c1sccc1C1CC1)C(=O)N1CCCC1	748245905	UBGUILCLJXSXDW-UHFFFAOYSA-N	307.375	1.009	50	20	DDGD	
Cc1cccn2cc(CCNC(=O)NNc3ccccn3)nc12	746776147	PFRKMHNHWMLUNT-UHFFFAOYSA-N	310.361	1.907	50	20	DDGD	
CN(C)C(=O)NN=Cc1cc(Br)c2c(c1)OCO2	745605653	VQLRYIDJUJZDSJ-UHFFFAOYSA-N	314.139	1.783	50	20	DDGD	
Cc1ccc(C(=O)N[C@H](C(=O)NN(C)C[C@H](C)O)C(C)C)cc1	910181713	CPOPOEOSCCJKTB-ZFWWWQNUSA-N	321.421	1.093	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H]2CCc3cnc(C)n3C2)n1	846263919	JOEIDDKLFCVBOR-JTQLQIEISA-N	320.784	1.649	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1cccc(OCCN)c1	841283439	SPMHLEOYQRMZIL-UHFFFAOYSA-N	308.382	1.613	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1csc(-c2ccoc2)n1	843650667	GBNHCMMUJNKULQ-WCBMZHEXSA-N	321.358	1.589	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCCc2sccc21	843655208	UUTHJNDIXDOHBX-NHCYSSNCSA-N	308.403	1.740	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)CCCc2ccccc2)CCN1	841983832	FBSHABOVXKFXIF-DZGCQCFKSA-N	318.421	1.480	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@]23CCC(=O)N2CCS3)cc1	748115177	ZPPQMFRXBGQVBP-CQSZACIVSA-N	302.359	1.067	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H]1CCSc2ccccc21	742053510	MXMXVACVODCXDE-LBPRGKRZSA-N	323.418	1.633	50	20	DDGD	
CCC(CC)n1nc(C)cc1C(=O)NNC(=O)c1ncccn1	841351008	YSHAEMMVGIZUAU-UHFFFAOYSA-N	316.365	1.417	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H]2CCCC[C@H]2CN)cc1	841948175	IZFKAFAWWYLQHN-GJZGRUSLSA-N	318.421	1.711	50	20	DDGD	
CN(C1CC(N)C1)S(=O)(=O)c1ccc(CCCCl)cc1	842887771	VBLQETRMTKITRF-UHFFFAOYSA-N	316.854	1.968	50	20	DDGD	
CC(C)NC(=O)NNC(=S)N[C@@H]1CCOc2ccccc21	741489229	NKKQKXHVSZVJBN-LLVKDONJSA-N	308.407	1.597	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@]2(C)CCCNC2)cc1	841970524	MRVOYJBXMQOWTM-QGZVFWFLSA-N	318.421	1.583	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNC(=S)NCC2CCC2)cc1	740110143	SSKNZEPUQYVFIZ-UHFFFAOYSA-N	307.375	1.294	50	20	DDGD	
COC[C@H](C)NC(=S)NNC(=O)Nc1cc(F)cc(F)c1	745036401	ZVZMOMREMRDWBD-ZETCQYMHSA-N	318.349	1.500	50	20	DDGD	
C[C@H]1CCc2c(C(=O)NNC(=O)c3ncccn3)csc2C1	841350020	FFQZBTVROUHUTC-VIFPVBQESA-N	316.386	1.738	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N=S2(=O)CCCC2)cc(C#N)n1C	925933127	WALNTOAXMYEJSC-NTUHNPAUSA-N	316.386	1.901	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNc2ccccc2S(C)(=O)=O)O1	757382473	OKPGUFXZQDSZJX-ZYHUDNBSSA-N	312.391	1.491	50	20	DDGD	
Cn1cc(C=NNC(=O)c2ccccn2)c(-c2cccnc2)n1	920357011	SICGNNFGYLKJGH-UHFFFAOYSA-N	306.329	1.641	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNC(=O)c1ccc(OC)c(OC)c1	858123457	ZFRLQKWCUYMXJD-CYBMUJFWSA-N	324.377	1.670	50	20	DDGD	
Cc1nn(C)c(Cl)c1C(=O)NNc1ncc(F)cc1F	857531807	BSUYCBGMUJSUKI-UHFFFAOYSA-N	301.684	1.812	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1nsc2ccccc12	923029107	CRZMOJNMGXYGBZ-MRVPVSSYSA-N	321.358	1.399	50	20	DDGD	
COc1ccccc1-c1nn(C)cc1C(=O)NNc1ccncn1	857520997	WLDDMYHHDXKYQB-UHFFFAOYSA-N	324.344	1.643	50	20	DDGD	
CN(C)c1nccc(NNC(=O)CNc2ccccc2Cl)n1	750242720	UQRRSYQPQDBJAL-UHFFFAOYSA-N	320.784	1.751	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C(C)(C)c1ccccc1)[C@H]1CCC(=O)N1	859297620	AAFARXRDYNYDNZ-DGCLKSJQSA-N	317.389	1.026	50	20	DDGD	
Cn1ccc(CCNC(=O)NC[C@]2(C)C[C@@H]2Br)n1	856849975	VBOIFGDAWKOKLC-JQWIXIFHSA-N	315.215	1.435	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)N[C@@H]1CCc2c[nH]nc2C1	921446828	QXFNGEKXDZGPCX-SNVBAGLBSA-N	307.304	1.872	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)N1CC[C@@H]2C[C@H]2C1	852588953	MKXMORPWCUIDOC-NEPJUHHUSA-N	324.425	1.012	50	20	DDGD	
CCn1nccc1C=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1	753689725	GFBCNXLGVPAUGV-UHFFFAOYSA-N	302.294	1.157	50	20	DDGD	
CC(C)CCN1CCC(CNC(=O)NNC(=O)C2CCC2)CC1	751111772	PCHOZXKGFUTPGB-UHFFFAOYSA-N	324.469	1.875	50	20	DDGD	
CC(C)N1CC(=NNC(=O)c2ccc3c(c2)OCCO3)[C@@H](C)C1	754262130	YFPMESHQQCFDMD-LBPRGKRZSA-N	317.389	1.904	50	20	DDGD	
C=CCC(CC=C)C(=O)NNC(=O)Cn1cnc2ccccc21	758365607	CUUGEYHBZXPQCD-UHFFFAOYSA-N	312.373	1.952	50	20	DDGD	
CCc1ncc(C=NNC(=O)c2ccnc(N(C)C)c2)s1	752166519	WTJOCJCCPRKNJS-UHFFFAOYSA-N	303.391	1.930	50	20	DDGD	
CC1(CCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1	929231249	HGLAYUBQTDBJKZ-CYBMUJFWSA-N	304.346	1.554	50	20	DDGD	
CCn1ccnc1C=NNC(=O)c1cc([N+](=O)[O-])ccc1O	755751295	VVPCWXJGEMTXLB-UHFFFAOYSA-N	303.278	1.281	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc2ccccn2c1	854282052	QECNAVYESCWLBF-UHFFFAOYSA-N	320.418	1.427	50	20	DDGD	
CCOCCC1(CNC(=O)NNC(=O)CC(F)(F)F)CC1	752686693	JXBFBDKEAHENFT-UHFFFAOYSA-N	311.304	1.476	50	20	DDGD	
Cc1ccc([C@@H](C)N(C)C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1	858693877	AZRSYLNQJVCBPY-DGCLKSJQSA-N	318.377	1.007	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NC1CC(F)(F)C1	758852086	FVPOKJYLIIZZED-UHFFFAOYSA-N	323.303	1.384	50	20	DDGD	
Cn1c(=NNC(=O)c2coc(C(N)=O)c2)sc2ccccc21	759412721	ZXUXXEXVUBKLIR-UHFFFAOYSA-N	316.342	1.177	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cccc2nc[nH]c12	855090679	LLCJVUKAESRVSY-UHFFFAOYSA-N	303.391	1.472	50	20	DDGD	
CC(C)Cn1cc(C(=O)NNC(=S)NCC2CCC2)cn1	855089091	BSEHQYHTFGLAMO-UHFFFAOYSA-N	309.439	1.448	50	20	DDGD	
COCc1cncc(C(=O)NNC(=O)OCC(F)(F)F)c1	856023108	YUCSIJNWUKFTCH-UHFFFAOYSA-N	307.228	1.161	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(Cl)cc1-n1cccc1	756529209	PFKFHPKBGCGIJO-UHFFFAOYSA-N	322.752	1.930	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)[C@@H](C)CN2CCCCC2)c[nH]1	753162676	PRKXKVFTGKBPAQ-LBPRGKRZSA-N	320.393	1.373	50	20	DDGD	
COc1ccc(O)c(C(=O)NNC(=O)OCC(F)(F)F)c1	856025742	XXYXTGFEIXPUCY-UHFFFAOYSA-N	308.212	1.334	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@]2(C)CCCO2)c1C	853843447	NSCYWVWFXPHZOR-INIZCTEOSA-N	321.377	1.977	50	20	DDGD	
CCN1C[C@@H](C(=O)OC[C@@H](CBr)C2CC2)CC1=O	859493181	BOFRQZDYSCENQO-WDEREUQCSA-N	318.211	1.819	50	20	DDGD	
COC(=O)C1(CNC(=O)NNc2nc(C)cc(C)n2)CCCC1	752020337	IIPVSKFNJLKBKC-UHFFFAOYSA-N	321.381	1.453	50	20	DDGD	
C/C(=C\C1CCC(C)CC1)C(=O)NNC(=O)c1cnn(C)c1	865936147	GRFZTGQXRJULMT-XYOKQWHBSA-N	304.394	1.954	50	20	DDGD	
COc1ccsc1C(C)=NNC(=O)[C@H]1CCS(=O)(=O)C1	769776637	BNDWEVYYAXVIPX-VIFPVBQESA-N	316.404	1.032	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNC(=O)c2ccccc2C)n1	864530725	KZPSBXSTGMZLLP-LBPRGKRZSA-N	300.362	1.597	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)c1ccc[nH]1	760355990	ATHQHVKPWYLZNC-JTQLQIEISA-N	304.325	1.788	50	20	DDGD	
CCOc1nccc(C)c1C(=O)NNC(=O)Cc1ccncc1	764850082	KFDMHNVWTPZKOV-UHFFFAOYSA-N	314.345	1.187	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C(CC1CCC1)c1ccccc1	863186570	CDXFMGHKQJHNRU-UHFFFAOYSA-N	308.403	1.742	50	20	DDGD	
C[C@H](Cc1cnc[nH]1)C(=O)NNC(=O)CCc1ccccc1O	863865867	DCIXUODKZODNAO-LLVKDONJSA-N	316.361	1.074	50	20	DDGD	
Cc1cccc(CO[C@H](C)C(=O)NNC(=O)c2ccnnc2)c1	868930835	SCPFJDVIAKKOPD-GFCCVEGCSA-N	314.345	1.151	50	20	DDGD	
Cn1cccc1C(=O)NN=Cc1cncc(Br)c1	767361613	PLXWCAFNQXJXQU-UHFFFAOYSA-N	307.151	1.947	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCC(=O)N1)C(C)(C)c1ccc(F)cc1	863149238	VKPZTUWOICCYAE-CYBMUJFWSA-N	305.353	1.874	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=CCCC1CCOCC1	764912862	ZFBJUYUQLYFXNK-UHFFFAOYSA-N	307.350	1.318	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1ccc(F)cc1Br	763172651	TUOUZUDFNMPIDG-UHFFFAOYSA-N	316.174	1.990	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CSc1ccccc1O)n1cccn1	764049473	ZTFQIWNMPJCVIN-JTQLQIEISA-N	320.374	1.089	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccccc1N1CCCC1	875145337	GFYBSYNEOLFBIQ-UHFFFAOYSA-N	306.366	1.699	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NNc1nccnc1Cl	878856559	GTOSEXRBRHYQTP-XCBNKYQSSA-N	306.757	1.662	50	20	DDGD	
COCc1ccccc1S(=O)(=O)NNC(=O)CC(C)C	778557944	XIMVYPJDZOSTEE-UHFFFAOYSA-N	300.380	1.189	50	20	DDGD	
COc1cc(F)cc(OC)c1C=NNC(=O)N1CCN(C)CC1	872368385	HCHPWYSVFJITBF-UHFFFAOYSA-N	324.356	1.134	50	20	DDGD	
CCNC(=O)c1ccc(NC(=O)NN(C)C(=O)OC)c(C)c1	878362225	PQRFLZSCNFMKCO-UHFFFAOYSA-N	308.338	1.479	50	20	DDGD	
CCC(=NNC(=O)CN1CCCC1=O)c1cc(C)ccc1OC	771550733	SBCXJAZZPDMVON-UHFFFAOYSA-N	317.389	1.856	50	20	DDGD	
Cc1csc([C@@H](C)NC(=O)NNC(=O)C2CCOCC2)n1	1119344886	CHGRPCUGKVOHHQ-SECBINFHSA-N	312.395	1.270	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc(CC)c1O	772024238	LQWLZHPUNYUMJZ-SECBINFHSA-N	308.334	1.057	50	20	DDGD	
CS(=O)(=O)Nc1cccc(CC(=O)NNc2ccccn2)c1	777474903	DIMMHEKYLHVJND-UHFFFAOYSA-N	320.374	1.139	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H](C)C[C@H]2CCOC2)cc1	1116268277	NVAKYXHRVSHMQA-VXGBXAGGSA-N	321.377	1.454	50	20	DDGD	
CC(=O)CC1(C(=O)NNC(=S)Nc2ccccn2)CCC1	874956093	KRZZAIOEKYIYFO-UHFFFAOYSA-N	306.391	1.549	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)C(=O)NNC(=S)Nc1ccccn1	874955964	DUMDWCQBTMHWRD-MRVPVSSYSA-N	318.406	1.543	50	20	DDGD	
CC[C@@]1(C(=O)OC[C@H](CBr)C2CC2)CCNC1=O	870046852	NNRAAMUIPPVKEP-GXFFZTMASA-N	318.211	1.867	50	20	DDGD	
CCCn1cc(C=NNC(=O)COc2cc(C)ccc2C)nn1	872329337	LKJAHRQEGKBVJN-UHFFFAOYSA-N	315.377	1.834	50	20	DDGD	
CSCCNC(=S)NNC(=O)C=C1CCSCC1	772173812	DPSCHNJWHCTQMW-UHFFFAOYSA-N	305.494	1.298	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1)C(C)C	771441276	TZIWSLSWQPRNJW-GFCCVEGCSA-N	322.390	1.570	50	20	DDGD	
CN(C(=O)c1cccc(CCl)c1)[C@H]1CCN2CCO[C@H]1C2	1120739456	KOPKHEIVIRBHEQ-GJZGRUSLSA-N	308.809	1.971	50	20	DDGD	
C[C@]1(COC(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@@H]1Br	1123039416	OAWIIUYCLHFEOV-VDDIYKPWSA-N	319.199	1.494	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc2ccccc2n1	880490200	NBVLNWSGGNPSER-CMPLNLGQSA-N	314.345	1.813	50	20	DDGD	
CN(C)c1ccc(F)cc1NC(=O)NNC(=O)CC(F)(F)F	880937249	MCUIKXVYZIMZJY-UHFFFAOYSA-N	322.262	1.997	50	20	DDGD	
CN(C)C(=O)c1ccc(CNS(=O)(=O)CCCCl)cc1	881773862	QYSMVDNVHXAPIX-UHFFFAOYSA-N	318.826	1.437	50	20	DDGD	
COc1ccc(CNC(=S)NNC(=O)[C@@H]2CCCCO2)cc1	772219099	FVWKFFWNNDNRFF-ZDUSSCGKSA-N	323.418	1.260	50	20	DDGD	
CN(C)C[C@@H](NS(=O)(=O)CCCCl)c1ccc(F)cc1	882198727	ZNQFSWDWONDORM-CYBMUJFWSA-N	322.833	1.977	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)[C@@H]1OC[C@@H]2CCC[C@@H]21	880681574	PQEHJFNHADZYKQ-GMOODISLSA-N	309.297	1.992	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1cccc2nn[nH]c12	783621605	MZVRGVSVFQMXTQ-UHFFFAOYSA-N	322.288	1.160	50	20	DDGD	
COC(C)(C)CC(=O)NNC(=O)Cn1ccc2ccccc21	783303340	CJXADPTYAMCUEN-UHFFFAOYSA-N	303.362	1.604	50	20	DDGD	
O=C(NC[C@@H]1CCC[C@@H]1C1CC1)NNC(=O)c1cccnn1	883690003	ZKVRPPZFFLARGU-NWDGAFQWSA-N	303.366	1.247	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=C(CC(C)(C)C)C1CC1	787155589	QOPOOHBMLOLSNZ-VIFPVBQESA-N	303.428	1.243	50	20	DDGD	
Cc1cc(C)n(CCCC(=O)NNc2ccnc(N(C)C)n2)n1	895275865	KDWLYPDRQBMBNJ-UHFFFAOYSA-N	317.397	1.279	50	20	DDGD	
C[C@@H]1C[C@H](CCNC(=O)NNc2ccc(Cl)nn2)CCO1	784516556	NSTIAOPIFOEVLN-NXEZZACHSA-N	313.789	1.961	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cccc(OCC#N)c2)cc1	783348675	SOFMPTOMKVNQEB-UHFFFAOYSA-N	324.340	1.979	50	20	DDGD	
O=C(NN=Cc1ccc([N+](=O)[O-])cc1Cl)N1CCOCC1	783838325	XHRHCGPMLBMXPA-UHFFFAOYSA-N	312.713	1.624	50	20	DDGD	
C[C@]1(CNC(=O)c2cccn3nnnc23)C[C@H]1Br	899042259	MROIGWYGVVKPGJ-LDYMZIIASA-N	310.155	1.028	50	20	DDGD	
Cc1noc(C(F)F)c1C(=O)NNC(=S)NC(C)(C)C	899996412	KLXKOUCYBFSSQZ-UHFFFAOYSA-N	306.338	1.828	50	20	DDGD	
Cc1cc(NNC(=O)c2csc(N3CCCCC3)n2)ncn1	896383713	QKWKPTYQMMIZJH-UHFFFAOYSA-N	318.406	1.989	50	20	DDGD	
Cc1c(NNC(=O)NCCN2CC[C@H](C)C2)cccc1[N+](=O)[O-]	897433257	SZFPQMJEMFRMSC-NSHDSACASA-N	321.381	1.871	50	20	DDGD	
CSc1nc(C)c(CCC(=O)NN=c2cc[nH]cc2)c(O)n1	780761067	DZYMUVHBBMJRNO-UHFFFAOYSA-N	319.390	1.105	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCn2ccccc2=O)c1	780795602	PRPNLFBYEUTGOP-UHFFFAOYSA-N	315.329	1.168	50	20	DDGD	
CN1CCCN(S(=O)(=O)c2ccc(CCl)cc2)CC1	88922028	IDEGNAOQLNNRRD-UHFFFAOYSA-N	302.827	1.752	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNc1nc2ccccc2n1C	899094935	ASRNJGGTIUBBQP-NXEZZACHSA-N	302.334	1.216	50	20	DDGD	
CCc1nn(C)cc1NC(=O)NNc1cccc(C(=O)OC)c1	780638092	YHBKZEICFSIMHA-UHFFFAOYSA-N	317.349	1.918	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc(OCC(=O)OC)cc1	786042660	BVHZJRXPKYQAHY-ZROIWOOFSA-N	323.370	1.928	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cc2nccnc2cc1F	792633076	MWAHHPDTTRHDKJ-UHFFFAOYSA-N	316.214	1.482	50	20	DDGD	
Cc1cccnc1NNC(=O)Cn1ncc2ccccc2c1=O	791223624	IFZMXOHQQPRFOQ-UHFFFAOYSA-N	309.329	1.243	50	20	DDGD	
COc1c(C)cc(C(C)=NNC(=O)C(=O)NC2CC2)cc1Cl	794886044	DJPXZPRYZZDJSW-UHFFFAOYSA-N	323.780	1.776	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=S)NC(C)(C)C)c(F)c1	899996565	YDUJHPZZUHZQEG-UHFFFAOYSA-N	311.382	1.936	50	20	DDGD	
CCc1ccc(C(=O)NNS(=O)(=O)c2ccc(C)nc2)cc1	795285721	XLJIUPVNESJOCK-UHFFFAOYSA-N	319.386	1.576	50	20	DDGD	
C=CCNC(=S)NNC(=O)C1(c2ccc(OC)cc2)CCC1	798304734	JVQNAKPHNRUSMM-UHFFFAOYSA-N	319.430	1.798	50	20	DDGD	
Cn1cncc1CCC(=O)NNC(=O)c1ccc2ccccc2c1	793105196	PTAMYCYLPGEZFK-UHFFFAOYSA-N	322.368	1.967	50	20	DDGD	
CC(=NNC(=O)c1c(C)nc2ccccn12)c1ccnc(O)c1	790288622	RTUWVPYSJKLVIX-UHFFFAOYSA-N	309.329	1.897	50	20	DDGD	
COC(C)(C)C(=O)COC(=O)/C(C#N)=C\c1ccc(O)cc1	798631302	LOJIOGJRPQGYPN-WQLSENKSSA-N	303.314	1.836	50	20	DDGD	
N#Cc1cccc(-n2ccc(C(=O)NNc3cnccn3)n2)c1	798991652	FEKCHKZBFAKWGS-UHFFFAOYSA-N	305.301	1.291	50	20	DDGD	
N#Cc1ccc(C[C@@H](C#N)C(=O)NNC(=O)c2ccncc2)cc1	792007549	XFHANPVJOYENQX-HNNXBMFYSA-N	319.324	1.097	50	20	DDGD	
C#CCC[C@H](O)CNS(=O)(=O)c1ccc(CCCl)cc1	717914435	YFRFZKDEQWOMMS-ZDUSSCGKSA-N	315.822	1.521	50	20	DDGD	
O=C(Cn1ccc2ccccc2c1=O)NNc1ccnc(F)c1	790926840	AXEHNMQHRKDVBM-UHFFFAOYSA-N	312.304	1.679	50	20	DDGD	
CCNC(=O)N(C)N=Cc1cn(CC(=O)O)c2ccccc12	799883844	UBFXZVQRBZLGKK-UHFFFAOYSA-N	302.334	1.721	50	20	DDGD	
CC(=NNC(=O)Cn1c(C)nc2ccccc21)c1ccc(O)nn1	790148502	XXVLOFHCMKYVTE-UHFFFAOYSA-N	324.344	1.381	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)C(=O)c2ccccc2)c1	792302715	XFQYSFFNHAHWGX-UHFFFAOYSA-N	318.354	1.416	50	20	DDGD	
C[C@H]1CSCC1=NNC(=O)COc1ccccc1[N+](=O)[O-]	794876592	IKJNNAUXPHMVEI-VIFPVBQESA-N	309.347	1.829	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cncc(OCC(F)F)c1	1319287623	YAHFZRYACJUZBA-UHFFFAOYSA-N	302.281	1.078	50	20	DDGD	
Cc1ccc(CCNC(=O)NNc2nncc(N)c2Cl)cc1	1319224256	LATIGNIWXXIETM-UHFFFAOYSA-N	320.784	1.889	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNc1nc(-c2cccnc2)no1	1318487699	BXYLOJIAYWZJJK-UHFFFAOYSA-N	313.321	1.239	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2c(C)nc3ccccn23)cc1O	1319920724	QQUKDEUDVDIKCQ-UHFFFAOYSA-N	324.340	1.732	50	20	DDGD	
Cc1ccccc1C[C@H](C)NC(=O)NNC(=O)c1cn[nH]c1	1329157214	VPASLFKHNRRMIV-NSHDSACASA-N	301.350	1.293	50	20	DDGD	
COc1ncc(C(=O)NNc2cncc(Br)c2)cn1	1320252234	KKDPZQSRQBFQNQ-UHFFFAOYSA-N	324.138	1.400	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cccc(C#N)c1C	1323787391	HXCWFKSWJBQIKS-UHFFFAOYSA-N	319.361	1.417	50	20	DDGD	
CC(C)(Oc1ccccc1)C(=O)NNC(=O)Cc1cccnc1	1323269981	QTWDQKITKPIHFT-UHFFFAOYSA-N	313.357	1.629	50	20	DDGD	
Nc1cnnc(NNC(=O)N[C@H](C2CC2)C(F)(F)F)c1Cl	1323429939	WEIYHLAHHYEFGO-SSDOTTSWSA-N	324.694	1.679	50	20	DDGD	
Cc1n[nH]cc1CNC(=O)NNc1ccc(C(C)(C)C)nn1	1320286170	WJKDCHIDVZDXRT-UHFFFAOYSA-N	303.370	1.632	50	20	DDGD	
CCc1oc2ccccc2c1C(=O)NNC(=O)[C@H]1CCC(=O)N1	1335330004	QHDJMXFMZSTRDY-SNVBAGLBSA-N	315.329	1.035	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Nc2c(C)noc2C)cc1	1254714071	KAVJATPQZXITRG-UHFFFAOYSA-N	304.306	1.767	50	20	DDGD	
CC1=NO[C@@](C)(C(=O)NNC(=O)CSc2ccc(C)cc2)C1	1335412305	GAHHWACOQKKSIE-OAHLLOKOSA-N	321.402	1.789	50	20	DDGD	
C[C@]1(COC(=O)CCN2CCCC2=O)C[C@H]1Br	1348961702	NWUTZGBXINXXHP-BXKDBHETSA-N	304.184	1.716	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cccc(Cl)n2)nc(C)n1	1345230168	UYWFAWKAGBYIFU-UHFFFAOYSA-N	320.740	1.224	50	20	DDGD	
CCC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)C1CCNCC1	1345142886	SDSOBNZYVFHTLM-TZMCWYRMSA-N	310.442	1.675	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc(-c2cn[nH]c2)cc1	1521638731	LRKZUEWZCNJQTJ-AWEZNQCLSA-N	314.345	1.407	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(CC(=O)O)cc1)[C@@H]1CCOC1	1604291037	JJBMNKRFPJWLEG-CMPLNLGQSA-N	307.350	1.365	50	20	DDGD	
Cc1nnc(CC(=O)NNc2ccc(C(=O)O)c(Cl)c2)o1	1600794144	GKRUODUNAPSVKG-UHFFFAOYSA-N	310.697	1.415	50	20	DDGD	
CO[C@@]1(C(=O)O)CCN(C[C@H](CBr)C2CC2)C1	1606702954	HSXWGTXTPFSINJ-JQWIXIFHSA-N	306.200	1.583	50	20	DDGD	
C[C@@H]1C(=NNC(=O)NCC(=O)O)CCN1Cc1ccccc1	1609830502	LJEUMDKHWYVDPG-LLVKDONJSA-N	304.350	1.021	50	20	DDGD	
CC(C)C[C@@]1(C(=O)NNc2cccc(C(=O)O)c2)CCNC1=O	1603782274	HEUULBGUEPDMIB-INIZCTEOSA-N	319.361	1.380	50	20	DDGD	
CCCCOCCNC(=O)NNc1ccc(F)c(C(=O)O)c1	1609969876	CIIIWILJRFRZLF-UHFFFAOYSA-N	313.329	1.967	50	20	DDGD	
Cn1cc(C(=O)NNc2cccc(C(=O)O)c2F)c(Cl)n1	1600932546	OMJKWSKPKBZQMR-UHFFFAOYSA-N	312.688	1.668	50	20	DDGD	
COCCN(CCC(=O)O)C(=O)[C@]1(C)C[C@@H]1Br	1604597834	OEGZTJUANSMWIX-GZMMTYOYSA-N	308.172	1.110	50	20	DDGD	
CC(C)(C)[C@H](C(=O)O)C(=O)NNc1ccc([N+](=O)[O-])cc1F	1602853271	PTBWUKREWLETKZ-JTQLQIEISA-N	313.285	1.924	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNC(=O)[C@H]2CCCS2)c1	1607589834	NXNQFBHQWGJSLN-LLVKDONJSA-N	308.359	1.350	50	20	DDGD	
C=C(C)COC(=O)/C(C#N)=C/c1cc(-c2nn[nH]n2)n(C)c1C	1602762813	JPMFJHJPCNBABM-LFYBBSHMSA-N	312.333	1.540	50	20	DDGD	
O=C(O)c1cc(OC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)ccc1[N+](=O)[O-]	1608857643	USCIPOLZVVEJCL-VSYUYLJXSA-N	305.242	1.424	50	20	DDGD	
CO[C@]1(C)CC(=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)C1(C)C	1549318734	QVJKKQJTPGSCIK-XHBSWPGZSA-N	309.410	1.157	50	20	DDGD	
O=C(NCC(Cl)Cl)c1cnn(C[C@H]2CCCCO2)c1	1553243757	VSAIJIQRHOIKHS-SNVBAGLBSA-N	306.193	1.986	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2coc(/C=C/C(=O)O)c2)n1	1574507159	OUXIIEXPAKIIJI-OWOJBTEDSA-N	323.696	1.160	50	20	DDGD	
CC1(C)CC[C@H](CNC(=O)NNC(=O)c2ccccc2O)NC1	1576417141	QQGKSVBNOUJWKA-LLVKDONJSA-N	320.393	1.114	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1ccc(C(F)(F)F)cn1	1589012372	JFPDXTAHABUXBN-UHFFFAOYSA-N	304.228	1.208	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)c1cc(C(F)F)ccc1F	1580736325	SFVZFZXLWFSNFM-UHFFFAOYSA-N	315.295	1.524	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)C2=CCCS2)C1	1841645414	DTEQUZFVRZSWAC-SNVBAGLBSA-N	318.801	1.745	50	20	DDGD	
CCOc1ccc(NNC(=O)c2csc(C(=O)O)n2)cc1	1597126169	WYUIRFLBDJXNJZ-UHFFFAOYSA-N	307.331	1.997	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1ccnn1C1CCC1	1595262200	URNFPGAGQOECNM-UHFFFAOYSA-N	301.306	1.458	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)C(=O)O)c2ccccc2n1	1594281175	WMCJIDALEPWEFL-SECBINFHSA-N	301.302	1.025	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cc(C(=O)O)cs1	1594643043	CAYPAGSYGZTYAX-SVRRBLITSA-N	313.335	1.024	50	20	DDGD	
Cc1cc(C=NNC(=O)CCc2ccco2)ccc1-c1nn[nH]n1	1591958785	HKBYOXBQVBHZAG-UHFFFAOYSA-N	324.344	1.851	50	20	DDGD	
COCCN(CC(C)C)NC(=O)C12CCC(C(=O)O)(CC1)C2	1599234856	HXDRUWSJLNCDNU-UHFFFAOYSA-N	312.410	1.657	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccc(C)c(C(=O)O)c2)[nH]1	1598959636	FRORPHLOPOSLJY-UHFFFAOYSA-N	317.301	1.565	50	20	DDGD	
C[C@H]1CCC[C@H](CNC(=O)NNc2ccc(CC(=O)O)cc2)O1	1594346022	KRHSGBQQEVUIKO-SMDDNHRTSA-N	321.377	1.897	50	20	DDGD	
COc1cc(C(=O)O)ccc1C=NNC(=O)NCc1ccco1	1776039002	BZZMBVNQZRTAFM-UHFFFAOYSA-N	317.301	1.820	50	20	DDGD	
CC(=NNC(=O)c1ccc(O)c(O)c1)c1cncc(C(=O)O)c1	1776058566	RWXWMBHTZINXLW-UHFFFAOYSA-N	315.285	1.345	50	20	DDGD	
Cc1cn(-c2ccccc2Cl)nc1C(=O)NNC(=O)N(C)C	165308923	LEJPNONSJFCDHO-UHFFFAOYSA-N	321.768	1.750	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cccc(N(C)C)n2)o1	152905017	QDONJDDDFRJVIU-UHFFFAOYSA-N	303.322	1.516	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccccc1CC(F)(F)F	156123341	WMWMIOMSJHJAPN-UHFFFAOYSA-N	318.299	1.506	50	20	DDGD	
COc1ccc(NNC(=O)Cc2cc(C)[nH]n2)c([N+](=O)[O-])c1	155238935	AWAONSTYMHMCJS-UHFFFAOYSA-N	305.294	1.321	50	20	DDGD	
CNC(=O)CCCC(=O)NNc1ccc([N+](=O)[O-])cc1Cl	156608121	JNSAEIRRDRSASI-UHFFFAOYSA-N	314.729	1.608	50	20	DDGD	
Cn1nnc2cc(C(=O)NNc3ccncc3Cl)ccc21	154821397	NAZWOGDQZVGGKL-UHFFFAOYSA-N	302.725	1.774	50	20	DDGD	
COc1cccc(OC)c1CC(=O)NNC(=O)c1ccc[nH]1	154894465	INWSYSJTXOOOCF-UHFFFAOYSA-N	303.318	1.036	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)NC(C)(C)C)ccc1[N+](=O)[O-]	8301664	XBGDYFHDWCSXJJ-UHFFFAOYSA-N	310.379	1.811	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1ccnc2ccccc12)C(C)C	106925635	DKQSXOSIEGUMNE-HNNXBMFYSA-N	300.362	1.839	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)Cc2c(C)nn(C)c2C)ncn1	173609213	HVEUFKDVHOLSDZ-VIFPVBQESA-N	302.382	1.457	50	20	DDGD	
C[C@H](c1ccc(F)c(F)c1)N(C)CC(=O)NNC(=O)C1CC1	112976389	SYCJOWLXCBYGGJ-SECBINFHSA-N	311.332	1.515	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1sccc1Br	119938063	VIQTUIRCWQUPSE-UHFFFAOYSA-N	320.237	1.806	50	20	DDGD	
O=C(NNC(=O)c1cccc(Br)c1)c1cn[nH]c1	174537927	GDGFECIZYQAGNJ-UHFFFAOYSA-N	309.123	1.247	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cc(Cl)ccc1O	103424645	NADRIDXOCYZDBG-UHFFFAOYSA-N	305.721	1.444	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cnc(Cl)c(Cl)c1	102360907	RBADADNKZFDDCU-UHFFFAOYSA-N	313.144	1.802	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(-n2nc(C)cc2C)cc1	68927248	QVEFEGQWPAYKBU-UHFFFAOYSA-N	302.334	1.880	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNC(=O)c2ccc3ccccc3n2)c[nH]1	173591704	SWINABKLTMHFJK-UHFFFAOYSA-N	322.324	1.306	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCCOc1ccc(C)cc1	65208414	QJKQQYWQGAMIBL-UHFFFAOYSA-N	323.393	1.521	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CC[C@H]1CCOC1	177622480	UGQWWXUPPABMQK-RYUDHWBXSA-N	324.352	1.557	50	20	DDGD	
CCCOc1ccc(OCC(=O)NNC(=O)NC(C)C)cc1	63270930	UCWRSAIOTKBLBU-UHFFFAOYSA-N	309.366	1.593	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@@H]2CCCO2)cc1	21343785	LJORCZXUOZTKRS-LBPRGKRZSA-N	309.391	1.582	50	20	DDGD	
CCCCN(C)CC(=O)NNC(=O)c1ccc(OC)c(OC)c1	28905810	MSQSFKGXSAVJKV-UHFFFAOYSA-N	323.393	1.197	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=S)NCC(F)(F)F	64080618	JHDKZOJGCNQBBA-UHFFFAOYSA-N	321.324	1.295	50	20	DDGD	
O=C(NNC(=O)C(F)(F)C1(O)CCC1)c1c[nH]c2ccccc12	305648295	CUBWMTGNWGFSQI-UHFFFAOYSA-N	323.299	1.479	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2n[nH]c3ccccc23)nc1	179793741	RNOARZWRVPHCFN-UHFFFAOYSA-N	311.301	1.501	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)/C=C(/C)C1CC1	126839156	IIBDQCJZTKAUFF-BENRWUELSA-N	318.373	1.968	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCc2c(F)cc(F)cc2C1	120499408	XIIFKZHMTVXEBZ-VIFPVBQESA-N	311.332	1.269	50	20	DDGD	
CCCc1cc(NC(=O)C(=O)NNc2cccc(F)c2)n(C)n1	120875767	RQGQXGBBFNBWFU-UHFFFAOYSA-N	319.340	1.594	50	20	DDGD	
C/C=C(/CC)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1	188768711	OQTLIPIWGGREBH-BASWHVEKSA-N	317.393	1.197	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1cccc2nn[nH]c12	187644960	UAIVYGOLIKIWAR-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
Cn1cc(/C=C(\C#N)c2ccc3ccccc3n2)c(=O)n(C)c1=O	211291432	VBUTYOQUVLBOQI-UKTHLTGXSA-N	318.336	1.696	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)CC[C@H]2CCCO2)c1	75541672	WZUAZYFCXMYYLV-CQSZACIVSA-N	305.378	1.473	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NCCc1ccco1	121702229	MPNWBAMGIHZEBY-UHFFFAOYSA-N	317.345	1.369	50	20	DDGD	
CN(NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C(N)=O	181091288	UETKGODXDVYURZ-UHFFFAOYSA-N	322.752	1.969	50	20	DDGD	
CCc1ccccc1S(=O)(=O)NNC(=O)c1ccc(C)o1	187534842	OURDHZQOTQXEPF-UHFFFAOYSA-N	308.359	1.774	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)n1cccn1	44667977	WZIJYXIVFXOYGA-SFCYXTAJSA-N	316.405	1.808	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1NC(=O)NNc1ccc(-n2cccn2)nn1	43043082	YRBXZENXYQEQEE-NEPJUHHUSA-N	315.381	1.867	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NCC1CCC1	42328683	COGIOHBWLQBASV-UHFFFAOYSA-N	301.350	1.387	50	20	DDGD	
CC/C=C(\C)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12	195381897	DCCAHHHSAPVCPR-JXMROGBWSA-N	314.345	1.051	50	20	DDGD	
CN(C)C(=O)NNC(=O)Cc1ccc(Br)cc1	194934433	ZWBUFQBIQRUZMA-UHFFFAOYSA-N	300.156	1.294	50	20	DDGD	
C[C@H]1CCCN([C@H](C)CNC(=O)NNC(=O)CC(C)(C)C)C1	246070876	BSHLNZCRXIJLTM-QWHCGFSZSA-N	312.458	1.873	50	20	DDGD	
CCc1nc(CCNC(=O)NNC(=O)c2ccccc2)cs1	263835540	WSCINKHHXLKDDQ-UHFFFAOYSA-N	318.402	1.892	50	20	DDGD	
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccccc1	264156626	XHZCJDRBHHFIIU-LBPRGKRZSA-N	321.377	1.751	50	20	DDGD	
O=C(NNC(=O)c1cnc2n1CCCC2)NC1CCCCC1	366651527	IAFALWKHYJICBW-UHFFFAOYSA-N	305.382	1.496	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@]1(O)CCO[C@H]1C	279486870	MYNLYPLAWSEOSH-SMDDNHRTSA-N	315.801	1.008	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1c(-c2ccccn2)noc1C	272669434	KDWUZORXANILRR-UHFFFAOYSA-N	303.322	1.351	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cc2n(n1)CCO2	368674737	CJMUWVCNNUHCCV-UHFFFAOYSA-N	305.246	1.412	50	20	DDGD	
Cc1cccnc1NNC(=O)CCCNC(=O)c1cccnc1	276804899	YVLXPVHBUJWHGN-UHFFFAOYSA-N	313.361	1.438	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@@H](C)CN2CCCC2)n1	279827766	GSLGCMHIPCGYBO-GFCCVEGCSA-N	319.409	1.066	50	20	DDGD	
CN(C)CCc1ccc(CNC(=O)NNC(=O)C(C)(C)C)cc1	276165619	SHUDPQOBZOZUMD-UHFFFAOYSA-N	320.437	1.667	50	20	DDGD	
CC[C@H]1C[C@@H](CC(=O)NNc2nc3ccccn3n2)CCO1	276897039	ZBWKYYFMNQZKFV-RYUDHWBXSA-N	303.366	1.768	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)C1CCSCC1	286750042	UVEAERGJKFAQMU-UHFFFAOYSA-N	304.379	1.249	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	283673054	GJUDPDHGMTULKG-UHFFFAOYSA-N	301.293	1.790	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNC(=O)NCC(F)(F)F)cn1	281083650	GGNOZCLAOHVHQE-UHFFFAOYSA-N	307.276	1.144	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H]2CCC[C@H](N(C)C)C2)n1	280139226	DQHUUWJWLAFKDZ-STQMWFEESA-N	319.409	1.207	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN(C)C1CCCCC1	297921743	QLHKUUFZMKBMIV-UHFFFAOYSA-N	317.433	1.949	50	20	DDGD	
COc1nc(C(=O)NNC(=O)NC2CC2)cc2ccccc12	299355932	PRTLJJXTLDUAOW-UHFFFAOYSA-N	300.318	1.350	50	20	DDGD	
C[C@@H]1CCCN(C(C)(C)CNC(=O)NNc2ccncn2)C1	296357077	NLBHXYUSYATHTG-GFCCVEGCSA-N	306.414	1.613	50	20	DDGD	
CCN1CCOC[C@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1C	805379311	BFNKPIDOIXONEX-ZDUSSCGKSA-N	308.338	1.067	50	20	DDGD	
O=C(CSc1nnc(S)s1)NCC(Cl)Cl	297083907	MGWUNBQDTZGOFF-UHFFFAOYSA-N	304.249	1.839	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-])S(C)(=O)=O	296194819	TWQXPDQALUHTQZ-LURJTMIESA-N	321.742	1.124	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1ccc(-c2cnn(C)c2)s1	800795784	VDEJELNBLOKBSW-SDQBBNPISA-N	322.415	1.904	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2)C1CC1	804156975	OBWHLQLUSXGOTM-OKDIFOJXSA-N	320.433	1.901	50	20	DDGD	
CCc1nc(CNC(=O)NNc2cccc([N+](=O)[O-])c2C)n[nH]1	297165580	AJSZZTRWAJTDSE-UHFFFAOYSA-N	319.325	1.410	50	20	DDGD	
Cc1cc(N2CCCCCC2)ccc1NC(=O)NNC(=O)CO	806637068	WXOXJXDKXKCSRJ-UHFFFAOYSA-N	320.393	1.520	50	20	DDGD	
O=C(CCc1nc(C2CCCC2)no1)NNC(=O)CC1CC1	294073046	HFHRIROEPOXGFD-UHFFFAOYSA-N	306.366	1.607	50	20	DDGD	
COCCOc1ccc(NC(=O)NNC(=O)OC)cc1Cl	298996476	LVSMTSHFJUHHGL-UHFFFAOYSA-N	317.729	1.758	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cccc(Cl)c1F	295676835	XPVLCXXMYNPUSO-JTQLQIEISA-N	300.717	1.809	50	20	DDGD	
O=C(CCc1nc[nH]n1)NNC(=O)Nc1ccc(Cl)cc1	802020284	PIDXYJQIEOMCLO-UHFFFAOYSA-N	308.729	1.244	50	20	DDGD	
CCc1nocc1C=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1	814753435	NIVBJQZIUZDPQF-UHFFFAOYSA-N	303.278	1.491	50	20	DDGD	
CCc1nn(C)c(OC)c1C=NNC(=O)c1ccccc1O	814694865	BSESYSIEIHFXIG-UHFFFAOYSA-N	302.334	1.461	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H](C)[C@@H](C)COC)nc1C	812545647	XIAPVLCTWJQKPM-UWVGGRQHSA-N	324.381	1.323	50	20	DDGD	
Cn1ncc(C=NNC(=O)COc2ccccc2O)c1Cl	814952423	ZGPDKMYAFZCLQZ-UHFFFAOYSA-N	308.725	1.308	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1cc(F)cc(Br)c1	816634132	ZHPMNKDHGTYXTE-UHFFFAOYSA-N	300.091	1.463	50	20	DDGD	
CC(=NNC(=O)c1nnc(-c2ccccc2)o1)c1c[nH]nc1C	814815689	GNTLUTQAASZGAB-UHFFFAOYSA-N	310.317	1.922	50	20	DDGD	
C[C@H](CN1CCCCCC1)C(=O)NN=C1CCN(C(N)=O)CC1	812444112	XOEMJFLAFMWZAN-CYBMUJFWSA-N	323.441	1.145	50	20	DDGD	
COCCN(C)NC(=O)c1cc(COc2ccccc2F)on1	819744977	KSSCQJOVLDAIMA-UHFFFAOYSA-N	323.324	1.616	50	20	DDGD	
CN(NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1	819646355	ULCCBBXXIZUELC-UHFFFAOYSA-N	301.306	1.520	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCCN(C=O)CC1	819431982	LONKWTRSPUERKZ-SNVBAGLBSA-N	305.216	1.487	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1ccc(-n2cncn2)nc1	817008322	NGXXULKBILFCMD-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H](C)Cc1cnc2ccccc2n1	814734407	JSNMRDZHUOTNHR-NSHDSACASA-N	300.362	1.612	50	20	DDGD	
O=C(NNC(=O)[C@H](F)C(F)(F)F)c1ccc(Cl)cc1O	810177388	QLUHPIPSYKEYIE-ZETCQYMHSA-N	314.622	1.707	50	20	DDGD	
COC[C@H](NC(=O)NNc1ncncc1F)c1ccccc1	814316623	DVTZQDMWVBTRRE-LBPRGKRZSA-N	305.313	1.630	50	20	DDGD	
CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NNC(=O)CC1CC1	819104338	JDTUOYBKMNQUNG-GFCCVEGCSA-N	309.410	1.361	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)Cn2ccc3ccccc32)CO1	825937814	CQEIRGNPUAWLKP-WCQYABFASA-N	316.361	1.149	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H](C)c1cccc(O)c1)C1CC1	824446619	OIQHXWOUQGQIEY-ZJUUUORDSA-N	307.419	1.790	50	20	DDGD	
CN(CC[C@@H]1CCCCN1C)C(=O)/C(C#N)=C/c1cnn(C)c1	491108874	YQEWMPXFSSFDIO-KMPOOHAWSA-N	315.421	1.660	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H]1CC(=O)N(C(CC)CC)C1	729343184	KVQAEFYAMDTJQT-NSHDSACASA-N	312.414	1.154	50	20	DDGD	
CCO/C=C\C(=O)NNC(=O)c1ccc(CN(CC)CC)o1	493771247	MCGVEVSTSLPWKS-KTKRTIGZSA-N	309.366	1.433	50	20	DDGD	
COC(=O)N(C)NC(=O)C#Cc1ccc(C(F)(F)F)cc1	495629977	YBPOTXUTUAPGCO-UHFFFAOYSA-N	300.236	1.786	50	20	DDGD	
CCCNC(=O)NNC(=O)CCN(Cc1ccccc1)C(C)=O	726163494	XONOFXIRUJBGBO-UHFFFAOYSA-N	320.393	1.166	50	20	DDGD	
C#C[C@@H](C)NC(=O)NNC(=O)COc1cc(C)ccc1C(C)C	820446761	OTVRUDTVAOHNIC-CYBMUJFWSA-N	317.389	1.849	50	20	DDGD	
Cc1c(C(=O)NN(C)[C@H](C)CO)cnn1-c1ccc(Cl)cc1	823976946	LLZCQMIOIACBHW-SNVBAGLBSA-N	322.796	1.792	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNC(=O)NC1CCCCC1)C(C)(C)C	822195767	GTLLNJDHHRPOGJ-GFCCVEGCSA-N	312.414	1.200	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CC[C@@H](c3cccnc3)C2)cn1	491005861	CCUANLUEVJNIEM-FLLLGSRRSA-N	307.357	1.738	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)[C@@H](C)c1ccc(F)cc1	827315280	PCPRSAQOWMFNIY-MJVIPROJSA-N	323.368	1.984	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCCCC(=O)c1ccc(F)cc1	823934618	ILRVAXHWOXJRPN-GFCCVEGCSA-N	310.369	1.913	50	20	DDGD	
Cc1cccnc1C(=O)NN=Cc1ccccc1-c1nn[nH]n1	826308328	UQUSWEUYHJFOOR-UHFFFAOYSA-N	307.317	1.334	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)Nc2cc(F)cc(F)c2)CO1	827617244	FCZOEXDDUNJOTF-WRWORJQWSA-N	314.292	1.478	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(Cl)ncc1F	823476500	ZKKDOPPNOOFMLB-RQJHMYQMSA-N	301.705	1.060	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cnnn1-c1cccc(F)c1	496857472	URRMPDPNONREKG-UHFFFAOYSA-N	321.312	1.576	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc(O[C@@H](C)CC)cc1	495409191	XJHKJWNXGTVQJY-JTQLQIEISA-N	323.349	1.580	50	20	DDGD	
C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1	585009372	XUBQHQZSJFAPOQ-XHDPSFHLSA-N	305.158	1.370	50	20	DDGD	
CC(C)Cc1ncc(NC(=O)/C(C#N)=C\c2cnn(C)c2)cn1	491127150	AJPNMSVYIDZIDO-ACAGNQJTSA-N	310.361	1.954	50	20	DDGD	
COc1cc(C)c(NCc2ccc(B(O)O)cc2F)cc1C	585039383	TZSAFEMBVRZNMC-UHFFFAOYSA-N	303.142	1.743	50	20	DDGD	
Cc1ccccc1C1=NO[C@@H](C(=O)NNC(=O)C2CCC2)C1	906645119	SPZVTNHICBCDQR-CQSZACIVSA-N	301.346	1.436	50	20	DDGD	
O=C(NCc1ccco1)NN=Cc1cc(C(=O)O)ccc1O	739448187	QNUXELASINNCPI-UHFFFAOYSA-N	303.274	1.517	50	20	DDGD	
CC(C)c1ccc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1	730576561	RXXJAZRYKOZKDC-CQSZACIVSA-N	308.403	1.695	50	20	DDGD	
C#CCOc1ccc(C=NNC(=O)COCC)cc1OCC	731154087	SPQVVQMKZOXYBV-UHFFFAOYSA-N	304.346	1.584	50	20	DDGD	
CCOC(=O)/C=C\c1ccc(NC(=O)NNC(=O)OC)cc1	490556313	OEIPEBTWNBEGPA-TWGQIWQCSA-N	307.306	1.655	50	20	DDGD	
C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(B(O)O)ccc1F	584950555	KMHALGFPDQPYKF-ZETOZRRWSA-N	305.158	1.299	50	20	DDGD	
O=C(/C=C/SCc1ccco1)NNC(=O)N=c1cc[nH]cc1	492860576	IGCKSYGGORNCAR-WEVVVXLNSA-N	318.358	1.696	50	20	DDGD	
COCC[C@H](NCc1ccc(B(O)O)cc1)c1ccc(C)o1	585033237	BQQJAHKXAGRJKV-HNNXBMFYSA-N	303.167	1.135	50	20	DDGD	
CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CCOC1	735449176	XBLGIYJKAPJJIA-LBPRGKRZSA-N	300.322	1.009	50	20	DDGD	
CCC[C@H](NCc1ccccc1B(O)O)[C@H](O)c1ccccc1	585039931	ZSDTUNFLXCVBHZ-ZWKOTPCHSA-N	313.206	1.358	50	20	DDGD	
COc1ccc(NC(=O)NN=Cc2cnc3n2CCOC3)cc1	905476157	FIMBAKGVMUIDMR-UHFFFAOYSA-N	315.333	1.578	50	20	DDGD	
O=C(Cn1cc(C(=O)O)c2ccccc21)NNc1cnccn1	739359043	HTUVOVOGBUYAPV-UHFFFAOYSA-N	311.301	1.273	50	20	DDGD	
COCCOc1ccc(F)cc1NCc1cccc(B(O)O)c1	585012635	AZLICUNFXKNPTA-UHFFFAOYSA-N	319.141	1.143	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H](O)c1ccccc1C(F)(F)F	908448838	NOCZNFCLBPLVLS-GFCCVEGCSA-N	316.279	1.686	50	20	DDGD	
CO[C@@H](C1CC1)[C@@H](C)NC(=O)NNC(=O)CCc1ccccc1	836642211	RMZXIRLGLPITCA-MLGOLLRUSA-N	319.405	1.763	50	20	DDGD	
COc1cc(/C=C(/C#N)S(=O)(=O)N(C)C)c2c(c1)C[C@@H](C)O2	588615191	IEDIKWFYADUJHI-DOQDJBIESA-N	322.386	1.774	50	20	DDGD	
CC(C)Oc1ccc([C@@H](C)NCc2ccc(B(O)O)o2)cc1	585021336	IURWLIMPRFKHRO-GFCCVEGCSA-N	303.167	1.597	50	20	DDGD	
C[C@@]1(NNC(=O)NCC2CCCCCC2)CCS(=O)(=O)C1	838668982	QXCNMCZAVPIETH-CQSZACIVSA-N	317.455	1.338	50	20	DDGD	
CCC(COC)=NNC(=O)c1nn(C)c(=O)c2ccccc12	735970442	GEANGBKEDIOZOC-UHFFFAOYSA-N	302.334	1.076	50	20	DDGD	
CC1(C)C[C@@H]1CNC(=O)NNC(=O)COc1ccccc1O	732828237	QRCMGWKXVOHMCK-SNVBAGLBSA-N	307.350	1.148	50	20	DDGD	
CC(C)c1ccc(NNC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cc1	838517136	UJJRRYNYXGMLNB-UONOGXRCSA-N	320.393	1.469	50	20	DDGD	
CC1(O)CCC(NC(=O)NNc2ncc(F)cc2F)CC1	838508717	ZJCIJWQQZXVSKH-UHFFFAOYSA-N	300.309	1.680	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@@H](O)Cc1cccc(Cl)c1	834802564	VTZXVUNZUMPRGH-HCYCVZQXSA-N	308.765	1.804	50	20	DDGD	
CCC(CC)c1cc(CNCc2ccc(B(O)O)cc2F)on1	585025321	REKJEDIZJCBDFA-UHFFFAOYSA-N	320.173	1.687	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1cc(C)ccc1OC(F)F	833385213	SZIHSFHNFOPVHL-UHFFFAOYSA-N	315.276	1.704	50	20	DDGD	
CCN(CC(=O)NNC(=O)C1CC1)[C@@H](C)c1cccc(OC)c1	733194561	ZRXRHTXWORGTHI-LBPRGKRZSA-N	319.405	1.636	50	20	DDGD	
Cc1cccc([C@H]2C[C@H](NC(=O)c3cccc(B(O)O)c3)C2)c1	584982640	HLLRQWIPHUDHQL-JCNLHEQBSA-N	309.174	1.351	50	20	DDGD	
Cc1nn(CCC(=O)O)c(C)c1C=NNC(=O)NC1CCCC1	738923486	WSLNUNHVPZMULH-UHFFFAOYSA-N	321.381	1.550	50	20	DDGD	
C[C@@H]1CCC[C@@H]2CCCN(C(=O)c3ccc(B(O)O)c(F)c3)[C@@H]12	584934280	PXAHRWDFGLVEGU-HSMVNMDESA-N	319.185	1.546	50	20	DDGD	
C[C@@H]1CC=C(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)CC1	839474763	YYAUTQBDVHBBPE-MCIONIFRSA-N	323.437	1.380	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cc(O)cs1	732275466	DZRUZZDVDYPECR-UHFFFAOYSA-N	306.343	1.466	50	20	DDGD	
CCSCC[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCCCO1	836334083	KFBFDJHKJPZFAN-MNOVXSKESA-N	303.428	1.418	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc(-c2cccs2)on1	731853049	QNDMVAZVTWNTCS-UHFFFAOYSA-N	317.330	1.509	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CC1(CNC(=O)OC(C)(C)C)CC1	910147514	SIPZXZMODCIPQC-LLVKDONJSA-N	315.414	1.025	50	20	DDGD	
CC(=NNC(=O)Cc1csc(N2CCOCC2)n1)C(C)C	917564823	MTRMHUVVNAPPOG-UHFFFAOYSA-N	310.423	1.670	50	20	DDGD	
CO[C@@H](C)[C@@H](C)NC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836464109	OQCFTEONOGGVQH-BDAKNGLRSA-N	324.337	1.174	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1)c1ccc[nH]1	916372063	NLODNPIHMFYVQH-RWMBFGLXSA-N	306.410	1.600	50	20	DDGD	
CCCCNC(=S)NNC(=O)Cc1cn2ccccc2n1	914833402	FJACZISCVYWOTD-UHFFFAOYSA-N	305.407	1.172	50	20	DDGD	
CO[C@@H]1CCCCC1=NNC(=O)c1cc([N+](=O)[O-])ccc1O	741770262	DHBOQRDCEQPNFZ-CYBMUJFWSA-N	307.306	1.975	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2cccc3c2OCCO3)n1	917541104	NUZXTRQOTCFCPN-UHFFFAOYSA-N	317.370	1.916	50	20	DDGD	
CS[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)[C@@H]1CCCCO1	845333625	MENBTLNYZUUWNR-GRYCIOLGSA-N	315.439	1.560	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@H]2CCc3ccccc3C2)n1	846635685	SEAQIFCFWUXIEA-AWEZNQCLSA-N	311.389	1.791	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1ccncc1Cl	744491753	WUWWFKGFALVKCC-UHFFFAOYSA-N	316.708	1.937	50	20	DDGD	
COC(=O)c1ccc(O)c(C=NNC(=O)[C@H]2CCO[C@H]2C)c1	842554654	KHKDHNWSLPKABQ-CABZTGNLSA-N	306.318	1.054	50	20	DDGD	
CN(CCO[Si](C)(C)C(C)(C)C)CCN1CCNC1=O	844344513	ADJNCUPWTWGWAH-UHFFFAOYSA-N	301.507	1.965	50	20	DDGD	
CCn1ccc(CC(=O)NNC(=O)c2cc3c(s2)CCC3)n1	845084803	ZBSWGNRSBVITGI-UHFFFAOYSA-N	318.402	1.457	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@H]1C1CCCCC1)c1ncccn1	841594676	YEUGNDRREAZCHA-ZDUSSCGKSA-N	317.393	1.876	50	20	DDGD	
CC[C@@](O)(CC(=O)NNC(=O)NCC1CC1)c1ccccc1	840287915	AALUTKPAEYZIJY-MRXNPFEDSA-N	305.378	1.415	50	20	DDGD	
CCNc1nc(C)c(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)s1	844147401	WKIBMQWCDCZBOU-RKDXNWHRSA-N	312.395	1.069	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	842114384	NJDAOLVVKVPGLS-NEPJUHHUSA-N	316.398	1.173	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCCO2)c1ccn(C)n1	841617251	VMXWERAJHYJTCK-UHFFFAOYSA-N	300.318	1.345	50	20	DDGD	
O=C(NC[C@@H]1CNCCO1)NNc1c(F)cccc1Cl	842010463	ICCWIOPADKUBDJ-QMMMGPOBSA-N	302.737	1.094	50	20	DDGD	
CCSCc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)no1	843660001	VHDFIECMCNKERX-PSASIEDQSA-N	313.379	1.114	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)C1CCCC1)C(=O)OC(C)(C)C	843527268	CCUQJPFICGFSPF-GFCCVEGCSA-N	312.410	1.938	50	20	DDGD	
COCCn1cc(C=NNC(=O)Cc2ccc(Cl)cc2)cn1	743428551	BJIKDJJCUIMHEX-UHFFFAOYSA-N	320.780	1.876	50	20	DDGD	
CC[C@H](C)C(=O)NN=Cc1cnc2cnc(Br)cn12	746369521	USIVNPPAWRHLEK-QMMMGPOBSA-N	324.182	1.988	50	20	DDGD	
C[C@H](Cc1ccncc1)NC(=O)NNC(=O)c1cccc(C#N)c1	749622321	WOEZWGGSGWYKEG-GFCCVEGCSA-N	323.356	1.528	50	20	DDGD	
COC(=O)c1csc(C(C)=NNC(=O)[C@H]2CCO[C@@H]2C)c1	842557995	FLPMWKFPCFKSSX-KOLCDFICSA-N	310.375	1.800	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F)C1CC1	920054711	UIXBSLPWUHIDRA-GHMZBOCLSA-N	323.368	1.970	50	20	DDGD	
C[C@]1(CNC(=O)NCCC2CC(O)C2)C[C@@H]1Br	856956327	YHHAVKISJRLXFT-ILDFIYDHSA-N	305.216	1.620	50	20	DDGD	
C[C@H](CN(C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CCCCC1	858701133	HYMVQHULVCVEKB-YPMHNXCESA-N	324.425	1.154	50	20	DDGD	
C[C@]1(CNC(=O)c2cnn(CCF)c2)C[C@@H]1Br	857388891	WTEGMULTCMUOJZ-GXSJLCMTSA-N	304.163	1.756	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)Cn1nnc2c1CCCC2	855370424	YASYCLOOUKUBKG-UHFFFAOYSA-N	303.341	1.748	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cccc(N2CCCC2)c1	854683385	PGDUWFYLNLVALP-HNNXBMFYSA-N	317.389	1.617	50	20	DDGD	
CC[C@@H](C)[C@@H](CNC(=O)NNC(=O)c1cccc(F)n1)OC	852365306	SNRJWGGOACQJGM-MWLCHTKSSA-N	312.345	1.226	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCC2CCOCC2)nc1	759737872	HJSCUEXPFQVKJR-UHFFFAOYSA-N	307.350	1.518	50	20	DDGD	
CCC[C@H](O)C(=O)NNc1nc2ccccc2c(=O)n1CC	929774588	CFXYNYZRBHTVLW-LBPRGKRZSA-N	304.350	1.021	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)Cc2c[nH]c3ccccc23)O1	756899750	OPRPLZJMAOVPGJ-SWLSCSKDSA-N	315.373	1.815	50	20	DDGD	
C[C@]1(CN2C(=O)[C@@H]3CSCN3C2=O)C[C@@H]1Br	925006339	WDJUVXRBMVIDMF-MHYGZLNHSA-N	305.197	1.497	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCCCN1CCOCC1	853204998	ARJYYZBUZPRTDR-UHFFFAOYSA-N	310.373	1.483	50	20	DDGD	
CN(C(=O)NC[C@@]1(C)C[C@H]1Br)C1CCNCC1	857105679	PMXVQPJSUZDAMK-ZYHUDNBSSA-N	304.232	1.553	50	20	DDGD	
COCCCn1cc(C(=O)NNc2ccccc2[N+](=O)[O-])cn1	858105271	LAHIMLSPONMVOK-UHFFFAOYSA-N	319.321	1.585	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccc2nccnc2c1	855093318	LTLYXRYZDINYCF-UHFFFAOYSA-N	315.402	1.539	50	20	DDGD	
O=C(NN=Cc1cnc2ncccn12)[C@H]1COc2ccccc2O1	755485358	YCLMZVIJXFMQED-CQSZACIVSA-N	323.312	1.019	50	20	DDGD	
COCC[C@@H](Cc1ccco1)NC(=O)NNC(=O)c1ccc[nH]1	753277649	DIILWLJQYIMSFZ-NSHDSACASA-N	320.349	1.200	50	20	DDGD	
CCC[C@@H](C(=O)NNc1ccc(C(C)C)cc1)S(N)(=O)=O	854884324	FXIYORJRUHKBAO-ZDUSSCGKSA-N	313.423	1.710	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1cnn(CC(C)C)c1C	757800777	FTDCXJIQVBOFFU-UHFFFAOYSA-N	319.369	1.346	50	20	DDGD	
CCN(Cc1ccc(C(=O)NN(C)C(=S)NC)cc1)C(C)C	854926126	RWURYIGFIIPLHX-UHFFFAOYSA-N	322.478	1.998	50	20	DDGD	
CC1(C)OCC(C)(C(=O)NNC(=S)NCC2CCC2)CO1	855091043	ZIJZZNIMYRNEGR-UHFFFAOYSA-N	315.439	1.071	50	20	DDGD	
CC(C)NC(=O)[C@H](C)NC(=O)NC[C@@]1(C)C[C@H]1Br	856960433	PARXEBUQLQYSDK-YGOYTEALSA-N	320.231	1.372	50	20	DDGD	
CC[C@H](C(=O)NN(C)C(=S)NC)N(C)C(=O)OC(C)(C)C	854928669	JVDSTZXDOZAGKT-SECBINFHSA-N	318.443	1.099	50	20	DDGD	
Cc1cc(F)c(C(=O)NNc2ccnc(N(C)C)n2)cc1F	758296477	NXPVIVCRSSXBMF-UHFFFAOYSA-N	307.304	1.886	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2ccccc2OC)c(C)nn1	759071014	PVXXJXQFYFAGFP-UHFFFAOYSA-N	314.345	1.431	50	20	DDGD	
C[C@]1(CNC(=O)CNCC(F)(F)F)C[C@@H]1Br	857007523	NHWLXWQCWGZFKE-POYBYMJQSA-N	303.122	1.428	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccc(-n2ccnn2)cc1	768506026	YHIJZWZQSFCOSM-UHFFFAOYSA-N	319.328	1.901	50	20	DDGD	
Cc1nnc(-c2cccc(NCc3ccc(B(O)O)cc3)c2)n1C	864030661	OBJQTDXLSUXCHJ-UHFFFAOYSA-N	322.177	1.082	50	20	DDGD	
O=C(NNc1cccc(F)c1Cl)[C@@H]1CCc2nnnn2CC1	862508358	QZEFAOSVAPRIBG-MRVPVSSYSA-N	324.747	1.561	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2ncc3n2CCCC3)c1	867137296	HEWDAMOWLIKXQW-UHFFFAOYSA-N	316.752	1.896	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccc(F)cc1	763957507	AMVNDDVPFTXKBJ-UHFFFAOYSA-N	315.304	1.534	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1	867351823	JUGXSEFIFFSQLU-NNYUYHANSA-N	305.827	1.466	50	20	DDGD	
COC(=O)N[C@@H](CC(C)C)C(=O)NNc1nc2ccccc2[nH]1	768495657	NLFJUXRCYKJDDO-LBPRGKRZSA-N	319.365	1.777	50	20	DDGD	
Cc1[nH]c(C(=O)NNCC(F)(F)C(F)(F)F)c(C)c1C=O	863102379	GEKUOLLZFBXXNV-UHFFFAOYSA-N	313.226	1.876	50	20	DDGD	
O=C(NN=Cc1ccc(OC[C@H]2CCCO2)cc1)c1cn[nH]c1	863155977	GLXQFPZCUUFYJH-OAHLLOKOSA-N	314.345	1.731	50	20	DDGD	
CCc1cccnc1C(=O)NNC(=O)COc1ccccc1F	766553396	PBCZHGSVCINORX-UHFFFAOYSA-N	317.320	1.623	50	20	DDGD	
CN1CCN(C)[C@H](CNC(=O)[C@H](Br)C(C)(C)C)C1	768084045	ILUHVXYDIOAMDA-MNOVXSKESA-N	320.275	1.158	50	20	DDGD	
COCc1cc(C(=O)NNCC(F)(F)C(F)(F)F)no1	863096895	YCJNBPMINLZNMQ-UHFFFAOYSA-N	303.187	1.253	50	20	DDGD	
Cn1ccc2c(NC(=O)C(=O)NNC(=O)C3CCC3)cccc21	764338028	BJTCWMZSQFFWLA-UHFFFAOYSA-N	314.345	1.064	50	20	DDGD	
CN(CC(C)(CO)CO)C(=O)[C@H](Br)C(C)(C)C	768322397	PDJSYXJEGZDGSW-VIFPVBQESA-N	310.232	1.245	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H](C)n2cccc2)cc1	1118272308	TWUSZEYHOSKSEM-GFCCVEGCSA-N	301.346	1.908	50	20	DDGD	
O=C(Nc1nc2c(s1)CCCC2)c1cc(B(O)O)ccc1F	863869126	IHZTUBUDHHQKER-UHFFFAOYSA-N	320.154	1.093	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2C[C@H](C)[C@@H](O)C2)cc1	769126781	JEOIFXJDRKOMLS-XVDJGBJWSA-N	300.358	1.831	50	20	DDGD	
COCC[C@H](C)NC(=O)NNc1ccccc1S(C)(=O)=O	765728628	NKPATTJKVVNYHV-JTQLQIEISA-N	315.395	1.141	50	20	DDGD	
C[C@@H](Oc1cccnc1)C(=O)NNC(=S)Nc1ccccn1	768578034	KPTTVIFTZUYTGH-SNVBAGLBSA-N	317.374	1.262	50	20	DDGD	
CCC(CC)[C@@H](C)C(=O)NNC(=O)COc1ccccc1O	761685979	ZBBXJPHRQYCPNJ-LLVKDONJSA-N	308.378	1.991	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@](C)(C#N)CC)c1	874951635	GMQDXWXYIXGIRO-OAHLLOKOSA-N	300.387	1.925	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CCCC(C)=O)c1	874951014	ZWBXEXUKNCAWTC-UHFFFAOYSA-N	303.387	1.745	50	20	DDGD	
CCS(=O)(=O)Nc1cccc(C(=O)NNc2ccccn2)c1	1116486435	HKXOTOOUIRETOJ-UHFFFAOYSA-N	320.374	1.600	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1ccc2cccnn12	777795885	LIUBCBVHZSASAG-UHFFFAOYSA-N	312.304	1.477	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN[C@@H](c2ccc(OC)cc2)C1	870142508	KZOOJSZFBPWDEV-OBEJXRGXSA-N	315.373	1.612	50	20	DDGD	
Cn1ccc2ccc(NC(=O)NNC(=O)C3CCOCC3)cc21	878804593	WWKIJJPCIOYHBH-UHFFFAOYSA-N	316.361	1.758	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C(C)(C)Cc1ccccc1	772137931	SMTUQPRIGAGBAE-LBPRGKRZSA-N	320.389	1.744	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc3c(c2)CCN3C)n1	778947417	KYGDIOWCMLYGCM-UHFFFAOYSA-N	313.361	1.543	50	20	DDGD	
Cc1ccc(CC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)cn1	772030918	IFGQRJFEEZIWRS-LBPRGKRZSA-N	321.377	1.058	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)N[C@H]2CC23CCC3)c1	873257664	WEIHQEJPTKVCTJ-ZDUSSCGKSA-N	302.378	1.639	50	20	DDGD	
CCOc1ccc(O)c(C=NNC(=O)C[n+]2ccccc2)c1	1115814461	XBQZXUZABDKYBH-UHFFFAOYSA-O	300.338	1.229	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=C2CCCOCC2)n1	770591150	KDNFGXLQEMUWSE-UHFFFAOYSA-N	308.407	1.858	50	20	DDGD	
CCc1nc2c(s1)C(=NNC(=O)COCCOC)CCC2	872401576	AKZVLRBDSCNALO-UHFFFAOYSA-N	311.407	1.525	50	20	DDGD	
CNC(=O)Cc1ccccc1NC(=O)NNc1ncc(F)cn1	1116648096	RXTHRCAPORBJBO-UHFFFAOYSA-N	318.312	1.053	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNC(=O)c1ccccc1F	877941345	DMMBYIMOCWDUHN-YMTOWFKASA-N	316.336	1.676	50	20	DDGD	
Cc1cccc(NNC(=O)NCCN(C)C(=O)OC(C)(C)C)n1	875235855	QTWBMZRIIUXHQT-UHFFFAOYSA-N	323.397	1.883	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1nc2c(s1)CCCC2	779822338	BZLSUEKBNVOZTM-UHFFFAOYSA-N	310.379	1.218	50	20	DDGD	
CC[C@@H](C)[C@@H](NC(=O)NNC(=O)c1cnccn1)C(F)(F)F	772539184	WXAWVTRMZPLAHG-VXNVDRBHSA-N	319.287	1.398	50	20	DDGD	
CC(C)(C)[C@@H](NC(=O)NNC(=O)c1cnccn1)C(F)(F)F	775981602	RSJNHJWTHIUOSP-SECBINFHSA-N	319.287	1.398	50	20	DDGD	
CS(=O)(=O)CCCC(=O)NNc1ccc(Cl)cc1F	885108005	UNDQWTBKMDVXCD-UHFFFAOYSA-N	308.762	1.747	50	20	DDGD	
O=S(=O)(CCCCl)N1CCC(c2ccncn2)CC1	882256395	GUIXPFUBCVMIMM-UHFFFAOYSA-N	303.815	1.615	50	20	DDGD	
O=C(NNc1c(F)cccc1F)N[C@H]1CCCC12OCCO2	889514399	MMTURHIDNNZYQH-NSHDSACASA-N	313.304	1.887	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1	887142834	BZHKNJSXFAPYPA-INIZCTEOSA-N	324.384	1.478	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCC1CC1)c1ccc(OC)cc1	775676544	YZPZWQGZUKXZQY-CQSZACIVSA-N	305.378	1.929	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccccc1OC(F)F	779818339	ZFEBBZGQGREVFG-UHFFFAOYSA-N	301.249	1.094	50	20	DDGD	
CCCc1nc(C)c(NC(=O)NNC(=O)c2cc(C)[nH]n2)s1	777017738	ZIOLHEGOQXBCED-UHFFFAOYSA-N	322.394	1.902	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(C(F)(F)F)n(C)n1	1124051844	PQCAJVISIYDHSQ-UHFFFAOYSA-N	302.256	1.003	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cc2cc(F)ccc2o1	883063859	FUGIOZMLHNVIPF-UHFFFAOYSA-N	306.293	1.760	50	20	DDGD	
CCCc1ccc(NC(=O)C(=O)NN(C)C(=O)NCC)cc1	784915818	PBYVJLRBZIEYRC-UHFFFAOYSA-N	306.366	1.270	50	20	DDGD	
Cn1cc(C(=O)NNc2ccnc(F)c2)c(-c2cccnc2)n1	781363570	URCLQMPEYGCLFU-UHFFFAOYSA-N	312.308	1.773	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)C1CC1)c1ccccc1C(F)(F)F	782899005	FFZXUKSBQJMYDI-NSHDSACASA-N	316.279	1.950	50	20	DDGD	
Cn1ncnc1-c1cccc(OS(=O)(=O)CCCCl)c1	882125131	AAFHMNKJBHQMMQ-UHFFFAOYSA-N	315.782	1.820	50	20	DDGD	
C[C@H](O)c1cn(CC(=O)NNc2ccc(Cl)cc2F)nn1	885108083	VIGNSKQZQYZNNM-ZETCQYMHSA-N	313.720	1.267	50	20	DDGD	
O=C(CCNC(=O)c1ccc(F)cc1)NNc1ccnc(F)c1	781369055	XRZDYXBWIWUKBI-UHFFFAOYSA-N	320.299	1.623	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)C2CCOCC2)ccc1Cl	883067787	VYIDEAIJWCMLSS-UHFFFAOYSA-N	307.737	1.399	50	20	DDGD	
Cn1cc(C(=O)NN=C2CCOc3c(F)ccc(F)c32)cn1	783847159	VQMIEWYXRWUDSI-UHFFFAOYSA-N	306.272	1.615	50	20	DDGD	
C/C=C(\CC)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1	789240730	ZTTILWDHCFWCBA-KGVSQERTSA-N	315.329	1.219	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(Cn2cccn2)cc1	780711956	RLTVMLHGMKZEIQ-UHFFFAOYSA-N	301.350	1.238	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccnc2ccncc12	899995849	HYNUAUPHPMZDHR-UHFFFAOYSA-N	303.391	1.537	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc(-n3cccn3)ccn2)n1	794081625	LSHPZXJSILGGEQ-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
Cn1cc(C(=O)NNC(=S)NC(C)(C)C)c(C2CCC2)n1	899998610	ULMYZWQEJGRODK-UHFFFAOYSA-N	309.439	1.595	50	20	DDGD	
C=CCNC(=S)NNC(=O)/C=C(/C)Cc1ccccc1OC	798306345	YEDIYCWOZSTJPT-QXMHVHEDSA-N	319.430	1.865	50	20	DDGD	
O=C(CSc1ncccn1)NNC(=O)c1cccc(Cl)c1	790172431	OOSDQPQJSCVXSF-UHFFFAOYSA-N	322.777	1.683	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)N1CCN(C)CC1)CCC2	790174223	QBTYJQWPFXKDHG-UHFFFAOYSA-N	316.405	1.693	50	20	DDGD	
COC(=O)c1ccc(Cl)c(C=NNC(=O)c2cnccn2)c1	794854462	XFMZCAQVBTXZHA-UHFFFAOYSA-N	318.720	1.681	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1ccc(C#N)c(F)c1	790178848	MINLTFIJVRIFHK-UHFFFAOYSA-N	303.341	1.378	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)c1cccn1C)c1cccnc1	797797702	DUHKIAIYRWKHKI-AWEZNQCLSA-N	300.362	1.621	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1ccc(C(C)(C)O)cc1	790174430	OECWSWRVEXQBBQ-UHFFFAOYSA-N	318.421	1.595	50	20	DDGD	
O=C(NNC(=O)c1ncccn1)c1ccc(C(F)(F)F)cc1	791024590	ZPPUEOWLBLXPEK-UHFFFAOYSA-N	310.235	1.570	50	20	DDGD	
COc1cc(/C=C(\C#N)S(=O)(=O)N(C)C)cc(OC)c1O	794958852	RLRKJFFAGBKSSW-BJMVGYQFSA-N	312.347	1.165	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2cc(C#N)oc2C)c1	797788432	RPIZEDYLKXWGLH-UHFFFAOYSA-N	313.313	1.608	50	20	DDGD	
CCn1cc(C(=O)C(=O)NNc2cccc(F)c2[N+](=O)[O-])cn1	791070122	YOXJWEYQBIIRMV-UHFFFAOYSA-N	321.268	1.276	50	20	DDGD	
Cn1c(=O)cc(C(=O)NNc2ncc(F)cn2)c2ccccc21	1319570115	NTFVHWSHMCWBDR-UHFFFAOYSA-N	313.292	1.225	50	20	DDGD	
CC(C)NC(=S)NNC(=O)Cc1ccccc1OC(C)C	1320949458	MPJKAPWDIOEWPK-UHFFFAOYSA-N	309.435	1.920	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cnn3ccncc23)c1	1326825829	NXDHZUYIWFDEBN-UHFFFAOYSA-N	311.301	1.273	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC(=NNC(=O)C[N+](C)(C)C)CC1	1321099543	IXJDWVNZYYLGGG-UHFFFAOYSA-O	313.422	1.196	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCC[C@@H]1CCCCO1	1328142742	GSTDGWVWCROAJY-AVGNSLFASA-N	313.398	1.091	50	20	DDGD	
Cc1cc(C(=O)NNc2cccc(S(C)(=O)=O)c2)c(C)nn1	1324945089	JOWIIPWRNKYDQE-UHFFFAOYSA-N	320.374	1.254	50	20	DDGD	
COc1cccc(-c2cc(C(=O)NNc3ccn(C)n3)n[nH]2)c1	1256184136	KNBFYGLBRSZXOJ-UHFFFAOYSA-N	312.333	1.576	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc2nnc(C(F)F)n2c1	1330483999	OHSWEGMXICVDIA-UHFFFAOYSA-N	309.276	1.228	50	20	DDGD	
CO[C@H]1CCC[C@@H]1C(=O)NNC(=O)COc1ccc(F)cc1	1335443610	HEGRMXWGKFGTCL-STQMWFEESA-N	310.325	1.167	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNc1nc2ccccc2c(=O)n1C	1346823196	NSLGEZQEAXIOAU-DGCLKSJQSA-N	316.361	1.192	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)COc2ccccc2O)[nH]1	1340379184	KYGHYDXCFLZTCI-UHFFFAOYSA-N	303.318	1.177	50	20	DDGD	
COCc1nocc1C(=O)NNc1ccc(C)c(C(=O)OC)c1	1347988664	WKXVGKCZALGXLO-UHFFFAOYSA-N	319.317	1.673	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CC[C@@H](OC)C2)c1C	1347283195	MWJPOAPPXPXMGZ-NWDGAFQWSA-N	321.377	1.975	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NC/C=C/C2CC2)cc1	1348062933	XUMMJRNCDUFGPE-NSCUHMNNSA-N	304.350	1.997	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccccc2S(C)(=O)=O)c(O)n1	1340514719	LJTZNIKMONUPSR-UHFFFAOYSA-N	321.358	1.256	50	20	DDGD	
O=C(NNC(=S)NC1CCC1)c1cncn1-c1ccccc1	1343847161	RUKZJDRWVKDBCB-UHFFFAOYSA-N	315.402	1.534	50	20	DDGD	
COc1ccc([C@H](CNC(=O)CCl)N2CCOCC2)cc1	1341509979	VLFPAUCAKWIYIZ-AWEZNQCLSA-N	312.797	1.424	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(Cl)n1	1350168515	HLDSPHNPHWCTPQ-RKDXNWHRSA-N	312.757	1.621	50	20	DDGD	
CC[C@H](C)n1nccc1C(=O)NNc1nc(C)cc(OC)n1	1351512737	MLDFTJNRFQRZCQ-JTQLQIEISA-N	304.354	1.718	50	20	DDGD	
CC[C@H]1CCC[C@@H]1NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1604102056	XTLQEMYYKDSRQS-ONGXEEELSA-N	316.369	1.467	50	20	DDGD	
O=C(NN=Cc1c(F)cc(-c2nn[nH]n2)cc1F)c1ccoc1	1606850239	FQBYSGHXAWBBDL-UHFFFAOYSA-N	318.243	1.502	50	20	DDGD	
Cn1c(C=NNC(=O)c2ccc(Cl)nc2)ccc1C(=O)O	1600911406	GUQILZLIIVQOTK-UHFFFAOYSA-N	306.709	1.536	50	20	DDGD	
O=C(NNC(=O)C12CC(C(=O)O)(C1)C2)c1cc2c(s1)CCC2	1601553900	ZCBWYVXZMOKNOW-UHFFFAOYSA-N	320.370	1.253	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1csc(-c2ccsc2)n1	1602072273	ZMKOLXKBCFFVTI-UHFFFAOYSA-N	310.360	1.589	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cnn3c2NCCC3)cc1F	1602384435	MSQOQRJYAPCXAU-UHFFFAOYSA-N	319.296	1.293	50	20	DDGD	
COCc1nc(C(=O)NNc2ccc(C(=O)O)cc2OC)co1	1606973699	WKEYZWAMZAQMJZ-UHFFFAOYSA-N	321.289	1.285	50	20	DDGD	
CCC[C@@H](O)CC(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1609206038	IWIZSZMKXKSDIO-SECBINFHSA-N	324.772	1.514	50	20	DDGD	
CC[C@@](CNC(=O)NNC(=O)C(C)C)(C(=O)O)c1ccccc1	1605033383	JRDPMPURXIIHLF-INIZCTEOSA-N	321.377	1.405	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1ccn(C(C)(C)C(=O)O)n1	1605359977	GEKDDQRBAXKVLP-UHFFFAOYSA-N	318.337	1.555	50	20	DDGD	
CC(C)(C)[C@@H]1CC(=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)CCO1	1549903912	DLJPZANGWXDCNB-KFWWJZLASA-N	323.437	1.547	50	20	DDGD	
Cc1cc(C=NNC(=O)COCc2ccccc2)[nH]c1C(=O)O	1610457405	FJNRAWXIQYPXPF-UHFFFAOYSA-N	315.329	1.688	50	20	DDGD	
N#Cc1cccc(NC(=O)C(=O)NNc2cccc(C(=O)O)c2)c1	1610631314	WROFEHVQQJSFTL-UHFFFAOYSA-N	324.296	1.338	50	20	DDGD	
O=C(CCc1ccncc1)NNc1cccc(F)c1C(=O)O	1610661059	PIFSEBARUAFWAB-UHFFFAOYSA-N	303.293	1.995	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@H](C(C)C)N(C)C	1610287992	SLXKCLIDVUYQEF-ZDUSSCGKSA-N	309.366	1.423	50	20	DDGD	
C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](F)Cl)n[nH]1	1818044225	YLRALKVVCBBPOE-SKDRFNHKSA-N	312.732	1.569	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@]2(C)CCNC2)c(C)c1	1574156624	MPGXRIMAKRXMOV-OAHLLOKOSA-N	306.435	1.621	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H](N)CC2CC2)c1C	1579768347	VQWQDJNQEXLUMZ-LBPRGKRZSA-N	306.435	1.748	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2C[C@@H]3CC[C@H](C2)N3)cc(C#N)n1C	1579530043	QTBHNDYBWQPUDO-XLZGNQRXSA-N	309.373	1.075	50	20	DDGD	
CC1(C)C[C@@]1(C(=O)O)C(=O)NNC(=O)c1ccccc1Cl	1589220227	YUEHYEHISVENFT-AWEZNQCLSA-N	310.737	1.602	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1(C#N)CC1	1847866854	MVMIWQQTWKRJQC-AGIUHOORSA-N	323.824	1.899	50	20	DDGD	
CC(C)(C)CC(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2	1842627470	OZIJBXFEAMFXLU-LLVKDONJSA-N	316.829	1.226	50	20	DDGD	
COc1ccccc1OCC(=O)NNc1cccc(C(=O)O)c1	1599716937	QXWMQGLRTQYLLD-UHFFFAOYSA-N	316.313	1.916	50	20	DDGD	
N#Cc1ccc(NNC(=O)NCc2ccccc2C(=O)O)nc1	1594624082	POOQEZBCRLQVTC-UHFFFAOYSA-N	311.301	1.478	50	20	DDGD	
CC1(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](F)Cl)CCC1	1847226720	OBLYCTGGRAZAMJ-GARJFASQSA-N	302.777	1.913	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCc1ccc(C(=O)O)cn1	1590701732	PPSFMQPEXWNCCC-UHFFFAOYSA-N	320.798	1.464	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2ccccc2-c2nn[nH]n2)cc1	1591573124	NRHCCXNLZOUXGU-UHFFFAOYSA-N	322.328	1.639	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1F)c1ccc(C(=O)O)nc1	1594780589	YJYCLHZAWQDLKS-UHFFFAOYSA-N	311.219	1.954	50	20	DDGD	
CCCCc1ccc(NC(=S)NNC(=O)NCC(=O)O)cc1	1595796566	OIYICJANWVZNQV-UHFFFAOYSA-N	324.406	1.614	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)N[C@H]1C[C@@H](C(=O)O)C1	1594780060	GGALDXMIZQGENZ-KNVOCYPGSA-N	312.257	1.223	50	20	DDGD	
O=C(O)[C@]1(C(=O)NNc2c(F)cccc2Cl)CCCO1	1594864498	FQAOPNPTSXYCCF-GFCCVEGCSA-N	302.689	1.556	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2ccc(C(=O)O)nc2)cs1	1776028993	DKWSPXHZJSYRNM-UHFFFAOYSA-N	304.331	1.238	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1ccccc1OCCC(=O)O	1777033786	RUIWOWUZQMSTCV-FMIVXFBMSA-N	324.358	1.296	50	20	DDGD	
CCC(=O)N1CCO[C@@]2(CCN(C(=O)C(Cl)Cl)C2)C1	1783947685	XRFYGELBDFLROU-LBPRGKRZSA-N	309.193	1.030	50	20	DDGD	
C[Si](C)(C)OCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC#N)C2	1798626478	JBLKTPDTMXWFIT-CLLJXQQHSA-N	323.469	1.390	50	20	DDGD	
COCc1nc2n(n1)C[C@@H](NC(=O)NNc1ccccc1)CC2	160862837	FHVAZLDVVDVOJT-LBPRGKRZSA-N	316.365	1.066	50	20	DDGD	
N#C/C(=C/c1ccc2c(c1)OCCO2)C(=O)NC[C@H]1CCCO1	3477264	PXUQZWMBFKAOOE-YLHGKKIISA-N	314.341	1.660	50	20	DDGD	
COCCC1(C(=O)NNC(=O)Cc2cccnc2)CCCC1	153476731	PRHYFYDDMLWMPO-UHFFFAOYSA-N	305.378	1.368	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2ccncc2F)cc1	155602799	BZBPHOGIXVHCMN-UHFFFAOYSA-N	318.308	1.102	50	20	DDGD	
O=C(NNC(=O)[C@]1(O)CCSC1)c1ccc(Cl)cc1F	157128644	GSVPODFBZJNDKM-LBPRGKRZSA-N	318.757	1.108	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc2c(cc1F)NC(=O)CC2	156231001	HMJGEUNCVRSCIW-UHFFFAOYSA-N	322.365	1.005	50	20	DDGD	
CCN(CC(=O)NNC(=O)Cc1ccccc1C)C[C@@H](C)C#N	155293083	GJJQERARPYYYPW-ZDUSSCGKSA-N	316.405	1.167	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccc(F)c(C)c2)c1O	103520834	MKRKVHLCJRDGSK-UHFFFAOYSA-N	318.304	1.923	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1cc(F)c(F)cc1F	105590724	GVFDAWIMFJFCEI-UHFFFAOYSA-N	310.297	1.460	50	20	DDGD	
Cc1ccc(NNC(=O)NCC(C)(C)N2CCC[C@@H](C)C2)nn1	106265908	DREMFSRAIOCCAK-GFCCVEGCSA-N	320.441	1.922	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](C)n1cnc2ccccc21	110758267	WGXKNDQGELHCOY-SNVBAGLBSA-N	312.333	1.090	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(C(F)(F)F)n1)n1cncn1	172411441	AGMDUZWOOVTZMJ-ZETCQYMHSA-N	300.244	1.396	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2ccc(F)cc2F)n1	52804843	SARZAYKXRKUFPK-UHFFFAOYSA-N	323.303	1.631	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1	106417152	FFXNQGBNCKUZKJ-QWHCGFSZSA-N	302.309	1.042	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)[C@H](C)c1ccccc1	174890684	OFJYSGJMXVQSGW-NWDGAFQWSA-N	315.377	1.556	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1cnn(C)c1C	119782712	LMCOTXQDDWFBID-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
CC1(C)CCN(CCI)CC[S@]1=O	832026324	UNVMHYVJOGHPLC-CYBMUJFWSA-N	315.220	1.654	50	20	DDGD	
Cn1cc(CCNC(=O)NNc2ccc(C(C)(C)C)nn2)cn1	118473361	YPRUEQVHZRIXLY-UHFFFAOYSA-N	317.397	1.376	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CCOc2ccccc2)c1	61481761	NRFLSRCHGRDKGI-UHFFFAOYSA-N	314.341	1.925	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@H]1C[C@@]12CCc1ccccc12	175781534	JXVMDOCMJLUGCP-VQIMIIECSA-N	321.380	1.676	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCc2nc(C(C)C)no2)n1	69119299	NNHYGFCFDNBORV-UHFFFAOYSA-N	319.369	1.469	50	20	DDGD	
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NNC(=O)N(C)C	172907857	KTASSYFALWQEKE-UHFFFAOYSA-N	321.768	1.750	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F)[C@@H]1CCCO1	112868759	RIBJEDYDPJYGCN-WZRBSPASSA-N	310.300	1.395	50	20	DDGD	
COCCC(=O)NNC(=O)c1ccc(F)cc1Br	171386990	SFZOLWCIIGLXGX-UHFFFAOYSA-N	319.130	1.386	50	20	DDGD	
CCCNC(=O)CNC(=O)NNC(=O)[C@@H](CC)c1ccccc1	111438258	SJEVKPPINZTLCK-ZDUSSCGKSA-N	320.393	1.037	50	20	DDGD	
CCNC(=O)NNC(=S)Nc1ccc(OC(F)F)cc1	64937085	POWRWJFGQQUNNZ-UHFFFAOYSA-N	304.322	1.809	50	20	DDGD	
Cn1cc(C[C@@H](CO)NC(=O)c2cccc(CCl)c2)cn1	1358319840	FZZLVZZOERYMRB-AWEZNQCLSA-N	307.781	1.492	50	20	DDGD	
O=S(=O)(N[C@H]1CCNC1)c1ccc(CCCCl)cc1	123122247	BFQLNCCTZDPXCV-LBPRGKRZSA-N	302.827	1.498	50	20	DDGD	
COC(=O)[C@@H](NS(=O)(=O)CBr)c1ccccc1	127419099	LJNIWLUHYKUICP-VIFPVBQESA-N	322.180	1.173	50	20	DDGD	
CC(=O)CCCCCCC(=O)NNC(=O)Cc1ccncc1	128602725	HFCKFPAGFBUSOT-UHFFFAOYSA-N	305.378	1.701	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H]2C[C@@]2(C)C(C)C)c1O	186525127	CLCMXCSHWGAOBE-ZBEGNZNMSA-N	306.362	1.844	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=O)CN(C)C)cc1[N+](=O)[O-]	189698385	BRAXPAYQLQPOSS-UHFFFAOYSA-N	308.338	1.041	50	20	DDGD	
COCCC[C@H](C)C(=O)NNC(=O)Cc1cn2ccccc2n1	182800740	LOKOJYXIASQTGK-LBPRGKRZSA-N	318.377	1.087	50	20	DDGD	
CC(C)c1csc(CNC(=O)NNC(=O)[C@@H]2CCCO2)n1	121897638	RVBJHTRZUSDRPJ-JTQLQIEISA-N	312.395	1.276	50	20	DDGD	
CN(Cc1ccccc1)C(=O)CNC(=O)NNc1ccccn1	79647176	KOSKFICTFDRLRK-UHFFFAOYSA-N	313.361	1.366	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNC(=O)COc1cccc(C)c1	182648968	NBGICVCMQZSTCB-CYBMUJFWSA-N	308.378	1.584	50	20	DDGD	
O=C(/C=C/c1cc2ccccc2o1)NNC(=O)[C@H]1COCCO1	73986000	HDIYBMKOFYQMTP-VBROQKIQSA-N	316.313	1.009	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc3ccccc3o2)cc(O)n1	134072141	AJCATGTUJDCITA-UHFFFAOYSA-N	311.297	1.917	50	20	DDGD	
C#C[C@H](C)NC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	185964468	DNRZGXIPICEODR-QMMMGPOBSA-N	312.276	1.645	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NC[C@H]1CCCN1C	139658234	NDFDNUQVIWDXPY-GFCCVEGCSA-N	305.382	1.425	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)C1(O)CCCCC1	86583919	HYXYLTUYXHLWMO-UHFFFAOYSA-N	315.373	1.484	50	20	DDGD	
Cc1ccn(CC(=O)NNC(=O)Nc2ccccc2C)c(=O)c1	193021379	BWFNXLDJZBIYKC-UHFFFAOYSA-N	314.345	1.318	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1cc(Cl)ccc1Cl	192571280	NJFXTSUBOUGKTJ-UHFFFAOYSA-N	321.160	1.417	50	20	DDGD	
Cc1[nH]nc2ncc(C(=O)NNc3ccc([N+](=O)[O-])cc3)cc12	133899824	QSSQLGHMYHEWJS-UHFFFAOYSA-N	312.289	1.931	50	20	DDGD	
CCc1nn(C)c(CC)c1CC(=O)NNc1nc(C)cc(C)n1	191687341	UDNFYKJJONPYCA-UHFFFAOYSA-N	316.409	1.638	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@@H]1CCO[C@@H](C2CC2)C1	131042204	HWSYVOIRHWAFHZ-NXEZZACHSA-N	311.773	1.714	50	20	DDGD	
Cn1ccnc1SCc1ccc(C(=O)NNC(=O)C2CC2)o1	47427668	XJDLVMYTGFVYOO-UHFFFAOYSA-N	320.374	1.476	50	20	DDGD	
Cn1cc(CC(=O)NNc2ccc(-c3ccccc3)nn2)cn1	85654163	YZLIJLZAMVOTTG-UHFFFAOYSA-N	308.345	1.563	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCOc1cc(C)cc(C)c1	44744639	GRLDEAPEQQSLGJ-UHFFFAOYSA-N	307.419	1.754	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@@H]1CCN(c2ncccc2F)C1	255458776	DCVGAYXMHIPNMO-UCQJPZFISA-N	304.325	1.360	50	20	DDGD	
C[C@](O)(Cc1ccccc1)C(=O)NNC(=O)NCc1ccco1	266787137	AQFATCYTWCYHNP-INIZCTEOSA-N	317.345	1.104	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)N[C@H]1CCC[C@H]1C	264454471	WGUFDHXNDOOLNY-NEPJUHHUSA-N	321.377	1.593	50	20	DDGD	
CCC(=O)N1CC[C@H](NC(=O)NNc2ccc(Cl)nc2)C1	268512249	DMKZDKXQXIGRSD-JTQLQIEISA-N	311.773	1.372	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H]1CCCC[C@@H]1OC	266773990	QLKBOOVHKCPGSJ-JSGCOSHPSA-N	321.377	1.597	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)[C@@H](C)OCCOC)c1ccccc1	267155424	IEMZUPDWOPBAIL-TZMCWYRMSA-N	323.393	1.520	50	20	DDGD	
CCc1[nH]c(C(=O)NNC(=O)C2CCC2)c(C)c1C(=O)OC	264802582	UITFSKKPSGNLLQ-UHFFFAOYSA-N	307.350	1.233	50	20	DDGD	
NNC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1	360202536	IWQXLJVHNLBWQT-UHFFFAOYSA-N	315.295	1.548	50	20	DDGD	
CCOC[C@@H](NC(=O)NNC(=O)c1ccccc1F)C(C)C	276421848	ALWNWTXVCBQMTI-CYBMUJFWSA-N	311.357	1.831	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNC(=O)c1cccc(C)n1	279786649	JSIDYGOLZIBWEA-UHFFFAOYSA-N	314.345	1.567	50	20	DDGD	
COc1cc(OC)cc(N(C)S(=O)(=O)CBr)c1	276199014	YITVSTMDOGYXHN-UHFFFAOYSA-N	324.196	1.822	50	20	DDGD	
Cc1ccc(-n2nc(C(=O)NNC(=O)NC3CC3)cc2C)cc1	271942300	UMEDZMBNSCMOOR-UHFFFAOYSA-N	313.361	1.596	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H](C)c2c(C)n[nH]c2C)n1	279765271	GEEUIOJGKIWOBB-VIFPVBQESA-N	301.350	1.295	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)c1ccccn1	274314989	NKMDIXFQRDXCGM-OCCSQVGLSA-N	305.378	1.828	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)c2ccccc2F)c(C2CC2)n1	281061997	RTXPYAVUIFPHBD-UHFFFAOYSA-N	314.320	1.876	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)n1	374488636	OXQMWODKPDJCAV-WFASDCNBSA-N	321.381	1.058	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)COCc1ccccc1	281865651	KMWULOHXJUESPO-YWPYICTPSA-N	306.362	1.164	50	20	DDGD	
COCCN(C)NC(=O)COc1cccc(Br)c1	288485206	LKZUZRLTIJZSQP-UHFFFAOYSA-N	317.183	1.437	50	20	DDGD	
CN1CCOc2ccc(C(=O)NNc3cccc(F)n3)cc21	376262495	RCUVYHQIYHZBTI-UHFFFAOYSA-N	302.309	1.806	50	20	DDGD	
CCCN(NC(=O)c1ccc(=O)n(C)c1)C(=O)OC(C)(C)C	286568500	RIULBLFCKZGAGP-UHFFFAOYSA-N	309.366	1.677	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNc1ccc2c(O)nccc2c1	287398224	JVPUKCJJKVJGAM-NSHDSACASA-N	304.350	1.992	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc2sc(N(C)C)nc2s1	286428949	QWBVYXVQFKAXFC-UHFFFAOYSA-N	314.392	1.767	50	20	DDGD	
O=C(NN=C1CCC[C@H]2C[C@@H]12)c1csc(N2CCOCC2)n1	800807736	DSPYVCNKIFJUMW-WDEREUQCSA-N	320.418	1.886	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cnn(-c2ccc(F)cc2)c1C	804121961	SKGJKQNTGLJHKG-UHFFFAOYSA-N	306.297	1.663	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)/C=C/c2cnn(C)c2)cc1	802060092	FCOOJEQFSSGSKP-FPYGCLRLSA-N	315.333	1.295	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)NC[C@@H](C)Oc2ccccc2)O1	297322208	RNLDJUZIDTUCIC-SCRDCRAPSA-N	321.377	1.352	50	20	DDGD	
CCCCN(C)C[C@H](C)NC(=O)NNC(=O)c1ccccc1F	290990478	RQJBSSNLLYABCE-LBPRGKRZSA-N	324.400	1.890	50	20	DDGD	
COc1ccccc1C(=O)C(=O)NN(C)C(=O)OC(C)(C)C	297400559	WZRVZFQLUSSRGU-UHFFFAOYSA-N	308.334	1.776	50	20	DDGD	
O=C(CCSc1ccc2c(c1)OCCO2)NNc1nnc[nH]1	293936548	NWHSAKMBZGQJFF-UHFFFAOYSA-N	321.362	1.201	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NC[C@@H]1C[C@H]1C	298734905	MQEFAEOCHRSVTF-VWYCJHECSA-N	309.341	1.579	50	20	DDGD	
CCn1cc(-c2n[nH]cc2C(=O)NNc2cccc(F)n2)cn1	804770064	USJVXIYOOJFYIN-UHFFFAOYSA-N	315.312	1.584	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1csc(-c2cnccn2)n1	804765810	YCJFCMAAUBJFCT-UHFFFAOYSA-N	316.321	1.891	50	20	DDGD	
CNc1ccc(C(=O)NNc2ccc(C(F)(F)F)nn2)cn1	802862941	DSNNXJSGQRTNEJ-UHFFFAOYSA-N	312.255	1.689	50	20	DDGD	
CCCC1(C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)CC1	801110615	DOJBKWXERGYMLC-UHFFFAOYSA-N	303.362	1.661	50	20	DDGD	
O=C(NNc1ncncc1Cl)Nc1ccc2c(c1)C(=O)OC2	808895410	KZLXLPDYYXPHGW-UHFFFAOYSA-N	319.708	1.949	50	20	DDGD	
N#C/C(=C/c1ccc(O)c(C(=O)O)c1)C(=O)C1CCOCC1	809156475	HXZCLFQUDUYMEY-GHXNOFRVSA-N	301.298	1.993	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)[C@H](C)OC[C@@H]2CCCO2)c1	293919563	LRKLVJNAFOXTQE-NHYWBVRUSA-N	321.377	1.672	50	20	DDGD	
CCCSCC(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	801323562	OJNHEFWBHLDRSE-UHFFFAOYSA-N	324.402	1.442	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1C1CC1	292053819	BUAMORJDYHSCEZ-AWEZNQCLSA-N	304.346	1.513	50	20	DDGD	
N#Cc1ccc(NCC(=O)NNC(=O)Nc2ccccc2)cc1	801992510	QPAPNHCJYMCBIL-UHFFFAOYSA-N	309.329	1.823	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)c1cccc(O)n1	802591109	NQKACNRQXDEKOF-UHFFFAOYSA-N	309.123	1.702	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@@H]1CCN1Cc1ccccc1	716220415	HQRWOGGJBGSHLN-AWEZNQCLSA-N	316.854	1.809	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CCc1ccnc(C)n1	815952386	JODSQECKWRPQMG-UHFFFAOYSA-N	314.345	1.648	50	20	DDGD	
C[C@@H](C=NNC(=O)[C@H]1CCS(=O)(=O)C1)C1CCCCC1	814782408	USUVQCYTSHEWME-AAEUAGOBSA-N	300.424	1.740	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)N=c2cc[nH]cc2)[C@H](n2cncn2)C1	815000471	KFVRGGWTIMWRNM-SMDDNHRTSA-N	313.365	1.634	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)c1cc2ccccc2o1)C1CCC1	813472298	JAAIEOCIKAZZNE-MRXNPFEDSA-N	302.330	1.745	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@](C)(O)c1ccc(Cl)cc1	814718004	FKXJHZUPIPFXJD-ZDUSSCGKSA-N	313.810	1.229	50	20	DDGD	
CCn1nc(C)c(CNC(=O)/C(C#N)=C/c2ccc(F)cc2)n1	819592997	GZFWDCACSOCNDH-MDWZMJQESA-N	313.336	1.969	50	20	DDGD	
O=C(NNc1ncncc1F)[C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2	817080824	GDGMLQGTOKALEA-FNCVBFRFSA-N	320.246	1.415	50	20	DDGD	
COC(=O)C(C)(C)CC=NNC(=O)Cc1cn2ccccc2n1	814864216	UUACYXVORAUIEU-UHFFFAOYSA-N	316.361	1.568	50	20	DDGD	
CCN(CCO)NC(=O)C1(N(C)C(=O)OC(C)(C)C)CCC1	823889409	VPHDWMXLTSNQCS-UHFFFAOYSA-N	315.414	1.121	50	20	DDGD	
CC(Cc1ccsc1)=NNC(=O)[C@H]1CCS(=O)(=O)C1	729635266	KYKPVGCCNYIGNI-NSHDSACASA-N	300.405	1.217	50	20	DDGD	
CN(NC(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1)C1CC1	496870396	IBYONAMZJOBHLN-AWEZNQCLSA-N	317.389	1.771	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCc2nc(N)ncc2C1	491087658	XMUQUUIGMBCVMK-KPKJPENVSA-N	323.331	1.690	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCc2nnc(O)cc2C1	491162179	QWZZXNRQRFUXCD-KPKJPENVSA-N	322.324	1.380	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)CC(F)(F)F)C1CCCC1	823305364	JBHZYCXNGVALEM-SECBINFHSA-N	311.304	1.474	50	20	DDGD	
CC[C@@H](c1ccccc1OC)N(C)CC(=O)NNC(=O)C(C)C	829906038	AVVXLQSFOGMVRY-AWEZNQCLSA-N	321.421	1.882	50	20	DDGD	
O=C(/C=C/c1ccc(O)cc1)NNc1ccc(-n2ccnc2)nn1	493266821	TWBGIRSGQMGPPB-FPYGCLRLSA-N	322.328	1.524	50	20	DDGD	
Cn1cc(-c2nn[nH]n2)cc1C(=O)NNc1cccnc1Cl	822645820	QSRODTUJDSHMDP-UHFFFAOYSA-N	318.728	1.011	50	20	DDGD	
CN(NS(=O)(=O)c1ccccc1F)C(=O)OC(C)(C)C	495893657	MWHQSWSTSBHVKZ-UHFFFAOYSA-N	304.343	1.886	50	20	DDGD	
CCCc1ccc(Cl)c(S(=O)(=O)NNC(=O)OC)c1	495599691	ARDGDPLJRFNEBE-UHFFFAOYSA-N	306.771	1.842	50	20	DDGD	
CCNC(=O)NNC(=O)CCN(C(=O)OC(C)(C)C)C1CC1	496235537	SGQHATXGBLWTJZ-UHFFFAOYSA-N	314.386	1.126	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccc(OCC(=O)OC)c1	494572101	KQSGMJAMWXYNLD-UHFFFAOYSA-N	311.294	1.021	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@]1(C(=O)OC(C)(C)C)CC=CCC1	823912332	CHJIADPUUTVWHS-LRDDRELGSA-N	312.410	1.398	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@H](c2ccc(F)cc2)C1	828030239	CZGHXICVBHXCDG-ZDUSSCGKSA-N	307.369	1.418	50	20	DDGD	
CCN(CCO)NC(=O)[C@H](C)Oc1ccccc1C(F)(F)F	823855778	GATIGCGKRPHSSJ-JTQLQIEISA-N	320.311	1.818	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC[C@@H](C(C)(C)C)C1	827274417	OEISBCVMYRKQIT-YNEHKIRRSA-N	311.426	1.910	50	20	DDGD	
O=C(c1ccccc1Oc1cccnc1)N1CC[C@@H](B(O)O)C1	585069198	JEZCFNUJLQTVKY-GFCCVEGCSA-N	312.134	1.563	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccccc1	825582863	GQMWCMXWJRZCMM-YRGRVCCFSA-N	305.378	1.546	50	20	DDGD	
CCOC(=O)NNC(=O)c1cccc(F)c1Br	495959102	YWIKPXSYLKWNFB-UHFFFAOYSA-N	305.103	1.979	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCCc2cncn2C)cc(C#N)n1C	490839796	FCUUDQHNVBEIHZ-NSIKDUERSA-N	322.372	1.205	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@H]2CCCCO2)c(C2CCC2)n1	820998846	GLPRJPNKGFGUSU-GFCCVEGCSA-N	306.366	1.018	50	20	DDGD	
O=C(N[C@H]1C[C@H]1C1CCCCC1)c1cc(B(O)O)ccc1F	584950410	KDTASZIOKLEFNR-WFASDCNBSA-N	305.158	1.204	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Cn1nc(C(F)F)cc1C(F)F	820757784	LSUGIAPCNZYNAC-UHFFFAOYSA-N	322.262	1.706	50	20	DDGD	
Cc1noc(C)c1C[C@H](C)NC(=O)NNC(=O)CC(F)(F)F	739050092	SQNADURAJSUUBA-LURJTMIESA-N	322.287	1.505	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)NCc2cocn2)cc1	730910417	IFZSMJUZJKIEMB-UHFFFAOYSA-N	320.374	1.606	50	20	DDGD	
CCCSCC(C)=NNC(=O)c1ccc(-n2cnnn2)cc1	901154094	JQIQTXMBMXJEDF-UHFFFAOYSA-N	318.406	1.911	50	20	DDGD	
Cc1nnc(CNC(=O)[C@]2(C)C[C@H]2Br)n1C1CC1	907240991	VRIUIOJFRCDUIV-BXKDBHETSA-N	313.199	1.711	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)C1=Cc2ccccc2OCC1	495555061	DYRFJCXLCAYMLW-UHFFFAOYSA-N	312.347	1.391	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNC(=O)CSc1ccccc1O	491763629	ALPGSZGHKODCAY-LLVKDONJSA-N	321.402	1.617	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)c2ncon2)[C@H]1Oc1ccccc1	901289825	MFYRYGLUZQSIAV-QWHCGFSZSA-N	316.317	1.412	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)C(C)C)ccnc1Br	836680089	ZMYJFPZFNALSKI-UHFFFAOYSA-N	315.171	1.961	50	20	DDGD	
CN1CCc2c(NCc3ccc(B(O)O)cc3F)cccc21	585033679	IZVIIRKUYMNQOW-UHFFFAOYSA-N	300.142	1.110	50	20	DDGD	
Cc1nc(-c2cccs2)sc1C(=O)N1CC[C@@H](B(O)O)C1	585069397	LOTKAJFRGVXYRV-SECBINFHSA-N	322.220	1.869	50	20	DDGD	
O=S(=O)(CCl)N1CCO[C@@]2(CCc3ccccc32)C1	830940170	NGRCUYZDSKYXQE-ZDUSSCGKSA-N	301.795	1.686	50	20	DDGD	
O=C(COc1ccccc1F)NN[C@H](C(=O)O)c1ccccc1	833114717	JFXXEAAARJLWME-HNNXBMFYSA-N	318.304	1.651	50	20	DDGD	
CC[C@@H](C)n1ncc(NCc2ccc(B(O)O)cc2F)c1C	585037946	OJMMYAMWENOIEV-SNVBAGLBSA-N	305.162	1.594	50	20	DDGD	
C[C@]1(C(=O)Nc2cccc(-n3cnnn3)c2)C[C@@H]1Br	905548350	UJJHMGFRTRXDEY-JQWIXIFHSA-N	322.166	1.774	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1c[nH]nc1C(=O)O	902236280	RAJSYMSYHCZIQO-ZETCQYMHSA-N	304.144	1.856	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cn1	735578952	CBNMHDVGTMFIBW-MBNYWOFBSA-N	319.409	1.723	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC[C@]1(C)CCOC1)c1ccccc1	733351475	GAQZZNPYNXCSPG-YOEHRIQHSA-N	319.405	1.937	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	739461973	MOKYPBOIXNUOAL-UHFFFAOYSA-N	304.262	1.220	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NN=C1CCCS(=O)(=O)C1	731924860	LXAHLSUVTURWSX-UHFFFAOYSA-N	314.794	1.563	50	20	DDGD	
C[C@@H](NCc1ccc(B(O)O)o1)c1ccccc1OC(F)F	585014784	DLSXXLTVCPYALJ-SECBINFHSA-N	311.093	1.412	50	20	DDGD	
CC[C@@H](C)C(=O)NN=Cc1c(OC)nc(N)nc1N1CCCC1	915974711	NUROWSXNLVNEKK-SNVBAGLBSA-N	320.397	1.164	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NC[C@@H](Cc1ccccc1)N(C)C	730969920	RWOSFISBXDGEHX-RTYFKUQISA-N	301.390	1.719	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)NC[C@H]2CC2(C)C)cc1	732894058	UHBXSFRFNILBBX-LLVKDONJSA-N	321.377	1.451	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1ccc2nccn2c1	836416481	AGXFZSZZYCTMKQ-LLVKDONJSA-N	303.322	1.056	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NC[C@@H]1CC[C@H](C)O1	838743864	HIKAOACKCNRQSX-AAEUAGOBSA-N	321.377	1.136	50	20	DDGD	
CCSCC[C@H](C)NC(=O)NNC(=O)[C@@H]1CCCCO1	836334084	KFBFDJHKJPZFAN-QWRGUYRKSA-N	303.428	1.418	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@@H](CC(C)C)NC(=O)O	830559181	IDVSYKMJOUPUFZ-CYBMUJFWSA-N	321.377	1.367	50	20	DDGD	
CC[C@@H](C(=O)NNc1cnnc2ccccc12)N1CCCC1=O	743410721	ORLDIFZDOOZXPV-AWEZNQCLSA-N	313.361	1.474	50	20	DDGD	
Cc1csc(CC(=O)NN=C2COc3cc(O)ccc32)n1	915957398	XHNJECYGAXKKEH-UHFFFAOYSA-N	303.343	1.613	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1C(=O)Nc2ccc(C)cc21	916355416	IWBGIHWZORSFPG-UHFFFAOYSA-N	302.378	1.499	50	20	DDGD	
COC(=O)NNC(=O)CCc1c(C)nc2c(c(C)nn2C)c1C	842471099	ATWMHKZXRHNMFT-UHFFFAOYSA-N	319.365	1.213	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCc1nncn1C1CC1	746229141	WWOLAERHQNXENG-UHFFFAOYSA-N	322.800	1.595	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2ncnc3ccsc23)CCN1	841986978	OHUODOVECHFUOC-BDAKNGLRSA-N	306.395	1.458	50	20	DDGD	
C=CCOCCNC(=O)NNc1ncc(Br)cn1	847347502	CAXZZWVXLLCSAI-UHFFFAOYSA-N	316.159	1.068	50	20	DDGD	
COC[C@]1(CNC(=O)NNc2c(F)cccc2F)CCCN1	841998984	XOBZATMEDBBMHF-CQSZACIVSA-N	314.336	1.360	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)c2ccccc2F)CCCC1	843518752	YIBOSFFVQBYISD-UHFFFAOYSA-N	322.336	1.710	50	20	DDGD	
CC(=NNC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(N)cc1	916543040	FRMQFUSXISWQRD-UHFFFAOYSA-N	321.344	1.399	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CSc1ccc(C(F)(F)F)cn1	910178685	PJFXZZBEIBDHES-MRVPVSSYSA-N	323.340	1.536	50	20	DDGD	
CCn1c(NNC(=O)C[C@H](C)OC)nc2ccccc2c1=O	749567578	PPGWOZFNRNZRHJ-JTQLQIEISA-N	304.350	1.285	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(C(C)(C)C#N)cc1	843656360	PGDYPJQTWKDHHS-SMDDNHRTSA-N	315.373	1.674	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1[N+](=O)[O-]	843646693	LBSGXDSPLCMSSR-VHSXEESVSA-N	307.306	1.089	50	20	DDGD	
NC[C@H](NC(=O)NNc1ncc(F)cc1F)C1CCCCC1	841940147	YZHCRHAEDPWJCA-LBPRGKRZSA-N	313.352	1.894	50	20	DDGD	
O=C(NNc1ccccc1Cl)[C@H]1CCCS(=O)(=O)C1	845854771	OIUJMKGRYVUWEW-VIFPVBQESA-N	302.783	1.608	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NC[C@H]2CCCN2C)cc1	844922581	AYDYLBPXTMNRSE-CQSZACIVSA-N	320.393	1.122	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNc1ccc(CC(=O)OC)cc1	846375783	KBOPPCKETHRNRO-XHDPSFHLSA-N	308.378	1.906	50	20	DDGD	
O=C(NNc1cccc(C(F)(F)F)n1)[C@H]1CCCS1(=O)=O	848371090	HESYZBQNWMIJHT-SSDOTTSWSA-N	323.296	1.121	50	20	DDGD	
CCCC(C)=NNC(=O)Cc1csc(N2CCOCC2)n1	917566692	WVHRNIYPCLLIDO-UHFFFAOYSA-N	310.423	1.814	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@H](c1ccccc1)n1cccn1	748718920	RVMLHUBZYXWXJT-AWEZNQCLSA-N	313.361	1.213	50	20	DDGD	
CN(NC(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)C(N)=O	845904784	IHMDVYQIDKXWGQ-VHSXEESVSA-N	314.386	1.112	50	20	DDGD	
C[C@@H](Cn1cccn1)NC(=O)NNC(=O)c1cccc(Cl)c1	916464853	UTIVVAIEFFHSSF-JTQLQIEISA-N	321.768	1.569	50	20	DDGD	
Cn1ncnc1C=NNC(=O)c1cc2c(s1)CCCCC2	842522307	WZMSLERSWAHFKE-UHFFFAOYSA-N	303.391	1.909	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NC2CCN(C)CC2)cc1	844853948	HJLNEPJLHNUEHK-UHFFFAOYSA-N	320.393	1.122	50	20	DDGD	
N#Cc1ccc(C(=O)NN=C(CO)c2ccc(F)cc2F)cc1	749608479	NNYYEQHJPGCTLC-UHFFFAOYSA-N	315.279	1.963	50	20	DDGD	
COCC1(CC(=O)NNC(=O)c2c[nH]c3ccccc23)CC1	843756652	NPCHIYCONHLLOH-UHFFFAOYSA-N	301.346	1.746	50	20	DDGD	
CCN1CCC(=NNC(=O)c2ccc3c(c2)OCCO3)[C@H](C)C1	741458457	MKZHSBZJDXTRRU-GFCCVEGCSA-N	317.389	1.905	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@H]1Cc1ccccc1	744385442	LENVNBJFGSRYPK-HNNXBMFYSA-N	317.433	1.887	50	20	DDGD	
Cc1ccc(-c2nn(C)cc2C=NNC(=O)[C@H]2CCO[C@@H]2C)o1	842549536	NUDZWZFDYFVSDN-YPMHNXCESA-N	316.361	1.864	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(C#N)c(Cl)c1	843654308	FSZFTBITOBFDLX-GZMMTYOYSA-N	307.737	1.398	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)C1CC2(CCC2)C1	843558964	MWLSXUBQRBZHEJ-UHFFFAOYSA-N	312.373	1.605	50	20	DDGD	
C#C[C@H](NC(=O)NNc1c(F)cc(F)cc1F)[C@H]1CCCO1	922047681	ZLPBQARXKCEVNS-NWDGAFQWSA-N	313.279	1.911	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H](CC)N(C)C(=O)OC(C)(C)C	854164071	RCUYPGCUVNUKSN-SECBINFHSA-N	303.359	1.409	50	20	DDGD	
CCn1nccc1CNC(=O)NC[C@@]1(C)C[C@H]1Br	856868247	KTAGZMRZZHQZTE-ZYHUDNBSSA-N	315.215	1.876	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cn[nH]c1)[C@@H](C)c1ccccc1	858266713	LRKWAPJHJYEFMN-MNOVXSKESA-N	301.350	1.546	50	20	DDGD	
CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NCC(Cl)Cl	854451120	QYNPVNWFSWLLET-SECBINFHSA-N	317.238	1.013	50	20	DDGD	
CC(=O)N[C@@H](CCC(C)C)C(=O)NN(C)C(=O)OC(C)(C)C	854919303	BQTPOVUFNBFQQF-LBPRGKRZSA-N	315.414	1.825	50	20	DDGD	
COC(=O)c1cc(C(=O)NC[C@]2(C)C[C@@H]2Br)on1	857393940	JVBHSUGMANYIAV-KWQFWETISA-N	317.139	1.365	50	20	DDGD	
CCCCn1ncc(NC(=O)NNC(=O)c2ccccn2)c1C	757747831	AOSFHRGHBWKPNO-UHFFFAOYSA-N	316.365	1.853	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)C[C@@H]1COCCO1	855677679	BENJZYRRWFIKJI-GFCCVEGCSA-N	315.801	1.226	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NNC(=O)c2ccccc2C)o1	752355990	JUIPADTXQGNNEY-UHFFFAOYSA-N	316.317	1.185	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1cnc2ccsc2c1	755286016	ZCKJVWAADGVYBU-UHFFFAOYSA-N	301.331	1.023	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)Cc2n[nH]c(C)n2)cc1C	854574890	SPPBTZLRYWOWEL-UHFFFAOYSA-N	317.349	1.284	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(Cn2ccnc2)cc1	921038126	FPYHSHRWFCLUDR-UHFFFAOYSA-N	301.350	1.285	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)c1cc2c(nc1O)CCCC2	857355885	BCYYOXCQRGGVFN-UHFFFAOYSA-N	319.752	1.866	50	20	DDGD	
COCCOc1ncccc1C(=O)NNc1ncc(F)cc1F	857533103	ICRQTXAJENKJQJ-UHFFFAOYSA-N	324.287	1.537	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](c2cnn(C)c2)C(C)C)nn1	927415558	ZMJNKVYAQXYIME-ZDUSSCGKSA-N	303.370	1.542	50	20	DDGD	
CS/C=C\C(=O)NNC(=O)c1cc(Br)c[nH]1	751532617	FNFAOMIBGGHVAX-IHWYPQMZSA-N	304.169	1.415	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C1CCC2(CC1)CC2	854388720	USEQDMIQJKHVFS-UHFFFAOYSA-N	312.410	1.893	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)Cn2cccn2)cc1C	920437205	REUFFXHUUSKDRI-UHFFFAOYSA-N	303.391	1.518	50	20	DDGD	
COCCCNC(=O)NN=Cc1c[nH]nc1-c1cccs1	920829580	IQZVAITXBHGEJK-UHFFFAOYSA-N	307.379	1.808	50	20	DDGD	
CO[C@@H]1COC[C@H]1NC(=O)NNc1ccc(F)cc1Cl	923034094	PIPYWRMCDGYMAY-GHMZBOCLSA-N	303.721	1.519	50	20	DDGD	
CC(=O)N1CC(C(=O)OC[C@@H](CBr)C2CC2)C1	859650332	XSQUENNQKGSACR-SNVBAGLBSA-N	304.184	1.429	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccccc1CCC(F)(F)F	757659272	XJTFTMAYRZSJCW-UHFFFAOYSA-N	319.283	1.981	50	20	DDGD	
COCCOC[C@H](C)NC(=O)NC[C@@]1(C)C[C@H]1Br	856840347	PWGAXQGBKHMUBB-HOSYDEDBSA-N	323.231	1.511	50	20	DDGD	
Cc1nnccc1C(=O)NNC(=O)Cc1cccc2ccccc12	752993087	MHKZEDBBEJIAOT-UHFFFAOYSA-N	320.352	1.942	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccc(Cl)cn2)[C@@H]2CCCC[C@@H]2N1	856094387	HNKCIQDXSZJFOG-SRVKXCTJSA-N	322.796	1.873	50	20	DDGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1cc[n+]([O-])cc1	754472577	VMIBQSQHKIFVLE-UHFFFAOYSA-N	307.313	1.534	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(C)C[C@@H]2CC2(C)C)c1	852771479	FTIRVDRBAPKTMV-AWEZNQCLSA-N	303.406	1.734	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCO2)NNC(=O)OCC(F)(F)F	856025251	PRQGBGBEGJXJGF-UHFFFAOYSA-N	318.251	1.484	50	20	DDGD	
CCc1cc(Br)ccc1NNC(=O)Cn1cncn1	753177241	KSYLARAUKRHMKP-UHFFFAOYSA-N	324.182	1.746	50	20	DDGD	
CC(C)(C)N1C[C@@H](CNS(=O)(=O)CCCCCl)CC1=O	851828035	MNDUAFUKGRAEQN-LLVKDONJSA-N	324.874	1.572	50	20	DDGD	
O=Cc1cc(C(=O)NNC(=O)NC2CCCCC2)ccc1F	864460909	ILHRJKKMAIPDTH-UHFFFAOYSA-N	307.325	1.915	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NNc1nc2ccccc2n1C	863915163	CESWNGNALAENIW-GHMZBOCLSA-N	310.361	1.554	50	20	DDGD	
Cc1sc(S(=O)(=O)NNC(=O)C2CCC2)cc1[N+](=O)[O-]	767461174	RBQANDNMCMOMRV-UHFFFAOYSA-N	319.364	1.074	50	20	DDGD	
NC(=O)C(=O)NN=Cc1ccc(OCc2ccc(F)cc2)cc1	764657252	GYVPITGNOGLDNJ-UHFFFAOYSA-N	315.304	1.340	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)c2ccc(Cl)nc2)CCC1=O	763912959	WOAURDUIVOKXHK-IUCAKERBSA-N	309.753	1.501	50	20	DDGD	
Cc1cccc(CO[C@@H](C)C(=O)NNC(=O)[C@@H]2CCCCO2)c1	868619536	OIPYZHULZNMYCZ-ZFWWWQNUSA-N	320.389	1.617	50	20	DDGD	
CSCC[C@H](O)C(=O)NNc1cc(C#N)cc(Cl)n1	769057382	UOTSLEBHMKGKFB-QMMMGPOBSA-N	300.771	1.164	50	20	DDGD	
O=C(CN1CC[C@H](C2CC2)C1)NNC(=O)c1cccc(Cl)c1	764485624	RRLLOIJJIHMTKI-ZDUSSCGKSA-N	321.808	1.833	50	20	DDGD	
O=C(CCC1(O)CCC1)NNC(=O)c1ccc(Cl)cc1F	866319939	FFIDNNQELZAJNQ-UHFFFAOYSA-N	314.744	1.935	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccc(Cl)c(Cl)c1	869913980	QZGZAAGPAIAQBQ-UHFFFAOYSA-N	321.160	1.417	50	20	DDGD	
COC(=O)c1ccc(/C=C\C(=O)NN(C)C(=O)OC(C)(C)C)o1	868856142	BXGXKSKTWGEHDB-CLFYSBASSA-N	324.333	1.978	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H](C)NC(=O)CC2CCCCC2)cc[nH]1	862510724	RABSKAGYGQIMIF-ZDUSSCGKSA-N	318.421	1.730	50	20	DDGD	
C[C@@H](NNC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1)C(F)(F)F	862307473	YASYTUNNDPYCPM-AMIZOPFISA-N	316.279	1.730	50	20	DDGD	
O=C(CCC(=O)c1ccc(Cl)cn1)NNc1cccnn1	769630564	ULZJTYNAKNXMRC-UHFFFAOYSA-N	305.725	1.631	50	20	DDGD	
N#Cc1cccc(OCC(=O)NNc2ccc([N+](=O)[O-])cc2)c1	768248669	YBFIPZHSJOPYCV-UHFFFAOYSA-N	312.285	1.989	50	20	DDGD	
O=C(NNC(=O)c1cccc([C@@H]2CCOC2)c1)c1cccnc1	761191666	JDFWQZMPENQDRN-OAHLLOKOSA-N	311.341	1.660	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N(C)CC1CCOCC1	767217853	UIMKLZIWTZVIOI-UHFFFAOYSA-N	321.377	1.408	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CCc2nc[nH]n2)c(C)c1	873759190	KBXOLFJAHPXURU-UHFFFAOYSA-N	318.406	1.372	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCC1(C)C	772598224	AKWADZULQFZWCA-NEPJUHHUSA-N	312.410	1.938	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@H](O)Cc1ccccc1Cl	771930060	LMECSGQTKVLTQT-CYBMUJFWSA-N	321.764	1.043	50	20	DDGD	
CC(C[C@H]1CCOC1)=NNC(=O)CCNC(=O)OC(C)(C)C	779806389	REHRRDRJVMEHJP-GFCCVEGCSA-N	313.398	1.820	50	20	DDGD	
Cc1nn(C)c(NC(=O)NNC(=O)C(C)C)c1Br	879701194	SCXCBNNEIILTFR-UHFFFAOYSA-N	318.175	1.300	50	20	DDGD	
CC(C)C#CC(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874954455	XIWCXKDLDZRNAT-UHFFFAOYSA-N	304.419	1.730	50	20	DDGD	
Cc1nc(NC(=O)NNc2cccc(S(C)(=O)=O)c2)oc1C	776302360	MCQBCOMFMXJZOG-UHFFFAOYSA-N	324.362	1.844	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2ccccc2Br)C1=O	773455960	NHRIYHVRETUEJU-QMMMGPOBSA-N	312.167	1.371	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)Cc1n[nH]c2c1CCCC2	772889562	CYIQMDCUKIXGCD-UHFFFAOYSA-N	314.393	1.888	50	20	DDGD	
CCc1noc(C2CCC(=NNC(=O)COCCOC)CC2)n1	872401410	TZAFZRQOZLYVOA-UHFFFAOYSA-N	324.381	1.425	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)Oc1ccc(C)cc1	771979760	XPWAJXAGJOWZBA-RYUDHWBXSA-N	322.361	1.251	50	20	DDGD	
CC1(C)CC(=NNC(=O)CCCNC(=O)C(C)(C)C)CCO1	872389135	ABHAMVVTNNVQFB-UHFFFAOYSA-N	311.426	1.990	50	20	DDGD	
COC(=O)c1cncc(C(=O)NNc2cnnc3ccccc23)c1	774300766	DOWIWHQZTXKUCX-UHFFFAOYSA-N	323.312	1.568	50	20	DDGD	
O=C(Cc1nc2ncccn2n1)NNc1ccc2ccccc2n1	777461176	DDZCJKAFLSXKIA-UHFFFAOYSA-N	319.328	1.358	50	20	DDGD	
C=C(C)CN(C)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	778664676	KKOZRWWEENDWJA-UHFFFAOYSA-N	313.361	1.735	50	20	DDGD	
CC(C)(C)OC(=O)NC1(C(=O)NNc2cnccn2)CCCC1	775278239	BIAWKOPTKCRTJM-UHFFFAOYSA-N	321.381	1.757	50	20	DDGD	
CCC[C@@]1(COC)CCCN1CC(=O)NNC(=O)C(C)(C)C	773958768	NJGTUBODNKPWRL-INIZCTEOSA-N	313.442	1.461	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1c(F)cc(F)cc1F)C(C)C	885149415	ORHBTNVHNFBNEW-LLVKDONJSA-N	303.284	1.708	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](N)c1ccccc1C(F)(F)F	884313715	MXRPIQFWLGHGRK-SNVBAGLBSA-N	318.299	1.398	50	20	DDGD	
CC(C)[C@@](C)(O)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	770207165	BLNXUGZYTQDAGV-ZUZCIYMTSA-N	312.341	1.147	50	20	DDGD	
CS[C@@H](CNC(=O)NNC(=O)c1cccnn1)C(C)(C)C	883564186	KEUVBZBISRLVDI-JTQLQIEISA-N	311.411	1.198	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccn(CCc2ccccc2)n1	887149180	MHISZOMRQLJVCD-UHFFFAOYSA-N	324.384	1.690	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)CO1	784157169	QYYJKUVROKQUML-IUCAKERBSA-N	320.374	1.324	50	20	DDGD	
C[C@@H]1C[C@@H]2CC[C@H](C(=O)NNC(=O)c3ccccc3F)CN2C1	1123573967	UGRDFHOSJCKFLR-AGIUHOORSA-N	319.380	1.707	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)[C@@H]1CCc2nnnn2CC1	885127869	GJNYAUMOHZFZTE-SNVBAGLBSA-N	320.784	1.731	50	20	DDGD	
Cc1cccnc1C=NNC(=O)CNC(=O)c1cccs1	781591657	MZEVLSWCNRKAPJ-UHFFFAOYSA-N	302.359	1.332	50	20	DDGD	
C[C@]1(COC(=O)CN2CCCCC2=O)C[C@@H]1Br	1123141712	MMTXXYGTBZOABI-JOYOIKCWSA-N	304.184	1.716	50	20	DDGD	
O=C1CCCN1C[C@@H]1CCCCN1S(=O)(=O)CCCCl	881881572	QKBMUEVXQFGFPS-LBPRGKRZSA-N	322.858	1.422	50	20	DDGD	
Cc1ccc(F)cc1C(=O)C(=O)NNC(=O)c1ccccn1	781928539	MPUNLDGCZFUZIB-UHFFFAOYSA-N	301.277	1.173	50	20	DDGD	
Cn1ccc(NC(=O)C(=O)NNc2nc3ccccc3s2)n1	782812359	KBFLQYQDQMXRSQ-UHFFFAOYSA-N	316.346	1.112	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@@H]1CCCN1c1ccccc1	787476346	QNDHIGKYSOYTQU-ZDUSSCGKSA-N	301.325	1.728	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=S)NC(C)(C)C)C1	899999277	GNEUWXZOLMXHLW-SCZZXKLOSA-N	309.439	1.369	50	20	DDGD	
CCCSc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)NC	780908760	WSTCJRYMROZNNI-UHFFFAOYSA-N	312.351	1.671	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2ccc([N+](=O)[O-])cc2Cl)cn1	783844043	AXWCFWBQIYVKMZ-UHFFFAOYSA-N	307.697	1.746	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc(O)c([N+](=O)[O-])c1	781070917	NGZWXYNHTKLGML-UHFFFAOYSA-N	315.285	1.684	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)nc1O	891961201	ZFBQIQFVXDJIEW-VHSXEESVSA-N	321.287	1.411	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CCOC1)c1cc(C(=O)O)ccc1F	792650869	PAEKPUZICMPNQW-SNVBAGLBSA-N	308.309	1.791	50	20	DDGD	
O=C(NN=C1CCC[C@H](c2cccnc2)C1)C(=O)N1CCCC1	799878503	YXOINUITCNUWGS-ZDUSSCGKSA-N	314.389	1.834	50	20	DDGD	
Cc1cccnc1NNC(=O)c1ccccc1OCC(N)=O	791224162	PXBDMQNMYXSMHA-UHFFFAOYSA-N	300.318	1.011	50	20	DDGD	
C#Cc1cncc(C(=O)NNC(=O)c2ccc3ccccc3n2)c1	798153978	PEPJIKZERXHAPJ-UHFFFAOYSA-N	316.320	1.686	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)COCc1ccccc1	793537725	CLYAEDXWUKCZFZ-SWLSCSKDSA-N	308.378	1.412	50	20	DDGD	
C=CCCOCC(=O)NNC(=O)c1cc(C)nc2ccccc12	799009674	ICWFCNQDGPMUMD-UHFFFAOYSA-N	313.357	1.897	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H]2CCN(CC(F)(F)F)C2)n1	792039961	LQOYXYKWDLNACT-JTQLQIEISA-N	317.315	1.421	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C(C)(C)O)c1ccc(C(F)(F)F)cc1	798997315	FEBYOYAZYLKLTN-MRVPVSSYSA-N	318.295	1.727	50	20	DDGD	
COC(=O)[C@@H]1[C@H]2CN(/C(=C/C#N)c3ccc([N+](=O)[O-])cc3)C[C@H]21	794975463	XRYRDZOXRBCGDK-UPQUCRLZSA-N	313.313	1.810	50	20	DDGD	
CC(=O)Nc1cccc(C(=O)NNc2nc3ccccn3n2)c1C	791252789	NLRAIHFBPQWCQP-UHFFFAOYSA-N	324.344	1.753	50	20	DDGD	
Cc1ccc(C)c2c1OCCC2=NNC(=O)C(=O)NC1CC1	1317976205	SYYMUSZBCQLMRJ-UHFFFAOYSA-N	301.346	1.185	50	20	DDGD	
Cc1ccc(NC(=O)N(C)C)c(C(=O)NNC(=O)C2CC2)c1	1318973816	FOIAEBMBHVQRFK-UHFFFAOYSA-N	304.350	1.260	50	20	DDGD	
Cc1cccc(C)c1NCC(=O)NNc1nncc(N)c1Cl	1319776779	MBHOAGWXZOMHLR-UHFFFAOYSA-N	320.784	1.884	50	20	DDGD	
Cn1ccnc(NNC(=O)c2cc(C#N)ccc2Cl)c1=O	1323243419	LADWBKJBGRRADA-UHFFFAOYSA-N	303.709	1.062	50	20	DDGD	
O=C(NNC(=O)c1ncc(Cl)s1)c1ccc(Cl)nc1	1326798640	JUCSMFFWCLHKOY-UHFFFAOYSA-N	317.157	1.920	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H](C)CC(=O)OC(C)(C)C)n1	1327237406	HHEWOXPRJWELJC-NSHDSACASA-N	323.397	1.840	50	20	DDGD	
Cc1ocnc1CNC(=O)NNC(=O)c1ccccc1Cl	1254154613	SYLUOXIEWCTUBC-UHFFFAOYSA-N	308.725	1.781	50	20	DDGD	
CC[C@@H](NCc1ccc(B(O)O)cc1)c1cc(F)ccc1OC	1335115233	QYBIHUYKVOVNPJ-MRXNPFEDSA-N	317.169	1.755	50	20	DDGD	
CS(=O)(=O)c1ccc(C=NNC(=O)C2CCOCC2)s1	1333198905	BTFLKBJPQDCMFH-UHFFFAOYSA-N	316.404	1.028	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccc(F)cc2C1)c1ccccn1	1336067981	SPVRWKZATMVKOM-NSHDSACASA-N	315.304	1.233	50	20	DDGD	
O=C(NNc1cccc(F)c1Cl)[C@@H]1OC[C@@H]2COCC[C@@H]21	1337361465	QYRHHRRKHQFHAY-MWODSPESSA-N	314.744	1.974	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)CC(C)C)c(C)c1	1337783911	VBPGMEPLLPMILT-UHFFFAOYSA-N	307.350	1.980	50	20	DDGD	
CCc1nc(NC(=O)NNC(=O)C2CCOCC2)sc1C	1331788199	SWLITEXLVNFYRN-UHFFFAOYSA-N	312.395	1.593	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@]2(F)CCOC2)c1	1335854757	WJNFPHGLSNMPCI-AWEZNQCLSA-N	311.382	1.750	50	20	DDGD	
COCCN(C)NC(=O)c1cccc(Br)c1OC	1346974233	XWBBTJRDPDTEQD-UHFFFAOYSA-N	317.183	1.681	50	20	DDGD	
CCN(CC)CC[C@H](C)NC(=O)NNc1ccc(OC)cn1	1343576685	NEPDGKFDJUMOGT-LBPRGKRZSA-N	309.414	1.837	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cc2c[nH]c3cnccc23)cc1	1343865991	SYCKFGUBHCINNV-UHFFFAOYSA-N	319.324	1.438	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccsn1	1606853301	BALLUKGPWGCSLZ-UHFFFAOYSA-N	322.741	1.129	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1ccc(C(=O)O)o1	1600585008	GSRKBQUSSWWNPD-UHFFFAOYSA-N	303.274	1.753	50	20	DDGD	
Cn1nc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)cc1C(=O)O	1608148472	MHORHYZHKPMECI-UXBLZVDNSA-N	314.276	1.803	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccc3nncn3c2)c(F)c1	1602382870	GZYUYLIMLQUUIV-UHFFFAOYSA-N	315.264	1.324	50	20	DDGD	
O=C(O)CN1CCN(C[C@H](CBr)C2CC2)CC1	1602060992	OXKHBTACTHLRKM-NSHDSACASA-N	305.216	1.110	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1nc2c(s1)CC[C@H](C(=O)O)C2	1605618276	ICDUTBXVLIWHRQ-INTFFVIUSA-N	321.358	1.715	50	20	DDGD	
Cc1nccnc1NC(=O)NNc1ccc(C(=O)O)cc1F	1600758817	XGYWBDDZRZEYAC-UHFFFAOYSA-N	305.269	1.771	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2ccc(CC(=O)O)cc2)n1	1607632566	QWXAKFMJZUDVLQ-UHFFFAOYSA-N	315.333	1.869	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccc(C(=O)O)c(F)c1)n1ccnc1	1604068088	JHBTYVIMBQOCER-VIFPVBQESA-N	306.297	1.815	50	20	DDGD	
Cc1ccc(NNC(=O)c2cc(Cl)n(C)n2)cc1C(=O)O	1600461230	FGEFWWGJTZHICW-UHFFFAOYSA-N	308.725	1.837	50	20	DDGD	
C[C@@H](CC(=O)O)NC(=O)NNC(=O)C(C)(C)c1ccccc1	1603125109	CFYFICQQVXGNIF-JTQLQIEISA-N	307.350	1.158	50	20	DDGD	
O=C(/C=C/c1ccc(O)c(O)c1)NNc1ccccc1C(=O)O	1610652916	UOFRVDVKEZIROL-SOFGYWHQSA-N	314.297	1.953	50	20	DDGD	
CC[C@H](CO)N1CCN(C(=O)C2CCC(Cl)CC2)CC1	1548670621	BJNXEKNQFSUZTC-JXQTWKCFSA-N	302.846	1.699	50	20	DDGD	
O=C(NN=Cc1ccc(F)c(F)c1)[C@H]1CN2CCC[C@H]2CO1	1549316871	UNRLCWVWQQIKHC-SMDDNHRTSA-N	309.316	1.278	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H]2CCCO[C@@H]2c2ccnn2C)no1	1549316861	ULMWWMXWVSKJEK-JSGCOSHPSA-N	317.349	1.335	50	20	DDGD	
I[C@@H]1COC[C@@H]1OCC1CCOCC1	158395659	XTTHBDCSKYVJCH-ZJUUUORDSA-N	312.147	1.632	50	20	DDGD	
C[C@]1(C(=O)N[C@H]2CCNC3(CCC3)C2)C[C@H]1Br	1576344631	ZTLVTPPLYIHYJT-UMNHJUIQSA-N	301.228	1.951	50	20	DDGD	
C[C@]1(C(=O)NNc2cc(C(F)(F)F)ccn2)C[C@H](N)CCO1	1576351160	XIILBVNSSQKQGN-BXKDBHETSA-N	318.299	1.440	50	20	DDGD	
CCc1ccc(NNC(=O)C2([C@]3(O)CCCNC3)CCC2)cc1	1578262746	ZBEVSINJMBUQOE-SFHVURJKSA-N	317.433	1.977	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCCNC1	1580732813	KCELANZISJXEDO-GMTAPVOTSA-N	321.343	1.502	50	20	DDGD	
O=C(CCBr)N1CC2(CCCN2C(=O)C2CC2)C1	1846760656	WKCZYITXOZNULV-UHFFFAOYSA-N	315.211	1.385	50	20	DDGD	
CC1(C)C[C@]1(C(=O)O)C(=O)NNc1ccc([N+](=O)[O-])cc1F	1589218984	FPRRXZPDGJNGNL-CYBMUJFWSA-N	311.269	1.678	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@]1(C(=O)O)C[C@@H]1c1ccccc1	1589693368	JEQOALSPRYEGTL-BDJLRTHQSA-N	304.346	1.438	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1O	1592690702	TVEZQQVYAGRQQQ-UHFFFAOYSA-N	321.300	1.201	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1=CCCCC1	1593160621	HGYIHIVOUJGBIF-UHFFFAOYSA-N	319.756	1.859	50	20	DDGD	
O=C(NNC(=O)[C@H](C(=O)O)C1CC1)c1ccc2ccccc2c1	1594779447	RPUHOVLGRCBTGR-CQSZACIVSA-N	312.325	1.712	50	20	DDGD	
Cc1ccc(C(=O)NNc2ncccc2C(=O)O)cc1[N+](=O)[O-]	1594346856	IWXLGZMHHJDERX-UHFFFAOYSA-N	316.273	1.753	50	20	DDGD	
C[C@@]1(CNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)C[C@@H]1Br	1594021799	LWHMOZQAXAGVDJ-NHRVJRKFSA-N	304.184	1.777	50	20	DDGD	
CNC(=O)/C(C#N)=C/c1cn(CC(=O)O)nc1-c1ccccc1	1776125748	RTKCMFLSYVLEST-KPKJPENVSA-N	310.313	1.288	50	20	DDGD	
CC(=NNC(=O)c1ccc(C(=O)O)cc1)c1ncc(Cl)n1C	1776100984	LEBFVGMNWMJLDF-UHFFFAOYSA-N	320.736	1.926	50	20	DDGD	
CC(=NNC(=O)c1ccnnc1)c1ccc(C(=O)O)c(F)c1	1776081399	MSOYKMRYAQTUAW-UHFFFAOYSA-N	302.265	1.468	50	20	DDGD	
COC(=O)NNC(=O)c1nc(C)n(-c2ccccc2C(C)C)n1	158947892	WFSCRSFICVMFPG-UHFFFAOYSA-N	317.349	1.700	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NNC(=O)C(C)(C)C)C1	160296322	XZTCQLUNFDNIFJ-RYUDHWBXSA-N	311.426	1.465	50	20	DDGD	
O=C(NNC(=O)C1CCCCCC1)C(=O)Nc1ccccn1	151860670	JTOMQGGVPGZGMV-UHFFFAOYSA-N	304.350	1.138	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cc2ccccc2cc1O)N(C)C	151312883	BFKUYFFNLUEMBP-CQSZACIVSA-N	315.373	1.647	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1CC(C)(C)c2ccccc21	152725178	QZAUXKBMYJTPGA-ZDUSSCGKSA-N	305.378	1.776	50	20	DDGD	
O=C(CN1C[C@H]2CCC[C@H]2C1)NNC(=O)c1ccccc1Cl	153324965	HDSCCBNOZJUBGQ-TXEJJXNPSA-N	321.808	1.833	50	20	DDGD	
C[C@H]1C[C@H](CC(=O)NNc2ccc(C(N)=O)nn2)CC(C)(C)C1	154417782	CLTAYJFDOYCVLN-WDEREUQCSA-N	319.409	1.871	50	20	DDGD	
O=S(=O)(CCCCl)NCCn1cnc2ccccc21	881816018	GRRPVTHNYXHFDD-UHFFFAOYSA-N	301.799	1.585	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C	861735512	SBSFYHLVLVYOBT-SSDOTTSWSA-N	315.197	1.134	50	20	DDGD	
CN(NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1	10892057	FYDSRAZAMUMNLU-UHFFFAOYSA-N	319.386	1.839	50	20	DDGD	
C=C(C)CN1CCC(NC(=O)NNc2cncc(Cl)n2)CC1	106341051	PWDXESYGDSIWFC-UHFFFAOYSA-N	324.816	1.797	50	20	DDGD	
Cn1ccc(C(=O)NNC(=O)c2cccc3ncccc23)cc1=O	106812332	NKKOMDFQPZNDDD-UHFFFAOYSA-N	322.324	1.008	50	20	DDGD	
NC(=O)c1csc(C(=O)NNC(=O)c2ccc(Cl)cc2)c1	53062035	DZIPPNNVYVQLTC-UHFFFAOYSA-N	323.761	1.575	50	20	DDGD	
Cc1ccc(CC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1	58584397	JEHPKUPWGSXBQN-CQSZACIVSA-N	310.419	1.030	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)CCOc1ccc(F)cc1	109827200	GLVMMAHPJDVLHF-LLVKDONJSA-N	311.357	1.082	50	20	DDGD	
O=C(NCCn1ccnc1)NNC(=O)c1cccc2ncccc12	106511747	JQKRDQNBJDATTO-UHFFFAOYSA-N	324.344	1.076	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2c[nH]nc2C)c1	109859005	NIPMSJZZKBHHAM-LLVKDONJSA-N	302.334	1.255	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)N1	112692971	LFGIDRXRHVFZMZ-VIFPVBQESA-N	321.724	1.112	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNC(=O)c1ccc(C)o1)C1CCCC1	176220076	XULVRFOWAJOZJK-CYBMUJFWSA-N	307.350	1.044	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(C(N)=O)nn2)c2ccccc2n1	176905538	SGYLIXASUHTAQO-UHFFFAOYSA-N	322.328	1.189	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)NCC2CC2)c(C)c1	68455473	RXTYZURMWUVSCZ-UHFFFAOYSA-N	305.378	1.813	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)[C@@H]1COc2ccccc2C1	172644214	OCDPPJFUULBEMT-JTQLQIEISA-N	310.317	1.047	50	20	DDGD	
COCCCCCNC(=O)NNC(=O)Cc1ccccc1F	66925726	OXOURZWDJHSKID-UHFFFAOYSA-N	311.357	1.515	50	20	DDGD	
C=CC[C@H](C)NC(=O)NNC(=O)c1cc(Br)c[nH]1	116934632	ARKHJUHYKCKOMP-ZETCQYMHSA-N	315.171	1.686	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@H]2COc3ccccc32)cc1	113159463	BUKOIRLILNMRGI-AWEZNQCLSA-N	307.309	1.495	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)c1cc2ccccc2s1	61544761	AIWNQKAUWOGORE-UHFFFAOYSA-N	305.359	1.187	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@H](C)CN2CCCC2)o1	176427273	GFKOOFATJKRUOC-NSHDSACASA-N	308.382	1.264	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc(N2CCCCCC2)nc1	63269178	VHTMNYZTBUPNAJ-UHFFFAOYSA-N	319.409	1.814	50	20	DDGD	
CCCOc1cccc(C(=O)NNC(=O)NCCCOC)c1	65205096	HJXZJQGSNPJHLY-UHFFFAOYSA-N	309.366	1.456	50	20	DDGD	
O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNc1ccccc1	120489409	AMIYEGDVMUUSMD-BETUJISGSA-N	301.346	1.305	50	20	DDGD	
Cc1csc(NC(=O)C(=O)NNC(=O)CC2CCCC2)n1	184182143	UWSMWFXHWSIKBI-UHFFFAOYSA-N	310.379	1.118	50	20	DDGD	
Cc1ccc(-c2nc(C(=O)NNC(=O)[C@@H]3CCCO3)cs2)o1	32261985	GNMZHOXTOBOHDY-JTQLQIEISA-N	321.358	1.652	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)COc2ccccc2)c1	181127949	BDSJZQJOHVNQFI-UHFFFAOYSA-N	320.370	1.612	50	20	DDGD	
COc1ncc(C)cc1NC(=O)NNC(=O)c1cccn1C	186338067	OUGZJZVDBJCHKX-UHFFFAOYSA-N	303.322	1.204	50	20	DDGD	
CC[C@H](C)C[C@@H](C)NC(=O)NNC(=O)Cn1nc(C)cc1C	74787639	PNZUCDVYFPRBQR-WDEREUQCSA-N	309.414	1.655	50	20	DDGD	
CCOC(=O)[C@@H](CC(C)C)NNC(=O)c1ccc(C#N)cc1	180979083	PFTFHGCPVRGFDI-CQSZACIVSA-N	303.362	1.770	50	20	DDGD	
CC(=O)N1CC[C@@H](CN(C)CCI)C1	191007725	CCYUWEOKFAXQES-JTQLQIEISA-N	310.179	1.222	50	20	DDGD	
NC(=O)[C@H]1CC[C@@H](C(=O)NNc2cccc3c2CCCC3)O1	193639463	WYWABMVUZHKIDD-KGLIPLIRSA-N	303.362	1.041	50	20	DDGD	
O=C(NNc1cnccn1)c1ccc([N+](=O)[O-])c2cccnc12	130260365	WQHJUAZYAKTQJQ-UHFFFAOYSA-N	310.273	1.690	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)C(=O)Nc2cccnc2C)c1	190466684	NHHHJYXXCRNDKT-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
CCN(CC)c1nc2sc(C(=O)NNC(C)=O)cc2s1	194491869	XEPGSYGEUINRCY-UHFFFAOYSA-N	312.420	1.985	50	20	DDGD	
CC(C)CC(=O)NCCC(=O)NNc1cnc2ccccc2n1	193474955	PPWVHLGKKSMKRF-UHFFFAOYSA-N	315.377	1.625	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H]1CC(=O)N(C2CC2)C1	194724390	PHZUNSOFHRVDEU-WHGQRRHOSA-N	311.341	1.179	50	20	DDGD	
O=C(NNC(=O)C1(c2ccccc2)CCOCC1)c1ccc[nH]1	97285696	CWRHBWDSIRXXKO-UHFFFAOYSA-N	313.357	1.524	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCc2c(C)nn(C)c2C)s1	148836332	MPVSZEJNEOZRBL-UHFFFAOYSA-N	320.418	1.801	50	20	DDGD	
O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc[nH]1	96950688	RWIOSVNKXNZAPH-UHFFFAOYSA-N	308.681	1.651	50	20	DDGD	
CC(=O)N1CCC[C@@H]1C(=O)NNc1cccc([N+](=O)[O-])c1C	269629095	WJYKCHJKQYLDIJ-CYBMUJFWSA-N	306.322	1.357	50	20	DDGD	
CO[C@@H](C)c1nc(CNC(=O)NNC(=O)CC(C)C)cs1	267766432	SAYNYGGVROTDPV-VIFPVBQESA-N	314.411	1.727	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](C)CO[C@H]1CCOC1	267915558	DEAFTYOLFHTNHS-STQMWFEESA-N	321.377	1.133	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)COCc2ccccc2)C[C@@H]1C	267803383	XKMUOCSYKOQCCC-BETUJISGSA-N	305.378	1.532	50	20	DDGD	
CN(C)Cc1ccsc1C(=O)NNC(=O)Cc1ccncc1	268122597	NUNPXGRBWIDDHS-UHFFFAOYSA-N	318.402	1.208	50	20	DDGD	
C[C@]1(C(=O)NNc2nc(-c3ccncc3)no2)CCCOC1	272697614	IMEPIHIDMBBWAH-AWEZNQCLSA-N	303.322	1.391	50	20	DDGD	
CSSCCNC(=O)N1CCC[C@@H]1C(=O)NC1CC1	367473930	KAXOECQBQCOOEY-SNVBAGLBSA-N	303.453	1.450	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C[C@@H]2CCC[C@@H](OC)C2)n1	279789107	FZWKVUVIWRAIPA-VXGBXAGGSA-N	308.382	1.832	50	20	DDGD	
C=C(C)[C@@H](CC(=O)NNC(=O)c1ccc(C#N)cc1)OCC	270029373	HFXUJMRFUNIIED-CQSZACIVSA-N	301.346	1.691	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cn1)[C@@H]1C[C@@]12CCOC2	363710937	XOTFIDLFIWGRKA-JOYOIKCWSA-N	301.268	1.970	50	20	DDGD	
NC[C@H]1CN(C(=O)CCCC[C@@H]2CCSS2)CCO1	368416972	OEHUQRQMWDCKBZ-NWDGAFQWSA-N	304.481	1.887	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)CCC2	272350019	OFAGLHWHJPEFIY-LLVKDONJSA-N	321.377	1.380	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(C)cc1OC[C@@H]1CCCO1	273186017	IBXZIKKUGZTWFK-LBPRGKRZSA-N	307.350	1.725	50	20	DDGD	
C[C@H]1C[C@H](CNC(=O)NNc2nc3ccccn3n2)CCO1	276972161	VNPQHBHBYJFBID-WDEREUQCSA-N	304.354	1.171	50	20	DDGD	
Cc1cc(C)c(NC(=O)C(=O)NNC(=O)CC(C)C)c(C)c1	274190481	QDWPMIFLRZAWDY-UHFFFAOYSA-N	305.378	1.744	50	20	DDGD	
C[C@@H](C(=O)NNc1ncccn1)C1CN(C(=O)OC(C)(C)C)C1	274901095	PMLPVIDYUAURLO-SNVBAGLBSA-N	321.381	1.423	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H](NC(=O)NNC(=O)CC(C)C)C2	271108484	GTRPXVJLABPTIE-LBPRGKRZSA-N	321.377	1.375	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1cnc2ccccc2n1	278157710	DEDXGDQRYRHIAC-UHFFFAOYSA-N	317.349	1.551	50	20	DDGD	
CN(C)c1ccccc1N(C)S(=O)(=O)CBr	272781125	HOMZURCGPKAMOY-UHFFFAOYSA-N	307.213	1.871	50	20	DDGD	
COC[C@H]1CN(C(=O)[C@@H](Br)C(C)(C)C)CCO1	378591995	QVGQFCOLNPVNLY-NXEZZACHSA-N	308.216	1.670	50	20	DDGD	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1cccc([N+](=O)[O-])c1C	285716916	JBAKGSCEXYNGEB-VHSXEESVSA-N	307.306	1.546	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)c1cccc2ncccc12	280701762	KIVUQUOPWXTIBK-MRXNPFEDSA-N	301.346	1.811	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cnn(-c2ccccc2C)c1C	286526374	XXPXAIYFMLKLEK-UHFFFAOYSA-N	302.334	1.832	50	20	DDGD	
COCCN(C)NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1	288306859	CHQRHKHDVRLWRM-VOTSOKGWSA-N	324.377	1.335	50	20	DDGD	
COC(OC)c1ccc(C(=O)NNC(=O)CC2CCCC2)o1	287415939	NOTQJXWGHVXXGY-UHFFFAOYSA-N	310.350	1.912	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)C(F)(F)F	288612274	LFJBUISBLKNEBI-SSDOTTSWSA-N	307.247	1.649	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H]1COCCN1CC(F)(F)F	288209562	RHQUWKMBVFPXCN-SNVBAGLBSA-N	318.299	1.096	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cn(C(C)C)cn2)nc1	282638282	GTPVMJXEGBDUAZ-UHFFFAOYSA-N	303.322	1.403	50	20	DDGD	
CSSCCNC(=O)NCc1ccc(NC(C)=O)nc1	285635315	ZAHSJEAQUMABLE-UHFFFAOYSA-N	314.436	1.850	50	20	DDGD	
COC1(C(=O)NNc2ccc(OC(F)F)cc2)CCOCC1	285191129	IRQDCXMJDZPENU-UHFFFAOYSA-N	316.304	1.927	50	20	DDGD	
CCOC(=O)N1CCC[C@@H](C(=O)NNc2cccc(F)n2)C1	286573501	MDMRYFSRQOZVGL-SNVBAGLBSA-N	310.329	1.532	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)CCC(=O)c2ccccc2)O1	294209910	LPHWVAKWYZHSBI-FZMZJTMJSA-N	304.346	1.364	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)[C@@H]1CCCO1	292086608	GGWNAHCTBXVMHQ-NRUUGDAUSA-N	310.300	1.395	50	20	DDGD	
CC[C@H](COCC(F)(F)F)NC(=O)NNc1cccnn1	297086388	ZWICJNTYOHPMBA-MRVPVSSYSA-N	307.276	1.460	50	20	DDGD	
CC[C@H]1CCCCN1CCNC(=O)NNc1ncncc1F	292790214	USXQDYVRLRJCIC-NSHDSACASA-N	310.377	1.506	50	20	DDGD	
CC(C)(C)n1cnc(C(=O)NNc2cnc3ccccc3n2)n1	293377556	QSCJOYLZAYQAEG-UHFFFAOYSA-N	311.349	1.733	50	20	DDGD	
COC[C@@](C)(O)C(=O)NNC(=O)Nc1ccc(C)cc1Cl	802047682	GOHQBCABFDKOJY-CYBMUJFWSA-N	315.757	1.199	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc(Br)o1	295321583	GOUIZZRIEYGRQP-ZETCQYMHSA-N	317.139	1.372	50	20	DDGD	
CC(C)C(Cn1cccn1)=NNC(=O)CNC(=O)c1ccco1	802711770	XLZMMKZODLIBBH-UHFFFAOYSA-N	317.349	1.034	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)[C@H](F)C(F)(F)F	809934079	GSKRVYLJWCMONK-VIFPVBQESA-N	312.194	1.252	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Cn2cc(Cl)cn2)cc1	806308274	PVMNUAHCIARSMA-UHFFFAOYSA-N	322.752	1.071	50	20	DDGD	
Nc1ccc(C=NNC(=O)c2nnc(O)c3ccccc23)cn1	807953629	XDLDFPLDYKJICE-UHFFFAOYSA-N	308.301	1.077	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)[C@@H]2CCCCO2)cc1F	295593891	PIEPBQVIEKSLJX-ZDUSSCGKSA-N	310.325	1.093	50	20	DDGD	
COc1cccc(OCCC(=O)NNC(=O)c2cccn2C)c1	294456812	PGSVXZQNXGQXDE-UHFFFAOYSA-N	317.345	1.264	50	20	DDGD	
CNS(=O)(=O)c1ccc(C(=O)N(C)CC(Cl)Cl)o1	808248655	PGFWRHPQYYZCQL-UHFFFAOYSA-N	315.178	1.063	50	20	DDGD	
CO[C@@H](C)c1nsc(NC(=O)NNC(=O)c2cccnc2)n1	809925103	BYYUKTODRRUWHT-ZETCQYMHSA-N	322.350	1.107	50	20	DDGD	
CN(C)[C@@H](C(=O)NNc1cccc(Cl)n1)c1cncn1C	293578224	AYDKBSHKTFLRLE-GFCCVEGCSA-N	308.773	1.215	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NC2CCOCC2)cc1	299183079	XMVGKKPZGRTWQK-UHFFFAOYSA-N	321.377	1.137	50	20	DDGD	
CN(C)c1cc(F)c(C(=O)NNC(=O)CC2CC2)cc1[N+](=O)[O-]	294081407	HXGNRFKGQCQNMO-UHFFFAOYSA-N	324.312	1.361	50	20	DDGD	
CN(NC(=O)c1cccc(C(=O)Nc2ccccc2)c1)C(N)=O	802960708	DWNGERQOOTWBBI-UHFFFAOYSA-N	312.329	1.594	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cncs2)c2ccccc21	807318324	QKRSIFQYVKDPRE-UHFFFAOYSA-N	300.343	1.710	50	20	DDGD	
Cc1noc(CCC(=O)NNC(=O)Nc2ccc(Cl)cc2)n1	802022955	WLQOQCGQURSOCY-UHFFFAOYSA-N	323.740	1.817	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)[C@@H](C)CCCCC(=O)O	814761517	ZBQVJUAMNIJQMF-NSHDSACASA-N	311.382	1.382	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NNc1cccc(Cl)n1	814296362	UOUKRTOBVDYGOQ-UHFFFAOYSA-N	320.740	1.030	50	20	DDGD	
CN(NC(=O)Cn1cnc2c(oc3ccccc32)c1=O)C1CC1	819642258	DRHXXKMWVNMPJY-UHFFFAOYSA-N	312.329	1.268	50	20	DDGD	
Cc1ncc2n1CC[C@H](C(=O)NNc1nc3ccccc3[nH]1)C2	810794098	OVQISZGMCIJORG-NSHDSACASA-N	310.361	1.774	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC2=NCC(O)=C2)C1	814974196	YUIJQHIBBMRDHD-JTQLQIEISA-N	324.381	1.108	50	20	DDGD	
CSCCCC=NNC(=O)c1ccc(-n2cnnn2)cc1	814756053	KBTFTWFFZIEMQW-UHFFFAOYSA-N	304.379	1.521	50	20	DDGD	
CO[C@](C)(C=NNC(=O)c1cncc(NC(C)=O)c1)C1CC1	814883184	DAINFNPUVOBFTC-OAHLLOKOSA-N	304.350	1.571	50	20	DDGD	
CC(C)C[C@@H](CNC(=O)NNC(=O)CC(F)(F)F)C(=O)O	818624321	RUFJXUABXXCGSQ-ZETCQYMHSA-N	313.276	1.016	50	20	DDGD	
Cn1nncc1NNC(=O)c1cccc(OC2CCCC2)c1	816769789	WKHOWUMQIVWWCT-UHFFFAOYSA-N	301.350	1.893	50	20	DDGD	
CC(=O)c1ccc(OCCCC(=O)NNc2cnnn2C)cc1	816769824	YDXWJSFNROOMQQ-UHFFFAOYSA-N	317.349	1.320	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)c1ccc(OC)c(OC)c1	812446585	HEMYQTPUPDJNQF-GHMZBOCLSA-N	324.377	1.383	50	20	DDGD	
CN(C)CC(=O)NN=C(C[C@H]1CCCO1)c1ccc(F)cc1	811640793	AFCQCRGLCOPFQR-CQSZACIVSA-N	307.369	1.777	50	20	DDGD	
Cc1nccc(CCC(=O)NNC(=O)Nc2ccccc2C)n1	816565703	YZRIBSSSGCRRID-UHFFFAOYSA-N	313.361	1.879	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1cccc(CN(C)C)c1	814819868	LUIUHQJLZDPFDX-UHFFFAOYSA-N	304.394	1.514	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNc1ccccc1S(C)(=O)=O	812507202	MBQDICSIMKOJRP-GHMZBOCLSA-N	314.407	1.452	50	20	DDGD	
COc1cccc(-c2n[nH]cc2C=NNC(=O)c2cnccn2)c1	814793878	ORQYVQVQTXZTKW-UHFFFAOYSA-N	322.328	1.639	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)c1ccc(O)c(Cl)c1	811644314	WYWDIMRURJYEAH-JTQLQIEISA-N	309.753	1.820	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(Cc1ccco1)C[C@H]1CCCO1	827487715	ZNAPXODKXKORSP-CQSZACIVSA-N	323.393	1.064	50	20	DDGD	
O=C(O)CCCCNC(=O)NNC(=O)c1c[nH]c2ccccc12	821518979	ZJYUJOREJPYBSG-UHFFFAOYSA-N	318.333	1.367	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CC[C@@H](C)C[C@H]2C)cc1	823515431	HKLQICMOOZHBIQ-ZIAGYGMSSA-N	303.406	1.876	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)/C=C/c2ccc[nH]2)cc1	493581815	IPRWOWOAAMSOPU-JXMROGBWSA-N	313.361	1.947	50	20	DDGD	
CC(C)(C(=O)NNC(=O)Cc1ccccc1F)N1CCCCC1	827854399	WBXKKHHILUBUAT-UHFFFAOYSA-N	321.396	1.780	50	20	DDGD	
O=C(/C=C\C1CCOCC1)NNc1ccc2c(=O)[nH]ccc2c1	492920793	DCRHMOICYKAOAK-RJRFIUFISA-N	313.357	1.954	50	20	DDGD	
Cn1c(NNC(=O)/C=C/c2ccc[nH]2)nc2ccccc2c1=O	491980836	VFCGQUVOSIJWKI-CMDGGOBGSA-N	309.329	1.418	50	20	DDGD	
N#Cc1cccc(C(=O)NN=Cc2ccccc2-c2nn[nH]n2)c1	826386753	RMNARXPTCJTQED-UHFFFAOYSA-N	317.312	1.502	50	20	DDGD	
CCCCN1CCc2ccc(NCc3ccc(B(O)O)o3)cc21	585034527	QQSLZZDVYVLXPA-UHFFFAOYSA-N	314.194	1.734	50	20	DDGD	
CN1CC[C@H](CNC(=O)/C(C#N)=C/c2ccc(O)cc2)CC1=O	491160254	KMKKYHFNFUKOTC-JGWKKKPCSA-N	313.357	1.284	50	20	DDGD	
CC1=CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)CC(C)(C)C1	728436012	CBIUOGZGJAUTTN-JTQLQIEISA-N	301.412	1.163	50	20	DDGD	
O=C(/C=C/c1cncc(O)c1)NNc1cccc(-c2nn[nH]n2)c1	826403664	YSLCFUHYTFXKGB-SNAWJCMRSA-N	323.316	1.124	50	20	DDGD	
CCC[C@@H](NC(=O)c1cc(B(O)O)ccc1F)c1cccs1	584934554	QVPGHOJSHGZJFT-CYBMUJFWSA-N	321.182	1.838	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=S)NCC2CCC2)cc1C	727270187	GNJOZIJJNGWBNJ-UHFFFAOYSA-N	321.446	1.978	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CSc1ccc(C(F)(F)F)cn1	823988353	QURYGZLISUVXTI-MRVPVSSYSA-N	323.340	1.536	50	20	DDGD	
CCC[C@@H](C)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	495084605	FZEJYXHLBVTFSN-SNVBAGLBSA-N	301.387	1.485	50	20	DDGD	
CCOC[C@@H]1CCCCN1C(=O)/C(C#N)=C/c1cnn(C)c1	491013295	TZCRBWXMYBSTPQ-NHXNDTTKSA-N	302.378	1.745	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C	496868107	YVANGQQUSVJQHV-RYUDHWBXSA-N	315.414	1.289	50	20	DDGD	
COC[C@@]1(CNC=C(C#N)C#N)CCCN1C(=O)OC(C)(C)C	495677628	QCABJTUXXADMJE-INIZCTEOSA-N	320.393	1.923	50	20	DDGD	
O=C(NC12CCC(F)(CC1)CC2)c1cc(B(O)O)ccc1F	584994642	MKZIARDOWWJDCQ-UHFFFAOYSA-N	309.121	1.050	50	20	DDGD	
CC[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(B(O)O)c(F)c1	584949294	LSZJSOUQACXWEJ-IAQYHMDHSA-N	307.174	1.546	50	20	DDGD	
OB(O)c1cccc(CNC2CCN(C3CCCCC3)CC2)c1	585027126	WZDAALWGNMHONT-UHFFFAOYSA-N	316.254	1.253	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cc(C)on1	497243123	KAFQLBJMCDAWEH-LBPRGKRZSA-N	320.349	1.350	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc2c(nc1O)CCCC2	731617458	LAVJDJBURNOOMW-UHFFFAOYSA-N	306.366	1.410	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCC(=O)N1)c1ccc(C(F)(F)F)cn1	905489868	ZSDVDFSJPJNHJJ-SNVBAGLBSA-N	314.267	1.219	50	20	DDGD	
CC(C)(C)N1C[C@@H](C(=O)NNc2ccc(Cl)nn2)CC1=O	735687109	QISDNTLAWBFYRA-QMMMGPOBSA-N	311.773	1.220	50	20	DDGD	
O=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)c1ccc(B(O)O)cc1	584981544	YSLIQHFZVXJRFB-AEFFLSMTSA-N	323.201	1.823	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@H](O)Cc1cccc(Cl)c1	834802563	VTZXVUNZUMPRGH-GAJOTYCWSA-N	308.765	1.804	50	20	DDGD	
CC(C)(C)C[C@@H]1CCCN1C(=O)c1ccc(B(O)O)c(F)c1	584938077	VTXZRIZDMSTIJI-LBPRGKRZSA-N	307.174	1.546	50	20	DDGD	
COc1ccccc1C[C@@H](NCc1ccc(B(O)O)o1)C(C)C	585025752	BRNUGGRHMXGYOD-OAHLLOKOSA-N	317.194	1.325	50	20	DDGD	
O=C(NNC(=O)c1csc(-c2ccoc2)n1)c1cccnc1	730997097	KTWRMYJDOLUYHH-UHFFFAOYSA-N	314.326	1.873	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(F)cc(Br)c1	910171159	UIRAHMQYPOIECL-SSDOTTSWSA-N	305.147	1.546	50	20	DDGD	
O=C(NCCOC[C@H]1CCCO1)NNc1cccc([N+](=O)[O-])c1	734677542	WWBUBNGZFCCOHK-CYBMUJFWSA-N	324.337	1.417	50	20	DDGD	
CC(C)=CCC[C@H](C)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	838658314	WVBKODKWJPQJGX-JSGCOSHPSA-N	317.455	1.502	50	20	DDGD	
Cc1ccc(C(=O)O)cc1NC(=O)NNC(=O)c1cccn1C	738535926	RNEDHLJCQPRTPV-UHFFFAOYSA-N	316.317	1.498	50	20	DDGD	
COCCN(C)NC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1	837625533	OUGZWYDZDFIWEE-LBPRGKRZSA-N	315.414	1.289	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1)c1nccs1	732622128	MTVIMERZNHFZNX-IJLUTSLNSA-N	324.450	1.729	50	20	DDGD	
CO[C@@H]1C[C@H](NC(=O)NNC(=O)CC(F)(F)F)C12CCC2	838770275	WLSYPSMYFHUYII-JGVFFNPUSA-N	309.288	1.227	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C(F)(F)c1ccc(F)cc1	732084282	VRNNQZHMMVUFKF-UHFFFAOYSA-N	312.251	1.410	50	20	DDGD	
CCOC1(C(=O)NNc2ccc([N+](=O)[O-])cc2)CCOCC1	830758013	XYQORYCJENQRJZ-UHFFFAOYSA-N	309.322	1.624	50	20	DDGD	
C[C@H]1CN(CC(=O)NNC(=O)c2ccccc2)CC2(CCC2)O1	830722282	CUQTYJPAXMERCB-ZDUSSCGKSA-N	317.389	1.091	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)C(C)(C)Cc1ccc(Cl)cc1	837566443	BIGXLNVRSDOVTD-UHFFFAOYSA-N	312.797	1.827	50	20	DDGD	
Cc1cc(OCC(=O)NN(C)C[C@H](C)O)cc(C)c1Cl	910160895	PKNDGZUXFDCJFF-NSHDSACASA-N	300.786	1.679	50	20	DDGD	
O=C(NC[C@H]1CC1(Cl)Cl)NNC(=O)c1ccccc1F	915907595	ABMUWHGPJVZIDX-SSDOTTSWSA-N	320.151	1.964	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2cnc3cnccn23)n1	746369087	RDKSPHDTVHCMQK-UHFFFAOYSA-N	300.347	1.187	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(C3CC3)n(C)n2)n1	746634963	XKMVZUBIOTXYKH-UHFFFAOYSA-N	302.338	1.161	50	20	DDGD	
O=C(COc1ccccc1O)NN=C1CCOC2(CCC2)C1	834983016	PGXJNGHXKVZPPP-UHFFFAOYSA-N	304.346	1.976	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H](C)Cc2ccncc2)n1	749617759	ASHKYCGYMINNTP-LBPRGKRZSA-N	300.366	1.746	50	20	DDGD	
COc1ccc2c(c1)OCC[C@H]2NC(=O)NNC(=O)C(C)C	743650851	XQUCMUNYVIHLDA-GFCCVEGCSA-N	307.350	1.505	50	20	DDGD	
Cn1nnc2c1CC[C@H](NC(=O)NNc1cccc(Cl)n1)C2	848670217	OVGVBPMNAIIKLA-QMMMGPOBSA-N	321.772	1.047	50	20	DDGD	
CNCc1cccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)c1	841311983	AXCLQOJYNMORPG-ZDUSSCGKSA-N	306.366	1.128	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc(N(C)C)c2)c(O)n1	916740948	JAXTUKBCSOJSTR-UHFFFAOYSA-N	314.345	1.236	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)[C@H]1CCC(=O)C1	843841354	AHAHAWZJCATHPF-JTQLQIEISA-N	322.386	1.304	50	20	DDGD	
CCc1ccc(C(=O)NN=C2CCN(S(C)(=O)=O)CC2)cc1	747628568	OHXVFSQFARDIBU-UHFFFAOYSA-N	323.418	1.390	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cnn(-c2ccccc2)c1	918366291	VPKYYLPLKFFABI-UHFFFAOYSA-N	312.251	1.586	50	20	DDGD	
CO[C@](C)(C1CC1)[C@H](C)NC(=O)NNc1ncncc1Cl	841590559	OTLLCUWDBXCDOJ-SDBXPKJASA-N	313.789	1.960	50	20	DDGD	
COCC1(CC(=O)NNc2ccc(C(=O)OC)cc2F)CC1	843902551	HLOQSGHDPUUOBQ-UHFFFAOYSA-N	310.325	1.872	50	20	DDGD	
O=C(/C=C\C1CCOCC1)NNc1cc(O)nc2ncccc12	913992756	HSAQMFFTLJKSNE-ARJAWSKDSA-N	314.345	1.761	50	20	DDGD	
COCC(=O)N[C@H](C(=O)NNc1c(C)cc(C)cc1C)C(C)C	743762082	VHCXFSOFFZZVJB-HNNXBMFYSA-N	321.421	1.842	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)c2cc(C3CC3)[nH]n2)cc1	846370482	LKHYQVWOFJBOOF-UHFFFAOYSA-N	314.345	1.760	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)s1	843641404	CAPIFBQGWJTILS-VHSXEESVSA-N	311.407	1.590	50	20	DDGD	
C[C@@H](COCC(=O)NNC(=O)NCC1CC1)c1ccccc1	845298877	DKTQVOFQLAHWEO-LBPRGKRZSA-N	305.378	1.547	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](Cc2ccccc2)C1	741791674	XAFKJOXWWNDIKW-ZFWWWQNUSA-N	303.406	1.497	50	20	DDGD	
CC[C@@H](C(=O)NN=c1cc[nH]c2ccccc12)N1CCCC1=O	743339927	UFRDEXFXWJNYSH-HNNXBMFYSA-N	312.373	1.501	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(F)ccc1Cl	843660435	LGQFKQIOZFTKCB-CBAPKCEASA-N	300.717	1.665	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cccc(OCC#N)c1	748260432	SVNZQUFCCYDNJC-GFCCVEGCSA-N	305.334	1.091	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)[C@@H]1C[C@H]2CC[C@H]1O2	848321427	SBJLYYHBCVXTFM-IWSPIJDZSA-N	313.155	1.250	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NN=Cc2ccc(C(=O)O)[nH]2)c1	749813312	YLXQGJXOCATPPV-UHFFFAOYSA-N	315.329	1.859	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@@H]2CCC(=O)C2)cc1	843752324	PXNAHXCETVMXQP-SNVBAGLBSA-N	321.402	1.772	50	20	DDGD	
C#CCCCC(=O)NNC(=O)/C(=C\c1ccccc1)NC(C)=O	757834187	KNNPOZOPOFQXRL-NTCAYCPXSA-N	313.357	1.115	50	20	DDGD	
CC(=NNC(=O)COc1cc(C)ccc1C)c1cnn(C)c1	920827787	ZZRAPQDNFFMPBM-UHFFFAOYSA-N	300.362	1.956	50	20	DDGD	
CN1CC[C@H](C(=O)OC[C@H](CBr)C2CC2)C1=O	859642030	NQQCUQDPICJJGT-UWVGGRQHSA-N	304.184	1.429	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@@H]1c1cccc(F)c1)c1cn[nH]c1	858704264	OOLSRYAMGGLJKV-CYBMUJFWSA-N	317.324	1.740	50	20	DDGD	
C[C@@H]1COC[C@H]1NC(=O)NNc1cccc(Br)n1	926020846	XFJGFQNGKUUWDN-HTQZYQBOSA-N	315.171	1.505	50	20	DDGD	
Cc1ncc2n1CC[C@H](C(=O)NNc1ncc(Cl)cn1)C2	857357811	DRONBWXZUFHONH-VIFPVBQESA-N	306.757	1.341	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)Cc2cscn2)c1	854191836	VKLJZQJHJWSWAE-UHFFFAOYSA-N	319.386	1.529	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H](C)CC(N)=O)c1C	854186573	OGKRFKDQOFVOEL-VIFPVBQESA-N	308.407	1.133	50	20	DDGD	
CNC(=S)N(C)NC(=O)C[C@H](C)c1ccc(F)cc1F	854922561	CJCBNJIRSAZBKT-QMMMGPOBSA-N	301.362	1.926	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)C(F)(F)c1ccc(F)cc1	755285853	WPSGNNYHJZOPTP-UHFFFAOYSA-N	312.251	1.031	50	20	DDGD	
O=C(NCC1=CCCC1)NNC(=O)[C@@H]1COc2ccccc2O1	852633528	GKBVIRQYOQWFBY-AWEZNQCLSA-N	317.345	1.267	50	20	DDGD	
CCN1CCCN(C[C@@H](CBr)C2CC2)CC1=O	859271499	CSVOQIOBSOGXCI-GFCCVEGCSA-N	303.244	1.962	50	20	DDGD	
CCn1ccnc1C=NNC(=O)CSc1nc(C)cc(C)n1	755491526	ZVCJKRNFIGSHPH-UHFFFAOYSA-N	318.406	1.552	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=Cc1cnc2n1CCC2	853268817	MNTOQOOTQJGSDJ-UHFFFAOYSA-N	322.372	1.638	50	20	DDGD	
CC(C)(C)C(=O)NCCC(=O)NC[C@@]1(C)C[C@@H]1Br	857689805	NJWGXECQFRJHHT-TVQRCGJNSA-N	319.243	1.829	50	20	DDGD	
O=C(NCc1nc(C2CC2)no1)NNc1ccc(Cl)cn1	851966310	GXERAHYRLOUVIY-UHFFFAOYSA-N	308.729	1.822	50	20	DDGD	
Cn1ccc(CNC(=O)NC[C@@]2(C)C[C@@H]2Br)n1	856845025	ISRPTMXJDXNWLE-GXSJLCMTSA-N	301.188	1.393	50	20	DDGD	
CN(C)CC(=O)NN=C1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-]	753696236	CNIDAVGWIWLBAG-GFCCVEGCSA-N	318.377	1.971	50	20	DDGD	
Cc1noc(C)c1[C@H](C)C(=O)NNC(=O)OCC(F)(F)F	856024209	MKTJFNDZTCTSBD-YFKPBYRVSA-N	309.244	1.715	50	20	DDGD	
O=C(NCCOCCF)NNC(=O)c1cccc2ncccc12	852715115	YGILZLZLKGECSI-UHFFFAOYSA-N	320.324	1.165	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)c1ccccn1	755338850	OPFXINPEJZUAJS-UHFFFAOYSA-N	315.289	1.765	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(N2CCCC2)nc1	758378502	PEIAUTPVSLSKKD-ZDUSSCGKSA-N	320.393	1.183	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cc2ccccc2o1)[C@H]1CCC(=O)N1	859908274	FASXXMXSJIHPEL-GXSJLCMTSA-N	315.329	1.109	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	858122143	QNYWKVUHLDGDIX-KBPBESRZSA-N	322.361	1.179	50	20	DDGD	
CN(C)CCCNC(=S)NC[C@@]1(C)C[C@@H]1Br	857204481	SNDMVHAONTZONV-GXSJLCMTSA-N	308.289	1.576	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)C(=O)Nc2ccccn2)C1(C)C	758390210	NWYQCPHWQOPIEG-LLVKDONJSA-N	304.350	1.327	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2CCO[C@H](C(C)C)C2)n1	935753519	WFLZTCSSPPSULG-OCCSQVGLSA-N	305.378	1.602	50	20	DDGD	
CC[C@H](C(=O)NC[C@]1(C)C[C@@H]1Br)N1CCCC1=O	857399266	VSQJVJAUYPBRMA-NRUUGDAUSA-N	317.227	1.677	50	20	DDGD	
O=C(NCCCSc1nccs1)NNC(=O)C1CCC1	759603245	RPQXUXGGWZZUNE-UHFFFAOYSA-N	314.436	1.756	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2=NO[C@@H](c3ccccc3)C2)o1	752781316	UFHMPOFCAFEOQP-CQSZACIVSA-N	313.313	1.867	50	20	DDGD	
C[C@H](NNC(=O)c1cccnc1OCC(F)F)C(F)(F)F	862317115	VGFNLAJNCXHNEA-LURJTMIESA-N	313.226	1.911	50	20	DDGD	
Cc1cc(=NNC(=O)CCCc2nc(C(C)(C)C)no2)cc[nH]1	862510817	UKSLOTBFYUGSCA-UHFFFAOYSA-N	317.393	1.958	50	20	DDGD	
C[C@H](CCc1ccccc1F)C(=O)NNC(=O)c1cn[nH]c1	862471845	AVFAASGZOBFSLH-SNVBAGLBSA-N	304.325	1.579	50	20	DDGD	
Cc1csc(=O)n1CCC(=O)NNc1nc2ccccc2[nH]1	768500923	XNAJKLWMBQPNQN-UHFFFAOYSA-N	317.374	1.628	50	20	DDGD	
C[C@H](NNC(=O)c1cc(C(F)(F)F)nn1C)C(F)(F)F	862320330	ISSZRVUXKVWFAX-BYPYZUCNSA-N	304.194	1.624	50	20	DDGD	
N#CCc1ccccc1C(=O)NNC(=O)NCC(F)(F)F	868027347	GDXVBWVUTJXQMW-UHFFFAOYSA-N	300.240	1.259	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(F)(F)c1cnc(Cl)c(C)c1	935291355	PPEWVUYTIRHWSY-UHFFFAOYSA-N	320.727	1.828	50	20	DDGD	
C=C[C@H](CC)CC(=O)NNC(=O)Cc1cn2ccccc2n1	933999027	HABVAIYIBZRLRQ-GFCCVEGCSA-N	300.362	1.627	50	20	DDGD	
COC(=O)N(C)NC(=O)Cn1nc(C(F)F)cc1C(F)F	935908616	MWPMKNBQNSNADS-UHFFFAOYSA-N	312.223	1.488	50	20	DDGD	
O=C(C[C@@H]1COC(=O)C1)NNc1ccc(Br)nc1	768026734	BJVSYNWWBRYMLH-ZETCQYMHSA-N	314.139	1.240	50	20	DDGD	
COc1ccc(OCCC(=O)NN=c2cc[nH]c(C)c2)cc1	862508499	SWMUJZQZCDZERJ-UHFFFAOYSA-N	301.346	1.733	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CCN3CCC[C@@H]23)cc1	765570198	RFNOXJBEVSXMBR-AWEZNQCLSA-N	300.362	1.274	50	20	DDGD	
C[C@]1(CCNC(=O)c2ccc(B(O)O)cc2)CC1(Cl)Cl	863885689	NSMOTMDCJXNYLN-LBPRGKRZSA-N	315.993	1.070	50	20	DDGD	
Cc1cc(C(=O)NN[C@@H](C)C(F)(F)F)n(C2CCOCC2)n1	862321721	CPRNGQAXFPTARO-VIFPVBQESA-N	320.315	1.728	50	20	DDGD	
COc1ccccc1C(=O)C(=O)NNC(=O)c1ccccc1C	760811254	YGLONPVYHIDBAY-UHFFFAOYSA-N	312.325	1.648	50	20	DDGD	
C[C@H](Sc1ccccn1)C(=O)NNC(=O)CC(F)(F)F	762492904	ICENBWXUGKUAIP-ZETCQYMHSA-N	307.297	1.662	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1c(F)ccc(F)c1Cl	863076078	GVKLVRDQTNSZAZ-UHFFFAOYSA-N	303.696	1.593	50	20	DDGD	
CSc1cccc(NC(=O)C(=O)NNC(=O)C2CCCC2)c1	764069620	ZAZQDVHTZVRCIW-UHFFFAOYSA-N	321.402	1.685	50	20	DDGD	
CN(C)c1ccc2c(c1)N(C)C(=O)C2=NNC(=O)OC(C)(C)C	761744781	PVGSOQGGRQXEEA-UHFFFAOYSA-N	318.377	1.958	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CC(F)(F)C(F)(F)F	869068849	WHBROXLEGNCUSD-PHDIDXHHSA-N	304.215	1.147	50	20	DDGD	
COC(=O)COc1cccc(C(=O)NN[C@@H](C)C(F)(F)F)c1	862309628	RTQLJMWUZBNMHO-QMMMGPOBSA-N	320.267	1.424	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccn1C)c1cccc([N+](=O)[O-])c1	761421440	REYLEHIRHHBAPE-SNVBAGLBSA-N	316.317	1.498	50	20	DDGD	
COC(=O)CC1CCC(=NNC(=O)c2sc(N)nc2C)CC1	863077597	SBUDQZDQQAXTHW-UHFFFAOYSA-N	324.406	1.873	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)C(=O)c1ccc(O)cc1	1117394803	FQBCRELBTNABJM-UHFFFAOYSA-N	324.296	1.367	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1CCCOC1	872388388	HMSOUXPQAZGDTI-NFAWXSAZSA-N	309.410	1.158	50	20	DDGD	
O=C(NNc1ncccc1C(F)(F)F)[C@H]1C[C@@]12CCOC2	764464401	ZEHSMYNTYHXJKW-BXKDBHETSA-N	301.268	1.970	50	20	DDGD	
Cc1cccc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)n1	771927798	DQICFTBFELRRQW-LLVKDONJSA-N	307.350	1.129	50	20	DDGD	
CC(C)(C)c1nn(Cc2ccccc2)cc1C=NNC(=O)CO	776780967	RYLGCTFXSQUCGV-UHFFFAOYSA-N	314.389	1.671	50	20	DDGD	
Cc1cc(C)c2c(c1)CN(CC(=O)NNC(=O)C(C)(C)C)CC2	776855891	JFLWYARKWQEBPB-UHFFFAOYSA-N	317.433	1.855	50	20	DDGD	
Cc1ccncc1[C@@H](C)NC(=O)NNC(=O)Cc1ccncc1	771439932	MVADKEWDNFEGQQ-GFCCVEGCSA-N	313.361	1.419	50	20	DDGD	
CC(C)c1ncncc1C(=O)NNc1cc(Cl)nc(N)n1	773866328	FNGYQOHFGKOHRY-UHFFFAOYSA-N	307.745	1.383	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CCCC(=O)OC)c1	874949835	FYNUSSPGEPLDEJ-UHFFFAOYSA-N	319.386	1.329	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)CCc1ccc2c(c1)OCO2	779821402	UVORRNFUAZQEHK-UHFFFAOYSA-N	321.333	1.196	50	20	DDGD	
CCOCC(=O)NN=Cc1ccc(C(=O)N2CCCC2)cc1	872350507	UGDKNHUPTLALRV-UHFFFAOYSA-N	303.362	1.409	50	20	DDGD	
Cc1sc2ncc(C(=O)NCCCSC#N)c(=O)n2c1C	773587845	JVAARDKHRGQHOV-UHFFFAOYSA-N	322.415	1.707	50	20	DDGD	
CCOc1nc(C(=O)NNc2oc(C(C)C)nc2C#N)co1	772575745	AELMNRAEPWZSMX-UHFFFAOYSA-N	305.294	1.813	50	20	DDGD	
N#Cc1ccccc1COc1cccc(C=NNC(=O)CO)c1	776780433	HQBMTYAIULOCHT-UHFFFAOYSA-N	309.325	1.580	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(Cl)ccc1N	771934924	XBCGAHCNWKVHKF-SSDOTTSWSA-N	313.741	1.025	50	20	DDGD	
O=C(NNc1ccc(F)cc1Cl)[C@@H]1CC(=O)N(C2CC2)C1	885135930	PLJPSOVZUQAWOL-MRVPVSSYSA-N	311.744	1.933	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1OC	770587111	BIXGXUVTMWMBAB-PWSUYJOCSA-N	322.361	1.280	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)C(=O)Nc1ccc(Cl)cn1	773536141	ZNLZDJLLEHOXAI-UHFFFAOYSA-N	310.741	1.011	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccnc(O[C@H](C)CC)c1	887146587	DLMSWKXMXGCSOK-GFCCVEGCSA-N	303.362	1.823	50	20	DDGD	
CC(C)[C@H]1CCCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1	781986579	UYXXAAZPIDEVEJ-AWEZNQCLSA-N	321.396	1.955	50	20	DDGD	
CO[C@H]1CCC[C@H]1C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	1120734846	PHXVGNCYLCEUCI-KGLIPLIRSA-N	320.393	1.720	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)C2CC2)cccc1N1CCNC1=O	786309199	IKTYMOWWLSTSRS-UHFFFAOYSA-N	317.349	1.087	50	20	DDGD	
CC[C@@H](C)[C@@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	780248439	YXCDGTYTCPTJDR-CHWSQXEVSA-N	320.389	1.981	50	20	DDGD	
Cc1nnc(CCC(=O)NNc2c(F)cc(F)cc2F)o1	885153157	AYQGUAYJVHCUIZ-UHFFFAOYSA-N	300.240	1.871	50	20	DDGD	
CCOC(=O)NNC(=O)c1cnc(Br)c(OC)c1	788152906	YMCIMKXSBSDISH-UHFFFAOYSA-N	318.127	1.244	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1C[C@H]2CC[C@H]1[C@H](O)C2	884016983	JMWCIEXHIJVURL-FPMFFAJLSA-N	303.362	1.195	50	20	DDGD	
O=C(NNC(=O)N1CC[C@@H](C2CCCCC2)C1)c1cccnn1	883854076	XFKYVEYDSOYCGX-CYBMUJFWSA-N	317.393	1.733	50	20	DDGD	
CN(CC(=O)N1CCCC1)C(=O)/C(C#N)=C/c1ccc(F)cc1	785095293	SSIFJUSHTKXDKF-GXDHUFHOSA-N	315.348	1.813	50	20	DDGD	
CO[C@@H](C)CCC(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	782431803	KDLCTKLBLCOXJL-LBPRGKRZSA-N	322.361	1.114	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](CC)OC1CCCC1	785933369	SWHQUIOOVRGVKJ-JQWIXIFHSA-N	314.382	1.213	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2cccnc2)c1	780813176	KJDRDCIXVQWFDE-UHFFFAOYSA-N	300.318	1.695	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1ccnc(C)c1	789869080	JEPXYAJEFBVHJI-UHFFFAOYSA-N	315.329	1.239	50	20	DDGD	
C=CCC[C@H]1CCCN1C(=O)NNC(=O)Cc1cccnc1	1121865239	OLZYGRVCUSFILQ-AWEZNQCLSA-N	302.378	1.796	50	20	DDGD	
CC[C@H](O)[C@@H](C)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	899949371	UOLSWGZZUUWIBP-SCVCMEIPSA-N	312.341	1.147	50	20	DDGD	
N#Cc1ccc(NNC(=O)CSC[C@H]2CCCCO2)nc1	899662254	QDLQMPMLMCJTLK-GFCCVEGCSA-N	306.391	1.699	50	20	DDGD	
Cc1ccc(C[C@@H](CO)NS(=O)(=O)CBr)cc1	786133266	DQNVZUSQINWHOE-NSHDSACASA-N	322.224	1.170	50	20	DDGD	
CC[C@@H]1CCC[C@H](C=NNC(=O)Cc2cc(O)nc(O)n2)C1	783849399	LCCNEDAKULPOTH-MNOVXSKESA-N	306.366	1.749	50	20	DDGD	
O=C(CC1CCC2(CC1)OCCO2)NNC(=O)c1ccccn1	788086898	OBOXYMUFLXRSOT-UHFFFAOYSA-N	319.361	1.166	50	20	DDGD	
CCSc1ccc(CNCc2ccccc2B(O)O)cc1	895527385	YRSSRAJPVKGCNQ-UHFFFAOYSA-N	301.220	1.768	50	20	DDGD	
CCOc1ccc(N2CCN(C[C@H]3[C@@H](Cl)[C@@H]3C)CC2)nn1	895466363	RZNGRVJAIIQDTK-JMSVASOKSA-N	310.829	1.871	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)N[C@H](c1ccncc1)C1CC1	899008067	YIPSTUXVIUBTMH-AWEZNQCLSA-N	323.360	1.902	50	20	DDGD	
COc1coc(C(=O)OC[C@H](C)CBr)cc1=O	798673710	CBDRATIWJIPFBY-SSDOTTSWSA-N	305.124	1.836	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H]2CCC(F)(F)C2)c1	794861241	FNUWHMAQMKXKMD-LLVKDONJSA-N	312.316	1.957	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)NCC2(C#N)CC2)cc1	797580907	ILYMXGVTJUVEBJ-UHFFFAOYSA-N	316.365	1.392	50	20	DDGD	
Cc1ccc2c(c1)CC[C@H](C(=O)NNC(=O)c1ccccn1)O2	792764657	VNAOUBDNVZQCDD-OAHLLOKOSA-N	311.341	1.545	50	20	DDGD	
Cc1cccnc1NNC(=O)NNC(=O)c1cccc(C#N)c1	791018717	BZDNHANVFZTJRW-UHFFFAOYSA-N	310.317	1.233	50	20	DDGD	
CC[C@@H]1CC[C@@H](C)CC1=NNC(=O)[C@H]1CCS(=O)(=O)C1	797401072	ZLFFWBZBTGSTHY-UTUOFQBUSA-N	300.424	1.740	50	20	DDGD	
CC[C@H](C)C(=O)NN=Cc1c(Br)c(C)nn1C	790287567	SIKTYCBWHNJYJJ-ZETCQYMHSA-N	301.188	1.987	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNC(=O)COc1ccccc1F	791010165	PFLWNYFNRQTFOJ-LLVKDONJSA-N	307.325	1.337	50	20	DDGD	
Cn1cc(C(=O)CCC(=O)NNc2cc(Cl)ccn2)cn1	793782144	ASPRHNJVFACMLH-UHFFFAOYSA-N	307.741	1.575	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C[C@@H]2CCCOC2)c1	794906839	LNZUAILHUKESIE-LBPRGKRZSA-N	321.377	1.071	50	20	DDGD	
O=C(NCc1ccc(F)cn1)NNc1nc2ccccn2n1	790424431	FLFSTXMQGFJBMY-UHFFFAOYSA-N	301.285	1.090	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)Cc1noc(C)c1C#N	798313525	OOTHVAXXAMJTGT-UHFFFAOYSA-N	313.317	1.559	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccc(OC)c(OCCCC#N)c1	1318966318	TWMARBYDCFLIQF-UHFFFAOYSA-N	319.317	1.001	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc2nc(S)oc2c1	1318845903	OHPKEVOOKGAILL-UHFFFAOYSA-N	310.404	1.634	50	20	DDGD	
CCNc1ncc(C(=O)NNC(=O)c2ccc(OC)cc2)s1	1319879148	KSFDIZLHYIAZAJ-UHFFFAOYSA-N	320.374	1.658	50	20	DDGD	
CC[C@@H]1CCN(C(=O)C(=O)NC[C@]2(C)C[C@@H]2Br)C1	1328548721	VENSHBPFCWHRHH-NRUUGDAUSA-N	317.227	1.535	50	20	DDGD	
CN(NC(=O)CSc1ccc(Br)cc1)C(N)=O	1320143640	TUUMZMGHTAFDQV-UHFFFAOYSA-N	318.196	1.583	50	20	DDGD	
COC(=O)C(=O)NN=C1CCOc2c(Cl)ccc(Cl)c21	1330774757	RFCIJQXFLTZBQQ-UHFFFAOYSA-N	317.128	1.769	50	20	DDGD	
CC1(C)C[C@@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CCO1	1335536386	BPEBRGRMFGUREU-JTQLQIEISA-N	320.393	1.255	50	20	DDGD	
CCOc1cc(C(=O)NC[C@]2(C)C[C@@H]2Br)[nH]n1	1334841315	MUWBPONTSYHTFC-KWQFWETISA-N	302.172	1.712	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)c2ccc(C#N)cc2)c(C)n1	1262605939	UNIBXGHSRNTUGT-UHFFFAOYSA-N	311.345	1.548	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@]1(F)CCOC1	1352228357	JUFCSUNJBBJLEN-ZDUSSCGKSA-N	300.261	1.184	50	20	DDGD	
O=C(O)Cc1occc1C(=O)NNCC(F)(F)C(F)(F)F	1602155404	QZFFWRYGTFIJBW-UHFFFAOYSA-N	316.182	1.339	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)cccc1C(=O)O	1600055989	ROEOOEHTFRSXJB-VHRBIJSZSA-N	320.345	1.188	50	20	DDGD	
O=C(O)C(=O)NN=C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	1608530917	MNMWLJVERWYIGY-OKILXGFUSA-N	301.346	1.370	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)Cn2cc(Cl)cn2)cc1	1608780842	GOVAHLCJQQEPOI-UHFFFAOYSA-N	308.725	1.307	50	20	DDGD	
O=C(NC[C@H](C(=O)O)[C@H]1CCOC1)c1cccc(CCl)c1	1601457458	UXSQKXACRKMKBT-STQMWFEESA-N	311.765	1.893	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)c2cc[nH]n2)ccc(F)c1C(=O)O	1607546826	ROROGRKIUKDOHZ-UHFFFAOYSA-N	321.268	1.022	50	20	DDGD	
CC(=O)CSCC(=O)NNc1ccc(C(=O)O)cc1F	1609573358	VOZYDGSDEOEGOA-UHFFFAOYSA-N	300.311	1.289	50	20	DDGD	
O=C(CCc1ccncn1)NNc1ccc(C(=O)O)c(Cl)c1	1608320009	FDTUGCJVBIHKIE-UHFFFAOYSA-N	320.736	1.904	50	20	DDGD	
O=C(NN=C1CCc2ccc(-c3nn[nH]n3)cc21)c1ccncc1	1609557286	GTUNFIAXBAAQGH-UHFFFAOYSA-N	319.328	1.342	50	20	DDGD	
Cc1c(NNC(=O)[C@H](C)Cc2cnc[nH]2)cccc1C(=O)O	1600050300	CDNPSRYTUNRQGR-SECBINFHSA-N	302.334	1.738	50	20	DDGD	
CC(CCN(C)C)=NNC(=O)[C@H]1CCCO[C@H]1c1ccnn1C	1549322604	ZMZIFANVQQRJNJ-DZGCQCFKSA-N	321.425	1.332	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=C[C@H]1CCCO[C@H]1c1ccnn1C	1552763071	PKQWDKWMQWWPHU-AYRXBEOTSA-N	320.393	1.415	50	20	DDGD	
CO[C@@H](CN)C(=O)NNc1c(C)cccc1Br	1579111231	VIEPAHKLHIYVLP-VIFPVBQESA-N	302.172	1.174	50	20	DDGD	
Cc1cc(C)c(NNC(=O)C2=NOC3(CCNCC3)C2)c(C)c1	1579577289	NJSYVZSMRAWCGZ-UHFFFAOYSA-N	316.405	1.953	50	20	DDGD	
Cc1cc(N)cc(NC(=O)NNC(=O)c2ccc(C#N)cc2)c1	1579621346	MGNYVLVORXTSNJ-UHFFFAOYSA-N	309.329	1.915	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2[C@@H](CN)C2(F)F)c1	1579768082	ODOAQJZQKUEDNH-NXEZZACHSA-N	314.361	1.153	50	20	DDGD	
Cn1nc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1Cl	1592592758	CUMPGLHYFITZHR-UHFFFAOYSA-N	318.728	1.011	50	20	DDGD	
Cc1cc(Cl)nc(C(=O)NNc2ncccc2C(=O)O)c1	1594309493	YECSGHKGVQENEM-UHFFFAOYSA-N	306.709	1.894	50	20	DDGD	
O=C(O)[C@@H](C(=O)NNc1ccc([N+](=O)[O-])cc1)C1CCCC1	1594835358	GEVWRVMNYTYXJN-GFCCVEGCSA-N	307.306	1.929	50	20	DDGD	
CC[C@@H](C)[C@@H](NNC(=O)c1ccc(OC)cc1OC)C(=O)O	1594922415	ZFNAKLQZPADIFT-NOZJJQNGSA-N	310.350	1.438	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)NC(C1CC1)C1CC1	1593164400	GCQOITBWUJYQTK-UHFFFAOYSA-N	314.353	1.076	50	20	DDGD	
N#Cc1cccc(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)c1	1592702348	RNWZQPUFMQJQFS-UHFFFAOYSA-N	317.312	1.502	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2cnccc2-c2nn[nH]n2)c1	1592172916	IVMGBPBBZSGWTP-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
COC1(C(=O)NNc2ccc(C(=O)O)cn2)CCCCCC1	1599063543	PGMZZRIUEHKGQN-UHFFFAOYSA-N	307.350	1.962	50	20	DDGD	
CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](Cl)CC)C[C@@H]21	1786401518	ONVUMPUZECJYLD-RVMXOQNASA-N	316.829	1.394	50	20	DDGD	
COC(=O)c1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)oc1C	17700364	MMRRWZACAUFDQN-BCMYLCSRSA-N	318.329	1.577	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)N[C@H]1CCN(CC2CC2)C1	160698775	BQDXDGAZTBNBQC-ZDUSSCGKSA-N	319.365	1.705	50	20	DDGD	
O=C(NC[C@@H]1CCCO1)NNC(=O)c1nc2ccccc2s1	164074379	XZXSPLMQPLLTJS-VIFPVBQESA-N	320.374	1.419	50	20	DDGD	
N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)NNc1ncnc2ccsc12	151492700	KWJYYCWRTREUMJ-HLFFCZDVSA-N	303.391	1.508	50	20	DDGD	
CCC[C@@H](C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)C(C)C	152680263	ZJYVPNUKWPGINE-CHWSQXEVSA-N	304.456	1.551	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cc2ccccc2o1	156112678	DJLMGPKAVKKIQO-UHFFFAOYSA-N	317.345	1.499	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CONC(=O)OC(C)(C)C	908224271	TVECYOPCBJMXIW-UHFFFAOYSA-N	301.170	1.705	50	20	DDGD	
COC[C@@](C)(O)CNS(=O)(=O)c1ccc(CCl)cc1	394595471	JZCVWQYPOVWMNF-LBPRGKRZSA-N	307.799	1.101	50	20	DDGD	
CCCCC(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	10529842	NDZLSVFTADHWOD-UHFFFAOYSA-N	323.305	1.089	50	20	DDGD	
CC(C)COc1ncccc1C(=O)NNC(=O)c1cccn1C	103064531	NZUACVKZXIJSFN-UHFFFAOYSA-N	316.361	1.530	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)CCc2ccccc2)c(=O)[nH]1	102838256	DCNJGPRLUSJBSC-UHFFFAOYSA-N	313.357	1.386	50	20	DDGD	
COc1ccc(C)cc1CC(=O)NNC(=O)NCc1ccco1	65177154	AKGABEJFTLJIQT-UHFFFAOYSA-N	317.345	1.670	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12	103198206	NPGHIENHCMNAIB-UHFFFAOYSA-N	319.321	1.668	50	20	DDGD	
Cc1nc(NC(=O)NNC(=O)Cc2ccc(F)cc2)oc1C	65774955	FNQFVLIWNIZWDR-UHFFFAOYSA-N	306.297	1.826	50	20	DDGD	
O=C(CCn1ccccc1=O)NNc1ccnc2ccccc12	106923748	PGGBUPCTGSNCQF-UHFFFAOYSA-N	308.341	1.930	50	20	DDGD	
CCN1CCN(CCC(=O)NNc2cccc(Cl)c2)CC1	171245001	WKUGMSMYHZDYKR-UHFFFAOYSA-N	310.829	1.811	50	20	DDGD	
COc1cccc([C@H](C)C(=O)NNc2ncnc3nc[nH]c23)c1	173958613	OTRRLMXOMCMILU-VIFPVBQESA-N	312.333	1.608	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(C)nc2c1c(C)nn2C	64425679	VPNQYQSVCUUHKJ-UHFFFAOYSA-N	318.381	1.329	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)COc1ccc(C#N)cc1	66307059	KDFJKBSCYXANBE-GFCCVEGCSA-N	317.345	1.066	50	20	DDGD	
O=C(NCc1ccccc1-n1cccn1)NNc1ncccn1	65510132	URFSPMWASGAQTB-UHFFFAOYSA-N	309.333	1.489	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccccc1OC(C)C	110761941	YWRRSPYEUPDEHM-UHFFFAOYSA-N	302.334	1.580	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNc1nccnc1Cl	114897042	RZCSVAFUMOAVNT-UHFFFAOYSA-N	311.754	1.065	50	20	DDGD	
COc1cc(C)nc(NNC(=O)/C=C/c2ccccc2C#N)n1	174492020	OBMFKPZGAGKXMK-BQYQJAHWSA-N	309.329	1.822	50	20	DDGD	
CC1(C)C[C@H](NC(=O)NNC(=O)Cc2ccccc2F)CCO1	125233801	XRDBJPDWCZXRSN-GFCCVEGCSA-N	323.368	1.656	50	20	DDGD	
COCC(=O)NN[C@@H](C(=O)N1CCCCC1)c1ccccc1	126080096	KVIBFSRRPUFLIO-OAHLLOKOSA-N	305.378	1.007	50	20	DDGD	
O=S(=O)(CCCCCl)NC[C@@H](O)c1ccccc1F	184430961	CDWOSIJKMVJDRG-GFCCVEGCSA-N	309.790	1.798	50	20	DDGD	
C[C@H](OC1CCCCCC1)C(=O)NNC(=O)Cc1ccncc1	121988440	VQZOKXWOWVIVPU-ZDUSSCGKSA-N	319.405	1.899	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)Cc2cccnc2)c(C)c1	184800140	WHOGRFDCKHLBHV-UHFFFAOYSA-N	314.345	1.794	50	20	DDGD	
CC(C)C[C@@H](C)CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	76710559	OCZCYJLZDHTZIF-OLZOCXBDSA-N	304.456	1.551	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)Cc2ccncc2)CC[C@H]1C	186964932	BWPZMRQVHQKBIF-MBNYWOFBSA-N	304.394	1.779	50	20	DDGD	
Cc1coc(-c2cc(NC(=O)NNC(=O)CO)ccc2C)n1	183209401	KUMMHQAQBAMRGC-UHFFFAOYSA-N	304.306	1.103	50	20	DDGD	
O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NNc1ncccn1	129899426	RFNNOBYBKYDQTA-UHFFFAOYSA-N	312.289	1.552	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(F)c(C)c2)o1	129677804	OBLZPPXAZNFIPI-UHFFFAOYSA-N	319.292	1.435	50	20	DDGD	
CC1=NN(c2ccc(C(=O)NNc3ncc(F)cn3)cc2)CC1	123241974	PKFAGIBDHVSALQ-UHFFFAOYSA-N	314.324	1.959	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccc(SC(F)(F)F)cc1	75653424	SPODPVNQNFYFMC-UHFFFAOYSA-N	321.324	1.621	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2c[nH]c3ccccc23)n1	126111103	WGPWGILZUYJDAD-UHFFFAOYSA-N	311.345	1.442	50	20	DDGD	
Cc1cnccc1NC(=O)NNC(=O)CCc1ccccc1O	183448474	SULLPMXWPLDMPK-UHFFFAOYSA-N	314.345	1.881	50	20	DDGD	
CCc1onc(C)c1NC(=O)C(=O)NNc1ccccc1F	137248269	GXBWBSXGTCBOBS-UHFFFAOYSA-N	306.297	1.766	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2ccc(F)cn2)cc1	182385270	RTUKVEVGDGFYRY-UHFFFAOYSA-N	317.320	1.623	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(COC(C)C)cc1	45293179	MQHPIBLLVSIZBN-UHFFFAOYSA-N	307.419	1.907	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(OC)ccc1OC(F)F	47922488	GRLUWGOXJXCLNC-UHFFFAOYSA-N	305.237	1.689	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCCn2cccn2)cc1	79158154	PPEFFAOFUAFXTP-UHFFFAOYSA-N	315.377	1.480	50	20	DDGD	
CCS(=O)(=O)CCNC(=O)/C(C#N)=C\c1ccc(F)cc1	182620707	LWCZRRBDFYNJBQ-XFXZXTDPSA-N	310.350	1.284	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](C)Cc2c(C)noc2C)o1	84160234	WTXQCWRRIJTKCQ-MRVPVSSYSA-N	320.349	1.768	50	20	DDGD	
O=C(CCCCc1c[nH]nn1)NNc1ccc([N+](=O)[O-])cc1	139547835	TVUVYIFARUVVPD-UHFFFAOYSA-N	304.310	1.569	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1cc2occc2[nH]1	132913419	RAXWQKMWRYEUAS-UHFFFAOYSA-N	301.277	1.904	50	20	DDGD	
C[C@H](CC1CCCCC1)NC(=O)NNC(=O)c1cnn(C)c1	194617356	RHXXCVXDMWGETB-LLVKDONJSA-N	307.398	1.723	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cnn(C)c1)[C@@H]1C[C@H]2CC[C@H]1C2	246626457	CKEHSRILBILUEN-ZPFDUUQYSA-N	305.382	1.189	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)C[C@@H]1CSCCS1	269786535	XISQLPVIKOOSCS-LLVKDONJSA-N	311.432	1.010	50	20	DDGD	
COc1ccc(O[C@@H](C)CNC(=O)NNC(=O)CC(C)C)cc1	266548615	LEKOXJRNNBTWPD-LBPRGKRZSA-N	323.393	1.839	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)NC2CCC2)c1C	265799649	MZTGQQVYQMJZKD-GFCCVEGCSA-N	305.378	1.954	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@]2(C)CCN(C(C)=O)C2)cc1	369986867	QBCZPQOLBDGVEJ-KRWDZBQOSA-N	317.389	1.269	50	20	DDGD	
CCN(CCNC(=O)NNC(=O)C1CCC1)c1cccc(C)c1	264710970	JCDMDXRTRJWKNA-UHFFFAOYSA-N	318.421	1.952	50	20	DDGD	
CCCCN1C(=O)C[C@@H](C(=O)NN)[C@H]1c1ccc(OC)cc1	368432859	GHTZTHDIDFBZDO-UKRRQHHQSA-N	305.378	1.375	50	20	DDGD	
Cc1cnc(Cl)c(NC(=O)C(=O)NNC(=O)C(C)(C)C)c1	276371007	NDFRXCVNGIZAFT-UHFFFAOYSA-N	312.757	1.175	50	20	DDGD	
O=C(CSc1nncs1)NNc1nnc(C2CC2)s1	273627391	PLBMCSDFZRPBGZ-UHFFFAOYSA-N	314.421	1.502	50	20	DDGD	
CCc1nnsc1C(=O)NNc1ccc(C(=O)OC)cn1	270410644	ZSVYKVXYGPEWAS-UHFFFAOYSA-N	307.335	1.039	50	20	DDGD	
C[C@H]1Oc2ccccc2[C@H]1NC(=O)NNC(=O)c1ccc[nH]1	365814739	SJCOAGPBYRJANA-RNCFNFMXSA-N	300.318	1.481	50	20	DDGD	
Cc1nccn1CCCCNS(=O)(=O)CBr	272841531	TXGVYEKBXCBBFF-UHFFFAOYSA-N	310.217	1.244	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(F)c1	274244308	YIYTZUJUAKCCBF-UHFFFAOYSA-N	315.732	1.611	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2ncn(C)n2)cc1	271186393	JPDVQDLCRAQEIU-MDWZMJQESA-N	311.345	1.437	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)N1CCN(C)CC1)c1cccc(F)c1	278715721	UABRLDBTKSXTOP-GFCCVEGCSA-N	322.384	1.308	50	20	DDGD	
Cc1nnc(COCC(=O)NNc2ncccc2Cl)s1	287305580	CHVMEZKODNXUFH-UHFFFAOYSA-N	313.770	1.555	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@]12CCOC2)Nc1ccc(Cl)cc1	374703637	RUGAOEYOPVAOFU-BXUZGUMPSA-N	309.753	1.919	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)[C@H]1COCCN1C1CCCC1	287883979	DUAXJEYTACPWMK-CYBMUJFWSA-N	324.812	1.822	50	20	DDGD	
CSSCCNC(=O)N1CCOC[C@@H]1[C@H]1CCCO1	376418965	DEUBFIJUIAQLJW-GHMZBOCLSA-N	306.453	1.587	50	20	DDGD	
CCOCC1(C(=O)NNc2nnc(-c3ccccn3)s2)CC1	282131067	BLGIGJSNWGKZJK-UHFFFAOYSA-N	319.390	1.860	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C1CCN(CC(F)F)CC1	288655205	SDURYHXMYKZFOL-UHFFFAOYSA-N	302.300	1.641	50	20	DDGD	
Cc1nccn1CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	297305821	FLICBBBJPGLCNT-UHFFFAOYSA-N	316.405	1.555	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)C(=O)c1ccc(O)cc1	806725115	FDRHDXAHTIVOBU-UHFFFAOYSA-N	312.325	1.355	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCc2cc(F)cc(C)c2C1	800472359	MOLXLBBYCHOIGN-NSHDSACASA-N	307.369	1.438	50	20	DDGD	
CC(C)c1nn(C)cc1C(=O)NNC(=O)c1ccc(C#N)cc1	299432791	QLYFGADFLSACBN-UHFFFAOYSA-N	311.345	1.490	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)CCn2ccc3ccccc32)O1	294029792	XKADVHYLHDSOAZ-WFASDCNBSA-N	315.373	1.746	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccc(Cl)c2ncccc12	801219695	OPFNKNZVPDODDP-UHFFFAOYSA-N	307.737	1.420	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1nc(C2CC2)cs1	807033657	XSUMCAGCTVMPNU-UHFFFAOYSA-N	317.374	1.806	50	20	DDGD	
CC(=O)N/C(=C\c1ccccc1)C(=O)NNc1cccc(F)n1	804773654	YZIIPGVGGQCSSL-RAXLEYEMSA-N	314.320	1.841	50	20	DDGD	
N#CCCCC(=O)NNc1nc(Br)cn2ccnc12	292040644	FTJTVYPPVMPVJY-UHFFFAOYSA-N	323.154	1.629	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CC2CC2)cc1OC	294042662	FBRVJQVVIIRBLO-UHFFFAOYSA-N	306.362	1.584	50	20	DDGD	
CCc1nnsc1C(=O)NNC(=O)Nc1ccc(OC)cc1	802062314	INHJBCGVBVTLHT-UHFFFAOYSA-N	321.362	1.576	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1occc1Br	295657171	VOQBZUMLPXXLDQ-QMMMGPOBSA-N	317.139	1.372	50	20	DDGD	
CCn1cc([C@H](C)NC(=O)NNc2ccc(OC)cn2)cn1	297447593	QGNYLYAEMWFNHE-JTQLQIEISA-N	304.354	1.694	50	20	DDGD	
COc1ccc([C@@H](C)NC(=O)NNc2nccc(OC)n2)cc1	299449931	NQDHERTXPAMKAX-SNVBAGLBSA-N	317.349	1.881	50	20	DDGD	
O=C(Cc1cc(Cl)c2c(c1)OCCO2)NNC(=O)CC1CC1	294215741	QFLTYOGZITVMJZ-UHFFFAOYSA-N	324.764	1.601	50	20	DDGD	
CCOC1(C)CCN(C(=O)NNC(=O)c2ccccc2)CC1	292512357	UFHVJUXFYBFNTH-UHFFFAOYSA-N	305.378	1.932	50	20	DDGD	
Cn1cnc2c(C(=O)NNC(=O)CCc3ccccc3)ccnc21	805170972	AIDMOFRPNMPCKF-UHFFFAOYSA-N	323.356	1.362	50	20	DDGD	
CC(C)c1scnc1NC(=O)NNC(=O)c1cnccn1	808914663	MBZDNVWEFZSSRP-UHFFFAOYSA-N	306.351	1.523	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@H]2CCCCO2)ccc1N(C)C	296292823	IVFLEEJWPRLFDZ-CQSZACIVSA-N	320.393	1.783	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N(C)[C@H](C)C(=O)O)cc(C#N)n1C	818772699	KHBHQNZSUVMHCJ-STCRIKGOSA-N	300.318	1.044	50	20	DDGD	
CC(=O)Nc1cccc(CNC(=O)NNc2ncncc2F)c1	814280287	DBINQLXZNWCVAB-UHFFFAOYSA-N	318.312	1.400	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)NOC/C=C\Cl	811983133	JBHHLVXOMAZQDF-DAXSKMNVSA-N	319.770	1.400	50	20	DDGD	
CCc1nc(C=NNC(=O)N=c2cc[nH]cc2)c2ccccn12	815000194	HLBQAPWSBVMEDG-UHFFFAOYSA-N	308.345	1.869	50	20	DDGD	
COCCOc1cccc(NC(=O)NNc2ncncc2F)c1	814611502	RQWWDUHZFSKHNZ-UHFFFAOYSA-N	321.312	1.790	50	20	DDGD	
Cn1cc(C=NNC(=O)Cc2cc[nH]n2)c(-c2ccccc2)n1	814956680	ACUHBGSCBIYEGH-UHFFFAOYSA-N	308.345	1.503	50	20	DDGD	
COCCOCCC(=O)NNc1ccc(C)c(C(=O)OC)c1	816688226	IURJJMDOJJPQQX-UHFFFAOYSA-N	310.350	1.278	50	20	DDGD	
N#Cc1ccsc1NC(=O)C(=O)NNc1cc(Cl)ccn1	815601845	GSCONOUPEIRNAA-UHFFFAOYSA-N	321.749	1.750	50	20	DDGD	
Cc1nc(C=NNC(=O)COc2ccccc2O)c2ccccn12	814952855	OAYPQGGMVHETKR-UHFFFAOYSA-N	324.340	1.877	50	20	DDGD	
CS(=O)(=O)Cc1ccc(C(=O)NCC(Cl)Cl)o1	816605904	QPLLDQSQMWSEIT-UHFFFAOYSA-N	300.163	1.358	50	20	DDGD	
CC[C@@H](CS(=O)(=O)NNC(=O)c1ccc(Cl)cc1)OC	817348161	HSIRNASCQUKGEX-NSHDSACASA-N	320.798	1.329	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CC2CCC1CC2	814315363	WBPBCYAJXUHJSS-XIVSLSHWSA-N	309.410	1.265	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)COc1ccc(C)c(C)c1	812444470	AKAHGNANLUTGED-UONOGXRCSA-N	322.405	1.748	50	20	DDGD	
O=C(CN1CCCCC1=O)NNc1ccc(F)c(F)c1F	728715637	REKJQWATCLCEFM-UHFFFAOYSA-N	301.268	1.560	50	20	DDGD	
Cc1nnc(S)n1CCNC(=O)[C@]1(C)C[C@H]1Br	825295845	SNVTZJRJDPLAJF-GMSGAONNSA-N	319.228	1.165	50	20	DDGD	
CCOC(=O)COc1cccc(C(C)=NNC(=O)CN(C)C)c1	727647874	LULLSGPQSOIELB-UHFFFAOYSA-N	321.377	1.030	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)Cc2cccnc2)cc1	728800099	YGDGXQBNPCDGER-UHFFFAOYSA-N	300.387	1.950	50	20	DDGD	
COC(=O)c1ccc(CC(=O)NNC(=O)C2CCCC2)cc1	822474100	GWDWMCZINNXSHZ-UHFFFAOYSA-N	304.346	1.353	50	20	DDGD	
O=C(NNS(=O)(=O)c1cc2cc(F)ccc2o1)C1CCC1	829847513	IUUMQTPJBNYMNS-UHFFFAOYSA-N	312.322	1.682	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H](C)COc1ccccc1	825848118	XGAJJTVZYDTQPW-DYEKYZERSA-N	321.377	1.209	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccncc2)c2c(C)n[nH]c2n1	726929462	FKOJYNALRPWVQW-UHFFFAOYSA-N	310.317	1.045	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1COCc2ccccc21	827177676	MKBNPDDXJBQIJJ-VHRBIJSZSA-N	319.361	1.013	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC(C)(C)OC(C)(C)C1	827275030	RNJGHACHBDVPEZ-MNOVXSKESA-N	313.398	1.042	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1cnn(C(C)(C)C)c1	494436412	YICFWEZUNPMTPG-UHFFFAOYSA-N	323.397	1.613	50	20	DDGD	
CCOC(=O)[C@H](CC1CC1)NC(=O)/C(C#N)=C/c1cnn(C)c1	826817892	HMBKIAXPYTYFQX-BLXFFLACSA-N	316.361	1.175	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)[C@H]2CCCCO2)CCOc2ccccc21	820941681	AJQMFCIGNUOXQQ-RHSMWYFYSA-N	318.373	1.443	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1cc(-c2nn[nH]n2)cs1	823280621	DRCPZJCEYOWOPX-UHFFFAOYSA-N	321.753	1.155	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2cc(C(F)(F)F)ccn2)CO1	827618987	VLPFEIFUBSKAKX-APPZFPTMSA-N	304.272	1.904	50	20	DDGD	
C[C@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)OC1CCCC1	491101822	GEYRSNVXFZDRNX-DELQEKLWSA-N	316.361	1.318	50	20	DDGD	
O=C(/C=C/c1ccc2c(c1)OCO2)NNc1ncncc1F	492793040	CHVZZPBMMNGPOS-DUXPYHPUSA-N	302.265	1.501	50	20	DDGD	
CCN(CCO)NC(=O)C1CCN(Cc2ccccc2)CC1	823852677	MTIVSOWUPFGNFO-UHFFFAOYSA-N	305.422	1.244	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(Cl)ncc1F	820935982	FBRKQECUIYHHCW-SECBINFHSA-N	301.705	1.204	50	20	DDGD	
CCn1cc(NC(=S)NNC(=O)c2ccccc2C)cn1	726123798	QNJJCLQHSOPNQG-UHFFFAOYSA-N	303.391	1.843	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1c(C)ccc(C(=O)OC)c1O	490941297	KSJXUGDJLOTCLL-CSKARUKUSA-N	304.302	1.870	50	20	DDGD	
OB(O)c1ccc(-c2noc(C3CCC(F)(F)CC3)n2)cc1	585050887	OUOJRBUMGPBSFE-UHFFFAOYSA-N	308.093	1.709	50	20	DDGD	
CCC1(CC)[C@@H](OC)C[C@H]1N(C)C(=O)c1ccc(B(O)O)cc1	584963026	OITDFBCYXQZBLC-CABCVRRESA-N	319.210	1.032	50	20	DDGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2cnccn2)c1C	734255782	LGTWKWZQXUNPNJ-UHFFFAOYSA-N	321.344	1.702	50	20	DDGD	
CCC(C)(C)[C@@H]1CCCN1C(=O)c1cc(B(O)O)ccc1F	584965958	WVFCHAKWTUEFLS-AWEZNQCLSA-N	307.174	1.546	50	20	DDGD	
CC(=O)N1CCC(C(=O)NNc2cnnc3ccccc23)CC1	733810627	SCRBTDMQPGROOH-UHFFFAOYSA-N	313.361	1.331	50	20	DDGD	
COc1ccccc1OCCNC(=O)NNc1ccc(F)cn1	731358214	JENDGPIBNUCAMU-UHFFFAOYSA-N	320.324	1.934	50	20	DDGD	
COc1ccc2c(c1)C[C@@H](C(=O)NNC(=O)C1CCC1)CO2	732140631	GOXKVHPKOIKSAF-GFCCVEGCSA-N	304.346	1.194	50	20	DDGD	
C=CCNc1nnc(S[C@@H](C)C(=O)NNC(=O)CC)s1	735412605	FWBOBLKKGNRKHO-ZETCQYMHSA-N	315.424	1.174	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccc(C(=O)OC)cc1F	901416158	AMWVXLXGQIEPPI-GHXNOFRVSA-N	307.277	1.709	50	20	DDGD	
CCC1(Cn2cc(C(=O)NNc3cccc(F)c3)nn2)COC1	830776184	AQRYIFGVVBGRAE-UHFFFAOYSA-N	319.340	1.601	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cccc(C#N)c1)C1CC(C)(C)C1	839191260	FPKJSLSEKBKZRH-UHFFFAOYSA-N	314.389	1.440	50	20	DDGD	
COCC[C@H](C)NC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836269143	ZOAQETFAFDZFRB-VIFPVBQESA-N	324.337	1.176	50	20	DDGD	
Cc1nc(NC(=O)NNc2nc(-c3cccnc3)no2)oc1C	732232456	CYMASLYIZHUMSC-UHFFFAOYSA-N	315.293	1.885	50	20	DDGD	
Cc1cnc(C=NNC(=O)[C@H](C)CN2C[C@@H](C)O[C@H](C)C2)s1	834935822	WRAZICCVKJMFOC-IJLUTSLNSA-N	324.450	1.647	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)nc1F)NC1CCCC1	906438919	QSVMGKQIDXUNGB-UHFFFAOYSA-N	300.721	1.761	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NN=C1CCNC(=O)CC1	834977062	JRNNZAADAVEHKE-SNVBAGLBSA-N	323.780	1.880	50	20	DDGD	
CCOC(=O)[C@@H]1CCCN(C(=O)[C@@]2(C)C[C@H]2Br)C1	905068509	FHQFMRFMSJESCV-BREBYQMCSA-N	318.211	1.962	50	20	DDGD	
C[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]2CCCC[C@H]12	584929205	OOVHMLVSQJYXDV-DAXOMENPSA-N	301.195	1.407	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cnc2c(c1)CCCC2	831625926	LLBRJIAYVPEXQQ-GWCFXTLKSA-N	318.377	1.538	50	20	DDGD	
C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2ccc(B(O)O)c(F)c2)o1	584931613	BRSDUEOMSDDURK-BXKDBHETSA-N	317.125	1.152	50	20	DDGD	
CC[C@H](C)NC(=O)CCNC(=O)[C@]1(C)C[C@H]1Br	906287880	OCCOKNXWCLBVQD-YGOYTEALSA-N	305.216	1.581	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)c2ccccc2n1	907955172	YUUZHUMQMPORRW-XFBWCDHKSA-N	323.352	1.529	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2COc3ccccc3C2=O)C[C@H]1Br	907146886	NPFXWXPOLLPYIZ-UDZFHETQSA-N	324.174	1.920	50	20	DDGD	
CCC[C@@H](C=NNC(=O)COc1ccccc1[N+](=O)[O-])OC	834928541	YMUGOEUOLJRCAS-NSHDSACASA-N	309.322	1.891	50	20	DDGD	
C=CC[C@H](NC(=O)NNC(=O)[C@H]1CCCCO1)c1ccncc1	838478132	TULYIIFUKBJCOB-UONOGXRCSA-N	318.377	1.598	50	20	DDGD	
CCO[C@@H]1COC[C@H]1NC(=O)NNc1cc(F)c(F)cc1F	838719628	PZKGVAXNKHYUOV-VXGBXAGGSA-N	319.283	1.534	50	20	DDGD	
O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@H](B(O)O)C1	585077331	RBEVNQQILYCOEA-VIFPVBQESA-N	304.067	1.030	50	20	DDGD	
CCCNC(=O)NNC(=O)CCOCc1ccc(OC)cc1	736072856	WDEZYLWEMWUQDA-UHFFFAOYSA-N	309.366	1.342	50	20	DDGD	
CO[C@@H]1CCCCC1=NNC(=O)COc1ccc(C#N)cc1	915943350	AKBVHHIVUXFGHF-OAHLLOKOSA-N	301.346	1.998	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cc(C2CC2)ccn1	831822896	QDZBQLXLJOJXGC-JOYOIKCWSA-N	304.350	1.537	50	20	DDGD	
CC[C@@H]1COCCN1CCNC(=O)[C@@]1(C)C[C@@H]1Br	913809755	UZZPMABHCIESPN-MDZLAQPJSA-N	319.243	1.387	50	20	DDGD	
CC(C)COC(=O)N1CCCN(S(=O)(=O)CCl)CC1	830330943	JWJFAYLPPHPAIM-UHFFFAOYSA-N	312.819	1.313	50	20	DDGD	
O=C(C[C@H]1CCC(=O)N1)NNc1ccc([N+](=O)[O-])cc1Cl	830810770	UHZNOOQTQCANSQ-SSDOTTSWSA-N	312.713	1.360	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CC(F)(F)F)c(C)c1	918364756	UEAPOWGMPJEONH-UHFFFAOYSA-N	304.268	1.782	50	20	DDGD	
O=C(NCCn1cncn1)NNC(=O)c1cccc2ccccc12	743626536	LBEGDHGCANURIP-UHFFFAOYSA-N	324.344	1.076	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NN=C1CN2CCC1CC2	915049551	PRBYPVBMEMLOIV-LLVKDONJSA-N	305.353	1.791	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1csc(C2CC2)n1	740762172	DJNPORWRLKDSDF-UHFFFAOYSA-N	308.407	1.775	50	20	DDGD	
N#Cc1cccc(NNC(=O)CNC(=O)Nc2ccccc2)c1	748040948	GWQXBXGQZRZJIM-UHFFFAOYSA-N	309.329	1.823	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NN=C1CN2CCC1CC2	915049147	KJGUCHCVWWEVRG-UHFFFAOYSA-N	318.333	1.171	50	20	DDGD	
O=C(NNc1cccc2cnccc12)C1(C(=O)NC2CC2)CC1	748769667	QANWZSQXMFRLST-UHFFFAOYSA-N	310.357	1.737	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@@H]2CCOC2=O)cc1	916595403	HFTZGLZPWURXLZ-FWLQQBITSA-N	301.298	1.851	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cncn1-c1ccc(F)cc1	916124429	JFTAMTCXFIMLTN-UHFFFAOYSA-N	319.365	1.306	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c1F	845438292	MKDFLUGTTXNGKP-FXAINCCUSA-N	323.324	1.558	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@H]2CCCCN2C)c1	843870859	QVHLUUMFGYXYPK-CQSZACIVSA-N	319.409	1.708	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCC(C2CC2)C2CC2)n1	746772184	KYAGQTYWFIDXCV-UHFFFAOYSA-N	305.382	1.856	50	20	DDGD	
C[C@@H](NC(=O)NN)c1cc2c(cc1Br)OCCO2	841720059	GTGYNQCLRVSWTD-ZCFIWIBFSA-N	316.155	1.454	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CCC(C)=C(C)C1	843805878	RMKDVLUPSZMUCS-LBPRGKRZSA-N	309.410	1.575	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H]2CCCN2C(=O)C2CC2)c1	843834539	KPIOHQOUSNAWQW-AWEZNQCLSA-N	321.352	1.678	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=Cc1cc(C)n(C)n1	841608348	CDPJHEFJJJDQMJ-UHFFFAOYSA-N	324.388	1.791	50	20	DDGD	
O=C(NNC(=O)[C@@H](C[C@@H]1CCCO1)C(F)(F)F)C1CCC1	845481684	CNBSNAIBYQLPLV-VHSXEESVSA-N	308.300	1.682	50	20	DDGD	
CC(C)(C)c1nc(C(=O)NNC(=O)c2ncccn2)cs1	841355145	YRQACHPDQFIPGU-UHFFFAOYSA-N	305.363	1.305	50	20	DDGD	
O=C(NCCCNC1CC1)NNC(=O)c1cc2ccccc2o1	841918155	UCNMSBQYZOKLGR-UHFFFAOYSA-N	316.361	1.519	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cccc(-c2ccccn2)c1	747755555	PVUZNGORLZTEFG-UHFFFAOYSA-N	310.357	1.723	50	20	DDGD	
O=C(NNc1cccc(F)n1)C1CCN([C@H]2CCSC2)CC1	848069021	PPBZEBREVXTAOX-LBPRGKRZSA-N	324.425	1.881	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C1CCC1)c1nc(C(C)(C)C)no1	745920883	ZJODNLHDBPGRSR-MRVPVSSYSA-N	309.370	1.559	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C	840301266	RHBPVKLNRKPIAZ-SNVBAGLBSA-N	317.345	1.297	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc2ncccc2c1	740762314	KTOQFQIFROPHKH-UHFFFAOYSA-N	312.373	1.990	50	20	DDGD	
CCSc1ccccc1C(=O)NNC(=O)C(=O)N1CCCC1	748247540	QFYQHUBAZXHWKV-UHFFFAOYSA-N	321.402	1.182	50	20	DDGD	
CC[C@H](CN1CCOCC1)NC(=O)[C@@]1(C)C[C@@H]1Br	928649981	UQHSAWWAIPULLY-MDZLAQPJSA-N	319.243	1.387	50	20	DDGD	
O=C(NNc1cccc(F)n1)N[C@H]1CCCN2CCCC[C@H]12	848675261	VJBKMZPUNAJDBN-NWDGAFQWSA-N	307.373	1.864	50	20	DDGD	
C[C@H]1C(=NNC(=O)c2ncccn2)CC[C@H](C(=O)O)C1(C)C	841665232	JATISGVMBALIJI-VHSXEESVSA-N	304.350	1.719	50	20	DDGD	
C[C@H]1CC(=NNC(=O)N2CCOCC2)c2c(O)ccc(F)c21	745591326	UYIBBWZFTBPNEL-VIFPVBQESA-N	307.325	1.784	50	20	DDGD	
O=C(COC(=O)[C@@H]1C[C@H]1C1CC1)NNC(=O)c1cccs1	751747793	UHJSDGGHCGXNMM-VHSXEESVSA-N	308.359	1.098	50	20	DDGD	
COC[C@H](C)Oc1ccc(C=NNC(=O)C(=O)NC(C)C)cc1	853282483	GKLRGYUPTLZEJH-LBPRGKRZSA-N	321.377	1.075	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)Cc1c[nH]c2ccccc12)C1CC1	858145119	MGWGWPNRTDVNJN-INIZCTEOSA-N	315.373	1.673	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1cccc(-n2cccn2)c1	755932083	KHUKSVBKCSQBLU-UHFFFAOYSA-N	323.316	1.129	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)Cn1ccc2ccccc21)C1CC1	859230308	ZLSLTQVEXMNDDF-MRXNPFEDSA-N	315.373	1.604	50	20	DDGD	
O=C(NN=C1CCCc2c(Cl)cccc21)C(=O)NC1CC1	758101146	UVANSLOOIRTITK-UHFFFAOYSA-N	305.765	1.775	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C[C@H]1CC[C@H](C)C1	854282609	NJGIIUIWFTVUBG-RYUDHWBXSA-N	301.456	1.687	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NCC2(N(C)C)CC2)cc1	922988197	NGCKJHDLUJCCBR-UHFFFAOYSA-N	321.381	1.125	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CC(F)(F)F)cc1F	755923749	LJBODMZWFZTKEN-UHFFFAOYSA-N	309.219	1.939	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)CN2CCCC2=O)c(C)c1	853279416	QLCCRGBDYZDRLR-UHFFFAOYSA-N	317.389	1.856	50	20	DDGD	
CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(C)s1	920384466	LIKOXPZDSJEFPD-JTQLQIEISA-N	315.420	1.267	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)c1cncc(F)c1	759112150	OLURDEIWMKHYLZ-UHFFFAOYSA-N	307.256	1.200	50	20	DDGD	
C#CCCCC(=O)NNC(=S)Nc1cccc(NC(C)=O)c1	757813340	OHLYORDBGOKAAH-UHFFFAOYSA-N	318.402	1.766	50	20	DDGD	
CC[C@H](C)[C@H](OC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)OC	922773670	ZDHBLZVGHWSGSV-VIYPZCSYSA-N	305.334	1.458	50	20	DDGD	
COC1(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCCC1	754155385	GJCUNUHCUIKWFJ-UHFFFAOYSA-N	307.306	1.315	50	20	DDGD	
COc1c(Cl)cccc1NC(=O)NNC(=O)c1cnn(C)c1	756202274	ABTHORFBLKDDEE-UHFFFAOYSA-N	323.740	1.549	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H]1CCC(F)(F)C1	854284688	UMSDGFQRLLKJIU-SECBINFHSA-N	309.382	1.296	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=C2CN(C)C[C@H]2C)cc1	752164656	WITAIQGDVDAWNF-OLZOCXBDSA-N	319.405	1.906	50	20	DDGD	
CCC[C@H]1CCCC[C@@H]1CNC(=O)NNC(=O)c1cn[nH]c1	858524881	LHFWQSAYRBSQAU-NWDGAFQWSA-N	307.398	1.960	50	20	DDGD	
CC(C)(C)n1nnc(C=NNC(=O)CCCc2ccccc2)n1	853302955	OVQNBUKWCWXONO-UHFFFAOYSA-N	314.393	1.901	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=S)NCC2CCC2)c(F)c1	855089242	IOJNYYGILMBSTC-UHFFFAOYSA-N	323.393	1.937	50	20	DDGD	
CC[S@](=O)c1ccccc1C(=O)NNC(=O)NCC1CC1	920859108	MPXCVQYLRYAAMU-NRFANRHFSA-N	309.391	1.168	50	20	DDGD	
CC[C@@H]1CN(C)CCN1C(=O)NC[C@@]1(C)C[C@@H]1Br	856957985	IVCPYJAPQCPCIH-NTZNESFSSA-N	318.259	1.896	50	20	DDGD	
COc1ccc(C2(C(=O)NNC(=O)NC3CC3)CCC2)cc1	751368729	KLVFTMLSCBTPQV-UHFFFAOYSA-N	303.362	1.610	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@@H]1CC(=O)c2ccccc21)C1CC1	855100008	SFTKHOCSQZACHI-NOZJJQNGSA-N	317.414	1.650	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)[C@@H]1C	858122124	QGOSPXXPLACZQM-QOBXEIRBSA-N	320.345	1.236	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cccc(F)n1)C1CCOCC1	856426657	DDHFOGAZMXIGDI-UHFFFAOYSA-N	309.341	1.435	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2ncc(Cl)cn2)CN1C1CC1	856877374	QPINKKFHHMHJCG-WPRPVWTQSA-N	310.789	1.381	50	20	DDGD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)c1cccc(Cl)n1	857323608	SOJILJGDVIFZTP-BDAKNGLRSA-N	309.753	1.501	50	20	DDGD	
COC(=O)c1nccnc1NC[C@]1(C)C[C@@H]1Br	856788489	YPHZNJAYLQXTAT-CPCISQLKSA-N	300.156	1.849	50	20	DDGD	
Cc1csc([C@H](C)C(=O)NNC(=S)N[C@H](C)C2CC2)n1	855097073	ITVMLGJMLPXQRG-RKDXNWHRSA-N	312.464	1.849	50	20	DDGD	
C[C@]1(CNC(=O)NCCC2CC(O)C2)C[C@H]1Br	856956328	YHHAVKISJRLXFT-PQFJONNWSA-N	305.216	1.620	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CN2C[C@H]3CCC[C@H]3C2)cc1	934352041	LWTDSHOENLCZBC-GASCZTMLSA-N	312.373	1.051	50	20	DDGD	
CCSC1(CNC(=O)NNC(=O)Cc2ccncc2)CC1	852627656	HAEJBFCVMPWYPX-UHFFFAOYSA-N	308.407	1.240	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2C[C@@H](OC)C2(C)C)n1	753428873	HRSLRBFNYDRVFR-NXEZZACHSA-N	309.370	1.233	50	20	DDGD	
Cc1c(C(=O)NNC(=O)Cc2cc[nH]n2)oc2ccc(F)cc12	755285914	GJVYKGAJAXBSNC-UHFFFAOYSA-N	316.292	1.607	50	20	DDGD	
CCS(=O)(=O)C[C@@H](C)NC(=O)c1cccc(CCl)c1	1357913700	LDSCHYJCBNAAQT-SNVBAGLBSA-N	303.811	1.978	50	20	DDGD	
CCS(=O)(=O)N[C@H](C)C(=O)NNc1cccc(F)c1Cl	862507984	MFTZNNOJRYBXQX-SSDOTTSWSA-N	323.777	1.250	50	20	DDGD	
C[C@@H](NNC(=O)c1cn(C)nc1C(F)(F)F)C(F)(F)F	862310225	SAIBRHZNDUUOLH-SCSAIBSYSA-N	304.194	1.624	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C2CCc3cc(F)c(F)c(F)c32)N1	863150092	MKJSZDWNMSJQKB-SECBINFHSA-N	311.263	1.149	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2ccc(N3CCCCC3)s2)N1	863145056	FKXSUSCECRVPPA-LBPRGKRZSA-N	320.418	1.467	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNc1ccccc1S(C)(=O)=O	860197768	ZHAZAFYRHBNFPU-GFCCVEGCSA-N	314.407	1.738	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCCC(C)(C)[C@H]1C#N	769893941	RNIQVVRVFSNSOQ-CHWSQXEVSA-N	308.426	1.583	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNC(=O)c2ccc(Cl)nc2)n1	864902163	GVPCOLKMUUETMK-VIFPVBQESA-N	321.768	1.337	50	20	DDGD	
CN(CCCC=NNC(=O)c1cn[nH]c1)C(=O)OC(C)(C)C	863153899	GYJXSVDICZFNIM-UHFFFAOYSA-N	309.370	1.772	50	20	DDGD	
C[C@H](NNC(=O)[C@H]1CCCN1C(=O)C(C)(C)C)C(F)(F)F	862306621	CCAVHUPUMKQTEU-DTWKUNHWSA-N	309.332	1.595	50	20	DDGD	
Cc1nn(C)c(=O)c(C(=O)NNc2ccccc2[N+](=O)[O-])c1C	764586589	XKAVVAFMOUUYJW-UHFFFAOYSA-N	317.305	1.062	50	20	DDGD	
COCCCn1cc(C(=O)NNc2ncc(Cl)cn2)cn1	862259059	VWBJFOGXJWIGNY-UHFFFAOYSA-N	310.745	1.120	50	20	DDGD	
CCC(CC)[C@H](C)C(=O)NNc1nccc(N2CCOCC2)n1	762262333	MCSIXBKMFOHWQP-LBPRGKRZSA-N	321.425	1.829	50	20	DDGD	
CN1CCC(=NNC(=O)c2cc(-c3cccs3)[nH]n2)C1=O	761828281	NRNAHMVYGZCONM-UHFFFAOYSA-N	303.347	1.086	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H](O)[C@@H](C)c1ccc(C)cc1	764881351	PPYUKTXRQBXZRK-JSGCOSHPSA-N	307.394	1.590	50	20	DDGD	
C[C@@H](NNC(=O)[C@@H]1CC(c2ccccc2)=NO1)C(F)(F)F	862309413	LUNGEYAXFHENNZ-KCJUWKMLSA-N	301.268	1.751	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C2CC2)cc1NC(C)=O	764615391	PRUQOXDELCDXNM-UHFFFAOYSA-N	306.322	1.216	50	20	DDGD	
C[C@@H](c1ccccc1F)[C@@H](O)C(=O)NNC(=O)NCC1CC1	865016056	UPHVVWQYDYDSMC-TVQRCGJNSA-N	309.341	1.031	50	20	DDGD	
C[C@@H](NNC(=O)[C@]1(O)CCc2ccccc2C1)C(F)(F)F	862319358	BZNHFVYONZPGKY-RNCFNFMXSA-N	302.296	1.478	50	20	DDGD	
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC(Cl)Cl	867471462	KXXZCWUUDBKAIO-UHFFFAOYSA-N	313.162	1.985	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(-c2nnnn2C)cc1	861457142	FJWVXRYUICEDBI-VIFPVBQESA-N	317.353	1.076	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2nn(C)c(C)c2Cl)c1	862480285	SLUDTOUHMKZVSO-UHFFFAOYSA-N	312.782	1.827	50	20	DDGD	
Cc1cc(C(=O)N2CC[C@@H](B(O)O)C2)c(C)n1CC(F)(F)F	864234510	RVJZVRGIOADAAP-SNVBAGLBSA-N	318.104	1.356	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)CCc2ccccc2)CCO1	769736162	RELCSRQVQKVCKW-TZMCWYRMSA-N	305.378	1.517	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1O	768497262	XNDQVOQADINFEI-UHFFFAOYSA-N	313.273	1.934	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)o1	1117697583	HEEOKKUNVSZHLG-UHFFFAOYSA-N	317.349	1.222	50	20	DDGD	
CC(=NNC(=O)c1sc(N)nc1C)c1ccc2c(c1)OCO2	874106017	VYPBMUZKXWTJJS-UHFFFAOYSA-N	318.358	1.916	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1O	1116735274	RMTRAYDZPQHGFQ-UHFFFAOYSA-N	315.716	1.992	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@H]2CCN(CC(F)(F)F)C2)cc[nH]1	875182511	QBESQNVOFIXAKP-NSHDSACASA-N	317.315	1.075	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)COc2ccccc2F)o1	770813272	HBYPGEOWTDPMNB-UHFFFAOYSA-N	320.276	1.461	50	20	DDGD	
O=C(NC[C@H](n1cncn1)C(F)(F)F)NNc1ccccc1	875985482	CJVKBKVYWZYJKM-JTQLQIEISA-N	314.271	1.708	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@@H](C)N(C)C)c1C	873798199	DINFGZCETFFFBX-OLZOCXBDSA-N	307.394	1.168	50	20	DDGD	
Cc1onc(CC(=O)NNc2cc(F)c(F)cc2F)c1C#N	779533204	BZKNKJIYNHHSOG-UHFFFAOYSA-N	310.235	1.958	50	20	DDGD	
CC(=O)NCc1ccc(NC(=O)NNc2ncc(F)cn2)cc1	775621799	YGWOKXJGQHYKNK-UHFFFAOYSA-N	318.312	1.400	50	20	DDGD	
Cc1nnsc1C(=O)NNc1nc(-c2cccnc2)no1	1116728763	ZUFNEULUBBGAHU-UHFFFAOYSA-N	303.307	1.048	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1F)[C@@H]1CC(=O)N(C2CC2)C1	871271910	DGWVWTZRJAGHKH-MRVPVSSYSA-N	311.744	1.933	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)C1CCC(O)CC1	873768716	CENKFBRUOOYXMI-UHFFFAOYSA-N	323.418	1.564	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)CNc2ccc(C)cc2)n(C)n1	878037114	HOCYMUHSNAQQKW-UHFFFAOYSA-N	315.377	1.164	50	20	DDGD	
COC[C@@H](C)CC(=O)NNc1cccc(S(C)(=O)=O)c1	776534704	QDTLPWACCGRGKY-JTQLQIEISA-N	300.380	1.206	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1ccc(OC(F)F)cn1	774052139	HNGBXXOYVBSYNT-UHFFFAOYSA-N	314.679	1.910	50	20	DDGD	
Cc1cc(C)n(CCC(=O)NNc2nccnc2C(C)C)n1	772816565	SIOLYBKPITUWSK-UHFFFAOYSA-N	302.382	1.947	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1	883084807	CBIXPPFILCGDSM-RWMBFGLXSA-N	317.393	1.780	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)C)nn1-c1ccc(F)cc1	777273969	GMMXVGFYYRNEKV-UHFFFAOYSA-N	304.325	1.737	50	20	DDGD	
O=C(Cc1ccccc1CO)NNC(=O)NC1CCCCC1	779717663	VTUHOKQEFDPPOA-UHFFFAOYSA-N	305.378	1.385	50	20	DDGD	
O=C(CC1CCCCC1)NCCNS(=O)(=O)CCCCl	881849991	YTUKMCDRLTYUAP-UHFFFAOYSA-N	324.874	1.621	50	20	DDGD	
C=C(CBr)n1cc(C[C@H](CC)C(=O)OC)nn1	881315562	HSDBUZZUEDKUKN-VIFPVBQESA-N	302.172	1.885	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cnc(S)[nH]1	776317620	IMJFKPFVTMLWGM-SSDOTTSWSA-N	324.337	1.066	50	20	DDGD	
O=C(NNc1ccccn1)[C@@H]1CC(=O)N(C2CCCCC2)C1	777472357	DGAMLIXAIMPQGT-GFCCVEGCSA-N	302.378	1.706	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1c[nH]c2ccc(F)cc12	772191237	PECMKWDSLRFYGP-QMMMGPOBSA-N	321.308	1.410	50	20	DDGD	
CC(C)COc1cccc(C(=O)NNC(=O)C2CCOCC2)c1	883060058	VQDALKRBSLIUJG-UHFFFAOYSA-N	320.389	1.909	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=S)NC1(C)CC1	789172021	DQZBYKSBAMLFIU-VIFPVBQESA-N	311.382	1.641	50	20	DDGD	
Cc1cc2ncc(C(=O)NNc3ccnc(F)c3)c(C)n2n1	781358501	YCKHPUROTODDEV-UHFFFAOYSA-N	300.297	1.637	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CNC(=O)CCC1CCCC1	887143401	XPRIGHVBVRYXMQ-UHFFFAOYSA-N	307.394	1.024	50	20	DDGD	
O=S(=O)(CCCCl)N1CCOc2cc(O)ccc2C1	882191688	PUXSJNSIQZDJAV-UHFFFAOYSA-N	305.783	1.545	50	20	DDGD	
CCC[C@H](C)[C@H]1CCCN1C(=O)NNC(=O)c1cccnn1	883850725	CYFXBPXGCBPWIV-WCQYABFASA-N	305.382	1.732	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1n[nH]c2c1CCCCC2	789853385	JNAJMPCOMOWXTP-UHFFFAOYSA-N	306.757	1.879	50	20	DDGD	
CNC(=O)NNC(=O)C(C)(C)[C@@H]1CCC[C@H](C(F)(F)F)N1	1136379900	QZSYEDUADVGELT-JGVFFNPUSA-N	310.320	1.046	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNC(=O)c1ccc(C)cc1O	780390931	LNXYKSXZYZUSOZ-UHFFFAOYSA-N	322.361	1.441	50	20	DDGD	
CCn1cc(/C=C(/C#N)C(=O)N(CC(F)(F)F)C2CC2)nn1	899356289	JFRYYGICQHHGHR-UITAMQMPSA-N	313.283	1.758	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F	783806164	ZSIAAQHDIXGCCV-UHFFFAOYSA-N	318.223	1.102	50	20	DDGD	
CC(=NNC(=O)Cn1nnc(-c2ccccc2)n1)[C@@H]1CCCO1	783793587	WUPXMYOODWRDRZ-ZDUSSCGKSA-N	314.349	1.011	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCC[C@H]1c1ccccn1	794916513	ZWNLINBJCZQULW-STQMWFEESA-N	305.378	1.873	50	20	DDGD	
CO[C@@]1(C)CCCN(CC(=O)NNC(=O)c2ccc(C)cc2)C1	791555168	GQESGWPDZQRPIA-KRWDZBQOSA-N	319.405	1.257	50	20	DDGD	
CO[C@@]1(C)CCCN(CC(=O)NNC(=O)c2cccc(C)c2)C1	791554778	DJIWNXVYTQWTHJ-KRWDZBQOSA-N	319.405	1.257	50	20	DDGD	
CC(C)C(CS(=O)(=O)N(C)C)=NNC(=O)c1ccccc1	794854306	FEQKAAVJJGZGGT-UHFFFAOYSA-N	311.407	1.320	50	20	DDGD	
N#Cc1cccc(-n2ccc(C(=O)NNc3cccnn3)n2)c1	798992788	VDHZAOQSQSCUDZ-UHFFFAOYSA-N	305.301	1.291	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1	792319619	DVXGKANGLBIWLT-TZMCWYRMSA-N	323.368	1.829	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(Cl)cc(F)c2N)n1	798280189	SDKMTKRLPUTVTQ-UHFFFAOYSA-N	311.704	1.617	50	20	DDGD	
COCC1(CNC(=O)NNC(=O)CCc2ccccc2)CCC1	799996341	WEQPZWZSGNOYOI-UHFFFAOYSA-N	319.405	1.766	50	20	DDGD	
C[C@H]1CCCC[C@@H]1OCC(=O)NNC(=O)NCC(F)(F)F	798315371	SQGZYSKLEZJNHH-IUCAKERBSA-N	311.304	1.474	50	20	DDGD	
CCCOc1ccc(C(=O)NN(C)C(N)=O)c(OC(C)C)c1	790835979	GZEYHCVYIKDVLB-UHFFFAOYSA-N	309.366	1.918	50	20	DDGD	
O=C(c1c(F)cccc1Br)N1CC[C@@H](B(O)O)C1	585070944	IYXUQFDTJGKRSL-SSDOTTSWSA-N	315.935	1.277	50	20	DDGD	
O=S(=O)(c1c(Cl)cccc1Cl)N1CC[C@H](B(O)O)C1	585060470	DQANCEIUVNXTBO-ZETCQYMHSA-N	323.994	1.231	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1c[nH]c(Br)c1	1318613470	FHDPWOSUVAIAJZ-UHFFFAOYSA-N	314.061	1.491	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)C(=O)OC)c1cccc(Cl)c1	1318876279	GUFPZIRFEOFRLX-SNVBAGLBSA-N	313.741	1.295	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CC[C@@H]2OCCC[C@@H]2C1	1319330540	DHOOJTGNQDFYOB-HIFRSBDPSA-N	317.389	1.850	50	20	DDGD	
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NNc1ncc(Cl)cn1	1328711620	FSPAMSMDQOUXEM-SSDOTTSWSA-N	308.773	1.792	50	20	DDGD	
CCCC[C@@H](CC)CNC(=S)NNC(=O)C[N+](C)(C)C	1321414640	KSYWXMLZQOFQHR-GFCCVEGCSA-O	303.496	1.404	50	20	DDGD	
C[C@H](C(=O)NNc1ccc2ccccc2n1)N1C(=O)CCC1=O	1320109159	LDTWVWVEYRIWRI-SNVBAGLBSA-N	312.329	1.215	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H]1CCO[C@@H](c2ccccc2)O1	1327068248	KNSQWAYSDXRBKI-GXTWGEPZSA-N	323.418	1.394	50	20	DDGD	
C=C[C@@](C)(CCOC)C(=O)NNC(=O)c1ccc(OC)cc1	1320547899	WHYDATBWIPJERJ-INIZCTEOSA-N	306.362	1.685	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2ccn(CC(C)C)n2)c1	1334274360	RNCYVLBAVZKYDJ-UHFFFAOYSA-N	306.391	1.984	50	20	DDGD	
C[C@@H](C=NNC(=O)C1CCOCC1)CNC(=O)OC(C)(C)C	1336992526	IJPRGKOGLJEJRP-LLVKDONJSA-N	313.398	1.676	50	20	DDGD	
COc1ccccc1C1(C(=O)NNC(=O)c2cc[nH]n2)CCC1	1347831101	ILTWCPVPUWKTSI-UHFFFAOYSA-N	314.345	1.301	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)C1CCNCC1	1348510645	JEJUKWCPKMUVPS-UHFFFAOYSA-N	321.337	1.056	50	20	DDGD	
Cc1cc(C(=O)NNc2cncc(Br)c2)ncn1	1341228669	CHUAEVVRFZZOFT-UHFFFAOYSA-N	308.139	1.699	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(OC)c(C)c2)n1	1346256850	BQBKWGQMDVIBRW-UHFFFAOYSA-N	302.334	1.868	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cccc([S@](C)=O)c1	1354591823	VEONKCDMEFWTRR-NRFANRHFSA-N	307.375	1.380	50	20	DDGD	
C#CCN(C)CCCNC(=O)NNc1cccc(C(=O)O)c1C	1602713404	BKRIVBNLXITLTE-UHFFFAOYSA-N	318.377	1.274	50	20	DDGD	
N#C[C@]1(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)C[C@H]2CC[C@H]1C2	1606340101	CSKCLHDBVVBQJN-KNHMANMVSA-N	323.360	1.640	50	20	DDGD	
CO[C@@H]1CCCC[C@H]1NC(=O)NNc1cccc(C(=O)O)c1	1606998054	XOMGFEVTYYELJD-CHWSQXEVSA-N	307.350	1.969	50	20	DDGD	
CO[C@@H]1CC[C@@H](NC(=O)NNc2cccc(-c3nn[nH]n3)c2)C1	1605028141	BYUFMEVZGIDWKU-ZYHUDNBSSA-N	317.353	1.060	50	20	DDGD	
Cc1ccc(-c2nn[nH]n2)cc1C(=O)NNc1cccc(F)n1	1605792124	GJHVRPGOZQFBOQ-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
CC[C@H](C(=O)O)C(=O)NNC(=O)c1cccc2ncccc12	1609885883	ACOQSQVQSUHTFM-VIFPVBQESA-N	301.302	1.107	50	20	DDGD	
C#CCN1CCC(C(=O)NNc2ccc(C(=O)O)c(F)c2)CC1	1602720803	HXSQOFFVUHBMRX-UHFFFAOYSA-N	319.336	1.312	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H](O)c2ccccn2)cc1F	1608903735	KUGJBOMKRZLRTF-GFCCVEGCSA-N	305.265	1.096	50	20	DDGD	
C[C@@H]1Cc2cc(C(=O)NNc3ccc(C(=O)O)cn3)ccc2O1	1604824541	BSKKYTBPGSIIRH-SECBINFHSA-N	313.313	1.860	50	20	DDGD	
CO[C@H]1CN(C(=O)C2CCC(Cl)CC2)[C@](C)(C(=O)O)C1	1606759615	FBRBXTVJPYTFSS-OTFCRSJLSA-N	303.786	1.875	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)[C@H]1CC[C@H]2CCCCN21	1602471806	QHTKCJBNSQQUQK-BXUZGUMPSA-N	303.362	1.845	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CC2(CC(=O)O)CCCC2)n1	1610290935	GCLAUDNSZWWRMZ-UHFFFAOYSA-N	322.365	1.662	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)N[C@@H]1CNCCC1(F)F	1610700798	WQWRORIYGOZFHG-SNVBAGLBSA-N	314.292	1.008	50	20	DDGD	
Cc1ccc(F)cc1C=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549319400	HSTKWSRYONWJGB-HUUCEWRRSA-N	305.353	1.447	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)cc1)[C@@H]1CN2CCC[C@H]2CO1	1549314556	IWFMFLZCGXAUKZ-KBPBESRZSA-N	307.781	1.653	50	20	DDGD	
CCn1nccc1[C@H]1OCCC[C@@H]1C=NNC(=O)c1cc[nH]n1	1552454862	RGIRNKLYVAQMJP-RISCZKNCSA-N	316.365	1.510	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C=NNC(=O)c1cn[nH]c1	1552672090	DUBVHELPRLTWLU-ZYHUDNBSSA-N	302.338	1.027	50	20	DDGD	
CNNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1	1578741415	ODTWQGWPHBKVSD-CYBMUJFWSA-N	301.312	1.692	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)c1cc(F)c2ncccc2c1	1580736483	USBAUKBMAMPYAV-UHFFFAOYSA-N	316.336	1.135	50	20	DDGD	
O=C(NNC(=O)[C@]12CNC[C@@H]1C2)c1cc2c(s1)CCCCC2	1580735923	HYXPRVAJOKRXDE-MEDUHNTESA-N	319.430	1.388	50	20	DDGD	
O=C(NNC(=O)[C@@]12CCC[C@@H]1NCC2)c1c[nH]c2ccccc12	1580736465	UDBRQSABARHMTH-WMLDXEAASA-N	312.373	1.461	50	20	DDGD	
N[C@H]1CCCn2nc(C(=O)NNc3ccc(Cl)cn3)cc21	1580190783	JBQNSPCMECKSEI-VIFPVBQESA-N	306.757	1.482	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)C(F)(F)F	1589793222	QWGSYHMQPFVMHZ-ZETCQYMHSA-N	314.271	1.898	50	20	DDGD	
O=C(c1ccon1)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846387128	KLEAZMAPLMZBQW-UHFFFAOYSA-N	318.160	1.295	50	20	DDGD	
O=C(CNc1ccc(-c2nn[nH]n2)cc1)NCC(Cl)Cl	1592875393	CQGONMFXAHRONG-UHFFFAOYSA-N	315.164	1.199	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1ccc2nc[nH]c2c1F	1595262327	YPQRJVJQSQXMMZ-UHFFFAOYSA-N	315.264	1.552	50	20	DDGD	
CNc1nc(C)ccc1C(=O)NNc1ccc(C(=O)O)cn1	1598680762	FBDDDGYYDAJVTC-UHFFFAOYSA-N	301.306	1.282	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)C3CC3)C2)C1	1784910557	OIBSZEMQZQEJEC-DOMZBBRYSA-N	314.813	1.244	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccncc1	15384521	NXDRSHVXIUVQAR-JTQLQIEISA-N	303.293	1.449	50	20	DDGD	
CCC(CC)CNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	160591838	XADCSMXDUBIJGM-UHFFFAOYSA-N	308.338	1.975	50	20	DDGD	
CCNC(=O)NNC(=O)c1c[nH]nc1-c1c(F)cccc1F	155021255	QCOMUBPQYYZVQV-UHFFFAOYSA-N	309.276	1.319	50	20	DDGD	
CSSCCNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O	1123781253	RCERMBFNDMLNCR-BDAKNGLRSA-N	324.468	1.388	50	20	DDGD	
CCc1nc(CNS(=O)(=O)c2ccc(CCl)cc2)n[nH]1	392308341	CYMLSCKHHUBVNU-UHFFFAOYSA-N	314.798	1.584	50	20	DDGD	
O=C(NNC(=O)c1ccc2nonc2c1)c1ccc(Cl)cc1	171039	XKEFLLZFEMNFFV-UHFFFAOYSA-N	316.704	1.951	50	20	DDGD	
CCCSCC(=O)NNC(=O)COc1cc(C)cc(C)c1	54881975	WFVRSHPVRMBRJR-UHFFFAOYSA-N	310.419	1.973	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)CCCOc1ccccc1	109829934	YRYMPXSUHIYSGG-ZDUSSCGKSA-N	307.394	1.333	50	20	DDGD	
Cc1ccc(NNC(=O)NCCCCN2CCC[C@H](C)C2)nn1	106263887	YLRXEHNILIKLKH-ZDUSSCGKSA-N	320.441	1.923	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H](C)N2CCC[C@H](C)C2)nn1	106331579	QLLQGTYLAYZQDE-WCQYABFASA-N	306.414	1.532	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ccccc1C(F)(F)F	171364467	UDXMBUYOQAWWED-JGVFFNPUSA-N	302.252	1.958	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCS[C@H](C)[C@H]1C	118415966	DJYZJNBCESRWOO-GRYCIOLGSA-N	301.456	1.394	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1nccn1CC(F)(F)F	171536663	VCPPPDLPGADHER-RMKNXTFCSA-N	303.240	1.542	50	20	DDGD	
O=C(CSc1ncn[nH]1)NNC(=O)c1ccccc1Cl	60872072	FASIXRLCYJGQEI-UHFFFAOYSA-N	311.754	1.011	50	20	DDGD	
CC(C)Oc1cc(CNC(=O)NNc2cccnn2)ccn1	179130762	PBXBBVHUIGILMV-UHFFFAOYSA-N	302.338	1.485	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cc(F)c(Cl)cc1F	179400380	WNSAANRBDBRQQN-UHFFFAOYSA-N	319.695	1.305	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@H]1CCCN1C1CCOCC1	182481348	DNEFKQSDJIYYJO-CYBMUJFWSA-N	308.357	1.307	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)NCC2CC2)[nH]c(C)c1C(C)=O	65191767	HNXVTDVSCPOTTM-UHFFFAOYSA-N	320.393	1.832	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccc(Oc2cccnc2)cc1	113424502	SFQPOUSPZMBRDF-UHFFFAOYSA-N	314.345	1.197	50	20	DDGD	
CCCc1cc(NC(=O)C(=O)NNc2ccc(C)cc2)n(C)n1	131498994	KVSWJGOMAAMQEO-UHFFFAOYSA-N	315.377	1.763	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]1C1CC1)c1ccc2c(c1)OCCO2	176601646	KQNCIHRDGNJXCX-RYUDHWBXSA-N	302.330	1.265	50	20	DDGD	
CCNC(=O)CN(CC)/C(=C/C#N)c1ccc([N+](=O)[O-])cc1	133546137	FXXSRBSHHVPFNC-NTEUORMPSA-N	302.334	1.917	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])c(O)c1	129521873	OGNHSTZPBRKCPU-XFFZJAGNSA-N	305.290	1.360	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H]2[C@H]3CCO[C@@H]3C2(C)C)n1	181342938	YJLKCKVMUZHGBW-ICCXJUOJSA-N	306.366	1.530	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@H]2CC=CCC2)nc1C	182728331	KJBCVDUDLATNQK-NSHDSACASA-N	304.350	1.761	50	20	DDGD	
CCCN1CCC[C@@H]1C(=O)NNC(=O)NCCc1cccs1	124970933	OUTZLTAUMOEPRB-CYBMUJFWSA-N	324.450	1.495	50	20	DDGD	
CC(C)n1nccc1NC(=O)C(=O)NNC(=O)CC1CCCC1	125926180	GTHMHYWLULUXAR-UHFFFAOYSA-N	321.381	1.130	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1c(C)nn(C)c1Cl	73866505	FUUPKLUQJNORFA-DHZHZOJOSA-N	310.785	1.832	50	20	DDGD	
COc1cc(CCC(=O)NNc2ncc(F)cn2)cc(OC)c1	122407236	DCOJNRGYNQDEOZ-UHFFFAOYSA-N	320.324	1.709	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)Cc2cccnc2)ccc1F	184929227	QLCNNPVNVKENDA-UHFFFAOYSA-N	302.309	1.925	50	20	DDGD	
COc1ccc(-c2cncc(C(=O)NN(C)C(N)=O)c2)cc1	182635279	KJJJWAPJWLDCBL-UHFFFAOYSA-N	300.318	1.413	50	20	DDGD	
CCC(CC)n1nc(C(=O)NNC(=O)c2ccc[nH]2)cc1C	180339632	CHDXRBSNQOFFHP-UHFFFAOYSA-N	303.366	1.956	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCC1(N2CCSCC2)CCCC1	32585125	CRMHRCMBWDSIQB-WYMLVPIESA-N	323.462	1.908	50	20	DDGD	
COC[C@@H](C)NS(=O)(=O)c1ccc(NC=C(C#N)C#N)cc1	78608444	HGQYBQQHFCAPGQ-LLVKDONJSA-N	320.374	1.343	50	20	DDGD	
COc1cccc(NNC(=O)CNC(=O)CCC2CCCC2)n1	180674997	MIHCEELEAYFVAN-UHFFFAOYSA-N	320.393	1.620	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)[C@H]1CSCCS1	123746815	QLBOPGQBAKJVLW-ZCFIWIBFSA-N	324.353	1.787	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NC[C@@H](C)C#N)cc1	182815193	JLDFBBCMEJNYDD-NSHDSACASA-N	304.350	1.118	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2nccnc2N)c1C	73569694	JMWXPBFBUNRCFB-UHFFFAOYSA-N	316.390	1.307	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)[nH]1	133973161	VXOPCPZQNZFHMQ-UHFFFAOYSA-N	302.721	1.543	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C[C@@H]1CCCO1	46755755	VBKWZGBADPCFHI-GWCFXTLKSA-N	310.325	1.310	50	20	DDGD	
COc1ccnc(NNC(=O)c2occc2Br)n1	81658740	SKCWJNZDACXWPS-UHFFFAOYSA-N	313.111	1.598	50	20	DDGD	
O=C(Cn1ccccc1=O)NNc1ccc(-c2ccccc2)nn1	85654241	QXEWDZZVOALJFJ-UHFFFAOYSA-N	321.340	1.449	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cnn(-c2ccc(Cl)cc2)c1	194916954	BRCJLQMVZZJPDK-UHFFFAOYSA-N	307.741	1.442	50	20	DDGD	
CC(C)N1C[C@H](NC(=O)NNc2ccc(Cl)nc2)CC1=O	267776748	XWYJRERHWGGNQI-SNVBAGLBSA-N	311.773	1.370	50	20	DDGD	
C[C@@H]1CC/C(=C\C(=O)NNC(=O)COc2ccc(C#N)cc2)C1	267868705	PYDDUNLZRLNIQJ-ZMTLZGASSA-N	313.357	1.831	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)C1CCC1)N(C)c1ccccc1	264732382	JKQXXGQXHYRLKN-LBPRGKRZSA-N	304.394	1.642	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCC1CCSCC1	267034791	LKPXKTQSJUNEJF-UHFFFAOYSA-N	308.407	1.098	50	20	DDGD	
CC(=O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)N(C)C)c1	268449707	ACQFUOSFJKFJKV-UHFFFAOYSA-N	319.770	1.007	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)O1	268251204	BUKQBIJRETXAAJ-WDMOLILDSA-N	324.352	1.698	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@H](C)[C@@H]2CCOC2)c1	266620537	QYLMCJPCOBGRPR-CHWSQXEVSA-N	321.377	1.129	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNc1cccc([N+](=O)[O-])c1C	269584004	CNYJSLOGWQSCGK-UHFFFAOYSA-N	322.365	1.995	50	20	DDGD	
O=C(NCc1cccc2c1OCCCO2)NNc1cccnn1	269253750	AVCHWIKBKYYHOE-UHFFFAOYSA-N	315.333	1.464	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccnc(N3CCCC3)n2)o1	267694523	HAGWTBNIZIJEPH-UHFFFAOYSA-N	315.333	1.053	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNc3nccc(OC)n3)(CC1)C2	365265249	JWFMBPMCRFNKHH-UHFFFAOYSA-N	320.349	1.052	50	20	DDGD	
C[C@H]1OCCN(C(=O)NNC(=O)COCc2ccccc2)[C@@H]1C	268864827	IWFGHVPQBYDYAJ-CHWSQXEVSA-N	321.377	1.053	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)n1	271930191	IFJVKUDRSNLWMR-UHFFFAOYSA-N	301.350	1.371	50	20	DDGD	
NNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1F	270215837	KOYDNWBPGZTXDC-IIMNLJJBSA-N	323.343	1.728	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)[C@@H]1CCCCS1	272921884	FWQRRTRUQINRLL-LBPRGKRZSA-N	318.402	1.310	50	20	DDGD	
CC(C)[C@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2O)CCO1	271779944	JVPZKQBEZSMOCE-BXUZGUMPSA-N	321.377	1.540	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H](C(=O)NNc2nc3ccccn3n2)C1(C)C	276836629	LQSIWKIKMZNNPN-MNOVXSKESA-N	315.377	1.814	50	20	DDGD	
CN(NC(=O)CCC(=O)CCC(=O)c1cccs1)C(N)=O	272225150	UQFOSSCQFZOPQW-UHFFFAOYSA-N	311.363	1.102	50	20	DDGD	
CC(C)c1cc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)no1	274221004	ORSKMXRGRWRAOB-UHFFFAOYSA-N	312.326	1.292	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H]1CC=CCC1	273216536	KIQPRSZLOOYDPA-MNOVXSKESA-N	311.382	1.403	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N1CCN(C)CC1)c1ccccc1	278565777	HZZXVSJJXDNDTH-CQSZACIVSA-N	304.394	1.168	50	20	DDGD	
CC(C)(C)N1C[C@@H](NC(=O)NNc2ncccc2F)CC1=O	288725909	OWGRQPWBLMTJMW-VIFPVBQESA-N	309.345	1.246	50	20	DDGD	
CSCC(C)(C)C(=O)NNC(=O)COc1ccc(C)cc1	281914785	CJRJTVAWPJEQAU-UHFFFAOYSA-N	310.419	1.910	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(C(=O)NNc2ncccc2F)C1	286092256	UWAUAECPBCLKMF-UHFFFAOYSA-N	310.329	1.531	50	20	DDGD	
CCCC[C@@H](NC(N)=O)C(=O)NNc1nccnc1C1CCC1	287322452	XDOIQGBZYZPTOM-LLVKDONJSA-N	320.397	1.414	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1	288464877	KELFMHKRXVAZQH-HNNXBMFYSA-N	319.405	1.148	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@H]2CC2(F)F)cc1OC	294361878	MQKPBPDBOHNFRS-VIFPVBQESA-N	314.288	1.510	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNc1ncnc2ccsc12	809725441	SIUUTYXRQCVLAU-MRVPVSSYSA-N	308.363	1.724	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NNc1cccc([N+](=O)[O-])c1C	802830135	KSZMVWQMEKPELW-CQSZACIVSA-N	320.349	1.747	50	20	DDGD	
O=C(CC1OCCCO1)NNc1cccc(C(F)(F)F)n1	801623254	FJUOHKYCTYMYTJ-UHFFFAOYSA-N	305.256	1.697	50	20	DDGD	
C[C@@H]1C(=O)Nc2cc(C(=O)NNC(=O)CC3CC3)ccc2N1C	294206026	PUANFDQNPGTIBH-SECBINFHSA-N	316.361	1.025	50	20	DDGD	
O=C(COCc1ccccn1)NNC(=O)Cc1ccc(F)cc1	805153578	DXXYYDOFOBFBKR-UHFFFAOYSA-N	317.320	1.127	50	20	DDGD	
Cc1ccc(C(=O)NNc2ncccc2F)cc1S(C)(=O)=O	804211931	ZATKHFXPRURGIO-UHFFFAOYSA-N	323.349	1.690	50	20	DDGD	
CCOC(=O)c1cnc(C)c(C(=O)NNC(=O)CC2CC2)c1	294301131	WXLSQMHDYOVYLG-UHFFFAOYSA-N	305.334	1.128	50	20	DDGD	
CSSCCNC(=O)N1CCN(CCO)C(C)(C)C1	807225990	KFDVMUUIGPUTHR-UHFFFAOYSA-N	307.485	1.096	50	20	DDGD	
CC(C)CCCNC(=O)NNC(=O)[C@H]1COc2ccccc2O1	298643554	DARBYOKGFCUWCY-CQSZACIVSA-N	321.377	1.593	50	20	DDGD	
CC[C@@H]1CCC1=NNC(=O)C1CCN(c2ncccn2)CC1	807970743	UYXHGVCVIHGXOF-GFCCVEGCSA-N	301.394	1.985	50	20	DDGD	
CN(NC(=O)c1cc(CN2CCCC2)on1)C(=O)OC(C)(C)C	297059557	CDVHTGVHBFEQCW-UHFFFAOYSA-N	324.381	1.782	50	20	DDGD	
O=C(NNc1ncccc1F)NC1CCN(CC(F)F)CC1	805064547	LPAUNKRQZSKRGE-UHFFFAOYSA-N	317.315	1.576	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2occ3c2CCC3)nc1	802893914	ASSOFERYGRODKL-UHFFFAOYSA-N	301.302	1.707	50	20	DDGD	
C[C@@H]1CSC[C@@H]1NC(=O)NNC(=O)Cc1ccc(F)cc1	805791324	JAUNRKHQOWLROY-SKDRFNHKSA-N	311.382	1.450	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1ccn2ccnc2c1	298781313	DDLLIKYEPFCEJL-UHFFFAOYSA-N	310.404	1.400	50	20	DDGD	
CC(C)NC(=O)Nc1ccccc1C(=O)NNC(=O)CC1CC1	294185370	OLVLRCDHYKDLBM-UHFFFAOYSA-N	318.377	1.778	50	20	DDGD	
Cc1cc(=NC(=O)NNC(=O)Cc2cc[nH]n2)c2ccccc2[nH]1	809887425	FALFBAOXADPBBN-UHFFFAOYSA-N	324.344	1.084	50	20	DDGD	
O=C(NC[C@@H]1CCOC1)NNC(=O)Nc1ccc(Cl)cc1	296187918	CDXOUSGNWQWTBO-VIFPVBQESA-N	312.757	1.712	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)Cc2cncn2C)cc1	806337666	GZDIFTDIFIOMRT-UHFFFAOYSA-N	318.402	1.211	50	20	DDGD	
CSCC1CCN(S(=O)(=O)CBr)CC1	719314081	SWTHYLDUDADJMU-UHFFFAOYSA-N	302.259	1.744	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)NC[C@H]1C[C@H]2C=C[C@H]1CC2	817172200	VDPUQVVGDNBEJS-RWMBFGLXSA-N	315.377	1.442	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@H]2CCNC(=O)C2)cc1C	812724446	DHNAZDQTYNGQKI-NSHDSACASA-N	319.361	1.141	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)CCOC[C@H]1CCCO1	816338239	ATTVDRITOLMHCU-GFCCVEGCSA-N	312.341	1.863	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNC(=O)c2ccnnc2)cc1	817693202	KHUMCXOORPJJLT-NSHDSACASA-N	314.345	1.125	50	20	DDGD	
C=CCCn1cc(C(=O)NNc2nccnc2C(C)C)nn1	819515399	BZWKCBQJCNEPRR-UHFFFAOYSA-N	301.354	1.525	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)Nc2ccccc2)[nH]1	816595076	YKEUVKBTRZUFAS-UHFFFAOYSA-N	302.290	1.268	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)Cc2cc[nH]n2)[C@@H](C)C1	814955855	AOITYQMTBVKGPA-WDEREUQCSA-N	306.366	1.424	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2cc(C=O)c[nH]2)c1	814719569	UWILSDAOXIJABA-UHFFFAOYSA-N	315.329	1.284	50	20	DDGD	
CC(Cc1ccc(F)cc1)=NNC(=O)Cc1cc(O)nc(O)n1	814860007	JHIJYMRGZHMLJY-UHFFFAOYSA-N	318.308	1.304	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)Cc2cc(C)[nH]n2)[C@]12CCCO2	819803241	LMKDOQVXJGPHSS-UKRRQHHQSA-N	306.366	1.091	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2C[C@H]3[C@@H](O)CC[C@H]3C2)cc(C#N)n1C	490880549	VJGVTQOKCFWJMI-HNPXDIFKSA-N	324.384	1.341	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2(C)CCOCC2)cc1OC	726750798	VRMCONJQRGKSNA-UHFFFAOYSA-N	322.361	1.282	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc2scnc2c1	820936051	FWJJOZHSPQCWEM-LLVKDONJSA-N	305.359	1.626	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)Cc1cccc(F)c1	726076241	UPYPRRIZFBBACL-UHFFFAOYSA-N	313.398	1.242	50	20	DDGD	
CC(C)n1cc(S(=O)(=O)NN(C)C(=O)OC(C)(C)C)cn1	496559110	NSYBPGUZMWOYBI-UHFFFAOYSA-N	318.399	1.524	50	20	DDGD	
CCN(CCO)NC(=O)COc1cc(Cl)ccc1Cl	823841328	HREYUYGMBVLLGJ-UHFFFAOYSA-N	307.177	1.718	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1[C@@H](C)c2ccc(F)cc2C[C@H]1C	828603634	GUHAUOLDRNGJPK-NEPJUHHUSA-N	321.396	1.937	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)[C@@H]2CCCCO2)cc1Cl	820942470	XRTFOKBCTPDAGE-ZDUSSCGKSA-N	310.781	1.907	50	20	DDGD	
N#Cc1cccc(OCC(=O)NNC(=S)NCC2CCC2)c1	727865970	IXRSTVLIINLIMR-UHFFFAOYSA-N	318.402	1.232	50	20	DDGD	
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccccc1	495383016	XHZCJDRBHHFIIU-GFCCVEGCSA-N	321.377	1.751	50	20	DDGD	
C#CCN(CC(=O)NNC(=O)CC(C)C)C(=O)OC(C)(C)C	820710503	SEMMZOMXXHRDIZ-UHFFFAOYSA-N	311.382	1.050	50	20	DDGD	
CC1CCN(c2ccc(C(=O)NN(C)[C@H](C)CO)cn2)CC1	823959949	SQBTYKGWMWUOGO-CYBMUJFWSA-N	306.410	1.275	50	20	DDGD	
N#Cc1cccc(NNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1	729618583	JTDNCNFYRDXMHS-GJZGRUSLSA-N	315.377	1.048	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1c(F)ccc(Br)c1F	823927569	ASWFRUIMMQNKQP-ZCFIWIBFSA-N	323.137	1.685	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)[C@@H](C)c1ccccn1	827306265	FRFGDBVHHOUJLU-SRVKXCTJSA-N	306.366	1.240	50	20	DDGD	
CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1	584952798	XDJYAQKPHGFWHE-CYBMUJFWSA-N	321.201	1.794	50	20	DDGD	
CC[C@@H](CC(C)C)C(=O)NNC(=O)COc1ccccc1O	825759906	CQCVHAXHEZVCHF-LBPRGKRZSA-N	308.378	1.991	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C	497266084	QRSLLIJEPZDTFA-ZJUUUORDSA-N	313.398	1.483	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1ccc(S(C)(=O)=O)s1	490701762	XWFATXUZGMVECP-CMDGGOBGSA-N	314.388	1.212	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)C(C)C)c1cc(F)ccc1F	828693290	QCMFUFARIYXNOA-ZDUSSCGKSA-N	313.348	1.809	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H](CC(F)(F)F)C1	585000920	QSKRRARSDDOHOL-JTQLQIEISA-N	315.100	1.171	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc(CN2CCCCC2)o1	820757490	HZFVWXVPBYYHTI-UHFFFAOYSA-N	305.378	1.827	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccccc1CCC	901964092	CPKBVTUSWXGWDS-UHFFFAOYSA-N	308.403	1.752	50	20	DDGD	
C[C@@H](CO)N(CC1CCC1)C(=O)/C(C#N)=C/c1cnn(C)c1	491173638	DKWVYECTLGGWFQ-FCGPPKDQSA-N	302.378	1.337	50	20	DDGD	
C#CCN(CC(=O)NNC(=O)C(C)C)[C@H]1CCc2ccccc21	491700209	CTBJBJMMJBYWBZ-INIZCTEOSA-N	313.401	1.413	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2	732304077	RAMPTDNQFFNYAY-SRVKXCTJSA-N	308.403	1.969	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=Cc1ccccc1F	730587921	VGLMMDJCCGGSFD-UHFFFAOYSA-N	306.322	1.303	50	20	DDGD	
Cc1cccc2sc(NNC(=O)CN3CCOC3=O)nc12	828351902	CWISQYQHVSUDAV-UHFFFAOYSA-N	306.347	1.500	50	20	DDGD	
CCc1cnc([C@@H](C)NC(=O)c2cc(B(O)O)ccc2F)s1	584961303	PZBTZYMGYWTMAI-MRVPVSSYSA-N	322.170	1.015	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc([C@@H]2CCCOC2)nn1C	496369787	ZBIIRMRSMYTBLJ-SECBINFHSA-N	311.342	1.097	50	20	DDGD	
CO[C@](C)(C1CC1)[C@@H](C)NC(=O)/C(C#N)=C\c1cnn(C)c1	491161700	PHQWJWUWWAXAPD-FYGANREASA-N	302.378	1.647	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H]2CCN(C(C)(C)C)C2=O)nc1	827081148	UYOQJUWRSLUGSQ-NSHDSACASA-N	321.381	1.116	50	20	DDGD	
CCCCN(C)C[C@@H](C)NC(=O)/C(C#N)=C/c1cnn(C)c1	491135378	UBYJZLQZVDKIRZ-MGMWDDNKSA-N	303.410	1.564	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccnc(N(C)C)c2)ccc1O	731561922	CUSFTESMQCPFDT-UHFFFAOYSA-N	314.345	1.626	50	20	DDGD	
C#CCCCC(=O)NN=Cc1c(OC)cc(OC)cc1OC	901321198	QXFQDNXMODBFMV-UHFFFAOYSA-N	304.346	1.966	50	20	DDGD	
OB(O)c1ccc(-c2noc(CSCC(F)(F)F)n2)cc1	585051042	RYVDYTSDSSXEOF-UHFFFAOYSA-N	318.085	1.212	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1nccc2sccc12	497138031	SQDAQSVZRRHLTM-UHFFFAOYSA-N	308.363	1.876	50	20	DDGD	
CC[C@H](C)CC=NNC(=O)Cn1nnc(-c2ccccc2)n1	834919971	IUQZHVLUYDZNFC-LBPRGKRZSA-N	300.366	1.878	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1cccc([N+](=O)[O-])c1C	493940585	DGQZCHBCGCBVBJ-UHFFFAOYSA-N	310.310	1.483	50	20	DDGD	
CN1CCC(CN(C)C(=O)[C@]2(C)C[C@@H]2Br)CC1	906569879	XCQJZYJJRPFOTA-WCQYABFASA-N	303.244	1.960	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@@H](C2CCCC2)C1	585000914	QPPYEISQHBLPIO-CYBMUJFWSA-N	305.158	1.158	50	20	DDGD	
CN1CCO[C@@H](C(=O)NNc2c(Cl)cccc2Cl)C1=O	901083600	NBKJRUPKHNKOBI-JTQLQIEISA-N	318.160	1.294	50	20	DDGD	
C[C@H](Cc1ccsc1)N(C)C(=O)c1ccc(B(O)O)c(F)c1	584957175	LDDYJAVFMOIMEK-SNVBAGLBSA-N	321.182	1.270	50	20	DDGD	
CN(C)c1cccc(CNC(=O)[C@@]2(C)C[C@@H]2Br)n1	907125169	HVQUTHJSPVJCMJ-GWCFXTLKSA-N	312.211	1.937	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2cnn(C)c2)cc1F	735416759	GHXTUCZZPLPXFR-UHFFFAOYSA-N	307.354	1.499	50	20	DDGD	
C[C@H](CCc1cccc(F)c1)NCc1cccc(B(O)O)c1	585023636	OHEJNIYTTGZJDH-CYBMUJFWSA-N	301.170	1.616	50	20	DDGD	
Cc1oc(-c2cccs2)nc1C=NNC(=O)[C@@H]1CCC(=O)N1	905488000	JTMXOWVJAOHGAV-VIFPVBQESA-N	318.358	1.440	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)Cc1ccccc1OC1CCCC1	837569447	QIASPYXMCBSEEE-UHFFFAOYSA-N	320.389	1.469	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)COCC2CCCC2)c1	836622743	VJPCHBCZCXXCTJ-UHFFFAOYSA-N	301.346	1.526	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1cc(O)cs1	732284929	JDMAHDBKYFUAED-UHFFFAOYSA-N	303.303	1.656	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2O)C12CCC2	838765010	HWCRWWLIMHKRAN-STQMWFEESA-N	319.361	1.294	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@@H]2CCCCN2C)cc1	732259420	RFNDXOUBQKMPNF-AWEZNQCLSA-N	321.446	1.719	50	20	DDGD	
COC(=O)/C=C/c1ccc(OC)c(OS(=O)(=O)CCl)c1	831339891	YTMBEFCFXIONAY-GQCTYLIASA-N	320.750	1.786	50	20	DDGD	
CC(C)c1ccc(NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1	837314565	UWLHNPNXWPZKOD-CYBMUJFWSA-N	311.407	1.623	50	20	DDGD	
C[C@@H](N)CC(=O)NNc1c(F)cc(F)cc1Br	831970561	IOLQIJDGXMBLEF-RXMQYKEDSA-N	308.126	1.908	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1CCS[C@H]2CCCC[C@H]21	584960169	IAFNCFKHRPWRQK-KGLIPLIRSA-N	323.198	1.006	50	20	DDGD	
COC(=O)Nc1ccccc1C(=O)NNC(=O)c1ccc[nH]1	733124343	DWQBQSWRUZUELT-UHFFFAOYSA-N	302.290	1.268	50	20	DDGD	
CCOc1ccc(O)c(C=NNC(=O)NCC(F)(F)F)c1	917551181	GRMIBHPKGUWGBS-UHFFFAOYSA-N	305.256	1.986	50	20	DDGD	
CC(=O)c1ccc(OCCCC(=O)NN(C)C[C@@H](C)O)cc1	910183132	NXGFIYPXCGOKKQ-GFCCVEGCSA-N	308.378	1.392	50	20	DDGD	
CCn1nc(C2CC2)cc1C(=O)NNC(=S)N[C@H](C)C1CC1	912159992	JYEMOUZWCDBFGJ-SECBINFHSA-N	321.450	1.688	50	20	DDGD	
CC#CCCNC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	838558035	UZURIXIZZXZBAK-UHFFFAOYSA-N	304.306	1.164	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H](O)CN(/C(=C/C#N)c2ccc(F)cc2)C1	830872016	QYIKVRQCWWFIGU-JVLOOGPFSA-N	304.321	1.546	50	20	DDGD	
C[C@@H]1CC(C)(C)CCC1=NNC(=O)[C@H]1CCS(=O)(=O)C1	748250518	OBXUWKHQQIOIHZ-MNOVXSKESA-N	300.424	1.740	50	20	DDGD	
CC[C@H](C)C(=O)NN=Cc1c(C)n(C)n(-c2ccccc2)c1=O	915974842	QAEJSBRAPHARLI-LBPRGKRZSA-N	314.389	1.981	50	20	DDGD	
C[C@H](C#N)C(=O)NNc1nc(-c2ccccn2)nc2c1CCC2	748339515	MYHCTFUDZOOMNS-SNVBAGLBSA-N	308.345	1.630	50	20	DDGD	
O=C(NNC(=O)N1CCC(OC2CCC2)CC1)C1CCCC1	841588054	ZEUZLCASZACJJX-UHFFFAOYSA-N	309.410	1.951	50	20	DDGD	
Cc1cc(C)c(NNC(=O)CN2CCCS2(=O)=O)c(C)c1	743762414	URGFFPXZRFPFJM-UHFFFAOYSA-N	311.407	1.090	50	20	DDGD	
COc1ccc(OCC(=O)NN=C(C)c2ccn(C)n2)cc1	841607435	SYRGZXKZVMCRTR-UHFFFAOYSA-N	302.334	1.348	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)CCC(C)=O)cc1	913444402	IFYRQMNFFGEVLX-UHFFFAOYSA-N	309.391	1.772	50	20	DDGD	
N#Cc1ccc(NCCNC(=O)NNc2cccc(C#N)c2)nc1	916520515	IVQLENALAZOLKS-UHFFFAOYSA-N	321.344	1.563	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1ncc(Cl)cc1Cl	847755309	WZFSQSWOXNNZBM-RNFRBKRXSA-N	303.149	1.343	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NC[C@@H]1Cc2ccccc21	919658037	KXVQIDKFDZGSGK-VIFPVBQESA-N	301.268	1.609	50	20	DDGD	
CCOC(=O)C[C@H]1CCCCC1=NNC(=O)c1ncccn1	841664522	XEZLCRHIQSOPFO-LLVKDONJSA-N	304.350	1.706	50	20	DDGD	
N#Cc1ccc(NNC(=O)C2=COCCO2)cc1C(F)(F)F	746893626	CZCKSASAPDEWKR-UHFFFAOYSA-N	313.235	1.908	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cnn(-c2ccccc2)c1)[C@H](C)O	842231064	FCBKWGAMXJEVDY-SMDDNHRTSA-N	316.361	1.040	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NN=Cc3cnn(C)c3)n[nH]2)cc1	915966971	BJUVOGRKAUGSPK-UHFFFAOYSA-N	308.345	1.883	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cc(-c2ccccn2)no1	747324767	NJRNVDCMWJYOKN-UHFFFAOYSA-N	323.312	1.135	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCCCOc1cccc(C#N)c1	910168272	QRYBMJNZKAIVMC-ZDUSSCGKSA-N	305.378	1.451	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@H](C)C(F)(F)F	743320023	VSDMMTIMRVHKIA-QMMMGPOBSA-N	304.268	1.584	50	20	DDGD	
NC1(CNC(=O)NNC(=O)c2cc3c(s2)CCC3)CCC1	841967579	VMLXFJOLXPJLNP-UHFFFAOYSA-N	308.407	1.062	50	20	DDGD	
CCN1CCC(=NNC(=O)CNC(=O)c2cccs2)[C@H](C)C1	741460214	MYRLSSGOGPDXGZ-LLVKDONJSA-N	322.434	1.312	50	20	DDGD	
CCN1CCO[C@@H](C(=O)NNc2cccc([N+](=O)[O-])c2C)C1	748685491	LWENGRDVATUUBK-CYBMUJFWSA-N	308.338	1.067	50	20	DDGD	
COCCCCN(C)C(=O)NNC(=O)COCc1ccccc1	841581280	LWTDYKAMAOKTFG-UHFFFAOYSA-N	323.393	1.302	50	20	DDGD	
COc1cc(C(C)=NNC(=O)c2cccn2C)cc(OC)c1O	842525476	QLLIFXQTAXSRIB-UHFFFAOYSA-N	317.345	1.902	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cn1	843643063	HKPPDQMACOWSCM-PWSUYJOCSA-N	307.350	1.055	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CCc3nnnn3CC2)c(Cl)c1	846247336	ULNQXQUBKOOEFD-SNVBAGLBSA-N	320.784	1.731	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)C(F)(F)C(F)F	749388693	WGZWZJZDHDTXHI-UHFFFAOYSA-N	305.191	1.475	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCC(=O)c1ccccc1	843978958	ZTLPDLOGLINXIK-DGCLKSJQSA-N	304.346	1.222	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc(-c3ccccn3)no2)n1	746111200	QJUHHQJSRRMWAA-UHFFFAOYSA-N	310.317	1.900	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCC(=NNC(=O)OCC(F)(F)F)C1	853429454	KFWOCUHSOXRFSG-MRVPVSSYSA-N	316.301	1.618	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC(C)(C)C#N)c1C	853975557	WWEBTTBYQINIIP-UHFFFAOYSA-N	304.350	1.958	50	20	DDGD	
O=C(CCc1nc[nH]n1)OC[C@H](CBr)C1CC1	859588935	LHCNBHVRPRHJRE-VIFPVBQESA-N	302.172	1.702	50	20	DDGD	
O=C(NNS(=O)(=O)c1cncc(Cl)c1)c1ccccc1	757920437	HUIRLTRUGGALTQ-UHFFFAOYSA-N	311.750	1.358	50	20	DDGD	
CN(C)C1(CNC(=O)NC[C@]2(C)C[C@H]2Br)CCC1	856848017	BLCHFXKAOFBABD-PWSUYJOCSA-N	318.259	1.943	50	20	DDGD	
O=C(NN=C1CCc2ccc(F)cc21)C(=O)Nc1ccccn1	758382655	YICYFTCJPFSXCV-UHFFFAOYSA-N	312.304	1.626	50	20	DDGD	
CCC(C#N)(CC)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	858218733	RMKBWWYTDKZZRP-UHFFFAOYSA-N	317.345	1.549	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](O)CCSC)c1C	855625832	KKPRXAXWYZTESN-LBPRGKRZSA-N	312.391	1.339	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)CCN2CCCCCC2)s1	755579171	ORISIBKSMYJFKZ-UHFFFAOYSA-N	323.466	1.925	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCC(=O)c1ccc2c(c1)CCC2	854928449	ZHTBTEPGNDNYGD-UHFFFAOYSA-N	319.430	1.606	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(Br)c(OC)c1	858112182	IDFGTJPAJPZGCD-UHFFFAOYSA-N	317.139	1.849	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)C(=O)NC[C@]1(C)C[C@H]1Br	857385188	FISYJKDQMLYRLH-XWIASGKRSA-N	314.227	1.888	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)c2cccc(Cl)n2)CCC1=O	857323083	AOBUPDYLBUZJGG-BDAKNGLRSA-N	309.753	1.501	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)COc1ccc(C)c(C)c1	755036585	WXQVKXFNXVUANL-NSHDSACASA-N	308.378	1.502	50	20	DDGD	
Cc1nc(CC(=O)NNc2cc(C(F)(F)F)ccn2)n[nH]1	854678749	YPTIOLNJEIBDBJ-UHFFFAOYSA-N	300.244	1.213	50	20	DDGD	
C[C@]1(CNC(=O)COC2CCOCC2)C[C@@H]1Br	857396626	FSVDNJPCGMQMKK-CMPLNLGQSA-N	306.200	1.472	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H](c2cncn2C)N(C)C)c1	857474294	ZSMAURBFIUPEJK-AWEZNQCLSA-N	321.356	1.314	50	20	DDGD	
CO[C@]1(CNC(=O)NC[C@@]2(C)C[C@@H]2Br)CCOC1	856848081	AHTLIOFQKMHVRP-WCQGTBRESA-N	321.215	1.265	50	20	DDGD	
COc1cccc(NCC(=O)NN=C2C[C@@H](C)N(C3CC3)C2)c1	753954921	JMJLEWHTOLDTAN-GFCCVEGCSA-N	316.405	1.836	50	20	DDGD	
O=C(NN=Cc1ccccc1Cl)N[C@H]1CCS(=O)(=O)C1	920381765	UAWCBVWGDYTCEV-JTQLQIEISA-N	315.782	1.160	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)[C@H](O)C3CC3)cc2C1	854242052	ZNMDRLRRIDGJCC-ISVAXAHUSA-N	308.403	1.405	50	20	DDGD	
C/C=C(/C)C(=O)NNC(=O)[C@@H](C)Oc1ccc(OCC)cc1	751188837	OJDGDUBXSYGGSG-DKRCXCIFSA-N	306.362	1.966	50	20	DDGD	
COC(=O)CCC(C)=NNC(=O)COc1ccccc1[N+](=O)[O-]	756877173	PXHVFTIFTLFDFT-UHFFFAOYSA-N	323.305	1.419	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc(Cl)cs1	854284490	LWPSPSURIFXGNJ-UHFFFAOYSA-N	321.855	1.889	50	20	DDGD	
Cn1ncc(C(=O)NC[C@@]2(C)C[C@H]2Br)c1Cl	857385505	IPFLCZSNZMUMIE-GMSGAONNSA-N	306.591	1.977	50	20	DDGD	
COCCNC(=O)NNc1cc(C#N)ccc1Br	853200812	RBFSAQHLTZVYHC-UHFFFAOYSA-N	313.155	1.593	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2	754672566	CTFQHHAJOKHQHJ-FXBDTBDDSA-N	321.299	1.227	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)c1c(C)nc2ccccn12	755064439	QEVUKXNLINYLGZ-SNVBAGLBSA-N	304.350	1.076	50	20	DDGD	
CC(C)n1ccnc1C=NNC(=O)[C@@H]1COc2ccccc2O1	853261627	PIEYCPLQZHQFNU-AWEZNQCLSA-N	314.345	1.754	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1ccc(F)cc1O	750537707	RVSNQSGXRSFRMQ-UHFFFAOYSA-N	315.264	1.733	50	20	DDGD	
CN(C[C@H]1CC1(C)C)C(=O)NNC(=O)c1cccc(C#N)c1	852056620	NQBOJDGVCGXBPU-CYBMUJFWSA-N	300.362	1.891	50	20	DDGD	
CCCC[C@](C)(F)C(=O)NNC(=O)C(C)(OCC)OCC	854387543	BEGXKKSMQVXOQZ-ZDUSSCGKSA-N	306.378	1.841	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)N[C@@H]1CCN2CCCC[C@H]12	852059879	OKAMRECZSVTVQR-VXGBXAGGSA-N	309.801	1.988	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@H]2C=NNC(=O)[C@@H]2CCOC2)cn1	853338855	SBDHBQHEJFYRSP-OUCADQQQSA-N	306.366	1.026	50	20	DDGD	
CNC(=S)N(C)NC(=O)COc1ccccc1C(F)(F)F	854925244	BFOUJROCHMLLAZ-UHFFFAOYSA-N	321.324	1.552	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@](F)(C#N)C2)C[C@H]1Br	856903404	PIQPOALGFOHTGI-IEBDPFPHSA-N	304.163	1.807	50	20	DDGD	
Cc1ccc(NNC(=O)NCC[C@@]2(O)CCCOC2)cc1F	854224344	PKKOOVULQNDJQM-HNNXBMFYSA-N	311.357	1.692	50	20	DDGD	
CNC(=O)c1cccc(NC(=O)NNC(=O)c2ccc[nH]2)c1C	755656217	FPOMWNVIBRJEBR-UHFFFAOYSA-N	315.333	1.149	50	20	DDGD	
COc1cccc(C(C)(C)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	869067512	BMWQNQLGYAZSKV-SMDDNHRTSA-N	320.389	1.545	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc(F)cc1OC1CCCC1	763514995	DDRZDKSKZZPDTM-UHFFFAOYSA-N	323.324	1.253	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C[C@@H](C)c2cccc(F)c2)n[nH]1	869013454	ARAMNIUFFDSPFY-SNVBAGLBSA-N	318.352	1.741	50	20	DDGD	
CCOCn1nc(C)c(CC(=O)NN=c2cc[nH]c(C)c2)c1C	869388610	REWJTEQTQZDXAF-UHFFFAOYSA-N	317.393	1.305	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc3ccccc3c(=O)o2)n1	764075897	PBLKLSAXPYDSTJ-UHFFFAOYSA-N	310.313	1.957	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H]2C[C@H](C)O[C@H](C)C2)n1	767317052	HGGBVFMNZVBIBJ-JGPRNRPPSA-N	309.370	1.376	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1nc(C)cs1	863072854	NOFOLJFODXZKDO-JTQLQIEISA-N	310.423	1.260	50	20	DDGD	
COCc1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)cc1F	868619893	VZEFNADZNXJYFA-CYBMUJFWSA-N	310.325	1.302	50	20	DDGD	
CC(C)(C)OCc1ccccc1C(=O)NNC(=O)C(C)(C)O	768261099	ZYZFWMVNFUJEJE-UHFFFAOYSA-N	308.378	1.534	50	20	DDGD	
CC(CCc1ccc2c(c1)OCO2)=NNC(=O)[C@H]1CCC(=O)N1	863146080	OOXZYXUWESOAPP-GFCCVEGCSA-N	317.345	1.119	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)n[nH]1	869015639	UTMOFZAFWAEYGI-TZMCWYRMSA-N	322.409	1.249	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccnc1)c1ccccc1O	763204802	RONRLDUHUVDDCB-UHFFFAOYSA-N	312.329	1.057	50	20	DDGD	
CCCNC(=O)NNC(=O)Cn1cc(-c2ccccc2)c(C)n1	767740086	KAPPVUBLCPMQEJ-UHFFFAOYSA-N	315.377	1.599	50	20	DDGD	
COc1ccc2c(c1)[C@@H](C(=O)NNc1ncc(F)cn1)CC2	762188447	IUGMSHYFUFAERY-LBPRGKRZSA-N	302.309	1.797	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H](C)Cc2ccccc2)n[nH]1	869012638	YVTJRMHPLJPSQK-NSHDSACASA-N	300.362	1.287	50	20	DDGD	
Cc1ccc(C)c(-c2cc(C(=O)NN=Cc3cnnn3C)n[nH]2)c1	764788808	AQWRHNVBYCXGAR-UHFFFAOYSA-N	323.360	1.586	50	20	DDGD	
CC(C)O[C@H]1CC(=NNC(=O)[C@H]2CCS(=O)(=O)C2)C1(C)C	764905259	KCNJTROOZQTBQM-JQWIXIFHSA-N	316.423	1.117	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccccc1OCC(F)F	878943006	AGYZRPZCWNBWLG-UHFFFAOYSA-N	303.309	1.945	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccc(C#N)cc1)[C@@H]1CCCOC1	779992389	IPOWYZXGTWUKLO-BXUZGUMPSA-N	316.361	1.317	50	20	DDGD	
CSCc1ccccc1NC(=O)C(=O)NNc1ncccn1	773720899	KKLNWUMEVXFHMW-UHFFFAOYSA-N	317.374	1.421	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(C(F)(F)F)cnc1O	878403990	AGAFVHBJTIVXBD-UHFFFAOYSA-N	308.260	1.421	50	20	DDGD	
C[C@H](CBr)COC(=O)C[C@@H]1CCS(=O)(=O)C1	770332053	YUEMRDQRFZKTEB-BDAKNGLRSA-N	313.213	1.385	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1c(C)cc(C)cc1C	771934657	UWWJJKODLSCNLS-LBPRGKRZSA-N	306.362	1.715	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2cnc([C@H](C)O)s2)n1	773032504	MCFDRWPJTRGUGX-QMMMGPOBSA-N	310.404	1.654	50	20	DDGD	
CC[C@H](CSC)N(C)CC(=O)NNC(=O)c1ccc(C)cc1	773714378	KYURCXWRZZVZFS-CQSZACIVSA-N	323.462	1.829	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@H](CC)CO	873854313	WHUAYPZYKKLBQE-GFCCVEGCSA-N	309.435	1.894	50	20	DDGD	
CO[C@H]1CCC[C@@H]1CNC(=O)NNC(=O)c1ccccc1O	775455747	WAKRNFHLLVWNQJ-MFKMUULPSA-N	307.350	1.151	50	20	DDGD	
Cc1cc(NNC(=O)Cn2nc(C(F)F)cc2C2CC2)ncn1	878856593	KOJAEVBSSUYLIY-UHFFFAOYSA-N	322.319	1.940	50	20	DDGD	
COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N1CC=C(C#N)CC1	772942227	BXXJONMSLFCYMT-QWHCGFSZSA-N	312.391	1.204	50	20	DDGD	
CCc1cc(C(=O)NNc2ccnc(Br)c2)n[nH]1	771536889	ASRAWDLDMRPSSF-UHFFFAOYSA-N	310.155	1.887	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccoc1Br	770794266	ZJJLQYDUIKXJBB-UHFFFAOYSA-N	322.122	1.842	50	20	DDGD	
O=C(NNc1cnccn1)c1noc(-c2cccc(F)c2)n1	771577797	IDRHIUOFSGZJGS-UHFFFAOYSA-N	300.253	1.423	50	20	DDGD	
CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NNc2ccc(F)cc2)O1	775459648	FHWVIQSIYRRASH-QWHCGFSZSA-N	324.356	1.088	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)COC2(C)CCC2)cc1OC	772955084	COEOLYVPKZYSKU-UHFFFAOYSA-N	322.361	1.424	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)CCc1ccccc1O	770606091	JOEUZYDLQOYIGI-UHFFFAOYSA-N	300.362	1.771	50	20	DDGD	
CC[C@H]1[C@H](C)CCN1CC(=O)NNC(=O)c1cccc(C)c1	775782687	KVLCJGXTUXYTBT-HIFRSBDPSA-N	303.406	1.876	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)CCO1	776344976	LDOUMBSXJLYWAC-RYUDHWBXSA-N	320.393	1.720	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@@H]1C[C@H]1C1CCCCC1	883459495	ZGSICAFSFYRNHN-UONOGXRCSA-N	309.410	1.712	50	20	DDGD	
C[C@@](C#N)(NC(=O)COC(=O)/C(C#N)=C/c1ccccc1)C1CC1	785350484	IGZIITIXIGJBJE-MXHVWWQHSA-N	323.352	1.945	50	20	DDGD	
Cn1cc(-c2ncccc2NC(=O)NNC(=O)C2CC2)cn1	786209846	QYEJXYUXDVVSMT-UHFFFAOYSA-N	300.322	1.045	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1sc(N(C)C)nc1Cl	887150228	BSLZFXGHUSBBJV-UHFFFAOYSA-N	314.798	1.427	50	20	DDGD	
Cc1cc2c(cc1C)[C@H](C(=O)NNC(=O)c1cccnn1)CO2	882056965	JMJGPAPKOGYHBO-GFCCVEGCSA-N	312.329	1.031	50	20	DDGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1C=NNC(=O)C(C)(C)O	785463993	ZPRUWEAEGDMXOB-UHFFFAOYSA-N	318.352	1.849	50	20	DDGD	
O=C(NNC(=S)Nc1ccccc1F)c1cccc(F)n1	783567349	ZJJNQHWGMVMNMU-UHFFFAOYSA-N	308.313	1.991	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H]1CCCN1CC(C)C	1120514554	QNAFWBFDWWZUHO-OAHLLOKOSA-N	303.406	1.876	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc(SC(F)F)cc1	781595528	SFBCTKAEBRDVNT-UHFFFAOYSA-N	317.317	1.807	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1c(F)ccc(O)c1F	899997451	TWXUDLOUEBRJLA-UHFFFAOYSA-N	303.334	1.578	50	20	DDGD	
Cc1cccc(C)c1OCCC(=O)NNC(=O)C1CCOCC1	894097604	OMJJQJGEVLPQOX-UHFFFAOYSA-N	320.389	1.646	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1C#N	799292658	JWRQTBPZLVVGTE-UHFFFAOYSA-N	324.296	1.850	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC[C@@H]2CC[C@@H](C)C2)n1	793460955	WABBQMWOTKGAQD-ZWNOBZJWSA-N	307.398	1.267	50	20	DDGD	
CCN(CC)CC(=O)NNC(=O)c1cc(C)nc2ccccc12	799009712	JIRJFPNLDCOXQV-UHFFFAOYSA-N	314.389	1.646	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)/C=C\COC)cc1	791296825	MIBNLBTZPWGVLV-FOQNGQEVSA-N	322.361	1.203	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NNc1ncccn1	792969370	AZNRZWUXWWHZLA-JTQLQIEISA-N	321.381	1.565	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=O)NCC(F)(F)F	798315112	OCJGGRNGBUOFLP-IWSPIJDZSA-N	310.320	1.140	50	20	DDGD	
COc1ccc(F)cc1C(=O)NNC(=O)c1cccc(C)n1	794075303	HVCXZNYFVBDYQA-UHFFFAOYSA-N	303.293	1.613	50	20	DDGD	
CC1(C)CC(C(=O)NNC(=O)Cc2cn3ccccc3n2)C1	796887900	VKCORKYHDVNRHE-UHFFFAOYSA-N	300.362	1.460	50	20	DDGD	
N#Cc1ccc(C[C@H](C#N)C(=O)NNc2ncc(F)cn2)cc1	792287347	ZYNIBKPAZZZBAB-GFCCVEGCSA-N	310.292	1.313	50	20	DDGD	
Cc1nc2c(C(=O)NNC(=O)Cc3cccnc3)cccc2o1	791573924	KJUAUEOPFMPCJN-UHFFFAOYSA-N	310.313	1.535	50	20	DDGD	
CO[C@@H](C(=O)NNc1ccc2ccccc2n1)c1cnn(C)c1	798989191	GZEPGJBDQFNWGQ-OAHLLOKOSA-N	311.345	1.799	50	20	DDGD	
Cc1cc(C(=O)NNc2ncccc2C)c(N)c([N+](=O)[O-])c1	791223028	WEJQGZMEEPLXLI-UHFFFAOYSA-N	301.306	1.946	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=C2CCOC[C@@H]2C)C[C@@H](C)O1	794477521	CKVDCVRLHVAVMW-XDQVBPFNSA-N	311.426	1.260	50	20	DDGD	
CC(COC(C)C)=NNC(=O)C1CCN(c2ncccn2)CC1	799879115	QGNQQAQWIBQYNO-UHFFFAOYSA-N	319.409	1.610	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)Nc2nc(C)c(C)s2)n1	1324884379	OXYOVZOENVPTLE-UHFFFAOYSA-N	320.378	1.249	50	20	DDGD	
Nc1cnnc(NNC(=O)c2noc3c2CCCCC3)c1Cl	1320822303	KFTRUZISASDIAQ-UHFFFAOYSA-N	322.756	1.726	50	20	DDGD	
C[C@]1(CNC(=O)CO[C@@H]2CCCNC2)C[C@@H]1Br	1328505985	OSQAUMWTJALUPK-JFGNBEQYSA-N	305.216	1.045	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)N[C@@H]1C=CCCC1	1329883681	GQXGLGITLMFANO-SECBINFHSA-N	312.171	1.974	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cncc(OCC(F)F)c1	1324127906	MPFFUKTZFXMSOJ-UHFFFAOYSA-N	301.293	1.533	50	20	DDGD	
Cn1cccc(NC(=O)NNC(=O)c2ccccc2Cl)c1=O	1320129713	FYBOZCGRQPIFHC-UHFFFAOYSA-N	320.736	1.505	50	20	DDGD	
CCc1nc(C=NNC(=O)C[n+]2ccccc2)c2ccccn12	1321100094	UXRMYNPUDMVUTL-UHFFFAOYSA-O	308.365	1.335	50	20	DDGD	
Cn1ccc(CCC(=O)NNc2ccc(Br)nc2)n1	1324692506	GULZAVHKHKRSIZ-UHFFFAOYSA-N	324.182	1.654	50	20	DDGD	
CC1=CCN(C(=O)C(=O)NC[C@]2(C)C[C@@H]2Br)CC1	1328546869	FTHNXCQZZVVKIX-GWCFXTLKSA-N	315.211	1.455	50	20	DDGD	
CC(C)(C=NNC(=O)c1ccccc1Cl)S(C)(=O)=O	1320194186	YINGGSRDKXDNPA-UHFFFAOYSA-N	302.783	1.879	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@@H]2CCSC2)cc1	1321437925	QYIMAVLMXDRUGM-JTQLQIEISA-N	309.391	1.392	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NCC2CC2)cnn1C1CCCC1	1320375735	GNNPTNQMXKJOOP-UHFFFAOYSA-N	305.382	1.661	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H](C)OC1CCCCC1	1324765087	UAHYAYMVOMCIOP-SNVBAGLBSA-N	319.496	1.583	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ncc(Cc2ccccc2)o1	1327812248	CEZKMZAFCXOOQK-UHFFFAOYSA-N	302.334	1.619	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C#N)cc1)c1ccnc(C)n1	1321094977	RJJGXWKGENZBNB-UHFFFAOYSA-N	309.329	1.576	50	20	DDGD	
Cc1ccc(-c2n[nH]cc2C=NNC(=O)C2CCOCC2)o1	1331360113	KCNWNXRGADIZNI-UHFFFAOYSA-N	302.334	1.855	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21)c1nc2ccccc2s1	1336069242	FQVMUNRMBQBNLT-GGZOMVNGSA-N	317.370	1.482	50	20	DDGD	
COC(=O)C(C)(C)CC=NNC(=O)CCN1CCC(C)CC1	1347630574	WLKSKBDXEVUWHC-UHFFFAOYSA-N	311.426	1.800	50	20	DDGD	
C[C@H]1CN(C(=O)C2CCC(Cl)CC2)C[C@@H](C)N1CCO	1263838028	UKWVZZSOTKHUQU-VTXSZYRJSA-N	302.846	1.698	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1c[nH]c(Br)c1	1344352264	RFIRXVPUXGGQAU-MRVPVSSYSA-N	316.155	1.107	50	20	DDGD	
NS(=O)(=O)C[C@@H]1CCCN(C(=O)C2CCC(Cl)CC2)C1	1521458761	LIJLKWCOBRJMAV-VOMCLLRMSA-N	322.858	1.311	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](C)c1cc(F)ccc1N(C)C	1528425241	GMRREEDLTQDMTE-VIFPVBQESA-N	312.345	1.865	50	20	DDGD	
Cc1oc(C=NNC(=O)c2ccc3c(c2)OCO3)cc1C(=O)O	1600838240	PILDFRWXAKNRQP-UHFFFAOYSA-N	316.269	1.779	50	20	DDGD	
C[C@@](CNC(=O)NNc1ccncn1)(C(=O)O)c1ccccc1	1609746790	QULRHMOXUFRANP-HNNXBMFYSA-N	315.333	1.145	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCS1)c1ccc(OCC(=O)O)cc1	1602986980	BPCKFQZAXRJYAQ-ZDUSSCGKSA-N	322.386	1.886	50	20	DDGD	
Cc1ccc(NNC(=O)CCC(C)(C)[N+](=O)[O-])cc1C(=O)O	1607809928	JRNAKZAORVJBBX-UHFFFAOYSA-N	309.322	1.972	50	20	DDGD	
O=C(Cc1ccsc1)NNC(=O)c1ccsc1C(=O)O	1601372911	ROFMWYXSQPVNCN-UHFFFAOYSA-N	310.356	1.512	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1ccc(C(=O)O)cc1	1608477419	JVKJEELSYORBQV-NSHDSACASA-N	307.306	1.107	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)Nc1ccc(C(=O)O)nc1	1601560856	CGNBSAHYQBRUNM-UHFFFAOYSA-N	317.261	1.837	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2cccc(C(=O)O)c2)s1	1601162743	KYHRAEINXXSETK-UHFFFAOYSA-N	305.315	1.302	50	20	DDGD	
O=C(NCc1ccccc1)NNC(=O)[C@@]1(C(=O)O)CC=CCC1	1605806656	MTUKGRKKFQSJMQ-MRXNPFEDSA-N	317.345	1.328	50	20	DDGD	
O=C(Cc1ccc(C(=O)O)nc1)NNc1ccc(F)cc1F	1601358941	XHXXLNCVEHDFSC-UHFFFAOYSA-N	307.256	1.744	50	20	DDGD	
Cc1oc(CNC(=O)/C(C#N)=C\c2cnn(C)c2)cc1C(=O)O	1600847714	NLMIYBOOFGHISQ-JYOAFUTRSA-N	314.301	1.243	50	20	DDGD	
O=C(O)/C=C\c1ccc(C=NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)o1	1608658733	CEKNPHGEJCYMDU-IAWHVBIHSA-N	304.302	1.395	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNc2ccc(C(=O)O)c(F)c2)nn1	1609672510	VGXULEUJJKQZMH-UHFFFAOYSA-N	321.312	1.627	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1oc(C)nc1C	1610288379	MLRVIPVRIDQSIU-UHFFFAOYSA-N	305.290	1.755	50	20	DDGD	
CCn1cc([C@H]2OCC[C@@H]2C=NNC(=O)c2ncccn2)cn1	1552454874	RHKJOUWWKZQKIZ-YPMHNXCESA-N	314.349	1.186	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@H]1C=NNC(=O)c1ncccn1	1552452205	CUABLUCWNLWRCE-AAEUAGOBSA-N	314.349	1.094	50	20	DDGD	
C[C@@H]1[C@@H](C(=O)NN=C2CCCN3CCCC[C@@H]23)CCCN1C	1552253711	NVBJBGZESHCMJE-YCPHGPKFSA-N	306.454	1.837	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CCCNCC2)cc1	1579228396	GAQSNXZUZVXNQX-LLVKDONJSA-N	306.366	1.238	50	20	DDGD	
CC(C)NCC(=O)NNC(=O)c1ccc(Br)s1	1575727819	UBRKUZHIWBNOES-UHFFFAOYSA-N	320.212	1.270	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)c2ccc3ccccc3n2)CCN1	1579471099	AVIDTWOLGFHYPC-DGCLKSJQSA-N	312.373	1.384	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C[C@H](N)C2CC2)cc1C	1579723755	KSDUCTYCBQLXQV-ZDUSSCGKSA-N	306.435	1.748	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1ccc(F)cc1C(F)(F)F	1589012760	ZSMKLKSITXSTCP-UHFFFAOYSA-N	321.230	1.952	50	20	DDGD	
CCOCC(=O)N1CC2(CCCN2C(=O)[C@H](Cl)CC)C1	1845164318	ZHEUIIXIYQKHGS-LLVKDONJSA-N	302.802	1.244	50	20	DDGD	
CC(C)[C@@H](NS(=O)(=O)c1ccc(CCl)cc1)C(=O)O	1588953763	FQIYFSCGUZDKSH-LLVKDONJSA-N	305.783	1.813	50	20	DDGD	
Cc1cc(C(=O)N2CCCC23CN(C(=O)[C@H](F)Cl)C3)n[nH]1	1844768520	JEDUUYOOCJWEPQ-JTQLQIEISA-N	314.748	1.070	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@@H]2CC[C@H]2C(=O)O)c1	1593704336	SBKVZQAYMUYDIK-VXGBXAGGSA-N	320.349	1.334	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@]2(C(=O)O)CC=CCC2)cc1	1594078728	PERWHIOAJNOGAK-MRXNPFEDSA-N	318.329	1.267	50	20	DDGD	
CCc1[nH]c(C(=O)NNc2ncncc2F)c(C)c1C(=O)O	1597386641	YSJAMVUWTAKMRV-UHFFFAOYSA-N	307.285	1.270	50	20	DDGD	
C[C@H](NC(=O)/C(C#N)=C\c1cc(C(=O)O)nn1C)c1ccccc1	1776119395	ACFCKLKJAYRCEV-LFTLCWSBSA-N	324.340	1.903	50	20	DDGD	
Cc1nsc(C=NNC(=O)c2ccccc2O)c1C(=O)O	1776017509	GKCHYVJOCJSYAJ-UHFFFAOYSA-N	305.315	1.619	50	20	DDGD	
C[C@H](O)c1ncc(C=NNC(=O)c2cccc(C(=O)O)c2)s1	1776095818	VRCDKAYFFYOWAJ-QMMMGPOBSA-N	319.342	1.659	50	20	DDGD	
Cc1[nH]c(C=NNC(=O)[C@@H]2CCN2C(C)(C)C)cc1C(=O)O	1776098168	ANALWIQZUDEHGL-LBPRGKRZSA-N	306.366	1.344	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C(=O)Nc2ccccn2)cc1	151894178	DRGCJXGBOVTIIZ-UHFFFAOYSA-N	312.329	1.044	50	20	DDGD	
O=C1COc2ccc(C(=O)NNc3ccccc3F)cc2N1	153173700	PFDBZHSHBUALJE-UHFFFAOYSA-N	301.277	1.914	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)/C=C/SCc2ccco2)[nH]n1	153205226	FFEUBUYTNAMPNM-GQCTYLIASA-N	306.347	1.519	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)C(=O)NC)cc1	155410457	SIRPUWSIHOOADJ-NASPGAHYSA-N	301.346	1.243	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H]2[C@H]3CCO[C@@H]3C2(C)C)nc1	157384761	QWZLHCJRBNQWDQ-WXHSDQCUSA-N	306.366	1.530	50	20	DDGD	
C[C@@H]1CCN(S(=O)(=O)c2ccc(CCCl)cc2)[C@H]1CO	299946524	AWYKIVAOEDNBAQ-RISCZKNCSA-N	317.838	1.859	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NNC(=O)c2ccccn2)cc1	6434603	SHJBEZMOOOSQCP-UHFFFAOYSA-N	321.358	1.104	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1ccccn1	7909701	APSITVJLNUXOHU-UHFFFAOYSA-N	322.365	1.148	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc(Cl)c(Cl)n1C	109860545	PSUZABIWLUJHPB-UHFFFAOYSA-N	316.148	1.438	50	20	DDGD	
O=C(Cc1coc(-c2ccccc2)n1)NNC(=O)c1cccnc1	27766892	SSOKUAIWQBPKSM-UHFFFAOYSA-N	322.324	1.740	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1ncccc1Cl)C(C)C	114884369	OMQZZEHKXVPMOB-VIFPVBQESA-N	300.746	1.559	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1C#N	173015241	SHKIQACOCQLRMV-UJMHRVFCSA-N	311.341	1.769	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCc1cnn(C)c1C	119611565	XZOAFLWSBATIRC-UHFFFAOYSA-N	309.801	1.711	50	20	DDGD	
CN1/C(=C(\C#N)C(=O)Cn2cnc(C#N)n2)Nc2ccccc21	104918027	XEUBFINDDNLFQE-XNTDXEJSSA-N	305.301	1.016	50	20	DDGD	
N#CC(C#N)=CNC[C@H](c1cccc(F)c1)N1CCOCC1	66306199	HBOJBJBCKFYZDX-MRXNPFEDSA-N	300.337	1.720	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccccc2)c(N)c([N+](=O)[O-])c1	68510152	KERLUOOGXDQBPA-UHFFFAOYSA-N	314.301	1.560	50	20	DDGD	
O=C(NCC[S@](=O)Cc1ccccc1)NNc1ccccn1	116965237	OZGBGPOCKOKRGS-JOCHJYFZSA-N	318.402	1.657	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCC(=O)c2ccccc2)n1	174500964	CETQPIBZXXLGIQ-UHFFFAOYSA-N	314.345	1.900	50	20	DDGD	
C[C@@H]1CCN(CC(=O)NNC(=O)C2CC2)c2ccccc2S1	112976043	FSDAPEWKDRDSIO-LLVKDONJSA-N	319.430	1.935	50	20	DDGD	
CC(C)Cc1ccc(C(=O)NNC(=O)c2cnn(C)c2)cc1	117681442	GXLCRWQNQSWZDX-UHFFFAOYSA-N	300.362	1.693	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)Cc1cn2ccccc2n1	173889238	GTAXQMPHVWJJQJ-LBPRGKRZSA-N	316.361	1.005	50	20	DDGD	
CC(=O)c1ccc(OCCCC(=O)NNc2cnccn2)cc1	114878086	JCCOOHQUIMSQQG-UHFFFAOYSA-N	314.345	1.982	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F	116468979	LXHPVTCHKJLKIK-RKDXNWHRSA-N	311.357	1.750	50	20	DDGD	
C=CCN1CCC(NC(=O)NNc2nc(C)cc(OC)n2)CC1	175477368	MJIKBWHUBBBFRC-UHFFFAOYSA-N	320.397	1.070	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)n(C)n1	126054396	LFAFXWBTAXXEFD-SNVBAGLBSA-N	320.324	1.096	50	20	DDGD	
CNC(=O)NNC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1	126691585	OXJOSPVNUHDGQW-ZJUUUORDSA-N	312.167	1.513	50	20	DDGD	
COC(=O)NNC(=O)Nc1cnc(Br)c(C)c1	182455111	CNYFBPFISRCNLZ-UHFFFAOYSA-N	303.116	1.545	50	20	DDGD	
O=C(CCCNC(=O)c1ccccc1)NNc1ccnc(F)c1	182514827	TUYAWWVRJANDBD-UHFFFAOYSA-N	316.336	1.874	50	20	DDGD	
CC[C@H]1CCCC[C@H]1OCC(=O)NNC(=O)Cc1ccncc1	185883752	WUAKNVJFBSKDAX-LSDHHAIUSA-N	319.405	1.757	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)no1	78263197	HIODMEQYIWQIDN-VIFPVBQESA-N	322.296	1.742	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)C(=O)Nc1ccnn1C(C)C	189178153	PRSJBJCGYKLEMS-UHFFFAOYSA-N	319.340	1.993	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N[C@H](C)C1CCC1	121300022	RUQPFQSRQPJKOG-SNVBAGLBSA-N	315.377	1.775	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)Nc1cccnc1	73117855	IQDNYEPVEGWHOW-UHFFFAOYSA-N	310.317	1.504	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)CC1(O)CCCCC1	89484993	GXOIEWCXJDYMLF-UHFFFAOYSA-N	305.378	1.331	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1)C1CC1	89374111	YFTSZPLAONSBMN-VIFPVBQESA-N	323.780	1.150	50	20	DDGD	
O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NNc1cccnn1	89494853	RQDLKVXJQXBYCE-UHFFFAOYSA-N	312.289	1.552	50	20	DDGD	
CC(=O)NNC(=O)[C@H](C)SCC(=O)Nc1ccc(C)cc1	45826761	MKINBNHXUITINX-JTQLQIEISA-N	309.391	1.223	50	20	DDGD	
CC(C)CC1(CNC(=O)NNC(=O)c2cnn(C)c2)CCCC1	87173253	IQHIWQWLMCGNMB-UHFFFAOYSA-N	321.425	1.971	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cc2c(F)cccc2[nH]1	82977839	IMVXYNUGPXVWCU-UHFFFAOYSA-N	312.304	1.706	50	20	DDGD	
N#CCOc1ccc(CC(=O)NNc2nc3ccccn3n2)cc1	191910698	HRSYSLWYRZJQOV-UHFFFAOYSA-N	322.328	1.317	50	20	DDGD	
COC(=O)[C@H](C)CN(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	194604240	JKMOBFJHWHCFAH-JYVXZMADSA-N	302.330	1.567	50	20	DDGD	
CCC[C@@H]1C(=O)NCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	194823935	BSTIKKCPXRBIDV-VSKPTYQZSA-N	313.357	1.426	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2c(C)cccc2F)ncn1	190134579	MSWLFWLETZTFRK-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
C[C@@H]1[C@@H](NC(=O)NNC(=O)Cc2cccnc2)CCC[C@H]1C	245835151	VDDLKEADWSNQEC-DYEKYZERSA-N	304.394	1.779	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCC(=O)NC2CC2)cc1	255276285	GXTSPNQMPFVVCC-LCYFTJDESA-N	313.357	1.387	50	20	DDGD	
C[C@@H]1CC[C@H](CC(=O)NNC(=O)CNC(=O)c2cccs2)C1	268253289	HZBOWLBKOHFGAX-MNOVXSKESA-N	323.418	1.452	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)o1	266360655	YSMMCEVWMSPMIX-UHFFFAOYSA-N	317.301	1.137	50	20	DDGD	
C[C@H](Sc1nncn1C)C(=O)NNc1ccc([N+](=O)[O-])cc1	269639747	XBOKLHDQKDQOCS-QMMMGPOBSA-N	322.350	1.347	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=S)N[C@@H](C)C1CC1	263905635	SXXQVSJNNFGXBQ-JTQLQIEISA-N	323.418	1.368	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1ccc2nc(O)ccc2c1	267539415	XHBGISCHCTZCQZ-UHFFFAOYSA-N	323.374	1.296	50	20	DDGD	
COCc1cccc(S(=O)(=O)NNC(=O)CC(C)C)c1	263836355	GBHJHIZQHMTEOD-UHFFFAOYSA-N	300.380	1.189	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(OC)ccc1Cl	273457585	DVBBIQAYNDFXQQ-UHFFFAOYSA-N	301.730	1.538	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)C2(O)CCC2)cc1OC	274580188	DYAPSLSMKKHNGH-UHFFFAOYSA-N	322.361	1.160	50	20	DDGD	
O=S(=O)(CBr)NCc1nc(C2CC2)cs1	272816100	OFCSHARQFABTNE-UHFFFAOYSA-N	311.226	1.792	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(NC(=O)CC(C)C)c(C)c1	274166495	AAMKPWGXZUITSG-UHFFFAOYSA-N	307.350	1.980	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2C[C@@H](C)O[C@H](C3CC3)C2)n1	279581751	BOVYOEKXLBGDJH-RISCZKNCSA-N	318.377	1.244	50	20	DDGD	
CC[C@@H](C)[C@H](NC(=O)NNC(=O)c1ccc[nH]1)C(F)(F)F	278655327	NVOMMFVZGDRINE-APPZFPTMSA-N	306.288	1.936	50	20	DDGD	
Cn1cc([C@@H]2C[C@H]2C(=O)NNc2cccc(F)c2[N+](=O)[O-])cn1	365637440	UOBWORXKTRYWOP-VHSXEESVSA-N	319.296	1.714	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1ccc(F)cc1F	274268088	ZDXQXSDLWJUSRG-UHFFFAOYSA-N	315.276	1.459	50	20	DDGD	
N#Cc1cccc(C(=O)NNc2nc(-c3ccncc3)no2)c1	372585859	KIKXOPOLXFUHCY-UHFFFAOYSA-N	306.285	1.760	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C[C@@H]2CCC[C@H]2C)cc1	282778544	LFNKSLDHHOMOKZ-OLZOCXBDSA-N	317.389	1.907	50	20	DDGD	
COC(=O)N(C)NC(=O)CCCOc1ccc(C(C)=O)cc1	286385618	OIJPPPJHKPZBPS-UHFFFAOYSA-N	308.334	1.778	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1ccc(N(C)C)cc1	285416788	XKPSEBSCUJJYBI-UHFFFAOYSA-N	313.448	1.819	50	20	DDGD	
COC(=O)Nc1cccc(CNC(=O)NNC(=O)C2CCC2)c1	287177838	CILNCXWVFYZQRI-UHFFFAOYSA-N	320.349	1.495	50	20	DDGD	
CSSCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	284133279	CXMUFOGAMBIMCJ-UHFFFAOYSA-N	308.406	1.884	50	20	DDGD	
O=C(CSC(F)(F)F)NNc1ccc(-n2ccnc2)nn1	804956149	BFBAIRMQGDXLMC-UHFFFAOYSA-N	318.284	1.358	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1c(O)cc(Cl)cc1Cl	293855940	CAVHNGIKRMEBPE-VIFPVBQESA-N	319.144	1.639	50	20	DDGD	
Cc1cccc2c1OC[C@H](NC(=O)NNC(=O)C1CCC1)C2	291287967	PXNHBJPRJRBYLE-CYBMUJFWSA-N	303.362	1.429	50	20	DDGD	
O=C(NNc1ncccc1F)c1cn(Cc2ccccn2)nn1	804216638	VWRLXZAHOUUSQU-UHFFFAOYSA-N	313.296	1.012	50	20	DDGD	
C=CCOc1ccccc1C(=O)NNC(=O)[C@@H]1CCCCO1	295369411	JVSXEJIXFWCBLS-AWEZNQCLSA-N	304.346	1.582	50	20	DDGD	
CC(F)(F)CCNC(=O)NNC(=O)Cc1ccc(F)cc1	297204437	OIWZGULTOVWZBS-UHFFFAOYSA-N	303.284	1.744	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NNc1cnccn1	294745716	ACAQOCIWXPMTSK-NSHDSACASA-N	323.397	1.955	50	20	DDGD	
O=C(CS[C@@H]1CCS(=O)(=O)C1)NNc1ccccc1	299452305	SFSCBWLIIGCYNB-LLVKDONJSA-N	300.405	1.050	50	20	DDGD	
CSCC[C@H](O)C(=O)NNC(=O)C(C)(C)c1ccccc1	294611630	NAOQAZQQFQIYRO-LBPRGKRZSA-N	310.419	1.226	50	20	DDGD	
CN(CC(=O)NNC(=O)C1CC1)[C@H]1CC[C@@H](C(F)(F)F)CC1	808793795	UVQFJHIBSDEYKP-PHIMTYICSA-N	321.343	1.597	50	20	DDGD	
CC[S@](=O)c1ccccc1C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	293773494	AWZXGXZJBMWURF-HFGRPIQASA-N	324.402	1.143	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C[C@](C)(O)C2CC2)cc1	802059981	BHAVKKQHDHOEBA-HNNXBMFYSA-N	307.350	1.399	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(C)cc1OC	807370623	OVGSCQXNCJOUDU-UHFFFAOYSA-N	324.377	1.554	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1C[C@H]1c1cc(OC)ccc1OC	293583382	JWUGXOGYYQXUQS-GXTWGEPZSA-N	308.378	1.417	50	20	DDGD	
COC(=O)N(C)NC(=O)/C=C\c1ccc(OCCN(C)C)cc1	804124445	VVZNXLTZSSFUSC-YFHOEESVSA-N	321.377	1.370	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H]1CCCN1C(=O)c1ccccc1	295642034	QUZVDLLAHCTPJP-CQSZACIVSA-N	315.373	1.239	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)NCCn1cncn1	298869281	KATOBXWXTWXBRZ-UHFFFAOYSA-N	324.776	1.171	50	20	DDGD	
COCCN(C)NC(=O)[C@@H](C)n1ccc2ccccc2c1=O	293742723	XJXDBUUYDCWLHU-GFCCVEGCSA-N	303.362	1.172	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@H](C)C(C)(F)F	292660508	KWHSTQZEDFXKEP-VIFPVBQESA-N	316.304	1.513	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1cccc(C(=O)O)c1	819908703	RASBUFAKJUPACW-UHFFFAOYSA-N	307.350	1.651	50	20	DDGD	
O=C(NN=Cc1ccc2c(c1)OC(F)(F)O2)N1CCOCC1	819807905	WOENNPJROMUNTK-UHFFFAOYSA-N	313.260	1.384	50	20	DDGD	
CC(CCCO)=NNC(=O)c1nn(-c2ccccc2)cc1O	814757683	NAVAGBGTTYXOFP-UHFFFAOYSA-N	302.334	1.456	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COCCO1)[C@H](C)CCCCC(=O)O	814860739	KOWMBJZRRBDSDU-PWSUYJOCSA-N	300.355	1.175	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1C#N)c1ccc(N)nc1	814743288	CSPRYEXNCLUYOI-UHFFFAOYSA-N	309.329	1.455	50	20	DDGD	
CC1(C)COc2ccc(C(=O)NNC(=O)N3CCOCC3)cc21	810594257	YTLIXPPYOCHUKI-UHFFFAOYSA-N	319.361	1.043	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=C1CC[C@H](c2ccccc2)C1	814835300	NAQSRFTUVCYHFQ-AAEUAGOBSA-N	323.418	1.364	50	20	DDGD	
CN(C)CCOc1ccc(C=NNC(=O)c2ccnnc2)cc1	817343713	XQUVUDZPJAWSJO-UHFFFAOYSA-N	313.361	1.181	50	20	DDGD	
CC(C)C[C@H](CNC(=O)NNc1nc2ccccn2n1)C(=O)O	818628494	WPMZDWFGDKTPNS-SNVBAGLBSA-N	320.353	1.102	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C(C)C[C@@H]1CCC(=O)N1	811631325	UKCBOQFKVCMRDZ-LBPRGKRZSA-N	318.377	1.268	50	20	DDGD	
CCn1nncc1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	815855388	PUXNCOCVPNYFFO-UHFFFAOYSA-N	310.701	1.617	50	20	DDGD	
CC(=O)NNC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1	729509741	DMNLDGNQWRNHTO-UHFFFAOYSA-N	311.341	1.744	50	20	DDGD	
COCCOCc1cc(C(=O)NNC(=O)CC2CC2)ccc1F	819122525	CRXSGSMCZOXFNF-UHFFFAOYSA-N	324.352	1.550	50	20	DDGD	
O=C(NN=Cc1c[nH]c(C(=O)O)c1)c1cc(-c2ccccc2)[nH]n1	814706607	KGCMKCARROESKX-UHFFFAOYSA-N	323.312	1.867	50	20	DDGD	
CC#CCN(C)CC(=O)NNC(=O)c1cc(C)c(CC)s1	815286078	JGIDWPXEIDSWKO-UHFFFAOYSA-N	307.419	1.335	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCc2ccsc2)c1	728949263	SXTHNGJXUWMXIP-UHFFFAOYSA-N	300.343	1.764	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1csc(Cc2ccccc2F)n1	823950293	BCUYPUJJKIIILG-JTQLQIEISA-N	323.393	1.830	50	20	DDGD	
N#Cc1ccc(Br)c(NNC(=O)[C@H]2C[C@@H](O)C2)c1	824490625	MPUIAAJDWHOMPF-DTORHVGOSA-N	310.151	1.535	50	20	DDGD	
Cc1nnc(S)n1CCNC(=O)[C@@]1(C)C[C@H]1Br	825295857	SNVTZJRJDPLAJF-XCBNKYQSSA-N	319.228	1.165	50	20	DDGD	
Cc1ccc(CCC(=O)NNc2ccc(-c3nn[nH]n3)cc2)o1	826287690	YXLMNCWHEFCFQQ-UHFFFAOYSA-N	312.333	1.844	50	20	DDGD	
CC(C)(C)OC(=O)NCCCCC(=O)NNC(=O)CC1CC1	497192838	XAXNPCZXMGNSHR-UHFFFAOYSA-N	313.398	1.629	50	20	DDGD	
CCOC(=O)NNC(=O)c1nc(CC)n(-c2ccccc2F)n1	492008321	PMKZZCAUCDTIAS-UHFFFAOYSA-N	321.312	1.360	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1c(F)cccc1F	826447937	BMTFGDGCPPRYRV-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
COc1cc(F)c(S(=O)(=O)NNC(=O)CC(C)C)c(F)c1	726764534	GQKCNMMNWXISIR-UHFFFAOYSA-N	322.333	1.329	50	20	DDGD	
O=C(CCCc1nn[nH]n1)NNc1ccc(F)c(F)c1F	821153672	WQGOHQPPTONTKT-UHFFFAOYSA-N	300.244	1.083	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)COc1ccc(C)cc1)C1CC1	822571760	FUHBFAIWGLWJML-CQSZACIVSA-N	305.378	1.893	50	20	DDGD	
CC(C)C[C@H]1C[C@H](NCc2ccc(B(O)O)cc2F)CCO1	585032835	NUQNOZCTLAFBMG-CABCVRRESA-N	309.190	1.189	50	20	DDGD	
CC(C)[C@H](C(=O)NN(C)C(=O)OC(C)(C)C)N1CCCC1=O	496282920	KENXYWNPBVKFID-GFCCVEGCSA-N	313.398	1.532	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccsn2)c1C	822205548	YELOGBUCDHBCHS-NSHDSACASA-N	319.386	1.988	50	20	DDGD	
COC(=O)N(C)NC(=O)CN(C)c1nc2ccccc2s1	495842310	VBMBCEYHADZDAA-UHFFFAOYSA-N	308.363	1.462	50	20	DDGD	
COCCN(CCN(C)C)C(=O)[C@]1(C)C[C@H]1Br	906578622	HBWIXYCEVYTKLI-ZYHUDNBSSA-N	307.232	1.197	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1C(=O)O)c1cc2ccccc2cc1O	739454530	SEOXJVCYPXXUSM-MNOVXSKESA-N	314.297	1.027	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)C)ncn1	825855692	ZHSSAMSGGTXRAJ-LBPRGKRZSA-N	321.425	1.805	50	20	DDGD	
O=C(Cn1nc(-c2ccccc2)oc1=O)NNc1ccccc1	732265957	RZGSOAHQFXAWBO-UHFFFAOYSA-N	310.313	1.647	50	20	DDGD	
C=CCCCC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C	493075301	VJMAOBUQUKZHBT-UHFFFAOYSA-N	314.386	1.198	50	20	DDGD	
O=S(=O)(CCl)N1CCC(O)(Cc2cccc(F)c2)CC1	831130270	LNTNACAVPSQFAZ-UHFFFAOYSA-N	321.801	1.721	50	20	DDGD	
CCSCC[C@@H](C)NC(=O)NNC(=O)N=c1cc[nH]cc1	836333522	GJOGGQLHTJDBNK-SNVBAGLBSA-N	311.411	1.371	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1c[nH]c2ccccc12)N(C)C	836622714	WIBYYUXZYNNCLV-JTQLQIEISA-N	303.366	1.062	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cnc(CC(F)(F)F)s1	901215972	MSAONOPKTHWCEA-UHFFFAOYSA-N	324.284	1.054	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)NCCc2cccs2)cn1	733954294	XYULSVATAPWPMV-UHFFFAOYSA-N	307.379	1.151	50	20	DDGD	
COc1cc(C(=O)NNc2cc(C)ncn2)cc2c1OCCO2	734254351	RIDGQFRQCVWFFL-UHFFFAOYSA-N	316.317	1.322	50	20	DDGD	
O=C(c1csc2cc(Cl)cnc12)N1CC[C@@H](B(O)O)C1	585065534	YUACDYRSRCCBNJ-SSDOTTSWSA-N	310.571	1.639	50	20	DDGD	
CC(C)SCC(=O)NNc1nc2ccccc2c(=O)n1C	733261660	XFVVJPZCCROEFH-UHFFFAOYSA-N	306.391	1.518	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2ccc(Br)nc2)nc1	732836142	HLTKBHBMKHEXNN-UHFFFAOYSA-N	318.134	1.868	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C[C@H]1CCOC1	739482620	ACJWMSPCHOMUKK-GHMZBOCLSA-N	310.325	1.167	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H]2CCCN(c3ccccc3)C2)cc1	585038431	DXPBVWCJBHTLIL-KRWDZBQOSA-N	324.233	1.373	50	20	DDGD	
CN(NC(=O)NCCCN1CCCCC1=O)c1ccccc1	730271803	YZKKUVWSWREBAL-UHFFFAOYSA-N	304.394	1.740	50	20	DDGD	
CCc1cccc(CC)c1S(=O)(=O)NNC(=O)c1ccc[nH]1	736064368	SIYGTCHZGKGTQG-UHFFFAOYSA-N	321.402	1.763	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1ccnc(C(=O)O)c1	833149078	DEEGZUKFKOYOBK-UHFFFAOYSA-N	324.296	1.336	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1nc(C)cc(C)n1)C(F)(F)F	733354558	HUYGSPUFJLBRAG-QMMMGPOBSA-N	307.276	1.297	50	20	DDGD	
O=C(CCc1ccc(C(=O)O)cc1)NNC(=O)c1ccoc1	739256558	ZGGUDBPRRVDKHE-UHFFFAOYSA-N	302.286	1.372	50	20	DDGD	
CCOCCCN1CCC(=NNC(=O)c2ccccn2)[C@@H](C)C1	735224453	RZXAQKLDSSMTGB-AWEZNQCLSA-N	318.421	1.936	50	20	DDGD	
COCCN(C)NC(=O)C(=O)c1ccc(OC)c(Cl)c1	837625215	JTKLJUCZSGZHAN-UHFFFAOYSA-N	300.742	1.141	50	20	DDGD	
CC(C)(C)n1ccnc1SCC(=O)NNc1ccncn1	834034415	JICQXPWNFZTEOI-UHFFFAOYSA-N	306.395	1.664	50	20	DDGD	
CC(=O)NNC(=O)C1=Cc2cc(Br)ccc2OC1	841255340	HKAGKQUOTYFFME-UHFFFAOYSA-N	311.135	1.392	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)c1ccc(OC)c(OC)c1	746771173	AUTBDNQCJITQOZ-GFCCVEGCSA-N	312.391	1.606	50	20	DDGD	
Cc1[nH]c(C(=O)NN(C)C[C@@H](C)O)c(C)c1C(=O)OC(C)C	910180447	VKPFHCOTCBUPBI-SECBINFHSA-N	311.382	1.154	50	20	DDGD	
O=C(NCCCNC1CC1)NNC(=O)c1c[nH]c2ccccc12	841918535	MSBSONNTFAOIRC-UHFFFAOYSA-N	315.377	1.254	50	20	DDGD	
CCC(=NNC(=O)N1CCOCC1)c1ccc(OC)c(OC)c1	745602775	OMSALSKNOMJCNV-UHFFFAOYSA-N	321.377	1.860	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)N[C@@H]1CCCC[C@H]1F	840440315	YMTWGOCDTKSOAP-CHWSQXEVSA-N	311.332	1.979	50	20	DDGD	
Cn1c(O)nc2cc(C(=O)NNC(=O)CC3CCCC3)ccc21	749943046	RDVKCVWEIFTLEU-UHFFFAOYSA-N	316.361	1.620	50	20	DDGD	
CC(C)COCCC(=O)NNC(=O)c1ccc(Cl)cc1O	918362823	YCDOOUTUJVSQMS-UHFFFAOYSA-N	314.769	1.869	50	20	DDGD	
NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1cc(Cl)cc(Cl)c1	847893505	CGEQKADWUBAPHY-ZJUUUORDSA-N	302.161	1.948	50	20	DDGD	
CC(F)(F)CCC(=O)OCC(=O)NNC(=O)c1ccccc1	919292764	HHSXZJVPKUPKFN-UHFFFAOYSA-N	314.288	1.426	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCOc1ccccc1F	843977017	SOYTZLMXPWRVOF-WDEREUQCSA-N	310.325	1.167	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2cc(C)n(C)n2)cc1C	841606397	GNWXFYNOVSEXPK-UHFFFAOYSA-N	300.362	1.874	50	20	DDGD	
CC1=NN(c2ccc(C(=O)NNC(=O)c3ccccn3)cc2)CC1	915356292	JNBJVFDGBJDYDG-UHFFFAOYSA-N	323.356	1.742	50	20	DDGD	
CCN1C(=O)C(=NNC(=O)C[n+]2ccccc2)c2cc(C)ccc21	917023671	IUBQJVIBPSFCHF-UHFFFAOYSA-O	323.376	1.170	50	20	DDGD	
O=C(NCCC1CCNCC1)NNC(=O)c1ccc(Cl)cc1	846210185	LESPKQWYBDYOKG-UHFFFAOYSA-N	324.812	1.674	50	20	DDGD	
NS(=O)(=O)c1ccc(NC(=O)NN=C2CCC[C@@H]3C[C@H]23)cc1	841639766	DBTDSUJKMNMBON-SKDRFNHKSA-N	322.390	1.632	50	20	DDGD	
CC1(CNC(=O)NNC(=O)c2ncccn2)CCCCCC1	841580545	BISRAAXHWJKANX-UHFFFAOYSA-N	305.382	1.781	50	20	DDGD	
CCC[C@H](C(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1ccccn1	843972858	VQWNQVKQDQTWME-AVGNSLFASA-N	305.378	1.538	50	20	DDGD	
C[C@@H](CBr)COC(=O)c1ccnc(N)c1[N+](=O)[O-]	848787666	QXJCXNPQWPSAAX-LURJTMIESA-N	318.127	1.760	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)C(C)(C)C)nnc1-c1ccccc1	847345012	ANJZIEZVQRRHMG-UHFFFAOYSA-N	315.377	1.218	50	20	DDGD	
COC[C@]1(CNC(=O)NNc2cccc(F)c2F)CCCN1	841998616	SNQPGZNPUKNNHG-CQSZACIVSA-N	314.336	1.360	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=Cc1cccc(O)c1O	916275568	GMUGDKOPEWLDJU-UHFFFAOYSA-N	324.340	1.906	50	20	DDGD	
CCC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ncccn1	841577843	HFUAWARLKADZQF-NWDGAFQWSA-N	305.382	1.780	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1cccc([N+](=O)[O-])c1C)C(C)C	748670929	RMHQRIAGQPAHPW-ZDUSSCGKSA-N	308.338	1.507	50	20	DDGD	
Cc1noc(C(F)(F)F)c1C(=O)NNC(=O)c1ccc[nH]1	746102512	AIIXHPVNRMGHPJ-UHFFFAOYSA-N	302.212	1.405	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@]1(C)C[C@@H]1c1ccccc1	840602184	AULCIZGMKDTHKU-NDGTYSDOSA-N	318.373	1.669	50	20	DDGD	
C[C@H](C(=O)NNc1nc2ccccc2[nH]1)C(=O)OC(C)(C)C	840873015	LHLYZGXXJMBZQG-SECBINFHSA-N	304.350	1.984	50	20	DDGD	
CC(C)[C@@H](N)CNC(=O)NNC(=O)c1ccc(Cl)cc1F	841943869	POCSDYZIOMAGAR-NSHDSACASA-N	316.764	1.406	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2cc(C)n(C)n2)cc1	841606323	CZVQQVOXVMBECN-UHFFFAOYSA-N	302.334	1.266	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)s1	748780309	IRPVBNZYYQTJBX-UHFFFAOYSA-N	323.341	1.359	50	20	DDGD	
ClCCCOc1ccc(CNCCN2CCNCC2)cc1	841044297	BYTFDNVQPCNQGL-UHFFFAOYSA-N	311.857	1.689	50	20	DDGD	
CCOCCC1(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)CCCC1	843654332	QXYZMZCNKGPJJL-STQMWFEESA-N	312.410	1.546	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)N1	845855340	OZPJINFIAWRGQC-VIFPVBQESA-N	324.189	1.128	50	20	DDGD	
O=C(NN=Cc1cccc2cccnc12)[C@@H]1CN2CCC[C@@H]2CO1	853388114	BPEBQXZWNKWNSC-CVEARBPZSA-N	324.384	1.548	50	20	DDGD	
CC(=NNC(=O)c1ccccn1)c1cc([N+](=O)[O-])ccc1O	758088839	FMURDPYITJNRME-UHFFFAOYSA-N	300.274	1.849	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1ccc(F)c(Cl)c1	755680010	WAVIREHZXNUBOJ-UHFFFAOYSA-N	323.711	1.952	50	20	DDGD	
CC(C)C[C@H](C(=O)NNC(=O)Cc1cc[nH]n1)c1ccccc1	755278719	CBBUXONZEOEELB-HNNXBMFYSA-N	314.389	1.930	50	20	DDGD	
CC[C@H](Cc1ccccc1)C(=O)NNC(=O)Cc1cc[nH]n1	755276993	OIURXXPHXHXNTA-CYBMUJFWSA-N	300.362	1.369	50	20	DDGD	
C/C(=C\C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)c1ccco1	854516960	VBCGQFJAOJVEIX-LMMOQWNQSA-N	312.391	1.175	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H]2CCN(C(C)(C)C)C2)c1	858601867	LPXZUSBOSWEXKU-NSHDSACASA-N	324.450	1.873	50	20	DDGD	
C[C@H](CC(=O)NNc1nc(O)c2cnn(C)c2n1)c1ccco1	859375454	TWBVGZUBEBDJBN-MRVPVSSYSA-N	316.321	1.299	50	20	DDGD	
O=C(NC[C@@H]1C[C@H]2CC[C@H]1C2)NNC(=O)c1cccc(F)n1	852036492	YXZDPXQXRBJIOX-DCAQKATOSA-N	306.341	1.601	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ncc(F)cc1F	855090103	PGWOIXTZWNOAMH-UHFFFAOYSA-N	300.334	1.269	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc2cccnn12	753485165	GOYQPHPHLZEIOH-UHFFFAOYSA-N	310.313	1.418	50	20	DDGD	
O=C(CO)NNC(=O)c1sc2cccc(Cl)c2c1Cl	753444881	BTFCLXFZFWZDOS-UHFFFAOYSA-N	319.169	1.961	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NN=C1CCOC1(C)C	853373615	HVQOXEGIUKFXTK-DGCLKSJQSA-N	320.393	1.559	50	20	DDGD	
C[C@@H]1C[C@@H]1C(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1	753780146	OKMPKOYCKGZSKY-KCJUWKMLSA-N	310.737	1.300	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](C)CS(C)(=O)=O)cc1F	853734001	ORRKLHRQTMAXRQ-VIFPVBQESA-N	303.359	1.193	50	20	DDGD	
Cn1nnc2cc(C(=O)NC[C@@]3(C)C[C@@H]3Br)cnc21	857394480	NDIBGGKECDFEEL-JOYOIKCWSA-N	324.182	1.267	50	20	DDGD	
O=C(NN=Cc1cnc([C@@H]2CCCO2)s1)C(=O)N1CCCC1	755685128	OZOTWTGNEVIUES-NSHDSACASA-N	322.390	1.067	50	20	DDGD	
CCCN(CC(F)F)C(=O)NNC(=O)c1cccc(F)n1	852711664	SESVGBPSNUDCBF-UHFFFAOYSA-N	304.272	1.552	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)C2(C)CCC2)cc1	750528271	QHPYOYBHYWIHEC-UHFFFAOYSA-N	304.346	1.489	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNc2ncc(Br)cn2)C1	858982072	QQEPUMWIHRJDHN-ZKCHVHJHSA-N	316.159	1.043	50	20	DDGD	
O=C(C[C@@H]1CSCCS1)NNc1ncc(Cl)cn1	857357060	FMOKXXFNOQHQGP-MRVPVSSYSA-N	304.828	1.812	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2ccccc2O)c(C)nn1	759356519	WVHSPRPIADLOFW-UHFFFAOYSA-N	300.318	1.128	50	20	DDGD	
COC(=O)[C@@H](C)Oc1ccc(/C=C(\C#N)S(C)(=O)=O)cc1	758425680	GDDUCJMWLPAJKU-SEEODLKFSA-N	309.343	1.536	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cccn1Cc1ccncc1	751333773	ZLFQAJVHGGUUGI-UHFFFAOYSA-N	300.362	1.739	50	20	DDGD	
COC(=O)N1CCC[C@@H](NC(=O)NNc2cc(F)ccc2C)C1	853640902	CJBWQAMEMFTPFP-GFCCVEGCSA-N	324.356	1.991	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCCO1	756079830	XTEJUTGKYJYEST-AWEZNQCLSA-N	322.321	1.108	50	20	DDGD	
CCOc1cccc(/C=C/C(=O)NNC(=O)N2CCOCC2)c1	858905985	LZZSVZQXGXADGV-VOTSOKGWSA-N	319.361	1.172	50	20	DDGD	
CC(C)(C)NCCC(=O)NNC(=O)CCOc1ccccc1	931163896	KSGAEEQZFQMEOO-UHFFFAOYSA-N	307.394	1.381	50	20	DDGD	
C[C@H](CC(=O)NNc1cnnn1C)C(=O)c1cccc(F)c1	857271747	XOFGKQQKVNXNHG-SECBINFHSA-N	305.313	1.306	50	20	DDGD	
O=C(NN=Cc1ccccc1Cl)C(=O)Nc1ccccn1	758387218	HSCJHFXFDFKBGV-UHFFFAOYSA-N	302.721	1.824	50	20	DDGD	
C#C[C@@H](CC)NC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	854068941	OAVHIWJKHZCQRG-MNOVXSKESA-N	307.325	1.335	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(C(F)F)nc2)n1	857459381	LAXNJDLFWOVNCG-UHFFFAOYSA-N	309.276	1.883	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CCCCC1	750933261	ZFYVBTIJGQVVID-GFCCVEGCSA-N	300.424	1.884	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(OC(C)C)cc1F	756275202	WFPKUQRGKAFOCX-UHFFFAOYSA-N	313.329	1.802	50	20	DDGD	
CC[C@@H]1CCC[C@H]1C(=O)NN(C)C(=S)NCCCOC	854286395	ZKDOAPYBDHTQME-VXGBXAGGSA-N	301.456	1.687	50	20	DDGD	
C/C=C/C=C/C(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1	754122510	IOHFEIVDBNTCOG-CRBCFSCISA-N	322.748	1.777	50	20	DDGD	
CCOCn1nc(C)c(CC(=O)NNc2cccc(C)n2)c1C	869388224	OCDBURXOSXYSOI-UHFFFAOYSA-N	317.393	1.883	50	20	DDGD	
Cn1nccc1C=NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	764817261	XKYAJMXNIMHRFQ-UHFFFAOYSA-N	312.308	1.713	50	20	DDGD	
Cc1ccc(CCCCC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1	862454095	QIPZDUYVTGJATG-CQSZACIVSA-N	317.389	1.134	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H]2CCCNC2=O)cc1C	868485525	AJGNCZNDXUGCPZ-CYBMUJFWSA-N	319.361	1.141	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=C1CCN2CCC[C@H]12	765557403	RQFSFTGBFGYQOH-OAHLLOKOSA-N	311.389	1.685	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@@H]1COc2ccccc21	863095363	DNNZJTCOZVNLPB-MRVPVSSYSA-N	310.222	1.981	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@]2(C3CCCC3)CCNC2=O)cc1	860317413	UVEBKDJDIYEJBB-KRWDZBQOSA-N	312.373	1.698	50	20	DDGD	
CC[C@@H]1CO[C@H](C)CN1CC(=O)NNC(=O)c1ccc(C)cc1	762274467	ZPZUQUUHTYKEHN-UKRRQHHQSA-N	319.405	1.255	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNCC(F)(F)C(F)(F)F)CCC1=O	863098027	YEAHROIQDLMKAJ-BQBZGAKWSA-N	302.243	1.810	50	20	DDGD	
Cc1cccc(CO[C@H](C)C(=O)NNC(=O)c2ccc[nH]2)c1	864588888	VOLMTPKMUVHOEJ-GFCCVEGCSA-N	301.346	1.689	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	768328848	KRIHONIMYVJOEF-MRVPVSSYSA-N	311.294	1.246	50	20	DDGD	
COC(=O)c1coc(/C=C\C(=O)NN[C@@H](C)C(F)(F)F)c1	869377348	XFUOVUXURPQXJW-AVALRIAPSA-N	306.240	1.651	50	20	DDGD	
C[C@H]1C(=NNC(=O)[C@@H]2CCC(=O)N2)CCN1Cc1ccccc1	863149622	DHGGTJCHJCEIPA-WFASDCNBSA-N	314.389	1.032	50	20	DDGD	
Cc1ncc([C@H](C)NC(=O)NNC(=O)[C@@H]2CCCCO2)s1	868935435	UYUYUUCEMJOIQO-WPRPVWTQSA-N	312.395	1.412	50	20	DDGD	
CCc1nc(C(C)C)ccc1C(=O)NNC(=O)c1cn[nH]c1	862469568	OUERWFMTMKFNSP-UHFFFAOYSA-N	301.350	1.565	50	20	DDGD	
Cc1nnc(NNC(=O)c2cccc3ccsc23)nc1O	768688900	FNLYFUDYENFKTD-UHFFFAOYSA-N	301.331	1.857	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NNc1cccc([N+](=O)[O-])c1	766277077	COVBMJBGJQVGME-VXGBXAGGSA-N	321.337	1.136	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2sc(N(C)C)nc2C)n1	1116872653	OUIOTYDWQXLWLC-UHFFFAOYSA-N	319.390	1.296	50	20	DDGD	
CC[C@H](C(=O)NNC(=S)NCc1ccon1)c1ccccc1	764477448	ITYFIXKNTBONQM-ZDUSSCGKSA-N	318.402	1.864	50	20	DDGD	
Cn1c(=NNC(=O)NCc2cccnn2)sc2ccccc21	767879903	GYOOKQHYHRWGTE-UHFFFAOYSA-N	314.374	1.345	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)c1cc(Cl)ccc1O	878019260	BEQJYBNQESCZCY-UHFFFAOYSA-N	300.742	1.622	50	20	DDGD	
CCNC(=O)CCC(=O)NNC(=S)Nc1ccc(C)c(C)c1	873764256	ZOIZXVZTVMOBSB-UHFFFAOYSA-N	322.434	1.537	50	20	DDGD	
CCCc1ccc(C(=O)CCC(=O)NNC(=O)C(C)(C)O)cc1	1116787880	ZQIRIFRYZVUKAX-UHFFFAOYSA-N	320.389	1.520	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCc2nn[nH]c21)c1ccccc1Cl	1118517738	HNRYUWZPYYCDNW-SECBINFHSA-N	319.752	1.339	50	20	DDGD	
CN(C)c1cnc(C(=O)NNc2ccc(OC(F)F)cc2)cn1	779674016	BMCIJEKQPQPSMV-UHFFFAOYSA-N	323.303	1.901	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)Nc1ccccn1	1116285799	IWHDRBJUTAIVIP-UHFFFAOYSA-N	300.322	1.150	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H]1CCn2ccnc2C1	777774627	UPESFXXJZCLHSR-NSHDSACASA-N	314.345	1.375	50	20	DDGD	
COCCOCC(=O)NN=Cc1cccc(OC2CC2)c1F	872400658	XXXFVMNZCUXQOE-UHFFFAOYSA-N	310.325	1.480	50	20	DDGD	
CCN(CC)CCOCCNC(=O)NNc1cccc(C)n1	875488028	MLKDRFIFMFUVQG-UHFFFAOYSA-N	309.414	1.375	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H]1CCc2cc(O)ccc2C1	775075950	RQLFPSFSQFQKKD-CYBMUJFWSA-N	305.378	1.626	50	20	DDGD	
COc1cccc(C)c1NC(=O)NNC(=O)C1CCOCC1	879382549	XYVJGWBFQLVRAD-UHFFFAOYSA-N	307.350	1.583	50	20	DDGD	
Cc1cc(NNC(=O)CCc2nc(-c3ccccc3)no2)ncn1	1116075076	XJBWRQPFBAAAGU-UHFFFAOYSA-N	324.344	1.911	50	20	DDGD	
CC[C@@](C)(NCC(=O)NNC(=O)c1ccccc1)C(F)(F)F	777615475	BBTFHPLDULESJX-CYBMUJFWSA-N	317.311	1.768	50	20	DDGD	
CN(C)[C@H]1CCC[C@H](NC(=O)NNc2ccc(C#N)cn2)C1	888488149	ZXHGXWBXPMBEDP-STQMWFEESA-N	302.382	1.452	50	20	DDGD	
CC(C)C(NC(=O)NNc1nc(O)c2cnn(C)c2n1)C(C)C	770415300	IHRLKZGXFSVZNY-UHFFFAOYSA-N	321.385	1.376	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc(F)cc1C(F)(F)F	779824064	ZEHDSXPQZWMSGN-UHFFFAOYSA-N	321.230	1.651	50	20	DDGD	
OCCCc1cn([C@@]2(Cl)C[C@@H]2CCBr)nn1	881383982	YHATWZPXKQTTLJ-WPRPVWTQSA-N	308.607	1.900	50	20	DDGD	
O=S(=O)(CCCCl)N(CCO)CCc1ccccc1	881923536	BNUYRSRGTIGHPK-UHFFFAOYSA-N	305.827	1.482	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)c1nccs1	770076406	QLFAKOYIXAIUBF-UHFFFAOYSA-N	321.358	1.382	50	20	DDGD	
CC(C)[C@H](OC(=O)/C(C#N)=C/c1ccccc1)C(=O)NC(N)=O	785360361	APCFPLVXDRRVIA-RPHSKFLZSA-N	315.329	1.356	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC[C@@H](CCO)C1	787454164	UYTCIMTXWXSQJW-QTNMRXCUSA-N	300.358	1.920	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1sc(NC2CC2)nc1C	887153327	QTFQREFBWOZMIL-UHFFFAOYSA-N	306.391	1.590	50	20	DDGD	
Cn1cc(CN2CCN(C(=O)C3CCC(Cl)CC3)CC2)cn1	1123559751	PVVODSPZLQRKBX-UHFFFAOYSA-N	324.856	1.862	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@H]2CO[C@H](C)C2)cc1OC	784147310	ZNEQPDIXXASCAO-PWSUYJOCSA-N	322.361	1.280	50	20	DDGD	
CCc1cncc(C(=O)NNC(=O)c2ccc(Cl)nc2)c1	789898813	HYSWTCJZNHGPFN-UHFFFAOYSA-N	304.737	1.767	50	20	DDGD	
CC(C)(C)N1CC[C@@H](NC(=O)NNc2ccc(C#N)cn2)C1	889330350	WNSMTUVTGOXALW-GFCCVEGCSA-N	302.382	1.452	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C1CCN(CC(F)(F)F)CC1	887141653	CHTJQEIIRYMRJA-UHFFFAOYSA-N	319.327	1.212	50	20	DDGD	
O=C(NN=Cc1sccc1Cl)N[C@@H]1CCS(=O)(=O)C1	782202299	YWIAIXUYUIJQNU-SSDOTTSWSA-N	321.811	1.222	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(Cl)ccc1C	784917799	WTFWKDYZBUQNMC-UHFFFAOYSA-N	312.757	1.279	50	20	DDGD	
CC[C@@]1(C)CN(C(=O)NNC(=O)c2cccc(C#N)c2)CCO1	785572181	WEAYOXYCODJRLW-INIZCTEOSA-N	316.361	1.414	50	20	DDGD	
C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)NNC(=S)NC(C)(C)C	899995958	CHYDXRHYIQBYOG-MEDUHNTESA-N	323.462	1.835	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cccn2c(O)nnc12	780992091	SWAQJWOOPKHPMM-UHFFFAOYSA-N	314.261	1.100	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1cn(C)nc1C1CC1	899339022	POOWUXVVCYHBHW-UKTHLTGXSA-N	302.378	1.747	50	20	DDGD	
COc1ccccc1NC(=O)C(=O)NNc1ccc(Cl)nn1	784792649	UIRBFKWWRQNWSL-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
C#CCSCC(=O)NNC(=O)CSc1ccccc1OC	897253681	IRVQRHDHGMERCR-UHFFFAOYSA-N	324.427	1.301	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)c1	787133631	HTOSDKIKQCHZQG-NXEZZACHSA-N	309.341	1.569	50	20	DDGD	
COC(=O)N1CCN(C[C@@H](CBr)C2CC2)CC1	701849544	WMBYIYOCSGGESR-LLVKDONJSA-N	305.216	1.792	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN[C@H](C)c2cccnc2)c1	782984372	UOYCPTLOHKBSHB-CYBMUJFWSA-N	312.373	1.502	50	20	DDGD	
Cc1noc(C2(C)CCN(C(=O)NNC(=O)C(C)(C)C)CC2)n1	781419765	RAWQJJRXFBRZLR-UHFFFAOYSA-N	323.397	1.518	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ncoc1C(F)(F)F	899997462	UGAIUAOWILWTQQ-UHFFFAOYSA-N	310.301	1.601	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCCO1)C(=O)NNC(=S)NC(C)(C)C	899995296	LRHXLIZXVLWELS-MNOVXSKESA-N	317.455	1.254	50	20	DDGD	
Cc1cc(NNC(=O)C[C@H]2NC(=O)c3ccccc32)nc(C)n1	896459321	OYBATOSYYUMCKK-CYBMUJFWSA-N	311.345	1.411	50	20	DDGD	
CC(=O)c1ccccc1C(=O)NNC(=O)NCC(F)(F)F	798315355	GMUWHOHGWTWZKZ-UHFFFAOYSA-N	303.240	1.396	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCC1(C#N)CC1)c1ccccc1	797583590	ZZXGTPCAZJYWOM-CYBMUJFWSA-N	300.362	1.814	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCC[C@H](C)C1	790064106	TUTNULHGTKOOTC-NWDGAFQWSA-N	300.399	1.749	50	20	DDGD	
CCc1nc(CC(=O)NNc2nncc(N)c2Cl)cs1	1319425267	PYIISHTVIRVGNR-UHFFFAOYSA-N	312.786	1.417	50	20	DDGD	
Cn1ccc(NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)n1	1320948204	CLDVXIZJQZTBDW-UHFFFAOYSA-N	323.397	1.510	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2cccc(C(N)=O)c2)CC1	1322999842	UEVRWEKHPBHMFP-UHFFFAOYSA-N	316.405	1.358	50	20	DDGD	
O=C(CNC(=O)C1CC1)NNc1cc(Cl)ccc1[N+](=O)[O-]	1326589191	FAOLETGUPIUQBN-UHFFFAOYSA-N	312.713	1.218	50	20	DDGD	
O=C(NNc1ncccn1)C(=O)Nc1ccc2scnc2c1	1320512548	IERRRMAKZJAHHW-UHFFFAOYSA-N	314.330	1.168	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)C(=O)c1ccccc1	1324958353	XODMKNMBYFZCCW-UHFFFAOYSA-N	302.717	1.984	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2occ(C)c2C)c1O	1328897930	NLLSVEVXJQSPSB-UHFFFAOYSA-N	304.302	1.685	50	20	DDGD	
CN(C)c1ccc(CCNC(=O)/C(C#N)=C/c2cnn(C)c2)cc1	1327933616	XTYWEPCBXXMAJH-MHWRWJLKSA-N	323.400	1.752	50	20	DDGD	
O=C(NNC(=O)[C@@]1(F)CCOC1)c1cc(-c2cccs2)[nH]n1	1326802000	URRYPVODPAFYBE-CYBMUJFWSA-N	324.337	1.028	50	20	DDGD	
Cn1ncc(C=NNC(=O)c2ccc(Br)cc2)c1N	1326228352	XUASWDCTPROHEZ-UHFFFAOYSA-N	322.166	1.529	50	20	DDGD	
CCOc1ccc(C=NNC(=O)C[n+]2ccccc2)cc1F	1256370012	KWSZYASBDJNEJU-UHFFFAOYSA-O	302.329	1.662	50	20	DDGD	
Cc1nnc(O)c(CNS(=O)(=O)CC(C)(C)CCl)c1C	1331914740	KIOVOGSARZJMJH-UHFFFAOYSA-N	321.830	1.483	50	20	DDGD	
Cn1cc(C[C@H](CO)CNC(=O)c2cccc(CCl)c2)cn1	1262624066	WDQJPFISXGKLEY-AWEZNQCLSA-N	321.808	1.740	50	20	DDGD	
CN(C)[C@H](C(=O)NNc1cccnn1)c1cccc(Cl)c1	1342263903	SPYAWDSUUHEVFA-ZDUSSCGKSA-N	305.769	1.876	50	20	DDGD	
Cn1nc2c(c1C(=O)NNc1ccccc1C(=O)O)CCC2	1601017770	KFWHUTVZJSPLKC-UHFFFAOYSA-N	300.318	1.364	50	20	DDGD	
CO[C@H]1CC[C@H](NC(=O)NNc2cccc(-c3nn[nH]n3)c2)C1	1605028139	BYUFMEVZGIDWKU-JQWIXIFHSA-N	317.353	1.060	50	20	DDGD	
Cc1nccnc1NC(=O)NNc1ccc(C(=O)O)c(F)c1	1607991365	YFRPJFXDXGBASL-UHFFFAOYSA-N	305.269	1.771	50	20	DDGD	
O=C(Cc1ccc(F)cn1)NNc1cccc(C(=O)O)c1F	1601361186	HBQBJLARZXTRJO-UHFFFAOYSA-N	307.256	1.744	50	20	DDGD	
O=CN1CCC[C@H]1C(=O)NNc1ccc(C(=O)O)c(Cl)c1	1602663472	SKWWKTCYTHFGIP-NSHDSACASA-N	311.725	1.102	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)OC[C@@H]2CCCC[C@@H]2C(=O)O)cn1	1600946424	MLEBYXGAGFAVKM-GADNCJQESA-N	317.345	1.761	50	20	DDGD	
O=C(CCC1CCCCC1)NNC(=O)NC[C@H]1C[C@H]1C(=O)O	1608300053	CVSNBLUAWMJTRJ-VXGBXAGGSA-N	311.382	1.398	50	20	DDGD	
C[C@@H](Cn1ccnc1)NC(=O)NNc1ccc(C(=O)O)c(F)c1	1609752508	WNHLIUHEFRBNDQ-VIFPVBQESA-N	321.312	1.435	50	20	DDGD	
Nc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)cc1Cl	1549316390	FYGPWEQBAGJVGT-BXUZGUMPSA-N	322.796	1.236	50	20	DDGD	
Cc1cc(C(=O)NN=C[C@@H]2CCCO[C@@H]2c2nccn2C)n[nH]1	1552448635	GEPOFEDXURANST-AAEUAGOBSA-N	316.365	1.335	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)CCNC1CC1	1579316085	OTWWSIADAJHTQT-UHFFFAOYSA-N	323.418	1.077	50	20	DDGD	
C[C@@H](C(=O)O)C(=O)NNC(=O)Cc1ccc2ccccc2c1	1588573791	KFODKSDBSZQRIO-SNVBAGLBSA-N	300.314	1.250	50	20	DDGD	
Cc1ccc(C(=O)N2CCCC23CN(C(=O)[C@@H](F)Cl)C3)o1	1841705413	HLCZHKLMVIXPPJ-LLVKDONJSA-N	314.744	1.939	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1	1581244095	WQTHFQOIMOYKNN-UHFFFAOYSA-N	317.740	1.914	50	20	DDGD	
O=C(NNc1ncccc1F)c1csc(-c2nn[nH]n2)c1	1582562430	IMHGOVRZVFCWPK-UHFFFAOYSA-N	305.298	1.219	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)[C@@H]1C	1590333461	FBRYHKNBQGCQKA-BSTOTGJRSA-N	316.365	1.369	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)C1([C@@H]2CCCCO2)CCC1	1595261785	JBRDYBHZIVHACF-LBPRGKRZSA-N	319.361	1.962	50	20	DDGD	
C[S@](=O)c1cccc(C(=O)NNc2cccc(C(=O)O)c2)c1	1599778053	CITGMQQWIAINDO-QFIPXVFZSA-N	318.354	1.879	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CCCCC(=O)O)c1	1594408624	OSZXFAQLSXIARR-UHFFFAOYSA-N	308.334	1.166	50	20	DDGD	
COc1cc(C=NNC(=O)NCC(=O)O)cc(Cl)c1OC	1599401148	YSOJYFLKKIRHIF-UHFFFAOYSA-N	315.713	1.075	50	20	DDGD	
CCc1cc(C(=O)O)c(C=NNC(=O)[C@@H]2CCO[C@@H]2C)s1	1776082208	CWOAPBMSHIFFSS-PSASIEDQSA-N	310.375	1.884	50	20	DDGD	
COc1ccc(C=NNC(=O)c2cccc(C(=O)O)c2)c(C)n1	1776096883	WDHLQFBDCOVSQH-UHFFFAOYSA-N	313.313	1.861	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=Cc1sc(Cl)cc1C(=O)O	1776102315	MYBMJUUUXGESLZ-POYBYMJQSA-N	316.766	1.975	50	20	DDGD	
CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cl)CC	1799265977	QLDKPWFZTKSHMG-OPDFLTKYSA-N	316.829	1.394	50	20	DDGD	
O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccn1	5605178	RMPIHGVBWLVEIS-UHFFFAOYSA-N	320.692	1.718	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)c1cnccn1	11606951	WUOITGSZYRPVGD-UHFFFAOYSA-N	305.725	1.274	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)C[C@@H]1CCS(=O)(=O)C1	160913015	IWCIRUWRNVAXCI-JTQLQIEISA-N	300.355	1.402	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cccc(C#N)c1)CC1CC1	165827976	ATIYDRMHLOOECQ-UHFFFAOYSA-N	300.362	1.051	50	20	DDGD	
CCOCCC(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	151089211	APAYZHANFDXMQM-UHFFFAOYSA-N	308.363	1.326	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)Cc2cccc(F)c2)[nH]n1	153237700	QIAHIASNUSYAOX-SECBINFHSA-N	304.325	1.497	50	20	DDGD	
C[C@H](NS(=O)(=O)CCCCCl)[C@H](C)N1CCOCC1	154113231	LOZRIWBNVHVRJI-RYUDHWBXSA-N	312.863	1.034	50	20	DDGD	
CC[C@@H](CC(=O)NNc1ccc(C(N)=O)nn1)c1ccccc1	154294165	XAKKKFVGKNKVCI-NSHDSACASA-N	313.361	1.603	50	20	DDGD	
O=C(CCl)NCc1ccc(N2CCN3CCC[C@@H]3C2)cc1	1887497684	QYGHUFWKDMZODD-OAHLLOKOSA-N	307.825	1.826	50	20	DDGD	
CN(CCNS(C)(=O)=O)C(=O)c1cccc(CCl)c1	689649477	LBAQVYWUBKLHSK-UHFFFAOYSA-N	304.799	1.047	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccccc1)c1ccccc1Cl	580895	WWIMVVFEOFRVEA-UHFFFAOYSA-N	310.762	1.963	50	20	DDGD	
O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)c1ccccc1F	7957694	FQVCGUPYUPAURJ-AWEZNQCLSA-N	300.289	1.590	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2c[nH]nc2C)cc1F	109860159	AXCVOZSFBTUGPZ-UHFFFAOYSA-N	320.324	1.260	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2cccc3ncccc23)[nH]n1	106814409	FGIARRQTBFCZHO-UHFFFAOYSA-N	309.329	1.595	50	20	DDGD	
Cc1ccc2[nH]c(C(=O)NNC(=O)[C@@H]3CCCO3)cc2c1C	116727431	CRPIROWJLMINGP-AWEZNQCLSA-N	301.346	1.725	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)/C=C/C2CCOCC2)cc1	112193496	XZKABXCXNNMBRK-QPJJXVBHSA-N	318.373	1.504	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc2cc(OC)ccc2nc1C	29709651	VRANOAZVNTWGFU-UHFFFAOYSA-N	303.318	1.943	50	20	DDGD	
CCC(CC)[C@H](C(=O)NNc1cc(C)ncn1)N1CCOCC1	173608824	JKWIPPBQCCSUCX-OAHLLOKOSA-N	321.425	1.365	50	20	DDGD	
NC(=O)NCc1ccc(C(=O)NNc2ccc(Cl)nn2)cc1	172442550	BCURDOJIKFECBE-UHFFFAOYSA-N	320.740	1.055	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@H](O)C1CCCCC1	69257592	SQCIRGOTMKPFSC-HNNXBMFYSA-N	319.405	1.880	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21	66699971	VBPCJZCNKZPOJI-GFCCVEGCSA-N	323.393	1.968	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)COCc2ccccc2)c1	171475135	YFRAIPNWYSXTNA-UHFFFAOYSA-N	309.325	1.536	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2cccnc2)cc1	27765421	OCUNYVZAFWCJJO-UHFFFAOYSA-N	301.371	1.943	50	20	DDGD	
O=C(COc1ccc2ccccc2c1)NNC(=O)NCC1CC1	65197725	UQTCVPHGSWBVBC-UHFFFAOYSA-N	313.357	1.959	50	20	DDGD	
N#Cc1c[nH]c(C(=O)NNC(=O)c2cc(Cl)ccc2O)c1	175161472	FAIIKJNXDFAODM-UHFFFAOYSA-N	304.693	1.320	50	20	DDGD	
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)NC1CC1	64900577	WMGMPWXGCHGAQS-SNVBAGLBSA-N	314.386	1.029	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(F)c(F)c2F)n1	78758981	CWBBLJGZOVFZDT-UHFFFAOYSA-N	312.251	1.968	50	20	DDGD	
Cc1cc(NNC(=O)CCn2c(C)c(C)sc2=O)nc(C)n1	129694523	CUDMCDAIIWMNDK-UHFFFAOYSA-N	321.406	1.467	50	20	DDGD	
COc1cccc(NNC(=O)NCc2c(C)nn(C)c2C)n1	181422201	OQYFDDQUYSHJRX-UHFFFAOYSA-N	304.354	1.267	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1ccc(-n2cccn2)cc1	181407506	IFHFASPKLPVUIN-UHFFFAOYSA-N	322.328	1.349	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)n1	186957246	FLUXCHPDAFFBGC-MISXGVKJSA-N	321.425	1.655	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1cc(F)c(F)cc1F	185035685	JUVIBMIKSZHTBR-UHFFFAOYSA-N	310.235	1.965	50	20	DDGD	
CNC(=O)c1ccc(C)c(NC(=O)NNc2ncccn2)c1	186051872	QUMYLZWCYJRSEB-UHFFFAOYSA-N	300.322	1.293	50	20	DDGD	
C[C@H](CN1CCCCC1)NC(=O)NNC(=O)c1ccccc1O	79294505	GEZXPAXYGUWTES-GFCCVEGCSA-N	320.393	1.211	50	20	DDGD	
O=C(CS(=O)(=O)C1CCCC1)NNc1cccnc1Cl	128394536	WVBUPSKHZDVDHL-UHFFFAOYSA-N	317.798	1.536	50	20	DDGD	
N#CCOc1cc(F)ccc1NC(=O)NNC(=O)c1ccc[nH]1	186631302	HPKKXAWJQVKIRH-UHFFFAOYSA-N	317.280	1.523	50	20	DDGD	
O=C(CSc1nc2ccccc2o1)NNC(=O)[C@@H]1CCCO1	32257847	OARIDOCSXSQFTP-NSHDSACASA-N	321.358	1.246	50	20	DDGD	
COC(=O)[C@@H](C)CN(C)C(=O)c1c(C)nn(CCCl)c1C	73641637	MWEHLLCLWMSUAN-VIFPVBQESA-N	315.801	1.620	50	20	DDGD	
O=C(CSc1ccc(F)c(F)c1)NNC(=O)NC1CC1	49128800	NVICIHDDOUOUFG-UHFFFAOYSA-N	301.318	1.550	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccncc1)N1CCc2ccccc2C1	134470742	JYWHKJKYGSGECM-CYBMUJFWSA-N	324.384	1.289	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ncccc1Br	195066883	NMYFFBVAVMTQGZ-UHFFFAOYSA-N	323.150	1.257	50	20	DDGD	
CCc1cnc(NC(=O)C(=O)NNc2ccc(F)cc2)s1	190709681	RTILFCRTNXYJMZ-UHFFFAOYSA-N	308.338	1.926	50	20	DDGD	
C[C@H](CNC(=O)NNc1cccc([N+](=O)[O-])c1)CN1CCCC1	193381424	NSPRUZRGFAUBNL-GFCCVEGCSA-N	321.381	1.953	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2CC2(Cl)Cl)c1	97657507	WQMOQACCPFKFDK-JTQLQIEISA-N	316.188	1.707	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(C[C@H](C)NC(=O)NNC(=O)c2ccc[nH]2)C1	249779629	OWQLKXGYWBAOCY-XQQFMLRXSA-N	321.425	1.325	50	20	DDGD	
CC(=NNC(=O)c1ccncc1)c1cccc(-n2cnnn2)c1	254305631	LOWPJIQXYKIXMZ-UHFFFAOYSA-N	307.317	1.211	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C/c1cccc(OCC(=O)O)c1	264897720	AXAGLZPAYNZEQX-XXLSNGBASA-N	318.329	1.208	50	20	DDGD	
CN(CCNC(=O)NNC(=O)C1CCC1)Cc1ccc(F)cc1	267315321	MWWZCUIORQTLJV-UHFFFAOYSA-N	322.384	1.388	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)C1CCC1)Oc1ccccc1F	266630326	WSMIMJSBIWXLSS-SNVBAGLBSA-N	309.341	1.724	50	20	DDGD	
C[C@H]1CCC[C@H]1NC(=O)NNC(=O)Cc1cn2ccccc2n1	266925313	DFRCQPDUCWELDV-WCQYABFASA-N	315.377	1.396	50	20	DDGD	
CC[C@@H](C(=O)NNc1nc(-c2cccnc2)no1)N(CC)CC	266855112	RZILECHTQRKKHY-LBPRGKRZSA-N	318.381	1.695	50	20	DDGD	
O=C(NNC(=O)c1c(F)cccc1Br)NC1CC1	267166996	BSNWNMQTFAPTRI-UHFFFAOYSA-N	316.130	1.695	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc2c(c1)CCCO2)C1CCC1	271330300	RFCSBDJIVOJKCW-UHFFFAOYSA-N	310.375	1.121	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC2CC2)ccc1Br	270267328	VNADYJPKNAOHHV-UHFFFAOYSA-N	312.167	1.864	50	20	DDGD	
CC(C)[C@H]1C[C@@H](NC(=O)NNc2cncc(Cl)n2)CCO1	271782857	KDVVLGZAKIHAJL-VHSXEESVSA-N	313.789	1.960	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCc3[nH]ncc3C2)c1	272841407	QQIKEBWLTLTTMT-JTQLQIEISA-N	314.345	1.445	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1cccc(F)c1F	273509394	SSEQMCKLYGYWJJ-MRVPVSSYSA-N	317.292	1.169	50	20	DDGD	
CCC(C)(C)CNC(=O)NNc1nc(O)c2cnn(C)c2n1	277458485	LDTGRALYJJYZCJ-UHFFFAOYSA-N	307.358	1.131	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NC2CC(F)(F)C2)c1	277553172	VOYHRCOLQVJPRI-UHFFFAOYSA-N	312.320	1.494	50	20	DDGD	
O=C(O)c1ccc(NS(=O)(=O)CCCCCl)cc1O	274994572	ZSKCWNGLPCPLKY-UHFFFAOYSA-N	307.755	1.851	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@@H](O)C2CCCCC2)n1	279733570	WHKJZFQSXOKVTL-CQSZACIVSA-N	320.393	1.275	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)Nc1cc(F)cc(Cl)c1	274073665	OVMYVYJRBRIKPW-UHFFFAOYSA-N	313.716	1.365	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)CC(C)C)c(F)c1	273428379	UYCKAFVEPKYXSM-UHFFFAOYSA-N	311.313	1.811	50	20	DDGD	
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NNc1ncccn1	277276331	SAMABZCXQDDMFG-VIFPVBQESA-N	310.358	1.016	50	20	DDGD	
COCCOc1ccc(CC(=O)NNc2cccc(F)n2)cc1	286561203	KUSCCNJQVFIZEL-UHFFFAOYSA-N	319.336	1.932	50	20	DDGD	
Cc1nc2c(C(=O)NNC(=O)NCC(F)(F)F)cccc2o1	281399947	YNKLRKHIMYCDCK-UHFFFAOYSA-N	316.239	1.643	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@]12CCOC2)c1ccc(Cl)cc1F	372523123	PKJRAKVEXGNHIB-YGRLFVJLSA-N	312.728	1.667	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)c2ccccc21	284530855	CBQCTIQIQPFPEU-LBPRGKRZSA-N	324.402	1.141	50	20	DDGD	
CC(C)(C)n1ncnc1CNC(=O)NNc1ccc(Cl)nc1	283334072	ZVABIEZRKCMVFW-UHFFFAOYSA-N	323.788	1.908	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cnc(OCC2CC2)c(Cl)c1	286484260	VLLNPVOGZOQXJG-UHFFFAOYSA-N	313.741	1.867	50	20	DDGD	
C[C@@H](NC(=O)C(C)(C)C)C(=O)NNc1ncc(F)cc1F	296893636	ISMZISHUFFFAQZ-SSDOTTSWSA-N	300.309	1.354	50	20	DDGD	
CNc1ncc(C(=O)NNc2nccnc2C2CCC2)s1	807780485	WPYLTAURJXGKKF-UHFFFAOYSA-N	304.379	1.999	50	20	DDGD	
C[C@@H](CBr)CN1CC[C@H](C(=O)N2CCCC2)C1	805810199	ARHXEPVIXQMFIG-RYUDHWBXSA-N	303.244	1.962	50	20	DDGD	
CCC[C@H](CNC(=O)NNC(=O)Cc1ccccc1OC)OC	296607853	IACJGVHNTBIBMQ-CYBMUJFWSA-N	323.393	1.383	50	20	DDGD	
COc1ccccc1C(=O)NN=Cc1cc(C(=O)O)c(C)[nH]1	800812891	MYTMSTVWBREGIX-UHFFFAOYSA-N	301.302	1.794	50	20	DDGD	
CC(C)c1noc(CCC(=O)NNc2ncc(F)cc2F)n1	297081484	XPCHDQYJXUHORV-UHFFFAOYSA-N	311.292	1.942	50	20	DDGD	
O=C(NNC(=O)c1cc2nn[nH]c2cc1F)Nc1ccccc1	801991008	HXHQZQIAYJGCMY-UHFFFAOYSA-N	314.280	1.564	50	20	DDGD	
CC[C@H](c1ccccc1OC)N(C)CC(=O)NNC(=O)C1CC1	805836608	UNGMJGASTWGQJQ-CQSZACIVSA-N	319.405	1.636	50	20	DDGD	
C/C=C/COc1cccc(CC(=O)NNC(=O)C(C)(C)O)c1	295204443	LGNBTSIVUYKTQS-SNAWJCMRSA-N	306.362	1.102	50	20	DDGD	
COCCCNC(=O)NN=C1CCc2c1ccc(OC)c2F	807965985	OHRMZEKGNJSPBK-UHFFFAOYSA-N	309.341	1.820	50	20	DDGD	
N#Cc1ccncc1C(=O)NNC(=O)Cn1ccc2ccccc21	805178779	XUXVKFBWELQWIA-UHFFFAOYSA-N	319.324	1.369	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(CN2CCCCC2)cc1	293719721	VLOVBKWTUGXFOY-UHFFFAOYSA-N	305.422	1.896	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1ocnc1C1CC1	808681641	FZWTVPQIWKUPDQ-VIFPVBQESA-N	323.349	1.291	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1conc1C1CC1	290911903	WUXHIIDASXNIHE-UHFFFAOYSA-N	303.293	1.695	50	20	DDGD	
CC[C@H]1CCC[C@H]1C(=O)NNC(=O)Cc1cn2ccccc2n1	295409316	VCWHKIJXUGIZCQ-GXTWGEPZSA-N	314.389	1.851	50	20	DDGD	
C#CCN1CCC(C(=O)NNc2ccc(OCC)cc2)CC1	294256302	HMHGOCXSIMXLMS-UHFFFAOYSA-N	301.390	1.874	50	20	DDGD	
CN(NC(=O)C1(Cc2ccc(F)cc2)CCOCC1)C(N)=O	294470255	HWQWZIRVESHNDM-UHFFFAOYSA-N	309.341	1.207	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)C2(C)CCC2)cc1	291099565	DNJMNYVIOSTDLF-UHFFFAOYSA-N	311.407	1.570	50	20	DDGD	
Cc1ccccc1OCC(=O)NNC(=O)NCc1ccco1	804031061	RWLZTURSLLLHOR-UHFFFAOYSA-N	303.318	1.497	50	20	DDGD	
Cc1cccc(CCNC(=O)NNC(=O)[C@H]2CCCCO2)c1	296434129	TWSFYRWPMLEADY-CQSZACIVSA-N	305.378	1.437	50	20	DDGD	
Cc1ccccc1[C@@H](CC(=O)NNC(=O)CC1CC1)NC(N)=O	294150209	MJGZGIQJFGWPNG-CYBMUJFWSA-N	318.377	1.042	50	20	DDGD	
CN(NC(=O)COc1ccc(C#N)cc1)C(=O)OC(C)(C)C	297619129	KIEHREFPFQYCHM-UHFFFAOYSA-N	305.334	1.835	50	20	DDGD	
Cc1ccc(C#N)cc1NC(=O)NNC(=O)[C@@H]1CCCCO1	296343674	HKOCTTJAIANELD-ZDUSSCGKSA-N	302.334	1.589	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNC(=O)Nc1cc(F)cc(F)c1	802004084	FRTZATUJZCIGPW-UHFFFAOYSA-N	323.303	1.782	50	20	DDGD	
COc1nccnc1NNC(=O)c1c[nH]c(C(F)(F)F)c1	816970889	MYHWJIOUURXPID-UHFFFAOYSA-N	301.228	1.589	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2snnc2C)n1	814213657	FVULECABVWXSTJ-UHFFFAOYSA-N	322.419	1.496	50	20	DDGD	
CC(=O)N[C@H](CC(=O)NNc1nc[nH]n1)c1ccc(Cl)cc1	816632315	CSYPUVJKTPZNCT-LLVKDONJSA-N	322.756	1.169	50	20	DDGD	
CCOc1ccc(NNC(=O)CNC(=O)c2ccccc2)cc1	817879310	GVZZKKUAVWTULX-UHFFFAOYSA-N	313.357	1.958	50	20	DDGD	
C[C@H]1CCCC[C@H]1C(=O)NNc1ccc(-n2ccnc2)nn1	819531232	VDAGQZYMJUGJDA-NWDGAFQWSA-N	300.366	1.932	50	20	DDGD	
Cc1c[nH]cc1C(=O)NNc1ccccc1S(=O)(=O)N(C)C	817053712	CWSOFRASDWILBQ-UHFFFAOYSA-N	322.390	1.330	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1ccc2nnc(O)n2c1	817006224	BEKWTBMJIXTIJZ-UHFFFAOYSA-N	304.697	1.240	50	20	DDGD	
C[C@@H]1C(=NNC(=O)N2CCN(C)CC2)CC[C@H](C(=O)O)C1(C)C	814913339	LRMZCVURLPZSII-VXGBXAGGSA-N	324.425	1.456	50	20	DDGD	
CC(=NNC(=O)CC1CC1)c1ccc(S(C)(=O)=O)c(F)c1	814989913	UOXIUBZJESLMPD-UHFFFAOYSA-N	312.366	1.870	50	20	DDGD	
C[C@H](NC(=O)NNc1ncncc1F)c1cccc([N+](=O)[O-])c1	814285054	DEBMHHXMVKYOGU-QMMMGPOBSA-N	320.284	1.911	50	20	DDGD	
Cc1cc(C(=O)NNc2cnnn2C)cc(C)c1OC(F)F	816770311	RXLMIOILLBHNKL-UHFFFAOYSA-N	311.292	1.790	50	20	DDGD	
CO[C@](C)(C=NNC(=O)COc1ccccc1C#N)C1CC1	814743527	JMGKEBMEBSFMBB-MRXNPFEDSA-N	301.346	1.854	50	20	DDGD	
CO[C@H]1CCC[C@H](C(=O)NNc2ccc(-n3ccnc3)nn2)C1	816659825	CKWBKPRWNFAEBL-RYUDHWBXSA-N	316.365	1.311	50	20	DDGD	
O=C(CSC[C@@H]1CCCCO1)NNC(=O)NC1CCCC1	727376920	AZZZJPULGXTQBG-LBPRGKRZSA-N	315.439	1.562	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)C1(C(=O)OC(C)(C)C)CCCCC1	823912142	AFXPSCFKYIIKLV-LBPRGKRZSA-N	314.426	1.622	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@H]1CCN1C1CCCC1	822384847	VRFWAEGWNDAVHB-GFCCVEGCSA-N	300.366	1.189	50	20	DDGD	
CCOC1(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CCCC1	826867780	RBTGHPVNULQENF-VXGBXAGGSA-N	313.398	1.091	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC(F)C2)c1C	490844058	PIDNIPLADNLJBF-VGOFMYFVSA-N	305.353	1.839	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@@H]1CCCN(O)C1=O	820471532	YTSFBRDYEVCCKY-HTQZYQBOSA-N	307.188	1.292	50	20	DDGD	
C=CCCNC(=O)NNC(=O)[C@H](C)Oc1ccc(OCC)cc1	820771350	LVUKOVCSZQNHQA-LBPRGKRZSA-N	321.377	1.759	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C/c1ccc(S(C)(=O)=O)cc1	490639564	XAZAEJLWFNESII-MDWZMJQESA-N	306.387	1.769	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNC(=O)c2ccc3ccccc3c2)CCN1C	825493179	LGGSWLAIYMQQJW-MLGOLLRUSA-N	311.385	1.941	50	20	DDGD	
CN1C[C@H](N(C)C(=O)/C(C#N)=C\c2ccc(F)cc2)CCC1=O	491008106	HJJDVGOFVUJODT-UZGISAJGSA-N	315.348	1.812	50	20	DDGD	
CCC[C@@H](NC(=O)c1cc(B(O)O)ccc1F)c1ccccn1	584943278	PWEIAFHKEKMMTC-OAHLLOKOSA-N	316.141	1.172	50	20	DDGD	
CCC[C@@H](CC)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	824559458	AGVZTIZIZPADDU-GFCCVEGCSA-N	313.442	1.903	50	20	DDGD	
O=C(/C=C/c1ccccc1Br)N1CC[C@H](B(O)O)C1	585076630	YFOYGFSMRHFWMJ-QRGHLMKCSA-N	323.983	1.538	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C	825753455	MIVGKHZFIAASDP-NLLNSEBYSA-N	323.437	1.957	50	20	DDGD	
CCO[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	827149688	RRCNRLUGVUZENK-YVECIDJPSA-N	313.398	1.090	50	20	DDGD	
CCCN(NC(=O)c1cnn2c1OCCC2)C(=O)OC(C)(C)C	495751540	AFRUYPCPCFUBKM-UHFFFAOYSA-N	324.381	1.958	50	20	DDGD	
C[C@H]1CC(=NNC(=O)CCCNC(=O)OC(C)(C)C)CN1C	494023605	LOJVSBYHFATIIR-NSHDSACASA-N	312.414	1.488	50	20	DDGD	
COC(=O)CC1CCN(C(=O)[C@]2(C)C[C@H]2Br)CC1	906370693	BYNFOKGNOQINFF-ZWNOBZJWSA-N	318.211	1.962	50	20	DDGD	
CN(C)c1ccc(C2(C(=O)Nc3cccc(B(O)O)c3)CC2)cc1	584912572	SFESBCZNQLUDOA-UHFFFAOYSA-N	324.189	1.103	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(CCCCNC(=O)NNC(=O)C2CCC2)C1	732240745	IZTCZMHDWICGLK-OKILXGFUSA-N	324.469	1.875	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)/C=C\CN(C)CC(F)(F)F)n1	492880897	NZZHTVKHLLBVTM-PLNGDYQASA-N	317.315	1.587	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	820880577	YOACOOWIDQFZMR-RKDXNWHRSA-N	317.267	1.743	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H](C)Oc1ccc(CCC(C)=O)cc1	823852353	FAZDKFRQUMICPH-CQSZACIVSA-N	322.405	1.321	50	20	DDGD	
CC[C@H](C)C(=O)NN=Cc1ccc(OC)c(-c2nn[nH]n2)c1	736319107	HYTQYSDMUUAFKD-VIFPVBQESA-N	302.338	1.372	50	20	DDGD	
CN1C[C@H]2CC[C@H]1[C@@H](CNC(=O)/C(C#N)=C\c1cnn(C)c1)C2	909745678	UOJGLCWUNRLUKZ-FZDFKUQSSA-N	313.405	1.174	50	20	DDGD	
O=C(Cc1ccccc1O)NNC(=O)Cn1cnc2ccccc21	732259279	BSHFDMGQRJAZCE-UHFFFAOYSA-N	324.340	1.132	50	20	DDGD	
OB(O)[C@@H]1CCN(Cc2ccc(F)c(Br)c2)C1	585077709	XOKWFWJTCJTKBJ-SECBINFHSA-N	301.952	1.637	50	20	DDGD	
COc1cc(OC)cc([C@@H](NNC(=O)CC(C)C)C(=O)O)c1	832057342	OJKQOITVYBOIDN-CQSZACIVSA-N	310.350	1.496	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2CCN(C)CC2)c1F	909360105	XXCSIRMRSNVRNA-UHFFFAOYSA-N	309.341	1.397	50	20	DDGD	
N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cccc(B(O)O)c1	585047443	CBDZWKDWUQWHKT-SFHVURJKSA-N	306.174	1.405	50	20	DDGD	
CC(=NNC(=O)c1c[nH]nc1C)[C@H](C)NC(=O)OC(C)(C)C	496387747	UORSPTHVYYTNOS-QMMMGPOBSA-N	309.370	1.737	50	20	DDGD	
C[C@H](c1ccc(C(=O)NNC(=O)C(C)(C)O)cc1)C(F)(F)F	836783357	GPXVMACSRIFSSP-MRVPVSSYSA-N	318.295	1.884	50	20	DDGD	
CCOC(=O)C[C@H](C)CNC(=O)[C@@]1(C)C[C@@H]1Br	907160133	UNCXMSOUHWGECZ-AUTRQRHGSA-N	306.200	1.865	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1ccc(O)cc1O	731328854	KJEFFIMBKWYMJJ-UHFFFAOYSA-N	304.277	1.241	50	20	DDGD	
CC(=O)N1CCC[C@H](CNC(=O)[C@]2(C)C[C@H]2Br)C1	907891883	HJHVGAYLMIFWGA-NQBHXWOUSA-N	317.227	1.535	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)C[C@@H]1SC(=N)NC1=O	836935628	YTBAUPYMTUOUGX-QMMMGPOBSA-N	312.782	1.648	50	20	DDGD	
CCn1cc(C(=O)NNc2ccc(C(=O)O)cc2OC)cn1	833682677	SGNGMMDBQWJYIK-UHFFFAOYSA-N	304.306	1.367	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)o1)c1cccc(N2CCCC2)c1	585028407	JMOYNLHDXAQIRY-ZDUSSCGKSA-N	314.194	1.410	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCOC[C@@H]1CCCO1	734516790	KGLHHEHJOFJLNW-ZDUSSCGKSA-N	321.377	1.135	50	20	DDGD	
C=C(CC)CNC(=O)NNC(=O)COc1ccc(C#N)cc1	838721368	XEPKLIJEJJKRFF-UHFFFAOYSA-N	302.334	1.234	50	20	DDGD	
CC(C)CC[C@H]1CCCN1C(=O)c1ccc(B(O)O)c(F)c1	584962427	FUKVMIMKVNSCNN-CYBMUJFWSA-N	307.174	1.546	50	20	DDGD	
CC[C@H]1C[C@H](C)CN1CC(=O)NNC(=O)Cc1ccccc1C	839505379	QOAZSSABAXTZNW-BBRMVZONSA-N	317.433	1.805	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=Cc1c(C)nnn1CC	834921961	LEBMXSXPUGCLNH-UHFFFAOYSA-N	315.377	1.698	50	20	DDGD	
O=C(NNc1c(F)cccc1F)c1ccc(-c2nn[nH]n2)cn1	738136211	BYYYVBGLNAOJRE-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
CC(CCN(C)C)=NNC(=O)c1nnc(O)c2ccccc12	915947630	YTVFMEKJIBXBDF-UHFFFAOYSA-N	301.350	1.393	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1ccc(OC(F)F)cc1	833384706	MBWDDHNADFCVOV-UHFFFAOYSA-N	301.249	1.396	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)[C@H]1CCCCO1	833235519	FYXJYJJGYKJQPK-ZUZDESBRSA-N	316.401	1.097	50	20	DDGD	
CCO[C@H](CC)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	919972687	JTNAVIKACLCHKG-GXFFZTMASA-N	312.341	1.556	50	20	DDGD	
CN(C)C(=O)NN=Cc1ccc(OCCN2CCCC2)cc1	745602028	KYNJXUJOUVHUFY-UHFFFAOYSA-N	304.394	1.766	50	20	DDGD	
CC(=NNC(=O)c1nnc(-c2ccccc2)o1)[C@H]1CCOC1	741762864	VJMRCPVJZRWUTG-LBPRGKRZSA-N	300.318	1.879	50	20	DDGD	
O=C(NN=Cc1ccccc1N1CCOCC1)c1ccccn1	912773310	IPXQAFRJKBJLFA-UHFFFAOYSA-N	310.357	1.682	50	20	DDGD	
CC(C)SCC(=O)NNC(=O)Cc1nc2ccccc2n1C	914459774	KPMSAFQKHGIGAB-UHFFFAOYSA-N	320.418	1.405	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CCCS2(=O)=O)c(Cl)c1	848196505	CITXRNLYWVXMFA-NSHDSACASA-N	302.783	1.669	50	20	DDGD	
O=C(CCN1CCCCCC1)NN=Cc1ccc(O)c(O)c1O	916355973	SAUCMVBOCDAXOL-UHFFFAOYSA-N	321.377	1.520	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1CCCCN1S(C)(=O)=O	848080107	CXFLLORESHUFAJ-QMMMGPOBSA-N	317.238	1.063	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1cc2ccccc2o1	842592142	JFBVCFABRAHMQK-MWLCHTKSSA-N	324.358	1.167	50	20	DDGD	
N[C@H](CNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)C1CC1	846673592	CSYDDCJKYQFMSY-BQKRADJCSA-N	301.228	1.794	50	20	DDGD	
C[C@@H](C(=O)NNc1nc(-c2cccnc2)no1)c1cnn(C)c1	749988396	XXPOKCJFBGTJIQ-SECBINFHSA-N	313.321	1.112	50	20	DDGD	
Cn1ncc2c1CCCN(C(=O)[C@]1(C)C[C@H]1Br)C2	910402034	OOONGMYGMWWCSY-DGCLKSJQSA-N	312.211	1.868	50	20	DDGD	
O=C(NNc1nccnc1Cl)[C@H]1CCc2ncncc2C1	844134754	PMKKYARRAAKQNJ-QMMMGPOBSA-N	304.741	1.168	50	20	DDGD	
COc1c(F)cc(S(=O)(=O)N2CC=C(C#N)CC2)cc1F	914343204	OAWVUFSISPADSE-UHFFFAOYSA-N	314.313	1.818	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cc(CO)ccn1	911233371	LUNDGKWIVYFKPZ-UHFFFAOYSA-N	308.769	1.878	50	20	DDGD	
COCC(=NNC(=O)C1CCN(c2ncccn2)CC1)C(C)C	741464331	OIDMIRVCKZAKAZ-UHFFFAOYSA-N	319.409	1.468	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1cccc2c1OCCO2	742376276	OHHWCWXIEYWVBP-UHFFFAOYSA-N	317.301	1.195	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cnn(-c2ccccc2)c1	748252440	DXXLPFGKODNNSJ-ZDUSSCGKSA-N	316.361	1.374	50	20	DDGD	
O=C(NCCCn1cncn1)NNc1cc(F)c(F)c(F)c1	746744527	NNRANVWBWNBDPP-UHFFFAOYSA-N	314.271	1.412	50	20	DDGD	
N#Cc1c[nH]c(C(=O)NNC(=O)Cc2ccc(Cl)cc2)c1	748287097	GSVRBNDUFKSVQA-UHFFFAOYSA-N	302.721	1.543	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1ccncc1F	741284544	LFETZIJZKJBPKU-UHFFFAOYSA-N	309.322	1.381	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCCc2cc(C#N)ccc21	748258632	BGBATEVNEDFRSX-LBPRGKRZSA-N	315.373	1.766	50	20	DDGD	
CCn1nncc1C=NNC(=O)COc1cc(C)ccc1C	841607287	UKSSUMGKXXMMEP-UHFFFAOYSA-N	301.350	1.444	50	20	DDGD	
CC(C)(CO)C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	848044482	JPZSKGJSUFIXAK-UHFFFAOYSA-N	317.292	1.459	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CCO[C@H]2C)cc([N+](=O)[O-])c1O	842560608	YELXSHUSJOVILN-WPRPVWTQSA-N	323.305	1.184	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	843974411	KIVMZYJGKDCHLI-OCCSQVGLSA-N	318.373	1.530	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)COc2ccc(C)cc2)[C@H]1OC	841608823	MVTNCQWQMLGCFH-GDBMZVCRSA-N	306.362	1.670	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2nc3c(s2)CCC3)n1	924583387	YVQZXCFIRRBIHB-UHFFFAOYSA-N	318.406	1.865	50	20	DDGD	
CCCC[C@@H](CN)NC(=O)NNC(=O)c1cc2ccccc2o1	841956609	ADCWKUIMQSOQRK-LBPRGKRZSA-N	318.377	1.894	50	20	DDGD	
CCSc1ccccc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843645386	HNWUGRVNAMRQAL-QWRGUYRKSA-N	308.403	1.985	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1nc(CC(=O)OC)cs1	755420445	JZHLZPDQHOYAMB-SSDOTTSWSA-N	314.367	1.057	50	20	DDGD	
CC1CC(C#N)(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	758148136	DSNXBLZZNBUWKO-UHFFFAOYSA-N	302.290	1.296	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=Cc1[nH]cnc1C	755510550	JBOFKCGIKOUVTP-UHFFFAOYSA-N	302.334	1.646	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)C1CC1)Nc1ccc(Cl)cc1Cl	854377969	AFYPKJLNIMAWTI-JTQLQIEISA-N	318.160	1.917	50	20	DDGD	
CSc1ccc(NC(=O)NNC(=O)c2cnccn2)nc1	758002758	IJSHZMKHZLLLFS-UHFFFAOYSA-N	304.335	1.060	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@](C)(O)c1cccc(C(F)(F)F)c1	754845052	FDYPDRQOPGSQKI-LBPRGKRZSA-N	319.283	1.263	50	20	DDGD	
COC(=O)[C@H]1CCCC(=NNC(=O)c2cccc(C(=O)O)c2)C1	853425729	ICDKIJXLJRKGSG-LBPRGKRZSA-N	318.329	1.834	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)C(F)(F)c1nccs1)C1CC1	855098653	GNCZKIVNFWXARW-LURJTMIESA-N	320.390	1.529	50	20	DDGD	
O=C(NN=Cc1cccc2[nH]ccc12)C(=O)Nc1ccccn1	755767668	CRYWNWVSPFFKGG-UHFFFAOYSA-N	307.313	1.652	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CCc3nncn3C2)ccc1Cl	928339490	FMMLYHZAZKILSE-JTQLQIEISA-N	305.769	1.946	50	20	DDGD	
CC(C)OC(=O)CCNC(=O)NNc1ncc(Cl)cn1	856832256	CDKATMKUWFVXPB-UHFFFAOYSA-N	301.734	1.098	50	20	DDGD	
CC[C@@H](C)CCNC(=O)NNC(=O)COCc1ccccc1	852132264	NPXWRUIBEHTSET-CYBMUJFWSA-N	307.394	1.970	50	20	DDGD	
Cn1cccc(NC(=O)NC[C@@]2(C)C[C@H]2Br)c1=O	856840900	WRTRSWYAXYNSOL-BXKDBHETSA-N	314.183	1.680	50	20	DDGD	
C=CCC[C@H](CO)NC(=O)NC[C@@]1(C)C[C@@H]1Br	856957981	IVBAWDBVFDVKHQ-JFGNBEQYSA-N	305.216	1.786	50	20	DDGD	
CCC(=O)c1cc(C(=O)NNC(=O)c2ccncc2)ccc1F	756848204	YDIBINAXBWYZSK-UHFFFAOYSA-N	315.304	1.888	50	20	DDGD	
CC(C)SCC(=O)NNC(=S)NCCc1cccs1	920431650	KPWBSCKVFYNXAD-UHFFFAOYSA-N	317.505	1.928	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H](C)[C@@H]2CCCOC2)c1	858353288	KDIOZEHLIWVGRI-WDEREUQCSA-N	311.407	1.816	50	20	DDGD	
COC[C@H](NC(=O)NNc1ccc([N+](=O)[O-])cc1F)C1CC1	853886700	GLJANBPOCZQYII-LBPRGKRZSA-N	312.301	1.785	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1ccc(O[C@H]2CCOC2)cc1	853309754	WAXOFSBHRNVTFC-AWEZNQCLSA-N	314.345	1.650	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2cc(C(N)=O)cs2)c1	755881315	XJMNRXZLYQESFY-UHFFFAOYSA-N	317.370	1.685	50	20	DDGD	
CCS[C@H]1CCCC[C@H]1NC(=O)NNC(=O)c1cn[nH]c1	858273498	ZTLORAZBMGLRKS-MNOVXSKESA-N	311.411	1.418	50	20	DDGD	
C[C@]1(C(=O)O)CCN(C(=O)NC[C@]2(C)C[C@@H]2Br)C1	857100258	FGFBLFLRUGODHT-UWJYBYFXSA-N	319.199	1.666	50	20	DDGD	
COc1cccn2ncc(C(=O)NNC(=S)NC(C)(C)C)c12	929428351	DEENBXIUBQDASG-UHFFFAOYSA-N	321.406	1.250	50	20	DDGD	
C#CCN(CC(=O)NNc1cc(C)ncn1)C(=O)OC(C)(C)C	857127186	MTWWIFLCCRYZDT-UHFFFAOYSA-N	319.365	1.098	50	20	DDGD	
COC[C@H](NC(=O)NNc1cc(F)ccc1F)[C@@H]1CCCO1	922251775	ZDMGBIZNCOBGKV-STQMWFEESA-N	315.320	1.785	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cccc(CN2CCCC2=O)c1	755685747	ARMLPUXDXUWDMX-UHFFFAOYSA-N	304.350	1.372	50	20	DDGD	
C[C@@]1(CNC(=O)CCN2CCOC2=O)C[C@H]1Br	857401414	LVITUVPSOACTTI-KCJUWKMLSA-N	305.172	1.118	50	20	DDGD	
O=C(NN=C1CCc2c(F)cccc21)[C@@H]1CN2CCC[C@@H]2CO1	853387993	XHKCKWKGOIUSGK-BZNIZROVSA-N	317.364	1.455	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1C1CCCC1)OCC(F)(F)F	856022199	UJDGILDZQJGSGB-SNVBAGLBSA-N	323.315	1.713	50	20	DDGD	
O=C(NCCC[C@H]1CC1(Cl)Cl)NNC(=O)c1cn[nH]c1	858591816	KTPPVKSMDRVKGN-QMMMGPOBSA-N	320.180	1.328	50	20	DDGD	
C[C@@]1(CNC(=O)NCc2cncnc2N)C[C@H]1Br	856954237	PQXXMHDIEXAEAB-KCJUWKMLSA-N	314.187	1.032	50	20	DDGD	
CCOC(=O)N1CCC(C)(C=NNC(=O)c2cnccn2)CC1	853286880	NXSWXDSJJJSQJQ-UHFFFAOYSA-N	319.365	1.451	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2ccc(Cl)cn2)CN1C1CC1	852195627	IVINOOYZUQHSPG-MWLCHTKSSA-N	309.801	1.986	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc3n[nH]cc3c2)nc1	759724891	ISFRTQNOXRHYEJ-UHFFFAOYSA-N	311.301	1.501	50	20	DDGD	
COCC(=O)NNC(=O)Nc1sc(C)nc1CC(C)C	757687913	UMLXRXGOPHJEKG-UHFFFAOYSA-N	300.384	1.449	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1C	853388182	FDKGLDIEQFJHRZ-ZBFHGGJFSA-N	301.390	1.698	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C(C)(C)c1cccnc1	854283487	XZJBJYJICFKQFK-UHFFFAOYSA-N	324.450	1.233	50	20	DDGD	
C[C@H](OCc1ccccc1)C(=O)NNC(=O)OCC(F)(F)F	856022540	GFPBUZOGJCTXEZ-VIFPVBQESA-N	320.267	1.911	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2c(C)cnn2C)c1C	855624205	FGMPPUUYTROQIQ-UHFFFAOYSA-N	302.334	1.580	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NC[C@@H](O)c1ccncc1	752641769	UGZXIQUCWMHOJL-SCZPIIQISA-N	311.316	1.977	50	20	DDGD	
CCNC(=O)c1cccc(NC(=O)NNC(=O)CC2CC2)c1	755514533	RGVCIWZVYXKHIN-UHFFFAOYSA-N	304.350	1.389	50	20	DDGD	
C[C@@H]1CCN(C(=O)NC[C@]2(C)C[C@@H]2Br)C[C@H]1CN	857105314	JFFZUTJZBQSVOB-DCQANWLSSA-N	318.259	1.786	50	20	DDGD	
CC(C)Nc1ccc(C(=O)NNC(=S)NCC2CCC2)cn1	855090459	WWXKKBLVRVJLEF-UHFFFAOYSA-N	321.450	1.811	50	20	DDGD	
Cn1c(=NNC(=O)NC[C@]2(C)CCCO2)sc2ccccc21	755232872	XWVFAPWLPKPWCR-HNNXBMFYSA-N	320.418	1.924	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2[nH]c(-c3ccccc3)nc2C)n[nH]1	768275920	DKIJTAANFNRYCB-UHFFFAOYSA-N	324.344	1.491	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cnn(C2CCC2)c1	934305274	HYTGKCHLADTWAJ-JOYOIKCWSA-N	307.354	1.186	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CCCn2cccn2)n1	762900271	SVLPNLVOLMLQIZ-UHFFFAOYSA-N	317.397	1.443	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@@H]1CCCC[C@H]1N1CCOCC1	763105181	DHXOBIYJAGFKPJ-QETREBILSA-N	307.394	1.190	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NNC(=O)c1cccc(C#N)c1	862995207	ZHVHLBDGUDNXSG-ZDUSSCGKSA-N	300.362	1.192	50	20	DDGD	
COCCn1nc(C)c(NC(=O)NN=c2cc[nH]c(C)c2)c1C	860868940	BBWQKLMVKCHQKF-UHFFFAOYSA-N	318.381	1.420	50	20	DDGD	
Cc1cccc2sc(NNC(=O)NC[C@@H]3CNC(=O)C3)nc12	868701933	WGOQLCRSDHOKGM-VIFPVBQESA-N	319.390	1.367	50	20	DDGD	
N#CC1=CCN(C(=O)C2CCN(CC(F)(F)F)CC2)CC1	767158291	VXTVYMRBPVLOBB-UHFFFAOYSA-N	301.312	1.943	50	20	DDGD	
COC1(C(=O)NNC(=O)NCc2ccco2)CCCCCC1	930732690	RSXKXXLPAFIROA-UHFFFAOYSA-N	309.366	1.849	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@@H]1CCCN(CC(F)F)C1	867754240	HYEHGTYSVHEVCD-SNVBAGLBSA-N	324.335	1.150	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(-c3cc[nH]n3)s2)n[nH]1	762193390	LZPMSKWOOJXEED-UHFFFAOYSA-N	316.346	1.245	50	20	DDGD	
C[C@@H](NNC(=O)C(=O)Nc1c(F)cccc1F)C(F)(F)F	862322306	KEOKNJOIFZKHNZ-RXMQYKEDSA-N	311.210	1.475	50	20	DDGD	
CCOC(=O)C1(C(=O)NNCC(F)(F)C(F)(F)F)CCC1	863098182	XNVRGCPMPPCRAI-UHFFFAOYSA-N	318.242	1.538	50	20	DDGD	
Cn1cnnc1COC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	869461148	BHTCHKGPPSGIAB-HOTUBEGUSA-N	314.183	1.812	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C)n([C@H](C)CC)n1	764080775	ALSDYIMNCZVFSS-NXEZZACHSA-N	323.397	1.295	50	20	DDGD	
C[C@H]1[C@@H](C)N(S(=O)(=O)CC(C)(C)CCl)CC[S@]1=O	866818223	UIQWNFCPUJGPPM-GPHJXTMHSA-N	315.888	1.423	50	20	DDGD	
Cc1cccc(NNC(=O)c2ccnc(NC(=O)C3CC3)c2)n1	862519708	PDRNUSFKEYRDOH-UHFFFAOYSA-N	311.345	1.890	50	20	DDGD	
C[C@@H](NNC(=O)c1nnc2ccccc2c1O)C(F)(F)F	862313813	ORAMFOSMQLGLLF-ZCFIWIBFSA-N	300.240	1.521	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H](C)Cn1ccc(C)n1	867225499	URTKGRXDOOXXRF-NSHDSACASA-N	316.361	1.758	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H](F)c2ccccc2)c1O	768979180	ACMQKGJMSJCQDB-ZDUSSCGKSA-N	318.304	1.873	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)c2ccc(C(=O)O)cc2)c1C	872410191	HEWVENFSMAZGBS-UHFFFAOYSA-N	314.345	1.982	50	20	DDGD	
COc1cc(C)c(NC(=O)C(=O)NNc2cccnn2)cc1F	1116711993	LAAIXSBQYIYWGK-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)CNc1cccc(OC)c1	878038925	SZELAXZDDJZMIJ-UHFFFAOYSA-N	309.366	1.070	50	20	DDGD	
CCONC(=O)CNC(=O)NNc1cccc(F)c1Cl	875698732	YJMQPEMJYOPUQV-UHFFFAOYSA-N	304.709	1.173	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCCCOc1ccccc1	1116016593	WMXNSSVPXSQOFF-UHFFFAOYSA-N	309.366	1.213	50	20	DDGD	
CO[C@H]1CCC[C@@H]1CNC(=O)NNC(=O)Cc1ccc(F)cc1	774790630	VVHGQIWYRZOPGM-OCCSQVGLSA-N	323.368	1.514	50	20	DDGD	
CC[C@@H](C)n1nc(C(=O)NNc2nnc(C)c(O)n2)cc1C	778505141	WEDXMDGQHZEMTN-SSDOTTSWSA-N	305.342	1.118	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@H](C)c1ccc(F)cc1	772109127	ICYOVGONQZDUQH-QWRGUYRKSA-N	324.352	1.808	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2c3c[nH]nc3CC[C@H]2C)n1	878039027	VUPRLQWBUFUFGU-OQPBUACISA-N	300.366	1.626	50	20	DDGD	
COC(=O)[C@@H](C)n1cccc1C=NNC(=O)CC(F)(F)F	774587458	PYTAGKNWXFCJNA-MRVPVSSYSA-N	305.256	1.625	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)c3cccc(Cl)c3)nc21	770972976	XHCYNYRJUUYBSU-UHFFFAOYSA-N	318.724	1.479	50	20	DDGD	
COc1cccc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)c1	771879938	BKUDXJYKEZKTKF-NSHDSACASA-N	322.361	1.434	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(C)c(C(=O)N(C)C)c1	878892172	QUGAWKIRGCAXPD-UHFFFAOYSA-N	308.338	1.432	50	20	DDGD	
COC1(C(=O)NNc2ccnc(Br)c2)CCC1	771551728	KODYSUDIKIWMJD-UHFFFAOYSA-N	300.156	1.856	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@@H]1CCC[C@@H]1OC	774717049	NODVJUHASHBZJJ-AAEUAGOBSA-N	321.377	1.454	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccc(O)c(C)c2)cc1	779379793	JFJZRTSXHQYXLZ-UHFFFAOYSA-N	314.341	1.849	50	20	DDGD	
O=C(Cn1cc(NC(=O)NNc2ccccc2)cn1)NC1CC1	770049665	UIPXKFHPFDJADR-UHFFFAOYSA-N	314.349	1.310	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2SCCCS2)cc1O	882051355	KJFNNPJANJVFPK-UHFFFAOYSA-N	312.416	1.658	50	20	DDGD	
CC(C)c1ccc(C(=O)NNc2ccnc(N(C)C)n2)cn1	772457055	JDULRMXEXTXAIQ-UHFFFAOYSA-N	300.366	1.818	50	20	DDGD	
Cc1ccc(C(=O)NN(C)C(N)=O)cc1NC(=O)OC(C)(C)C	778412927	VNDYYWUKZRHTBL-UHFFFAOYSA-N	322.365	1.997	50	20	DDGD	
O=C(C1CCC(Cl)CC1)N1CCS(=O)(=O)C[C@@H]1C1CC1	1123895745	JDVWOBPXDHKJMY-WXRRBKDZSA-N	319.854	1.820	50	20	DDGD	
Cc1cc([C@](C)(O)CNS(=O)(=O)CCCCl)c(C)o1	881933408	VCMUFOMCNZPBMI-GFCCVEGCSA-N	309.815	1.652	50	20	DDGD	
COc1ccc(CCS(=O)(=O)N2CC=C(C#N)CC2)cc1	788657966	MKLUIUATCBMDMY-UHFFFAOYSA-N	306.387	1.723	50	20	DDGD	
COC(=O)C[C@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)C1CC1	787416124	HKYRWMZDGDBBEF-NRUITVPNSA-N	314.341	1.757	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(O[C@H]2CCOC2)cc1	887148014	KXRHTESTTZBKFQ-HNNXBMFYSA-N	316.357	1.419	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1cnn(-c2ccccc2)c1	780711474	LTTJIULXYXWQNR-UHFFFAOYSA-N	301.350	1.107	50	20	DDGD	
Cc1coc(C)c1C(=O)NNC(=O)COc1ccccc1O	786121086	HRXWLVUYLXCDGX-UHFFFAOYSA-N	304.302	1.442	50	20	DDGD	
CC(C)(C)[S@@](=O)CCNC(=O)NNc1ncncc1Cl	780990738	SOMAABQEIVBAAA-FQEVSTJZSA-N	319.818	1.303	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H]1C[C@@H]1c1cc(OC)ccc1OC	788088917	RJXQYBFDRYGSAL-DGCLKSJQSA-N	321.377	1.548	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)Nc1ccc2c(c1)OC(F)(F)O2	782017166	ZZGCOTSAPZKMLO-UHFFFAOYSA-N	308.244	1.974	50	20	DDGD	
O=C(NCc1ccc(F)cc1)C(=O)NNc1ccnc(F)c1	781360945	MBCBWOIORBADRE-UHFFFAOYSA-N	306.272	1.119	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2)on1)c1cncc(O)c1	785749918	QVXFFRKQWDDWKP-UHFFFAOYSA-N	324.296	1.517	50	20	DDGD	
COc1cccc(C[C@@H](O)C(=O)NNc2ccc(F)cc2)c1	785403961	MXYNLZJWZGPOMS-OAHLLOKOSA-N	304.321	1.881	50	20	DDGD	
COC[C@@H](CNC(=O)NNc1cc(F)c(F)cc1F)OC	781387565	MGNUDTYEWOFICC-SSDOTTSWSA-N	307.272	1.391	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@H]1CCC(=O)c2ccccc21	786098667	IIUWGSCLEZSXKI-HNNXBMFYSA-N	323.352	1.532	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cccc3oc(C)nc23)n1	794071352	CXLHTPGQVSHCAQ-UHFFFAOYSA-N	310.313	1.914	50	20	DDGD	
CC(C)OC1CCC(NS(=O)(=O)CBr)CC1	703786425	DFGKDFSJYPSKKM-UHFFFAOYSA-N	314.245	1.994	50	20	DDGD	
CN(C)C(=O)c1ccnc(NC(=O)NNC(=O)C2CCCC2)c1	794271789	PJZUEVXWFKMOBC-UHFFFAOYSA-N	319.365	1.126	50	20	DDGD	
O=C(CCc1cnc[nH]1)NNc1ccnc(Br)c1	793833926	JDDYXCCADZSQGK-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
O=C(NNc1ccc(F)cc1)C(=O)Nc1cccc(Cl)n1	793018204	OYOCDCBYVJMTIS-UHFFFAOYSA-N	308.700	1.956	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-]	798305416	ZTRMMEBNYRDZRS-UHFFFAOYSA-N	312.326	1.337	50	20	DDGD	
Cc1cccnc1NNC(=O)c1ccc(N2CCNC2=O)cc1	791224516	VMBSJXLLHYJPBN-UHFFFAOYSA-N	311.345	1.677	50	20	DDGD	
COC(=O)N(C)N=C(C)[C@H]1CN(Cc2ccccc2)CCO1	794958296	UMOOZKHCXFSXNH-OAHLLOKOSA-N	305.378	1.962	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1ccccn1	795176558	COPCHRUGMUJQDR-UHFFFAOYSA-N	320.374	1.089	50	20	DDGD	
O=C(Cc1coc2ccccc12)NNC(=O)N1CCOCC1	795819984	VCWYMAQDWAZXIX-UHFFFAOYSA-N	303.318	1.048	50	20	DDGD	
Cc1n[nH]cc1C1CCN(C(=O)NNC(=O)C2CCCC2)CC1	790829546	DXMVKLAKORXBFF-UHFFFAOYSA-N	319.409	1.829	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CSCc2ccncc2)n1	794075974	CZLWTWDWRODUTG-UHFFFAOYSA-N	316.386	1.479	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)Nc1cccnc1	797359081	YRFKSNAMGNXZOT-ZDUSSCGKSA-N	314.301	1.074	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1c(Cl)ccc2c1CCO2	797666647	BCHIKEDUMIGZMC-UHFFFAOYSA-N	312.757	1.973	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)NCC(F)(F)F)ccc1Cl	798313524	JDMFBTRFXQPBEW-UHFFFAOYSA-N	320.658	1.718	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@H]2CCN(C(C)C)C2)n1	792944371	CCENIBVGCDJKEN-CYBMUJFWSA-N	319.409	1.064	50	20	DDGD	
C[C@@H](OC1CCCCC1)C(=O)NNC(=O)NCc1ccco1	1318608557	VNQXPHVIXMIGPC-LLVKDONJSA-N	309.366	1.848	50	20	DDGD	
Cc1nn(C)c(C)c1CCC(=O)NNc1nncc(N)c1Cl	1319303846	WAHLIRIZFWJZEX-UHFFFAOYSA-N	323.788	1.138	50	20	DDGD	
O=C(NNC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C1CCCC1	1317835184	JOBDQWIMZSXIKR-VDQHWBOFSA-N	306.406	1.655	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)NC/C=C/C1CC1	1324643970	NJIFWKCVBKMXCZ-ONEGZZNKSA-N	305.334	1.068	50	20	DDGD	
C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)NNC(=O)c1cn[nH]c1	1329759514	PBPBWGWIZQEBLK-CBAPKCEASA-N	319.287	1.427	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H]1CCCCN1Cc1ccncc1	1324332765	YBVSKJMDKSASOA-HNNXBMFYSA-N	316.405	1.384	50	20	DDGD	
Cc1ccc(C[C@@H](C)NC(=O)NNC(=O)C2CCNCC2)s1	1325366897	RLDFKIGYDKPOQN-SNVBAGLBSA-N	324.450	1.318	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)c2cncn2-c2ccccc2)CO1	1326070705	IKJGFDMJIVPRPB-VXGBXAGGSA-N	314.345	1.058	50	20	DDGD	
COC(=O)C(=O)NN=Cc1cc(Cl)ccc1Br	1322285325	DOXAQUROJDVGNN-UHFFFAOYSA-N	319.542	1.726	50	20	DDGD	
Cn1cc(C(=O)NNc2ncncc2F)c(-c2ccncc2)n1	1330459198	JTBKXTWJEKWMFS-UHFFFAOYSA-N	313.296	1.168	50	20	DDGD	
CN(C)[C@H]1CCCC[C@@H]1NC(=O)NNc1ccc(C#N)cn1	1331290774	ZLJPOCBLVCQAAZ-STQMWFEESA-N	302.382	1.452	50	20	DDGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)C(=O)NC1CC1	1334937431	SQEIGULGJJWLNV-UHFFFAOYSA-N	317.267	1.349	50	20	DDGD	
CC(C)(CNC(N)=O)NC(=O)[C@@H](Br)C(C)(C)C	1336208161	YCYJKEMVIHBYET-SSDOTTSWSA-N	308.220	1.359	50	20	DDGD	
COC(=O)c1occc1C=NNC(=O)CCN1CCC(C)CC1	1337095171	JVSBLLOPKLOLGQ-UHFFFAOYSA-N	321.377	1.638	50	20	DDGD	
CCCNC(=O)[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(F)cc1	1347438366	VCPVAJRLCSDTDG-NASPGAHYSA-N	303.337	1.764	50	20	DDGD	
Cc1cnn(CC2CC2)c1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	1345791898	QOSXMTZGBXDZSE-PWSUYJOCSA-N	321.381	1.179	50	20	DDGD	
N#C[C@@H]1CN(S(=O)(=O)c2ccc(CCCl)cc2)CCO1	113199183	AOJOEVOHYYWBOW-GFCCVEGCSA-N	314.794	1.381	50	20	DDGD	
Cc1ccc(-c2nn[nH]n2)cc1C(=O)NN(C)c1ccccn1	1605791965	CYXRHLPICUULRW-UHFFFAOYSA-N	309.333	1.351	50	20	DDGD	
O=C(NNC(=O)[C@@H](C(=O)O)C1CC1)c1cc2ccccc2o1	1605814884	YVVDBEKTOJTQNQ-LBPRGKRZSA-N	302.286	1.305	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cc3ncccn3n2)c(F)c1	1602383672	WWSHZIYELUNCOO-UHFFFAOYSA-N	315.264	1.324	50	20	DDGD	
Cc1ncccc1C(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1607988260	KBQLLGYOFUMXFL-UHFFFAOYSA-N	320.374	1.597	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2cc(F)cnc2O)cc1	1602128992	JJOSSJDGCOLPPN-UHFFFAOYSA-N	305.265	1.310	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@]1(C(=O)O)CCSC1	1601045567	GAXFCMHHPRUCGG-OCOPJHETSA-N	318.354	1.376	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NC1(C(=O)O)CCCC1	1601046351	SXTKDNKZGHPDPO-XFXZXTDPSA-N	300.314	1.813	50	20	DDGD	
CCCNC(=O)NNC(=O)Cn1cc(C(=O)O)c2ccccc21	1605330647	CNJKSCZZCHCPGD-UHFFFAOYSA-N	318.333	1.080	50	20	DDGD	
CCS[C@@H]1CCC[C@H]1NS(=O)(=O)CBr	227980779	XEZOYQGHFGWLFS-HTQZYQBOSA-N	302.259	1.932	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)CNCCOC	1578265464	BSCQVNJHGWYRLH-UHFFFAOYSA-N	324.450	1.111	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cnccn2)C1	1842384403	QBBQMRXHJRDDOO-NSHDSACASA-N	322.796	1.311	50	20	DDGD	
C#CCCCCC(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1846488358	CBQRMJDPGQUCRV-CYBMUJFWSA-N	314.788	1.918	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@H]1CCC[C@@H](C(=O)O)C1	1589831619	COMQSSTXLKRSQA-DTWKUNHWSA-N	301.412	1.171	50	20	DDGD	
C[C@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cn1)c1ccncc1	1589792632	HFIKZMRSZPSRCB-SNVBAGLBSA-N	324.348	1.294	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H]1C[C@H](C(=O)O)c2ccccc21	1596509640	SUESSCQTTRFCPR-XACNLCELSA-N	300.314	1.860	50	20	DDGD	
O=C(O)/C=C/c1cc(C(=O)NNc2ncc(F)cc2F)co1	1594967688	DWQUSOVTRYMEOK-OWOJBTEDSA-N	309.228	1.808	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cc1ccc(C(=O)O)cc1)C1CC1	1593188811	ASDRUIYEFCQJHM-SECBINFHSA-N	321.402	1.221	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCC[C@H](F)C1	1593162179	LEKXBZTZRXSZRX-QWRGUYRKSA-N	304.329	1.838	50	20	DDGD	
COc1cc(C(=O)O)ccc1C=NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	1776090854	FGHHUINXALYSFO-JHJVBQTASA-N	318.329	1.411	50	20	DDGD	
CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(C)=O)C[C@@H]21	1789860847	DDBTYXXPKTWTTF-CYDGBPFRSA-N	302.802	1.003	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cccc(-n2cccn2)n1	150883473	FHAYAAJULNHWHW-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@@H]1CCCOc2ccccc21	158705913	ZXIUJRYOZBJMCH-GFCCVEGCSA-N	314.345	1.873	50	20	DDGD	
O=C(NNC(=O)C1[C@H]2CCC[C@@H]12)c1cc(-c2cccs2)n[nH]1	151100506	DWCNZWOLTUULKC-PHXKMMTBSA-N	316.386	1.945	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cccc2[nH]c(=O)oc12	152747837	MGPVMGVHIUBJGP-UHFFFAOYSA-N	320.374	1.030	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNC(=O)CCc1ccccc1O	153612473	DTFSOBUFDKTKSK-UHFFFAOYSA-N	316.361	1.136	50	20	DDGD	
CCC(=O)c1cccc(S(=O)(=O)NNC(=O)c2ccc[nH]2)c1	159866364	YHQNZBRZDWLPMD-UHFFFAOYSA-N	321.358	1.231	50	20	DDGD	
O=S(=O)(NCCn1cnnc1)c1ccc(CCCl)cc1	381896900	KTBLRZWXNGQBFB-UHFFFAOYSA-N	314.798	1.038	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H](CNS(=O)(=O)CCl)C1CC1	830995846	NDARJQKYPCHJML-SECBINFHSA-N	312.819	1.405	50	20	DDGD	
Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccs2)cc1	10730862	HJCVNSCRRZIVCW-UHFFFAOYSA-N	318.354	1.675	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)Cc1cccnc1	112815247	DYYGUDFEXBTTDL-OCCSQVGLSA-N	305.378	1.367	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCc2c(C)n[nH]c2C)n1	174488814	RRZAYHAJGCZZMP-UHFFFAOYSA-N	304.354	1.209	50	20	DDGD	
CCOCC(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C	58164733	SUWJQJBNTKWAGI-UHFFFAOYSA-N	315.373	1.892	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccccn2)cc(OC)c1C	27694446	RJZADAUYJMUOQO-UHFFFAOYSA-N	315.329	1.482	50	20	DDGD	
CCNC(=O)NNC(=O)CCCC(=O)c1ccc(OC)cc1	65189402	USWBJRFXYAIVKV-UHFFFAOYSA-N	307.350	1.399	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2F)on1)NC1CC1	64900455	XOOQTJVTSQJIGB-UHFFFAOYSA-N	304.281	1.587	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnc([C@H]2CCCO2)s1	119928698	IKWXLWOQCMNHNL-SECBINFHSA-N	312.395	1.739	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)Cc2c(C)noc2C)cc1	60526490	NGCOYWMILPRESF-UHFFFAOYSA-N	316.361	1.402	50	20	DDGD	
Cc1cc(S(N)(=O)=O)cc(C(=O)NNc2ccccn2)c1C	181228914	FNNARIOBJHICLR-UHFFFAOYSA-N	320.374	1.103	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)c2cccc(Cl)c2)CC1	173618075	CQTJWDJNTIJRET-UHFFFAOYSA-N	310.737	1.444	50	20	DDGD	
N#Cc1ccc(CC(=O)NNC(=O)COCc2ccccc2)cc1	172453028	BIKATHAJWXTNIG-UHFFFAOYSA-N	323.352	1.465	50	20	DDGD	
CCO[C@H](C)C(=O)NNC(=O)Cc1ccc2ccccc2c1	66484905	FJJYERJOHHZRQO-GFCCVEGCSA-N	300.358	1.955	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H]2C[C@H]2c2ccco2)c1	123076211	MLKLRCDOPMCUOP-ZIAGYGMSSA-N	314.341	1.918	50	20	DDGD	
CC[C@H](C)N(C)CCNC(=O)NNc1cccc([N+](=O)[O-])c1	66196924	IQWBQDWZXJFSGJ-NSHDSACASA-N	309.370	1.951	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(C)c(C(=O)N(C)C)c1	186435960	IFZCHLRNUUPGJO-JTQLQIEISA-N	320.393	1.896	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NNC(=O)CC2CCC2)c1	79529866	LGHPXKYHMJERFJ-UHFFFAOYSA-N	310.375	1.041	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(CNC(C)=O)cc2)n1	180700471	MTEKDAXCBCKXOI-UHFFFAOYSA-N	314.345	1.483	50	20	DDGD	
Cc1cncc(NC(=O)C(=O)NNc2cccc([N+](=O)[O-])c2)c1	181486850	ATELDSSAKPPTPN-UHFFFAOYSA-N	315.289	1.380	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)CCc1ccccc1F	77163712	ZJUMTBHDVHFLLG-UHFFFAOYSA-N	323.368	1.211	50	20	DDGD	
N#C/C=C(\c1ccccc1)N1CCC[C@H](CNS(N)(=O)=O)C1	79319684	JIPDVUJDPFURIT-MGMWDDNKSA-N	320.418	1.056	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@H](CCCO)c1ccccc1	77881909	JHQREVTXJUGUPD-CYBMUJFWSA-N	307.394	1.877	50	20	DDGD	
C[C@H]1CCC[C@H](C)C1NCC(=O)NNC(=O)c1ccccc1	182718398	UEGDBAJKCCBFRF-STQMWFEESA-N	303.406	1.862	50	20	DDGD	
CN1[C@@H]2CC[C@@H]1CN(C(=O)/C(C#N)=C\c1ccc(O)cc1)CC2	185775451	XMHBHKMTFCGWGS-LDXCAOIPSA-N	311.385	1.994	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CCCC2(C)C)n1	79132526	WHWPFQXDDDXQCL-GFCCVEGCSA-N	307.398	1.409	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)NC[C@H]1C[C@@H]1C	47099144	MPGXHOUOGDJSIJ-NWDGAFQWSA-N	321.377	1.451	50	20	DDGD	
O=C(NNc1c(Cl)cccc1Cl)[C@H]1CCS(=O)(=O)C1	133329690	UQAPHCDJJHEWAI-ZETCQYMHSA-N	323.201	1.871	50	20	DDGD	
CCc1nn(C)c(CC)c1CC(=O)NNC(=O)c1ccccc1	190309022	XGXQKISFZFNABD-UHFFFAOYSA-N	314.389	1.549	50	20	DDGD	
O=C(COCc1nc2ccccc2s1)NNC(=O)NC1CC1	138641257	IWIXAEJMZZVTRP-UHFFFAOYSA-N	320.374	1.306	50	20	DDGD	
CC(C)C[C@H](C)OCCC(=O)NNC(=O)Cc1cccnc1	87249427	XTOXCAOGTQZCJG-ZDUSSCGKSA-N	307.394	1.613	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc(CC#N)c2)c(O)c1	194266248	MNWMGFDPTRAMEV-UHFFFAOYSA-N	309.325	1.842	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@H]1C[C@H]1c1cccc(F)c1	194518132	UUPMCZVISWUWHA-AAEUAGOBSA-N	302.309	1.654	50	20	DDGD	
Cc1cc(NNC(=O)CCCCN2CCOCC2)nc(C)n1	192693496	BBBHPKSWYMYHEE-UHFFFAOYSA-N	307.398	1.039	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCC2CCOCC2)cc(C#N)n1C	194975796	ATSOESAQIGDIAN-VIZOYTHASA-N	312.373	1.655	50	20	DDGD	
Cc1ccc(NCCCNC(=O)NNc2ncccn2)nc1	193852349	FFOJLLYXVSYUAB-UHFFFAOYSA-N	301.354	1.308	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccc(N(C)C)nc2)cc1	97213438	LEDMIWBIZYVXJL-UHFFFAOYSA-N	312.373	1.785	50	20	DDGD	
CN([C@@H](CO)c1ccccc1)S(=O)(=O)CBr	295593210	WRVRTAPONLSJAB-JTQLQIEISA-N	308.197	1.334	50	20	DDGD	
O=C(NNC(=O)[C@H]1COCCO1)c1cccc2ccccc12	266028512	YUBCYELGBMKKOZ-CQSZACIVSA-N	300.314	1.016	50	20	DDGD	
CC(C)NC(=O)Nc1cccc(C(=O)NNC(=O)C2CCC2)c1	264671578	GWYWSNUKGOJGPY-UHFFFAOYSA-N	318.377	1.778	50	20	DDGD	
CC(C)Oc1ccccc1C(=O)NNC(=O)N1CCOCC1	264319678	QLYLBQWUHOYUSS-UHFFFAOYSA-N	307.350	1.160	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C[C@H]2C=CCC2)cc1C	263671636	IQUVNHRBLCATSO-ZDUSSCGKSA-N	315.373	1.746	50	20	DDGD	
C[C@H]1CC/C(=C\C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1	267838792	HDYUYSXWDXEMBH-XNBKRRRXSA-N	316.357	1.720	50	20	DDGD	
Cc1cnc([C@@H](C)CNS(=O)(=O)CBr)s1	273513927	MPRVSRZGUPUWGM-LURJTMIESA-N	313.242	1.827	50	20	DDGD	
O[C@H]1Cc2ccccc2N(CCI)C1	278863877	LMWKJUSBRCEDLK-JTQLQIEISA-N	303.143	1.845	50	20	DDGD	
Cc1cc(NNC(=O)CCCC(N)=O)ccc1Br	279648915	BEIFDHOEPXWDSJ-UHFFFAOYSA-N	314.183	1.856	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H](C(=O)NNC(=O)c2cccnc2)C1(C)C	275458440	JVNSFHWJZVDDMD-JQWIXIFHSA-N	303.362	1.484	50	20	DDGD	
Cc1nccn1CCCNC(=O)NNc1cc(Cl)ccn1	272136999	AQHQPJBKIHQDNM-UHFFFAOYSA-N	308.773	1.956	50	20	DDGD	
COC(=O)Nc1ccc(S(=O)(=O)N2CC=C(C#N)CC2)cc1	275370382	KPTCROTUXMANON-UHFFFAOYSA-N	321.358	1.709	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2cccc3ncccc23)CCCOC1	272615006	ANUVNHHQTOLESW-KRWDZBQOSA-N	313.357	1.813	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1	377868128	FWMRMFRCUGCGGR-AEGPPILISA-N	317.389	1.329	50	20	DDGD	
Cc1nc2n(n1)CCN(C(=O)/C(C#N)=C\c1ccc(F)cc1)C2	273121182	DZCCTFKSITYOHL-JYRVWZFOSA-N	311.320	1.675	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2cc(C)n(CCC#N)n2)n1	272104192	PHFHZWWMXOGKAE-UHFFFAOYSA-N	314.353	1.661	50	20	DDGD	
CC1=C(C(=O)NNC(=O)CNc2ccc(C)cc2)SCCO1	280806308	QRQDIXUTYBQQDX-UHFFFAOYSA-N	321.402	1.549	50	20	DDGD	
COC1(C(=O)NNc2nc(-c3ccccc3)no2)CCOCC1	284139781	WPVFLHHTQLDMAX-UHFFFAOYSA-N	318.333	1.375	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1CCCN1c1ccccc1	373939220	PKNXBSJYZMXXGI-ZDUSSCGKSA-N	304.419	1.337	50	20	DDGD	
Cc1ncccc1CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C(C)(C)C	286612351	YAWBERNZRLFYOW-ZFWWWQNUSA-N	319.405	1.531	50	20	DDGD	
CC(C)(C)CC(=O)NCC(=O)NNC(=O)Nc1ccccc1	283766191	OCWBUCNRDBTIRH-UHFFFAOYSA-N	306.366	1.392	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1	281484771	PMLXNQFRIHVFGJ-UHFFFAOYSA-N	307.306	1.173	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1nc(C2CCOCC2)cs1	287576885	YWHOVTIVGNBXAI-UHFFFAOYSA-N	324.406	1.990	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1CCCN1Cc1ccc(F)cc1	288531458	OHJHAZJUQDCUBV-OAHLLOKOSA-N	309.385	1.400	50	20	DDGD	
CSSCCNC(=O)c1cc(C)ccc1S(N)(=O)=O	285616637	GYIGNOCSNNCUCR-UHFFFAOYSA-N	320.461	1.383	50	20	DDGD	
CCC(=O)c1cccc(S(=O)(=O)NN(C)C(=O)OC)c1	288930886	MYONRQLAFUOELX-UHFFFAOYSA-N	300.336	1.171	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)COc1cc(C)cc(C)c1)C1CC1	280090532	WNQDWXJUBXITNS-OAHLLOKOSA-N	306.362	1.255	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(CSc2nccn2C)o1	288537962	XMUFBTXHBVQOBZ-UHFFFAOYSA-N	324.406	1.528	50	20	DDGD	
CO[C@](C)(CNC(=O)NNC(=O)c1ccc(C)s1)C1CC1	292015879	XZTPONGYYGEIID-CQSZACIVSA-N	311.407	1.816	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802097190	HIUCBFYHJYJJEX-UHFFFAOYSA-N	318.289	1.432	50	20	DDGD	
CCC[C@H](C(=O)NNC(=O)Cc1cccnc1)c1ccccn1	806793588	MEFWFGDETLNHGF-AWEZNQCLSA-N	312.373	1.750	50	20	DDGD	
CCOc1ccc(/C=C/C(=O)NNC(=O)[C@H]2CCCO2)cc1C	293270577	GFVODPRPXSIGJE-LOWQCSRCSA-N	318.373	1.733	50	20	DDGD	
CNc1nc(C)cc(C(=O)NNc2cccc([N+](=O)[O-])c2)n1	807119659	VOKBVWSWURTNPE-UHFFFAOYSA-N	302.294	1.492	50	20	DDGD	
COc1cccnc1CC(=O)NNc1cc(C#N)cc(Cl)n1	807182726	HANUYWGUYNBYPB-UHFFFAOYSA-N	317.736	1.696	50	20	DDGD	
CC(=O)c1cc(NC(=O)NNC(=O)c2ccccn2)ccc1F	806569185	MMBXLCOMYHZJFA-UHFFFAOYSA-N	316.292	1.890	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(N(C)C)cc2F)O1	294282661	PVTHEFKVCUGOKT-ZANVPECISA-N	309.341	1.220	50	20	DDGD	
COc1cc(/C=C/C(=O)NNC(=O)N(C)C)cc(OC)c1OC	299410904	ZQYUJBMSDOKHIH-VOTSOKGWSA-N	323.349	1.028	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	803397768	ZSMXWXAOPVKLCH-OAHLLOKOSA-N	303.366	1.845	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)N[C@@H]1CC1(C)C	299054274	JLYQCZMAUCTODQ-CYBMUJFWSA-N	305.378	1.757	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)NNc1ccncn1	295329677	ASPPDJYIUXKZJE-ZJUUUORDSA-N	309.370	1.469	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccnc2c1nnn2C	801267723	LLBDBBFTVYRNAJ-UHFFFAOYSA-N	312.337	1.034	50	20	DDGD	
CC(C)(C)N1C[C@H](C(=O)NNc2cccc(Cl)n2)CC1=O	817011497	WQUCDVXSZOZTKR-SECBINFHSA-N	310.785	1.825	50	20	DDGD	
COc1ccc(OC)c([C@H]2C[C@H]2C(=O)NNc2cnnn2C)c1	816770612	FIEVJBIRZJVBMT-ZYHUDNBSSA-N	317.349	1.079	50	20	DDGD	
CCc1cnc(C=NNC(=O)c2ccnc(N(C)C)c2)s1	814844609	NCCKGXRSFSXLRR-UHFFFAOYSA-N	303.391	1.930	50	20	DDGD	
CNC(=O)NCCC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	814216271	FJJDUKLDZXOILO-UHFFFAOYSA-N	320.393	1.064	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(Cn3cccn3)on2)nc1	816332294	PSENRZONGFLDLV-UHFFFAOYSA-N	314.305	1.080	50	20	DDGD	
O=C(NNc1ncncc1F)c1cn(Cc2ccccc2)nn1	817082806	MHPAVZPBUVNCPI-UHFFFAOYSA-N	313.296	1.012	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1ccc2c(c1)OC(F)(F)O2	819012004	FCYBPTQFBTVCHM-UITAMQMPSA-N	316.285	1.764	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=C2COCCOC2)cc1	814747786	VDZFUKCVRJRTDK-LBPRGKRZSA-N	322.361	1.372	50	20	DDGD	
N#C/C(=C\c1ccc(OCCCCl)cc1)S(N)(=O)=O	811691638	RDKZEICUNSRLLI-XYOKQWHBSA-N	300.767	1.847	50	20	DDGD	
CCNC(=O)NN=C(C)c1ccc(N2C(=O)CCC2=O)cc1	814219147	JZXUCSDANBHONC-UHFFFAOYSA-N	302.334	1.383	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1CCCc2c1ccc(=O)n2C	814757470	CKLCTQQBPJUTIE-UHFFFAOYSA-N	318.421	1.274	50	20	DDGD	
C[C@H](Oc1ccc(C#N)cc1)C(=O)NNc1ncncc1F	817078161	YUNLFLXWRUHUML-VIFPVBQESA-N	301.281	1.398	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@H]1C[C@H]2CC[C@H]1NC2	817933654	MXWRZZDTMBSAHF-KGYLQXTDSA-N	313.361	1.568	50	20	DDGD	
CC(C)N(C)C[C@@H](C)NC(=O)NNC(=O)c1cccc(C#N)c1	811873774	AJHDHJJHJKAGBG-GFCCVEGCSA-N	317.393	1.231	50	20	DDGD	
C=CCN(CCc1ccccc1)CC(=O)NNC(=O)C(C)C	827516519	XPNIJASAGIQIFX-UHFFFAOYSA-N	303.406	1.521	50	20	DDGD	
Cc1cc(C(=O)NN(C)[C@@H](C)CO)cc(C)c1OC(F)F	823959453	IQIIJWGZXUODQT-JTQLQIEISA-N	302.321	1.862	50	20	DDGD	
CO[C@@H](CS(=O)(=O)NNC(=O)C1CCC1)c1ccccc1	829848020	PVNSNEFYZYQIOB-ZDUSSCGKSA-N	312.391	1.125	50	20	DDGD	
CN(C)CC(C)(C)CNC(=S)NNC(=O)NC1CCCC1	727086137	XBGWFXAQMOVFGO-UHFFFAOYSA-N	315.487	1.195	50	20	DDGD	
C[C@H]1OC(=O)N[C@H]1C(=O)NNc1ccc(Cl)cc1Cl	497083155	PVWFNYCXMTWDDR-MLUIRONXSA-N	304.133	1.933	50	20	DDGD	
CC(=NNC(=O)c1ccc[nH]1)c1cccc(OCC(=O)O)c1	725854569	TXSZUOHNZWRGME-UHFFFAOYSA-N	301.302	1.632	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@]1(C(=O)OC(C)(C)C)CC1(C)C	820710707	SSUSJMJTQGZBMX-MRXNPFEDSA-N	312.410	1.938	50	20	DDGD	
COc1ccc(-c2ocnc2C(=O)NN(C)[C@@H](C)CO)cc1	823922199	JAJLQUIVGIIIPR-JTQLQIEISA-N	305.334	1.308	50	20	DDGD	
COCCN(C)NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1	496792309	QEGCQSLSBATCRV-UHFFFAOYSA-N	315.414	1.243	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1c(C(F)F)nc2n1CCCC2	823907795	PGXJTAOABBLJID-MRVPVSSYSA-N	302.325	1.114	50	20	DDGD	
Cc1nc(C)c(CCNC(=O)/C(C#N)=C\c2cnn(C)c2)s1	491177321	VULFLRVEZIATOS-MLPAPPSSSA-N	315.402	1.759	50	20	DDGD	
Cc1nc(C)c(CCNC(=O)/C(C#N)=C/c2cnn(C)c2)s1	491177320	VULFLRVEZIATOS-AWNIVKPZSA-N	315.402	1.759	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2C[C@]3(CCCO3)[C@H]2C2CC2)cn1	491009432	KDUZBSKNEMCIDT-QHHVXYOTSA-N	312.373	1.497	50	20	DDGD	
CCCCC[C@@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)OC	491163357	WHRHGOHWCGBINN-YLHGKKIISA-N	318.377	1.565	50	20	DDGD	
Cn1c(=NNC(=O)c2cc3n(n2)CCC3)sc2ccccc21	822363468	ZXEMNTRXXPLVMM-UHFFFAOYSA-N	313.386	1.628	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@@H](O)C2CCCCC2)cn1	491008424	HZFXNQQDPXZMSP-KEQVLUGWSA-N	302.378	1.384	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc2c(c1)nc(O)n2CC1CC1	822564018	USYMZXHJJZEGDU-JTQLQIEISA-N	318.377	1.109	50	20	DDGD	
C[C@H](CNC(=O)/C(C#N)=C/c1cnn(C)c1)CN1CCCC1	491049070	MFXVMHCCDRRSKN-BKNIFWKGSA-N	301.394	1.175	50	20	DDGD	
CCCN(CCc1cccs1)C(=O)c1cccc(B(O)O)c1	584973724	BQRJOGIBFNDXQZ-UHFFFAOYSA-N	317.219	1.523	50	20	DDGD	
O=C(NCC1CC1)NNS(=O)(=O)c1sccc1Cl	829763751	RKASSPRPORKVAR-UHFFFAOYSA-N	309.800	1.304	50	20	DDGD	
CC(=NNC(=O)CC(C)(C)C)c1cccc(-n2cnnn2)c1	728431095	LFKHUEQSASJYBE-UHFFFAOYSA-N	300.366	1.939	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccc(-c3nn[nH]n3)cc2)cc1	826386155	RGFNNKUXDOSQRJ-UHFFFAOYSA-N	305.301	1.495	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(Cc1ccccc1)CC(F)F	827974042	RVZPHCLRBNDFIX-UHFFFAOYSA-N	313.348	1.557	50	20	DDGD	
C=CCOCC(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	729533449	KULFSYGYMBEJEZ-UHFFFAOYSA-N	320.317	1.329	50	20	DDGD	
CCC[C@H]1[C@@H](C)CCCN1C(=O)c1cc(B(O)O)ccc1F	584953958	ARAJVYZGLUVVPL-NHYWBVRUSA-N	307.174	1.546	50	20	DDGD	
COc1cccc(C(=O)CCCC(=O)NN(C)[C@@H](C)CO)c1	823924039	XSEMMKSRCMLMPJ-LBPRGKRZSA-N	308.378	1.392	50	20	DDGD	
N#Cc1ccsc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	826387872	WEHBJHNRKXKQGX-UHFFFAOYSA-N	311.330	1.557	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)/C=C/CN(C)CC(F)(F)F)n1	492880898	NZZHTVKHLLBVTM-SNAWJCMRSA-N	317.315	1.587	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccn(CCc2ccccc2)n1	823917486	IRBCRAPOOCHVSP-ZDUSSCGKSA-N	302.378	1.083	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H](NC(C)=O)C(C)(C)C)c1	826897324	LCKPHBBBYGHNOE-CYBMUJFWSA-N	311.357	1.828	50	20	DDGD	
C[C@]1(C(=O)N2CCO[C@H](C(F)(F)F)C2)C[C@H]1Br	906766606	BBSYGGFDVFEXEZ-FJXKBIBVSA-N	316.117	1.950	50	20	DDGD	
Cc1ncc(C(=O)NNc2nc(-c3ccccn3)nc(C)c2C)[nH]1	734257169	ILCBJBHKYWUWSQ-UHFFFAOYSA-N	323.360	1.944	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccc(CCOC(C)=O)c1	495361608	FNOSBCWBZITHFQ-UHFFFAOYSA-N	309.322	1.575	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)ccnc1Cl	831823365	XYDPDLBDZYMLSH-RKDXNWHRSA-N	312.757	1.621	50	20	DDGD	
O=C(NCCC[C@H]1CCOC1)NNc1nc2ccccn2n1	838715220	RIFWTBQPJRPKDM-NSHDSACASA-N	304.354	1.172	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H](F)C(F)(F)F)ccc1F	837037947	XXLLAHUJEGOUJR-MRVPVSSYSA-N	312.194	1.956	50	20	DDGD	
CCCN(C)CC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	730103594	DUBNXSGHBTXSHG-NSHDSACASA-N	311.357	1.082	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)OC)c1	839279607	QJCGDSUTFMBRLE-MFKMUULPSA-N	321.285	1.878	50	20	DDGD	
O=C(C[C@H]1CC(=O)N1)NNc1cc(C(F)(F)F)ccc1F	831119228	JNBSFGBDDRECNI-SSDOTTSWSA-N	305.231	1.566	50	20	DDGD	
CN(CCNC(=O)NNC(=O)CC(C)(C)C)CC(F)(F)F	732677754	XKCXSCQFLKFYDP-UHFFFAOYSA-N	312.336	1.247	50	20	DDGD	
CC(C)CO[C@H](C)C(=O)NNc1nc2ccccc2c(=O)n1C	733261395	PKNNMGFDMCYECT-LLVKDONJSA-N	318.377	1.438	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)[C@@H](C)CN1CCC(C)CC1	834932990	MNRRUMPVBOODHL-ZDUSSCGKSA-N	320.441	1.425	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1cccc(OC(C)C)c1	836730529	QKEOJMBXJZAFCG-UHFFFAOYSA-N	317.349	1.972	50	20	DDGD	
COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NS(=O)(=O)CCl	831425691	LJEHHHFLOQACNG-JQWIXIFHSA-N	319.810	1.523	50	20	DDGD	
O=C(NCCCn1cncn1)NNc1cc(F)c(F)cc1F	734656564	KHNREMUBTWYHLO-UHFFFAOYSA-N	314.271	1.412	50	20	DDGD	
CCOC(=O)COc1ccc(OS(=O)(=O)CCl)cc1	830714139	HRWAUTWPYILOSS-UHFFFAOYSA-N	308.739	1.533	50	20	DDGD	
CC(C)(NS(=O)(=O)CCl)c1cn(-c2ccccc2)nn1	830838256	PMLGVVLWDHRSQH-UHFFFAOYSA-N	314.798	1.618	50	20	DDGD	
CN1CCC[C@H](CCNC(=O)NNc2cccc([N+](=O)[O-])c2)C1	838768373	NBKNQZABZPVSSJ-GFCCVEGCSA-N	321.381	1.953	50	20	DDGD	
Cc1cc(Cl)ncc1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	831566094	JEQUASUOCNINJM-IUCAKERBSA-N	312.757	1.621	50	20	DDGD	
CCCOC1(CNC(=O)c2cccc(B(O)O)c2)CCCCC1	584961795	XHQUFDUCTKQZLU-UHFFFAOYSA-N	319.210	1.226	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1cccn1C)C(=O)c1ccccc1	732751231	MIMOFNCLHKCAJQ-GFCCVEGCSA-N	313.357	1.695	50	20	DDGD	
C[C@@H]1CN(C)c2ccccc2N(C(=O)c2cccc(B(O)O)c2)C1	584953200	SCBDEGQTIJFXFH-CYBMUJFWSA-N	324.189	1.099	50	20	DDGD	
CN(CCCCNC(=O)NNC(=O)c1ccccc1)C1CC1	836204930	ATMUVMNGLRLBBI-UHFFFAOYSA-N	304.394	1.505	50	20	DDGD	
C[C@@]1(C(=O)NC[C@H](O)Cc2ccccc2)C[C@@H]1Br	908187816	JSBXEZNZMOSPMV-MBNYWOFBSA-N	312.207	1.880	50	20	DDGD	
O=C(CCCn1ccccc1=O)NNc1nccnc1Cl	735116413	KWILTLPFPOZZRG-UHFFFAOYSA-N	307.741	1.215	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@H]1CC[C@@H](c2ccccc2)C1	584912271	QRRIOLDCAIWKDQ-CABCVRRESA-N	309.174	1.889	50	20	DDGD	
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NN(C)CCOC	837625040	HAGCEFSHAZBKNC-CYBMUJFWSA-N	309.366	1.773	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H]1CCCCN1Cc1ccccc1	910164207	VVLFQHXBOGOEEO-HOCLYGCPSA-N	305.422	1.385	50	20	DDGD	
C[C@H](C#N)Oc1ccc(C=NNC(=O)[C@H]2CCCCO2)cc1	834990610	YUFTYXGURPEFPR-IUODEOHRSA-N	301.346	1.997	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCCO1)c1ccc(C(=O)O)c(F)c1	834986578	RETDBZUIHORKTG-ZDUSSCGKSA-N	308.309	1.933	50	20	DDGD	
Cn1cc(CCC(=O)NNC(=O)c2c[nH]c3ccccc23)cn1	917522794	REXVPFMPQUGDST-UHFFFAOYSA-N	311.345	1.295	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNc2cc(O)nc3ncccc23)O1	913992151	QDLKKHVBYGENDA-JOYOIKCWSA-N	302.334	1.736	50	20	DDGD	
CC(C)CNC(=S)NNC(=O)c1nnc(O)c2ccccc12	916121738	RDRDLHCEZZDFMJ-UHFFFAOYSA-N	319.390	1.100	50	20	DDGD	
CCCN(CC(=O)NNC(=O)c1ccc(C#N)cc1)C1CC1	839481450	UTHBCYWDBYNFDU-UHFFFAOYSA-N	300.362	1.194	50	20	DDGD	
O=C(CNC(=O)c1ccc(O)cc1)NNc1ccccc1Cl	749283787	HTAXHDVWMKDVQF-UHFFFAOYSA-N	319.748	1.919	50	20	DDGD	
Cc1ccc2ncccc2c1S(=O)(=O)NNC(=O)CC(C)C	748640362	MONRGHZXROTDEV-UHFFFAOYSA-N	321.402	1.899	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCCOC1CCC1	743695304	ZBKMQJMRMZLSEC-UHFFFAOYSA-N	321.377	1.137	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(F)c(F)cc1F)N1C(=O)CCC1=O	748797502	SFOITFHXBBYHKG-LURJTMIESA-N	315.251	1.085	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2ccc(-n3ccnc3)nn2)CS1	841590672	PHTVVBHSLSGQNV-ZJUUUORDSA-N	319.394	1.182	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccsc1Cl	847117506	WAPCKAJNRQKJQH-UHFFFAOYSA-N	301.677	1.908	50	20	DDGD	
CC(=O)NNC(=O)Cn1c(-c2ccc(F)cc2)c(C)sc1=O	918688658	NABROOCVHRHGOG-UHFFFAOYSA-N	323.349	1.192	50	20	DDGD	
N#C[C@@H]1CNC[C@H]1NC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	846677304	LEURYZKLNHAVBP-ZZZDWPBISA-N	312.211	1.168	50	20	DDGD	
COC1([C@H](C)NC(=O)NNc2nc3ccccn3n2)CCC1	840457829	SGTQNUCMJVZMLQ-JTQLQIEISA-N	304.354	1.313	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CSCCC(C)(C)O	848442285	AULMKFDEIYRLJX-UHFFFAOYSA-N	324.446	1.579	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Cc1ccc2ccccc2c1)[C@H](C)O	842227574	TZRVTUWYLRDGBP-BLLLJJGKSA-N	314.385	1.937	50	20	DDGD	
O=C1CC[C@]2(C(=O)NNc3ccc([N+](=O)[O-])cc3)SCCN12	747985793	IKBWNMDPFUJQHN-CYBMUJFWSA-N	322.346	1.103	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1	744812814	SETDGKVLJHZWNB-UHFFFAOYSA-N	312.713	1.223	50	20	DDGD	
COc1ncccc1NC(=O)NNC(=O)Cc1ccc(F)cc1	918543358	ZVFCYCKYKGTAOS-UHFFFAOYSA-N	318.308	1.625	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCN(Cc2ccccc2)C1	748256839	DNXWULJSMMBBAT-CQSZACIVSA-N	319.405	1.416	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)N[C@H](C)CCCN)cc1	841999822	OWVVXXNFDXSWJN-GFCCVEGCSA-N	324.450	1.545	50	20	DDGD	
COc1ccc(C(=O)CCC(=O)NN(C)C[C@@H](C)O)cc1F	910165633	JBXJRAHJPQTRIC-SNVBAGLBSA-N	312.341	1.141	50	20	DDGD	
Cn1nc(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])ccc1=O	917214263	NFMYYVYJJCNRSD-UHFFFAOYSA-N	323.696	1.099	50	20	DDGD	
CC1(C)C[C@H]1CNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	745816515	ICEQFMGHTVUEMM-QMMMGPOBSA-N	322.321	1.291	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@H](C)c1cnn(C)c1)c1ccccc1	749991521	XTGCZHSTXGXDAA-IUODEOHRSA-N	314.389	1.865	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1	910154876	IDMJEBPDSRSKRP-LLVKDONJSA-N	308.378	1.599	50	20	DDGD	
CC(C)CCCCCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1	747874904	URZRYBSNFPDVMZ-LBPRGKRZSA-N	318.439	1.175	50	20	DDGD	
CC(=O)N1CCC(NC(=O)NNc2cc(F)ccc2F)CC1	913929929	IJJRCCDCIYQAAF-UHFFFAOYSA-N	312.320	1.602	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1cccc2c1CCNC2=O	841782196	KCIHNJLEEPEOGD-UHFFFAOYSA-N	318.377	1.561	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1ccc(-n2cncn2)cc1	745590665	DROYQDBLRXEZPQ-UHFFFAOYSA-N	314.349	1.033	50	20	DDGD	
C[C@H](Cc1ccc(C#N)cc1)C(=O)NNc1ccnc(N(C)C)n1	848370897	CIBIQYCEJHYQGV-GFCCVEGCSA-N	324.388	1.736	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=C[C@H](OC)[C@H]1CCOC1	841606148	AILKUPFASDAXMP-HOCLYGCPSA-N	320.389	1.781	50	20	DDGD	
O=C1CC[C@@]2(C(=O)NNc3cccc([N+](=O)[O-])c3)SCCN12	748004892	VBLDBSSZLUHSIQ-ZDUSSCGKSA-N	322.346	1.103	50	20	DDGD	
CC[C@](C)(O)C(=O)NNC(=O)c1ccc(Cl)cc1OC	929585446	IOZAOKIOWOYZTE-ZDUSSCGKSA-N	300.742	1.271	50	20	DDGD	
O=C(NNC(=S)NC[C@@H]1CCCCO1)c1ccccc1O	758173827	XEFDWYWEVJQCBB-JTQLQIEISA-N	309.391	1.070	50	20	DDGD	
CN1CC[C@H]1CNC(=O)NNC(=O)c1cccc2ccccc12	925413014	ZWBVTAKZHLEWRA-ZDUSSCGKSA-N	312.373	1.488	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNC(=O)OCC(F)(F)F)C1(C)C	856023081	XMXABQAUEZQCJZ-BDAKNGLRSA-N	324.299	1.948	50	20	DDGD	
COC(=O)CCC(C)=NNC(=O)c1cc(Br)c[nH]1	756879199	HECARZQCFKAQQD-UHFFFAOYSA-N	316.155	1.836	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	758365368	BHRAPRCKXRECPL-DKHPWKACSA-N	322.405	1.549	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN[C@@H]2CCCC[C@H]2C)cc1	921206707	RNOKBFOJBIYLFN-UKRRQHHQSA-N	303.406	1.924	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NC[C@H](O)c1ccncc1	752641767	UGZXIQUCWMHOJL-MBSJSRAVSA-N	311.316	1.977	50	20	DDGD	
Cc1c[nH]ccc1=NC(=O)NNC(=O)Cc1c[nH]c2ccccc12	757808381	WCZPEKHOAVODRD-UHFFFAOYSA-N	323.356	1.689	50	20	DDGD	
CC(C)c1nc(CCNC(=O)NNC(=O)c2cn[nH]c2)cs1	858178578	ZPKVVLRLLLGAOI-UHFFFAOYSA-N	322.394	1.176	50	20	DDGD	
O=C(NN=Cc1sc(Cl)nc1Cl)C(=O)NC1CC1	755612986	ZOJGVCYRFBPBEG-UHFFFAOYSA-N	307.162	1.179	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@H]1C[C@@]1(C)C(C)C	854284123	XPBQLMXMJWMICK-RISCZKNCSA-N	301.456	1.543	50	20	DDGD	
COC[C@H](OC)C(=O)NNc1ccc(OC)cc1C(F)(F)F	857266704	ALLSRIUSWDNGTP-NSHDSACASA-N	322.283	1.819	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCCOc1cccc(C(C)=O)c1	854925884	OVKRHGQYMYEPSO-UHFFFAOYSA-N	323.418	1.516	50	20	DDGD	
Cn1cc(-c2ncccc2C(=O)NCCCSC#N)cn1	854360776	ZZFCFVNPMKMLBY-UHFFFAOYSA-N	301.375	1.816	50	20	DDGD	
CC1(C)COc2c(C(=O)NNC(=O)c3cc[nH]n3)cccc21	855357064	ZBXJRDYYUCAWIK-UHFFFAOYSA-N	300.318	1.155	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)N2C[C@H]3CC[C@H]2C3)C[C@@H]1Br	856754683	LVZFSFFVYFUUCO-NAKRPEOUSA-N	323.256	1.479	50	20	DDGD	
N#CSCCCNC(=O)CCc1nc2ccccc2oc1=O	854362819	BYLHWVDCSSSJDT-UHFFFAOYSA-N	317.370	1.841	50	20	DDGD	
CN(CC(=O)NC[C@]1(C)C[C@@H]1Br)[C@H]1CCSC1	857393923	JRLPFHFADZVNMN-NHCYSSNCSA-N	321.284	1.713	50	20	DDGD	
C[C@H](C#N)N(CC(=O)NNC(=O)c1cccc(Cl)c1)C1CC1	852480917	XBFINLFIDQCYDG-SNVBAGLBSA-N	320.780	1.477	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1ccc(C2CC2)nn1	757699905	LMQQKYQMEBDICX-UHFFFAOYSA-N	312.333	1.144	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H](CC(C)C)C(N)=O)ccc1C	857263766	ARAXZNRNFVBWQH-CYBMUJFWSA-N	321.377	1.372	50	20	DDGD	
C#CC1CCC(=NNC(=O)c2ccc(-n3cnnn3)cc2)CC1	853277831	UKAFCKZWQJUUCA-UHFFFAOYSA-N	308.345	1.572	50	20	DDGD	
C[C@]1(CNC(=O)N2CCO[C@H](CF)C2)C[C@H]1Br	856893810	QDKKWCJGKJYCDA-FXPVBKGRSA-N	309.179	1.540	50	20	DDGD	
NC(=O)c1cc(CNC(=O)NNc2ccccc2Cl)on1	752684246	GHNORYBURNJGRL-UHFFFAOYSA-N	309.713	1.253	50	20	DDGD	
C[C@@H]1CCC[C@@H](CNC(=O)NNC(=O)c2cccc(F)n2)C1	852709122	DFCCWOCQYHRELS-GHMZBOCLSA-N	308.357	1.991	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCN(C(C)(C)C)C2)o1	852467338	GETKCJWIMOSBEN-LLVKDONJSA-N	308.382	1.405	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc(C)ccc1F	854281579	XLVYTTWKASEYAL-UHFFFAOYSA-N	313.398	1.622	50	20	DDGD	
Cn1c(=NNC(=O)CC[C@@H]2CCOC2)sc2ccccc21	751210205	PRMVSEGBWCQWPQ-LLVKDONJSA-N	305.403	1.988	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccc3nn[nH]c3c2)C[C@@H]1Br	857405312	QFWLIAAABTWALV-JQWIXIFHSA-N	309.167	1.861	50	20	DDGD	
C[C@@]1(CNc2cncc(-n3cncn3)n2)C[C@H]1Br	856787653	ZGKVMUPMIMLODP-KCJUWKMLSA-N	309.171	1.643	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(OC)cs2)nc1	759737934	DFHMJHZBVLXECY-UHFFFAOYSA-N	307.331	1.695	50	20	DDGD	
C[C@@H]1CCN(C(=O)NNC(=O)c2cccc(C#N)c2)CCS1	755251226	VKRCVRMEKYPZAM-LLVKDONJSA-N	318.402	1.740	50	20	DDGD	
O=C(NC[C@H](O)CCc1ccccc1)NNC(=O)C1CCCC1	753340820	XAEZBAIVSQHNBR-OAHLLOKOSA-N	319.405	1.501	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)C1SCCCS1)C1CC1	855095172	JIWOUGOCMMIMTM-SSDOTTSWSA-N	305.494	1.476	50	20	DDGD	
O=C(NN=CCCc1ccc2c(c1)OCCO2)c1cc[nH]n1	853392982	YAEASFUHLPXOLP-UHFFFAOYSA-N	300.318	1.529	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](O)c2ccccc2)nc1	759730465	ICAOXGDXBLVGOC-CYBMUJFWSA-N	301.302	1.045	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc2nc(O)n(C)c2c1)C(F)(F)F	862315016	ORXQPYDCISWEQI-ZCFIWIBFSA-N	302.256	1.464	50	20	DDGD	
C[C@H](C(=O)NNCC(F)(F)C(F)(F)F)c1cnn(C)c1	863096920	ZJVNUTNUOCYODR-LURJTMIESA-N	300.231	1.342	50	20	DDGD	
CCC(=NNC(=O)CS(C)(=O)=O)c1cc(F)ccc1F	863189331	IXPCMQTUGBMJKE-UHFFFAOYSA-N	304.318	1.240	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNCC(F)(F)C(F)(F)F)C(C)C	863095834	NVABKBYXQWZSDI-LURJTMIESA-N	321.246	1.185	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)[C@@H]2CCC(=O)N2)C12CCCCC2	863148981	OANWBZLRETXBEM-AAEUAGOBSA-N	307.394	1.497	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](C)Sc1ccccn1	764460294	MQQQQNLHBYMWPQ-VIFPVBQESA-N	305.363	1.504	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)Cc2cnc[nH]2)c(O)c1	863859454	CJZXTUVVWVHCST-SNVBAGLBSA-N	302.334	1.064	50	20	DDGD	
COc1ccc(C(CC(C)C)=NNC(=O)[C@@H]2CCC(=O)N2)cc1	863150953	FGSLTMUBTPMBGS-AWEZNQCLSA-N	317.389	1.840	50	20	DDGD	
CC[C@@](C)(NC(=O)NNC(=O)c1ccncc1)C(F)(F)F	933521699	JIXSTSBRYFPOSQ-LLVKDONJSA-N	304.272	1.757	50	20	DDGD	
CO[C@H]1COCC[C@H]1CNS(=O)(=O)CC(C)(C)CCl	867344030	CNMGGEJAXRIYJI-QWRGUYRKSA-N	313.847	1.222	50	20	DDGD	
O=C(NN=CC[C@@H]1CCOC1)c1cc(Br)c[nH]1	765561798	CCOHNTPROQCQIY-MRVPVSSYSA-N	300.156	1.919	50	20	DDGD	
COc1cccc(C(=O)NN[C@@H](C)C(F)(F)F)c1[N+](=O)[O-]	862318842	XZFMKVGSDJXSAD-LURJTMIESA-N	307.228	1.789	50	20	DDGD	
CCCc1ccccc1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1	860386198	SSNHGIWPZNEFFF-LBPRGKRZSA-N	304.350	1.070	50	20	DDGD	
CCC[C@@H](O)CC(=O)NNC(=O)CSc1ccccc1O	765247856	CNEGJNVOOYAJTR-SNVBAGLBSA-N	312.391	1.183	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CSc1ccccc1O)C(F)(F)F	764046559	NZRYYNCLPDZGNO-SSDOTTSWSA-N	322.308	1.830	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=CC[C@@H]2CCOC2)C[C@@H](C)O1	765570065	QARFSIPRUZXOTF-BYNSBNAKSA-N	311.426	1.260	50	20	DDGD	
O=C(CO)NN=Cc1ccc(OC(F)F)c(Br)c1	776779316	GQNTXXMNXGNVAI-UHFFFAOYSA-N	323.093	1.493	50	20	DDGD	
CCC(CC)[C@H](C)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	761516672	CODQLCGLIAHSSE-WCQYABFASA-N	304.456	1.551	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)Nc1cnn(C2CCC2)c1	934303665	WDPQAKYFOXPYKS-UHFFFAOYSA-N	307.354	1.187	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)CCCCO)cc1OC	864511129	OXXKYAAVJYJTRR-UHFFFAOYSA-N	324.377	1.408	50	20	DDGD	
CCc1nc([C@@H](C)NS(=O)(=O)CC(C)(C)CCl)n[nH]1	867028161	NAJNIZOVUAXOLX-MRVPVSSYSA-N	308.835	1.613	50	20	DDGD	
CCc1nn(C)c(CC)c1CC(=O)NN[C@@H](C)C(F)(F)F	862316641	DXKBSLXXPLNQCB-QMMMGPOBSA-N	306.332	1.659	50	20	DDGD	
C[C@@H](CCCc1ccccc1)C(=O)NNC(=O)c1cn[nH]c1	862470184	BDLSATLWYOKYBN-LBPRGKRZSA-N	300.362	1.830	50	20	DDGD	
CSc1ccc(C)c(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1	860882414	BWFHICCZBSQGEH-JTQLQIEISA-N	322.390	1.148	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2	861576841	TWXJQNZSVXFSDW-SLEUVZQESA-N	312.410	1.749	50	20	DDGD	
COc1ccc(COCC(=O)NNc2ncc(F)cn2)cc1	760906096	PIDRBEWIJBPKEL-UHFFFAOYSA-N	306.297	1.284	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2ccc(O)c(F)c2)c1	767296114	MRADZZSGNILERO-UHFFFAOYSA-N	317.320	1.672	50	20	DDGD	
CCNC(=O)CCC(=O)NNc1ncc(Cl)cc1Cl	775275496	KALCGJGTETWKCN-UHFFFAOYSA-N	305.165	1.748	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc2c(c1)CCCN2C(C)=O	878513015	GJNWAJBTDKBOKH-UHFFFAOYSA-N	320.393	1.600	50	20	DDGD	
Cn1cc(C#N)c(NC(=O)NNc2ccc(F)c(F)c2F)n1	770057480	XGSNMCSFXHQMGX-UHFFFAOYSA-N	310.239	1.858	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)c1nc2ccccc2s1	874914525	YWGSVUUKJBSACD-UHFFFAOYSA-N	307.375	1.872	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc(F)c1Cl	772164021	BIUBZEWXEVUNTB-SSDOTTSWSA-N	316.716	1.582	50	20	DDGD	
COc1cccc(NNC(=O)NCC2CCN(C3CC3)CC2)n1	770633534	ZSFKOGNTTAZTQO-UHFFFAOYSA-N	319.409	1.591	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)COc1cccnc1	773624677	BRRKZRWTRGYFCR-UHFFFAOYSA-N	319.292	1.529	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1cn2c(n1)CCCC2	1119971212	RYTMKDKCFXSIDI-UHFFFAOYSA-N	316.390	1.246	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)C[C@@](C)(O)C1CC1	873768653	FHSRVBBQGPFBAP-OAHLLOKOSA-N	323.418	1.564	50	20	DDGD	
COCCCNC(=O)NN=C1CCCc2ccc([N+](=O)[O-])cc21	773054455	MADLPWCZRXLLKR-UHFFFAOYSA-N	320.349	1.971	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)c3ccc(F)cc3F)nc21	770972636	UJVGWQVMJNIICG-UHFFFAOYSA-N	320.259	1.104	50	20	DDGD	
CC[C@H](C)[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)C(F)(F)F	772525780	PIXNZKCADHQZOB-IONNQARKSA-N	321.303	1.341	50	20	DDGD	
C[C@H](C(=O)NNc1nc(-c2ccc(Cl)cc2)no1)N(C)C	874465210	GDODSTOXYTZIRM-MRVPVSSYSA-N	309.757	1.783	50	20	DDGD	
CC(CCn1cccn1)=NNC(=O)COc1ccc(F)cc1	776763675	JJNGJZFUVXBNJE-UHFFFAOYSA-N	304.325	1.983	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCCO2)c1cn(C)cn1	872340634	IVQJLEYZFHQOTR-UHFFFAOYSA-N	300.318	1.345	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@H](C)OCCC(C)C	770238978	FDMDPTDRDFMHTO-JTQLQIEISA-N	307.485	1.296	50	20	DDGD	
CN(C)CCn1ccc(C(=O)NNc2cc(F)ccc2F)n1	885141929	QETLOKLMEYJSNX-UHFFFAOYSA-N	309.320	1.480	50	20	DDGD	
C[C@@H](CCc1ccccc1)NC(=O)NNC(=O)C1CCOCC1	883038303	DTGVDYUIWDKOGO-ZDUSSCGKSA-N	319.405	1.765	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cccc2nccn12	771100195	INGBGKWFUANLIF-UHFFFAOYSA-N	301.350	1.089	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)Cc1ccccc1CC#N	776968150	LOCSPPJJYFUQIL-UHFFFAOYSA-N	304.419	1.589	50	20	DDGD	
CN(NC(=O)c1cc(F)c(F)cc1Br)C(N)=O	778412280	QMFMNLAKZILDLZ-UHFFFAOYSA-N	308.082	1.383	50	20	DDGD	
CCS(=O)(=O)N[C@@H](C)C(=O)NNc1cc(Cl)ccc1C	885127034	KRAUARLRZAQFOG-VIFPVBQESA-N	319.814	1.419	50	20	DDGD	
C[C@H]1CCCC[C@H]1C=NNC(=O)Cc1cc(O)nc(S)n1	783823036	YXUHBYZQPRKKBC-UWVGGRQHSA-N	308.407	1.942	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCC(=O)NC(=O)NC1CCCCC1	786670971	SVQOZQWEUIIAPT-WQLSENKSSA-N	319.361	1.548	50	20	DDGD	
O=C(NC[C@@H]1C[C@H]2C=C[C@H]1CC2)NNC(=O)C1CCOCC1	883695751	MSSIVONSEIEKQE-OBJOEFQTSA-N	307.394	1.346	50	20	DDGD	
CC(=NNC(=O)C(=O)NCc1ccc(Cl)cc1)[C@H]1CCCO1	783863345	KOOHIQZIIDKJAZ-CYBMUJFWSA-N	323.780	1.627	50	20	DDGD	
COCC[C@@H](Cc1ccco1)NC(=O)NNc1ccc(C)nn1	784470769	WDLYQSYLOUAHNU-LBPRGKRZSA-N	319.365	1.652	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CN2CCC[C@H](CF)C2)cc1	880236369	ZKFVETJKLUBMRI-CYBMUJFWSA-N	318.352	1.001	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cn(-c2ccccc2)nn1	781819361	ALAJUWXOBCBOIM-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc(CN2CCCC2=O)cc1	782554396	AWUBQPSDJXXGLL-UHFFFAOYSA-N	318.377	1.618	50	20	DDGD	
CC(C)(C#N)CNC(=O)NNC(=O)Cc1c[nH]c2ccccc12	781955312	NLBJZGNBEJSABK-UHFFFAOYSA-N	313.361	1.591	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CO[C@@H](C)C2)cc1C	784143806	HPTZBTRNULVYFU-QWHCGFSZSA-N	306.362	1.255	50	20	DDGD	
N#CC1(C(=O)NNc2ccccc2S(N)(=O)=O)CCCCC1	788223686	MDEKFJVULJEUON-UHFFFAOYSA-N	322.390	1.251	50	20	DDGD	
COCCCNC(=O)NNC(=O)C[C@H]1CCO[C@H](C(C)C)C1	781681959	JEDYJRKQUPGKQK-STQMWFEESA-N	315.414	1.195	50	20	DDGD	
CC1(C)Cc2cccc(C=NNC(=O)C[n+]3ccccc3)c2O1	794458624	ZLWYCGLNSYRKKJ-UHFFFAOYSA-O	310.377	1.838	50	20	DDGD	
CCc1nc2ccc(C(=O)NNC(=O)OC)cc2nc1CC	792605815	UKIYPPYWJYYGSH-UHFFFAOYSA-N	302.334	1.755	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1ccnc(C)c1	790495361	PNXVPBZFYZXIJO-UHFFFAOYSA-N	314.345	1.272	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cc2c(C(F)F)nn(C)c2s1	792016658	RRQADNJKZAQJTB-UHFFFAOYSA-N	316.333	1.989	50	20	DDGD	
C[C@H](CNC(=O)NNc1ncccn1)NC(=O)OC(C)(C)C	792256641	JBCZPNJROFBGEV-SECBINFHSA-N	310.358	1.016	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2c(C)cnn2C)cc1OC	794860900	RIHCDSITPNOZET-UHFFFAOYSA-N	302.334	1.510	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCC(=O)c1cnccn1	791994688	LLNMMRASCSHOTK-KPKJPENVSA-N	309.281	1.515	50	20	DDGD	
Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNc1nc2ccccn2n1	791260243	LLAJLAMRXVMEFO-SECBINFHSA-N	313.365	1.326	50	20	DDGD	
CC(C)n1nccc1C=NNC(=O)COc1ccccc1C#N	794475791	CFEUKUKARVQLCD-UHFFFAOYSA-N	311.345	1.865	50	20	DDGD	
CC(C)n1cnc(C(=O)NNC(=O)c2ccc(Cl)nc2)c1	798895095	UDQJJAIYRLEQAT-UHFFFAOYSA-N	307.741	1.587	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H](OC)c1cnn(C)c1	798990528	XDELTQYWSADOBL-CYBMUJFWSA-N	318.333	1.038	50	20	DDGD	
CO[C@H](C(=O)NNc1ccc(C#N)c(Cl)c1)c1cnn(C)c1	798991608	NFNYLRILRNFGON-ZDUSSCGKSA-N	319.752	1.776	50	20	DDGD	
C#CCOc1cccc(NC(=O)NNc2nc3ccccn3n2)c1	792297200	KYLCHLOKAJGABP-UHFFFAOYSA-N	322.328	1.890	50	20	DDGD	
COc1cccc(NCC(=O)NN=C(C)c2cc(C)on2)c1	790288571	VTCBHCLDNLXCCS-UHFFFAOYSA-N	302.334	1.944	50	20	DDGD	
C[S@](=O)c1ccc(CC(=O)NNC(=O)CC2CCCC2)cc1	798109120	OFDUOPKYCFLQHW-QFIPXVFZSA-N	322.430	1.694	50	20	DDGD	
C=C(CBr)COC(=O)[C@@H]1CCCCS1(=O)=O	795598247	QBAMWWLLXANBIT-VIFPVBQESA-N	311.197	1.448	50	20	DDGD	
O=C(CCO)NN=C1C(=O)Nc2c(Cl)cc(Cl)cc21	1319069269	UQRXALKEUMSVCD-UHFFFAOYSA-N	302.117	1.148	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H]2CCCC[C@H]2C1	1318507819	RSIYGLQGCMGLCE-GJZGRUSLSA-N	316.405	1.877	50	20	DDGD	
Cc1cnn(-c2ccc(C(=O)NNC(=S)NC(C)C)cc2)c1	1319024846	DTXGGKYVQZCLTC-UHFFFAOYSA-N	317.418	1.698	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)NCc1nc(=O)o[nH]1	1319823898	IUWDWIOMYCKMCM-MRVPVSSYSA-N	303.409	1.693	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CCC[C@@H](F)C2)cc1	1326026109	BDONDLQRWSRDSG-CHWSQXEVSA-N	323.368	1.985	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H](C)n2cccc2)nc1C	1325005492	GAWLDJMPNYHAOK-LLVKDONJSA-N	317.349	1.468	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H]2CC(=O)NNC(=S)NC(C)C	1320282351	RETDJGZRSUFQST-JTQLQIEISA-N	323.418	1.465	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1ccnn1C[C@@H]1CCOC1	1321873932	ONAXYCDXRZWASO-LBPRGKRZSA-N	316.365	1.772	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2CCC(F)(F)C2)cc1	1323958185	BJWYAKSVQYSGQC-SNVBAGLBSA-N	313.304	1.827	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=O)NCC(F)(F)F)c1C	1338996396	PWKKIQXEALKQDK-UHFFFAOYSA-N	307.276	1.108	50	20	DDGD	
COC(=O)c1ccnc(NC[C@@]2(C)C[C@H]2Br)n1	1338055770	XEVGUKCCURKYNP-LDYMZIIASA-N	300.156	1.849	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)CCN1CCC(C)CC1	1330029128	KBHOESHNHBDDON-AWEZNQCLSA-N	308.426	1.269	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(-c2ccc(Cl)cc2)nn1C	1334997109	MMGIPNXODKNAMA-JTQLQIEISA-N	322.796	1.698	50	20	DDGD	
Cc1coc(C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)c1C	1261753808	BBMQPIQKMZDWDP-UHFFFAOYSA-N	323.393	1.600	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NCCC(F)F	1263794910	GHVUIRWHMMOISN-MRVPVSSYSA-N	319.283	1.579	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)N[C@H]2CCC[C@H](F)C2)c1	1261454397	HQNOFXFHSUBCDK-STQMWFEESA-N	322.384	1.977	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H](CC(F)F)C(=O)O	1600787901	ABYZTSMRVXFTLK-MRVPVSSYSA-N	323.727	1.577	50	20	DDGD	
Nc1nc(Cl)ccc1C(=O)NNc1ccc(F)c(C(=O)O)c1	1601220248	SUFQYUUMUXPJML-UHFFFAOYSA-N	324.699	1.911	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cccn(C3CC3)c2=O)nc1	1608905078	XXMSLAMLUAEKPB-UHFFFAOYSA-N	314.301	1.033	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2ccc(F)c(C(=O)O)c2)CCO1	1604676133	KFXPIDGABKBFIC-DTWKUNHWSA-N	311.313	1.718	50	20	DDGD	
CS[C@H](C)CNC(=O)NNc1ccc(C(=O)O)cc1F	1607391010	YBMFPQWTRRDBOA-SSDOTTSWSA-N	301.343	1.902	50	20	DDGD	
Cc1c(NNC(=O)NC[C@@H]2CC[C@H](C)O2)cccc1C(=O)O	1600050826	JVWACSOMBSODQE-ONGXEEELSA-N	307.350	1.887	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2ccc(F)c(C(=O)O)c2)cc1O	1601091713	AHAALRZDEXWNRG-UHFFFAOYSA-N	315.260	1.858	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)c(F)c1)c1cccc(CO)c1	1601556551	ISQNFOIGFVLKDK-UHFFFAOYSA-N	304.277	1.773	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2ccc3[nH]ccc3n2)cc1	1602129140	QBJQSXWJGSYGGY-UHFFFAOYSA-N	310.313	1.947	50	20	DDGD	
C[C@H](Cc1ccc(NC(=O)NNc2cnccn2)cc1)C(=O)O	1604228185	XNGJDWUDPRAAJZ-SNVBAGLBSA-N	315.333	1.888	50	20	DDGD	
O=C(O)c1cc(F)cc(C(=O)NNc2nc3ccccn3n2)c1	1602272239	WLNBAJPPYXNECY-UHFFFAOYSA-N	315.264	1.324	50	20	DDGD	
CC[C@H](C(=O)O)C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1	1609885936	BANWKIZMGXDCRY-ZETCQYMHSA-N	322.346	1.010	50	20	DDGD	
CCC[C@H](O)CC(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1609206039	IWIZSZMKXKSDIO-VIFPVBQESA-N	324.772	1.514	50	20	DDGD	
CCN([C@H](C)C(=O)O)S(=O)(=O)c1ccc(CCl)cc1	1603725130	IAQPUTGWEPIMMC-SECBINFHSA-N	305.783	1.909	50	20	DDGD	
O=C(NN=Cc1sccc1Cl)[C@@H]1CN2CCC[C@H]2CO1	1549320119	KQILGCJKWXTRAT-ONGXEEELSA-N	313.810	1.715	50	20	DDGD	
O=C(NN=Cc1cccc2cc[nH]c12)[C@H]1CN2CCC[C@@H]2CO1	1549318214	ANXLFNQLWFWAHE-HUUCEWRRSA-N	312.373	1.481	50	20	DDGD	
CCCCNC(=O)NN=C[C@H]1CCCO[C@@H]1c1ccnn1C	1552448008	ZPUFPPFRSDGLAE-OCCSQVGLSA-N	307.398	1.973	50	20	DDGD	
CCOc1ccc(NNC(=O)C(C)(C)n2ccc(N)n2)cc1	1578183014	CLTIBLWVGPOIAT-UHFFFAOYSA-N	303.366	1.742	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C2=CCNCC2)cc1F	1579227619	ACXCSNPKSGRWQW-UHFFFAOYSA-N	324.381	1.072	50	20	DDGD	
O=C(O)CC[C@@H]1C[C@@H](C(=O)NNc2cccc([N+](=O)[O-])c2)CO1	1574685516	DRIDTLMNPBOGFA-BXKDBHETSA-N	323.305	1.308	50	20	DDGD	
C[C@H](CCN)NC(=O)NNc1cc(Cl)nc2ncccc12	1575955758	QPYQMNZIGQTCJQ-MRVPVSSYSA-N	308.773	1.647	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H]1CNCCC12CCC2	1579805699	YLKDOSKHVHTKEN-ZDUSSCGKSA-N	316.405	1.928	50	20	DDGD	
C=C(C)[C@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cn1)OCC	1588402707	KOMWLPZQOCJXMF-NSHDSACASA-N	317.353	1.076	50	20	DDGD	
NCc1ncc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])s1	1580354848	LKFFOICPDYPVLP-UHFFFAOYSA-N	311.298	1.406	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)[C@H]2C[C@@H]2C2CC2)C1	1841270609	LKEMZRWNCSCVDC-WOPDTQHZSA-N	314.788	1.770	50	20	DDGD	
CCOc1cc(C(=O)NNc2ccc(C)c(C(=O)O)c2)on1	1597005877	NBDGWPVDEIEYPQ-UHFFFAOYSA-N	305.290	1.837	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1cc(-c2nn[nH]n2)ccc1OC	1590748944	UDBKCJQXXZYQNX-NTMALXAHSA-N	314.305	1.258	50	20	DDGD	
Cc1ncoc1C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1592422299	AVBWJWCXPIAAGQ-UHFFFAOYSA-N	319.712	1.573	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(OCC(=O)O)cc1C	1596509360	IIQGMPHZSONMTH-FLIBITNWSA-N	304.302	1.841	50	20	DDGD	
COC(=O)c1cccc([C@H](NNC(=O)CC(C)(C)C)C(=O)O)c1	1598997364	ZMRSSIPCEGBHJF-ZDUSSCGKSA-N	322.361	1.656	50	20	DDGD	
O=C(O)c1ccc2c(c1)CCCC2=NNC(=O)c1ccnnc1	1776081467	QCIGZDDHCDPOMW-UHFFFAOYSA-N	310.313	1.645	50	20	DDGD	
CN(C)c1ccc(C(=O)O)cc1C=NNC(=O)c1cccnc1	1776017487	CSUAGTZDQUFYTH-UHFFFAOYSA-N	312.329	1.610	50	20	DDGD	
COCCCS(=O)(=O)/C(C#N)=C/c1cc(C(=O)O)c(C)o1	1777207019	LIOHBFAZGDQDAE-IZZDOVSWSA-N	313.331	1.602	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2ccc(C)c(C(=O)O)c2)n[nH]1	1776028573	LTCBEJRIKDZDTK-UHFFFAOYSA-N	300.318	1.418	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cc(Cl)cn1C	12394111	VYOFMOBPHOXCCJ-UHFFFAOYSA-N	307.737	1.762	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=S)NC3CC3)[nH]n2)cc1	14338721	LVPWPCXCIGQMNF-UHFFFAOYSA-N	315.402	1.656	50	20	DDGD	
CC(C)(C#N)C(=O)NNc1c(F)cc(C(=O)NC2CC2)cc1F	160002290	XCQHUPJDYWHLQT-UHFFFAOYSA-N	322.315	1.850	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cccc([N+](=O)[O-])c2)[nH]n1	152159269	OSAIMANPSSMCDI-UHFFFAOYSA-N	304.266	1.093	50	20	DDGD	
CC1(C)CCCC[C@@H]1NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	156725248	LCILLWALKLTWHA-FZMZJTMJSA-N	317.455	1.336	50	20	DDGD	
O=C(C[C@@H]1COC(=O)C1)NNC(=O)c1ccc2ccccc2c1	154628065	WXYUUOKZTZNFME-NSHDSACASA-N	312.325	1.554	50	20	DDGD	
COC(=O)C1(N(C)S(=O)(=O)CCCCCl)CCCC1	154773627	AIBBAKUDTMGFEF-UHFFFAOYSA-N	311.831	1.753	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H]1CCN(c2ccc(C)cc2)C1=O	159682495	AETHDWJAUISZID-BMOGTNHUSA-N	313.357	1.661	50	20	DDGD	
Cc1c(F)cccc1NC(=O)C(=O)NNC(=O)c1ccccc1	159552854	QWTYMTKAJAYBQN-UHFFFAOYSA-N	315.304	1.534	50	20	DDGD	
O=S(=O)(CBr)NCc1cccc2c1OCO2	127352751	OZBUMFQHJBTLGW-UHFFFAOYSA-N	308.153	1.187	50	20	DDGD	
C[C@H](CBr)CN(C)[C@H](C)[C@H](C)S(C)(=O)=O	248740568	ROENRFNBVCJRDM-BBBLOLIVSA-N	300.262	1.771	50	20	DDGD	
Cc1sc(C(=O)O)cc1S(=O)(=O)N1CC=C(C#N)CC1	871934375	HQYBSJYNNIYHCD-UHFFFAOYSA-N	312.372	1.599	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)[C@H]1COc2ccccc2O1	118504647	AQUDKXPBQAQERW-SNVBAGLBSA-N	306.709	1.413	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCCN(CC)CC)c1ccccc1	111790291	KOFJHUIRBGBNEI-OAHLLOKOSA-N	320.437	1.852	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1ccc(C)cc1F	105387835	BBGNUHLHMSBYIY-UHFFFAOYSA-N	303.359	1.427	50	20	DDGD	
CCn1c(NNC(=O)CCC(C)=O)nc2ccccc2c1=O	176365094	VJFGVLJRKJVQSE-UHFFFAOYSA-N	302.334	1.229	50	20	DDGD	
O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNc1ccccc1	104219819	SDYRTYWIHYDMJV-ZIAGYGMSSA-N	315.373	1.695	50	20	DDGD	
Cc1oc2ncn(C)c(=O)c2c1C(=O)NNC(=O)CC(C)(C)C	171483822	QRNODMHXVBGUCQ-UHFFFAOYSA-N	320.349	1.032	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1oc2ccccc2c1C	54421113	YBWBHQWGFAZPTK-UHFFFAOYSA-N	305.334	1.722	50	20	DDGD	
CCn1cc(NC(=O)NNc2ccccc2[N+](=O)[O-])ccc1=O	170697658	WYFRJPMRRDXRDN-UHFFFAOYSA-N	317.305	1.925	50	20	DDGD	
CNc1cc(C(=O)NNC(=O)c2ccncc2)cc(Cl)n1	118302984	HTRSPMRJNUNZLB-UHFFFAOYSA-N	305.725	1.247	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCc1nc2ccc(F)cc2n1C	178965642	MJPQPYASHPFNJH-ZHACJKMWSA-N	316.336	1.815	50	20	DDGD	
CNC(=O)NNC(=O)Cc1csc(Cc2ccc(F)cc2)n1	65596364	YHLMIYQPRILBHQ-UHFFFAOYSA-N	322.365	1.376	50	20	DDGD	
CC[C@H]1C[C@H](C(=O)NNC(=O)CNc2ccc(C)cc2)CCO1	182972966	UNCBSILDJPHKOA-HIFRSBDPSA-N	319.405	1.760	50	20	DDGD	
C[C@@H](C1CC1)N(CC(=O)NNC(=O)C1CC1)Cc1ccccc1	112976802	DLIPKLQIGCMMBI-ZDUSSCGKSA-N	315.417	1.845	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc[nH]2)C12CCC2	175657752	IQJTVVBVHUJERZ-NWDGAFQWSA-N	306.366	1.306	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C2[C@H]3CCC[C@@H]23)cc1	178096391	AQXRDGOPYKZFSN-NNQSOWQGSA-N	303.362	1.301	50	20	DDGD	
COc1ccc(OCCCC(=O)NNC(=O)NCC2CC2)cc1	65197423	WJJKHHILBGJYBD-UHFFFAOYSA-N	321.377	1.595	50	20	DDGD	
CCc1ncsc1C(=O)NNC(=O)c1ccc(C)cc1O	123473458	FLTOBUHNPUIHFK-UHFFFAOYSA-N	305.359	1.794	50	20	DDGD	
COCCOCCC(=O)NNc1ccc(OC(F)F)cc1	122681527	HOICQWWBPBLZPE-UHFFFAOYSA-N	304.293	1.784	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1cccnc1O	188246521	VNHGJHWGIBPGBF-UHFFFAOYSA-N	314.330	1.458	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)CCn2ccnc2)c1	72655541	GBXDZYPTSGZXHF-UHFFFAOYSA-N	316.361	1.116	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Cc1ccc(F)cc1Cl	124339149	PJSBVDHCHIQQGO-UHFFFAOYSA-N	310.716	1.514	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1nc(C2CC2)cs1	185891375	CLOXXNSUYAWGBO-UHFFFAOYSA-N	306.351	1.968	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)C(C)(C)c1ccccc1	77163629	BCWOQILSXPIYJC-UHFFFAOYSA-N	319.405	1.416	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1ccc([S@](C)=O)cc1	186161187	NFEBNQMJVKFSSH-QFIPXVFZSA-N	320.374	1.229	50	20	DDGD	
CC(C)CCC(=O)NCC(=O)NNc1nnc(C2CC2)s1	184501273	FSLTWDMMPAGJHS-UHFFFAOYSA-N	311.411	1.411	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)Nc1ccn(C)n1	184699593	DOFZJTCQXSRDGL-UHFFFAOYSA-N	317.349	1.214	50	20	DDGD	
CC[C@H](O)[C@H]1CCCCN1CC(=O)NNC(=O)c1ccccc1	182328565	PXLRYACLAIDUOD-CABCVRRESA-N	319.405	1.073	50	20	DDGD	
COc1ccnc(NNC(=O)NCCN(C(C)C)C(C)C)n1	43063861	NAZXZOGLNJHDGA-UHFFFAOYSA-N	310.402	1.230	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C[C@H]2CCCCO2)cc1C	86978169	NCFJVNCHRTWREW-CQSZACIVSA-N	320.389	1.789	50	20	DDGD	
CC(=O)N1CC(C(=O)NNc2c(Cl)cccc2Cl)C1	191916215	MKRIGZYZNPNXHX-UHFFFAOYSA-N	302.161	1.915	50	20	DDGD	
CCN1CCC[C@@H]1CNC(=S)NNC(=O)OC(C)(C)C	43562352	JRIFBNLFSWAGQI-SNVBAGLBSA-N	302.444	1.375	50	20	DDGD	
CC(C)(C)C(=O)NCCC(=O)NNc1ccccc1[N+](=O)[O-]	42657981	MOXSTROCKKBGDS-UHFFFAOYSA-N	308.338	1.590	50	20	DDGD	
CC(C)(C)OC(=O)CCC(=O)NNc1nccnc1Cl	192942745	QILHJOMEECNNRH-UHFFFAOYSA-N	300.746	1.695	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)NC1CCCCC1)N1CCCC1=O	195454074	ZRFNLEOLGGCQHD-CQSZACIVSA-N	324.425	1.297	50	20	DDGD	
O=C(COc1cc(Cl)ccc1Cl)NNC(=O)C1CC1	198124909	OVEKCTWIOUYHPR-UHFFFAOYSA-N	303.145	1.930	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)C[C@H](C)OC)o1	195440101	NLDAESULMIINJN-NSHDSACASA-N	311.382	1.307	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CCC[C@@H](C)CC2)n1	190925791	IVHBMUQRJMMBON-BXUZGUMPSA-N	321.425	1.799	50	20	DDGD	
O=C(CC1CCNCC1)NNc1nc(-c2ccccc2)no1	238143707	NKJLRFNDYNARCK-UHFFFAOYSA-N	301.350	1.569	50	20	DDGD	
C[C@H]1[C@H](C)CCN1CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	248343511	KKAIEILQYJTNSF-MNOVXSKESA-N	320.349	1.086	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NCCC1=CCCCC1	267126339	QUWQCOARMPYOOU-GFCCVEGCSA-N	313.398	1.259	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)CCOC)cc1OC	263917220	OKTIABRFGQDCOA-UHFFFAOYSA-N	324.377	1.672	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)C1CCSCC1	268243147	VLDPSRXIUQXVOL-UHFFFAOYSA-N	304.375	1.922	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(Cl)cc1	267182564	XRXZULHNTXRQAN-VIFPVBQESA-N	315.757	1.544	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cncnc2C)c(C)c1	263982417	BVSFJHLQYOREIB-UHFFFAOYSA-N	313.361	1.275	50	20	DDGD	
COCCCOc1ccc(C(=O)NNC(=O)NC(C)C)cc1	267363561	OGCIQBSRHPBTMM-UHFFFAOYSA-N	309.366	1.454	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCN3CCCC[C@@H]23)o1	267667068	DMECPLGFQRSEGD-RYUDHWBXSA-N	306.366	1.159	50	20	DDGD	
CC(=O)NNC(=O)c1nn(-c2ccc(C)cc2F)c2c1CCC2	264481974	YCSXAUIGWNNJSV-UHFFFAOYSA-N	316.336	1.589	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)N[C@@H]1CCN2CCCC[C@@H]12	266687336	DPUYYDPZJSXCLW-NEPJUHHUSA-N	309.801	1.988	50	20	DDGD	
Cn1ccnc1[C@@H]1CCCN(S(=O)(=O)CBr)C1	369338796	KNVCRSHKEGVFNQ-SECBINFHSA-N	322.228	1.282	50	20	DDGD	
COc1ccc(OCC(=O)NNc2nccnc2OC)cc1C	274145958	YBZBVDDTYKJKMC-UHFFFAOYSA-N	318.333	1.324	50	20	DDGD	
Cn1cc(-c2ccc(NC(=O)NNC(=O)C(C)(C)C)nn2)cn1	278958724	NDDDJMQFWYOBPX-UHFFFAOYSA-N	317.353	1.076	50	20	DDGD	
C[C@@]1(C(=O)NNc2nc(-c3ccccc3)no2)CCCOC1	272954489	VOSKRSIJIJTSCQ-OAHLLOKOSA-N	302.334	1.996	50	20	DDGD	
CSCCNC(=S)NNC(=O)CC(C)(C)CC(C)=O	276551337	QHUQCJHCMSCURS-UHFFFAOYSA-N	305.469	1.240	50	20	DDGD	
CCNC(=O)N(C)NC(=O)COc1ccc(C(F)(F)F)cc1	271243845	BIIRJJWYKFAJDY-UHFFFAOYSA-N	319.283	1.777	50	20	DDGD	
C[C@H]1C[C@@H](CCNC(=O)NNc2nc3ccccn3n2)CCO1	276800203	KHAKWXIAIZZKMN-RYUDHWBXSA-N	318.381	1.561	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2ccc3ccccc3n2)CCCOC1	272938940	RVCRJFODMJODLC-QGZVFWFLSA-N	313.357	1.813	50	20	DDGD	
CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)cn1	273713988	NNTKSHYEMMOHFF-UHFFFAOYSA-N	322.365	1.001	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNC(=S)Nc1ccc(C)c(C)c1	270441577	AFNBBDIBWSVUOL-JTQLQIEISA-N	324.406	1.366	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(OC)c1C	274024360	BCWMMENJSUBZRD-VIFPVBQESA-N	321.377	1.444	50	20	DDGD	
CC[C@@H](C)Oc1cccc(NC(=O)C(=O)NNC(=O)OC)c1	274139244	AWYYXCSAZFQGRH-SECBINFHSA-N	309.322	1.190	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@]1(C)CCCOC1	272595495	DEMIHYUNLUURJO-BDJLRTHQSA-N	324.352	1.557	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccc(OC2CCCC2)cc1	274140923	BDGCORDHDNDYOP-UHFFFAOYSA-N	321.333	1.334	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)[C@H]1C[C@]12CCOC2	372017044	VJPYFJREUPEFDX-DOMZBBRYSA-N	323.780	1.597	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1c(C)coc1C	287257698	PYBDKOXPTGISND-UHFFFAOYSA-N	302.330	1.909	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2COc3cc(F)cc(F)c32)nn1	378638214	AGWMUJIGQXCYHT-JTQLQIEISA-N	321.287	1.823	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)Cc2ccccc2OC)C1	286817779	XHBZXSWSJMEIPL-UHFFFAOYSA-N	306.362	1.200	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2	372277207	GELCVOMJJKLPIH-FNCVBFRFSA-N	324.299	1.898	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@](C)(C#N)CC	287239789	IZOOSIVWYCTKPT-MRXNPFEDSA-N	303.362	1.715	50	20	DDGD	
Cc1cn(-c2ccc(F)cc2)nc1C(=O)NNC(=O)C1CCC1	283127649	HXYLUFIYPZYDRY-UHFFFAOYSA-N	316.336	1.881	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)COc2cccc(C)c2)CC1	282945215	HCZFBWFSNGXVOZ-UHFFFAOYSA-N	306.362	1.338	50	20	DDGD	
COCCN(C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)n1	288411582	LPIUACXZQCCPEA-UHFFFAOYSA-N	306.341	1.543	50	20	DDGD	
CC(C)C[C@H]1OCCC[C@H]1NC(=O)NNc1ncncc1F	292959974	HKVBGHSDTDFPMP-VXGBXAGGSA-N	311.361	1.836	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)c1cncs1	807318099	GAVUKAJEOMDZBI-UHFFFAOYSA-N	301.331	1.174	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)CBr)Cc2ccccc2O1	291602253	AABNQYXPSWZEGV-SECBINFHSA-N	320.208	1.952	50	20	DDGD	
CCN1C[C@H](C(=O)Oc2ccc([N+](=O)[O-])cc2OC)CC1=O	299660778	LOVJLFQUGUZMLN-SECBINFHSA-N	308.290	1.377	50	20	DDGD	
C[C@H](NC(=O)NNc1ncc(F)cc1F)C1=CCN(C)CC1	297286974	LMDOMFRRQSCKRN-VIFPVBQESA-N	311.336	1.636	50	20	DDGD	
CN(NC(=O)CNC(=O)c1cccs1)C(=O)OC(C)(C)C	297765276	TZPASQBMGAIJOA-UHFFFAOYSA-N	313.379	1.376	50	20	DDGD	
O=C(NCCN1CCSCC1)NNc1ncc(F)cc1F	297205760	LACGCWIFXXFROI-UHFFFAOYSA-N	317.365	1.035	50	20	DDGD	
CSCC[C@H](O)C(=O)NNc1nc(-c2ccccc2)no1	294632353	OIMMBDNCFIIAMO-JTQLQIEISA-N	308.363	1.294	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccc(F)cc2)CCOCC1)C1CC1	292318321	MDEBSLQYILYECM-UHFFFAOYSA-N	320.364	1.722	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2ccc3c(c2)OCCO3)O1	292770806	LCNKYPAWHOWLSL-CABZTGNLSA-N	321.333	1.178	50	20	DDGD	
CN(NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccccc1	298347411	UWSPKVWGLLSEAT-JTQLQIEISA-N	315.295	1.565	50	20	DDGD	
CN(C)[C@H](C(=O)NNC(=O)NC1CCCC1)c1ccccc1	299699620	ZWWJTKDAUUJLST-AWEZNQCLSA-N	304.394	1.562	50	20	DDGD	
CC(C)CCC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1	802710095	OUPKVGMEGBERFU-GFCCVEGCSA-N	315.439	1.675	50	20	DDGD	
CN(C)c1ccccc1NC(=O)C(=O)NNc1ncccc1F	807300845	LXJFHWNTKKWETE-UHFFFAOYSA-N	317.324	1.369	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Nc1cccc2c1CNC2=O	806754399	RTIBJGNOVZYOFI-UHFFFAOYSA-N	324.340	1.705	50	20	DDGD	
Cc1nc2ccc(NC(=O)NNC(=O)[C@@H]3CCCO3)cc2s1	292709275	HALIRGAFYHAUGV-NSHDSACASA-N	320.374	1.936	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802107441	UXUPIGISSAZBMG-AWEZNQCLSA-N	309.322	1.383	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNC(=O)c1ccc2ccccc2c1	806509944	IKPNKDOKPWTCQK-UHFFFAOYSA-N	321.336	1.822	50	20	DDGD	
Cc1cc(-n2c(C)cc(C(=O)NNC(=O)CC3CC3)c2C)no1	294023346	CIGLFEQBMVJFAU-UHFFFAOYSA-N	316.361	1.952	50	20	DDGD	
C=CCC(C)(C)C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1	295302128	XVBXYWMZDJNUOK-STQMWFEESA-N	311.426	1.235	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1Cc2ccccc2OC(C)(C)C1	808791486	ZWOKVIHIEDMRMK-GFCCVEGCSA-N	319.405	1.606	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNc2ccncn2)cc1OC	295519124	QEGSDYXPBQXGBY-LLVKDONJSA-N	316.361	1.816	50	20	DDGD	
CC1(C)COc2ccc(C(=O)NNC(=O)c3ccncc3)cc21	809937342	NYBHQTOFFOJLDW-UHFFFAOYSA-N	311.341	1.826	50	20	DDGD	
CN(C)c1ncccc1C(=O)NNc1nccnc1C1CCC1	805460456	JKKBLMOYUBLPCC-UHFFFAOYSA-N	312.377	1.962	50	20	DDGD	
COc1ccc(F)c2[nH]c(C(=O)NNC(=O)CC3CC3)cc12	294079284	HSKHSIGFDVBHPZ-UHFFFAOYSA-N	305.309	1.877	50	20	DDGD	
CN1CCC[C@@H]1C(=O)NNC(=O)c1ccc(Cl)cc1Cl	299490678	FVMAUIHWCLCOIQ-LLVKDONJSA-N	316.188	1.849	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1c[nH]c(C(F)(F)F)c1	815505957	FDRWXJKGHNKZBT-UHFFFAOYSA-N	301.228	1.140	50	20	DDGD	
C[C@@H]1SCCC1=NNC(=O)Cn1nnc(-c2ccccc2)n1	814704558	NQJMHSCFTXUZKB-JTQLQIEISA-N	316.390	1.338	50	20	DDGD	
Cc1oc(-c2cnn(C)c2)nc1C(=O)NCCCSC#N	816539682	POGPUMDOTZVJGE-UHFFFAOYSA-N	305.363	1.718	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)c2cc(F)c[nH]2)c1	815391258	OKNKUFPLUQOHGM-UHFFFAOYSA-N	319.292	1.080	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1O	812478209	PTEFUFDIHSGLPP-DTWKUNHWSA-N	314.769	1.725	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)COc1ccc(C#N)cc1	812532412	RMLIXMZNEUNUHV-NEPJUHHUSA-N	319.361	1.003	50	20	DDGD	
CC(=NNC(=O)c1c[nH]nc1C)c1cc([N+](=O)[O-])ccc1N	814852435	YKKRMYPABNWPRK-UHFFFAOYSA-N	302.294	1.363	50	20	DDGD	
O=C(NNc1ncncc1F)C1=NO[C@@H](c2ccccc2)C1	817071457	TWZJKRTXDOGOTD-GFCCVEGCSA-N	301.281	1.576	50	20	DDGD	
COc1ccc(NNC(=O)CC2CCN(C)CC2)c([N+](=O)[O-])c1	813487000	HOJNKNINHVUYAM-UHFFFAOYSA-N	322.365	1.778	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1c(F)cc(C)cc1F	818049580	TVSVNQMOSAJFFG-QMMMGPOBSA-N	306.334	1.629	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1sc(N(C)C)nc1Cl	822367852	NAJQWKSQGBSWIU-UHFFFAOYSA-N	304.803	1.670	50	20	DDGD	
Cc1nc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c(C)s1	826323527	HWDUQUCSQMKBCO-UHFFFAOYSA-N	315.362	1.697	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCC(F)(F)Br)cn1	490969403	DQNSDYGJRAXWTG-WAPJZHGLSA-N	319.109	1.431	50	20	DDGD	
CC(C)C(=O)NNC(=O)CSc1nnc(NC2CC2)s1	828808701	WCMOFHSOMJVGNN-UHFFFAOYSA-N	315.424	1.008	50	20	DDGD	
CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)[C@H]1CCCOC1	823953912	VDELKQWOQVPAOL-ZDUSSCGKSA-N	314.349	1.399	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)Nc1ccc(F)nc1	826447928	BGHSHOATJLGOFT-UHFFFAOYSA-N	314.284	1.549	50	20	DDGD	
CN(NC(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)C1CC1	824210365	CMAJEZUTHMTMKR-NSHDSACASA-N	316.361	1.023	50	20	DDGD	
CC(=NNC(=O)c1cccn1C)c1ccc2c(c1)NC(=O)CO2	725846551	MLDCWFYMIWQSTC-UHFFFAOYSA-N	312.329	1.510	50	20	DDGD	
CC(=O)NNC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1	496156253	RNNZZODACHJPIV-AWEZNQCLSA-N	319.361	1.345	50	20	DDGD	
CSC(C)(C)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	827595778	QFQJASONPZPLFQ-UHFFFAOYSA-N	318.402	1.775	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C/c1ccc(S(C)(=O)=O)cc1	490611483	QMJUHIXDNILIDN-JLHYYAGUSA-N	306.387	1.913	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NN=Cc1cccs1	491439418	GMVXTRXWSFIWGY-UHFFFAOYSA-N	312.395	1.906	50	20	DDGD	
CCCCNC(=O)NN=C(C)c1ccc(-c2nn[nH]n2)c(F)c1	825291213	OGPZWQJNOJAJIX-UHFFFAOYSA-N	319.344	1.829	50	20	DDGD	
COc1cc([C@H](C)NCc2ccc(B(O)O)cc2F)ccc1F	585031514	GEDCTQXNGPZIRH-JTQLQIEISA-N	321.132	1.504	50	20	DDGD	
C[C@@H]1[C@@H](C(=O)Nc2cccc(B(O)O)c2)CCN1c1ccccc1	584912113	CHBQIVBQKHOPME-DYVFJYSZSA-N	324.189	1.220	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)C1[C@@H]2CCCCCC[C@@H]12	829566054	PZQWYRHSUQLGEG-ZIAGYGMSSA-N	301.390	1.988	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)C(C)(C)c2ccccc2)CO1	825957458	MAUFJKJIKVNNDY-AAEUAGOBSA-N	305.378	1.472	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=S)N[C@H](C)C2CC2)c(O)n1	824446702	QHCAHCRVGGXWNO-SECBINFHSA-N	322.434	1.818	50	20	DDGD	
C[C@@](C#N)(NC(=O)c1ccc(B(O)O)c(F)c1)C1CCCCC1	584947077	FWVGBUBEBHBRFW-INIZCTEOSA-N	318.157	1.098	50	20	DDGD	
Cc1ccc(NNC(=O)c2cc(-c3nn[nH]n3)cs2)cc1	826291711	RVCQTLAVSJLFRU-UHFFFAOYSA-N	300.347	1.994	50	20	DDGD	
CCOc1ccc(OCC)c(NCc2ccccc2B(O)O)c1	585011638	AAWNUMIVPHPDCC-UHFFFAOYSA-N	315.178	1.776	50	20	DDGD	
OB(O)[C@H]1CCN(Cc2ccc(OCCN3CCCC3)cc2)C1	585076169	KKSUOEXPRURIKF-INIZCTEOSA-N	318.226	1.210	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cccc(OC)c1OC	901855377	RAKAYCJORQXNNW-SECBINFHSA-N	316.379	1.059	50	20	DDGD	
C=CC(=O)N(CC)CC(=O)NNc1cccc(C(=O)OC)c1F	909360877	FHOTUJRMHRMCLW-UHFFFAOYSA-N	323.324	1.090	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@@H]1CCC(F)(F)C1	826676386	CGFBSSZFDJSXDA-AEJSXWLSSA-N	305.325	1.177	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1CCc2cc(F)ccc21	734296515	MDAQJSCHGWHWSC-LBPRGKRZSA-N	319.380	1.561	50	20	DDGD	
COc1ccc(Cl)cc1NCC(=O)NN(C)[C@@H](C)CO	823965139	JCUURSDNXKLSSX-VIFPVBQESA-N	301.774	1.104	50	20	DDGD	
N#C[C@]1(C(=O)NNc2ncccc2[N+](=O)[O-])CC12CCCC2	826897141	JNDHFKWZWNVDJN-AWEZNQCLSA-N	301.306	1.907	50	20	DDGD	
CC(C)COc1ccc(CNCc2ccc(B(O)O)o2)cc1	585017355	VGPQIZYNAVBDIX-UHFFFAOYSA-N	303.167	1.284	50	20	DDGD	
COC(=O)NCCC(=O)NNC(=S)Nc1ccc(C)cc1C	730841796	NYIVMAOZBCONOQ-UHFFFAOYSA-N	324.406	1.367	50	20	DDGD	
CC(=O)NNC(=O)c1cc(OCc2ccccc2)ccc1O	738505126	GDBFIOPLAMKLER-UHFFFAOYSA-N	300.314	1.752	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2ccc3c(c2)nnn3C)cc1	737424376	GYAOTBVEKACLPX-UHFFFAOYSA-N	323.356	1.806	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2c(C)[nH]c(C(=O)O)c2C)o1	832912197	XMBUTBXFGNJMRJ-UHFFFAOYSA-N	305.290	1.306	50	20	DDGD	
COCCc1ccccc1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	831710878	ACGUOZBNRSZFJD-YPMHNXCESA-N	321.377	1.453	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C1CN(C2CCCCC2)C1	837318346	ZUJRAXYEPPNEIY-UHFFFAOYSA-N	304.394	1.051	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCC[C@@H]1C1CC1	839482145	YAFIZGVBKZGHFB-MRXNPFEDSA-N	315.417	1.559	50	20	DDGD	
CCc1ccc(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)s1	731152198	YAORLOVIXJMHDP-SECBINFHSA-N	315.420	1.131	50	20	DDGD	
O=C(NNC(=O)c1ccc(C(=O)O)c(F)c1)NC1CCCCC1	833149599	VVULOUSNWVBKMI-UHFFFAOYSA-N	323.324	1.801	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cc2c(nc1O)CCCC2	731574461	YSMBXXHXSXXELB-UHFFFAOYSA-N	303.362	1.617	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1NC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	838760932	IDFQSMNPZYIETM-GMXVVIOVSA-N	323.368	1.968	50	20	DDGD	
CC[C@H](CNCc1cccc(B(O)O)c1)Oc1ccccc1F	585030071	DWXOVAZFGVXSSU-OAHLLOKOSA-N	317.169	1.453	50	20	DDGD	
CN(C)c1cc(C(=O)NN=C2COc3ccc(F)cc32)ccn1	731561525	KDMXVGUQTKMIOZ-UHFFFAOYSA-N	314.320	1.813	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C(F)(F)CC)nc1C	831780022	MSUOTWJCFLCRDP-UHFFFAOYSA-N	302.281	1.450	50	20	DDGD	
CC1(C)C[C@@]1(NC(=O)c1ccc(B(O)O)cc1)c1ccccc1	585011202	XZPFCQICTHTYKJ-GOSISDBHSA-N	309.174	1.422	50	20	DDGD	
O=C(O)NNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1	738658311	AFSZUAFNAGSNMX-UHFFFAOYSA-N	308.294	1.498	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2C[C@H](C)n3ccnc32)n1	838691619	XBVJKNCPBLOFAI-DTWKUNHWSA-N	303.326	1.014	50	20	DDGD	
CN(C(=O)c1cc(B(O)O)ccc1F)[C@H]1CCC[C@@H]1C(C)(C)C	585001637	ZTBZCWSCYZLLNU-ZFWWWQNUSA-N	321.201	1.792	50	20	DDGD	
CCOC(=O)[C@@H]1CCN(C(=O)[C@]2(C)C[C@H]2Br)C1	834863627	YFNYTNIJKUEKTB-KBVBSXBZSA-N	304.184	1.572	50	20	DDGD	
CC(C)(CC(=O)O)CC(=O)NNC(=O)c1cccc(C#N)c1	833454299	JTEFXTGCOIDYQZ-UHFFFAOYSA-N	303.318	1.210	50	20	DDGD	
Cc1sc(C(=O)NN(C)C[C@H](C)O)cc1Br	910147908	WFARFDDNISFRSB-LURJTMIESA-N	307.213	1.776	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)[C@@H](C)CN1CCCCC1	834933428	PHDTVNQRQOBKJA-LBPRGKRZSA-N	306.414	1.179	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(-c2nnc(C)o2)cc1	746171758	XRDLJEMJFWXWJE-UHFFFAOYSA-N	303.322	1.399	50	20	DDGD	
N#Cc1ccc(F)c(CNC(=O)NNC(=O)c2ccc[nH]2)c1	745892972	LAYRGEOHPBTJGF-UHFFFAOYSA-N	301.281	1.170	50	20	DDGD	
Cc1nn2cccnc2c1C(=O)NNC(=O)NC1CCCCC1	919972550	SVQWVKDVEODZEX-UHFFFAOYSA-N	316.365	1.314	50	20	DDGD	
COCCOc1ccccc1C=NNC(=O)[C@@H]1CCO[C@H]1C	842554124	MZDBCBDICLOBGK-GXTWGEPZSA-N	306.362	1.587	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(F)c(Cl)c1	843651814	FXGWXVSPPLDJRZ-APPZFPTMSA-N	300.717	1.665	50	20	DDGD	
O=C(NNc1c(F)cccc1F)[C@@H]1CC(=O)N(c2cn[nH]c2)C1	748854082	TZTNTLRXYPPYTA-MRVPVSSYSA-N	321.287	1.184	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O	742034702	NZDZEDUWKZBYME-LBPRGKRZSA-N	323.780	1.496	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C/C=C\c1ccc(F)cc1	747755840	WZCDGEPBCAQFAO-ASDISMNNSA-N	319.380	1.909	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)nn1C	917519157	JXPJJPVHTNHHNI-JTQLQIEISA-N	320.324	1.096	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1(c2ccccc2F)CC1	843654124	ZGQPEDNFGFMZRP-MNOVXSKESA-N	306.337	1.430	50	20	DDGD	
O=C(NNC(=O)[C@@H](c1ccccc1)n1cccn1)c1cccnc1	748697148	OHLJHRHEUHHEPW-OAHLLOKOSA-N	321.340	1.329	50	20	DDGD	
N[C@@H]1CCC[C@H](NC(=O)NNc2ccc3c(=O)[nH]ccc3c2)C1	841982259	SFZUECRCLQAGMB-NEPJUHHUSA-N	315.377	1.424	50	20	DDGD	
O=C(Cc1ccc(NC(=O)C2CC2)cc1)NNC(=O)C1CCC1	742662945	DCOKSFUFOUVOPA-UHFFFAOYSA-N	315.373	1.525	50	20	DDGD	
O=C(CNC(=O)c1ccncc1)NNc1cccc2c1CCCC2	749281674	VHACMHGADBFIFP-UHFFFAOYSA-N	324.384	1.834	50	20	DDGD	
CC(C)OCCCC(=O)NNc1cc(O)nc2ncccc12	913991441	TWBQOOGZRLTLKU-UHFFFAOYSA-N	304.350	1.984	50	20	DDGD	
Cc1nc(C(C)C)ccc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843656955	BPQVELWWPBCBNB-AAEUAGOBSA-N	305.378	1.699	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N2C[C@@H]3[C@@H](C2)C3(F)F)cc1	846710449	MFQGGFDCDKRXPF-GHMZBOCLSA-N	306.272	1.110	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)CCC2CCCCCC2)nn1	848372011	DPJUQFQGOFGFEY-UHFFFAOYSA-N	305.382	1.769	50	20	DDGD	
CC(C)(C)OC(=O)c1ccc(C(=O)NNC(=O)CC2CC2)nc1	843897335	UZZJCLRHHBJNHB-UHFFFAOYSA-N	319.361	1.598	50	20	DDGD	
C[C@@H](CN1CCCCCC1)C(=O)NN=C1C[C@@H](C)n2ncnc21	841613948	JRCJQTGUCWBDFM-QWHCGFSZSA-N	318.425	1.575	50	20	DDGD	
CC(C)CCOc1ccc(C(=O)NNC(=O)NC[C@@H](C)N)cc1	841985617	PUFDNGAEWCKYMP-GFCCVEGCSA-N	322.409	1.403	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)COCc2ccccc2)CS1	840420187	RFPZOOAUWPZJCN-YPMHNXCESA-N	323.418	1.428	50	20	DDGD	
O=C(Cc1ccncc1)NN=Cc1cc([N+](=O)[O-])ccc1O	747642350	STKGUOKLOYAROL-UHFFFAOYSA-N	300.274	1.388	50	20	DDGD	
CCCn1ccc2ccc(NC(=O)NNC(=O)CCCN)cc21	841120854	NYWCPKOYNHDWTM-UHFFFAOYSA-N	317.393	1.943	50	20	DDGD	
COC(=O)NNC(=O)[C@@H](OC)c1ccccc1Br	848367996	QDFLUWFCYVREDY-VIFPVBQESA-N	317.139	1.524	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)Cc2cc(O)nc(S)n2)s1	748780122	FMFCVFHZKFWHJO-UHFFFAOYSA-N	319.371	1.097	50	20	DDGD	
C/C=C\C(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1	748521379	OZMZGAZAKOMBLJ-IHWYPQMZSA-N	308.281	1.999	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cc(Cl)ccc1O	740762377	NWOTWXUQCPAAQQ-UHFFFAOYSA-N	311.769	1.801	50	20	DDGD	
C[C@@H](CCCCN)NC(=O)NNC(=O)c1cc2ccccc2o1	841997929	YZSRSMLQZNCXEE-NSHDSACASA-N	318.377	1.894	50	20	DDGD	
CC(C)Oc1ccc(NC(=O)NNC(=O)CCCN)c(F)c1	841090046	UKSISILPCFZLHB-UHFFFAOYSA-N	312.345	1.505	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)O1	756982231	CDRCQARYLLCNAF-KGLIPLIRSA-N	320.393	1.863	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(Cl)ccc1O	752735322	SNIFPNOZADPGAF-UHFFFAOYSA-N	319.839	1.518	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C	924577824	LPUIUCHXRHPLSO-XZHRJIJLSA-N	323.393	1.946	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cc2c(cc1OC)OCO2	758870335	VKQQECJRSYQIHV-UHFFFAOYSA-N	321.377	1.606	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccc(Cl)cc1-n1cccc1	756525943	DOVCTNDGLUBVGO-UHFFFAOYSA-N	308.725	1.276	50	20	DDGD	
Cc1ccc2c(c1)CN(C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)CC2	852394507	TWERDMJEQZVIJM-SWLSCSKDSA-N	317.389	1.519	50	20	DDGD	
O=C(NN=Cc1cc(Cl)cs1)[C@@H]1CN2CCC[C@@H]2CO1	853390393	WKSYBSNAMIYIAF-PWSUYJOCSA-N	313.810	1.715	50	20	DDGD	
COc1cc(NC(=O)NC[C@@]2(C)C[C@@H]2Br)ncn1	856848181	CPHITFUASKSAEW-WRWORJQWSA-N	315.171	1.780	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C(/C)c1cccs1	856983716	WBMNHCXRZWLAPK-HSTULFTRSA-N	310.375	1.641	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@]2(C(=O)O)C[C@H]3CC[C@H]2C3)n1	852943792	ZURVYBYWVKMJMW-PGUXBMHVSA-N	304.350	1.428	50	20	DDGD	
CCn1ccc(CNC(=O)NC[C@]2(C)C[C@H]2Br)n1	856863350	ILBWUKRVGMBBCS-PWSUYJOCSA-N	315.215	1.876	50	20	DDGD	
Cn1cc([C@H](O)C(=O)OC[C@@H](CBr)C2CC2)cn1	859693392	ZUZHLXJTDJWRGE-KOLCDFICSA-N	317.183	1.418	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@H]1CCC(C)=C(C)C1	854286519	RQOPCUMKEOJZSB-ZDUSSCGKSA-N	313.467	1.997	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)/C=C/SC)cc1	751457708	KFCZFHAYHRWMJS-PBQZMEPESA-N	324.402	1.877	50	20	DDGD	
O=C(CCOc1ccc(F)cc1)NNC(=O)OCC(F)(F)F	856025784	ZOVYCUVSCQQPMO-UHFFFAOYSA-N	324.230	1.914	50	20	DDGD	
C[C@H]1COC[C@@H]1NC(=O)NNC(=O)Nc1cc(F)cc(F)c1	926021390	WQQCIOSPEVLLCF-CPCISQLKSA-N	314.292	1.335	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2nc3c(s2)CCC3)nn1	924586376	JABDRWZJDISUST-UHFFFAOYSA-N	304.379	1.557	50	20	DDGD	
C#CCNC(=S)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	758177936	ZQYUSINUMPKXOU-GFCCVEGCSA-N	305.403	1.199	50	20	DDGD	
COc1ccc(CN(C)C(=O)NNC(=O)c2cn[nH]c2)cc1C	858704319	HNXGMNFQINJNST-UHFFFAOYSA-N	317.349	1.213	50	20	DDGD	
COc1cccc(OC)c1CC(=O)NNC(=O)c1ccncc1	756900135	ATYSMCCYHMTPPL-UHFFFAOYSA-N	315.329	1.103	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)CN1CCc2ccccc21)C1CC1	855101896	CXHLPNYVORTFKG-NSHDSACASA-N	318.446	1.343	50	20	DDGD	
O=C(COC(=O)[C@H]1C[C@@H]1C1CC1)NNC(=O)c1cccs1	751747794	UHJSDGGHCGXNMM-ZJUUUORDSA-N	308.359	1.098	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H](OC)c1cccc(OC)c1	854186291	WUDKEKVJNHODMS-LBPRGKRZSA-N	309.391	1.064	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cccc(C#N)c1)C1CCCC1	756488852	XOCPNZUYRVHZEU-UHFFFAOYSA-N	300.362	1.194	50	20	DDGD	
CSCC(C)(C)NCC(=O)NNC(=O)c1ccc(C)cc1	934672441	KVZBMPNEGHOLJJ-UHFFFAOYSA-N	309.435	1.487	50	20	DDGD	
COc1cc(OC)c(NCc2ccccc2B(O)O)cc1Cl	864017757	BTNWDUWUUWQLSP-UHFFFAOYSA-N	321.569	1.649	50	20	DDGD	
Cc1c(Cl)cccc1NC(=O)NNC(=O)[C@H]1CCC(=O)N1	860233402	NYMKZZFFIPRLKS-SNVBAGLBSA-N	310.741	1.080	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)c1c(C)nc2ccccn12	864603525	AFVPJWUAZQJWDD-UHFFFAOYSA-N	304.350	1.219	50	20	DDGD	
NC(=O)N1CCC[C@H](C(=O)NNc2ccc(F)c(Cl)c2)C1	863078540	GOXPHVNQCAOXGF-QMMMGPOBSA-N	314.748	1.713	50	20	DDGD	
COCCN(CC(F)F)S(=O)(=O)CC(C)(C)CCl	866702149	VYLWUQYGPCTJEY-UHFFFAOYSA-N	307.790	1.795	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2nocc2C)cc1	868430179	NJOZOTQZZSKESW-UHFFFAOYSA-N	303.318	1.385	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NC[C@@H]1CCCCN1C1CC1	764842383	SEPBLFIARXZHGS-ZDUSSCGKSA-N	310.442	1.770	50	20	DDGD	
C[C@H](NNC(=O)c1cccc(-c2nc(=O)o[nH]2)c1)C(F)(F)F	862322662	KQSMXBFEYMXYON-LURJTMIESA-N	316.239	1.215	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(C2CC2)C1	768247671	TZWHRBLMEJOASK-SECBINFHSA-N	304.306	1.049	50	20	DDGD	
COC(=O)c1cc(C(=O)OC[C@H](C)CBr)n(C)n1	869823117	LFUURJHXUCPFBH-SSDOTTSWSA-N	319.155	1.395	50	20	DDGD	
COc1ccc(OCC(=O)NN=C2CCN3CCC[C@H]23)cc1	765558307	XMRPLEOMFMWUFR-OAHLLOKOSA-N	303.362	1.414	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccnc1)c1cccc(F)c1	763196314	TVKFAVPJBDGCMV-UHFFFAOYSA-N	314.320	1.491	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H](C)Cn2ccc(C)n2)c1	869385976	VTBBDNWFTYQYCI-SNVBAGLBSA-N	306.391	1.659	50	20	DDGD	
CC(C)(C(N)=O)C(=O)NNC(=S)Nc1cccc(Cl)c1	873787074	RZUXDKYCSBPTIH-UHFFFAOYSA-N	314.798	1.169	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NN=Cc1cnc(N)nc1	773102749	IXICYSPJTSPDFC-VIFPVBQESA-N	319.752	1.630	50	20	DDGD	
Cc1cc(C)cc(OCCNC(=O)NNC(=O)c2cn[nH]c2)c1	1118804556	NMZDNMARJBLTOE-UHFFFAOYSA-N	317.349	1.050	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(N2CCCC2=O)c(F)c1	878721757	YOEBKFQCLQNKHM-UHFFFAOYSA-N	324.312	1.687	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)COCCOC)[C@H](C)C1	872401492	XGBWBWFWZBSDKG-VXGBXAGGSA-N	314.382	1.121	50	20	DDGD	
CC#CCCNC(=O)NNC(=O)CSc1ccc(C)cc1	776204969	HXYZODCEQZNRTE-UHFFFAOYSA-N	305.403	1.831	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)[C@@H](CC)CO)cc1OC	779725184	PQVJGEAXEQZKDX-NSHDSACASA-N	324.377	1.264	50	20	DDGD	
COCCOCC(=O)NN=Cc1c(C)nc2sc(C)cn12	872403424	NOPHGQZDBNRDMQ-UHFFFAOYSA-N	310.379	1.126	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@H]1C=NNC(=O)Cc1cc[nH]n1	872378177	XEKIEAMCZRVBIJ-SMDDNHRTSA-N	316.365	1.048	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NOC1CCOCC1	773523389	KXEBIIWPBYCQQO-UHFFFAOYSA-N	308.338	1.441	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=S)Nc1cccc(F)c1F	1118257326	DTQMLCOTBKNTTJ-YUMQZZPRSA-N	315.345	1.707	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(N2CCCCC2)nc1	878246738	RIXFWPMPRBDVHG-UHFFFAOYSA-N	307.354	1.807	50	20	DDGD	
COc1cccc(NNC(=O)CCc2cccc3c2OCO3)n1	771450928	NRKHQXMFHROFBE-UHFFFAOYSA-N	315.329	1.895	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](CC)Cc1ccccc1	772116116	RIKYXMCPLLTZKL-GXTWGEPZSA-N	320.389	1.744	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccc3cccnn23)cc1	777791848	SKDQQSHAQOVTQP-UHFFFAOYSA-N	308.341	1.972	50	20	DDGD	
COc1ncnc(N(C)C)c1NC(=O)NNc1ccccn1	779069226	IXEROFIUMQBNGE-UHFFFAOYSA-N	303.326	1.095	50	20	DDGD	
COC[C@@H](NS(=O)(=O)CCCCl)c1cccc(OC)c1	882393893	JIGCSBNYMCJMTA-CYBMUJFWSA-N	321.826	1.931	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@H](C)[C@H]2C)c1	777592524	VVEVSWJTGWWEKB-UONOGXRCSA-N	303.406	1.876	50	20	DDGD	
COC[C@H]1COCCN1C(=O)[C@H](Br)C(C)(C)C	886866080	BJVRTDRIDJRNOK-UWVGGRQHSA-N	308.216	1.670	50	20	DDGD	
O=C(NNc1ccncn1)NC1CCN(c2ccncc2)CC1	1122388498	DEXFDLULHLCVCC-UHFFFAOYSA-N	313.365	1.167	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@H]1COc2ccccc2O1	887149349	STVCXNRIFGRHEU-LBPRGKRZSA-N	302.330	1.167	50	20	DDGD	
COCCc1ccccc1NC(=O)NNC(=O)c1ccccn1	786195073	WPILTVKGXBYYSH-UHFFFAOYSA-N	314.345	1.737	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CNc1ccccc1)c1cccnc1	781417277	XPCXBBHDFZAMFG-UHFFFAOYSA-N	312.373	1.619	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Nc1ccsc1C	880399437	NSIUBLAZVVQXNF-UHFFFAOYSA-N	315.395	1.998	50	20	DDGD	
CCn1cc(C=NNC(=O)C(C)(C)O)c(-c2ccccc2)n1	884452052	HHSZOTCWDMARQB-UHFFFAOYSA-N	300.362	1.791	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCC(=O)c1ccc(C)s1	887139276	IHSOZNKLAHZFIU-UHFFFAOYSA-N	306.387	1.970	50	20	DDGD	
COc1cc(C(C)=NNC(=O)C(C)(C)O)ccc1OC(F)F	785465558	ILZYJDCAANAEFO-UHFFFAOYSA-N	316.304	1.908	50	20	DDGD	
C[C@@H](C(=O)NNc1c(F)cc(F)cc1F)N1CCSCC1	885151904	QLWSBHSCIXEQQX-QMMMGPOBSA-N	319.352	1.984	50	20	DDGD	
O=C(NNc1ccc(F)cc1Cl)[C@@H]1CCS(=O)(=O)C1	885135402	CFQHZZDXBVYFOF-SSDOTTSWSA-N	306.746	1.357	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1	780706803	UEQNTSYUDPYIIH-UHFFFAOYSA-N	321.377	1.948	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)CC[C@H](C)OC)c1	782192368	OOSKVLQOVHKMFP-JTQLQIEISA-N	310.350	1.280	50	20	DDGD	
O=C(O)C1(NS(=O)(=O)CBr)CCCCCC1	390115811	CIENXZXMBMAPLQ-UHFFFAOYSA-N	314.201	1.436	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc2c(c1)OC(F)(F)O2	782550567	PVOJDFPUGSIPDB-UHFFFAOYSA-N	301.249	1.817	50	20	DDGD	
Cc1nc(CCNC(=O)NNc2ncncc2Cl)cs1	780961723	LOJKNSMUMZPBAY-UHFFFAOYSA-N	312.786	1.764	50	20	DDGD	
CC[C@H]1C[C@H](CC(=O)NNC(=O)NCC(F)(F)F)CCO1	781680907	UCSZXLWQYCMVCD-BDAKNGLRSA-N	311.304	1.474	50	20	DDGD	
C#CCN1CCC[C@H](NC(=O)NNc2cc(F)ccc2C)C1	890362235	AQELYRBXHWRKHM-AWEZNQCLSA-N	304.369	1.858	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1CCCc2cccnc21	799107386	CTJKWNDFCVWXBK-ZDUSSCGKSA-N	316.405	1.207	50	20	DDGD	
O=C(CCOCC(F)F)NNC(=O)Cc1ccc(Cl)cc1	790122736	BWXQOJFLUHBCEO-UHFFFAOYSA-N	320.723	1.702	50	20	DDGD	
CC(C)CC(=NNC(=O)N1CCN(C)CC1)c1ccccn1	790181984	QUFKFPYUMKUWLQ-UHFFFAOYSA-N	303.410	1.789	50	20	DDGD	
CCn1ncnc1CNC(=O)NNC(=O)Nc1ccccc1C	793273266	STWYMORSQDCPRF-UHFFFAOYSA-N	317.353	1.142	50	20	DDGD	
COc1c(C(=O)NNc2nc(C)cc(C)n2)cccc1[N+](=O)[O-]	792931075	GEDBDALOMFVDIQ-UHFFFAOYSA-N	317.305	1.767	50	20	DDGD	
O=C(NNC(=O)c1[nH]nnc1-c1ccccc1)NC1CCCC1	797715275	MPTLRYXWGIAULY-UHFFFAOYSA-N	314.349	1.358	50	20	DDGD	
CCNC(=O)NNC(=O)C(C)(C)Cc1nc2ccccc2[nH]1	798931183	IVCRKTGJYZOZQP-UHFFFAOYSA-N	303.366	1.482	50	20	DDGD	
C=C(CBr)COC(=O)[C@@]12CCC(=O)N1CCS2	795393317	KAHZLGFYTZSISB-NSHDSACASA-N	320.208	1.546	50	20	DDGD	
COCC(=O)NN=Cc1cnc(NC(=O)OC(C)(C)C)s1	799881038	KUKSAOQONLNBJM-UHFFFAOYSA-N	314.367	1.587	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(-c2nnc(C)o2)cc1	798306495	JPGDRILXRQCZKW-UHFFFAOYSA-N	317.374	1.340	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1ccnn1-c1ccc(F)cc1	794957475	DPTYIAYNCRJPGG-NTEUORMPSA-N	320.349	1.767	50	20	DDGD	
CC(C)(C(=O)NNC(=O)COc1ccccc1F)C(F)F	792018133	RACRTTDWXUMQBS-UHFFFAOYSA-N	304.268	1.643	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2CC(=O)c3ccccc32)n1	794080804	RHWNVFMGSPLSSZ-ZDUSSCGKSA-N	309.325	1.521	50	20	DDGD	
CON(CC(=O)NNC(=O)C(C)(C)C)C[C@@H]1C[C@H]2CC[C@H]1C2	795217682	DHQNPUALMIWFER-AVGNSLFASA-N	311.426	1.480	50	20	DDGD	
O=C(NNC(=O)c1ccc(-n2ccnc2)nc1)c1ccccc1	1087096154	JYSVPKZSIZHFQF-UHFFFAOYSA-N	307.313	1.342	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNC(=O)c1ccccc1Cl	1324567507	YOGLMUOQZRVXSI-UHFFFAOYSA-N	312.753	1.690	50	20	DDGD	
CC(C)c1noc(CCNC(=O)NNC(=O)CC(F)(F)F)n1	1322648196	HGPRWSVDLULSTG-UHFFFAOYSA-N	323.275	1.018	50	20	DDGD	
COC(=O)C(=O)NN=C1c2ccccc2CC12CCOCC2	1322407213	GTHLBFRTPBTFQP-UHFFFAOYSA-N	302.330	1.033	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cc2c(cc1Cl)NC(=O)C2	1324616108	IWYUWYURZYDPRR-UHFFFAOYSA-N	307.737	1.396	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@]1(F)CCOC1	1328862633	FYCAOKMTFMWJCQ-ZZTCSTBXSA-N	324.396	1.869	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)Nc2cc(C(C)C)on2)n1	1338276484	KTCYAHWDJNGTOW-UHFFFAOYSA-N	318.337	1.287	50	20	DDGD	
CSSCCNC(=O)c1ncc(C(N)=O)cc1Cl	1257267629	HNLBXWHBYQJUSX-UHFFFAOYSA-N	305.812	1.575	50	20	DDGD	
C=C/C=C\CCNC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1331794986	GPWOUFYTZKOKLX-GQUPLCJFSA-N	315.211	1.525	50	20	DDGD	
C[S@@](=O)c1ccc(C=NNC(=O)CNc2ccccc2)cc1	1339941903	NKMIFUFOGPVRKT-JOCHJYFZSA-N	315.398	1.986	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1Cc2cccc(Cl)c2C1	1341397788	SPJLQZYBPWCUNJ-KOLCDFICSA-N	323.780	1.821	50	20	DDGD	
COc1c[nH]c(C(=O)NC[C@@]2(C)C[C@@H]2Br)cc1=O	1347123188	PDYZFOYEWNNOGW-CMPLNLGQSA-N	315.167	1.287	50	20	DDGD	
O=C(NCCO[C@@H]1CCOC1)NNc1cc(Cl)ccn1	1358052166	MVFGTLTXMDNPRI-SNVBAGLBSA-N	300.746	1.167	50	20	DDGD	
C[C@H](NC(=O)C1CCC(Cl)CC1)C1(S(C)(=O)=O)CC1	1521576344	RXNVUOBNNJKNCT-WHXUTIOJSA-N	307.843	1.866	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cc3ccccc3nc2O)nc1	1602383730	ZJHZFMLHRIIGKE-UHFFFAOYSA-N	324.296	1.791	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@]12CC[C@H](CC1=O)C2(C)C	1527400073	NAJYSAICPIZQHN-HWPZZCPQSA-N	303.362	1.182	50	20	DDGD	
O=C(O)/C=C\c1ccc(C(=O)NNC(=S)NCC2CCC2)o1	1608657505	FTBQJNGYRRJXIC-ALCCZGGFSA-N	323.374	1.286	50	20	DDGD	
COc1ccc2nc(NNC(=O)C3(C(=O)O)CC3)c(C)cc2c1	1607302682	LWFAMJBCGKMPTD-UHFFFAOYSA-N	315.329	1.860	50	20	DDGD	
O=C(O)CCCCC(=O)NNC(=O)CCc1ccccc1O	1601982382	XFJAAJIVFPDNMU-UHFFFAOYSA-N	308.334	1.117	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@H](C(=O)O)c2ccsc2)cn1	1600945578	HQLUBHGGKOQASL-QNCMIEPLSA-N	316.342	1.331	50	20	DDGD	
N#C[C@]1(C(=O)NNc2ccc(C(=O)O)cn2)CC2CCC1CC2	1601050712	HITHNWHJPWYSLI-GURQAQJRSA-N	314.345	1.943	50	20	DDGD	
O=C(CCc1ocnc1C(=O)O)NNc1ccc(F)cc1F	1601297342	VWOGXKDNXLRJBU-UHFFFAOYSA-N	311.244	1.727	50	20	DDGD	
Cc1cc(Br)c2c(c1)C(=NNC(=O)C(=O)O)CO2	1600071373	URXPPIQMAJDPNM-UHFFFAOYSA-N	313.107	1.055	50	20	DDGD	
O=C(CNc1ccccc1Cl)NNc1ccc(C(=O)O)cn1	1608343633	XHTZXCJSJMKIQA-UHFFFAOYSA-N	320.736	1.988	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cc3c(cn2)OCCC3)nc1	1610835643	CQWBUPUOIOHKCB-UHFFFAOYSA-N	314.301	1.257	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C(=O)NN=Cc1cc[nH]c1	1549313556	ZTXKUUMPUGDLDX-QWHCGFSZSA-N	301.350	1.366	50	20	DDGD	
COC(=O)C1(NS(=O)(=O)CBr)CCCCC1	227978281	BOOWVHFAAHRNKF-UHFFFAOYSA-N	314.201	1.134	50	20	DDGD	
CCc1cccc(F)c1C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549318607	CNBMNRORZAYQIP-BBRMVZONSA-N	319.380	1.701	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@](C)(CN)CC(C)C)cc1	1579189574	DKKNSQQPENZERQ-MRXNPFEDSA-N	307.394	1.467	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNc2ncccc2C(=O)O)ccn1	1573555085	YYJFOJJGSHAXMB-UHFFFAOYSA-N	316.317	1.719	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@@H]1CNc2ccccc2C1	1580737099	KJDAUTGPTAUUGV-AWEZNQCLSA-N	310.357	1.667	50	20	DDGD	
CC[C@H](C)[C@@H](N)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843362922	KKKNQITTZUDZPU-HBNTYKKESA-N	319.808	1.098	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCOC	1847866768	JVSQZYDYGQRYBS-AVGNSLFASA-N	316.829	1.632	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](O)C(C)C)C2	1845162818	PKASQSVFGWAAMQ-RYUDHWBXSA-N	316.829	1.224	50	20	DDGD	
CC(CCC(=O)O)=NNC(=O)COc1ccccc1[N+](=O)[O-]	1592470350	KEFRHKJEYFBMLO-UHFFFAOYSA-N	309.278	1.331	50	20	DDGD	
CC1(C)CC(=NNC(=O)NCC(=O)O)c2ccc(O)cc2O1	1593842019	GFWNLLRSLMUAHM-UHFFFAOYSA-N	307.306	1.041	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1ccnc(-n2cccn2)c1	1594781105	GQEBSAPLKHQDQN-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
CC(C)(C)n1cnc(C(=O)NNc2ccc(CC(=O)O)cc2)n1	1590603080	NNYRHTXTSNEGRB-UHFFFAOYSA-N	317.349	1.417	50	20	DDGD	
CCOc1ccc(NNC(=O)Nc2ccn(CC(=O)O)n2)cc1	1592705138	LRQQFIDNDWQTTM-UHFFFAOYSA-N	319.321	1.515	50	20	DDGD	
C[C@H](CBr)CN1CC[C@]2(CC(C(=O)O)=NO2)C1	1592212089	PGJKKLRJLPUFMX-KCJUWKMLSA-N	305.172	1.323	50	20	DDGD	
COCCCS(=O)(=O)/C(C#N)=C/c1csc(C(=O)O)c1	1777207210	ZMYQBNVBVHWIRX-BJMVGYQFSA-N	315.372	1.762	50	20	DDGD	
CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Cl)C1	1778022265	CMLRCEIGTXJLGC-MPKXVKKWSA-N	320.792	1.445	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1ccc(C(=O)O)c(F)c1	1776029409	OGNWOJOAALXDDC-UHFFFAOYSA-N	322.321	1.635	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCCc1ccc(OC)c(OC)c1	158547553	GMZNQPHHICZWER-QBFSEMIESA-N	304.346	1.806	50	20	DDGD	
CNC(=O)/C(C#N)=C/c1cc(Br)c(O)c(OC)c1	7209757	BAHIMLUNTYALHS-FPYGCLRLSA-N	311.135	1.816	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)Sc2ccccn2)o1	152540375	SPMOJNAQVNJVDU-JTQLQIEISA-N	305.359	1.925	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cc(C2CCCCC2)n[nH]1	153361253	AVLCYODCRJSLIN-ZDUSSCGKSA-N	306.366	1.397	50	20	DDGD	
O=C(NNc1cnccn1)c1cc(-c2ccc3c(c2)CCO3)no1	156310781	CKJUVQGTUGYPHI-UHFFFAOYSA-N	323.312	1.823	50	20	DDGD	
CCCNC(=S)NNC(=O)c1cc(-c2cccs2)n[nH]1	155488448	UOVNTBMWFGJJRZ-UHFFFAOYSA-N	309.420	1.657	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)Cc1ccccc1OC	154871789	YRKZVZZUIQYECE-UHFFFAOYSA-N	303.362	1.372	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc(C2OCCO2)cc1	854162515	LOWGYLITMJNRBI-UHFFFAOYSA-N	308.334	1.902	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)CCl)CCO1	1324706467	JZZOZCHMGAVBQJ-NXEZZACHSA-N	306.790	1.366	50	20	DDGD	
CCOCCCC(=O)NNC(=O)Cn1ccc2ccccc21	104631660	DMCKNYPDMMKEMA-UHFFFAOYSA-N	303.362	1.605	50	20	DDGD	
O=C(CCCn1ccnc1)NNC(=O)c1ccc2ccccc2n1	104195950	DXFJIWVDAQRXSJ-UHFFFAOYSA-N	323.356	1.673	50	20	DDGD	
O=C(NCc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccccc1	57006049	OUGLVNRPTVDBMC-UHFFFAOYSA-N	314.301	1.739	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1cc(F)c(F)cc1F	172091709	HHAXHCHTEVCADM-UHFFFAOYSA-N	305.256	1.683	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C(C)(C)C)C(=O)Nc1ccccc1	112112158	NZPBZSPGEJLGJD-SNVBAGLBSA-N	306.366	1.390	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2COc3ccccc3C2)n1	174473853	JCLKJHGIIDPTGS-LBPRGKRZSA-N	314.345	1.488	50	20	DDGD	
Cc1[nH]c(-c2ccccn2)n/c(=N\NC(=O)[C@@H]2CCCO2)c1C	114891203	MEYHSEIATHJDIT-ZDUSSCGKSA-N	313.361	1.199	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)c1ccc2nncn2c1	115718729	VHVICGOQYUQJSY-UHFFFAOYSA-N	307.235	1.904	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)CC1CCOCC1	117233203	AJJGWXFWPRCQPU-UHFFFAOYSA-N	316.361	1.220	50	20	DDGD	
O=C(CN1CCSC[C@@H]1c1ccccc1)NNC(=O)C1CC1	115560990	KEBJVJXXDKEXFN-CQSZACIVSA-N	319.430	1.334	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cc[nH]c2)ccc1OC(C)C	68230280	AKVFHQRHRRHNRI-UHFFFAOYSA-N	317.345	1.885	50	20	DDGD	
CC(C)CC[C@@H]1CCC[C@H]1NC(=O)NNC(=O)C(=O)NC1CC1	69883213	FZZKWUNZDWLDHV-WCQYABFASA-N	324.425	1.200	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)Cc2ccoc2)c1	119012302	UNEXKMFBMWUBCP-UHFFFAOYSA-N	302.330	1.665	50	20	DDGD	
CC(=O)c1cccc(NC(=O)NNC(=O)c2cnn(C)c2)c1	117952088	IVVGJXKROILIEL-UHFFFAOYSA-N	301.306	1.089	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(OC)cc1C(=O)OC	63442059	ZZSFVPRUKSXRJA-KTKRTIGZSA-N	304.302	1.864	50	20	DDGD	
CC(C)(C)[S@@](=O)CCNC(=O)NNc1cc(Cl)ccn1	181131652	ADRCUYXIBZWEEZ-FQEVSTJZSA-N	318.830	1.908	50	20	DDGD	
NC(=O)[C@@H]1CC[C@@H](C(=O)NNc2cccc(C(F)(F)F)c2)O1	189331805	XZFYDKLIUZLJTC-UWVGGRQHSA-N	317.267	1.181	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(C)CCC1CCOCC1	120555143	MMVPPHXHSRVGHS-ZDUSSCGKSA-N	313.442	1.317	50	20	DDGD	
COc1cccc(SCC(=O)NNC(=O)c2cccn2C)c1	120284479	MCVKSVRNJMHVEH-UHFFFAOYSA-N	319.386	1.587	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc2cccc(OC)c2o1	120736331	DJPRYRIHZRLXQC-UHFFFAOYSA-N	305.359	1.736	50	20	DDGD	
CC(C)OCCNC(=O)NNC(=O)c1cc2ccccc2o1	183658737	BWZQRBYJRIBDAI-UHFFFAOYSA-N	305.334	1.802	50	20	DDGD	
O=C(Cc1ccc(Br)cc1)NNc1ncccn1	123927895	JOOWTKLBXDWURL-UHFFFAOYSA-N	307.151	1.925	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2ccc(F)cn2)c1	181453545	RDZLDQSGVBZHBO-UHFFFAOYSA-N	302.309	1.362	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NC[C@H]1CC(=O)N(C2CC2)C1	185639416	GVHJUSVKTZSNAD-LLVKDONJSA-N	320.368	1.771	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1F)N(C)C	122409625	QPJRVXRZPBMTLM-NSHDSACASA-N	301.749	1.580	50	20	DDGD	
CC[C@H](C)[C@H](C)C(=O)NNC(=O)CNc1ccccc1OC	182973254	ZGZZOZLDXNHHNX-RYUDHWBXSA-N	307.394	1.937	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1	187325908	NHFZOMZAGITTKO-SNVBAGLBSA-N	320.267	1.386	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1cccc(OCCF)c1	186623236	HHOMTXQKNIJEQG-UHFFFAOYSA-N	318.308	1.896	50	20	DDGD	
CSC[C@@H](C)NC(=O)NNC(=O)c1cccc(N(C)C)c1	77799180	RCDRTQUIJLUKIG-SNVBAGLBSA-N	310.423	1.448	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2ccccc2[N+](=O)[O-])n1	45625519	AIRTUTKYIZDQBK-UHFFFAOYSA-N	316.321	1.828	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc(-c2cccc(F)c2)no1	139315778	ZNJIDKYWKPMTEW-UHFFFAOYSA-N	318.308	1.835	50	20	DDGD	
COc1ccc(C(=O)NNc2cnccn2)c(OC(F)F)c1	191045972	BBYVOJGFNRENRY-UHFFFAOYSA-N	310.260	1.844	50	20	DDGD	
COCCO[C@@H]1CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C1	194887186	CAVNSYZAMPMTSS-SCOADAFUSA-N	316.357	1.563	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C[C@H](C)C2CC2)c1	142143661	QXJBTXGKFQWKJQ-JTQLQIEISA-N	306.362	1.901	50	20	DDGD	
C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)NNC(=O)c1ccc[nH]1	249779627	OWQLKXGYWBAOCY-UPJWGTAASA-N	321.425	1.325	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1c(F)cncc1F	1352230276	PCDSJFMBWQGGBV-UHFFFAOYSA-N	300.334	1.269	50	20	DDGD	
CCC(=O)N1CC[C@@H](NC(=O)NNc2ccc(Cl)nc2)C1	268512252	DMKZDKXQXIGRSD-SNVBAGLBSA-N	311.773	1.372	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1	266381342	HGIAOMXEQLXVBF-JTQLQIEISA-N	308.338	1.304	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1sc(-c2ncccn2)nc1C	272678747	MVLSOJNQDVICII-UHFFFAOYSA-N	320.378	1.215	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)COc1ccccc1F	273514705	QQYHRGNENLVXCJ-UHFFFAOYSA-N	312.341	1.415	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCc2nc(C(C)C)no2)n1	279901261	ZSCNBLFHZLPTHN-UHFFFAOYSA-N	317.349	1.290	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1cccc(F)c1C	272583127	MOLKHPVUMPYSPB-JTQLQIEISA-N	313.329	1.338	50	20	DDGD	
O=C1CCC[C@H](C(=O)NNc2ccccc2Br)N1	270524895	NJSXXJCBMWUFJP-SNVBAGLBSA-N	312.167	1.561	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	272822496	OSRGBNDDLQVZCY-UHFFFAOYSA-N	306.343	1.302	50	20	DDGD	
Cn1cc([C@H]2OCC[C@@H]2C(=O)NNc2nccnc2Cl)cn1	275540075	MOZTXIBRHCEAKB-VHSXEESVSA-N	322.756	1.084	50	20	DDGD	
CN(C)CCc1ccc(CNC(=O)NNc2ncccn2)cc1	276129467	INUXEYGYXUZZBG-UHFFFAOYSA-N	314.393	1.407	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(C(C)=O)C2(CCCCC2)C1	270928277	VUPNCBVCPPBWFR-NTCAYCPXSA-N	319.405	1.824	50	20	DDGD	
Cc1coc2ccc(NC(=O)C(=O)NNC(=O)C3CCC3)cc12	274826906	RALNOQQGGWKOQZ-UHFFFAOYSA-N	315.329	1.627	50	20	DDGD	
COC(=O)c1cc(OC(=O)[C@@H]2C[C@@]23CCOC3)ccc1[N+](=O)[O-]	373406307	ISNXHOFKUJGTBZ-XHDPSFHLSA-N	321.285	1.713	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(S(C)(=O)=O)cc(C)c1C	286343459	MEHNDRZRYJMRED-UHFFFAOYSA-N	314.363	1.050	50	20	DDGD	
Cc1cnc([C@@H](C)NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)s1	297846852	HIASVSCIQWMMMT-SFGNSQDASA-N	312.395	1.410	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@H](C)N(C)c1ccccc1	298653830	KNZUEEWFNCSSHE-CYBMUJFWSA-N	306.410	1.888	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNc2ccc(Cl)nn2)cn1	806882067	NKSMCTJFSKWIBV-UHFFFAOYSA-N	306.757	1.974	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1nc(C(C)C)oc1C	803912026	FJQVUMIHSFUROY-VIFPVBQESA-N	311.338	1.209	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cnccc1C#N)c1ccccc1	805181500	VRAOMKAOUGAFAP-CQSZACIVSA-N	308.341	1.908	50	20	DDGD	
N#CCCCC(=O)NNC(=O)c1ccc(Br)s1	290952207	MFEBSPJEWRYFHH-UHFFFAOYSA-N	316.180	1.965	50	20	DDGD	
O=C(CCn1ccnc1)NNC(=O)Nc1ccc(Cl)cc1	802017725	YCMKTFJUYLPPSG-UHFFFAOYSA-N	307.741	1.780	50	20	DDGD	
Cn1ccnc(NNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)c1=O	806998099	QWIZUDQSHQYWJR-YNEHKIRRSA-N	304.394	1.830	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802122414	OESYXZPYVJNTDO-GFCCVEGCSA-N	320.393	1.887	50	20	DDGD	
CC(=O)NCC[C@H]1CCCN(C(=O)NNC(=O)C2CCCC2)C1	808296639	SREUPAWAENCTMD-CYBMUJFWSA-N	324.425	1.156	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc(N2CCOC2=O)cc1	298386654	CURGBLNNWGZBFR-UHFFFAOYSA-N	321.333	1.813	50	20	DDGD	
CCc1csc(CC(=O)NNC(=O)c2cccc(C#N)c2)n1	801151466	NFAXWTCPCQLEOI-UHFFFAOYSA-N	314.370	1.581	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H](C)Sc2nncn2C)cc1	294473463	VSSJMFSSBFOMLX-SNVBAGLBSA-N	321.406	1.838	50	20	DDGD	
CCC[C@@H]1CCC[C@H]1C(=O)NNC(=O)Cn1nc(C)cc1C	294183325	AOKAGZHJYGAFQO-ZIAGYGMSSA-N	306.410	1.864	50	20	DDGD	
O=C(CNC(=O)NC1CCCCC1)NNc1cccc(F)n1	804771421	WWJKMECCMPMUNQ-UHFFFAOYSA-N	309.345	1.296	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)C(=O)c1ccc(O)cc1	807012897	XZUNNJRVKKQUSI-UHFFFAOYSA-N	324.292	1.782	50	20	DDGD	
C[C@H](CNC(=O)NNc1ccc(-n2ccnc2)nn1)C(C)(C)C	805121772	UMRQHFQAWDHMJI-LLVKDONJSA-N	317.397	1.971	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)[C@@H]2CCCO2)sc1Cl	292200744	ZULZWFYZXUKTMZ-ZETCQYMHSA-N	324.811	1.198	50	20	DDGD	
O=C(NCCCN1CCCCCC1=O)NNc1cccc(F)n1	804860729	OSCJCKCZVBXWIP-UHFFFAOYSA-N	323.372	1.640	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CCOc1cccc(C(N)=O)c1	808246651	HIBFXXDSBVLGPS-UHFFFAOYSA-N	319.188	1.817	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H]1CCN(c2ccccc2F)C1	810585451	UYTWZDOYAPJFNG-LBPRGKRZSA-N	322.384	1.783	50	20	DDGD	
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NNc1nc[nH]n1	816634046	WUVSELRRVZVNPA-GFCCVEGCSA-N	300.322	1.223	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ncncc1F)Oc1ccccc1	814300123	GODDXEFFOSLQRX-JTQLQIEISA-N	305.313	1.709	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CC1CC1)c1ccc(S(C)(=O)=O)cc1	819131927	REXQZSHRECKTIG-JTQLQIEISA-N	324.402	1.141	50	20	DDGD	
CN(NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)c1ccccc1	810392641	CQPCSVNBPIIOLC-UHFFFAOYSA-N	312.304	1.803	50	20	DDGD	
CC(Cn1cccn1)=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1	814766426	JHCCIONQAYWMIC-YUELXQCFSA-N	321.425	1.121	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1ccc(C)nc1C	814869051	BCBYDYYKHHYFHV-UHFFFAOYSA-N	311.345	1.572	50	20	DDGD	
Cc1cnn(-c2ccc(C(=O)NNc3ncncc3F)cc2)c1	817077232	CRZACGDTMIDDRK-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
Cc1ccc(C)c(N2N=C(C(=O)NN(C)C3CC3)CCC2=O)c1	819640954	IHTSEHPECQPGHV-UHFFFAOYSA-N	314.389	1.912	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)COc2ccccc2F)c(C)o1	814209788	FKNCNXZUZUXBMG-UHFFFAOYSA-N	307.281	1.271	50	20	DDGD	
O=C(CCc1ccccc1O)NN=Cc1cccc(O)c1O	729934923	FCRPCVQQXIJIOH-UHFFFAOYSA-N	300.314	1.886	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=C1CCS[C@@H]1C	814766357	IHVSUBDEQIFTRI-UMSGYPCISA-N	313.467	1.729	50	20	DDGD	
O=C(O)CSCC(=O)NNC(=O)c1cc2ccccc2o1	819539812	VJUCIRWESDICLM-UHFFFAOYSA-N	308.315	1.012	50	20	DDGD	
Cc1cc(C(=O)NNc2cnnn2C)c(C)n1-c1nccs1	816769467	JURMKLIVQKRMQO-UHFFFAOYSA-N	317.378	1.436	50	20	DDGD	
COCC(C)(C)CNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	813840438	OOJKVZGCPUYSRE-UHFFFAOYSA-N	324.337	1.211	50	20	DDGD	
CCN(CCO)NC(=O)c1ccccc1NC(=O)NC(C)C	823838970	ZZDNEROOFBGHLA-UHFFFAOYSA-N	308.382	1.176	50	20	DDGD	
COc1ccccc1C[C@H](C)N(C)CC(=O)NNC(=O)C(C)C	827905491	JJECGQZUWRGYAJ-ZDUSSCGKSA-N	321.421	1.361	50	20	DDGD	
CC(C)C(=O)N1CCC(C(=O)NNC(=O)OC(C)(C)C)CC1	490555893	KDYQWYWINSDGHW-UHFFFAOYSA-N	313.398	1.437	50	20	DDGD	
O=C(NNC(=O)c1cccnc1S)c1cc(Cl)ccc1O	823339192	QIVWTTZNFODWBH-UHFFFAOYSA-N	323.761	1.804	50	20	DDGD	
O=C(CCSc1ccc(F)cc1)NNC(=O)c1cocn1	729299686	SYDMXCDJLYZDDQ-UHFFFAOYSA-N	309.322	1.757	50	20	DDGD	
CCOC(=O)NNC(=O)CCCCOc1cccc(C#N)c1	491341718	JJICUTXUGRZXTA-UHFFFAOYSA-N	305.334	1.885	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cnc(OCc2ccccc2)cn1	495764358	WCQNBQOCXDGTFV-UHFFFAOYSA-N	316.317	1.399	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)C(C)C)c1ccc(OC)cc1	828629588	RBYSINCGAWXFKN-AWEZNQCLSA-N	307.394	1.539	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl	823951664	MFQVEVFUMGJUHY-MRVPVSSYSA-N	301.730	1.135	50	20	DDGD	
C[C@H](C=NNC(=O)c1cnn(C)c1)CNC(=O)OC(C)(C)C	496007384	ZDIUIBIBPXCJAO-JTQLQIEISA-N	309.370	1.297	50	20	DDGD	
CC[C@H](CO)C(=O)NNC(=S)Nc1ccc(OC)c(F)c1	822649410	ZUQNRYPLUFODIE-MRVPVSSYSA-N	315.370	1.170	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc2c(c1)OC(F)(F)O2	494660275	VFXLHMNRWPQCNX-UHFFFAOYSA-N	303.221	1.791	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc2c(c1)nc(O)n2CC1CC1	823384284	HKGPZUHUVFQSDV-SNVBAGLBSA-N	318.377	1.109	50	20	DDGD	
CCN(CCO)NC(=O)c1scc(C)c1Br	823879258	JQYHOFBSSAEMIF-UHFFFAOYSA-N	307.213	1.778	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)Cc1cc(Cl)ccc1F	496622318	ITFHPPUYMBWYIJ-UHFFFAOYSA-N	310.734	1.512	50	20	DDGD	
COc1ccn2c(C(=O)NNC(=O)CC3CCCC3)cnc2c1	824835752	OFXYYQYGYNOVLF-UHFFFAOYSA-N	316.361	1.684	50	20	DDGD	
COCC(COC)OC(=O)/C(C#N)=C\c1cccc(OC)c1	908789764	HQOASOILKJVBDJ-QPEQYQDCSA-N	305.330	1.807	50	20	DDGD	
CC(C)=CCOc1cccc(CC(=O)NN(C)[C@@H](C)CO)c1	823918689	ZTGPFXVYLLRCBM-AWEZNQCLSA-N	306.406	1.918	50	20	DDGD	
COCc1nc(C)c(C(=O)NNC(=O)OC(C)(C)C)s1	494159670	NCMAOSXGFWBABH-UHFFFAOYSA-N	301.368	1.767	50	20	DDGD	
Cc1ccc(C(=O)NNC(=S)NC(C2CC2)C2CC2)c(O)c1	734756235	KLCBPVMQUJUFDJ-UHFFFAOYSA-N	319.430	1.998	50	20	DDGD	
CN1C[C@@H]2CCCN(C(=O)/C(C#N)=C/c3ccc(O)cc3)[C@@H]2C1	491102965	JWDLYMKQKRAKAT-MAJWVTINSA-N	311.385	1.852	50	20	DDGD	
C[C@]1(c2ccccc2)CCCN(C(=O)c2ccc(B(O)O)cc2)C1	584945819	LJSZFFRSJKABRW-IBGZPJMESA-N	323.201	1.560	50	20	DDGD	
Cc1cc(Cl)ccc1OCCCNCc1ccc(B(O)O)o1	585019014	ZDEVPXOFJHMRCO-UHFFFAOYSA-N	323.585	1.480	50	20	DDGD	
CCCc1ccc(C(=O)CCC(=O)N2CC[C@H](B(O)O)C2)cc1	585075991	VPFSYSDBZCVVIK-HNNXBMFYSA-N	317.194	1.677	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)NCCCCCC(=O)O	738892593	KQTWLQLUUKDAIC-UHFFFAOYSA-N	314.367	1.041	50	20	DDGD	
CC(C)C(=O)NNC(=O)NC[C@@H](C)N(C)Cc1ccccc1	732248212	AXYXJAUBHDFHKI-CYBMUJFWSA-N	306.410	1.493	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCSCC(=O)O)c1ccccc1	736846869	ISSFHEITOJWTMU-GFCCVEGCSA-N	324.402	1.536	50	20	DDGD	
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@]1(C)C[C@H]1Br	906973988	WSVKSWJQSXDTKR-QTFBWGAVSA-N	301.228	1.759	50	20	DDGD	
O=C(CCc1ccc(-c2ccccc2)o1)N1CC[C@@H](B(O)O)C1	585074372	LZGPZTHSNVOGAL-CQSZACIVSA-N	313.162	1.955	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CC(C)(C)[C@@H]2c2cnn(C)c2)cn1	491009721	KSJVNXMCZOBAPB-XNISGLLXSA-N	324.388	1.670	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)c1cnn(-c2ccccc2)c1	733082471	VPPTVZKVIYPZON-NSHDSACASA-N	317.418	1.780	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1cc(C)c(Cl)s1	901964077	CBZFHUASDMCJFE-UHFFFAOYSA-N	320.823	1.823	50	20	DDGD	
C[C@]1(C(=O)NC[C@@H](O)CN2CCCCC2)C[C@H]1Br	907067463	GWEMZRPKPWCLAI-WZRBSPASSA-N	319.243	1.123	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21)Nc1ccc(Cl)cc1	908051035	GCQKYVHHASGRDA-MVWJERBFSA-N	307.737	1.718	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=Cc1ccncc1F	834933844	KMZCMRNVNXMPIG-YNEHKIRRSA-N	322.384	1.416	50	20	DDGD	
C[C@]1(C(=O)N2CCC[C@@H](S(C)(=O)=O)C2)C[C@H]1Br	907396711	SYBJYLWUGUIWMF-KKZNHRDASA-N	324.240	1.196	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(S)n1)c1nccs1	732622060	MEOHHNAPXFLKFU-UHFFFAOYSA-N	309.376	1.010	50	20	DDGD	
O=C(NNC(=O)c1cccc(OC(F)F)c1)c1cncc(O)c1	732285548	BGIMABAEAOXMHH-UHFFFAOYSA-N	323.255	1.463	50	20	DDGD	
CC[C@H](C)c1csc(N(C)C(=O)c2cccc(B(O)O)c2)n1	584942319	GDRIGBBLFCVFBB-JTQLQIEISA-N	318.207	1.613	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccc(OC(F)F)cn1	836654983	ZFFIMDZYPAPNGG-UHFFFAOYSA-N	300.265	1.636	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NNC(=O)c1cc(C)nc2ccccc12	730944816	XWDLALGJCORFQN-BENRWUELSA-N	324.340	1.748	50	20	DDGD	
COc1ccc2c(c1)C[C@@H](C)CC2=NNC(=O)CS(C)(=O)=O	905493745	VBDWNWXIVZABOO-SNVBAGLBSA-N	324.402	1.142	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1nn(C)c2c1CCCC2	830609391	GDYRNNNSMKUWDU-UHFFFAOYSA-N	314.393	1.969	50	20	DDGD	
COc1ncccc1C(=O)NNC(=O)Cc1ccc(F)cc1	906496375	QCNSIKBBDPIHIS-UHFFFAOYSA-N	303.293	1.233	50	20	DDGD	
CC[C@H](C)[C@H](C=NNC(=O)[C@H]1COc2ccccc2O1)OC	834917355	AHHLMELNYDBQOX-TUKIKUTGSA-N	306.362	1.990	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)cc1)[C@H](O)c1ccc(Cl)cc1	585024915	HEIKZRUGBUPJND-ZBEGNZNMSA-N	319.597	1.232	50	20	DDGD	
O=C1CC[C@@H]2[C@H]1[C@@H]2C(=O)NNc1cccc(Br)n1	909545967	RJJZZXQWLOOWKE-DIMCTHFVSA-N	310.151	1.512	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)c(Cl)c1	833250660	JOHRQVWBUALHQT-GFCCVEGCSA-N	312.753	1.679	50	20	DDGD	
C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)c2ccc(B(O)O)cc2)C1	584988416	MZAYTAUJOYZQAQ-KSSFIOAISA-N	323.201	1.980	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H](C)c1nc(C)cs1	831575704	ULWXJCYJQUGYAR-MRVPVSSYSA-N	318.493	1.413	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1nnc(OC(C)C)s1	731906342	ZMRXJNMCSYFBPC-SSDOTTSWSA-N	318.424	1.363	50	20	DDGD	
Cc1ccc(CNCc2ccc(B(O)O)o2)c(OCC2CC2)c1	585028433	KCKWUSDQGZOQFA-UHFFFAOYSA-N	315.178	1.346	50	20	DDGD	
O=C(NC[C@@H]1CCc2ccccc21)NNC(=O)[C@@H]1CCCCO1	838431539	UUXFIMNZKPBKKF-ZFWWWQNUSA-N	317.389	1.616	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)COc2ccc(C=O)cc2)c1	733259663	OHDLBQUDAXBHCB-UHFFFAOYSA-N	323.308	1.211	50	20	DDGD	
Cn1cc(-c2cncc(C(=O)NNC(=O)C(C)(C)C)c2)cn1	731183124	SCKQANFTUYSEOV-UHFFFAOYSA-N	301.350	1.289	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)C(F)F)c1	913419385	QQAJFUOYSITGKN-UHFFFAOYSA-N	300.305	1.910	50	20	DDGD	
CCN1CCC[C@@H]1CNC(=O)NNC(=O)c1ccccc1C	745838995	IYXVVHACKIBIJN-CYBMUJFWSA-N	304.394	1.423	50	20	DDGD	
Cn1cc(C(=O)C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])cn1	748564057	NNFYGWOYQRYCJB-UHFFFAOYSA-N	323.696	1.308	50	20	DDGD	
O=C(CC(F)(F)F)NN=Cc1ccc(C(=O)NC2CC2)cc1	917550803	OBYDYJURNVDTMF-UHFFFAOYSA-N	313.279	1.981	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@@H]1CCC[C@@H](C(F)(F)F)C1	745986192	MWLVLRKAVVGSAH-NXEZZACHSA-N	323.315	1.428	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)Cc1cn2ccccc2n1)C1CC1	746756364	OSBIPSIDEVHXRW-LLVKDONJSA-N	315.377	1.253	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)C[C@H](OC)C1CCCCC1	849393102	YOXSMPYZNGZOIE-NSHDSACASA-N	308.400	1.114	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@H]2CC23CCOCC3)o1	748845563	CSJQAIXOKCKRPK-SNVBAGLBSA-N	304.350	1.929	50	20	DDGD	
CC1(C)CCC[C@H]1C(=O)NNc1ccccc1S(N)(=O)=O	842262486	VQGFGMPXJIVFDQ-JTQLQIEISA-N	311.407	1.603	50	20	DDGD	
CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)NN(C)C[C@H](C)O	910165294	JNNUBVCATAVRTE-NHYWBVRUSA-N	317.430	1.414	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CCCCN1Cc1ccccc1	746095755	ALONIYWYMWHVBI-HNNXBMFYSA-N	303.406	1.845	50	20	DDGD	
O=C(NC[C@@H]1CNCCCO1)NNc1ccc(Cl)c(F)c1	842003114	FJFFQVLRXMCICU-JTQLQIEISA-N	316.764	1.484	50	20	DDGD	
Cc1cc(Br)ccc1CC(=O)NN(C)C[C@@H](C)O	910152613	QUFIRXZAGRFDJX-SNVBAGLBSA-N	315.211	1.644	50	20	DDGD	
COc1ccc(CNC(=O)NNc2ccc(Cl)nn2)cc1O	916641661	BGHJEUOMDZZVEM-UHFFFAOYSA-N	323.740	1.671	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CCc2ccn(C)n2)cc1	846375534	DUJSDCAGNIZPIV-UHFFFAOYSA-N	316.361	1.212	50	20	DDGD	
Cc1ccn(-c2ccc(C(=O)NNC(=O)c3ccncc3)cc2)n1	915635767	OCCXEBYWPQBWMS-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
CC(C)Cn1nccc1C(=O)NNC(=O)NCc1ccco1	843774514	BCESZVDFQQILAE-UHFFFAOYSA-N	305.338	1.276	50	20	DDGD	
Cc1nc2n(n1)C[C@@H](NC(=O)NNc1ccc(F)c(F)c1)CC2	916378748	SQVRLJHCNXXACI-JTQLQIEISA-N	322.319	1.506	50	20	DDGD	
O=C(NNc1ncccn1)[C@H]1CC(=O)N(C2CCCCC2)C1	914834776	SKBKXVFARYNGBG-NSHDSACASA-N	303.366	1.101	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C2(C#N)CCOCC2)cc1	846372324	RTMXYHIWJPKLGF-UHFFFAOYSA-N	317.345	1.166	50	20	DDGD	
O=C(NNc1nccnc1Cl)[C@@H]1CCO[C@H]1c1ccncc1	846635348	SHAHASBKKBUQKH-MNOVXSKESA-N	319.752	1.746	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@H](C)Cc1cnc[nH]1)c1ccccc1	847482462	WLUMLFOZLZJXSW-IUODEOHRSA-N	314.389	1.930	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc2cccnc2s1	843659119	IAZLKEHGMDGAHB-WPRPVWTQSA-N	305.359	1.482	50	20	DDGD	
CCO[C@H](C(=O)NNc1cc(O)nc2ncccc12)C1CC1	913989163	WKPMYUBSTQWYGF-ZDUSSCGKSA-N	302.334	1.594	50	20	DDGD	
C=CCn1cc(C(=O)NNC(=O)[C@@H](CC)c2ccccc2)nn1	843546552	GIUTWWLHFUNIGA-ZDUSSCGKSA-N	313.361	1.419	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCC[C@H](OC3CCC3)C2)cn1	848302907	FFWBQDMZLCCOSS-SBNBMVPLSA-N	314.389	1.887	50	20	DDGD	
Cc1noc(-c2ccccc2C(=O)NNC(=O)NCC2CC2)n1	742053731	RAYDOGHZOQYTQO-UHFFFAOYSA-N	315.333	1.399	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN[C@H]1CCC1(C)C	846958904	LXAGNSXMSJWTRP-AWEZNQCLSA-N	303.406	1.463	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccc3ccccc3c2)nnn1C	741673696	LZWVWDIGDZRMFP-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1cc(C)c(OC)c(C)c1	921021134	PHVYGXNIDLFJQW-UHFFFAOYSA-N	315.395	1.215	50	20	DDGD	
CCn1ncc(/C=C(/C#N)C(=O)c2cccc3c2OCCO3)n1	840734591	HGJJNVCDECCCQT-FLIBITNWSA-N	310.313	1.859	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)N[C@H]1CCCS(=O)(=O)C1	921782259	PUAJPSRGJFDCPS-VIFPVBQESA-N	319.333	1.168	50	20	DDGD	
COCCCOc1ccc(C(=O)NNC(=O)C(C)(C)C)cn1	751332991	RQCIDKVOJUMPRJ-UHFFFAOYSA-N	309.366	1.304	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CC2(O)CCCCC2)nc1	759721435	KPBAWGDQJWVVAN-UHFFFAOYSA-N	307.350	1.397	50	20	DDGD	
CC(=NNC(=O)c1nn(-c2ccccc2)cc1O)c1cnn(C)c1	920827846	PNNUXSARJGBSIO-UHFFFAOYSA-N	324.344	1.465	50	20	DDGD	
O=C(NCc1cccc2c1OCC2)NNC(=O)[C@H]1CCCCO1	927542440	JFNLCCSEMZBRIC-CYBMUJFWSA-N	319.361	1.021	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N2CC[C@H]3C[C@H]3C2)c(OC)c1	852070135	OSKIROPATBNAID-QWRGUYRKSA-N	319.361	1.400	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(F)cc1OC(C)C	757986772	XBFWZBVVAQSALU-UHFFFAOYSA-N	313.329	1.802	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@]1(C)C[C@@H]1Br	856861957	OPMBJSOXZIVHFB-WDCWCFNPSA-N	303.200	1.803	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1cc2c(cc1O)OCO2	754487246	CLTMVVKZVPQJBL-UHFFFAOYSA-N	307.693	1.926	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2nnc(C)s2)cc1	854510114	ILKIEJPIIZBBQH-UHFFFAOYSA-N	320.374	1.249	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C[C@@H]1CCC[C@@H]1C	854283773	KBJZRQVUKFYFRV-RYUDHWBXSA-N	301.456	1.687	50	20	DDGD	
O=C(NCc1ccco1)NN=C1C(=O)Nc2cc(O)ccc21	920828603	DAJFICGMFBIQEJ-UHFFFAOYSA-N	300.274	1.141	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CC1CCCC1)n1nnnc1C(C)(C)C	757948513	IBJVDWAUPNFOTP-JTQLQIEISA-N	322.413	1.259	50	20	DDGD	
C#C[C@](C)(CC)NCC(=O)NNC(=O)c1ccccc1Cl	852100968	LSQGMFHBIJZYMO-OAHLLOKOSA-N	307.781	1.493	50	20	DDGD	
COCCCOc1cccc(CNC(=O)NNC(=O)C(C)C)c1	752208965	NEBALHXFXNBMMV-UHFFFAOYSA-N	323.393	1.588	50	20	DDGD	
C=C(CBr)COC(=O)c1nc2ncc(C)cn2n1	850324916	ZHXBCXYRRAUJFF-UHFFFAOYSA-N	311.139	1.541	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)c1ccc2c(c1)OCO2	758307509	MWUJEOOLOTXCTJ-UHFFFAOYSA-N	324.296	1.821	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1nc2c(s1)CCCC2	755410719	FCGMNRFEENREKZ-UHFFFAOYSA-N	318.362	1.278	50	20	DDGD	
C=CCC1(O)CCN(C(=O)/C(C#N)=C\c2cnn(C)c2)CC1	924440120	QHAQEQONWMFNAI-ZROIWOOFSA-N	300.362	1.257	50	20	DDGD	
CCN1CCC[C@H](NC(=O)NNc2c(C)cccc2F)C1=O	925977103	QTEJXBMARBJRGX-LBPRGKRZSA-N	308.357	1.771	50	20	DDGD	
CC[C@]1(C)CN(C(=O)NNC(=O)c2cccc(F)n2)CCO1	852708748	CBTLPZJOJSEBMJ-CQSZACIVSA-N	310.329	1.076	50	20	DDGD	
O=C(NC[C@H]1CC1(Cl)Cl)NNc1ncc(Cl)cn1	856831895	LOHXCQQWZDBSKB-RXMQYKEDSA-N	310.572	1.950	50	20	DDGD	
CC(C)(C(=O)NN=Cc1nnn(C(C)(C)C)n1)c1ccccc1	853304707	XSYUJZCHNPYRTA-UHFFFAOYSA-N	314.393	1.856	50	20	DDGD	
C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)NNC(=O)c1cn[nH]c1	858703985	BSQIMKMNBZNCIU-DGCLKSJQSA-N	313.361	1.642	50	20	DDGD	
COCCCNC(=O)NNC(=S)N[C@@H]1CCCC[C@@H]1C	920833528	WRHNWJXFCJMUDG-WDEREUQCSA-N	302.444	1.280	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cccn2C)c(Cl)n1	757688035	XUQBWRMDHIRDMJ-UHFFFAOYSA-N	323.740	1.549	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Nc2cccc3c2OCO3)c1	757996363	SIOHZFZVSCFULW-UHFFFAOYSA-N	324.296	1.753	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1nc2ccsc2s1	756639008	XXYYPAPHLZCNLQ-UHFFFAOYSA-N	322.375	1.856	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)N[C@@H]1CCC(F)(F)C1	852211676	OBWSPLDZJMHFJP-SSDOTTSWSA-N	302.256	1.353	50	20	DDGD	
C[C@]1(C(=O)NNc2ncc(F)cn2)CCOc2ccccc21	935126639	RFJOKIFLJITMIG-HNNXBMFYSA-N	302.309	1.799	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1c[nH]c(C(F)(F)F)c1)C1CC1	855097571	SZRWSZLPVKFOQL-ZCFIWIBFSA-N	320.340	1.941	50	20	DDGD	
O=C(Cc1ccccc1O[C@H]1CCOC1)NNc1cccnn1	857486401	KQWBQDUSDFJHNA-ZDUSSCGKSA-N	314.345	1.330	50	20	DDGD	
C#C[C@@H](CC)NC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	854067657	BCIHYJKTHAAKEA-KGLIPLIRSA-N	317.389	1.813	50	20	DDGD	
C[C@@]1(CNC(=O)N(CCO)C2CCC2)C[C@H]1Br	856956263	WQMZMDCTXKAAHX-PWSUYJOCSA-N	305.216	1.716	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)NC2CCCCC2)c(C)nn1	759357918	RVOCSEISGXKJDY-UHFFFAOYSA-N	305.382	1.624	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1cccc2c1OCO2	757996391	UAYJSBSABWWUIJ-UHFFFAOYSA-N	302.290	1.220	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H](C(C)C)N2CCCC2=O)c1	862477021	DGOLJVRKQDWUHN-ZDUSSCGKSA-N	323.418	1.465	50	20	DDGD	
CC(C)[C@H]1C[C@@H](C(=O)NNC(=O)c2cccc(C#N)c2)CCO1	931934877	HBXRBUWIHZPTLV-LSDHHAIUSA-N	315.373	1.770	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@H]2CCSC2)cn1	762178678	LJAIMWNLRNAASP-QMMMGPOBSA-N	312.420	1.161	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)c2cn[nH]c2)c(O)c1	862469793	BRTKEQGSOVNHTC-UHFFFAOYSA-N	318.333	1.369	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)Nc2cc(F)cc(F)c2)nn1	765293098	XLUGUQLNURZDLX-UHFFFAOYSA-N	308.248	1.002	50	20	DDGD	
CCN(CCC(=O)NC)/C(=C/C#N)c1cccc([N+](=O)[O-])c1	933869165	OQMVASWRRYBFPS-VGOFMYFVSA-N	302.334	1.917	50	20	DDGD	
Cn1ccc(C(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)c1	765571853	QPRVAOQLODQTMT-UHFFFAOYSA-N	315.358	1.552	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cccc(O[C@H](C)CC)c1	763429065	DFWZSJYBUNJPID-SNVBAGLBSA-N	307.350	1.360	50	20	DDGD	
COc1cc(C(=O)NN[C@@H](C)C(F)(F)F)cc(OC)c1OC	862303171	LYTFOAPABAUHMA-ZETCQYMHSA-N	322.283	1.898	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)COc2c(C)cccc2C)n[nH]1	869013199	QEVPAEOEFJMXKC-UHFFFAOYSA-N	316.361	1.104	50	20	DDGD	
COc1cccnc1C(=O)NNC(=O)c1cc2c(s1)CCC2	864483362	MSRHGEZCJPITJG-UHFFFAOYSA-N	317.370	1.715	50	20	DDGD	
COc1cccc(C(C)(C)C(=O)NNC(=O)c2cn[nH]c2)c1	869384985	JKZUOPJEFIAVRW-UHFFFAOYSA-N	302.334	1.157	50	20	DDGD	
COc1cc(C#N)ccc1OCC(=O)NNc1ncc(F)cn1	760911868	IJQVEPDUDAJNJO-UHFFFAOYSA-N	317.280	1.018	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)NCCCOC)[C@@H](C)C1	761261066	LLWXNYSEOKLIHY-RYUDHWBXSA-N	313.398	1.677	50	20	DDGD	
CSCCNC(=S)NNC(=O)CC[C@H]1CC[C@@H](C)O1	769769460	UCWDDAGHIJYINH-NXEZZACHSA-N	305.469	1.192	50	20	DDGD	
O=C(CC[C@@H]1CCCCO1)NNC(=O)c1n[nH]c2c1CCCC2	1116027979	JLLVBAXCSSPGEW-NSHDSACASA-N	320.393	1.399	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C	763516701	MKMIMKOIWZVSFX-UHFFFAOYSA-N	317.389	1.751	50	20	DDGD	
NC(=O)c1cnc(C(=O)NNC(=O)CC2CCCC2)c(Cl)c1	1116413075	UBVPJQABDFGPRC-UHFFFAOYSA-N	324.768	1.175	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CCCc2ccc([N+](=O)[O-])cc21	773033668	VYFCDVDVKGGEMJ-UHFFFAOYSA-N	318.333	1.276	50	20	DDGD	
CC(=NNC(=O)Cc1csc(C)n1)c1ccc(C(=O)O)o1	773026300	BXWKSSZDBWNVDV-UHFFFAOYSA-N	307.331	1.826	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2nn(C)c(=O)c3ccccc23)CCO1	773194679	XLYKUKWMYBNWLN-JTQLQIEISA-N	314.345	1.218	50	20	DDGD	
CC1(C(=O)NNC(=S)Nc2ccccn2)CC(F)(F)C1	874957487	LNAYWMMGSPKKCR-UHFFFAOYSA-N	300.334	1.835	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](C)CCOCc1ccccc1	875586933	ZPHVQOLUAPJNMI-GFCCVEGCSA-N	309.366	1.894	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(C)C[C@@H]1CCCC[C@@H]1O	778246912	SIGTTWKVRZWBPJ-IHRRRGAJSA-N	313.442	1.051	50	20	DDGD	
COC1(C(=O)NNC(=O)c2nc3ccccc3s2)CCC1	874914481	YBDZAIBLDZBJTA-UHFFFAOYSA-N	305.359	1.626	50	20	DDGD	
C[C@@H](CN(C)C(=O)[C@@H](Br)C(C)(C)C)c1nn[nH]n1	773997300	CITJTFQAUPXBGY-JGVFFNPUSA-N	318.219	1.571	50	20	DDGD	
COC1(C(=O)NNC(=S)NCCSC)CCCCC1	773581033	NHNGGQIDFVISGS-UHFFFAOYSA-N	305.469	1.194	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2c3c[nH]nc3CC[C@H]2C)nc(C)n1	878897419	KZJBBOMGFMFPIY-CLAHSXSESA-N	300.366	1.626	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C(C)(C)C(N)=O)c(C)c1	873760792	KEIIVTLGKFAEJS-UHFFFAOYSA-N	308.407	1.133	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2ccncc2C)nc1C	771449251	QKWPEGZPMPESSA-UHFFFAOYSA-N	315.333	1.422	50	20	DDGD	
CSCCNC(=S)NNC(=O)Cc1cc2ccccc2o1	770245071	CFCNEZVGDNITSL-UHFFFAOYSA-N	323.443	1.834	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCCNc2ccccc21	774343949	SOXBPXPIQJPVBL-UHFFFAOYSA-N	300.362	1.335	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)c2cccn2C)c1F	771260268	GUJWSNSIOKXCTD-UHFFFAOYSA-N	306.297	1.639	50	20	DDGD	
C[C@H](CBr)COC(=O)CN(C)[C@H]1CCSC1	770406504	BPQNCWBEUKMOKU-ZJUUUORDSA-N	310.257	1.998	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CCO1	776296571	DKKSRPRLILJBKR-PWSUYJOCSA-N	320.345	1.034	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)COC1(C)CCC1	773258351	UENZSBWZRYYDGX-LLVKDONJSA-N	324.352	1.700	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(CC)ccc1O	772067126	UTGBHGCVVPHOOG-VIFPVBQESA-N	308.334	1.057	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2cccnn2)[C@H]1c1ccccc1	883851707	XZBKDHRWSZIZRA-SMDDNHRTSA-N	311.345	1.524	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)C(C)(C)NS(C)(=O)=O	885125806	ZDXPIJRPWUQBII-UHFFFAOYSA-N	319.814	1.419	50	20	DDGD	
C[C@H](CCNS(=O)(=O)CBr)N1CCCCC1	784472304	GXZBTAJMZQPLBM-SNVBAGLBSA-N	313.261	1.523	50	20	DDGD	
CCNC(=O)CC(=O)NNc1ccc(Br)cc1F	780992243	PAQZCQRDBAORBV-UHFFFAOYSA-N	318.146	1.558	50	20	DDGD	
COc1ccc(CC(=O)NNc2ccccc2[N+](=O)[O-])nc1	789867680	FLOKZOSTYCRFPA-UHFFFAOYSA-N	302.290	1.684	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1ccc(F)c(F)c1	885110901	OWSWSLVOAKLVSJ-UHFFFAOYSA-N	301.293	1.886	50	20	DDGD	
C[C@H]1CN2CCN1C[C@H]2C(=O)NNc1ccc(F)c(Cl)c1	1123840963	RXVMSPIOURXIKR-ZANVPECISA-N	312.776	1.311	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2cccnc2Cl)cn1	784837953	VLISMHJVNCKSQC-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
CC(C)[C@H](NC1CCOCC1)C(=O)NNc1ccnc(F)c1	781435984	KHMMWSNAVAHSFB-AWEZNQCLSA-N	310.373	1.457	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](CC(=O)NNC(=O)c2ccccc2O)CCO1	781679355	ZVQUVXNPWZGISS-WFASDCNBSA-N	320.389	1.995	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cn2cnc3ccccc32)ccn1	789868731	ARIJEHKJIGZBER-UHFFFAOYSA-N	309.329	1.201	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)CC1(c2ccccc2)CC1	781932637	VIENPXYAEBKMEV-CYBMUJFWSA-N	303.406	1.596	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2ccc(C)nc2O)cc1	783021367	DXIFZUVYSVOOKR-UHFFFAOYSA-N	316.317	1.186	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNC(=O)Cc2ccc(F)cc2)s1	895509124	PUMNWEYKDBFJAP-UHFFFAOYSA-N	321.377	1.832	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C[C@H](O)c1cccc(F)c1	899995881	AEFZNOPXXDDGHI-NSHDSACASA-N	313.398	1.543	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NNC(=S)NC(C)(C)C	899991971	HZJHYIQMDZWTHE-UHFFFAOYSA-N	319.434	1.639	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1cnc(N(C)C)cn1	798312396	CSUXSPAIMOOYMX-UHFFFAOYSA-N	314.349	1.318	50	20	DDGD	
O=C(NN=C1CCOc2cc(F)ccc21)C(=O)N1CCCC1	794900238	YJCIQXJPLHKGPQ-UHFFFAOYSA-N	305.309	1.051	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1CC[C@H](CC(=O)OC)[C@@H]1C	794486178	OUDFUQLXFALOPN-QWHCGFSZSA-N	311.426	1.800	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)COc1cccc(C)c1	794609066	OMOUEILBWDOKTG-UHFFFAOYSA-N	301.346	1.726	50	20	DDGD	
Cc1cccnc1NNC(=O)NCc1ccc(-n2cncn2)nc1	791023015	XUHOQFGIUVVCKJ-UHFFFAOYSA-N	324.348	1.192	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2nc3ccccn3n2)c2ccccc21	791252072	HEOYNRBIKMQEOZ-LBPRGKRZSA-N	307.313	1.543	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)n1	791312373	TVBKNEVWUUISER-UHFFFAOYSA-N	320.284	1.480	50	20	DDGD	
C[N+](C)(C)CC(=O)NN=C1CCCOc2cc3c(cc21)CCC3	794456473	LDMACTOEQKVQNY-UHFFFAOYSA-O	316.425	1.874	50	20	DDGD	
COCc1cc(C=NNC(=O)COc2ccccc2C#N)no1	794876421	DNTZRSZLWZAUIV-UHFFFAOYSA-N	314.301	1.222	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COCCc2ccccc2)n1	794077693	ZBEKNUPWLHHHCR-UHFFFAOYSA-N	313.357	1.410	50	20	DDGD	
COc1cccc(C2=NO[C@@H](C(=O)NNc3cccnn3)C2)c1	792315526	BFSUYIFSPFKQKM-CYBMUJFWSA-N	313.317	1.122	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCO2)C(=O)c1ccccc1	792014502	IYXPXQOAXJQHCY-UHFFFAOYSA-N	312.281	1.059	50	20	DDGD	
C=C(CBr)COC(=O)C(=O)c1cnn(CC)c1	795570496	ZUUUOMXZVSNYDM-UHFFFAOYSA-N	301.140	1.580	50	20	DDGD	
CC(=NNC(=O)c1ccc(O)c(O)c1)c1ccc(C(=O)O)cc1	794559671	ZXLUJLIEGJQYPO-UHFFFAOYSA-N	314.297	1.950	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)NNc1ccncn1	1324481423	GQWXXZWLYZIPLV-LLVKDONJSA-N	321.381	1.565	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1	1323584073	RYRYSQNOFNZVTN-UHFFFAOYSA-N	304.262	1.006	50	20	DDGD	
C=C[C@H](COC)NC(=O)NNC(=O)CSc1ccc(C)cc1	1320603931	CNWDCWSBSQYTIH-GFCCVEGCSA-N	323.418	1.619	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Nc1cc(F)cc(F)c1)n1ccnc1	1256689987	ADEZLKPFJHFOAF-MRVPVSSYSA-N	309.276	1.575	50	20	DDGD	
COCc1nocc1C(=O)NNC(=O)Nc1ccc(Cl)cc1	1330153485	IBBZMDJNWATACG-UHFFFAOYSA-N	324.724	1.941	50	20	DDGD	
CO[C@@H]1CCN(c2nnnn2C[C@]2(C)C[C@H]2Br)C1	1335977435	QUIJIQMNMQKELW-KKZNHRDASA-N	316.203	1.072	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CN2[C@H](C)CC[C@H]2C)cc1	1252384553	SJASFFMQMLXNGN-VXGBXAGGSA-N	305.378	1.329	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1csc(Br)n1	1330814247	UODAJVBAZNRMPQ-UHFFFAOYSA-N	323.241	1.423	50	20	DDGD	
CC(C)(C)OC(=O)CCCC(=O)NNc1ncccc1[N+](=O)[O-]	1346094277	TYKIWTNGYUCKSK-UHFFFAOYSA-N	324.337	1.945	50	20	DDGD	
O=C(NC[C@@H]1CCCCCN1)NNC(=O)c1ccccc1Cl	1346699465	HQMMMIYOIIAXIB-NSHDSACASA-N	324.812	1.816	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)NCc1nnc(C)n1C	1262190858	BZRNDKKIZHGXJR-UHFFFAOYSA-N	308.773	1.912	50	20	DDGD	
C[C@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)c1noc(C(F)F)n1	1348966346	IGZOQKQFRZFKOH-FHYFFISESA-N	322.275	1.525	50	20	DDGD	
CCOCCCCNC(=O)NNc1nncc(N)c1Cl	1340526327	GWWAOTRAXOPNKW-UHFFFAOYSA-N	302.766	1.155	50	20	DDGD	
C[C@@H]1CCCN(C(=O)CCNC(=O)NNc2ccccc2)C1	1346884328	KGOCFQTYFRWQSW-CYBMUJFWSA-N	304.394	1.961	50	20	DDGD	
O=C(Cn1cc(C(=O)O)cn1)NNc1cc(F)c(F)cc1F	1601379243	FQPOTISIZMHUFX-UHFFFAOYSA-N	314.223	1.142	50	20	DDGD	
O=C(NNC(=O)[C@@]1(C(=O)O)CC=CCC1)c1ccc(Cl)nc1	1605814581	IITIJBKDVLYCHJ-CQSZACIVSA-N	323.736	1.307	50	20	DDGD	
N#CC1=CCN(Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1	1609494671	JZJOAHDTHWOYES-UHFFFAOYSA-N	311.305	1.431	50	20	DDGD	
CC(C)(C)C(=O)NN=C1CCCc2cc(-c3nn[nH]n3)cnc21	1609073571	AWVOWXCGFUEYBR-UHFFFAOYSA-N	313.365	1.464	50	20	DDGD	
CCOc1cnc(C(=O)NNc2cccc(C(=O)O)c2)cn1	1605714706	OIVWGUSIIVFFMN-UHFFFAOYSA-N	302.290	1.330	50	20	DDGD	
CC1(C)CC(=NNC(=O)NCC(=O)O)c2cc(O)ccc2O1	1609814687	VZEIFMDTJIWMMX-UHFFFAOYSA-N	307.306	1.041	50	20	DDGD	
O=C(NNC(=O)c1ccc(C(=O)O)c(F)c1)OCC(F)(F)F	1601554711	FZPSHMDEOUHDAN-UHFFFAOYSA-N	324.186	1.457	50	20	DDGD	
O=C(O)c1cccc(CC(=O)N2C[C@H]3[C@H](Br)[C@H]3C2)c1	1602435562	ONUMRIOFQFPQFU-PJXYFTJBSA-N	324.174	1.779	50	20	DDGD	
O=C(O)COc1ccc(C(=O)NNC(=O)CC2CCCC2)cc1	1608758343	ORUDNTRHEUIAMZ-UHFFFAOYSA-N	320.345	1.491	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNc1ccc(C(=O)O)cc1F	1605867135	VAZUGFCWRMGNNS-UHFFFAOYSA-N	306.297	1.577	50	20	DDGD	
O=C(NN=Cc1ccoc1C(=O)O)Nc1ccc2c(c1)OCO2	1608476914	BWXHPOXVFXJSHG-UHFFFAOYSA-N	317.257	1.862	50	20	DDGD	
Cc1c([C@@H](C)NC(=O)NNC(=O)C(=O)O)sc2ccccc12	1600057533	KLQPPIVDEDRRTK-MRVPVSSYSA-N	321.358	1.686	50	20	DDGD	
CO[C@@H](C(=O)NNc1ccc(C(=O)O)cn1)C1CCCCC1	1606650852	PPVHEHCXFWSCEA-CYBMUJFWSA-N	307.350	1.818	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNc1ccc(C(=O)O)cn1	1610048013	IHFCUNVTWUEQEX-UHFFFAOYSA-N	316.317	1.639	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](O)CCl)CC1	1826586157	CIOIYJSSGYIDJH-KBPBESRZSA-N	316.829	1.226	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)CC[C@H]2CCCNC2)c1	1578427017	LHHDBTIVBQWAKM-CYBMUJFWSA-N	318.421	1.293	50	20	DDGD	
O=C(NNc1ccc(Br)cc1)[C@H]1[C@H]2CCNC[C@H]21	1580737086	JSUGYRDVCOEIKX-TUAOUCFPSA-N	310.195	1.748	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2ncc[nH]2)C1	1842301506	SIZHHQCHVJQXNU-LLVKDONJSA-N	324.812	1.634	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)c1cscc1-c1nn[nH]n1	1593168007	UFTIFGFEVNYWHR-UHFFFAOYSA-N	322.741	1.129	50	20	DDGD	
CC[C@H](C)[C@H](NNC(=O)[C@H]1OCC[C@H]1c1ccccc1)C(=O)O	1594921202	ONIQQPVFCLYHEM-MXAVVETBSA-N	320.389	1.679	50	20	DDGD	
O=C(NN=CCCc1ccc(-c2nn[nH]n2)cc1)c1ccc[nH]1	1593155757	YZBQUFYYHWUEEP-UHFFFAOYSA-N	309.333	1.543	50	20	DDGD	
CCn1cc(C=NNC(=O)NCC(=O)O)c(-c2ccccc2)n1	1597879541	BBMZKUSRUNRNDT-UHFFFAOYSA-N	315.333	1.288	50	20	DDGD	
COc1ccc([C@@H](NS(=O)(=O)CCCCl)C(=O)O)cc1	1599532185	VFLFFKWNOHDBHM-LLVKDONJSA-N	321.782	1.369	50	20	DDGD	
COCCn1cc(C(=O)NNc2cccc(C(=O)O)c2C)cn1	1599272338	ZKIQNBGNBFKXBE-UHFFFAOYSA-N	318.333	1.293	50	20	DDGD	
CCCN1CC[C@H](NC(=O)NNc2cccc(C(=O)O)c2)C1	1595906786	KMNSECVYCPZYFU-ZDUSSCGKSA-N	306.366	1.495	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NN=C(C)c1cccc(OCC(=O)O)c1	1776102149	IFGJPTSXSDLOEF-KGLIPLIRSA-N	320.345	1.415	50	20	DDGD	
COc1cc(C(=O)O)ccc1C=NNC(=O)c1cccc(F)n1	1776094527	XRSNOEGDZLGTRT-UHFFFAOYSA-N	317.276	1.691	50	20	DDGD	
CC(=O)NNC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1	5480948	AAVFSUFXTJNHHL-UHFFFAOYSA-N	323.308	1.268	50	20	DDGD	
O=C(NNC(=O)c1cccc(OC(F)F)c1)c1ccncc1	15273434	QMZSMPGIVVEYEU-UHFFFAOYSA-N	307.256	1.758	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2c(C)noc2C2CC2)c(O)c1	162409864	PMTCJBXZTRKOMJ-UHFFFAOYSA-N	315.329	1.949	50	20	DDGD	
C[C@@H](C(=O)NNc1cnc2ccccc2n1)N1CCSCC1	163537127	JRUVNHUMCQRJTH-NSHDSACASA-N	317.418	1.510	50	20	DDGD	
O=C(CCc1nc(-c2ccoc2)no1)NNc1cnccn1	155229859	XRZKYPLNANVAQH-UHFFFAOYSA-N	300.278	1.196	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)/C=C/c2cnn(C)c2C)c(C)o1	155241860	FUUATONFWVCWBM-AATRIKPKSA-N	302.334	1.413	50	20	DDGD	
CS[C@@H](C)CC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	155499392	FSUUYTQBZXOXMQ-UWVGGRQHSA-N	314.382	1.882	50	20	DDGD	
O=C(CNC(=O)c1ccccc1)NNc1ccncc1Cl	154624770	JPEANPXEVNIUQW-UHFFFAOYSA-N	304.737	1.608	50	20	DDGD	
CCCCOCCCNC(=O)NNC(=O)c1cccc(C#N)c1	103511171	NGCTVGORESKYEW-UHFFFAOYSA-N	318.377	1.709	50	20	DDGD	
COc1cc(OC)cc(N2CC[C@H](NC=C(C#N)C#N)C2=O)c1	175958920	VAVLMWWENMOARW-HNNXBMFYSA-N	312.329	1.330	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NC[C@@H]1Cc2ccccc21	176258459	JXMMKUPOQQSZTI-AWEZNQCLSA-N	310.357	1.294	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1C[C@H]2[C@H](C1)C2(C)C	176590852	IDHGMYVEVVRNFD-RYUDHWBXSA-N	303.362	1.637	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccc(C#N)cc1)N1[C@H](C)CC[C@H]1C	101663603	BMSGJFWUUPCDMA-UPJWGTAASA-N	314.389	1.581	50	20	DDGD	
CCCc1cc(C(=O)NNc2nc(-c3ccncc3)no2)[nH]n1	102158336	RFDYMEHHBKAHEG-UHFFFAOYSA-N	313.321	1.564	50	20	DDGD	
C[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)OC(C)(C)C	58096086	IGCRZUKMJJRDHQ-JTQLQIEISA-N	307.350	1.361	50	20	DDGD	
O=C(COc1cccc([N+](=O)[O-])c1)NNC(=O)NC1CCCC1	65919678	CYQFLMTWOFDVBU-UHFFFAOYSA-N	322.321	1.247	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)N2CCCCCC2)c(O)c1	175551243	JQYPXYYRJCZKHT-ZDUSSCGKSA-N	319.405	1.726	50	20	DDGD	
Cc1ccnc(NNC(=O)CCNC(=O)c2cccs2)c1	176730255	YRAJAVARJXATLH-UHFFFAOYSA-N	304.375	1.715	50	20	DDGD	
CCCC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1	68234865	NEPHWGVXVBUNNG-UHFFFAOYSA-N	318.421	1.146	50	20	DDGD	
C[C@H]1CCC[C@H](OCC(=O)NNC(=O)c2cccc(C#N)c2)C1	112581357	ZFZRQVXTVXFKLR-WFASDCNBSA-N	315.373	1.915	50	20	DDGD	
CNc1cc(C(=O)NNC(=O)NCc2ccco2)cc(Cl)n1	118320716	MQTWDVSMAMDRAC-UHFFFAOYSA-N	323.740	1.514	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCC2CCN(C)CC2)o1	176491979	ULCHHRAXJRIUJP-UHFFFAOYSA-N	308.382	1.264	50	20	DDGD	
O=C(CNC(=O)c1cccc(F)c1)NNc1nccnc1Cl	114897563	RONOHTPZHXRSSV-UHFFFAOYSA-N	323.715	1.142	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1ccc2ncccc2c1	173966747	WHLAJJRYKDBHAR-UHFFFAOYSA-N	305.301	1.658	50	20	DDGD	
C=CCSCCNC(=O)NNC(=O)Cc1ccccc1F	171834332	PRKCFWMFJVTBEN-UHFFFAOYSA-N	311.382	1.618	50	20	DDGD	
Cc1cc(C(=O)NNc2nnc(-c3ccccn3)s2)on1	188192951	QRBLIASGWNFTBR-UHFFFAOYSA-N	302.319	1.653	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1ccc2c(c1)OCCO2)C1CC1	63662307	VKJTXMCVEPUMCI-JTQLQIEISA-N	304.346	1.655	50	20	DDGD	
Cc1cnccc1CNC(=O)NNc1ccc(-n2cccn2)nn1	188299861	SXVNEXIEDVNESZ-UHFFFAOYSA-N	324.348	1.192	50	20	DDGD	
CCc1ccc(C(C)(C)C(=O)NNC(=O)c2cnn(C)c2)cc1	176629403	HBRXMWXMKFHPMW-UHFFFAOYSA-N	314.389	1.721	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	124765338	SHDWRJYJDOZDQT-MRVPVSSYSA-N	322.752	1.344	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(C)cc1C	77164154	VCHVLOVLEPAFRR-UHFFFAOYSA-N	305.378	1.369	50	20	DDGD	
O=C(CCOCc1ccccc1)NNC(=O)NCc1ccco1	122759036	DSFOGPXTTVDYJV-UHFFFAOYSA-N	317.345	1.717	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H](NC(=O)c1ccc(C)cc1)C(C)C	65191309	JBCMJVJFOMYNGH-CYBMUJFWSA-N	320.393	1.100	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc([N+](=O)[O-])cc2F)n1	180687435	YDJCXKPMIHLRIC-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
COC1(C(=O)NNC(=O)c2ccc(Cl)nc2)CCCCC1	185858912	ATTGBYLWVWYPQW-UHFFFAOYSA-N	311.769	1.845	50	20	DDGD	
Cc1nn(C(C)(C)C)cc1C(=O)NNC(=O)c1cccnc1	184054697	FTTNFSQKGOUQHE-UHFFFAOYSA-N	301.350	1.416	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1ccccc1OC(F)F	186139369	AJKSLNVFXXXGTM-UHFFFAOYSA-N	310.260	1.015	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1ccsc1Cl	187559139	YJAKRLHMRNCHDR-UHFFFAOYSA-N	317.798	1.924	50	20	DDGD	
Cc1ccc(C[C@@H](C)C(=O)NNC(=O)N2CCOCC2)cc1	181136433	OYVHKJCIHMOCPX-CYBMUJFWSA-N	305.378	1.247	50	20	DDGD	
O=C(CCOCC(F)F)NNC(=O)c1ccc(Cl)cc1F	188743588	QFZIZQBDMVUOTA-UHFFFAOYSA-N	324.686	1.912	50	20	DDGD	
CO[C@@]1(C)C[C@H](NC(=O)NNC(=O)c2ccccc2F)C1(C)C	74943765	HAEMGXJYPLXHDF-LRDDRELGSA-N	323.368	1.973	50	20	DDGD	
O=C(NCc1ccc(-n2cccn2)cc1)NNc1cccnn1	77348146	OUHUSJURLDKUGV-UHFFFAOYSA-N	309.333	1.489	50	20	DDGD	
CCOC(=O)CC(=O)NNc1ccc(Br)c(F)c1	184252649	WCXMDYAPNGNVEJ-UHFFFAOYSA-N	319.130	1.985	50	20	DDGD	
O=C(CC[C@H]1CCOC1)NNc1ccc(C(F)(F)F)nn1	123871165	GAYJIQGDAFGYCE-QMMMGPOBSA-N	304.272	1.755	50	20	DDGD	
CC[C@H](C(=O)NNc1nnc(-c2ccccn2)s1)N(C)C	188252311	DPPNFIBXLQIMAD-SNVBAGLBSA-N	306.395	1.383	50	20	DDGD	
O=C(CO)NNC(=O)c1ccccc1SCc1cccs1	182742196	SGZSDVPIFIARCX-UHFFFAOYSA-N	322.411	1.794	50	20	DDGD	
CC(=O)Nc1ccc(C)c(C(=O)NNC(=O)c2cc(C)n[nH]2)c1	188951438	DHCGRZMWSFDHBA-UHFFFAOYSA-N	315.333	1.060	50	20	DDGD	
CC1CCN(CC(=O)NNc2nc(-c3ccncc3)no2)CC1	137488044	NAHNSDZCWGZWLC-UHFFFAOYSA-N	316.365	1.307	50	20	DDGD	
CC[C@@H](CCO)CNC(=O)c1c(C)nn(CCCl)c1C	130453391	CDAABUJAJQVQOS-LBPRGKRZSA-N	301.818	1.877	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)C(C)(C)C)c(F)cc1F	84650010	FITMYXAXCCTGBN-UHFFFAOYSA-N	306.334	1.629	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1ccn(CC(F)F)n1	193971607	PQMMRTRDPOQFOC-UHFFFAOYSA-N	322.315	1.542	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cc1c(F)cccc1F)C1CC1	88280868	LHEPZDNYLSOSPH-MRVPVSSYSA-N	313.373	1.801	50	20	DDGD	
Cc1sc(=O)n(CC(=O)NNC(=O)CC2CCCC2)c1C	195205644	BOBDEZXBAFBVQJ-UHFFFAOYSA-N	311.407	1.254	50	20	DDGD	
Cc1c(C(=O)NNc2cccc(C(F)(F)F)n2)nnn1C	266600421	OBFZJUHGAPOPKL-UHFFFAOYSA-N	300.244	1.294	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CC(C)(C)C(=O)O)cc1	265263752	YXSDAVIEXUDZGD-UHFFFAOYSA-N	308.334	1.022	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)CNc2ccc(C)cc2)O1	268225842	JZLOJHNURHTRAQ-KBPBESRZSA-N	305.378	1.512	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CN2CCSC2=O)n1	267207334	RPHKYNJEVYGGPI-UHFFFAOYSA-N	301.759	1.050	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)c1	267560290	ANCCSWMIMGVFCL-VIFPVBQESA-N	321.402	1.381	50	20	DDGD	
CCCC(O)(CCC)CC(=O)NNC(=O)Cn1nc(C)cc1C	268065475	GZONJGSEMFHMIT-UHFFFAOYSA-N	324.425	1.369	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1c(O)cccc1F	274807063	OEIRPQIAHYSARM-UHFFFAOYSA-N	303.384	1.003	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N2CCOCC2)c(C(F)(F)F)o1	274860336	YVJSPJJSHFQYFM-UHFFFAOYSA-N	321.255	1.293	50	20	DDGD	
CSCc1ccccc1NC(=O)C(=O)NNC(=O)C1CCC1	274131087	VPRVWYGUBVUJRD-UHFFFAOYSA-N	321.402	1.436	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C2(O)Cc3ccccc3C2)cc1	369690733	WZHSKRLPHJHREF-UHFFFAOYSA-N	324.380	1.540	50	20	DDGD	
CCc1c(NC(=O)NNC(=O)CN(C)C)cnn1CCC(C)C	277264232	PBFOSMBIFRJRGR-UHFFFAOYSA-N	324.429	1.206	50	20	DDGD	
CCCCCc1nnc(NC(=O)NN(C)C(=O)NCC)s1	277103976	MDSNKNUHNSLPCV-UHFFFAOYSA-N	314.415	1.969	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](C)NC(=O)CC(C)(C)C)n1	275168365	RVDKKXCQEQQORF-SNVBAGLBSA-N	323.397	1.178	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C[C@H]2CCC(=O)[C@@H]2C)c1O	279950826	BDODPHQZYXKGHZ-NXEZZACHSA-N	320.345	1.167	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNC(=O)c2cccnc2)C1(C)C	273565056	NNEVXMCJSKTJJO-OLZOCXBDSA-N	303.362	1.484	50	20	DDGD	
COc1nccnc1NNC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1	274134580	WDQWNMBXOSLLNC-VXGBXAGGSA-N	308.382	1.770	50	20	DDGD	
CC[C@H]1C[C@H](CC(=O)NNC(=O)CNc2ccccc2)CCO1	272900886	PQZANWAIIFRVLJ-HIFRSBDPSA-N	319.405	1.841	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	276714092	QTVHQIHQOWFFQH-UPJWGTAASA-N	302.378	1.974	50	20	DDGD	
CSSCCNC(=O)N1CCO[C@H]([C@H]2CCCO2)C1	375152277	PXJRVTILAALJTJ-MNOVXSKESA-N	306.453	1.587	50	20	DDGD	
O=C(NCC1=CCCOC1)NNC(=O)c1c[nH]c2ccccc12	288113838	XQJRPDINBGWDDP-UHFFFAOYSA-N	314.345	1.459	50	20	DDGD	
O=C(NCCCNC(=O)C1CCC1)NNc1ncccc1F	286694720	NLGFSUSXYJERQT-UHFFFAOYSA-N	309.345	1.153	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNC(=O)c1cc2ccccc2o1	289752805	MNHHEFWXABYPDZ-JTQLQIEISA-N	318.329	1.783	50	20	DDGD	
CC(C)[C@H](NC(=O)NNc1cncc(Cl)n1)c1nncn1C	288507250	RTMIYJXOAUXAJS-JTQLQIEISA-N	324.776	1.282	50	20	DDGD	
O=S(=O)(CBr)N1CCOc2cccc(F)c2C1	374516925	AIOPXZMJLLHCHH-UHFFFAOYSA-N	324.171	1.702	50	20	DDGD	
CC1=C(C(=O)NNc2ccc(C(F)(F)F)nn2)SCCO1	287575158	FYGSRNGRFWANHC-UHFFFAOYSA-N	320.296	1.933	50	20	DDGD	
C[C@H]1COCC[C@@H]1CNC(=O)NNc1cccc([N+](=O)[O-])c1	287843075	LJXMXHXNWUFUNU-WDEREUQCSA-N	308.338	1.894	50	20	DDGD	
O=C(CCCC1CCOCC1)NNC(=O)c1ccccc1O	281934107	IFZOZEKGGMZQFC-UHFFFAOYSA-N	306.362	1.750	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C(C)(C)OC(C)=O	287268851	LBHLKVUPWDVTHM-UHFFFAOYSA-N	322.361	1.117	50	20	DDGD	
COCCCCNC(=O)NNc1ccc2c(O)nccc2c1	287192791	PRIXWBWFZDKGML-UHFFFAOYSA-N	304.350	1.993	50	20	DDGD	
CCCC(=O)N1CCCC[C@H]1C(=O)NNc1cccc(F)n1	286621253	RGABJDACJPZMJD-NSHDSACASA-N	308.357	1.845	50	20	DDGD	
O=C(NNc1ncccc1F)c1cccnc1N1CCOCC1	804217710	HFZWULKNCWTXDY-UHFFFAOYSA-N	317.324	1.209	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H](C(=O)NNC(=O)N=c2cc[nH]cc2)C1(C)C	802027527	KOPSKGLMYZQOFP-PWSUYJOCSA-N	318.377	1.298	50	20	DDGD	
COc1ccc(CCNC(=O)NNc2ccncn2)cc1OC	296465724	ZIZDCRJBJTYDGF-UHFFFAOYSA-N	317.349	1.363	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cnn(CCF)c1	807195029	SEPQRCPONCEOHF-UHFFFAOYSA-N	306.297	1.396	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H](C)Cn2ccnc2)cc1	297224278	XVMKUZDDMLOAEG-GFCCVEGCSA-N	303.366	1.997	50	20	DDGD	
O=C(C[C@@H]1CCCC(=O)N1)NNc1ncc(Cl)cc1Cl	290593679	VLTRRMDTGZSECL-QMMMGPOBSA-N	317.176	1.890	50	20	DDGD	
N#Cc1ccc(SCC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	295384756	KXNXLEUIADISFH-ZDUSSCGKSA-N	319.386	1.367	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)[C@@H](C2CC2)N2CCCC2)c1	293951925	OWDOUCGXUSATOT-MRXNPFEDSA-N	316.405	1.963	50	20	DDGD	
CC(C)Cn1cc(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cn1	292820362	SPXFMANGJVHLJZ-JQWIXIFHSA-N	309.370	1.259	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cc2cc(F)ccc2o1	802035256	DDLJEFLJQDCAMA-UHFFFAOYSA-N	314.276	1.855	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cc([N+](=O)[O-])n[nH]1	802831627	VXJLNEXLDXQYDD-UHFFFAOYSA-N	301.184	1.492	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)COCc2ccccc2)no1	296028092	ZNIVOJSOYOVCJH-UHFFFAOYSA-N	317.345	1.605	50	20	DDGD	
CN1CCO[C@@H](C(=O)NNc2cc(Cl)ccc2[N+](=O)[O-])C1	296194563	TUEPEABKONBYIY-LLVKDONJSA-N	314.729	1.022	50	20	DDGD	
CC(C)(C)[C@@H]1CN(S(=O)(=O)CBr)CCO1	709061348	FODSNYQTABXQGH-QMMMGPOBSA-N	300.218	1.416	50	20	DDGD	
CC(=O)c1ccc(OCCCC(=O)NNc2nnc[nH]2)cc1	293800831	DGZJONFCWKOHJG-UHFFFAOYSA-N	303.322	1.310	50	20	DDGD	
CC(=O)Nc1ccc(C)c(C(=O)NNC(=O)[C@@H]2CCCCO2)c1	295298644	DZBGZFMTFZRHIG-AWEZNQCLSA-N	319.361	1.284	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CC23CCC3)cc1	801109103	VFAZSPKSAPKJHF-LBPRGKRZSA-N	301.346	1.271	50	20	DDGD	
CC(C)n1ccc(C(=O)NNc2ccc(-n3ccnc3)nn2)n1	804954002	JPOSWACAANWQRN-UHFFFAOYSA-N	312.337	1.197	50	20	DDGD	
CC(C)n1nccc1C=NNC(=O)COc1ccccc1O	814951816	XEBYKSUPYPVQDQ-UHFFFAOYSA-N	302.334	1.699	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1ccc(O)c([N+](=O)[O-])c1	814956366	UIVMFVNCIFTUAM-UHFFFAOYSA-N	303.278	1.106	50	20	DDGD	
COc1cccnc1CC(=O)NNc1nc2ccccc2n1C	816579118	FTQIFTMHZSERDL-UHFFFAOYSA-N	311.345	1.663	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NN=Cc1cnn(C)c1N	814917542	WYNDWAHTBNOBMH-VIFPVBQESA-N	321.768	1.573	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1ccc(COc2ccc(F)cc2)o1	816632027	QFJPVJACXUKBQZ-UHFFFAOYSA-N	317.280	1.873	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CCOc2ccccc2)n1	810594414	CTXHHMFGJULCLO-UHFFFAOYSA-N	310.313	1.183	50	20	DDGD	
COc1cc(C(C)=NNC(N)=O)ccc1OCCCC(=O)O	814686439	GHNPCARQJAUILC-UHFFFAOYSA-N	309.322	1.331	50	20	DDGD	
COC(=O)CCCNC(=S)NNC(=O)Nc1ccccc1	812476763	OXGLHXVCJPYSIU-UHFFFAOYSA-N	310.379	1.140	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2ccc(O)nn2)ccc1C	816689045	QNYUIUOLXWPOIJ-UHFFFAOYSA-N	302.290	1.034	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1nnc2nc[nH]n12	819972658	JXKOKUPWATVQBP-YFKPBYRVSA-N	301.148	1.201	50	20	DDGD	
COCCN(C)NC(=O)c1cnn(Cc2ccccc2Cl)c1	816561618	DTJPHDOQOSZUDS-UHFFFAOYSA-N	322.796	1.808	50	20	DDGD	
COC[C@H](C)NC(=O)NNC(=O)Cn1ccc2ccccc21	729581139	MEOLHVSGRYRXFU-NSHDSACASA-N	304.350	1.007	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@@H](C)[C@H]3CCC(=O)N3)nc12	828358249	IXZMRFCGAPPLLZ-VHSXEESVSA-N	318.402	1.963	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCCC[C@H]1COC(=O)NC1CC1	491105505	QDHHGZOPDASBLH-WONIAPNHSA-N	321.377	1.700	50	20	DDGD	
O=C(NCC1CC1)NN=Cc1c[nH]c2ccc(-c3nn[nH]n3)cc12	823171101	OOIHLYXDJKGLQL-UHFFFAOYSA-N	324.348	1.391	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cccc(OC(C)C)c1	496026975	PAIDJKBGWMAYGM-UHFFFAOYSA-N	309.322	1.190	50	20	DDGD	
CC1(C)C[C@@H]1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	824795605	AQEVQWUYIYKXPC-SSDOTTSWSA-N	307.745	1.404	50	20	DDGD	
CC(Cc1cccs1)=NNC(=O)N[C@H]1CCS(=O)(=O)C1	729637781	UPSNGVVTOAZXKH-JTQLQIEISA-N	315.420	1.153	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cnc(OCc2ccccc2)cn1	823928115	LAUJINKIPIGXLL-LBPRGKRZSA-N	316.361	1.013	50	20	DDGD	
CN(NS(=O)(=O)C[C@H]1CCCCO1)C(=O)OC(C)(C)C	496038488	DVRNUTRCSJYPDD-SNVBAGLBSA-N	308.400	1.257	50	20	DDGD	
CCOCC(C)=NNC(=O)c1nn(-c2ccccc2)cc1O	726423399	HGDZARIMPCUBSF-UHFFFAOYSA-N	302.334	1.720	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@]2(c3ccccc3)CCNC2)n1	823866053	ASMFOZIADMVYIJ-KRWDZBQOSA-N	311.389	1.468	50	20	DDGD	
CC(C)[C@@H]1CN(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)CCS1	827289328	ROAMVMNTMSDDOV-SRVKXCTJSA-N	315.439	1.226	50	20	DDGD	
CCC(F)(F)C(=O)NNC(=O)c1ccc(OC)cc1OC	826647155	PVVOLDJWYISQDZ-UHFFFAOYSA-N	302.277	1.510	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(-c2ccc3c(c2)CCO3)no1	495760681	FQBGPTBZHOUAHI-UHFFFAOYSA-N	317.301	1.620	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(OC)ccc1OC(F)(F)F	496421733	TXGONCJRPCICKC-UHFFFAOYSA-N	322.239	1.937	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2O)CCN1C	825503975	KDPYPHZUYLHDDP-PSASIEDQSA-N	311.769	1.147	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21	906583216	VJGWZYCRTOSKSU-IUIKQTSFSA-N	311.341	1.014	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1Cl	495449690	ZCBAHMHLYDLTSB-UHFFFAOYSA-N	306.105	1.319	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(OC)cc1	730576891	MTVCHIJYULGHFO-LBPRGKRZSA-N	324.402	1.360	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cnn(C2CCC2)c1	901156098	WNPQZGLQOOGLBK-ZDUSSCGKSA-N	319.409	1.027	50	20	DDGD	
CC(C)CCC(=O)NNS(=O)(=O)c1ccc(C(=O)O)s1	736429520	ZKRDOOIXXJLFBP-UHFFFAOYSA-N	320.392	1.192	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CC[C@H](C(F)(F)F)CC2)c(F)c1	585048818	DJNFLGKQCYCSRF-UMSPYCQHSA-N	319.107	1.716	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1cnc2c(c1)CCCC2	836503617	ZCYAWHKNTDIELX-CQSZACIVSA-N	318.377	1.682	50	20	DDGD	
C[C@H]1COCCN1CCNC(=O)/C(C#N)=C\c1ccc(F)cc1	490838884	BRIMNEDLSBSRSB-OJNRTJSBSA-N	317.364	1.570	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1cnc2n1CCOC2	905437299	ADOMDKXEMLQSNB-UHFFFAOYSA-N	314.345	1.115	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccc(NC(=O)OC)c1	491120467	ZHOVYEPMCDXBJZ-UHFFFAOYSA-N	308.338	1.609	50	20	DDGD	
CC(C)C(=O)NC1CCN(C(=O)NNC(=O)C(C)(C)C)CC1	731498997	FFRBYYOBEKVXNN-UHFFFAOYSA-N	312.414	1.010	50	20	DDGD	
C[C@@H](CCCc1ccccc1)C(=O)NNC(=O)c1ncon1	832826426	ZQYXYICAQJNWSI-NSHDSACASA-N	302.334	1.490	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(F)c(Cl)c1)C1CCC1	732047927	LCEXFOHVXMEENF-UHFFFAOYSA-N	306.746	1.589	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)C[C@@H]1C[C@H]2CC[C@H]1O2	836207846	KEUKPPSLARVNOD-DMDPSCGWSA-N	322.336	1.310	50	20	DDGD	
COc1ccc(CCC(=O)NN=C2CCN(OC)CC2)cc1	834943745	GFVQALLCZDFUDD-UHFFFAOYSA-N	305.378	1.757	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCC[C@H](C)OC)c1ccccc1	732246517	UCELOOZDTAISSH-GXTWGEPZSA-N	307.394	1.936	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1c[nH]cc1-c1ccccc1	732082796	MBEFDBOYGHIOIW-UHFFFAOYSA-N	309.329	1.788	50	20	DDGD	
OB(O)c1ccccc1CNc1cc(F)ccc1OCC1CC1	585038257	YCRJBYGMZHFJDU-UHFFFAOYSA-N	315.153	1.906	50	20	DDGD	
CCN1C(=O)C(=NNC(=O)c2cnn(C)c2)c2cc(C)ccc21	735412096	KZCJEDITBYOHLD-UHFFFAOYSA-N	311.345	1.229	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)[C@@H]1CCCCO1)c1cccnc1	833236514	RZWHZSVWGYGRLX-KBPBESRZSA-N	305.378	1.538	50	20	DDGD	
C[C@H]1CN(c2ccccc2F)CCN1S(=O)(=O)CCl	831233110	ZNFPTJKQHAFJBW-JTQLQIEISA-N	306.790	1.862	50	20	DDGD	
CC(C)(CC(=O)O)CC(=O)NN=c1cc[nH]c2ccccc12	833455756	SAKASWDRSVQTBB-UHFFFAOYSA-N	301.346	1.991	50	20	DDGD	
O=C(O)NCCC(=O)NNC(=O)c1ccc(Cl)cc1Cl	739938638	URDBHOBBEFHSGP-UHFFFAOYSA-N	320.132	1.412	50	20	DDGD	
COc1cc(OC)cc([C@@H](NNC(=O)c2ccc[nH]2)C(=O)O)c1	832066017	JYBJDQOOAUZHQQ-CYBMUJFWSA-N	319.317	1.092	50	20	DDGD	
COc1cc(C)ccc1C=NNC(=O)Cn1nc(C)cc1C	834928770	DCPYCORFAXDYGM-UHFFFAOYSA-N	300.362	1.967	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1ccccc1O)c1cnn(C)c1	839473138	KZVXHCOTSHASIB-SNVBAGLBSA-N	302.334	1.081	50	20	DDGD	
CCOCC1(C(=O)NNc2ccc(F)c(C(=O)OC)c2)CC1	837036850	FHQBHAPCXLZJHL-UHFFFAOYSA-N	310.325	1.872	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc2c(c1)CCCO2	831406245	NACIBGAMFYSRFT-MFKMUULPSA-N	319.361	1.589	50	20	DDGD	
O=C(COC(=O)c1cc(O)cs1)NNC(=O)c1ccccc1	732352680	BROQWUDSRSRUIG-UHFFFAOYSA-N	320.326	1.072	50	20	DDGD	
COc1ccnc(C(=O)NNC(=O)COc2ccccc2F)c1	734810449	YYYATLYTNPURQJ-UHFFFAOYSA-N	319.292	1.069	50	20	DDGD	
COC(=O)CC[C@H](Cc1ccccc1)NS(=O)(=O)CCl	830990365	GVXUQJQOKCTOEQ-GFCCVEGCSA-N	319.810	1.667	50	20	DDGD	
CCN(Cc1ccc(C(=O)NN(C)C[C@H](C)O)cc1)C(C)C	910166235	UBENVAZOTRBMPJ-AWEZNQCLSA-N	307.438	1.874	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)NC[C@@H]2CC2(C)C)cc1	732894060	UHBXSFRFNILBBX-NSHDSACASA-N	321.377	1.451	50	20	DDGD	
CN1C[C@@H]2CCCN(C(=O)[C@]3(C)C[C@@H]3Br)[C@@H]2C1	911301981	GFRCHLVYHJXGOH-SRRSOLGSSA-N	301.228	1.713	50	20	DDGD	
COc1cccc(NCC(=O)NN=C2CCN(OC)CC2)c1	834933321	OJUKLUWHOAJNHS-UHFFFAOYSA-N	306.366	1.237	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ccc(C(=O)O)cn1)N1CCCCC1	833465857	OHAXTRVNBJDHFC-AWEZNQCLSA-N	320.393	1.733	50	20	DDGD	
O=C(CCn1cc(Cl)cn1)NNc1ccccc1[N+](=O)[O-]	917898401	VMXNPPAVVQWLIS-UHFFFAOYSA-N	309.713	1.978	50	20	DDGD	
COc1cc(CC(C)=NNC(=O)Cc2cc(C)[nH]n2)ccn1	834937763	WWQCKCYRUCCMMS-UHFFFAOYSA-N	301.350	1.399	50	20	DDGD	
Cn1c(=NNC(=O)c2nccn3ccnc23)sc2ccccc21	741145417	ADPJXDQWDMSFJN-UHFFFAOYSA-N	324.369	1.528	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)CCC(F)(F)F)c1	742473828	NXWSCHMBLLMWAZ-UHFFFAOYSA-N	320.267	1.807	50	20	DDGD	
Cn1ccc(CNC(=O)NNC(=O)c2cc3c(s2)CCC3)c1	747955479	QIVMCABJGJIDKP-UHFFFAOYSA-N	318.402	1.720	50	20	DDGD	
CCc1ccc(C(C)=NNC(=O)Cc2cc(O)nc(O)n2)cc1	743446128	OCBKKFSZUUXMJL-UHFFFAOYSA-N	314.345	1.533	50	20	DDGD	
C[C@]1(C(=O)NCc2nc(C(F)F)no2)C[C@@H]1Br	911271477	UUOQDSKQMIFWDD-IGJIYHIXSA-N	310.098	1.797	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC1CCN(C2CCOCC2)CC1	912347619	UKWFDYYTVGASED-SEYXRHQNSA-N	307.394	1.190	50	20	DDGD	
Cc1ccncc1C(=O)NNC(=O)c1ccc2c(c1)OCCO2	741890799	DVGCHUNNYQBSLO-UHFFFAOYSA-N	313.313	1.236	50	20	DDGD	
C[C@]1(C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)C[C@@H]1Br	912459894	XYBJWAJCFVYQRS-QYTUQVAYSA-N	315.211	1.287	50	20	DDGD	
CCONC(=O)CNC(=O)CCCC[C@H]1CCSS1	846499417	QIRYCFAIICSBJC-JTQLQIEISA-N	306.453	1.884	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCc1ccc(N(C)C)cc1	843646157	VAFPSQJCEJPHCU-SWLSCSKDSA-N	319.405	1.258	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccc2c(c1)NC(=O)CO2	842554703	ILKWBEQAGZHDCZ-ZYHUDNBSSA-N	317.345	1.283	50	20	DDGD	
NC1(CNC(=O)NNC(=O)Nc2ccc(Cl)cc2)CCC1	841966382	AFGXGHRJGBIBRV-UHFFFAOYSA-N	311.773	1.557	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1cc2c(s1)CCC2)n1ccnc1	917361829	YQTJNXUZJGGDSB-JTQLQIEISA-N	318.402	1.846	50	20	DDGD	
O=C(NN=C(CO)c1ccc(F)cc1F)c1ccccc1O	749604251	SKSBUKMGXRMODN-UHFFFAOYSA-N	306.268	1.797	50	20	DDGD	
CCC(CC)(CO)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	848043968	BLYSAIBKIOHOOR-UHFFFAOYSA-N	322.409	1.704	50	20	DDGD	
Cc1nc(CC(=O)NN=C2CCCc3c2cnn3C)cs1	915947240	KXJFBAIQOAEEBD-UHFFFAOYSA-N	303.391	1.584	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@@H]1CCc2ncncc2C1	846638659	DRIOUDSUULMVDJ-SNVBAGLBSA-N	316.336	1.873	50	20	DDGD	
COCC1(CC(=O)NNc2ccccc2S(C)(=O)=O)CC1	843828757	YGVJQECFCNJYTQ-UHFFFAOYSA-N	312.391	1.350	50	20	DDGD	
CC(=O)NCC(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	912585263	QCKWOYFNYMZSHC-GFCCVEGCSA-N	300.475	1.745	50	20	DDGD	
O=C(NN=C1CCN(CCc2ccccc2)CC1)c1ncccn1	841663648	WTUNUTPXMPFEKC-UHFFFAOYSA-N	323.400	1.901	50	20	DDGD	
C[C@]1(C(=O)N2CCC(c3nn[nH]n3)CC2)C[C@@H]1Br	913745946	HXGMHYJGNKQKJZ-KWQFWETISA-N	314.187	1.079	50	20	DDGD	
NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ccc(OC(F)(F)F)cc1	847600659	WAPQYDNACHSLRR-ZJUUUORDSA-N	317.267	1.540	50	20	DDGD	
COc1ccc(NNC(=O)NCC[C@@H]2C[C@H]3CC[C@H]2O3)nc1	841590170	PVBKGDFXKJRDGF-NQBHXWOUSA-N	306.366	1.674	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1cc(Cl)cs1	843650250	AFEDHFCBLDFSSE-KCJUWKMLSA-N	316.810	1.907	50	20	DDGD	
Cn1cc(C(=O)NNc2ncccc2C(F)(F)F)ccc1=O	740100362	LUMHVWABIAVUTB-UHFFFAOYSA-N	312.251	1.556	50	20	DDGD	
O=C(CCn1ccccc1=O)NNc1cccc2cnccc12	748763372	YQNYKGMHISFBBZ-UHFFFAOYSA-N	308.341	1.930	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2cccc([N+](=O)[O-])c2C)CCC1	748673233	CYDLMHRCDLIHHF-UHFFFAOYSA-N	306.322	1.263	50	20	DDGD	
O=C1C[C@H]2C[C@@H]1[C@H](C(=O)NNc1ccc(F)c([N+](=O)[O-])c1)C2	842250780	LAGWBMPWTOEGMA-FXBDTBDDSA-N	307.281	1.792	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)[C@H](C)CN1CCC(C)CC1	749754497	AENOAPLRVYJAHF-CHWSQXEVSA-N	314.499	1.648	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)NC[C@@H]1CCCCN1	841923000	WSJOBOCDHJRPHP-ZDUSSCGKSA-N	324.812	1.355	50	20	DDGD	
CC(C)(C)OC(=O)c1ccc(C(=O)NNC(=O)C(C)(C)C)nc1	843767770	NFDYVUHXOGNFAR-UHFFFAOYSA-N	321.377	1.844	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)c2cc3c(s2)CCC3)O1	756900377	ZUDISOLZOTVORU-GHMZBOCLSA-N	308.403	1.955	50	20	DDGD	
C[C@]1(C(=O)O)CCN(C(=O)NC[C@]2(C)C[C@H]2Br)C1	857100317	FGFBLFLRUGODHT-ZHAHWJHGSA-N	319.199	1.666	50	20	DDGD	
Cn1ncc(C2CC2)c1CNC(=O)NNC(=O)C1CCCC1	852278876	FATCQESFWZYGKX-UHFFFAOYSA-N	305.382	1.318	50	20	DDGD	
CN(CC(=O)NNc1ccc([N+](=O)[O-])cc1F)C(=O)C1CC1	855621156	LSUXNLNREPKSAW-UHFFFAOYSA-N	310.285	1.045	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(N2CCOCC2)cc1C	755740747	NVGFTCKTWWZYGP-UHFFFAOYSA-N	306.366	1.394	50	20	DDGD	
CC(C)N1C[C@H](NC(=O)NNc2cccc(C#N)c2)CC1=O	750643632	JRUVFLCKMIZPCG-CYBMUJFWSA-N	301.350	1.194	50	20	DDGD	
COC(=O)Cc1csc(NC(=O)NNC(=O)C(C)(C)C)n1	920936020	QCSBYEXURUTSBP-UHFFFAOYSA-N	314.367	1.057	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2CC[C@@H]2C(N)=O)c1C	854186549	NIPZPFGNGWTVCE-WDEREUQCSA-N	320.418	1.133	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1ccc2c(c1)oc(=O)n2C	756630574	FBBSNKFMZORSAS-XYOKQWHBSA-N	315.329	1.191	50	20	DDGD	
C[C@@]1(CNC(=O)CCCn2cccn2)C[C@@H]1Br	857404155	WSJZXIFRMQUXDE-JQWIXIFHSA-N	300.200	1.953	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1ccnnc1C	752993755	IYHUFABCSAKQKF-UHFFFAOYSA-N	320.736	1.522	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H]1CC(=O)c2ccccc21)C1CC1	855100010	SFTKHOCSQZACHI-TVQRCGJNSA-N	317.414	1.650	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NC[C@]1(C)C[C@H]1Br	857392625	BAFXWHMXQNPXDC-WZRBSPASSA-N	319.243	1.244	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)C1(c2cccnc2)CC1)C1CC1	855099675	KYARSEKBGPKCES-JTQLQIEISA-N	304.419	1.407	50	20	DDGD	
CC[S@](=O)CCNC(=O)NNc1cc(F)cc(Cl)c1	853779362	UCZGGMUATVWLPU-IBGZPJMESA-N	307.778	1.874	50	20	DDGD	
CCOc1cc2c(cc1NC(=O)NNC(=O)COC)O[C@H](C)C2	755574874	UXIDIWOCTAHZTG-SECBINFHSA-N	323.349	1.208	50	20	DDGD	
C[C@]1(CNC(=O)CCOC[C@H]2CCCO2)C[C@@H]1Br	857397094	DBSIODAYGISOGF-NTZNESFSSA-N	320.227	1.862	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(Cl)c(N)c(Cl)c1	858807790	AYCYDDPZTGSYIJ-UHFFFAOYSA-N	305.165	1.930	50	20	DDGD	
CC(=O)CCc1ccc2oc(C(=O)NNC(=O)CO)c(C)c2c1	753445897	VAJJJTYJHBTJML-UHFFFAOYSA-N	318.329	1.016	50	20	DDGD	
CCSC1(CNC(=O)NNc2nc(C)cc(OC)n2)CC1	852627334	CAHRPAIZXVEQHP-UHFFFAOYSA-N	311.411	1.705	50	20	DDGD	
COCCOC[C@H](C)NC(=O)NC[C@@]1(C)C[C@@H]1Br	856840349	PWGAXQGBKHMUBB-JBLDHEPKSA-N	323.231	1.511	50	20	DDGD	
C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)NNc1cccnn1	852707868	ZGPSDAUVMYXEPT-JTQLQIEISA-N	324.385	1.358	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc([N+](=O)[O-])s1)C1CC1	751621287	RYOJEKHCYHHIGA-ZCFIWIBFSA-N	314.392	1.564	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(OCC(C)C)nc1	756607152	NCIIKURHHBAESH-UHFFFAOYSA-N	310.354	1.306	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc([N+](=O)[O-])cc1F)c1nncn1C	853402734	JGLQSRUYLBPWOZ-ZETCQYMHSA-N	323.288	1.250	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc(C(F)(F)F)[nH]1)C1CC1	855095434	LKSPWRBTBCSXFX-LURJTMIESA-N	320.340	1.941	50	20	DDGD	
CC1(CNC(=O)NNC(=O)Cc2c[nH]c3ccccc23)CC1	753022240	MDBNZAHTXYULPU-UHFFFAOYSA-N	300.362	1.841	50	20	DDGD	
O=C(NN=Cc1cc2ccccc2[nH]1)[C@@H]1CN2CCC[C@@H]2CO1	853390042	JGMXWKDLGXNSCP-ZBFHGGJFSA-N	312.373	1.481	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@]2(C)C[C@H]2Br)CCCNC1	857104135	QTLVAEWLDQINLH-WXHSDQCUSA-N	318.259	1.849	50	20	DDGD	
Cc1nc(CC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)n[nH]1	854195667	IXJVUMSKZOHXDI-UHFFFAOYSA-N	317.393	1.019	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)/C=C/SC)cc1OC	751532941	KRXKFDLIPWUEAT-BQYQJAHWSA-N	310.375	1.732	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](C(=O)NNC(=O)c2ccc(C#N)cc2)CCO1	931161746	DTWOLYJQFUYKBM-GJZGRUSLSA-N	315.373	1.770	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(F)cc2nc[nH]c12	764481450	GMEKIRMIXWTXGG-UHFFFAOYSA-N	302.269	1.258	50	20	DDGD	
COc1cccc(C(=O)/C(C#N)=C/c2cn(CC(=O)O)nn2)c1	768849021	PUBVSRJGJQFFFW-VZUCSPMQSA-N	312.285	1.161	50	20	DDGD	
C[C@@H](NNC(=O)CCOc1cccc(C(N)=O)c1)C(F)(F)F	862311652	QJANAJXJAWXPGP-MRVPVSSYSA-N	319.283	1.126	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1c(OC)cc(F)cc1OC	865215126	JTRNMLGWZMRDQR-YRNVUSSQSA-N	322.336	1.903	50	20	DDGD	
Cc1cccc(NNC(=O)c2cc(CN3CCCC3)on2)n1	862519340	BMDDEOIFMPDOOO-UHFFFAOYSA-N	301.350	1.731	50	20	DDGD	
C=C(CBr)CN1CCO[C@H](c2ccnn2C)C1	933542268	UHAWPSUPFYPPNN-LBPRGKRZSA-N	300.200	1.745	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H](C)Cc2cnc[nH]2)ccc1C	863918827	MYLFSNQGODANAU-LLVKDONJSA-N	316.361	1.827	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccc(F)c(Cl)c2)nn1	863083159	ZBLNUBCWELGCMU-UHFFFAOYSA-N	313.720	1.474	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1	763511496	GCXIFRRDPQJUBS-UHFFFAOYSA-N	321.667	1.047	50	20	DDGD	
COc1cc(CN2CC[C@@H](B(O)O)C2)ccc1OC(=O)C1CC1	864233812	MRLRDRFWHDTDGH-CYBMUJFWSA-N	319.166	1.059	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1O)C1CC1	863859797	UXHLLWZWPLFPTO-LBPRGKRZSA-N	312.753	1.622	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNC(=O)c1cc(C)cs1)C1CCCC1	862475327	HEVLXIZXVJLHGZ-CYBMUJFWSA-N	323.418	1.512	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2c(C)cc(C)cc2C)[nH]n1	861817385	BSLRDAPYHKMOGO-UHFFFAOYSA-N	317.349	1.425	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H](O)[C@@H]2CCCC[C@@H]21)c1ccccc1	868003899	IGHRXQFRUJMQJO-ILXRZTDVSA-N	317.389	1.666	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN[C@H](c1ccccn1)C1CC1	932383819	NSPIRSSBGYLEOM-AWEZNQCLSA-N	304.394	1.316	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCOCC(F)(F)C(F)F	764838660	JNOBMMBBQCJPCU-UHFFFAOYSA-N	317.283	1.280	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)OCCC(C)(C)O)cc(C#N)n1C	765432896	XOWUELXJTYWURT-QPEQYQDCSA-N	301.346	1.816	50	20	DDGD	
Cc1cccc(C(C)C)c1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1	860253367	JMMJKMAUNHEMJH-LBPRGKRZSA-N	318.377	1.550	50	20	DDGD	
CSSCCNC(=O)N1C[C@@H]2[C@H]3CC[C@@H](NC3)[C@H]2C1	861632669	NFCBEMUYMHRRNI-WHOHXGKFSA-N	301.481	1.637	50	20	DDGD	
CCO[C@@H](C(=O)NNc1ccc(CC(=O)OC)cc1)C1CC1	862123038	NBHOXIJWTGSLBW-OAHLLOKOSA-N	306.362	1.660	50	20	DDGD	
O=C(C[C@@H]1COC(=O)C1)NNc1nc2ccccc2[nH]c1=S	862293863	RLKFZLLWHGEOSF-QMMMGPOBSA-N	318.358	1.689	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1cnc(C(F)(F)F)nc1	1119319665	HVXJQBGOSLOBFJ-UHFFFAOYSA-N	305.260	1.694	50	20	DDGD	
CCn1cc(C(=O)NNc2nccnc2Cl)c(C2CC2)n1	878856895	LYUKENIKUOHDFN-UHFFFAOYSA-N	306.757	1.981	50	20	DDGD	
COC(=O)[C@@H](C)c1ccc(NC(=O)NN(C)C(=O)OC)cc1	879891978	MMBXFTFYXOQBRM-VIFPVBQESA-N	309.322	1.698	50	20	DDGD	
C[C@H](CBr)CN1CCC(C)(C)S(=O)(=O)CC1	773969959	HGXIXTJFUAUQLW-SNVBAGLBSA-N	312.273	1.917	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNc1ccnc(N(C)C)n1	878920286	PQTVLEGPYCEPNQ-TVQRCGJNSA-N	315.381	1.075	50	20	DDGD	
O=C(Cc1ccccc1CO)NNc1ccc([N+](=O)[O-])cc1	779819486	LKAQTUFBCAYDOF-UHFFFAOYSA-N	301.302	1.773	50	20	DDGD	
CCOc1cccc(F)c1C=NNC(=O)[C@H](C)OCCOC	872355134	PKHINZKIYKZCLO-NSHDSACASA-N	312.341	1.726	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=Cc1cccc(CC2CCC2)c1	872394714	ZSDOBXDUOKHCID-UHFFFAOYSA-N	308.403	1.524	50	20	DDGD	
O=C(C[C@H](O)c1ccc(Cl)cc1)NNC(=O)c1ccccn1	772556768	ZXSARUYGKZKUKC-ZDUSSCGKSA-N	319.748	1.620	50	20	DDGD	
C[C@H](NC(=O)NNc1ncccn1)c1ccc(N(C)C)cc1	776244834	GFTNKTPSESJLRB-NSHDSACASA-N	300.366	1.930	50	20	DDGD	
Cc1cc(NNC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])ncn1	771577157	DONNFEBARXNHCF-UHFFFAOYSA-N	305.298	1.297	50	20	DDGD	
N#CCC(=O)NNC(=O)c1cc(F)ccc1Br	772834581	JIBPCVXJYNRESX-UHFFFAOYSA-N	300.087	1.263	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2C[C@H]2OC(C)(C)C)cc1O	882052067	WEFWZBOGUZLCFU-DGCLKSJQSA-N	306.362	1.665	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@]1(CO)C[C@H]1c1ccccc1	882204268	LVKUFJYJJRBSSJ-KBPBESRZSA-N	317.838	1.701	50	20	DDGD	
CS[C@@H]1CCC[C@@H](NC(=O)NNC(=O)c2cccnn2)C1	883425242	PNJQLDAPRWAVOF-NXEZZACHSA-N	309.395	1.095	50	20	DDGD	
CN(C(N)=O)c1ccc(OS(=O)(=O)CCCCl)cc1	881858318	JXHJYLVUEJZNLE-UHFFFAOYSA-N	306.771	1.539	50	20	DDGD	
NC(=O)c1cccc(NC(=O)NNc2ncncc2Cl)c1	780692553	AZIMZWAYRJVDIY-UHFFFAOYSA-N	306.713	1.378	50	20	DDGD	
O=S(=O)(CCCCl)N1CCCN(c2ccncc2)CC1	882486074	XYZAXNITXVKSIZ-UHFFFAOYSA-N	317.842	1.552	50	20	DDGD	
CCCNC(=O)NN=C1CCOc2c1cc(F)cc2[N+](=O)[O-]	783838303	WKBAAWWDUQAQJQ-UHFFFAOYSA-N	310.285	1.930	50	20	DDGD	
Cc1cscc1NC(=O)C(=O)NNc1ccc(Cl)nn1	784789669	MBAHXVBJJJVLAL-UHFFFAOYSA-N	311.754	1.582	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)ccc1C	899138844	XSOFBKJYHMXITC-ZLKJLUDKSA-N	302.330	1.450	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccc(C#N)c(O)c2)c1	785408649	SWLIAEVMEIXSLX-UHFFFAOYSA-N	306.281	1.210	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)c2cccnn2)cc1C	893681718	QOBIQOMQVWAIBO-UHFFFAOYSA-N	314.345	1.324	50	20	DDGD	
CCC(=NNC(=O)c1cccc(S(C)(=O)=O)c1)c1cn[nH]c1	788991539	MUJJNHVLOMIZMA-UHFFFAOYSA-N	320.374	1.357	50	20	DDGD	
N#CC1=CCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1	780686503	AUEVTWLVKJSCIS-ZIAGYGMSSA-N	315.373	1.234	50	20	DDGD	
COc1ccccc1C(=O)NNc1ccc(-n2ccnc2)nn1	788178839	VLIOLOYNXCJBRO-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
COCCOC1CCC(C(=O)NNc2ccc(C#N)cn2)CC1	899661161	LTYHCQJJLGFARG-UHFFFAOYSA-N	318.377	1.618	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCC(=NNC(=O)NCc2ccco2)C1	788425981	MCCBGXGLZLMQPV-GFCCVEGCSA-N	313.379	1.422	50	20	DDGD	
CCCN1CC[C@@H](CNC(=O)NNc2ncncc2Cl)C1	781000011	IPKQYIVXSCKUFG-JTQLQIEISA-N	312.805	1.488	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21)c1ccc(Cl)cc1O	892948525	UJDVQHOCJUMTDW-KPXOXKRLSA-N	308.721	1.032	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CN(C)CC(C)(C)C)cc1	895558648	YMGOLDOSJXAYTF-UHFFFAOYSA-N	320.437	1.532	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42	793602890	ZAKAGIJXYOSAGP-KDZPWCFYSA-N	323.396	1.166	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@H]1CCC(F)(F)C1	795016329	BONGQIZCULBGQE-NSHDSACASA-N	312.316	1.821	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)NCCc1cccs1	793207053	MGEXNEQYXCDGBT-CMPLNLGQSA-N	313.423	1.682	50	20	DDGD	
C[C@@H]1CN(Cc2ccccc2)CC1=NNC(=O)C[N+](C)(C)C	794455257	DELVMCLVKOTWAM-CQSZACIVSA-O	303.430	1.317	50	20	DDGD	
C[C@@H]1COC(=O)C1=NNC(=O)c1cccc(Br)c1	794911526	HYRPHHQHCGHAPZ-SSDOTTSWSA-N	311.135	1.728	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C1CC[C@@H](C)C[C@H]1n1cncn1	794514750	NEHJBHOXYKZZFF-NOZJJQNGSA-N	301.354	1.457	50	20	DDGD	
Cc1cc(NNC(=O)Cn2ccc3ccccc3c2=O)nc(C)n1	790749223	FNIPTSDWDMMWKW-UHFFFAOYSA-N	323.356	1.552	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1ccc([S@@](C)=O)cc1	1319001952	VSSBHTNWDOWUGI-OAQYLSRUSA-N	322.415	1.535	50	20	DDGD	
CCOc1cc(C(=O)NNc2cccc(C(=O)OC)c2C)[nH]n1	1329384974	RYZNCHHHKLEADO-UHFFFAOYSA-N	318.333	1.660	50	20	DDGD	
CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)CCl)c1	1324711936	LDTUDUUMMDNVMK-UHFFFAOYSA-N	320.798	1.600	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cnc(C3CC3)[nH]2)c1F	1328168333	ROPCXEMDDQIJPK-UHFFFAOYSA-N	318.308	1.970	50	20	DDGD	
CNC[C@H](C)CNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	1328842732	VQBQQUMPLJKZKT-MRBYEJRBSA-N	303.244	1.912	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC[C@]2(CCOC2=O)C1	1339417479	VBMBQOMVVUROAR-ZANVPECISA-N	318.211	1.962	50	20	DDGD	
CC(C)[C@@H]1CCC[C@H](NC(=O)NNC(=O)C2CCNCC2)CC1	1331457362	VQVFRDZSGCXEGD-HIFRSBDPSA-N	324.469	1.921	50	20	DDGD	
CC(C)CN1CCC[C@@H]1C(=O)NNC(=O)c1cccc(Cl)n1	1336023029	BFNVVWQJZPCHHC-GFCCVEGCSA-N	324.812	1.616	50	20	DDGD	
Nc1cnnc(NNC(=O)c2nccc(Cl)c2F)c1Cl	1343128721	BCLCJLWNUJEQOR-UHFFFAOYSA-N	317.111	1.657	50	20	DDGD	
CO/C(=C/c1ccccc1)C(=O)NNC(=O)[C@H]1CCCCO1	1344402972	CPHSZIQWWYYSEY-MBFWDRTGSA-N	304.346	1.390	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NN=c2cc[nH]c(C)c2)C12CCC2	1349358260	QFXPRFDHSXEQQD-ZIAGYGMSSA-N	304.394	1.786	50	20	DDGD	
Cc1cc(C(F)(F)F)nn1CCNC(=O)NNC(=O)C(C)C	1340607930	AVNZEKGRVGPCJN-UHFFFAOYSA-N	321.303	1.197	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCC[C@@H](F)C1	1349082261	RPRCMOQUPLYFAD-MNOVXSKESA-N	324.312	1.820	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2cccc(F)c2C(=O)O)cc1O	1601092356	QCDUPJKAZOMCEF-UHFFFAOYSA-N	315.260	1.858	50	20	DDGD	
O=C(O)Cc1cccc(NC(=O)NNc2ccccc2F)n1	1602139614	GCYLEFFJPQWQHU-UHFFFAOYSA-N	304.281	1.996	50	20	DDGD	
CC(C)C[C@H](CNC(=O)NNc1ncncc1Cl)C(=O)O	1603010726	SSCYROCZRYJXDU-MRVPVSSYSA-N	315.761	1.503	50	20	DDGD	
COc1ccc(CNC(=O)NNc2ncccn2)cc1C(=O)O	1607258563	QMDFFYVRIHUIDU-UHFFFAOYSA-N	317.305	1.010	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)O)C2)c1	1600647363	DPOGCAZXJMFDKN-ITMYJUKJSA-N	323.374	1.254	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc(C(=O)O)cc1F	1606870685	ZJFHVCCCXRBCED-GHXNOFRVSA-N	306.293	1.584	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2ccc(C(=O)O)cc2F)CCO1	1604676879	QACHFAMUWJDNND-WCBMZHEXSA-N	311.313	1.718	50	20	DDGD	
O=C(O)Cn1cccc1C=NNC(=O)CCc1ccccc1O	1602166531	VSOYFDRYHGHYDT-UHFFFAOYSA-N	315.329	1.361	50	20	DDGD	
O=C(NN=C1CCC[C@H](C2CC2)C1)[C@H]1CN2CCC[C@@H]2CO1	1549320130	YLWCSLTYTKOZSW-NUEKZKHPSA-N	305.422	1.922	50	20	DDGD	
CO[C@@H]1CN[C@](C)(C(=O)N(C)NC(=O)OCc2ccccc2)C1	1573957386	QBPOCBQVJGQJGY-BBRMVZONSA-N	321.377	1.053	50	20	DDGD	
C[C@@H](Cc1ccccc1)C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1580303974	VLBYWFXRENCCER-NSHDSACASA-N	323.360	1.584	50	20	DDGD	
CC(CCC(=O)O)=NNC(=O)c1cccc(S(C)(=O)=O)c1	1592470450	KWEDKEZCJQOGRQ-UHFFFAOYSA-N	312.347	1.061	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCc2cccc(C(=O)O)c2C1	1596859602	FITGQFZKLVZZBP-ZRDIBKRKSA-N	300.314	1.713	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1C[C@H](c2ccccc2)[C@@H](C(=O)O)C1	1596859516	DDHDFHBYVTWVJV-ZDZFUCEFSA-N	314.341	1.757	50	20	DDGD	
COc1cc(C(=O)O)ccc1NC(=O)NN(C)c1ccccn1	1599373530	BLVZMZFYKQXWAP-UHFFFAOYSA-N	316.317	1.961	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccccc2C(=O)O)nc1	1598983060	ZRVNZPGPAQHFOW-UHFFFAOYSA-N	315.285	1.323	50	20	DDGD	
COc1cc(C(=O)O)ccc1C=NNC(=O)[C@H]1CCO[C@H]1C	1776082276	GVYLYOZZZDSDAK-CABZTGNLSA-N	306.318	1.269	50	20	DDGD	
Cc1ccc(C=NNC(=O)c2ccc(O)c(O)c2)c(C(=O)O)c1	1776058429	FKJUDGXZAFXYPZ-UHFFFAOYSA-N	314.297	1.868	50	20	DDGD	
CC(=NNC(=O)c1cccc(C(=O)O)c1)c1ccc(C(=O)O)o1	1776095850	YHWBKQZYJRVRIC-UHFFFAOYSA-N	316.269	1.830	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)Cc1ccc(F)cc1	15528583	JCYLKQKUPUYTQO-UHFFFAOYSA-N	316.332	1.985	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc2c(cc1F)NC(=O)CC2	157323765	LRTVUHDQGIENOV-UHFFFAOYSA-N	322.340	1.455	50	20	DDGD	
COc1ccc(NNC(=O)c2cnn(C)c2-n2cccc2)nc1	159596954	NPJDJFCIJSTDMQ-UHFFFAOYSA-N	312.333	1.371	50	20	DDGD	
CC1(C)CN(C[C@@H](CBr)C2CC2)C[C@H](CO)O1	859330788	JKGMNVQOMRQOMR-VXGBXAGGSA-N	306.244	1.879	50	20	DDGD	
Cc1cc(C(=O)N(C)NC(=O)OCc2ccccc2)n(C)n1	862286954	LCRFHRKYTZYHNM-UHFFFAOYSA-N	302.334	1.642	50	20	DDGD	
CCNC(=O)CN(CC)/C(=C/C#N)c1cccc([N+](=O)[O-])c1	7584567	POGSZKGPNFJASK-RIYZIHGNSA-N	302.334	1.917	50	20	DDGD	
N#CCc1cccc(C(=O)NNC(=O)CCc2ccccc2O)c1	171565079	NPZGXJUVTZDPJO-UHFFFAOYSA-N	323.352	1.852	50	20	DDGD	
O=C(NNC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1ccc[nH]1	119823923	JDJUKICABDFXAZ-UHFFFAOYSA-N	322.324	1.445	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1cc2c([nH]c1=O)CCCC2	109621329	MCZDEYMRSJITGN-UHFFFAOYSA-N	317.389	1.595	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cc2ccccc2oc1=O	103424768	RMNCOOOSVOUCFD-UHFFFAOYSA-N	323.308	1.192	50	20	DDGD	
O=C(Cc1ccccc1Br)NNC(=O)c1ccc[nH]1	104211440	FEQFFMXMMMXZPH-UHFFFAOYSA-N	322.162	1.781	50	20	DDGD	
Cc1ccccc1[C@H](C)CC(=O)NNC(=O)N1CCOCC1	172286754	WLRLSIATSHIBBV-CYBMUJFWSA-N	305.378	1.562	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1c(C)cc(C)[nH]c1=O	109144787	YVRXSCSNDZPPHO-UHFFFAOYSA-N	315.329	1.075	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCCN(C)C(C)C)c1ccccc1	111494147	RWSXZWDTLRMKEJ-OAHLLOKOSA-N	320.437	1.851	50	20	DDGD	
Cc1cccc2nc(CNC(=O)NNC(=O)OC(C)(C)C)cn12	69503847	QBJFFOYZJPYEJD-UHFFFAOYSA-N	319.365	1.882	50	20	DDGD	
CC1(C)[C@@H]2CN(C(=O)NNC(=O)COCc3ccccc3)C[C@H]21	173229676	FTWXTWHGGUBUJE-ZIAGYGMSSA-N	317.389	1.532	50	20	DDGD	
N#CCOc1ccc(CC(=O)NNc2nccnc2Cl)cc1	114894513	XVLFGISYISJIEV-UHFFFAOYSA-N	317.736	1.718	50	20	DDGD	
COc1ccc(CCCN(C)CC(=O)NNC(=O)C2CC2)cc1	112977552	IACRYFMIBADFEB-UHFFFAOYSA-N	319.405	1.117	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCCc2cccs2)c1	65203772	OXOOSSPXCCNSDE-UHFFFAOYSA-N	314.370	1.806	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3cn[nH]c3C)[nH]n2)cc1	171817279	UPKRCJDPAOCJLT-UHFFFAOYSA-N	324.344	1.491	50	20	DDGD	
CN(C)N(C(=O)CC1(C)CCCCC1)[C@@H]1CCS(=O)(=O)C1	119247031	CFWAXGSRKQMZSA-CYBMUJFWSA-N	316.467	1.839	50	20	DDGD	
CCc1oc2ccccc2c1C(=O)NNC(=O)N1CCOCC1	179384565	HLAJQWJPKFXDMI-UHFFFAOYSA-N	317.345	1.682	50	20	DDGD	
CC(C)Oc1cccc(CC(=O)NNC(=O)c2cnn(C)c2)c1	117680509	CZCBBJDUZAWVAZ-UHFFFAOYSA-N	316.361	1.211	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cnc(Cl)c(Cl)c2)cn1	117680847	QIXPCFOHAKWPFZ-UHFFFAOYSA-N	314.132	1.197	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cnc(Cl)c(C)c1	117228416	VGJQZSHAQRJMDV-SSDOTTSWSA-N	305.787	1.399	50	20	DDGD	
Cc1cncc(NC(=O)C(=O)NNc2ccc([N+](=O)[O-])cc2)c1	119089599	HRVZGZVLPBOGQZ-UHFFFAOYSA-N	315.289	1.380	50	20	DDGD	
CC1(C)CC(=NNC(=O)C2CCOCC2)c2sc(N)nc2C1	1353089925	QMVPPKQKAFPWOL-UHFFFAOYSA-N	322.434	1.945	50	20	DDGD	
COCC[C@@H](C)NC(=O)NNC(=O)c1cc2ccccc2o1	176072934	OXQPPZXDVUPXKH-SNVBAGLBSA-N	305.334	1.802	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNC(=O)NCC(F)(F)F)cn1	60411424	TYVOVHJBUIOXPB-UHFFFAOYSA-N	320.271	1.375	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H]1CCCc2ccccc21	68461336	XCTBTJVEIUILKW-CQSZACIVSA-N	305.378	1.473	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)c2cc[nH]c2)o1	68306842	IIVISEXMGKVCOO-UHFFFAOYSA-N	304.350	1.524	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccccc1CCC(F)(F)F	125860489	GZICFQCOOOOSQZ-UHFFFAOYSA-N	319.283	1.717	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNC(=O)Cc2cc[nH]n2)cc1	186355674	XOXQAXSJRSCUDN-UHFFFAOYSA-N	301.306	1.008	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNc2nnc(C3CC3)s2)C1	184467994	QPYOZAGTLRIDQN-SECBINFHSA-N	309.395	1.117	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccc(Br)o1	122517860	SCCJJUIYQIIQLG-UHFFFAOYSA-N	301.075	1.728	50	20	DDGD	
Cc1cc(Cl)ncc1NC(=O)C(=O)NNC(=O)C(C)(C)C	184498873	PWIBRRFIKPWGFY-UHFFFAOYSA-N	312.757	1.175	50	20	DDGD	
CCc1nn(C)c(CC)c1CNC(=O)NNc1ccccn1	128817825	DYGAFCKECOQLKF-UHFFFAOYSA-N	302.382	1.766	50	20	DDGD	
CCCn1cc(C(=O)NNc2ccc(C(F)(F)F)nn2)cn1	183314116	DRLHTUIBGSXDET-UHFFFAOYSA-N	314.271	1.859	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc(-c2ncco2)cc1	187664646	LILAJUHALJNPEU-UHFFFAOYSA-N	303.322	1.056	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H]1COc2cc(C)c(C)cc21	184491474	LLRUHCZAVZFZHB-LBPRGKRZSA-N	314.345	1.721	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2ccc(C)n2C)cc1	78771608	IAFVKSOEGSOZOU-UHFFFAOYSA-N	316.361	1.215	50	20	DDGD	
C[C@H](O)C(=O)NNC(=O)COc1ccccc1-c1ccccc1	136078700	VAZAHSBVSNLNBG-LBPRGKRZSA-N	314.341	1.261	50	20	DDGD	
CO[C@@]1(C)C[C@H](NC(=O)NNC(=O)c2ccccc2)C1(C)C	80604617	XZEZIEGZOBWJTL-LRDDRELGSA-N	305.378	1.834	50	20	DDGD	
CCCOCC(=O)NNC(=O)Cc1ccc2ccccc2c1	132671574	DFKPXSHNWFEYFM-UHFFFAOYSA-N	300.358	1.956	50	20	DDGD	
CCO[C@H](CNC(=O)NNC(=O)c1ccc[nH]1)c1ccccc1	195176680	UOFCQTLPWJCSLZ-CQSZACIVSA-N	316.361	1.737	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(Cl)ccc1F	49198068	MNSQFARNGIAVFB-UHFFFAOYSA-N	303.721	1.460	50	20	DDGD	
CS[C@@H](C)C(=O)NNC(=O)Cc1nc2ccccc2n1C	43006257	RMZQSQRYLMWCNZ-VIFPVBQESA-N	306.391	1.015	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc(F)c(F)c1F	48654780	WXVWSNFVFHWLIQ-ZCFIWIBFSA-N	310.297	1.460	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CCc2ccccc2)n(C)n1	195147459	LQWAQCLOUFMFQT-UHFFFAOYSA-N	301.350	1.514	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)c2ccc(Cl)nc2)c1C1CC1	140438560	IQNFWODNPZSINT-UHFFFAOYSA-N	319.752	1.421	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)CN1Cc2ccccc2C1=O	264359568	GEDFBNVXHQYCKA-UHFFFAOYSA-N	315.373	1.370	50	20	DDGD	
Cc1ccc(N2CCCC2)c(C(=O)NNC(=O)c2ccc[nH]2)c1	265271438	OLUVPJLXJHODFJ-UHFFFAOYSA-N	312.373	1.998	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C	265949206	HAMYGDBFCTYMBH-MGPQQGTHSA-N	317.389	1.753	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1c[nH]c2ccccc12)[C@@H]1CCOC1	266481932	CDCDQVVEENVCEU-GHMZBOCLSA-N	316.361	1.537	50	20	DDGD	
CCC(CC)n1ccc(C(=O)NNc2ncnc3nc[nH]c23)n1	269550517	TWOAZRNAVJFOIF-UHFFFAOYSA-N	314.353	1.667	50	20	DDGD	
CC1(CNC(=O)NNC(=O)c2ccccc2F)CCOCC1	267814422	FCUJPKUTKGUKNN-UHFFFAOYSA-N	309.341	1.586	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)COC2CCCC2)c1	264045294	WQQRDZJGKPWYER-UHFFFAOYSA-N	321.377	1.214	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)CC3CCCCCC3)nc21	269305442	LNXWHNIDMUCGBY-UHFFFAOYSA-N	318.381	1.873	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)c2ccccc2C)C1	266764620	OFVSJTDDHKCWGJ-QWHCGFSZSA-N	318.373	1.735	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)N1CCN(C)CC1)c1ccccc1	278525081	CLXNXXYMKZDQOQ-ZDUSSCGKSA-N	304.394	1.168	50	20	DDGD	
COC(=O)CCSc1cccc(NC(=O)NNC(C)=O)c1	274181202	KGBMMNHPTLVUSB-UHFFFAOYSA-N	311.363	1.514	50	20	DDGD	
CC(C)=CCCNC(=O)NNC(=O)COc1ccccc1C#N	276667726	CZRDTGDZJZDVFI-UHFFFAOYSA-N	316.361	1.624	50	20	DDGD	
CCCC[C@@H](NNC(=O)COc1ccccc1OC)C(=O)OC	270541709	CHXDWROUWLFWPD-GFCCVEGCSA-N	324.377	1.427	50	20	DDGD	
Cc1nnc([C@H](C)NC(=O)NNC(=O)c2ccccc2C)s1	273838848	GPCMVMRGCLXONA-VIFPVBQESA-N	319.390	1.860	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ncccc1OCCCC#N	276062348	KOPDVVNDPWBNFP-UHFFFAOYSA-N	319.365	1.963	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1	276800341	YCBCIXGTJQVDRJ-LBPRGKRZSA-N	314.345	1.475	50	20	DDGD	
CC(C)=CCCNC(=O)NNC(=O)CNC(=O)c1cccs1	276899310	UMBLRHXMDNZTQG-UHFFFAOYSA-N	324.406	1.165	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNC(=O)c3ccccc3)(CC1)C2	377305129	CKQPMGWPYPWSTM-UHFFFAOYSA-N	316.357	1.571	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NNc1ccc(OC)cn1	281814430	OCRNUYLLHRUQFS-FZMZJTMJSA-N	306.366	1.698	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NNc2ncccc2F)C1	285905678	HVUHDAXLDQNZNN-RYUDHWBXSA-N	322.384	1.949	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)CNc1ccccc1OC	280065048	UBNUNHCAVKZZEL-HNNXBMFYSA-N	309.366	1.070	50	20	DDGD	
CS[C@@H](C(=O)NNC(=O)N1CCN(C)CC1)c1ccccc1	287722954	GGNZWIAJRHQSDF-CYBMUJFWSA-N	322.434	1.079	50	20	DDGD	
O=C(NNc1ccc(F)cc1)[C@@H]1COCCN1CC(F)(F)F	282880676	FGKNDTLAGPSTMZ-NSHDSACASA-N	321.274	1.532	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNc1nc(O)c2ccccc2n1	282172659	KVTAVJGCKQTKPY-SBMIAAHKSA-N	302.334	1.592	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H]2O[C@H](C)C[C@H]2C)c1	282798313	WXTLJSTUGGTXOU-XJKCOSOUSA-N	320.389	1.643	50	20	DDGD	
O=C(CC1CCC2(CC1)OCCO2)NNc1ncccc1F	286156328	YVAAYOHYYWYBHB-UHFFFAOYSA-N	309.341	1.987	50	20	DDGD	
Cc1noc([C@@H]2CCCN2C(=O)NNC(=O)c2ccccc2)n1	286859922	ZLACZZDGIMMUBO-LBPRGKRZSA-N	315.333	1.570	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC2CCCC2)cc([N+](=O)[O-])c1	299303652	AJAPEUVBAHAVKI-UHFFFAOYSA-N	306.322	1.790	50	20	DDGD	
COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NNc2nnc[nH]2)c1	293935160	NWCPJITYKWSYQL-GXSJLCMTSA-N	303.322	1.069	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	295297314	DWBMSFKTAVPBOE-HNNXBMFYSA-N	318.373	1.674	50	20	DDGD	
CCNC(=O)[C@@H](NC(=O)NNc1cccc(Cl)n1)C(C)C	292835643	QCCXYMTUOOJMOZ-NSHDSACASA-N	313.789	1.522	50	20	DDGD	
Cc1ccccc1NCCC(=O)NNC(=O)N=c1cc[nH]cc1	802034067	YZKNDRCCUHDHFH-UHFFFAOYSA-N	313.361	1.467	50	20	DDGD	
CCO[C@@H](C)C(=O)NNc1nc2ccccc2c(=O)n1CC	298873738	PHQKCYFFDDPJNM-JTQLQIEISA-N	304.350	1.285	50	20	DDGD	
CC(C)C[C@H]1OCCC[C@@H]1NC(=O)NNc1ncncc1F	292959968	HKVBGHSDTDFPMP-NWDGAFQWSA-N	311.361	1.836	50	20	DDGD	
N#Cc1cccc(OCC(=O)NNC(=O)Nc2ccccc2)c1	801986742	UCPFVEUDVLXSRM-UHFFFAOYSA-N	310.313	1.790	50	20	DDGD	
Cc1nnc(COCC(=O)NNC(=O)Nc2ccccc2)s1	803392413	GPGJCTLBXCSQPR-UHFFFAOYSA-N	321.362	1.216	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)s1	291238563	XHYRYFAAFPOUIX-UHFFFAOYSA-N	304.271	1.316	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)C2CCC2)OCCc2sccc21	291352717	YACWXIDJEHYVAU-OAHLLOKOSA-N	323.418	1.667	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)[C@@H](C)OCCOC)[C@@H]1SC	807975612	WACRGLZNMGQWLJ-JLLWLGSASA-N	304.412	1.051	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@](O)(CC)c1cccc(Cl)c1	800462532	HRSKNZFTTZGYND-CQSZACIVSA-N	313.785	1.678	50	20	DDGD	
CC(C)Oc1ncccc1C(=O)NNC(=O)CC(F)(F)F	806536627	HOIGEMXOLLURIZ-UHFFFAOYSA-N	305.256	1.582	50	20	DDGD	
COCCN(C)NC(=O)c1cc(OC)ccc1Br	808074538	YOOAHVIDSSLZIE-UHFFFAOYSA-N	317.183	1.681	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1n[nH]c2c1CCCCC2	295604917	QDLJQPIJTGWJEN-LBPRGKRZSA-N	306.366	1.009	50	20	DDGD	
CC(C)(O)[C@@H]1CCCN(S(=O)(=O)CBr)C1	719643576	QWXCDHXQLLDTHP-MRVPVSSYSA-N	300.218	1.152	50	20	DDGD	
CCOC(=O)Oc1ccc(C(=O)NNC(=O)CC2CC2)cc1	819126264	LNNLKOXSQLFKLX-UHFFFAOYSA-N	306.318	1.783	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C(C)C1CCN(C)CC1	814712096	IXSDDIVMDBPKIT-UHFFFAOYSA-N	318.421	1.941	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNc3ncncc3F)(CC1)C2	817077311	DQZIDEDEKAQUTD-UHFFFAOYSA-N	308.313	1.182	50	20	DDGD	
CCc1nc(C(C)C)ccc1C(=O)NNC(=O)c1c[nH]nc1C	815506232	QELFPFBDQLMQBN-UHFFFAOYSA-N	315.377	1.874	50	20	DDGD	
C[C@@]1(NS(=O)(=O)c2ccc(CCCl)cc2)CCOC1=O	810101862	DCRYOQQVCOXCHG-CYBMUJFWSA-N	317.794	1.452	50	20	DDGD	
CO[C@@H](C)[C@@H](C)NC(=O)NNC(=O)c1cn(C)c2ccccc12	811850751	DJLCYZSTRZTAAH-MNOVXSKESA-N	318.377	1.546	50	20	DDGD	
Cc1cc(C#N)cnc1C(=O)NNc1cnc2ccccc2n1	816114787	RWJBBJHVAUQCMG-UHFFFAOYSA-N	304.313	1.962	50	20	DDGD	
Cc1c(C(=O)NCCCSC#N)cnn1C1CCOCC1	819699207	VDDRLIRFWGHCMW-UHFFFAOYSA-N	308.407	1.877	50	20	DDGD	
O=C(C[C@H]1CCC(=O)N1)NNC(=O)C12CC3CC(CC(C3)C1)C2	816815874	GISGQAAAAUMTDA-CQCMJFKXSA-N	319.405	1.019	50	20	DDGD	
CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NN(C)C1CC1	819643089	WUHJJPTVICRWJJ-MRXNPFEDSA-N	301.390	1.648	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CCc2cncs2)cc1	816596525	GGVIYDLTUDPNEG-UHFFFAOYSA-N	320.374	1.937	50	20	DDGD	
CNc1ccc(Cl)c(C(=O)NNC(=O)c2cccnc2)c1	816818197	UETKSORBJFRBQJ-UHFFFAOYSA-N	304.737	1.852	50	20	DDGD	
O=C(NN=Cc1cccs1)C1CCN(c2ncccn2)CC1	728783451	PZXAGYZZJVAYMX-UHFFFAOYSA-N	315.402	1.905	50	20	DDGD	
Cn1cc(/C=C\C(=O)NNC(=O)Cn2ccc3ccccc32)cn1	729449946	LPRQUXDQBUWVHB-SREVYHEPSA-N	323.356	1.236	50	20	DDGD	
Cc1cc(C)n(-c2ccc(CC(=O)NN(C)[C@@H](C)CO)cc2)n1	823970938	NCZQYZFPGRZFMT-AWEZNQCLSA-N	316.405	1.375	50	20	DDGD	
CN(CCc1ccccc1)CC(=O)NNc1ncncc1F	823124363	FGBXBMKSPGCMJD-UHFFFAOYSA-N	303.341	1.233	50	20	DDGD	
CCNC(=O)COc1ccc(C=NN(C)C(=O)OC)cc1OC	495750220	ZKELRCFXCMCUHF-UHFFFAOYSA-N	323.349	1.242	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)c1	824044541	SRQHKWIOYGSXCH-TYNCELHUSA-N	317.389	1.691	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)Cc1ccc(C)cc1	726077495	XRJZECRBFDEOSC-UHFFFAOYSA-N	309.435	1.412	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCc1ncc(-c2ccccc2F)o1	823982570	AZAUJROVPFPKHL-NSHDSACASA-N	321.352	1.757	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1nc2c(s1)CCC2	726874117	IXVPVFXRAPLCQL-UHFFFAOYSA-N	305.363	1.437	50	20	DDGD	
COC(=O)NNC(=O)C1CCC(NC(=O)C2CCCC2)CC1	495409055	WBTKRQFOWSNCAD-UHFFFAOYSA-N	311.382	1.239	50	20	DDGD	
O=C(NC[C@@H]1CN2CCC[C@H]2CO1)NNc1ccccc1Cl	729618980	NQGYNWKRKHHRGO-NWDGAFQWSA-N	324.812	1.829	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	490539423	BIJQVLBIUZDZNS-UHFFFAOYSA-N	323.714	1.188	50	20	DDGD	
CN(NC(=O)[C@@H]1C[C@@]12CCN(C(=O)OC(C)(C)C)C2)C1CC1	496165393	DAOCPFBJTFOXRW-BLLLJJGKSA-N	309.410	1.759	50	20	DDGD	
O=C(NC[C@@H]1COCCO1)NNc1ccc(OC(F)F)cc1	726706902	JXRJURPEPNBEDM-LLVKDONJSA-N	317.292	1.330	50	20	DDGD	
CC(C)[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CCS1	827289331	ROAMVMNTMSDDOV-UTUOFQBUSA-N	315.439	1.226	50	20	DDGD	
CCN(CCO)NC(=O)c1ncccc1Oc1ccccc1	823885156	YHHHVSKRVUGAOI-UHFFFAOYSA-N	301.346	1.833	50	20	DDGD	
Cc1ncccc1C=NNC(=O)C1CCN(c2ncccn2)CC1	728782760	RGHRSOJWSWIPFY-UHFFFAOYSA-N	324.388	1.547	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=C1CCOC[C@H]1C	495993472	QIQQGARECUBNQQ-DGCLKSJQSA-N	323.393	1.432	50	20	DDGD	
COC(=O)N1CCN(C(=O)[C@H](Br)C(C)(C)C)CC1	495448270	NCHXCLGMCCISHN-VIFPVBQESA-N	321.215	1.707	50	20	DDGD	
CN(NC(=O)[C@](C)(O)c1ccc(F)cc1)C(=O)OC(C)(C)C	822508097	VMYCURPUJUBBFH-OAHLLOKOSA-N	312.341	1.931	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1ccc2c(c1)OCO2	823328052	YPXQRNFTRNQZBB-UHFFFAOYSA-N	313.313	1.288	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCO[C@H](c3ccccc3)C2)cc1	585036274	HAKZUDXAKPXXHR-MSOLQXFVSA-N	311.190	1.376	50	20	DDGD	
CC(C)CN1CCC(NC(=O)/C(C#N)=C\c2cnn(C)c2)CC1	491052123	UTOOKZYHTILYBM-NVNXTCNLSA-N	315.421	1.564	50	20	DDGD	
CC[C@@H](C)[C@@H](NC(=O)NNC(=O)c1cc[nH]n1)C(F)(F)F	822983008	VKZGMTIBTJMBJZ-HTRCEHHLSA-N	307.276	1.331	50	20	DDGD	
CCOc1ccc(OC(C)(C)C(=O)NN(C)C(=O)OC)cc1	495694287	ZRSUDEMLDTUDEC-UHFFFAOYSA-N	310.350	1.972	50	20	DDGD	
CCCCO[C@H]1C[C@@H](NCC(=O)NNC(=O)C2CC2)C1(C)C	829678004	VSXMWWSOPCIYHG-OLZOCXBDSA-N	311.426	1.117	50	20	DDGD	
CC(C)(C)Oc1ccc(CNCc2ccc(B(O)O)cc2)cn1	585033750	JQJWRZAKGDGIAA-UHFFFAOYSA-N	314.194	1.229	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](COC(=N)O)Cc1ccccc1	490971024	IGZYIJPBIMOYNG-UELRPHRMSA-N	317.345	1.667	50	20	DDGD	
CCOc1ccc([N+](=O)[O-])cc1C=NNC(=O)c1c[nH]nc1C	735411856	YJIOWLKDRYZAID-UHFFFAOYSA-N	317.305	1.789	50	20	DDGD	
CC(C)(CNCc1ccc(B(O)O)cc1F)Oc1ccccc1	585028365	KBFJMWQICSHOJN-UHFFFAOYSA-N	317.169	1.453	50	20	DDGD	
CCN(CCO)NC(=O)c1c(C(F)F)nc2n1CCCC2	823902780	VRLHXVIQODMAHW-UHFFFAOYSA-N	302.325	1.116	50	20	DDGD	
C[C@H]1CCCCC1=NNC(=O)CSc1nnc(O)nc1O	730556552	OGETTWLBVMPPIM-ZETCQYMHSA-N	311.367	1.057	50	20	DDGD	
CC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(B(O)O)cc1	584952082	LXWWZGYBJRPARY-QGZVFWFLSA-N	311.190	1.460	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)CSc2ccccc2O)CCCCO1	837507428	VLTYKJKZGMQRBE-HNNXBMFYSA-N	324.402	1.591	50	20	DDGD	
CC(C)(CO)N1CCN(C(=O)[C@]2(C)C[C@H]2Br)CC1	907144860	QZHUOZFMQNREDR-ZWNOBZJWSA-N	319.243	1.075	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)OCC2CC2)cc(-c2nn[nH]n2)n1C	737212159	IBSUBOBBMUQHRS-LFYBBSHMSA-N	312.333	1.374	50	20	DDGD	
CCC[C@H](C=NNC(=O)c1nnc(O)c2ccccc12)OC	834926543	PZYANPLCEDLUDS-SNVBAGLBSA-N	302.334	1.866	50	20	DDGD	
Cn1nc(Br)cc1C=NNC(=O)[C@H]1CCCCO1	834985441	ICHXLDVQOGDEQZ-SECBINFHSA-N	315.171	1.202	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Cn1cc(C)cn1)c1ccccc1	731996773	DXOYTONXJSBRIZ-AWEZNQCLSA-N	300.362	1.533	50	20	DDGD	
C[C@@]1(C(=O)NCC2(C(N)=O)CCCC2)C[C@@H]1Br	906708332	BHINXDOWACTCQC-GZMMTYOYSA-N	303.200	1.322	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNC(=O)c2ccc(CC)cc2)CC1=O	839464468	IUIHXIYFLLGMJI-AWEZNQCLSA-N	317.389	1.269	50	20	DDGD	
O=C(CN1CCSC[C@H]1C1CC1)NNC(=O)c1ccccc1	831773510	POUKGWZEDJZBSY-AWEZNQCLSA-N	319.430	1.275	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)[C@@H]1CC(=O)N(C2CC2)C1	733810838	CMZNALGQXVSSOO-SNVBAGLBSA-N	311.345	1.084	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CCn1cnc2ccccc21	731783837	GVKBRCBBKMBQFY-UHFFFAOYSA-N	319.434	1.720	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)cn1	732711257	GOBWFMNQZJXEMV-UHFFFAOYSA-N	316.321	1.718	50	20	DDGD	
CC[C@@H](NC(=O)NNc1ncc(F)cc1F)[C@@H]1CCCO1	838535034	LLDFROWQTCPRMN-MNOVXSKESA-N	300.309	1.944	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)NC[C@H]1C[C@H]2CC[C@H]1C2	836268525	LSRJQPVSOLUYGH-SDDRHHMPSA-N	303.366	1.275	50	20	DDGD	
O=S(=O)(CBr)N[C@@H]1CCOc2c(F)cccc21	907445067	OUHNMWXABHMWMQ-SECBINFHSA-N	324.171	1.921	50	20	DDGD	
C[C@]1(C(=O)N[C@@H](CO)CN2CCCCC2)C[C@@H]1Br	908118559	MTJTWJBDEJNVNG-MDZLAQPJSA-N	319.243	1.123	50	20	DDGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2cnn[nH]2)c1C	734256949	VNEFHLZKTLBNQR-UHFFFAOYSA-N	310.321	1.030	50	20	DDGD	
C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)C1CCC1	838393902	HIIXCOSZQGWWJA-LLVKDONJSA-N	304.346	1.427	50	20	DDGD	
C[C@]1(C(=O)N2CCN(c3ccncc3)CC2)C[C@@H]1Br	905360088	SHCSHJXFTLFVOP-JSGCOSHPSA-N	324.222	1.904	50	20	DDGD	
Cc1c(F)ccc2c1N(CC(=O)NNC(=O)C(C)C)CCC2	832755988	IPBOJZMIEDXZMU-UHFFFAOYSA-N	307.369	1.690	50	20	DDGD	
CC(C)CC(=O)NCCC(=O)NNc1cccc(C(=O)O)c1	833474599	ZNUSRMDIRPYXFW-UHFFFAOYSA-N	307.350	1.380	50	20	DDGD	
CCN(CC(=O)NNC(=O)Cc1ccccc1C)C1CCC1	839498225	REXDECXJMPVWOF-UHFFFAOYSA-N	303.406	1.559	50	20	DDGD	
CC[C@H](c1ccncc1)N(C)C(=O)c1ccc(B(O)O)c(F)c1	584947987	AYXQHEXBKSUCQB-OAHLLOKOSA-N	316.141	1.124	50	20	DDGD	
COCCCCNC(=O)NNC(=O)Nc1cc(F)cc(F)c1	836223153	VZBUHWNSYZIIFD-UHFFFAOYSA-N	316.308	1.727	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNc1cc(F)c(F)cc1F	839683143	KXTXJXOFVZVWGA-SSDOTTSWSA-N	303.284	1.695	50	20	DDGD	
O=C(CN(C1CCCC1)C1CC1)NNC(=O)c1ccc(F)cc1	839485964	FAFOGVBJBIGERJ-UHFFFAOYSA-N	319.380	1.994	50	20	DDGD	
CC(=NNC(=O)[C@H]1COc2ccccc2O1)c1cn(C)nc1C	917535153	XZLGCDLNQRHXGV-OAHLLOKOSA-N	314.345	1.409	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1	910148511	TWLQASKMMORPKW-VXGBXAGGSA-N	311.813	1.510	50	20	DDGD	
COC(=O)NN=C1C(=O)Nc2cc(OC(F)(F)F)ccc21	915049044	PLLMHPIGWSSAPD-UHFFFAOYSA-N	303.196	1.597	50	20	DDGD	
O=C(Cc1ccncc1)NN=Cc1ccc([N+](=O)[O-])c(O)c1	747640757	JJUNOGJLFVHOIH-UHFFFAOYSA-N	300.274	1.388	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1ccc(F)c(F)c1	916361767	FQNOIYYYJQNLCW-LLVKDONJSA-N	311.332	1.383	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1cccn1C)NC(=O)OC(C)(C)C	742490412	XADONOMUQRCUBE-JTQLQIEISA-N	324.381	1.089	50	20	DDGD	
CCCN(CC(=O)NNC(=O)c1cccc(C#N)c1)C(C)C	847023245	BCCMVEBKKVYMDA-UHFFFAOYSA-N	302.378	1.440	50	20	DDGD	
Cc1nc(CCNC(=O)NNc2cncc(Cl)n2)cs1	916254526	GFHXFHLTIDQOND-UHFFFAOYSA-N	312.786	1.764	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)NOCc1cccnc1	746811175	KVRUWGYIMNHTQU-UHFFFAOYSA-N	316.346	1.844	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c1	748049890	LPTARROXNSMHMJ-UHFFFAOYSA-N	323.356	1.879	50	20	DDGD	
COc1ccc(CC(C)=NNC(=O)c2ncccn2)cc1OC	841662209	LFSDHLXLAOOPKD-UHFFFAOYSA-N	314.345	1.842	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCO[C@H]1c1ccncc1)NC1CCCC1	845321024	IVVBZRIYPDEMKR-KGLIPLIRSA-N	318.377	1.432	50	20	DDGD	
Cc1c(C(=O)NNC(=O)Cc2ccc3ccccc3c2)nnn1C	743310624	AGOKIDGEGASRBE-UHFFFAOYSA-N	323.356	1.280	50	20	DDGD	
Cc1nn(C)c(C)c1[C@H](C)C(=O)NNc1ccnc(N(C)C)n1	740103381	PIVGUCRVNYOHIM-VIFPVBQESA-N	317.397	1.140	50	20	DDGD	
CN1CCC(CC(=O)NNc2cc(O)nc3ncccc23)CC1	913991627	ZJPMUKGDNWDIDO-UHFFFAOYSA-N	315.377	1.510	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)c2ccc(OC)c(OC)c2)[C@H]1OC	841605849	WOWNBIJLRHGSQM-HUUCEWRRSA-N	322.361	1.613	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1cccc(N(C)C)c1)n1ccnc1	844279776	FSOJDPNPDOZXFV-LBPRGKRZSA-N	315.377	1.361	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H]1CCCCN1Cc1ccccc1	746095756	ALONIYWYMWHVBI-OAHLLOKOSA-N	303.406	1.845	50	20	DDGD	
COc1cccc([C@H](C)CC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	843653917	OZOALVLXEBANIX-JMSVASOKSA-N	320.389	1.761	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)N2CCOCC2)C[C@@H]1C	758115677	HHESIOWIWRXMEV-WCQYABFASA-N	311.382	1.384	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](C)[C@H]2CN(C)CCO2)cc1F	853877033	PLKQANBCGXVVQW-SMDDNHRTSA-N	310.373	1.479	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C	854928680	KIIVBEMMSZBJIH-VIFPVBQESA-N	317.455	1.458	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1cccc2c1OCC2	927536302	HFBRSHZCLCIFNK-UHFFFAOYSA-N	305.378	1.888	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)c1ccn(CC(F)F)n1	857533671	HYRKLOMVSMEEAX-UHFFFAOYSA-N	303.219	1.578	50	20	DDGD	
O=C(CC1CCCC1)NCC(=O)NNc1ncc(Cl)cn1	857356469	MCIFREVTRJDJQX-UHFFFAOYSA-N	311.773	1.270	50	20	DDGD	
C[C@]1(CNC[C@@H](O)COC2CCOCC2)C[C@@H]1Br	857241319	UPPTXGAOPMTOMA-KGYLQXTDSA-N	322.243	1.306	50	20	DDGD	
CNC(=O)NN=Cc1csc(COc2ccc(OC)cc2)n1	920378024	RVUGZAVWFZHJAT-UHFFFAOYSA-N	320.374	1.994	50	20	DDGD	
C[C@](CO)(NC(=O)NC[C@@]1(C)C[C@H]1Br)C1CC1	856955814	ZKOHSRMAYMCTSB-YUSALJHKSA-N	305.216	1.620	50	20	DDGD	
Cc1sc(=O)n(CC(=O)NNc2ccnc(Cl)c2)c1C	855469017	PVPNJPYVTWCRTC-UHFFFAOYSA-N	312.782	1.718	50	20	DDGD	
CCc1ccc(CCC=NNC(=O)CN2CCCC2=O)cc1	758083414	JSZLCXFKILYGEV-UHFFFAOYSA-N	301.390	1.906	50	20	DDGD	
N#Cc1ccc(Br)c(NNC(=O)C[C@H]2CC(=O)N2)c1	855615186	BSMQRXMBBNWAKD-MRVPVSSYSA-N	323.150	1.042	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ncoc1C(F)(F)F)C1CC1	855097086	JCJINASQUPFJMW-RXMQYKEDSA-N	322.312	1.601	50	20	DDGD	
CO[C@@]1(CNC(=O)NNc2c(F)cc(F)cc2F)CCOC1	921984543	IJPCXBKFRPKZTP-CYBMUJFWSA-N	319.283	1.536	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@]2(C)C[C@H]2Br)nn1	856899384	NVGSGDLXWNYYPF-LDYMZIIASA-N	314.187	1.585	50	20	DDGD	
CCCNC(=O)CCNC(=O)NC[C@@]1(C)C[C@H]1Br	856827331	PVJGMGFTBSQGOX-BXKDBHETSA-N	320.231	1.375	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)C(F)(F)c2nccs2)cc1	756817307	GZDXQULAPSQNBB-UHFFFAOYSA-N	322.296	1.568	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H](C)c2cn(C)nc2C)c1	858183853	GVMIOJZNZHJBSP-SECBINFHSA-N	321.406	1.804	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNc1ccc(C)c(C(=O)OC)c1	857264127	OFWGQUSJUSUMIN-GFCCVEGCSA-N	322.361	1.814	50	20	DDGD	
CNC(=O)NN=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	920378910	HAJGJJGCEGSIHK-UHFFFAOYSA-N	305.338	1.848	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccc3ccccc3n2)nn1C	757753880	OQUORVIKHUATTQ-UHFFFAOYSA-N	324.344	1.743	50	20	DDGD	
CN(NC(=O)CNC(=O)c1cccc(F)c1)c1ccccc1	920861731	HRBHXWADCYBVDU-UHFFFAOYSA-N	301.321	1.723	50	20	DDGD	
C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)NNc1ccncn1	852702326	CMUICCJKVYBXHA-SNVBAGLBSA-N	324.385	1.358	50	20	DDGD	
C[C@]1(CNC(=O)NCC2(O)CCOCC2)C[C@H]1Br	856956977	XQUHRNOOLKBALH-MWLCHTKSSA-N	321.215	1.001	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NC[C@@]1(C)C[C@@H]1Br	857395353	SAGVNCNYALBUTQ-QPUJVOFHSA-N	306.200	1.865	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCC1(F)F)c1cccc(F)n1	856426586	BFXQNBCZBVDGPZ-MRVPVSSYSA-N	301.268	1.807	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2C[C@H](C)Cc3c[nH]nc32)n1	857862848	LZUVMLSLSHVZBX-MWLCHTKSSA-N	301.350	1.623	50	20	DDGD	
Cc1nnc(CN(C)C(=O)NNC(=O)c2ccccc2C)o1	851917100	SIEMUASNVJTOBR-UHFFFAOYSA-N	303.322	1.173	50	20	DDGD	
COC(=O)c1coc(C=NNC(=O)CCN2CCCCCC2)c1	758084188	MYGRHNRQJQGUJD-UHFFFAOYSA-N	321.377	1.782	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1cccc(C(=O)OC)c1C	855628164	PKQSMBSDCKDSMI-UHFFFAOYSA-N	323.349	1.361	50	20	DDGD	
CCOCCOCCCC(=O)NNc1nc2ccccc2[nH]1	857167101	UNCLQACDWXIGDN-UHFFFAOYSA-N	306.366	1.839	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C	861764979	HRWSOXGDDWPUFR-BUWBCJGYSA-N	320.389	1.445	50	20	DDGD	
CCc1ncc(S(=O)(=O)NNC(=O)c2ccccc2)s1	763372988	GNENGZZZNZGZHE-UHFFFAOYSA-N	311.388	1.329	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NNc1cccc(F)c1Cl	862506055	ITUVZJUSGCQMJJ-UHFFFAOYSA-N	308.762	1.747	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccccc2F)ns1	767414701	HAZUPJBKRXEACT-UHFFFAOYSA-N	309.322	1.431	50	20	DDGD	
Cc1cc(C)c(NC(=O)C(=O)NNC(=O)C(C)C)c(Cl)c1	763817568	ORHIDYOKKYLMPP-UHFFFAOYSA-N	311.769	1.699	50	20	DDGD	
CC(C)(C)Oc1cccc(CNC(=O)NNc2cccnn2)n1	767285147	BPAIEILYVIMQRK-UHFFFAOYSA-N	316.365	1.875	50	20	DDGD	
COc1cc(C=NNC(=O)c2cn[nH]c2)c2c(c1)C[C@H](C)O2	863154639	HLJZOJYIPMNWNH-VIFPVBQESA-N	300.318	1.506	50	20	DDGD	
CN(C(=O)OC(C)(C)C)C1(C(=O)NNc2ccncn2)CCC1	861872489	RLOIOUGBZLASLI-UHFFFAOYSA-N	321.381	1.709	50	20	DDGD	
CC[C@@H](NC(=S)NNC(=O)c1cn[nH]c1)c1cccs1	863204918	NGHWNSIHBZZRHJ-SECBINFHSA-N	309.420	1.731	50	20	DDGD	
CC(=O)c1cccc(OCC(=O)NNC(=O)c2ccncc2)c1	865897854	ZXYGCWXFBWTZRI-UHFFFAOYSA-N	313.313	1.124	50	20	DDGD	
CCN(CC)C(=O)[C@H](NNC(=O)c1cn[nH]c1)c1ccccc1	863378237	ADTVIPCNVIHRQY-CQSZACIVSA-N	315.377	1.254	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNc2nccnc2C(C)C)n1	867850661	HOLBVILSGSPPOV-NSHDSACASA-N	302.382	1.884	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccccc1Oc1cccnc1	768259196	GBEONNFWPOWDKE-UHFFFAOYSA-N	315.329	1.406	50	20	DDGD	
COc1nccnc1NNC(=O)N[C@](C)(C1CC1)C(F)(F)F	933580650	IJLQXHVUGOTIFR-LLVKDONJSA-N	319.287	1.842	50	20	DDGD	
O=C(CCOC1CCOCC1)NNc1nc2ccccc2[nH]1	768500025	KCOLBFLIANIXLC-UHFFFAOYSA-N	304.350	1.592	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cc(C(F)(F)F)ccc1Cl	861205250	ACANAZQBBDZZSB-UHFFFAOYSA-N	324.686	1.891	50	20	DDGD	
CC(C)C(=O)NNC(=O)COc1ccccc1Br	763464858	FMUKWSGTTDSHBB-UHFFFAOYSA-N	315.167	1.631	50	20	DDGD	
O=C(NN=Cc1c(F)ccc(F)c1Cl)N1CCOCC1	863085040	SKCBLBGILJFANY-UHFFFAOYSA-N	303.696	1.994	50	20	DDGD	
COCCOCC(=O)NNC(=O)[C@@H](C)c1ccc(Cl)s1	869909970	NFAJUILVXCSVJL-QMMMGPOBSA-N	320.798	1.315	50	20	DDGD	
CCNC(=O)N(C)N=Cc1ccc(O[C@H](C)C(=O)OC)cc1	769594339	MSKWSPIKKNJQKG-LLVKDONJSA-N	307.350	1.622	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NOCC(F)(F)F	765769131	RIPFESXYFUPPIZ-UHFFFAOYSA-N	307.228	1.133	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NN=C1CCC[C@@H]1F	872352137	FKQSBGANUGPOFP-VIFPVBQESA-N	302.350	1.688	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cncc(N2CCCC2)n1	878717293	ZOHHRBHRWWSZBB-UHFFFAOYSA-N	305.382	1.274	50	20	DDGD	
CC(C)c1noc(CCNC(=O)NNc2cccc(F)n2)n1	1117327134	WJWNLCARVRGGCD-UHFFFAOYSA-N	308.317	1.596	50	20	DDGD	
CNC(=O)c1ccc(C(=O)NNc2c(C)cccc2F)cn1	771707911	TUEUCJRCBYJHSE-UHFFFAOYSA-N	302.309	1.646	50	20	DDGD	
COC[C@@H](C)NC(=O)NNC(=O)c1nc2ccccc2s1	871631239	MCXQEMRUQCBXCT-MRVPVSSYSA-N	308.363	1.275	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)N(C2CC2)C2CC2)C[C@H]1Br	1118836093	CGHSFDQCMMVORZ-MFKMUULPSA-N	315.211	1.430	50	20	DDGD	
Cc1ccc(C(=O)NNc2nc(O)c3cnn(C)c3n2)cc1F	770974439	UNXDTOSLNPNVQY-UHFFFAOYSA-N	316.296	1.273	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCC=C(Cl)C2)c1	878792740	XHHOINJMXVVLMN-UHFFFAOYSA-N	307.781	1.584	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1ccc(F)c([N+](=O)[O-])c1)C(C)C	771595902	KWJJVLRPDVCMMF-GFCCVEGCSA-N	312.301	1.338	50	20	DDGD	
COC(=O)c1ccccc1CC(=O)NNC(=O)c1ccccc1	770466154	OQMAQYVZJPLPJQ-UHFFFAOYSA-N	312.325	1.477	50	20	DDGD	
CCN(C)C(=O)[C@H](C)NC(=O)NNc1cccc(F)c1Cl	875525419	CTEPMKQBSFRYBG-QMMMGPOBSA-N	316.764	1.972	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)c2ccccc2C)n1	773531476	MIVYLEZQTHICRL-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
CC[C@H](C)NC(=O)c1ccc(NC(=O)NN(C)C(=O)OC)cc1	878415501	UOIJXAOKQPAUPI-JTQLQIEISA-N	322.365	1.950	50	20	DDGD	
NC(=O)N1CCC[C@H](C(=O)NNc2ccc3ccccc3n2)C1	777465904	VZEDEYUFNRQUHF-LBPRGKRZSA-N	313.361	1.469	50	20	DDGD	
CC1=NO[C@@H](CNC(=O)NNc2cc(F)c(F)cc2F)C1	875973526	FOQLKYPDVLJYAG-SSDOTTSWSA-N	302.256	1.895	50	20	DDGD	
C[C@@H](C#N)C(=O)NNc1ccc([N+](=O)[O-])cc1Br	779146403	YCYHAPQAYNYQRK-LURJTMIESA-N	313.111	1.960	50	20	DDGD	
CC(C)(C)n1cc(NC(=O)NNC(=O)C2CCOCC2)cn1	878828484	RTJFUAAVGPFTIL-UHFFFAOYSA-N	309.370	1.217	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)N[C@H]2CC23CCC3)c1	876426666	KDGMNCAKYLTVBW-AWEZNQCLSA-N	317.389	1.955	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CC[C@@]1(C)CCC(=O)N1	774853668	QIPIPIUEYJUZPJ-OAHLLOKOSA-N	305.382	1.492	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)COc1nnc(-c2ccccc2)o1	777917037	ULODZFLPUBIKOV-UHFFFAOYSA-N	318.333	1.309	50	20	DDGD	
C[C@H]1Oc2ccccc2N(CC(=O)NCCCSC#N)C1=O	773594250	RGRUIDVKHBFMGL-LLVKDONJSA-N	319.386	1.521	50	20	DDGD	
O=C(NNC(=O)c1cnc(C2OCCO2)s1)c1ccccc1	773689355	BEGUNXUWTLVJEQ-UHFFFAOYSA-N	319.342	1.263	50	20	DDGD	
COC(=O)CNC(=O)NN=C1C[C@@H](C)N(Cc2ccccc2)C1	779815797	AYGJWGFMDJDNLR-GFCCVEGCSA-N	318.377	1.109	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@H]1CCc2c[nH]nc2C1	774177631	JFCNPJIIDJFSFC-VIFPVBQESA-N	304.325	1.806	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CN1CCC(C)CC1	777773490	QACWRLXLJUTHEN-UHFFFAOYSA-N	305.378	1.648	50	20	DDGD	
CSc1cc(CNC(=O)NNC(=O)CC(F)(F)F)ccn1	772601424	KIVWRVXCVSRHAP-UHFFFAOYSA-N	322.312	1.586	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cnn(C2CCOCC2)c1C	887145730	PKIMMRZNSZYWKP-UHFFFAOYSA-N	318.377	1.108	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H]1CO[C@H](C)C1	784143712	HEQPJYPVQOSZRF-ZJUUUORDSA-N	309.391	1.438	50	20	DDGD	
C[C@@H](OC1CCCCCC1)C(=O)NNC(=O)C1CCOCC1	883065181	CUHCAALSJYIXJP-GFCCVEGCSA-N	312.410	1.688	50	20	DDGD	
C=CCCCCCC(C)=NNC(=O)N[C@H]1CCS(=O)(=O)C1	788995041	QOQFJDKTFRDYDQ-ZDUSSCGKSA-N	315.439	1.985	50	20	DDGD	
COc1nn(C)cc1C(=O)NC[C@@]1(C)C[C@H]1Br	883973772	DQOSIWZSUMKDKS-LDYMZIIASA-N	302.172	1.332	50	20	DDGD	
CC1(C)C[C@H](C(=O)NNC(=O)c2ccc(Cl)nc2)CCO1	1120676001	QNNBQQPBLDOFKN-SECBINFHSA-N	311.769	1.701	50	20	DDGD	
CC(C)CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1ccc[nH]1	1123581168	QDLLQGYJQFVXGK-CYBMUJFWSA-N	320.393	1.203	50	20	DDGD	
O=C(NN=C1CCC2(CCCO2)CC1)[C@H]1CCS(=O)(=O)C1	788016281	SDBHBDXIWJYPKE-ZSOXZCCMSA-N	314.407	1.017	50	20	DDGD	
Cc1nc(C(C)C)nc(O)c1C(=O)NNc1ccnc(F)c1	781365276	DTLAYKZTJOSTOX-UHFFFAOYSA-N	305.313	1.905	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCC1CCC(F)(F)CC1	898584815	VPDJQJKFVAADCJ-UHFFFAOYSA-N	307.341	1.569	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](Cn1ccnc1)c1ccccc1	890243477	MTDBBKHASKAULR-ZDUSSCGKSA-N	317.349	1.537	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCO2)c1ccc(O)nn1	790143053	UFWCSJMBHXCVQZ-UHFFFAOYSA-N	300.274	1.065	50	20	DDGD	
Cn1c(NNC(=O)C(C)(C)C(F)F)nc2ccccc2c1=O	792179367	MZPOCBRATMSGQI-UHFFFAOYSA-N	310.304	1.668	50	20	DDGD	
CC[C@H]1CCC[C@H]1NCC(=O)NNC(=O)c1ccc(C#N)cc1	794576285	RSPSTPDHVOBDAX-DZGCQCFKSA-N	314.389	1.488	50	20	DDGD	
Cc1cc[nH]c1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	797792581	ZAGVNNMDVIAXRZ-SNVBAGLBSA-N	305.309	1.691	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2noc3ccccc23)n1	794077140	SNOOLFZIXQUZQN-UHFFFAOYSA-N	310.313	1.535	50	20	DDGD	
CSSCCNC(=O)N1CCS(=O)(=O)[C@@H](C)[C@@H]1C	790875016	BTUZOSUKGNQXBK-IUCAKERBSA-N	312.482	1.215	50	20	DDGD	
CSSCCNC(=O)[C@@H]1CCN(CC(F)(F)F)C1	791116086	GPHOPHVTGSZIPR-MRVPVSSYSA-N	302.387	1.998	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@H](c2ccccn2)C1	799193591	LYCCHTRRSIZTDG-KGLIPLIRSA-N	318.421	1.453	50	20	DDGD	
Cn1c(=O)oc2cc(/C=C(\C#N)C(=O)N=c3cc[nH]cc3)ccc21	798231165	KGFYHWHNDSZXAP-XYOKQWHBSA-N	320.308	1.494	50	20	DDGD	
CSc1c(F)cccc1C(=O)NNC(=O)c1cnn(C)c1	797880348	QJQQLJQTVOBDEK-UHFFFAOYSA-N	308.338	1.356	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc2nc(C)n(C)c2c1	793198642	KFJLNIPYFYQMCE-UHFFFAOYSA-N	303.366	1.626	50	20	DDGD	
COc1cccc([C@H](C)C(=O)NNC(=O)c2cccc(C)n2)c1	794089155	CPXIQQFOVFVCSJ-LBPRGKRZSA-N	313.357	1.963	50	20	DDGD	
CSSCCNC(=O)N1CCN(CC(F)(F)F)CC1	790874924	BHZQWHBUVCYKCF-UHFFFAOYSA-N	317.402	1.887	50	20	DDGD	
C[C@H]1CC[C@@H](CNC(=O)NNC(=O)c2ccc(C#N)cc2)C1	792875416	ZACYIZKXRCPYPV-WCQYABFASA-N	300.362	1.938	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NNC(=O)c1ccc(C)o1	798096059	ZFKOVWGCEVOCQP-YPMHNXCESA-N	307.350	1.513	50	20	DDGD	
C[C@H](C(=O)NNc1cncc(Br)c1)n1ccnc1	1319627691	VQGIXQNKTWBBIK-MRVPVSSYSA-N	310.155	1.745	50	20	DDGD	
Nc1c(Cl)cc(NC(=O)NNC(=O)CCO)cc1Cl	1320716343	FNEZJNUFTRVLHW-UHFFFAOYSA-N	307.137	1.111	50	20	DDGD	
O=S(=O)(CBr)Oc1cnc(F)cc1Cl	1321890193	ITIIUKFEPXNHQA-UHFFFAOYSA-N	304.524	1.935	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2sccc2C#N)cc1	1324980065	QDERHHXOIZOTSV-UHFFFAOYSA-N	301.327	1.703	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc(-c2ccc(F)cc2)on1	1322587794	IPVSFEFRLMZPIY-UHFFFAOYSA-N	322.365	1.998	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1	1325313040	LYWSVUKLWZWLRA-AEGPPILISA-N	322.453	1.675	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccnc(OC2CCC2)c1	1326646017	CAFTXLWOSAVKRG-GXFFZTMASA-N	319.361	1.199	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)o1	1323547029	LTMOECCGPVGOEO-UHFFFAOYSA-N	302.334	1.573	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCn2cncc2C1)c1ccccc1Cl	1324297308	BZMFIJRTROMGBD-SNVBAGLBSA-N	318.764	1.560	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1ncc(F)cc1F	1320759997	JHYXVKNQCUHHEZ-UHFFFAOYSA-N	321.287	1.037	50	20	DDGD	
C[C@@]1(CNC(=O)[C@H](N)Cc2ccccc2)C[C@H]1Br	1331344442	MNQGUDNQDCGNKW-BZPMIXESSA-N	311.223	1.846	50	20	DDGD	
CCc1cccc2c1NC(=O)C2=NNC(=O)C1CCOCC1	1336995393	NSPZXDAOCGXACE-UHFFFAOYSA-N	301.346	1.448	50	20	DDGD	
O=C(NC[C@H]1CCOC1)NNC(=O)c1ccc2ccccc2c1	1338560558	DJLXISJFCKTVLP-GFCCVEGCSA-N	313.357	1.820	50	20	DDGD	
Cc1nc2c(C(=O)NNC(=O)C3CCOCC3)cccc2o1	1330828396	ACVCPXXZROUWSM-UHFFFAOYSA-N	303.318	1.324	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)Cc1c[nH]c2cnccc12	1333986096	YXUQZHYGLGPNRM-UHFFFAOYSA-N	305.407	1.399	50	20	DDGD	
Cc1ccc(CNC(=O)NNc2nncc(N)c2Cl)cc1F	1333568780	RIGPTWXEQUUUHR-UHFFFAOYSA-N	324.747	1.986	50	20	DDGD	
Cc1nc(CSCC(=O)NNc2ncncc2F)cs1	1347806610	WXSQOSCYTIAUNA-UHFFFAOYSA-N	313.383	1.757	50	20	DDGD	
O=C(NC[C@@H]1C[C@H]2C=C[C@H]1C2)NNC(=O)c1ccccc1O	1262379471	BDPQCOZFTPRRFL-SRVKXCTJSA-N	301.346	1.548	50	20	DDGD	
CSC1(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CCC1	1343991044	VXOSMLOOTRFXOV-UHFFFAOYSA-N	308.407	1.335	50	20	DDGD	
O=C(Cn1cc2ccccc2n1)NNc1ccc(C(=O)O)cn1	1601384439	OONIVBQTNISBFV-UHFFFAOYSA-N	311.301	1.273	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cccc3nn[nH]c23)c(F)c1	1608904631	AVDMLWVPEJIOON-UHFFFAOYSA-N	315.264	1.552	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2coc(/C=C/C(=O)O)c2)n1	1604700560	MEAIZPBMZILQNS-ONEGZZNKSA-N	318.289	1.241	50	20	DDGD	
C[C@H]1CCN(CCCI)[C@H](C(=O)O)C1	1604752285	QKYDDLSLSYGJAX-IUCAKERBSA-N	311.163	1.997	50	20	DDGD	
O=C(O)c1c[nH]c2cc(NCc3ccc(B(O)O)cc3)ccc12	1602237127	QQBWOOQYFWSKSJ-UHFFFAOYSA-N	310.118	1.158	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNc2ccc(C(=O)O)cc2F)n1	1607892308	VNVBXHPREIDZJR-SECBINFHSA-N	320.324	1.808	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1cc(C(=O)O)n(C)c1	1604165824	VQBTTYFNSOIQGZ-LBPRGKRZSA-N	320.393	1.295	50	20	DDGD	
O=C(CCc1ccncn1)NNc1ccc(F)c(C(=O)O)c1	1601292770	NZNNEIXNALGDIJ-UHFFFAOYSA-N	304.281	1.390	50	20	DDGD	
N#Cc1cccc(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)c1	1606382009	TYRJJCRREXDJFY-UHFFFAOYSA-N	320.316	1.887	50	20	DDGD	
Cc1c(NC(=O)NNc2ncc(F)cn2)ccc(F)c1C(=O)O	1610423949	QASBFFCZHWDDRC-UHFFFAOYSA-N	323.259	1.910	50	20	DDGD	
O=C(NN=C1CCCc2scnc21)[C@H]1CN2CCC[C@@H]2CO1	1549684644	GLIGLDDKLBEUOJ-ZYHUDNBSSA-N	320.418	1.163	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C=NNC(=O)[C@H]1CCCCO1	1552454460	PGKXFJIKZDVEME-BPLDGKMQSA-N	320.393	1.559	50	20	DDGD	
CNCCOc1cccc(C(=O)NNc2cccc(C)n2)c1	1578712874	YYFQFEGGLGKORS-UHFFFAOYSA-N	300.362	1.745	50	20	DDGD	
Cc1sc(CN)nc1C(=O)NNc1nccnc1C1CCC1	1579934582	MRQMAMAFDINJDJ-UHFFFAOYSA-N	318.406	1.725	50	20	DDGD	
CNNC(=O)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F	1578744472	INMULYNNDMYRFJ-UHFFFAOYSA-N	304.318	1.013	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)C1(C(=O)O)CCOCC1	1574404405	LPWZKYCBEWCNMX-UHFFFAOYSA-N	321.333	1.029	50	20	DDGD	
O=C(NNc1cc(Cl)nc2ncccc12)NC1CCNCC1	1580737697	VWNXUYJXLUZEKG-UHFFFAOYSA-N	320.784	1.661	50	20	DDGD	
C=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C(Cl)Cl)C1	1847227559	DOKYTOYOSJRFDS-QWRGUYRKSA-N	317.216	1.958	50	20	DDGD	
CC(C)c1nccn1CC(=O)NNc1ncccc1C(=O)O	1588976065	LIJRKOLIQSVCOJ-UHFFFAOYSA-N	303.322	1.243	50	20	DDGD	
O=C(c1ccc[nH]1)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846387978	GGMUMRULKSASKH-UHFFFAOYSA-N	316.188	1.635	50	20	DDGD	
O=C(c1cnco1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](F)Cl	1847924789	FGGOATHIQLNZBK-NRPADANISA-N	301.705	1.024	50	20	DDGD	
CC(C)(CCl)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@@H]1F)C2	1841225440	TZIUNLGOQOVYJA-MNOVXSKESA-N	316.804	1.813	50	20	DDGD	
C[C@@H](CNC(=O)NNc1cccc(C(=O)O)c1)N1CCCCC1	1592675230	BUKXQCXCNCYCDU-LBPRGKRZSA-N	320.393	1.885	50	20	DDGD	
CC(C)(CCNC(=O)/C(C#N)=C\c1ccc(O)cc1)C(=O)O	1590670441	WMNFGRZUTQPASO-XFXZXTDPSA-N	302.330	1.916	50	20	DDGD	
C[C@@](CC(=O)O)(NS(=O)(=O)CCCCl)c1ccccn1	1592329637	JXJWYBOQNIPOAT-LBPRGKRZSA-N	320.798	1.320	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)C(=O)O)c2ccccc2n1	1594281176	WMCJIDALEPWEFL-VIFPVBQESA-N	301.302	1.025	50	20	DDGD	
CC1(C)OC[C@@H]2C[C@@]21C(=O)NNc1cccc(-c2nn[nH]n2)c1	1590116475	CDYRAIRVGRHHIJ-BONVTDFDSA-N	314.349	1.125	50	20	DDGD	
C[C@]1(C(=O)N2CCSC[C@H](C(=O)O)C2)C[C@H]1Br	1593748466	TZZRIQWSIWNISC-XLDPMVHQSA-N	322.224	1.436	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)[C@@H]1CO[C@H](CCC(=O)O)C1	1594405012	PQFMOWCDQLBUQP-WDEREUQCSA-N	310.325	1.847	50	20	DDGD	
CNC(=O)/C(C#N)=C/c1ccc(OC(=O)C2CC2)c(OC)c1	7209836	WAIHVRMAOSEOCP-KPKJPENVSA-N	300.314	1.664	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNC(=O)c1ccccc1Cl)C(C)C	5703805	BHOZQJOGHWBWEX-LBPRGKRZSA-N	311.769	1.262	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2ccccc2F)c1	5860680	GYXVSTKJGXUJLZ-UHFFFAOYSA-N	301.321	1.967	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])cn2C)cc1	16305889	YSJCFOCLMYLZJP-UHFFFAOYSA-N	316.317	1.571	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1c(Cl)nc2ccccn12	16409744	YYLJCBZYNDWFBH-CSKARUKUSA-N	304.737	1.657	50	20	DDGD	
COCCC1(C(=O)NNc2nc(-c3ccccc3)no2)CC1	161931002	LAROBXZUTRDEER-UHFFFAOYSA-N	302.334	1.996	50	20	DDGD	
Cc1nc(CN(C)S(=O)(=O)c2ccc(CCl)cc2)no1	914334124	JODJXFOGWXTLRS-UHFFFAOYSA-N	315.782	1.938	50	20	DDGD	
OCCO[C@@H]1CCCN(C[C@H](CBr)C2CC2)C1	859142122	SXDFJGYXFNXCIN-QWHCGFSZSA-N	306.244	1.881	50	20	DDGD	
CC#CC[C@@H](CO)NS(=O)(=O)c1ccc(CCCl)cc1	717770422	PWFDAXPCPOPXFB-ZDUSSCGKSA-N	315.822	1.521	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)C[C@@](C)(O)C1CC1	862290131	ODJCHPLTDGUPCZ-MRXNPFEDSA-N	306.362	1.837	50	20	DDGD	
CC(C)NC(=O)CCCC(=O)NNC(=O)Cc1ccc(F)cc1	104137421	JKDORNVRZOFHOZ-UHFFFAOYSA-N	323.368	1.211	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)c2ccccc2C)cn1	9736489	LDLZBYNQILSGLC-UHFFFAOYSA-N	314.345	1.543	50	20	DDGD	
Cc1ccnc(NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1	176741343	IPUPYJMVXOFTRG-UHFFFAOYSA-N	317.261	1.963	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C#Cc1ccccc1	175922750	KLXUPIARZBNUJK-UHFFFAOYSA-N	324.336	1.273	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)c2cccn2C)c(C(C)C)n1	172125823	YPQSAHCLGRQUEK-UHFFFAOYSA-N	301.350	1.322	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC=CCC1)c1cc(Br)c[nH]1	28717576	WLLPCGFFPWVZQR-QMMMGPOBSA-N	312.167	1.895	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cc(Oc2ccccc2)ccn1	174292393	AWMMANVKEVMQNT-UHFFFAOYSA-N	314.345	1.197	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2nc(C)c(C)s2)n1	174305484	CBUIMNUQYWFFDA-UHFFFAOYSA-N	306.395	1.993	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@H](C(=O)NNc2nccnc2Cl)C1	175237924	FJQCFNBBBIOOBR-DTWKUNHWSA-N	312.757	1.553	50	20	DDGD	
CCC(O)(CC)CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	174749969	WBTXZTOXGXYYOK-VGOFMYFVSA-N	314.389	1.779	50	20	DDGD	
CNC(=O)NNC(=O)c1cccc(NC(=O)c2cccs2)c1	56376717	OPJUIUYRYHALPH-UHFFFAOYSA-N	318.358	1.574	50	20	DDGD	
COc1ccc(C(=O)NNc2cnccn2)cc1OC(F)F	114880901	SNPLSDXGWQBAOL-UHFFFAOYSA-N	310.260	1.844	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1cc(Cl)c[nH]1	26509094	YTSHRBUVKWCZGP-UHFFFAOYSA-N	311.700	1.647	50	20	DDGD	
COC(=O)[C@H]1C[C@H]1C(=O)NNC(=O)c1cc2ccccc2o1	177750986	BOOOZHBFFSQDLE-ZJUUUORDSA-N	302.286	1.003	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CC[C@@H]1CC[C@H](C)O1	175651996	RGHMHKHGKCOTKG-JSGCOSHPSA-N	320.389	1.733	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NC[C@H]2CCCS2)c1	119640903	PWBKULYYXQDLFA-GFCCVEGCSA-N	304.375	1.398	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N2C[C@@H](C)OC(C)(C)C2)s1	170879185	MQWWLKAJLGLLAK-SECBINFHSA-N	311.407	1.910	50	20	DDGD	
O=C(NNc1nc2ccccc2c(=O)[nH]1)[C@H]1Cc2ccccc2O1	176785465	DVYSUDVHYOEXQZ-CQSZACIVSA-N	322.324	1.370	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cn(Cc2ccccc2)nn1	68266608	MZGBHPCXJXVVGF-UHFFFAOYSA-N	316.365	1.071	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cc(F)c(F)c(F)c1	175795343	WIKBTXOVKRBWCV-UHFFFAOYSA-N	309.247	1.503	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2ccc(F)c(C)c2)nc1	124312796	GYTJETSANFNDDN-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NCCOC(C)C	182816482	VHIWGCSQJMVKSH-UHFFFAOYSA-N	319.365	1.012	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)[C@@H]1CC1(Cl)Cl	129208621	WXYKPXHXMMGRPT-JTQLQIEISA-N	317.172	1.797	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)N[C@H]2CCCOCC2)c1	181818690	DEHMSJDRQPVFHK-ZDUSSCGKSA-N	320.393	1.266	50	20	DDGD	
CN(C)c1nc(CNS(=O)(=O)CCCCCl)cs1	154525157	NMWDVRGJGOQDIA-UHFFFAOYSA-N	311.860	1.648	50	20	DDGD	
Cc1noc(C)c1C[C@H](C)NC(=O)NNc1ccc(Cl)nn1	128408019	GEWVUVKKPJDULN-ZETCQYMHSA-N	324.772	1.992	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CSc1ccc(Cl)cc1	70694086	QFBGPLQJPWSFLD-UHFFFAOYSA-N	324.793	1.925	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1ccc(F)c(F)c1	79006715	VIROGDQHEFSDAF-UFBFGSQYSA-N	313.304	1.535	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cc2c([nH]c1=O)CCCCC2	123400538	RVOBUHBABFCKGN-UHFFFAOYSA-N	317.324	1.330	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)c2cnn(C)c2)cccc1[N+](=O)[O-]	182843416	CZSFWOLRODVJEO-UHFFFAOYSA-N	318.293	1.103	50	20	DDGD	
Cc1nc(C)c(C(=O)NNc2nnc(-c3ccccn3)s2)o1	188229234	YJXUOGHJFCDXKU-UHFFFAOYSA-N	316.346	1.962	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)NC[C@H]2CCCO2)c1	42866950	CVTDIMGWJKFCNM-CYBMUJFWSA-N	321.377	1.192	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cc(F)c(Cl)cc2F)cn1	134708418	PDAXIFDCMIZAKR-UHFFFAOYSA-N	314.679	1.427	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cc(C3CC3)on2)cc1	192619327	NSBKKCZXDODAOR-UHFFFAOYSA-N	315.329	1.700	50	20	DDGD	
NC(=O)NCCC(=O)NNc1ccccc1OC(F)(F)F	190189802	BIZWEUIBOPNRKZ-UHFFFAOYSA-N	306.244	1.087	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cccn2C)ccc1[N+](=O)[O-]	193574582	YHEVETWWUPVAQR-UHFFFAOYSA-N	317.305	1.708	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2nc3ccccn3n2)c1	190608379	SZGVLPXZMJDDTH-UHFFFAOYSA-N	310.317	1.120	50	20	DDGD	
CCCC[C@H](CC)CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1	42842005	BGYLAZTYZGJJAV-GXTWGEPZSA-N	319.471	1.584	50	20	DDGD	
COC(=O)C1(NC(=O)/C(C#N)=C\c2ccc(O)cc2)CCCC1	194371144	RWBSCDMEKBFOIS-RAXLEYEMSA-N	314.341	1.901	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H](C)N2CCc3ccccc32)n1	195040373	DXYBGOSFULYVOA-NSHDSACASA-N	313.361	1.380	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ccccc2C(F)(F)F)nc1	195438980	DPFKLDKGSXZUGB-UHFFFAOYSA-N	324.262	1.956	50	20	DDGD	
COCCn1cc(NC(=O)NNc2ncccc2Cl)cn1	194301058	QALBOXKYXPGKJS-UHFFFAOYSA-N	310.745	1.727	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C\c1cn(C)nc1C(C)(C)C	93872842	WRLNMSBOUGVNOV-HBZGRHIISA-N	304.394	1.776	50	20	DDGD	
COCCOc1ccc(Cl)cc1C(=O)NNC(=O)C1CC1	267142797	KXKKHDSEQHTJLO-UHFFFAOYSA-N	312.753	1.536	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ccc(Cl)nc1)N1CCCC1=O	266498327	DHWBRXKJLCHBAI-ZDUSSCGKSA-N	310.785	1.825	50	20	DDGD	
CCc1ccc([C@@H](COC)NC(=O)NNC(=O)C2CCC2)o1	266467295	FMUVKJJWBXEXJT-GFCCVEGCSA-N	309.366	1.660	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CCCCN2C(=O)C(C)C)nc(C)n1	265507844	FILRROUZQIWSQJ-ZDUSSCGKSA-N	319.409	1.574	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C2(C#N)CCC2)c1C	265445290	MDGASGLOSHUBCN-ZDUSSCGKSA-N	315.373	1.912	50	20	DDGD	
CC(C)N1CC[C@H](NC(=O)NNc2ccc(Cl)nc2)C1=O	266812817	OPPLRAHGZTZYLO-JTQLQIEISA-N	311.773	1.370	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)COc2ccc(C)cc2)O1	268253917	CNIIMPANEGTKQC-OCCSQVGLSA-N	306.362	1.479	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CC[C@@H](n2cccn2)C1	366373979	XVGNHSMBYKPHFQ-YVGNARHYSA-N	308.341	1.969	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)C(=O)Nc2c(C)noc2C)c1	275669868	HBSWRYHTNKUQPV-UHFFFAOYSA-N	302.334	1.990	50	20	DDGD	
O=C(NNc1cccnn1)N[C@H]1COc2c(Cl)cccc21	363960557	HYRPQUHQRVCLPB-JTQLQIEISA-N	305.725	1.890	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccc([C@@H]2CCOC2)c1	270449929	DVSIQGLHZPGBNM-CYBMUJFWSA-N	305.403	1.485	50	20	DDGD	
Cc1ccc(N2CCC(C(=O)NNc3ncccn3)CC2)nc1	363210544	MRIGTCAGTPUQQM-UHFFFAOYSA-N	312.377	1.540	50	20	DDGD	
CCOC(=O)C[C@H](C)CNC(=O)NNc1ccc(Cl)nc1	270518758	LTAMJDFAPXSSAG-VIFPVBQESA-N	314.773	1.950	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@H]1CCO[C@H](C2CC2)C1	274146328	DDMYONRLCMSUFX-FZMZJTMJSA-N	321.352	1.727	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC2(N(C)C)CCC2)s1	275414299	GOWMCWMUJIHNEY-UHFFFAOYSA-N	310.423	1.485	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1ccsc1Cl	275522572	KKOYMGPFJUPSRS-SSDOTTSWSA-N	321.786	1.606	50	20	DDGD	
O=C(NNc1cccc(F)n1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2	376335730	VXDHRTIAALVNLG-ZWKOPEQDSA-N	306.341	1.804	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNC(=O)CC2CC2)c(C)c1	274106205	YGCOAGQHWCMMEJ-UHFFFAOYSA-N	319.361	1.280	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)C1(O)Cc2ccccc2C1	372185711	MEFCMDFTIDCECK-UHFFFAOYSA-N	304.296	1.938	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H]1C(=O)NNc1nc(C(F)(F)F)cs1	288122695	YJZYCDZXNRKTSX-PHDIDXHHSA-N	323.296	1.804	50	20	DDGD	
CSSCCNC(=O)NCCOc1ncccc1F	285518999	SUSLSCBNXMOWDS-UHFFFAOYSA-N	305.400	1.910	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1cccc(Cl)c1	283744057	JAEALJLNWRGHEQ-UHFFFAOYSA-N	301.730	1.156	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CCC(=O)NNc1ncccc1F	286052968	RQHPAEKSGPUVGC-UHFFFAOYSA-N	308.273	1.167	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2snnc2C2CC2)c(O)c1	289679073	CJVJKDSMVJIXSV-UHFFFAOYSA-N	318.358	1.504	50	20	DDGD	
COCCN(C)NC(=O)c1cn[nH]c1-c1ccc2c(c1)OCO2	297081241	MASORGNAELRTKC-UHFFFAOYSA-N	318.333	1.028	50	20	DDGD	
O=C(NCC1CC(F)(F)C1)NNc1ccc(-n2cccn2)nn1	291986896	SOLSEOBXUXROQC-UHFFFAOYSA-N	323.307	1.334	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cccc(Cl)c1O	802024767	VQDJVKXIZFWODO-UHFFFAOYSA-N	306.709	1.329	50	20	DDGD	
CNc1nc(C)cc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])n1	807444389	CGVXVYQJIFXKIY-UHFFFAOYSA-N	320.284	1.631	50	20	DDGD	
CC(C)OCc1ccc(C(=O)NNC(=O)N2CCOCC2)cc1	299397985	UVFGELOVHLENHY-UHFFFAOYSA-N	321.377	1.298	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccc(O[C@@H]2CCOC2)cc1	293910260	GHWWSLVCKYCIMS-GFCCVEGCSA-N	318.308	1.540	50	20	DDGD	
O=C(NCCNC(=O)c1cccs1)NNc1cccc(F)n1	804959978	JPGFMFJHTZZMKC-UHFFFAOYSA-N	323.353	1.338	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2cccnn2)c(Cl)cc1F	807014279	UDNMNHXQQRBOLY-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCCSC#N	808025960	HSWJRDLDVDQASZ-UHFFFAOYSA-N	312.416	1.733	50	20	DDGD	
C[C@H](Cc1ccccc1F)C(=O)NNC(=O)[C@H]1CCCCO1	295300237	DZSAPQDYXKHUQV-BXUZGUMPSA-N	308.353	1.721	50	20	DDGD	
CC(=NNC(=O)c1nnc(-c2ccccc2)o1)c1cn(C)c(C)n1	800811120	IJCRZCDLWNAWEU-UHFFFAOYSA-N	324.344	1.933	50	20	DDGD	
CC(CCc1ccc(C(F)(F)F)cc1)=NNC(=O)C(N)=O	800804720	AQGQSPOSZGTMMG-UHFFFAOYSA-N	301.268	1.615	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNC(=O)C2CCCC2)ccc1F	806976777	WTKPZCDVMXOWLX-UHFFFAOYSA-N	321.352	1.664	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNc1cnnc2ccccc12	809681638	YGIOSGXRURKGLA-JTQLQIEISA-N	302.334	1.662	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1nc(C(C)(C)C(=O)OC)cs1	292262472	FWCDMRDHOFMXRD-VQHVLOKHSA-N	323.374	1.976	50	20	DDGD	
CCn1nc(C)c(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1C	297019904	VETFPLAGLIYSCT-KWQFWETISA-N	309.370	1.240	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)N[C@@H]1CCCc2occc21	296693661	YNAOZBBTUPCVRA-DGCLKSJQSA-N	307.350	1.557	50	20	DDGD	
Nc1nccnc1C(=O)NNC(=O)Nc1ccc(Cl)cc1	802017713	XLGZOTRDKSZFNZ-UHFFFAOYSA-N	306.713	1.179	50	20	DDGD	
O=C(O)CCNC(=O)NNc1ccc(OC(F)(F)F)cc1	819492413	HVLAJDIXOYMZBV-UHFFFAOYSA-N	307.228	1.686	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)c1cn(C)c2ccccc12)C1CC1	812452641	IQIFZKMSBDERPQ-KRWDZBQOSA-N	315.373	1.754	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cccc2cc[nH]c12	814763051	RLWDRNOEUBHYQS-ZDUSSCGKSA-N	314.389	1.586	50	20	DDGD	
C[C@@H](C=NNC(=O)N=c1cc[nH]cc1)NC(=O)OC(C)(C)C	815002574	HJEBWCQQJROFLG-JTQLQIEISA-N	307.354	1.524	50	20	DDGD	
COc1nc(N(C)C)sc1C=NNC(=O)N=c1cc[nH]cc1	815002556	GUIWUKNYQGNQQZ-UHFFFAOYSA-N	320.378	1.190	50	20	DDGD	
COc1ccc([N+](=O)[O-])c(C(=O)NNc2ncncc2F)c1	817080233	WSEOKOXGAJXCFP-UHFFFAOYSA-N	307.241	1.289	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C1CC[C@H](C(=O)O)C(C)(C)[C@@H]1C	814852298	RKUZJNDJAJUZDJ-LDYMZIIASA-N	306.366	1.961	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)CCCc1ccccc1)C1CCC1	813438426	KJGDVKTWOIAHDM-KRWDZBQOSA-N	304.390	1.708	50	20	DDGD	
COCCc1nc(C)c(C(C)=NNC(=O)c2ccnnc2)s1	817341036	YUVPZYZUPGFJMU-UHFFFAOYSA-N	319.390	1.584	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccnnc1	817693489	PQENMBSAVYEXKV-GHMZBOCLSA-N	302.359	1.411	50	20	DDGD	
CCC[C@H](C)C(=O)NCCNS(=O)(=O)CCCCCl	814285087	DPUSHINWGODBLF-NSHDSACASA-N	312.863	1.477	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@H](C)[C@H](C)COC)n1	812532626	AATOHTJGGKPXSQ-VXGBXAGGSA-N	309.414	1.685	50	20	DDGD	
Cc1cc(CC(=O)NN=C2COc3ccc(Cl)cc32)n[nH]1	814788024	YLRXRUJRRNKUOU-UHFFFAOYSA-N	304.737	1.827	50	20	DDGD	
O=S(=O)(CBr)NCc1c(F)cc(F)cc1F	815077449	OUGVHBFBIRPFLB-UHFFFAOYSA-N	318.114	1.876	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)Cc2cccnc2)c1	728852098	LRXLTZNOYSAUID-UHFFFAOYSA-N	315.329	1.103	50	20	DDGD	
NC(=O)C(=O)NN=C(Cc1ccccc1Cl)c1ccoc1	814695434	BHZGTOMEURYDQP-UHFFFAOYSA-N	305.721	1.481	50	20	DDGD	
N#Cc1cccc(C(=O)NN=Cc2ccccc2OCC(=O)O)c1	728781579	QTGZYXNGVMGJEV-UHFFFAOYSA-N	323.308	1.786	50	20	DDGD	
O=C(O)c1cccc(C=NNC(=O)[C@H]2Cc3ccccc3O2)c1	814825897	MWMHLKVYOOXJMI-OAHLLOKOSA-N	310.309	1.839	50	20	DDGD	
O=C(CCOCc1ccccc1)NNC(=S)NCC1CCC1	727864697	BFQSQVYHSMGYGI-UHFFFAOYSA-N	321.446	1.889	50	20	DDGD	
COc1ccsc1C=NNC(=O)CNC(=O)OC(C)(C)C	494433644	GWHCTVXQQXJKQC-UHFFFAOYSA-N	313.379	1.732	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NC[C@@]1(C)C[C@@H]1Br	826859196	PKTWESBQOVVYIZ-KZFFXBSXSA-N	304.184	1.475	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCSC[C@@H]1c1ccccc1	827834591	PWPDCRJJINHQIC-CQSZACIVSA-N	321.446	1.580	50	20	DDGD	
CCCN(NC(=O)c1cnc(S)[nH]1)C(=O)OC(C)(C)C	495696975	WHRWAMCWVYWBFL-UHFFFAOYSA-N	300.384	1.990	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@@H]1CC[C@H](C#N)C1	823891833	XYEDYBFTWYZEDU-GXTWGEPZSA-N	300.362	1.560	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NN=Cc1cccc(O)c1	496705005	ZPRHGPDXBKRGLX-UHFFFAOYSA-N	307.350	1.757	50	20	DDGD	
COC(=O)NNC(=O)c1ccnc(OCc2ccccc2)c1	495449044	SOEJHCMLICQAHU-UHFFFAOYSA-N	301.302	1.661	50	20	DDGD	
CCCC[C@@](C)(F)C(=O)NNC(=O)Cc1cn2ccccc2n1	829506311	ZKIGPDVUEIERKB-MRXNPFEDSA-N	320.368	1.943	50	20	DDGD	
COc1ccc(NNC(=O)/C=C\[C@H]2CCOC2)c([N+](=O)[O-])c1	493549154	HBLJZMGWGAVSMV-ODTOEKCJSA-N	307.306	1.639	50	20	DDGD	
COc1cccc([C@@H](OC)C(=O)NNC(=O)NCC2CC2)c1	823804186	LTWJRPSERPNCOD-CYBMUJFWSA-N	307.350	1.123	50	20	DDGD	
Cc1cccc(NNC(=O)c2ccc(N3CCOCC3)nc2)c1	821698824	ATRPQBYKMMZFRW-UHFFFAOYSA-N	312.373	1.984	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccnc(OC2CCCCC2)c1	823939691	OKGQNHOEPKRWHB-LBPRGKRZSA-N	307.394	1.751	50	20	DDGD	
Cc1cccc2c1CCC2=NNC(=O)N[C@H]1CCS(=O)(=O)C1	729142466	UIQCZWMRVXEELJ-NSHDSACASA-N	321.402	1.132	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2scnc2C(C)C)n1	822209023	QYDXXBGHLXQULR-UHFFFAOYSA-N	321.406	1.541	50	20	DDGD	
C[C@@H]1SCCC1=NNC(=O)CCNC(=O)OC(C)(C)C	495586362	BEFAUMKIPJKNEC-VIFPVBQESA-N	301.412	1.899	50	20	DDGD	
Cc1cccc([C@@H]2C[C@@H]2[C@@H](C)NC(=O)c2cccc(B(O)O)c2)c1	584933954	LZFJAJPNPLQGPK-XWIAVFTESA-N	323.201	1.597	50	20	DDGD	
CCN(CCO)NC(=O)CSc1nc(C)c(C)c(C)c1C#N	823838652	TUOMGEDEWKUNTK-UHFFFAOYSA-N	322.434	1.316	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@@H](C)c1nc(-c2ccc(B(O)O)cc2)no1	585054440	LYNAZPHTRVKWNC-TUAOUCFPSA-N	315.182	1.350	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)CCCc2nn[nH]n2)cc1	821798144	WPVXKIHEWDLONN-UHFFFAOYSA-N	302.382	1.963	50	20	DDGD	
Cc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1ccc(B(O)O)cc1	584949637	GGOBYNHBICIRHK-WMZOPIPTSA-N	309.174	1.135	50	20	DDGD	
COc1ccc2cccc(CC(=O)N3CC[C@@H](B(O)O)C3)c2c1	585063959	AGOAHEVYDYLRQW-CQSZACIVSA-N	313.162	1.466	50	20	DDGD	
CO[C@@H](c1nc(-c2ccc(B(O)O)cc2)no1)C1CCCCC1	585052222	VDJOGXKFQCKEMY-CQSZACIVSA-N	316.166	1.684	50	20	DDGD	
O=C(NCc1nnc2n1CCC2)NNc1c(F)cccc1F	735755386	CRFWRLVMLOFAJD-UHFFFAOYSA-N	308.292	1.329	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)/C=C\[C@@H]2CCOC2)c(F)c1	493594792	HLDZFQWHELXPET-XJIUSYNZSA-N	308.309	1.648	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccc(Cl)c(N)c1Cl	830696468	GYPKEXJQRJJUOY-UHFFFAOYSA-N	306.149	1.108	50	20	DDGD	
CCN1CC[C@H](N(C)C(=O)/C(C#N)=C\c2cnn(C)c2)C[C@@H]1C	491103655	LJXFVRSBPFKOJV-JEJBDVSJSA-N	315.421	1.658	50	20	DDGD	
OB(O)c1ccc(-c2noc(C3(C(F)(F)F)CCC3)n2)cc1	585054274	KRSLUCLTDLIVIV-UHFFFAOYSA-N	312.056	1.400	50	20	DDGD	
O=C(O)c1ccc(C(=O)N2C[C@H]3[C@H](Br)[C@H]3C2)cn1	902740773	CACYNGBICPTUTN-MBTKJCJQSA-N	311.135	1.245	50	20	DDGD	
CCOCC(=O)NN=Cc1cc(Cl)c(O)c(OCC)c1	731153753	CAJKACQAQGGBMK-UHFFFAOYSA-N	300.742	1.931	50	20	DDGD	
Cc1nn(-c2ccccc2)c(Cl)c1CN1CC[C@H](B(O)O)C1	585077523	WLPXLOIVHDNIOG-LBPRGKRZSA-N	319.601	1.883	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@@H]1CCCC[C@@H]1N1CCCC1=O	831868389	VIKGOYULGCGBSS-KGLIPLIRSA-N	302.378	1.128	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc2c(c1)CCC=C2	833243964	YYRYIOZMXAZTCG-OAHLLOKOSA-N	300.358	1.976	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H]1CCc2cc(OC)ccc2C1	900392174	DKOQMVOXLPFPHP-CYBMUJFWSA-N	305.378	1.541	50	20	DDGD	
COCCO[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H]2Br)C1	907600417	RRJMMZRFNDUWHX-JFGNBEQYSA-N	306.200	1.424	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)O)ccc1OC1CCOCC1	738444263	KSJHVSGYAGNEDP-UHFFFAOYSA-N	309.322	1.857	50	20	DDGD	
CN1CCC[C@H](CCNC(=O)NNC(=O)c2ccccc2F)C1	838773612	ZTMFTMMAAGSEAQ-GFCCVEGCSA-N	322.384	1.502	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2n[nH]c3c2CCC3)c1F	837056823	CRJQAMMTVHLBJQ-UHFFFAOYSA-N	318.308	1.581	50	20	DDGD	
CO[C@@H]1CCN(CC(=O)NNC(=O)c2ccc(C)cc2)C[C@H]1C	831529386	XSIZUJTXDCZSBE-UKRRQHHQSA-N	319.405	1.113	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1cccc2ccccc12)N(C)C	836324806	QVQXPJIJPUFAPS-LBPRGKRZSA-N	314.389	1.734	50	20	DDGD	
C[C@@H]1CCCN(CCNC(=O)NNc2cccc(C(=O)O)c2)C1	833615037	ZHPUMJXEPAQBBC-GFCCVEGCSA-N	320.393	1.743	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NN=c1cc[nH]c2ccccc12	839665097	ZBNDJJJSLWFMPT-GFCCVEGCSA-N	300.362	1.247	50	20	DDGD	
CC(C)c1ccccc1NC(=S)NNC(=O)[C@H]1CCNC1=O	834742553	VHCOBDPWYGAVNS-NSHDSACASA-N	320.418	1.264	50	20	DDGD	
C[C@@H]1CC(NC(=O)NNc2cccc(C(=O)O)c2)C[C@@H](C)O1	833595784	ADHGSQSFXQZFGS-NXEZZACHSA-N	307.350	1.967	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)cn1	735959818	CSTINCBVDVSGEI-UHFFFAOYSA-N	324.348	1.408	50	20	DDGD	
C[C@@H]1CCC[C@@H](CNC(=O)NNC(=O)N=c2cc[nH]cc2)[C@@H]1C	836439649	ZEMKAZSAKNAALK-UPJWGTAASA-N	319.409	1.912	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1nc(C(F)(F)F)co1	831826815	FMXKVXUXFVEJFH-PHDIDXHHSA-N	322.243	1.271	50	20	DDGD	
COc1ccc(-c2n[nH]cc2C(=O)NN(C)C[C@H](C)O)cc1	910175483	PMQMNZGCGDXXLT-JTQLQIEISA-N	304.350	1.043	50	20	DDGD	
CCn1cc([C@@H](C)N[C@@H](C)C(=O)NNC(=O)CC(C)C)cn1	832313313	HZIMIVLOZJAFSE-NEPJUHHUSA-N	309.414	1.136	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@@H](C[C@H]1CCCO1)C(F)(F)F	845927206	MHJSMEVOCWGXCW-GHMZBOCLSA-N	303.284	1.694	50	20	DDGD	
Cc1ncc(C(=O)NNc2ncnc(Cl)c2C(C)C)c(N)n1	842258010	MSVFUPWHLZHOBR-UHFFFAOYSA-N	321.772	1.691	50	20	DDGD	
C[C@H](Cc1cccc(O)c1)NC(=O)NNC(=O)c1ccccc1	919784625	USUBQSFIJPFJDN-GFCCVEGCSA-N	313.357	1.967	50	20	DDGD	
N[C@@H](CNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)C1CC1	846673596	CSYDDCJKYQFMSY-MVVXRAEJSA-N	301.228	1.794	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cc(N(C)C)ccn2)n1	748334810	KSGNAQXSSRJCCT-UHFFFAOYSA-N	306.757	1.656	50	20	DDGD	
N#CSCCCNS(=O)(=O)CCc1ccccc1F	916999172	CFLRBQOGRJMBNF-UHFFFAOYSA-N	302.396	1.892	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@]1(C)C[C@H]1Br)C1CC1	912160025	KFLGVWXLTNBPII-FMTFEUNWSA-N	320.256	1.454	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CCNC(=O)C(C)(C)C)n1	841470536	BVBBVVAWTMAZIY-UHFFFAOYSA-N	313.789	1.434	50	20	DDGD	
CC(C)c1ncncc1C(=O)NNC(=O)CCc1ccccc1	749799069	VNHPLPWZMVAOCB-UHFFFAOYSA-N	312.373	1.994	50	20	DDGD	
CCC(=NNC(=O)Cn1cnc2ccccc21)[C@H]1CCOC1	741838565	VYMAORQZPHTLFT-LBPRGKRZSA-N	300.362	1.955	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1	741662200	LLBWUVGOXXTCAW-UHFFFAOYSA-N	319.405	1.880	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(OC(C)C)c(C(C)=O)c1	848971515	PXGWVMAKHSSWTQ-UHFFFAOYSA-N	307.350	1.640	50	20	DDGD	
CCCC(O)(CCC)CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843972326	AMZGBRHVUZCYPT-NWDGAFQWSA-N	300.399	1.280	50	20	DDGD	
CC(=NNC(=O)c1ccccn1)c1ccc2c(c1)NC(=O)CO2	744516545	LSIJGPDUOKWTPO-UHFFFAOYSA-N	310.313	1.567	50	20	DDGD	
CC(C)(C)N1C[C@@H](C(=O)NNC(=O)CC2CCCC2)CC1=O	749944621	COZMEBBBXPNEKK-LBPRGKRZSA-N	309.410	1.361	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)NCC(C)(C)N)cc2C1	841950233	KTABGRHREUPCMR-VIFPVBQESA-N	324.450	1.554	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@@H]1c1ccccc1)c1ncccn1	841352667	LQZLFMRQUIKFKS-ZIAGYGMSSA-N	310.357	1.822	50	20	DDGD	
CC(C)(C)n1cnc(C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)n1	842247212	FNROHNKIGVWPLW-UHFFFAOYSA-N	322.300	1.837	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC[C@H]2CCCCN2)cc1F	841921417	IWGJBVUYUBTKMQ-LLVKDONJSA-N	324.356	1.381	50	20	DDGD	
CCS(=O)(=O)N[C@H](C)C(=O)NNc1ccc(Cl)cc1C	928336957	FUDCXGJTUTUNHI-SECBINFHSA-N	319.814	1.419	50	20	DDGD	
CCOCCOCCNC(=O)NC[C@@]1(C)C[C@H]1Br	923371608	CDDLGWHVBAUXKT-ZYHUDNBSSA-N	323.231	1.512	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)C(=O)NC1CC1	754149729	LTFWMIOVGMMPLA-UHFFFAOYSA-N	305.231	1.566	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@@H]2CC[C@@H](O)C2)C[C@@H]1Br	856954728	KQNSOMQIOXIPPC-MWGHHZFTSA-N	305.216	1.620	50	20	DDGD	
C[C@](O)(CC(=O)NNC(=O)Cc1ccc(Cl)cc1)C1CC1	755414646	FARAWGNFEDDKBW-HNNXBMFYSA-N	310.781	1.581	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Nc1c(C)ccn(C)c1=O	757629818	HMHUZCCJPSVMQZ-UHFFFAOYSA-N	314.345	1.469	50	20	DDGD	
CC(=NNC(=O)c1c[nH]nc1C)c1cc([N+](=O)[O-])ccc1O	758109688	JEBUZFRYCKRPOZ-UHFFFAOYSA-N	303.278	1.486	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCc1nc(C2CC2)n[nH]1	854099085	LRQWMQQEBSXXTL-UHFFFAOYSA-N	304.329	1.956	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(-n2ccnc2)cc1	920830524	ZZYQQJSLKLTMKT-UHFFFAOYSA-N	301.350	1.542	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1ccccc1F)[C@@H]1CCCO1	756106542	PKSOZIXGMVNZGJ-OLZOCXBDSA-N	309.341	1.727	50	20	DDGD	
COc1cc(F)c(NC(=O)NNC(=O)c2cnccn2)cc1F	757673732	IDJAQOQQMBEFAH-UHFFFAOYSA-N	323.259	1.230	50	20	DDGD	
Cc1ccc(SCCC(=O)NNC(=O)c2ccnnc2)cc1	756746838	XTVPGTVJILDYQO-UHFFFAOYSA-N	316.386	1.728	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cccnc1C1CC1	752451425	YFFOFOFCNBVYDE-UHFFFAOYSA-N	318.377	1.025	50	20	DDGD	
CCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1cnnn1C	857272696	FUSSHBIMQRKLHP-UHFFFAOYSA-N	322.350	1.592	50	20	DDGD	
O=C(COc1cccnc1)NNc1ccc(C(F)(F)F)nn1	755183617	PZCIGWDCMDVXKR-UHFFFAOYSA-N	313.239	1.413	50	20	DDGD	
O=C(c1cccc(OS(=O)(=O)CCl)c1)N1CCOCC1	851822157	JALFIHYYRCNTFH-UHFFFAOYSA-N	319.766	1.064	50	20	DDGD	
CCO[C@@H](CCNC(=O)NNC(=O)c1cn[nH]c1)C1CCCC1	858266302	CSNAUVSMDSMTMK-ZDUSSCGKSA-N	323.397	1.339	50	20	DDGD	
CC(C)CC(=O)NCCC(=O)NC[C@]1(C)C[C@@H]1Br	857399509	WVMLLRUYYVNMAY-GWCFXTLKSA-N	319.243	1.829	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@@H]1CCN(C2CCCCC2)C1	852589646	YLOKGHHQLFDYKE-CYBMUJFWSA-N	308.426	1.524	50	20	DDGD	
COC[C@@H]1CCN(C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	856753806	XZXUZJZSDHGSJE-JFGNBEQYSA-N	305.216	1.838	50	20	DDGD	
O=C(NNc1ccc(Br)nc1)c1cnc2n1CCC2	857123668	SSDDWIBMDUZMAM-UHFFFAOYSA-N	322.166	1.744	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=Cc1c[nH]c(C(=O)O)c1	853408087	LBSKUEDNIMFPFT-UHFFFAOYSA-N	322.365	1.106	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc([N+](=O)[O-])c(OC)c1	751371177	ZBZBFMOXKVIJOZ-UHFFFAOYSA-N	310.310	1.348	50	20	DDGD	
CSC[C@@H](C)C(=O)NNC(=S)NCCc1cccs1	753076713	HKUBMBJNMXIIBD-SECBINFHSA-N	317.505	1.785	50	20	DDGD	
CCSC1(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CC1	852394558	URYZEFHQYQDEMW-NXEZZACHSA-N	301.412	1.028	50	20	DDGD	
O=C(NNC(=O)c1ccc(NC2CC2)nc1)OCC(F)(F)F	856023934	BAUNZKMHZUPQTL-UHFFFAOYSA-N	318.255	1.589	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2CCCC23OCCO3)C[C@H]1Br	857387817	NDRDMTAPCCXEGD-CKYFFXLPSA-N	318.211	1.819	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2cccnc2Cl)[C@@H]2CCCC[C@@H]2N1	854929650	GVBCYQNYVKUJRO-DCAQKATOSA-N	322.796	1.873	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(CN2CCCCC2)o1	935290987	IHYILIJMYQGVER-UHFFFAOYSA-N	308.382	1.572	50	20	DDGD	
CC[C@@H](C)c1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1	755064400	PNEDPODTHXJRCA-SNVBAGLBSA-N	303.362	1.240	50	20	DDGD	
O=C(C[C@@H]1COC(=O)C1)NNc1nc(C(F)(F)F)cs1	768230261	HDIMPZDLISNPQA-YFKPBYRVSA-N	309.269	1.558	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNC(=O)Cc1ccccc1OC	861764847	CKJYHZICIHUACN-CQSZACIVSA-N	308.378	1.590	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccc(N2CCOC2=O)cc1	760921430	ZPYDJSTVQALDAQ-UHFFFAOYSA-N	317.280	1.329	50	20	DDGD	
CCc1nocc1C(=O)NNC(=O)CNc1ccccc1OC	863853514	JGBVNQPPFPLSCJ-UHFFFAOYSA-N	318.333	1.119	50	20	DDGD	
Cc1cc(=NNC(=O)CCc2nc(C3CCCC3)no2)cc[nH]1	862512935	LZQWZCLENCFSAW-UHFFFAOYSA-N	315.377	1.928	50	20	DDGD	
CCCn1cc(C(=O)NNc2cccc([N+](=O)[O-])c2C)nn1	767094593	XQSHQCPIMIFFQD-UHFFFAOYSA-N	304.310	1.662	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=C1CCN2CCC[C@H]12	765562411	HAYURXXMJRJFHW-XHDPSFHLSA-N	305.353	1.933	50	20	DDGD	
Cc1nnc(NNC(=O)C(C)(C)c2cccc(Cl)c2)nc1O	768927581	HKDZYMOPRUJMER-UHFFFAOYSA-N	321.768	1.960	50	20	DDGD	
CC(C)c1cccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1	860307807	RGWVQTSGCSNVAE-LBPRGKRZSA-N	304.350	1.241	50	20	DDGD	
CCN1CCC[C@@H]1Cn1c(C)cc(C=NN(C)C(N)=O)c1C	767899948	BIHHPHWUXSISHS-OAHLLOKOSA-N	305.426	1.934	50	20	DDGD	
N#Cc1ccc2[nH]cc(C=NNC(=O)CN3CCCC3=O)c2c1	760235872	SPHOIKKFWHNEPG-UHFFFAOYSA-N	309.329	1.112	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CC(F)(F)C(F)(F)F)n1	866293768	BNFPQVOVOASLOM-UHFFFAOYSA-N	314.214	1.824	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CCc2ccnc(C)n2)c1	862479906	GLURHHHAVKXTQI-UHFFFAOYSA-N	304.375	1.549	50	20	DDGD	
CC(=NNC(=O)Cc1ccc(F)cc1)c1cc(C(N)=O)n(C)c1	767169204	XZFQGEOIBDGZPN-UHFFFAOYSA-N	316.336	1.346	50	20	DDGD	
O=S(=O)(NCC(Cl)Cl)c1cnn(CC(F)F)c1	867469726	GSHLCYOSXRIVEK-UHFFFAOYSA-N	308.137	1.230	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@@H]1C[C@H]1c1cncn1C	863910615	XVOZEEAVGMUUAP-GHMZBOCLSA-N	304.325	1.815	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=CC[C@@H]2CCOC2)n1	765556726	XRGULEHCHNWTLZ-GFCCVEGCSA-N	308.407	1.714	50	20	DDGD	
CC(=NNC(=O)CCNC(=O)OC(C)(C)C)c1ccnc(C)n1	1116777387	MUGAQOFTWGVWHX-UHFFFAOYSA-N	321.381	1.540	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)N[C@@H]1[C@H]2CCc3ccccc3[C@H]21	875402218	PAGXBEGOCZBJLP-BFHYXJOUSA-N	311.345	1.082	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc(CCCOC(C)=O)c1	879329803	JRPHCSGVEHJJNP-UHFFFAOYSA-N	323.393	1.797	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NNc1nccnc1C(C)C	772843202	YZWSGHHYMHVORW-JTQLQIEISA-N	308.386	1.270	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C	1118799691	UOSNGVIFUWUZGB-UONOGXRCSA-N	313.423	1.012	50	20	DDGD	
C=C(CN(C)C)C(=O)NNC(=S)Nc1cc(C)ccc1F	874946521	MFAAIVIUQKNJHJ-UHFFFAOYSA-N	310.398	1.570	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cccc([S@@](C)=O)c1	770221934	YGGKYFCPOVFXBW-JOCHJYFZSA-N	316.382	1.807	50	20	DDGD	
Cc1cc(NC(=O)NNc2cccc(S(C)(=O)=O)c2)nn1C	776478758	GKMIVAYMJCTCQQ-UHFFFAOYSA-N	323.378	1.281	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCC2CC2)c(C)n1CC1CC1	1115989279	WOGVMOVIYCKVJI-UHFFFAOYSA-N	304.394	1.869	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)c1ccccc1O)c1ccccc1	776106265	IGTSEQHPPFNFMJ-KRWDZBQOSA-N	314.341	1.715	50	20	DDGD	
COCCO[C@@H]1C[C@H](CO)CN(C[C@@H](C)CBr)C1	773966547	YGZZPCNTIWFPDX-RWMBFGLXSA-N	324.259	1.363	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2CSC[C@@H]2C)cc1	1117420192	TWOCYMUNFZIODO-CABZTGNLSA-N	309.391	1.391	50	20	DDGD	
Cc1cc(NNC(=O)c2ccn(Cc3ccccc3)n2)ncn1	776146663	GZUXZJFUKDAOGZ-UHFFFAOYSA-N	308.345	1.787	50	20	DDGD	
CCNC(=O)c1ccc(NC(=O)NNc2ncc(F)cn2)cc1	775519769	OAELOOQZXKAQOY-UHFFFAOYSA-N	318.312	1.514	50	20	DDGD	
CN1CCC(C=NNC(=O)COc2ccc(C#N)cc2)CC1	872329860	WVKXTCLXVUSEDZ-UHFFFAOYSA-N	300.362	1.381	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc2c(cc1F)CCC(=O)N2	878206988	KOUCUDWQJXXNOC-UHFFFAOYSA-N	310.329	1.325	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc(Cl)c1F	772190247	LPOZGRGJHUNJCJ-SSDOTTSWSA-N	316.716	1.582	50	20	DDGD	
CNC(=O)Cn1nc(NC(=O)NNc2ccccc2)cc1C	770080260	BODYKLGQKNLVPI-UHFFFAOYSA-N	302.338	1.086	50	20	DDGD	
CC(=O)N(C)c1ccc(NC(=O)NCC(Cl)Cl)cn1	1119320146	QLEUFIHVNYYUMR-UHFFFAOYSA-N	305.165	1.990	50	20	DDGD	
Cc1cnccc1C(=O)NNC(=O)Cn1cnc2ccccc21	770211790	JYQGMHOCABHMLP-UHFFFAOYSA-N	309.329	1.201	50	20	DDGD	
COc1cc(C(=O)NNc2cc(C#N)cc(Cl)n2)nn1C	773584918	YPHUMTBUTHEYBU-UHFFFAOYSA-N	306.713	1.106	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)[C@@H]2Cc3ccccc32)c1	776527709	YIPGBNLKQNFQKH-OAHLLOKOSA-N	316.382	1.873	50	20	DDGD	
CN(C)c1cnc(C(=O)NNc2cc(F)c(F)c(F)c2)cn1	779674614	MDNOMBKTYBUAIC-UHFFFAOYSA-N	311.267	1.717	50	20	DDGD	
COCC[C@H](Cc1ccco1)NC(=O)NNc1ccc(C)nn1	784470763	WDLYQSYLOUAHNU-GFCCVEGCSA-N	319.365	1.652	50	20	DDGD	
COc1cn(-c2ccccc2)nc1C(=O)NN=c1cc[nH]cc1	780762051	VWMSDFAINAOPES-UHFFFAOYSA-N	309.329	1.455	50	20	DDGD	
Cc1nn(C)c(NC(=O)C(=O)NNc2ccc(Cl)cc2)c1C	783337031	YOOXKMSDLNLRIN-UHFFFAOYSA-N	321.768	1.772	50	20	DDGD	
CCC[C@@H](C)N1C[C@@H](C(=O)NNc2ccnc(F)c2)CC1=O	781363385	ADPOCXCHAZHLRE-MNOVXSKESA-N	308.357	1.701	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)C(=O)Nc2ccc(C)nc2O)c1	783357180	OVXBWNIJNYFBLJ-UHFFFAOYSA-N	314.345	1.794	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)[C@@H]1C[C@]12CCOC2	788563843	TUQCDGJRSYXVFG-XPTSAGLGSA-N	317.374	1.470	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(C#N)cn1)N(C)CC(F)(F)F	899661316	QRTYMFOJQNPTPB-MRVPVSSYSA-N	301.272	1.279	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=Cc2ncc(Cl)n2C)c1	799470240	AOQFPYJYWSFVNI-UHFFFAOYSA-N	305.769	1.903	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccnn1-c1ccccc1	791476346	WDOJECKKMGDYDU-UHFFFAOYSA-N	309.329	1.286	50	20	DDGD	
CSCCONC(=O)NNc1ccccc1S(C)(=O)=O	793250812	XHZIUNUNLPMFHH-UHFFFAOYSA-N	319.408	1.011	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCSCC[C@@H]2C)cc1	794570812	PIQLBHVUZQLBDE-ZDUSSCGKSA-N	321.446	1.583	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](C)c1ccccc1SC	799659210	OFQQQVXAODHUKL-JTQLQIEISA-N	311.407	1.836	50	20	DDGD	
CSSCCNC(=O)N1CCN(CC(C)(C)O)C[C@H]1C	790874895	BBRNZPCJCXOSNH-LLVKDONJSA-N	321.512	1.484	50	20	DDGD	
CCn1cc(NC(=O)NNc2ccc(-n3ccnc3)nn2)cn1	794799839	VNBZGEPOPBEBOS-UHFFFAOYSA-N	313.325	1.027	50	20	DDGD	
COC(=O)c1occc1C=NNC(=O)c1ccc(O)c(O)c1	794551509	RVIWNLHOVVIYCX-UHFFFAOYSA-N	304.258	1.241	50	20	DDGD	
CNc1ccc(C(=O)NNc2nc(-c3ccccc3)no2)cn1	796341180	CMHHGIHULNZIMP-UHFFFAOYSA-N	310.317	1.930	50	20	DDGD	
Cc1oc(C#N)cc1C(=O)NNc1nc(-c2cccnc2)no1	797871111	ZVULPTVOHQVZAD-UHFFFAOYSA-N	310.273	1.662	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1ccccc1N(C)C	792375996	OAHLULYNGUNDRP-UHFFFAOYSA-N	313.361	1.538	50	20	DDGD	
CN1CCN(C(=O)NN=C2CSCc3ccccc32)CC1	790176843	VBCNRKYYGYBSNU-UHFFFAOYSA-N	304.419	1.595	50	20	DDGD	
COc1cc2c(cc1/C=C(/C#N)S(=O)(=O)N(C)C)O[C@@H](C)C2	794957850	IHZQMDOHKZSFSW-MBGMWABPSA-N	322.386	1.774	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CSCCS2)cc1	1318441158	GWHUYCPPICJQEG-LLVKDONJSA-N	312.416	1.305	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=C1C(=O)Nc2ccc(Cl)cc21	1317706718	VPSNSLUJJPDSHM-UHFFFAOYSA-O	315.740	1.100	50	20	DDGD	
CCCN(CC)C(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1328963671	OZDRJVYKHYPISD-SKDRFNHKSA-N	305.216	1.535	50	20	DDGD	
CCC(=NNC(=O)C(=O)OC)c1ccc(Br)cc1	1319345709	IZWRPKAIXGHITN-UHFFFAOYSA-N	313.151	1.852	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NC[C@@H]2CCCOC2)nn1	1322251537	FJKQJARKIZKMJF-NSHDSACASA-N	307.398	1.827	50	20	DDGD	
CC(C)(CC(=O)NNC(=O)c1n[nH]c2c1CCCC2)C1CC1	1324647251	STMQQUNAGRBDAN-UHFFFAOYSA-N	304.394	1.876	50	20	DDGD	
O=C(CCc1ccc2c(c1)CCO2)NNC(=O)c1cccnc1	1322461663	YWURIYQFITVRIO-UHFFFAOYSA-N	311.341	1.410	50	20	DDGD	
CN(CC1CC1)C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1328963279	MRJLUPOSZUQSBJ-CABZTGNLSA-N	303.200	1.145	50	20	DDGD	
CCOc1ccc(CN(C)C(=O)NNC(=O)c2cn[nH]c2)cc1	1329194242	VQDJUODAUORABK-UHFFFAOYSA-N	317.349	1.295	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(C)c(C#N)c2)cc1	1327030747	VXTQFCWXLKBZPE-UHFFFAOYSA-N	309.325	1.950	50	20	DDGD	
C[S@](=O)c1ccc(NC(=O)NNc2ncc(F)cn2)cc1	1325785759	MIVWOBOYXVMQKY-NRFANRHFSA-N	309.326	1.502	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2ccccc2Cl)on1	1330305462	SNBJNPLQUWCYPS-UHFFFAOYSA-N	307.693	1.879	50	20	DDGD	
CC1(C)C[C@@H](C(=O)NNC(=O)c2ccc(C#N)cc2)CCO1	1337044856	UBLNKOXYTDFXQW-ZDUSSCGKSA-N	301.346	1.524	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cccc(C#N)c2C)nn1	1338663876	BURUHDFRFSJXMM-UHFFFAOYSA-N	310.317	1.047	50	20	DDGD	
COC(=O)C(=O)NN=C1CCCN(Cc2ccccc2)[C@@H]1C	1261236848	ZNBHFZFTGMKNHA-GFCCVEGCSA-N	303.362	1.316	50	20	DDGD	
CS[C@H](CNC(=O)NNC(=O)C1CCNCC1)C(C)(C)C	1261376482	PPXHIXZIKCHAER-LLVKDONJSA-N	316.471	1.094	50	20	DDGD	
Cn1ccc(NNC(=O)C[C@H]2CCCN2C(=O)OC(C)(C)C)n1	1348607204	FSCQRFIQIBTZEE-LLVKDONJSA-N	323.397	1.653	50	20	DDGD	
COCCOCCC(=O)NNc1cncc(Br)c1	1341214620	KTSRUFRTLOJBPP-UHFFFAOYSA-N	318.171	1.340	50	20	DDGD	
Cc1nn(C)cc1C=NNC(=O)c1cncn1-c1ccccc1	1341145483	QIHRNQRMQWHGFH-UHFFFAOYSA-N	308.345	1.678	50	20	DDGD	
CC(C)(C)SCC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1603110412	QEMMNTHRLHRZRZ-UHFFFAOYSA-N	307.383	1.237	50	20	DDGD	
O=C(O)C1(C(=O)NNc2cccc(Br)n2)CC1	1608566047	HBLJZDKPLBUTIE-UHFFFAOYSA-N	300.112	1.152	50	20	DDGD	
O=C(NNc1cccc(F)c1C(=O)O)c1cc2c([nH]1)CCOC2	1601560776	YDHHHGAJKCIBLR-UHFFFAOYSA-N	319.292	1.682	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)c(F)c1	1602385503	XBCPUEFICZBZFB-RKDXNWHRSA-N	304.281	1.494	50	20	DDGD	
O=C(NNc1cccc(F)c1C(=O)O)c1ccn2nccc2n1	1601560396	DFQWOPCIIJLSKQ-UHFFFAOYSA-N	315.264	1.324	50	20	DDGD	
C=CCN(C)C(=O)/C(C#N)=C/c1cc(-c2nn[nH]n2)n(C)c1C	1602846938	CMBIYDIGMZJNTF-KPKJPENVSA-N	311.349	1.065	50	20	DDGD	
C[C@]1(COC(=O)c2cc(C(=O)O)no2)C[C@H]1Br	1604583320	VGKHGRVAUDDSGF-GMSGAONNSA-N	304.096	1.703	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)c2ccc(CCl)cc2)C[C@H]1C(=O)O	1607438614	ANNXNUVPOWDZPY-BXKDBHETSA-N	317.794	1.767	50	20	DDGD	
O=C(O)C1=NO[C@H](C(=O)NNc2ccc(Cl)cc2Cl)C1	1605970734	RMZFDKLIGXELTI-VIFPVBQESA-N	318.116	1.666	50	20	DDGD	
CC(C)(CCNC(=O)NNc1ccc(C(C)(C)C)nn1)C(=O)O	1602942806	WJPMUUHKMGKWAO-UHFFFAOYSA-N	323.397	1.901	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2cccc(F)c2C(=O)O)nc1	1608201118	WMXWKILXZKZDCN-UHFFFAOYSA-N	300.249	1.547	50	20	DDGD	
O=C(O)C1(C(=O)NNc2nc3ccccc3[nH]c2=S)CC1	1605936013	XGAPLEFRRSKQMV-UHFFFAOYSA-N	304.331	1.600	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1ccsc1	1549317736	YXMUJYNBFKPIFQ-JSGCOSHPSA-N	307.419	1.842	50	20	DDGD	
CC(C)c1nc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)cs1	1549319387	UUPYCYVEAIYMPZ-CHWSQXEVSA-N	322.434	1.580	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1sccc1C	1549319362	UMLMAXIAZADKOV-STQMWFEESA-N	307.419	1.760	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H](C)COC)C1	1841663747	KIAZOPZOYUCWGG-VXGBXAGGSA-N	316.829	1.490	50	20	DDGD	
C=C(C)C[C@@H](NC(C)=O)C(=O)NNc1ccccc1C(=O)O	1588546809	DAJNFBAIQXKFJX-CYBMUJFWSA-N	305.334	1.299	50	20	DDGD	
O=C([C@@H]1CCC=CO1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843364412	ITMCAGQYNWZRDS-QWRGUYRKSA-N	316.760	1.417	50	20	DDGD	
N#C/C(=C\c1cnccn1)C(=O)c1cccc(-c2nn[nH]n2)c1	1592662549	REJAYYQACCEYOD-KPKJPENVSA-N	303.285	1.447	50	20	DDGD	
CCOc1nc(C(=O)NNc2cccc(C(=O)O)c2C)co1	1597192608	SNTXNPGVWODLHU-UHFFFAOYSA-N	305.290	1.837	50	20	DDGD	
O=C(O)c1cnc(C(=O)NNc2cc(F)cc(Cl)c2)cn1	1595266760	ULJSDJCWPUQFIW-UHFFFAOYSA-N	310.672	1.724	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(C(=O)O)cn2)c(Cl)n1	1599484274	UGMWZOPXDVPVLF-UHFFFAOYSA-N	322.708	1.594	50	20	DDGD	
N#C[C@]1(C(=O)NNc2ncccc2C(=O)O)C[C@H]2CC[C@H]1C2	1594601774	RBOZELHGUSIGLR-AMJWSMQMSA-N	300.318	1.553	50	20	DDGD	
C[C@H](CBr)CN1CCC[C@@H](NS(C)(=O)=O)C1	248785510	XGENVSDMIBZYMR-NXEZZACHSA-N	313.261	1.031	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	17331584	VUYMRDCAZNXCPS-UHFFFAOYSA-N	308.250	1.064	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccnc1	18051820	XEIOTHVLNMFGND-UHFFFAOYSA-N	320.692	1.718	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)CC2(CS(C)(=O)=O)CC2)c1	158989100	DZQNDMKPWSBHGQ-UHFFFAOYSA-N	310.419	1.961	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNC(=O)c2cc(C)n[nH]2)ccc1C	153183662	CDERUYHHYOFKIJ-UHFFFAOYSA-N	315.333	1.060	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccc(C(N)=O)nn1)c1cccc(F)c1	154282211	HUROBIWSTCDKGB-VIFPVBQESA-N	317.324	1.352	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NCc1ccccc1	172641664	VSXZCXCWAOGPQV-UHFFFAOYSA-N	313.357	1.734	50	20	DDGD	
CSSCCNS(=O)(=O)c1cccc(C(=O)O)c1	283957018	KJYPGLRZNBATCH-UHFFFAOYSA-N	307.418	1.674	50	20	DDGD	
COC(=O)NCCNS(=O)(=O)c1ccc(CCl)cc1	308142018	JGWNRBMHWOLYQE-UHFFFAOYSA-N	306.771	1.060	50	20	DDGD	
C[C@H](Oc1ccccc1)C(=O)NNC(=O)c1cccc(C#N)c1	103402675	BLDJXASZBZHIBQ-LBPRGKRZSA-N	309.325	1.787	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2n[nH]c3ccccc23)c1	103437244	IFDRCLVNIOANFC-UHFFFAOYSA-N	305.297	1.509	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2ccccc2F)cc1	8274848	YNOFQESNHOIYCE-UHFFFAOYSA-N	316.288	1.687	50	20	DDGD	
CSc1ccsc1C(=O)NNC(=O)NCC(F)(F)F	107360704	URWQIXHKLFZJBC-UHFFFAOYSA-N	313.326	1.976	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCc1nc2ccccc2s1	58170010	QRWSWYIQEPVPFR-UHFFFAOYSA-N	320.443	1.910	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(C)cc1OC[C@H]1CCCO1	56760674	NEMJBDLIWWHHQU-LLVKDONJSA-N	323.349	1.945	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCCOc1ccccc1	109859325	CORUNVJPDNSDRK-UHFFFAOYSA-N	302.334	1.338	50	20	DDGD	
CCOCCCCNC(=O)NNC(=O)Cc1ccccc1OC	56727170	OTFPEPYQIBEXSP-UHFFFAOYSA-N	323.393	1.385	50	20	DDGD	
CC(=O)CCc1ccc(OCC(=O)NNc2cnccn2)cc1	114882350	GZTGOKHDQDOCKK-UHFFFAOYSA-N	314.345	1.520	50	20	DDGD	
O=C(Cc1c[nH]c2ncccc12)NNC(=O)NC1CCCCC1	176323544	MMGJJIDVMBCPAJ-UHFFFAOYSA-N	315.377	1.769	50	20	DDGD	
O=C(CCc1c[nH]c2ccccc12)NNC(=O)Cc1cc[nH]n1	106417237	KWKRLAADQWGLQE-UHFFFAOYSA-N	311.345	1.214	50	20	DDGD	
COc1ccc([N+](=O)[O-])c(C(=O)NNc2nccnc2Cl)c1	114895493	HXSNQWWMDJJEOY-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
Cn1c(NNC(=O)CCc2ccoc2)nc2ccccc2c1=O	175412477	PKBQBZQKHIUPLQ-UHFFFAOYSA-N	312.329	1.602	50	20	DDGD	
C[C@@H](Oc1cccnc1)C(=O)NNC(=O)CNc1ccccc1	117969819	OZKWCYGFJPJDRV-GFCCVEGCSA-N	314.345	1.108	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1ccc(F)cc1F	103504468	GMYVAILIKHRGQS-UHFFFAOYSA-N	306.272	1.755	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@H]1CSCCS1	176923761	CPKYIHYZYZHELM-LLVKDONJSA-N	314.407	1.364	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@](C)(O)[C@H](C)c2ccccc2)o1	176209784	CEGVBCVYMZPDPN-SJKOYZFVSA-N	316.357	1.904	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@@H](O)C1CCCCC1	69257594	SQCIRGOTMKPFSC-OAHLLOKOSA-N	319.405	1.880	50	20	DDGD	
CCc1nnsc1C(=O)NNC(=O)CNc1ccc(C)cc1	302837992	PJEJDEFJZBIDID-UHFFFAOYSA-N	319.390	1.282	50	20	DDGD	
C=CC1CCN(CC(=O)NNC(=O)c2cccc(Cl)c2)CC1	111260185	NMSSEVBGPUIIKL-UHFFFAOYSA-N	321.808	1.999	50	20	DDGD	
C[C@@H](CC(=O)NNc1ncccn1)C(=O)c1cccc(F)c1	173846632	XIAHCWQETDARTD-JTQLQIEISA-N	302.309	1.968	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)NCCc1cccs1)N(C)C	110664333	FCQRVIDZEMQSTP-LBPRGKRZSA-N	312.439	1.207	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)N(C)C)c1ccccc1OC(F)F	177625509	JYYVEORHVDTFLJ-CMDGGOBGSA-N	313.304	1.994	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)NC1CCCC1	65919259	OOONMSZXVQPYQR-SECBINFHSA-N	314.386	1.173	50	20	DDGD	
CCC(CC)n1nc(C)cc1C(=O)NNC(=O)N1CCOCC1	180088979	BHKYCLMSGAGRAF-UHFFFAOYSA-N	323.397	1.239	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccncc1Br	124280380	DEMFANUWTPIIAN-UHFFFAOYSA-N	323.150	1.257	50	20	DDGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1c[nH]nn1	124772540	XNOVDLZIGXABJS-UHFFFAOYSA-N	301.228	1.503	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)OCC(=O)NC2CC2)cc1	33414590	YPIPGZWCLASWPH-WQLSENKSSA-N	300.314	1.424	50	20	DDGD	
C[C@H](C[S@](C)=O)NC(=O)NNc1c(F)cccc1Cl	185646544	JXYZLXNOBLEHDR-XJZHNMMOSA-N	307.778	1.872	50	20	DDGD	
CC[C@H]1C[C@@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCO1	182204228	HBTXRGSDUNNAPI-AAEUAGOBSA-N	321.333	1.561	50	20	DDGD	
COc1ccnc(NNC(=O)c2nn(-c3ccccc3)cc2C)n1	184377532	SZVOMPAFSSHOHI-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
Cc1c(C(=O)NNC(=O)Cc2cc[nH]n2)cnn1C1CCCC1	186099467	LBQBCJLNGUVLMG-UHFFFAOYSA-N	316.365	1.033	50	20	DDGD	
CCOC(C)(C)CNC(=O)NNC(=O)c1cccc(N(C)C)c1	187601877	DDHSSDFQAAKVPM-UHFFFAOYSA-N	322.409	1.512	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H]1CN(CC)CCO1)c1ccccc1	73552768	ZXSFRUVJFURPRQ-LSDHHAIUSA-N	319.405	1.048	50	20	DDGD	
CSSCCNS(=O)(=O)c1csc(C(=O)O)c1	283887208	HIFZVCGWOHHCNH-UHFFFAOYSA-N	313.447	1.736	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)/C=C/c1ccc[nH]1	189554111	NBBCAPZTURPDNU-ANYFNZRUSA-N	317.320	1.782	50	20	DDGD	
C[C@H](Sc1ccccc1Cl)C(=O)NNC(=O)CN(C)C	75653972	NAQFRASYMRJARI-VIFPVBQESA-N	315.826	1.530	50	20	DDGD	
COC(=O)CCCC(=O)NNC(=O)Cn1ccc2ccccc21	131142618	WGOWVVAIFYWQTG-UHFFFAOYSA-N	317.345	1.132	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2cccc3ncccc23)no1	73455536	YTKFRASUJWWQHF-UHFFFAOYSA-N	310.313	1.535	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1ccc2c(c1)CCO2	183665861	QYUFBXYCHUBQPP-UHFFFAOYSA-N	312.329	1.412	50	20	DDGD	
Cc1noc2ncc(C(=O)NNC(=O)CC3CCCC3)cc12	195221868	MWGCTRTWVBOXJK-UHFFFAOYSA-N	302.334	1.873	50	20	DDGD	
C#CCOc1ccccc1NC(=O)C(=O)NNc1cc(C)ccn1	190052751	SNFVSOXBIBALDY-UHFFFAOYSA-N	324.340	1.484	50	20	DDGD	
Cc1cc(C)n(CCCNC(=O)NNC(=O)c2ccc(C)o2)n1	84412329	MQQBINMHGHDLMZ-UHFFFAOYSA-N	319.365	1.436	50	20	DDGD	
Cc1ccccc1NNC(=O)CN1C(=O)NC2(CCCC2)C1=O	192733436	OUMCXDZPAPFGMW-UHFFFAOYSA-N	316.361	1.303	50	20	DDGD	
C[C@@]1(NNC(=O)N[C@@H]2CCc3ccccc32)CCS(=O)(=O)C1	45305598	NMKAIDWCVLYELX-UKRRQHHQSA-N	323.418	1.055	50	20	DDGD	
CCc1cc(NNC(=O)CCOC)nc(-c2ccccn2)n1	131251247	JKQFULUWHJNBKK-UHFFFAOYSA-N	301.350	1.581	50	20	DDGD	
Cc1ccc(S(=O)(=O)NCC(Cl)Cl)cc1C(=O)O	380696612	VYPSLXPXPUPIJD-UHFFFAOYSA-N	312.174	1.775	50	20	DDGD	
O=C(NCCc1nccs1)NNC(=O)c1cccc(Cl)c1	195288956	KWRIBPAIFBDEIE-UHFFFAOYSA-N	324.793	1.983	50	20	DDGD	
CCc1c(C(=O)NNC(=O)N(C)C)cnn1-c1ccc(F)cc1	194923646	FCRQAFAESDCHGF-UHFFFAOYSA-N	319.340	1.490	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@H](C)N2CCC[C@H](C)C2)n1	46366833	GIAZFRGHQFNPPR-RYUDHWBXSA-N	322.413	1.232	50	20	DDGD	
N#Cc1ccccc1/C=C/C(=O)NNc1nc2ccccn2n1	191926379	GUIKGIXAJSVGJN-CMDGGOBGSA-N	304.313	1.757	50	20	DDGD	
O=C(NNc1cccc(F)c1)C(=O)Nc1ccc(Cl)cn1	194025931	RDHGAOUFQRSHEY-UHFFFAOYSA-N	308.700	1.956	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(C)(C)C)cc1S(C)(=O)=O	193656493	MSWVKZWIVJUKRV-UHFFFAOYSA-N	312.391	1.206	50	20	DDGD	
CO[C@@H](C)CC(=O)NNC(=O)Cc1ccc2ccccc2c1	195495439	CINLWVXYDGRNFP-LBPRGKRZSA-N	300.358	1.955	50	20	DDGD	
Cn1cc(/C=C(/C#N)c2nc(N)nc(Nc3ccccc3)n2)cn1	96931666	QBVXDKHEKOGFTE-GHXNOFRVSA-N	318.344	1.995	50	20	DDGD	
COc1ccccc1/C(C)=C\C(=O)NNC(=O)c1ccncc1	255082431	QYTAAPGRVCRIPX-QXMHVHEDSA-N	311.341	1.955	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)c1ccc(Cl)cc1O	266518566	ILPPPRMJGHUMED-UHFFFAOYSA-N	312.753	1.789	50	20	DDGD	
C[C@H](NC(=O)NNc1cc(F)c(F)c(F)c1)c1nncn1C	266948640	JQLWSQDUNMQMOQ-LURJTMIESA-N	314.271	1.620	50	20	DDGD	
C[C@H]1CC/C(=C\C(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1	267838790	HDYUYSXWDXEMBH-QBAKGOIMSA-N	316.357	1.720	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)N[C@H]1CC=CCC1	265557021	KQOGEIWUNCXJFZ-NSHDSACASA-N	305.334	1.210	50	20	DDGD	
O=C(NCCCN1CCc2ccccc21)NNC(=O)C1CCC1	264742790	PDTMVLJMINPBPZ-UHFFFAOYSA-N	316.405	1.570	50	20	DDGD	
O=C(NN=c1nc(-c2ccccc2)[nH]o1)[C@@H]1C[C@@]12CCOC2	368106041	ABKMPNITYPWGML-XHDPSFHLSA-N	300.318	1.028	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCOC2)NC1CCCC1	264050075	AWVQGAFKRFLORV-UHFFFAOYSA-N	309.391	1.707	50	20	DDGD	
COCC[C@H](NC(=O)NNc1cccnn1)c1ccc(C)o1	272377130	UYBWZHKCMHFYOR-NSHDSACASA-N	305.338	1.782	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CC[C@@H](CO)C2)cc1	270362123	JGAPJMIPGJZKCC-UWZYDCLUSA-N	300.358	1.833	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)[C@@H]1CCCCS1	272964294	MWFBYOOOZMIBNX-LBPRGKRZSA-N	310.375	1.204	50	20	DDGD	
C=CCOc1ccc(C(=O)NN(C)C(=O)NCC)cc1OC	271244879	BWLCHLOAQFXBIN-UHFFFAOYSA-N	307.350	1.566	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@]2(C)CCO[C@H]2C2CC2)o1	368769546	HRIDJGCMOWGGOD-XJKSGUPXSA-N	321.377	1.737	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@@H]2C[C@]23CCOC3)c1	364087175	QDWNTOXYCKGKJS-BONVTDFDSA-N	323.393	1.878	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H](C)c2nnc3n2CCC3)n1	272585576	QFXNRXJXBXNSCD-VIFPVBQESA-N	317.353	1.015	50	20	DDGD	
Cc1noc(CCCNC(=O)/C(C#N)=C\c2ccc(O)cc2)n1	278792192	VWHLPROTIHWYQJ-LCYFTJDESA-N	312.329	1.740	50	20	DDGD	
COCCC[C@H](C)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	272068524	BOZNDVLPYJNPHN-NSHDSACASA-N	322.361	1.282	50	20	DDGD	
O=C(CN1CCCCCC1=O)NNc1nccnc1C1CCC1	286957783	KYZIXYATIOBADY-UHFFFAOYSA-N	317.393	1.590	50	20	DDGD	
CSSCCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1	284801558	YUWZGDVDCROJPF-UHFFFAOYSA-N	319.433	1.146	50	20	DDGD	
Cc1cc(=O)cc(C)n1CCCC(=O)NNC(=O)c1ccc[nH]1	289304976	DFXLGLSTEGNPTH-UHFFFAOYSA-N	316.361	1.035	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@H]1CCOC[C@H]1C	286687678	LPEQWKHPCNEJLE-VXGBXAGGSA-N	321.377	1.312	50	20	DDGD	
CC1(C)CN(C(=O)/C(C#N)=C\c2ccc(O)cc2)CC[C@H]1O	280294474	QGPWMOCOXHRHRU-UZGISAJGSA-N	300.358	1.919	50	20	DDGD	
CC(=O)NC1CCC(NC(=O)NNc2cccc(F)n2)CC1	287991848	ZKAWKFJMAYTCGQ-UHFFFAOYSA-N	309.345	1.294	50	20	DDGD	
CC(C)(C(=O)NNC(=O)Cc1ccc(F)cc1)C1CCOCC1	280907302	GFTCKMWKTAPGPO-UHFFFAOYSA-N	322.380	1.968	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCCC2(C)CC2)cc1	280426420	PRWQHMRELPPHSH-UHFFFAOYSA-N	305.378	1.894	50	20	DDGD	
Nc1nc(C2CC2)ncc1C(=O)NNc1nnc(C2CC2)s1	287790367	KSZUHHTWZSDURH-UHFFFAOYSA-N	317.378	1.422	50	20	DDGD	
Cn1nc(C(=O)NNc2cccc(F)n2)cc1OC(F)F	804765986	DXIOUPROTUDPDY-UHFFFAOYSA-N	301.228	1.313	50	20	DDGD	
CC(C)(CCC(=O)NNC(=O)CCc1ccccc1O)[N+](=O)[O-]	294799668	DZFDCUZHNJACJG-UHFFFAOYSA-N	323.349	1.308	50	20	DDGD	
NC(=O)COc1cccc(NC(=O)NNc2ncccc2F)c1	806201958	NQLDXAJFCYNMFC-UHFFFAOYSA-N	319.296	1.233	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2cccc(C#N)n2)c1	809933736	SBDDIQRTJQSHPH-UHFFFAOYSA-N	310.313	1.102	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H]1CCCN(c2ccccc2)C1=O	292669163	DGGOHKXUUPRSQW-CQSZACIVSA-N	317.389	1.623	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1ccc2c(n1)CCC2	296808483	OBOQIBCBWNJVCI-UHFFFAOYSA-N	311.345	1.361	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNc2ccncn2)C12CCCC2	296467066	MLFSNSPDYFLLHY-NEPJUHHUSA-N	305.382	1.841	50	20	DDGD	
CC[C@H](Cc1ccccc1)NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	297488538	ANQDXOUJBUZXHK-CFVMTHIKSA-N	319.405	1.906	50	20	DDGD	
O=C(NCCc1cccc2[nH]ccc12)NNC(=O)[C@@H]1CCCO1	292469991	AZFPPUYOJFKROA-AWEZNQCLSA-N	316.361	1.220	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2ccnc3c2ncn3C)c1	807062655	IUISFQFIAZBRRJ-UHFFFAOYSA-N	315.308	1.873	50	20	DDGD	
O=C(CSc1nnc2ccccn12)NNc1cccc(F)n1	804768841	XFTYOODRLVOYTL-UHFFFAOYSA-N	318.337	1.499	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)COc2cccc(Cl)c2)O1	294315574	RTZVQXAWWQDEBH-CABZTGNLSA-N	312.753	1.434	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H](C(C)C)N(C)C)cc1	802051195	PAIIZIPGNRBNKS-CYBMUJFWSA-N	308.382	1.434	50	20	DDGD	
COc1cccc(OCCC(=O)NNC(=O)[C@H]2CCCCO2)c1	295574348	BMSAMKYGNFBLAC-CQSZACIVSA-N	322.361	1.181	50	20	DDGD	
O=C(NC[C@H]1CCCSC1)NNc1ncncc1Cl	808307775	BBZYCJAUOPXTJV-MRVPVSSYSA-N	301.803	1.899	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1cc(C)nc(N2CCCC2)n1	293890659	GKKYZDMSXHPJEL-ACCUITESSA-N	315.377	1.445	50	20	DDGD	
CC(=NNC(=O)c1cccc2cccnc12)c1cc(CO)on1	812226817	LROPMXWEVKWVIW-UHFFFAOYSA-N	310.313	1.869	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccc(Cl)cc1F)c1ccncc1	813362854	KGMGJHLOTWPFDW-GFCCVEGCSA-N	323.711	1.369	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C1COc2cc(F)ccc21	814826572	BTHKUAVKSATHLY-UHFFFAOYSA-N	317.276	1.061	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)CCc1ccccc1O	811642041	XCJOUKIRESGFGF-CYBMUJFWSA-N	303.362	1.486	50	20	DDGD	
Cc1cc(C(=O)NN=C2CC[C@H](C(=O)O)C(C)(C)[C@@H]2C)n[nH]1	814876363	UYRBEGMROVTCER-NXEZZACHSA-N	306.366	1.961	50	20	DDGD	
Cn1ccc(CCC(=O)NNc2ccnc(Br)c2)n1	816157152	XVDXZQWAZMKPRV-UHFFFAOYSA-N	324.182	1.654	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NN=Cc1cn(C)nc1O	814227120	CZYROCKJEZRPMC-SECBINFHSA-N	322.752	1.697	50	20	DDGD	
O=C(CCc1ccon1)NNC(=O)C12CC3CC(CC(C3)C1)C2	816815991	JYADQGSGVQRGCR-UHFFFAOYSA-N	317.389	1.971	50	20	DDGD	
COC(=O)[C@@H]1C[C@H]2CC(=NNC(=O)c3ccc(C#N)cc3)[C@H]1C2	817326670	SZUYGBSAQLSLFP-FPMFFAJLSA-N	311.341	1.863	50	20	DDGD	
COCC1(C(=O)NNc2nccnc2C(C)C)CCOCC1	811462658	UGFJGTVNKXHNTF-UHFFFAOYSA-N	308.382	1.486	50	20	DDGD	
Cn1c(NNC(=O)[C@@]2(C)CC2(F)F)nc2ccccc2c1=O	817534464	XUQLCAJVDZXLHC-CYBMUJFWSA-N	308.288	1.422	50	20	DDGD	
O=C(NNc1ccc(Br)c(F)c1)[C@H]1C[C@@H](O)C1	822038567	WGNLRXWDQSRJKQ-WRXNHJIOSA-N	303.131	1.802	50	20	DDGD	
Cc1[nH]nc(O)c1NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	820403170	RFYUCQSRXSPBGB-NYYWCZLTSA-N	310.317	1.488	50	20	DDGD	
CC[C@H](C)C(=O)NN=Cc1c(C)nn(CCC(=O)OC)c1C	727061031	AEPGZDZNEVATAF-JTQLQIEISA-N	308.382	1.559	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)CC3(O)CCC3)cc2C1	822213383	ISDZCNXRTJOSEJ-SNVBAGLBSA-N	322.430	1.939	50	20	DDGD	
Cc1ccc(C#N)cc1C(=O)NNC(=O)OCC(F)(F)F	825519605	NNHYKAIWIVPODC-UHFFFAOYSA-N	301.224	1.800	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cccc(NC(=O)OC)c1C	496888322	AFIYWFPKXSOMQS-UHFFFAOYSA-N	324.337	1.363	50	20	DDGD	
CSCCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	826228626	VKTDYGCMUCBEPO-UHFFFAOYSA-N	313.774	1.111	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)CCc2ccccc2)c1C(F)F	727313027	WZSHSKAKCOVCHL-UHFFFAOYSA-N	322.315	1.752	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)C1(Cc2cccc(F)c2)CCOCC1	823923594	TUYCNBHCGNJGFX-ZDUSSCGKSA-N	324.396	1.509	50	20	DDGD	
CCN(C)[C@@H](C(=O)NNc1nnc(C)c(O)n1)c1ccccc1	728600429	GIWDUDRGCPRWMR-GFCCVEGCSA-N	316.365	1.022	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)/C=C\c1ccc[nH]1	492030650	JSXOJPJPGZQBGW-DHHDDZJSSA-N	317.320	1.782	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccc(OCC(F)F)n1	495448842	RNEJTSNDPMSZGW-UHFFFAOYSA-N	304.253	1.508	50	20	DDGD	
OB(O)c1ccc(CNc2ccc(OCC3CC3)cc2)c(F)c1	585011989	JNNAIWJWSJVUHT-UHFFFAOYSA-N	315.153	1.906	50	20	DDGD	
N#CSCCCNC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F	822728454	STMXFIQKTWNCIZ-SFYZADRCSA-N	309.313	1.022	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NN=C1CCOC1(C)C	495589884	QNNJTKWFZQDDMN-UHFFFAOYSA-N	313.398	1.962	50	20	DDGD	
CC(=O)N1CCC(NC(=O)/C(C#N)=C\c2ccc(F)cc2)CC1	490838954	BVSMAVHAYBWGGJ-UVTDQMKNSA-N	315.348	1.860	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1	823852816	PUHLDASVNQJWMR-MRXNPFEDSA-N	305.422	1.244	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cc3c(s2)CCC3)CO1	827606592	MLSOGZUPFZVPLM-WCBMZHEXSA-N	309.391	1.358	50	20	DDGD	
CCN(CC)[C@H](CNCc1cccc(B(O)O)c1)c1ccco1	585019429	MPLGNZZWUHLFQO-MRXNPFEDSA-N	316.210	1.132	50	20	DDGD	
CSc1ccc(CCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	823476416	XRGNQVJSBOIDOJ-BXUZGUMPSA-N	322.430	1.914	50	20	DDGD	
COC(=O)N(C)NC(=O)c1nccnc1Sc1ccccc1	496322756	ISPYVZBAFVQCBE-UHFFFAOYSA-N	318.358	1.971	50	20	DDGD	
CC(C)(Oc1cccc(Cl)c1)C(=O)NNC(=O)NC1CC1	732953884	FSWIVEOIVMZUOM-UHFFFAOYSA-N	311.769	1.990	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@H]1CCC(F)(F)C1	826676393	CGFBSSZFDJSXDA-LPEHRKFASA-N	305.325	1.177	50	20	DDGD	
Cc1cc(C(=O)NNc2nc(-c3cccnc3)no2)c(C)n1C	732111032	XXZNFAMGVWSJPX-UHFFFAOYSA-N	312.333	1.844	50	20	DDGD	
C[C@]1(C(=O)NCC2CCS(=O)(=O)CC2)C[C@@H]1Br	820102968	LKFAPUYBUWRSMN-ONGXEEELSA-N	324.240	1.101	50	20	DDGD	
COCCC(Cc1cccc(F)c1)=NNC(=O)c1ncon1	901285257	HOMCJGUVQZONAX-UHFFFAOYSA-N	306.297	1.574	50	20	DDGD	
CCCN(C)CC(=O)NNC(=O)c1ccc(CN(CC)CC)o1	730280538	WBVSJUYECQZOCP-UHFFFAOYSA-N	324.425	1.224	50	20	DDGD	
CCO[C@H]1C[C@H](NCc2ccc(B(O)O)cc2)C12CCCC2	585026433	GYWDHEOEQYDVSU-HOTGVXAUSA-N	303.211	1.194	50	20	DDGD	
CN(C)C[C@](C)(C=NNC(=O)N1CCOCC1)c1ccccc1	834950304	ZYXIBMVIMCQMPS-KRWDZBQOSA-N	318.421	1.534	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1c[nH]nc1-c1ccccc1F	588616062	PCNUKBUSZGTNAH-XFFZJAGNSA-N	320.349	1.972	50	20	DDGD	
CC(C)(C)CCNC(=O)NNC(=O)CNC(=O)OC(C)(C)C	494743229	XDAHFBVTNNXNKP-UHFFFAOYSA-N	316.402	1.278	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1NC(=O)NNC(=O)Cc1cn2ccccc2n1	838767186	RIYDQVYMOKVZPD-QWHCGFSZSA-N	315.377	1.252	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)N[C@H]1CC12CCOCC2	836611026	LLNGDULBDZWLKD-ZDUSSCGKSA-N	321.352	1.268	50	20	DDGD	
Cc1ccc(C#N)cc1S(=O)(=O)NNC(=O)C1CCCC1	734118487	INCCOERQEWBSDU-UHFFFAOYSA-N	307.375	1.366	50	20	DDGD	
CCn1cc(C=NNC(=O)c2ccc3c(c2)OCCO3)cn1	732528236	HBOYVGUSPALGHT-UHFFFAOYSA-N	300.318	1.438	50	20	DDGD	
CCCN1CCC[C@@H](C(=O)NNC(=O)c2ccc(C#N)cc2)C1	906460346	SJHQFVMCQZHXOY-OAHLLOKOSA-N	314.389	1.441	50	20	DDGD	
COc1cccc(CN2CC[C@@H](B(O)O)C2)c1OC(F)F	585077170	RVKQEWBLPLGPAC-SNVBAGLBSA-N	301.098	1.345	50	20	DDGD	
COc1ncccc1C(=O)NNC(=O)C(C)(C)c1ccccc1	731174462	DFELJQVJSKAOON-UHFFFAOYSA-N	313.357	1.829	50	20	DDGD	
Cc1cc(C(=O)CCC(=O)N2CC[C@@H](B(O)O)C2)c(C)s1	585076519	XOKUEOWWIKQCCJ-LLVKDONJSA-N	309.196	1.403	50	20	DDGD	
CO[C@@H]1C[C@H](NC(=O)NNc2ncc(F)cc2F)C12CCC2	838765235	KUFNEVBHXWNHBR-WDEREUQCSA-N	312.320	1.944	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)Cc1nnn(C(C)(C)C)n1	830801433	FMXIXLXHPNZLEQ-UHFFFAOYSA-N	306.345	1.561	50	20	DDGD	
CN(CCC(=O)NNC(=O)[C@@H]1CCCCO1)C1CCCCC1	833778792	KFNKMAPWLBCJIW-AWEZNQCLSA-N	311.426	1.358	50	20	DDGD	
CCCCN(CCOC)CC(=O)NNC(=O)c1ccc(C)cc1	733794673	FVJOWEOTVLIGAS-UHFFFAOYSA-N	321.421	1.505	50	20	DDGD	
CC[C@@H]1C[C@H]1CNC(=O)NNC(=O)COc1ccccc1OC	836192014	RKJUGTXCTGVPGG-NEPJUHHUSA-N	321.377	1.451	50	20	DDGD	
C[C@@]1(C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]1Br	905086142	RJVHMCNUOPNTGZ-SMDDNHRTSA-N	324.222	1.904	50	20	DDGD	
C[C@H](CBr)CN1CCC[C@@H](NC(=O)N(C)C)C1	832551111	ZBBZCKSDUNWSRV-GHMZBOCLSA-N	306.248	1.753	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1nc2ccccc2n1C)C1CCC1	837311207	SUJDWKUGULAXET-LLVKDONJSA-N	314.389	1.699	50	20	DDGD	
CCOc1ccc(C=NNC(=O)c2c[nH]nc2C)cc1OC	735410846	ZRJNREVMKFJAJQ-UHFFFAOYSA-N	302.334	1.889	50	20	DDGD	
CCCC(=O)Nc1cccc(NCc2ccc(B(O)O)o2)c1C	585011708	BZEMPEITUSQDCD-UHFFFAOYSA-N	316.166	1.619	50	20	DDGD	
N#Cc1ccc(CNC(=O)NNC(=O)[C@H]2CCCCO2)cc1F	836658017	HKXCPKAHYYSWRI-CYBMUJFWSA-N	320.324	1.097	50	20	DDGD	
O=C(NCCC[C@H]1CCOC1)NNc1ncc(F)cc1F	838715460	UANJAETYVBERQG-VIFPVBQESA-N	300.309	1.803	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C#CC(C)(C)C)cc1	837657316	AURDDKVSTOZNFD-UHFFFAOYSA-N	302.374	1.825	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)CCNS(C)(=O)=O	836932055	IVIIBYWOAYEOIN-UHFFFAOYSA-N	305.787	1.031	50	20	DDGD	
CCN(CC)C(=O)COc1ccc(C(C)=NNC(N)=O)cc1	916248641	KUUYPEBXUQMWGX-UHFFFAOYSA-N	306.366	1.326	50	20	DDGD	
COc1ccc(OC)c(CC(=O)NNC(=O)CC(F)(F)F)c1	918366407	ZDEAYSQYUJSSBQ-UHFFFAOYSA-N	320.267	1.346	50	20	DDGD	
CC[C@@H]1C[C@H]1CNC(=O)NNC(=O)COc1cccc(C)c1	836190974	DDUHBKJDSKMSIH-OLZOCXBDSA-N	305.378	1.750	50	20	DDGD	
O=C(COCc1ccccc1)NN[C@H](C(=O)O)c1ccccc1	738470190	KJFSMTCYOCWQIJ-INIZCTEOSA-N	314.341	1.650	50	20	DDGD	
CC(F)(F)CNC(=O)NNC(=O)c1cccc(OC(F)F)c1	836275770	QGHZXWMESXXWOR-UHFFFAOYSA-N	323.246	1.887	50	20	DDGD	
CC(C)C[C@@H](NC(=O)O)C(=O)NNc1cccc([N+](=O)[O-])c1	833477954	BLPAZGQNCZSUGO-LLVKDONJSA-N	310.310	1.720	50	20	DDGD	
C#CCOc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	831448430	XEEFOQNARZIUKK-BXUZGUMPSA-N	317.345	1.276	50	20	DDGD	
CC(C)[C@@H](NC(=O)O)C(=O)NNc1ccc2ccccc2n1	833469660	XWPZLCLHDUVPMU-CYBMUJFWSA-N	302.334	1.970	50	20	DDGD	
C[C@@H]1CCC[C@@]1(C)C(=O)OCC(=O)NNC(=O)c1cccs1	837933646	WROWJZXSPINKJA-MEBBXXQBSA-N	324.402	1.879	50	20	DDGD	
N#Cc1cccc([C@@H]2CN(S(=O)(=O)CCl)CCO2)c1	830977699	XVTJKEULUFSUHQ-LBPRGKRZSA-N	300.767	1.458	50	20	DDGD	
Cc1[nH]c(C(=O)O)c(C)c1C(=O)NNC(=O)NC1CCCC1	832845341	BBVSZYADZRXTFS-UHFFFAOYSA-N	308.338	1.216	50	20	DDGD	
CC[C@@H](C)[C@H](CNC(=O)NNC(=O)c1cccc(C#N)c1)OC	836276099	DYYSCJAXJPXDMU-RISCZKNCSA-N	318.377	1.563	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2cnn(C)c2)o1	746494687	PLYUQGNKPOTISD-UHFFFAOYSA-N	303.366	1.619	50	20	DDGD	
CC1(O)CCC(NC(=O)NNC(=O)Cc2ccccc2F)CC1	749595543	NIFHHMUTVNPNOB-UHFFFAOYSA-N	323.368	1.392	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)NOC1CCC1	836567055	HJVHPCLXECRELA-UHFFFAOYSA-N	313.741	1.777	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)CNC(=O)c1cccs1)C(C)(C)C	742613977	XILIUPNHAXVHCP-CSKARUKUSA-N	323.418	1.618	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)N[C@H]2CC2(C)C)c1	840410287	DFOJXIICHBBNSS-LBPRGKRZSA-N	307.350	1.446	50	20	DDGD	
N#Cc1cccc(NNC(=O)Cc2cnn(-c3ccccc3)n2)c1	748049779	HEOFWZXGHPAAIL-UHFFFAOYSA-N	318.340	1.825	50	20	DDGD	
O=C(NCCC1CCNCC1)NNc1ncnc2ccsc12	846214948	VSMDGPRFHDLIJS-UHFFFAOYSA-N	320.422	1.707	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H]2SCCc3ccccc32)nc1O	743295148	GHBANOQSNCLDKV-LLVKDONJSA-N	317.374	1.359	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H](c2ccccc2)C(C)C)nc1O	743296577	ZMQOHLSNQDIYMT-GFCCVEGCSA-N	301.350	1.769	50	20	DDGD	
CCCC[C@H](NNC(=O)CC1CC1)C(=O)Nc1cc(C)on1	842149891	PXIGNHXYWMNGOO-LBPRGKRZSA-N	308.382	1.901	50	20	DDGD	
Cc1nnc2ccc(C(=O)NNC(=O)c3ccccc3F)cn12	749367921	RBFDNBNDMKVJRD-UHFFFAOYSA-N	313.292	1.252	50	20	DDGD	
C[C@@H](CCN)NC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	841967041	JSNGWYFFGFFPNN-GVMDUPDNSA-N	322.453	1.661	50	20	DDGD	
O=C(COC[C@@H]1CCCO1)NNc1ncccc1C(F)(F)F	740091810	VSBXAXWSBLJSKG-VIFPVBQESA-N	319.283	1.739	50	20	DDGD	
O=Cc1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)[nH]1	749874549	BVRVGRJDSAJIIV-UHFFFAOYSA-N	305.721	1.484	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)c1csc(NC2CC2)n1	740749455	ZMPXZRVUXMCZMT-UHFFFAOYSA-N	320.349	1.931	50	20	DDGD	
Cc1nnc(CN(C)C(=O)[C@]2(C)C[C@@H]2Br)s1	912726690	BKOPVVZGBNWOIW-OIBJUYFYSA-N	304.213	1.978	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1)c1ccn(C)n1	841613678	FMYQOGBHDGQLTL-AGIUHOORSA-N	321.425	1.006	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)CNC(=O)c1ccc(O)cc1	749280513	AXANSJBQGTWNPY-UHFFFAOYSA-N	317.320	1.713	50	20	DDGD	
CO[C@@]1(C=NNC(=O)[C@@H](C)Oc2cccc(C)c2C)CCOC1	841613034	QSGYMXHSVSPKDY-RHSMWYFYSA-N	320.389	1.978	50	20	DDGD	
CSCC1(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC1	845342038	XAVPBDUPQDXCOJ-UHFFFAOYSA-N	303.387	1.853	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CSc1ccc(O)cc1	843979504	OQYKZDXFVHWEJF-CABZTGNLSA-N	310.375	1.057	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1CC(=O)NNC(=O)c1cccc(Cl)c1	746094748	DWTJXXGVYFAOFH-PHIMTYICSA-N	309.797	1.974	50	20	DDGD	
Cn1cc(/C=C\C(=O)NNC(=O)c2cccc3cccnc23)cn1	747428785	LHSOEJWAIKVNGF-FPLPWBNLSA-N	321.340	1.443	50	20	DDGD	
COCCn1c(C)cc(C=NNC(=O)N2CCOCC2)c1C	745603240	YSGXOPCIARMTKM-UHFFFAOYSA-N	308.382	1.127	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cc(C#N)c[nH]2)cc1C	748285733	MUOLRYKUSGLILE-UHFFFAOYSA-N	312.329	1.343	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](C(=O)NNC(=S)NC(C)(C)C)CCO1	929430143	WNTSDYJDVRFXJK-QWRGUYRKSA-N	301.456	1.731	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSc1nnc(C2CC2)s1	746389683	DZTCCVBCZHJKQB-UHFFFAOYSA-N	314.436	1.701	50	20	DDGD	
C[C@]1(CNC(=O)NCCC2(CO)CC2)C[C@H]1Br	856959877	ZBCJXMJVZURXLC-MWLCHTKSSA-N	305.216	1.622	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNC(=O)Cn1ccc2ccccc21	859229976	QWJHDMIHHAEIKY-HNNXBMFYSA-N	317.389	1.994	50	20	DDGD	
CC[C@@H]1COCC1=NNC(=O)c1nn(C)c(=O)c2ccccc12	853272990	XCQJQYXVAHXCEF-SNVBAGLBSA-N	314.345	1.076	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2cccc(OC(F)F)c2)CCOC1	754236158	PFXFDXQMJWHUQY-CQSZACIVSA-N	314.288	1.476	50	20	DDGD	
COCCOCCNC(=O)NC[C@]1(C)C[C@H]1Br	856825843	CKCLZMOGTHPERG-KOLCDFICSA-N	309.204	1.122	50	20	DDGD	
C[C@H]1CCN(CC(=O)NNC(=O)c2cccs2)CC1(C)C	759922777	OHSUUOOCLMEMGN-NSHDSACASA-N	309.435	1.877	50	20	DDGD	
Cn1ncc(Cl)c1C(=O)NC[C@@]1(C)C[C@H]1Br	857408374	VOWVIXJOULEWBT-GMSGAONNSA-N	306.591	1.977	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1ccn(C)n1	758068664	RRRPOGYIRBIJKN-HNNXBMFYSA-N	314.345	1.490	50	20	DDGD	
O=C(CNC(=O)Nc1cccc(Cl)c1)NNc1ccncn1	857521447	IYUMKKYOBRMAAR-UHFFFAOYSA-N	320.740	1.395	50	20	DDGD	
COC(=O)[C@@H](NNC(C)=O)c1ccccc1Br	853074949	HXUVPTGWJPXUMM-JTQLQIEISA-N	301.140	1.304	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNC(=O)OCC(F)(F)F	856026720	JHXXJYHGPNPRIC-UHFFFAOYSA-N	317.223	1.257	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)c2cc(O)ncn2)cc1	858139855	RPXBTRNEAPOREE-UHFFFAOYSA-N	314.345	1.555	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1nc(C(C)(C)C)ns1	756357863	QUJCRWATPHUPIS-UHFFFAOYSA-N	323.382	1.334	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@H](CN)C2)C[C@@H]1Br	857105459	LMAFCTZOZVIKTL-JFGNBEQYSA-N	304.232	1.540	50	20	DDGD	
O=C(NNC(=O)N1CCC2(CCOCC2)C1)c1cccc(F)n1	852708772	IGVDKMQRJUBUCD-UHFFFAOYSA-N	322.340	1.078	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Nc2nn(C)cc2C#N)cc1	756869716	CYJVSFXFCYOGTA-UHFFFAOYSA-N	312.333	1.321	50	20	DDGD	
C[C@]1(CNC(=O)c2nccn3ccnc23)C[C@H]1Br	857389056	XMJPFNBHMNOGAP-PRHODGIISA-N	309.167	1.633	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1cc(C)cc(C(F)(F)F)c1	753840829	UKDUMNYRJLEIPC-UHFFFAOYSA-N	319.239	1.340	50	20	DDGD	
COCCn1ccc(C(=O)NC[C@]2(C)C[C@@H]2Br)n1	857390688	GVJBLZHTGXGAEW-JQWIXIFHSA-N	316.199	1.433	50	20	DDGD	
C[C@@H](OC[C@H]1CCCO1)C(=O)NNC(=O)NC1CCCCC1	921020576	VXJICCTYAUQCSC-DGCLKSJQSA-N	313.398	1.234	50	20	DDGD	
CCOC(=O)CC[C@H](O)CNC[C@@]1(C)C[C@@H]1Br	857241577	YLRFOYDEYIFXDZ-JBLDHEPKSA-N	308.216	1.454	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H]2CCCc3nn[nH]c32)cc1	854656111	DCQBGSVHANJIDN-GFCCVEGCSA-N	301.350	1.767	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CCCN2S(C)(=O)=O)cc1F	856231177	RJUCHYGNCASFEZ-GFCCVEGCSA-N	315.370	1.001	50	20	DDGD	
CN(C)CC(=O)NNC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1	857108473	GLCWTFAJZFCCDR-HUUCEWRRSA-N	303.406	1.354	50	20	DDGD	
COC(=O)N[C@@H](CC(C)C)C(=O)NNc1ncc(Cl)cn1	857355656	HZDXBETXUASRRH-VIFPVBQESA-N	315.761	1.344	50	20	DDGD	
CC(C)c1cccc(C=NNC(=O)Cc2cc(O)nc(O)n2)c1	853312228	MGSBFXPBRCIEIO-UHFFFAOYSA-N	314.345	1.704	50	20	DDGD	
N#C/C(=C\c1cn(CC(=O)O)nn1)C(=O)c1ccccc1F	759075186	HFCUJEAAFRREMI-WEVVVXLNSA-N	300.249	1.292	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C)[C@@H]1CCOC1	853372071	QMBVKRUPMCRXTG-MGPQQGTHSA-N	320.393	1.416	50	20	DDGD	
CCc1nn(C)cc1C(=O)NC[C@@]1(C)C[C@@H]1Br	857395651	SSKIJAJZNMSVFE-CMPLNLGQSA-N	300.200	1.886	50	20	DDGD	
Cc1cc(CNC(=O)NC[C@@]2(C)C[C@@H]2Br)on1	856826607	AWVBYLLJWLMOMW-GXSJLCMTSA-N	302.172	1.956	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@H](CCN)C2)C[C@@H]1Br	857104750	AMJBTYCUYXWJFH-NTZNESFSSA-N	318.259	1.930	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncccn1)c1ccc([S@@](C)=O)cc1	756728021	VUAKSTMLUMNOLR-ZQJOYCHOSA-N	319.390	1.601	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NC[C@@]1(C)C[C@H]1Br	857397740	IUQBEIAURMBACU-CKYFFXLPSA-N	308.216	1.718	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H](C)C[S@](C)=O	753150539	FVJMBZFFMPHWEH-YLVJLNSGSA-N	305.831	1.236	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NNC(=O)c1ccc(C#N)cc1	862993614	PHTOGSDTPPMTQV-CYBMUJFWSA-N	300.362	1.192	50	20	DDGD	
Cc1cccc(NNC(=O)CCn2c(C)cc(O)cc2=O)n1	862522293	PKFZQWNZOTWLHL-UHFFFAOYSA-N	302.334	1.099	50	20	DDGD	
COCCOCC(=O)NNC(=O)/C=C\c1cc(C)c(C)cc1C	869901215	PCGQRMGUDPSAOE-WAYWQWQTSA-N	320.389	1.435	50	20	DDGD	
CCCCCC[C@@](C)(CC)C(=O)NNC(=O)[C@@H]1CCC(=O)N1	862455601	HNTHUSDPKAEFGX-BLLLJJGKSA-N	311.426	1.799	50	20	DDGD	
COC(=O)CCc1cccc(NCc2ccccc2B(O)O)c1	864011050	MRWBNOWMHUOMPN-UHFFFAOYSA-N	313.162	1.084	50	20	DDGD	
COc1ccnc(C(C)=NNC(=O)Cn2nc(C)cc2C)c1	863071703	XAQIHXWMUSBECV-UHFFFAOYSA-N	301.350	1.444	50	20	DDGD	
C[C@@H](NNC(=O)CC1(N2CCOCC2)CCCC1)C(F)(F)F	862313367	GBFVWNGBOFBDBR-LLVKDONJSA-N	323.359	1.593	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2csc(Br)c2)N1	863146715	YJVZFSFAVCNZHO-SSDOTTSWSA-N	316.180	1.239	50	20	DDGD	
COCc1ccc(C=NNC(=O)[C@@H](C)CN2CCCCC2)o1	764665236	DRBGDILPZHZGNR-ZDUSSCGKSA-N	307.394	1.998	50	20	DDGD	
CC(C)(C)OC(=O)N1CC2(CC(=NNC(=O)c3cn[nH]c3)C2)C1	863154075	MWVULYUXNZFYML-UHFFFAOYSA-N	319.365	1.526	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCOc1ccc(F)c(Cl)c1	768408690	AARSGNFJFSPJGQ-UHFFFAOYSA-N	317.748	1.941	50	20	DDGD	
Cc1nnnn1-c1ccc(C(=O)NN[C@@H](C)C(F)(F)F)cc1	862322058	DOSGQXCSTLOZSV-ZETCQYMHSA-N	314.271	1.156	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cc(C(C)C)on2)o1	764367022	DXMGDQBXMFIRJT-UHFFFAOYSA-N	320.305	1.099	50	20	DDGD	
CC(C)n1ncc2ccc(NCc3ccccc3B(O)O)cc21	864028744	AGONEGFVNTZVGK-UHFFFAOYSA-N	309.178	1.909	50	20	DDGD	
CCO[C@H](CC(=O)NNC(=S)N[C@H](C)C1CC1)C(C)C	760880698	NHJUTWMIUKMYLV-ZYHUDNBSSA-N	301.456	1.731	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)Nc1cnn(CCF)c1	861485697	ZBYZNFORJDOUNE-UHFFFAOYSA-N	319.340	1.638	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCSC1)c1cc(Br)c[nH]1	761836810	RUWPJYHIXCNFFD-ZCFIWIBFSA-N	318.196	1.291	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21)[C@@H]1CCCCO1	861854324	VYKRKTNALDMADG-LXTVHRRPSA-N	300.358	1.289	50	20	DDGD	
CCCN(NC(=O)[C@H](C)[C@H]1CCC(=O)N1)C(=O)OC(C)(C)C	861678320	XXLOMJAOVIUINX-GHMZBOCLSA-N	313.398	1.579	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)OCCOC(=O)N(C)C)c1	1116637649	JJJURUTUMMMVDA-UKTHLTGXSA-N	318.329	1.844	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccc(F)cc2)on1)NC1CC1	762062541	STESTFCZKINVRB-UHFFFAOYSA-N	304.281	1.587	50	20	DDGD	
C[C@@H]1CN(C(=O)c2ccc(CNC(=O)CCl)cc2)C[C@@H](C)O1	1116433949	GYPLFPORXAYRRE-VXGBXAGGSA-N	324.808	1.791	50	20	DDGD	
Cc1ccc(-n2[nH]c(C(=O)N3CC=C(C#N)CC3)cc2=O)cc1	760004373	ZIFXHPXZNVNAKN-UHFFFAOYSA-N	308.341	1.770	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NNc1ncc(F)cn1	760911392	HSJSBNCOBVUUFL-UFBFGSQYSA-N	304.281	1.287	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1nn(C)cc1Br	879966754	WNFKARBIAGXARA-LURJTMIESA-N	318.175	1.381	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)Cc1ccccc1SC	772236569	NRMRHMRWOJZEML-JTQLQIEISA-N	324.402	1.440	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(Br)ncc1C	879280171	ZSDKWCLVWRDOPM-UHFFFAOYSA-N	317.187	1.767	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cc(C#N)ccc2OC)n1	775582155	LTILMSOCNWMXNT-UHFFFAOYSA-N	314.305	1.514	50	20	DDGD	
CC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)c1ccc(F)cn1	770592584	WRAQDNCPSFXABM-UHFFFAOYSA-N	317.280	1.865	50	20	DDGD	
O=C(C[C@@H]1CCS(=O)(=O)C1)NNc1ccnc(Cl)c1	1118782370	RVIXEVGATPJRQH-QMMMGPOBSA-N	303.771	1.003	50	20	DDGD	
C=C(C)[C@H](NCC(=O)NNC(=O)C1CC1)c1ccc(F)c(F)c1	775723431	LCCBMRIQEXUCSZ-HNNXBMFYSA-N	323.343	1.729	50	20	DDGD	
C#C[C@H](NC(=O)NNc1cccc([N+](=O)[O-])c1)[C@H]1CCCO1	776228505	QKFKDXKJEXMEQW-QWHCGFSZSA-N	304.306	1.402	50	20	DDGD	
CC#CCCNC(=O)NNC(=O)c1cccc(Br)c1	776205738	PJGYFHGXGDHSIJ-UHFFFAOYSA-N	324.178	1.807	50	20	DDGD	
Cc1cnccc1CNC(=O)NNC(=O)c1ccccc1F	779700212	ZEFJHFSTKVSMJS-UHFFFAOYSA-N	302.309	1.673	50	20	DDGD	
Cc1cccc(NNC(=O)NCCCNc2ccccn2)n1	875093684	GBWKRPWIDXCQNQ-UHFFFAOYSA-N	300.366	1.913	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1cccc(F)c1F	1115955998	VQWFXPLIUVWRTR-UHFFFAOYSA-N	320.299	1.642	50	20	DDGD	
Cc1c(Cl)cncc1NC(=O)NNC(=O)C1CCOCC1	879707084	ZUYKXVDPXPPJLT-UHFFFAOYSA-N	312.757	1.623	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cc(C(=O)OC)cs1	872355021	NRFYWCFGZLRTSU-SECBINFHSA-N	314.363	1.036	50	20	DDGD	
C=C(C)CNC(=O)NNC(=O)c1ccc(OCC)c(OC)c1	777653947	FPGVHTDSVYCIRW-UHFFFAOYSA-N	307.350	1.614	50	20	DDGD	
CC(C)(C)c1cn(CC(=O)NNC(=O)c2cccs2)nn1	880999937	VCDZJQCFBRHMHM-UHFFFAOYSA-N	307.379	1.098	50	20	DDGD	
C[C@]1(Cn2nnnc2N2CCC(F)CC2)C[C@@H]1Br	1120227344	VJMQMVKIDKTHOE-GXSJLCMTSA-N	318.194	1.785	50	20	DDGD	
N#Cc1ccc(NNC(=O)NC[C@@H]2CCCCN2C2CC2)nc1	888893427	DIBGROZPDHVPBX-AWEZNQCLSA-N	314.393	1.596	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)C1CCOCC1)c1cccc(F)c1	883063281	JYJDKQPJXLHURD-PKNBQFBNSA-N	306.337	1.803	50	20	DDGD	
Cn1nc2c(cc1=O)CN(C(=O)c1cccc(CCl)c1)CC2	1120704900	OOQZAPKWHWQWLM-UHFFFAOYSA-N	317.776	1.718	50	20	DDGD	
CO[C@@](C)(C(=O)NNc1ncccc1[N+](=O)[O-])c1ccccc1	776167000	FJRWMPRMLWTGJP-OAHLLOKOSA-N	316.317	1.995	50	20	DDGD	
O=S(=O)(CCCCl)NCCOc1ccc(F)c(F)c1	881866200	JBYPZFTUOGDWLE-UHFFFAOYSA-N	313.753	1.892	50	20	DDGD	
O=C(NNC(=O)C1(F)CCCC1)c1nnc(O)c2ccccc12	771873854	DBXIQVPYIXWPDM-UHFFFAOYSA-N	318.308	1.379	50	20	DDGD	
COC(=O)Cn1cccc1C=NNC(=O)c1ccccc1OC	776185944	IFSGWXNGKMZJEE-UHFFFAOYSA-N	315.329	1.434	50	20	DDGD	
CCn1[nH]c(C)nc1=NC(=O)NNc1c(F)cccc1Cl	888536718	HACWRAZRMYUHHC-UHFFFAOYSA-N	312.736	1.969	50	20	DDGD	
Cc1ncoc1C(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	772951596	DBDMWUWQYHESMM-VIFPVBQESA-N	323.736	1.865	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)c2cccnn2)c(C)c1	883208394	FKMRWPPSNODOMI-UHFFFAOYSA-N	313.361	1.280	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C[C@@H](NC(C)=O)c1ccc(C)cc1	780708864	KHOFGQHALMDLMD-CQSZACIVSA-N	320.393	1.255	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)OCCC2OCCO2)cc1	781128905	KVDIOONNDWMIER-RAXLEYEMSA-N	303.314	1.908	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1ccc(-c2ncco2)cc1	784800994	HNSKCOSOCCQCRN-UHFFFAOYSA-N	323.312	1.818	50	20	DDGD	
COc1ccc(CC(=O)NNc2ncnc3ccsc23)nc1	789992379	ZMLSVSTXKKIPOT-UHFFFAOYSA-N	315.358	1.781	50	20	DDGD	
COC(=O)CCCC(=O)NNC(=O)COc1cc(C)ccc1C	781071672	WHCGMRQSTVRZRH-UHFFFAOYSA-N	322.361	1.173	50	20	DDGD	
Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\C1CC1	786667887	BONLFAOQVYLWMX-NUBYWOLOSA-N	316.361	1.767	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2cccn2C)c1	780837591	JWYOYVDWTPWVPX-UHFFFAOYSA-N	302.334	1.638	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(C)c(OC(C)C)c1	786030088	UFJQMSOCSMGOLM-UHFFFAOYSA-N	309.366	1.971	50	20	DDGD	
COc1cccc(NNC(=O)c2c(C)nc3ccnn3c2C)n1	781025497	SVDMTYCFSDTILW-UHFFFAOYSA-N	312.333	1.507	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Cc2cnn(CC)c2)cc1	780173871	RUUMLNWRQCDUST-UHFFFAOYSA-N	300.362	1.469	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCC(=NNC(=O)CC(F)(F)F)C1	788425864	KUZPNDIAGXRLRW-QMMMGPOBSA-N	300.302	1.398	50	20	DDGD	
CC[C@@H](O)[C@@H](C)C(=O)NNC(=S)Nc1ccccc1OC	899939402	NJNMKGBWAQBBCA-MWLCHTKSSA-N	311.407	1.420	50	20	DDGD	
CC(C)(C#N)c1ccc(C(=O)NNC(=O)Cc2cccnc2)cc1	793428355	YLACKCVKZZFMAX-UHFFFAOYSA-N	322.368	1.886	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCN2CC[C@H](C)C2)c1	897466125	OPJAUDFSGWTPMN-JTQLQIEISA-N	310.423	1.342	50	20	DDGD	
C=CCNC(=S)NNC(=O)C(C)(C)c1ccc(F)cc1F	899939916	ZQSMCOWBIWNSOO-UHFFFAOYSA-N	313.373	1.924	50	20	DDGD	
CS(=O)(=O)c1ccc(/C=C(\C#N)C(=O)C2CCOCC2)cc1	794957081	CENWKLBGDNSQML-GXDHUFHOSA-N	319.382	1.993	50	20	DDGD	
Cc1nc2cccc(C(=O)NNC(=S)NC(C)(C)C)c2[nH]1	899997489	VJQXHJNCCWMDNE-UHFFFAOYSA-N	305.407	1.779	50	20	DDGD	
COc1ccccc1CC(=O)NN=C1CCCc2nn(C)cc21	794494032	HQWWRGLECIGCOF-UHFFFAOYSA-N	312.373	1.828	50	20	DDGD	
C/C(N)=C(/C#N)c1nc(-c2ccc(S(N)(=O)=O)cc2)cs1	798227518	KGXCAOJMRALLHU-DHZHZOJOSA-N	320.399	1.671	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C[C@@H]2CCCO2)c2ccccc2n1	799008191	OOQLUGSHCMXLGM-LBPRGKRZSA-N	313.357	1.873	50	20	DDGD	
CCn1ncc(NC(=O)NNc2ncccn2)c1C(F)(F)F	799237715	ILIAIQUSCOUWSU-UHFFFAOYSA-N	315.259	1.860	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	796538652	GQAOQAAFGWZLAF-MGPQQGTHSA-N	316.467	1.695	50	20	DDGD	
CCOC[C@H](NCC(=O)NNC(=O)c1cccs1)C(C)C	794599177	DQCGAKSKEXTUCG-NSHDSACASA-N	313.423	1.160	50	20	DDGD	
CCN(CC)C[C@H]1CCN(S(=O)(=O)CBr)C1	782451750	CWKFLXLULNIXNT-SNVBAGLBSA-N	313.261	1.332	50	20	DDGD	
CSc1nnc(CCCNC(=O)CCl)n1CC(C)C	1319923334	FMRYRCVUHSNCMG-UHFFFAOYSA-N	304.847	1.944	50	20	DDGD	
N#Cc1ccccc1/C=C/C(=O)NNc1nncc(N)c1Cl	1319406567	YQWAQQZXLJCIJM-AATRIKPKSA-N	314.736	1.740	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C1CC(O)(CCC(C)(C)C)C1	1326412173	GBZGVYWKDSKDCZ-UHFFFAOYSA-N	315.483	1.858	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1CCC(C)(C)C[C@H]1C	1326004469	FZTHMYIOUKXHJV-VOAKCMCISA-N	311.426	1.957	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)nn1C	1322512544	PBKMZUYKFBPRKJ-UHFFFAOYSA-N	311.345	1.581	50	20	DDGD	
Cn1ccc(NNC(=O)C(C)(C)CNC(=O)OC(C)(C)C)n1	1326192541	IWGYYRKEIZVKPY-UHFFFAOYSA-N	311.386	1.414	50	20	DDGD	
C[C@@H]1Nc2ccnn2[C@@H](C)[C@@H]1CCC(=O)NNc1cccnn1	1263774919	OFEFZNTXUSFPHW-SDDRHHMPSA-N	315.381	1.588	50	20	DDGD	
CC(C)[C@@H](C=NNC(=O)CCO)CNC(=O)OC(C)(C)C	1344415671	JOBRBTDSDSXZHZ-LLVKDONJSA-N	301.387	1.268	50	20	DDGD	
Cn1nc2c(cc1=O)CN(C(=O)C1CCC(Cl)CC1)CC2	1348081035	UKMHDRAUBPXNSW-UHFFFAOYSA-N	309.797	1.463	50	20	DDGD	
C[C@H]1CN(CCO)[C@H](C)CN1C(=O)C1CCC(Cl)CC1	1520239021	FTRGMWWBWDISRE-KBHBFKLGSA-N	302.846	1.698	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H]2CCCN(C)C2)cccc1C(=O)O	1607553578	WAZAEWVABQASQR-LLVKDONJSA-N	306.366	1.414	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(C(=O)O)cc2F)ncc1C#N	1607579781	HGNYNNSPBYYPFR-UHFFFAOYSA-N	314.276	1.856	50	20	DDGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1C[C@H](O)C[C@@H](C(=O)O)C1	1601063407	REQRTSFZFDDLND-UDWXAXHUSA-N	317.301	1.227	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H](C)c2csnn2)cccc1C(=O)O	1600051241	NCVQTAPETOBLEG-QMMMGPOBSA-N	321.362	1.932	50	20	DDGD	
N#Cc1ccncc1C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1601128495	OTVLIMYYEXKSDF-UHFFFAOYSA-N	313.225	1.779	50	20	DDGD	
Cc1c(NNC(=O)c2cc(C=O)cn2C)cccc1C(=O)O	1600054251	PXUJMZIPMRBBKI-UHFFFAOYSA-N	301.302	1.601	50	20	DDGD	
O=C(/C=C/c1cncc(O)c1)NNc1cccc(C(=O)O)c1F	1601245784	OBJPGGFDVDORFZ-SNAWJCMRSA-N	317.276	1.781	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)N[C@@H]2CCN(C3CC3)C2)cc1	1602127145	HFUYLIOSWKZLOW-CYBMUJFWSA-N	318.377	1.177	50	20	DDGD	
O=C(NC[C@@H]1CCN(C2CC2)C1)NNc1cccc(C(=O)O)c1	1608433895	CZHFZDIHHUJZNG-NSHDSACASA-N	318.377	1.495	50	20	DDGD	
O=C(O)c1cc(C(=O)NNc2nc(-c3ccccc3)no2)on1	1608837495	QWKBFKFWXYVTJB-UHFFFAOYSA-N	315.245	1.180	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1cnn(C(C)C)c1	1549319621	WGBJCXALSDSBOH-LSDHHAIUSA-N	319.409	1.167	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1ccc(C(C)(C)N)cc1	1579974338	MREKEKLDGJUTAQ-UHFFFAOYSA-N	315.377	1.685	50	20	DDGD	
CC1(C)[C@@H](C(=O)NNC(=O)Nc2cc(F)cc(F)c2)C[C@H]1N	1576370975	IACPYRHRZDGMST-GHMZBOCLSA-N	312.320	1.491	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1Cc2ccccc2[C@H]1N	1579788790	SNCOWEHMUACTJW-HZPDHXFCSA-N	324.384	1.564	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)Nc1ccc2c(c1)OCO2)[C@@H](C)N	1575414710	RVHWBZVQMDHSKU-NOZJJQNGSA-N	322.365	1.187	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCC[C@@](N)(CO)C1	1580035671	CQPVKOCILKGHOO-RQPMMQJISA-N	303.337	1.045	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)c1cc(C2CCNCC2)no1	1580739269	BHQLGEUOJAUJGG-UHFFFAOYSA-N	321.768	1.947	50	20	DDGD	
CC(=NNC(=O)C(=O)NC(C)C)c1ccc(C(=O)O)cc1C	1589011315	URKCTJCBXUEAKP-UHFFFAOYSA-N	305.334	1.058	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cnc[nH]1)C2	1841667409	JLNVCQMVIQVSJS-NSHDSACASA-N	324.812	1.634	50	20	DDGD	
N[C@@H]1CC=C(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)C1	1580168117	AKHSIBXCJLYPMM-LLVKDONJSA-N	319.752	1.881	50	20	DDGD	
C[C@]1(C(=O)NC[C@@H](CC(=O)O)C2CC2)C[C@@H]1Br	1593749685	SEOGAWRLXBZBIS-PTRXPTGYSA-N	304.184	1.777	50	20	DDGD	
CCC(=O)N1CC2(CCCN2C(=O)[C@@H](C)CBr)C1	1841286896	HKLHGRUJDXZHNB-JTQLQIEISA-N	317.227	1.631	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](C(=O)O)c1ccc(OC)cc1	1596864345	UZRKDEDMHVSTKB-YGNAEDSMSA-N	304.302	1.381	50	20	DDGD	
CO[C@@H]1COCC[C@H]1CC(=O)NNc1ccccc1C(=O)O	1599141369	WZAUXYAMDGQCRX-GXFFZTMASA-N	308.334	1.270	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NNc2ccc(C(=O)O)cn2)C1	1594623452	CUNIKTYTGIHBKL-KCJUWKMLSA-N	315.333	1.312	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@H]1CCC(=O)c2cccn21	1595261908	LSLMBBGVZIRYOZ-LLVKDONJSA-N	314.301	1.242	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(Cl)c(C(=O)O)c1	1596463152	QSEMYLXXDOMAKE-UHFFFAOYSA-N	314.729	1.736	50	20	DDGD	
CCOc1c(Cl)cc(C=NNC(=O)C(=O)O)cc1OC	1596987017	KAIYEUNLMWRCMA-UHFFFAOYSA-N	300.698	1.282	50	20	DDGD	
Nc1ccc(C(=O)NN=Cc2ccc(C(=O)O)c(F)c2)cc1	1776014967	UGMXTRVIJYQRFX-UHFFFAOYSA-N	301.277	1.870	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=C(C)c1cccc(OCC(=O)O)c1	1776102151	IFGJPTSXSDLOEF-ZIAGYGMSSA-N	320.345	1.415	50	20	DDGD	
CC[C@@H](C)CN(CC)CC(=O)NNC(=O)c1ccc(F)cc1	160551246	UNLALVQSOJVVKY-GFCCVEGCSA-N	309.385	1.955	50	20	DDGD	
CO[C@H](C)CC(=O)NNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1	151255334	QWJDNVCKBFJSTB-SECBINFHSA-N	320.324	1.402	50	20	DDGD	
BrC[C@H](CN1CCN([C@H]2CCOC2)CC1)C1CC1	859207573	SVCWYVJFRUWFIL-KGLIPLIRSA-N	317.271	1.814	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)C1(F)CCOCC1	869376701	YHAMEWDWIDNWIR-UHFFFAOYSA-N	310.325	1.805	50	20	DDGD	
Cc1cc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)ccc1F	103361251	XZJYWWXVTQQEFV-GFCCVEGCSA-N	314.382	1.240	50	20	DDGD	
O=S(=O)(CCl)N1CCN(c2cccc(Cl)c2)CC1	111000341	XHMDKVQRABRREI-UHFFFAOYSA-N	309.218	1.988	50	20	DDGD	
COCC[C@H](C)NC(=O)NNC(=O)c1ccc2ccccc2n1	101611558	MJTDBXVAMJZZQV-NSHDSACASA-N	316.361	1.604	50	20	DDGD	
CCc1ccc([C@@H](COC)NC(=O)NNc2ccc(C)nn2)o1	173515651	UKTFIFNXCWTNEZ-GFCCVEGCSA-N	319.365	1.954	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCN(C)[C@@H](C)CC)cc1	66197171	WCFMJPBVBIAKTP-ZDUSSCGKSA-N	320.437	1.923	50	20	DDGD	
CC[C@H](C)C[C@@H](C)NC(=O)NNC(=O)CNC(=O)c1ccco1	176229624	BDWPYDOTXYRWET-WDEREUQCSA-N	324.381	1.165	50	20	DDGD	
COC(=O)[C@H](NNC(=O)c1cccc(C#N)c1)c1ccccc1	117940523	BSNRKFFVJHHBOP-OAHLLOKOSA-N	309.325	1.707	50	20	DDGD	
COCCCCC(=O)NNc1nc2ccccc2c(=O)n1C	113188012	HJWCLHKMKUTWKX-UHFFFAOYSA-N	304.350	1.193	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNC(=O)NC2CCCC2)cn1	65919514	DHBZLSODKLEAOF-UHFFFAOYSA-N	306.366	1.755	50	20	DDGD	
O=C(CC1CCOCC1)NNC(=O)c1cccc([N+](=O)[O-])c1	117119268	NYJOAJQHQQBEME-UHFFFAOYSA-N	307.306	1.173	50	20	DDGD	
Cc1nn(C)cc1C(=O)NNC(=S)NCCc1cccs1	113459957	ONHFMDZQBRPEOC-UHFFFAOYSA-N	323.447	1.142	50	20	DDGD	
O=C(CCC(=O)c1ccccc1)NNC(=O)NC1CCCC1	65920794	XXHPPOSXYPXPMY-UHFFFAOYSA-N	303.362	1.923	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@@H](C)CSC)cc1	66928654	ZXRBLRKNKUWITK-JTQLQIEISA-N	311.407	1.254	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNc1cc(F)c(F)c(F)c1	128810990	PYLDMPKCDMFFLD-UHFFFAOYSA-N	305.256	1.682	50	20	DDGD	
Cc1cc(NNC(=O)C[C@@H](C)NC(=O)C2CCCC2)nc(C)n1	128781431	AXAKLDHTPGMAOR-LLVKDONJSA-N	319.409	1.622	50	20	DDGD	
CN(CC(C)(CO)CO)C(=O)/C(C#N)=C\c1ccc(F)cc1	183786807	PSNMSYRZTAEZFR-QPEQYQDCSA-N	306.337	1.182	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCc2cccs2)cc1	120154634	LSEVYCQPBQUPOX-UHFFFAOYSA-N	319.386	1.966	50	20	DDGD	
C[C@H](CCOc1ccccc1)C(=O)NNC(=O)[C@@H]1CCCO1	73017785	IWFVWDAXAQCAEE-OCCSQVGLSA-N	306.362	1.418	50	20	DDGD	
C[S@@](=O)c1ccc(C(=O)NNC(=O)c2ccccc2O)cc1	73357148	VOUFUKBUYKCIGF-QFIPXVFZSA-N	318.354	1.204	50	20	DDGD	
C[C@H](NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)C1CCCCC1	74502677	INUWXWGMRYGJEC-FZMZJTMJSA-N	317.455	1.336	50	20	DDGD	
COc1ccccc1NCC(=O)NNc1nnc(C2CC2)s1	184456092	GUTADWKGGIUTDI-UHFFFAOYSA-N	319.390	1.979	50	20	DDGD	
O=S(=O)(CBr)N1CC[C@@H](CN2CCCC2)C1	368482266	LZTFTBPKRMOOQP-JTQLQIEISA-N	311.245	1.086	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccc(F)nc1	72825264	KIMWGPLGBMQUCJ-UHFFFAOYSA-N	313.292	1.252	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1cccc(Cl)n1	124972509	FORZCEJHHCOCFE-UHFFFAOYSA-N	324.793	1.983	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2cc(C)ncn2)cc1	122932440	HJZFANOIFNJBNL-UHFFFAOYSA-N	316.386	1.647	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cnn(Cc2ccccc2)c1	186008652	MNAKXOYJWYIPNX-UHFFFAOYSA-N	317.349	1.121	50	20	DDGD	
COc1ccc2c(c1)OC[C@H](C(=O)NNC(=O)c1ccc[nH]1)C2	133308943	YSWLCMSUCHSYGR-LLVKDONJSA-N	315.329	1.036	50	20	DDGD	
Cc1cc(NNC(=O)c2ccnc(OCC(F)F)c2)nc(C)n1	89494894	GRXTYQFTXFNKJT-UHFFFAOYSA-N	323.303	1.889	50	20	DDGD	
C=C[C@H](CC(=O)NNc1ccc(C(N)=O)nn1)c1ccccc1	89506066	IIHJYJGDXQPNTJ-LLVKDONJSA-N	311.345	1.379	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cc(F)c(F)c(F)c1	191922584	HRMIJMVFPUKRRU-UHFFFAOYSA-N	307.235	1.904	50	20	DDGD	
CO[C@@]1(C)C[C@H](NC(=O)NNC(=O)Cc2cccnc2)C1(C)C	80604685	DANWHWDQINXXBD-LRDDRELGSA-N	320.393	1.158	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C(C)(C)C)cc1[N+](=O)[O-]	130804370	KNOYCOILSRXPTM-UHFFFAOYSA-N	309.322	1.801	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)c1ccc(C2CCC2)cc1	191252002	LKEVJXMDZNPGPE-UHFFFAOYSA-N	303.362	1.240	50	20	DDGD	
Cc1[nH]c2ccccc2c1C(=O)NNC(=O)Cc1ccncc1	82977650	RUHCPDGIBBMXAD-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)Nc1ccc(Cl)nc1	146473960	YBBGVWGQRUSEEC-UHFFFAOYSA-N	306.709	1.907	50	20	DDGD	
O=C(NCc1ccccc1-n1ccnc1)NNC(=O)c1ccc[nH]1	98033546	WXPNBTSYQDHXFB-UHFFFAOYSA-N	324.344	1.345	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNc1cccc([N+](=O)[O-])c1C	269616686	QPMQVBSEGKVSAO-UHFFFAOYSA-N	310.310	1.481	50	20	DDGD	
CN(C)C(=O)c1cccc(C(=O)NNC(=O)OC(C)(C)C)c1	264173470	WOKKMZYWVIGBOF-UHFFFAOYSA-N	307.350	1.558	50	20	DDGD	
CNC(=O)C(C)(C)CNC(=O)NNC(=O)Nc1ccccc1C	269447922	SLPNGZIWEVXFFT-UHFFFAOYSA-N	321.381	1.103	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccc(C(=O)N(C)CC)c1	272684837	ORYZIWXGEZPLRV-UHFFFAOYSA-N	306.366	1.085	50	20	DDGD	
COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)NNC(C)=O	276204541	OKANQBRFQNQINZ-MRVPVSSYSA-N	315.757	1.926	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1sccc1Br	271240959	ABLUZBLTRYEJMY-UHFFFAOYSA-N	306.185	1.817	50	20	DDGD	
CO[C@H]1CCC[C@@H](CC(=O)NNC(=O)c2cccc(C)n2)C1	279795762	LCDPUBGDZBLWTJ-OLZOCXBDSA-N	305.378	1.746	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)CNc1ccc(OC)cc1	274214224	NUGJDNUIGLQORS-UHFFFAOYSA-N	323.393	1.317	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(CN(CC)CC)cc1	272712735	YBTILKWKFAGVAR-UHFFFAOYSA-N	306.410	1.835	50	20	DDGD	
O=C(NNc1c(F)cccc1F)[C@H]1CCCCS1(=O)=O	275093210	VDWVCKLCKLGSTR-SNVBAGLBSA-N	304.318	1.375	50	20	DDGD	
Cc1cccnc1NNC(=O)C1CCN(C(=O)N(C)C)CC1	276687227	GPENYYBBNJMFOH-UHFFFAOYSA-N	305.382	1.227	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(CSc2nccn2C)o1	274292257	NALIZFHMDMATLK-UHFFFAOYSA-N	310.335	1.306	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H](NC(=O)NNc2cccc(OC)n2)C1	279004276	RXBZIFKYQXPCNH-VHSXEESVSA-N	308.338	1.058	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cccc(C)c1C	276656120	ZPLSTYCHDNVUAY-UHFFFAOYSA-N	308.378	1.854	50	20	DDGD	
CC(=O)N1CC[C@@](C)(C(=O)NNC(=O)CCc2ccccc2)C1	368403582	FBQZSJYVXUCFOL-QGZVFWFLSA-N	317.389	1.025	50	20	DDGD	
Cc1coc2ccc(NC(=O)C(=O)NNC(=O)CC3CC3)cc12	275070800	PHGIPRFIJJXRJS-UHFFFAOYSA-N	315.329	1.627	50	20	DDGD	
CC(=O)CC(C)(C)CC(=O)NNc1nc(-c2cccnc2)no1	276537035	MRUFSFSTUIPZSQ-UHFFFAOYSA-N	317.349	1.970	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc(OC2CCCC2)nc1	272974322	JYEITSXPFSKMAW-UHFFFAOYSA-N	303.362	1.964	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)C3=CCCCCC3)nc21	274966069	JTHNQQXEBDFHIN-UHFFFAOYSA-N	302.338	1.403	50	20	DDGD	
C=C(CBr)CN1CC[C@@H](OC)C[C@@H]1C(=O)OC	377068080	PWBYOYSPPRULFV-GHMZBOCLSA-N	306.200	1.590	50	20	DDGD	
C[C@@H]1CC=CC[C@H]1C(=O)NNC(=O)COc1ccccc1O	284210121	INTZGDOKLOIDSD-VXGBXAGGSA-N	304.346	1.521	50	20	DDGD	
Cn1cc(-c2ncccc2NC(=O)NNc2ncccn2)cn1	372771517	ZXMDRTYXPMMXOG-UHFFFAOYSA-N	310.321	1.421	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)CNc1ccc(C)cc1C)C1CC1	280670108	UQOMBZIDARQECZ-HNNXBMFYSA-N	305.378	1.288	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H](OC)C2CC2)c1	280766345	MLIUSFSTRGTTMS-ZDUSSCGKSA-N	303.387	1.411	50	20	DDGD	
Cc1cnn([C@@H]2CCN(S(=O)(=O)CBr)C2)c1	289550858	OFNWKZSOAQVMBW-SECBINFHSA-N	308.201	1.121	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccoc1C(C)C	288035366	QZCXMWRWKRBLPX-UHFFFAOYSA-N	312.366	1.953	50	20	DDGD	
COCCN(C)NC(=O)[C@@H](c1ccccc1)N1CCCCC1=O	288471011	KNGFWTGVGGFZHP-MRXNPFEDSA-N	319.405	1.350	50	20	DDGD	
C[C@](O)(CCc1ccccc1)C(=O)NNc1ncc(F)cn1	801180744	ODSUREZIDWABNK-HNNXBMFYSA-N	304.325	1.443	50	20	DDGD	
O=C(NCCn1ccnc1)NNc1cc(C(F)(F)F)ccn1	296367911	ISVUGNULFAMZMO-UHFFFAOYSA-N	314.271	1.623	50	20	DDGD	
O=C(CCc1ccc(Cl)cc1)NNC(=O)[C@H]1CCCCO1	295573640	NSHVJFQHXABZMZ-CYBMUJFWSA-N	310.781	1.989	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ncn(C(C)(C)C)n2)cc1	291005946	UHFHUJIPVIDJBL-UHFFFAOYSA-N	315.377	1.670	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1C[C@@H](C)CC1(C)C	299277079	MSIZIBPHWNXYGR-ZDUSSCGKSA-N	317.433	1.805	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)NNc2ncncc2F)C1	293181611	YMDQQOGVDCKUHG-GRYCIOLGSA-N	324.404	1.608	50	20	DDGD	
COc1cc(C#N)ccc1OCC(=O)NNc1ncccc1F	804211245	ISDJAVFRDARBBE-UHFFFAOYSA-N	316.292	1.623	50	20	DDGD	
Cc1cc(NNC(=O)c2coc3c2C(=O)CCC3)nc(C)n1	295701806	CBLRFXAHGNXCRB-UHFFFAOYSA-N	300.318	1.962	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCC2)NNC(=O)[C@@H]1CCCCO1	295586071	OTGUZTLIELIJCF-HNNXBMFYSA-N	302.374	1.434	50	20	DDGD	
COc1cnc(NC(=O)NNC(=O)c2ccccc2O)s1	806513672	ILSRTZUTOCZLDJ-UHFFFAOYSA-N	308.319	1.324	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)N2CCOCC2)c(C)c1	299396834	UKDVSDQOAUCDNW-UHFFFAOYSA-N	321.377	1.145	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1CC(c2cccnc2)=NO1	808245882	HSAODFZXGGBVOZ-JTQLQIEISA-N	302.161	1.837	50	20	DDGD	
CCCC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccn1	814815639	FNPLITAMTMYKHS-NSHDSACASA-N	324.406	1.072	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)C1CCCC1)c1ccc(Cl)cc1	814990952	LUHDTHGDVJIJJS-OAHLLOKOSA-N	310.781	1.885	50	20	DDGD	
Cn1ccc(CCC(=O)NNC(=O)Nc2cc(F)cc(F)c2)n1	816595383	LSWMCOXGZIEEJX-UHFFFAOYSA-N	323.303	1.484	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)Cc2ccc(Cl)cc2)cn1	814757214	SCUMJELQCRICSB-UHFFFAOYSA-N	317.780	1.889	50	20	DDGD	
CN1CCN([C@@H](C(=O)NN(C)C2CC2)c2ccccc2)CC1	819647574	OYGGAVVXBXVDKA-MRXNPFEDSA-N	302.422	1.101	50	20	DDGD	
O=C(NNC(=O)c1scnc1C(F)(F)F)c1ccccn1	816808703	WEUDFBBKHWLWDN-UHFFFAOYSA-N	316.264	1.632	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccc(Cl)cc1)c1ccccc1F	813364463	SFZLHFLIJFMHMX-CYBMUJFWSA-N	322.723	1.974	50	20	DDGD	
CNC(=O)NN=C(C)c1ccc(OCc2nccn2C)cc1	814814187	ANPISLZAONQDOC-UHFFFAOYSA-N	301.350	1.652	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H]1CCC[C@@H](OC)C1	814409712	SZOPUNTXBXQANV-NWDGAFQWSA-N	306.362	1.661	50	20	DDGD	
C[C@@H]1CN(c2ccnc(C(=O)NN(C)C3CC3)c2)C[C@@H](C)O1	819651022	DBLZQDYRGGLHRL-VXGBXAGGSA-N	304.394	1.434	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(N2CCCCCC2)nc1	823960105	VZVPPQHLNZIRTQ-CYBMUJFWSA-N	306.410	1.419	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)N[C@H]2CO[C@H](C)C2)c1	828420251	KBKNBZBPGLRBSG-CHWSQXEVSA-N	321.377	1.190	50	20	DDGD	
CC(C)C[C@@H](CCO)CNC(=O)/C(C#N)=C/c1cnn(C)c1	491080779	FDZCKYROFPQBPM-BKNIFWKGSA-N	304.394	1.488	50	20	DDGD	
Cc1cccc2c1OC[C@@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C2	491105128	PLBQCPMCKDAQGF-PJVYJYFWSA-N	322.368	1.755	50	20	DDGD	
O=C(C[C@@H]1CSc2ccccc2O1)NNC(=O)NCC1CC1	825421434	XFDWQMKDSFZBDG-LLVKDONJSA-N	321.402	1.670	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(-c2ccc(F)cc2)n1C	821217889	QPXSOIMSUFCXEO-NSHDSACASA-N	305.353	1.789	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)OC	491010785	NEIZAFRBOHUBGI-VLMALBHFSA-N	304.350	1.031	50	20	DDGD	
CN1CCCC[C@@H](C(=O)NNc2cc(F)c(F)c(F)c2)C1=O	821163859	NGPIYIDLHLHKTE-VIFPVBQESA-N	315.295	1.806	50	20	DDGD	
O=C1CSC[C@@H](C(=O)NNc2cccc(Cl)c2Cl)N1	822498780	KJGZJCVOXNQWFY-QMMMGPOBSA-N	320.201	1.668	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)c1cc(-c2cccs2)[nH]n1	491307582	QVCCTLJKTMCZJI-UHFFFAOYSA-N	324.369	1.732	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)Cc1cccc(Cl)c1	821131767	BNRMIOYDTWXCRT-UHFFFAOYSA-N	304.799	1.837	50	20	DDGD	
Cc1ccc2c(CC(=O)NNC(=O)c3ccccn3)c[nH]c2c1	726155566	VFRCYGBHFUREPP-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
CC(C)[C@@H](C(=O)NN(C)[C@H](C)CO)N1Cc2ccccc2C1=O	823913594	XNAVSCGNXPZLNM-DOMZBBRYSA-N	319.405	1.011	50	20	DDGD	
CC[C@H](C)[C@@H](C)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	495393730	UEHOJEQUKUEFOL-WDEREUQCSA-N	315.414	1.731	50	20	DDGD	
C[C@@]1(C(=O)NCCCN2CCC(O)CC2)C[C@H]1Br	906740155	TYTPNIONLDMTQU-DGCLKSJQSA-N	319.243	1.123	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2ccc(C)cn2)n1	827881967	OCZLIMFVWFRTFT-UHFFFAOYSA-N	302.338	1.323	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cccc(O[C@H](C)CC)c1	495666910	BZAGUUKIJSLBQD-SNVBAGLBSA-N	323.349	1.580	50	20	DDGD	
C[C@@]1(C(=O)NCCNC(=O)c2ccco2)C[C@H]1Br	905775118	ONZWLWNHCNPLIL-BXKDBHETSA-N	315.167	1.299	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F	495271631	TUBSDJGHHLHFFI-UHFFFAOYSA-N	323.202	1.170	50	20	DDGD	
O=C(NN=C1C[C@@]2(CCOC2)Oc2ccccc21)c1ccnnc1	901256296	ZSZVEVZDAIBPBR-QGZVFWFLSA-N	324.340	1.552	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)OC[C@@H]2CNC(=O)O2)c1	495716427	IBEBVMNNAZUBJV-KKNAONHISA-N	302.286	1.254	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1ccnn1CC1CCC1	901260495	YVGFCYOQJJGBMV-OCCSQVGLSA-N	304.394	1.948	50	20	DDGD	
OB(O)c1ccc(CNC[C@H]2CCCC(F)(F)C2)c(F)c1	585041885	HZPMZDLFMYCQPK-JTQLQIEISA-N	301.117	1.421	50	20	DDGD	
O=CN1CCC[C@@H]1C(=O)NNc1ccccc1C(F)(F)F	820683238	YRSTZKIMKISHKE-LLVKDONJSA-N	301.268	1.769	50	20	DDGD	
CCN(CC)C(=O)CCCNC(=O)NNc1ccc(F)cn1	731359373	JVFBNOCVKNGACA-UHFFFAOYSA-N	311.361	1.495	50	20	DDGD	
COC(=O)NN=C1CCOC[C@H]1[C@H](C)NC(=O)OC(C)(C)C	495447143	CTXSUFLRGNKHCH-UWVGGRQHSA-N	315.370	1.648	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(C)[C@@H](c1ccccc1)c1nc[nH]n1	909483122	XXMGKOCYJNRAIN-ZVHGMHCTSA-N	311.345	1.796	50	20	DDGD	
COc1ccc2cccc(CC(=O)N3CC[C@H](B(O)O)C3)c2c1	585063958	AGOAHEVYDYLRQW-AWEZNQCLSA-N	313.162	1.466	50	20	DDGD	
CSc1ccc(C(=O)N2CC[C@H](B(O)O)C2)cc1[N+](=O)[O-]	585075734	UPALOGSVECXOFP-VIFPVBQESA-N	310.140	1.006	50	20	DDGD	
OC[C@H](CNCc1ccc(B(O)O)cc1F)CC1CCCCC1	585037791	KCGAIJNEOPTJHJ-AWEZNQCLSA-N	323.217	1.174	50	20	DDGD	
C[C@H]1CCCCN1CCCCNCc1ccc(B(O)O)cc1	585015641	IHUJCLBTQOQCEH-HNNXBMFYSA-N	304.243	1.111	50	20	DDGD	
CN(C)C(=O)NN=Cc1ccccc1OCC(=O)NCC1CC1	734747982	FZXZDDMARBUDOV-UHFFFAOYSA-N	318.377	1.197	50	20	DDGD	
CC(C)(C)[C@H](NC(N)=O)C(=O)NNc1cc(C#N)cc(Cl)n1	839717063	KVVSGCKYYZILKQ-SNVBAGLBSA-N	324.772	1.133	50	20	DDGD	
COC(=O)NN=C1C(=O)Nc2c(Br)cc(C)cc21	735609598	WXOQNNMWSOXRET-UHFFFAOYSA-N	312.123	1.770	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2O[C@H]3C=C[C@H]2CC3)cc(C#N)n1C	831525473	WLBSHPVCNSTSNX-UYGWQNBPSA-N	308.341	1.973	50	20	DDGD	
CC(C)[C@H](CO)[C@@H](NCC(=O)NNC(=O)C(C)(C)C)C(C)C	831664020	OIXLXVIUIRVRRS-JSGCOSHPSA-N	315.458	1.059	50	20	DDGD	
C=CCC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1	735613282	YFWDAROXPCYWMK-GFCCVEGCSA-N	324.377	1.657	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccccc1N(C)C	831184760	UQHPHCGOMNPVCY-QWRGUYRKSA-N	306.366	1.330	50	20	DDGD	
COc1cc2c(cc1CNS(=O)(=O)CCl)O[C@H](C)C2	830918964	PIAVRUORBSFJNK-MRVPVSSYSA-N	305.783	1.634	50	20	DDGD	
CCOc1ccc(C(=O)NNC2=N[C@H]3C=C[C@H]2C3)cc1OC	739414049	UYQOJGOYLYVMGD-JQWIXIFHSA-N	301.346	1.685	50	20	DDGD	
N#Cc1ccccc1COc1cccc(C=NNC(=O)C(N)=O)c1	731315047	TXLLSOAJUHMZQP-UHFFFAOYSA-N	322.324	1.073	50	20	DDGD	
C[C@]1(C(=O)NC[C@@H](O)C2CCOCC2)C[C@@H]1Br	907013009	MLYTXIBPYRVPKO-SCVCMEIPSA-N	306.200	1.064	50	20	DDGD	
Cc1cc(NNC(=O)c2nc(C)n(-c3ccccc3)n2)nc(C)n1	736711989	WFIDRSUKTMQMIF-UHFFFAOYSA-N	323.360	1.739	50	20	DDGD	
CC(C)(C)CCC(=O)OCC(=O)NNC(=O)c1cccs1	738808327	LVRMPZIKBNZREU-UHFFFAOYSA-N	312.391	1.879	50	20	DDGD	
CCNC(=O)NN=C(C)[C@H]1CN(Cc2ccccc2)CCO1	735613761	IPZYIAVGGTZFSA-OAHLLOKOSA-N	304.394	1.582	50	20	DDGD	
CC[C@@H](CNCc1ccc(B(O)O)o1)Oc1cccc(Cl)c1	585031202	STPNZTVEGRUWHC-LBPRGKRZSA-N	323.585	1.560	50	20	DDGD	
O=C(NNc1ccc(Br)nc1)[C@@H]1C[C@H]2CC[C@H]1O2	733806427	CMGHGXPRABKCCY-OPRDCNLKSA-N	312.167	1.855	50	20	DDGD	
Cc1nn(C(C)C)c(C)c1C=NNC(=O)C(=O)N1CCCC1	901182251	IUHPUOZYYCADLD-UHFFFAOYSA-N	305.382	1.153	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCC[C@H]2Oc2ccccc2)o1	585023168	HOKUVHJHNZODSN-LSDHHAIUSA-N	301.151	1.049	50	20	DDGD	
O=C(CC(Cc1ccccc1)Cc1ccccc1)NCB(O)O	585060038	KFMKLDZFTNMZCZ-UHFFFAOYSA-N	311.190	1.606	50	20	DDGD	
C[C@H]1CCC[C@@H](OCC(=O)NNC(=O)Cc2cccnc2)C1	732936222	GCKGAZAGUBMRFY-GXTWGEPZSA-N	305.378	1.367	50	20	DDGD	
CCOc1cccc([C@H](C)NCc2ccc(B(O)O)cc2F)c1	585021156	QAZYNYWEQIOIJG-LBPRGKRZSA-N	317.169	1.755	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H]2CCOC[C@H]2OCC)cc1	838553080	RKDFUKXEBPYVCV-LSDHHAIUSA-N	323.393	1.905	50	20	DDGD	
O=Cc1ccc(OC(F)(F)C(=O)NNc2ncccn2)cc1	731606136	KSOQYHIJBCZRMS-UHFFFAOYSA-N	308.244	1.404	50	20	DDGD	
COc1cc(C(=O)NN=C(C)CCN(C)C)cc(OC)c1OC	915939867	SBWSVVZIYRONLL-UHFFFAOYSA-N	323.393	1.770	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cnc3c(c2)c(C)nn3C)n[nH]1	747612120	VLOPGSGSHZRALN-UHFFFAOYSA-N	311.349	1.001	50	20	DDGD	
COc1ccc(Br)c(NNC(=O)C(C)(C)CO)c1	848225023	FIFCZOPWPYZWAO-UHFFFAOYSA-N	317.183	1.919	50	20	DDGD	
CSc1ccc(C=NNC(=O)[C@@H](C)CN2CCOCC2)cc1	916361758	FLHBILBXCGDSJR-ZDUSSCGKSA-N	321.446	1.827	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)COc1ccc(C)c(C)c1	749757502	NTWXTGPDCACBHB-GFCCVEGCSA-N	309.435	1.976	50	20	DDGD	
O=C(NNC(=O)C1CC(OCc2ccccc2)C1)C1CCC1	746853330	UPJSJVJNRLJWDW-UHFFFAOYSA-N	302.374	1.929	50	20	DDGD	
CCCNC(=O)NN=C(C)c1ccc(OCC(=O)OC)cc1	745006116	QEXCRXHEOCZKGX-UHFFFAOYSA-N	307.350	1.672	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@@H]1CCO[C@H]1c1ccncc1	845932144	XALMPWDQLSDBFG-OCCSQVGLSA-N	302.309	1.837	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2ccc(C(=O)O)[nH]2)cc1	749812023	JNNUBMRGNACLFN-UHFFFAOYSA-N	300.318	1.584	50	20	DDGD	
CCCNC(=O)NN=Cc1cccn1CC(=O)OC(C)(C)C	841621310	AJTVMOHSPFQOCE-UHFFFAOYSA-N	308.382	1.873	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1cccc(OCC(=O)O)c1	842552599	BIXFEUOWEJMXHY-RISCZKNCSA-N	320.345	1.415	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1cnc2c(c1)C[C@@H](N)CC2	841321352	HEZOJTUXWILIPL-NSHDSACASA-N	319.409	1.487	50	20	DDGD	
COC(=O)c1ccccc1CSCC(=O)NNC(=O)C1CC1	845346229	SHSNICDYSACXTP-UHFFFAOYSA-N	322.386	1.264	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@@H]1NC(=O)O[C@@H]1C	841413960	OHTIOQSPKDZGQX-BXKDBHETSA-N	300.318	1.483	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@H](CC1CC1)NC(=O)OC(C)(C)C	910181517	BZIVIUFGTUZQBZ-ZYHUDNBSSA-N	315.414	1.024	50	20	DDGD	
COC(=O)c1ccccc1C=NNC(=O)Cc1csc(C)n1	744739017	ZWJFLNSMWNAQAY-UHFFFAOYSA-N	317.370	1.931	50	20	DDGD	
CO[C@]1(C)C[C@@H](NC(=O)NNC(=O)CC(F)(F)F)C1(C)C	745935400	LYPMMZDHTISHDL-RDDDGLTNSA-N	311.304	1.473	50	20	DDGD	
Cn1ccnc1[C@@H](CC(=O)NNC(=O)CC1CC1)C(F)(F)F	848144416	SYMDUAZCWOISRW-SECBINFHSA-N	318.299	1.404	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H](C)CCOc1ccccc1	744478188	VMLYPGSNXPYOQE-ZDUSSCGKSA-N	323.393	1.459	50	20	DDGD	
C[C@H](CN1CCCCCC1)C(=O)NN=Cc1ccc(C(=O)O)[nH]1	749809932	MOOXODXKNOFEEW-GFCCVEGCSA-N	320.393	1.675	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1scnc1C	915112204	YEDJBZOHTBOAFR-JTQLQIEISA-N	310.423	1.260	50	20	DDGD	
C[C@@]1(C(=O)NCc2cnc(Cl)cn2)C[C@H]1Br	910029904	HRRYUSXKNJNDJS-GMSGAONNSA-N	304.575	1.920	50	20	DDGD	
Cc1[nH]nc(C(F)(F)F)c1C(=O)NNC(=O)NC1CCCC1	746594160	WEXNUDPAKQMRRR-UHFFFAOYSA-N	319.287	1.624	50	20	DDGD	
CC[C@H](Cc1ccccc1)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843652822	VBMPBYJLJSJXHF-YUELXQCFSA-N	304.390	1.828	50	20	DDGD	
C[C@@H](C(=O)NNc1nccn(C)c1=O)c1cccc(Cl)c1	747942043	SJNGOYBDCKXXIL-SECBINFHSA-N	306.753	1.681	50	20	DDGD	
Cc1nnc(NNC(=O)COC[C@@H](C)c2ccccc2)nc1O	846627886	JBKKQYDEZDTNRG-SNVBAGLBSA-N	317.349	1.149	50	20	DDGD	
NC(=O)c1ccc(C=NNC(=O)COc2ccc(F)cc2)cc1	915949594	NNSULPSCZSUYDD-UHFFFAOYSA-N	315.304	1.454	50	20	DDGD	
C=CCCC(=O)NNC(=O)c1cc(Br)ccc1O	743731661	XDDYYDDBQAWXRH-UHFFFAOYSA-N	313.151	1.882	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C2CC3(CCC3)C2)c1O	844133597	WQDQPEUMSRFUTG-UHFFFAOYSA-N	304.346	1.742	50	20	DDGD	
CC(=O)N1CC[C@@H](NC(=O)NNc2ccc(F)cc2Cl)C1	923372337	FKMASESJYIPVBI-SNVBAGLBSA-N	314.748	1.726	50	20	DDGD	
CO[C@H](C=NNC(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CCOC1	841625755	LNSKPMNQBYNKAS-NOZJJQNGSA-N	323.305	1.068	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C[C@H]1CCc2ccccc2C1	843651857	PLSGHEIZEVRSHD-HEHGZKQESA-N	316.401	1.754	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCC(C)=C(C)C1	843805876	RMKDVLUPSZMUCS-GFCCVEGCSA-N	309.410	1.575	50	20	DDGD	
C[C@]1(CNC(=O)N2CCOC[C@H]2C2CC2)C[C@@H]1Br	856952765	GTQNIXXAKKCNNA-GMXVVIOVSA-N	317.227	1.980	50	20	DDGD	
Cc1cccc(NC(=O)NCC(=O)NNc2cccnn2)c1	753077766	IFXVWLJACNTNJW-UHFFFAOYSA-N	300.322	1.050	50	20	DDGD	
C[C@H](NC(=O)NNc1c(F)cc(F)cc1F)c1ncn(C)n1	922107209	SIFJDBFRPUNHBD-LURJTMIESA-N	314.271	1.620	50	20	DDGD	
O=C(NC[C@H]1CCC(F)(F)C1)NNC(=O)c1cccc(F)n1	852301652	VOSYIQYDKQBHKW-QMMMGPOBSA-N	316.283	1.600	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1scnc1C1CC1	757800242	NUQZWBBNEPZOSD-UHFFFAOYSA-N	303.347	1.882	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2cccc(C(N)=O)c2)n1	755614081	WPVBXJLVYBPMSI-UHFFFAOYSA-N	302.359	1.243	50	20	DDGD	
C[C@]1(CNC(=O)N[C@H]2CCCC[C@@H]2O)C[C@H]1Br	856951952	HTKZYAJZDPKPBT-UXCLJVHYSA-N	305.216	1.763	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H]1CCC[C@@H](C)C1	854281157	AYKKYMXGKRIVHX-VXGBXAGGSA-N	301.456	1.687	50	20	DDGD	
C=C[C@@H](CC)CC(=O)NNC(=O)Cn1cnc2ccccc21	929257770	VZAKBIMKCZZUMG-LBPRGKRZSA-N	300.362	1.786	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)N[C@H]1C[C@@H]2CCCCN2C1=O	922816831	KFGSRMRGCKVJNK-GWCFXTLKSA-N	324.331	1.744	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cccc2nccnc12	855089092	BSLDKETVPLUPAQ-UHFFFAOYSA-N	315.402	1.539	50	20	DDGD	
O=C(NC[C@@H]1CCCN1CC(F)(F)F)NNc1ncccn1	926512321	FIIVNUXNGNYZSR-VIFPVBQESA-N	318.303	1.129	50	20	DDGD	
Cc1ncccc1C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855831185	IRTZONTXYCQQRK-UHFFFAOYSA-N	320.393	1.094	50	20	DDGD	
CN1C[C@H](c2ccccc2)[C@@H](C(=O)NNC(=O)C2CCCC2)C1	858428954	FOBDUBBPRLKLOO-CVEARBPZSA-N	315.417	1.669	50	20	DDGD	
COc1ccc(NCC(=O)NN=C2CN(C3CC3)C[C@H]2C)cc1	755881313	XGXVDMHBXVJFFP-GFCCVEGCSA-N	316.405	1.693	50	20	DDGD	
Cn1c(CC(=O)NN=C2CCCn3nccc32)nc2ccccc21	853270560	BCUPTCBTRQYUJZ-UHFFFAOYSA-N	322.372	1.627	50	20	DDGD	
COC(=O)CSCCC(=O)NNc1ccc(Cl)cn1	856093200	DPPYUBYXNRKQBP-UHFFFAOYSA-N	303.771	1.474	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNc1cnnc2ccccc12	755802008	CJGRXXOYWZRHAK-UHFFFAOYSA-N	315.377	1.722	50	20	DDGD	
O=C(NC[C@@H]1COCO1)NNc1ccccc1C(F)(F)F	923861536	ZWRJUWXEYKJWKV-MRVPVSSYSA-N	305.256	1.704	50	20	DDGD	
COc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	855006478	OOMQEHZLEAUDAX-QPKOPYBWSA-N	318.373	1.371	50	20	DDGD	
O=C(CNCC(F)(F)F)NNc1ccc([N+](=O)[O-])cc1F	855620886	HHEFKVCPRAEWJI-UHFFFAOYSA-N	310.207	1.329	50	20	DDGD	
NC(=O)c1ccc(C(=O)OC[C@H](CBr)C2CC2)o1	859603000	KUPFWXALQOXFIX-QMMMGPOBSA-N	316.151	1.956	50	20	DDGD	
CNC[C@@H]1CCCN(C(=O)NC[C@@]2(C)C[C@H]2Br)C1	857105207	GKDTXHWANNDJBC-DMDPSCGWSA-N	318.259	1.801	50	20	DDGD	
CC(C)[C@@H]1C[C@H](C(=O)NNC(=O)Cc2ccccc2F)CCO1	932375972	CCNLWUUKFWDUAA-HIFRSBDPSA-N	322.380	1.967	50	20	DDGD	
C[C@H](C(=O)NNc1ncnc2ccsc12)[C@H]1CCC(=O)N1	860197314	UCMGYJXJGRFDMX-JGVFFNPUSA-N	305.363	1.049	50	20	DDGD	
Cc1ccc([C@@H]2CCCC2=NNC(=O)CS(C)(=O)=O)cc1	863189679	RTLGBXRRYWXCGM-ZDUSSCGKSA-N	308.403	1.779	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](O)[C@H](C)c2ccccc2F)o1	866435652	CSFRLHJFEWYNQW-QMTHXVAHSA-N	320.320	1.653	50	20	DDGD	
CC[C@H](CS(=O)(=O)NNC(=O)c1cc(C)cs1)OC	863413604	KHGXNDONRZCUDC-SECBINFHSA-N	306.409	1.046	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1	867512327	HHMGXEFBDQGXMS-MNOVXSKESA-N	322.858	1.182	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)CN(C)[C@H]2CCSC2)o1	764048818	GKVVFJZOEVFTEZ-JTQLQIEISA-N	323.422	1.550	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H](C)Cn2ccc(C)n2)cc1	864490969	NCKJHIFDLJSXRB-LBPRGKRZSA-N	314.389	1.851	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)c2ccc[nH]2)cc1C	767815162	SHCSELJFMRMNEW-UHFFFAOYSA-N	303.318	1.172	50	20	DDGD	
CCCc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)s1	865070914	MRMLSJMSGZFDBR-UHFFFAOYSA-N	309.391	1.084	50	20	DDGD	
CCCn1cc(C(=O)NNC(=S)Nc2cccc(C)c2)nn1	766553904	HBLQEYYBBYNLBS-UHFFFAOYSA-N	318.406	1.628	50	20	DDGD	
C[C@H](c1ccccc1F)[C@@H](O)C(=O)NNC(=O)NCC1CC1	865016054	UPHVVWQYDYDSMC-NOZJJQNGSA-N	309.341	1.031	50	20	DDGD	
COc1ccc(OC)c(CC(=O)NN=c2cc[nH]c(C)c2)c1	862509887	XGFVVSHECBMYMD-UHFFFAOYSA-N	301.346	1.515	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N[C@H]1CCOC2(CCC2)C1	768527288	WITAUTXSAWPCGR-ZDUSSCGKSA-N	318.377	1.056	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@@H]2CC23CCC3)c1	760122080	XEWYRJLYXYRHHQ-ZDUSSCGKSA-N	303.362	1.445	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2cccc(C(F)(F)F)n2)co1	760299943	UFPVDAMNZSSYEM-UHFFFAOYSA-N	314.223	1.549	50	20	DDGD	
NC(=O)C(=O)NN=C1CCC[C@@H]1c1ccc(C(F)(F)F)cc1	776758452	PKKFEEHRDSVPGT-SNVBAGLBSA-N	313.279	1.930	50	20	DDGD	
CS[C@@H](C)CCC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	772240911	XQYKUGJHKNFNDP-WDEREUQCSA-N	318.439	1.643	50	20	DDGD	
Cn1nnc2cc(C=NNC(=O)c3n[nH]c4c3CCCC4)ccc21	1116108224	BSSJDAQFAFKSNC-UHFFFAOYSA-N	323.360	1.334	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccn1	773691360	FJHMZEBWLUDXEZ-JTQLQIEISA-N	314.301	1.555	50	20	DDGD	
CC1=NO[C@H](CNC(=O)NNC(=O)c2ccc(Cl)cc2)C1	875980010	KOKSWIIWDGRKBW-NSHDSACASA-N	310.741	1.449	50	20	DDGD	
O=C(Cn1nc(-c2ccccc2)oc1=O)NNc1ccccn1	777467935	LLNQWTKEPZPOPS-UHFFFAOYSA-N	311.301	1.042	50	20	DDGD	
CCc1ccccc1CNC(=O)NNC(=O)C1CCNCC1	1118029376	VUGVSYRPGQYTMJ-UHFFFAOYSA-N	304.394	1.079	50	20	DDGD	
COCCN(C)NC(=O)Nc1nnc(/C=C/c2ccco2)s1	879063241	LENKQMYZSMGBBD-AATRIKPKSA-N	323.378	1.916	50	20	DDGD	
CCOC(=O)N1CC[C@H](NC(=O)NNc2cccc(C#N)c2)C1	771379000	HRFBWGDACSUGRD-ZDUSSCGKSA-N	317.349	1.415	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1C(=O)NNc1nncc(N)c1Cl	1116298266	MAQGOICSUUADRU-UHFFFAOYSA-N	323.788	1.500	50	20	DDGD	
CCn1ncc(C(=O)NNc2nccnc2Cl)c1C1CC1	878858285	ZFHLHESPCYRKRA-UHFFFAOYSA-N	306.757	1.981	50	20	DDGD	
CCCOc1ccc(Br)cc1C=NNC(=O)CO	776779226	BBWIWQULJPUWFC-UHFFFAOYSA-N	315.167	1.680	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1ccc(O)c(F)c1	777904675	QPYBBHLJENSOJV-UHFFFAOYSA-N	311.313	1.506	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C	887140725	PTFBPLIJIAOYNF-LBPRGKRZSA-N	323.393	1.337	50	20	DDGD	
C[C@H](O)c1ncc(C=NNC(=O)c2ccc3c(c2)OCO3)s1	772999596	RZKZCZOHKDZVIW-QMMMGPOBSA-N	319.342	1.689	50	20	DDGD	
COC(=O)[C@H](CC(C)C)NS(=O)(=O)CC(C)(C)CCl	882644836	CZUXPTDWLCHEDB-JTQLQIEISA-N	313.847	1.759	50	20	DDGD	
CN(CCNC(=O)NNc1ccc(C#N)cn1)CC(F)(F)F	888264668	XGFCXINFLJAXOP-UHFFFAOYSA-N	316.287	1.073	50	20	DDGD	
O=S(=O)(CCCCl)N1CC[C@](CO)(c2ccccc2)C1	882213429	ZLTWAMAZJGKMDM-AWEZNQCLSA-N	317.838	1.581	50	20	DDGD	
N#Cc1ccc(NNC(=O)NC[C@H]2CC2(Cl)Cl)nc1	887624072	FMHBSLVUQAMJQH-MRVPVSSYSA-N	300.149	1.773	50	20	DDGD	
CN1CCCC(C)(C)[C@@H]1CNC(=O)NNc1ccc(C#N)cn1	888919545	ARCZXSSZRYTCNX-ZDUSSCGKSA-N	316.409	1.700	50	20	DDGD	
CC(C)C(=O)NCCNC(=O)[C@H](Br)C(C)(C)C	781083446	FSSZTNCXZIKLNF-VIFPVBQESA-N	307.232	1.684	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)[C@@H]1CCCOC1	780041906	ACUGAAUJNGJFGL-WCQYABFASA-N	323.368	1.514	50	20	DDGD	
COCCNC(=O)c1cn(/C(Cl)=C/CBr)nn1	881310931	TVGSWAPUQHUYAA-KRXBUXKQSA-N	323.578	1.086	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNc1ccccc1C(=O)OC	780738368	UJXLXYCSJNYQGC-UHFFFAOYSA-N	322.361	1.896	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)O[C@@H](C(N)=O)C(C)C)c1	782447577	MHKQXVMWWBJWCV-WEKMIXOTSA-N	302.330	1.655	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@@H](C(=O)NN=c2cc[nH]c3ccccc23)C1	787999763	OMABYCXJHPMQTG-VXGBXAGGSA-N	312.373	1.392	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@]2(C)CCCOC2)cc1OC	781102659	IUEDRORJTOQMIT-MRXNPFEDSA-N	322.361	1.282	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](C)Oc2ccc(C#N)cc2)nc1	781527257	DEYFJGZMPNIAEB-NSHDSACASA-N	312.329	1.872	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCc2ncsc2C1	782633428	HPPUSWMEZTVTFP-JTQLQIEISA-N	310.423	1.083	50	20	DDGD	
CCn1c(NNC(=O)[C@H](F)C(C)C)nc2ccccc2c1=O	784338062	SPVYUDHRJLMYKO-GFCCVEGCSA-N	306.341	1.854	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNc1cccnn1)c1ccnn1C	788109922	DWXMXBFOZJDMRW-LLVKDONJSA-N	303.370	1.276	50	20	DDGD	
COC1(CNC(=O)/C(C#N)=C/c2ccc(O)cc2)CCOCC1	787459090	SQLHOBHQXMBAFR-GXDHUFHOSA-N	316.357	1.611	50	20	DDGD	
C[C@H]1CN(C[C@H](CBr)C2CC2)C[C@@H](C)S1(=O)=O	701860760	HSRKNJOXSZVCLJ-UMNHJUIQSA-N	324.284	1.915	50	20	DDGD	
O=C(NNS(=O)(=O)c1cccc(C(F)F)c1)c1ccc[nH]1	780370834	SOXLIXVNTBXLPJ-UHFFFAOYSA-N	315.301	1.576	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@@H]1CN1CCC(C(N)=O)(N2CCCCC2)CC1	896003597	ZMGKLVZPPDDDJB-MJBXVCDLSA-N	313.873	1.666	50	20	DDGD	
COc1ccc(NNC(=O)Nc2ccc(C3CC3)nn2)nc1	782054909	JLWZUDFUAYMXIU-UHFFFAOYSA-N	300.322	1.906	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCc2nc(C)cs2)n1	792798443	JAGKOYUQPZTEDW-UHFFFAOYSA-N	319.390	1.342	50	20	DDGD	
CSSCCNC(=O)NCCNc1ncccc1C#N	790878919	LDDXXPPYMUYFMR-UHFFFAOYSA-N	311.436	1.676	50	20	DDGD	
CC(=NNC(=O)CNc1ccc(C)cc1C)c1ccc(O)nn1	790151928	VQRGBSJUMGEFLB-UHFFFAOYSA-N	313.361	1.751	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C/c1ccccc1OCC(=O)OC	899368230	FZOYTOSANTUDLT-UKTHLTGXSA-N	323.370	1.928	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1)c1cc(C)on1	790287325	LMCDYPLMAXRMHY-WXHSDQCUSA-N	322.409	1.569	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1cc(Cl)ccn1	794353365	KCERPRSNZUJOSH-UHFFFAOYSA-N	305.725	1.525	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)NCCc1cccs1	793207057	MGEXNEQYXCDGBT-ZYHUDNBSSA-N	313.423	1.682	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cc(F)ccc1[N+](=O)[O-]	798315483	VRVGGGIIPYHJAN-UHFFFAOYSA-N	324.190	1.240	50	20	DDGD	
CC(C)OC(=O)CC[C@@H](C)NC(=O)NNC(=O)c1ccc[nH]1	792304271	WKCGLPKKVROHRR-SNVBAGLBSA-N	310.354	1.079	50	20	DDGD	
C[S@](=O)c1ccc(CC(=O)NNC(=O)CC(C)(C)C)cc1	798108902	JUJRTSXYBQIZFX-NRFANRHFSA-N	310.419	1.550	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CCCCN1Cc1ccncc1	1318360238	VQNPRBMAAPUQKP-AWEZNQCLSA-N	304.394	1.240	50	20	DDGD	
Cn1ncc(Cl)c1C=NNC(=O)c1n[nH]c2c1CCCC2	1320514149	SJTUOAPSBCGZGD-UHFFFAOYSA-N	306.757	1.439	50	20	DDGD	
Cn1ccc(NNC(=O)CSc2ccc3c(c2)OCCO3)n1	1325439961	YABUJUYBVHQJKT-UHFFFAOYSA-N	320.374	1.427	50	20	DDGD	
CC[C@@H]1CCC[C@H]1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1326416076	AMHBYEHKNNKTFX-GHMZBOCLSA-N	304.394	1.876	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2cncn2-c2ccccc2)CC1	1323549807	NLZREXKYEZLPCM-UHFFFAOYSA-N	314.345	1.060	50	20	DDGD	
CC(C)(NC(=O)c1cc(B(O)O)ccc1F)C1CCCCC1	1331796876	PYIKMBGSKTXGJB-UHFFFAOYSA-N	307.174	1.594	50	20	DDGD	
CCCCN(C)C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1331099537	OIWRUWQYVQJQGA-CABZTGNLSA-N	305.216	1.535	50	20	DDGD	
CC1(C)CNC[C@@H]1NC(=O)NNc1ncnc2ccsc12	1337037349	PNEPGXVTXUDBDF-VIFPVBQESA-N	306.395	1.315	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NCCn2cccc2)nn1	1340125956	WWYDEKZHXCPGIJ-UHFFFAOYSA-N	302.382	1.902	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)Nc1cncc(C(=O)O)c1	1600760154	IHESKHFMDWUEBE-UHFFFAOYSA-N	321.318	1.011	50	20	DDGD	
CCN(CC)CCNC(=O)NNc1ccc(C(=O)O)c(F)c1	1609999732	JEPFZLRKKMPSIK-UHFFFAOYSA-N	312.345	1.492	50	20	DDGD	
Cc1c(Cl)cccc1NNC(=O)c1cc(C(=O)O)nn1C	1600017111	OAHMRVFKQFZNMC-UHFFFAOYSA-N	308.725	1.837	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCOC[C@@H]1CC(=O)O	1601044944	FJUWMLNNMFKSML-WHGQRRHOSA-N	316.313	1.001	50	20	DDGD	
Cn1ccnc1CCC(=O)NNc1cccc(F)c1C(=O)O	1608133847	YFRZCFFRACSTCY-UHFFFAOYSA-N	306.297	1.333	50	20	DDGD	
O=C(O)COc1ccc(C(=O)NNC(=O)NC2CCCC2)cc1	1602081339	XVLZRJZAUCCBGF-UHFFFAOYSA-N	321.333	1.037	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1Cc2ccc(F)cc21	1606856107	RJZAJHSNALMTJR-AWEZNQCLSA-N	324.319	1.789	50	20	DDGD	
O=C(O)[C@@]1(C(=O)NN=c2cc[nH]cc2Cl)C[C@H]2CC[C@H]1C2	1605935408	IEQZAHJZIJBXQP-FZNYLWTLSA-N	309.753	1.491	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@H]1CC12CCOCC2	1602230994	RFQLMSKCRUQLIH-SECBINFHSA-N	308.309	1.784	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1ncoc1[C@@H]1CCCO1	1606529157	ZWUGUIZPPLCSHA-VIFPVBQESA-N	318.289	1.376	50	20	DDGD	
O=C(C[C@@H]1CCCC[C@H]1O)NNc1ccc(F)c(C(=O)O)c1	1601352289	OHVBBTQLLFXBAE-TVQRCGJNSA-N	310.325	1.908	50	20	DDGD	
C[C@](CCF)(NS(=O)(=O)c1ccc(CCl)cc1)C(=O)O	1604142862	UULJPJBPVMYZOJ-GFCCVEGCSA-N	323.773	1.907	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O	1608169696	IYLZQFUFVZNRRO-ORBBEKIVSA-N	300.289	1.522	50	20	DDGD	
O=C(NNC(=O)C12CC(C(=O)O)(C1)C2)c1ccccc1Cl	1601553765	UJFWDEWHNMDCBT-UHFFFAOYSA-N	308.721	1.356	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1ccc(C(=O)O)s1	1608317910	MFZNBCSHJFYSBN-UHFFFAOYSA-N	318.354	1.840	50	20	DDGD	
CC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@@H]1F	1801497656	SHAWMSFOXDMUPR-JOGIVDDZSA-N	316.804	2.000	50	20	DDGD	
Cn1c(C=NNC(=O)Cc2ccc(F)cc2)ccc1C(=O)O	1610597730	LTBZVEXZZARZLW-UHFFFAOYSA-N	303.293	1.555	50	20	DDGD	
Cc1ccoc1C=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccnn1C	1549319138	INFBDRWKULESAY-DOMZBBRYSA-N	316.361	1.940	50	20	DDGD	
NC[C@@H]1CC[C@H](NC(=O)NNc2cccc(C(=O)O)c2F)C1	1610645407	XTFFMTYXFWMWBN-BDAKNGLRSA-N	310.329	1.277	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1	1549316380	RQAVZRKPMWJUBG-HOCLYGCPSA-N	301.390	1.780	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)c(Cl)c1	1549313049	GMGABAKKOAFROV-DZGCQCFKSA-N	321.808	1.962	50	20	DDGD	
Cc1c(NNC(=O)NCC[C@@H]2CNC[C@H]2C)cccc1[N+](=O)[O-]	1579541171	JISXURIRYDRTTH-ZYHUDNBSSA-N	321.381	1.775	50	20	DDGD	
C[C@@H](NNC(=O)[C@H]1NCCc2cc(C#N)ccc21)C(F)(F)F	1576249702	BWEDIBPKAHRAIZ-PELKAZGASA-N	312.295	1.317	50	20	DDGD	
Cc1cc(NNC(=O)Cc2cccc(N)c2Cl)nc(N)n1	1579635321	DNBXWPMPFTXBDS-UHFFFAOYSA-N	306.757	1.289	50	20	DDGD	
C=C(C)C[C@@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)C(=O)O	1588537653	VBTFWJYACMQEFF-CEFACKQISA-N	300.314	1.835	50	20	DDGD	
O=C(C(Cl)Cl)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843366746	NKLCEHSTLQBGLU-SSDOTTSWSA-N	317.575	1.528	50	20	DDGD	
CC(C)(C)OCC(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843362187	GVQQDJGYJWYFLK-NSHDSACASA-N	320.792	1.539	50	20	DDGD	
CC1(C)CO[C@H](CC(=O)NNc2cccc(-c3nn[nH]n3)c2)C1	1590113784	ZBASNKWLARFAOC-GFCCVEGCSA-N	316.365	1.515	50	20	DDGD	
CC[C@@H](C)CC=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	1590403935	HAETZWOQUZTWBY-LLVKDONJSA-N	316.365	1.784	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)C1(c2ccccn2)CC1	1593165988	PVOBSNQVMOVTAJ-UHFFFAOYSA-N	321.344	1.437	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=C[C@H]2C[C@]23CCCOC3)c1	1776096887	WHKJTRVPEGWXSM-CJNGLKHVSA-N	302.330	1.917	50	20	DDGD	
Cc1nc(F)ccc1C=NNC(=O)c1ccc(C(=O)O)cc1	1776100413	GIFMBOCLDTYCMM-UHFFFAOYSA-N	301.277	1.991	50	20	DDGD	
CNC(=O)NNC(=O)CCCc1ccccc1Br	162728791	KBARRXPGTKDEKR-UHFFFAOYSA-N	314.183	1.732	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCCc1sccc1C	163046744	NLLZZMDNUOVRMN-UHFFFAOYSA-N	313.423	1.746	50	20	DDGD	
CN(CC(=O)NNc1ccc(F)cc1F)[C@H]1CCSC1	152666086	GFERGUMQZMATCK-JTQLQIEISA-N	301.362	1.845	50	20	DDGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CC(O)C2)c1C	156155509	PRVMJCYRPXHMJA-FVTUNSQFSA-N	317.389	1.422	50	20	DDGD	
Cc1nc(-c2cccc(NC(=O)NNC(=O)CCO)c2)oc1C	155873831	RSMOJCBQWLMJLY-UHFFFAOYSA-N	318.333	1.494	50	20	DDGD	
C[C@](O)(CNS(=O)(=O)CCCCCl)c1ccc(F)cc1	154865743	SJFPDPKJBGTNGI-ZDUSSCGKSA-N	323.817	1.972	50	20	DDGD	
O=S(=O)(NC[C@@H]1CC[C@H](O)C1)c1ccc(CCl)cc1	311527718	GHQOEYXEUBOYAL-NEPJUHHUSA-N	303.811	1.865	50	20	DDGD	
C[C@@]1(C(=O)NN2C(=O)c3ccccc3C2=O)C[C@H]1Br	907382207	FCINGVMPUPIOGB-NOZJJQNGSA-N	323.146	1.487	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)CN2CCCC2=O)cc1	8192452	CBISZJCFSUVQCX-UHFFFAOYSA-N	317.389	1.368	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc2ccccc2[nH]1	8196018	JHKUOMUOGJPEEF-UHFFFAOYSA-N	320.418	1.656	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)CCOc1ccc(F)cc1	109827202	GLVMMAHPJDVLHF-NSHDSACASA-N	311.357	1.082	50	20	DDGD	
COc1ccc(CNC(=O)NNc2ccc(C)nn2)cc1F	106258959	MIJJGECCPWDQMW-UHFFFAOYSA-N	305.313	1.759	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NC[C@@H](c1ccc(F)cc1)N(C)C	55010370	PUPRTSKAQJAMMF-WVUXNXBLSA-N	305.353	1.989	50	20	DDGD	
CCc1nc(CCNC(=O)NNC(=O)c2ccc[nH]2)cs1	102575283	XOMZKLIKWLXUBE-UHFFFAOYSA-N	307.379	1.220	50	20	DDGD	
Cc1cc(F)ccc1-n1cc(C(=O)NNc2cccnn2)nn1	179401579	LJQKWSSKLMPUGD-UHFFFAOYSA-N	313.296	1.262	50	20	DDGD	
Cc1cccc(C)c1OCC(=O)NNC(=O)NCC(F)(F)F	54924868	QIMAKPOAVJQYBT-UHFFFAOYSA-N	319.283	1.575	50	20	DDGD	
O=C(Cc1ccc(F)c(Br)c1)NNC(=O)C1CC1	54060598	DWCIDRXSMRXLNJ-UHFFFAOYSA-N	315.142	1.688	50	20	DDGD	
N#Cc1c[nH]c(C(=O)NNC(=O)c2ccc3ccccc3n2)c1	175143698	VIDZTLDCAKQOQW-UHFFFAOYSA-N	305.297	1.509	50	20	DDGD	
COc1ccc([C@H]2CCN(CC(=O)NNC(=O)C3CC3)C2)cc1	112979188	YOULAJUUCIWXIG-AWEZNQCLSA-N	317.389	1.042	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Cc1cn(C)c2ccccc12	65858205	WOWDKNLUSJOLHK-UHFFFAOYSA-N	310.357	1.521	50	20	DDGD	
Cc1ccn2cc(C(=O)NNC(=O)c3ccc(C#N)cc3)nc2c1	61465495	LCILOPSXQMZVQH-UHFFFAOYSA-N	319.324	1.589	50	20	DDGD	
O=C(COC1CCCCC1)NNC(=O)Cc1ccccc1F	66785454	BEGOKTSGRKUPOK-UHFFFAOYSA-N	308.353	1.865	50	20	DDGD	
CC(C)Oc1ccc(CNC(=O)NNC(=O)c2ccc[nH]2)cn1	119463138	XSAFWDAHTMLCCP-UHFFFAOYSA-N	317.349	1.341	50	20	DDGD	
Cc1cccc(OC[C@H](C)NC(=O)NNC(=O)[C@@H]2CCCO2)c1	65486648	AFUQQTGMGLAUQV-JSGCOSHPSA-N	321.377	1.272	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2snnc2C)c(C)c1	171760881	ZNJMFLVMFYQZDG-UHFFFAOYSA-N	319.390	1.336	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccccc2O)c1	60622568	IFKWCUYTJXUSFZ-LBPRGKRZSA-N	314.341	1.929	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)Cc1ccoc1	119199717	JOOHNLOJVDSGBM-SNVBAGLBSA-N	306.293	1.576	50	20	DDGD	
CC(C)Cc1nc(C(=O)NNC(=O)Cc2ccncc2)cs1	175780271	OPRSTWGBFRLKDX-UHFFFAOYSA-N	318.402	1.740	50	20	DDGD	
COc1ccc(Cl)cc1CC(=O)NNC(=O)c1cccnc1	27635384	CTZFCILNKOAKIF-UHFFFAOYSA-N	319.748	1.747	50	20	DDGD	
COc1nccnc1NNC(=O)CCCOCc1ccccc1	131926625	VXPVQWPPMWMDKE-UHFFFAOYSA-N	316.361	1.925	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC(NC(C)C)CC1	111219040	IDEXIXULIZLUPL-ZDUSSCGKSA-N	312.458	1.031	50	20	DDGD	
C=C[C@H](CC(=O)NNC(=O)N1CCOCC1)c1ccccc1	179199870	STPSSMMCUFHVHJ-CYBMUJFWSA-N	303.362	1.419	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)N1CCCC2(CC2)C1	185739273	XHIGYUUQJYWPDB-UHFFFAOYSA-N	317.389	1.820	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CC[C@H]2CC[C@@H](C)O2)c(O)c1	175551490	VEYYUUXSTPKWFF-VXGBXAGGSA-N	306.362	1.809	50	20	DDGD	
O=C(NNc1ccncc1)c1ccc(=O)n(-c2ccccc2)n1	180479928	UXPQTDJZXGFQJQ-UHFFFAOYSA-N	307.313	1.384	50	20	DDGD	
NC(=O)COc1cccc(C(=O)NNc2ccc(Cl)cc2)c1	120159931	AQMLLHHJKORBPM-UHFFFAOYSA-N	319.748	1.961	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Cc2ccc3c(c2)NC(=O)C3)n1	181996168	AELHDGMQBHOJQV-UHFFFAOYSA-N	311.345	1.274	50	20	DDGD	
CS[C@@H](C)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	32486658	OQVRBCHMCNTWPM-IUCAKERBSA-N	300.355	1.492	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ccc(OC(F)F)cc2)cn1	122259343	NNJJYECDMSRMKS-UHFFFAOYSA-N	322.271	1.539	50	20	DDGD	
Cc1c(Cl)cccc1OCC(=O)NNC(=O)c1cnn(C)c1	121590807	ZMGQNAUYJQZQOE-UHFFFAOYSA-N	322.752	1.222	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)c1coc(C)c1	189155822	GFRXNOMAJMQZNW-UHFFFAOYSA-N	324.358	1.757	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)OC[C@H]2CCCO2)c(O)c1	70822946	XSDHSTXAJRXUKW-VXGBXAGGSA-N	322.361	1.046	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNC(=O)Cc2ccncc2)no1	81028643	SGXUWJMZILREME-UHFFFAOYSA-N	302.334	1.371	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccccc2S(C)(=O)=O)o1	84374107	MAMJAFQXGGTCBH-UHFFFAOYSA-N	322.342	1.066	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1nn[nH]c1-c1ccccc1	194158662	QSDCERQYVSXCEY-UHFFFAOYSA-N	303.322	1.641	50	20	DDGD	
CCc1nc(CC(=O)NNc2nc3ccccn3n2)cs1	191897843	SVJFSRISBKOWEO-UHFFFAOYSA-N	302.363	1.434	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2cccc3[nH]cnc23)n1	134112226	WUAWUWLQKARTHT-UHFFFAOYSA-N	303.713	1.345	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](c1nc(C)cs1)C1CC1	80438780	HEPZHIRUYNEGLM-NSHDSACASA-N	312.395	1.270	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCC(=O)c1ccc2c(c1)CCC2	190051607	RLIQQLYMVBMTMB-UHFFFAOYSA-N	318.373	1.057	50	20	DDGD	
CC(C)COC[C@@H](O)CNC(=O)/C(C#N)=C\c1ccc(O)cc1	194752995	KLPICQJLWIVQMU-VFXTVZEFSA-N	318.373	1.449	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1nccn1CC(F)(F)F	195320200	ZEQKRIDSAFVDMH-VMPITWQZSA-N	308.285	1.201	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](C)OC[C@@H]2CCCCO2)n1	266929992	NLVGPUFBCWFLBL-NEPJUHHUSA-N	324.381	1.211	50	20	DDGD	
C[C@H]1C(=O)Nc2cc(C(=O)NNC(=O)C(C)(C)C)ccc2N1C	267405655	YODLVVKTZOZDGC-VIFPVBQESA-N	318.377	1.271	50	20	DDGD	
Cc1c(NNC(=O)NC[C@H]2CCCN2C)cccc1[N+](=O)[O-]	263959805	HPUYRQXPVJBTJG-LLVKDONJSA-N	307.354	1.624	50	20	DDGD	
CC(C)C[C@@H](C)NC(=O)NNc1nc(O)c2cnn(C)c2n1	269904257	NLOCSRFQTYPFCA-MRVPVSSYSA-N	307.358	1.130	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)c2ccccc2F)c1C	263733061	ABRBACXESKKSPV-UHFFFAOYSA-N	304.325	1.734	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2CCCO[C@@H]2CC(C)C)n1	275047132	UQRAMYBLXLDXFX-VXGBXAGGSA-N	323.397	1.705	50	20	DDGD	
N#CC1=CCN(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1	272705350	WXLYPUYBWJRQER-UHFFFAOYSA-N	324.384	1.673	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@H]1CCc2c[nH]nc2C1	368618773	LUMZZRJBYWECAM-NSHDSACASA-N	323.356	1.499	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCO1	271377032	QYTSVDOZAOCBDY-GXSJLCMTSA-N	322.321	1.106	50	20	DDGD	
CC[C@H](CO)NC(=O)NNC(=O)c1cccc2ccccc12	271991993	RZQZCDYJARKEOE-GFCCVEGCSA-N	301.346	1.555	50	20	DDGD	
C[C@H]1CC(=O)NCCN1C(=O)[C@H](Br)C(C)(C)C	372108795	OKCNNRPPXHDKAT-WPRPVWTQSA-N	305.216	1.533	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@H]1CCO[C@@H]1c1cccnc1	287000511	QDZUCKBBHQSGJU-QWHCGFSZSA-N	304.350	1.042	50	20	DDGD	
COC[C@@H](NC(=O)NNc1ccc2c(O)nccc2c1)C1CC1	287807525	OUDVRDPOJYFUMB-CQSZACIVSA-N	316.361	1.992	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNC(=O)COc1ccc(C#N)cc1	285026557	OSZMTKXJBFKXKX-HNNXBMFYSA-N	300.318	1.024	50	20	DDGD	
CC[C@H](NC(=O)c1c(C)nn(CCCl)c1C)C(OC)OC	288271385	ZFEWOWBCSOQZOL-NSHDSACASA-N	317.817	1.866	50	20	DDGD	
Cc1ccc2c(C(=O)NNC(=O)C(=O)NC(C)C)csc2c1	280747890	GWWFMWCULZVJNZ-UHFFFAOYSA-N	319.386	1.495	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2nc(C)oc2C)c1	292253686	DUVOCSMLBFTOLC-UHFFFAOYSA-N	317.345	1.748	50	20	DDGD	
O=C(NNc1ncccc1F)N[C@H]1CCN(CC(F)(F)F)C1	805183134	AHCIUFDBFLEWJC-QMMMGPOBSA-N	321.278	1.483	50	20	DDGD	
CC(C)(C)c1n[nH]cc1C(=O)NNC(=O)c1ccccc1F	292616455	HHLDWLJRDJBMOJ-UHFFFAOYSA-N	304.325	1.921	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1n[nH]c2c1CCCCC2	295604914	QDLJQPIJTGWJEN-GFCCVEGCSA-N	306.366	1.009	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H]2CCCC23OCCO3)n1	806932674	JRXDWINSDTWNDG-SECBINFHSA-N	312.757	1.425	50	20	DDGD	
Cc1ccc(F)cc1NC(=O)C(=O)NNc1cccc(F)n1	807391709	GSYMRKMSTMGNBE-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
O=C(Cc1csc(-c2nc[nH]n2)n1)NNc1cccc(F)n1	804769247	AOIOUPXIBWUYFC-UHFFFAOYSA-N	319.325	1.148	50	20	DDGD	
Cc1[nH]ncc1CCCNC(=O)NNc1ncc(F)cc1F	297380902	JQBGQZGULPRMCZ-UHFFFAOYSA-N	310.308	1.650	50	20	DDGD	
CCC[C@@H](C(=O)NNc1nnc(C)c(O)n1)c1ccccn1	806364726	GMYFFKWHOQRSQC-SNVBAGLBSA-N	302.338	1.308	50	20	DDGD	
Cn1cc(Oc2ccccc2C(=O)NNc2cccnn2)cn1	801189697	DAKIJFBCEMBEHB-UHFFFAOYSA-N	310.317	1.759	50	20	DDGD	
O=C(NCCc1nc2ccccc2[nH]1)NNc1cccc(F)n1	804881530	SAUXXTHEZHPTEB-UHFFFAOYSA-N	314.324	1.966	50	20	DDGD	
CSSCCNC(=O)N1CCN(C[C@@H](C)O)C[C@@H]1C	807231629	OLDFRDLMABWSTI-WDEREUQCSA-N	307.485	1.094	50	20	DDGD	
CSc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H]2CCCO2)cc1	292116306	JOAKJKUKLMWFAT-GWCFXTLKSA-N	324.402	1.502	50	20	DDGD	
CCC(CC)N1C[C@H](C(=O)NNc2ncncc2F)CC1=O	293825137	AILXJCUYQCXQQI-SECBINFHSA-N	309.345	1.096	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)Nc1cncc(F)c1	806508435	KNTUDOARQRNHOI-UHFFFAOYSA-N	314.284	1.345	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccn1)NC1CCOCC1	296420996	SLJGBQIMHMEMFF-UHFFFAOYSA-N	304.272	1.906	50	20	DDGD	
COCCOCCC(=O)NNc1cc(Cl)nc(Cl)c1	819743122	KPKWZDWQYRVXND-UHFFFAOYSA-N	308.165	1.885	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)C(=O)Nc1ccc(F)nc1	815726322	YDAHLHLMLLOQMI-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
COC(=O)C(C)(C)CC=NNC(=O)Cc1ccccc1OC	814812782	MTPJPGOGDLWAOR-UHFFFAOYSA-N	306.362	1.929	50	20	DDGD	
CN1CCC(ONC(=O)[C@@H](Br)C(C)(C)C)CC1	819687793	ALMASRQRBNFVPK-SNVBAGLBSA-N	307.232	1.938	50	20	DDGD	
CN1CCN(C(=O)NN=C2CC[C@H]3CNc4cccc2c43)CC1	814913498	OBRRVVXPRKXGRX-LBPRGKRZSA-N	313.405	1.651	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CCc1ccc(C)s1	811255705	XOAHVQVTZJFKQF-JTQLQIEISA-N	312.391	1.478	50	20	DDGD	
CO[C@@H]1CCC[C@@H](C(=O)NNC(=O)COc2ccc(F)cc2)C1	814365170	AQCYWAFVDPYSSD-BXUZGUMPSA-N	324.352	1.557	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)c2cnccn2)ccnc1Cl	810283961	ODLCXIDYWDHQSZ-UHFFFAOYSA-N	306.713	1.300	50	20	DDGD	
COCCC(COC)=NNC(=O)COc1ccccc1OC	812223742	KNSQMLKAXDMJKT-UHFFFAOYSA-N	310.350	1.229	50	20	DDGD	
CCn1ccnc1C(=O)NNC(=O)Cc1c[nH]c2ccccc12	813365493	HZHRAOZNBQKYIC-UHFFFAOYSA-N	311.345	1.388	50	20	DDGD	
O=C(NN=Cc1cnn(CC(F)F)c1)c1ccc(O)c(O)c1	814229626	BPDTZRPIYNYSMW-UHFFFAOYSA-N	310.260	1.323	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(C#N)cc(N(C)C)c2)n1	814479639	ONUPAWFDPIBVFO-UHFFFAOYSA-N	312.333	1.180	50	20	DDGD	
CC(Cc1ccc(O)cc1)=NNC(=O)CNC(=O)c1ccco1	814827165	XLNNMSFRWFSQGQ-UHFFFAOYSA-N	315.329	1.450	50	20	DDGD	
CCC(CC)N1C[C@H](C(=O)NNC(=O)C2CCCC2)CC1=O	729315451	KXCQFXLSHSDWJZ-GFCCVEGCSA-N	309.410	1.361	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1c(F)cccc1F	826446248	FHHCVVQRTDVJID-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
CC1(C)CC(C(=O)NNC(=O)C(=O)N2CCCC2)CC(C)(C)C1	824876562	APGCYWQSWUXHNA-UHFFFAOYSA-N	323.437	1.609	50	20	DDGD	
CCCN(C)CC(=O)NNC(=S)NCCc1cccs1	820168519	BYOOEYBMGVKZCS-UHFFFAOYSA-N	314.480	1.128	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1)c1cc(-c2nn[nH]n2)c[nH]1	826447721	STMCRLAKODTUIP-UHFFFAOYSA-N	303.713	1.605	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1cc(C#N)cs1	494434388	KPRXKWOZDMNGPB-UHFFFAOYSA-N	308.363	1.595	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNC(=O)Nc1ccccc1C)C(C)C	822666429	ICZHISADIULQOZ-ZDUSSCGKSA-N	321.377	1.983	50	20	DDGD	
CCCNC(=O)NNC(=O)C1(C(=O)OC(C)(C)C)CC=CC1	823951567	STCMAHKMOAOPHN-UHFFFAOYSA-N	311.382	1.405	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCCN2Cc3ccccc3C2)cn1	822758215	UWJGDMJOLRFWKC-IUXPMGMMSA-N	321.384	1.459	50	20	DDGD	
COC(=O)NNC(=O)CN(CC1CC1)C(=O)OC(C)(C)C	495368117	XKXACJMEQIRECG-UHFFFAOYSA-N	301.343	1.021	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2(C(C)C)COC2)c1F	821939235	MYEHVTPUKCIIEF-UHFFFAOYSA-N	310.325	1.728	50	20	DDGD	
CNC(=O)/C(C#N)=C\c1c(C)nn(-c2ccccn2)c1Cl	490942160	NDAOYCWFTUIWKE-YFHOEESVSA-N	301.737	1.882	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1c(Cl)ccc(F)c1F	495803429	KEIXFSASGIANSA-UHFFFAOYSA-N	314.697	1.558	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=S)NC2CCOCC2)c1	727780445	KQFDJPCZWUSZPE-UHFFFAOYSA-N	322.434	1.041	50	20	DDGD	
COc1ccccc1C[C@H](NCc1ccc(B(O)O)o1)C(C)C	585025751	BRNUGGRHMXGYOD-HNNXBMFYSA-N	317.194	1.325	50	20	DDGD	
C[C@@H](O)CN(Cc1ccccc1)C(=O)/C(C#N)=C/c1cnn(C)c1	491128815	FODLRBXVIVEGNE-CNGOAVBNSA-N	324.384	1.737	50	20	DDGD	
CC(=O)CCC(C)(C)C(=O)NNc1cccc(-c2nn[nH]n2)c1	823968061	UPPYCBGJYCRNTG-UHFFFAOYSA-N	316.365	1.705	50	20	DDGD	
CN(NC(=O)c1cccc(OCC(N)=O)c1)C(=O)OC(C)(C)C	496542025	GXARAUBVEHFXTI-UHFFFAOYSA-N	323.349	1.062	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(Br)ncc1C	495480553	NBQCVTDYTJBITE-UHFFFAOYSA-N	317.143	1.935	50	20	DDGD	
CCCN(NC(=O)C[C@@H]1CCC(=O)NC1)C(=O)OC(C)(C)C	495924551	BZXSLXIENCRISC-NSHDSACASA-N	313.398	1.581	50	20	DDGD	
C#CCCCC(=O)NN=C(C)c1ccc(N2CCNC2=O)cc1	901325781	XXLZPKYESAJCNF-UHFFFAOYSA-N	312.373	1.860	50	20	DDGD	
CC(C)CCSCc1nc(-c2ccc(B(O)O)cc2)no1	585050628	FLZFYRQVBMCWTD-UHFFFAOYSA-N	306.196	1.696	50	20	DDGD	
CCCS(=O)(=O)Nc1ccc(NC(=O)NNC(=O)O)cc1	737039124	PJBUWAUMBSRVGY-UHFFFAOYSA-N	316.339	1.142	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1cccc(-c2nn[nH]n2)c1	826449745	ICJDSZCJJHLGHL-UHFFFAOYSA-N	320.316	1.500	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cc[nH]c1	826446038	WODPINIILGAVPT-UHFFFAOYSA-N	304.701	1.000	50	20	DDGD	
C[C@@H]1CN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C[C@@H](C)S1=O	490977492	UACLOOBMTAFDPR-LBKJDUGFSA-N	318.398	1.667	50	20	DDGD	
CCO/C=C\C(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1	492969934	CIUDKZVUHMUJLS-HJWRWDBZSA-N	322.361	1.794	50	20	DDGD	
C=CCN(Cc1cccs1)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	827315701	UROQCVDITFBXKT-WCQYABFASA-N	323.418	1.902	50	20	DDGD	
COC(=O)Nc1cccc(C(=O)NNc2cc(C)ncn2)c1	491439884	JGRKZPZOQBSOFM-UHFFFAOYSA-N	301.306	1.720	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(C)[C@H]2CCNC2=O)cc1	490782403	IXCGEDJAZZOYBO-WVUXNXBLSA-N	313.357	1.339	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)/C=C\[C@@H]2CCOC2)c(OC)c1	493254410	CIJYDOQYXWGYSQ-ZTYXWKCZSA-N	320.345	1.058	50	20	DDGD	
C[C@H](CCNC(=O)/C(C#N)=C/c1cnn(C)c1)N1CCCCC1	491100508	BECACLAUAAEXNZ-DWKHYPNZSA-N	315.421	1.708	50	20	DDGD	
CCOC(=O)N[C@H](C(=O)NNc1ccc(OC)cn1)C(C)C	495512658	UUMJLFNDIGQEAG-LBPRGKRZSA-N	310.354	1.304	50	20	DDGD	
COc1cc(C(=O)N2CC[C@@H](B(O)O)C2)ccc1C(F)(F)F	585064727	SRLDZTKGNRAWDY-SECBINFHSA-N	317.072	1.403	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1c[nH]c2ncccc12	737923058	JJKDEQVWFCGCJZ-UHFFFAOYSA-N	324.340	1.541	50	20	DDGD	
C[C@H](CCS(C)(=O)=O)NC(=O)[C@]1(C)C[C@H]1Br	907019339	AJYVEMBAEFAEPI-NQMVMOMDSA-N	312.229	1.099	50	20	DDGD	
CO[C@@H]1C[C@@H](N(C)CC(=O)NNC(=O)C(C)(C)C)C12CCC2	832209953	QOYSWSINQSXMES-VXGBXAGGSA-N	311.426	1.069	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)c1cccc(F)c1F	730779257	ZEMUNSNQSGUVQX-UHFFFAOYSA-N	322.267	1.510	50	20	DDGD	
CCC(=O)NN=C1C(=O)Nc2c(Br)cc(C)cc21	735610763	WLGUPTIWSHYRLU-UHFFFAOYSA-N	310.151	1.940	50	20	DDGD	
CC(C)CN1C[C@@H](C(=O)NNc2ccc(Cl)nn2)CC1=O	735689116	KSTXKBFRKWNHRU-VIFPVBQESA-N	311.773	1.078	50	20	DDGD	
CCn1ccnc1C(C)=NNC(=O)c1ccc2c(c1)OCO2	834918577	YKNVSSZIAHDQDS-UHFFFAOYSA-N	300.318	1.786	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)CC(=O)O)c2ccccc2n1	832864580	NZNBUQKRXBQGCO-VIFPVBQESA-N	315.329	1.415	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCCc2ccccc2CC1	831920385	HSIFLIQDYAPHRO-UHFFFAOYSA-N	303.406	1.281	50	20	DDGD	
CN(C)C(=O)Nc1cccc(C(=O)NNC(=O)C2CCCC2)c1	739694800	RDDFVQWTIXEOCR-UHFFFAOYSA-N	318.377	1.731	50	20	DDGD	
COC[C@@H](OC)C(=O)NNc1ccc(Br)cc1C	830813334	HJCRWWKKWCMEAE-LLVKDONJSA-N	317.183	1.862	50	20	DDGD	
OCC[C@H](NCc1cccc(B(O)O)c1)c1ccc(Cl)cc1	585040523	MGMZYYNWSJAGTO-INIZCTEOSA-N	319.597	1.233	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1ccc(F)c(O)c1	901195036	CNIORJUHTWXYMG-UHFFFAOYSA-N	309.341	1.676	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(C(=O)NNC(=O)N(C)C)cc1Cl	836529256	LHYUOHZYPJUDJA-UHFFFAOYSA-N	300.702	1.473	50	20	DDGD	
COc1ccc(NNC(=O)[C@@]2(C)C[C@@H]2Br)nc1	907590784	QCBRSOYLFXXRRU-KWQFWETISA-N	300.156	1.707	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](C(C)C)N(C)C)c1F	837060059	HCRTXRPBJKHCEU-ZDUSSCGKSA-N	311.357	1.642	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@@H]1c1ccsc1	584928228	BUTKNCGXSHBDAX-CQSZACIVSA-N	319.166	1.544	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21	905568793	NXLUZKBXPBAKCJ-JIMOISOXSA-N	322.748	1.335	50	20	DDGD	
CCC(C)(C)OCC(=O)NNc1nc(-c2cccnc2)no1	837407382	AFDUCIAEAUAEOV-UHFFFAOYSA-N	305.338	1.780	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(C#N)cc2)C1	838749075	QAQIQVOTZKSHAR-BETUJISGSA-N	302.334	1.070	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC[C@@]1(C)CCOC1)c1ccccc1	733351473	GAQZZNPYNXCSPG-RHSMWYFYSA-N	319.405	1.937	50	20	DDGD	
OB(O)[C@H]1CCN(c2cncc(SCc3ccccc3)n2)C1	585073038	HPCWTTYDFLKOPD-ZDUSSCGKSA-N	315.207	1.822	50	20	DDGD	
C=CCOCCNC(=O)NNC(=O)Nc1ccc(OC)cc1	836395863	XLNFQASXIWQCFH-UHFFFAOYSA-N	308.338	1.234	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@H](C)C2CCC2)cc1	839483332	ZGCNFSICKBQFOR-LLVKDONJSA-N	305.378	1.691	50	20	DDGD	
COc1cc(C(C)=NNC(=O)[C@@H]2CCCCO2)c(OC)cc1O	834987557	XHDLRMSSYFKHSL-ZDUSSCGKSA-N	322.361	1.819	50	20	DDGD	
O=C(NNC(=O)c1ccnc(C(=O)O)c1)c1ccc(Cl)cc1	833149553	UFQNJXWDMZNRGV-UHFFFAOYSA-N	319.704	1.508	50	20	DDGD	
CCC(CC)n1nccc1C(=O)Nc1cccc(B(O)O)c1	584913152	PTSVLIAPGHDQMZ-UHFFFAOYSA-N	301.155	1.176	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(F)ccc1[N+](=O)[O-]	833778501	FMKWRWZAKIHUGK-NSHDSACASA-N	311.269	1.064	50	20	DDGD	
C[C@]1(C(=O)N2CCC3(CCNC3=O)CC2)C[C@H]1Br	913791160	QCBQFLRVDVUREW-SKDRFNHKSA-N	315.211	1.289	50	20	DDGD	
Cc1ccc(/C=C(\C#N)C(=O)OCCN2CCOC2=O)cc1	913228226	DDBCUVZPMPIKNG-GXDHUFHOSA-N	300.314	1.897	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)c1ccncc1	838808954	LMEROVIUHMELKQ-UHFFFAOYSA-N	306.416	1.495	50	20	DDGD	
C#CCN(CC(=O)NNc1ncccc1C)C(=O)OC(C)(C)C	834348560	NZPYTNDCBZEGPV-UHFFFAOYSA-N	318.377	1.703	50	20	DDGD	
C[C@H](NNC(=O)CN1CSCCSC1)C(F)(F)F	912898850	RYMGQLBQMHNHFF-ZETCQYMHSA-N	303.375	1.255	50	20	DDGD	
O=C(CCCF)NNc1ccc(S(=O)(=O)C(F)F)cc1	830806153	JESDTIRLZWTUAB-UHFFFAOYSA-N	310.297	1.876	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)c1ocnc1C	747344751	HMIHJLIORATGIQ-UHFFFAOYSA-N	319.317	1.222	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@H](C)C(F)(F)F)c1	742469682	GRBIXKIPACSVHR-VIFPVBQESA-N	304.268	1.720	50	20	DDGD	
O=C(O)COc1cccc(C=NNC(=O)[C@H]2CCCCO2)c1	834987878	BOVJSXDLEUEISR-CYBMUJFWSA-N	306.318	1.169	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@H]1C[C@@]12CCc1ccccc12	743317900	QVOXSNLUBHPANA-BXUZGUMPSA-N	312.291	1.990	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC[C@@H](c2ccncc2)C1	846908008	NVWPMNWBKWEUJX-CYBMUJFWSA-N	304.394	1.064	50	20	DDGD	
Cc1oc2ccccc2c1CC(=O)NNC(=O)[C@H]1CCO[C@H]1C	843656304	MNCBLRMPOODZDU-JQWIXIFHSA-N	316.357	1.856	50	20	DDGD	
Cc1cc(C)n([C@@H](C)CC(=O)NNC(=O)NC2CCCC2)n1	744053189	FQQVSFOECISTBT-LBPRGKRZSA-N	307.398	1.724	50	20	DDGD	
O=C(Cn1cncn1)NNc1ccc(OC(F)(F)F)cc1	748502488	XRPJGSGZPJSSTE-UHFFFAOYSA-N	301.228	1.320	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCCN1c1ccccc1	843656300	PEBJUACHYUEHSI-CFVMTHIKSA-N	317.389	1.228	50	20	DDGD	
COc1ccc2c(c1)[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)CC2	843656118	MCIXBWKBXZWZLY-LERXQTSPSA-N	318.373	1.297	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ncc(F)cn1)C(=O)OC(C)(C)C	843841186	KCJAIHLFSVQVQB-SNVBAGLBSA-N	312.345	1.673	50	20	DDGD	
CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)[C@@H]1C[C@H]2C=C[C@H]1CC2	842526675	ALWWXZJYISXWSR-CYDGBPFRSA-N	313.423	1.019	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)/C=C\C2CCOCC2)cc1	846372348	SIUTXXRSRFLZBP-DAXSKMNVSA-N	318.373	1.828	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=Cc2ccn(C)c2)C[C@@H](C)O1	749857578	BVGFIWFPVIVORL-MELADBBJSA-N	306.410	1.221	50	20	DDGD	
C[C@H](COCC(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1ccccc1	844620315	SRWPAHRHLVHGMX-IPYPFGDCSA-N	320.389	1.379	50	20	DDGD	
COC1([C@H](C)NC(=O)NNC(=O)c2ccc(C#N)cc2)CCC1	840454773	UUZIXKRMRRKROH-NSHDSACASA-N	316.361	1.460	50	20	DDGD	
Cc1c(NNC(=O)[C@H]2CCCN(C(N)=O)C2)cccc1[N+](=O)[O-]	748670231	QIRVEGKZTAJJRF-JTQLQIEISA-N	321.337	1.137	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cccc2c1CCNC2=O	841780144	FIDOEXUUKRGIFD-UHFFFAOYSA-N	304.350	1.171	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccn2)no1)c1cccnc1	746092761	CEGXUFWIGWIJHV-UHFFFAOYSA-N	309.285	1.206	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)[C@@H]1CCCN1C(=O)C1CC1	843831471	VBRYEIGNJUINCP-ZDUSSCGKSA-N	309.316	1.809	50	20	DDGD	
Cc1ccsc1S(=O)(=O)NNC(=O)NCc1ccco1	741651969	BFIJMPMTPIGMTL-UHFFFAOYSA-N	315.376	1.342	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2COc3cc(O)ccc32)n1	915951036	INUKPMLBSCSGRU-UHFFFAOYSA-N	300.318	1.118	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC[C@@](O)(CC#N)C1	844015119	DENQZRAEWBYXNP-CABZTGNLSA-N	303.200	1.673	50	20	DDGD	
COc1ccc(COCC(=O)NNC(=O)OC(C)(C)C)cc1	918689073	MRIQHXOGNGLZJL-UHFFFAOYSA-N	310.350	1.768	50	20	DDGD	
CCOC(=O)[C@H](NNC(=O)[C@@H]1CCCCO1)c1ccccc1	842150585	GZPSPIBHHZQWHU-UONOGXRCSA-N	306.362	1.481	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2ncc(Br)cn2)CO1	847389283	KHDYBOFPHKLYCL-HTRCEHHLSA-N	316.159	1.043	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NN=Cc2cc(C)n(C)n2)c1	841606315	CSWOEWAYIZSWLT-UHFFFAOYSA-N	300.362	1.874	50	20	DDGD	
CC(C)(C)c1ccc(CC(=O)NNC(=O)c2ncccn2)cc1	841350720	RKKBJKZZQMVGGK-UHFFFAOYSA-N	312.373	1.778	50	20	DDGD	
COc1cccc(NNC(=O)NCC[C@H]2CCCN(C)C2)n1	841588613	BMPFZPRVORRWCF-GFCCVEGCSA-N	307.398	1.448	50	20	DDGD	
CC(CN1Cc2ccccc2C1)=NNC(=O)[C@@H]1CCO[C@@H]1C	842560512	MIJWOIFGASQCEQ-CZUORRHYSA-N	301.390	1.919	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cnn(C)c1)c1cccc(Cl)c1	741937273	TYHVSYPVHIAUES-VIFPVBQESA-N	306.753	1.638	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1ccncc1F	741214655	PJNRZLJIEBTFAJ-UHFFFAOYSA-N	300.253	1.423	50	20	DDGD	
CCONC(=O)CNC(=O)NNc1ccc(Cl)cc1C	923079952	UNOZPBUHBILJTN-UHFFFAOYSA-N	300.746	1.342	50	20	DDGD	
CCNC(=O)NN=C1C(=O)Nc2ccc(C(F)(F)F)cc21	754259194	MNCIMZARLKGVEE-UHFFFAOYSA-N	300.240	1.681	50	20	DDGD	
CC(CCc1cccc(F)c1)=NNC(=O)CN1CCCC1=O	920370522	KDMRIWJVEXHMNJ-UHFFFAOYSA-N	305.353	1.873	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)OCC(F)(F)F	856024604	BKQCROOYKRBCLN-UHFFFAOYSA-N	306.240	1.523	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC(Cc2noc(C)n2)CC1	928349543	RAAAESREWQIYDH-RAXLEYEMSA-N	304.350	1.603	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1ccc(CO)cc1	853278838	IWFWCZKWZGHWAO-CQSZACIVSA-N	303.406	1.751	50	20	DDGD	
COC1(C(C)=NNC(=O)[C@H]2COc3ccccc3O2)CCC1	853261606	ONIZEBVZFCIFGY-CQSZACIVSA-N	304.346	1.888	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@]1(c2ccccc2)CNC(=O)C1	854159978	DHVMPQOIBXHXGA-INIZCTEOSA-N	319.361	1.000	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@H](C)[C@](C)(CO)C1	856249355	WHNCCUYFRITJSY-BONVTDFDSA-N	313.829	1.829	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)C(=O)NNc1ccc([N+](=O)[O-])cc1F	855623753	OKIJHVPGSPCYLA-SECBINFHSA-N	321.312	1.789	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cc(Br)cnc1F	859328703	SUFTXSTVUWNEOP-UHFFFAOYSA-N	316.130	1.544	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1cnn(-c2ccccn2)c1	756706224	NSZJZENTRIUFMB-UHFFFAOYSA-N	316.365	1.856	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(F)n2)nn1C(C)(C)C	856421785	GFWNQOVBYCNEPI-UHFFFAOYSA-N	319.340	1.555	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)N[C@H]1CC[C@H](O)CC1	753729798	JLALESZTMYWRAS-KYZUINATSA-N	307.379	1.621	50	20	DDGD	
O=C(NNC(=O)c1cc(Br)cnc1F)NC1CC1	858778334	FCAUYRGRYFZXMJ-UHFFFAOYSA-N	317.118	1.090	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2C[C@H]2C2CC2)cc1	751746282	QYQIXMRXQFLFQC-UONOGXRCSA-N	316.357	1.345	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)C#CC(C)C)cc1OC	854235600	FOQZZNJKRUFCQE-UHFFFAOYSA-N	318.373	1.904	50	20	DDGD	
CC(C)n1ccc(CC(=O)NNC(=O)OCC(F)(F)F)n1	856023442	JODKJNNMOGWODO-UHFFFAOYSA-N	308.260	1.326	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)C1CC1)c1ccc(Cl)s1	754334257	PONGWQBJMGNWCA-VIFPVBQESA-N	315.826	2.000	50	20	DDGD	
CC(=O)N1CCC(=NNC(=O)c2cnn(C)c2)c2ccccc21	857207906	MUQOJLOGJKOXDP-UHFFFAOYSA-N	311.345	1.311	50	20	DDGD	
C[C@H]1CC/C(=C/C(=O)NNC(=O)Cc2cn3ccccc3n2)C1	753632653	RWUDXYXFKPMVOI-VWLVURMCSA-N	312.373	1.771	50	20	DDGD	
C[C@]1(CNC(=S)NC[C@H]2CCOC2)C[C@H]1Br	857203817	CSMDEVKUXQHOSR-FXPVBKGRSA-N	307.257	1.661	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC2(C)CC2)cc1OC	752001970	JQWLRGBEJJHKJV-UHFFFAOYSA-N	307.350	1.448	50	20	DDGD	
C[C@@H]1Cc2cc(C(=O)NNC(=O)[C@H]3CCCCO3)ccc2O1	854682901	HKYTVUMCLJAKIS-QMTHXVAHSA-N	304.346	1.340	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)on1	753981497	LTDLEFIGSCYORA-MRVPVSSYSA-N	323.280	1.051	50	20	DDGD	
C[C@H](C[S@@](C)=O)NC(=O)NNc1c(F)cc(F)cc1F	921925033	OSLLLCPCQZCNGF-PXKKQCTMSA-N	309.313	1.497	50	20	DDGD	
COC(=O)NC1CCN(S(=O)(=O)CCCCCl)CC1	851888885	MSZCEOMBQGZZMB-UHFFFAOYSA-N	312.819	1.156	50	20	DDGD	
CC(C)(F)CCNC(=O)NNC(=O)COc1ccccc1F	851915766	SQKBJMXDMQOYDO-UHFFFAOYSA-N	315.320	1.673	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)OCC(F)(F)F)c(O)c1C	856021240	ANMIFERQKODRGL-UHFFFAOYSA-N	306.240	1.942	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCC(F)(F)C1)c1cccc(F)n1	856427188	RFHCRGSRCQPIBJ-MRVPVSSYSA-N	301.268	1.807	50	20	DDGD	
CC(C)[C@H]1C[C@@H](C(=O)NNC(=O)NCc2ccco2)CCO1	930732281	FBXOVMVZEXFFFD-WCQYABFASA-N	309.366	1.561	50	20	DDGD	
Cc1cc(NNC(=O)C[C@@H](n2cccn2)C(F)(F)F)ncn1	857127664	WFYGXQFTJQHXRK-SECBINFHSA-N	314.271	1.618	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NNc2cc(Cl)nc(N)n2)C1	857863218	SNTXOORSYDNQQW-XPUUQOCRSA-N	321.772	1.245	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2cc(C)[nH]n2)cc(OC)c1	755374642	ORVFFEDSQBJTMT-UHFFFAOYSA-N	319.321	1.202	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=Cc1cccc(O)c1O	750945629	NZPFCQZWBZAIKG-UHFFFAOYSA-N	319.342	1.039	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNc1ccc([N+](=O)[O-])cc1F	855623921	UOCUHEWJIDGNNK-VIFPVBQESA-N	312.301	1.325	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1cnn(C[C@H]2CCCO2)c1	756737937	CZLUHDNIMKNIBJ-GFCCVEGCSA-N	307.354	1.015	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NC[C@H]1CCCN1CC(F)F	858746942	KWQAYSNMWYPLGB-SNVBAGLBSA-N	320.384	1.483	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(F)cc(F)c1	755891533	ALYGOYRUVMGXKA-VIFPVBQESA-N	316.329	1.240	50	20	DDGD	
CCCCOC(=O)c1ccc(NC(=O)NNC(=O)COC)cc1	755832003	NFOYCMKEHGDTLP-UHFFFAOYSA-N	323.349	1.443	50	20	DDGD	
COCCCNC(=O)COC(=O)[C@@H](Br)C(C)(C)C	766752230	PLMXRPZVVHMBLB-SNVBAGLBSA-N	324.215	1.492	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNc2ncc(F)cn2)cc1F	765476021	IQWJTGAMWFRUHW-UHFFFAOYSA-N	307.260	1.470	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=Cc1ccc(C2CCCC2)cc1	863186297	VURMXTAGNJZDNK-UHFFFAOYSA-N	308.403	1.839	50	20	DDGD	
O=C(NCCOC1CCC1)NNc1ncnc2ccsc12	765801412	QWVIDNGXPBPANE-UHFFFAOYSA-N	307.379	1.887	50	20	DDGD	
Cc1nn(CC(F)F)c(C)c1C(=O)NNC(=O)C1CCC1	760876537	FGJHHMMSCNKSFV-UHFFFAOYSA-N	300.309	1.326	50	20	DDGD	
C=CCC[C@@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1	862460433	GMGKPVXFGPIVBB-KGLIPLIRSA-N	315.373	1.162	50	20	DDGD	
Cc1ccc(CO[C@@H](C)C(=O)NNc2nnc(C)c(O)n2)cc1	863855014	KCBHUZGIKDATFV-NSHDSACASA-N	317.349	1.242	50	20	DDGD	
Cc1cc(C(=O)NNc2oc(C(C)C)nc2C#N)c(C)nn1	767351072	SVKCJJHVZPZIOY-UHFFFAOYSA-N	300.322	1.833	50	20	DDGD	
OB(O)c1ccccc1CNCCCSc1nccs1	863888416	OMRAZZNWGJNZOW-UHFFFAOYSA-N	308.237	1.095	50	20	DDGD	
COCCCOCC(=O)NNc1nc2ccccc2[nH]c1=S	862292638	JQVQNERRAFNFHG-UHFFFAOYSA-N	322.390	1.789	50	20	DDGD	
C[C@H](C(=O)NC[C@]1(C)C[C@H]1Br)[C@@H]1CCC(=O)N1	862259107	YKNPJHNSUFWMDZ-UOKLYIGXSA-N	303.200	1.191	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNCC(F)(F)C(F)(F)F	863091570	KXJUASGNQJLSJL-UHFFFAOYSA-N	300.231	1.469	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1	763517278	VNOXBWUPHMPICY-UHFFFAOYSA-N	316.317	1.064	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccnc1)c1ccc(C)c(C)c1	763199766	QTCNNALHJVBUGM-UHFFFAOYSA-N	324.384	1.969	50	20	DDGD	
Cc1cc(NC(=O)c2c(C)nn(CCCl)c2C)c(=O)n(C)c1	766743434	KIMSHVGQJYIKOL-UHFFFAOYSA-N	322.796	1.998	50	20	DDGD	
Cc1cc(=NNC(=O)CSc2nccn2C(C)(C)C)cc[nH]1	862510527	JXNNDLPQPOWPJR-UHFFFAOYSA-N	319.434	1.999	50	20	DDGD	
CC1(C)CC(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC(C)(C)C1	862463465	FEEFGTSHJQDUBL-NSHDSACASA-N	309.410	1.265	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NNc1cc(C)ncn1	863875157	MUTXRCDABHOESH-NSHDSACASA-N	323.397	1.874	50	20	DDGD	
Cn1c(C=NNC(=O)N2CCOCC2)nc2ccc(Cl)cc21	763355311	CGSXUBSUSFWBSD-UHFFFAOYSA-N	321.768	1.602	50	20	DDGD	
COc1cccc(NCC(=O)NN=C2CCS(=O)CC2)c1	761803857	GPYXVAYMUXLVIQ-UHFFFAOYSA-N	309.391	1.122	50	20	DDGD	
COc1cc(NNC(=O)[C@H](C)[C@@H]2CCC(=O)N2)ccc1Cl	861401961	KZCMNIFPDFXODG-KCJUWKMLSA-N	311.769	1.706	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(F)c(F)cc1F)[C@H]1CCC(=O)N1	860326594	LRCQTPHTDUIIMV-LHLIQPBNSA-N	301.268	1.462	50	20	DDGD	
CCN(CC(=O)NNC(=S)NC(C)C)C(=O)OC(C)(C)C	1116076530	FEAXWSWKVBEEDY-UHFFFAOYSA-N	318.443	1.147	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(COc2ccccc2F)on1	767249916	MNZOCAROVRWLPU-UHFFFAOYSA-N	322.296	1.357	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc2c1OCC[C@H]2OC	879428283	SNKGODQCVHXJKD-CYBMUJFWSA-N	309.366	1.771	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC[C@@H](CC(N)=O)C1	768223218	KLTGGRAKCWXVNA-ONGXEEELSA-N	319.243	1.910	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H]2CC(=O)NNc1cccnn1	760583271	YVMAIROUWSDMKP-JTQLQIEISA-N	300.318	1.495	50	20	DDGD	
CCS(=O)(=O)c1c(Cl)cccc1C=NNC(=O)COC	774390319	MHXBJVQCLMOODQ-UHFFFAOYSA-N	318.782	1.230	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@H]2CCCN3CCCC[C@H]23)cc[nH]1	875707253	ONWLHIVTAXFBPK-LSDHHAIUSA-N	303.410	1.455	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(F)cn1)n1nnnc1C(C)(C)C	874649152	IYRRDSRGZCDZNC-QMMMGPOBSA-N	307.333	1.209	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@H](OCC2CC2)C1	778178081	XZDKIQMQPHRUDG-ZDUSSCGKSA-N	311.426	1.071	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(C)cc(Br)c1	776982697	GQPVLSWEYLYJLH-UHFFFAOYSA-N	316.155	1.557	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(C)c(OC)c(C)c1	772240513	UHIKHFJBYARDCT-LLVKDONJSA-N	322.361	1.415	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1cc(C)ccc1C	772087680	JWHHHWNMCPQUKS-GFCCVEGCSA-N	306.362	1.335	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccc(F)c([N+](=O)[O-])c1)N1CCCC1=O	771591368	XAXCKFSUXBRPIY-NSHDSACASA-N	324.312	1.578	50	20	DDGD	
Cc1cc(C)cc(CC=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c1	872388839	OKAYSFIYRJNOOX-SJORKVTESA-N	315.417	1.811	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2CC[C@@H](SC)C2)cc1	1116172831	MWKAZJPWDSGCMP-DGCLKSJQSA-N	323.418	1.923	50	20	DDGD	
Cn1ccc(NNC(=O)c2ccc3c(O)nc(S)nc3c2)n1	1116836742	HUFTZMUGKQFGMG-UHFFFAOYSA-N	316.346	1.115	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)c1cccc(Cl)c1)[C@@H]1CCCO1	773557220	FEDVIBPTGANZAC-STQMWFEESA-N	321.764	1.465	50	20	DDGD	
CC(C)S(=O)(=O)c1cccc(C(=O)NNc2cnccn2)c1	771734383	ADBNCQRLBDUXID-UHFFFAOYSA-N	320.374	1.416	50	20	DDGD	
O=C(CC1C2CC3CC(C2)CC1C3)NNC(=O)c1cccnn1	882056403	SMBPIWFUIXEYBM-UHFFFAOYSA-N	314.389	1.700	50	20	DDGD	
CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1cccnn1	883693450	CAKCZRYIOCFMKL-GHMZBOCLSA-N	305.382	1.635	50	20	DDGD	
C[C@H](Cc1ccccc1F)NC(=O)NNC(=O)C1CCOCC1	883182328	ZLVDPWDJKKFDET-LLVKDONJSA-N	323.368	1.514	50	20	DDGD	
CCCN(CC(=O)NNC(=O)c1cccc(C)c1)CC1CC1	777534816	IHQBRLJWSWRFOC-UHFFFAOYSA-N	303.406	1.878	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)cc1O	882048994	WBEGGBQKRULGCS-UPJWGTAASA-N	319.405	1.723	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(N2CCOCC2)cn1	772402133	GBYHHUKVMJQFRL-NSHDSACASA-N	321.381	1.117	50	20	DDGD	
C[C@@H]1C[C@@H](CCNC(=O)NNc2ccc(C#N)cn2)CCO1	888791356	KYDJXLMDLIHOQN-NEPJUHHUSA-N	303.366	1.785	50	20	DDGD	
O=S(=O)(CCCCl)NCc1ccc2oc(O)nc2c1	882513452	NDENCFGBOGUADI-UHFFFAOYSA-N	304.755	1.582	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C1=Cc2cccc(OC)c2OC1	887143276	SFDHFJWHUSFMNO-UHFFFAOYSA-N	314.341	1.422	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(OC)cc1OC(C)C	789844615	BAWITXZEAVVPEA-UHFFFAOYSA-N	309.366	1.789	50	20	DDGD	
CCOC(=O)[C@@H]1CCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)C1	884734725	HPPSHHMUSBLHTJ-OZYJXZHSSA-N	314.341	1.711	50	20	DDGD	
O=C(COc1ccc(F)cc1F)NNc1ncncc1Cl	781834593	ZBKDCSQJXXXHEZ-UHFFFAOYSA-N	314.679	1.930	50	20	DDGD	
CCC(=NNC(=O)[C@H]1COc2ccccc2O1)c1cn[nH]c1	788955880	XBJPZDXINDJSRV-CQSZACIVSA-N	300.318	1.480	50	20	DDGD	
CC(=O)N1C[C@H](C(=O)N2CC=C(C#N)CC2)Oc2ccccc21	780689092	SOZSAXRPVBVZSB-MRXNPFEDSA-N	311.341	1.483	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1ccc(N2CCOC2=O)cc1	783018755	QDUVJFUKOQNRBO-UHFFFAOYSA-N	320.349	1.130	50	20	DDGD	
Cn1cc(-c2nn(C)cc2C(=O)NNc2ccnc(F)c2)cn1	781005056	QPBWCMRCJSMMOF-UHFFFAOYSA-N	315.312	1.112	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1ccc(Cl)cc1F	783513797	VQSQRLGLXNTZRE-UHFFFAOYSA-N	323.711	1.952	50	20	DDGD	
CNc1cc(C(=O)NNc2ncncc2Cl)cc(Cl)n1	781833760	OWMJKWKNUXGQRZ-UHFFFAOYSA-N	313.148	1.977	50	20	DDGD	
C[C@H](Cc1ccccc1)NC(=S)NNC(=O)c1cccn1C	786059782	DUCHRURKZSPJQI-GFCCVEGCSA-N	316.430	1.765	50	20	DDGD	
Cc1cc(=NNC(=O)NCCOC2CCSCC2)cc[nH]1	899060918	GMDRBXMIVXBWNN-UHFFFAOYSA-N	310.423	1.350	50	20	DDGD	
Cn1c(=NNC(=O)Cc2ncccc2F)sc2ccccc21	792044854	PNXMXRQCBCZTTE-UHFFFAOYSA-N	316.361	1.949	50	20	DDGD	
Cc1nc2cc(C(=O)NNc3cc(Cl)nc(N)n3)ccc2o1	792309523	AUSRYHPNLYQQEF-UHFFFAOYSA-N	318.724	1.919	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CCc1ccc(O)nc1	798312081	RWHDHAZMAHZYKR-UHFFFAOYSA-N	314.345	1.881	50	20	DDGD	
CCN(C(=O)[C@@H](Br)C(C)(C)C)[C@@H]1CCNC1=O	799770585	CHVWPNMWYXYXHA-RKDXNWHRSA-N	305.216	1.533	50	20	DDGD	
CCOc1ccc([N+](=O)[O-])cc1NC(=O)NNc1ncccn1	799236594	VAIGBEVZFFLBOE-UHFFFAOYSA-N	318.293	1.932	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])[nH]1	791148139	QRAWTJXQPCCPJT-UHFFFAOYSA-N	309.213	1.727	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cn3c(n2)CCCC3)nc1	799713126	QITNYRQWBGNNJG-UHFFFAOYSA-N	315.333	1.158	50	20	DDGD	
CO[C@@H]1CCC[C@H](CC(=O)NNC(=O)Cc2cccnc2)C1	793428330	YGQNGOPCSIQTFP-GXTWGEPZSA-N	305.378	1.367	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)c1cc(Cl)ccc1O	794902100	NXZBXDAFLMMWSV-CYBMUJFWSA-N	300.742	1.622	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H](O)c1ccccc1	792798938	TYVFJBQIPXMAOZ-INIZCTEOSA-N	314.341	1.119	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1ncc(CN(C)C)s1	794695854	QAQJQSOGRQBGGA-YRNVUSSQSA-N	308.407	1.264	50	20	DDGD	
C[S@](=O)c1ccc(C=NNC(=O)Cc2cccnc2)cc1	1322322238	DEEDAVJAVJWKNJ-NRFANRHFSA-N	301.371	1.512	50	20	DDGD	
CC(=O)N[C@H](CC(C)C)C(=O)NNC(=O)Cc1ccccc1F	1329238639	LCJGOUYZGWUZEC-CQSZACIVSA-N	323.368	1.066	50	20	DDGD	
Cc1conc1NC(=O)NNc1ccc(-n2ccnc2)nn1	1324636387	WATQSHNBKFQRDO-UHFFFAOYSA-N	300.282	1.107	50	20	DDGD	
O=C(NNC(=O)c1ncoc1[C@@H]1CCCO1)Nc1ccccc1	1321257875	IDYHHCBPIPDQIX-NSHDSACASA-N	316.317	1.993	50	20	DDGD	
C[C@@](O)(C(=O)NNc1cncc(Br)c1)C1CC1	1324326342	BAUAISVAPNQOML-NSHDSACASA-N	300.156	1.448	50	20	DDGD	
C[C@@H](Oc1cccnc1)C(=O)NNc1nncc(N)c1Cl	1324009804	XFEVBYKJJSPQJQ-SSDOTTSWSA-N	308.729	1.018	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ncc(Cl)cc2C)nn1	1327635708	XPYZQISZYMDCKZ-UHFFFAOYSA-N	320.740	1.224	50	20	DDGD	
CC(C)c1ncc(NC(=O)C(=O)NNc2cccc(F)n2)cn1	1324974040	RLDXXLCNGZBTCO-UHFFFAOYSA-N	318.312	1.216	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)CCN1CCC(C)CC1	1322225651	XSBWHQFDCHSZFX-GFCCVEGCSA-N	300.472	1.402	50	20	DDGD	
CC(=O)N1CCC(C(=O)NNc2cc(C#N)cc(Cl)n2)CC1	1324724480	FUITXWYUHBYVAQ-UHFFFAOYSA-N	321.768	1.308	50	20	DDGD	
O=C(NN=C1CC(=O)N2CCCC[C@@H]12)c1n[nH]c2c1CCCC2	1321668655	PALQTXGLVPNDEU-ZDUSSCGKSA-N	315.377	1.159	50	20	DDGD	
CCc1cccc2c1NC(=O)C2=NNC(=O)C[n+]1ccccc1	1321221844	YGFZIBUQMNKYSJ-UHFFFAOYSA-O	309.349	1.009	50	20	DDGD	
O=C(NNc1cccnn1)C(=O)Nc1ccc(OC(F)F)cc1	1255507917	LMLMCEJNVQXVCD-UHFFFAOYSA-N	323.259	1.160	50	20	DDGD	
CCN(C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br)C1CC1	1331374883	MYCAAYWIJMDUNZ-CABZTGNLSA-N	303.200	1.287	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CC(C1CC1)C1CC1	1255111969	ZKGSAHOEBDZMFP-LLVKDONJSA-N	324.421	1.938	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)NC[C@H]2C=CCC2)C[C@H]1Br	1338780745	YRUGNTXISHGGQO-OPQQBVKSSA-N	315.211	1.359	50	20	DDGD	
C[C@H](C(=O)NNc1ncnc2[nH]cnc12)c1ccc(F)c(F)c1	1252256839	UTAGTVVMDVOROH-ZETCQYMHSA-N	318.287	1.878	50	20	DDGD	
C[C@@H](NC(=O)NNc1nncc(N)c1Cl)[C@@H]1CCCOC1	1254358698	LMUUUVUTXSFIJK-HTQZYQBOSA-N	314.777	1.153	50	20	DDGD	
CC(C)NC(=S)NNC(=O)Cc1cccc(F)c1[N+](=O)[O-]	1330273258	AOESJNZSOIDUJU-UHFFFAOYSA-N	314.342	1.180	50	20	DDGD	
C[C@]1(Cn2nnnc2N2CCCCC2)C[C@@H]1Br	1262471319	LFCIIDNUHKEYTF-GXSJLCMTSA-N	300.204	1.837	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1ccc(C(=O)O)cc1F	1605815824	VUDXHKFRLBRLRD-UHFFFAOYSA-N	309.297	1.867	50	20	DDGD	
O=C(O)Cc1occc1C(=O)NNc1cccc([N+](=O)[O-])c1	1608794052	DPVQMVAVRWRIIZ-UHFFFAOYSA-N	305.246	1.572	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNc2ccccc2C(=O)O)n1	1600597872	IMLWZYCPEIXBMI-JTQLQIEISA-N	302.334	1.669	50	20	DDGD	
Cc1ccc(NNC(=O)c2cn(CC(=O)O)nn2)c(Cl)c1	1605296598	MNTBLZJEDUQYQO-UHFFFAOYSA-N	309.713	1.081	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cccc1C(=O)O	1600055460	CJLUMVHJWDUBMR-QXJJFIIZSA-N	302.330	1.560	50	20	DDGD	
Cc1cc(COC(=O)/C(C#N)=C\c2cnn(C)c2)oc1C(=O)O	1600213980	XJQXTXPCQBUEFO-WCIBSUBMSA-N	315.285	1.670	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C\c1cccc(F)c1-c1nn[nH]n1	1606336745	JZKFHSZLIZAPOB-WTKPLQERSA-N	306.264	1.173	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	1600108695	SHRFUJATDYUKRT-CABZTGNLSA-N	306.318	1.022	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@@H]1C=NNC(=O)c1ccccn1	1552760459	QKEZJYKQFKQKJK-OCCSQVGLSA-N	313.361	1.791	50	20	DDGD	
Cc1cc([C@H](N)CC(=O)NN=c2cc[nH]c(C)c2)cc(Cl)n1	1579636219	WPLGNSXCKKWFTI-CYBMUJFWSA-N	319.796	1.702	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)[C@@H]2CC[C@H](C3CC3)N2)c1	1579351829	WIEJEYCXRRWGDA-KGLIPLIRSA-N	323.418	1.064	50	20	DDGD	
O=C(C[C@@]1(O)CCCNC1)NNc1cc(C(F)(F)F)ccn1	1580497591	COPLOOJTJTVVCH-LBPRGKRZSA-N	318.299	1.048	50	20	DDGD	
CC(C)(C(=O)NNc1ncccc1C(=O)O)c1nccs1	1588609809	FKUNZEQNYWVDAA-UHFFFAOYSA-N	306.347	1.657	50	20	DDGD	
N[C@@H](C(=O)NNC(=O)Cc1cccc2ccccc12)C1CCC1	1580115142	MZZRWZXJWYTSKV-QGZVFWFLSA-N	311.385	1.657	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1ccc(C(C)=O)o1	1599376256	KVKGICSOJMVVCO-UHFFFAOYSA-N	318.285	1.946	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cc(C(=O)O)ccn2)o1	1594347099	VBUQMAZCDQZINK-UHFFFAOYSA-N	304.262	1.148	50	20	DDGD	
COC(=O)CCCCC(=O)NNc1cccc(C(=O)O)c1C	1598851602	RERCIKJPVMSADV-UHFFFAOYSA-N	308.334	1.870	50	20	DDGD	
C[C@]1(C(=O)NN=Cc2ccc(-c3nn[nH]n3)cc2F)CCCO1	1590068303	FXHPXIXTEHYDMR-CQSZACIVSA-N	318.312	1.025	50	20	DDGD	
N#Cc1ccc(C(=O)O)c(C=NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)c1	1776091005	MWPFRUVRMFMOEJ-MRVWCRGKSA-N	313.313	1.274	50	20	DDGD	
COCc1ccc(C(=O)NNC(=S)Nc2ccccn2)cc1	161866614	GCRZIRFUTUPPAQ-UHFFFAOYSA-N	316.386	1.859	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1nnc2n1CCCC2	162821173	MXNNQZIDNFCMBA-UHFFFAOYSA-N	322.800	1.919	50	20	DDGD	
Cc1[nH]c(-c2ccccn2)n/c(=N/NC(=O)Cc2ccoc2)c1C	163652140	PYKKAZOUNMAYEP-UHFFFAOYSA-N	323.356	1.856	50	20	DDGD	
CCCCC[C@H](C)CC(=O)NNC(=O)C(=O)Nc1ccccn1	152158786	JIOLAVNSUQZTPJ-LBPRGKRZSA-N	320.393	1.774	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCc2ccccc2)cc1	153720070	ILGTUNHNNQGLMM-UHFFFAOYSA-N	313.357	1.904	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccc3c(c2)C(=O)NC3=O)cc1	155152857	UPJAUHXJDBSVRX-UHFFFAOYSA-N	306.281	1.199	50	20	DDGD	
Cn1ccnc(NNC(=O)c2ccc(C(C)(C)C)s2)c1=O	159872740	SDYAZRMXTDVDKK-UHFFFAOYSA-N	306.391	1.896	50	20	DDGD	
OCCO[C@H]1CCCN(C[C@@H](CBr)C2CC2)C1	859142121	SXDFJGYXFNXCIN-OLZOCXBDSA-N	306.244	1.881	50	20	DDGD	
C=C(C)CNC(=S)NNC(=O)CNc1cccc(OC)c1	7556003	VESFUPANMIYMOH-UHFFFAOYSA-N	308.407	1.179	50	20	DDGD	
CN1CCC(CCNC(=O)NNC(=O)c2ccccc2)CC1	103320579	AFZGQXJEFGNXIA-UHFFFAOYSA-N	304.394	1.363	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNC(=O)Cc2cccnc2)[nH]n1	103456733	WGVYJTRUYPIGAG-UHFFFAOYSA-N	301.350	1.106	50	20	DDGD	
CC(=O)NCCNC(=O)NNc1ccc(OC(F)F)cc1	102545208	VXEJXIDOCOSPAY-UHFFFAOYSA-N	302.281	1.050	50	20	DDGD	
CCCCC[C@H](C)NC(=O)NNC(=O)CNC(=O)c1ccco1	101619530	OBFNCGIGVCUNED-NSHDSACASA-N	324.381	1.309	50	20	DDGD	
CCc1cc(NNC(=O)[C@H](C)OC)nc(-c2ccccn2)n1	115155955	WSHDAVKOIKMVAU-JTQLQIEISA-N	301.350	1.579	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2CCC[C@H](N(C)C)C2)n1	176588280	PBGZYKZIQFWBNK-NEPJUHHUSA-N	322.413	1.293	50	20	DDGD	
Cc1cnc(NC(=O)NNC(=O)Cc2ccccc2F)s1	171832730	PCARUGAABAGGRW-UHFFFAOYSA-N	308.338	1.986	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@H]1CCn2ccnc2C1	119688455	JHUQQNZLPKDHSZ-JTQLQIEISA-N	301.306	1.497	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)Cn1cc([N+](=O)[O-])nc1C	119044752	YJGPXAYNFRTYLS-UHFFFAOYSA-N	307.285	1.691	50	20	DDGD	
COC[C@@H](NC(=O)NNc1nc(C)cc(C)n1)c1ccco1	175734477	MFQIKFYZAWLBLM-LLVKDONJSA-N	305.338	1.700	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2F)c(=O)[nH]1	175814848	DNXXJYQNSSUGEL-UHFFFAOYSA-N	323.711	1.551	50	20	DDGD	
C[C@@H](OCc1ccccc1)C(=O)NNC(=O)NC1CCCC1	65919609	GLCWALQUQYLWQY-GFCCVEGCSA-N	305.378	1.865	50	20	DDGD	
CO[C@@]1(C)C[C@H](NC(=O)NNc2cncc(Cl)n2)C1(C)C	173717408	WEQKDXFLLBCOBE-SDBXPKJASA-N	313.789	1.960	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@H]1CCCN(CC(F)(F)F)C1	171482207	LUKSMAHTRYRRAH-JTQLQIEISA-N	323.359	1.844	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CCCO[C@@H](C)C2)cc(C#N)n1C	171011166	YRTCNAQMPYHRKK-CUTJPZLCSA-N	312.373	1.750	50	20	DDGD	
CNC(=O)c1ccc(/C=C/C(=O)NNC(=O)CCC(C)C)cc1	66573105	ZBXLTBFCXLTMQB-YRNVUSSQSA-N	317.389	1.643	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)c2ccc[nH]2)c(C)c1C	117227562	ULQYEOMPHJJTKL-UHFFFAOYSA-N	323.374	1.263	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1csc(-c2ccccc2)n1	65191230	LEANSTGNKAJNOD-UHFFFAOYSA-N	304.375	1.703	50	20	DDGD	
CNS(=O)(=O)c1cc(C(=O)NNc2ccc(C)cc2)co1	129786246	NSCXFXBZQJMFMX-UHFFFAOYSA-N	309.347	1.253	50	20	DDGD	
CSC[C@H](C)C(=O)NNC(=O)c1cccc2ncccc12	66839043	OOSSTCGTOKANOO-JTQLQIEISA-N	303.387	1.995	50	20	DDGD	
Cc1ccc(F)c2c1C(=NNC(=O)C1CCOCC1)C(=O)N2	1353093341	NNIWOMRYRAOWEE-UHFFFAOYSA-N	305.309	1.333	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCn1cnc2ccccc21	121364519	LHORVJQIJXYZCR-UHFFFAOYSA-N	303.366	1.557	50	20	DDGD	
CCc1ncc(NC(=O)C(=O)NNc2cccc(Cl)c2)cn1	120161082	PMCMBQFLYUTVEA-UHFFFAOYSA-N	319.752	1.774	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1ccn(-c2cccc(F)c2)n1	129953877	NTNFJLPUCLCIHB-UHFFFAOYSA-N	313.292	1.414	50	20	DDGD	
CO[C@]1(C)C[C@H](NC(=O)NNc2nc3ccccn3n2)C1(C)C	189394809	UXGRGHPXUJEQHH-ZUZCIYMTSA-N	318.381	1.559	50	20	DDGD	
CC(C)C(=O)NCCCNC(=O)NNc1cccc([N+](=O)[O-])c1	121918820	WMOYTYOBHGJCAJ-UHFFFAOYSA-N	323.353	1.383	50	20	DDGD	
CCOc1ccccc1OCCOc1ccc(B(O)O)cc1	314941955	MBDIFQFQQNYPSW-UHFFFAOYSA-N	302.135	1.223	50	20	DDGD	
O=C(CCOC[C@H]1CCCO1)NNc1ncnc2ccsc12	132607349	DONIRAABGVIXDD-SNVBAGLBSA-N	322.390	1.720	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNc1cccnn1)c1ccccc1	77541200	ISGMNJLAMSUSTP-ZDUSSCGKSA-N	300.366	1.406	50	20	DDGD	
Cn1nnc2cc(C(=O)NNc3cccc([N+](=O)[O-])c3)cnc21	183409814	DVKGCHXOUKPSBC-UHFFFAOYSA-N	313.277	1.028	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)[nH]1	133610370	IPRVGXHEYKXUAW-UHFFFAOYSA-N	320.312	1.147	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cccc2cc[nH]c12	80435104	FWIRPTFUMPEKAK-UHFFFAOYSA-N	316.361	1.234	50	20	DDGD	
CC(C)N1CC[C@H](NC(=O)/C(C#N)=C\c2ccc(O)cc2)C1=O	194610154	BCTGZWVTRFPWDQ-CTXBLAANSA-N	313.357	1.425	50	20	DDGD	
CC[C@H](C(=O)NNc1ncnc2ccsc12)N1CCCC1=O	132911656	HPCYADWBBWUDTI-SNVBAGLBSA-N	319.390	1.535	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Nc2ncccc2C)c1	145389177	DFVUXKVUMSLNDD-UHFFFAOYSA-N	314.345	1.930	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NC[C@H]1CCCCO1	140378831	PIVDBRFJOMSNCF-CYBMUJFWSA-N	321.377	1.137	50	20	DDGD	
CN(C)N(C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1	249309255	HTJWICMBXRXVJF-XUXIUFHCSA-N	314.451	1.305	50	20	DDGD	
O=C(NCc1ccccc1-n1ccnc1)NNC(=O)C1CCC1	264728753	MKMSRRHQDVTPCF-UHFFFAOYSA-N	313.361	1.503	50	20	DDGD	
Cc1cc(F)cc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)c1	274265320	YJYJRCSSQWFQLX-UHFFFAOYSA-N	311.313	1.629	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C(=O)N2CCC[C@H](C)C2)cc1	274537296	DBEGXRNGVGBBBL-LBPRGKRZSA-N	317.389	1.269	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)n1	273305689	UXQJRYICGUSQQD-SNVBAGLBSA-N	322.365	1.064	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)NNc2cccc(F)c2[N+](=O)[O-])C1	365760030	WWHZACGLZRASMG-AWEZNQCLSA-N	324.312	1.436	50	20	DDGD	
CCCN(CCC)C(=O)c1cccc(C(=O)NNC(=O)OC)c1	274176284	CGHBIAZBDRGWBL-UHFFFAOYSA-N	321.377	1.950	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1c(C)c(C)nn(C)c1=O	270990125	DVMABNIPDBMWGR-UHFFFAOYSA-N	304.325	1.602	50	20	DDGD	
COc1cccc(-c2nc(C(=O)NNC(=O)N(C)C)c(C)[nH]2)c1	270125721	WRYBRWHDDAJCAY-UHFFFAOYSA-N	317.349	1.310	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCc1ccc(OC)c(OC)c1	271243950	BLVRIEYJTDQVHQ-UHFFFAOYSA-N	309.366	1.329	50	20	DDGD	
COC(=O)NNC(=O)[C@@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1	274279159	JFMVHPUHLFIGAK-GFCCVEGCSA-N	319.361	1.352	50	20	DDGD	
CCCCOCCNC(=O)NNc1cccc(C(=O)OC)c1	272650753	KGBYOPWTVOOLCO-UHFFFAOYSA-N	309.366	1.916	50	20	DDGD	
CC(C)[C@H]1C[C@H](CC(=O)NNC(=O)c2ccncc2)CCO1	272920755	AXVBAGBUQNKHGU-TZMCWYRMSA-N	305.378	1.684	50	20	DDGD	
COC[C@@H](CNC(=O)NNC(=O)c1cc2ccccc2o1)OC	272908940	JHOAGBSKIYSKFV-LLVKDONJSA-N	321.333	1.038	50	20	DDGD	
COC(=O)c1c(C)[nH]c(C(=O)NNc2ncccc2C)c1C	276656754	BDNMWSBMHIXBEZ-UHFFFAOYSA-N	302.334	1.878	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(CNC(=O)OC)cc1	276089511	VWKMEHPMKDSHSR-UHFFFAOYSA-N	323.353	1.240	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1	280603910	OTRGWSMZONVZPB-CQSZACIVSA-N	312.373	1.824	50	20	DDGD	
COCCN(C)NC(=O)Cc1ccc(F)c(Br)c1	288183355	FBUBVUKYYZBOKU-UHFFFAOYSA-N	319.174	1.740	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNc2nc(O)c3ccccc3n2)O1	282172658	KVTAVJGCKQTKPY-LNLATYFQSA-N	302.334	1.592	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(OCC(F)(F)F)cn1	286177946	CETZLKJGZAUUSM-UHFFFAOYSA-N	307.228	1.366	50	20	DDGD	
COC(=O)N(C)NC(=O)CCCc1ccc(OC)cc1OC	286237238	GICFMBFHVAITNN-UHFFFAOYSA-N	310.350	1.756	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NNc1cccc(S(C)(=O)=O)c1	280115368	BBAHBJUUEQQIHY-GHMZBOCLSA-N	324.402	1.539	50	20	DDGD	
COC(=O)NNC(=O)Nc1nc(C2CCOCC2)cs1	287364663	KDRBBXWOQMCFSD-UHFFFAOYSA-N	300.340	1.430	50	20	DDGD	
CCc1nc(C)c(CNC(=O)NNc2nc(C)cc(OC)n2)o1	293619253	JMXJLYHUKKVLEQ-UHFFFAOYSA-N	320.353	1.479	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(C[C@H](C)NC(=O)NNc2ncncc2F)C1	293181617	YMDQQOGVDCKUHG-TUAOUCFPSA-N	324.404	1.608	50	20	DDGD	
COCCOc1cc(C)ccc1NC(=O)NNc1ccncn1	296449086	OVQRICYMTOFQFN-UHFFFAOYSA-N	317.349	1.959	50	20	DDGD	
COc1cccc([C@H](C)CC(=O)NNC(=O)[C@@H]2CCCCO2)c1	295249537	ABSZWVHLRZBURK-DOMZBBRYSA-N	320.389	1.905	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)C2(c3cccc(F)c3)CCC2)O1	293817650	FAKMWSXUTNDPIQ-FZMZJTMJSA-N	320.364	1.962	50	20	DDGD	
CC(C)S(=O)(=O)CC(=O)NNc1nccnc1C1CCC1	805468292	GBMXDGKSILBSNR-UHFFFAOYSA-N	312.395	1.010	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2COC[C@@H]2OC)cc1	292069204	KVXCQIYMIRHZHS-UKVVFRCISA-N	316.357	1.522	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)COC2(C)CCC2)cc1	802120499	CDBOTFUISCOZJI-UHFFFAOYSA-N	320.393	1.865	50	20	DDGD	
Cc1cc(C)cc(OCCNC(=O)NNc2ncncc2F)c1	292864841	BKVUMOXKAVIEFL-UHFFFAOYSA-N	319.340	1.938	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NN=Cc1cc(F)ncc1F	807949346	FABHHIYMKXRZBY-UHFFFAOYSA-N	315.283	1.860	50	20	DDGD	
CN(C)CCc1ccccc1NC(=O)NNC(=O)[C@@H]1CCCO1	297734979	JMZJRHQVMRWDMH-AWEZNQCLSA-N	320.393	1.122	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2cnnn2CC)cc1C	294796502	TUURZMIISCDXRC-UHFFFAOYSA-N	317.349	1.540	50	20	DDGD	
CC(C)(C)n1cnc(C(=O)NNC(=O)Nc2ccccc2)n1	291586734	FVLSDDMUGFTMCA-UHFFFAOYSA-N	302.338	1.500	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2ccnn2CCN(C)C)n1	296738403	CEFUMCKOXDOVDR-UHFFFAOYSA-N	318.385	1.000	50	20	DDGD	
CN1CCCC[C@@H]1C(=O)NNC(=O)Nc1cc(F)cc(F)c1	801999834	LUDZIQCLMQFINP-GFCCVEGCSA-N	312.320	1.602	50	20	DDGD	
O=C(NNc1ncccc1F)c1ccccc1Cn1cncn1	804213516	LPXNBMZLXMAADR-UHFFFAOYSA-N	312.308	1.617	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1ncccn1)Cc1ccccc1	298012918	DZXXNDVCBMOQQE-CYBMUJFWSA-N	301.350	1.360	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2F)O1	294154462	HUQZPCZNBYWOSQ-CPCISQLKSA-N	311.269	1.062	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1nc2cccnc2s1	801165313	WURNAKQOOAPLNP-UHFFFAOYSA-N	313.342	1.090	50	20	DDGD	
C=C[C@@H](CO)NS(=O)(=O)c1ccc(CCCCl)cc1	290094778	DXUYBKLOAWERDY-LBPRGKRZSA-N	303.811	1.683	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2ccc3ccccc3c2)n[nH]1	811472022	RTXUGFUHWWMYFP-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
COc1cc(O)c(C=NNC(=O)N=c2cc[nH]cc2)cc1OC	815002084	LXFFLHSBCLEOKJ-UHFFFAOYSA-N	316.317	1.382	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=C2CCC[C@H](C#N)C2)c1	814802126	SMMJUGAYMIZBBI-NSHDSACASA-N	319.386	1.890	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)Nc2ccccc2)n1C	816595498	PTHGNBKQTQPIAY-UHFFFAOYSA-N	316.317	1.278	50	20	DDGD	
Cn1c(N)nc(Cl)c1C=NNC(=O)c1ccc2c(c1)OCO2	814699763	JEWKECIZWJHZHE-UHFFFAOYSA-N	321.724	1.148	50	20	DDGD	
COCCOc1cc(C(=O)NN(C)C2CC2)nc2ccccc12	819650846	ZWLNWFLBIRKNLH-UHFFFAOYSA-N	315.373	1.999	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)C(=O)Nc1ccc(C#N)cn1	815573362	HZUCJMJWQXKQFX-UHFFFAOYSA-N	313.292	1.483	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C1COc2ccccc21	814719586	VKJDXFHCOPECMD-UHFFFAOYSA-N	312.325	1.987	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=C1CCS[C@H]1C	814766355	IHVSUBDEQIFTRI-LOWDOPEQSA-N	313.467	1.729	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c(C)o1	814203447	ABAXGYRBJKEVDL-UHFFFAOYSA-N	303.274	1.095	50	20	DDGD	
CCC(=O)N1CCC[C@H](C(=O)NNc2ccc(OC)cc2)C1	729273705	ABEIGMWXYMJPDH-LBPRGKRZSA-N	305.378	1.787	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2nc3c(s2)CCCC3)n[nH]1	814787186	JSQKNDFKNGBUST-UHFFFAOYSA-N	303.391	1.746	50	20	DDGD	
O=S(=O)(N[C@@H]1CC[C@H]1O)c1ccc(CCCCl)cc1	819907164	QGAQPAADXRAGPZ-CHWSQXEVSA-N	303.811	1.660	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCCCN1C1CCCC1	825765469	YBQOHUSRFVEOLV-AWEZNQCLSA-N	319.409	1.276	50	20	DDGD	
CCOC(=O)NCC(=O)NNc1nc2c(C)cccc2s1	828367136	HUFVRRFIUSABSM-UHFFFAOYSA-N	308.363	1.794	50	20	DDGD	
CCOC(=O)NN=C(C)c1ccc(NS(=O)(=O)CC)cc1	491235534	WNOTVAASRHXGEC-UHFFFAOYSA-N	313.379	1.918	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCc1ccccc1C(F)(F)F	823906819	DANGXIHRUVXYBH-JTQLQIEISA-N	304.312	1.982	50	20	DDGD	
N#C/C(=C\c1ccc(-c2nn[nH]n2)s1)C(=O)NC1CCCC1	822796237	NHWWTRDRQSTRMB-VQHVLOKHSA-N	314.374	1.894	50	20	DDGD	
COC(=O)[C@H]1CC[C@H](C(=O)NNC(=O)OC(C)(C)C)CC1	495907414	AFDRGKIWKWMXIJ-MGCOHNPYSA-N	300.355	1.522	50	20	DDGD	
CCOC(=O)NNC(=O)CCCN(C)C(=O)OC(C)(C)C	490888863	CSYQBFCOSJRQJE-UHFFFAOYSA-N	303.359	1.411	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@@H]1C[C@H]1CC(C)C	824044484	QORNVPHKMLEOLO-CHWSQXEVSA-N	319.405	1.937	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(F)c(C(F)(F)F)c(F)c1	823927927	IXOXQRGLSVEYSZ-ZCFIWIBFSA-N	312.238	1.941	50	20	DDGD	
COC(=O)N(C)NC(=O)CCN(C(=O)OC(C)(C)C)C(C)C	495693442	OGFUMFQTSWRKCY-UHFFFAOYSA-N	317.386	1.751	50	20	DDGD	
N#C/C(=C/c1ccc(-c2nn[nH]n2)o1)C(=O)Nc1nccs1	822796304	PMYFSPMCMJBQOE-ALCCZGGFSA-N	313.302	1.462	50	20	DDGD	
C[C@H](OCCc1ccccc1)C(=O)NNC(=O)c1ccc[nH]1	822230155	WSDSNUMPVUZIQO-LBPRGKRZSA-N	301.346	1.424	50	20	DDGD	
Cc1nc(CC(C)C)oc1C(=O)Nc1cccc(B(O)O)c1	584911898	AMQZYMPBZZHUTI-UHFFFAOYSA-N	302.139	1.114	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)[C@H]2C[C@@H](O)C2)c1	822765164	WPGWLKBFTRHNNJ-OCAPTIKFSA-N	313.741	1.272	50	20	DDGD	
CCOCCONC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	490909995	PLXVLAWDVUIJBR-QPEQYQDCSA-N	302.334	1.196	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)CCNC2=O	824315896	CGFIUSWDDAWTDM-VIFPVBQESA-N	304.350	1.171	50	20	DDGD	
CCO[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	827149687	RRCNRLUGVUZENK-WUHRBBMRSA-N	313.398	1.090	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@]2(C)CC=CCC2)cc1	822221994	PRAUGTGLKDNZFC-QGZVFWFLSA-N	315.373	1.827	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C[C@H](C)OC)cc1F	822645106	PMFACUXHIKTTBS-QMMMGPOBSA-N	315.370	1.577	50	20	DDGD	
CC[C@@H](NC(=O)c1ccc(B(O)O)cc1)[C@H](C)c1ccccc1	584956724	HCHUYMUEQYUBDV-CXAGYDPISA-N	311.190	1.679	50	20	DDGD	
C[C@@]1(C(=O)NCc2nnc3n2CCCC3)C[C@H]1Br	906238463	DYGBHBRKXHANPV-PRHODGIISA-N	313.199	1.404	50	20	DDGD	
Cc1ccccc1C1CCN(CC(=O)NNC(=O)C(C)C)CC1	827767184	RHXVIIOFYBTTBY-UHFFFAOYSA-N	317.433	1.978	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(NC(=O)C(C)(C)C)nc1	822799928	MNNVOOLSSBJMQE-UHFFFAOYSA-N	321.381	1.420	50	20	DDGD	
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NN=c1cc[nH]cc1Cl	907408726	UAXOPZDMDWEIIP-VHSXEESVSA-N	311.769	1.579	50	20	DDGD	
CCOCCN1CCN(C(=O)[C@@]2(C)C[C@H]2Br)CC1	906641925	YTKQXISIOGAJFI-YPMHNXCESA-N	319.243	1.341	50	20	DDGD	
C[C@@H](c1ccccc1)[C@@H](C)NCc1ccc(B(O)O)cc1F	585025812	DHVMGAMKSHGHFJ-CHWSQXEVSA-N	301.170	1.787	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(F)cc2ccoc12	909551599	FRAPVJSNZLCSEK-MRVPVSSYSA-N	322.292	1.675	50	20	DDGD	
C=CC[C@H](C)NC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836307760	AEWIIJGXWWWWPZ-VIFPVBQESA-N	306.322	1.716	50	20	DDGD	
O=C(N[C@@H]1C[C@H]2CCCc3cccc1c32)c1cccc(B(O)O)c1	584969587	OCIBFEINHSSYHP-CXAGYDPISA-N	321.185	1.661	50	20	DDGD	
CC1=C(C(=O)NNc2ccc(C(C)C)cc2)S(=O)(=O)CCO1	837053581	GJIFRRNFTUFJGX-UHFFFAOYSA-N	324.402	1.930	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N(C)Cc2cn[nH]c2)cc(C#N)n1C	733982783	GLAIEMVTORUYDA-LNKIKWGQSA-N	308.345	1.494	50	20	DDGD	
COCCN(CC(=O)O)C(=O)[C@@H](Br)C(C)(C)C	836713262	IIPLYNWVWXOSTO-SECBINFHSA-N	310.188	1.356	50	20	DDGD	
CC(C)[C@H]1OCCC[C@@H]1CNCc1ccc(B(O)O)cc1F	585025747	BMEQKGJBIMNLTG-CZUORRHYSA-N	309.190	1.046	50	20	DDGD	
Cc1cc(C#N)cc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	831855579	WZMZHMKCKZLIAJ-ZWNOBZJWSA-N	302.334	1.444	50	20	DDGD	
CCOC(=O)[C@H](Cc1ccccc1)NNC(=O)C1CCOCC1	905816691	RAJFCTGWLJBZCR-HNNXBMFYSA-N	320.389	1.208	50	20	DDGD	
CC[C@](C)(CNC(=O)NNC(=O)CCOc1ccccc1)OC	836262780	DNOIILWMHWKZSH-MRXNPFEDSA-N	323.393	1.601	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=C1CCc2cccc(O)c21	834970453	KVXRIIPOPCBZMH-UHFFFAOYSA-N	319.361	1.683	50	20	DDGD	
Cc1ncc2c(n1)CC[C@H](NC(=O)[C@]1(C)C[C@H]1Br)C2	905920490	CDGSSGAVWBTOGT-ZKYQVNSYSA-N	324.222	1.932	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1sccc1SC	730531827	BZDUIOYPZLJAMM-UHFFFAOYSA-N	303.409	1.451	50	20	DDGD	
CCCNC(=O)NN=Cc1ccc(OC)cc1OCC(=O)O	734365684	PTERJTKUNXJGIV-UHFFFAOYSA-N	309.322	1.202	50	20	DDGD	
Cc1ccc2c(c1)C(=NNC(=O)[C@@H](C)CN1CCOCC1)CC2	730947410	QEROEZBYMBMECL-AWEZNQCLSA-N	315.417	1.730	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2ccc(C#N)cc2)C[C@H]1Br	906458958	IBLISCJHMBODLL-ZWNOBZJWSA-N	322.162	1.493	50	20	DDGD	
C[C@@H](CC(C)(C)c1ccccc1)NCc1ccc(B(O)O)o1	585021054	OHFFISXQRNRZGP-ZDUSSCGKSA-N	301.195	1.805	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1)c1ccncn1	834935860	XNCLNYAKLPCAGB-UPJWGTAASA-N	319.409	1.062	50	20	DDGD	
CS[C@@H](C(=O)NNC(=O)c1c[nH]nc1C)c1ccccc1	739724142	LRYQAYSSHJIAMN-GFCCVEGCSA-N	304.375	1.583	50	20	DDGD	
CC(F)(F)CNC(=O)NNC(=O)Cc1ccc(Cl)cc1	836481962	QERWRHVGLPJJQF-UHFFFAOYSA-N	305.712	1.868	50	20	DDGD	
COC(=O)c1ccc(CCC(=O)NNC(=O)c2ccc[nH]2)cc1	731598064	LFRVQSOVUOHRTF-UHFFFAOYSA-N	315.329	1.195	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2cc[n+]([O-])cc2)c(C)c1	913428667	GTLBCJCVIZFAQZ-UHFFFAOYSA-N	316.386	1.568	50	20	DDGD	
C[C@@H](OCC1CC1)C(=O)NNc1cc(O)nc2ncccc12	913994799	UTOSLIMPOKRQEL-SECBINFHSA-N	302.334	1.594	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)Cc1nc2ccccc2n1C	916312915	AJQDUENUHXLNAL-UHFFFAOYSA-N	324.388	1.616	50	20	DDGD	
O=C(NN=C/C=C/c1ccc(F)cc1)C(=O)Nc1ccccn1	747765669	HOPVPPJCMVMLGE-KMMPQYOHSA-N	312.304	1.975	50	20	DDGD	
CN(C)CCCNC(=O)NNC(=O)c1cc2ccccc2o1	749543728	IVTUFTUJCUWIIG-UHFFFAOYSA-N	304.350	1.329	50	20	DDGD	
O=C(NNC(=O)C1CCN([C@H]2CCSC2)CC1)C1CCC1	847481221	GGRNYIJASLBPCG-ZDUSSCGKSA-N	311.451	1.151	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(F)cc(Cl)c1	843654590	SBXAGWUFSOTSPR-HQJQHLMTSA-N	300.717	1.665	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cn(-c2ccccc2CC)nn1	840290500	DTUNFBJERNWUDF-UHFFFAOYSA-N	316.365	1.184	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)[C@@H]1C[C@H]1C1CCC1	845083626	BJHDPQBBTIMYLR-UONOGXRCSA-N	306.337	1.788	50	20	DDGD	
CCC(C)(C)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1	744929525	OMPDSCCPEDNSOM-UHFFFAOYSA-N	317.345	1.299	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C1CCOc2c(F)ccc(F)c21	842560352	GBCUWGWTJWYZML-IUCAKERBSA-N	310.300	1.993	50	20	DDGD	
CCN(CC)CCC(=O)NN=C(C)c1ccc(OC)cc1O	916354473	FHBFVQIJVSTWMN-UHFFFAOYSA-N	307.394	1.973	50	20	DDGD	
C/C(=C/C(=O)NNc1ccccc1S(N)(=O)=O)C(C)(C)C	842261477	LDHKSLIGQQLCHF-KTKRTIGZSA-N	311.407	1.770	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCCc2c(O)cccc21	843972156	SXHKIYMIRQJQMA-MJVIPROJSA-N	318.373	1.385	50	20	DDGD	
COCc1cc(C(=O)NNc2oc(C(C)C)nc2C#N)no1	742594729	BHOTWAYWBXYUEK-UHFFFAOYSA-N	305.294	1.561	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1ncc(C(C)(C)C)o1	843655753	KYYMJLMCAIGGLH-QWRGUYRKSA-N	323.393	1.477	50	20	DDGD	
C[C@@H](COc1ccccc1)NC(=O)NNC(=O)c1ccc[nH]1	918086982	CLJLJVQHSXMVKA-NSHDSACASA-N	302.334	1.426	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@]2(Cl)C[C@H]3CC[C@H]2O3)n1	910944731	QGLJWQORIFUWNQ-DNSOKLHBSA-N	317.176	1.810	50	20	DDGD	
C[C@@H](Cc1ccc(C#N)cc1)C(=O)NNC(=O)CC(F)(F)F	848371505	XEHSJWNJHJZEMH-VIFPVBQESA-N	313.279	1.837	50	20	DDGD	
C[C@@H]1CCCCCC1=NNC(=O)N[C@H]1CCS(=O)(=O)C1	844579045	QIDLENWDCQLDCN-MNOVXSKESA-N	301.412	1.429	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCC(C)(F)F)cc1OC	915685462	DEIZISXVFVTOIR-UHFFFAOYSA-N	316.304	1.900	50	20	DDGD	
CCCC[C@@H](CN)NC(=O)NNC(=O)CCc1ccccc1	841957492	KPQZZZXEVDQCKE-AWEZNQCLSA-N	306.410	1.467	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)[C@H]2Cc3ccccc32)cc1	742033451	OPKLKJZQQFUFIW-INIZCTEOSA-N	321.336	1.424	50	20	DDGD	
NC[C@@H](NC(=O)NNC(=O)c1ccccc1)C1CCCCC1	841940228	POKDIBNHQRTRIH-CQSZACIVSA-N	304.394	1.538	50	20	DDGD	
CC(=O)c1ccc(NC(=S)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	843276666	GDXAVWYMUFPFQN-MFKMUULPSA-N	321.402	1.632	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)[C@@H]2CCO[C@H]2C)cc1OC	842556067	QGGIFOLEDHQFOP-WCQYABFASA-N	306.362	1.969	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@H]2CS[C@H](C)C2)cc1	840413260	GAAMCWQODLDRTG-MWLCHTKSSA-N	324.406	1.925	50	20	DDGD	
CC(C)CCN(C)CC(=O)NNC(=O)c1ccc(C#N)cc1	744389063	HNZDOUGTDZLVKJ-UHFFFAOYSA-N	302.378	1.297	50	20	DDGD	
O=C(NC[C@H]1CCCN1)[C@@]12CC[C@@H](C[C@H]1Br)C2	846665584	MVQICHNPTLGEQD-SBFPOUOMSA-N	301.228	1.808	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cc3c(cc2O)OCO3)n1	748339095	OTCSTXATQVGJIJ-UHFFFAOYSA-N	322.708	1.630	50	20	DDGD	
CC(=O)NNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C	929182750	PXIXLYWYFUIWGC-JTQLQIEISA-N	301.387	1.483	50	20	DDGD	
COC(=O)c1nccnc1NC[C@@]1(C)C[C@@H]1Br	856788492	YPHZNJAYLQXTAT-WRWORJQWSA-N	300.156	1.849	50	20	DDGD	
CNC(=O)NNC(=O)C1(c2c(Cl)cccc2Cl)CC1	759163695	MXMHIFXCOKRJDC-UHFFFAOYSA-N	302.161	1.985	50	20	DDGD	
N#CSCCCNC(=O)COCCNC(=O)c1ccccc1	854360859	DWXZJMMTHPLXIQ-UHFFFAOYSA-N	321.402	1.154	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2nn(C)cc2C)c1C	855623369	BZEKGPTYZXNPPI-UHFFFAOYSA-N	302.334	1.580	50	20	DDGD	
Cc1ccccc1C[C@H](C)C(=O)NNC(=O)Cc1ccncc1	859830098	YTPCWBWMCGXLGO-AWEZNQCLSA-N	311.385	1.959	50	20	DDGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cn(CC(=O)O)nn1	759077694	VMXVYFJYZSIWRM-WTKPLQERSA-N	302.315	1.523	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cccc2[nH]ncc12)C1CC1	855103353	QVZDIVCSPCQUDR-MRVPVSSYSA-N	303.391	1.470	50	20	DDGD	
CC(C)[C@H](C=NNC(=O)c1cc[nH]n1)CNC(=O)OC(C)(C)C	853392320	LSEYCKLENJYFDG-NSHDSACASA-N	323.397	1.922	50	20	DDGD	
CN1C(=O)CCC[C@H]1C(=O)OC[C@@H](CBr)C1CC1	922993325	HYJIAAJIJDYNRW-MNOVXSKESA-N	318.211	1.962	50	20	DDGD	
CCn1cnnc1CCNC(=O)/C(C#N)=C\c1ccc(F)cc1	752092712	MEZYFLUCYHZNIQ-LCYFTJDESA-N	313.336	1.703	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNc1ncccc1[N+](=O)[O-]	759301786	COFKICZNQUTVQQ-OUAUKWLOSA-N	307.354	1.694	50	20	DDGD	
CCN(CC)c1ccc(C(=O)NNC(=O)[C@@H]2CCOC2)cc1	921203221	UVWWFKXXAZHKAO-CYBMUJFWSA-N	305.378	1.330	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1Cc2ccc(O)cc2C1	859477015	DONMQIZNDKPNKS-LLVKDONJSA-N	305.378	1.290	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCC2(CCOCC2)CC1	751521908	QYQMWQIFZQRSGV-UHFFFAOYSA-N	307.394	1.452	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1cccc(Cl)n1)c1cnn(C)c1	857324032	AKRSWANQFGCJHF-SECBINFHSA-N	321.768	1.423	50	20	DDGD	
CCCc1cc(C(=O)NNc2nc(C)cc(C)n2)cc(O)n1	929715742	MRDBVLDBGSASDT-UHFFFAOYSA-N	301.350	1.903	50	20	DDGD	
Cc1nn(C(C)(C)C)cc1C(=O)NNC(=O)c1cccc(F)n1	856422745	CQYZQJCDMNCYSQ-UHFFFAOYSA-N	319.340	1.555	50	20	DDGD	
NC1(CNC(=O)NNC(=O)CCc2ccccc2)CCCC1	851671312	KWPSRESVVPCHRB-UHFFFAOYSA-N	304.394	1.221	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCCC[C@@H]1[C@@H](C)CO	852426356	PJRWTYPKYHQNRG-MELADBBJSA-N	313.442	1.051	50	20	DDGD	
CC(C)(CCC(=O)NNC(=O)c1cc[nH]n1)c1ccccc1	855357547	LILKVTPJUMAUTB-UHFFFAOYSA-N	300.362	1.929	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@@H](c1cncn1C)N(C)C	855370057	LVOYLFVDCPCCQD-CQSZACIVSA-N	305.357	1.614	50	20	DDGD	
CCO[C@@H]1COC[C@H]1NC(=O)NNc1cc(F)ccc1F	922776429	VZVQWHMDMRSMDI-VXGBXAGGSA-N	301.293	1.395	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1cccc(N)c1	853390014	IDKQTUUELVMMIA-ZBFHGGJFSA-N	316.405	1.362	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1ccc(Cl)cc1OC	921020000	GMMBSRDJYBLUJY-UHFFFAOYSA-N	321.786	1.251	50	20	DDGD	
CN(C)[C@@H]1CCCN(C(=O)NC[C@]2(C)C[C@H]2Br)C1	856956724	TYWXVKXWQDMXQS-WZRBSPASSA-N	318.259	1.896	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1c(C)noc1C1CC1	752731285	UFVMIERCSPZRMT-UHFFFAOYSA-N	314.436	1.332	50	20	DDGD	
Cc1nc(C(C)C)oc1C(=O)NNC(=O)c1cccc(F)n1	856427434	XNQLAAAPVVVMNR-UHFFFAOYSA-N	306.297	1.715	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(O[C@@H](C)COC)cc1	853295748	RRMTUJCYEDFQEI-ZDUSSCGKSA-N	323.393	1.770	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc(C#N)ccc1F	854285623	FJBHYGOLUVTGHW-UHFFFAOYSA-N	324.381	1.185	50	20	DDGD	
CO[C@@]1(C)C[C@H]1NC(=O)NNC(=O)CCCc1ccccc1	852053413	WXPLKAXSPNQMBA-CJNGLKHVSA-N	305.378	1.517	50	20	DDGD	
CC(C)C(C)(C)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855832956	FIHDAZZFWBFEBC-UHFFFAOYSA-N	313.442	1.759	50	20	DDGD	
CC1CCN(C[C@H](C)C(=O)NN=C2CCCn3nccc32)CC1	853278772	HPCMKCZSCVEIIZ-AWEZNQCLSA-N	317.437	1.865	50	20	DDGD	
COCCN(C)NC(=O)c1sc(Br)nc1C	854413167	OAIYALDUCKEUHE-UHFFFAOYSA-N	308.201	1.437	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1cccc(Cl)c1O	753165358	CKLSRGVFPVDLMQ-UHFFFAOYSA-N	321.720	1.519	50	20	DDGD	
Cn1c(=NNC(=O)CC[C@H]2CCOC2)sc2ccccc21	751210208	PRMVSEGBWCQWPQ-NSHDSACASA-N	305.403	1.988	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)Cn2ccc3ccccc32)O1	756931857	RMJHZIGTPBPFSG-HIFRSBDPSA-N	315.373	1.746	50	20	DDGD	
C[C@]1(CNC(=O)NCCC[C@@H]2CCCN2)C[C@H]1Br	857106529	QVXOEGBLFSRXQG-DMDPSCGWSA-N	318.259	1.991	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccc(Cl)c(F)c1	755925948	BZHNCPHXOSWWEZ-UHFFFAOYSA-N	311.704	1.977	50	20	DDGD	
CCc1ccc(C(C)=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)o1	752163722	CICNIBYAHHPWBE-SNVBAGLBSA-N	313.379	1.052	50	20	DDGD	
C[C@H](NNC(=O)c1ccc2c(c1)CCC(=O)N2)C(F)(F)F	862306597	MNYYIKULGLYFTH-ZETCQYMHSA-N	301.268	1.757	50	20	DDGD	
Cc1cccc(C)c1CN(C)CC(=O)NNC(=O)C(C)(C)C	933766905	OZMDXGBCZNULDD-UHFFFAOYSA-N	305.422	1.929	50	20	DDGD	
COC(=O)NNC(=O)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C	863853830	DXKUGZKVKMQRKO-SNVBAGLBSA-N	317.386	1.703	50	20	DDGD	
Cc1cc(C(=O)NN[C@H](C)C(F)(F)F)n(C2CCOCC2)n1	862321720	CPRNGQAXFPTARO-SECBINFHSA-N	320.315	1.728	50	20	DDGD	
Cn1ccnc(NNC(=O)c2ccc(-c3ccco3)s2)c1=O	768203839	TYYUFQZPHINXII-UHFFFAOYSA-N	316.342	1.859	50	20	DDGD	
Cc1cccc(NNC(=O)C(=O)Nc2nc(C3CC3)cs2)n1	861959409	DHTDNJGIGGHSKO-UHFFFAOYSA-N	317.374	1.806	50	20	DDGD	
CCN(CCO)c1ccc(C=NNC(=O)c2cn[nH]c2)c(C)c1	863156241	RQKNRMAREJHCSY-UHFFFAOYSA-N	315.377	1.301	50	20	DDGD	
COCc1nc(C(=O)NNC(=O)c2cc(C)cs2)cs1	862477846	OTDDRANHTKJHKI-UHFFFAOYSA-N	311.388	1.734	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NNC(=O)CCc1ccccc1	862993558	OSRHXWMYPKFNLO-CQSZACIVSA-N	303.406	1.639	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNc2ncnc3[nH]cnc23)ccn1	760126002	VRTUUDOOUMGPML-UHFFFAOYSA-N	313.321	1.292	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cccnc1Br	865213703	FZEREKJQUHVKJE-JXMROGBWSA-N	310.151	1.514	50	20	DDGD	
Cc1cccc2sc(NNC(=O)NC[C@@H]3COCCO3)nc12	868119892	FDSBXZLWKJRONU-SNVBAGLBSA-N	322.390	1.646	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2ccccc2N2CCCCC2)N1	863146124	PJRKKNYQWXWYOZ-AWEZNQCLSA-N	314.389	1.406	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1SCC	764881374	QJRLFLRHQQNABJ-UHFFFAOYSA-N	312.351	1.671	50	20	DDGD	
COC(=O)C(=O)NNC(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C	1116186680	FDEHQRCQRISZQP-MNOVXSKESA-N	313.398	1.342	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(Cl)nc2)o1	764371368	NVVMTLKNIIQQHU-UHFFFAOYSA-N	322.708	1.036	50	20	DDGD	
CC1(C)C[C@@H]1CNC(=O)NNC(=O)CSc1ccccc1O	763507213	PIMYXOFKZVPDEQ-SNVBAGLBSA-N	323.418	1.861	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@@H]2CCCN(CC(C)C)C2)cc[nH]1	875402621	GVLCUIBHZXUGRA-HNNXBMFYSA-N	319.453	1.806	50	20	DDGD	
CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)CCl	1116434657	ZNOBFINSXBSCPB-UHFFFAOYSA-N	318.826	1.618	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@H]2CCCO[C@@H]2C(C)C)cc[nH]1	875348675	OXOJEFDTDCGRJN-UKRRQHHQSA-N	306.410	1.889	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(S(C)(=O)=O)c1)C1CCC1	776624995	HQCYXDGKNVEKMX-JTQLQIEISA-N	311.407	1.905	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](F)Cc1ccccc1	772242494	SVMVNKGFLSHIGM-ZYHUDNBSSA-N	310.325	1.056	50	20	DDGD	
O=C(NNc1ccccn1)c1nc(N2CCCC2)ncc1Cl	777472391	FXPUTCDGYXOVJP-UHFFFAOYSA-N	318.768	1.882	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccc2c(c1)OCO2)c1ccccc1	771854515	TVNZVUYAIBCXPQ-LLVKDONJSA-N	312.325	1.980	50	20	DDGD	
Cc1ccncc1CCC=NNC(=O)CNC(=O)c1ccco1	776729948	PHJKCYRKPSVVAK-UHFFFAOYSA-N	314.345	1.448	50	20	DDGD	
CC(C)(C)C(=O)Nc1nccnc1C(=O)NNc1cnccn1	775280014	BQKSPSNOJQOPOG-UHFFFAOYSA-N	315.337	1.008	50	20	DDGD	
O=C(NCCOC1CCCCC1)NNC(=O)C1CCOCC1	883173235	GFUPPHSEVSJEII-UHFFFAOYSA-N	313.398	1.093	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NC[C@H](C)S(C)(=O)=O	771341592	BQLBMOLDGKUXKW-VIFPVBQESA-N	303.359	1.193	50	20	DDGD	
Cc1nc(C(C)C)nc(O)c1C(=O)NNC(=O)c1ccncc1	884054301	YVDPIZGZPXGUIJ-UHFFFAOYSA-N	315.333	1.084	50	20	DDGD	
CCOC(=O)[C@H]1CCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)C1	884734721	HPPSHHMUSBLHTJ-FYQHACEVSA-N	314.341	1.711	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)C1CCOCC1	883064316	XWUIWSPZHOQXPN-DGCLKSJQSA-N	324.327	1.642	50	20	DDGD	
CCOCCC=NNC(=O)c1nn(-c2ccccc2)cc1O	788420899	NHGOHBWVBRRBGV-UHFFFAOYSA-N	302.334	1.720	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2C[C@H](OC)C2(C)C)c1	780839671	FREOOLRCTSMLQO-STQMWFEESA-N	321.377	1.913	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)C2CCOCC2)c1CC	883069034	RQZZMRVFDCHGFL-UHFFFAOYSA-N	322.409	1.433	50	20	DDGD	
O=C(C[C@H]1OC(=O)c2ccccc21)NNc1ncncc1Cl	781830166	QTARJNTYJSPKJS-LLVKDONJSA-N	318.720	1.875	50	20	DDGD	
COC(=O)COc1ccc(C=NNC(=O)c2cccn2C)cc1	782225516	SSTXODMUAHMPEA-UHFFFAOYSA-N	315.329	1.341	50	20	DDGD	
O=[N+]([O-])c1ccccc1CCNS(=O)(=O)CCCCl	881943154	RJCLZHJEWNZTOT-UHFFFAOYSA-N	306.771	1.686	50	20	DDGD	
Cc1cccc([C@H](C)NC(=O)NNC(=O)c2cccnn2)c1C	883421617	QSHCSMMVKXKOLN-LBPRGKRZSA-N	313.361	1.799	50	20	DDGD	
CC(C)(CN1CCOCC1)C(=O)NNc1cc(F)ccc1F	885139805	IIPSHXGLBINBCV-UHFFFAOYSA-N	313.348	1.766	50	20	DDGD	
N#CCCNC(=O)NNC(=O)c1ccc(Cl)cc1Cl	787350705	AVUHLVRLTDAHQL-UHFFFAOYSA-N	301.133	1.851	50	20	DDGD	
C[C@H](CN(C)CC(=O)NNC(=O)C(C)(C)C)c1nccs1	784580338	POCGXNBPEZITGU-SNVBAGLBSA-N	312.439	1.372	50	20	DDGD	
COc1ncc(C(C)=NNC(=O)N2CCOCC2)cc1Cl	789000477	MYWFFPJABHIOKC-UHFFFAOYSA-N	312.757	1.509	50	20	DDGD	
COc1ccc(Br)cc1C=NNC(=O)C(C)(C)O	785458337	WQNLLSAUJFZFRQ-UHFFFAOYSA-N	315.167	1.679	50	20	DDGD	
COc1cccc(NNC(=O)c2c(OC)cccc2OC)n1	780770227	NAXWRJGOLWHMRB-UHFFFAOYSA-N	303.318	1.864	50	20	DDGD	
CN(C)[C@H](C(=O)NNc1ncncc1Cl)c1ccccc1	781830443	UODIYBPURLBYID-LBPRGKRZSA-N	305.769	1.876	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@@H]1[C@H]2CCCO[C@H]21	780473597	BLIDHRVLEUJDJN-IJLUTSLNSA-N	300.318	1.605	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)CO1	784143083	BUNYWVRIMOHQRP-ZYHUDNBSSA-N	314.345	1.263	50	20	DDGD	
CC(=O)N1CC(C(=O)NNc2cc(Cl)ccc2Cl)C1	788512123	ATQNWGIMZXLOGL-UHFFFAOYSA-N	302.161	1.915	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H]1COc2cc(F)cc(F)c21	784574662	GNVXIBQPUXJMIX-SNVBAGLBSA-N	313.304	1.775	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@@H](O)Cc1ccccc1	793469406	TZHBWMRRIGUSIO-HNNXBMFYSA-N	316.332	1.119	50	20	DDGD	
CC(=O)N1CCC[C@@H](CNS(=O)(=O)CCCCCl)C1	795263206	FCXYYHINFMXXRF-LBPRGKRZSA-N	310.847	1.183	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc(-n3ccnc3)nc2)n1	794077933	STTJJNMQQKSVHP-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C[C@](C)(O)c2ccccc2)n1	794081677	OJMZIXVNFOMYDR-KRWDZBQOSA-N	313.357	1.449	50	20	DDGD	
COc1cc(C(F)(F)F)ncc1NC(=O)NNC(=O)C1CC1	792508883	AVIIWZTVYDUZNJ-UHFFFAOYSA-N	318.255	1.672	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1cc2n(n1)CCCC2=O	893802230	TTWKADQVBJCQJY-UHFFFAOYSA-N	304.350	1.201	50	20	DDGD	
C#CCCCC(=O)NNC(=S)N[C@H](C)Cc1ccccc1	899620695	QNOMRIOQYYBFMP-CYBMUJFWSA-N	303.431	1.916	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ccnc(N(C)C)n1)c1cccnc1	798110601	JFKKGSJIUHKGHZ-AWEZNQCLSA-N	314.393	1.821	50	20	DDGD	
O=C(Cc1cccc(C(F)F)c1)NNc1ncnc2[nH]cnc12	790749933	BHGXAQUZOBNFDS-UHFFFAOYSA-N	318.287	1.976	50	20	DDGD	
CCc1ccccc1OCCC(=O)NNC(=O)c1cnn(C)c1	796531502	ZOSDRVKKFRVUDU-UHFFFAOYSA-N	316.361	1.213	50	20	DDGD	
O=C(Cc1csc2nccn12)NNc1nc2ccccn2n1	791261652	KAFOSXRTKACCOT-UHFFFAOYSA-N	313.346	1.124	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21)C(=O)N1CCCC1	795871381	CPTAJCPAVNXWDH-MELADBBJSA-N	321.421	1.363	50	20	DDGD	
CC[C@@H]1C[C@H]1NC(=O)NNC(=O)c1cc(Br)c[nH]1	798048551	FVLAHAXJIJLIFH-HTRCEHHLSA-N	315.171	1.520	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cccc(Cl)n1	793080004	XVXMRFKUDWIWIJ-UHFFFAOYSA-N	305.812	1.801	50	20	DDGD	
CSSCCNC(=O)N1CCC[C@@H](S(C)(=O)=O)C1	790880764	YOLFBIULPNKHET-SECBINFHSA-N	312.482	1.216	50	20	DDGD	
C[C@@H]1CC[C@@H](CNC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	793465331	UFRYHOAXEPACGH-GHMZBOCLSA-N	320.349	1.975	50	20	DDGD	
CC(C)(C)n1ncc2c(O)nc(NNC(=O)c3cocn3)nc21	1319293290	UXEBYMMCOVFYSJ-UHFFFAOYSA-N	317.309	1.032	50	20	DDGD	
Cn1ccc(NNC(=O)[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)n1	1325385933	NIGIJLWRAFJEFJ-HNNXBMFYSA-N	323.397	1.510	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2cnccc2C#N)c1	1327665158	BVLHJLWNDUZRRP-UHFFFAOYSA-N	316.342	1.114	50	20	DDGD	
CO[C@H]1CCN(C(=O)NNC(=O)c2cc(C)cs2)[C@@H](C)C1	1329192298	FHYRJDYCOYRBTG-QWRGUYRKSA-N	311.407	1.910	50	20	DDGD	
COc1cc(F)cc(F)c1S(=O)(=O)NNC(=O)C1CCC1	1328790722	QYAVMXKMAVDAGT-UHFFFAOYSA-N	320.317	1.083	50	20	DDGD	
O=C(NN=C1CCOc2c(F)cc(F)cc21)C1CCOCC1	1330902494	HNOJPUSGPYHYMO-UHFFFAOYSA-N	310.300	1.994	50	20	DDGD	
C=C[C@@H](COC)NC(=O)NNC(=O)C(C)(C)c1ccccc1	1255014247	WMKPFPAKHPUPJP-ZDUSSCGKSA-N	305.378	1.496	50	20	DDGD	
COC(=O)C(=O)NN=C[C@@H](CNC(=O)OC(C)(C)C)C(C)C	1256376741	NVUCBNAKMKRXRQ-SNVBAGLBSA-N	315.370	1.058	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NNC(=S)NC(C)C	1335957098	ZSXOEJIPOGAICF-UHFFFAOYSA-N	310.379	1.729	50	20	DDGD	
CC(C)(C)OC(=O)N1CC2CC1(C(=O)NNc1ccncn1)C2	1336505283	LQISWWDGVOGWCS-UHFFFAOYSA-N	319.365	1.319	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@@H]1C[C@H]1c1ccncc1	1348579537	APDMJPGUTVSKEA-QWHCGFSZSA-N	300.318	1.309	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cc(=NCc2ccccc2)cc[nH]1	1347189110	MNJUTIWPZUHBOK-UHFFFAOYSA-N	310.357	1.287	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)C1CCC(Cl)CC1	1520152350	GPNMLICSHCVXLQ-UHFFFAOYSA-N	301.696	1.677	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2ccc(F)c(C(=O)O)c2)CCO1	1604676131	KFXPIDGABKBFIC-BDAKNGLRSA-N	311.313	1.718	50	20	DDGD	
Cc1csc(C(=O)NN=C2CCN(CCC(=O)O)CC2)c1	1600648804	XZZRBGZITWBICQ-UHFFFAOYSA-N	309.391	1.713	50	20	DDGD	
O=C(CCCCc1cnn[nH]1)NNc1ccccc1C(=O)O	1608302352	AKNZEUYTHSYOFB-UHFFFAOYSA-N	303.322	1.359	50	20	DDGD	
O=C(CN1CCc2ccccc21)NNc1ccccc1C(=O)O	1601319953	KCIDBNLFPUEJRE-UHFFFAOYSA-N	311.341	1.891	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccc(C(=O)O)c(F)c2)n1	1607630196	WOWZWHBTHPUSJM-UHFFFAOYSA-N	318.308	1.488	50	20	DDGD	
O=C(O)C12CC(C(=O)NNc3ncnc4ccsc34)(C1)C2	1601728676	LZWQADVHSOREOW-UHFFFAOYSA-N	304.331	1.389	50	20	DDGD	
CCCCOCCNC(=O)NNc1cccc(-c2nn[nH]n2)c1	1604188446	RSCLYSWLUCTEGK-UHFFFAOYSA-N	319.369	1.310	50	20	DDGD	
O=C(O)Cc1cccc(NC(=O)NNc2ccnc(Cl)c2)n1	1602139723	KIRVTMNRRGCZIB-UHFFFAOYSA-N	321.724	1.906	50	20	DDGD	
CC(C)n1ncc(C(=O)NNc2ccc(F)c(C(=O)O)c2)c1N	1604043334	HFZPIAYUTATHEB-UHFFFAOYSA-N	321.312	1.640	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2cc(C(F)F)[nH]n2)cc1	1602129017	KHMWHKLNQRVBOG-UHFFFAOYSA-N	310.260	1.731	50	20	DDGD	
O=C(Cn1ncc2ccccc21)NNc1ccccc1C(=O)O	1610679141	RQDGFLYWHITMTQ-UHFFFAOYSA-N	310.313	1.878	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@H]1C(=O)NN=C1CCC(O)CC1	1549308653	DBNSKNMKDOSBRQ-IUZLNWEFSA-N	320.393	1.295	50	20	DDGD	
O=C(Cc1cccc(C(=O)O)c1)NNc1ccccc1[N+](=O)[O-]	1610674678	IHWWRKGWRZNXIA-UHFFFAOYSA-N	315.285	1.979	50	20	DDGD	
CC(C)(C)c1coc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)n1	1550354907	XOVVRGKBNVQJPW-NWDGAFQWSA-N	320.393	1.285	50	20	DDGD	
CN1CCN([C@@H]2CCN(C(=O)c3cccc(CCl)c3)C2)CC1	1550888751	KDLLVAPPYJIYSC-MRXNPFEDSA-N	321.852	1.887	50	20	DDGD	
O=C(O)C1=NO[C@@H](C(=O)NNc2c(Cl)cccc2Cl)C1	1574644400	UTOYGZARNYCRDX-MRVPVSSYSA-N	318.116	1.666	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CCCCCN1	1576295748	TWTYAJXJJPWJQE-AAEUAGOBSA-N	323.368	1.273	50	20	DDGD	
COC[C@H](N)C(=O)NNC(=S)Nc1ccccc1C(C)C	1579086878	JLHCPYAGLBVLMO-NSHDSACASA-N	310.423	1.101	50	20	DDGD	
CC[C@@H](C)C[C@H](N)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	1576984588	ZDXXTMOCVJQQDS-YGRLFVJLSA-N	323.393	1.228	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)CCOC)C1	1842771942	NLGNQSFAJHQCAT-LBPRGKRZSA-N	316.829	1.634	50	20	DDGD	
C=C[C@@H](NNC(=O)COc1ccc(Cl)cc1Cl)C(=O)O	1588700226	GCIGTEVNMMEKMM-SECBINFHSA-N	319.144	1.632	50	20	DDGD	
N[C@@H]1CC[C@H](CC(=O)NNC(=O)Nc2ccc3c(c2)OCO3)C1	1580387582	NRJAABQYKLDCPD-VHSXEESVSA-N	320.349	1.086	50	20	DDGD	
N#CCCCC[C@H](N)C(=O)NNC(=O)NCCc1cccs1	1580050986	VKVLRTKLLJECDP-LBPRGKRZSA-N	323.422	1.032	50	20	DDGD	
N#Cc1cccc(NNC(=O)NCC2(C(=O)O)CCOCC2)c1	1594628430	SFZLQKJDMDZXDF-UHFFFAOYSA-N	318.333	1.066	50	20	DDGD	
Cn1nc(C(=O)NNc2ncccc2C(=O)O)cc1C(F)F	1594562962	LAGPUKKJICQXQR-UHFFFAOYSA-N	311.248	1.208	50	20	DDGD	
C[C@H](CC=NNC(=O)[C@H]1OCC[C@H]1c1ccccc1)C(=O)O	1592469694	ACFIKOLBCCQJOE-XBFCOCLRSA-N	304.346	1.772	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C/c1ccc(-c2nn[nH]n2)s1	1590648986	FYLMIZFTNLTDTL-RMKNXTFCSA-N	309.376	1.617	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1cccc(-c2nn[nH]n2)c1	1593166917	CJLOIZBXTIYESG-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
O=C(O)[C@H](C(=O)NNc1ccc(OC(F)F)cc1)C1CC1	1594836594	ZADIISKUTAFQQP-JTQLQIEISA-N	300.261	1.842	50	20	DDGD	
N#C[C@]1(C(=O)NNc2cccc(-c3nn[nH]n3)c2)C[C@H]2CC[C@H]1C2	1592666103	ALWDCYBTYHXAKS-KNHMANMVSA-N	323.360	1.640	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl)[C@@H]1C[C@@H]1F	1796803278	VPGWELWMPHDWJK-AKKLPLMASA-N	306.740	1.517	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1cccc(C(=O)NCCOC)c1	13618177	VUWLLYPJGZITPS-QBFSEMIESA-N	317.345	1.445	50	20	DDGD	
COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)OC(C)(C)C)c1C	17398334	VZVKQWPQEKPPMP-UHFFFAOYSA-N	311.338	1.588	50	20	DDGD	
O=C(CCC1CCOCC1)NNC(=S)Nc1ccccn1	161724317	DMQBUHDAMNAASQ-UHFFFAOYSA-N	308.407	1.606	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccnn2CC2CC2)n1	160052417	DBZALUXOCUDWCZ-UHFFFAOYSA-N	303.326	1.240	50	20	DDGD	
CCOCCCC(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	151112047	CXPPADULXPMWNI-UHFFFAOYSA-N	322.390	1.716	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCc2c[nH]c3ccccc23)[nH]n1	153316339	TZRXTEDKKPAKNQ-UHFFFAOYSA-N	311.345	1.593	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2sc(N(C)C)nc2C)n1	154889355	PLNPYIYBFKCPGG-UHFFFAOYSA-N	322.394	1.381	50	20	DDGD	
CC(=O)NNC(=O)COc1ccc(Br)c(C)c1	512470	ZKJWALHPAKAWEB-UHFFFAOYSA-N	301.140	1.304	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	7475597	OZRIERGQJYPVSK-UHFFFAOYSA-N	313.313	1.907	50	20	DDGD	
N#Cc1ccc(C(=O)NN[C@@H](C(N)=O)c2ccc(F)cc2)cc1	171121523	ZHZJQNUDYKEVNG-CQSZACIVSA-N	312.304	1.158	50	20	DDGD	
O=C(NC[C@H](O)c1ccccc1F)NNC(=O)c1ccccc1	59313854	NJJOPODXAKHWDK-AWEZNQCLSA-N	317.320	1.503	50	20	DDGD	
CC(C)[C@H](CC(=O)NNC(=O)C(=O)NC1CC1)c1ccccc1	103064702	NUUVMLJPBNBNQK-AWEZNQCLSA-N	317.389	1.242	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cnn(-c2ccccc2)n1	178858001	ACIKUDJCPZZVFP-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCc2sccc2C1	109827941	XVROAQJRZTZXDT-NSHDSACASA-N	309.435	1.688	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1c[nH]nc1C)c1ccccc1	109858319	QDHCQABOEXSJGX-UHFFFAOYSA-N	301.350	1.006	50	20	DDGD	
O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)c1ccon1	103523237	BCQFCDQHAMLHNV-UHFFFAOYSA-N	317.273	1.428	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)CCC2CCC2)cc1	175029170	MEEQQWRIEKHXFR-UHFFFAOYSA-N	305.378	1.835	50	20	DDGD	
COC(=O)c1ccc(CCC(=O)NNc2cnccn2)cc1	114880428	SICCUSOLNAALNA-UHFFFAOYSA-N	300.318	1.339	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1cc(F)cc2nccnc12	173968026	ZELZXRMDKIQYPA-UHFFFAOYSA-N	324.279	1.192	50	20	DDGD	
CSc1nc(C(=O)NNc2cnccn2)c2ccccn12	114879580	YCLUGCBAZQBYMT-UHFFFAOYSA-N	300.347	1.603	50	20	DDGD	
Cc1cc(NNC(=O)c2cccc(OCC(F)F)n2)ncn1	179061127	LYRFFVQUQXSPMR-UHFFFAOYSA-N	309.276	1.581	50	20	DDGD	
N#CC(C#N)=CNC[C@@H](c1cccc(F)c1)N1CCOCC1	66306202	HBOJBJBCKFYZDX-INIZCTEOSA-N	300.337	1.720	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCc2cccs2)n1C	68456805	NAZIFCMALCQEIX-UHFFFAOYSA-N	306.391	1.582	50	20	DDGD	
Cc1ccccc1NCCC(=O)NNC(=O)NCc1ccco1	65176304	LVVAYMGSXFWKRU-UHFFFAOYSA-N	316.361	1.921	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H](C)c2cccnc2)n1	175195172	VWMRVUTUGYQUJP-SNVBAGLBSA-N	302.338	1.576	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@H](C)CSC)cc1	66766134	IABBNKTXIPHZLZ-LLVKDONJSA-N	310.419	1.774	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCCC(=O)NC2CC2)c1	1351331588	WBZVHJGCHDEXQD-UHFFFAOYSA-N	324.406	1.059	50	20	DDGD	
NC(=O)[C@H](NNC(=O)CCCc1ccccc1)c1ccccc1	69164242	IHJIIXDZERYZIN-QGZVFWFLSA-N	311.385	1.857	50	20	DDGD	
O=C(CCc1nc(-c2ccoc2)no1)NNC(=O)NCC1CC1	119856873	RTEXRFSMLQXKKQ-UHFFFAOYSA-N	319.321	1.003	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c(O)c1	26962361	LHWCFKIPGYEKSR-UHFFFAOYSA-N	314.297	1.504	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1cc(C#N)c[nH]1	175083760	JUXWMLLAINCAGH-UHFFFAOYSA-N	312.329	1.289	50	20	DDGD	
COCCn1cc(NC(=O)NNc2c(F)cccc2F)cn1	172420079	IQPAFGCSJSIMED-UHFFFAOYSA-N	311.292	1.956	50	20	DDGD	
CCc1ccccc1NC(=O)C(=O)NNC(=O)CC1CCCC1	125887443	CGRXDAFWJUQCJP-UHFFFAOYSA-N	317.389	1.915	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1ccc2c(c1)CCO2	66785466	FNHOCYPIYNTZPZ-UHFFFAOYSA-N	314.316	1.764	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccccc1C(F)(F)F	65206305	UFJSUNYOTMOTFS-UHFFFAOYSA-N	319.283	1.686	50	20	DDGD	
CCc1ccc(C(C)(C)C(=O)NNC(=O)Cc2cc[nH]n2)cc1	186120055	ANOFMVRIVBALLB-UHFFFAOYSA-N	314.389	1.640	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCSc2ccc(F)cc2)[nH]n1	79280060	IPKUDUNTLKWURR-UHFFFAOYSA-N	322.365	1.801	50	20	DDGD	
CCC(CC)n1nccc1C(=O)NNc1ncnc2nc[nH]c12	129115038	JGZGKDFFWMENIO-UHFFFAOYSA-N	314.353	1.667	50	20	DDGD	
C[C@H](NCC(=O)NNC(=O)c1ccc(F)cc1)c1ccccc1	126816252	NXIWOPJNSBABDS-LBPRGKRZSA-N	315.348	1.938	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1coc(C)c1	189061105	CDLFCDYLEPSTHW-UHFFFAOYSA-N	303.318	1.470	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNc1ccc(C(F)(F)F)cn1	186921878	WKCALIMYDPMKPQ-UHFFFAOYSA-N	320.271	1.678	50	20	DDGD	
Cc1cc(C#N)ccc1S(=O)(=O)NNC(=O)NC1CCCC1	76936696	HLWDCCFFLOJAPB-UHFFFAOYSA-N	322.390	1.302	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)COC(C)(C)C	181200861	HWQOYUHYOZUUTR-UHFFFAOYSA-N	314.769	1.925	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNc1nccnc1OC	186449167	FFMTWGMEWOJMDB-NEPJUHHUSA-N	308.382	1.914	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C(C)(C)c2cccc(Cl)c2)cn1	76353861	VIFXBXAZKFMGEI-UHFFFAOYSA-N	320.780	1.812	50	20	DDGD	
CC[C@H](CC1CCCC1)C(=O)NNC(=O)C(=O)N1CCCC1	72572052	OWLTUTXQUFUALF-CYBMUJFWSA-N	309.410	1.363	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)oc(=O)n2C	184891260	LSRQQELYLGPYAY-QMMMGPOBSA-N	306.322	1.330	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)[C@@H]3CCCO3)on2)cc1	43109054	JMEAEFJYJSLFTR-ZDUSSCGKSA-N	315.329	1.590	50	20	DDGD	
CC(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)C2CC2)cc1	42213370	YFLYDKPVQLWKPY-UHFFFAOYSA-N	310.375	1.040	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccc2c(c1)N(C)CC2	133438265	LVIYYMDYKLKPAD-UHFFFAOYSA-N	314.349	1.626	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CN(C)Cc1ccccc1	139606731	BBBQCYUFSADRQB-UHFFFAOYSA-N	311.385	1.888	50	20	DDGD	
Cc1cnn(-c2ccc(C(=O)NNC(=O)c3ccncc3)cc2)c1	192672661	NNDSZPWZSPGGLL-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)ccc1O)C(=O)c1ccccc1	194926522	ONBHPHPXTVBVAN-UHFFFAOYSA-N	318.716	1.690	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)CCn1ccccc1=O	132505277	KIPMVAYGXAWBAZ-UHFFFAOYSA-N	313.357	1.019	50	20	DDGD	
O=C(CSCc1ccccn1)NNC(=O)Cc1ccncc1	81028254	REUAAGYUIWIGAL-UHFFFAOYSA-N	316.386	1.100	50	20	DDGD	
CC(C)CC1(C(=O)NNC(=O)C(=O)N2CCCC2)CCCC1	130780049	ZHNVQBHKWVQRHU-UHFFFAOYSA-N	309.410	1.363	50	20	DDGD	
CC(C)Sc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1	48249631	WFITWXYSKBGOHM-UHFFFAOYSA-N	321.402	1.227	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)C1CCC(O)CC1	194267276	UGWIDHSHPNTVEF-UHFFFAOYSA-N	315.373	1.340	50	20	DDGD	
CNC(=O)NNC(=O)CCc1cccc(Br)c1	97714303	VESOWBSOBQHGNW-UHFFFAOYSA-N	300.156	1.342	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc(Cl)nn2)c(C(C)(C)C)n1	92245041	XJTNIEGPDMYAOX-UHFFFAOYSA-N	308.773	1.918	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCC(=O)NC(C)C)cc1	255551229	UOGXLEGGNAOPLO-ZROIWOOFSA-N	315.373	1.633	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccnnc2C)c1	269907521	JIZTXCIXQOTGNA-UHFFFAOYSA-N	314.345	1.242	50	20	DDGD	
Cn1ccnc(NNC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c1=O	267249943	UMIJCNHQXPBTMP-DTWKUNHWSA-N	318.299	1.592	50	20	DDGD	
CN1CCO[C@H](C(=O)NNc2ccnc3cc(Cl)ccc23)C1	267965929	FKBYKFMFPHGQJB-AWEZNQCLSA-N	320.780	1.662	50	20	DDGD	
O=C(NNc1cccc(F)n1)N[C@@H]1CCN(c2ccccn2)C1	367761372	QNEIPCNIVAEZLO-LLVKDONJSA-N	316.340	1.521	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@H]2C[C@]23CCOC3)c1	364087174	QDWNTOXYCKGKJS-BMIGLBTASA-N	323.393	1.878	50	20	DDGD	
Cc1ccccc1NNC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1	275577571	OWMNWSYPBMXHIN-DZGCQCFKSA-N	300.362	1.949	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)OCC(F)(F)F	270638022	NRMPRZWTCCRFNK-UHFFFAOYSA-N	324.280	1.804	50	20	DDGD	
CC1(C)C[C@@H](NC(=O)/C(C#N)=C\c2ccc(O)cc2)C(=O)O1	279649065	BGKGJLAVTAGZHK-LWMSPQMPSA-N	300.314	1.509	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C[C@](C)(O)C2CC2)cc1	270138235	QWQCSGCWVHULBA-INIZCTEOSA-N	306.362	1.072	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@H]1CCCCC(=O)N1)c1ccccc1	279098767	SWTZIULYZMVJKC-CYBMUJFWSA-N	317.389	1.170	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H]2C[C@]23CCOC3)c1	368092217	JNFVSJNLCUKXTR-YOEHRIQHSA-N	318.373	1.256	50	20	DDGD	
O=C(CCc1ccncc1)NNc1nc(-c2ccncc2)no1	364454824	QOLQEXZSWITUOT-UHFFFAOYSA-N	310.317	1.603	50	20	DDGD	
O=C(NNc1ccc(Cl)c(F)c1)[C@@H]1CCCCS1(=O)=O	275069859	PBZCRFXJQNKPQD-NSHDSACASA-N	320.773	1.890	50	20	DDGD	
CSC[C@H](C)NC(=O)NNc1cccc(S(C)(=O)=O)c1	271886028	AFFAUHXNDKHGSH-VIFPVBQESA-N	317.436	1.468	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@H]2CCCCN2C2CC2)nc1	277275591	AEWPYDPKEDYKGT-CYBMUJFWSA-N	319.409	1.733	50	20	DDGD	
CSCc1ccc(NC(=O)C(=O)NNC(=O)C2CCC2)cc1	274128624	VAEMMFLVWIGMQI-UHFFFAOYSA-N	321.402	1.436	50	20	DDGD	
O=C(NC[C@H]1CCCSC1)NNc1cncc(Cl)n1	288011610	PNJCSMXNFCYPEU-MRVPVSSYSA-N	301.803	1.899	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)C(=O)Nc1ccsc1	288143239	LQEPRMMAUDZNSS-UHFFFAOYSA-N	317.374	1.887	50	20	DDGD	
CC(=O)CSCC(=O)NNc1ccc(C(F)(F)F)cn1	280180532	JCCJCUHUNOMRGP-UHFFFAOYSA-N	307.297	1.866	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)COc1ccccc1F	282568543	FEQCHEXIEVBIHB-IMSIIYSGSA-N	310.325	1.165	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(C3CC3)no2)nc1	282102716	ZNXGWJFMIAXIHD-UHFFFAOYSA-N	302.290	1.491	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccc(Cl)nc1)C(F)(F)F	288811454	LKRLRGZSOUHATM-YFKPBYRVSA-N	310.663	1.630	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@H]1CCCN1C(=O)C(F)(F)F	804770231	VBQBIPJHYLPCQR-SSDOTTSWSA-N	320.246	1.217	50	20	DDGD	
CC[C@H](C)CONC(=O)NNC(=O)CCc1ccc(OC)cc1	291743912	JLYLPGRDUZUYOC-LBPRGKRZSA-N	323.393	1.936	50	20	DDGD	
CC[C@@H](C)[C@@H](CNC(=O)NNc1ccc(Cl)nn1)OC	297932767	VSYOUYKIFCAUQP-RKDXNWHRSA-N	301.778	1.817	50	20	DDGD	
CN(NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)C(=O)OC(C)(C)C	297760570	TUHAFNFSRJHQKX-LBPRGKRZSA-N	320.345	1.666	50	20	DDGD	
CC(C)OCc1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)cc1	295636300	SWNMMQUVTRABGT-HNNXBMFYSA-N	320.389	1.942	50	20	DDGD	
Cc1cc2c(cc1C)O[C@H](C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)C2	294339142	TYGBZRPVYWCCGA-WHOFXGATSA-N	318.373	1.322	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)c2[nH]nnc2C)c1	802113286	LERBRPBAPRSZTQ-UHFFFAOYSA-N	324.728	1.242	50	20	DDGD	
C[C@@H](Cc1ccc(O)cc1)NC(=O)NNC(=O)[C@@H]1CCCCO1	297469604	UPLYMJGVSQQHAY-FZMZJTMJSA-N	321.377	1.223	50	20	DDGD	
CC(C)c1cc(NC(=O)C(=O)NNc2cccc(F)n2)no1	807390911	UEAOCHKPSLRLAM-UHFFFAOYSA-N	307.285	1.414	50	20	DDGD	
O=C(NNc1ncccc1F)[C@H]1CC(=O)N(C2CCCCC2)C1	804219222	UEHFQYMOXUEEQI-NSHDSACASA-N	320.368	1.845	50	20	DDGD	
CC(C)(CCC(=O)NNC(=O)c1cccc(Cl)c1)[N+](=O)[O-]	294291753	HXMGXYSOYXVVKE-UHFFFAOYSA-N	313.741	1.937	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)COCC(F)(F)F)cc1	802051640	XZHJWQPYULFZDB-UHFFFAOYSA-N	321.255	1.427	50	20	DDGD	
C[C@H]1C(=O)Nc2cc(C(=O)NCC(Cl)Cl)ccc2N1C	808131139	IPKNXJVVJGHLNK-ZETCQYMHSA-N	316.188	1.997	50	20	DDGD	
Cc1cccnc1NNC(=O)Cc1ccccc1S(C)(=O)=O	803186911	QNMNPFGZDBHUEH-UHFFFAOYSA-N	319.386	1.479	50	20	DDGD	
Cc1ccc(F)cc1S(=O)(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	295167620	FUBKHYHBNJXFOT-ONGXEEELSA-N	316.354	1.011	50	20	DDGD	
O=C(Cc1cc(-c2ccccc2)on1)NNc1ncncc1F	817083665	RCVISJQDRHXYLC-UHFFFAOYSA-N	313.292	1.957	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccnc(-c3ncc[nH]3)c2)o1	815769663	OHEKFVUNOOYXQS-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1cccc(O)c1O	814953097	UJAJWNTWLFUEPN-UHFFFAOYSA-N	302.286	1.333	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cnn2c1OCCC2	815850347	IIIHJQYFWOIVQP-UHFFFAOYSA-N	303.278	1.331	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCCC1(O)CCC1	817154842	ZURPIKVZYYRGRA-UHFFFAOYSA-N	305.378	1.634	50	20	DDGD	
Cc1cc(C#N)cnc1C(=O)NNc1ccc(C(F)(F)F)nn1	815872343	IFGIVRJFDUAVKL-UHFFFAOYSA-N	322.250	1.827	50	20	DDGD	
CCC(CC)(C(=O)NNC(=O)c1ccnnc1)c1ccccc1	817693284	JLQCIVMDXBOCIT-UHFFFAOYSA-N	312.373	1.996	50	20	DDGD	
CCC[C@@H]1C[C@H]1C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1	812451816	MMLAWEMIJPIRNG-AAVRWANBSA-N	311.426	1.069	50	20	DDGD	
O=C(NNc1ncncc1Cl)Nc1ccn2ccnc2c1	810228532	HLSQBOFAOXCLBK-UHFFFAOYSA-N	303.713	1.926	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NOCCOC(C)C	812950956	JKFVWWKKGGZUFG-UHFFFAOYSA-N	309.366	1.225	50	20	DDGD	
O=C(CNc1cccc(Cl)c1)NNC(=O)c1ccccn1	726880003	HEJVHGQAHDGXFP-UHFFFAOYSA-N	304.737	1.608	50	20	DDGD	
CC(C)Cn1[nH]c(CC(=O)NNc2ccnc(Cl)c2)cc1=O	825004373	STAKLDSPFVHMTE-UHFFFAOYSA-N	323.784	1.567	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCc1ccc(C(N)=O)nc1	491051279	RZIYMBCKXXKPLP-QPEQYQDCSA-N	322.324	1.109	50	20	DDGD	
O=C(O)c1cccc(C(=O)NNC(=O)c2ccccc2F)c1	821549950	XSZKFMLYVWCOSV-UHFFFAOYSA-N	302.261	1.599	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	497268165	ZCUHBRRXQCNGOX-UHFFFAOYSA-N	311.382	1.242	50	20	DDGD	
Cc1ncc(C(=O)NNc2oc(C(C)C)nc2C#N)c(N)n1	824638642	AIDGZHWTQHWJTJ-UHFFFAOYSA-N	301.310	1.107	50	20	DDGD	
CCN(CCO)NC(=O)[C@H](C)CSc1ccc(F)cc1	823865279	MOLQRKRIJGYJMP-LLVKDONJSA-N	300.399	1.899	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cnc(-c2ccccn2)s1	727674679	CRJIWLXTSBTJED-UHFFFAOYSA-N	305.363	1.559	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H](O)C1)Nc1ccc(Cl)cc1Cl	822764796	NUSGFPZFBGADRZ-WRXNHJIOSA-N	318.160	1.917	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H](CO)Cc1ccncc1	490695316	MTLBUIPQYFKORI-TYWAAFNRSA-N	323.352	1.414	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1cnc(C2CC2)s1	729343117	HNTNGIMVNCXBFE-UHFFFAOYSA-N	306.347	1.758	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccc(CO)cc1	725909521	JMVLFJPQJFDHLY-UHFFFAOYSA-N	324.340	1.210	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)C1(Br)CC1)C1CC1	824327254	DBVFJUIIPYNRJC-LURJTMIESA-N	306.229	1.208	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C[C@@H]1CC(=O)Nc2ccccc21	820757323	FRZMIRPDGCTLNH-NSHDSACASA-N	301.346	1.450	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(-c2ccc(F)cc2)n(C)n1	822555982	CTTLAYPFCUAQGG-JTQLQIEISA-N	306.341	1.184	50	20	DDGD	
CC(C)C(=O)NNC(=O)CNC(=O)Nc1cccc(Cl)c1	822203629	DCTHIIJNOFDFRF-UHFFFAOYSA-N	312.757	1.265	50	20	DDGD	
C[C@H](NC(=O)c1cccc(B(O)O)c1)C(C)(C)c1ccccc1	584940344	UGUVIFUYZAUBFW-ZDUSSCGKSA-N	311.190	1.463	50	20	DDGD	
N#C[C@]1(C(=O)NNC(=O)c2ccc(Cl)nc2)CC12CCCC2	822561870	MDFINLGGTMBRCE-HNNXBMFYSA-N	318.764	1.970	50	20	DDGD	
CCCN(CC)C[C@H](C)NC(=O)/C(C#N)=C/c1cnn(C)c1	491135299	SWCJJZDQXVRNAN-LIOBOASVSA-N	303.410	1.564	50	20	DDGD	
CCCOc1cc(C=NNC(=O)c2ncon2)ccc1OC	901284788	AOADZQJJKNPLMP-UHFFFAOYSA-N	304.306	1.631	50	20	DDGD	
C[C@H](OCC1CC1)C(=O)NNC(=O)C(C)(C)c1ccccc1	731176550	VWTUKQHGKGARJU-LBPRGKRZSA-N	304.390	1.927	50	20	DDGD	
Cn1ccnc1[C@@H]1CCN(C(=O)[C@]2(C)C[C@H]2Br)C1	907133375	RRAQJZBBBCGTSZ-GIPNMCIBSA-N	312.211	1.910	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)/C(C#N)=C\c2ccc(O)cc2)n1	490696489	PCHMQSLXQSPOGM-LCYFTJDESA-N	322.324	1.464	50	20	DDGD	
CCOC(=O)c1csc(/C(C#N)=C\c2cnn(CC)n2)n1	901466127	XFSCHEPORXIPDP-UITAMQMPSA-N	303.347	1.995	50	20	DDGD	
Cc1cc(-c2nc(-c3cccc(B(O)O)c3)no2)nn1C(C)C	585051547	AXXQUGHAUKGCNT-UHFFFAOYSA-N	312.138	1.169	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCO[C@@H](c2ccc(F)cc2)C1	731848685	KXBFSUZDMXTVKK-BXUZGUMPSA-N	323.368	1.145	50	20	DDGD	
Cc1ccc2c(c1)[C@H](NC(=O)NNC(=O)[C@H]1CCCCO1)CO2	836361103	KKVJCBQCUZGLOR-TZMCWYRMSA-N	319.361	1.328	50	20	DDGD	
O=C(NCc1cc2c(s1)CCCC2)c1cccc(B(O)O)c1	584932095	OKBYTXGTNLSKHT-UHFFFAOYSA-N	315.203	1.237	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)[C@@H]1CCCCO1)SC	836332557	JJAIRHSKISRWFZ-NSHDSACASA-N	317.455	1.808	50	20	DDGD	
Cc1ccc(C)c(-c2cc(C(=O)NNC(=O)C#CC3CC3)n[nH]2)c1	837503978	LNCOOANAYQTAQT-UHFFFAOYSA-N	322.368	1.868	50	20	DDGD	
N#Cc1cccc(NNC(=O)NCc2cc3c(nc2O)CCC3)c1	733651149	HWDJTAIVJRTPAY-UHFFFAOYSA-N	323.356	1.974	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2ncon2)CN(Cc2ccccc2)C1	901290595	XAZCNQMXZWYBKV-GFCCVEGCSA-N	313.361	1.697	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@@H]1CCCCO1)c1c(F)cccc1F	833243591	USNGVJPDHUJOTH-CABZTGNLSA-N	312.316	1.785	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCCO1)c1ccc2nc(O)[nH]c2c1	834988045	FVVOCHRFJNSUJW-ZDUSSCGKSA-N	302.334	1.678	50	20	DDGD	
CCOc1ccc(C[C@H](C)CNCc2ccc(B(O)O)o2)cc1	585044686	QDQQNTZDHWEGTQ-ZDUSSCGKSA-N	317.194	1.327	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NNC(=O)[C@@H](C)C2CCC2)c1	839708311	JDGMWSZHFAMNLR-VIFPVBQESA-N	304.350	1.237	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2cccc(C#N)c2)C[C@H]1Br	906565789	JIJXGQSMYAZMHX-MFKMUULPSA-N	322.162	1.493	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(C)c(C(=O)O)c1	901195924	WLIOGJZEWDWYGE-LLVKDONJSA-N	308.334	1.195	50	20	DDGD	
CCOc1cc(C)ccc1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	831318404	SHRNDIJPGJUSMF-NEPJUHHUSA-N	321.377	1.971	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](C)Cc1cnn(C)c1	836193403	VCRYKXNZKZHHAM-GFCCVEGCSA-N	315.377	1.304	50	20	DDGD	
COC(=O)N1CCC(C(=O)NNc2cccc([N+](=O)[O-])c2)CC1	830761969	IMPJRGOUVDUVIN-UHFFFAOYSA-N	322.321	1.516	50	20	DDGD	
CCC[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)c1ccccn1	584941302	AXLVGKCBXFABRA-OAHLLOKOSA-N	316.141	1.172	50	20	DDGD	
O=C(NC[C@H]1CCCC(F)(F)C1)NNC(=O)[C@H]1CCCCO1	836443606	IBFVXIUWDDCTMD-WDEREUQCSA-N	319.352	1.711	50	20	DDGD	
Cc1[nH]c(C(=O)O)c(C)c1C(=O)NNC(=O)CCc1ccco1	832845596	IDQMEGHYURSZKY-UHFFFAOYSA-N	319.317	1.317	50	20	DDGD	
CN1C(=O)CC[C@H]1CC(=O)NNc1ccc(C#N)c(Cl)c1	832115749	YLJVLWOFHOQNCH-NSHDSACASA-N	306.753	1.666	50	20	DDGD	
C[C@]1(C(=O)NCc2ccc(O)cc2O)C[C@H]1Br	910944468	MNQGBFPYUXKBAG-PWSUYJOCSA-N	300.152	1.888	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12	732259529	GIQYSQQSIHBHIK-UHFFFAOYSA-N	318.289	1.266	50	20	DDGD	
CCN(CC)CCC(=O)NNC(=S)Nc1cccc(OC)c1	916126834	MAIQRGISFUTUGU-UHFFFAOYSA-N	324.450	1.745	50	20	DDGD	
CC(C)c1nn(C)cc1C(=O)NNC(=O)Cc1ccc(F)cc1	917924954	GPHJLCJWEHDFGT-UHFFFAOYSA-N	318.352	1.686	50	20	DDGD	
COc1ccc(S(=O)(=O)NCCCSC#N)cc1OC	916964259	KBQGQGRDYSNZGY-UHFFFAOYSA-N	316.404	1.586	50	20	DDGD	
COCCOC[C@@H](C)NC(=O)NNc1ccc(Cl)nc1	745862947	AKCCIKIEFOSKQN-SECBINFHSA-N	302.762	1.413	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)CCc2ccccc2)cc1C1CC1	741916703	CIMLXQOQAPRZSR-UHFFFAOYSA-N	312.373	1.691	50	20	DDGD	
Cc1ccc([C@H](C)C(=O)NNC(=O)c2ccc3c(c2)OCO3)o1	742471776	IAHQIVSYVGVRFY-JTQLQIEISA-N	316.313	1.881	50	20	DDGD	
CC[C@](C)(N[C@H](C)C(=O)NNC(=O)CC(C)C)C(F)(F)F	746483221	LZHPJUCRZRVTQW-SKDRFNHKSA-N	311.348	1.889	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cc(C)c(O)c(C)c1	740762397	OXIISSRGMODWGT-UHFFFAOYSA-N	305.378	1.764	50	20	DDGD	
C[C@@H]1CCCc2ncc(C(=O)NNC(=O)CC(F)(F)F)n21	846631719	CDNDTXXYVFTKFV-SSDOTTSWSA-N	304.272	1.494	50	20	DDGD	
O=C(NN=Cc1cc(Cl)cc(Cl)c1)C(=O)NC1CC1	917541654	LGSDYXZOZSMLNV-UHFFFAOYSA-N	300.145	1.722	50	20	DDGD	
O=C(COC1CCOCC1)NNc1cccc(C(F)(F)F)n1	740135810	BQYXURJQLBEWSO-UHFFFAOYSA-N	319.283	1.739	50	20	DDGD	
Cc1noc(C)c1C=NNC(=O)c1ccc(-n2cnnn2)cc1	916352274	SSBYRQCPLADHCV-UHFFFAOYSA-N	311.305	1.031	50	20	DDGD	
C[C@@H]1CCNC(=O)[C@H]1NS(=O)(=O)c1ccc(CCl)cc1	915226695	YRSSCTNMWDZCPO-SKDRFNHKSA-N	316.810	1.228	50	20	DDGD	
COc1cc(C(C)=NNC(=O)N2CCOCC2)cc(OC)c1O	842525177	MXNRBXAFVXOVDT-UHFFFAOYSA-N	323.349	1.175	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCCc1ccc(O)c(F)c1	843970262	CSMIGOLKXNNJBF-CMPLNLGQSA-N	324.352	1.426	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC[C@@H](C)C(=O)O)c1ccccc1	848586153	SJZJLDMZEVGCDR-PWSUYJOCSA-N	307.350	1.231	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=S)Nc1ccc2c(c1)OCO2	843277351	OYNLTBRYMVGRLO-WCBMZHEXSA-N	323.374	1.158	50	20	DDGD	
CC(C)COc1ncccc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843649718	WUCCAKDSCIIAAV-NEPJUHHUSA-N	321.377	1.302	50	20	DDGD	
CCNC(=O)NNS(=O)(=O)c1cccc(O[C@H](C)CC)c1	849307277	NIYGPXCHHVHNQM-SNVBAGLBSA-N	315.395	1.376	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cc(Cl)c2c(c1)OCCO2	842559578	VJJVQUPDNMGCCS-ONGXEEELSA-N	324.764	1.986	50	20	DDGD	
CC(C)[C@@H](N)CNC(=O)NNc1ccc2c(=O)[nH]ccc2c1	841944258	XWZRKCOSGTYOGQ-ZDUSSCGKSA-N	303.366	1.138	50	20	DDGD	
O=C(CNC(=O)c1ccccc1)NNc1ccc(Cl)nc1	743819506	SJBSTGVEUBTGLG-UHFFFAOYSA-N	304.737	1.608	50	20	DDGD	
Cc1ccc2cc(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)ccc2n1	843658635	FIXKVVSIRHGDAU-BXUZGUMPSA-N	313.357	1.729	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc(F)cc2nc[nH]c12	918475896	IANBXISNJGKDNU-UHFFFAOYSA-N	301.281	1.115	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)n1	746759773	BIHRPJHRPHPIAH-SRVKXCTJSA-N	305.382	1.856	50	20	DDGD	
Cc1[nH]c2ccccc2c1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843978211	WKHSXGCPRRNXPZ-GHMZBOCLSA-N	301.346	1.662	50	20	DDGD	
CNC(=O)NN=C1CCC[C@H](N2C(=O)c3ccccc3C2=O)C1	745198105	UPUOEMLGMJGJCB-NSHDSACASA-N	314.345	1.510	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2cccc(C#N)c2)C[C@H](C)S1	743587207	FPUPKWKSGSBAPB-QWRGUYRKSA-N	318.402	1.738	50	20	DDGD	
Cc1cc2c(cc1C)[C@H](C(=O)NNC(=O)c1ncccn1)CO2	841350930	VRNNPCCLWQYTTA-GFCCVEGCSA-N	312.329	1.031	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1ccc(Cl)c(F)c1	844649314	IZYLITVZQWGFRU-UHFFFAOYSA-N	323.777	1.772	50	20	DDGD	
Cn1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)nn1	741467766	BPMSLULIUAUJTG-WUXMJOGZSA-N	308.750	1.807	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cc(-c3ccccc3)[nH]n2)n1	740114513	YGBUYJRUVGMFSC-UHFFFAOYSA-N	323.360	1.690	50	20	DDGD	
CC(=NNC(=O)C(=O)NC(C)C)c1ccc2c(c1)CCCC2	744818187	UJHXNPFWOLZCIW-UHFFFAOYSA-N	301.390	1.930	50	20	DDGD	
CCC(=O)N1CCC[C@H](C(=O)NNc2ccc(Cl)cn2)C1	856095476	NXVZRQDEVNIEMK-JTQLQIEISA-N	310.785	1.827	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1sc(Cl)nc1Cl	755586301	GSURMFXRHGRHDE-UHFFFAOYSA-N	321.189	1.522	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cccc(F)c1C#N	854283927	PVIWZUJGHVDAGJ-UHFFFAOYSA-N	324.381	1.185	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Nc2scnc2C2CC2)cn1	757800950	QIIFFZHPTAMCQF-UHFFFAOYSA-N	306.351	1.221	50	20	DDGD	
Cn1cnnc1SCC(=O)NC[C@@]1(C)C[C@H]1Br	857735149	XTBCIXYPGWOTOC-GMSGAONNSA-N	319.228	1.197	50	20	DDGD	
Cc1ccccc1C1(CNC(=O)NNC(=O)c2cn[nH]c2)CC1	858179066	GECFGLDYAJPNJJ-UHFFFAOYSA-N	313.361	1.394	50	20	DDGD	
CCc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cc1	853387084	JGNOEJIBJKKAGW-CVEARBPZSA-N	301.390	1.562	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NC[C@H](C)S(C)(=O)=O	853900156	BKPQHZLMIBXZOD-VIFPVBQESA-N	303.359	1.193	50	20	DDGD	
COCC[C@@H]1NC(=O)N(C[C@]2(C)C[C@@H]2Br)C1=O	857227246	JAWNBYYXNBKDRL-LAEOZQHASA-N	305.172	1.117	50	20	DDGD	
NC(=O)Nc1ccc(C(=O)NNc2cccnc2Cl)cc1	754485681	PPTZLSZSZXIRTL-UHFFFAOYSA-N	305.725	1.983	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)Cc2cnccc2C)n1	857154355	UGVLMOTVCIRRFX-UHFFFAOYSA-N	314.393	1.712	50	20	DDGD	
COC1(C(=O)NC[C@]2(C)C[C@H]2Br)CCOCC1	857387254	GIVVJPDBAVBNKX-KOLCDFICSA-N	306.200	1.472	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2nnn(C(C)(C)C)n2)cc1F	854224559	OTVAFAZXDQPYNW-UHFFFAOYSA-N	321.360	1.702	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H](C)OCc2ccc(C)cc2)n1	858403443	BNSVMLLELYKVNW-GFCCVEGCSA-N	316.361	1.842	50	20	DDGD	
O=C(NN=C1CSCCc2ccccc21)C(=O)NC1CC1	759196524	MAWFVTWWLSLCID-UHFFFAOYSA-N	303.387	1.075	50	20	DDGD	
COCC(C)(C)C(=O)NNc1ccc(Br)nc1	756767829	KFSSVCVXTPENKH-UHFFFAOYSA-N	302.172	1.960	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C=NNC(=O)c1cc[nH]n1	853391555	RHCJJOSMOLLGNB-CMPLNLGQSA-N	302.338	1.027	50	20	DDGD	
Cc1ccc2c(c1)C(=NNC(=O)[C@H]1CCS(=O)(=O)C1)CCC2	753923433	HLZZRGSYEHKYGL-ZDUSSCGKSA-N	320.414	1.586	50	20	DDGD	
C[C@]1(CNC[C@H](O)COC2CCOCC2)C[C@@H]1Br	857241321	UPPTXGAOPMTOMA-WCFLWFBJSA-N	322.243	1.306	50	20	DDGD	
C[C@]1(CNC(=O)c2ccc(C(N)=O)cc2)C[C@H]1Br	857688143	DDRWQVACGYVGCX-ZWNOBZJWSA-N	311.179	1.689	50	20	DDGD	
CCCC[C@@](C)(F)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	854260302	IBHIRAVVVCGMFA-MRXNPFEDSA-N	323.368	1.999	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cnccn2)c(Cl)n1	757686054	BDWQLWAXKPTUKD-UHFFFAOYSA-N	322.712	1.000	50	20	DDGD	
Cn1nc(C2CC2)cc1CNC(=O)NNC(=O)CC(C)(C)C	927612600	MZXMPGKAABXETG-UHFFFAOYSA-N	307.398	1.564	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41	857357706	APUFKFAYXOJNGM-VBJLVJOSSA-N	316.792	1.967	50	20	DDGD	
NC(=O)c1ccc(NC(=O)NNC(=O)CC(F)(F)F)cc1F	756354951	LXVFIRHQIDDMGO-UHFFFAOYSA-N	322.218	1.030	50	20	DDGD	
O=C(C[C@@H](O)c1cccc(F)c1)NNC(=O)CC(F)(F)F	855000599	LMQOULVWROPJFC-SECBINFHSA-N	308.231	1.349	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NNC(=O)C2CCCC2)C1	751081026	PNWOFOYETPDBFN-GXTWGEPZSA-N	323.437	1.609	50	20	DDGD	
O=C(NNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccccc1F	757528188	BLMVXAOLSIMJIT-UHFFFAOYSA-N	321.239	1.948	50	20	DDGD	
CCC[C@H](O)CC(=O)NNC(=O)Cc1c[nH]c2ccccc12	750069647	YEKHXHLWUCPBAA-LBPRGKRZSA-N	303.362	1.409	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccnn1C1CCCC1	855090979	XCMSGUOVNPVCQP-UHFFFAOYSA-N	321.450	1.907	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cnc(-c2ccccn2)nc1	930133742	MCZJIWMZKWKISK-UHFFFAOYSA-N	311.345	1.490	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CC23CCC3)c1	759715515	XFARAMCNKLFCKH-LBPRGKRZSA-N	322.386	1.041	50	20	DDGD	
CC(C)N(C)CCNC(=O)NC[C@@]1(C)C[C@@H]1Br	856833399	YNQUPFVMBQDIOQ-CMPLNLGQSA-N	306.248	1.799	50	20	DDGD	
CN(C)C(=O)NNC(=O)C1CC(O)(c2cccc(Cl)c2)C1	858908066	VUAXNBDRSVRQKD-UHFFFAOYSA-N	311.769	1.240	50	20	DDGD	
COCC1(C(=O)NC[C@@]2(C)C[C@@H]2Br)CCNCC1	857007977	ZBSMRPQMMSOCOW-CMPLNLGQSA-N	319.243	1.292	50	20	DDGD	
Cc1noc(C2CC2)c1C(=O)NNC(=S)NCC1CCC1	855089054	AJDSZFAJQONLMJ-UHFFFAOYSA-N	308.407	1.769	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCCC2)nc1)c1cccc(F)n1	853442054	HMUYCMBMFSVJBV-UHFFFAOYSA-N	313.336	1.980	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H](C)C[C@@H]2CCOC2)n1	759765804	CYIZRTIKOPFKQT-KOLCDFICSA-N	309.370	1.235	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)Nc1ccc2c(c1)COC2	757854266	XRIOMRBDPQACEX-UHFFFAOYSA-N	313.313	1.889	50	20	DDGD	
Cc1ccc(Cl)cc1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1	860265039	MQJNVPNJKIBWDR-VIFPVBQESA-N	310.741	1.080	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCN(C(=O)C2CC2)CC1	866410976	ZFVNLWOMKCIOGG-UHFFFAOYSA-N	322.858	1.135	50	20	DDGD	
CCOC(=O)Nc1ccc(F)c(C(=O)NN(C)C(=O)OC)c1	935909447	YMNCWUYEPZMIMX-UHFFFAOYSA-N	313.285	1.737	50	20	DDGD	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NNC(=O)C(C)(C)O	768262430	WJKWARUAUPYHLM-UPJWGTAASA-N	314.426	1.382	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1cnn(C2CCC2)c1	934315737	UJJPOOGIJVCGJP-UHFFFAOYSA-N	305.260	1.713	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)[C@H]1C[C@@]12CCOC2	764058227	FODFEAARAHXLMP-QMTHXVAHSA-N	301.306	1.001	50	20	DDGD	
Cc1cc(=NNC(=O)Cc2c(C)nn(C(C)C)c2C)cc[nH]1	862513888	NNVYHBJNIBXGOG-UHFFFAOYSA-N	301.394	1.892	50	20	DDGD	
CCCCOc1ccc(NC(=O)NNC(=O)c2cn[nH]c2)cn1	860974002	OTNBFDPDELNLAH-UHFFFAOYSA-N	318.337	1.450	50	20	DDGD	
CCN1C[C@@H](C)N(C(=O)NNC(=O)c2ccccc2)C[C@H]1C	765647284	ITCIGDNMKFVLSA-CHWSQXEVSA-N	304.394	1.456	50	20	DDGD	
O=C(NNC(=O)c1cccc(OCC(F)F)n1)c1ccccn1	760222808	CXECWCMHYSKCAO-UHFFFAOYSA-N	322.271	1.195	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cccc(O)c1O	863101417	SJTKHCDQCBQCQI-UHFFFAOYSA-N	300.183	1.530	50	20	DDGD	
COC(=O)[C@H]1CCC[C@@H](C(=O)NNc2nc3ccccc3[nH]2)C1	768513188	RMMJWOQWOYANPZ-MNOVXSKESA-N	316.361	1.985	50	20	DDGD	
Cc1nn(C)c2ncc(NC(=O)NNC(=O)C(C)(C)C)cc12	769960011	XUJMTRDPHXVKMQ-UHFFFAOYSA-N	304.354	1.476	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2cccn2Cc2cccs2)N1	863147894	OLBUAAWOVWKUQR-ZDUSSCGKSA-N	316.386	1.327	50	20	DDGD	
O=C(NNc1ccc(-n2cccn2)nn1)N[C@H]1CCC(F)(F)C1	764376170	GVBNRRUNINYNAO-VIFPVBQESA-N	323.307	1.476	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H]1c1ccc(COC)o1	767933592	IZFXLDRUJUFHNQ-WCQYABFASA-N	323.393	1.509	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)c1cncc(N2CCCC2)n1	879027798	FNBYPMJIUWZVMS-UHFFFAOYSA-N	318.768	1.882	50	20	DDGD	
O=C(Cn1ccccc1=O)NNc1ccc(F)c([N+](=O)[O-])c1	771594933	JTJUSUYGVAPLLK-UHFFFAOYSA-N	306.253	1.039	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CCOC(C)C)c1	874950947	ZIFQPAKUTNRMNF-UHFFFAOYSA-N	305.403	1.801	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NNc1ccnc(Br)c1	771547039	LQHMROPKNLYZPR-BDAKNGLRSA-N	300.156	1.712	50	20	DDGD	
CCOC(=O)C(F)(F)[C@H]1CCCC(=NNC(=O)CN(C)C)C1	772842575	PRCXTWRZFOWGTA-JTQLQIEISA-N	319.352	1.409	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cccc(NC(N)=O)c1	772866192	FJYPOAKPVYKIAI-UHFFFAOYSA-N	314.349	1.848	50	20	DDGD	
C[C@@H]1C[C@H](CNC(=O)NNC(=O)c2cccc(C#N)c2)CCO1	770769473	HMBYWDBPVRXTNK-DGCLKSJQSA-N	316.361	1.317	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H]1c2c[nH]nc2CC[C@@H]1C	878001250	USKYPNHNBVPTEG-XHDPSFHLSA-N	312.373	1.845	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc2c(c1)CC(C)(C)O2	779822399	CUSZTGQUMUZZFX-UHFFFAOYSA-N	305.334	1.206	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H]2[C@H]3CCC[C@H]32)c1	776703176	VBCLTNQQHNTNGN-NHAGDIPZSA-N	316.357	1.345	50	20	DDGD	
COc1ccc(C)cc1[C@@H](C)NCC(=O)NNC(=O)C(C)(C)C	774822475	BHNHREDYJLYZDQ-GFCCVEGCSA-N	321.421	1.848	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C(C1CC1)C1CC1	772215791	KACWWRROVOOINW-SNVBAGLBSA-N	310.394	1.548	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NO[C@@H]1CCCCO1	776229528	VXIXQRGSINLTAG-CQSZACIVSA-N	307.350	1.408	50	20	DDGD	
Cc1cc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)oc1C	772208676	ITUOTLDWHZZMQZ-LLVKDONJSA-N	310.350	1.635	50	20	DDGD	
Cc1noc(C2CC2)c1NC(=O)C(=O)NN(C)c1ccccc1	783433741	VUTIEUHWEBWNHY-UHFFFAOYSA-N	314.345	1.967	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@H]1CCCC(C)(C)C1	785908427	HMMYWHXVYDEMEN-NEPJUHHUSA-N	315.414	1.337	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C(=O)Nc1cccc2cc[nH]c12	784852149	VVCDBTOOSHOAHG-UHFFFAOYSA-N	313.292	1.784	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C)[C@H](C)O	789940014	VPDWDVTZERMCEO-IHRRRGAJSA-N	322.405	1.625	50	20	DDGD	
O=C(NN=Cc1c(Cl)ccc2cccnc12)C(=O)NC1CC1	781121518	JKNHQEFQQIJJHT-UHFFFAOYSA-N	316.748	1.617	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1	887140888	XADWCGCMGFONSU-UHFFFAOYSA-N	315.373	1.846	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N[C@]1(C)CCOC1=O)c1ccccc1	1123767627	TVCZTHRIZPMIJN-MLGOLLRUSA-N	319.361	1.216	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cc2ccc(O)cc2)c1	780795918	HJOKGYYVUDIFCU-UHFFFAOYSA-N	300.314	1.865	50	20	DDGD	
C[C@H]1CCCC(=NNC(=O)Cc2cc(O)nc(S)n2)[C@@H]1C	781124087	UYQRGKSCJRNJKJ-DTWKUNHWSA-N	308.407	1.942	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1c(F)cccc1OC(F)(F)F	789050846	MALBYLWYBVCVAZ-UHFFFAOYSA-N	308.231	1.945	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ncncc2Cl)nc1	781820495	XSGNUGOODTWXCM-UHFFFAOYSA-N	307.697	1.069	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)Nc1cccc(N2CCNC2=O)c1	781162063	JHJKPRUROLVSRG-UHFFFAOYSA-N	312.333	1.182	50	20	DDGD	
CC(=O)Nc1cccc(C(=O)NNC(=S)NC(C)(C)C)c1C	785632460	LWMJPEQDHMWJAT-UHFFFAOYSA-N	322.434	1.861	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CCn1nc(C)cc1C	780727742	FTWKXRCBDOFXMM-UHFFFAOYSA-N	316.361	1.820	50	20	DDGD	
CN(C[C@@H]1CCCC[C@@H]1O)S(=O)(=O)CBr	782476568	CYRZOXLQYYSWOG-IUCAKERBSA-N	300.218	1.152	50	20	DDGD	
Cn1nc([C@@H]2CCCOC2)cc1NC(=O)NNc1ncccn1	790545456	HCDBZXBBYICWEL-SNVBAGLBSA-N	317.353	1.253	50	20	DDGD	
CO[C@@H](C(=O)NNC(=S)NC(C)(C)C)c1ccc(F)cc1	899999445	MXQRJJWSZHCRHE-LLVKDONJSA-N	313.398	1.807	50	20	DDGD	
CNC(=O)Nc1cccc(C(=O)NNC(=O)CC(C)(C)C)c1	894254691	JLXJBTZAEJZTHZ-UHFFFAOYSA-N	306.366	1.635	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC2(CCC2)c2ccccc21	792317098	KGVSVYOTZJXJTD-LBPRGKRZSA-N	301.390	1.874	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccc2nsnc2c1	791263112	CDYPXBGSPSOUQL-UHFFFAOYSA-N	311.330	1.491	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H]2[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)n1	792932337	OVVRQRSKVNSRIT-WBTLJEKMSA-N	310.401	1.931	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C[C@@H]1CCCOC1	794907157	RHNRUSZJADFFOJ-LBPRGKRZSA-N	321.377	1.071	50	20	DDGD	
CC(C)(C)[C@@H]1C[C@@H](NS(=O)(=O)CBr)CCO1	721892081	YCVASIUHHOOZOV-IUCAKERBSA-N	314.245	1.852	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=C1CCN(CC(F)(F)F)CC1	1317866301	SSRKRNAJFISVNG-UHFFFAOYSA-O	315.319	1.104	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccc(OC)cc1)N(CC)CC	1319260973	OZETUEHUWHCWHS-CQSZACIVSA-N	307.394	1.577	50	20	DDGD	
CC(=NNC(=O)C[n+]1ccccc1)c1ccc(C)c([N+](=O)[O-])c1	1317697526	FAAWWRKQLUVNPK-UHFFFAOYSA-O	313.337	1.731	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCc2ccc(O)cc2)cc1	1317975622	DKWCAPIUZHKPAV-UHFFFAOYSA-N	315.329	1.545	50	20	DDGD	
Cc1ccc(NC(=O)CCl)cc1N1CCCS1(=O)=O	1319785478	CRJDGCOXMBQQHW-UHFFFAOYSA-N	302.783	1.712	50	20	DDGD	
N#CCOc1ccc(NC(=O)NNC(=O)c2ccncc2)cc1	1320105883	JCRTXIOTXVIJPT-UHFFFAOYSA-N	311.301	1.450	50	20	DDGD	
CCN(Cc1ccccc1F)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	1326299873	UFFAPUNMEGTSSN-YPMHNXCESA-N	323.368	1.813	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H](C)[C@@H]2CCCOC2)cc1	1320789278	MZKAFCYJAQQJQZ-DGCLKSJQSA-N	321.377	1.454	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@H](C)c1ccc2c(c1)CCCC2	1325435154	OVYMCZQYXBACAJ-SNVBAGLBSA-N	319.361	1.130	50	20	DDGD	
COC(=O)C(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	1323483603	QLFTWJKAJMFRIT-UHFFFAOYSA-N	313.313	1.679	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc(F)c(F)c(O)c1F	1320222509	ZKDWBEOZUJYVQU-UHFFFAOYSA-N	307.297	1.327	50	20	DDGD	
CN(C)c1ncccc1C=NNC(=O)COc1ccccc1C#N	1329438414	CIXMQFHOSDZIGW-UHFFFAOYSA-N	323.356	1.548	50	20	DDGD	
CN(C)[C@@H]1CCCC[C@H]1NC(=O)NNc1ncc(F)cc1F	1330848060	VFZDXOAERKNMRM-VXGBXAGGSA-N	313.352	1.859	50	20	DDGD	
C[C@H](NC(=O)CCC(=O)NNc1ccn(C)n1)c1ccccc1	1332102968	DHKJOVIOSDTQIQ-LBPRGKRZSA-N	315.377	1.521	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)[C@@H]1CCCN1C(=O)C1CC1	1332506805	JDLHRGFRTSUYRS-NSHDSACASA-N	308.769	1.579	50	20	DDGD	
Cc1n[nH]c(C)c1C[C@H](C)C(=O)NNC(=O)c1cccc(F)n1	1330987562	HPEUGWLCXBPDQB-QMMMGPOBSA-N	319.340	1.200	50	20	DDGD	
CC1(C)C[C@H](C(=O)NNC(=O)CCc2ccccc2)CCO1	1335773739	SLEZLBMOJPPMQD-CQSZACIVSA-N	304.390	1.972	50	20	DDGD	
CC1=NO[C@@](C)(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)C1	1335909401	PEGBODUQLQXSOO-CYBMUJFWSA-N	312.276	1.672	50	20	DDGD	
C[C@@H]1CCN(C(=O)C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	1347968513	XQKREIPJCJBKAS-VDDIYKPWSA-N	303.200	1.145	50	20	DDGD	
C[C@]1(CNC(=O)c2cnc3[nH]ncc3c2)C[C@@H]1Br	1347342140	HBDWDCFQSBKIMD-JOYOIKCWSA-N	309.167	1.861	50	20	DDGD	
COc1nn(C)cc1C(=O)NNc1ccc(C(C)(C)C)nn1	1355332786	CBCAGLNPCREGOP-UHFFFAOYSA-N	304.354	1.273	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1C(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1603751460	HWBPUDFWAGTNPJ-WDEREUQCSA-N	311.407	1.872	50	20	DDGD	
CO[C@@H](C(=O)NNc1cccc(C(=O)O)c1C)c1cnn(C)c1	1606651605	UNJGKMAHKDAYAQ-CYBMUJFWSA-N	318.333	1.258	50	20	DDGD	
C[C@H](CBr)COC(=O)c1c[nH]c(-c2nn[nH]n2)c1	1609108302	JQNVOIMCORNQQP-ZCFIWIBFSA-N	314.143	1.383	50	20	DDGD	
CO[C@@H]1CCC[C@H]1NC(=O)NNc1ccc(CC(=O)O)cc1	1607000287	RTABBMNGOLQXMQ-CHWSQXEVSA-N	307.350	1.507	50	20	DDGD	
O=C(Cc1ccccc1O)NN=Cc1ccc(C(=O)O)s1	1605719524	FQZPQUOAXQYWAF-UHFFFAOYSA-N	304.327	1.845	50	20	DDGD	
Cc1cccnc1C(=O)NN[C@H](C(=O)O)c1ccc(F)cc1	1600589758	IOJWMSWOPFNHFV-ZDUSSCGKSA-N	303.293	1.589	50	20	DDGD	
Cc1ccc(-c2nn[nH]n2)cc1C(=O)NCCCSC#N	1605792468	TXGDENUXDOSIKA-UHFFFAOYSA-N	302.363	1.509	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1cccc(C(=O)O)c1)[C@H]1CCOC1	1606675152	BOJFXYSHUYQGRU-AAEUAGOBSA-N	323.349	1.062	50	20	DDGD	
O=C(Cc1nc(C2CC2)n[nH]1)NNc1ccccc1C(=O)O	1601375239	GECMHKKDKZTBQD-UHFFFAOYSA-N	301.306	1.066	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccn2C)cc1C(=O)O	1600341112	NPQUYSZVYFFSOS-UHFFFAOYSA-N	301.302	1.107	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(CC(=O)O)cc1)[C@@H]1CCCOC1	1604291545	NESZWFJPXGABPD-WCQYABFASA-N	321.377	1.755	50	20	DDGD	
CCO[C@@H](C(=O)NNc1cccc(C(=O)O)c1)[C@H]1CCOC1	1605586271	BPUSJBNKWRJGSQ-WCQYABFASA-N	308.334	1.270	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cccnc2S)c(F)c1	1602383027	PCZRWOYPKWTGJP-UHFFFAOYSA-N	307.306	1.965	50	20	DDGD	
NCC12CCC(CC1)N2C(=O)NNc1ccc(F)c(C(=O)O)c1	1601186350	WNVKZUXZIBVKBK-UHFFFAOYSA-N	322.340	1.516	50	20	DDGD	
CO[C@H]1COCC[C@@H]1CC(=O)NNc1cccc(C(=O)O)c1	1610241848	YXGXZKGBQLEAAH-MFKMUULPSA-N	308.334	1.270	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC[C@H](C(=O)O)C2)cc1F	1610484750	DIJILQACUOZJCO-PWSUYJOCSA-N	322.336	1.786	50	20	DDGD	
CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](F)Cl)[nH]n1	1817022431	RLCJNIGUUPDAED-ONGXEEELSA-N	302.737	1.956	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@@H]1C=NNC(=O)c1ccncc1	1552759770	MJWDEOATFIGXDB-ZIAGYGMSSA-N	313.361	1.791	50	20	DDGD	
C[C@H]1CCN[C@H](C(=O)NNC(=O)Cn2ccc3ccccc32)C1	1576743886	CJTRHRPDYJHUPY-JSGCOSHPSA-N	314.389	1.177	50	20	DDGD	
CCCC[C@@H](N)C(=O)NNC(=O)CSc1ccccc1O	1577410654	UHIVQFNDNSLHOJ-SNVBAGLBSA-N	311.407	1.149	50	20	DDGD	
Cc1ccc2occ(CC(=O)NNC(=O)C3CCNCC3)c2c1	1579743580	ZAYAMUNKQLKLRT-UHFFFAOYSA-N	315.373	1.431	50	20	DDGD	
COC[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(Cl)Cl	1847864402	QZURSEJPCZAKKH-GUBZILKMSA-N	323.220	1.274	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1cc(-c2nn[nH]n2)ccn1	1593167365	ZVPGQKHSZOHQSM-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
CC(C)(C)NCC(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843362728	FYKYFMGWPIZWGL-LLVKDONJSA-N	319.808	1.112	50	20	DDGD	
COc1cnc(F)c(C(=O)NNc2ccc(CC(=O)O)cc2)c1	1599725051	TXVGOXNAYIOQTR-UHFFFAOYSA-N	319.292	1.613	50	20	DDGD	
Cc1cc(C)c(NNC(=O)c2cc(-c3nn[nH]n3)ccn2)c(C)c1	1591949895	ZIOJUWGPIRYARH-UHFFFAOYSA-N	323.360	1.944	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](C)C(=O)O)c(C(F)(F)F)c1	1594106453	VBOLJXKQQYSOLO-ZCFIWIBFSA-N	306.240	1.878	50	20	DDGD	
CC[C@@H](C(=O)O)C(=O)Nc1cccc(NC(=O)NN(C)C)c1	1594761380	AVAZLMJIIYBRIU-LLVKDONJSA-N	308.338	1.334	50	20	DDGD	
O=C(NN=Cc1ccc2oc(C(=O)O)cc2c1)c1cnsn1	1776104874	CXSHSJCHRXQLRY-UHFFFAOYSA-N	316.298	1.746	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCCNc1ccccc1[N+](=O)[O-]	158648975	TYGXVNMEHSNNCB-KHPPLWFESA-N	304.306	1.567	50	20	DDGD	
CNC(=O)CCCC(=O)NNc1cccc(Br)c1	156575545	HHIBDBOKLVUOBX-UHFFFAOYSA-N	314.183	1.809	50	20	DDGD	
CCn1nnc(C)c1CN(C)NC(=O)OCc1ccccc1	859386619	WKKLAUWFESKFIC-UHFFFAOYSA-N	303.366	1.880	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc2c(c1)OCCO2	8090073	YLHYWFBTPJGNJM-UHFFFAOYSA-N	312.325	1.841	50	20	DDGD	
CC(=O)N(CCC(=O)NNc1ncccn1)Cc1ccccc1	101854750	PRRYTEVTLNCDRR-UHFFFAOYSA-N	313.361	1.359	50	20	DDGD	
Cc1ccc(NNC(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)nn1	106263547	XUTQJZOIFVUWGZ-BETUJISGSA-N	320.441	1.779	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H](C(C)C)N(C)C)c1	110599984	GRMWVGVLTCPZHL-INIZCTEOSA-N	321.421	1.416	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2oc(C)nc2C)c1	174396302	MIWLWVSESLSNMZ-UHFFFAOYSA-N	317.345	1.748	50	20	DDGD	
CC(C)OCCC(=O)NNC(=O)Cn1ccc2ccccc21	104631231	BBZFHRWWNBXGMW-UHFFFAOYSA-N	303.362	1.604	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)Nc1cccnc1	104776112	TZAREJDKYHRQMZ-UHFFFAOYSA-N	309.329	1.889	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cc(F)ccc2O)cc1	175180170	AGAGDMQARLWKOY-UHFFFAOYSA-N	318.304	1.680	50	20	DDGD	
O=C(NNc1ccc(Br)cc1Cl)c1c[nH]nn1	113985957	LCOISLHDQKAOEF-UHFFFAOYSA-N	316.546	1.978	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](c2ccccc2)N(C)C)n1	174480096	JEVCAEANHWDNAJ-CQSZACIVSA-N	315.377	1.540	50	20	DDGD	
CCCCN(C)CCNC(=O)NNC(=O)c1ccccc1OC	112465764	IPIHWZYKQAMGCQ-UHFFFAOYSA-N	322.409	1.371	50	20	DDGD	
COCCOc1ccc(C(=O)NNc2ccc(Cl)nn2)cc1	172440026	ZVQSIOYDYLAPTP-UHFFFAOYSA-N	322.752	1.912	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC2CCCCCC2)n1	42996481	KWNVRLOUXAOLQH-UHFFFAOYSA-N	307.398	1.553	50	20	DDGD	
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NNc1ncccn1	124004274	DWROSQNYNOMQQB-OAHLLOKOSA-N	323.356	1.884	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCNc1ccccc1[N+](=O)[O-]	127907969	MBYKAMKYLFAPNX-UHFFFAOYSA-N	323.353	1.383	50	20	DDGD	
C[C@H](CC(=O)NNc1ncc(F)cn1)NC(=O)c1ccccc1	123349262	RCCPWRRZLFKALF-SNVBAGLBSA-N	317.324	1.267	50	20	DDGD	
Cc1cnc2c(S(=O)(=O)NNC(=O)C(C)(C)C)cccc2c1	77708790	YOIDTQGIVSJFKL-UHFFFAOYSA-N	321.402	1.899	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(CCCNC(=O)NNc2cccnn2)C1	77347846	SZLGIULXBLUUNU-BETUJISGSA-N	306.414	1.471	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)c1cccn1C	78275302	MMNBDMILASWAEG-QMTHXVAHSA-N	315.329	1.015	50	20	DDGD	
O=C(C[C@@H]1CCS(=O)(=O)C1)NNc1cccc2c1CCCC2	120156711	ZKOZQYQDZPVKQB-LBPRGKRZSA-N	322.430	1.833	50	20	DDGD	
CN(NC(=O)c1nn(-c2ccccc2F)c2c1CCC2)C(N)=O	181068617	IHQKNOHPMXICPU-UHFFFAOYSA-N	317.324	1.155	50	20	DDGD	
CCN(C[C@H]1CCCO1)C(=O)NNC(=O)c1ccc(C#N)cc1	126435840	SSAXZOICWOHGGQ-CQSZACIVSA-N	316.361	1.414	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(C)(Cl)Cl	183449401	QYANTOBIELDHSZ-SSDOTTSWSA-N	323.151	1.934	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C1=C(C)OCCC1	130759782	CYMFZLROSOPMCL-UHFFFAOYSA-N	304.346	1.470	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1oc2c(c1C)C(=O)CCC2	139569459	BLSDZSXLUPXFAA-UHFFFAOYSA-N	323.349	1.088	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)Nc2cccc(F)n2)c1	134332561	GYTCEPJEXKAVRH-UHFFFAOYSA-N	324.337	1.773	50	20	DDGD	
O=C(NNC(=O)c1ccnc(OC2CCC2)c1)c1ccncc1	133516167	ZJSVRKKYCUVQLH-UHFFFAOYSA-N	312.329	1.483	50	20	DDGD	
C=CCC1(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)CCC1	191954774	BKDGECRKWYMSRD-OKILXGFUSA-N	323.437	1.380	50	20	DDGD	
C=C[C@@](C)(CC)C(=O)NNC(=O)CNc1ccccc1OC	134921421	UEZBOEAZOJXIKN-INIZCTEOSA-N	305.378	1.857	50	20	DDGD	
Cc1ccc(F)c(OCC(=O)NNC(=O)c2cccnc2)c1	133662015	PORPDPJXPCGRTE-UHFFFAOYSA-N	303.293	1.369	50	20	DDGD	
COc1nccnc1NNC(=O)COc1ccc2c(c1)CCC2	132007370	HCDJVSQCSYFIFU-UHFFFAOYSA-N	314.345	1.496	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C(F)(F)c2ncccc2C)n1	194717882	ONIWTDYDZJPDJM-UHFFFAOYSA-N	323.303	1.732	50	20	DDGD	
CCCNC(=O)CCC(=O)Oc1ccc([N+](=O)[O-])cc1OC	264720846	XTJCDIYZLODDEO-UHFFFAOYSA-N	310.306	1.815	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@H](C(=O)NNc2nc(C)cc(OC)n2)C1	266982016	ZKQNSPLJOIGNHI-WDEREUQCSA-N	322.365	1.216	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@@H]1CCCc2cn[nH]c21	269031751	MZPKGCRXMUSYFB-GFCCVEGCSA-N	317.324	1.570	50	20	DDGD	
CCc1ccc(OCC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	269352099	KSYNIQCZPKAFFO-AWEZNQCLSA-N	306.362	1.344	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(Cl)nc1Cl)C1CCC1	264833272	ZYLONWIKAYVVGF-UHFFFAOYSA-N	324.189	1.498	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](O)CCc2ccccc2)nc1	275647603	UHUZFWRFVBIVIQ-AWEZNQCLSA-N	301.346	1.527	50	20	DDGD	
CON(C)C(=O)c1ccc(NC(=O)NNC(=O)CC(C)C)cc1	273589309	ORZPODNTFFFMAQ-UHFFFAOYSA-N	322.365	1.519	50	20	DDGD	
CCN(C[C@@H]1CCCO1)C(=O)NNC(=O)c1ccccc1C	275917501	POAKRNQOULSXOI-ZDUSSCGKSA-N	305.378	1.850	50	20	DDGD	
Cn1cc([C@H]2OCC[C@@H]2C(=O)NNc2ccc(F)cc2)cn1	275219732	BUTMEARIHPELDH-UONOGXRCSA-N	304.325	1.780	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)CC[C@@H](C)OC)cc1OC	272860105	RVLXSKZWNZWASF-LLVKDONJSA-N	324.377	1.670	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc(C(=O)NC2CC2)cc1	270179677	YMTAXSMWTHXUKK-UHFFFAOYSA-N	303.362	1.386	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1cnn(-c2ccccc2)n1	273401012	GHCDPKZJJCXJLG-UHFFFAOYSA-N	300.322	1.220	50	20	DDGD	
CC[C@@H](C)[C@@H](C)C(=O)NNC(=O)CNC(=O)c1cccs1	272576444	XKYAYQNKKUAMGE-NXEZZACHSA-N	311.407	1.308	50	20	DDGD	
CSSCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	286584006	WNPICOGTDYJXEM-UHFFFAOYSA-N	323.421	1.665	50	20	DDGD	
C[C@H](CF)NC(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	288428075	SOEKCJABQYSTIP-RKDXNWHRSA-N	317.748	1.796	50	20	DDGD	
CCc1ccc(C(C)(C)C(=O)NNC(=O)[C@@H]2CCCO2)cc1	294624637	KYTONLBQIQFKRM-AWEZNQCLSA-N	304.390	1.853	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)[C@@H]2COc3ccccc3O2)nn1	807945050	AQKCOLBBQWFAGM-AWEZNQCLSA-N	315.333	1.149	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)NCc1cnn(C)c1	298507068	BAWKFFXIJGVLJV-UHFFFAOYSA-N	323.788	1.813	50	20	DDGD	
Cc1nnc(CCNC(=O)NNc2ccc(Cl)nc2)s1	292365557	PAHHIQXSSBCMRH-UHFFFAOYSA-N	312.786	1.764	50	20	DDGD	
Cc1cc2ccccc2n1CC(=O)NNC(=O)[C@H]1CCCCO1	295661264	VXSJAZLAZCNLAM-OAHLLOKOSA-N	315.373	1.666	50	20	DDGD	
Cc1ccc(F)cc1NC(=O)C(=O)NNc1ncccc1F	807301677	NVDXQDQTVCEBBE-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
O=C(NNc1cnccn1)[C@H]1CC(c2c(F)cccc2F)=NO1	803119080	OKSCXLHMWCLADI-LLVKDONJSA-N	319.271	1.391	50	20	DDGD	
C[C@@H](Sc1nncn1C)C(=O)NNc1cccc(Cl)n1	293588230	BRRMRQPCHBFVGZ-SSDOTTSWSA-N	312.786	1.487	50	20	DDGD	
C#CCO[C@@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1OC	294505311	SETVQSSTPKVINA-VIFPVBQESA-N	310.737	1.148	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1nc([C@H](C)OC)ns1	809926523	YNALDLACVDYPCC-BQBZGAKWSA-N	301.372	1.444	50	20	DDGD	
COCCc1ccc(OC[C@H](O)CN2CC=C(C#N)CC2)cc1	293817482	ORVKPRQPKODCQE-QGZVFWFLSA-N	316.401	1.771	50	20	DDGD	
O=C(COC[C@H]1CCCO1)NNc1ccc2c(=O)[nH]ccc2c1	803427859	IEWVNTYWMUSSRQ-CYBMUJFWSA-N	317.345	1.167	50	20	DDGD	
CSC1(C=NNC(=O)[C@H](C)CN2C[C@@H](C)O[C@H](C)C2)CC1	800808826	RTLKYNQPAIOBHQ-JHJVBQTASA-N	313.467	1.729	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2cccc(F)n2)c(C)n1	807391189	JBHGJZGVBXJWKQ-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)NNc3ccccn3)[C@H]2C1	808359483	YWCJAAOTQXHDQQ-MELADBBJSA-N	317.393	1.355	50	20	DDGD	
O=C(COc1cccnc1)NNC(=O)Nc1cc(F)cc(F)c1	802005063	TUKZMNMNLXLYAJ-UHFFFAOYSA-N	322.271	1.592	50	20	DDGD	
CC(C)[C@](C)(O)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802117570	UQXCVDNXNPFKRA-HNNXBMFYSA-N	308.382	1.312	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)Nc1cccnc1	804030627	JVVRIHDGEMWQSB-UHFFFAOYSA-N	316.317	1.322	50	20	DDGD	
O=C(NNC(=O)c1cccnc1F)c1ccc(Cl)cc1O	806537475	ZWVORWHAORWODZ-UHFFFAOYSA-N	309.684	1.655	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H]1CCCN(CC(F)(F)F)C1	819104611	QGVOBSGCIJADKZ-SNVBAGLBSA-N	307.316	1.208	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@](C)(OC)C2CC2)c1	812455200	BREQQQCTZNEMFD-MRXNPFEDSA-N	321.377	1.070	50	20	DDGD	
Cc1nn(CC(=O)NNc2cnnn2C)cc1-c1ccccc1	816768885	LKLUYSSCOICWOB-UHFFFAOYSA-N	311.349	1.130	50	20	DDGD	
C[C@@H]1C(=NNC(=O)c2cnn(C)c2)CC[C@@H](C(=O)O)C1(C)C	814852470	ZZYXAMLVNBDJFB-KOLCDFICSA-N	306.366	1.663	50	20	DDGD	
COc1ccnc(NNC(=O)c2cnc3c(F)cccc3c2)n1	814295904	JYIGNTMBFCLLID-UHFFFAOYSA-N	313.292	1.929	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2CC[C@@H](C(=O)O)C[C@@H]2C)n1	814752754	BZOUWRPICJQGPJ-JOYOIKCWSA-N	306.366	1.493	50	20	DDGD	
CC(Cn1cccn1)=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1	814752845	GREBQRNVQRKTMU-UHFFFAOYSA-N	302.294	1.179	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)CC(C)(C)C3CC3)nc21	815607279	VCPUQIMZWSMSRB-UHFFFAOYSA-N	304.354	1.338	50	20	DDGD	
CC(=NNC(=O)COCc1ccccc1)c1cc(CO)on1	812226886	VWIRHTXFXUSOJE-UHFFFAOYSA-N	303.318	1.224	50	20	DDGD	
CN(NC(=O)[C@@H]1CCC[C@@H](C(=O)NN(C)C2CC2)C1)C1CC1	819646268	QGQLUAIMUMRFCI-VXGBXAGGSA-N	308.426	1.044	50	20	DDGD	
CO[C@@H](CC(C)C)CS(=O)(=O)NNC(=O)C1CCCC1	817354883	KFFVRRDQBMJCHS-LBPRGKRZSA-N	306.428	1.188	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cccc(CO)c1	813509076	SHFKRVJKLDASGN-UHFFFAOYSA-N	300.314	1.722	50	20	DDGD	
CCc1c(C(=O)NNc2nc(-c3ccccc3)no2)cnn1C	728079893	MFDRYZHDCIVVCD-UHFFFAOYSA-N	312.333	1.789	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CN2CCc3ccccc32)c1	728870839	HOUGYIFIKQPUOC-UHFFFAOYSA-N	320.352	1.382	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)COc2ccccc2CC)cn1	728958907	WBWRYAWTVRWSBK-UHFFFAOYSA-N	323.352	1.465	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(NC(=O)CC(C)C)c(C)c1	823859798	ABCQFQCXALRMFW-UHFFFAOYSA-N	321.421	1.939	50	20	DDGD	
CCO/C=C\C(=O)NNc1nc2ccccc2c(=O)n1CC	493394044	COGXQTFJDTUZSR-KTKRTIGZSA-N	302.334	1.410	50	20	DDGD	
O=C(NC[C@H]1COCCO1)NNc1ccc(OC(F)F)cc1	726706903	JXRJURPEPNBEDM-NSHDSACASA-N	317.292	1.330	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@@]3(O)CCSC3)nc12	828362285	GHDCBUWMFBUJES-CYBMUJFWSA-N	309.416	1.916	50	20	DDGD	
CCOC(=O)Nc1ccc(NC(=O)NNC(=O)OC)cc1C#N	493832544	XOYCDSQSVUVQEA-UHFFFAOYSA-N	321.293	1.519	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1ccc(C#N)cc1Cl	495190535	OQAGXKIRRNVODQ-UHFFFAOYSA-N	303.727	1.151	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1	826649139	ZWLDMTBRGVAKBK-NZPIUUIZSA-N	321.352	1.437	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cnc(Cc2ccccc2F)s1	823935628	UMOABSWYBYVNTM-SNVBAGLBSA-N	323.393	1.830	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1cnnc2ccccc12)C(C)(C)C	825835075	BFOHESGZLDGNTG-CQSZACIVSA-N	315.377	1.624	50	20	DDGD	
COc1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c(C)c1	826187421	PGSTXXJYYDRTSH-UHFFFAOYSA-N	324.344	1.941	50	20	DDGD	
CCOC(=O)NN=Cc1c(C)nn2c(=O)c3ccccc3[nH]c12	490787902	QSKSKFHDKGXVPV-UHFFFAOYSA-N	313.317	1.564	50	20	DDGD	
CC(C)C[C@@H]1CCCCN1C(=O)c1cc(B(O)O)ccc1F	584957640	HGHPTNNOKJKGDZ-ZDUSSCGKSA-N	307.174	1.546	50	20	DDGD	
CCOC(=O)NNC(=O)c1cccc(Nc2ccc(C)nn2)c1	496194176	NUKFEIBCIRNCDY-UHFFFAOYSA-N	315.333	1.920	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccccc1	825595427	QSXVABKSIAOGPY-UMVBOHGHSA-N	319.405	1.936	50	20	DDGD	
CC(C)[C@@H]1N(C(=O)c2cc(B(O)O)ccc2F)CC12CCC2	584993101	VZBAECZRHHTYDL-AWEZNQCLSA-N	305.158	1.156	50	20	DDGD	
Cc1cccc2sc(NNC(=O)C3(O)CCOCC3)nc12	828358766	QYWBQECNLSWZBX-UHFFFAOYSA-N	307.375	1.589	50	20	DDGD	
CS(=O)(=O)/C(C#N)=C\c1ccc(OC(F)(F)C(=O)O)cc1	730730309	WWOXUTQFOYMIGO-POHAHGRESA-N	317.269	1.652	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC(C)(C)c1ccc(OC)cc1	731284419	RXJAQSGJLJPEFG-UHFFFAOYSA-N	323.393	1.340	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCCCCc2ccccc2)cn1	735513154	UWBJTIOWPZMLHD-UHFFFAOYSA-N	315.377	1.387	50	20	DDGD	
O=C(CSc1nc2ccccc2s1)N1CC[C@H](B(O)O)C1	585075092	PTRDJAAEJVTSEG-VIFPVBQESA-N	322.220	1.464	50	20	DDGD	
CC(C)(C)OC(=O)NCC1(C(=O)NNc2ccncn2)CC1	496412559	BOTONVHKHGDAGG-UHFFFAOYSA-N	307.354	1.225	50	20	DDGD	
C#C[C@@H](CC)NC(=O)NNC(=O)c1cccc(Br)c1	491621384	GWPLIEURSCMVOJ-NSHDSACASA-N	324.178	1.805	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cc2n(n1)CCCC2	830610052	UNKUWKPNRRNYIW-UHFFFAOYSA-N	300.366	1.890	50	20	DDGD	
O=C(NNc1ncccc1F)N[C@@H]1C[C@@H]2CCCCN2C1=O	836693046	ZKTARSZLSPWSPE-GXSJLCMTSA-N	307.329	1.000	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cnn(C(C)(C)C)c1	831506018	OGQHBOFEIPDUQT-GXSJLCMTSA-N	309.370	1.216	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)[C@H]1CCCCO1)C1CCOCC1	838503182	RNCCHFVPKYPCSN-QWHCGFSZSA-N	313.398	1.091	50	20	DDGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CC[C@@](F)(C(=O)O)C1	833062504	MPIJKNYMTYXMMP-CLUXPMKYSA-N	305.265	1.958	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)Cc1ccc(F)cc1)c1cnn(C)c1	839473459	GGCFNIJONTTYLX-NSHDSACASA-N	318.352	1.443	50	20	DDGD	
CO[C@@H]1CC(=NNC(=O)[C@H]2COc3ccccc3O2)C12CCC2	834918345	UGEVQAMMIZMWAJ-UKRRQHHQSA-N	316.357	1.888	50	20	DDGD	
C[C@]1(C(=O)N2CCN(c3ccncc3)CC2)C[C@H]1Br	905360089	SHCSHJXFTLFVOP-OCCSQVGLSA-N	324.222	1.904	50	20	DDGD	
OB(O)c1cccc(CN[C@@H](CC(F)F)c2ccccc2)c1	585048936	YMCLUMXPBAXQRL-HNNXBMFYSA-N	305.133	1.853	50	20	DDGD	
C[C@@H]1Oc2cc(F)ccc2[C@H]1NCc1ccccc1B(O)O	585039748	BHIMPHPEQJPOCH-QFYYESIMSA-N	301.126	1.117	50	20	DDGD	
CCCn1c(C=NNC(=O)NCC(=O)O)nc2ccccc21	833652852	PBPQFBMXFKBEPB-UHFFFAOYSA-N	303.322	1.164	50	20	DDGD	
COCCOCc1cccc(NCc2ccccc2B(O)O)c1	585012257	RKYUTHASHCRCTM-UHFFFAOYSA-N	315.178	1.142	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@H]32)o1	585049675	TYRPEBPMXHIGET-NWANDNLSSA-N	303.554	1.041	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@H](C)c1nc(-c2ccc(B(O)O)cc2)no1	585054435	LYNAZPHTRVKWNC-GRYCIOLGSA-N	315.182	1.350	50	20	DDGD	
CN(C)c1nc(Cl)c(C=NNC(=O)c2cnn(C)c2)s1	735411204	QMZHPCXKIUIEBW-UHFFFAOYSA-N	312.786	1.360	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=C1CCn2ccnc21	834927509	KXBNOSVVVPECBA-UHFFFAOYSA-N	322.372	1.719	50	20	DDGD	
O=C(O)[C@H]1CCC[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2)C1	833183886	LOISFDUZIYTKHC-UWVGGRQHSA-N	307.306	1.929	50	20	DDGD	
CO[C@@](C)(CNC(=O)NNc1ccncn1)c1ccccc1	836594550	WNJOLONFSDHJSX-HNNXBMFYSA-N	301.350	1.665	50	20	DDGD	
CSC[C@H](C)NC(=O)NNc1cccc(-c2nn[nH]n2)c1	737175948	JVJYJXWSHPKDSJ-QMMMGPOBSA-N	307.383	1.244	50	20	DDGD	
Cc1nn(-c2cccc(F)c2)cc1C(=O)NNC(=O)C1CCC1	839679574	IALQSCHJSGEYKK-UHFFFAOYSA-N	316.336	1.881	50	20	DDGD	
CC(C)(C)n1nnc(CNC(=O)[C@@]2(C)C[C@@H]2Br)n1	912048021	PERPAADJCATZFY-CPCISQLKSA-N	316.203	1.218	50	20	DDGD	
Cc1c(C(=O)NN(C)C[C@@H](C)O)nnn1-c1ccccc1Cl	910165764	MXCRBVLRRINOFX-SECBINFHSA-N	323.784	1.187	50	20	DDGD	
COCC[C@H](Cc1ccco1)NC(=O)NNc1ccncn1	836392447	GDHGNKQCIQMBPO-LLVKDONJSA-N	305.338	1.344	50	20	DDGD	
CC(C)(C)n1nnc(CNC(=O)[C@]2(C)C[C@H]2Br)n1	912048024	PERPAADJCATZFY-RDDDGLTNSA-N	316.203	1.218	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNc1cccc2cnccc12	839709583	SBVGYKSYNNCEQY-CYBMUJFWSA-N	300.362	1.826	50	20	DDGD	
C[C@@H](C(=O)NNc1ncc(F)cn1)N(C)C(=O)OC(C)(C)C	831352437	YDXROSCKNNMUQX-QMMMGPOBSA-N	313.333	1.314	50	20	DDGD	
C[C@H](NC(=O)O)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	833739706	ONNROEVEACGMMG-HMHCLHNZSA-N	323.393	1.396	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	910161397	YVZDJEAGIGXKRD-UXCLJVHYSA-N	305.216	1.284	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1cccc2c1OCO2	917361636	ORHWOKCWKKGWRY-UHFFFAOYSA-N	316.288	1.558	50	20	DDGD	
C#CCOc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	831448433	XEEFOQNARZIUKK-SMDDNHRTSA-N	317.345	1.276	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=Cc2ccc(O)cc2)c1	915052332	PFSLSLRYSVNLCO-UHFFFAOYSA-N	318.354	1.560	50	20	DDGD	
C[C@]1(C(=O)NNc2ncnc3[nH]cnc23)CCc2ccccc2C1	743470084	NCNAWLQLYGWRNY-KRWDZBQOSA-N	322.372	1.991	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC[C@@H](OCC)C1CCCC1	747591518	BYMXMVZOWKDSKZ-CYBMUJFWSA-N	315.414	1.339	50	20	DDGD	
CCC(N)(CC)CNC(=O)NNc1ccc2c(=O)[nH]ccc2c1	841951717	JKPAXESXOLXICH-UHFFFAOYSA-N	317.393	1.672	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)[C@@H]1CC12CCCC2	747307007	FAYXNGUSUDWZIJ-AWEZNQCLSA-N	302.374	1.931	50	20	DDGD	
O=C(NCC1=CCNCC1)[C@@]12CC[C@@H](C[C@@H]1Br)C2	846678063	QEZFBXPQRMFQAR-SGMGOOAPSA-N	313.239	1.976	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCCC2=O)cc1Cl	913730794	JLPAIQHWQVPVPI-UHFFFAOYSA-N	309.753	1.032	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccccc1NC(=O)OC(C)(C)C	910160023	FFIBHZDDFHKHHU-LLVKDONJSA-N	323.393	1.991	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cccc2cccnc12)[C@@H](C)O	842230655	XFXQTOZQKSVGTK-ZYHUDNBSSA-N	301.346	1.403	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1ccc(OCC)cc1	915884430	ZBVVLFCHQNKBBB-UHFFFAOYSA-N	315.395	1.378	50	20	DDGD	
CO[C@H](CS(=O)(=O)NNC(=O)CC(C)C)C1CCCCC1	849304259	PEFQOTTWLWSWNK-CYBMUJFWSA-N	320.455	1.578	50	20	DDGD	
CCc1ncsc1C(=O)NNC(=O)COc1ccc(F)cc1	749901190	DQNRMBOXSWSDQT-UHFFFAOYSA-N	323.349	1.685	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCCc1cccnc1	914536463	XZGUEYFOPAXWQT-UHFFFAOYSA-N	316.336	1.336	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2n[nH]c3c2CCC3)o1	746525454	JBPBIKRBLFPBDH-UHFFFAOYSA-N	300.322	1.638	50	20	DDGD	
CCCN1CCC[C@@H](C(=O)NNC(=S)N[C@H](C)C2CC2)C1	912160529	MGLADWJUTJTMRL-DGCLKSJQSA-N	312.483	1.402	50	20	DDGD	
COc1ccc(Br)c(NNC(=O)[C@H](O)C(C)C)c1	840550772	LWMQPNUJBJHGTJ-LLVKDONJSA-N	317.183	1.918	50	20	DDGD	
CC[C@]1(C(=O)NNc2ncc(Br)cn2)CCCN1	848436519	UNGJSCUSXBTQBS-LLVKDONJSA-N	314.187	1.214	50	20	DDGD	
Cc1nc2cc(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)ccc2o1	843658277	UFYVUHKAPOAMBS-LDYMZIIASA-N	303.318	1.322	50	20	DDGD	
COCCN(C)NC(=O)[C@]1(C(=O)OC(C)(C)C)CC=CCC1	846121725	DOTFXTBYFPMZIT-INIZCTEOSA-N	312.410	1.664	50	20	DDGD	
O=C(NCCC1=CCNCC1)NNc1ncnc2ccsc12	841988048	FCJZCLRTRHEWGG-UHFFFAOYSA-N	318.406	1.627	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	848081301	RNIKYLIIXNZCGP-UHFFFAOYSA-N	316.144	1.092	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NN=Cc2cnn(C)c2)c1C	917212265	XDCAWTJKSRJYKV-ZDUSSCGKSA-N	300.362	1.955	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNc1cc(O)nc2ncccc12	913994929	YXLAEWXTRJJNNF-SNVBAGLBSA-N	304.350	1.984	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N[C@@H](CN)C2CCCC2)c1	841988312	UMYIIDLGTSOKNQ-AWEZNQCLSA-N	315.377	1.020	50	20	DDGD	
Cc1c(NNC(=O)[C@H](O)c2cccnc2)cccc1[N+](=O)[O-]	749289907	VQCCWYXRQIMNLU-CYBMUJFWSA-N	302.290	1.475	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc(N(C)C)cc1C	841624875	GKGJWTUXKUXUMU-UHFFFAOYSA-N	318.421	1.816	50	20	DDGD	
O=C(NC[C@H]1CCCCN1)NNC(=O)c1c[nH]c2ccccc12	841921807	LOGAYDJVOXEUQD-LLVKDONJSA-N	315.377	1.254	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Cc1nonc1C)c1ccccc1	845480415	CEHYGDWGEAIZBS-LBPRGKRZSA-N	302.334	1.262	50	20	DDGD	
CCn1c(C(C)=NNC(=O)N2CCOCC2)nc2ccccc21	741459639	FROYHWOGJKYMAU-UHFFFAOYSA-N	315.377	1.822	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cnc(C2CC2)s1	740850988	JPIZECCCOPOFJV-UHFFFAOYSA-N	324.406	1.086	50	20	DDGD	
Cc1ncsc1C=NNC(=O)c1nnc(O)c2ccccc12	743426157	ABMDNCQLAACXGJ-UHFFFAOYSA-N	313.342	1.864	50	20	DDGD	
O=C(NC[C@H]1COCO1)NNc1cccc(Cl)c1Cl	923845163	UTWGGTCGADERNN-ZETCQYMHSA-N	306.149	1.992	50	20	DDGD	
C[C@@H](Cc1ccc(F)cc1)C(=O)NNC(=O)NCC(F)(F)F	921092404	YHEJEORVANJKFA-QMMMGPOBSA-N	321.274	1.897	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnn(-c2cccnc2)c1	759749038	MJGPDYLUAFDGIA-UHFFFAOYSA-N	302.338	1.011	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2c(C)c(C)nn2C)cc1F	850704385	ABZHBFDJLNYRIB-UHFFFAOYSA-N	319.340	1.566	50	20	DDGD	
CN1CCCC[C@H](CNC(=O)NNC(=O)c2ccccc2)C1	858117143	BEJAUXJKRVPHEL-CYBMUJFWSA-N	304.394	1.363	50	20	DDGD	
COc1cncc(C=NNC(=O)[C@@H](C)CN2CCCCC2)c1	853278729	HCLWGFNEBUVJRP-ZDUSSCGKSA-N	304.394	1.662	50	20	DDGD	
COC(=O)Cc1csc(NC(=O)NNc2ccccn2)n1	920930568	QHDTVSMARAQUOO-UHFFFAOYSA-N	307.335	1.402	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1)c1cnn(C)c1	920826341	DUDHMCLGKXYNGT-AGIUHOORSA-N	321.425	1.006	50	20	DDGD	
C[C@@]1(CNC(=O)N2C[C@@H]3CNC[C@@H]3C2)C[C@@H]1Br	857104734	AFMADURCQYSTJK-WYFGTUCQSA-N	302.216	1.021	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)c2c[nH]c3ccccc23)[C@H]1C	858158358	HOSCJOVUZKDWDC-KIGUWFBYSA-N	315.373	1.988	50	20	DDGD	
O=C(COC1CCOCC1)NNc1ccc(C(F)(F)F)nn1	755189575	SFVNRUBEMCQJKB-UHFFFAOYSA-N	320.271	1.134	50	20	DDGD	
CC[C@@](O)(C(=O)NN(C)C(=S)NC)c1cccc(Cl)c1	854921755	ZKITYOCKUHHYSN-ZDUSSCGKSA-N	315.826	1.405	50	20	DDGD	
CC(=O)N(C)c1ccc(NC(=O)NNC(=O)CC2CC2)cc1	756262270	QTCYUYRENUXDGY-UHFFFAOYSA-N	304.350	1.622	50	20	DDGD	
CCC(=NNC(=O)Cc1cn2ccccc2n1)c1nccn1C	755752345	CSRSANFLBLENEO-UHFFFAOYSA-N	310.361	1.541	50	20	DDGD	
O=Cc1cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cs1	754977512	PEZFYNBKBXUHKD-UHFFFAOYSA-N	319.298	1.544	50	20	DDGD	
Cc1ccc(NNC(=O)NCC2(S(C)(=O)=O)CC2)cc1F	854032006	PLFUWYICYBGXPO-UHFFFAOYSA-N	315.370	1.337	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)c2cccc(F)n2)C[C@H](C)O1	852709071	BGPJNEXTBXNXNV-UWVGGRQHSA-N	310.329	1.074	50	20	DDGD	
COC1(CNC(=O)NNc2ccc(Cl)cn2)CCOCC1	852222268	ZZQRQCCSDHOOFK-UHFFFAOYSA-N	314.773	1.557	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)C1CC1	855830643	NBDZDFMXDWFBDN-ZHACJKMWSA-N	309.410	1.433	50	20	DDGD	
Cc1nn(C)c(C)c1CNC(=O)NNc1ccc(Cl)cn1	852181565	CUTGRNGNEKXTGU-UHFFFAOYSA-N	308.773	1.912	50	20	DDGD	
COc1cc(NC(=O)NC[C@]2(C)C[C@H]2Br)ncn1	856848179	CPHITFUASKSAEW-HQJQHLMTSA-N	315.171	1.780	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccc(O)c(Cl)c1	855093478	TXPZTJDJGSXITF-UHFFFAOYSA-N	313.810	1.955	50	20	DDGD	
CCOC1CCC(=NNC(=O)CNC(=O)c2cccnc2)CC1	853317580	DWCAQTHBZKNKBD-UHFFFAOYSA-N	318.377	1.263	50	20	DDGD	
O=C(NNC(=O)N1CCCc2sccc2C1)c1cn[nH]c1	858703991	BVHFOECUWRFZRN-UHFFFAOYSA-N	305.363	1.274	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cc(C)ccc1C(F)(F)F	850409086	KFRUZBVGPIYPOM-UHFFFAOYSA-N	317.267	1.510	50	20	DDGD	
O=C(CCC[C@H](O)c1ccccc1)NNC(=O)c1ccc[nH]1	854278622	ZUXZKVASJLRJMH-AWEZNQCLSA-N	301.346	1.680	50	20	DDGD	
C[C@]1(CNC(=S)NCc2ccon2)C[C@H]1Br	857203802	CQUOAEXFEJWFIU-PSASIEDQSA-N	304.213	1.812	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)NC1CC(F)(F)C1	759782666	IZDJXHPOHWRTHW-UHFFFAOYSA-N	317.267	1.333	50	20	DDGD	
Cn1cc(C#N)c(NC(=O)NNC(=O)c2cc3ccccc3o2)n1	756871243	OEAWSCHBCLRPQQ-UHFFFAOYSA-N	324.300	1.504	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1C	756832099	AQCUUKTVSIIPNM-UHFFFAOYSA-N	306.322	1.669	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)OC[C@H](CBr)C1CC1	859541073	QMQNQRVOTWALDR-JTQLQIEISA-N	306.200	1.865	50	20	DDGD	
CCOC1(C(=O)NNc2ccc([N+](=O)[O-])cc2C)CCOCC1	854457226	CRTBZSOISUNNQQ-UHFFFAOYSA-N	323.349	1.932	50	20	DDGD	
CCCN1CCC[C@H]1CNC(=O)NNc1ncc(Cl)cn1	856902889	WSWXLAMVBFIXJF-NSHDSACASA-N	312.805	1.631	50	20	DDGD	
COCC(C)(C)C=NNC(=O)CSc1nc(C)cc(C)n1	754910665	QUZKBMQKGQEWEF-UHFFFAOYSA-N	310.423	1.960	50	20	DDGD	
CCc1ccc(C(=O)NNC(=S)NCC2CCC2)c(O)c1	855089576	WZOQWSVVADEJHX-UHFFFAOYSA-N	307.419	1.864	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1cc(C(N)=O)cs1	755886841	PRLBSXBTMKFJAA-LLVKDONJSA-N	322.434	1.419	50	20	DDGD	
CCOC(=O)N[C@@H](C(=O)NNc1ccc(Cl)cn1)C(C)C	856095186	GTBBQJBNBPWPOC-LLVKDONJSA-N	314.773	1.949	50	20	DDGD	
C=C[C@H](O)C(=O)NNC(=O)c1ccc(OCCC(C)C)cc1	854198405	HAZJVSFIHAJSNM-AWEZNQCLSA-N	306.362	1.419	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCCNc1cnccn1	866593438	YBDPHSNBJLJARL-UHFFFAOYSA-N	306.819	1.073	50	20	DDGD	
CCOC(=O)c1cc(C(=O)NN[C@H](C)C(F)(F)F)[nH]c1C	862321117	RSFCRTPRKZTDPM-SSDOTTSWSA-N	307.272	1.685	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H]2CCSC2)cn1	762178676	LJAIMWNLRNAASP-MRVPVSSYSA-N	312.420	1.161	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCC(=O)N1)c1ccc(OC(C)C)cc1	863145469	JKECBILOMOXXFH-CQSZACIVSA-N	303.362	1.593	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(OC)c1C	861804305	NZSOLNOSBBOVST-VIFPVBQESA-N	307.350	1.136	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNC(=O)c2ccccc2F)n1	864444532	FOAAAHCCVPEUQW-JTQLQIEISA-N	304.325	1.428	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H](C)N2CCc3ccccc3C2)cc[nH]1	862511568	ULBKWGUPIODANT-AWEZNQCLSA-N	310.401	1.702	50	20	DDGD	
CN1CCN(CC(=O)NNc2ccc(F)c(Cl)c2)CC1	863081146	ZJFGTVCYOKWJPV-UHFFFAOYSA-N	300.765	1.170	50	20	DDGD	
COC(=O)c1cc(C)cc(C(=O)NN[C@@H](C)C(F)(F)F)c1	862322063	DXDZHEZBJXETIE-QMMMGPOBSA-N	304.268	1.967	50	20	DDGD	
CN(N=Cc1ccc(Br)cc1[N+](=O)[O-])C(N)=O	767905102	VHMVZLFZLLEVRD-UHFFFAOYSA-N	301.100	1.702	50	20	DDGD	
CC(=O)N[C@@](C)(C(=O)NNC(=O)CCc1ccccc1)C(C)C	931350062	RGONZGOFPRFPQS-QGZVFWFLSA-N	319.405	1.317	50	20	DDGD	
Cc1cc(C)n(CCCC(=O)NNc2nc3ccccn3n2)n1	935620123	DEIRNDFLRJXUIR-UHFFFAOYSA-N	313.365	1.466	50	20	DDGD	
CCN(CC)c1ccc(CNCc2ccc(B(O)O)cc2)cc1	863888421	DKTGQWPBXFMWBZ-UHFFFAOYSA-N	312.222	1.502	50	20	DDGD	
O=C1NCCc2ccc(S(=O)(=O)NCC(Cl)Cl)cc21	867470900	YXZJQNDGLAKHFR-UHFFFAOYSA-N	323.201	1.055	50	20	DDGD	
CC(C)(C)N1C[C@H](C(=O)NNc2nc3ccccc3[nH]2)CC1=O	768505258	WTJTWSZZBXWWQV-SNVBAGLBSA-N	315.377	1.653	50	20	DDGD	
Cc1cnccc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	769718474	NVJWBZYVZRIQDG-UHFFFAOYSA-N	300.274	1.373	50	20	DDGD	
C[C@@H](NNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)C(F)(F)F	862306612	MWCLCJOPOWNIRG-HZGVNTEJSA-N	319.258	1.823	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C=NNC(=O)c2ccccn2)c1C	863064037	CBUDOINTZDYDBJ-UHFFFAOYSA-N	314.345	1.967	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cn(-c2ccc(F)cc2)nn1	863122656	KYNGDSISWVMIRB-IINYFYTJSA-N	317.324	1.282	50	20	DDGD	
Cc1cccc(-n2ncc(C(=O)NNC(=O)C(C)(C)O)c2C)c1	768256542	RZAWRIGJMDBXMA-UHFFFAOYSA-N	316.361	1.021	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCN(CC#N)CC1	768172430	XBDKGOYNUQCVAP-SNVBAGLBSA-N	302.216	1.464	50	20	DDGD	
Cc1ccc([C@@H](C)[C@H](O)C(=O)NNC(=O)c2ccccn2)cc1	764580463	DCPCXEYSGLLUBS-DOMZBBRYSA-N	313.357	1.316	50	20	DDGD	
O=C(CCCNC(=O)C1CC1)NNCC(F)(F)C(F)(F)F	863093664	WVTFDJPYOVUGFC-UHFFFAOYSA-N	317.258	1.111	50	20	DDGD	
COc1nccnc1NNC(=O)c1ncc(C#N)cc1Cl	764460922	SMPVJUHDEHAJMT-UHFFFAOYSA-N	304.697	1.162	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2ccc(-n3cncn3)c(F)c2)n[nH]1	764797691	UHJPETWIZJYHCC-UHFFFAOYSA-N	313.296	1.202	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C2CCOCC2)cc1CC	1119600372	GZPZLCAJNALNJM-UHFFFAOYSA-N	304.390	1.999	50	20	DDGD	
Cc1ccc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])cn1	764895543	FHMFLXFZNLWQAK-UHFFFAOYSA-N	314.301	1.827	50	20	DDGD	
COc1ccc(CC(=O)NNc2cc(C)nc(C)n2)cc1O	878895599	IJEICLVIDRWAQX-UHFFFAOYSA-N	302.334	1.493	50	20	DDGD	
C[C@H]1CC[C@H](C(=O)NNc2nc3ccccc3c(=O)n2C)C1	776476755	NRRZVWQHHRMPIP-QWRGUYRKSA-N	300.362	1.813	50	20	DDGD	
O=C(COCC1CCCC1)NNC(=S)Nc1ccccn1	874956409	WMZJJHFWMPABCI-UHFFFAOYSA-N	308.407	1.606	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(C(=O)N(C)C)cc1OC	878880012	ZTGVDYHNRYPYOV-UHFFFAOYSA-N	324.381	1.012	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2ccc3c(c2)COC3)o1	770036721	WRGQJJNXBPIZPP-UHFFFAOYSA-N	315.329	1.762	50	20	DDGD	
C[C@@H]1C[C@@H](CNC(=O)NNC(=O)CCc2ccccc2)CCO1	770825129	ACESTUVCBAVVNM-HIFRSBDPSA-N	319.405	1.765	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1cccc(OCCOC)c1	772223091	YVEIYXJWBVGBBA-UHFFFAOYSA-N	323.393	1.385	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCc2c(C)cc(C)cc2C1	776856468	RQYMGIGQEVZUPN-ZDUSSCGKSA-N	303.406	1.607	50	20	DDGD	
CCn1c(NNC(=O)c2ccncc2C)nc2ccccc2c1=O	771125840	YIYHDDDKCZWVKI-UHFFFAOYSA-N	323.356	1.877	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccn(CC(F)(F)F)n2)n1	1120543653	FBMDRLFDRSEPLT-UHFFFAOYSA-N	314.271	1.609	50	20	DDGD	
COC(=O)C1(NS(=O)(=O)CCCCl)CCCCCC1	881775860	PQUXZHURHOUIIK-UHFFFAOYSA-N	311.831	1.801	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)O[C@@H]2CCCN(C)C2=O)cc1	778745884	IPPZWKGJKWTUDN-VSKPTYQZSA-N	314.341	1.766	50	20	DDGD	
C#CCCCCCC(=O)NNC(=O)Cn1cnc2ccccc21	779868205	WMRGGJSXZMKLRJ-UHFFFAOYSA-N	312.373	1.767	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@@H]2C[C@H]3CC[C@H]2O3)cc1O	882051232	OVJCIRYPFWYMAY-OUCADQQQSA-N	304.346	1.419	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cccc(OC(F)F)c1	779820527	DFCQPWNLHUYYNU-UHFFFAOYSA-N	301.249	1.094	50	20	DDGD	
O=C(NN=Cc1ccc(F)nc1)[C@H]1COc2ccccc2O1	777422272	XAYGSJOLRAMBTB-CYBMUJFWSA-N	301.277	1.511	50	20	DDGD	
O=C(C[C@@H]1CCS(=O)(=O)C1)NNc1ccc(F)cc1Cl	885135382	BOFSOTYTDCWPJD-QMMMGPOBSA-N	320.773	1.747	50	20	DDGD	
CCCN(CCC)CCCNS(=O)(=O)CBr	782434643	LOLZRXJYSUDOHF-UHFFFAOYSA-N	315.277	1.770	50	20	DDGD	
C[C@@H]1C(=NNC(=O)CNC(=O)c2cccnc2)CCC[C@H]1C	781125903	WCNHGBKZHHISKG-NEPJUHHUSA-N	302.378	1.740	50	20	DDGD	
CCOc1nc2cc(NC(=O)NN(C)CCOC)ccc2o1	1123437044	GQRMOSGPQLGGCG-UHFFFAOYSA-N	308.338	1.841	50	20	DDGD	
CSC1(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CCC1	782086276	JDCGQFFYAJNSNX-UHFFFAOYSA-N	322.386	1.505	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)CCC(C)(C)O)c1	786636631	JTUNOEFRQFKOHN-UHFFFAOYSA-N	308.378	1.381	50	20	DDGD	
CC1(C)CCC1=NNC(=O)Cc1csc(N2CCOCC2)n1	788980687	LZUHICPJKYGNAY-UHFFFAOYSA-N	322.434	1.814	50	20	DDGD	
COc1ccccc1NC(=O)C(=O)NNc1cncc(Cl)n1	783258212	CRKJRPGYUWCVRP-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)c2ccnn2C)c1	788255793	YWNDKSSJFMBTRA-UHFFFAOYSA-N	302.338	1.271	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)/C=C(\C)Cl)cc1OC	899957661	OGDAIKFFHCYABZ-VQHVLOKHSA-N	312.753	1.998	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCCn1cnc2ccccc2c1=O	786673482	HNLSFOZOVTZOJD-UKTHLTGXSA-N	309.325	1.800	50	20	DDGD	
CC(=O)N1CCCN(C[C@@H](CBr)C2CC2)CC1	701844180	VIDOGBRVUJYHRU-CYBMUJFWSA-N	303.244	1.962	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cccc2c1CCO2	793078655	PAPWSXXGYFDNRN-UHFFFAOYSA-N	312.416	1.687	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1	790178639	GKZJZXYHJKPZLO-UHFFFAOYSA-N	305.338	1.276	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)n1C	899947989	BWIPWAPQURYDKQ-SECBINFHSA-N	320.324	1.096	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1cc(C(=O)N(C)C)ccn1	794273745	GYOIXTSWYDYKIA-UHFFFAOYSA-N	314.349	1.635	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccnn2C)c2ccccc2n1	799010376	ZHJRILKLBBEKAM-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
COc1cc(C)c(/C=C(\C#N)S(=O)(=O)N(C)C)cc1OC	794957422	PYGKHYSVMAKQKB-KPKJPENVSA-N	310.375	1.768	50	20	DDGD	
COc1cccc(C=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)n1	790152004	XUBHFHJWTZWUCM-UHFFFAOYSA-N	315.289	1.345	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccc(-c2nnc(C)o2)c1	798305393	ZGGJCDLFFAXTMB-UHFFFAOYSA-N	317.374	1.340	50	20	DDGD	
CCCCNC(=O)NN=Cc1ccc(O[C@H](C)C(=O)O)cc1	794903914	TXFVKBFIEJAFAQ-LLVKDONJSA-N	307.350	1.972	50	20	DDGD	
Cc1nnc(NNC(=O)CC2CC(c3ccccc3)C2)nc1O	799098485	LBEUAVFNJDYXQW-UHFFFAOYSA-N	313.361	1.913	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)Cn1ccc2ccccc21)C1CC1	791572401	FIYJUVNKAXHVBA-HNNXBMFYSA-N	301.346	1.214	50	20	DDGD	
O=C(CSCC(=O)OCc1ccccc1)NNC(=O)C1CC1	794441906	GEVDQPCRQFYONG-UHFFFAOYSA-N	322.386	1.020	50	20	DDGD	
COc1cccc(C2=NO[C@@H](C(=O)NNc3ncccn3)C2)c1	792047961	ZTVRPKSLTNBDIA-CYBMUJFWSA-N	313.317	1.122	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1cccc(C)n1)C1CCOCC1	793074639	TYXVZKJLBPQORJ-ZDUSSCGKSA-N	320.393	1.539	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1	791225901	ULFZRSKNVAWFEG-GFCCVEGCSA-N	302.378	1.624	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc3ccccc3oc2=O)n1	794081038	ZKKCVVMPVCQPIF-UHFFFAOYSA-N	323.308	1.571	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNC(=O)c1cncn1-c1ccccc1	1317977851	KFFSNLQQWAMHJD-AWEZNQCLSA-N	316.361	1.448	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1	1318771087	FQQZTFUKSWJMQV-UHFFFAOYSA-N	306.322	1.697	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cncnc2C(C)C)cc1	1323086632	BHJCHNABKQYHRR-UHFFFAOYSA-N	314.345	1.683	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)c(C(C)C)n1	1325278513	OHRMORNDDCXHPS-CYBMUJFWSA-N	305.378	1.844	50	20	DDGD	
CC(=NNC(=O)c1n[nH]c2c1CCCC2)c1cc2n(n1)CCC2	1327460196	KIUWBYBQNOHTGJ-UHFFFAOYSA-N	312.377	1.585	50	20	DDGD	
C[C@H](C(=O)NNc1nncc(N)c1Cl)N1CCCCCC1	1324009193	LWIHAYMSQCPUIO-SECBINFHSA-N	312.805	1.420	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)C1CCNCC1)SC	1326123884	UJHCWJMEDVLQQD-UHFFFAOYSA-N	316.471	1.238	50	20	DDGD	
Nc1cnnc(NNC(=O)CCCC2CCOCC2)c1Cl	1321200117	UEJOCCDQMACGEM-UHFFFAOYSA-N	313.789	1.752	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1	1255918095	APULTYLAVMMLKZ-UHFFFAOYSA-N	318.417	1.934	50	20	DDGD	
COc1ccc(CCCC(=O)NNc2ccn(C)n2)cc1OC	1331638806	XCFBIDCZXJXDDY-UHFFFAOYSA-N	318.377	1.903	50	20	DDGD	
O=C(NCC[C@H]1C[C@H]2CC[C@H]1C2)NNC(=O)C1CCNCC1	1331451694	FBDKXDLNTMFNTB-UBHSHLNASA-N	308.426	1.143	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cc1c[nH]c2cnccc12)C1CC1	1330817901	PVLAFMLJGBNIQR-SECBINFHSA-N	317.418	1.399	50	20	DDGD	
Nc1cnnc(NNC(=O)NC[C@H]2Cc3ccccc32)c1Cl	1253130761	ANXNMKFQXRIGAQ-SECBINFHSA-N	318.768	1.678	50	20	DDGD	
Cc1c(CC(=O)OC[C@]2(C)C[C@H]2Br)cnn1C	1263537780	XUPGCIFECGHWPO-PWSUYJOCSA-N	301.184	1.988	50	20	DDGD	
CC(C)CN1CCC[C@@H]1C(=O)NNC(=S)NCC1CCC1	1336552699	YYVVNTQVMCVSMH-CYBMUJFWSA-N	312.483	1.402	50	20	DDGD	
CN(NC(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CC1	1345628164	FTHAXHZAPUBJPX-ZDUSSCGKSA-N	316.405	1.127	50	20	DDGD	
CC1(C)C[C@@H](C(=O)NNc2ccc(-n3ccnc3)nn2)CCO1	1358227310	GRNYUHSBAOYFFJ-NSHDSACASA-N	316.365	1.311	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)C2CN(CC(F)F)C2)cc1F	1602384229	DIGOISAVMUKEHX-UHFFFAOYSA-N	317.267	1.164	50	20	DDGD	
Cc1c(NNC(=O)CN2CCCCCC2=O)cccc1C(=O)O	1600053056	ZATJJXHHJBVOCH-UHFFFAOYSA-N	319.361	1.539	50	20	DDGD	
O=C(/C=C/c1ccncn1)NNc1ccc(C(=O)O)c(F)c1	1608288486	MLUUGFMKRXBGFM-DUXPYHPUSA-N	302.265	1.470	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)C12CC(C(=O)O)(C1)C2	1600585406	TVCIYVDKSNNEQX-UHFFFAOYSA-N	303.318	1.403	50	20	DDGD	
COc1cccc(O)c1C(=O)NNc1ncccc1C(=O)O	1604871482	QGDYJWHNUSIBAY-UHFFFAOYSA-N	303.274	1.251	50	20	DDGD	
CO[C@H]1CCC[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1605027610	BCZQJIMRYYNDMR-NEPJUHHUSA-N	302.338	1.125	50	20	DDGD	
Cc1ccc(COCC(=O)NNc2ccc(C(=O)O)cn2)cc1	1607785000	NAELAMBJNVFKLK-UHFFFAOYSA-N	315.329	1.748	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H](C(=O)O)C(C)C)c1ccccc1	1603489263	WKDTWSMPYIDHMG-QWHCGFSZSA-N	306.362	1.684	50	20	DDGD	
O=C(NNC(=O)C12CCC(C(=O)O)(CC1)CC2)C1CCCC1	1601553426	HNFHREZSHOJPOG-UHFFFAOYSA-N	308.378	1.749	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(C(=O)O)ccc1Cl	1606292774	TYPOIPSXZUPBSG-UHFFFAOYSA-N	301.755	1.119	50	20	DDGD	
C[C@@H](Sc1ccccc1C(=O)NNc1ccncn1)C(=O)O	1604456067	RWNPGGJTDKDSJX-SECBINFHSA-N	318.358	1.799	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1cc(Cl)ccc1OC(F)F	1602071910	ATLHYOVWJPNALV-UHFFFAOYSA-N	321.667	1.659	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)cc1	1602127260	LIJNCLCSLMCBGU-MYBUGEPTSA-N	315.373	1.984	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1ccc(C)cc1	1549314701	JWFNMTXWIWUWPJ-HZPDHXFCSA-N	301.390	1.698	50	20	DDGD	
CC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)S	1802294780	MEMWNACYKREJQL-HHHUOAJASA-N	318.870	1.960	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H]1CCN[C@H](C)C1	1579309813	OSSUSAVLCCDUKR-GHMZBOCLSA-N	322.434	1.401	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@H]1C[C@@]12CCNC2	1574302163	BGHKZJJAYXSZPA-IUODEOHRSA-N	307.781	1.030	50	20	DDGD	
CO[C@@H]1CNC[C@H]1NC(=O)NNc1c(C)cccc1C(C)C	1579120746	KZKCMUKWRALIHW-ZIAGYGMSSA-N	306.410	1.731	50	20	DDGD	
CCCNNC(=O)[C@H](F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	1577572956	WZCJSFKFULBJRH-GHMZBOCLSA-N	303.378	1.612	50	20	DDGD	
C=C(Cl)C[C@H](N)C(=O)NNc1nc(-c2ccccc2)no1	1574856655	DRAIBMKBFDNXPO-JTQLQIEISA-N	307.741	1.650	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)Cc2cnc[nH]2)C1	1843344910	NLJUYIDDQWVKTL-GFCCVEGCSA-N	324.812	1.173	50	20	DDGD	
CC(=O)c1cncc(C(=O)NNc2ccc(C(=O)O)cc2F)c1	1589318475	GAGZMCSNFSNKKV-UHFFFAOYSA-N	317.276	1.878	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)c1ccc(-c2nn[nH]n2)o1	1593167970	SVSAQRJAEWKDRI-UHFFFAOYSA-N	322.288	1.160	50	20	DDGD	
COC(=O)/C(C#N)=C\c1ccc(N2CCC(C(=O)O)CC2)o1	1593804405	MWRVTNKOSRBMSV-FLIBITNWSA-N	304.302	1.661	50	20	DDGD	
Cc1cccc(NNC(=O)Nc2cccc(-c3nn[nH]n3)n2)n1	1592235180	FNZIPNDWUALFGK-UHFFFAOYSA-N	311.309	1.114	50	20	DDGD	
COc1ccccc1[C@@H](O)C(=O)NNc1ccccc1C(=O)O	1599701218	MILXYRLLCDRQRJ-CQSZACIVSA-N	316.313	1.570	50	20	DDGD	
C[C@@H](CBr)COC(=O)Cn1cc(C(=O)O)cn1	1592211217	KGIFVLWMNGZHCF-ZETCQYMHSA-N	305.128	1.156	50	20	DDGD	
O=C(NN=C1CC(C(=O)O)(c2ccccc2)C1)c1cccnn1	1776103724	XDWGETSVBIEQDJ-UHFFFAOYSA-N	310.313	1.379	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C\c1ccc(C(=O)O)cc1[N+](=O)[O-]	1776330817	FFXDPOUOGOEVLD-XGICHPGQSA-N	317.301	1.972	50	20	DDGD	
Cc1[nH]c(C=NNC(=O)Cc2ccccc2O)cc1C(=O)O	1776094309	MGICYJZJSRXLHT-UHFFFAOYSA-N	301.302	1.420	50	20	DDGD	
COc1cc(C=NNC(=O)c2cccc(C)n2)ccc1C(=O)O	1776058018	YOXGAWYZYUTVOZ-UHFFFAOYSA-N	313.313	1.861	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1c(F)cc(C(=O)O)cc1F	1776082236	DWTHSYWVVWSEHT-APPZFPTMSA-N	312.272	1.538	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1cccc(F)c1C(=O)O	1776077811	CNYKPNHSONKALL-UHFFFAOYSA-N	302.265	1.496	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@H]2CCN(CC(C)C)C2)n1	150765413	XBJVNMWBUFZBMN-LBPRGKRZSA-N	322.413	1.089	50	20	DDGD	
CC(C)C(=O)N(C)Cc1ccc(C(=O)NNC(=O)N(C)C)cc1	162231899	YMLANWOMCPLFMZ-UHFFFAOYSA-N	320.393	1.217	50	20	DDGD	
COC(=O)NNC(=O)[C@@H](C)c1ccc(Br)cc1	158832250	VFJKIDWGHWBWKM-ZETCQYMHSA-N	301.140	1.940	50	20	DDGD	
CC[C@@H]1CCCCN1CC(=O)NNC(=O)c1cccc(C#N)c1	164708043	JVWNBVKTPAZLCT-OAHLLOKOSA-N	314.389	1.584	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CCC(=O)NNc1ccccc1F	153120165	FVOPNWUWIDSQQP-UHFFFAOYSA-N	307.285	1.772	50	20	DDGD	
CC(C)[C@H](NC1CCOCC1)C(=O)NNC(=O)c1ccccc1	157054187	NNYCOPDRPICBDU-HNNXBMFYSA-N	319.405	1.241	50	20	DDGD	
CN(CCn1ccccc1=O)NC(=O)OCc1ccccc1	859387022	MJNMXMQPCGBDMT-UHFFFAOYSA-N	301.346	1.622	50	20	DDGD	
C[C@@H](O)CN(Cc1ccccc1)S(=O)(=O)CBr	782453001	DWZIIFGEHHHARG-SNVBAGLBSA-N	322.224	1.552	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)Nc1ccccn1	106251963	BKCNYJJUUCGLLB-UHFFFAOYSA-N	300.318	1.573	50	20	DDGD	
Cc1cc(C)c(OCC(=O)NNC(=O)c2ccccn2)c(C)c1	8198183	KFDCKKCFLHSPPM-UHFFFAOYSA-N	313.357	1.847	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCO[C@H](C3CC3)C2)s1	119476127	IHWAWPWVLAWZRZ-RYUDHWBXSA-N	323.418	1.958	50	20	DDGD	
O=C(NNC(=O)c1ccc([N+](=O)[O-])o1)c1cccc([N+](=O)[O-])c1	50122273	UBPFMWNISZQNKP-UHFFFAOYSA-N	320.217	1.171	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F	112855244	VPKIKWBDNDKUDZ-RYUDHWBXSA-N	319.311	1.868	50	20	DDGD	
CCOC(=O)N1CCC(C(=O)NNc2nc(C)cc(C)n2)CC1	22234034	BEFCMMOGAIWNQU-UHFFFAOYSA-N	321.381	1.405	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1cc(Cl)ccn1	104831676	QUQPDDWXSASXIQ-UHFFFAOYSA-N	304.737	1.608	50	20	DDGD	
CO/N=C/c1ccc(C(=O)NNC(=O)NC2CCCC2)cc1	65918802	WAVVYUMVGFIBPJ-MHWRWJLKSA-N	304.350	1.554	50	20	DDGD	
COc1ccc(OC)c(CC(=O)NNc2nccnc2Cl)c1	114896389	VILBLXQWRYETKH-UHFFFAOYSA-N	322.752	1.833	50	20	DDGD	
NC(=O)c1c[nH]c(C(=O)NNc2ccccc2C(F)(F)F)c1	175886015	POYMMCZOMLCGFY-UHFFFAOYSA-N	312.251	1.889	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@H]2CCC[C@@H]21	176393517	DOBANJSYNDWUJW-KGLIPLIRSA-N	302.378	1.629	50	20	DDGD	
O=C(NCCn1cccn1)NNC(=O)c1ccc2ccccc2n1	114970420	MUFCXIGPZQORIW-UHFFFAOYSA-N	324.344	1.076	50	20	DDGD	
C#CCCCNC(=O)NNC(=O)COc1cc(C)ccc1C	173329652	USOMMXXKTSTCFG-UHFFFAOYSA-N	303.362	1.426	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C1CCCC1	26736231	UWVPLINTJZUTFL-UHFFFAOYSA-N	306.362	1.802	50	20	DDGD	
N#Cc1ccc(CC(=O)NNC(=O)Cc2ccccc2F)cc1	66774813	FYKJJPQJNWAHBO-UHFFFAOYSA-N	311.316	1.630	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)c2cc[nH]c2)cc1OC	68230067	PVJRWDGHKAULNA-UHFFFAOYSA-N	303.318	1.497	50	20	DDGD	
C[C@@H]1CCN(CC(=O)NNC(=O)c2ccccc2Cl)[C@@H]1C	177870099	HOPQMOZHUSJUAB-GHMZBOCLSA-N	309.797	1.831	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H](CC)OC)cc1	67812061	ZZGRHZVLGUPGBP-SMDDNHRTSA-N	324.377	1.425	50	20	DDGD	
CN(C[C@H](O)CN1CCOCC1)/C(=C/C#N)c1ccccc1	177361914	RITLTWLWSYXMHW-VQJIRCFZSA-N	301.390	1.176	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc2c(c1)NC(=O)CS2	64426416	VFFMMXALEILENL-UHFFFAOYSA-N	322.390	1.475	50	20	DDGD	
Cc1nc2ccccc2cc1C(=O)NNC(=O)Cc1cccnc1	171511197	VEHPTQIUKPWWEL-UHFFFAOYSA-N	320.352	1.942	50	20	DDGD	
Nc1ncc([N+](=O)[O-])cc1C(=O)NNc1ccncc1Cl	121339748	RRKYLQHVYCKGOT-UHFFFAOYSA-N	308.685	1.377	50	20	DDGD	
O=C(CO)NNC(=O)c1ccc(OCC2CCCCC2)cc1	182763100	WHGBQRJRWIUJTN-UHFFFAOYSA-N	306.362	1.399	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)c2ccc(Cl)nc2)cc1	77248577	PEQZNPTYFJXQFR-UHFFFAOYSA-N	318.764	1.876	50	20	DDGD	
O=C1O[C@H](C(=O)NNc2cc(Cl)ccn2)Cc2ccccc21	182954275	POAGMXLXUCYBON-LBPRGKRZSA-N	317.732	1.960	50	20	DDGD	
CCNC(=O)NNC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O	122939721	LKQDUKXEUGPTJX-CQSZACIVSA-N	316.361	1.301	50	20	DDGD	
COc1cccc(NNC(=O)CCCc2nc(C3CC3)no2)n1	180729449	ITQJHLJZOFZBIU-UHFFFAOYSA-N	317.349	1.817	50	20	DDGD	
COc1ccc(CCNC(=O)/C(C#N)=C/c2cnn(C)c2)cc1	78268785	YABLBSFBAGJHST-OQLLNIDSSA-N	310.357	1.695	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1cnn(C)c1	123917235	LRAIQIONCZGIDY-GHMZBOCLSA-N	304.375	1.355	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1occc1-c1ccccc1	32260865	WRWJUVYNSNRWNO-ZDUSSCGKSA-N	300.314	1.887	50	20	DDGD	
CCO[C@@H](C)C(=O)NNC(=O)c1cc(-c2ccccc2)on1	76269396	KHZQJYCTOBJLKR-JTQLQIEISA-N	303.318	1.528	50	20	DDGD	
COc1ccc(F)cc1CC(=O)NNC(=O)c1ccccc1O	186474112	UXWQLPUZDLXBIF-UHFFFAOYSA-N	318.304	1.544	50	20	DDGD	
Cc1nccn1CCCCNC(=O)NNC(=O)OC(C)(C)C	74533569	ZTDLCSOMSGVKEQ-UHFFFAOYSA-N	311.386	1.711	50	20	DDGD	
COc1ccc(C(=O)NNc2nc3ccccc3c(=O)[nH]2)c(C)c1	137240070	KOFHZNBCWQATCQ-UHFFFAOYSA-N	324.340	1.997	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1c[nH]nc1C1CC1	190019148	FKYZVTNHWFDJDE-UHFFFAOYSA-N	309.329	1.843	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1ncc(Cl)cc1Cl)C(C)C	132433126	NMNMBJYIFATSIH-JTQLQIEISA-N	319.192	1.992	50	20	DDGD	
Cc1ccc(Br)cc1C(=O)NNC(=O)C(C)(C)O	192932077	HCIWYPNXGPHXOT-UHFFFAOYSA-N	315.167	1.289	50	20	DDGD	
COc1ccc(CCNC(=O)/C(C#N)=C\c2csnn2)cc1	193342473	GQBQVNPMMDFLPX-WQLSENKSSA-N	314.370	1.813	50	20	DDGD	
CC(C)N(CCNC(=O)NNC(=O)c1ccccc1)C(C)C	43063970	GSZFJMZRLIFSIO-UHFFFAOYSA-N	306.410	1.749	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)Cc2ccncc2)c1	81025151	GRCBUCVJRIMXTO-ZDUSSCGKSA-N	313.357	1.547	50	20	DDGD	
O=C(Cc1ccccc1[N+](=O)[O-])NNC(=O)CC1CCCC1	195217237	VGLAHLVPIXKSPW-UHFFFAOYSA-N	305.334	1.865	50	20	DDGD	
CSCCNC(=S)NNC(=O)C1(c2ccccc2)CCC1	91821849	BXUAPSZVOCYECE-UHFFFAOYSA-N	323.487	1.967	50	20	DDGD	
COCCC1(C(=O)NNC(=O)c2ccc(Cl)cc2O)CC1	269677612	LKCYQXQETMTMOB-UHFFFAOYSA-N	312.753	1.623	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)COc2ccc(C#N)cc2)O1	268271593	HIFJDAQQUXUIGM-TZMCWYRMSA-N	317.345	1.042	50	20	DDGD	
CN1C[C@@H](C(=O)NNc2cc(Cl)ccc2Cl)CC1=O	267893157	ZINYEXDNUCEWSF-ZETCQYMHSA-N	302.161	1.915	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CC[C@@H]2CC[C@@H](C)O2)c1O	266635432	XNBYLKBJJCOMCM-MNOVXSKESA-N	322.361	1.510	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@@H]1CCCc2cn[nH]c21	269059358	YRYKGAIPBOTOLZ-MRVPVSSYSA-N	307.745	1.557	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)COc2ccc(F)cc2)O1	268388945	ZYBFMWKFUQPION-DGCLKSJQSA-N	310.325	1.310	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)Cc1ccccc1OC	265808990	XPMPKJMSVFBJKW-UHFFFAOYSA-N	303.318	1.249	50	20	DDGD	
CN1N=C(C(=O)NNC(=O)Nc2ccc(Cl)cc2)CCC1=O	367125079	CIXYSCYRWNOACW-UHFFFAOYSA-N	323.740	1.101	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNc2nnc(C3CC3)s2)n1	273549343	BFBNIOVNZZMONQ-UHFFFAOYSA-N	319.346	1.354	50	20	DDGD	
CCCc1ccc(N2C[C@@H](C(=O)NN(C)C(N)=O)CC2=O)cc1	272247210	YOMJVBQIGKYAIV-LBPRGKRZSA-N	318.377	1.034	50	20	DDGD	
CCN(CC)CCSCC(=O)NNc1ccnc(F)c1	272860591	VFDODIHLPGPEND-UHFFFAOYSA-N	300.403	1.739	50	20	DDGD	
COCC(C)(C)C(=O)NNc1cccc(S(C)(=O)=O)c1	272051399	UKZNNQLFDQXJEB-UHFFFAOYSA-N	300.380	1.206	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	274494941	KTSYDSAMBYSYCQ-BDAKNGLRSA-N	315.295	1.900	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(SC)o1	276545021	JJTLLJQCADUQMB-UHFFFAOYSA-N	316.379	1.552	50	20	DDGD	
C[C@@H](CCO)C1(CNC(=O)NNC(=O)c2ccccc2)CCC1	271792171	JKTXGZANTRIYMW-ZDUSSCGKSA-N	319.405	1.819	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cc(C)n(C)c1C	272397893	ZAILRVOMOZTNHL-UHFFFAOYSA-N	315.373	1.654	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CCc2c[nH]cn2)cc1	287328546	VXHDCXMEUHSHHW-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
CNc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)c1ccccc1	16200587	QCZLWNYQHHQUDD-UHFFFAOYSA-N	314.301	1.711	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C(C)(C)S(C)(=O)=O	288873719	YDWGPHQXJGIHJP-UHFFFAOYSA-N	315.351	1.170	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)COCc1ccccc1	280110716	LHDPZSVQXHIBFA-GXTWGEPZSA-N	318.373	1.356	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NNc1nccnc1C1CCC1	287237039	PUHMXFAHYGZYKA-GFCCVEGCSA-N	319.409	1.156	50	20	DDGD	
C[S@@](=O)C1(CNC(=O)NNc2cc(Cl)ccn2)CCC1	281173670	DNJRTVHNUFMQGN-HXUWFJFHSA-N	316.814	1.662	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc(N2CCC2=O)c1	280265099	ULUGGLRPBBOZCM-SNVBAGLBSA-N	304.350	1.622	50	20	DDGD	
CC[C@H](C)[C@@H](CNC(=O)NNc1ccc(Cl)nn1)OC	297932760	VSYOUYKIFCAUQP-DTWKUNHWSA-N	301.778	1.817	50	20	DDGD	
Cn1ccnc(NNC(=O)C2CC(O)(CCC(C)(C)C)C2)c1=O	294853482	FURKWGUWHHLEQX-UHFFFAOYSA-N	322.409	1.191	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)c1N	802018849	VDWMDMDCDJNYLL-UHFFFAOYSA-N	308.729	1.122	50	20	DDGD	
CC1=C(C(=O)NNC(=O)CCc2ccccc2)SCCO1	806725922	YNCAILXBLHXPHV-UHFFFAOYSA-N	306.387	1.762	50	20	DDGD	
O=C(NCc1coc2ccccc12)NNC(=O)[C@@H]1CCCCO1	296577071	YHBRHXZQNYPYPL-AWEZNQCLSA-N	317.345	1.832	50	20	DDGD	
CCc1oc(C=NNC(=O)c2cccnc2)cc1C(=O)OC	800803336	FILJSYQMESPGLT-UHFFFAOYSA-N	301.302	1.788	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)Nc1ccc(N(C)C)cc1)N(C)C	802117131	GIXFJPGVIAGZNC-AWEZNQCLSA-N	321.425	1.492	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(C(F)F)n1	291612463	RGTRZDKNUCUVMU-NKLKJHRZSA-N	310.304	1.560	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	294286304	HRCIEUWFIFJAQC-CQSZACIVSA-N	316.361	1.653	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)COC(F)F)c1	803395451	LFYQOQAADOZYGB-UHFFFAOYSA-N	323.683	1.741	50	20	DDGD	
COC(=O)C(=O)CCCOC(=O)/C(C#N)=C/c1ccc(C)cc1	803234270	FWHYPOGROKARQE-GXDHUFHOSA-N	315.325	1.968	50	20	DDGD	
CC[C@@H](C)Oc1cc(C(=O)NNC(=O)[C@@H]2CCCO2)ccn1	294480120	BPXSKTIHDCHPML-PWSUYJOCSA-N	307.350	1.199	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)c2ncccn2)c1	802108551	YSYGDSKHUHKQFR-UHFFFAOYSA-N	321.724	1.605	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](O)c1ccc(Cl)c(Cl)c1	295053441	UTJCQQSXRXGHPX-SNVBAGLBSA-N	320.176	1.719	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNC(=O)Nc1ccc(Cl)cc1	802014171	JHCLRZNBGHNWGY-LBPRGKRZSA-N	310.785	1.977	50	20	DDGD	
COCC1(CNC(=O)NNc2ncncc2F)CCCCC1	293209273	BNSDOLVNDSRGIG-UHFFFAOYSA-N	311.361	1.839	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@H](C)c2ccc(C#N)cc2)O1	292507015	CUVUSNTZFOMJRR-WDMOLILDSA-N	316.361	1.517	50	20	DDGD	
CCOc1ccccc1OCCCC(=O)NNc1nnc[nH]1	293899175	KUYQMQQCKZHUGO-UHFFFAOYSA-N	305.338	1.506	50	20	DDGD	
Cn1nncc1NC(=O)NNC(=O)Cc1cccc2ccccc12	809901513	PSLWYFWDIOLSCV-UHFFFAOYSA-N	324.344	1.364	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CC1CC1)[C@@H]1OCCc2sccc21	294005649	AYQACAYZYJMBGA-XPTSAGLGSA-N	308.403	1.946	50	20	DDGD	
Cc1cc(Cl)ccc1C(=O)NNC(=O)N=c1cc[nH]cc1	802033944	ULPFLLZTMHULNN-UHFFFAOYSA-N	304.737	1.932	50	20	DDGD	
CC[C@@H](Cc1ccccc1C)C(=O)NNC(=O)N1CCOCC1	819193777	MHECAJWPYBKYPE-AWEZNQCLSA-N	319.405	1.637	50	20	DDGD	
CO[C@@H]1CCC[C@H](C(=O)NNC(=O)CCc2ccccc2)C1	814408629	WJKNSENMTHBRGM-LSDHHAIUSA-N	304.390	1.972	50	20	DDGD	
O=C(CCNC(=O)c1ccc2ccccc2c1)NNc1nc[nH]n1	816633609	HUOXHTHTXBYWTB-UHFFFAOYSA-N	324.344	1.221	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2snnc2C)cc1C	814216252	DNSFNWOCSLBFKF-UHFFFAOYSA-N	317.374	1.552	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@H](O)c1ccc(Cl)cc1F	813500103	KIMMHRGEGVJIST-SNVBAGLBSA-N	314.679	1.585	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)COc1ccc(C)c(C)c1)C1CC1	812445608	UMLORVIKLAKRLA-QGZVFWFLSA-N	320.389	1.645	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)C(C)(F)F	814733465	IPEXGJTYQMEZQY-UHFFFAOYSA-N	310.304	1.401	50	20	DDGD	
COCC(=NNC(=O)Cc1cc[nH]n1)c1cccc(Cl)c1F	814956878	NTLHWYHEKJYQEZ-UHFFFAOYSA-N	324.743	1.912	50	20	DDGD	
Cc1cc(C#N)cnc1C(=O)NNC(=O)c1ccc(C#N)cc1	815150131	OWEYQXPTPOESSC-UHFFFAOYSA-N	305.297	1.208	50	20	DDGD	
CC(C)Cc1ncc(C(=O)NNC(=O)C2CCOCC2)s1	829557410	FYPZLVYPBTYWAQ-UHFFFAOYSA-N	311.407	1.529	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1cccc(CS(C)(=O)=O)c1C	490754423	OTBLOIUUEOCATJ-LCYFTJDESA-N	322.386	1.922	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cncs2)c(C)c1	825765356	WMKDTNTZIXCZKC-UHFFFAOYSA-N	304.375	1.633	50	20	DDGD	
O=C(/C=C\c1ccc[nH]1)NNC(=O)[C@H]1COc2ccccc2O1	492041344	KPIVTUSELFABQB-WBTMPAOCSA-N	313.313	1.015	50	20	DDGD	
Cc1noc(C)c1[C@H](C)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	826002267	VNXIROZMGJKQKF-JVUFJMBOSA-N	310.354	1.108	50	20	DDGD	
O=C(/C=C\c1ccc(Cl)nc1)NNC(=O)c1ccccn1	492305212	USTFNRQZZZVKPF-ALCCZGGFSA-N	302.721	1.604	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1ccc(F)cc1F	494625405	RSJQUXLEECNDOL-UHFFFAOYSA-N	313.304	1.940	50	20	DDGD	
C[C@]1(CNC(=O)/C(C#N)=C/c2ccc(F)cc2)CCC(=O)N1	491176176	NYOIGSULOGNXLA-OQRGYWNNSA-N	301.321	1.518	50	20	DDGD	
CN(NS(=O)(=O)c1ccc(C#N)o1)C(=O)OC(C)(C)C	496462166	XQLJRJGFAPDROS-UHFFFAOYSA-N	301.324	1.211	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(C)n(C(C)C)n2)c(O)c1	825498379	DYLQTKGEQJIQOF-UHFFFAOYSA-N	316.361	1.861	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)c2cccc(C#N)c2)c1C	728871025	MGXNGRYSYNUZBG-UHFFFAOYSA-N	311.345	1.466	50	20	DDGD	
CCC1(CC)CN(C(=O)c2ccc(B(O)O)cc2)CCS1	584974896	JLLQKCMZEVVKIW-UHFFFAOYSA-N	307.224	1.114	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cc(OC)c(OC)c(OC)c1	496580189	BOAUKFHIECSDEE-UHFFFAOYSA-N	313.310	1.447	50	20	DDGD	
O=C(CSC1CC1)NNC(=O)c1cc(-c2ccccc2)on1	822292925	GDQRURPJORKMEL-UHFFFAOYSA-N	317.370	1.998	50	20	DDGD	
COc1cc(C=NNC(=O)c2c[nH]nc2C)cc(OC)c1O	735411675	PRMCBKRERFMUNJ-UHFFFAOYSA-N	304.306	1.205	50	20	DDGD	
O=C(O)NNS(=O)(=O)c1ccc(F)cc1C(F)(F)F	738662298	RULKTLFNOYDVCW-UHFFFAOYSA-N	302.205	1.305	50	20	DDGD	
Cc1cc(C)c2c(c1)CN(C(=O)c1cccc(B(O)O)c1)CC2	584973255	CEUGCPSAALEBDE-UHFFFAOYSA-N	309.174	1.182	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2CCSCC2)cc1OC	732932223	NRMMSYNXQZZKSK-UHFFFAOYSA-N	324.402	1.608	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@H](CO)c1ccc(OC)cc1	491007131	FRCASUSFOOHXDW-YBEMTRGBSA-N	304.346	1.331	50	20	DDGD	
CCCCO[C@@H]1C[C@H](NC(=O)c2cccc(B(O)O)c2)C1(C)C	584960924	OWQWNMJXURYMAL-LSDHHAIUSA-N	319.210	1.080	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCCCC1(F)F	830191129	VHCWOCVDKUCWBD-JTQLQIEISA-N	322.352	1.749	50	20	DDGD	
CCc1[nH]c(C(=O)NNC(=O)CCC(C)C)c(C)c1C(=O)O	737244545	OXWCAMOWMVZKIB-UHFFFAOYSA-N	309.366	1.781	50	20	DDGD	
CS[C@@H]1CC[C@@H](NC(=O)NNC(=O)[C@@H]2CCCCO2)C1	836329850	SAWHVSSEMFOOKL-MXWKQRLJSA-N	301.412	1.170	50	20	DDGD	
COc1ccc(C(=O)O)cc1C=NNC(=O)[C@@H]1CCCCO1	901250312	PXVVNQZJOBXPBO-ZDUSSCGKSA-N	306.318	1.413	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NC[C@H]2CC[C@@H](C)O2)c1	838742168	OTIDZCYKMDOTDD-TZMCWYRMSA-N	321.377	1.272	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1ccc[nH]1)c1ccc([N+](=O)[O-])cc1	739684123	KMZGJWVADQOCOW-UHFFFAOYSA-N	316.317	1.662	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1c(C)nn(C(C)C)c1C	734419371	PNVAHIWNWSODLE-VIFPVBQESA-N	316.427	1.436	50	20	DDGD	
CC[C@H](NCc1cccc(B(O)O)c1)[C@@H](O)c1ccccc1F	585026235	DTORISOIUSEARU-IRXDYDNUSA-N	317.169	1.107	50	20	DDGD	
O=C(CN1CCCC12CCC2)NNC(=O)c1ccc(F)cc1	839583302	GSYMOGSLIVKTRH-UHFFFAOYSA-N	305.353	1.605	50	20	DDGD	
COc1ccc([C@H](NCc2ccccc2B(O)O)C2CC2)cn1	585049255	MTQFYLNDHCRYFN-QGZVFWFLSA-N	312.178	1.011	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCC[C@@H](OC)C1	830191230	YOXRJLICDZUUJI-VXGBXAGGSA-N	316.398	1.128	50	20	DDGD	
O=C(NC[C@H]1CCCC(F)(F)C1)c1ccc(B(O)O)c(F)c1	584987628	XFXIZOBLYFNZBQ-VIFPVBQESA-N	315.100	1.061	50	20	DDGD	
Cc1cccc2c1CC[C@@H]2NC(=O)NNC(=O)[C@H]1CCCCO1	838318066	MMKWRISHJADCAD-LSDHHAIUSA-N	317.389	1.882	50	20	DDGD	
O=C(c1cccc(C(F)(F)F)c1F)N1CC[C@H](B(O)O)C1	585070046	VNGRSXSSKFUBKY-ZETCQYMHSA-N	305.036	1.533	50	20	DDGD	
C[C@H]1c2c(F)cccc2CCN1CC(=O)NNC(=O)C1CC1	738338249	GHFDKBXCFWJSLV-JTQLQIEISA-N	305.353	1.302	50	20	DDGD	
O=C(CN1CCC[C@H]1C[C@H]1C[C@H]2CC[C@H]1C2)NNC(=O)C1CC1	733194700	JFLRLYVNIPWIDF-HNKHHVNMSA-N	319.449	1.835	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C[C@@H]2CCCOC2)ccc1F	837039651	SGEISCNPZWUTGY-JTQLQIEISA-N	310.325	1.872	50	20	DDGD	
O=S(=O)(CCl)NCC1(c2ccc(F)cc2)CCOCC1	830167447	MJCPGKZQXMVURA-UHFFFAOYSA-N	321.801	1.990	50	20	DDGD	
Cc1n[nH]c(C)c1C=NNC(=O)[C@@H](C)CN1CCC(C)CC1	915953228	SEOBVAULRZVAPP-LBPRGKRZSA-N	305.426	1.845	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=O)OCC(F)(F)F)C1	912597698	ZSYUZKIPGCLXFS-XPUUQOCRSA-N	320.271	1.395	50	20	DDGD	
COc1ccc(O)c(C(=O)NNc2cccc(C(=O)O)c2)c1	833733128	HRJFMGYAGVSGPY-UHFFFAOYSA-N	302.286	1.856	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)c1ccc(-n2cnnn2)cc1	743815469	FAHMJGMWRVFAMT-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
CCNCCNC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	841935462	VPBWTJGKAZHCNH-ZDUSSCGKSA-N	322.409	1.011	50	20	DDGD	
C[C@H]1CCCc2ncc(C(=O)NNc3ncncc3Cl)n21	845993741	SEMSVCWYCIADCB-QMMMGPOBSA-N	306.757	1.981	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cn(C(C)C)nc1C	847643574	DEFYAONGSQENLD-UHFFFAOYSA-N	315.468	1.244	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1cc(Cl)ccc1O)[C@H]1CCOC1	841615830	AIZSEGGOWSIQHQ-ZANVPECISA-N	312.753	1.813	50	20	DDGD	
COC/C(C)=C/C(=O)NNC(=O)COc1ccc(C)c(C)c1	845078895	HBDIOEVIKOFEAA-YRNVUSSQSA-N	306.362	1.422	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@H](C)n2ccnc2)c1F	846248425	FJJQSSJDCGWCJY-JTQLQIEISA-N	320.324	1.903	50	20	DDGD	
O=C(COCC1CCCC1)NNc1cc(O)nc2ncccc12	913987789	JSGOQFYRWALSNK-UHFFFAOYSA-N	316.361	1.985	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)Cc2ccccc2F)CS1	840417308	HUQYFQKXGADXAC-KOLCDFICSA-N	311.382	1.593	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)c2ccccn2)cccc1[N+](=O)[O-]	747682147	LACXQFLZRRECNX-UHFFFAOYSA-N	314.301	1.302	50	20	DDGD	
C[C@H](COCC(=O)NNc1nccn(C)c1=O)c1ccccc1	846637067	VFXWGUJUKAOOPP-GFCCVEGCSA-N	316.361	1.044	50	20	DDGD	
COc1ccccc1C(C)(C)C(=O)NNC(=O)c1ccncc1	746819900	IZWGCIUBDCOAGZ-UHFFFAOYSA-N	313.357	1.829	50	20	DDGD	
CO[C@H](C=NNC(=O)CCOc1ccccc1)[C@@H]1CCOC1	841622154	MJFWKRCUFNQYBS-UKRRQHHQSA-N	306.362	1.609	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(OCCCOC)cc1	749924391	RZNVBPRSPDZOLB-UHFFFAOYSA-N	323.393	1.846	50	20	DDGD	
O=S(=O)(CCCCCl)NC[C@@H](CO)c1ccc(F)cc1	841558499	BFKBBJLQIODBNC-LBPRGKRZSA-N	323.817	1.840	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1ccc(N(C)CCC#N)cc1	842552841	CDPJTAGKPIXHMF-CZUORRHYSA-N	314.389	1.912	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1coc2cc(F)ccc12	843654794	SHKUWTQQLCXMMC-SKDRFNHKSA-N	320.320	1.687	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCCOc1ccc(F)cc1	843644055	OBMGIYZYVYMINV-FZMZJTMJSA-N	324.352	1.557	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC2CCNCC2)c1F	841924161	VHNUWBLPAPWPJW-UHFFFAOYSA-N	324.356	1.238	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cc2c(nc1O)CCC2	916095007	NMHGVNPTMLSUPJ-UHFFFAOYSA-N	314.301	1.941	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1ccc2c(c1)CCC(=O)N2C	842559830	CRGWMBRIFMLNCP-FZMZJTMJSA-N	315.373	1.471	50	20	DDGD	
C[C@H](CN)NC(=O)NNC(=O)c1c(Cl)cccc1Cl	841970209	XDBWKEVTPLINFQ-ZCFIWIBFSA-N	305.165	1.285	50	20	DDGD	
O=C(CSCc1ccncc1)NNC(=O)CC(F)(F)F	919750903	GILFSDKXWWRVLH-UHFFFAOYSA-N	307.297	1.415	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccnc(F)c2)c1	748696188	DEWQMXJELDZRMD-UHFFFAOYSA-N	317.320	1.678	50	20	DDGD	
Cc1noc(C(F)(F)F)c1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843651648	DZYAFNXCKGXSFO-RQJHMYQMSA-N	321.255	1.188	50	20	DDGD	
CC(C)C[C@@H](N)C(=O)NNc1ncc(Br)cn1	848436365	OWFXGQVDKNKUDZ-MRVPVSSYSA-N	302.176	1.056	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2ncccn2)CN1Cc1ccccc1	841663952	BVMDDTWVRRDWDW-ZDUSSCGKSA-N	309.373	1.857	50	20	DDGD	
C[C@@H](CCCN)NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	842000262	UTVLIVSBLCXAQW-GVMDUPDNSA-N	322.453	1.661	50	20	DDGD	
O=C(NNc1cccnc1Cl)[C@H]1CCCS(=O)(=O)C1	846258768	VZBJRMLAGYEMKX-QMMMGPOBSA-N	303.771	1.003	50	20	DDGD	
COc1cc2c(cc1OC)C(=NNC(=O)[C@H]1CCO[C@H]1C)CC2	842561960	UGRTWHJJPXQLIL-JQWIXIFHSA-N	318.373	1.895	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CCc2cnc[nH]2)cc1	846378159	SUQZYZWLHSETHK-UHFFFAOYSA-N	302.334	1.201	50	20	DDGD	
CN1CC[C@H]1CNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	928560456	VVMKFGAQVVDRKG-MRBYEJRBSA-N	301.228	1.760	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CCCn2nc(C)cc2C)n1	929715689	MEMGLTCOFSUMDM-UHFFFAOYSA-N	302.382	1.830	50	20	DDGD	
Cc1cc(C)cc(C2(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)CC2)c1	843641261	BGIHMMGUYDGQBD-HIFRSBDPSA-N	316.401	1.907	50	20	DDGD	
NC(=O)C(=O)NN=Cc1ccc(Oc2cc(F)cc(F)c2)cc1	921251632	SBRYZYHLOIJNFJ-UHFFFAOYSA-N	319.267	1.693	50	20	DDGD	
Cc1cc(C)c(NC(=O)NNC(=O)CO)c(Br)c1	757733009	MUFWVFQWUUXTOI-UHFFFAOYSA-N	316.155	1.211	50	20	DDGD	
Cc1cc(NC(=O)NNc2ncc(Cl)cn2)nn1CCC#N	856851741	UBOOZNHTUOSQFX-UHFFFAOYSA-N	320.744	1.697	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)COc1cccc(C)c1)C1CC1	858127988	XJBAIKINJDJOJP-OAHLLOKOSA-N	306.362	1.336	50	20	DDGD	
C#CCN(C)CCCNC(=O)NC[C@@]1(C)C[C@@H]1Br	856858610	DXUGKNBIGAWVRT-WCQYABFASA-N	316.243	1.414	50	20	DDGD	
CCO[C@H]1COCC[C@@H]1NC(=O)NNc1ccc(F)c(F)c1	921958532	ZVICGUHKMNFLLR-STQMWFEESA-N	315.320	1.785	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cc(=O)cc[nH]1	929258238	PWPOVFAPBGSYFT-UHFFFAOYSA-N	315.373	1.352	50	20	DDGD	
C[C@H]1CN(C2CC2)CC1=NNC(=O)c1ccc2c(c1)OCO2	755871051	CTVJCNVSPBLFGP-JTQLQIEISA-N	301.346	1.615	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)c1ccc(Cl)cc1F	755377292	MUGUDKVWDXONPP-QMMMGPOBSA-N	302.733	1.913	50	20	DDGD	
C[C@H]1CC(=NNC(=O)CCN2CCCCCC2)CN1C1CC1	753955725	PYJPJGLNBAGNKB-AWEZNQCLSA-N	306.454	1.981	50	20	DDGD	
C[C@]1(CNS(=O)(=O)N2C[C@H]3CC[C@H]2C3)C[C@H]1Br	856754684	LVZFSFFVYFUUCO-UKKRHICBSA-N	323.256	1.479	50	20	DDGD	
CSc1ccsc1C(=O)NNc1ccc(C(N)=O)nn1	757408379	SLBMYVGTUKUDPE-UHFFFAOYSA-N	309.376	1.116	50	20	DDGD	
C[C@H](C(=O)NNC(=O)NCC1CC1)c1ccc([N+](=O)[O-])cc1F	755165100	XODNJEPADVHDAS-QMMMGPOBSA-N	324.312	1.578	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NNC(=O)c1cccc(F)n1	852302123	AQRIMCJYCVPOLI-MFKMUULPSA-N	322.340	1.146	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ncccc2[N+](=O)[O-])cc1	759301596	WPGIGKXTUFGADE-UHFFFAOYSA-N	316.273	1.533	50	20	DDGD	
C[C@](O)(CC(=O)NNC(=O)c1cc(Cl)ccc1O)C1CC1	756746859	YDFFNYUCJAOUMZ-AWEZNQCLSA-N	312.753	1.358	50	20	DDGD	
C[C@]1(CNC(=O)C2(C#N)CCOCC2)C[C@@H]1Br	857398669	TVEHMXLSSQAESL-GXSJLCMTSA-N	301.184	1.596	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1c(C)nc(C2CC2)nc1S	854924226	GMZJGZWVPJZSFG-UHFFFAOYSA-N	311.436	1.032	50	20	DDGD	
C[C@H](NC(=O)NC[C@@]1(C)C[C@H]1Br)c1ncn(C)n1	856850034	UWFJSDCOOILZMT-VAOFZXAKSA-N	316.203	1.349	50	20	DDGD	
COc1cccc(COCC(=O)NNC(=O)c2ccc(C)o2)c1	752776628	FSFNGTRSVAVHDH-UHFFFAOYSA-N	318.329	1.574	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCCn1cccc1	753048776	GSJNCJVSHMDAEK-UHFFFAOYSA-N	300.362	1.451	50	20	DDGD	
CCOCc1ccccc1CNC(=O)NNC(=O)c1cn[nH]c1	858133116	KVKZJUFQPIMQAS-UHFFFAOYSA-N	317.349	1.090	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)CCl)CC[C@H]1C(=O)OC(C)(C)C	859307752	IUFBXYHURQRPCZ-VHSXEESVSA-N	311.831	1.812	50	20	DDGD	
CC1=C(C(=O)NNc2nc3ccccn3n2)CCN1C(C)C	935621388	PNXKODNAGIFIEL-UHFFFAOYSA-N	300.366	1.561	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2[nH]c(C)c(C=O)c2C)n1	859797055	ZCRIZOZZVFMYIH-UHFFFAOYSA-N	303.322	1.308	50	20	DDGD	
COC(=O)c1cc(OC(=O)[C@@]2(C)CCOC2)ccc1[N+](=O)[O-]	754266443	KVOMNDBBHRIVRU-AWEZNQCLSA-N	309.274	1.713	50	20	DDGD	
O=C(NNc1ccc(F)c(Cl)c1)[C@@H]1CC(=O)N(C2CC2)C1	863078382	CJEIHJLCIPVXSF-MRVPVSSYSA-N	311.744	1.933	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)COc2ccccc2F)s1	864020336	SJLHPHSJQIPAJM-UHFFFAOYSA-N	323.349	1.739	50	20	DDGD	
C[C@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)c1ccccc1O	760192249	IAOZPMUARZDLCK-MNOVXSKESA-N	307.350	1.151	50	20	DDGD	
O=C(O)c1ccc2c(C=NNC(=O)C3CCCC3)n[nH]c2c1	765571125	CCXLCYICKDDHFR-UHFFFAOYSA-N	300.318	1.901	50	20	DDGD	
CSSCCNC(=O)[C@]1(C2CCCC2)CCNC1=O	861576054	TYYKILYNKJLAGX-ZDUSSCGKSA-N	302.465	1.810	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNc2cnccn2)c(F)cc1F	769959990	WORCXPAABZNJRI-UHFFFAOYSA-N	323.259	1.690	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(Cl)cc1	862452574	MASXOTDZKJLIGN-NSHDSACASA-N	323.780	1.044	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H]2CCn3cncc3C2)c1	862478261	FFAJRSAIIJDKAD-JTQLQIEISA-N	304.375	1.277	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NNCC(F)(F)C(F)(F)F	863094114	MBWUNRNJHMGKKP-LURJTMIESA-N	320.262	1.032	50	20	DDGD	
CC(C)CC(=O)NCCC(=O)NNCC(F)(F)C(F)(F)F	863095121	HTGKOEUTPTZVFC-UHFFFAOYSA-N	319.274	1.357	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@H](C(N)=O)c1ccccc1	866440562	RDWBSGXTBRRLLB-NSHDSACASA-N	318.826	1.397	50	20	DDGD	
Cc1ccc(C(=O)NNc2cc(C#N)cc(Cl)n2)c(O)n1	768708854	QQTSIRZLJCCQNF-UHFFFAOYSA-N	303.709	1.773	50	20	DDGD	
CSSCCNS(=O)(=O)N=S1(=O)CCCC1	867243341	VUDLMFRVCXOQSA-UHFFFAOYSA-N	304.484	1.094	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H](C)N2CCSCC2)c1	862478559	JRPZZTOKZTUJDJ-JTQLQIEISA-N	313.448	1.255	50	20	DDGD	
CC[C@H](C)CN(CC)CC(=O)NNC(=O)c1ccc(C#N)cc1	764284140	XSRCNHPDKRUFCQ-ZDUSSCGKSA-N	316.405	1.687	50	20	DDGD	
Cc1ccc(NCCCNC(=O)NN=c2cc[nH]c(C)c2)nc1	875086656	YZUIIRRGFARFFJ-UHFFFAOYSA-N	314.393	1.644	50	20	DDGD	
C=CC(C)(C)CC(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1	877998743	DHOXXKLUEGGRDA-BETUJISGSA-N	311.426	1.235	50	20	DDGD	
CC(=NNC(=O)c1sc(N)nc1C)c1cc(O)ccc1O	874108010	JEVWQIDOCBRNOM-UHFFFAOYSA-N	306.347	1.599	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@]1(C)CCCCO1	873770667	UNHAZMWRQYCAMN-OAHLLOKOSA-N	323.418	1.972	50	20	DDGD	
CC(C)[C@](C)(O)C(=O)NNC(=O)CSc1ccccc1O	771439551	KECSHSLZZVUPMZ-AWEZNQCLSA-N	312.391	1.039	50	20	DDGD	
CC(C)[C@H](NC(=O)NNC(=O)C1CCOCC1)C(F)(F)F	879342959	ZZCRAJYEEKWLBX-VIFPVBQESA-N	311.304	1.330	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CCn2ccnc2)c1	873755241	WKBZTVKVXODGTA-UHFFFAOYSA-N	317.418	1.908	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc2c(c1)CCCN2C(C)=O	878514122	RAAZFURTBQRODK-UHFFFAOYSA-N	320.349	1.720	50	20	DDGD	
C=CC(=O)N(C)CC(=O)NNC(=S)Nc1ccc(C)c(C)c1	873761842	JJEHJICHYIZPIJ-UHFFFAOYSA-N	320.418	1.265	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=S)NCCSC)s1	770245192	AXORHWUXOUCIRW-UHFFFAOYSA-N	318.493	1.486	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@@H](C)[C@@H]2C)c1	777592522	VVEVSWJTGWWEKB-KGLIPLIRSA-N	303.406	1.876	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(SC)ccc1C	771971073	XXULGKRJQGXGLG-JTQLQIEISA-N	324.402	1.820	50	20	DDGD	
CCn1nc(C(=O)NN=C2COC[C@H]2C)c2ccccc2c1=O	884391111	QMOYJEIXLJLIIO-SNVBAGLBSA-N	314.345	1.169	50	20	DDGD	
O=C(NN=Cc1cccc(Br)n1)N1CCOCC1	777886412	MHAOQBCQLZLJNF-UHFFFAOYSA-N	313.155	1.220	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@@H](C)NC(=O)C1CCCCC1	887143165	OEPGOQSFAMSELH-CYBMUJFWSA-N	321.421	1.412	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)Nc2ccncn2)c1	770764838	KSGRTAYJXRSZIS-UHFFFAOYSA-N	307.335	1.029	50	20	DDGD	
C#Cc1ccc(C(=O)NNc2ccnc(Br)c2)nc1	771535884	YEOXKWUSDKKMFN-UHFFFAOYSA-N	317.146	1.977	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NC[C@@H]1C=CCC1	883832554	FGYUTHXIUPMWLZ-NWDGAFQWSA-N	321.352	1.890	50	20	DDGD	
O=C(/C=C\CN1CCOCC1)NNc1ccc(Cl)cc1F	885106936	NLKYTBQORKAQNT-UPHRSURJSA-N	313.760	1.811	50	20	DDGD	
C[C@@H](Cc1cccc(O)c1)NC(=O)NNC(=O)C1CCOCC1	883183155	UMRWOOZSBGOELW-NSHDSACASA-N	321.377	1.080	50	20	DDGD	
CC(=O)N[C@@H](CC(=O)NNc1ccnc(F)c1)c1cccs1	781358323	LVGRYMGRGBGDNH-NSHDSACASA-N	322.365	1.993	50	20	DDGD	
C[C@H](CCc1ccco1)NC(=O)NNC(=O)C1CCOCC1	883073285	LRHSQJPXHMVGNX-LLVKDONJSA-N	309.366	1.358	50	20	DDGD	
COc1ccncc1NC(=O)C(=O)NNc1cc(Cl)ccn1	784861605	OUVLZLBNQMASRF-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1ccccc1F)[C@@H]1CCCOC1	780043705	IKRWEHBDPTWMGM-WCQYABFASA-N	323.368	1.514	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H]1CCc2n[nH]cc2C1	780731045	VAXCXNSWXMTCQW-JTQLQIEISA-N	314.345	1.445	50	20	DDGD	
CC[C@H](C)NC(=O)[C@H](C)NC(=O)NNc1ncncc1Cl	780975645	JNIXTAOZABOTKK-YUMQZZPRSA-N	314.777	1.059	50	20	DDGD	
CSc1ccccc1S(=O)(=O)NNC(=O)c1ccccn1	780363574	RQYISFRSOSJAKA-UHFFFAOYSA-N	323.399	1.427	50	20	DDGD	
CC(C)[C@@H]1CCCN(CC(=O)NNC(=O)c2cccs2)C1	781979778	CMZHBGALSFEMFJ-GFCCVEGCSA-N	309.435	1.877	50	20	DDGD	
CC(C)C(=O)NNC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1	785022111	VRGGEZKNQRHXQI-NSHDSACASA-N	313.398	1.483	50	20	DDGD	
C#CCN1CCC[C@@H](NC(=O)NNc2ccc(Cl)nc2)C1	890371188	OMTLSDNPOHWCRG-GFCCVEGCSA-N	307.785	1.459	50	20	DDGD	
NC(=O)NCc1ccc(C(=O)NNc2ncncc2Cl)cc1	781823518	JIPVDZCKWINQOJ-UHFFFAOYSA-N	320.740	1.055	50	20	DDGD	
COc1cc(C(C)=NNC(=O)c2sc(N)nc2C)ccn1	782186380	HPJNPOJSWZRDSU-UHFFFAOYSA-N	305.363	1.591	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1	791475866	UMPSBOMRJOKQMI-AWEZNQCLSA-N	321.340	1.040	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1cn(C)nc1C1CC1	899339019	POOWUXVVCYHBHW-LCYFTJDESA-N	302.378	1.747	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc(=O)c3ccccc3o2)n1	794079851	CXKUDZFNVQUWQP-UHFFFAOYSA-N	323.308	1.571	50	20	DDGD	
N[C@H]1C[C@H](CNC(=O)NNc2ccccc2OC(F)(F)F)C1	892571694	IBUSFLDSRYKYIC-KYZUINATSA-N	318.299	1.949	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H](O)CCc2ccccc2)n1	794079921	HPXBVYFZCXUQAC-HNNXBMFYSA-N	313.357	1.145	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)cc1	799914852	CDKURKKDHPJKGM-MQIPJXDCSA-N	320.389	1.589	50	20	DDGD	
CC(=O)N[C@@](C)(C(=O)NN=c1cc[nH]c2ccccc12)C(C)C	894425903	WDFCNZPNRNAZPE-QGZVFWFLSA-N	314.389	1.651	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)Cc2ccc(F)cc2)on1	792936734	QBPWLJIATXIYJL-UHFFFAOYSA-N	319.292	1.683	50	20	DDGD	
CC(C)=CCNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	790534429	OQUKBLMFYWKVAM-ZDUSSCGKSA-N	305.334	1.123	50	20	DDGD	
COc1cc(OC2CC2)ccc1C(=O)NNC(=O)NC1CC1	790508717	HUMLHSHFTCOKEF-UHFFFAOYSA-N	305.334	1.343	50	20	DDGD	
COC(=O)c1occc1C=NNC(=O)CNc1ccc(C)cc1	794744183	UCQHOZKMCZLFLJ-UHFFFAOYSA-N	315.329	1.937	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(OC)cc1OC(C)C	798305735	CUBUMGZQBYQSOF-UHFFFAOYSA-N	323.418	1.777	50	20	DDGD	
Cn1cc2c(n1)CCCC2=NNC(=O)Cn1cnc2ccccc21	794471838	RCAMKZNEAYPDIS-UHFFFAOYSA-N	322.372	1.627	50	20	DDGD	
Cc1cc(NNC(=O)CSc2nc3ccccc3[nH]2)ncn1	1319659166	QLYBIJXRHHUFHS-UHFFFAOYSA-N	314.374	1.897	50	20	DDGD	
COc1ccc2[nH]c(C)c(C(=O)NNC(=O)NCC3CC3)c2c1	1319358871	VLHFYDAFYDJGAM-UHFFFAOYSA-N	316.361	1.839	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CC2(Cl)Cl)cc1	1318441082	FAYQAGNQVJOUNT-SECBINFHSA-N	303.145	1.650	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)C1CCNCC1)C1CCCCC1	1327469618	BGHSNQHDJBNABS-AWEZNQCLSA-N	310.442	1.675	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Nc1ccc(Cl)cc1)n1ccnc1	1325261965	JMZDNPPAQWMKHW-SECBINFHSA-N	307.741	1.950	50	20	DDGD	
O=C(NCCC1CCNCC1)NNC(=O)c1ccccc1Cl	1328730714	QEXJLTLPRMAXLO-UHFFFAOYSA-N	324.812	1.674	50	20	DDGD	
C=CCCOCC(=O)NNC(=O)c1cncn1-c1ccccc1	1324284064	XZYHRQCAYVAZDS-UHFFFAOYSA-N	314.345	1.226	50	20	DDGD	
COC(=O)C(=O)NNC(=S)Nc1cc(Cl)cc(Cl)c1	1322286787	SRANXZLOBVHEFO-UHFFFAOYSA-N	322.173	1.484	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H](C)[C@H]1CCC(=O)N1	1331554456	GSGXBBZDTGYNAE-WCBMZHEXSA-N	308.290	1.424	50	20	DDGD	
CCc1onc(C)c1NC(=O)C(=O)NNc1ncc(Cl)cn1	1331342301	NZZGZAIHISJELN-UHFFFAOYSA-N	324.728	1.071	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@]2(F)CCOC2)c1	1330917915	WLFVMBBGBLAWNW-CQSZACIVSA-N	307.350	1.114	50	20	DDGD	
CN(Cc1ccn(C)n1)C(=O)NC[C@]1(C)C[C@@H]1Br	1341859843	QPOKSQYTGGICCA-JQWIXIFHSA-N	315.215	1.735	50	20	DDGD	
C=CC[C@H](CC)NC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1347953340	UJSWNHSKRFSJPN-OUJBWJOFSA-N	317.227	1.747	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNc1ncc(Br)cn1	1262630933	OTTQZDVUYXXANX-DTWKUNHWSA-N	315.171	1.497	50	20	DDGD	
C[C@H](C(=O)NNC(=S)NCCc1cccs1)n1ccnc1	1347298240	OCFUGHRWFFVGQY-SNVBAGLBSA-N	323.447	1.244	50	20	DDGD	
C[C@@]1(COC(=O)CCN2C(=O)CCC2=O)C[C@@H]1Br	1526045325	UXONLRNWENXDHE-UFBFGSQYSA-N	318.167	1.242	50	20	DDGD	
C[C@@H]1[C@@H](C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)C1(F)F	1528400783	JREDVTKFFMLYDL-KCJUWKMLSA-N	312.320	1.807	50	20	DDGD	
CC(C)(C)OC(=O)C1(C(=O)NNc2ccccc2C(=O)O)CC1	1603359342	XPGHMOIUPOXGOB-UHFFFAOYSA-N	320.345	1.950	50	20	DDGD	
C/C(=C\CNS(=O)(=O)c1ccc(CCCl)cc1)C(=O)O	1602974312	AVVRXADRLBOWLM-JXMROGBWSA-N	317.794	1.777	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)cc1F)N[C@@H]1C[C@@H]2CC[C@H]1N2	1601557616	XZLPGPBMEWYKAM-XXILOJSOSA-N	308.313	1.043	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc(CC(=O)O)c2)o1	1607731659	ACHFLSFRLJWEAX-UHFFFAOYSA-N	302.286	1.290	50	20	DDGD	
Cc1ccc(NNC(=O)NCC2(C(=O)O)CCCCC2)nn1	1600461494	NKWNZGJWMZRRSC-UHFFFAOYSA-N	307.354	1.446	50	20	DDGD	
Cc1cnc(C=NNC(=O)[C@H]2CCCO[C@H]2c2ccnn2C)o1	1549312881	DEMFIXGRLNXWNQ-SMDDNHRTSA-N	317.349	1.335	50	20	DDGD	
COC1(C=NNC(=O)[C@@H]2CCCO[C@@H]2c2ccnn2C)CCC1	1549317139	VPMKUWJPFGJKHA-OCCSQVGLSA-N	320.393	1.559	50	20	DDGD	
NC[C@H](NC(=O)NNc1cccc(C(=O)O)c1)C1CCCC1	1610643252	DQEYAJQXMXTPBD-ZDUSSCGKSA-N	306.366	1.528	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@]2(C(F)(F)F)CCNC2)c1	1579832765	VQMYPWRTYOYDAG-NSHDSACASA-N	321.324	1.360	50	20	DDGD	
CC(C)C[C@@H](N)CC(=O)NNc1nc(-c2cccnc2)no1	1575631334	JZSOXBJDRPLRGR-LLVKDONJSA-N	304.354	1.338	50	20	DDGD	
C=C(Cl)C[C@H](N)C(=O)NNc1ccc(S(C)(=O)=O)cc1	1574857083	LTEYYLOZPBXMOM-NSHDSACASA-N	317.798	1.003	50	20	DDGD	
Cc1ccc(-c2ccsc2C(=O)NNC(=O)[C@@H]2CCN2)cc1	1579648506	IQBMQHPQZLEVQT-ZDUSSCGKSA-N	315.398	1.846	50	20	DDGD	
CC1(C)C[C@@]1(C(=O)O)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	1589219054	HILSCPVTZJSQIZ-ZDUSSCGKSA-N	311.269	1.678	50	20	DDGD	
C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NN(C)C1CC1	1589894862	OWSYYFRRFHHTAT-JTQLQIEISA-N	300.366	1.171	50	20	DDGD	
NC1(CC(=O)NNc2ccccc2OC(F)(F)F)COC1	1580144240	OXLMFVJXPDQTDV-UHFFFAOYSA-N	305.256	1.146	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN1)c1cc(Cl)ccc1OC(F)F	1580733357	SORWCRHKNZHLRA-QMMMGPOBSA-N	319.695	1.064	50	20	DDGD	
C[C@H](NC(=O)[C@]1(c2ccccc2)C[C@H]1Br)C(=O)O	1594234613	SQHYRBYTDOYUPF-PLMOITTCSA-N	312.163	1.681	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2ccc(C(=O)O)c(F)c2)CCN1C	1599934324	QCGBVNVGPUUQAR-UWVGGRQHSA-N	309.341	1.697	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1ccc(C(=O)O)n1C	1596917300	VEYOKWIDSNQRDU-LUAWRHEFSA-N	305.334	1.173	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(CC(=O)O)cc1)c1csnn1	1593102089	OUHNQQHDLBYYOH-MRVPVSSYSA-N	321.362	1.553	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N[C@@H](CC(=O)O)C(C)(C)C	1591111216	GJFHLXYATPVTTF-QWRGUYRKSA-N	315.414	1.047	50	20	DDGD	
CCc1nc(C(=O)NNc2ccc(C(=O)O)cc2OC)co1	1597651089	TXKTWOSCSKMCLP-UHFFFAOYSA-N	305.290	1.701	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2ccccc2C(=O)O)c[nH]1	1598919915	NWVNTTDROCWJCN-UHFFFAOYSA-N	303.274	1.256	50	20	DDGD	
O=C(NCCCC1CC1)NNc1ccc(-c2nn[nH]n2)cn1	1593066354	BHDKTKIDUOQOJE-UHFFFAOYSA-N	302.342	1.078	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=Cc1cc(C(=O)O)c(C)cc1C	1776102683	VXEZZSJFABANAQ-ZIAGYGMSSA-N	304.346	1.877	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2cccc(F)c2C(=O)O)n1	1776057870	MJYCXQPRGLHSPE-UHFFFAOYSA-N	301.277	1.991	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccncc1	16072276	OCZOXJCZIQTVHC-SNVBAGLBSA-N	303.293	1.449	50	20	DDGD	
COc1cc(C(=O)NNC(=O)OC(C)(C)C)cc2c1OCCO2	17398782	MBGYBGJUJIKKGB-UHFFFAOYSA-N	324.333	1.636	50	20	DDGD	
CCC[C@H]1CN(C(=O)NNC(=O)c2cccc(C#N)c2)CCO1	161036838	NXMYKKIDJDTYSQ-AWEZNQCLSA-N	316.361	1.414	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)c2ccccc2)c1Cl	151510178	PAIIBMLZKQTZBJ-UHFFFAOYSA-N	306.753	1.940	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2C)[nH]n1	153207571	FOINWNKETCPJNH-UHFFFAOYSA-N	303.278	1.010	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CCCc2nc(C)no2)c1	156741523	WLWVFBPXGCADOE-UHFFFAOYSA-N	308.313	1.992	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(Cc2cccc(O)c2)CC1	159815795	NHQGRWQPSNGFGJ-SQFISAMPSA-N	315.373	1.480	50	20	DDGD	
C[C@@H](NS(=O)(=O)c1ccc(CCl)cc1)C1(CO)CC1	696045880	WRXPETKMFPGWIZ-SNVBAGLBSA-N	303.811	1.865	50	20	DDGD	
O=S(=O)(NCCC1(CO)CC1)c1ccc(CCl)cc1	395918950	WKPMWKVYGYYUCO-UHFFFAOYSA-N	303.811	1.866	50	20	DDGD	
O=S(=O)(CBr)NCCCOC1CCCC1	782431980	NYHZTTDBMLKIQL-UHFFFAOYSA-N	300.218	1.608	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc(COc2ccc(F)cc2)o1	56370692	VMGINPQJHOXCQX-UHFFFAOYSA-N	307.281	1.572	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)NC2CC2)cc1OC	53919435	PCZISEQJFLJEIR-UHFFFAOYSA-N	307.350	1.590	50	20	DDGD	
C[C@H](CCC(=O)NNC(=O)N1CCOCC1)c1ccccc1	178776630	CZCKJDOCMGBTGF-CYBMUJFWSA-N	305.378	1.643	50	20	DDGD	
CC(C)C(=O)Nc1ccc(CNS(=O)(=O)CCl)cc1	111000632	USJHXOOJOWQTEH-UHFFFAOYSA-N	304.799	1.897	50	20	DDGD	
Cc1ncsc1CNC(=O)NNC(=O)c1ccccc1O	105255999	UHTFQRGNAZSKJC-UHFFFAOYSA-N	306.347	1.301	50	20	DDGD	
O=C(CC1=CCCCC1)NNC(=O)[C@H]1COc2ccccc2O1	106593558	BZGPDGYOXKPBKR-OAHLLOKOSA-N	316.357	1.864	50	20	DDGD	
O=Cc1ccc(OCCC(=O)NNC(=O)c2ccc[nH]2)cc1	109248908	MCNHYBNJQAFTFZ-UHFFFAOYSA-N	301.302	1.057	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1scnc1C	55353973	GMOZJSBKVMEINO-UHFFFAOYSA-N	305.359	1.464	50	20	DDGD	
COCc1ccccc1C(=O)NNC(=O)c1ccccc1O	28883490	QLPDIOROLZSGPX-UHFFFAOYSA-N	300.314	1.613	50	20	DDGD	
O=C(NNC(=O)c1cnn(-c2ccccc2)c1)Nc1ccccn1	113361926	WXIZEPUPCMDDOB-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1nnc(-c2ccccc2)o1	110103195	KOYFYWGUUPPCMB-VIFPVBQESA-N	320.374	1.775	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@]2(O)CCOC2)cc1	178919565	FTPHIOVTBAKKPX-RKCSUWQLSA-N	316.357	1.260	50	20	DDGD	
CC1CCC(=CC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)CC1	114635114	JTNYWENYRWCQBK-TYZXPVIJSA-N	314.451	1.615	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cncc(C)c2)cc1	175666969	MVVMQFLUAOFYTP-UHFFFAOYSA-N	313.357	1.792	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(CCO)Cc1ccccc1	111201165	FLVISCQRQPHAGN-CQSZACIVSA-N	321.421	1.063	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@H]1CCc2ccccc2C1	117499713	AFQYSPZZPVWAIG-LBPRGKRZSA-N	305.378	1.158	50	20	DDGD	
CCn1c(NNC(=O)C2[C@H]3CCC[C@@H]23)nc2ccccc2c1=O	178094801	VWZYVUDQRYHJEI-BVUQATHDSA-N	312.373	1.906	50	20	DDGD	
Cn1nccc1C(=O)NNC(=O)c1c(Cl)cccc1Cl	170811958	PZSVDMGFAPXSKR-UHFFFAOYSA-N	313.144	1.802	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@H]1CSc2ccccc21	175803259	OMLPPZSXUFTNGP-ZDUSSCGKSA-N	313.382	1.661	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)Cc2ccccc2F)CCC1	129201399	YBHYGVMQLDLDAP-UHFFFAOYSA-N	322.336	1.249	50	20	DDGD	
CC#CCCCC(=O)NNc1ncc(C(=O)OCC)c(C)n1	185039939	WGKZHNYNFYAZTP-UHFFFAOYSA-N	304.350	1.598	50	20	DDGD	
CN(C)CC(=O)NNC(=O)CCc1ccc(Cl)cc1Cl	75653799	FDSNOGQKMGHSHE-UHFFFAOYSA-N	318.204	1.635	50	20	DDGD	
O=C(Cn1nc(-c2ccccc2)ccc1=O)NNc1ccncc1	180464964	WQMYXWCFDQNARR-UHFFFAOYSA-N	321.340	1.449	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@@H]1CC(=O)N(CC(F)(F)F)C1	182518088	VZTOHQMIMOATMR-SSDOTTSWSA-N	320.246	1.075	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)ccc1F	126165378	AMPGFOAFNUUWAB-UHFFFAOYSA-N	309.341	1.656	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)/C=C/c1ccc(C)cc1	77163945	GUQIWMXTPZPWOD-ZHACJKMWSA-N	317.389	1.460	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@H]1c2ccccc2C[C@H]1O	184431333	CWIZNCPDKIMBNJ-OLZOCXBDSA-N	303.811	1.583	50	20	DDGD	
Cc1ncn(CC(=O)NNC(=O)c2ccccc2Cl)c1C	72610302	MYGDAUWTGKKRBR-UHFFFAOYSA-N	306.753	1.615	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc2c(F)cccc2[nH]1	73965175	RBXNGXZZHCOTMM-UHFFFAOYSA-N	300.293	1.720	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)CCC(F)(F)F	79337077	HXJFYIPHFKBLRN-UHFFFAOYSA-N	314.267	1.746	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H](C)NC(=O)CC(C)(C)C)n1	187678090	DWUPDGSSILBBKW-SNVBAGLBSA-N	308.382	1.474	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@@H]2C[C@@]2(C)C(C)C)cc1	188292064	IYGHEMUYONAKAR-YOEHRIQHSA-N	319.405	1.937	50	20	DDGD	
C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NN(C)C(N)=O	181059548	LHNOJTYYRHBDNV-LURJTMIESA-N	306.149	1.802	50	20	DDGD	
COc1ccnc(NNC(=O)Cc2cc(F)ccc2OC)n1	185633838	YIWWXVYROCPREK-UHFFFAOYSA-N	306.297	1.319	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)C[C@@H]1CCCOC1	193125656	WXKXSXWKJVOMHL-HNNXBMFYSA-N	304.390	1.973	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cn(CCC(C)C)nn2)o1	84292248	XJFOSBVDBGEQBO-UHFFFAOYSA-N	305.338	1.300	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc(Cl)n2)c(O)c1	130203828	DURFOKXCEHBVCA-UHFFFAOYSA-N	305.721	1.824	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1ccc(F)cc1C#N	192472284	QUKGKAJODPGVJQ-UHFFFAOYSA-N	301.281	1.502	50	20	DDGD	
Cc1cccc(NC(=O)NCC(=O)NNc2cnccn2)c1	133477613	PPHCKOWIXDHQQU-UHFFFAOYSA-N	300.322	1.050	50	20	DDGD	
CC[C@H](C)CC(=O)NNC(=O)C1CCN(c2ncccn2)CC1	191257845	XBDCIPOIZXXPGC-LBPRGKRZSA-N	319.409	1.277	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCCC(=O)N(C)C)cc1	194769843	ODJVBQASAPLDGV-SDNWHVSQSA-N	315.373	1.587	50	20	DDGD	
CC(C)CCC(=O)NCC(=O)NNc1ncnc2ccsc12	132889968	TWDNGCNIARAKHT-UHFFFAOYSA-N	321.406	1.687	50	20	DDGD	
Cn1cc(/C=C/C(=O)NNc2ncnc3ccsc23)cn1	132350085	QXHKLWSYJSQRKR-NSCUHMNNSA-N	300.347	1.581	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC1CCN(CC(F)(F)F)CC1	195297818	SPNHUJBVFOSLAL-UHFFFAOYSA-N	324.347	1.390	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccnc(Cl)c2)n1	198708848	LYBDNFCZCRWYPZ-UHFFFAOYSA-N	307.741	1.010	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1ncc(F)cc1F	192293528	ZGZVOHFWCCBPRD-UHFFFAOYSA-N	309.247	1.503	50	20	DDGD	
C=CCCOCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	143822698	YKGPLYMQYFXCRK-UHFFFAOYSA-N	314.345	1.430	50	20	DDGD	
CSCCNC(=S)NNC(=O)Cc1c(F)cccc1F	94121578	QEJWUTONVLJFSM-UHFFFAOYSA-N	319.402	1.366	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)cc1	97373021	IHLJDXBYASWIQY-ZDUSSCGKSA-N	311.407	1.252	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21	269041371	XANIOJBVRBCFQT-IIAWOOMASA-N	301.390	1.949	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](C)NC(=O)C2CCCC2)cc1	266989151	HDNOCMXTIDRYHN-NSHDSACASA-N	305.378	1.833	50	20	DDGD	
CC(=O)N/C(=C\c1ccccc1)C(=O)NNC(=O)OC(C)(C)C	263714751	QZTPWIKGOZANGQ-RAXLEYEMSA-N	319.361	1.720	50	20	DDGD	
Nc1c(O)nc(O)nc1C(=O)NNc1cccc2c1CCCC2	269589420	PPJURJAHGRSKRP-UHFFFAOYSA-N	315.333	1.106	50	20	DDGD	
Cc1cccc(C)c1NCC(=O)NNC(=O)NC1CCCC1	266094027	JFSBISPZEZPZPB-UHFFFAOYSA-N	304.394	1.988	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CCc1nc(-c2ccoc2)no1	265855078	XYXCVXVAZKOOPD-UHFFFAOYSA-N	306.322	1.456	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1c1ccccc1)c1ccncc1	365521112	ZZHWEMJCCYYLOT-OAHLLOKOSA-N	310.357	1.512	50	20	DDGD	
CC(C)Cc1nc(C(=O)NNc2nccn(C)c2=O)cs1	267062708	DQOJOVQKQSXYLG-UHFFFAOYSA-N	307.379	1.192	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)c1ccc2c(c1)OCCO2	269734145	ZWLUSZVAAOFAJE-SNVBAGLBSA-N	308.334	1.034	50	20	DDGD	
C[C@H]1CCC[C@H]1NC(=O)NNc1cccc(S(C)(=O)=O)c1	271928326	ZPRLCPISEDWHEZ-GXFFZTMASA-N	311.407	1.905	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2ccc(C(F)(F)F)cn2)CC1	274723288	GAWPGWRCLWVKFH-UHFFFAOYSA-N	302.256	1.070	50	20	DDGD	
CCOc1cc(C)ccc1NC(=O)C(=O)NNC(=O)[C@@H](C)CC	274070068	NWQUFZJBFHSGQX-NSHDSACASA-N	321.377	1.526	50	20	DDGD	
O=C(NNC(=O)C1CCN(C2CC2)CC1)c1ccccc1F	278369443	ZJLOXZGNJXTJMC-UHFFFAOYSA-N	305.353	1.461	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](C)Sc1ccc(OC)cc1	271443008	SGMXTMURKVOITF-SNVBAGLBSA-N	311.407	1.868	50	20	DDGD	
O=C(NCCN1CCSCC1)NNc1cc(Cl)ccn1	272272032	CNWYFKUNBAAGPZ-UHFFFAOYSA-N	315.830	1.410	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cccc([C@@H]2CCOC2)c1	270463006	JVRINIQUQUKELH-CQSZACIVSA-N	321.377	1.171	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2C[C@@]23CCOC3)c(C)c1	373403888	AMIDLPVWNFSLJQ-SUMWQHHRSA-N	317.389	1.289	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H](OC)c1cnn(C)c1	280929774	AMSOOPZAPSJOEX-CYBMUJFWSA-N	321.289	1.630	50	20	DDGD	
CSSCCNC(=O)C1=C(C)N(C)c2ncnn2[C@@H]1C	285753374	QNMXCCHPIQCKMD-SECBINFHSA-N	313.452	1.690	50	20	DDGD	
COCCN(C)NC(=O)C(C)(C)c1ccc2c(c1)OCCO2	288402994	GDQRIPUSMIBLSN-UHFFFAOYSA-N	308.378	1.345	50	20	DDGD	
CCCC(=O)N1CCC[C@H](C(=O)NNc2cccc(F)n2)C1	286675587	WKWNQCPPZBQRQQ-NSHDSACASA-N	308.357	1.703	50	20	DDGD	
Cn1cnc2cc(C(=O)NNC(=O)NCC(F)(F)F)ccc21	281302397	RNVQXHSRGYUVRQ-UHFFFAOYSA-N	315.255	1.080	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)N[C@H](C1CC1)C(F)(F)F	288947814	WVKJICHGARVTSO-SECBINFHSA-N	314.271	1.696	50	20	DDGD	
CC(C)[C@@H](NC(=O)NN(C)c1ccccc1)c1nncn1C	286755561	FOSQPCXISXEKST-CYBMUJFWSA-N	302.382	1.863	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cccc(C)c1F	288108230	XOTXESQYLNVGEF-UHFFFAOYSA-N	312.341	1.684	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)COCc1ccccc1)C(F)(F)F	288818299	JWXORFWIQONATH-VIFPVBQESA-N	319.283	1.484	50	20	DDGD	
O=C(NC[C@@H]1CCCC(F)(F)C1)NNC(=O)c1ccc[nH]1	283808053	OKEVUMGLPJHDDD-SECBINFHSA-N	300.309	1.784	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)O1	282868879	RJLQHBICIQPXCI-STQMWFEESA-N	319.361	1.039	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@H]2CCCCO2)cc1	299222797	UVOKFPKWHSLTMU-CQSZACIVSA-N	305.378	1.762	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(C)(C)F	294670307	OSAKQZBZWCPXNB-UHFFFAOYSA-N	303.359	1.128	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)C1(F)CCCCC1	809983610	LTHAKPUVODQLNG-UHFFFAOYSA-N	318.352	1.856	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCc1scnc1C	296366817	RADOMHLNYWOUBV-UHFFFAOYSA-N	318.402	1.947	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccc2oc(O)nc2c1	805166447	JIKIMQXYPSYHSI-UHFFFAOYSA-N	318.211	1.040	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)COc1ccc(C#N)cc1)C(C)(F)F	292708903	OFNMCQYMIGRPGD-VIFPVBQESA-N	311.288	1.376	50	20	DDGD	
CO[C@H]1CN(C(=O)c2c(C)nn(CCCl)c2C)CCO1	807924182	PCULPZAQKWGCQA-LLVKDONJSA-N	301.774	1.184	50	20	DDGD	
CS[C@@H](C)CCC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	801108233	JGNQZSNMJLOOLP-NSHDSACASA-N	323.418	1.613	50	20	DDGD	
Cc1ccc(F)c(S(=O)(=O)NNC(=O)[C@H]2CCCCO2)c1	296689210	JOPQREUUAGVISL-LLVKDONJSA-N	316.354	1.013	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNc1cc(C(F)(F)F)ccn1	295520235	IKMPCNIEJFXOQK-UHFFFAOYSA-N	320.271	1.678	50	20	DDGD	
CCc1c(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)cnn1C	803430614	ILPZDZMEWIZOJL-UHFFFAOYSA-N	311.345	1.581	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)CC2CC2)Cc2ccccc2C(=O)O1	294037333	DRBDBCBSBYXJMW-INIZCTEOSA-N	302.330	1.106	50	20	DDGD	
CSSCCNc1cccc(S(N)(=O)=O)c1C#N	804700096	OIEBLJAPOCFRQH-UHFFFAOYSA-N	303.434	1.629	50	20	DDGD	
C[C@@](O)(CC(=O)NNC(=O)[C@H]1CCCCO1)c1ccccc1	295771347	RJGKRBJVRYDDNZ-CZUORRHYSA-N	306.362	1.001	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)CSc2ccc(O)cc2)O1	293939060	OZAGMFDJKKSRDO-CABZTGNLSA-N	310.375	1.199	50	20	DDGD	
CN1CCCC[C@@H]1C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802092920	IDVGNFGALNZAKF-LLVKDONJSA-N	320.349	1.052	50	20	DDGD	
CSc1ccsc1C(=O)NNC(=O)[C@@H]1CCCCO1	295639465	TYKALUZURSCICN-QMMMGPOBSA-N	300.405	1.800	50	20	DDGD	
CCOC1(C(=O)NNC(=S)NCCSC)CCCC1	802985434	DHHYFJWWMBSAHO-UHFFFAOYSA-N	305.469	1.194	50	20	DDGD	
COC(=O)NNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2	298083966	PMBCPLWJVCKMLT-UHFFFAOYSA-N	318.308	1.501	50	20	DDGD	
O=C(NNc1ncccn1)N[C@H]1CCN(c2ccccc2F)C1	293260000	GBWSSIDMAQJCEY-NSHDSACASA-N	316.340	1.521	50	20	DDGD	
CSc1ccc(C(=O)NNC(=O)CC2CC2)cc1[N+](=O)[O-]	294042701	FCDVSYNJLBYECG-UHFFFAOYSA-N	309.347	1.878	50	20	DDGD	
COCCN(C)NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-]	294284394	GUIQDUQXHUVYJD-UHFFFAOYSA-N	311.338	1.282	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)CNC(=O)OC(C)(C)C)c1	293822842	DBDYDYBOJTUCAF-UHFFFAOYSA-N	322.365	1.613	50	20	DDGD	
CCc1csc(CC(=O)NNc2nc3ccccn3n2)n1	801230061	XJYHTDMUKVAJDP-UHFFFAOYSA-N	302.363	1.434	50	20	DDGD	
CC(C)Oc1ncccc1C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	295593795	MMMMDQTWYYAKCF-JQWIXIFHSA-N	307.350	1.197	50	20	DDGD	
Cn1c(Cl)cnc1C=NNC(=O)Nc1ccc2c(c1)OCO2	814992545	HQWTVALHPGQZGP-UHFFFAOYSA-N	321.724	1.958	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1cnn(-c2ccccc2)c1	815004015	UICVMDFMGCTBGA-UHFFFAOYSA-N	306.329	1.845	50	20	DDGD	
COc1cnc(C(=O)NNc2cc(C#N)cc(Cl)n2)nc1	815906057	LIZBOINVKWFHHM-UHFFFAOYSA-N	304.697	1.162	50	20	DDGD	
CCCc1[nH]ccc1C(=O)NNC(=S)NCCSC	817557718	MRUZZLGMRPMDBQ-UHFFFAOYSA-N	300.453	1.439	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=C1CCCc2cc(C(=O)O)ccc21	814957936	UPBXJAVLBOIJLC-UHFFFAOYSA-N	312.329	1.507	50	20	DDGD	
C[C@@H](CCCc1ccccc1)C(=O)NNC(=O)c1ccnnc1	817693484	PMTAMMCYHUHOSB-ZDUSSCGKSA-N	312.373	1.897	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=S)NC2CCC2)cc1OC	814191112	GYNUCEYUONOKHW-UHFFFAOYSA-N	323.418	1.755	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)c1cc2n(n1)CCO2	810594700	MUTDAMYAFQAIIT-UHFFFAOYSA-N	302.319	1.037	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccc2oc(O)nc2n1	816917965	IWCLVKZXUUTWLM-UHFFFAOYSA-N	315.245	1.594	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cc(F)c[nH]2)cc1C	814720628	TVHVTOAWXSRODK-UHFFFAOYSA-N	305.309	1.611	50	20	DDGD	
COCCOCCOC(=O)/C(C#N)=C/c1ccc(OC)cc1	729094178	FIPXUYBEURBENM-SDNWHVSQSA-N	305.330	1.808	50	20	DDGD	
O=C(NNc1cccc(F)c1)c1sccc1-c1nn[nH]n1	826449493	VTKKZQMOTWHECG-UHFFFAOYSA-N	304.310	1.824	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1csc(Br)n1	821783361	IDYJQDOFIYRIHZ-UHFFFAOYSA-N	307.173	1.212	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(O)cc(Br)c1	823908174	UPEUDMLMIPSPOB-SSDOTTSWSA-N	303.156	1.112	50	20	DDGD	
C/C=C(/CC)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	492741621	ABMARTHDEPMJHE-WDZFZDKYSA-N	313.398	1.795	50	20	DDGD	
COc1ncc(/C=C/C(=O)NNc2nccnc2C(C)C)cn1	493070929	NBXJQXGDIIHQIU-SNAWJCMRSA-N	314.349	1.555	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CSC[C@@H]2CCCO2)cc1	727374955	CRGPDWLOJOENII-ZDUSSCGKSA-N	319.386	1.231	50	20	DDGD	
O=C(/C=C\[C@H]1CCOC1)NNC(=O)Nc1ccc2c(c1)OCO2	493724278	OPEXUCMWGXLINS-GZXOQBQISA-N	319.317	1.161	50	20	DDGD	
CC(C)C(=O)NNC(=O)CCN(C)C(=O)OCc1ccccc1	492637074	WDSGDEWSKAYBOR-UHFFFAOYSA-N	321.377	1.449	50	20	DDGD	
Cc1ccccc1[C@@H](NC(=O)c1cccc(B(O)O)c1)C(C)C	584945885	VJUNYRXUWCYGAK-KRWDZBQOSA-N	311.190	1.802	50	20	DDGD	
CCCN1CCC[C@@H](C(=O)NNC(=O)NCc2ccco2)C1	906416774	FVHONLITEBUIJZ-GFCCVEGCSA-N	308.382	1.232	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CSC[C@H]1CCCCO1	491099287	ZZUBSEROJZBOJU-SNVBAGLBSA-N	304.412	1.845	50	20	DDGD	
Cc1cc(Br)c(C(=O)NN(C)[C@@H](C)CO)s1	823917738	MYRJCAFNBDPNRV-LURJTMIESA-N	307.213	1.776	50	20	DDGD	
CC(C)C(=O)NNC(=O)CCN(C(=O)OC(C)(C)C)C1CC1	496198738	RXHUUWUERVSOPL-UHFFFAOYSA-N	313.398	1.579	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2csc([N+](=O)[O-])c2)ccn1	731562205	QIOYQQDLPLEMAO-UHFFFAOYSA-N	319.346	1.881	50	20	DDGD	
O=C(/C=C/c1ccc[nH]1)NNC(=O)Nc1ccc2c(c1)OCO2	492890883	CEDWNGKUTXOMEP-GQCTYLIASA-N	314.301	1.610	50	20	DDGD	
COCCN(CC(=O)NNC(=O)C1CC1)[C@@H](C)c1ccccc1	733194644	FHLUTLVQUWHUJN-ZDUSSCGKSA-N	319.405	1.253	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@@H]2CCC=CO2)cc(C#N)n1C	490912067	WPEXLSURBMNIBO-KAMPRCONSA-N	310.357	1.921	50	20	DDGD	
O=C(COC1CCOCC1)NNC(=O)c1c[nH]c2ccccc12	735270628	UUWPLSSBEVHILJ-UHFFFAOYSA-N	317.345	1.125	50	20	DDGD	
CCCN(NC(=O)CSCC(C)=O)C(=O)OC(C)(C)C	496256238	RDJDEHPWYUUITL-UHFFFAOYSA-N	304.412	1.987	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC	490753068	ILDZOZMSOZREDR-ZQHYZAEZSA-N	316.357	1.721	50	20	DDGD	
CC(C)N1CCN(CCCC(=O)NNc2ccnc(F)c2)CC1	907277650	SEKORHSONXVDGO-UHFFFAOYSA-N	323.416	1.470	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@@H](Cc1ccc(F)cc1)C(=O)OC	905013020	OUDKNOHMRJQONP-HCYCVZQXSA-N	320.320	1.470	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1cccc(N2CCOC2=O)c1	491097508	AQQSMJLZWNEREE-UHFFFAOYSA-N	304.350	1.045	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2nc(-c3ccncc3)no2)nc1	730833101	YSCBTAXCOWLVRZ-UHFFFAOYSA-N	307.273	1.155	50	20	DDGD	
Cc1ccccc1[C@@H](C)CC(=O)NNc1nnc(C)c(O)n1	734863358	SGVPEVBLJBLXLU-JTQLQIEISA-N	301.350	1.831	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCCO1)c1ccc([S@](C)=O)cc1	834989271	QDZOPUHUJIYXLB-SZNDQCEHSA-N	308.403	1.833	50	20	DDGD	
COc1cc(C)cc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1C	831742174	VPLJSRQNASVFLZ-VXGBXAGGSA-N	321.377	1.890	50	20	DDGD	
CC(C)CC[C@@H]1CCCCN1C(=O)c1cc(B(O)O)ccc1F	584963296	XPRRUOFILNWJJM-AWEZNQCLSA-N	321.201	1.936	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2cc3cc(Cl)cnc3o2)CC1	834971704	AIHDXZYBGNYAKK-UHFFFAOYSA-N	321.768	1.772	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2	730592521	JMWNQSZSKVKALY-OBJOEFQTSA-N	318.446	1.782	50	20	DDGD	
CCCC[C@@H](COC)NC(=O)NNC(=O)[C@H]1CCCCO1	836314877	VXZRABLGYBXPSW-NWDGAFQWSA-N	301.387	1.091	50	20	DDGD	
C[C@H]1CCc2ccccc2[C@H]1NCc1ccc(B(O)O)cc1F	585035531	UTWWAQOHWYDSPK-SGTLLEGYSA-N	313.181	1.919	50	20	DDGD	
C[C@H]1CCCCN1CCCCNCc1ccccc1B(O)O	585016429	YFAKAABILUMRDA-HNNXBMFYSA-N	304.243	1.111	50	20	DDGD	
COC[C@@H](OC)C(=O)NNc1cccc(Br)c1	830767030	UVRBZAVCCNXFON-SNVBAGLBSA-N	303.156	1.554	50	20	DDGD	
CC[C@]1(C)COCCN1CC(=O)NNC(=O)c1ccc(F)cc1	839532230	KQWXQWHVYZLROJ-MRXNPFEDSA-N	323.368	1.088	50	20	DDGD	
Cc1cc(Br)c(C(=O)NNC(=O)N(C)C)s1	837375046	CJNNJOLHXPPADP-UHFFFAOYSA-N	306.185	1.735	50	20	DDGD	
CC[C@@H](NCc1ccc(B(O)O)cc1F)c1nc(C)cs1	585023506	IXDUKPDZWXVXFH-CYBMUJFWSA-N	308.187	1.511	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)COc1ccc(OC)cc1	834922639	KIQQYFGFJJPTAE-UHFFFAOYSA-N	317.349	1.144	50	20	DDGD	
CCc1nnc(C(=O)NNC(=O)CCOc2ccccc2)s1	900436456	XKMRICXCFMROBJ-UHFFFAOYSA-N	320.374	1.331	50	20	DDGD	
OB(O)[C@H]1CCN(Cc2c(Cl)cccc2OC(F)F)C1	585076561	ONDQSIAXPGAAQV-QMMMGPOBSA-N	305.517	1.990	50	20	DDGD	
C[C@H](OC1CCCCCC1)C(=O)NNC(=O)[C@H]1CCCCO1	833247288	ZSDUFCLXXUYVAZ-GXTWGEPZSA-N	312.410	1.831	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1csc(Nc2ccccn2)n1	736066385	FNXAVYFDESFPDJ-UHFFFAOYSA-N	303.347	1.453	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2cccc([N+](=O)[O-])c2)ccn1	731560800	BLMVSNHAMPMWTM-UHFFFAOYSA-N	313.317	1.820	50	20	DDGD	
O=C(NNC(=O)c1cccc(OC(F)F)c1)NOCC1CC1	838607159	RTTRVJCSKSLXCG-UHFFFAOYSA-N	315.276	1.574	50	20	DDGD	
CO[C@@H]1C[C@@H](NC(=O)NNc2cncc(Cl)n2)C12CCC2	838766071	KHWBQEFDCJLVBB-RKDXNWHRSA-N	311.773	1.714	50	20	DDGD	
CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@@H]1C	834944435	QTLWXMDNFHMWQX-CYZMBNFOSA-N	315.439	1.675	50	20	DDGD	
Cc1cc(C)c2c(c1)CCN(C(=O)c1ccc(B(O)O)cc1)C2	584973682	IUBSYCSACJUVLS-UHFFFAOYSA-N	309.174	1.182	50	20	DDGD	
CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1cccc(C)c1C	734299278	LRWZNCYFYPNNKG-LBPRGKRZSA-N	311.407	1.081	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	919972686	JTNAVIKACLCHKG-GWCFXTLKSA-N	312.341	1.556	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836316824	AXMJFLPHZLZYEL-VIFPVBQESA-N	324.337	1.176	50	20	DDGD	
C[C@@H](N)C[C@@H](C)NC(=O)NNC(=O)CCCc1ccccc1	831202535	IGJFWBSGKSWONJ-CHWSQXEVSA-N	306.410	1.466	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	837405523	QIZUMNASRAETFP-WCQGTBRESA-N	304.321	1.131	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)Cc1ccccc1OC)C(F)F	836509481	QVSWHQXNLDTVNQ-JTQLQIEISA-N	315.320	1.612	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)C2CCCC2)c1OC	914842770	NGOYWJRGCMHTCN-UHFFFAOYSA-N	320.389	1.974	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@H]2CC23CCCC3)cc1	747511149	GABXZYTTWJFUAK-CQSZACIVSA-N	317.389	1.835	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)N1CC(F)C1	841585630	DGHODLQYJRCUHS-QMMMGPOBSA-N	315.732	1.502	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccc(F)cc1	843642090	DSYRITPABVHSQB-JTNHKYCSSA-N	308.353	1.892	50	20	DDGD	
COc1nc(C(=O)NNC(=O)NCC2CC2)cc2ccccc12	742376423	ZEGAUIUHXSXBDV-UHFFFAOYSA-N	314.345	1.597	50	20	DDGD	
CCN1CCC(=NNC(=O)[C@H](C)CN2CCCCC2)[C@@H](C)C1	741454787	HLNUGLBUCKPMLD-LSDHHAIUSA-N	308.470	1.942	50	20	DDGD	
Cn1c(CC(=O)NN=Cc2ccc(C#N)o2)nc2ccccc21	743427415	VQAVSRYZMZKAKZ-UHFFFAOYSA-N	307.313	1.731	50	20	DDGD	
C/C(=C/c1ccco1)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	846783799	DCFAMOBSUGILKE-MMRAYRKESA-N	312.391	1.175	50	20	DDGD	
CCn1nc(C)c(CNC(=O)[C@@]2(C)C[C@@H]2Br)n1	911279891	QATRPSWHLOKGNS-ONGXEEELSA-N	301.188	1.396	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNc2cccc([N+](=O)[O-])c2)n1	748001658	AIWYOLLPVXXONP-UHFFFAOYSA-N	316.273	1.533	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cn(-c2ccccc2)cn1	844619107	AZLOWUDUZLAQFH-AAEUAGOBSA-N	314.345	1.058	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc2cccnc2s1	843659116	IAZLKEHGMDGAHB-WCBMZHEXSA-N	305.359	1.482	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H]2C[C@H]2C2CCC2)c1	845077520	XZXAIXZXCCRLLW-LSDHHAIUSA-N	302.374	1.957	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CN[C@@H](c1ccccc1)C(F)(F)F	910163909	SVKJSLQOECKEEO-GWCFXTLKSA-N	319.327	1.223	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@H](C)Cc2cnc[nH]2)cc1	848240960	JBQJVVRJUFGTLA-LLVKDONJSA-N	316.361	1.447	50	20	DDGD	
COCC1(CC(=O)NNc2ccc(OC)cc2[N+](=O)[O-])CC1	843833218	QGXMVGIGTXTKTK-UHFFFAOYSA-N	309.322	1.863	50	20	DDGD	
NCCCCCC(=O)NNc1ncc(Br)cn1	848436066	FBQAREXZIYMFLV-UHFFFAOYSA-N	302.176	1.201	50	20	DDGD	
CCC[C@@H](C)NC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	745261445	PCSFYZUPMPLQIX-MRVPVSSYSA-N	310.310	1.433	50	20	DDGD	
C[C@H](CCO)SCC(=O)NNC(=O)c1ccccc1Cl	742452897	FQCGKTUZXHHLLZ-SECBINFHSA-N	316.810	1.605	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@H](C)CSC)cc1	845005954	USRXIFBHMBXJHA-SNVBAGLBSA-N	311.407	1.780	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1C(=O)Nc2c(C)cc(C)cc21	748260887	ZMXHNCBNYNAKAO-NSHDSACASA-N	319.361	1.127	50	20	DDGD	
Cc1cc(C)n(CCCC(=O)NNC(=O)c2cccn2C)n1	929437468	XDVMPPRVWDJWKD-UHFFFAOYSA-N	303.366	1.080	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)N[C@H](C)CCN)cc2C1	841967856	QPJHRPOXYAJBPZ-NXEZZACHSA-N	324.450	1.554	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1cc(C(=O)O)ccc1C	842562934	ZXJAAYNGNWFFFV-DGCLKSJQSA-N	304.346	1.958	50	20	DDGD	
CC(C)COCCC(=O)NNc1ncc(Br)cn1	848320251	OFIKEIVWEHGHDN-UHFFFAOYSA-N	317.187	1.745	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)[C@@H]2CCO[C@H]2C)[C@H](C)C1	842561518	LBVKJJJVSIQOAR-YVECIDJPSA-N	310.394	1.883	50	20	DDGD	
COC[C@@H](CNC(=O)NNc1ccc(Cl)cc1C)OC	921876827	QJCIYHKTZQBPFA-LLVKDONJSA-N	301.774	1.936	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2SCCCS2)nc1	841410562	FQQZGFMKAVPQLW-UHFFFAOYSA-N	313.404	1.508	50	20	DDGD	
C#CCN(CC(=O)NCCSSC)C(=O)OC(C)(C)C	854392895	AVEOEBAQZXUSPC-UHFFFAOYSA-N	318.464	1.984	50	20	DDGD	
O=C(OC[C@@H](CBr)C1CC1)C1(CO)CCOCC1	859719581	MUBJRJOEMIJDBW-LLVKDONJSA-N	321.211	1.740	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2C[C@H]3CC[C@H]2NC3)C[C@H]1Br	857007791	UXZHQDUJDFTGDE-UYNYGYNWSA-N	301.228	1.664	50	20	DDGD	
CN1CCC(NC(=S)NC[C@]2(C)C[C@@H]2Br)CC1	857204427	RPJNSCYRNSLVLQ-JQWIXIFHSA-N	320.300	1.718	50	20	DDGD	
COc1cc(C(=O)NNc2cc(C(F)(F)F)ccn2)on1	857514274	XKVPPMIQLVWWDJ-UHFFFAOYSA-N	302.212	1.854	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](C)CN2CCOCC2)cc1F	853356523	VYQOOXRUCYVUKK-GFCCVEGCSA-N	310.373	1.481	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(C)c(NC(C)=O)c1	755912225	BCGQSTYUXFFFCR-UHFFFAOYSA-N	308.338	1.143	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@@H]1CCC[C@H]2OCC[C@H]12	856878675	YHMOBVHHYDLTFV-GMTAPVOTSA-N	311.773	1.714	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)c1ccc2c(c1)CC(C)(C)O2	753363087	ZFANVXSBWWWROF-UHFFFAOYSA-N	312.391	1.366	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCO2)Nc1ccc(F)nc1	757720653	WSGLRJQKQKMFKF-UHFFFAOYSA-N	318.264	1.416	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCc1cccnc1Cl	855006687	QBBXJASWFLWNPF-GXSJLCMTSA-N	311.769	1.240	50	20	DDGD	
CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NNc1ccc(F)c(F)c1	921725570	ALNIUKDBUPAZRF-CABZTGNLSA-N	312.320	1.506	50	20	DDGD	
COc1ccc(CCC(C)=NNC(=O)c2cnn(C)c2)cc1O	754942634	CKVXJGAAORUGOK-UHFFFAOYSA-N	316.361	1.873	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Nc1nnc2ccccn12	756432103	GQENASNVHRVODG-UHFFFAOYSA-N	310.317	1.504	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1cc([N+](=O)[O-])ccc1O	758115138	AJBDBYBQIIFAFL-UHFFFAOYSA-N	308.294	1.066	50	20	DDGD	
CC[C@@H]1C[C@@H](C(=O)NN(C)C(=S)NCCCOC)CCO1	854284038	UYYBSCUBSRUEFP-NWDGAFQWSA-N	317.455	1.066	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@@H](O)c1ccncc1	750494754	DHUJEHWVVXCKCY-CYBMUJFWSA-N	322.796	1.597	50	20	DDGD	
COC[C@H](NC(=O)NC[C@@]1(C)C[C@H]1Br)C1CC1	856842388	FUHATSHUCRCSDU-HOSYDEDBSA-N	305.216	1.884	50	20	DDGD	
CC(C)[C@H]1C[C@H](CC(=O)NNC(=O)c2cccc(F)n2)CCO1	856422708	BWRCXPYSSUKZMU-DGCLKSJQSA-N	323.368	1.823	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(C)n(-c2cccc(F)c2)n1	757922838	FUOCPRNPHCNHTL-UHFFFAOYSA-N	321.312	1.119	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1F	853683119	MOEBUODFNPRWPZ-ZIAGYGMSSA-N	322.384	1.623	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cn(C)nc1C(F)F)C1CC1	855098066	DCLZJKYOKWKQIF-LURJTMIESA-N	317.365	1.265	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C)c1ncc[nH]1	853372955	FVWAJBJIZBBQFQ-VXGBXAGGSA-N	316.365	1.151	50	20	DDGD	
CCNC(=O)NN=Cc1cc(O)c(O)c(Br)c1	757574777	JDESZNWMJOUNOI-UHFFFAOYSA-N	302.128	1.513	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc2nc(O)n(C(C)C)c2c1	854409693	LDEUUKIPXGFAAL-UHFFFAOYSA-N	306.322	1.666	50	20	DDGD	
Cc1cc(C=NNC(=O)CCCNC(=O)C(C)(C)C)n(C)n1	853408796	XENNWMDRDWJGTH-UHFFFAOYSA-N	307.398	1.121	50	20	DDGD	
CN(CC(C)(C)CO)C(=O)NC[C@@]1(C)C[C@@H]1Br	856959814	XXQWFBGPNBTQPT-JOYOIKCWSA-N	307.232	1.820	50	20	DDGD	
CNC(=O)NN=C(C)c1ccc(OCC(=O)N2CCCC2)cc1	920376957	BQLRPUZEWCHICH-UHFFFAOYSA-N	318.377	1.341	50	20	DDGD	
CNC(=O)CC1(CNC(=O)NNc2ccccn2)CCCCC1	852651651	HWCOQGPMEDWUQN-UHFFFAOYSA-N	319.409	1.794	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F	755172000	WDHGUZISBDUAPT-MRVPVSSYSA-N	312.301	1.578	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cc(C(F)(F)F)nn1C	853001135	LONCSTBBYVWVAR-VMPITWQZSA-N	302.256	1.108	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2cccc(OC(F)F)c2)CCOC1	754236156	PFXFDXQMJWHUQY-AWEZNQCLSA-N	314.288	1.476	50	20	DDGD	
CSCc1noc(CCC(=O)NN[C@@H](C)C(F)(F)F)n1	862314916	MQACZPCAWRSBMD-LURJTMIESA-N	312.317	1.437	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1csc(-c2ncccc2F)n1	768945633	YHPCVPOZUJFHNT-UHFFFAOYSA-N	323.353	1.697	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NNC(=S)Nc1cc(C)ccc1F	865273030	UNWZZXSAYJGBOK-BXKDBHETSA-N	311.382	1.877	50	20	DDGD	
COC(=O)NNC(=O)Nc1nnc(/C=C/c2ccco2)s1	764002390	UWVXXEGGCMKKRY-SNAWJCMRSA-N	309.307	1.694	50	20	DDGD	
CC(=O)N[C@](C)(C(=O)NNc1nccnc1C(C)C)C(C)C	935678045	ABPXESWPYSBOMG-HNNXBMFYSA-N	307.398	1.594	50	20	DDGD	
O=C(CN1CC[C@H](C(F)(F)F)C1)NNC(=O)c1ccccc1	761039095	CQXDBKIQAIHOAV-NSHDSACASA-N	315.295	1.332	50	20	DDGD	
CC[S@](=O)c1ccccc1C(=O)NNc1nccnc1OC	764464642	POEASNHZDMYCIC-QFIPXVFZSA-N	320.374	1.370	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(Cl)cc2O)nc1	760786967	VUNYCUFFOAONRW-UHFFFAOYSA-N	321.720	1.984	50	20	DDGD	
CC1CCN(C(=O)C(=O)NNc2cccc([N+](=O)[O-])c2)CC1	768087638	DTZPOSNCPGFWEO-UHFFFAOYSA-N	306.322	1.296	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1ccsc1C(F)(F)F	863072164	GABUYVHKJNKOBR-UHFFFAOYSA-N	319.308	1.839	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(C(F)(F)F)cc1	863144871	GLIPZMZQFVJXDH-NSHDSACASA-N	313.279	1.824	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1)c1ccnn1C	766002248	LSTVDCWWHQHEOH-JHJVBQTASA-N	321.425	1.006	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cc(-c2ccco2)nn1C	1116813820	CUYSYCVHTUKKDW-VIFPVBQESA-N	305.338	1.879	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCCCCC1)c1ccnn1C	766001687	GWVXVVUWXWTITG-ZDUSSCGKSA-N	305.426	1.772	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNc1ccc(C(C)(C)C)nn1	1119972019	QAQXCBHFIBGOKI-NXEZZACHSA-N	306.366	1.416	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)Nc3cccc(C#N)c3)nc21	769934644	SOOXVJPQQKLGMA-UHFFFAOYSA-N	324.304	1.089	50	20	DDGD	
CC(=NNC(=O)C[n+]1ccccc1)c1csc(C(=O)O)c1	1117702424	XACJCAVUCYWCDN-UHFFFAOYSA-O	304.351	1.274	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)Nc1cscc1Cl	873805145	WBAQOBVNRSVJIX-UHFFFAOYSA-N	301.755	1.288	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccn(-c2cccc(F)c2)n1	770549845	TXFGIIKTMQWHDX-UHFFFAOYSA-N	305.313	1.318	50	20	DDGD	
CCNC(=O)NNC(=O)c1csc(Cc2cccc(F)c2)n1	779890079	YAZWHMWZLTYVGN-UHFFFAOYSA-N	322.365	1.837	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CC1CCN(CC(F)F)CC1	873741174	SIUJNWRJJMYLTQ-UHFFFAOYSA-N	321.368	1.910	50	20	DDGD	
CC1=CCC[C@H](C)[C@@H]1C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	773200178	HIQLOAVEJLJECS-YNEHKIRRSA-N	313.423	1.451	50	20	DDGD	
O=C(COC1CCOCC1)NNc1ccc2ccccc2n1	777464581	TZJOPXWQZYTEDC-UHFFFAOYSA-N	301.346	1.874	50	20	DDGD	
CCN(CC)[C@@H](CNC(=O)NN(C)C(=O)OC)c1ccco1	875172291	YHNCWQQJLYKRRL-NSHDSACASA-N	312.370	1.575	50	20	DDGD	
CCOC(=O)[C@](C)(O)CNC(=O)[C@H](Br)C(C)(C)C	774020706	CAPFOMBVDGUHJD-QPUJVOFHSA-N	324.215	1.226	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@@H](OC)C(C)C	771095904	KLTPFOSFHHDEAF-LBPRGKRZSA-N	314.769	1.781	50	20	DDGD	
COC(=O)CNC(=O)NNC(=S)Nc1cccc(Cl)c1	779721654	SYUMRCLUOHZLBP-UHFFFAOYSA-N	316.770	1.014	50	20	DDGD	
COC[C@H](C)n1ccc(NC(=O)NNc2ccc(F)cn2)n1	879303200	LEWIGMFVKWWQIC-VIFPVBQESA-N	308.317	1.773	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2ncccc2OC)n1	879172590	KOCMKJQCCNTMSP-UHFFFAOYSA-N	316.365	1.483	50	20	DDGD	
O=C(NN=Cc1cc(F)cc(C(F)(F)F)c1)C(=O)NC1CC1	772839602	AINGFEBFSQDDAV-UHFFFAOYSA-N	317.242	1.573	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)OC[C@@H](C)CBr)C1	770393050	UYBCJMAAJDPQOO-CABZTGNLSA-N	306.200	1.819	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccc(-n2cncn2)nc1	772829657	CHGUBYMNAPZXDD-UHFFFAOYSA-N	324.348	1.333	50	20	DDGD	
COc1cccc(NNC(=O)NNC(=O)c2ccccc2)n1	779974913	SGQQBUAOIFLAQE-UHFFFAOYSA-N	301.306	1.061	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NNc1c(F)cc(F)cc1F	885151494	FPRPCAJDDDXZRA-VIFPVBQESA-N	317.311	1.515	50	20	DDGD	
CC(C)[C@](C)(O)C(=O)NNC(=O)c1cccc(OC(F)F)c1	771316156	MOMFUWHCCKFJCM-AWEZNQCLSA-N	316.304	1.456	50	20	DDGD	
Cc1nn(C)c(NC(=O)NNC(=O)CC(C)(C)C)c1Cl	888644784	SWBQVFGQYHTXOP-UHFFFAOYSA-N	301.778	1.971	50	20	DDGD	
COc1cccc([C@@H](C)CC(=O)NNC(=O)c2cccnn2)c1	882058383	OQXMQSAJRHVOSW-NSHDSACASA-N	314.345	1.440	50	20	DDGD	
C[C@H](C(=O)NNc1c(F)cc(F)cc1F)[C@@H](C)S(C)(=O)=O	885151474	FETOZWXORJUMNO-NKWVEPMBSA-N	324.324	1.616	50	20	DDGD	
Cc1nn(C)c(NC(=O)NNC(=O)[C@@H]2CCCCO2)c1Cl	888635810	WZTHSSKIKGSZJB-QMMMGPOBSA-N	315.761	1.104	50	20	DDGD	
Cc1ccc(CNC(=O)NNc2cc(Cl)ccn2)c(=O)n1C	787875199	ZTRVFJHTJNJKIV-UHFFFAOYSA-N	321.768	1.568	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccn(C(F)F)n2)c1	780800780	DWWFIISOSWGPKL-UHFFFAOYSA-N	310.260	1.822	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C1CCOc2c(F)ccc(F)c21	783847181	WFIVZPWYXHFXIG-UHFFFAOYSA-N	306.272	1.913	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C[C@@H](C)NC(=O)C1CCCCC1	780709311	PHVMWHWTPZNZOX-LLVKDONJSA-N	312.414	1.154	50	20	DDGD	
C[C@H]1[C@H](C)CCC[C@H]1CNC(=O)NNC(=O)C1CCOCC1	883620498	JCSNVLWVWQTJDW-DYEKYZERSA-N	311.426	1.816	50	20	DDGD	
O=C(N=c1cc[nH]cc1Br)NNc1cnccn1	780624592	XVTNOXWOFDDDQM-UHFFFAOYSA-N	309.127	1.205	50	20	DDGD	
COc1ccc(NNC(=O)c2c(C)nc3ccnn3c2C)nc1	781527149	OCSFHGSCVHZNSX-UHFFFAOYSA-N	312.333	1.507	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccccc2F)c(O)c1O	780935046	PFDYFEAQMRBVRE-UHFFFAOYSA-N	318.304	1.549	50	20	DDGD	
N[C@H]1C[C@@H](CNC(=O)NNc2cccc(Br)n2)C1	892549603	YDGISASIUWLWNY-OCAPTIKFSA-N	314.187	1.208	50	20	DDGD	
CC(C)[C@H](CNS(=O)(=O)CBr)c1ccnn1C	788076600	DOLFLXJOZTWJSJ-VIFPVBQESA-N	324.244	1.432	50	20	DDGD	
C#CCSCC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	895483986	VEZBBNYTLNXHEK-CYBMUJFWSA-N	320.414	1.585	50	20	DDGD	
C=C(CBr)COC(=O)c1cnc(OCC)cn1	795593404	ADYHXYNAFKOGGZ-UHFFFAOYSA-N	301.140	1.983	50	20	DDGD	
COc1cncc(C(=O)NNC(=O)c2cccc(Cl)c2)n1	790115818	YQJFHMKJLBPETP-UHFFFAOYSA-N	306.709	1.213	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Cc1cccc(C(F)F)c1	790666442	QDCNSXKKKPSHER-UHFFFAOYSA-N	308.288	1.659	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2ccc(OCC3CC3)cc2)CC1	790175956	KMHARQJSWSNCTD-UHFFFAOYSA-N	316.405	1.766	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc3nsnc3c2)n1	794086247	GIHYWTYZDKZVJB-UHFFFAOYSA-N	313.342	1.470	50	20	DDGD	
CC(C)n1nccc1C=NNC(=O)CNC(=O)c1cccs1	794503155	ZBPWTIMSNHDYRO-UHFFFAOYSA-N	319.390	1.406	50	20	DDGD	
COc1ccc(C)cc1CC(=O)NNc1nc2ccccn2n1	791239146	DRDQKVOSAUWFBC-UHFFFAOYSA-N	311.345	1.732	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H](C)c2c(C)noc2C)cc1	1318100433	BSHGOVQBUIDINR-SECBINFHSA-N	317.345	1.865	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H](C)n1ccnc1	1318035304	SMGTXFFCSZTGKK-GFCCVEGCSA-N	316.361	1.233	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccn(C(F)F)n2)cc1	1319817359	ABEAPNLYJFQQLI-UHFFFAOYSA-N	310.260	1.362	50	20	DDGD	
CC(C)(C)NCC(=O)NNC(=O)c1cccc(OC(F)F)c1	1318245211	NVLBRXRLBXPVLE-UHFFFAOYSA-N	315.320	1.437	50	20	DDGD	
O=S(=O)(c1ccccc1N1CC[C@H](B(O)O)C1)C(F)(F)F	1329292324	IIXAKCWXNJCGAP-QMMMGPOBSA-N	323.101	1.033	50	20	DDGD	
O=C(NNc1ncccn1)C(=O)Nc1ccc(-c2ncco2)cc1	1320398285	MKHQYCFCCRGMSB-UHFFFAOYSA-N	324.300	1.213	50	20	DDGD	
Cn1ccc(NNC(=O)c2ccn(-c3cccc(F)c3)n2)n1	1321388979	RZOVXLDYHHGCKR-UHFFFAOYSA-N	300.297	1.502	50	20	DDGD	
C=C(CC)CNC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1328947871	FJMANZANKXYKKH-CABZTGNLSA-N	303.200	1.359	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)Nc1cccnc1F	1326064193	UJASTUMWJZRTLW-UHFFFAOYSA-N	318.312	1.289	50	20	DDGD	
NC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)c2ccccc2Cl)C1	1320632240	VCGZBOFEYOXGKX-UWVGGRQHSA-N	323.780	1.393	50	20	DDGD	
Cc1cc(NNC(=O)c2ccn(-c3ccncc3)n2)nc(C)n1	1339190364	CFNWNGXQLUIPRC-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H](C)n1ccc(C(F)(F)F)n1	1331846635	RHFFGVDERHKVMA-ZETCQYMHSA-N	323.344	1.367	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@H]2CCC[C@H]2OC)cn1	1339129831	GQUDZIBRVHQIMC-WDEREUQCSA-N	324.406	1.223	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCOCC2)s1)C1CCOCC1	1330918931	PXFBWHJSULFNLN-UHFFFAOYSA-N	323.418	1.461	50	20	DDGD	
COc1cc(F)cc(NC(=O)NNC(=O)Cc2ccncc2)c1	1254737791	YGPYBMULZPVTMQ-UHFFFAOYSA-N	318.308	1.625	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc(NCC2CC2)nc1	1344653873	CTCQGVGEPMAAHB-UHFFFAOYSA-N	307.423	1.421	50	20	DDGD	
COc1cc(F)c(C(=O)NNC(=O)NC2CCCC2)c(F)c1	1345812399	RNNFIGFRKLNJNA-UHFFFAOYSA-N	313.304	1.860	50	20	DDGD	
CC(C)CN(C)C(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1347966489	HFRLLVLKZVNFBH-SKDRFNHKSA-N	305.216	1.391	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCCC(F)F)c1	1351969876	ASIRAGSZCYJPPC-UHFFFAOYSA-N	301.293	1.359	50	20	DDGD	
COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)c1cccc(CCl)c1	1353643744	CBSFXTWCYNLITF-OLZOCXBDSA-N	311.765	1.564	50	20	DDGD	
CC[C@@H](NNC(=O)c1ccc(Br)cc1)C(=O)O	1605098499	GDPXQLFNNBJRHD-SECBINFHSA-N	301.140	1.547	50	20	DDGD	
O=C(CCc1ccccn1)NNc1ccc(C(=O)O)c(F)c1	1601290466	JRZPEIGWRCPCLH-UHFFFAOYSA-N	303.293	1.995	50	20	DDGD	
O=C(/C=C\c1ccc(C(=O)O)o1)NNC(=O)NC1CCCC1	1601236260	NOVKUGRJMXINPJ-VURMDHGXSA-N	307.306	1.264	50	20	DDGD	
CC(=NNC(=O)c1ccccc1O)c1ccc(-c2nn[nH]n2)cc1	1609060813	FRAFRNNMMJQPBT-UHFFFAOYSA-N	322.328	1.726	50	20	DDGD	
Cc1cc(CNC(=O)NNc2cccc(C(=O)O)c2)ncn1	1607643177	LXFWQULULBAYCZ-UHFFFAOYSA-N	301.306	1.310	50	20	DDGD	
O=C(O)c1cc(C(=O)NNc2ccccn2)cc([N+](=O)[O-])c1	1602247284	RZFFJBBMUTZECU-UHFFFAOYSA-N	302.246	1.445	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2nc3cccnc3s2)nc1	1602384553	QDLFXBGYOBDACC-UHFFFAOYSA-N	315.314	1.541	50	20	DDGD	
COc1ccnc(NNC(=O)C23CCC(C(=O)O)(CC2)CC3)n1	1607350507	FXIRWJWGQJFRSQ-UHFFFAOYSA-N	320.349	1.354	50	20	DDGD	
CC[C@@H](C(=O)O)N(C)C(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	1603489176	UUDKRZRGUSMUQY-ZDWRTJATSA-N	314.345	1.434	50	20	DDGD	
CCOCC(C)=NNC(=O)[C@H]1CCCO[C@@H]1c1ccnn1C	1549319145	IPKHKMXOQWJSCP-JSGCOSHPSA-N	308.382	1.416	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](C(=O)O)c1cc(C)cc(C)c1	1610033691	CYFKUERYKVTUPT-RNQWEJQRSA-N	302.330	1.989	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@H]1C[C@]12CCOC2	1610288214	YPAIIVAPGVEKNO-BMIGLBTASA-N	306.318	1.263	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)C)C2	1800070115	YYHFVSXVCMNUDA-YVECIDJPSA-N	315.845	1.204	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C=NNC(=O)c1cccnc1	1552448799	WCWXJSUDFXXICS-IUODEOHRSA-N	313.361	1.699	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H](C(C)C)[C@@H](C)N)cc1C	1579727545	PCPGKQFQXYXZMP-CZUORRHYSA-N	321.421	1.449	50	20	DDGD	
O=C(NNc1cc(F)cc(Cl)c1)C1(C2(O)CNC2)CCC1	1580737076	JJQJXWMDHXRPSE-UHFFFAOYSA-N	313.760	1.427	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C/c1cccc(F)c1-c1nn[nH]n1	1589633212	QSNYEDDDYBQDCF-IZZDOVSWSA-N	314.324	1.685	50	20	DDGD	
N#Cc1cccc(NNC(=O)[C@H]2CO[C@H](CCC(=O)O)C2)c1	1594628453	UUJUGIBEYOVAJJ-DGCLKSJQSA-N	303.318	1.271	50	20	DDGD	
C[C@@H](CC(=O)O)CC(=O)NNC(=O)NCCc1cccs1	1592391869	SDNAVHQZBRCTOE-SECBINFHSA-N	313.379	1.122	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1ccc(C(=O)O)n1C	1596917301	VEYOKWIDSNQRDU-PKNBQFBNSA-N	305.334	1.173	50	20	DDGD	
CO[C@@H](CC(=O)NNc1cccc(C(=O)O)c1)C(F)(F)F	1599043683	OQJKEHWTVPIZIO-VIFPVBQESA-N	306.240	1.795	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCN1CCN(CC(=O)O)CC1	1590451437	KRPQXMRCTSLSBS-UHFFFAOYSA-N	302.491	1.710	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1c[nH]c2ccc(C(=O)O)cc12	1776117992	OMXPYXJBKAIULZ-IZZDOVSWSA-N	313.313	1.536	50	20	DDGD	
C[C@@H](Oc1ccc(C=NNC(=O)c2nccs2)cc1)C(=O)O	1776109624	RWXHLHCLKLTYKI-SECBINFHSA-N	319.342	1.759	50	20	DDGD	
COc1ccc(C)c(C=NNC(=O)NCC2CC2)c1C(=O)O	1776039422	VWVIXBVHKOREIF-UHFFFAOYSA-N	305.334	1.745	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)c1cn(C)nn1	1776045443	KZPKZMZIPHPMGP-UHFFFAOYSA-N	302.294	1.059	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cn2cncn2)cc1)c1ccccc1	11608999	AKOCTKYZLUGATM-UHFFFAOYSA-N	321.340	1.401	50	20	DDGD	
CNS(=O)(=O)c1cc(C(=O)NNc2ccccc2F)co1	161069090	BFZJBPJBXGDXDU-UHFFFAOYSA-N	313.310	1.084	50	20	DDGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1cc[nH]c(=O)c1	158619606	DOSLBSXQGDLGDV-UHFFFAOYSA-N	307.313	1.589	50	20	DDGD	
COC(=O)NNC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C	158772606	JPSQHIAHEALIHW-UHFFFAOYSA-N	312.329	1.967	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cncc(F)c2)cc1	164289079	QJGUOFSSOXSIIO-UHFFFAOYSA-N	303.293	1.369	50	20	DDGD	
COCCOCCC(=O)NNc1nc(C(F)(F)F)cs1	152970724	RGYVQZRWQBRYNX-UHFFFAOYSA-N	313.301	1.658	50	20	DDGD	
C[C@@H]1CC[C@H](CC(=O)NNc2nccc(N3CCOCC3)n2)C1	155495625	YWCDSHXYKLLJKQ-OLZOCXBDSA-N	319.409	1.583	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)Cc1c[nH]c2ccccc12	154944939	NZKUSJJHOHXHSX-UHFFFAOYSA-N	312.373	1.844	50	20	DDGD	
CC(C)[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@@H]1CCCO1	159859333	IHSXTEJTLJCHFC-CABCVRRESA-N	304.390	1.828	50	20	DDGD	
CN(C)C[C@H]1CCCCN1S(=O)(=O)CC(C)(C)CCl	867527073	ZZSZXMLEKMNNQZ-GFCCVEGCSA-N	310.891	1.997	50	20	DDGD	
CC(C)[C@](C)(NS(=O)(=O)c1ccc(CCl)cc1)C(N)=O	380361023	NNOCRQZWSBBODD-ZDUSSCGKSA-N	318.826	1.604	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@]2(N(C)C)CCC[C@H](C)C2)nn1	106334456	JILBHMKOZATJAT-LRDDRELGSA-N	320.441	1.922	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1ccc(C)nn1)c1ccccc1	106265456	LVFLCCMDVGBIAJ-ZDUSSCGKSA-N	301.350	1.799	50	20	DDGD	
CC(=O)Nc1ccc(CNC(=O)NNc2ccc(C)nn2)cc1	106257987	IYTHMPBHBISFCL-UHFFFAOYSA-N	314.349	1.570	50	20	DDGD	
CNC(=O)NNC(=O)c1cc2ccc(Br)cc2[nH]1	56375872	PALIGTONLHJSGF-UHFFFAOYSA-N	311.139	1.504	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCc1cc(F)ccc1F	109860762	TUYUIZPCCBGROT-UHFFFAOYSA-N	308.288	1.390	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C2=CCCCO2)cc1	178524771	ZTDCCOGVTJNJTJ-UHFFFAOYSA-N	304.346	1.470	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)[C@H]1CCCOC1	104633875	XESJCTWUHUNNIY-ZDUSSCGKSA-N	301.346	1.215	50	20	DDGD	
CC(C)CCNC(=O)NNC(=O)COc1ccccc1C#N	54029788	HJIQUNKYJFMJGB-UHFFFAOYSA-N	304.350	1.314	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)COc1ccccc1CC	66894602	CJGVAZUQPLQBSW-ZDUSSCGKSA-N	320.389	1.756	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1oc2c(c1C)C(=O)CCC2	68385168	TYTMWHDWSYRVOF-UHFFFAOYSA-N	307.350	1.851	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cccn2C)c1	61527830	WCNVRYJHSWMQRZ-LBPRGKRZSA-N	301.346	1.562	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)[C@@H]2CCCN2S(C)(=O)=O)c1	171982845	CKZVINRQUIUEIF-ZDUSSCGKSA-N	311.407	1.171	50	20	DDGD	
O=C(NNc1nccnc1Cl)[C@@H]1Cc2cc(F)ccc2O1	173614085	YZPNESAHVXNBBF-JTQLQIEISA-N	308.700	1.716	50	20	DDGD	
C#CCSCCNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	172604159	SKYJXTYKQRDKDD-RIYZIHGNSA-N	312.398	1.595	50	20	DDGD	
CNC(=O)c1cccc(CNC(=O)NNC(=O)CC(C)(C)C)c1	170896675	HTCPZPRHZODOBZ-UHFFFAOYSA-N	320.393	1.313	50	20	DDGD	
COCCOCCC(=O)NNC(=O)c1ccc(Cl)cc1F	175817121	NVDQHRQGOPAFDN-UHFFFAOYSA-N	318.732	1.293	50	20	DDGD	
Cc1ccc(-n2cc(C(=O)NNC(=O)c3cccnc3)nn2)cc1	31812606	AHDOYTMIMAHBNQ-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1cccc(Cl)n1	120321645	BLNLHAXQSQTXIK-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2oc(C)cc2C)nc1C	182721985	ULMOGSFXSWNBSD-UHFFFAOYSA-N	318.333	1.928	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)COCc2ccccc2)CC[C@H]1C	128215320	IDPWNUBGKVAYLZ-ZIAGYGMSSA-N	319.405	1.922	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Cn2nc(C)cc2C)c(O)c1	188548506	HLLDEMRYUFNHDV-UHFFFAOYSA-N	316.361	1.229	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)n1	181342973	YJLKCKVMUZHGBW-XDTLVQLUSA-N	306.366	1.530	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cccc3cn[nH]c23)cc1	73831450	JPNZYNSTBQZAQR-UHFFFAOYSA-N	323.356	1.744	50	20	DDGD	
Cc1ccnc2nc(C(=O)NNc3ccccc3Cl)nn12	120808080	YDRKORXYPGGYAM-UHFFFAOYSA-N	302.725	1.843	50	20	DDGD	
COCCCOCC(=O)NNc1ccc(Br)cc1	181479614	ZHRGDPASSYZCQB-UHFFFAOYSA-N	317.183	1.945	50	20	DDGD	
CC[C@@H]1C[C@H](C(=O)NNC(=O)CNc2ccccc2)CCO1	182943026	SBPUBUVHLLWYFX-TZMCWYRMSA-N	305.378	1.451	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(F)cc2[N+](=O)[O-])n1	136295010	ZHPDHOTUFBAWIJ-UHFFFAOYSA-N	321.268	1.598	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc(-c2ccccc2)on1	78739376	VTZKXEDBBVMTLB-UHFFFAOYSA-N	310.313	1.755	50	20	DDGD	
O=C(NNc1cccnn1)C(=O)N1CCCc2ccc(F)cc21	190362950	RVKCDMWJPASIJN-UHFFFAOYSA-N	315.308	1.038	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCCC1=CCCCC1	83019622	PZLQDOKJVXNZRG-UHFFFAOYSA-N	302.378	1.845	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccc(CCC(F)(F)F)cc1	190072930	TVXSJWLYKNWJAP-UHFFFAOYSA-N	318.295	1.713	50	20	DDGD	
CN1CCO[C@@H](C(=O)NNc2c(Cl)cccc2Cl)C1	133485632	IKYNPHQIJUXYAF-SNVBAGLBSA-N	304.177	1.767	50	20	DDGD	
CC(=O)NCc1ccc(C(=O)NNC(=O)CC2CCCC2)cc1	195215445	OSFIZSHZFXCYCO-UHFFFAOYSA-N	317.389	1.664	50	20	DDGD	
C[C@@H](CN1CCOCC1)NC(=O)NNc1ccccc1Cl	46479737	CKRYETUBAPQRFI-NSHDSACASA-N	312.801	1.687	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(C)=O)c(Cl)c1Cl	131769489	ASLOSCACHHISIU-UHFFFAOYSA-N	313.162	1.331	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2ccc(F)cc2F)n1	87434528	DOJBIXFFRDPJMO-UHFFFAOYSA-N	308.288	1.758	50	20	DDGD	
CCCC(=CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)CCC	92246994	LYXGVZRKZTUMSW-GFCCVEGCSA-N	316.423	1.095	50	20	DDGD	
COc1ccc(-n2nc(C(=O)NNc3cnccn3)cc2C)cc1	92740743	AGZYCKXAOAVXOI-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NNC(=O)c1ccccc1	268106990	GYDPUTKYELQNNB-SMDDNHRTSA-N	302.378	1.113	50	20	DDGD	
COC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)c2ccccc2C)C1	266764616	OFVSJTDDHKCWGJ-OLZOCXBDSA-N	318.373	1.735	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)COc1ccc(C)cc1)N(CC)CC	266789120	PBDQDWHIZDRSDW-HNNXBMFYSA-N	321.421	1.642	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC(C)(O)C2)c1C	277698748	HOZFGKFBONCQFF-OVCLIPMQSA-N	317.389	1.252	50	20	DDGD	
CCc1nc([C@H](C)NC(=O)c2c(C)nn(CCCl)c2C)n[nH]1	270979376	CTUUVTYRVXMDTC-VIFPVBQESA-N	324.816	1.910	50	20	DDGD	
CSCCNC(=S)NNC(=O)C1=Cc2ccccc2OC1	271209295	ATWFIEWQSBBRSA-UHFFFAOYSA-N	323.443	1.321	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)Nc1cccc2[nH]ccc12	274063411	MEGZISCJEDRNFE-UHFFFAOYSA-N	300.318	1.054	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	286232101	GDFBKOVLOCEBJI-UHFFFAOYSA-N	321.211	1.957	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C1(OC)CCOCC1)c1ccccc1	283923128	JUMQOLXBWKODQB-AWEZNQCLSA-N	320.389	1.523	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NC1CCN(c2nccs2)CC1	281082979	UQPJGRUMFMSHFW-ZHACJKMWSA-N	306.391	1.672	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@@H]2C(=O)OC)cc1	285010161	HJSPMMIRYPURDQ-OLZOCXBDSA-N	304.346	1.209	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2c(C)n[nH]c2C)c(O)c1	286958781	AQSCXFXYQINSEF-UHFFFAOYSA-N	302.334	1.044	50	20	DDGD	
Cc1c(C(F)(F)F)nn(C)c1NC(=O)NNC(=O)C1CC1	287378806	BCINWRXMFXWPLE-UHFFFAOYSA-N	305.260	1.310	50	20	DDGD	
O=C(NNc1ccccc1F)[C@H]1CC12CCS(=O)(=O)CC2	288160688	MAMOSRAGTDRNAI-SNVBAGLBSA-N	312.366	1.484	50	20	DDGD	
COC(=O)c1cccc(S(=O)(=O)NCCSSC)c1	284588168	HPRMZIWJJKZHES-UHFFFAOYSA-N	321.445	1.763	50	20	DDGD	
COc1cc(NC(=O)C(=O)NCCSSC)ccc1F	285139596	IYEPWPFYNBCKCQ-UHFFFAOYSA-N	318.395	1.900	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2O)O1	282711410	PPQWWCOFQPIENN-RWYTXXIDSA-N	312.753	1.620	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1cn(Cc2ccccn2)nn1	804770219	UXAQHGXMOQLTMI-UHFFFAOYSA-N	313.296	1.012	50	20	DDGD	
O=C(NNS(=O)(=O)CCCCF)c1c[nH]c2ccccc12	294298597	UVNNVKPGUCHFSB-UHFFFAOYSA-N	313.354	1.482	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H](F)Cc1ccccc1	802034485	PXNROXRSCMKUKJ-ZDUSSCGKSA-N	302.309	1.237	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(N(C)C)c2)c(C)n1C	298162487	GXHBNEJVAXQVLI-UHFFFAOYSA-N	314.389	1.783	50	20	DDGD	
O=C(NN=C1CCC[C@@H]1CCCF)N[C@@H]1CCS(=O)(=O)C1	800810939	AGUNMNDAHXGGQC-GHMZBOCLSA-N	319.402	1.379	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)NCC(F)(F)F)ccc1F	803351687	GWFLWQURZATKEQ-UHFFFAOYSA-N	304.203	1.204	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNC(=O)CC2CC2)cc1OC	294039152	DVNJYYDUUMIDBC-UHFFFAOYSA-N	320.389	1.929	50	20	DDGD	
C=CCOc1ccccc1C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	293797742	CPVMSCJDKBCYRO-FZMZJTMJSA-N	304.346	1.580	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1c(C)cccc1Cl	298646346	QALZMSSEOMFZLQ-MRVPVSSYSA-N	311.769	1.780	50	20	DDGD	
O=C(CCn1ccccc1=O)NNc1ccc2c(=O)[nH]ccc2c1	803434536	KXNPUCRKKSLMHA-UHFFFAOYSA-N	324.340	1.223	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1cc(F)cc2nn[nH]c12	800535622	FMQFGRRJTHPCHT-UHFFFAOYSA-N	306.688	1.324	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)N[C@@H]1CCN2CCCC[C@@H]12	298699463	CVQAAGNMGBBROY-KGLIPLIRSA-N	319.365	1.848	50	20	DDGD	
C[C@@H](CCc1ccccc1)NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	297447987	VTRNXZDBGVHUPZ-YDHLFZDLSA-N	319.405	1.906	50	20	DDGD	
COc1cc(Cl)cc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	293999345	UZZBFIVGOCJOHW-UFBFGSQYSA-N	312.753	1.677	50	20	DDGD	
CCc1nnc(CNC(=O)NNC(=O)OC(C)(C)C)s1	291510689	QPTGBOPEGDLLJE-UHFFFAOYSA-N	301.372	1.339	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CCn1ccccc1=O	805378462	IUFKXMNWQAJYBG-UHFFFAOYSA-N	316.317	1.598	50	20	DDGD	
O=C(NNC(=O)c1nnc2ccccc2c1O)Nc1ccccc1	801986182	AMVNJPAFWXWUOU-UHFFFAOYSA-N	323.312	1.802	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Cc2ccc3c(c2)CCC3)O1	293920164	BAQGHWGMMGUTCJ-NHYWBVRUSA-N	302.374	1.433	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)CSC(F)F	295778814	JBNSRYRJGFKCDY-UHFFFAOYSA-N	304.318	1.306	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@H]2CCCCO2)cccc1[N+](=O)[O-]	297591901	YKIZJHJWAZMYOO-GFCCVEGCSA-N	322.321	1.625	50	20	DDGD	
CCCc1noc2nc(CC)cc(C(=O)NNC(=O)NC)c12	800328323	LIXJPYNAUDEGEN-UHFFFAOYSA-N	305.338	1.312	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(Cl)nc1)S(=O)(=O)C1CC1	298182638	SOQLSKURMFWXSR-UHFFFAOYSA-N	317.798	1.534	50	20	DDGD	
Cc1cc(C)nc(C(=O)NNc2nc3ccccc3c(=O)n2C)c1	801156483	UBXWABHMHJVHMH-UHFFFAOYSA-N	323.356	1.702	50	20	DDGD	
O=C(NCc1c(F)cccc1Cl)NNC(=O)[C@@H]1CCCO1	291975850	WPQDCHYPRUAKJN-NSHDSACASA-N	315.732	1.489	50	20	DDGD	
CC[C@](O)(C(=O)NN=c1cc[nH]cc1)c1cccc(Cl)c1	800531277	AULPPYQNWMQVPM-OAHLLOKOSA-N	305.765	1.898	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)NNc1ncccn1	814278944	DPTDZIAITDTFIO-URLYPYJESA-N	319.365	1.033	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)c1c[nH]c2ccccc12	812452820	LZGAFUMGOUXWKZ-MNOVXSKESA-N	303.362	1.848	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NN=Cc1cn(C)nc1O	814227121	CZYROCKJEZRPMC-VIFPVBQESA-N	322.752	1.697	50	20	DDGD	
COCCC(COC)=NNC(=O)C(=O)Nc1ccc(C)cc1	812225245	VVFVWVJEHGDFJB-UHFFFAOYSA-N	307.350	1.089	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H]2CC(=O)N(C)C2)c1	819037871	ZCQXGEUNRBJGCI-LLVKDONJSA-N	320.418	1.099	50	20	DDGD	
CSC(C)(C)CC=NNC(=O)CNC(=O)c1cccnc1	814873458	CJMCLSAYKMDBBR-UHFFFAOYSA-N	308.407	1.445	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)/C(F)=C\C1CCCCC1	814542594	KUBCALWXNPYQLU-LZAIMSLLSA-N	314.357	1.909	50	20	DDGD	
O=C1CCCCC[C@@H](C(=O)NNC(=O)Cc2cccnc2)C1	813439984	FBGMPXGCIHLDNO-CYBMUJFWSA-N	303.362	1.311	50	20	DDGD	
CON1CCC(NC(=O)[C@H](Br)C(C)(C)C)CC1	817698568	YAIQUSCEMGQFIS-JTQLQIEISA-N	307.232	1.938	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)CNc1ccccc1OC	812456179	RHTHHKYWKJSSNQ-NWDGAFQWSA-N	323.393	1.173	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC(F)(F)[C@@H](C)C1	810045648	SCCYOYAGZQHMRB-WDEREUQCSA-N	305.369	1.546	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CCc2ccn(C)n2)n1	826969862	CNCKBRPJSWQGIS-UHFFFAOYSA-N	317.397	1.132	50	20	DDGD	
CCN(CCO)NC(=O)c1cc2c(OC(F)F)cccc2[nH]1	823841739	JYLHMLMWDNXQEA-UHFFFAOYSA-N	313.304	1.728	50	20	DDGD	
CCn1cc(NC(=S)NNC(=O)NC2CCCCC2)cn1	726122081	PXGWFIOAGVYSHW-UHFFFAOYSA-N	310.427	1.736	50	20	DDGD	
COC(=O)NNC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1	492608129	KMGSEKUAZXRECS-UHFFFAOYSA-N	324.337	1.358	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2CCC(C(=O)N(C)C)CC2)o1	829831819	SJVOQAGXHIFRPA-UHFFFAOYSA-N	321.377	1.244	50	20	DDGD	
CC(C)[C@@H](O)C1(CNC(=O)/C(C#N)=C/c2cnn(C)c2)CC1	491088304	ZGMVNPXHXCJHDO-YGLIYXGISA-N	302.378	1.240	50	20	DDGD	
CCC(=O)C1(C(=O)NNc2nc3ccccc3c(=O)n2C)CC1	823320828	XSGFHCNVYAVSMR-UHFFFAOYSA-N	314.345	1.136	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@](C)(OC)C1CC1	822731187	HUSVYHDQMINDIV-OAHLLOKOSA-N	310.325	1.871	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H](C(=O)NNc1ccncn1)C1CCC1	496160426	SVZLFXHRZPAMSD-GFCCVEGCSA-N	321.381	1.613	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)nnn3C)n1	490783799	UTGVMLNMDACPEA-YRNVUSSQSA-N	307.317	1.247	50	20	DDGD	
COCc1ccccc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	826164748	ODONPJHZDZZECJ-UHFFFAOYSA-N	324.344	1.770	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	822205182	NXOOMWARGZYUHJ-WZRBSPASSA-N	322.336	1.332	50	20	DDGD	
CCOC(=O)NNC(=O)CCCc1ccc2c(c1)CC(=O)N2	491225810	ONNGNZGYYXXPRE-UHFFFAOYSA-N	305.334	1.281	50	20	DDGD	
CC(=NNC(=O)c1ccc[nH]1)c1ccc(-c2nn[nH]n2)c(F)c1	823948564	SHFDGIBUDXLUFR-UHFFFAOYSA-N	313.296	1.488	50	20	DDGD	
Cc1ccc(-c2nc(C)c(C(=O)N3CC[C@@H](B(O)O)C3)s2)o1	585070499	YGGCMNPCYBZXCG-SNVBAGLBSA-N	320.179	1.709	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)CSC1CC1	825805827	RLRCFPRRVUOMQP-UHFFFAOYSA-N	300.405	1.429	50	20	DDGD	
CC(=O)NNC(=O)c1ccccc1CCNC(=O)OC(C)(C)C	496103933	NBFOZRDJXGUSOJ-UHFFFAOYSA-N	321.377	1.535	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)CC(F)(F)F)c1ccc(F)cc1	823368626	MDXGAVNFOBEESI-LLVKDONJSA-N	308.231	1.133	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1c(F)cc(C)cc1F	901964831	QPRXCXCUFDVRQK-UHFFFAOYSA-N	316.329	1.386	50	20	DDGD	
CC[C@@H](C)n1ncc(NC(=O)c2ccc(B(O)O)cc2)c1C	584981529	YFAUSSYZOFLYHK-SNVBAGLBSA-N	301.155	1.095	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccccc1	825582860	GQMWCMXWJRZCMM-BZPMIXESSA-N	305.378	1.546	50	20	DDGD	
C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1ccc(B(O)O)cc1	584985792	QWSQKCGYIRSTEC-YOEHRIQHSA-N	323.201	1.775	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCc2ccsc2C1	827281629	ISGNAJSTGCQORD-GXSJLCMTSA-N	309.391	1.272	50	20	DDGD	
C[C@H]1CN(C2CC2)CC1=NNC(=O)CCNC(=O)OC(C)(C)C	495274651	ACOAVUGGUAYPTO-NSHDSACASA-N	324.425	1.488	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1cccnc1S	730033649	KVXXUMYOCKMJHM-UHFFFAOYSA-N	317.370	1.470	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1ncncc1Cl	495571865	DAWGNUVVEQDYMP-UHFFFAOYSA-N	301.734	1.099	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21	906539700	JAWHKSHQSMDOOI-APHBMKBZSA-N	300.358	1.382	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@H]1CCC[C@H]1Cc1ccccc1	829100026	HHXIMBYXOWAXJU-HOTGVXAUSA-N	317.433	1.791	50	20	DDGD	
CCn1nc(C2CC2)cc1C(=O)NNC(=O)Cc1ccncc1	906888772	HRZILPBKQVGVHE-UHFFFAOYSA-N	313.361	1.179	50	20	DDGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1cnc[nH]1	733001108	KBBOGRYIPXNDLL-UHFFFAOYSA-N	304.697	1.870	50	20	DDGD	
O=C(NC[C@@H]1CCCc2ccccc21)c1ccc(B(O)O)cc1	584927835	YIVHZPOHASNMDT-HNNXBMFYSA-N	309.174	1.216	50	20	DDGD	
O=C(NNC(=O)C1(c2cccs2)CCCCC1)c1ncon1	832825731	FTXJOIVDYBMNON-UHFFFAOYSA-N	320.374	1.794	50	20	DDGD	
C[C@]1(C(=O)NCC2CCN(CC#N)CC2)C[C@@H]1Br	906797959	MSZBFKFUSAVASH-AAEUAGOBSA-N	314.227	1.512	50	20	DDGD	
COC1(CO)CCN(C(=O)[C@@]2(C)C[C@@H]2Br)CC1	907790764	OYBYBABWTYUFEQ-ONGXEEELSA-N	306.200	1.160	50	20	DDGD	
O=C(O)CCCN1CCC(=NNC(=O)CCc2ccco2)CC1	739672484	KJSLYESQHQHZSM-UHFFFAOYSA-N	321.377	1.645	50	20	DDGD	
CCC[C@@H](NCc1cccc(B(O)O)c1)c1nnc2ccccn12	585033076	WXHLSPFFXYXTAL-OAHLLOKOSA-N	324.193	1.040	50	20	DDGD	
C[C@H]1CC[C@@H](C)C(=NNC(=O)CNC(=O)c2cccnc2)C1	834962825	WRBLSHDBWHKUKZ-NWDGAFQWSA-N	302.378	1.740	50	20	DDGD	
CC[C@@H]1CCC[C@H]1CNC(=O)NNC(=O)[C@H](C)OCCOC	838647933	ANXSGDLARAOJAI-XQQFMLRXSA-N	315.414	1.195	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCl)c1cccc(N2CCCC2=O)c1	830205922	BOQWWAFVDSVHAL-SNVBAGLBSA-N	316.810	1.990	50	20	DDGD	
CCC[C@@H](NCc1ccccc1B(O)O)[C@@H](O)c1ccccc1	585039928	ZSDTUNFLXCVBHZ-MSOLQXFVSA-N	313.206	1.358	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1	837310423	KRXGUSYTNAYFPP-YUTCNCBUSA-N	300.358	1.625	50	20	DDGD	
CCC(C)(C)N(C)CC(=O)NNC(=O)c1ccc(C#N)cc1	839518405	ZEELKTDHTURUJE-UHFFFAOYSA-N	302.378	1.440	50	20	DDGD	
CCc1noc(C)c1COC(=O)/C(C#N)=C\c1cnn(C)c1	837972476	UZVCDUQEIGTIAF-XGICHPGQSA-N	300.318	1.929	50	20	DDGD	
C[C@@H]1C[C@H]1C(=O)NNC(=O)c1cc(Br)ccc1O	730592455	OWXHIRFMYKHONR-HTRCEHHLSA-N	313.151	1.572	50	20	DDGD	
CC(C)(C)OC(=O)[C@@H](C(=O)NN=c1cc[nH]cc1)C(C)(C)C	831863736	WGXANJMCOQPWES-GFCCVEGCSA-N	307.394	1.951	50	20	DDGD	
CCCSCC(=O)NNc1ccccc1S(C)(=O)=O	732303290	COYLWUBTKNVVKG-UHFFFAOYSA-N	302.421	1.676	50	20	DDGD	
CCC1(CC)CCCN(C(=O)c2cccc(B(O)O)c2)CC1	584979667	BAEGWPPVQGMUAK-UHFFFAOYSA-N	303.211	1.799	50	20	DDGD	
COCCN(C)NC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1	837623118	HRRILRGHEDURRH-QGZVFWFLSA-N	319.405	1.291	50	20	DDGD	
CCn1cc(C=NNC(=O)COc2ccc(C#N)cc2)c(C)n1	901132433	APXQJXZMXSXCBO-UHFFFAOYSA-N	311.345	1.612	50	20	DDGD	
C[C@@H](NCc1ccccc1B(O)O)[C@H](c1ccccc1)N(C)C	585037219	WNGOKTLIIDHTCA-RDTXWAMCSA-N	312.222	1.147	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc(-c2cccs2)[nH]n1	916105656	BBAYCVMTFUTETC-UHFFFAOYSA-N	309.420	1.656	50	20	DDGD	
COc1ccc(C=NNC(=O)c2ccnc(N(C)C)c2)cc1O	731562171	ORPSQNHRNVYKJS-UHFFFAOYSA-N	314.345	1.626	50	20	DDGD	
CCCN(CC)C[C@@H](C)NC(=O)NNC(=O)[C@H]1CCCCO1	836465036	HGUOZAATKXXGFV-CHWSQXEVSA-N	314.430	1.006	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCCCN2C)c1F	837060997	SGZUPXULOISJJW-GFCCVEGCSA-N	309.341	1.540	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	731218820	IQTLIRKAHPCWCP-UHFFFAOYSA-N	316.701	1.437	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2C[C@H](C)n3ccnc32)n1	836626348	AMEZIZFURIHDOD-WDEREUQCSA-N	301.354	1.622	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@H]2CCOC(C)(C)C2)n1	838732976	AFCPKNBRPOBFJB-JTQLQIEISA-N	309.370	1.317	50	20	DDGD	
CN1CCC[C@@H](NC(=O)NNc2ccc(Cl)c(F)c2)C1=O	748665550	ZGNYYCNVURJOQI-LLVKDONJSA-N	314.748	1.726	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(Nc2nccs2)cc1F	910149229	IBPIFXSHHUSGJV-SECBINFHSA-N	324.381	1.983	50	20	DDGD	
O=C(/C=C/[C@H]1CCOC1)NNc1cc(O)nc2ncccc12	913988528	ZYIGHBHMIWBKTQ-FSIBCCDJSA-N	300.318	1.371	50	20	DDGD	
CS(=O)(=O)CC(=O)NN(c1ccccc1)c1ccccc1	919677680	CQNRJPKCVJMPEE-UHFFFAOYSA-N	304.371	1.901	50	20	DDGD	
CNC(=O)NNC(=O)c1cc2cc(C(F)(F)F)ccc2n1C	742577039	KWTZTHSWKDODMH-UHFFFAOYSA-N	314.267	1.771	50	20	DDGD	
O=C(CC1CC(c2ccccc2)C1)NNC(=O)c1ncccn1	841352212	ITRIRWPRRCTBFG-UHFFFAOYSA-N	310.357	1.822	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Nc2cnn(C(C)C)c2)n1	847435171	GMTCVPARQWXDRN-UHFFFAOYSA-N	305.342	1.720	50	20	DDGD	
COC(=O)NC1CCN(C(=O)[C@]2(C)C[C@@H]2Br)CC1	912761167	AGCNIJQFJNSENT-JOYOIKCWSA-N	319.199	1.507	50	20	DDGD	
N#Cc1c[nH]c(C(=O)NNC(=O)c2ccc(Cl)cc2O)c1	748298257	SNHUCLJUFISKFM-UHFFFAOYSA-N	304.693	1.320	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)c1cccnc1)C(=O)OC(C)(C)C	843749740	BZZGEKJEJBJMDK-LBPRGKRZSA-N	321.377	1.457	50	20	DDGD	
CC(=O)NNC(=O)c1nn(-c2ccccc2F)c2c1CCCC2	841376058	PAUGAQXQSAFJLS-UHFFFAOYSA-N	316.336	1.671	50	20	DDGD	
CC[C@@H]1CN(CC(=O)NNC(=O)c2ccc(C)cc2)[C@H](C)CO1	844390074	BPLUZSFGNATAGI-UKRRQHHQSA-N	319.405	1.255	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(S(C)(=O)=O)o1	748549017	FCANFSZSLPQURI-UHFFFAOYSA-N	312.322	1.888	50	20	DDGD	
Cc1ccc(C)c(C2=NO[C@@H](C(=O)NN(C)[C@H](C)CO)C2)c1	911445145	NFQLLVPAVOAKDW-IUODEOHRSA-N	305.378	1.140	50	20	DDGD	
C[C@H](C(=O)N(C)NC(=O)OCc1ccccc1)c1cnccn1	912835623	JVSUBDUVBGVHCD-LBPRGKRZSA-N	314.345	1.880	50	20	DDGD	
Cc1c(C(=O)NNc2ccc(Br)cc2)nnn1C	743299866	VNKHLAULCLVQAR-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
CN1CCC(=NNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1=O	844628824	RJUJWXDVFOIZDT-HIFRSBDPSA-N	315.373	1.489	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1c[nH]nc1-c1ccccc1	843978099	VNTSXRXTCRUHAV-ZYHUDNBSSA-N	314.345	1.263	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)s1	745475668	HTXMUBQNUKLSIV-MRVPVSSYSA-N	323.349	1.819	50	20	DDGD	
C[C@H](C(=O)NNc1nccn(C)c1=O)c1cccc(Cl)c1	747942044	SJNGOYBDCKXXIL-VIFPVBQESA-N	306.753	1.681	50	20	DDGD	
CCOc1ccccc1C(F)(F)C(=O)NN(C)C[C@@H](C)O	910160703	MYBROYBGRKSUDB-SNVBAGLBSA-N	302.321	1.521	50	20	DDGD	
Cc1nc(N2CCOCC2)sc1C(=O)NN=Cc1ccc[nH]1	916337316	DRRGGBVDHNAQFU-UHFFFAOYSA-N	319.390	1.380	50	20	DDGD	
COC/C(C)=C/C(=O)NNC(=O)c1cccc(OC(F)F)c1	844377949	ZVNQKODZYYFKPU-RMKNXTFCSA-N	314.288	1.642	50	20	DDGD	
CC(=NNC(=O)COc1ccc(F)cc1)c1cn(C)nc1C	917537775	RMZVOBNRKKVLSS-UHFFFAOYSA-N	304.325	1.787	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1cccc([N+](=O)[O-])c1C	748665826	IXADYLKTQOESCY-AWEZNQCLSA-N	302.334	1.444	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1ccccc1C(=O)N(C)C	842549422	LVTKSTOWUGCUEH-DGCLKSJQSA-N	303.362	1.264	50	20	DDGD	
CCCCNC(=O)NNC(=O)C[C@H](C)NC(=O)OC(C)(C)C	742585766	OHSNXQNMXRUVTQ-JTQLQIEISA-N	316.402	1.420	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cc3c(s2)CCC3)CCN1	841989749	WTPPXOBJALUSAW-MWLCHTKSSA-N	322.434	1.321	50	20	DDGD	
Cc1c(NNC(=O)[C@H](C)c2cnn(C)c2)cccc1[N+](=O)[O-]	748666712	RGXYAKOMSIGOCZ-SECBINFHSA-N	303.322	1.884	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](c1ccc(Cl)cc1)N(C)C	847687118	MLXKHOCCWZZIRW-LBPRGKRZSA-N	312.801	1.635	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	843978625	XCCDJPILFOKSPQ-FZMZJTMJSA-N	306.362	1.200	50	20	DDGD	
O=C(NCc1ccco1)NN=Cc1cccc2c1OCCO2	920829401	OFLGQJRHIQOUSD-UHFFFAOYSA-N	301.302	1.884	50	20	DDGD	
Cc1cc(C)n([C@@H](C)CC(=O)NNC(=O)c2ccc(C)o2)n1	752781709	XITPXFSYJBNSTR-NSHDSACASA-N	304.350	1.814	50	20	DDGD	
CC[C@H](CN1CCOCC1)NC(=O)[C@@]1(C)C[C@H]1Br	928649984	UQHSAWWAIPULLY-WZRBSPASSA-N	319.243	1.387	50	20	DDGD	
C[C@]1(CNS(=O)(=O)CCCCF)C[C@H]1Br	856752495	KBNXWRZVXLEOBD-RKDXNWHRSA-N	302.209	1.829	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H]2COC[C@@H]2C)c(F)c1	926015766	AVJGDYZUAWKMIW-QPUJVOFHSA-N	311.313	1.273	50	20	DDGD	
CC[C@@H]1COCC1=NNC(=O)C(=O)NCc1ccc(Cl)cc1	853327584	TUHPLGLCJAKMIA-LLVKDONJSA-N	323.780	1.485	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cc(Br)cnc1O	857272923	JRROHKRUZJVJOT-UHFFFAOYSA-N	314.139	1.111	50	20	DDGD	
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)NNC(=O)CO	756547268	XOPXGASYIWITFZ-UHFFFAOYSA-N	322.365	1.125	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NN=C[C@H]1CCCOC1	853372917	DGCHNVSSPPETFO-MGPQQGTHSA-N	320.393	1.416	50	20	DDGD	
NC(=O)c1csc(C=NNC(=O)COCc2ccccc2)c1	755892758	ZMFWOVGEFDDYPP-UHFFFAOYSA-N	317.370	1.514	50	20	DDGD	
CCN1CCC[C@@H](NC(=O)NNc2c(C)cccc2F)C1=O	925977102	QTEJXBMARBJRGX-GFCCVEGCSA-N	308.357	1.771	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C(=O)NNc2cccnn2)c1C	753100325	PHVYBJKMQIQLHS-UHFFFAOYSA-N	303.322	1.355	50	20	DDGD	
CO[C@@H](C(=O)NNC(=S)NCC1CCC1)c1ccccc1	855089154	DVSKKWPFQAEKMQ-CYBMUJFWSA-N	307.419	1.670	50	20	DDGD	
CC[C@H]1COCC1=NNC(=O)CSc1nc(C)cc(C)n1	853262532	ZLWHNXOJGOJQCO-NSHDSACASA-N	308.407	1.714	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)[C@H]1CCc2n[nH]cc2C1	757880223	FKQCSHIGYYQYNM-NSHDSACASA-N	307.357	1.628	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C(=O)OC(C)(C)C)C(C)C	854213806	LFWUOJDOMQBXPZ-UHFFFAOYSA-N	301.387	1.435	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2Cc3cnn(C)c3C2)cc(C#N)n1C	857880785	NRMSNERRKJFSMP-PQMHYQBVSA-N	320.356	1.388	50	20	DDGD	
CN(C)c1noc(CNC(=O)NNc2cc(F)ccc2F)n1	922385960	KYGLARLGDQQMRS-UHFFFAOYSA-N	312.280	1.240	50	20	DDGD	
C[C@H]1CCCN(C(=O)C(=O)NNc2ccc([N+](=O)[O-])cc2F)C1	855622429	FROSJSAFLCNCOZ-VIFPVBQESA-N	324.312	1.436	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@@H]1CCCCN(C)C1	858096843	QIEVXHJTERVZJK-AWEZNQCLSA-N	318.421	1.671	50	20	DDGD	
CC[C@H](CC(F)(F)F)NC(=O)NNC(=O)c1cccc(F)n1	852253906	FSQSBLHGOFWPKB-SSDOTTSWSA-N	322.262	1.896	50	20	DDGD	
CNc1ccc(C(F)(F)F)cc1C(=O)NNC(=O)CN(C)C	857105680	PORGWXUUWDAVSV-UHFFFAOYSA-N	318.299	1.070	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1c(C)c2ccccc2oc1=O	750610286	RFBSJBIHDPKAFO-UHFFFAOYSA-N	317.345	1.846	50	20	DDGD	
CC[C@H](C)CC[C@H](O)CC(=O)NNC(=O)c1cccc(F)n1	856427362	UUEVQKSRVONLBE-QWRGUYRKSA-N	311.357	1.559	50	20	DDGD	
Cn1c(NNC(=O)C23CCC(CC2)C3)nc2ccccc2c1=O	752372417	NFPZLEMCZUXBBF-UHFFFAOYSA-N	312.373	1.957	50	20	DDGD	
C#CCN(C)CCCNC(=O)NNc1c(F)cc(F)cc1F	922632140	ZBXZSANMRWFCAS-UHFFFAOYSA-N	314.311	1.685	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=Cc1cc(F)ccc1O	755753848	RUMLDTBDJRZQNQ-UHFFFAOYSA-N	312.304	1.872	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NC[C@H]1CN(C)CCN1C	853719571	PSFJQCHHTNJVJT-ZDUSSCGKSA-N	309.389	1.006	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C1(SC)CCC1	854284728	WEEDDTVWYISQEP-UHFFFAOYSA-N	305.469	1.146	50	20	DDGD	
O=C(NN=C1CC2(CCC2)Oc2ccccc21)C(=O)NC1CC1	753164280	ZBRJHHGQUPDKPJ-UHFFFAOYSA-N	313.357	1.491	50	20	DDGD	
C[C@H](CNC(=O)NNc1ccc(Cl)c(F)c1)S(C)(=O)=O	754676922	VZGLZESLFMCPIU-SSDOTTSWSA-N	323.777	1.538	50	20	DDGD	
O=S(=O)(CCl)NC[C@@H](O)c1cc(F)c(F)c(F)c1	851881682	NYDPDAOZEPNKOY-MRVPVSSYSA-N	303.689	1.253	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccc(OCC2CCCCC2)cc1	756281177	VBRBTLBXLVDRJV-UHFFFAOYSA-N	321.377	1.791	50	20	DDGD	
CCc1ccc(Br)cc1C(=O)NN(C)C(N)=O	935176994	ILNWTLHJQGANGZ-UHFFFAOYSA-N	300.156	1.667	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@@H]1Cc2cc(F)ccc2O1	855091510	SUMGVVOHHADOQZ-ZDUSSCGKSA-N	323.393	1.425	50	20	DDGD	
CCn1ncc(Cl)c1C(=O)NNC(=O)OCC(F)(F)F	857725435	WLYKACDYXDGEAB-UHFFFAOYSA-N	314.651	1.490	50	20	DDGD	
O=C(NNc1cc(F)cc(Cl)c1)[C@@H]1CCCS(=O)(=O)C1	855619757	CYIHOAWSPHLRRL-MRVPVSSYSA-N	320.773	1.747	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@@H](C)Cc1cccnc1	934233840	LEMMLDRGWSMRHB-QWHCGFSZSA-N	306.410	1.184	50	20	DDGD	
O=C(NNc1ncncc1F)c1cccc(N2CCCC2)c1	854609683	UIVXPGHWWBYKAZ-UHFFFAOYSA-N	301.325	1.973	50	20	DDGD	
Cc1ccc([C@H](C)C=NNC(=O)[C@H](C)NS(C)(=O)=O)cc1	863090401	KSNSNWFJWGPBLA-NEPJUHHUSA-N	311.407	1.138	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1cnn(CC(F)(F)F)c1	763109028	QWSAUBPODBSAJE-UXBLZVDNSA-N	302.256	1.506	50	20	DDGD	
CC(=O)Nc1ncc(S(=O)(=O)NCC(Cl)Cl)s1	867469746	HASRUKYXNMVIBM-UHFFFAOYSA-N	318.207	1.184	50	20	DDGD	
CCO[C@@H](CC(=O)NNC(=O)c1ccc(C)cc1O)C(C)C	760827687	VLCIQVMIBMWQSG-AWEZNQCLSA-N	308.378	1.913	50	20	DDGD	
CC(C)NC(=O)CCCC(=O)NNCC(F)(F)C(F)(F)F	863094588	WYQPSKQJBFRTMP-UHFFFAOYSA-N	319.274	1.500	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1C[C@@]12CCOC2	763372678	DFHAHIWVVHXHBJ-BRAWCNRMSA-N	318.417	1.777	50	20	DDGD	
C[C@H](Sc1nnnn1C1CC1)C(=O)NN[C@H](C)C(F)(F)F	862308743	HEEBLUXWNQPOBU-NTSWFWBYSA-N	324.332	1.060	50	20	DDGD	
CCOc1ccc2c(c1)C(=NNC(=O)c1cn[nH]c1)CCO2	863154217	RTKIUZVFECUTLB-UHFFFAOYSA-N	300.318	1.725	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNC(=O)Nc2ccccc2)n1	868116906	WIDVJTSLURACEH-LLVKDONJSA-N	301.350	1.681	50	20	DDGD	
COc1ccc(COCC(=O)NN[C@H](C)C(F)(F)F)cc1	862308862	GBKIKYHRVCJMOI-SECBINFHSA-N	306.284	1.783	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1ccccc1[N+](=O)[O-]	768583528	CDYDVTYDXBRTAC-UHFFFAOYSA-N	317.330	1.621	50	20	DDGD	
CCc1ccc(-c2cc(C(=O)NN=Cc3cnnn3C)n[nH]2)cc1	764786635	GKANNXJWHJDEFP-UHFFFAOYSA-N	323.360	1.532	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)c1ccncc1F	768785936	QQEHTINTQADYMF-UHFFFAOYSA-N	324.406	1.634	50	20	DDGD	
CCc1ccccc1OCCC(=O)NNC(=S)NC(C)C	1117127382	IHSZTFDXRBMGLA-UHFFFAOYSA-N	309.435	1.922	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCC2(CCSCC2)CC1	879201155	YWDIFHSXNPMJES-GFCCVEGCSA-N	313.467	1.542	50	20	DDGD	
COC[C@@H](NC(=O)NN=c1cc[nH]c(C)c1)c1ccccc1	875214065	CSNVTZAIGLMUHB-OAHLLOKOSA-N	300.362	1.826	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2cccc(N(C)C)c2)n(C)n1	873823872	KRIUFUDEAONJSO-UHFFFAOYSA-N	315.377	1.123	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cc(O)c(O)c(OC)c2)cc1	1115814332	PSOZCYVWIZXXIZ-UHFFFAOYSA-N	316.313	1.879	50	20	DDGD	
CNC(=O)NNC(=O)c1cccn1[C@@H](C)Cc1ccccc1	773280742	GKBWHMPJNOXLNX-LBPRGKRZSA-N	300.362	1.866	50	20	DDGD	
C#C[C@H](NC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C)[C@@H]1CCCO1	775339767	ISSYWDWFYOGZBO-PBTYMSFLSA-N	322.368	1.409	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](N)c1cccc(C(F)(F)F)c1	876884991	MXQNXUITOXUJJE-SNVBAGLBSA-N	318.299	1.398	50	20	DDGD	
Cc1c[nH]cc(C(=O)NNc2ccnc(Br)c2)c1=O	771555740	FBGIOIODXMNUBP-UHFFFAOYSA-N	323.150	1.598	50	20	DDGD	
Cc1ccc(CC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)cc1	771907687	AAANBBXXZMYMLL-ZDUSSCGKSA-N	320.389	1.663	50	20	DDGD	
Cc1cc(F)ncc1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1118979409	SZKSRVQYACPIJC-UHFFFAOYSA-N	317.324	1.206	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C(=O)CC)cc1	772183791	RIUSUFYKAUVTDM-JTQLQIEISA-N	320.345	1.382	50	20	DDGD	
CCN1CCOC[C@H]1C(=O)NNC(=S)Nc1cccc(C)c1	873775391	DSYPBPKZRJZWIZ-ZDUSSCGKSA-N	322.434	1.033	50	20	DDGD	
COCCOCC(=O)NN=Cc1nc2ccc(OC)cc2s1	872401002	BSRNYIYKDPVOGZ-UHFFFAOYSA-N	323.374	1.418	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1sccc1-n1ccnn1	878717000	RZOVBQZYKYGGNI-UHFFFAOYSA-N	307.379	1.526	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCC2(OC)CCC2)cc1	1117863561	UHPNKQWXUSPQJA-UHFFFAOYSA-N	321.377	1.598	50	20	DDGD	
COc1cccc(C(=O)NNc2cc(Cl)nc(N)n2)c1OC	779374523	MWNDEZHYBICUOM-UHFFFAOYSA-N	323.740	1.486	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)c1cc(OC)cc(OC)c1	770598013	USPDDCHQOMUDTL-UHFFFAOYSA-N	316.361	1.764	50	20	DDGD	
C[C@@H](CBr)COC(=O)C1CCS(=O)(=O)CC1	770370487	QMAPSHLEIMJPPJ-QMMMGPOBSA-N	313.213	1.385	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)CCCN1C(=O)CNC1=O	885124575	ZRGAMNFYZATZLE-UHFFFAOYSA-N	324.768	1.424	50	20	DDGD	
COCC1(C(=O)NNC(=O)CSc2ccccc2O)CC1	778943828	CWNOOQJSXURBPW-UHFFFAOYSA-N	310.375	1.058	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cccnn1)[C@H]1C[C@H]2CC[C@H]1C2	883038739	RHJVBOTZBMIZFS-FIQHERPVSA-N	303.366	1.245	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCC(=NNC(=O)c2ccc(O)cc2)C1	788407911	IAUKOSCFTSMIGV-CYBMUJFWSA-N	310.375	1.465	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2	785409502	DPNBFJJINOGQTF-DOLQZWNJSA-N	321.299	1.083	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2ccc(OC)cn2)ccn1	781515781	FRAJHIYWGRBGRM-UHFFFAOYSA-N	302.290	1.029	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(F)c1Cl)c1nnnn1C	1123742570	RJUILDDHPKLRGJ-LURJTMIESA-N	313.724	1.390	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1c(C)ccc2ncccc12	782477016	CWLYRYMMGGGEHD-UHFFFAOYSA-N	322.390	1.398	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCC(=NNC(=O)Cc2cccnc2)C1	788427156	HBWWDYRDMBRHSS-CYBMUJFWSA-N	309.391	1.084	50	20	DDGD	
O=S(=O)(CBr)NCc1cccc2cc[nH]c12	786133937	FQVMALGNTSSNMM-UHFFFAOYSA-N	303.181	1.940	50	20	DDGD	
CCN(CC)CCC(=O)NNC(=S)Nc1cccc(F)c1	899445988	OJMQMJAHCNKIMP-UHFFFAOYSA-N	312.414	1.875	50	20	DDGD	
Cc1cc(C=NNC(=O)COc2ccc(C#N)cc2)sn1	785449847	OPRRLOUVAWRNKI-UHFFFAOYSA-N	300.343	1.852	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2c(F)cccc2F)ncn1	783948385	ZCIMIXYKMSOEFO-UHFFFAOYSA-N	307.260	1.145	50	20	DDGD	
Cc1ccnc(NNC(=O)c2cc([C@@H]3CCCN3C)[nH]n2)c1	896936632	WTSKJAKTVQOVFJ-ZDUSSCGKSA-N	300.366	1.637	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NC[C@H]2CCCCS2)c1	784285530	IZOOYEXQOIHBJJ-CYBMUJFWSA-N	318.402	1.788	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)COc1cccc(C)c1	790063671	QEMBZFMSWSBGAW-UHFFFAOYSA-N	324.377	1.310	50	20	DDGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(\C#N)S(=O)(=O)NC1CC1	794946551	WESQOVCNRJAUHF-AWNIVKPZSA-N	320.370	1.948	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2CCN(C)c3ccccc32)n1	794086599	JDTNPVLGWPLALV-AWEZNQCLSA-N	324.384	1.775	50	20	DDGD	
CC(=O)Nc1ccc(C)c(C(=O)NNc2nc3ccccn3n2)c1	791268692	YJRZJXWWOPNBEI-UHFFFAOYSA-N	324.344	1.753	50	20	DDGD	
CC[C@H]1CCC[C@H]1NCC(=O)NNC(=O)c1ccc(F)cc1	794575898	OMEMIIAHQKGMPW-SMDDNHRTSA-N	307.369	1.755	50	20	DDGD	
Cc1nn(C)c(C=NNC(=O)c2ccc[nH]2)c1Br	790290700	OIACBMCSHZPONP-UHFFFAOYSA-N	310.155	1.583	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)c1cccc(Cl)c1)c1cnn(C)c1	798351139	QTBDAEMLJKCMQU-LBPRGKRZSA-N	322.752	1.222	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)CCc1ncc[nH]1	798154809	SGHWYIBSBKDUPH-UHFFFAOYSA-N	322.752	1.466	50	20	DDGD	
O=C(c1cc(F)ccc1Br)N1CC[C@H](B(O)O)C1	585070318	YSRKTEQBPORRHM-ZETCQYMHSA-N	315.935	1.277	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccccc2Cl)nn1	1318754765	XZGCAKUMTPKNBR-UHFFFAOYSA-N	306.709	1.213	50	20	DDGD	
CC1=C2C(=C(NNC(=O)C[n+]3ccccc3)C[C@@H]2C)C(=O)C=C1	1321467611	QSKBTIMBSJAQOV-ZDUSSCGKSA-O	310.377	1.344	50	20	DDGD	
COc1cc(C(C)=NNC(=O)CCN2CCC(C)CC2)on1	1324201829	LKCZUCNTLZLDDL-UHFFFAOYSA-N	308.382	1.645	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)COCc1ccncc1	1324101707	TWJHRVOTIKOICV-UHFFFAOYSA-N	314.345	1.760	50	20	DDGD	
CNC(=O)CC1CCN(S(=O)(=O)CC(C)(C)CCl)CC1	1331935562	SKWKAESDQJLAHV-UHFFFAOYSA-N	324.874	1.429	50	20	DDGD	
C[C@@H](OC1CCCCC1)C(=O)NNC(=O)c1cccc(F)n1	1347878455	LRPDMWXFYSXLHG-SNVBAGLBSA-N	309.341	1.720	50	20	DDGD	
Cn1ncc(C(=O)NNC(=S)Nc2ccccn2)c1C1CC1	1349006073	LANDUQDULFKKDB-UHFFFAOYSA-N	316.390	1.324	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCc2nccn2C)cc1	1348434233	ONCNEAGDTDCWJE-UHFFFAOYSA-N	300.362	1.376	50	20	DDGD	
COC(=O)N(C)NC(=O)CC[C@H]1[C@H](C)n2nccc2N[C@@H]1C	1348622163	FXPQHOKJTMYJQI-OUAUKWLOSA-N	309.370	1.384	50	20	DDGD	
CC(=O)N1CCN(CCNC(=O)c2cccc(CCl)c2)CC1	1346711565	MPXWAKVIUXOFQN-UHFFFAOYSA-N	323.824	1.319	50	20	DDGD	
O=C(NCc1nc2c(s1)CCC2)NNc1ncncc1Cl	1342181431	AHMXSSJHIQTBRE-UHFFFAOYSA-N	324.797	1.902	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NNC(=O)[C@H]2C[C@H]2F)n[nH]1	1519840895	JBKXNIFBZDZGQF-VHSXEESVSA-N	318.308	1.204	50	20	DDGD	
C[C@@H]1CN2CCN1C[C@H]2C(=O)NNc1ccc(C(C)(C)C)cc1	1528093901	BJBZBFGDBRPDSG-CJNGLKHVSA-N	316.449	1.816	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(C(=O)O)cc1OC	1602701367	HEZGHPZWCNLNMH-UHFFFAOYSA-N	319.317	1.350	50	20	DDGD	
N#C[C@]1(C(=O)NNc2ccc(C(=O)O)c(F)c2)CCCOC1	1608172027	LNJHNBKMCFRVSY-CQSZACIVSA-N	307.281	1.287	50	20	DDGD	
C[C@H]1CCCN(C(=O)CCNC(=O)NNC(=O)C2CCCC2)C1	1521769746	GMJLTNBRDWLKKG-LBPRGKRZSA-N	324.425	1.156	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H]2C[C@H](C)O[C@H]2C)cccc1C(=O)O	1600051858	XIKDVRLZLCLDEX-GMOODISLSA-N	307.350	1.885	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@H]2CCCN(C3CC3)C2=O)c1	1602448879	WMSHYBQZPWDQTP-CYBMUJFWSA-N	317.345	1.229	50	20	DDGD	
CCNc1nc(C(=O)NNc2ccc(CC(=O)O)cc2)cs1	1605502489	COUDPYHTFWWMDX-UHFFFAOYSA-N	320.374	1.959	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)c1cc(-c2nn[nH]n2)ccn1	1609559659	XSKIKZDHCLEGEN-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cnc3ccccc3n2)nc1	1602384303	JWKLCOXPVSFDTC-UHFFFAOYSA-N	309.285	1.480	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)c(F)c1	1549313878	IVNOLDNMORWTNF-WFASDCNBSA-N	321.352	1.148	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1ccc(-n2cccn2)nc1	1610699862	GIIBCGNDGHXTPY-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1cccc(O)c1	1549312304	BGUFHSNOGCIRJK-ZFWWWQNUSA-N	303.362	1.096	50	20	DDGD	
Cc1cc(Cl)ccc1C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549322402	YWVSRASNBBAZED-GJZGRUSLSA-N	321.808	1.962	50	20	DDGD	
CCS(=O)(=O)N1CC(CNC(=O)C2CCC(Cl)CC2)C1	1548691043	SZGVHRKMABYVIB-UHFFFAOYSA-N	322.858	1.182	50	20	DDGD	
COc1cccc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)c1	1549316401	RTMJYWVHGCZMLL-DZGCQCFKSA-N	303.362	1.009	50	20	DDGD	
CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](F)Cl)[nH]n1	1817022430	RLCJNIGUUPDAED-MWLCHTKSSA-N	302.737	1.956	50	20	DDGD	
CCCCNC(=O)NN=C[C@H]1CCCO[C@@H]1c1nccn1C	1552447291	RBSCTPVPJFPJGX-OLZOCXBDSA-N	307.398	1.973	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@@H]1C=NNC(=O)c1cnccn1	1552757354	CXFKJHKZDJYFAW-YPMHNXCESA-N	314.349	1.186	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCC[C@H](N)Cc1ccccc1	1575232341	WFQGFJVZNRDODY-ZDUSSCGKSA-N	322.409	1.685	50	20	DDGD	
CNCCOc1cccc(C(=O)NN[C@H](C)C(F)(F)F)c1	1578712692	NKQVNZVZKHBFQO-SECBINFHSA-N	305.300	1.470	50	20	DDGD	
O=C(NNc1ccc(F)cn1)Nc1nccc([C@H]2CCNC2)n1	1580739297	CFNYMPRUUVHAAA-VIFPVBQESA-N	317.328	1.236	50	20	DDGD	
C[C@]1(CNc2ccc(-c3nn[nH]n3)c(N)n2)C[C@@H]1Br	1590134110	NZPSEMRZIXYGGS-WRWORJQWSA-N	324.186	1.429	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](C(=O)O)c1ccc2c(c1)CCO2	1596863277	PRVZTIJDIBQJIR-UQTJOTSZSA-N	316.313	1.307	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1cccc(C(=O)O)c1C	1598642500	QWADOIPXSYEQFG-UHFFFAOYSA-N	307.350	1.443	50	20	DDGD	
C[C@]1(CNC(=O)c2cc(C(=O)O)ccn2)C[C@H]1Br	1594026866	JCXXIYNVULTXBZ-BXKDBHETSA-N	313.151	1.683	50	20	DDGD	
COc1nc(C)ccc1C(=O)NNc1ncccc1C(=O)O	1594155905	CZQMMVUFJSPDGD-UHFFFAOYSA-N	302.290	1.249	50	20	DDGD	
C[C@]1(CNC(=O)c2cc(C(=O)O)ccn2)C[C@@H]1Br	1594026868	JCXXIYNVULTXBZ-JOYOIKCWSA-N	313.151	1.683	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cc(F)c(C(=O)O)c(F)c1	1776118047	QIHOPQQMOUDYLW-WTKPLQERSA-N	310.256	1.333	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C/c1cccn2c(C(=O)O)cnc12	1776117944	NBEURLMKHGICNQ-ONNFQVAWSA-N	304.269	1.199	50	20	DDGD	
O=C(NN=Cc1c[nH]c2c(C(=O)O)cccc12)c1ncccn1	1776082162	ZYVFZZQCZMGRLZ-UHFFFAOYSA-N	309.285	1.420	50	20	DDGD	
CCC(=O)NN=Cc1cc(C(=O)O)cc(Br)c1O	1776015529	CPZFNVINSZWMGL-UHFFFAOYSA-N	315.123	1.713	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccc[nH]c2=S)cc1	11404821	QINNUFDZGYLVQE-UHFFFAOYSA-N	317.370	1.893	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]1c1cccc(F)c1F)c1ccc[nH]1	158855943	JPHAPNFHHCPKHP-UWVGGRQHSA-N	305.284	1.858	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNc1nc(C(F)(F)F)cs1	152859228	WZEUTLXOOMPKJG-UHFFFAOYSA-N	324.328	1.767	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)[nH]n1	153366131	PPUBBHBVFQPOBH-BDAKNGLRSA-N	320.299	1.561	50	20	DDGD	
CCc1nn(C)c(Cl)c1C(=O)NNc1cc(C)nc(C)n1	157264453	LSNLYCUCRLXIQH-UHFFFAOYSA-N	308.773	1.800	50	20	DDGD	
CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NNc1cccc(F)c1	154734378	HQSMJTCQDVJKNK-LLVKDONJSA-N	317.386	1.233	50	20	DDGD	
CCN(CCCNS(=O)(=O)CCl)C(=O)OC(C)(C)C	829952186	HPWGSTKMYIGDHP-UHFFFAOYSA-N	314.835	1.749	50	20	DDGD	
Cc1[nH]c2ccc(C(=O)NNC(=O)Cc3cc[nH]n3)cc2c1C	106417143	JIWVRXHQBHARGD-UHFFFAOYSA-N	311.345	1.512	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)C2CCCCC2)cc1	10627195	NARFDINOGOKDLM-UHFFFAOYSA-N	318.373	1.880	50	20	DDGD	
O=C(CC[C@@H]1CCCO1)NNc1nc(-c2ccncc2)no1	102185890	MXRGHCXHYXMQDZ-NSHDSACASA-N	303.322	1.534	50	20	DDGD	
CC[C@H](C)NC(=O)CCNC(=O)NNc1nc(C)cc(C)n1	56917391	AEWHBSLEMNFBEW-VIFPVBQESA-N	308.386	1.024	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1ccc(N2CCCC2)nn1	171301823	BQZIQHBTAPOLOV-UHFFFAOYSA-N	317.393	1.418	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NNC(=O)C(C)(C)C)c1ccccc1	111499633	VVMGTQOBSRTBBH-GFCCVEGCSA-N	320.393	1.588	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cc(Cl)c(Cl)[nH]2)cn1	117820204	XBQYSKCOQWJGDH-UHFFFAOYSA-N	302.121	1.130	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1csc(-c2ccoc2)n1	170979716	GXZRZQWPBSQJSQ-UHFFFAOYSA-N	322.346	1.090	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNC(=O)c2ccc(Cl)cc2)c1	28271558	JUFXJOMKOJJNJW-UHFFFAOYSA-N	317.732	1.514	50	20	DDGD	
O=C(CN1CCC[C@@H]1c1cccc(F)c1)NNC(=O)C1CC1	112977368	NZSUTLFSRYBUCO-CQSZACIVSA-N	305.353	1.520	50	20	DDGD	
COCCC(=O)NNC(=O)Cc1nc(-c2ccccc2)cs1	171365902	PRCJHIRFSALBLI-UHFFFAOYSA-N	319.386	1.537	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2nc(C)c(C)s2)n1	175609421	KTKPXRNQMWUSIY-UHFFFAOYSA-N	322.394	1.693	50	20	DDGD	
CC(C)N1CCC(C(=O)NNC(=O)Cc2ccc(F)cc2)CC1	173645122	WEVXTSOHGVUIMZ-UHFFFAOYSA-N	321.396	1.636	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1CCCN(c2ccccc2)C1	115837593	FXUKHCGDIAGDQY-CYBMUJFWSA-N	320.393	1.022	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)[C@H]1COCCO1	178886507	LBNMBKVZEDDSFB-SNVBAGLBSA-N	308.231	1.703	50	20	DDGD	
CC(=O)N(C)CC(=O)NNc1ccc(Br)c(C)c1	114889877	UTDWUFJIPCBXGS-UHFFFAOYSA-N	314.183	1.679	50	20	DDGD	
CCCCCC[C@@H](CC)C(=O)NNC(=O)C(=O)N1CCCC1	116741152	ZSOYIDCQVLXLLK-CYBMUJFWSA-N	311.426	1.753	50	20	DDGD	
C[C@@H](Cc1ccccc1F)C(=O)NNC(=O)Cc1cccnc1	119704571	IMQBMTGBPVZRQW-LBPRGKRZSA-N	315.348	1.789	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)c2cc[nH]c2C)cc1OC	174986616	HRMUCMKTGJVJHM-UHFFFAOYSA-N	317.345	1.805	50	20	DDGD	
CCOC(=O)NNC(=O)c1c(C)nn(-c2ccccc2)c1C	61475846	YRRLHOBEGSCRFN-UHFFFAOYSA-N	302.334	1.880	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C2CCN(C(C)C)CC2)n1	174474644	CKPBHGGULBVSDZ-UHFFFAOYSA-N	307.398	1.357	50	20	DDGD	
O=C(NNc1nnc(C2CC2)s1)c1ccc(O)c([N+](=O)[O-])c1	128888826	XEWOCAFBAWKFKM-UHFFFAOYSA-N	321.318	1.786	50	20	DDGD	
CCc1cccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)c1	126160902	GRUJPBFGCZHSOJ-UHFFFAOYSA-N	305.378	1.771	50	20	DDGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NC[C@@H](C)O)c1C	128335362	RJYNGYYAMGRWCM-QKCYPBQPSA-N	319.405	1.716	50	20	DDGD	
COc1ccc2nc(NNC(=O)c3ccc[n+]([O-])c3)c(C)cc2c1	183180948	LQZAWFCUSUHMOQ-UHFFFAOYSA-N	324.340	1.942	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)Nc1cccc(C)c1C	122234847	MBAZGYZNLGKPBX-UHFFFAOYSA-N	320.393	1.761	50	20	DDGD	
Cc1ccccc1[C@@H](CC(=O)NNc1ccccn1)NC(N)=O	181184086	KYEFNAGCFOSZMU-CYBMUJFWSA-N	313.361	1.633	50	20	DDGD	
Cc1nc(O)c2ccc(C(=O)NNC(=S)NC(C)C)cc2n1	1350574501	SVEZWPAZJCJAKJ-UHFFFAOYSA-N	319.390	1.161	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)CC[C@@H]1CCCO1	73521489	RXSBBFFDPGKSMC-LBPRGKRZSA-N	316.361	1.363	50	20	DDGD	
COc1cccc(C(=O)NNc2cc(C)nc(C)n2)c1OC	128823700	JGFQLCXPHNQART-UHFFFAOYSA-N	302.334	1.868	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(N(C)c2ccccc2)nc1	139166100	DGMJWUGJMZXLBK-UHFFFAOYSA-N	313.361	1.813	50	20	DDGD	
O=C(CCc1nc(-c2ccsc2)no1)NNc1ncccn1	44716417	RPVKTWQJCAOWPF-UHFFFAOYSA-N	316.346	1.664	50	20	DDGD	
COc1nccnc1NNC(=O)Cc1ccccc1OC(F)F	131712876	HHDNCDANLFRVOU-UHFFFAOYSA-N	324.287	1.772	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCCC(=O)OCc1ccccc1	130240323	FIXYMCDVOFBVMY-SDNWHVSQSA-N	302.330	1.680	50	20	DDGD	
CC#CCNC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	134961142	IIOKUIUQEAKKEX-JTQLQIEISA-N	305.403	1.840	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)NCC3CC3)[nH]n2)cc1	45459328	ONIOWKNEJAITHR-UHFFFAOYSA-N	313.361	1.739	50	20	DDGD	
CC1CCN(CC(=O)NNc2ncnc3ccsc23)CC1	132841606	MQHWEMCHZKBWIY-UHFFFAOYSA-N	305.407	1.866	50	20	DDGD	
Cn1ccc2cccc(NC(=O)C(=O)NNc3ccccn3)c21	190586954	LVWNSQUIAXMFOQ-UHFFFAOYSA-N	309.329	1.655	50	20	DDGD	
Cc1nc(CNC(=O)NNC(=O)Cc2ccncc2)sc1C	83235676	NCXZDELOQOCWHR-UHFFFAOYSA-N	319.390	1.228	50	20	DDGD	
O=C(CC1OCCCO1)NNc1nc(-c2ccccc2)no1	193214441	KVDUWPVWGLBULL-UHFFFAOYSA-N	304.306	1.333	50	20	DDGD	
CN(C)c1ccnc(C(=O)NNC(=O)c2ccc(Cl)cc2)c1	195202211	GGHCHJCNULRNJA-UHFFFAOYSA-N	318.764	1.876	50	20	DDGD	
Cc1nc2cc(F)ccc2cc1C(=O)NNC(=O)C(C)(C)O	190055540	KKDPHELXRLFAEI-UHFFFAOYSA-N	305.309	1.214	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc(N(C)CCOC)nc1	191341713	DXPHMTHLYFUAKC-UVTDQMKNSA-N	323.418	1.853	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2cc(F)ccc2C)c1	190044554	KQTSMIUTHWEQKI-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
CC(C)(C)OC(=O)CCC(=O)NNC(=O)CCc1ccccc1	192299168	MBXMNJMBRFVKGT-UHFFFAOYSA-N	320.389	1.889	50	20	DDGD	
O=C(C#Cc1ccc(C(F)(F)F)cc1)NNC(=O)c1ccc[nH]1	191167279	HHEBKMMKDPKHLB-UHFFFAOYSA-N	321.258	1.846	50	20	DDGD	
O=C(CC1C[C@@H]2CC[C@H](C1)N2)NNc1ccccc1[N+](=O)[O-]	237891725	KHDKSEHZJIVELQ-YOGCLGLASA-N	304.350	1.959	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NC[C@H](OC)C(C)C	266709770	HFHWNEFUOJERJB-AWEZNQCLSA-N	323.393	1.239	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1c[nH]c(-c2ccccc2)n1	265436708	ITASZSSYAVZIOO-UHFFFAOYSA-N	317.349	1.057	50	20	DDGD	
CN(NC(=O)c1cn(CC(=O)C(C)(C)C)nn1)c1ccccc1	268596922	KTEJSOXHPQYGTJ-UHFFFAOYSA-N	315.377	1.675	50	20	DDGD	
CCCNC(=O)c1cccc(C(=O)NNC(=O)CC(C)C)c1	265876555	JIQFSVZFPILTSS-UHFFFAOYSA-N	305.378	1.634	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cc(OC)cc(OC)c1	268971953	OKVFLJUTABQJLA-VIFPVBQESA-N	316.379	1.059	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CS(=O)(=O)C(C)(C)C)n1	271095145	MOFSXHPYAIYQKO-UHFFFAOYSA-N	320.802	1.095	50	20	DDGD	
C[C@H]1C(=O)CC[C@H](C(=O)NNC(=O)c2ccncc2)C1(C)C	275582454	ZIQKVRVIHCGZNL-CMPLNLGQSA-N	303.362	1.484	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)Nc1ccc(F)cc1Cl	274055883	JZYPMAGWETXSQB-UHFFFAOYSA-N	313.716	1.365	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(NC(=O)NC(C)C)cc1	271431893	PWIVJVBBFRSBQC-UHFFFAOYSA-N	321.381	1.523	50	20	DDGD	
CC[C@@H]1C[C@H](CC(=O)NNC(=O)c2ccccc2O)CCO1	273268205	WOXQKZTUPUQPOI-VXGBXAGGSA-N	306.362	1.749	50	20	DDGD	
CC[C@H](C)[C@@H](NC(=O)NNC(=O)c1cc(C)n[nH]1)C(F)(F)F	278457622	GWCZVRJTQLIACK-IMTBSYHQSA-N	321.303	1.639	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CC[C@H]2CC[C@@H](C)O2)nc1	270358506	FTXCCXRNUKAMGJ-ZYHUDNBSSA-N	307.350	1.659	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@H](NC(=O)NNc2ccc(Cl)nn2)C1(C)C	271754945	AHFIWUIWLQMAIL-PPKCKEKNSA-N	313.789	1.816	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H]2CCO[C@@H](C(C)C)C2)n1	272575359	QEBUWUIYEYOCPX-NWDGAFQWSA-N	308.382	1.920	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCC(=O)OC(C)(C)C)n1	277921641	DVTKQGNWWZUNID-UHFFFAOYSA-N	310.354	1.359	50	20	DDGD	
CSCCCNC(=O)NNc1cccc(S(C)(=O)=O)c1	271909876	PLMJZFJNHZKFJH-UHFFFAOYSA-N	317.436	1.469	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@H]2[C@H](N)CC[C@H]2C1	273408492	METQMSCTQMPLJS-YNEHKIRRSA-N	310.829	1.548	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1ccc(C(C)(C)C)cc1	275494620	QAPMGWXYXJATHZ-UHFFFAOYSA-N	313.423	1.839	50	20	DDGD	
CC1(C)CCC[C@H](NC(=O)NNC(=O)Cc2cccnc2)C1	276867288	DIWMBCYKJWFENB-ZDUSSCGKSA-N	304.394	1.923	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNc2cccc(S(C)(=O)=O)c2)O1	281922077	AGVCLLXDUIGPKT-BREBYQMCSA-N	312.391	1.347	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2cccc(C(F)F)c2)CC1	287799388	MDLCAIPVXGGNRU-UHFFFAOYSA-N	312.320	1.226	50	20	DDGD	
CCN(CCOCCO)C(=O)/C(C#N)=C\c1ccc(O)cc1	282634940	WURCXBXCKRYLMH-KAMYIIQDSA-N	304.346	1.157	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)N[C@H]1C[C@H](c2ccccc2)C1	281856382	SPGDDHZOUISQKB-WKILWMFISA-N	324.384	1.901	50	20	DDGD	
COc1ccc(NNC(=O)c2cnc(C3OCCO3)s2)cc1	289175373	QQLKKDVZUZMWCG-UHFFFAOYSA-N	321.358	1.954	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)CCc1ccccc1O	280791455	USPFNZJGPRBWGE-DGCLKSJQSA-N	318.373	1.478	50	20	DDGD	
Cc1ccc(CNC(=O)NCC(=O)NCC(Cl)Cl)cc1	288829157	HYSUNGTVNWLQED-UHFFFAOYSA-N	318.204	1.714	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1c(C)c(C)nn1C	285419452	XQVVQLMKPCFKGW-UHFFFAOYSA-N	302.425	1.103	50	20	DDGD	
CN(CCC(=O)NNc1ccnc(F)c1)C(=O)OC(C)(C)C	285737011	GVJAWRDIULOJCP-UHFFFAOYSA-N	312.345	1.921	50	20	DDGD	
O=C(CCn1ccc2ccccc21)NNC(=O)[C@@H]1CCCCO1	295256780	AUDZOQYBMUKSDV-HNNXBMFYSA-N	315.373	1.748	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H](C)NC(=O)C2CCCC2)n1	298728318	NBOUELHNGVCSHZ-NSHDSACASA-N	305.382	1.231	50	20	DDGD	
CNc1snc(C)c1C(=O)NNC(=O)Nc1ccccc1	801985827	KGTHPWBKEFOQCV-UHFFFAOYSA-N	305.363	1.960	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCn3c(cnc3C)C2)o1	290389855	MHMALJDWPKMVDV-NSHDSACASA-N	302.334	1.117	50	20	DDGD	
NC(=O)CSc1ccccc1C(=O)NNc1cccc(F)n1	804767698	SSYIPPYDBIPRTB-UHFFFAOYSA-N	320.349	1.555	50	20	DDGD	
COC(=O)[C@H]1CCC[C@H](C(=O)NNc2ncc(F)cc2F)C1	297014692	RVSBPAYNCTUKJS-IUCAKERBSA-N	313.304	1.782	50	20	DDGD	
CCCC[C@H](C)C(=O)OCC(=O)NNC(=O)c1cccs1	800278543	WVNFBQCSDWBDBP-JTQLQIEISA-N	312.391	1.879	50	20	DDGD	
Cn1c(C(=O)NNc2ncccc2F)cc2ccccc2c1=O	804217809	HZRWCANBUBKEHK-UHFFFAOYSA-N	312.304	1.830	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)COc2ccccc2C#N)no1	804029973	LAUHHDKXNIJSHI-UHFFFAOYSA-N	315.289	1.086	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1nn(CC)nc1C)c1ccccc1	293023659	ARKDMEYQCHOBPL-ZDUSSCGKSA-N	315.377	1.561	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCc2ncccc2C)s1	296379790	PBNWKYCWBIDVLB-UHFFFAOYSA-N	318.402	1.947	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(CC(=O)NNc2ccncn2)C1	295568626	VNDDWDTUYTXFTR-UHFFFAOYSA-N	307.354	1.177	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccc([N+](=O)[O-])o2)cc1	802061386	NRIIEZZQKMYKFF-UHFFFAOYSA-N	320.261	1.663	50	20	DDGD	
Cc1noc(C)c1CSCC(=O)NNc1ncncc1F	293994926	LUNJQBZTZKPKOR-UHFFFAOYSA-N	311.342	1.597	50	20	DDGD	
N#CCNC(=O)CNC(=O)NNc1cc(Cl)cc(Cl)c1	807552837	IFFHLWPVFMXSAV-UHFFFAOYSA-N	316.148	1.259	50	20	DDGD	
COc1cccc(/C=C/C(=O)NNC(=O)[C@H]2CCCCO2)c1	295708219	JITNWFNTVFIATJ-MYSGNRETSA-N	304.346	1.425	50	20	DDGD	
Cc1nc(Cl)ccc1NC(=O)C(=O)NNc1ncccc1F	807300626	QZVNFEPYUBWKNI-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
CC[C@@H](C)CONC(=O)NNC(=O)c1cccc(N(C)C)c1	291961447	WNDITYFNNYANNI-LLVKDONJSA-N	308.382	1.674	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1c[nH]c(C(F)(F)F)c1	807975785	ZOEIXJCHFNHPCN-QMMMGPOBSA-N	307.272	1.535	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)CCc1ccccc1)C(C)(C)C	808314850	JZGLBLODQGLEAB-CQSZACIVSA-N	301.390	1.998	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@@H]2CN(S(=O)(=O)CCl)[C@@H]2C1	819908313	AVGAVJFINROIBM-NXEZZACHSA-N	324.830	1.454	50	20	DDGD	
CCc1c(C(=O)NN(C)CCOC)cnn1-c1ccccc1	816562461	MLNPDQKCEKFMQN-UHFFFAOYSA-N	302.378	1.658	50	20	DDGD	
CCOc1ccc(NNC(=O)c2cnc3[nH]c(O)nc3c2)cc1	817885645	HZHWDVPYCMMGPG-UHFFFAOYSA-N	313.317	1.819	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1CCO[C@H](C(F)(F)F)C1	814794793	LOUHMWLWQKNGGG-ZETCQYMHSA-N	322.312	1.861	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)CCOc1ccccc1	812535884	JISDUAYQJOZUMC-CHWSQXEVSA-N	308.378	1.522	50	20	DDGD	
C[C@@H]1C(=NNC(=O)N2CCOCC2)CC[C@H](C(=O)O)C1(C)C	814820868	DPVNYNOKMDXLHN-GHMZBOCLSA-N	311.382	1.541	50	20	DDGD	
O=C(CN1CSCC1=O)NNc1cc(Cl)nc(Cl)c1	819741292	INAOPRZNDKNSAO-UHFFFAOYSA-N	321.189	1.364	50	20	DDGD	
CN(NC(=O)c1c(Br)nc2n1CCCC2)C1CC1	819653179	JHXIQEBKSKAFFY-UHFFFAOYSA-N	313.199	1.721	50	20	DDGD	
O=C(CCn1cc([N+](=O)[O-])cn1)NNc1cccc(Cl)n1	817006095	VSHPIEZGUJCCSU-UHFFFAOYSA-N	310.701	1.373	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2sccc2C#N)nc1	815579377	MBAIHVOSIXUANL-UHFFFAOYSA-N	317.330	1.105	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2ccc(N(C)C)c(F)c2)n[nH]1	727651208	NDGZOPOOXMVTKC-UHFFFAOYSA-N	303.341	1.616	50	20	DDGD	
CSC1(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CCC1	826648778	JXSHFDXZZWLQGJ-NXEZZACHSA-N	301.412	1.028	50	20	DDGD	
CC(C)(NC(=O)O)C(=O)NNC(=O)c1cc2ccccc2o1	824025647	VQMXKBNAWCEGDQ-UHFFFAOYSA-N	305.290	1.240	50	20	DDGD	
CSc1ccccc1NC(=O)CN(C)S(=O)(=O)CCl	820783964	UZFMXHGULAAFAA-UHFFFAOYSA-N	322.839	1.805	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)C	827690088	JPMXFSNDZPTLEM-NSHDSACASA-N	314.430	1.256	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)Cc1cccc(OCC(F)(F)F)c1	823946503	KVVGYPWJUUMKEK-SNVBAGLBSA-N	320.311	1.514	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1ccc2[nH]ncc2c1	495366666	GXJYCMSVIUSTNE-UHFFFAOYSA-N	319.321	1.057	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NN=Cc1cccnc1N	494078128	KTRZAMIETIZLSI-UHFFFAOYSA-N	321.381	1.419	50	20	DDGD	
CCC(CC)N(CCOC)C(=O)/C(C#N)=C/c1cnn(C)c1	491047068	ICQBRMVWLLFBDO-NTEUORMPSA-N	304.394	1.991	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC[C@@H]1c1ccccc1	827315995	XMFHFARVLJARMU-NWANDNLSSA-N	317.389	1.989	50	20	DDGD	
O=C(CCc1ncc[nH]1)NNC(=S)NCCc1cccs1	820171113	FUUZXFXYGHGPDI-UHFFFAOYSA-N	323.447	1.142	50	20	DDGD	
OB(O)c1ccc(CN[C@H](c2cccs2)C2CC2)c(F)c1	585014849	GGFATVQMGHAQES-HNNXBMFYSA-N	305.183	1.808	50	20	DDGD	
CC(C)CN1CCC(NC(=O)/C(C#N)=C/c2cnn(C)c2)CC1	491052124	UTOOKZYHTILYBM-OVCLIPMQSA-N	315.421	1.564	50	20	DDGD	
Cn1nccc1/C=C(\C#N)C(=O)NCc1ccc(F)cc1F	490699961	UILIWTAFSFCXOP-IZZDOVSWSA-N	302.284	1.922	50	20	DDGD	
CCCN(NC(=O)[C@H]1CCCC(=O)N1C)C(=O)OC(C)(C)C	908160039	OPDSRTAKTVOFKW-LLVKDONJSA-N	313.398	1.676	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CC[C@H](c2nc[nH]n2)C1	491082327	IOTWSTFZVBPWIA-BPLGCGBFSA-N	311.320	1.867	50	20	DDGD	
CCN(CCO)NC(=O)c1cn(-c2ccccc2)nc1C(C)C	823893273	CDVXIXFZXOHCQE-UHFFFAOYSA-N	316.405	1.955	50	20	DDGD	
CCN(CCO)NC(=O)CNc1cccc(C(F)(F)F)c1	823856688	XGYXECHPQYAWIK-UHFFFAOYSA-N	305.300	1.463	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cc(O)cs2)cc1	732275711	JAINIXHXKNBQEY-UHFFFAOYSA-N	320.370	1.856	50	20	DDGD	
Cc1cc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c(C)nn1	826259850	JOTCGLIFGBCRBX-UHFFFAOYSA-N	310.321	1.030	50	20	DDGD	
CCc1cnc([C@@H](C)NCc2ccc(B(O)O)cc2F)s1	585017517	YZGKYUJYQDRAHG-SECBINFHSA-N	308.187	1.375	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C/c1ccc(N2CCOCC2)cc1	588555434	YDGYPYLYIAKRPR-RVDMUPIBSA-N	306.387	1.822	50	20	DDGD	
CCN(CC)c1ncc(C=NNC(=O)c2cnn(C)c2)s1	735411102	LMINOQYQOYSEBI-UHFFFAOYSA-N	306.395	1.487	50	20	DDGD	
CCCCNC(=O)NN=Cc1c(C)nn(CCC(=O)O)c1C	736998614	NJLHEKRAKMJMCR-UHFFFAOYSA-N	309.370	1.408	50	20	DDGD	
O=C(NNc1cccc(Cl)c1)c1ccc(-c2nn[nH]n2)nc1	738137061	MGPMLRNXMMVXHL-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
C[C@H]1CCC[C@@H]1NC(=O)NNC(=O)CNC(=O)OC(C)(C)C	494555943	SJFWGGJEBWCRAH-UWVGGRQHSA-N	314.386	1.030	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)Cc1c[nH]c2ccccc12	834930490	SSNXGWTUKZXBDP-UHFFFAOYSA-N	310.361	1.781	50	20	DDGD	
C[C@H](CN1CCN(C)CC1)NC(=O)NNc1ccc(F)cc1	730134202	RZZABBICFLZQNJ-GFCCVEGCSA-N	309.389	1.088	50	20	DDGD	
O=C(CN[C@@H]1CCC[C@@H]2C[C@@H]21)NNC(=O)c1ccccc1Cl	830580908	WGUDWHCVDFNOAH-SCDSUCTJSA-N	321.808	1.879	50	20	DDGD	
Cc1nc(C)c(CCC(=O)NNc2ccc(Cl)nn2)c(O)n1	735686784	GHJGIBXRTUNRLI-UHFFFAOYSA-N	322.756	1.318	50	20	DDGD	
N#Cc1cccc([C@H](NNC(=O)CCc2ccco2)C(=O)O)c1	833075138	IDCCOEZCILUSKQ-HNNXBMFYSA-N	313.313	1.531	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)COc2cc(C)ccc2C)n1	834923048	VRNRLPAYXJNDIA-UHFFFAOYSA-N	315.377	1.752	50	20	DDGD	
O=C(NNC(=O)c1ccnc(NC2CCC2)c1)NC1CCCC1	900415877	ZYJYQMNHUZDODN-UHFFFAOYSA-N	317.393	1.933	50	20	DDGD	
CN1C(=O)CCC[C@H]1C(=O)NNC(=O)c1cc2ccccc2o1	906914164	KCTUXFPSVCTUJY-NSHDSACASA-N	315.329	1.205	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=C2C[C@H](C)O[C@@H]2C)C[C@@H](C)O1	834934540	NNIQYWKVLOLLAP-QSLWVIQJSA-N	311.426	1.401	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)s1	730576315	OZRKMUCALIONOC-QMMMGPOBSA-N	320.823	1.676	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cccnc1C1CC1	830189960	FLTJERWRVXNHBE-UHFFFAOYSA-N	321.377	1.509	50	20	DDGD	
C[C@@]1(C(=O)N[C@@H]2CCCC(F)(F)[C@H]2O)C[C@H]1Br	910472959	YYHXAGBTLNHCAA-BDNRQGISSA-N	312.154	1.825	50	20	DDGD	
C[C@@H](CNCc1cccc(B(O)O)c1)Oc1ccccc1Cl	585024846	FCNUVNYVBOFVDM-LBPRGKRZSA-N	319.597	1.577	50	20	DDGD	
CN(C)c1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)c2ccncc2)cc1	730512098	LJGAYZQMBKKQEA-JKSUJKDBSA-N	324.384	1.712	50	20	DDGD	
C[C@H](CN1CCCCCC1)C(=O)NN=CCCc1cnn(C)c1	834933062	HWPKBNYHWPRZCN-OAHLLOKOSA-N	319.453	1.967	50	20	DDGD	
O=C(O)NCC(=O)NNc1ccc(OCC(F)(F)F)cc1	833777156	FNOMTDYIYRHJFF-UHFFFAOYSA-N	307.228	1.338	50	20	DDGD	
CCC[C@H](NCc1ccc(B(O)O)cc1)[C@@H](O)c1ccccc1	585038939	MYBSRYCTFUGDAB-ROUUACIJSA-N	313.206	1.358	50	20	DDGD	
Cc1n[nH]c(C)c1C=NNC(=O)c1cnn(-c2ccccc2)c1	733076974	APFNHJHBLVGERQ-UHFFFAOYSA-N	308.345	1.976	50	20	DDGD	
CC(C)N1C[C@H](NC(=O)[C@@]2(C)C[C@H]2Br)CC1=O	906501625	LHZZYFFZCVWBCA-LNLATYFQSA-N	303.200	1.285	50	20	DDGD	
CN1CCC(N2CC[C@@H](NC(=O)NNc3ccccc3)C2)CC1	734283358	IRRDFUZLHZGOOO-OAHLLOKOSA-N	317.437	1.481	50	20	DDGD	
CC(C)[C@@]1(C)C[C@H]1NC(=O)NNc1nc(O)c2cnn(C)c2n1	838763828	LQJXNRMYUUFHLM-YMTOWFKASA-N	319.369	1.130	50	20	DDGD	
COc1ccnc(C(=O)NNC(=O)CCc2ccccc2O)c1	734865395	RMCPDPXDCGASMI-UHFFFAOYSA-N	315.329	1.190	50	20	DDGD	
N#Cc1cccc(C(=O)NN=Cc2ccc(-c3nn[nH]n3)cc2)c1	737723618	ZLIVSTSSVFXYNK-UHFFFAOYSA-N	317.312	1.502	50	20	DDGD	
C[C@](Cc1ccccc1)(NC(=O)c1cccc(B(O)O)c1)C1CC1	584999164	JCJFFXCVHNULTJ-LJQANCHMSA-N	323.201	1.508	50	20	DDGD	
CN(C)Cc1ccc(C(=O)NN=Cc2c[nH]c(C(=O)O)c2)o1	830619701	IQQUTYPJPLMXOR-UHFFFAOYSA-N	304.306	1.131	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2c[nH]nc2C)cc(OC)c1C	731851592	FSRNAFBJTXLVNW-UHFFFAOYSA-N	318.333	1.119	50	20	DDGD	
CC1(CCNC(=O)/C(C#N)=C/c2ccc(O)cc2)OCCO1	588608887	NTTNKNUAEFEDET-JLHYYAGUSA-N	302.330	1.568	50	20	DDGD	
Cc1c(C#N)cccc1NC(=O)NNC(=O)[C@@H]1CCCCO1	836469125	BDUCGABSBQLFQF-ZDUSSCGKSA-N	302.334	1.589	50	20	DDGD	
COc1ccc(C=NNC(=O)c2sc(N)nc2C)c(O)c1	914695467	WXCGPXPAAPDACK-UHFFFAOYSA-N	306.347	1.512	50	20	DDGD	
O=C(NCc1cocn1)NNC(=O)c1cc2c(s1)CCC2	730830150	LNQAQTNAOVCGLA-UHFFFAOYSA-N	306.347	1.369	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C[C@](C)(O)C2CC2)ccc1F	837035938	ITKXCIJTBQFHNS-HNNXBMFYSA-N	310.325	1.607	50	20	DDGD	
CO[C@@](C)(CNC(=O)NNC(=O)CC(C)C)c1ccccc1	836587442	AFAHGLMZMBBXSA-INIZCTEOSA-N	307.394	1.925	50	20	DDGD	
CO[C@@H]1CCN(CC(=O)NNC(=O)c2cccc(C)c2)C[C@H]1C	831535696	XYWCCFQFNVHSHW-UKRRQHHQSA-N	319.405	1.113	50	20	DDGD	
CC(C)[C@@]1(C)C[C@H]1NC(=O)NNc1ccc(-n2cccn2)nn1	838768226	ZIWCTANBLZZREN-IAQYHMDHSA-N	315.381	1.723	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNC(=O)CCCc1ccccc1	839641908	YERHTNHKJGGJPO-CQSZACIVSA-N	320.389	1.746	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cc2cn(C)nc2C)c(F)c1	837206490	MTQIFYJUSPDNHW-UHFFFAOYSA-N	320.324	1.340	50	20	DDGD	
Cc1cnccc1OC1CCN(S(=O)(=O)CCl)CC1	831299220	NOIIQSXQPWFOKD-UHFFFAOYSA-N	304.799	1.759	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1CC12CCCC2	747301266	HIMASHNJZJJUME-ZDUSSCGKSA-N	302.374	1.965	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	843654555	RTNJATMQUNBHHZ-UWVGGRQHSA-N	307.306	1.089	50	20	DDGD	
C[C@H]1CC[C@H](CC(=O)NNc2ccccc2S(N)(=O)=O)C1	842261841	OQINRQBNQUHYTI-QWRGUYRKSA-N	311.407	1.603	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=S)NCC2CC2)c1	849251699	NWOUYCMRIGHZJN-UHFFFAOYSA-N	307.419	1.588	50	20	DDGD	
C[C@H](Cc1cccc(O)c1)NC(=O)NNC(=O)CC(F)(F)F	919784602	UGSRYSJWSQNLOG-MRVPVSSYSA-N	319.283	1.606	50	20	DDGD	
COC/C(C)=C\C(=O)NNc1ccnc(Br)c1	845951314	TUSZOWKSERJJPH-YVMONPNESA-N	300.156	1.880	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC2(CC1)CC2(F)F	846718503	PDKOVAANTFNSHP-NXEZZACHSA-N	317.336	1.273	50	20	DDGD	
N[C@@H]1CCCN(C(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)C1	846661733	FPQLCLYBQZEEBN-SRRSOLGSSA-N	301.228	1.890	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccc(C(N)=O)s2)o1	749941622	JTUJSRUDHARXPE-UHFFFAOYSA-N	319.346	1.587	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(O)cc(Br)c1	910184429	QWNSULUWCPKDRG-ZETCQYMHSA-N	303.156	1.112	50	20	DDGD	
CCCC[C@H](CN)NC(=O)NNC(=O)c1ccc(CC)cc1	841957994	CVUDRCBDWQTFTH-CQSZACIVSA-N	306.410	1.711	50	20	DDGD	
NNC(=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1	916665648	VEWVBICULGNGDC-FMIVXFBMSA-N	312.358	1.390	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccoc1Br	843657764	RUSKMTFRWKLANM-RQJHMYQMSA-N	317.139	1.228	50	20	DDGD	
Cc1cc(C=NNC(=O)C(C)C)c(C)n1CCN1CCOCC1	915948072	MXKLOEDFVAUGJP-UHFFFAOYSA-N	320.437	1.543	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@@H]1C1CCCCC1)c1ncccn1	841594675	YEUGNDRREAZCHA-CYBMUJFWSA-N	317.393	1.876	50	20	DDGD	
CCCNC(=O)NN=C(C)c1ccc(S(C)(=O)=O)c(F)c1	741762602	PFLLDKROPOGLNO-UHFFFAOYSA-N	315.370	1.662	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)[C@@H](C#N)CC)cc1OC	845086948	INIPRCPUWWFTDT-LLVKDONJSA-N	319.361	1.795	50	20	DDGD	
O=C(NCCCNC1CC1)NNC(=O)c1ccc(Cl)cc1	841918066	ALBBPJLBHSBTMZ-UHFFFAOYSA-N	310.785	1.426	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1c(Cl)nc2sccn12	741848325	SKBBFQXXWRZDNO-UHFFFAOYSA-N	320.765	1.993	50	20	DDGD	
NC[C@H]1CC[C@H](NC(=O)NNC(=O)c2cc3ccccc3o2)C1	842011390	UEOURBOPTOJKQJ-JQWIXIFHSA-N	316.361	1.504	50	20	DDGD	
COC[C@@H](C)NC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	742710682	OABLJNBCWQXPSM-SNVBAGLBSA-N	309.370	1.123	50	20	DDGD	
Cn1cc(/C=C\C(=O)NNC(=O)c2ccc(Cl)cc2F)cn1	747329784	QZKFWCZJXUIOLQ-DJWKRKHSSA-N	322.727	1.687	50	20	DDGD	
CC(C)CNC(=S)NNC(=O)[C@H](C)CN1CCC(C)CC1	916118034	YOWKFDQAJXZTGX-CYBMUJFWSA-N	314.499	1.506	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H](CC(C)C)OC	842223748	PBMIEMIEWYQQSY-OAHLLOKOSA-N	322.405	1.836	50	20	DDGD	
CC(C)COc1ccccc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843651786	OUNVSNDJWIZZNF-CHWSQXEVSA-N	320.389	1.907	50	20	DDGD	
CCC(CC)(CO)C(=O)NNC(=O)c1ccc(OC)cc1OC	847453004	YGHHZWWGZQFAPC-UHFFFAOYSA-N	324.377	1.264	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C(C)c1cnn(C)c1	920824828	AXRNPQKEMLMAFK-UHFFFAOYSA-N	301.350	1.381	50	20	DDGD	
Cn1cc(C=NNC(=O)c2ccc(O)cc2)c(-c2cccnc2)n1	920358377	QNKOIOCMMMLJSW-UHFFFAOYSA-N	321.340	1.952	50	20	DDGD	
CC(C)(C)C[C@@H]1C[C@H]1C(=O)NNC(=O)C(=O)Nc1ccccn1	843822494	FQRNXCMZAVPGKV-WDEREUQCSA-N	318.377	1.240	50	20	DDGD	
C[C@H](OCC1CC1)C(=O)NNC(=O)COc1ccc(F)cc1	920772955	JLZLVQWIEQGIGU-JTQLQIEISA-N	310.325	1.167	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)OC(C)C)ccc1C(=O)O	842590471	PTKNXARBWHHCLR-UHFFFAOYSA-N	316.335	1.021	50	20	DDGD	
O=C(CCn1ccnc1)NNC(=O)Cc1c[nH]c2ccccc12	920675057	VCQMCMJYVYEEMY-UHFFFAOYSA-N	311.345	1.145	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1cnccc1C(F)(F)F	852086555	UZXXVLSNXFUOKY-UHFFFAOYSA-N	318.299	1.977	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(C(=O)C(CC)CC)CC1	856509668	YTVOKKOFDIOTBI-WYMLVPIESA-N	307.394	1.537	50	20	DDGD	
C[C@]1(CNC(=O)NCCOCC(F)F)C[C@@H]1Br	856851117	AVYJBYGALNWLJL-OIBJUYFYSA-N	315.158	1.741	50	20	DDGD	
CC(C)(CCC(=O)NNC(=O)c1cccc(Cl)n1)[N+](=O)[O-]	857325107	SLOILZXDOAFCHM-UHFFFAOYSA-N	314.729	1.332	50	20	DDGD	
C[C@H]1[C@H](C)CCC[C@H]1NC(=O)NNC(=O)c1cccc(F)n1	853227612	RFWWTVUFVZVJDZ-OUAUKWLOSA-N	308.357	1.989	50	20	DDGD	
C[C@@H]1C(=O)N(C[C@@]2(C)C[C@@H]2Br)C(=O)N1C1CC1	857227616	QUSNRJJSSNABMZ-VFWDIBGWSA-N	301.184	1.975	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2c(C3CC3)cnn2C)n1	853284296	WXHDYUUPFWOWED-UHFFFAOYSA-N	303.391	1.755	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCCCO[C@H]1CCOC1	853848095	OCLXFQKACBQSEY-ZDUSSCGKSA-N	311.357	1.956	50	20	DDGD	
C[C@@]1(CNC(=O)NCC2CCOCC2)C[C@@H]1Br	856838732	HVQNQUQPLXOVME-JQWIXIFHSA-N	305.216	1.886	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccc(Cl)cc1F)S(C)(=O)=O	921641970	WRHKNDXPBQFXAZ-ZETCQYMHSA-N	323.777	1.538	50	20	DDGD	
CN1CC[C@@H](C(=O)NNC(=O)Cc2cccnc2)c2ccccc21	750776916	ZQFSCGPVNGDDHI-OAHLLOKOSA-N	324.384	1.395	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCc2c(Cl)cccc21	921256288	PIIWDXREOGGADR-UHFFFAOYSA-N	305.765	1.729	50	20	DDGD	
Cn1nc(C(=O)NNc2ccc(C#N)c(Cl)c2)ccc1=O	753303380	VDLHMFRAIOYVHK-UHFFFAOYSA-N	303.709	1.062	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2ccccc2OCC(=O)O)o1	752173813	GVIXVRSMZDXXEJ-UHFFFAOYSA-N	302.286	1.815	50	20	DDGD	
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NNC(=O)c1cc(C)cs1	858418514	MVGPPOVPKIKYKE-DGCLKSJQSA-N	323.418	1.982	50	20	DDGD	
CCOC(=O)NNC(=O)c1cccn2cc(C(F)(F)F)nc12	854162984	DKPDSNFMHRGGDN-UHFFFAOYSA-N	316.239	1.744	50	20	DDGD	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NNC(=O)NC1CC1	920823228	GZYBUQKXHXPTPG-BNOWGMLFSA-N	311.426	1.957	50	20	DDGD	
CCC[C@H](CNC(=O)NNC(=O)Cc1cccnc1)OCC	858189857	UWKSYSXPPVLXAV-CYBMUJFWSA-N	308.382	1.160	50	20	DDGD	
CN1CCCC[C@@H](CNC(=O)NNC(=O)c2ccccc2F)C1	858405577	JIUHHFLJQAGTPM-LBPRGKRZSA-N	322.384	1.502	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)/C(C)=C/C(C)(C)C	854283601	CDEBFWQCWMTZDC-ZHACJKMWSA-N	301.456	1.853	50	20	DDGD	
O=C(NCCO[C@H]1CCOC1)NNc1cc(F)ccc1F	927526191	LGJVKMIFWBQUFD-JTQLQIEISA-N	301.293	1.396	50	20	DDGD	
CCOC(=O)[C@H](C)N(CCI)C1CC1	759557546	KPYRIPLWSCMSCM-QMMMGPOBSA-N	311.163	1.837	50	20	DDGD	
CCC(=O)N1CC[C@H](NC(=O)NNc2ccc(Cl)cn2)C1	852208439	IFNZKAAMQLBNDO-JTQLQIEISA-N	311.773	1.372	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc(CC#N)cc1	854283138	JFJZJQJZHBMKAB-UHFFFAOYSA-N	320.418	1.240	50	20	DDGD	
C[C@H]1CC(=NNC(=O)Cc2ccccc2O)CC[C@H]1C(=O)O	853401104	VUNCPWHPEIOMBN-GXFFZTMASA-N	304.346	1.928	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2C[C@H]3CC[C@H]2NC3)C[C@@H]1Br	857007793	UXZHQDUJDFTGDE-ZZBQETCWSA-N	301.228	1.664	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)CC(F)(F)F)c1Cl	855000675	MONVQCRHFTVTMS-UHFFFAOYSA-N	312.679	1.578	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1	755268092	BPKAYTGLXFIURU-UHFFFAOYSA-N	302.334	1.201	50	20	DDGD	
COc1ccc(NNC(=O)NCc2c(C3CC3)cnn2C)nc1	852577300	CPXIJKSDFRAIQT-UHFFFAOYSA-N	316.365	1.527	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccccc1-n1nc(C)nc1C	757712402	ZSLQHWODGQNKCH-UHFFFAOYSA-N	302.338	1.447	50	20	DDGD	
CC[C@](C)(NC(=O)NNC(=O)Cc1cccnc1)C(F)(F)F	933515618	KCEVZZRLHBRCAT-LBPRGKRZSA-N	318.299	1.686	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]c1=S)[C@H]1COCCO1	862291190	GOKDWRNVKCZYKI-SNVBAGLBSA-N	306.347	1.151	50	20	DDGD	
CC(C)N1CC[C@@H](NC(=O)[C@@H](Br)C(C)(C)C)C1=O	768149057	VBDJLCCBBHDIGJ-NXEZZACHSA-N	319.243	1.922	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21)C1CC1	862150667	XACGAHLDXZIPFQ-PSQHIMEXSA-N	315.442	1.866	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)C2(C#N)CCOCC2)c1	768702966	MSBATJPQWWOYOI-UHFFFAOYSA-N	305.725	1.370	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1c[nH]c2cccc(F)c12	763354405	JFRGAVHZPXZWIP-UHFFFAOYSA-N	302.309	1.380	50	20	DDGD	
CSc1ccccc1CC(=O)NNC(=O)Cc1cc(C)[nH]n1	869014207	FACCJXGPUCDLAG-UHFFFAOYSA-N	318.402	1.373	50	20	DDGD	
Cn1ccc(C(=O)NNC(=O)NCc2ccc(Cl)cc2)c1	763759646	AYYQSOYVSGWUFV-UHFFFAOYSA-N	306.753	1.823	50	20	DDGD	
O=C(Cc1cnn2ccccc12)NNCC(F)(F)C(F)(F)F	863101787	HRZMZFORUKZAIO-UHFFFAOYSA-N	322.237	1.695	50	20	DDGD	
Cc1cc(=NNC(=O)CCCCNC(=O)OC(C)(C)C)cc[nH]1	862514543	QDBSHNZXBBTTGJ-UHFFFAOYSA-N	322.409	1.950	50	20	DDGD	
Cc1cccc(C)c1OCC(=O)NNC(=O)c1cccc(F)n1	763356150	ODUATUWATDWYGP-UHFFFAOYSA-N	317.320	1.678	50	20	DDGD	
N#CCOc1cccc(CC(=O)NNC(=O)CC(F)(F)F)c1	760376343	MGFGKWSUYOSMGS-UHFFFAOYSA-N	315.251	1.231	50	20	DDGD	
COCCOCC(=O)NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	869907970	GZXXGCUINZXREJ-MELADBBJSA-N	312.410	1.403	50	20	DDGD	
CC(Cc1ccncc1)=NNC(=O)CNC(=O)c1cccs1	767783790	XTQZKEDHPCTPKN-UHFFFAOYSA-N	316.386	1.608	50	20	DDGD	
COC(=O)NNC(=O)Cc1cccc(C)c1Br	863854429	OUEAJBNVOIAEGB-UHFFFAOYSA-N	301.140	1.687	50	20	DDGD	
CNC(=O)[C@]1(C)CCN(S(=O)(=O)CC(C)(C)CCl)C1	867219982	YVRVSIUJYUDBBF-GFCCVEGCSA-N	310.847	1.039	50	20	DDGD	
COCc1ccc(C(=O)NNC(=O)NC2CCCC2)cc1F	865038763	YGINNEUKDPOWPR-UHFFFAOYSA-N	309.341	1.859	50	20	DDGD	
Cc1cccc(CO[C@H](C)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	869067873	JEUQYZRUTAPZMR-GZBFAFLISA-N	320.389	1.473	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H](C)OC[C@H]2CCCO2)c1	862477708	MUQAHVKIPVJFHG-GHMZBOCLSA-N	312.391	1.402	50	20	DDGD	
O=C(C[C@@H]1C=CS(=O)(=O)C1)NNc1cccc(F)c1Cl	862506498	ZUTCFYTUDDEGAP-QMMMGPOBSA-N	318.757	1.871	50	20	DDGD	
CC1(C)C(=O)Nc2ccc(C(=O)NNC(=O)c3ccccn3)cc21	768903879	PBEHIRFIXLHQJR-UHFFFAOYSA-N	324.340	1.386	50	20	DDGD	
N#C/C(=C/c1cn(C[C@@H]2CCCO2)nn1)C(=O)[C@@H]1CCCOC1	865223707	KYFDHIFWUHAUKQ-VIOZHWCHSA-N	316.361	1.360	50	20	DDGD	
Cn1c(CC(=O)NN=Cc2cccnc2N)nc2ccccc21	764667591	QGBUOEWXKGEJNY-UHFFFAOYSA-N	308.345	1.243	50	20	DDGD	
CCCC[C@@H](NS(=O)(=O)CC(C)(C)CCl)C(=O)OC	867107955	VPVSWRJSJUUAOS-SNVBAGLBSA-N	313.847	1.903	50	20	DDGD	
Cn1c(=NNC(=O)[C@@]2(O)CCSC2)sc2ccccc21	765591360	LDTXRRZFYMMXRP-CYBMUJFWSA-N	309.416	1.040	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)[C@]1(F)CCOC1	1117396085	FHLFFJNANNHQNJ-NSHDSACASA-N	303.677	1.820	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@@H]2CCC(=O)N2)cc1C(C)(C)C	872391829	BGQQLPFHUWHPMY-ZDUSSCGKSA-N	317.389	1.721	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1F)[C@@H]1CCCS(=O)(=O)C1	871271438	OWIZMBSGTJYYGA-MRVPVSSYSA-N	320.773	1.747	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1ccc(OC(F)F)cn1	775215185	XYBAOKZWLULWIL-UHFFFAOYSA-N	316.308	1.560	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N(C2CC2)C2CC2)C[C@H]1Br	1118836094	CGHSFDQCMMVORZ-ZWNOBZJWSA-N	315.211	1.430	50	20	DDGD	
O=C(CCCOC1CCOCC1)NNC(=O)CC1CCCC1	878576886	DDMASKWTKIGOAZ-UHFFFAOYSA-N	312.410	1.690	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccc(C(N)=O)s1	772877190	NJXSIUKWYDSFGI-UHFFFAOYSA-N	305.363	1.517	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)c1cnccc1C	771562971	ICKNIXYZYROSES-UHFFFAOYSA-N	316.386	1.722	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H](C)OCC2CC2)nc1C	778424797	AEBXGERSCXZUHF-SNVBAGLBSA-N	322.365	1.220	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc[nH]1	875707252	ONWLHIVTAXFBPK-HUUCEWRRSA-N	303.410	1.455	50	20	DDGD	
O=C(NNc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1	770203891	WUJTXBGKGAHWSB-ZETCQYMHSA-N	306.746	1.357	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)N1CCN(C)CC1)c1ccc(F)cc1	773656036	AOLYOSRJYIJNGF-VAWYXSNFSA-N	320.368	1.217	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccn(Cc2ccccc2)n1	772139336	KQBSUNSNIODCCA-UHFFFAOYSA-N	312.373	1.883	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)Cc1ccccc1CO	779768991	NEPCKRYDYBKQAB-UHFFFAOYSA-N	316.332	1.251	50	20	DDGD	
C[C@@H](CCc1ccc(F)cc1)C(=O)NNC(=O)C1CCOCC1	883072503	OIYAFJOERWUCCQ-LBPRGKRZSA-N	322.380	1.968	50	20	DDGD	
Cc1c(NNC(=O)NCc2cccnn2)cccc1[N+](=O)[O-]	775037422	LVANNUZUHCVBMD-UHFFFAOYSA-N	302.294	1.520	50	20	DDGD	
Cc1oc(C)c(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)c1C	771968904	YVCHJZPQHGHWQL-GFCCVEGCSA-N	324.377	1.944	50	20	DDGD	
Cc1nc2cc(NC(=O)NNC(=O)CN(C)C)ccc2s1	775724372	ZFNUMGTYIJDTSP-UHFFFAOYSA-N	307.379	1.319	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1ccc(F)c(F)c1C	1121105172	UAWKUVIMXNDFPM-UHFFFAOYSA-N	323.299	1.163	50	20	DDGD	
COc1nc(C)ccc1C(=O)NNC(=O)c1ccc(C#N)cc1	777375760	CYICFIFSPRMRLZ-UHFFFAOYSA-N	310.313	1.345	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)Cc1cc(C)[nH]n1	773624776	DYWGZRQCQUROBC-UHFFFAOYSA-N	306.297	1.330	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1CNS(=O)(=O)CCCCl	881803139	MCSFLQXUDFZLOM-UHFFFAOYSA-N	322.770	1.652	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC[C@@H]2C=CCC2)cc1	883833140	VMWJZFOSHRGHDJ-CYBMUJFWSA-N	303.362	1.670	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCCOC[C@H]1CCOC1	787341984	ZDKIPLBUZKDMIF-BUYRESAOSA-N	316.357	1.468	50	20	DDGD	
C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)CCCCCl	780835475	QHMFOTZCMIZDTR-GFCCVEGCSA-N	310.891	1.997	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(Cl)c(F)c1)c1nnnn1C	1123641646	MTSQXJQCRSBTNU-LURJTMIESA-N	313.724	1.390	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(-c2cn[nH]c2)cc1	1123906064	VCKAFWASVPTLFX-QMTHXVAHSA-N	314.345	1.263	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1F)[C@H]1CCCS1(=O)=O	885106612	CNIKBSQESRPNLJ-SNVBAGLBSA-N	306.746	1.499	50	20	DDGD	
CCOC(CCNC(=O)NNC(=O)C1CCCC1)OCC	786907596	KBOSDGATLMEQPQ-UHFFFAOYSA-N	301.387	1.296	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(OC(F)F)c(OC)c1	880141056	QQWFJTABWHENOO-UHFFFAOYSA-N	319.308	1.911	50	20	DDGD	
Cc1ccc([C@@H](C)NC(=O)NNC(=O)C2CCOCC2)cc1	883159309	GQQOLBYRIRRFQN-GFCCVEGCSA-N	305.378	1.813	50	20	DDGD	
O=C(CSc1nnc2ccccn12)NNC(=O)C1CCCC1	782569066	ARVWUFMMBPCGCC-UHFFFAOYSA-N	319.390	1.159	50	20	DDGD	
CCOC(=O)[C@](C)(NS(=O)(=O)CCl)c1ccccc1	885845258	HNBGJDRWRRDLNG-GFCCVEGCSA-N	305.783	1.581	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)NC(C1CCC1)C1CCC1	883643698	RSOXZRXMDUTRAF-UHFFFAOYSA-N	303.366	1.389	50	20	DDGD	
CCS[C@@H]1CCCC[C@@H]1N[C@@H](C)C(=O)NNC(=O)CC	787305599	JTAKGXCDALHKEC-SDDRHHMPSA-N	301.456	1.586	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1cccn1-c1ccc([N+](=O)[O-])cc1	785461615	NLJNCXMVVMLTNQ-UHFFFAOYSA-N	316.317	1.607	50	20	DDGD	
Cc1ccnc(-n2nc(C)cc2NC(=O)NN=c2cc[nH]cc2)c1	786073605	MLKUOHBBKUHICG-UHFFFAOYSA-N	323.360	1.850	50	20	DDGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cccn2c(O)nnc12	780993592	OLIZVZUTVPYEAG-UHFFFAOYSA-N	321.699	1.984	50	20	DDGD	
Cc1cc(NNC(=O)c2cn(CC(F)F)nc2C)nc(C)n1	895154096	POGAIDLUTXHYRM-UHFFFAOYSA-N	310.308	1.620	50	20	DDGD	
COC(=O)COc1ccc(C=NNC(=O)C(C)C)cc1[N+](=O)[O-]	788705736	ZQDHNFQHDIJHOX-UHFFFAOYSA-N	323.305	1.253	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)[C@H](O)C1CCCCC1	783510786	CWQSVWWSPSSAGM-OAHLLOKOSA-N	324.352	1.293	50	20	DDGD	
C[C@H](NC(=O)CCC(=O)NNc1ccncn1)c1ccccc1	897884596	ZKGNILRFIDLSSU-LBPRGKRZSA-N	313.361	1.577	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2c(F)cc(F)cc2F)C(=O)O1	896384409	ZELBRMGDKBMIJG-MLUIRONXSA-N	303.240	1.434	50	20	DDGD	
O=C(CCc1cnccn1)NNC(=O)Cc1c[nH]c2ccccc12	792807606	AVZHSIHXDMIOSB-UHFFFAOYSA-N	323.356	1.281	50	20	DDGD	
CC[C@@H](C)CC[C@H](O)CC(=O)NNC(=O)Cc1ccncc1	793600258	BNNKBSBKLWDXGF-OCCSQVGLSA-N	307.394	1.349	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccnnc2)c2ccccc2n1	799007557	CWUZITCIIDPRCT-UHFFFAOYSA-N	307.313	1.408	50	20	DDGD	
O=C(NN=C1c2ccccc2CC12CCOCC2)c1cnccn1	794887603	HLMZXLRXBPIAQA-UHFFFAOYSA-N	322.368	1.964	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NNc2ncccc2C)n1	793221563	XCPWRIBKLIKCFB-UHFFFAOYSA-N	300.322	1.065	50	20	DDGD	
O=C(O)Cn1cc(C=NNC(=O)NCC2CC2)c2ccccc21	799876965	HORAPMVEGWBSBI-UHFFFAOYSA-N	314.345	1.769	50	20	DDGD	
C=C(CBr)COC(=O)[C@H]1CCCCN1C(C)=O	795567071	NXGQLGDKLUEKGM-LLVKDONJSA-N	304.184	1.882	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCOC(C)(C)[C@@H]2C)n1	793227310	BGIXAXUEZSASPV-NSHDSACASA-N	306.366	1.244	50	20	DDGD	
O=C(/C=C\c1ccco1)NNC(=O)c1cncn1-c1ccccc1	1317711572	AESGOWSCOGRPEY-HJWRWDBZSA-N	322.324	1.940	50	20	DDGD	
CN(CC(=O)NNc1ccnc(N(C)C)n1)Cc1ccccc1	1318648734	LUJWCYGBKNTRAG-UHFFFAOYSA-N	314.393	1.118	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2cnn3ccncc23)o1	1256332954	YIXWBVBEWAGIDL-UHFFFAOYSA-N	311.305	1.469	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)CCCCNC(N)=O)nn1	1339253813	VZAHUSIRVOBOQK-UHFFFAOYSA-N	308.386	1.056	50	20	DDGD	
Cc1nn(C)cc1CCC(=O)NNC(=O)NC1CCCCC1	1339125227	JAXOVPFSLNRDFR-UHFFFAOYSA-N	307.398	1.324	50	20	DDGD	
CC1=NO[C@](C)(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)C1	1337249835	GVTDBRMSLMCMHS-HNNXBMFYSA-N	319.365	1.778	50	20	DDGD	
Cn1cc(CCC(=O)NNc2cncc(Br)c2)cn1	1335933515	ATDSSOLRGWYEJL-UHFFFAOYSA-N	324.182	1.654	50	20	DDGD	
O=C(NNc1ccccc1F)C(=O)Nc1cnn(C2CCC2)c1	1262700349	DOKNFHAWWOFESW-UHFFFAOYSA-N	317.324	1.829	50	20	DDGD	
C[C@@]1(CNC(=O)c2cnn3c2NCCC3)C[C@@H]1Br	1352453180	XRHWHKHNYWAVTN-CABZTGNLSA-N	313.199	1.602	50	20	DDGD	
CC1=NO[C@](C)(C(=O)NNc2cncc(Br)c2)C1	1353621394	UPWMPROAEZKOFJ-NSHDSACASA-N	313.155	1.842	50	20	DDGD	
CC[C@]1(C)NC(=O)N(NC(=O)C2CCC(Cl)CC2)C1=O	1520146289	MCPXRSCEWKEZQE-RPTIHFLNSA-N	301.774	1.536	50	20	DDGD	
COc1ccc(NNC(=O)c2cccc(-c3nn[nH]n3)c2)nc1	1605301147	LNOLJXGXSBRVPQ-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
Cc1cccnc1NNC(=O)c1ncc(-c2nn[nH]n2)cc1C	1609437686	TZGBFHHJCBXMGM-UHFFFAOYSA-N	310.321	1.030	50	20	DDGD	
O=C(O)CC[C@@H]1C[C@H](C(=O)NNc2cccnc2Cl)CO1	1606111885	PSZHQBUVVRXZKE-DTWKUNHWSA-N	313.741	1.448	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1F)c1ccnc(C(=O)O)c1	1608481999	TVSNDSZZRQTBDV-UHFFFAOYSA-N	311.219	1.954	50	20	DDGD	
O=C(O)CC[C@@H]1CC[C@H](C(=O)NNc2cc(F)ccc2F)O1	1602036402	SKJQVDBWVUMEOT-JOYOIKCWSA-N	314.288	1.820	50	20	DDGD	
O=C(O)CCN1CCC(=NNC(=O)Cc2ccccc2F)CC1	1602009801	PESDMEBNQUAXES-UHFFFAOYSA-N	321.352	1.411	50	20	DDGD	
O=C(O)CNC(=O)NN=C1CCCCc2cc(C(=O)O)ccc21	1602071213	HNLMKHDESBRCLX-UHFFFAOYSA-N	319.317	1.199	50	20	DDGD	
Cc1c(NNC(=O)C[C@H]2C=CS(=O)(=O)C2)cccc1C(=O)O	1607553632	XNNYJCPICBVVQM-SNVBAGLBSA-N	324.358	1.085	50	20	DDGD	
C=C[C@H](NNC(=O)COc1ccc(C(C)(C)C)cc1)C(=O)O	1609272239	LFJOQQMQKXJCGL-ZDUSSCGKSA-N	306.362	1.623	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)C1(C(=O)C2CC2)CC1	1602231314	XEZNCOCQZUCKMG-UHFFFAOYSA-N	306.293	1.726	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2cccc(C(=O)O)c2)c2ncnn21	1604676114	KAJHOKTYBWWBIQ-KCJUWKMLSA-N	316.321	1.308	50	20	DDGD	
O=C(O)c1cc(NNC(=O)c2cnn3cccnc23)ccc1F	1602287764	ZTKYFAFJFSKKGI-UHFFFAOYSA-N	315.264	1.324	50	20	DDGD	
C[C@H](CN1CCCC1=O)NC(=O)NNc1cccc(C(=O)O)c1	1609742860	USMFBSCRSADWBA-SNVBAGLBSA-N	320.349	1.022	50	20	DDGD	
CSSCCNC(=O)c1cc(O)cc(-c2nn[nH]n2)c1	1605381452	VHVDUYOIZRGHEH-UHFFFAOYSA-N	311.392	1.313	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1cc(C)oc1C	1549316435	RXVMPBLODKQXNL-ZFWWWQNUSA-N	305.378	1.600	50	20	DDGD	
O=C(NNC(=O)C12CC(C(=O)O)(C1)C2)c1cc(Cl)ccc1O	1610700305	PLQZVFDHYBXRIQ-UHFFFAOYSA-N	324.720	1.062	50	20	DDGD	
CC(C)(C)N1CCC(=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)CC1	1549317966	OAAHRKRDIHWKSR-GJZGRUSLSA-N	322.453	1.216	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@H]1C=NNC(=O)c1ccnnc1	1552453165	JQWYJDAFPIRKCG-AAEUAGOBSA-N	314.349	1.094	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H]1C[C@@]12CCCNC2	1579180785	RLWFEPCPLDGKNN-XHDPSFHLSA-N	306.318	1.899	50	20	DDGD	
C=C(CCC(=O)O)C(=O)NNC(=O)c1ccc2ccccc2n1	1588630500	OEYQJATVRYJCSK-UHFFFAOYSA-N	313.313	1.417	50	20	DDGD	
NC[C@H]1C[C@H](NC(=O)[C@]2(c3ccccc3)C[C@@H]2Br)C1	1580332562	HZEWSUAOLPVEOK-NHULGOKLSA-N	323.234	1.945	50	20	DDGD	
N[C@H](CNC(=O)NNc1ncc(Cl)cn1)c1ccccc1	1580130628	ZVKYJUPHMRFKBV-LLVKDONJSA-N	306.757	1.456	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2ccn(C)n2)C1	1842467770	IBKLZUNEIVVVQX-NSHDSACASA-N	324.812	1.255	50	20	DDGD	
O=C(NNC(=O)c1cccc2c1CCN2)c1cccc(Cl)n1	1580737321	OFVNCNGGVSMUAT-UHFFFAOYSA-N	316.748	1.778	50	20	DDGD	
C=C(CC(C)C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1588442554	PECSEBORGUQVPT-UHFFFAOYSA-N	314.349	1.230	50	20	DDGD	
CO/C(=C/c1ccccc1)C(=O)NNc1ccc(C(=O)O)cn1	1598685421	WKYRQOVPDNGXEG-UKTHLTGXSA-N	313.313	1.910	50	20	DDGD	
Cc1c(C(=O)NNc2ccc(F)cn2)cccc1-c1nn[nH]n1	1591809501	FZPUWVSVNVRFPI-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
COc1ccc(C)nc1NC(=O)NNc1ncccc1C(=O)O	1594084536	XCWWZMMPXJLQDA-UHFFFAOYSA-N	317.305	1.640	50	20	DDGD	
O=C(CCCC(=O)C1CC1)NNc1cccc(-c2nn[nH]n2)c1	1592833860	LUXCSNSBUGSGEE-UHFFFAOYSA-N	314.349	1.459	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@H]1CC[C@@H](CC(=O)O)C1	1590232144	DKOGLRWTDRIZQL-BDAKNGLRSA-N	301.343	1.369	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)C1=C(C)OCCC1	1599376233	NOZUAKLATZUSRI-UHFFFAOYSA-N	306.318	1.921	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H]1C(=O)NNc1ccc(C(F)(F)F)cn1	1595181746	VHBPGSYBFRLLSB-HTQZYQBOSA-N	303.240	1.654	50	20	DDGD	
CC[C@@H]1[C@@H](C(=O)NNc2ccc(C(=O)O)c(F)c2)CCN1C	1597308810	FZIWFMQCMJNJFO-WCQYABFASA-N	309.341	1.697	50	20	DDGD	
CCN(CCO)NC(=O)c1ccccc1S[C@H](C)C(=O)O	1596340451	GYPGLEAZSHCEJD-SNVBAGLBSA-N	312.391	1.211	50	20	DDGD	
N#C/C(=C\c1ccc(=O)[nH]c1)C(=O)Nc1ccc(C(=O)O)cc1	1776130428	NZMARVXZTJGPPA-KPKJPENVSA-N	309.281	1.619	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)=O)C2	1793680309	RUTLXKXUZKEVRK-RNJOBUHISA-N	314.813	1.621	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2ccoc2C)c1	15894095	LCADDKPGOKSLFR-UHFFFAOYSA-N	304.302	1.680	50	20	DDGD	
Cc1cc(O)cc(=O)n1CC(=O)NNc1ccccc1Cl	158259820	OPBDFTAZTFXBDQ-UHFFFAOYSA-N	307.737	1.659	50	20	DDGD	
N#Cc1ccc(NNC(=O)CNC(=O)NC2CCCCC2)cc1	155293586	ABDWKTSDUZFFAU-UHFFFAOYSA-N	315.377	1.633	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc(F)c(C(F)(F)F)c1	155917877	RFFYQNOHOFIVNQ-UHFFFAOYSA-N	322.262	1.559	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCO[C@H](C(F)(F)F)C1	866851800	ATXCQVAICZRHAD-QMMMGPOBSA-N	323.764	1.844	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1CCCN(S(=O)(=O)CCl)C1	830151026	RDSOYLULZDWCLH-VIFPVBQESA-N	312.819	1.502	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CCc1ccc(C#N)cc1	28716892	HYOVLVSCUZUXEG-UHFFFAOYSA-N	304.419	1.785	50	20	DDGD	
CCC1(C(=O)NNC(=O)CNc2ccccc2OC)CCC1	175874520	FGRHKGZFCCPYJV-UHFFFAOYSA-N	305.378	1.835	50	20	DDGD	
O=C(NNC(=O)c1csc(-c2ccoc2)n1)c1ccncc1	108252439	UXYRNLRBKJALGC-UHFFFAOYSA-N	314.326	1.873	50	20	DDGD	
CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NNc1cnccn1	114877361	AUYITVRPKSCCLR-GFCCVEGCSA-N	319.390	1.436	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)c1ccc(C#N)cc1	112885743	XMUDJVHKOLHLOT-DOMZBBRYSA-N	315.373	1.915	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCO[C@H](c2ccccc2)C1	111198597	YUAZVNUHQJBBTO-JSGCOSHPSA-N	305.378	1.006	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCc1cnn(C)c1)c1ccccc1	110340163	VEJSBWNEODRXOQ-HNNXBMFYSA-N	314.389	1.694	50	20	DDGD	
CC[C@H]1CN(CC(=O)NNC(=O)c2cccs2)C[C@H](C)O1	111273950	VGUYORYEOHFBMJ-QWRGUYRKSA-N	311.407	1.008	50	20	DDGD	
CN(C)N(C(=O)CC1(C)CCCCC1)[C@H]1CCS(=O)(=O)C1	119247159	CFWAXGSRKQMZSA-ZDUSSCGKSA-N	316.467	1.839	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)CC1CCOCC1	117231677	CDPHHDDQOCIAIC-UHFFFAOYSA-N	310.325	1.169	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNc2ncnc3nc[nH]c23)s1	172644071	PKHQSLJLTNWHLA-UHFFFAOYSA-N	317.378	1.827	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc(-n3cccn3)n2)o1	175829002	ADSSFDICTFQNDU-UHFFFAOYSA-N	311.301	1.244	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@@H](C)C[S@@](C)=O	183580466	MQZIHKYVAXNPOE-CHNSCGDPSA-N	312.395	1.098	50	20	DDGD	
CC[C@@H](C)[C@@H](C)NCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	183087933	STEZHWFCEYTSOK-GHMZBOCLSA-N	322.365	1.380	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NNC(=O)c1cc(-c2ccccc2)on1	79391543	FIDAQDZPRXTMEW-BXUZGUMPSA-N	315.329	1.528	50	20	DDGD	
COc1ccc(NNC(=O)Nc2cnn(CC(F)F)c2)nc1	122081249	XGFRXRUCGPZSMB-UHFFFAOYSA-N	312.280	1.700	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H](O)c2ccccc2)cc1	39988798	QSFBNZBKJSWNLF-INIZCTEOSA-N	314.341	1.255	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2csnc2C)n1	183235524	CFNGHGHLLSLMGI-UHFFFAOYSA-N	306.395	1.845	50	20	DDGD	
CCCN(CCC)C(=O)CCC(=O)NNc1cc(C)nc(C)n1	128921257	QJMKIPYUQPTUKN-UHFFFAOYSA-N	321.425	1.965	50	20	DDGD	
Cc1ccc(C[C@@H](C)C(=O)NNC(=O)c2cc(C)n[nH]2)cc1	181339600	MYTMMCFDIFOPSS-LLVKDONJSA-N	300.362	1.666	50	20	DDGD	
C[C@@H]1CN(CCC(=O)NNC(=O)CCC(C)(C)C)C[C@@H](C)O1	130218128	OUUTWPVKKCXSRB-CHWSQXEVSA-N	313.442	1.459	50	20	DDGD	
COc1nccnc1NNC(=O)Cc1ccc(OC(F)F)cc1	131750241	BORCHCZCWQPUDJ-UHFFFAOYSA-N	324.287	1.772	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1cccc(C(F)(F)F)c1	41962041	SHOITHWRITUNCC-UHFFFAOYSA-N	317.336	1.929	50	20	DDGD	
COc1ccc(CCNC(=O)/C(C#N)=C\c2ccnn2C)cc1	45111193	SRSYJEVWWTWIOL-KAMYIIQDSA-N	310.357	1.695	50	20	DDGD	
Cc1c(C(=O)NNC(=O)Cc2ccncc2)cccc1[N+](=O)[O-]	81027385	GCUJEAZWZGGTKZ-UHFFFAOYSA-N	314.301	1.302	50	20	DDGD	
COc1ccccc1S(=O)(=O)NNC(=O)c1ccc(C)o1	84461403	ZOGOPRIIBZULEK-UHFFFAOYSA-N	310.331	1.220	50	20	DDGD	
C[C@H](N)CCC(=O)NNc1nc(-c2ccc(Cl)cc2)no1	193251124	MYWVIEUDBGCOPM-QMMMGPOBSA-N	309.757	1.961	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cc(Cl)cc(Cl)c1	194903989	HMBZMANSPONMSX-UHFFFAOYSA-N	318.160	1.680	50	20	DDGD	
O=S(=O)(CBr)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2CC1	382817527	VAYWNQLMIWLVRH-NAKRPEOUSA-N	306.225	1.813	50	20	DDGD	
Cc1ocnc1CNC(=O)NNC(=O)COCc1ccccc1	92497767	PQJUACLDXXVLSF-UHFFFAOYSA-N	318.333	1.030	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	245747808	WWERYAIAHJLEHO-MELADBBJSA-N	311.426	1.960	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CN2CCc3ccccc32)n1	267036957	BZLJOTHHSXMPBS-UHFFFAOYSA-N	317.780	1.944	50	20	DDGD	
CN1C[C@@H](NC(=O)NNc2ccc(Cl)cc2Cl)CC1=O	267465026	AITFOEPNYRLVNA-QMMMGPOBSA-N	317.176	1.850	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CCCS(C)(=O)=O	264606687	FEZJIQPBONLRJS-UHFFFAOYSA-N	317.319	1.334	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNC(=O)C(C)(C)c1ccccc1	264641210	OFIVXSIEAMNGDN-CYBMUJFWSA-N	322.405	1.553	50	20	DDGD	
CC(C)c1nn(C)cc1C(=O)NNC(=O)Cc1ccccc1F	264504659	PFEJOTCJGZAMKD-UHFFFAOYSA-N	318.352	1.686	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C	268131100	PPLHELNSACVXSD-DOMZBBRYSA-N	316.405	1.422	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCC[C@@H]2CCO[C@@H](C)C2)n1	273154629	YJXHUNJCFZHTKZ-QWHCGFSZSA-N	307.398	1.925	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C[C@@](C)(O)C1CC1	270028021	CSRHNSNLSWKPCQ-MGPLVRAMSA-N	324.352	1.292	50	20	DDGD	
Cc1cc(C)cc(CCC(=O)NNC(=O)N2CCN(C)CC2)c1	278514212	BFSAWHYCLJGUHF-UHFFFAOYSA-N	318.421	1.224	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc(N2CCOC2=O)cc1	273504688	RLSANPFJFLGAKV-UHFFFAOYSA-N	320.349	1.842	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1cnc2ccsc2c1	275499005	QPDAAQBFAQVBDL-UHFFFAOYSA-N	314.392	1.151	50	20	DDGD	
C[S@@](=O)c1ccc(NC(=O)NNC(=O)CC2CC2)cc1F	273508875	RLZILCZBIGEFNQ-OAQYLSRUSA-N	313.354	1.516	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@H]2C[C@@]23CCOC3)cc1	372058863	VVHQERVPWZYIBE-CZUORRHYSA-N	318.377	1.332	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1cc(C2CC2)no1	281952997	VEONCGABXXFAJW-UHFFFAOYSA-N	315.329	1.651	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1ccc(C(F)F)cc1	287740079	HXDFRNHHHSHRID-UHFFFAOYSA-N	307.322	1.479	50	20	DDGD	
C[C@@H](CN(C)C)NC(=O)NNC(=O)c1cccc2ccccc12	287988310	KKMAIRINFYBVCZ-LBPRGKRZSA-N	314.389	1.734	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1	286315770	KQAACGDOUSBWBD-YUMQZZPRSA-N	302.252	1.937	50	20	DDGD	
N#CCCCC(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	291610141	DMVPGCYQMAXSCE-UHFFFAOYSA-N	317.317	1.820	50	20	DDGD	
O=C(NNC(=O)C(F)(F)C(F)F)Nc1ccc2c(c1)OCO2	802103876	LFMDGMYXTNRVEE-UHFFFAOYSA-N	323.202	1.468	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@H](F)C(F)(F)F	809982515	HJFHCSRXRTUOQX-NSHDSACASA-N	317.242	1.758	50	20	DDGD	
COc1cccnc1CC(=O)NNc1cccc([N+](=O)[O-])c1	807118499	GPALKWXYCSXSLR-UHFFFAOYSA-N	302.290	1.684	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)c1ccc(Cl)cc1OC	294267533	DQYUWCNUOAANRG-NSHDSACASA-N	314.769	1.925	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@H]1COCCN1CC(F)F	808247905	VKPXEDQXQRCHRL-SSDOTTSWSA-N	305.152	1.214	50	20	DDGD	
N#C[C@@]1(C(=O)NNC(=O)CNc2ccccc2)CC12CCCC2	294935816	BKHNETMNEGKVNP-QGZVFWFLSA-N	312.373	1.720	50	20	DDGD	
CSSCCNC(=O)N[C@@H]1CCCC2(C1)OCCO2	807227871	ISZPQORILOKVRX-SNVBAGLBSA-N	306.453	1.983	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCc2nnc(C)s2)n1	292120582	WVOLEYUYZXVUPD-UHFFFAOYSA-N	307.383	1.122	50	20	DDGD	
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1cn(C)c(C)n1	800812579	HNVVCEMLFBMCHH-UHFFFAOYSA-N	317.305	1.496	50	20	DDGD	
Cc1cnn(CC(=O)NNC(=O)Nc2ccc(Cl)cc2)c1	802016922	QVBUBXPEOBVAFC-UHFFFAOYSA-N	307.741	1.698	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1ccc2[nH]c(C)cc2c1	807561533	QPXDDPZXTDANAU-UHFFFAOYSA-N	304.350	1.343	50	20	DDGD	
CN(C)C(=O)c1cccc(C(=O)NNc2ncccc2F)c1	804218165	QHXNFKFUOGVGMQ-UHFFFAOYSA-N	302.309	1.679	50	20	DDGD	
CC[C@@H](CNC(=O)NNc1ccncn1)NC(=O)OC(C)(C)C	298287599	CLBIGNVIZZEUPT-JTQLQIEISA-N	324.385	1.406	50	20	DDGD	
Cc1cccc(NC(=O)NCC(=O)NNc2ncccc2F)c1	804211562	PYIFHFMXGCUCIK-UHFFFAOYSA-N	317.324	1.794	50	20	DDGD	
O=C(CCCNC(=O)c1ccccc1)NNc1ncncc1F	817071709	ZMEUNQSEGVMZQS-UHFFFAOYSA-N	317.324	1.269	50	20	DDGD	
O=C(NNC(=O)c1ncoc1C1CC1)c1ccc(Cl)nc1	815039739	MDLXSCFQKNARML-UHFFFAOYSA-N	306.709	1.675	50	20	DDGD	
Cc1c[nH]cc1C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	812731562	LQCDCRBXVHDHRR-UHFFFAOYSA-N	322.390	1.330	50	20	DDGD	
CC(=NNC(=O)Cc1cccnc1)c1cn(-c2ccccc2)nn1	814837582	BUUXOAVNXQGOOH-UHFFFAOYSA-N	320.356	1.745	50	20	DDGD	
CN(NC(=O)c1nn(-c2ccc(F)cc2)ccc1=O)C1CC1	819647628	QCNSZINZUSFAOL-UHFFFAOYSA-N	302.309	1.111	50	20	DDGD	
CN1CCc2[nH]c3ccc(C(=O)NNC(=O)C4CC4)cc3c2C1	818034260	FGDRFAXAORSKGU-UHFFFAOYSA-N	312.373	1.327	50	20	DDGD	
O=C(O)CCOc1ccc(C=NNC(=O)[C@@H]2CCCS2)cc1	819827942	YAPVXDWRHLQQPN-ZDUSSCGKSA-N	322.386	1.886	50	20	DDGD	
COc1nccc(C(=O)NC[C@@]2(C)C[C@H]2Br)n1	826859110	PAQUXGCKPMBEPO-LDYMZIIASA-N	300.156	1.389	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C2(C(=O)C3CC3)CC2)cc1	824037458	NZBZIGHOYUPYBP-UHFFFAOYSA-N	315.373	1.314	50	20	DDGD	
O=C1C[C@@H](C(F)(F)F)[C@@H](C(=O)NNc2cccc(F)c2)CN1	821147864	LPJKMIGLMRRTEG-VHSXEESVSA-N	319.258	1.583	50	20	DDGD	
COCCC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C(C)C	821684526	BXUYEOLTEUVJPU-UHFFFAOYSA-N	316.365	1.645	50	20	DDGD	
CC(C)(C(=O)NNC(=O)COc1ccccc1O)C1CCC1	823180447	SYDTUAJVFFUZHO-UHFFFAOYSA-N	306.362	1.745	50	20	DDGD	
CCOc1cc(C(=O)NNc2nccc(N(CC)CC)n2)on1	826971401	XQVXPKLLXOGJFY-UHFFFAOYSA-N	320.353	1.466	50	20	DDGD	
CCOCC(=O)NN=C[C@H](CNC(=O)OC(C)(C)C)C(C)C	492151288	VFKHHZGIJMEOON-LBPRGKRZSA-N	315.414	1.922	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NNc1cccc(-c2nn[nH]n2)c1	824909331	SXBDDRAQZDHFGM-GHMZBOCLSA-N	315.381	1.183	50	20	DDGD	
C[C@]1(C(=O)NNc2cc(C(F)(F)F)ccn2)CCNC1=O	823218382	GHZBWVZWZWBJBV-NSHDSACASA-N	302.256	1.070	50	20	DDGD	
CCn1cc(Br)cc1C(=O)NN(C)[C@H](C)CO	823964956	GQTJEHBDRHFCLI-MRVPVSSYSA-N	304.188	1.228	50	20	DDGD	
CCCN(NC(=O)[C@H]1NC(=O)O[C@@H]1C)C(=O)OC(C)(C)C	496439441	AAXGGGSWYGEATE-BDAKNGLRSA-N	301.343	1.162	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)N[C@@H]1CCCSC1	823281884	ZOIAFBBYIOBTLT-LLVKDONJSA-N	319.394	1.388	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1C[C@@H](C)[C@H]1c1ccccc1	827289640	UNJBJSXKNHEASF-OSRDXIQISA-N	317.389	1.845	50	20	DDGD	
CC(C)(CS(C)(=O)=O)NC(=O)/C(C#N)=C\c1ccc(O)cc1	491009243	JMOFWKLQPKOLLM-WQLSENKSSA-N	322.386	1.239	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC(c2ccccc2F)CC1	827860102	RDNRLICJSZUHCL-UHFFFAOYSA-N	321.396	1.809	50	20	DDGD	
Cc1sc(NC(=O)NNC(=O)c2cnn(C)c2)nc1C(C)C	824273658	RCVCFCBBRNNHGB-UHFFFAOYSA-N	322.394	1.775	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)Cc1ccccc1C)C(C)(C)C	491782947	OSQIZRIPHURVOI-AWEZNQCLSA-N	301.390	1.916	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)CCCOCc1ccccc1	497134051	RMCQKBFZGQVQJH-UHFFFAOYSA-N	316.379	1.174	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCC[C@@H]2[C@H]2CCCO2)cn1	491007665	GHVPYSOICYACCK-CDWBCPPQSA-N	300.362	1.497	50	20	DDGD	
CCn1ncc(C)c1NC(=O)NNC(=O)c1ccccc1OC	825156390	VTMPHJSLAJNYMU-UHFFFAOYSA-N	317.349	1.687	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCC[C@H](c2ccccc2)CC1	584939266	IBLKYBXOFRQWRF-INIZCTEOSA-N	323.201	1.776	50	20	DDGD	
O=C(NC1(Cc2ccccc2)CCCC1)c1cccc(B(O)O)c1	584973891	DPTTXRUSEHGSPO-UHFFFAOYSA-N	323.201	1.652	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H]1CCCN(CCc2ccccc2)C1	823884999	RLXLSTGDBUEWGT-QGZVFWFLSA-N	319.449	1.287	50	20	DDGD	
C#CCCCC(=O)NN=Cc1ccc(OCC(=O)OC)cc1	901324554	SYMMVIMQTGIUHI-UHFFFAOYSA-N	302.330	1.492	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNc1ncncc1Cl)C(C)C	822286826	HPTWMOHCRDKFEB-SECBINFHSA-N	300.746	1.408	50	20	DDGD	
Cc1nonc1C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	733911211	MXMSKRYXENABOC-UHFFFAOYSA-N	318.377	1.746	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)cc1)c1ccc(OC(F)F)cc1	585015445	ZDHJVGBGPSUOQN-NSHDSACASA-N	321.132	1.819	50	20	DDGD	
C#CCOc1ccccc1CNC(=O)NNC(=O)c1ccc[nH]1	734218151	PXADVBPCKHNQCJ-UHFFFAOYSA-N	312.329	1.171	50	20	DDGD	
CN(C)C1(CNC(=O)/C(C#N)=C/c2cnn(C)c2)CCCC1	490970198	GHHMNNKBAQCYAZ-RIYZIHGNSA-N	301.394	1.318	50	20	DDGD	
Cc1cnc([C@H](NCc2ccccc2B(O)O)C2CC2)s1	585024764	CBYQCMVXDBJBMY-CQSZACIVSA-N	302.208	1.372	50	20	DDGD	
NC(=O)C1(C(=O)NNc2cc(Cl)ccc2[N+](=O)[O-])CCC1	836822682	LWVWEXHOPHXPJB-UHFFFAOYSA-N	312.713	1.347	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1cc2c(cn1)CCC2	836702313	MPFGLCKTTSSXSR-UHFFFAOYSA-N	300.322	1.068	50	20	DDGD	
CC(C)(NS(=O)(=O)CCl)C(=O)NCC1CCCCC1	830909322	ZVDCGZZTBVSFSW-UHFFFAOYSA-N	310.847	1.577	50	20	DDGD	
CC[C@@H]1C[C@H]1CNC(=O)NNC(=O)CSc1ccccc1O	836589496	AWMKOKKVPRRRPN-MNOVXSKESA-N	323.418	1.861	50	20	DDGD	
O=C(N1CC[C@H](B(O)O)C1)C1(Cc2ccccc2Cl)CC1	585065136	UZUFMNSIWGHZOJ-LBPRGKRZSA-N	307.586	1.738	50	20	DDGD	
COC(=O)N(C)Cc1ccc(NC(=O)NNC(=O)C(C)C)cc1	495221474	MZNHGICXXFIEGH-UHFFFAOYSA-N	322.365	1.694	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NC[C@@]2(C)CCOC2)c1	733351416	CQXOYASDQJXOGV-MRXNPFEDSA-N	320.393	1.123	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccc(OC)c1OC(C)C	831854471	XKABLJXAEKHRMR-UHFFFAOYSA-N	309.366	1.789	50	20	DDGD	
O=C(NNC(=O)c1ccc2ccccc2c1)NNc1cccnn1	736377802	HWLBVMCSNDWYCF-UHFFFAOYSA-N	322.328	1.601	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C[C@@H](C)c2cnn(C)c2)cc1	839463719	DTMMTUVTHRJJHI-GFCCVEGCSA-N	314.389	1.937	50	20	DDGD	
CCOCCC1(c2nc(-c3ccc(B(O)O)cc3)no2)CCC1	585051214	XWFZWSVFBHBBQF-UHFFFAOYSA-N	316.166	1.265	50	20	DDGD	
O=C(NNc1cccc(Br)n1)[C@]1(O)CCSC1	837211992	NRLFFLFKLVSCAA-JTQLQIEISA-N	318.196	1.155	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)c1cc2c(cc1O)OCO2	733811636	JJBCHRNQHHOCPB-UHFFFAOYSA-N	324.296	1.821	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@H]1CC[C@@H](C(=O)O)C1	831089157	UEVCEBDOWVISFS-SVRRBLITSA-N	300.265	1.239	50	20	DDGD	
C[C@H](Oc1cccc(F)c1)C(=O)NNc1ccc(C(=O)O)cn1	833541895	WWLMZXBCFUUBTE-VIFPVBQESA-N	319.292	1.830	50	20	DDGD	
C[C@H](NC(=O)c1cccc(B(O)O)c1)c1ccc(C2CC2)cc1	584999117	DCYYSDVTNMITDV-LBPRGKRZSA-N	309.174	1.735	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1	830856738	YTWQGWNNMSCFAW-RFBLXINOSA-N	319.449	1.712	50	20	DDGD	
Cc1ccc(C[C@H](C)NC(=O)c2cc(B(O)O)ccc2F)s1	584949483	MFXNCIGHLCHULM-VIFPVBQESA-N	321.182	1.236	50	20	DDGD	
CC[C@@H](c1ccncc1)N(C)C(=O)c1cc(B(O)O)ccc1F	584950726	SOUVLUHYPQMHIT-HNNXBMFYSA-N	316.141	1.124	50	20	DDGD	
O=CN1CCC[C@H]1C(=O)NNc1ccc(OC(F)(F)F)cc1	830792129	QXMKLGXICKTKEU-NSHDSACASA-N	317.267	1.649	50	20	DDGD	
C[C@H]1CC=C(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1	836572598	JPZXJDJKIJJRCS-JTQLQIEISA-N	321.402	1.372	50	20	DDGD	
OB(O)c1ccc(CN[C@H](C[C@H]2CCOC2)c2ccccc2)o1	585032774	ZXJDNBZALBHRNR-CZUORRHYSA-N	315.178	1.217	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2)Nc1cc(F)cc(F)c1	837604312	JWWQKLRUXJKMEY-BPTDKIDVSA-N	323.299	1.733	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@]2(CC=CCC2)C1	584947403	OWBVYXREWKLDPM-QGZVFWFLSA-N	317.169	1.468	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCCO1)c1ccc2c(c1)OCCO2	834990621	UCOJUMCWIUNITO-CQSZACIVSA-N	304.346	1.867	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cc(O)cs1	731865328	NPPUNWBEBONCJQ-UHFFFAOYSA-N	315.354	1.939	50	20	DDGD	
CCCN1CCC[C@@H](C(=O)NNC(=O)c2cccc(Cl)n2)C1	912507230	JJTQVKCXYZXOSQ-LLVKDONJSA-N	324.812	1.618	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1NC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	838767091	QYGSTKSFPSMSMU-WDEREUQCSA-N	320.349	1.796	50	20	DDGD	
Cn1cc(CCNC(=O)NNC(=O)c2cccc(Cl)c2)cn1	916595018	JGRXWGIUWHUCEJ-UHFFFAOYSA-N	321.768	1.260	50	20	DDGD	
CCOc1ccc(C=NNC(=O)[C@@H](C)OCCOC)c(O)c1	748256352	ANTDJGDBQPJYPZ-LLVKDONJSA-N	310.350	1.293	50	20	DDGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccc2nnnn2c1	748898340	MKADUQHVCOOCNY-UHFFFAOYSA-N	306.688	1.674	50	20	DDGD	
COCc1cccc(CNC(=O)NNC(=O)C2CCCC2)c1	916426061	DPDFOXMZDUAJHV-UHFFFAOYSA-N	305.378	1.854	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCC[S@](C)=O	746242976	PLOSMRPURTXSBH-IBGZPJMESA-N	305.831	1.237	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cccnc1N1CCC(O)CC1	913208321	KGNYIRSXWZDNID-VAWYXSNFSA-N	316.361	1.425	50	20	DDGD	
CCCC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CC1(C)C	841615763	FPHNOLMHXSKXHG-QWRGUYRKSA-N	300.424	1.740	50	20	DDGD	
Cn1c(NNC(=O)c2cn3c(n2)CCCC3)nc2ccccc21	848380477	HDALWPDGJJHOQI-UHFFFAOYSA-N	310.361	1.863	50	20	DDGD	
Cc1ccnc(NNC(=O)C2(n3cnnn3)CCCCC2)c1	846639048	MKDRORIHFIYRGK-UHFFFAOYSA-N	301.354	1.179	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccccc1NCc1cccnc1	748013764	OPOJAKIMRSHUDI-UHFFFAOYSA-N	310.357	1.865	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NC[C@@H]1C[C@@H](C)O[C@@H]1C	840434693	SDDVOUZFCYPECP-NFAWXSAZSA-N	319.405	1.681	50	20	DDGD	
CC(C)(C#N)CNC(=O)NNc1ncc(Br)cn1	847349052	PZLUYUQUXCFGNO-UHFFFAOYSA-N	313.159	1.415	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)CCn1cncn1	840549055	WFORDDHLXYVJOG-UHFFFAOYSA-N	309.761	1.378	50	20	DDGD	
C[C@H]1CCCCCC1=NNC(=O)N[C@H]1CCS(=O)(=O)C1	844579046	QIDLENWDCQLDCN-QWRGUYRKSA-N	301.412	1.429	50	20	DDGD	
O=C(NNC(=O)N1CCC(c2ccncn2)CC1)C1CCCC1	841586526	OBHOXKKVRLTHPC-UHFFFAOYSA-N	317.393	1.587	50	20	DDGD	
CCn1nc(C(=O)NNc2cccc3cnccc23)ccc1=O	748769644	KGCPMWFNVPBCAT-UHFFFAOYSA-N	309.329	1.568	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(Cl)nc1Cl	843648531	QSTWLHQQFSGZGB-NKWVEPMBSA-N	318.160	1.574	50	20	DDGD	
CC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(CCl)cc2)C1	917874106	VYGBFAASAHIDNF-GFCCVEGCSA-N	316.810	1.325	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccc2c(c1)CCC(=O)N2	842559555	WBIGXAHDVKUIIH-BXUZGUMPSA-N	315.373	1.837	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC[C@@H](C)CN)c2ccccc2n1	841963859	WMPRODMIGLCXEX-JTQLQIEISA-N	315.377	1.082	50	20	DDGD	
CCc1cccc(OCC(=O)NNc2ccnc(N(C)C)n2)c1	740107908	PRXJFDNPEHUPPI-UHFFFAOYSA-N	315.377	1.627	50	20	DDGD	
CC(C)C[C@H](C)OCCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843652560	JYWNUGAEGYDYHF-XQQFMLRXSA-N	300.399	1.400	50	20	DDGD	
CC(=NNC(=O)Cc1csc(C)n1)c1cnc(C)nc1C	741456574	KSICYONOBXKZKK-UHFFFAOYSA-N	303.391	1.941	50	20	DDGD	
O=C(CCCn1cccn1)NNC(=O)c1c[nH]c2ccccc12	747900440	CITLDHJGCCVFNW-UHFFFAOYSA-N	311.345	1.606	50	20	DDGD	
COc1ccc(O)c(C(=O)NNc2cc(Cl)nc(C)n2)c1	748339019	NCNPYHONDNQLPK-UHFFFAOYSA-N	308.725	1.910	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)NCCN1CCNCC1	841921635	SEKQQTDZQAYLNQ-UHFFFAOYSA-N	319.453	1.650	50	20	DDGD	
CCN1CC[C@@H](OC(=O)/C(C#N)=C/c2ccc(OC)cc2)C1=O	849633875	PPXZTLQLCFSIQE-NRMKIYEFSA-N	314.341	1.766	50	20	DDGD	
CNC(=O)NNC(=O)[C@@H](c1c(F)cccc1Cl)N(C)C	746160026	UPGFJRZLZMYJJD-SNVBAGLBSA-N	302.737	1.042	50	20	DDGD	
O=C(NNC(=O)c1cc2cccnc2[nH]1)NC1CCCCC1	840238251	VYMLGFHILXRMCW-UHFFFAOYSA-N	301.350	1.840	50	20	DDGD	
CCNCCCNC(=O)NNC(=O)Nc1ccc(Cl)cc1	841917995	YPOWZOYSMVNFPA-UHFFFAOYSA-N	313.789	1.675	50	20	DDGD	
CC(C)(C)OC(=O)[C@@]1(C(=O)NNc2ncccn2)CC=CCC1	845161760	AFODJGBXMNZCOR-INIZCTEOSA-N	318.377	1.988	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1ccc(S(C)(=O)=O)s1	842549566	ODYPFBNLMAZRDB-WPRPVWTQSA-N	316.404	1.027	50	20	DDGD	
Cc1cc(=NNC(=O)NCc2nc3c(s2)CCCC3)cc[nH]1	926429200	HEQDGGGNMABJSV-UHFFFAOYSA-N	317.418	1.974	50	20	DDGD	
CC(=O)N[C@@H](CCC(C)C)C(=O)NNc1nc2ccccc2[nH]1	857167098	ULCXZUZDIKUCPD-AWEZNQCLSA-N	317.393	1.947	50	20	DDGD	
CCn1nccc1CNC(=O)NC[C@]1(C)C[C@H]1Br	856868246	KTAGZMRZZHQZTE-PWSUYJOCSA-N	315.215	1.876	50	20	DDGD	
C[C@@H](NCC(=O)NNC(=O)C(C)(C)C)[C@H](C)c1ccccc1	754180133	GKZFJJQZFSTKMI-QWHCGFSZSA-N	305.422	1.962	50	20	DDGD	
C[C@H](O)c1ncc(C(=O)NNc2ncc(F)cc2F)s1	857533675	IAHBFIDKAPZTGH-YFKPBYRVSA-N	300.290	1.627	50	20	DDGD	
C[C@@H](OC[C@H]1CCCO1)C(=O)NNc1ncc(Cl)cn1	857356279	XUEQGLYHIWTPOA-PSASIEDQSA-N	300.746	1.157	50	20	DDGD	
CCSc1ccc(CC(=O)NNc2nnc(C)c(O)n2)cc1	752610984	JAITVQFKRRVSTE-UHFFFAOYSA-N	319.390	1.683	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1	854213887	NORJWEPXFLCJFZ-LLVKDONJSA-N	321.352	1.372	50	20	DDGD	
COc1cccc([C@H](C)CC(=O)NNC(=O)c2cc[nH]n2)c1	855357453	JUCGPGKRSQANNY-SNVBAGLBSA-N	302.334	1.373	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCCOCCF)c2ccccc21	851918054	UMYFNSJAVXGYSN-UHFFFAOYSA-N	322.340	1.108	50	20	DDGD	
O=C(NCC1CCSCC1)NNc1ncc(Cl)cn1	856865860	WYYMBBGNLOZPDT-UHFFFAOYSA-N	301.803	1.899	50	20	DDGD	
C[C@H]1CC/C(=C\C(=O)NNC(=O)Cc2cn3ccccc3n2)C1	753632648	RWUDXYXFKPMVOI-OQZOHAQUSA-N	312.373	1.771	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Cc1cn2cccc(C)c2n1	750663556	PMXLCPQWTQQFIQ-UHFFFAOYSA-N	322.368	1.955	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CC(C)(C)Oc2ccccc21	751521485	PEBVCUQMZQYEMV-UHFFFAOYSA-N	303.362	1.593	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCCC1=NNC(=O)c1cccc(F)n1	853442073	HSJBAUBKFZQPLI-NSHDSACASA-N	313.354	1.294	50	20	DDGD	
CC[S@](=O)CCNC(=O)NC[C@]1(C)C[C@@H]1Br	856833918	AWAHJIWPUDDMCS-ACZUWMGVSA-N	311.245	1.228	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc(-c2nnc(S)o2)cc1	759644620	VNXYFWYYQHTVLE-UHFFFAOYSA-N	321.362	1.378	50	20	DDGD	
CCn1cc(C(=O)C(=O)NC[C@@]2(C)C[C@H]2Br)cn1	857249504	HHDXQLGAMRRIFL-BXKDBHETSA-N	314.183	1.375	50	20	DDGD	
C[C@@H]1CN(C2CC2)CC1=NNC(=O)[C@H]1COc2ccccc2O1	755881200	VVFQFRHZMZGFOL-BDJLRTHQSA-N	315.373	1.413	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C	854163670	COGIBOZPJVCTLZ-CQSZACIVSA-N	318.370	1.289	50	20	DDGD	
C[C@]1(CN2C(=O)N[C@H](c3cccnc3)C2=O)C[C@H]1Br	857227488	OEOUIPMJSWVLPK-GIPNMCIBSA-N	324.178	1.848	50	20	DDGD	
CN(CC(C)(C)CN)C(=O)NC[C@@]1(C)C[C@H]1Br	857105364	KGZWCVOQENOBMJ-BXKDBHETSA-N	306.248	1.786	50	20	DDGD	
O=C(NN=C1CCC(=C2CCC2)CC1)[C@@H]1CCS(=O)(=O)C1	853284459	DHTXONIFJKNHPR-CYBMUJFWSA-N	310.419	1.948	50	20	DDGD	
CCCn1nccc1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	850241514	JHWVPSKKLBYBJW-LLVKDONJSA-N	324.381	1.032	50	20	DDGD	
C[C@H](CCCC(F)(F)F)NC(=O)NNC(=O)c1cn[nH]c1	858397675	QUKCHASXHHSFJY-SSDOTTSWSA-N	307.276	1.475	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(C)o2)cc1	755828992	USWHODQSAWPNLI-UHFFFAOYSA-N	317.301	1.841	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2NC(=O)O[C@@H]2C)c1C	854186766	VXZLRDHLPPUWSE-KOLCDFICSA-N	322.390	1.118	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](C)c2cnn(C)c2)c1C	855625229	BKZWLXLFPWBZLX-SNVBAGLBSA-N	316.361	1.762	50	20	DDGD	
CC(C)(C)N1C[C@H](C(=O)NNc2ccc(Cl)cn2)CC1=O	856095961	XIQAELCCBMVCOR-SECBINFHSA-N	310.785	1.825	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(F)c(C(C)=O)c1	931375233	OTPGUUIKCCSOIR-UHFFFAOYSA-N	305.309	1.985	50	20	DDGD	
COC1(C(C)=NNC(=O)c2cc([N+](=O)[O-])ccc2O)CCC1	853312149	KFOOPYYLJKBODZ-UHFFFAOYSA-N	307.306	1.975	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccn(C(C)C)n2)cc1F	850704903	XVIYBHXQLKYNKU-UHFFFAOYSA-N	319.340	1.993	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cc(C(=O)O)cs2)n1	755566748	ZIAXBSRZBSHRRM-UHFFFAOYSA-N	306.347	1.410	50	20	DDGD	
O=C(C[C@@H]1CSCCS1)NNC(=O)NC1CCCC1	751757493	VPDLUFGSZURVNE-SNVBAGLBSA-N	303.453	1.498	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2cccc(F)c2O)ccn1	755708254	BKYLKHBBIILGQQ-UHFFFAOYSA-N	302.309	1.756	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1cccc(F)c1	758382719	ZAWNNKHTBFJSCM-UHFFFAOYSA-N	300.293	1.700	50	20	DDGD	
O=C(CN1CCOCC1)NNc1nc2ccccc2[nH]c1=S	862292983	MFUIILWTZSKBRO-UHFFFAOYSA-N	319.390	1.068	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)CCc1cn[nH]c1	863851644	GYAAONBGCRGCGF-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)c1ncc2n1CCCC2	866730368	WYMZKBMOCDDRHE-UHFFFAOYSA-N	314.374	1.981	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)CCc1ccc(F)cc1	864601329	QMIDJPPCAOFVTN-LLVKDONJSA-N	323.368	1.066	50	20	DDGD	
C[C@H](NNC(=O)c1cccnc1-c1cnn(C)c1)C(F)(F)F	862319964	OCCXFSRNSUYPEG-QMMMGPOBSA-N	313.283	1.667	50	20	DDGD	
O=C(NCCSCC(F)(F)F)NNC(=O)c1ccccc1	769710443	VGHGRJVGFKXBDH-UHFFFAOYSA-N	321.324	1.926	50	20	DDGD	
COC(OC)c1ccc(C(=O)NNC(=O)c2ccccc2)o1	769675919	HMMGJLBBRYHMCG-UHFFFAOYSA-N	304.302	1.646	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@H](CO)C1CCOCC1	768427050	GYNIMKMGIQQZEZ-GHMZBOCLSA-N	322.243	1.700	50	20	DDGD	
COCCN1CC[C@@H](NC(=O)[C@H](Br)C(C)(C)C)C1	768031109	OTFWGBYCKJTNRJ-MNOVXSKESA-N	321.259	1.633	50	20	DDGD	
COC(=O)c1cc(NNC(=O)Cn2nccc2C)ccc1C	863918567	ISEXIPRTAYUPLH-UHFFFAOYSA-N	302.334	1.430	50	20	DDGD	
COC(=O)[C@]1(NC(=O)[C@@H](Br)C(C)(C)C)CCOC1	768253931	SUCHILFLYNHRLK-PELKAZGASA-N	322.199	1.244	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1ccc2nnc(O)n2c1	763099207	MJHZWBFFQCNNBU-UHFFFAOYSA-N	323.234	1.609	50	20	DDGD	
CCCCCC[C@](C)(CC)C(=O)NNC(=O)[C@H]1CCC(=O)N1	862455605	HNTHUSDPKAEFGX-WBMJQRKESA-N	311.426	1.799	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N(CC(N)=O)C1CCCC1	866505696	SKDNNRWSRMSJJN-UHFFFAOYSA-N	310.847	1.311	50	20	DDGD	
COc1cc(CCC(=O)NNC(=O)c2cc(C)cs2)on1	862480747	JHQGBOXWVWPKFM-UHFFFAOYSA-N	309.347	1.447	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cc(C)c(=O)n(C)c1	768395096	HSRUNYFMERPNOE-UHFFFAOYSA-N	322.796	1.998	50	20	DDGD	
O=C(CCCC(=O)C1CC1)NNCC(F)(F)C(F)(F)F	863102038	SFUHBFVNSDZMML-UHFFFAOYSA-N	302.243	1.954	50	20	DDGD	
C[C@H](NNC(=O)c1cccc(N2CCCC2=O)c1)C(F)(F)F	862305263	LLYUTENUWPXDLY-VIFPVBQESA-N	315.295	1.999	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2coc(C3CCC3)n2)n1	769991495	RWPBAFILFKUSJN-UHFFFAOYSA-N	302.338	1.555	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@H]2C[C@H](OC)C2)cc1F	875903490	KSHYYGPJULKSRH-MGCOHNPYSA-N	311.313	1.416	50	20	DDGD	
COc1ccnc(NNC(=O)c2c(Cl)cccc2[N+](=O)[O-])n1	765471519	ZMTYNVQMLFSONS-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
CCc1cccc2c1OCCC2=NNC(=O)COCCOC	872400662	OHTXWNCTDQXQFZ-UHFFFAOYSA-N	306.362	1.515	50	20	DDGD	
CC(=O)N(CC(=O)NNC(=O)CC1CCCC1)c1ccccc1	878577696	LOVANAXJXFBKHC-UHFFFAOYSA-N	317.389	1.767	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COCc2ccccc2)ccc1O	779518833	IFHMPDPQJQYPLI-UHFFFAOYSA-N	314.341	1.678	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)n1	775409759	PWVLCTYNABRGPP-UHFFFAOYSA-N	318.293	1.850	50	20	DDGD	
O=C(CSC1CC1)NNC(=O)c1nc2ccccc2s1	874914309	RWEDURIRTQSDMS-UHFFFAOYSA-N	307.400	1.953	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)O1	772188671	SFGSBASINJGGMX-IJLUTSLNSA-N	314.382	1.069	50	20	DDGD	
C[C@H](NCC(=O)NNC(=O)C(C)(C)C)c1cccc(F)c1F	775554398	YUVCJJMOYCKQBS-VIFPVBQESA-N	313.348	1.809	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C1CCSCC1	772112600	FAXYQYMGNBTBSX-SNVBAGLBSA-N	316.423	1.255	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cncn1-c1ccccc1)C(C)(F)F	1117742239	NKEDKTJNWGSGMX-JTQLQIEISA-N	322.315	1.925	50	20	DDGD	
CCc1ccsc1C(=O)NNc1nc(O)c2cnn(C)c2n1	770974639	NPMUKIINRMRCTI-UHFFFAOYSA-N	318.362	1.450	50	20	DDGD	
COC(=O)Nc1ccc(NC(=O)NNC(=O)C2CCC2)cc1	779353085	SIZAKXGDCYUJJV-UHFFFAOYSA-N	306.322	1.818	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(S(C)(=O)=O)c1)n1cccc1	1116479215	NXYWNKCMCSVMRX-NSHDSACASA-N	307.375	1.596	50	20	DDGD	
COc1cccc(NNC(=O)c2n[nH]c3c2C[C@H](C)CC3)n1	1119526052	SUUSOBYOBLGZKK-SECBINFHSA-N	301.350	1.695	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)[C@@H]2CCSC2)c1	776533693	QUPFIBLIJNFCRP-SECBINFHSA-N	300.405	1.286	50	20	DDGD	
Cc1nn(C)cc1C(=O)NNc1ccnc(Br)c1	771540025	DGBVJDIFIIAKOO-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
COC(=O)[C@]1(NC(=O)C2CCC(Cl)CC2)CCSC1	1123773937	AUHUSUPWPHDOJD-ZPPKWKGLSA-N	305.827	1.949	50	20	DDGD	
CCc1ccc(CNC(=O)NNC(=O)C2CCOCC2)s1	883134664	FXNCVRFBDMARDS-UHFFFAOYSA-N	311.407	1.568	50	20	DDGD	
CCCC[C@@H](CC)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	886577432	IOLQXPFIADXNIM-CHWSQXEVSA-N	304.456	1.695	50	20	DDGD	
Cc1nn(C)c(C(=O)NNc2nc3ccccc3[nH]2)c1[N+](=O)[O-]	777524523	FGUOHEWOZYPIRS-UHFFFAOYSA-N	315.293	1.270	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)COc1ccc(F)cc1	770590859	CPOMWGISHYIOAP-UHFFFAOYSA-N	304.325	1.651	50	20	DDGD	
C[C@@H](CCNC(=O)NNC(=O)c1cccnn1)CC(C)(C)C	883594607	LXLFBHZWPPXKSA-NSHDSACASA-N	307.398	1.883	50	20	DDGD	
O=C(NNC(=O)N1CCC2(CCCCC2)CC1)c1cccnn1	883850017	OCCPNXQGUZGINH-UHFFFAOYSA-N	317.393	1.877	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NNC(=O)c1cccnn1	882056579	ABXSNRVIVLPRPK-UWVGGRQHSA-N	302.359	1.411	50	20	DDGD	
O=C(NN=Cc1cc2ccccc2[nH]1)C(=O)Nc1ccccn1	788434323	RRJSKOCDPROATP-UHFFFAOYSA-N	307.313	1.652	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCCOC(F)(F)F	788838655	YBNHPNSLXNSFEB-UHFFFAOYSA-N	323.246	1.235	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@@H](CO)Cc1ccc(F)cc1	881914129	DYSSQYVRWAWOMG-LBPRGKRZSA-N	323.817	1.525	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H](C)c1ccc(F)cc1	1122050311	RBCCOPJOPIKUNJ-GBIKHYSHSA-N	309.341	1.642	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2ncncc2Cl)c2ccccc21	789853193	GIVOGSLHPQZPHQ-SNVBAGLBSA-N	302.721	1.943	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1ccnc(C2CC2)c1	783042633	TXFQZGZNYAUVNU-UHFFFAOYSA-N	300.318	1.696	50	20	DDGD	
CSC1(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CC1	789647898	SRPJUJYDMWXYMC-UHFFFAOYSA-N	316.386	1.529	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CO1	784114374	WLLOGSYEXPYXRX-NEPJUHHUSA-N	314.345	1.058	50	20	DDGD	
CC(C)[C@@H](NC1CCOCC1)C(=O)NNc1ccnc(F)c1	781435990	KHMMWSNAVAHSFB-CQSZACIVSA-N	310.373	1.457	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NC[C@@H]1CCC=CO1	780737988	YBGYJGACPYKSFD-ZDUSSCGKSA-N	319.361	1.261	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@H]1CNc1cccc(CN2CCNC(=O)C2)c1	894575498	MXCDPLHRZFLHDH-PJODQICGSA-N	307.825	1.904	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1cnn2cccnc12	791070586	NLYXEKUSPVXZSX-UHFFFAOYSA-N	316.252	1.534	50	20	DDGD	
C[C@H](C(=O)NNc1ncccn1)n1ccc2ccccc2c1=O	791204492	GOBSOZRDOHEHDT-LLVKDONJSA-N	309.329	1.496	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1cnc(-c2ccccc2)nc1	794956291	CYIHIXIEXAXSNU-RIYZIHGNSA-N	314.370	1.899	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1ccc(OC)cc1F	790391345	IEAIHPZOOWXZNC-UHFFFAOYSA-N	319.358	1.127	50	20	DDGD	
COc1cncc(C(=O)NNc2ncccc2C(F)(F)F)n1	792341569	CQKQKBVXTWJEIT-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cccc(C)n2)ccc1F	794086226	GDFFJPMNLHYYTL-UHFFFAOYSA-N	303.293	1.613	50	20	DDGD	
Cc1oc(C#N)cc1C(=O)NNC(=O)NCCc1cccs1	797841463	MSBHNDZIAOUHRB-UHFFFAOYSA-N	318.358	1.708	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)Cn1ccc2ccccc21	799932442	PHTZFLDGSYHZQF-OZVIIMIRSA-N	315.373	1.602	50	20	DDGD	
O=C(/C=C\c1ccc(O)c(O)c1)NNc1nc2ccccn2n1	791257510	LLKJQDDQWGVLKJ-ALCCZGGFSA-N	311.301	1.297	50	20	DDGD	
Cn1cc(N2CC[C@@H](NC(=O)NNc3ccc(F)cc3)C2)cn1	1318648274	DEAKJMAOPYLFGS-CYBMUJFWSA-N	318.356	1.464	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2=C(C)C(C)(C)OC2=O)cc1	1318125207	LLXPIRTXHNDMBA-UHFFFAOYSA-N	318.329	1.108	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)cc1	1323725049	UOONFICREILWSS-ZDUSSCGKSA-N	319.386	1.216	50	20	DDGD	
O=C(CO[C@H]1CCOC1)NNc1cncc(Br)c1	1320247600	OWKDLUFSRDDUKN-JTQLQIEISA-N	316.155	1.093	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNc1ccc(C(C)(C)C)nn1	1326571797	BVJUWIIPGWHQEY-UHFFFAOYSA-N	307.398	1.380	50	20	DDGD	
CN[C@H](C)CCNC(=O)NNC(=O)c1cccc2ccccc12	1325324114	MPIORCANRXNZAH-GFCCVEGCSA-N	314.389	1.782	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1cccc2cn[nH]c12	1327800095	HOTIZRJVNKHOAI-UHFFFAOYSA-N	310.313	1.798	50	20	DDGD	
COc1ccc(C[C@@H](C)N(C)CC(=O)NNC(=O)C(C)C)cc1	1327983443	RWNKIAWPRAFYCS-CYBMUJFWSA-N	321.421	1.361	50	20	DDGD	
CCCN1C[C@H](C(=O)NNc2ccc(C(C)(C)C)nn2)CC1=O	1331347261	MNIAQLKEDYESDI-LLVKDONJSA-N	319.409	1.476	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cnn(Cc2cccnc2)c1	1338734256	DFICQBSRVAJHPE-UHFFFAOYSA-N	317.353	1.024	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C[C@@H]1COc2ccccc2O1	1344041096	DPKQZXFAGBQOER-SNVBAGLBSA-N	309.391	1.120	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NC[C@H]1C[C@H]2C=C[C@H]1C2	1343347503	OBZDWYUSFHJFMV-MELADBBJSA-N	300.362	1.167	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21	1341279929	IGSUKSPIWOQMHD-XMHIBHPVSA-N	315.373	1.080	50	20	DDGD	
COC(=O)[C@H]1[C@H](O)CCCN1C(=O)c1cccc(CCl)c1	1353643743	CBSFXTWCYNLITF-CHWSQXEVSA-N	311.765	1.564	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NN=Cc1cc(C(=O)O)no1	1604431393	PHDWDCSHOVPWSF-MRVPVSSYSA-N	321.264	1.430	50	20	DDGD	
CC(C)n1cc(C(=O)NNc2ccc(C(=O)O)c(Cl)c2)nn1	1609723853	XDZVMLUVNYKHTB-UHFFFAOYSA-N	323.740	1.968	50	20	DDGD	
O=C(O)C1(C(=O)NNc2cc(Br)ccc2F)CC1	1601703158	WGMZIBGKPDPAQS-UHFFFAOYSA-N	317.114	1.896	50	20	DDGD	
O=C(O)C[C@H](NS(=O)(=O)c1ccc(CCl)cc1)C1CC1	1601908266	CVFRFTJBUGIJSX-LBPRGKRZSA-N	317.794	1.957	50	20	DDGD	
COC[C@H]1C[C@@H](NC(=O)NNc2cccc(C(=O)O)c2C)C1	1606938656	DZQMQDWPWYQYEY-PHIMTYICSA-N	307.350	1.744	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2ccnc(C(=O)O)c2)c1	1600647391	FGQKLRMXDYXPOF-UHFFFAOYSA-N	305.315	1.225	50	20	DDGD	
O=C(O)CC1(CNS(=O)(=O)CBr)CCCC1	1601922564	NPDJIGHXIFYIJI-UHFFFAOYSA-N	314.201	1.293	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)c1cccc(-c2nn[nH]n2)n1	1606855599	ACAQOIVPRDNGPG-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccn(CC(=O)O)n1	1605576333	LXXHYTRJYWIBGL-YRNVUSSQSA-N	312.285	1.219	50	20	DDGD	
Cc1cc(-n2c(C)cc(C=NNC(=O)NCC(=O)O)c2C)no1	1607557584	KQKPWPHMSVGNDR-UHFFFAOYSA-N	319.321	1.108	50	20	DDGD	
Cn1cc([C@H]2OCCC[C@@H]2C=NNC(=O)c2ccon2)cn1	1553288372	ZGWAWXWOXGLSNK-MFKMUULPSA-N	303.322	1.292	50	20	DDGD	
CCCNNC(=O)Cn1nc(C(F)(F)F)c2c1CCOC2	1577574490	CKDANZNUSQFYFL-UHFFFAOYSA-N	306.288	1.005	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2cc3n(n2)CCC[C@@H]3N)c1	1579158676	PMRQWRHJZZNZNA-LBPRGKRZSA-N	319.340	1.581	50	20	DDGD	
CC[C@](C)(CN)C(=O)NNC(=S)NCCc1cccs1	1576948331	JAVGPRWIKZBAAF-CYBMUJFWSA-N	314.480	1.161	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1cc(CN)n(C)c1C	1579797829	VGGLUVNBPJHEGJ-UHFFFAOYSA-N	314.389	1.104	50	20	DDGD	
Cc1cc(=NNC(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)cc[nH]1	1579635634	IXOGAXWFTDKBQV-OAHLLOKOSA-N	315.333	1.037	50	20	DDGD	
NCCCCCC(=O)NNC(=O)Nc1c(F)cccc1F	1580292560	BOKBMTSSYPBLDY-UHFFFAOYSA-N	300.309	1.637	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)COC(C)C)C1	1841128828	KULRRLQNJBZDCK-GFCCVEGCSA-N	316.829	1.632	50	20	DDGD	
NCC[C@H](NC(=O)NNc1nc2cccnc2s1)C(F)F	1580282578	BKQKIVCUFSYHFV-LURJTMIESA-N	316.337	1.300	50	20	DDGD	
O=C(Cc1ccccc1C(=O)O)NNc1ncncc1Cl	1594709652	DKFQNSGHLUHHGG-UHFFFAOYSA-N	306.709	1.514	50	20	DDGD	
CCC[C@@H](NC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C)C(=O)O	1595987877	RVHCKVSOBBKTKW-NFEOESJKSA-N	314.345	1.482	50	20	DDGD	
CC[C@H](C)N(C)CCNC(=O)NNc1cccc(C(=O)O)c1	1594967246	MURRWMBTFSXPKX-NSHDSACASA-N	308.382	1.741	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)c1ccc(-c2nn[nH]n2)nc1	1593167299	WKGGRFMYQWVUJD-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
C[C@H](CC(=O)O)C(=O)NNC(=O)c1nc2ccccc2s1	1592360424	YIJGUSINVOZURD-SSDOTTSWSA-N	307.331	1.168	50	20	DDGD	
O=C(NCC(Cl)Cl)Nc1cc(-c2nn[nH]n2)ccc1F	1593008244	BFRCTZXPDWFMRC-UHFFFAOYSA-N	319.127	1.931	50	20	DDGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1c(C(=O)O)cnn1C	1776119711	JLAQCFBEJILDIH-PLOHRWSOSA-N	316.361	1.720	50	20	DDGD	
CN(C)C(=O)c1cc(NC(=O)NNc2ncccn2)ccc1F	161941657	IVQCHYLBCCLUOJ-UHFFFAOYSA-N	318.312	1.466	50	20	DDGD	
COc1cccc(CNS(=O)(=O)CCCCCl)c1O	154334161	CXOWHJOYDGLMOU-UHFFFAOYSA-N	307.799	1.839	50	20	DDGD	
CC(C)COC[C@@H](O)CN(C)NC(=O)OCc1ccccc1	859389047	ABCLSMATALOSDD-HNNXBMFYSA-N	310.394	1.793	50	20	DDGD	
O=Cc1cccc(OCCC(=O)NNC(=O)c2ccc[nH]2)c1	109248917	DCPNQGAJHVDRTJ-UHFFFAOYSA-N	301.302	1.057	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C	53576202	QSLCRKQJZRZRHF-UHFFFAOYSA-N	312.238	1.202	50	20	DDGD	
COc1ccsc1C(=O)NNC(=O)COc1ccc(C)cc1	106009734	ZTYYICPMTGNFKD-UHFFFAOYSA-N	320.370	1.905	50	20	DDGD	
Cc1cncc(CNC(=O)NNC(=O)c2ccccc2O)c1	119672494	PADHIRHBYNNPOC-UHFFFAOYSA-N	300.318	1.240	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2cccc(N(C)C)c2)nn1	106336815	ACVXEYUFEGNPRH-UHFFFAOYSA-N	300.366	1.677	50	20	DDGD	
CC(C)CCC(=O)NCC(=O)NNc1ccccc1[N+](=O)[O-]	67148502	FQRMXDFLKORWQQ-UHFFFAOYSA-N	308.338	1.590	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](C)CN2C[C@@H](C)C[C@@H](C)C2)nn1	106335241	OBXAUDHGXGQRDK-MBNYWOFBSA-N	320.441	1.778	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@H]2CCc3ccc(F)cc32)cn1	117966131	UPJQPHZZYLLPRO-ZDUSSCGKSA-N	317.324	1.191	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCc1cccc(F)c1	67457900	ZHNIKZUMWPCXJH-UHFFFAOYSA-N	317.320	1.979	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)COC(C)C)cc1	63664885	YHHDLFPWVKOJDE-UHFFFAOYSA-N	311.407	1.828	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ccc(Cl)nn1)N1CCCC1=O	118496943	MGZMIQRCZQQJHJ-GFCCVEGCSA-N	311.773	1.220	50	20	DDGD	
COCCCCCNC(=O)NNC(=O)c1ccccc1OC	67463013	JULHGMZBMMNVQM-UHFFFAOYSA-N	309.366	1.456	50	20	DDGD	
CC(C)(C#N)C(=O)NNc1nc(Br)cn2ccnc12	176197058	XRXAXOFMFMWVKU-UHFFFAOYSA-N	323.154	1.485	50	20	DDGD	
N#CC(C#N)=CNCCCN1C(=O)NC2(CCCCC2)C1=O	24253803	BLQXSPGARKEDAZ-UHFFFAOYSA-N	301.350	1.152	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)[C@@H]1CCCN(C(=O)C2CC2)C1	118498250	IUKDMJIUKZRWOL-SNVBAGLBSA-N	323.784	1.222	50	20	DDGD	
COC(=O)c1ccc(CCC(=O)NNC(=O)OC(C)(C)C)cc1	68228322	CBULZAFYDPTGBE-UHFFFAOYSA-N	322.361	1.962	50	20	DDGD	
CCNC(=O)COC(=O)/C(C#N)=C/c1ccc(OCC)cc1	21606895	QUWIUGLMDRBWMB-UKTHLTGXSA-N	302.330	1.672	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)NCC(F)(F)F	60411196	IXXLQELOVJBHDE-UHFFFAOYSA-N	314.267	1.534	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1cccc(Cl)n1	124444559	SVPVJYRWFPYBIO-UHFFFAOYSA-N	319.748	1.713	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)C(=O)Nc1cccc(F)c1	125900449	CTBZKILXHIHUOB-UHFFFAOYSA-N	307.325	1.492	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCc1cccnc1	67452663	INOAKVSMKOJFAR-UHFFFAOYSA-N	300.318	1.234	50	20	DDGD	
O=C1CCc2ccc(NC(=O)C(=O)NNc3ccccc3)cc2N1	181274471	ZKRACMYSAYJVTN-UHFFFAOYSA-N	324.340	1.653	50	20	DDGD	
Cc1nn(C(C)(C)C)cc1C(=O)NNC(=O)NCc1ccco1	184207284	NSLKUCLYXSOSRS-UHFFFAOYSA-N	319.365	1.684	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)Cc2ccccc2OC)CC1	78358806	SSKRUDVXSVLBQO-UHFFFAOYSA-N	305.378	1.758	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CNc1ccc(C)cc1C)N(C)C	126353361	IHTMKRXAVUVQQA-AWEZNQCLSA-N	306.410	1.203	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc(OCC(F)F)ccn2)n1	181214821	BTAKWDGSEWYTNS-UHFFFAOYSA-N	323.303	1.889	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)C1=CCCCCC1	185203603	HZINIINVSIDEIC-OAHLLOKOSA-N	316.357	1.864	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NNC(=O)Cc1cccnc1	182635408	WZEJAFMIAKIXJQ-RIYZIHGNSA-N	324.315	1.518	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(C#N)cc2)cc([N+](=O)[O-])c1	129076931	OHAPNPMPPXNCQB-UHFFFAOYSA-N	324.296	1.850	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cc(-n2cnnn2)ccc1C	183880395	AZCKOYWJDAURCK-VIFPVBQESA-N	317.353	1.170	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H](C)n2cnc3ccccc32)n1	30648963	YFLOANDKNQXXQT-JTQLQIEISA-N	312.333	1.539	50	20	DDGD	
O=C1CCc2cc(NC(=O)NNC(=O)c3ccc[nH]3)ccc2N1	183546621	SKQOUZGPCWWZRL-UHFFFAOYSA-N	313.317	1.366	50	20	DDGD	
CC(=O)Nc1cccc(NC(=O)NNC(=O)c2ccc[nH]2)c1C	183538066	QCJAQGICXPIHRR-UHFFFAOYSA-N	315.333	1.748	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NNC(=O)c1cccn1C	184672772	DOYWRHWMZCSLLF-JSGCOSHPSA-N	307.394	1.772	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CC(C)(C)C1(C)C	137815790	WCYLCWXZSHKMBV-UHFFFAOYSA-N	317.433	1.805	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@@H]1Cc2ccccc2O1	132694623	LJEHDVIBUJJDRY-INIZCTEOSA-N	310.353	1.689	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C[C@H]2CC[C@@H](C)C2)c1O	132048595	VRCDOUQSWHSQKB-MNOVXSKESA-N	306.362	1.988	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2cc(C)ncn2)c(F)c1	190135098	QQKYJLNVYOZXDC-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2cccc([N+](=O)[O-])c2)n1	193781621	ODGULVYEAFZOQX-UHFFFAOYSA-N	315.289	1.380	50	20	DDGD	
O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)nc1	46662588	TUNAYAUPPWQNDV-UHFFFAOYSA-N	320.692	1.718	50	20	DDGD	
O=C(CCOCC(F)F)NNC(=O)c1ccc2ccccc2n1	190201730	HAVTUDXPCWVWQL-UHFFFAOYSA-N	323.299	1.668	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@H](C)N1CCCCCC1	91822042	SFUMFAYNPZTPIZ-NSHDSACASA-N	318.512	1.109	50	20	DDGD	
CCCCNC(=O)NNC(=O)CSc1nncn1C(C)C	142581075	OINAMZITWSTBHA-UHFFFAOYSA-N	314.415	1.082	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)NCc2ccco2)C1	266851908	PQFGNYVTBIUROP-GHMZBOCLSA-N	323.349	1.089	50	20	DDGD	
CC(C)n1nccc1C(=O)NNC(=O)COc1ccccc1F	268736195	VYCAPQXWJFDUSC-UHFFFAOYSA-N	320.324	1.443	50	20	DDGD	
CCCCCOCC(=O)NNC(=O)COc1ccccc1O	264543941	OBELNLCLRQCUJB-UHFFFAOYSA-N	310.350	1.125	50	20	DDGD	
CC1CC(NC(=O)NNC(=O)Cc2nc3ccccc3n2C)C1	268000808	INMAVXLFUWMJCK-UHFFFAOYSA-N	315.377	1.245	50	20	DDGD	
O=C(COc1ccc2c(c1)CCCC2)NNC(=O)NC1CC1	268782295	DKXHSYUKNJYBGO-UHFFFAOYSA-N	303.362	1.437	50	20	DDGD	
O=C1COc2ncc(C(=O)NNc3cccc(Cl)c3)cc2N1	369854639	YTUQTLRAPUTOPL-UHFFFAOYSA-N	318.720	1.823	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C[C@@](C)(O)C2CC2)cc1	270492976	UZFFZMNFEPGHAF-QGZVFWFLSA-N	320.389	1.326	50	20	DDGD	
CN(C)CCc1ccc(CNC(=O)NNc2cccnn2)cc1	276116939	FPEHQAWLOPUJFX-UHFFFAOYSA-N	314.393	1.407	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)ccc1F	274247516	TXYVLCQXBWRSAL-UHFFFAOYSA-N	311.313	1.629	50	20	DDGD	
Cc1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)CC1CC1	274039241	FNSMFDBMJSUBDB-UHFFFAOYSA-N	309.753	1.534	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@@H](OC)C2CC2)o1	279627801	VHSAEXPHMPETIP-AWEZNQCLSA-N	323.393	1.307	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)n1	371099387	MGHAVDCMHDHZOF-MVWJERBFSA-N	321.381	1.315	50	20	DDGD	
COCCc1ccnc(NC(=O)NNC(=O)OC(C)(C)C)c1	287157466	BMRAASOKLGHNCK-UHFFFAOYSA-N	310.354	1.832	50	20	DDGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)C(=O)N1CCCC1	281569602	APOODWABOFQYIR-GVIGZQTCSA-N	315.348	1.860	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(F)n1)c1nnc2n1CCC2	287340012	LGZJSWWAXUALPH-QMMMGPOBSA-N	305.317	1.146	50	20	DDGD	
C[C@@H](OC[C@H]1CCCO1)C(=O)NNC(=O)Nc1ccccc1	283622361	ASIFNVZRCYDWDK-DGCLKSJQSA-N	307.350	1.423	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	282793047	MFSITCRQIIXLHZ-UHFFFAOYSA-N	301.346	1.130	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)c1cccc2ncccc12	282556813	DJEVLBKVDDXFIN-RWSFTLGLSA-N	313.357	1.809	50	20	DDGD	
N#Cc1cc(Br)ccc1C(=O)NNC(=O)C1CCC1	294463973	CIIZTNXWEARYPV-UHFFFAOYSA-N	322.162	1.882	50	20	DDGD	
CC/C(C)=C/C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	294530430	ZIVXVMQKSRRWQY-JXMROGBWSA-N	322.361	1.830	50	20	DDGD	
COCCN(C)NC(=O)[C@H](C)Cc1ccc(OC)c(OC)c1	297216826	XHOBUYTXYMACRJ-GFCCVEGCSA-N	310.394	1.492	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1ccncn1)Cc1ccccc1	297858643	PDPRGSSJJHCWOE-CYBMUJFWSA-N	301.350	1.360	50	20	DDGD	
CCC(=O)c1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)cc1	802029308	MRLWCFQCVQWNGE-UHFFFAOYSA-N	312.329	1.563	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@H]2CCCN2C)cc1C	291059832	ACOFWNYILVVGPO-CQSZACIVSA-N	305.378	1.709	50	20	DDGD	
CO[C@H](CNC(=O)NNc1ncncc1F)Cc1ccccc1	297623255	BJMMZWHIXJSREF-LBPRGKRZSA-N	319.340	1.500	50	20	DDGD	
CC(C)(C)OC(=O)NNS(=O)(=O)c1ccc(C#N)c(F)c1	291894230	JZOVMCMQDVSQGB-UHFFFAOYSA-N	315.326	1.415	50	20	DDGD	
N#Cc1c(F)cccc1C(=O)NNc1ccc(-n2ccnc2)nn1	804956932	IUQAZMWIZHEGAF-UHFFFAOYSA-N	323.291	1.430	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)COCc2cccnc2)c1	807212277	WEUIPZXSJIHDAU-UHFFFAOYSA-N	315.329	1.528	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@H](c1ccccc1)C(F)F	296641809	BVBSVDFMKWUYST-WDEREUQCSA-N	313.304	1.502	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)CNc1ccccc1OC	295396485	LRIUAZNOYYLENN-ZDUSSCGKSA-N	309.366	1.070	50	20	DDGD	
COc1cccc(NNC(=O)Nc2ccc3nc(C)nn3c2)n1	809897233	KGFZKJSIAAPCHA-UHFFFAOYSA-N	313.321	1.590	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CSC[C@H]2C)c1	807476491	GFYGSNBXWDRRLT-SKDRFNHKSA-N	309.391	1.851	50	20	DDGD	
CCc1c(C(=O)NN(C)CCOC)cnn1-c1ccccc1C	294531227	VHHDADBNKSSFHX-UHFFFAOYSA-N	316.405	1.966	50	20	DDGD	
COc1cccc(C[C@H](O)C(=O)NCCSSC)c1	803478143	ARXXGLFSOICUEZ-LBPRGKRZSA-N	301.433	1.726	50	20	DDGD	
CCc1nnc(CNC(=O)NNc2nc(C)cc(C)n2)s1	290868621	FIYNOSSJCKTIMP-UHFFFAOYSA-N	307.383	1.334	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@H](F)C(F)(F)F	809981351	HSPSAWJLNGJYNJ-VIFPVBQESA-N	312.650	1.930	50	20	DDGD	
C[C@H]1C[C@H](C)CN(CCCCNC(=O)NNc2ccncn2)C1	296307086	KQSMSSSPFCLPOW-KBPBESRZSA-N	320.441	1.861	50	20	DDGD	
CN(C)CC(=O)NNC(=O)C1(Cc2cccs2)CCCCC1	290449237	LSLBBGRGBNQEPX-UHFFFAOYSA-N	323.462	1.950	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1ccc2nc[nH]c2n1	803434224	YSUBKDBEZLLQFP-UHFFFAOYSA-N	320.312	1.556	50	20	DDGD	
COC(=O)NNC(=O)c1ccccc1OCc1c(C)noc1C	298137870	GVTJRAAMFCOOPT-UHFFFAOYSA-N	319.317	1.871	50	20	DDGD	
CCCN(CCC)C(=O)CCC(=O)NNc1ncncc1F	293944536	IPLHJRKVOUUVSK-UHFFFAOYSA-N	311.361	1.488	50	20	DDGD	
CCc1ccc([C@H](O)CNC(=O)NNC(=O)C2CCCC2)cc1	805351026	BHNCJRODPOMMNK-OAHLLOKOSA-N	319.405	1.803	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(C(=O)OCC)cc1	810549455	LDQZOTKXRLXDDN-UHFFFAOYSA-N	307.375	1.158	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2CCO[C@@H](C(F)(F)F)C2)n1	814753068	MYILLUVDKQDDRO-LLVKDONJSA-N	318.299	1.713	50	20	DDGD	
Cc1nc2ccc(NC(=O)C(=O)NNc3ccccc3C)cn2n1	810393264	OZGWVOKEYGKMCD-UHFFFAOYSA-N	324.344	1.428	50	20	DDGD	
CON1CCC(NC(=O)NNc2cccc(F)c2F)CC1	817805418	PXEYESPEPNZTFV-UHFFFAOYSA-N	300.309	1.617	50	20	DDGD	
N#Cc1ccsc1NC(=O)C(=O)NNc1ccc(Cl)nc1	815602076	NHXYPVASOOSKSL-UHFFFAOYSA-N	321.749	1.750	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)/C(F)=C\C1CCCCC1	814542595	KUBCALWXNPYQLU-QSARLWQPSA-N	314.357	1.909	50	20	DDGD	
CC(=NNC(=O)c1ccc(O)c(O)c1)c1cc(N)ccc1F	814920386	MJZVZSCRFUYPNG-UHFFFAOYSA-N	303.293	1.973	50	20	DDGD	
COC(=O)[C@H]1C[C@H]2CC(=NNC(=O)c3ccc(O)c(O)c3)[C@H]1C2	817327629	MZWZBNIYZHBDGL-LSJOCFKGSA-N	318.329	1.403	50	20	DDGD	
COc1ccc(NC(=O)NN=Cc2ccccc2C(N)=O)cc1	814999148	MQMUASNPIOAHRR-UHFFFAOYSA-N	312.329	1.950	50	20	DDGD	
CC(C)C(=O)NNC(=O)C1CCC(OC[C@@H]2CCCO2)CC1	814734881	WRMJLKAKTXYKDL-RUXDESIVSA-N	312.410	1.544	50	20	DDGD	
CCOc1ccc(NNC(=O)c2cncc(-n3ccnn3)c2)cc1	817882226	FBFSRGUQJSCCMA-UHFFFAOYSA-N	324.344	1.818	50	20	DDGD	
O=S(=O)(CCl)N1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1	819915226	DOJBZRJTMMSCGQ-GHMZBOCLSA-N	310.202	1.974	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)c1ccccc1O	727691932	FYUFTONOBRIPHF-UHFFFAOYSA-N	321.427	1.805	50	20	DDGD	
CCN(CCO)NC(=O)c1cnn(CC(C)C)c1C(F)F	823869604	MEGBMMOUHQRZAU-UHFFFAOYSA-N	304.341	1.436	50	20	DDGD	
CC(=NNC(=O)Cc1cccnc1)c1ccc2nc(O)[nH]c2c1	728785936	AAFWUVYUCINJIW-UHFFFAOYSA-N	309.329	1.746	50	20	DDGD	
CCN(CCO)NC(=O)c1cccc(F)c1Br	823889099	ICNJINNQVYJDFG-UHFFFAOYSA-N	305.147	1.547	50	20	DDGD	
C#CCN(C)CCCNC(=O)[C@H](Br)C(C)(C)C	491495337	IOLAVIUVQGNKTG-NSHDSACASA-N	303.244	1.867	50	20	DDGD	
CC[C@H](C)c1nc(C)c(CC(=O)NN(C)[C@H](C)CO)c(C)n1	823913345	SBHAJNQHDWEBHC-WDEREUQCSA-N	308.426	1.493	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@@H]1CCC(F)(F)C1	826676391	CGFBSSZFDJSXDA-IVZWLZJFSA-N	305.325	1.177	50	20	DDGD	
CC/C=C(/C)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C	491498642	JVDWKXBCXLGUIO-YFHOEESVSA-N	314.386	1.198	50	20	DDGD	
CCOC(=O)c1cc(C(=O)NNc2cccc(OC)n2)[nH]c1C	828077363	JZTGDDPNIKJKJM-UHFFFAOYSA-N	318.333	1.660	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(Br)ccc1O	823977543	ZJRSSDABNHYNLA-SSDOTTSWSA-N	303.156	1.112	50	20	DDGD	
COC(=O)NNC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1O	495449290	VXKDGJDBEDLZDQ-UHFFFAOYSA-N	318.333	1.702	50	20	DDGD	
COC[C@H](NCc1cccc(B(O)O)c1)c1cccc(Cl)c1	585040450	FMRVWUUEWHZXKR-INIZCTEOSA-N	319.597	1.497	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@]1(C(=O)OC(C)(C)C)CC1(C)C	823955737	IOHHCORSNFJTRP-HNNXBMFYSA-N	313.398	1.485	50	20	DDGD	
C[C@@H](NCc1ccc(B(O)O)o1)c1ccccc1C(F)(F)F	585026360	MMZAICADXWHZEK-SECBINFHSA-N	313.084	1.829	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1CC(=O)N(C(CC)CC)C1	729343183	KVQAEFYAMDTJQT-LLVKDONJSA-N	312.414	1.154	50	20	DDGD	
CC(C)CCN1C(=O)C(=NNC(=O)CN(C)C)c2ccccc21	727649102	CTDVDJAIWUDGFJ-UHFFFAOYSA-N	316.405	1.461	50	20	DDGD	
C=CCC[C@H](CO)NC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	491127090	AGXUODSYRPXUSS-XIEDVDOYSA-N	312.373	1.555	50	20	DDGD	
CC[C@H](C)n1ncc2c(C(=O)NN(C)[C@H](C)CO)cc(C)nc21	823964515	AXTKFDLBFSJFBX-NWDGAFQWSA-N	319.409	1.668	50	20	DDGD	
Cn1nccc1/C=C(\C#N)C(=O)NCc1ccc(F)c(F)c1	490664828	VRUMZICLZDVRGF-YRNVUSSQSA-N	302.284	1.922	50	20	DDGD	
CO[C@](C)(CNCc1ccc(B(O)O)cc1F)c1ccccc1	585043559	NUFFHRNPICDBLA-QGZVFWFLSA-N	317.169	1.157	50	20	DDGD	
O=C(CCCOc1ccc(F)cc1F)N1CC[C@@H](B(O)O)C1	585077654	SQHJSTZTGGWRGI-SNVBAGLBSA-N	313.109	1.199	50	20	DDGD	
CCCNC(=O)NNC(=O)Cc1ccc([Si](C)(C)C)cc1	822799882	LDDZJDAKMDLPJI-UHFFFAOYSA-N	307.470	1.515	50	20	DDGD	
CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NNc2ncccn2)C1	497197877	VAAPWZIQNYGBBK-JTQLQIEISA-N	319.365	1.177	50	20	DDGD	
CNC(=O)CC1CCN(C(=O)[C@@]2(C)C[C@@H]2Br)CC1	906877158	BHGUZXBKNNQRMJ-GWCFXTLKSA-N	317.227	1.535	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1ccc2c(c1)OCC(=O)N2C	490877476	MERXGGGRTIQGQV-NTMALXAHSA-N	301.302	1.424	50	20	DDGD	
CCO[C@@H]1CCCC(=NNC(=O)Cc2cc(O)nc(S)n2)C1	905431998	MIPVEBCBWIEUQK-LLVKDONJSA-N	324.406	1.465	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)[C@@H](C)CN2CCOCC2)C1(C)C	736426952	IYNYZTOWJAXJTI-JSGCOSHPSA-N	311.426	1.262	50	20	DDGD	
CCCN1CCCN(C(=O)[C@@]2(C)C[C@@H]2Br)CC1=O	907665173	LDQNKGUHRAPNTP-GWCFXTLKSA-N	317.227	1.631	50	20	DDGD	
C[C@H]1OC(=O)N[C@@H]1C(=O)NNc1ccc(OC(F)F)cc1	496765712	YQFGEPKRHJEFLF-MUWHJKNJSA-N	301.249	1.228	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(=O)n(-c2cccc(F)c2)c1	493201950	QBGDUEZYTCZJKW-UHFFFAOYSA-N	319.292	1.368	50	20	DDGD	
O=C(/C=C\[C@@H]1CCOC1)NNC(=O)CCOc1ccccc1	492954882	IRTSETSVMSJBEN-FMFIFOJESA-N	304.346	1.196	50	20	DDGD	
CC(=NNC(=O)Cc1ccccn1)c1ccc(-c2nn[nH]n2)cc1	735446862	HECRMBJHXXHCRH-UHFFFAOYSA-N	321.344	1.345	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ncoc2C(C)C)cc1	731875492	GCGZIURAQGJVLQ-UHFFFAOYSA-N	316.361	1.980	50	20	DDGD	
CN(c1ccccc1)c1ccc(CN2CC[C@@H](B(O)O)C2)cn1	585077221	SOENCAQZRAFXBD-OAHLLOKOSA-N	311.194	1.898	50	20	DDGD	
C[C@@H](C(=O)N1CC[C@@H](B(O)O)C1)c1ccccc1C(F)(F)F	585067841	WBHVSPYRJVDMNI-NXEZZACHSA-N	315.100	1.884	50	20	DDGD	
CCO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)Cc1ccc(F)cc1	836662240	DBANFQLWYDEMSN-ZIAGYGMSSA-N	323.368	1.656	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCn2cc(C)cn2)c(F)c1	837209332	JNSSORJLWXTVCG-UHFFFAOYSA-N	320.324	1.651	50	20	DDGD	
CSSCCNC(=O)N1CC[S@](=O)C(C)(C)CC1	838589098	YPKHQNHIIFXRPA-SFHVURJKSA-N	310.510	1.940	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2ccc3ccccc3c2)CCO1	836225940	WBENLYZDHYMARW-GFCCVEGCSA-N	313.357	1.915	50	20	DDGD	
O=C(NNC(=O)C1CCSCC1)c1ccc2c(c1)OCO2	732949056	DDGMCQVHWSZKOY-UHFFFAOYSA-N	308.359	1.320	50	20	DDGD	
O=C(CNc1cccc(C(F)(F)F)c1)NNC(=O)NC1CC1	733139308	LSEAFVUZYBXIAN-UHFFFAOYSA-N	316.283	1.610	50	20	DDGD	
C[C@H]1CC[C@H](CNC(=O)NNC(=O)CCc2ccccc2)O1	838744486	KSDKSADLVHWQTB-GXTWGEPZSA-N	305.378	1.517	50	20	DDGD	
C[C@]1(CNC(=O)NNc2cc(F)c(F)cc2F)CCC(=O)N1	838732382	DBNQSUUFXYYBEF-CYBMUJFWSA-N	316.283	1.399	50	20	DDGD	
CCN(C(=O)c1cccc(B(O)O)c1)[C@@H]1CCc2ccccc21	585009901	HCKDRCRLSXVTLX-QGZVFWFLSA-N	309.174	1.516	50	20	DDGD	
CCOC(=O)C1CCN(C(=O)[C@@]2(C)C[C@H]2Br)CC1	905044661	WTBYNSPHKUCALD-MFKMUULPSA-N	318.211	1.962	50	20	DDGD	
CSc1cnn(-c2ccccc2)c1NC(=O)NNC(=O)O	832790859	YNGWLLDQYJYQEX-UHFFFAOYSA-N	307.335	1.898	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H]2CC[C@@H](C)O2)c1	838745919	QZFARFWPPONBBM-ZWNOBZJWSA-N	307.350	1.667	50	20	DDGD	
COc1ccccc1OCCNC(=O)NNc1ccc(C)nn1	730021354	FFIGMDRAYVZNEI-UHFFFAOYSA-N	317.349	1.499	50	20	DDGD	
CCc1nc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)sc1C	831506870	YYHXJRKPEAJGOS-IONNQARKSA-N	312.395	1.592	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)[nH]1	731865427	JRWSQCHYVATGGO-MRVPVSSYSA-N	306.297	1.086	50	20	DDGD	
COCCN(C)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1	837626215	GCEDLTUXZXPMDB-UHFFFAOYSA-N	319.321	1.004	50	20	DDGD	
O=C([C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F)N1CC[C@H](B(O)O)C1	585063529	BKAGBCGZCHKIJL-ULOBAINLSA-N	319.132	1.676	50	20	DDGD	
COCCN(C)NC(=O)c1cc(OCc2ccccc2)ccn1	837622549	BIMGROUUCMLWRT-UHFFFAOYSA-N	315.373	1.884	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1CNC(=O)NNC(=O)COc1ccccc1F	836190986	DRUIEXCFNUFYDO-RYUDHWBXSA-N	323.368	1.827	50	20	DDGD	
C[C@H]1C[C@@H](CNC(=O)NNc2cccc(C(=O)O)c2)CCO1	833594945	GWTCLOBLEVXNOV-QWRGUYRKSA-N	307.350	1.826	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2ccc(Cl)cc2O)CCCCO1	839556522	ZXMLZZWYPMCICI-CQSZACIVSA-N	312.753	1.766	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(OC(C)C)c1	835228475	UVHPEJJJBIDPKX-NSHDSACASA-N	321.377	1.606	50	20	DDGD	
CC1(C(=O)NNc2ccccc2S(C)(=O)=O)CCOCC1	732302877	SNMLRYKRNMBDFB-UHFFFAOYSA-N	312.391	1.350	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@]2(C)CCCCO2)cc1	837658271	IRSUEJRMPWAANU-KRWDZBQOSA-N	320.389	1.734	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@](C)(OC)C2CC2)cc1F	837054332	XPRCRIRZLZPYPT-HNNXBMFYSA-N	310.325	1.871	50	20	DDGD	
C[C@@]1(C(=O)NCC2CC3(C2)OCCO3)C[C@H]1Br	832177394	YFEUZOJVDKPHAO-MWLCHTKSSA-N	304.184	1.429	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=C1C[C@@H](C)n2ccnc21	834934562	OIKCRHMQGIKKGP-CHWSQXEVSA-N	303.410	1.790	50	20	DDGD	
CC1(C)CN(CC(F)(F)F)CCN1S(=O)(=O)CCl	831033522	XNIANTLVUCWEIP-UHFFFAOYSA-N	308.753	1.471	50	20	DDGD	
CC(C)C(=O)NCCCNC(=O)NNc1cccc(C(=O)O)c1	833463934	TZSJRPQVKJFRGQ-UHFFFAOYSA-N	322.365	1.173	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)COc1cccc(Br)c1	910181578	AOKQRNLMGKMNSN-VIFPVBQESA-N	317.183	1.172	50	20	DDGD	
Cc1cccc(C)c1OCCC(=O)NNC(=O)c1ccncc1	914707158	DFXQVRUFTQZPMX-UHFFFAOYSA-N	313.357	1.929	50	20	DDGD	
CNc1nc(C)ccc1C(=O)NNC(=S)N[C@@H](C)C1CC1	912160735	ODLAVNIMSSIKLU-VIFPVBQESA-N	307.423	1.339	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1C(=O)Nc2c(C)ccc(C)c21	748260750	XPBGQNDZXPRPJS-LLVKDONJSA-N	319.361	1.127	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H](C)CS(C)(=O)=O	746845530	ZXQRTVIYLHQUNT-QMMMGPOBSA-N	317.319	1.190	50	20	DDGD	
CC[C@](C)(N[C@@H](C)C(=O)NNC(=O)CC(C)C)C(F)(F)F	746483219	LZHPJUCRZRVTQW-CABZTGNLSA-N	311.348	1.889	50	20	DDGD	
O=Cc1ccc(C(=O)NNC(=O)Cc2cccc3ccccc23)[nH]1	749880622	VSCSMWLORPMBGH-UHFFFAOYSA-N	321.336	1.984	50	20	DDGD	
CCC[C@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1	744771981	HKPNABKMKDZSED-NSHDSACASA-N	317.345	1.299	50	20	DDGD	
Cc1cc(Br)cc(C(=O)NN(C)C[C@@H](C)O)c1	910159833	LPWQZXHOEVANBR-SECBINFHSA-N	301.184	1.715	50	20	DDGD	
CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)C1C(C)(C)C1(C)C	746565133	OTDHGUYRCHWPEH-JTQLQIEISA-N	315.439	1.531	50	20	DDGD	
COc1ncccc1C(=O)NNc1oc(C(C)C)nc1C#N	746523054	WDKPSPHNGDRAES-UHFFFAOYSA-N	301.306	1.830	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCOc1cccc(F)c1	843647385	YOVHLWKQWQRFQY-MFKMUULPSA-N	310.325	1.167	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1	910152856	VOHGVYOMSLMLMZ-ZYHUDNBSSA-N	315.414	1.024	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2c(c1)CC(C)(C)O2	843661194	YNSWSGABCMIWBY-ZWNOBZJWSA-N	318.373	1.586	50	20	DDGD	
C[C@@H]1CC[C@H](CCC(=O)NNC(=O)c2ccc3c(c2)OCO3)O1	743284506	LDPJFLQKLLOPLO-ZYHUDNBSSA-N	320.345	1.524	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(CN2CCCCC2)cc1	910149637	HSBDMYJSXDRQCE-AWEZNQCLSA-N	305.422	1.630	50	20	DDGD	
CCC/C=C\C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	919242670	KSLLTRDPMCPBTI-WAYWQWQTSA-N	304.346	1.656	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCN(C)c2ccccc21	843977104	FSKDKKBDZSKJKZ-SGMGOOAPSA-N	317.389	1.183	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)N[C@@H]1CCCNCC1	841979970	ZPUWRUOKJLMWSK-LLVKDONJSA-N	322.434	1.323	50	20	DDGD	
CCNCCNC(=O)NNC(=O)Nc1ccc(C)cc1Cl	841934791	KQEZPWYDZQOIDC-UHFFFAOYSA-N	313.789	1.594	50	20	DDGD	
O=C(NCCCOCc1ccccc1)NNC(=O)c1ccc[nH]1	916212532	OLNRYBWJOYYKFO-UHFFFAOYSA-N	316.361	1.566	50	20	DDGD	
O=C(/C=C\c1ccco1)NNC(=O)CCOc1ccccc1	747182697	ZIQKJSDJJRSVKK-HJWRWDBZSA-N	300.314	1.909	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc(C#N)cc2)CS1	840417884	RFYKHWOXJUTOIP-CABZTGNLSA-N	304.375	1.396	50	20	DDGD	
O=C(O)Nc1cccc(C(=O)NNC(=O)NCc2ccco2)c1	740034769	ZZNGJBVBFHHIGL-UHFFFAOYSA-N	318.289	1.514	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)[C@]12CCC(=O)N1CCS2	748561686	YJUCNXRFIPXTRY-CQSZACIVSA-N	309.366	1.643	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)cc(OC)c1O	842558747	YZFGTYOJNSIPGK-MWLCHTKSSA-N	308.334	1.285	50	20	DDGD	
CO[C@]1(C)CC(=NNC(=O)Cc2cc(O)nc(S)n2)C1(C)C	746564999	NJUPPTIJBYDZCR-CQSZACIVSA-N	324.406	1.321	50	20	DDGD	
Cc1cccc2c1CC[C@H]2NC(=O)NNC(=O)Cc1ccncc1	747582695	UWTZYKPOZKNYNG-MRXNPFEDSA-N	324.384	1.950	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@]1(c2ccccc2)CCC(=O)NC1	847345744	MHOKFUAXRGQIPM-KRWDZBQOSA-N	317.389	1.028	50	20	DDGD	
CCc1cc(CNC(=O)NNC(=O)c2ccccc2O)on1	741423886	ICXGZEOTMVRGNY-UHFFFAOYSA-N	304.306	1.087	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)Cn2nc3n(c2=O)CCCC3)c1	845856497	LHESGJBPOMJVTA-UHFFFAOYSA-N	315.377	1.141	50	20	DDGD	
CCC(=O)C1(C(=O)NNc2ncc(Br)cn2)CC1	848322879	QVVUDCSLPXKBLV-UHFFFAOYSA-N	313.155	1.442	50	20	DDGD	
CC(C)OC(=O)[C@H](C)CNC(=O)NNC(=O)CC(C)(C)C	745905448	JTCVNMQSPQNRIC-SNVBAGLBSA-N	301.387	1.341	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CCCNCC2)c1F	841979751	VWBNOWOSWPMZCR-JTQLQIEISA-N	324.356	1.381	50	20	DDGD	
C=CCNC(=S)NNC(=O)C[C@@H](C)Cc1cccc(OC)c1	929242839	OUYUXBVNBDHCRZ-LBPRGKRZSA-N	321.446	1.945	50	20	DDGD	
CCc1ccc(NC(=O)NN(C)C(=O)N2CCNCC2)cc1	841008518	SADIBSSGCLAJCC-UHFFFAOYSA-N	305.382	1.243	50	20	DDGD	
CCC(=O)Nc1cccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	843647947	VJNICIANXOAKOD-ZWNOBZJWSA-N	319.361	1.221	50	20	DDGD	
Cn1cc(C(=O)C(=O)NNc2ccc(C#N)c(Cl)c2)cn1	753317259	SYZYFPPNCFYUSV-UHFFFAOYSA-N	303.709	1.271	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C2(C(C)C)COC2)c1	929245103	TYQRQZCHEODAAF-UHFFFAOYSA-N	306.362	1.194	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)NC[C@H](C)OC	852529107	DRHDMEVSQFLWRE-QMMMGPOBSA-N	315.757	1.328	50	20	DDGD	
CC(C)CN1C[C@@H](C(=O)NNc2ccc(Cl)cn2)CC1=O	856094973	BYQOOLUAVBEEGA-JTQLQIEISA-N	310.785	1.683	50	20	DDGD	
C[C@]1(CN[C@@H](Cc2ccccc2)C(N)=O)C[C@@H]1Br	857247591	YPWGSPCCPFHTCW-SGMGOOAPSA-N	311.223	1.846	50	20	DDGD	
Cc1cc(C)c2c(c1)OCCC2=NNC(=O)C(=O)NC(C)C	920373275	WHOHZNMTFPLCJQ-UHFFFAOYSA-N	303.362	1.431	50	20	DDGD	
C[C@]1(CNC(=O)C[C@H]2CSCCN2)C[C@H]1Br	857007437	LMDUMKMDMDCCGX-IQJOONFLSA-N	307.257	1.371	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)c1cc(OC)cc(OC)c1)C1CC1	858136710	ZBTTYDYYVPNILS-AWEZNQCLSA-N	322.361	1.280	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)c2cccc([N+](=O)[O-])c2)cn1	920986431	GYINNKITSSPDFJ-UHFFFAOYSA-N	301.306	1.965	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)OCC(F)(F)F)ccc1O	856019138	QHSGVEGRVHRFQG-UHFFFAOYSA-N	306.240	1.888	50	20	DDGD	
C[C@]1(CNC(=O)N2CCCC[C@@H]2CN)C[C@@H]1Br	857105529	MUOKMZLTTJKZLF-JFGNBEQYSA-N	304.232	1.683	50	20	DDGD	
CC(C)n1ccnc1C=NNC(=O)COc1ccccc1C#N	853271783	JQJCEPLTJPRJQL-UHFFFAOYSA-N	311.345	1.865	50	20	DDGD	
CCCN1C[C@H](C(=O)NC[C@]2(C)C[C@@H]2Br)CC1=O	857386840	ZQRNMFLMMBUBQP-NRUUGDAUSA-N	317.227	1.535	50	20	DDGD	
C[C@]1(CNC(=O)NC2(CO)CCCC2)C[C@@H]1Br	856951947	ADWJPVJFORDAGF-GXSJLCMTSA-N	305.216	1.764	50	20	DDGD	
Cn1ncc(C2CC2)c1CNC(=O)NNC(=O)c1ccccc1	851936093	VUYSJOKSEOCXOR-UHFFFAOYSA-N	313.361	1.442	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H]2CCCCNC2=O)C[C@@H]1Br	856717893	HABRDWBXHOKKPX-VDDIYKPWSA-N	318.215	1.128	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Cc1cccc(F)c1F	755300787	FXDPUDALKLCMEX-UHFFFAOYSA-N	320.295	1.977	50	20	DDGD	
COC(=O)C1CCC(=NNC(=O)c2ccnc(N(C)C)c2)CC1	754945064	QPSMFBHBDSZRNY-UHFFFAOYSA-N	318.377	1.597	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNc1ccc([N+](=O)[O-])cc1F	855626371	BYUIMWVGTNREEG-QMMMGPOBSA-N	313.285	1.766	50	20	DDGD	
CC(C)n1ncc(C(=O)NNc2ncnc3ccsc23)c1N	758363538	UCTDQUYVEKEMKQ-UHFFFAOYSA-N	317.378	1.808	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(F)(F)c2nccs2)o1	756842142	VBAGIXXDYPATHU-UHFFFAOYSA-N	301.274	1.598	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1cc2ccccc2o1	920862722	YXMQTLHCPLWAJC-UHFFFAOYSA-N	305.334	1.342	50	20	DDGD	
C[C@]1(CNC(=O)CNc2ccc(C#N)cn2)C[C@H]1Br	857732860	DLQASWBDSUCSCW-ZWNOBZJWSA-N	323.194	1.655	50	20	DDGD	
C[C@H](C(=O)NNc1cc(F)cc(Cl)c1)N1CCN(C)CC1	855618763	QDNZNDWRGRCPJH-SNVBAGLBSA-N	314.792	1.558	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)NC1CCN(C2CCC2)CC1	856914041	STCWIIICZGUCTI-UHFFFAOYSA-N	324.816	1.773	50	20	DDGD	
CCn1nccc1C=NNC(=O)c1cc(Br)c[nH]1	753694767	IXVLKJQFUVHZJX-UHFFFAOYSA-N	310.155	1.758	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(NC(=O)COC)cc1	755637746	IGUDRTIFYAILAV-SNVBAGLBSA-N	322.365	1.470	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cccc(CC#N)c1)C1CC1	855102016	DQVVJMGPBKAJPX-JTQLQIEISA-N	302.403	1.660	50	20	DDGD	
Cc1nc(SCC(=O)NC[C@]2(C)C[C@@H]2Br)n[nH]1	857396522	DBUMACUMFRLPOJ-XVKPBYJWSA-N	319.228	1.495	50	20	DDGD	
NCc1ccc(CNS(=O)(=O)CBr)c(F)c1	850588833	GLWOBEYRVXBNAE-UHFFFAOYSA-N	311.176	1.056	50	20	DDGD	
CC[C@@H](CC(=O)NNc1cnnn1C)c1ccc(OC)cc1	857273402	OXGKBXQQMKHPLG-NSHDSACASA-N	303.366	1.851	50	20	DDGD	
CNS(=O)(=O)C[C@H]1CCCN1/C(=C\C#N)c1ccc(F)cc1	750800931	IYODGTLNECDHAD-QVTJDRNWSA-N	323.393	1.704	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)c2ccc(C#N)cc2)[C@H]1C	858918250	DRMGEUQZVZMEEY-DYNIEEOBSA-N	301.346	1.379	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)Cc1ccc(C)o1	753887989	TXBSKMPYJGOPSD-UHFFFAOYSA-N	318.329	1.366	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccc(N2CCCC2=O)cc1	755473175	NJUDWXORUFGDMF-UHFFFAOYSA-N	316.361	1.766	50	20	DDGD	
COCCN(C)NC(=O)C(F)(F)c1cnc(Cl)c(C)c1	935910296	DZZMQTRAXCASRL-UHFFFAOYSA-N	307.728	1.745	50	20	DDGD	
CC(C)Cn1[nH]c(CC(=O)NNc2cc(Cl)ccn2)cc1=O	935275389	YWINZHAHLZSEID-UHFFFAOYSA-N	323.784	1.567	50	20	DDGD	
N#CCOc1cc(F)ccc1NCc1ccccc1B(O)O	864008363	BGKZBTNBKRXMSP-UHFFFAOYSA-N	300.098	1.020	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)NCCn1cccc1	765823422	GASRUBQARJWGQO-UHFFFAOYSA-N	322.390	1.218	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H]2COCCN2C2CCCC2)n1	862520867	NFHCLXDTAQGVSK-CQSZACIVSA-N	304.394	1.477	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1cc(Cl)ccc1F	763820532	KVGFRLWRPPPIBM-UHFFFAOYSA-N	301.705	1.221	50	20	DDGD	
C[C@H](C(=O)NN[C@H](C)C(F)(F)F)n1nnnc1C(C)(C)C	862316128	LOYWUKWNSQYJBN-RNFRBKRXSA-N	308.308	1.103	50	20	DDGD	
O=C(CN1CCCC[C@H]1c1ccccc1)NNC(=O)C1CC1	762635211	SXVVYYJFTWWPBQ-HNNXBMFYSA-N	301.390	1.771	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCSC1)c1cc(-c2ccccc2)on1	761847815	CKCRVKZQQDMRPL-NSHDSACASA-N	317.370	1.856	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)[C@H]1[C@H]2c3ccccc3C[C@H]21	863881731	UXKCIAACRGIAET-GRYCIOLGSA-N	306.329	1.382	50	20	DDGD	
CN([C@@H]1CC(C)(C)OC1=O)S(=O)(=O)CC(C)(C)CCl	864495893	CQRGRBKANLMJSF-SECBINFHSA-N	311.831	1.607	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=Cc1cccc(C2CCCC2)c1	863183705	LNJDNCYGNSGSSF-UHFFFAOYSA-N	308.403	1.839	50	20	DDGD	
COC(=O)c1ccncc1OS(=O)(=O)CC(C)(C)CCl	866966335	DISRALGGNBBXPY-UHFFFAOYSA-N	321.782	1.842	50	20	DDGD	
CCn1nc(C(=O)NN=C(C)[C@@H](C)OC)c2ccccc2c1=O	763141826	XRTUJZOMONSYGK-LLVKDONJSA-N	316.361	1.557	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1N(C)C	769569893	LSOHLZABKWRTHV-GFCCVEGCSA-N	323.418	1.028	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cncc(Cl)n2)c1	760867474	QAOWXNFTUKDETR-UHFFFAOYSA-N	306.709	1.674	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NN[C@@H](C)C(F)(F)F)cc1	862313622	KYSRONYIVMWEBK-ZETCQYMHSA-N	305.256	1.205	50	20	DDGD	
CCO[C@H](CC(=O)NNC(=O)CCc1ccccc1O)C(C)C	760844151	JFEJWOXMJAZKSH-OAHLLOKOSA-N	322.405	1.923	50	20	DDGD	
Cn1ccc(CCNC(=O)NNc2cc(F)c(F)cc2F)n1	761010612	MXMFCNGXTLAPAZ-UHFFFAOYSA-N	313.283	1.706	50	20	DDGD	
CC(=NNC(=O)COc1cc(C)cc(C)c1)c1ccnn1C	765993274	LDXIFSZATHZPHK-UHFFFAOYSA-N	300.362	1.956	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)CNC(=O)c1ccncc1	771688883	RMWVEURQIJNUSF-UHFFFAOYSA-N	302.309	1.402	50	20	DDGD	
CCC(=NNC(=O)NCC(=O)OC)c1cccc([N+](=O)[O-])c1	779821429	VTRTZIYCLSLKIB-UHFFFAOYSA-N	308.294	1.181	50	20	DDGD	
O=C(NNc1cccc2cnccc12)[C@H]1CCCCS1(=O)=O	773468377	NOEYAEYWDJJBFH-CQSZACIVSA-N	319.386	1.645	50	20	DDGD	
CC[C@@H](C)[C@@H](NC(=O)NNC(=O)c1cccnn1)C(F)(F)F	879383523	NPAVLQFZRDXPBX-VXNVDRBHSA-N	319.287	1.398	50	20	DDGD	
O=C(NNc1ccc(F)cn1)c1ccc(N2CCOCC2)cc1	874651179	KQEKHUKYSMKXQP-UHFFFAOYSA-N	316.336	1.814	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@]1(C)CC(c2ccccc2)=NO1	874193429	WNLWVOZTCXAQGT-MRXNPFEDSA-N	318.377	1.700	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@H](F)Cc1ccccc1)C1CC1	777992419	QZGASPWCOGSOOC-ZWNOBZJWSA-N	309.410	1.861	50	20	DDGD	
CC#CCCNC(=O)NNC(=O)COc1ccccc1OCC	776205171	KKJLEXUEWHFUOY-UHFFFAOYSA-N	319.361	1.208	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)C(=O)NN=CC1CCOCC1	771560345	FXPZDBBVNDJDCL-UHFFFAOYSA-N	323.780	1.485	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1n[nH]c2c1CCC2	773639317	VWEINGRQNHQSAS-UHFFFAOYSA-N	318.308	1.581	50	20	DDGD	
COC[C@@H](C)NC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	770331479	VXDNAFANCMFBFJ-DGCLKSJQSA-N	323.393	1.436	50	20	DDGD	
Cc1ncc(CCNC(=O)NNC(=O)CC(F)(F)F)s1	772616291	CVLUHTZFFWOFRI-UHFFFAOYSA-N	310.301	1.277	50	20	DDGD	
Cc1ccccc1[C@@H](CO)NC(=O)NNC(=O)c1ccccc1	778592499	LGLKKIQDYGPWRB-OAHLLOKOSA-N	313.357	1.673	50	20	DDGD	
O=C(NCC(Cl)Cl)c1ccc(CN2CCOCC2)o1	879975946	KMJIHBVAEAFOAM-UHFFFAOYSA-N	307.177	1.645	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCN1CCCc2ccccc21	875192268	PHQCSLOFIQEEMM-UHFFFAOYSA-N	306.366	1.352	50	20	DDGD	
O=C(CO)NN=Cc1ccc(OCc2cccc(F)c2)cc1	776781666	HBEIBCGRNFHSJH-UHFFFAOYSA-N	302.305	1.847	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNc1c(F)cc(F)cc1F	885150659	FNBCEZPLLCXVKL-UHFFFAOYSA-N	305.256	1.682	50	20	DDGD	
C=C(C)[C@@H](CC(=O)NNC(=O)c1ccc(C)c(O)c1)OCC	882048713	DTDIELGJUZSGLL-CQSZACIVSA-N	306.362	1.833	50	20	DDGD	
N#CCOc1cc(F)ccc1NC(=O)NNc1ncc(F)cn1	775671666	YNBOTAMBUXAKQH-UHFFFAOYSA-N	320.259	1.806	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1cccc([N+](=O)[O-])c1C)[C@@H]1CCCO1	776228089	OIKJVMXUHDVTRR-RISCZKNCSA-N	318.333	1.710	50	20	DDGD	
N#CC[C@H](CC(=O)NNC(=O)C1CCOCC1)c1ccccc1	883069780	VXFXITQPOJLMAQ-OAHLLOKOSA-N	315.373	1.648	50	20	DDGD	
CO/C(=C\c1ccccc1)C(=O)NNC(=O)C1CCOCC1	883070718	AUSPUVAXHRQWJT-KAMYIIQDSA-N	304.346	1.248	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2sc(C)nc2C)n1	784842815	ZYJSJIVDNQGKPV-UHFFFAOYSA-N	321.362	1.245	50	20	DDGD	
CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)CBr)C1(C)C	782452518	CNEDKIUIVXJFCM-RKDXNWHRSA-N	314.245	1.804	50	20	DDGD	
COc1ccc([C@H](CCO)NS(=O)(=O)CCCCl)cc1	881913368	NSLDLRJLBAEHHU-ZDUSSCGKSA-N	321.826	1.667	50	20	DDGD	
C#CCCOc1ccc(C(=O)NNC(=O)C2CCOCC2)cc1	883071114	ORARJWQUDGYJID-UHFFFAOYSA-N	316.357	1.276	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)c1cccc(F)n1	783574373	IRBWDDMQLCBZAB-UHFFFAOYSA-N	303.293	1.451	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H]1CCC[C@H](C(N)=O)C1	786697017	QMQVGCHBHOYJJZ-NWDGAFQWSA-N	303.362	1.048	50	20	DDGD	
COCCCNC(=O)NN=C1CC[C@@H](C(=O)O)c2ccccc21	789000343	HMYDPQSRMDWYRH-CYBMUJFWSA-N	319.361	1.688	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)c1nccnc1C	783513848	WHZIABIAAPSJEQ-UHFFFAOYSA-N	317.374	1.117	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cc(C2CC2)n(C)n1	780737026	CTSRATCAYCXPQU-UHFFFAOYSA-N	314.345	1.841	50	20	DDGD	
COc1ncc(C(C)=NNC(=O)Cc2cc(C)[nH]n2)cc1Cl	788975893	RWBBDYYFPYUBND-UHFFFAOYSA-N	321.768	1.858	50	20	DDGD	
COc1cccc(NNC(=O)Nc2ccc(F)c(C(N)=O)c2)n1	780486170	JANARGOGBFPQCR-UHFFFAOYSA-N	319.296	1.477	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(-n3ccnc3)nn2)ccc1F	788177661	IBUWKIGBLQIYID-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
Cc1cc(F)cc(NC(=O)C(=O)NNc2ncncc2Cl)c1	782159498	SQBRZGUZLNWYBI-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
CC1(C)CC[C@H](C(=O)NNC(=O)CNC(=O)c2cccs2)C1	781641911	WLVUKHZGRPATGH-JTQLQIEISA-N	323.418	1.452	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)C(=O)Nc1cnn(C)c1C	799844045	JLVJDMQZGRTTML-UHFFFAOYSA-N	315.377	1.681	50	20	DDGD	
CN1CCC[C@@H]1C(=O)NNC(=O)c1cn(C)c2ccccc12	895521578	JIUXXICXZWJTBC-CQSZACIVSA-N	300.362	1.034	50	20	DDGD	
O=C1NCCC[C@H]1C(=O)NNc1ccnc2cc(Cl)ccc12	895546941	YINMOKZDJVGHIO-LLVKDONJSA-N	318.764	1.858	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CCC(=O)c2cnn(C)c2)n1	795128376	HVHDOFRPTRYXDC-UHFFFAOYSA-N	322.756	1.278	50	20	DDGD	
C[C@H](Oc1ccc(/C=C(\C#N)C(N)=C(C#N)C#N)cc1)C(=O)O	794685672	IQDSSUYKPYHASV-PQTFEYQYSA-N	308.297	1.705	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1ccc(C(=O)N(C)C)cc1	793016485	OPESXPFLFKYLBX-UHFFFAOYSA-N	313.361	1.276	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccn1Cc1cccs1	798306739	UEDDMYBKHJGLHG-UHFFFAOYSA-N	320.443	1.893	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCCN2CCCC2)cc1	1317886298	NMFHTYHCPOOPBB-UHFFFAOYSA-N	320.393	1.125	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=O)c2ccc(OC)cc2)o1	1327772935	LVMYNBYXWUTROD-UHFFFAOYSA-N	303.318	1.629	50	20	DDGD	
COC(=O)C[C@@H](NS(=O)(=O)CCl)c1ccc(C)cc1	1324498664	UTEMMBNEWIXGED-LLVKDONJSA-N	305.783	1.715	50	20	DDGD	
C[C@@H](C(=O)NNc1cncc(Br)c1)c1cnn(C)c1	1324494293	SEOCUYOCTAZTNC-MRVPVSSYSA-N	324.182	1.824	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(C(C)(C)C)nn1)[C@H]1CCOC1	1321312693	KGHKTSVOKJETOS-QWRGUYRKSA-N	307.398	1.825	50	20	DDGD	
O=C(NNC(=O)[C@]1(F)CCOC1)c1ccc(Cl)cc1F	1324086296	CUPPTUGLPOYHFP-LBPRGKRZSA-N	304.680	1.369	50	20	DDGD	
C[C@]1(Cn2nnnc2N2CC[C@@H](F)C2)C[C@@H]1Br	1336185992	KXHWNKNCEANRND-KHQFGBGNSA-N	304.167	1.395	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ncc(C2CCCCC2)s1	1254981580	PIZUNIMJCWOGMW-UHFFFAOYSA-N	312.395	1.726	50	20	DDGD	
CC1CCN(CCC(=O)NN=C2CN(C(C)C)C[C@H]2C)CC1	1252754117	HNNXPGWCVATJMW-OAHLLOKOSA-N	308.470	1.941	50	20	DDGD	
O=C(CCl)N1CCn2c(CCc3ccccc3)nnc2C1	1331233083	HLFHWCYVCRTMFJ-UHFFFAOYSA-N	304.781	1.644	50	20	DDGD	
CCOc1cc(C(=O)NNc2nccc(N(CC)CC)n2)[nH]n1	1331867662	IELSFEUBENBXQR-UHFFFAOYSA-N	319.369	1.202	50	20	DDGD	
O=C(CO[C@H]1CCOC1)NNc1nc2ccccc2[nH]c1=S	1331671471	UQOKOUBYZWYFSK-VIFPVBQESA-N	320.374	1.541	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)Nc1cc(F)c(F)c(F)c1	1331415919	OOSAVWUNHGHIPK-UHFFFAOYSA-N	316.283	1.256	50	20	DDGD	
C=C[C@H](COC)NC(=O)NNC(=O)c1ccc(Cl)cc1F	1338093526	JEWMKBIHINOMJF-SECBINFHSA-N	315.732	1.624	50	20	DDGD	
CC(C)N1C(=O)C[C@H](NC(=O)c2cccc(CCl)c2)C1=O	1335841077	ZVLPDCAFBBXWFV-LBPRGKRZSA-N	308.765	1.691	50	20	DDGD	
NC[C@@H]1CC[C@H](NC(=O)NNC(=O)c2ccccc2Cl)C1	1345152743	DHKSFUJEOZHKHL-ZJUUUORDSA-N	310.785	1.411	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CC[C@@H](c2nn[nH]n2)C1	1347198923	TUNKNZUMHHJUQT-HTQZYQBOSA-N	316.203	1.325	50	20	DDGD	
C=C[C@H](COC)NC(=O)NNC(=O)CCc1ccc(OC)cc1	1342744722	OLCUREYNFXYELA-CYBMUJFWSA-N	321.377	1.159	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CO[C@@H]2CCOC2)c1C	1347848365	ZUXPUXUNCYAHIH-LLVKDONJSA-N	308.334	1.030	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1[C@@H](C)C1(F)F	1350832279	ZSUNFWKVMUHBMP-XCBNKYQSSA-N	308.288	1.305	50	20	DDGD	
O=C(/C=C/c1cc(C(=O)O)co1)NNC(=O)NC1CCCC1	1601233548	MHOMLORLCFFLSB-AATRIKPKSA-N	307.306	1.264	50	20	DDGD	
O=C(O)c1cccc2c1CN(S(=O)(=O)CCCCl)CC2	1608942453	UICMVICRKIRQGN-UHFFFAOYSA-N	317.794	1.702	50	20	DDGD	
COC(=O)c1cccc(CN2CC=C(C#N)CC2)c1-c1nn[nH]n1	1604981125	KHBWXVHSPMRWQG-UHFFFAOYSA-N	324.344	1.309	50	20	DDGD	
N#Cc1cscc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1606389958	XFVJEMPZWBIJDU-UHFFFAOYSA-N	311.330	1.557	50	20	DDGD	
Cc1cc(COCC(=O)NNc2ccc(C(=O)O)cc2F)no1	1600214587	BWFAZQWQZZKRNM-UHFFFAOYSA-N	323.280	1.480	50	20	DDGD	
O=C(NNC(=O)c1cc(C(=O)O)no1)c1cccc(Cl)c1	1601555244	SWUXRVQIXAJNIY-UHFFFAOYSA-N	309.665	1.101	50	20	DDGD	
Cc1ccc(NNC(=O)CNC(=O)C(C)(C)C)cc1C(=O)O	1600462152	FGFIOXMCVMEBFQ-UHFFFAOYSA-N	307.350	1.299	50	20	DDGD	
O=C(O)COc1ccc(NS(=O)(=O)CCCCCl)cc1	1602090941	AFGDODIHSFHXNZ-UHFFFAOYSA-N	321.782	1.911	50	20	DDGD	
Cn1nc(NC(=O)NNc2cccc(C#N)c2)cc1C(=O)O	1601014687	LJOPTHVMVJJZBD-UHFFFAOYSA-N	300.278	1.139	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)c(F)c2)cn1	1600947400	TWLAKBIMJBWNJM-ONNFQVAWSA-N	314.276	1.803	50	20	DDGD	
COCC[C@@H]1CCCC1=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549320657	NAANUKDEEWSIDW-YDHLFZDLSA-N	309.410	1.158	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ccc(F)cc2)c(C(=O)O)[nH]1	1610470922	KIXYPTQFQYCTLD-UHFFFAOYSA-N	320.280	1.242	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cncc(C(=O)O)c2)c(C)o1	1610437106	SPLQFDIXGBLIBL-UHFFFAOYSA-N	303.274	1.064	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@H]2C=NNC(=O)C2CCOCC2)cn1	1552919455	JJJPLCGVXXEAAS-DZGCQCFKSA-N	320.393	1.509	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@@H]1C=NNC(=O)c1cc[nH]n1	1552454866	RHCJJOSMOLLGNB-PWSUYJOCSA-N	302.338	1.027	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H](C(=O)O)C(C)C)c(C)c1	1574374776	BFZRSRIPPBMGOQ-GFCCVEGCSA-N	323.418	1.978	50	20	DDGD	
CC[C@H](NC)C(=O)NNC(=S)Nc1ccc(OC)c(F)c1	1577171919	BCJIXYNCPPWBKL-JTQLQIEISA-N	314.386	1.150	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@H](C)N	1575412638	CUAKXVDIWPFWDO-JBEPLPHGSA-N	321.465	1.970	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@H]1CNC[C@@H]1c1ccc(Cl)cc1	1580740057	USCACOHFFHBFML-CABCVRRESA-N	316.792	1.603	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)CC(C)(C)C#N)o1	1589775093	XIJANAAPAMAKKM-UHFFFAOYSA-N	318.341	1.361	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843365313	JLIUFGYKTSUMIF-DTWKUNHWSA-N	311.184	1.742	50	20	DDGD	
COc1ccccc1NNC(=O)Cc1cccc(-c2nn[nH]n2)c1	1580083785	RYJYSZHLHQJVSS-UHFFFAOYSA-N	324.344	1.561	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H](C)S)C2	1841670533	HNPZYPNHODGGBN-WDEREUQCSA-N	318.870	1.916	50	20	DDGD	
CC1(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CCOCC1	1590120392	NDZCMSIKJIHGHR-UHFFFAOYSA-N	314.349	1.399	50	20	DDGD	
CC(=O)N1CC2(CCCN2C(=O)[C@H](C)CBr)C1	1841286902	HXYSOVDEDCYLPR-SECBINFHSA-N	303.200	1.241	50	20	DDGD	
O=C(/C=C/c1ccc(C(=O)O)o1)NNc1ncncc1Cl	1594672738	RRZZILBAJKCYLD-DUXPYHPUSA-N	308.681	1.578	50	20	DDGD	
C[C@]1(C(=O)NCc2ccnc(C(=O)O)c2)C[C@@H]1Br	1593756383	ORQKQLKSNSTFBD-CABZTGNLSA-N	313.151	1.570	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C(=O)O)c1ccc2c(c1)CCO2	1596863276	PRVZTIJDIBQJIR-TZIYXEQSSA-N	316.313	1.307	50	20	DDGD	
COc1cc(C=NNC(=O)Cc2cccnc2)ccc1C(=O)O	1776043171	RYXHTAGTPNIGCN-UHFFFAOYSA-N	313.313	1.481	50	20	DDGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(C(=O)O)nn1C	1776118237	XCJKCGJZGXUBCU-YRNVUSSQSA-N	310.313	1.972	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)c1ccc(C(=O)O)cc1	1776101258	YUQGTFSRDBBLHY-GFCCVEGCSA-N	303.318	1.159	50	20	DDGD	
C/C=C/C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](Cl)CC)C2)C1	1781219497	NXUJMFOMIVQVSI-NSAARLCDSA-N	314.813	1.410	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1ccnn1CC	161165591	BRNGDDDOEFGUAP-UHFFFAOYSA-N	316.361	1.305	50	20	DDGD	
CC1(C)CCCC[C@@H]1CC(=O)NNc1ccc(C(N)=O)nn1	162408177	KMBNMSNLEQNEDE-SNVBAGLBSA-N	305.382	1.625	50	20	DDGD	
C[C@@H](N(C)CC(=O)NNC(=O)c1cccc(C#N)c1)C1(C)CC1	166332409	BFZLDAYOFBSDAO-GFCCVEGCSA-N	314.389	1.440	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNC(=O)c2cnn(C)c2)cc1	152749274	HRCOYLNFXOYLOB-UHFFFAOYSA-N	316.361	1.168	50	20	DDGD	
CNS(=O)(=O)c1ccc(C(=O)NNc2ccccc2F)cc1	153316767	RNLLYGSXWIYYOV-UHFFFAOYSA-N	323.349	1.491	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)C(=O)NNC(=O)c1ccc(C#N)cc1	154060006	FKOZMYDBVPISAR-SECBINFHSA-N	312.329	1.728	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc(Cl)nc1	154070369	AGHPCLCSZDMYHS-UHFFFAOYSA-N	304.828	1.207	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CCn2cc([N+](=O)[O-])cn2)c1	157429405	CPSMQKXLEBOFFT-UHFFFAOYSA-N	323.284	1.472	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H]2C[C@](C)(OC)C2(C)C)nc1	157467830	LHMAKUVTEWLEGY-NHYWBVRUSA-N	308.382	1.920	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CNC(=O)c2ccco2)c1C	156890293	UKHBCFVVTDQBFG-UHFFFAOYSA-N	315.329	1.087	50	20	DDGD	
CN1CCC(C(=O)N(C)NC(=O)OCc2ccccc2)CC1	862287179	IFBLUXRGHRFDKJ-UHFFFAOYSA-N	305.378	1.628	50	20	DDGD	
O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)[C@H](F)Cl	2088604338	FJJYZTRXEVBQLF-ZDUSSCGKSA-N	314.744	1.561	50	20	DDGD	
CC(C)c1cccc(OCC(=O)NNC(=O)Cc2cc[nH]n2)c1	106452287	BPSNULZQLPLQHA-UHFFFAOYSA-N	316.361	1.302	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc2cc(F)ccc2[nH]1	109860534	JWZMNNDXWGTUOP-UHFFFAOYSA-N	301.281	1.413	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)CNc2ccccc2)n(C)n1	175281923	SGESJJYAPUREKS-UHFFFAOYSA-N	315.377	1.417	50	20	DDGD	
N#CCOc1ccccc1C(=O)NNc1ccc(Cl)nn1	118499032	AQVMTLMEBUTXTH-UHFFFAOYSA-N	303.709	1.789	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCNc1ccccc1[N+](=O)[O-]	55527603	RMRIXQWSIFORSR-UHFFFAOYSA-N	323.378	1.078	50	20	DDGD	
Cc1ccc(F)c(S(=O)(=O)NNC(=O)CC(C)(C)C)c1	103060518	CSGKJMLIOKGMOQ-UHFFFAOYSA-N	302.371	1.880	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1coc(-c2ccccc2)n1	172343554	UVGVGPLXGXKENY-UHFFFAOYSA-N	316.317	1.028	50	20	DDGD	
COc1ccccc1[C@H](C)CC(=O)NNC(=O)c1c[nH]nc1C	110759056	LXXIAETVWAVVDR-SNVBAGLBSA-N	316.361	1.682	50	20	DDGD	
CN(C)CC(=O)NNC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1	113427161	OLFFVKAGSFSKPF-UHFFFAOYSA-N	317.433	1.725	50	20	DDGD	
O=C(Cc1ccccc1)NCC(=O)NNc1ncccc1Cl	114885181	MUAYWYJWBNWDBV-UHFFFAOYSA-N	318.764	1.537	50	20	DDGD	
O=C(NNc1cnccn1)c1ccc(-c2ccccc2)[nH]c1=O	114878931	WLBFJEVYXVDYRS-UHFFFAOYSA-N	307.313	1.589	50	20	DDGD	
CCN(CC)[C@@H](CNC(=O)NNc1ncccn1)c1ccco1	67709149	AZRGMBIZIUOPAS-LBPRGKRZSA-N	318.381	1.779	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1cc(-c2ccncc2)on1	172440114	VLKGMWHNGYNWEV-UHFFFAOYSA-N	316.708	1.937	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnn(-c2ccccc2F)c1C	68454554	GINBLZOPKPCUSJ-UHFFFAOYSA-N	305.313	1.284	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc(-n2cnnc2)cc1	66590770	CBDTXOOCMZRFAB-UHFFFAOYSA-N	303.322	1.437	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccc[nH]2)c(O)nc2ccccc12	175777584	NNYDUIPGRVKUKV-UHFFFAOYSA-N	310.313	1.652	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccc[nH]1)c1ccc(F)cc1F	123183746	UZVWSZCKLOMVCW-MRVPVSSYSA-N	308.288	1.998	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@@H](CCO)CC(C)C)n1	120857308	WEIBMWALVWCGRM-ZDUSSCGKSA-N	309.414	1.764	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc(OCC(F)F)ccn1	182262546	LQJSSFYGSLSQJX-UHFFFAOYSA-N	324.287	1.139	50	20	DDGD	
COc1cccc(CO[C@@H](C)C(=O)NNC(=O)CC(C)C)c1	33226492	YDOPQPJQKRCXHI-LBPRGKRZSA-N	308.378	1.794	50	20	DDGD	
CSCc1noc(CCC(=O)NNC(=O)C(C)(C)C)n1	128335441	GWMOLSUIYDAFFJ-UHFFFAOYSA-N	300.384	1.059	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)nc(C)n1	128960148	DAPHSBNNGPBGHF-GFCCVEGCSA-N	317.393	1.328	50	20	DDGD	
CCc1cccc(NC(=O)C(=O)NNC(=O)CC2CCCC2)c1	125903134	SSMSROIYVKSGPL-UHFFFAOYSA-N	317.389	1.915	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NNC(=O)c2ccc(C)o2)cc1	127293602	QVTUJDXOGSHZQE-UHFFFAOYSA-N	324.358	1.610	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNC(=O)c2cnn(C)c2)cc1C	183404343	RGMPHBCPLUUGHE-UHFFFAOYSA-N	315.333	1.398	50	20	DDGD	
Cc1ccc(C(N)=O)cc1NC(=O)NNC(=O)CC(C)(C)C	184653582	UDWJDYWUAOHVOD-UHFFFAOYSA-N	306.366	1.683	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccncc2)cc([N+](=O)[O-])c1	194377698	FKWAMSHCRYLLDE-UHFFFAOYSA-N	300.274	1.373	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cc2ccc(F)c(F)c2)cc1	87219934	KUJJMIQLHOBCFB-UHFFFAOYSA-N	315.279	1.840	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(NC(C)=O)cc1	192565706	LBTABKLMWRDPOT-ZEVOCZHWSA-N	301.346	1.703	50	20	DDGD	
CC1CCN(CCCNC(=O)NNC(=O)c2ccccc2)CC1	45128060	PZRLBAUEFUKBTH-UHFFFAOYSA-N	318.421	1.753	50	20	DDGD	
Cn1cc(C(=O)NNc2nc3ccccn3n2)c2ccccc21	191882774	OZRLTGDVFRWJON-UHFFFAOYSA-N	306.329	1.978	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C[C@@H]2CCCCO2)c(C)c1	88281745	ABLWHOIWGYXVGO-AWEZNQCLSA-N	319.405	1.822	50	20	DDGD	
CC(C)N(C)c1ccc(/C=C(\C#N)S(=O)(=O)NC2CC2)cn1	195310279	MWADSDDRAVCVOB-RIYZIHGNSA-N	320.418	1.872	50	20	DDGD	
Cn1ccc(C(=O)NNc2ccc(Br)cc2)cc1=O	194150127	MEQPVYXBVAOSFM-UHFFFAOYSA-N	322.162	1.905	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCCOCCOC)cc1	194379284	VRCIDRMUXCMDEP-NTCAYCPXSA-N	318.373	1.771	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1c(F)ccc(F)c1F	191900873	OIZLHSFPDGIYJL-UHFFFAOYSA-N	307.235	1.904	50	20	DDGD	
O=C(C[C@@H]1CCCOC1)NNc1ccc(C(F)(F)F)nn1	193679166	YVEMKZZWNBDYNQ-QMMMGPOBSA-N	304.272	1.755	50	20	DDGD	
COC(=O)CCCCCCCNC(=O)NNc1ncccn1	268463671	VPLZHAYZILISLU-UHFFFAOYSA-N	309.370	1.616	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NNC(=O)C2CCC2)cc1	264698343	JCCXNIDXCCZDLM-GXDHUFHOSA-N	313.357	1.940	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C[C@H]2CCc3ccccc3C2)cn1	265345747	SHGARKJZJMCQCY-LBPRGKRZSA-N	312.373	1.376	50	20	DDGD	
CC1CC(NC(=O)NNC(=O)c2ccc3c(c2)OCCO3)C1	268089706	ZZZITQGYJYQTQR-UHFFFAOYSA-N	305.334	1.200	50	20	DDGD	
CC(C)(C)c1cnc(CCC(=O)NNC(=O)c2ccccn2)o1	274907173	SABPYSKSOBGKOU-UHFFFAOYSA-N	316.361	1.761	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1nnc(CC(F)(F)F)s1	272846883	PNXDJLNXLCCCOA-UHFFFAOYSA-N	323.300	1.596	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	274234061	XAUKMDVKXSCLND-UHFFFAOYSA-N	322.752	1.344	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1ccc(NCC2CC2)nc1	278765963	WRYUPVISBBAKLK-UHFFFAOYSA-N	311.345	1.373	50	20	DDGD	
O=C(CCOCC(F)(F)C(F)(F)F)NNc1ncccn1	276549404	JPKSVTWZJHWUAR-UHFFFAOYSA-N	314.214	1.524	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@H]1CC(=O)N(C(C)C)C1	274540232	UDZIIDKEPZYPDJ-NSHDSACASA-N	308.357	1.770	50	20	DDGD	
C[C@H]1C[C@@H](CCNC(=O)NNC(=O)c2ccccc2O)CCO1	273543570	UCTDQOVJRZHQGO-RYUDHWBXSA-N	321.377	1.541	50	20	DDGD	
CC(=O)CCc1ccc(O[C@H](C)C(=O)NN(C)C(N)=O)cc1	272189552	NDCKDBKAEZWGGG-LLVKDONJSA-N	307.350	1.017	50	20	DDGD	
Cc1c(CCC(=O)NNC(=O)c2ccccc2F)cnn1C	270257726	WOFGQCCMWLSEGC-UHFFFAOYSA-N	304.325	1.261	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)nc1	275523004	JHINGPISWGEELS-GXTWGEPZSA-N	317.349	1.045	50	20	DDGD	
O=C(NNc1ncccc1Cl)[C@@H]1COCCN1C1CCCC1	376710029	KCWNNSQBWMNJHV-ZDUSSCGKSA-N	324.812	1.822	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C=C2CCCCC2)cc1	282984401	WELKXGVGHFAABZ-UHFFFAOYSA-N	315.373	1.971	50	20	DDGD	
CCc1occc1C(=O)NNC(=O)c1ccc2c(c1)OCCO2	280379172	LNOLZHHYYRDGDW-UHFFFAOYSA-N	316.313	1.688	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H]1CSCCS1	281386514	XORQZTWSIUBVSU-NSHDSACASA-N	311.432	1.996	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@H]1CCCN1C1CCOCC1	286624568	RLZNJEOFUZQFBN-GFCCVEGCSA-N	308.357	1.307	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@](C)(O)CCc2ccccc2)n1	282658194	HVMLVWHXSLRVDU-QGZVFWFLSA-N	314.389	1.920	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(OC(C)C)c(C(N)=O)c1	280010477	KXYNFOJCUCPQNA-PKNBQFBNSA-N	317.345	1.955	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)c(C)c1	282213408	RUUNGSVDPWKINJ-HEHGZKQESA-N	319.405	1.676	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NCCSSC)n(C)n1	285059575	FJFSLJDRYPGJHZ-UHFFFAOYSA-N	302.425	1.048	50	20	DDGD	
CC(C)OC(=O)CC[C@@H](C)NC(=O)NNc1cccc(F)n1	805401335	DGYOJNWNFBVIMJ-SNVBAGLBSA-N	312.345	1.967	50	20	DDGD	
CC(=O)NCCNC(=O)NNc1ncnc(Cl)c1C(C)C	298197251	HWZZATXCRZTHRU-UHFFFAOYSA-N	314.777	1.016	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H]1CCc2nccn2C1	805383286	VFECZGRITPWTEJ-LLVKDONJSA-N	315.333	1.805	50	20	DDGD	
COc1cc(F)ccc1NC(=O)C(=O)NNc1ncccc1F	807300229	DVDAEVINBRMEEU-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1nccn1-c1ccccc1	801758498	NVCSDCFPUQELNE-UHFFFAOYSA-N	303.322	1.062	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)NC1CCN(C2CCC2)CC1	297591498	RPLSIMCCDBFQID-UHFFFAOYSA-N	324.816	1.773	50	20	DDGD	
CC(=NNC(=O)c1ccnc(N(C)C)c1)c1cn(C)c(C)n1	800812745	LHPNBNLIMZYUQJ-UHFFFAOYSA-N	300.366	1.344	50	20	DDGD	
NC(=O)c1ccc(NC(=O)NNc2cccc(F)n2)c(F)c1	806317515	JAHKRLYRPUSVCH-UHFFFAOYSA-N	307.260	1.607	50	20	DDGD	
Cc1cc(C)nc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1	800791752	VIRKEABRMSQRIN-UHFFFAOYSA-N	314.301	1.681	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(F)cc2)C(C)(C)C1	299398379	URAAEDJYIDKSPI-NSHDSACASA-N	307.369	1.707	50	20	DDGD	
COCC1(C(=O)NNc2nccnc2C2CCC2)CCOCC1	290874954	KLXYPNMUEJTDON-UHFFFAOYSA-N	320.393	1.630	50	20	DDGD	
C=C(CNC(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccc1	298058292	UBPDWTOXFVAVFH-AWEZNQCLSA-N	303.362	1.599	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)ccc1F	297644284	TZNOCYUJJOGBFO-GWCFXTLKSA-N	309.341	1.532	50	20	DDGD	
Cc1cc(C)c(OCC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c(C)c1	294282535	PVNLXASWULHTBT-KBPBESRZSA-N	320.389	1.706	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)[C@@H]2CCCCO2)cc1	295605127	QFQGWNXUTMBXJU-RNVIBTMRSA-N	304.346	1.425	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)COC(F)F)cc1C	803163182	OOJFPFXMTBMLQD-UHFFFAOYSA-N	303.334	1.860	50	20	DDGD	
CNc1nc(C)cc(C(=O)NNc2cccc([N+](=O)[O-])c2C)n1	807120651	JSGAQGOILGKSIX-UHFFFAOYSA-N	316.321	1.800	50	20	DDGD	
COc1cnc(NC(=O)NNC(=O)Cc2ccc(F)cc2)s1	806512487	ROVKOVZYTZIMKB-UHFFFAOYSA-N	324.337	1.686	50	20	DDGD	
COc1c(C)cc(C(=O)NNC(=O)[C@H]2CCCCO2)cc1C	295559421	MOVABTMAECLBPG-CYBMUJFWSA-N	306.362	1.642	50	20	DDGD	
O=C(NNC(=O)c1cncs1)c1cc(Br)c[nH]1	807298185	XKIDSMYXTARKLT-UHFFFAOYSA-N	315.152	1.309	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2nc(C)oc2C)cc1	292373007	GQTBKTDSNUQDJE-UHFFFAOYSA-N	303.318	1.440	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)NNc2nnc[nH]2)C1	293981879	RISZCUOCEOOKKN-SNVBAGLBSA-N	324.385	1.285	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)COc1ccc(F)cc1)C(C)C	297929158	JLFJWZZBJLFQQQ-ZDUSSCGKSA-N	307.325	1.193	50	20	DDGD	
O=C(NNc1cccc2cnccc12)[C@@H]1CCc2nncn2C1	815855938	OAXBSRRFAOOSMV-GFCCVEGCSA-N	308.345	1.532	50	20	DDGD	
O=C(NN=Cc1cccc2cc[nH]c12)[C@@H]1CCS(=O)(=O)C1	814782020	IZEFRKZOQLBGKP-GFCCVEGCSA-N	305.359	1.053	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc2c(c1)CCCCC2=O	813423815	AEAWAYBIOFSQRP-UHFFFAOYSA-N	315.373	1.950	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)Cc2cc[nH]n2)CN1Cc1ccccc1	814954968	RQSCOPYOQRKHTK-CYBMUJFWSA-N	311.389	1.719	50	20	DDGD	
Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)NN(C)C1CC1	819646051	ZIWBHAHYVASIDF-ZROIWOOFSA-N	316.340	1.244	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NN=Cc2cnn(C)n2)cc1	814746636	ATYIAEITHUPZQS-LLVKDONJSA-N	317.349	1.131	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NN=Cc1nccs1	814851371	LKJJKKXPFSNZNY-UHFFFAOYSA-N	313.383	1.301	50	20	DDGD	
C[C@@H](NS(C)(=O)=O)C(=O)NN=C[C@H](C)C1CCCCC1	814835107	HVEILYIALXHYKM-WDEREUQCSA-N	303.428	1.243	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCC[C@]2(O)C[C@H]3CC[C@H]2C3)n1	813787783	LWSKYQMRYWWJDC-XEZPLFJOSA-N	319.409	1.661	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)C[C@H]2CCC(=O)N2)cc1OC	811630001	PFEWYEJEHCQTIU-GFCCVEGCSA-N	319.361	1.478	50	20	DDGD	
O=C(CN1CCOCC1)NNc1cc(Cl)nc(Cl)c1	819747547	UCRHFWVTZUPALH-UHFFFAOYSA-N	305.165	1.164	50	20	DDGD	
Cn1cncc1C(=O)NNC(=O)Cc1cccc2ccccc12	813390503	ZFLAVHZIWANURX-UHFFFAOYSA-N	308.341	1.577	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C(=O)NNC(=O)c2ccc[nH]2)c1C	726629772	QSNVNCMIKMTDQA-UHFFFAOYSA-N	318.333	1.211	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)[C@H](O)c1ccc(Cl)cc1	813519293	URHNXRMAKSIQJE-GFCCVEGCSA-N	312.156	1.987	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2cc3n(n2)CCO3)c1	810548831	DZJRHKURDPZICI-UHFFFAOYSA-N	317.374	1.215	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)C2(C(F)F)CCCC2)n1	813514974	OGOIKHXELQAQFH-UHFFFAOYSA-N	305.716	1.981	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=S)Nc1cccc(C)c1	727493888	XBERSENAAXQLMV-WDEREUQCSA-N	307.375	1.122	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2CNC(=O)C[C@H]2C(F)(F)F)n1	824862940	KFTZEZKKVYCXEX-RKDXNWHRSA-N	316.283	1.148	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(C(=O)C(C)(C)C)CC1(C)C	490810862	BYCLWRJOZLRKKH-ACCUITESSA-N	321.421	1.926	50	20	DDGD	
COC(=O)[C@@H]1CCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)[C@@H]1C	491043624	ABWFTKLSAKLNNS-KXPSEFJGSA-N	314.341	1.709	50	20	DDGD	
CCN(CCO)NC(=O)C1(c2ccc(OC)cc2)CCCC1	823852950	URCPJMNTPAZBTQ-UHFFFAOYSA-N	306.406	1.852	50	20	DDGD	
C[C@H](NC(=O)C1CCCC1)C(=O)NN(C)C(=O)OC(C)(C)C	497138118	ZCHWNFDMANCTJN-JTQLQIEISA-N	313.398	1.579	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12	825969216	JWAAITWMZZZNPC-QLFBSQMISA-N	302.374	1.787	50	20	DDGD	
C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NNC(=O)CC1CC1	496259439	AMDHVNIIEYDOHD-SNVBAGLBSA-N	313.398	1.437	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=S)NCC1CCC1	727269959	DUIJGUCBQKHBIO-UHFFFAOYSA-N	323.418	1.369	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@H]1CCN(c2ccccc2)C1	827473891	ZCMARGTVAMDPTQ-NSHDSACASA-N	301.325	1.585	50	20	DDGD	
C#CCO[C@@H](C)C(=O)NNC(=O)CSc1ccc(C)cc1	822210300	VMHJPQSZAWGCBD-LBPRGKRZSA-N	306.387	1.273	50	20	DDGD	
Cc1noc(CNC(=O)NNC(=O)c2cccc(Cl)c2)n1	727230244	FURPZZKFVUDFDJ-UHFFFAOYSA-N	309.713	1.176	50	20	DDGD	
O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)N1CC[C@@H](B(O)O)C1	585070348	ZBTNGBRFOSHCTK-TXXBHVLJSA-N	323.541	1.157	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(-c2cnn(C)c2)ccc1F	495823124	MADIOXCLZGAGHW-UHFFFAOYSA-N	306.297	1.569	50	20	DDGD	
O=C(N1CC[C@@H](B(O)O)C1)C1(c2cccc(F)c2)CCCC1	585072459	NDYLENVFWBVOFN-CYBMUJFWSA-N	305.158	1.713	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NNc1ccnc(Br)c1	490906746	DZOIWFYQSHMOBM-FPLPWBNLSA-N	311.139	1.731	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@H](O)C2CCCCC2)cn1	491008423	HZFXNQQDPXZMSP-GSHXUFRSSA-N	302.378	1.384	50	20	DDGD	
COC(=O)c1cc(/C=C(/C#N)C(=O)Nc2nccs2)c[nH]1	490726936	VXWXOLHOLVAJKG-WTKPLQERSA-N	302.315	1.803	50	20	DDGD	
C[C@H]1CCC[C@H]1NC(=O)NNc1cccc(-c2nn[nH]n2)c1	736265056	YTLCDAWXTUJPBC-JOYOIKCWSA-N	301.354	1.681	50	20	DDGD	
CCCNC(=O)/C(C#N)=C/c1ccc(O[C@@H](C)C(=O)O)cc1	490942900	PPVBIPAJHAJXBY-GJSJWPQCSA-N	302.330	1.972	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)COc1ccccc1C(F)(F)F	823976231	BEHKUNZUQHVCRF-SECBINFHSA-N	306.284	1.428	50	20	DDGD	
CC(=O)NNC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1	495807378	JAQSHNVXNRRBKZ-UHFFFAOYSA-N	313.398	1.581	50	20	DDGD	
CCNC(=O)NNS(=O)(=O)c1c(C)cc(Cl)cc1C	901610052	IAABOKMKIWSKOZ-UHFFFAOYSA-N	305.787	1.469	50	20	DDGD	
Cc1c(NNC(=O)NC[C@@]2(C)CCOC2)cccc1[N+](=O)[O-]	733653035	BPUVJOPRFISTLL-CQSZACIVSA-N	308.338	1.956	50	20	DDGD	
CSSCCNC(=O)CNC(=O)OCC(F)(F)F	495624055	CKFLMJVIHNCFFW-UHFFFAOYSA-N	306.331	1.402	50	20	DDGD	
N#C/C(=C\c1ccc2c(c1)OCCO2)S(=O)(=O)NC1CC1	588615825	VMSHAKUKFAQTIO-KPKJPENVSA-N	306.343	1.404	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C	496003054	DUBNJVHZOPXAGO-RKDXNWHRSA-N	303.359	1.313	50	20	DDGD	
CCOC(=O)NNC(=O)c1cnc2c(cnn2CC(C)C)c1	490904405	ISBGYXMZQGFGQG-UHFFFAOYSA-N	305.338	1.478	50	20	DDGD	
CC(C)N1CCC[C@H](CNC(=O)/C(C#N)=C\c2cnn(C)c2)C1	491163699	XRKNFSRJVJSOPQ-WYLIHXSISA-N	315.421	1.564	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=C2CCO[C@]23CCOC3)c1	901264366	BPTXVXGATJSUBO-HNNXBMFYSA-N	304.302	1.050	50	20	DDGD	
O=C(/C=C\[C@H]1CCOC1)NNC(=O)NCc1ccc(Cl)cc1	493435766	RVDVLKOHFPGZRP-RYBZSIHZSA-N	323.780	1.763	50	20	DDGD	
Cc1nc2scc(C3CC3)n2c1C=NNC(=O)c1ncon1	901289081	AXWGVDYAOBMSCI-UHFFFAOYSA-N	316.346	1.729	50	20	DDGD	
COc1ccc(C=NNC(=O)CCNC(=O)OC(C)(C)C)cn1	495568317	DORVQQMJJIDOQG-UHFFFAOYSA-N	322.365	1.455	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NNc1ccccn1	731500448	FEIQXQITKYUJRU-UHFFFAOYSA-N	301.306	1.061	50	20	DDGD	
O=C(Cc1cccc(C(=O)O)c1)NNC(=O)NC1CCCC1	833765881	TWLBRDPEISYNTK-UHFFFAOYSA-N	305.334	1.200	50	20	DDGD	
O=C(NNc1ncccc1Cl)c1ccc(-c2nn[nH]n2)cn1	738136530	GIIWPTNEOSZZEN-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
CO[C@H]1CCN(C(=O)NNC(=O)c2ccccc2C)C[C@@H]1C	836191720	IXGARSYFSUBKHV-JSGCOSHPSA-N	305.378	1.706	50	20	DDGD	
CC1(C)[C@@H](NCc2ccc(B(O)O)o2)C[C@H]1Oc1ccccc1	585040232	CPYCUVLIMUDGEP-LSDHHAIUSA-N	315.178	1.295	50	20	DDGD	
Cc1nc(-c2c[nH]c(C(=O)N3CC[C@@H](B(O)O)C3)c2)cs1	585069613	NTEAJZZWJPYHOX-SNVBAGLBSA-N	305.168	1.136	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1C[C@]12CCNC2	831834155	BBXGZLHFACPIPY-ZANVPECISA-N	310.741	1.691	50	20	DDGD	
CCC(C)(C)OCC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	837315301	SVMIGGVBEBZTPW-UHFFFAOYSA-N	321.377	1.286	50	20	DDGD	
CN(C(=O)c1cc(B(O)O)ccc1F)[C@H]1CCC[C@H]1C(C)(C)C	585001635	ZTBZCWSCYZLLNU-HIFRSBDPSA-N	321.201	1.792	50	20	DDGD	
Cc1ccccc1COc1cccc(CC(=O)NCB(O)O)c1	585059966	HTMLMRGMCXOBSC-UHFFFAOYSA-N	313.162	1.245	50	20	DDGD	
CSc1ccccc1[C@H](C)NCc1ccc(B(O)O)cc1	585038770	GEBVYSXZMXMZJN-LBPRGKRZSA-N	301.220	1.939	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCC[C@H]2C[C@H]3CC[C@H]2O3)n1	838752464	HUAWKRJNNZSTAR-YNEHKIRRSA-N	305.382	1.677	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(-c2cccc(Cl)c2)on1	910170698	MXWFKCCHJHWOQP-VIFPVBQESA-N	309.753	1.952	50	20	DDGD	
COC(=O)CSc1ccc(OS(=O)(=O)CCl)cc1	830852531	UUBXLVPLHJLLNO-UHFFFAOYSA-N	310.780	1.857	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(Cl)c2c(c1)OCCO2	910179542	YRGUFWSGWNOQEG-MRVPVSSYSA-N	300.742	1.069	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCCc2ccccc2C1	744397721	DOIQTZFPGZWRRI-UHFFFAOYSA-N	303.406	1.628	50	20	DDGD	
Cc1cc(C)cc(OCCC(=O)NNC(=O)N2CCOCC2)c1	745995874	FPMUHUIJXAIJAB-UHFFFAOYSA-N	321.377	1.145	50	20	DDGD	
CC1(C(=O)O)CN(C(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)C1	910056599	CSVMJLYOSYAFDX-IGJMFERPSA-N	316.195	1.873	50	20	DDGD	
COc1cccc(NCC(=O)NN=Cc2cn3ccccc3n2)c1	918711572	RBZHDCUZXBNWCU-UHFFFAOYSA-N	323.356	1.905	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N2CCC[C@@H]3COC[C@@H]32)cc1	841582386	PWLXLOLWMTWUHS-KGLIPLIRSA-N	314.345	1.023	50	20	DDGD	
CCCC(C)(C)C(=O)NNC(=O)c1cncc(NC(C)=O)c1	846637679	DJIVBGMUZFGMHC-UHFFFAOYSA-N	306.366	1.627	50	20	DDGD	
Cc1cc([C@H]2CCCN2CC(=O)NNC(=O)C(C)(C)C)on1	744388877	YJTPHMIKEXARNA-LLVKDONJSA-N	308.382	1.313	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCOc2ccccc21	843651928	PYCLRXRIELFAIR-GMXVVIOVSA-N	304.346	1.125	50	20	DDGD	
Cc1ccc2c(c1)[C@H](NC(=O)NNC(=O)Cc1ccncc1)CC2	747504330	VFYIOHCERUUASJ-MRXNPFEDSA-N	324.384	1.950	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1CCCc2cc(C#N)ccc21	842195368	NEUVEBQYKFDHLJ-AWEZNQCLSA-N	316.361	1.303	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1cccc(Br)c1	916357729	HFUAIFRSZVMYDE-UHFFFAOYSA-N	324.178	1.522	50	20	DDGD	
Cc1nnc(NNC(=O)Cc2csc3ccccc23)nc1O	916160061	CVWJCXQOHZNZCD-UHFFFAOYSA-N	315.358	1.786	50	20	DDGD	
CCONC(=O)CNC(=O)NNc1ccc(Cl)c(OC)c1	845538302	MKINQCYMFJTGSO-UHFFFAOYSA-N	316.745	1.042	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)NC2CC2)CC1)c1ccc(Cl)cc1	749389131	ORFWNIKZBYNAOK-UHFFFAOYSA-N	321.764	1.160	50	20	DDGD	
CCNC(=O)N(C)N=Cc1cccn1CC(=O)OC(C)(C)C	841631617	JQPPFUDYRFVGCJ-UHFFFAOYSA-N	308.382	1.825	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1C[C@@H]2[C@@H](C1)C2(F)F	846711338	LCJFBSMQPXHZHI-NXEZZACHSA-N	311.288	1.247	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1C(=O)Nc2ccc(Cl)cc21	916356025	UOQXQGJBBMBOIT-UHFFFAOYSA-N	322.796	1.844	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNC(=O)CCOc1ccccc1	840300184	JUAKJHRPFIOPKK-CYBMUJFWSA-N	322.361	1.192	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cccc2c1OC(F)(F)O2	842548798	CDPBODSDQWRHTJ-WPRPVWTQSA-N	312.272	1.883	50	20	DDGD	
CC(=NNC(=O)N(C)C)c1c(F)cccc1N1CCOCC1	741163233	QPPVJROTFNIEFE-UHFFFAOYSA-N	308.357	1.658	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=Cc1ccc(O)c(O)c1	747637557	CELAIPGJKRSVFV-UHFFFAOYSA-N	310.313	1.438	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1	912580368	CPBFURRURYSRDC-NEPJUHHUSA-N	312.486	1.745	50	20	DDGD	
CC[C@@H](C)c1nc(C)c(CC(=O)NN(C)C[C@@H](C)O)c(C)n1	910140509	IQZSPBJDBDSFTQ-GHMZBOCLSA-N	308.426	1.493	50	20	DDGD	
C[C@@H](CCO)SCC(=O)NNC(=O)c1cccc(Cl)c1	742452993	IBTYYVMYJMPIBP-VIFPVBQESA-N	316.810	1.605	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1CC2CCC1CC2	842257367	MKVHZLPNLIZZPG-HTAVTVPLSA-N	323.418	1.603	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnc2cc(C)nn2c1C	920764796	FVKYHCLZTYOKSO-UHFFFAOYSA-N	304.354	1.090	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NN=Cc1cnc2cnccn12	746371490	WIANIBAAWFXDMN-UHFFFAOYSA-N	319.328	1.229	50	20	DDGD	
C[C@@H](CNC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)OC(C)(C)C	848309228	NKMONKOUXKPPSV-HOVAHTAHSA-N	318.377	1.421	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NNC(=O)C2CC3(CCC3)C2)c1	844138649	SVXNDJZNEDNVED-UHFFFAOYSA-N	316.361	1.381	50	20	DDGD	
COc1c([N+](=O)[O-])ccc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)c1O	842562024	UUCAGHDKZHQMBD-PSASIEDQSA-N	323.305	1.184	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCC(=O)N2CCC2)cc1	746939867	WGMPXBLWFJPPLG-GXDHUFHOSA-N	314.341	1.768	50	20	DDGD	
C[C@H](CN)CNC(=O)NNC(=O)Cc1ccc2ccccc2c1	841962595	LFXIIBQUWRHGIV-GFCCVEGCSA-N	314.389	1.308	50	20	DDGD	
O=C(NCC1CC1)NN=Cc1ccc(N2CCOCC2)cc1	920830532	FUTPTPVORWMOHP-UHFFFAOYSA-N	302.378	1.566	50	20	DDGD	
O=S(=O)(CCCCl)NCCc1nc2c(s1)CCC2	921613984	KPTDOIJYLFMBAI-UHFFFAOYSA-N	308.856	1.723	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@H]2CCC[C@H]2C2CC2)n1	840394839	QJIBMHORULKCQW-NEPJUHHUSA-N	305.382	1.938	50	20	DDGD	
CC(C)(C)[S@](=O)CCNC(=O)NNc1ncc(Cl)cn1	856866316	VNVONOXISXAHFW-HXUWFJFHSA-N	319.818	1.303	50	20	DDGD	
Cc1nc(C2CC2)ccc1C(=O)NNC(=O)c1cccc(F)n1	856427497	ZBANNUJVNJQPKU-UHFFFAOYSA-N	314.320	1.876	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2ccc3c(c2)OCO3)CN1C1CC1	753954626	FDBYMJVWBIFQEA-SNVBAGLBSA-N	301.346	1.758	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1cc(C)c(C(=O)OC)o1	853004887	WTYHFPZKCRISJF-FLIBITNWSA-N	306.318	1.434	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)NCC2(C)CC2)cc1OC	752019019	GBCPGMANNLEVKG-UHFFFAOYSA-N	321.377	1.838	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2C[C@@]23CCCNC3)C[C@H]1Br	857007057	DFWBKNBGUOXORH-XKAARJIMSA-N	301.228	1.666	50	20	DDGD	
COCC1(S(=O)(=O)NC[C@]2(C)C[C@@H]2Br)CC1	856753519	SUOYNQXJHVTASY-IUCAKERBSA-N	312.229	1.258	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)C1CN(C2CCCCC2)C1)C1CC1	855096782	YSFWTFRZSFANCV-NSHDSACASA-N	324.494	1.545	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=Cc1ccccc1O	853410458	NQRYJUDKPICCCF-UHFFFAOYSA-N	305.378	1.785	50	20	DDGD	
Cc1ccnc(NNC(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)c1	755854645	WUCNYBYXNGQIHO-UHFFFAOYSA-N	311.301	1.490	50	20	DDGD	
C[C@@]1(CN2C(=O)[C@@H]3CC(F)(F)CN3C2=O)C[C@H]1Br	925005080	HKPHGSPSOIXSBV-PJKMHFRUSA-N	323.137	1.832	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2cc3c(cc2O)OCO3)n1	920372889	GVTBTSWLJJXIJP-UHFFFAOYSA-N	319.342	1.579	50	20	DDGD	
O=C1CSC[C@@H](C(=O)OC[C@H](CBr)C2CC2)N1	923927450	RTPHRHSJRZDOJD-IUCAKERBSA-N	322.224	1.182	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)COc1cc(C)on1	751168162	HIZDOHBZWYIWNR-UHFFFAOYSA-N	308.246	1.884	50	20	DDGD	
O=C(NN=Cc1cnc(N2CCOCC2)s1)C1CCCC1	755642820	FUMVSIZRVAQJIO-UHFFFAOYSA-N	308.407	1.620	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNc2ncccc2[N+](=O)[O-])c1	759303072	BDKVMSBHYWCFOJ-UHFFFAOYSA-N	316.273	1.533	50	20	DDGD	
Cc1nc(C=NNC(=O)C(=O)Nc2ccccn2)c2ccccn12	758388068	VBGSFSCEDXWYRG-UHFFFAOYSA-N	322.328	1.127	50	20	DDGD	
COC1(C(=O)NNc2ccc([N+](=O)[O-])cc2F)CCOCC1	855626376	CFOHUBIFWHVOKC-UHFFFAOYSA-N	313.285	1.373	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)c2ccc[nH]2)c(F)c1	758866238	GJIMFMXTKMNIDX-UHFFFAOYSA-N	306.297	1.307	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)c2cc[nH]n2)c1CC	855356285	KDMUMCDUUCPYIL-UHFFFAOYSA-N	304.354	1.044	50	20	DDGD	
NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C[C@H](CBr)C1CC1	859272107	MVNDPHRYOKDUAQ-XQHKEYJVSA-N	315.255	1.993	50	20	DDGD	
CN(C)CC(C)(C)NC(=O)NC[C@@]1(C)C[C@@H]1Br	856959986	KNBGGHVPGPHZQN-JOYOIKCWSA-N	306.248	1.799	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CC[C@H]2C[C@H]2C1	852636384	SULQPKHKYMFCBA-GJZGRUSLSA-N	301.390	1.027	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H](C)Cc1ccccc1C	858783230	QJUYCWVKDDKJQY-ZDUSSCGKSA-N	307.394	1.541	50	20	DDGD	
COC(=O)C12CC(C(=O)NNc3ccc([N+](=O)[O-])cc3F)(C1)C2	855623464	FRTDSPAYVLRQJK-UHFFFAOYSA-N	323.280	1.520	50	20	DDGD	
COC(=O)C(C)(C)CNC(=O)NNC(=O)c1cc(C)cs1	858294295	XOSKBJUGTIPWHG-UHFFFAOYSA-N	313.379	1.200	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2cccn2C)c1C	853809928	VCIPXAPGMYGENN-UHFFFAOYSA-N	316.361	1.946	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=Cc1cnc(C)n1C	853273105	ADEISOXEWBBQRZ-UHFFFAOYSA-N	324.388	1.791	50	20	DDGD	
COc1cccc(NCC(=O)NN=C(C)c2nccn2C)c1	755585251	QWYDGVMAGDHPBW-UHFFFAOYSA-N	301.350	1.381	50	20	DDGD	
CCn1ccnc1C=NNC(=O)c1nn(-c2ccccc2)cc1O	755577190	SNWOYTNYEODPDE-UHFFFAOYSA-N	324.344	1.558	50	20	DDGD	
Cc1nc(C=NNC(=O)[C@@H]2COc3ccccc3O2)[nH]c1C	853261765	TVLRKFFDMPFPBO-ZDUSSCGKSA-N	300.318	1.317	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1CCC(=NNC(=O)c2cn[nH]c2)C1	863152334	PJTIRJHZEOCPCU-SNVBAGLBSA-N	307.354	1.573	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc2c(c1)nc(O)n2CC1CC1	935908122	FOHZIZGBMADYNS-UHFFFAOYSA-N	318.333	1.495	50	20	DDGD	
CN(C)C(=O)CCCNC(=O)[C@H](Br)C(C)(C)C	767321807	IQJLNGNZTMVJMN-JTQLQIEISA-N	307.232	1.781	50	20	DDGD	
O=C1NCCC[C@@H]1C(=O)NNc1cccc(C(F)(F)F)c1	866865894	UFRQOEHRBXZZNJ-JTQLQIEISA-N	301.268	1.675	50	20	DDGD	
CCO[C@H](C(=O)NNc1ccc2c(=O)[nH]ccc2c1)C1CC1	861576167	WHWWEYBJEFBIPX-AWEZNQCLSA-N	301.346	1.786	50	20	DDGD	
C[C@](NC(=O)NNC(=O)c1cccnn1)(C1CC1)C(F)(F)F	933561860	XANKHWJNUDPXPM-NSHDSACASA-N	317.271	1.152	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc(O)c(F)c1	767245572	IHLKQUZEJIXJLF-UHFFFAOYSA-N	318.260	1.335	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=C1CCC(O)CC1	761777299	IWHCEVJHIWORDA-IRYOAWFSSA-N	311.426	1.139	50	20	DDGD	
C[C@@H](OCC1CC1)C(=O)NNC(=O)CSc1ccccc1O	764046976	DPTLIRPOCLJLNK-SNVBAGLBSA-N	324.402	1.447	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2ccccc2N2CCCCC2)N1	863146125	PJRKKNYQWXWYOZ-CQSZACIVSA-N	314.389	1.406	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)c2ccc(CCCCl)cc2)C[C@H]1O	768560300	YAWFTGDKACOASH-SMDDNHRTSA-N	317.838	1.859	50	20	DDGD	
O=C(NN=Cc1ccsc1C(F)(F)F)C(=O)N1CCCC1	863085800	OEJZZNPRUXILCS-UHFFFAOYSA-N	319.308	1.839	50	20	DDGD	
CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN(C)C(N)=O	860516877	QDPGDEJBRJOCNG-SNVBAGLBSA-N	316.402	1.358	50	20	DDGD	
CC[C@H]1CCCC(=NNC(=O)CNC(=O)c2cccnc2)C1	763197978	DBCNLVXKIQUHGO-LBPRGKRZSA-N	302.378	1.884	50	20	DDGD	
O=C(CCn1cc(Cl)cn1)NN=c1cc[nH]cc1Cl	768444110	MRHRXDBUSIWIAW-UHFFFAOYSA-N	300.149	1.540	50	20	DDGD	
Cc1cc(F)ccc1CCNC(=O)NNC(=O)C1CCNCC1	1117965651	ZXMKURBBQHLQCO-UHFFFAOYSA-N	322.384	1.007	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1	875142078	ZEVWGMJZMLMEBZ-JSGCOSHPSA-N	320.393	1.734	50	20	DDGD	
O=C(NNc1ccccn1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	777473071	VXSYALKONBGWKF-NSHDSACASA-N	314.320	1.717	50	20	DDGD	
COCCc1nc(C)c(C(C)=NNC(=O)c2cc(C)[nH]n2)s1	770614871	ILEBGBJEDHYGEH-UHFFFAOYSA-N	321.406	1.826	50	20	DDGD	
COc1cccc(NCC(=O)NN=CC2CCN(C)CC2)c1	872335203	JPYCCKMKQKXMFG-UHFFFAOYSA-N	304.394	1.551	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCCN2C)c1	874949934	ITDGTVQBGRFXTN-ZDUSSCGKSA-N	302.403	1.080	50	20	DDGD	
Cc1ncc2c(n1)CCC[C@@H]2NC(=O)NN=c1cc[nH]c(C)c1	875301987	IDSPUYHOKWNANL-HNNXBMFYSA-N	312.377	1.614	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1CCCc2ncccc21	872341002	YJBMIVQCCMSFHA-UHFFFAOYSA-N	301.375	1.899	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)CCC(C)(C)O	873769246	NMTWWHUPTBKDES-UHFFFAOYSA-N	311.407	1.564	50	20	DDGD	
COC(=O)C(=O)NN=Cc1cc(OC)ccc1Br	1116342121	NWTNWLRFLWICTR-UHFFFAOYSA-N	315.123	1.081	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(CCO)CC(C)(C)C)c1	777582336	FPFGMMSUWXROBW-UHFFFAOYSA-N	321.421	1.096	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cnc(C3CC3)o2)cc1	878038056	YQBBGLQKLMKKAQ-UHFFFAOYSA-N	314.345	1.734	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1CCCc2cc(C#N)ccc21	875674635	IMGULOSDARBRKY-ZDUSSCGKSA-N	302.334	1.848	50	20	DDGD	
Cc1nc(C(C)C)ncc1C(=O)NNC(=O)C1CCOCC1	883059496	ZKOGODHEDZXTQV-UHFFFAOYSA-N	306.366	1.096	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)[C@@H]1CCCN1c1ncccn1	885111144	UMKYOHBHOVBMBO-ZDUSSCGKSA-N	319.315	1.867	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)[C@H]1COCCN1CC(F)F	885113173	QRKZDNXEJYRYRG-LLVKDONJSA-N	321.274	1.374	50	20	DDGD	
CSCCCCCCNC(=O)NNC(=O)c1cccnn1	883564154	JKOLGDAZXSCEFA-UHFFFAOYSA-N	311.411	1.344	50	20	DDGD	
CN(C)N(C(=O)[C@@H]1CCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1	781579498	AMVXMIDQYAGOFR-NEPJUHHUSA-N	302.440	1.305	50	20	DDGD	
Cc1cccc(NNC(=O)Nc2ccnc(CN(C)C)c2)n1	880614098	ZOIMILNJZMCBJT-UHFFFAOYSA-N	300.366	1.995	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](C)[C@@H]1OCCc2sccc21	887149178	MHDFCGDEOVQXRC-NHYWBVRUSA-N	320.414	1.949	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)C(C)C)c(OC)c1	782081023	XNLJCEDUVCPYLT-UHFFFAOYSA-N	309.322	1.291	50	20	DDGD	
C[C@H](NC(=O)NNc1c(F)cccc1Cl)c1ncn(C)n1	780704828	MHVOIKKLACPOPQ-ZETCQYMHSA-N	312.736	1.995	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)c1ccccc1F	788224097	RJNWGRKJUBHBLV-UHFFFAOYSA-N	309.322	1.230	50	20	DDGD	
COc1c(C)ccc(NC(=O)C(=O)NNc2cccnn2)c1C	784862901	NGNZYWZHJBWWGK-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)NNC(=O)COc2ccccc2C#N)C1	780783640	WJYYASJLHNRVIM-YPMHNXCESA-N	316.361	1.456	50	20	DDGD	
CCc1cnccc1[C@H](C)N[C@H](C)C(=O)NNC(=O)CC(C)C	783017175	PWCBYDGZFOSWPQ-QWHCGFSZSA-N	320.437	1.877	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)[C@@H](O)C1CCCCC1	783510785	CWQSVWWSPSSAGM-HNNXBMFYSA-N	324.352	1.293	50	20	DDGD	
CC(=NNC(=O)Cc1nc2ccccc2n1C)c1cc(C)nn1C	788968018	RYWJXIWWIXJGPF-UHFFFAOYSA-N	324.388	1.698	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1c[nH]c(C(=O)N2CCCC2)c1	781368616	SGJBNWYCDSYDHK-UHFFFAOYSA-N	317.324	1.542	50	20	DDGD	
C=Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1	785622983	VAMQCEVSVJOENU-UHFFFAOYSA-N	324.336	1.948	50	20	DDGD	
CC[C@H](O)[C@@H](C)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	899949369	UOLSWGZZUUWIBP-FOGDFJRCSA-N	312.341	1.147	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H](C)CN2C[C@H](C)O[C@H](C)C2)sn1	785451707	USTFKLVOPSKWBG-RTXFEEFZSA-N	324.450	1.647	50	20	DDGD	
COc1cccc(NCC(=O)NN=Cc2ccc(OC)nc2)c1	780200647	KUCRVUOZFHPVAZ-UHFFFAOYSA-N	314.345	1.661	50	20	DDGD	
CCOc1ccc(C=NNC(=O)C(=O)NC(CC)CC)cc1F	782229849	BKOZKDXYLRNKPO-UHFFFAOYSA-N	323.368	1.979	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCCOC(=O)/C(C#N)=C\C1CC1	786678525	DUHXXJVYHKYUBD-PVRNWPCDSA-N	300.314	1.793	50	20	DDGD	
COCCC1(C(=O)NNC(=O)NCC(F)(F)F)CCCC1	798315699	NLZHTLCQDIPWCN-UHFFFAOYSA-N	311.304	1.476	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cncc(OC)n2)cc1	790119651	SSLPJHJOEGYBLK-UHFFFAOYSA-N	300.318	1.122	50	20	DDGD	
Cc1nn(Cc2ccccc2)c(N)c1C(=O)NNC(=O)C(C)C	794771850	ALCNFTSDEAAXFL-UHFFFAOYSA-N	315.377	1.239	50	20	DDGD	
NC(=S)c1ccc(C(=O)NNc2ncncc2Cl)cc1	798342072	CIGINJWROWDAJA-UHFFFAOYSA-N	307.766	1.521	50	20	DDGD	
Cn1cnc2cc(C(=O)NNC(=S)NC(C)(C)C)ccc21	899996608	ODHNBXODHSTRHI-UHFFFAOYSA-N	305.407	1.481	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(S)ccc1F	798724491	SIIZHPKHSBGGIY-SSDOTTSWSA-N	314.338	1.217	50	20	DDGD	
Cn1cncc1CCC(=O)NNC(=O)Cc1ccc(Cl)cc1	792821745	DXJIYRMCHVNPKN-UHFFFAOYSA-N	320.780	1.396	50	20	DDGD	
Cc1nn(C)c(/C=C(\C#N)S(C)(=O)=O)c1Br	790601079	IUDFMVCFXZEZOP-QPJJXVBHSA-N	304.169	1.400	50	20	DDGD	
CCC[C@@]1(NCC(=O)NNC(=O)c2ccc(C)cc2)CCOC1	796441577	OYCWZNZRWDYXBP-QGZVFWFLSA-N	319.405	1.305	50	20	DDGD	
CC(=NNC(=O)c1cc2c(s1)CCC2)c1ccc(O)nn1	790145474	BSYBBGVUJPGKBO-UHFFFAOYSA-N	302.359	1.886	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(C)c(C#N)c2)c(O)c1	799411315	LOAOXRUMMVNKNJ-UHFFFAOYSA-N	309.325	1.956	50	20	DDGD	
Cc1cccnc1NNC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1	792513775	UKBSWXLRBGBGIL-UHFFFAOYSA-N	311.301	1.490	50	20	DDGD	
Cc1nn(C(C)C)cc1C=NNC(=O)CNC(=O)c1ccco1	799110590	XQBYIVVYGOXWLI-UHFFFAOYSA-N	317.349	1.246	50	20	DDGD	
CC[C@@H]1CC[C@H](C)CC1=NNC(=O)[C@H]1CCS(=O)(=O)C1	797401071	ZLFFWBZBTGSTHY-TUAOUCFPSA-N	300.424	1.740	50	20	DDGD	
O=C(CN1CCC(C2CC2)CC1)NNC(=O)c1cccs1	794894696	JBXOKBFHCMTKRZ-UHFFFAOYSA-N	307.419	1.631	50	20	DDGD	
CNC(=O)Cc1ccccc1NC(=O)NNC(=O)OC(C)(C)C	1321171275	LTXNWTDFXNDZJR-UHFFFAOYSA-N	322.365	1.536	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2cc(F)ncc2F)CC1	1325250393	NSZCKCUGRLLVCF-UHFFFAOYSA-N	310.348	1.932	50	20	DDGD	
Cc1oc2ncnc(O)c2c1C(=O)NNc1cccc(F)n1	1326462634	NYGDVNVEUBCMRJ-UHFFFAOYSA-N	303.253	1.528	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H](C)c2cnn(C)c2C)c1	1329721599	GWTOCXWZOAMCIP-VIFPVBQESA-N	321.406	1.804	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)CCCc1ccccc1)C1CC1	1331865854	KKAVGTHNBPKPQO-INIZCTEOSA-N	304.390	1.972	50	20	DDGD	
CCn1nccc1CNC(=O)NNC(=O)c1ccc(OC)cc1	1347366836	IUNQSUBUMGSOLJ-UHFFFAOYSA-N	317.349	1.056	50	20	DDGD	
O=C1Cc2cc(C(=O)NNc3ncc(F)cn3)c(Cl)cc2N1	1341309610	RWOOBCWZVVUEIL-UHFFFAOYSA-N	321.699	1.521	50	20	DDGD	
C[C@]1(COC(=O)CCCCNC(N)=O)C[C@H]1Br	1519553868	SVEHYIPSVDTUGD-LDYMZIIASA-N	307.188	1.542	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc(/C=C\C(=O)O)o1)C1CC1	1604319994	VDFSLARDRNMYMT-GRKOMRHMSA-N	323.374	1.285	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@@H](CCC(C)(C)C)C(=O)O)cn1	1605491212	RAJPVIJVMQKQPL-WHGQRRHOSA-N	318.377	1.723	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1cccc(-n2ccnn2)c1	1605821181	VVESDPAXFNYCSJ-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
O=C(Cn1cc(C(=O)O)cn1)NNc1nccc2sccc12	1608375710	DXBNCBXZOQDROV-UHFFFAOYSA-N	317.330	1.334	50	20	DDGD	
CC[C@H](C(=O)O)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	1609885934	AUGFZMSCVUROBX-ZETCQYMHSA-N	301.686	1.802	50	20	DDGD	
O=C(/C=C\c1cc(C(=O)O)co1)NNC(=S)NCC1CCC1	1601233951	QLFFLQAWBAMGBV-PLNGDYQASA-N	323.374	1.286	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@]1(CC(=O)O)CCOC1	1610618915	OCTYOTSGXNFTNT-JQPKSGMCSA-N	316.313	1.049	50	20	DDGD	
COc1cccc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)c1F	1549321098	PWPJUNKSXVVZGT-TZMCWYRMSA-N	321.352	1.148	50	20	DDGD	
O=S(=O)(NCCCOCCO)c1ccc(CCCl)cc1	230723945	AQLYGYBIZSQAFD-UHFFFAOYSA-N	321.826	1.145	50	20	DDGD	
CN(N)C(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F	1573883079	XODSIHDIGUKSQM-UHFFFAOYSA-N	303.219	1.371	50	20	DDGD	
COCCN(C)NC(=O)c1sc(C2CCNCC2)nc1C	1579022062	RFMJJDRGVSIQSH-UHFFFAOYSA-N	312.439	1.142	50	20	DDGD	
CCCC[C@H](CN)NC(=O)NNc1ccc(C(C)(C)C)nn1	1577393814	KGFWASLJQUKMKL-LLVKDONJSA-N	308.430	1.918	50	20	DDGD	
C[C@@H](Br)C(=O)N1CCCC12CN(C(=O)C1CC1)C2	1846179793	WPVNEBXPIXGBTD-SECBINFHSA-N	315.211	1.383	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCO1	1588999729	MXIFKVRNPRGHSQ-BXKDBHETSA-N	302.338	1.125	50	20	DDGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)[C@H]1CSCN1	1580737735	XHOWSEDAULDOEL-SECBINFHSA-N	316.839	1.320	50	20	DDGD	
C[C@@H](Oc1ccccn1)C(=O)NNc1ccc(C(=O)O)cc1F	1593656380	ZRCLULYTNSJFHW-SECBINFHSA-N	319.292	1.830	50	20	DDGD	
O=C(NCc1ccccc1C(=O)O)NNC(=O)[C@@H]1CCCS1	1594771825	BFGIUZQMOOZTEE-NSHDSACASA-N	323.374	1.111	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)N[C@@H]1CCCC[C@H]1F	1593165216	XUASTQOSDAFEIY-NXEZZACHSA-N	320.332	1.169	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H](C)OC)C2	1845167845	WZNXBVFURYONRT-WDEREUQCSA-N	302.802	1.242	50	20	DDGD	
O=C(CCCC1CC1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1592836804	NNGNUKFVJBWEFD-UHFFFAOYSA-N	314.349	1.208	50	20	DDGD	
CCc1c(C(=O)NNc2cccc(F)c2C(=O)O)cnn1C	1597410597	AOYGGGJYBOKNQN-UHFFFAOYSA-N	306.297	1.577	50	20	DDGD	
CCc1[nH]c(C=NNC(=O)Cc2cccnc2)cc1C(=O)O	1597380528	OXQPAROHDUMNDM-UHFFFAOYSA-N	300.318	1.363	50	20	DDGD	
C[C@]1(C(=O)NN=Cc2c[nH]c3ccc(C(=O)O)cc23)CCCO1	1593756525	WEGAWENCRNDVDT-MRXNPFEDSA-N	315.329	1.885	50	20	DDGD	
CC[C@@H](NNC(=O)c1cccc(Br)c1)C(=O)O	1595306035	QTJNFMGDTCXPPL-SECBINFHSA-N	301.140	1.547	50	20	DDGD	
CC[C@@H](C)[C@H](NNC(=O)c1cc(Br)c[nH]1)C(=O)O	1594921526	QUIUCIDFBOTCBB-MUWHJKNJSA-N	318.171	1.511	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2ncnc3ccsc23)O[C@H]1C(=O)O	1599875969	MBVIACCKUOVKCF-FTLITQJKSA-N	322.346	1.013	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)c2cnsn2)c(Cl)c1	1776104905	FZCPTMXSBAIJMO-UHFFFAOYSA-N	310.722	1.654	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)OC(C)(C)C)cc1[N+](=O)[O-]	17398586	YWNXTKNJSWUVFK-UHFFFAOYSA-N	311.294	1.773	50	20	DDGD	
COC(=O)NNC(=O)c1cc(Br)cn1C(C)C	158900506	MGELPBBHMJXTEJ-UHFFFAOYSA-N	304.144	1.832	50	20	DDGD	
CC1(C)C[C@@H]1C(=O)NNC(=O)c1cc(Br)c[nH]1	152173459	WYDKHWXVJKDGTA-SSDOTTSWSA-N	300.156	1.584	50	20	DDGD	
O=S(=O)(CCl)NC[C@@H]1CN(Cc2ccccc2)CCO1	311661921	GMEKHBNQCGPRCG-CYBMUJFWSA-N	318.826	1.003	50	20	DDGD	
CN(Cc1ncnn1CCF)NC(=O)OCc1ccccc1	859386216	HWDKDIBKLFYWOF-UHFFFAOYSA-N	307.329	1.521	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCCS(C)(=O)=O)cc1	56015246	DACCWWCXWWJGEC-JLHYYAGUSA-N	322.386	1.153	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cc(F)cc2cccnc12	179387768	UYIQIYRHCXCOGV-UHFFFAOYSA-N	318.308	1.061	50	20	DDGD	
CC(C)c1n[nH]c(C(=O)NNC(=O)N(C)C)c1Br	109263901	FEIRVCVZHCTYTP-UHFFFAOYSA-N	318.175	1.212	50	20	DDGD	
CN(C)[C@@H]1CCC[C@@H](NC(=O)NNc2cncc(Cl)n2)C1	176584147	VNLGJLGXTIEPTM-NXEZZACHSA-N	312.805	1.629	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CC[C@@H]2CCCCO2)c1	110599850	UOSSBJNHOMPOLN-AWEZNQCLSA-N	320.389	1.871	50	20	DDGD	
O=C(NNc1ccccc1)[C@@H]1CC(=O)N(Cc2ccccn2)C1	111550678	PYJVRTDRJAZART-CYBMUJFWSA-N	310.357	1.573	50	20	DDGD	
O=C(NCCc1ccc(F)cc1F)NNC(=O)c1ccc[nH]1	112216809	YBPVVURBHJDJRF-UHFFFAOYSA-N	308.288	1.480	50	20	DDGD	
CC(C)S(=O)(=O)CC(=O)NNc1ccc(C(C)(C)C)nn1	118527215	DTJALNWKYSGOPN-UHFFFAOYSA-N	314.411	1.040	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNc1ncccn1)c1nc(C2CC2)no1	69872636	KIRDNUYDUQYGHO-SNVBAGLBSA-N	317.353	1.760	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)NC2CC2)cc1	64900432	DNQWUWDLZUDLGN-UHFFFAOYSA-N	304.394	1.635	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)N[C@H]1CCOC1	178783599	WBLQGZAEIXGGNQ-ZZTKBFGJSA-N	321.421	1.712	50	20	DDGD	
Cc1occc1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	21191393	TUFDZYKESMUUDL-ZDUSSCGKSA-N	302.286	1.189	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNc2cccnn2)cc1OC	178400256	NQMFDKAEOLTTJF-UHFFFAOYSA-N	316.361	1.915	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C2CCOCC2)cc1	65740842	OBXSNYYUNALJCO-UHFFFAOYSA-N	306.362	1.202	50	20	DDGD	
CC[C@@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1	23520185	HUBIFTAVELSFLB-SECBINFHSA-N	312.753	1.690	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)NC1CCCC1	31024875	NZACFLZCHFWEPX-CYBMUJFWSA-N	305.334	1.099	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)c2c(C)c(C)nn(C)c2=O)c1	124281177	KJZRETFERQDSTQ-UHFFFAOYSA-N	300.362	1.771	50	20	DDGD	
CCc1ccnc(C(=O)NNC(=O)Cc2ccccc2F)c1	181857866	OAPAZFBMHVZRHS-UHFFFAOYSA-N	301.321	1.787	50	20	DDGD	
N#Cc1c(F)cccc1C(=O)NNc1nc(-c2ccncc2)no1	188951787	GFLVSDPNWCNDIQ-UHFFFAOYSA-N	324.275	1.899	50	20	DDGD	
CC(C)OCCCC(=O)NNc1nc2ccccc2c(=O)n1C	182969129	UGGLRXLFQRCEOB-UHFFFAOYSA-N	318.377	1.582	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H](C(=O)NNc2cccc(C(F)(F)F)c2)O1	189331827	XZFYDKLIUZLJTC-VHSXEESVSA-N	317.267	1.181	50	20	DDGD	
COc1cccc(NNC(=O)c2cccc(-n3cccn3)n2)n1	180738948	HVEOSKYSJDIMED-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)[C@@H](O)c1ccccc1	73083443	RCXDKIHJZQRJHZ-ZDUSSCGKSA-N	319.386	1.355	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1)N(C)C	120947074	NQFCMFMKDAWRNH-QMMMGPOBSA-N	321.349	1.076	50	20	DDGD	
COc1ccc(CC(=O)NNc2cc(C)nc(C)n2)cc1OC	128747906	PBOKGHLGYSYEIN-UHFFFAOYSA-N	316.361	1.796	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)c1ccc(Cl)nc1)c1ccccc1	77249473	ZEZXVTQPQMXWGU-ZDUSSCGKSA-N	319.748	1.884	50	20	DDGD	
Cc1ncsc1/C=C/C(=O)NNC(=S)N[C@@H](C)C1CC1	187477417	ZYMGLWADYVLTMU-GJIOHYHPSA-N	310.448	1.759	50	20	DDGD	
CN(C)c1ccc(CNC(=O)NNC(=O)c2ccc[nH]2)cc1	120441506	NAZZWNZRDAHGDQ-UHFFFAOYSA-N	301.350	1.225	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](Cc1ccccc1)C1CC1	77646308	WLKUABQWEZWCCJ-AWEZNQCLSA-N	305.378	1.375	50	20	DDGD	
CCC[C@H]1C[C@@H](C(=O)NNC(=O)c2ccccc2O)CCO1	183531151	ABVZUGTYPUQXEL-RYUDHWBXSA-N	306.362	1.749	50	20	DDGD	
CCCc1cc(NC(=O)NNC(=O)c2ccccc2O)n(C)n1	183720871	WLZWZHLFYMMMKT-UHFFFAOYSA-N	317.349	1.545	50	20	DDGD	
CCOc1cc(C)ccc1NC(=O)NNC(=O)Cc1cc[nH]n1	184199806	ZDSSFRVWRKIWEY-UHFFFAOYSA-N	317.349	1.512	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C2(Cc3ccccc3)CCC2)cn1	131010294	FVLZVFAHCQFWNS-UHFFFAOYSA-N	312.373	1.594	50	20	DDGD	
CC(C)(C)OC(=O)NCCCCNS(=O)(=O)CCl	1117761635	YGANRTYHIFKZQS-UHFFFAOYSA-N	300.808	1.407	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NC[C@H]1CCN(C2CC2)C1	194352206	PYNGGNGTLQFLCM-UWZYDCLUSA-N	311.385	1.900	50	20	DDGD	
COc1ccc(C)cc1NC(=O)C(=O)NNc1cc(C)ccn1	190046955	ZZLNYVSYTAPTRV-UHFFFAOYSA-N	314.345	1.789	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C(=O)NC1CC1	245724545	QOMGVGIYNOZJAW-IJLUTSLNSA-N	307.394	1.019	50	20	DDGD	
C[C@H]1[C@@H](C)OCCN1C(=O)NNC(=O)C(C)(C)c1ccccc1	268896011	LJSAAAMBNCNNRM-QWHCGFSZSA-N	319.405	1.814	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)N[C@H]3CCCC3(C)C)nc21	269262912	BRDJPPJAAUQXFB-VIFPVBQESA-N	319.369	1.274	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CN2CCC(C)CC2)cc1	268656032	SPKIQCWOQMXUMC-UHFFFAOYSA-N	318.421	1.286	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)cc1	264977363	CKXZRWJEVYKKIL-MGPQQGTHSA-N	303.362	1.122	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)NCC3(C)CCCC3)nc21	269305166	WMLUZKDPHLVTBS-UHFFFAOYSA-N	319.369	1.275	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)CNC(=O)OCc1ccccc1	264006050	CPNWSYBDGGLOBT-UHFFFAOYSA-N	321.377	1.496	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(N(C)C)c2)CCO1	271214079	DVTKNLSPUZVMRC-YPMHNXCESA-N	320.393	1.264	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F)C1CC1	279599863	FKWQUTRERBEXEP-RNCFNFMXSA-N	310.325	1.165	50	20	DDGD	
NC(=O)[C@H]1CC[C@H](C(=O)NNc2c(Cl)cccc2Cl)O1	279918488	NMPFYAUDHOCZCW-RKDXNWHRSA-N	318.160	1.469	50	20	DDGD	
CSSCCNC(=O)N1CCC(N2CCNC2=O)CC1	367411280	XXUYZODISIPAFE-UHFFFAOYSA-N	318.468	1.197	50	20	DDGD	
Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)CBr	272753416	AUYAWWGKLUBFQH-ZCFIWIBFSA-N	311.201	1.494	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1	279439145	BATAOPOUNNFKPO-ZDUSSCGKSA-N	314.345	1.796	50	20	DDGD	
CN(C(=O)[C@@H](Br)C(C)(C)C)[C@@H]1CCCCNC1=O	364150682	ONVFNHAFRKODAM-NXEZZACHSA-N	319.243	1.923	50	20	DDGD	
CN(C)C(=O)c1cccc(S(=O)(=O)N2CC=C(C#N)CC2)c1	272717819	DUBKLXHNVCUXFM-UHFFFAOYSA-N	319.386	1.233	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NNC(=O)CSc1ccccc1O	270706822	NLJBIILQQOONIH-ONGXEEELSA-N	310.375	1.057	50	20	DDGD	
CC(C)Cn1cnc(S(=O)(=O)NNC(=O)OC(C)(C)C)c1	274089599	PTLGYGRARMOPJL-UHFFFAOYSA-N	318.399	1.257	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1cccc(C(=O)OC)c1	272820430	MSQSDOKOAKSRCL-UHFFFAOYSA-N	309.322	1.053	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)n1	280996714	VNJJJVWOHYIARR-UHTWSYAYSA-N	318.377	1.148	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(C(=O)OC)c(OC)c1	280385448	ZIAYQEGTZYXYKD-MDZDMXLPSA-N	304.302	1.864	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CC[C@@H](OC)C[C@H]1C	282009564	XYENADVZRKQYQH-VXGBXAGGSA-N	321.377	1.549	50	20	DDGD	
Cn1cc(-c2cncc(C(=O)NNC(=O)c3ccccc3)c2)cn1	373098065	DRHRUMRZRLMLEO-UHFFFAOYSA-N	321.340	1.557	50	20	DDGD	
CN1CC[C@@H]2CCN(C(=O)/C(C#N)=C\c3ccc(O)cc3)[C@@H]2C1	280279514	PFZVNYLWULTJOF-DAJLKQTQSA-N	311.385	1.852	50	20	DDGD	
COCC1(C(=O)NNC(=O)COc2cccc(C)c2)CCC1	284460291	VWVOFLICRJACNE-UHFFFAOYSA-N	306.362	1.338	50	20	DDGD	
O=C(CCOCC(F)F)NNc1nccnc1C1CCC1	287194160	MMMUTKXBXOHKTL-UHFFFAOYSA-N	300.309	1.859	50	20	DDGD	
CSSCCNC(=O)c1csc(S(N)(=O)=O)c1	284210803	UNXMTFDAQJOYIL-UHFFFAOYSA-N	312.463	1.137	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCCOC(F)F)c1	802438855	XUQBTARDAUOGCX-UHFFFAOYSA-N	317.292	1.729	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)[C@H]2CCCCO2)c1	295263381	BGTRLOQELQBJOY-GFCCVEGCSA-N	307.306	1.233	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@@H]1CCN2CCCC[C@@H]12	298728240	KTDZXYAPUCUXAF-ZJUUUORDSA-N	310.789	1.383	50	20	DDGD	
CC(C)CCC(=NNC(=O)[C@H](C)NS(C)(=O)=O)C1CC1	802711600	SKJWTIXTIQKFBZ-JTQLQIEISA-N	303.428	1.243	50	20	DDGD	
Cc1ccccc1OCCNC(=O)NNC(=O)[C@@H]1CCCCO1	296241079	GELPXCFSYPBICF-AWEZNQCLSA-N	321.377	1.273	50	20	DDGD	
CCOc1cc(C(=O)NN(C)CCOC)cc(Cl)c1O	808075011	OPLOIFOSPRUWMO-UHFFFAOYSA-N	302.758	1.667	50	20	DDGD	
O=C(CCNC(=O)NNc1ncncc1F)NC1CCCCC1	293004937	OCRNEGZBFCXQTI-UHFFFAOYSA-N	324.360	1.081	50	20	DDGD	
CC/C=C/CNC(=O)NNC(=O)COc1ccccc1C#N	298052437	IUSUEAGHMSXEPS-ZZXKWVIFSA-N	302.334	1.234	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)c1cnc2[nH]c(O)nc2c1	809679143	BPQMESYPQQAPAL-UHFFFAOYSA-N	323.234	1.838	50	20	DDGD	
C[C@H](C(=O)NNC(=O)COc1ccc(F)cc1)C(C)(F)F	292789888	ZIQNSLSJYJMLMV-MRVPVSSYSA-N	304.268	1.643	50	20	DDGD	
C[C@H](Oc1ccc(C=O)cc1)C(=O)NN=c1cc[nH]cc1Cl	803110762	HJZLVPSRCFSJFZ-JTQLQIEISA-N	319.748	1.880	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=Cc2cc(F)ncc2F)cc1	807948142	XMEIMRXCEWKFSF-UHFFFAOYSA-N	316.267	1.761	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ncncc1F)CN1CCCCC1	292954280	HABYZNNDBOQJKE-NSHDSACASA-N	310.377	1.364	50	20	DDGD	
CC(C)(C)C(=O)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802099445	RRGXFZSSNULZHO-UHFFFAOYSA-N	307.306	1.183	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(F)c(C(=O)OC)c(F)c1	801841585	RLOLPWNZMSBVKS-UHFFFAOYSA-N	301.249	1.314	50	20	DDGD	
O=C(NCc1noc2c1CCCC2)NNC(=O)C1CCCC1	807617741	CXWAAOVJYLZSDV-UHFFFAOYSA-N	306.366	1.574	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)NCc1ccccn1	804031041	QXIZJXRFUZLADK-UHFFFAOYSA-N	318.308	1.130	50	20	DDGD	
CC(=NNC(=O)c1ccncc1)c1cnnn1-c1ccccc1	807941175	SEWARCNRECLNBC-UHFFFAOYSA-N	306.329	1.816	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccccc1NC(=O)C1CC1	815114430	QXXNNTDPKVDEQO-UHFFFAOYSA-N	318.377	1.779	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNc2ncnc3[nH]cnc23)cc1O	816929651	MDSFBJGYXBTYDY-UHFFFAOYSA-N	312.289	1.018	50	20	DDGD	
Cc1cc(F)c2c(c1)C(=NNC(=O)N=c1cc[nH]cc1)C(=O)N2	815003622	CERQDEFDTRHHAU-UHFFFAOYSA-N	313.292	1.429	50	20	DDGD	
Cc1nsc(C)c1C(=O)NNC(=O)c1ccc(C#N)cc1	814675687	SLTBDPXEQYYKJD-UHFFFAOYSA-N	300.343	1.706	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)Cc2nnc(C)o2)c(Cl)c1	813575850	FECCMBIORGKKPN-UHFFFAOYSA-N	323.740	1.735	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)NCCc2cccs2)n1C	811640738	YATDOTLYGXRJOD-UHFFFAOYSA-N	320.422	1.423	50	20	DDGD	
NC(=O)c1ccccc1C=NNC(=O)COc1ccccc1O	814952396	XWXXOXKPXLEVMZ-UHFFFAOYSA-N	313.313	1.020	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc3ccccc23)CO1	826070463	XDCUDMRBUXHDKB-AAEUAGOBSA-N	313.357	1.961	50	20	DDGD	
CCN(CCO)NC(=O)[C@H]1C[C@@H]1c1cc(OC)ccc1OC	823879208	IDQBDILUAQPKLK-OCCSQVGLSA-N	308.378	1.153	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NN=Cc1ccc(C#N)cc1	495208674	SQULKAPXRVGQAD-UHFFFAOYSA-N	316.361	1.923	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)C(F)(F)F	824040097	LIMAYNVZSRMEJH-ZCFIWIBFSA-N	300.244	1.508	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCN(C(=O)OC(C)(C)C)C1CC1	823912965	MNZIWKSJYZUAKU-LLVKDONJSA-N	315.414	1.120	50	20	DDGD	
Cc1cc(C)c(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)[nH]1	822194088	ICOGELVIWWPSGA-UHFFFAOYSA-N	309.333	1.576	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](CCC(C)C)NC(C)=O)n1	829482837	TWIHDBCCWGKHPM-GFCCVEGCSA-N	323.397	1.178	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)Nc1ccc2c(c1)OCO2)C(C)C	491553775	CLXJFCXZOWXWRI-LLVKDONJSA-N	318.333	1.409	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C(C)(C)C)[C@@H](C)NC(=O)OC(C)(C)C	496448663	DWPJXKXAZMPHFC-VHSXEESVSA-N	315.414	1.729	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CCO[C@H](CF)C2)cc(C#N)n1C	491161368	ODFDMNCIUAZZTB-KSKAUBAUSA-N	316.336	1.309	50	20	DDGD	
Cc1cccc2[nH]cc(CC(=O)NNC(=O)c3ccccn3)c12	728855461	RIRJVUMWIKPVGF-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
CC1(C(=O)NNc2cccc(S(C)(=O)=O)c2)CC(F)(F)C1	821738774	OBUBQXGFJIBYST-UHFFFAOYSA-N	318.345	1.969	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CCC[C@H]1c1ccccc1	823151627	AAUPHVURUIDVBC-LSDHHAIUSA-N	312.373	1.684	50	20	DDGD	
Cc1noc([C@@H](C)NC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)n1	490638175	LSRBUHQOUZJAER-SRCKSBHPSA-N	324.344	1.681	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@@H]1CC(C)=NO1	820121699	LHKMFHMNIBNQCE-NSHDSACASA-N	311.725	1.274	50	20	DDGD	
CC(C)OCc1cccc(CNCc2cccc(B(O)O)c2)c1	585017089	KWBLBODODIMQJN-UHFFFAOYSA-N	313.206	1.581	50	20	DDGD	
C[C@@]1(C(=O)NCCS(=O)(=O)CC2CC2)C[C@@H]1Br	907046097	VXMXSXNQSFDGFH-GXSJLCMTSA-N	324.240	1.101	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC[C@@H](n2ccnn2)C1	491014236	WQIJUNRFKQRONA-YVGNARHYSA-N	323.356	1.754	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccn(-c2cccc(F)c2)n1	732141395	IFSGJEBREYROSR-UHFFFAOYSA-N	302.309	1.573	50	20	DDGD	
CSc1ccc(CNCc2ccc(B(O)O)cc2F)cc1C	585028242	HWSZSXYIFYXGAP-UHFFFAOYSA-N	319.210	1.826	50	20	DDGD	
C[C@H](C(=O)NNc1cnccn1)N(C(=O)OC(C)(C)C)C1CC1	496692694	FHVGBZRCRRDACC-SNVBAGLBSA-N	321.381	1.708	50	20	DDGD	
CCOC(=O)[C@H]1CCCN(CC(=O)NCC(Cl)Cl)C1	908188504	WVPWGUSPVDHRBF-VIFPVBQESA-N	311.209	1.181	50	20	DDGD	
O=[N+]([O-])c1ccc(N2CC[C@@H](B(O)O)C2)c(Br)c1	585072359	AECRXHLBOIEUHA-SSDOTTSWSA-N	314.932	1.410	50	20	DDGD	
OB(O)[C@@H]1CCN(Cc2cnn(Cc3ccccc3)c2Cl)C1	585076546	OISOXLPHTBCEED-CQSZACIVSA-N	319.601	1.634	50	20	DDGD	
COc1ccc(-c2cc(C(=O)N3CC[C@@H](B(O)O)C3)no2)cc1	902551658	HARRKCBQDIUQPT-LLVKDONJSA-N	316.122	1.039	50	20	DDGD	
CCOCC(=O)NN=C(C)c1cc(OC)c(OC)c(OC)c1	731152725	QXNYRXSMQXOMJT-UHFFFAOYSA-N	310.350	1.589	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	831948787	DZQNZSZOLNVGEP-KGLIPLIRSA-N	318.377	1.496	50	20	DDGD	
C[C@H](NCc1ccccc1B(O)O)c1ccc2c(c1)CCC(=O)N2	585040810	QEHTXTZAHNOUQO-LBPRGKRZSA-N	324.189	1.102	50	20	DDGD	
COc1cc2c(cc1F)C(=NNC(=O)NCC1CC1)C(=O)N2	834945258	IUFVYVDFWFTKBK-UHFFFAOYSA-N	306.297	1.200	50	20	DDGD	
Cc1cc(C(=O)NCB(O)O)c2cc(Br)ccc2n1	585060511	SDKLTLLKBXSYSV-UHFFFAOYSA-N	322.955	1.048	50	20	DDGD	
C[C@]1(C(=O)N2CCC3(CC2)COC(=O)N3)C[C@H]1Br	907337597	SCDXFAOGDIYUBO-KCJUWKMLSA-N	317.183	1.261	50	20	DDGD	
COc1ccc2cc(C(=O)NNC(=O)c3cccnc3)[nH]c2c1	906441596	MVORYTQLHPXWSH-UHFFFAOYSA-N	310.313	1.646	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(F)c2)C1	837622528	UPCUJIWJVFMWQN-GFCCVEGCSA-N	323.368	1.096	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)[C@H]2CCCCO2)c(C)nc1C	833243551	UCAJSZYAIBORAB-CQSZACIVSA-N	319.361	1.231	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCCO1)c1ccc2c(c1)NC(=O)CO2	834989824	VWXAWEQZGATBCU-CQSZACIVSA-N	317.345	1.427	50	20	DDGD	
CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)[C@H]1CCCC[C@@H]1C	834956294	OBCJIAMCTNACTF-DLOVCJGASA-N	303.428	1.243	50	20	DDGD	
CC(C)(C)CCNC(=O)NNC(=O)COCc1ccccc1	738450164	GVRUKWUUNZDLKM-UHFFFAOYSA-N	307.394	1.970	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCCCN(C)C2CC2)n1	836687070	NCFIKMIPWMXICJ-UHFFFAOYSA-N	322.413	1.294	50	20	DDGD	
COCCN(C)NC(=O)C1(CCOCc2ccccc2)CC1	837625937	XPLAFLVOQBSOLW-UHFFFAOYSA-N	306.406	1.983	50	20	DDGD	
Cc1cc(C)n([C@H](C)CC(=O)NNC(=O)c2ccncc2)n1	915799701	BQZGXHVVKJZCAE-GFCCVEGCSA-N	301.350	1.307	50	20	DDGD	
CCCCS[C@H](C)C(=O)NNC(=O)C(=O)NC(CC)CC	740851158	SLGJLOGGTGPGFU-SNVBAGLBSA-N	317.455	1.360	50	20	DDGD	
CNS(=O)(=O)c1ccc(C(C)=NNC(=O)CC(C)C)cc1	916343822	IRMLMRRTJWRGHJ-UHFFFAOYSA-N	311.407	1.481	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2c(C)cccc2F)n1	745891128	SRQGNNANRXBZAL-UHFFFAOYSA-N	305.313	1.759	50	20	DDGD	
Cc1cc(C)c(S(=O)(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)s1	842588709	DFXNIJRKDIPIPE-NXEZZACHSA-N	318.420	1.099	50	20	DDGD	
Cc1cnc(CNC(=O)NNC(=O)c2cccc(C#N)c2)s1	743589950	NJFFIYTZZQFCFR-UHFFFAOYSA-N	315.358	1.467	50	20	DDGD	
CCOc1cc(C=NNC(=O)[C@@H](C)OCCOC)ccc1OC	748260344	RKONOOGHTONBPB-GFCCVEGCSA-N	324.377	1.596	50	20	DDGD	
CC(F)(F)CCC(=O)NNC(=O)c1ccc2c(c1)OCCO2	915696253	RTNWQYKNHQWBEX-UHFFFAOYSA-N	314.288	1.654	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CC(=O)NNc1ccccc1[N+](=O)[O-]	743734059	BYMNWIQTDPTVDU-UHFFFAOYSA-N	320.265	1.151	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ncccn2)cc1C1CC1	841351690	BJFAZAUSRWMYAF-UHFFFAOYSA-N	312.329	1.437	50	20	DDGD	
COc1ccc([C@@H](C)C(C)=NNC(=O)C(=O)N2CCCC2)cc1	747630709	RQIOTMWAACPNJD-LBPRGKRZSA-N	317.389	1.913	50	20	DDGD	
CCC[C@@H](C)N1C[C@@H](C(=O)NNC(=O)CC(F)(F)F)CC1=O	918367061	KUGSIMPJXOYYMW-BDAKNGLRSA-N	323.315	1.123	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(C(F)(F)F)nc1	843646260	VSWSTGIQYUXEJW-CBAPKCEASA-N	317.267	1.286	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCCc1nc(-c2cccs2)no1	910171565	XWBDHBBSIZDKPE-JTQLQIEISA-N	324.406	1.465	50	20	DDGD	
O=C(NNc1cccnn1)c1ccc(C(=O)c2cc[nH]c2)cc1	748853315	FMFSGQLTCXOOTH-UHFFFAOYSA-N	307.313	1.793	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=C1CCCc2ccccc21	743445859	GXZPGRIAIVUYEC-UHFFFAOYSA-N	312.329	1.287	50	20	DDGD	
Cc1cnn(CCC(=O)NNC(=O)c2ccc(Cl)cc2O)c1	918361490	DWYZJMQHXKEXLV-UHFFFAOYSA-N	322.752	1.402	50	20	DDGD	
O=C(NCC1=CCNCC1)NNC(=O)c1ccc(Cl)cc1	841972001	SCZDVSNVMDUVCY-UHFFFAOYSA-N	308.769	1.204	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2ccn(C(C)C)n2)n1	746769023	JBCNYDJOMGIYLB-UHFFFAOYSA-N	319.369	1.397	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)[C@H]1CCOC2(CCC2)C1	913826603	XKOGTXLSIJAILO-NSHDSACASA-N	320.418	1.749	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H]1CCN(Cc2ccccc2)C1	847393780	HTZJQQJNCROCMF-AWEZNQCLSA-N	304.394	1.249	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@H]2NC(=O)O[C@@H]2C)cc1C	841439445	YCTQFXWZOPZQBV-SKDRFNHKSA-N	321.333	1.112	50	20	DDGD	
CCOc1cc(C=NNC(=O)NCCCOC)ccc1OC	920833052	DLJLPRZLDVVDTB-UHFFFAOYSA-N	309.366	1.764	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccc(Cl)cc1)[C@H]1CCCNC1	841929605	WQTDNVOUSHOPFX-JQWIXIFHSA-N	324.812	1.672	50	20	DDGD	
CCN(CC)C(=S)SCC(=O)NNC(=O)C(C)(C)C	742447232	CMQUAXXYILCOSX-UHFFFAOYSA-N	305.469	1.540	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=C1CCN(C)[C@@H](C)C1	741455012	JXOOVKKSRPBISY-BYNSBNAKSA-N	324.469	1.318	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(F)c(F)c(F)c1F	843638625	DAQJFQCAZVJYOO-NTSWFWBYSA-N	320.242	1.429	50	20	DDGD	
C[C@@H]1O[C@H](C)C[C@H]1CNC(=O)NNC(=O)c1ccccc1F	840434159	NQZWOLOGDFHTSU-VWYCJHECSA-N	309.341	1.583	50	20	DDGD	
CC(=O)N1CC[C@@H](NC(=O)NNc2ccc(Cl)cc2F)C1	923370165	DIEVSVZOKVKSEF-SNVBAGLBSA-N	314.748	1.726	50	20	DDGD	
CCONC(=O)CNC(=O)NNc1ccc(Cl)c(C)c1	923080520	YUZKZYGFGFYQDI-UHFFFAOYSA-N	300.746	1.342	50	20	DDGD	
COC(=O)CCC(C)=NNC(=O)CSc1nc(C)cc(C)n1	756870719	MOBOGJKMIZELKC-UHFFFAOYSA-N	324.406	1.631	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1ccc(Cl)c(F)c1	755927795	UDGFJAVDYCSMBE-UHFFFAOYSA-N	309.688	1.736	50	20	DDGD	
CC[C@](C)(O)C(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1	929331277	VHMMMHDLPZKTLH-INIZCTEOSA-N	324.377	1.404	50	20	DDGD	
CC(=NNC(=O)Cn1c(C)nc2ccccc21)c1cnn(C)c1	920827141	VASVRCAZLBIRGK-UHFFFAOYSA-N	310.361	1.619	50	20	DDGD	
CCCNC(=O)NNC(=O)c1c(C)c2ccccc2oc1=O	750610898	SFVSDJMGTPKKED-UHFFFAOYSA-N	303.318	1.455	50	20	DDGD	
CC[C@@H]1CC(=NNC(=O)c2cc([N+](=O)[O-])ccc2O)CCO1	756829429	PGMMVVZKBIFICR-LLVKDONJSA-N	307.306	1.975	50	20	DDGD	
Cc1cc(CNC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)ncn1	757212702	WMILZAXCLGHVHP-RZNTYIFUSA-N	320.356	1.527	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)NCC1CC=CC1	858198295	SIRDLHLMANYLDY-UHFFFAOYSA-N	312.373	1.938	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1	755960198	GKMSLTAXUQKTSK-ZDUSSCGKSA-N	323.349	1.044	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1ccccc1-n1cccn1	755861917	KBRJNOTUNAMHBV-UHFFFAOYSA-N	323.316	1.129	50	20	DDGD	
O=C(NNC(=O)c1scnc1Br)c1ccc[nH]1	757701277	JZILQVRWCRRYQH-UHFFFAOYSA-N	315.152	1.309	50	20	DDGD	
COc1ccc(OCC(=O)NN=C(C)c2cnn(C)c2)cc1	920825823	JQGPGRDSWDVRED-UHFFFAOYSA-N	302.334	1.348	50	20	DDGD	
CN1C(=O)CC[C@H]1C(=O)NNc1ncccc1C(F)(F)F	753421520	CAPZTQQMQXJOHH-QMMMGPOBSA-N	302.256	1.164	50	20	DDGD	
O=C(CNC(=O)C1CCCCC1)NNc1ncccc1[N+](=O)[O-]	759289349	BQXQYEAYGVCPPW-UHFFFAOYSA-N	321.337	1.129	50	20	DDGD	
COc1cccc(-c2cc(C(=O)NNC(=O)NC(C)C)on2)c1	858866110	UOJRUOWOQLDAGH-UHFFFAOYSA-N	318.333	1.703	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@](C)(O)c2ccco2)c1	858705992	LENPGCYDTUXIIM-AWEZNQCLSA-N	323.374	1.501	50	20	DDGD	
CSSCCNC(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1	852315870	YLHOKRQKRKSOEO-VHSXEESVSA-N	303.453	1.308	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@]1(C2CCCC2)CCNC1=O	858110838	KGYRVZLDHOFDON-OAHLLOKOSA-N	311.382	1.239	50	20	DDGD	
N#C/C=C(/c1ccccc1)N1CCN(S(=O)(=O)C2CC2)CC1	859483499	ATEUEMZDIRADGM-PXNMLYILSA-N	317.414	1.661	50	20	DDGD	
CC(C)c1ccc(CCC(=O)NNC(=O)c2cc[nH]n2)cc1	855359158	HNHWGOHEUBYALC-UHFFFAOYSA-N	300.362	1.927	50	20	DDGD	
CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(C)cc1C	920383084	BGTDSYHVFGIVJC-CYBMUJFWSA-N	323.418	1.514	50	20	DDGD	
COCCCC(C)=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1	759197070	PMCWAAHFYGSKPB-SNPRPXQTSA-N	313.442	1.650	50	20	DDGD	
O=C(NNC(=O)c1ccc(O)c(Cl)c1)Nc1cnns1	755363418	OGQJJOPZKPOGGE-UHFFFAOYSA-N	313.726	1.364	50	20	DDGD	
COC(=O)CCC(C)=NNC(=O)Cc1cn2ccccc2n1	756895043	FHJMDXQSOACZGH-UHFFFAOYSA-N	302.334	1.322	50	20	DDGD	
COC[C@H](NC(=O)NC[C@]1(C)C[C@@H]1Br)C1CC1	856842390	FUHATSHUCRCSDU-NHCYSSNCSA-N	305.216	1.884	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@@H](NC(=O)NNc2ncc(Cl)cn2)C1(C)C	856880300	BJXBSSFIUANQKE-SZEHBUNVSA-N	313.789	1.816	50	20	DDGD	
CC[C@@H](O)CNC(=O)/C(C#N)=C\c1cc(C)n(CCOC)c1C	855742110	LDVXRJONMAUZMJ-QOBZYLRHSA-N	319.405	1.545	50	20	DDGD	
CNC(=O)NNC(=O)[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1	930585129	DSFBDFFLXLIFMB-INIZCTEOSA-N	321.377	1.361	50	20	DDGD	
C=CCCn1cc(C=NNC(=O)NCCc2cccs2)nn1	853295396	JCHPHDKIIZPIGX-UHFFFAOYSA-N	318.406	1.792	50	20	DDGD	
CN(C)C(=O)c1ccc(C=NNC(=O)Cc2ccccc2F)[nH]1	752165424	RVDQUVOBIGLFLV-UHFFFAOYSA-N	316.336	1.548	50	20	DDGD	
C[C@H](NC(=O)C(C)(C)C)C(=O)NNCC(F)(F)C(F)(F)F	863091523	KHETWKLTBFZLQO-LURJTMIESA-N	319.274	1.356	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cnn(C2CCC2)c1	935196908	XLLYQITURJZMLI-UHFFFAOYSA-N	313.452	1.080	50	20	DDGD	
CC(C)(C)NCCC(=O)NNC(=O)c1cccc2cccnc12	931189179	VVHQIJMFSJDLJB-UHFFFAOYSA-N	314.389	1.774	50	20	DDGD	
CC(C)C[C@@H](C)n1nccc1NC(=O)NNC(=O)c1cn[nH]c1	860922992	KYFJFELNVNPHOP-SNVBAGLBSA-N	319.369	1.680	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2cccc(OC3CCCC3)c2)N1	863144725	FBHVZNXQDZDFAT-OAHLLOKOSA-N	315.373	1.737	50	20	DDGD	
O=C(NC[C@@H]1CCCCN1C1CC1)NNC(=O)c1ccccc1	764760566	IXPHHFAPURPUCL-HNNXBMFYSA-N	316.405	1.648	50	20	DDGD	
COCCN(C)CCCNC(=O)[C@@H](Br)C(C)(C)C	767034465	WYZUNDXLIBCEFN-LLVKDONJSA-N	323.275	1.881	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)C(=O)Nc1ccc(C2CC2)cc1	764071811	YIMBXWSYJLOGFU-UHFFFAOYSA-N	315.373	1.840	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2C[C@H]3CCC[C@H]2C3)cc1	934377041	FHWVWAJWNHZXMY-ZFWWWQNUSA-N	301.390	1.630	50	20	DDGD	
COC[C@@H]1CCCCN([C@H](C)C(=O)NNC(=O)CC(C)C)C1	767940776	MFDFRQBRWJAQEO-ZIAGYGMSSA-N	313.442	1.317	50	20	DDGD	
CC1CC(C#N)(C(=O)NNc2ccccc2S(C)(=O)=O)C1	766663884	VVUMMDUHWCMWEF-UHFFFAOYSA-N	307.375	1.473	50	20	DDGD	
Cc1cc(C)c(C=NNC(=O)[C@@H](C)CN2C[C@H](C)O[C@H](C)C2)[nH]1	760243448	ZQHMUUDHFMPKCT-AEGPPILISA-N	320.437	1.827	50	20	DDGD	
C[C@H]1Oc2ccc(NC(=O)NNc3cnccn3)cc2NC1=O	769942231	HXXBIQCTCTYAQR-MRVPVSSYSA-N	314.305	1.345	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2C[C@H]2OCC)c1	865271329	DBGPXIGHGYEUPI-CHWSQXEVSA-N	303.387	1.411	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cc2n(n1)CCCO2	761389425	CZNZMGLDEABZOL-UHFFFAOYSA-N	303.278	1.331	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1ccccc1N(C)C	769585373	NVARXEITVQTSCT-ZDUSSCGKSA-N	307.394	1.644	50	20	DDGD	
COc1ccc(NNC(=O)CN2CCCCC2=O)c([N+](=O)[O-])c1	768332286	SCYDAOMGBHXKRN-UHFFFAOYSA-N	322.321	1.059	50	20	DDGD	
COc1cc(C#N)ccc1S(=O)(=O)NNC(=O)C1CCCC1	766358670	XNAYQIJRBCGCLP-UHFFFAOYSA-N	323.374	1.067	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1Cl	766447422	NSOKPIFFSMBAOJ-SECBINFHSA-N	317.798	1.036	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(C#N)c2)C[C@@H](C)O1	767209097	BTDKZDAUZPMQSM-GNXNZQSNSA-N	316.361	1.458	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2c(C)nc3sc(C)nn23)n[nH]1	765585119	XDRPJXVQMYHCSB-UHFFFAOYSA-N	303.351	1.203	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1	878204794	YMLFXACWJIPOFZ-ZDUSSCGKSA-N	323.349	1.979	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]21	762622756	CDTXECCXZMPBSO-KXUCPTDWSA-N	303.453	1.352	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)CCOCc1ccccc1	872363432	FCGOBHFGTUSQIR-UHFFFAOYSA-N	307.350	1.441	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2	778592956	UXTXPQLQMYTMLA-UHFFFAOYSA-N	321.289	1.275	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1cc(Cl)ccc1F	878012344	JFKCWBFFEPNAIX-UHFFFAOYSA-N	319.720	1.295	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C2(N(C)C)CC2)cc1C	873762114	ORWSSOSMOXIVPW-UHFFFAOYSA-N	306.435	1.715	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)Cc2ccc(F)cc2)c(C)c1	779870057	WYXAMMLHROBNHU-UHFFFAOYSA-N	301.321	1.841	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)N[C@H]1CC12CCC2	876425390	BAODCKCZEHVLCQ-MFKMUULPSA-N	321.352	1.866	50	20	DDGD	
COCC(=O)N[C@H](C(=O)OC[C@H](C)CBr)C(C)C	770381342	BYGFCZRJPFOKDD-KOLCDFICSA-N	324.215	1.348	50	20	DDGD	
COCCOCC(=O)NN=Cc1cn(C)nc1-c1ccc(C)o1	872400543	UWNBUFCHQGDXOF-UHFFFAOYSA-N	320.349	1.102	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cc(O)nc(C2CC2)c1	771401774	PXSHOYGCKUVCQZ-UHFFFAOYSA-N	312.329	1.063	50	20	DDGD	
N#Cc1ccsc1NC(=O)C(=O)NNc1cncc(Cl)n1	1117711541	DHDUCFSSOAPVNT-UHFFFAOYSA-N	322.737	1.145	50	20	DDGD	
Cn1nc(C(=O)NN=C2CC3(CCC3)C2)c2ccccc2c1=O	772837558	UZZNSULSKMKSPS-UHFFFAOYSA-N	310.357	1.983	50	20	DDGD	
COCCOCCC(=O)NNc1ccc(F)c([N+](=O)[O-])c1	771591116	WFGSKTBGBMVIMP-UHFFFAOYSA-N	301.274	1.230	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2CCN(C)C2=O)c(C)c1	873759508	VQVYRPRHZMSWED-LLVKDONJSA-N	320.418	1.099	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(C(=O)NC2CC2)cc1	878106052	KMBXZBQZEUWSAI-UHFFFAOYSA-N	306.366	1.194	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H]1CCN(Cc2ccccc2)C1	875546342	WZEYKRDJKZWTPI-CQSZACIVSA-N	320.393	1.421	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NC1CCN(CC#N)CC1	771319793	NANOOEDMHUYBSR-UHFFFAOYSA-N	305.357	1.748	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)Cc1ccccc1F	772139903	ODWSJNWBWWQKGY-MNOVXSKESA-N	324.352	1.493	50	20	DDGD	
O=C(CCN1CCOC1=O)NNc1c(F)cc(F)cc1F	885150675	GEEWSAYWEKIUQP-UHFFFAOYSA-N	303.240	1.389	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C(F)=C1CCCC1	772185528	XVQOUCRMJXCTNS-SNVBAGLBSA-N	314.357	1.909	50	20	DDGD	
C[C@H](CBr)CN1CCC[C@@H](N2CCNC2=O)C1	770652469	KBCDEQRCLIFOIL-GHMZBOCLSA-N	304.232	1.507	50	20	DDGD	
O=C(NNC(=O)C1(F)CCCC1)[C@@H]1COc2ccccc2O1	771854475	SKWJUKVUMKAGED-LBPRGKRZSA-N	308.309	1.256	50	20	DDGD	
CC[C@@H](CO)C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	779579677	QZGZDQVQZWCVNY-STQMWFEESA-N	308.378	1.237	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1c(C(F)F)nc2ccccn12	887152966	CKGHZNQGPSKUHH-UHFFFAOYSA-N	320.299	1.836	50	20	DDGD	
CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)C1CCOCC1	883692596	HMPDOCITAQPGFU-OLZOCXBDSA-N	311.426	1.958	50	20	DDGD	
C[C@@H]1CN2CCN1C[C@H]2C(=O)NNc1ccc(Cl)cc1F	1124048492	MHJZIKSQXPLDFP-RNCFNFMXSA-N	312.776	1.311	50	20	DDGD	
CC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)c1cc(C)nn1C	788974357	DLWRPVMKEHULMC-UHFFFAOYSA-N	316.321	1.373	50	20	DDGD	
C[C@H]1CN(CC(=O)NNC(=O)c2ccccc2)CC(C)(C)C1	784347816	GFFDWZWZGAGZCE-CYBMUJFWSA-N	303.406	1.816	50	20	DDGD	
CC(=O)OCCCSCC(=O)NNC(=O)c1ccc(C)cc1	788513382	RBWKWUBEXNBZER-UHFFFAOYSA-N	324.402	1.442	50	20	DDGD	
CCOC(=O)[C@H](Cc1ccccc1)NNC(=O)C1CCCC1	783569032	HPCPTNVSVCRPNC-HNNXBMFYSA-N	304.390	1.972	50	20	DDGD	
Cc1cccnc1C(F)(F)C(=O)NNc1nc2ccccn2n1	787576948	ISDHOBOTBZNDKC-UHFFFAOYSA-N	318.287	1.668	50	20	DDGD	
Cc1ccnc2c1NC(=O)CN2S(=O)(=O)CCCCl	882031599	JCMYSSZOTJEICC-UHFFFAOYSA-N	303.771	1.107	50	20	DDGD	
CCOC(=O)C1(CC(=O)NNc2nccc(OC)n2)CCC1	789739141	RJPIBXHPPQMFMF-UHFFFAOYSA-N	308.338	1.052	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@H](C(=O)NNc2cc(F)c(F)c(F)c2)C1	787133626	HTIQHPVQSNNYDQ-SFYZADRCSA-N	315.295	1.839	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCS1)c1ccc2c(c1)OCO2	783030677	NIYVVOBNNVQBSD-LBPRGKRZSA-N	308.359	1.462	50	20	DDGD	
O=C1CSc2ncc(C(=O)NNc3ccnc(F)c3)cc2N1	781368692	SOBOCVGKCVRKAA-UHFFFAOYSA-N	319.321	1.417	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1ccc(F)cc1Br	785462586	HQFOSNKDSFLNBH-UHFFFAOYSA-N	303.131	1.809	50	20	DDGD	
O=C1CC[C@@H]2[C@@H]1[C@@H]2C(=O)NNc1ccc(Br)nc1	894768553	KODXUEQIAHCDJF-PPKCKEKNSA-N	310.151	1.512	50	20	DDGD	
COC(=O)CCCNC(=O)NNc1ccc(Cl)c(OC)c1	788848620	JSRYFDGHFUSZRT-UHFFFAOYSA-N	315.757	1.928	50	20	DDGD	
Cn1cc(-c2n[nH]cc2C(=O)NNc2ccccc2F)cn1	780948132	FLDGZKHGPYWGTF-UHFFFAOYSA-N	300.297	1.706	50	20	DDGD	
CNC(=O)NN=C(C)c1cc(Br)cc(F)c1O	783831081	HPBKUNRAVOADSJ-UHFFFAOYSA-N	304.119	1.947	50	20	DDGD	
CCc1cc(C(=O)NNc2cccc(C(=O)OC)c2)cc(O)n1	780796163	LYXDIIMUAGRUFB-UHFFFAOYSA-N	315.329	1.893	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NC[C@H]1CCN1C(=O)OC(C)(C)C	899236848	SVFPRVRJIFFFNG-UCQJPZFISA-N	309.366	1.556	50	20	DDGD	
CC(=NNC(=O)c1cc(-c2ccccc2)[nH]n1)c1ccc(O)nn1	790144268	LAXWHRPSDYIIGI-UHFFFAOYSA-N	322.328	1.726	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H](C)c2cccc(O)c2)n1	793011081	VBGGGBROFQTZCD-LLVKDONJSA-N	314.345	1.801	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)NC1CCCC1	793255067	NXPSIPWPXBLWJK-AZSZRZGFSA-N	315.417	1.653	50	20	DDGD	
COc1cc(C)cc(C(=O)NNC(=O)c2cccc(C)n2)c1O	794085998	CIRXOUYDMLYSKA-UHFFFAOYSA-N	315.329	1.487	50	20	DDGD	
COc1ccc([C@@H]2C[C@H]2NC(=O)NNC(=O)c2ccc[nH]2)cc1	793382007	GYCVNNXMHMINPR-GXTWGEPZSA-N	314.345	1.523	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=C1CSC[C@H]1C	794878203	FIZDLRPCDVGFKA-UMSGYPCISA-N	313.467	1.587	50	20	DDGD	
O=C(Cc1ncccc1F)NNc1nc(-c2ccccc2)no1	792157723	PQKJQEMGDHZJGE-UHFFFAOYSA-N	313.292	1.957	50	20	DDGD	
CCCNC(=O)/C(C#N)=C\c1ccc(OCC(=O)O)c(OC)c1	797314545	FRZVDNLMXMVLGS-GHXNOFRVSA-N	318.329	1.592	50	20	DDGD	
COc1ccc(C(=O)NNS(=O)(=O)c2ccccc2C)cc1	1318251154	WMHKYJUZAHULPM-UHFFFAOYSA-N	320.370	1.627	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H](C)CC(=O)OC(C)(C)C	1327240419	XIIURFCKWFXFMV-SNVBAGLBSA-N	301.387	1.483	50	20	DDGD	
CCOc1nc(C(=O)NNC(=O)c2ccc(OC)cc2)co1	1321333908	FYSSZQJWSAJYKV-UHFFFAOYSA-N	305.290	1.157	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC2(CC1)CC(=O)N2	1327798593	ZUQBGTUQJAUBCM-SNVBAGLBSA-N	317.227	1.677	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@]2(C)CCOC2)cc1	1256696973	LYNURRPMOKZIOG-OAHLLOKOSA-N	306.366	1.332	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(C(C)(C)C)nn1)c1cnn(C)c1	1339625062	SWZJFEOWKGYWLA-SNVBAGLBSA-N	317.397	1.895	50	20	DDGD	
CC(C)(Oc1ccccc1)C(=O)NNC(=O)CC(F)(F)F	1339604126	HVCDZHVDVFTKAO-UHFFFAOYSA-N	304.268	1.944	50	20	DDGD	
O=C(CO[C@@H]1CCOC1)NNc1nc2ccccc2[nH]c1=S	1331671470	UQOKOUBYZWYFSK-SECBINFHSA-N	320.374	1.541	50	20	DDGD	
O=C(NNC(=O)N1CC[C@@H]2CCCC[C@@H]2C1)c1ncccn1	1261373338	ASUINJXXMYDELD-NWDGAFQWSA-N	303.366	1.343	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(=NCc2ccccc2)cc[nH]1	1348747205	QQDBEBGMACILRY-ZDUSSCGKSA-N	314.389	1.073	50	20	DDGD	
Cc1nn(C)c(Br)c1C(=O)NNc1ncccn1	1344676833	PMIXEKHNJCZFEX-UHFFFAOYSA-N	311.143	1.038	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)[C@@H]1CN2CCN1C[C@@H]2C	1347663133	NMDMELUGMUGEHA-AAEUAGOBSA-N	308.813	1.480	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@@H]2OCCC[C@@H]2C1	1340898804	XUFJYIXKBZJHJP-MJBXVCDLSA-N	311.426	1.069	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H](NC(=O)NNc2cc(Cl)ccn2)C1	1354287316	WZIUQGRWPQSKPA-SCZZXKLOSA-N	312.757	1.703	50	20	DDGD	
Cn1nc(C(=O)O)cc1NC(=O)[C@@H](Br)C(C)(C)C	1601002375	NMTQFXXCKPUSMD-MRVPVSSYSA-N	318.171	1.866	50	20	DDGD	
Cc1cnn(C)c1NC(=O)NNc1cccc(C(=O)O)c1C	1600635911	UBSAGTWREGTTTG-UHFFFAOYSA-N	303.322	1.884	50	20	DDGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cnn(C)c2)c(C(=O)O)c1	1607797429	BJJVKZXNTPIFGF-WUXMJOGZSA-N	310.313	1.972	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc(/C=C\C(=O)O)o1	1605429455	GSZCURCBGAYSNG-CBVADEIJSA-N	307.350	1.559	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cccc(-n3cncn3)c2)c1	1608936275	JVHYHXQMINGKDG-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
N#CC1(CC(=O)NNc2ccc(CC(=O)O)cc2)CCOCC1	1608176327	SZBABYCEFSLPMB-UHFFFAOYSA-N	317.345	1.467	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1cnc(-c2cccs2)s1	1608754587	QGPGRBCCSFLROK-UHFFFAOYSA-N	310.360	1.589	50	20	DDGD	
O=C(O)COc1ccc(C(=O)NNc2cccc(F)n2)cc1	1602081192	MKQDVOARWRTSDP-UHFFFAOYSA-N	305.265	1.441	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1C[C@H](C(=O)O)c2ccccc21	1604341050	BMGPSCSXMNQRNL-WDEREUQCSA-N	307.306	1.212	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1ccc(C(=O)O)cc1F	1610700314	PORVBFSKWISBJU-UHFFFAOYSA-N	318.264	1.385	50	20	DDGD	
CC(Cc1ccc(F)cc1)=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549319336	HLTMQXODKCJWED-HOTGVXAUSA-N	319.380	1.724	50	20	DDGD	
COC[C@@H](CNS(=O)(=O)c1ccc(CCCl)cc1)OC	227703188	DFAZYRNGTPAJNA-GFCCVEGCSA-N	321.826	1.408	50	20	DDGD	
COc1ccc(CC(=O)NNc2ccc(C(=O)O)cn2)cc1F	1610328405	VVTVSTUCAYCXRY-UHFFFAOYSA-N	319.292	1.613	50	20	DDGD	
CC(C)c1ncc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)s1	1549320091	YBNVLHGVCMLSKZ-DGCLKSJQSA-N	322.434	1.580	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@H](C(C)C)[C@H](C)N	1579310594	SZONMWZVQIRYNG-GXFFZTMASA-N	324.450	1.632	50	20	DDGD	
Cc1nn(C)c2nc(Cl)cc(NNC(=O)[C@@H]3CCN[C@@H]3C)c12	1579891658	QJTBNVFJNLIOCX-VXNVDRBHSA-N	322.800	1.371	50	20	DDGD	
O=C(NNc1cccc(F)c1Br)[C@@H]1CNCCO1	1580739893	SDGJULFQLPJXJX-VIFPVBQESA-N	318.146	1.020	50	20	DDGD	
CC(C)(C)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl	1847558375	LDVIZLDIDXXVHN-SDDRHHMPSA-N	316.829	1.224	50	20	DDGD	
COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)C1(C)CC1)C2	1846361264	HVPSIASBIGNHQJ-LLVKDONJSA-N	314.813	1.244	50	20	DDGD	
C=C[C@@H](O)C(=O)NNc1cc(C(=O)O)ccc1Br	1588705899	RVACVMVSKQTZCT-SECBINFHSA-N	315.123	1.137	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NN[C@H](C(=O)O)C2CC2)cc1	1597129451	AMJKPXKLTBBGKN-HZMBPMFUSA-N	322.361	1.337	50	20	DDGD	
COC(C)(C)C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1841108154	BZKZPOAGHPYXHK-VIFPVBQESA-N	306.765	1.149	50	20	DDGD	
C[C@@H](CC=NNC(=O)[C@H]1OCC[C@H]1c1ccccc1)C(=O)O	1592469693	ACFIKOLBCCQJOE-UBHSHLNASA-N	304.346	1.772	50	20	DDGD	
CNC(=O)/C(C#N)=C/c1ccc(F)c(-c2nn[nH]n2)c1Cl	1591198014	DJZMSPBRAJNNTM-QPJJXVBHSA-N	306.688	1.312	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@]2(C(=O)O)CC=CCC2)c1	1594436020	QXINMYMKVZXAJO-AWEZNQCLSA-N	308.359	1.629	50	20	DDGD	
C[C@H](NC(=O)c1ccco1)C(=O)NNc1cccc(C(=O)O)c1	1599902911	PWJDBERKRAQAPS-VIFPVBQESA-N	317.301	1.239	50	20	DDGD	
O=C(NN=Cc1ccc(O)c(O)c1)c1ccc(-c2nn[nH]n2)cc1	1593154989	UDASGDGGUDYMLB-UHFFFAOYSA-N	324.300	1.042	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1ccc(CC(=O)O)cc1)C1CC1	1599050491	RZNJKPKBHJVFSK-ZDUSSCGKSA-N	307.350	1.365	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NNc2ccc(C(=O)O)cn2)C1	1594623454	CUNIKTYTGIHBKL-LDYMZIIASA-N	315.333	1.312	50	20	DDGD	
COc1c(C=NNC(=O)Nc2ccc(C(=O)O)cc2)cnn1C	1776046434	PXQZCMPRMMPJIB-UHFFFAOYSA-N	317.305	1.283	50	20	DDGD	
O=C(O)c1cc(F)c(C=NNC(=O)c2ccccn2)c(F)c1	1776028452	WONWENNOLWQIFB-UHFFFAOYSA-N	305.240	1.822	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)NC1CCCCC1	5671413	ABSCOMDFDLXOMT-UHFFFAOYSA-N	306.322	1.872	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1cccc(N2CCC(C)CC2)c1	161280306	LVJBXETVUKEXKH-UHFFFAOYSA-N	318.377	1.029	50	20	DDGD	
C[C@H]1CC(=O)CC[C@@H]1C(=O)NNC(=O)COCc1ccccc1	162558023	IKVXWDVOJYEVLH-WFASDCNBSA-N	318.373	1.356	50	20	DDGD	
CN1CC[C@H](NC(=O)NNc2ccc(OC(F)F)cc2)C1=O	163879249	NGDZQHMJOABHEL-JTQLQIEISA-N	314.292	1.145	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc3ccccc3nc2C)[nH]n1	153324847	BUXSYESODZZYCD-UHFFFAOYSA-N	309.329	1.650	50	20	DDGD	
CC[C@H](CC(=O)NNC(=O)C(=O)NC(C)C)c1ccc(C)cc1	155088700	YXCKLSZUCVMOLJ-CYBMUJFWSA-N	319.405	1.551	50	20	DDGD	
C[C@@H](OC1CCCCCC1)C(=O)NNC(=O)c1cccnc1	155559871	PLNZBFBOJUNZCA-GFCCVEGCSA-N	305.378	1.971	50	20	DDGD	
O=C(NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)NNC(=O)c1ccc[nH]1	155587401	RKVUMZBXGLBMDG-NFAWXSAZSA-N	310.357	1.545	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@H]1CCCN(CC(F)(F)F)C1=O	157206063	WPTPDDIGSKNKQK-PCYYEKQGSA-N	319.283	1.100	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cc(N2CCNC2=O)ccc1F	156273272	MAPZQPGIDWPVFA-UHFFFAOYSA-N	322.340	1.162	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@H]1CCn2cncc2C1	154143379	MIOCFUHLDHSGDT-JTQLQIEISA-N	301.306	1.497	50	20	DDGD	
C[C@H](NS(=O)(=O)CCCCCl)[C@H](O)Cc1ccccc1	154787882	TUHLBJLKZCAUHI-GXTWGEPZSA-N	319.854	1.917	50	20	DDGD	
CN(CCN1CCCCC1)S(=O)(=O)CC(C)(C)CCl	867465402	YWCTURWYXZUIOE-UHFFFAOYSA-N	310.891	1.999	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	299309574	DVXSOKNJBZTDIM-UHFFFAOYSA-N	307.350	1.106	50	20	DDGD	
C[C@@H](CBr)CN1CCCC[C@@H]1CS(C)(=O)=O	831782160	FHINZYLYKCBDHI-WDEREUQCSA-N	312.273	1.917	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1ccc([N+](=O)[O-])c(O)c1	114893743	FRQBBLACRIROIO-UHFFFAOYSA-N	309.669	1.501	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)c2ccc(C)cc2O)cc1	111572914	IHNWVXLJJZHMFS-UHFFFAOYSA-N	312.325	1.978	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1coc(-c2ccc(Cl)cc2)n1	104328709	FYSKEZKBGLOXAT-UHFFFAOYSA-N	322.752	1.888	50	20	DDGD	
O=C(CCc1ccoc1)NNC(=O)c1ccc2c(c1)OCCO2	177090095	BKURPBWLIXPJAJ-UHFFFAOYSA-N	316.313	1.445	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1cccnc1OCC(F)F	179340782	NZDAFZPSBJNWFV-DHZHZOJOSA-N	311.288	1.786	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cc(C)nn2C)c(O)c1	52797423	TYNXKAZXPUJVRI-UHFFFAOYSA-N	303.322	1.209	50	20	DDGD	
CCC[C@@H](C)N1C[C@H](C(=O)NNC(=O)c2ccc(C)o2)CC1=O	176213536	RTOZTYZLXAXSNG-ZYHUDNBSSA-N	321.377	1.386	50	20	DDGD	
CC(C)NC(=O)NNC(=O)Cc1coc(-c2ccccc2)n1	63269785	IZFACVBUHVJBLK-UHFFFAOYSA-N	302.334	1.623	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cc2c(s1)CCCC2	27338527	UCNPSWXIEMBDQZ-UHFFFAOYSA-N	309.391	1.314	50	20	DDGD	
CCc1ccccc1N1C[C@H](C(=O)NNC(=O)C2CC2)CC1=O	26967560	WOHSKEQWEJTOAH-CYBMUJFWSA-N	315.373	1.159	50	20	DDGD	
Cc1cc(NNC(=O)c2nccnc2N)ccc1Br	114888389	WGFIEUVBBAQLFT-UHFFFAOYSA-N	322.166	1.887	50	20	DDGD	
Cc1c(CCC(=O)NNC(=O)NC2CCCCC2)cnn1C	179325998	GBYJOPXNAGAVFJ-UHFFFAOYSA-N	307.398	1.324	50	20	DDGD	
O=C(NNc1nccnc1Cl)[C@H]1Cc2cc(F)ccc2O1	173614072	YZPNESAHVXNBBF-SNVBAGLBSA-N	308.700	1.716	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)c1ccccc1)c1ccccc1F	173825446	HZEYHIUULCGRCM-AWEZNQCLSA-N	302.305	1.974	50	20	DDGD	
O=C(Cc1cccc([N+](=O)[O-])c1)NNC(=O)c1ccccc1O	175068060	RBIVYTWJDNEYHU-UHFFFAOYSA-N	315.285	1.304	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1c(F)ccc(F)c1OC	127652788	VBKVJPWBSKQLQN-UHFFFAOYSA-N	301.293	1.718	50	20	DDGD	
CC(C)CCn1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)n1	184499021	FCWUZTDTORBTDD-UHFFFAOYSA-N	323.397	1.061	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1cccc(C#N)c1)[C@H]1CCCO1	124420179	UHMGHELHBCHKIM-UONOGXRCSA-N	316.361	1.460	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)N1CCc2cccc(C)c21	124643797	DNUIZAJBAHCGSK-JTQLQIEISA-N	303.362	1.078	50	20	DDGD	
Cc1coc2ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)cc12	185436157	JBSZQFYONWXCFK-UHFFFAOYSA-N	317.345	1.873	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C)CCc1ccccc1F	79330685	WVBBAPUBDSZVSF-NSHDSACASA-N	323.368	1.066	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)Cc1cncs1	188513206	ZASOHZDJFBQIBX-UHFFFAOYSA-N	303.387	1.856	50	20	DDGD	
CC(=O)N[C@H](C)C(=O)NNc1ccc(OC(F)(F)F)cc1	134270747	BLKSUCYHFBHONI-SSDOTTSWSA-N	305.256	1.553	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)CCCc1ccccc1	77163626	QBVFFPWQVAEEEV-UHFFFAOYSA-N	319.405	1.462	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@H]1CC(=O)N(CC(F)(F)F)C1	182518107	VZTOHQMIMOATMR-ZETCQYMHSA-N	320.246	1.075	50	20	DDGD	
C[C@H](CNC(=O)NNc1nc2ccccn2n1)c1nccs1	189941740	BWRRUEFKZZZTDN-SECBINFHSA-N	317.378	1.616	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNC(=O)Cc1ccccc1F	182409732	ASUSVQDKRHVZJQ-UHFFFAOYSA-N	324.352	1.495	50	20	DDGD	
Cc1cccc(Cl)c1NC(=O)NNC(=O)Cc1cc[nH]n1	133408058	LMUPYHDNZIMOHS-UHFFFAOYSA-N	307.741	1.767	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@@H]2CCCOC2)cc1	193975309	AWFHAMXTJFLAHX-ZDUSSCGKSA-N	305.378	1.620	50	20	DDGD	
CO[C@@]1(C)C[C@H](NC(=O)NNC(=O)c2ccc(C)o2)C1(C)C	84162744	RVLKJSWMKDWNGR-NHYWBVRUSA-N	309.366	1.736	50	20	DDGD	
CC1(CCNC(=O)/C(C#N)=C\c2ccc(O)cc2)OCCO1	194859963	NTTNKNUAEFEDET-RAXLEYEMSA-N	302.330	1.568	50	20	DDGD	
CC(C)N1CCC(NC(=O)NNc2ccc(Cl)nn2)CC1	193136255	VLXDZBSFQHZKLN-UHFFFAOYSA-N	312.805	1.629	50	20	DDGD	
O=C(/C=C\c1ccccc1[N+](=O)[O-])NNC(=O)c1ccncc1	97675995	PXGBLNJQXTVWIW-WAYWQWQTSA-N	312.285	1.464	50	20	DDGD	
CNC(=O)NNC(=O)CCc1ncc(-c2ccccc2F)o1	97714318	XNHWEJKJSPKEAK-UHFFFAOYSA-N	306.297	1.374	50	20	DDGD	
COCCn1ccc(NC(=O)NNc2ncccc2Cl)n1	92602659	YEFNHIJQSZMENF-UHFFFAOYSA-N	310.745	1.727	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCc3cn[nH]c3C2)s1	266248955	HITPTMINLVCNRC-VIFPVBQESA-N	304.375	1.346	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCNc1ccccn1	268216240	INZHCIFVIUMALD-UHFFFAOYSA-N	321.812	1.976	50	20	DDGD	
CS(=O)(=O)CCCNC(=O)NNc1ccc(Cl)c(F)c1	266979172	RWNCMMHAHXBKCD-UHFFFAOYSA-N	323.777	1.540	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cscn2)c1C	264163439	URGZSOUPGFMWRB-NSHDSACASA-N	319.386	1.988	50	20	DDGD	
CNC(=O)NNC(=O)c1ccccc1NC(=O)OC(C)(C)C	269607246	JGQWBAKBBIKAQE-UHFFFAOYSA-N	308.338	1.607	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](C)CC[S@@](C)=O	268272982	TYLAPKZJTZFNOF-GWNMQOMSSA-N	319.858	1.626	50	20	DDGD	
CCC[C@@H]1C[C@H]1NC(=O)NNC(=O)c1cccc(N(C)C)c1	267751557	PKZRQWXIPQBLRC-BXUZGUMPSA-N	304.394	1.885	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@H](C)Oc1cccc(F)c1	266620728	VLVZQXVUNOJWKM-LLVKDONJSA-N	311.357	1.970	50	20	DDGD	
C[C@H]1CSC(SCC(=O)NNC(=O)c2ccccc2)=N1	270397427	JDLBTCHRQGGUNB-VIFPVBQESA-N	309.416	1.672	50	20	DDGD	
CCN(C)C(=O)[C@H](C)NC(=O)NNc1c(F)cccc1F	276918245	OGYBXNZTPKCDTN-QMMMGPOBSA-N	300.309	1.458	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)c2c[nH]c3ccccc23)CCO1	271246717	IKSLCKXKRKWYOO-QWRGUYRKSA-N	316.361	1.679	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)C2CC2)c(Br)n1	274145518	RSTBHXFIANHXBX-UHFFFAOYSA-N	313.155	1.715	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@@H]1CCC[C@H]1CCO	275422444	UJVDIPNJZRZUIP-GXFFZTMASA-N	309.341	1.321	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC2(CC1)OCCO2	275000146	LTCOXHXBWHWBIV-SDNWHVSQSA-N	314.341	1.665	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@@H]1CCCCS1	272797388	BRLSIZLHYTXPEQ-OLZOCXBDSA-N	322.386	1.260	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCc1nncn1C1CC1	274996388	NNJROULHOUMGNR-KPKJPENVSA-N	309.329	1.542	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@]12CCOC2)Nc1cc(F)cc(F)c1	374782327	RXDBUQVZBIXEIX-RISCZKNCSA-N	311.288	1.544	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cc(C#N)ccc1C	285335769	SKWBSNSRHSVELR-UHFFFAOYSA-N	309.416	1.933	50	20	DDGD	
C[C@H](NC(=O)NNc1cccnn1)[C@@H](c1ccccc1)N(C)C	288164834	OUTVKDPQXOTXNJ-WFASDCNBSA-N	314.393	1.794	50	20	DDGD	
O=C(NC[C@@H]1CCCCN1C1CC1)NNc1ncccc1F	288540938	DLMWQVALNDSMQC-LBPRGKRZSA-N	307.373	1.864	50	20	DDGD	
Cc1nn(C)c(C)c1OCC(=O)NNC(=O)Nc1ccccc1	283769316	OTWLVLPEUMCFMG-UHFFFAOYSA-N	317.349	1.269	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)Nc1cc(F)cc(F)c1	283680800	HJUAZEIGEFPWFS-SXMVTHIZSA-N	313.304	1.931	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CC2(F)F)cc1C	294493815	WRCOWUKUVUCEBJ-SNVBAGLBSA-N	311.288	1.045	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc(N(C)C)c2ccccc2n1	294801500	UJJQODINGKXGHR-UHFFFAOYSA-N	301.350	1.217	50	20	DDGD	
CC(C)c1ncncc1C(=O)NNC(=O)NC1CCCCC1	298668214	RPIRNVKTOUMCFG-UHFFFAOYSA-N	305.382	1.877	50	20	DDGD	
CCCNC(=O)/C(C#N)=C/c1cccc(O[C@@H](C)C(=O)O)c1	299338394	TXOOOKNHAYMNSD-ZWSXMNCCSA-N	302.330	1.972	50	20	DDGD	
CC#CCCCC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802102811	YVYKCIUPWXHNHU-UHFFFAOYSA-N	303.318	1.762	50	20	DDGD	
CCCN(CCC)CCCC(=O)NNC(=O)N=c1cc[nH]cc1	802029294	MASDGBSBAGHTRI-UHFFFAOYSA-N	321.425	1.558	50	20	DDGD	
CSSCCNC(=O)NC[C@@H](CO)Cc1ccco1	807233135	SHMAYISXBZQHQN-JTQLQIEISA-N	304.437	1.741	50	20	DDGD	
CC[C@H](C)CONC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	291760369	LMNUFYQJLHVBFC-GWCFXTLKSA-N	323.349	1.135	50	20	DDGD	
CCOCc1cccc(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	292978101	QRJDRXISDPBAAG-FZMZJTMJSA-N	321.377	1.943	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1C(=O)NNC(=O)c1cccc(OC)c1O	294866358	OVMMUSBNKFQGGB-MNOVXSKESA-N	306.362	1.988	50	20	DDGD	
C[C@@H]1CC(=O)N[C@H](C(=O)NNc2ccc(C#N)c(Cl)c2)C1	293567052	SRQHFNYVDMKYRU-UFBFGSQYSA-N	306.753	1.569	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NC[C@H]1CCN(C(N)=O)C1	819786635	CLFPDHNSOHZJNO-BDAKNGLRSA-N	320.231	1.313	50	20	DDGD	
O=C(NNc1ncncc1F)[C@@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2	817080826	GDGMLQGTOKALEA-LURQLKTLSA-N	320.246	1.415	50	20	DDGD	
Cc1ccc(C(=O)NN=C2CCC(CS(C)(=O)=O)CC2)o1	814868465	UIVTWOGCKUWERE-UHFFFAOYSA-N	312.391	1.909	50	20	DDGD	
CCn1ncn(NC(=O)CCCC[C@@H]2CCSS2)c1=O	816734804	FDWMTWBSNCAMNU-SNVBAGLBSA-N	316.452	1.849	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@]2(C)CC2(F)F)c(OC)c1	817432202	JFBRIUNKKIINND-CYBMUJFWSA-N	314.288	1.510	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC1=NC[C@@H](C)S1	819774840	UEEVPYQMJWVWEF-SSDOTTSWSA-N	300.815	1.960	50	20	DDGD	
CCn1cc(Br)cc1C(=O)NNC(=O)CC1CC1	819144600	PEWAXSGNTOWRHR-UHFFFAOYSA-N	314.183	1.832	50	20	DDGD	
N#Cc1cccc(NNC(=O)C[C@@H]2CCCS(=O)(=O)C2)c1	815850987	LFGGFJQVPWHHDL-LBPRGKRZSA-N	307.375	1.216	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1ccc2oncc2c1	814763104	SRJNOKFYOLQWRX-GFCCVEGCSA-N	316.361	1.246	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C[C@H](C)n2cccn2)cc1	819839728	OYUHTVIOMFJNJA-ZDUSSCGKSA-N	315.377	1.402	50	20	DDGD	
O=C(NCC1(c2ccccn2)CCC1)NNc1ncncc1F	814333146	JENAYKPAWWANDQ-UHFFFAOYSA-N	316.340	1.759	50	20	DDGD	
COC(=O)[C@@H]1C[C@H]2CC(=NNC(=O)Cn3nc(C)cc3C)[C@H]1C2	817324068	PISQFPCHZVVJCC-RWMBFGLXSA-N	318.377	1.191	50	20	DDGD	
Cc1ccc(N2CCNC2=O)cc1NC(=O)NN(C)C1CC1	824313992	FZMXQWRLMADQHH-UHFFFAOYSA-N	303.366	1.655	50	20	DDGD	
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1ccc[nH]1	824218739	QPEPHYHHOQRUJR-UHFFFAOYSA-N	319.409	1.081	50	20	DDGD	
COc1nccnc1NNC(=O)CCCn1nc(C)cc1C	822870853	CRCILCJJUWCJEN-UHFFFAOYSA-N	304.354	1.222	50	20	DDGD	
CS(=O)(=O)CCCCNC(=O)NNc1cccc(Cl)n1	823814409	JCZRESZMZGUEQD-UHFFFAOYSA-N	320.802	1.186	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)n1C	495393543	QPTRZJKUQFJKAU-UHFFFAOYSA-N	324.381	1.009	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc(Cl)n1	823474930	MHTRGWNWRPZCGQ-LDYMZIIASA-N	311.769	1.483	50	20	DDGD	
CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)NN(C)CCOC	496530032	VBFYABLHAIVHCR-OAHLLOKOSA-N	317.430	1.537	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H](CCC(C)C)NC(C)=O	823762490	DOGDCTNCCYIBFJ-GFCCVEGCSA-N	300.403	1.058	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H](C)n1ccc2ccccc2c1=O	495763991	UPLRVBGEPUDMPH-SNVBAGLBSA-N	303.318	1.292	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1CCCC1=NNC(=O)c1ccnnc1	496550561	MWBMGHGJNJVKHF-LLVKDONJSA-N	319.365	1.640	50	20	DDGD	
CCN(CCc1ccccc1)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	827306273	FTYVASWNSDKEPR-UKRRQHHQSA-N	319.405	1.717	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc(Cn2cccn2)o1	728608427	YLPXTEHHQWNPLL-UHFFFAOYSA-N	304.350	1.722	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccccc1C(=O)N1CCCC1	494364688	OIRJYRKZFMQLKM-UHFFFAOYSA-N	320.349	1.705	50	20	DDGD	
COc1cccc(NNC(=O)/C=C\c2cnc(OC)nc2)n1	492700368	CBYRXDKPJXFJRW-SREVYHEPSA-N	301.306	1.045	50	20	DDGD	
CC1(C(=O)NNC(=O)Cn2cnc3ccccc32)CCOCC1	726767164	GIJJHJRPJDFUPP-UHFFFAOYSA-N	316.361	1.000	50	20	DDGD	
CCOCCNC(=O)NNC(=O)c1ccc2ccccc2c1	726609918	GYDZKRAUQVIGOJ-UHFFFAOYSA-N	301.346	1.820	50	20	DDGD	
COC(=O)N(C)N=Cc1ccc(OCC(=O)O)c([N+](=O)[O-])c1	495745659	KZVWWFHNHCJLDZ-UHFFFAOYSA-N	311.250	1.090	50	20	DDGD	
CO[C@@H]1C[C@@H](N(C)C(=O)/C(C#N)=C\c2cnn(C)c2)C12CCC2	491176165	NXKYAPIMAYXBCH-KWLXYHDNSA-N	314.389	1.743	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCC(C)(C)C2(O)CCCC2)cn1	490972465	KEWJKUMUCDRHIU-RIYZIHGNSA-N	316.405	1.775	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCCOc1ccccc1	825618282	KXKMPFGXOXTVMS-TZMCWYRMSA-N	321.377	1.211	50	20	DDGD	
O=C(/C=C\[C@@H]1CCOC1)NNC(=O)Nc1ccc2c(c1)OCO2	493724277	OPEXUCMWGXLINS-GAGJOLBNSA-N	319.317	1.161	50	20	DDGD	
CCn1cccc(CNC(=O)[C@@]2(C)C[C@H]2Br)c1=O	907832899	BYJXJNGCBRDSQO-MFKMUULPSA-N	313.195	1.658	50	20	DDGD	
CC(C)[C@H]1OCCC[C@H]1CNCc1ccc(B(O)O)cc1F	585025748	BMEQKGJBIMNLTG-XJKSGUPXSA-N	309.190	1.046	50	20	DDGD	
CNC(=S)N(C)NC(=O)Cn1nc(C(F)F)cc1C1CC1	823558199	CQIIVWWQCNWPOA-UHFFFAOYSA-N	317.365	1.165	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(C)c(N2CCOC2=O)c1	495070115	XTZASARSLXKTSO-UHFFFAOYSA-N	306.322	1.514	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)Nc2ccc(Cl)cc2)CO1	827617701	LDBZPKUYMUHMET-KCJUWKMLSA-N	312.757	1.853	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(C)Cc1nc(O)c2sccc2n1	490753811	MCKMGRUSCDQNRO-HJWRWDBZSA-N	318.358	1.799	50	20	DDGD	
CCCN(NC(=O)c1ccc(C(N)=O)nc1)C(=O)OC(C)(C)C	495758594	GLWGSHPRBKWSEN-UHFFFAOYSA-N	322.365	1.472	50	20	DDGD	
CCC[C@H](c1ccccn1)N(C)C(=O)c1ccc(B(O)O)cc1	584941422	JXASQMFCKMNMBI-MRXNPFEDSA-N	312.178	1.375	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCC(C2CCCCC2)CC1	585002630	BFAUHLYQOSSHGO-UHFFFAOYSA-N	315.222	1.799	50	20	DDGD	
CC(C)n1ncc(C(=O)Nc2cccc(B(O)O)c2)c1C1CC1	584913422	WBCGUTQTKIYPQS-UHFFFAOYSA-N	313.166	1.274	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(C)cc(C(=O)OC)c1	837367562	QQZLHNFWVVAURP-UHFFFAOYSA-N	307.350	1.526	50	20	DDGD	
C[C@H]1Cc2cc(C=NNC(=O)CN3CCCC3=O)ccc2O1	901154770	USDPLPYWHRRZSK-NSHDSACASA-N	301.346	1.083	50	20	DDGD	
CCN(CCNC(=O)NNc1ncc(F)cc1F)C(C)C	838184478	BGAOUTTVLXUNQF-UHFFFAOYSA-N	301.341	1.716	50	20	DDGD	
COc1ccc(C=O)c(OCC(=O)NCC(Cl)Cl)c1	837649350	PGZMAXDUTMENIZ-UHFFFAOYSA-N	306.145	1.806	50	20	DDGD	
CC(=NNC(=O)c1ccc(O)cc1)c1c(C)nc(O)nc1O	839383454	HXZTUTKZEJDOON-UHFFFAOYSA-N	302.290	1.056	50	20	DDGD	
O=C(C[C@@H]1COCCN1S(=O)(=O)CCl)c1ccccc1	831116114	VYMSQWFORBNCAQ-GFCCVEGCSA-N	317.794	1.486	50	20	DDGD	
O=C(NCC[C@@H]1C[C@H]2CC[C@H]1O2)NNc1ncc(F)cc1F	838756609	RPPSXXQSEWKUNL-HLUHBDAQSA-N	312.320	1.944	50	20	DDGD	
C[C@@]1(NS(=O)(=O)CBr)CCCC[C@H]1C(=O)O	833571469	ZVSRNOUOSAKXBC-IONNQARKSA-N	314.201	1.292	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)c1cccnc1Cl	730781673	WWAQQJHZCLPFMA-UHFFFAOYSA-N	321.720	1.281	50	20	DDGD	
C[C@H](N)C[C@H](C)NC(=O)NNC(=O)c1cc2ccccc2o1	831212629	SBOVNNZQCJWWPM-UWVGGRQHSA-N	304.350	1.503	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(F)ccc1N1CCOCC1	730773688	QTAJZLVBWBCNTM-UHFFFAOYSA-N	324.356	1.016	50	20	DDGD	
CCOc1ncccc1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	831248617	KCZOKALGNXAJSL-VHSXEESVSA-N	308.338	1.058	50	20	DDGD	
O=S(=O)(CBr)N1CCSC[C@@H]1C1CC1	832290672	BGIUDPFJXFAWLT-MRVPVSSYSA-N	300.243	1.496	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc2n[nH]cc12	831593997	QCQHNVOOFIWQRL-KOLCDFICSA-N	317.349	1.449	50	20	DDGD	
CCn1cc(CC(=O)N2CC[C@@H](B(O)O)C2)c2ccccc21	585067586	YLCAUSYEJLGKDE-CYBMUJFWSA-N	300.167	1.279	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H]2CCc3c[nH]nc3C2)cc1	838515659	YXZZRBXZUPDNQY-CYBMUJFWSA-N	315.377	1.992	50	20	DDGD	
Cc1cccc([C@H]2CCCN2C(=O)c2ccc(B(O)O)cc2)c1	584933398	GNPHXRABVBRZBP-QGZVFWFLSA-N	309.174	1.652	50	20	DDGD	
C=CCCOCC(=O)NNc1cccc(Br)n1	837209853	DJIUQZSEHOUFRP-UHFFFAOYSA-N	300.156	1.880	50	20	DDGD	
CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(B(O)O)ccc1F	584953960	ARAJVYZGLUVVPL-XHDPSFHLSA-N	307.174	1.546	50	20	DDGD	
CCC1(NCC(=O)NNC(=O)c2ccc(C#N)cc2)CCCC1	839611020	REVDQNMRCCTSBF-UHFFFAOYSA-N	314.389	1.632	50	20	DDGD	
Cc1nc2c(s1)CCC[C@H]2CNCc1ccccc1B(O)O	585038818	IIBJGNFQJJNOCO-ZDUSSCGKSA-N	316.235	1.341	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C2CCC(O)CC2)ccc1F	837039318	QBHWRCUQKQFEFQ-UHFFFAOYSA-N	310.325	1.607	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1nc(C2CC2)cs1	831127254	HUNKSCZXGPBRDG-IONNQARKSA-N	310.379	1.598	50	20	DDGD	
CNC(=O)C[C@@H](C)NC(=O)NNc1cccc([N+](=O)[O-])c1C	838697126	KEDQOYUFZZKACP-MRVPVSSYSA-N	309.326	1.054	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]21	834348506	NMBLCDOBWXKYCP-UPJWGTAASA-N	302.378	1.528	50	20	DDGD	
COCCN(C)NC(=O)c1ccccc1OCc1ccncc1	837621704	MCDIXRPIRNAJQH-UHFFFAOYSA-N	315.373	1.884	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc3c(c2)OCCO3)n1	914687054	HJTSXIWEUVEQFZ-UHFFFAOYSA-N	317.305	1.405	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2nc3nccc(C)n3n2)c1	748908656	PLRXBUHZDDLUPD-UHFFFAOYSA-N	316.296	1.337	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNc1ncccc1C(F)(F)F	740097257	LYRBJUHWVRMNIM-SSDOTTSWSA-N	304.272	1.458	50	20	DDGD	
COc1nc2sccn2c1C=NNC(=O)[C@H]1CCO[C@@H]1C	842560740	YXMOWKSOBQSFGZ-BDAKNGLRSA-N	308.363	1.280	50	20	DDGD	
C[C@@H](CCN)NC(=O)NNC(=O)Nc1cc(F)cc(F)c1	841967480	NIPYKVLYGCKDSQ-ZETCQYMHSA-N	301.297	1.038	50	20	DDGD	
C/C(C=NNC(=O)Cc1cc(O)nc(O)n1)=C/c1ccccc1	743447021	ACLUNIUONNRLPE-VCXRXGTLSA-N	312.329	1.636	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H](CN)C1CCCC1	841989468	YDUCRKKFWCLLJH-CYBMUJFWSA-N	320.393	1.157	50	20	DDGD	
CCCCn1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(C)n1	843970547	HUKBPUZRJXEUKO-NWDGAFQWSA-N	308.382	1.178	50	20	DDGD	
Cc1cc(C=NNC(=O)C(=O)Nc2ccc(C)c(C)c2)n(C)n1	841615504	ZXSBEOOGTALKFS-UHFFFAOYSA-N	313.361	1.434	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1ccc(C2CC2)cc1	842589274	IZXMCEFYJMBPCK-QMTHXVAHSA-N	324.402	1.299	50	20	DDGD	
CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)NNc1cccc(C#N)c1	741426106	PWNINAKWHCJGGB-MJBXVCDLSA-N	300.362	1.998	50	20	DDGD	
O=C(NNc1ncncc1F)[C@@H]1CCO[C@H](c2ccccc2)O1	848122496	MXISVTVXJYOBOT-WFASDCNBSA-N	318.308	1.563	50	20	DDGD	
CC[C@H](N)CNC(=O)NNC(=O)c1c(Cl)cccc1Cl	842007631	QRNZZBKWZRUWDW-ZETCQYMHSA-N	319.192	1.675	50	20	DDGD	
CCN(CC)CCNC(=O)NNc1ccc(CC(=O)OC)cc1	844846897	SADMXDYSXMFDLW-UHFFFAOYSA-N	322.409	1.370	50	20	DDGD	
O=C(CC(F)(F)F)NN=C1C(=O)Nc2ccc([N+](=O)[O-])cc21	917550459	JJPNOIUVWCYFTA-UHFFFAOYSA-N	316.195	1.320	50	20	DDGD	
COc1cc(C(C)=NNC(C)=O)ccc1S(=O)(=O)C(F)F	747040368	NCBSLWJEBOVWDW-UHFFFAOYSA-N	320.317	1.552	50	20	DDGD	
O=C(NCC#Cc1ccccc1)NNc1cncc(Cl)n1	916246104	ADJRWBBMADYXLG-UHFFFAOYSA-N	301.737	1.808	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1ccc(F)cc1[N+](=O)[O-]	842562349	PHNJIEKUHKSFMV-SKDRFNHKSA-N	309.297	1.999	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@H]1CCCN2CCCC[C@@H]12	847444739	KHFKHXHNSDORBT-UWVGGRQHSA-N	322.331	1.286	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1cc(F)ccc1OC(C)C	915513108	VAQIHSONKWCEBL-UHFFFAOYSA-N	320.342	1.504	50	20	DDGD	
Cc1ccc(NS(=O)(=O)CCCCCl)c(C(N)=O)c1	842587643	GIMXQQCFIXRQAV-UHFFFAOYSA-N	304.799	1.855	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCC[C@H]1CCCN1	842005598	QSLOMGMADOKNIR-CYBMUJFWSA-N	304.394	1.471	50	20	DDGD	
CCSCC[C@@H](C)N(C)CC(=O)NNC(=O)C(C)(C)C	744426604	MTUGWMACZANPOT-LLVKDONJSA-N	303.472	1.643	50	20	DDGD	
CCc1cc(Br)ccc1NNC(=O)NC[C@H](C)N	841983980	GWQCFOTXRBDYQD-QMMMGPOBSA-N	315.215	1.985	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1ccc2c(c1)COC2	743441618	LVPGEVLMLBWCKL-UHFFFAOYSA-N	317.389	1.862	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)[C@H](C)CN2CCCCC2)[C@H]1OC	841613854	CCZYIWAUOPEVCV-BPLDGKMQSA-N	311.426	1.404	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC2(CC1)CC2(F)F	846718505	PDKOVAANTFNSHP-UWVGGRQHSA-N	317.336	1.273	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cncc(C(F)(F)F)c1	843658767	VNFBTQJVEWYFAO-XVKPBYJWSA-N	317.267	1.286	50	20	DDGD	
O=C(NN=Cc1coc2ccccc12)N[C@H]1CCS(=O)(=O)C1	746567334	XXPFDYTYIBUEKI-NSHDSACASA-N	321.358	1.253	50	20	DDGD	
O=C(NNc1ccc(Cl)c(F)c1)[C@@H]1CCS(=O)(=O)C1	746700576	YELRNAPLZGOEBW-SSDOTTSWSA-N	306.746	1.357	50	20	DDGD	
CC[C@@H](CNC(=O)NNc1ccc(CC(=O)OC)cc1)OC	845208883	IRCCDFLIWRHHJK-ZDUSSCGKSA-N	309.366	1.453	50	20	DDGD	
CC(C)=NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	912794885	WZCPKHNWFBGVAU-UHFFFAOYSA-N	309.391	1.597	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNc2cc(O)nc3ncccc23)O1	913992152	QDLKKHVBYGENDA-SKDRFNHKSA-N	302.334	1.736	50	20	DDGD	
CCCCCCN(C)CC(=O)NNc1nc(C)cc(OC)n1	746634532	IXXRQCSGLANFAK-UHFFFAOYSA-N	309.414	1.749	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNc1ccc(C(F)(F)F)nn1	841409513	MGKYYABSKIHZMW-QMMMGPOBSA-N	306.288	2.000	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)COc2ccc(F)cc2)c2ncnn21	841613385	WWLUDWZDGOBDGU-SECBINFHSA-N	303.297	1.281	50	20	DDGD	
Cn1ccnc(NNC(=O)CCc2ccccc2Cl)c1=O	747945676	OEPQGHBPYVAYJM-UHFFFAOYSA-N	306.753	1.510	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H]2CCCN2C(C)C)c1	929245528	XVBYFWNKPUUCLV-HNNXBMFYSA-N	319.405	1.394	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC	843981462	FAEBLHUGYUIERS-GOFCXVBSSA-N	313.357	1.130	50	20	DDGD	
CN1CC[C@H](C(=O)OC[C@@H](CBr)C2CC2)CC1=O	859489646	MLAXIAAVNLWIHT-WDEREUQCSA-N	318.211	1.819	50	20	DDGD	
CNC(=O)[C@H]1CCC[C@H]1NC(=O)NNc1ccc(C)c(F)c1	853934383	ULOLLLAJDNPPCF-WCQYABFASA-N	308.357	1.675	50	20	DDGD	
CCN1CCC[C@@H]1Cn1c(C)cc(C=NNC(=O)NC)c1C	920377444	DKXOAFUQKPEXGJ-OAHLLOKOSA-N	305.426	1.852	50	20	DDGD	
CN(CC1(C)COC1)C(=O)NC[C@]1(C)C[C@H]1Br	858629188	NTCNTKUHTAALEM-SKDRFNHKSA-N	305.216	1.838	50	20	DDGD	
C[C@@H](NC(=O)NNc1cc(F)cc(Cl)c1)c1ncnn1C	854017538	ODVWQOLGMKGHKU-SSDOTTSWSA-N	312.736	1.995	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cnc[nH]2)cc1Br	755728306	RZGPJJBHWAEXRV-UHFFFAOYSA-N	323.150	1.945	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@H]1COc2c(Cl)cccc21	757775552	JUVKWLBNEIJTIK-NSHDSACASA-N	309.753	1.904	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1F	856231178	RJUCHYGNCASFEZ-LBPRGKRZSA-N	315.370	1.001	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(C(=O)NCC(C)C)cc1C	756278447	JGSCJKVKAHVJCA-UHFFFAOYSA-N	320.393	1.944	50	20	DDGD	
C[C@@H]1COC[C@H]1NC(=O)NNC(=O)Cn1ccc2ccccc21	926004167	MUUSMQGBOLCWSU-DGCLKSJQSA-N	316.361	1.007	50	20	DDGD	
CCCN1C[C@H](C(=O)NC[C@@]2(C)C[C@H]2Br)CC1=O	857386839	ZQRNMFLMMBUBQP-GIPNMCIBSA-N	317.227	1.535	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1ccc2nc(Cl)sc2c1	759704899	CODPEUAUAFLFTR-UHFFFAOYSA-N	321.767	1.499	50	20	DDGD	
COc1ccc(C#N)cc1NC(=O)NNC(=O)c1cccnc1	756280192	ZZUKYWMQMNCKLK-UHFFFAOYSA-N	311.301	1.428	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cc(NC(C)=O)ccc1C	929717032	YZNJKNANBPWHBW-UHFFFAOYSA-N	316.361	1.910	50	20	DDGD	
CC1CCN(C[C@@H](C)NC(=O)NNC(=O)CC(C)(C)C)CC1	852602143	CXHNQJUPCSBFTM-CYBMUJFWSA-N	312.458	1.873	50	20	DDGD	
CC[C@@H](C)C(=O)NN=Cc1cc2c(cc1[N+](=O)[O-])OCCO2	920374569	GUAAACUYUNZSMQ-SECBINFHSA-N	307.306	1.862	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1ccc(-n2nccn2)nc1	755950141	YTMKVBYPGXWUPY-UHFFFAOYSA-N	317.353	1.251	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2ccc([N+](=O)[O-])cc2F)CCO1	853946554	LIGJSEJHNIIHEU-DTWKUNHWSA-N	312.301	1.928	50	20	DDGD	
C[C@@H]1C[C@@H](C)CN([C@H]2CCCCC2=NNC(=O)CN(C)C)C1	751526035	LNSNKOWVHAVMHT-FMKPAKJESA-N	308.470	1.941	50	20	DDGD	
CCC[C@H](CC)S(=O)(=O)NNC(=O)c1cccc(F)n1	853052090	WOCUOSIPWKRIIA-VIFPVBQESA-N	303.359	1.364	50	20	DDGD	
COC[C@@H](OC)C(=O)NNc1ccc(OC)cc1C(F)(F)F	857266702	ALLSRIUSWDNGTP-LLVKDONJSA-N	322.283	1.819	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)Nc2ccccc2)cc1	750298123	BHIBINSDHRUQLW-UHFFFAOYSA-N	312.329	1.786	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2(OC)CCOCC2)c1C	855624402	MNQSYJOUSITVBF-UHFFFAOYSA-N	322.361	1.420	50	20	DDGD	
COc1ccnc(NNC(=O)COCc2ccccc2C)n1	856925243	NZXRHJFEOUPYDX-UHFFFAOYSA-N	302.334	1.454	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2C[C@H]2C2CC2)c1	751213230	UUWHMAQMOIVVRJ-UONOGXRCSA-N	304.346	1.511	50	20	DDGD	
O=C(CCCn1cccn1)NNc1nc(O)c2ccccc2n1	758310295	CPMBYQNEPCXPLX-UHFFFAOYSA-N	312.333	1.455	50	20	DDGD	
Cc1[nH]c2ccc(Cl)cc2c1C=NNC(=O)[C@H]1CCC(=O)N1	863147370	DRQUANHVWSJFCJ-CYBMUJFWSA-N	318.764	1.858	50	20	DDGD	
COCCOCC(=O)NNC(=O)[C@@H](F)CC1CCCCC1	869906299	LELRAVJFNZZMRO-LBPRGKRZSA-N	304.362	1.105	50	20	DDGD	
COC(=O)CC1CCC(=NNC(=O)NCC(F)(F)F)CC1	863081257	DRYWGVKPYJPPIQ-UHFFFAOYSA-N	309.288	1.957	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)COC(=O)C1CCC1	767276494	YBDRWXYKACHRAH-UHFFFAOYSA-N	304.346	1.028	50	20	DDGD	
CC1(C)CCc2ccccc2C(=NNC(=O)CS(C)(=O)=O)C1	863186730	JOBXGKNUOOFTBB-UHFFFAOYSA-N	322.430	1.914	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc(Br)c(O)c1	763476087	BGHWTKVGUATTKE-UHFFFAOYSA-N	315.167	1.962	50	20	DDGD	
C[C@H](NNC(=O)[C@@]1(c2ccccc2)CNC(=O)C1)C(F)(F)F	862319868	LWYPYVQADGBSLI-TVQRCGJNSA-N	315.295	1.016	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCCOC[C@@H]1CCOC1	866760156	HZNKAWCRBCNQAF-LLVKDONJSA-N	313.847	1.224	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)c1ccnc(O)c1	760276477	YUQWYAZNLDXBAW-UHFFFAOYSA-N	303.343	1.412	50	20	DDGD	
COc1ccn2c(C(=O)NN[C@H](C)C(F)(F)F)cnc2c1	862323623	UYGGGQRPPORCJW-SSDOTTSWSA-N	302.256	1.528	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)Nc1cccc(N2CCCC2)c1	860528457	ITSUDOXVCCNRFN-UHFFFAOYSA-N	314.349	1.476	50	20	DDGD	
O=C(NN=C1CCC(O)CC1)c1nn(-c2ccccc2)cc1O	761767500	POAKJYQAZQKVDT-UHFFFAOYSA-N	314.345	1.599	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)[C@@H]1CC[C@H](C(N)=O)O1	860478812	DZLSTDNJKYMEEH-MNOVXSKESA-N	308.290	1.150	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)ns1	766295210	UIEJUHSXGVGQOB-UHFFFAOYSA-N	306.303	1.435	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNc2nc(O)c3ccccc3n2)CCC1=O	764581592	SRSOMKXCTBMKHY-VHSXEESVSA-N	314.345	1.784	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC[C@@H](CC(=O)O)C1	864493227	VMNCJUPTQMRBMB-JTQLQIEISA-N	311.831	1.768	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)c(C)c1	760203406	LHYOVQOOOHGAEB-STQMWFEESA-N	320.393	1.271	50	20	DDGD	
COc1ccc(NNC(=O)c2ncccc2O)c([N+](=O)[O-])c1	768332572	ZICDOSXGKUGAMP-UHFFFAOYSA-N	304.262	1.461	50	20	DDGD	
C[C@@H](CN(C)C(=O)[C@H](Br)C(C)(C)C)c1nn[nH]n1	773997305	CITJTFQAUPXBGY-YUMQZZPRSA-N	318.219	1.571	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)c1ccc2nsnc2c1	776702907	NIYQPOKVSMFSDX-UHFFFAOYSA-N	316.317	1.905	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1	776285235	JZPZZWVBCZSOQD-SUNKGSAMSA-N	304.346	1.410	50	20	DDGD	
CS(C)(=O)=Nc1cccc(NC(=O)NNC(=O)C2CC2)c1	879866437	ZIEYOIMCQHJSKI-UHFFFAOYSA-N	310.379	1.608	50	20	DDGD	
CC(C)(C)N1C[C@@H](C(=O)NNc2cc(Cl)ccn2)CC1=O	778450157	SNRWTIDCIHMPTC-VIFPVBQESA-N	310.785	1.825	50	20	DDGD	
COC(=O)[C@H](C)SCC(=O)NNC(=O)c1cccc(C)c1	777504636	WOFSHWQHAXGIHA-JTQLQIEISA-N	310.375	1.051	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@@](C)(O)C(C)C)c1	874946830	XJNNMNNSLZNNRE-AWEZNQCLSA-N	313.398	1.859	50	20	DDGD	
CC(=O)Nc1cccc(NC(=O)NNC(=O)C2CCC2)c1C	779353626	LIPJIKDYKQBVDX-UHFFFAOYSA-N	304.350	1.906	50	20	DDGD	
O=Cc1ccc(OC(F)(F)C(=O)NNc2cnccn2)cc1	775281716	VUBGTJJJAPHWEG-UHFFFAOYSA-N	308.244	1.404	50	20	DDGD	
Cc1ccccc1[C@H](NCC(=O)NNC(=O)C1CC1)C(C)C	775407605	OVWGNPKAAAWJAS-MRXNPFEDSA-N	303.406	1.839	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2CC[C@H](SC)C2)cc1	1116172834	MWKAZJPWDSGCMP-YPMHNXCESA-N	323.418	1.923	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@@H](NC=O)C(C)C)cc1	1118965529	BILZQOMOVGJJFG-AWEZNQCLSA-N	323.418	1.005	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1(c2cccc(C#N)c2)CC1	1118274340	DXEXYTFKOHIIJP-SMDDNHRTSA-N	313.357	1.162	50	20	DDGD	
C#CCOc1cccc(NC(=O)NNc2nccc(OC)n2)c1	775608777	IIYUSBBSXGCPFA-UHFFFAOYSA-N	313.317	1.646	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1	772558939	JCQYDRMOSXQQBT-GFCCVEGCSA-N	324.425	1.297	50	20	DDGD	
CC(=NNC(=O)CSc1ccccc1O)c1cnccn1	777523777	OWIIUMDJMUELDS-UHFFFAOYSA-N	302.359	1.815	50	20	DDGD	
CCc1nnc(O)c(C(=O)NNC(=O)CC(F)(F)F)c1CC	771000126	WVGBRFSFZSMAOZ-UHFFFAOYSA-N	320.271	1.020	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cccn(CC(C)C)c1=O	887154746	XVLCUUGMZAOGFJ-UHFFFAOYSA-N	303.362	1.069	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cccc([C@H]2CCOC2)c1	883067371	GAIXNVZUPQYFQH-HNNXBMFYSA-N	318.373	1.378	50	20	DDGD	
CCOc1cccc([C@@H](C)NCC(=O)NNC(=O)C2CC2)c1	775215353	UQBUHDVAKFIGMO-LLVKDONJSA-N	305.378	1.293	50	20	DDGD	
C/C=C/C(=O)NNC(=O)c1nn(CCC)c(=O)c2ccccc12	884875181	RYYHSIDZAJQGPK-XVNBXDOJSA-N	314.345	1.144	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@@H](C)n2cccn2)cc1O	882052064	WDLRGJVBHNDOPV-LLVKDONJSA-N	302.334	1.309	50	20	DDGD	
CC(C)C(=O)NNC(=O)CC[C@@H]1[C@H](C)Nc2ccnn2[C@@H]1C	1123574185	FZZFEXGKFXJYCI-QJPTWQEYSA-N	307.398	1.458	50	20	DDGD	
CC[C@H](CNS(C)(=O)=O)NC(=O)c1cccc(CCl)c1	1120655232	QFSCNBSZUNADRZ-GFCCVEGCSA-N	318.826	1.483	50	20	DDGD	
COc1ccc(NNC(=O)Nc2ccc(C(N)=O)cc2C)nc1	782014188	RIXVIIBVDGUZNV-UHFFFAOYSA-N	315.333	1.646	50	20	DDGD	
C[C@H]1CN2CCN1C[C@H]2C(=O)NNc1ccc(Cl)cc1F	1124048496	MHJZIKSQXPLDFP-ZANVPECISA-N	312.776	1.311	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@@H]1CCCN1C1CC1	787341834	XZYKMAPKEDKFBU-ZDUSSCGKSA-N	313.361	1.807	50	20	DDGD	
O=C(NN=Cc1cc2c(cc1Br)OCO2)C(F)F	782235524	WFOFEVWTPUEOBH-UHFFFAOYSA-N	321.077	1.893	50	20	DDGD	
CCc1cncc(C(=O)NNC(=O)COc2cccc(C)c2)c1	789869627	RDYXWHHQPDNLBK-UHFFFAOYSA-N	313.357	1.792	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc([N+](=O)[O-])ccc1F	899997505	WCVQYNHWNDYIQA-UHFFFAOYSA-N	314.342	1.641	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1	895512765	SHRNRZGSQPZBPK-ZDUSSCGKSA-N	309.366	1.512	50	20	DDGD	
COc1cccc(NNC(=O)c2ccccc2Cn2cncn2)n1	780774258	MJNIOLWBRQPVET-UHFFFAOYSA-N	324.344	1.487	50	20	DDGD	
CC(=O)N[C@](C)(C(=O)NNc1cnnc2ccccc12)C(C)C	894893217	PCGUXMDDYYELIU-INIZCTEOSA-N	315.377	1.624	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2ccnc(F)c2)c1Br	781355422	CIMZCMNIJGHOOG-UHFFFAOYSA-N	314.118	1.772	50	20	DDGD	
CC(C)(NS(=O)(=O)CBr)C1CCOCC1	785397290	MBTIUJBXIUUZPA-UHFFFAOYSA-N	300.218	1.463	50	20	DDGD	
O=C(NNc1ncncc1Cl)N[C@H]1CCN2CCCC[C@H]12	780988825	JDPBVHQREBDFRF-WDEREUQCSA-N	310.789	1.383	50	20	DDGD	
CN(C)CCCC(C)(C)NS(=O)(=O)CBr	395629553	FOEZEQRCKPBUNY-UHFFFAOYSA-N	301.250	1.379	50	20	DDGD	
Cc1ccc(C)c(CC(=O)NNc2ccc(-n3ccnc3)nn2)c1	788177551	GPRDRVLDGJUCQP-UHFFFAOYSA-N	322.372	1.965	50	20	DDGD	
C[C@H](NC(=O)[C@@H](Br)C(C)(C)C)C(=O)N1CCCC1	799036628	LNQCCHNKYQODDM-VHSXEESVSA-N	319.243	1.923	50	20	DDGD	
CO[C@@H]1CCC[C@H]1CNC(=O)NNc1nc2ccccn2n1	790449401	AXWNTABJSJRQPV-WDEREUQCSA-N	304.354	1.171	50	20	DDGD	
CNC(=O)CCCCC(=O)NNC(=O)Nc1ccccc1C	798312805	MGRGSRALXQIRRF-UHFFFAOYSA-N	306.366	1.454	50	20	DDGD	
O=S(=O)(CCl)N[C@@H]1CCCN(Cc2ccccc2)C1	81558146	JIUCMXKTUMINKC-CYBMUJFWSA-N	302.827	1.767	50	20	DDGD	
COc1cc(NNC(=O)c2ccn(C)c(=O)c2)ccc1Cl	790168887	QMXLSQHFNBBCED-UHFFFAOYSA-N	307.737	1.804	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21)C(=O)N1CCCC1	795871383	CPTAJCPAVNXWDH-MGPQQGTHSA-N	321.421	1.363	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCCC[C@H]1CC	793552766	BSBYDYKOVYXIGJ-DGCLKSJQSA-N	311.426	1.655	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NN=Cc2cn(C)cn2)c1C	794480887	HSDRONBHLYTTEN-ZDUSSCGKSA-N	300.362	1.955	50	20	DDGD	
Cn1cnc2cccc(C(=O)NNC(=O)c3ccccc3O)c21	798154617	MYBNOCREBAYQDQ-UHFFFAOYSA-N	310.313	1.354	50	20	DDGD	
CC[C@@H](C)n1ncc(NC(=O)C(=O)NNC(=O)CC2CC2)c1C	792268895	PCQSNSCMNJFPDO-SECBINFHSA-N	321.381	1.049	50	20	DDGD	
CCOc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)C(C)C	799236395	QQWZQCPNLSBKRI-UHFFFAOYSA-N	310.310	1.802	50	20	DDGD	
Cc1nnc(NNC(=O)c2ccc(C(C)(C)C#N)cc2)nc1O	794907591	ZPDRGBIFQPKTHA-UHFFFAOYSA-N	312.333	1.444	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCCc1ccc(O)c(F)c1	798304985	PKVLLRFGMRLUDB-UHFFFAOYSA-N	311.382	1.535	50	20	DDGD	
COc1cccc2c1CCCC2=NNC(=O)C[n+]1ccccc1	799465437	DGSNEDARALGFFN-UHFFFAOYSA-O	310.377	1.840	50	20	DDGD	
CC[C@@H]1CCC[C@H]1NCC(=O)NNC(=O)c1cccc(C)c1	794576423	UQQNVTVUYWUCLR-UKRRQHHQSA-N	303.406	1.924	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnn(C2CCCCC2)c1	1321626377	XXXLNDKQTSKBHK-UHFFFAOYSA-N	307.423	1.683	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNc1cncc(Br)c1	1324493370	IAVNFNQLBIYJHU-SSDOTTSWSA-N	315.171	1.202	50	20	DDGD	
Cn1ccc(NNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)n1	1325386433	PGSSHAJKMNHJGF-UHFFFAOYSA-N	301.325	1.852	50	20	DDGD	
O=C(NNc1ncccn1)C(=O)Nc1cccc2ccncc12	1324120965	LWKHNYFLGQPGSB-UHFFFAOYSA-N	308.301	1.107	50	20	DDGD	
O=C(CCl)NCCN1CCN(C(=O)C2CCCCC2)CC1	1323268798	GWDOECALBHSYQT-UHFFFAOYSA-N	315.845	1.066	50	20	DDGD	
Cc1c(C#N)cccc1C(=O)NNC(=O)CNc1ccccc1	1321754190	WJASJXMOAGSRIK-UHFFFAOYSA-N	308.341	1.740	50	20	DDGD	
Cc1ncncc1NC(=O)C(=O)NNc1ccc(C(C)C)cc1	1336794496	YAZHLDFBFOUUSL-UHFFFAOYSA-N	313.361	1.990	50	20	DDGD	
COc1ncccc1NC(=O)NNc1nncc(N)c1Cl	1333418597	BPFRRYLPAVAZEI-UHFFFAOYSA-N	309.717	1.264	50	20	DDGD	
COc1ccc([N+](=O)[O-])c(C(=O)NNC(=S)NC(C)C)c1	1251252934	ACGJUXGXJJSQCB-UHFFFAOYSA-N	312.351	1.121	50	20	DDGD	
C[C@@H](NNC(=O)c1ncc(C(N)=O)cc1Cl)C(F)(F)F	1330098871	LPMZZGYWAVZEMD-SCSAIBSYSA-N	310.663	1.019	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc(OC)ccn2)cc1	1346056966	WRIDOOYAVVKBSK-UHFFFAOYSA-N	301.302	1.174	50	20	DDGD	
Cc1ocnc1CNC(=O)NNc1ccc(C(=O)O)c(F)c1	1608057610	NRJUQOLTORSSJC-UHFFFAOYSA-N	308.269	1.647	50	20	DDGD	
O=C(NCc1ccccc1)NNC(=O)[C@]1(C(=O)O)CC=CCC1	1605806655	MTUKGRKKFQSJMQ-INIZCTEOSA-N	317.345	1.328	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)[C@H]2CCc3cccnc32)cc1	1602127439	QOMNVAUWKQAYCQ-AWEZNQCLSA-N	311.341	1.882	50	20	DDGD	
C=C(CBr)COC(=O)c1cnccc1-c1nn[nH]n1	1602769673	FFHRVDAHHQYICS-UHFFFAOYSA-N	324.138	1.370	50	20	DDGD	
O=C(NNC(=O)c1ccsc1C(=O)O)NC1CCCCC1	1601555747	NBYZTQCWLWOOMJ-UHFFFAOYSA-N	311.363	1.723	50	20	DDGD	
Cc1nnc([C@@H](C)NC(=O)NNc2ccc(CC(=O)O)cc2)o1	1600791797	GIBFDCZIQTVNHP-MRVPVSSYSA-N	319.321	1.392	50	20	DDGD	
O=C(NCCc1ccc(C(=O)O)cc1)NNc1ccccn1	1601510999	MCWBMAFUTLIPPZ-UHFFFAOYSA-N	300.318	1.649	50	20	DDGD	
COc1cc(CCC(=O)NNc2ccccc2C(=O)O)on1	1607155501	MLFBORKVWWZUAF-UHFFFAOYSA-N	305.290	1.457	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)C(=O)NNc1ccc(C(=O)O)cc1F	1604240360	GRVONIISWNEJLG-SECBINFHSA-N	320.324	1.579	50	20	DDGD	
Cc1ncc(C(=O)NNc2ccc(C(=O)O)cn2)c(C(C)C)n1	1600734237	KWAZBACZONMYJB-UHFFFAOYSA-N	315.333	1.759	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)C2CC2)cc(C(=O)O)cc1[N+](=O)[O-]	1610424335	XEMMKRYCUQJRIO-UHFFFAOYSA-N	322.277	1.164	50	20	DDGD	
O=C(NN=Cc1cc(Cl)cs1)[C@H]1CN2CCC[C@@H]2CO1	1549321943	WKSYBSNAMIYIAF-ZYHUDNBSSA-N	313.810	1.715	50	20	DDGD	
COC(C)(C)CC=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccnn1C	1549319843	LWQSRQDTBPBBCT-OCCSQVGLSA-N	322.409	1.805	50	20	DDGD	
Cc1nn(C)c(C)c1[C@H](C)C(=O)NNc1ccccc1C(=O)O	1610568526	HIVYWSMKCIBBAH-VIFPVBQESA-N	316.361	1.982	50	20	DDGD	
Cc1c(/C=C(\C#N)c2ccc([N+](=O)[O-])cn2)c(C(=O)O)nn1C	1610411648	QLZIETCPQUTSRB-WEVVVXLNSA-N	313.273	1.794	50	20	DDGD	
O=C(NN=Cc1cccc(O)c1Cl)[C@H]1CN2CCC[C@@H]2CO1	1549317570	XXFONOJGPQTZSH-DGCLKSJQSA-N	323.780	1.359	50	20	DDGD	
CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(Cl)Cl)CC2	1814225857	XORZNPZEPWKWBO-ZCFIWIBFSA-N	322.217	1.879	50	20	DDGD	
CCCCc1ccc(CC(=O)NNC(=O)[C@@H]2CCCNC2)cc1	1577475583	JSHCABKHYFVXML-MRXNPFEDSA-N	317.433	1.719	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H]2CCN[C@H](C)C2)n1	1577699439	DJMSKWUPRUGCGD-VXGBXAGGSA-N	306.414	1.154	50	20	DDGD	
C=CC1(CC(=O)NNC(=O)c2cccc3cccnc23)CNC1	1574880358	SVUVPRPRXMMDCT-UHFFFAOYSA-N	310.357	1.162	50	20	DDGD	
C[C@@H](N)c1ccc(C(=O)NNC(=S)N[C@H](C)C2CC2)cc1	1576164789	NLSOKVSTRSGERP-NXEZZACHSA-N	306.435	1.614	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNc1cc(F)ccc1F)C(=O)O	1588825046	LHZIQHKVINOHHN-VIFPVBQESA-N	301.293	1.948	50	20	DDGD	
N#CC1(C(=O)N2CCCC23CN(C(=O)C(Cl)Cl)C3)CC1	1842809038	GOIXJMQFJXWVJX-UHFFFAOYSA-N	316.188	1.297	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)c2cscn2)C1	1842469853	JARZJPGUQWFFDG-VIFPVBQESA-N	317.773	1.495	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)NC[C@H](F)C(=O)O	1591923937	XORPSIOEWRQKKR-LURJTMIESA-N	319.724	1.302	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc(Cl)nn1	1593165630	WAHCANJKGXLHCY-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
COc1cc(NNC(=O)CSCC(=O)O)ccc1Cl	1594066514	OMOZTUPADSFICW-UHFFFAOYSA-N	304.755	1.610	50	20	DDGD	
C[C@@]1(C(=O)N[C@H]2CC[C@@H](CC(=O)O)C2)C[C@@H]1Br	1593758548	QLTCTGWCGWJJSD-JDVQERKKSA-N	304.184	1.920	50	20	DDGD	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNc1ccc(C(F)(F)F)cn1	1594228035	BZAALPJPUGSDCI-KBUNVGBDSA-N	303.240	1.654	50	20	DDGD	
Cc1c(C(=O)O)cc(C=NNC(=O)Cc2cccnc2)n1C	1599984557	QKAAQMXKUPTIHC-UHFFFAOYSA-N	300.318	1.120	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc2[nH]ccc2n1	1593165326	BTDWHPHGRYSWDG-UHFFFAOYSA-N	320.316	1.500	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cccc(C(=O)O)c2F)o1	1598959558	BASIKAKWEPQFHX-UHFFFAOYSA-N	322.248	1.660	50	20	DDGD	
C[C@]1(C(=O)O)CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C1	1593784246	IMEPCQLGWGZRPL-LJEUOOAZSA-N	300.314	1.622	50	20	DDGD	
CCNC(=O)C(C)(C)CNC(=O)NNc1cccc(C(=O)O)c1	1596450536	HXDSXRZLYJEHFE-UHFFFAOYSA-N	322.365	1.173	50	20	DDGD	
O=C(O)c1cnc2c(c1)C(=NNC(=O)[C@@H]1CCCS1)CCC2	1776082048	SREYRLNVBPXASM-ZDUSSCGKSA-N	319.386	1.832	50	20	DDGD	
C[S@@](=O)c1ccc(NC(=O)NNc2ncccn2)cc1F	161149796	KKCPNPUAUDPTJS-NRFANRHFSA-N	309.326	1.502	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccccc1C(=O)N1CCCCC1	161208573	NCCVSBUCZCRMCO-UHFFFAOYSA-N	304.350	1.485	50	20	DDGD	
CCOC(=O)C1CCN(S(=O)(=O)CCCCCl)CC1	163404330	TUALXOVEDXFTES-UHFFFAOYSA-N	311.831	1.610	50	20	DDGD	
CN1C[C@@H](C(=O)NNC(=O)c2cccc3ccccc23)CC1=O	157553651	VDBSHHSRAHMDMJ-LBPRGKRZSA-N	311.341	1.079	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNC(=O)c2ccc[nH]2)cc1	157203338	WHCHOVIUJFUVRZ-UHFFFAOYSA-N	301.346	1.762	50	20	DDGD	
Cc1ccc(SCC(=O)NNc2ncnc3nc[nH]c23)cc1	156230007	CKCUJFCOXBWRAD-UHFFFAOYSA-N	314.374	1.897	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)C(=O)NNC(=O)NCC(F)(F)F	157257125	OWZHEVSRDYIABK-RXMQYKEDSA-N	308.260	1.288	50	20	DDGD	
C[C@H](C(=O)NNc1ccc([N+](=O)[O-])cc1)N1CCSCC1	154140680	QOELQDHDXOITHF-SNVBAGLBSA-N	310.379	1.475	50	20	DDGD	
O=C(NNc1ncccn1)Nc1cc(C(F)(F)F)c[nH]c1=O	157851651	KNHIXXJLRIKNFL-UHFFFAOYSA-N	314.227	1.332	50	20	DDGD	
Cc1nccn1C[C@H](C)CNC(=O)NNC(=O)OC(C)(C)C	157449140	SQZIEBHIVFHGCL-SNVBAGLBSA-N	311.386	1.567	50	20	DDGD	
O=C(Cn1nnc(-c2ccccc2)n1)NNc1cccc(F)c1	154900773	VYAHDGGKDLRLEA-UHFFFAOYSA-N	312.308	1.623	50	20	DDGD	
CS(=O)(=O)CCN(C[C@@H](CBr)C1CC1)C1CC1	859205502	IBRRQNCSJPALGG-LLVKDONJSA-N	324.284	1.917	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)CCOc1ccccc1F	109827261	ZVPZRDQLASPOOI-NSHDSACASA-N	311.357	1.082	50	20	DDGD	
CC(C)CS(=O)(=O)CCC(=O)NNc1ccc(F)cc1	51320285	GTOSUYUWKWJOOO-UHFFFAOYSA-N	302.371	1.730	50	20	DDGD	
CC[C@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)CC(C)(C)C	103181641	BIDAFXUJJSHYSW-UWVGGRQHSA-N	300.403	1.056	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1nc(Br)cs1	119927325	RZVFRVLLONTJLV-UHFFFAOYSA-N	306.185	1.713	50	20	DDGD	
Cn1/c(=N\NC(=O)C[C@@H]2COC(=O)C2)sc2ccccc21	178451080	GWYBFEQRBDBMCX-UYSITSMJSA-N	305.359	1.125	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC	68094249	QISLVRVLMRJJSC-UWVGGRQHSA-N	317.386	1.703	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)/C=C/c2ccccc2C#N)nc1	179784041	ZGMBFCVXQBSMSE-VQHVLOKHSA-N	322.324	1.896	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)[C@@H]3CCOC3)[nH]n2)cc1	119614491	LOMIRYGUMCBXQH-GFCCVEGCSA-N	314.345	1.183	50	20	DDGD	
CC[C@@H](C)CC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1	188561497	BSMWMUNXSMAOCI-SNVBAGLBSA-N	312.391	1.287	50	20	DDGD	
CC/C(=C\C(=O)NNC(=O)C(=O)NC(C)C)c1ccc(C)cc1	172825341	CFVDEIKYJCRLNC-JLHYYAGUSA-N	317.389	1.460	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)Cc1ccccc1F	66785575	VYMSPJJSXUMWTE-UHFFFAOYSA-N	316.332	1.732	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H](C)c2nncn2C)cc1	79465193	BKBPLQPJYTZDNZ-JTQLQIEISA-N	316.365	1.083	50	20	DDGD	
CCCCC[C@H](C)CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1	79337560	GAXLMWGNYFAOML-RYUDHWBXSA-N	318.439	1.175	50	20	DDGD	
O=C(NCc1ccc(-n2ccnc2)cc1)NNc1ncccn1	66985997	PGASFMNIWQCCEV-UHFFFAOYSA-N	309.333	1.489	50	20	DDGD	
N#Cc1cc(F)c(C(=O)NNC(=O)c2ccccc2)c(F)c1	132981000	OAUHWJSXQDHXKB-UHFFFAOYSA-N	301.252	1.911	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCc1c(C)[nH]c2ccccc12	66703101	PERKAXUZVGSPGG-UHFFFAOYSA-N	318.377	1.386	50	20	DDGD	
COc1cccc(-c2cc(C(=O)NNc3cc(C)ncn3)[nH]n2)c1	177909974	QQFBSESPPMXWQF-UHFFFAOYSA-N	324.344	1.941	50	20	DDGD	
O=C(CC[C@@H]1CCCCO1)NNC(=O)COCc1ccccc1	124439777	DHSULLWRXOPQLY-HNNXBMFYSA-N	320.389	1.700	50	20	DDGD	
COc1nccnc1NNC(=O)Cn1c(C)cc2ccccc21	132066934	IPSDGHVAXIUCFZ-UHFFFAOYSA-N	311.345	1.892	50	20	DDGD	
CCOc1ccccc1C(F)(F)C(=O)NNC(=O)N(C)C	125951675	CYSFRVLHNVYULE-UHFFFAOYSA-N	301.293	1.480	50	20	DDGD	
O=C(Cc1ccc(OC(F)F)cc1)NNC(=O)NCC1CC1	65193233	NXZBJAHLCGSLDF-UHFFFAOYSA-N	313.304	1.571	50	20	DDGD	
COc1ccc(F)cc1C(=O)NNC(=O)NCc1ccco1	122805685	GAMVLRDXPPAXHQ-UHFFFAOYSA-N	307.281	1.572	50	20	DDGD	
C[C@@H]1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)C[C@@H]1C	122747342	HNUFOHFIKOZFST-NEPJUHHUSA-N	307.369	1.565	50	20	DDGD	
O=C(NNc1ccccn1)[C@@H]1CCCCN1C(=O)c1ccco1	181252806	LBDXQWKZOWWBKF-LBPRGKRZSA-N	314.345	1.813	50	20	DDGD	
O=C(NNC(=O)[C@@]1(O)CCSC1)c1ccc2ccccc2c1	124517837	JTBQFASFLWSODU-MRXNPFEDSA-N	316.382	1.469	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H](C(=O)NNc2cccc(Cl)c2C)O1	188502123	HBSJUOLVEZNDKH-NWDGAFQWSA-N	312.753	1.812	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)[C@@H]1CCCO1)N(C)c1ccccc1	79266804	XXCNRHDLXKORLV-OCCSQVGLSA-N	320.393	1.021	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCc1ccc(C(N)=O)o1	185503058	AEVJZEGAGWLRKF-UHFFFAOYSA-N	306.297	1.652	50	20	DDGD	
CCc1c(C(=O)NNC(=O)C(C)(C)C)cnn1-c1ccccn1	77220397	IXEXMUZBTZOKRZ-UHFFFAOYSA-N	315.377	1.637	50	20	DDGD	
O=C(CSCc1cscn1)NNC(=O)c1ccccc1	123860514	HJJWGOODMDLSON-UHFFFAOYSA-N	307.400	1.838	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Nc2cccc(C)n2)c1	125221100	WEEFLSSEOKGBRU-UHFFFAOYSA-N	314.345	1.930	50	20	DDGD	
Cc1ccc2oc(C(=O)NNC(=O)C(=O)NC(C)C)cc2c1	124891651	WEUZKJJHMBBKOP-UHFFFAOYSA-N	303.318	1.027	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)s1	122653698	ZYJYUMDTYBXXCY-KOLCDFICSA-N	322.434	1.626	50	20	DDGD	
CC(C)[C@@H]1CCC[C@H](NC(=O)NNC(=O)c2cnn(C)c2)CC1	187447034	MALKEDMTSQGZAA-OCCSQVGLSA-N	321.425	1.969	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21	130525946	BPYVKEMBEUUKBY-CBBWQLFWSA-N	315.373	1.224	50	20	DDGD	
CCc1ncsc1C(=O)NNC(=O)c1cccc(N(C)C)c1	136562745	FFEXUOQIVCSBPT-UHFFFAOYSA-N	318.402	1.846	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cncc(F)c1	132062963	YFPNNWIXEXTDAQ-UHFFFAOYSA-N	303.293	1.233	50	20	DDGD	
O=C(NCC1CC1)NNS(=O)(=O)c1cc2ccccc2o1	84920367	SGZJJLOKGFHBRX-UHFFFAOYSA-N	309.347	1.335	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(CN2CCCC2=O)cc1	130806265	FDZCDOKTNIRLID-UHFFFAOYSA-N	317.389	1.616	50	20	DDGD	
COCc1ccc(CNC(=O)NNC(=O)c2ccccc2)cc1	46155267	XWKQZOSEGVDDGE-UHFFFAOYSA-N	313.357	1.977	50	20	DDGD	
Cc1onc(-c2ccncc2)c1C(=O)NNC(=O)c1ccncc1	130745422	JVJMCWVECGLANO-UHFFFAOYSA-N	323.312	1.515	50	20	DDGD	
O=C(NNc1ccccn1)N[C@@H]1CC(=O)N(c2ccccc2)C1	195173028	QNJSAUJIGGZXDL-GFCCVEGCSA-N	311.345	1.513	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(C)o2)c2c(C)noc2n1	84284548	ZOULAMSVLHRMHK-UHFFFAOYSA-N	314.301	1.816	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2ccc([N+](=O)[O-])cc2)n1	193880387	BZHMLYUCTMLPKY-UHFFFAOYSA-N	315.289	1.380	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1ccc(O)c([N+](=O)[O-])c1	6131978	IXQCFBLDIDTPEP-UHFFFAOYSA-N	321.318	1.411	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)CSCC(F)(F)F)C1CC1	90426022	ORENJQKUKWTXCW-LURJTMIESA-N	315.386	1.576	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H](C)CN2CCC[C@@H](C)C2)n1	249781014	PPHFQZIFTQWMNU-BXUZGUMPSA-N	320.441	1.840	50	20	DDGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCC2(C1)OCCO2	255367328	HCJQSJUKCURNBT-LHHJGKSTSA-N	301.302	1.908	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1c(F)cccc1F	269811124	OYKUXXHSKOISGI-UHFFFAOYSA-N	301.293	1.934	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc([N+](=O)[O-])cc1	269085540	XNWGZSVKQOENJF-SECBINFHSA-N	324.337	1.951	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)N[C@H]1CCN2CCCC[C@H]12	272515308	YVSGJLWFGMILEO-NWDGAFQWSA-N	309.801	1.988	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNc1nc(C)cc(OC)n1	273574293	CUNHYPYORRKEGL-UHFFFAOYSA-N	302.338	1.211	50	20	DDGD	
CCOC(=O)c1cc(S(=O)(=O)N2CC=C(C#N)CC2)cn1C	274055532	ZGZVNMSPGLRTOH-UHFFFAOYSA-N	323.374	1.046	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1C[C@H]1c1cc(OC)ccc1OC	276548485	PVWZRLQGMUGLFO-WCQYABFASA-N	321.377	1.500	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cccc([C@H]2CCOC2)c1	270519123	QSYZXHGYDVKHNL-AWEZNQCLSA-N	313.357	1.604	50	20	DDGD	
COc1ccc2nc(NNC(=O)[C@@H]3COCCO3)c(C)cc2c1	272467928	LUNVZSFXDCNDQZ-AWEZNQCLSA-N	317.345	1.410	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)cc1[N+](=O)[O-]	273737195	QIOVMKFHPBSRIA-UHFFFAOYSA-N	322.321	1.035	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNC(=O)c1ccccn1	270328673	IXLVAWIKCPDRDY-VIFPVBQESA-N	301.350	1.376	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)n1	272515313	JTWSQQZKGCSQDB-ZUZCIYMTSA-N	315.329	1.762	50	20	DDGD	
COC(=O)c1ccccc1S(=O)(=O)N1CC=C(C#N)CC1	272810989	NMWNNNLXHXTWRH-UHFFFAOYSA-N	306.343	1.318	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@H]2COc3ccccc3C2)n1	370968152	KGYZWCAWZHVRCL-GFCCVEGCSA-N	313.361	1.237	50	20	DDGD	
COc1ccc(NNC(=O)Nc2cc3n(n2)CCCC3)nc1	287385176	OXIKOIJHZYGNCL-UHFFFAOYSA-N	302.338	1.772	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1nc2cc(Cl)ccn2n1	289618766	DKOYPRBYCQNMTG-UHFFFAOYSA-N	310.745	1.582	50	20	DDGD	
Cc1ncc2n1CC[C@@H](C(=O)NNc1ccccc1[N+](=O)[O-])C2	289946650	VZPAOFFFIDFKAH-LLVKDONJSA-N	315.333	1.805	50	20	DDGD	
CCNC(=O)OC[C@H]1CCCCN1C(=O)/C(C#N)=C/OCC	286092467	UYQYFFVBXRPKPC-RSKUSDAESA-N	309.366	1.558	50	20	DDGD	
C[C@](O)(CCc1ccccc1)C(=O)NNC(=O)c1ccc[nH]1	282992579	WVNSTOUVFABAOH-INIZCTEOSA-N	301.346	1.160	50	20	DDGD	
CC(C)n1cnc(C(=O)NNC(=O)Cc2ccccc2F)c1	281370904	VMUYUWPDGFCOCI-UHFFFAOYSA-N	304.325	1.607	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1	294740444	OGNNNNFEHQPSPI-UHFFFAOYSA-N	300.702	1.601	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCc1ccc2ccccc2c1O	295139911	CADNYZXJTDSKON-UHFFFAOYSA-N	316.357	1.396	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CCc2ncc[nH]2)cc1	806569297	PVHBASOZNKYIHM-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
CCn1cc([C@@H](C)NC(=O)NNc2cncc(Cl)n2)cn1	297314764	AVOGNSFVNNCEMS-MRVPVSSYSA-N	309.761	1.734	50	20	DDGD	
Cc1cc(C)c(OCC(=O)NNC(=O)[C@H]2CCCCO2)c(C)c1	295670911	WYCDRHASSACXNP-CQSZACIVSA-N	320.389	1.707	50	20	DDGD	
COC(=O)C(C)(C)CCNC(=O)NNc1ncncc1Cl	805768584	KSMCPTKALGRPBK-UHFFFAOYSA-N	315.761	1.345	50	20	DDGD	
Cc1cccc2c1OC[C@H](NC(=O)NNC(=O)CC(C)C)C2	291019494	FFEBAXMCDXPNJC-CYBMUJFWSA-N	305.378	1.675	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)N[C@H](C)c1ccsc1	802382613	CIMWGCDMBQENJP-ZJUUUORDSA-N	315.395	1.191	50	20	DDGD	
CC(C)[C@@H]1NCC[C@@H]1C(=O)NNc1nc(-c2cccnc2)no1	290117670	KWBHHQJRHMSPKS-RYUDHWBXSA-N	316.365	1.209	50	20	DDGD	
CC1(OCC(=O)NNc2ccc3c(=O)[nH]ccc3c2)CCC1	803436936	DCTRJDXQJSTHBK-UHFFFAOYSA-N	301.346	1.930	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@H](C)n2cncn2)c(Cl)c1	802048488	RTKPVUALYHFYTQ-VIFPVBQESA-N	322.756	1.654	50	20	DDGD	
C[C@@H]1Oc2ccccc2[C@H]1NC(=O)NNC(=O)[C@H]1CCCCO1	297029852	JUIZOMSDUFASPI-GDLCADMTSA-N	319.361	1.408	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Nc1ccc(N(C)C)cc1)N(C)C	802119811	SVXBXIGCQXKNDH-ZDUSSCGKSA-N	307.398	1.246	50	20	DDGD	
O=C(CN1CCC[C@@H](CC(F)(F)F)C1)NNC(=O)C1CC1	817281403	KOXQKGNFUWRKET-VIFPVBQESA-N	307.316	1.208	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)Cn1ccc2ccccc21	812499505	LHBVZBOSJBFXFD-CHWSQXEVSA-N	317.389	1.707	50	20	DDGD	
O=C(NN=Cc1ccc(C2CCC2)cc1)[C@H]1CCS(=O)(=O)C1	814782206	SMPJSCYRZOQLBF-HNNXBMFYSA-N	320.414	1.839	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)COCc2ccccc2)n1C	811644198	UOGNPRVJWJDGCL-UHFFFAOYSA-N	315.377	1.153	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccnc(Cl)c1C	810291257	VZKCSIWONFPMRN-UHFFFAOYSA-N	308.729	1.991	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)CSc2ccccc2O)CC1(F)F	817553044	BAQGDRCCPPDSJP-LBPRGKRZSA-N	316.329	1.677	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@H]2CCCCCC(=O)C2)cc1	813430200	NEWKYSCNVJVHRK-AWEZNQCLSA-N	313.357	1.859	50	20	DDGD	
COCCN(C)NC(=O)c1cnn(C)c1Cc1ccccc1	816560260	JRUKNSVGUIJAFT-UHFFFAOYSA-N	302.378	1.234	50	20	DDGD	
CC(C)(C)c1ncc(C=NNC(=O)c2ccc(O)c(O)c2)cn1	814920576	QEBRBCXHZHUTKX-UHFFFAOYSA-N	314.345	1.949	50	20	DDGD	
NC(=O)[C@H]1CC[C@H]1C(=O)NNc1ccccc1C(F)(F)F	816843814	CTUMJQPBLFDNTA-JGVFFNPUSA-N	301.268	1.660	50	20	DDGD	
Cc1noc(-c2ccccc2C(=O)NNc2ncncc2F)n1	817082286	SNEFDJAAKMQNSY-UHFFFAOYSA-N	314.280	1.731	50	20	DDGD	
COc1ccncc1CNC(=O)NNC(=O)c1ccccc1	814273205	GBIRSLHGZRRKHK-UHFFFAOYSA-N	300.318	1.234	50	20	DDGD	
C[C@H]1CN(C[C@@H](C)C(=O)NN=C2CCn3cccc32)C[C@@H](C)O1	818259689	JDAXBBSLQDTOAN-MCIONIFRSA-N	318.421	1.457	50	20	DDGD	
Cn1nncc1NNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1	816771735	YNAHRBKADGTFAZ-UHFFFAOYSA-N	318.318	1.695	50	20	DDGD	
CCCc1[nH]ccc1C(=O)NNC(=O)Cn1nc(C)cc1C	817513091	LDTWVHYEPWWWPP-UHFFFAOYSA-N	303.366	1.242	50	20	DDGD	
COc1cc(C(=O)NNc2ncncc2F)cc(OC)c1C	817080156	GPFYFQWPOPCJIO-UHFFFAOYSA-N	306.297	1.698	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)[C@@H]1CCCSC1	810594808	QRSJRZZDBMTYCC-GFCCVEGCSA-N	308.403	1.746	50	20	DDGD	
CNC(=O)NCCC(=O)NN=C(c1ccccc1)c1ccccc1	814269408	ZWMDFMOYAZOJCP-UHFFFAOYSA-N	324.384	1.874	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(-c2cccc(OC)c2)no1	823898495	XWHOPWISFIUUEW-UHFFFAOYSA-N	305.334	1.309	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)NCCCCC#N)c1	728958075	QQWYQJAYJZGNRT-UHFFFAOYSA-N	320.349	1.342	50	20	DDGD	
CCN(CCO)NC(=O)c1[nH]c(-c2cccc(C)c2)nc1C	823869797	PSQQBQRXDBJMMA-UHFFFAOYSA-N	302.378	1.653	50	20	DDGD	
COC(=O)c1cc(NNC(=O)/C=C/[C@@H]2CCOC2)ccc1F	493483235	BFLSPXXPNWKFFN-JYBNPQIESA-N	308.309	1.648	50	20	DDGD	
C[C@H](Cc1cnc2ccccc2n1)C(=O)NN(C)[C@H](C)CO	823917671	LTKXNAKXLBOSDM-VXGBXAGGSA-N	302.378	1.152	50	20	DDGD	
CCN1CCCC[C@@H]1CNC(=O)/C(C#N)=C/c1cnn(C)c1	490976998	SCKMEHZRNDFJCR-UJMHRVFCSA-N	301.394	1.318	50	20	DDGD	
O=C(CCSc1ccc(F)cc1)NNC(=O)c1cnc[nH]1	728204155	WEXUEZHDADOANJ-UHFFFAOYSA-N	308.338	1.492	50	20	DDGD	
N#C[C@H]1CC[C@@H](NC(=O)NNC(=O)c2ccc(Cl)cc2)C1	824779306	YWCNZYBLVFEACW-JOYOIKCWSA-N	306.753	1.976	50	20	DDGD	
CCCC[C@@H](C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C	496483522	ZPPQTZMHMGZWCU-SNVBAGLBSA-N	301.387	1.485	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@]2(C)CCO[C@@H]2C2CC2)cn1	491138520	ZGGORWQUURRPTR-DCAYXJQRSA-N	300.362	1.401	50	20	DDGD	
COC(=O)N(C)NC(=O)Cn1nc(C(F)F)cc1C1CC1	822837725	DQNZDMFOYZNURU-UHFFFAOYSA-N	302.281	1.428	50	20	DDGD	
COC(=O)Nc1cccc(C(=O)NNC(=O)c2cccn2C)c1	491121860	MXKPISRRYNUTPA-UHFFFAOYSA-N	316.317	1.278	50	20	DDGD	
COC(=O)Nc1ccc(C(=O)NN(C)[C@H](C)CO)c(Cl)c1	823384198	DZVUVYXYRYRNBK-MRVPVSSYSA-N	315.757	1.476	50	20	DDGD	
Cc1cncc(/C=C/C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1	826318856	CRCQBZGDRTZHQQ-FARCUNLSSA-N	321.344	1.727	50	20	DDGD	
CCc1ncsc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	825755315	SVXHSZCNHDGKSX-UHFFFAOYSA-N	315.362	1.643	50	20	DDGD	
COC(=O)N[C@H](C(=O)NN(C)C(=O)OC(C)(C)C)C(C)C	496291815	JREOVJPLTQBMBS-VIFPVBQESA-N	303.359	1.265	50	20	DDGD	
CCN(CCO)NC(=O)[C@@](C)(O)c1cccc(C(F)(F)F)c1	823865530	SWRKKDYMFSPBHB-ZDUSSCGKSA-N	320.311	1.258	50	20	DDGD	
COCc1cccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)c1	495447204	DPJBUNYFODWKDP-UHFFFAOYSA-N	323.349	1.327	50	20	DDGD	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NN(C)[C@@H](C)CO	823976167	AFWPYRJIXHDBPH-BARDWOONSA-N	300.443	1.808	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccnc(OCC(F)(F)F)c1	494707961	ABFKHLHQGQSOLJ-UHFFFAOYSA-N	322.243	1.805	50	20	DDGD	
COc1ccc(C(=O)N2CC[C@H](B(O)O)C2)c(OCC(C)C)c1	585064411	PTPQILRBLQCXOB-LBPRGKRZSA-N	321.182	1.419	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=C1CCOC[C@@H]1C	495993473	QIQQGARECUBNQQ-WCQYABFASA-N	323.393	1.432	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccnc(OCC(F)(F)F)n1	496976800	XIUVAXYGVMANRU-UHFFFAOYSA-N	323.231	1.200	50	20	DDGD	
C[C@H]1CN(c2ccc(NC(=O)NN(C)C3CC3)cn2)C[C@H](C)O1	824076539	UUZUKHNRKIZDMF-RYUDHWBXSA-N	319.409	1.826	50	20	DDGD	
Cc1sc(C(=O)NN(C)[C@@H](C)CO)cc1Br	823912647	JHPBEDYZQSAMPX-LURJTMIESA-N	307.213	1.776	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(C)(C(=O)NNC(=O)CC2CC2)C1	496045991	TWBYZVLRVWQDOX-UHFFFAOYSA-N	311.382	1.191	50	20	DDGD	
C[C@@H]1NCC[C@@H]1C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	829522269	AZXRCFLEXRRPGP-KWQFWETISA-N	321.768	1.831	50	20	DDGD	
CC[C@H]1CCCC(=NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1	734980654	VHXVXOCFFBLYIX-JQWIXIFHSA-N	301.412	1.429	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)o1	829831639	QEYKNNPSWPNFNA-QJPTWQEYSA-N	319.361	1.044	50	20	DDGD	
CCN(CCNC(=O)NNC(=O)C(C)C)C(=O)OC(C)(C)C	491180567	ZGNFZIFWGPTIOG-UHFFFAOYSA-N	316.402	1.230	50	20	DDGD	
Cc1cccc([C@H](C)CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	826070041	OBPZIARVLFWSGK-IPYPFGDCSA-N	319.405	1.854	50	20	DDGD	
C[C@@H](NNC(=O)c1cc(O)nc2c1CCCC2)C(F)(F)F	826949759	KXZFZWLSPPHRGF-SSDOTTSWSA-N	303.284	1.851	50	20	DDGD	
C=CCN(CCc1ccccc1)[C@@H](C)C(=O)NNC(=O)CC	731850421	XPXQIADBRSFCDV-AWEZNQCLSA-N	303.406	1.663	50	20	DDGD	
CCN(C(=O)c1ccc(B(O)O)cc1)[C@H]1CCCc2cccnc21	584979472	UUARQFMAEOQBGI-INIZCTEOSA-N	324.189	1.301	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1ccnn1CCN(C)C	901165559	WGSOAPIFXXMPRB-UHFFFAOYSA-N	305.357	1.649	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)o1	585035722	YELNQMWUKQVQKU-DZGCQCFKSA-N	319.141	1.108	50	20	DDGD	
O=C(CCC(=O)N1CC[C@H](B(O)O)C1)c1ccc(Cl)cc1	585070953	JGMPRNVIFULQIT-NSHDSACASA-N	309.558	1.378	50	20	DDGD	
CCn1cccc(CNC(=O)[C@@]2(C)C[C@@H]2Br)c1=O	907832896	BYJXJNGCBRDSQO-GWCFXTLKSA-N	313.195	1.658	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)NC(=O)NNc1cncc(Cl)n1	838695523	ZMVTZRAYILWUBO-QMMMGPOBSA-N	309.761	1.121	50	20	DDGD	
COC(=O)NN=Cc1c(Cl)cccc1N1CCN(C)CC1	490615790	FXIPTZKLGHYQNA-UHFFFAOYSA-N	310.785	1.782	50	20	DDGD	
C[C@@H]1CC[C@@H](CNC(=O)NNC(=O)c2cccc(N(C)C)c2)O1	838743011	SMEFADJGDAZEOX-RISCZKNCSA-N	320.393	1.264	50	20	DDGD	
N#CC[C@H](CC(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccc1	833236316	QQYPVBTYROWUBW-CABCVRRESA-N	315.373	1.790	50	20	DDGD	
CC(=NNC(=O)COc1cc(C)cc(C)c1)c1cn(C)nn1	834922935	QTUWCYHVYVFVCR-UHFFFAOYSA-N	301.350	1.351	50	20	DDGD	
O=C(O)[C@@H]1CCC[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2)C1	833183885	LOISFDUZIYTKHC-NXEZZACHSA-N	307.306	1.929	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)c(F)c1	909546093	SWQUYWQTFSGUMD-ZEGGKSINSA-N	306.293	1.281	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H](C)SC)c1F	838526071	NUPORMQMAICJGP-QMMMGPOBSA-N	315.370	1.990	50	20	DDGD	
O=C(O)CSCCC(=O)NNc1nc(-c2ccccc2)no1	739847262	YDFORCCHSYBTMZ-UHFFFAOYSA-N	322.346	1.388	50	20	DDGD	
COc1ccccc1C(=O)NN[C@@H](C(=O)O)c1cccnc1	832588192	BJFQBEHBZHFRNU-CYBMUJFWSA-N	301.302	1.151	50	20	DDGD	
CC(CCc1ccco1)=NNC(=O)Cc1cc(O)nc(S)n1	730586238	DUGLYNUJCFGDOH-UHFFFAOYSA-N	320.374	1.731	50	20	DDGD	
CCc1nc2ccc(NC(=O)NNC(=O)CN(C)C)cc2s1	832014650	XMUSNFAAUWKEQO-UHFFFAOYSA-N	321.406	1.573	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)COC1CCCCC1	730780928	YTTXZXMMMOCAQZ-UHFFFAOYSA-N	322.361	1.268	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CC1	735977729	VHTJIDHFUZWGHL-VIFPVBQESA-N	314.349	1.064	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2C[C@H]2c2c(F)cccc2Cl)o1	585046716	VQVUTSIWKLWKNA-BXKDBHETSA-N	309.533	1.398	50	20	DDGD	
CSSCCNC(=O)NCCN1C[C@@H]2CC[C@H](C1)O2	838588684	USRHAYGAJFQILV-PHIMTYICSA-N	305.469	1.160	50	20	DDGD	
O=C(c1cccc(NCc2ccccc2B(O)O)c1)N1CCCC1	585012973	ILRWIXMDXPMUFR-UHFFFAOYSA-N	324.189	1.215	50	20	DDGD	
O=C(NC[C@@H]1CCc2ccccc2C1)NNC(=O)C1CCC1	735325015	HPUWSWPUDIUVCC-GFCCVEGCSA-N	301.390	1.922	50	20	DDGD	
CC(C)N1CCN(C(=O)[C@]2(C)C[C@@H]2Br)CC1=O	907271054	VANQVUXJFZSLJP-JOYOIKCWSA-N	303.200	1.239	50	20	DDGD	
O=[N+]([O-])c1ccc(N2CC[C@@H](B(O)O)C2)c(C(F)(F)F)c1	585073666	MSMGUQDANLYGPU-SSDOTTSWSA-N	304.033	1.667	50	20	DDGD	
CC(=O)N[C@@H](CCC(C)C)C(=O)NNc1ncncc1Cl	832671251	DRKJBDMYDFTGGU-NSHDSACASA-N	313.789	1.514	50	20	DDGD	
O=C(NCCOC[C@@H]1CCOC1)NNc1cc(F)ccc1F	917801298	KNFZVRYIVNKORS-SNVBAGLBSA-N	315.320	1.644	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1	910167492	GPGNRTCEJZGVOM-ZFWWWQNUSA-N	323.412	1.382	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@H](C1CCCCC1)N(C)C	916447274	BPRRVKKASVAENX-AWEZNQCLSA-N	312.458	1.873	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)COc1c(Cl)cccc1Cl	910181025	ROLSNOILTPZSBX-MRVPVSSYSA-N	307.177	1.716	50	20	DDGD	
CC[C@@H](C)c1nc(C)c(CC(=O)NN(C)C[C@H](C)O)c(C)n1	910140510	IQZSPBJDBDSFTQ-MNOVXSKESA-N	308.426	1.493	50	20	DDGD	
COCC1(CCNC(=O)NNC(=O)[C@@H]2CCCCO2)CCC1	836477103	VFXRUVWSFBZTBN-LBPRGKRZSA-N	313.398	1.093	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)[C@H]1SCCc2ccccc21	833247144	YTBSYVCFYJGMGX-KGLIPLIRSA-N	320.414	1.734	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1cccc(OC(F)F)c1	833384312	HBFPOCNCPHTTPZ-UHFFFAOYSA-N	301.249	1.396	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(OC(F)F)cn1	836654915	XGXGLBAOVWNMSB-SSDOTTSWSA-N	302.281	1.882	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1ccc(C(=O)O)c(F)c1	833147129	UCZWTFMUOVXPGA-UHFFFAOYSA-N	321.264	1.261	50	20	DDGD	
CC1CCN(C[C@@H](C)C(=O)NN=C2CCNC(=O)CC2)CC1	834932638	JJXARSMEGZGRDN-CYBMUJFWSA-N	308.426	1.127	50	20	DDGD	
CN1CCN(C(=O)CCCC[C@H]2CCSS2)[C@H](CO)C1	912749442	YYOQIGYVHPPTAB-STQMWFEESA-N	318.508	1.835	50	20	DDGD	
CN(C)c1ccc(NC(=O)NN=C2CCN(C(N)=O)CC2)cc1	741765840	LKOCUROSNIYJGG-UHFFFAOYSA-N	318.381	1.405	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cccc(OC(C)C)c1	748254072	VKUIIXGTXYXTTC-CYBMUJFWSA-N	308.378	1.975	50	20	DDGD	
O=C(O)NNC(=O)Nc1nnc(Cc2ccccc2F)s1	740002431	IPRGMOREIHMYGJ-UHFFFAOYSA-N	311.298	1.572	50	20	DDGD	
COc1ccccc1[C@@H]1C[C@H]1NS(=O)(=O)CBr	849472915	YCYSKAPRYRLAHA-VHSXEESVSA-N	320.208	1.823	50	20	DDGD	
C[C@H](NC(N)=O)C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	746893535	CHXNTHUXHIKYBK-LURJTMIESA-N	315.255	1.077	50	20	DDGD	
C[C@@H]1C(=O)N(NC(=O)[C@H](Br)C(C)(C)C)C(=O)N1C	912822829	BMNVJQIKXIEBDI-RQJHMYQMSA-N	320.187	1.110	50	20	DDGD	
COC(=O)[C@H]1C[C@H]2CC[C@H]1N(S(=O)(=O)CCCCCl)C2	841539382	JSQYRHYEXFTHNF-GRYCIOLGSA-N	323.842	1.609	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCC[C@@H](C)CC2)cc1	745170647	FVRFNTZMSMEKCH-CYBMUJFWSA-N	303.406	1.878	50	20	DDGD	
CC1CCN(c2ccc(C(=O)NN(C)C[C@@H](C)O)cn2)CC1	910166530	YAVBPEZHHZOHDE-CYBMUJFWSA-N	306.410	1.275	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(-n2cccc2)cc1	843645863	INOXLDMLAWQPSI-SWLSCSKDSA-N	313.357	1.663	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)CCCC2=O	843660952	NAXRHXCMQZIMFY-GWCFXTLKSA-N	316.357	1.392	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1ccc(O)c([N+](=O)[O-])c1	842561924	OGIWEAYSLACREO-KOLCDFICSA-N	307.306	1.566	50	20	DDGD	
O=C(O)CSCC(=O)NNC(=O)CCC1CCCCC1	740485459	PYGWCFPGFBCKSU-UHFFFAOYSA-N	302.396	1.312	50	20	DDGD	
NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	848159112	UBOPUVFFZRRWIX-SFYZADRCSA-N	302.256	1.055	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1)c1ncccn1	841614506	OKFSYSJLSKJGBQ-UPJWGTAASA-N	319.409	1.062	50	20	DDGD	
C=CCOc1ccccc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843640594	CUZYMMPRVHAKJV-NEPJUHHUSA-N	304.346	1.437	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cccc(Cl)c1	916363864	ZYELUBWVJFMYDW-LBPRGKRZSA-N	309.797	1.758	50	20	DDGD	
COCc1cccc(C=NNC(=O)c2sc(N)nc2C)c1	743434754	ZBRAXTLTWPGYCE-UHFFFAOYSA-N	304.375	1.944	50	20	DDGD	
CO/C(=C\c1ccccc1)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843973820	ZONPMCLMTFKOKK-WRHZYCJSSA-N	304.346	1.246	50	20	DDGD	
Cc1c(C(=O)NNC(=O)N2CCOCC2)cnc2ccccc12	748702753	CDDHOQUVRUYSBX-UHFFFAOYSA-N	314.345	1.230	50	20	DDGD	
COc1ccnc(NNC(=O)c2cccc(-c3cnn(C)c3)c2)n1	741667453	SXEUJQBGCADLAX-UHFFFAOYSA-N	324.344	1.643	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1c[nH]c2cc(Cl)ccc12	918710865	HQCNJTCRNHXAKC-UHFFFAOYSA-N	306.753	1.796	50	20	DDGD	
CO[C@@H](C=NNC(=O)Nc1ccc(N(C)C)cc1)[C@H]1CCOC1	841625769	LPDDAGBBIHOQQQ-WFASDCNBSA-N	320.393	1.911	50	20	DDGD	
CCNCCCNC(=O)NNC(=O)COc1ccc(C)c(C)c1	841917411	GZYOWPKCRCHZHJ-UHFFFAOYSA-N	322.409	1.012	50	20	DDGD	
CC[C@@H](NC(=O)NNc1ncc(Br)cn1)C(F)F	848660028	ATYNSNWTPXRDFR-ZCFIWIBFSA-N	324.129	1.909	50	20	DDGD	
N[C@@H]1CCC[C@@H](C(=O)NNc2ncc(Br)cn2)C1	848436611	XXLQCCXPLVEKSQ-VXNVDRBHSA-N	314.187	1.200	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1Cc2cncnc2C1	848164685	AMICHKMBKXRKDZ-UHFFFAOYSA-N	305.769	1.685	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1Cc1ccccn1)C1CCCC1	746122512	WSVQBRWQWZYISV-HNNXBMFYSA-N	316.405	1.384	50	20	DDGD	
COC[C@H](NCC(=O)NNC(=O)c1cccs1)c1ccco1	754334923	BLHBHGDUAWJZOX-JTQLQIEISA-N	323.374	1.079	50	20	DDGD	
Cc1n[nH]cc1CNC(=O)NC[C@@]1(C)C[C@H]1Br	856838135	ABJBSOYQLRMXBK-MWLCHTKSSA-N	301.188	1.691	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1ccn(CC(=O)O)n1	852960631	LAPRXJGHYGSPNQ-VIFPVBQESA-N	318.171	1.716	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)COc1cc(C)ccc1C	755036070	LZNSNRORNGRSBF-LBPRGKRZSA-N	308.378	1.502	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc(O[C@@H](C)COC)cc1	853000435	BETZZOWIDDQNOU-OJNRTJSBSA-N	318.373	1.770	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNc2cc(Cl)nc(N)n2)c1	753452238	QCBVWJUYPXEHNJ-UHFFFAOYSA-N	322.712	1.686	50	20	DDGD	
C[C@@]1(CNC(=O)c2coc(C(N)=O)c2)C[C@H]1Br	857394887	PKWQGKTWTWRECB-KCJUWKMLSA-N	301.140	1.282	50	20	DDGD	
CC(C)n1c(O)nc2ccc(C(=O)NNc3cnnn3C)cc21	857269717	GDUDRWVKXYQIDC-UHFFFAOYSA-N	315.337	1.208	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cc(C(F)(F)F)nn1C	853001138	LONCSTBBYVWVAR-YVMONPNESA-N	302.256	1.108	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(CN2CCCCC2)cc1	854920108	KGOONYUYBWBCDQ-UHFFFAOYSA-N	320.462	1.753	50	20	DDGD	
CCN1CCOC[C@@H]1C(=O)NNc1cc(F)cc(Cl)c1	855618885	VBZAJIZFAGUSMQ-GFCCVEGCSA-N	301.749	1.643	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1nccn(C)c1=O	754616735	UAQMPFIPEWTAPH-UHFFFAOYSA-N	309.757	1.085	50	20	DDGD	
NC(=O)c1ccc(CC(=O)NNc2cc(Cl)ccn2)cc1	754282278	AVUGHAALHSGUKQ-UHFFFAOYSA-N	304.737	1.520	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccc(C3CC3)nn2)o1	757700778	SHUXOXRYHMRTPY-UHFFFAOYSA-N	301.306	1.722	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)c(C)[nH]1	855829368	JUDWSYDRSASNQR-UHFFFAOYSA-N	322.409	1.335	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2cccc(F)n2)C[C@@H](C)S1	852708991	NDFYTRBCZXAZTL-DTORHVGOSA-N	312.370	1.401	50	20	DDGD	
CC1(C)CN(C(=O)NC[C@@]2(C)C[C@H]2Br)CCO1	856899936	HSEMJZMJSNYBEE-BXKDBHETSA-N	305.216	1.980	50	20	DDGD	
COCc1ccccc1C(=O)NNC(=S)N[C@H](C)C1CC1	855102466	JSWZXIRXOBONNX-SNVBAGLBSA-N	307.419	1.740	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN(CCc2ccccc2)C1)C1CC1	854181171	VHOQPXAZFWMJPY-MRXNPFEDSA-N	315.417	1.499	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Cc1ccn(-c2ccccc2)n1	756907386	ZCKGURDLTWJEFL-UHFFFAOYSA-N	300.362	1.608	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c(Cl)c1	853390624	GMGABAKKOAFROV-HIFRSBDPSA-N	321.808	1.962	50	20	DDGD	
COC(=O)CCC(C)=NNC(=O)[C@H](C)CN1CCCCCC1	756875058	BAJZTGPSUGZFNR-CYBMUJFWSA-N	311.426	1.944	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2C[C@H]3CCN(C)[C@H]3C2)c1	858707481	VVAOARVSQLKYMR-MNOVXSKESA-N	308.407	1.047	50	20	DDGD	
C[C@H]1CSCCN(C(=O)NNC(=O)c2cccc(C#N)c2)C1	753131549	UKMLYCIPEMSLIF-LLVKDONJSA-N	318.402	1.598	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1ccc2nsnc2c1	753425355	SLDOOBQFRATUGH-UHFFFAOYSA-N	305.750	1.919	50	20	DDGD	
COc1cccc(NNC(=O)c2cn(CC(F)F)nc2C)n1	935295166	IIWANAZVVYJOLA-UHFFFAOYSA-N	311.292	1.617	50	20	DDGD	
COC(=O)c1ccc(CCC(=O)NN[C@@H](C)C(F)(F)F)cc1	862313472	ICCJHPOHMGENOU-VIFPVBQESA-N	318.295	1.977	50	20	DDGD	
CCCC(=O)N1CCCC[C@@H]1C(=O)NN[C@@H](C)C(F)(F)F	862312532	OKIUGFFGPCOMCA-VHSXEESVSA-N	309.332	1.739	50	20	DDGD	
C[C@H](NNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C(F)(F)F	862309533	MBHXEJGFNCQEFO-BYPYZUCNSA-N	310.207	1.501	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2ccc(C(N)=O)o2)c1	768695926	VEQXOTFEOAPVRQ-UHFFFAOYSA-N	305.681	1.055	50	20	DDGD	
Cc1nn(C)cc1C1=NO[C@@H](C(=O)NNc2ccccc2F)C1	935016023	AUWDCWGOZHXESI-CQSZACIVSA-N	317.324	1.504	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NC1(c2nc[nH]n2)CCC1	867220168	IHKVXMJHYKGPNJ-UHFFFAOYSA-N	306.819	1.368	50	20	DDGD	
C[C@H](c1ccccc1F)[C@H](O)C(=O)NNC(=O)C1CCCC1	864845476	VYZBYCWISBNYAR-YGRLFVJLSA-N	308.353	1.628	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=S)NC(C)C	761188411	IGCORBWCJCHPBY-UHFFFAOYSA-N	313.448	1.691	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2ccc(F)c3occc23)CC1	935861005	ZADFODFOXKVLSD-UHFFFAOYSA-N	320.324	1.174	50	20	DDGD	
C[C@H](NNC(=O)c1nn(C)c(=O)c2ccccc12)C(F)(F)F	862304485	PCOXHZDXPOXWKK-ZETCQYMHSA-N	314.267	1.119	50	20	DDGD	
Cc1cc(=NNC(=O)c2cnc3c(cnn3C(C)C)c2)cc[nH]1	862508914	ABUGIIPHTLMGCJ-UHFFFAOYSA-N	310.361	1.894	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H](c2ccccc2)C2CC2)n[nH]1	869015081	NCMAMIMPCOJXIU-INIZCTEOSA-N	312.373	1.602	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(N2CCCC2)cc1C	763440463	GQYSHFUKHFYBOS-UHFFFAOYSA-N	318.377	1.091	50	20	DDGD	
COc1ccccc1C(=O)C(=O)NNc1cc(Cl)nc(C)n1	761091058	GAVCWSVQRARJEE-UHFFFAOYSA-N	320.736	1.773	50	20	DDGD	
COc1cccc(C(C)(C)C(=O)NNC(=O)c2ncccn2)c1	868894571	RSSWLOZZCWCIRX-UHFFFAOYSA-N	314.345	1.224	50	20	DDGD	
Cc1cccc([C@H](C)C(=O)NNC(=O)Cc2cc(C)[nH]n2)c1	869014579	UOLCVFFKANULGD-LBPRGKRZSA-N	300.362	1.520	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CSc2ccccc2O)n1	1116413466	BRAYPORBXTVVBI-UHFFFAOYSA-N	323.399	1.710	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2nnn(C)c2C)c1	873755791	VENPEKVWGRUYAO-UHFFFAOYSA-N	318.406	1.372	50	20	DDGD	
CNC[C@@H](C)CNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	1117966138	BWPDVZHLZAEMFC-SFCYXTAJSA-N	322.453	1.389	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@H](C)CN2CCCCC2)cc[nH]1	875127329	LHHCMHRXPBDXJF-ZDUSSCGKSA-N	305.426	1.560	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)NOC1CCOCC1	773532897	DUIKDGLIMNPGTG-UHFFFAOYSA-N	309.351	1.428	50	20	DDGD	
CN(NC(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F)c1ccccc1	878228799	NGXFVRIFPICZKF-GHMZBOCLSA-N	315.295	1.469	50	20	DDGD	
CC(C)C[C@H]1CCCN1CC(=O)NNC(=O)c1ccccc1	777567228	QCMHFOOFXTWUMF-OAHLLOKOSA-N	303.406	1.958	50	20	DDGD	
COCCOc1ccccc1NC(=O)NNc1ncc(F)cn1	775563488	ZYIRPMRXUWPUGM-UHFFFAOYSA-N	321.312	1.790	50	20	DDGD	
CC(C)(C)c1ncc(NC(=O)NNc2ncc(F)cn2)cn1	775564945	CIQULRQJSLDOKU-UHFFFAOYSA-N	305.317	1.852	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cn(C)cc1C(F)(F)F	1116615338	WILZXKCIFHOFHM-UHFFFAOYSA-N	306.288	1.788	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccccc1O[C@@H]1CCOC1	878929260	FHOMHBBFVRRPGE-GFCCVEGCSA-N	309.366	1.469	50	20	DDGD	
Cc1ncc(NC(=O)C(=O)NNc2ccc3ccccc3n2)cn1	773661722	LTFYHKQUQWHIRV-UHFFFAOYSA-N	322.328	1.415	50	20	DDGD	
CO[C@@H]1CCC[C@H]1CNC(=O)NNC(=O)Cc1ccc(F)cc1	774790617	VVHGQIWYRZOPGM-GXTWGEPZSA-N	323.368	1.514	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	770161913	QBXIWOMSXLEVPM-UHFFFAOYSA-N	310.266	1.228	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)NC2CCCCC2)cc(O)n1	778217105	DSWXTWKASARUAQ-UHFFFAOYSA-N	306.366	1.626	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@@]1(C)CCCO	776598565	QZQMAJUYKRJRSA-BBRMVZONSA-N	313.442	1.195	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc2nnc(C(C)C)n2c1	879326281	PJCPXCHPIVVKQZ-UHFFFAOYSA-N	306.370	1.467	50	20	DDGD	
C[C@@](O)(Cc1ccccc1)C(=O)NNc1cc(Cl)nc(N)n1	773865211	FRUNXDIFUQTRJT-CQSZACIVSA-N	321.768	1.149	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2CCCN2C=O)cc1C	873762380	XGCXCZCSALFSSQ-CYBMUJFWSA-N	320.418	1.242	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNc1ccccc1S(C)(=O)=O	771648974	KMUHBJZBBJETFC-CYBMUJFWSA-N	300.380	1.084	50	20	DDGD	
COCCc1ccccc1NC(=O)NNC(=O)C1CCOCC1	879331427	FMZSRDRVLYLONQ-UHFFFAOYSA-N	321.377	1.455	50	20	DDGD	
CN(C)CCCC1CCN(S(=O)(=O)CCCCl)CC1	882031644	KCVSVJYJJYRXNV-UHFFFAOYSA-N	310.891	1.999	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NNC(=O)C1CCOCC1	883066982	PSNNVDWOQGSAKC-RYUDHWBXSA-N	308.403	1.734	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1c[nH]c2ccc(C)cc12	772257820	SLEKFTSYDHTMTN-JTQLQIEISA-N	317.345	1.579	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cn1	774360938	JQTSYLKHAYIHDN-VIFPVBQESA-N	315.782	1.010	50	20	DDGD	
Cc1cccc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)c1F	772188066	MYVZIBUSWCYMOM-LLVKDONJSA-N	324.352	1.873	50	20	DDGD	
O=C1NCCCc2cc(OS(=O)(=O)CCCCl)ccc21	882031949	SGTRGCMFGISRQH-UHFFFAOYSA-N	317.794	1.700	50	20	DDGD	
O=C(NNc1cccnc1Cl)[C@H]1CCCCS1(=O)=O	776170672	PZHAMYRFBKRTJH-SECBINFHSA-N	303.771	1.145	50	20	DDGD	
CN(CCCc1ccccc1)C(=O)NNC(=O)c1cccnn1	883849899	MEZJDCFRHZEZLO-UHFFFAOYSA-N	313.361	1.396	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cc(F)cc(F)c2)ncn1	783948838	UFCLZLBZIOPTDO-UHFFFAOYSA-N	307.260	1.145	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCC(=NNC(=O)CC(F)(F)F)C1	788425863	KUZPNDIAGXRLRW-MRVPVSSYSA-N	300.302	1.398	50	20	DDGD	
COc1cc(C(C)=NNC(=O)Cn2cnc3ccccc32)ccn1	782143634	PREIACOUIITVBD-UHFFFAOYSA-N	323.356	1.980	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NN=CCC1CCOCC1	788705484	WZGSIHPVHUZYRH-UHFFFAOYSA-N	321.333	1.892	50	20	DDGD	
O=C(NN=C1CCOC2(CCOCC2)C1)c1ccccc1O	884375161	ONPVLGPPMAXLFG-UHFFFAOYSA-N	304.346	1.838	50	20	DDGD	
CCCC(O)(CCC)CC(=O)NNC(=O)C1CCOCC1	883065490	MTRNEGJNEDXBQK-UHFFFAOYSA-N	300.399	1.282	50	20	DDGD	
Cc1c(Cl)cccc1NC(=O)C(=O)NNc1ncc(F)cn1	784949462	LDNLOSPCNSBARR-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
CC[C@H](C(=O)NNc1c(F)cc(F)cc1F)N1CCCC1=O	885150897	OETJTONUESCYRF-LLVKDONJSA-N	315.295	1.948	50	20	DDGD	
COC(=O)c1cccc(NC(=O)C(=O)NNc2ccccc2)c1	784764842	BRRWHUMNMAHFTP-UHFFFAOYSA-N	313.313	1.555	50	20	DDGD	
O=C(NNc1ncccc1Cl)C(=O)Nc1ccc(F)nc1	784816699	AOOOXRAMLTULDJ-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
Cc1cc(O)cc(=O)n1CCC(=O)NNc1ccc(C#N)cc1	783679485	MHIYNLFBJUGKSE-UHFFFAOYSA-N	312.329	1.267	50	20	DDGD	
Cn1cc(NC(=O)NNc2ccccn2)c(C(F)(F)F)n1	782802321	NJQKDXRYDDPOCC-UHFFFAOYSA-N	300.244	1.983	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](C(=O)NNc2ccc(C(F)(F)F)cn2)C1	1120722365	RRXHBCSXOAIDKQ-OCAPTIKFSA-N	317.267	1.743	50	20	DDGD	
CC/C(C)=C(/C)C(=O)OCC(=O)NNC(=O)c1ccccc1	780217510	YWTKEEXCWZNTQR-QXMHVHEDSA-N	304.346	1.737	50	20	DDGD	
CCNC(=O)NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c1ccccc1	785367090	SKFZQHZGRURILG-GJSJWPQCSA-N	315.329	1.371	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CCC(=O)N[C@@H](C)c1ccccc1	895523570	CISSVFNSBUDASW-ZDUSSCGKSA-N	319.405	1.838	50	20	DDGD	
O=C(CCCCc1ccccc1)NNC(=O)Cc1cc[nH]n1	896212194	ZDDBMUFOQWRTGY-UHFFFAOYSA-N	300.362	1.513	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1C1CC1)c1cc(Cl)ccc1O	787866716	UBTPQNMCZMKHSZ-LBPRGKRZSA-N	323.780	1.433	50	20	DDGD	
Cn1cc(C(=O)NNC(=S)NC(C)(C)C)c(-c2ccoc2)n1	899996023	MHQQVZJXWMFDKK-UHFFFAOYSA-N	321.406	1.588	50	20	DDGD	
Cn1cc(C=NNC(=O)C(=O)N2CCCC2)c2cc(F)ccc21	794857911	ZIACODULWNSACF-UHFFFAOYSA-N	316.336	1.390	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CCOC3(CCC3)C2)nc1	897234686	MKPRZLXKKDHELF-LLVKDONJSA-N	319.361	1.661	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1cccc(Br)c1C	790513927	MHCQNCGSCLCFOD-UHFFFAOYSA-N	314.183	1.650	50	20	DDGD	
CN1CCc2cc(C=NNC(=O)c3ccc(O)c(O)c3)ccc21	794559651	YXCBLNRTAXJUGD-UHFFFAOYSA-N	311.341	1.854	50	20	DDGD	
CSSCCNC(=O)N1CCC(CCC(N)=O)CC1	790881457	DTCHHNOARSOASP-UHFFFAOYSA-N	305.469	1.685	50	20	DDGD	
CC(=NNC(=O)Cn1cnc2ccccc21)c1ccc(O)nn1	790147525	HCHHTUPZVNQGHC-UHFFFAOYSA-N	310.317	1.072	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccc(O)c(O)c2)cc(OC)c1	794555325	CKDBLPRSKYUGAA-UHFFFAOYSA-N	316.313	1.879	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C2=NO[C@H](c3ccccc3)C2)n1	794079712	DNEQFVGLOSTKQL-HNNXBMFYSA-N	324.340	1.669	50	20	DDGD	
CC[C@@H](C)n1ncc(NC(=O)NNC(=O)c2ccc[nH]2)c1C	792483671	RFROKHPCCYOVCH-SECBINFHSA-N	304.354	1.957	50	20	DDGD	
C[C@@](O)(CSc1cccc(F)c1)C(=O)NNc1ncccn1	795048618	ZUHGWLNGIZOWPN-CQSZACIVSA-N	322.365	1.602	50	20	DDGD	
CC(=NNC(=O)c1cccc(C)n1)c1ccc(-n2cnnn2)cc1	794568081	VJGMHEXWUTYEPP-UHFFFAOYSA-N	321.344	1.520	50	20	DDGD	
CN(C)c1cccc(Cl)c1C=NNC(=O)[C@H]1CCC(=O)N1	1329557499	OAINAZZGYSCEFP-LLVKDONJSA-N	308.769	1.135	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCc2cncc(C)c2)cc1	1326802793	GXSRZODRWKGJNY-UHFFFAOYSA-N	313.357	1.792	50	20	DDGD	
C[C@@H](c1ccccc1)n1ccc(NC(=O)NNC(=O)CCO)n1	1320400375	AELHWLZOAKLAIJ-NSHDSACASA-N	317.349	1.028	50	20	DDGD	
C[C@H](O)c1cn(C2CN(C(=O)c3cccc(CCl)c3)C2)nn1	1336434697	RJUPUUKXBBTSPE-JTQLQIEISA-N	320.780	1.767	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC2(SC)CCC2)cc1	1339474631	KFOGIPCUDMPUMA-UHFFFAOYSA-N	323.418	1.925	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)Nc1nocc1C	1337815459	LUZYFSQEVPHCHU-UHFFFAOYSA-N	318.333	1.777	50	20	DDGD	
CCOc1cc(C(=O)NNc2ccc(C(F)(F)F)cn2)[nH]n1	1331168793	OZFDEPXPDSDSEN-UHFFFAOYSA-N	315.255	1.979	50	20	DDGD	
CCCCn1ncc(C(=O)NNc2nncc(N)c2Cl)c1C	1334277234	AEDRANVFRYVKKF-UHFFFAOYSA-N	323.788	1.774	50	20	DDGD	
O=C(NC/C=C\C1CC1)NNC(=O)[C@H]1COc2ccccc2O1	1261284561	ARGRGYOSWCHILN-VQTKUKTRSA-N	317.345	1.123	50	20	DDGD	
CC(=NNC(=O)C[N+](C)(C)C)c1ccc([N+](=O)[O-])cc1Cl	1344415638	JBZLKJPQSUJCDN-UHFFFAOYSA-O	313.765	1.795	50	20	DDGD	
COc1ccc(C(=O)NNS(=O)(=O)c2ccsc2)cc1	1340949539	ZATVULHHPLCENB-UHFFFAOYSA-N	312.372	1.380	50	20	DDGD	
C[C@]1(C(=O)NCC2(C#N)CCOCC2)C[C@@H]1Br	1514976927	CSHLLZZVZXBPHT-ONGXEEELSA-N	301.184	1.596	50	20	DDGD	
O=C(CCn1cc([N+](=O)[O-])cn1)NNc1ccccc1C(=O)O	1608324052	LBFVJOGRAMIOFU-UHFFFAOYSA-N	319.277	1.023	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2ccc(F)c(C(=O)O)c2)cn1	1608200100	CMCVNEIJUNEOCV-UHFFFAOYSA-N	300.249	1.547	50	20	DDGD	
CCCn1cc(C(=O)NNc2ccc(C(=O)O)c(Cl)c2)nn1	1605385758	YSEDZMJYSHAFQP-UHFFFAOYSA-N	323.740	1.797	50	20	DDGD	
O=C(O)CCCCC(=O)NNC(=O)NCCc1cccs1	1606142120	VEVCURVOFNYXMJ-UHFFFAOYSA-N	313.379	1.266	50	20	DDGD	
O=C(CCc1ccccc1C(=O)O)NNC(=O)c1ccoc1	1601290851	ITICXGCMJYTMHM-UHFFFAOYSA-N	302.286	1.372	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccc(C(=O)O)c2ccccc12	1601280711	XMTUUQKGIPQUHA-UHFFFAOYSA-N	317.301	1.073	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1ccc(C(=O)O)c(F)c1	1600978904	WHHYTXBKAGHQND-UHFFFAOYSA-N	320.280	1.329	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cccc3nccn23)c1F	1608936302	LMNBKZYSSLHAQH-UHFFFAOYSA-N	314.276	1.929	50	20	DDGD	
Cc1ccc(NNC(=O)CNC(=O)CC(C)(C)C)cc1C(=O)O	1600462926	RVBUHFSAPCNAQZ-UHFFFAOYSA-N	321.377	1.689	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(Cc1ccccc1)[C@H](C)C(=O)O	1610035577	PICYZSSESDQSPL-POKNLVKOSA-N	302.330	1.932	50	20	DDGD	
C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)Br)C2	1801601715	VDDOXNAXQRQJKI-MMWGEVLESA-N	313.195	1.041	50	20	DDGD	
C/C=C/C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cl)COC)C2	1801606809	ADIIFWRGHFDMLY-DDSNJXNFSA-N	314.813	1.455	50	20	DDGD	
CC[C@H](C)CC(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2	1841488996	FIMMAZXLVMXOSW-RYUDHWBXSA-N	316.829	1.226	50	20	DDGD	
C[C@H](Br)C(=O)N1CC2(CCCN2C(=O)C2CC2)C1	1846761773	JKGRINBBGVSJJU-VIFPVBQESA-N	315.211	1.383	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)CC(=O)O)cc1	1592426542	VUQOHDSITAHWSU-KWJWQAOWSA-N	302.330	1.972	50	20	DDGD	
CN(C)Cc1ccc(C(=O)NN=Cc2ccc(C(=O)O)n2C)o1	1598248967	SBVLRBLUWFSVFA-UHFFFAOYSA-N	318.333	1.142	50	20	DDGD	
CO[C@@H](C(=O)O)C(=O)NN(c1ccccc1)c1ccccc1	1593908196	DPQCVXDOHRCCCP-CQSZACIVSA-N	300.314	1.956	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)O	1596862652	IHGSNIQFESASIN-CVCOIXHCSA-N	318.329	1.196	50	20	DDGD	
CC(C)(CC(=O)O)CC(=O)NN=c1cc[nH]c2cccnc12	1590635494	ROLUXNDSRSIBSE-UHFFFAOYSA-N	302.334	1.386	50	20	DDGD	
COc1nc(C)ccc1C(=O)NNc1ccc(CC(=O)O)cc1	1599730770	YWVXQMXUBRZJKB-UHFFFAOYSA-N	315.329	1.783	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)O)CCCCC1)c1cccc(F)n1	1594779506	SJDNCLBMSQINHW-UHFFFAOYSA-N	309.297	1.017	50	20	DDGD	
N#Cc1cc(F)ccc1NC(=O)NNc1ncccc1C(=O)O	1594615702	GBKDJVBJZBIXRI-UHFFFAOYSA-N	315.264	1.939	50	20	DDGD	
COc1cccc(C(=O)NN=C(C)c2cncc(C(=O)O)c2)c1	1776110216	SDHZRPGNANZCBH-UHFFFAOYSA-N	313.313	1.942	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(N)=O)c1C	5870102	QTQALXFXEFNHGK-ZBQKXELDSA-N	303.362	1.839	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H]2CCCCO2)c1	161341211	CLMOLYUIZFPVCA-ZDUSSCGKSA-N	306.362	1.399	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	158911613	GRFVSRIDNVMRTH-JTQLQIEISA-N	312.341	1.413	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)NNc1cnc2ccccc2n1	163622845	PNABSEHSCGRVTF-UHFFFAOYSA-N	322.390	1.144	50	20	DDGD	
CC(C)NC(=O)CCCC(=O)NNc1ncccc1[N+](=O)[O-]	153042236	MYWWHRKQTCBXDS-UHFFFAOYSA-N	309.326	1.128	50	20	DDGD	
C[C@](NS(=O)(=O)CCCCCl)(C(N)=O)c1ccccc1	153905178	FLAJGFPDIPLEIM-CYBMUJFWSA-N	318.826	1.326	50	20	DDGD	
CC1(C)C[C@@H]1C(=O)NNc1nc(Br)cn2ccnc12	157252278	PHAKQCGHLRCETR-SSDOTTSWSA-N	324.182	1.981	50	20	DDGD	
Cc1cc(C(=O)NNc2cccc(F)c2)ccc1S(N)(=O)=O	154707490	GLMPOXCMVSLOHD-UHFFFAOYSA-N	323.349	1.538	50	20	DDGD	
Cc1c(CCC(=O)NNC(=O)c2ccc(Cl)nc2)cnn1C	154872218	BYIGFPBWVWFDOA-UHFFFAOYSA-N	321.768	1.171	50	20	DDGD	
O=S(=O)(NCC[C@@H](O)C1CC1)c1ccc(CCCl)cc1	908309516	ZJFNAHQHECGXHF-CQSZACIVSA-N	317.838	1.907	50	20	DDGD	
C#CC[C@@H](CO)NS(=O)(=O)c1ccc(CCCl)cc1	717769999	NGVYKELQDJSXDV-LBPRGKRZSA-N	301.795	1.130	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc(C)c(C)c1	8194396	CHEXEXMUYYEIGD-UHFFFAOYSA-N	309.435	1.791	50	20	DDGD	
Cc1ccc2nc(CNC(=O)NNC(=O)OC(C)(C)C)cn2c1	57228929	ICGJAEFHIVEBMT-UHFFFAOYSA-N	319.365	1.882	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CCSCC2)cc(C#N)n1C	58370628	BNHGZCKFVDMCOA-NTUHNPAUSA-N	300.387	1.688	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNc1nccnc1Cl	114893455	BOCFMMGAOZELEO-VIFPVBQESA-N	311.773	1.364	50	20	DDGD	
CN(C)Cc1ccc(C(=O)NNC(=O)Cc2cccnc2)cc1	103423335	YGNLSYRXGLKYEF-UHFFFAOYSA-N	312.373	1.147	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCOC1)c1cccc(OC(F)F)c1	103041443	GILIQTVRIQNGGI-VIFPVBQESA-N	300.261	1.086	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(F)c(-n2nnnc2C)c1	178964126	SMGWACPZJGCIRJ-CSKARUKUSA-N	316.296	1.492	50	20	DDGD	
COCc1nc(C(=O)NNC(=O)c2ccc(C#N)cc2)cs1	61462390	BNTQRWCEZDFKMY-UHFFFAOYSA-N	316.342	1.236	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](c2ccccc2)N(C)C)o1	176208616	DIKHJZIWLJXCHO-CQSZACIVSA-N	301.346	1.652	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2ccc(C#N)cc2)c1C#N	119730687	DBHJEJVCKVMZLU-UHFFFAOYSA-N	319.324	1.820	50	20	DDGD	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)NC1CC1	68270318	BHKATZXXZGBVEA-MRVPVSSYSA-N	324.362	1.568	50	20	DDGD	
Cc1nnc(NNC(=O)c2ccc(CC(C)C)cc2)nc1O	23310664	UIKKGNKVFRUEGY-UHFFFAOYSA-N	301.350	1.841	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H](c1ccccc1)N1CCCCC1=O	110664188	RGJPQPAHTOMXIM-AWEZNQCLSA-N	318.377	1.091	50	20	DDGD	
C[C@H]1CC(NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)C[C@H](C)C1	172512094	KDKFLTYCFQZTOF-JTNHKYCSSA-N	317.455	1.192	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H](C)Oc1ccc(F)c(F)c1	68500524	XMCUUSNZLODCDE-MRVPVSSYSA-N	315.345	1.413	50	20	DDGD	
CCO[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc[nH]2)C1(CC)CC	176670407	PVBMRBWOCIYQRN-STQMWFEESA-N	322.409	1.943	50	20	DDGD	
Cc1ccccc1-n1cc(C(=O)NNC(=O)c2ccc[nH]2)cn1	112193714	IZMIKDKWCZXVOP-UHFFFAOYSA-N	309.329	1.584	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1	65208103	KTVLJTJPURKWAY-GFCCVEGCSA-N	309.366	1.129	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2cccnn2)C12CCCC2	174238034	CXNPZBAGPYJJIB-NWDGAFQWSA-N	305.382	1.841	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)CCc1ccoc1	175522774	DWGFLECJVIPXKN-UHFFFAOYSA-N	317.345	1.480	50	20	DDGD	
CCC[C@H](C)N1C[C@@H](C(=O)NNC(=O)c2ccccc2)CC1=O	125989623	NNSZCIQORWIEGL-JSGCOSHPSA-N	317.389	1.485	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cc3c(F)cccc3[nH]2)cn1	117820809	LTOGITQFZFYOLR-UHFFFAOYSA-N	301.281	1.115	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cn1c(C)cc2ccccc21	65207146	QWBOWPYAVULXJT-UHFFFAOYSA-N	318.377	1.317	50	20	DDGD	
CCn1c(C)cc(C(=O)NNC(=O)Cc2ccncc2)c1C	176774661	IABJIHKPYWHULW-UHFFFAOYSA-N	300.362	1.524	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCC[C@@H](N(C)C)C2)s1	176617709	YCHSOQFVEYJAEP-NWDGAFQWSA-N	324.450	1.873	50	20	DDGD	
CC(C)N(C)CC(=O)NNC(=O)c1cc(-c2ccccc2)on1	68936767	DDYHUORTVIDRMY-UHFFFAOYSA-N	316.361	1.443	50	20	DDGD	
Cc1oc(-c2ccco2)nc1CC(=O)NNC(=O)C(C)(C)C	124288245	OEVNGZXKLDWTTJ-UHFFFAOYSA-N	305.334	1.979	50	20	DDGD	
C[C@H](CCC(=O)NNC(=O)c1cnn(C)c1)c1ccccc1	121685501	DTLKDXNAMNWCGC-GFCCVEGCSA-N	300.362	1.765	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)C(=O)N2CCCC2)cc1C	122172578	ZZUMLUICNYKAPV-UHFFFAOYSA-N	304.350	1.079	50	20	DDGD	
Cc1cc(NNC(=O)C2CCN(C(=O)C(C)C)CC2)nc(C)n1	128864684	NESKUXHZTVMZGO-UHFFFAOYSA-N	319.409	1.431	50	20	DDGD	
CCOc1cccc(NC(=O)NNC(=O)Cc2cc[nH]n2)c1	184464448	XTQLDWFJXHBSKV-UHFFFAOYSA-N	303.322	1.204	50	20	DDGD	
COC1(CNC(=O)NNC(=O)c2c[nH]c3ccccc23)CCC1	181511299	GEUIVTKCJRDDQH-UHFFFAOYSA-N	316.361	1.681	50	20	DDGD	
N#Cc1ccc(NNC(=O)CC(=O)NCC(F)(F)F)cc1	182144420	NUGWUELIEJKHGT-UHFFFAOYSA-N	300.240	1.070	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)Cc2ccncc2)CC[C@H]1C	186964897	BWPZMRQVHQKBIF-DYEKYZERSA-N	304.394	1.779	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc2ccccc2n1	71093837	ZKEOVFMNNGAUFW-JMSVASOKSA-N	311.341	1.563	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1cccc(O)c1	79253584	WZNGDEVSRSZNRS-UHFFFAOYSA-N	305.359	1.640	50	20	DDGD	
CNC(=O)/C(C#N)=C\c1cc(Br)c2c(c1)OCCO2	77506462	TXUMLVISJBWTHO-WTKPLQERSA-N	323.146	1.873	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F	75564269	LMTSNMOYZOABEN-NXEZZACHSA-N	311.357	1.750	50	20	DDGD	
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)CCCCCl	154204823	JUVWKBNVOHCLGV-UWVGGRQHSA-N	319.876	1.089	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)COCc2ccccc2)ccn1	183433520	JFNDWUNKQZHEME-UHFFFAOYSA-N	314.345	1.760	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NNC(=O)Cc1cccc2ccccc12	78876085	DDDUTGSMXYMDHN-HOTGVXAUSA-N	312.369	1.955	50	20	DDGD	
O=C(NNc1nc(Br)cn2ccnc12)c1ccoc1	78244281	JTGUBMLZOFCCFM-UHFFFAOYSA-N	322.122	1.842	50	20	DDGD	
CO[C@@H](C)CCC(=O)NNc1nnc(-c2ccccn2)s1	188200856	DNOCXMJUWCAFHO-VIFPVBQESA-N	307.379	1.858	50	20	DDGD	
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NNc1ccnc(F)c1	182477251	PMSFGACSDKXKJD-CYBMUJFWSA-N	320.324	1.711	50	20	DDGD	
C[C@H](NC(=O)NNc1ccccc1C(F)(F)F)C(=O)N(C)C	46968209	CEHRKZJZWXQXDF-QMMMGPOBSA-N	318.299	1.808	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc(-c2cccs2)on1	73278812	YCNGOWZMZXZMGQ-UHFFFAOYSA-N	316.342	1.816	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C[C@@H]2CC[C@@H](C)C2)c1O	132049016	VRCDOUQSWHSQKB-GHMZBOCLSA-N	306.362	1.988	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)c2ccc(C)o2)cn1	84141072	YJTFLHXGFMPGPN-UHFFFAOYSA-N	304.306	1.136	50	20	DDGD	
CCOC(=O)c1ccc(/C=C(/C#N)C(=O)Nc2ccn(C)n2)o1	134498391	CFIVQMUSPMPWEN-NTMALXAHSA-N	314.301	1.735	50	20	DDGD	
O=C(NNC(=O)c1cccc(OC(F)F)c1)C1=CCOCC1	193149708	OYRMLVMHERPPRN-UHFFFAOYSA-N	312.272	1.396	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cc(C)c(F)cc1F	84650019	DVRWJPSPPWVIED-SSDOTTSWSA-N	306.334	1.629	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1cc(C)c(OC)cc1C	48652932	WOWKWTXAGLOEOH-UHFFFAOYSA-N	302.352	1.251	50	20	DDGD	
O=C(CC1OCCCO1)NNC(=O)c1cc2ccccc2o1	193451461	LJHOLXXUPWMFNV-UHFFFAOYSA-N	304.302	1.347	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccncc2C(F)(F)F)n1	192154352	IGMBDBUSNAVJJP-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
Cc1ccn(CC(=O)NNc2nnc(C3CC3)s2)c(=O)c1	192483287	OBCOGVVXXKKPFF-UHFFFAOYSA-N	305.363	1.029	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(OCC(F)F)nc1	90202072	ADHYTDSRCLSUHE-UHFFFAOYSA-N	301.293	1.533	50	20	DDGD	
C[C@H]1C[C@@H](C)C[C@H](NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)C1	246879398	KDKFLTYCFQZTOF-SFTQSGBHSA-N	317.455	1.192	50	20	DDGD	
COC(=O)N(C)CC(=O)NNc1ccccc1Br	269573496	COMBRVPYYYFLCC-UHFFFAOYSA-N	316.155	1.590	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cccc(N(C)C)c1	269877986	XPTFPXKFXWTNGL-UHFFFAOYSA-N	312.464	1.225	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2C[C@@H](C)CC2(C)C)n1	266926034	KFMGOAPYZHNBAB-JTQLQIEISA-N	324.450	1.262	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H](C)c2nncn2C)cccc1[N+](=O)[O-]	263957707	GXGDPTMLRWMSFD-VIFPVBQESA-N	319.325	1.419	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H](C)n1cccn1)c1ccccc1	264727705	WGWNQAIVEWPRNK-OCCSQVGLSA-N	300.362	1.785	50	20	DDGD	
CSCCCCC(=O)NNC(=O)[C@H]1COc2ccccc2O1	265687350	DZIHAUWGLJUEFI-CYBMUJFWSA-N	324.402	1.507	50	20	DDGD	
CC(C)CCC(=O)NNS(=O)(=O)c1cccc(C(=O)O)c1	263870873	ZEDJOCRLZZXYDC-UHFFFAOYSA-N	314.363	1.131	50	20	DDGD	
CSSCCNC(=O)N1CC[C@@H](C)S(=O)(=O)CC1	367920774	LCAVHYTTXJNECV-SECBINFHSA-N	312.482	1.216	50	20	DDGD	
COCC[C@H](C)NC(=O)NNc1cccc(S(C)(=O)=O)c1	271924401	XFALLNFWWMBSDW-JTQLQIEISA-N	315.395	1.141	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)C(=O)Nc1c(C)c(C)nn1C	275630438	BZCVPLBILJWQIW-UHFFFAOYSA-N	319.340	1.566	50	20	DDGD	
CC(C)Cn1ccc2c(C(=O)NNC(=O)CN(C)C)cccc21	278197810	NJWRGWYMJMSUCQ-UHFFFAOYSA-N	316.405	1.620	50	20	DDGD	
O=C(NNC(=O)N1CCO[C@H]2C[C@@H]21)c1cc2ccccc2o1	368643928	OSXQKAUMPISWAD-JQWIXIFHSA-N	301.302	1.260	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=O)CC1CC1	275603419	IKQCFRDTYKYFAB-UHFFFAOYSA-N	308.294	1.556	50	20	DDGD	
COC(=O)NNC(=O)Nc1cccc(CCCOC(C)=O)c1	276577015	SVXGVGXZGVQEDY-UHFFFAOYSA-N	309.322	1.575	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@@H](C)CCN1CCN(C)CC1	276693253	JUAFAEOHNALYST-AWEZNQCLSA-N	320.441	1.042	50	20	DDGD	
Cn1nc([C@@H]2CCCO2)cc1NC(=O)NNc1ncccc1F	287010112	CUQBFDQBZFCWOV-NSHDSACASA-N	320.328	1.954	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(C)n(-c2ccc(OC)cc2)n1	286504184	WRNSZTMIMAKCKU-UHFFFAOYSA-N	318.333	1.532	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@@H]2CCC[C@H](OC)C2)nc1	281380969	YJRMMXCHZOAOGP-YPMHNXCESA-N	321.377	1.907	50	20	DDGD	
O=C(CCc1ccc(O)nc1)NNc1nccnc1C1CCC1	286923847	IPTRXFISCGTEFQ-UHFFFAOYSA-N	313.361	1.921	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)CC(C)(C)O)[nH]n2)cc1	280836736	OTBITGGSYCCONH-UHFFFAOYSA-N	316.361	1.307	50	20	DDGD	
CCOC(=O)CC(C)(C)CC(=O)NNc1ccc(Cl)nn1	287848106	DUKQASFBFRZLSY-UHFFFAOYSA-N	314.773	1.943	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CCC[C@@H]1[C@H]1CCCO1	283971344	LDDSJFXUOZWUKN-HUUCEWRRSA-N	317.389	1.993	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H](C)CCN(C)C)cc1	299384122	RCHBPDDHVUVVIL-CYBMUJFWSA-N	322.409	1.044	50	20	DDGD	
COCCCCC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802100416	NWSUBPICNNBKGR-UHFFFAOYSA-N	309.322	1.385	50	20	DDGD	
CCN(CC)c1ccc(CNC(=O)NNc2ccncn2)cn1	296333987	MQXJUJBMKPPTPS-UHFFFAOYSA-N	315.381	1.544	50	20	DDGD	
C[C@@H]1Oc2c(cccc2C(=O)NNc2cccc(F)n2)NC1=O	804774017	ZHZCWCJYZBQFCR-QMMMGPOBSA-N	316.292	1.697	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H](O)c1ccc(Cl)cc1F	294101813	JGAQVENGVVKXLV-GFCCVEGCSA-N	300.717	1.460	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H]1CCCCN1C(=O)c1ccco1	294073401	HHMIVIRRQFGASI-GFCCVEGCSA-N	319.361	1.222	50	20	DDGD	
C[C@H](OC[C@@H]1CCCCO1)C(=O)NNC(=O)c1ccccc1	299313421	NCKIWMJOGMMGBY-JSGCOSHPSA-N	306.362	1.422	50	20	DDGD	
Cc1cc(F)ccc1CCNC(=O)NNC(=O)[C@@H]1CCCCO1	296364865	IMLBWEJEZPBXMA-AWEZNQCLSA-N	323.368	1.576	50	20	DDGD	
CC[C@H](C)c1ccc(C(=O)NNC(=O)N2CCN(C)CC2)cc1	807382087	WTPFVQLUVGECFB-ZDUSSCGKSA-N	318.421	1.802	50	20	DDGD	
CC(C)(CC(=O)NNc1nccc(N2CCOCC2)n1)C1CC1	295070359	VYGOZTAWKGQDSF-UHFFFAOYSA-N	319.409	1.583	50	20	DDGD	
CNc1ncc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)s1	807505844	GZRWOWAQSPDLSD-UHFFFAOYSA-N	315.358	1.783	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1nc2cccnc2s1	801141147	YTCSCNIQRPWTDB-UHFFFAOYSA-N	317.330	1.429	50	20	DDGD	
CN1C[C@@H](C(=O)NNc2cc(Cl)ccc2[N+](=O)[O-])CC1=O	296113794	NUPJQKAHTYPRIP-ZETCQYMHSA-N	312.713	1.170	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)Cn1cnc2ccccc21	299289445	HPZUHJSIKYGNKJ-GFCCVEGCSA-N	316.361	1.165	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNc1cc(C(F)(F)F)ccn1	295217681	ACGWWMGFTNTULD-LURJTMIESA-N	306.244	1.288	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC1C[C@@H]2CC[C@H](C1)N2C	297670898	WQOGKKZCDRRYKW-AGUYFDCRSA-N	316.405	1.564	50	20	DDGD	
C[C@H]1CN(C(=O)c2cccc(CCl)c2)C[C@@H](C)N1CCO	1358268651	ZTOBJDFLXWDNEW-BETUJISGSA-N	310.825	1.953	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cc(F)cc(OC)c2)[nH]1	815857536	IEIMRDSGYJNZKZ-UHFFFAOYSA-N	307.281	1.706	50	20	DDGD	
Nc1c(C(=O)NNc2cccc(Cl)n2)cccc1[N+](=O)[O-]	817008684	DAOYWHHRSAJEQM-UHFFFAOYSA-N	307.697	1.982	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCN(C(=O)C2CC2)C1	817672966	HWHMHIZPRPVITL-UHFFFAOYSA-N	324.812	1.391	50	20	DDGD	
CC(=NNC(=O)Nc1ccc2c(c1)OCO2)c1ccc(N)nc1	814992561	LZXVNIYZEDICKE-UHFFFAOYSA-N	313.317	1.938	50	20	DDGD	
C[C@H](COc1cccc(F)c1)NC(=O)NNc1ncncc1F	814284399	FUXWYCOZJABVDV-SECBINFHSA-N	323.303	1.848	50	20	DDGD	
Cc1ccc(CCC(=O)NNc2ncnc3[nH]cnc23)s1	810424309	LXGPCYVDPUNCFG-UHFFFAOYSA-N	302.363	1.799	50	20	DDGD	
COCCN(C)NC(=O)CCc1nnc(-c2ccsc2)o1	816561937	QZJYPDDKWOWODY-UHFFFAOYSA-N	310.379	1.340	50	20	DDGD	
COC1([C@@H](C)NC(=O)NNc2ncccc2C)CCOCC1	817177056	CEHCNJJHXJUEMP-GFCCVEGCSA-N	308.382	1.600	50	20	DDGD	
CC[C@@H](CNC(=O)NN=c1sc2ccccc2n1C)OC	811968032	AHTIUWCPZDHHIR-JTQLQIEISA-N	308.407	1.780	50	20	DDGD	
COc1ccc(SCC(=O)NNc2nnc(C)c(O)n2)cc1	817282169	DILLDNAQHJLFBR-UHFFFAOYSA-N	321.362	1.130	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NNC(=O)[C@@H]2CCCC[C@H]2C)c1	819909186	XKHAVVQOSXAFPW-QMTHXVAHSA-N	318.377	1.627	50	20	DDGD	
COc1cccc2c1OCC[C@H]2NC(=O)NNC(=O)C(C)(C)C	725874703	LVBARZXZQNQHSO-LLVKDONJSA-N	321.377	1.895	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C2(C(C)C)COC2)cn1	829003350	LWQYNMNPNXREQG-UHFFFAOYSA-N	324.406	1.080	50	20	DDGD	
CC(C)Oc1cccc([C@@H](C)NCC(=O)NNC(=O)C(C)C)c1	828647328	CTZAJFRISLSMQF-CYBMUJFWSA-N	321.421	1.928	50	20	DDGD	
CN(NC(=O)Nc1ccn(CCc2ccncc2)n1)C1CC1	824200425	ZKIUBWDPUPMNMY-UHFFFAOYSA-N	300.366	1.652	50	20	DDGD	
CCN1CCC(N2CCCN(S(=O)(=O)CCl)CC2)CC1	827752486	FKNVVNZQXBWKHW-UHFFFAOYSA-N	323.890	1.005	50	20	DDGD	
CC(C)N1CCC[C@@H]1C(=O)NNc1cc(O)nc2ncccc12	829009222	SNDOICWGHWCAPT-CYBMUJFWSA-N	315.377	1.651	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC2=NC[C@@H](C)S2)cc(C#N)n1C	491008784	JAQFPJJYXVXCAT-UYJACEEMSA-N	313.386	1.720	50	20	DDGD	
COc1ccc(OC(F)(F)F)c(C(=O)NN(C)C(N)=O)c1	827614157	YDJMHQFIEMMZMT-UHFFFAOYSA-N	307.228	1.249	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C[C@@]1(C)CC1(Cl)Cl	822231584	YGRGDGKMEQCXTR-NSHDSACASA-N	304.177	1.760	50	20	DDGD	
Cc1nn(C(C)C)cc1C=NNC(=O)CNC(=O)OC(C)(C)C	491302235	YLJQXGAPSPXDBX-UHFFFAOYSA-N	323.397	1.747	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2COc3cc(F)ccc3C2)nn1	822513681	RPQOIVCYBBAECS-GFCCVEGCSA-N	317.324	1.554	50	20	DDGD	
CO[C@@H]1CCC[C@H](C(=O)NNC(=O)CNc2ccc(C)cc2)C1	824037358	KVJQUIGNWMLHMG-DZGCQCFKSA-N	319.405	1.760	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@](C)(CC(=O)OC)c1ccccn1	491132485	NLDKPIBTBNUTBW-PCUGXKRQSA-N	317.345	1.420	50	20	DDGD	
COC(=O)N(C)c1ccc(NC(=O)NNC(=O)C(C)C)cc1	495286789	NIVTUWCDVJYRRO-UHFFFAOYSA-N	308.338	1.698	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccccc1Cn1cncn1	494472518	SDSOCPGWTVTEFW-UHFFFAOYSA-N	304.310	1.109	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)c1ccc(-c2nn[nH]n2)[nH]1	826447773	VJPBOSBDGKWNNH-UHFFFAOYSA-N	305.248	1.230	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C	496713531	DZZDREZTBAQITR-NWDGAFQWSA-N	315.414	1.241	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(C)(C(=O)NNc2ncccc2F)C1	496148021	BEVRZDQTHITUKS-UHFFFAOYSA-N	324.356	1.921	50	20	DDGD	
O=C(NNC(=O)c1cc[nH]n1)Nc1ccc([C@H]2CCOC2)cc1	823582891	CKKWKLPJPRSHAZ-NSHDSACASA-N	315.333	1.380	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCCNc1cnccn1	490979775	YZYXZDDNGDUCBZ-UKTHLTGXSA-N	309.329	1.317	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNC(=O)c2cccc3cccnc23)CCN1C	825643663	IFTYLVIIEBDUEH-DGCLKSJQSA-N	312.373	1.336	50	20	DDGD	
CC(C)(C)[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)c1ccco1	584946901	ADFXOADGKWMYJG-CQSZACIVSA-N	319.141	1.616	50	20	DDGD	
C#CCn1ccc(CN(CC)C(=O)NNC(=O)C2CCCC2)n1	491242428	QGRJCDOSSAGWRE-UHFFFAOYSA-N	317.393	1.269	50	20	DDGD	
Cc1noc([C@H](C)NC(=O)NNC(=O)c2ccccc2C)n1	726279426	OFBHZDZLFDPHDQ-VIFPVBQESA-N	303.322	1.392	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(Br)c(F)c1	495759725	DAPNKWHVZLHALK-UHFFFAOYSA-N	305.103	1.931	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC2CCC(C(=O)O)CC2)o1	821063998	LIVKAXOVRXFEMV-UHFFFAOYSA-N	309.322	1.175	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(C)c1	825775843	GVDBTWOLNFMRLC-UKRRQHHQSA-N	319.405	1.601	50	20	DDGD	
O=CN1CCC[C@H]1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	822387497	LVYIMYXSUOTWGM-JTQLQIEISA-N	312.713	1.312	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CCc1cccc2c1OCO2	495464015	RQNQONHRUZFHCU-UHFFFAOYSA-N	308.334	1.904	50	20	DDGD	
CC1=NO[C@](C)(C(=O)NNC(=O)c2cccc(N(C)C)c2)C1	901293157	YIXBKAZAMACZJE-HNNXBMFYSA-N	304.350	1.069	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)c1cn(C)c2ccccc12	491675139	YRWSJFYPVQLLLY-UHFFFAOYSA-N	305.341	1.772	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)O1	825182408	IUXNQUOALQTVJF-NWDGAFQWSA-N	302.338	1.267	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2C[C@]3(CCCO3)[C@@H]2C2CC2)cn1	491009431	KDUZBSKNEMCIDT-CMIWADLOSA-N	312.373	1.497	50	20	DDGD	
Cc1ccccc1C[C@H]1CCCN1C(=O)c1cccc(B(O)O)c1	584947351	MPAAXJSOMBMKOJ-GOSISDBHSA-N	323.201	1.522	50	20	DDGD	
CC/C(C)=C/C(=O)NNC(=O)c1csc(N2CCOCC2)n1	822206541	MWTOSMYOJIBTKB-CSKARUKUSA-N	324.406	1.097	50	20	DDGD	
CO[C@@H](c1ccccc1F)[C@@H](C)NCc1ccc(B(O)O)cc1	585032955	RXNSKPWRDFXEGH-SJKOYZFVSA-N	317.169	1.371	50	20	DDGD	
CCCCNC(=O)NNC(=O)CC1CCN(OCC)CC1	823762362	DCDHSKIVDYCYBT-UHFFFAOYSA-N	300.403	1.171	50	20	DDGD	
CCC[C@@H](C)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O	733357787	HEEFQRINQPLMOR-LLVKDONJSA-N	316.361	1.775	50	20	DDGD	
CCc1sc([C@H](C)NC(=O)c2cccc(B(O)O)c2)cc1C	584965343	NDMIPDBVZARXKN-NSHDSACASA-N	317.219	1.790	50	20	DDGD	
Cc1ccc(C[C@H](C)NC(=O)c2ccc(B(O)O)cc2)s1	584950176	QFDJZGKVTKGUFK-JTQLQIEISA-N	303.192	1.097	50	20	DDGD	
C[C@@]1(C(=O)NCc2ccc(C(N)=O)cc2)C[C@@H]1Br	905253418	RYUXNJWBWWHQSW-GXFFZTMASA-N	311.179	1.575	50	20	DDGD	
C=CCc1cc(C(=O)NN(C)[C@@H](C)CO)cc(OC)c1OC	823982671	CJRYNTZYZLCHCV-NSHDSACASA-N	308.378	1.390	50	20	DDGD	
CCCNC(=O)/C(C#N)=C\c1cccc(O[C@@H](C)C(=O)O)c1	490943826	TXOOOKNHAYMNSD-LFTLCWSBSA-N	302.330	1.972	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N(C)[C@H]2CCCOC2)cc(C#N)n1C	490942195	NIEHMQZPYJOEBV-LULHVWEPSA-N	312.373	1.750	50	20	DDGD	
O=C(NCB(O)O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1	585060500	RZIHYAJYYSINDL-UHFFFAOYSA-N	309.052	1.513	50	20	DDGD	
CN(C)[C@@H](C(=O)NNc1ncccn1)c1cccc(Cl)c1	731868546	JDWGRIVGBQBYDJ-GFCCVEGCSA-N	305.769	1.876	50	20	DDGD	
CC(C)(C)OC(=O)N(CC(=O)NNC(=O)C1CC1)CC1CC1	492009488	VYBZAHDERKRTMU-UHFFFAOYSA-N	311.382	1.191	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)Cn2cnc3ccccc32)CCCCO1	837309227	FTXUZSBVFAKEGM-INIZCTEOSA-N	316.361	1.143	50	20	DDGD	
C[C@H]1CN(C(=O)c2cccc(B(O)O)c2)CC[C@@H]1c1ccccc1	584953617	XCYCTFPSIVRILA-KSSFIOAISA-N	323.201	1.632	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](CC(=O)NNC(=O)[C@H]2CCCCO2)CCO1	833243765	XGMHZFYVRJCVJR-MJBXVCDLSA-N	312.410	1.544	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cccc(CC#N)c1	835330487	MOUSZUGTNQEYLO-UHFFFAOYSA-N	309.416	1.819	50	20	DDGD	
C[C@@H](NCc1cccc(B(O)O)c1)c1nc2c(s1)CCC2	585045874	IWHBZCIKIRGOPE-SNVBAGLBSA-N	302.208	1.162	50	20	DDGD	
COC(=O)N1CCC(C(=O)NNc2ccc(F)cc2F)CC1	830786424	QKRCKLSIUPCTSN-UHFFFAOYSA-N	313.304	1.886	50	20	DDGD	
COc1ccccc1C(=O)NN=C1C(=O)Nc2ccc(F)cc21	731488049	QEVQAXKPQHJDMG-UHFFFAOYSA-N	313.288	1.921	50	20	DDGD	
CC(C)COC[C@H](NCc1ccc(B(O)O)cc1)c1ccco1	585020864	KWPKQOIDSCEBQA-INIZCTEOSA-N	317.194	1.463	50	20	DDGD	
C=CCOc1cccc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1	730577569	WIDYXPUMDQYMOY-CYBMUJFWSA-N	322.386	1.136	50	20	DDGD	
CC[C@@H](Cc1ccccc1)C(=O)NNC(=O)NCCCOC	732757819	XXORVYSCVWYARG-AWEZNQCLSA-N	307.394	1.622	50	20	DDGD	
CN(NC(=O)c1ccn(CC(F)F)n1)C(=O)OC(C)(C)C	838372729	UWYMHAJDTWPZRG-UHFFFAOYSA-N	304.297	1.660	50	20	DDGD	
COc1ccc(F)cc1[C@H](C)NCc1ccccc1B(O)O	585016891	CZAGBGCKOYGAJR-NSHDSACASA-N	303.142	1.365	50	20	DDGD	
CC1(C)CN=C(N2CCN(S(=O)(=O)CCl)CC2)S1	830827836	QSOZBGCEHKRXFN-UHFFFAOYSA-N	311.860	1.012	50	20	DDGD	
OB(O)c1ccc(CN[C@H](CC(F)(F)F)c2ccccc2)o1	585016824	AOLQGCNHQPDGHA-GFCCVEGCSA-N	313.084	1.743	50	20	DDGD	
Cc1ccn(CC(=O)NNC(=O)Nc2ccc(N(C)C)cc2)n1	831948986	MIAMBGAOQHQKDX-UHFFFAOYSA-N	316.365	1.110	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)/C=C\c2cnn(C)c2)c1	731542829	RRSJYUDTORTSRC-SREVYHEPSA-N	315.402	1.760	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)[C@@H]2CCCCO2)CCCS1	836357979	MXNRKSVAJTZWFR-GXFFZTMASA-N	301.412	1.172	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCCCC#N)c1F	838289041	PKBDFONHOILXDP-UHFFFAOYSA-N	308.313	1.932	50	20	DDGD	
CC(=O)N1CCC(NC(=O)NNc2cccc(C(=O)O)c2)CC1	833391949	XLUUEIMNFMFPQF-UHFFFAOYSA-N	320.349	1.022	50	20	DDGD	
O=C(CCc1ccco1)NNC(=O)[C@H]1CCC[C@@H](C(=O)O)C1	833103523	PNFJGLCNVJPHKS-WDEREUQCSA-N	308.334	1.251	50	20	DDGD	
CO[C@H]1CCC[C@@H](c2nc(-c3ccc(B(O)O)cc3)no2)C1	585053143	BTEAOCOOCHMCMS-YPMHNXCESA-N	302.139	1.089	50	20	DDGD	
CCCN1C[C@H](C(=O)NNc2cc(F)c(F)cc2F)CC1=O	839682792	IKLYYQONBIEKBD-MRVPVSSYSA-N	315.295	1.806	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](C)c1cccc(C2CC2)c1	838626851	OTJHLHOZGFBSJQ-LLVKDONJSA-N	305.378	1.992	50	20	DDGD	
C=C(CC)CNC(=O)NNC(=O)COc1cc(C)ccc1C	838720959	UIXSOCDQNJMVLG-UHFFFAOYSA-N	305.378	1.979	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](CC(C)C)C(N)=O)c([N+](=O)[O-])c1	839706304	MVUGTZUYJADNDY-SNVBAGLBSA-N	324.337	1.194	50	20	DDGD	
CSC(C)(C)C(=O)NNc1cccc(S(C)(=O)=O)c1	831749919	LILIJZCYZGKWKZ-UHFFFAOYSA-N	302.421	1.675	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccccc1NC(=O)O	739043678	SXLMYKUMZUFBPQ-UHFFFAOYSA-N	302.290	1.190	50	20	DDGD	
NC(=O)C(=O)NN=Cc1sc(Oc2ccccc2)nc1Cl	915934707	GQOSQFPVCCNZGI-UHFFFAOYSA-N	324.749	1.524	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNC(=O)C1CCC1)Cc1ccccc1	732438729	CCWXHXOFQLJFQD-OAHLLOKOSA-N	318.421	1.290	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2cccc(O)c2O)cc1	916296740	HZQJAWFXSLNSLB-UHFFFAOYSA-N	316.313	1.636	50	20	DDGD	
CC[C@@H]1CCCN1CC(=O)NNC(=O)Cc1ccccc1C	839478399	FIVQZDNBSWIPGV-OAHLLOKOSA-N	303.406	1.559	50	20	DDGD	
COC(=O)[C@H](CNS(=O)(=O)CCl)c1ccc(C)cc1	830423413	RLNIOFLFHALZQV-LLVKDONJSA-N	305.783	1.367	50	20	DDGD	
O=C(CCN1CCCC1=O)NNc1ncccc1C(F)(F)F	740100344	KWFNRESUDZEEMC-UHFFFAOYSA-N	316.283	1.556	50	20	DDGD	
C[C@H]1C[C@@H](C)CN1CC(=O)NNC(=O)c1cccc(Cl)c1	740885062	YLIFIPPNDZHLNL-MNOVXSKESA-N	309.797	1.831	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H](C)[C@@H](OC)C2CC2)n1	836642352	RXQAKIMAMYVGQG-JOYOIKCWSA-N	309.370	1.233	50	20	DDGD	
CCOC(=O)[C@H](CC(=O)NNc1ccc([N+](=O)[O-])cc1)C(C)=O	830757276	LMYHRCYVOIHKGV-GFCCVEGCSA-N	323.305	1.196	50	20	DDGD	
CCC(C)(C)CC(=O)NNC(=O)CNC(=O)c1cccs1	744491020	ILQGSPGVQHITCX-UHFFFAOYSA-N	311.407	1.452	50	20	DDGD	
CCc1cccc2c(C=NNC(=O)CN3CCCC3=O)c[nH]c12	916359242	QLQZSAGKSJAMLD-UHFFFAOYSA-N	312.373	1.803	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cc(C3CC3)n(C)n2)n1	748338712	HQZYYZBIMSASJB-UHFFFAOYSA-N	306.757	1.806	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cccc2c1OCCCO2	748259541	WYLWWRTYHYALSU-LBPRGKRZSA-N	322.361	1.350	50	20	DDGD	
O=C(NN=Cc1ccc(O)cc1)c1nnc(O)c2ccccc12	916319987	BFBVSTGXBJNAQI-UHFFFAOYSA-N	308.297	1.805	50	20	DDGD	
COc1ccc(N(C)CC(=O)NNC(=O)C(C)(C)C)cc1OC	744390165	DJHPWYUXCKRIDV-UHFFFAOYSA-N	323.393	1.334	50	20	DDGD	
O=C(COc1ccc(F)cc1)NN=Cc1cnc2cnccn12	746370261	HTFSVSCCEXHGQW-UHFFFAOYSA-N	313.292	1.398	50	20	DDGD	
O=C(CC[C@@H]1CCCN1)NNc1ncc(Br)cn1	848436675	ZTILZKDIJPYIEF-VIFPVBQESA-N	314.187	1.214	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(C)c(N(C)C)cc1C#N	841712400	PBROFVPIGZBPDC-UHFFFAOYSA-N	318.381	1.631	50	20	DDGD	
Cc1ccc(C=NNC(=O)Cc2cc(O)nc(O)n2)cc1C	743448076	XDURPLQTXZDSSS-UHFFFAOYSA-N	300.318	1.197	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C/C=C\c1ccccc1[N+](=O)[O-]	748259238	HIOVAIMNMPQFBL-AMSJDGFBSA-N	321.333	1.762	50	20	DDGD	
CCN(CC(=O)NNC(=O)C(C)(C)C)[C@H](C)c1cccc(O)c1	749846349	YJQLSZRLFHGONM-GFCCVEGCSA-N	321.421	1.969	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@H](C)NC(=O)NNc1ccc(Cl)nn1	840416859	NGVNHLZNFGIMEM-ISVAXAHUSA-N	313.789	1.960	50	20	DDGD	
CC(=NNC(=O)c1ncccn1)c1ccc2c(c1)OCCCO2	841663147	SGKSSEIACGVKFG-UHFFFAOYSA-N	312.329	1.792	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)CC(F)(F)F)c1	743317218	FUYXQJSOSVQGFJ-UHFFFAOYSA-N	305.212	1.617	50	20	DDGD	
CCc1ncc(C=NNC(=O)[C@@H](C)CN2CCCCC2)cn1	841614259	JIKJAAFLVWRVAQ-ZDUSSCGKSA-N	303.410	1.611	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)C(C)(C)CO)cc2C1	847291538	RRKJBHOKLCHKLM-VIFPVBQESA-N	310.419	1.652	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2cc1O)c1ncccn1	743291795	RWUJMKACEUFWOT-UHFFFAOYSA-N	308.297	1.410	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)c2cccs2)c1	744485318	WWCNEEPUIHSQBM-UHFFFAOYSA-N	318.354	1.675	50	20	DDGD	
Cc1c(NNC(=O)N[C@H]2CC[C@@H](CN)C2)cccc1[N+](=O)[O-]	842009305	AHUMSUIVHMVVNP-MNOVXSKESA-N	307.354	1.657	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@@H]1CCc2ccccc2O1	840288158	GLFCBBJZCLCNJQ-AWEZNQCLSA-N	315.329	1.504	50	20	DDGD	
O=C(NNc1ccccc1Br)c1cc[n+]([O-])cc1	748059929	XEHGMIMLBCYSSK-UHFFFAOYSA-N	308.135	1.839	50	20	DDGD	
C[C@H](NC(=O)NN=c1sc2ccccc2n1C)[C@H]1CCOC1	743652430	VCSQBMFQUFBNNR-QWRGUYRKSA-N	320.418	1.780	50	20	DDGD	
O=C(NN=CC1CCCCCC1)N[C@@H]1CCS(=O)(=O)C1	741839685	NCXVLNCNTXDPCD-GFCCVEGCSA-N	301.412	1.429	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CCc3nncn3C2)ccc1Cl	928339493	FMMLYHZAZKILSE-SNVBAGLBSA-N	305.769	1.946	50	20	DDGD	
CN(C)c1ncccc1C(=O)NNC(=O)c1cc2ccccc2o1	749473364	DQVRMMTULGUWIM-UHFFFAOYSA-N	324.340	1.969	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)C[C@H](OC)C(F)(F)F	845915216	PFNCUPDYULREFS-JTQLQIEISA-N	320.267	1.884	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)COc1cccc(C#N)c1)C1CC1	751616567	FKQOCKRKZJFNHD-JTQLQIEISA-N	318.402	1.231	50	20	DDGD	
C[C@@H]1COC[C@@H]1NC(=O)NNC(=O)Nc1ccc(Cl)cc1	926021483	XZIZSAGUSDVCJL-KCJUWKMLSA-N	312.757	1.711	50	20	DDGD	
COc1ccc(C#N)cc1NC(=O)NNC(=O)c1cc(C)[nH]n1	756273262	AOLWABGINMOLHK-UHFFFAOYSA-N	314.305	1.065	50	20	DDGD	
O=C(CCCC[C@H]1CCSS1)N[C@@]1(CO)CCOC1	754597392	RGHWSGTYJTYMHK-WCQYABFASA-N	305.465	1.968	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)OCC(F)(F)F)cc1O	856021299	DAXVPCRIGXUKFP-UHFFFAOYSA-N	306.240	1.563	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1cc(C(=O)O)ccc1O	757462224	ZQRXPCWBVCKKEP-UHFFFAOYSA-N	309.322	1.150	50	20	DDGD	
C#CCOCCC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)OC)c1	756651498	RCUZMNYJZNFZBJ-UHFFFAOYSA-N	307.258	1.327	50	20	DDGD	
CN(C)C1CCC(NC(=O)NNc2ncc(Cl)cn2)CC1	856918560	LOGDRGLHOXRZCT-UHFFFAOYSA-N	312.805	1.629	50	20	DDGD	
N#CSCCCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1	854362179	DZWRYBUXKOXGBJ-INIZCTEOSA-N	319.430	1.344	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2cnn(C3CC3)c2)o1	858910123	ORTVBHGXPAFUFI-UHFFFAOYSA-N	300.322	1.958	50	20	DDGD	
C[C@@]1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H]1Br	857395344	SADPZLWMYAJBBM-RCOVLWMOSA-N	303.116	1.221	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1	755640555	JFCRNRLTGYYOOZ-GFCCVEGCSA-N	320.349	1.367	50	20	DDGD	
COCCCOCCC(=O)NN=c1cc[nH]c2ccccc12	857124385	XUORTYLXXLVUHP-UHFFFAOYSA-N	303.362	1.543	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@H]2CCCCN2)C[C@H]1Br	857104038	LNMODYAVOCHZKO-CKYFFXLPSA-N	304.232	1.601	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@H](C)c1cccs1	854282389	VYMRQYLCFNBMBW-SNVBAGLBSA-N	315.464	1.726	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)COCc1ccccc1)C1CC1	859488685	ALSNUPYSGDBKSF-OAHLLOKOSA-N	306.362	1.166	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1ccc([N+](=O)[O-])cc1F)C(C)C	855621060	GCXWKCSKGRUESY-LBPRGKRZSA-N	312.301	1.338	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NN(C)C(=O)OC(C)(C)C)C1	857868775	CAESEYFAWKJWIW-KOLCDFICSA-N	308.382	1.974	50	20	DDGD	
O=C(NCCOCCF)NNC(=O)c1cc2c(s1)CCC2	852715297	GVXADZQHTCVRSE-UHFFFAOYSA-N	315.370	1.167	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc2[nH]ccc2c1	854282513	YKYDBPFWLZHNQG-UHFFFAOYSA-N	320.418	1.656	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)OCC(F)(F)F)cc([N+](=O)[O-])c1	856024200	MFRZNHCNMCTOAB-UHFFFAOYSA-N	321.211	1.837	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)c2ccc(N)cc2)C[C@@H]1Br	856754696	MASQIQZNMCTADF-QWRGUYRKSA-N	319.224	1.721	50	20	DDGD	
COC(=O)c1cc(NNC(=O)COC[C@H]2CCCO2)ccc1C	857267834	QKVFWNTTYNJZFV-CYBMUJFWSA-N	322.361	1.420	50	20	DDGD	
CCCN1CC[C@H](NC(=O)NNC(=O)CCc2ccccc2)C1	852631052	GQSKWQMEGLHGJE-HNNXBMFYSA-N	318.421	1.434	50	20	DDGD	
Cc1cc(=NNC(=O)Cc2cc(F)cc3c2OCOC3)cc[nH]1	862509697	REAMTVKHIMBOMF-UHFFFAOYSA-N	317.320	1.503	50	20	DDGD	
Cc1oc(-c2cnn(C)c2)nc1C(=O)NN[C@@H](C)C(F)(F)F	862312061	ZOHATOVWBRLMFQ-ZETCQYMHSA-N	317.271	1.569	50	20	DDGD	
CS(=O)(=O)c1ccc(NNC(=O)C2(F)CCOCC2)cc1	866869618	LGMIYYOGCZWNHG-UHFFFAOYSA-N	316.354	1.052	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2C[C@@]23CCOC3)c1	763728397	NWSAUDFRXZEMLG-SWLSCSKDSA-N	305.403	1.739	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=C2CCCOc3c(Cl)cccc32)N1	863149201	UFRZQTXMZNCHJD-LBPRGKRZSA-N	321.764	1.612	50	20	DDGD	
CCc1noc(C2CCC(=NNC(=O)[C@@H]3CCC(=O)N3)CC2)n1	863147521	HVMZLZRPXZXFBP-UMJHXOGRSA-N	319.365	1.040	50	20	DDGD	
CCN(CC(=O)N(C)C)/C(=C\C#N)c1cccc([N+](=O)[O-])c1	764185247	CQIXDIOAVRFORF-ZSOIEALJSA-N	302.334	1.869	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)NCC(F)(F)F)c1cccc(O)c1	935803479	ZTOIAVJRQOJEPX-SSDOTTSWSA-N	305.256	1.388	50	20	DDGD	
CC[C@H](C#N)Oc1cccc(CNCc2ccc(B(O)O)cc2)c1	863888785	WBFHVZGJXJODFL-QGZVFWFLSA-N	324.189	1.337	50	20	DDGD	
COc1cccc(OC)c1S(=O)(=O)NCC(Cl)Cl	867469443	CZYWVPVXOIMGCB-UHFFFAOYSA-N	314.190	1.786	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=S)NC1CC1	761190754	XHCHFHQSGUILFV-UHFFFAOYSA-N	311.432	1.445	50	20	DDGD	
CCC(=NNC(=O)c1cn[nH]c1)c1ccc2c(c1)OCCO2	863156408	ZORQFQQSXIEVNS-UHFFFAOYSA-N	300.318	1.725	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1cccc(C2CCC2)c1	869905227	KZEQXWMLHIYPHE-UHFFFAOYSA-N	306.362	1.378	50	20	DDGD	
O=C(NNC(=O)C1(c2cccc(F)c2)CCCC1)c1cn[nH]c1	862473716	ZLIUENKTIKVYQD-UHFFFAOYSA-N	316.336	1.822	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H](C)c2ccccc2F)n[nH]1	869012513	UKFSZLRLOWHQBS-SNVBAGLBSA-N	304.325	1.351	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1cnc2[nH]cnc2c1	763270024	DLUVYEIIIRJXNY-UHFFFAOYSA-N	313.292	1.101	50	20	DDGD	
C[C@H](NNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(F)(F)F	862307892	SCZSQGGQQQPOPL-UWVGGRQHSA-N	315.295	1.611	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1CCc2ccc(OC)cc21	761625305	NYKVYVFREJBSGH-CYBMUJFWSA-N	305.378	1.856	50	20	DDGD	
O=C(NN=C1CCN2CCC[C@H]12)[C@H]1COc2ccccc2O1	765555938	UBFQEONLWVPZBC-IUODEOHRSA-N	301.346	1.167	50	20	DDGD	
COCCOCC(=O)NN=C1CCCc2cc(C#N)ccc21	872401939	OHQVRJDTPDAOTG-UHFFFAOYSA-N	301.346	1.378	50	20	DDGD	
COc1ccc(C=NNC(=O)c2ccnc(N(C)C)c2)s1	763174684	ADIZSFSPJYHZJW-UHFFFAOYSA-N	304.375	1.982	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@H]1C=NNC(=O)c1cccnc1	872325108	CTDDKIUNQGJNAK-GXTWGEPZSA-N	313.361	1.791	50	20	DDGD	
COCCOCc1cccc(NC(=O)NN(C)CCOC)c1	878311352	JDKGVDUMCOQYEZ-UHFFFAOYSA-N	311.382	1.464	50	20	DDGD	
C#CCOc1cccc(Cl)c1C=NNC(=O)N1CCOCC1	777434711	ZSHNXQRBKYRISU-UHFFFAOYSA-N	321.764	1.728	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1NC(=O)NNC(=O)c1ccccn1	1116561789	LOSVVLNFKHIZDG-UHFFFAOYSA-N	316.365	1.579	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cc2cccc(OC)c2o1	779822300	BWSFGYBFVITGEI-UHFFFAOYSA-N	305.290	1.248	50	20	DDGD	
OCC1(CO)CCN(C[C@H](CBr)C2CC2)CC1	879972845	QRYLAORZTLQZSJ-LBPRGKRZSA-N	306.244	1.474	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCSCc1ccccc1F	875013996	GEGYHPULHQLMHB-UHFFFAOYSA-N	315.370	1.971	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc(C(=O)O)cc1Cl	872401282	NPUWCBZGGPDXIG-UHFFFAOYSA-N	314.725	1.151	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2C[C@H]3CC=CC[C@H]3C2)cc1	879528987	FRIGSASPTSCAGB-IYBDPMFKSA-N	313.401	1.654	50	20	DDGD	
COc1ccc(CNC(=O)NN=c2cc[nH]c(C)c2)c(OC)c1	875123377	IUUPEDXBDOHVMH-UHFFFAOYSA-N	316.361	1.655	50	20	DDGD	
CC(=O)N1CCC(=NNC(=O)c2cnccn2)c2ccccc2C1	778537914	IEKKUBIIWHZXMA-UHFFFAOYSA-N	323.356	1.363	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccccc1OCC(C)C	872400594	VQFOMYOIDHQKRB-UHFFFAOYSA-N	308.378	1.835	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)C(C)(C)C#N)cc1	874951684	QMCKPNANWJEBAH-UHFFFAOYSA-N	305.407	1.620	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CN1CCCCCC1=O	772860098	MCWGQHXVAOYIML-UHFFFAOYSA-N	305.382	1.446	50	20	DDGD	
Cn1ccnc(NNC(=O)[C@@H]2CCc3c(Cl)cccc32)c1=O	776232349	UPVJHNIUZYEFQT-LLVKDONJSA-N	318.764	1.607	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)C1CCOCC1	883068260	NHQCWXULGOGJFF-OCCSQVGLSA-N	312.410	1.546	50	20	DDGD	
Cn1nc2c(c1NC(=O)NNC(=O)CC(C)(C)C)CCCC2	880620798	MWZDZNAUKFFYBQ-UHFFFAOYSA-N	307.398	1.888	50	20	DDGD	
CC(C)CCn1nccc1NC(=O)NNC(=O)c1cccnc1	779469264	LAXCILHGQXINPG-UHFFFAOYSA-N	316.365	1.791	50	20	DDGD	
CO[C@@H](CC(=O)NNC(=O)c1ccc(C)c(O)c1)C(F)(F)F	882051009	FCFBFJIOKUJUJI-JTQLQIEISA-N	320.267	1.429	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CC[C@@]2(C1)C(=O)Nc1ccccc12	779194727	YLSGRFBEJYKXSJ-LUJNMSEFSA-N	311.341	1.553	50	20	DDGD	
C[C@H]1CC[C@H](C(=O)OCC(=O)NNC(=O)c2cccs2)C1	776424604	PFPNJVWQCAFGPI-UWVGGRQHSA-N	310.375	1.489	50	20	DDGD	
CC(C)Oc1cncc(C(=O)NNC(=O)C2CCOCC2)c1	883066145	MGERTOIFRXKMTG-UHFFFAOYSA-N	307.350	1.056	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC(C(=O)NCC(C)C)CC1	884925401	YXEFSLQXQZVLBQ-KAMYIIQDSA-N	307.394	1.441	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)[C@H]1CCC=CO1	787428124	JJRCQHQFARRNMN-GFCCVEGCSA-N	309.753	1.863	50	20	DDGD	
COc1ccc(Cl)cc1C(=O)NNC(=O)CN1C[C@H]2C[C@H]2C1	886340804	LOXLNJXYVDPGSB-AOOOYVTPSA-N	323.780	1.061	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2CO[C@@H](C)C2)cc1	784075530	TXKYCPBQVATTTF-AAEUAGOBSA-N	306.362	1.200	50	20	DDGD	
Cc1nc(CNS(=O)(=O)CBr)ccc1[C@H](C)O	784346589	OLQZDIWXIZROIN-QMMMGPOBSA-N	323.212	1.215	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)CC(F)(F)F)ccc1F	782093272	MUUMYNSGWLMRNG-UHFFFAOYSA-N	309.219	1.939	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NC[C@H](C)N1CCN(C)CC1	1123885646	HZVICQPTZPVXQI-ZDUSSCGKSA-N	323.416	1.396	50	20	DDGD	
CC(C)CNC(=O)NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/C1CC1	786678507	DNUGZEGSWXOREE-HAAVITCDSA-N	307.350	1.260	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)NCCN1CCNC1=O	891075766	REHDZXXZYIJQTQ-UHFFFAOYSA-N	319.409	1.770	50	20	DDGD	
CCc1ccc(-c2cc(C(=O)NNC(=O)C(F)F)n[nH]2)cc1	787482035	YQFMQTALWHMJLP-UHFFFAOYSA-N	308.288	1.665	50	20	DDGD	
CCCCS(=O)(=O)CC(=O)NNc1ncccc1Cl	894960751	GUSLVFGJGWZBMC-UHFFFAOYSA-N	305.787	1.393	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)c1cccnc1O	787434762	UTJFEGUUVGBGNA-UHFFFAOYSA-N	320.736	1.585	50	20	DDGD	
CC(C)(O)CCC(=O)NNC(=O)c1cccc2ncccc12	787331767	GBWKXWUATDCSTL-UHFFFAOYSA-N	301.346	1.547	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)cc1)c1coc(C)n1	788980412	HETKRDYJOZJJFR-UHFFFAOYSA-N	300.318	1.770	50	20	DDGD	
CN(C)CCc1ccc(C(=O)NNC(=S)NC(C)(C)C)cc1	899997250	MTTVCUSZCAJLEG-UHFFFAOYSA-N	322.478	1.698	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cn(C)nc1-c1ccoc1	789909986	WLCHYLCMGQXWNM-UHFFFAOYSA-N	305.338	1.424	50	20	DDGD	
COCC(=NNC(=O)CNC(=O)c1cccnc1)C1CCCC1	780232906	DCOWXWWTMVPGLI-UHFFFAOYSA-N	318.377	1.120	50	20	DDGD	
COC(C)(C)CC(=O)NNC(=O)c1c(C)nc2ccccn12	784761435	FQBIMCGLTFUUHO-UHFFFAOYSA-N	304.350	1.219	50	20	DDGD	
Cn1c(=NNC(=O)c2cccc(O)n2)sc2ccccc21	788275179	VNFDDYCGUPMVQE-UHFFFAOYSA-N	300.343	1.586	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2c(F)cc(F)cc2F)C(=O)O1	896384407	ZELBRMGDKBMIJG-CDUCUWFYSA-N	303.240	1.434	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)c2cc(C)nc3ccccc23)cn1	799009122	LTYBIGSMZJEHNC-UHFFFAOYSA-N	323.356	1.834	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNc1nccnc1Cl	792333564	NLIWPFORYMRXKI-UHFFFAOYSA-N	307.741	1.989	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(CC(=O)OC)cc2)no1	898273334	WFOAJRVEXQIVGT-UHFFFAOYSA-N	303.318	1.709	50	20	DDGD	
CO[C@H]1CCN(CC(=O)NNC(=O)c2cccs2)[C@@H](C)C1	799343868	OYNNNHGCKZSNFM-QWRGUYRKSA-N	311.407	1.008	50	20	DDGD	
CC(C)n1cnc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1	798819969	PUZSNBCZSFJHIN-UHFFFAOYSA-N	317.305	1.447	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1ccsc1Cl	790165592	PNTWBMPONZCEGQ-UHFFFAOYSA-N	311.750	1.875	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)Nc1cccc(NC(=O)NN(C)C)c1	791277662	RSURMPNVJOVXGU-QWHCGFSZSA-N	306.366	1.648	50	20	DDGD	
N#C/C(=C\c1ccc2c(c1)NC(=O)CO2)C(=O)C1CCOCC1	794952871	IJTCVCXVKIULJQ-NTUHNPAUSA-N	312.325	1.920	50	20	DDGD	
COc1cccc(C2=NO[C@@H](C(=O)NNC(=O)C(C)(C)C)C2)c1	792059229	ZHUHTNWTZLBWRT-CYBMUJFWSA-N	319.361	1.382	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cn(CCC(C)C)nn2)n1	794088382	ZJSTYUWDGAOYGZ-UHFFFAOYSA-N	316.365	1.102	50	20	DDGD	
O=C(NC[C@H]1CC1(Cl)Cl)NNc1nc2ccccn2n1	790117419	IPQWSYSDQWASSG-SSDOTTSWSA-N	315.164	1.549	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(C)nc(C(F)(F)F)n1	798305438	OZTMJWBFLGBVEO-UHFFFAOYSA-N	319.312	1.099	50	20	DDGD	
COCCOc1ncccc1C(=O)NCCSSC	791150461	MNPKYTFFGFGXCB-UHFFFAOYSA-N	302.421	1.848	50	20	DDGD	
CCc1cc(C(=O)NNc2nccc(N(CC)CC)n2)nn1C	1319992014	KFKHLYMCWIGKFC-UHFFFAOYSA-N	317.397	1.376	50	20	DDGD	
CC(C)COc1ncccc1C(=O)NNC(=S)NC(C)C	1318308041	UJTXPLVEQDHSQM-UHFFFAOYSA-N	310.423	1.634	50	20	DDGD	
NC(=O)c1ccc(C=NNC(=O)c2n[nH]c3c2CCCC3)cc1	1317903506	KBNMRMGUJPMCCP-UHFFFAOYSA-N	311.345	1.151	50	20	DDGD	
NC(=O)CC1CCN(C[C@H](CBr)C2CC2)CC1	701847529	DTGLABDPLWCEFK-LBPRGKRZSA-N	303.244	1.995	50	20	DDGD	
CN(C)c1ncccc1C=NNC(=O)Cc1ccccc1F	1324051993	WMFJABKMCUYUFS-UHFFFAOYSA-N	300.337	1.980	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1cn(C)nc1-c1cnn(C)c1	1324390271	YRLHANDNCOGFEZ-KTKRTIGZSA-N	300.322	1.203	50	20	DDGD	
CN(C)Cc1cc(C(=O)NNc2nccnc2C2CCC2)no1	1326532207	RFEKNJBLABEJSK-UHFFFAOYSA-N	316.365	1.551	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Nc2cnn(C(C)C)c2)cc1	1327064667	BZJFWTGJZMOINO-UHFFFAOYSA-N	317.349	1.939	50	20	DDGD	
CC(C)(Oc1ccccc1)C(=O)NNC(=O)NCc1ccco1	1323205130	XBLWPRPBDSLULE-UHFFFAOYSA-N	317.345	1.968	50	20	DDGD	
O=C(NNC(=O)c1cncn1-c1ccccc1)c1cccc(O)n1	1321388106	GTIWRVKLSUODSM-UHFFFAOYSA-N	323.312	1.048	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NC/C=C\C2CC2)c1	1326768362	LELYMBFGOXJUBD-HYXAFXHYSA-N	303.362	1.670	50	20	DDGD	
O=C(N1CC[C@@H](B(O)O)C1)C(F)(F)c1ccc(Cl)cc1	1331827171	OOXUNCMVMRBLIH-SECBINFHSA-N	303.501	1.507	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@H]2CCCC[C@@H]2C1	1261454839	SPLKVPLDVOPNEX-DGAVXFQQSA-N	309.410	1.664	50	20	DDGD	
CCn1cc(Br)c(C(=O)NNC(=O)C(C)(C)C)n1	1263708690	USLXDHDISWNPSP-UHFFFAOYSA-N	317.187	1.473	50	20	DDGD	
CCC(=O)NC1CCN(C(=O)[C@@]2(C)C[C@@H]2Br)CC1	1347346182	SQDZIQTUSCEFDU-GWCFXTLKSA-N	317.227	1.677	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H](C)N2CCN(C)CC2)cc1F	1347102193	LGFWAHZJWWDMLJ-CYBMUJFWSA-N	323.416	1.396	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H](C)Cc2c(C)noc2C)cc[nH]1	1352558462	LGCKZYRBPGJOQF-JTQLQIEISA-N	303.366	1.674	50	20	DDGD	
C[C@H]1CCN(CCNC(=O)NNC(=O)c2ccc(Cl)cc2)C1	1352096688	HIQDUHOYVSNJQG-NSHDSACASA-N	324.812	1.626	50	20	DDGD	
COCCCOc1cccc(C(=O)NNc2ccn(C)n2)c1C	1352111450	GOCZPCPIPJTAMX-UHFFFAOYSA-N	318.377	1.901	50	20	DDGD	
O=C(NN=C1CCN(Cc2ccccn2)CC1)C1CCOCC1	1353091492	CHXZBPRMZMNBFZ-UHFFFAOYSA-N	316.405	1.576	50	20	DDGD	
Cc1cc(CNC(=O)NNc2cccc(C(=O)O)c2F)n(C)n1	1600199999	DDJAUHSSFHPJIE-UHFFFAOYSA-N	321.312	1.392	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1csc(-c2nn[nH]n2)c1	1606862160	VHSQRFVIAXKIPK-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
Cc1c(NNC(=O)NC[C@H]2CC[C@H](C)O2)cccc1C(=O)O	1600050823	JVWACSOMBSODQE-GXSJLCMTSA-N	307.350	1.887	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNc2cccc(C(=O)O)c2)nc1	1609624099	OKCOUGNBMUAAAV-UHFFFAOYSA-N	314.301	1.495	50	20	DDGD	
Cc1c(NNC(=O)CNC(=O)OC(C)(C)C)cccc1C(=O)O	1600052214	DYUSCWRKJCFCDP-UHFFFAOYSA-N	323.349	1.661	50	20	DDGD	
O=C(NNC(=O)C(=O)O)N[C@H]1CCC[C@H](c2ccccc2)CC1	1601552745	GQNFZHUBJRDSQI-STQMWFEESA-N	319.361	1.518	50	20	DDGD	
CCC(CC)(C(=O)O)C(=O)NNc1cc(Cl)nc(N)n1	1603525986	OOHPTOHCYVSBKI-UHFFFAOYSA-N	301.734	1.046	50	20	DDGD	
O=C(NNC(=O)C12CCC(C(=O)O)(CC1)C2)Nc1ccccc1	1608477353	HCWBVSHAWIHJDB-UHFFFAOYSA-N	317.345	1.874	50	20	DDGD	
Cn1c(NNC(=O)c2ccc(C(=O)O)o2)nc2ccccc21	1600922014	RBTGACKEVAKZQT-UHFFFAOYSA-N	300.274	1.621	50	20	DDGD	
COc1ccc(NNC(=O)c2c[nH]c(C(=O)O)c2)c([N+](=O)[O-])c1	1610342710	OLRGSKKPYFERBZ-UHFFFAOYSA-N	320.261	1.387	50	20	DDGD	
O=C(NN=Cc1ccc(F)c(F)c1)[C@@H]1CN2CCC[C@H]2CO1	1549316870	UNRLCWVWQQIKHC-FZMZJTMJSA-N	309.316	1.278	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@@H]1CN[C@@H]1CCC(=O)N(C)[C@@H]1c1ccnn1C	1550667842	ASGIYVHABUQDNW-WXSGPUQCSA-N	310.829	1.545	50	20	DDGD	
CC[C@H](C)C[C@H](N)C(=O)NNC(=O)c1c(C)nc2ccccn12	1576984288	WWVPKDZLONTLLQ-JQWIXIFHSA-N	317.393	1.167	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCCCCN)cc1[N+](=O)[O-]	1578252760	OBDBEUWGPMQARO-UHFFFAOYSA-N	322.365	1.437	50	20	DDGD	
C[C@](N)(C(=O)NNc1cc(O)nc2ncccc12)c1ccccc1	1576086261	QGHFFOKOPWNKHU-QGZVFWFLSA-N	323.356	1.653	50	20	DDGD	
CC(C)C[C@@H](N)C(=O)NNc1cccc(Br)n1	1575626652	MMCADUASMJBEGE-MRVPVSSYSA-N	301.188	1.661	50	20	DDGD	
Cc1cc(CN)oc1C(=O)NNc1cccc(S(C)(=O)=O)c1	1579597765	HFRQXLINTKUQIK-UHFFFAOYSA-N	323.374	1.207	50	20	DDGD	
COc1cccc2c1CC[C@]2(N)C(=O)NN(C)c1ccccc1	1579291326	IBZJCBCNYBPRNR-GOSISDBHSA-N	311.385	1.963	50	20	DDGD	
CC(C)(C(=O)O)[C@@H]1CCCN(S(=O)(=O)CCCCl)C1	1589616760	GLAKDWLSURJTOW-SNVBAGLBSA-N	311.831	1.768	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1ccccc1-c1nn[nH]n1	1588775858	LQVYIYRERITHJL-PWSUYJOCSA-N	314.349	1.132	50	20	DDGD	
CCONC(=O)NNc1cc(C(=O)O)ccc1Br	1596968488	OXYHNZFSMXQNCH-UHFFFAOYSA-N	318.127	1.725	50	20	DDGD	
O=C(NN=Cc1ccc2oc(C(=O)O)cc2c1)c1ncon1	1776106322	ZXIHUKTUWKFUHD-UHFFFAOYSA-N	300.230	1.278	50	20	DDGD	
CCCCNC(=O)NN=Cc1ccn([C@H]2C[C@H](C(=O)O)C2)n1	1776039129	OZALPYYDMWXVMJ-UMSPYCQHSA-N	307.354	1.352	50	20	DDGD	
O=C(O)c1cccc2c(C=NNC(=O)[C@@H]3CCCCO3)c[nH]c12	1776077665	OXUTYOKEELIDDA-ZDUSSCGKSA-N	315.329	1.885	50	20	DDGD	
CC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl	1796803645	CCHFQTCVYBVNDL-LSCVPOLPSA-N	318.776	1.528	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc(N)c([N+](=O)[O-])c2)n1	14511756	PUMSKBRNJGVMCD-UHFFFAOYSA-N	302.294	1.341	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cnn(-c3ccccc3)n2)n1	14512684	JIYSXZNEIHLDRM-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccncc1	15273363	DHUOABVAWDVTGE-UHFFFAOYSA-N	320.692	1.718	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNC(=O)c1cccc(N(C)C)c1	17251644	LGPJYSZKGPPQKS-UHFFFAOYSA-N	316.361	1.361	50	20	DDGD	
N#Cc1cccc(NNC(=O)N[C@@H]2CCN(c3ccccn3)C2)c1	153319363	DVDWKBBOWCYKFG-OAHLLOKOSA-N	322.372	1.858	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1ccccc1Cl	156112888	XHCSNOYYGJHRHX-UHFFFAOYSA-N	311.769	1.406	50	20	DDGD	
CC(C)(C)S(=O)(=O)CC(=O)NNc1ccc(F)cc1F	159439982	RKMHKGCWOVXTCR-UHFFFAOYSA-N	306.334	1.621	50	20	DDGD	
O=C(NNc1cnccn1)c1ccc(Br)c(O)c1	159130351	QBWPGHIMXHADIG-UHFFFAOYSA-N	309.123	1.702	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2O)cc1C	7415937	DBRXWBWRPWSQJS-UHFFFAOYSA-N	320.370	1.632	50	20	DDGD	
NS(=O)(=O)Cc1cccc(C(=O)NNc2ccccc2)c1	171861570	MENLUCICKCZYKX-UHFFFAOYSA-N	305.359	1.232	50	20	DDGD	
CCOCCC(=O)NNC(=O)c1cccc(OC(F)F)c1	103041015	OBHAOMFRNICXDX-UHFFFAOYSA-N	302.277	1.476	50	20	DDGD	
CC(C)N(C)CCNC(=O)NNC(=O)c1cccc(Cl)c1	171248880	PWHVBXMWMAMBIM-UHFFFAOYSA-N	312.801	1.624	50	20	DDGD	
Cc1nn(C)cc1[C@H](C)NC(=O)NNc1cncc(Cl)n1	172598397	HGGQWLFPVFSYCO-ZETCQYMHSA-N	309.761	1.559	50	20	DDGD	
Cc1nccc(C(=O)NNC(=O)c2cccc(OC(F)F)c2)n1	171207557	JABUBHPKZMDNBN-UHFFFAOYSA-N	322.271	1.461	50	20	DDGD	
CNC(=O)c1ccc(CN(C)C(=O)NNC(=O)C(C)(C)C)cc1	109150297	CYMNRVQIBKXIKV-UHFFFAOYSA-N	320.393	1.265	50	20	DDGD	
CC(C)CN1CCC(NC(=O)NNC(=O)CC(C)(C)C)CC1	103179549	JMKDJZFSLDTGGJ-UHFFFAOYSA-N	312.458	1.873	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2cccc(CN(C)C)c2)nn1	106259446	FXEZIGBVFPRVMZ-UHFFFAOYSA-N	314.393	1.673	50	20	DDGD	
CCN1CCCC[C@H]1CNC(=O)NNC(=O)c1ccccc1	111444007	XEFQHUHNCHEMJA-AWEZNQCLSA-N	304.394	1.505	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@H]2C[C@H]2C2CC2)cc1	175527444	DSOWSTOBQQKPSJ-KBPBESRZSA-N	302.378	1.951	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cc2noc3ccccc23)cc1	61473748	HZRZZEXANIUUIR-UHFFFAOYSA-N	320.308	1.703	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1scnc1C(C)(C)C	176442638	KNRBYOGDJQQCFH-UHFFFAOYSA-N	306.391	1.854	50	20	DDGD	
CCCSCC(=O)NNC(=O)c1cc(Cl)ccc1O	69644195	QXSARBFKSSSOHV-UHFFFAOYSA-N	302.783	1.950	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)COCC(F)(F)F	67433129	FKHAUHFJFPUCRE-UHFFFAOYSA-N	306.240	1.035	50	20	DDGD	
CNc1snc(C)c1C(=O)NNC(=O)c1ccccc1OC	67439152	RZSOONYZLWJVLS-UHFFFAOYSA-N	320.374	1.577	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(N)nc(Cl)c2)c(O)c1	170893463	QWZYEWBRDJTQGR-UHFFFAOYSA-N	320.736	1.406	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1nnc(C(F)(F)F)s1	179692362	RZTPEJCYYCUQHZ-UHFFFAOYSA-N	311.289	1.756	50	20	DDGD	
CN1CCC(=O)Nc2cc(C(=O)NNc3ncccn3)ccc21	173846555	REFJIXZJPFJVKS-UHFFFAOYSA-N	312.333	1.012	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)NC1CCCC1	65919169	GGKSBOZUEBXKGO-UHFFFAOYSA-N	300.362	1.914	50	20	DDGD	
COCc1ccc(C(=O)NNC(=O)Cc2ccccc2F)cc1	66784537	MIRQWOWUTGDKNV-UHFFFAOYSA-N	316.332	1.976	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCCOc2ccccc2)cc1	60995812	PLEJDRLGXWMYJK-UHFFFAOYSA-N	324.340	1.581	50	20	DDGD	
CC(C)[C@@H](C)CC(=O)NNC(=O)COc1ccc(C#N)cc1	67899942	XYHFNLQNWFKIDT-LBPRGKRZSA-N	303.362	1.767	50	20	DDGD	
CCOCCCNC(=O)NNC(=O)CCCc1ccccc1	67310581	PACCOSGDTWTMIY-UHFFFAOYSA-N	307.394	1.766	50	20	DDGD	
Cc1nc(Cl)sc1C(=O)NNC(=O)Cc1ccncc1	177937832	YWQMQJPVQOCSTQ-UHFFFAOYSA-N	310.766	1.504	50	20	DDGD	
C[C@@H](Oc1ccccc1)C(=O)NNC(=O)NCc1ccco1	122862418	WOFVMRGKQULIEG-LLVKDONJSA-N	303.318	1.578	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2cccc(OC(F)F)c2)n[nH]1	121052175	RSWPTUOTENJCKC-UHFFFAOYSA-N	324.287	1.323	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)NC1Cc2ccccc2C1	184937447	HGOMGOOLMNHBQM-UHFFFAOYSA-N	311.341	1.504	50	20	DDGD	
O=C(CCNC(=O)c1ccsc1)NNc1ccnc(F)c1	182493227	CCIOKEAZNDGBSC-UHFFFAOYSA-N	308.338	1.545	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(-c2cc[nH]n2)cc1	185270782	DXOHFXNHKGWTRT-UHFFFAOYSA-N	303.322	1.266	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)c1ccc2ccccc2n1)N(C)C	129738160	VZJWEJVAPTUMPM-HNNXBMFYSA-N	314.389	1.582	50	20	DDGD	
O=C(NNC(=O)c1ccnc(-n2cccn2)c1)c1ccccc1	129868101	LRFBIHMTRYOUBY-UHFFFAOYSA-N	307.313	1.342	50	20	DDGD	
CC1CCN(c2cccc(NC(=O)NNC(=O)CO)c2)CC1	185959280	VFVPTFMOPVLOBG-UHFFFAOYSA-N	306.366	1.068	50	20	DDGD	
CC(C)(C)c1nc(CC(=O)NNC(=O)Cc2cc[nH]n2)cs1	186105215	RNQIXUWCPLFUER-UHFFFAOYSA-N	321.406	1.096	50	20	DDGD	
Cc1cc(NNC(=O)CNC(=O)CC2CCCC2)nc(C)n1	128842211	FGYINTFLBYEMNA-UHFFFAOYSA-N	305.382	1.233	50	20	DDGD	
COc1ccc(F)cc1CC(=O)NNc1nccnc1OC	186054099	BMRQNWLEAARCIU-UHFFFAOYSA-N	306.297	1.319	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)Cc2ccccc2F)nc1	184270642	CUHJYXBWLCCISQ-UHFFFAOYSA-N	302.309	1.925	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NNC(=O)C(C)(C)C)cc(C#N)n1C	130852469	QKZQVQMRMJCERL-SDQBBNPISA-N	313.361	1.306	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Nc1ccccn1	48348719	OHHYIYYNDKSRLW-JTQLQIEISA-N	318.308	1.841	50	20	DDGD	
O=C(NNC(=O)c1cc(F)c(F)c(F)c1F)c1ccncc1	192742606	NEZNGPUTIICRPH-UHFFFAOYSA-N	313.210	1.713	50	20	DDGD	
N#Cc1ccc(CC(=O)NNC(=O)Cc2ccc(F)cc2)cc1	194835866	ZEANJUARLABXHJ-UHFFFAOYSA-N	311.316	1.630	50	20	DDGD	
O=C(Cc1cc(F)c(F)cc1F)NNC(=O)c1ccncc1	133463321	FLGFBQWFWWURQX-UHFFFAOYSA-N	309.247	1.503	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3cn[nH]c3)[nH]n2)cc1	193624082	VNSOXNGXRPEEQJ-UHFFFAOYSA-N	310.317	1.183	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cc(F)cc(F)c2)nc(C)n1	130446810	GURDWGXBMRHWBB-UHFFFAOYSA-N	321.287	1.453	50	20	DDGD	
C=C[C@@](C)(CC)C(=O)NNC(=O)COc1ccc(C#N)cc1	134907055	FFWKUEKTPSXKGR-INIZCTEOSA-N	301.346	1.687	50	20	DDGD	
O=C(NCc1ccccc1OC(F)F)NNc1ncccn1	45412297	ZMBJIENECJTOAL-UHFFFAOYSA-N	309.276	1.904	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2cccc3ccn(C)c23)c1	190609083	MNCRVJVKCJLGFE-UHFFFAOYSA-N	323.356	1.964	50	20	DDGD	
CC(C)c1cnc(NC(=O)NNC(=O)c2cnn(C)c2)s1	192390926	HAWSCJWOTUNHAT-UHFFFAOYSA-N	308.367	1.467	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@H]1COc2ccc(F)cc2C1	90068926	NORLHXTWRMOJSX-SNVBAGLBSA-N	310.325	1.933	50	20	DDGD	
CCC(CC)[C@@H](O)CNC(=O)NNC(=O)c1ccccc1OC	264855453	NWQMQHBGMUZIRG-ZDUSSCGKSA-N	323.393	1.436	50	20	DDGD	
CCCn1nc(C)c(C(=O)NNC(=O)Cc2cccnc2)c1C	268375121	SOXCQSZJLDFBGJ-UHFFFAOYSA-N	315.377	1.309	50	20	DDGD	
Cc1ccc(Br)nc1C(=O)NNC(=O)NC(C)C	276212886	LJJVGWKGTLMIEQ-UHFFFAOYSA-N	315.171	1.505	50	20	DDGD	
O=C(NNc1nnc(C2CC2)s1)c1ccnc2[nH]cnc12	273642329	UZHFQCJAOTYTSG-UHFFFAOYSA-N	301.335	1.444	50	20	DDGD	
COc1ccc2c(c1)[C@@H](C(=O)NNc1ncnc3nc[nH]c13)CC2	278170752	PBJGRFIETSSRAO-NSHDSACASA-N	324.344	1.535	50	20	DDGD	
Cc1nc(CC(C)C)c(NC(=O)C(=O)NNC(=O)C2CC2)s1	274013949	CQISPFZFNHOXSZ-UHFFFAOYSA-N	324.406	1.146	50	20	DDGD	
Cn1cc([C@@H](O)CNC(=O)[C@@H](Br)C(C)(C)C)cn1	274366180	JRCUBANMOPGESP-VHSXEESVSA-N	318.215	1.379	50	20	DDGD	
C=CC[C@H](C)NC(=O)NNC(=O)CSc1ccccc1O	270700442	XYJRPKLUNHPMEK-JTQLQIEISA-N	309.391	1.779	50	20	DDGD	
C#C[C@@H](C)NC(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1	274831156	RVRZWUZBXNSTMD-LLVKDONJSA-N	319.361	1.448	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(C#N)cs1	271353764	CZBOQEYVWMKGSX-UHFFFAOYSA-N	300.434	1.092	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C2CCN(C3CC3)CC2)n1	279857141	UPMDYKFXQARUBI-UHFFFAOYSA-N	302.378	1.025	50	20	DDGD	
C[C@H]1C(=O)Nc2cc(C(=O)N3CC=C(C#N)CC3)ccc2N1C	272642024	DRBJQOVXNHHPEG-NSHDSACASA-N	310.357	1.759	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Cc1c(C)n[nH]c1C)c1ccccc1	276482389	GFHOORMJHDFDHX-CQSZACIVSA-N	314.389	1.910	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCC(=O)N1CCOCC1	282446830	OOALPGRADUWJQS-UHFFFAOYSA-N	320.393	1.042	50	20	DDGD	
COc1cccc(NNC(=O)C(F)(F)C2(O)CCCC2)n1	285913745	WDUKJITWIFVWLK-UHFFFAOYSA-N	301.293	1.474	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)C2CC2)cc1C	281341580	UUYIWWACUDDYEB-NSHDSACASA-N	303.362	1.435	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCOc2cc(OC)ccc2C1	374758875	LXWSXPNXOGWHOK-ACCUITESSA-N	302.330	1.860	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@]2(C)CCN(C(C)=O)C2)c1	371583255	YIRAGKMSSBONRH-INIZCTEOSA-N	319.361	1.175	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNc1ccc([N+](=O)[O-])cc1C	288668823	MFMRSADFCQXJIZ-UHFFFAOYSA-N	310.310	1.481	50	20	DDGD	
Cn1/c(=N\NC(=O)C[C@H]2CCCC(=O)N2)sc2ccccc21	288247091	XNZJCBNQFOOGEI-FGDDNGJNSA-N	318.402	1.231	50	20	DDGD	
Cn1nncc1CNC(=O)NNc1ccc(OC(F)F)cc1	288909416	VPQZXRQVGQIZIN-UHFFFAOYSA-N	312.280	1.243	50	20	DDGD	
O=C(NNc1cccnn1)N[C@H]1CCN(c2ccccc2F)C1	293503931	SRACHTYEHVBKKK-NSHDSACASA-N	316.340	1.521	50	20	DDGD	
CC(=O)NCc1ccc(-c2csc(NNC(N)=O)n2)cc1	800720289	GPNMGGLXFRZCHW-UHFFFAOYSA-N	305.363	1.441	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNC(=O)[C@@H]1CCCO1)c1cccnc1	292816789	AMXLGDGJDZAEMZ-KGLIPLIRSA-N	320.393	1.331	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)nc1O	806365138	OMNIPRQGLIXCCB-SDDRHHMPSA-N	305.382	1.935	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(O)nc2c(F)cc(C)cc12	804124409	PHFLUFCJTAOWJJ-UHFFFAOYSA-N	307.281	1.731	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(-n2ccnc2)nn1)c1ccccn1	804895727	NFJDBTIAFNAJTA-LLVKDONJSA-N	324.348	1.445	50	20	DDGD	
CC[S@](=O)CC(=O)NNc1ccccc1OC(F)(F)F	295697542	IXMODZGLPHLVHB-FQEVSTJZSA-N	310.297	1.797	50	20	DDGD	
CCOc1ccc(CCC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	295367814	JTXPMNTUAZEARJ-HNNXBMFYSA-N	320.389	1.734	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	803395203	DRIBFQYOTMXKNT-AWEZNQCLSA-N	304.306	1.508	50	20	DDGD	
CCCC[C@@H](C)C(=O)OCC(=O)NNC(=O)c1cccs1	800278544	WVNFBQCSDWBDBP-SNVBAGLBSA-N	312.391	1.879	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)[C@@H]3CC3(F)F)[nH]n2)cc1	294368999	GRSXYHKLSHTSNV-JTQLQIEISA-N	320.299	1.801	50	20	DDGD	
Cc1ccccc1-n1cc(/C=C(\C#N)S(=O)(=O)N(C)C)nn1	806573186	XPDFNLIIRNLHEU-MDWZMJQESA-N	317.374	1.332	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cnc(C)cn2)cc1	802051306	QGAXYGCSZYQTQO-UHFFFAOYSA-N	301.306	1.260	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)CSC1CC1	294483455	VTHXTIKUJCUEJM-UHFFFAOYSA-N	324.402	1.507	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@H]1CCCN1C(=O)C(F)(F)F	806785169	ICGLIEWADQFFJY-MRVPVSSYSA-N	323.315	1.123	50	20	DDGD	
Cc1cc(C)cc(CCC(=O)NNC(=O)N=c2cc[nH]cc2)c1	802032975	MCLBHADQVLOVHH-UHFFFAOYSA-N	312.373	1.906	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNc2ncccc2F)cn1C	806347339	KOHQISZJEXFMGJ-UHFFFAOYSA-N	307.285	1.494	50	20	DDGD	
CC(C)Cc1cc(C(=O)NNc2ncncc2F)cc(O)n1	294087174	QZWKSDRNWPPQMM-UHFFFAOYSA-N	305.313	1.672	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(F)cc3nn[nH]c23)nc1	800546288	GJGIVPMVCCBCTQ-UHFFFAOYSA-N	302.269	1.258	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H]2CCn3c(cnc3C)C2)n1	290168466	XRECAXPFDUKVKL-SNVBAGLBSA-N	320.784	1.649	50	20	DDGD	
COCC1(CCNC(=O)NNc2nc(C)cc(C)n2)CCC1	297865283	UPLVJVSQEZAWRX-UHFFFAOYSA-N	307.398	1.926	50	20	DDGD	
CN(C)c1ccc(C2(C(=O)NNC(=O)CC3CC3)CC2)cc1	294154751	MQWIUSLLVSBXJV-UHFFFAOYSA-N	301.390	1.732	50	20	DDGD	
Cc1cc(CNC(=O)NNc2ccc3c(=O)[nH]ccc3c2)ncn1	807029145	PZSLHXVIFQMLIP-UHFFFAOYSA-N	324.344	1.453	50	20	DDGD	
Cn1nc(NC(=O)NNC(=O)CC(F)(F)F)cc1C1CC1	810278814	MPIOBZQOPPKFLT-UHFFFAOYSA-N	305.260	1.403	50	20	DDGD	
COCCC(COC)=NNC(=O)c1cnn(-c2ccccc2)c1	812225917	RPXNGCKCZJBRGP-UHFFFAOYSA-N	316.361	1.641	50	20	DDGD	
COCc1cc(C=NNC(=O)CSc2ccccc2O)no1	814970606	VYMVNTHSOFRTGS-UHFFFAOYSA-N	321.358	1.769	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)COc2ccc(C#N)cc2)C1	819806415	OWHUPZRXTUYNPX-UHFFFAOYSA-N	315.329	1.382	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)CCc2ccccc2)[nH]1	815186702	GXCMQLJHQIGALD-UHFFFAOYSA-N	315.329	1.195	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2nccnc2C(C)C)[nH]1	816504650	WESJIFNHBPIVHL-UHFFFAOYSA-N	303.322	1.472	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1cc(C2CC2)ccn1	810326238	JHVXCDDWWBQTOX-UHFFFAOYSA-N	300.322	1.457	50	20	DDGD	
O=C(NN=Cc1ccc2ccccc2c1O)C(=O)N1CCCC1	814824973	SIVIIKSZMMWPGZ-UHFFFAOYSA-N	311.341	1.618	50	20	DDGD	
Cc1cc(C)cc(N2CC[C@@H](C(=O)NN(C)C3CC3)C2=O)c1	819646242	PKWQAIAQNMWHMX-HNNXBMFYSA-N	301.390	1.782	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NNC(=O)c1ccnnc1	817693494	PQENMBSAVYEXKV-QWRGUYRKSA-N	302.359	1.411	50	20	DDGD	
CNS(=O)(=O)c1cccc(C(C)=NNC(=O)CC2CC2)c1	814990317	LRGUZHMGTPVHBH-UHFFFAOYSA-N	309.391	1.235	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc2c(c1)CCCC2=O	815114710	ULENZMYIAQZYNZ-UHFFFAOYSA-N	303.362	1.950	50	20	DDGD	
CC(=O)N/C(=C\c1ccccc1)C(=O)NNC(=O)c1ccncc1	725869531	PVFGZYGRHTYCMS-PTNGSMBKSA-N	324.340	1.020	50	20	DDGD	
C[C@H](Oc1ccccc1C(F)(F)F)C(=O)NN(C)[C@@H](C)CO	823959816	QAJHKQMJGVOBSN-UWVGGRQHSA-N	320.311	1.817	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@H]1CCC[C@H]1C1CC1	826963202	MLKJASBAXGJETF-GHYVTOPFSA-N	309.410	1.568	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)CCCc2ccccc2)c(N)n1	825743914	BVRZPYVYTCEWHJ-UHFFFAOYSA-N	313.361	1.151	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CSC[C@@H]1C(=O)NCC(C)C	490784075	WIFPAANHHABPIM-YTRUQHMWSA-N	311.407	1.104	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cnc(C2CCCC2)nc1N	823945667	SARIPJFZVZTTSW-UHFFFAOYSA-N	306.370	1.070	50	20	DDGD	
CC(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2	496190354	QOQOYPZCMKLRHR-GRYCIOLGSA-N	311.382	1.189	50	20	DDGD	
Cc1csc([C@H](C)C(=O)NNC(=O)Cc2ccncc2)n1	829560068	DNCOXKMNTSFAPJ-SNVBAGLBSA-N	304.375	1.340	50	20	DDGD	
O=C(Cc1ccccc1F)NNc1ccc(-c2nn[nH]n2)cc1	826423774	FYHNZKFESJTYKO-UHFFFAOYSA-N	312.308	1.692	50	20	DDGD	
COCc1ccccc1CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	825619642	RQCSTQJWJAESOK-RISCZKNCSA-N	321.377	1.088	50	20	DDGD	
Nc1ccc(C(=O)NN=Cc2cc(-c3nn[nH]n3)cs2)cc1	822907454	NLYYZTDXYQPAMF-UHFFFAOYSA-N	313.346	1.274	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccc(-n2cccn2)c(F)c1	726872095	UKCLXIMIFQTSME-UHFFFAOYSA-N	303.297	1.574	50	20	DDGD	
Cc1ccc2c(CC(=O)NNC(=O)NCC3CC3)c[nH]c2c1	726162699	SFLZJTMDQPINRR-UHFFFAOYSA-N	300.362	1.759	50	20	DDGD	
COc1cccc(CNCc2ccc(B(O)O)cc2F)c1C	585050246	UXNZQJKAUGNNMO-UHFFFAOYSA-N	303.142	1.112	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNC(=O)C(C)(C)c2ccccc2)CCN1C	825776874	NRAJIXDBYSIBIR-TZMCWYRMSA-N	303.406	1.452	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O)C1CC1	822567038	FAMWIWQFLFEECB-LLVKDONJSA-N	322.321	1.433	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCOC[C@]12CCOC2	490972594	KNWTVRKGRLVLTI-RKCSUWQLSA-N	314.341	1.317	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCc1ccccc1F	825534802	SWVRVNWVRXLZFL-PWSUYJOCSA-N	309.341	1.124	50	20	DDGD	
COC(=O)NN=C(C)c1ccc(Cl)c(S(N)(=O)=O)c1	493339565	WRTNJNUHGYXAGR-UHFFFAOYSA-N	305.743	1.067	50	20	DDGD	
Cn1c(=NNC(=O)[C@](C)(C#N)CC(=O)O)sc2ccccc21	821256839	AXVDDTMRCOKKML-AWEZNQCLSA-N	318.358	1.176	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1	585038578	IEENECVQPYUNPP-QAPCUYQASA-N	313.181	1.931	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1	823939319	IYVGYUDSJMNCQZ-UFBFGSQYSA-N	321.204	1.761	50	20	DDGD	
O=C(NNc1ccccc1Cl)c1cc(-c2nn[nH]n2)c[nH]1	826449367	OZWQCVNLCRVYKM-UHFFFAOYSA-N	303.713	1.605	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)c2cccc(C#N)c2)s1	728827937	BFFNVTHCYKREIV-UHFFFAOYSA-N	313.338	1.897	50	20	DDGD	
COc1ncc(/C=C\C(=O)NNc2cnc3ccccc3n2)cn1	492670065	AUTDHKHEFGMRKX-SREVYHEPSA-N	322.328	1.585	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)NC2CCCCC2)nc1	901130837	XVBGWVHYAAYFEQ-UHFFFAOYSA-N	304.350	1.834	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@]1(Cl)C[C@H]2CC[C@H]1O2	907090379	JEYDFOIAVWJHJI-NQBHXWOUSA-N	311.725	1.967	50	20	DDGD	
Cc1ccc([C@@H]2CCCN2C(=O)c2cccc(B(O)O)c2)s1	584947137	HCSKFQSOMUGUHC-AWEZNQCLSA-N	315.203	1.714	50	20	DDGD	
COCC(=NNC(=O)CCNC(=O)OC(C)(C)C)C(C)C	495277596	WQJVQNZPXNUSHF-UHFFFAOYSA-N	301.387	1.676	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNC(=S)NCCc1cccs1	820171560	SONCBNDXFVQXRH-ZDUSSCGKSA-N	313.448	1.113	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cn(CC)cn1)c1ccccc1	827185237	PJMOWMQOFSPFJM-ZDUSSCGKSA-N	300.362	1.858	50	20	DDGD	
COCCCOc1cccc(C(=O)NN(C)[C@H](C)CO)c1C	823384977	YVNNXBVKGKKULT-GFCCVEGCSA-N	310.394	1.368	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@@H]1C[C@@H]1C(=O)O	739215845	HKIHHPIIDSTJAJ-JHXLYHHRSA-N	320.389	1.461	50	20	DDGD	
C[C@]1(C(=O)NN2Cc3ccccc3C2=O)C[C@@H]1Br	907292383	RJZFDCNHNHOKSG-GWCFXTLKSA-N	309.163	1.847	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)Cn1ccc2ccccc21)C(C)C	490995343	IXGYBQFJFDZIGZ-CQSZACIVSA-N	312.373	1.630	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cccc2ccc(C)nc12	496809368	HIIFKDCGPSXJEK-UHFFFAOYSA-N	316.317	1.259	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCCC12CCCCCC2	584970271	AJIKPZTYROLLBW-UHFFFAOYSA-N	301.195	1.695	50	20	DDGD	
O=C(CCCc1nc2ccccc2s1)N1CC[C@H](B(O)O)C1	585069463	MRHLMGGDWSRKNV-NSHDSACASA-N	318.207	1.694	50	20	DDGD	
C[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1cccc(B(O)O)c1	584968430	KWXDMKRIPJIFKF-YVEFUNNKSA-N	309.174	1.420	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H](NC(=O)O)C(C)C)c1	738736887	YRNSBUYDIIHNOC-NSHDSACASA-N	324.406	1.605	50	20	DDGD	
Cc1noc(C)c1C[C@H](C)NC(=O)NNC(=O)c1ccc[nH]1	739047687	DPWZLJIMHWFKLD-QMMMGPOBSA-N	305.338	1.195	50	20	DDGD	
CC(C)(CNCc1ccc(B(O)O)cc1F)[C@H]1CCCCO1	585031865	YYYNBSFULDGBPC-OAHLLOKOSA-N	309.190	1.190	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NCC(C)(C)CC#N)cc1	838754625	ICXCRFGSFDXQOI-UHFFFAOYSA-N	319.365	1.971	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC[C@@](F)(C(=O)O)C1	909306221	FHXOPQGEYQTBOC-CPCISQLKSA-N	310.163	1.821	50	20	DDGD	
CCS(=O)(=O)CC(C)=NNC(=O)CCN1CCCCCC1	733746616	WAUKKFWUBXLXLM-UHFFFAOYSA-N	317.455	1.179	50	20	DDGD	
CCN1C[C@@H](NC(=O)NNc2c(C)cccc2Cl)CC1=O	838675763	NNDPNPIGESRHNN-JTQLQIEISA-N	310.785	1.895	50	20	DDGD	
COCCN1CCC[C@H](NC(=O)[C@@]2(C)C[C@H]2Br)C1	906598069	TUYRSMPHHKGETC-LOWVWBTDSA-N	319.243	1.387	50	20	DDGD	
CN1CC[C@@H]2CN(C(=O)[C@@H](Br)C(C)(C)C)C[C@@H]21	836847698	BMPANNYRMTTXHB-OUAUKWLOSA-N	303.244	1.959	50	20	DDGD	
CO[C@H]1C[C@@H](NCC(=O)NNC(=O)c2cccs2)C12CCC2	839191999	RTVPRNJZSVLLDY-NEPJUHHUSA-N	323.418	1.056	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2COc3cc(Cl)ccc3C2)cc1	585047104	GXIUSJVOCAOCLZ-HNNXBMFYSA-N	317.581	1.113	50	20	DDGD	
C[C@H](OCC1CC1)C(=O)NNc1ccccc1S(C)(=O)=O	732304870	XQPLIVIYISBESZ-JTQLQIEISA-N	312.391	1.348	50	20	DDGD	
O=C(NCC(F)F)NNC(=O)Nc1ccc2c(c1)OCO2	836332870	ITHZRKSGTFUYKA-UHFFFAOYSA-N	302.237	1.016	50	20	DDGD	
CO[C@H](C1CC1)[C@@H](C)NC(=O)NNC(=O)Cc1ccc(F)cc1	836640141	CARIIXPHTHBPBC-BMIGLBTASA-N	323.368	1.512	50	20	DDGD	
O=C(NNC(=O)C(F)(F)c1ccc(F)cc1)[C@H]1CCCCO1	833250156	CTKJWCSKDOXYBA-LLVKDONJSA-N	316.279	1.634	50	20	DDGD	
CCN(Cc1occc1C)[C@@H](C)C(=O)NNC(=O)CC(C)C	839661119	KRHDRKQUIJJNQL-ZDUSSCGKSA-N	309.410	1.992	50	20	DDGD	
CN1CCN(C(=O)CCCC[C@@H]2CCSS2)[C@@H](CO)C1	912749439	YYOQIGYVHPPTAB-CHWSQXEVSA-N	318.508	1.835	50	20	DDGD	
CCCn1nccc1C(=O)NNc1ccc(C(F)(F)F)nn1	831156949	CBWSUBMBQUJYDS-UHFFFAOYSA-N	314.271	1.859	50	20	DDGD	
COCC1(C(=O)NNC(=O)COc2ccc(C)cc2)CCCC1	837311226	UDXOOLCDYBRIGW-UHFFFAOYSA-N	320.389	1.728	50	20	DDGD	
O=C(NN=Cc1ccccc1N1CCOCC1)c1cccnc1	912775573	ULIICSHNCOYGDD-UHFFFAOYSA-N	310.357	1.682	50	20	DDGD	
COC(=O)c1cc(C)cc(C(=O)NNC(=O)[C@@H]2CCCCO2)c1	837677217	XXPRRNCVZPYSPJ-ZDUSSCGKSA-N	320.345	1.112	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCCCCC2)c1ncon1	832825847	IYQPLIYQJLYSQS-UHFFFAOYSA-N	320.374	1.865	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1cccc(F)c1C	743255554	GIXDFOIUBRVMRB-UHFFFAOYSA-N	303.359	1.427	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NC[C@@H]1CC1(Cl)Cl	918060602	PXMGFHZBQJRYJF-BYPYZUCNSA-N	308.087	1.463	50	20	DDGD	
COCCOc1ccc(C(=O)NN(C)C[C@@H](C)O)c(Cl)c1	910159495	IOWNCZDRLNYZRA-SNVBAGLBSA-N	316.785	1.323	50	20	DDGD	
CCn1nc(C(=O)NN=C2CCO[C@@H]2C)c2ccccc2c1=O	747746638	KLVATVDTCZQUHJ-SNVBAGLBSA-N	314.345	1.311	50	20	DDGD	
CC(=NNC(=O)Cc1ccncc1)c1ccc([S@](C)=O)cc1	747641486	CLDJZZSEIRKFJB-QFIPXVFZSA-N	315.398	1.902	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cccc(Br)c1F	910151923	HDRROHJREWHJBN-ZETCQYMHSA-N	305.147	1.546	50	20	DDGD	
COc1cc(CC(=O)NNc2ncnc3[nH]cnc23)ccc1C	743468388	FFTRHLQQSLVWDO-UHFFFAOYSA-N	312.333	1.356	50	20	DDGD	
Nc1cc(C(=O)NNC(=O)c2ccccc2F)cc(Cl)n1	749389369	WDSWDCMNTHPVDV-UHFFFAOYSA-N	308.700	1.531	50	20	DDGD	
CC[C@@H]1CN(CC(=O)NNC(=O)c2cccc(C)c2)[C@@H](C)CO1	844390568	IGQQBZXMUJDEJB-DZGCQCFKSA-N	319.405	1.255	50	20	DDGD	
CCc1cc(CNC(=O)NNC(=O)c2ccccc2F)on1	741274252	HPGLPVLOGIHHIM-UHFFFAOYSA-N	306.297	1.520	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccccc1F)c1cnn(C)c1	743632498	HDFFRIMPYMLMFK-SECBINFHSA-N	305.313	1.264	50	20	DDGD	
CC(C)CNC(=S)NNC(=O)CCN1CCCCCC1	916116969	ZQOQILFOLNKYMO-UHFFFAOYSA-N	300.472	1.404	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CSc1nccc2ccccc12	910166132	MNKYBEMXNKXDKC-LLVKDONJSA-N	305.403	1.671	50	20	DDGD	
COc1cccc(NC(=S)NNC(=O)Cc2ccncc2)c1	747672588	NUGUDJPHPHBGMG-UHFFFAOYSA-N	316.386	1.651	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN2C)c1	843871019	UMKFBAONRNXATK-ZDUSSCGKSA-N	305.382	1.317	50	20	DDGD	
NC[C@@H](NC(=O)NNc1ncc(F)cc1F)C1CCCCC1	841940145	YZHCRHAEDPWJCA-GFCCVEGCSA-N	313.352	1.894	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ncc(C)o1	841643307	AALHYXZGBOHUCA-NSHDSACASA-N	320.349	1.350	50	20	DDGD	
C[C@H](CCCc1ccccc1)C(=O)NNC(=O)c1ncccn1	841350625	ORSPENDOWSZEIV-CYBMUJFWSA-N	312.373	1.897	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NN=Cc1ccc(C(=O)O)[nH]1	749810771	WZCNVGJLWAXDBC-UHFFFAOYSA-N	310.313	1.887	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H](CN)CC(C)C	841954815	VREGLADAIJURLX-NSHDSACASA-N	308.382	1.013	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(C(F)F)cc1F	847098806	OYXCEHDTILJMHK-CBAPKCEASA-N	316.279	1.949	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=S)NC[C@H]1CCCCO1	758219185	HZEMUIWNMLWOOP-CQSZACIVSA-N	321.446	1.684	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H]1C[C@H]1c1cc(OC)ccc1OC	854919661	ADYLSUJFVPEFOG-JQWIXIFHSA-N	323.418	1.275	50	20	DDGD	
NC(=O)c1ccc(/C=C/C(=O)NNC(=O)NC2CCCCC2)o1	854192547	OYMRBNGWLDSXAN-VQHVLOKHSA-N	320.349	1.055	50	20	DDGD	
CC(C)SCC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855829524	NCUPEUBHCGHAHQ-UHFFFAOYSA-N	317.455	1.218	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)c1cccc(C)n1)C1CCCC1	852294004	SRMFHWONHNITAL-AWEZNQCLSA-N	320.393	1.539	50	20	DDGD	
CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1C	920384872	RCEMTQHIHXYWQC-GFCCVEGCSA-N	309.391	1.205	50	20	DDGD	
O=C(CC[C@@H]1CC1(Cl)Cl)NNc1ncnc2[nH]cnc12	857130701	UFWPGXUWQBQANK-ZCFIWIBFSA-N	315.164	1.770	50	20	DDGD	
C[C@@H]1CN(C(=O)NC[C@]2(C)C[C@H]2Br)CC[C@@H]1O	856959898	ZJVOQTIQLMEZGR-KLBPJQLPSA-N	305.216	1.572	50	20	DDGD	
CC(C[C@@H](C)NC(=O)OC(C)(C)C)=NNC(=O)c1cc[nH]n1	853392214	LCOHAQZUMRZCMN-SECBINFHSA-N	309.370	1.819	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2cccc3c2OCC3)n1	927539916	SERKGCPMWJOFEL-UHFFFAOYSA-N	313.361	1.855	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cc2c(cc1F)CCC(=O)N2	755738995	CPKKMOVWRNDBAJ-QMMMGPOBSA-N	322.340	1.909	50	20	DDGD	
CC(=O)N[C@H](C)C(=O)NNc1nc2ccc(Cl)cc2s1	856234249	RDHCTTDWTYSWEO-ZCFIWIBFSA-N	312.782	1.917	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)COCc2ccccc2)[C@@H]1C	859489516	NAKRNCIFGREZIW-IATRGZMQSA-N	320.389	1.410	50	20	DDGD	
CC1CC(C#N)(C(=O)NNC(=O)COc2ccc(F)cc2)C1	758158842	RRRFOJBXSXKKRF-UHFFFAOYSA-N	305.309	1.292	50	20	DDGD	
NC(=O)c1ccc(CC(=O)NNc2ccc(Cl)nc2)cc1	754248599	QLMCBHWRHPLERZ-UHFFFAOYSA-N	304.737	1.520	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1n[nH]c2c1CCCC2	855091762	DOABUXMJCVWCDA-UHFFFAOYSA-N	307.423	1.198	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)c1cnco1	758090184	OSOZYHKMYABKNM-UHFFFAOYSA-N	313.317	1.048	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@@H]1Cc2cccc(O)c2C1	759458661	BFGYSECWNPBHQZ-SECBINFHSA-N	319.752	1.629	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=S)N[C@H](C)C2CC2)c1C	855098120	DPLDNLPKETYCRH-SNVBAGLBSA-N	323.466	1.899	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)C(F)(F)c1nccs1	757600210	XYRRXPAXJVUUDA-UHFFFAOYSA-N	304.709	1.849	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCC(O)(CO)CC1	855685330	VCBZCMQBLGMVJP-UKTHLTGXSA-N	304.321	1.078	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1C1CC1)c1cnn(-c2ccccc2)c1	751276359	YJZWGTFZFOQUAT-LSDHHAIUSA-N	310.357	1.679	50	20	DDGD	
CCC(=NNC(=O)Cc1nc2ccccc2n1C)c1ccn(C)n1	758083330	HLNPBHJQSSMFAP-UHFFFAOYSA-N	324.388	1.780	50	20	DDGD	
CN(NC(=O)c1ccc(CNS(C)(=O)=O)o1)c1ccccc1	754015757	WNEGSVLNZWYIFA-UHFFFAOYSA-N	323.374	1.110	50	20	DDGD	
C[C@H]1CC/C(=C/C(=O)OCC(=O)NNC(=O)c2ccccc2)C1	754190670	IXGIQPXTMSDNQC-IXJPEXDMSA-N	316.357	1.737	50	20	DDGD	
CN(CC(=O)NNc1nc(O)c2ccccc2n1)C1CCC1	863894689	ALLNJNHLMVEULG-UHFFFAOYSA-N	301.350	1.263	50	20	DDGD	
COc1ncnc(N(C)C)c1NC(=O)NNc1cccc(C)n1	860787580	MMQMEFBZWHIJQY-UHFFFAOYSA-N	317.353	1.403	50	20	DDGD	
Cc1oc(C(=O)N(C)NC(=O)OCc2ccccc2)cc1CO	869375762	GPWKFONOLBRPRO-UHFFFAOYSA-N	318.329	1.994	50	20	DDGD	
OB(O)c1ccccc1CNc1ccc(-n2ccnc2)c(F)c1	864026025	UVKWDJBZPAANOR-UHFFFAOYSA-N	311.125	1.303	50	20	DDGD	
O=C(NNc1cnccn1)c1ccc(OCC(F)(F)F)cn1	765519555	ZJEYOOWOBHXBGP-UHFFFAOYSA-N	313.239	1.570	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CC1CC1)n1ccc(C(F)(F)F)n1	868590020	JZALAKFBSSIYFU-ZETCQYMHSA-N	304.272	1.410	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)c2cccn2C)c(C2CC2)n1	864594267	QJDAGYOCTPFUEG-UHFFFAOYSA-N	301.350	1.194	50	20	DDGD	
CC(C)C(=O)Nc1cccc(NCc2ccccc2B(O)O)c1	864019541	ITUILELWHRFBLJ-UHFFFAOYSA-N	312.178	1.573	50	20	DDGD	
Cc1ncoc1C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1	768261902	YAKCJKMXXBZPQM-UHFFFAOYSA-N	317.330	1.509	50	20	DDGD	
COc1ccccc1NCC(=O)NN=CC1(OC)CCOCC1	761745645	JUQXEMRLOKTIML-UHFFFAOYSA-N	321.377	1.405	50	20	DDGD	
C[C@H]1CN(CCCNC(=O)NNc2ccc(F)cc2)CCCO1	764586308	YPVRNBXVYPFQTI-ZDUSSCGKSA-N	324.400	1.953	50	20	DDGD	
Cc1cc(NNC(=O)c2cn(CC(F)(F)F)nc2C)ncn1	764324736	XZZSBZDIVSNQMO-UHFFFAOYSA-N	314.271	1.609	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)NNc1cccc(C)n1)C2	862518400	RJNSOXPPEKIHGA-XQQFMLRXSA-N	316.361	1.476	50	20	DDGD	
COCc1ccc(C(=O)NNC(=O)OCC(F)(F)F)cc1F	869281244	BIVAOIPNGVQBLW-UHFFFAOYSA-N	324.230	1.905	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1CCCN1Cc1ccccn1)C(F)(F)F	862313127	CNYXKCADKFVIBG-JQWIXIFHSA-N	316.327	1.618	50	20	DDGD	
N#CC1=CCN(C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1	767157944	PUBNBHIFAIKPFR-UHFFFAOYSA-N	324.315	1.667	50	20	DDGD	
C#CCCCNC(=O)NNC(=O)CSc1ccccc1O	763523873	NJBUGFDATFYHFZ-UHFFFAOYSA-N	307.375	1.228	50	20	DDGD	
CN(C)C1(C(=O)NNC(=O)CSc2ccccc2O)CCC1	765249596	VGWGWBZUCQZLTP-UHFFFAOYSA-N	323.418	1.116	50	20	DDGD	
COc1ccc(OC(C)(C)C(=O)NNC(=O)c2cn[nH]c2)cc1	862469282	FHKPTVQEFVLHCA-UHFFFAOYSA-N	318.333	1.037	50	20	DDGD	
Cc1nn2c(C=NNC(=O)Cc3cccnc3)c(C)nc2s1	765577154	QNJAAIYCJCWTNP-UHFFFAOYSA-N	314.374	1.495	50	20	DDGD	
C[C@H](OC1CCCCCC1)C(=O)NNC(=O)c1ccccn1	760209884	ACVZNUYSUCDFOY-LBPRGKRZSA-N	305.378	1.971	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)CN2CCSC2=O)c1	768703024	XYEPQHDFIJTQMA-UHFFFAOYSA-N	311.754	1.219	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H]1CCN(C2CCCCC2)C1=O	765877838	GDWITPZNVPRFFB-CYBMUJFWSA-N	324.425	1.297	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNc1ccc(Cl)nn1)C(C)C	878887107	RQJPFPQGFVIRHC-JTQLQIEISA-N	300.746	1.408	50	20	DDGD	
C[C@]1(C(=O)N2CCC(S(C)(=O)=O)CC2)C[C@H]1Br	1119564241	QWPPFHKQUQBYHJ-KOLCDFICSA-N	324.240	1.196	50	20	DDGD	
CCn1ncc(C(=O)NNc2ccc(Cl)nn2)c1C1CC1	878886517	LEIJXQYQCXNJIY-UHFFFAOYSA-N	306.757	1.981	50	20	DDGD	
CCCN1CCC[C@H]1C(=O)NNC(=O)c1ccc(OC)cc1	1115927909	HNSMZGJUIIYXPO-AWEZNQCLSA-N	305.378	1.331	50	20	DDGD	
C[C@H](CBr)CN1CCN(CC[S@@](C)=O)CC1	770667641	RFVIAJZEGQLOCJ-BDJLRTHQSA-N	311.289	1.014	50	20	DDGD	
Cc1nn(Cc2ccccc2)c(C)c1C(=O)NN(C)C(N)=O	778415402	FOORQBPBJBWUCT-UHFFFAOYSA-N	301.350	1.204	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN(C)c1ccsc1	878830766	QIGBLDWTFRUZDG-UHFFFAOYSA-N	317.414	1.883	50	20	DDGD	
CCN1C(=O)C[C@H](C(=O)NNC(C)=O)[C@@H]1c1cccc(C)c1	877960828	DEGLSNSSQOKNBV-ZFWWWQNUSA-N	303.362	1.072	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccc(F)cc2OC)o1	1116837443	HAZTXMQCFFJJNG-UHFFFAOYSA-N	308.265	1.971	50	20	DDGD	
CC[C@H](C(=O)NNC(=S)Nc1ccc(N(C)C)cc1)N(C)C	874953084	RCRVILUPFBOOHF-CYBMUJFWSA-N	323.466	1.410	50	20	DDGD	
COCCOc1ccc(C(=O)NNc2cccnn2)c(Cl)c1	771467749	ATLJTEJVHQYCBE-UHFFFAOYSA-N	322.752	1.912	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1nc(Cl)sc1Cl	1118309244	UIMMHWOEESFNEG-UHFFFAOYSA-N	313.235	1.967	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2c(F)cc(F)cc2F)C1	885151533	HIWZYHVKQCOZFH-HTQZYQBOSA-N	315.295	1.839	50	20	DDGD	
CC(C)(NCC(=O)NNC(=O)C1CC1)c1cccc(Cl)c1	775447043	VTXWJMMTLYORCC-UHFFFAOYSA-N	309.797	1.722	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)CCCCl)C[C@]2(CCCOC2)O1	882148909	BGOAYETXGYBWKN-NEPJUHHUSA-N	311.831	1.215	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(C(=O)NC(C)C)cc1	887146683	HITDOPHFWFQNET-UHFFFAOYSA-N	315.373	1.389	50	20	DDGD	
CN1CCCC[C@@H]1CNC(=O)NC[C@]1(C)C[C@@H]1Br	1121992409	IVXGALWEMARVIG-MDZLAQPJSA-N	318.259	1.943	50	20	DDGD	
CC[C@@H](OC1CCCCC1)C(=O)NNC(=O)c1cccnn1	882058852	RIABEZODXGNSJA-CYBMUJFWSA-N	306.366	1.366	50	20	DDGD	
COc1cc(NC(=O)NNc2nccnc2OC)ccc1F	782093029	KKXUSJUZKNGROM-UHFFFAOYSA-N	307.285	1.782	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCc2ccc(C#N)cn2)cc1	780652362	LJKBBMYWMKEAMB-UHFFFAOYSA-N	323.356	1.660	50	20	DDGD	
CC(=O)NC1CCC(N(C)S(=O)(=O)CCCCl)CC1	882062001	YCNUOQAXMBWXES-UHFFFAOYSA-N	310.847	1.324	50	20	DDGD	
COCC(=NNC(=O)COCc1ccccc1)C1CCOCC1	780226641	APXWRYHNOXEHJU-UHFFFAOYSA-N	320.389	1.748	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1ccc(OC2COC2)cc1	782094571	NCTGXBJNLNDYOC-UHFFFAOYSA-N	319.296	1.542	50	20	DDGD	
Cc1ocnc1C(=O)NNC(=O)NCc1ccc(Cl)cc1	787430488	AOCPXHVWRRWATF-UHFFFAOYSA-N	308.725	1.781	50	20	DDGD	
CC(C)n1cc(NC(=O)C(=O)NNc2ccc(Cl)nc2)cn1	784869612	BMAUIFWJRNVVQH-UHFFFAOYSA-N	322.756	1.594	50	20	DDGD	
C[C@@H](C(=O)NNC(=S)NC(C)(C)C)n1cnc2ccccc21	899992193	QPWVAGFQGLVCBZ-JTQLQIEISA-N	319.434	1.891	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)NCCC#N)cc1	787351234	AQVWFJWFJQCVBD-NSHDSACASA-N	320.349	1.097	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)nc1	781520035	ZQUPGWHBDALIBS-UHFFFAOYSA-N	318.289	1.764	50	20	DDGD	
O=S(=O)(CBr)NC[C@H](CO)Cc1ccccc1	782455426	ISKZYVORSQYKGN-LLVKDONJSA-N	322.224	1.109	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc([N+](=O)[O-])c(O)c2)nc1	781533520	HIWJRCQDFDZPRQ-UHFFFAOYSA-N	304.262	1.461	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53)c1ccccn1	792760705	CQMONAIOOXPJQY-BCWHTBRZSA-N	309.369	1.237	50	20	DDGD	
Cn1nncc1C(=O)NN=C(c1ccccc1)c1ccccc1	798346389	FECLCDXQDZULOO-UHFFFAOYSA-N	305.341	1.998	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)NCCc1cccs1	793207055	MGEXNEQYXCDGBT-JQWIXIFHSA-N	313.423	1.682	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cnc3n[nH]c(C)c3c2)n1	794080026	KALYZYNTBVSOQE-UHFFFAOYSA-N	310.317	1.045	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2cn(C(C)(C)C)nn2)cc1	790146480	XUVSSKHSOPLBKG-UHFFFAOYSA-N	315.377	1.871	50	20	DDGD	
C[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)Cc2ccccc2O1	795432162	GHFZRDAPRRWSAG-LBPRGKRZSA-N	319.405	1.463	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C[C@@H]2CCCOC2)cc1	794907148	QYGYJRHIMPIKJT-LBPRGKRZSA-N	321.377	1.071	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H](C)c2cn(C)nc2C)n1	792894640	AYINGUIWMRYOSC-JTQLQIEISA-N	316.365	1.137	50	20	DDGD	
CS(=O)(=O)/C(C#N)=C\c1ccc(Cl)cc1-n1cncn1	794939667	SRIWCEKHHAJVTR-WCIBSUBMSA-N	308.750	1.830	50	20	DDGD	
Cc1cccnc1NNC(=O)c1c(C)nn(C)c1-n1cccn1	791224259	DSEIDTJHYUZIAJ-UHFFFAOYSA-N	311.349	1.375	50	20	DDGD	
Cc1cc(OCC(=O)NNc2cccc(F)c2[N+](=O)[O-])no1	791075516	FNCXJUCKSUKCHY-UHFFFAOYSA-N	310.241	1.552	50	20	DDGD	
CCO[C@H]1CCCN(C(=O)NNC(=O)c2cccc(C)n2)C1	793227854	IEXKMAAGDFAPRB-LBPRGKRZSA-N	306.366	1.245	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1ccc(OCCC(=O)O)cc1	794958089	KTQBACNHCLOFIJ-UKTHLTGXSA-N	324.358	1.296	50	20	DDGD	
O=C(NN=C1CCC12CCOCC2)[C@H]1COc2ccccc2O1	799866913	ZGZKIDOYYMYBIL-CQSZACIVSA-N	316.357	1.889	50	20	DDGD	
Cc1cccc(C(=O)NNS(=O)(=O)c2cccc(F)c2C)n1	794599838	QKVUFZNKEBLZSH-UHFFFAOYSA-N	323.349	1.461	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2Cl)CCN1C	1318836017	GXRPHNVKHUFKRH-QWRGUYRKSA-N	324.812	1.767	50	20	DDGD	
O=C(C[C@@H]1C=CCCC1)NNC(=O)c1n[nH]c2c1CCCC2	1320584712	QMKCNWACFJEECJ-LLVKDONJSA-N	302.378	1.796	50	20	DDGD	
CNC[C@H](C)CNC(=O)NNC(=O)C(C)(C)c1ccccc1	1325681390	RWLCUTANBOOJJC-LBPRGKRZSA-N	306.410	1.150	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccc(Sc2ccccn2)o1	1320798293	CLJCHAWZGWCQJG-UHFFFAOYSA-N	305.315	1.449	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1cncnc1C	1321707735	AHPIXNRTRUYRKB-UHFFFAOYSA-N	314.345	1.187	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1cnn(-c2ccccc2Cl)c1	1325581977	GRNKJRJYQGCBPZ-UHFFFAOYSA-N	323.740	1.061	50	20	DDGD	
N#Cc1ccc(N2CCC[C@H]2C(=O)NNc2ccncn2)cc1	1330643749	JTCGKYJMGAJQSF-AWEZNQCLSA-N	308.345	1.460	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cccc(F)c1Br	1332629152	DYWWRXHFWCZWFE-SSDOTTSWSA-N	305.147	1.546	50	20	DDGD	
CC(C)[C@H]1CCC[C@@H](NC(=O)NNC(=O)C2CCNCC2)CC1	1331457360	VQVFRDZSGCXEGD-DZGCQCFKSA-N	324.469	1.921	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)Cn1ccc2ccccc21	1337068427	SODKSDMTAROLBF-UKRRQHHQSA-N	315.373	1.604	50	20	DDGD	
COc1nn(C)cc1C(=O)OC[C@@]1(C)C[C@H]1Br	1263536775	FFHVJCZTZFCWKA-LDYMZIIASA-N	303.156	1.759	50	20	DDGD	
C[C@]1(COC(=O)CCn2cnccc2=O)C[C@H]1Br	1345220617	RXVGTYNSEGEJAN-BXKDBHETSA-N	315.167	1.350	50	20	DDGD	
O=C(NN=C1CCC12CCOCC2)C(=O)Nc1ccccn1	1344578735	GRHDUAQNSPQLDJ-UHFFFAOYSA-N	302.334	1.083	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H]2CCC[C@@H]2OC)c1	1347278688	JJDKKVSLMQPOQL-KBPBESRZSA-N	317.414	1.801	50	20	DDGD	
CCCNC(=O)[C@@H](C)NC(=O)NNc1ncnc2ccsc12	1357682529	RKFBWJOZDMYNPL-MRVPVSSYSA-N	322.394	1.232	50	20	DDGD	
COCCN(C)NC(=O)c1cccc(C(=O)N2CCCCC2)c1	1520163477	GGDROBAREPEURK-UHFFFAOYSA-N	319.405	1.536	50	20	DDGD	
COc1ccc2nc(NNC(=O)[C@@H](C)C(=O)O)c(C)cc2c1	1604851025	HTGLESRAAJILNW-SECBINFHSA-N	303.318	1.716	50	20	DDGD	
O=C(O)[C@@H]1CC12CCN(S(=O)(=O)CCCCCl)CC2	1601774963	VSATVFLUWGQVJQ-JTQLQIEISA-N	309.815	1.522	50	20	DDGD	
Cc1cccc(C(=O)NN[C@H](C(=O)O)c2cccc(C#N)c2)n1	1607839257	BROKYIUIIPMSLU-AWEZNQCLSA-N	310.313	1.322	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2cc3n(n2)CCCC3)cc1	1602129065	MBHKMCFNFJXWDN-UHFFFAOYSA-N	314.345	1.603	50	20	DDGD	
Cc1ccc(NNC(=O)CCc2ccn(C)n2)cc1C(=O)O	1607810300	XXDUAQRNMPCWGW-UHFFFAOYSA-N	302.334	1.503	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)C1CCCC1)c1cccc(C(=O)O)c1	1606343357	UPMOVBRTSJSKLL-ZDUSSCGKSA-N	320.345	1.410	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)C2CCOCC2)c(C(=O)O)nn1C	1600009882	RRJMFJGARHRWKO-YRNVUSSQSA-N	303.318	1.329	50	20	DDGD	
O=C(Cc1ccc(C(=O)O)cc1)NNC(=O)Nc1ccccc1	1608359579	MUUHSHGADSMASO-UHFFFAOYSA-N	313.313	1.780	50	20	DDGD	
CC[C@H](NC(=O)NNc1cccc(-c2nn[nH]n2)c1)C(F)F	1604047407	IXOGRZUAVOURJY-VIFPVBQESA-N	311.296	1.537	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)c2cccc(-c3nn[nH]n3)n2)c1	1609421509	HSZOQAYRJBOXIZ-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
N#C[C@@]1(C(=O)NNc2ccc(C(=O)O)cn2)C[C@H]2CC[C@H]1C2	1601050711	HEBQUPWDFUMCGT-ZSGNIPIJSA-N	300.318	1.553	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(C[C@H](C)C(=O)O)cc1	1606488224	UIDMXMMKFCNFLY-VIFPVBQESA-N	309.322	1.685	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)COCc2ocnc2C(=O)O)c1	1607764174	NDQQTYVGSCHIEJ-UHFFFAOYSA-N	319.317	1.650	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)NCCC2CCOCC2)cc1	1608780897	JBYQETVSNOCKMM-UHFFFAOYSA-N	321.377	1.757	50	20	DDGD	
N#CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(Cl)Cl	1802340578	KVNQILQMDWXLHH-ILWJIGKKSA-N	318.204	1.732	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@@H]1C(=O)NN=C1CCC(O)CC1	1549321262	SXDMQDVGUOPKIM-MHEXWIEDSA-N	320.393	1.295	50	20	DDGD	
CO[C@@H]1CCCC(=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)CC1	1550191879	IWMKWDPFILABBC-RRFJBIMHSA-N	309.410	1.301	50	20	DDGD	
CCCN(NC(=O)[C@@H](F)[C@@H]1CCNC1)C(=O)OC(C)(C)C	1577530476	KZXNOTHNIPTLIE-MNOVXSKESA-N	303.378	1.612	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H](N)Cc2cc3ccccc3o2)nc1	1580070503	ZMEPGYHCCPFNNF-AWEZNQCLSA-N	321.340	1.713	50	20	DDGD	
CC(C)N1CC[C@H](CNC(=O)NNc2ncccc2C(=O)O)C1	1588922111	ZEIMKZTXPIUZSV-LLVKDONJSA-N	321.381	1.136	50	20	DDGD	
CCCN1CC[C@H](CNC(=O)NNc2ncccc2C(=O)O)C1	1589673915	WPPNYUQXVSLTQP-LLVKDONJSA-N	321.381	1.138	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)CC(C)(C)C)c1cccc(C(=O)O)c1	1598709559	PHWIBUXYMSPNCU-ZDUSSCGKSA-N	322.361	1.656	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCS1)Nc1ccccc1C(=O)O	1594783214	WGTKBZWRWHALRM-JTQLQIEISA-N	309.347	1.433	50	20	DDGD	
O=C(Cc1ccsc1)NN=Cc1nc(-c2nn[nH]n2)cs1	1592927984	JJZIXQJRUZGRAC-UHFFFAOYSA-N	319.375	1.078	50	20	DDGD	
COC(C)(C)[C@@H](C)NC(=O)NNc1ccc(CC(=O)O)cc1	1599030828	DSWFYQFDZZKJGA-SNVBAGLBSA-N	309.366	1.753	50	20	DDGD	
N#Cc1ccc(C(=O)O)c(C=NNC(=O)Cc2ccccn2)c1	1776043347	IUOMQTPHQQDCJA-UHFFFAOYSA-N	308.297	1.344	50	20	DDGD	
CC(Cc1cnccn1)=NNC(=O)Nc1ccc(C(=O)O)cc1	1776045431	KAWSOJRTGJUQAK-UHFFFAOYSA-N	313.317	1.915	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)c2ccc(O)nn2)c(Cl)c1	1776047980	XWMDGIJWYTUADV-UHFFFAOYSA-N	320.692	1.298	50	20	DDGD	
CC(C)NC(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1[N+](=O)[O-]	1776129405	HVTYMEKSSXDHJA-VZUCSPMQSA-N	303.274	1.725	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cocn1)[C@H](F)Cl	1795313649	JPUDSVYCNKMMLL-DKIAZLNASA-N	315.732	1.461	50	20	DDGD	
C[C@H]1CCCN(CC(=O)NNC(=O)c2ccccc2Cl)C1	15376870	OAARNKRTLBPUDT-NSHDSACASA-N	309.797	1.833	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)CNc2ccc(OC)cc2)co1	161618959	PFAQNJGRBZBXTE-UHFFFAOYSA-N	318.333	1.119	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)OC)nn1-c1ccccc1Cl	158879630	IWHXTCVOSJVHQJ-UHFFFAOYSA-N	323.740	1.484	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CN(C)C)cc1OC(F)F	160379570	DWIBTPVOXDRQQV-UHFFFAOYSA-N	316.308	1.311	50	20	DDGD	
CCSc1cc(C(=O)NNC(=O)c2cc(C)n[nH]2)ccn1	151155090	JRNOKVDHZMCCPI-UHFFFAOYSA-N	305.363	1.300	50	20	DDGD	
N#Cc1cc(F)c(C(=O)NNc2ncccc2[N+](=O)[O-])c(F)c1	152829512	YWOBKMCLFAMELC-UHFFFAOYSA-N	319.227	1.897	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)Nc1ccccc1C	152903855	DYLPWPUBRYLALZ-UHFFFAOYSA-N	306.366	1.453	50	20	DDGD	
NC(=O)COc1cccc(C(=O)NNc2ccccc2F)c1	152876425	IOHJNKGGFAFACS-UHFFFAOYSA-N	303.293	1.447	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1noc2c1CCCC2	153312526	VODUVPIDSYNRHO-UHFFFAOYSA-N	303.278	1.614	50	20	DDGD	
CN(C)Cc1cccc(C(=O)NNC(=O)c2ccc(C#N)cc2)c1	156024032	ZEIIAINEPQFYTH-UHFFFAOYSA-N	322.368	1.695	50	20	DDGD	
O=C(Cn1cccn1)NNc1ccc(F)cc1Br	153878106	WABBUNOAZNBNNZ-UHFFFAOYSA-N	313.130	1.928	50	20	DDGD	
COc1ccc(NNC(=O)NCCc2ccccc2OC)nc1	156511037	ZCMFLFVBLDNHAV-UHFFFAOYSA-N	316.361	1.968	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)c2ccc(CCl)cc2)C[C@H](CO)O1	312572499	SLYLKPGKCVXVOF-CMPLNLGQSA-N	319.810	1.196	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	56370661	VGNWRGUFYJJMCG-UHFFFAOYSA-N	304.325	1.807	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N(C)CCC(C)C	171728360	FTQMWZIHOBUVEO-UHFFFAOYSA-N	317.393	1.975	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)[C@@H]2C[C@@H]2C2CC2)nc2ccccc21	177611761	RIVYPNFJJRFXGZ-VXGBXAGGSA-N	312.373	1.309	50	20	DDGD	
Cc1ccnc(NNC(=O)CNC(=O)COc2ccccc2)c1	176738515	JDOFAUCKOVWVED-UHFFFAOYSA-N	314.345	1.028	50	20	DDGD	
Cc1ccc(C)c2c(C)c(C(=O)NNC(=O)CN(C)C)oc12	113425256	DKXLDKHRMFUIGC-UHFFFAOYSA-N	303.362	1.681	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNC(=O)NCC(F)(F)F)s1	63123005	QMUGHROZVSQYOE-UHFFFAOYSA-N	324.328	1.947	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NNC(=O)c1ccc(CN(CC)CC)o1	69298265	LAFBNOWWINOBCZ-JSGCOSHPSA-N	323.393	1.307	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)nc1	107536843	ZJYHWUQJRZDAPL-UHFFFAOYSA-N	314.732	1.610	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)CCc2ccccc2O)[nH]n1	106287379	SXQOGECPTLLFCX-UHFFFAOYSA-N	302.334	1.072	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNc1ncccn1)c1ccc(F)cc1	56936897	HCQXNKOAVCYYCE-ZDUSSCGKSA-N	318.356	1.545	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1	66783798	XZJUEKVWPUKJIX-UHFFFAOYSA-N	307.350	1.281	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCCCCC2=O)s1	23984726	FNASAYSJHXDETL-UHFFFAOYSA-N	309.391	1.220	50	20	DDGD	
C[C@@H]1C[C@@H](CC(=O)NNC(=O)N2CCOCC2)CC(C)(C)C1	170757619	YICZRUXWJPCVAI-OLZOCXBDSA-N	311.426	1.912	50	20	DDGD	
CCCCOCC(=O)NNC(=O)c1cccc2ncccc12	118335141	CQEWIEMJGXLXPS-UHFFFAOYSA-N	301.346	1.813	50	20	DDGD	
O=C(NNC(=O)[C@H]1SCCc2ccccc21)c1ccncc1	173005877	KQQDHBWUGOFSBI-AWEZNQCLSA-N	313.382	1.873	50	20	DDGD	
Nc1ccc(C(=O)NNc2ccc(Cl)nn2)cc1[N+](=O)[O-]	118504762	NQOFYWAVEGVTGW-UHFFFAOYSA-N	308.685	1.377	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)Cc1ccncc1)C(C)(C)C	177563225	FMQLPBWIRSUJSN-GFCCVEGCSA-N	308.382	1.016	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)c2ccccc2OC)CCO1	67482726	QAGAFNQDNMCHAZ-NSHDSACASA-N	307.350	1.160	50	20	DDGD	
Cc1ccc2ncc(/C=C(\C#N)C(=O)Nc3ccn(C)n3)n2c1	179420515	JSTLHMASQYQKLW-KPKJPENVSA-N	306.329	1.922	50	20	DDGD	
CN1C(=O)CC[C@@H](C(=O)NN)[C@@H]1c1ccc(C(F)(F)F)cc1	121190296	VWIGXKFNFVCSHT-PWSUYJOCSA-N	315.295	1.605	50	20	DDGD	
CCO[C@H](C(=O)NNc1ncnc2nc[nH]c12)c1ccccc1	173963710	JTLHMBDBTKERDG-LBPRGKRZSA-N	312.333	1.574	50	20	DDGD	
O=C(NNS(=O)(=O)C[C@@H]1CCCO1)c1cc2ccccc2o1	174986544	FGEDNCVHXXGKRH-NSHDSACASA-N	324.358	1.176	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NNc1ccc(Cl)nn1	172441653	XKVJWNPLRQKUMP-SDBXPKJASA-N	320.736	1.802	50	20	DDGD	
COc1ccccc1C(=O)NNS(=O)(=O)c1cccc(C)c1	67438219	NCLRJJXUDLHAOS-UHFFFAOYSA-N	320.370	1.627	50	20	DDGD	
Cn1nccc1NC(=O)NNC(=O)c1cc(Cl)ccc1O	124808268	SAOCEDYZKVURMW-UHFFFAOYSA-N	309.713	1.246	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	129589802	ZSQPPJYLSIVZAY-NSHDSACASA-N	316.361	1.653	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@H]1CCCN1Cc1ccccc1	123368809	HQBKIFYELGCONF-CQSZACIVSA-N	315.352	1.723	50	20	DDGD	
COC(=O)NNC(=O)Cc1ccc(Br)c(F)c1	185416511	KGWGNMULAQDCOH-UHFFFAOYSA-N	305.103	1.518	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCO[C@H]([C@H]2CCCO2)C1	154651888	NDZSEBRDMRJWTO-NEPJUHHUSA-N	311.831	1.215	50	20	DDGD	
O=C(NNc1ccccn1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1	181224364	WDGDXPLSHZYVLQ-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
COc1ccnc(NNC(=O)c2nn[nH]c2-c2ccccc2)n1	189051555	SJZIGHUMRFTWLH-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)c1c[nH]c2ccccc12	79314868	SSTBJWMIFQJTRU-UHFFFAOYSA-N	301.346	1.912	50	20	DDGD	
CC(C)Oc1ccccc1NC(=O)NNC(=O)c1cnn(C)c1	184031144	XXUSIXDTZGDTII-UHFFFAOYSA-N	317.349	1.674	50	20	DDGD	
COC(=O)C[C@@H]1CCCCN1S(=O)(=O)CCCCCl	228332794	YSQOSHQNNSHJSR-NSHDSACASA-N	311.831	1.753	50	20	DDGD	
CNC(=O)[C@@H](C)CN(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	194722295	PYINKBPRDNNRJH-LFTLCWSBSA-N	301.346	1.140	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)[C@@H]1CCCOC1	191616526	OCPGIPQBJBKSFW-LLVKDONJSA-N	311.769	1.597	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCn2c(C)c(C)sc2=O)o1	84291097	OXANDKDDFJKSRH-UHFFFAOYSA-N	323.374	1.279	50	20	DDGD	
O=C(Cc1ccc(O)cc1)NNC(=O)c1cc(Cl)ccc1O	132091443	UIIHNIYLHQGUNL-UHFFFAOYSA-N	320.732	1.755	50	20	DDGD	
C[C@H](Oc1ccccc1Cl)C(=O)NNC(=O)C(C)(C)O	190070670	KYZRAMDQITZOAC-QMMMGPOBSA-N	300.742	1.026	50	20	DDGD	
C[C@@H]1CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)[C@H](C(N)=O)C1	194881023	TXBJUYDOVYCNHZ-AATVDUDFSA-N	313.357	1.412	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(C)cc2O)c(F)c1	130069099	NBAWHRDZQWNFTQ-UHFFFAOYSA-N	318.304	1.923	50	20	DDGD	
O=C(NNc1cnccn1)[C@H]1CC(c2cc(F)ccc2F)=NO1	133459025	HENJCICUTJODOF-GFCCVEGCSA-N	319.271	1.391	50	20	DDGD	
CCOCCCC(=O)NNC(=O)c1ccc(OCC)c(OC)c1	47062699	YIRSGKRVCUWDKJ-UHFFFAOYSA-N	324.377	1.672	50	20	DDGD	
Cc1ccc(OCC(=O)NNc2nc3ccccn3n2)c(C)c1	191888622	UJIUPABEAQDQTF-UHFFFAOYSA-N	311.345	1.868	50	20	DDGD	
CC(C)C(CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)C(C)C	194377766	XWBGSZXLQAZREL-AWEZNQCLSA-N	319.471	1.296	50	20	DDGD	
CC(=O)N1CCC[C@@H](C(=O)NNc2cnc3ccccc3n2)C1	193473740	ZVTXERFLPDMLOV-GFCCVEGCSA-N	313.361	1.331	50	20	DDGD	
CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)cc1F	266070464	XSRWLEFUMSTICT-UHFFFAOYSA-N	321.352	1.981	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCc3cn[nH]c3C2)s1	266248953	HITPTMINLVCNRC-SECBINFHSA-N	304.375	1.346	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@@H]1CCCc2cn[nH]c21	269048451	UKDLPYGNYIHHEH-MRVPVSSYSA-N	307.745	1.557	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NC(C)(C)CNC(=O)OC(C)(C)C	264175975	XBWHUNCEJUTSNF-PKNBQFBNSA-N	311.382	1.850	50	20	DDGD	
COC[C@@H](NC(=O)NNc1nccc(OC)n1)c1ccc(C)o1	266933093	HXPJNRYRMNHZFM-SNVBAGLBSA-N	321.337	1.400	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NC[C@H]1CCCCO1	263943984	RZFWMLHPPLEYPI-OAHLLOKOSA-N	319.405	1.909	50	20	DDGD	
CSSCCNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1	367416230	UGQYWJBUOUXYOE-JTQLQIEISA-N	302.465	1.905	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccnc(OC(C)C)c2)n1	279786344	JMAOGWGFWHFRLS-UHFFFAOYSA-N	314.345	1.647	50	20	DDGD	
Cc1ccc(Cl)c(NC(=O)C(=O)NNC(=O)CC(C)C)c1	274152939	LCXWJECYZBPKEZ-UHFFFAOYSA-N	311.769	1.780	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1cccc(-n2ccnn2)c1	274249658	YZPIQOORCNTEKO-UHFFFAOYSA-N	318.337	1.829	50	20	DDGD	
CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)Cc1ccccc1OC	274996533	NNODKQONCRJXMD-LBPRGKRZSA-N	321.421	1.552	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)C1(c2ccc(F)cc2)CCCCC1	277918949	IQJSXVVKKRWDJB-UHFFFAOYSA-N	322.380	1.946	50	20	DDGD	
COC(=O)N(C)NC(=O)C[C@H]1c2ccccc2CCN1C(C)=O	375978775	DFRWQNDUXJEQEV-AWEZNQCLSA-N	319.361	1.252	50	20	DDGD	
CSSCCNC(=O)Cn1cc(Br)cn1	284096159	NHKAAMCQDXBGHE-UHFFFAOYSA-N	310.242	1.773	50	20	DDGD	
COc1ncnc(N(C)C)c1NC(=O)NCCSSC	285923473	LBUDXQJINGJPCO-UHFFFAOYSA-N	317.440	1.684	50	20	DDGD	
CCOCC1(C(=O)NNc2nc(-c3ccccc3)no2)CC1	282403426	KCFWXZBXXQRNMR-UHFFFAOYSA-N	302.334	1.996	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(CCNC(C)=O)Cc1ccsc1	283607875	QVYTZYHESWMGLM-UVTDQMKNSA-N	321.402	1.657	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2c(F)cccc2Cl)CC1	280084326	RHFOKNOXWJWZPT-UHFFFAOYSA-N	306.746	1.499	50	20	DDGD	
C[C@H](NC(=O)CC(C)(C)C)C(=O)NNC(=O)Nc1ccccc1	283687782	IJYPWQRCIGZTKS-NSHDSACASA-N	320.393	1.780	50	20	DDGD	
CNC(=O)[C@@]1(C)CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C1	281710327	HTIMYTPKKVZZQY-GQPJMJRUSA-N	313.357	1.284	50	20	DDGD	
CSCC[C@H](NC(N)=O)C(=O)NNc1ccc(F)cc1F	298131167	AUPBTDRRRFWXQX-JTQLQIEISA-N	318.349	1.198	50	20	DDGD	
O=C(COc1ccc(F)c(Cl)c1)NNC(=O)CC1CC1	294071078	HDJYNVXUORBHJP-UHFFFAOYSA-N	300.717	1.805	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1C(=O)NNc1cccc(F)n1	804768619	MFICSLKVMZXDSL-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
C#CCO[C@H](C)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	294387525	OLQFHWDLXPHUHX-GHMZBOCLSA-N	320.414	1.672	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@@H]1CCCCO1)n1cnc2ccccc21	295640908	UAQTUOIBHAVOKB-RISCZKNCSA-N	316.361	1.314	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1)C(C)C	297907506	IHEIGZXOUAZQRD-RISCZKNCSA-N	321.352	1.581	50	20	DDGD	
CC(C)N(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1	297952377	SXTOVPMZAUXYHQ-UHFFFAOYSA-N	320.349	1.229	50	20	DDGD	
O=C(NNC(=O)c1ccc2nc(O)oc2c1)Nc1ccccc1	801986790	VKNGJFWYUSCNFK-UHFFFAOYSA-N	312.285	2.000	50	20	DDGD	
Nc1ccc(C=NNC(=O)COc2ccc(Cl)cc2)cn1	807949609	JBBLVYRDGDQYQK-UHFFFAOYSA-N	304.737	1.846	50	20	DDGD	
CC(C)c1cc(NC(=O)NNC(=O)CO)n(-c2ccccc2)n1	810269802	LTDSPOXPIHJDOW-UHFFFAOYSA-N	317.349	1.141	50	20	DDGD	
Cc1nnc(CC(=O)NNC(=O)Nc2cc(F)cc(F)c2)o1	813573833	QPBNWIQBJOVRGW-UHFFFAOYSA-N	311.248	1.052	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@](C)(O)C1CCC1	813365086	DFMDCLVPVHPLDB-QLJPJBMISA-N	324.352	1.292	50	20	DDGD	
COCC(=NNC(=O)C(=O)N1CCCC1)c1ccc(Cl)cc1	814824280	PKKNOLYQDLVUHB-UHFFFAOYSA-N	323.780	1.429	50	20	DDGD	
COCCC(C)=NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	814856164	AAPPODQUTNVODW-UHFFFAOYSA-N	313.379	1.624	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNc2cccc(Cl)n2)n1	817009282	CIPZCVDEFXMQDZ-UHFFFAOYSA-N	306.709	1.674	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ncoc2C2CC2)nc1	815878311	AWVCNPAGNRJCTK-UHFFFAOYSA-N	302.290	1.491	50	20	DDGD	
COc1cnc(C(=O)NNC(=O)c2c[nH]c3ccccc23)nc1	814785027	XEVUGDYMLHRHSP-UHFFFAOYSA-N	311.301	1.041	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccc(CC(N)=O)cc2)nc1	811924677	ZJPAMSBCSXZAAR-UHFFFAOYSA-N	313.361	1.244	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)Cc1ccc(Cl)cc1	812451539	IFRLHMLKQCIWIX-GHMZBOCLSA-N	312.797	1.949	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)c2ccn(C)c2)cc1	812729316	NDLKVTTWVBWWIM-UHFFFAOYSA-N	322.390	1.032	50	20	DDGD	
NC(=O)c1ccc(C=NNC(=O)COc2ccccc2O)cc1	814952266	RSTLTGYJCBAUAT-UHFFFAOYSA-N	313.313	1.020	50	20	DDGD	
Cc1c(CNC(=O)NNc2ncncc2F)cccc1[N+](=O)[O-]	814323954	OYSUNHYOHSOJAQ-UHFFFAOYSA-N	320.284	1.659	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)Cc1cccnc1)C(=O)N2	728784445	IZWYWYWNVGMRNN-UHFFFAOYSA-N	310.313	1.105	50	20	DDGD	
CN(C)c1noc(CNC(=O)NNc2ccccc2Cl)n1	812219858	RCLLPFSSLLEKHQ-UHFFFAOYSA-N	310.745	1.615	50	20	DDGD	
COCc1nccc(NC(=O)NNc2cc(Cl)nc(C)n2)n1	825478881	HQCHJQYQUHXBPC-UHFFFAOYSA-N	323.744	1.523	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)C(C)(C)Cc1nc2ccccc2[nH]1	823928483	NPOIMDALFYXGGP-NSHDSACASA-N	304.394	1.475	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=S)Nc1ccccc1F	726872123	WJNWDQQTVCHTNC-UHFFFAOYSA-N	305.338	1.666	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1COc2ccccc21	826447916	BDBZNQAQACWLJG-CYBMUJFWSA-N	322.328	1.486	50	20	DDGD	
Cc1cc(Br)cc(C(=O)NN(C)[C@H](C)CO)c1	823935165	OGWAFWNUHNEDAO-SECBINFHSA-N	301.184	1.715	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)o1	822826028	RTNFZEFNUNNKOM-UHFFFAOYSA-N	307.273	1.095	50	20	DDGD	
Cc1ccc2c(c1)CCN(C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)C2	827258803	DYSWWJICXLPYLY-SWLSCSKDSA-N	317.389	1.519	50	20	DDGD	
COC(=O)Nc1cccc(C(=O)NNC(=O)c2ccccn2)c1	491065782	SENCNMRMYWAIMR-UHFFFAOYSA-N	314.301	1.335	50	20	DDGD	
CC(C)O[C@@H]1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1	828847697	ZTDCILLTCBQPEK-CQSZACIVSA-N	323.368	1.086	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H](C)c1cccc(O)c1	826993387	OAZHRZPRXURMID-GBIKHYSHSA-N	307.350	1.209	50	20	DDGD	
CC(C)C1(C)CCN(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CC1	827284687	XSMHRZFWHLBORV-OLZOCXBDSA-N	311.426	1.910	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)NN(C)C(=O)OC(C)(C)C)C1	496254747	LJIMVDOMYMSSAR-PHIMTYICSA-N	321.443	1.581	50	20	DDGD	
CC1CCN([C@H](C(=O)Nc2cccc(B(O)O)c2)C(C)C)CC1	584913161	PWQHAUDPAPUOEA-INIZCTEOSA-N	318.226	1.061	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cccc(OC)c2C)n1	829487883	LZDJLMIKTYWLRX-UHFFFAOYSA-N	302.334	1.868	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2ccc(CC(C)C)s2)n[nH]1	823367911	DKWCUTUFLNTILA-UHFFFAOYSA-N	320.418	1.982	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)o1	496253513	KFZOZZWFCHXSIK-ZJUUUORDSA-N	323.349	1.262	50	20	DDGD	
CC1(CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)CCC1	820618464	FGYAGPAAIIPZEA-UHFFFAOYSA-N	301.354	1.683	50	20	DDGD	
CC[C@H](O)[C@@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1OC	900045239	SUCZAOHIQCAREK-KCJUWKMLSA-N	314.769	1.517	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C1CCC1	822192259	GNONAMBJDCHODI-AWEZNQCLSA-N	318.373	1.800	50	20	DDGD	
CC(C)n1ccc(CNC(=O)NNc2cncc(Cl)n2)n1	739051523	IUAVGRYHPGGGKA-UHFFFAOYSA-N	309.761	1.734	50	20	DDGD	
COC(=O)[C@]1(C)CCN(C(=O)[C@]2(C)C[C@H]2Br)C1	906992158	OLBLYBNYUIDCNU-GGZOMVNGSA-N	304.184	1.572	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCCc3sccc32)c(F)c1	585036055	CTIMIZWUVFGNAW-CQSZACIVSA-N	305.183	1.734	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1CCc2cc(F)ccc21	825761376	KLCYSYWYMKRPLT-WFBYXXMGSA-N	321.352	1.568	50	20	DDGD	
C=CC[C@H]1N(C(=O)c2cccc(B(O)O)c2)CCCC1(C)C	584983713	ZWDIVDKRCZPBBS-OAHLLOKOSA-N	301.195	1.573	50	20	DDGD	
CC(C)Cn1cccc(C(=O)NN[C@@H](C)C(F)(F)F)c1=O	826941939	LGZYVAFOQJSLPF-VIFPVBQESA-N	305.300	1.690	50	20	DDGD	
C[C@H]1CCC[C@H]1CC(=O)NNC(=O)CNC(=O)OC(C)(C)C	495463592	LXOWKZLDPIBVPC-QWRGUYRKSA-N	313.398	1.485	50	20	DDGD	
COCCN(C)NC(=O)c1ccc2c(c1)N[C@@H](C)CC(=O)N2	908115709	SQMRGYLULIWEKH-JTQLQIEISA-N	306.366	1.052	50	20	DDGD	
CCCCCOC1CN(C(=O)/C(C#N)=C\c2cnn(C)c2)C1	491128851	FTUQVQNFHUUYID-AUWJEWJLSA-N	302.378	1.745	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cccc(Cl)c1)C1CCC1	738312413	MZQBEGHODWSHCQ-UHFFFAOYSA-N	309.797	1.975	50	20	DDGD	
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)C1CCCC1	491005076	APAFQJINHJBQPK-NSHDSACASA-N	313.398	1.627	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@H](C1CC1)[C@@H](CO)C1CC1	832232718	RIZJOQFRNCMRFH-QWHCGFSZSA-N	309.859	1.722	50	20	DDGD	
CCN1C[C@H](NC(=O)NNc2c(F)cccc2Cl)CC1=O	838676644	SIRJDVNCBGQSJG-MRVPVSSYSA-N	314.748	1.726	50	20	DDGD	
CCc1nncn1CCNC(=O)[C@]1(C)C[C@H]1Br	906768487	VXKRKGZAYVCZHA-LDYMZIIASA-N	301.188	1.130	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H](C)Cc1cnn(C)c1	837653858	QFWWZJXOTYKKCW-LLVKDONJSA-N	317.349	1.959	50	20	DDGD	
CC(C)CCCCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	837659563	YNQWRHBISFDUHY-CYBMUJFWSA-N	304.456	1.695	50	20	DDGD	
CCn1cc(C=NNC(=O)C(=O)Nc2ccc(C)c(C)c2)cn1	732528441	KCGLEHLUYANZKB-UHFFFAOYSA-N	313.361	1.609	50	20	DDGD	
O=C(O)NCCC(=O)NNC(=O)c1cccc2ccccc12	738658092	VWHDTNIQKDDYLD-UHFFFAOYSA-N	301.302	1.259	50	20	DDGD	
O=C(NN=C1CCN(Cc2ccccc2)C1)[C@H]1CCCCO1	834987694	AFTYDBQDMVLGHH-MRXNPFEDSA-N	301.390	1.934	50	20	DDGD	
C[C@H]1CCCC[C@H]1CCNC(=O)NNC(=O)C(=O)N1CCCC1	734071507	LZCSUPANEKMPOT-STQMWFEESA-N	324.425	1.156	50	20	DDGD	
Cc1ccc(O)c(C(=O)NNC(=O)COc2ccccc2O)c1	730836654	USXSXAGZZBPTTB-UHFFFAOYSA-N	316.313	1.246	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H]2CCOC3(CCC3)C2)nn1	836580780	PQRSWERZURQCCB-GFCCVEGCSA-N	305.382	1.760	50	20	DDGD	
C[C@H]1[C@@H](NCc2ccc(B(O)O)cc2)CCN1Cc1ccccc1	585041443	PGNOKTRSOZSBMV-KXBFYZLASA-N	324.233	1.119	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)[C@H]1CCCc2nn[nH]c21	831749905	KXZZEGGDAXTZKJ-NSHDSACASA-N	308.345	1.916	50	20	DDGD	
CN(C(=O)O)c1ccc(NC(=O)NNC(=O)C2CCC2)cc1	833685397	MENGRJOIOMDNFK-UHFFFAOYSA-N	306.322	1.754	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](C)c1c(F)cccc1F	731282173	IZKWSWKCQMUINQ-QMMMGPOBSA-N	301.293	1.393	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)[C@@H]1CCCN1c1ccccc1	833235623	HXGNZXNISGDMLY-LSDHHAIUSA-N	317.389	1.372	50	20	DDGD	
CO[C@@H]1CCC[C@H](C(=O)NNc2cc(O)nc3ncccc23)C1	913989787	QCRGAYBDKNYFAL-WDEREUQCSA-N	316.361	1.984	50	20	DDGD	
CC(=NNC(=O)C(C)C)c1ccc(S(=O)(=O)N(C)C)cc1	916327500	CNAYDLOKMBTLBH-UHFFFAOYSA-N	311.407	1.433	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)C(C)(C)Nc1ccccc1	911503719	VWJKJFDEXUVXFZ-DGCLKSJQSA-N	305.378	1.450	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H]2CCC=CO2)c1F	838567471	SIKUXLLVDXLXHM-JTQLQIEISA-N	323.324	1.931	50	20	DDGD	
CCOc1ccc(OC(C)(C)C(=O)NN(C)CCOC)cc1	837623171	YVPXINIASIXCPM-UHFFFAOYSA-N	310.394	1.852	50	20	DDGD	
CCC(=O)N1CCC[C@@H](C(=O)NNc2ncc(F)cc2F)C1	837206482	LLKZWPFVZPKWDZ-SECBINFHSA-N	312.320	1.452	50	20	DDGD	
O=C(NNC(=O)c1cccc2cc[nH]c12)c1ccc2c(c1)OCO2	742473195	WRUBRJPARRIPGJ-UHFFFAOYSA-N	323.308	1.971	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1CCN2CCC[C@H]2C1	916573899	SGPHYYQUNFUOSV-KBPBESRZSA-N	316.405	1.566	50	20	DDGD	
CC(=O)N[C@@H](C(C)=NNC(=O)C(C)(C)O)c1ccccc1F	841636966	DERMSRPPWWSXNN-ZDUSSCGKSA-N	309.341	1.266	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1Cl)[C@H]1CCS(=O)(=O)N1	845856383	JPSZKUIRFMXTFR-MRVPVSSYSA-N	324.189	1.128	50	20	DDGD	
CCn1ncc(C=NNC(=O)[C@H](C)CN2CCCCCC2)n1	841614365	NEVSHFFQRNCQDB-CYBMUJFWSA-N	306.414	1.260	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccc[nH]1)c1c(F)cccc1F	918102611	ZCSCHFOPQNRJGR-MRVPVSSYSA-N	308.288	1.998	50	20	DDGD	
Cc1cccc(=O)n1C[C@](C)(O)C(=O)N(C)CC(Cl)Cl	848083160	MLCWKJBAOQRQGD-ZDUSSCGKSA-N	321.204	1.170	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC[C@H](C)c1ccc(OC)cc1	745850104	GHSJTSYPTAKUNB-LBPRGKRZSA-N	323.393	1.556	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccccc1Oc1ccncc1	910155925	JYOKKKBWXHJSGF-LBPRGKRZSA-N	301.346	1.831	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1cc(Cl)ccc1O	916358968	BEUGZSPUZNKSOL-UHFFFAOYSA-N	309.753	1.508	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	743845533	QSBMFKAQEOGQHV-CQSZACIVSA-N	321.396	1.841	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cnc([C@H]2CCCO2)s1	842561023	IJBVZKYCJUKGEC-ZMLRMANQSA-N	309.391	1.870	50	20	DDGD	
CCC(CC)(CO)C(=O)NNc1ccc(C(=O)OC)c(F)c1	848208143	CCCCYJYUXLZZAT-UHFFFAOYSA-N	312.341	1.854	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cnn3ccccc23)n1	748335195	NYXFFQJEHACALH-UHFFFAOYSA-N	302.725	1.843	50	20	DDGD	
O=C(NCc1nnc2n1CCC2)NNc1ccc(Cl)cc1F	913979398	QQRRJJPQLXYOID-UHFFFAOYSA-N	324.747	1.843	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1Cc2ccc(Cl)cc2C1	748260857	ZDZNKYJNZIAATB-JTQLQIEISA-N	310.781	1.962	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1cc(C(=O)O)ccc1C(C)C	917719490	DBGLIFGWIAPURB-UHFFFAOYSA-N	314.363	1.228	50	20	DDGD	
CC1(OCC(=O)NNc2ccccc2S(C)(=O)=O)CCC1	746239290	DOXXMPUIQXUXNS-UHFFFAOYSA-N	312.391	1.492	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)NCC1CNC1	841965591	YKUMFOYUSADIGB-UHFFFAOYSA-N	320.437	1.143	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](NC(=O)NNc2cc(F)c(F)cc2F)C1	840451990	HNCRDWJHLTXZPU-KNVOCYPGSA-N	317.267	1.682	50	20	DDGD	
COc1cc(OC)c(C=NNC(=O)[C@H]2CCCCO2)cc1F	844599744	AOEGJUJQYGYBFC-GFCCVEGCSA-N	310.325	1.862	50	20	DDGD	
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NNC(=O)c2ncccn2)o1	841354310	MAHTXLHXEKBPJR-PWSUYJOCSA-N	314.345	1.587	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)C1CCCC1)c1ccccc1	916271501	VBXSSEIWHCPMQT-CQSZACIVSA-N	305.378	1.895	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)CNC(=O)c1ccco1)C(C)(C)C	742611907	FSXJHKRLLRYLAB-CSKARUKUSA-N	307.350	1.149	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)COc2ccccc2C#N)[C@H]1OC	841609181	SKEBZYIEFDGWBH-GDBMZVCRSA-N	317.345	1.233	50	20	DDGD	
C[C@H](CC(=O)NN(C)C1CC1)n1cc(Br)cn1	843908549	ONUOYIIBERFTOW-MRVPVSSYSA-N	301.188	1.722	50	20	DDGD	
COc1ncc(C(=O)NNC(=O)c2ccc(Cl)cc2F)cn1	747330438	VLXXUKRDJAJUBE-UHFFFAOYSA-N	324.699	1.353	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cc2ccc(F)cc2)s1	749336529	PZWLXWPBZFMBOJ-UHFFFAOYSA-N	303.318	1.763	50	20	DDGD	
Cc1cc(F)c2c(c1)C(=NNC(=O)[C@@H]1CCO[C@@H]1C)C(=O)N2	842555332	KFMOLEOIGACJIT-RKDXNWHRSA-N	305.309	1.332	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(-n3cnnn3)c(C)c2)cc1	746885648	BEKJFZUXMNYFAJ-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H](C)COCC2CC2)n1	845585590	GMYIGBVFIWGISA-NSHDSACASA-N	306.366	1.149	50	20	DDGD	
O=C1CCN1c1ccc(OS(=O)(=O)CBr)cc1	851811838	YCYCEOQVWMDESH-UHFFFAOYSA-N	320.164	1.484	50	20	DDGD	
CCOc1cn(-c2ccccc2)nc1C(=O)NNc1ccncn1	857520926	TYYHRAMSVLKAKT-UHFFFAOYSA-N	324.344	1.818	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cc2cnn(C)c2C)c1C	855624416	NFYOSWNQZNOZNN-UHFFFAOYSA-N	316.361	1.509	50	20	DDGD	
O=C(NN=C1CCc2ccccc2C1)[C@@H]1CN2CCC[C@@H]2CO1	853388514	LFMXRDNBYVMOTO-SJORKVTESA-N	313.401	1.511	50	20	DDGD	
CCc1nn(C)c(OC)c1C=NNC(=O)c1cccc(F)n1	853445224	XDTCXJCJUZXADL-UHFFFAOYSA-N	305.313	1.289	50	20	DDGD	
C[C@H](C(=O)NNc1nc(-c2ccccc2)no1)[C@H]1CCC(=O)N1	859316176	ODHVCFCRIIKCFZ-GXSJLCMTSA-N	315.333	1.094	50	20	DDGD	
CC(=O)N1CCC(=NNC(=O)NCC2CC2)c2ccccc21	857206911	LIVNCTPGNZGPFK-UHFFFAOYSA-N	300.362	1.857	50	20	DDGD	
CCN(CC(=O)NNc1ccccc1S(C)(=O)=O)C1CC1	750915459	XBAGFMOELKYXDG-UHFFFAOYSA-N	311.407	1.018	50	20	DDGD	
C[C@@]1(CNC(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H]1Br	857399667	SGPKJVHOPULCAB-XVKPBYJWSA-N	317.143	1.081	50	20	DDGD	
O=C(NN=C[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccc(-n2cnnn2)cc1	755570205	VTCDRLLXCBKDDL-UBHSHLNASA-N	308.345	1.590	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc(C2OCCO2)cc1	854682658	DKTNGTOQQKQJKM-ZDUSSCGKSA-N	320.345	1.062	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)OC(C)(C)C)c1cnc[nH]1	853325928	ODPCQRFFYUTVEA-UHFFFAOYSA-N	309.370	1.555	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1	756015560	UVQLDFPHFFOWJK-UHFFFAOYSA-N	324.768	1.795	50	20	DDGD	
Cn1nc2c(c1C(=O)NNc1cc(Cl)nc(N)n1)CCCC2	753454101	GJBFKGSXJAQSCR-UHFFFAOYSA-N	321.772	1.081	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cnn(CC(C)C)c2C)n[nH]1	757800770	FKWRIVYCPUJMAK-UHFFFAOYSA-N	319.369	1.346	50	20	DDGD	
CC(C)(C)n1nnc(C=NNC(=O)c2ccc(Cl)cc2F)n1	853315298	ZKYBPUXWFQPXNK-UHFFFAOYSA-N	324.747	1.985	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1ccc(-n2cccc2)nc1	753274168	NRPUNZYPCRSIDH-UHFFFAOYSA-N	307.313	1.342	50	20	DDGD	
CSSCCNC(=O)NNC(=O)c1cccc(F)n1	852316011	ZNLUPIKNPHEUDB-UHFFFAOYSA-N	304.372	1.176	50	20	DDGD	
Cc1ncc(C(=O)OC[C@@H](CBr)C2CC2)c(N)n1	859595674	KSOKMLQRCVIVCN-SECBINFHSA-N	314.183	1.945	50	20	DDGD	
CNC(=O)CCCC(=O)OC[C@@H](CBr)C1CC1	859645520	DWTBPIUWCXSQJH-SNVBAGLBSA-N	306.200	1.867	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC(=O)N(C)CC1	855914347	MTZPYPPBJORPGE-UHFFFAOYSA-N	312.801	1.043	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC2CC(C)C2)cc1OC	856821265	NOXRMYMHOKYQER-UHFFFAOYSA-N	321.377	1.694	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H]1CCCN1Cc1ccc(F)cc1	854924765	QVRACIJNYRDOKQ-CYBMUJFWSA-N	324.425	1.257	50	20	DDGD	
COC/C=C\C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	867852215	DIYOQJSFNVVKEY-ISGFRBBESA-N	312.753	1.457	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2C[C@@H]2OCC)c1	865271330	DBGPXIGHGYEUPI-OLZOCXBDSA-N	303.387	1.411	50	20	DDGD	
O=C(NCC(F)F)C(=O)NNc1ncc(Cl)cc1Cl	768217171	YGEVSZCFBOZVJY-UHFFFAOYSA-N	313.091	1.213	50	20	DDGD	
CSC1CCN(C(=O)NNC(=O)c2cccc(C)n2)CC1	868562235	FAMCIVDXAQSAGR-UHFFFAOYSA-N	308.407	1.572	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNc1cccc(Br)c1	866867827	WLAVXAQIYWIDQH-NSHDSACASA-N	314.183	1.807	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OC[C@H]1CC2(CC2)C(=O)O1	763195575	LQGBQXHTZURBAY-YRBHFNIASA-N	313.309	1.938	50	20	DDGD	
CCOC(=O)N1CSC[C@@H]1C(=O)NCC(Cl)Cl	935967980	MFJMHFVQILSXLS-ZCFIWIBFSA-N	301.195	1.438	50	20	DDGD	
CC(C)(C)NCCC(=O)NNC(=O)c1cccc2ncccc12	932187120	LVZUQCKZYWWBJO-UHFFFAOYSA-N	314.389	1.774	50	20	DDGD	
C[C@@H](C[C@H]1CCOC1)NC(=O)NNC(=O)c1ccccc1O	760192251	IAOZPMUARZDLCK-WDEREUQCSA-N	307.350	1.151	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CNc2ccccc2Cl)n[nH]1	768277462	SSZWXBCKYYBSDJ-UHFFFAOYSA-N	307.741	1.245	50	20	DDGD	
CSc1ccc(NC(=O)C(=O)NNC(=O)C2CCCC2)cn1	764067925	CODLEVHODAAIKZ-UHFFFAOYSA-N	322.390	1.080	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)Cc2ccccc2C)c(C)n1	860128797	ROUCIKQSJYUVQS-UHFFFAOYSA-N	300.362	1.524	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2csc(Br)c2)N1	863146716	YJVZFSFAVCNZHO-ZETCQYMHSA-N	316.180	1.239	50	20	DDGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNC(=O)Cc2cc(C)[nH]n2)C1	869016793	QPNQSKXFENIMAX-DGCLKSJQSA-N	308.382	1.003	50	20	DDGD	
CCCn1cccc1C=NNC(=O)CNC(=O)c1cccnc1	763196041	RENIQNMQQZTVHM-UHFFFAOYSA-N	313.361	1.173	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NNc1cc(C#N)cc(Cl)n1	769078131	MURBAVHKUAQCKU-SNVBAGLBSA-N	323.784	1.018	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NNCC(F)(F)C(F)(F)F	863094128	DVZZFADZHGNPAR-MRVPVSSYSA-N	317.258	1.206	50	20	DDGD	
C[C@H](CBr)COC(=O)c1cc2n(n1)CCCO2	763365535	YNHUMYRURKCGKQ-MRVPVSSYSA-N	303.156	1.853	50	20	DDGD	
C[C@H](NNC(=O)Cc1ccc(OCC#N)cc1)C(F)(F)F	862314047	UIZZFFHCHJTFOD-VIFPVBQESA-N	301.268	1.703	50	20	DDGD	
COc1ccccc1CC(=NNC(=O)[C@@H]1CCC(=O)N1)C(C)C	863148436	BUKQNPVBXWSTSQ-ZDUSSCGKSA-N	317.389	1.645	50	20	DDGD	
C/C=C(\C)C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	763177967	VHXPZXHJZPNHDI-YCRREMRBSA-N	302.309	1.943	50	20	DDGD	
CN(CCOC(C)(C)C)CC(=O)NNC(=O)c1cccs1	767905349	LSMGTVSIOHSENH-UHFFFAOYSA-N	313.423	1.256	50	20	DDGD	
Cn1c(=NNC(=O)c2cnc3[nH]cnc3c2)sc2ccccc21	763276115	PSFDAWDXTIBGLT-UHFFFAOYSA-N	324.369	1.757	50	20	DDGD	
O=C(CO[C@@H]1CCOC1)NNC(=O)c1ccc2ccccc2c1	1116206095	VWKHJYFCVKUBHJ-OAHLLOKOSA-N	314.341	1.406	50	20	DDGD	
Cc1ccccc1OCCC(=O)NNc1nncc(N)c1Cl	1116292595	OGRQAVOSNVLATM-UHFFFAOYSA-N	321.768	1.933	50	20	DDGD	
C=C(C)COc1cc(C=NNC(=O)C[N+](C)(C)C)ccc1OC	1116872183	YSTIZCPYBBTIRO-UHFFFAOYSA-O	320.413	1.806	50	20	DDGD	
O=C(NNc1cccnn1)N[C@@H]1CC[C@H]2SCCS[C@@H]12	762635292	VOSGCSPIRFGLRX-KKZNHRDASA-N	311.436	1.482	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(C(=O)NC2CC2)cc1	878107602	ZSELGYQJHANMOB-UHFFFAOYSA-N	306.322	1.314	50	20	DDGD	
CCOc1cc(F)ccc1NC(=O)NNC(=O)C1CCNCC1	1117953435	GXUFZOFNDONCDG-UHFFFAOYSA-N	324.356	1.377	50	20	DDGD	
Cc1cc(C)n(CCCNC(=O)NN=c2cc[nH]c(C)c2)n1	874991784	NTQMAQGQFFAWBL-UHFFFAOYSA-N	302.382	1.342	50	20	DDGD	
CCOc1cnc(C(=O)NNc2oc(C(C)C)nc2C#N)cn1	778618120	IRJGXSXTSHOAGE-UHFFFAOYSA-N	316.321	1.615	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@@H](C)N(C)C)ccc1OC(C)C	873808415	MHNGLNAZHPZRQH-LLVKDONJSA-N	323.393	1.194	50	20	DDGD	
C#CCNC(=S)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	773189618	APDVDIHUTMJIGQ-SECBINFHSA-N	311.794	1.236	50	20	DDGD	
CCN(Cc1ccccc1NC(=O)NN(C)C(=O)OC)C(C)=O	878217708	PXIDPARADVFZPE-UHFFFAOYSA-N	322.365	1.790	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)n1	875350357	MJCVSJDCCTUBKV-NSHDSACASA-N	305.382	1.416	50	20	DDGD	
CCCn1cc(C=NNC(=O)COc2ccc(C)cc2)nn1	872331999	CTJRXYNOBTVIQL-UHFFFAOYSA-N	301.350	1.526	50	20	DDGD	
COC(OC)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	873781096	UZOGYBCXXXJQTD-UHFFFAOYSA-N	310.394	1.359	50	20	DDGD	
C[C@@]1(CNCc2ccc(S(N)(=O)=O)o2)C[C@@H]1Br	877648181	XBSLBXXIKPMLTB-WPRPVWTQSA-N	323.212	1.190	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)c1c[nH]c2cc(F)ccc12	878250630	LWTCPNKJNDYLQQ-UHFFFAOYSA-N	305.309	1.683	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C(C)(C)CO)cc1	776318177	QBSPIZRJYWRFMZ-LLVKDONJSA-N	324.377	1.019	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CCO1	776296572	DKKSRPRLILJBKR-ZYHUDNBSSA-N	320.345	1.034	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(Cl)c(N)c1	771887933	BJABXQHTWNXDNT-ZETCQYMHSA-N	313.741	1.025	50	20	DDGD	
N#Cc1cc(O)cc(C(=O)NNC(=O)Cc2ccc(F)cc2)c1	776319319	BYUOOUGEVYKIBN-UHFFFAOYSA-N	313.288	1.407	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)CCCCl)C[C@@]2(CCO[C@@H]2C)O1	882140772	QBEXALOHRJIQPI-IJLUTSLNSA-N	311.831	1.213	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCCCc1ccccc1	885620294	HKROYUFDNXQYEH-CYBMUJFWSA-N	320.389	1.889	50	20	DDGD	
O=C(CNS(=O)(=O)CCCCl)Nc1cccc(F)c1	881844727	RXLKODAVMXXQMD-UHFFFAOYSA-N	308.762	1.313	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cnc(C)s2)cc1	783038042	ZAFHUDUADJMHCX-UHFFFAOYSA-N	306.347	1.542	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=O)NC1CCCCC1	780158278	CKRQJPBZQVDWMZ-FRRDWIJNSA-N	310.442	1.911	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCCCn1cnc2c(N)ncnc21	786670394	QPNMFDRMVIJLFL-IZZDOVSWSA-N	312.333	1.202	50	20	DDGD	
CCCCNC(=O)NNC(=S)NCCc1ccc(F)cc1	789208111	IMYHRARAVIDAAO-UHFFFAOYSA-N	312.414	1.847	50	20	DDGD	
COC1CCC(C(=O)NNc2nc(-c3ccncc3)no2)CC1	780547562	HZINTPFAFLJAKF-UHFFFAOYSA-N	317.349	1.780	50	20	DDGD	
C[C@@](O)(CNS(=O)(=O)CCCCl)c1ccc(F)cc1	882021575	CGWPFVLZNWZIKC-GFCCVEGCSA-N	309.790	1.582	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1CCCN(CC(F)(F)F)C1	887141822	KGUQNGOXBKZDJX-LLVKDONJSA-N	319.327	1.212	50	20	DDGD	
Cc1nn(C(C)(C)C)cc1C(=O)NNC(=O)CC(F)(F)F	784618762	ZTDLKUWLSKHCDG-UHFFFAOYSA-N	306.288	1.660	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1nnc2ccccc2c1O	899995153	JVDCBIHIGWYRKX-UHFFFAOYSA-N	319.390	1.243	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2cc(C)no2)c1	780828570	SKKNCNXWOQICKX-UHFFFAOYSA-N	304.306	1.596	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)c2cccc(OC(F)F)c2)CO1	784092714	AVIMBDFVZHQCJU-WPRPVWTQSA-N	314.288	1.474	50	20	DDGD	
COC[C@H](C)NC(=O)NNC(=O)c1ccc(Cl)cc1Cl	890158293	CWFRPHJNPVOETP-ZETCQYMHSA-N	320.176	1.972	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@](C)(O)CCc1ccccc1	899997340	POTLMAXIQLYIIR-MRXNPFEDSA-N	323.462	1.664	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@@H](Br)C(C)(C)C)C[C@H](CO)O1	787470756	FCCPBRHJGAQSHX-OPRDCNLKSA-N	308.216	1.404	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1cc(F)cc(F)c1	788179333	ZNSHPKCLRJCJQF-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
CC(=O)CSCC(=O)NNc1ccc(C(F)(F)F)nn1	787468888	JCTHXPJSAOAWHX-UHFFFAOYSA-N	308.285	1.261	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1ccccc1SC	782478813	UZAVCEGSFHBTDP-UHFFFAOYSA-N	303.409	1.263	50	20	DDGD	
COCCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)COC)o1	899341570	DAQDJARAJLJTSR-HQQGHWSLSA-N	308.334	1.363	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NC/C=C/Cl	899057099	KBSKYHHQSKQGSN-VMPITWQZSA-N	311.769	1.711	50	20	DDGD	
CN1CCC[C@@H]1c1cc(C(=O)NNc2cccc(F)n2)n[nH]1	897750067	GFYRTPLCQBHLKQ-LLVKDONJSA-N	304.329	1.467	50	20	DDGD	
CO[C@H]1CCC[C@@H](CC(=O)NNC(=O)NCC(F)(F)F)C1	798126271	YXSOLACKUWWCDV-BDAKNGLRSA-N	311.304	1.474	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)c1occ2c1CCC2	794766129	CFANYFTYKIYYND-UHFFFAOYSA-N	324.340	1.579	50	20	DDGD	
CC(=O)NNC(=O)c1cnn2c1N[C@@H](C1CC1)C[C@H]2C(F)F	1136045567	FCXGPQFBPLXUCT-ZJUUUORDSA-N	313.308	1.064	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N(CCO)CC(F)F	794047240	YFRCINZPQCLFTC-MRVPVSSYSA-N	302.159	1.882	50	20	DDGD	
N#Cc1ccc(C(=O)NNS(=O)(=O)c2ccsc2)cc1	795306534	WKNBLLDHUMLZAG-UHFFFAOYSA-N	307.356	1.243	50	20	DDGD	
CSSCCNC(=O)NCCN(C)CC(F)(F)F	790712815	FIJNARVLXCDHSP-UHFFFAOYSA-N	305.391	1.791	50	20	DDGD	
Cc1cccnc1NNC(=O)Cc1ccc([S@](C)=O)cc1	798001773	RDLLJZJPGQNHOH-NRFANRHFSA-N	303.387	1.813	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1cn2c(n1)CCCC2	799523985	GKPUZCUWRMHVMM-UHFFFAOYSA-N	323.356	1.776	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Nc1cncc(F)c1	799235952	PHSYAJQAQQHYKW-UHFFFAOYSA-N	318.308	1.625	50	20	DDGD	
CCc1ncncc1C(=O)NNc1cccc(F)c1[N+](=O)[O-]	791069942	UYGHOIXELVQQIB-UHFFFAOYSA-N	305.269	1.843	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1cc(C)n(C)n1	799866617	MWRCGPNRXIPMEM-HNNXBMFYSA-N	314.345	1.409	50	20	DDGD	
O=C(CO[C@H]1CCOC1)NNc1cccc(C(F)(F)F)n1	1319358910	AEHQVTYMEDTFNN-QMMMGPOBSA-N	305.256	1.349	50	20	DDGD	
Cc1nccn1CCCC(=O)NNc1nncc(N)c1Cl	1319215375	NQFXEKSTOCRDJY-UHFFFAOYSA-N	309.761	1.141	50	20	DDGD	
O=C(CCl)NCc1nc2cc(Br)cnc2[nH]1	1319785453	BDFYOGDPLXIVOY-UHFFFAOYSA-N	303.547	1.575	50	20	DDGD	
CC1=CCN(C(=O)C(=O)NC[C@@]2(C)C[C@H]2Br)CC1	1328546873	FTHNXCQZZVVKIX-ZWNOBZJWSA-N	315.211	1.455	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@@](O)(C3CC3)C2)C[C@@H]1Br	1328573053	HRUBHVSEZQNAOI-UHTWSYAYSA-N	317.227	1.716	50	20	DDGD	
O=C(CO[C@H]1CCOC1)NNc1cc(C(F)(F)F)ccn1	1324745145	KFCJYBNEQAIUAO-VIFPVBQESA-N	305.256	1.349	50	20	DDGD	
Cc1cc(C=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)ncn1	1324430062	JICJJEQOUQQMHY-UHFFFAOYSA-N	300.278	1.039	50	20	DDGD	
Cc1nn(-c2ccccn2)c(Cl)c1C=NNC(=O)CCO	1327842531	JMSOXDKJNPPQIR-UHFFFAOYSA-N	307.741	1.062	50	20	DDGD	
O=C(NN=Cc1ccc2c(c1)CCC2)[C@H]1CCS(=O)(=O)C1	1329989837	KHQJAZVHTIMOOL-AWEZNQCLSA-N	306.387	1.060	50	20	DDGD	
Cc1ccc(Cl)c2c1NC(=O)C2=NNC(=O)C1CCOCC1	1330905420	XJVQONMIKLPHED-UHFFFAOYSA-N	321.764	1.847	50	20	DDGD	
Cn1nc2c(c1C(=O)NNc1nncc(N)c1Cl)CCCC2	1333508781	OTIYUUDFTFDMMY-UHFFFAOYSA-N	321.772	1.081	50	20	DDGD	
Nc1cnnc(NNC(=O)c2nc3cnccc3s2)c1Cl	1331426300	RNHDTHFQHPIJAW-UHFFFAOYSA-N	321.753	1.474	50	20	DDGD	
C=CCN(C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br)C(C)C	1261769919	JXZAILRBFOFTIE-GWCFXTLKSA-N	317.227	1.699	50	20	DDGD	
C[C@]1(COC(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1Br	1344035694	KUDZAYJROKXQQL-LDYMZIIASA-N	301.140	1.444	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cc2c(o1)CCCC2	1263817913	HSPMPSRLZITUNJ-UHFFFAOYSA-N	305.256	1.665	50	20	DDGD	
COCc1cnc(NC(=O)C(=O)NNc2cc(C)ccn2)s1	1342428128	STMMLGXCLHNBAJ-UHFFFAOYSA-N	321.362	1.075	50	20	DDGD	
CC(C)c1[nH]ccc1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1345367227	JPSOBKHXIWAZDY-UHFFFAOYSA-N	315.377	1.815	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC[C@@H](c2nn[nH]n2)C1	1347198925	TUNKNZUMHHJUQT-SFYZADRCSA-N	316.203	1.325	50	20	DDGD	
C[C@H](NNC(=O)[C@H]1CCCN(CC(F)F)C1)C(F)(F)F	1351998046	FBMOOJVIOXZSMK-YUMQZZPRSA-N	303.275	1.535	50	20	DDGD	
O=[N+]([O-])c1ccc2c(c1)CN(S(=O)(=O)CBr)C2	1116534612	SUUDLSZIWHURKB-UHFFFAOYSA-N	321.152	1.593	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2cccc(C(=O)O)c2F)CCN1	1609844452	KRZURCOCEOJVMR-IUCAKERBSA-N	310.329	1.291	50	20	DDGD	
CCCN1CCC[C@H]1C(=O)NNc1ccc(C(=O)O)cc1F	1609978514	KYYPISFIZNDSEK-ZDUSSCGKSA-N	309.341	1.841	50	20	DDGD	
Cc1ccc(C(=O)O)cc1NC(=O)C(=O)NNc1ccccn1	1600350189	AIYPNVJTKRKKFK-UHFFFAOYSA-N	314.301	1.170	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccc(C(=O)O)cc2F)n1	1606069165	YDIKTJUPIYUOAU-UHFFFAOYSA-N	319.296	1.137	50	20	DDGD	
Cc1ccc(NNC(=O)CCCC(=O)NC(C)C)cc1C(=O)O	1607809780	CZEOZLAZAWQEOS-UHFFFAOYSA-N	321.377	1.831	50	20	DDGD	
C[C@H](C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1CCC1	1603019684	NRAGHCPCGTWJFW-ZETCQYMHSA-N	321.772	1.794	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)[C@H]1C[C@H]1C(=O)O	1608484182	MSUMGXJIBHNZCF-NKWVEPMBSA-N	300.112	1.008	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)Nc1n[nH]c(CC(=O)O)n1	1603302584	KCNVFZKIZZLURF-SSDOTTSWSA-N	319.159	1.180	50	20	DDGD	
O=C(NCc1cccnn1)NNc1ccc(F)c(C(=O)O)c1	1608472322	SCXXJYOVDJEOFB-UHFFFAOYSA-N	305.269	1.140	50	20	DDGD	
O=C(O)C1(C(=O)NNc2ccc(F)c(Cl)c2)CCOCC1	1605935151	BMLREPMTCDWABK-UHFFFAOYSA-N	316.716	1.804	50	20	DDGD	
O=C(O)Cc1cccc(NC(=O)NNc2ncc(Cl)cn2)c1	1606312290	FZTXIWDOHRMASY-UHFFFAOYSA-N	321.724	1.906	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=CC[C@@H](C)C(=O)O	1610561334	CEWQJHYYGMAJMM-SNVBAGLBSA-N	302.334	1.558	50	20	DDGD	
COC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(F)F)C2	1802274026	UJVDKZUWQIQPMB-JXUBOQSCSA-N	324.755	1.144	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1csc(C)n1	1549315916	DAAQRDXRPBRLBW-DGCLKSJQSA-N	308.407	1.155	50	20	DDGD	
COCC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)C1CCCC1	1549322543	ZXOWHKTXYDEDHI-DZGCQCFKSA-N	309.410	1.158	50	20	DDGD	
CCCNNC(=O)c1cc(Cl)c([N+](=O)[O-])cc1NC(C)=O	1577575000	YTJIEKFJWYETTD-UHFFFAOYSA-N	314.729	1.851	50	20	DDGD	
CC[C@H](C)[C@H](N)C(=O)NNC(=S)Nc1ccc(C)cc1C	1578231048	ZKHRDMCXTPXMGX-GWCFXTLKSA-N	308.451	1.994	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H](F)[C@H]2CCNC2)cc1C	1579723112	ZDCDLWPGIRWVJQ-WCQYABFASA-N	324.425	1.569	50	20	DDGD	
C=CCCC[C@@H](N)C(=O)NNc1ccc(Br)nc1	1574908522	QVEKFHPCFDFHSG-SNVBAGLBSA-N	313.199	1.971	50	20	DDGD	
CC(C)Cc1ccccc1C(=O)NNC(=O)[C@@H]1CCCNC1	1575654795	DDMDXWAKLCJIES-CQSZACIVSA-N	303.406	1.646	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)[C@H]1CNCCC12CCC2	1580739293	CEEDGEBHXNSISR-LLVKDONJSA-N	322.340	1.957	50	20	DDGD	
CC(C)OCCCNC(=O)NNc1cccc(-c2nn[nH]n2)c1	1589748347	PJZCXCPLLVGUAS-UHFFFAOYSA-N	319.369	1.308	50	20	DDGD	
N#CCCCC[C@H](N)C(=O)NNC(=O)c1cccc(Cl)c1	1580050918	RHWQILQZBYYAKZ-LBPRGKRZSA-N	308.769	1.512	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1ccc(C)c(C(=O)O)c1)C(C)C	1589100021	CZRLZADEZNYSIO-ZDUSSCGKSA-N	307.350	1.297	50	20	DDGD	
NOCCCNC(=O)[C@]1(c2ccccc2)C[C@@H]1Br	1580359187	ORONCKGEULMCRK-AAEUAGOBSA-N	313.195	1.488	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)CCn1cccn1	1599377145	MDQOXPCIESQWJV-UHFFFAOYSA-N	304.306	1.123	50	20	DDGD	
C[C@@H](OC(=O)/C(C#N)=C/c1cnn(C)c1)c1ccc(C(=O)O)o1	1593480377	ASJVJRAPYKLBJN-JTTRITNRSA-N	315.285	1.923	50	20	DDGD	
Cc1cccc(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)c1O	1592226514	IWTBRJOKJQEQQR-UHFFFAOYSA-N	322.328	1.645	50	20	DDGD	
CO[C@@]1(C(=O)O)CCN(/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)C1	1599069307	TVWFIICWHWJJEG-OEWWAVFSSA-N	317.301	1.635	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)Nc1cccnc1Cl	1594782028	OJSBBILOALJDCX-UHFFFAOYSA-N	307.697	1.977	50	20	DDGD	
CCC(=NNC(=O)c1ccc(C(=O)O)cc1)c1ccn(C)n1	1776100330	BWHKFUBNOWFHEH-UHFFFAOYSA-N	300.318	1.662	50	20	DDGD	
COc1ccc(C)c(C=NNC(=O)c2cccnn2)c1C(=O)O	1776103719	XAHCFSXRUMEPJO-UHFFFAOYSA-N	314.301	1.256	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)O)C2	1793684520	FFQKJDXRAWUXIH-IEECTRCBSA-N	316.829	1.413	50	20	DDGD	
Cc1nnc(NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)nc1O	11334988	WAJFLFZUCPHMKU-SSDOTTSWSA-N	319.390	1.829	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CNC(=O)c2ccc(F)cc2)n1	14514286	CKFRCCSDAFFHFP-UHFFFAOYSA-N	317.324	1.106	50	20	DDGD	
C=CCNC(=S)NNC(=O)COc1ccccc1C(C)C	14569409	SXYXNBHOPQEWOQ-UHFFFAOYSA-N	307.419	1.870	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1cc(=O)c2ccccc2o1	17573439	FDXFBPMTSVJTTN-UHFFFAOYSA-N	324.292	1.573	50	20	DDGD	
CNC(=O)NNC(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1	161606866	RTTYFMBYYFLUOG-UHFFFAOYSA-N	320.393	1.379	50	20	DDGD	
C[C@H](OC1CCCCCC1)C(=O)NNC(=O)Cc1cccnc1	153477496	QAEMYLVXIQESEG-ZDUSSCGKSA-N	319.405	1.899	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc(C(C)(C)C#N)cc1	155690142	XGIKSWQTAQBVAX-UHFFFAOYSA-N	303.366	1.202	50	20	DDGD	
Cc1coc(-c2ccc(C)c(NC(=O)NNC(=O)CCO)c2)n1	156198629	ACIAUJAFVGWRTM-UHFFFAOYSA-N	318.333	1.494	50	20	DDGD	
CC(C)(C)CCCNC(=O)NNC(=O)CNC(=O)c1ccco1	154048248	MWJPKBZHLCHULY-UHFFFAOYSA-N	324.381	1.166	50	20	DDGD	
CS(=O)(=O)CC1(CC(=O)NNc2ccncc2Cl)CC1	154780461	JYFWTAGXFTVLRO-UHFFFAOYSA-N	317.798	1.393	50	20	DDGD	
Cn1ccnc1[C@@H](NS(=O)(=O)CCl)c1ccc(F)cc1	111000550	PWXUHKNFFUSXAG-NSHDSACASA-N	317.773	1.764	50	20	DDGD	
C[C@@H](NS(=O)(=O)c1ccc(CCCl)cc1)c1nnc[nH]1	226502708	IFGWGXMOXRWAHI-SECBINFHSA-N	314.798	1.626	50	20	DDGD	
CN(CCCN1CCOCC1)NC(=O)OCc1ccccc1	859386829	FGOWEJUISKTFIV-UHFFFAOYSA-N	307.394	1.482	50	20	DDGD	
O=C(NNC(=S)NCCSc1ccccc1)c1ccc[nH]1	7011571	MMMMXIQUGPTLAB-UHFFFAOYSA-N	320.443	1.916	50	20	DDGD	
CSCCCNC(=S)NNC(=O)Cc1csc(C)n1	7640389	CTYWLYXONYYUIL-UHFFFAOYSA-N	318.493	1.242	50	20	DDGD	
O=C(Cc1ccc(F)cc1)N/N=C1/C(=O)Nc2cc(F)ccc21	7747798	JDPNLOSEFIQAFJ-UHFFFAOYSA-N	315.279	1.980	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2ccc(-n3cnnn3)cc2)c1	177374669	ZSROTYNFFCPHHV-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
CCSc1ccc(C(=O)NNC(=O)c2ccncc2)cn1	171180053	CQCXHSAYLXTHGP-UHFFFAOYSA-N	302.359	1.663	50	20	DDGD	
COCC[C@H](C)NC(=O)NNC(=O)c1cccc(N(C)C)c1	101611613	CMWSZLPFXSUFEB-NSHDSACASA-N	308.382	1.122	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NCc2ccoc2)cc1	56715249	SKKUJVBHPJLUHO-UHFFFAOYSA-N	317.345	1.751	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc(Cl)c(Cl)c2)cn1	117681564	BNWYUYAMVZNVOP-UHFFFAOYSA-N	313.144	1.802	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCC(F)(F)F)c2ccccc21	54091190	ZIHGTMPCPHXSTF-UHFFFAOYSA-N	314.267	1.685	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccc2ccccc2c1O	175778964	NBSGSSOEMRNNKO-UHFFFAOYSA-N	321.336	1.944	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)c1cc(Br)c[nH]1	175077171	PTIAFERUDJYXQZ-UHFFFAOYSA-N	323.150	1.555	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)CC#N)c1C	170627227	SZPPNRGSJDFXHH-XNTDXEJSSA-N	300.362	1.640	50	20	DDGD	
CCN(CC)CC(=O)NNC(=O)CCc1ccc(OC)cc1	63804871	AJWQHSRILQSIHS-UHFFFAOYSA-N	307.394	1.117	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)CNc1ccccc1OC	66898749	GIDCXDFXMIGLOG-LBPRGKRZSA-N	321.377	1.236	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2c(F)cccc2F)n(C)n1	119884440	KRSFYKUVEVIOPH-UHFFFAOYSA-N	323.303	1.343	50	20	DDGD	
Cc1c(/C=C/C(=O)NNC(=O)NC2CCCCC2)cnn1C	179101903	URQANCINYJTCDP-CMDGGOBGSA-N	305.382	1.405	50	20	DDGD	
Cc1ccc(F)cc1C(=O)NNC(=O)c1ccc2c(c1)OCO2	25952937	HNCDHSNSZWDNCU-UHFFFAOYSA-N	316.288	1.938	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2ccccc2C)n1	181515502	JPJLJLQSNIFCRP-UHFFFAOYSA-N	300.318	1.480	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@H](C(=O)NNc2ccncc2)C1	180477756	ONHTXURVPGDURD-LBPRGKRZSA-N	304.394	1.809	50	20	DDGD	
CCc1cnc(CNC(=O)NNc2cccc(OC)n2)s1	181363343	GDOJGIWVDWYWEN-UHFFFAOYSA-N	307.379	1.935	50	20	DDGD	
Cc1cc(C)cc(NC(=O)C(=O)NNC(=O)c2ccccc2)c1	181984598	LJZVLTWVXKBEHY-UHFFFAOYSA-N	311.341	1.703	50	20	DDGD	
COc1ccc(SCC(=O)NNC(=O)c2cccn2C)cc1	72753770	CPBFBSZQASMHMR-UHFFFAOYSA-N	319.386	1.587	50	20	DDGD	
CCc1ncncc1C(=O)NNC(=O)NCCc1cccs1	139440397	ATLPWVYMYVDCFQ-UHFFFAOYSA-N	319.390	1.287	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccnc(OC2CCCCC2)c1	89439593	WSDISRKSOSRWQL-UHFFFAOYSA-N	320.393	1.116	50	20	DDGD	
COc1cccc(C2=NO[C@H](C(=O)NNc3ccccn3)C2)c1	194545929	ZNHIRXMTIXTHIO-AWEZNQCLSA-N	312.329	1.727	50	20	DDGD	
COc1nccnc1NNC(=O)c1cccc(Br)n1	131696023	KZPJWYRFXYUTLP-UHFFFAOYSA-N	324.138	1.400	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cc(C)n[nH]2)ccc1Cl	89421651	GOHQIXVNXVIRMZ-UHFFFAOYSA-N	308.725	1.455	50	20	DDGD	
COc1ccc(OCCCC(=O)NNc2ncccn2)cc1	44715683	LRPHDADIJTUKDK-UHFFFAOYSA-N	302.334	1.788	50	20	DDGD	
CCCc1noc(CCCC(=O)NNC(=O)c2ccccn2)n1	48168097	URRVNLOORVWNFG-UHFFFAOYSA-N	317.349	1.201	50	20	DDGD	
Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)C(C)(C)O	190073895	HVWGZTSTGFXVJN-UHFFFAOYSA-N	303.318	1.182	50	20	DDGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)NC1CC1	193040885	QRVLXQHDVHYANY-UITAMQMPSA-N	302.246	1.689	50	20	DDGD	
Cn1ccc(CNC(=O)NNC(=O)CCCc2ccccc2)c1	81509317	YWVNSENZVGDDOT-UHFFFAOYSA-N	314.389	1.878	50	20	DDGD	
O=C(CCc1nnc[nH]1)NNc1ccccc1OC(F)(F)F	190155091	XEQHHODUXMAEKA-UHFFFAOYSA-N	315.255	1.779	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCc2ccco2)cc1	193821746	QGHXGAWFBUTWKB-UHFFFAOYSA-N	303.318	1.497	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1ccc[nH]1	96951251	FJOPYDVYXXHSHW-SECBINFHSA-N	307.737	1.897	50	20	DDGD	
Cc1nn(CC(=O)NNC(=O)OC(C)(C)C)c(C)c1Cl	97026554	RVSXRXVLHRVTJN-UHFFFAOYSA-N	302.762	1.709	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](C)COCC(F)(F)F)nn1	264348522	CEXNYFCAYVLEBX-MRVPVSSYSA-N	307.276	1.379	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CC2CCC2)cc(OC)c1OC	266262465	XAGZNIMLYIYUEE-UHFFFAOYSA-N	322.361	1.664	50	20	DDGD	
COC(=O)[C@H](C)CNC(=O)c1c(C)nn(CCCl)c1C	266789881	CBSOUJFZNLSTOG-MRVPVSSYSA-N	301.774	1.278	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)cc1OC	269347119	IXSNKJGUFCFWOG-GFCCVEGCSA-N	308.334	1.034	50	20	DDGD	
COc1ccccc1O[C@@H](C)CNC(=O)NNc1ncccn1	266742917	CFJDRAHIRRDBOJ-NSHDSACASA-N	317.349	1.579	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cncnc1	273608956	LIOXYOJYZFZBMP-UHFFFAOYSA-N	300.362	1.454	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H]1CCn2cncc2C1	366657154	UMSNCYZMIHVTHM-SNVBAGLBSA-N	317.301	1.968	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)NCCCC#N)c1C	273209505	JPBSUXVUEDMXIQ-ZDUSSCGKSA-N	318.377	1.705	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1C	274142661	BJSCQBPPRAGJRE-UHFFFAOYSA-N	319.239	1.340	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)[C@@H]1CCCCS1(=O)=O	274862428	XSICAWZRVBNERS-VIFPVBQESA-N	303.771	1.145	50	20	DDGD	
CCOC(=O)N1CC[C@@H](NC(=O)NNc2c(C)cccc2F)C1	274670056	PEYHCACVTNFSDR-LLVKDONJSA-N	324.356	1.991	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2CCCCN2C(C)=O)cc1	270125552	IUVBARAELUZLTQ-HNNXBMFYSA-N	317.389	1.411	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1	276685492	GGRKSODGYRUMFU-OAHLLOKOSA-N	324.384	1.882	50	20	DDGD	
N#CC1=CCN(C(=O)[C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1	272664649	ILCFSIXKMJSTGR-HNNXBMFYSA-N	313.332	1.861	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(O)nc(CC(C)C)c2)n1	271953913	CHTAOXOSVCAGFW-UHFFFAOYSA-N	317.349	1.541	50	20	DDGD	
CSSCCNC(=O)Cn1c(=O)cnc2ccccc21	283872754	BYZFMPVWEWVCCN-UHFFFAOYSA-N	309.416	1.524	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1ccc(C)cc1Cl	283778952	QVSDVPCSHBDVLT-UHFFFAOYSA-N	315.757	1.464	50	20	DDGD	
O=C(NC[C@H]1COC2(CCCC2)O1)NNc1cccc(F)n1	286616228	CGTKGRQKDITUQO-JTQLQIEISA-N	310.329	1.533	50	20	DDGD	
O=C(NNc1ncccc1F)[C@@H]1CC[C@H](C(F)(F)F)NC1=O	286127846	XGAAMPWNNZBUSQ-HTRCEHHLSA-N	320.246	1.121	50	20	DDGD	
COC(=O)N(C)NC(=O)CCCc1nc(-c2cccs2)no1	286352615	MOTIKKYWTRYFKT-UHFFFAOYSA-N	324.362	1.850	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCC2(C)CCOCC2)n1	280780219	FPGXGJAIDMCDKM-UHFFFAOYSA-N	306.366	1.151	50	20	DDGD	
CCn1ncc2cc(C(=O)NNC(=O)OC(C)(C)C)c(C)nc21	283081295	UOPINYTWVLLFEL-UHFFFAOYSA-N	319.365	1.929	50	20	DDGD	
CC(C)(C)[C@@H]1C[C@@H](NC(=O)NNc2ncncc2F)CCO1	292985330	JOQVITQRSHRDEN-ONGXEEELSA-N	311.361	1.836	50	20	DDGD	
O=C(NCCC(=O)N1CCCCCC1)NNc1ncncc1F	293110118	XHGKYZGARLGQBZ-UHFFFAOYSA-N	324.360	1.035	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@@H]1CCN2CCCC[C@H]12	298726238	KHWXKYKFIZBEIQ-NXEZZACHSA-N	310.789	1.383	50	20	DDGD	
CCCc1noc(CCCC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)n1	293921572	NGMVUEXKZJVSDO-QWRGUYRKSA-N	324.381	1.060	50	20	DDGD	
Cc1ccn2c(=O)c(C(=O)N(C)CC(Cl)Cl)cnc2c1	808246799	LVNZGLFIXNCGNB-UHFFFAOYSA-N	314.172	1.879	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)Nc1cc(F)cc(F)c1)C(C)C	297124121	ZJAKMTQMHQDOOF-GFCCVEGCSA-N	310.304	1.958	50	20	DDGD	
O=C(CCSc1ccccn1)NNC(=O)N=c1cc[nH]cc1	802027901	BATLQZYQMUCBFM-UHFFFAOYSA-N	317.374	1.234	50	20	DDGD	
COc1nnccc1NC(=O)NNC(=O)Cc1ccc(F)cc1	808902600	OXNQJXALQRKUHO-UHFFFAOYSA-N	319.296	1.020	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2cc(Cl)ccn2)ccn1	807013505	VCHGGUPYAFQNEK-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
Cc1cnn([C@@H]2CCN(C(=O)NNC(=O)c3ccccc3)C2)c1	291065324	GJEXZCUSSWJKHO-CQSZACIVSA-N	313.361	1.493	50	20	DDGD	
CCOC(=O)COCCOC(=O)/C(C#N)=C/c1ccc(O)cc1	805485083	DRBMZELPRKMYSM-UKTHLTGXSA-N	319.313	1.422	50	20	DDGD	
Cc1cnc(Cl)c(NC(=O)C(=O)NNc2ncccc2F)c1	807301274	DAMJMSCQWJEIJX-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C1(OC)CCCCC1	807369307	VGZSOBLWUAJKPP-UHFFFAOYSA-N	316.398	1.272	50	20	DDGD	
Cn1nc(Br)cc1C(=O)NCC(Cl)Cl	294596815	HTLARYYZGIKGJE-UHFFFAOYSA-N	300.971	1.716	50	20	DDGD	
CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NNc1ncccc1C	290451782	OPZYOYIJFLBKPQ-NSHDSACASA-N	324.381	1.373	50	20	DDGD	
Cn1nc(Br)cc1C(=O)NNc1ncccc1F	804219964	KBBSLJGRVRWBRN-UHFFFAOYSA-N	314.118	1.474	50	20	DDGD	
CC(=O)NCc1ccc(C(=O)NN(C)C(=O)OC(C)(C)C)cc1	297647520	MFDLFZGKRWPWFH-UHFFFAOYSA-N	321.377	1.834	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCCO2)c(C(F)(F)F)o1	294668423	OODOYEJKTMPKCF-QMMMGPOBSA-N	306.240	1.547	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1ccn(C(F)F)n1	803433154	KIOSSZKWRMILEL-UHFFFAOYSA-N	319.271	1.877	50	20	DDGD	
CC1(C)[C@H]2CC[C@@]1(C(=O)NNc1cc(Cl)nc(N)n1)C(=O)C2	295084691	RNFYUFWJXHEIAM-WJWGPLDTSA-N	323.784	1.551	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)C(=O)Nc1cccc(F)c1Cl	806976492	FGDAOZPPIDVOET-UHFFFAOYSA-N	324.699	1.207	50	20	DDGD	
C[C@H]1CSC[C@H]1NC(=O)NNC(=O)COCc1ccccc1	805142898	ZIJSQDCAHXOZNK-WCQYABFASA-N	323.418	1.285	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@H]1CCc2c(O)cccc21	298034514	SSRXZGOYLBMSGV-JSGCOSHPSA-N	319.361	1.279	50	20	DDGD	
COc1cccc2c(C(=O)NNc3nc4ccccn4n3)n[nH]c12	809795563	SDGCWBQDUIAODS-UHFFFAOYSA-N	323.316	1.371	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@@H]2CCCCC2(F)F)n1	295118151	WIQHWIXORZIBFX-LURJTMIESA-N	305.716	1.981	50	20	DDGD	
CC1(C)CN(C(=O)[C@@H](Br)C(C)(C)C)C[C@@H](CO)O1	817626565	BGEIDEBUGUFLFP-VHSXEESVSA-N	322.243	1.794	50	20	DDGD	
Cc1cc(C(=O)CCC(=O)NNc2cnnn2C)c(C)s1	816771299	HHQYPPSWMIGTNZ-UHFFFAOYSA-N	307.379	1.600	50	20	DDGD	
C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(S(=O)(=O)CCl)C1	817146061	OCQSOGKALBYEMP-UWVGGRQHSA-N	311.831	1.812	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CCc2ccccc2O)n1	810355826	JOUJPKOHRLTVPW-UHFFFAOYSA-N	310.313	1.053	50	20	DDGD	
CC(CCc1ccc(OCCC(=O)O)cc1)=NN(C)C(N)=O	814891151	OTNWVFYNGDVTQV-UHFFFAOYSA-N	307.350	1.859	50	20	DDGD	
C[C@H](CN1CCCCCC1)C(=O)NN=Cc1c[nH]c(C(=O)O)c1	814766404	IZECIVUGXPTESU-GFCCVEGCSA-N	320.393	1.675	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccc(CN2CCCC2)cc1	816768999	PWBZCVDNYAIAHN-UHFFFAOYSA-N	300.366	1.168	50	20	DDGD	
O=C(NN=C1CC[C@H]1C1CC1)C1CCN(c2ncccn2)CC1	814837024	DWYPZWIVMBNHIB-AWEZNQCLSA-N	313.405	1.985	50	20	DDGD	
C[C@@H]1CCCC[C@H]1C(=O)NNc1ccccc1S(N)(=O)=O	819947336	ZYPQSMQPECJQMS-GHMZBOCLSA-N	311.407	1.603	50	20	DDGD	
CSCc1cccnc1C(=O)NNC(=O)c1cc(C)[nH]n1	810585016	ZCCLIPRXJMVKPM-UHFFFAOYSA-N	305.363	1.051	50	20	DDGD	
N#CSCCCNC(=O)CNC(=O)c1ccc(F)c(F)c1	816539875	WLTIDKMTPQUKRV-UHFFFAOYSA-N	313.329	1.415	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cncn2C)c2ccccc2n1	813557563	UVYKNHQSDBGRBV-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1ccc(OC)cc1Cl	819812443	MBMUDQFHMJPJRP-UHFFFAOYSA-N	313.741	1.545	50	20	DDGD	
CC(=O)N[C@H]1CCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C1	817281983	AARILBRPUZKOMS-LAFZPEOGSA-N	300.318	1.670	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccc[nH]2)cc([N+](=O)[O-])c1O	725854169	HPEKXGVFNWAFFF-UHFFFAOYSA-N	304.262	1.401	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1c(C(F)(F)F)nc2ccccn12	823917007	CKIYXAJFPUPVJJ-MRVPVSSYSA-N	316.283	1.311	50	20	DDGD	
C[C@H]1CC2(CCOCC2)CN1S(=O)(=O)CBr	828235200	IJGNYFXVIMJSGC-VIFPVBQESA-N	312.229	1.560	50	20	DDGD	
O=S(=O)(CBr)N1CC[C@@H](c2cccnc2)C1	827897176	RKWDMHSISZAQRI-SNVBAGLBSA-N	305.197	1.553	50	20	DDGD	
CC(C)COC[C@H](O)CNC(=O)/C(C#N)=C/c1ccc(O)cc1	491175229	KLPICQJLWIVQMU-SNQWNFELSA-N	318.373	1.449	50	20	DDGD	
Cc1ccn(CC(=O)NNc2nc(C(F)(F)F)cs2)n1	826800176	RZWCCWNNGWAYSZ-UHFFFAOYSA-N	305.285	1.810	50	20	DDGD	
CC[C@H](C)n1ncc2c(C(=O)NN(CC)CCO)cc(C)nc21	823855670	AYMOKAWSFULXQS-LBPRGKRZSA-N	319.409	1.670	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2cc(C(F)(F)F)ccn2)CO1	827618990	VLPFEIFUBSKAKX-CBAPKCEASA-N	304.272	1.904	50	20	DDGD	
COC(=O)N(C)CC(=O)NNc1ccc(Br)cc1	491141597	PYCVHGOODRVYAL-UHFFFAOYSA-N	316.155	1.590	50	20	DDGD	
Cc1cccc2sc(NNC(=O)C3(n4cnnn4)CC3)nc12	828358722	PDZFMCWKFKYZIE-UHFFFAOYSA-N	315.362	1.224	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNC(=O)c1ccc(C)o1	496177757	IWMYTESDJAYLTN-KWQFWETISA-N	311.338	1.120	50	20	DDGD	
CON=Cc1ccc(C(=O)NNC(=O)c2cccn2C)cc1	726541452	YEBNQBJCTYODBW-UHFFFAOYSA-N	300.318	1.080	50	20	DDGD	
CC(=O)NN=C(C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1	495012626	PZPHKKKLQRPTDC-HNNXBMFYSA-N	319.361	1.536	50	20	DDGD	
CC(C)NC(=O)[C@H](C)NC(=O)/C(C#N)=C/c1ccc(F)cc1	490968527	BUUFORABILSXRZ-ZWSXMNCCSA-N	303.337	1.762	50	20	DDGD	
C[C@H]1CC[C@H](C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)C1	495352415	LZLGVXYSTTZPHK-QWRGUYRKSA-N	313.398	1.485	50	20	DDGD	
CC(=O)NNC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1	495693708	ROOXFCNJGSDKFJ-UHFFFAOYSA-N	307.350	1.743	50	20	DDGD	
CC(C)C[C@H](C)OCCc1nc(-c2cccc(B(O)O)c2)no1	585054439	VIGIYLINXGZERH-LBPRGKRZSA-N	318.182	1.410	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1	585018140	QUUHDUWMUMZPNW-JQWIXIFHSA-N	319.107	1.716	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCC(c2ccsc2)CC1	584977819	RKOOKTHTDFGOBZ-UHFFFAOYSA-N	315.203	1.448	50	20	DDGD	
CC(C)(CNC(=O)c1ccc(B(O)O)cc1)Cc1ccccc1	584953055	XRZOQXQCJWNAIB-UHFFFAOYSA-N	311.190	1.365	50	20	DDGD	
O=C(NC[C@H]1OCCc2ccccc21)NNC(=O)C1CCC1	733650921	AAANWCZEZKXKIR-CQSZACIVSA-N	303.362	1.431	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H](C=NNC(=O)C(F)F)CC(F)F	496349556	URTHAXHHUOQFBJ-ZCFIWIBFSA-N	315.267	1.902	50	20	DDGD	
COC(=O)NNC(=O)c1cc(Br)ncc1Cl	495706295	AVPWMPNNSDLVPB-UHFFFAOYSA-N	308.519	1.498	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1cc(O)cs1	732305467	KGIBCSAATGDQQK-UHFFFAOYSA-N	312.372	1.614	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(C)c(NS(C)(=O)=O)c1	490752549	CNKBOUNEMPLUEK-PKNBQFBNSA-N	323.374	1.749	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21	827607040	PEOLXHDPCMQZKX-GRYCIOLGSA-N	319.361	1.290	50	20	DDGD	
O=C(C[C@H]1CSc2ccccc2O1)NNC(=O)NC1CC1	825414645	MGYZKOKLZJXYGR-JTQLQIEISA-N	307.375	1.423	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1	823959549	LALANZWSVUZQIJ-JTQLQIEISA-N	323.780	1.881	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NN=Cc1ccncc1F	496775706	MSNVCASMBRCFEG-UHFFFAOYSA-N	324.356	1.976	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cccnc2C)cc1C	730997954	FLBXVGBCYOBMFA-UHFFFAOYSA-N	313.357	1.847	50	20	DDGD	
O=C(O)[C@]1(C(=O)N2C[C@H]3[C@H](Br)[C@H]3C2)CC=CCC1	902740857	FASUBOJQIADRBE-KEPMVKOISA-N	314.179	1.649	50	20	DDGD	
C[C@H](CN1CCCC1=O)NC(=O)[C@]1(C)C[C@H]1Br	906343305	GTOKJMJSCMDGFG-KBVBSXBZSA-N	303.200	1.287	50	20	DDGD	
O=C(CN1CCC[C@H](Cc2ccccc2)C1)NNC(=O)C1CC1	733198579	JNZJZAWJFYVEPZ-OAHLLOKOSA-N	315.417	1.499	50	20	DDGD	
COC(=O)N(C)NC(=O)c1nn(-c2ccc(F)cc2)cc1C	495824593	XTHUUDNQRVJDIO-UHFFFAOYSA-N	306.297	1.663	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)cc1	908051181	JPKZXBLENFYFBY-RAIGVLPGSA-N	303.318	1.073	50	20	DDGD	
CCNC(=O)NN=Cc1ccc(C(F)(F)F)nc1N(C)C	901177923	XFHOUOGFKRPFTJ-UHFFFAOYSA-N	303.288	1.819	50	20	DDGD	
CCOc1cccc(CN2CC[C@H](B(O)O)C2)c1OC(F)F	585076345	LPLBVSKXVGWVBT-NSHDSACASA-N	315.125	1.735	50	20	DDGD	
CC(C)C[C@H](CN(C)C)NC(=O)NNc1cccc(C(=O)O)c1	833475143	LLCYNCBPUBFBMV-CQSZACIVSA-N	322.409	1.987	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H](C)c2cnn(C)c2)c(F)c1	837206902	IEOURBKRZIDWNN-VIFPVBQESA-N	320.324	1.593	50	20	DDGD	
N#Cc1cccc(NNC(=O)N[C@@H]2C[C@@H]3CCCCN3C2=O)c1	838744714	PWMCFYLJEBMURR-UONOGXRCSA-N	313.361	1.338	50	20	DDGD	
Cc1ccc(CNC(=O)[C@@]2(C)C[C@@H]2Br)c(=O)n1C	907800328	JFCLLKQSNOIMBQ-GWCFXTLKSA-N	313.195	1.483	50	20	DDGD	
COC[C@@](C)(CC(=O)O)NC(=O)[C@@H](Br)C(C)(C)C	909376930	WIDKSOWFAXGKPB-BXKDBHETSA-N	324.215	1.792	50	20	DDGD	
CC(C)O[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(C#N)c2)C1	838747424	MAZDZCHYKDGDBK-OKILXGFUSA-N	316.361	1.458	50	20	DDGD	
Cc1ccc2c(c1)C(=NNC(=O)[C@H](C)CN1CCOCC1)CC2	730947411	QEROEZBYMBMECL-CQSZACIVSA-N	315.417	1.730	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCCNC(=O)C1CC1	909050902	DIVCVNAJNVIRAZ-LCYFTJDESA-N	300.314	1.369	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1nc2ccccc2s1	833778943	LMZWUVULKADAFT-JTQLQIEISA-N	305.359	1.626	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc2nc(C(F)F)[nH]c2c1	732062885	PRGARTLTMJUGOV-UHFFFAOYSA-N	311.292	1.855	50	20	DDGD	
CC(=NNC(=O)C(=O)NC(C)C)c1cnc2ccsc2c1	739413986	UMCLHNSLBOECIV-UHFFFAOYSA-N	304.375	1.661	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1nc2ccccc2nc1C	834963396	OJFJBYRROYWLDK-LBPRGKRZSA-N	316.361	1.440	50	20	DDGD	
CC[C@H](COc1ccccc1F)NCc1ccc(B(O)O)cc1	585024131	UGDZMWMEPDHCQH-OAHLLOKOSA-N	317.169	1.453	50	20	DDGD	
Cn1cccc1C(=O)NN=C1CCN(CCCC(=O)O)CC1	739044024	WKYIJTDNVXUYQB-UHFFFAOYSA-N	306.366	1.072	50	20	DDGD	
Cc1cccc2c1CC[C@H]2NC(=O)NNC(=O)[C@H]1CCCCO1	838318065	MMKWRISHJADCAD-HUUCEWRRSA-N	317.389	1.882	50	20	DDGD	
CN(C)CC(=O)NN=C1CC[C@H](CNC(=O)OC(C)(C)C)C1	901183378	OWXPTGWCLUVCCX-NSHDSACASA-N	312.414	1.345	50	20	DDGD	
C=C(CC)CNC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	838719054	CKBBBCYIJMIRGY-LLVKDONJSA-N	309.341	1.890	50	20	DDGD	
COc1ccc(CCC(=O)N2CC[C@@H](B(O)O)C2)cc1Cl	585070140	WMSRLQYRXKAMLG-LLVKDONJSA-N	311.574	1.357	50	20	DDGD	
C#CCOc1ccccc1CNC(=O)NNc1ccc(C)nn1	734173046	XKLUAQWLHWPRPF-UHFFFAOYSA-N	311.345	1.623	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H](C)OCCOC)c1	734022672	GXMJEZLDMOCJTP-NSHDSACASA-N	321.402	1.037	50	20	DDGD	
COc1ccc([C@H](CN(C)C)NS(=O)(=O)CCl)cc1	831425726	LWYATRYQLXNFTE-LBPRGKRZSA-N	306.815	1.414	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccc2c(n1)CCC2	836752564	FAVWZBXUQHZSNG-UHFFFAOYSA-N	300.322	1.068	50	20	DDGD	
CCCN(C)CC(=O)NNC(=O)c1ccc(OCC)c(OC)c1	730103667	GQRGNTJZYNLHBT-UHFFFAOYSA-N	323.393	1.197	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1cc(C(F)(F)F)ccn1)C(C)C	832957818	RVCQQOFMKLQPBW-LLVKDONJSA-N	318.299	1.704	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1ccccc1OC)C(F)F	836292573	RVXJBNOQFZGLOY-VIFPVBQESA-N	301.293	1.683	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cc(Cl)cc(Cl)c1O	744818083	RRGJXHNXTBZNJY-UHFFFAOYSA-N	318.160	1.674	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)c2ccc(O)c(Cl)c2)[nH]1	747631660	SNPFEEXXRWMRRY-UHFFFAOYSA-N	321.720	1.924	50	20	DDGD	
O=C(C[C@@]1(O)CCCNC1)NNc1ccccc1C(F)(F)F	912448754	VCWSBAWXABRSGW-ZDUSSCGKSA-N	317.311	1.653	50	20	DDGD	
CC(=NNC(=O)CC(F)(F)F)c1ccc(-n2cnnn2)cc1	918712902	SNDAICIVGUCFIK-UHFFFAOYSA-N	312.255	1.455	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1F	831281732	YDMIYSNGWMHDCA-SCZZXKLOSA-N	311.313	1.412	50	20	DDGD	
COc1ncc(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)cn1	748718320	UOHVLDMDBFQQGY-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
COC(=O)[C@@H]1CCN(C(=O)[C@@]2(C)C[C@H]2Br)C[C@@H]1C	912689452	BCUXKXUCJIIMEN-WTBMIXGQSA-N	318.211	1.818	50	20	DDGD	
CC[C@@](O)(CC(=O)NNC(=O)NCCCOC)c1ccccc1	840289040	QBDNUMBIPKCVPJ-MRXNPFEDSA-N	323.393	1.041	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H](O)c1ccc(Cl)c(Cl)c1	910150242	QNGXPQZKSRSBMF-WRWORJQWSA-N	307.177	1.371	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1cnccc1C	742033759	RPRCCWANAVLCAR-UHFFFAOYSA-N	315.329	1.239	50	20	DDGD	
O=C(NC[C@H]1CNCCO1)NNc1ccc(Cl)c(F)c1	842011881	RSIMBHHHFAPOOV-SECBINFHSA-N	302.737	1.094	50	20	DDGD	
C[C@@H](CN1CCCC1=O)NC(=O)NNc1ccc(F)c(F)c1	914278176	PZGDOWUWMRFTBB-VIFPVBQESA-N	312.320	1.602	50	20	DDGD	
CC(=O)Nc1ccc(C(C)=NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	842561522	LCBGTJHCHHFXSB-IAQYHMDHSA-N	303.362	1.910	50	20	DDGD	
C[C@@H](CN)NC(=O)NNc1ccc(C#N)cc1C(F)(F)F	841982936	UKKXOOPSUNLHEJ-ZETCQYMHSA-N	301.272	1.550	50	20	DDGD	
CCOc1ccccc1C=NNC(=O)C(=O)NC(CC)CC	740762178	DOBFOJGGJZQSGO-UHFFFAOYSA-N	305.378	1.840	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C[C@@H]2CCCOC2)cc1	846375834	LWCNZEBSIMCKLP-ZDUSSCGKSA-N	306.362	1.662	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1cc(F)ccc1F	743447505	JMXUSMJCPKKBLT-UHFFFAOYSA-N	322.271	1.249	50	20	DDGD	
C[C@H](c1ccccc1)[C@](C)(O)C(=O)NNC(=O)c1cccn1C	747349687	KQMHNZWEFDHIIE-PXAZEXFGSA-N	315.373	1.341	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cnn(-c2ccccc2)c1)[C@H](C)O	842231062	FCBKWGAMXJEVDY-FZMZJTMJSA-N	316.361	1.040	50	20	DDGD	
CCOc1ccc(C=NNC(=O)C(=O)NC(C)C)cc1OC	744812852	UVXCCIUGGJFYFW-UHFFFAOYSA-N	307.350	1.069	50	20	DDGD	
CC(C)Cc1c[nH]c(C(=O)NNC(=O)NCc2ccco2)c1	840288727	MACZCFWCILWPCL-UHFFFAOYSA-N	304.350	1.950	50	20	DDGD	
CC(C)c1ccc([C@H](N)CNC(=O)NNC(=O)C2CCC2)cc1	841937265	WAHYRILETDTPOV-OAHLLOKOSA-N	318.421	1.940	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2c(C)nc3ccccn23)n1	916342869	CJNROTSQELOTKC-UHFFFAOYSA-N	310.361	1.606	50	20	DDGD	
CCOC(=O)[C@H](NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccccc1	843289231	OCLVKKIPTXHFKL-MRVWCRGKSA-N	306.362	1.337	50	20	DDGD	
CC1=C(C)C[C@H](C(=O)NNC(=O)CNC(=O)c2ccco2)CC1	843540674	QRAVTHNHPCAKTF-GFCCVEGCSA-N	319.361	1.293	50	20	DDGD	
CC(C)(C)OC(=O)C1(C(=O)NNC(=O)C2CC2)CCCCC1	845075754	CXXPRFHIRCFPEC-UHFFFAOYSA-N	310.394	1.836	50	20	DDGD	
O=C(COc1cccnc1)NNC(=O)c1cc2ccccc2o1	749472694	TVWUEGLHIRSKNR-UHFFFAOYSA-N	311.297	1.668	50	20	DDGD	
CN1CCC[C@@H](NC(=O)NNc2cc(F)c(F)cc2F)C1=O	748663594	BPHQPXSJRBXBLA-SNVBAGLBSA-N	316.283	1.351	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)COCc1ncc(C)o1	846642036	ZZPIMGWFIZHEHC-UHFFFAOYSA-N	309.297	1.791	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H](C)c1ccc(Cl)cc1	845298209	HRPAVTCWTZEYMV-JTQLQIEISA-N	313.785	1.810	50	20	DDGD	
CC(=O)NNC(=O)[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1	929182707	OUAZZDRWVXFQDV-MRXNPFEDSA-N	306.362	1.568	50	20	DDGD	
N#Cc1ccc(CCNC(=O)NNC(=O)C2CCCC2)cc1	852279206	ONSJXXZXWSVFHP-UHFFFAOYSA-N	300.362	1.621	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)COc1ccc(C=O)cc1)C1CC1	855100417	BHSOOPVUHKPNAP-SNVBAGLBSA-N	321.402	1.172	50	20	DDGD	
Cc1nn(C)c2nc(Cl)c(C=NNC(=O)NCC3CC3)cc12	920828981	VZMFWDNQHZHCCS-UHFFFAOYSA-N	320.784	1.973	50	20	DDGD	
Cc1ccccc1C[C@H](C)C(=O)NNC(=O)Cc1cccnc1	859198882	HVNITZZCHQWOLO-AWEZNQCLSA-N	311.385	1.959	50	20	DDGD	
Cn1nc(C(F)(F)F)cc1C=NNC(=O)[C@@H]1CCCCO1	853353086	PTXDYLWFXQYCDA-VIFPVBQESA-N	304.272	1.458	50	20	DDGD	
CCc1ncsc1C(=O)NN(C)C(=S)NCCCOC	854283524	ZBFIZLYMUSEUDB-UHFFFAOYSA-N	316.452	1.193	50	20	DDGD	
COCCCNC(=O)NN=Cc1cc(OC)c(O)c(OC)c1	920833472	OTFNUZFVQKKPSN-UHFFFAOYSA-N	311.338	1.079	50	20	DDGD	
Cc1nc(Cl)ccc1C(=O)NNc1ccnc(N(C)C)n1	752625139	WTVHCNYCHATBCJ-UHFFFAOYSA-N	306.757	1.656	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)[C@@H](O)c1ccccn1	857476265	MUCBBZMIGQXIKP-JTQLQIEISA-N	313.239	1.067	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC(C)(C)[C@H]1c1cccnc1	854040251	BCNVZSVFORIKNL-SMDDNHRTSA-N	304.394	1.410	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NC[C@]1(C)C[C@@H]1Br	857398465	RJDMONYUBOAHTR-CABZTGNLSA-N	321.215	1.755	50	20	DDGD	
CCCNC(=O)NNC(=O)C(F)(F)c1ccc(OC)cc1	755672817	CSWDPNBKGJSPBJ-UHFFFAOYSA-N	301.293	1.527	50	20	DDGD	
C[C@]1(CNC(=O)c2cc3n(n2)CCO3)C[C@@H]1Br	857388531	UGLWBKBYQSLMMO-GZMMTYOYSA-N	300.156	1.179	50	20	DDGD	
O=C(NNC(=O)c1cc[nH]n1)c1ccc(OC2CCCC2)nc1	855355837	BEDXKIFYTWTBIF-UHFFFAOYSA-N	315.333	1.201	50	20	DDGD	
CN1C[C@@H](NC(=O)NNc2cc(F)cc(Cl)c2)CC1=O	853824810	RHUNPJUFKPJZDR-JTQLQIEISA-N	300.721	1.336	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)C1CC1)N1Cc2ccccc2C1=O	854179740	CKJRXNSVEALCGR-AWEZNQCLSA-N	315.373	1.224	50	20	DDGD	
CCC(CC)CC(=O)OCC(=O)NNC(=O)c1ccccc1	759415547	XJLAPRZXKKWDNE-UHFFFAOYSA-N	306.362	1.817	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1	756682887	AMWNHPXLJRBGIK-NSHDSACASA-N	306.366	1.474	50	20	DDGD	
C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H]1Br	857387420	HVTKJOQCXWOVFI-RCOVLWMOSA-N	303.116	1.221	50	20	DDGD	
CCO[C@H](CNC(=O)NNC(=O)c1cn[nH]c1)c1ccccc1	858399076	RQQKTXRRQDFNOE-CYBMUJFWSA-N	317.349	1.132	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)COCc2ccccc2)CN1C1CC1	753958840	BLJBGIYSECINHR-CYBMUJFWSA-N	301.390	1.932	50	20	DDGD	
O=C(NCCNC(=O)C1CC1)NNc1cc(F)cc(Cl)c1	853237178	SEZDFQLHFMKTHY-UHFFFAOYSA-N	314.748	1.631	50	20	DDGD	
Cc1nnccc1C(=O)NNC(=O)Cc1ccc2ccccc2c1	753286322	BMVVNTQBPSFYEJ-UHFFFAOYSA-N	320.352	1.942	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)cn1	855108036	SZFOMCLFTLPRJQ-KKNAONHISA-N	312.333	1.540	50	20	DDGD	
C[C@]1(CNC(=O)CCCn2cncn2)C[C@H]1Br	857401505	ZFBZLMAPJATSJN-MWLCHTKSSA-N	301.188	1.348	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C1COC[C@@H]1CC	853357398	SSGVRQIXHQAGHO-RYUDHWBXSA-N	323.393	1.432	50	20	DDGD	
CC[C@H](C)OCC(=O)NNc1ccccc1S(C)(=O)=O	752128197	YXECEGHQYSTXTO-JTQLQIEISA-N	300.380	1.348	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CCc2ncc[nH]2)ccc1C	857266506	BUIODVCKALOKLR-UHFFFAOYSA-N	302.334	1.581	50	20	DDGD	
CCn1cc(C=NNC(=O)CCCNC(=O)C(C)(C)C)cn1	853409237	QHUFJYVLYQGVLW-UHFFFAOYSA-N	307.398	1.296	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2nccn2C)c1C	853669607	UHFAQERPSSBCQC-UHFFFAOYSA-N	317.349	1.341	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H](C)Oc2ccccn2)n1	857541248	NRBRLCYGTDTINH-QMMMGPOBSA-N	307.741	1.744	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)OCC(F)(F)F)c(C(F)F)n1	856021466	GOMGDLLNAHBYCT-UHFFFAOYSA-N	316.186	1.291	50	20	DDGD	
CCOc1cc(C)ccc1CNC(=O)NNC(=O)c1cn[nH]c1	858293678	ZGMQTNONCQFKIU-UHFFFAOYSA-N	317.349	1.261	50	20	DDGD	
C[C@H](NNC(=O)c1cc2nccnc2cc1F)C(F)(F)F	862318529	UTZKDXXAWPWSLJ-LURJTMIESA-N	302.231	1.954	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CN(C)C2CCC2)cc1	863852339	ZJORNSKUYYIDAN-UHFFFAOYSA-N	305.378	1.006	50	20	DDGD	
CN(C)S(=O)(=O)CCC(=O)NNc1ccc(F)c(Cl)c1	863081421	JJBUHCFMVCUPFW-UHFFFAOYSA-N	323.777	1.204	50	20	DDGD	
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN[C@@H](C)C(F)(F)F	862318486	QJRSNDUKBGNPDL-JGVFFNPUSA-N	313.320	1.861	50	20	DDGD	
Cc1cc(C)c(NC(=O)C(=O)NNC(=O)C2CCCC2)c(C)c1	764077814	VCIRNRQNQDWAGF-UHFFFAOYSA-N	317.389	1.888	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNc1nc2ccccc2[nH]1	768495664	OCWQPEWOVNTMKB-CYBMUJFWSA-N	315.377	1.797	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@H](C)COCC1CCCCC1	932422389	WHCZMCROBOYXAP-CHWSQXEVSA-N	313.442	1.507	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCCc2cccs2)ns1	767722763	LSWBOOAXRVIWKT-UHFFFAOYSA-N	310.404	1.700	50	20	DDGD	
C#CCCCCNC(=O)NNc1ccccc1S(C)(=O)=O	765833556	FFVQWOKKXVJHNH-UHFFFAOYSA-N	309.391	1.520	50	20	DDGD	
O=C(NNC(=O)c1cnc(-c2cccnc2)s1)NC1CC1	761389971	TYZUPPDCNNYURY-UHFFFAOYSA-N	303.347	1.312	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1c(C)oc(C)c1C	768738689	RBDJQCCLGLUDSZ-UHFFFAOYSA-N	313.423	1.692	50	20	DDGD	
O=C(NNC(=O)C(F)(F)C1(O)CCC1)c1ccccc1F	763333732	CAKUKWWMNYQXFU-UHFFFAOYSA-N	302.252	1.137	50	20	DDGD	
CC(=NNC(=O)CS(C)(=O)=O)c1ccc(C#N)cc1Cl	863187030	VIXLGIRDPBOXPK-UHFFFAOYSA-N	313.766	1.096	50	20	DDGD	
C[C@H](OC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)C(=O)N(C)C	769981851	LAQPWBFDJCHQPA-QISWUMQESA-N	318.211	1.960	50	20	DDGD	
COc1ccc(NC(=O)NNc2nccnc2OC)c(OC)c1	764598393	ZVXHZUIPXKTYEB-UHFFFAOYSA-N	319.321	1.651	50	20	DDGD	
CC(CCc1ccsc1)=NNC(=O)[C@@H](C)NS(C)(=O)=O	764912048	QLFTZOGFKOZKNC-SNVBAGLBSA-N	317.436	1.111	50	20	DDGD	
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)NC(C)C	765420790	XMUQSZJRNLLGRU-LBPRGKRZSA-N	322.365	1.902	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@]1(C)CC(c2ccccc2)=NO1	874213998	MSQXLTFZPCEVIX-OAHLLOKOSA-N	304.350	1.310	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccc(N2CCCC2)nn1	768515827	VJLZIJPWTGLHDN-UHFFFAOYSA-N	323.360	1.710	50	20	DDGD	
COC(=O)N(C)NC(=O)NCC(C)(C)c1ccccc1OC	875176811	WARRBRWBTBKLSV-UHFFFAOYSA-N	309.366	1.885	50	20	DDGD	
CO[C@H](c1ccccc1F)[C@H](C)NC(=O)NNC(=O)C(C)C	775776581	DGOKEHDZMNTFOZ-GWCFXTLKSA-N	311.357	1.888	50	20	DDGD	
COc1cccc(CNC(=O)NN=c2cc[nH]c(C)c2)c1C	875755038	CCQJUTZGBXUNCL-UHFFFAOYSA-N	300.362	1.955	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)COC(C)(C)C)c1	778153767	SDJMYEVGIAQIAZ-UHFFFAOYSA-N	322.361	1.114	50	20	DDGD	
Cc1nc(CC(=O)NNC(=S)Nc2ccc(C)c(C)c2)n[nH]1	873761704	FYAQBYRRLKKMOW-UHFFFAOYSA-N	318.406	1.290	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)c1ccco1	772156258	CFZOZCWOPULGOJ-WDEREUQCSA-N	310.350	1.508	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2ccc3c(c2)COC3)n1	770418436	LOJCZGVEJQXBSM-UHFFFAOYSA-N	315.333	1.342	50	20	DDGD	
O=C(NN=Cc1cccnc1Br)N1CCOCC1	872346182	KPMZXTNLYDQMNX-UHFFFAOYSA-N	313.155	1.220	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccn(-c2ncccc2F)n1	770079628	NBFNSXMPHGZWIH-UHFFFAOYSA-N	320.328	1.605	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)c1cccc2ncccc12)C(C)C	771327665	KVPPMFNEOZOCNK-AWEZNQCLSA-N	301.346	1.667	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)[C@H]2CC[C@@H](C)C2)C[C@H](C)O1	776448911	ZDFITFLIHKEOMM-RFGFWPKPSA-N	311.426	1.069	50	20	DDGD	
CCNC(=O)c1cccc(NC(=O)NNc2ncc(F)cn2)c1	775458319	CXCRTDJFDHOEHI-UHFFFAOYSA-N	318.312	1.514	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccccc1CN(C)C(C)C	875057323	LZOFFOVOJADMQP-UHFFFAOYSA-N	322.409	1.939	50	20	DDGD	
CCNC(=O)NC1(C(=O)NNc2ccc(F)cn2)CCCC1	874651674	SAFZSKQIJHXLSJ-UHFFFAOYSA-N	309.345	1.296	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H]2CCc3ccccc3OC2)cc[nH]1	875564621	ITDDYRNEUBBCRV-OAHLLOKOSA-N	312.373	1.832	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCCCSC#N)cc(C#N)n1C	773584466	AJQXBKLLADJKAT-MLPAPPSSSA-N	313.386	1.833	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)C(=O)NNc1ccc(Cl)cc1F	885107883	QYMGXXJHWICZQI-ZETCQYMHSA-N	308.762	1.603	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2cc(Br)ccc2F)C1	885147732	MZVJEDIERIUZGQ-QMMMGPOBSA-N	316.174	1.983	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)OC[C@H](C)CBr)C1	770405238	ZEXDBPBKSGILPT-NXEZZACHSA-N	306.200	1.819	50	20	DDGD	
N#Cc1ccc(NNC(=O)CNC(=O)c2cccc(O)c2)cc1	779011313	SGWYKRHHOISLJK-UHFFFAOYSA-N	310.313	1.137	50	20	DDGD	
CC(C)n1cc([C@H](C)NC(=O)NNC(=O)C2CCOCC2)cn1	883402375	OUKXVWKRQRTQPH-NSHDSACASA-N	323.397	1.282	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1cccc(OC(C)C)c1	887143223	QFUXYYBTVBQSNG-UHFFFAOYSA-N	302.374	1.967	50	20	DDGD	
CN1CCC([C@@H]2CCN(S(=O)(=O)CCCCl)C2)CC1	882017326	TXYQAXZUOPVCDQ-CYBMUJFWSA-N	308.875	1.609	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)O[C@H](C)c2nnnn2C)c1	787599703	HZMUFTNJWLJZCT-VPMLRQHESA-N	313.317	1.430	50	20	DDGD	
O=C(NN=Cc1ccccc1OCC(F)F)N1CCOCC1	884424537	ZRCRHERHYDOLRA-UHFFFAOYSA-N	313.304	1.706	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NN=Cc2cnc(N)nc2)c1C	781584015	LVQHZDCIOWNNDH-LBPRGKRZSA-N	313.361	1.593	50	20	DDGD	
Cn1cc(-c2ccc(F)c(C(=O)NNC(=O)NC3CC3)c2)cn1	782550498	OCXSYCJEHIBPIP-UHFFFAOYSA-N	317.324	1.333	50	20	DDGD	
Cc1ccc2c(c1)N(C(=O)C(=O)NNc1ccnc(F)c1)CC2	784847297	ZNFZRTTUZKLBAU-UHFFFAOYSA-N	314.320	1.562	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1cc(F)ccc1F	788173571	AEISECPLWVJOPG-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
COC(=O)[C@@H](Cc1ccc(F)cc1)NNC(=O)C1CCCC1	783568952	FINGWPPSZXURSD-CQSZACIVSA-N	308.353	1.721	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=S)NC1(C)CC1	789161927	MBXJPHMUVHXEJZ-UHFFFAOYSA-N	308.407	1.155	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@H]1CO[C@@H](C)C1	784018388	WPHDMTQSWWPTFE-NWDGAFQWSA-N	322.361	1.037	50	20	DDGD	
COC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccncc1	788342675	AVZAKRNCUOUCBF-LCYFTJDESA-N	307.313	1.939	50	20	DDGD	
CCNC(=O)CC(=O)NNc1nc(-c2ccc(Cl)cc2)no1	780938766	FDKNRBWBAUEIRA-UHFFFAOYSA-N	323.740	1.359	50	20	DDGD	
O=C1CCCCN1[C@@H]1CCCN(S(=O)(=O)CCCCl)C1	881885673	NWJJVBNOJZQHFX-GFCCVEGCSA-N	322.858	1.422	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)o1	792214738	LNIAFFVDJHMAAP-CQSZACIVSA-N	322.324	1.603	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1ccsc1Cl	790148900	HBGGZGRPTJBJOP-JTQLQIEISA-N	315.826	1.820	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cc(C(=O)OC)ccc1Cl	794932849	ZNWXERJVYRIHLM-WQLSENKSSA-N	322.748	1.796	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc(F)c(C#N)c1	790477001	WFTSLCINFZJOMJ-UHFFFAOYSA-N	313.288	1.781	50	20	DDGD	
CC(C)C(CS(=O)(=O)N(C)C)=NNC(=O)C1CCCC1	794896533	LKTBGXMGSHJBCR-UHFFFAOYSA-N	303.428	1.196	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC[C@@](C)(C(N)=O)C1	794359105	PLDKEEAUEVKRCY-QPUJVOFHSA-N	305.216	1.520	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(Cl)nc1)c1nnnn1C1CC1	790728327	NNERLKHMWADWKZ-SSDOTTSWSA-N	322.760	1.444	50	20	DDGD	
CSc1nsc(NC(=O)NNc2nc3ccccn3n2)n1	792333843	PRIUOHGRUIDZPB-UHFFFAOYSA-N	322.379	1.451	50	20	DDGD	
CC(C)(C)c1csc(NC(=O)C(=O)NNc2ncccn2)n1	1325328354	MJMFIKIEOYFOOY-UHFFFAOYSA-N	320.378	1.312	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@H]1CCCCO1)c1ccc(F)c(F)c1	1324453953	MTVCBKINTMZUGS-TVQRCGJNSA-N	312.316	1.785	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)NCc1nnc(C)n1C	1328202388	UFUIIMVNDHNBBH-UHFFFAOYSA-N	308.773	1.912	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCOCCC(C)C)cc1	1251321136	YJYIIVVTWUOOOZ-UHFFFAOYSA-N	323.393	1.702	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)COCc2cccnc2)nn1	1259857650	DJFRVCNQFZGFJV-UHFFFAOYSA-N	315.377	1.829	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)c2cccnn2)C[C@H]1C	1331344544	GZGCTXXPVCFOBD-ZYHUDNBSSA-N	304.350	1.562	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C1CCOCC1)c1ccc(F)cc1F	1330842043	SLVFXIGESPTYLC-VIFPVBQESA-N	312.316	1.642	50	20	DDGD	
CC1(C)CCc2nc(O)c(C(=O)NNC(=O)C3CC3)cc2C1	1253381600	XZQAXRAHYGWSNB-UHFFFAOYSA-N	303.362	1.473	50	20	DDGD	
CO[C@H]1CCC[C@@H]1C(=O)NNC(=O)Cc1c[nH]c2ccccc12	1336783008	CFGHVJBTFLJTSM-ZFWWWQNUSA-N	315.373	1.673	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)nc1Cl	1336381511	IFLQKDSKYYAFSP-ZETCQYMHSA-N	312.757	1.175	50	20	DDGD	
COCCn1ccc(C(=O)OC[C@@]2(C)C[C@H]2Br)n1	1348961506	NIWRTDRKFSUCJF-ZYHUDNBSSA-N	317.183	1.860	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@H]1C[C@@H]1F	1345505605	CZUMMJIQWAKMLD-UWVGGRQHSA-N	304.325	1.104	50	20	DDGD	
C[C@@H](NNC(=O)[C@@H]1CC(=O)N(C)c2ccccc21)C(F)(F)F	1348382547	BHIYRWXMXVXZMU-PSASIEDQSA-N	315.295	1.708	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)N3CC[C@H]3CO)cc2C1	1263063099	MJVOZXJWDQWXBS-KOLCDFICSA-N	323.418	1.294	50	20	DDGD	
CCCC[C@H]1CCC[C@@H]1NC(=O)NNC(=O)C1CCNCC1	1261375580	SXKGLUULZCEPPS-JSGCOSHPSA-N	310.442	1.675	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)NC[C@H]2CCCCO2)cc1	1602128197	NSBPUCPGSIZNIT-CYBMUJFWSA-N	307.350	1.509	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)Nc1cnc(C2CC2)nc1	1605821193	WKFLSVWTAFZMQT-UHFFFAOYSA-N	314.305	1.596	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1ccc(-c2nn[nH]n2)cc1	1602907281	WUBSMTXVVPMCTK-GWCFXTLKSA-N	314.349	1.132	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@@](C)(CC(=O)O)C2CC2)cn1	1600944670	BIHAOZAAFGOVLX-RILDOFPPSA-N	302.334	1.087	50	20	DDGD	
O=C(C[C@H]1C[C@H]2CC[C@H]1O2)NNc1cccc(C(=O)O)c1F	1601248708	DIAGFRFZIZNQHX-KBVBSXBZSA-N	308.309	1.925	50	20	DDGD	
C/C(=C\c1cccnc1)C(=O)NNc1cccc(-c2nn[nH]n2)c1	1602905955	IXVNJUUUOLHIDA-DHZHZOJOSA-N	321.344	1.808	50	20	DDGD	
Cn1cc(C(=O)O)c(NC(=O)NNc2ccc(C#N)cc2)n1	1600936394	MWUQWRSDXICMFR-UHFFFAOYSA-N	300.278	1.139	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2ccc(F)c(C(=O)O)c2)C1	1601145430	PSDDAAURVODQPX-RKDXNWHRSA-N	323.324	1.259	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NC[C@H](CC1CC1)C(=O)O	1601045767	JEXXDETZBZXRKW-GUNGLEHYSA-N	314.341	1.916	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C\c1c(F)cc(-c2nn[nH]n2)cc1F	1609492397	BEWXOTXETRMKMG-QPIMQUGISA-N	324.254	1.312	50	20	DDGD	
CCc1cc(C(=O)NNc2cccc(C(=O)O)c2)cc(O)n1	1610056918	ZCKYAVHNJHGBJC-UHFFFAOYSA-N	301.302	1.805	50	20	DDGD	
C/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cl)CC)C2	1800459992	LDIJTPTZTBTHKB-DICOSTHXSA-N	314.813	1.170	50	20	DDGD	
CCOC(=O)N[C@H](C(=O)NNc1ccccc1C(=O)O)C(C)C	1610023050	ZLJIVAJYKJKORM-LBPRGKRZSA-N	323.349	1.599	50	20	DDGD	
CC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1C[C@@H]1F)C2	1800070097	SASPEZAWDJYUGY-ISFYIQIJSA-N	316.804	2.000	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)cc1C	1549318609	PXGHYXXBPXAAQJ-HZPDHXFCSA-N	301.390	1.617	50	20	DDGD	
CCn1cc([C@H]2OCC[C@@H]2C=NNC(=O)c2cc(C)[nH]n2)cn1	1552449475	MGBHLHHUANZNIB-RISCZKNCSA-N	316.365	1.428	50	20	DDGD	
CC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1	1824182036	RJEMMTOYNMCGFA-KBPBESRZSA-N	316.829	1.226	50	20	DDGD	
C[C@H](C(=O)NNC(=S)NC(C)(C)C)[C@@H](N)c1ccccc1	1575070768	DCYJCWGJAUHSOB-CMPLNLGQSA-N	308.451	1.616	50	20	DDGD	
COc1cccc2c1CC[C@@]2(N)C(=O)NNc1ncccc1F	1579291936	UTFSZMURTHBZSU-INIZCTEOSA-N	316.336	1.473	50	20	DDGD	
C[C@H](N)c1ccc(C(=O)NNC(=O)Cc2ccc(F)cc2)cc1	1576164012	CSHGUCKTHPTZCB-NSHDSACASA-N	315.348	1.849	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1ccccc1OCC(=O)O	1589010755	GVRDZACTSIOLEP-YPMHNXCESA-N	320.345	1.415	50	20	DDGD	
O=C(c1cccnc1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843362665	DTLXWBYOMSFAJZ-NSHDSACASA-N	311.744	1.433	50	20	DDGD	
CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccccn1	1588776557	SIQBBHLFTLQGCR-UHFFFAOYSA-N	307.317	1.416	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cocn1)C2	1845164236	UNFRWMBSZSXAJI-JTQLQIEISA-N	311.769	1.509	50	20	DDGD	
COc1ccc(C=NNC(=O)NCC(=O)O)c2ccccc12	1599544198	LXHYCDMECRCPBX-UHFFFAOYSA-N	301.302	1.566	50	20	DDGD	
Cc1cccc(NNC(=O)CNc2ccc(-c3nn[nH]n3)cc2)n1	1592235567	SUNQERMKCRDZLY-UHFFFAOYSA-N	324.348	1.125	50	20	DDGD	
C[C@]1(COC(=O)[C@H]2CC[C@@H](C(=O)O)O2)C[C@H]1Br	1594036292	GCFQMTKRCPQNTI-PRKAOEEVSA-N	307.140	1.335	50	20	DDGD	
C[C@H](CC(=O)O)CC(=O)NNc1nc(-c2cccnc2)no1	1592391420	KLSYYZVUWKLAOW-QMMMGPOBSA-N	305.294	1.076	50	20	DDGD	
C[C@H](CN(C(=O)/C(C#N)=C/c1cnn(C)c1)C1CC1)C(=O)O	1592552365	WTZYQRKZWYCVLU-STCRIKGOSA-N	302.334	1.039	50	20	DDGD	
O=C(O)Cn1cccc1C=NNC(=O)c1ccc(Cl)nc1	1595158644	SPBGKDVOSJFBCY-UHFFFAOYSA-N	306.709	1.385	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)c2cccc(C(=O)O)c2)nn1	1776095649	LAIQGXCXQNIMKK-UHFFFAOYSA-N	301.306	1.321	50	20	DDGD	
Cc1oc(C=NNC(=O)[C@H]2CCN2C(C)(C)C)cc1C(=O)O	1776098290	FOZYBEHEPDSDTR-GFCCVEGCSA-N	307.350	1.609	50	20	DDGD	
CN(C)CC(=O)NN=Cc1c(O)c(C(=O)O)cc2ccccc12	1776042055	FZEIFJZQGUQPJI-UHFFFAOYSA-N	315.329	1.255	50	20	DDGD	
CCOC(=O)NN=Cc1ccc(OCC(=O)O)c(OCC)c1	1776028507	DJZLJCNWXJYLOS-UHFFFAOYSA-N	310.306	1.629	50	20	DDGD	
O=C(O)c1cc(F)c(C=NNC(=O)[C@H]2CCCCO2)c(F)c1	1776077731	VZLAECMCWGXEDX-GFCCVEGCSA-N	312.272	1.682	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)N1C[C@H]2CCC[C@@H]2C1	158946483	JLOVMAJXAXUYGP-ZIAGYGMSSA-N	317.389	1.928	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cnn(-c3ccccc3C)c2)[nH]n1	153149445	ADPSDPZYBCEJCK-UHFFFAOYSA-N	324.344	1.287	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCC(=O)c2ccccc2)[nH]n1	153217046	OBYOGOUWTYLFCZ-UHFFFAOYSA-N	300.318	1.142	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)c1cc(-c2ccccc2)on1	153351041	VECHOWLIIPAPSO-LLVKDONJSA-N	317.345	1.918	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1nc(-c2cnn(C)c2)cs1	157503803	JBUSTYDICLIEIB-UITAMQMPSA-N	303.347	1.926	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CC[C@@H]2CCCO2)n1	155744964	RWIUQMVUFAIAEG-LBPRGKRZSA-N	307.398	1.725	50	20	DDGD	
CC(C)(F)C(=O)NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1	156597838	DCEYTEPYIRAYLO-UHFFFAOYSA-N	310.333	1.066	50	20	DDGD	
Cc1noc(CNS(=O)(=O)c2ccc(CCCl)cc2)n1	38035219	BTCXMPZYHDUTNJ-UHFFFAOYSA-N	315.782	1.638	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1	6448861	ZOTJFKXGACHPHM-UHFFFAOYSA-N	320.308	1.270	50	20	DDGD	
N#CC(C#N)=CNCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1	108249799	UTEWTLJVRHGAHS-QGZVFWFLSA-N	323.400	1.405	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@@H](CCO)c1ccccc1	172701448	AKTCSEQKFZJXCY-CYBMUJFWSA-N	307.394	1.529	50	20	DDGD	
CCCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)CC1CCCC1	106913931	KRXWRQQLEGXWDO-AWEZNQCLSA-N	323.437	1.895	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)CNC(=O)Cc1cccc(F)c1	103197600	FVTUGJCWFRZZEF-UHFFFAOYSA-N	323.368	1.068	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)CCc1ccc(OC)cc1	119218593	MJNBQPRESYLUGP-UHFFFAOYSA-N	308.378	1.448	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC[C@H](C)COC)c1ccccc1	171848088	KARUHDFYKJYHNP-GXTWGEPZSA-N	307.394	1.793	50	20	DDGD	
O=C(CC1(O)CCCC1)NNC(=O)c1cc2ccccc2o1	177723823	MXJAGCASLGTOCG-UHFFFAOYSA-N	302.330	1.889	50	20	DDGD	
N#CC(C#N)=CNCc1cccc(C(=O)NC[C@@H]2CCCO2)c1	63442133	PHTBQTNKVSXPQU-INIZCTEOSA-N	310.357	1.616	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)COc2cccc(C)c2)cn1	114314001	HMDLCRURZUTPJG-UHFFFAOYSA-N	302.334	1.051	50	20	DDGD	
Cc1nn(CC(C)C)c(C)c1CCC(=O)NNC(=O)C1CC1	26969953	XMKRARDMCUWUPX-UHFFFAOYSA-N	306.410	1.646	50	20	DDGD	
CC[C@H](C)CN(C)C(=O)NNC(=O)c1c(C)nc2ccccn12	111436880	BWOTZOOZDUUUFV-NSHDSACASA-N	317.393	1.975	50	20	DDGD	
COc1c(C(=O)NNC(=O)c2cccc(Cl)c2)c(C)nn1C	171790187	OBFVDLKUUQCKHJ-UHFFFAOYSA-N	322.752	1.465	50	20	DDGD	
CONC(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C	63727185	NVLLSLYORVQOJU-UHFFFAOYSA-N	314.345	1.335	50	20	DDGD	
CCOC(=O)NNC(=O)CCc1c(C)nn(CC(C)C)c1C	21772473	YIAIUJVPEKBWHP-UHFFFAOYSA-N	310.398	1.866	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@H]1C[C@@]12CCc1ccccc12	173135314	NFHIJNIUGGZZNZ-VQIMIIECSA-N	321.380	1.676	50	20	DDGD	
Cc1nccn1CCCN(C)C(=O)NNC(=O)c1ccccc1	119823836	NWMSIOGKWLMRBM-UHFFFAOYSA-N	315.377	1.568	50	20	DDGD	
CC[C@H]1CO[C@H](CC)CN1S(=O)(=O)CBr	403887873	PYSIQCOCNUBTBW-DTWKUNHWSA-N	300.218	1.558	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)NNc1c(F)cccc1Cl	184687093	FHQVBGWVLCBSMR-UHFFFAOYSA-N	322.789	1.993	50	20	DDGD	
CCNC(=O)CCC(=O)NNc1ccc(OC(F)F)cc1	122907156	IVCBLWUBLDSGCO-UHFFFAOYSA-N	301.293	1.647	50	20	DDGD	
COCCOC1CCN(S(=O)(=O)CCCCCl)CC1	154246188	RKBCJVOFXZQMEY-UHFFFAOYSA-N	313.847	1.463	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@@H]1CCOc2ccc(F)cc21	69461828	HYVMBSPCIRBYMM-YPMHNXCESA-N	323.324	1.159	50	20	DDGD	
Cn1nccc1NC(=O)NNC(=O)COc1ccc(Cl)cc1	125538357	PISDVYXBKAHEJH-UHFFFAOYSA-N	323.740	1.305	50	20	DDGD	
Cc1ccc(C(=O)NCCC(=O)NNc2ccccn2)c(O)c1	181910530	MCQGTTSTBUVHOO-UHFFFAOYSA-N	314.345	1.359	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NCCCC(C)(C)C)n1	121248987	OQKBKGVLQXCDIM-UHFFFAOYSA-N	309.414	1.657	50	20	DDGD	
CC1(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CCCC1	78524518	NPYNRPJONHFPLU-UHFFFAOYSA-N	314.349	1.004	50	20	DDGD	
COC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)c2ccccc2F)C1	73397880	XSWPHGYITVXJGI-MNOVXSKESA-N	322.336	1.566	50	20	DDGD	
O=C(O)/C=C\c1ccc(S(=O)(=O)NCC(Cl)Cl)cc1	311912713	CKFCYZAXTQYICF-UTCJRWHESA-N	324.185	1.866	50	20	DDGD	
COc1ccc(C)cc1NC(=O)NNC(=O)c1cc(C)n[nH]1	182781568	DVCALDMIXQZUCZ-UHFFFAOYSA-N	303.322	1.502	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1cc(F)c(O)c(F)c1	184153839	WEPJCBZNJMKXNJ-UHFFFAOYSA-N	308.240	1.451	50	20	DDGD	
C/C=C(/CC)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1	188539373	MIUKYLHKJFHOKQ-WMZJFQQLSA-N	310.375	1.207	50	20	DDGD	
O=C(CCc1ccc2[nH]ccc2c1)NNC(=O)c1ccncc1	123270443	BCZDXJROTKRXEZ-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
C[C@H](CCc1ccc(O)cc1)NC(=O)NNC(=O)c1ccc[nH]1	121891793	XTDWBBLSSWTPPP-LLVKDONJSA-N	316.361	1.686	50	20	DDGD	
O=C(CC[C@H]1CCCO1)NNC(=O)c1c[nH]c2ccccc12	78466442	YQOLNMULCRYGMO-LLVKDONJSA-N	301.346	1.888	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)C(C)(C)C#N)c1C	42127811	HWKRPFRYTICAHO-GFCCVEGCSA-N	303.362	1.768	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H](C)NC(=O)C(C)(C)C)cc1	73484840	DNMZVDIVKVFFDH-LLVKDONJSA-N	319.405	1.561	50	20	DDGD	
CCc1onc(C)c1NC(=O)NNC(=O)c1ccccc1O	183400428	FENKXFNFKGJZPH-UHFFFAOYSA-N	304.306	1.718	50	20	DDGD	
CC(=O)Nc1ccc(C)c(C(=O)NNC(=O)c2ccc[nH]2)c1	187271924	BMVWNLJJMVOIND-UHFFFAOYSA-N	300.318	1.356	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2ccc(-n3ccnn3)cc2)c1	89866035	OXZKHYZFEFQMPE-UHFFFAOYSA-N	304.313	1.896	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NC[C@@H]1CCCO1	42870272	QRLPZLCGKAXXLE-ZDUSSCGKSA-N	321.377	1.137	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CSc1ccc(C(C)(C)C)cc1	192929282	OTXFKXKEZUYVFU-UHFFFAOYSA-N	324.446	1.995	50	20	DDGD	
O=C(C[C@@H]1OC(=O)c2ccccc21)NNC(=O)c1ccccc1	45051718	SOCYFPWJWSRTFT-AWEZNQCLSA-N	310.309	1.749	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccnc(F)c1F	193523663	ZESDPVFJBOCVMD-UHFFFAOYSA-N	321.283	1.372	50	20	DDGD	
C=CCSCCNC(=O)NNC(=O)c1ccc(C#N)cc1	144562361	BOKZXNAFCFKDDJ-UHFFFAOYSA-N	304.375	1.421	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cc(C)c(F)cc1F	84650020	DVRWJPSPPWVIED-ZETCQYMHSA-N	306.334	1.629	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)c2ccc(C#N)cc2)ccc1C#N	195398274	SMEVYKZCPYJSEQ-UHFFFAOYSA-N	305.297	1.208	50	20	DDGD	
C[C@H](C#N)CN(C)CC(=O)NNC(=O)c1ccccc1Cl	143167829	DGBPDMDYVZSSRQ-SNVBAGLBSA-N	308.769	1.192	50	20	DDGD	
CNc1snc(C)c1C(=O)NNC(=O)NC1CCCCC1	192538724	XDLNAXCJWAMMTK-UHFFFAOYSA-N	311.411	1.770	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	247658773	XNQGBCIKXHDPJK-URLAMEQQSA-N	317.364	1.743	50	20	DDGD	
Cc1ncc(/C=C\C(=O)NNC(=O)Cc2ccccc2F)s1	255326474	LABUZWSKELBUOO-SREVYHEPSA-N	319.361	1.994	50	20	DDGD	
CN(C)Cc1ccsc1C(=O)NNC(=O)c1cccn1C	268090098	INMGZIVBECTMJV-UHFFFAOYSA-N	306.391	1.223	50	20	DDGD	
COc1cccc2c1OCC[C@@H]2NC(=O)NNc1cccnn1	363554788	AVPJELDUDVLBSC-NSHDSACASA-N	315.333	1.635	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C(C)(C)c1ccccc1)[C@H]1CCOC1	266784785	RUTPHNYOPQCSAE-OLZOCXBDSA-N	319.405	1.720	50	20	DDGD	
CC(C)CONC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	269658925	CCSPYZIDZWOKHU-JTQLQIEISA-N	313.329	1.511	50	20	DDGD	
CC1(C)[C@H](NC(=O)NNC(=O)c2ccccc2)[C@H]2CCCO[C@H]21	365672060	PBJQKMNGHWODAK-MGPQQGTHSA-N	317.389	1.834	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)[C@@H]1CCCCS1	272976036	TUFHODAOEIYJFJ-JTQLQIEISA-N	305.363	1.860	50	20	DDGD	
C=CCNC(=O)c1ccc(NC(=O)NNC(=O)C2CCC2)cc1	272351715	OQQLSKOYVCSMEE-UHFFFAOYSA-N	316.361	1.555	50	20	DDGD	
CC(=O)N1CCC[C@H]1C(=O)NNc1cccc(F)c1[N+](=O)[O-]	279612333	HEHKWPPRSMZPHW-NSHDSACASA-N	310.285	1.188	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNC(=S)N[C@H](C)C1CC1	273585399	REANGVNWLJTGOI-SECBINFHSA-N	307.423	1.255	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2	273369068	XKMZICFIAAHKOO-RKDXNWHRSA-N	320.349	1.605	50	20	DDGD	
CC(=O)N1CC[C@@](C)(C(=O)NNC(=O)Nc2ccccc2)C1	367258105	OGOZSUSYTPDGGX-OAHLLOKOSA-N	304.350	1.098	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N[C@@H](C)[C@H]2CCCCO2)c(C)o1	271989291	LLYBONALHWAXKY-GXFFZTMASA-N	309.366	1.798	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCS1)c1ccc2c(c1)OCCO2	273002719	SXJODXMLHSSBIS-CYBMUJFWSA-N	322.386	1.505	50	20	DDGD	
CC(C)(C)OC(=O)NNS(=O)(=O)c1cc(Cl)cnc1N	274080830	NDYDYCLOWONJIG-UHFFFAOYSA-N	322.774	1.035	50	20	DDGD	
COC(=O)c1coc(/C=C(\C#N)C(=O)NCCCOC(C)C)c1	274752978	GYPPYSVIUNYJCS-KPKJPENVSA-N	320.345	1.904	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)C(C)(C)S(=O)(=O)C1CC1	285334713	QYSDFFPHWQRWEA-UHFFFAOYSA-N	314.382	1.933	50	20	DDGD	
CC[C@@](O)(C(=O)NN(C)C(=O)OC)c1cccc(Cl)c1	286219649	FODVOSHFBAZBJG-ZDUSSCGKSA-N	300.742	1.667	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2cccc(F)n2)[C@]12CCCO2	286937459	VRGMJQATJRGMFA-FIXISWKDSA-N	324.356	1.573	50	20	DDGD	
O=C(CCCCN1CCOCC1)NNc1ccc(Cl)nc1	281542009	SAVBDAIBPJXROX-UHFFFAOYSA-N	312.801	1.681	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)C[C@H]1CCS(=O)(=O)C1	281774695	MOZGNIVSEGHIKR-GFCCVEGCSA-N	310.419	1.825	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2cc(C3CC3)no2)c1	281515845	TYQLJDYABWHQQD-UHFFFAOYSA-N	314.345	1.693	50	20	DDGD	
CSSCCNS(=O)(=O)c1cccc2nonc12	284803807	ZAFKTXKUSWQJNA-UHFFFAOYSA-N	305.406	1.512	50	20	DDGD	
CC(=O)N1CCC[C@@H]1C(=O)NNC(=O)Nc1cccc(Cl)c1	283746001	JLAIJVKHOHLXAM-GFCCVEGCSA-N	324.768	1.504	50	20	DDGD	
C[C@@H](C(=O)NNc1cnccn1)[C@H]1OCCc2sccc21	293481293	LOLHOBZJSPIVJI-NOZJJQNGSA-N	304.375	1.931	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cnc2ccccc2c1	800833964	RWZAUXRXFSYSBZ-SNVBAGLBSA-N	307.375	1.590	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@@H]1CCCc2occc21	296693670	YNAOZBBTUPCVRA-YPMHNXCESA-N	307.350	1.557	50	20	DDGD	
CC(C)NC(=O)CCCC(=O)NNC(=O)Nc1ccccc1	801984619	FJSIAIPFZKWGAC-UHFFFAOYSA-N	306.366	1.534	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)Cc2ccccn2)[C@@H]2CCC[C@@H]21	296518998	ZXYJFNIFWRXUHE-UONOGXRCSA-N	316.405	1.875	50	20	DDGD	
CC(C)(O)CCC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802094605	APLOVUAAMFGKPT-UHFFFAOYSA-N	309.322	1.119	50	20	DDGD	
C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)c1ccccc1F	298154842	YRPBEVACTOTTEV-VIFPVBQESA-N	309.341	1.138	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C1=NN(c2ccccc2)C(=O)CC1	294241291	SEASPIRBXCTYMX-UHFFFAOYSA-N	314.345	1.117	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)[C@H]1CCCCO1	295300367	FBGBCWYDUMPMIA-GFCCVEGCSA-N	307.306	1.233	50	20	DDGD	
Cc1c(NNC(=O)c2c[nH]nc2[N+](=O)[O-])cccc1[N+](=O)[O-]	801635863	DBZFCRKUPOXLBV-UHFFFAOYSA-N	306.238	1.291	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cc(O)ccc1[N+](=O)[O-]	802821227	LGWJYCQFMYBCMX-UHFFFAOYSA-N	318.245	1.966	50	20	DDGD	
O=C(NCCC(=O)OC1CCCCC1)NNC(=O)C1CCC1	802453517	IVWRYHJFUARCJK-UHFFFAOYSA-N	311.382	1.383	50	20	DDGD	
CN(C[C@@H](O)Cc1ccccc1)S(=O)(=O)CBr	293046306	RQULRPMJBTUQBR-NSHDSACASA-N	322.224	1.204	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)N=c1cc[nH]cc1)N1CCCCC1	802029148	HVFXTXPGRDNDAH-CQSZACIVSA-N	319.409	1.167	50	20	DDGD	
CN1CCC(C(=O)NNC(=O)Nc2ccc(Cl)cc2)CC1	802020469	XFGCTDBUTBTCPM-UHFFFAOYSA-N	310.785	1.835	50	20	DDGD	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)N(C)C	299384515	PHDRSFUEMMOCKD-QMMMGPOBSA-N	312.351	1.378	50	20	DDGD	
C[C@H]1CSC[C@@H]1NC(=O)NNc1ccc(-n2ccnc2)nn1	805789995	PLRJTRVJRNUDLZ-UWVGGRQHSA-N	319.394	1.040	50	20	DDGD	
COCCC(Cc1cccc(F)c1)=NNC(=O)c1ccnnc1	817342417	ITMZDLSOGHJJPJ-UHFFFAOYSA-N	316.336	1.981	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1cnn(Cc2ccccc2)c1	815001472	LKUBGPGABYWGIW-UHFFFAOYSA-N	320.356	1.904	50	20	DDGD	
Cc1cc(C)c(C(=O)O)cc1C=NNC(=O)N=c1cc[nH]cc1	815001527	NLUNUGXDMDBSQK-UHFFFAOYSA-N	312.329	1.974	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)CC2CC2)cc1[N+](=O)[O-]	819140252	FVGKKTZHQJMYJH-UHFFFAOYSA-N	307.306	1.093	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CCc2cncs2)c1O	814406853	MUYLWSBZJBDSDI-UHFFFAOYSA-N	321.358	1.251	50	20	DDGD	
CCc1nn(C)c(OC)c1C=NNC(=O)CCN(CC)CC	814757793	RLRIWDGDXVYIJE-UHFFFAOYSA-N	309.414	1.173	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)c(C)o1	814209011	CGTLVYYAFDMIRN-UHFFFAOYSA-N	317.345	1.748	50	20	DDGD	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NN=C2CC(C)C2)cc1	814731433	TUGNMHYOPDVTOL-UHFFFAOYSA-N	323.418	1.518	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cc(C)n(C(C)C)n1	817389357	NQRAHSUOWCRPHH-UHFFFAOYSA-N	316.452	1.838	50	20	DDGD	
O=C(CSc1nncs1)NNc1cccc(Cl)n1	817009189	YLUIAAWHVWWION-UHFFFAOYSA-N	301.784	1.822	50	20	DDGD	
O=C(NNc1ncncc1F)c1c(Cl)cccc1[N+](=O)[O-]	817078213	VONOPINSZQNICB-UHFFFAOYSA-N	311.660	1.934	50	20	DDGD	
CCn1c(NNC(=O)[C@@H]2CC(C)=NO2)nc2ccccc2c1=O	820685055	GCDYHGYSWPQFME-LBPRGKRZSA-N	315.333	1.024	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1ccsc1	825637292	SEOFEDBODZGPMK-UHFFFAOYSA-N	305.359	1.630	50	20	DDGD	
COCCOCCOC(=O)/C(C#N)=C\c1cccc(OC)c1	729095714	UUERJHIJWMOQPL-UVTDQMKNSA-N	305.330	1.808	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](CO)Cc1ccc(C)c(C)c1	491005956	CSSFRDKTBDXATR-RBFDBLARSA-N	302.374	1.767	50	20	DDGD	
Cc1nnc(CC(=O)NN=c2sc3ccccc3n2C)o1	728159112	NSRREABZPVXZQA-UHFFFAOYSA-N	303.347	1.106	50	20	DDGD	
O=C(CCc1cscn1)NNc1ccc(-c2nn[nH]n2)cc1	826408923	AATVZQVARPBFPO-UHFFFAOYSA-N	315.362	1.399	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccc(C2OCCO2)cc1	821750374	FHIOCMIOOKHIJS-UHFFFAOYSA-N	304.346	1.683	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CO[C@@H](C)C2)cc1C	828422621	VQQHAJDAFXWOIE-QWHCGFSZSA-N	321.377	1.190	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)cnn1C	826235993	WHIUDSAGVISTFI-QPEQYQDCSA-N	319.328	1.699	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCC1	823917262	GLHIMHBXTQLXFE-ZYHUDNBSSA-N	315.414	1.024	50	20	DDGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)CC(N)=O)c(C)n1CC(C)C	490610005	FECFSYFGPGLNQJ-VIZOYTHASA-N	316.405	1.612	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1	490947160	KVELRQBDWAWHDS-UHFFFAOYSA-N	313.314	1.082	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)c1ccc(OC)c(OC)c1)C(C)C	491019568	BCJFUDOSHILIQH-LBPRGKRZSA-N	319.361	1.306	50	20	DDGD	
CCOC(=O)NNC(=O)CCOCC(F)(F)C(F)(F)F	495598848	ULXWIBFJSSJCLA-UHFFFAOYSA-N	308.203	1.368	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1c(F)ccc2c1OCO2	823369267	WARBWSXTLLZTRL-UHFFFAOYSA-N	308.187	1.268	50	20	DDGD	
C[C@@H]1CC/C(=C/C(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1	494743458	ZJAAWVJTFUOKQF-UBYNWHESSA-N	311.382	1.405	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1ccccc1	826114075	IQQIIAXYOXVYHS-UBHSHLNASA-N	321.377	1.130	50	20	DDGD	
COc1ccc2nc(C)cc(C(=O)N3CC[C@H](B(O)O)C3)c2c1	585067533	XQZSIRRYNTYFKU-NSHDSACASA-N	314.150	1.241	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)Nc1cc(F)cc(F)c1	491067041	GDAXLFBUHDLURN-UHFFFAOYSA-N	303.272	1.950	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	491802696	GOYOPGFUWFCCAO-JTQLQIEISA-N	318.333	1.553	50	20	DDGD	
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccncn1	495918923	HBUWTJJOFLRUHD-NSHDSACASA-N	323.397	1.859	50	20	DDGD	
COc1cccc(C(C)(C)CNCc2ccc(B(O)O)cc2)c1	585030297	RFJGSBXGSSNUIM-UHFFFAOYSA-N	313.206	1.442	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccccc2)CCOCC1)C1CC1	822192354	JTKAHYKSBMWUIW-UHFFFAOYSA-N	302.374	1.583	50	20	DDGD	
CCOCC(=O)NN=Cc1ccccc1O[C@H](C)C(=O)OC	901185579	REBVUSYHFUSWRZ-LLVKDONJSA-N	308.334	1.114	50	20	DDGD	
COc1ccc(CNC(=O)NNc2cccnn2)cc1C(=O)O	738005034	HMSYEEDDANQPJG-UHFFFAOYSA-N	317.305	1.010	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(C(=O)N(C)C)cc1OC	494660760	YBTZHIYAFHGKMV-UHFFFAOYSA-N	324.337	1.180	50	20	DDGD	
COc1ccccc1CN(C)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	827297358	DYFIZZWRYWZGHU-WCQYABFASA-N	321.377	1.293	50	20	DDGD	
CCN(C[C@@H](C)OC)C(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	491007380	FYPQDOWEAPFRFG-FKZYXTMDSA-N	314.389	1.996	50	20	DDGD	
C[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)c2cccc(B(O)O)c2)C1	584996995	SRSUHBIDEUYTSB-RHSMWYFYSA-N	323.201	1.632	50	20	DDGD	
O=C(CCN1CCOC1=O)NNc1cccc(F)c1[N+](=O)[O-]	495552976	DDFIMZAPLNCGCK-UHFFFAOYSA-N	312.257	1.019	50	20	DDGD	
CCOC(=O)NNC(=O)CCc1cccc(OC(C)(C)C)n1	493514128	WVPJVTGFNUZYGL-UHFFFAOYSA-N	309.366	1.969	50	20	DDGD	
CCCCNC(=O)NN=C1C(=O)Nc2cc(OC)c(F)cc21	834945287	KLMBBYIPHGOIPU-UHFFFAOYSA-N	308.313	1.590	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCCC(=O)c1ccccc1	900384849	MOIBVNHEZPNUOL-UHFFFAOYSA-N	321.377	1.407	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)Cc1cccnc1	732304093	RKLCXFSQZMWUFO-UHFFFAOYSA-N	305.359	1.171	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccccn2)c(Cl)c1	730997406	VBWHUQCUDUVPAW-UHFFFAOYSA-N	305.721	1.818	50	20	DDGD	
CC(C)CNC(=S)NNC(=O)c1cc(Br)c[nH]1	730592925	GHBZYFVIAKMRAW-UHFFFAOYSA-N	319.228	1.542	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)c(F)c1	909546090	SWQUYWQTFSGUMD-OXHMUOHRSA-N	306.293	1.281	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@H]1C[C@@H]2CCCCN2C1=O	836689217	AJYHVCAJZVDWII-RYUDHWBXSA-N	303.366	1.170	50	20	DDGD	
CCCCn1ncc(NC(=O)c2cccc(B(O)O)c2)c1CC	584981578	DXEWROZNEIAWCV-UHFFFAOYSA-N	315.182	1.178	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H]2CCC3(CCCCC3)O2)c(F)c1	585038247	XRGXQQWWWLYETO-HNNXBMFYSA-N	321.201	1.477	50	20	DDGD	
O=C(NNC(=O)C1(Cc2cccc(F)c2)CCC1)c1ncon1	832826019	PENKEHRHAGMERO-UHFFFAOYSA-N	318.308	1.383	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1c[nH]nc1-c1cccnc1	730421420	ZBJIJNIWJDWAKG-UHFFFAOYSA-N	321.340	1.855	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H]2CCCCN2C)c1	737766451	IQXNAXGQFFITMQ-OAHLLOKOSA-N	319.405	1.314	50	20	DDGD	
C[C@@]1(C(=O)NNc2ccc(-n3ccnc3)nn2)CCCCO1	837644237	NWGLPNVEGXMXTH-AWEZNQCLSA-N	302.338	1.065	50	20	DDGD	
CC[C@@H](CC(F)(F)F)NC(=O)NNC(=O)[C@@H]1CCCCO1	836401040	YAAMLQNLXMVRAE-IUCAKERBSA-N	311.304	1.617	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cccc([N+](=O)[O-])c1	831047425	QFGWXMBXGFWBFC-KCJUWKMLSA-N	308.294	1.173	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(N2CCC(O)CC2)cc1	746170946	MXAIVNYPCWRYDP-UHFFFAOYSA-N	320.393	1.002	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(C(N)=O)cc2)cc1	915956610	WOBNHWAZGILNNG-UHFFFAOYSA-N	324.340	1.183	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1ccc2c(c1)CNCC2	841303827	KHPVLZQYKSIONO-UHFFFAOYSA-N	304.394	1.921	50	20	DDGD	
O=C(CCn1ccnc1)NNc1ccc([N+](=O)[O-])cc1Cl	748716670	QKKJEVRCWBNJPL-UHFFFAOYSA-N	309.713	1.978	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)CCOC(C)C)c1	914711940	AOAXRTQDXVWZRX-UHFFFAOYSA-N	310.350	1.280	50	20	DDGD	
CC(C)CN1C[C@@H](C(=O)NNC(=O)NC2CCCCC2)CC1=O	914602520	WFPOUEKVHBNVEY-LBPRGKRZSA-N	324.425	1.154	50	20	DDGD	
CONC(=O)C1CCN(C(=O)[C@@]2(C)C[C@H]2Br)CC1	913791988	HFSQQSFWMDJVGQ-SKDRFNHKSA-N	319.199	1.076	50	20	DDGD	
Cc1ccncc1C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	743289518	XQGYFDWTNAEGGN-UHFFFAOYSA-N	321.340	1.855	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)NC[C@@H]1CCCNC1	841927713	QFPYNDOOJOQORA-GFCCVEGCSA-N	324.812	1.213	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCCOc1ccccc1	843641143	RUZIZCAIASPQNI-TZMCWYRMSA-N	306.362	1.418	50	20	DDGD	
O=C(NC[C@@H]1COCCO1)NNc1ccc(F)cc1Cl	914284662	IQILNQPNLKGILK-SECBINFHSA-N	303.721	1.521	50	20	DDGD	
C=CCN1C(=O)C(=NNC(=O)[C@@H]2CCO[C@H]2C)c2ccccc21	842553267	DRVJPJIUKMTTDC-NWDGAFQWSA-N	313.357	1.465	50	20	DDGD	
Cn1ncnc1C=NNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1	844630225	UMMLWHCCJMUUOG-HIFRSBDPSA-N	313.361	1.433	50	20	DDGD	
CS[C@H]1CC[C@H](NC(=O)NNC(=O)c2ccccc2O)C1	745897618	RBHWABXUMINDNQ-UWVGGRQHSA-N	309.391	1.620	50	20	DDGD	
NNC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1	841100542	JIBJCUARAXPURS-UHFFFAOYSA-N	319.409	1.886	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1ccc(S(C)(=O)=O)o1	848082090	XUUHFKJMEHVRIJ-UHFFFAOYSA-N	300.163	1.559	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2ccc3c(c2)C(=O)CCO3)CC1	841512590	XQXXNWGKYZTAPP-UHFFFAOYSA-N	318.354	1.496	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc2ccccc2n1C	843646364	PQISKKLHTVGACY-JQWIXIFHSA-N	301.346	1.364	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@@H]1CC[C@H]2CNC[C@@H]2C1	842014649	IIOOIFJCEYGSBV-ATZCPNFKSA-N	311.336	1.374	50	20	DDGD	
O=C(NCC1CNC1)NNc1ccccc1OC(F)(F)F	841964730	MXMKOZFJKVJICU-UHFFFAOYSA-N	304.272	1.431	50	20	DDGD	
Cn1ccnc(NNC(=O)c2ccc3ccccc3c2O)c1=O	747942079	URSRXWGPPWXVED-UHFFFAOYSA-N	310.313	1.396	50	20	DDGD	
C[C@@H](CCCCN)NC(=O)NNC(=O)COCc1ccccc1	841998077	YVGJWOVHDVQDDX-ZDUSSCGKSA-N	322.409	1.051	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc(C(=O)O)c(F)c1	849176418	NFUPXUGGNRRTCP-XFFZJAGNSA-N	306.293	1.584	50	20	DDGD	
C[C@H]1CC(C)(C)CCC1=NNC(=O)[C@@H](C)NS(C)(=O)=O	748252593	VXGYBPAELFPBEK-VHSXEESVSA-N	303.428	1.243	50	20	DDGD	
NCC[C@@H](NC(=O)NNC(=O)CC1CCCC1)C(F)(F)F	841333993	VYYHXPBBYSZROK-SECBINFHSA-N	310.320	1.177	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)C(=O)C(C)(C)C)c1	843871121	XPRDJKGZKHGDCI-UHFFFAOYSA-N	306.366	1.838	50	20	DDGD	
Cc1nc(CC2CCN(S(=O)(=O)CCCCl)CC2)no1	921388316	FUJZIDDXNYTSSG-UHFFFAOYSA-N	321.830	1.591	50	20	DDGD	
Cc1c(CC(=O)NC[C@@]2(C)C[C@@H]2Br)cnn1C	857387621	KNANGGIIEVVLSC-CMPLNLGQSA-N	300.200	1.561	50	20	DDGD	
C[C@]1(CCC(=O)NC[C@]2(C)C[C@H]2Br)CCC(=O)N1	857395480	SCUYBOKJRVRTIK-ICCXJUOJSA-N	317.227	1.725	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H]2CC[C@H](C)O2)c1C	854127007	KVVXNYDRQYDSGB-CMPLNLGQSA-N	321.377	1.975	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2csc3cncn23)nc1	759734859	WWOLLNLQJPOFDW-UHFFFAOYSA-N	317.330	1.334	50	20	DDGD	
C#CCN1CCC[C@H](NC(=O)/C(C#N)=C\c2ccc(O)cc2)C1	923567375	YLKDRLFMKZPPFM-QZFKAFNDSA-N	309.369	1.513	50	20	DDGD	
Cc1cc2c(cc1NC(=O)NNC(=O)c1cccnc1)OCO2	757980029	ZYYNUZVCBMIHRK-UHFFFAOYSA-N	314.301	1.585	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CCCS(=O)(=O)C2)cc1F	856227879	MORGFWRSXNGCKP-JTQLQIEISA-N	300.355	1.402	50	20	DDGD	
CSC1(CNC(=O)c2cccc(B(O)O)c2)CCCCC1	924245386	GHWDQEUHXGTWRT-UHFFFAOYSA-N	307.224	1.162	50	20	DDGD	
Cc1ccnc2nc(C(=O)NC[C@@]3(C)C[C@@H]3Br)nn12	857689413	KZLZDYULUJMUJK-QPUJVOFHSA-N	324.182	1.336	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)CCC2CCC2)c1	750395014	KKKPNXDLADKYAA-UHFFFAOYSA-N	318.373	1.880	50	20	DDGD	
C/C(C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)=C\c1ccccc1	920382532	YWPDFHBTJYTKRE-SUQMCJMGSA-N	321.402	1.562	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)CNc1ccc(C#N)cc1)C1CC1	855103594	WMNZCVFFDHMQLV-JTQLQIEISA-N	317.418	1.264	50	20	DDGD	
CC(C)Oc1c(Cl)cccc1NC(=O)NNC(=O)CO	756643950	WKLYUZSLOSCNGX-UHFFFAOYSA-N	301.730	1.272	50	20	DDGD	
O=C(CCN1CCN(c2ccccc2)CC1)NN=CC1CC1	755482641	ZTGZPIKZZNGQSV-UHFFFAOYSA-N	300.406	1.711	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)c2cc[nH]n2)cc1	855361623	FSWSPUJSTOUGBZ-UHFFFAOYSA-N	302.334	1.663	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@H]1Cc2cccc(O)c2C1	759726665	VLCUZTFFUGMJCT-YPMHNXCESA-N	319.405	1.031	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	755050462	ZRBYTGXFJUZIIK-GHMZBOCLSA-N	312.341	1.413	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)OCC(F)(F)F)c1O	856025496	RHYYUTSMDYHELT-UHFFFAOYSA-N	308.212	1.334	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCOCCCOC)cc1	854215285	FCCBFQCILVORPV-UHFFFAOYSA-N	308.378	1.453	50	20	DDGD	
COc1cc(C)cnc1C(=O)NNc1ccnc(N(C)C)n1	754249303	XDJAFUIVCOBOTH-UHFFFAOYSA-N	302.338	1.012	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CC[C@H]2C[C@@H]2C1	852636386	SULQPKHKYMFCBA-LSDHHAIUSA-N	301.390	1.027	50	20	DDGD	
COCc1cccc(C=NNC(=O)C(=O)Nc2ccccn2)c1	758388096	WBBGBWVVHFDQKA-UHFFFAOYSA-N	312.329	1.317	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2C=CCC2)cc1OC	851936168	WFQMDQAVNWFGKF-LLVKDONJSA-N	305.334	1.366	50	20	DDGD	
NC[C@H]1OCC[C@H]1C(=O)NNc1c(Cl)cccc1Cl	852808316	SAZLHHDGMCUBPV-GMSGAONNSA-N	304.177	1.800	50	20	DDGD	
COC1(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)CCCCC1	853389486	KIMXGRFOAQTHMS-KGLIPLIRSA-N	309.410	1.301	50	20	DDGD	
C[C@H](O)CN1CCN(C[C@H](CBr)C2CC2)[C@H](C)C1	859263464	ZZROVEJYBRRSAB-DYEKYZERSA-N	319.287	1.794	50	20	DDGD	
CC1(C)CS(=O)(=O)CCN1C[C@H](CBr)C1CC1	859257855	GHZKRORBVRFTMQ-NSHDSACASA-N	324.284	1.917	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2cccnc21)NC1CCCCC1	854192570	QBFPUMNZHFTYOO-CYBMUJFWSA-N	302.378	1.775	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@H](C)N(C)C2CC2)c1	858283540	LILIHEZLHORLAJ-JTQLQIEISA-N	310.423	1.483	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)[C@]1(O)CCc2ccccc2C1	857730360	QTTWRNYTGIQWGP-HNNXBMFYSA-N	318.764	1.493	50	20	DDGD	
C[C@@H]1CC/C(=C\C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)C1	753633971	QJNOGHFTKKZXEV-YURTZEIPSA-N	300.424	1.225	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)c2ccccn2)cccc1[N+](=O)[O-]	755405859	ROWLSPZOIPDBOR-UHFFFAOYSA-N	315.289	1.765	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc3nc[nH]c3n2)c(O)c1	757865024	FCEBOXGCLUKTHC-UHFFFAOYSA-N	311.301	1.047	50	20	DDGD	
CSSCCNC(=O)NCCN1C[C@H](C)OC[C@H]1C	854051311	QYHAZRLRCNYMAH-MNOVXSKESA-N	307.485	1.406	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)c1ccc2nc[nH]c2n1	758325932	RBDWDCUVNUIHMY-UHFFFAOYSA-N	321.300	1.364	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1nc(-c2ccccc2)cs1	755609585	AADXLJYUWBQAJL-UHFFFAOYSA-N	316.386	1.785	50	20	DDGD	
C=CCOc1ccc(C(=O)NN(C)C(=S)NC)cc1OC	854926734	JMVPXXRPIHIAHV-UHFFFAOYSA-N	309.391	1.341	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNCC(F)(F)C(F)(F)F)[C@@H]1C	863103404	YJESNWZVCXAZGL-CWKFCGSDSA-N	304.259	1.864	50	20	DDGD	
O=C(NNc1ccc(F)c(Cl)c1)[C@H]1CCc2nncn2C1	863082675	QISIESIABKGIDT-QMMMGPOBSA-N	309.732	1.776	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNc2cnccn2)c(C)c1	766257609	WYUOFOGAARKCQT-UHFFFAOYSA-N	315.333	1.266	50	20	DDGD	
Cc1c(C(=O)NN[C@H](C)C(F)(F)F)nnn1CC1CCCC1	862318108	PGZHZOYUFFNNDD-SECBINFHSA-N	319.331	1.962	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCC(=O)Nc1ccccc1	866694528	HYQCYTHEDJWSNY-UHFFFAOYSA-N	318.826	1.810	50	20	DDGD	
C[C@@H](OCc1ccncc1)C(=O)NNC(=O)CC(F)(F)F	869020645	MIQAFHFAKQZGSA-MRVPVSSYSA-N	305.256	1.087	50	20	DDGD	
CCO[C@H]1COCC[C@@H]1NC(=O)NNc1cccc([N+](=O)[O-])c1	760130552	HWERWVDKHWIJIY-STQMWFEESA-N	324.337	1.415	50	20	DDGD	
CCOc1cccc(C=NNC(=O)Cc2csc(C)n2)n1	763144091	XSKBIXSISDIARJ-UHFFFAOYSA-N	304.375	1.938	50	20	DDGD	
Cc1c(C(=O)NNc2ncc(F)cn2)[nH]c2c1C(=O)CCC2	760906954	YWRORPSXQOVMMQ-UHFFFAOYSA-N	303.297	1.528	50	20	DDGD	
Cc1ccn2c(=O)c(C(=O)NN[C@H](C)C(F)(F)F)cnc2c1	862310339	VRZWYYNWGGEQFW-MRVPVSSYSA-N	314.267	1.188	50	20	DDGD	
C[C@H](NC(=O)c1cccs1)C(=O)NN[C@H](C)C(F)(F)F	862307177	UOUOTRFNLLFDCC-NKWVEPMBSA-N	309.313	1.438	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)c2cc(C)[nH]n2)[C@H](C)C1	761266178	DYUVPONDCDYJLJ-KOLCDFICSA-N	306.366	1.803	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CC(F)(F)F)cc(OC)c1O	763959482	RWLBCJGEJHJORR-UHFFFAOYSA-N	322.239	1.123	50	20	DDGD	
COc1ccc([C@H](C)C(C)=NNC(=O)[C@H]2CCC(=O)N2)cc1	863148480	CUNOALIAJGHBGH-QMTHXVAHSA-N	303.362	1.569	50	20	DDGD	
CC(=NNC(=O)CS(C)(=O)=O)c1cc(Cl)cc(Cl)c1	863187468	MMDPLNKTXLWYEA-UHFFFAOYSA-N	323.201	1.878	50	20	DDGD	
O=C(NNc1cccc(F)c1Cl)C1(CO)CCOCC1	862508680	WVFWIXGESNZUKB-UHFFFAOYSA-N	302.733	1.711	50	20	DDGD	
Cc1c(C(=O)NN[C@H](C)C(F)(F)F)cnn1-c1ccccn1	862306449	AGWAASKKGBBACX-SECBINFHSA-N	313.283	1.761	50	20	DDGD	
Cn1ccnc(NNC(=O)c2cccc([C@@H]3CCOC3)c2)c1=O	762254843	IXOLPCNNUMLRMD-CYBMUJFWSA-N	314.345	1.041	50	20	DDGD	
O=C(Cn1nnc(-c2ccccc2)n1)NN=C[C@H]1C[C@H]2CC[C@H]1C2	762418402	OBNTZFPLLKKSOO-AEGPPILISA-N	324.388	1.878	50	20	DDGD	
CN1CCC(C=NNC(=O)c2nnc(-c3ccccc3)o2)CC1	872345223	NPJZZLKCLZNFPF-UHFFFAOYSA-N	313.361	1.794	50	20	DDGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)[C@@H](O)c1ccccc1	874751481	FRZGCRXKCDVISY-NPTTZVSOSA-N	324.384	1.955	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)c1cnn2ncccc12	765426123	VYAQTHMXRGUFOC-UHFFFAOYSA-N	311.330	1.491	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H](C)COCc1ccccc1	875143879	ZMHWWNWCYGLABR-GFCCVEGCSA-N	309.366	1.752	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1ccc(OC(F)F)cn1	773784959	MUHSYZKSKPITKE-UHFFFAOYSA-N	323.255	1.463	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cccc3c2OCCO3)n1	775544070	MYPOTWASBLCMBJ-UHFFFAOYSA-N	317.305	1.405	50	20	DDGD	
COC(=O)Cn1cccc1C=NNC(=O)Cc1ccccc1F	776186882	XIJFIDVMCFLVFU-UHFFFAOYSA-N	317.320	1.493	50	20	DDGD	
COCCc1ncc(C=NNC(=O)Cc2csc(C)n2)s1	872332588	PSFUWNRUZDQBSZ-UHFFFAOYSA-N	324.431	1.790	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1CC2(CCC2)Oc2ccccc21	877095682	SMPFIZYTBLUTRM-QGZVFWFLSA-N	323.201	1.903	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@@H](C)c1cccc(NC(C)=O)c1	774863805	NNUNVLDEUBZUIN-QWRGUYRKSA-N	320.393	1.242	50	20	DDGD	
Cc1cccc(NNC(=O)NC[C@@H](c2ccco2)N(C)C)n1	874995876	VSVLVNMEKKKQAS-LBPRGKRZSA-N	303.366	1.912	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2)on1)c1ccncn1	778333428	YYFGVROSUASONA-UHFFFAOYSA-N	309.285	1.206	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](NC(=O)NNc2ccc(C(C)(C)C)nn2)C1	1117946407	YIRXDUTVDMIJET-AOOOYVTPSA-N	321.381	1.352	50	20	DDGD	
CC[C@H]1C[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)CCO1	779865861	SLWJSMUMMMYOEE-NEPJUHHUSA-N	320.345	1.382	50	20	DDGD	
CCCNC(=O)c1ccc(NC(=O)NN(C)CCOC)cc1	878376776	ZVGTWTBXLZIYRE-UHFFFAOYSA-N	308.382	1.441	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)[C@@H]2CCCOC2)cc1	874951155	LDLJVQOSGCCGMO-LLVKDONJSA-N	322.434	1.497	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2cccc(Cl)c2)nn1C	773741607	TZEJMBSQYHXMEL-UHFFFAOYSA-N	307.741	1.464	50	20	DDGD	
CNc1ccc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)cc1	772315508	JWNUTLSYHVKSRZ-LLVKDONJSA-N	321.377	1.467	50	20	DDGD	
Cc1ccc2cccnc2c1S(=O)(=O)NNC(=O)C1CCC1	777932283	IMJHQIDMUDNSHN-UHFFFAOYSA-N	319.386	1.653	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Nc1ccc(N(C)C)cc1)n1cccc1	1116951502	KKOGCOJADAREHI-LBPRGKRZSA-N	315.377	1.968	50	20	DDGD	
Cc1c(NC(=O)C(=O)NNc2ccc3ccccc3n2)cnn1C	773655836	ZYKREIJJUYWVQV-UHFFFAOYSA-N	324.344	1.359	50	20	DDGD	
O=C(NN=Cc1cscc1Cl)N[C@@H]1CCS(=O)(=O)C1	771877483	RHDQAUPWXULRGW-MRVPVSSYSA-N	321.811	1.222	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc2nc(C(F)(F)F)cn2c1	770223989	VAEQQLPDKBWAQK-UHFFFAOYSA-N	315.255	1.317	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2nccnc2C(C)C)ccn1	772892184	ZMXNNJKPFRITKQ-UHFFFAOYSA-N	315.333	1.539	50	20	DDGD	
O=C(C[C@H]1C=CS(=O)(=O)C1)NNc1ccc(F)c(F)c1	885109868	HILFMICDTVJRMW-MRVPVSSYSA-N	302.302	1.356	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H]2CCc3c(Cl)cccc32)nc1O	776222079	FJTPQHLSVPCQFL-SNVBAGLBSA-N	319.752	1.712	50	20	DDGD	
CC(C)C(=O)N1CCCN(S(=O)(=O)CCCCl)CC1	881859560	XYUMVBJOQPAWBE-UHFFFAOYSA-N	310.847	1.135	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1F)[C@H]1CN2CCCN1CC2	885107264	BJDPAUBWDJSNDM-CYBMUJFWSA-N	312.776	1.312	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCC(=O)NCc1cccc(C#N)c1	786674800	CTUNJRVPIKZYCX-CHHVJCJISA-N	309.325	1.578	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@@H]1CCc2cc(F)ccc21	883190910	ODJCBURQISOYAG-CQSZACIVSA-N	321.352	1.570	50	20	DDGD	
Cn1cnc(-c2cccc(OS(=O)(=O)CCCCl)c2)n1	882118231	SODJSPRJPKQOQK-UHFFFAOYSA-N	315.782	1.820	50	20	DDGD	
CCc1nc(C(C)C)ccc1C(=O)NNC(=O)C1CCOCC1	883069944	BHFVJBWVNZJJIM-UHFFFAOYSA-N	319.405	1.955	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@H]2CCOC3(CCC3)C2)c1	888810226	WXDSCEJHDDQVIK-AWEZNQCLSA-N	313.357	1.669	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNC(=O)c2cccnn2)cc1	882056635	BGBIGAFANSYFLA-LLVKDONJSA-N	314.345	1.125	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(NC(N)=O)cc2)nc1	781533534	ICLAXAPEWUFDTG-UHFFFAOYSA-N	301.306	1.338	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc2c(c1)CCOC2	899999128	ABNAUSBVCHZJQP-UHFFFAOYSA-N	307.419	1.667	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)cc1)[C@@]1(C)CCCO1	782178019	YXFIRNWDUBWVHA-MRXNPFEDSA-N	303.362	1.995	50	20	DDGD	
COc1ccc(NNC(=O)CCCn2ccccc2=O)nc1	781525384	LHBGBTDPEROGSN-UHFFFAOYSA-N	302.334	1.175	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H](C)C[C@H]2CCOC2)c1	780841445	HMNFQOWPHNYESA-NWDGAFQWSA-N	321.377	1.914	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc(OC2CCCC2)nc1	781682034	LOTBNVFRXJVIGN-UHFFFAOYSA-N	318.377	1.757	50	20	DDGD	
Cc1cc(CC(=O)NN=C2CCOc3c(F)ccc(F)c32)n[nH]1	783820424	HFXBTFWTPBKRDS-UHFFFAOYSA-N	320.299	1.842	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccccc1OCC(=O)OC	899368229	FZOYTOSANTUDLT-LCYFTJDESA-N	323.370	1.928	50	20	DDGD	
CN1C[C@H]2CN(C(=O)NC[C@@]3(C)C[C@@H]3Br)C[C@H]2C1	895922175	HMFAHPSDMQLEFO-SRRSOLGSSA-N	316.243	1.363	50	20	DDGD	
CC[C@@H]1CCC[C@H](C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1	783831299	KFQPFHSNWQHTTH-AGIUHOORSA-N	315.439	1.675	50	20	DDGD	
CCc1csc(NC(=O)C(=O)NNC(=O)CC2CCCC2)n1	789735522	QXFBPDJYFBOWGQ-UHFFFAOYSA-N	324.406	1.372	50	20	DDGD	
COCCCNC(=O)NN=C1CCC(=O)Nc2ccccc21	783832022	DYIBLGUTPJHOPG-UHFFFAOYSA-N	304.350	1.459	50	20	DDGD	
COc1cncc(C(=O)NNC(=O)c2cccc3ccccc23)n1	790661498	HFQVWUNFWHELDN-UHFFFAOYSA-N	322.324	1.713	50	20	DDGD	
COCc1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)no1	794856399	JTYIJHNLMHVTKM-UHFFFAOYSA-N	304.262	1.493	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NOCC(F)F)c1ccccc1	793176307	DOXIOKJQLUZTAO-SNVBAGLBSA-N	301.293	1.707	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1cccc(=O)n1C	798312684	JDCBEZBMUQBZRF-UHFFFAOYSA-N	300.318	1.160	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)c1cn2c(n1)CCCC2	799834696	HSGTVRMOOQMQQO-UHFFFAOYSA-N	307.357	1.946	50	20	DDGD	
CSSCCNC(=O)c1ccc(=O)n(-c2ccccc2)n1	791155384	PBZZHYZLMGFZRI-UHFFFAOYSA-N	321.427	1.974	50	20	DDGD	
CN1CCN(C(=O)NN=CC2=Cc3ccccc3OC2)CC1	790178903	NRWRWLVOSBJCFR-UHFFFAOYSA-N	300.362	1.405	50	20	DDGD	
COC(=O)c1ccc(Cl)c(C=NNC(=O)c2cnn(C)c2)c1	794851011	LXIQOSXEURUUFX-UHFFFAOYSA-N	320.736	1.624	50	20	DDGD	
COC(=O)c1csc(C(C)=NNC(=O)N2CCOCC2)c1	794903569	NNKIEZQSXKFZQN-UHFFFAOYSA-N	311.363	1.301	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)SCC(=O)OCc1ccccc1	794447917	FGKQEFGILROHBQ-NSHDSACASA-N	324.402	1.409	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1occ2c1CCC2	796342595	UKIHKOUIYVMXJB-UHFFFAOYSA-N	311.301	1.970	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)n1	792039115	FTWVEORMJRIVOD-OAHLLOKOSA-N	320.356	1.791	50	20	DDGD	
Cc1cnccc1CCNC(=O)NNc1nncc(N)c1Cl	1319487444	QNQNVIOYPLYLME-UHFFFAOYSA-N	321.772	1.284	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1ccc2nonc2c1	1325037382	BJCVRIGZRSJKOH-UHFFFAOYSA-N	323.272	1.425	50	20	DDGD	
Cc1ccc(O)c2c1[C@@H](C)CC2=NNC(=O)C(=O)NC(C)C	1322000325	KHLVHAVFJKQZHI-JTQLQIEISA-N	303.362	1.553	50	20	DDGD	
Cc1ccc(CO[C@H](C)C(=O)NNC(=O)c2ccc[nH]2)cc1	1329159326	MRPPTUMJCVLZBQ-GFCCVEGCSA-N	301.346	1.689	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1nccc(Cl)c1F	1326379701	BAFVUEKATHOEAQ-NKWVEPMBSA-N	301.705	1.060	50	20	DDGD	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NNc1ccn(C)n1	1326696787	CVYDMWAEBKZCOS-SECBINFHSA-N	321.362	1.952	50	20	DDGD	
Cc1nc(Cn2nnc(C(=O)NNc3ccccc3)c2C)no1	1320951519	DOMMRXMFMNYVKT-UHFFFAOYSA-N	313.321	1.083	50	20	DDGD	
C/C(C=NNC(=O)C[N+](C)(C)C)=C\c1cccc([N+](=O)[O-])c1	1325010716	DQKWCPJZQFLYHN-YVTHWAFRSA-O	305.358	1.806	50	20	DDGD	
O=C(NNC(=O)c1ccc(O)cc1O)Nc1cc(F)cc(F)c1	1321449063	NFEFENJZECLDAM-UHFFFAOYSA-N	323.255	1.843	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccccc1COC(C)(C)C	1336661237	MGYYXSZEOCMHJS-UHFFFAOYSA-N	321.377	1.498	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2ccc([S@](C)=O)cc2)n[nH]1	1339942848	UYVWTPWHRQHTBK-NRFANRHFSA-N	304.375	1.148	50	20	DDGD	
N#CCOc1cccc(CNS(=O)(=O)CCCCl)c1	1330807385	ZNWAWYFKHDLVQW-UHFFFAOYSA-N	302.783	1.637	50	20	DDGD	
Cn1ccc(NNC(=O)c2csc(N3CCCCC3)n2)n1	1262120361	ABGQQRVZXBZSRH-UHFFFAOYSA-N	306.395	1.624	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CCCN2CC(C)C)nc1	1262616675	WIKZMMCJSQOAMY-CYBMUJFWSA-N	320.393	1.432	50	20	DDGD	
Cc1cccc(NNC(=O)NCCC(=O)N2CCC[C@@H](C)C2)n1	1351577571	FHDRKWAYZPIDKX-GFCCVEGCSA-N	319.409	1.665	50	20	DDGD	
COC1CCC(C(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1	1605026966	QSYIBPPYXHJZJV-UHFFFAOYSA-N	316.365	1.515	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccc3nccn3c2)c(F)c1	1608904938	QHVABYUSAAVBDC-UHFFFAOYSA-N	314.276	1.929	50	20	DDGD	
O=C(NN[C@@H](C(=O)O)c1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@H]1O2	1608552481	IXUOOGCBVPEBCN-YVECIDJPSA-N	324.764	1.654	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNc1ccccc1C(=O)O	1609883843	VPDRRMXOMPSPDE-ZDUSSCGKSA-N	319.361	1.619	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)[C@H]1CCN1C1CCCC1	1608948153	BNDGWCKIQYAGEF-CQSZACIVSA-N	303.362	1.845	50	20	DDGD	
CC[C@H](CNC(=O)NNc1c(F)cc(F)cc1F)C(=O)O	1603566246	XSSXHMROBGJDNP-ZCFIWIBFSA-N	305.256	1.841	50	20	DDGD	
C[C@@H](C#N)C(=O)NNc1cc(C(=O)O)ccc1Br	1603129387	FKIZXPUSTGHTFC-LURJTMIESA-N	312.123	1.750	50	20	DDGD	
O=C(NNc1ccnc(C(F)(F)F)c1)c1cc(C(=O)O)on1	1608484633	XVXHPAZBSZCGDJ-UHFFFAOYSA-N	316.195	1.544	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H](C(=O)O)C(C)C)c(C)c1	1605296858	QAYDSRUQWASQKV-AWEZNQCLSA-N	321.377	1.220	50	20	DDGD	
N#Cc1cnc(C(=O)NNc2ccc(C(=O)O)cn2)c(Cl)c1	1610633726	QLWUZCQRHGUQPN-UHFFFAOYSA-N	317.692	1.457	50	20	DDGD	
COCC[C@@H]1CCCC1=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549320655	NAANUKDEEWSIDW-KCQAQPDRSA-N	309.410	1.158	50	20	DDGD	
O=C(O)C12CCC(C(=O)NNc3ncncc3Cl)(CC1)CC2	1610729550	JVRNLIWECZNHFT-UHFFFAOYSA-N	324.768	1.998	50	20	DDGD	
CO[C@]1(C)CC(=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)C1(C)C	1549318727	QVJKKQJTPGSCIK-HWWQOWPSSA-N	309.410	1.157	50	20	DDGD	
CN(CCN1CCCC1=O)C[C@H](CBr)C1CC1	859138694	HPTZOGOHZHXCDZ-LBPRGKRZSA-N	303.244	1.962	50	20	DDGD	
CC(C)N1CCN(C[C@H](CBr)C2CC2)CC1=O	859242605	JAVBQBWHUUVCGJ-LBPRGKRZSA-N	303.244	1.960	50	20	DDGD	
O=C(NN=C1CCCc2sccc21)[C@H]1CN2CCC[C@H]2CO1	1549322391	YRRINZWDTDARCD-SMDDNHRTSA-N	319.430	1.768	50	20	DDGD	
Cn1c(=NNC(=O)[C@H]2C[C@@H]3[C@H](N)C[C@H]3C2)sc2ccccc21	1553398164	RSXOKTYQKWOHHW-WISYIIOYSA-N	316.430	1.545	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@H]1C=NNC(=O)C1CCOCC1	1552917683	CHDBBAKKLHNJHS-ZFWWWQNUSA-N	320.393	1.416	50	20	DDGD	
CCCNNC(=O)[C@@H]1CC(=O)N(CC)[C@H]1c1cccc(C)c1	1577574653	LAWRHQQTMSNRNR-ZBFHGGJFSA-N	303.406	1.935	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](F)[C@H]2CCNC2)cc1F	1578870981	NFQHBEIWANZQCM-QPUJVOFHSA-N	313.304	1.003	50	20	DDGD	
CC(C)[C@H](N)C(C)(C)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	1575447498	OGMUQBYLTOCDRE-LBPRGKRZSA-N	322.365	1.365	50	20	DDGD	
CC[C@H]1NCC[C@@H]1C(=O)NNC(=O)COc1ccc(C)c(C)c1	1577309655	YMEXNZZVZQJXHY-LSDHHAIUSA-N	319.405	1.218	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)CCN1	1576295746	SZLFDGBDNAQPSB-IJLUTSLNSA-N	323.368	1.129	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H]2C[C@@H](C)CCN2)c1	1574767057	ZBAOQLSWORVQJN-SMDDNHRTSA-N	316.430	1.374	50	20	DDGD	
CC(C)(C)[C@@H](C(=O)O)C(=O)NNC(=O)OCC(F)(F)F	1588634301	IMOWWHDLAUCSRF-RXMQYKEDSA-N	300.233	1.053	50	20	DDGD	
CC[C@@H](CNC(=O)NNc1cccc(C(=O)OC)c1)C(=O)O	1589539771	XQUJRHHZTGLCRP-VIFPVBQESA-N	309.322	1.210	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H]2CC[C@H]2C(=O)O)cc1C	1591176800	ZWZBSBMOBRRNEF-CHWSQXEVSA-N	320.345	1.726	50	20	DDGD	
COCc1ncc(C(=O)NNc2ccc(CC(=O)O)cc2)s1	1599304379	LREZSCPGYQKKBS-UHFFFAOYSA-N	321.358	1.674	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(C)Cc1ccc(OCC(=O)O)cc1	1596860311	IRNPOIIPVMERBN-JLHYYAGUSA-N	318.329	1.552	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2cnc3cnccn23)cc1	1776099848	CUSJALOUOLRPJS-UHFFFAOYSA-N	309.285	1.191	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)CSc2nnnn2C2CC2)c1	150768740	XGBZDZHWTJLFDU-UHFFFAOYSA-N	322.369	1.691	50	20	DDGD	
CN(CC(=O)NNc1ccc(C(C)(C)C)nn1)[C@@H]1CCSC1	161729959	SWSSGKIHNIGQLB-LLVKDONJSA-N	323.466	1.655	50	20	DDGD	
O=C(NC1CC1)c1cc(F)c(NNC(=O)c2ccon2)c(F)c1	160009702	WUQKOMMLRBQQLG-UHFFFAOYSA-N	322.271	1.602	50	20	DDGD	
COCCC(=O)NNC(=O)c1cc(-c2cc(C)ccc2C)n[nH]1	152793038	YAVDPJJXXHPPMR-UHFFFAOYSA-N	316.361	1.491	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@H](c1ccccc1)C1CC1	157123919	JPLLXCPHMMSYQW-QGZVFWFLSA-N	309.369	1.965	50	20	DDGD	
O=C(NNc1nccc(N2CCOCC2)n1)C(C1CC1)C1CC1	157294309	OIQCWFIALNOCIW-UHFFFAOYSA-N	317.393	1.193	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ccc(F)c(F)c2F)cc1	156945767	XFJFLWLXJBJJBU-UHFFFAOYSA-N	309.247	1.960	50	20	DDGD	
Cc1cc(F)c(S(=O)(=O)NNC(=O)OC(C)(C)C)cc1F	154815171	KARCPJIUNUSIDM-UHFFFAOYSA-N	322.333	1.991	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cccc(F)n2)cc1	159466389	JNAHEYSEQFJKIZ-UHFFFAOYSA-N	302.309	1.402	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccc(F)cc2)cc1	584932	ZTTUNEANYHCWPW-UHFFFAOYSA-N	302.305	1.974	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)NNc2ncccn2)C1	56946997	XVXJNFTVPLMRIP-FRRDWIJNSA-N	306.414	1.469	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Nc1ccncc1	56501784	VRDJOTGWZQQGMX-UHFFFAOYSA-N	300.318	1.486	50	20	DDGD	
O=C(CN1CCCCC1=O)NNc1cc(F)c(F)c(F)c1	175476810	HRNZTHUVLVLNDF-UHFFFAOYSA-N	301.268	1.560	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)C1CCOCC1	104629349	VAHCPHNOPCRISH-UHFFFAOYSA-N	301.346	1.215	50	20	DDGD	
O=C(CNC(=O)NCc1ccco1)NNc1cccc(Cl)c1	56422663	RUHLPYCOZAXXON-UHFFFAOYSA-N	322.752	1.876	50	20	DDGD	
O=C(NNc1ncccn1)N[C@H]1C[C@@H]1c1c(F)cccc1F	116562436	OLJMJPQERFZVGV-KWQFWETISA-N	305.288	1.937	50	20	DDGD	
C[C@@H]1COCCN1C(=O)NNC(=O)Cn1ccc2ccccc21	104819508	QECDDZMHUOYGHC-GFCCVEGCSA-N	316.361	1.103	50	20	DDGD	
CCOCCCCNC(=O)NNC(=O)Cc1ccccc1F	109017420	MDZAOVGIANXBJV-UHFFFAOYSA-N	311.357	1.515	50	20	DDGD	
C[C@H]1CC[C@H](NC(=O)NNc2ccc(-n3cccn3)nn2)CC1	108585544	PJVFJCJIBVTVDF-TXEJJXNPSA-N	315.381	1.867	50	20	DDGD	
CC[C@H](OC)C(=O)NNC(=O)c1ccc(Br)s1	68177230	UEOKVTVTRUSYJN-LURJTMIESA-N	321.196	1.697	50	20	DDGD	
CNC(=O)NNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	103074059	FPPGATNQMYJBQS-UHFFFAOYSA-N	310.313	1.924	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccn(-c2cccc(F)c2)n1	63122677	FVMDIJPDNYRFQD-UHFFFAOYSA-N	319.365	1.306	50	20	DDGD	
N#Cc1cccc(NNC(=O)NCCOC[C@@H]2CCCO2)c1	115846114	NTHINBVXCLEPDZ-AWEZNQCLSA-N	304.350	1.380	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCCOCC(C)C	67456467	NTBWVDXQRUEOAN-UHFFFAOYSA-N	323.393	1.702	50	20	DDGD	
CN([C@H]1CCNC1)S(=O)(=O)c1ccc(CCCCl)cc1	178944190	YTQYFBCZESJUCR-ZDUSSCGKSA-N	316.854	1.840	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCOC1)c1cc2ccccc2cc1O	66897395	JULXCFDPBRLQMM-LBPRGKRZSA-N	300.314	1.343	50	20	DDGD	
Cc1nn(C)cc1C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	113413940	ASRVGLYNVOXBGG-UHFFFAOYSA-N	324.344	1.193	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc2ccccc2s1	65207451	AHQPHUXSQZLMPY-UHFFFAOYSA-N	307.375	1.882	50	20	DDGD	
O=C(NNc1ncccn1)c1cn(Cc2cccc(F)c2)nn1	119538189	WVSFVOMLLXUVTB-UHFFFAOYSA-N	313.296	1.012	50	20	DDGD	
CC(C)(C(=O)NNc1cccnn1)c1ccc2c(c1)OCCO2	178400366	VVPRJMFWYUDEFC-UHFFFAOYSA-N	314.345	1.669	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1ccc2ncccc2c1	126848680	KYNDYJQEDICLKN-UHFFFAOYSA-N	310.313	1.972	50	20	DDGD	
Cc1cccc(NNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1	120666594	HVCXPUSJIMKSSB-UHFFFAOYSA-N	309.325	1.978	50	20	DDGD	
CC(C)C(=O)NCCNC(=O)/C(C#N)=C\c1ccc(F)cc1	181777315	WPLNPMDVAGWSRB-LCYFTJDESA-N	303.337	1.621	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)Nc1ccc(F)nc1	183241902	ICNIWYHSOPSBQZ-UHFFFAOYSA-N	306.272	1.755	50	20	DDGD	
COc1cccc(NNC(=O)Nc2cnn(CC3CC3)c2)n1	184046527	BYIFUNKGNFIWHJ-UHFFFAOYSA-N	302.338	1.845	50	20	DDGD	
O=C(C[C@@H]1COC(=O)C1)NNC(=O)c1ccc(Cl)cc1F	124308603	QGYCTZMUHJYFRM-ZETCQYMHSA-N	314.700	1.193	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C2(O)CCCCC2)cc1	127896469	BQTZIHUMDPMTKM-UHFFFAOYSA-N	306.362	1.216	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)C[C@H]2C=CCCC2)cc1	188877390	GGJLZYKTXMZUNN-ZDUSSCGKSA-N	313.357	1.831	50	20	DDGD	
CCCN(CCC)CC(=O)NNC(=O)Cc1nc(C)cs1	75634263	QRQIUNCHGWIGDC-UHFFFAOYSA-N	312.439	1.263	50	20	DDGD	
CCc1ccc(C(=O)NNc2ncc(F)cn2)cc1[N+](=O)[O-]	122751892	LBRYLGHQLPSZAW-UHFFFAOYSA-N	305.269	1.843	50	20	DDGD	
CCCn1cc(NC(=O)NNC(=O)Cc2cccnc2)cn1	186219521	FPYYLSDOSQSBRV-UHFFFAOYSA-N	302.338	1.084	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H](COC)C2CC2)cc1	126566291	PMAXBDBVNASNRI-CQSZACIVSA-N	305.378	1.618	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cc([N+](=O)[O-])ccc1O	182143517	HIUQFQMXVLOEAN-UHFFFAOYSA-N	318.245	1.966	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1ccc(Br)cc1C	131766745	QVSOBNVXXNKRJQ-UHFFFAOYSA-N	307.169	1.087	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCc1ccsc1	46038250	UTDIFZDIGHJLGB-UHFFFAOYSA-N	307.350	1.960	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc(F)cc2[N+](=O)[O-])n1	134502553	PVEQJLXLOYZSSG-UHFFFAOYSA-N	307.241	1.289	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](C)Oc1cccc(C)c1	132068017	IYOYFLKDASDVHS-NSHDSACASA-N	302.334	1.704	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCC(C)(C)N(C)C)cc(C#N)n1C	42158646	MFPZJHHKCXYTNM-VGOFMYFVSA-N	313.405	1.569	50	20	DDGD	
Cc1ccc(C(=O)NCC(=O)NN(C)c2ccccc2)s1	139109420	VTVUIZXWYOZLTK-UHFFFAOYSA-N	303.387	1.954	50	20	DDGD	
C[C@H](Cc1cccc(Cl)c1)C(=O)NNc1nccn(C)c1=O	132525240	WRBCKFBQEUGUKF-SNVBAGLBSA-N	320.780	1.756	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cc(-c2cccs2)n[nH]1	131362831	WNQMUFDIWFDLRZ-UHFFFAOYSA-N	318.280	1.852	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)NC(C)C)cc1	42839828	RJURFWBLILUIOR-LLVKDONJSA-N	309.366	1.591	50	20	DDGD	
O=C(C[C@H]1COC(=O)C1)NNc1ccc(-c2ccccc2)nn1	132178786	FPALCCWARFGXCZ-LLVKDONJSA-N	312.329	1.540	50	20	DDGD	
Cc1ccc(C(=O)NN)cc1S(=O)(=O)Nc1ccc(F)cc1	194120558	JAMKAILEVVFGRG-UHFFFAOYSA-N	323.349	1.538	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC(c2ccccc2)=NO1)c1ccncc1	192478425	CTAFAGGNYKRQLH-AWEZNQCLSA-N	310.313	1.036	50	20	DDGD	
CCc1noc2ncc(C(=O)NNc3nc4ccccn4n3)cc12	191903583	PUECTWILQAJQEY-UHFFFAOYSA-N	323.316	1.585	50	20	DDGD	
CC(C)N(C)CC(=O)NNC(=O)NCc1ccc(Cl)cc1	191605605	KISDWLVSBBRNME-UHFFFAOYSA-N	312.801	1.511	50	20	DDGD	
CNC(=O)NNS(=O)(=O)c1ccccc1-c1ccccc1	98092833	GLJCVDSUQDXKKN-UHFFFAOYSA-N	305.359	1.476	50	20	DDGD	
O=C(O)COc1ccccc1C=NNC(=O)c1ccccc1O	254824850	NDHGRNZUIWBLAW-UHFFFAOYSA-N	314.297	1.620	50	20	DDGD	
Cc1ncc(/C=C\C(=O)NNC(=O)Cc2ccncc2)s1	255418329	UABQIGAZBZZENW-IHWYPQMZSA-N	302.359	1.250	50	20	DDGD	
Cc1cccc(OCC(=O)NN=C2C(=O)N(C)c3ccccc32)c1	252452467	KJBUGFSVVHAORQ-UHFFFAOYSA-N	323.352	1.871	50	20	DDGD	
CSCCNC(=S)NNC(=O)/C=C\c1ccccc1C#N	254981258	RISXXFXDORWICY-SREVYHEPSA-N	320.443	1.430	50	20	DDGD	
COc1cc(OC)c(OC)cc1/C=C(/C#N)C(N)=C(C#N)C#N	255583319	LJICBBGEWYWLJQ-WCIBSUBMSA-N	310.313	1.879	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNC(=O)C(C1CC1)C1CC1	269833823	BKMKCBKOTSMXLZ-UHFFFAOYSA-N	321.402	1.062	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1nn(-c2ccccc2)c2c1CCC2	264792436	SCIROUXUZSNJJB-UHFFFAOYSA-N	324.384	1.922	50	20	DDGD	
COc1ccc(OC)c(CC(=O)NNC(=O)CC(C)(C)C)c1	264077600	YSBDEJMXLFEQID-UHFFFAOYSA-N	308.378	1.830	50	20	DDGD	
CO[C@@H](C)CCNC(=O)NNC(=O)COc1cc(C)cc(C)c1	263696269	CUQYTYVHIQPDMU-ZDUSSCGKSA-N	323.393	1.438	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cccc(C(=O)O)c1C	268664900	YAUPVPQOCGPCFW-MRVPVSSYSA-N	314.363	1.049	50	20	DDGD	
O=C(NC[C@H]1CCCCO1)NNc1ncnc2ccsc12	268872400	KUNNGRUTQCEYQQ-SECBINFHSA-N	307.379	1.887	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCOCC(F)F)c1	276520182	UYENWHWPCAPBFH-UHFFFAOYSA-N	317.292	1.381	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCc3cn[nH]c3C2)c1	272778816	FJPKFCKWDWVWPK-JTQLQIEISA-N	314.345	1.445	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C(C)(C)COC)nc1C	272132812	BXCWDFFGIPXCRX-UHFFFAOYSA-N	310.354	1.077	50	20	DDGD	
CN(NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(N)=O	272245927	YGLUPORYSKQNQF-UHFFFAOYSA-N	316.701	1.059	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@]1(C)CCCOC1	272614886	AJUHFQVAMXDZLI-INIZCTEOSA-N	322.361	1.038	50	20	DDGD	
COc1cc(C#N)ccc1OCC(=O)NNC(=O)OC(C)(C)C	273786255	UKCRIFLZEDJYKG-UHFFFAOYSA-N	321.333	1.502	50	20	DDGD	
C=CCNC(=O)c1ccc(NC(=O)NN(C)C(=O)NCC)cc1	274379138	FUXUYAHAQSQEGV-UHFFFAOYSA-N	319.365	1.300	50	20	DDGD	
O=C(NNc1cccnn1)[C@@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2	370568493	LVWLFMGQVYWEPB-GTDKDYCYSA-N	302.256	1.276	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H](C(=O)NNc2c(F)cccc2F)O1	289833405	AFEOLHIQCOEQND-VHSXEESVSA-N	300.261	1.129	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCN2C(=O)NC[C@@H]2C1	373300896	JJYILPJTOIUQKB-BDAKNGLRSA-N	318.215	1.032	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H](C)CN2CCCCC2)n1	280222660	JTYHBOYSULHQLQ-ZDUSSCGKSA-N	319.409	1.208	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1ccccc1F)C(F)(F)F	288626457	NGHHYCGDGFVVLL-ZETCQYMHSA-N	307.247	1.649	50	20	DDGD	
C[C@@H](NC(=O)C1CCCC1)C(=O)NNC(=O)Nc1ccccc1	283802414	VYVUGDKZXZCYKF-LLVKDONJSA-N	318.377	1.534	50	20	DDGD	
CNC(=O)CCCC(=O)NNC(=O)Nc1cccc(Cl)c1	283802271	VXVFXIOXGXPICO-UHFFFAOYSA-N	312.757	1.409	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@H](O)C(C)C)c1	285299569	XZTZARXDHXACKP-MRXNPFEDSA-N	322.405	1.662	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)Nc2ccccc2C)n(C)n1	284128679	HRTXDNYXQQQJGF-UHFFFAOYSA-N	316.365	1.573	50	20	DDGD	
Cc1ccc2c(c1)CC[C@H](C(=O)NNC(=O)c1cccn1C)O2	280084331	AGIDAGRKNCIGMP-OAHLLOKOSA-N	313.357	1.488	50	20	DDGD	
O=C(NC[C@H]1CCN(C2CC2)C1)NNc1cccc(Cl)n1	293122357	UYTPYPWXBOIDMZ-SNVBAGLBSA-N	309.801	1.845	50	20	DDGD	
O=C(NCC1CC1)NNS(=O)(=O)c1ccc(C(F)F)cc1	808081811	SYDZREDLWQIBBQ-UHFFFAOYSA-N	319.333	1.527	50	20	DDGD	
O=C(Cc1cccc(Cl)c1F)NNC(=O)[C@H]1CCCCO1	295330190	HDYPBKIBKVINDG-LLVKDONJSA-N	314.744	1.738	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C(C)c2cn(C)c(C)n2)c1	800807646	ZRQCMKSPMFMPSD-UHFFFAOYSA-N	316.361	1.900	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1ccc(OC)c([N+](=O)[O-])c1	298833578	YVWLYSLCOAGRBI-PKNBQFBNSA-N	305.290	1.664	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCCC(F)(F)C1	807368404	CYJHXKVJLWUSEI-JTQLQIEISA-N	322.352	1.749	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2cnns2)c(Cl)c1	802051121	NZQBMXNGEIYERW-UHFFFAOYSA-N	311.754	1.966	50	20	DDGD	
Cc1ccc2c(c1C)OC[C@H]2NC(=O)NNC(=O)[C@@H]1CCCO1	291867379	NJANBOPUULJIDZ-OLZOCXBDSA-N	319.361	1.246	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)c2cc(OC)cc(OC)c2)C1	805153760	BRAAEOKOQOQRIA-UHFFFAOYSA-N	322.361	1.280	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1nc(-c2ccccc2)no1	298190031	WTDQFNMMEDFIOC-UHFFFAOYSA-N	303.322	1.935	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802107357	RGWZTOSDIBWGOG-AWEZNQCLSA-N	309.322	1.119	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)CSc2ccccc2O)C1	807176713	UMUXIIUBIZVWJK-UHFFFAOYSA-N	324.402	1.447	50	20	DDGD	
O=C(CN1CCC(CF)CC1)NNC(=O)c1ccc(F)cc1	295136253	LQJGUIFSBYEDAV-UHFFFAOYSA-N	311.332	1.268	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@]1(O)CCc2ccccc2C1	803153028	QOCHIUYMGLHLQZ-HNNXBMFYSA-N	318.764	1.493	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)[C@@H](F)C(F)(F)F	290275548	PXZHBJVIQSDFHP-SNVBAGLBSA-N	308.231	1.373	50	20	DDGD	
Cc1cc(C)cc(CCC(=O)NNC(=O)[C@H]2CCCCO2)c1	295679208	XWASRZOAZBXOCM-OAHLLOKOSA-N	304.390	1.953	50	20	DDGD	
CC[S@@](=O)CC(=O)NNc1ccc(OC(F)(F)F)cc1	295098021	YNVJDEVWLVEXAP-HXUWFJFHSA-N	310.297	1.797	50	20	DDGD	
CCc1nnc(CNC(=O)NNc2cccc(OC)n2)s1	290885839	GLSFKAGFBMGMMU-UHFFFAOYSA-N	308.367	1.330	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)c1	803427869	ITQKFCMRFOFZDX-UHFFFAOYSA-N	322.324	1.384	50	20	DDGD	
C[C@H]1Oc2ccccc2[C@@H]1NC(=O)NNC(=O)[C@@H]1CCCO1	292010073	MNVJOFBUJUHRID-JIMOISOXSA-N	305.334	1.018	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CC[C@@H]2CCOC2)cc1	802056422	NOLVGOIIWYNXJG-LLVKDONJSA-N	307.350	1.665	50	20	DDGD	
O=C(CCn1cnccc1=O)NNc1cccc2c1CCCC2	293392633	NTYLBNXSZUJMEV-UHFFFAOYSA-N	312.373	1.656	50	20	DDGD	
CC[C@@H](C)Oc1cc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)ccn1	294036684	XWZKEXGYUOYSCA-MDZLAQPJSA-N	321.377	1.587	50	20	DDGD	
C[C@@H]1CCC[C@H]1CNC(=O)NNc1ccc(-n2ccnc2)nn1	805441044	NZJNPSFJVTYDAJ-NEPJUHHUSA-N	315.381	1.725	50	20	DDGD	
O=C(COCc1cccnc1)NN=c1cc[nH]c2ccccc12	806811918	XWWCXYVFPSDMCL-UHFFFAOYSA-N	308.341	1.712	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1ccc(Cl)c(N)c1	814913558	QBVWDAWYWDDQRF-UHFFFAOYSA-N	309.801	1.603	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1cnc(S)n1-c1ccccc1	816632084	SILXQDCNSUOBFX-UHFFFAOYSA-N	301.335	1.036	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	812454512	MXLNFTJULVWJLQ-GHMZBOCLSA-N	322.361	1.137	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C[C@@H](C)n2cccn2)c1	819005239	ZDFQHRLJTUBMDH-CYBMUJFWSA-N	316.361	1.369	50	20	DDGD	
COc1ccc(C)cc1NC(=O)C(=O)NNc1ncncc1F	815763976	LEVJFMLHPYVPFI-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
O=Cc1c[nH]c(C(=O)NNC(=O)NCc2ccc(Cl)cc2)c1	816396993	ZENUUDLZHKTACR-UHFFFAOYSA-N	320.736	1.625	50	20	DDGD	
CC[C@@H](CS(=O)(=O)NNC(=O)c1cccc(Cl)c1)OC	817348565	NZPMVFSWLMFIHX-NSHDSACASA-N	320.798	1.329	50	20	DDGD	
CN(C)C(=O)c1cccc(C(=O)NNC(=O)CC(F)(F)F)c1	728601383	CQGDQAUQMBUZHE-UHFFFAOYSA-N	317.267	1.102	50	20	DDGD	
C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)NN(C)[C@H](C)CO	823959815	QAJHKQMJGVOBSN-NXEZZACHSA-N	320.311	1.817	50	20	DDGD	
CCN1CCN(c2cccc(NC(=O)NN(C)C3CC3)c2)CC1	824288513	DSAZYUWRBDLGQS-UHFFFAOYSA-N	317.437	1.959	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)c2c[nH]c3ccccc23)CO1	827606232	KYBBGVYQVPVYMK-VHSXEESVSA-N	302.334	1.289	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(S(=O)(=O)C2CC2)cc1	822537649	NAJSROMYOJMEGR-UHFFFAOYSA-N	324.402	1.430	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cccc(CN2CCCCC2)c1	823918656	ZLZHPTFXQVTLPF-AWEZNQCLSA-N	305.422	1.630	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCCc2ncc[nH]2)cc(C#N)n1C	490724772	BIVQMRADZYODRB-QPEQYQDCSA-N	308.345	1.194	50	20	DDGD	
Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)CN(C)C	727649933	RDDJLQWTNDOUHU-UHFFFAOYSA-N	319.796	1.846	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)CNc2ccc(C)cc2)nc1	728962393	SCTBLWGZOCDUMW-UHFFFAOYSA-N	308.341	1.244	50	20	DDGD	
CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)NNc1ncccn1	729518421	MDCCIXOJCFKTDW-JTQLQIEISA-N	308.386	1.042	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(C2CC2)nc(SC)c1C#N	495693600	QHNCYAIKBXJKGT-UHFFFAOYSA-N	320.374	1.896	50	20	DDGD	
C=CCOc1ccc(/C=C\C(=O)NN(C)[C@H](C)CO)cc1OC	823988428	SCDHWTGIBIGBQY-FNOHHLHBSA-N	320.389	1.617	50	20	DDGD	
CC[C@H](CCO)NC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	490782924	MKXGXTVPVJDHDN-SVSAJMPUSA-N	300.362	1.389	50	20	DDGD	
COC(OC)C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	822760572	OIHXNKSFBHTLGM-UHFFFAOYSA-N	319.264	1.060	50	20	DDGD	
CC(C)COc1ccc(NC(=O)NNC(=O)c2cc[nH]n2)cn1	821122457	NAODDNDHHQBZLS-UHFFFAOYSA-N	318.337	1.306	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCc3cc(F)c(F)c(F)c32)o1	585044858	WICRDJAXEJGLJU-SNVBAGLBSA-N	311.068	1.154	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C[C@@H]1CCC(=O)N1C)c1ccccc1	827185462	TXYXCHSZDNARDJ-KBPBESRZSA-N	317.389	1.339	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1CC12CCOCC2	826448559	ZXUODZWLFOPZQA-LBPRGKRZSA-N	314.349	1.127	50	20	DDGD	
CO[C@H](c1ccc(F)cc1)[C@@H](C)NCc1ccc(B(O)O)cc1	585035815	YJXSEQDJDXPABF-PXAZEXFGSA-N	317.169	1.371	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cnc(NC3CC3)s2)n1	900076590	OWNJLSJCYQYEJP-UHFFFAOYSA-N	304.379	1.881	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCCCC[C@H]1c1ccncc1	584928529	CXRHCNOSXJMMBH-KRWDZBQOSA-N	324.189	1.519	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)/C=C/c2ccc[nH]2)cc1C	491951261	DYDFXNBYQWUFBF-SOFGYWHQSA-N	313.357	1.871	50	20	DDGD	
O=C(NCB(O)O)c1cc(F)c(OCc2ccccc2)c(F)c1	585062777	NDLURLWSILDNNR-UHFFFAOYSA-N	321.088	1.286	50	20	DDGD	
CCOCCOC1CN(C(=O)[C@@]2(C)C[C@@H]2Br)C1	907235478	HESNOKYXCSJKFK-JQWIXIFHSA-N	306.200	1.424	50	20	DDGD	
CC[C@H](NC(=O)c1cccc(B(O)O)c1)c1nc(C)cs1	584942365	TYZVFTCZZOCZGW-LBPRGKRZSA-N	304.180	1.012	50	20	DDGD	
CCSc1ccccc1CC(=O)NNC(=O)c1c[nH]nc1C	906611048	WRSYJYZAKBEMMR-UHFFFAOYSA-N	318.402	1.834	50	20	DDGD	
CCOCc1cccc(NCc2ccc(B(O)O)cc2F)c1	585012642	BEPKYLWRBFMNQJ-UHFFFAOYSA-N	303.142	1.654	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCCN2CCCCC2=O)n1	730129517	SMTNCPZTAPPATM-UHFFFAOYSA-N	320.397	1.122	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1ccc(N(C)CCC#N)cc1	735412048	ITDHCCGEBMTKAM-UHFFFAOYSA-N	310.361	1.832	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H]2CCN(C3CC3)C2)cc1	838479330	YNSFHHQCVUZLHA-ZDUSSCGKSA-N	304.394	1.948	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)[C@@H]1CN2CCCN1CC2	836933672	MRPBACZEHPCJSV-ZDUSSCGKSA-N	308.813	1.481	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@@H]1CCCc2nn[nH]c21	830762665	UPBAGTJMYWLDMS-SNVBAGLBSA-N	302.294	1.276	50	20	DDGD	
CC[C@H](C)[C@@H](NNC(=O)COc1ccccc1OC)C(=O)OC	905748308	VRBKAJSGQVLONK-XHDPSFHLSA-N	324.377	1.283	50	20	DDGD	
C=C(C)CCNC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	838660862	PRXBXNNCGOWXEY-NSHDSACASA-N	309.341	1.890	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CC[C@@H]2CCOC2)c1F	837059973	CZQKXMFJXILJAX-SNVBAGLBSA-N	310.325	1.872	50	20	DDGD	
C#CCN(CC(=O)N1CC=C(C#N)CC1)C(=O)OC(C)(C)C	831488920	XJXGKADHXVXDQY-UHFFFAOYSA-N	303.362	1.539	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1F	837688587	GRLIDUWPAPABDQ-XWIASGKRSA-N	308.309	1.623	50	20	DDGD	
C[C@](O)(C(=O)NNc1cccc(Br)n1)C1CCC1	837213118	RYTXEUSJWIBLJQ-GFCCVEGCSA-N	314.183	1.838	50	20	DDGD	
CCC[C@H](O)CC(=O)NNc1cccc(Br)n1	837212724	UNHGRZIQQBKNPP-QMMMGPOBSA-N	302.172	1.838	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H](NC(=O)O)C(C)C)cc1	737257125	ZRPIISBADCBMGI-LBPRGKRZSA-N	307.350	1.302	50	20	DDGD	
OB(O)c1ccccc1CN[C@H]1CCc2sc(Cl)cc21	585042113	ZSOJMRATSBABQA-LBPRGKRZSA-N	307.611	1.858	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1ccnc(C2CC2)n1	732638218	HXSAUGSMVRXFRW-UHFFFAOYSA-N	310.357	1.748	50	20	DDGD	
C=CCC1(CNC(=O)c2ccc(B(O)O)c(F)c2)CCCC1	584996296	DNMOPHHENSOHEZ-UHFFFAOYSA-N	305.158	1.372	50	20	DDGD	
CCCN1C(=O)C(=NNC(=O)[C@H]2CCCCO2)c2ccccc21	834989712	KECJCBXDHKEKPW-CQSZACIVSA-N	315.373	1.833	50	20	DDGD	
O=C(NC1CC1)c1ccc(C=NNC(=O)[C@H]2CCCCO2)cc1	834989558	SZEGODJFQVLEBL-OAHLLOKOSA-N	315.373	1.598	50	20	DDGD	
C[C@]1(CNC(=O)c2ccc(B(O)O)cc2)CCCc2ccccc21	584969062	AMXULVVGYVTBRM-LJQANCHMSA-N	323.201	1.390	50	20	DDGD	
Cc1cc([C@@H]2CCCN2[C@@H](C)C(=O)NNC(=O)CC(C)C)no1	732196644	MFNCYORJBBRRDS-JSGCOSHPSA-N	322.409	1.702	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@]12CCCc1ccccc12)c1ncon1	832825883	KIJXXTHARSZQEF-LRDDRELGSA-N	312.329	1.125	50	20	DDGD	
Cc1noc(C)c1CCNC(=O)NNc1cccc(C(=O)O)c1	833757752	RTCKLZPUGQARJT-UHFFFAOYSA-N	318.333	1.858	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)/C(=C/c1ccccc1)C(F)(F)F	910150263	QWBQWMIODBLFTC-BKLZJWBFSA-N	302.296	1.976	50	20	DDGD	
C[C@H](CCc1ccco1)NC(=O)NNC(=O)CC(F)(F)F	918058812	NRACCRTXKXOQET-MRVPVSSYSA-N	307.272	1.884	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@H](CC(C)C)C(N)=O)c1ccccc1	839674514	DALZRGWNYKDNDI-ZIAGYGMSSA-N	319.405	1.475	50	20	DDGD	
CO[C@@H](C1CC1)[C@H](C)NC(=O)NNC(=O)c1ccccc1O	838701373	GSBZIGYPNCUAHH-TVQRCGJNSA-N	307.350	1.150	50	20	DDGD	
CC(C)N1C(=O)C(=NNC(=O)[C@@H]2CCCCO2)c2ccccc21	834988719	ABNRSPKVDYXKMO-AWEZNQCLSA-N	315.373	1.831	50	20	DDGD	
O=C(COc1ccc(F)cc1)NN[C@H](C(=O)O)c1ccccc1	833115610	WFHPGELFJIWRLJ-HNNXBMFYSA-N	318.304	1.651	50	20	DDGD	
CCOc1ccc([N+](=O)[O-])cc1C=NNC(=O)NCCCOC	748585966	MNKZLPFJJDIMBC-UHFFFAOYSA-N	324.337	1.663	50	20	DDGD	
COc1cc(F)c(S(=O)(=O)NCCCSC#N)cc1F	917006556	DWBDOWWIUBEIFF-UHFFFAOYSA-N	322.358	1.856	50	20	DDGD	
COCCn1cc(C=NNC(=O)c2cc(Cl)ccc2O)cn1	743432660	OWESPHYPXSBFSU-UHFFFAOYSA-N	322.752	1.652	50	20	DDGD	
O=C(CCOc1ccc(F)cc1)NNC(=O)CC(F)(F)F	918703687	FRDVGLYOZBZNDY-UHFFFAOYSA-N	308.231	1.694	50	20	DDGD	
O=C(NN=Cc1cc(Br)cs1)C(=O)NC1CC1	744823904	JFGALMIMSHMZBL-UHFFFAOYSA-N	316.180	1.239	50	20	DDGD	
CCCCCC(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1	744473830	LGAXRNXSCHGCCC-UHFFFAOYSA-N	317.345	1.443	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)CNC(=O)c2ccco2)C12CCC2	741163207	QIUJHOQZUTVGNE-CYBMUJFWSA-N	319.361	1.461	50	20	DDGD	
O=C(NCCOc1ccc2c(c1)OCO2)NNc1ccccn1	916647012	CKLZTZJRZYSVFY-UHFFFAOYSA-N	316.317	1.515	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNC(=O)c2ncccn2)cc1	841350092	DHKUGHLYSISVKR-UHFFFAOYSA-N	314.345	1.224	50	20	DDGD	
CCOc1ccc(C(=O)NN=Cc2cnn(CC)n2)cc1OC	841613192	WWUGAPOFKYMKAW-UHFFFAOYSA-N	317.349	1.469	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1C[C@H]2[C@H](C1)C2(F)F	846711339	LCJFBSMQPXHZHI-UWVGGRQHSA-N	311.288	1.247	50	20	DDGD	
CN(NC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)c1ccccc1	915061957	CIQUNLBAWSTVEZ-UHFFFAOYSA-N	322.390	1.046	50	20	DDGD	
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1cncc(F)c1	741771139	KYIKUDKMOGPEJZ-UHFFFAOYSA-N	318.264	1.989	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)[C@@H]2Cc3ccccc3O2)cc1	748149144	UHEIMDITSCWISN-HNNXBMFYSA-N	310.309	1.839	50	20	DDGD	
CC[C@H](CC1CCCC1)C(=O)NNC(=O)CN1CCCC1=O	913730724	GQCRBSRSKMYKTN-CYBMUJFWSA-N	309.410	1.363	50	20	DDGD	
NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ccc(Cl)cc1Cl	847600030	ZTTVHGPLOQBBLU-SFYZADRCSA-N	302.161	1.948	50	20	DDGD	
Cc1ccccc1C1CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)C1	743438601	PMEHNGDSPYTGKV-PXYINDEMSA-N	323.418	1.282	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCCC1=NNC(=O)CNc1ccccc1	741453484	QNIMDQXEUWGMOM-AWEZNQCLSA-N	323.418	1.558	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)Cc1cscc1Br	910144742	LWODBGLQDPGSEK-SSDOTTSWSA-N	307.213	1.397	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NC[C@@H]2CCC[C@H]2C2CC2)cn1	840395089	JFMSGDKVGXNSER-AAEUAGOBSA-N	305.382	1.190	50	20	DDGD	
COCCOC[C@@H](C)NC(=O)NNc1cccc([N+](=O)[O-])c1	745864625	UFGPFDOFGCWVFP-SNVBAGLBSA-N	312.326	1.272	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=Cc1ccc(O)cc1	916372214	PBXQHVGDYYSHSS-BFHYXJOUSA-N	319.405	1.588	50	20	DDGD	
CCCCOCC(=O)NNc1ncc(Br)cn1	848321183	KZNZAZJGHUVWDS-UHFFFAOYSA-N	303.160	1.499	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)c2csnn2)cc1OC	917925469	XIOHMCUNWCFGPO-UHFFFAOYSA-N	322.346	1.020	50	20	DDGD	
CC(=O)NCCCCCC(=O)NNC(=O)NC1CCCCC1	914748958	QDVXQZBUTUYQDF-UHFFFAOYSA-N	312.414	1.346	50	20	DDGD	
C=CCCn1cc(/C=C(/C#N)C(=O)NCCCOCC)nn1	849241624	JYGYCGFOVQDXNG-RAXLEYEMSA-N	303.366	1.304	50	20	DDGD	
CCC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)c1cnn(C)c1	741811747	BPKNENQNSKYKOZ-UHFFFAOYSA-N	316.321	1.455	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)c2ccc3c(c2)OCO3)o1	749331507	LVKCBCWIFDNHIK-UHFFFAOYSA-N	302.286	1.700	50	20	DDGD	
CC(C)n1ccc(CC(=O)NNC(=O)c2ccccc2O)n1	740749740	NAQVMKZSUIOQFC-UHFFFAOYSA-N	302.334	1.173	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)CCC(C)(C)O)c1	843869715	AGCKKRSHRGNJJI-UHFFFAOYSA-N	308.382	1.774	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)Cc1ccncc1)[C@H]1CC1(C)C	841594022	PLGYXEPFTGJJHL-CHWSQXEVSA-N	304.394	1.779	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(C#N)c(Cl)c1	843654398	FSZFTBITOBFDLX-LDYMZIIASA-N	307.737	1.398	50	20	DDGD	
CN(C)c1ncc(C(=O)NNC(=O)CC(C)(C)C)cc1Cl	848369991	KUNKWPUVQVKOAS-UHFFFAOYSA-N	312.801	1.998	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2	845222823	CXNXBPJCGFXFLC-YIYPIFLZSA-N	322.405	1.714	50	20	DDGD	
O=C(NCCC[C@@H]1CCCN1)NNc1ncnc2ccsc12	842007794	UGHJPGREPVPBKQ-JTQLQIEISA-N	320.422	1.850	50	20	DDGD	
Cc1cccc2c(CC(=O)NNC(=O)[C@@H]3CCO[C@H]3C)c[nH]c12	843654176	ZQUSHLIYEOOFSQ-WCQYABFASA-N	315.373	1.591	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cc(O)nc(C3CC3)n2)n1	848227683	JCFNNRQGGZRADR-UHFFFAOYSA-N	320.740	1.568	50	20	DDGD	
CO[C@H]1COCC[C@H]1CNC(=O)NNc1ccc(F)c(F)c1	922694876	BPISNUGOWJTGEU-ZANVPECISA-N	315.320	1.642	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cncn2-c2ccccc2)n1	740108160	TVQZEOIPSNHVRZ-UHFFFAOYSA-N	323.360	1.485	50	20	DDGD	
CC[C@H](C)n1nc(NC(=O)NNC(=O)c2cccn2C)cc1C	757911262	UESAUYAKAIGZDK-JTQLQIEISA-N	318.381	1.968	50	20	DDGD	
CC(C)N1CCN(C(=O)NC[C@]2(C)C[C@@H]2Br)CC1	856951117	POGXICDMDPTNLI-AAEUAGOBSA-N	318.259	1.896	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)CC(F)(F)F)C1	751063630	ORKNUQRZNIKHRQ-JGVFFNPUSA-N	310.272	1.066	50	20	DDGD	
CN1C[C@H](NC(=O)NNc2ccc(F)cc2Cl)CC1=O	921340652	HPQGCYLUPCNRJH-MRVPVSSYSA-N	300.721	1.336	50	20	DDGD	
CCNC(=O)c1cccc(NC(=O)NNC(=O)c2ccc[nH]2)c1	755515261	TZOIZCJHAXDLFZ-UHFFFAOYSA-N	315.333	1.231	50	20	DDGD	
CCC1(C(=O)OCC(=O)NNC(=O)c2ccccc2)CCC1	751750955	DQPOHZQQTZURJG-UHFFFAOYSA-N	304.346	1.571	50	20	DDGD	
COC(=O)N1CCC(C(=O)NNc2nccnc2Cl)CC1	857126581	FSBHHSHTXFOSKA-UHFFFAOYSA-N	313.745	1.052	50	20	DDGD	
Cc1[nH]c(C(=O)NNC(=O)NC2CCCCC2)c(C)c1C=O	858130542	PNUUZNLGAFBKBP-UHFFFAOYSA-N	306.366	1.721	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCN(C(C)(C)C)C2)cn1	855161733	CMGYOGSYOPPWHD-XKBFBRDOSA-N	315.421	1.564	50	20	DDGD	
CSSCCNc1nc2ccc(S(N)(=O)=O)cc2[nH]1	853583710	JEUIVQMBJDQYKE-UHFFFAOYSA-N	318.449	1.633	50	20	DDGD	
Nc1ncc([N+](=O)[O-])cc1C(=O)NNc1nc2ccccc2[nH]1	758426498	OXARDHIUNXIXMK-UHFFFAOYSA-N	313.277	1.205	50	20	DDGD	
C[C@H]1COC[C@@H]1NC(=O)NNC(=O)c1c[nH]c2ccccc12	925992488	RJBVVZKQEVQJAT-ZANVPECISA-N	302.334	1.147	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1c(F)ccc(F)c1Cl	857707768	AJBLFJXYBVPBNO-UHFFFAOYSA-N	319.695	1.305	50	20	DDGD	
CCC(=NNC(=O)C(=O)Nc1ccccn1)C1CCOCC1	758381836	TXOKKYDHJQKSPG-UHFFFAOYSA-N	304.350	1.329	50	20	DDGD	
CCc1nn(C)c(CC)c1C=NNC(=O)NCc1ccco1	755668827	RTPPXMOTEFFSSE-UHFFFAOYSA-N	303.366	1.971	50	20	DDGD	
Cc1nn(C)c(C)c1CC(=O)NNC(=O)c1cccc(Cl)n1	857322521	DCGVYCILTGLCRO-UHFFFAOYSA-N	321.768	1.089	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1cccc(C#N)c1C	757733392	UGMGYRPHSLOWEE-NSHDSACASA-N	320.349	1.071	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CCN(C3CC3)C2)c1	858282065	RITZFEJOKULDFM-SNVBAGLBSA-N	308.407	1.237	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccc(F)cc2)CC1)c1cc[nH]n1	855356790	RQACLZCDWLYMAL-UHFFFAOYSA-N	302.309	1.333	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccnn1C(F)F)C1CC1	855096331	XCNCGYHFVHQIBT-LURJTMIESA-N	303.338	1.186	50	20	DDGD	
C[C@@H](Oc1ccc(C=O)cc1)C(=O)NNC(=O)CC(F)(F)F	855000332	GSACZGUDEFVLIA-MRVPVSSYSA-N	318.251	1.366	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)C2CCSCC2)C[C@@H]1Br	857249094	ANDXVNKUPYQIER-CABZTGNLSA-N	320.252	1.988	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@]1(C)C[C@H]1Br	856861956	OPMBJSOXZIVHFB-KLBPJQLPSA-N	303.200	1.803	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@H](C)c1cccc(C)c1	854281845	KSOKIESANDYLMX-CYBMUJFWSA-N	323.462	1.973	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)cn1	855286189	MKZYDEMCIIIECY-WTWVRAIASA-N	301.394	1.316	50	20	DDGD	
COCCCNC(=O)NN=Cc1cc2c(cc1OC)OCO2	758874619	XOFXLIXDXRFEQP-UHFFFAOYSA-N	309.322	1.094	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccc(OC)c1OC(C)C	854186061	RDYVLBQECMSUQU-UHFFFAOYSA-N	323.418	1.777	50	20	DDGD	
CC[C@@H](NC(=O)NNc1nc(C)cc(OC)n1)[C@H]1CCCO1	756102960	DYYOVNYUAMUBOZ-GHMZBOCLSA-N	309.370	1.377	50	20	DDGD	
CS(=O)(=O)CCCC(=O)NNc1ccc([N+](=O)[O-])cc1F	855620798	FETUKEXDEIFWGX-UHFFFAOYSA-N	319.314	1.002	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2c(C)noc2C(F)(F)F)o1	752781218	KQWUBOJHLHXAAK-UHFFFAOYSA-N	317.223	1.978	50	20	DDGD	
CC[C@@H]1CC[C@@H](C)N(C(=O)NNC(=O)Cc2cccnc2)C1	852058437	GFBVXZZNPBPIAX-CHWSQXEVSA-N	304.394	1.875	50	20	DDGD	
CC(C)c1ccc(OCCC(=O)NNC(=O)c2cc[nH]n2)cc1	855359380	PHIGYIHKWWGNSV-UHFFFAOYSA-N	316.361	1.763	50	20	DDGD	
COCCCOCCC(=O)NC[C@]1(C)C[C@H]1Br	857389887	ULRKYXWCXNXKFL-PWSUYJOCSA-N	308.216	1.719	50	20	DDGD	
CCn1ccnc1C=NNC(=O)c1cc(Br)c[nH]1	755617513	LXVBDAQKIKZBJD-UHFFFAOYSA-N	310.155	1.758	50	20	DDGD	
CN(C)[C@H](C(=O)NNC(=S)NCC1CCC1)c1ccccc1	855090922	VGWYZKMWZZIEEC-AWEZNQCLSA-N	320.462	1.585	50	20	DDGD	
COC(=O)c1csc(NC(=O)NNC(=O)c2cc(C)[nH]n2)c1	757678970	FPCBBTVEOHAHLG-UHFFFAOYSA-N	323.334	1.033	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1COc2ccc(O)cc2O1)C(F)(F)F	869376802	KZMCVXOKBBGSER-WKEGUHRASA-N	306.240	1.104	50	20	DDGD	
CCC(=O)N[C@@H](CCSC)C(=O)NN[C@@H](C)C(F)(F)F	862310229	SBTJTELRVQKVRX-YUMQZZPRSA-N	315.361	1.206	50	20	DDGD	
Cc1conc1C(=O)NNC(=S)NCCc1cccs1	864662851	NBEOXPSCXPNBGF-UHFFFAOYSA-N	310.404	1.396	50	20	DDGD	
Cc1ccc(CN2CC[C@H](NS(=O)(=O)CCl)C2)cc1	867689605	PASRIKPUWXGTFO-ZDUSSCGKSA-N	302.827	1.685	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)N2CCOCC2)c(Cl)c1	762173781	QZMICTPABIZZSE-UHFFFAOYSA-N	311.769	1.264	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H]2CCCC23OCCO3)c1	862479264	JAVQUNFRLCLVRC-JTQLQIEISA-N	310.375	1.361	50	20	DDGD	
CCO[C@@H](CC(=O)NNC(=S)N[C@H](C)C1CC1)C(C)C	760880696	NHJUTWMIUKMYLV-PWSUYJOCSA-N	301.456	1.731	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)CCC2(O)CCC2)c1	867882995	OTFUMSMFAQYMCI-UHFFFAOYSA-N	320.393	1.918	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](C(=O)NNC(=O)NCc2ccco2)CCO1	930732279	FBXOVMVZEXFFFD-AAEUAGOBSA-N	309.366	1.561	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)n1	862523901	BPCFSSFFKDTCNJ-ZDUSSCGKSA-N	302.378	1.482	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H]2CCc3cc(F)ccc32)n[nH]1	869019814	XRWJEYYQZQVDOK-AWEZNQCLSA-N	316.336	1.277	50	20	DDGD	
C[C@H](NCC(=O)NNC(=O)c1cccs1)c1cccc(O)c1	769905225	UIDQHWBFRKTXDD-JTQLQIEISA-N	319.386	1.566	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccc(-n3cncn3)cc2)n1	863966505	CDYKBBTWZJFDSM-UHFFFAOYSA-N	323.360	1.231	50	20	DDGD	
CCSc1cccc(C=NNC(=O)CS(C)(=O)=O)c1	863187002	ULTJDSLRODAQDL-UHFFFAOYSA-N	300.405	1.293	50	20	DDGD	
CN(C)c1nccc(NNC(=O)CCC(=O)OC(C)(C)C)n1	765846441	HLMLLSXFGAQIKD-UHFFFAOYSA-N	309.370	1.108	50	20	DDGD	
CC(C)[C@H](NC=O)C(=O)NNc1cccc(C(F)(F)F)c1	860312382	PPJSXMYWHYXGDG-NSHDSACASA-N	303.284	1.919	50	20	DDGD	
O=C(CCC1(O)CCC1)NNC(=O)Cc1ccc(Cl)cc1	864516309	MKYVJAMACDZTNC-UHFFFAOYSA-N	310.781	1.725	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(C#N)c(Cl)c1)[C@H]1CCC(=O)N1	860778586	OTRDVYSNVRLOPQ-QPUJVOFHSA-N	306.753	1.569	50	20	DDGD	
CSc1ncc(Cl)c(C(=O)NNc2ncc(F)cn2)n1	760906070	GWILMFMOWPBSOQ-UHFFFAOYSA-N	314.733	1.538	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN[C@@H](c2ccc(O)cc2)C1	870085700	PSSWFDFASZSGOX-BMOGTNHUSA-N	301.346	1.309	50	20	DDGD	
N#CSCCCNC(=O)c1ccccc1SCC(N)=O	773570260	BSESZWOJHUSRIX-UHFFFAOYSA-N	309.416	1.598	50	20	DDGD	
COCC1(C)CCN(CC(=O)NNC(=O)c2ccccc2)CC1	773726878	JBCGQBNBNKMWPA-UHFFFAOYSA-N	319.405	1.196	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)C(=O)NNc1nncc(N)c1Cl	1116564093	BGJIZJYQBGJKPV-YFKPBYRVSA-N	309.761	1.299	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1cc(C2CC2)[nH]n1	773640883	IDNUTZPXSBRXNO-UHFFFAOYSA-N	318.308	1.970	50	20	DDGD	
COCc1nc(C(=O)NN=c2sc3ccccc3n2C)no1	775377011	JANTXGKTBSINTI-UHFFFAOYSA-N	319.346	1.015	50	20	DDGD	
CCCn1cc(C=NNC(=O)[C@@H](C)CN2CCCCC2)nn1	872336817	MRKFCGNNSUYUFF-ZDUSSCGKSA-N	306.414	1.260	50	20	DDGD	
COc1ccc(CCNS(=O)(=O)CCCCCl)cc1O	872583119	TTWOJBLICXKNEK-UHFFFAOYSA-N	321.826	1.882	50	20	DDGD	
CN1CCCC[C@H](C(=O)NNC(=O)c2cccc(Cl)c2)C1=O	873783708	MBZWSGDEHRDVGQ-GFCCVEGCSA-N	323.780	1.360	50	20	DDGD	
COC(=O)CNC(=O)NN=C1C[C@@H](C)c2c(F)ccc(O)c21	779821038	LGMGDKMWEDVUBQ-SSDOTTSWSA-N	309.297	1.215	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1cccc(Cl)c1O	776222652	PODXUECIBHHMMJ-UHFFFAOYSA-N	319.748	1.919	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)COc1ccccc1C#N	770592336	SNFBOKRXBHITFE-UHFFFAOYSA-N	311.345	1.383	50	20	DDGD	
Cc1occc1C(=O)NCC(=O)NNc1nccnc1C(C)C	772891343	QFBOZTXZUYDPLH-UHFFFAOYSA-N	317.349	1.375	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc(NC(=O)C(C)C)c1	878143987	GKWGIXGSTVOYNL-UHFFFAOYSA-N	308.382	1.896	50	20	DDGD	
C[C@@]1(C(=O)NCCCSC#N)Cc2ccccc2C(=O)O1	773586615	IMGALUVOPMIRRS-HNNXBMFYSA-N	304.371	1.879	50	20	DDGD	
O=C(Cn1nnc(-c2ccccc2)n1)NN=C1CC2(CCC2)C1	772832725	KDRPCPATUJYSLH-UHFFFAOYSA-N	310.361	1.776	50	20	DDGD	
CC(CCn1cccn1)=NNC(=O)[C@H]1COc2ccccc2O1	776758405	LJWHZHYEUSUOHH-OAHLLOKOSA-N	314.345	1.605	50	20	DDGD	
COc1ccnc(NNC(=O)C(=O)Nc2cccc(C)c2C)n1	773723894	GYHBIKOIKKDIBY-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
O=C(NCCC[C@@H]1CCCCO1)NNC(=O)C1CCOCC1	883570617	IWSNDHNVMDWCSW-ZDUSSCGKSA-N	313.398	1.093	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)C1CCOCC1)c1ccccc1	883066777	JKCVYCPDWCYZEE-LBPRGKRZSA-N	305.378	1.547	50	20	DDGD	
Cc1nnc2n1C[C@@H](C(=O)NNc1cc(F)ccc1F)CC2	885143094	SZSNQBZDWQYDGM-VIFPVBQESA-N	307.304	1.570	50	20	DDGD	
N[C@H](c1cn(/C(Cl)=C/CBr)nn1)[C@@H]1CCCO1	881311001	WCXNBWJJJGFFMK-QYWHHAKLSA-N	321.606	1.889	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccnn2CC(F)F)o1	789916319	ZBLSDZXEVVVHHE-UHFFFAOYSA-N	324.291	1.888	50	20	DDGD	
O=C(NNC(=O)[C@H](c1ccccc1)C1CC1)C1CCOCC1	883067233	ABIFTFBMNDEUFY-OAHLLOKOSA-N	302.374	1.754	50	20	DDGD	
CC[C@@]1(C(=O)NNc2c(F)cc(F)cc2F)CCNC1=O	885154662	BYLWCLYPKGATQJ-CYBMUJFWSA-N	301.268	1.463	50	20	DDGD	
Cn1ncc2cc(C(=O)NNc3ncncc3Cl)cnc21	781826051	SMPHJROOQCTPFV-UHFFFAOYSA-N	303.713	1.169	50	20	DDGD	
CCO[C@H]1CCN(C(=O)NNC(=O)CCOc2ccccc2)C1	1121858763	WLCLQOJBLALGBK-AWEZNQCLSA-N	321.377	1.307	50	20	DDGD	
O=C1CCCN1Cc1cn(/C(Cl)=C\CBr)nn1	881310223	FHHHRMCZUXLJDQ-OQFOIZHKSA-N	319.590	1.833	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(NCC2CC2)nc1	887148358	YPGGVINSFUGNGY-UHFFFAOYSA-N	300.362	1.468	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H]1C[C@@H]1c1cc(OC)ccc1OC	788088225	JFJMRQJYTFPHKP-PWSUYJOCSA-N	307.350	1.158	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)CCc2ccc(OC)cc2)no1	888401175	ZFFCCHNGTIHCGG-UHFFFAOYSA-N	317.345	1.639	50	20	DDGD	
O=C(NNC(=O)c1c[nH]nc1C1CC1)c1ccc(Cl)cc1O	789901592	PQTYCZOGWVXNNY-UHFFFAOYSA-N	320.736	1.721	50	20	DDGD	
C=CCCOCC(=O)NNc1nnc(-c2ccccn2)s1	788562395	FVGMZIMKPVUWCN-UHFFFAOYSA-N	305.363	1.636	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NN=c2cc[nH]cc2)no1	780756706	AYYGHXDCVZJEOD-UHFFFAOYSA-N	310.313	1.924	50	20	DDGD	
Cc1nn(C)c(C)c1[C@H](C)C(=O)NNC(=S)NC(C)(C)C	899995636	YKQRJRTVVDZAKG-QMMMGPOBSA-N	311.455	1.434	50	20	DDGD	
C[C@H]1COCCC1=NNC(=O)C1CCN(c2ncccn2)CC1	794507472	CWHQNALWKQCRJI-LBPRGKRZSA-N	317.393	1.222	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)COc1cc(C)cc(C)c1	792796681	IESSLLQCUSVRGD-BBRMVZONSA-N	322.405	1.891	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cn3c(n2)CCCC3)n1	799653474	BZYAWLYGJYZGPD-UHFFFAOYSA-N	302.338	1.083	50	20	DDGD	
O=C(Cc1ccc2c(c1)COC2)NNc1nc2ccccn2n1	791262531	XFPLBGHNCYSXDY-UHFFFAOYSA-N	309.329	1.445	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C)cc1)c1ccc(O)nn1	790145431	AGPXXOOGMJBBQK-UHFFFAOYSA-N	300.318	1.410	50	20	DDGD	
CSSCCNS(=O)(=O)c1ccc2c(c1)ncn2C	790348930	LODHWZHMCXFXOX-UHFFFAOYSA-N	317.461	1.863	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)c2ccc3ccccc3c2)cnn1C	794237954	GDCPHCOIEZSICO-UHFFFAOYSA-N	322.368	1.885	50	20	DDGD	
COc1ccccc1-n1nccc1/C=C(/C#N)S(C)(=O)=O	797404618	HEIRJVVICKNKPS-XFXZXTDPSA-N	303.343	1.790	50	20	DDGD	
CC(C)CO[C@H](C)C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1318085227	OXURWOFGXHDYFE-SNVBAGLBSA-N	308.382	1.111	50	20	DDGD	
Nc1cnnc(NNC(=O)Cc2cccc([N+](=O)[O-])c2)c1Cl	1324009446	QVPSQYBLSARFLK-UHFFFAOYSA-N	322.712	1.306	50	20	DDGD	
CC(C)C[C@H](CN)NC(=O)NNC(=O)c1ccccc1Cl	1326134408	XUSUJCKTNHSCHO-SNVBAGLBSA-N	312.801	1.657	50	20	DDGD	
Cc1nc2ccc(S(=O)(=O)NNC(=O)C(C)(C)C)cc2o1	1320648929	ZXSSWDDNOCKIJA-UHFFFAOYSA-N	311.363	1.492	50	20	DDGD	
Nc1cnnc(NNC(=O)NCC[C@H]2CCCCO2)c1Cl	1320048676	YVBGTBFFDXSYES-MRVPVSSYSA-N	314.777	1.298	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)Nc2nocc2C)c1	1320430427	TXLIOQYRBXDFRD-UHFFFAOYSA-N	318.333	1.832	50	20	DDGD	
CC(C)c1cnc(NC(=O)C(=O)NNc2ncccn2)s1	1321102049	PKOLNZRBDHERRG-UHFFFAOYSA-N	306.351	1.138	50	20	DDGD	
C[C@@H](C(=O)NNc1ncnc2[nH]cnc12)c1ccc(F)c(F)c1	1252256838	UTAGTVVMDVOROH-SSDOTTSWSA-N	318.287	1.878	50	20	DDGD	
O=C(NN=Cc1occc1Br)C1CCOCC1	1330920419	XICJWTIYSFLLTC-UHFFFAOYSA-N	301.140	1.919	50	20	DDGD	
COC(=O)C1CCC(=NNC(=O)c2n[nH]c3c2CCCC3)CC1	1339007480	QSENFGWCWVWHNZ-UHFFFAOYSA-N	318.377	1.738	50	20	DDGD	
C[C@H](Cc1ccccc1F)NC(=O)NNC(=O)C1CCNCC1	1261374920	YGHAMBYOVHWJOY-LLVKDONJSA-N	322.384	1.087	50	20	DDGD	
CC[C@H](CNC(=O)NNc1cc(F)c(F)cc1F)C(=O)O	1341451593	QIBOVDXUIDWEOQ-ZCFIWIBFSA-N	305.256	1.841	50	20	DDGD	
Cn1ccc(NNC(=O)CCCCOc2cccc(C#N)c2)n1	1344048470	KENAOTPPSRJETH-UHFFFAOYSA-N	313.361	1.984	50	20	DDGD	
C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)NNc3cccnn3)c2N1	1519871760	FOPHCAHVXWUGMU-VXNVDRBHSA-N	323.307	1.440	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)c2cccc(-c3nn[nH]n3)n2)c1	1605647359	RDXGZHMVQYSJRC-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1ccsc1C(=O)O	1605632347	GFLBIHPOCXTXPT-FLIBITNWSA-N	308.359	1.896	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)O)CCC1)c1c[nH]c2ccccc12	1605814805	ULICLWUIKYAUAX-UHFFFAOYSA-N	301.302	1.184	50	20	DDGD	
Cn1ncc(C(=O)NNc2cccc(C(=O)O)c2F)c1C1CC1	1608155524	LDJRVAJAHNLDMA-UHFFFAOYSA-N	318.308	1.892	50	20	DDGD	
Cc1cc(CNC(=O)NNc2ccc(C(=O)O)c(F)c2)n[nH]1	1600199933	BFQUKCNNTRNAIP-UHFFFAOYSA-N	307.285	1.382	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccccc2)cc1C(=O)O	1607798188	DAFIABZNHPJWRI-UHFFFAOYSA-N	313.313	1.775	50	20	DDGD	
O=C(O)[C@H](O)C1CCN(C[C@@H](CBr)C2CC2)CC1	1608557386	KESKUCJFNUFVOI-VXGBXAGGSA-N	320.227	1.565	50	20	DDGD	
O=C(CCCn1cccn1)NNc1ccc(C(=O)O)cc1F	1610656183	OKZQDQIHHKTDCM-UHFFFAOYSA-N	306.297	1.644	50	20	DDGD	
O=C(NC[C@H]1CCCOC1)NNc1ccc(C(=O)O)cc1F	1610692228	VRXADRIEVYBNIX-SECBINFHSA-N	311.313	1.577	50	20	DDGD	
Cn1ccc(N2CC[C@@H](NC(=O)C3CCC(Cl)CC3)C2)n1	1548648594	BZAJCNLXMZWGDA-WXRRBKDZSA-N	310.829	1.913	50	20	DDGD	
CCCC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1cccnc1	1549322446	ZJRUFWLGYZASLY-GDBMZVCRSA-N	316.405	1.565	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1csc([C@@H](C)N)n1	1575871385	LHIXZRQKZKITMR-MRVPVSSYSA-N	306.395	1.833	50	20	DDGD	
CC[C@H](C)O[C@H]1CS(=O)(=O)C[C@@H]1I	158066855	XKOZNRFBXIIFCD-FXQIFTODSA-N	318.176	1.402	50	20	DDGD	
O=C(C#CC1CC1)N1CC[C@H]2[C@@H]1CCN2C(=O)C(Cl)Cl	1847746413	UVCQVMKHFFIXFS-QWRGUYRKSA-N	315.200	1.405	50	20	DDGD	
CC(=NNC(=O)C(=O)O)c1cc(C)c(Br)s1	1589010734	GBRFZNVIZWFLNY-UHFFFAOYSA-N	305.153	1.744	50	20	DDGD	
C#CCCC(=O)N1CC2(CCCN2C(=O)CO[Si](C)(C)C)C1	1844379886	WPRGGBLZNWAEHE-UHFFFAOYSA-N	322.481	1.455	50	20	DDGD	
CCC(=O)N1CCCC12CN(C(=O)[C@H](F)Br)C2	1842635715	JNGOHJKOAWYUQL-VIFPVBQESA-N	307.163	1.290	50	20	DDGD	
CCc1csc(CC(=O)NNc2ncccc2C(=O)O)n1	1593647320	YWPVJQQRWOBSBG-UHFFFAOYSA-N	306.347	1.485	50	20	DDGD	
CCc1nccn1[C@H](C)CC(=O)NNc1ccc(C(=O)O)cn1	1597705812	IACLWKYJNXWFHA-SNVBAGLBSA-N	317.349	1.633	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)C(=O)NNc1ccccc1C(=O)O	1592909051	OBCZFOKKLPOUJB-SNVBAGLBSA-N	302.334	1.440	50	20	DDGD	
CN(NC(=O)Nc1nc2c(s1)CC[C@H](C(=O)O)C2)C1CC1	1598541978	UQGVGGRTGSPXGB-ZETCQYMHSA-N	310.379	1.463	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2ccoc2)ccc1C(=O)O	1599440118	OTXSPCQBCOANSA-UHFFFAOYSA-N	319.273	1.453	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)Nc1cccnc1C(=O)O	1594474772	LDVXIDQUDHAVSD-UHFFFAOYSA-N	321.318	1.011	50	20	DDGD	
CO[C@H]1C[C@H](c2ccccc2)CCC1=NNC(=O)NCC(=O)O	1599100703	RCZSGUFDPXFICT-OCCSQVGLSA-N	319.361	1.709	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2C[C@@H](C(=O)O)C2)c1C	1593897423	NVRJFCRSOVTESQ-AOOOYVTPSA-N	321.333	1.271	50	20	DDGD	
CC(=NNC(=O)c1cccc(C(=O)O)c1)c1cc(C)nn1C	1776095874	ZZQJPXSFONDPAT-UHFFFAOYSA-N	300.318	1.581	50	20	DDGD	
O=C(O)c1cc(Cl)sc1C=NNC(=O)C1CCOCC1	1776102918	DXARBJSPUWGXBJ-UHFFFAOYSA-N	316.766	1.976	50	20	DDGD	
O=Cc1ccc(OCC(=O)NNc2ccccc2)c([N+](=O)[O-])c1	151227361	ZICVBKMYHMLMMK-UHFFFAOYSA-N	315.285	1.929	50	20	DDGD	
CC(C)C[C@@H](C)NC(=O)NNC(=O)COCc1ccccc1	157581908	VIVDQOKNGGFRDG-CYBMUJFWSA-N	307.394	1.968	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)CC1CCSCC1	156382200	ZZCXPAIMVSKJDU-UHFFFAOYSA-N	307.419	1.779	50	20	DDGD	
C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)NNc1ncc(F)cn1	157440795	CYXBAPJTCULUQA-ZUZCIYMTSA-N	304.325	1.614	50	20	DDGD	
COc1ccc(NNC(=O)c2cnn(-c3ccccn3)c2C)nc1	159143461	GCEXSPMIASSFBI-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
Cn1nc(Br)cc1C(=O)NNC(=O)OC(C)(C)C	191854981	HLQZVZUKMISLEW-UHFFFAOYSA-N	319.159	1.352	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCC[C@H]1C(=O)O)c1ccccc1Cl	3960134	ZLXUMJPAXNPKHC-VHSXEESVSA-N	324.764	1.992	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)COc1ccc(C#N)cc1	7538463	UOPSNQPBXLDPNF-UHFFFAOYSA-N	323.352	1.636	50	20	DDGD	
O=C(NNC(=O)c1cccnc1Cl)c1ccc(Cl)nc1	58381670	FGJPCXKFTUQHIK-UHFFFAOYSA-N	311.128	1.858	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNc1cccc([N+](=O)[O-])c1	178862672	GXORFIXKQGZFOM-CYBMUJFWSA-N	320.349	1.829	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2noc3c2CCCC3)c(O)c1	57177373	HPJAOGAUKRZFMQ-UHFFFAOYSA-N	315.329	1.642	50	20	DDGD	
CN(CCCNC(=O)NNc1cccnn1)Cc1ccccc1	172485541	AREXYQOQKFITNX-UHFFFAOYSA-N	314.393	1.625	50	20	DDGD	
Cc1cnn(CCC(=O)NNC(=O)CCc2ccccc2O)c1	106286259	LBGGDBJXUCWQQV-UHFFFAOYSA-N	316.361	1.067	50	20	DDGD	
Cc1cc(N(C)C)ccc1CNC(=O)NNC(=O)c1ccc[nH]1	115853909	WXVUMMRBFIHTDJ-UHFFFAOYSA-N	315.377	1.533	50	20	DDGD	
O=C(CCc1ccoc1)NNC(=O)[C@@H]1COc2ccccc2O1	177048819	HYKFTMGDLBUCAT-AWEZNQCLSA-N	316.313	1.200	50	20	DDGD	
O=C(NNC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1ccccc1F	27601379	IHEYLGFULKBDPV-FOSCPWQOSA-N	318.348	1.982	50	20	DDGD	
COCc1cccc(NC(=O)C(=O)NNc2cccc(C#N)c2)c1	119493962	PILZCMMAWUBSHK-UHFFFAOYSA-N	324.340	1.786	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C[C@H]2CCCO2)c(C)c1	170850977	IYTBGASMSZCMDS-CYBMUJFWSA-N	305.378	1.432	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)ncn1	172279871	MERVEBRLTZODJQ-IINYFYTJSA-N	300.318	1.457	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C1CCOCC1	69753359	RYOGHZZETZAFPN-UHFFFAOYSA-N	306.362	1.202	50	20	DDGD	
CC1(C)[C@H]2CN(CC(=O)NNC(=O)c3ccccc3Cl)C[C@@H]21	172949961	CITVXFSCHKRUAP-RYUDHWBXSA-N	321.808	1.689	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@H](CCO)CC(C)C)n1	120857468	WEIBMWALVWCGRM-CYBMUJFWSA-N	309.414	1.764	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2ccc3nccn3c2)c1	68509874	YVSUVAPHGBUGPO-UHFFFAOYSA-N	324.340	1.483	50	20	DDGD	
CCc1ccccc1S(=O)(=O)NNC(=O)c1ccccc1	187166552	WOVZAGZMNJQOHZ-UHFFFAOYSA-N	304.371	1.872	50	20	DDGD	
Cc1cccc(CSCC(=O)NNC(=O)Cc2cc[nH]n2)c1	186133274	LCCZVCPSAOFVNW-UHFFFAOYSA-N	318.402	1.341	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)c2cccc(C#N)c2)cc1	70696032	DUKTUBDZSODDOZ-UHFFFAOYSA-N	320.308	1.270	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cnn(CC3CC3)c2)cc1	188819461	OKRIGDZXHPVLPD-UHFFFAOYSA-N	313.361	1.683	50	20	DDGD	
CC[C@@H]1CCC[C@@H](NC(=O)NNC(=O)Cc2cccnc2)C1	77564054	CBZILIYUXLUWRP-TZMCWYRMSA-N	304.394	1.923	50	20	DDGD	
Cn1ccc2ccc(NC(=O)C(=O)NNc3ccccn3)cc21	181403968	BJEDJLGOTATMFY-UHFFFAOYSA-N	309.329	1.655	50	20	DDGD	
COc1cc(CNC(=O)NNc2ccc(Cl)nn2)ccn1	122420092	WCXHOXQMXVAGLR-UHFFFAOYSA-N	308.729	1.360	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)N[C@@H]1CCC[C@@H]1CCO	188532052	PCEKWSYJBMJLAH-HUUCEWRRSA-N	319.405	1.501	50	20	DDGD	
CCSCC[C@H](C)N(C)CC(=O)NNC(=O)c1ccccc1	182682649	KMPLPLQTKOJCMS-ZDUSSCGKSA-N	323.462	1.911	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)Cc2cncs2)c1	187846342	USGQCDLPFXBBKV-UHFFFAOYSA-N	304.375	1.213	50	20	DDGD	
CS[C@H](C)C(=O)NNC(=O)Cc1nc2ccccc2n1C	43006260	RMZQSQRYLMWCNZ-SECBINFHSA-N	306.391	1.015	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NC[C@@H]2CCCCO2)c1	139748794	UGONWHPYSATFNU-AWEZNQCLSA-N	321.377	1.273	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cccc3ccn(C)c23)[nH]n1	190072253	XDJHQMROOLSPHT-UHFFFAOYSA-N	312.333	1.676	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccnc(F)c1F	193551025	QFZJOOMKWYDMJB-UHFFFAOYSA-N	307.256	1.443	50	20	DDGD	
C[C@@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)CCl)C1	323357289	VTFWLWLGAZYWFH-CYBMUJFWSA-N	316.854	1.966	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NC1CCN(C)CC1	43180208	JSZFWXBKCVITGA-UHFFFAOYSA-N	305.382	1.425	50	20	DDGD	
O=C(C[C@H]1CCCOC1)NNC(=O)c1c[nH]c2ccccc12	195043458	ZZVWXOARMVBFGT-LLVKDONJSA-N	301.346	1.746	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN[C@@H]2CCCC2(C)C)n1	191847369	PQKLKIKRYOCCMF-LLVKDONJSA-N	324.450	1.310	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)Cc1ccccc1	192862494	WACGLVXRBUXIDH-UHFFFAOYSA-N	313.357	1.497	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)COc2cccc(C#N)c2)cc1	142381676	PDDWIESILVXEJB-UHFFFAOYSA-N	320.308	1.270	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccnc2ccccc12	94121353	YRNMEAIQNNJBLE-UHFFFAOYSA-N	320.443	1.707	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)[C@@H]1C[C@H]2CC[C@H]1C2	246626413	CKEHSRILBILUEN-BLFANLJRSA-N	305.382	1.189	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)n1	268483181	PIBCDPMGMPNKBY-IJLUTSLNSA-N	321.381	1.377	50	20	DDGD	
CN1CCC([C@H]2CCN(S(=O)(=O)CCCCCl)C2)CC1	364596798	ZUZCYUDJTUCEDZ-AWEZNQCLSA-N	322.902	1.999	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CCC2CC2)cc(OC)c1OC	265121407	GNISCGGWHJEMOW-UHFFFAOYSA-N	322.361	1.664	50	20	DDGD	
C#Cc1cccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)c1	274246171	SULQFBLENVYYPG-UHFFFAOYSA-N	303.318	1.162	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1cc(C(C)C)on1	273500840	QAAQMPGURVKCPK-VIFPVBQESA-N	314.342	1.002	50	20	DDGD	
COc1cccc(NNC(=O)CN(C)C(=O)OC(C)(C)C)n1	272478766	BTXPEGBAQBMVEK-UHFFFAOYSA-N	310.354	1.400	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(C(=O)N(C)OC)cc1	273589350	OUAWKMDHFWORQQ-JTQLQIEISA-N	322.365	1.519	50	20	DDGD	
O=C1CCC[C@@H](C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])N1	270255118	NYRDHFVQOWYVIP-VIFPVBQESA-N	312.713	1.360	50	20	DDGD	
COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NNC(=O)NC2CC2)c1	276281251	PKQHNINNYPXIKJ-WCQYABFASA-N	319.361	1.300	50	20	DDGD	
CC(=O)NNC(=O)N[C@@H](CCc1ccccc1)C(F)(F)F	274196769	PPRGPIAPNUXQLZ-NSHDSACASA-N	303.284	1.900	50	20	DDGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1C[C@H]1[N+](=O)[O-]	360732109	HCIUVYVSHPGGHM-RKDXNWHRSA-N	323.696	1.498	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1ccc(CN2CCCC2)cc1	279286001	OVZPRSZAYHXZLP-UHFFFAOYSA-N	312.373	1.685	50	20	DDGD	
COc1ccc(CNS(=O)(=O)CCCCCl)c(OC)n1	289517624	MDQKDAFWSXQFMC-UHFFFAOYSA-N	322.814	1.537	50	20	DDGD	
CCC[C@@](C)(CC)C(=O)NNc1nc(O)c2cnn(C)c2n1	280199729	QMYOJEAIYFVSDH-CQSZACIVSA-N	306.370	1.728	50	20	DDGD	
CO[C@H]1CCCC[C@H]1NC(=O)NNC(=O)c1cccc(C)n1	280832362	JUTSXWRZVVXKHM-YPMHNXCESA-N	306.366	1.292	50	20	DDGD	
CSSCCNC(=O)Nc1cccnc1-n1cncn1	284473369	BMNDBSSKXHOJCK-UHFFFAOYSA-N	310.408	1.795	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNC(=O)CNc1ccc(C)cc1C	287286806	YSGOHBOZAXRLIX-INIZCTEOSA-N	302.378	1.803	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)n1	378589964	PHWIVXHRRKZOJO-ZLKJLUDKSA-N	320.393	1.920	50	20	DDGD	
COC(C)(C)CC(=O)NNc1cccc(S(C)(=O)=O)c1	280236719	MJKQLQUNFSQGNA-UHFFFAOYSA-N	300.380	1.348	50	20	DDGD	
CCC[C@@H](CC)NC(=O)NNC(=O)COc1ccc(OC)cc1	299389746	TVTJCDIZKWZZIU-GFCCVEGCSA-N	323.393	1.983	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc3c(c2)N=S=N3)O1	293968299	RRBWHPDBKLDXHK-CPCISQLKSA-N	306.347	1.742	50	20	DDGD	
O=C(NNC(=O)c1cccc2nc(O)oc12)Nc1ccccc1	801985734	FYVAYFFZLQBVNM-UHFFFAOYSA-N	312.285	2.000	50	20	DDGD	
Cc1c(C(F)(F)F)nn(C)c1NC(=O)NNc1ccncn1	297254834	SGTHBWFDOVONMA-UHFFFAOYSA-N	315.259	1.686	50	20	DDGD	
O=C(NCCOC1CCC1)NNc1ccc2c(=O)[nH]ccc2c1	806879356	CFBRPCWIZNBVCY-UHFFFAOYSA-N	316.361	1.723	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)Cc2ccncc2)o1	293111652	CZRQPVARXRJKAZ-UHFFFAOYSA-N	302.334	1.334	50	20	DDGD	
C[C@@H](C(=O)NNc1nnc[nH]1)N(C(=O)OC(C)(C)C)C1CC1	298086953	ARIMYRGZWFBKTP-QMMMGPOBSA-N	310.358	1.036	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C(=O)N1CCc2cc(F)ccc21	802572178	VKGKLEPXUIAPSB-UHFFFAOYSA-N	318.283	1.392	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O	294210710	QBFMGBTXBMAFLV-CYBMUJFWSA-N	319.336	1.126	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCn3c(cnc3C)C2)o1	290389852	MHMALJDWPKMVDV-LLVKDONJSA-N	302.334	1.117	50	20	DDGD	
COc1ccc(C(=O)CCC(=O)NNC(=O)CC(C)C)cc1	299401946	GKFXQPUARQOIQO-UHFFFAOYSA-N	306.362	1.852	50	20	DDGD	
Cc1cccc(S(=O)(=O)NNC(=O)[C@@H]2CCCCO2)c1F	294949032	AOWSMSBDSKRQGA-JTQLQIEISA-N	316.354	1.013	50	20	DDGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cn(C)c(=O)n(C)c2=O)cc1C	809159884	YNPLZKYNTGIFPG-ZSOIEALJSA-N	323.352	1.491	50	20	DDGD	
CSc1ccc([C@H](C)NC(=O)NNC(=O)[C@@H]2CCCO2)cc1	292559836	IDBZOMLLUJCSPR-GWCFXTLKSA-N	323.418	1.979	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1CCC[C@H]1CCCF	800808904	UOYSTPQOTZDGDA-KBPBESRZSA-N	313.417	1.977	50	20	DDGD	
CC(=O)c1cc(NC(=O)C(=O)NNC(=O)CC(C)C)ccc1F	806975322	TZKCEJIOONQTBA-UHFFFAOYSA-N	323.324	1.160	50	20	DDGD	
COC(=O)Nc1cccc(NC(=O)NNC(=O)[C@@H]2CCCO2)c1	292642635	MXKFWJPPQZANCX-NSHDSACASA-N	322.321	1.197	50	20	DDGD	
CC(=O)NC1(C(=O)NNC(=O)Nc2ccccc2)CCCCC1	801987439	GXPBXOUAZMCRSX-UHFFFAOYSA-N	318.377	1.678	50	20	DDGD	
CCc1cc(C(=O)NNC(=S)NCCSC)ccc1O	291787765	YBQINFBAXRWITB-UHFFFAOYSA-N	313.448	1.427	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@H]1C[C@H]1c1ccc(F)cc1	299386532	PUTJVBXORAMTBN-STQMWFEESA-N	307.325	1.002	50	20	DDGD	
O=C(NNS(=O)(=O)c1cnc2ccccc2c1)c1ccc[nH]1	800831365	BYELNYVQIIRWDF-UHFFFAOYSA-N	316.342	1.186	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2cnn(C)n2)c1C	806375551	MCVQXZWEIVWCJV-UHFFFAOYSA-N	304.379	1.063	50	20	DDGD	
O=C(NCc1ccc2sccc2c1)NNC(=O)[C@@H]1CCCO1	292116109	WDHCGEPYYWTRHO-LBPRGKRZSA-N	319.386	1.911	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccc(Cl)cc1F)C1CCC1	291748829	DQHQMOQEOWXCBO-LLVKDONJSA-N	300.717	1.460	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)[C@@H]1OC[C@H]2COCC[C@H]21	290376299	QLFJHTIYRJUVJM-HUQFOHBGSA-N	316.279	1.599	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)CN(C)S(C)(=O)=O	812764832	JSIRLJKHCRNXKE-UHFFFAOYSA-N	313.423	1.453	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@@H](C)[C@H](CN)C1	818009604	WNEAOBGPHNZOGW-ZWNOBZJWSA-N	312.845	1.796	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1nc(-c2ccccc2)no1	815000687	OYWYWAINRIJQJX-UHFFFAOYSA-N	308.301	1.709	50	20	DDGD	
Cn1cc(C=NNC(=O)Cc2ccc3ccccc3c2)c(O)n1	814217975	JDTXXYZOBFWJDP-UHFFFAOYSA-N	308.341	1.972	50	20	DDGD	
O=C(NN=C[C@H]1CCCOC1)c1cc(Br)c[nH]1	814780215	JAIQOTUUBPLCDC-MRVPVSSYSA-N	300.156	1.919	50	20	DDGD	
CC(C)[C@H]1CC(=NNC(=O)CNC(=O)c2ccco2)CS1	814826747	GAMONPRGLPUYRV-GFCCVEGCSA-N	309.391	1.643	50	20	DDGD	
Cc1nn(C)c2cc(NC(=O)NNC(=O)c3ccc[nH]3)ccc12	812992307	ATIYRLSSWHPGGH-UHFFFAOYSA-N	312.333	1.676	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cc(N2CCOC2=O)ccc1F	819109537	HCQFADFYSBZUQP-UHFFFAOYSA-N	321.308	1.343	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)[nH]1	815850100	YHLRFIIRLGRENU-UHFFFAOYSA-N	304.262	1.466	50	20	DDGD	
O=C(NNc1ncncc1F)[C@@H]1C[C@@H](c2ccccc2)OC1=O	817071442	SWJUVSBOCIDKGK-JQWIXIFHSA-N	316.292	1.363	50	20	DDGD	
Cn1nncc1NNC(=O)C1(c2ccc(F)cc2F)CCC1	816769566	NWBZLKKEJFHUIO-UHFFFAOYSA-N	307.304	1.658	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)CNc1ccc(C)cc1	811630652	BDFTZDLKDQLSLF-CQSZACIVSA-N	302.378	1.568	50	20	DDGD	
CCN(CC)CCNC(=O)NNc1cccc([N+](=O)[O-])c1C	728126240	SIFJFXWYDWTMDW-UHFFFAOYSA-N	309.370	1.871	50	20	DDGD	
Cc1nc(NC(=O)NN(C)C2CC2)ccc1-c1cnn(C)c1	824358987	BFFFPIPRVNISSG-UHFFFAOYSA-N	300.366	1.921	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(Cc1ccccc1F)C(C)C	827530956	UYBFVRAZRLUYQQ-UHFFFAOYSA-N	309.385	1.840	50	20	DDGD	
CC(C)[C@@H]1C[C@H](C(=O)NNC(=O)OCC(F)(F)F)CCO1	825520394	YJZQFKAJVQEEOM-BDAKNGLRSA-N	312.288	1.757	50	20	DDGD	
CCN(CCO)NC(=O)c1c(F)ccc(Br)c1F	823879765	SPYYIBZJEJLVTN-UHFFFAOYSA-N	323.137	1.686	50	20	DDGD	
C=CCOCC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	729301154	BIVSXMJCECCZCI-JTQLQIEISA-N	308.403	1.837	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@@H](CO)Cc1ccncc1Cl	491157786	ALFYHTIZNMPJKT-KBICQTFXSA-N	323.780	1.446	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H](CC(C)C)NC(=O)O)c1	829142321	POYTXTVDTQRTKN-GFCCVEGCSA-N	313.329	1.960	50	20	DDGD	
O=C(NN=Cc1ccc(-c2nn[nH]n2)s1)c1ccccc1O	823273400	LYLHQFKQCPZMTO-UHFFFAOYSA-N	314.330	1.398	50	20	DDGD	
COC(=O)c1cc(NNC(=O)/C=C\[C@@H]2CCOC2)ccc1F	493483238	BFLSPXXPNWKFFN-XJIUSYNZSA-N	308.309	1.648	50	20	DDGD	
C=CCN(CC(=O)NNC(=O)C(C)C)Cc1cccc(C#N)c1	827515592	ALVBDIQBCMLJBG-UHFFFAOYSA-N	314.389	1.350	50	20	DDGD	
O=C(CS(=O)(=O)C1CC1)NNc1ccccc1C(F)(F)F	824509746	NNBIWCUGOMLWCK-UHFFFAOYSA-N	322.308	1.726	50	20	DDGD	
Cc1ncccc1C=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1	728779983	SDJYJMMJUXWWRR-MGPQQGTHSA-N	318.421	1.585	50	20	DDGD	
CNC(=O)/C(C#N)=C\c1cccc(I)c1	490943390	RMWSBWIMJIXCHE-UITAMQMPSA-N	312.110	1.944	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCSC[C@@H]2C2CC2)cn1	491006500	DLZVSAINPQFMMW-YGLIYXGISA-N	302.403	1.681	50	20	DDGD	
Cc1ccc(C)n1-c1nc(CC(=O)NN(C)[C@@H](C)CO)cs1	823971140	PKJZBTBXAGJBNX-LBPRGKRZSA-N	322.434	1.437	50	20	DDGD	
N#C/C(=C/c1cnn(-c2ccccc2)c1)S(=O)(=O)NC1CC1	588561574	LHBJUSNAQQAPOD-NVNXTCNLSA-N	314.370	1.819	50	20	DDGD	
O=C(/C=C\c1cccnc1)NNC(=O)COc1ccccc1O	491559971	CMQBGNWAVPTWCV-FPLPWBNLSA-N	313.313	1.027	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(Cl)ncc1Br	823923600	UAEPJCMUZBVICV-LURJTMIESA-N	322.590	1.455	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CC[C@@H]1CC1(Cl)Cl	826754472	MRIOYJKKZCNGEK-SSDOTTSWSA-N	305.165	1.453	50	20	DDGD	
CCOc1cccc2[nH]cc(CC(=O)NN(C)[C@@H](C)CO)c12	823934995	MECCAGFMFZVUAY-NSHDSACASA-N	305.378	1.453	50	20	DDGD	
O=C(CN1CCOC1=O)NNc1ccc(C(F)(F)F)cc1	821158079	GHPAFKHWAAALLE-UHFFFAOYSA-N	303.240	1.601	50	20	DDGD	
CC(C)[C@H]1C[C@@H](NC(=O)NNC(=O)OC(C)(C)C)CCO1	494484737	IHKOOPOBONUPSE-WDEREUQCSA-N	301.387	1.929	50	20	DDGD	
COc1cc(C)c(NCc2ccc(B(O)O)cc2F)cc1OC	585012270	FXJZRHLXAIEUDJ-UHFFFAOYSA-N	319.141	1.443	50	20	DDGD	
CC(C)CN1CC[C@H](CNC(=O)/C(C#N)=C\c2cnn(C)c2)C1	491101817	GEFBTIASRDCDDI-RABFGMAYSA-N	315.421	1.421	50	20	DDGD	
C=CCN(Cc1cccs1)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	827315702	UROQCVDITFBXKT-YPMHNXCESA-N	323.418	1.902	50	20	DDGD	
CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	908054071	TXUMOKCQGLVGFP-ZWNOBZJWSA-N	308.382	1.312	50	20	DDGD	
Cn1nnc2cc(C=NNC(=O)c3ccc(Cl)nc3)ccc21	737429740	BGGYYNDYEBPVBQ-UHFFFAOYSA-N	314.736	1.781	50	20	DDGD	
CN(CCCC(=O)NNC(=O)c1c[nH]c2ccccc12)C(=O)O	737427764	XZPNQBQZTPMRSV-UHFFFAOYSA-N	318.333	1.319	50	20	DDGD	
C[C@H](NCc1cccc(B(O)O)c1)c1nc2c(s1)CCCC2	585024863	FPAVCQNOSKDNJX-NSHDSACASA-N	316.235	1.553	50	20	DDGD	
COC[C@H](NC(=O)[C@]1(C)C[C@@H]1Br)[C@H]1CCCO1	907851292	YZRJJUMTVCSDJS-MIZYBKAJSA-N	306.200	1.470	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNC(=O)c1cc2c(s1)CCC2	839474204	ZDOOYHPQERQTJB-SNVBAGLBSA-N	324.402	1.587	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(C(=O)OC)cc1F	905016180	RPJIHCKAQXGZIG-YRVKEHPISA-N	320.320	1.670	50	20	DDGD	
CCNC(=O)NNS(=O)(=O)c1cc(F)ccc1OC(C)C	901865704	CAEXQKZIBHJUQX-UHFFFAOYSA-N	319.358	1.125	50	20	DDGD	
CC[C@@H](C)CN(C)c1ccc(F)cc1C=NNC(=O)C(N)=O	734744062	YNWPEAWRCVFHQA-SNVBAGLBSA-N	308.357	1.243	50	20	DDGD	
C=C(C)CCNC(=O)NNC(=O)COc1ccc(OC)cc1	838659510	GOJDPFNDULMAJL-UHFFFAOYSA-N	307.350	1.371	50	20	DDGD	
CCCN(C)CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	730272402	LRHZGYSUAAGLHH-UHFFFAOYSA-N	307.438	1.692	50	20	DDGD	
CO[C@@H]1COCC[C@@H]1CNC(=O)[C@@]1(C)C[C@H]1Br	908671534	BEPJZEQTDHGWKS-BFLSOPEQSA-N	306.200	1.328	50	20	DDGD	
O=C(c1ccc(-c2ccccc2F)o1)N1CC[C@@H](B(O)O)C1	585076149	WKNYFYNHFWYJMS-SNVBAGLBSA-N	303.098	1.775	50	20	DDGD	
C[C@@H](NCc1ccccc1B(O)O)[C@H]1OCCc2sccc21	585042411	CTQKKRQYXKNFIS-BDJLRTHQSA-N	317.219	1.220	50	20	DDGD	
CCc1ccccc1O[C@@H](C(=O)NCB(O)O)c1ccccc1	585059575	SROQPCYWOICFHZ-MRXNPFEDSA-N	313.162	1.497	50	20	DDGD	
CCC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CCCC1	834944900	ZFFXIOVORPZPMD-LLVKDONJSA-N	301.412	1.429	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@@H]2CCOC(C)(C)C2)nc1	836676523	LLINAVCGIOFABO-LLVKDONJSA-N	308.382	1.922	50	20	DDGD	
O=C(NCB(O)O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1	585060556	SISYWFOXPXEMRG-MNOVXSKESA-N	316.191	1.474	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]32)n1	831881901	MJYBKOGJFCRIOY-TUAOUCFPSA-N	318.377	1.228	50	20	DDGD	
COCC1(C(=O)NNc2nc(-c3cccnc3)no2)CCCC1	837407833	JYZZNHMYCSJKAI-UHFFFAOYSA-N	317.349	1.782	50	20	DDGD	
CCC[C@H](NC(=O)c1cccc(B(O)O)c1)c1cccs1	584934799	SXNZGBBMLOHWMX-ZDUSSCGKSA-N	303.192	1.699	50	20	DDGD	
Cc1occc1CNC(=O)NNC(=O)COCc1ccccc1	738461386	SYWICIYJDLZCCI-UHFFFAOYSA-N	317.345	1.635	50	20	DDGD	
COc1ccc(C#N)cc1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	831388374	CTOIODJCPBGBLX-GXSJLCMTSA-N	318.333	1.145	50	20	DDGD	
C[C@@H](NCc1ccc(B(O)O)cc1F)[C@@H]1COc2ccccc21	585029020	AYFGIADDQDLHFW-ABAIWWIYSA-N	315.153	1.160	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1c(Cl)nc2ccccn12	833384113	CBYHYEYTMCCNBL-UHFFFAOYSA-N	309.713	1.096	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H](CO)CN1CCCC1	908206926	VFJGYGDIGDENFS-SCZPIIQISA-N	317.364	1.306	50	20	DDGD	
CCCN(C)CC(=O)NNC(=O)COc1cc(C)ccc1C	730095315	AKVYAMNYEXJGQP-UHFFFAOYSA-N	307.394	1.171	50	20	DDGD	
CON(CC1CCOCC1)C(=O)[C@]1(C)C[C@@H]1Br	908047919	CLNCPFPZNMXJNB-CMPLNLGQSA-N	306.200	1.977	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ncoc2C(C)C)c1O	732276595	MABZRMSRAVGQPU-UHFFFAOYSA-N	319.317	1.587	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1NC(=O)NNC(=O)COc1ccccc1C#N	838761617	UNSSOJSXXPNHOZ-QWHCGFSZSA-N	316.361	1.312	50	20	DDGD	
COC[C@]1(CO)CCN(/C(=C\C#N)c2cccc([N+](=O)[O-])c2)C1	832390654	XLSKDYIBVXKALQ-STJUIISESA-N	317.345	1.790	50	20	DDGD	
COc1ccccc1SCC(=O)NN=C1CCn2ccnc21	834967007	RIIRDQJHCHSPLC-UHFFFAOYSA-N	316.386	1.908	50	20	DDGD	
CCCn1nccc1C(=O)NNc1ccccc1S(C)(=O)=O	830426567	QHWMUQDTEQZJHP-UHFFFAOYSA-N	322.390	1.454	50	20	DDGD	
CSCc1cccc(CNCc2ccccc2B(O)O)c1	585036743	LQMTWTKTTLZDPN-UHFFFAOYSA-N	301.220	1.519	50	20	DDGD	
COc1ccc(F)c(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	831546249	PVSONCSFKGTFEC-WCBMZHEXSA-N	311.313	1.412	50	20	DDGD	
CSc1nc(C(C)C)nc(C)c1C(=O)NN(C)C[C@@H](C)O	910172616	DHLGGPNGABBKNE-SECBINFHSA-N	312.439	1.588	50	20	DDGD	
COc1cccc(NNC(=O)NCCc2ccc(C)cn2)n1	836685389	YSERCNIEALULLB-UHFFFAOYSA-N	301.350	1.662	50	20	DDGD	
Cn1c(=O)oc2cc(NC(=O)NNC(=O)C3CCC3)c(F)cc21	839164358	PSWURVJFCWWUBA-UHFFFAOYSA-N	322.296	1.223	50	20	DDGD	
Cc1c(C(=O)NN(C)C[C@H](C)O)[nH]c2c1C(=O)CC(C)(C)C2	910178394	BICXGLIYYOLVDK-VIFPVBQESA-N	307.394	1.436	50	20	DDGD	
O=C(CN1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1)NNC(=O)c1ccccc1	830277447	AEFYGOJDMFKMNF-YHUYYLMFSA-N	311.385	1.202	50	20	DDGD	
CC(=NNC(=O)c1csc(N2CCOCC2)n1)C1CCC1	747627356	DJZWBXMDSUFRBR-UHFFFAOYSA-N	308.407	1.886	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])o1	747393341	BVEVROGOVOMQRU-UHFFFAOYSA-N	324.680	1.697	50	20	DDGD	
CCO[C@@H]1CCC[C@H]1NCC(=O)NNC(=O)c1cccc(C)c1	832574484	LJUNPMXIDVKSNZ-HUUCEWRRSA-N	319.405	1.303	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(S)n1)c1scnc1C	915111532	JNZHVSGQOQFSEZ-UHFFFAOYSA-N	323.403	1.319	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCOCC(C)C)cc1C	915286431	RSXNIHZNIRYHHI-UHFFFAOYSA-N	322.405	1.892	50	20	DDGD	
Cc1nc(C=NNC(=O)[C@H](C)CN2C[C@H](C)O[C@H](C)C2)cs1	916372230	PEVDGLMHXUDYOC-UTUOFQBUSA-N	324.450	1.647	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Cc1ccn(-c2ccc(F)cc2)n1	742046724	FJZCUXKEJKBBCM-UHFFFAOYSA-N	318.352	1.747	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2ccc(OCC(F)F)cc2)cn1	741808819	BYEDNQBLBUUGGG-UHFFFAOYSA-N	308.288	1.828	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)[C@H]2CCO[C@H]2C)c(OC)c1	842555010	NEQDVKDKGVUKKV-FZMZJTMJSA-N	306.362	1.969	50	20	DDGD	
O=C(CN1CSCCSC1)NNc1nc2ccccc2[nH]1	913507559	PITVSMSZPCDWIP-UHFFFAOYSA-N	323.447	1.703	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@@H]1CCC[C@H](C(F)(F)F)C1	745986195	MWLVLRKAVVGSAH-ZJUUUORDSA-N	323.315	1.428	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cccc(C#N)c2)c(C2CCC2)n1	840320746	LWGWMZXJJQQEQY-UHFFFAOYSA-N	323.356	1.634	50	20	DDGD	
C[C@H]1C[C@H]1c1ccc(CNC(=O)NNC(=O)c2ccc[nH]2)o1	918077999	LNKIXKADIHHELN-GXSJLCMTSA-N	302.334	1.875	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H](C)c2ccco2)cc1	743294190	SMHAPAKRRARNOI-LBPRGKRZSA-N	301.346	1.951	50	20	DDGD	
O=C1CC[C@@](C(=O)NCC(Cl)Cl)(c2ccccc2)CN1	848067584	DBHFGVLVWCHTSZ-AWEZNQCLSA-N	315.200	1.754	50	20	DDGD	
COc1ccnc(C=NNC(=O)COc2cc(C)cc(C)c2)n1	842522731	UDKWGMSQYIZLKA-UHFFFAOYSA-N	314.345	1.631	50	20	DDGD	
C[C@H]1CC[C@H](C(=O)NNc2ccc(-n3ccnc3)nn2)CC1	846142217	RBMNYZNXNGTPNX-HAQNSBGRSA-N	300.366	1.932	50	20	DDGD	
Cc1ncc2n1C[C@@H](C(=O)NNc1cccc([N+](=O)[O-])c1)CC2	845855673	KFQNLHYHFRWIRR-NSHDSACASA-N	315.333	1.805	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@H]2C[C@@]2(C)c2ccccc2)cn1	743641082	FPTMNIWWWUBPKG-BBRMVZONSA-N	313.361	1.094	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1nc2ccccc2n1C	745591365	WZNNKTLNJLHEKW-UHFFFAOYSA-N	301.350	1.339	50	20	DDGD	
COc1c(C)cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1C	843663186	VZCYLZFRYPWMRM-AAEUAGOBSA-N	306.362	1.498	50	20	DDGD	
C=C(CBr)CN1CCC(CO)(NCC2CC2)CC1	844337400	DYTFHOVJMIGSLO-UHFFFAOYSA-N	317.271	1.764	50	20	DDGD	
COc1ccc(C(=O)NN(C)C[C@@H](C)O)c(OC(F)F)c1	910151719	DPBDLUJAFFMQDG-MRVPVSSYSA-N	304.293	1.254	50	20	DDGD	
CCC(=O)Nc1cccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	843647945	VJNICIANXOAKOD-MFKMUULPSA-N	319.361	1.221	50	20	DDGD	
CCCN1C(=O)C(=NNC(=O)N2CCOCC2)c2ccccc21	745591368	XGIPABPDAFZTDA-UHFFFAOYSA-N	316.361	1.189	50	20	DDGD	
NC(=O)CCCC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	746346026	DFLMOGFJROJUFR-UHFFFAOYSA-N	321.421	1.396	50	20	DDGD	
O=C(NN=Cc1c[nH]c2cc(Cl)ccc12)C(=O)NC1CC1	918711132	PXBRXRZSVFKXPW-UHFFFAOYSA-N	304.737	1.550	50	20	DDGD	
C[C@@H]1CN(C[C@@H](C)C(=O)NN=Cc2cccc(O)c2)C[C@@H](C)O1	916372255	PMENMZJGANBNJF-MGPQQGTHSA-N	319.405	1.588	50	20	DDGD	
CCCc1cc(C(=O)NNc2ccc(CC(=O)OC)cc2)n[nH]1	846370737	QPCPKVBMRLEQOJ-UHFFFAOYSA-N	316.361	1.835	50	20	DDGD	
O=C(C[C@H]1CCCC(=O)N1)NNc1ccc(F)c([N+](=O)[O-])c1	842247350	GOYJYPQXUJBQOI-MRVPVSSYSA-N	310.285	1.236	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc([N+](=O)[O-])cc1)[C@H](C)S(C)(=O)=O	841407905	DNSHREFIBCZNFD-BDAKNGLRSA-N	315.351	1.107	50	20	DDGD	
COc1ccccc1CC(=O)NN=C(C)C[C@H]1CCCC(=O)N1	841620566	IWMZGHJOSPMCLB-CQSZACIVSA-N	317.389	1.789	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H]2CCC(=O)N2)cc1C(F)(F)F	748623774	PMONCIGDTXLOFX-SNVBAGLBSA-N	312.251	1.299	50	20	DDGD	
CCOc1ccc(C(=O)CCC(=O)NNC(=O)N(C)C)cc1	746012978	QNYUFCILHGYRRX-UHFFFAOYSA-N	307.350	1.351	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc2cc(F)ccc2[nH]1	843975221	QPLMSXABUAITSK-KWQFWETISA-N	305.309	1.493	50	20	DDGD	
O=C(NN=Cc1cnc(-c2ccccc2)nc1)N1CCOCC1	745592246	RHGPWYOLEOKNCI-UHFFFAOYSA-N	311.345	1.519	50	20	DDGD	
CO[C@@H]1COCC[C@H]1CNC(=O)NNc1cc(F)ccc1F	922698003	WNWWVIAVOSBNAU-TVQRCGJNSA-N	315.320	1.642	50	20	DDGD	
CCC(=NNC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@@H]1C[C@H]1C	841641061	QLTWQDYHOVJTHJ-BXKDBHETSA-N	324.406	1.878	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1ccc(OC)cc1	740763964	UZFRSMWAPAJPON-UHFFFAOYSA-N	305.378	1.840	50	20	DDGD	
COc1ccccc1CC(=O)NN=C1CCCc2c1cnn2C	920373601	KFZDAILYSIKWGM-UHFFFAOYSA-N	312.373	1.828	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1ccc(OC)c(OC)c1	920833391	NLSNNYQSFXBYCQ-UHFFFAOYSA-N	309.366	1.764	50	20	DDGD	
C[C@@H]1Cc2ccccc2C1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	751130737	MNTCEIVZUHJZJY-ZYHUDNBSSA-N	321.402	1.069	50	20	DDGD	
CO[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc(F)n2)C12CCC2	852710052	IJICXHPNDGZAJV-WDEREUQCSA-N	322.340	1.122	50	20	DDGD	
CN(NC(=O)NC1CCN([C@@H]2CCOC2)CC1)c1ccccc1	852635067	DDFKRVQZOGPEHV-MRXNPFEDSA-N	318.421	1.590	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@H]1CCN(CC2CC2)C1	856867657	WNZQONYUMBYOGZ-NSHDSACASA-N	310.789	1.240	50	20	DDGD	
Cc1nn(C)c(C)c1OCC(=O)NNc1ccc(Cl)nc1	759094603	KWFAJZBNGASGDP-UHFFFAOYSA-N	309.757	1.607	50	20	DDGD	
COc1cc(Br)cc(C(=O)NNC(=O)C2CC2)c1	929231983	MWHJLJNINRLQCW-UHFFFAOYSA-N	313.151	1.629	50	20	DDGD	
COC(=O)c1nc(=NC[C@@]2(C)C[C@H]2Br)cc[nH]1	856787226	MUPXDGXVENQYJM-RDDDGLTNSA-N	300.156	1.271	50	20	DDGD	
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NNC(=O)COc1ccccc1F	854193753	HLZSFQUUAGYJRK-ZWNOBZJWSA-N	324.352	1.556	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccccc1SCCC(N)=O	756360180	GBMORMTYHZXRLK-UHFFFAOYSA-N	310.379	1.217	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)N2CCC[C@H]2C2CCCCC2)N1	858693853	AECXFUNWNQWRNB-OLZOCXBDSA-N	322.409	1.051	50	20	DDGD	
C[C@H](Cc1ccc(F)cc1)C(=O)NNC(=O)c1cccn1C	921022951	RJMOFGPBPJARGD-LLVKDONJSA-N	303.337	1.804	50	20	DDGD	
CC(C)(C)CCC1(O)CC(C(=O)NNC(=O)c2cc[nH]n2)C1	855355652	CRAXKOMMNUASJG-UHFFFAOYSA-N	308.382	1.138	50	20	DDGD	
C[C@H](OC[C@H]1CCCCO1)C(=O)NNC(=O)CC(F)(F)F	921203418	JJXSJVRQIUUVSN-DTWKUNHWSA-N	312.288	1.060	50	20	DDGD	
C[C@H]1CN(C2CC2)CC1=NNC(=O)CCc1ccccc1O	755892757	CYESZUXNBCUECK-LBPRGKRZSA-N	301.390	1.911	50	20	DDGD	
CC(C)(C)c1ncc(C=NNC(=O)CN2CCCC2=O)s1	920370471	JOEZAGAEZGLGLL-UHFFFAOYSA-N	308.407	1.513	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1cnccc1C(F)(F)F	852719043	DJVCDAFHRLOIHX-UHFFFAOYSA-N	304.272	1.587	50	20	DDGD	
O=C(CCN1CCOCC1)NNc1cc(F)cc(Cl)c1	855619443	MFKSOHNBTLWJTL-UHFFFAOYSA-N	301.749	1.645	50	20	DDGD	
CO[C@](C)(C(=O)O)C(=O)NNc1ccccc1C(F)(F)F	852951791	ZGYXOCCPBAJEEP-NSHDSACASA-N	306.240	1.638	50	20	DDGD	
CCN(CC)[C@H](C(=O)NNC(=O)c1cc[nH]n1)c1ccccc1	855358334	GSTKUCDWORFSGJ-AWEZNQCLSA-N	315.377	1.254	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@H](C)c1ccccc1C	929426849	OLCKWBCHNOKIKG-CYBMUJFWSA-N	323.462	1.973	50	20	DDGD	
O=C(CCCCN1CCOCC1)NNc1ccnc(Cl)c1	855465202	JWOZOMXSSONFER-UHFFFAOYSA-N	312.801	1.681	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2CCn3ccnc3C2)cc1F	854006547	ILRCOYVUPHCOMW-LLVKDONJSA-N	303.341	1.972	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CSc1nc2ccccc2o1	757761766	YXWOBYARIFRZJH-UHFFFAOYSA-N	317.370	1.871	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1	858288762	OZLSPKSRYZPADY-GHMZBOCLSA-N	322.434	1.626	50	20	DDGD	
CCn1cc(C(=O)C(=O)NNc2ccccc2[N+](=O)[O-])cn1	758037336	ABFFGXBCSCFVEY-UHFFFAOYSA-N	303.278	1.137	50	20	DDGD	
CCC1(CC)C(=O)NCCC1=NNC(=O)c1cccc(F)n1	853444254	OGDDJTXLZDVLDH-UHFFFAOYSA-N	306.341	1.633	50	20	DDGD	
CCOc1ccc(C[C@@H](C)C(=O)NNc2cnnn2C)cc1	857270736	MQQMGLFRRJNOCU-LLVKDONJSA-N	303.366	1.536	50	20	DDGD	
CC(C)(C)n1nnc(C=NNC(=O)c2cccc3cccnc23)n1	853298479	SNONWBJKMAQSFU-UHFFFAOYSA-N	323.360	1.740	50	20	DDGD	
CCC(C)(C)OCc1cccc(NC(=O)NNC(=O)CO)c1C	756872332	SBJIRQYFONDGPQ-UHFFFAOYSA-N	323.393	1.845	50	20	DDGD	
COC(=O)c1ncoc1CCC(=O)NNc1cc(F)ccc1C	855370724	FPJJUCUQJUWZKV-UHFFFAOYSA-N	321.308	1.985	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N(C)CCc1nccs1	752996908	IDZVVQBQEGKCHW-UHFFFAOYSA-N	318.402	1.980	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNC(=O)[C@H]1COc2ccccc2O1	858122152	QNYWKVUHLDGDIX-ZIAGYGMSSA-N	322.361	1.179	50	20	DDGD	
CN(C)[C@H](C(=O)NNc1ncccc1[N+](=O)[O-])c1ccccc1	759301667	ZXJKRSBGXAIBNC-ZDUSSCGKSA-N	315.333	1.736	50	20	DDGD	
CC(=O)NNC(=O)[C@H](CCC(C)C)NC(=O)OC(C)(C)C	858108868	HXNKVRATOQWVBM-NSHDSACASA-N	301.387	1.483	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1ccc2c(c1)CCCO2	853331335	PHHNWNRZTJTSBV-UHFFFAOYSA-N	305.334	1.208	50	20	DDGD	
COC1(C(=O)NNC(=O)Cc2ccncc2)CCCCCC1	934043626	MPSCQXIUPFBEFW-UHFFFAOYSA-N	305.378	1.511	50	20	DDGD	
CCC[C@H](O)C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	935857793	HYPXNXGVZMQKEV-JTQLQIEISA-N	317.292	1.602	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)CNc1ccc(C)cc1C	755681484	KBIHJPVODVHGDJ-GFCCVEGCSA-N	307.394	1.535	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H](CO)c1ccccc1	866830982	UTOYSTJKNYGVHK-LBPRGKRZSA-N	305.827	1.904	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NN=Cc1cnc(C2CC2)o1	863106805	QQSFQXANDNSCTD-UHFFFAOYSA-N	322.365	1.917	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)NNc1nc2ccccc2[nH]c1=S	862292726	DCXGWJASROZSJS-UHFFFAOYSA-N	319.390	1.650	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ncccc1C(F)(F)F	765563080	KEVOANHJHXSUIB-UHFFFAOYSA-N	302.256	1.075	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1C[C@@]12CCOC2	763372679	DFHAHIWVVHXHBJ-CQVKLTNQSA-N	318.417	1.777	50	20	DDGD	
O=C(NNc1ncccc1C(F)(F)F)c1cn(C2CC2)nn1	863883128	UZSYKKFPDVOBQR-UHFFFAOYSA-N	312.255	1.784	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(F)ccc1CC	869803756	XZNDMFSSZGLGHG-VIFPVBQESA-N	310.325	1.491	50	20	DDGD	
CN(N=Cc1cnn(-c2ccc(Br)cc2)c1)C(N)=O	767909284	LRHAIDIPZXSANG-UHFFFAOYSA-N	322.166	1.979	50	20	DDGD	
C/C=C(/C)C(=O)NNC(=O)c1cc(-c2ccccc2OC)[nH]n1	763168057	OHVSWRNHMGXJFK-WMZJFQQLSA-N	314.345	1.813	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCN(C)CC(F)F	863810345	NYWGSUUKEJZJPE-UHFFFAOYSA-N	322.787	1.665	50	20	DDGD	
COC(=O)[C@@](C)(O)CNC(=O)CCCC[C@@H]1CCSS1	763279150	JJXPSJAOXDLWDI-MFKMUULPSA-N	321.464	1.741	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H]2CCCN2Cc2ccccc2)cc[nH]1	862510520	JPSDPKCNOBMNGQ-QGZVFWFLSA-N	310.401	1.920	50	20	DDGD	
CC[C@H](C)c1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1	862456644	QIPZSJXMYDKRPL-GXFFZTMASA-N	303.362	1.240	50	20	DDGD	
CCC(CC)[C@@H](C)C(=O)NNc1nccc(N2CCOCC2)n1	762262332	MCSIXBKMFOHWQP-GFCCVEGCSA-N	321.425	1.829	50	20	DDGD	
CN(NC(=O)[C@@]1(C2CCCC2)CCNC1=O)c1ccccc1	863858346	VIWJSOBOSVOTOC-QGZVFWFLSA-N	301.390	1.851	50	20	DDGD	
COCC[C@@](C)(O)CNC(=O)[C@@H](Br)C(C)(C)C	768202271	XPYPNQWRDLDBCN-BXKDBHETSA-N	310.232	1.700	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@@H](OC)C(C)C	769729369	UJWTVSBKBTZQRW-HNNXBMFYSA-N	324.377	1.283	50	20	DDGD	
O=C(NNC(=O)c1cnn2ncccc12)c1cccc(Cl)c1	765186443	TUDRZAJNHLESLQ-UHFFFAOYSA-N	315.720	1.458	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(-n2cccn2)c(F)c1	767203250	UQOJAWCCROSJQQ-UHFFFAOYSA-N	320.328	1.709	50	20	DDGD	
COc1ccc2c(ccn2CC(=O)NNC(=S)NC(C)C)c1	1115851696	IPIAVJRCKAIEBR-UHFFFAOYSA-N	320.418	1.554	50	20	DDGD	
Cc1sccc1NC(=O)C(=O)NNC(=O)CC1CCCC1	873804360	ASNRGEJZRZHXTH-UHFFFAOYSA-N	309.391	1.723	50	20	DDGD	
Cn1cncc1CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	776317984	MUSDKXXOBUUKCF-UHFFFAOYSA-N	316.405	1.326	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2cncc(Br)c2)c[nH]1	1116394244	PTXDCTDQSKABBE-UHFFFAOYSA-N	324.138	1.028	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1cccnc1)c1ccc(F)c(F)c1	1116131082	GGDZIARKQQFZFV-JTQLQIEISA-N	319.311	1.853	50	20	DDGD	
Cc1ccc(C(F)(F)C(=O)NNC(=O)Cc2ccncc2)cc1	779970849	QRYYKZLIAVQLGP-UHFFFAOYSA-N	319.311	1.872	50	20	DDGD	
Cc1cc(C(=O)NNc2nc(-c3ccncc3)no2)ccc1O	779381709	PSXISDZNUZSNQJ-UHFFFAOYSA-N	311.301	1.903	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2c(C)cnn2C)c(C)c1	873761333	ZKFASGZKUNSWLQ-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	770747854	QRYJRURVBBRFKT-XPSVCEGCSA-N	308.422	1.901	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc2c(c1)N(C)CCO2	874193317	RWEBPQOKEJHMQE-UHFFFAOYSA-N	306.366	1.259	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1CCCN(c2ccccc2)C1	875298204	UVYUXXJKCBFYMI-GFCCVEGCSA-N	306.366	1.568	50	20	DDGD	
CCc1[nH]c(C(=O)NNc2ccc(F)cn2)c(C)c1C(=O)OC	874650969	IJYPBLWIDJVUBB-UHFFFAOYSA-N	320.324	1.963	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc(OC(F)F)cc1F	872399303	FLHUFGLTVRRRPY-UHFFFAOYSA-N	320.267	1.540	50	20	DDGD	
COCc1noc(COC(=O)/C(C#N)=C/c2ccc(O)cc2)n1	777106660	XFSRDHLPONNAIP-IZZDOVSWSA-N	315.285	1.572	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)c1ccc(C#N)cc1Cl	779829095	CWGJZCJKVJNQAB-UHFFFAOYSA-N	301.755	1.177	50	20	DDGD	
CCC(C)(C)NC(=S)NNC(=O)Cc1ccccc1OC	774163288	KOURTBZQXGKGKN-UHFFFAOYSA-N	309.435	1.922	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)NC[C@H]2C=CCC2)c1	883833112	UQKCZGNWTPDXPS-AWEZNQCLSA-N	317.389	1.979	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NC[C@H]1C=CCC1	883832555	FGYUTHXIUPMWLZ-RYUDHWBXSA-N	321.352	1.890	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)COc1ccccc1	777772986	FEJQVCHOZKQDPD-UHFFFAOYSA-N	300.314	1.995	50	20	DDGD	
CCN(Cc1ccccc1NC(=O)NNC(=O)C(C)C)C(C)=O	782552012	DGMVJEFWJJFNSB-UHFFFAOYSA-N	320.393	1.864	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccnn1	882060008	NIXZUKZHEWCTCN-BDAKNGLRSA-N	316.283	1.606	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)CN3C2)n1	1123584231	LYCXNMXEOKIGFS-LERXQTSPSA-N	303.410	1.657	50	20	DDGD	
COCc1cccc(CC(=O)NNc2ncncc2Cl)c1	781838068	SFSAKSGFGJZIBB-UHFFFAOYSA-N	306.753	1.962	50	20	DDGD	
O=C(C[C@@H]1NC(=O)c2ccccc21)NNC(=O)C1CCCC1	895688309	LWVGPQIGNSXSAA-ZDUSSCGKSA-N	301.346	1.199	50	20	DDGD	
Cc1cc(C(=O)NN=C2CCOc3c(F)ccc(F)c32)n[nH]1	783855892	PMTFYNQJGZDROM-UHFFFAOYSA-N	306.272	1.913	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)c2cc(-c3ccccc3)on2)CO1	784144244	ILQMERVZGICTOQ-ZYHUDNBSSA-N	315.329	1.528	50	20	DDGD	
C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)CCCCCl	780835476	QHMFOTZCMIZDTR-LBPRGKRZSA-N	310.891	1.997	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1cccc2c1OCCC2=O	782614934	TYPNAOJEBZFCPX-UHFFFAOYSA-N	303.318	1.605	50	20	DDGD	
CC(C)c1ccc(NC(=O)C(=O)NNc2ncc(F)cn2)cc1	784950677	XJACWMHEZIKNEE-UHFFFAOYSA-N	317.324	1.821	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCOC2(CCC2)C1)c1cccc(Cl)n1	898782425	DAGSFRSHCCOJGA-JTQLQIEISA-N	323.780	1.845	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(C#N)o2)cc1OC	794211744	VTWSBCNSALBPNC-UHFFFAOYSA-N	315.285	1.243	50	20	DDGD	
Cc1nn(C)c(-n2ccnc2C)c1C(=O)NNc1ccccn1	793778772	FZUZIPXINCDFTO-UHFFFAOYSA-N	311.349	1.375	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@H]2CCC(F)(F)C2)o1	797552093	SBUIBCLWJQRKKQ-SECBINFHSA-N	301.293	1.967	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCC(=O)N1CCCCCC1	791023036	RMVGNFYVVCHNAE-UHFFFAOYSA-N	319.409	1.809	50	20	DDGD	
Cn1c(C(=O)NNC(=O)NCC(F)(F)F)cc2ccccc21	798314442	LZIHIPSSBXDOQP-UHFFFAOYSA-N	314.267	1.685	50	20	DDGD	
CCN(C(=O)NCCSSC)[C@@H](C)CS(C)(=O)=O	790878122	HTBHLFGIJIESCJ-VIFPVBQESA-N	314.498	1.462	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)c1cc(C)nc2ccccc12	799009620	FHLFXCVNSHBIFJ-UHFFFAOYSA-N	323.356	1.834	50	20	DDGD	
COC1(CC(=O)NNC(=O)Cc2ccc(Cl)cc2)CCC1	790124530	NWEZBWXPOABEMV-UHFFFAOYSA-N	310.781	1.989	50	20	DDGD	
O=C(NNc1cccnn1)c1cnn(CCO)c1-c1ccccc1	793806687	BRWAQPFRLGAARR-UHFFFAOYSA-N	324.344	1.089	50	20	DDGD	
CCOC(=O)c1cccc(S[C@H](C)C(=O)NNC(=O)CC)c1	794451633	AAEZMWMOOGCZHY-SNVBAGLBSA-N	324.402	1.901	50	20	DDGD	
Cn1ccc2ccc(NC(=O)NNc3ncccn3)cc2c1=O	794384048	LOCRGIHRABGFII-UHFFFAOYSA-N	310.317	1.477	50	20	DDGD	
N#Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2)cc1F	793348716	CIPHCHVDIWYXFF-UHFFFAOYSA-N	319.317	1.321	50	20	DDGD	
COC(=O)N1CCN(C[C@H](CBr)C2CC2)CC1	701849548	WMBYIYOCSGGESR-NSHDSACASA-N	305.216	1.792	50	20	DDGD	
CC1CCN(CCC(=O)NN=C2CC(=O)N3CCCC[C@@H]23)CC1	1325158467	QFSIKQBCPRVBQR-HNNXBMFYSA-N	320.437	1.365	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(C)n(C3CC3)c2C)nc(N)n1	1329881874	OLKZRYNTFABGDR-UHFFFAOYSA-N	300.366	1.877	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1cnn2ccncc12	1322951955	KPVVUIVDRAGIRM-UHFFFAOYSA-N	323.238	1.295	50	20	DDGD	
CCN1CCC[C@@H](CNC(=O)NNC(=O)c2cccc(C)n2)C1	1324976707	RVMKLFAWYXMMND-ZDUSSCGKSA-N	319.409	1.066	50	20	DDGD	
C[C@H]1CC[C@H](CCC(=O)NNC(=O)c2n[nH]c3c2CCCC3)O1	1323282713	HFXVCYRDICFVLH-WDEREUQCSA-N	320.393	1.397	50	20	DDGD	
CCc1ccccc1CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	1328118598	CODKDGFRBUAWGD-RISCZKNCSA-N	305.378	1.504	50	20	DDGD	
CCN1C[C@@H](C)N(C(=O)NNC(=O)c2cc(C)cs2)C[C@H]1C	1334939290	KSOYWIRQSJCJFB-VXGBXAGGSA-N	324.450	1.825	50	20	DDGD	
O=C(CCO)NN=C1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]12	1330721758	QWVBUPGLXBGNCB-NVXWUHKLSA-N	315.417	1.916	50	20	DDGD	
N#Cc1cccc(NNC(=O)[C@H]2CC23CCS(=O)(=O)CC3)c1	1331221573	ISIYCLLYYFAWJW-CYBMUJFWSA-N	319.386	1.216	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H](C)OCc1ccncc1)C1CC1	1348729635	CSRPUBVDJAYAAT-WDEREUQCSA-N	322.434	1.281	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)[C@H]1CN2CCN1C[C@H]2C	1263818060	LKNSYFIXQKSWLR-UKRRQHHQSA-N	302.422	1.389	50	20	DDGD	
C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNc1cc(F)cc(Cl)c1	1347107856	FKUWPRBOLYNXSX-NOZJJQNGSA-N	312.776	1.311	50	20	DDGD	
O=C(O)c1ccnc(C(=O)NNc2cc(F)c(F)c(F)c2)c1	1602482438	ZCPLEGQNKYPDGT-UHFFFAOYSA-N	311.219	1.954	50	20	DDGD	
Cc1nsc(C)c1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1609463642	AUIKCEXVGGUXIA-UHFFFAOYSA-N	315.362	1.697	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1cn(-c2cccnc2)nn1	1608483949	GOWROLRURHQWOZ-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
CCC[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)cn1)C(C)C	1604128133	UXHNLQILVNIQOB-LLVKDONJSA-N	303.370	1.777	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)CCC(C)C)oc1C(=O)O	1607706815	DJTPCWMPBKKLKC-UHFFFAOYSA-N	318.351	1.032	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)N[C@@H]1CCc2nc[nH]c2C1	1601558674	DKSREYUDBUVDDW-SNVBAGLBSA-N	315.333	1.292	50	20	DDGD	
COCCN(CCC(=O)O)C[C@H](CBr)C1CC1	1604604579	FCOVYAFWBOXUNB-NSHDSACASA-N	308.216	1.831	50	20	DDGD	
C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NN=c1cc[nH]cc1	1603576380	GQTBUPPASZQXNH-NSHDSACASA-N	323.360	1.006	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccc(C(=O)O)c(F)c2)c(O)n1	1600340881	AXJWIHRLFUHBCH-UHFFFAOYSA-N	305.265	1.690	50	20	DDGD	
Cc1oc(C=NNC(=O)c2ccc(O)c(O)c2)cc1C(=O)O	1600837818	BJJFLXSCQPESJG-UHFFFAOYSA-N	304.258	1.461	50	20	DDGD	
O=C(O)C12CC(C(=O)NNc3ccc([N+](=O)[O-])cc3F)(C1)C2	1608582160	BRYRQEPKLAUADA-UHFFFAOYSA-N	309.253	1.432	50	20	DDGD	
COc1cc(CN(CC(=O)O)C(=O)CCl)cc(OC)c1	1610293388	ZJWFTPZCDHKRFE-UHFFFAOYSA-N	301.726	1.356	50	20	DDGD	
C[C@H](CN)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(Cl)Cl	1802341100	YHTWGXLEYMGPES-DOLQZWNJSA-N	322.236	1.023	50	20	DDGD	
COC[C@H](C)C=NNC(=O)[C@H]1CCCO[C@@H]1c1ccnn1C	1549314418	CWCQVQGUHLZTRG-DYEKYZERSA-N	308.382	1.272	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C[C@@H]1CCCO[C@@H]1c1ccnn1C	1552452609	GENASGWNMJOOAB-ABHRYQDASA-N	320.393	1.415	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C=NNC(=O)c1ccon1	1553288189	PZMHSCLHSYKCBO-ZWNOBZJWSA-N	303.322	1.292	50	20	DDGD	
C[C@@H]1CCc2c(C(=O)NNC(=O)[C@H]3CCCNC3)csc2C1	1576759573	YMLJZWJWTVDPLI-MNOVXSKESA-N	321.446	1.634	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@]2(C(=O)O)CC2(C)C)c1	1574396906	CFQAIAIXMCBKPH-MRXNPFEDSA-N	320.345	1.022	50	20	DDGD	
O=C(CCNCC1CC1)NNC(=O)CSc1ccccc1O	1580538514	XJMYIFFAXZHHOW-UHFFFAOYSA-N	323.418	1.021	50	20	DDGD	
O=C(/C=C/[C@H]1CCCNC1)NNC(=O)c1cccc(Cl)n1	1580493796	LHGALESVVFYJIH-VQCYPWCPSA-N	308.769	1.052	50	20	DDGD	
CC(=O)N1CCC(C(=O)NNc2ccc(F)c(C(=O)O)c2)CC1	1589061061	JTNDDDWTBIPBLY-UHFFFAOYSA-N	323.324	1.226	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H]2CC=CCC2)o1	1589773678	IRVQLVRNUJQMMQ-VIFPVBQESA-N	317.353	1.778	50	20	DDGD	
O=C(NNc1cccc(F)c1Cl)[C@@]1(F)CNCC12COC2	1580740105	WJVMCWGTYNLAFX-ZDUSSCGKSA-N	317.723	1.250	50	20	DDGD	
CN(CC(=O)NNc1ccccc1C(=O)O)Cc1ccccc1	1598396537	KVEUYQZHTCRUFU-UHFFFAOYSA-N	313.357	1.960	50	20	DDGD	
CO[C@H](C(=O)NNc1ccccc1C(=O)O)C(=O)OC(C)(C)C	1599029323	XXSPXYWRHNIGKC-LLVKDONJSA-N	324.333	1.185	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@]2(C(=O)O)CC=CCC2)cc1O	1594346650	AZIIEHYVKAXRHC-INIZCTEOSA-N	318.329	1.273	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C(=O)O)c1csc2ccccc12	1593101301	BSQMYJXJQDRFHP-SSDOTTSWSA-N	307.331	1.377	50	20	DDGD	
COc1cc(C(=O)O)ccc1NC(=O)NNC(=O)CC(C)C	1599373841	IGWHJZFNTFFHLG-UHFFFAOYSA-N	309.322	1.592	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C1CCC[C@H](C(=O)O)C1	1599716910	QIVHKQQSZXDXBL-NSHDSACASA-N	320.345	1.821	50	20	DDGD	
CC(=O)NNC(=O)c1ccccc1I	5378221	RGNNPVQHAVTRCT-UHFFFAOYSA-N	304.087	1.072	50	20	DDGD	
Cc1nn(C)c(Cl)c1C(=O)NNC(=O)c1ccccc1F	14290604	YJSGNOINOCANDU-UHFFFAOYSA-N	310.716	1.596	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2c(C)nc3ccccn23)cc1	14841846	GPKFZCVLZIEYFK-UHFFFAOYSA-N	324.340	1.726	50	20	DDGD	
Cc1cc(O)cc(=O)n1CC(=O)NNc1cccc(Cl)c1	161874033	YKBRYEANZRTNGD-UHFFFAOYSA-N	307.737	1.659	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cc(-c2cccs2)n[nH]1	152244218	QGUDXDSAYHVKSP-UHFFFAOYSA-N	320.374	1.326	50	20	DDGD	
CC(C)CS(=O)(=O)CCC(=O)NNc1ccncc1Cl	154581365	QNKWVFYOLDVSBX-UHFFFAOYSA-N	319.814	1.639	50	20	DDGD	
CCCC[C@@H](CC)C(=O)NNC(=O)CNC(=O)c1ccco1	156850584	PSBRUFHCOJFAII-LLVKDONJSA-N	309.366	1.373	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(N3CCCC3)nn2)nc1	159317915	DYXANOXIJJUIGZ-UHFFFAOYSA-N	314.349	1.237	50	20	DDGD	
COc1ccc(NNC(=O)c2cccc3c2oc(=O)n3C)nc1	159558214	BCLWOWKMWHHXDK-UHFFFAOYSA-N	314.301	1.292	50	20	DDGD	
O=S(=O)(c1ccc(CCl)cc1)N1CCO[C@H](CF)C1	916291827	KFDKGNNASSOINN-LLVKDONJSA-N	307.774	1.784	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1c(C)[nH]c2ccccc12	2003079	RRWUSDYQEVLOKC-UHFFFAOYSA-N	302.403	1.700	50	20	DDGD	
O=C(NCC1(c2cccc(F)c2)CC1)NNc1cccnn1	172391470	HTLCRZMCJWQDIN-UHFFFAOYSA-N	301.325	1.974	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)c2c[nH]nc2C)c1C	109996011	OLUBIUFORJHSMU-UHFFFAOYSA-N	316.361	1.565	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccsc1	119122508	APXPAEBAZGHBKH-UHFFFAOYSA-N	306.303	1.738	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Cc2c(C)noc2C)c1	28581159	MMVRQXKAQAIYBV-UHFFFAOYSA-N	317.345	1.369	50	20	DDGD	
NC(=O)[C@@H](NNC(=O)c1ccc(Cl)cc1F)c1ccccc1	177494771	VCCBQAUPXJOROI-ZDUSSCGKSA-N	321.739	1.940	50	20	DDGD	
O=C(NNS(=O)(=O)c1cc(F)cc(F)c1)NC1CCCC1	65833105	PKIHCFNMDQRAFJ-UHFFFAOYSA-N	319.333	1.400	50	20	DDGD	
O=C(NNc1ncccn1)[C@H]1CCCCN1Cc1ccccc1	121052203	NJMNFWNCPIWBMM-OAHLLOKOSA-N	311.389	1.974	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1cncc(F)c1	124590028	LGJPAXJQOMFFSW-UHFFFAOYSA-N	308.338	1.469	50	20	DDGD	
CC(=O)c1cccc(O[C@@H](C)C(=O)NNc2ncc(F)cn2)c1	123042839	DPJHQFLLVMBXJY-JTQLQIEISA-N	318.308	1.729	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNC(=O)c1ccc(Cl)cc1F	188904057	MUJDDMSQDLAAED-UHFFFAOYSA-N	316.716	1.582	50	20	DDGD	
C[C@H](Oc1cccnc1)C(=O)NNc1nnc(C2CC2)s1	184504854	DLUGVWVYSRONTQ-QMMMGPOBSA-N	305.363	1.721	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1ncccc1O	123537942	PZMBNCQIAQJPJI-UHFFFAOYSA-N	306.347	1.035	50	20	DDGD	
COCCCOCC(=O)NNC(=O)c1ccc(Cl)cc1F	181186415	MBYAMRYJODHQLG-UHFFFAOYSA-N	318.732	1.293	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)o1	123261837	QOGJUMQLHMROCO-RTXFEEFZSA-N	319.361	1.490	50	20	DDGD	
CC(=O)CCCC(=O)NNC(=O)c1cccc(OC(F)F)c1	185122048	KMVFPTXLDHWUDC-UHFFFAOYSA-N	314.288	1.808	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H]2CCC[C@H]2CCO)cc1	188466335	VEXMVRWJHRRKDC-DZGCQCFKSA-N	319.405	1.744	50	20	DDGD	
CSc1nc(C)c(CCC(=O)NNc2cccnn2)c(C)n1	77031123	QFQDPPIDHRBPEH-UHFFFAOYSA-N	318.406	1.681	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc2c(F)cccc2[nH]1	131808388	IHHNLBNKICEERN-UHFFFAOYSA-N	301.281	1.863	50	20	DDGD	
COc1ccc(-n2c(C)cc(C(=O)NNC(C)=O)c2C)cc1	194833381	ZNXNUNDYPZNBPT-UHFFFAOYSA-N	301.346	1.884	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cccc2ncccc12	81027002	BWFPDVLQJMMHQK-UHFFFAOYSA-N	306.325	1.634	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccnc2NC(C)C)o1	84373890	LEOPOJVBGNJVSK-UHFFFAOYSA-N	302.334	1.878	50	20	DDGD	
CSc1ncc(C(=O)NNC(=O)N(C)C)n1-c1ccccc1	194932200	ONQPCBXBECNAAL-UHFFFAOYSA-N	319.390	1.510	50	20	DDGD	
Cc1ccc(-n2ncc(C(=O)NNC(=O)NC3CC3)c2C)cc1	138640223	NNACTGTXKNBKHH-UHFFFAOYSA-N	313.361	1.596	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1cccc2ccc(OC)cc12	133133339	GNLPPOJGWDLPDB-UHFFFAOYSA-N	301.346	1.741	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCCCOC[C@@H]1CCCO1	45162744	SNZRSAUAHDASSY-NSHDSACASA-N	317.386	1.311	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)NCCC1CCC1	131016875	FAJGRMGKBXFGGG-UHFFFAOYSA-N	315.377	1.397	50	20	DDGD	
O=C(Cc1ccccc1[N+](=O)[O-])NNc1nc2ccccn2n1	191913174	QSVBAPVQBSVPMS-UHFFFAOYSA-N	312.289	1.323	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@H](c2ccco2)N(C)C)n1	43137972	KZDAJRXBZYSOSK-JTQLQIEISA-N	320.353	1.007	50	20	DDGD	
CC(=O)NNC(=O)c1cccc(OCc2cn3ccccc3n2)c1	192809321	TVTMUTKBOHOTDA-UHFFFAOYSA-N	324.340	1.694	50	20	DDGD	
O=C(C[C@H]1CSCCN1)NNc1nc(-c2ccccc2)no1	238091528	UHNCBDMTONRQGP-NSHDSACASA-N	319.390	1.275	50	20	DDGD	
C=CCN1C(=O)C(=NNC(=O)c2cnccn2)c2ccccc21	252643168	ZSZLEMAENGDIGA-UHFFFAOYSA-N	307.313	1.143	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(N3CCCC3)nn2)cc1	267031422	TVKBZCILKMEENL-UHFFFAOYSA-N	313.361	1.842	50	20	DDGD	
COCC1(CNC(=O)NNC(=O)CC(C)(C)C)CCOCC1	368178467	KFWAYMQIUGIGSA-UHFFFAOYSA-N	315.414	1.196	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@H]1[C@H]2c3ccccc3C[C@H]21	269041373	XANIOJBVRBCFQT-LZWOXQAQSA-N	301.390	1.949	50	20	DDGD	
CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)Cc1ccc(F)cc1	273232887	RULHNCLBJRRHQO-NSHDSACASA-N	309.385	1.682	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@H]1CCOc2c(F)cccc21	275999120	AAJMVDCNUUCPCX-LBPRGKRZSA-N	307.325	1.780	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C1CCC1)c1ccc([S@](C)=O)cc1	270453698	PPCASWHODGTHST-STFLBKPXSA-N	323.418	1.616	50	20	DDGD	
CC(=O)c1ccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)cc1	274239426	RNZJOYFSSKKPLZ-UHFFFAOYSA-N	321.333	1.384	50	20	DDGD	
CC(=O)N1CCC(CNC(=O)NNc2ncccc2C)CC1	276699613	MWBCVUJGWBBUFW-UHFFFAOYSA-N	305.382	1.275	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@H]2[C@H](N)CCC[C@H]2C1	368484477	YTDIJJBEFCADOO-BFHYXJOUSA-N	324.856	1.938	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(OC2CCCC2)nc1	273053206	BXMJWGHHQRHXGR-UHFFFAOYSA-N	320.418	1.698	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CS[C@H]1CCCOC1	272512324	WCIWWGRZOYOPGV-AWEZNQCLSA-N	322.430	1.597	50	20	DDGD	
CC(C)C[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc[nH]2)CCO1	272161585	XKEYSMILIGNDNV-NEPJUHHUSA-N	308.382	1.552	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)n1	272522513	KBLWTFUJPAOBTF-ZYHUDNBSSA-N	305.382	1.199	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H]2CCO[C@H](C)C2)n1	271985303	KDIOCCCSIFUKCD-VXGBXAGGSA-N	307.398	1.581	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1	371432663	KOCVRGTZQZFKMO-IAQYHMDHSA-N	313.398	1.091	50	20	DDGD	
Cc1nn(C)cc1[C@@H]1CCCN1S(=O)(=O)CBr	373301320	GBEQEJVGDANZBM-JTQLQIEISA-N	322.228	1.548	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2C[C@H]3CCC[C@@H](C3)C2)n1	376561483	IOWDEFFNVVBDFT-STQMWFEESA-N	302.378	1.866	50	20	DDGD	
CC(C)Oc1ncccc1C(=O)NNc1nc2ccccn2n1	807390304	WZPOUGIDDFBGBE-UHFFFAOYSA-N	312.333	1.668	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cn2cc(Cl)cn2)c1	807211863	IFLWIMFISNJYFX-UHFFFAOYSA-N	308.725	1.466	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	294161366	IFFYQFWAXGFGFP-YFKTTZPYSA-N	308.403	1.875	50	20	DDGD	
COc1cc(C)cc(NC(=O)NNC(=O)[C@@H]2CCCO2)c1C	298342500	GNTWJLCZYAOVJY-LBPRGKRZSA-N	307.350	1.644	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(F)c(F)c(F)c1F	295741274	NOAGFKBFNPKIIW-QMMMGPOBSA-N	320.242	1.573	50	20	DDGD	
CC(C)(C(=O)NNC(=O)C1CCC1)c1ccc2c(c1)OCO2	293934565	YDZUVFYEYJGBQB-UHFFFAOYSA-N	304.346	1.640	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)COC(F)F	803226663	JZGRFVXFABCJOW-ZETCQYMHSA-N	322.695	1.494	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)N=c2cc[nH]cc2)cc(O)n1	802036593	WYLYVNUMAIAMTF-UHFFFAOYSA-N	315.333	1.194	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@@H]1C[C@H](c2ccccc2)OC1=O	809754734	GBTQOVCMTRRVMO-QWHCGFSZSA-N	315.304	1.968	50	20	DDGD	
CO[C@H](C)c1nsc(NC(=O)NNC(=O)CC(C)C)n1	809925930	RZHHNQHHCOFWGX-SSDOTTSWSA-N	301.372	1.444	50	20	DDGD	
CC[S@@](=O)c1ccccc1C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	293773496	AWZXGXZJBMWURF-VIBIGMRBSA-N	324.402	1.143	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2coc(C)n2)nc1C	801642779	ZXNIDIITQCFYEL-UHFFFAOYSA-N	305.294	1.015	50	20	DDGD	
CCc1ccc(-c2cc(C(=O)NNC(=O)C=NOC)n[nH]2)cc1	809723667	KXKYSEAHHOMKRN-UHFFFAOYSA-N	315.333	1.032	50	20	DDGD	
Cc1cc(C(=O)NNc2ncccc2F)c(N)c([N+](=O)[O-])c1	804212940	DJRAPPMVXBZEEH-UHFFFAOYSA-N	305.269	1.776	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@@]2(C)CCCOC2)cc1	802122461	PVDVMRLUCXGKFP-INIZCTEOSA-N	320.393	1.722	50	20	DDGD	
CO[C@H](CC(C)C)CS(=O)(=O)NNC(=O)c1ccccc1	817348100	GOKNNWOEIBZSHM-CYBMUJFWSA-N	314.407	1.312	50	20	DDGD	
Cn1cc(C=NNC(=O)N=c2cc[nH]cc2)c(C(C)(C)C)n1	815000114	GRWZINFMWGQDRQ-UHFFFAOYSA-N	300.366	1.690	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1cc(C(C)=O)c[nH]1	819710296	FAFJSCVFUVIQFP-UHFFFAOYSA-N	319.292	1.900	50	20	DDGD	
CC(=NNC(=O)Nc1ccc2c(c1)OCO2)c1csnn1	814992005	DMIPVOOALRPUID-UHFFFAOYSA-N	305.319	1.813	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NNc1cc(Cl)nc(Cl)c1	819747646	VMPJQBYUPOJJFC-SSDOTTSWSA-N	320.180	1.669	50	20	DDGD	
CCC[C@@H]1C[C@H]1C(=O)OCC(=O)NNC(=O)c1cccs1	812641031	HGMPMHWFNILJCH-NXEZZACHSA-N	310.375	1.489	50	20	DDGD	
CSc1nc(C(=O)NNC(=O)CC2CC2)c2ccccn12	819114672	QEBUCMPYCOUVET-UHFFFAOYSA-N	304.375	1.617	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)COc2ccc(OC)cc2)C1	819806863	ZQEGFTRXXPOXAF-UHFFFAOYSA-N	320.345	1.519	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@@H]1Cc2ccccc2O1	727277357	LQCBQAWHUJFYOX-ZDUSSCGKSA-N	305.403	1.286	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C2[C@H]3CCC[C@H]23)o1	820202211	FIDQZWRLRFPYJY-YUMQZZPRSA-N	317.353	1.467	50	20	DDGD	
CC(C)(C)OC(=O)NN=Cc1ccc(F)c(S(N)(=O)=O)c1	495942525	WPGFZRUBDIPHIY-UHFFFAOYSA-N	317.342	1.332	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NNc1ncccc1F	495628049	BVIYIIHKXOJJAR-SNVBAGLBSA-N	310.329	1.673	50	20	DDGD	
CCC1(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CCC1	820945863	ZEHGLXBRCKOXMT-UHFFFAOYSA-N	314.349	1.208	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1C	490724891	CCIJAQAQLKWAMD-MDWZMJQESA-N	304.346	1.682	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(OC)c(NC(N)=O)c1	491174175	GMQATICGGAHFAI-CMDGGOBGSA-N	304.306	1.568	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1cc(C(C)=O)ccc1Cl	493648678	ZWEJJPAQFDVPKP-UHFFFAOYSA-N	306.727	1.092	50	20	DDGD	
CC(C)OC1CCN(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CC1	827288469	MPLZRYPMKQWABG-DGCLKSJQSA-N	313.398	1.042	50	20	DDGD	
Cc1ccc(Br)c(C(=O)NN(C)[C@H](C)CO)n1	823384455	LFHVSRPEGLYKLZ-MRVPVSSYSA-N	302.172	1.110	50	20	DDGD	
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ncncc1F	495638957	HYXPILQKZWBXET-SECBINFHSA-N	313.333	1.362	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)cc1F)c1nc2c(s1)CCC2	585046921	XEZVFPYAASUMRR-VIFPVBQESA-N	320.198	1.302	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCn3c2nc2ccccc23)cn1	491011839	QCKMNGHTQXDPAI-JYRVWZFOSA-N	318.340	1.724	50	20	DDGD	
CC[C@@H](C)c1ccccc1OCC(=O)N1CC[C@@H](B(O)O)C1	585068571	DRZVDUBHEZXTHR-CHWSQXEVSA-N	305.183	1.654	50	20	DDGD	
Cc1nn(CC(F)F)c(C)c1C(=O)NNC(=O)OC(C)(C)C	495433200	DEEKDOKPDRJXAQ-UHFFFAOYSA-N	318.324	1.935	50	20	DDGD	
COC(=O)Cn1ccc(NC(=O)[C@@]2(C)C[C@@H]2Br)n1	906532154	CACBZCAAPGENAE-CPCISQLKSA-N	316.155	1.168	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCCC[C@H]2OC(F)F)c(F)c1	585042471	RMALRPWBIGBANN-CHWSQXEVSA-N	317.116	1.146	50	20	DDGD	
O=C(C[C@@H]1CC[C@H]2C[C@@H]12)NNC(=O)c1ccc2c(c1)OCCO2	822293336	UKXPSUWLKWXJQU-GMXVVIOVSA-N	316.357	1.655	50	20	DDGD	
CCCCO[C@H]1C[C@@H](NCC(=O)NNC(=O)C(C)C)C1(C)C	829681580	YRPSDNFBKVJFIV-OLZOCXBDSA-N	313.442	1.363	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)s1	730576314	OZRKMUCALIONOC-MRVPVSSYSA-N	320.823	1.676	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)C(=O)O)c1C	738067897	OEFTXTBRLKDWQW-GYBQTFJISA-N	319.361	1.248	50	20	DDGD	
COC(=O)CC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	905209754	CZNFDCPDHZUKIU-MRVPVSSYSA-N	310.375	1.197	50	20	DDGD	
COC[C@H](OC)C(=O)NNc1ccc(OC(F)(F)F)cc1	830791391	IHULLLCFDNOJJU-JTQLQIEISA-N	308.256	1.690	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)[C@@H]1C[C@H]1[N+](=O)[O-]	839713851	XEAIRUUKHNLDQE-HZGVNTEJSA-N	307.203	1.953	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCC(=O)NCC(F)F	491101446	DXNOXFCGOBCQPN-BJMVGYQFSA-N	311.263	1.230	50	20	DDGD	
CN(CCNC(=O)/C(C#N)=C/c1cnn(C)c1)C1CCCC1	491138492	ZDQYUNYBXYVGFE-NTEUORMPSA-N	301.394	1.318	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1	732133266	UULBJGSFWVZAPG-LLVKDONJSA-N	316.317	1.878	50	20	DDGD	
CN(NC(=O)[C@]1(Cl)C[C@H]2CC[C@H]1O2)C(=O)OC(C)(C)C	909937179	CGYWGDOQVOFCFE-KKFJDGPESA-N	304.774	1.813	50	20	DDGD	
CC(C)[C@@H](NC(=O)O)C(=O)NNc1ccc(C(F)(F)F)nn1	833468788	RFKCXWFSUOOFBR-MRVPVSSYSA-N	321.259	1.231	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1F	839401124	BBPLLJXCCFDTEY-NSHDSACASA-N	311.269	1.064	50	20	DDGD	
O=C(NNc1ccncn1)N[C@@H]1CC[C@@H]2SCCS[C@@H]21	836378458	HSLVYQKLNASLCS-WCABBAIRSA-N	311.436	1.482	50	20	DDGD	
CC[C@@H]1C[C@H]1CNC(=O)NNC(=O)Cc1cn2ccccc2n1	836591208	VAYNGQTUXQJZGB-NEPJUHHUSA-N	315.377	1.253	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1cnc2c(c1)CCCC2	836503615	ZCYAWHKNTDIELX-AWEZNQCLSA-N	318.377	1.682	50	20	DDGD	
Cc1cc(C#N)cc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	831855578	WZMZHMKCKZLIAJ-MFKMUULPSA-N	302.334	1.444	50	20	DDGD	
Cn1c(=NNC(=O)[C@@H](O)c2cccnc2)sc2ccccc21	731868027	IOJSNLKYQGUCHQ-ZDUSSCGKSA-N	314.370	1.300	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CSC[C@@H](C)C(=O)O)cc1	738513972	YYMDKDYIBMAOQR-SNVBAGLBSA-N	310.375	1.210	50	20	DDGD	
CCOc1ccc(C(=O)NN=Cc2ccc(CO)o2)cc1OC	739413276	NVIPZTMKXUPQRT-UHFFFAOYSA-N	318.329	1.943	50	20	DDGD	
Cc1onc(-c2cccc(F)c2)c1C(=O)N1CC[C@@H](B(O)O)C1	902551808	OWCYWKUEJPUMJK-LLVKDONJSA-N	318.113	1.478	50	20	DDGD	
C=C(CBr)CN1CCC[C@]2(CCS(=O)(=O)C2)C1	831915627	OOUASMOBTFHSNF-LBPRGKRZSA-N	322.268	1.838	50	20	DDGD	
C=CC[C@@H](NC(=O)NNC(=O)[C@H]1CCCCO1)c1ccncc1	838478133	TULYIIFUKBJCOB-ZIAGYGMSSA-N	318.377	1.598	50	20	DDGD	
C#CCOc1ccc(C(C)=NNC(=O)C(=O)NC(C)C)cc1	733203653	UMJFVLSXSBISIA-UHFFFAOYSA-N	301.346	1.063	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1ccnc(C2CC2)n1	732640496	HIWUJYNUFZZVTE-UHFFFAOYSA-N	314.320	1.497	50	20	DDGD	
CC[C@H](CNC(=O)c1cccc(B(O)O)c1)CC(F)(F)F	585002161	OVUPAXRLTYNWIY-VIFPVBQESA-N	303.089	1.075	50	20	DDGD	
NC(=O)COc1cccc(NC(=O)NNc2ccccc2)c1	734268040	VHHITDNSCMQZOB-UHFFFAOYSA-N	300.318	1.699	50	20	DDGD	
CCOCC(=O)NN=Cc1cc(OC)c(OC)cc1[N+](=O)[O-]	731154138	VOFQPLPXNHNAQV-UHFFFAOYSA-N	311.294	1.099	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCCO1)c1ccc2c(c1)OCC(=O)N2	834984948	FEAOEPPNPJFZBQ-ZDUSSCGKSA-N	317.345	1.427	50	20	DDGD	
O=C(O)NCCCC(=O)NNC(=O)c1cccc2ncccc12	739956633	ISTBSEQYNDLGOZ-UHFFFAOYSA-N	316.317	1.044	50	20	DDGD	
CN([C@@H]1CCN(c2ccccc2F)C1=O)S(=O)(=O)CCl	830479981	MHZOZNIRTNOZBJ-LLVKDONJSA-N	320.773	1.389	50	20	DDGD	
COC1(CNC(=O)NNC(=O)[C@@H]2CCCCO2)CCCCC1	836429063	IYZQWMHHCVFYSM-LBPRGKRZSA-N	313.398	1.235	50	20	DDGD	
CCc1ccc([C@H]2CCN(CC(=O)NNC(=O)C(C)C)C2)cc1	830014648	XUDVIEZZGYLKBY-INIZCTEOSA-N	317.433	1.842	50	20	DDGD	
CC(C)(C#N)CNC(=O)NNC(=O)Nc1cc(F)cc(F)c1	838542780	NRFZMXQNBBFMLF-UHFFFAOYSA-N	311.292	1.850	50	20	DDGD	
CCN(CC)CCOc1ccc(C(=O)NN(C)C[C@@H](C)O)cc1	910170685	PPASPFXXAFXBOK-CQSZACIVSA-N	323.437	1.365	50	20	DDGD	
CCOCCC1(C(=O)NNC(=O)[C@H]2CCCCO2)CCCC1	833778903	LDBXOIQTGDSKMV-CYBMUJFWSA-N	312.410	1.690	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNc1nccn(C)c1=O	747946314	YJXSVOVLWJDHBR-SECBINFHSA-N	322.752	1.344	50	20	DDGD	
CC1CCN(C[C@@H](C)C(=O)NN=Cc2cccc(O)c2O)CC1	916362788	OPWSSGWNXXUDBZ-CYBMUJFWSA-N	319.405	1.916	50	20	DDGD	
N#CCN1CCN(S(=O)(=O)c2ccc(CCl)cc2)CC1	914037755	ZNFZAQCLMVXDLX-UHFFFAOYSA-N	313.810	1.255	50	20	DDGD	
COc1ccnc(NNC(=O)NCCOc2ccccc2F)n1	915890111	VFFVBFIZNUNAGE-UHFFFAOYSA-N	321.312	1.329	50	20	DDGD	
CC(=NNC(=O)c1nn(C)c(=O)c2ccccc12)c1ccncc1	916316054	KIQZAWSLYFDFKK-UHFFFAOYSA-N	321.340	1.483	50	20	DDGD	
Cc1ccc2c(c1)CC[C@H](C(=O)NNC(=O)[C@H]1CCO[C@H]1C)O2	843654646	IYQGIFJLCHPFPO-CORIIIEPSA-N	318.373	1.261	50	20	DDGD	
CCO[C@@H](CC)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	744862934	UXGWHAZQOZCTMM-ZDUSSCGKSA-N	322.361	1.114	50	20	DDGD	
CC(C)NC(=O)CN(C)CC(=O)NNc1cccc(Cl)c1	849953329	KBZCNMRHSGRMGC-UHFFFAOYSA-N	312.801	1.240	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C=C2CCCC2)c1	917564259	ACPVUPKQTHGBDE-UHFFFAOYSA-N	304.346	1.965	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2c(C)noc2C)n1	915915227	VRTJXEGRUGSCMP-UHFFFAOYSA-N	319.390	1.941	50	20	DDGD	
CS[C@H]1CC[C@H](NC(=O)NNC(=O)Cc2cccnc2)C1	743589420	UPSKUUJLEKORIM-RYUDHWBXSA-N	308.407	1.239	50	20	DDGD	
O=C(CCCc1ccc(F)cc1)NNC(=O)Cc1cc[nH]n1	847451300	CUWUWAIWHRKGGO-UHFFFAOYSA-N	304.325	1.262	50	20	DDGD	
COc1cc(C)c(C=NNC(=O)[C@@H]2CCO[C@@H]2C)cc1OC	842556448	SRAGLFQULZDXHB-DGCLKSJQSA-N	306.362	1.887	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1cccc2c1CCNC2	841306529	ZWEWJCHTOMFRTM-UHFFFAOYSA-N	313.361	1.137	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)c2ccc(C#N)cc2)c(O)n1	746184851	HXYCNPQRTIBHFL-UHFFFAOYSA-N	310.313	1.351	50	20	DDGD	
COc1cc2c(cc1OC)C(=NNC(=O)[C@@H]1CCO[C@H]1C)CC2	842561959	UGRTWHJJPXQLIL-CMPLNLGQSA-N	318.373	1.895	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc(N(C)C)c(F)c1	740762113	ABQFTCAMMHUVTF-UHFFFAOYSA-N	322.384	1.647	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)C(F)(F)C(F)F	848321450	SVWQTOWBPCBOLM-UHFFFAOYSA-N	317.040	1.583	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN(Cc2ccccc2)C1)C1CCCC1	847336426	JPXRAVLPTCPUFK-INIZCTEOSA-N	315.417	1.846	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1	848580068	IJRKEDCVZGKRCB-UHFFFAOYSA-N	317.248	1.370	50	20	DDGD	
Cc1c(NNC(=O)C(=O)Nc2ccccc2)cccc1[N+](=O)[O-]	748670895	QRQBUVCXCKIRAH-UHFFFAOYSA-N	314.301	1.985	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cc(F)cc([N+](=O)[O-])c1	747324761	NCEJSOGMDVYATL-UHFFFAOYSA-N	318.264	1.133	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCC(C1CC1)C1CC1	743588508	AVZQLBDRZQUBGA-UHFFFAOYSA-N	302.378	1.391	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=C1CCOc2c(F)ccc(F)c21	842560354	GBCUWGWTJWYZML-RKDXNWHRSA-N	310.300	1.993	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc(Cl)nc(C2CC2)c1	847461256	IJERILHXOJFHCW-UHFFFAOYSA-N	319.752	1.719	50	20	DDGD	
NC[C@@H]1CC[C@H](NC(=O)NNC(=O)c2ccc(Cl)cc2)C1	842010051	IKTGEVXGNDFMBI-SKDRFNHKSA-N	310.785	1.411	50	20	DDGD	
CC(=NNC(=O)[C@H]1COc2ccccc2O1)c1ccn(C)n1	841605645	ROYZAOGBIIONSZ-CQSZACIVSA-N	300.318	1.100	50	20	DDGD	
NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ccccc1OC(F)(F)F	847767658	NVXXNPDKCKVURN-SFYZADRCSA-N	317.267	1.540	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)N[C@H](C)CCN)cc2C1	841967858	QPJHRPOXYAJBPZ-VHSXEESVSA-N	324.450	1.554	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@]23CCC[C@@H]2C3)c1	929269382	UNVOFNZEXHOZJZ-BDJLRTHQSA-N	304.346	1.655	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Nc2cnc(C)nc2)c1	756372705	RUYASMPPDRTKAT-UHFFFAOYSA-N	315.333	1.325	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@@H]2CCn3cncc3C2)o1	750856264	GWOLNWNOKUNVAO-SNVBAGLBSA-N	314.349	1.572	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccn(-c2ccc(Cl)cc2)n1	756948098	VYDLMEZVZSWFLM-UHFFFAOYSA-N	307.741	1.490	50	20	DDGD	
Cc1ccc(CCCCC(=O)NNC(=O)c2cc[nH]n2)cc1	855359141	GZQJKKGPHOHEFI-UHFFFAOYSA-N	300.362	1.892	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)N[C@H]1C[C@H](c2ccccc2F)C1	858417927	KBNCLEPTLSFLET-HOMQSWHASA-N	317.324	1.439	50	20	DDGD	
NC(=O)NN=C1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1	752713006	IKOLYTJPVQLBFX-LLVKDONJSA-N	314.345	1.640	50	20	DDGD	
COc1nccc(C(=O)NNC(=O)c2cc3c(s2)CCC3)n1	929280705	YYHSGEMPUZOGHX-UHFFFAOYSA-N	318.358	1.110	50	20	DDGD	
CN1CCC[C@@H]2CN(S(=O)(=O)CC(C)(C)CCl)CC[C@@H]21	866972288	PCCMHFPUXIQBMS-OLZOCXBDSA-N	322.902	1.997	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)C(F)(F)c2nccs2)n1	757595916	JBYVADQSLJRKTK-UHFFFAOYSA-N	320.712	1.404	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)N[C@H]1CCc2n[nH]cc2C1	852214426	XXAJFRPIIKVJHJ-JTQLQIEISA-N	306.757	1.642	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCCn2cnnc2)cc1	854739146	ZTAMZKMKBNOKSX-NTEUORMPSA-N	311.345	1.400	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C(=O)NCC2CC2)c1C	854186840	ZAWBBMDSCXNWNG-UHFFFAOYSA-N	320.418	1.147	50	20	DDGD	
Cn1cc(CCNC(=O)NC[C@]2(C)C[C@H]2Br)cn1	856825497	HQXSNPJVANDKFM-PWSUYJOCSA-N	315.215	1.435	50	20	DDGD	
O=C(NNc1nc2ccc(Cl)cc2s1)[C@@H]1COCCO1	856234200	PHWLYLZFOVPPQF-VIFPVBQESA-N	313.766	1.808	50	20	DDGD	
CCC(=NNC(=O)Cc1ccccc1OC)c1nccn1C	755660532	GLEFGSCRHPREIC-UHFFFAOYSA-N	300.362	1.902	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C(C)CCC(=O)OC	756871641	UMFCMEMWSYSAIY-UHFFFAOYSA-N	322.361	1.909	50	20	DDGD	
COCc1ncsc1C(=O)NNC(=S)NCC1CCC1	855090346	VJXQWXIZZKWJHD-UHFFFAOYSA-N	314.436	1.199	50	20	DDGD	
C[C@]1(CNC(=O)c2ccc(C(N)=O)s2)C[C@H]1Br	857400942	JTWYKWFMSOPZPY-LDYMZIIASA-N	317.208	1.750	50	20	DDGD	
CCN1CCCC[C@@H]1CNC(=O)NNC(=O)c1cccc(F)n1	852090070	QRRSZCYJACHHSL-LLVKDONJSA-N	323.372	1.039	50	20	DDGD	
C[C@H](Cn1ccnc1)NC(=O)NC[C@@]1(C)C[C@H]1Br	856719357	QLKIAAUDEMIUON-CKYFFXLPSA-N	315.215	1.744	50	20	DDGD	
Cc1nc(C(=O)NCCCSC#N)nn1-c1ccccc1	854362216	FZCOBDAMCDCQKW-UHFFFAOYSA-N	301.375	1.910	50	20	DDGD	
NC1(CNC(=O)NNC(=O)CCOc2ccccc2)CCCC1	851671586	PKYHWABJUNMEJZ-UHFFFAOYSA-N	320.393	1.057	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cc([C@H]2CCCO2)nn1C	931138551	KZHFPPKPYMLICN-GFCCVEGCSA-N	319.365	1.228	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)C(C)(C)C	855831570	XCKOYJRYALRIRP-LLVKDONJSA-N	313.442	1.759	50	20	DDGD	
Cn1ccc(COC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1=O	754539683	HXIOSQXTGVOFKI-ZSOIEALJSA-N	310.309	1.741	50	20	DDGD	
O=C(NN=C1CCc2c(F)cc(F)cc21)C(=O)N1CCCC1	752727669	NAQRYCYTPZLRMF-UHFFFAOYSA-N	307.300	1.354	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@@]12CCC[C@@H]1C2	935425505	NBSTUAYYGHYTIY-MEBBXXQBSA-N	324.402	1.732	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2cc(C(F)(F)F)ccc2F)CN1	754144312	XMPKLIQERQZCOW-SSDOTTSWSA-N	319.258	1.814	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=C2CCCc3ccc(Cl)cc32)N1	863147956	PRBZUMIYVAZQNV-ZDUSSCGKSA-N	305.765	1.775	50	20	DDGD	
CN(C)CCCS(=O)(=O)NC[C@@]1(C)C[C@H]1Br	867548852	GUUYXWRZRIBBDC-NXEZZACHSA-N	313.261	1.031	50	20	DDGD	
Cc1nn2c(C=NNC(=O)c3ccc(O)cc3)c(C)nc2s1	765548376	JCRAEDXAXVPWMD-UHFFFAOYSA-N	315.358	1.877	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc2ccn(C)c2c1	865016337	DRICIGZKKDBDKB-UHFFFAOYSA-N	304.350	1.159	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1cn[nH]c1)N1CCc2ccccc21	862470043	XTPYHLZNZOVTPB-LLVKDONJSA-N	313.361	1.012	50	20	DDGD	
C[C@H](CN1CCCCCC1)C(=O)NN=C1CCN2CCC[C@H]12	765568756	GGISOPWWJHKXJI-GDBMZVCRSA-N	306.454	1.839	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C1CCN2CCC[C@H]12	765555243	IVJXBJHXWIVRML-CYBMUJFWSA-N	303.362	1.414	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2ccc(C)c3c2CCC3)n[nH]1	869017331	KLFJWICPUQQESM-UHFFFAOYSA-N	312.373	1.519	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(S)n1)c1occc1C	767762915	BTAPNNFAOUJZOP-UHFFFAOYSA-N	306.347	1.455	50	20	DDGD	
O=C(C=C1CCCC1)NNc1nccc(N2CCOCC2)n1	762855968	KQGNTDJEOAIEGI-UHFFFAOYSA-N	303.366	1.257	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2ccc(N3CCCCC3)o2)n[nH]1	767411346	RTLMQABVSGRAIH-UHFFFAOYSA-N	315.377	1.994	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2CCCC2)cc1Cl	764077022	KDNXORBGDZYXNP-UHFFFAOYSA-N	323.780	1.925	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)C(=O)c1ccc(Cl)s1	760812196	JMAKXBGLBKWXNM-UHFFFAOYSA-N	314.672	1.684	50	20	DDGD	
C=CCOc1cccnc1C(=O)NNc1nccnc1OC	764465176	KDXLEKLQXZCRQC-UHFFFAOYSA-N	301.306	1.202	50	20	DDGD	
O=C(CC(C1CCC1)C1CCC1)NNC(=O)c1ccnnc1	862022192	QEKPEGMFCJXWSY-UHFFFAOYSA-N	302.378	1.844	50	20	DDGD	
O=C(NN=Cc1cccc(O)c1O)c1ccc2c(c1)OCCO2	767489155	FILBDRXZLUTQIW-UHFFFAOYSA-N	314.297	1.633	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H]2COCCN2CC(F)(F)F)n1	862520028	BRLBEIRKXQAXIN-SNVBAGLBSA-N	318.299	1.096	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@H](F)c1ccccc1	769007172	HKPZHQKQECKKAE-SNVBAGLBSA-N	301.412	1.556	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2O)CCC1=O	763960010	VNKCSDDVJDLZNS-RKDXNWHRSA-N	324.764	1.812	50	20	DDGD	
CC(C)CCn1ccc(NC(=O)C(=O)NNC(=O)CC(C)C)n1	763883263	VPEMGDBWOWXCKO-UHFFFAOYSA-N	323.397	1.061	50	20	DDGD	
COCC(=O)NNC(=S)Nc1cc(OC)ccc1Cl	761836450	BMAOQGORSUICCJ-UHFFFAOYSA-N	303.771	1.313	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2Cc3ccccc3CN2)C[C@@H]1Br	1118810585	VNWUWQACGAELRD-KCQAQPDRSA-N	323.234	1.991	50	20	DDGD	
Cc1cccc([C@@H]2CCCN2CC(=O)NNC(=O)C(C)(C)C)n1	767003263	OMJJIIIBBLBYHI-AWEZNQCLSA-N	318.421	1.720	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)c3cccnn3)cc2C1	1119282754	JLFFBOXLWZFNJE-SECBINFHSA-N	316.386	1.738	50	20	DDGD	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)C2	875088083	WOELHYJPCHGOJB-PGUXBMHVSA-N	305.382	1.569	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)COC1(C)CCC1	773258353	UENZSBWZRYYDGX-NSHDSACASA-N	324.352	1.700	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1nccc2ccccc12	772053750	JALLPKKEWQHKPZ-SNVBAGLBSA-N	315.329	1.338	50	20	DDGD	
COc1ccc(C=NNC(=O)c2sc(N)nc2C)cc1F	874119278	BDICZDSIPPEZBJ-UHFFFAOYSA-N	308.338	1.945	50	20	DDGD	
COCCO[C@H]1COCC[C@H]1NC(=O)NNc1ccccc1	777279096	NAXMIGFJNYIKLY-KGLIPLIRSA-N	309.366	1.133	50	20	DDGD	
CC(C)c1ncc(Cl)c(C(=O)NNc2nccn(C)c2=O)n1	1116193264	RHKOKMHQKIIYHN-UHFFFAOYSA-N	322.756	1.104	50	20	DDGD	
C[C@@H](O)c1ncc(C=NNC(=O)c2ccc3c(c2)OCO3)s1	772999595	RZKZCZOHKDZVIW-MRVPVSSYSA-N	319.342	1.689	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc(-c2ccccc2F)on1	1115840691	IDQJHYWTNOPHTF-UHFFFAOYSA-N	322.365	1.998	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(NC(=O)C2CC2)cc1	878111964	LNJIKZDQUVVDEX-UHFFFAOYSA-N	306.366	1.650	50	20	DDGD	
CSc1cc(CNC(=O)NNC(=O)c2ccccc2)ccn1	771913093	ZHJCQIVYROQLPE-UHFFFAOYSA-N	316.386	1.948	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1	874247371	RIXUPOYJJMNVED-JTQLQIEISA-N	319.283	1.478	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cc(O)nc(C2CC2)c1	771739830	BMYFXPPTSSKZFS-UHFFFAOYSA-N	303.240	1.378	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](F)Cc1ccccc1	772242491	SVMVNKGFLSHIGM-PWSUYJOCSA-N	310.325	1.056	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CCCCc1cnn[nH]1	772839443	CHWRBGVXDXSBRQ-UHFFFAOYSA-N	303.370	1.574	50	20	DDGD	
Cc1cc(C=NNC(=O)C(N)=O)c(C)n1-c1ccccc1F	777422193	VXFSTUQHQFIDNF-UHFFFAOYSA-N	302.309	1.169	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@H]1C[C@@H]1c1cccc(F)c1	883224548	OALGHRCCUQZCDA-KGLIPLIRSA-N	321.352	1.439	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H]2c3c[nH]nc3CC[C@@H]2C)c1	880826235	MCSXZURAOVIDRZ-TVQRCGJNSA-N	318.402	1.907	50	20	DDGD	
O=S(=O)(CCCCl)N[C@H](CO)c1c(F)cccc1F	881922054	BVZYDVHHVSNCTJ-SNVBAGLBSA-N	313.753	1.547	50	20	DDGD	
CC(C)(O)C(=O)NN=C1C(=O)Nc2c(Cl)cc(Cl)cc21	785458059	MQLQYQIMCYCUCV-UHFFFAOYSA-N	316.144	1.537	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)[C@H](C)C1	783832805	VCISUEIKGQYYFD-GMTAPVOTSA-N	301.412	1.285	50	20	DDGD	
Cc1ccc(C(N)=O)cc1NC(=O)NNc1ncncc1Cl	782035076	WIGCOBKNTMVEBY-UHFFFAOYSA-N	320.740	1.686	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)n[nH]1	781709933	NQUVWZNWVGQCQX-DGCLKSJQSA-N	308.382	1.320	50	20	DDGD	
C[C@H]1CCC[C@H](C(=O)NNc2ccc(-n3ccnc3)nn2)C1	788177011	FYQGWPDXVVPLHT-RYUDHWBXSA-N	300.366	1.932	50	20	DDGD	
C[C@H]1CC[C@H](NC(=O)NNc2cccc(S(C)(=O)=O)c2)C1	780794638	OVGGVZSPDOZNRY-QWRGUYRKSA-N	311.407	1.905	50	20	DDGD	
O=C(CN1CSCCSC1)NNC(=O)c1ccccc1	899916448	UYZHTRCNPPUCTC-UHFFFAOYSA-N	311.432	1.145	50	20	DDGD	
CC(C)(O)CCC(=O)NNC(=O)Cc1c[nH]c2ccccc12	786662830	GYEGVSGHOIMWNG-UHFFFAOYSA-N	303.362	1.409	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)NCc2ccc(Cl)cc2)co1	787434848	ZYVXPVPVTZUWCE-UHFFFAOYSA-N	308.725	1.781	50	20	DDGD	
Cc1ccncc1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	785889938	LDIUVQNOHYMRTO-NSHDSACASA-N	307.350	1.129	50	20	DDGD	
Cc1cccc(NNC(=O)c2cc([C@H]3CCCN3C)[nH]n2)n1	899127123	CNVZYYQZRNCULH-CYBMUJFWSA-N	300.366	1.637	50	20	DDGD	
COc1ccc(NNC(=O)c2cn(C)nc2-c2ccncc2)nc1	781520868	HPFLVHWQHPXDMN-UHFFFAOYSA-N	324.344	1.643	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H](C)n1nnc(-c2ccccc2)n1	791225638	PPIMMFUZMLLOOO-LBPRGKRZSA-N	323.360	1.748	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@@H]1CCOc2c(F)cccc21	896782378	AAJMVDCNUUCPCX-GFCCVEGCSA-N	307.325	1.780	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1ccsc1Cl	790148901	HBGGZGRPTJBJOP-SNVBAGLBSA-N	315.826	1.820	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cnc3cc(C)nn3c2C)n1	794079770	BFZYYGGDEUNDFJ-UHFFFAOYSA-N	324.344	1.124	50	20	DDGD	
CCc1ccccc1OCCC(=O)NNC(=O)c1cccn1C	794829467	XTIYIAVOAPOKRE-UHFFFAOYSA-N	315.373	1.818	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N(C)c2nccn2C)cc(C#N)n1C	791248688	QQFKFNXTSOVKCS-NTUHNPAUSA-N	308.345	1.509	50	20	DDGD	
COc1ccccc1C(=O)NN=C1CC(=O)N2CCCC[C@H]12	799479780	GFSNYXLVUJJHKW-CYBMUJFWSA-N	301.346	1.566	50	20	DDGD	
COc1ccc(C=NNC(=O)CN(C)C)c(Br)c1	794901775	HRKWPJYWDKQUPO-UHFFFAOYSA-N	314.183	1.469	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H](OC)[C@H](C)CC	794865439	XZLBWTQNGGYUJJ-MLGOLLRUSA-N	322.405	1.836	50	20	DDGD	
O=C(NNC(=O)C1CCC(NC(=O)C2CC2)CC1)C1CCC1	793476898	GIDNVEAVWGEPFV-UHFFFAOYSA-N	307.394	1.019	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Cc1coc2ccccc12	796140589	LOCIZTVOKVAFKI-UHFFFAOYSA-N	309.325	1.760	50	20	DDGD	
CN(CCC(=O)NNc1nc2ccccn2n1)C1CCCCC1	791146562	QHAAHIXFRYOIGZ-UHFFFAOYSA-N	316.409	1.827	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)c1ccc(OC)cc1)C(C)C	1319244488	PDSYEGMSPJFVLY-CYBMUJFWSA-N	309.366	1.310	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(C)nc(O)c2)c([N+](=O)[O-])c1	1319864399	URUNULVMISWXCB-UHFFFAOYSA-N	318.289	1.769	50	20	DDGD	
CC1=CCN(C(=O)C(=O)NC[C@@]2(C)C[C@@H]2Br)CC1	1328546870	FTHNXCQZZVVKIX-GXFFZTMASA-N	315.211	1.455	50	20	DDGD	
CN(NC(=O)Nc1cc(N2CCOC2=O)ccc1F)C1CC1	1326665368	ODHKCCSLQZDBIM-UHFFFAOYSA-N	308.313	1.913	50	20	DDGD	
Cn1ccc(NNC(=O)c2ccc(C(=O)OC(C)(C)C)nc2)n1	1326571811	BXCSSFPNOMRKKP-UHFFFAOYSA-N	317.349	1.527	50	20	DDGD	
O=C(NN=Cc1cnc([C@H]2CCCO2)s1)c1cccnn1	1330908335	NOTNELSAYZGMFI-LLVKDONJSA-N	303.347	1.549	50	20	DDGD	
CC(=O)N(c1nc(/C=C(/C#N)S(C)(=O)=O)cs1)C1CC1	1339112166	OPUBTUPGZUICEI-WZUFQYTHSA-N	311.388	1.567	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1COc2c(F)cc(F)cc2C1	1263762127	VSIIQPCEBVPYAF-VIFPVBQESA-N	315.276	1.181	50	20	DDGD	
COc1cc(NNC(=O)[C@@H]2CN3CCN2C[C@@H]3C)ccc1Cl	1348577662	RXXKDMNSRFKUKY-GWCFXTLKSA-N	324.812	1.180	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1csc(Nc2ccccn2)n1	1348955884	RKVRMCITTPQVKH-SECBINFHSA-N	307.379	1.239	50	20	DDGD	
C[S@](=O)c1ccc(C=NNC(=O)N=c2cc[nH]cc2)cc1	1347643789	UUWFAXQCGJPXLO-NRFANRHFSA-N	302.359	1.397	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1nc2c(s1)COCC2	1261358992	QBUDAWGYDFLPPY-UHFFFAOYSA-N	318.358	1.298	50	20	DDGD	
CC(C)(C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1CC1	1609073105	VNJGLGSJAMLCRK-UHFFFAOYSA-N	321.772	1.794	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)N[C@H]1CCn2ccnc21	1601557093	QUFUVQLHGFCKLY-NSHDSACASA-N	319.296	1.492	50	20	DDGD	
O=C(Cc1ccc(O)c(O)c1)NNc1ccc(C(=O)O)cc1F	1608363622	RSTNJKRIWMJTEI-UHFFFAOYSA-N	320.276	1.621	50	20	DDGD	
C[C@H](Oc1ccccn1)C(=O)NNc1cccc(C(=O)O)c1	1604448569	BGYQMEPRPLLCAP-JTQLQIEISA-N	301.302	1.690	50	20	DDGD	
O=C(O)Cc1occc1C(=O)N1C[C@H]2[C@H](Br)[C@H]2C1	1602157385	WCMJZRSQQOHVOV-VROVMSAKSA-N	314.135	1.372	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@H](O)c2ccccc2)c1F	1602446649	GCPPFPUQKFOTOT-ZDUSSCGKSA-N	304.277	1.701	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CCC[C@@H](C(=O)O)C2)cc1	1607798429	MHGXOZVVIZKRPI-LLVKDONJSA-N	317.345	1.681	50	20	DDGD	
NC[C@H]1CCCC[C@@H]1NC(=O)NNc1ccc(F)c(C(=O)O)c1	1608254498	AEHASZZUVCZIOM-RNCFNFMXSA-N	324.356	1.668	50	20	DDGD	
Cn1cc(C(C)(C)C(=O)NNc2ccccc2C(=O)O)cn1	1610600608	BQYBRAUWOGVDSQ-UHFFFAOYSA-N	302.334	1.539	50	20	DDGD	
Cc1cc(C=NNC(=O)c2ccc3c(c2)OCO3)[nH]c1C(=O)O	1610459717	STVLHELCGGWHHU-UHFFFAOYSA-N	315.285	1.514	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@@H]1C=NNC(=O)c1ccon1	1553288187	PZMHSCLHSYKCBO-MFKMUULPSA-N	303.322	1.292	50	20	DDGD	
C[C@@H]1CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C[C@H]1C(=O)O	1589337214	SWXXAUYLFBCFDG-UHZMKECTSA-N	314.341	1.868	50	20	DDGD	
Nc1cccc(CC(=O)NNC(=O)[C@H]2CCCCO2)c1Cl	1580455228	OTELIXUSOFWBTB-LLVKDONJSA-N	311.769	1.181	50	20	DDGD	
COCC(=O)N1CC2(CCCN2C(=O)[C@@](C)(Cl)CCl)C1	1845169868	LNKVPGGIOQXSEP-LBPRGKRZSA-N	323.220	1.073	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)c2cscn2)C1	1842469852	JARZJPGUQWFFDG-SECBINFHSA-N	317.773	1.495	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)c1cc(-c2nn[nH]n2)ccn1	1593163707	FJSTXFHQZXDTTE-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNc1ccc(F)c(C(=O)O)c1	1597307575	BUYJIEOBHKAOLV-NEPJUHHUSA-N	311.313	1.718	50	20	DDGD	
CN(Cc1ccc(C(=O)O)cn1)S(=O)(=O)CCCCl	1598515712	QVUIEYPFPYAIHE-UHFFFAOYSA-N	306.771	1.170	50	20	DDGD	
COc1cccc(C=NNC(=O)c2ccc(C(=O)O)cc2)c1O	1776099257	WUFPWEZIGUVSKI-UHFFFAOYSA-N	314.297	1.863	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1sc(Cl)cc1C(=O)O	1776082246	FDLKKVHPYQIHEV-NKWVEPMBSA-N	316.766	1.975	50	20	DDGD	
COc1ccc(C(=O)O)cc1C=NNC(=O)N=c1cc[nH]cc1	1776078033	XRBUBTILBJALIV-UHFFFAOYSA-N	314.301	1.366	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=Cc2cc(C(=O)O)co2)c1	1776096131	MQURSKMKJHWYHS-UHFFFAOYSA-N	302.242	1.440	50	20	DDGD	
COc1cccc(OC)c1C(=O)NNC(=O)c1ccccc1	5746087	AKHUISMDQVTPET-UHFFFAOYSA-N	300.314	1.779	50	20	DDGD	
CC(C)n1ncc2cc(C(=O)NNC(=O)c3cccnc3)cnc21	11770847	UNEHBJNIVXMEIS-UHFFFAOYSA-N	324.344	1.482	50	20	DDGD	
NC(=O)NNC(=S)NCCSc1ccc(Cl)cc1	18138260	ANDMSOOBERZGII-UHFFFAOYSA-N	304.828	1.480	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	18988384	JGHBVUNWCUNPKC-BQYQJAHWSA-N	306.234	1.885	50	20	DDGD	
CC(C)CCOc1ccc(NC(=O)NNC(=O)CN(C)C)cc1	161583903	HIVMGFYZGNGZTE-UHFFFAOYSA-N	322.409	1.826	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Nc2ccnn2CC2CC2)cc1	160156546	APTWISKIWWTTNN-UHFFFAOYSA-N	324.344	1.631	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC[C@H]1CC(=O)c1cnn(C)c1	154990185	FMVRNTOXRPXGDY-NYHXXUGCSA-N	316.361	1.428	50	20	DDGD	
Cc1csc(NC(=O)NNC(=O)c2cccc(C#N)c2)n1	103502144	IIGWMCUOKNLMCF-UHFFFAOYSA-N	301.331	1.790	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1	57398704	ODNHAXJGZKGJOL-JTQLQIEISA-N	314.769	1.543	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)cc1)NNc1ncccc1Cl	172268611	WNRIOGILUSOZOL-UHFFFAOYSA-N	322.727	1.747	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCCc1cccs1	103505238	JXJWRJHGCCGKMC-UHFFFAOYSA-N	304.375	1.259	50	20	DDGD	
CCC1(C(=O)NNC(=O)COc2ccccc2OC)CCC1	177610270	IXXKTKBDWXOXPT-UHFFFAOYSA-N	306.362	1.802	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cc(OC)ccc1Cl	112266341	BRAYVOCXTVTTNG-QMMMGPOBSA-N	320.798	1.704	50	20	DDGD	
C[C@H](O)C[C@H](CNC(=O)NNc1cccnn1)c1ccccc1	177886685	GCEUUISKAICTKV-GXTWGEPZSA-N	315.377	1.657	50	20	DDGD	
CN(NC(=O)c1cc(Br)cnc1Cl)C(N)=O	179693092	FYBZGZBSSXDEHN-UHFFFAOYSA-N	307.535	1.153	50	20	DDGD	
O=C(CCc1ccoc1)NNC(=O)COCc1ccccc1	177285683	CZXOQTLKNHBEFG-UHFFFAOYSA-N	302.330	1.576	50	20	DDGD	
COC(=O)CCCNC(=O)NNc1cc(F)c(F)cc1F	172124809	OTUBLCIFIZHMBA-UHFFFAOYSA-N	305.256	1.683	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)Cc2cccnc2)CC[C@H]1C	183316766	KVWLLULQXKZQLQ-DYEKYZERSA-N	304.394	1.779	50	20	DDGD	
COC(=O)c1cn(CC(=O)NNC(=O)C(C)C)c2ccccc12	26796563	XXRAOPOFSMWJBY-UHFFFAOYSA-N	317.345	1.231	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NNc1cc(F)c(F)c(F)c1	175484289	IDFMHJYXJAUSOU-UHFFFAOYSA-N	310.297	1.372	50	20	DDGD	
COc1cc(C)nc(NNC(=O)COc2ccc(C)cc2C)n1	174488975	DYQMYFVVCQQGFE-UHFFFAOYSA-N	316.361	1.933	50	20	DDGD	
CCC(CC)C(=O)NNC(=O)Cc1nc2ccccc2n1C	122443847	KMBLLSMIXVWOPQ-UHFFFAOYSA-N	302.378	1.699	50	20	DDGD	
CSc1ccc(C(=O)NNC(=O)NCC(F)(F)F)cc1	124642771	ISPKAPYZRKHQBS-UHFFFAOYSA-N	307.297	1.915	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)COCc2ccccc2)n[nH]1	127871631	FIUHKYNTSYXMOY-UHFFFAOYSA-N	316.361	1.511	50	20	DDGD	
O=C(NNc1cnccn1)C(=O)Nc1ccc(Cl)c(F)c1	122298813	CNMAJLFRCKARCE-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)c1ccccc1F)C(C)(C)C	73150223	IFDFTOGCSMDFLP-GFCCVEGCSA-N	311.357	1.831	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@H](C)SC)cc1OC	33224614	DLHKRGKFHDSRFY-SECBINFHSA-N	312.391	1.606	50	20	DDGD	
C[C@@H](CCc1ccc(O)cc1)NC(=O)NNC(=O)c1ccc[nH]1	121891636	XTDWBBLSSWTPPP-NSHDSACASA-N	316.361	1.686	50	20	DDGD	
O=C(Cn1cc([N+](=O)[O-])cn1)NNc1ccc2ccccc2n1	181140876	XIFUHIGPTJGTGH-UHFFFAOYSA-N	312.289	1.483	50	20	DDGD	
CC(C)N(CCCNC(=O)NNC(=O)C(C)(C)C)C(C)C	72517253	MCZAAPITSWGUPQ-UHFFFAOYSA-N	300.447	1.872	50	20	DDGD	
CO[C@@H](C)CCC(=O)NNC(=O)Cn1ccc2ccccc21	181365862	KGSVBWYMPZDRAR-LBPRGKRZSA-N	303.362	1.604	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)n1	181444649	OEVUFKXCKWVPRE-QWRGUYRKSA-N	305.382	1.342	50	20	DDGD	
O=C(NNc1cccc(F)c1)C(=O)N1CCc2c(F)cccc21	187467244	MWFODSCHGYUAQJ-UHFFFAOYSA-N	317.295	1.997	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)Nc1cccnc1	73117620	ZUJHPPDJLILBSK-UHFFFAOYSA-N	309.329	1.958	50	20	DDGD	
Cc1c(/C=C/C(=O)NNc2nnc(C3CC3)s2)cnn1C	184514386	LORPLXGUIPMHAE-AATRIKPKSA-N	304.379	1.614	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Cc1csc(N2CCCC2=O)n1	80085612	JWEYBUJWGHDOEH-UHFFFAOYSA-N	324.406	1.006	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NCC1CCC1	47053487	ADSHIWVCXYMURM-SNVBAGLBSA-N	309.341	1.724	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NC[C@@H]1CCCOC1	195166282	OFHFJIKBKYOMSZ-AWEZNQCLSA-N	305.378	1.376	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2ccc3ccn(C)c3c2)ncn1	190139065	AWSRKKPELWMHAX-UHFFFAOYSA-N	324.344	1.359	50	20	DDGD	
O=C(NNC(=O)c1cccc2ncccc12)C(=O)c1ccccc1	194274616	OZZUAIAGPIWOBK-UHFFFAOYSA-N	319.320	1.879	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C(C)(C)C)n(-c2ccccn2)n1	194794691	HPULZKXFIQUDCR-UHFFFAOYSA-N	316.365	1.775	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C)s2)cc1	194043970	YUCOIUKCNLTGDW-UHFFFAOYSA-N	317.370	1.765	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1	238103844	VTDFUSLBTCJNHE-MDZLAQPJSA-N	304.350	1.959	50	20	DDGD	
O=C(C[C@H](O)c1ccc(Cl)cc1)NNC(=O)c1ccc[nH]1	90822705	SNISUQCUPGYKLE-LBPRGKRZSA-N	307.737	1.553	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cc1	249107933	KUKQXUJLBLHROH-SLEUVZQESA-N	317.389	1.691	50	20	DDGD	
CC[C@H]1CN(C(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)CCO1	255887689	ZQZKWPPTDNGAHE-KAMPRCONSA-N	312.373	1.750	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)N[C@@H]1CC=CCC1	265557019	KQOGEIWUNCXJFZ-LLVKDONJSA-N	305.334	1.210	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)C(C)(C)c2ccccc2)CCO1	264652528	HAMQAFKEYGCKBI-LBPRGKRZSA-N	305.378	1.426	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)C2CCC2)Cc2ccccc2C(=O)O1	264776557	PFPHDGPVOWTGPA-INIZCTEOSA-N	302.330	1.106	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@H](C)C[C@@H](C)O)cc(C#N)n1C	265858044	FOXDPZDWEVFTCD-QGCWCCPISA-N	314.389	1.635	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@](C)(OC)c1ccccc1	274925003	JWFNBYAHNYKQKD-HNNXBMFYSA-N	302.334	1.490	50	20	DDGD	
O=S(=O)(CBr)Oc1cccc2c1OCCO2	273821956	OQXYBOHWOKHHEM-UHFFFAOYSA-N	309.137	1.519	50	20	DDGD	
COCCOc1cc(OC)ccc1C(=O)NNc1ncccn1	276293510	IHQQPRHXTLZMHS-UHFFFAOYSA-N	318.333	1.267	50	20	DDGD	
Cc1nc2n(n1)C[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)CC2	278733136	RFUSATDJEILHJS-YLHGKKIISA-N	323.356	1.330	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2[C@@H](C)[C@H](OC)C2(C)C)nc1	276045693	YGUPOCYUFSTPJW-WQAKAFBOSA-N	308.382	1.776	50	20	DDGD	
COc1nccnc1NNC(=O)C[C@H]1CSCCS1	274053770	HNNBYLMSUFQLFD-QMMMGPOBSA-N	300.409	1.167	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)[C@@H]2CCCO2)c1	273479743	KJSCNJWAHDOWSJ-NSHDSACASA-N	313.741	1.680	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1COCCN1CC)c1ccccc1	371421837	AVYIISKTCDDRDV-GJZGRUSLSA-N	319.405	1.048	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1	374672000	PPFOINWBNHFARH-UPJWGTAASA-N	305.334	1.415	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)COCc1ccccc1	281865655	KMWULOHXJUESPO-ZOWXZIJZSA-N	306.362	1.164	50	20	DDGD	
CC[C@@H](C)CCC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1	285077894	MZJINDLNPAUJMA-LLVKDONJSA-N	316.365	1.250	50	20	DDGD	
CC[C@@](O)(C(=O)NNC(=O)C1CCC1)c1cccc(Cl)c1	282763489	OKRZFAZUWIIJDS-HNNXBMFYSA-N	310.781	1.885	50	20	DDGD	
CCNC(=O)CCCC(=O)NNC(=O)Nc1ccccc1C	281270181	PPXYBYSAYHRJCM-UHFFFAOYSA-N	306.366	1.454	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)CC1CC1)C(=O)c1cccc(F)c1	294261640	UHTMNLXFZVECCC-SNVBAGLBSA-N	306.337	1.982	50	20	DDGD	
CSc1cc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)ccc1F	294168012	IRCSULSGOZYWBE-KWQFWETISA-N	312.366	1.876	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CCCO2)c2ccccc21	294755493	WMAGVNFUOSLWDS-JSGCOSHPSA-N	302.330	1.073	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)C(=O)NC(CC)CC)[C@@H]1SC	807971961	JOUOCHAXURCBPU-RYUDHWBXSA-N	315.439	1.304	50	20	DDGD	
CCCC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1ccccc1F	298795396	VJNVTNDLCDJREJ-ZDUSSCGKSA-N	321.352	1.378	50	20	DDGD	
C[C@@H](CCc1ccco1)NC(=O)NNC(=O)[C@@H]1CCCCO1	297465880	NKEPNTGTQSQGAM-AAEUAGOBSA-N	309.366	1.500	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@@H](N2CCCC2)[C@H]1C	805767821	HKNTXBSXEQDBHH-QLFBSQMISA-N	324.469	1.127	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cncc(C(F)(F)F)c2)n[nH]1	808407673	CRUYNJROJTWUMD-UHFFFAOYSA-N	313.239	1.207	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H]1OC[C@H]2COCC[C@@H]21	290429542	GYWLLNISMSOGQD-MBNYWOFBSA-N	319.361	1.199	50	20	DDGD	
C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNS(=O)(=O)CCl	708560609	IHHHJKYWKFHSPJ-JSGCOSHPSA-N	316.854	1.870	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H](C)CN2CCOCC2)cc1	294248490	GYHZOWFSFWPLCI-ZDUSSCGKSA-N	307.394	1.497	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@H](C(=O)NNc2ncc(F)cc2F)C1	297014689	RVSBPAYNCTUKJS-DTWKUNHWSA-N	313.304	1.782	50	20	DDGD	
COc1cc(C)cc(C(=O)NNC(=O)[C@H]2CCCCO2)c1O	295349278	IMLAQCZSBWWNHH-LLVKDONJSA-N	308.334	1.039	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)[C@@H](F)C(F)(F)F	809934078	GSKRVYLJWCMONK-SECBINFHSA-N	312.194	1.252	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1cccc2c1COC2=O	808932569	RIMFELUNFZLYEY-UHFFFAOYSA-N	311.297	1.439	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1ccc2n[nH]cc2c1	804957705	QVHLPFAGCNZXCE-UHFFFAOYSA-N	320.316	1.296	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)OC(C)(C)C	297247817	BPASXOLQRNMWLL-JOYOIKCWSA-N	308.334	1.771	50	20	DDGD	
Cc1ccc(C(C)(C)C(=O)NNC(=O)[C@@H]2CCCCO2)cc1	295630307	SKWLHEIHQBHREX-AWEZNQCLSA-N	304.390	1.989	50	20	DDGD	
CC(C)[C@@H]1NCC[C@H]1C(=O)NNc1nc(-c2ccncc2)no1	290101186	IAHWZJYMPKQQEW-NEPJUHHUSA-N	316.365	1.209	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNc2nnc[nH]2)cc1OC	293983637	RLHPVPOLMWFCKW-UHFFFAOYSA-N	305.338	1.243	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1NC(=O)NNc1ncncc1F	814477607	ZABYEHWOHGJHCH-UHFFFAOYSA-N	322.256	1.681	50	20	DDGD	
CC(C)(C)N1C[C@@H](C(=O)NNc2cccc(Cl)n2)CC1=O	817011498	WQUCDVXSZOZTKR-VIFPVBQESA-N	310.785	1.825	50	20	DDGD	
Cn1c(NNC(=O)[C@H]2COc3ccccc3O2)nc2ccccc21	816578551	GREMDBPKOGFMBH-OAHLLOKOSA-N	324.340	1.856	50	20	DDGD	
CC(=NNC(=O)c1cccc(S(C)(=O)=O)c1)c1c[nH]nc1C	814801908	OWMLYOYESRAMBK-UHFFFAOYSA-N	320.374	1.276	50	20	DDGD	
COCc1nc(CNC(=O)NNC(=O)C(C)(C)C)cs1	811879019	RFNMNSDWYWIAET-UHFFFAOYSA-N	300.384	1.166	50	20	DDGD	
C[C@H]1C(=NNC(=O)C(=O)N2CCCC2)CC[C@@H](C(=O)O)C1(C)C	814824920	PZZDRDLGCJZKSS-QWRGUYRKSA-N	323.393	1.238	50	20	DDGD	
N#Cc1cccc(C(=O)NNc2ccnc(Br)c2)n1	811124198	ZWOFDJPHRKETKF-UHFFFAOYSA-N	318.134	1.868	50	20	DDGD	
CCn1nncc1C(=O)NNC(=O)Nc1ccc(C)cc1Cl	816596095	OHAYWGGMTBSLJG-UHFFFAOYSA-N	322.756	1.726	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1ccc(Cl)c(N)c1	814864720	HVGHKLJREXVQTQ-SNVBAGLBSA-N	313.785	1.814	50	20	DDGD	
O=C(CCCC1CC1)NNC(=O)c1ccc(-n2cnnn2)cc1	813367703	IUDIAVFCLVWAJB-UHFFFAOYSA-N	314.349	1.004	50	20	DDGD	
Cc1c(NNC(=O)NCCCn2cncn2)cccc1[N+](=O)[O-]	728128838	VJTRJZKMWJVWEH-UHFFFAOYSA-N	319.325	1.211	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=C2CC(C(=O)O)C2)n1	814708421	GPTTXIVLRINORZ-UHFFFAOYSA-N	308.363	1.152	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCc2cccc(O)c2)c1	729052407	YUBRTPWEZYNUHT-UHFFFAOYSA-N	310.313	1.408	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)Cc1ccc(Br)cc1	821216967	BUDLUFABAJUURR-SECBINFHSA-N	301.184	1.335	50	20	DDGD	
CCOC(=O)N[C@H](C(=O)NNc1ccc(OC)cc1)C(C)C	493052004	MLUBFFJSNFKKTJ-ZDUSSCGKSA-N	309.366	1.909	50	20	DDGD	
CC(=O)NNC(=O)[C@@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C	495936560	RTWSFJFUNHUHKI-KOLCDFICSA-N	301.387	1.339	50	20	DDGD	
CN(C)CC(=O)NN=Cc1cc(Br)ccc1O	727650345	ZMNRVXFBHANCRH-UHFFFAOYSA-N	300.156	1.166	50	20	DDGD	
COC(=O)c1ccc(O)c(C=NNC(=O)c2ccc(C#N)cc2)c1	726738012	IHGOJZRQMZAMNC-UHFFFAOYSA-N	323.308	1.814	50	20	DDGD	
O=C(CC[C@H]1CCOC1)NNc1ccc(-c2nn[nH]n2)cc1	826405454	GHWRYPWYWMFFGP-JTQLQIEISA-N	302.338	1.127	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC[C@H]1c1cccnc1	827298931	KOTPIJOCFOVCAT-YUTCNCBUSA-N	318.377	1.384	50	20	DDGD	
NC(=O)[C@H](NNC(=O)C1CC1)c1ccc(Br)cc1	729676641	QFYNCZQAZYQPEH-SNVBAGLBSA-N	312.167	1.006	50	20	DDGD	
CCOc1ccc(NNC(=O)COc2c(C)occc2=O)cc1	820572523	BNIQDOCHFRSHNI-UHFFFAOYSA-N	318.329	1.869	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@@H](C)C[C@H]1c1ccco1	827948568	HQHAJJMFAMGDDV-OLZOCXBDSA-N	307.394	1.856	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1	823983289	PXHHUEWCZBNKPZ-MRVPVSSYSA-N	309.347	1.767	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(OCc2noc(C)n2)cc1	495691938	FEWUPWWWXDTLNW-UHFFFAOYSA-N	320.305	1.300	50	20	DDGD	
COC(=O)NN=Cc1cc(Br)c2c(c1)OCCO2	490710398	OTJGPJCKTZMNPU-UHFFFAOYSA-N	315.123	1.910	50	20	DDGD	
CCN(CCO)NC(=O)c1cnn(-c2ccccc2OC)c1C	823885028	SLHICAFJDLBYLR-UHFFFAOYSA-N	318.377	1.148	50	20	DDGD	
CCCC(=O)Nc1cccc(NCc2ccc(B(O)O)o2)c1	585013144	NBSNBCGEFZXXLN-UHFFFAOYSA-N	302.139	1.310	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NN=C1CCC(O)CC1	496954010	HGDBRIGGKUHAEP-UHFFFAOYSA-N	313.398	1.698	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)COc1ccc(F)cc1)C1CC1	822571481	BLZHBKOFUXVBSR-CYBMUJFWSA-N	309.341	1.724	50	20	DDGD	
O=C(CCc1ncc(-c2ccccc2)o1)N1CC[C@H](B(O)O)C1	585069821	PRVVXADJLMZNRX-ZDUSSCGKSA-N	314.150	1.350	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CCCc1ccc2nc(O)[nH]c2c1	730214626	LUJZRSAVUAXRLV-UHFFFAOYSA-N	319.365	1.330	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C(C)CCOC	496720387	OANNXGXTQGBHQK-LBPRGKRZSA-N	311.382	1.432	50	20	DDGD	
O=C(COC[C@@H]1CCCO1)NNc1nccc2sccc12	734249612	CNWYCAJVAQAJCH-JTQLQIEISA-N	307.375	1.935	50	20	DDGD	
CC(C)(C)CCC(=O)NNC(=O)CCNC(=O)OC(C)(C)C	495393878	WTNVGIHVAXBHBL-UHFFFAOYSA-N	315.414	1.875	50	20	DDGD	
CCCN(NC(=O)[C@H](C)S(C)(=O)=O)C(=O)OC(C)(C)C	495631341	OBGSFQFISYZUOI-VIFPVBQESA-N	308.400	1.098	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccc2oc(C3CC3)nc2c1	496146228	JLKZBDCRXCWMBV-UHFFFAOYSA-N	318.289	1.031	50	20	DDGD	
C=C(CI)n1cc([C@](C)(O)CC)nn1	900641447	UNQDQHQABGAVJE-SECBINFHSA-N	307.135	1.801	50	20	DDGD	
COc1cn(-c2ccccc2)nc1C(=O)NNc1cc(C)ncn1	734255637	QDSUOOPBRIWICI-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
C[C@H](NC(=O)[C@@]1(C)C[C@H]1Br)c1nnc2n1CCC2	906379040	XEESTYGYSDZFHL-SXMVTHIZSA-N	313.199	1.575	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cc(O)cs1	731865743	FTOPIAHCDCGJJN-NSHDSACASA-N	320.326	1.055	50	20	DDGD	
COC(=O)C[C@H](NS(=O)(=O)CBr)C(C)(C)C	907838571	OVJQIQQBEJWAFR-ZETCQYMHSA-N	316.217	1.236	50	20	DDGD	
COCCCCC(=O)NNc1ccccc1S(C)(=O)=O	732303862	FSGPBZUIDSMXEO-UHFFFAOYSA-N	300.380	1.350	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)O	737235907	RHOGYGBEXZTRPQ-JQWIXIFHSA-N	323.349	1.626	50	20	DDGD	
Cc1ccc2c(c1)[C@H](NC(=O)NNC(=O)Cc1cccnc1)CC2	730130145	BTHXRSYWKLEECK-MRXNPFEDSA-N	324.384	1.950	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ncoc1-c1ccccc1	833251416	XGYFMUVRLATWBL-GFCCVEGCSA-N	315.329	1.672	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNC(=O)[C@H](CC)c1ccccc1	732133172	RHKRPCVAUMJEHK-WCQYABFASA-N	305.378	1.242	50	20	DDGD	
O=C(CCCC[C@H]1CCSS1)NNC(=O)c1ncon1	832825682	DKJFGMWEFPCCHD-QMMMGPOBSA-N	316.408	1.545	50	20	DDGD	
C[C@]1(C(=O)NCCCN2CCCCC2=O)C[C@H]1Br	906599599	PKLKDAYUMMBMLH-MFKMUULPSA-N	317.227	1.679	50	20	DDGD	
COc1cc(C(C)=NNC(=O)[C@H]2CCCCO2)c(OC)cc1O	834987556	XHDLRMSSYFKHSL-CYBMUJFWSA-N	322.361	1.819	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@@H]1CCCCC1(F)F	831754692	VMEHQUAZUNNYFS-LURJTMIESA-N	303.231	1.705	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C[C@H]1C[C@H]2CC[C@H]1O2	836663339	GXUWYPFSLAPTOI-NQBHXWOUSA-N	304.346	1.414	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCS[C@@H]2CCCC[C@H]21	584961228	RRSVRFWEEMMMKV-ZIAGYGMSSA-N	323.198	1.006	50	20	DDGD	
OB(O)c1cccc(CN[C@H]2CCO[C@@H](c3ccccc3)C2)c1	585036988	SRZCUCQIGKYJFZ-ZWKOTPCHSA-N	311.190	1.376	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCC[C@H]1C[C@H]2CC[C@H]1O2	838752370	GVNQEBRPSPVIGN-GZBFAFLISA-N	317.389	1.897	50	20	DDGD	
COc1ccc([C@H](NCc2ccccc2B(O)O)C2CC2)cc1	585015367	XVZGOPZKJXOZIG-GOSISDBHSA-N	311.190	1.616	50	20	DDGD	
Cc1ccc(-c2n[nH]cc2C=NNC(=O)c2cnn(C)c2)cc1	735414073	CUHYILXRXCOOND-UHFFFAOYSA-N	308.345	1.883	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NC[C@@H]2CC[C@@H](C)O2)cc1	838742540	SIVGPGDBTREXAL-MFKMUULPSA-N	322.365	1.598	50	20	DDGD	
C[C@@]1(c2cccs2)C[C@H]1CNCc1ccc(B(O)O)cc1	585024428	XNNBETRNSTZLFQ-XJKSGUPXSA-N	301.220	1.495	50	20	DDGD	
Cc1cccc(C)c1[C@@H]1CCCN1C(=O)c1ccc(B(O)O)cc1	585009489	YUEFVRLAOKKKRZ-KRWDZBQOSA-N	323.201	1.961	50	20	DDGD	
O=C(CN1CC[C@H](c2cccc(F)c2)C1)NNC(=O)C1CC1	733198438	GPOPIIYAXAIKLE-ZDUSSCGKSA-N	305.353	1.172	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@](C)(O)C2CC2)c1F	837061772	RQUYAHHJXOYYSU-HNNXBMFYSA-N	310.325	1.607	50	20	DDGD	
O=C(C[C@H]1COCCN1S(=O)(=O)CCl)c1ccccc1	831116115	VYMSQWFORBNCAQ-LBPRGKRZSA-N	317.794	1.486	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=Cc1ccsc1	916371837	MNBYQHKZRBCSFU-YNEHKIRRSA-N	309.435	1.944	50	20	DDGD	
O=C(CCC1CCCCC1)NNC(=O)NC1CN(C(=O)O)C1	831424502	RYKYSHLJBKZASR-UHFFFAOYSA-N	312.370	1.040	50	20	DDGD	
COc1ccc2c(c1)CCCC2=NNC(=O)C[n+]1ccccc1	916270668	BKQFWQLXRXIZEU-UHFFFAOYSA-O	310.377	1.840	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCCC2=O)c(Cl)c1	913732855	LKACJXCJYPNICQ-UHFFFAOYSA-N	309.753	1.032	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccc2ccc(C)nc12	741302707	VLEJVPWUPUCTFB-UHFFFAOYSA-N	300.387	1.838	50	20	DDGD	
O=C(NNc1ncccc1C(F)(F)F)[C@@H]1CCCS1(=O)=O	848371032	GSSQDZJMJZXGPP-QMMMGPOBSA-N	323.296	1.121	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2csc3cncn23)n1	746634603	KMMYLJMUOUAMFB-UHFFFAOYSA-N	304.335	1.260	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)c2cc(Cl)ccc2O)s1	748830875	IEKSSEJEUDKNAU-UHFFFAOYSA-N	311.750	1.885	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)N3CC(F)C3)cc2C1	841575768	PSCDRWURULONSO-MRVPVSSYSA-N	311.382	1.881	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1ccc2c(c1)OCO2	740763102	XMQBVGXVGVAJKH-UHFFFAOYSA-N	319.361	1.560	50	20	DDGD	
CN(CCN1CCNCC1)C(=O)[C@H](Br)C(C)(C)C	843338929	VYHMKBQYMHQKNY-NSHDSACASA-N	320.275	1.160	50	20	DDGD	
Cc1cc(C(=O)NNc2ccnc(N(C)C)n2)c2n[nH]cc2c1	740103223	XJXWEKPVPCGLKD-UHFFFAOYSA-N	311.349	1.484	50	20	DDGD	
NS(=O)(=O)c1ccc(C(=O)NNc2cccc(F)c2)s1	748098927	LSPUKLLYURRIIR-UHFFFAOYSA-N	315.351	1.292	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccc2c(c1)OCCCO2	918366379	XVYMJHPOBGKXRO-UHFFFAOYSA-N	318.251	1.561	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccc(-n2ccnc2O)cc1	845190465	COHZZFLHYNQMEA-UHFFFAOYSA-N	314.345	1.529	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1cccc(CS(C)(=O)=O)c1	746690072	JTSPUEZNLWEHIJ-FMIVXFBMSA-N	308.359	1.614	50	20	DDGD	
Cc1ccnn1-c1ccc(C(=O)NNc2nccn(C)c2=O)cc1	747943437	WZULXBUUBSUSGC-UHFFFAOYSA-N	324.344	1.031	50	20	DDGD	
COCCN1CC[C@H](NC(=O)NNc2cc(F)ccc2F)C1	919636246	VMSLTYOJXSRSFX-NSHDSACASA-N	314.336	1.312	50	20	DDGD	
O=C(NC[C@H]1CCCN1)NNC(=O)c1ccc(Cl)cc1F	841937845	CPNYWYTVQQXZAS-SECBINFHSA-N	314.748	1.175	50	20	DDGD	
C[C@H](C(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1)C1CC1	748133195	MPNBQYBKPDPDDU-VIFPVBQESA-N	324.764	1.690	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)NC2CCNCC2)cc1	841916200	PAKUQZPUHWYFHX-UHFFFAOYSA-N	318.421	1.680	50	20	DDGD	
CO[C@]1(C=NNC(=O)COc2ccc(C)c(C)c2)CCOC1	841606861	MMACORSZBRJBBC-INIZCTEOSA-N	306.362	1.590	50	20	DDGD	
COCCCNC(=O)NN=C1C(=O)Nc2c1cccc2C(C)C	841622055	QUNANHHALIKLRH-UHFFFAOYSA-N	318.377	1.802	50	20	DDGD	
COc1ccc(Br)c(NNC(=O)C2(O)CCC2)c1	840549561	AXFYCRQTNQTJCF-UHFFFAOYSA-N	315.167	1.816	50	20	DDGD	
O=C(NN=Cc1c[nH]c2ccc(F)cc12)C(=O)N1CCCC1	748136854	TYNMTHSJCBBKIF-UHFFFAOYSA-N	302.309	1.380	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)C[C@@H](C)n2ccnc2)o1	845336805	PTSOIXPVAAIUGZ-SNVBAGLBSA-N	302.338	1.961	50	20	DDGD	
CC(C)c1ccc([C@H](N)CNC(=O)NNc2ncccn2)cc1	841937217	UQHNXESXQBQZLS-CQSZACIVSA-N	314.393	1.926	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCc2cccc(Cl)c2C1	841614256	JECIUUQGFGDFLF-UHFFFAOYSA-N	319.792	1.923	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCC[C@@H]2CCNC2)cc1	841938703	OWIFEWDPEDENKV-ZDUSSCGKSA-N	304.394	1.193	50	20	DDGD	
N#Cc1csc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)c1	748076385	PKLJNTDWSDIBAJ-UHFFFAOYSA-N	323.341	1.359	50	20	DDGD	
COC(=O)[C@@H]1CN(S(=O)(=O)CCl)C[C@@H]1c1ccccc1	841529685	DQZPVCJJCVTIIO-VXGBXAGGSA-N	317.794	1.401	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@H](CO)CC1CCCCC1	841576519	FJCPOQPKWOGKKS-HNNXBMFYSA-N	319.405	1.962	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)c2cccc(C#N)c2)nn1C	746518245	PGVZBKWEDMGIDV-UHFFFAOYSA-N	311.345	1.490	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(CCN(C)C)cc1	847392118	MCPWCNRIMIGADV-UHFFFAOYSA-N	306.410	1.535	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1	749142676	QIZZMRMRXHWWTM-UHFFFAOYSA-N	314.363	1.465	50	20	DDGD	
CC(C)c1ccccc1OCC(=O)NNc1nccn(C)c1=O	747943007	MMTANGFHWLIELO-UHFFFAOYSA-N	316.361	1.426	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cc(Cl)nc(C3CC3)c2)cn1	846878629	ISSNLVALVDWTCM-UHFFFAOYSA-N	319.752	1.421	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1ccc2c(c1)CCCO2	843660526	UFXNUESRHHFKQB-RISCZKNCSA-N	318.373	1.127	50	20	DDGD	
C[C@@H]1C[C@@H]1c1ccc(C=NNC(=O)Cc2cc(O)nc(O)n2)o1	743447899	RNXXPSCVGCQBJE-KCJUWKMLSA-N	316.317	1.297	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12	929189781	OXIOMXICKXRQSK-HWPZZCPQSA-N	317.345	1.452	50	20	DDGD	
C=C(CC)CNC(=O)NNc1ncc(Br)cn1	847382032	HNZQLRVRFMDVGU-UHFFFAOYSA-N	300.160	1.831	50	20	DDGD	
CC[C@@H](C)c1nc(C)c(CC(=O)NNC(=O)C2CC2)c(C)n1	847285619	PICFWZIIYOETLK-SECBINFHSA-N	304.394	1.707	50	20	DDGD	
C[C@@H]1COC[C@@H]1NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	925989997	DBCZIBRBISSJMC-RISCZKNCSA-N	319.405	1.963	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCc2c(cccc2OC)C1	754949437	FTLZMYAOQDTHBO-LBPRGKRZSA-N	320.389	1.708	50	20	DDGD	
CNC(=O)Cc1ccc(NC(=O)NNC(=O)CC(C)C)cc1	755655400	CEGQJEYODCFQDR-UHFFFAOYSA-N	306.366	1.174	50	20	DDGD	
Cn1nncc1NNC(=O)c1cc(Cl)c2c(c1)OCCCO2	857273168	UBIQBCRIDMEPAN-UHFFFAOYSA-N	323.740	1.387	50	20	DDGD	
CCN(CC)C[C@H](C)NC(=O)NNc1cncc(Cl)n1	921118055	HXTKYUIYELRAKM-VIFPVBQESA-N	300.794	1.486	50	20	DDGD	
CC(C[C@H]1CCOC1)=NNC(=O)C(=O)Nc1ccc(C)cc1	751521981	SOHRGGFXEXCWLF-CYBMUJFWSA-N	303.362	1.852	50	20	DDGD	
CC(=NNC(=O)c1nn(C)c(=O)c2ccccc12)c1ccoc1	755889833	ZLJZIUUGNTXLPG-UHFFFAOYSA-N	310.313	1.681	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H](c2cnn(C)c2)C(C)C)n1	927409171	SUUWKTAMXKYMEH-CYBMUJFWSA-N	317.397	1.850	50	20	DDGD	
CO[C@H](C1CC1)[C@H](C)NC(=O)NNC(=O)c1cc(C)cs1	858519939	BQOFSOZPKCJMAM-CABZTGNLSA-N	311.407	1.814	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc2c(c1)ncn2C	753395134	KGKBZUQXAMUBNG-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
O=C(NNc1ccc(F)cn1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	754129166	RPCNYSZTSWRQLJ-RTXFEEFZSA-N	306.341	1.804	50	20	DDGD	
C[C@H](CCOc1ccccc1)C(=O)NNC(=O)c1cc[nH]n1	855357380	HZOLFWYXUQAXGI-LLVKDONJSA-N	302.334	1.276	50	20	DDGD	
Cn1ncc(C2CC2)c1C=NNC(=O)CNc1ccccc1F	853264222	VKNXCDZNMXVLQN-UHFFFAOYSA-N	315.352	1.999	50	20	DDGD	
O=C1NCC[C@H]1C(=O)NNc1cc(F)ccc1Br	854940765	YSTFNFCOVIWWKC-SSDOTTSWSA-N	316.130	1.167	50	20	DDGD	
CN(C)CCOCCNC(=O)NNc1c(F)cc(F)cc1F	922145949	XSNOEPDLWNDUMP-UHFFFAOYSA-N	320.315	1.308	50	20	DDGD	
CON(C)C(=O)[C@@H](C)NC(=O)NNc1ccc(Cl)cc1C	923482875	HVVPNPHQERVOJT-SECBINFHSA-N	314.773	1.683	50	20	DDGD	
C[C@@H]1CC[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)[C@H](C)C1	852109151	WPJJSZLPILAFQO-GMTAPVOTSA-N	308.357	1.989	50	20	DDGD	
C[C@]1(CNC(=O)NCCCn2cncn2)C[C@@H]1Br	856824302	FFBFTEWLHVZAAY-GXSJLCMTSA-N	316.203	1.141	50	20	DDGD	
CC(=NNC(=O)c1cc[nH]n1)c1ccc2c(c1)C(C)(C)C(=O)N2	853393104	URIGCQLMLOGAAX-UHFFFAOYSA-N	311.345	1.793	50	20	DDGD	
CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)c1cc[nH]n1	855362349	RCDHZCMNCWBXDE-NSHDSACASA-N	316.361	1.763	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CCn1cnc2c(N)ncnc21	854478186	DGEPPRNLYPTPMR-UHFFFAOYSA-N	317.180	1.061	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)OCC(F)(F)F)on1	853429984	VCVDSXZDIUOCQC-UHFFFAOYSA-N	309.200	1.474	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NNc1ccc(C(F)(F)F)nn1	755184583	XQKNDEXWVZDUMQ-RKDXNWHRSA-N	317.315	1.811	50	20	DDGD	
CC(Cn1cncn1)=NNC(=O)C12CC3CC(CC(C3)C1)C2	853267908	HLZWRFBUXWXGBX-UHFFFAOYSA-N	301.394	1.987	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ocnc2C)c(C)c1	751060490	WYCNNOVBFQGMMG-UHFFFAOYSA-N	302.334	1.473	50	20	DDGD	
C[C@@]1(CNC(=O)NC2(CO)CCCC2)C[C@H]1Br	856951949	ADWJPVJFORDAGF-KOLCDFICSA-N	305.216	1.764	50	20	DDGD	
C[C@@]1(CN2C(=O)[C@H]3CCCCN3C2=O)C[C@H]1Br	857226899	BMULFTHUASKPBP-LNLATYFQSA-N	301.184	1.977	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@H]1CC(=O)c2ccccc21)C1CC1	855100009	SFTKHOCSQZACHI-RNCFNFMXSA-N	317.414	1.650	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Cc2occc2C)cc1C	854191619	OSPNDIDATGWAHJ-UHFFFAOYSA-N	316.357	1.974	50	20	DDGD	
CC[C@@H](C)N1CCN(S(=O)(=O)CC(C)(C)CCl)CC1	867360290	HGFQTARLIODUID-GFCCVEGCSA-N	310.891	1.997	50	20	DDGD	
COC(=O)NC1CCN(CCI)CC1	852764605	KRPHUOVCYJWOBR-UHFFFAOYSA-N	312.151	1.242	50	20	DDGD	
CC[C@H](CS(=O)(=O)NC[C@@]1(C)C[C@@H]1Br)OC	856753224	PPHKRGXBDBREIW-KXUCPTDWSA-N	314.245	1.504	50	20	DDGD	
CCNC(=O)c1ccc(NC(=O)NN(C)C(=O)NCC)cc1	768545865	FGKXEDOVTXOJNM-UHFFFAOYSA-N	307.354	1.134	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)Cc2ccco2)c1	764549176	ZKPMMXXEDSDPKJ-UHFFFAOYSA-N	304.302	1.301	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)NCC1CC1)c1ccccc1F	760170993	XHSBHBPWQPVOLV-HNNXBMFYSA-N	309.341	1.428	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CCSC1	761803806	FVNJAFIXFAXBGX-ZJUUUORDSA-N	312.366	1.494	50	20	DDGD	
NC(=O)c1ccccc1NCC(=O)NNc1ccc(F)cc1	764118243	WWLROVAHUQGSCO-UHFFFAOYSA-N	302.309	1.480	50	20	DDGD	
CC[C@H](c1ccncc1)N(C)CC(=O)NNC(=O)C(C)(C)C	769938028	XCLYUONLXDRQRJ-CYBMUJFWSA-N	306.410	1.658	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cncc(Br)c1C	934258244	BMGRPUPKZMRQTH-UHFFFAOYSA-N	317.143	1.935	50	20	DDGD	
CCO[C@@H](C(=O)NNc1ccc(C(F)(F)F)nn1)C1CC1	860401937	VPPGWYJNVVOQFR-SNVBAGLBSA-N	304.272	1.754	50	20	DDGD	
Cn1ccnc(NNC(=O)c2cccc3ccsc23)c1=O	768716859	OTYNJXVTBWONMB-UHFFFAOYSA-N	300.343	1.752	50	20	DDGD	
CC(=NNC(=O)c1cc(C)[nH]n1)c1ccc(S(C)(=O)=O)cc1	764795766	YCIJCVHDZDKXEA-UHFFFAOYSA-N	320.374	1.276	50	20	DDGD	
COCCC1(C(=O)NNC(=O)Cc2cc(C)[nH]n2)CCCC1	869014249	PVODSYJLYHPVCD-UHFFFAOYSA-N	308.382	1.005	50	20	DDGD	
Cc1cccc(NNC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)n1	862524055	TXDXCPOCPNLHGL-UHFFFAOYSA-N	313.361	1.711	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC(C)(C)C(=O)OC(C)(C)C)cn1	863377464	UHWGLBZZEITNCP-GHXNOFRVSA-N	318.377	1.564	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cccnc1-c1ccccc1	763441763	ZPJULPSLIVEDDR-UHFFFAOYSA-N	312.329	1.245	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCc1cncc2ccccc12	765331749	GZPHQHAKMITFTE-UHFFFAOYSA-N	314.414	1.849	50	20	DDGD	
COC(=O)CCc1ccc(NCc2cccc(B(O)O)c2)cc1	864005511	ZKTHFZLLTZAISA-UHFFFAOYSA-N	313.162	1.084	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)cc1Cl	766447423	NSOKPIFFSMBAOJ-VIFPVBQESA-N	317.798	1.036	50	20	DDGD	
CCOc1ccc(NNC(=O)c2cnn(CCOC)c2)cc1	868567865	ZEMAHPVZKVOKHU-UHFFFAOYSA-N	304.350	1.685	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)C2CCCCC2)c(=O)n(C)c1=O	767739316	YOIZJXAVPFQKJU-WQLSENKSSA-N	301.346	1.140	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@@H]1CC(=O)N(C2CC2)C1	766671173	HUELKUKAJQYQTQ-MRVPVSSYSA-N	317.374	1.145	50	20	DDGD	
O=C(NNC(=O)c1ccncc1Br)c1ccccn1	763106013	FRRCNCQXGLUPIK-UHFFFAOYSA-N	321.134	1.314	50	20	DDGD	
Nc1ccc(C(=O)NN=Cc2n[nH]c3cc(C(=O)O)ccc23)cc1	765548844	OPGDKCYHMSKEPS-UHFFFAOYSA-N	323.312	1.607	50	20	DDGD	
CCn1cc(CNC(=O)NNc2ccc(C(C)(C)C)nn2)cn1	1117312101	ULIBZCYUKXNVOH-UHFFFAOYSA-N	317.397	1.817	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1(c2cccc(C#N)c2)CC1	1118274335	DXEXYTFKOHIIJP-BXUZGUMPSA-N	313.357	1.162	50	20	DDGD	
O=C(NNC(=O)c1nc2ccccc2s1)NOC1CCC1	873030154	ANJOLSZIXGLRJU-UHFFFAOYSA-N	306.347	1.724	50	20	DDGD	
CC[C@](C)(NCC(=O)NNC(=O)c1ccccc1)C(F)(F)F	777615476	BBTFHPLDULESJX-ZDUSSCGKSA-N	317.311	1.768	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCN([C@@H]2CCC[C@H](C)C2)CC1	779817292	OEOAQFWNMLJYBF-GXTWGEPZSA-N	324.425	1.489	50	20	DDGD	
Cc1nnc(NNC(=O)CC(C)(C)c2ccc(F)cc2)nc1O	878038805	QXGHDOXTVVWCDA-UHFFFAOYSA-N	319.340	1.836	50	20	DDGD	
CCn1ncc(C(=O)NNc2nc(C)cc(OC)n2)c1C1CC1	879057107	BEXLIBDXXXWIFS-UHFFFAOYSA-N	316.365	1.644	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)Nc1nc(C2CC2)cs1	878041559	NXDJPBVTWCUVFA-UHFFFAOYSA-N	310.379	1.600	50	20	DDGD	
COCCOCC(=O)NN=Cc1cnn(-c2ccc(F)cc2)c1	872403560	VXQVGTCHZLLATC-UHFFFAOYSA-N	320.324	1.125	50	20	DDGD	
CCc1ccc(C(C)(C)NCC(=O)NNC(=O)C2CC2)cc1	775464857	ODCFHYGNFYLYPA-UHFFFAOYSA-N	303.406	1.631	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCc1cnnn1CC	875766546	VLMXXWLXYHZUNQ-UHFFFAOYSA-N	302.382	1.995	50	20	DDGD	
CSCC1(CC(=O)NNC(=S)Nc2ccccn2)CC1	874957091	AINMYORHGKFZHT-UHFFFAOYSA-N	310.448	1.933	50	20	DDGD	
C[C@]1(CNC(=O)C2(O)Cc3ccccc3C2)C[C@H]1Br	1118845327	WJVOGRMDPNKGAR-TZMCWYRMSA-N	324.218	1.806	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1	775834477	SXALKYKZYALFRY-NEPJUHHUSA-N	306.410	1.349	50	20	DDGD	
Cc1nn(C)c(C(=O)NNc2ncccc2Cl)c1[N+](=O)[O-]	777521592	KLMMSAQSUDAAJT-UHFFFAOYSA-N	310.701	1.442	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CCO1	776296569	DKKSRPRLILJBKR-CMPLNLGQSA-N	320.345	1.034	50	20	DDGD	
CCc1nnsc1C(=O)NNc1ccc(F)c([N+](=O)[O-])c1	771592347	MSRXNSXLBYSQTI-UHFFFAOYSA-N	311.298	1.905	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)N[C@H]1C[C@@H]1Cc1ccccc1	883493628	PJXAWKVOEAZUPS-JSGCOSHPSA-N	311.345	1.052	50	20	DDGD	
O=C(Cc1ccncc1)NN=Cc1ncc(C2OCCO2)s1	773060326	XEIDKIFXAUXGLW-UHFFFAOYSA-N	318.358	1.276	50	20	DDGD	
O=C(NC[C@H]1CCC[C@H]1C1CC1)NNC(=O)c1cccnn1	883690002	ZKVRPPZFFLARGU-NEPJUHHUSA-N	303.366	1.247	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cccc(OC)n2)c(F)c1	773726666	PSEVPAZCQAJRMU-UHFFFAOYSA-N	319.292	1.773	50	20	DDGD	
COc1cc(OCC(=O)NNc2ccccn2)ccc1[N+](=O)[O-]	777473431	IKLQGYQIIQYRLR-UHFFFAOYSA-N	318.289	1.521	50	20	DDGD	
C=CCN1CCC(NC(=O)NNc2ccc(C#N)cn2)CC1	888185958	UZWNNCMNKWYRBL-UHFFFAOYSA-N	300.366	1.230	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1c[nH]nc1-c1ccccc1	883060371	JKZRTQQACHHVGD-UHFFFAOYSA-N	314.345	1.264	50	20	DDGD	
CC[C@@H]1C[C@@H](CC(=O)NNc2ccnc(N(C)C)n2)CCO1	782118920	ZMARMGJDWAGPNZ-NWDGAFQWSA-N	307.398	1.581	50	20	DDGD	
C[C@H](Cc1cccs1)NC(=O)NNC(=O)C1CCOCC1	883124718	NTABQSANCWRUHF-SNVBAGLBSA-N	311.407	1.436	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(C)(C)c1cccc(OC)c1	887152902	AFYCCLPWUSXITB-UHFFFAOYSA-N	302.374	1.924	50	20	DDGD	
CC[C@@H](C)C(=O)NN=C1CCCc2nc(O)c(C(N)=O)cc21	788995874	XUAIGOWVVIABOZ-MRVPVSSYSA-N	304.350	1.089	50	20	DDGD	
CCc1nn(C)c(Cl)c1C(=O)NNc1ncncc1Cl	781830638	XLFNMJCPDFXRRS-UHFFFAOYSA-N	315.164	1.836	50	20	DDGD	
CCOC(=O)N(C)CCCC(=O)NN(C)C(=O)OC(C)(C)C	897964043	CFVBOOCTORPFAY-UHFFFAOYSA-N	317.386	1.753	50	20	DDGD	
CN1CC[C@@H](CNS(=O)(=O)c2ccc(CCl)cc2)C1	388607643	BJKUVPYMYMFCEB-LBPRGKRZSA-N	302.827	1.655	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)c1	787194854	IXFZPUGMLVLRLO-ZJUUUORDSA-N	321.768	1.341	50	20	DDGD	
Cc1nn(C)c(OCC(F)(F)F)c1C=NNC(=O)C(F)F	782235567	TXGZSGNQRIYULY-UHFFFAOYSA-N	314.214	1.385	50	20	DDGD	
COc1ccc(C=NNC(=O)c2ccc(O)c(O)c2)cc1OC	794559010	OHFCPJNNDMWYQH-UHFFFAOYSA-N	316.313	1.879	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCCc3cc(F)ccc32)CC1	790181111	HIBZXRWGUHYQNL-UHFFFAOYSA-N	304.369	1.823	50	20	DDGD	
CN1CCC[C@H]1C(=O)NNC(=O)c1cn(C)c2ccccc12	895521577	JIUXXICXZWJTBC-AWEZNQCLSA-N	300.362	1.034	50	20	DDGD	
CNC(=O)c1ccc(CNC(=O)NCCSSC)cc1	790668497	WJKWMEZPTWAYML-UHFFFAOYSA-N	313.448	1.857	50	20	DDGD	
CCCCNC(=O)NN=Cc1ccc(N(C)CCOC)nc1	790159969	QYEAANREMFWEIW-UHFFFAOYSA-N	307.398	1.597	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H](O)c1cccc(C(F)(F)F)c1	795587256	MCOPXAVGHNXPPF-VIFPVBQESA-N	305.256	1.089	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CSc2ccccc2O)ccn1	790009362	NECBEXBFADZVRP-UHFFFAOYSA-N	317.370	1.649	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)CC(C)C)c(F)c1	790387669	SUMLXRPKWTZBCX-UHFFFAOYSA-N	304.343	1.190	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CCC23CCOCC3)cc1	799872835	ZUKVQACJANOBBG-UHFFFAOYSA-N	315.373	1.996	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2[nH]ccc2C)cc1C	797788598	ZFLWSWQEJFGXBG-UHFFFAOYSA-N	301.346	1.780	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cccc([C@@H]2CCOC2)c1	791262486	WKJDAUAEMCOWNK-CQSZACIVSA-N	323.356	1.990	50	20	DDGD	
CC[C@@H](C)CC[C@@H](O)CC(=O)NNC(=O)Cc1cccnc1	793422661	BVHVMVQUBZIBIE-TZMCWYRMSA-N	307.394	1.349	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ncsc1C(F)(F)F	798305233	VRMOUPXHXWFQRS-UHFFFAOYSA-N	310.326	1.457	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)C3CCCC3)cc2n1C	793029440	STOIGHCSZJEFGJ-UHFFFAOYSA-N	300.362	1.833	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCCCC1)C(C)(C)n1cncn1	794478998	UJOQFXGWLOVSJK-CYBMUJFWSA-N	320.441	1.627	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1nccn(C)c1=O)c1cccnc1	798112265	RSWVMPKPSHRECW-LBPRGKRZSA-N	301.350	1.058	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)c1ccn(CC(F)F)n1	790713758	VCWUCNPUXOJCIW-UHFFFAOYSA-N	318.287	1.848	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccccc1N1CCCC1=O	1319570608	VYUZCOYOELREQA-UHFFFAOYSA-N	315.308	1.499	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccc(NC(=O)OC(C)(C)C)cc1	1324610112	HOPBKTAPUZCMOT-UHFFFAOYSA-N	321.333	1.657	50	20	DDGD	
CC1(NC(=S)NNC(=O)c2n[nH]c3c2CCCC3)CCC1	1328653108	HGQMVXHZQNNGGT-UHFFFAOYSA-N	307.423	1.340	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=S)NCC1CCC1	1325859930	LGOWNPAYJLTZFO-UHFFFAOYSA-N	322.434	1.403	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2cccnc2N(C)C)c1	1323312169	QUFUBDNBHHJKSH-UHFFFAOYSA-N	312.373	1.985	50	20	DDGD	
Cc1nc(N2CCOCC2)sc1C=NNC(=O)C(C)(C)C	1248683774	DDFHHCVVXSGEHK-UHFFFAOYSA-N	310.423	1.784	50	20	DDGD	
Cc1ccc(O)c2c1[C@@H](C)CC2=NNC(=O)N1CCOCC1	1320672795	DFELJSJGIWRMEM-NSHDSACASA-N	303.362	1.954	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@H]1CCCCN1Cc1cccnc1	1320793802	YIYAGLNIGPONLG-MRXNPFEDSA-N	311.389	1.396	50	20	DDGD	
CN(C)Cc1cc(C(=O)NNC(=O)c2ccccc2Cl)no1	1320244593	GRDONCNWHVMPPB-UHFFFAOYSA-N	322.752	1.464	50	20	DDGD	
Cc1nn(C)cc1CCC(=O)NNc1oc(C(C)C)nc1C#N	1322902478	GVQMAEZTZGYOBD-UHFFFAOYSA-N	316.365	1.788	50	20	DDGD	
COCCOc1ccc(Cl)cc1C(=O)NNc1ccn(C)n1	1325745618	LKOSNCGRYAKVFX-UHFFFAOYSA-N	324.768	1.856	50	20	DDGD	
O=C(CCl)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1	1253963277	MMEQUQFHXCMEPD-CYBMUJFWSA-N	310.781	1.450	50	20	DDGD	
C[C@H](OC1CCCCC1)C(=O)NNc1nncc(N)c1Cl	1333507251	GRGPEQFLCORUND-QMMMGPOBSA-N	313.789	1.893	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1cncc(Br)c1	1333996258	YNOKLIYCNWPTPI-LBPRGKRZSA-N	323.194	1.385	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ncoc1[C@H]1CCCO1	1251886497	WLCFDNNENFQCDE-ZCFIWIBFSA-N	307.228	1.240	50	20	DDGD	
CO[C@H]1CCC[C@H]1C(=O)NNC(=O)Cc1c[nH]c2ccccc12	1336783006	CFGHVJBTFLJTSM-HIFRSBDPSA-N	315.373	1.673	50	20	DDGD	
CC[C@@H](F)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	1337152027	PQUPXEXJCULMID-SECBINFHSA-N	305.350	1.187	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1CC(=O)N(C)c2ccccc21	1262345703	VHHDYQAPPZCLHU-ZDUSSCGKSA-N	313.357	1.088	50	20	DDGD	
CCOC(=O)NCCC(=O)OC[C@@]1(C)C[C@H]1Br	1263537509	SDNOPWIZISWIHZ-LDYMZIIASA-N	308.172	1.839	50	20	DDGD	
COc1ncc(C=NNC(=O)CCN2CCC(C)CC2)s1	1347422958	SPGNGWZGDKAUHM-UHFFFAOYSA-N	310.423	1.724	50	20	DDGD	
COCCN(C)NC(=O)CN(CC(C)C)C(=O)OC(C)(C)C	1261293330	IOVDNCZCEZJAAS-UHFFFAOYSA-N	317.430	1.489	50	20	DDGD	
C[C@@]1(COC(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H]1Br	1345266665	QNGZXDLINBNANY-XVKPBYJWSA-N	318.127	1.508	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)c2cccc(C)n2)c(C)n1	1358187000	SCNZMXYSMADAKD-UHFFFAOYSA-N	301.350	1.380	50	20	DDGD	
CCn1cc(C=NNC(=O)CCN2CCC(C)CC2)c(C)n1	1356020804	CVVARXNUUGUTML-UHFFFAOYSA-N	305.426	1.784	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@@H]2CCc3c[nH]nc3C2)ccc1F	1602286601	NFCBCSYIGKFOEI-MRVPVSSYSA-N	318.308	1.495	50	20	DDGD	
CC(C)(NS(=O)(=O)CCl)c1cccc(-c2nn[nH]n2)c1	1603167146	WOJYVNQVKUVEKR-UHFFFAOYSA-N	315.786	1.218	50	20	DDGD	
O=C(Cc1ccsc1)NNC(=O)c1ccc(C(=O)O)cc1F	1601372650	IJKMFOVYHBNVNT-UHFFFAOYSA-N	322.317	1.589	50	20	DDGD	
CCCn1cc(C(=O)NNc2cccc(F)c2C(=O)O)cn1	1609987552	FBRZHYDBNPSGPS-UHFFFAOYSA-N	306.297	1.887	50	20	DDGD	
Cc1ccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)cc1C(=O)O	1607731740	FCQZIXSCNXJMHZ-VIFPVBQESA-N	321.402	1.601	50	20	DDGD	
Cn1cc([C@@H]2C[C@H]2C(=O)NNc2ccccc2C(=O)O)cn1	1608122775	SFYRPVSBANGIOQ-NWDGAFQWSA-N	300.318	1.365	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCC1(C(=O)O)CC1)c1ccccc1	1604868250	FHFQGXXFOSLGKL-LBPRGKRZSA-N	319.361	1.375	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)c1cccc(CC(=O)O)c1	1600590191	SBFOWGHRGPPDFN-UHFFFAOYSA-N	313.313	1.092	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)COCc1ocnc1C(=O)O	1600431061	HBIZLXVNFUSHLE-UHFFFAOYSA-N	323.280	1.480	50	20	DDGD	
O=C(O)c1coc(C=NNC(=O)c2ccc3c(c2)OCO3)c1	1608987236	KCTPGKYPXPQVGE-UHFFFAOYSA-N	302.242	1.470	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21	1606528371	CFNLAQZDDHGXAE-HZSPNIEDSA-N	309.325	1.809	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2ccc(C(=O)O)cc2F)CCN1C	1604677849	YMHRIGYOHIMKAN-KOLCDFICSA-N	324.356	1.633	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1ccsc1C(=O)O	1605632340	GFLBIHPOCXTXPT-DHZHZOJOSA-N	308.359	1.896	50	20	DDGD	
CCOc1ccc(C(=O)NN=CC[C@H](C)C(=O)O)cc1OC	1610039225	JONKYCXKSYCKPX-JTQLQIEISA-N	308.334	1.920	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@H]2CCc3c[nH]nc3C2)c1	1610848266	AMXFCXSEYAVTOM-SECBINFHSA-N	300.318	1.356	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)s1	1549317118	JRYAEQKEFLFOKW-JQWIXIFHSA-N	309.391	1.070	50	20	DDGD	
CC(Cc1ccccc1C)=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549319340	UCQCYOJHRHKQPG-DLBZAZTESA-N	315.417	1.893	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1cccc(O)c1F	1549905455	RNGUBYNWVNSBSM-BXUZGUMPSA-N	321.352	1.235	50	20	DDGD	
Cn1cc(C(=O)NN=C[C@@H]2CCCO[C@@H]2c2cnn(C)c2)cn1	1552449726	OQZNASXNESYARQ-FZMZJTMJSA-N	316.365	1.037	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@@H]2C=NNC(=O)c2ccnnc2)cn1	1552452174	CCHWGLMDHNSSHH-BXUZGUMPSA-N	314.349	1.094	50	20	DDGD	
CCN(C(=O)NC[C@]1(C)C[C@@H]1Br)C1CCNCC1	1577636935	QDGZAMCJPXVQJQ-AAEUAGOBSA-N	318.259	1.943	50	20	DDGD	
O=C(NC[C@@H]1CCCCCN1)NN=c1cc[nH]c2cccnc12	1580648942	RBIVNEGFHRUVKA-LBPRGKRZSA-N	314.393	1.210	50	20	DDGD	
NCCCC(=O)NNC(=O)CCCOc1ccc(F)cc1F	1580289268	OPKLNURBBLKCST-UHFFFAOYSA-N	315.320	1.010	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NNc1ccc(C(=O)O)cc1F	1589814815	INTRNCLDABIEJB-LBPRGKRZSA-N	309.341	1.840	50	20	DDGD	
CCO[C@@H](C(=O)NNc1ccc(C(=O)O)cc1OC)C1CC1	1596761798	FXHJQGDZYBTVFJ-CYBMUJFWSA-N	308.334	1.652	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1c(F)ccc2nc[nH]c12	1595262270	WREDCZGRBYRDKT-UHFFFAOYSA-N	315.264	1.552	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NN=C(C)c1ccc(C(=O)O)c(F)c1	1776102797	YVRMTKPBCBDQME-YPMHNXCESA-N	308.309	1.789	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1cc(C(=O)O)c(Cl)s1	1777033743	IMLRRMMSHYTINS-XVNBXDOJSA-N	320.779	1.856	50	20	DDGD	
COc1ncccc1C=NNC(=O)Nc1ccc(C(=O)O)cc1	1776046057	ZAWAKRJEXWIDAV-UHFFFAOYSA-N	314.301	1.944	50	20	DDGD	
COC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Cl)C2	1793672520	ILHAREWBMONINA-ZIQFBCGOSA-N	320.792	1.442	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2c(C)oc(C)c2C)n1	15758414	VZVIBAGZLBYBKS-UHFFFAOYSA-N	304.350	1.479	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)Cn2cc([N+](=O)[O-])nc2C)c1	150764316	SJRCJORBVQXBFK-UHFFFAOYSA-N	307.285	1.691	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CS(=O)(=O)C(C)(C)C)s1	162646492	NVTNYAJFGRGXKS-UHFFFAOYSA-N	318.420	1.031	50	20	DDGD	
COC(=O)NNC(=O)c1cnn2c(-c3ccccc3)ccnc12	158703629	FSPOZIWKHYGYFR-UHFFFAOYSA-N	311.301	1.397	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2cccc(C)c2C)n1	160391746	NZXUBHSGPLFRGX-UHFFFAOYSA-N	315.377	1.970	50	20	DDGD	
C[C@@H]1OCC[C@@H]1SCC(=O)NNC(=O)c1cccs1	163519215	KYTBLPPYOWNGIF-IUCAKERBSA-N	300.405	1.420	50	20	DDGD	
CCN(CC(=O)NNC(=O)CSc1ccc(C)cc1)C1CC1	151214221	OEQCBSWCZMMIEA-UHFFFAOYSA-N	321.446	1.719	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1n[nH]c(=O)c2ccccc12	6173901	RNYUWCOMRBHDNM-UHFFFAOYSA-N	314.345	1.264	50	20	DDGD	
O=C(NNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1cccnc1	154772865	BGCZBBCFPXSPMQ-UHFFFAOYSA-N	320.692	1.718	50	20	DDGD	
CCSCc1cc(C(=O)NNC(=O)NC2CCCC2)no1	274522966	XACVTBFUOOJJIJ-UHFFFAOYSA-N	312.395	1.814	50	20	DDGD	
Cc1ccc(-n2nnc(C(=O)NNc3ncccn3)c2C)cc1	56099310	ZDVRSLRGGHQPFW-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CC[C@H]2CCCO2)cc1	55707883	YKSMLWQQXOJLCG-OAHLLOKOSA-N	320.389	1.734	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Cc1cccc(F)c1	53604440	BLXJTHYZBXOLST-UHFFFAOYSA-N	316.332	1.767	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NNC(=O)c1ccc(Cl)cc1F	175829169	JXFIHYXBTLKZGG-KOLCDFICSA-N	300.717	1.665	50	20	DDGD	
CCO[C@H](CC)C(=O)NNC(=O)Cn1ccc2ccccc21	104632768	YJXWQYSMLSJMNH-CQSZACIVSA-N	303.362	1.604	50	20	DDGD	
COc1cccc([C@H](C)CC(=O)NNC(=O)c2ccc[nH]2)c1	177566868	RLYTYYOFOKABRU-LLVKDONJSA-N	301.346	1.978	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CC[C@@H]2CCOC2)cc1	175874240	GQVODQDKZOGFAT-CYBMUJFWSA-N	305.378	1.371	50	20	DDGD	
Cc1ccc(NNC(=O)NCCOc2ccccc2C)nn1	171556486	XYUXTWJHDGJMHD-UHFFFAOYSA-N	301.350	1.799	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)CN(C)C)c1	171178067	CNRPEVGWYBSCLV-UHFFFAOYSA-N	307.394	1.206	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCCC2)Nc1cccc(B(O)O)c1	404929145	BQNPNKOUWQTSRY-UHFFFAOYSA-N	309.174	1.426	50	20	DDGD	
O=C(CCc1ccoc1)NNC(=O)c1cccc([N+](=O)[O-])c1	177036568	HUMRPMSKSPBBLH-UHFFFAOYSA-N	303.274	1.582	50	20	DDGD	
CC1CCN([C@H](C)CNC(=O)NNC(=O)c2ccccc2)CC1	67706234	ISZHNWLRSGDESV-CQSZACIVSA-N	318.421	1.751	50	20	DDGD	
CS(=O)(=O)N1CCC[C@@H]1C(=O)NNc1ccccc1Cl	171963351	GUCJWSRPNPBUNK-LLVKDONJSA-N	317.798	1.207	50	20	DDGD	
CCOc1ccccc1C(=O)NNC(=O)NCc1ccco1	65176593	WUGHGEZHIQPYHF-UHFFFAOYSA-N	303.318	1.823	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)Cc2cnn(C)c2)c1C	171242928	ULSPQKSIWJUVFM-UHFFFAOYSA-N	317.418	1.597	50	20	DDGD	
CCCN(CC)CCNC(=O)NNC(=O)Cc1ccc(F)cc1	175775477	CDPGPYKPXYITSH-UHFFFAOYSA-N	324.400	1.431	50	20	DDGD	
Cc1ccc(O)c(C(=O)NNC(=O)Cc2ccccc2F)c1	66784551	LKLHYRSQOUJCIT-UHFFFAOYSA-N	302.305	1.843	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@](C)(O)[C@@H](C)c2ccccc2)n1	174973628	BAZJZHGGORVMNB-ZBEGNZNMSA-N	316.361	1.483	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1cccnc1)c1cccc(F)c1	172978454	GSCKOMBNQOLRIX-NSHDSACASA-N	301.321	1.714	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(Br)s1	28633854	JCYPXWIDKFCNEI-LURJTMIESA-N	319.180	1.451	50	20	DDGD	
COc1ccc2[nH]cc(CC(=O)NNc3cc(C)ncn3)c2c1	172281926	SNRMTYVKQUNVQI-UHFFFAOYSA-N	311.345	1.961	50	20	DDGD	
CCCN1CC[C@@H](CNC(=O)NNC(=O)c2ccc(C)o2)C1	176444102	DPLPDFDUFMQXFU-LBPRGKRZSA-N	308.382	1.264	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@H](c1ccccc1)C1CC1	121763609	JARWOTCLBMHDRK-UONOGXRCSA-N	303.362	1.647	50	20	DDGD	
O=C(NNC(=O)c1ncccc1O)c1cc(-c2ccccc2)n[nH]1	171238714	GWKPIGLNGMLFBF-UHFFFAOYSA-N	323.312	1.252	50	20	DDGD	
CCNC(=O)CNC(=O)/C(C#N)=C/c1ccc(OCC)cc1	120823196	XQGAQKGHHHRVRZ-UKTHLTGXSA-N	301.346	1.245	50	20	DDGD	
O=C(CSCC(F)(F)F)NNc1ncccc1[N+](=O)[O-]	121682949	ZWXOLBBOIPRPDS-UHFFFAOYSA-N	310.257	1.728	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCc2ccccn2)cc1	120155004	FGHRJDPECYDVLJ-UHFFFAOYSA-N	314.345	1.299	50	20	DDGD	
CN(CCCNS(=O)(=O)CBr)c1ccccc1	126645360	PBHXCGNXTFKQTE-UHFFFAOYSA-N	321.240	1.785	50	20	DDGD	
CCCN(CCC)C(=O)CCCC(=O)NNc1cccnn1	77030634	BRYXBCLUNFVIKQ-UHFFFAOYSA-N	307.398	1.739	50	20	DDGD	
CCOC[C@@H]1CCCN(CC(=O)NNC(=O)c2ccccc2)C1	72977259	APKYZWFVQNEIKN-CQSZACIVSA-N	319.405	1.196	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc(COC(C)(C)C)on1	184866142	YMLIFWIIIZIUNI-UHFFFAOYSA-N	320.349	1.403	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NNC(=O)C(C)(C)C	77708753	KPIYYWLHAVRRKC-UHFFFAOYSA-N	315.351	1.259	50	20	DDGD	
CCN(C)[C@H](C(=O)NNc1ncc(F)cn1)c1ccccc1	123129570	OYLNUDFPTJIYGU-ZDUSSCGKSA-N	303.341	1.752	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(C)ccc1-n1c(C)ccc1C	124898103	PWXOWTQVXTXBMJ-UHFFFAOYSA-N	300.362	1.976	50	20	DDGD	
Cc1ccc(OCCCNC(=O)NNc2cccnn2)cc1	77659632	JEFYWJNRJKKNBZ-UHFFFAOYSA-N	301.350	1.880	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	125932488	BAVJLWACVANSMS-INIZCTEOSA-N	316.361	1.184	50	20	DDGD	
CCCOc1ccccc1NC(=O)NNC(=O)c1cnn(C)c1	183008995	XRFRHPZVHUZVIK-UHFFFAOYSA-N	317.349	1.675	50	20	DDGD	
COc1cccc(C(=O)NCC(=O)NNc2ccccc2F)c1	184089865	ZLDIDZWNKMJQOT-UHFFFAOYSA-N	317.320	1.707	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)CC2CCCC2)cc1OC(F)F	186416647	LQRKDIFCTYYMGV-UHFFFAOYSA-N	316.308	1.363	50	20	DDGD	
O=C(NNc1nc2ccccc2c(=O)[nH]1)[C@H]1COc2ccccc21	137158117	JZEBTCZFWDJKEP-LBPRGKRZSA-N	322.324	1.542	50	20	DDGD	
O=C(CCCn1cncn1)NNc1ncnc2ccsc12	132383994	SNMGATJCWALAKW-UHFFFAOYSA-N	303.351	1.206	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2ccc(F)c(C)c2)nc(C)n1	130461662	YVRGLBSBVQZYBG-UHFFFAOYSA-N	317.324	1.623	50	20	DDGD	
COCc1cc(C(=O)NNc2ccc(C(F)(F)F)cn2)no1	132005550	RPJBYWGIZFVNDD-UHFFFAOYSA-N	316.239	1.992	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(C2CC2)nn1-c1ccccc1	139233975	CLVMRQAVKJMKKU-UHFFFAOYSA-N	313.361	1.714	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)Cc1ccc(O)cc1	133888258	KDKSIBLAQBCXPK-UHFFFAOYSA-N	314.341	1.299	50	20	DDGD	
CCNC(=O)NNC(=O)CCc1ccccc1Br	49183209	JLISESKXGNMPGT-UHFFFAOYSA-N	314.183	1.732	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)nc1C	193288775	COHBVCFCWMZMGE-ZETCQYMHSA-N	312.757	1.175	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C[C@@H](C)[C@@H]2CCCNC2)n1	237304573	YKLQEPPSOOYBFU-ZYHUDNBSSA-N	307.398	1.263	50	20	DDGD	
O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1ccc(F)cc1	254519519	IKNQUTUPPLYGLS-UHFFFAOYSA-N	324.319	1.630	50	20	DDGD	
COc1ccc(OCC(=O)NNc2nc(C)cc(OC)n2)cc1	266903865	HYMNPQFDGSEVCD-UHFFFAOYSA-N	318.333	1.324	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)NC2CCCCC2)o1	269290045	TZVAJFBXCZYMBM-UHFFFAOYSA-N	309.322	1.343	50	20	DDGD	
CNC(=O)NNC(=O)CSCC(=O)c1ccc(Cl)cc1	267037382	SWNIHMMWAUOLIO-UHFFFAOYSA-N	315.782	1.216	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CCc1nnc(C(C)C)o1	266948122	UJHRFMYGPXQUBJ-UHFFFAOYSA-N	316.361	1.895	50	20	DDGD	
CC(=O)NNC(=O)Nc1cccc2c1CN(c1ccccn1)C2	368135572	PVUQLHSZAXUWMY-UHFFFAOYSA-N	311.345	1.774	50	20	DDGD	
O=C1CCc2ccc(NC(=O)NNC(=O)C3CCC3)cc2N1	272796014	GYTZRUVLNIXRSO-UHFFFAOYSA-N	302.334	1.524	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccc(F)cc1OC(F)F	273266085	YWLOPGTUXDRORB-UHFFFAOYSA-N	303.240	1.990	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(C(=O)OC)cc1OC	275489780	WFAMYSWSJNZEHC-PKNBQFBNSA-N	304.302	1.864	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1c(-c2ccncc2)noc1C	272712779	YEYJULIAZWOECW-UHFFFAOYSA-N	303.322	1.351	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H]1CCCOCC1	271877474	HSWKMVZEHTURAD-LLVKDONJSA-N	307.350	1.208	50	20	DDGD	
COC(=O)NNC(=O)CCCOc1ccc(C(C)=O)cc1OC	274302955	RCDWKBIAKRUTII-UHFFFAOYSA-N	324.333	1.444	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2CC(C)(C)OC2(C)C)n1	272530472	FLCRBVIOHPGCGR-SECBINFHSA-N	309.370	1.457	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(C#N)cc1)n1nnnc1C(C)(C)C	273522402	YUARZYSELTXFCM-SNVBAGLBSA-N	313.365	1.547	50	20	DDGD	
CCSCc1cc(C(=O)NNc2nc(C)cc(OC)n2)no1	274481965	BGPNEEZXIAGQRK-UHFFFAOYSA-N	323.378	1.792	50	20	DDGD	
Cc1c(NNC(=O)NCCOCC(F)F)cccc1[N+](=O)[O-]	276461442	MYPWVCSLQVNFSD-UHFFFAOYSA-N	318.280	1.811	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C)cnc1Cl	276377999	NYNBQXNOYDERIY-MRVPVSSYSA-N	312.757	1.175	50	20	DDGD	
CCn1cc(CNC(=O)NNC(=O)c2ccccc2OC)cn1	286854877	XNWBHRDORBNBMU-UHFFFAOYSA-N	317.349	1.056	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3C2)n1	373752561	OSDMTNJIJWJZCL-ZDUSSCGKSA-N	311.341	1.402	50	20	DDGD	
CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NN(C)c1ccccc1	289566179	PZVQANIYMCKTLA-ZDUSSCGKSA-N	323.393	1.694	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1)C1CC1	288612775	ZPRLJTITIFZXOO-CQSZACIVSA-N	320.374	1.060	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncccn1)[C@H](c1ccccc1)N(C)C	287967004	JCQJZBGVWVBDCA-TZMCWYRMSA-N	314.393	1.794	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2nc(C3CCC3)cs2)[nH]n1	283033407	PHUHKYIZWSBFLG-UHFFFAOYSA-N	320.378	1.909	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc2c(c1)CCCC2	295349398	INOXEJKKJAZELH-OAHLLOKOSA-N	302.374	1.896	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2cc(C(=O)O)c(C)[nH]2)c(O)c1	800810452	OIRYFDXLZKGQCG-UHFFFAOYSA-N	301.302	1.799	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC([C@H]2NC(=O)C2(C)C)CC1	294673857	JGDJDLLTNUKBSH-RSKUSDAESA-N	305.378	1.194	50	20	DDGD	
CCOC(=O)c1cc(C(=O)NNc2ncccc2C)[nH]c1C	295663704	IMGZYHULYXVPRB-UHFFFAOYSA-N	302.334	1.960	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)co1	802122257	HZDQYTLMBGPTHZ-UHFFFAOYSA-N	317.349	1.770	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@H]1CCN(c2ccccc2F)C1	293268622	GKUZYFLUSSOUNU-NSHDSACASA-N	322.384	1.781	50	20	DDGD	
Cc1c(CC(=O)NNc2nc(C(F)(F)F)cs2)cnn1C	295093318	JOSXEVPRAPNSIG-UHFFFAOYSA-N	319.312	1.890	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@]12CCc1ccccc12)[C@@H]1CCCO1	292164545	OWYHENIHXYGTQW-ZQIUZPCESA-N	300.358	1.217	50	20	DDGD	
COCCCNC(=O)NNC(=O)/C=C/Sc1ccccc1	299241847	KYWSDIZENKUOOR-DHZHZOJOSA-N	309.391	1.659	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Nc1ccc2c(c1)OCO2)c1ccco1	802106114	RVZTXCHAHFZTTF-SECBINFHSA-N	317.301	1.965	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c2n[nH]cc2c1	293887882	KHBAXIDTLAVDSQ-CABZTGNLSA-N	302.334	1.200	50	20	DDGD	
CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1ccc[nH]1	299477876	JCBOCLJQZSCKSG-LBPRGKRZSA-N	320.393	1.203	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC(=O)c2ccccc21)c1ccccc1O	806345357	VFPZRYCTESARQA-CYBMUJFWSA-N	324.336	1.914	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@]2(C)CCCOC2)cc1	802122462	PVDVMRLUCXGKFP-MRXNPFEDSA-N	320.393	1.722	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2cc(Cl)ccc2[N+](=O)[O-])n1	296244296	WNLNTFYDSFZEQA-UHFFFAOYSA-N	324.728	1.925	50	20	DDGD	
CCc1ccc([C@@H](O)CNC(=O)NNC(=O)C2CCCC2)cc1	805351025	BHNCJRODPOMMNK-HNNXBMFYSA-N	319.405	1.803	50	20	DDGD	
Cc1ccccc1-n1cc(C=NNC(=O)Cc2ccncc2)nn1	807974804	UZXAJYLFOBUKSA-UHFFFAOYSA-N	320.356	1.664	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2oc(C)nc2C)cc1	802053538	VLQDKEYVIZCFIW-UHFFFAOYSA-N	304.306	1.767	50	20	DDGD	
COCC(C)(C)CNC(=O)NNC(=O)c1cccc(Cl)c1	291745669	JQTNBGLVBMCRBP-UHFFFAOYSA-N	313.785	1.957	50	20	DDGD	
Cc1ccc(C(F)(F)C(=O)NNC(=O)[C@@H]2CCCCO2)cc1	295271578	BVNUTNFPXGSJMW-LBPRGKRZSA-N	312.316	1.803	50	20	DDGD	
CCn1cc(-c2n[nH]cc2C(=O)NNc2ncccc2F)cn1	804218054	NYVGWZIEWGVKEL-UHFFFAOYSA-N	315.312	1.584	50	20	DDGD	
CCn1cc(C#N)c(=O)n(CCO[Si](C)(C)C(C)(C)C)c1=O	294151268	HLCLZZOJSCOQKW-UHFFFAOYSA-N	323.469	1.923	50	20	DDGD	
CC(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CC2CC2)c1	819136271	QCPOBMPFBQPNCE-UHFFFAOYSA-N	324.402	1.430	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)c1cc(Cl)ccc1O	812454876	SDCOCZAOFKXSLK-BDAKNGLRSA-N	314.769	1.725	50	20	DDGD	
COc1cccc(O)c1C=NNC(=O)COc1ccccc1O	814952247	RCKMKRGTGJWWGB-UHFFFAOYSA-N	316.313	1.636	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)c2c(Br)nnn2C)c1	810682428	CSYUNFXEHPSWAE-UHFFFAOYSA-N	324.182	1.951	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1ccc(F)cc1N(C)C	814954064	VACCSPJNCRUYSX-UHFFFAOYSA-N	303.341	1.698	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2ncn(C)n2)cc1C	810564284	FQAFODHDMUPDMY-UHFFFAOYSA-N	304.379	1.063	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1	816562327	HLYHCJGXEQQORG-UHFFFAOYSA-N	315.377	1.572	50	20	DDGD	
CO[C@@](C)(C=NNC(=O)C(=O)Nc1ccc(C)cc1)C1CC1	814768219	NGWDQHDUSGBOMN-INIZCTEOSA-N	303.362	1.851	50	20	DDGD	
CN(C)CC(=O)NN=C1C(=O)Nc2ccc(-c3ccccc3)cc21	727648007	RJCZBFPUUWNIGE-UHFFFAOYSA-N	322.368	1.688	50	20	DDGD	
COC(=O)c1ccc(CN(C)S(=O)(=O)CCCCl)cc1	726868267	QZNRQCQJARFCCN-UHFFFAOYSA-N	319.810	1.864	50	20	DDGD	
CCc1nn(C)c(OC)c1C=NNC(=O)Cc1ccccc1F	814843092	KUJHAEIATPTBLS-UHFFFAOYSA-N	318.352	1.823	50	20	DDGD	
C=CCOCC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	729301155	BIVSXMJCECCZCI-SNVBAGLBSA-N	308.403	1.837	50	20	DDGD	
CS(=O)(=O)CCCCNC(=O)NNc1cccc(C#N)c1	824749269	XBIICLBUMAEGOY-UHFFFAOYSA-N	310.379	1.009	50	20	DDGD	
C#CCN1CCC(C(=O)OC[C@@H](C)CBr)CC1	490842051	YDFJVTMNGJXZJD-NSHDSACASA-N	302.212	1.906	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@@]1(c2ccccc2)CC1(C)C	824397985	DKKTVAZOGVQQOV-QGZVFWFLSA-N	319.405	1.721	50	20	DDGD	
COC1([C@@H](C)NC(=O)NNC(=O)OC(C)(C)C)CCOCC1	496390568	ASJAZXGITJUIOB-SNVBAGLBSA-N	317.386	1.309	50	20	DDGD	
COc1ccc2c(c1)CCCC2=NNC(=O)C(=O)NC1CC1	725852235	JKEQUZPIMYFABL-UHFFFAOYSA-N	301.346	1.130	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=C1CCO[C@@H](C)C1	496783505	FRQMEIJEZJEQPK-WCQYABFASA-N	323.393	1.574	50	20	DDGD	
Cc1cc(C)c(NNC(=O)N[C@@H]2CCC(=O)N(C)C2=O)c(C)c1	824787776	CRNTUEQFAJNCPY-GFCCVEGCSA-N	318.377	1.385	50	20	DDGD	
CC(C)NC(=O)NNC(=O)C[C@H](n1cccn1)C(F)(F)F	824404496	RDPQNJBCVOHKQD-QMMMGPOBSA-N	307.276	1.115	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NC(C1CCC1)C1CCC1	826783702	GDDWCLSWYVIXRU-ZWNOBZJWSA-N	309.410	1.711	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1CC(=NNC(=O)CO)c2ccccc21	495186906	GMXAVQZKMCYGJH-LBPRGKRZSA-N	319.361	1.469	50	20	DDGD	
CCCCNC(=O)NNC(=O)C1(NC(=O)OC(C)(C)C)CC1	493404685	FWRWPJPDISXECZ-UHFFFAOYSA-N	314.386	1.174	50	20	DDGD	
CCn1nncc1/C=C(/C#N)C(=O)N(CC(F)(F)F)C1CC1	491135795	UWCFNDWZQMRWRA-UITAMQMPSA-N	313.283	1.758	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H]2C[C@H](C(=O)OC)C2)cc1	824177142	LZSHWCCSQZXEOM-JOCQHMNTSA-N	319.361	1.145	50	20	DDGD	
CCCCC[C@H](O)C(=O)NNC(=O)c1ccc2ccccc2n1	822114901	MRJXOQUCPKDFHT-HNNXBMFYSA-N	315.373	1.937	50	20	DDGD	
O=C(N[C@H](c1ccccn1)C1CCCC1)c1cccc(B(O)O)c1	584955676	VIHJJYALZSFYEO-KRWDZBQOSA-N	324.189	1.423	50	20	DDGD	
CCO/C=C\C(=O)NNC(=O)c1ccc(OCC)c(OC)c1	493357712	SPRARMCBRBOPGT-HJWRWDBZSA-N	308.334	1.405	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1ccc(N2CCOCC2)c(F)c1	727649368	IZAZAASUACFRQP-UHFFFAOYSA-N	322.384	1.064	50	20	DDGD	
COc1ccc([C@H]2CCCN2CC(=O)NNC(=O)C(C)C)cc1	827355237	XVTLVIAVNHVSQW-OAHLLOKOSA-N	319.405	1.636	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCN1C1CCCC1)c1ccncc1	823533273	JIIFSOFSKIVGFF-HNNXBMFYSA-N	316.405	1.640	50	20	DDGD	
Cn1cc(-c2nc(C(=O)NNc3cccnn3)cs2)cn1	736697285	DHPNDTNJMIEUDT-UHFFFAOYSA-N	301.335	1.091	50	20	DDGD	
CCCCn1ncc(C(=O)Nc2cccc(B(O)O)c2)c1CC	584913982	NDTARRGUOMMJTH-UHFFFAOYSA-N	315.182	1.178	50	20	DDGD	
Cc1ccc(C(=O)NNC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)cc1O	905539783	ZPWQPRMQKWUONA-GVXVVHGQSA-N	319.430	1.998	50	20	DDGD	
CCc1cccc2c1NC(=O)C2=NNC(=O)NCc1ccco1	733076277	JYIOBHSEIVDZBB-UHFFFAOYSA-N	312.329	1.998	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H]1C(=O)O)c1cc2ccccc2cc1O	739454534	SEOXJVCYPXXUSM-QWRGUYRKSA-N	314.297	1.027	50	20	DDGD	
CN(C/C=C/C(=O)NNc1ncncc1Cl)CC(F)(F)F	492837433	XVIHXKDJSOVKIY-NSCUHMNNSA-N	323.706	1.623	50	20	DDGD	
O=S(=O)(CBr)N[C@@H](c1ccncc1)C1CC1	908391520	ZLLWBGBNWYVHOF-SNVBAGLBSA-N	305.197	1.805	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)C1CCOCC1)c1cccs1	905568878	PETPZXXJPXECAC-VIFPVBQESA-N	313.448	1.731	50	20	DDGD	
O=C(NCCn1cnc2ccccc21)NNC(=O)C1CCC1	732595760	XDMVUYKANWRENL-UHFFFAOYSA-N	301.350	1.167	50	20	DDGD	
CC(C)(C)C(=O)Nc1ccccc1C(=O)N1CC[C@@H](B(O)O)C1	585072411	MUGJPHNCANWLMJ-LLVKDONJSA-N	318.182	1.360	50	20	DDGD	
O=S(=O)(CCl)N1CC(OCCCc2ccccc2)C1	830779708	WACKOWMQLAGBTK-UHFFFAOYSA-N	303.811	1.846	50	20	DDGD	
C[C@H](Oc1cccnc1)C(=O)NNC(=S)NCC1CCC1	735521235	KNWSASFADJUJJP-JTQLQIEISA-N	308.407	1.144	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)C=C1CCCC1	495393023	JPJZTHYPIFHAGS-UHFFFAOYSA-N	311.382	1.549	50	20	DDGD	
O=C(NCB(O)O)c1ccc(-c2ccc(Cl)cc2)cc1F	585060819	ZKUDDGCSHNCDTR-UHFFFAOYSA-N	307.517	1.888	50	20	DDGD	
CCO[C@@H](CC(=O)Nc1cccc(B(O)O)c1)C1=CCCC1	584910540	CEVPUZFYFIIEII-HNNXBMFYSA-N	303.167	1.210	50	20	DDGD	
C[C@](C#N)(NC(=O)c1cc(B(O)O)ccc1F)C1CCCCC1	584947217	IZGGYBCIRVISAV-MRXNPFEDSA-N	318.157	1.098	50	20	DDGD	
Cc1nn(C(C)(C)C)cc1[C@@H](C)NCc1ccc(B(O)O)o1	585036823	PVQYANYVTQQBOU-SNVBAGLBSA-N	305.187	1.070	50	20	DDGD	
CCS(=O)(=O)CC(C)=NNC(=O)c1ccc(Cl)nc1	733746871	FWMQPIBGIWKFDI-UHFFFAOYSA-N	303.771	1.275	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCC2(C(=O)O)CCCC2)c(C)o1	832864676	RBYXPSATZKJTMQ-UHFFFAOYSA-N	323.349	1.485	50	20	DDGD	
CCC(CC)NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c1cnn(C)c1	837968887	HIXNGYDECAGNST-DELQEKLWSA-N	318.377	1.564	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=Cc1cnc2n1CCOC2	905422555	PXCJUFJUMWFGDZ-UHFFFAOYSA-N	324.344	1.133	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2cccc(C#N)c2)C[C@@H]1Br	906565788	JIJXGQSMYAZMHX-GXFFZTMASA-N	322.162	1.493	50	20	DDGD	
CCCNC(=O)OC[C@@H]1CCCCN1S(=O)(=O)CCl	831534855	SEEUXKUVGUOJEE-JTQLQIEISA-N	312.819	1.503	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ccccc1C(=O)O)N1CCCC1=O	833465243	IWCQZFRNBIJFAP-CQSZACIVSA-N	319.361	1.475	50	20	DDGD	
Cc1ccccc1C(=O)NN[C@@H](C(=O)O)c1ccc(C#N)cc1	738757082	VGPHTWJUMXYCBJ-OAHLLOKOSA-N	309.325	1.927	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)C[C@@H]2CCOC2)o1	739705376	GYEXEKREVRKTCP-LBPRGKRZSA-N	323.393	1.309	50	20	DDGD	
CN1CCN(CCCCNC(=O)NNc2ccc(F)cc2)CC1	737064006	AZMLKAHTVQSTAI-UHFFFAOYSA-N	323.416	1.479	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)c1F	837060806	FTCOXHYDRDZRHF-IGJMFERPSA-N	310.325	1.869	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)C1(OCc2ccccc2)CCOCC1	910161338	XCIIKJJAOCZRDX-CQSZACIVSA-N	322.405	1.096	50	20	DDGD	
CC(=O)N[C@H]1Cc2ccccc2N(S(=O)(=O)CCl)C1	830923374	BJZRPZQPLJYMQS-NSHDSACASA-N	302.783	1.080	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)NNc1cccc(Br)c1	748021593	FOCINVZQAKDGHZ-UHFFFAOYSA-N	314.183	1.807	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)c1cc(Cl)ccc1O	749764911	XPEIZTZFLNSFEW-ZETCQYMHSA-N	301.799	1.953	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H]1CCOC2(CCC2)C1)C1CC1	912159312	FYMOULGKYWBYCC-JQWIXIFHSA-N	311.451	1.630	50	20	DDGD	
C[C@@H]1O[C@H](C)C[C@@H]1CNC(=O)NNc1nc2ccccn2n1	840434697	SDWMDHJXGBJPSU-OUAUKWLOSA-N	304.354	1.169	50	20	DDGD	
CC(C)C[C@H](CN)NC(=O)NNC(=O)CCOc1ccccc1	841953464	IQSQTTQESZMPAO-CYBMUJFWSA-N	322.409	1.159	50	20	DDGD	
C[C@]1(C(=O)N2C[C@H]3C[C@@H](O)CC[C@H]3C2)C[C@H]1Br	910468536	FKBOPBXNRVTAAL-UGCHFJIKSA-N	302.212	1.779	50	20	DDGD	
CO[C@H](C=NNC(=O)c1cccc(N(C)C)c1)[C@@H]1CCOC1	841610163	ZVWQSOHWEWBDAC-UKRRQHHQSA-N	305.378	1.520	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(F)cc(Cl)c1O	843978996	LQCHJUOHTVGXQX-XPUUQOCRSA-N	316.716	1.371	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COCC[C@@H]1c1ccccc1)NC1CC1	841383765	MTTRNQKANXUFEO-ZIAGYGMSSA-N	303.362	1.300	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNc1ccc(C(F)(F)F)cn1	845955834	STBFSHGREXPMPD-UHFFFAOYSA-N	318.299	1.706	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)CC(F)(F)F)c2ccccn12	741280789	YDAHEFBFKKDJCJ-UHFFFAOYSA-N	300.240	1.356	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)CN1CCCC1=O)c1cccc(F)c1	913730678	FAPJQBOLAHJIHQ-LLVKDONJSA-N	321.352	1.089	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)C1)c1ccc(Cl)cc1F	747644005	UXRBCAJFADRYOQ-UHFFFAOYSA-N	304.730	1.383	50	20	DDGD	
C[C@@H](Cc1ccncc1)NC(=O)NNC(=O)CC(F)(F)F	749620790	ORFXFMXITLQDSO-QMMMGPOBSA-N	304.272	1.295	50	20	DDGD	
O=C(O)CCCCCNC(=O)NNc1cccc([N+](=O)[O-])c1	840992114	JJMSTBOPGWPGOP-UHFFFAOYSA-N	310.310	1.866	50	20	DDGD	
O=C(NN=C1CSCc2ccccc21)[C@@H]1CCS(=O)(=O)C1	915957196	GWWXHSLOWGLZND-LLVKDONJSA-N	324.427	1.188	50	20	DDGD	
COC(=O)[C@H](CNC(=O)[C@]1(C)C[C@@H]1Br)CC1CC1	911889332	HRUBSXFIXOSZOS-OUJBWJOFSA-N	318.211	1.865	50	20	DDGD	
COc1ccc(O)c(C=NNC(=O)Cn2cnc3ccccc32)c1	916274127	JJSMQMAVPPTAMH-UHFFFAOYSA-N	324.340	1.901	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)OCc2cc3n(n2)CCCC3)cn1	845169211	JBXZAFHUNVEYTK-AWNIVKPZSA-N	311.345	1.603	50	20	DDGD	
CO[C@@H](C(=O)Nc1cccc(NC(=O)NN(C)C)c1)C(C)C	843870455	UTLYTWQEAJGJIT-CYBMUJFWSA-N	308.382	1.894	50	20	DDGD	
CC(C)Oc1ncc(C(=O)NN(C)C[C@H](C)O)cc1Cl	910171442	WVXJEINDNXALQZ-VIFPVBQESA-N	301.774	1.480	50	20	DDGD	
CCC(=NNC(=O)Cc1cn2ccccc2n1)[C@H]1CCOC1	747638141	MHYHCBZQKJCLFQ-LBPRGKRZSA-N	300.362	1.796	50	20	DDGD	
CCNCCCNC(=O)NNC(=O)Cc1ccc(Cl)cc1	841917672	LTUFCXDMGFJQEV-UHFFFAOYSA-N	312.801	1.213	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)c1ccccc1)[C@H]1CC1(C)C	842168513	XBAHZQYEFUWMDJ-KGLIPLIRSA-N	303.406	1.862	50	20	DDGD	
Cc1ccc2c(CC(=O)NNC(=O)[C@H]3CCO[C@@H]3C)c[nH]c2c1	843647312	MAUVDNDDUDESLT-YPMHNXCESA-N	315.373	1.591	50	20	DDGD	
CCC/C=C\C(=O)NNC(=O)COc1ccccc1OCC	920407830	HQDIBJWFTYRDBG-WDZFZDKYSA-N	306.362	1.968	50	20	DDGD	
COCCNCCNC(=O)NNc1cccc(Cl)c1Cl	841968424	QQCGHJCRFUOPLY-UHFFFAOYSA-N	321.208	1.856	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)Cn1nc(C)cc1C)[C@H]1CC1(C)C	842188935	AABFDDGTLMJQFK-CHWSQXEVSA-N	321.425	1.655	50	20	DDGD	
O=C1CSC[C@@H](C(=O)OC[C@@H](CBr)C2CC2)N1	923927443	RTPHRHSJRZDOJD-BDAKNGLRSA-N	322.224	1.182	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(-c3nnc(C)o3)cc2)ncn1	759090491	QDPFSCOSQNIVNA-UHFFFAOYSA-N	310.317	1.900	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NC[C@]1(C)C[C@H]1Br	857386490	VMHDCYSQKKJINQ-LNLATYFQSA-N	305.216	1.424	50	20	DDGD	
Cc1ccc([C@H]2COCCN2C(=O)NNC(=O)C2CCCC2)o1	753337580	XYNJZQXQOOWLSY-CYBMUJFWSA-N	321.377	1.892	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccc[nH]2)c(OC)c1	755404235	JZXBZUDQJODPMT-UHFFFAOYSA-N	304.306	1.498	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)NC/C=C/CO)c1C	855404153	QNCLQFOWHXTGRQ-MROGMESDSA-N	317.389	1.323	50	20	DDGD	
CCOC(=O)CC(C)(C)CC(=O)NNc1ncc(Cl)cn1	857357990	KUTNDVZHXQGVDD-UHFFFAOYSA-N	314.773	1.943	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)N[C@H](C)C2CC2)c2n[nH]cc2c1	855100360	ADAOYVLSBHMWHD-SECBINFHSA-N	317.418	1.779	50	20	DDGD	
C[C@]1(CNC(=O)N2C[C@@H]3[C@@H](CO)[C@@H]3C2)C[C@H]1Br	856957224	BLLHWTMACRAEDR-KZFLBEFCSA-N	303.200	1.040	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)CCOC1	755645326	FMBOKQSAZOFSKE-AWEZNQCLSA-N	320.374	1.326	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccccc1C(=O)N1CCCC1	755531765	IYKYWFLVJVFBHK-UHFFFAOYSA-N	304.350	1.485	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1	858285293	VUDXRJJPTGKGFZ-GHMZBOCLSA-N	310.423	1.483	50	20	DDGD	
CCc1ccc(C#CC(=O)NNC(=O)C2CCOCC2)cc1	923060460	GOQBAPRVHGCESC-UHFFFAOYSA-N	300.358	1.175	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNc1ccc(C)c(C(=O)OC)c1	857264128	OFWGQUSJUSUMIN-LBPRGKRZSA-N	322.361	1.814	50	20	DDGD	
C[C@@H]1Cc2cc(C(=O)NNc3ccnc(N(C)C)n3)ccc2O1	857133069	SVDAYWRAYQHTAO-SNVBAGLBSA-N	313.361	1.623	50	20	DDGD	
C=CCCn1cc(C=NNC(=O)CCc2ccccc2O)nn1	853304571	RYCVVHSAMUAUCR-UHFFFAOYSA-N	313.361	1.643	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1[C@@H]2CCC[C@@H]2C1(C)C	853278716	GYHGJLUURLSJGC-MCIONIFRSA-N	307.438	1.883	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)C2(OC)CCCC2)n1	754256780	XIFSWRJQAAIJIJ-UHFFFAOYSA-N	307.398	1.725	50	20	DDGD	
O=C(NCC[C@@H]1CCCCO1)NNC(=O)c1cccc(F)n1	852248039	BBSKJUMYJIMKCU-JTQLQIEISA-N	310.329	1.124	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CCCN(CCc2ccccc2)C1	854214329	IOADIRSZCDVTNZ-MRXNPFEDSA-N	317.433	1.745	50	20	DDGD	
CCOC(=O)C[C@H](O)COC(=O)/C(C#N)=C\c1ccc(O)cc1	859580059	IDBDOLJPXRASAC-VDBIKXPHSA-N	319.313	1.156	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1cc(F)c(F)c(F)c1	756710535	YJYPHSGVBIJCCB-UHFFFAOYSA-N	313.239	1.602	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)cs1)C(=O)Nc1ccccn1	757987608	UNPXSFOOPCSPDD-UHFFFAOYSA-N	324.749	1.196	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)c2cccc(F)n2)nn1C	856424679	QVLAAPIJTCXCLG-UHFFFAOYSA-N	305.313	1.152	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cnn(C(C)(C)C)c1)C1CC1	855103109	QRTWGYFHXVYMAD-SECBINFHSA-N	309.439	1.546	50	20	DDGD	
N#Cc1ccc(Br)c(NNC(=O)[C@@H]2CCCO2)c1	855616695	LMOYYYCWNPGKQZ-NSHDSACASA-N	310.151	1.943	50	20	DDGD	
O=C(NNC(=O)N1CCN(c2ccccn2)CC1)C1CCCC1	753335254	LWDCXAMIDCWKAZ-UHFFFAOYSA-N	317.393	1.135	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)[C@H](C)NS(=O)(=O)CC	854336954	SGIMFQZCGIIZNS-NSHDSACASA-N	313.423	1.328	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1ccc(O)c(F)c1	758386786	ASPVVBKJQJKMSL-UHFFFAOYSA-N	316.292	1.405	50	20	DDGD	
CCc1ccc(O)c(C(=O)NNC(=O)OCC(F)(F)F)c1	856022220	VACUWORLHDXMHJ-UHFFFAOYSA-N	306.240	1.888	50	20	DDGD	
N#Cc1ccc(NCC(=O)NNC(=S)NCC2CCC2)cc1	855092250	XAKHILARMWXHBT-UHFFFAOYSA-N	317.418	1.266	50	20	DDGD	
O=C(CN1Cc2ccccc2C1=O)NNc1cccnc1Cl	754488032	OOBQATLLYGUSAP-UHFFFAOYSA-N	316.748	1.834	50	20	DDGD	
CO[C@@](C)(C(=O)O)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	852945074	ACAHLBGXQBBDTP-LLVKDONJSA-N	317.685	1.181	50	20	DDGD	
Cc1nnc(C(=O)NNC(=O)CSc2ccccc2O)s1	758365221	TXXDZMLILSLWGG-UHFFFAOYSA-N	324.387	1.105	50	20	DDGD	
Cc1ccccc1[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	868735465	HQXLFOMPIVNEAP-MBNYWOFBSA-N	305.378	1.811	50	20	DDGD	
COC(=O)CC1CCC(=NNC(=O)N2CCN(C)CC2)CC1	863107213	HTVGVQYQLXOWHF-UHFFFAOYSA-N	310.398	1.053	50	20	DDGD	
C[C@@H](NNC(=O)c1cccc(C[S@@](C)=O)c1)C(F)(F)F	862306203	GEXSQRFWODQNHT-ZPWHCFADSA-N	308.325	1.750	50	20	DDGD	
Cc1cc(C=NNC(=O)CNC(=O)c2ccco2)ccc1C#N	766447521	OIZCVAJCHQALGT-UHFFFAOYSA-N	310.313	1.340	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)c2ccccc2)c(C)nn1	767451422	WEFKLSBDIPFVRO-UHFFFAOYSA-N	312.373	1.832	50	20	DDGD	
O=S(=O)(CBr)NC[C@@H]1CCCCN1C1CC1	766206973	KKCFKZVMFFFLQB-JTQLQIEISA-N	311.245	1.275	50	20	DDGD	
OB(O)c1ccccc1CNc1ccc2c(c1)OC(F)(F)O2	864019011	JKHOMAITPUBFLG-UHFFFAOYSA-N	307.061	1.300	50	20	DDGD	
CCCOc1cc(OC)ccc1C(=O)NNC(=O)C(C)(C)O	768245719	FIJUXZJXTIWRPZ-UHFFFAOYSA-N	310.350	1.016	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)C1SCCS1	761136724	VDUZBSLVLYFKKG-UHFFFAOYSA-N	321.427	1.664	50	20	DDGD	
CCN1C[C@H](C)N(S(=O)(=O)CC(C)(C)CCl)C[C@@H]1C	867033087	CBJJNFSURXHSSL-RYUDHWBXSA-N	310.891	1.996	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N[C@H]2CCCc3c[nH]nc32)c1	765754770	RQIDRRLIUUHJPI-ZDUSSCGKSA-N	324.344	1.303	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)c2cn[nH]c2)c(OC)c1	862469172	ANKXBEBRJOAULY-UHFFFAOYSA-N	318.333	1.282	50	20	DDGD	
CN1CC[C@@](O)(CNC(=O)CCCC[C@H]2CCSS2)C1	762723515	UASZBKOBMLCYJY-GXTWGEPZSA-N	318.508	1.883	50	20	DDGD	
COc1cc(C(=O)NNc2nnc(C)c(O)n2)ccc1Cl	760123981	WKDANYORLDYHSO-UHFFFAOYSA-N	309.713	1.305	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CC2(O)CCC2)c1	873756293	IFUOVXSHJAYZLH-UHFFFAOYSA-N	307.419	1.926	50	20	DDGD	
O=C(NNC(=S)NCC1CC1)c1cncn1-c1ccccc1	1118437632	OFJHRUQOLFKMPB-UHFFFAOYSA-N	315.402	1.391	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@@H]1CCCCN1Cc1ccncc1	1116516674	DTIAYORRTCWQBD-INIZCTEOSA-N	311.389	1.396	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)C(F)(F)F	772167466	SNQXCLNSOUUIFF-SFYZADRCSA-N	312.288	1.310	50	20	DDGD	
CC1CC(C#N)(C(=O)NNc2cccc(S(C)(=O)=O)c2)C1	776539727	YGYUHDPRHKHGAK-UHFFFAOYSA-N	307.375	1.473	50	20	DDGD	
O=C1C[C@H]2C[C@@H]1[C@H](C(=O)NNC(=S)Nc1ccccn1)C2	874956419	WUHSONREGLEXDF-IVZWLZJFSA-N	304.375	1.014	50	20	DDGD	
COCCCn1cc(C)c(NC(=O)NNc2ccc(F)cn2)n1	879726132	IYLQSEGTBGHSTJ-UHFFFAOYSA-N	322.344	1.911	50	20	DDGD	
COCCOCC(=O)NN=C1CCOc2ccc(Cl)cc21	872401035	CYJZDCCHNPPTMB-UHFFFAOYSA-N	312.753	1.606	50	20	DDGD	
C[C@@H](CBr)CN1CCCC[C@@H](S(C)(=O)=O)C1	770003204	XTDKKFJQTZMQNY-WDEREUQCSA-N	312.273	1.917	50	20	DDGD	
COC[C@@H](C)CC(=O)NNc1ccnc(Br)c1	771537089	DNYHGZLCHSPWPH-QMMMGPOBSA-N	302.172	1.960	50	20	DDGD	
N#CSCCCNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1	773589533	YGONKKBTBVZXQR-ZDUSSCGKSA-N	324.450	1.635	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@H](C)N(C)C2CC2)cc1	1116001392	ZAYZFJHJCNBZCI-NSHDSACASA-N	320.393	1.122	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@]2(C)CCCOC2)cn1	874954511	VVLKMVIUORMTJM-CQSZACIVSA-N	324.406	1.225	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CN2CCOC2=O)c1C	873758248	RLWJAYPSXPWSDB-UHFFFAOYSA-N	322.390	1.073	50	20	DDGD	
C[C@H]1CCC[C@H](OCC(=O)NNc2cc(Cl)nc(N)n2)C1	779376749	ZWVDZGJDICKXMK-IUCAKERBSA-N	313.789	1.751	50	20	DDGD	
CCN(CCC(=O)NC)C(=O)/C(C#N)=C/c1ccc(F)cc1	888260902	UCRSPEGGTSSSPL-JLHYYAGUSA-N	303.337	1.717	50	20	DDGD	
C[C@]1(COC(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1Br	1123039380	NKCRONZCXMOFHN-PSASIEDQSA-N	318.127	1.508	50	20	DDGD	
CCCCS(=O)(=O)CC(=O)NNc1c(F)cc(F)cc1F	885154858	GXZJJWIPDRBCSX-UHFFFAOYSA-N	324.324	1.762	50	20	DDGD	
CCOc1cc(NC(=O)C(=O)NNc2ncccn2)ccc1C	773719997	RWXCHWNKYDSZOD-UHFFFAOYSA-N	315.333	1.266	50	20	DDGD	
CNC(=O)NNC(=O)[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C	778244189	CHRDGSPBMTYNBC-LURJTMIESA-N	321.303	1.126	50	20	DDGD	
Cc1cc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)oc1C	772208677	ITUOTLDWHZZMQZ-NSHDSACASA-N	310.350	1.635	50	20	DDGD	
Cc1nc(C2(NS(=O)(=O)CCCCl)CCCC2)no1	881786716	LSTMOJPQYLICBA-UHFFFAOYSA-N	307.803	1.696	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](CO)C2CC2)cc1	771044508	HLZKJOPEYOJVKI-IDJPSDCMSA-N	300.358	1.879	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)[C@H]1C[C@H]1c1cccc(F)c1	882664895	OOJFDAWSXKKBKE-STQMWFEESA-N	314.382	1.678	50	20	DDGD	
CCSc1cccnc1C(=O)NNC(=O)C1CCOCC1	883071040	NBOOYCMZFZAHCO-UHFFFAOYSA-N	309.391	1.381	50	20	DDGD	
C[C@H](CBr)COC(=O)C(C)(C)S(C)(=O)=O	785979242	CWZHYGQOXWHUEU-SSDOTTSWSA-N	301.202	1.384	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2cccc3c2OCO3)c1	783934337	PPKZADZWADIPLH-UHFFFAOYSA-N	314.301	1.201	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnc([C@H](C)OCC)s1	780709697	SZVGVNKVQUYLQN-QMMMGPOBSA-N	300.384	1.547	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNc1ccccc1S(C)(=O)=O	795093235	PNDRFCDRHPWWHU-ZDUSSCGKSA-N	300.380	1.348	50	20	DDGD	
Cc1c[nH]nc1C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	799414987	WHTGHYMVZCAZPH-UHFFFAOYSA-N	318.406	1.416	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)CCc2cnccn2)o1	793273233	DZJZPNWSGRPBJE-UHFFFAOYSA-N	300.322	1.536	50	20	DDGD	
O=C(C[C@H]1CCCOC1)NNc1nc(-c2cccnc2)no1	793481003	XPHSRASKHHVRRB-SNVBAGLBSA-N	303.322	1.391	50	20	DDGD	
CSSCCNC(=O)NCCNC(=O)c1cccs1	790674964	XBVBSISLXCCVMF-UHFFFAOYSA-N	319.477	1.788	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNc1ncccc1[N+](=O)[O-]	792384339	JXSRHCVKLGFYFI-UHFFFAOYSA-N	317.305	1.849	50	20	DDGD	
CCCn1ncc(C(=O)NNc2nccn(C)c2=O)c1C1CC1	1319635873	PCPGPYXHXGIEFD-UHFFFAOYSA-N	316.365	1.021	50	20	DDGD	
COc1ccc(NC(=O)CCl)cc1OCC(=O)NC1CC1	1319682622	PKRPHXPNIYRWRG-UHFFFAOYSA-N	312.753	1.530	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H]1CCN(c2ccccc2F)C1	1324725703	ZAEZHSAIXYZQEN-NSHDSACASA-N	324.425	1.556	50	20	DDGD	
C[C@H](C(=O)NNc1ccn(C)n1)[C@@H](C)NC(=O)OC(C)(C)C	1325428794	UKGIIFOVGUGIDP-VHSXEESVSA-N	311.386	1.413	50	20	DDGD	
O=C(CCSc1ccccc1Cl)N1CC[C@@H](B(O)O)C1	585071247	OVYIZBCLYUMJNP-SNVBAGLBSA-N	313.615	1.898	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1321861209	PTDRIXNLAUUILP-UHFFFAOYSA-N	301.350	1.254	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cncc(OCC(F)F)c1	1325106613	CQAOHGXTUCSGLF-UHFFFAOYSA-N	316.333	1.020	50	20	DDGD	
CC(C)CNC(=O)CNC(=O)NNc1ncnc2ccsc12	1333467239	STDCWGIRHVWEJB-UHFFFAOYSA-N	322.394	1.090	50	20	DDGD	
COC(=O)c1ccc(SCC(=O)NNC(=O)C(C)C)cc1	1330591476	GCELNGNQQFGRBO-UHFFFAOYSA-N	310.375	1.369	50	20	DDGD	
N#Cc1ccc(NNC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)nc1	1332376011	YKDONGXKTQWUJS-QJRTVWDNSA-N	312.373	1.728	50	20	DDGD	
C[C@H]1CN(C(=O)c2cccc(CCl)c2)CCS(=O)(=O)C1	1337234425	IWVCWNHMWWDXDR-NSHDSACASA-N	315.822	1.932	50	20	DDGD	
Cc1nc([C@H]2CCOC2)sc1C(=O)NNc1ccn(C)n1	1331162800	NFGJOWJAOOBZIM-VIFPVBQESA-N	307.379	1.446	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)n1	1339801435	AZUUOXREAOXZGG-QMMMGPOBSA-N	318.381	1.455	50	20	DDGD	
O=C(Cn1cc(NC(=O)C2CCC(Cl)CC2)cn1)NC1CC1	1346293002	KWCOQJLBFZDQDM-UHFFFAOYSA-N	324.812	1.898	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ncncc2F)c(Cl)n1	1262672153	JPCMHOMYMHKXMZ-UHFFFAOYSA-N	324.703	1.054	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](C(=O)NNCC(F)(F)C(F)(F)F)C1	1347242828	LRJUOLJZJMXBSL-OLQVQODUSA-N	304.215	1.004	50	20	DDGD	
Cc1cn(-c2ccccc2)nc1C(=O)NNC(=S)NC(C)C	1342807726	SKKUKUFCBSRZOM-UHFFFAOYSA-N	317.418	1.698	50	20	DDGD	
CC(=NNC(=O)c1cncn1-c1ccccc1)c1cnnn1C	1261235822	JQGMUSFJEGZCBT-UHFFFAOYSA-N	309.333	1.155	50	20	DDGD	
CC1(C)OCC(CO)(NC(=O)c2cccc(CCl)c2)CO1	1262620617	KRTVQHYCVAHQPO-UHFFFAOYSA-N	313.781	1.669	50	20	DDGD	
COc1cc(NNC(=O)[C@H]2CN3CCN2C[C@@H]3C)ccc1Cl	1348577663	RXXKDMNSRFKUKY-GXFFZTMASA-N	324.812	1.180	50	20	DDGD	
O=C(CC1COC1)NNC(=O)c1ccc(Br)cc1	1350572540	DBXGSJOMOSTDHN-UHFFFAOYSA-N	313.151	1.247	50	20	DDGD	
CCOC(=O)c1cc(CNC[C@]2(C)C[C@@H]2Br)[nH]n1	1351163013	MBMCFMLTCIPFSF-JQWIXIFHSA-N	316.199	1.850	50	20	DDGD	
Cc1coc(CC(=O)O)c1C(=O)NNc1nc2ccccn2n1	1600641550	JRVNPJDDFZGQRB-UHFFFAOYSA-N	315.289	1.015	50	20	DDGD	
Cn1nc(NC(=O)NNc2cccc(Cl)n2)cc1C(=O)O	1601014546	DSYDWRFNTMYNOS-UHFFFAOYSA-N	310.701	1.315	50	20	DDGD	
Cc1c(NNC(=O)c2cc(C(N)=O)cs2)cccc1C(=O)O	1600055884	MYIJLOPRGUXOPC-UHFFFAOYSA-N	319.342	1.611	50	20	DDGD	
Cc1cccnc1NNC(=O)c1ccc(-c2nn[nH]n2)s1	1609437719	VWDLJAUQIYRDEU-UHFFFAOYSA-N	301.335	1.389	50	20	DDGD	
Cn1cncc1CCC(=O)NNc1cccc(C(=O)O)c1F	1600993336	OOFKNOHHEJGJTF-UHFFFAOYSA-N	306.297	1.333	50	20	DDGD	
O=C(O)c1cncc(C(=O)NNc2ccccc2[N+](=O)[O-])c1	1608979947	BSXNQUOXFNBNEW-UHFFFAOYSA-N	302.246	1.445	50	20	DDGD	
O=C(O)c1cncc(C(=O)N2C[C@H]3[C@H](Br)[C@H]3C2)c1	1608979636	LZCRLDCBQHKKDQ-MYJAWHEDSA-N	311.135	1.245	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2ccc3c(c2)OCO3)cc1	1602129299	XYGIQKCFYOQXPB-UHFFFAOYSA-N	314.297	1.799	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12	1606860867	BUNJSEFWUZIQCL-KYLSFTOHSA-N	310.361	1.602	50	20	DDGD	
O=C(C[C@@H]1CCCC(=O)N1)NNc1ccc(C(=O)O)c(F)c1	1601252835	YUOQWYQBQBMRAU-QMMMGPOBSA-N	309.297	1.026	50	20	DDGD	
Cn1nc(C2CC2)cc1C(=O)NNc1ccc(F)c(C(=O)O)c1	1601013341	QTRDSTSXOXMZOR-UHFFFAOYSA-N	318.308	1.892	50	20	DDGD	
O=C(NNc1cccc(F)c1C(=O)O)c1nc[nH]c2nccc1-2	1602229631	FUKFKZJHJMDMGN-UHFFFAOYSA-N	315.264	1.504	50	20	DDGD	
Cc1ccc(C(=O)O)cc1NC(=O)NNc1ncc(F)cn1	1600359537	NUUMWVKPXGLSPL-UHFFFAOYSA-N	305.269	1.771	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)CCCC(=O)C1CC1	1610288241	ZJFKQGNZLVJXMQ-UHFFFAOYSA-N	320.345	1.986	50	20	DDGD	
Cc1nn(C(C)(C)C)cc1C(=O)NNc1ccc(C(=O)O)cn1	1610566850	BGUJESSSOQJUDP-UHFFFAOYSA-N	317.349	1.797	50	20	DDGD	
O=C(NN=Cc1cccc(Cl)c1)[C@H]1CN2CCC[C@H]2CO1	1549317552	WTFUMDLFMDKMCM-UONOGXRCSA-N	307.781	1.653	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@@H]1C=NNC(=O)C1CCOCC1	1552923054	VYTQXVBYJDBKHF-KGLIPLIRSA-N	320.393	1.509	50	20	DDGD	
CCOc1ccccc1[C@H](N)CC(=O)NNc1ncc(F)cn1	1578203855	IWMRXIBDPZHZDK-GFCCVEGCSA-N	319.340	1.548	50	20	DDGD	
CNNC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1	1578744389	GREIYZYONZDCLX-UHFFFAOYSA-N	317.349	1.999	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H](N)C(C)(C)C	1573832472	ULQOWTNCBWBXDO-CQSZACIVSA-N	307.394	1.149	50	20	DDGD	
CC1(C)C[C@@]1(C(=O)O)C(=O)NNc1nccnc1C1CCC1	1589220239	ZDTKQEMVSDQKMT-HNNXBMFYSA-N	304.350	1.688	50	20	DDGD	
N[C@@H](C(=O)NNc1ccncn1)c1ccccc1Br	1580115244	PVPCLKMLZJVGLR-LLVKDONJSA-N	322.166	1.382	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NN=C2CC(CC(=O)O)C2)c1	1589217495	GASNNQHXFWZPBP-UHFFFAOYSA-N	304.306	1.011	50	20	DDGD	
CC[C@@H]1C[C@H](CC(=O)NNc2ncccc2C(=O)O)CCO1	1589620223	VNLHJERWGNGLKA-GHMZBOCLSA-N	307.350	1.818	50	20	DDGD	
Cc1[nH]c(C(=O)O)c(C)c1C(=O)NN(C)C(=O)OC(C)(C)C	1599957477	RPKTXKIGMJAQDP-UHFFFAOYSA-N	311.338	1.841	50	20	DDGD	
CCCC[C@H](NNC(=O)[C@H]1OCC[C@H]1c1ccccc1)C(=O)O	1595640287	DIYZDZFXNFECLY-KKUMJFAQSA-N	320.389	1.823	50	20	DDGD	
COC[C@H](NC(=O)NNc1ccc(CC(=O)O)cc1)C1CC1	1599172413	BTUPTBFOZSEYAC-ZDUSSCGKSA-N	307.350	1.365	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)c1ccc(C(=O)O)n1C	1599426745	CNWLIKCULREYSU-UHFFFAOYSA-N	307.281	1.628	50	20	DDGD	
COC[C@]1(C(=O)NNc2cccc(C(=O)O)c2C)CCOC1	1599186777	ONBDQXMUFYMYEG-OAHLLOKOSA-N	308.334	1.189	50	20	DDGD	
C[C@@H](CBr)CN1CC[C@H](n2cc(C(=O)O)nn2)C1	1592210477	CZBLSVFMKHHNFC-IUCAKERBSA-N	317.187	1.254	50	20	DDGD	
CC[C@H](C)[C@H](NNC(=O)c1cc(Br)c[nH]1)C(=O)O	1594921527	QUIUCIDFBOTCBB-RCOVLWMOSA-N	318.171	1.511	50	20	DDGD	
COc1cccc(C(=O)/C(C#N)=C\c2cc(C(=O)O)nn2C)c1	1594121154	XAOICUWFCSCMEU-WDZFZDKYSA-N	311.297	1.917	50	20	DDGD	
C[C@@H]1CNCC[C@@H]1NC(=O)NNc1ccc(F)c(C(=O)O)c1	1594584928	POPUPWJKOZIXHV-PELKAZGASA-N	310.329	1.148	50	20	DDGD	
O=C(O)/C=C\c1cc(C(=O)NN=c2cc[nH]c3cccnc23)co1	1594969466	YZSPGEMWBNDHQX-ARJAWSKDSA-N	324.296	1.499	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2cc(C)c(C(=O)O)[nH]2)cc1O	1776103382	GNVAXCKAGFYHJK-UHFFFAOYSA-N	301.302	1.799	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1c(F)cc(C(=O)O)cc1F	1776082237	DWTHSYWVVWSEHT-CBAPKCEASA-N	312.272	1.538	50	20	DDGD	
CC1(C)CCCC[C@H]1CC(=O)NNc1ccc(C(N)=O)nn1	162408314	KMBNMSNLEQNEDE-JTQLQIEISA-N	305.382	1.625	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(C)CC2CCOCC2)c1	155708327	YORVTIMIBZOYPK-UHFFFAOYSA-N	319.405	1.114	50	20	DDGD	
CCOCCC1(CNC(=O)NNC(=O)Cc2cccnc2)CC1	155451602	BAAOEXDASMOWJH-UHFFFAOYSA-N	320.393	1.161	50	20	DDGD	
CN1CCC(NC(=O)NNC(=O)c2ccc(Cl)cc2)CC1	43180620	IIPNIICEXBDOPK-UHFFFAOYSA-N	310.785	1.378	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CNC(=O)OCc1ccccc1	299360831	RDZKYWRPTODPAC-UHFFFAOYSA-N	307.350	1.106	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cc(Br)c[nH]1	71017189	HDIBVMPCXJBZCC-UHFFFAOYSA-N	304.144	1.947	50	20	DDGD	
CN(NS(=O)(=O)CCCCCl)C(=O)OC(C)(C)C	496902245	MQCWXSDMHGYBIZ-UHFFFAOYSA-N	300.808	1.707	50	20	DDGD	
COC1(CNS(=O)(=O)CBr)CCCCCC1	908364957	VWNIEIFOBROBRB-UHFFFAOYSA-N	314.245	1.998	50	20	DDGD	
C[C@H](CBr)CN1CCCC[C@H]1CS(C)(=O)=O	831782158	FHINZYLYKCBDHI-MNOVXSKESA-N	312.273	1.917	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc(-c2ccccc2)no1	109860009	OIJSEWNJAWVPEX-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
O=C(NNC(=O)c1ccc(-n2cccn2)cc1)c1ccccc1	22662085	NLROQXVGXMZKQQ-UHFFFAOYSA-N	306.325	1.947	50	20	DDGD	
COc1cc(C(=O)NNc2nccnc2Cl)ccc1[N+](=O)[O-]	114893769	YKQQJEYLLBDWAM-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
C[C@H](Cc1cccs1)NC(=O)NNC(=O)c1cnn(C)c1	117958604	NPEFYPAKJZGDCE-SECBINFHSA-N	307.379	1.057	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C[C@@H](C)c1ccc(F)cc1	109860945	KKRVUVNVLGCTBP-SECBINFHSA-N	304.325	1.812	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccc(O)c(Cl)c1	103533641	QEZADGQRXVTILC-UHFFFAOYSA-N	305.721	1.444	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H](C)Oc1ccc(CCC(C)=O)cc1	62931282	XHONKHLMAPVCQQ-GFCCVEGCSA-N	322.361	1.753	50	20	DDGD	
C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)c1cccnc1	27763654	UEMIMLFJHXSHTD-JTQLQIEISA-N	319.748	1.964	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cnc3ccc(F)cc3c2)cn1	179488461	FKSVQBJLXIUPJA-UHFFFAOYSA-N	313.292	1.182	50	20	DDGD	
C#CCN(CC(=O)NNC(=O)C1CC1)[C@@H]1CCc2ccccc21	112977037	OULDIHUQFLGDRL-MRXNPFEDSA-N	311.385	1.167	50	20	DDGD	
Cc1occc1C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	25434908	CDQHPWYNLOYHEY-UHFFFAOYSA-N	309.366	1.292	50	20	DDGD	
CC[C@@H](C)CN(C)C(=O)NNC(=O)c1c(C)nc2ccccn12	111436877	BWOTZOOZDUUUFV-LLVKDONJSA-N	317.393	1.975	50	20	DDGD	
COCCCNC(=O)NNC(=O)NCc1ccc(Cl)cc1	112739215	MNOZHSDRZNOHKN-UHFFFAOYSA-N	314.773	1.390	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCCn1cccn1)c1ccccc1	114971703	XTLRTASUALVRIU-AWEZNQCLSA-N	315.377	1.407	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1ccnnc1	129273988	UCJPUNZYLPGFSO-UHFFFAOYSA-N	306.709	1.213	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCCOC(C)C)c1ccccc1	184150595	OSCDZXYWQQRPBV-AWEZNQCLSA-N	307.394	1.936	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc(C)c(O)c1	181060546	AZZYJOVHYLPXQE-UHFFFAOYSA-N	300.314	1.784	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CCOC3(CCC3)C2)cc(C#N)n1C	127612431	MFGDBGLZTDAKQW-NVNXTCNLSA-N	324.384	1.894	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)c2c[nH]c3ccccc23)CCCO1	126937500	WAPPVYVUXIBZPS-MRXNPFEDSA-N	316.361	1.681	50	20	DDGD	
Cc1ccccc1O[C@@H](C)CNC(=O)NNc1cccnn1	75307676	HLLSRAUWIWONCQ-LBPRGKRZSA-N	301.350	1.879	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CO)c1cccc(C(F)(F)F)c1	182756979	MCDWXZIHUBMZKR-UHFFFAOYSA-N	304.268	1.123	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1ccc(F)cc1Cl	77708803	JTHMBINZZKZAMB-UHFFFAOYSA-N	308.762	1.835	50	20	DDGD	
Cc1ccccc1NC(=O)C(=O)NNC(=O)c1cccc(C#N)c1	127131885	FFFGANYPJAPNLK-UHFFFAOYSA-N	322.324	1.266	50	20	DDGD	
CN(C)c1ccnc(C(=O)NNc2nnc(C3CC3)s2)c1	129103527	ZAHXENQPIYBHPQ-UHFFFAOYSA-N	304.379	1.633	50	20	DDGD	
Cc1ccc(-n2cc(C(=O)NNC(=O)C(C)(C)C)nn2)cc1	127279797	UUAFVCRUTSFRNP-UHFFFAOYSA-N	301.350	1.383	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2c[nH]nc2-c2ccsc2)[nH]n1	188951498	PFSGHRSUKTWABJ-UHFFFAOYSA-N	316.346	1.245	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cnns1	47816490	IIVFNMHKOODYRD-UHFFFAOYSA-N	306.391	1.516	50	20	DDGD	
COc1cccc([C@H](C)C(=O)NNc2nccc(OC)n2)c1	193500109	BYFUUCZEIRMIRV-JTQLQIEISA-N	302.334	1.741	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2cccc(F)c2C)c1	190039977	QLAJJKZKGYYLRM-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
O=C(NCC1CCOCC1)NNC(=O)c1cccc(Cl)c1	194805134	XSSVMIJNTNZMPT-UHFFFAOYSA-N	311.769	1.711	50	20	DDGD	
Cc1cnn(CCC(=O)NNC(=O)c2cccc(Cl)c2)c1	193703309	OMVQMTWUDMPELK-UHFFFAOYSA-N	306.753	1.696	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@@H]1C[C@H]1c1ccc(F)cc1	195229724	FELWEHOVFILGBG-WCQYABFASA-N	302.309	1.654	50	20	DDGD	
COc1nccnc1NNC(=O)c1c[nH]c2ccccc2c1=O	131873225	QLFVYQBNUWFHSG-UHFFFAOYSA-N	311.301	1.084	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CN(C)C)c1ccc(Cl)c(Cl)c1	266962057	XQXKHVOJONLIAU-MRVPVSSYSA-N	318.204	1.806	50	20	DDGD	
CCCCOCC(=O)NNC(=O)CNc1cccc(OC)c1	265536161	QQRAFYJKKLMMPL-UHFFFAOYSA-N	309.366	1.071	50	20	DDGD	
COc1ccc(NNC(=O)COc2c(C)nn(C)c2C)cc1	268406217	HMMBSDMLFDZKPX-UHFFFAOYSA-N	304.350	1.568	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C1CCSCC1	264850607	ZOOJVQWDGYOCMS-UHFFFAOYSA-N	323.418	1.398	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)N1CCOCC1)c1cccc(Cl)c1	266175930	XHUAZKWFPJYKHO-SNVBAGLBSA-N	311.769	1.517	50	20	DDGD	
CC(C)(C)OC(=O)CCC(=O)NNC(=O)c1ccccc1O	277543176	NLKJDEKDTJEDIN-UHFFFAOYSA-N	308.334	1.275	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C1CCN(CC(F)(F)F)CC1	272702222	FVUABWSUNFMZIL-UHFFFAOYSA-N	320.290	1.938	50	20	DDGD	
CCc1nn(C)cc1NC(=O)C(=O)NNc1cc(C)ccc1F	276294040	UYCYKAZPXZEIBJ-UHFFFAOYSA-N	319.340	1.512	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc(-n2nccn2)cc1	273510394	SYPJNEMDVOWPIB-UHFFFAOYSA-N	302.338	1.466	50	20	DDGD	
CCOc1cccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)c1	273712516	NIDQRELIDUTYGD-UHFFFAOYSA-N	307.350	1.217	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCS[C@H](C)[C@H]2C)n1	279641628	JITLTRBOJUEOCX-GHMZBOCLSA-N	308.407	1.570	50	20	DDGD	
COC(C)(C)CC(=O)NNC(=O)c1ccc2ccccc2n1	278811882	ORUFKJREQBMQJR-UHFFFAOYSA-N	301.346	1.811	50	20	DDGD	
Cc1ccc(Cl)cc1C(=O)NNC(=O)N1CCN(C)CC1	287666006	BIKQZYGSKUIGRT-UHFFFAOYSA-N	310.785	1.250	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NNC(=O)c1cccc(C)n1	280594424	BQTDMQIWQZKEIW-OCCSQVGLSA-N	318.377	1.315	50	20	DDGD	
COCCN(C)NC(=O)CCc1ccc(Br)cc1	288304140	BZXRDJIAGKMFEN-UHFFFAOYSA-N	315.211	1.991	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCO2)NNC(=O)CC1CCCC1	299607105	UFEVIEHQTLKBNG-UHFFFAOYSA-N	302.374	1.892	50	20	DDGD	
CCN(CC)CCOc1ccccc1NC(=O)NNC(=O)OC	298473734	RUPWJMSCCOWZSP-UHFFFAOYSA-N	324.381	1.800	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H](C)Oc2ccc(C#N)cc2)O1	293035917	LJPRCFXYTMQFBH-MJVIPROJSA-N	317.345	1.040	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@@H]2CCS(=O)(=O)C2)c2ccccc21	807958993	LVHJUXALFSUILD-GHMZBOCLSA-N	306.387	1.449	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)sc2nccn12	294047239	YVGIFWRVOUXVGY-CBAPKCEASA-N	308.363	1.033	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCCc2cnn(C)n2)cc1	297233616	GUZSIJHQTGWHJO-UHFFFAOYSA-N	318.381	1.473	50	20	DDGD	
C[C@@H](Cc1cnc2ccccc2n1)C(=O)NNC(=O)NC1CC1	294022726	HNJNRZZYGGPORX-JTQLQIEISA-N	313.361	1.301	50	20	DDGD	
CC[C@@H](COCC(F)(F)F)NC(=O)NNc1ccncn1	297068280	YWCNRMRRCJDZQY-QMMMGPOBSA-N	307.276	1.460	50	20	DDGD	
C=Cc1ccc(CCNC(=O)NNC(=O)[C@H]2CCCCO2)cc1	296935871	DTYCWYNIAIAYGL-OAHLLOKOSA-N	317.389	1.772	50	20	DDGD	
CCc1sc(C(=O)NN(C)C(N)=O)cc1Br	294617495	PVTZOMQAGFIYLW-UHFFFAOYSA-N	306.185	1.728	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCN(C)Cc1ccccc1	299128358	ZXVFZAZNCUCBTP-UHFFFAOYSA-N	306.410	1.495	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cn(Cc2cccc(F)c2)nn1	294005567	AXMBFKXAYDLEEV-UHFFFAOYSA-N	317.324	1.027	50	20	DDGD	
O=C(CCCNC(=O)c1cccnc1)NNc1cccc(F)n1	804766159	AACUYXBAORRKMO-UHFFFAOYSA-N	317.324	1.269	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C1(c2ccc(F)cc2)CCOCC1	294159174	MXPILHVCLWKLIS-UHFFFAOYSA-N	320.364	1.821	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)COc2ccccc2O)CC[C@H]1C	294533929	HNNINHPZDUROQT-AGIUHOORSA-N	320.389	1.991	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cc(F)cc(C(F)(F)F)c1	292241478	WSKULBSVKIKPHS-JTQLQIEISA-N	320.242	1.785	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1	297214579	XBWPASTWFHPNDJ-UWVGGRQHSA-N	302.296	1.817	50	20	DDGD	
COC(=O)COCC(=O)NNc1ncc(Cl)cc1Cl	807267941	GWGQHXIPNWDKLU-UHFFFAOYSA-N	308.121	1.021	50	20	DDGD	
CCOc1cc(C(=O)NN(C)C2CC2)ccc1OCC(=O)OC	819648155	XHYHZOSSPNKJBR-UHFFFAOYSA-N	322.361	1.376	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)NCc2ccco2)n1C	814817743	UPQIJYUQEKASRU-UHFFFAOYSA-N	304.306	1.238	50	20	DDGD	
O=C(O)c1ccc2c(c1)CCCCC2=NNC(=O)[C@@H]1CCOC1	811649337	JBMGXEUBJMXGCJ-CYBMUJFWSA-N	316.357	1.968	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)c1ccc([N+](=O)[O-])n1C	816337346	PVRCFEGWRQANQI-UHFFFAOYSA-N	308.269	1.838	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2ccc(O)c(O)c2)CC[C@H]1C(=O)O	814921022	ROFVDJWVPWOAJW-GZMMTYOYSA-N	306.318	1.704	50	20	DDGD	
O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NNc1ccc(F)cc1	814888816	QVVPPWKRKVWWOO-BETUJISGSA-N	317.320	1.220	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@H]2CC[C@H](C(N)=O)CC2)nc1	817177566	SPIHMHCLCXNWSO-XYPYZODXSA-N	321.381	1.008	50	20	DDGD	
CC[C@@H]1CN([C@@H](C)C(=O)NNC(=O)CC(C)C)C[C@@H](CC)O1	817280394	DXVSWFWWJYWLCL-BFHYXJOUSA-N	313.442	1.458	50	20	DDGD	
N#Cc1ccc(CSCC(=O)NNc2ncncc2F)cc1	817071620	XGLBXBNGHJFVSQ-UHFFFAOYSA-N	317.349	1.864	50	20	DDGD	
CC(=NNC(=O)c1nnc(-c2ccccc2)o1)c1csnn1	814815886	JOGXIVRYOOQCIU-UHFFFAOYSA-N	314.330	1.742	50	20	DDGD	
COCC1(CNC(=O)NNc2ccc(F)cc2)CCOCC1	813772234	DBOXENYNCUUCQM-UHFFFAOYSA-N	311.357	1.895	50	20	DDGD	
CO[C@@H]1CCC[C@@H](C(=O)NNC(=O)COc2ccccc2O)C1	815509331	CYAXBOITBUBULQ-VXGBXAGGSA-N	322.361	1.124	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1ccc(OC(F)F)c(F)c1	814796407	BUCYDLLJOMLKJZ-UHFFFAOYSA-N	313.235	1.830	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1cn(-c2ccccc2)nn1	814852105	KCSCLMAPSBZIHQ-UHFFFAOYSA-N	309.333	1.155	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc(C(=O)NC2CC2)cc1	819114184	BQZBVCWPDMLNKJ-UHFFFAOYSA-N	301.346	1.140	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@@H]1CCCC12OCCO2	816339384	XLXWUKOFISIGIU-NSHDSACASA-N	310.325	1.821	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@H](c2ccccc2)[C@@H](C)C1	827893367	BUVKQWJWSWBHOZ-HOCLYGCPSA-N	317.433	1.915	50	20	DDGD	
COC(=O)NN=Cc1cc(O)c(OC)cc1Br	490555869	JNNAFDSQNQWAQA-UHFFFAOYSA-N	303.112	1.853	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H](C)OCCc1ccccc1	822193871	XLSHTPYWTDDUCH-GFCCVEGCSA-N	307.419	1.316	50	20	DDGD	
CS(=O)(=O)c1ccc(C=NNC(=O)Cc2cccnc2)cc1	728786516	KUPKGSPZDZWUFI-UHFFFAOYSA-N	317.370	1.178	50	20	DDGD	
CCC1(CC)CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1	585007497	NSGNKHZEQGNWJO-UHFFFAOYSA-N	307.174	1.548	50	20	DDGD	
C#C[C@@H](CC)NC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	491631076	PXGLVLTZRYMJNW-VIFPVBQESA-N	304.306	1.163	50	20	DDGD	
Cn1cc(C(=O)NN=C2CC(NC(=O)OC(C)(C)C)C2)cn1	495718631	GCKCBFQTZVYHLD-UHFFFAOYSA-N	307.354	1.193	50	20	DDGD	
C[C@]1(C(=O)NCCCCn2ccnc2)C[C@@H]1Br	906675773	FJAZAEJESUUKAR-JQWIXIFHSA-N	300.200	1.953	50	20	DDGD	
C#CCN(Cc1ccccc1)[C@@H](C)C(=O)NNC(=O)CC(C)C	491380893	BLQYFBDROGCPEW-HNNXBMFYSA-N	315.417	1.704	50	20	DDGD	
Cc1cc(C)cc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1	494640853	MDPBFJBOJVJURI-UHFFFAOYSA-N	321.377	1.589	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(C)C[C@]1(O)CCc2ccccc21	491051805	UFEZTTOIOBVSLG-GWKQRERASA-N	300.358	1.723	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)C1CCC2(CC1)CC2(F)F	584912234	QGLDFIKJEWOIFE-UHFFFAOYSA-N	309.121	1.521	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H]1CCN(c2ccccc2)C1	822777254	BFQYODKSMVEZFR-ZDUSSCGKSA-N	304.394	1.643	50	20	DDGD	
O=C(NCB(O)O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	585057169	OCVUEAKGEGBOCV-LRSDLPTKSA-N	305.105	1.264	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCC[C@H]1CCCC[C@H]1C	826009761	FZIFELJCIBYIJD-RQJABVFESA-N	311.426	1.958	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NNC(=O)N(C)C	495859927	URJSUIRFGSGHBP-SNVBAGLBSA-N	316.402	1.324	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cn(C)nc1-c1ccccc1Cl	823960189	XIBSLPCDOURVRU-JTQLQIEISA-N	322.796	1.698	50	20	DDGD	
CN(CC(=O)OC(C)(C)C)C(=O)/C(C#N)=C/c1cnn(C)c1	491131485	LDQJRASRVPUFEK-WUXMJOGZSA-N	304.350	1.127	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cn2cc(Cl)cc(Cl)c2n1	495692296	HEPGCXCDDAABBU-UHFFFAOYSA-N	317.132	1.984	50	20	DDGD	
COCCN1CCC(NC(=O)[C@]2(C)C[C@@H]2Br)CC1	906416689	RRKITTKHORCHNF-WCQYABFASA-N	319.243	1.387	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)CNC(=O)N1CCCC1	909214917	XEKOKZSWUBOPGD-UHFFFAOYSA-N	310.785	1.897	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCC(=O)N(C)OC)cc1	491043643	AEFCECATOQGBFP-UKTHLTGXSA-N	317.345	1.128	50	20	DDGD	
C[C@@]1(C(=O)N2CCN(CC3CC3)CC2)C[C@H]1Br	906332846	HAABHKLKNOSVPO-DGCLKSJQSA-N	301.228	1.714	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1CCSc2ccccc21	731280827	DTOWHDQCBYLGJV-NSHDSACASA-N	309.391	1.590	50	20	DDGD	
C[C@H]1COC(C)(C)CN1CC(=O)NNC(=O)c1ccc(F)cc1	839580990	WCVRSILEPCVRRS-NSHDSACASA-N	323.368	1.086	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)C(=O)NNC(=O)NC1CCCCC1	837310379	BCMOUIIYNYZPAK-LLVKDONJSA-N	307.398	1.262	50	20	DDGD	
CCn1cc(C=NNC(=O)COc2ccc(OC)cc2)c(C)n1	901130770	VOCIPIJZNOIBJI-UHFFFAOYSA-N	316.361	1.749	50	20	DDGD	
CC1(C)CCC(C)(C)N(C(=O)c2ccc(B(O)O)c(F)c2)C1	585010095	JMNMHMQPGMPRTF-UHFFFAOYSA-N	307.174	1.546	50	20	DDGD	
CON(C)C(=O)CCC(C)=NNC(=O)c1ccc(C)cc1O	834942499	OARKARZEEJVBTG-UHFFFAOYSA-N	307.350	1.606	50	20	DDGD	
C[C@H]1CC(=NNC(=O)CCN2CCCCCC2)c2nccn21	834931538	KLQZVHHBGMGDIS-ZDUSSCGKSA-N	303.410	1.934	50	20	DDGD	
Cc1nnc(CCNC(=O)[C@]2(C)C[C@H]2Br)s1	908254988	SIJJNCVLQDYJTR-GMSGAONNSA-N	304.213	1.679	50	20	DDGD	
CC(C)Cc1ccc(/C=C/C(=O)N2CC[C@H](B(O)O)C2)cc1	585064732	IWGFLTIMZKKLBP-WAVCKPEOSA-N	301.195	1.974	50	20	DDGD	
CO[C@H](C=NNC(=O)CNc1ccc(C)cc1)C1CCOCC1	834920168	HTFFQSRRHCLWMT-MRXNPFEDSA-N	319.405	1.951	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)c1cnn(-c2ccccc2)c1	733777231	UEXXFJDIKVHLDO-UHFFFAOYSA-N	314.345	1.249	50	20	DDGD	
CCC(=O)NN=Cc1c[nH]nc1-c1ccc2c(c1)OCCO2	839387846	FGZUZPQXNAUVHZ-UHFFFAOYSA-N	300.318	1.708	50	20	DDGD	
COC(=O)c1cc(NNC(=O)N[C@@H](C)C[C@@H](C)N)ccc1F	831223719	HNYITWVVKFSWRB-BDAKNGLRSA-N	312.345	1.364	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@]1(C)CCCCO1	837310880	SAFVEQJHNUDABY-ZBEGNZNMSA-N	324.352	1.700	50	20	DDGD	
Cc1ncsc1C(=O)NN[C@H](C(=O)O)c1ccccc1F	833010800	ULGSBLLBIKJLCO-JTQLQIEISA-N	309.322	1.651	50	20	DDGD	
Cc1c(Cl)cncc1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	831840701	RBPVPGULIMFVPX-DTWKUNHWSA-N	312.757	1.621	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)ccc(F)c1F	831866247	WLKVEFHBHXDJTR-RKDXNWHRSA-N	313.304	1.851	50	20	DDGD	
COc1c(O)ccc(C=NNC(=O)NC2CCCC2)c1[N+](=O)[O-]	834947955	FJCYGMDETPWQFT-UHFFFAOYSA-N	322.321	1.885	50	20	DDGD	
Cc1ccc(NNC(=O)CCNS(C)(=O)=O)c(Cl)c1	836938233	IOWSQPAPUMTILH-UHFFFAOYSA-N	305.787	1.031	50	20	DDGD	
C=C(CC)CNC(=O)NNC(=O)COc1ccccc1[N+](=O)[O-]	838721516	YYBHKNBFVWKWRS-UHFFFAOYSA-N	322.321	1.270	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)c2cc3ccccc3cc2O)[nH]1	732262308	UOHNGOMZSSOUSL-UHFFFAOYSA-N	310.313	1.652	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)C#Cc1ccc(C(F)(F)F)cc1	910152243	KEYWLEHWUTYWNC-SNVBAGLBSA-N	300.280	1.401	50	20	DDGD	
COc1cccc(C=NNC(=O)[C@H](C)CN2CCCCC2)c1O	916364555	PFMGZGXMLWGWOZ-CYBMUJFWSA-N	319.405	1.973	50	20	DDGD	
Cc1cc(-n2cncn2)ccc1C(=O)NNC(=O)C1CCCC1	742046319	SXZDUBNNXFOFDD-UHFFFAOYSA-N	313.361	1.527	50	20	DDGD	
CCc1ncc(C=NNC(=O)[C@@H]2COc3ccccc3O2)cn1	841605392	QPXZSWHTZUSUDS-AWEZNQCLSA-N	312.329	1.329	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C(=O)OC(C)(C)C)C(C)C)o1	843819636	YDXMCNYADULVIS-GFCCVEGCSA-N	324.377	1.963	50	20	DDGD	
NC(=O)[C@H]1CC[C@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	848233875	SCMNXSLWYJNDPK-NKWVEPMBSA-N	303.149	1.343	50	20	DDGD	
C[C@@H](Cc1ccc(C#N)cc1)C(=O)NNC(=O)NCC1CC1	847391066	PIUSMFOMXAWBIS-NSHDSACASA-N	300.362	1.477	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cccc(C(N)=O)c2)cc1	912988644	PRROYDWALCYHTK-UHFFFAOYSA-N	311.341	1.423	50	20	DDGD	
CCC(CC)(CO)C(=O)NNC(=O)c1cc2ccccc2o1	847551377	DUTCHYHIALZJSB-UHFFFAOYSA-N	304.346	1.993	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NN(C)C[C@H](C)O)c1C	910172783	FPYPJXHFNGYHQD-LWLPBDFMSA-N	318.421	1.766	50	20	DDGD	
C=CCOc1ccc(/C=C\C(=O)NN(C)C[C@H](C)O)cc1OC	910176481	CBXUKLWMNHXQKR-JWJUJFCLSA-N	320.389	1.617	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2ccc([N+](=O)[O-])c(O)c2)cs1	748132457	UAMBGVVNSGBBIS-UHFFFAOYSA-N	320.330	1.758	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@@H](CO)CC1CCCCC1	841587636	UXUIYMFGXXZXEY-CQSZACIVSA-N	311.426	1.838	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1cnc(C)nc1C	741462521	IAWRAPPAVSOCJE-UHFFFAOYSA-N	305.382	1.238	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@H](CC(C)C)OC)nc1C	841415307	RTKHDFHIRNLFBA-LBPRGKRZSA-N	324.381	1.466	50	20	DDGD	
CC(=O)c1ccc(CC(=O)NNC(=O)CC(F)(F)F)cc1	918366162	KZGNGSFLDOGTBE-UHFFFAOYSA-N	302.252	1.532	50	20	DDGD	
CCC(N)(CC)CNC(=O)NNC(=O)COCc1ccccc1	841954208	JXAFHSQLNSWKJR-UHFFFAOYSA-N	322.409	1.051	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)[C@@H]1Cc2ccccc2S1	740746928	ZRDLJVJWTZLHCT-JTQLQIEISA-N	312.358	1.513	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)C(C)(C)c2ccccc2)CCN1	841984227	ACQOMTMAZATGGF-JSGCOSHPSA-N	318.421	1.435	50	20	DDGD	
C[C@H](C(=O)NNc1ccccc1S(C)(=O)=O)C(F)(F)F	743369062	YBKCUCJZNVBCLE-SSDOTTSWSA-N	310.297	1.732	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNc1ccc2ccccc2n1	845918116	FIOQPZZNHIZSRJ-UHFFFAOYSA-N	300.362	1.840	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2cccc(O)c2)n1	746755436	FFFFWBAMSDCDGV-UHFFFAOYSA-N	303.322	1.326	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H](C)CCc2cccc(F)c2)nc1O	743295471	MTGIEZOSVCRFOK-SECBINFHSA-N	319.340	1.737	50	20	DDGD	
COc1ccc(NCC(=O)NN=Cc2ccc(C(=O)O)[nH]2)cc1	749811996	JEFPHTQEVYCCOW-UHFFFAOYSA-N	316.317	1.284	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)[C@@H]1Cc2ccccc21	743339242	XYOMJKNDVJHFFK-OAHLLOKOSA-N	310.353	1.812	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)N1CCCCC1	843973154	JZSSWQNCHCZXLT-HZSPNIEDSA-N	311.426	1.069	50	20	DDGD	
O=C(NNc1cc(O)nc2ncccc12)[C@@H]1CC12CCOCC2	913993139	QTCQXGRVSHTDAK-NSHDSACASA-N	314.345	1.595	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1	747346142	VYKLEEHZOLOPRJ-OAHLLOKOSA-N	321.396	1.984	50	20	DDGD	
CON(C)CCNS(=O)(=O)c1ccc(CCCCl)cc1	849408246	AEKMRVMICZNRKN-UHFFFAOYSA-N	320.842	1.630	50	20	DDGD	
C[C@H](C(=O)NNc1nc(-c2cccnc2)no1)c1cnn(C)c1	749988397	XXPOKCJFBGTJIQ-VIFPVBQESA-N	313.321	1.112	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1)c1ccncc1	916372825	WSYQXLSQEZKKEZ-RDBSUJKOSA-N	318.421	1.667	50	20	DDGD	
CSc1cccc(F)c1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843658855	WIROOQUFIHMCNX-BDAKNGLRSA-N	312.366	1.734	50	20	DDGD	
O=C(NCC1CC1)NNC(=S)N[C@H]1CCOc2ccccc21	741485750	AMIVUWZMMONPJR-LBPRGKRZSA-N	320.418	1.599	50	20	DDGD	
CCc1ccc(CCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	843650144	ZEMNEPJOOQSTAY-WFASDCNBSA-N	304.390	1.754	50	20	DDGD	
NC[C@H]1CC[C@H](CNC(=O)NNc2nc3ccccn3n2)CC1	841995402	LNWVPAMPKHLJQV-HAQNSBGRSA-N	317.397	1.121	50	20	DDGD	
CN(C)C1(CNC(=O)NNC(=O)Cc2ccc(Cl)cc2)CC1	923014332	AUCBGEPFAWUPNN-UHFFFAOYSA-N	324.812	1.307	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)C[C@@H]1C=CCCC1	842261136	HUUXTRXOPORIIH-LLVKDONJSA-N	309.391	1.524	50	20	DDGD	
CCc1cccc(C=NNC(=O)CNC(=O)OC(C)(C)C)c1O	848407690	AYEQSEFGPSRUTP-UHFFFAOYSA-N	321.377	1.929	50	20	DDGD	
N#Cc1ccc(NNC(=O)CC2CCN(CC(F)F)CC2)nc1	924811889	ONRVWNOVDJZTRN-UHFFFAOYSA-N	323.347	1.764	50	20	DDGD	
COc1ccc([N+](=O)[O-])c(C(=O)NNc2nc(C)cc(C)n2)c1	920284386	KQSBCXYXFNGAGT-UHFFFAOYSA-N	317.305	1.767	50	20	DDGD	
C[C@@]1(CNC(=O)COC2CCOCC2)C[C@@H]1Br	857396630	FSVDNJPCGMQMKK-JQWIXIFHSA-N	306.200	1.472	50	20	DDGD	
C[C@]1(CNC(=O)CCCCNC(N)=O)C[C@@H]1Br	857402892	GMESOMFMUPWJJO-GZMMTYOYSA-N	306.204	1.115	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccccc1CN(CC)C(C)=O	755757838	GTVGNOQIYKWPQO-UHFFFAOYSA-N	306.366	1.618	50	20	DDGD	
O=C(NNC(=O)c1conc1C(F)(F)F)OCC(F)(F)F	856018999	LOGHCKGIRPLZDT-UHFFFAOYSA-N	321.133	1.627	50	20	DDGD	
CC(C)(C)c1nnc(C(=O)NNC(=O)CC(F)(F)F)s1	855001071	TWKUGKDEDLDCPE-UHFFFAOYSA-N	310.301	1.549	50	20	DDGD	
CC(C)c1ccccc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1	854294813	MXNKAMQPPHGDAD-NSHDSACASA-N	324.402	1.006	50	20	DDGD	
CNC[C@H](C)NC(=O)NNC(=O)Cc1ccc2ccccc2c1	851682588	XLPWAMMNKDEQAX-LBPRGKRZSA-N	314.389	1.321	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NNC(=O)c1cc(C)cs1	858418488	MVGPPOVPKIKYKE-AAEUAGOBSA-N	323.418	1.982	50	20	DDGD	
CN(C)c1cnc(C(=O)NC[C@]2(C)C[C@H]2Br)cn1	857393365	FUKFQRUFNBVDGX-SKDRFNHKSA-N	313.199	1.446	50	20	DDGD	
CC(C)CCn1ncc(NC(=O)NNC(=O)CO)c1C(C)C	753328059	XYEGBCZPDIRXDD-UHFFFAOYSA-N	311.386	1.198	50	20	DDGD	
C[C@@H]1CC(F)(F)CCN1CC(=O)NNC(=O)c1cccs1	859839123	NIKCRUGUJCKQKF-SECBINFHSA-N	317.361	1.629	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCSC2(CCCCC2)C1	750840897	XXUACFMFLQJLEO-LBPRGKRZSA-N	313.467	1.684	50	20	DDGD	
C=CC[C@@H]1CCCCC1=NNC(=O)Cc1cc(O)nc(O)n1	853313407	LUDXDSJDBKDUPI-SNVBAGLBSA-N	304.350	1.669	50	20	DDGD	
Cn1ncc2c(NC[C@@]3(C)C[C@@H]3Br)nc(N)nc21	856787715	QLGQLMBYGWWHHA-WRWORJQWSA-N	311.187	1.531	50	20	DDGD	
CO[C@@]1(CNC(=O)NNc2ccc(Cl)cn2)CCOC1	852255868	KINUIZASKQHKJB-GFCCVEGCSA-N	300.746	1.167	50	20	DDGD	
CCNC(=O)NNC(=O)c1cccc(OC[C@H]2CCCO2)c1	920858553	GAIUXJUCJVDZGV-CYBMUJFWSA-N	307.350	1.208	50	20	DDGD	
CCC(=O)c1cc(C(=O)NNC(=O)c2cc(C)[nH]n2)ccc1F	757909827	XDFXHWWHUOEXDL-UHFFFAOYSA-N	318.308	1.525	50	20	DDGD	
C[C@@]1(CNC(=O)N[C@@H]2CCCC[C@H]2N)C[C@H]1Br	857105826	SQHBCHSYCHTHKL-BFLSOPEQSA-N	304.232	1.729	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)c1cc(CN2CCCC2)on1	857358558	AZQISQWMGDNCFF-UHFFFAOYSA-N	322.756	1.471	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(N2CCCCCC2)nc1	854924151	QIVHUECKMKSYPP-UHFFFAOYSA-N	321.450	1.543	50	20	DDGD	
CCn1ccc(CC(=O)NC[C@@]2(C)C[C@H]2Br)n1	857385428	HVZGEEGFBZYUOU-ZYHUDNBSSA-N	300.200	1.735	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)nc1O	756752092	ZDTNPZUISOAWJN-SDDRHHMPSA-N	305.382	1.935	50	20	DDGD	
O=C(NCc1ccco1)NNC(=S)NC[C@@H]1CCCCO1	758209568	LUCACTMCPUXOHS-JTQLQIEISA-N	312.395	1.027	50	20	DDGD	
CCCn1cccc1C=NNC(=O)CNC(=O)c1ccco1	750936013	BMUYXMWSQYDGHT-UHFFFAOYSA-N	302.334	1.371	50	20	DDGD	
O=C(NNC(=O)c1noc2c1CCCCC2)OCC(F)(F)F	856022563	GSXYXRWHFLZPQH-UHFFFAOYSA-N	321.255	1.877	50	20	DDGD	
C[C@H](CO[C@@H]1CCOC1)NC(=O)NNc1ccc(Cl)cn1	852195758	KGHRIUHRELNBOR-MWLCHTKSSA-N	314.773	1.555	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NN[C@H](C)C(F)(F)F)cc1F	862317784	LZMWQSNCOVCNRS-ZCFIWIBFSA-N	307.247	1.969	50	20	DDGD	
C[C@@H](NNC(=O)c1ccccc1Cn1cncn1)C(F)(F)F	862311996	YIMFUJVKXSRWDR-SECBINFHSA-N	313.283	1.512	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)c1)NOCC(F)(F)F	765990941	UPTXPNPWSGNUQR-UHFFFAOYSA-N	311.647	1.778	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cccc([C@H]2CCOC2)c1	761389919	RRDNUQCUVTTXRI-AWEZNQCLSA-N	303.362	1.545	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CCOC[C@@H]2CCCO2)c1	862477419	JHDJJQIKNZSZHW-NSHDSACASA-N	312.391	1.403	50	20	DDGD	
Cc1cc(F)ncc1C(=O)NNCC(F)(F)C(F)(F)F	869455217	UHHOZUMCRSUYSD-UHFFFAOYSA-N	301.190	1.961	50	20	DDGD	
OB(O)c1cccc(CNc2ccc(-n3ccnc3)c(F)c2)c1	864025149	FNGJKFUYNOKCAX-UHFFFAOYSA-N	311.125	1.303	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)c1cscn1	761637277	RBKYBENCJJFSLQ-UHFFFAOYSA-N	323.399	1.705	50	20	DDGD	
O=C(NNC(=O)C1(F)CCOCC1)Nc1cc(F)cc(F)c1	868115925	HHVCBKDKWHBUMR-UHFFFAOYSA-N	317.267	1.636	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1nc[nH]c1C(C)(C)C	865652847	KPFCZUASSXICAM-UHFFFAOYSA-N	316.361	1.791	50	20	DDGD	
CCc1ccccc1NC(=O)C(=O)NNC(=O)CC(F)(F)F	764117874	XZYPOOKSWIBWEP-UHFFFAOYSA-N	317.267	1.287	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCOc2ccncc21	866927092	BXRJLZNINCDNOJ-UHFFFAOYSA-N	304.799	1.875	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2C[C@]23CCOC3)c1	763728398	NWSAUDFRXZEMLG-WFASDCNBSA-N	305.403	1.739	50	20	DDGD	
COc1ccccc1SCC(=O)NN=C1C[C@@H](C)N(C)C1	761271608	QQBVFGPHOORBIK-LLVKDONJSA-N	307.419	1.984	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)c1ccccn1	761621116	INHHPLUBIVHDMB-UHFFFAOYSA-N	317.370	1.644	50	20	DDGD	
COc1ccc2oc(C)c(C(=O)N3CC[C@@H](B(O)O)C3)c2c1	864233877	KVCQICBWHIGGBV-SNVBAGLBSA-N	303.123	1.439	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)C(=O)c1ccc(Cl)s1	760532539	VFIAJOTWPIKPIA-UHFFFAOYSA-N	321.749	1.770	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)NCCc1ccco1	765626889	NIJZBPUHEDVMJJ-UHFFFAOYSA-N	323.374	1.552	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2ncnc3ccsc23)CC1=O	766676089	GBZBPUVYSMOGKY-QMMMGPOBSA-N	305.363	1.003	50	20	DDGD	
COc1ccc2c(c1)C(C)(C)CC2=NNC(=O)CS(C)(=O)=O	863186576	CIASJGUTMSUEHR-UHFFFAOYSA-N	324.402	1.241	50	20	DDGD	
CCOc1ccc(C(=O)NN=C(C)c2ccnn2C)cc1OC	766001659	GNQJMSOQMOVABK-UHFFFAOYSA-N	316.361	1.981	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)/C=C\[C@@H]1CCOC1	873770613	RZAHHYKIOARJNS-JMEBYUIHSA-N	321.402	1.606	50	20	DDGD	
COc1ccc(C=NNC(=O)CCO)cc1OCCCC#N	1116200761	ZPIGATPDFXDEBL-UHFFFAOYSA-N	305.334	1.210	50	20	DDGD	
COc1cc(F)ccc1NC(=O)NNC(=O)C1CCOCC1	878170839	QLGOFLHMPCJPOE-UHFFFAOYSA-N	311.313	1.414	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	770732663	FNYRANAAGOJCJL-FZMZJTMJSA-N	314.345	1.058	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2CCC(=O)N2C)cc1C	873762883	GVXAKMBYSTVGIX-LBPRGKRZSA-N	320.418	1.242	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2NC(=O)O[C@@H]2C)c(C)c1	873759512	VQYOJWSERPRVQT-MWLCHTKSSA-N	322.390	1.118	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)c1ccccc1C)[C@@H]1CCCO1	773135500	NHKPCYYGNCYBFW-KBPBESRZSA-N	301.346	1.120	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)c1c[nH]cc(Cl)c1=O	1116931745	FWXCIKQMFUDCBR-UHFFFAOYSA-N	315.720	1.728	50	20	DDGD	
COc1c([N+](=O)[O-])ccc(C=NNC(=O)c2ccc(C)o2)c1O	773058054	JHFIVESICHAKSA-UHFFFAOYSA-N	319.273	1.974	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@](C)(O)C(C)C)c1	874946831	XJNNMNNSLZNNRE-CQSZACIVSA-N	313.398	1.859	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)C2CCC2)c1Cc1ccccc1	770476578	RAOAGFUJHURDAP-UHFFFAOYSA-N	312.373	1.572	50	20	DDGD	
CON=CC(=O)NNC(=O)c1ccc(COc2ccccc2)o1	773711632	FYNYSOPUOOTJBK-UHFFFAOYSA-N	317.301	1.252	50	20	DDGD	
COc1ccccc1NCC(=O)NN=Cc1cccc2nccn12	771088748	PLEPKJXPYRLHLV-UHFFFAOYSA-N	323.356	1.905	50	20	DDGD	
COc1cc(C)ccc1NC(=O)C(=O)NNC(=O)C(C)(C)C	775528603	DNBALLNHMQBVQI-UHFFFAOYSA-N	307.350	1.136	50	20	DDGD	
CC[C@H](C)n1nc(C(=O)NNC(=O)CC(F)(F)F)cc1C	778502963	JAOUIGLKHONYOK-ZETCQYMHSA-N	306.288	1.876	50	20	DDGD	
C=CCOc1cccnc1C(=O)NNC(=O)c1ccccc1F	775128455	CWVWMYNFGULDFL-UHFFFAOYSA-N	315.304	1.860	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(N)c(Cl)c1	772138891	HGXXQXRIXHDETB-ZETCQYMHSA-N	313.741	1.025	50	20	DDGD	
C[C@H](CN(C)C)[C@H]1CCCCN1S(=O)(=O)CCCCl	882432105	NDFZPTOVGAWYGL-CHWSQXEVSA-N	310.891	1.997	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@@]1(CO)C[C@H]1c1ccccc1	882204270	LVKUFJYJJRBSSJ-UONOGXRCSA-N	317.838	1.701	50	20	DDGD	
N#CC1=CCN(C(=O)CN2C(=O)CCOc3ccccc32)CC1	780686352	ZEQXWGMXLLKNPM-UHFFFAOYSA-N	311.341	1.484	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2nc(C)c(C)s2)cc1	789746274	JZQGCWHWECKLQB-UHFFFAOYSA-N	320.374	1.850	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccc(Oc2cccnc2)cc1	787950825	PJJZDWBXEFNSSW-UHFFFAOYSA-N	315.329	1.406	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cc(-c2ccncc2)on1	781819052	WIWCLIZKQLJBNV-UHFFFAOYSA-N	316.708	1.937	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1cccc(Br)c1)C1CC1	899937950	URWAHVMBNXTHSG-JTQLQIEISA-N	313.151	1.040	50	20	DDGD	
COc1cc(C)ccc1NC(=O)C(=O)NNc1cc(C)ncn1	783938816	CSYGHKJYRFSCGW-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2CCN(CC(F)(F)F)C2)nc1	899661096	JZTINVZUILECOL-SNVBAGLBSA-N	313.283	1.281	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](C)Oc2cccnc2)c1	780793234	UVDRYTCZTGPMTI-LLVKDONJSA-N	315.329	1.779	50	20	DDGD	
CN(NC(=O)c1cn(C)nc1-c1cnn(C)c1)c1ccccc1	781905466	TUOOQABZXFIKHV-UHFFFAOYSA-N	310.361	1.602	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc2c(c1)O[C@](C)(CC)O2	785866234	AKHCTDQBYUZTHW-OAHLLOKOSA-N	323.349	1.773	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@H]2CC[C@@H](C)C2)c1	780799315	GSSBYDUUFAMXMD-OLZOCXBDSA-N	305.378	1.893	50	20	DDGD	
Cc1cc(NNC(=O)c2n[nH]c3c2C[C@@H](C)CC3)nc(C)n1	896459589	QQSXJEYQDJWZAK-QMMMGPOBSA-N	300.366	1.698	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2c(F)cccc2F)n1	794077433	OZGPSTDFMMFRRX-UHFFFAOYSA-N	305.284	1.672	50	20	DDGD	
CCCN1CCC(NC(=O)NNc2nc3ccccn3n2)CC1	790395867	ZJENZOQGHDHWCR-UHFFFAOYSA-N	317.397	1.230	50	20	DDGD	
CCN(CC)CCC(=O)NN=C[C@H](C)NC(=O)OC(C)(C)C	799108447	XAHVDAZNPKZBPF-LBPRGKRZSA-N	314.430	1.734	50	20	DDGD	
CCn1ncc(NC(=O)NNC(=O)C(C)C)c1C(F)(F)F	799237494	CEKNDLTYMYXYOU-UHFFFAOYSA-N	307.276	1.731	50	20	DDGD	
COc1cc(NNC(=O)Cn2ccccc2=O)ccc1Cl	790177270	CLYDSJPEOPYJGI-UHFFFAOYSA-N	307.737	1.654	50	20	DDGD	
CCOC[C@@H](N[C@@H](C)C(=O)NNC(=O)CC(C)C)C(C)C	794599706	HJXKCZRNJQDORG-QWHCGFSZSA-N	301.431	1.219	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNc1nc2ccccc2c(=O)n1C	793500977	XABXPZCHQLUICE-GWCFXTLKSA-N	318.377	1.438	50	20	DDGD	
C=C(CBr)COC(=O)C1(NC(C)=O)CCCC1	795499897	NVNLGYUXUJTBEZ-UHFFFAOYSA-N	304.184	1.930	50	20	DDGD	
CCOc1cc(/C=C(/C#N)S(N)(=O)=O)cc(Cl)c1O	798231027	DHTWUZSYWVVADJ-BAQGIRSFSA-N	302.739	1.597	50	20	DDGD	
COCCOc1cncc(C(=O)NCCSSC)c1	791152883	QYMKOEVPRCPZJH-UHFFFAOYSA-N	302.421	1.848	50	20	DDGD	
CCOC(=O)[C@H](CC)SCC(=O)NNC(=O)C(C)(C)C	794427090	GOILWFCYBCHKLZ-VIFPVBQESA-N	304.412	1.255	50	20	DDGD	
Cc1cccc(C(=O)NN=C2CCN(c3cnccn3)CC2)n1	794567141	KYQGJYNTYHJSSZ-UHFFFAOYSA-N	310.361	1.566	50	20	DDGD	
CSSCCNC(=O)NCCS(=O)(=O)CC1CC1	790781831	YUDMHBGYAQDMJT-UHFFFAOYSA-N	312.482	1.122	50	20	DDGD	
N#CCCN(Cc1cccnc1)S(=O)(=O)CCCCl	36881603	ROUXDHFMOBVWRY-UHFFFAOYSA-N	301.799	1.756	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)COc2ccccc2F)[nH]1	1319211696	YWEPUNPQVRIFIT-UHFFFAOYSA-N	305.309	1.611	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1cnc(C2CC2)[nH]1	1319255085	MJLWSRZQEWMDTB-UHFFFAOYSA-N	319.390	1.535	50	20	DDGD	
Cc1csc(CCCNC(=O)/C(C#N)=C/c2cnn(C)c2)n1	1327933202	SZRBFZFCDHOSBU-AWNIVKPZSA-N	315.402	1.841	50	20	DDGD	
Cc1cc(F)ccc1CCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	1326749427	MPGHUDQWJGEPPV-SMDDNHRTSA-N	323.368	1.432	50	20	DDGD	
COCc1ccccc1NC(=O)C(=O)NNc1cc(C)ncn1	1326070416	FGCDFXFOOHJXLI-UHFFFAOYSA-N	315.333	1.013	50	20	DDGD	
Cc1nnc([C@@H](C)NC(=O)NNC(=O)CC(F)(F)F)s1	1321069719	DAIRQMINSCNTNE-SCSAIBSYSA-N	311.289	1.190	50	20	DDGD	
O=S(=O)(N[C@H]1C[C@@H](CO)C1)c1ccc(CCCl)cc1	707679811	LVBDNRISSQCCRL-TXEJJXNPSA-N	303.811	1.517	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cncn2-c2ccccc2)ncn1	1323040528	XHEFYYSOKNMAAC-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
C[C@@H]1C(=NNC(=O)C[n+]2ccccc2)CC[C@@H](C(=O)O)C1(C)C	1324914908	VEIIFKGBQZLZAV-OLZOCXBDSA-O	318.397	1.603	50	20	DDGD	
CCc1cccnc1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1320416565	GJXIWXIQUGGBGW-UHFFFAOYSA-N	313.361	1.321	50	20	DDGD	
Nc1cnnc(NNC(=O)NCCc2cccc(F)c2)c1Cl	1333522369	ONLLRPZMZJNEOW-UHFFFAOYSA-N	324.747	1.720	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@@H]2Cc3cc(F)ccc3O2)c1Cl	1333507736	JNADJPDVSTVKCJ-JTQLQIEISA-N	323.715	1.298	50	20	DDGD	
Cn1ccc(CCC(=O)NNc2cncc(Br)c2)n1	1261258231	UZLPWYHHXCAHKA-UHFFFAOYSA-N	324.182	1.654	50	20	DDGD	
CN(C)c1ccc(C=NNC(=O)C[n+]2ccccc2)cc1F	1344416649	XRKNMWCPELDFNR-UHFFFAOYSA-O	301.345	1.330	50	20	DDGD	
CC(C)[C@@H](CNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)ON	1263131022	KKGZWPRXFCLMEX-SRRSOLGSSA-N	319.243	1.971	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2cnn(C)c2)c(Cl)n1	1347784169	STHSZQXHGWCUNK-UHFFFAOYSA-N	308.729	1.243	50	20	DDGD	
CCC(=O)NC1CCN(C(=O)[C@@]2(C)C[C@H]2Br)CC1	1347346184	SQDZIQTUSCEFDU-MFKMUULPSA-N	317.227	1.677	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)cccc1C(=O)O	1607551842	CEPQKTVVUOTOJG-GHMZBOCLSA-N	300.318	1.663	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2c[nH]c3nccc-3c2)cc1	1602128834	ZSKOQLFYCXMXGC-UHFFFAOYSA-N	310.313	1.899	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1cc(C(=O)O)on1	1608480723	ALNGLNUWXDSXTH-UHFFFAOYSA-N	316.195	1.544	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCCO1)c1ccc(OCC(=O)O)cc1	1602987594	SXAGNDWKNMLXDF-CQSZACIVSA-N	320.345	1.559	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=Cc2ccc(C(=O)O)o2)cc1	1608210740	WNXGVLRKIBNRMV-UHFFFAOYSA-N	313.269	1.379	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1ccc2c(n1)CCCN2	1608482804	MMQAJRLBDUFATO-UHFFFAOYSA-N	312.329	1.895	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)cc1F)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21	1601556603	KPVIRGLZJCXSEA-CSVDQLGKSA-N	321.308	1.326	50	20	DDGD	
O=C(CCCC[C@H]1CCSS1)N[C@]1(C(=O)O)C[C@H](O)C1	1601266352	MOVIGWNXQSWYJW-OUJBWJOFSA-N	319.448	1.795	50	20	DDGD	
Cc1c(NNC(=O)C[C@H](C)n2cccn2)cccc1C(=O)O	1607553261	OBYXQUQOBPZUBL-JTQLQIEISA-N	302.334	1.984	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cn(-c3ccccc3)nn2)c1	1610848307	CNMUMNKMFMLNCM-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
O=C(NNC(=O)c1cccc(C(=O)O)n1)Nc1ccccc1	1610699738	CIVJIFWTCOMTAC-UHFFFAOYSA-N	300.274	1.246	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@H]1C=NNC(=O)c1ccncc1	1552759762	MJWDEOATFIGXDB-KBPBESRZSA-N	313.361	1.791	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C=NNC(=O)c1cnsn1	1552920391	NIGRALUNZVXFGK-BXKDBHETSA-N	320.378	1.155	50	20	DDGD	
COCCN(CC(C)C)NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2N1	1579026163	OOFOOLMMOFISOP-JYJNAYRXSA-N	311.470	1.933	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCC[C@](N)(CO)C1	1580035672	CQPVKOCILKGHOO-WDBUWWRISA-N	303.337	1.045	50	20	DDGD	
N[C@@H]1CC=C(C(=O)NNC(=O)Cc2cccc3ccccc23)C1	1580168162	CAZFPNDUUYLXFZ-OAHLLOKOSA-N	309.369	1.577	50	20	DDGD	
O=C([C@H](F)Cl)N1CCCC12CN(C(=O)C13CC(F)(C1)C3)C2	1843362128	DUEOERQFZPMHJW-ALXWSUNGSA-N	318.751	1.616	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1	1591540737	JXHAUWQQLGUJEM-UHFFFAOYSA-N	317.284	1.099	50	20	DDGD	
CC[C@@H](C)[C@H](NNC(=O)c1ccc(OC)cc1OC)C(=O)O	1594922416	ZFNAKLQZPADIFT-RNCFNFMXSA-N	310.350	1.438	50	20	DDGD	
CNc1nc(C)ccc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1591225364	JEZMVQRTHMKUNI-UHFFFAOYSA-N	324.348	1.369	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(C(=O)O)cc1OCC	1596463109	PCIAWXCFHLDEMW-UHFFFAOYSA-N	324.337	1.481	50	20	DDGD	
CC[C@](C)(C=NNC(=O)c1cccc(-c2nn[nH]n2)c1)OC	1590379977	KQVDSFHEOVJVFG-CQSZACIVSA-N	302.338	1.397	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cc(C(=O)O)ccn2)c1	1598999938	WFYFTPRZQCOHLY-UHFFFAOYSA-N	315.285	1.323	50	20	DDGD	
CC(C)(C)n1cnc(C(=O)NNc2ccccc2C(=O)O)n1	1590602731	CJWAZJDXVDUBKW-UHFFFAOYSA-N	303.322	1.488	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)C1Cc2ccccc2C1	1593164782	OVAPAGBHYUMPAH-UHFFFAOYSA-N	321.344	1.120	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1ncc(F)cc1F	1599378042	QGNPYNJEPCELSB-UHFFFAOYSA-N	323.255	1.824	50	20	DDGD	
COc1ccc(C(=O)O)cc1C=NNC(=O)c1ccc(N)cc1	1776014877	KNPGMDSZABDXGT-UHFFFAOYSA-N	313.313	1.740	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=C(C)c1cc(C(=O)O)c(C)nc1C	1776102400	OTPRFYHETVDCSN-ZIAGYGMSSA-N	319.361	1.662	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccc(F)cc1Br	14800680	VNHAGHOTDZFHFP-UHFFFAOYSA-N	301.115	1.759	50	20	DDGD	
Cn1cnc(-c2ccc(NC(=O)NNC(=O)C(C)(C)C)cc2)n1	161384508	YZNVQOBRMDMSME-UHFFFAOYSA-N	316.365	1.681	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1	162133958	RVZXBNODJDNVRN-UHFFFAOYSA-N	318.377	1.922	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1NCC(=O)NNC(=O)c1cccc(C#N)c1	162362931	FEFIQWXKRFDHJO-DOMZBBRYSA-N	314.389	1.488	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2c[nH]c3cc(F)ccc23)[nH]n1	152985880	BINAQUWOHMKDOX-UHFFFAOYSA-N	315.308	1.342	50	20	DDGD	
O=C(NNC(=O)c1cc(F)cc2cccnc12)c1cccnc1	156546419	IAYLISRQIVNSIX-UHFFFAOYSA-N	310.288	1.844	50	20	DDGD	
CN([C@@H](CO)Cc1ccccc1)S(=O)(=O)CCCCCl	849407572	KSYRBPQVYFFJDZ-CQSZACIVSA-N	319.854	1.871	50	20	DDGD	
O=C1NC[C@H]2CN(C[C@@H](CBr)C3CC3)CCN12	859160667	JLPPZUVBGNGNSM-MNOVXSKESA-N	302.216	1.117	50	20	DDGD	
O=S(=O)(NCC(Cl)Cl)c1cnc(Cl)c(F)c1	309247062	MCLMSBUDBMJYFN-UHFFFAOYSA-N	307.561	1.956	50	20	DDGD	
O=S(=O)(NCCCn1cccn1)c1ccc(CCl)cc1	379998122	OKEROJZICMDPIJ-UHFFFAOYSA-N	313.810	1.991	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2ccnn2C)c1C	6632429	AXCZRBNZENNPPC-UHFFFAOYSA-N	303.391	1.668	50	20	DDGD	
Cc1ccc(C(=O)NNC(=S)NC[C@H]2CCCO2)c(C)c1	7527560	RLIGXUWPHPYFFV-GFCCVEGCSA-N	307.419	1.591	50	20	DDGD	
COc1ccccc1C(C)(C)C(=O)NNC(=O)[C@@H]1CCCO1	58806622	GURWIWDUSQMUEO-ZDUSSCGKSA-N	306.362	1.299	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1ccc(N2CCCC2)nc1	114895562	UPSLYERLZIYNID-UHFFFAOYSA-N	318.768	1.882	50	20	DDGD	
Cc1ccc(C)c(S(=O)(=O)NNC(=O)Cc2cccnc2)c1	103426201	PEQONXBDICKFPQ-UHFFFAOYSA-N	319.386	1.251	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F	116165818	KFTBKVAVEPKWIZ-UWVGGRQHSA-N	319.311	1.868	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CN1CCCCC1=O)c1ccccc1	110340738	YDCFDXLIHIWVLE-AWEZNQCLSA-N	317.389	1.340	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)CC2CCC2)nc2ccccc21	173063366	LNVABUXXUNZJDP-UHFFFAOYSA-N	300.362	1.453	50	20	DDGD	
NC(=O)Nc1cccc(C(=O)NNc2ccccc2[N+](=O)[O-])c1	61470577	VHPVGBADNGEWGJ-UHFFFAOYSA-N	315.289	1.842	50	20	DDGD	
CC1CCN(c2ccc(C(=O)NNc3cccnn3)cn2)CC1	172370005	PUHYGIZJHHFEGR-UHFFFAOYSA-N	312.377	1.865	50	20	DDGD	
CCc1onc(C)c1NC(=O)C(=O)NNc1cccc(C#N)c1	119498846	HHIJTUZVZJPJLF-UHFFFAOYSA-N	313.317	1.499	50	20	DDGD	
O=C(NNc1ncccc1Cl)c1ccc(-n2cnnn2)cc1	172269699	LERWDMQMJHSIRT-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
CCOc1ccc(OCC(=O)NNC(=O)NCC2CC2)cc1	65197226	IEEPZWLCDPWGNL-UHFFFAOYSA-N	307.350	1.205	50	20	DDGD	
CS(=O)(=O)CC1(CC(=O)NNc2cccc(Cl)c2)CC1	176498105	LKFQNLNHITYIBB-UHFFFAOYSA-N	316.810	1.998	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1[nH]c(C)c(C(C)=O)c1CC	64882738	UVOXQPQUGHVNLC-UHFFFAOYSA-N	308.382	1.832	50	20	DDGD	
C=C(Br)CNC(=O)NNc1ccc(Cl)nn1	69119050	YTDYIQSKHGGQJM-UHFFFAOYSA-N	306.551	1.665	50	20	DDGD	
CSc1cccc(NC(=O)C(=O)NNc2ccccn2)c1	181417461	HQEUXWITCIVGSD-UHFFFAOYSA-N	302.359	1.885	50	20	DDGD	
C=C[C@](C)(CCOC)C(=O)NNC(=O)c1ccc(C#N)cc1	187612243	JXQHRWIFMRWIMV-MRXNPFEDSA-N	301.346	1.548	50	20	DDGD	
C#CCOc1ccccc1NC(=O)C(=O)NNc1ccccn1	185586042	OIADEPDIDXKMOE-UHFFFAOYSA-N	310.313	1.175	50	20	DDGD	
CC[C@@H](C)[C@H](C)NC(=O)NNC(=O)COCc1ccccc1	124555524	RGRULNRRBUPKOU-OLZOCXBDSA-N	307.394	1.968	50	20	DDGD	
CCCCCS(=O)(=O)CC(=O)NNc1cc(C)nc(C)n1	129037654	QZZMZDCVIVVGLA-UHFFFAOYSA-N	314.411	1.142	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)co1	187970059	GVQMGDCXUCLOEL-UHFFFAOYSA-N	322.342	1.066	50	20	DDGD	
O=C(NNC(=O)c1cccc(OC(F)F)c1)NC1CC=CC1	120388922	VILBFBOKSHQUJU-UHFFFAOYSA-N	311.288	1.951	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cc(C)n[nH]2)c(C)c1	184799215	IFEFUSXUMUEBIW-UHFFFAOYSA-N	303.322	1.502	50	20	DDGD	
C[C@@H](c1ccncc1)N(C)CC(=O)NNC(=O)c1ccccc1	180202935	HWVKSOBOEDPYFF-ZDUSSCGKSA-N	312.373	1.536	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CSc1ccccc1Cl	190046895	ODFIJTCMPHAONP-UHFFFAOYSA-N	302.783	1.350	50	20	DDGD	
C[C@H](O)C[C@H]1COCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	194866670	AZMDFTHZSGYQLP-PYFIYEJZSA-N	316.357	1.297	50	20	DDGD	
Cc1oc(-c2cccs2)nc1CC(=O)NNC(=O)N(C)C	194921727	JDEUZWAXEXOXPE-UHFFFAOYSA-N	308.363	1.556	50	20	DDGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccnn2C)cc1	192981739	WKMJFHVVYVZSBF-RAXLEYEMSA-N	323.356	1.668	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)c1cccc(-c2ccoc2)c1	89757422	WYNWWQFIODLXJD-UHFFFAOYSA-N	315.329	1.232	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cnc(C3CC3)nc2)cc1	131517724	IXSMBKQMMNQHGQ-UHFFFAOYSA-N	311.345	1.744	50	20	DDGD	
O=C(C[C@@H]1CCCCO1)NNC(=O)Cn1cnc2ccccc21	86978691	PPCQNXXDPVMBOA-LBPRGKRZSA-N	316.361	1.143	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)Nc1nccs1	42755671	RXPQFNJXLJZMJU-UHFFFAOYSA-N	310.310	1.514	50	20	DDGD	
O=C(CCOCc1ccccc1)NNc1nc2ccccn2n1	191915526	RUFKJCMRAOSRLM-UHFFFAOYSA-N	311.345	1.779	50	20	DDGD	
COC(=O)C[C@H]1CCCCN1S(=O)(=O)CCCCCl	228332806	YSQOSHQNNSHJSR-LLVKDONJSA-N	311.831	1.753	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NN1Cc2ccccc2C1=O	194849830	OLBZHFQJQZQJIR-NTEUORMPSA-N	319.320	1.986	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1ccc(SC(F)(F)F)cc1	194357770	PPOKYBZSEMAFRQ-UHFFFAOYSA-N	314.310	1.628	50	20	DDGD	
CCCc1csc(NC(=O)C(=O)NNC(=O)[C@H](C)CC)n1	193288753	OOFPKGQHUAHWDZ-MRVPVSSYSA-N	312.395	1.228	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1ccc(Cn2ccnc2)cc1	97334454	DEKKZJPBFYRQIG-UHFFFAOYSA-N	309.329	1.334	50	20	DDGD	
COc1ccc(C=NNC(=O)COc2ccccc2O)cc1	254504890	IDCCYQHKLKNZNA-UHFFFAOYSA-N	300.314	1.930	50	20	DDGD	
CCC(=O)c1cccc(S(=O)(=O)NNC(=O)CC(C)C)c1	269411272	JEODUSRVPMEVAZ-UHFFFAOYSA-N	312.391	1.635	50	20	DDGD	
C[C@H](OC[C@H]1CCCO1)C(=O)NNc1nccnc1Cl	265152394	KUAQCZGXVOKZCN-DTWKUNHWSA-N	300.746	1.157	50	20	DDGD	
CSc1nc(C2CC2)nc(C)c1C(=O)NNC(=O)NC1CC1	266783556	ABHYTQYLCKPOMI-UHFFFAOYSA-N	321.406	1.491	50	20	DDGD	
O=C(NC[C@H]1CCOC1)NNc1ccc(OC(F)F)cc1	263817034	IQPGLTGRBNZBQN-SECBINFHSA-N	301.293	1.951	50	20	DDGD	
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CC=C(C#N)CC1	271143142	SNFWFMPRHRBQCO-CQSZACIVSA-N	301.346	1.716	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@@H]1C[C@@]12CCOC2	368481559	HRJIZCYVOCXPEK-XHDPSFHLSA-N	324.764	1.536	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C[C@](C)(O)C1CC1	270028018	CSRHNSNLSWKPCQ-HWPZZCPQSA-N	324.352	1.292	50	20	DDGD	
CCc1cccc(C)c1NC(=O)C(=O)NNC(=O)CC1CC1	274080671	QSOVDBIHZXDBJV-UHFFFAOYSA-N	303.362	1.443	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1cccc(Br)n1	272123824	TVQDHUVQTMORKX-CLFYSBASSA-N	311.135	1.941	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(C2=NCC(C)(C)S2)CC1	270001412	NEVNIBKGRSRGRZ-ZRDIBKRKSA-N	322.434	1.456	50	20	DDGD	
CCONC(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1	275075363	CLYVUKDOOCCPTM-LLVKDONJSA-N	317.345	1.889	50	20	DDGD	
CC(=O)Nc1cc(S(=O)(=O)N2CC=C(C#N)CC2)ccc1C	272713481	CZZVGXCVXMGQQI-UHFFFAOYSA-N	319.386	1.798	50	20	DDGD	
COC(=O)CSCCC(=O)NNc1nnc(C2CC2)s1	273550937	BUUJYAREIZPVQQ-UHFFFAOYSA-N	316.408	1.155	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(OCC(=O)NC)cc1	273442917	ZBYPEXZDEBXMSF-JTQLQIEISA-N	322.365	1.010	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1ccc(C(F)(F)F)nn1	270056349	OTQJVNLJMMMPOR-UHFFFAOYSA-N	321.259	1.075	50	20	DDGD	
CNC(=O)c1cccc(NC(=O)NNC(=O)OC(C)(C)C)c1	272330791	KJHXFDGDBUFSFM-UHFFFAOYSA-N	308.338	1.607	50	20	DDGD	
CC(=O)NNC(=O)CCn1c(S)nnc1-c1ccc(C)cc1	276411186	DWJLGUXOPKFPQP-UHFFFAOYSA-N	319.390	1.100	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NC2CC2)cnn1C1CCCCC1	272919742	NUXVCYXYJBRBAF-UHFFFAOYSA-N	305.382	1.803	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCC(=O)OC(C)(C)C)c(O)c1	277470010	HTHPWAFNERQIGI-UHFFFAOYSA-N	322.361	1.584	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1ccnn1CC(F)F	286953209	KQRGLMNHCUGUIO-UHFFFAOYSA-N	322.319	1.963	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)c1cc2ccccc2cc1O)C1CC1	280702491	WZFQWSZZRIKLHL-OAHLLOKOSA-N	314.341	1.731	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(S(=O)(=O)C(C)C)cc1	286185221	CQIBAXLGADURPY-UHFFFAOYSA-N	314.363	1.212	50	20	DDGD	
O=C(NNc1ccccc1F)[C@@H]1CC12CCS(=O)(=O)CC2	288160683	MAMOSRAGTDRNAI-JTQLQIEISA-N	312.366	1.484	50	20	DDGD	
CC(C)(C(=O)NNc1cnc2ccccc2n1)N1CCOCC1	283944924	ZIBQNNBSXCCBMK-UHFFFAOYSA-N	315.377	1.184	50	20	DDGD	
C[C@@H]1CC[C@H](CC(=O)NNc2ccc(-n3ccnc3)nn2)C1	286682893	QDQKKXRPLDPDGX-NEPJUHHUSA-N	300.366	1.932	50	20	DDGD	
CSSCCNC(=O)Cn1c(=O)n(C)c2ccccc21	284216856	UXHPFYYHKUKGGX-UHFFFAOYSA-N	311.432	1.467	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1c(C)cc(F)cc1C	280879565	DWGLTPSPFOVKPD-UHFFFAOYSA-N	303.359	1.297	50	20	DDGD	
CS(=O)(=O)c1ccccc1CC(=O)NNc1ccnc(F)c1	803090282	ZJLRHSRVDJBNNA-UHFFFAOYSA-N	323.349	1.310	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@H](C)OCC)cc1OC	298490310	HFUWXBITIQBGAB-JTQLQIEISA-N	310.350	1.280	50	20	DDGD	
CC[C@](O)(C(=O)NNC(=O)CC1CC1)c1cccc(Cl)c1	294159195	MXRZBOHRWJZRMV-OAHLLOKOSA-N	310.781	1.885	50	20	DDGD	
COC(=O)N(C)NC(=O)CC(C)(C)NC(=O)OC(C)(C)C	804125148	LINSHCYJVIELQP-UHFFFAOYSA-N	303.359	1.409	50	20	DDGD	
CCN(Cc1ccc(C(=O)NNc2nnc[nH]2)cc1)C(C)C	293958876	PRJRJWBOAKNMSD-UHFFFAOYSA-N	302.382	1.792	50	20	DDGD	
O=C(NNc1ncccc1F)[C@H]1C[C@@H](c2ccccc2)OC1=O	809891648	VLPRWVHUHGQYKP-YPMHNXCESA-N	315.304	1.968	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)O1	294383772	WRDLURYVBNJWFF-DJFWLOJKSA-N	324.327	1.783	50	20	DDGD	
CSc1nc(C)c(CCC(=O)NNC(=O)CC2CC2)c(C)n1	294147653	MCTHLLZMRWTVPB-UHFFFAOYSA-N	322.434	1.695	50	20	DDGD	
CN(CCCNC(=O)NNc1ccncn1)c1ccccc1F	296306272	JULVNCOGLMZCJJ-UHFFFAOYSA-N	318.356	1.768	50	20	DDGD	
CCCc1nc(C)c(CNC(=O)NNc2ncncc2F)o1	294167847	IQCVVAQRUSTUNI-UHFFFAOYSA-N	308.317	1.691	50	20	DDGD	
CC[C@H](C(=O)NNc1cc(C(F)(F)F)ccn1)C(=O)OC	295360696	NZDZRWFGJAEFPP-MRVPVSSYSA-N	305.256	1.743	50	20	DDGD	
O=C(NCC(Cl)Cl)c1cc2c(c([N+](=O)[O-])c1)OCO2	297105552	NUHZBYIFRSNMII-UHFFFAOYSA-N	307.089	1.857	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Nc1ccc(Cl)cc1)n1cccn1	802019396	FGKAEICXJMESSS-SECBINFHSA-N	307.741	1.950	50	20	DDGD	
CCC[C@H]1CCC[C@H]1C(=O)NNC(=O)Cn1nc(C)cc1C	294183323	AOKAGZHJYGAFQO-UONOGXRCSA-N	306.410	1.864	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)OCCc2ccccc2)[nH]n1	294826214	DCORQSWLXVUWAM-GFCCVEGCSA-N	316.361	1.127	50	20	DDGD	
O=C(NN=C1COCCOC1)c1ccc(Br)s1	814760070	YZRASXFWSSIDFU-UHFFFAOYSA-N	319.180	1.643	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1ccc(CN(C)C)cc1	814913788	VVLRYRHOGVDCOM-UHFFFAOYSA-N	317.437	1.429	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2COc3ccccc32)cc1	814768139	KEWBKXZUBYIIEY-UHFFFAOYSA-N	309.325	1.846	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CC[C@H]2CNc3cccc1c32	814761529	ZHLROZZZVQAXJV-NSHDSACASA-N	312.373	1.432	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2cnc(N(C)C)n2C)c(O)c1	811639040	MRBSRVUBTYBODT-UHFFFAOYSA-N	301.350	1.264	50	20	DDGD	
CC(=NNC(=O)N=c1cc[nH]cc1)c1cccc(-n2cnnc2)c1	815003127	GCCRGFZKLCCVER-UHFFFAOYSA-N	321.344	1.630	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)NCC(Cl)Cl	818904682	QWMRZEHBXHKSDI-PSASIEDQSA-N	306.193	1.901	50	20	DDGD	
CC(C)CCC=NNC(=O)Cn1nnc(-c2ccccc2)n1	814704437	MLFPWDCSVMLLGE-UHFFFAOYSA-N	300.366	1.878	50	20	DDGD	
C[C@@H]1CCCC[C@H]1C(=O)NNC(=O)[C@H]1COc2ccccc2O1	819003474	WYGMYOLVXISMAV-LALPHHSUSA-N	318.373	1.800	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCSC[C@H]1c1ccccc1	827834590	PWPDCRJJINHQIC-AWEZNQCLSA-N	321.446	1.580	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@H]1COCc2ccccc21	496536754	BTEGEFPPWCDBIX-LBPRGKRZSA-N	307.350	1.997	50	20	DDGD	
CN(C)Cc1cccc(CNC(=O)/C(C#N)=C/c2cnn(C)c2)c1	491127853	BUTYZVVHSYLRIU-CAOOACKPSA-N	323.400	1.705	50	20	DDGD	
COC(=O)[C@](C)(NC(=O)/C(C#N)=C/c1ccc(O)cc1)C1CC1	490906538	DHWGAQIKKBEDBD-XLNAKTSKSA-N	314.341	1.757	50	20	DDGD	
CCN(C)c1ccc(/C=C(/C#N)C(=O)N[C@@H](C)COC)cn1	491106509	SPJYTAQFDVMMPZ-QENILXLESA-N	302.378	1.596	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1CCCOC1	727705566	VKHGFMTVENIWFQ-DLUQRMLASA-N	306.406	1.777	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC(F)(F)[C@H](C)C1	827268225	MLTFRSDMWNJQMC-UTLUCORTSA-N	305.325	1.129	50	20	DDGD	
O=C(NNc1cccc(F)c1F)c1cccc(-c2nn[nH]n2)c1	823280563	BDDSMCFEARMCDU-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
C=CCNC(=S)NNC(=O)/C=C\c1ccc2[nH]ccc2c1	492338629	AICDMGDPNORGTR-XQRVVYSFSA-N	300.387	1.862	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)NOCc1ccccc1	728753167	YHZSLZPJWGDEDZ-UHFFFAOYSA-N	301.302	1.468	50	20	DDGD	
OB(O)c1ccc(CNCCCc2nc3c(s2)CCCC3)o1	585019798	HKPMRUOJASVVRV-UHFFFAOYSA-N	320.223	1.017	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCc3nn[nH]c3C2)cc1	490689734	BKVSPMJEKMXKNI-UKTHLTGXSA-N	323.356	1.695	50	20	DDGD	
Cc1cc2occ(CC(=O)N3CC[C@@H](B(O)O)C3)c2cc1C	585076423	XKNFHWZDQJKDOC-CYBMUJFWSA-N	301.151	1.667	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)N2CCN(C)CC2)cc1C	901226709	DNBBNFZLFSVTLO-UHFFFAOYSA-N	318.377	1.073	50	20	DDGD	
C[C@H](COc1ccccc1F)NCc1ccc(B(O)O)cc1	585019060	AGFGFYZJMKWREM-GFCCVEGCSA-N	303.142	1.063	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1C[C@@H]2CCCCCC[C@@H]21	584959687	KGTDYTZGLNAEAM-NHYWBVRUSA-N	305.158	1.300	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCc3cc(Cl)ccc32)c(F)c1	585020831	ADCBSGBKPXWMFD-MRXNPFEDSA-N	319.572	1.936	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)NNc1ncccn1	497205675	YFKRUPKJGLMGLC-LLVKDONJSA-N	321.381	1.709	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCc2nccs2)cc(C#N)n1C	490609808	BHPDGBSWJXMBTJ-LFYBBSHMSA-N	311.370	1.885	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	494141797	LMQPGIQXMGSUGG-SNVBAGLBSA-N	301.387	1.485	50	20	DDGD	
CC(C)(C)OC(=O)C1(C(=O)N2CC=C(C#N)CC2)CCOCC1	907170639	GCLDIPMYDBUBHO-UHFFFAOYSA-N	320.389	1.807	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)C1=Cc2ccccc2OC1	901964541	NDICQPSLTNVMEU-UHFFFAOYSA-N	320.370	1.174	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)[C@H]2CCO[C@@H]2C)cc1C	901257859	DFKDCRNYMKTJFG-RISCZKNCSA-N	304.346	1.657	50	20	DDGD	
COc1cccc2c1OCCCC2=NNC(=O)c1ncon1	901287080	OLSZOYZWZBPIOI-UHFFFAOYSA-N	302.290	1.385	50	20	DDGD	
CCOC(=O)[C@H](C)[C@H](C)NC(=O)[C@@]1(C)C[C@@H]1Br	907347429	GAIFFHGSRTZLLC-ARHDFHRDSA-N	306.200	1.864	50	20	DDGD	
O=C(CC1COC1)NNC(=O)c1cc(-c2ccccc2)on1	900045493	UXTMBGCLBVLATO-UHFFFAOYSA-N	301.302	1.139	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H]2C[C@H]2C(=O)O)cc1	736296369	APGGYSIVKABFGR-NWDGAFQWSA-N	304.346	1.466	50	20	DDGD	
C=C(CC)CNC(=O)NNC(=O)COc1ccccc1CC	838719947	MUSYEKGITIMJIM-UHFFFAOYSA-N	305.378	1.924	50	20	DDGD	
CCc1c(NCc2ccc(B(O)O)cc2)cnn1CCC(C)C	585037748	IVVSXSZRSAHPCT-UHFFFAOYSA-N	315.226	1.784	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccn(C2CCCC2)n1	833246285	HFNZXDMUPUXGIO-CYBMUJFWSA-N	306.366	1.328	50	20	DDGD	
O=C(NNc1cnccn1)[C@H]1CCCN(Cc2cccnc2)C1	734245450	CZTMCPCHWAXCTR-AWEZNQCLSA-N	312.377	1.227	50	20	DDGD	
CC(C)OCCCCNC(=O)NNC(=O)[C@@H]1CCCCO1	836393818	PQGDCACRKYSPIR-LBPRGKRZSA-N	301.387	1.091	50	20	DDGD	
CCC[C@H](C)NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1cnn(C)c1	837969478	OFDZWIUBAINWFW-GWJSJLEESA-N	318.377	1.564	50	20	DDGD	
O=S(=O)(CCl)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1	830995852	NIMJRJLEIITZDY-SECBINFHSA-N	304.803	1.388	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=CCCc2cnoc2)C[C@@H](C)O1	834932837	GTADURDMSHIYBF-MELADBBJSA-N	322.409	1.455	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CCCCN2C)c(F)c1	837206965	IYMLBGCLIHEDFX-CYBMUJFWSA-N	309.341	1.540	50	20	DDGD	
C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cc(B(O)O)ccc1F	584961363	QXHMEVKMKXUXPP-YGRLFVJLSA-N	307.174	1.450	50	20	DDGD	
CC1(Cc2ccccc2)CN(C(=O)c2cccc(B(O)O)c2)C1	584980801	KUXADFNBJSVTTK-UHFFFAOYSA-N	309.174	1.071	50	20	DDGD	
C[C@@]1(C(=O)N2CCN(c3ccncc3)CC2)C[C@H]1Br	905360091	SHCSHJXFTLFVOP-TZMCWYRMSA-N	324.222	1.904	50	20	DDGD	
Cc1cccnc1[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(C)C	584947336	LYKJXULCJDEYOA-HNNXBMFYSA-N	312.178	1.197	50	20	DDGD	
CCN(Cc1cnn(C)c1)C(=O)[C@]1(C)C[C@H]1Br	906436001	NQNVMQDUPSTDSP-ZYHUDNBSSA-N	300.200	1.942	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@H]2CCCC2(F)F)o1	836604507	UUMKWCSOFKSCPL-SECBINFHSA-N	301.293	1.967	50	20	DDGD	
C[C@@H](Sc1ccccn1)C(=O)NNc1ccc(C(=O)O)cn1	833545227	OUAHMYFZQJDAMZ-SECBINFHSA-N	318.358	1.799	50	20	DDGD	
CO[C@]1(C)C[C@H](NC(=O)NNC(=O)[C@H]2CCCCO2)C1(C)C	836336023	UQQJCRSBMIOIOO-JRPNMDOOSA-N	313.398	1.090	50	20	DDGD	
C[C@H]1CC(=NNC(=O)CNc2ccccc2F)c2nccn21	834921673	XQKPNJUWTNZDRW-JTQLQIEISA-N	301.325	1.919	50	20	DDGD	
COCCc1ccccc1NCc1ccc(B(O)O)cc1F	585036967	PVOCOUMYEIRDQI-UHFFFAOYSA-N	303.142	1.307	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NNC(=S)NC(C)(C)C	917571792	FQAVCWFXWMAYAH-LLVKDONJSA-N	300.472	1.402	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)ccc1F	831705956	KUVOIUNVFAEHES-SCZZXKLOSA-N	311.313	1.412	50	20	DDGD	
COC(=O)[C@@H](C)[C@H](NS(=O)(=O)CCl)c1ccccc1	830767640	AZWDBKTVFIHPBS-ONGXEEELSA-N	305.783	1.653	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CC1(C)C	831854222	RQNNWFVXUUYIPD-OAHLLOKOSA-N	313.398	1.437	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1ccc(OC)c2ccccc12	917720390	OLMIUTYGFDYVBV-UHFFFAOYSA-N	308.359	1.568	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2csc(S(N)(=O)=O)c2)cc1	748116675	BYWIFSHEBOFXGU-UHFFFAOYSA-N	322.371	1.024	50	20	DDGD	
Cc1n[nH]c(C)c1C=NNC(=O)COc1ccccc1[N+](=O)[O-]	915948999	ZAGMFLYTCGVPAM-UHFFFAOYSA-N	317.305	1.464	50	20	DDGD	
COc1cccc2cc(C(C)=NNC(=O)C(=O)NC(C)C)oc12	744817268	HPDBUMAHQKCRPI-UHFFFAOYSA-N	317.345	1.806	50	20	DDGD	
CC[C@H](Cc1ccccc1)C(=O)NNC(=O)CN1CCCC1=O	913730765	IOYWMPUPVXLYQK-CQSZACIVSA-N	317.389	1.025	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H](C)CN2C[C@H](C)O[C@H](C)C2)no1	841614701	PDPPNSLVKPMFJO-RTXFEEFZSA-N	308.382	1.178	50	20	DDGD	
O=C(NNC(=O)c1cccc(CO)c1)c1ccc(Cl)cc1	745475646	HISUBJBHOQFOBZ-UHFFFAOYSA-N	304.733	1.907	50	20	DDGD	
CC(=NNC(=O)c1cc(Br)c[nH]1)c1cn(C)nc1C	917541040	KLHHRVIUBBMMAZ-UHFFFAOYSA-N	324.182	1.973	50	20	DDGD	
O=C(NCCOC1CCC1)NNC(=O)c1cccc(Cl)c1	743694706	HFNAKORRALQVDU-UHFFFAOYSA-N	311.769	1.853	50	20	DDGD	
CCCC(C)(C)C(=O)OCC(=O)NNC(=O)c1ccccc1	845356736	LTJMZGBFPDWMKN-UHFFFAOYSA-N	306.362	1.817	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)[C@H]1CCc2nnnn2CC1	845919061	VDFBKDHVJOGOEF-LBPRGKRZSA-N	323.360	1.317	50	20	DDGD	
CCc1ccc(CCNC(=O)NNC(=O)c2ncccn2)cc1	841583411	XQWUXKBYCAPVJA-UHFFFAOYSA-N	313.361	1.226	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1ccc(OC)cc1O	748253633	PMHLKCUCYKIRLM-LLVKDONJSA-N	310.350	1.293	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@@H]2OCC)cc1	916163111	QEWOMLYXOGCMAQ-OLZOCXBDSA-N	323.418	1.828	50	20	DDGD	
COc1cccc([C@@H](C)C(=O)NNC(=O)CC(F)(F)F)c1	919751015	MRHKWDWBUMUSFU-MRVPVSSYSA-N	304.268	1.899	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccc(OC)cc1	843663437	XJLLYRMYAIWGKY-UGFHNGPFSA-N	320.389	1.761	50	20	DDGD	
Cc1c(C(=O)O)oc2c1C(=NNC(=O)[C@H]1CCO[C@@H]1C)CCC2	842552108	AWVZRRNVXCZWIW-ZJUUUORDSA-N	320.345	1.868	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=C[C@]2(OC)CCOC2)o1	841621974	JFOCZTMTFTUDNW-MRXNPFEDSA-N	323.393	1.643	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1nc(Cl)ccc1F	843663490	XVMFYBADUJSOJA-NKWVEPMBSA-N	301.705	1.060	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1ccc2c(c1)OC(F)(F)O2	842549705	PIEOFMGRSLOIOH-WCBMZHEXSA-N	312.272	1.883	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)[C@H]1COc2ccccc2O1)C1CCCC1	749332190	SNHGSJUITGUXKF-IAQYHMDHSA-N	318.373	1.800	50	20	DDGD	
Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)C(=O)NN	841199226	DBCCZIHNBKJKFC-UHFFFAOYSA-N	315.377	1.407	50	20	DDGD	
CC(=O)NNC(=O)Nc1cc(F)cc(N2C[C@H](C)O[C@H](C)C2)c1	844829800	HFJTWJNCMLDQBE-AOOOYVTPSA-N	324.356	1.612	50	20	DDGD	
CCNC(=O)NNC(=O)c1c(C)n(C)c2ccc(OC)cc12	843775064	OREUPJNHBGJLEI-UHFFFAOYSA-N	304.350	1.459	50	20	DDGD	
O=C(CN1CCCC(F)(F)C1)NNC(=O)c1ccc(F)cc1	844373989	BYNIFYOMOPZKDV-UHFFFAOYSA-N	315.295	1.318	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc(OC)c1C	843644894	GXDMUJQLQVDLCD-JQWIXIFHSA-N	322.361	1.198	50	20	DDGD	
O=C(NNC(=O)c1ccc(O)cc1O)c1cccc([N+](=O)[O-])c1	844253419	MWQZQMJBQHZHJL-UHFFFAOYSA-N	317.257	1.081	50	20	DDGD	
COc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843662566	UCHFWYDXZLAHGW-UZGDPCLZSA-N	318.373	1.371	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2ccc(OC(F)F)cc2)CCC1	748649262	PXEZBFNKTCMNIP-UHFFFAOYSA-N	313.304	1.647	50	20	DDGD	
Nc1c(O)nc(O)nc1C(=O)NNc1ccc(Cl)c(F)c1	748879783	XRIJSFOLWJESPE-UHFFFAOYSA-N	313.676	1.019	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNc2ccnc(N(C)C)n2)c1	740117401	GPDCBYXNXJGXFP-LBPRGKRZSA-N	315.377	1.762	50	20	DDGD	
CCn1ncnc1C=NNC(=O)[C@@H](C)CN1CCCCCC1	848401918	NSUHQECDXOFXAG-ZDUSSCGKSA-N	306.414	1.260	50	20	DDGD	
O=C(NNC(=O)c1nccn2ccnc12)c1cccc(Cl)c1	743283292	ZECDHUMQEGBXBG-UHFFFAOYSA-N	315.720	1.458	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2cnc3cnccn23)c(C)c1	746368964	QBMIQHHUPKAGLN-UHFFFAOYSA-N	322.372	1.908	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C[C@@H](C)N1CCc2ccccc21	847686713	IDOMTXZMQFJQRH-GFCCVEGCSA-N	304.394	1.520	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(C(F)(F)F)cn1	920766612	LFZCMALCZPCPRX-UHFFFAOYSA-N	304.272	1.845	50	20	DDGD	
COc1ccc2c(c1)OCC2=NNC(=O)Cc1csc(C)n1	749156433	DTRYMKXTHIUVJO-UHFFFAOYSA-N	317.370	1.916	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1ccncc1F	755182667	ACZUQNMWNJKSCP-UHFFFAOYSA-N	301.203	1.786	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cccc(SC(F)F)c1	756333051	FXIXMEQXBMZLIG-UHFFFAOYSA-N	305.306	1.800	50	20	DDGD	
Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNc1ncccc1[N+](=O)[O-]	759285538	MGMZKXIUSBOVLN-MRVPVSSYSA-N	318.337	1.587	50	20	DDGD	
CCn1cnc(C(=O)NNC(=O)CNc2ccc(C)cc2C)c1	856792313	ODVCZEXCTFMRJB-UHFFFAOYSA-N	315.377	1.393	50	20	DDGD	
CN(CCNC(=O)N(C)C)C[C@@H](CBr)C1CC1	859222824	NDGQNWNEQBABPI-LLVKDONJSA-N	306.248	1.611	50	20	DDGD	
CCOc1ccccc1NC(=O)NNC(=O)c1c[nH]nc1C	755406182	SLDMKHSNGKSKEC-UHFFFAOYSA-N	303.322	1.583	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)cc1)[C@@H]1CN2CCC[C@@H]2CO1	853387077	IWFMFLZCGXAUKZ-KGLIPLIRSA-N	307.781	1.653	50	20	DDGD	
O=C(Cc1ccn(-c2ccccc2)n1)NNC(=O)c1ccccc1	756902131	PLCKGRUTXOKXHI-UHFFFAOYSA-N	320.352	1.876	50	20	DDGD	
CC[C@@H](C)C(=O)NN=Cc1c(C)nn(C)c1N1CCOCC1	755651072	QNQOLQIYAJDMFU-LLVKDONJSA-N	307.398	1.061	50	20	DDGD	
CCOC(=O)N[C@H](C(=O)NNc1ncc(Cl)cn1)C(C)C	857355752	LUIZMMCIESQSCY-VIFPVBQESA-N	315.761	1.344	50	20	DDGD	
COC1(C(C)=NNC(=O)C(=O)Nc2ccc(C)cc2)CCC1	853280391	JLCVIFWFXBXUFJ-UHFFFAOYSA-N	303.362	1.995	50	20	DDGD	
C[C@H]1CCN(CC(=O)NNC(=O)c2cccc(Cl)c2)[C@H]1C	752317629	FGRLPQRTEBNDSE-QWRGUYRKSA-N	309.797	1.831	50	20	DDGD	
CN(C[C@H]1CC=CCC1)C(=O)NNC(=O)c1cccc(F)n1	852709593	YZZHORBLMWRFCQ-NSHDSACASA-N	306.341	1.863	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2cc(C(F)(F)F)ccc2F)CN1	754144316	XMPKLIQERQZCOW-ZETCQYMHSA-N	319.258	1.814	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)CCCCCN)cc(OC)c1	857766797	SYCKMDWQVAWNSF-UHFFFAOYSA-N	324.381	1.376	50	20	DDGD	
Nc1nccnc1C(=O)OC[C@H](CBr)C1CC1	859469514	TXYMJTUIZFUACZ-QMMMGPOBSA-N	300.156	1.637	50	20	DDGD	
O=C(NNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(F)n1	853051796	IZRKLRWSLOHCBY-QXEWZRGKSA-N	308.382	1.518	50	20	DDGD	
C[C@@H](C(=O)NNC(=S)NCCc1cccs1)n1cccn1	920431507	HRYPUYALVSDGHA-JTQLQIEISA-N	323.447	1.244	50	20	DDGD	
C[C@]1(CNC(=O)N2C[C@@H]3CNC[C@@H]3C2)C[C@@H]1Br	857104733	AFMADURCQYSTJK-MIZYBKAJSA-N	302.216	1.021	50	20	DDGD	
COC(=O)C[C@@H]1COCCN1C[C@H](CBr)C1CC1	859304516	DYLQZZKNMXAYRP-NWDGAFQWSA-N	320.227	1.671	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)CCCNC(=O)C(C)(C)C)cn1	853409015	HASQRXNPIQUABV-UHFFFAOYSA-N	321.425	1.857	50	20	DDGD	
O=C(NNc1ncccc1F)c1cc(O)nc2c1CCCC2	935918412	OLBLYLQSZHMMSB-UHFFFAOYSA-N	302.309	1.957	50	20	DDGD	
C[C@@]1(CNC(=O)NCCCn2cncn2)C[C@@H]1Br	856824305	FFBFTEWLHVZAAY-ONGXEEELSA-N	316.203	1.141	50	20	DDGD	
CC(C)(C)c1ccncc1CNC(=O)NNC(=O)c1cn[nH]c1	858539397	WUXVHGKCNYCETQ-UHFFFAOYSA-N	316.365	1.246	50	20	DDGD	
Cc1nc(C=NNC(=O)Cn2c(C)nc3ccccc32)[nH]c1C	853268482	FNKIDLNFRIYTII-UHFFFAOYSA-N	310.361	1.835	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(OC2COC2)cc1	931013428	RDVIOTNTFKRTCM-UHFFFAOYSA-N	317.345	1.420	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)cc[nH]1	862510808	UDAAAYMUZSWEAI-CQSZACIVSA-N	318.421	1.682	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=O)NC(C)C)cc1Cl	930994550	YLMXPFSYCDHKBK-UHFFFAOYSA-N	312.757	1.651	50	20	DDGD	
Cc1cccc(C2(C(=O)NNC(=O)Cc3cc(C)[nH]n3)CC2)c1	869012176	JCXSWANSRRGIHL-UHFFFAOYSA-N	312.373	1.448	50	20	DDGD	
CCO[C@H](CC(=O)NNC(=O)Cn1nc(C)cc1C)C(C)C	760291495	IVOBEVOOKMFCRB-CYBMUJFWSA-N	310.398	1.099	50	20	DDGD	
CCOCCC1(C(=O)NNC(=O)N2CCOCC2)CCCC1	763313804	VJXJBZZAEGZZSK-UHFFFAOYSA-N	313.398	1.046	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccc(Cl)cc2)CC1)c1cn[nH]c1	862471074	QBDCNWJQINUOFG-UHFFFAOYSA-N	318.764	1.847	50	20	DDGD	
Cc1cc(=NNC(=O)C(C)(C)c2ccc3c(c2)OCO3)cc[nH]1	862514272	WHMXOAIVNOFBIZ-UHFFFAOYSA-N	313.357	1.962	50	20	DDGD	
Cc1ccc([C@H](C)[C@@H](O)C(=O)NNC(=O)NC2CCCC2)cc1	764908246	HDIRRUCCDFCZDN-SWLSCSKDSA-N	319.405	1.732	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NC[C@H]1CC(=O)N(C2CC2)C1	867071778	LNVYWOIBGBWQCR-SNVBAGLBSA-N	322.858	1.182	50	20	DDGD	
Cn1cc(C=NNC(=O)c2cc(-c3cccs3)[nH]n2)cn1	764785913	LXHYMYOWUGTKDJ-UHFFFAOYSA-N	300.347	1.636	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccnn2C(C)C)c1O	767889033	GCOJNEHZICGPBF-UHFFFAOYSA-N	318.333	1.253	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNCC(F)(F)C(F)(F)F	863094584	WRLGMOLFTYLGGH-UHFFFAOYSA-N	321.246	1.330	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C[C@@H](C)c2ccccc2)n[nH]1	869012909	HGSCCSBRWPMUDL-LLVKDONJSA-N	300.362	1.602	50	20	DDGD	
C[C@@H](CCc1ccc(F)cc1)C(=O)NNC(=O)N1CCOCC1	865046268	HQAHSXPNMRAXEQ-LBPRGKRZSA-N	323.368	1.467	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@@H]1CCc2cncn2C1	863098736	CLKGLIBHYDQBQA-SSDOTTSWSA-N	312.242	1.264	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H](C)NC(=O)C2CCCCC2)n1	862524031	RYZHLDIUXNHAJV-LBPRGKRZSA-N	304.394	1.918	50	20	DDGD	
Cc1nnc(-c2cccc(C(=O)NNc3ncc(F)cn3)c2)o1	760911249	BXFNZVVWXCOPCK-UHFFFAOYSA-N	314.280	1.731	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](C)N1CCc2ccccc21	764469950	URLXCPHMMDOBHF-NSHDSACASA-N	313.361	1.380	50	20	DDGD	
O=C(NNC(=O)c1cccc([C@H]2CCOC2)c1)c1cccnc1	761191664	JDFWQZMPENQDRN-HNNXBMFYSA-N	311.341	1.660	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1ccc2cc[nH]c2n1	863100833	ZVKIQWNDZVSXMW-UHFFFAOYSA-N	308.210	1.995	50	20	DDGD	
CC(=NNC(=O)C1CCOCC1)c1ccc2c(c1)CCC(=O)N2	1119304114	GJNRELBCECGFMH-UHFFFAOYSA-N	315.373	1.838	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1	875371846	SMQYREDYQFQCIU-JSGCOSHPSA-N	320.393	1.562	50	20	DDGD	
CCCc1cc(O)nc(S[C@H](C)C(=O)NNC(=O)CC)n1	767032716	HMDYAAXIGYLEOU-MRVPVSSYSA-N	312.395	1.173	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)c1ccc(-c2ccco2)s1	764605450	BTVGOXUDBABZPB-UHFFFAOYSA-N	321.358	1.294	50	20	DDGD	
Cc1cc(C(=O)NNc2ccnc(N(C)C)n2)cc(Cl)n1	779380796	YWHMHFPZADOHJM-UHFFFAOYSA-N	306.757	1.656	50	20	DDGD	
CC(C)c1[nH]nc(C(=O)NNC(=O)c2ccoc2)c1[N+](=O)[O-]	771380860	LKYBOGXZIHOJIH-UHFFFAOYSA-N	307.266	1.109	50	20	DDGD	
CC(=O)NNC(=O)c1cccc(N(C)C(=O)OC(C)(C)C)c1	877961668	UESNOARDOJGJGS-UHFFFAOYSA-N	307.350	1.839	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NNc1ccc(Cl)nn1	878886264	DRYXSLPDEFKMPU-KRTXAFLBSA-N	306.757	1.662	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@H]1CCc2ccccc21	772134269	ATSHYLNUBVHICB-DGCLKSJQSA-N	318.373	1.596	50	20	DDGD	
CCCC(=O)N1CCC[C@H](C(=O)NNc2ccc(F)cn2)C1	874651820	VANXTYLKQAFLBU-NSHDSACASA-N	308.357	1.703	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@H](O)Cc1ccccc1Cl	773743841	AVMBAHXRLHXVLE-GFCCVEGCSA-N	309.728	1.921	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)CCCC(C)=O)cn1	874956672	LBNSMOLGRXYHKK-UHFFFAOYSA-N	310.379	1.167	50	20	DDGD	
COC/C(C)=C/C(=O)NNC(=S)Nc1ccccc1OC	873770292	GHOMXIUVDAIPNS-CSKARUKUSA-N	309.391	1.606	50	20	DDGD	
C[C@H](O)c1ncc(C=NNC(=O)[C@H](C)CN2CCCCC2)s1	773023799	GQYCTUPYDPQZBV-NEPJUHHUSA-N	324.450	1.769	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)CCn2cccc2)nc1C	778424527	WLNICFUMARUKJU-UHFFFAOYSA-N	317.349	1.297	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C1CC[C@@H]2C[C@H]12	872380643	APDCBOALUGUOBO-MDZLAQPJSA-N	305.378	1.805	50	20	DDGD	
Cn1cc([C@@H](O)C(=O)NNc2ccccc2C(F)(F)F)cn1	773751825	OERFTXWCIIBBRS-LLVKDONJSA-N	314.267	1.616	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C1CCN([C@@H]2CCSC2)CC1	887149273	PZDLYPRQGHCLNS-CQSZACIVSA-N	323.462	1.155	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cnc(-c2ccccc2)[nH]1	883064137	QOODCKVLXWOHNN-UHFFFAOYSA-N	314.345	1.264	50	20	DDGD	
CN(C)S(=O)(=O)CCC(=O)NNc1ccc(Cl)cc1F	885107606	KYXZBFZBOQNLJO-UHFFFAOYSA-N	323.777	1.204	50	20	DDGD	
C=C1CCC(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)CC1	885652396	UWUYVSRSSMLLKA-GFCCVEGCSA-N	310.394	1.858	50	20	DDGD	
Cc1ocnc1CNC(=O)NNC(=O)COc1ccc(F)cc1	775454877	OJFJEEREGBMDRV-UHFFFAOYSA-N	322.296	1.032	50	20	DDGD	
C=Cn1cc(C=NNC(=O)[C@H](C)CN2C[C@H](C)O[C@@H](C)C2)cn1	773027263	YLMUQCHOTZZSDM-RDBSUJKOSA-N	319.409	1.179	50	20	DDGD	
Cn1cnc(NC(=O)NC[C@]2(C)C[C@@H]2Br)cc1=O	888495593	AMQYMHIVHNTVCA-CPCISQLKSA-N	315.171	1.075	50	20	DDGD	
O=S(=O)(CCCCl)N1CCN(c2ccc(F)cn2)CC1	882041774	FLLMFGUBIGVSKL-UHFFFAOYSA-N	321.805	1.301	50	20	DDGD	
CC[C@H](C)Oc1cc(C(=O)NNC(=O)C2CCOCC2)ccn1	883067676	PYLSQLGTYLVGJN-NSHDSACASA-N	321.377	1.447	50	20	DDGD	
CC(C)(C(=O)NNc1ccnc(F)c1)n1cc([N+](=O)[O-])cn1	781363628	WMEVZXQLCWGLRH-UHFFFAOYSA-N	308.273	1.204	50	20	DDGD	
CCn1[nH]nnc1=NC(=O)NNc1ccccc1C(F)(F)F	888331979	ZNMYBVNTRQSOLT-UHFFFAOYSA-N	315.259	1.282	50	20	DDGD	
CCc1c(C(=O)NNC(=O)NC2CC2)cnn1C1CCCC1	789743871	JFUSSMJWPSQAHI-UHFFFAOYSA-N	305.382	1.667	50	20	DDGD	
COc1ccc(NNC(=O)c2c[nH]c3c(C)cccc3c2=O)nc1	782040757	HQECPQVMAXYFPI-UHFFFAOYSA-N	324.340	1.997	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1c(F)cccc1N1CCOCC1	785463179	MSSBPWCHQDCNQX-UHFFFAOYSA-N	323.368	1.273	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1cccc(OCc2ccccn2)c1	785459767	BLZJQSNXKWXJRQ-UHFFFAOYSA-N	313.357	1.882	50	20	DDGD	
O=C(CSc1nnc(S)s1)NNc1ccnc(F)c1	781362278	RWXOHKXMMAASLV-UHFFFAOYSA-N	317.396	1.596	50	20	DDGD	
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NNc1ncncc1Cl	780975642	JNIXTAOZABOTKK-JGVFFNPUSA-N	314.777	1.059	50	20	DDGD	
COCC(=NNC(=O)[C@@H](C)CN1CCOCC1)C1CCCC1	780200584	JPDWXLRYHCSDEY-ZDUSSCGKSA-N	311.426	1.264	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2cccnc2F)c1	791194504	GNWSXJNGFBGVRH-UHFFFAOYSA-N	303.293	1.369	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H](c2cccnc2)C(C)C)n1	798005945	YBYSGNJCNISERO-OAHLLOKOSA-N	312.373	1.986	50	20	DDGD	
COc1cc(OC2CC2)ccc1C(=O)NNc1cnccn1	790905547	BJXHHFVEKKFSBO-UHFFFAOYSA-N	300.318	1.783	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@@H](C)N2CCCCC2)n1	792893146	LSUOMCGXWIVXRE-CYBMUJFWSA-N	319.409	1.208	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccn(CC(F)F)n1	790065901	YJRMEHCTBONZRA-UHFFFAOYSA-N	310.308	1.819	50	20	DDGD	
C[C@@H](NC(=O)NNc1nncc(N)c1Cl)C1CCOCC1	1319763207	MEIBFOCYMOFQMV-SSDOTTSWSA-N	314.777	1.153	50	20	DDGD	
N#Cc1ccc(NCC(=O)NNc2nncc(N)c2Cl)cc1	1319218035	CEOJKRBZWXWKRH-UHFFFAOYSA-N	317.740	1.139	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2cnc3cnccn23)CC1	1319284006	JWZGVQLPYSXLAF-UHFFFAOYSA-N	314.393	1.301	50	20	DDGD	
CCN(CCS(C)(=O)=O)C[C@H](CBr)C1CC1	701842548	GYPBCXVHFJZDDZ-NSHDSACASA-N	312.273	1.774	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Nc2ncccc2C)cc1	1326126109	BZUYZBAHCDYLJX-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
Cc1onc(-c2ccncc2)c1C(=O)NNc1ncc(F)cn1	1323085443	VAZRHOZULXLKRP-UHFFFAOYSA-N	314.280	1.731	50	20	DDGD	
CCC[C@@H](NC(=O)NNC(=O)C1CCNCC1)C1CCCC1	1328727135	YSYOMNRJZKRTOD-CQSZACIVSA-N	310.442	1.675	50	20	DDGD	
COc1cccc(C[C@H](O)C(=O)NNc2cccc(F)n2)c1	1322583727	NCHGFHZOBBKDTG-LBPRGKRZSA-N	305.309	1.276	50	20	DDGD	
CC(C)(C)c1ccc(NC(=O)NNC(=O)c2cccnc2)nn1	1254736859	MWWUBGPHCYKZJH-UHFFFAOYSA-N	314.349	1.636	50	20	DDGD	
C[C@@H](NNC(=O)c1cc(-c2ccn(C)n2)on1)C(F)(F)F	1337297475	ASEOMABIINFJEX-ZCFIWIBFSA-N	303.244	1.260	50	20	DDGD	
CC(C)(C)OC(=O)CCCC(=O)NNC(=O)c1cccnc1	1261501305	WKNVQVNIRPAWLC-UHFFFAOYSA-N	307.350	1.355	50	20	DDGD	
CCN(CCO)NC(=O)c1cccc(Br)c1OC	1348747908	WNJXLRSVRCJBEO-UHFFFAOYSA-N	317.183	1.417	50	20	DDGD	
NC[C@H]1CC[C@@H](NC(=O)NNC(=O)c2ccccc2Cl)C1	1345152742	DHKSFUJEOZHKHL-VHSXEESVSA-N	310.785	1.411	50	20	DDGD	
CC1(C)C[C@@](C)(NC(=O)NNC(=O)c2ccccc2F)C(=O)O1	1352149813	OYKZWGHIUWAAFF-OAHLLOKOSA-N	323.324	1.254	50	20	DDGD	
O=C(COCc1ccncc1)NN=c1cc[nH]c2ccccc12	1351216282	KTAOUYLSVCRWFY-UHFFFAOYSA-N	308.341	1.712	50	20	DDGD	
C[C@H]1CNc2c(C(=O)NN(C)C(=O)OC(C)(C)C)cnn2C1	1528492906	LTYSBSZNPZSARI-VIFPVBQESA-N	309.370	1.456	50	20	DDGD	
Cc1cc(C(=O)N(c2nc(CC(=O)O)cs2)N(C)C)co1	1607569640	XSSOEFWASGNCRU-UHFFFAOYSA-N	309.347	1.795	50	20	DDGD	
O=C(O)[C@@H]1CCCC[C@@H]1C(=O)N1C[C@H]2[C@H](Br)[C@H]2C1	1602173100	LKJUHPZDZCMYKC-OGBGREFGSA-N	316.195	1.729	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@@H]1CCCc2nn[nH]c21	1602230049	CIYMSKVTZIRRRL-SSDOTTSWSA-N	319.296	1.205	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ccc(F)c(C(=O)O)c1F	1601553774	UPUCYRXUFUVRJH-UHFFFAOYSA-N	313.260	1.616	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2CCN2C2CCCC2)cc1F	1602385453	VZESETUNNYYRSA-CQSZACIVSA-N	321.352	1.984	50	20	DDGD	
O=C(NN=C1C[C@H]2C[C@@H](C(=O)O)[C@H]1C2)c1ccc2c(c1)OCO2	1601552036	GZQRJCVOEVONQC-FBIMIBRVSA-N	316.313	1.632	50	20	DDGD	
O=C(NN=Cc1cccc(O)c1O)c1ccc(-c2nn[nH]n2)cc1	1606849128	AYRQETKQKRDFPY-UHFFFAOYSA-N	324.300	1.042	50	20	DDGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)c1c[nH]c(C(=O)O)c1	1601559688	YARQHHPBTVSMEY-UHFFFAOYSA-N	308.225	1.517	50	20	DDGD	
COC[C@H](C)OC(=O)/C(C#N)=C/c1cccc(-c2nn[nH]n2)c1	1609317879	RKCGVLJLTDIQGQ-JLATVTFTSA-N	313.317	1.352	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2ccc(C(=O)O)cc2)n1	1607839300	DMKULCOKTUYWFD-UHFFFAOYSA-N	314.301	1.555	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1cc(O)ccc1F	1549904849	NAQQMSXJKXCEAJ-IAQYHMDHSA-N	321.352	1.235	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@H]2CCCO[C@H]2c2ccnn2C)CN1C	1549320555	OIMUYJPMBRQOLY-OSAQELSMSA-N	319.409	1.084	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@@H]1C(=O)NN=Cc1cnsc1	1549904338	IFICADXTILCKOD-AAEUAGOBSA-N	319.390	1.495	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NN=C1CCCN2CCCC[C@H]12	1552253423	HPSOERZOUPYAAG-HUUCEWRRSA-N	306.454	1.980	50	20	DDGD	
CCn1nccc1[C@@H]1OCCC[C@@H]1C=NNC(=O)[C@H]1CCOC1	1552450943	CENNZZAISONTLC-VNHYZAJKSA-N	320.393	1.509	50	20	DDGD	
CO[C@@H]1CN[C@](C)(C(=O)NNc2ccc3ccccc3n2)C1	1573960632	LHPFJYIKPXQNKL-LRDDRELGSA-N	300.362	1.445	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@H]1C[C@H]2CC[C@@H]1N2	1579310046	WVBWBLCHPMHIEY-VWYCJHECSA-N	320.418	1.153	50	20	DDGD	
Cc1ccc(NNC(=O)c2ccn(CCCN)n2)cc1Cl	1579724068	PEOPHDQMYLTMNC-UHFFFAOYSA-N	307.785	1.951	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CC[C@@H]1COC(C)(C)N1	1575871457	OAVRBRMWFCQXKR-LLVKDONJSA-N	307.398	1.548	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)C1(C(=O)O)CCCCC1)C1CC1	1589120823	AIQFTRYKGBJXJB-SECBINFHSA-N	313.423	1.315	50	20	DDGD	
CC(C)/C=C/C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1	1841354229	OWGXEJPNHGNAIL-ZYOFXKKJSA-N	314.813	1.002	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2c[nH]nc2C)C1	1844775095	AAVYKFJUTKGYKY-LBPRGKRZSA-N	324.812	1.553	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[C@H](F)C1	1593162177	LEKXBZTZRXSZRX-MNOVXSKESA-N	304.329	1.838	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NN[C@@H](C(=O)O)c2cccc(Cl)c2)O1	1599906598	FMZLSIOMCJGBTF-KPXOXKRLSA-N	312.753	1.654	50	20	DDGD	
CCC1(N)CCN(C(=O)NNc2ccc(C(=O)O)cc2F)CC1	1595385615	NPRIFRWQSMODPQ-UHFFFAOYSA-N	324.356	1.764	50	20	DDGD	
O=C(/C=C\[C@H]1CCCO1)NNc1ccc(-c2nn[nH]n2)cc1	1592796410	UVLUSWONJRSJMK-QDZRJHCZSA-N	300.322	1.045	50	20	DDGD	
Cc1nnc(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)s1	1592446743	JDHIXGOLVOAKKF-UHFFFAOYSA-N	317.338	1.175	50	20	DDGD	
Cc1c(C(=O)NNc2ccccc2C(=O)O)cnn1CCC#N	1599981765	CLAKSUXITPGXEY-UHFFFAOYSA-N	313.317	1.560	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCCC(=O)O)c(OC)c1	1598984623	UMGPOVUOPKJQIK-UHFFFAOYSA-N	310.306	1.180	50	20	DDGD	
CC(C)n1ccc(CC(=O)NNc2ccc(CC(=O)O)cc2)n1	1592133495	WDKCUHGTWJFOMH-UHFFFAOYSA-N	316.361	1.777	50	20	DDGD	
O=C(COc1ccc(-c2nn[nH]n2)cc1)NN=CCCC1CC1	1592890833	PZSKFPPFKQQPCF-UHFFFAOYSA-N	314.349	1.538	50	20	DDGD	
COc1ccc(CNC[C@@H]2[C@@H](C)[C@H]2Cl)cc1-c1nn[nH]n1	1591598505	VPLXNIUEXHCMKU-XTWCZFFVSA-N	307.785	1.838	50	20	DDGD	
CC[C@H](C(=O)O)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	1594755531	LKGNIBGOZUAWAH-VIFPVBQESA-N	324.724	1.944	50	20	DDGD	
N#C/C(=C\c1cccn2c(C(=O)O)cnc12)C(=O)N1CCCC1	1776122568	DAYFRNAVVGPFBB-XYOKQWHBSA-N	310.313	1.562	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)O)CCC1=NNC(=O)[C@H]1CCN1C(C)(C)C	1776098259	DNOBPCDNCNLLOL-NTZNESFSSA-N	309.410	1.852	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1	15980555	AFIYTOZPVFXHIU-UHFFFAOYSA-N	309.325	1.707	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cc(C)ccc2O)cc1	17111366	VJCJZWXCWAUNBU-UHFFFAOYSA-N	314.341	1.849	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNC(=O)c1cccc2ccccc12	150841580	KCVJLDLACUUTRO-LLVKDONJSA-N	314.341	1.800	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cc(=O)[nH]c2cc(F)ccc12	158452874	QLVMLJZTQFLCSH-UHFFFAOYSA-N	321.308	1.837	50	20	DDGD	
COC(=O)NNC(=O)c1cn(-c2cccc(Cl)c2F)nn1	158929985	QJSDULCAACGHHM-UHFFFAOYSA-N	313.676	1.061	50	20	DDGD	
CN(C)[C@@H](CNS(=O)(=O)CCCCCl)c1ccco1	163445560	DFLMWZQDJQVGCL-NSHDSACASA-N	308.831	1.821	50	20	DDGD	
COc1cc(C(=O)NNC(=O)Cc2cccnc2)ccc1F	152474196	SVBROGKFCCUVTG-UHFFFAOYSA-N	303.293	1.233	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(C(N)=O)nn1)c1c(F)cccc1F	153752324	VHKKSGJYCZNECQ-ZETCQYMHSA-N	321.287	1.101	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@H]2c2sccc2C)[nH]n1	154056912	WBPWGIMFJQFGCM-NXEZZACHSA-N	304.375	1.653	50	20	DDGD	
CCCCCS(=O)(=O)CC(=O)NNc1ccc(C#N)cc1	155375448	HZCOGPZKPQYLBL-UHFFFAOYSA-N	309.391	1.606	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)Cc2ccccc2F)no1	156794790	YQTPDIZPJSRZIE-UHFFFAOYSA-N	305.309	1.941	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1nn2cnnc2s1	748062189	KQDQKZKHPPYYQJ-WEVVVXLNSA-N	314.305	1.871	50	20	DDGD	
N#C[C@H]1CN(S(=O)(=O)c2ccc(CCCl)cc2)CCO1	113199185	AOJOEVOHYYWBOW-LBPRGKRZSA-N	314.794	1.381	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)CBr)C[C@@H]1Br	856755269	TWQPZNXKCPQLBR-WDSKDSINSA-N	321.034	1.432	50	20	DDGD	
CC(=O)NNC(=S)NCCSc1ccc(Cl)cc1	7926304	LHIMFSZCCILNQM-UHFFFAOYSA-N	303.840	1.947	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNC(=O)Cc1ccc(Cl)cc1	104137475	BAOFUPAUMPTPBF-CQSZACIVSA-N	323.824	1.904	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=S)NC(C)(C)C)cc1	8302063	QFHNRVXVKOBKEZ-UHFFFAOYSA-N	309.391	1.381	50	20	DDGD	
COc1ccccc1CCC(=O)NNC(=S)N[C@H](C)C1CC1	175547693	IFDTYAJSEPMEGW-LLVKDONJSA-N	321.446	1.922	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccccn1)C(=O)N1CCCC[C@H]1C	102455804	XDTPKHYIJXMXST-VXGBXAGGSA-N	305.382	1.497	50	20	DDGD	
CCOc1cc(/C=C/C(=O)NNc2ncccn2)ccc1O	179415560	DHAPWWPSLCTSBC-FNORWQNLSA-N	300.318	1.737	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-]	55617320	GAYZHQWCFBLHBN-QMMMGPOBSA-N	315.351	1.259	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1F	119178608	QORVLOSHWCNGMH-UHFFFAOYSA-N	318.264	1.816	50	20	DDGD	
C[C@H](Sc1ccc(Cl)cc1)C(=O)NNC(=O)CN(C)C	113425685	VQOASALQBILGCP-VIFPVBQESA-N	315.826	1.530	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C1CCN(c2cnccn2)CC1	68011504	CIQODTQVIAOILA-UHFFFAOYSA-N	321.381	1.249	50	20	DDGD	
O=C(CCCNC(=O)C1CC1)NNc1cccc([N+](=O)[O-])c1	178840046	TYMAQAQLXFFBBQ-UHFFFAOYSA-N	306.322	1.344	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H](C)Cc2c(C)nn(C)c2C)n1	173023955	FGXPFHUXJWDVNQ-VIFPVBQESA-N	316.409	1.766	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cc(-c3ccccc3)no2)cn1	117679990	BIXICSOJWMNYSX-UHFFFAOYSA-N	311.301	1.150	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCCn1ccnc1	118757320	YIQGGGOLNQTYCP-UHFFFAOYSA-N	309.801	1.755	50	20	DDGD	
COCCC(=O)N/N=c1\nc(-c2ccccn2)[nH]c(C)c1C	114891934	UOCRAUZDSSLYLK-UHFFFAOYSA-N	301.350	1.057	50	20	DDGD	
CCOc1ccc(/C=C/C(=O)NNC(=O)NC2CC2)cc1OC	64428625	NDQUEIMJIFMLGW-WEVVVXLNSA-N	319.361	1.600	50	20	DDGD	
C[C@H](Sc1nnnn1C1CC1)C(=O)NNc1ccnc(F)c1	182447732	GEAYEYURZHLHFW-ZETCQYMHSA-N	323.357	1.166	50	20	DDGD	
Cc1ccc(C#N)cc1NC(=O)NNC(=O)Cc1ccncc1	184655612	JZRLZSGHRKKJDI-UHFFFAOYSA-N	309.329	1.657	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1cccc(-n2ccnn2)c1	183263698	MIJYBWIZRDIOCU-UHFFFAOYSA-N	323.316	1.129	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNC(=O)C(C)(C)C)c1ccsc1	79267223	SIHVVGWVLSDSCL-LLVKDONJSA-N	312.439	1.727	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2CCN(c3ccccn3)C2)nn1	128553561	OOPSOJMDYHNCQY-GFCCVEGCSA-N	313.365	1.085	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C1=Cc2cc(F)ccc2OC1	123702767	MJLTZZZKDZVPPE-UHFFFAOYSA-N	323.393	1.895	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2cccn2C)ccc1F	187115180	NMSHGCHKFCXCLH-UHFFFAOYSA-N	306.297	1.639	50	20	DDGD	
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NN(C)C(N)=O	181060684	VJOFZMBDNJNGRO-UHFFFAOYSA-N	307.741	1.489	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCCC(=O)OC)cc1	32990455	NJGOMOWROIYWJJ-JLHYYAGUSA-N	302.330	1.672	50	20	DDGD	
C=CCOc1cccc(NC(=O)NNC(=O)c2cc(C)n[nH]2)c1	184589240	OBUISVMEHRKWKA-UHFFFAOYSA-N	315.333	1.749	50	20	DDGD	
CCn1cc(NC(=O)NNc2cccc(S(C)(=O)=O)c2)cn1	183092102	WQCZPQFTCRIDKS-UHFFFAOYSA-N	323.378	1.455	50	20	DDGD	
Cc1nc(CNC(=O)NNC(=O)OC(C)(C)C)sc1C	74919231	KZKIYHVCOJIIEJ-UHFFFAOYSA-N	300.384	1.999	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1OCC(=O)NNc1cc(Cl)nc(N)n1	133988653	JPMBMAWMOZEZQW-BDAKNGLRSA-N	313.789	1.751	50	20	DDGD	
CN(C)C(=O)NNS(=O)(=O)c1ccc(Cl)c(Cl)c1	194856915	RHJZRVCVILRDRY-UHFFFAOYSA-N	312.178	1.458	50	20	DDGD	
CC[C@@H](C)CN(C)CC(=O)NNC(=O)Cc1ccccc1C	137328990	LRBRBHMIMBWRLD-CYBMUJFWSA-N	305.422	1.663	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(F)cc2[N+](=O)[O-])o1	134317988	KIRMNCAKSIHTQH-UHFFFAOYSA-N	307.237	1.710	50	20	DDGD	
COc1nccnc1NNC(=O)c1csc(-c2ccoc2)n1	131855811	IJESMIDYQFKCDX-UHFFFAOYSA-N	317.330	1.959	50	20	DDGD	
CC(=O)Nc1nc(C(=O)NNc2cccnc2Cl)cs1	85681295	FDQVHRKUBLFPOB-UHFFFAOYSA-N	311.754	1.907	50	20	DDGD	
Cc1nc(NC(=O)NNC(=O)c2ccccc2O)sc1C	146469807	UNGZSMYBUCRAFG-UHFFFAOYSA-N	306.347	1.932	50	20	DDGD	
CC[C@@H]1CCC[C@H](NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)C1	247025147	JLWASNSWVAKJCR-DYEKYZERSA-N	317.455	1.336	50	20	DDGD	
C[C@H]1CCCN(C[C@H](C)NC(=O)NNC(=O)c2ccc[nH]2)C1	249752060	BIQRNZBRMZQDGP-RYUDHWBXSA-N	307.398	1.079	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCCN2CCCC2)cc(C#N)n1C	255800888	YOPANTIQVNBFAB-DHDCSXOGSA-N	311.389	1.324	50	20	DDGD	
O=C(/C=C\c1cccnc1)NNC(=O)Cc1cn2ccccc2n1	254953875	IMPZQGRJRYLYDL-SREVYHEPSA-N	321.340	1.133	50	20	DDGD	
CCC[C@@H]1C[C@H]1NC(=O)NNC(=O)COc1ccc(OC)cc1	268068619	VSUPIFHREAGEOV-BXUZGUMPSA-N	321.377	1.593	50	20	DDGD	
CC(C)(C)Oc1ccc(C(=O)NNC(=O)N2CCOCC2)cc1	267505989	WOSRGSFKXDTLKF-UHFFFAOYSA-N	321.377	1.551	50	20	DDGD	
CC(C)[C@@H](C)CC(=O)NNC(=O)CNC(=O)c1cccs1	263884055	GJCBGXUQDIRKKB-JTQLQIEISA-N	311.407	1.308	50	20	DDGD	
CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NNc1cccnn1	265497627	BEVMBOBABYFGRK-JTQLQIEISA-N	323.422	1.257	50	20	DDGD	
COC(=O)N[C@@H](CC(C)C)C(=O)NNc1ccc(OC)cc1	264119275	KPUOPTIZSSVLRR-ZDUSSCGKSA-N	309.366	1.909	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1nc(CCC(=O)OC)cs1	269055476	XEFOWXUDAZOYRO-VQHVLOKHSA-N	309.347	1.631	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)/C=C/c1nnc(C(C)C)o1	269300431	UBOKVNYHEVMPFQ-CMDGGOBGSA-N	314.345	1.976	50	20	DDGD	
CN1CCCc2ccc(S(=O)(=O)N3CC=C(C#N)CC3)cc21	368431398	DGGUJBIXYZFWBO-UHFFFAOYSA-N	317.414	1.913	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(OCCC(N)=O)cc1	273598270	RHUZRNHRTFPWQV-SNVBAGLBSA-N	322.365	1.140	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)NCC2CCCC2)c1	271895797	PHMNSQRNZNFDPT-UHFFFAOYSA-N	311.407	1.906	50	20	DDGD	
CO[C@H]1CCC[C@H](CC(=O)NNC(=O)c2cccc(C)n2)C1	279795767	LCDPUBGDZBLWTJ-STQMWFEESA-N	305.378	1.746	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	272891651	ZLLBOJMTWZUPPG-UHFFFAOYSA-N	320.370	1.692	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@](C)(O)[C@H](C)c2ccccc2)[nH]n1	270602226	DXWRCTKIJPALPJ-BDJLRTHQSA-N	316.361	1.034	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cccnc1OCC(F)F	270485288	QEQSLYZDIXDIDN-UHFFFAOYSA-N	301.293	1.533	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1cnc2c(c1)COCC2	363865185	GGEBPEHEHCLLFW-UHFFFAOYSA-N	313.317	1.016	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCC(=O)C[C@H]2C)c1	272790379	HJEQNEVUDIFLTQ-YGRLFVJLSA-N	304.346	1.922	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NNC(=O)c1ccccn1	272994352	NLHKTXWRXKZWRM-SECBINFHSA-N	314.183	1.652	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N(C)c2ccn(C)n2)cc(C#N)n1C	274818618	SAYWXEVMNZNWPB-QPEQYQDCSA-N	308.345	1.509	50	20	DDGD	
COc1ccc(NNC(=O)Cn2ccc(C(F)(F)F)n2)nc1	275664401	VNZZEVFZNQSPJS-UHFFFAOYSA-N	315.255	1.449	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ccc(-n2cccn2)nc1	272804505	IDAGSHUHPFSKJL-UHFFFAOYSA-N	300.322	1.220	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(C(=O)OC)c(F)c1	273384497	CMGPLHXJXVWIQS-QMMMGPOBSA-N	311.313	1.811	50	20	DDGD	
COCCN(C)NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1	288569552	QSXHGBILTCXGRQ-LLVKDONJSA-N	307.177	1.636	50	20	DDGD	
O=C(NNC(=O)c1cnc2n1CCCC2)c1cccc(Cl)c1	372156091	NEXIUKOGTKFOON-UHFFFAOYSA-N	318.764	1.948	50	20	DDGD	
Cc1nc(CCN(C)C(=O)NNC(=O)c2ccc(C)s2)no1	287065158	XGQQSYBUQPWXRB-UHFFFAOYSA-N	323.378	1.277	50	20	DDGD	
O=S(=O)(CCCCCl)N(CCCO)Cc1ccccn1	281027064	QCYVCJDUPDBEEP-UHFFFAOYSA-N	320.842	1.615	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc3c(c2)N(C)CCO3)o1	376838366	GKGIKSZFYKKKLH-UHFFFAOYSA-N	315.329	1.491	50	20	DDGD	
COC(=O)N(C)NC(=O)C[C@@H]1c2ccccc2CCN1C(C)=O	375978776	DFRWQNDUXJEQEV-CQSZACIVSA-N	319.361	1.252	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CCc2ccncc2)cc1	802063327	YWZSLXUIHBVXMR-UHFFFAOYSA-N	314.345	1.876	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@H](OC)C2CC2)cc1	296744392	DQTZIUZFGICAOH-AWEZNQCLSA-N	305.378	1.618	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)c1ccccc1	293821412	FLEPGQHBMUNZOJ-RBOXIYTFSA-N	306.362	1.263	50	20	DDGD	
Cc1cc(C)c(CC(=O)NNC(=O)[C@@H]2CCCCO2)c(C)c1	295573666	NSPOMOAWYIBDPE-HNNXBMFYSA-N	304.390	1.871	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H](O)c1ccccn1	805383616	JCHSWJAEAISQTR-CYBMUJFWSA-N	302.290	1.475	50	20	DDGD	
CCOc1cc(Cl)ccc1C(=O)NNC(=O)[C@@H]1CCCO1	294133760	UGPYWBAXQJMWOY-NSHDSACASA-N	312.753	1.679	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C	804126298	GXWHOKJSBBKHMA-SECBINFHSA-N	315.370	1.361	50	20	DDGD	
CC1CCN(c2ccc(C(=O)NNC(=O)CC3CC3)cn2)CC1	294022220	CHICKYLSLYWEAE-UHFFFAOYSA-N	316.405	1.879	50	20	DDGD	
CC(C)(C)OC(=O)NC1(C(=O)NNC(=O)c2ccc[nH]2)CCC1	294510634	SNJJGKNJQLUPGS-UHFFFAOYSA-N	322.365	1.223	50	20	DDGD	
Cc1noc2nc(C(C)C)cc(C(=O)NNc3nnc[nH]3)c12	294043607	WLIOZDNKPJRGMN-UHFFFAOYSA-N	301.310	1.530	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(F)c(Cl)cc1F	295585961	OSAKOOYNITZHOM-LLVKDONJSA-N	318.707	1.948	50	20	DDGD	
CN(CCNC(=O)NNc1ncc(F)cc1F)C1CCCC1	297805075	WIGRNYPXSBDINK-UHFFFAOYSA-N	313.352	1.860	50	20	DDGD	
CS(=O)(=O)c1cc(C(=O)NCC(Cl)Cl)cs1	294442365	PNXWNCVUUMBEPY-UHFFFAOYSA-N	302.204	1.685	50	20	DDGD	
O=C(NNC(=O)c1cncc(C(F)(F)F)c1)c1cccnc1	808378111	YIEPXXXWWKWOOE-UHFFFAOYSA-N	310.235	1.570	50	20	DDGD	
COc1cccc(-c2n[nH]cc2C=NNC(=O)c2c[nH]nc2C)c1	814852459	ZSDPWLXPNBLAND-UHFFFAOYSA-N	324.344	1.881	50	20	DDGD	
O=C(NNc1ncccc1F)c1cc(Cn2cccn2)on1	816641350	OXUPBXIJTFFYEA-UHFFFAOYSA-N	302.269	1.210	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1O	812478211	PTEFUFDIHSGLPP-RKDXNWHRSA-N	314.769	1.725	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1ccc(C(C)(C)O)cc1	814954917	OXWHAZPDUKHUOC-UHFFFAOYSA-N	300.362	1.720	50	20	DDGD	
CC(=NNC(=O)c1ccnnc1)c1ccc2c(c1)OCCCO2	817343654	VZXXYBBEKVWSRN-UHFFFAOYSA-N	312.329	1.792	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)Nc2cc(F)cc(F)c2)cnn1C	816595524	QRILTJHQDGUIKG-UHFFFAOYSA-N	323.303	1.402	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1cnc2ccccn12	814951085	MNRKVCRPKQMIBG-UHFFFAOYSA-N	310.313	1.569	50	20	DDGD	
C=C(CBr)CN1CCC[C@@H](CS(C)(=O)=O)C1	814641126	DRFUHYKTRADKGD-LLVKDONJSA-N	310.257	1.694	50	20	DDGD	
Cc1nn(C)c(N)c1C=NNC(=O)c1cc2ccccc2cc1O	814694691	VBRPREZMUOXOTK-UHFFFAOYSA-N	323.356	1.933	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)NNc1cnccn1	816173337	BBAQVTWHLKFTIB-IAZYJMLFSA-N	319.365	1.033	50	20	DDGD	
C=C(C)C(C)(C)C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1	819816681	NDSZCALQGAIEMN-BETUJISGSA-N	311.426	1.235	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@H]1COCCO1	816486447	DZAVERQSRIKISA-MRVPVSSYSA-N	300.746	1.112	50	20	DDGD	
CC(=NNC(=O)c1ccc(C#N)cc1)C1=S=CC(C(=O)O)=C1	814823843	YLSGLKYKYGRDEA-UHFFFAOYSA-N	313.338	1.396	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@@H]1CCc2nnnn2CC1	817807495	AWCACZYERGXPPB-SNVBAGLBSA-N	319.344	1.152	50	20	DDGD	
COc1ccc(CNC(=O)NNc2ncccc2F)c(OC)n1	811971205	ZQLUKIBWILPTKO-UHFFFAOYSA-N	321.312	1.459	50	20	DDGD	
CN(C)C[C@H](CO)NC(=O)CCCC[C@@H]1CCSS1	816617923	LLDXUPDJYWCQBH-VXGBXAGGSA-N	306.497	1.739	50	20	DDGD	
C[C@@H]1CN(CCC(=O)NNC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)C[C@@H](C)O1	823812876	QPWLUPRFTLYYRX-ZSAUSMIDSA-N	323.437	1.069	50	20	DDGD	
O=C(CC1(O)CCCCC1)NNc1ccc(-c2nn[nH]n2)cc1	826403853	GCOXOYKSQKGRDJ-UHFFFAOYSA-N	316.365	1.395	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(-c2ccc(Cl)cc2)on1	823841162	DSEZPWDZKIYGFS-UHFFFAOYSA-N	309.753	1.954	50	20	DDGD	
Cc1cccc(C[C@@H](CO)NC(=O)/C(C#N)=C/c2cnn(C)c2)c1	491177156	UTCUATNGMPBSDX-BNSMALCHSA-N	324.384	1.355	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CSC[C@@H]2C)cc(C#N)n1C	490942483	OKDCQPKTQVTGOJ-PYOZBJFJSA-N	314.414	1.980	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NNc2ncccc2F)C1	496464498	YTSIQHLZKQOVBU-AOOOYVTPSA-N	324.356	1.967	50	20	DDGD	
CCS(=O)(=O)Nc1ccc(C(C)=NNC(=O)N(C)C)cc1	729638832	HPQXAUODDSMZCJ-UHFFFAOYSA-N	312.395	1.443	50	20	DDGD	
O=C(NCC1=CCCC1)NNC(=O)c1cccc([N+](=O)[O-])c1	823098775	OVZFVIZQSDRETD-UHFFFAOYSA-N	304.306	1.649	50	20	DDGD	
CCC[C@@](C)(NC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)OC	491052706	WNCOMTKAUWNMMJ-CUXKMMBLSA-N	304.350	1.175	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCc2ncccc2F)cc(C#N)n1C	491133775	QCLSXJJHXHIQDY-AWNIVKPZSA-N	323.331	1.963	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(C)c(NC(=O)NC(C)(C)C)c1	495407534	KZIJSFTXWBXXPY-UHFFFAOYSA-N	322.365	1.916	50	20	DDGD	
CC[C@@H]1CCCN1CC(=O)NNC(=O)Cc1nc(C)cs1	727833599	WBQYVMPJNUPOJE-LLVKDONJSA-N	310.423	1.016	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1coc2c1C(=O)CCC2	825503640	CYJUSRDFQDFFFP-UHFFFAOYSA-N	304.224	1.512	50	20	DDGD	
CCOC(=O)CN(CC(C)C)C(=O)/C(C#N)=C\c1cnn(C)c1	491005929	CPWMTCQIMKPJLC-NSIKDUERSA-N	318.377	1.375	50	20	DDGD	
CCCCOc1cc(CN2CC[C@@H](B(O)O)C2)ccc1OC	585077991	ZQBWFEWQMZWXCP-CQSZACIVSA-N	307.199	1.923	50	20	DDGD	
CC1(C)C[C@H](Cc2nc(-c3ccc(B(O)O)cc3)no2)CCO1	585053847	IEDWFYYCFMMGSN-NSHDSACASA-N	316.166	1.164	50	20	DDGD	
CCC(CC)(CC(=O)OC)NC(=O)/C(C#N)=C\c1cnn(C)c1	491162712	TYMOOOJVDZZLTR-QPEQYQDCSA-N	318.377	1.565	50	20	DDGD	
COCCn1ncc2ccc(NC(=O)NN(C)C3CC3)cc21	824145842	YJFYLDBGWDUYAA-UHFFFAOYSA-N	303.366	1.813	50	20	DDGD	
Cc1ccc([C@H](NC(=O)c2cccc(B(O)O)c2)C2CC2)cc1	584927896	GSVDHFXQAHGEBR-KRWDZBQOSA-N	309.174	1.556	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC[C@@H]1Cc1ccc(F)cc1	827472908	LSRQIFPRGQYUQA-OAHLLOKOSA-N	321.396	1.636	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNc3cc(C)ncn3)(CC1)CC2	825855676	ZBXNJWRLGZFSEJ-UHFFFAOYSA-N	318.377	1.742	50	20	DDGD	
CCC(CC)[C@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1	584948537	HQIPXVHZFRHEGI-ZDUSSCGKSA-N	307.174	1.404	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)CCCCc1ccccc1	900007594	OKJNBLILAKADOP-UHFFFAOYSA-N	305.378	1.071	50	20	DDGD	
C[C@H]1CSCC1=NNC(=O)NCCNC(=O)OC(C)(C)C	495678349	YDGILUKCNBHWCI-VIFPVBQESA-N	316.427	1.549	50	20	DDGD	
CC(C)[C@H](CO)[C@@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(C)C	490974249	MWSAUYZIKAVPLA-FQJVJMQJSA-N	318.421	1.732	50	20	DDGD	
CCc1nc(CCNCc2ccc(B(O)O)cc2)sc1C	585019503	BQYVZRQMDZUIFB-UHFFFAOYSA-N	304.224	1.026	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Cn1cc(C)cn1)c1ccccc1	731996776	DXOYTONXJSBRIZ-CQSZACIVSA-N	300.362	1.533	50	20	DDGD	
C[C@@H]1COc2ccccc2[C@H]1NCc1ccc(B(O)O)cc1F	585034250	GVBFHLVREXXFIP-DIFFPNOSSA-N	315.153	1.365	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)cc1	905119352	XKOBZIBUPQAPTO-BPLDGKMQSA-N	314.385	1.970	50	20	DDGD	
Cc1cccc(C)c1OCCCNCc1ccc(B(O)O)o1	585018893	WCJZESRCNNVFQF-UHFFFAOYSA-N	303.167	1.135	50	20	DDGD	
CCC(=O)NN[C@H](C(=O)OC)c1cccc(C(F)(F)F)c1	905746822	FIKNUJWYAXVAPK-NSHDSACASA-N	304.268	1.950	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1cnn2ccccc12	732282140	KQAMUIDGBNTRAG-UHFFFAOYSA-N	321.300	1.536	50	20	DDGD	
OB(O)c1ccc(CNc2cccc3c2COCC3)c(F)c1	585049610	ICMUEMMTIJIJIZ-UHFFFAOYSA-N	301.126	1.190	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC[C@](C)(c2ccccc2)C1	733313645	ZFVZCPQRLWGSPF-KSSFIOAISA-N	317.433	1.986	50	20	DDGD	
C[C@@H](OC1CCCCCC1)C(=O)NNC(=O)[C@@H]1CCCCO1	833247330	ZSDUFCLXXUYVAZ-OCCSQVGLSA-N	312.410	1.831	50	20	DDGD	
CCOCC(=O)NN=Cc1ccc(OC(=O)C2CC2)c(OC)c1	731154636	WACHHFSTEDXMGC-UHFFFAOYSA-N	320.345	1.497	50	20	DDGD	
CC(=O)NC1(C(=O)NNc2cccc(C(=O)O)c2)CCCCC1	833396044	NTRBHISHOPYGHQ-UHFFFAOYSA-N	319.361	1.667	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)CCC(C)(F)F)C[C@@H](C)O1	732259213	AJOJFAMZPHXNAK-PHIMTYICSA-N	321.368	1.069	50	20	DDGD	
CCC[C@@H](NCc1ccc(B(O)O)cc1)[C@@H](O)c1ccccc1	585038937	MYBSRYCTFUGDAB-MSOLQXFVSA-N	313.206	1.358	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1	832977286	HHPIUFBHASWPBD-ZIAGYGMSSA-N	318.373	1.576	50	20	DDGD	
C[C@H]1[C@@H](c2ccccc2)C[C@H]1NC(=O)c1cccc(B(O)O)c1	584959704	KLBINAOVRJFQLJ-AFAVFJNCSA-N	309.174	1.288	50	20	DDGD	
CC(=NNC(=O)c1cnsn1)c1ccnn1CC1CCC1	901276649	SOHBCDTZGRNKEK-UHFFFAOYSA-N	304.379	1.689	50	20	DDGD	
O=C(/C=C/c1ccc(Oc2cccnc2)c(F)c1)NCB(O)O	585061554	VKQBSESGGZANEH-GQCTYLIASA-N	316.097	1.154	50	20	DDGD	
O=C(NCC1(C2CCC2)CCC1)c1ccc(B(O)O)c(F)c1	584999930	NXMNPDLTPLSPFG-UHFFFAOYSA-N	305.158	1.206	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)cc1	737711936	NJEPLHHNAIJWOI-UHFFFAOYSA-N	317.312	1.502	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@]1(C)CC=CCC1	838186085	ZDZDIAKAHDKHTB-LRDDRELGSA-N	310.394	1.858	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NC[C@H]1CC1(C)C	732893381	NDIJVFNRYNLVNG-WDEREUQCSA-N	323.368	1.970	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1cc(F)c(F)cc1F	836382121	ZJSKNQATMSRFFM-LLVKDONJSA-N	317.267	1.826	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NNC(=O)[C@H]1CCCCO1	833242718	NGBVEISUHTWRSU-MGPQQGTHSA-N	312.410	1.688	50	20	DDGD	
CC[C@](C)(C=NNC(=O)COc1ccccc1[N+](=O)[O-])OC	834927825	PMJUMKSHVBRKKH-CQSZACIVSA-N	309.322	1.891	50	20	DDGD	
COc1ccc(COCCC(=O)NNc2cc(C)ncn2)cc1	736680339	GXJUFCAOZXNXFL-UHFFFAOYSA-N	316.361	1.844	50	20	DDGD	
C[C@@H](Cc1cccc(O)c1)NC(=O)NNC(=O)c1ccc[nH]1	919783059	CXUKOMNPRBXFQB-JTQLQIEISA-N	302.334	1.296	50	20	DDGD	
C[C@@H](c1ccccc1)N1CC[C@@H](NCc2ccccc2B(O)O)C1	585022788	ZQEWELNXUHFDAI-MAUKXSAKSA-N	324.233	1.292	50	20	DDGD	
COC(=O)[C@H]1c2ccccc2CCN1S(=O)(=O)CCl	830754928	QKLNOQHYDJKZRB-LLVKDONJSA-N	303.767	1.285	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1	910167036	BYJHSGUCPKFWEL-ZBFHGGJFSA-N	305.422	1.242	50	20	DDGD	
Cc1cc(O)nc(CNC(=O)[C@@]2(C)C[C@H]2Br)n1	911863148	JUGJRJKCBONXDX-HQJQHLMTSA-N	300.156	1.280	50	20	DDGD	
O=C(C[C@H]1CCC(=O)N1)NNc1cccc(Br)c1	830766394	GEENCOCSEIXIKI-SECBINFHSA-N	312.167	1.561	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@H](C(=O)O)C1)c1ccccc1F	833149080	DFQXFTIOVGILHN-UWVGGRQHSA-N	308.309	1.478	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNc1cccc(Br)n1	837212616	LUSNXCOKCHYYCS-NSHDSACASA-N	300.156	1.614	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C#CC(C)(C)C	837311331	OOQARGUQKOEKTC-UHFFFAOYSA-N	304.346	1.271	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)COc1cccc(C#N)c1	916146340	BJJBRLDNHOHLJW-UHFFFAOYSA-N	309.325	1.707	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H]2CCCc3nn[nH]c32)c1	830842443	CXLODJGJPLVSTG-NSHDSACASA-N	305.313	1.516	50	20	DDGD	
COc1ccc(OC)c(CNC(=O)NNC(=O)c2ccc[nH]2)c1	916261603	PYWGPWDDFHKVEP-UHFFFAOYSA-N	318.333	1.176	50	20	DDGD	
CC1(C)CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)CC1	744396817	RKJSJBNDHULONW-UHFFFAOYSA-N	314.389	1.441	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)NCc1ccon1	747512021	QWDFIJGBUKQEIE-UHFFFAOYSA-N	324.340	1.901	50	20	DDGD	
CC[C@H](C)Oc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)ccn1	843660014	JKYLDPOSZQJUNF-GMXVVIOVSA-N	321.377	1.445	50	20	DDGD	
C[C@H]1c2c(F)cccc2CCN1CC(=O)NNC(=O)C(C)(C)C	744404171	JCVZQVULCBUJFT-NSHDSACASA-N	321.396	1.938	50	20	DDGD	
O=S(=O)(NC/C=C\CO)c1ccc(CCCCl)cc1	849426857	BQFSKUSZQDNUCJ-UPHRSURJSA-N	303.811	1.685	50	20	DDGD	
C[C@@H](NS(C)(=O)=O)C(=O)NN=C[C@@]1(C)C[C@@H]1c1ccccc1	841625057	YFUJXMSJKDEQLG-UXIGCNINSA-N	323.418	1.220	50	20	DDGD	
COc1ccc2ccccc2c1C=NNC(=O)C(=O)NC1CC1	744824007	MNBVYRREHLOVNH-UHFFFAOYSA-N	311.341	1.577	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	749758637	OXSOCVLSRFEXPK-LLVKDONJSA-N	322.434	1.536	50	20	DDGD	
COCC[C@@H](C)NC(=O)NNc1ccc(CC(=O)OC)cc1	844942207	XWWWIVAXFWMMPS-LLVKDONJSA-N	309.366	1.453	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CCc2nccs2)cc1	846372332	RUGWIVDUEUKZFC-UHFFFAOYSA-N	319.386	1.935	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H]2CCc3ncncc3C2)n1	843909445	HGVLTEMDXXURGR-SECBINFHSA-N	318.768	1.477	50	20	DDGD	
Cn1c(=NNC(=O)N[C@H]2CCSC2)sc2ccccc21	743691725	SGBCEIPQMYJNKJ-VIFPVBQESA-N	308.432	1.860	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(Cl)c(Cl)[nH]1	843973849	MCVXYEGXVVWHGV-NTSWFWBYSA-N	306.149	1.508	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)NOCC1CC1	847376867	KRPAMUKIYJSWMX-UHFFFAOYSA-N	302.132	1.207	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1SCCc2ccccc21	843652194	IPFKZHGOIYDMHL-JKOKRWQUSA-N	320.414	1.589	50	20	DDGD	
NC[C@H](NC(=O)NNc1ccccc1OC(F)(F)F)C1CC1	841949031	YMBIEYMPSQGVJF-JTQLQIEISA-N	318.299	1.949	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)SCc1nc2ccccc2[nH]1	840211292	NIUCIMOZRIYVAH-SECBINFHSA-N	306.391	1.742	50	20	DDGD	
CC[C@H]1CCCN(CC(=O)NNC(=O)c2cccc(C)c2)C1	744387132	LGFFYCIOHGMZPE-AWEZNQCLSA-N	303.406	1.878	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2ccc([N+](=O)[O-])o2)c(OC)c1	916662650	AYBQWSJBRGFVBK-UHFFFAOYSA-N	319.273	1.969	50	20	DDGD	
C[C@H](C#N)C(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1	748522779	GIXIBHKCFQGJDD-SSDOTTSWSA-N	321.280	1.583	50	20	DDGD	
CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)NNC(=O)c2ncccn2)C1	841593908	MQZASBVLHDDESY-MEDUHNTESA-N	317.393	1.732	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1	910163249	OARFSDJWSDMGHW-GFCCVEGCSA-N	321.421	1.306	50	20	DDGD	
CC[C@@H]1CCC[C@@H](NC(=O)NNC(=O)[C@H](C)OCCOC)C1	748634281	VENSTRHPVRXGDE-YNEHKIRRSA-N	315.414	1.337	50	20	DDGD	
O=C(CN1CCSC1=O)NNc1cccc2cnccc12	748754679	XAEWBRCJSLDNFZ-UHFFFAOYSA-N	302.359	1.847	50	20	DDGD	
CN(C)CCc1ccc(C(=O)NNC(=O)NC2CCCC2)cc1	847401307	HRYORUVLNPRCLC-UHFFFAOYSA-N	318.421	1.677	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H](C(=O)OC(C)(C)C)C(C)C	843776950	WTTZMIIUKIQOJR-SNVBAGLBSA-N	301.387	1.341	50	20	DDGD	
O=C(NNC(=O)c1cccc2nc(O)[nH]c12)NC1CCCCC1	847287695	ZJIBXHQFSIKXIB-UHFFFAOYSA-N	317.349	1.545	50	20	DDGD	
C[C@@H]1CCCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC1	744397584	QHGOMKBNECMSTH-CYBMUJFWSA-N	314.389	1.441	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC[C@H]1CCN1C)c1ccccc1	925415088	YFUXIRFGVMMQTA-ZIAGYGMSSA-N	304.394	1.215	50	20	DDGD	
C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)CC(C)(C)CCl	866865514	HMPJCDUNUCZVGG-NEPJUHHUSA-N	310.891	1.853	50	20	DDGD	
COc1cc(C=NNC(=O)c2cnn(C)c2)c2c(c1)C[C@H](C)O2	755730042	HIHJPOCILOGKAR-JTQLQIEISA-N	314.345	1.516	50	20	DDGD	
C[C@H](CCCCN)NC(=O)NC[C@@]1(C)C[C@@H]1Br	857103975	PHQAHVUBQLYOEH-JFGNBEQYSA-N	306.248	1.977	50	20	DDGD	
COc1cccc([C@H](CNC(=O)NNC(=O)CC(C)C)OC)c1	858653360	VHDQGPKFWRGZAG-AWEZNQCLSA-N	323.393	1.759	50	20	DDGD	
COCCC1CCN(C(=O)NNC(=O)c2ccccc2)CC1	858117120	AGZSXAJQVSKJGV-UHFFFAOYSA-N	305.378	1.790	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2ccc(C)c(F)c2)[C@@H]1OC	854006768	NKRSSAOTUKOPCD-MCIONIFRSA-N	311.357	1.953	50	20	DDGD	
Cc1cnc2cc(C(=O)NNC(=S)N[C@H](C)C3CC3)ccn12	855094894	HDMDCYKUYJBHDX-SNVBAGLBSA-N	317.418	1.550	50	20	DDGD	
CN(C)CCOCCNC(=O)NNc1ccc(Cl)cc1F	922145137	MSISZDQBMIMLCD-UHFFFAOYSA-N	318.780	1.683	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H]2CC[C@H](O)CC2)cc1	753715327	IXVUYIZAFCDYFI-HDJSIYSDSA-N	305.378	1.497	50	20	DDGD	
CO[C@@H](C)CNC(=O)NNC(=O)c1cccc2ncccc12	852530728	PQEMPMPWZYHFHH-JTQLQIEISA-N	302.334	1.214	50	20	DDGD	
CC(=O)NNC(=O)c1ccc(-n2cc(Br)cn2)cc1	920430598	SVYVYKYOKXHKHU-UHFFFAOYSA-N	323.150	1.416	50	20	DDGD	
O=C(COC(=O)c1cc[nH]c1)NNC(=O)c1cccc(Cl)c1	750495902	HJMNMOXZJGZLEP-UHFFFAOYSA-N	321.720	1.286	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)CCS(=O)(=O)N(C)C	928340539	UIHLASDHFIUHFA-UHFFFAOYSA-N	319.814	1.373	50	20	DDGD	
CNC(=S)N(C)NC(=O)Cc1coc2cc3c(cc12)CCC3	854929665	OEGPABJLGBEEIU-UHFFFAOYSA-N	317.414	1.931	50	20	DDGD	
CCO[C@H]1CCCC1=NNC(=O)CCCNC(=O)C(C)(C)C	853408410	QWAZDOHVHSBHSL-ZDUSSCGKSA-N	311.426	1.990	50	20	DDGD	
CCC(=O)N1CCN(C(=O)NC[C@]2(C)C[C@H]2Br)C1	856895265	ZKTCZQBJCSKWGG-SKDRFNHKSA-N	318.215	1.381	50	20	DDGD	
O=C(CN1CCc2ccccc21)NNC(=O)OCC(F)(F)F	856024109	IKTBRLKDMABDGY-UHFFFAOYSA-N	317.267	1.369	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)N[C@H]1CCCOc2ccccc21	858168633	ZDZZTRAVWFXYBI-LBPRGKRZSA-N	315.333	1.268	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2	754863228	RFNGATQXCLQIGE-BNOWGMLFSA-N	309.410	1.711	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cc[nH]n1	855359235	KULMMXHFUFFSCT-HTQZYQBOSA-N	304.272	1.539	50	20	DDGD	
C[C@H](CC=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1	755620240	FGIXRVQKCSFNAN-OCCSQVGLSA-N	308.403	1.717	50	20	DDGD	
COC(=O)C1CCC(NC(=O)NNC(=O)c2ccc(C)o2)CC1	752954698	MFKMGCRPJFDENG-UHFFFAOYSA-N	323.349	1.264	50	20	DDGD	
Cc1c(Cl)cccc1NC(=O)NNC(=O)c1cnccn1	755355334	XZPSYSHTWKQFSK-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
CO[C@H](C1CC1)[C@@H](C)NC(=O)NNC(=O)c1cc(C)cs1	858519941	BQOFSOZPKCJMAM-SKDRFNHKSA-N	311.407	1.814	50	20	DDGD	
CC(C)(C)n1cnc(NC(=O)NNc2ncc(Cl)cn2)n1	856855898	LMVBXZZKJWURTH-UHFFFAOYSA-N	310.749	1.625	50	20	DDGD	
O=C(C[C@@H]1CC(=O)N1)NNC(=O)c1cc2c(s1)CCCCC2	854249667	HUKBWFVVHUWNSV-JTQLQIEISA-N	321.402	1.057	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1cccc(Cl)c1F	755440630	FSDIJEVKXJSHCZ-UHFFFAOYSA-N	311.704	1.977	50	20	DDGD	
Cc1cc(C)cc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c1	853387863	RFEVMDPCDKMKSS-CVEARBPZSA-N	301.390	1.617	50	20	DDGD	
COC[C@H](C)OC(=O)/C(C#N)=C\c1cc2c(cc1OC)OCO2	758814318	CVISAMOGEQNLSP-OQTVPUDGSA-N	319.313	1.909	50	20	DDGD	
NC(=O)c1cc(C(=O)NNC(=O)CCCc2ccccc2)co1	759780866	KAWJONKUFXUFIZ-UHFFFAOYSA-N	315.329	1.162	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cnc2c(c1)COCC2	930754437	WUXWIMQXKXRSLC-UHFFFAOYSA-N	302.334	1.111	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(C#N)c(C)c2)o1	766547097	HHHTVIZMVIONAQ-UHFFFAOYSA-N	319.342	1.391	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)Cc2ccc(Cl)s2)n[nH]1	869015137	FPLOIBBMBZCUEN-UHFFFAOYSA-N	312.782	1.366	50	20	DDGD	
Cc1cc(=NNC(=O)c2c(C)nn(CCCl)c2C)cc[nH]1	862511113	HBLOEPONPLSCPX-UHFFFAOYSA-N	307.785	1.621	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNc1cccc(Br)n1	868819394	BZCABCWJMXZLRJ-QMMMGPOBSA-N	315.171	1.202	50	20	DDGD	
CC[C@]1(C(=O)NC[C@]2(C)C[C@H]2Br)CCNC1=O	869357372	QMRZLGVDQJRWQA-ZHAHWJHGSA-N	303.200	1.192	50	20	DDGD	
CC[C@](C)(O)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	935025502	QEXFXZYCNQEKLE-LBPRGKRZSA-N	322.333	1.287	50	20	DDGD	
O=C([C@@H](OC1CCCC1)c1ccccc1)N1CC[C@H](B(O)O)C1	864234818	WKLTZDONNDFBMB-HOCLYGCPSA-N	317.194	1.762	50	20	DDGD	
O=C(NN=C1CC[C@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)C1	769776798	DLWPTRCCHQELQO-OLZOCXBDSA-N	306.387	1.471	50	20	DDGD	
CC(=O)N[C@@H](C(=O)N(C)NC(=O)OCc1ccccc1)C(C)C	862284329	ATQLGLRAWXKUGW-CQSZACIVSA-N	321.377	1.447	50	20	DDGD	
CN1Cc2ccc(NC(=O)C(=O)NNc3ccccn3)cc2C1	1116558657	BJTCSKIPYWNIMM-UHFFFAOYSA-N	311.345	1.109	50	20	DDGD	
COC(=O)C(=O)NN=Cc1cc(C)c(OC(F)F)c(C)c1	1116195358	CSHVRRDSMPZQJO-UHFFFAOYSA-N	300.261	1.528	50	20	DDGD	
CC1=NO[C@H](CNC(=O)NNC(=O)Cc2ccc(Cl)cc2)C1	875983550	YZXHAXFVQVXQHL-LBPRGKRZSA-N	324.768	1.378	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=C1CCC[C@@H]1F	872381427	OZBMNVMSCZXHJI-CMPLNLGQSA-N	311.357	1.897	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](COCC(C)C)c1ccco1	875197477	PJIPJRCMMGIMGM-NSHDSACASA-N	313.354	1.906	50	20	DDGD	
O=C(NNC(=O)c1cccc2cc[nH]c12)c1n[nH]c2c1CCCC2	1116140110	VWVICMBDHRIOMH-UHFFFAOYSA-N	323.356	1.845	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N(C)Cc2cc(C)on2)c1	1118810432	IMVBZOUNNFDVBA-UHFFFAOYSA-N	308.363	1.839	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)[C@H]3C[C@@H](O)C3)cc2C1	873810198	IDGKZZXJMITZOG-INTQDDNPSA-N	308.403	1.405	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H](C)c2noc(C)n2)c1	1118807933	MTVTUPGUVNHENY-ZETCQYMHSA-N	309.351	1.453	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCCN2C2CC2)c1	873777241	JOZZBKYGJIWBIR-AWEZNQCLSA-N	318.446	1.939	50	20	DDGD	
COC(=O)[C@@H](C)n1cccc1C=NNC(=O)Cc1ccncc1	774587802	NVROBTORACJLPX-GFCCVEGCSA-N	314.345	1.310	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1ccccc1O	772069831	PDDBBRLEONFILB-LLVKDONJSA-N	322.361	1.060	50	20	DDGD	
O=C(Cc1ccccc1F)NN=Cc1ccc(O)c(C(=O)O)c1	777437614	SCJYLEBAOLKGJT-UHFFFAOYSA-N	316.288	1.922	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1F)C1(CO)CCOCC1	885107141	UKCXJKMQSWTENK-UHFFFAOYSA-N	302.733	1.711	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)COc1ccc(F)cc1)C(F)F	881015487	YNGWQGMRBIIEIC-JTQLQIEISA-N	319.283	1.579	50	20	DDGD	
O=C(NNc1cnccn1)c1ccc(N2CCC(O)CC2)cc1	775281580	VUFAGHRYWAGSGC-UHFFFAOYSA-N	313.361	1.195	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(F)ccc1F)N1CCSCC1	885142667	GSBVMEKSWUVSDF-VIFPVBQESA-N	301.362	1.845	50	20	DDGD	
Cc1ccc2c(c1)[C@H](NC(=O)NNC(=O)C1CCOCC1)CO2	883517679	CROZTFDXXPRHLB-CYBMUJFWSA-N	319.361	1.186	50	20	DDGD	
COCC(=NNC(=O)c1ccccc1OC)C1CCOCC1	780224856	JPSRXXNXXSKRAN-UHFFFAOYSA-N	306.362	1.854	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cn(-c2cccc(Cl)c2)nn1	780161160	YFCGTBVJTOPSSB-UHFFFAOYSA-N	305.725	1.092	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1nn(-c2ccccc2F)cc1O	780710728	GZWJYNPXWLNYRA-UHFFFAOYSA-N	321.312	1.023	50	20	DDGD	
Cc1ccccc1CC(=O)NNc1ccccc1S(N)(=O)=O	788230811	YKJGFNGDBBBDAY-UHFFFAOYSA-N	319.386	1.328	50	20	DDGD	
Cc1sc(=O)n(CCC(=O)NNc2ccc(C#N)cn2)c1C	899662385	UHEWWOFCEVIHMP-UHFFFAOYSA-N	317.374	1.327	50	20	DDGD	
CC(=O)CSCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	781864649	OTLLUOIDNACBHD-UHFFFAOYSA-N	324.446	1.672	50	20	DDGD	
CCCOc1cccnc1C(=O)NNC(=S)NC(C)(C)C	899995759	CZOLXWALAIXWAN-UHFFFAOYSA-N	310.423	1.778	50	20	DDGD	
N#C/C(=C\c1ccc(OCc2ccncc2)cc1)S(N)(=O)=O	799894440	UYWRAYHMWPSMIU-OQLLNIDSSA-N	315.354	1.814	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21)C(=O)N1CCCC1	795871377	CPTAJCPAVNXWDH-BFHYXJOUSA-N	321.421	1.363	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)COCc2ccccc2)cn1	796580463	ZJAAXWMXPIVNNK-UHFFFAOYSA-N	314.345	1.101	50	20	DDGD	
O=C(NNC(=O)c1ccnc(NC(=O)C2CC2)c1)c1ccccc1	794738361	IAGQKGFUKHPNRQ-UHFFFAOYSA-N	324.340	1.505	50	20	DDGD	
Cc1cccnc1NNC(=O)Cn1c(=O)cnc2ccccc21	791224391	SOWOOJPFDZNEMG-UHFFFAOYSA-N	309.329	1.243	50	20	DDGD	
CC[C@H]1CCC[C@@H]1NCC(=O)NNC(=O)Cc1nc(C)cs1	794576813	ZFQILRWCCUZYOA-RYUDHWBXSA-N	324.450	1.310	50	20	DDGD	
CCc1c(C(=O)NNC(=O)CN(C)C)cnn1C(CC)CC	792312724	IVKGSOCASBNOOD-UHFFFAOYSA-N	309.414	1.129	50	20	DDGD	
CCn1nc(C(=O)NNC(=O)Nc2ccccc2C)ccc1=O	798310867	XQDVQEQLJXXBNE-UHFFFAOYSA-N	315.333	1.038	50	20	DDGD	
Cn1c(C(=O)NNC(=O)c2ccccc2)cc2ccccc2c1=O	794741993	YRHPJCYLDHKPDX-UHFFFAOYSA-N	321.336	1.613	50	20	DDGD	
O=C(CN(CC1CCC1)CC1CC1)NNC(=O)c1ccccc1	796580241	IWUADSOVYXOHPJ-UHFFFAOYSA-N	315.417	1.960	50	20	DDGD	
C=CCOC(=O)/C(C#N)=C\c1ccc(OC)c(OCC(N)=O)c1	1317701167	CDPKKGBTOMBXRE-GHXNOFRVSA-N	316.313	1.195	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2ccc(C#N)c(C)n2)c1	1318461736	YETWRAUNRGQOIP-UHFFFAOYSA-N	324.340	1.410	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)Cc1cc(C(C)(C)C)n[nH]1	1324746162	NPHGDKGIROPHGX-JTQLQIEISA-N	309.414	1.085	50	20	DDGD	
CC(C)[C@H](C)N(C)C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1328612032	CIKNBERUWLSILE-KWBADKCTSA-N	319.243	1.779	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC2(CC1)CC(=O)N2	1324035384	PJVPEBBLWUNHJO-UHFFFAOYSA-N	324.812	1.233	50	20	DDGD	
Cc1cc(C)nc(NC(=O)C(=O)NNc2cncc(Cl)n2)c1	1322106359	DCFGUIANHYPJRR-UHFFFAOYSA-N	320.740	1.224	50	20	DDGD	
Cc1sc(C(=O)N2CC[C@@H](B(O)O)C2)cc1Br	585064045	LXAAXIIHXNLOLI-SSDOTTSWSA-N	318.001	1.508	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2C[C@H](C3CC3)O[C@H](C)C2)c1	1328815953	VKSFOBBYBZLPFK-ZYHUDNBSSA-N	323.418	1.910	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=S)Nc1cccc(F)c1F	1253546462	QFSIRQDJQMSNLC-UHFFFAOYSA-N	322.340	1.920	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=O)OCC(F)(F)F)c1C	1335983047	WYWRVFNFCYRWKJ-UHFFFAOYSA-N	308.260	1.535	50	20	DDGD	
COC(=O)c1ncoc1CCC(=O)NNc1cccc(C)c1	1331566644	RTDWVKJUUPWDKU-UHFFFAOYSA-N	303.318	1.846	50	20	DDGD	
Cc1cn(CC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c2ccccc12	1261501113	QACREIPEQQAQGX-OCCSQVGLSA-N	315.373	1.522	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2occ(C)c2C)cc1	1340934648	WUBRPLRPZYYQPL-UHFFFAOYSA-N	315.329	1.605	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc(OCC#N)cc1	1261459113	YRVJZWDTIVBJDL-GXFFZTMASA-N	318.333	1.167	50	20	DDGD	
COc1cc(Cl)cc(C(=O)NNC(=S)NC(C)C)c1	1347600061	HALJUXVBIBJYKK-UHFFFAOYSA-N	301.799	1.866	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2	1263307277	WSOFSUSRCBYJCM-CYZMBNFOSA-N	307.325	1.019	50	20	DDGD	
Cc1nn(C)cc1CC(=O)OC[C@@]1(C)C[C@@H]1Br	1263536844	FZXJOXNQMGALGK-CMPLNLGQSA-N	301.184	1.988	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCCO2)N[C@@H]1C=CCCC1	1340263608	WQYQLWCTHQWQOE-GFCCVEGCSA-N	317.345	1.511	50	20	DDGD	
O=C(CCCn1cncn1)NNc1cc(Cl)ccc1[N+](=O)[O-]	1354003968	XTMUQVAMOIKKIY-UHFFFAOYSA-N	324.728	1.763	50	20	DDGD	
O=C(CCc1ccc(C(=O)O)cc1)NNC(=O)[C@@H]1CCCCO1	1608316083	BQAYHTFDRKHBKQ-ZDUSSCGKSA-N	320.345	1.034	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(C(=O)O)cc1N(C)C	1605503975	PIZDCFNIKIRXPK-PKNBQFBNSA-N	303.318	1.833	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)NCCc2cscn2)cc1	1602127998	JFXDJTVKZYAUPQ-UHFFFAOYSA-N	320.374	1.639	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cnn3c2NCCC3)c(F)c1	1608904804	KAYYXACNMJAUFE-UHFFFAOYSA-N	319.296	1.293	50	20	DDGD	
O=C(NNc1ccc(Br)cc1F)[C@H]1C[C@H]1C(=O)O	1601555066	SWKLUWUIEWQBNP-NKWVEPMBSA-N	317.114	1.752	50	20	DDGD	
O=C(NNc1cccc(F)c1C(=O)O)c1cc(C(F)F)[nH]n1	1601560450	HIQJYSATLZSTBI-UHFFFAOYSA-N	314.223	1.942	50	20	DDGD	
C[C@H]1CCN(CCCI)[C@@H](C(=O)O)C1	1604752284	QKYDDLSLSYGJAX-DTWKUNHWSA-N	311.163	1.997	50	20	DDGD	
Cc1ccc(C(=O)NNc2nccnc2Cl)cc1C(=O)O	1600342630	VJNBVCSYJUMDGW-UHFFFAOYSA-N	306.709	1.894	50	20	DDGD	
CCC(F)(F)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1604044188	SZFDWBWQSQMCAS-UHFFFAOYSA-N	315.284	1.467	50	20	DDGD	
NC1CCC(NC(=O)NNc2cccc(C(=O)O)c2F)CC1	1610642254	GANLLTXTSZUSIU-UHFFFAOYSA-N	310.329	1.420	50	20	DDGD	
C=CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cl)COC	1802283891	MISCZCKWDLKICL-YVECIDJPSA-N	314.813	1.455	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)N[C@@H]1CC[C@H]2CNC[C@H]2C1	1610700679	VDCNPWIYGXXUCR-YNEHKIRRSA-N	318.377	1.399	50	20	DDGD	
COCC(=O)N1CCCC2(CCN(C(=O)[C@@H](F)Cl)CC2)C1	1809192643	UNUKNKFMUXPHDI-GFCCVEGCSA-N	320.792	1.398	50	20	DDGD	
Cc1ccoc1C=NNC(=O)[C@H]1CCCO[C@H]1c1ccnn1C	1549319139	INFBDRWKULESAY-SWLSCSKDSA-N	316.361	1.940	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@H](C)C1CNC1	1578266043	WUJCXSOISNTCHF-LLVKDONJSA-N	320.462	1.731	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)OCC(F)(F)F)[C@H]1CCCNC1	1575924958	BTDSIVXSARXYFB-BDAKNGLRSA-N	311.304	1.332	50	20	DDGD	
CSc1ccc(NNC(=O)C2=NO[C@@]3(CCNC3)C2)cc1	1579393060	LXEIKMNYJQDVRD-AWEZNQCLSA-N	306.391	1.360	50	20	DDGD	
O=C(C[C@@]12CCCC[C@H]1C2(F)F)NNC(=O)C1CCNCC1	1580515407	NWAFIVZTMRCALR-RISCZKNCSA-N	315.364	1.349	50	20	DDGD	
Nc1ncc(C(=O)NNC(=O)c2cc3c(s2)CCC3)s1	1580471164	CEVSAHDKSNJDSE-UHFFFAOYSA-N	308.388	1.350	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cnccn2)C1	1842384402	QBBQMRXHJRDDOO-LLVKDONJSA-N	322.796	1.311	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1590336427	HPNCNZDOSIFQDI-IONNQARKSA-N	322.756	1.388	50	20	DDGD	
CC1(C)CC[C@@H]1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	1590092089	DLGQOMHPWZHXDV-LLVKDONJSA-N	314.349	1.064	50	20	DDGD	
O=C(C1=CCCS1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843362401	SFLWTIOCGSOMIT-SNVBAGLBSA-N	318.801	1.745	50	20	DDGD	
CCC1(C(=O)N(c2nc(CC(=O)O)cs2)N(C)C)COC1	1595365244	NVZDVIMSBAPXBE-UHFFFAOYSA-N	313.379	1.006	50	20	DDGD	
COc1cccnc1CC(=O)NNc1ccc(C(=O)O)c(F)c1	1599719412	CPVMYHKBRHHKIZ-UHFFFAOYSA-N	319.292	1.613	50	20	DDGD	
CCn1ncc(C(=O)NNc2ccc(C(=O)O)cn2)c1C1CC1	1597953960	XBIKBEYABWZYFA-UHFFFAOYSA-N	315.333	1.631	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)COC	1847863095	QXBJEJKAGRGBCT-NDBYEHHHSA-N	316.829	1.488	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1C2CCC1(C(=O)O)CC2	1590701689	OKULUNHYBOUROA-UHFFFAOYSA-N	309.815	1.663	50	20	DDGD	
CCOc1cc(C(=O)NNc2cccc(F)c2C(=O)O)[nH]n1	1597005951	SNDQJPDSGCYNKL-UHFFFAOYSA-N	308.269	1.403	50	20	DDGD	
O=C(O)Cn1cccc1C=NNC(=O)c1cc2c(s1)CCC2	1595158199	GOCSAKJLCGKHKR-UHFFFAOYSA-N	317.370	1.887	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc(C(=O)O)c(C)c2)n1	1594150236	DDDVPDHETCIQEV-UHFFFAOYSA-N	317.305	1.640	50	20	DDGD	
COCCN(CC(C)C)NC(=O)/C=C/c1cc(C(=O)O)co1	1599235340	URNHDESCSAECIB-SNAWJCMRSA-N	310.350	1.627	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NN=Cc1ccc(C(=O)O)c(OC)c1	1776102058	FUKGRFYWUJKYHF-YPMHNXCESA-N	306.318	1.269	50	20	DDGD	
O=C(O)c1ccc2[nH]cc(C=NNC(=O)[C@H]3CCOC3)c2c1	1776058154	KDAINCKMNVQRAQ-JTQLQIEISA-N	301.302	1.353	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2c(F)cc(C(=O)O)cc2F)n[nH]1	1776028616	PQBLDUBSKRMCRP-UHFFFAOYSA-N	322.271	1.387	50	20	DDGD	
O=C(O)c1ccc2c(C=NNC(=O)c3nccs3)n[nH]c2c1	1776109713	WEROXNVFOUXYFV-UHFFFAOYSA-N	315.314	1.482	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)c1ccccc1	14283170	LCBHDLPRRKJBLK-IAQYHMDHSA-N	312.325	1.676	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccco2)cc1	14864408	LXBYFHWROOJTJZ-NSHDSACASA-N	318.329	1.907	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C	274577411	YMSRMZAENOUQJE-SNVBAGLBSA-N	311.382	1.097	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1cc(F)ccc1F	161802687	ZNVDSSFKQKHCKN-UHFFFAOYSA-N	308.313	1.991	50	20	DDGD	
COCCN1C[C@@H](C(=O)NNc2ccccc2Cl)CC1=O	158278350	YSTKODZQKNSIEQ-JTQLQIEISA-N	311.769	1.278	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2cccc(F)n2)c1	158797155	IBDHUXVZSGIIAT-UHFFFAOYSA-N	303.293	1.369	50	20	DDGD	
Cc1ccc(Br)c(C(=O)NNC(=O)N(C)C)c1	151069383	QKCMKFVDKZIGER-UHFFFAOYSA-N	300.156	1.674	50	20	DDGD	
C/C=C/C[C@@H](CO)NC(=O)NNC(=O)C(C)(C)c1ccccc1	274614056	VBFKMNJBARTIAQ-NNTXTVRGSA-N	319.405	1.622	50	20	DDGD	
N#Cc1ccc(Cl)c(S(=O)(=O)NNC(=O)C2CCC2)c1	274726251	GXMFQJXSZWRFOT-UHFFFAOYSA-N	313.766	1.321	50	20	DDGD	
O=CN1CCCN(S(=O)(=O)c2ccc(CCl)cc2)CC1	916219697	NIJBOIRCIRZUEQ-UHFFFAOYSA-N	316.810	1.278	50	20	DDGD	
O=C(COc1ccc2c(c1)CCC2)NNC(=O)c1ccccn1	8197934	RSBWATFSEMNFBS-UHFFFAOYSA-N	311.341	1.410	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)n(C)n1	52796625	HBAVVMLQJYRVBN-UHFFFAOYSA-N	318.293	1.103	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	52949339	LNXUYBDKBLENCO-LLVKDONJSA-N	313.398	1.437	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNC(=O)Cn1ccc2ccccc21	104632764	YJXWQYSMLSJMNH-AWEZNQCLSA-N	303.362	1.604	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CC[C@@H]2CCOC2)c1	177609791	BEXYNGWBXJCCOU-CYBMUJFWSA-N	306.362	1.338	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCCOc2ccccc2)c1	103505127	TZHYNTSSJKGXEI-UHFFFAOYSA-N	324.340	1.581	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1nncn1-c1ccccc1	110103120	STHIGUWRUNZBCK-JTQLQIEISA-N	319.390	1.305	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc2c(c1)C[C@H](C)O2	106007160	WFEHRALVZQAORW-ZJUUUORDSA-N	312.391	1.366	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cccnc1	23566874	HAYZADQMZZWBTF-JTQLQIEISA-N	303.293	1.449	50	20	DDGD	
Cc1ccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1C	68742270	DBSAFTOSMCVXLG-AWEZNQCLSA-N	310.419	1.409	50	20	DDGD	
Cc1cc(C[C@@H](C)NC(=O)NNC(=O)c2ccc(C)s2)n[nH]1	118972848	QFLIOUDENMMGMC-MRVPVSSYSA-N	321.406	1.663	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCCOc2cccc(F)c2)cn1	117679234	RQRVJPMJNKQBRP-UHFFFAOYSA-N	320.324	1.179	50	20	DDGD	
CCOC(=O)N[C@H](C(=O)NNC(=O)OC(C)(C)C)C(C)C	63460834	OUTVHCAJRKJMAC-VIFPVBQESA-N	303.359	1.313	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCN2CCC(C)CC2)n1	175277990	ZCITVOJXTJYZKN-UHFFFAOYSA-N	322.413	1.152	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	68501597	VRTKAJPKHSOPFI-NSHDSACASA-N	322.361	1.424	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)c1cccc2ncccc12	127221128	YKNRANRIIDSIAH-NSHDSACASA-N	301.346	1.811	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C(C)(C)NC(=O)OC(C)(C)C	67139419	CFAJMFNVHHHPHQ-UHFFFAOYSA-N	324.381	1.089	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNc1cc(Cl)ccn1	183014997	FECKJKFAKLCVFL-LLVKDONJSA-N	310.785	1.969	50	20	DDGD	
COc1cccc(NNC(=O)[C@H](NC(C)=O)C2CCCC2)n1	183033004	XKWSOEALDMLJJQ-CQSZACIVSA-N	306.366	1.228	50	20	DDGD	
CO[C@@H](C)CCC(=O)NNC(=O)CNc1ccc(C)cc1C	180778145	SLTRXPUAQLSQPW-ZDUSSCGKSA-N	307.394	1.678	50	20	DDGD	
CC[C@@H]1CCCCN1CCNC(=O)NNc1nccc(OC)n1	77644844	YGFRHDIDBLDYKK-GFCCVEGCSA-N	322.413	1.376	50	20	DDGD	
CCOc1ncccc1C(=O)NNC(=O)CNc1ccccc1	73302107	FSXHXWLGAWXQPL-UHFFFAOYSA-N	314.345	1.353	50	20	DDGD	
CCC1(CC)[C@@H](NC(=O)NNC(=O)c2ccc[nH]2)C[C@@H]1OC	123746850	QQBVJYUXDZIKGO-RYUDHWBXSA-N	308.382	1.552	50	20	DDGD	
CC(C)(C)c1ncc(/C=C/C(=O)NNC(=O)NC2CC2)s1	79759769	WWMSTBAVPGAUEO-VOTSOKGWSA-N	308.407	1.947	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccnc(F)c2)c2ccc(F)cc2N1	182491372	OWVLAQRNJHVFMP-NSHDSACASA-N	318.283	1.929	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H]2CC=CCC2)nc1C	182728350	KJBCVDUDLATNQK-LLVKDONJSA-N	304.350	1.761	50	20	DDGD	
CCc1nc(NC(=O)NNC(=O)c2cnn(C)c2)sc1C	186271603	YNFFZYPOHJEAIZ-UHFFFAOYSA-N	308.367	1.214	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)Cc2ccc(F)cc2)c(C)n1	183455621	PURIBTTZENHCPU-UHFFFAOYSA-N	302.309	1.236	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2ccc(F)c(F)c2)n1	181523118	HYKODTUVZYOVMY-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
O=S(=O)(CCCCCl)N1CC(O)(c2ccccc2)C1	285386771	NRWPQRGNUNNTOL-UHFFFAOYSA-N	303.811	1.539	50	20	DDGD	
CCOc1ccc(CC(=O)NNc2nccnc2OC)cc1	132122932	SYKFPDACDVLRLG-UHFFFAOYSA-N	302.334	1.570	50	20	DDGD	
COCCC1(C(=O)NNC(=O)CCCc2ccccc2)CC1	132518691	OWKGSAKUIWCEOS-UHFFFAOYSA-N	304.390	1.973	50	20	DDGD	
C=CCCC(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1	89373980	UMGNWFJUULCOTA-UHFFFAOYSA-N	309.753	1.070	50	20	DDGD	
COc1cccc([C@H](C)C(=O)NNc2nccnc2OC)c1	131733855	DWIGYJCOGSMIFU-JTQLQIEISA-N	302.334	1.741	50	20	DDGD	
CC[C@H](C)[C@H](C)NC(=O)NNC(=O)COc1ccc(C#N)cc1	194448357	KLPRVTPWCDZSPU-RYUDHWBXSA-N	318.377	1.702	50	20	DDGD	
COc1ccnc(NNC(=O)COC/C=C/c2ccccc2)n1	130001042	LVAGYTPUTLZZDL-VMPITWQZSA-N	314.345	1.658	50	20	DDGD	
NC(=O)NCc1ccc(C(=O)NNC(=O)CC2CCCC2)cc1	195219423	WHMSRKOLQIJWNF-UHFFFAOYSA-N	318.377	1.196	50	20	DDGD	
COc1ccc(CNC(=O)/C(C#N)=C\c2csnn2)cc1	193342525	DFUAAPKLJNSENI-WDZFZDKYSA-N	300.343	1.770	50	20	DDGD	
C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NNC(=O)C(C)(C)O	192922648	SCUDQWOPKKQXHZ-NSHDSACASA-N	322.405	1.670	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCc1ncoc1C	92521133	OBPQFWPOOPWFOY-UHFFFAOYSA-N	318.333	1.065	50	20	DDGD	
Cc1noc(CCC(=O)NN=c2sc3ccccc3n2C)n1	255638732	MEICHGBLMDWMPQ-UHFFFAOYSA-N	317.374	1.496	50	20	DDGD	
Cc1noc(C(C)C)c1C(=O)NNC(=O)Cc1cccnc1	264017185	FIXJQQWKKRAKFT-UHFFFAOYSA-N	302.334	1.505	50	20	DDGD	
CSc1nc(C)c(CCC(=O)NNC(=O)C2CCC2)c(O)n1	264835281	ZZFZRRJNAQJARD-UHFFFAOYSA-N	324.406	1.093	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)COC2CCCC2)n1	268565610	FXBZQFMDGGDTBM-UHFFFAOYSA-N	307.398	1.725	50	20	DDGD	
COc1ccnc(NNC(=O)Cc2c(OC)cccc2OC)n1	268385125	ZAYVDPWIYHFXDT-UHFFFAOYSA-N	318.333	1.188	50	20	DDGD	
COC[C@H](CNC(=O)NNC(=O)c1cc2ccccc2o1)OC	272908943	JHOAGBSKIYSKFV-NSHDSACASA-N	321.333	1.038	50	20	DDGD	
O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NNc1ccc(-n2ccnc2)nn1	278506564	AJOBFOCYWVMXQP-AVGNSLFASA-N	312.377	1.932	50	20	DDGD	
Cn1nc([C@H]2CCCOC2)cc1NC(=O)NNC(=O)CC1CC1	279841997	DNSJCPQQGKNFOX-NSHDSACASA-N	321.381	1.267	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@H]1COc2ccccc21	363530725	QHUSWROTFFKYNM-AWEZNQCLSA-N	314.316	1.692	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H]1CCO[C@H]1C1CC1	362457309	VXHXDFYQZGEXLZ-OCCSQVGLSA-N	319.361	1.207	50	20	DDGD	
CC(C)c1nnc(/C=C/C(=O)NNc2cc(Cl)nc(N)n2)o1	273369509	PMQABSCUDFXAIH-ONEGZZNKSA-N	323.744	1.375	50	20	DDGD	
COC(=O)N(C)NC(=O)C1=NN(c2cccc(C)c2)C(=O)CC1	376040136	XMMNDBJLTIOYBX-UHFFFAOYSA-N	318.333	1.207	50	20	DDGD	
CSc1nnc(CNS(=O)(=O)CCCCCl)s1	275605209	LMUHUSHMGQYFKK-UHFFFAOYSA-N	315.873	1.698	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNc1ccc(Br)cc1	270804400	GINXRVNTZNZXKS-ZETCQYMHSA-N	316.155	1.637	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)C(=O)Nc1cnn(C)c1	282214879	ZSWRPOSZPSKMSW-UHFFFAOYSA-N	301.350	1.373	50	20	DDGD	
C[C@H](CCN(C)C)NC(=O)NNc1ccc2c(O)nccc2c1	287062986	AZAIGBXNPSBURV-LLVKDONJSA-N	317.393	1.907	50	20	DDGD	
COC(=O)CCCC(=O)NNc1ccc2c(O)nccc2c1	287746125	DUUCTCBSYDMSFE-UHFFFAOYSA-N	303.318	1.727	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NNc1nc(C)cc(C)n1	281782210	KOZGKDMSNLJXOH-STQMWFEESA-N	305.382	1.701	50	20	DDGD	
COCC(C)(C)CCCNC(=O)NNC(=O)c1ccc(C)o1	286853919	FZCWIDMAWWKHMC-UHFFFAOYSA-N	311.382	1.985	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNc2ccc3c(=O)[nH]ccc3c2)CCO1	803437404	PDPJVPLNYQLUDP-PWSUYJOCSA-N	301.346	1.786	50	20	DDGD	
CCOC(=O)CC(C)(C)CC(=O)NNc1ncncc1Cl	807323216	OFMGGQPWRZMXIX-UHFFFAOYSA-N	314.773	1.943	50	20	DDGD	
O=C(NNc1ncccc1F)Nc1ccc(-n2cnnn2)cc1	806144744	UFEBAPDKFNEWPJ-UHFFFAOYSA-N	314.284	1.345	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H]2CCC(=O)C[C@@H]2C)cc1	802061990	BNBPOMFGMUNHNS-HZMBPMFUSA-N	319.361	1.853	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1ccc2c(c1)C(=O)OC2	808877790	FXOWMSDSLQNOHB-UHFFFAOYSA-N	305.334	1.946	50	20	DDGD	
O=C(Cc1ccc(O)cc1)NNc1ccc(-n2ccnc2)nn1	804953001	ZZXPZGPJJIOKAG-UHFFFAOYSA-N	310.317	1.054	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1cccc(O[C@H](C)C(=O)O)c1	299332905	QBLARZURTSNSNF-KAQJVSAMSA-N	319.313	1.635	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2cc3cc(F)ccc3o2)CC1	807380514	IQVXUFUCUJBKFI-UHFFFAOYSA-N	320.324	1.174	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(N(C)C)c2ccccc2n1	290344797	KTAUPKXPJNUMNM-UHFFFAOYSA-N	315.377	1.607	50	20	DDGD	
CC[C@@H](C)[C@H](CNC(=O)NNc1nc2ccccn2n1)OC	298209613	UNBHDTFTJCYBSH-MNOVXSKESA-N	306.370	1.417	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]21	291015997	XGYCGSVUZOFWAD-ZKYQVNSYSA-N	321.333	1.398	50	20	DDGD	
Cn1cncc1C(=O)NNC(=O)c1cccc(Br)c1	809697928	RMKHSNJDPVGPOR-UHFFFAOYSA-N	323.150	1.257	50	20	DDGD	
Cc1cccc(Cl)c1NC(=O)C(=O)NNC(=O)C1CCC1	298406912	HOOHIWAROGNALB-UHFFFAOYSA-N	309.753	1.534	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cccc(OC[C@H]2CCCO2)c1	299294853	IQOFOIOGJLBGLQ-CQSZACIVSA-N	321.377	1.597	50	20	DDGD	
Cc1nc(C(C)C)ccc1C(=O)NNc1ncnc2nc[nH]c12	295778857	JCJVDSKGMIKEQZ-UHFFFAOYSA-N	311.349	1.937	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cccc(F)c1Cl	295316531	GGYLUNYKBPAECB-JTQLQIEISA-N	300.717	1.809	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(N2CCOC2=O)ccc1F	804124066	ZGDSAKDDFNVDJU-UHFFFAOYSA-N	311.269	1.125	50	20	DDGD	
C[C@@H](C(=O)NNc1ncncc1F)c1cccc([N+](=O)[O-])c1	817078176	UMTMWIBNHZZJJS-MRVPVSSYSA-N	305.269	1.771	50	20	DDGD	
COCCC(COC)=NNC(=O)COc1ccc(C)c(C)c1	812223671	HVGUSXWDGULBTN-UHFFFAOYSA-N	308.378	1.837	50	20	DDGD	
O=C(NNc1ncncc1F)N[C@@H]1CCOc2ccc(F)cc21	814323146	YUXHWCJVLOYOKM-LLVKDONJSA-N	321.287	1.905	50	20	DDGD	
CCC1(CC)C(=O)NCCC1=NNC(=O)c1ccc(O)c(O)c1	819809131	AIRCVBKPAXHFPH-UHFFFAOYSA-N	319.361	1.510	50	20	DDGD	
C[C@@H](Cc1cncc2ccccc12)C(=O)NNC(=O)C(C)(C)O	813530532	SYXNKGDHUFCDMR-NSHDSACASA-N	315.373	1.332	50	20	DDGD	
CCc1c(C(=O)NNC(=O)CC2CC2)cnn1-c1ccccc1	819110232	WGQXXCSKWURYLF-UHFFFAOYSA-N	312.373	1.996	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@H](C)OCC(C)C)c1	728206251	DVLKEXWQBGBUDC-LBPRGKRZSA-N	323.393	1.316	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc(NC(=O)O)cc1)C1CC1	825465123	HONUOCHFYUWMRJ-QMMMGPOBSA-N	322.390	1.684	50	20	DDGD	
O=C(COc1cccnc1)NNC(=O)c1ccc2ccccc2n1	728064361	DPDYXSSPYUICGG-UHFFFAOYSA-N	322.324	1.470	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)OC(C)(C)C)c(F)c1	496352952	WGFSSQXAYYYPRO-UHFFFAOYSA-N	320.342	1.552	50	20	DDGD	
C=C(C)C(C)(C)C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	821439784	OAGSCOFMRALXTQ-UHFFFAOYSA-N	318.373	1.902	50	20	DDGD	
CC(Cc1cnccn1)=NNC(=O)CCNC(=O)OC(C)(C)C	496496605	LJWRDRNAJTXFET-UHFFFAOYSA-N	321.381	1.426	50	20	DDGD	
COCc1nccc(NC(=O)NNc2nc(C)cc(C)n2)n1	825497387	HMBNVLBKQNBEAF-UHFFFAOYSA-N	303.326	1.178	50	20	DDGD	
CCCNC(=O)NN=C(C)c1ccc(-c2nn[nH]n2)cc1F	825332189	FNJDKSGFMUKDMM-UHFFFAOYSA-N	305.317	1.439	50	20	DDGD	
C#CCN(CC(=O)NNC(=O)c1cc(C)c(CC)s1)C1CC1	491716807	UUPNVPXUJLKPJH-UHFFFAOYSA-N	319.430	1.478	50	20	DDGD	
Cc1nc(C(C)C)sc1C(=O)Nc1cccc(B(O)O)c1	584910680	PRQQQZDFTRGLTE-UHFFFAOYSA-N	304.180	1.507	50	20	DDGD	
OB(O)c1ccccc1CNCCCc1cc(F)cc(F)c1	585033300	ASBKZKSBSGMFJF-UHFFFAOYSA-N	305.133	1.367	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(CC)c1ncc(C(=O)OC)s1	491128726	DZYKFYNQBSJSNL-CMDGGOBGSA-N	309.347	1.727	50	20	DDGD	
CC[C@]1(O)CCN(C(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)C1	490907000	FYLPSOPMZKGQEF-ROOCWEIGSA-N	312.373	1.486	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CCS[C@@H]2C)c1	828548554	FMFCRZSBGCAQFJ-SKDRFNHKSA-N	309.391	1.993	50	20	DDGD	
Cc1cc(C=NNC(=O)CCNC(=O)OC(C)(C)C)cnc1F	901216069	OFMNKCVTBBSEDS-UHFFFAOYSA-N	324.356	1.894	50	20	DDGD	
COC(=O)NNC(=O)C1(c2ccc(OC)c(OC)c2)CCC1	495327503	ZFMWJNBVJOPTJF-UHFFFAOYSA-N	308.334	1.513	50	20	DDGD	
C[C@@H](OCC1CC1)C(=O)NNc1cccc(-c2nn[nH]n2)c1	824727542	BCNFWQQUNKLYKW-SECBINFHSA-N	302.338	1.125	50	20	DDGD	
CCN(CCO)NC(=O)c1cnc(OCC(C)C)c(Cl)c1	823874397	SODDUABJRWLJBT-UHFFFAOYSA-N	315.801	1.729	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CC=CC[C@@H]2C(F)(F)F)c(F)c1	585049021	ADCYTHGUAFAXRA-AAEUAGOBSA-N	317.091	1.492	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cc(C(=O)O)ccc2O)n1	738369751	QMKJMRVOYIMGRT-UHFFFAOYSA-N	316.317	1.054	50	20	DDGD	
O=C(NNC(=O)c1ncoc1C(F)(F)F)NC1CCCC1	824349613	QCFGGFKNKKIGAI-UHFFFAOYSA-N	306.244	1.580	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)[C@H](C)C#N)cc1OC	735837046	PGOJZRLBTDOPLG-LLVKDONJSA-N	319.361	1.795	50	20	DDGD	
CN(C)c1ccc(C(=O)O)cc1C=NNC(=O)[C@@H]1CCCS1	901255729	VTLNDSMITVSJJL-ZDUSSCGKSA-N	321.402	1.797	50	20	DDGD	
CCCNC(=O)CCC(=O)NN(CCC)C(=O)OC(C)(C)C	496415672	LFLNWZOGCMJELV-UHFFFAOYSA-N	315.414	1.971	50	20	DDGD	
CC(C)CCC(=O)NCC(=O)NN(C)C(=O)OC(C)(C)C	497223146	SODYOWYPIKQDSR-UHFFFAOYSA-N	301.387	1.437	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC(OC[C@@H]2CCOC2)CC1	490842024	KCOZXKIEZGYITQ-NXXVSJRMSA-N	308.378	1.474	50	20	DDGD	
CC1(C(=O)NNC(=O)c2cccc3ncccc23)CCOCC1	730226343	HZJHUSDNJNIZSB-UHFFFAOYSA-N	313.357	1.813	50	20	DDGD	
Cc1ncsc1/C=C\C(=O)NNC(=O)Cc1ccncc1	492720392	ZJOXODONJNZAOK-IHWYPQMZSA-N	302.359	1.250	50	20	DDGD	
CN(NC(=O)Cn1cc2ccccc2n1)C(=O)OC(C)(C)C	495979666	NVCWDFZYYDTRNZ-UHFFFAOYSA-N	304.350	1.934	50	20	DDGD	
C[C@@H](Oc1cccc2ccccc12)C(=O)N1CC[C@H](B(O)O)C1	585063686	FMPKYSGDXJOOFM-OCCSQVGLSA-N	313.162	1.682	50	20	DDGD	
C[C@H](C(=O)NNC(=O)COc1ccccc1O)c1cccs1	737843390	AOFDXACHXOJFPB-JTQLQIEISA-N	320.370	1.784	50	20	DDGD	
Cc1cccc(NNC(=O)C2CCC3(CC2)NC(=O)NC3=O)c1	733358962	SFSLUMAZBZYREB-UHFFFAOYSA-N	316.361	1.207	50	20	DDGD	
CN(NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1CC1	496818013	SIPKBQCZBHOJSG-LBPRGKRZSA-N	310.398	1.699	50	20	DDGD	
CC[C@@H]1CCC[C@H]1CNC(=O)NNC(=O)Cn1nc(C)cc1C	838651253	WNZSSMPSBKAUBF-KGLIPLIRSA-N	321.425	1.657	50	20	DDGD	
CCOC(=O)c1cnc(NC(=O)[C@]2(C)C[C@H]2Br)[nH]1	909989439	RHCYOTFFNNZYHT-RDDDGLTNSA-N	316.155	1.698	50	20	DDGD	
CCC(COC)=NNC(=O)c1nn(CC)c(=O)c2ccccc12	735970593	JMVNCFSNQSPNSN-UHFFFAOYSA-N	316.361	1.559	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCc2ccc(O)cc2C1	738323176	BKNLRPNAFRMBKP-LBPRGKRZSA-N	319.405	1.332	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=Cc1c(F)cccc1F	730586555	LSUUGLLPNWTWTQ-UHFFFAOYSA-N	324.312	1.442	50	20	DDGD	
CCSc1cccc(CNCc2ccc(B(O)O)cc2F)c1	585043547	QUZRQPDSKSRHFW-UHFFFAOYSA-N	319.210	1.907	50	20	DDGD	
CC(=O)Nc1cccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	831127086	AZVZWERPUYXYES-NOZJJQNGSA-N	320.349	1.223	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCC(C)(C)C(=O)O)cc(C#N)n1C	832853829	VUZGVNCSXUZYNO-LFYBBSHMSA-N	314.345	1.339	50	20	DDGD	
C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cccc(B(O)O)c1	584989386	COVRLRWIVJDDIM-TZMCWYRMSA-N	303.211	1.653	50	20	DDGD	
CC(C)Oc1ccc(Cl)cc1C(=O)N1CC[C@H](B(O)O)C1	585073386	XSFFANIWZPQFFV-JTQLQIEISA-N	311.574	1.816	50	20	DDGD	
CC(Cc1cnccn1)=NNC(=O)[C@H](C)CN1CCC(C)CC1	834933385	OYLBVWWWKDRTCF-CQSZACIVSA-N	317.437	1.879	50	20	DDGD	
Cc1noc(C)c1C[C@@H](C)NC(=O)NNC(=O)CC(F)(F)F	739050096	SQNADURAJSUUBA-ZCFIWIBFSA-N	322.287	1.505	50	20	DDGD	
CC(C)NC(=O)CN(C)CC(=O)NNc1ccc(C(C)C)cc1	837055437	FSGJPBIFIVEGQV-UHFFFAOYSA-N	320.437	1.710	50	20	DDGD	
COc1c(F)cc(S(=O)(=O)NNC(=O)C(C)(C)C)cc1F	901855421	MYGMWWQEHBDXQY-UHFFFAOYSA-N	322.333	1.329	50	20	DDGD	
Cc1ccc(-n2nc(C(=O)N3CC[C@@H](B(O)O)C3)cc2C)cc1	585063956	AFJAOICFOVMDBO-CYBMUJFWSA-N	313.166	1.178	50	20	DDGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)[C@H]1[C@@H]2CCC(=O)[C@@H]12	905111877	VRDDHQBLKMYMRB-USWWRNFRSA-N	323.805	1.883	50	20	DDGD	
C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NNC(=O)C1CCC1	732141541	SHFRGMAVCOCRCW-LLVKDONJSA-N	302.374	1.890	50	20	DDGD	
O=C(NNc1ccccc1C(F)(F)F)NC1CN(C(=O)O)C1	831742804	RRKRDNONJXMUFT-UHFFFAOYSA-N	318.255	1.694	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CCn3ccnc32)cc1C	834935718	MYKHSYNFOFAMMB-UHFFFAOYSA-N	311.345	1.363	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCCC[C@H]1C=NNC1=O	912469679	FMGPXUQHLMKZLJ-DTWKUNHWSA-N	318.215	1.424	50	20	DDGD	
C[C@H]1Cc2ncn(CC(=O)NNC(=O)C(C)(C)C)c2C[C@H]1C	830918603	GEYUUEOTRLXHTN-WDEREUQCSA-N	306.410	1.447	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cc2c(nc1O)CCC2	916146654	OWLMDESHLKRLRK-UHFFFAOYSA-N	311.341	1.659	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCCCCC1)c1ccncn1	834934240	MUTGFUODKJXDLR-ZDUSSCGKSA-N	303.410	1.829	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCC[C@@H](OC)C1	830191227	YOXRJLICDZUUJI-NWDGAFQWSA-N	316.398	1.128	50	20	DDGD	
C[C@@]1(C(=O)NCCCOc2ncccn2)C[C@H]1Br	911974944	BORVTVVPPOGPPQ-BXKDBHETSA-N	314.183	1.535	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(C(=O)O)c(F)c2)n1	831972871	UIRJIIJEMLELAG-UHFFFAOYSA-N	320.280	1.388	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2ccc3c(c2)OCCO3)c2nccn21	834937581	UKGPVCIUANXBRL-SNVBAGLBSA-N	312.329	1.753	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc(NC(C)=O)cc1	916354252	AFUFXNLVOWPLMW-UHFFFAOYSA-N	304.394	1.827	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NNC(=S)NCC1CCC1	912105625	GJOWMUXNPVEZRG-ZANVPECISA-N	321.450	1.371	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCCCOC1CCCC1	747306153	VELDTELSYPTGFO-UHFFFAOYSA-N	311.304	1.619	50	20	DDGD	
O=C(NNC(=O)c1ccc(-c2ccccn2)nc1O)c1ccc[nH]1	746818824	IYKGSFUTRZKSQN-UHFFFAOYSA-N	323.312	1.252	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(-n2ccnc2)cc1	748257790	KSVVCRHLSIPXFX-ZDUSSCGKSA-N	316.361	1.374	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1c(F)cccc1Cl	843638498	CSDXSACOBBHNGB-IUCAKERBSA-N	314.744	1.594	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1ccc(C#N)cc1	843643586	MUVYQTSXNFANKC-FZMZJTMJSA-N	301.346	1.063	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CCCn1c(=O)oc2ccccc21	917180268	LTCSGABBHWUBBW-UHFFFAOYSA-N	319.361	1.568	50	20	DDGD	
Cc1cccc2c1C(=NNC(=O)Cc1cc(O)nc(O)n1)CC2	841628542	YFWAXPSXFJWMJR-UHFFFAOYSA-N	312.329	1.205	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	915261073	CSYVILFJXSXTNS-LKBWSCCASA-N	321.421	1.265	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)[C@@H]1COc2ccccc2O1	749756979	LHDHEEBWXMGEQD-SKDRFNHKSA-N	309.391	1.120	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1cc(OC)c(OC)cc1F	844274618	DWMRZEJLCVAHDX-WDZFZDKYSA-N	309.293	1.939	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cnc(C)n2C)c1C	912451243	FLGUBQPDHHKJAV-UHFFFAOYSA-N	302.334	1.580	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cnn(C(C)(C)C)c2)n1	740114170	RLXQDDHWNBQZFA-UHFFFAOYSA-N	303.370	1.251	50	20	DDGD	
O=C(NN=Cc1ccc(O)c(O)c1)Nc1ccc(C(=O)O)cc1	743444719	RJTXKICJSULJTL-UHFFFAOYSA-N	315.285	1.952	50	20	DDGD	
COc1ccc([C@H](C)C(C)=NNC(=O)C(=O)N2CCCC2)cc1	747630708	RQIOTMWAACPNJD-GFCCVEGCSA-N	317.389	1.913	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=C1CCN(Cc2ccccn2)CC1	842556846	PBOBJXPXNRDIRD-XJKSGUPXSA-N	316.405	1.575	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=Cc1ccccn1	916371902	NLCRHLIQMKZDKG-BFHYXJOUSA-N	304.394	1.277	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H](C)CN2C[C@H](C)O[C@H](C)C2)c(C)[nH]1	917576281	PYDOTDLAWQCARB-BNOWGMLFSA-N	320.437	1.827	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NC[C@@H]2CCCCN2)cc1	841919629	BLLZQJWCBYKEDV-LBPRGKRZSA-N	321.381	1.173	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)C1C(C)(C)C1(C)C	746575638	JSLDVVCBWIRWNE-UHFFFAOYSA-N	306.366	1.605	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1c[nH]c(C(N)=O)c1	917430077	DFOUGCGRRVMLBI-UHFFFAOYSA-N	303.274	1.858	50	20	DDGD	
C=CCn1cc(C(=O)NNC(=O)CCCc2ccccc2)nn1	843542311	DZFTTXKUWITGAJ-UHFFFAOYSA-N	313.361	1.248	50	20	DDGD	
O=C(O)Nc1ccc(CCNC(=O)NNc2cccnn2)cc1	740023490	OYWVBKFJEBZQHL-UHFFFAOYSA-N	316.321	1.435	50	20	DDGD	
CN1CCC(C(=O)NNc2cc(O)nc3ncccc23)CC1	913993231	STPAMVMBTHTBDO-UHFFFAOYSA-N	301.350	1.120	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cn(C)c2ccccc12)[C@H](C)O	842225169	TVICRSGQNFHIHZ-WDEREUQCSA-N	303.362	1.346	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)CCc1ccccc1Cl	849303707	IJXVKAXWFAIDOB-UHFFFAOYSA-N	318.826	1.879	50	20	DDGD	
CC(=NNC(=O)N(C)C)c1ccc(O)c(CN2CCOCC2)c1	745602264	GFNOEQSMORRMGL-UHFFFAOYSA-N	320.393	1.220	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(OC2CCC2)cc1	843652325	JBABFVORCDSMST-NHYWBVRUSA-N	318.373	1.804	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ccnc(C3CC3)n2)n1	748333928	HZLOPHNLTBTXBT-UHFFFAOYSA-N	304.741	1.863	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H](C)Cc1ccc(C#N)cc1	847393032	HJJSUMQKEFVFGM-GFCCVEGCSA-N	318.377	1.104	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])ccc1=O	920451580	GQEYMUPKLOEDJB-UHFFFAOYSA-N	322.708	1.704	50	20	DDGD	
O=C(NNC(=O)c1cccc2ccccc12)NC1CCNCC1	841915510	QXJPPCUYIIPSFX-UHFFFAOYSA-N	312.373	1.536	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)C1CC(F)(F)C1	753606563	DQQOSPZTDIVCDI-UHFFFAOYSA-N	307.300	1.834	50	20	DDGD	
COCc1nc(C(=O)NC[C@@]2(C)C[C@@H]2Br)no1	857250144	SBUOPRAITIUPIM-QUBYGPBYSA-N	304.144	1.119	50	20	DDGD	
CCCNC(=O)NN=C(C)c1cccc(S(=O)(=O)NC)c1	920988392	JVCUWPSBUGUJOH-UHFFFAOYSA-N	312.395	1.028	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCCOCCc1ccccc1	854925899	PGESUSBZUBQSNX-UHFFFAOYSA-N	309.435	1.493	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2nc(O)n[nH]2)cc1	754354331	KBBCPJWREYDEIL-YRNVUSSQSA-N	313.317	1.132	50	20	DDGD	
Cc1ccccc1[C@H](CO)N(C)C(=O)/C(C#N)=C/c1cnn(C)c1	923719356	KKEDHOMESZRDMS-BXUGYJKXSA-N	324.384	1.828	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](C(=O)NNC(=O)Cc2ccc(F)cc2)CCO1	929331868	YAHVHKZQCDOYFZ-ZFWWWQNUSA-N	322.380	1.967	50	20	DDGD	
CCNc1ccc(Cl)cc1C(=O)NN(C)C(=S)NC	854920075	JJFIKQUUCNOBEU-UHFFFAOYSA-N	300.815	1.853	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCCCC#N)c2ccccc2n1	753262879	NIDPUQMPWJBYBF-UHFFFAOYSA-N	311.345	1.791	50	20	DDGD	
CCNC(=O)N1CC[C@@H](NC(=O)NNc2ccc(C)c(F)c2)C1	853859990	AJAHXDPVTKSPQT-GFCCVEGCSA-N	323.372	1.564	50	20	DDGD	
CCN1CC[C@H](NC(=O)NC[C@@]2(C)C[C@@H]2Br)C1=O	856855290	ALCIBMZKNNRMCE-HOTUBEGUSA-N	318.215	1.080	50	20	DDGD	
CCc1nc(C=NNC(=O)CNC(=O)c2cccs2)cs1	755678174	GKBMVEYXZIVXMW-UHFFFAOYSA-N	322.415	1.647	50	20	DDGD	
COC[C@@H](NCC(=O)NNC(=O)c1cccs1)c1ccco1	754334927	BLHBHGDUAWJZOX-SNVBAGLBSA-N	323.374	1.079	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)N2CCC[C@@H]2C2CCCCC2)N1	858693854	AECXFUNWNQWRNB-QWHCGFSZSA-N	322.409	1.051	50	20	DDGD	
CCc1cccnc1C(C)=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	853389489	KKWMCQFIZPMNBU-CABCVRRESA-N	316.405	1.347	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C1[C@@H]2CCCCCC[C@@H]12	850304712	OULWIQHVHDFPQW-QJPTWQEYSA-N	310.394	1.692	50	20	DDGD	
CCN(CC)C[C@@H](C)NC(=O)NNc1ncc(Cl)cn1	856848866	LMKUAXWWINDSMO-SECBINFHSA-N	300.794	1.486	50	20	DDGD	
CC(C)(C)OC(=O)[C@@H](C(=O)NNC(=O)c1cc[nH]n1)C(C)(C)C	855356882	ZSBKJHLYZOIHPF-SNVBAGLBSA-N	324.381	1.175	50	20	DDGD	
CC(C)N1CC(=NNC(=O)CCCNC(=O)C(C)(C)C)[C@@H](C)C1	853407859	YBSDFIAYZYOYNZ-ZDUSSCGKSA-N	324.469	1.761	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)COc2ccc(F)cc2)[C@@H]1C	858144817	VIEBUZCNKLKCBA-JNIYBQFBSA-N	324.352	1.411	50	20	DDGD	
O=C(NN=Cc1ccnc2ccccc12)C(=O)Nc1ccccn1	758388082	VWISWMRVMGJZNP-UHFFFAOYSA-N	319.324	1.719	50	20	DDGD	
CC(C)Nc1ccc(C(=O)NNc2cc(Cl)nc(N)n2)cn1	753449215	BHYWUIACWCTYLC-UHFFFAOYSA-N	321.772	1.684	50	20	DDGD	
CC(C)(C=NNC(=O)c1cc[nH]n1)CNC(=O)OC(C)(C)C	853391455	MUVLKCUCVMCCTH-UHFFFAOYSA-N	309.370	1.676	50	20	DDGD	
C[C@H](O)CN1CCN(C[C@@H](CBr)C2CC2)[C@@H](C)C1	859263470	ZZROVEJYBRRSAB-SGMGOOAPSA-N	319.287	1.794	50	20	DDGD	
CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)NNc1ccncn1	852694230	QZBBDJXKYUSFOQ-HZMBPMFUSA-N	307.354	1.225	50	20	DDGD	
CC1=C(C(=O)NNc2cc(F)ccc2C)S(=O)(=O)CCO1	855366746	JVRSBTFLAQHIQP-UHFFFAOYSA-N	314.338	1.254	50	20	DDGD	
O=C(NCCOCCF)NNC(=O)c1ccc2ccccc2c1	851964109	WQHGJBYKSFXIBO-UHFFFAOYSA-N	319.336	1.770	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@]1(C)CCOC1	757683545	RNVDSPZRJGNWHP-MRXNPFEDSA-N	306.362	1.202	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)OCCN2CCOCC2)cc1	866062777	VKLDESQINMCYIK-NTCAYCPXSA-N	316.357	1.478	50	20	DDGD	
CN1CCN(CC(=O)NNc2c(Cl)cccc2Cl)CC1	763625093	VSWKFVXNCQMSMA-UHFFFAOYSA-N	317.220	1.684	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C=NNC(=O)c2cn[nH]c2)C1	863153864	GCHUHGWWNHOORM-NHYWBVRUSA-N	319.365	1.382	50	20	DDGD	
CCC[C@H](O)C(=O)NNC(=O)c1cc(C)nc2ccccc12	935796849	ZMAAABCKAHTPAZ-AWEZNQCLSA-N	301.346	1.465	50	20	DDGD	
CCc1noc(C)c1C(C)=NNC(=O)Cn1nc(C)cc1C	769796445	HIGPJHQSKMQZHX-UHFFFAOYSA-N	303.366	1.899	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cc1ccc(O)c(Cl)c1	869068389	PMCQMCNHBYNSHP-PSASIEDQSA-N	312.753	1.161	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2c[nH]cc2-c2ccccc2)n[nH]1	768277445	SKJRPGNCQDMBID-UHFFFAOYSA-N	309.329	1.788	50	20	DDGD	
CCCNC(=O)NN=C1CCCC[C@H]1n1ccc([N+](=O)[O-])n1	760254801	RJRXCSMBSKJZFN-LLVKDONJSA-N	308.342	1.972	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1csc([C@H]2CCCO2)n1	760914153	HABATJVNMJMFDP-SECBINFHSA-N	309.326	1.681	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)OC[C@H]2COC(=O)O2)c1	763896322	LQQUOEMKMOTEAJ-PTJCHJMSSA-N	303.270	1.681	50	20	DDGD	
CC1(C)CC(=NNC(=O)[C@H]2CCC(=O)N2)c2ccccc2O1	863148862	LSSTYVGFBGNUQL-LLVKDONJSA-N	301.346	1.347	50	20	DDGD	
COc1ccccc1C(=O)C(=O)NNC(=O)c1ccccc1F	760453621	HGZDWWMCEZRLSN-UHFFFAOYSA-N	316.288	1.478	50	20	DDGD	
CN(C)C(=O)NN=Cc1ccc(Br)cc1[N+](=O)[O-]	767778938	GHMPMXLCNYSEIP-UHFFFAOYSA-N	315.127	1.962	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Cc1cccnc1C	1117392392	QQBQGHKEZVRHIR-UHFFFAOYSA-N	313.357	1.331	50	20	DDGD	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)NNC(=O)C1CCNCC1)C2	1117965911	JOJCQEBNGZXGBR-DCGLDWPTSA-N	322.453	1.531	50	20	DDGD	
O=C(NNC(=O)C1(F)CCOCC1)c1ccc(Cl)nc1	864902820	OGLNBIMWZHGDEZ-UHFFFAOYSA-N	301.705	1.015	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(-c2cccc(OC)c2)no1	860664275	CZNXKZDYKNTLDO-UHFFFAOYSA-N	318.333	1.656	50	20	DDGD	
Cn1nccc1CCNC(=O)NNC(=O)c1ccccc1Cl	1116594668	LTDFNBURVRHODV-UHFFFAOYSA-N	321.768	1.260	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@H]2CCSC2)c1C	761805475	RGWGMGZYTPTWLS-STQMWFEESA-N	322.430	1.971	50	20	DDGD	
CCO[C@@H](C)c1ncc(C(=O)NNc2ncc(F)cn2)s1	760909231	ZTNXPVAMGZBBDU-ZETCQYMHSA-N	311.342	1.927	50	20	DDGD	
CC(C)c1nn(C)cc1C(=O)NNC(=S)Nc1ccccn1	874956966	VSHGKHFNBWZRSR-UHFFFAOYSA-N	318.406	1.570	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2CC[C@@H]2C(N)=O)c(C)c1	873761246	VRNGPZXHHAKSKL-WDEREUQCSA-N	320.418	1.133	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CCO[C@H](C)C2)cc1	770354198	VZKVFDHOOMOJPR-OLZOCXBDSA-N	321.377	1.272	50	20	DDGD	
N#CSCCCNC(=O)c1cc(N2CCNC2=O)ccc1F	773594406	UODGTHBUKOLEJT-UHFFFAOYSA-N	322.365	1.689	50	20	DDGD	
COCCOc1cc(C)ccc1NC(=O)NN(C)C(=O)OC	878344493	DYVGDEUZTBYGBN-UHFFFAOYSA-N	311.338	1.755	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@]1(C)CCOC1	1119033356	MPHAEGGDVBVXKA-AWEZNQCLSA-N	309.391	1.439	50	20	DDGD	
COCc1ccccc1NC(=O)NNC(=O)C1CCOCC1	878229981	BYGDRDVQOJSVSN-UHFFFAOYSA-N	307.350	1.412	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNc1nc2ccccc2n1C)C(C)C	879948355	XETWYRJPUKTZMV-ZDUSSCGKSA-N	318.377	1.852	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C[C@@H](C)C2CC2)nc1C	778422283	ZDTTYJYBUNZJDR-SECBINFHSA-N	306.366	1.841	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2c3c[nH]nc3CC[C@@H]2C)n1	878039028	VUPRLQWBUFUFGU-SDBXPKJASA-N	300.366	1.626	50	20	DDGD	
COC1(C(=O)NC[C@]2(C)C[C@H]2Br)CCNCC1	1118755373	YHIVMFYHKCRQIQ-KOLCDFICSA-N	305.216	1.045	50	20	DDGD	
O=C(C[C@H]1CCc2ccccc2C1)NNC(=O)c1cccnn1	882060636	UDIVNLSDKFHZOF-LBPRGKRZSA-N	310.357	1.433	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)[C@@H]1CCc2nnnn2CC1	885141341	BWPPTBVKUYFAKF-MRVPVSSYSA-N	308.292	1.047	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2cc(Cl)ccc2Cl)C1=O	773460376	XNTORCVAEAJQTQ-QMMMGPOBSA-N	302.161	1.915	50	20	DDGD	
O=S(=O)(CCCCl)N1CCC[C@@H]1[C@@H](O)C(F)(F)F	881918431	AKWXCACLJOHUEV-HTQZYQBOSA-N	309.737	1.333	50	20	DDGD	
COc1c(C)cc(C(=O)NNc2ccnc(N(C)C)n2)cc1C	774316014	SUVXPQPETLASMW-UHFFFAOYSA-N	315.377	1.925	50	20	DDGD	
CCC1CCC(CNC(=O)NNC(=O)c2cccnn2)CC1	883213177	ZIUHFXWZBCCGSQ-UHFFFAOYSA-N	305.382	1.637	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNC(=O)C2CCOCC2)cc1	883061493	WIUKAROYSQNMSP-DAXSKMNVSA-N	304.346	1.282	50	20	DDGD	
CN(NC(=O)C(=O)Nc1cnc(C2CC2)nc1)c1ccccc1	783432417	XRMITTJBROLUKJ-UHFFFAOYSA-N	311.345	1.460	50	20	DDGD	
Cn1nccc1[C@@H]1CCCCN1S(=O)(=O)CCCCl	882154483	QFNNAQJXDRVWDX-LBPRGKRZSA-N	305.831	1.906	50	20	DDGD	
O=C(NNc1cccc(F)c1)C(=O)Nc1ccc2c(c1)OCO2	783035909	IQOUWBWHVOJWPX-UHFFFAOYSA-N	317.276	1.636	50	20	DDGD	
C[C@H](OC[C@H]1CCCO1)C(=O)NNc1cc(F)ccc1F	885144617	HCLUVTBUQOSMSF-GXSJLCMTSA-N	300.305	1.992	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CCc1ccc(O)nc1	787586385	NKGHDAPVIXTSSQ-UHFFFAOYSA-N	301.350	1.777	50	20	DDGD	
COCCN(CCN(C)C)C(=O)[C@H](Br)C(C)(C)C	781083428	DZVWEKTUAKHTFM-NSHDSACASA-N	323.275	1.833	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1CNC(=O)NNC(=O)C1CCOCC1	883672623	LDRMJDWHICCVSL-OCCSQVGLSA-N	311.426	1.960	50	20	DDGD	
CC(C)(C(=O)NNc1c(F)cc(F)cc1F)N1CCOCC1	885151884	PSKXJADQYICUPO-UHFFFAOYSA-N	317.311	1.658	50	20	DDGD	
CCOCCNC(=O)COC(=O)/C(C#N)=C\c1ccccc1	785361802	JJMAIKGKEFUSQE-UVTDQMKNSA-N	302.330	1.289	50	20	DDGD	
Cc1nn(C)c(NC(=O)C(=O)NNc2ncccc2Cl)c1C	784816821	BXJDRSJLPBZWSP-UHFFFAOYSA-N	322.756	1.167	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc(OCCOC)c1	785840326	WMVDGDFRXSAISY-UHFFFAOYSA-N	310.354	1.410	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(Cl)c(OC)c1	788762245	UPZFOPWQEWEWKM-UHFFFAOYSA-N	301.730	1.538	50	20	DDGD	
C[C@H]1CN(CC(C)(C)O)CCN1C[C@@H](C)CBr	781941887	VVILSPJQXBSNEY-RYUDHWBXSA-N	307.276	1.794	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NCC(C)(C)C#N)cc1	781953422	GWDOOCXOKIVMED-UHFFFAOYSA-N	318.377	1.508	50	20	DDGD	
CN(C)[C@H]1CCCC(=NNC(=O)[C@H]2COc3ccccc3O2)C1	788408663	VMMAWWBBCIIDGS-XJKSGUPXSA-N	317.389	1.803	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=O)NC2CCCCC2)C1	899940229	HRDHBPYCYXYFMZ-MFKMUULPSA-N	319.409	1.739	50	20	DDGD	
CNC(=O)[C@H]1CCCCN1C(=O)[C@H](Br)C(C)(C)C	781098493	UARJKZXDAWMPJT-ZJUUUORDSA-N	319.243	1.923	50	20	DDGD	
COc1cc(C=O)ccc1OS(=O)(=O)CBr	782393728	KOCVSNXIRDUMSZ-UHFFFAOYSA-N	309.137	1.569	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cn2cc(Cl)cc(Cl)c2n1	799591302	HFLGCZOMWGGKHN-UHFFFAOYSA-N	316.148	1.557	50	20	DDGD	
C[C@H]1CCCN1CCNC(=O)NNc1cccc([N+](=O)[O-])c1	897473866	HEHQGYOAPIEVLF-NSHDSACASA-N	307.354	1.705	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCO2)C(C)(C)n1cncn1	794457500	YCRYQHBKCMTWOK-UHFFFAOYSA-N	315.333	1.548	50	20	DDGD	
C=C1CCC(C(=O)NNC(=O)c2ccc3c(c2)OCO3)CC1	895461972	FUFNFWQYPIVSKY-UHFFFAOYSA-N	302.330	1.923	50	20	DDGD	
COC(=O)c1occc1C=NNC(=O)CCN1CCCCCC1	794768190	FQDRJUXKJFXLDT-UHFFFAOYSA-N	321.377	1.782	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](F)CC1CCCCC1	796204799	FAXWDSUYILMLCC-PWSUYJOCSA-N	316.373	1.784	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cnc(C2CC2)s1	791255430	CFUANLYNJSZLIY-UHFFFAOYSA-N	300.347	1.820	50	20	DDGD	
COC1(C(=O)NNC(=O)c2cc(C)nc3ccccc23)CCC1	799010360	YRDIGBIGTSTHDM-UHFFFAOYSA-N	313.357	1.873	50	20	DDGD	
CC(C)(C)C(=O)NN=C1CCCc2c1cnn2-c1ncccn1	792972848	JQFDOGVUQOUHGJ-UHFFFAOYSA-N	312.377	1.865	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C=NNC(=O)NCC2CC2)C1	792988636	YFOWTHBTOQRANJ-LRDDRELGSA-N	322.409	1.938	50	20	DDGD	
C[C@H]1COCCC1=NNC(=O)c1nnc(-c2ccccc2)o1	794496245	FIXSRSMFOOFTIK-JTQLQIEISA-N	300.318	1.879	50	20	DDGD	
C=C(CBr)COC(=O)Cn1ccc(C)cc1=O	795629245	ITEWOOCDDMJPMK-UHFFFAOYSA-N	300.152	1.651	50	20	DDGD	
C[C@H]1[C@H](C)CCC[C@H]1CNC(=O)NNC(=O)C(=O)N1CCCC1	797543333	WGQIVESXHIWNTK-AGIUHOORSA-N	324.425	1.012	50	20	DDGD	
N#CC[C@H](CC(=O)NNC(=O)c1cccnc1)c1ccccc1	792775563	AVITUMSVQGNCQX-CQSZACIVSA-N	308.341	1.930	50	20	DDGD	
C[S@](=O)c1ccc(C=NNC(=O)NCC(F)(F)F)cc1	1318932873	FXCJDEMHUKUCPF-FQEVSTJZSA-N	307.297	1.619	50	20	DDGD	
Cc1cc(NNC(=O)c2coc(C3CCOCC3)n2)ncn1	1321426553	JRBWFXPSOWJFKJ-UHFFFAOYSA-N	303.322	1.424	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(C(C)(C)C)nn1)c1ncnn1C	1324469030	ZKQDLWWKTHAGTB-SECBINFHSA-N	318.385	1.290	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc2c(cc1Cl)NC(=O)C2	1320412306	CJTJKKGGAQRHSM-UHFFFAOYSA-N	310.741	1.141	50	20	DDGD	
C=CCc1cc(C(=O)NNc2ccn(C)n2)cc(OC)c1OC	1320950056	WXOMBBRAWLCGPC-UHFFFAOYSA-N	316.361	1.923	50	20	DDGD	
CCn1cc(CNC(=O)NNC(=O)c2ccccc2Cl)cn1	1323386204	HQMRVMJUXALKJY-UHFFFAOYSA-N	321.768	1.701	50	20	DDGD	
C[C@]1(CO)CCCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)C1	1322236227	DIIQMTKJUIYMCJ-ZGUWOUCSSA-N	300.358	1.920	50	20	DDGD	
Cc1cnn(CC(=O)NNc2cncc(Br)c2)c1	1253718462	KRZVTEZQONXGSJ-UHFFFAOYSA-N	310.155	1.492	50	20	DDGD	
C[C@@H]1COCC[C@H]1CNC(=O)NNc1nncc(N)c1Cl	1258353372	FMSLEAJQWBGUAB-SFYZADRCSA-N	314.777	1.011	50	20	DDGD	
CS[C@@H]1CCC[C@H](NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)C1	1332089347	LZAAKUJZRRLLRQ-KXNHARMFSA-N	315.439	1.416	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1ccsc1[N+](=O)[O-]	1261374176	BCEUUVKESGSGFI-UHFFFAOYSA-N	307.353	1.012	50	20	DDGD	
C[C@H](NNC(=O)[C@H]1CC(=O)N(C)c2ccccc21)C(F)(F)F	1348382551	BHIYRWXMXVXZMU-WPRPVWTQSA-N	315.295	1.708	50	20	DDGD	
O=C(CCc1ncccn1)NNc1cncc(Br)c1	1347485799	URGCCVDZTVBKLH-UHFFFAOYSA-N	322.166	1.710	50	20	DDGD	
CCn1cc(C(=O)C(=O)NNc2ccc(C(C)(C)C)nn2)cn1	1341227267	HLVRRAUHEQVDPW-UHFFFAOYSA-N	316.365	1.317	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1c(C)[nH]c2ccc(OC)cc12	1344524126	NDMXOIBBKZNBNN-UHFFFAOYSA-N	318.402	1.780	50	20	DDGD	
O=C(NCCN1CCc2ccccc21)NNC(=O)C1CCCC1	1263143368	CUHJLZPNVWKFIB-UHFFFAOYSA-N	316.405	1.570	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2cnn3c2NCCC3)c1	1350111939	SXWCYRPLZRXCPS-UHFFFAOYSA-N	305.363	1.143	50	20	DDGD	
Cc1cccc(NNC(=O)c2ccc(-c3nn[nH]n3)c(C)n2)c1	1609433235	RJEZASPMDOVYNL-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
CC(C)c1ccc(NNC(=O)Cn2cc(C(=O)O)nn2)cc1	1604002667	JSOIRUBVRGXBRC-UHFFFAOYSA-N	303.322	1.243	50	20	DDGD	
CC(=NNC(=O)N=c1cc[nH]cc1)c1ccc(-c2nn[nH]n2)cc1	1602906165	GDSNUKLWRZFKQX-UHFFFAOYSA-N	322.332	1.229	50	20	DDGD	
O=C(NC[C@H]1CCSC1)NNc1ccc(F)c(C(=O)O)c1	1601486720	QNHXMNOKHTUFTD-MRVPVSSYSA-N	313.354	1.903	50	20	DDGD	
O=C(O)[C@@H]1CCCC[C@H]1S(=O)(=O)NCC(Cl)Cl	1601813257	XFAPGIOQAOBNTI-RNFRBKRXSA-N	304.195	1.353	50	20	DDGD	
C[C@H](O)c1ncc(C(=O)NNc2ncccc2C(=O)O)s1	1603269157	UPMWVHPVODDUQK-LURJTMIESA-N	308.319	1.047	50	20	DDGD	
Cc1cc(C(=O)O)c2c(O)nc(SC/C=C\C#N)nc2n1	1600106302	KGMSEQMPOLDWHH-IHWYPQMZSA-N	302.315	1.909	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(C(=O)O)c(OC)c1	1604918981	OCBSPSNSFCICKR-MRVPVSSYSA-N	309.322	1.592	50	20	DDGD	
NC[C@H]1CC[C@@H](NC(=O)NNc2ccc(C(=O)O)c(F)c2)C1	1601184258	ISWUTALKJYQXRQ-DTWKUNHWSA-N	310.329	1.277	50	20	DDGD	
O=C(O)CCC[C@@H]1CCCC(=NNC(=O)Cc2cc[nH]n2)C1	1601981025	WSYKTTPSGPJFMO-NSHDSACASA-N	306.366	1.870	50	20	DDGD	
O=C(O)C1CCN(S(=O)(=O)c2ccc(CCl)cc2)CC1	1601830407	COCLAAYPKWOWDG-UHFFFAOYSA-N	317.794	1.911	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H](C(=O)O)C(C)(C)C	1604401991	SFZOOVNZCQQUTF-NSHDSACASA-N	308.334	1.663	50	20	DDGD	
O=C(CNc1ccccc1F)NN=Cc1cc(C(=O)O)co1	1601329726	MBSDQNIAHLXGGV-UHFFFAOYSA-N	305.265	1.679	50	20	DDGD	
C=C[C@H](NNC(=O)c1ccc(OC(C)C)c(OC)c1)C(=O)O	1602819594	ZNAZPZVBYGMPPK-NSHDSACASA-N	308.334	1.356	50	20	DDGD	
O=C(O)[C@H]1C[C@@H](C(=O)NNc2cc(Cl)ccc2[N+](=O)[O-])C1	1608821677	CETZLVHVTVGKEF-KNVOCYPGSA-N	313.697	1.802	50	20	DDGD	
O=C(O)CCCCCNC(=O)NNc1ncncc1Cl	1611430240	WLAXGSYDHYGECA-UHFFFAOYSA-N	301.734	1.401	50	20	DDGD	
Cn1cc(C(=O)NN=C[C@@H]2CCCO[C@@H]2c2ccnn2C)cn1	1552449987	RXFVPMUZQSTKMQ-FZMZJTMJSA-N	316.365	1.037	50	20	DDGD	
C[C@@H]1CCN[C@@H](C(=O)NN=c2sc3ccccc3n2C)C1	1576746385	ZPSMRSCPFHPKNE-GHMZBOCLSA-N	304.419	1.560	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)C[C@@H](N)CC(C)C	1579872375	GDOUFKSJSRDFPY-LBPRGKRZSA-N	317.393	1.167	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)C2=CCNCC2)cc1	1578183405	PNSXXNLHLRTFAY-UHFFFAOYSA-N	320.418	1.323	50	20	DDGD	
O=C(NNC(=O)[C@@H]1NCC[C@H]2CCCC[C@H]21)NC1CCCCC1	1580735723	DMKGRXNQPDZKRG-BPLDGKMQSA-N	322.453	1.818	50	20	DDGD	
N[C@@H](C(=O)NNC(=O)Cc1ccc(F)cc1)C1CCCCCC1	1580115216	PCNLTQUXBCJMEN-MRXNPFEDSA-N	321.396	1.813	50	20	DDGD	
O=C(/C=C/[C@@H]1CCCNC1)NNC(=O)c1cccc2ncccc12	1580495254	YKXUZZGUWPZVCA-XEHSLEBBSA-N	324.384	1.552	50	20	DDGD	
CCOCC(=O)N1CCCC12CN(C(=O)C(Cl)Cl)C2	1842694497	AMRSCFXRFCHKSO-UHFFFAOYSA-N	309.193	1.030	50	20	DDGD	
CO[C@@](C)(C(=O)O)C(=O)NNc1cc(Cl)nc(Cl)c1	1593926238	FANORKJPCYQJAX-SNVBAGLBSA-N	308.121	1.321	50	20	DDGD	
O=C(CC1CC1)NN=Cc1ccc(F)c(-c2nn[nH]n2)c1Cl	1592813471	IQRWZWWYYMTRCQ-UHFFFAOYSA-N	322.731	1.909	50	20	DDGD	
CCCN1CCC[C@H](C(=O)NNc2cccc(C(=O)O)c2)C1	1595908346	RLWHUAPDAZMHOV-ZDUSSCGKSA-N	305.378	1.950	50	20	DDGD	
COCCN(CC(C)C)NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1CC2	1599234948	NZJVBJCTDHLKNN-XQLPTFJDSA-N	324.421	1.535	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1Cc2ccc(-c3nn[nH]n3)cc2C1	1590796810	CZOICJONOGEZTI-UKTHLTGXSA-N	310.317	1.153	50	20	DDGD	
COc1ccc(CCC(=O)NNc2cccc(C(=O)O)c2)cn1	1599552332	AVCJJMBSNDXWSC-UHFFFAOYSA-N	315.329	1.864	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccccc2C(=O)O)nc1	1594373294	OBJYDYGYUGJMSX-UHFFFAOYSA-N	314.301	1.170	50	20	DDGD	
O=C(NC[C@@H](C(=O)O)C1CCC1)NNc1ccc(Cl)cn1	1594737675	WYRFHYFURKIDLY-SNVBAGLBSA-N	312.757	1.862	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@@]1(C(=O)O)CC=CCC1	1594711130	KJBNCQMDGBHOQM-MRXNPFEDSA-N	320.320	1.327	50	20	DDGD	
COc1cc(NNC(=O)c2cc(C(=O)O)no2)ccc1Cl	1599444800	ADLURFQBUQAOPU-UHFFFAOYSA-N	311.681	1.792	50	20	DDGD	
COCCCS(=O)(=O)/C(C#N)=C\c1ccc(C(=O)O)cc1	1777207204	ZGDCTJDDOFZOOO-LCYFTJDESA-N	309.343	1.701	50	20	DDGD	
CC(C)(C)[C@@H]1OCC[C@H]1C(=O)NN=Cc1ccc(C(=O)O)[nH]1	1776107357	WKQBVNDBOHFIDE-ZYHUDNBSSA-N	307.350	1.614	50	20	DDGD	
O=C(O)c1c(F)cccc1C=NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	1776091092	TUARGZSFASCZBQ-CKYFFXLPSA-N	306.293	1.542	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)CC(C)C)cc1[N+](=O)[O-]	15562707	GDSVWAJLCHVTCV-UHFFFAOYSA-N	315.351	1.259	50	20	DDGD	
C[C@H]1CCCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	16446132	GLSHGXOEMPPHGO-NSHDSACASA-N	320.349	1.088	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)[C@@H]1CCCO1	160523239	LLTFEKVMGNLTAN-UMNHJUIQSA-N	310.300	1.395	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1cccc(-n2cnnn2)c1	160905237	MQFNSMWMWUQVBR-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[nH]n1	153166355	GQDBREFVYGZQLY-QPJJXVBHSA-N	315.289	1.101	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCCc2ccc(C)s2)[nH]n1	153203803	VFKQEEDZDWAFCJ-UHFFFAOYSA-N	306.391	1.872	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@H](C)OCC2CC2)n1	155921291	PUPBZWXGHIQMSC-NSHDSACASA-N	307.398	1.581	50	20	DDGD	
C[C@](O)(CNS(=O)(=O)CCCCCl)c1ccccc1	154343875	DQYBBGQSPIIEIW-ZDUSSCGKSA-N	305.827	1.833	50	20	DDGD	
CCCCC[C@@H](C(=O)NNc1ccc(C(N)=O)nn1)C(C)C	154404768	RAARPCXUZWKPTN-LLVKDONJSA-N	307.398	1.871	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccnc(-n3cccn3)c2)n1	159269262	LPCSUABLONNHFG-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@@H]1CCCC12OCCO2	889506306	LJSZFZSYSMHXKQ-SECBINFHSA-N	301.343	1.021	50	20	DDGD	
CC(C)[C@H](C(=O)N(C)NC(=O)OCc1ccccc1)N(C)C	862287927	ZQSVFSZJAUUSLP-CQSZACIVSA-N	307.394	1.872	50	20	DDGD	
COc1ccc(OC)c(S(=O)(=O)NNC(=O)CC(C)C)c1	7386772	GANHVROKFPJXLM-UHFFFAOYSA-N	316.379	1.059	50	20	DDGD	
CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NNC(=O)C(C)(C)C	104269300	DYKSOHKIEGUPST-AWEZNQCLSA-N	317.389	1.153	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cc(Br)c[nH]1)C1CC1	55970727	COBUVQLMCGBIOZ-LURJTMIESA-N	315.171	1.520	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	55617641	SITIWPXSOISEJT-MRVPVSSYSA-N	315.351	1.259	50	20	DDGD	
O=C(CCc1ccco1)NNC(=O)c1ccc2c(c1)OCCO2	53723165	HWJCDFUVCGSUEW-UHFFFAOYSA-N	316.313	1.445	50	20	DDGD	
O=C(NNc1cnccn1)C(O)(c1ccccc1)c1ccccc1	114880526	IRZZWSJQMRBFLX-UHFFFAOYSA-N	320.352	1.856	50	20	DDGD	
Cc1noc(C)c1CNC(=O)NNC(=O)Cc1ccc(F)cc1	67759871	LYSRJDNSYNIIQI-UHFFFAOYSA-N	320.324	1.504	50	20	DDGD	
CC(=O)NNC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1O	174983112	KXIUJKAWVUBXKR-UHFFFAOYSA-N	302.334	1.482	50	20	DDGD	
Cc1ccccc1OCCC(=O)NNC(=O)NCc1ccco1	65177742	AFKNXDPVHROHAZ-UHFFFAOYSA-N	317.345	1.888	50	20	DDGD	
O=C(COc1cccc(Br)c1)NNc1cccnn1	172371939	VEGFKCBFWDENOU-UHFFFAOYSA-N	323.150	1.761	50	20	DDGD	
CN(C)c1nc2sc(C(=O)NNc3cnccn3)cc2s1	172263908	XFQRWZSVPGTUIV-UHFFFAOYSA-N	320.403	1.971	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCn1cc(C)cn1)c1ccccc1	110337886	OROBHMZZQDSJNM-HNNXBMFYSA-N	314.389	1.923	50	20	DDGD	
CCOC(=O)NCC(=O)NNc1cccc(C(F)(F)F)n1	172410823	XXJKTYJAIBOBDM-UHFFFAOYSA-N	306.244	1.290	50	20	DDGD	
Cc1cccc(C2(C(=O)Nc3cccc(B(O)O)c3)CCC2)c1	404973656	UKBRLWHYKPVOFJ-UHFFFAOYSA-N	309.174	1.735	50	20	DDGD	
CC(C)CCO[C@H](C)C(=O)NNC(=O)Cc1ccccc1F	66774707	QSXDYNIFPIIMCC-GFCCVEGCSA-N	310.369	1.967	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cc(Cl)cn1C)C1CC1	171168772	HPZGTNQXUJDBSU-SSDOTTSWSA-N	300.815	1.586	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNc2ncc(F)cn2)cc1	123413667	YSKBEVLDDUUQKU-SNVBAGLBSA-N	304.325	1.946	50	20	DDGD	
CN(C)C(=O)c1ccc(CNC(=O)NNc2ccccn2)cc1	122259112	HQGDBYOUYYPEIX-UHFFFAOYSA-N	313.361	1.610	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@H]1CCCO1	32258304	CCDXSRNNHXUZFG-JOYOIKCWSA-N	312.753	1.434	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1cccc(C#N)c1)[C@@H]1CCCO1	124419717	UHMGHELHBCHKIM-KBPBESRZSA-N	316.361	1.460	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)/C=C/c2scnc2C)nc1	189046375	PMZSPYTWOYJIAK-GQCTYLIASA-N	318.358	1.790	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(CC(=O)NNc2ccnc(F)c2)C1	182524988	ZUZIAVDFXLXBLX-UHFFFAOYSA-N	324.356	1.921	50	20	DDGD	
CC[C@@H](C)[C@H](C)C(=O)NNC(=O)Cc1cn2ccccc2n1	180344940	BQFFFIQEDARGPU-NEPJUHHUSA-N	302.378	1.706	50	20	DDGD	
CCCC(=O)N1CCC[C@H]1C(=O)NNc1nnc(C2CC2)s1	184488412	ZRLUWHMGJVXFOJ-JTQLQIEISA-N	323.422	1.650	50	20	DDGD	
O=C(/C=C/c1ccc(O)cc1)NNc1nc(-c2ccncc2)no1	183538124	FQCCRFBQBKKZIS-ZZXKWVIFSA-N	323.312	1.994	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@H]1CCCN(CC(F)(F)F)C1	182460273	JUYMLYUHKUDDJJ-VIFPVBQESA-N	320.290	1.938	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccc(C#N)c(C)n2)cc1	76949507	FKXMLBIEQGSIAF-UHFFFAOYSA-N	323.356	1.443	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NC[C@@](C)(C(=O)OC)c1ccccc1	188566384	DUUKOHSKCPJRKR-MLFXKNMZSA-N	316.357	1.677	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)NC[C@@H]2C[C@@H]2C)cc1	47099122	CUZJZMBYFFKFKM-QWRGUYRKSA-N	307.350	1.060	50	20	DDGD	
Cc1ccc(CCC(=O)NNC(=O)N2CCOCC2)c(C)c1	194899828	HLINYIPLGULDCC-UHFFFAOYSA-N	305.378	1.309	50	20	DDGD	
Cc1ccc(C)c(-c2cc(C(=O)NNC=C(C#N)C#N)[nH]n2)c1	130256403	GZKPPWCNSRBQDZ-UHFFFAOYSA-N	306.329	1.859	50	20	DDGD	
CC(C)c1ncc(C(=O)NNC(=O)Cc2cccnc2)s1	132760104	ZBTFRCSMPCTWPP-UHFFFAOYSA-N	304.375	1.665	50	20	DDGD	
N#C/C(=C\c1cn(CC(=O)O)nn1)C(=O)c1cc(F)cc(F)c1	193165596	XTNHNAYVFLAUSM-YCRREMRBSA-N	318.239	1.431	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NO[C@H]2CCCCO2)cc(C#N)n1C	195459535	WXSOWVLGTMAUDW-COSNYCCFSA-N	314.345	1.687	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCCc2ccc(O)cc2)o1	84440525	NBACFBGXQTYYNL-UHFFFAOYSA-N	317.345	1.870	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2cc(C)ccc2O)c1	198149492	ZFVKQPQIYXQYNM-UHFFFAOYSA-N	314.341	1.849	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CSCC(F)(F)F)c1	90398382	SYZJQGJXXDPYMO-UHFFFAOYSA-N	317.292	1.615	50	20	DDGD	
CC(C)(CNC(=O)NNc1cccnn1)NC(=O)OC(C)(C)C	266758441	SDSLBBAIOGJMEO-UHFFFAOYSA-N	324.385	1.406	50	20	DDGD	
COCCC1(CNC(=O)NNc2nc(C)cc(OC)n2)CC1	269019768	DSAZMUSXLIVXJD-UHFFFAOYSA-N	309.370	1.236	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)N[C@@H]1C[C@@H]1Cc1ccccc1	266976060	JCFLGPYNVXHLFL-JKSUJKDBSA-N	324.384	1.586	50	20	DDGD	
CSCCCNC(=O)NNC(=O)COc1ccccc1F	265591982	UJRAMFBKYHFQQJ-UHFFFAOYSA-N	315.370	1.288	50	20	DDGD	
C[C@H](O)C[C@H](CNC(=O)NNC(=O)C1CCC1)c1ccccc1	268313589	IEDWCRMNYXILPG-SWLSCSKDSA-N	319.405	1.672	50	20	DDGD	
CCCCC(=O)N1CSC[C@@H]1C(=O)NNc1ncccn1	263922863	DCAMGJDVHOFCMP-SNVBAGLBSA-N	309.395	1.011	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)c[nH]1	264675013	JYXVKCXACQFKJD-NSHDSACASA-N	316.361	1.563	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCC(=O)c1cc(C)ccc1C	271362431	NQLNVMHVSMGTAT-UHFFFAOYSA-N	305.378	1.959	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(CNC(C)=O)cc1	275991418	FFRZYRRBSSPZEQ-UHFFFAOYSA-N	307.354	1.021	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)c1)NO[C@H]1CCCCO1	275116802	MHZPNQKVZPVVIZ-NSHDSACASA-N	313.741	1.742	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1C(=O)NNC(=O)COc1cccc(C)c1	278880681	WHCZITITWNNABG-GDBMZVCRSA-N	318.373	1.502	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCCNc1ccccn1	276703465	OBLPQLWABZQXPE-UHFFFAOYSA-N	300.366	1.913	50	20	DDGD	
CN1C[C@H](C(=O)NNc2ncccc2F)c2ccccc2C1=O	375950974	LJBOYMSVAUUCPQ-LBPRGKRZSA-N	314.320	1.533	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2CCCc3nn(C)cc32)n1	375623743	IALALGMMTMNNGM-SNVBAGLBSA-N	301.350	1.387	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNC(=O)COc1cccc(C)c1	289093004	LKRQJUHPUMMZDR-LBPRGKRZSA-N	322.361	1.111	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2[C@H]3CCC[C@H]23)cc1C	281345546	VCIKEMVXWONHBT-STQMWFEESA-N	315.373	1.435	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNc1ncccc1F)c1nncn1C	287093381	VZSJWTVIAVPFRR-SNVBAGLBSA-N	307.333	1.373	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H]2CCn3c(cnc3C)C2)n1	289303979	AJXHGLQIZGACPG-LBPRGKRZSA-N	300.366	1.304	50	20	DDGD	
CSSCCNC(=O)CNC(=O)c1cccc(O)c1	285772502	RXAIPUHUONKQEA-UHFFFAOYSA-N	300.405	1.249	50	20	DDGD	
CO[C@@H](C)CCC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802100209	VUWADXMBPMIAKS-VIFPVBQESA-N	309.322	1.383	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1nc([C@@H](C)OC)ns1	809926524	YNALDLACVDYPCC-NKWVEPMBSA-N	301.372	1.444	50	20	DDGD	
CS[C@H](C(=O)NNC(=O)N=c1cc[nH]cc1)c1ccccc1	802029122	MMYGJTXBXFVNLP-ZDUSSCGKSA-N	316.386	1.761	50	20	DDGD	
N#C/C=C/CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O	298425910	WUSMFSGDJCVLKL-BDUNBXCCSA-N	310.357	1.263	50	20	DDGD	
O=C(NCC1CC1)NNS(=O)(=O)c1cnc2ccccc2c1	800834057	OKFPPMYJXSNEOQ-UHFFFAOYSA-N	320.374	1.137	50	20	DDGD	
COCCCNC(=O)NNC(=O)C1(c2ccccc2OC)CC1	299516301	OJBQVDCUWXBDNB-UHFFFAOYSA-N	321.377	1.094	50	20	DDGD	
COCCOc1ccc(CC(=O)NNc2ncncc2F)cc1	294082352	QVYCFBPRQQMILG-UHFFFAOYSA-N	320.324	1.327	50	20	DDGD	
Cn1cncc1C(=O)NNC(=O)c1cccc(OC(F)F)c1	809664083	ADNZLRYKOZXAGP-UHFFFAOYSA-N	310.260	1.096	50	20	DDGD	
O=C(NCCc1ccc([N+](=O)[O-])cc1)NNc1cccc(F)n1	804976958	KYJLJQAPJXXLIP-UHFFFAOYSA-N	319.296	1.998	50	20	DDGD	
CCc1nnc(CNC(=O)NNc2cccc(Cl)n2)s1	293332253	KOVCETDRUYMJFC-UHFFFAOYSA-N	312.786	1.975	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](C)c2c(F)cncc2F)nn1	805861079	FQKJWHDJCFDNEV-MRVPVSSYSA-N	308.292	1.846	50	20	DDGD	
CC[C@H]1CCC[C@H]1C(=O)NNC(=O)COc1ccc(C#N)cc1	294280424	HJXNJLXFPJLFAX-DZGCQCFKSA-N	315.373	1.911	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNc1ccc2c(=O)[nH]ccc2c1	803432376	PFCIVMBWSUNNGQ-UHFFFAOYSA-N	312.329	1.819	50	20	DDGD	
O=C(NNC(=O)[C@@H](F)C(F)(F)F)c1cc2c(s1)CCC2	809982947	AMZQXCYRMMNCJV-MRVPVSSYSA-N	310.272	1.898	50	20	DDGD	
N#CCCCCCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	805155784	SYDBOPBZLNZTMF-UHFFFAOYSA-N	304.306	1.830	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C2CC2)cc1C	291425882	IPMKZINWUBRAJK-UHFFFAOYSA-N	317.389	1.826	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)c1cnn(CCF)c1	806342464	KRCUBKIMKGQZBZ-UHFFFAOYSA-N	322.365	1.478	50	20	DDGD	
Cn1cc(C(=O)NNc2cc(C(F)(F)F)ccc2F)nn1	809734156	AKPUROGWKQHEBR-UHFFFAOYSA-N	303.219	1.730	50	20	DDGD	
COC(=O)[C@@H]1[C@H]2CN(C(=O)[C@H](Br)C(C)(C)C)C[C@H]21	816967386	IMEQONLWGIBKOE-JLIMGVALSA-N	318.211	1.673	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1cc[nH]n1	814856453	HPBMQVFDIFIAOZ-UHFFFAOYSA-N	321.362	1.359	50	20	DDGD	
CSCc1cccnc1C(=O)NNC(=O)Cc1ccncc1	810468449	QFEGVCDRBWQOTM-UHFFFAOYSA-N	316.386	1.343	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@H]1CCN(c2ccccc2F)C1	810777080	VFLJMKCUICRWCT-JTQLQIEISA-N	319.315	1.724	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)c1ccc(C(N)=O)s1	816338201	ZSPCLVVNYYXJPC-UHFFFAOYSA-N	309.322	1.752	50	20	DDGD	
CCNC(=O)NN=C(C)c1cccc(OCCCC(=O)O)c1	814817330	IGUNBNMGQMSUGF-UHFFFAOYSA-N	307.350	1.973	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1O	812478210	PTEFUFDIHSGLPP-IUCAKERBSA-N	314.769	1.725	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)Cc1ccncc1	819715346	AXQKKTXFNYUXDU-UHFFFAOYSA-N	303.293	1.693	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)COc2ccccc2F)n1C	811630183	BRAPDADOUUOYQB-UHFFFAOYSA-N	319.340	1.154	50	20	DDGD	
COc1ccc(F)cc1C=NNC(=O)c1sc(N)nc1C	812224290	JFIFTTVRSUABED-UHFFFAOYSA-N	308.338	1.945	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCOc3c(Cl)cccc32)CC1	814912790	AVYPPHRYUCTLJI-UHFFFAOYSA-N	322.796	1.784	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)NCC(F)(F)F)c1	726471851	GALQJPNVXYKZSR-UHFFFAOYSA-N	316.308	1.731	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)C1CCCC1)NC(=O)C1CCCC1	727102241	KHLQAYLYFOKYEC-LLVKDONJSA-N	309.410	1.409	50	20	DDGD	
CCCNC(=O)/C(C#N)=C\c1ccc(OCC(=O)OC)cc1	490878577	OPUGHTZMRLXGQG-LCYFTJDESA-N	302.330	1.672	50	20	DDGD	
Cc1cc(CC(=O)NN=CCCNC(=O)OC(C)(C)C)n[nH]1	493873479	NGDXBNFEBRJWKB-UHFFFAOYSA-N	309.370	1.277	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)CC(=O)NC)cc1	491048945	MAWSFXYGMUBUSJ-LQELWAHVSA-N	315.373	1.633	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C\c1cc(-c2nn[nH]n2)cs1	820092526	NECUDLVZVHGVQY-OQFOIZHKSA-N	302.363	1.607	50	20	DDGD	
CC1(CCC(=O)NNC(=O)CCCNC(=O)C(C)(C)C)CC1	825347811	TZASYDIYJGUHDJ-UHFFFAOYSA-N	311.426	1.657	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@H]1COc2ccccc21	826447917	BDBZNQAQACWLJG-ZDUSSCGKSA-N	322.328	1.486	50	20	DDGD	
Cc1cc(C(=O)NN=C2CCN(C(=O)OC(C)(C)C)CC2)n[nH]1	493339233	VGPFBIKQUXVPDC-UHFFFAOYSA-N	321.381	1.835	50	20	DDGD	
CCOC(=O)Nc1ccc(C(=O)NNc2ncncc2F)cc1	496148322	CHYBBNKSYBQZQE-UHFFFAOYSA-N	319.296	1.941	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc2c(c1)C[C@@H](C)O2	826753223	BAODPBLJJLDCDO-MRVPVSSYSA-N	300.318	1.116	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)c1cnc2n1CCC2	824702869	SYJKGMIQPABTMN-UHFFFAOYSA-N	314.345	1.059	50	20	DDGD	
CCOC(=O)CCCS(=O)(=O)NN(C)C(=O)OC(C)(C)C	496494492	HAKVQSOOYHRPSU-UHFFFAOYSA-N	324.399	1.031	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccc(OCCCOC)c1	494472926	TWEFXKNJJIBRIM-UHFFFAOYSA-N	311.338	1.885	50	20	DDGD	
Cc1ccc(CN(C(=O)c2cccc(B(O)O)c2)C(C)C)o1	584932838	RZSRXNQLORPMKQ-UHFFFAOYSA-N	301.151	1.319	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCC[C@H]1C[C@H]2CC[C@H]1C2	825807380	DCVYUEZJMDAIHU-PEDHHIEDSA-N	309.410	1.568	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCO[C@H](c2ccc(F)cc2)C1	731848686	KXBFSUZDMXTVKK-FZMZJTMJSA-N	323.368	1.145	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12	826590521	QHHYJDRUXBEUCB-MBNYWOFBSA-N	312.373	1.460	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(CCN(C)C)cc2)nc(N)n1	828371112	FGBSUMWIDHONFD-UHFFFAOYSA-N	314.393	1.228	50	20	DDGD	
Cc1ccc(OC(F)F)c(CNCc2cccc(B(O)O)c2)c1	585030957	MNDWWULOJRZJGU-UHFFFAOYSA-N	321.132	1.566	50	20	DDGD	
CCOc1ccccc1C(F)(F)C(=O)NN(CC)CCO	823869746	PAPICPUQINVDJC-UHFFFAOYSA-N	302.321	1.523	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccc(NC(=O)OC)c1	494506220	SETZLGKKPGAPQM-UHFFFAOYSA-N	308.363	1.160	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@H](C)C#N)c1	736666492	JAASWWGPFSWURA-GFCCVEGCSA-N	303.362	1.804	50	20	DDGD	
CSCc1cccc(CNCc2cccc(B(O)O)c2)c1	585036844	OKINUANLPXOEIT-UHFFFAOYSA-N	301.220	1.519	50	20	DDGD	
COC1CCN(CCNC(=O)[C@]2(C)C[C@@H]2Br)CC1	906931583	ZWLDTBSIIXCCFA-WCQYABFASA-N	319.243	1.387	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2cnc3n2CCOC3)c1	905422474	NZOOUMXDCBOGIJ-UHFFFAOYSA-N	314.345	1.251	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NNc1cccc(Br)n1	837210521	QSNXDDNHNNNCKQ-SFYZADRCSA-N	300.156	1.712	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NC[C@H](O)COCC1CC1	491086050	SWEOGODYLZLQGX-KAMPRCONSA-N	318.348	1.636	50	20	DDGD	
CSCC1CCN(C(=O)/C(C#N)=C\c2cnn(C)c2)CC1	834346718	XZAGNRCDGHTDEO-AUWJEWJLSA-N	304.419	1.929	50	20	DDGD	
Cc1nc(Cl)ccc1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	831753140	JHYXVVFHDMFDHB-BDAKNGLRSA-N	312.757	1.621	50	20	DDGD	
C[C@@H]1[C@H](NCc2ccc(B(O)O)cc2)CCN1Cc1ccccc1	585041440	PGNOKTRSOZSBMV-DNVCBOLYSA-N	324.233	1.119	50	20	DDGD	
Cc1oc(S(=O)(=O)NNC(=O)CCC(C)C)cc1C(=O)O	833026501	GSBLUAIUNZFUJF-UHFFFAOYSA-N	318.351	1.032	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@H]1C	834937204	JPKILMJXMUMNNM-RTXFEEFZSA-N	300.424	1.740	50	20	DDGD	
CN(CCCCNC(=O)NNc1ncc(F)cc1F)C1CC1	838734390	ROONJUBXYYQDCT-UHFFFAOYSA-N	313.352	1.860	50	20	DDGD	
C[C@H](Cc1ccc(N(C)C)cc1)NCc1cccc(B(O)O)c1	585029340	QUZWGKQPDIOPOS-CQSZACIVSA-N	312.222	1.153	50	20	DDGD	
Cc1nnc([C@@H](C)NC(=O)NNc2ncc(F)cc2F)s1	838550962	BTOMUCQAPDAFTG-RXMQYKEDSA-N	314.321	1.907	50	20	DDGD	
CC(C)CC(=O)NN=Cc1ccc(OCC(=O)O)c([N+](=O)[O-])c1	731557634	UOMUCTVQFAEWAL-UHFFFAOYSA-N	323.305	1.554	50	20	DDGD	
CC(C)c1ocnc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	731952968	HWBRYHKBDICYPC-UHFFFAOYSA-N	318.289	1.781	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@H]1CCCc2nn[nH]c21	830756659	DWNYMZJJXDBMQC-JTQLQIEISA-N	302.294	1.276	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1cccc(C#N)c1)C1CCOCC1	834955936	KBGQXCQISOCHOU-HNNXBMFYSA-N	301.346	1.715	50	20	DDGD	
CN(C)c1ccc(C=NNC(=O)c2ccnc(N(C)C)c2)cc1	731561575	MQYBIFKMAKHZHR-UHFFFAOYSA-N	311.389	1.978	50	20	DDGD	
COC(=O)[C@@H]1CN(C)CCN(/C(=C/C#N)c2ccc(F)cc2)C1	839630919	RTUGBPHSUDTBSQ-OUAKBRRNSA-N	317.364	1.727	50	20	DDGD	
O=C(/C=C\c1ccco1)NNC(=O)COc1ccccc1O	730779912	MFKVZHDANGKOID-FPLPWBNLSA-N	302.286	1.225	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)c1ccccn1)c1ccc(F)cc1	735508092	UHZMLPFETYIXKW-ZDUSSCGKSA-N	303.293	1.369	50	20	DDGD	
O=C(NCCc1nc2ccccc2[nH]1)NNC(=O)C1CCCC1	916562760	AMHULTLJHCSCDW-UHFFFAOYSA-N	315.377	1.626	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ncc(F)cc1F)N1CCCCC1	837767946	QFZLDRNEKPPDNL-JTQLQIEISA-N	313.352	1.860	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(Br)n1)c1cnn(C)c1	837211717	JDQLXLFDJQIQFD-MRVPVSSYSA-N	324.182	1.824	50	20	DDGD	
C[C@@H](C[C@@H](C)N)NC(=O)NNC(=O)CCCc1ccccc1	831202536	IGJFWBSGKSWONJ-OLZOCXBDSA-N	306.410	1.466	50	20	DDGD	
Cc1nnc(-c2cccc(C(=O)NNC(=O)c3ccncc3)c2)o1	746091893	NKADQARPVMPBTC-UHFFFAOYSA-N	323.312	1.515	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNc1ncc(Br)cn1	848322489	DFEFREIAEADHDU-JGVFFNPUSA-N	317.187	1.601	50	20	DDGD	
COC(=O)[C@@H]1CN(C(=O)NCCSSC)C[C@H]1C1CC1	845179042	AQEGWTWYUGFVQO-WDEREUQCSA-N	318.464	1.838	50	20	DDGD	
COCC[C@H](C)NC(=O)NNc1ccc(CC(=O)OC)cc1	844942208	XWWWIVAXFWMMPS-NSHDSACASA-N	309.366	1.453	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@H]1C[C@]12CCCNC2	848396939	YGTKGGCJRSVJRH-OTYXRUKQSA-N	303.391	1.524	50	20	DDGD	
CCc1c(C(=O)NN(C)C[C@@H](C)O)cnn1-c1ccc(F)cc1	910174180	RYORPBOGEUTJQE-LLVKDONJSA-N	320.368	1.531	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccccc1COC1CCOCC1	910159976	DFWNWVRQIRLMLO-CYBMUJFWSA-N	322.405	1.340	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc(-c2ccccc2Cl)on1	746001332	KLUDOAHPMNPZAR-UHFFFAOYSA-N	308.725	1.911	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cn(Cc2ccccc2)nn1	914844158	NJQRUXVVFXHMLO-UHFFFAOYSA-N	313.361	1.278	50	20	DDGD	
C=C[C@H](CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccccc1	843658061	DNQXCWZAQXNCQB-GZBFAFLISA-N	302.374	1.919	50	20	DDGD	
CCc1ccc(C#CC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	843973178	XFEKXSCBJZFLKQ-WFASDCNBSA-N	300.358	1.173	50	20	DDGD	
COC(=O)C1(C(=O)COC(=O)/C(C#N)=C/c2ccccc2)CC1	848748194	JEGHKAXGRZTUMQ-UKTHLTGXSA-N	313.309	1.659	50	20	DDGD	
Cc1nc(C)c(C(=O)NNc2nc3ccccc3c(=O)n2C)o1	746258275	NJHUPAKATAWNIR-UHFFFAOYSA-N	313.317	1.295	50	20	DDGD	
CC[C@H]1COC(C)(C)CN1C(=O)/C(C#N)=C/c1cnn(C)c1	846376215	SSCGYGIMTOJSQO-BLXFFLACSA-N	302.378	1.743	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(NCC2CC2)nc1	843971060	OKZCMBYJUCLKHW-ZWNOBZJWSA-N	318.377	1.090	50	20	DDGD	
C[C@H]1CCCc2ncc(C(=O)NNc3ncccc3[N+](=O)[O-])n21	846639837	ULMXACHIIJBKLD-VIFPVBQESA-N	316.321	1.841	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)N[C@@H](CO)CCF	846709892	WVWXUFWFPGCOLE-CYBMUJFWSA-N	311.357	1.060	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cn(C)nc1-c1cccnc1	842560285	ZCGNEIJSWAKJHT-SMDDNHRTSA-N	313.361	1.357	50	20	DDGD	
COc1ccc(NCC(=O)NN=C(C)c2cncnc2C)cc1	848400718	OCZOOHIBMXOUNI-UHFFFAOYSA-N	313.361	1.746	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)N2C(=O)CCC2=O)ccc1Cl	928342421	XCBYNLBNENGJBX-VIFPVBQESA-N	309.753	1.629	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@]2(O)CCSC2)c1C	855625944	NQJUZFHXLMQYIN-AWEZNQCLSA-N	310.375	1.093	50	20	DDGD	
COC(=O)NNC(=O)Nc1nc(-c2ccc(F)cc2)ns1	758080240	ACFXQIOVKUKBLS-UHFFFAOYSA-N	311.298	1.737	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1cccc2c1N(C)C(=O)CO2	923010043	RRPPDWWRQSARLW-NTMALXAHSA-N	301.302	1.424	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)/C=C\c1ccccc1F	854386135	KFZXUZDCHQBDEA-KHPPLWFESA-N	324.352	1.776	50	20	DDGD	
O=C(NCCO[C@@H]1CCOC1)NNc1c(F)cc(F)cc1F	927528808	WITJFBAJNNOXLH-SECBINFHSA-N	319.283	1.536	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2CCCC23OCCO3)C[C@@H]1Br	857387820	NDRDMTAPCCXEGD-JFGNBEQYSA-N	318.211	1.819	50	20	DDGD	
CCOCCn1cc(C(=O)NNc2ccc(F)cc2OC)cn1	857193669	ZHNUUJAMAUFZAV-UHFFFAOYSA-N	322.340	1.824	50	20	DDGD	
CCc1ccc(NC(=O)NNC(=O)[C@@H](C)OCCOC)cc1C	757847410	BOVXNIAXPBTAIA-GFCCVEGCSA-N	323.393	1.762	50	20	DDGD	
Cc1ncc(NC(=O)NNC(=O)c2cc(Cl)ccc2O)cn1	756371914	QILIDLBBPMOKFN-UHFFFAOYSA-N	321.724	1.611	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCC1CCN(CC2CC2)CC1	852707992	NRFRKAHFOKDAFB-UHFFFAOYSA-N	324.469	1.875	50	20	DDGD	
COc1ccccc1C(C)=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	853386825	BWJMOQKYWSZQCN-CJNGLKHVSA-N	317.389	1.399	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1cc(C(=O)O)ccc1O	757460028	MBKICNBOFVVEFJ-UHFFFAOYSA-N	300.274	1.034	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCc2cc(C)ncn2)cc1	757048604	ZQKJNLDWSVTDIC-UHFFFAOYSA-N	313.361	1.492	50	20	DDGD	
CNC(=O)NN=Cc1cc(Br)c2c(c1)OCO2	920377138	LLKKETNTKXTKBL-UHFFFAOYSA-N	300.112	1.441	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)c1ccsc1	758838155	BURFRPWXGHKTIB-SECBINFHSA-N	318.358	1.033	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1O)c1cnn(C)c1	750239455	WIPNKFYOSAUVBL-MRVPVSSYSA-N	322.752	1.344	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc(C#N)cs1	854282381	IXZUKYQEKOQRRK-UHFFFAOYSA-N	312.420	1.107	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1c[nH]c2cccnc12	854284295	DLVHBKPOLKBXST-UHFFFAOYSA-N	321.406	1.051	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1	858572143	OQEADUQSLMAFBO-VLEAKVRGSA-N	319.352	1.375	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2cnc3ncccn23)cc1	755505872	WATNYSXGOXCAEW-UHFFFAOYSA-N	308.345	1.600	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H](C)OCc1ccc(C)cc1	858783024	IIZBGJCCRLEFPK-ZDUSSCGKSA-N	323.393	1.267	50	20	DDGD	
C#CCCCC(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1	759175351	DQXAPZMZEBDYDN-UHFFFAOYSA-N	322.748	1.448	50	20	DDGD	
CC(=NNC(=O)[C@H](C)Oc1ccc(F)cc1)c1nccn1C	755563294	RDVRNPGYKJQRDO-NSHDSACASA-N	304.325	1.867	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(F)c(C(=O)NNC(=O)CC2CC2)c1F	854666613	ZCXMTTPAUFRCAI-UHFFFAOYSA-N	313.260	1.743	50	20	DDGD	
CCCC(=O)N1CCC[C@@H]1C(=O)NNc1ccnc(Cl)c1	855468688	GYDPOCYSNVYAIK-LLVKDONJSA-N	310.785	1.969	50	20	DDGD	
COC(=O)C1(CNC(=O)NC[C@]2(C)C[C@@H]2Br)CC1	856849964	UGDCTBNYYZLIEZ-KWQFWETISA-N	319.199	1.412	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1cccnc1Br	865215849	ZNJQRCZNFDXAED-FLIBITNWSA-N	324.178	1.904	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)c1	862475736	VOGVNHYSPCMBBQ-JTQLQIEISA-N	323.418	1.465	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H]2CSCN2C(=O)C(C)(C)C)n1	862523259	WHMFRLHLHUKROF-LLVKDONJSA-N	322.434	1.781	50	20	DDGD	
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NNC(=O)NCC1CC1	769731581	BMRPDSFAYXZIAR-UHFFFAOYSA-N	320.349	1.874	50	20	DDGD	
Cc1cc(=NNC(=O)c2cc3c(nc2O)CCCC3=O)cc[nH]1	862509680	QOVUSVYBFPCDAP-UHFFFAOYSA-N	312.329	1.188	50	20	DDGD	
C[C@@H](CC(F)(F)F)NC(=O)NNC(=O)Cc1ccncc1	766657058	JKFWASPSWJKFSS-QMMMGPOBSA-N	304.272	1.295	50	20	DDGD	
CN(NC(=O)[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]21)C(N)=O	867127161	LNGXLCDZNDUXFY-GARJFASQSA-N	324.178	1.377	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2cccc3c2CCCC3)n[nH]1	869017637	ONHZPJYJZJFBQR-UHFFFAOYSA-N	312.373	1.601	50	20	DDGD	
CC#CCCCC(=O)OCC(=O)NNC(=O)c1ccccc1	767667534	QBENUSYXGGNEPL-UHFFFAOYSA-N	302.330	1.184	50	20	DDGD	
O=C(NNC(=O)c1ccncc1F)Nc1cc(F)cc(F)c1	769223707	TYJULFXAPMVIGV-UHFFFAOYSA-N	310.235	1.965	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2cccc(F)c2Cl)CC1	862507220	WKQFYUSPMMSYNV-UHFFFAOYSA-N	306.746	1.499	50	20	DDGD	
Cc1nc(N2CC[C@@H](B(O)O)C2)c2cnn(-c3ccccc3)c2n1	864232682	CJYDRVSYWXQEBW-GFCCVEGCSA-N	323.165	1.177	50	20	DDGD	
CN(NC(=O)c1cccc2[nH]c(-c3cccs3)nc12)C(N)=O	760011085	UXGNGYWRAIPQHP-UHFFFAOYSA-N	315.358	1.947	50	20	DDGD	
COc1ccc(CCC(C)=NNC(=O)[C@H]2CCC(=O)N2)cc1O	863153048	LTORLYQNPJJHCI-GFCCVEGCSA-N	319.361	1.104	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@@H]1CCOC2(CCC2)C1	769194997	UEXHYUYJORFXFO-MRVPVSSYSA-N	309.288	1.371	50	20	DDGD	
COc1cc(C)ccc1C(=O)NNC(=O)Cc1cc(C)[nH]n1	869017112	ZQMJSZSSKABZIA-UHFFFAOYSA-N	302.334	1.039	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)C(=O)N2CCCC2)[C@H](C)C1	761260936	HXWOQSRVNQWFFB-VXGBXAGGSA-N	323.393	1.080	50	20	DDGD	
CSSCCNC(=O)N(C)Cc1nnc2n1CCC2	1117403268	MMGBXKRTGHGXTF-UHFFFAOYSA-N	301.441	1.377	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H]2CN(C)C[C@@H]2c2ccccc2)cc[nH]1	862515597	XHMQTBRGCSTVCN-SJORKVTESA-N	310.401	1.600	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCN(CC(F)F)C2)o1	866437022	WMEXSIMGZKSEJI-SNVBAGLBSA-N	315.320	1.326	50	20	DDGD	
C[C@@H](C[C@@H](O)c1ccccc1)NS(=O)(=O)CBr	769933919	KEJNZDWMNDNWMS-GXSJLCMTSA-N	322.224	1.770	50	20	DDGD	
CC[C@H](CNC(=O)NN(C)C(=O)OC)Oc1cccc(F)c1	875357001	HOTRCBLJKYROIP-LLVKDONJSA-N	313.329	1.896	50	20	DDGD	
CCOc1ccc(C=NNC(=O)c2sc(N)nc2C)c(O)c1	874104815	PATQNNKCUZZJFA-UHFFFAOYSA-N	320.374	1.902	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)c(Cl)cc1O	872384383	PZUOGXMKIUZZBG-PSASIEDQSA-N	312.753	1.929	50	20	DDGD	
COC1([C@H](C)NC(=O)NNc2cccc(C)n2)CCOCC1	875679919	POUGKNJRTVSNEI-LBPRGKRZSA-N	308.382	1.600	50	20	DDGD	
Cc1cc(C(=O)NNc2nc(O)c3cnn(C)c3n2)oc1C	770992133	VXYBHMIHABSSOS-UHFFFAOYSA-N	302.294	1.036	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1coc(C2CC2)n1	776839465	QXXYYYGTDKMZLR-UHFFFAOYSA-N	301.302	1.635	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)c1cc(-c2ccccc2)on1)C(C)C	771093745	GZEKKNZVDZZUNV-CQSZACIVSA-N	317.345	1.774	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=S)Nc1ccccc1OC	873768178	XKSPXMUXLVVHKU-NSHDSACASA-N	323.418	1.994	50	20	DDGD	
N#C[C@]1(C(=O)NNC(=S)Nc2ccccn2)CC12CCCC2	874956040	IVGVYSHSAUUSRJ-HNNXBMFYSA-N	315.402	1.873	50	20	DDGD	
COc1ccc(CC(=O)NNc2ccccn2)cc1[N+](=O)[O-]	777472761	VETSISMKAPPGKY-UHFFFAOYSA-N	302.290	1.684	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cc(Br)nn1C	879643577	MIXHBBCJRXIIKI-ZCFIWIBFSA-N	318.175	1.381	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1ccnc(Br)c1	771546883	IXEPYEIKOUMTBQ-NSHDSACASA-N	323.194	1.385	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)N[C@H](CO)C1CC1	778686897	MIZQSFRQBYZXRF-LLVKDONJSA-N	303.318	1.148	50	20	DDGD	
CSCCNC(=O)NNC(=O)c1nc2ccccc2s1	872805863	FELYKTNDSQRNBD-UHFFFAOYSA-N	310.404	1.603	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCOC2(CCC2)C1)c1ccccc1F	887625657	ADCJJMNKRLEKPV-NSHDSACASA-N	306.337	1.936	50	20	DDGD	
CCc1nc2c(s1)C(=NNC(=O)NCC(=O)OC)CCC2	779822464	FJHBJFWUJQTGEU-UHFFFAOYSA-N	310.379	1.218	50	20	DDGD	
C[C@H]1Cc2ccccc2CN1C(=O)NNC(=O)c1cccnn1	883851267	OGYXUPXUGSDSSO-NSHDSACASA-N	311.345	1.278	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1F)[C@@H]1CN2CCCN1CC2	885107265	BJDPAUBWDJSNDM-ZDUSSCGKSA-N	312.776	1.312	50	20	DDGD	
CN(C)C(=O)c1cccc(CNS(=O)(=O)CCCCl)c1	881780665	AJHPXMVQVMIACS-UHFFFAOYSA-N	318.826	1.437	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccnn1C(C)C	772189456	CQKTXTSLGBPELD-LLVKDONJSA-N	324.381	1.203	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)NCC(=O)OC)C12CCCCC2	779818247	OELQDKYACUVWAD-GFCCVEGCSA-N	311.382	1.574	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](C)Oc1ccc2c(c1)CCC2	887141971	QXGYGESHYAXQPT-CYBMUJFWSA-N	314.385	1.894	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCCO[C@@H]1CCOC1	885737706	LXPAXUIIXMIBGB-BMQCOBNYSA-N	304.321	1.654	50	20	DDGD	
CN(C)[C@H](C(=O)NN=c1cc[nH]cc1)c1cccc(Cl)c1	780757231	WIRDBFVATUSSAR-AWEZNQCLSA-N	304.781	1.903	50	20	DDGD	
CO[C@H]1CCC[C@H](C(=O)NNC(=O)c2ccc(C)c(O)c2)C1	882050647	DVTMZGKVXYRTJN-AAEUAGOBSA-N	306.362	1.667	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc(N(C)C)c(F)c1	880922636	MEEUTAJYFAAPEH-GXSJLCMTSA-N	324.356	1.469	50	20	DDGD	
COCCN(C)Cc1cn(/C(Cl)=C\CBr)nn1	881310501	KMIDQZOHQCBJSE-KMKOMSMNSA-N	323.622	1.788	50	20	DDGD	
COc1cccc(NNC(=O)c2cnc3cc(C)nn3c2C)n1	780769686	ZGVBZHQUQDOVGZ-UHFFFAOYSA-N	312.333	1.507	50	20	DDGD	
Cc1cc(CC(=O)NN=C2CCOC3(CCOCC3)C2)n[nH]1	884410150	BEZMDWLFRNLLGP-UHFFFAOYSA-N	306.366	1.092	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=S)NC2(C)CC2)cc1OC	789173906	RIZJEISDKZYPIO-UHFFFAOYSA-N	323.418	1.755	50	20	DDGD	
N#Cc1ccc(NNC(=O)N[C@H]2CCN3CCC[C@H]3C2)nc1	887754094	WLVVDWXBIUZJGP-STQMWFEESA-N	300.366	1.206	50	20	DDGD	
Cc1cccc2c1CC[C@H]2NC(=O)NNC(=O)c1cccnn1	883333988	IXRVDSGMPZSNSG-CYBMUJFWSA-N	311.345	1.417	50	20	DDGD	
CSc1ccc(NC(=O)C(=O)NNc2ccnc(F)c2)cn1	784847210	SZOFXSHNLSZXQN-UHFFFAOYSA-N	321.337	1.419	50	20	DDGD	
Cc1cccc([C@@H](CC(=O)NN=c2cc[nH]cc2)NC(N)=O)c1	780756080	BDPFJYOKHOYHAL-CQSZACIVSA-N	313.361	1.055	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)NC[C@@H]2C=CCC2)c1	883833113	UQKCZGNWTPDXPS-CQSZACIVSA-N	317.389	1.979	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CN2[C@H](C)CC[C@H]2C)c1	781036878	AFBMNJYKRDDOAD-VXGBXAGGSA-N	305.378	1.789	50	20	DDGD	
CC(C)CN(CC(N)=O)C(=O)[C@H](Br)C(C)(C)C	781073055	AXBOJVUAMWCUEH-JTQLQIEISA-N	307.232	1.766	50	20	DDGD	
NC(=O)[C@H]1CCC[C@H](C(=O)NNc2cccc([N+](=O)[O-])c2)C1	787134463	ZJMDWVKQNREBKC-UWVGGRQHSA-N	306.322	1.330	50	20	DDGD	
COC1CCN(CCNS(=O)(=O)CCCCCl)CC1	780810473	PVJINIOAVGSYCM-UHFFFAOYSA-N	312.863	1.036	50	20	DDGD	
CCC(=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1)c1cn[nH]c1	788977519	PUZRBRZOJCWDDM-JHJVBQTASA-N	321.425	1.385	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)Cc1ccc(Cl)cn1	785701594	LHYUVNRFBQEBCX-UHFFFAOYSA-N	321.739	1.807	50	20	DDGD	
CC(C)c1nccn1CC(=O)NNC(=O)c1cccc(Cl)n1	898785222	XZVKKXYWOVJSJY-UHFFFAOYSA-N	321.768	1.516	50	20	DDGD	
O=C(NN=C1CCCc2c1cnn2-c1ncccn1)C(F)F	793039956	RBYFLJRIPZTNHZ-UHFFFAOYSA-N	306.276	1.084	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)c(C)c1	891957948	RBNFHCWJABLYKK-HFBAOOFYSA-N	315.373	1.088	50	20	DDGD	
CCCn1nc(C)c(C(=O)NNC(=S)NC(C)(C)C)c1C	899996910	YBTGEYHOXCWEGM-UHFFFAOYSA-N	311.455	1.817	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)NNc1cccnn1	793809476	PMHLTOAOHSDODY-LLVKDONJSA-N	321.381	1.565	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)C(C)(C)C)NC(=O)OC(C)(C)C	792239170	AGPYCXSOTFFHCB-SECBINFHSA-N	316.402	1.276	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccnn1-c1ccc(F)cc1	794499934	SNMOSBHAJRNIFI-UHFFFAOYSA-N	319.340	1.681	50	20	DDGD	
C[C@H](Oc1ccc(C=O)cc1)C(=O)NNC(=O)c1ccccc1	794738332	HFKHVQXDRHCKJR-LBPRGKRZSA-N	312.325	1.728	50	20	DDGD	
C[C@@H](C=NNC(=O)c1ccc(O)c(O)c1)NC(=O)OC(C)(C)C	799113733	KGVOXSMXZVRADG-VIFPVBQESA-N	323.349	1.727	50	20	DDGD	
COc1cncc(C(=O)NNc2nc(-c3ccccc3)no2)n1	790620845	CAOKGMPUUCESJZ-UHFFFAOYSA-N	312.289	1.292	50	20	DDGD	
CO[C@@H](C(=O)NNc1ccc(Br)nc1)C1CC1	792642322	IUUFDGDRGONLKA-SNVBAGLBSA-N	300.156	1.712	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NN=c1cc[nH]cc1	793784907	DXWMKTIVOUHMJL-LBPRGKRZSA-N	320.393	1.592	50	20	DDGD	
CC[C@H](C)n1ncc(NC(=O)C(=O)NNc2ccccn2)c1C	792261005	RZXAUOFUKQCRJD-JTQLQIEISA-N	316.365	1.639	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)c2ccc(Cl)cc2O)cnn1C	794241600	JZQBLOIPSVRXKX-UHFFFAOYSA-N	322.752	1.091	50	20	DDGD	
C[C@H](CNS(=O)(=O)c1ccc(CCl)cc1)CN(C)C	389084518	MAKIWUODMADUBV-LLVKDONJSA-N	304.843	1.901	50	20	DDGD	
N#CCCn1cc(C=NNC(=O)CCO)c(-c2ccccc2)n1	1318932604	YUYOZLMQVONWJM-UHFFFAOYSA-N	311.345	1.296	50	20	DDGD	
CSSCCNS(=O)(=O)c1cc(C(=O)O)cs1	397859659	NTYUDBUJWJHXDM-UHFFFAOYSA-N	313.447	1.736	50	20	DDGD	
C[C@H]1[C@H](C)CCN1C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1328967425	IVLYVODXZJILIF-QYTUQVAYSA-N	317.227	1.533	50	20	DDGD	
O=C(Nc1ccccc1F)[C@@H]1CSCN1C(=O)CCl	1324707211	UXXCIIZOFQVASU-JTQLQIEISA-N	302.758	1.905	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccnc(C(F)(F)F)c1	1324024927	VPJUADICWASUHV-UHFFFAOYSA-N	306.313	1.618	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNC(=O)c1ccccc1Cl	1325599413	HHKHSEDPSNLJFO-SECBINFHSA-N	312.753	1.690	50	20	DDGD	
COc1nccnc1NNC(=O)CCOc1ccccc1C	1325233384	YAHAZUJIRRPXSU-UHFFFAOYSA-N	302.334	1.706	50	20	DDGD	
CC1CCN(CCC(=O)NN=C2CCc3cccnc32)CC1	1330877154	QOWZWTVZNNJJNL-UHFFFAOYSA-N	300.406	1.970	50	20	DDGD	
C[C@@]1(CNCc2ccc(S(C)(=O)=O)o2)C[C@@H]1Br	1331336365	BDAGKFHEXVSXBR-ONGXEEELSA-N	322.224	1.946	50	20	DDGD	
Cc1cccn2cc(CC(=O)NNC(=S)NC(C)C)nc12	1251514557	UPVICWADCNRGRN-UHFFFAOYSA-N	305.407	1.089	50	20	DDGD	
Cc1nnc(O)c(CNC(=O)[C@]2(C)C[C@@H]2Br)c1C	1333254798	XKXHWGVQVVVONO-JOYOIKCWSA-N	314.183	1.589	50	20	DDGD	
COc1cc(C(=O)OC[C@@]2(C)C[C@@H]2Br)ncn1	1348960410	BFOQBVXMDMQGEE-GZMMTYOYSA-N	301.140	1.816	50	20	DDGD	
CC(C)(C)C(=O)CCCC(=O)NNc1nncc(N)c1Cl	1344110918	JOTROBXYYKZYPF-UHFFFAOYSA-N	313.789	1.941	50	20	DDGD	
CO[C@H]1CCC[C@H]1C(=O)NNc1nc2ccccc2c(=O)n1C	1346823198	NSLGEZQEAXIOAU-YPMHNXCESA-N	316.361	1.192	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cn3c(n2)CCCC3)c1Cl	1354511783	XBECBENRBGCYRQ-UHFFFAOYSA-N	307.745	1.002	50	20	DDGD	
O=C(NC[C@H]1CCC=CO1)NNc1ccc(C(=O)O)c(F)c1	1601481864	FBWBFNQYLPBFHM-SNVBAGLBSA-N	309.297	1.843	50	20	DDGD	
C[C@H]1CCCc2ncc(C(=O)NNc3ccc(C(=O)O)cn3)n21	1604740097	MEHZMRHFKMLZKE-VIFPVBQESA-N	315.333	1.631	50	20	DDGD	
Cc1nn(C)c(C)c1CC(=O)NNc1ccc(CC(=O)O)cc1	1600771288	ZCANGMBDVGIYJG-UHFFFAOYSA-N	316.361	1.350	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)Nc1cccc(C(=O)O)c1	1605821130	TXJYLFNIKQYYGM-UHFFFAOYSA-N	312.289	1.576	50	20	DDGD	
Cc1cc(=NNC(=O)Nc2ccc(CCC(=O)O)cc2)cc[nH]1	1600283575	YFKQTFNMHFQJOW-UHFFFAOYSA-N	314.345	1.978	50	20	DDGD	
O=C(O)CC[C@@H]1CC[C@H](C(=O)NNc2c(F)cccc2F)O1	1602035862	ADMUZUMWHHBGLS-GZMMTYOYSA-N	314.288	1.820	50	20	DDGD	
CSc1ccc(NNC(=O)Nc2c(C(=O)O)cnn2C)cc1	1607409707	PTCHPUGPUHBEKL-UHFFFAOYSA-N	321.362	1.989	50	20	DDGD	
Cn1nc(C2CC2)cc1C(=O)NNc1ccc(C(=O)O)c(F)c1	1601012701	GANKRAIGLWXZTN-UHFFFAOYSA-N	318.308	1.892	50	20	DDGD	
CC(=O)c1cc(C(=O)NNc2cccc(C(=O)O)c2F)n(C)c1	1603099305	GXZMTOFSFZLWDM-UHFFFAOYSA-N	319.292	1.822	50	20	DDGD	
O=C(O)CCCC(=O)NNC(=S)Nc1cccc(Cl)c1	1601979053	QJVGBKMLWYGIMN-UHFFFAOYSA-N	315.782	1.913	50	20	DDGD	
CCCC[C@H](NNC(=O)COc1cc(C)ccc1C)C(=O)O	1609961485	MPYBJWXQEPDBNQ-ZDUSSCGKSA-N	308.378	1.946	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc(C[C@H](C)C(=O)O)cc1	1603706239	OCMHWXWCJINHPZ-JTQLQIEISA-N	307.350	1.759	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1cnccc1C	1607140542	FMGHJSNAKZHKOU-UHFFFAOYSA-N	301.302	1.854	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cc(C(=O)O)on2)c1F	1606618362	PXYMOOJCCSSKIW-UHFFFAOYSA-N	323.236	1.055	50	20	DDGD	
Cc1cccc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)c1C	1549319298	TVRLWJYDYJJEQZ-JKSUJKDBSA-N	301.390	1.617	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2snnc2C2CC2)nc1	1610835828	HBMBNWVVNGTILP-UHFFFAOYSA-N	305.319	1.266	50	20	DDGD	
O=C(NN=Cc1cc2cnccc2o1)[C@H]1CN2CCC[C@@H]2CO1	1549315473	PEYIZWRVSAWWMJ-IUODEOHRSA-N	314.345	1.141	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@H]1C(=O)NN=Cc1cocn1	1549314135	HNMKZCMVWKALRC-YPMHNXCESA-N	303.322	1.026	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NN=C[C@@H]2CCCO[C@@H]2c2cnn(C)c2)O1	1552672409	KNIAEXXGWMCJHW-OSRDXIQISA-N	320.393	1.557	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCS1)c1ccc(-c2nn[nH]n2)s1	1588773071	STWFUNBYVVBWIM-JTQLQIEISA-N	322.419	1.664	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1csc(C2CCNCC2)n1	1580737524	RQFFVODVWIZOSG-UHFFFAOYSA-N	319.390	1.013	50	20	DDGD	
CC[C@H](C)[C@H](N)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843362921	KKKNQITTZUDZPU-GARJFASQSA-N	319.808	1.098	50	20	DDGD	
CCCN(NC(=O)c1cnc(C(=O)O)cn1)C(=O)OC(C)(C)C	1589673675	PRTNROKLKCAWSM-UHFFFAOYSA-N	324.337	1.467	50	20	DDGD	
N[C@H]1CC[C@H](NC(=O)NNC(=O)c2cc3ccccc3o2)CC1	1580420189	VJEQQNYFGMESQA-HAQNSBGRSA-N	316.361	1.647	50	20	DDGD	
C=CC[C@@H](NNC(=O)c1cc(Br)c[nH]1)C(=O)O	1588749319	HUXGIRRQETZPBI-SSDOTTSWSA-N	302.128	1.041	50	20	DDGD	
O=C(C1=CCCS1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843362400	SFLWTIOCGSOMIT-JTQLQIEISA-N	318.801	1.745	50	20	DDGD	
CC[C@H](C)[C@@H](C)NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1590398339	ANFPJPLIOVLKCT-DTWKUNHWSA-N	304.358	1.322	50	20	DDGD	
O=C(O)CC1(C(=O)NNC(=O)c2ccccc2Cl)CCC1	1594976208	FLSVCXLZEPPQCE-UHFFFAOYSA-N	310.737	1.746	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)CC(C)C	1591326042	GQIYUENFKLYMJX-CYBMUJFWSA-N	316.365	1.643	50	20	DDGD	
COc1cc(C=NNC(=O)NCC(=O)O)cc(C(F)(F)F)c1	1599399214	FPAJADYIXRNUDH-UHFFFAOYSA-N	319.239	1.432	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(C(=O)O)c(F)c1	1599739426	XMLWEVXQKYHSHW-UHFFFAOYSA-N	306.253	1.079	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)Nc2ccnc(C(=O)O)c2)n1	1594453120	HZWYGNWWOSNOHD-UHFFFAOYSA-N	322.712	1.680	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1ccc(C)nc1	1599376352	LNNCGIVTEIZQBP-UHFFFAOYSA-N	301.302	1.854	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccc(C(=O)O)cc1F	1599738261	ALTJSEMQJGRWBO-UHFFFAOYSA-N	321.268	1.471	50	20	DDGD	
CO[C@H](CC(=O)NNc1ccc(C(=O)O)cn1)C(F)(F)F	1599043773	QPHVTEGHRXTBKX-SSDOTTSWSA-N	307.228	1.190	50	20	DDGD	
C[C@H](c1cccc(-c2nn[nH]n2)c1)N(C)S(=O)(=O)CCl	1590046693	MHBXBXLPXDZTMP-MRVPVSSYSA-N	315.786	1.386	50	20	DDGD	
Cc1nn(C)c(C)c1CCC(=O)NNc1ncccc1C(=O)O	1594482483	VRGSGSWFMKCFDF-UHFFFAOYSA-N	317.349	1.206	50	20	DDGD	
N#C/C(=C/c1cccn2c(C(=O)O)cnc12)C(=O)N1CCCC1	1776122567	DAYFRNAVVGPFBB-WQLSENKSSA-N	310.313	1.562	50	20	DDGD	
O=C(O)c1cnc2c(c1)C(=NNC(=O)c1ccon1)CCC2	1776106185	TWRAVKGWMZWIOF-UHFFFAOYSA-N	300.274	1.238	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1ccc(/C=C/C(=O)O)o1	1776129802	WWLSWEXYZLNPPJ-ZMLXFWSASA-N	304.302	1.437	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)[C@H](C)Sc1nncn1C	160768244	IIEGYTIMKVGHNV-VIFPVBQESA-N	309.370	1.887	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2ccc(C#N)cc2)nc1	163296134	AGJSRIMITDZZPO-UHFFFAOYSA-N	310.313	1.102	50	20	DDGD	
C[C@@H]1OCCN(C(=O)NNC(=O)c2ccc(C#N)cc2)[C@H]1C	165946284	NOFAJPBQPLAHEI-QWRGUYRKSA-N	302.334	1.022	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2ccc3c(c2)OCC(=O)N3)c1	152647587	NJZGFOIXHFIYIC-UHFFFAOYSA-N	308.297	1.646	50	20	DDGD	
CCNc1nc(C(=O)NNc2nc(C)cc(OC)n2)cs1	155788600	GRFATIVQGXJEFB-UHFFFAOYSA-N	308.367	1.439	50	20	DDGD	
CS(=O)(=O)c1ccccc1C(=O)NNc1cccc(F)c1	154758144	DWQUDAUYLMAIGK-UHFFFAOYSA-N	308.334	1.986	50	20	DDGD	
COc1ccc(C(=O)NNc2nc(-c3ccccc3)no2)nn1	159675371	WYKXPAVRBNBMNV-UHFFFAOYSA-N	312.289	1.292	50	20	DDGD	
C[C@]1(NS(=O)(=O)CCl)CCN(Cc2ccccc2)C1	406025227	GSQKHXWNEUXQGH-ZDUSSCGKSA-N	302.827	1.767	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)C1CCCCC1	7810194	YTYABJAJCQOFGN-UHFFFAOYSA-N	300.362	1.984	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)Cc2cccnc2)c(C)c1	103426122	JXOZTUDRZGYBTD-UHFFFAOYSA-N	319.386	1.251	50	20	DDGD	
COCCCN(C)C(=O)NNC(=O)Cn1ccc2ccccc21	104819844	ZSDVQKVMWBZZCC-UHFFFAOYSA-N	318.377	1.350	50	20	DDGD	
C=CCOc1ccc(/C=C\C(=O)NNC(=O)NC)cc1OC	56371414	TWIFSCQVGXBDIO-VURMDHGXSA-N	305.334	1.233	50	20	DDGD	
COCCCNC(=O)NNC(=O)C(C)(C)c1ccccc1OC	58874131	CMFGCKONWFLZOF-UHFFFAOYSA-N	323.393	1.340	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)c1ncccc1O	104942376	IHEASSLXAMGBJT-UHFFFAOYSA-N	310.313	1.203	50	20	DDGD	
O=C(Cc1n[nH]c2ccccc12)NNC(=O)NC1CCCC1	50628310	AIBKULNATVHVNE-UHFFFAOYSA-N	301.350	1.378	50	20	DDGD	
CC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)c1ccc[nH]1	170818318	NOZISYAWAPJSPQ-ZDUSSCGKSA-N	300.362	1.980	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1CCCN(c2ccccc2)C1	115837595	FXUKHCGDIAGDQY-ZDUSSCGKSA-N	320.393	1.022	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C	175651157	XJXPKAFRPKGHMM-BONVTDFDSA-N	323.368	1.816	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)CC[C@@H]1CCOC1	175823698	DREMPFYJBIVNQU-CYBMUJFWSA-N	320.389	1.592	50	20	DDGD	
O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NNc1ccccc1	111555092	HJWBPYMABZWHCO-UHFFFAOYSA-N	324.340	1.223	50	20	DDGD	
CS[C@@H](C)C(=O)NNC(=O)NCc1ccc(Cl)cc1	112729323	JVIPICOWOBTZCS-QMMMGPOBSA-N	301.799	1.922	50	20	DDGD	
CCn1ncc(Br)c1C(=O)NCCCSC#N	1352170868	YYIBMWRBQNMERT-UHFFFAOYSA-N	317.212	2.000	50	20	DDGD	
O=C(NCc1nnc2n1CCCCC2)NNc1ccccc1	114915130	NYJVMEKYFQXVNH-UHFFFAOYSA-N	300.366	1.831	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](CCN(C)C)C(C)(C)C)nn1	116439886	BKMORGDPHUSFHM-LBPRGKRZSA-N	308.430	1.778	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)n1C	21001676	GSZCOFQDGDZKEA-UHFFFAOYSA-N	302.290	1.317	50	20	DDGD	
Cc1nn(C)c2sc(C(=O)NNc3ncc(F)cn3)cc12	122543573	ZMKAJQAHBXAVES-UHFFFAOYSA-N	306.326	1.629	50	20	DDGD	
COc1c(C(=O)NNC(=O)NC2CCCCC2)c(C)nn1C	171790129	OZIFPIIYHSVWIP-UHFFFAOYSA-N	309.370	1.014	50	20	DDGD	
C[C@H](CS(C)(=O)=O)C(=O)NNc1cccc2c1CCCC2	120254001	DHPOHHSNNKCWDO-LLVKDONJSA-N	310.419	1.689	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)c(C)o1	67127159	PRDAMACCIVJTDL-UHFFFAOYSA-N	311.338	1.182	50	20	DDGD	
CN(C)c1ncccc1C(=O)NNC(=O)Cc1ccccc1F	66784470	KETAWFCNKRPZPF-UHFFFAOYSA-N	316.336	1.290	50	20	DDGD	
C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)[C@@H]1CCCO1	32262504	WBALBIFDPWLFOO-CABZTGNLSA-N	312.753	1.434	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)OCCC(C)C)c(O)c1	70822933	MZSRNDLERUQAFD-LBPRGKRZSA-N	308.378	1.913	50	20	DDGD	
Cc1ccc(C[C@H](C)NC(=O)NNC(=O)c2cnn(C)c2)s1	127985472	OXWQVLDLFGCISE-VIFPVBQESA-N	321.406	1.365	50	20	DDGD	
CCc1cccc(C)c1NC(=O)C(=O)NNC(=O)[C@@H](C)CC	124793408	IGHGCVGYORZHLR-JTQLQIEISA-N	305.378	1.689	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1ccncc1Cl	72700408	NNDKQLCOAOGZKI-UHFFFAOYSA-N	304.737	1.608	50	20	DDGD	
C[C@H]1CCCN(CCCCNC(=O)NNc2cccnn2)C1	77348020	QCZSUGPSZCWCNO-ZDUSSCGKSA-N	306.414	1.615	50	20	DDGD	
O=C(NNc1ccccn1)[C@@H]1CC(=O)N(Cc2ccccc2)C1	181239517	YKMBXNAMAUVKCI-CQSZACIVSA-N	310.357	1.573	50	20	DDGD	
Cc1noc(C)c1CCC(=O)NNC(=O)c1ccc(Cl)nc1	77249005	JKWGTWSJMRDIQT-UHFFFAOYSA-N	322.752	1.734	50	20	DDGD	
CCN(CC)CCCNC(=O)NNc1cncc(Cl)n1	125525541	MHLOOBNZIFVNBQ-UHFFFAOYSA-N	300.794	1.488	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)s1	32532090	OELHCJIIKKBHNR-UHFFFAOYSA-N	314.363	1.819	50	20	DDGD	
O=C(NCCOc1ccc(Cl)cc1)NNc1ncccn1	43790061	QJUNHADDDKFPTO-UHFFFAOYSA-N	307.741	1.835	50	20	DDGD	
COCCC[C@H](C)C(=O)NNc1nc(-c2ccncc2)no1	181589668	WQFUIRYVIBGYMD-JTQLQIEISA-N	305.338	1.637	50	20	DDGD	
C[C@H](CCNC(=O)NNC(=O)c1ccc[nH]1)N1CCCCC1	182696320	NAMBCGCZSTVFOR-GFCCVEGCSA-N	307.398	1.223	50	20	DDGD	
O=C(CSc1nccs1)NNC(=O)c1ccc(F)cc1	47238925	VNEYJQJMDBKRDK-UHFFFAOYSA-N	311.363	1.836	50	20	DDGD	
O=C(CCn1cncn1)NNc1ncc(Cl)cc1Cl	132728540	MYCLHXVQFQCLBK-UHFFFAOYSA-N	301.137	1.513	50	20	DDGD	
C=CCOc1cc(OC)ccc1C(=O)NNc1cccnn1	135597349	GIXYOKNXVADBTK-UHFFFAOYSA-N	300.318	1.807	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2cc3ccccc3o2)o1	84921278	OVGQRVTUBQSEOS-UHFFFAOYSA-N	320.326	1.958	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)Cc1ccncc1	81027773	HLYZXXZFKHPWBG-UHFFFAOYSA-N	314.301	1.302	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)C[C@@H](C)OC)o1	195440094	NLDAESULMIINJN-LLVKDONJSA-N	311.382	1.307	50	20	DDGD	
CCOc1ncccc1CNC(=O)NNc1nc(C)cc(C)n1	193339649	BAHGHOAZVKRBML-UHFFFAOYSA-N	316.365	1.713	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CN2CCCCC2=O)cc1	97262541	FBZAWWAEBYZKBR-UHFFFAOYSA-N	303.362	1.023	50	20	DDGD	
O=C(NNc1nccc(N2CCOCC2)n1)[C@H]1C[C@H]2CC[C@H]1C2	245968486	FBVXHAUONKAURX-AVGNSLFASA-N	317.393	1.193	50	20	DDGD	
COc1cc(OC)c(OC)cc1C=NNC(=O)c1cccnc1	254742885	ZZKWSQILLYEBOK-UHFFFAOYSA-N	315.329	1.871	50	20	DDGD	
O=C(NC[C@@H]1CCN(C2CC2)C1)NNc1ccc(Cl)nc1	266677437	PSQVPCLNAKGQHW-JTQLQIEISA-N	309.801	1.845	50	20	DDGD	
CSC[C@](C)(O)CNC(=O)c1c(C)nn(CCCl)c1C	266822160	FXYCVJKFDVUJQG-CYBMUJFWSA-N	319.858	1.583	50	20	DDGD	
Cc1nn(CCC(=O)NN(C)c2ccccc2)c(C)c1[N+](=O)[O-]	263641615	CEJKATLROQNFLI-UHFFFAOYSA-N	317.349	1.966	50	20	DDGD	
Cc1c(NNC(=O)CN2CCCCC2=O)cccc1[N+](=O)[O-]	269599347	JTQMQSBHBFQFJP-UHFFFAOYSA-N	306.322	1.359	50	20	DDGD	
CCCC[C@@H](NC(N)=O)C(=O)NNc1cccc([N+](=O)[O-])c1C	269579454	AQLYBIBPWBOKAC-LLVKDONJSA-N	323.353	1.573	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2ccc(OC)nc2)n1	268592285	MKCVEQNQCBJQGO-UHFFFAOYSA-N	316.365	1.483	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1CCCN1c1ccccc1	365990485	RCEMHRVKQNUOIH-ZDUSSCGKSA-N	313.361	1.597	50	20	DDGD	
Cc1ccnc(NNC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c1	269588255	MEKLRDKRVQIQCM-UHFFFAOYSA-N	304.310	1.902	50	20	DDGD	
COc1ccnc(NNC(=O)COc2ccc(OC)c(C)c2)n1	268988481	RIKRZTZZJQNKBV-UHFFFAOYSA-N	318.333	1.324	50	20	DDGD	
C[C@H](C(=O)NNC(=O)N1CCOCC1)c1cccc(Cl)c1	266175926	XHUAZKWFPJYKHO-JTQLQIEISA-N	311.769	1.517	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(OCCOC)nc1	273461498	GANPXZPJIDRZOV-JTQLQIEISA-N	310.354	1.306	50	20	DDGD	
CCCOc1ccc(NC(=O)C(=O)NNC(=O)CC(C)C)cc1	274224734	VTDZLDDRDYVHJP-UHFFFAOYSA-N	321.377	1.607	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@@H]1CCO[C@H](C)C1	271816678	BXJCCHMWCKHNJR-VXGBXAGGSA-N	321.377	1.070	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H](C)c1ccccc1	278625702	MUJMNMCMBMBROH-GFCCVEGCSA-N	308.378	1.727	50	20	DDGD	
COC[C@H](NC(=O)NNc1ccc(Cl)nc1)[C@H]1CCCO1	279794244	VYTCEJMPNWGDRN-WDEREUQCSA-N	314.773	1.555	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1	273763518	YNHACSWCCONYNC-UHFFFAOYSA-N	321.358	1.623	50	20	DDGD	
CO[C@@H](C(=O)NNC(=S)NCCSC)c1ccccc1	271371447	GDTVOXJXAVOPHT-LLVKDONJSA-N	313.448	1.232	50	20	DDGD	
CCC(CC)N1C[C@@H](C(=O)NNc2ncccc2C)CC1=O	276753574	QGELSUHZTQPEIP-LBPRGKRZSA-N	304.394	1.870	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCCC=C(C)C	276585721	AFYLLDWJIPXDKS-UHFFFAOYSA-N	305.378	1.924	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc(-c2ncn(C)n2)c1	276009202	IMWJEOFETDDPLK-UHFFFAOYSA-N	317.353	1.180	50	20	DDGD	
C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)CCCCCl	376345118	YAKZMFGFMJPOTA-STQMWFEESA-N	308.875	1.894	50	20	DDGD	
CCCN1CCCN(C(=O)NCCSSC)CC1=O	376949804	DUOPPGHWOJUJHH-UHFFFAOYSA-N	305.469	1.652	50	20	DDGD	
Cc1cc(NNC(=O)CCOCC(F)(F)C(F)F)nc(C)n1	287916831	IQRZIEXSLDCVQV-UHFFFAOYSA-N	324.278	1.844	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)COc1ccccc1F	282568544	FEQCHEXIEVBIHB-RBZYPMLTSA-N	310.325	1.165	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cncc(CC)c1	287784202	LBMZQDCREGELME-UHFFFAOYSA-N	309.366	1.194	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cccnc2F)n1	288525775	UYCIWJYYDVCZBD-UHFFFAOYSA-N	304.329	1.614	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2	376852942	YNUPOOATHFALJV-CPWXYTRJSA-N	309.410	1.400	50	20	DDGD	
O=C(NNc1ncccc1F)c1ccc(N2CCCC2)nc1	285952211	LCHXWSCXTVNTAZ-UHFFFAOYSA-N	301.325	1.973	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Nc1cccc(F)n1	284594878	BGKNHKPPEBXCLE-UHFFFAOYSA-N	314.317	1.163	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)COc1ccc(F)cc1)C(F)(F)F	288790146	KATJWHFALMOZNX-ZETCQYMHSA-N	323.246	1.486	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C[C@@H]1OC(=O)c2ccccc21	298289231	CDQQDSHYYCJWQO-NSHDSACASA-N	306.318	1.844	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)CCCc1ccccc1)C1CC1	296251197	GIVLBGRYXSDNKH-HNNXBMFYSA-N	319.405	1.765	50	20	DDGD	
CC[C@H](C)CONC(=O)NNC(=O)COc1ccccc1F	291709892	GHELTJVMSVJWIA-JTQLQIEISA-N	313.329	1.513	50	20	DDGD	
COCc1cc(NC(=O)NNC(=O)C2CC2)cc(C(=O)OC)c1	297402915	MQGZXHBNOCPFOR-UHFFFAOYSA-N	321.333	1.182	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccnc(C(F)(F)F)c1	808371409	NNCIVCJGTDBIKV-UHFFFAOYSA-N	324.262	1.499	50	20	DDGD	
CNc1ccc(C(=O)NNc2ncccc2F)cc1[N+](=O)[O-]	804215242	IGNUTNPNZAEWPL-UHFFFAOYSA-N	305.269	1.928	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Cc1cccc(Cl)c1F	809972609	XPJQCRPUIKTDGI-UHFFFAOYSA-N	309.728	1.821	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@@H]1CCSc2ccccc21	291600002	GYVDQLNYUOAZQX-NEPJUHHUSA-N	321.402	1.733	50	20	DDGD	
COCC1(CNC(=O)NNC(=O)c2ccccc2)CCOCC1	291921373	LCTYFJQAPVQWPB-UHFFFAOYSA-N	321.377	1.074	50	20	DDGD	
O=C(NNc1ncccc1F)c1ccc(-c2nc(=O)o[nH]2)cc1	807669631	MQIWLKFDONIRBW-UHFFFAOYSA-N	315.264	1.321	50	20	DDGD	
Cc1cc(F)cc2c(=O)c(C(=O)NNC(=O)NC(C)C)c[nH]c12	804316216	SZBQQDJETGQKSZ-UHFFFAOYSA-N	320.324	1.328	50	20	DDGD	
Cc1ccccc1NCCC(=O)NNC(=O)c1cccn1C	298167745	PVEPRRZZPLHTBE-UHFFFAOYSA-N	300.362	1.597	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1cccnc1)Nc1ccc(Cl)cc1	802017218	DMIDPRLNEBWZIL-GFCCVEGCSA-N	320.736	1.621	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	299397559	LSUCJJWPHVAIPL-UHFFFAOYSA-N	322.752	1.344	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNC(=O)Cc1ccccc1C	808560705	XPERJHFPBOYMGO-NSHDSACASA-N	306.362	1.274	50	20	DDGD	
CC(C)c1nc(CCNC(=O)NNc2ccncn2)cs1	296382385	PGORXZVIUGAJNK-UHFFFAOYSA-N	306.395	1.925	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)C(C)(C)S(=O)(=O)C1CC1	803116382	KNXDRDKEHSTALJ-UHFFFAOYSA-N	314.382	1.933	50	20	DDGD	
CCCN(CC)C[C@@H](C)NC(=O)NNc1nccc(OC)n1	291356922	WVKOUKDSFVMCNQ-LLVKDONJSA-N	310.402	1.232	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)Cn1nnc(-c2ccccc2)n1	808248749	RIEXKUQQYFOIJV-UHFFFAOYSA-N	314.176	1.602	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2occ3c2CCC3)c1	803037394	BTYNDBQTDLUAGB-UHFFFAOYSA-N	320.370	1.929	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@H]2C[C@@H]2OCC)cc1OC	298679352	SMISOPPXEJWDPZ-YPMHNXCESA-N	322.361	1.280	50	20	DDGD	
COCC1(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)CCC1	803395301	FSDSTXNROLYWNP-UHFFFAOYSA-N	321.333	1.385	50	20	DDGD	
CN1CCC[C@]2(CCN(S(=O)(=O)CBr)C2)C1	815065436	CWWQEXYXHFCGNG-JTQLQIEISA-N	311.245	1.086	50	20	DDGD	
Cn1nncc1NNC(=O)c1cnc(Cc2ccccc2)s1	816769601	OXKHVTSZZOIMJM-UHFFFAOYSA-N	314.374	1.619	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2cncn2C)c1	812486474	QWZTWGWZIJLHGN-UHFFFAOYSA-N	303.322	1.033	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)CCc1ccccc1O	812501932	CSMRQAMLKVQAKN-RYUDHWBXSA-N	308.378	1.391	50	20	DDGD	
O=C(NNC(=O)c1cc(Br)c[nH]1)c1cc(F)c[nH]1	814799556	LQFXOIGFAXAXHP-UHFFFAOYSA-N	315.102	1.319	50	20	DDGD	
CCc1cnccc1[C@H](C)NC(=O)NNc1ncncc1F	814317146	NKEYYRBMJDQVHF-VIFPVBQESA-N	304.329	1.960	50	20	DDGD	
CCc1nocc1C=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1	814765843	ANGFWYPNZYISQS-UPJWGTAASA-N	322.409	1.432	50	20	DDGD	
O=C(NN=CCC1CCCCC1)N[C@@H]1CCS(=O)(=O)C1	814815690	GODYLZZBKZWGEG-GFCCVEGCSA-N	301.412	1.429	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=Cc2c[nH]c(C(=O)O)c2)c1	814737498	BFBGPFKDPIWJPA-UHFFFAOYSA-N	317.301	1.494	50	20	DDGD	
CCc1ccc(-c2cc(C(=O)NNC(=S)NC)n[nH]2)cc1	728314871	XLAKPGLFEZCIKZ-UHFFFAOYSA-N	303.391	1.378	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NCCSC)cc1	726278480	ILHROVWTYQWHFI-UHFFFAOYSA-N	311.407	1.321	50	20	DDGD	
CC[C@H](C)C(=O)NN=C(C)c1cccc(NS(C)(=O)=O)c1	729816779	SKEZUAHGKXNDGJ-JTQLQIEISA-N	311.407	1.944	50	20	DDGD	
Cn1nc(C(=O)NN=C2C[C@H]3CC[C@H]2C3)c2ccccc2c1=O	814740735	VGJAXADUOXSVFG-QWRGUYRKSA-N	310.357	1.839	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)c1cccc([N+](=O)[O-])c1	811628741	KJEVTZSWDYMVMH-LLVKDONJSA-N	304.306	1.369	50	20	DDGD	
O=C(Cc1cccc(F)c1)NNc1nc(-c2cccnc2)no1	728078940	CICRNMAAMKIEHT-UHFFFAOYSA-N	313.292	1.957	50	20	DDGD	
CSCc1ccc(C(=O)NNC(=O)c2cccn2C)cc1	726540250	AMHPWLHCQQQWKO-UHFFFAOYSA-N	303.387	1.963	50	20	DDGD	
CCN(CCO)NC(=O)[C@@](O)(CC)c1cccc(Cl)c1	823884715	GWQFJCXCDHGKCB-CQSZACIVSA-N	300.786	1.283	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cnc2n1CCCC2	826447545	KPXAUXCSNYFGGX-UHFFFAOYSA-N	324.348	1.156	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(Cl)c2c(c1)OCCO2	823838941	YZVFATOGBDKCFF-UHFFFAOYSA-N	300.742	1.070	50	20	DDGD	
CN(NC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1)C1CC1	824083400	YFPGSZRAVGBZEI-UHFFFAOYSA-N	318.377	1.290	50	20	DDGD	
CC(=NNC(=O)CCNC(=O)OC(C)(C)C)C1CCOCC1	495205613	GMQIRLVRHGPQPQ-UHFFFAOYSA-N	313.398	1.820	50	20	DDGD	
CN(C)[C@@H]1CCCC(=NNC(=O)CNC(=O)OC(C)(C)C)C1	496654415	IBQDVGKPRGFHSI-GFCCVEGCSA-N	312.414	1.488	50	20	DDGD	
O=C(/C=C\c1cccc(O)c1)NN=c1nc(-c2cccnc2)[nH]o1	492699939	DKKBXRITEONEGZ-SREVYHEPSA-N	323.312	1.416	50	20	DDGD	
N#C/C(=C\c1cc(-c2nn[nH]n2)cs1)C(=O)N1CCCC1	822795784	GWYSFDCUIHMXRX-WEVVVXLNSA-N	300.347	1.458	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)NC2CC2)c1OC(C)C	823767553	HPQDLRLZEJVZTN-UHFFFAOYSA-N	307.350	1.589	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(F)c(Br)c1	823865368	PDFDJHPUYLIPCC-UHFFFAOYSA-N	305.147	1.547	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c2ncccc12	823475084	NVIBUDAVQDCLCB-DGCLKSJQSA-N	313.357	1.729	50	20	DDGD	
Cn1cc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)cc1C(N)=O	490845945	UHTZAWHTNPCTLU-WDZFZDKYSA-N	312.304	1.809	50	20	DDGD	
CCCN(CC)Cc1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cc1	585069196	JDTIMKKSXCMFCV-MRXNPFEDSA-N	318.226	1.607	50	20	DDGD	
CC1(C)C[C@H](O)c2cc(NCc3ccc(B(O)O)cc3)ccc21	585036359	IHQGSFWLMNARQG-KRWDZBQOSA-N	311.190	1.693	50	20	DDGD	
CC(C)COC[C@@H](NCc1ccc(B(O)O)cc1)c1ccco1	585020865	KWPKQOIDSCEBQA-MRXNPFEDSA-N	317.194	1.463	50	20	DDGD	
COc1ccccc1N1CCC(=NNC(=O)c2ncon2)CC1	901290664	YPQNKMWGXFUFFH-UHFFFAOYSA-N	315.333	1.464	50	20	DDGD	
CC(C)[C@H](NC(=O)O)C(=O)NNC(=O)C(C)(C)c1ccccc1	736375919	RGWHKDMQHTZCQN-LBPRGKRZSA-N	321.377	1.404	50	20	DDGD	
C[C@H](CCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccccc1	825836381	ZKOSYTSXJQYFBW-NFAWXSAZSA-N	319.405	1.936	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)[C@H]1CCCN1C(=O)OC(C)(C)C	495652114	OSMWTMFBRKVMBC-LLVKDONJSA-N	313.398	1.649	50	20	DDGD	
O=C(CN1CCC[C@@H]1c1ccc(O)cc1)NNC(=O)C1CC1	733194430	QXRIZJIBRHEDNQ-CQSZACIVSA-N	303.362	1.087	50	20	DDGD	
CCOc1cccc2c1CC[C@H]2NCc1ccccc1B(O)O	585023977	PBGPMQNMQZXLAW-QGZVFWFLSA-N	311.190	1.542	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1ccccc1CCC	901609435	DGZLXTPLUQKNEN-UHFFFAOYSA-N	313.423	1.932	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(CC(=O)N(C)C)cc1	494657978	DHTJUIVMJGXUKV-UHFFFAOYSA-N	308.338	1.100	50	20	DDGD	
CCC[C@H](NC(=O)NNC(=O)c1cnn(C)c1)c1ccccn1	735512727	KCRGSVJWIGNVST-ZDUSSCGKSA-N	316.365	1.301	50	20	DDGD	
COC[C@@H](C)CNC(=O)NNC(=O)Cc1c[nH]c2ccccc12	737065629	VQHSNEXPRFXFBO-NSHDSACASA-N	318.377	1.323	50	20	DDGD	
CCN(CCc1cccs1)C(=O)c1ccc(B(O)O)c(F)c1	584931476	WLYXTVBKFVDXAJ-UHFFFAOYSA-N	321.182	1.272	50	20	DDGD	
COCCN(C)NC(=O)Cc1c(C)nc2c(c(C)nn2C)c1C	837620822	BLSBWBIYZQXPHX-UHFFFAOYSA-N	319.409	1.045	50	20	DDGD	
C=C(C)CCNC(=O)NNC(=O)Cc1nc2ccccc2n1C	838661350	UZBAIAGGDHNWEF-UHFFFAOYSA-N	315.377	1.412	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cc(Cl)ccc2[N+](=O)[O-])n[nH]1	739411388	KWNUKTZAZZZTAG-UHFFFAOYSA-N	321.724	1.973	50	20	DDGD	
COCc1ccccc1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	831235748	MFJFNIXDTQNOMI-PWSUYJOCSA-N	307.350	1.411	50	20	DDGD	
C[C@]1(C(=O)N[C@H]2c3ccccc3C[C@H]2O)C[C@H]1Br	907067707	JBBPDXWMLKXNQB-NMKXLXIOSA-N	310.191	1.934	50	20	DDGD	
Cc1ncc2c(n1)CCC[C@H]2NC(=O)NNC(=O)C1CCCC1	734954566	NUQFSURGIONNNN-CQSZACIVSA-N	317.393	1.683	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCCCOC2CCCC2)cn1	491012416	RFSZXBPEHHAZGV-ZROIWOOFSA-N	302.378	1.793	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1C[C@H]1c1cccc(O)c1	839725137	LWTZHLRCQMJRBC-NWDGAFQWSA-N	300.318	1.438	50	20	DDGD	
CCOC(=O)N1CCN(C(=O)[C@@]2(C)C[C@H]2Br)CC1	905062509	VLHOTKNOHRVYPG-SKDRFNHKSA-N	319.199	1.461	50	20	DDGD	
CCOCCCN1CC[C@@H](NS(=O)(=O)CCl)[C@H](C)C1	830534902	IPJAXEHASFVFAV-VXGBXAGGSA-N	312.863	1.239	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@H](C1CC1)C(F)(F)F	836459377	PIWSWIUUPCUCSR-DTWKUNHWSA-N	309.288	1.227	50	20	DDGD	
CC(C)[C@@H](C(=O)NN=c1sc2ccccc2n1C)N(C)C	730271223	QBWTXIBDYJUOQH-ZDUSSCGKSA-N	306.435	1.758	50	20	DDGD	
CCC(C)(C)[C@@H]1CCCN1C(=O)c1ccc(B(O)O)c(F)c1	584964659	JJWVPJCEMYRNGC-AWEZNQCLSA-N	307.174	1.546	50	20	DDGD	
Cc1ncccc1C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	733108214	AKCRVNJOAHKSTP-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
O=S(=O)(CCl)N1CCc2c(nnn2-c2ccccc2)C1	831617742	JYDQUGVRCUQOKL-UHFFFAOYSA-N	312.782	1.152	50	20	DDGD	
Cc1nnc(CNC(=O)[C@@]2(C)C[C@@H]2Br)n1C1CC1	907240992	VRIUIOJFRCDUIV-CABZTGNLSA-N	313.199	1.711	50	20	DDGD	
COc1cc(N2CCN(S(=O)(=O)CCl)CC2)ccc1F	831415904	CZHRWQGKHCOWTA-UHFFFAOYSA-N	322.789	1.482	50	20	DDGD	
COc1ccc([C@H](OC)[C@H](C)NS(=O)(=O)CCl)cc1	831020913	XCOLQDZGCLDZJE-JOYOIKCWSA-N	307.799	1.887	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NCCOC2CCC2)cc1	836330490	SWISOGWKDBFWDH-UHFFFAOYSA-N	322.365	1.600	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H]2CSc3ccccc32)nc1O	735686836	ABVYNNQMONOZLA-VIFPVBQESA-N	303.347	1.218	50	20	DDGD	
CCOc1ccc([C@@H](C)NCc2ccc(B(O)O)cc2F)cc1	585016853	BKLHYUFIRRWJKS-GFCCVEGCSA-N	317.169	1.755	50	20	DDGD	
COCC1(C(=O)NNC(=O)Cc2ccc(F)cc2)CCCC1	837312721	RZMOAPJASUDODM-UHFFFAOYSA-N	308.353	1.722	50	20	DDGD	
COCCCOc1ccc(C(=O)NNc2cc(C)ncn2)cn1	734255578	MJTCWBUKZRRMBO-UHFFFAOYSA-N	317.349	1.352	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)CCCc1cccnc1	834962564	JFLQEEOPBFFFJR-CQSZACIVSA-N	307.394	1.948	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@H]1CC12CCSCC2	831937100	LVJRNHSWFHVECW-LLVKDONJSA-N	306.391	1.190	50	20	DDGD	
Cn1cc(CCC=NNC(=O)Cc2cn3ccccc3n2)cn1	834962672	KQDANDTYVCAHNL-UHFFFAOYSA-N	310.361	1.345	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)CC(C)C)c2ncccc2c1	917724933	KNBUBOZTTDMNEH-UHFFFAOYSA-N	321.402	1.899	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2C[C@@H](CO)Cc3ccccc32)cn1	833142997	ZKSXRCGIQVFREN-CWSGUEHPSA-N	322.368	1.525	50	20	DDGD	
Cn1cc(CNC(=O)NNC(=O)c2c[nH]c3ccccc23)cn1	919792806	HSCSAMIKQXOVET-UHFFFAOYSA-N	312.333	1.046	50	20	DDGD	
CCC(=NNC(=O)[C@H]1COc2ccccc2O1)[C@@H]1CCOC1	741836606	DGTSLELMSKBHGO-IAQYHMDHSA-N	304.346	1.745	50	20	DDGD	
COc1ccc(NCC(=O)NN=C[C@H](OC)[C@H]2CCOC2)cc1	841602194	BGYAXEJJQMDYPI-WFASDCNBSA-N	321.377	1.261	50	20	DDGD	
Cc1ccn2cc(CNC(=O)NNC(=O)c3ccc[nH]3)nc2c1	918235430	OHXVWZCWVKBANJ-UHFFFAOYSA-N	312.333	1.115	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)[C@H]1C[C@@H]1c1cccc(F)c1	915513026	UGSHRLJIUFVEKT-MNOVXSKESA-N	302.327	1.214	50	20	DDGD	
O=C(NNc1ncncc1Cl)N[C@H]1CCCN2CCCC[C@H]12	848674952	MYYCKEKJFGIRAT-NWDGAFQWSA-N	324.816	1.773	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H]1CCc2ncncc2C1	843869295	MXWRXBBDZSWWEI-LLVKDONJSA-N	312.377	1.638	50	20	DDGD	
CCN(CC)c1ncc(C=NNC(=O)N2CCOCC2)s1	745601944	ADWOIJBFFPEUAT-UHFFFAOYSA-N	311.411	1.365	50	20	DDGD	
CCc1ncncc1C(=O)NNC(=O)c1ccc(Cl)cc1F	747329600	KTUGEIPWJHTDDT-UHFFFAOYSA-N	322.727	1.906	50	20	DDGD	
CC[C@H](N)CNC(=O)NNc1ccc(F)cc1Br	842004503	FNCBVTJYFVSKHJ-QMMMGPOBSA-N	319.178	1.952	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)[C@@H]1CCc2ncncc2C1	844134351	JQPHRKLZNRUTNT-MRVPVSSYSA-N	304.741	1.168	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)COc2ccc(C)cc2)[nH]1	747628845	WHFFPRIDILAHPK-UHFFFAOYSA-N	315.329	1.639	50	20	DDGD	
CC[C@@H](C#N)C(=O)NNc1c(F)cc(C(=O)NC2CC2)cc1F	845858141	DSKOOSFOQGEPEO-QMMMGPOBSA-N	322.315	1.850	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CSCC(=O)OC(C)C)c1	742453486	KPVBTIXKRFYWAT-UHFFFAOYSA-N	324.402	1.441	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNc1ncc(Br)cn1	848322490	DFEFREIAEADHDU-SFYZADRCSA-N	317.187	1.601	50	20	DDGD	
CCO[C@H](C)c1ncc(C(=O)NNC(=O)NCC2CC2)s1	742582724	BRVVXVQRPGYHAL-MRVPVSSYSA-N	312.395	1.595	50	20	DDGD	
CC(C[C@@H]1CCCC(=O)N1)=NNC(=O)COc1ccc(C)cc1	841608963	ONJBKEINFVJUMV-AWEZNQCLSA-N	317.389	1.925	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1cccc(COCC2CC2)c1	841083057	MRBOSBWZNULIJH-UHFFFAOYSA-N	320.393	1.505	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(F)c(F)c(F)c1)[C@H](C)S(C)(=O)=O	841409678	YAKVKCPPIOVSDB-RQJHMYQMSA-N	324.324	1.616	50	20	DDGD	
C[C@H](Cc1cnc[nH]1)C(=O)NNc1ccnc(Br)c1	847747051	JUZYHWHJADQGTE-MRVPVSSYSA-N	324.182	1.889	50	20	DDGD	
COCCOCC(C)=NNC(=O)c1ccc2c(c1)OCCO2	741162998	GQADIQVJIQHWKX-UHFFFAOYSA-N	308.334	1.227	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)NC[C@@H](N)C2CC2)cc1	841966029	NUYDGYCSQDFKPL-CYBMUJFWSA-N	322.434	1.155	50	20	DDGD	
Nc1ccc(C(=O)NN=Cc2ccc([N+](=O)[O-])c(O)c2)cc1	748130937	FVLBSUMLCFMQJT-UHFFFAOYSA-N	300.274	1.647	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1cnc(C)s1	748833753	CGBSLYDQZLOKNY-UHFFFAOYSA-N	320.374	1.333	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1CCNC(=O)NNC(=O)c1ncccn1	841584987	TZJQGBGTUAZWRO-VXGBXAGGSA-N	305.382	1.637	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1cccc(C(F)F)c1	843653039	CZFNZZCIINOERQ-SKDRFNHKSA-N	312.316	1.739	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)[C@@](C)(O)CC)cc1OC	929320541	YRWRGZDTCUHPID-INIZCTEOSA-N	324.377	1.406	50	20	DDGD	
O=C(COC(=O)[C@H]1C[C@H]1C1CC1)NNC(=O)c1cccs1	751747792	UHJSDGGHCGXNMM-UWVGGRQHSA-N	308.359	1.098	50	20	DDGD	
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NNc1ccc(Cl)nc1	757796819	UMZIAMOQKSGGDW-BXKDBHETSA-N	309.801	1.844	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1CCCN(CC(F)(F)F)C1	920822254	BSZIUIAWDYNHOU-SNVBAGLBSA-N	324.347	1.391	50	20	DDGD	
C[C@]1(CNC(=O)c2noc3c2COCC3)C[C@H]1Br	857868953	GWJNTVTYRNCREF-BXKDBHETSA-N	315.167	1.651	50	20	DDGD	
CCn1ccc(CNC(=O)NC[C@@]2(C)C[C@@H]2Br)n1	856863346	ILBWUKRVGMBBCS-CMPLNLGQSA-N	315.215	1.876	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2ccnn2CC2CC2)cs1	853272194	KRIUELLFCCRISU-UHFFFAOYSA-N	303.391	1.751	50	20	DDGD	
CCC1(C(=O)NN(C)C(=S)NCCCOC)CCOCC1	854283961	RIQUXPVAULYYLK-UHFFFAOYSA-N	317.455	1.067	50	20	DDGD	
O=C(Cc1noc2ccccc12)NNC(=O)OCC(F)(F)F	856025420	STXKIBZESDNAHK-UHFFFAOYSA-N	317.223	1.690	50	20	DDGD	
CCC/C(C)=C/C(=O)NNC(=O)CNC(=O)c1cccs1	751211781	KSPKNACKJVTSEF-CSKARUKUSA-N	309.391	1.372	50	20	DDGD	
Cc1nn(C(C)(C)C)c(C)c1C=NNC(=O)C(=O)NC(C)C	755611945	QYUVFGGOXFGFLE-UHFFFAOYSA-N	307.398	1.230	50	20	DDGD	
Cc1cc(F)ccc1C=NNC(=O)[C@H](C)CN1CCOCC1	750934728	IAWUGMOPHBYXQV-CYBMUJFWSA-N	307.369	1.553	50	20	DDGD	
COCc1csc(CNC(=O)/C(C#N)=C/c2cnn(C)c2)c1	855779323	NGWAIZAOKFBVJF-QLKAYGNNSA-N	316.386	1.851	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(C)nc2onc(C(C)C)c12	854925153	CZJVWSBFPINUEM-UHFFFAOYSA-N	321.406	1.736	50	20	DDGD	
O=C(C1CCC(Cl)CC1)N1CCN(c2cnccn2)CC1	1350880734	DBEHQZLIVKBSIE-UHFFFAOYSA-N	308.813	1.923	50	20	DDGD	
C[C@H](C(=O)NNc1ccnc(Cl)c1)N1CCSCC1	855465526	RDWGDPBHGYEOTB-SECBINFHSA-N	300.815	1.615	50	20	DDGD	
Cc1ccc(-n2[nH]nnc2=NC[C@]2(C)C[C@H]2Br)cc1	856786700	QSQGVGRWIFRXHU-YPMHNXCESA-N	322.210	1.978	50	20	DDGD	
O=C(NCCOC[C@H]1CCOC1)NNc1ccc(Cl)cn1	852088905	PEDHAUPGPQDNIV-JTQLQIEISA-N	314.773	1.414	50	20	DDGD	
CCOc1cncc(C=NNC(=O)Cn2nc(C)cc2C)c1	857207880	LXZFSWXUUZPFSG-UHFFFAOYSA-N	301.350	1.444	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1Cl	858093067	QVVYKDWDYXDHJD-LDYMZIIASA-N	324.768	1.010	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H](C)Oc1ccc2c(c1)CCC2	854926090	VCAFDRPNMKJSBH-SNVBAGLBSA-N	307.419	1.410	50	20	DDGD	
Cc1nnc2n1C[C@H](C(=O)NNc1ccc([N+](=O)[O-])cc1)CC2	750786106	AVIFUVYJJASMKX-SNVBAGLBSA-N	316.321	1.200	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1c(F)cccc1F	752788306	DYAXNFVDYZIYGW-UHFFFAOYSA-N	305.284	1.838	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cnc2n1CCCC2)C1CC1	855100312	ZHZLMJNXHQQCNU-SECBINFHSA-N	307.423	1.127	50	20	DDGD	
COCCN(C)NC(=O)[C@@H](CN1CCCC1)c1ccccc1	854414211	XGHIVEKSSPKPTL-INIZCTEOSA-N	305.422	1.475	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1C(=O)NNC(=S)NCC1CCC1	855092265	XLVIXDNBQJMHRK-UHFFFAOYSA-N	323.466	1.627	50	20	DDGD	
CC1(C)CC(=NNC(=O)CN2CCCC2=O)c2ccccc2O1	751520246	GOCUAKUYMUIGFU-UHFFFAOYSA-N	315.373	1.690	50	20	DDGD	
Cc1ccc(F)cc1C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	853389407	HSTKWSRYONWJGB-CABCVRRESA-N	305.353	1.447	50	20	DDGD	
CC(CN1C(=O)CCC1=O)=NNC(=O)Cc1ccc(Cl)cc1	754914639	WGVGSLPSJOZLJS-UHFFFAOYSA-N	321.764	1.524	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)CCc2ccccc2)ncn1	757761813	BLNAHVXIYJNEKI-UHFFFAOYSA-N	315.333	1.271	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)NNC(=O)c2cccc(F)n2)[C@H](C)C1	852109152	WPJJSZLPILAFQO-MXWKQRLJSA-N	308.357	1.989	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1ccc2c(c1)CCC(=O)N2C	754705838	AINFKHUQEKYUIP-UHFFFAOYSA-N	323.356	1.540	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2cc(C)n(C)n2)cc1	757754757	VRKSLHSSWHJVGG-UHFFFAOYSA-N	317.349	1.269	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CCCN2C(C)C)cc1	935858278	TZJDURIIZBEHAL-AWEZNQCLSA-N	320.393	1.721	50	20	DDGD	
CCc1ccc2occ(C(=O)NNC(=O)[C@H]3CCC(=O)N3)c2c1	862462236	OQQLDLGWKSTPIM-GFCCVEGCSA-N	315.329	1.035	50	20	DDGD	
COc1ccc2oc(C(=O)N3CC[C@H](B(O)O)C3)c(C)c2c1	864234147	NQDISXQSHYVAAB-JTQLQIEISA-N	303.123	1.439	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NN=c2cc[nH]c(C)c2)C1	862511703	YLIYKYYAAIKUOQ-GXTWGEPZSA-N	318.421	1.540	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H](O)[C@@H]2CCCC[C@H]21)C1CCCC1	868539614	ZIPAXHDETCJLFX-MCIONIFRSA-N	309.410	1.543	50	20	DDGD	
CCO[C@@H](CC(=O)NNC(=S)NCCSC)C(C)C	769767940	BJVHFXLSWVBHPS-JTQLQIEISA-N	307.485	1.296	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)N[C@H]1CCC(F)(F)C1	763707992	PHIZPWGGICRBBR-JTQLQIEISA-N	315.295	1.886	50	20	DDGD	
COc1cc(C)c(C=NNC(=O)c2cc(C)[nH]n2)cc1OC	764794774	IBNHHEPKYCLFGN-UHFFFAOYSA-N	302.334	1.808	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2c(C)nc3sc(C)cn23)n[nH]1	767414663	GTJASOIPIWTJPW-UHFFFAOYSA-N	316.390	1.737	50	20	DDGD	
Cc1ccc(N2CCCC2)c(C(=O)NNC(=O)c2cn[nH]c2)c1	862471802	OLCUUFXEKRCBMV-UHFFFAOYSA-N	313.361	1.393	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(Cl)c(OC)c1	863100656	URNVQWDTBSTHNO-SNVBAGLBSA-N	314.769	1.850	50	20	DDGD	
O=C(NNc1ccc(F)c(Cl)c1)[C@H]1CCCS1(=O)=O	863082729	RFGJEOMVKDDWOE-SNVBAGLBSA-N	306.746	1.499	50	20	DDGD	
Cc1cc(C(=O)OCC(=O)NNC(=O)c2ccccc2)ns1	769313397	MNIPUDVGSZTMPZ-UHFFFAOYSA-N	319.342	1.070	50	20	DDGD	
Cc1csc(CCCC(=O)NNC(=O)Cc2cc(C)[nH]n2)n1	869017034	XBOJWDMFFVZVGQ-UHFFFAOYSA-N	321.406	1.196	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C(C)(C)Oc1ccccc1	1116637705	ASZFJESVJQCUSN-NSHDSACASA-N	322.361	1.333	50	20	DDGD	
CC(=O)N[C@H](CC(=O)NNc1ncc(F)cn1)c1cccs1	760922564	JTFGVVUUUONUEU-SNVBAGLBSA-N	323.353	1.388	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2cncnc2)c1C	760800960	SBDNEIWRSWUUOM-UHFFFAOYSA-N	301.375	1.725	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2nc(-c3cccnc3)no2)CCC1=O	764127192	RMQZPUFZZRCTMF-NXEZZACHSA-N	315.333	1.580	50	20	DDGD	
CC(C)n1cc2c(n1)[C@H](NCc1cccc(B(O)O)c1)CCC2	877376707	XVTOYERMJPXZKM-MRXNPFEDSA-N	313.210	1.311	50	20	DDGD	
Cc1c(C(=O)O)cccc1S(=O)(=O)N1CC=C(C#N)CC1	871934506	ICMCKKAAGPEIEC-UHFFFAOYSA-N	306.343	1.538	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)C2(F)CCOCC2)n1	879172797	SKROXUBPDPHUEP-UHFFFAOYSA-N	311.361	1.285	50	20	DDGD	
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NNC(=S)Nc1ccccn1	874957654	RUDSSXOPKNBJKA-NXEZZACHSA-N	308.407	1.603	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1nc(Br)cs1	779824388	QRBQWKCCQALUOI-UHFFFAOYSA-N	318.131	1.592	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2cc(Cl)ccc2F)CC1	871271423	ONLCSXGBJVZTKC-UHFFFAOYSA-N	306.746	1.499	50	20	DDGD	
CNC(=O)[C@H]1CCC[C@H]1NC(=O)NNc1c(C)cccc1F	771343967	KAEHUXZCIMJAJW-CMPLNLGQSA-N	308.357	1.675	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNC(=O)Nc1nccs1	875400651	QBUYDCTVNQDOBF-UHFFFAOYSA-N	317.330	1.246	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@@H](n2cncn2)C1	777063979	SWMRHXHKIXDUEF-GFCCVEGCSA-N	322.800	1.417	50	20	DDGD	
Cc1ccc2cccnc2c1S(=O)(=O)NNC(=O)C(C)(C)C	777917236	JNHNHGSFHPQBIT-UHFFFAOYSA-N	321.402	1.899	50	20	DDGD	
C[C@H](CBr)CN1CCN([C@H]2CCCN(C)C2)CC1	770667309	PHGPEKXLWIFBAP-KGLIPLIRSA-N	318.303	1.729	50	20	DDGD	
CCNC(=O)CCC(=O)NNc1nc2ccccc2cc1C	777477367	KUPZVINESQANOS-UHFFFAOYSA-N	300.362	1.903	50	20	DDGD	
Cc1cc2c(cc1C)[C@@H](C(=O)NNC(=O)NCC1CC1)CO2	770223845	SWRFSKOTHIUKEO-ZDUSSCGKSA-N	303.362	1.520	50	20	DDGD	
Cc1nc(O)c(C(=O)NN(C)C(N)=O)cc1-c1ccccc1	778411443	FGSPICQYLGLVKN-UHFFFAOYSA-N	300.318	1.418	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2ncc(C3OCCO3)s2)o1	773057744	HTOQPMXLQRCNFP-UHFFFAOYSA-N	307.331	1.854	50	20	DDGD	
CCC(=NNC(=O)NCC(=O)OC)c1ccc2c(c1)OCCO2	779818217	XRZDWDHCSHCWGO-UHFFFAOYSA-N	321.333	1.044	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(OC(F)F)cn2)nc(C)n1	776152206	BMKIZVUREFWRCY-UHFFFAOYSA-N	309.276	1.847	50	20	DDGD	
CCC(C)(C)NC(=S)NNC(=O)COc1ccc(C#N)cc1	774141159	VYXJDBMIOGYKFR-UHFFFAOYSA-N	320.418	1.621	50	20	DDGD	
CC(C)(C)C(=O)C(=O)NNc1ccnc(Br)c1	771531704	DPYWWHCDIKXWOA-UHFFFAOYSA-N	300.156	1.902	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)CCCn2cccn2)c1	776536996	GLEXGPHBSDBJST-UHFFFAOYSA-N	322.390	1.210	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C12CC3CC(CC(C3)C1)C2	771889390	HZTBFAHVQAQJIX-DKHPWKACSA-N	322.405	1.692	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1CNC(=O)NNC(=O)Cc1ccc(F)cc1	774790636	VVHGQIWYRZOPGM-TZMCWYRMSA-N	323.368	1.514	50	20	DDGD	
C[C@H](CCc1cccc(F)c1)C(=O)NNC(=O)C1CCOCC1	883065025	XGBGYOCDYHUIFG-GFCCVEGCSA-N	322.380	1.968	50	20	DDGD	
COc1cccc(C)c1NC(=O)C(=O)NNc1cc(C)ncn1	773660093	OOTKWRWMTFVOAS-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1ccc(OC(F)F)cc1	887139247	HCFFSHLISNRFAW-UHFFFAOYSA-N	310.300	1.781	50	20	DDGD	
CS[C@H]1CC[C@H](NC(=O)NNC(=O)C2CCOCC2)C1	883472412	BMXNPUMNAMSSAS-QWRGUYRKSA-N	301.412	1.028	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(F)(F)Oc1ccc(C=O)cc1	887143193	PFVHBGLDBYPYJB-UHFFFAOYSA-N	324.283	1.422	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]1c1c(F)cccc1F)C1CCOCC1	883064055	NJPKTINATBJAJP-MNOVXSKESA-N	324.327	1.642	50	20	DDGD	
CC(C)C(=O)NNC(=O)Cn1cc(-c2cc(F)ccc2F)nn1	881299448	KPDSQEYTJNMUON-UHFFFAOYSA-N	323.303	1.027	50	20	DDGD	
COC1CCC(=NNC(=O)COc2ccc(C#N)cc2)CC1	783799660	PVGOAXDUTWNKNY-UHFFFAOYSA-N	301.346	1.998	50	20	DDGD	
COc1ccc(NNC(=O)NCCC(=O)NC(C)(C)C)nc1	780977045	FTOKHALBAJKKGV-UHFFFAOYSA-N	309.370	1.021	50	20	DDGD	
C[C@H]1CN(Cc2ccccn2)CCC1=NNC(=O)C(C)(C)O	785459593	BHNUWROHRBGMHX-LBPRGKRZSA-N	304.394	1.167	50	20	DDGD	
CS(=O)(=O)c1ccccc1CC(=O)NNc1ccccc1	786414222	VPBLIDXZPKWKRM-UHFFFAOYSA-N	304.371	1.776	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCC(=O)NCc1ccc(C#N)cc1	786666546	QBNWPDSUSVVBTR-CHHVJCJISA-N	309.325	1.578	50	20	DDGD	
CC[C@H](C)n1nc(NC(=O)C(=O)NNc2ccccn2)cc1C	784792114	SWHFWAJODWQGST-JTQLQIEISA-N	316.365	1.639	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@H]2CC[C@H](C)C2)c1	780799317	GSSBYDUUFAMXMD-STQMWFEESA-N	305.378	1.893	50	20	DDGD	
Cn1cc(Cl)cc1C(=O)NNC(=O)COc1ccccc1O	788317264	ZYNKCCIWYSIDQD-UHFFFAOYSA-N	323.736	1.224	50	20	DDGD	
COC(=O)c1cccc(/C=C(\C#N)C(=O)[C@@H]2CCCOC2)n1	899370809	BGCMZIOQTLMMAW-OYGDSYQHSA-N	300.314	1.771	50	20	DDGD	
CCOC(=O)N(C)CCCC(=O)NNc1cc(C)nc(C)n1	896458715	NRVYCRWPPGAHBK-UHFFFAOYSA-N	309.370	1.405	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@@H]2CCCCN21)NC1CCCCC1	899940528	PLBKOHOXKQWLBQ-KBPBESRZSA-N	308.426	1.666	50	20	DDGD	
Cn1c(Cl)cnc1C=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1	799472336	RJJFXQLFPQMVEN-UHFFFAOYSA-N	322.712	1.328	50	20	DDGD	
CSSCCNC(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1	790879074	NHLKUVINXOLZQC-GHMZBOCLSA-N	319.496	1.944	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)CNc1ccc(C)cc1C	794907532	XQKGCYWJUKUMTM-LRDDRELGSA-N	321.421	1.924	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2ccc(N3CCCCC3)o2)CC1	790173711	MLNDHTAIVHYMGY-UHFFFAOYSA-N	319.409	1.561	50	20	DDGD	
CC(C)(C(=O)NNC(=O)Cc1cn2ccccc2n1)C(F)F	791619504	DDWZJULMLXKAIF-UHFFFAOYSA-N	310.304	1.316	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCCC[C@@H]1CC	793552768	BSBYDYKOVYXIGJ-WCQYABFASA-N	311.426	1.655	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)c1cc(Br)c[nH]1	794888720	BIUDYGMPKHOZSM-LLVKDONJSA-N	318.171	1.353	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)CCCN1C(=O)CCC1=O	799756913	LISIHXVTJDLELQ-UHFFFAOYSA-N	317.389	1.930	50	20	DDGD	
CO[C@@H]1CCN(C(=O)NNC(=O)c2cccc(C#N)c2)[C@@H](C)C1	799369303	OLSMHMMARQFCPD-SMDDNHRTSA-N	316.361	1.412	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)Nc1cncc(F)c1	799235658	JHYBMKDSLCGTKU-UHFFFAOYSA-N	318.308	1.590	50	20	DDGD	
CC(C)C(=O)NNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-]	790482703	AZNAUNYXKLCNLA-UHFFFAOYSA-N	317.704	1.733	50	20	DDGD	
C[C@@H](CNS(=O)(=O)CBr)Oc1ccccc1	272760180	CEUKZBSNVZJFDO-VIFPVBQESA-N	308.197	1.726	50	20	DDGD	
Cc1nnc(-c2ccccc2C(=O)NNc2ncncc2F)o1	1324359592	MFFIAQQDACLOEY-UHFFFAOYSA-N	314.280	1.731	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2CCC[C@@H]2CCO)cc1	1320619052	SYQPBXGSIZYJHH-BXUZGUMPSA-N	321.377	1.190	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCSC1)c1n[nH]c2c1CCCC2	1323918824	UFZQHULLUZNECO-VIFPVBQESA-N	308.407	1.193	50	20	DDGD	
OB(O)c1cccc(CNc2cccc(CN3CCCC3)c2)c1	1331674875	WETJESBEXDMYRG-UHFFFAOYSA-N	310.206	1.574	50	20	DDGD	
Cc1nnc(O)c(CNC(=O)[C@@]2(C)C[C@@H]2Br)c1C	1333254797	XKXHWGVQVVVONO-CABZTGNLSA-N	314.183	1.589	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1)N[C@@H]1C[C@@H]2CC[C@H]1O2	1251674742	KCIZUCHGSGHFTP-QJPTWQEYSA-N	309.753	1.604	50	20	DDGD	
COCCN(C)NC(=O)c1cc(-c2ccc(OC)cc2)on1	1332070226	UCORLPMMDLWHNO-UHFFFAOYSA-N	305.334	1.573	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc[nH]n2)c(C)n1CC1CC1	1261773786	KVDWKPHWVULMAG-UHFFFAOYSA-N	301.350	1.313	50	20	DDGD	
O=C(CCCC(F)(F)F)NNC(=O)c1n[nH]c2c1CCCC2	1341603529	MFCQAXUWUDJJOY-UHFFFAOYSA-N	318.299	1.782	50	20	DDGD	
N#Cc1cccc(C2(C(=O)NNC(=O)[C@@H]3CCCCO3)CC2)c1	1348313297	QCRQEMYKWDMIEL-AWEZNQCLSA-N	313.357	1.306	50	20	DDGD	
C=CC[C@H](CC)NC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1347953336	UJSWNHSKRFSJPN-KWBADKCTSA-N	317.227	1.747	50	20	DDGD	
O=C(NNC(=O)c1ccn(CC(F)(F)F)n1)NC1CCCC1	1353550358	XZSFJGLLLMFRQB-UHFFFAOYSA-N	319.287	1.332	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2cccc(C(=O)O)c2F)CCN1	1609844454	KRZURCOCEOJVMR-RKDXNWHRSA-N	310.329	1.291	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)NCc2ccccn2)cc1	1602127933	GESRBSNYTKGNAL-UHFFFAOYSA-N	300.318	1.535	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@](C)(CC(=O)O)C1CC1	1603612554	CLMKJTIITCZVAC-GFCCVEGCSA-N	311.831	1.814	50	20	DDGD	
O=C(CCc1ocnc1C(=O)O)NNc1ccc(F)c(F)c1	1601296451	DNSPREUHIDMTPX-UHFFFAOYSA-N	311.244	1.727	50	20	DDGD	
Cc1ccc(NNC(=O)COC[C@@H]2CCCO2)cc1C(=O)O	1607810252	VXRIJNUXRPCBJN-LBPRGKRZSA-N	308.334	1.332	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)C12CCC(C(=O)O)(CC1)C2	1600760005	CMWBHOKBLFAGHF-UHFFFAOYSA-N	323.374	1.248	50	20	DDGD	
O=C(O)C[C@@H]1CC[C@H](NC(=O)NNc2cncc(Cl)n2)C1	1602112090	LXCAEALALUDPBM-SFYZADRCSA-N	313.745	1.400	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cnn(C3CC3)c2)c(F)c1	1608904667	CXILMBVAFLEMGD-UHFFFAOYSA-N	304.281	1.812	50	20	DDGD	
O=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)CCCCCl	1602208745	UBYXJPHPVRLAGE-LBPRGKRZSA-N	319.810	1.621	50	20	DDGD	
CC1(C)C[C@H](NC(=O)NNc2ccc(C(=O)O)c(F)c2)CO1	1604515657	OBFKQGZZNUIRHU-VIFPVBQESA-N	311.313	1.718	50	20	DDGD	
O=C(O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CCCI	1610735561	HZGHFXIOUNCBHZ-BBBLOLIVSA-N	323.174	1.997	50	20	DDGD	
COc1cccc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)c1	1549316405	RTMJYWVHGCZMLL-ZFWWWQNUSA-N	303.362	1.009	50	20	DDGD	
C[C@H]1NCCC[C@H]1NC(=O)NNC(=O)c1ccccc1Cl	1579498146	NAGOWJQQLWURJZ-BXKDBHETSA-N	310.785	1.425	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)OCC(=O)CCC(=O)O	1589698576	CSXJOPKRZNAOAK-VIFPVBQESA-N	309.156	1.773	50	20	DDGD	
C[C@@]1(C(=O)NNc2ncccc2C(=O)O)C[C@@H]1Br	1589181051	BKWOKUCFDHKOHC-WRWORJQWSA-N	314.139	1.396	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cccnc1)C2	1845163569	FLUBJSLDNUBOLZ-ZDUSSCGKSA-N	321.808	1.916	50	20	DDGD	
Cc1csc(NC(=O)NNC(=O)C(C)C)c1-c1nn[nH]n1	1592321297	OWIBMVXFGHEUIB-UHFFFAOYSA-N	309.355	1.045	50	20	DDGD	
CCCCCCNC(=O)/C(C#N)=C\c1cc(C(=O)O)nn1C	1776789336	YTMAIHOGIDITMW-FLIBITNWSA-N	304.350	1.722	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)O)c(F)c1)c1ccccc1O	1776017582	MPFCKNDNKXOHCC-UHFFFAOYSA-N	302.261	1.993	50	20	DDGD	
O=C(O)/C=C/c1ccc(C=NNC(=O)Cc2ccccc2O)o1	1776094242	ITJNAFMKRDOYNM-QJJYUKFBSA-N	314.297	1.776	50	20	DDGD	
O=C(O)/C=C/c1ccc(C=NNC(=O)CNc2ccccc2)o1	1776016254	MRAZVXZZYCAQMG-ADISOYNLSA-N	313.313	1.940	50	20	DDGD	
O=C(COC(=O)c1ccccc1)NNC(=O)c1cccs1	5128301	LSHUDIDITBDFNR-UHFFFAOYSA-N	304.327	1.366	50	20	DDGD	
COc1ccc(C=NNC(=O)c2ccncc2)cc1[N+](=O)[O-]	13144910	SPFSZOZBGDUFQH-UHFFFAOYSA-N	300.274	1.762	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(N2CCN(C)CC2)cc1	158623400	JPUSYHDPEQAKPC-YPKPFQOOSA-N	314.389	1.821	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc3cc(F)ccc3[nH]2)[nH]n1	151152649	KAMILCLJUPBQDY-UHFFFAOYSA-N	301.281	1.413	50	20	DDGD	
CCCCCCCC(=O)NNC(=O)C(=O)Nc1ccccn1	152062731	YWTJYKSGIASTCZ-UHFFFAOYSA-N	306.366	1.528	50	20	DDGD	
Cc1ccc(O[C@H](C)C(=O)NNC(=O)c2cc(C)n[nH]2)cc1	153215233	RQOTUJKBEVLYLK-LLVKDONJSA-N	302.334	1.255	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C1=CCCC1	157211036	SKHSOICUINCWHL-UHFFFAOYSA-N	304.346	1.722	50	20	DDGD	
N#Cc1ccc(NNC(=O)Nc2ccc(C(N)=O)c(F)c2)cc1	159496002	XAMTYBAKJIYMDV-UHFFFAOYSA-N	313.292	1.945	50	20	DDGD	
CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)/C(C#N)=C/OCC)C1	159165416	ZZVXRWYKVZAGJO-JZMJITHDSA-N	321.421	1.974	50	20	DDGD	
O=S(=O)(CBr)NCCc1cc(F)cc(F)c1	127431345	DQOBFKCUBKFIGU-UHFFFAOYSA-N	314.151	1.779	50	20	DDGD	
CC[C@H](O)[C@H]1CCCCN1S(=O)(=O)CBr	782462776	MEEPHVGUMAYINZ-BDAKNGLRSA-N	300.218	1.294	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)[C@@H]1C[C@H]1c1ccco1	106286899	CMPZBIQLYIXFPZ-CHWSQXEVSA-N	314.341	1.869	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cnc(C(C)(C)C)s2)cn1	117678513	JWAXGYSOSZSOBR-UHFFFAOYSA-N	307.379	1.249	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNC(=O)Cc1ccc(F)cc1	104137434	OSVYBRFHDHYQDI-CQSZACIVSA-N	307.369	1.390	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)CC[C@H]2CCCCO2)c1	110165956	MTNWBCCOUHBHDK-OAHLLOKOSA-N	319.405	1.863	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1ccccc1[N+](=O)[O-])C1CCCC1	55081585	VYVRHMQTFFKBGO-AWEZNQCLSA-N	320.349	1.733	50	20	DDGD	
CCn1c(NNC(=O)[C@@H]2CCCO2)nc2ccccc2c1=O	25406792	CPEXXGUBQPVROS-LBPRGKRZSA-N	302.334	1.039	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cscc2C)c1O	175242608	OPRPJJAFJAZRBD-UHFFFAOYSA-N	306.343	1.846	50	20	DDGD	
CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)NNc1ncccn1	118588790	HEUOHAKMQKPHBU-NEPJUHHUSA-N	307.398	1.944	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F	113459758	DHRFMKXEPXUUNZ-QWRGUYRKSA-N	311.357	1.750	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C[C@H](C)C2CC2)cc1OC	63662212	AFSRVIABJFKYRY-JTQLQIEISA-N	306.362	1.901	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C1[C@@H]2CCC[C@@H]12	178076476	PZPWUWIIMVJZBF-CHWSQXEVSA-N	302.374	1.821	50	20	DDGD	
COc1ccc(-c2n[nH]cc2C(=O)NNc2ncccn2)cc1	173325370	VNKQZVBQJPORAU-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)[C@@H]1COCCO1	178036051	BXLRQTFRCCSMNT-JTQLQIEISA-N	306.240	1.444	50	20	DDGD	
CCOC(=O)NNC(=O)Cc1cccc(Br)c1	124323321	YVYJTTQNZXXJGY-UHFFFAOYSA-N	301.140	1.769	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1c(C)noc1C	60911673	YPLUWKUKCLVKQY-UHFFFAOYSA-N	303.318	1.304	50	20	DDGD	
COCCn1nc(C)c(NC(=O)NNc2ncccn2)c1C	121084250	FBYVZSRDKYRUCT-UHFFFAOYSA-N	305.342	1.085	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)Cc2ccccc2F)CCCO1	126442983	HYCKMEOOYRACNY-HNNXBMFYSA-N	309.341	1.268	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@H]1CC(c2ccccc2)=NO1	122850604	VXEIYVKJCMVKQA-GFCCVEGCSA-N	301.281	1.252	50	20	DDGD	
Cc1cccc(NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c1C	122127283	BXCFCJHQCZBUDW-AWEZNQCLSA-N	311.407	1.507	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2cnc3ccccc3n2)cc1O	188861289	MIVQNFWYZJYJNW-UHFFFAOYSA-N	305.297	1.964	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Nc1ccnc(C)c1	183436927	LFIQUTXHLGHQMV-UHFFFAOYSA-N	314.345	1.794	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@H](C(=O)NNc2ccnc(F)c2)C1	182468845	GHRMQUOKGIKKPE-NSHDSACASA-N	322.384	1.949	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Nc2cc(C)on2)c1	78263339	GJCPHKAGXGRTCJ-UHFFFAOYSA-N	304.306	1.523	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1ccc(C#N)cc1	79532798	FWABNAMQTYFCEY-GWCFXTLKSA-N	302.334	1.129	50	20	DDGD	
Cc1conc1NC(=O)C(=O)NNc1cccc2c1CCCC2	189213651	AVCIVKPAGLPCRR-UHFFFAOYSA-N	314.345	1.944	50	20	DDGD	
COc1ccc(F)cc1CC(=O)NNC(=O)c1cccn1C	185278490	WYOIIYDUZNFLKX-UHFFFAOYSA-N	305.309	1.177	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CCc2ccccc2)cc1O	188408517	UANITWYXVUZWDP-UHFFFAOYSA-N	309.325	1.658	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)Cc2cc[nH]n2)c(C)c1	184799801	YPWVISLGXISGDT-UHFFFAOYSA-N	303.322	1.122	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(C(C)(C)C)nn1C	131731654	LROIVYSKTZTIJE-UHFFFAOYSA-N	304.354	1.273	50	20	DDGD	
COc1cc(CC(=O)NNc2nccnc2OC)ccc1C	131810549	ZODTZUOWYZCUSB-UHFFFAOYSA-N	302.334	1.488	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(C#N)cc1)N(C)CC(F)(F)F	193634830	QUWMCHBNCCCYGT-VIFPVBQESA-N	300.284	1.884	50	20	DDGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cn(C)c(=O)n(C)c1=O	193347584	BLGGJDHNTXMUMQ-UXBLZVDNSA-N	315.354	1.244	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCC(=O)NC2CC2)cc1	43752132	GXTSPNQMPFVVCC-UKTHLTGXSA-N	313.357	1.387	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1ccc(F)c(F)c1F	49275413	FABHTMLCPUSIRT-UHFFFAOYSA-N	311.285	1.006	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNc2ccnc(F)c2)cc1	190295192	FPCAVXDOEQJADQ-UHFFFAOYSA-N	318.308	1.701	50	20	DDGD	
Cc1cn2c(=O)c(C(=O)NNC(=O)CC(C)(C)C)cnc2s1	89439873	FYMQIVZFLVGZGY-UHFFFAOYSA-N	322.390	1.262	50	20	DDGD	
COCCCNC(=O)NNC(=O)/C=C/SCc1ccco1	267958496	XMDUULLMIVBNAX-WEVVVXLNSA-N	313.379	1.393	50	20	DDGD	
CN1CCC[C@@H]1CNC(=O)NNC(=O)C(C)(C)c1ccccc1	264529636	WYQMGVHFWIEMFV-CQSZACIVSA-N	318.421	1.389	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc(Br)cn1	263861599	SUUYRXMKQHFMQF-UHFFFAOYSA-N	300.156	1.651	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)COc1cccc(C)c1)C1CC1	269653089	HESCQWLBDPNCJG-AWEZNQCLSA-N	321.377	1.129	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H](c2ccco2)C1	364561159	AUNJPTVBTNQROE-ZDUSSCGKSA-N	314.345	1.447	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCCCCS(C)(=O)=O	276753010	MTUKUTACZWGQDS-UHFFFAOYSA-N	314.411	1.231	50	20	DDGD	
COc1cccc(NNC(=O)C2CN(C(=O)OC(C)(C)C)C2)n1	273190623	GRBUTRGKBKQEFE-UHFFFAOYSA-N	322.365	1.400	50	20	DDGD	
CC(C)OC[C@H]1CN(CCI)CCO1	368977452	GWFUJGFUIARCOZ-SNVBAGLBSA-N	313.179	1.547	50	20	DDGD	
COc1cccc(COC[C@@H](O)CN2CC=C(C#N)CC2)c1	272589177	FTPWAMYLQSQNAJ-INIZCTEOSA-N	302.374	1.728	50	20	DDGD	
C=C(CBr)CN1C[C@H](N2CCOCC2)C[C@@H]1C	368509233	YUBQOJCRBKORHH-QWHCGFSZSA-N	303.244	1.733	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(CNC(=O)C=C(C)C)cc1	274295937	OVFKMLCOHCMHRC-UHFFFAOYSA-N	305.334	1.270	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@]12CCOC2)c1cc2ccccc2o1	364720125	WPRHXLCSHBWFJL-BDJLRTHQSA-N	300.314	1.620	50	20	DDGD	
CN(CC1(O)CCCCCC1)S(=O)(=O)CBr	368792076	ULINSXNXGMXQPO-UHFFFAOYSA-N	314.245	1.686	50	20	DDGD	
CCCOc1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)cc1	273763105	UAHPAIOADUAHDG-UHFFFAOYSA-N	321.377	1.607	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCCCS1	272916779	FDTQUQNDPZYDCZ-ZDUSSCGKSA-N	324.402	1.507	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1c1ccccc1)c1cccnc1	376087116	XFFPPDRUVLCQNK-HNNXBMFYSA-N	310.357	1.512	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1	286272792	IFURQEREPSPNLG-DGCLKSJQSA-N	319.361	1.326	50	20	DDGD	
COc1cc(OC)c(NC(=O)NNC(=O)C(F)F)cc1Cl	283741253	ZGIJGFXKSBVWLO-UHFFFAOYSA-N	323.683	1.775	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@@](O)(C2CC2)C1	373254215	GYCGCOXEQYWFFD-HNNXBMFYSA-N	311.813	1.726	50	20	DDGD	
CC(=O)NNC(=O)C1(c2cc(F)cc(Br)c2)CC1	286078592	KABLSLRWUGBSPZ-UHFFFAOYSA-N	315.142	1.787	50	20	DDGD	
CCCNC(=O)CCC(=O)NNc1ccc2c(O)nccc2c1	285735338	PFEXXDGQYMHBHA-UHFFFAOYSA-N	316.361	1.690	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)O1	282868871	RJLQHBICIQPXCI-OLZOCXBDSA-N	319.361	1.039	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNc2ccc(C(=O)OC)cn2)o1	293601643	XWNYTNNCXFAXBR-UHFFFAOYSA-N	318.333	1.874	50	20	DDGD	
CN(C)c1ccc(C2(C(=O)NNc3ncncc3F)CC2)cc1	294013268	MVUVFHQTNSEAHW-UHFFFAOYSA-N	315.352	1.857	50	20	DDGD	
CCC[C@@H](C(=O)NNC(=O)Cc1cc[nH]n1)c1ccccn1	806808730	LXUAUCYVJWWALN-GFCCVEGCSA-N	301.350	1.079	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=O)NCC(F)(F)F)cc1	299085331	SCURKPWBKCQUMV-UHFFFAOYSA-N	318.255	1.151	50	20	DDGD	
O=C(NCCCCCN1CCCC1)NNC(=O)c1ccccc1	297499404	QCURNEPIYMMGDU-UHFFFAOYSA-N	318.421	1.897	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC1(F)F)c1cc(-c2cccs2)n[nH]1	294892716	IWSMIJLQQBTLQU-LURJTMIESA-N	312.301	1.554	50	20	DDGD	
NC(=O)Cc1occc1C(=O)NNc1ccc(F)c(F)c1F	802827294	ZLLKSZUWUVAFAU-UHFFFAOYSA-N	313.235	1.482	50	20	DDGD	
C[C@H]1CCc2ccccc2[C@H]1NC(=O)NNC(=O)[C@@H]1CCCO1	292664417	QUHQAWHAYSHVBU-CQDKDKBSSA-N	317.389	1.819	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)[C@H](C)N(C)C)c1	802110627	MCHDGDXNXGZBOV-QMMMGPOBSA-N	314.773	1.451	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2snnc2C)s1	293424318	NXFCPWGWXBMROX-UHFFFAOYSA-N	311.392	1.361	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)N1CCc2cc(F)ccc21	802565021	UKFPMRZSIGNEMZ-UHFFFAOYSA-N	300.293	1.253	50	20	DDGD	
O=C(NCCn1cccn1)NNc1ccc2c(=O)[nH]ccc2c1	806816064	IDVHQUBJPUJCAT-UHFFFAOYSA-N	312.333	1.051	50	20	DDGD	
CCOc1ccc(NNC(=O)Cn2c(C)cc(O)cc2=O)cc1	294308098	KPBZXVUXLUNQIA-UHFFFAOYSA-N	317.345	1.404	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CCC(F)(F)F	807368319	BZJJKUCMBACYAJ-UHFFFAOYSA-N	300.277	1.266	50	20	DDGD	
O=C(NNC(=O)c1ccccc1OCC1CC1)c1ccnnc1	817694286	XCXUTRRRFIEYGI-UHFFFAOYSA-N	312.329	1.340	50	20	DDGD	
COc1cc(C=NNC(=O)N=c2cc[nH]cc2)cc(OC)c1	815000799	SHAZOBNBWMQVMV-UHFFFAOYSA-N	300.318	1.676	50	20	DDGD	
O=C(NNc1ncncc1F)C(=O)Nc1ccc2c(c1)CCC2	815763835	CLYHPVXGHMOLOO-UHFFFAOYSA-N	315.308	1.186	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1	816629081	XAAJESBUTAGLLY-ZETCQYMHSA-N	305.165	1.025	50	20	DDGD	
CCOC1CC(=NNC(=O)Cc2nc3ccccc3n2C)C1	814738450	ZRJJWEVZXNVABO-UHFFFAOYSA-N	300.362	1.787	50	20	DDGD	
COc1ccc(OC)c(C(C)=NNC(=O)Cc2cc[nH]n2)c1	814954035	STIDHNNIOHMCPI-UHFFFAOYSA-N	302.334	1.510	50	20	DDGD	
O=C(NNC(=O)c1ccc2oc(S)nc2c1)c1cccnc1	816817406	AWLUWWSCBYICRG-UHFFFAOYSA-N	314.326	1.586	50	20	DDGD	
O=S(=O)(CBr)N1C[C@H](CO)c2ccccc21	814402716	MTBBYDGIIASSBT-MRVPVSSYSA-N	306.181	1.265	50	20	DDGD	
Cc1nn(C)c(N)c1C=NNC(=O)CNc1ccccc1F	814713391	NCKKXTSMQOVJDL-UHFFFAOYSA-N	304.329	1.012	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccc(N=c2cc[nH]cc2)cc1	817083484	KTSSHHCLJRMION-UHFFFAOYSA-N	324.319	1.933	50	20	DDGD	
CCCC(=NNC(=O)C(=O)NC(C)C)c1ccc(OC)cc1	814776880	KMWQSTNLIJUYQO-UHFFFAOYSA-N	305.378	1.840	50	20	DDGD	
N#Cc1ccc(CNC(=O)NNc2cccc(Cl)n2)nc1	814335204	UHVLZCSJMDUQDF-UHFFFAOYSA-N	302.725	1.828	50	20	DDGD	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NNc1cnnn1C	816772166	PPDFUAXWNGSJAN-MRVPVSSYSA-N	322.350	1.347	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H]2CCn3cncc3C2)cc1	817896116	POESZKVXYPLKDK-GFCCVEGCSA-N	300.362	1.988	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2cc(Cl)nc(Cl)c2)C1=O	819747168	MDZYBGTUDPVBKR-SSDOTTSWSA-N	303.149	1.310	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCCCC(=O)c1ccc(F)cc1	823934619	ILRVAXHWOXJRPN-LBPRGKRZSA-N	310.369	1.913	50	20	DDGD	
N#C/C(=C\c1cccc(-c2nn[nH]n2)c1)C(=O)N=c1cc[nH]cc1	826379058	HZKCODIEVSMMJV-UKTHLTGXSA-N	317.312	1.229	50	20	DDGD	
CCN(CC(=O)NNC(=O)C(C)C)[C@H](C)c1cccc(OC)c1	827484378	WAUFCGBKLHTKKY-CYBMUJFWSA-N	321.421	1.882	50	20	DDGD	
Cc1nc(CCNC(=O)/C(C#N)=C\c2cnn(C)c2)sc1C	491138434	YZHBYTRROUTHQI-MLPAPPSSSA-N	315.402	1.759	50	20	DDGD	
CCOC(=O)NN=Cc1ccc(Cl)c(S(N)(=O)=O)c1	495717904	CBNANIOAIJUJIK-UHFFFAOYSA-N	305.743	1.067	50	20	DDGD	
Cc1cccnc1NNC(=O)/C=C/CN(C)CC(F)(F)F	492923437	LYKXOBAFWCGFIO-GQCTYLIASA-N	302.300	1.883	50	20	DDGD	
CO[C@@]1(C)C[C@@H](NC(=O)NNC(=O)OC(C)(C)C)C1(C)C	491797423	MCGCQPHKEVDWQE-OTYXRUKQSA-N	301.387	1.929	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(Cl)cnc1OC(C)C	497004041	YZCDCDUIHUZQCR-UHFFFAOYSA-N	302.718	1.915	50	20	DDGD	
COc1cccc(NNC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)n1	495524375	JKTFBZKUQSTUSK-SNVBAGLBSA-N	322.365	1.543	50	20	DDGD	
C[C@@H]1SCC[C@@H]1NC(=O)NNC(=O)COCc1ccccc1	826055808	LBZILGVOAISWLM-AAEUAGOBSA-N	323.418	1.428	50	20	DDGD	
CC(C[C@H](C)NC(=O)OC(C)(C)C)=NNC(=O)c1cnccn1	494657711	BIRBOGIHTVSIGU-JTQLQIEISA-N	321.381	1.886	50	20	DDGD	
O=C(NNC(=S)NCCc1cccnc1)c1ccccc1O	727691827	CYEMIBROACPGBO-UHFFFAOYSA-N	316.386	1.139	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=S)NCC2CCC2)cc1	727275693	VTHAPDFXKBANRT-UHFFFAOYSA-N	320.418	1.229	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@H]1CCCCN1C1CCCC1	827472385	FEUZKMGHZNDHQZ-CYBMUJFWSA-N	307.373	1.856	50	20	DDGD	
CCC[C@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)C(C)C	494740991	BEJJINVGMDCSIC-NSHDSACASA-N	315.414	1.731	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1cc(C#N)cc(Cl)n1	494348204	IPVVIGQWENQFKJ-UHFFFAOYSA-N	311.729	1.186	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2CC2(F)F)c1	822200761	ZTXRXVOESARALR-SNVBAGLBSA-N	300.261	1.120	50	20	DDGD	
O=C(c1csc(-c2ccc(F)cc2)n1)N1CC[C@H](B(O)O)C1	585069442	MESVAAHNFBUKRG-JTQLQIEISA-N	320.154	1.638	50	20	DDGD	
CC(C)C(=O)NNC(=O)CSc1ncc(-c2ccccc2)[nH]1	829000730	GGBPGKXMCKKMKS-UHFFFAOYSA-N	318.402	1.972	50	20	DDGD	
O=C(NN=C1c2ccccc2CC12CCOCC2)c1ncon1	901290229	SZJFVGPJTQOKAQ-UHFFFAOYSA-N	312.329	1.557	50	20	DDGD	
Cn1ccc(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)n1	732975874	ACEQIYDBEZTTPG-UHFFFAOYSA-N	318.724	1.880	50	20	DDGD	
CN(CC(=O)NNc1ccc(C(F)(F)F)nn1)CC(C)(C)C	821307580	TTZRHEOKUVGXFR-UHFFFAOYSA-N	319.331	1.916	50	20	DDGD	
CCOC(=O)CCN(C)C(=O)/C(C#N)=C/c1ccc(O)cc1	491044479	CJAYOXZNACNYFO-JLHYYAGUSA-N	302.330	1.711	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	824898179	DPZHWKBFFCZJRB-SKDRFNHKSA-N	314.349	1.064	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C1CCO[C@@H](C)C1	496783503	FRQMEIJEZJEQPK-AAEUAGOBSA-N	323.393	1.574	50	20	DDGD	
C[C@H]1CCC[C@H](C)C1N(C)C(=O)c1cc(B(O)O)ccc1F	584942143	PMOHCJVGCSEFTM-QWRGUYRKSA-N	307.174	1.402	50	20	DDGD	
O=C(NC[C@@H]1CCC[C@@H]1c1ccccc1)c1cccc(B(O)O)c1	584995770	REVYMLGXNBXYMM-FUHWJXTLSA-N	323.201	1.680	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc2c1CCCC2	837835556	VVNVMIVHGLQGMZ-NSHDSACASA-N	318.373	1.668	50	20	DDGD	
CCCN(C(=O)c1ccc(B(O)O)cc1)[C@H]1CCc2ccccc21	584937667	ANNSBYXGEYURBB-SFHVURJKSA-N	323.201	1.906	50	20	DDGD	
O=C(Cc1ccccn1)NN=Cc1c[nH]c2ccc(C(=O)O)cc12	739350609	ZSLRMKLAZDHZGI-UHFFFAOYSA-N	322.324	1.954	50	20	DDGD	
Cc1ccc(-c2nc(C)c(C(=O)NCB(O)O)s2)c(C)c1	585062096	QBQFGFYZQYZXIG-UHFFFAOYSA-N	304.180	1.477	50	20	DDGD	
OB(O)c1ccc(CN[C@@H](c2ccccc2)C2CCOCC2)o1	585023113	GIWMBKPRHSJZRF-KRWDZBQOSA-N	315.178	1.217	50	20	DDGD	
CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)NNC(=O)C(C)(C)C)C1	734220078	DAYDZTRMBIEDCA-QWRGUYRKSA-N	312.414	1.010	50	20	DDGD	
Cn1ncc(C(=O)NNc2nccnc2Cl)c1C(F)F	734260824	RNNMUMVEYDLMQT-UHFFFAOYSA-N	302.672	1.558	50	20	DDGD	
COc1ccccc1C/C(C)=C\C(=O)NNC(=O)NC1CC1	730213623	VNNQWMOBQUUTKB-KHPPLWFESA-N	303.362	1.677	50	20	DDGD	
C=CCOC[C@H](NC(=O)[C@]1(C)C[C@H]1Br)C(=O)OC	907929702	LFBWAKDXCCKXKZ-YGOYTEALSA-N	320.183	1.020	50	20	DDGD	
C[C@@H](CCCc1cccnc1)NCC(=O)NNC(=O)C(C)(C)C	839146076	WEPRQSAYKGHOSV-ZDUSSCGKSA-N	320.437	1.576	50	20	DDGD	
CCC[C@H](CNC(=O)NNC(=O)Nc1ccc(OC)cc1)OC	836522442	DKFSQNBKRBWCRF-CYBMUJFWSA-N	324.381	1.846	50	20	DDGD	
C#CCCCC(=O)NN=C(C)c1cccc(S(=O)(=O)NC)c1	901320625	FSWYMIOCDHYTIA-UHFFFAOYSA-N	321.402	1.238	50	20	DDGD	
O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@H](B(O)O)C2)o1	585077732	XTAIFDYFBVFISO-NSHDSACASA-N	316.122	1.904	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C1CCN(OC)CC1	834921559	HCQMNBGWRBZMRK-UHFFFAOYSA-N	321.377	1.594	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(C)n2)C12CCC2	838770192	WFLYBZQIIXGNRY-STQMWFEESA-N	318.377	1.292	50	20	DDGD	
C[C@@]1(C(=O)N2CCC3(CC2)COC(=O)N3)C[C@@H]1Br	907337596	SCDXFAOGDIYUBO-GZMMTYOYSA-N	317.183	1.261	50	20	DDGD	
COC(=O)C[C@@H](C)SCC(=O)NNC(=O)c1ccc(C)cc1	734368376	PPWQQKOXJSQHPK-LLVKDONJSA-N	324.402	1.441	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@H]2CCCCO2)cc1[N+](=O)[O-]	834989601	QPXLAIDBEPLSDV-CYBMUJFWSA-N	307.306	1.623	50	20	DDGD	
CC(=NNC(=O)c1ccnc(N(C)C)c1)c1cc(O)ccc1O	731561946	DZODWPSOXFPISU-UHFFFAOYSA-N	314.345	1.713	50	20	DDGD	
O=[N+]([O-])c1cc(Br)ccc1N1CC[C@H](B(O)O)C1	585072686	DINLUTOHXNBEIP-ZETCQYMHSA-N	314.932	1.410	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NN=C1CCn2ccnc21	834930898	YGGNJWVVAFHWLQ-JTQLQIEISA-N	302.309	1.714	50	20	DDGD	
CC(C)(C)c1n[nH]c(CNC(=O)NNc2cccc(C#N)c2)n1	838756531	QHVONWNOHXNWFN-UHFFFAOYSA-N	313.365	1.800	50	20	DDGD	
CN1CCCC[C@@H]1C(=O)NNC(=O)c1ccc2ccccc2n1	731865474	KUGGAHNVHXTLPX-OAHLLOKOSA-N	312.373	1.480	50	20	DDGD	
COc1ccccc1C(=O)NN[C@H](C(=O)O)c1ccc(F)cc1	738116265	RCMATKLFMLDEMA-AWEZNQCLSA-N	318.304	1.895	50	20	DDGD	
CC(C)COc1cccc(CNCc2ccc(B(O)O)cc2)c1	585019058	AFDCBNIIJLGFLD-UHFFFAOYSA-N	313.206	1.691	50	20	DDGD	
COc1cccc(COCC(=O)NNc2nccnc2Cl)c1	734261368	RVVOPGXPWNRHLK-UHFFFAOYSA-N	322.752	1.799	50	20	DDGD	
Cc1n[nH]c(C)c1C=NNC(=O)[C@H](C)CN1CCCCCC1	915954174	ABIJCZOJZFDIGD-GFCCVEGCSA-N	305.426	1.989	50	20	DDGD	
C[C@H](CCc1ccc(F)c(F)c1)NCc1ccc(B(O)O)cc1	585023338	GKEAQPGXPZIRIT-GFCCVEGCSA-N	319.160	1.756	50	20	DDGD	
O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1ccc(B(O)O)c(F)c1	584949832	AAKHCBGMNASDGO-NQBHXWOUSA-N	305.158	1.204	50	20	DDGD	
O=C(CN1CCCNC1=O)NNc1nccc2sccc12	734248989	FEKRKMOVGGUPNJ-UHFFFAOYSA-N	305.363	1.155	50	20	DDGD	
NC(=O)c1ccc(CNC(=O)NNc2c(F)cccc2F)cc1	735759343	SQXSAEMLLFSKLP-UHFFFAOYSA-N	320.299	1.890	50	20	DDGD	
CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@H]1C	834944437	QTLWXMDNFHMWQX-RAIGVLPGSA-N	315.439	1.675	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNc1ccc(C(=O)OC)c(F)c1	837054423	YSHWJKGABLWTFP-ZJUUUORDSA-N	312.341	1.974	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H](C)[C@@H]2CN(C)CCO2)cc1	838521470	AJUSQDFWZOKWBS-DOMZBBRYSA-N	322.409	1.431	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1ccc2nc(S)oc2c1	746091878	MMXKPWREWNNZLR-UHFFFAOYSA-N	314.326	1.586	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCC(=O)c1cnn(C)c1	832589196	IYUUTHYIGZNTAY-UHFFFAOYSA-N	323.784	1.085	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1Cl)C(=O)NN(C)C[C@@H](C)O	910167846	NYXFQVPDLFPNFD-BDAKNGLRSA-N	304.749	1.590	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cnc(C(C)(C)C)nc1	831368223	DOOSGBANSNQXPY-KOLCDFICSA-N	321.381	1.352	50	20	DDGD	
CSc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)nc1	831650839	YFJVYHWSFKAYDO-SCZZXKLOSA-N	310.379	1.381	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(F)c(C(=O)NN(C)C[C@H](C)O)c1F	910148747	WRYKKYSUAXFCAK-ZETCQYMHSA-N	303.265	1.139	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1cccc(C)c1C	743446570	ZUXDESSVAXXIAE-UHFFFAOYSA-N	314.345	1.588	50	20	DDGD	
C[C@]1(C(=O)N2CC[C@@H](c3cc(O)n[nH]3)C2)C[C@@H]1Br	911854023	HJMJBWCBMJHNBG-FDOIEUKUSA-N	314.183	1.605	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCCN3CCCC[C@H]23)o1	847444615	IVBWVTJOWQSDED-QWHCGFSZSA-N	320.393	1.549	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2CCc3ccccc3C2)n1	844507020	NJXMBFJZOIMYSC-OAHLLOKOSA-N	309.369	1.956	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)[C@@H](C)OCCOC)[C@H]1CC1(C)C	842190747	NUPCURYOQFDHTM-UTUOFQBUSA-N	315.414	1.193	50	20	DDGD	
COc1ccc(C)cc1C=NNC(=O)Cn1nc(C)cc1C	744742150	BLVIVHKMLUOHCL-UHFFFAOYSA-N	300.362	1.967	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNc1nc2ccccc2n1C	848381821	UTPVRZBKUAYDCX-SNVBAGLBSA-N	304.350	1.606	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=Cc2c[nH]c3ncccc23)cc1	741759012	XXPIHHKTTZHXNN-UHFFFAOYSA-N	319.324	1.964	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCC3(CC2)CC3(F)F)cn1	846468349	AGUAYYBAFKRYLY-SDQBBNPISA-N	306.316	1.975	50	20	DDGD	
NC[C@H]1CCCC[C@H]1NC(=O)NNc1cccc([N+](=O)[O-])c1	841950647	VEBBPDRCQSXYQE-ZWNOBZJWSA-N	307.354	1.738	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1ccc(C(=O)N(C)C)cc1	842560090	KTSSLVHRSGOYHH-DOMZBBRYSA-N	317.389	1.654	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(C(F)F)nc2)n1	847289524	FXBZMXXSDDXOSI-UHFFFAOYSA-N	323.303	1.294	50	20	DDGD	
CO[C@H](CC(=O)NN(C)C(=O)OC(C)(C)C)C(F)(F)F	846255664	PTSGSQOBMMCXNH-SSDOTTSWSA-N	300.277	1.852	50	20	DDGD	
C[C@H]1C[C@@H]1c1ccc(CCC(=O)NNC(=O)N2CCOCC2)o1	745991893	JCVPLAHZPIMTIC-AAEUAGOBSA-N	321.377	1.409	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NCCCNC2CC2)ccc1F	841918754	WHMYHHXOQZSIPZ-UHFFFAOYSA-N	324.356	1.381	50	20	DDGD	
CS(=O)(=O)Cc1cccc(C(=O)NNC(=O)C2CCCC2)c1	914843254	GZPREGQTMLAHKQ-UHFFFAOYSA-N	324.402	1.182	50	20	DDGD	
O=C(NCc1cn2ccsc2n1)NNc1cncc(Cl)n1	916218132	JUSZETVJXIQWQO-UHFFFAOYSA-N	323.769	1.666	50	20	DDGD	
Cc1ccc(-c2nc(C(=O)NN(C)C[C@H](C)O)cs2)n1C	910156250	RUVWMDNWRUEZDJ-JTQLQIEISA-N	308.407	1.414	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1cnc2nc(O)nc(O)c2c1	848081479	ZTXVRMCIZYUQLL-UHFFFAOYSA-N	317.132	1.312	50	20	DDGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NN(C)C[C@H](C)O	910178530	YJTZEAJKLUUXEJ-JTQLQIEISA-N	320.368	1.586	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CCO[C@@H]2C)cc([N+](=O)[O-])c1O	842560604	YELXSHUSJOVILN-SCZZXKLOSA-N	323.305	1.184	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2cccc(C#N)c2)C[C@@H](C)S1	743587205	FPUPKWKSGSBAPB-GHMZBOCLSA-N	318.402	1.738	50	20	DDGD	
CC[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCC1CC1	748530154	WRRRPDDLCDCMSP-LBPRGKRZSA-N	309.341	1.724	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H]2CCC(=O)C2)c1	843751790	CJCRTBCGKLWKNS-GFCCVEGCSA-N	304.346	1.199	50	20	DDGD	
N[C@@H]1CCC[C@@H](NC(=O)NNc2cc(F)c(F)c(F)c2)C1	841983508	SZYHTFSESNYVOV-HTQZYQBOSA-N	302.300	2.000	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@@H](C)C(=O)OC(C)(C)C)n1	847427314	RNNXGUJTMMSBIK-SECBINFHSA-N	323.397	1.697	50	20	DDGD	
C[C@H](C(=O)NC(N)=O)N(C)CCO[Si](C)(C)C(C)(C)C	844347169	RLCFOHXFUPGODI-SNVBAGLBSA-N	303.479	1.523	50	20	DDGD	
CC(C)CN1C[C@H](C(=O)NNc2ncc(Cl)cn2)CC1=O	857355409	CYHGBRGEMVUJQC-SECBINFHSA-N	311.773	1.078	50	20	DDGD	
O=C(NNC(=O)[C@H](CN1CCCC1)c1ccccc1)C1CC1	854180113	IAHGGVXNPHVCJB-OAHLLOKOSA-N	301.390	1.423	50	20	DDGD	
O=C(CN1CCCC(F)(F)CC1)NNC(=O)c1cccs1	859535804	PDXSRBZJNCWIJO-UHFFFAOYSA-N	317.361	1.630	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)CN2CCCC2=O)C[C@H]1C	758099893	OKVRLJQMLOOEIR-DGCLKSJQSA-N	323.393	1.080	50	20	DDGD	
CC[C@H]1COCC1=NNC(=O)c1cccc(S(C)(=O)=O)c1	853290074	TXJVBTNEBDMHKF-JTQLQIEISA-N	310.375	1.232	50	20	DDGD	
COC(=O)c1ccccc1CCC(=O)NNc1ncccn1	758277290	UHLGLMGGGUTAHF-UHFFFAOYSA-N	300.318	1.339	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1cccc(F)n1)[C@@H]1CC1(C)C	852385800	UQEWSYIDYVEATK-UWVGGRQHSA-N	308.357	1.989	50	20	DDGD	
CC[C@@H](CN1CCOCC1)NC(=O)NNc1c(C)cccc1F	925595613	PIAYEDSGZXIHON-ZDUSSCGKSA-N	324.400	1.871	50	20	DDGD	
CC[C@@H](CN1CCCC1)NC(=O)NNC(=O)c1ccccc1	758843659	CDPGULWHQDRDAE-AWEZNQCLSA-N	304.394	1.505	50	20	DDGD	
O=C(NC[C@H]1CCCN1CC(F)(F)F)NNc1ncccn1	926512320	FIIVNUXNGNYZSR-SECBINFHSA-N	318.303	1.129	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)[C@H]1C[C@@H]1C1CC1	855834218	OMQPWHMIFQLCAQ-NEPJUHHUSA-N	309.410	1.122	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(OC)ccn2)nc1	759740413	XQZRAGAGGMJTAK-UHFFFAOYSA-N	302.290	1.029	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccc(Cl)cc2)CC1)c1cc[nH]n1	855357831	QUUCSEWLVNCXLT-UHFFFAOYSA-N	318.764	1.847	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)c2cccc(F)n2)C[C@@H](C)O1	852709073	BGPJNEXTBXNXNV-ZJUUUORDSA-N	310.329	1.074	50	20	DDGD	
N#Cc1cc(F)c(C(=O)NNC(=O)CC(F)(F)F)c(F)c1	755695197	PTQGMWJQSFBBJK-UHFFFAOYSA-N	307.178	1.550	50	20	DDGD	
CN(C[C@@H]1CCOC1)C(=O)NC[C@]1(C)C[C@@H]1Br	856898482	BDDRNRQSFBBVTF-NHCYSSNCSA-N	305.216	1.838	50	20	DDGD	
Cc1ccc(C(=O)NNC(=S)NCC2CCC2)c(O)c1C	855089561	WHIHBAKDYWDLFD-UHFFFAOYSA-N	307.419	1.918	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H]1CCCN(CC(F)(F)F)C1	921037842	AYZBVVLTPDBVFS-VIFPVBQESA-N	310.320	1.001	50	20	DDGD	
CC(=O)c1cccc(C(=O)NNC(=S)N[C@H](C)C2CC2)c1	855098489	IIRLYDDMCZWNIR-SECBINFHSA-N	305.403	1.797	50	20	DDGD	
CO[C@@]1(C)C[C@H]1NC(=O)NNC(=O)c1cc2c(s1)CCC2	852687648	MGKHRBXUUOVXHC-RISCZKNCSA-N	309.391	1.358	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCCOC[C@H]1CCOC1	752192801	AFGCGLRZIKJWSH-AHSSXEFNSA-N	318.348	1.902	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H]2CCCOC2)c1C	853465470	HPJYIHBQBNFBNP-LBPRGKRZSA-N	321.377	1.834	50	20	DDGD	
CN(C(=O)NC[C@@]1(C)C[C@@H]1Br)C1CCNCC1	857105676	PMXVQPJSUZDAMK-CMPLNLGQSA-N	304.232	1.553	50	20	DDGD	
C[C@@](O)(CNC(=O)NNC(=O)C1CCCC1)c1ccc(F)cc1	753339351	JUCHYYXGHGHXAO-MRXNPFEDSA-N	323.368	1.554	50	20	DDGD	
C=CCN(CC(=O)NNC(=O)c1ccc(C)cc1)[C@H](C)COC	852356926	RWXQDADBROEORQ-CQSZACIVSA-N	319.405	1.279	50	20	DDGD	
Cn1cc(C(=O)NNc2ncc(Cl)cn2)c(C2CCC2)n1	857358972	NGGOBTJDCHJWLE-UHFFFAOYSA-N	306.757	1.888	50	20	DDGD	
COCC(=O)Nc1ccc(NC(=O)NNC(=O)CC2CC2)cc1	755640905	XPIQVTRBHJNZEQ-UHFFFAOYSA-N	320.349	1.224	50	20	DDGD	
C[C@]1(CNC(=O)N2C[C@H]3CC[C@H]2[C@H](N)C3)C[C@H]1Br	857105548	NFZRLLPAOZLALG-VLLVSFFDSA-N	316.243	1.681	50	20	DDGD	
COc1nccnc1NNC(=O)COCc1ccccc1C	857178140	AOTWPBQMGQJHFK-UHFFFAOYSA-N	302.334	1.454	50	20	DDGD	
CC(Cn1cncn1)=NNC(=O)Nc1ccc(N(C)C)cc1	853311286	OSCNSZLWCPMNSZ-UHFFFAOYSA-N	301.354	1.542	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCC[C@H](C)N(C)C	855411646	QNXPYKZQLLISDS-JTQLQIEISA-N	300.834	1.809	50	20	DDGD	
C[C@H](c1ccccc1)[C@@H](O)CNC(=O)/C(C#N)=C\c1cnn(C)c1	856292040	HVNZCAHRHDCIHC-JQFAORGMSA-N	324.384	1.608	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2[nH]c(C)nc2C)ccc1C	857264264	TWSHJFIPSMCRKY-UHFFFAOYSA-N	302.334	1.878	50	20	DDGD	
CN(C)[C@@H]1CCCC(=NNC(=O)c2cccc(C(=O)O)c2)C1	853425167	AYSBACGJOSGAQW-CQSZACIVSA-N	303.362	1.975	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1cc2ccc(F)cc2s1	755286475	LNEJFVLBVATUDY-UHFFFAOYSA-N	318.333	1.767	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)Cc1cc(C)[nH]n1)OCO2	758869852	HKFQNRNGZZASCR-UHFFFAOYSA-N	316.317	1.148	50	20	DDGD	
COc1ccc2c(c1)CC[C@@H](NC(=O)NNC(=O)C1CCC1)C2	753281062	AAURHDMGYZRNID-CQSZACIVSA-N	317.389	1.683	50	20	DDGD	
CCCCS(=O)(=O)/C(C#N)=C/c1cn(C[C@@H]2CCCO2)nn1	865225010	XIMUXNPVOQGTMD-JGWKKKPCSA-N	324.406	1.536	50	20	DDGD	
O=C(CCCCO)NNC(=O)c1cccc(Br)c1	866127912	OZOUBTZUYQXYNH-UHFFFAOYSA-N	315.167	1.373	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCC(=O)N1)c1sc(C(C)(C)C)nc1C	863145155	KXGAVKVLGUGXET-SNVBAGLBSA-N	322.434	1.868	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)c2cn[nH]c2)c1C	862473289	MSVRDWUSALBOAF-UHFFFAOYSA-N	302.334	1.257	50	20	DDGD	
COCC(=O)NN=C1C(=O)Nc2c1ccc(Cl)c2Cl	761826039	ZIDDMFUUIOJKLK-UHFFFAOYSA-N	302.117	1.412	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNCC(F)(F)C(F)(F)F)[C@@H]1C	863103407	YJESNWZVCXAZGL-ULAWRXDQSA-N	304.259	1.864	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)OCCN1CCOCC1	766752692	RJOPYYXULWVLCE-JTQLQIEISA-N	308.216	1.671	50	20	DDGD	
CC(C)n1ncc2cc(NCc3ccc(B(O)O)cc3)ccc21	864028660	WTWQBWJOEFOIHA-UHFFFAOYSA-N	309.178	1.909	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2COC[C@@H]2O)c1C	869934197	GGDABFQXQBKMLW-RBBJEVKSSA-N	317.389	1.298	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C)c(C)c1)c1ccnn1C	765993191	KPADDZMSRDNZMA-UHFFFAOYSA-N	300.362	1.956	50	20	DDGD	
Cc1cc(Cl)ccc1C=NNC(=O)Cc1cc(O)nc(O)n1	767380750	TXCNGYAQMWXFGO-UHFFFAOYSA-N	320.736	1.542	50	20	DDGD	
O=C1CCc2cc(F)c(NC(=O)NNc3cnccn3)cc2N1	769957767	MOQDXJSSWXKNML-UHFFFAOYSA-N	316.296	1.649	50	20	DDGD	
Cc1ccc2nc(C(=O)NNC(=S)N[C@H](C)C3CC3)cn2c1	862150069	GDUUQIHWBHQNNT-SNVBAGLBSA-N	317.418	1.550	50	20	DDGD	
C[C@H](NNC(=O)c1cccnc1N1CCCC1)C(F)(F)F	862304552	CHWWGBIZCFYCIW-VIFPVBQESA-N	302.300	1.867	50	20	DDGD	
COc1cccc(C(C)(C)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	869067511	BMWQNQLGYAZSKV-RISCZKNCSA-N	320.389	1.545	50	20	DDGD	
O=C(NNC(=O)c1cnn2ncccc12)c1c[nH]c2ccccc12	765192043	FJXXVLVEINZQOQ-UHFFFAOYSA-N	320.312	1.285	50	20	DDGD	
CCOCCCNC(=O)NNC(=O)c1nc2ccccc2s1	766838240	ZYFWEMRBKDAPHL-UHFFFAOYSA-N	322.390	1.667	50	20	DDGD	
O=C(NN=Cc1cncs1)C1CCN(c2ncccn2)CC1	767788058	WSLQVEDGQGRGNJ-UHFFFAOYSA-N	316.390	1.300	50	20	DDGD	
C[C@@]1(CNC(=O)N2CCC[C@H](C(=O)O)C2)C[C@H]1Br	874407953	JDWYDPJRMDEQQS-SBMIAAHKSA-N	319.199	1.666	50	20	DDGD	
CCOCc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)CC)cc1	1116620567	FQJVXAZPQIAOOX-LLVKDONJSA-N	321.377	1.355	50	20	DDGD	
COC[C@H](C)n1ccc(NC(=O)NNc2cccc(OC)n2)n1	779933786	BXTRFLNXPXSIHR-JTQLQIEISA-N	320.353	1.643	50	20	DDGD	
C[C@@H](CBr)COC(=O)C[C@H]1C=CS(=O)(=O)C1	770331610	AHNAAQOUXVZZBH-DTWKUNHWSA-N	311.197	1.509	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1cnn(CC(F)F)c1	775641567	WRYOMXBYLJVHBG-UHFFFAOYSA-N	301.232	1.226	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2CC[C@H]2C(N)=O)cc1C	873762037	NRBYGZFBLSXDMH-VXGBXAGGSA-N	320.418	1.133	50	20	DDGD	
CCCN1C(=O)C(=NNC(=O)CN(C)C)c2cc(C)ccc21	872347718	FGLWDSNYSANUIV-UHFFFAOYSA-N	302.378	1.134	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1nc2ccccc2s1)[C@H](C)O	881466799	ARVNPAREYLUXHF-DTWKUNHWSA-N	307.375	1.464	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cc(Cl)nc(Cl)c1	883061540	XOPJKIVCTMZXEU-UHFFFAOYSA-N	318.160	1.576	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H](C(=O)NNC(=O)C2CCOCC2)C1(C)C	883068685	FAKDDIAPMVAMCH-ZYHUDNBSSA-N	310.394	1.202	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNc1nccnc1C(C)C	772822296	DOYBAFDKIWAFQI-UHFFFAOYSA-N	307.398	1.692	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C2CCOCC2)c(C)c1	883059472	YLSWSPLGMUNBFO-UHFFFAOYSA-N	306.362	1.256	50	20	DDGD	
COCCN(C)Cc1cn(/C(Cl)=C/CBr)nn1	881310502	KMIDQZOHQCBJSE-XCVCLJGOSA-N	323.622	1.788	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](c1cccc(Cl)c1)N(C)C	780708945	KUGDFMGEWBWJQK-LBPRGKRZSA-N	312.801	1.635	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cnc(-c2ccco2)s1	782179497	MCDHCYHZCCAVPG-UHFFFAOYSA-N	306.347	1.378	50	20	DDGD	
CC(=O)Nc1ccc(C(C)=NNC(=O)C(=O)N2CCCC2)cc1	781591350	DSANWQZOFJGRGA-UHFFFAOYSA-N	316.361	1.108	50	20	DDGD	
O=C(CCCc1ccsc1)NNC(=O)NCC(F)(F)F	783038418	RVZJUPVOGXUFLE-UHFFFAOYSA-N	309.313	1.964	50	20	DDGD	
CC1(C)CC[C@@H](C(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1	781557821	VRXMREWNRUXCIU-BXUZGUMPSA-N	318.373	1.800	50	20	DDGD	
COc1cccc2cc(C(=O)NNC(=O)C3CCOCC3)oc12	883061088	IBZPNAQQNCLGOU-UHFFFAOYSA-N	318.329	1.629	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(C(C)(C)C)cc1)N1C(=O)CCC1=O	781041485	NWEYAGVVKNSABO-LLVKDONJSA-N	317.389	1.965	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H](c1ccncc1)C1CC1	899002599	UDJSBXXRLNRJRW-ZLKJLUDKSA-N	318.377	1.288	50	20	DDGD	
CC(=NNC(=O)c1cccc(S(C)(=O)=O)c1)[C@@]1(C)CCCO1	782199700	NYFOCYKNQIBUIC-OAHLLOKOSA-N	324.402	1.765	50	20	DDGD	
COc1cc(C)ccc1C(=O)NNC(=O)c1ccccc1O	781022442	BDFPMVKKUGOQCM-UHFFFAOYSA-N	300.314	1.784	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2cc(Cl)ccn2)cn1	784856419	JQGFTHSEJQVWHF-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
O=C(NCc1nc(C2CC2)no1)NNc1ncncc1Cl	780976616	WQKKYESIKPFEEL-UHFFFAOYSA-N	309.717	1.217	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cnc3ccccc3c2)ncn1	783945864	QCNZQVHSZSYWBC-UHFFFAOYSA-N	322.328	1.415	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@H](CC)[C@H](C)O)cc1OC	789938507	COYCTIJDYFSICY-CMPLNLGQSA-N	324.377	1.262	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cccc3c2CCO3)n[nH]1	797671505	VZUBXQDPOCGDRV-UHFFFAOYSA-N	301.306	1.120	50	20	DDGD	
CCCNC(=O)NN=C1CCCc2c1cnn2-c1ncccn1	792987602	UJMZQSKRAZRKIE-UHFFFAOYSA-N	313.365	1.412	50	20	DDGD	
O=C(NN=Cc1nn[nH]c1-c1ccccc1)c1ccc(O)c(O)c1	794552010	WXBNXXICCVOZSG-UHFFFAOYSA-N	323.312	1.647	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CCC2(CCO2)CC1	799857912	XNQWYXCPMQCCIZ-UHFFFAOYSA-N	303.362	1.604	50	20	DDGD	
CCOC1(C(=O)NNC(=O)Nc2ccccc2C)CCOCC1	796656184	RFYBWUVXNVUBAR-UHFFFAOYSA-N	321.377	1.733	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)SCC(=O)Nc1ccccc1	799897671	NXLNSFREUDQUBP-JTQLQIEISA-N	309.391	1.304	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2CCN(C)c3ccccc32)n1	794086601	JDTNPVLGWPLALV-CQSZACIVSA-N	324.384	1.775	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1c([N+](=O)[O-])cnn1C	798311054	CRWUJLBNTZCLGC-UHFFFAOYSA-N	318.293	1.103	50	20	DDGD	
NC(=O)c1csc(C=NNC(=O)c2ccc(O)c(O)c2)c1	794556288	SNGGWBCTDITUOM-UHFFFAOYSA-N	305.315	1.022	50	20	DDGD	
CCC(=NNC(C)=O)c1ccc(Cl)c(S(=O)(=O)NC)c1	794845553	QZFZSBPGUHUUFI-UHFFFAOYSA-N	317.798	1.498	50	20	DDGD	
O=C(NCc1cccc(F)n1)NNc1nc2ccccn2n1	790435242	ZSBRDABFEJLQQG-UHFFFAOYSA-N	301.285	1.090	50	20	DDGD	
CN1C(=O)C[C@H](C(=O)NNC(=O)C2CCC2)c2ccccc21	1318401585	BTJDDTGMJFJANU-LBPRGKRZSA-N	301.346	1.084	50	20	DDGD	
CC(C)c1ncc(C(=O)NNC(=O)Cc2ccccc2F)[nH]1	1318801503	RHZDJJHFLKHCLS-UHFFFAOYSA-N	304.325	1.676	50	20	DDGD	
Cc1csc([C@H](C)C(=O)NNc2nncc(N)c2Cl)n1	1328195133	REYAUVQPVADNCU-ZCFIWIBFSA-N	312.786	1.724	50	20	DDGD	
Cc1nc(NC(=O)NNC(=O)c2n[nH]c3c2CCCC3)oc1C	1323965265	XUQWQDMZTQKHIC-UHFFFAOYSA-N	318.337	1.360	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2cnc3n2CCC3)CC1	1327643877	NGWPTRLADINCOZ-UHFFFAOYSA-N	303.410	1.401	50	20	DDGD	
CC(C)(C)n1cnc(C(=O)NNC(=O)c2ccccc2Cl)n1	1324026727	NLODLDYFFMLYDW-UHFFFAOYSA-N	321.768	1.761	50	20	DDGD	
CN(CC1(c2ccccc2)CC1)C(=O)NNC(=O)c1cn[nH]c1	1328731485	LWZFGGKIFPJXQA-UHFFFAOYSA-N	313.361	1.428	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H](C)C(=O)OC(C)(C)C)cc1	1327358307	BBONEVYMWMFXIX-JTQLQIEISA-N	322.361	1.434	50	20	DDGD	
COC(=O)c1ccccc1CCC(=O)NNC(=S)NC(C)C	1323040723	ZAEUQNZHYIOEST-UHFFFAOYSA-N	323.418	1.310	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@@H]2CC[C@H](OC)C2)cc1	1330764012	YOPCGCBBWMYGIX-YPMHNXCESA-N	322.365	1.598	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CNCCC2(F)F)C[C@@H]1Br	1331343464	IADOXDASWIEVME-OYNCUSHFSA-N	311.170	1.521	50	20	DDGD	
C=C/C=C/CCNC(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1331794992	GPWOUFYTZKOKLX-YAUPHVJRSA-N	315.211	1.525	50	20	DDGD	
Cc1c(C(=O)NNc2ncccn2)cnn1C1CCOCC1	1336696666	AJFAOLMXUYKMCA-UHFFFAOYSA-N	302.338	1.090	50	20	DDGD	
C[C@]1(Cn2nnnc2N2C[C@H]3C=C[C@H]2C3)C[C@@H]1Br	1334658344	QYECDTCKAUVKCE-QFOLPQNPSA-N	310.199	1.611	50	20	DDGD	
CSC1(CNC(=O)NN=c2cc[nH]c(C)c2)CCOCC1	1331345986	MNXFZXDAMSLIBT-UHFFFAOYSA-N	310.423	1.350	50	20	DDGD	
CCCNC(=O)NNC(=O)c1oc(C2CC2)nc1C(F)F	1348592674	WOXYWHOFWPHEGD-UHFFFAOYSA-N	302.281	1.844	50	20	DDGD	
COC(=O)c1cc(C(=O)OC[C@]2(C)C[C@H]2Br)on1	1344035096	ISBCRPGPWMSZFU-KCJUWKMLSA-N	318.123	1.792	50	20	DDGD	
O=C(COc1ccc(F)cc1)NN=C1C[C@H]2C[C@H](C(=O)O)[C@H]1C2	1601343129	HXWLNWSCROEYIT-WQAKAFBOSA-N	320.320	1.807	50	20	DDGD	
O=C(Cn1cccc(C(=O)O)c1=O)NNc1ccccc1Cl	1601387677	MOOSJBQTXIWJLH-UHFFFAOYSA-N	321.720	1.343	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2cnnc3ccccc23)nc1	1606478437	AITRSHZSBJBFTM-UHFFFAOYSA-N	309.285	1.480	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CCCN2C2CC2)cc1F	1602384669	JENCSUJRDFEZRW-ZDUSSCGKSA-N	307.325	1.594	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNc1cccc(C(=O)O)c1F	1607999673	CXOMBYMHZGOOHD-UHFFFAOYSA-N	306.297	1.631	50	20	DDGD	
O=C(O)Cc1cccc(OS(=O)(=O)CBr)c1	1602141734	PLNRXFFFOVYWDF-UHFFFAOYSA-N	309.137	1.375	50	20	DDGD	
O=C(O)[C@@H]1[C@@H](O)CCCN1C[C@@H](CBr)C1CC1	1601758123	LIGOJQIYFFUCTE-VWYCJHECSA-N	306.200	1.317	50	20	DDGD	
COC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CC1)C2	1802282341	CRUJXURIOJRXCI-RNJOBUHISA-N	314.813	1.288	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(N)cc2)c(F)c1	1578872883	KMTICBISEOXVGS-UHFFFAOYSA-N	303.293	1.951	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C[C@@H]2CNC[C@H]2C)cc1C	1579727645	VKVNWMDRFDTFBZ-ZIAGYGMSSA-N	319.405	1.075	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NNc1cccc(F)c1C(=O)O	1589815367	MZSAJHNYRBMRTF-LLVKDONJSA-N	309.341	1.840	50	20	DDGD	
N#CCSc1cccc(C(=O)NNC(=O)[C@H]2CCCNC2)c1	1580052795	WHNQRDKXLUTRRK-LBPRGKRZSA-N	318.402	1.063	50	20	DDGD	
O=C([C@@H]1CCCO1)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846388971	RDYBFKHULZMBCM-VIFPVBQESA-N	321.204	1.173	50	20	DDGD	
CC[C@@H](CNC(=O)NNc1ncnc2ccsc12)C(=O)O	1589538747	LYNNYXNSWRTEBV-ZETCQYMHSA-N	309.351	1.428	50	20	DDGD	
CCC(CC)(C(=O)O)C(=O)NNc1ccc2c(=O)[nH]ccc2c1	1589476027	QEKRZINPEIMYGC-UHFFFAOYSA-N	317.345	1.862	50	20	DDGD	
C[C@@H](CC(=O)O)CC(=O)NNc1nc(-c2cccnc2)no1	1592391419	KLSYYZVUWKLAOW-MRVPVSSYSA-N	305.294	1.076	50	20	DDGD	
COc1cc(C(=O)NNc2cccc(C(=O)O)c2F)ccc1O	1599355517	YNPIFYQZJKJWCH-UHFFFAOYSA-N	320.276	1.995	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ncc(Cl)s1	1593166901	CCCOIHFQBWLESH-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
CC(C)N1C(=O)CC[C@H]1C(=O)NNc1ccc(F)c(C(=O)O)c1	1591605881	YOIZBFDJZABLFI-LBPRGKRZSA-N	323.324	1.366	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cnc2ccccn12	1593165532	PLMRDOLFZNCERN-UHFFFAOYSA-N	320.316	1.271	50	20	DDGD	
COc1ccc(CC(=O)NNc2cccc(C(=O)O)c2F)nc1	1599548923	QMBDRADFRULASH-UHFFFAOYSA-N	319.292	1.613	50	20	DDGD	
CCn1cc(C(=O)NNc2ccc(C(=O)O)c(F)c2)c(C)n1	1597876576	GQKRUXORSLXAFK-UHFFFAOYSA-N	306.297	1.806	50	20	DDGD	
N#CC1=CCN(C(=O)c2[nH]c3ccccc3c2-c2nn[nH]n2)CC1	1592671066	CVVYQEGLIHFDKT-UHFFFAOYSA-N	319.328	1.644	50	20	DDGD	
COc1ccnc(C(=O)NNc2ccc(C(=O)O)c(F)c2)c1	1599721201	LSETWLZQEJUTCN-UHFFFAOYSA-N	305.265	1.684	50	20	DDGD	
COc1ncncc1NC(=O)NNc1cccc(C(=O)O)c1C	1599739516	ORECNBCCMUUXQF-UHFFFAOYSA-N	317.305	1.640	50	20	DDGD	
C[C@@H](CC(=O)O)C(=O)NNc1ccnc(Br)c1	1592359409	FECCPLLLEIMWCW-LURJTMIESA-N	302.128	1.398	50	20	DDGD	
CC(=NNC(=O)c1ccnnc1)[C@@H]1C[C@H](CC(=O)O)C1(C)C	1776081255	GTEFGTWYCPPJBA-NEPJUHHUSA-N	304.350	1.719	50	20	DDGD	
COc1ccccc1C(=O)NN=C(C)c1cncc(C(=O)O)c1	1776042903	HGSWQROLXBEFTP-UHFFFAOYSA-N	313.313	1.942	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=Cc2cnc3sccn23)c1	1776096058	JAEBJMFJKLXLOE-UHFFFAOYSA-N	314.326	1.858	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CC(=O)NNc1ccccc1Cl	158491019	IRFJOVDNUYBHGM-UHFFFAOYSA-N	309.713	1.896	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCC2(CCC2)C1	153736263	GVOIJPOXYWFMHI-UHFFFAOYSA-N	303.362	1.926	50	20	DDGD	
O=C(COc1ccccc1F)NNc1ncnc2nc[nH]c12	156329851	LNVXJGPUISYOMK-UHFFFAOYSA-N	302.269	1.014	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)CC1CC1	157863840	XZRJTXUYSXIMOT-UHFFFAOYSA-N	320.349	1.088	50	20	DDGD	
COc1ccc(NNC(=O)Cc2ccc(OC)c(F)c2)nc1	159442526	ZENVEGRQNOWPDB-UHFFFAOYSA-N	305.309	1.924	50	20	DDGD	
COc1ccc(NNC(=O)Cn2cnc(-c3ccccc3)n2)nc1	159266723	JEMMNTODCASBRN-UHFFFAOYSA-N	324.344	1.492	50	20	DDGD	
Cc1nc[nH]c1CC(=O)N(C)NC(=O)OCc1ccccc1	862289129	VKVYMRREVOKENC-UHFFFAOYSA-N	302.334	1.560	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)N(C)NC(=O)OCc1ccccc1	869374485	IYSXGGCOSVLZIH-ZDUSSCGKSA-N	307.350	1.201	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@H]1Cc2ccccc2O1	7965091	ZBIJGBYZZLKASO-OAHLLOKOSA-N	314.316	1.519	50	20	DDGD	
CCCSCC(=O)NNC(=O)CCc1ccc(OC)cc1	55700296	HNRPTQVANPWZGX-UHFFFAOYSA-N	310.419	1.918	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1C[C@H]1c1c(F)cccc1F	116562869	WALCMPUABRVGIJ-KCJUWKMLSA-N	313.304	1.188	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)c2nccnc2N)cc1	10124895	AYJLCEABUGDLBQ-UHFFFAOYSA-N	313.361	1.431	50	20	DDGD	
CCNC(=O)NNC(=O)COc1ccccc1C(F)(F)F	65189898	XDUXVKWMQNZXTG-UHFFFAOYSA-N	305.256	1.435	50	20	DDGD	
CN(C)N(C(=O)c1coc2ccccc12)[C@@H]1CCS(=O)(=O)C1	113016893	HZYPUKMVLFKCNQ-LLVKDONJSA-N	322.386	1.539	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cn1	117679311	DYUUKTZUASJLFM-WCBMZHEXSA-N	318.299	1.550	50	20	DDGD	
Cn1cc(CCCNC(=O)NNc2cccc([N+](=O)[O-])c2)cn1	171340908	WZBLOXTVPYHWQE-UHFFFAOYSA-N	318.337	1.587	50	20	DDGD	
N#CCc1ccc(C(=O)NNC(=O)c2ccc(Cl)nc2)cc1	219210022	MIXLPINARPENBL-UHFFFAOYSA-N	314.732	1.876	50	20	DDGD	
CCOc1ncc(C(=O)NNC(=O)c2ccc[nH]2)cc1Cl	112269692	RGIPFHJKOCACTN-UHFFFAOYSA-N	308.725	1.537	50	20	DDGD	
C[C@@H](COCC(F)(F)F)NC(=O)NNC(=O)c1ccccc1	67720314	XKPKHWNQKXJZTI-VIFPVBQESA-N	319.283	1.598	50	20	DDGD	
COc1ccccc1NC(=O)C(=O)NNc1ccc(C#N)cc1	119648023	OBNRVLKZWDTIPY-UHFFFAOYSA-N	310.313	1.649	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)NCc2ccco2)cc1C	64939876	ZXTLJDSLFFMJSL-UHFFFAOYSA-N	323.374	1.589	50	20	DDGD	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)NCC1CC1	65197928	ORGJVPLMEUFCND-VMPITWQZSA-N	304.306	1.348	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COCc2ccccc2)n1C	127863115	XDECINWQYAMEFS-UHFFFAOYSA-N	301.346	1.311	50	20	DDGD	
O=C(CCCOc1ccc(F)cc1)NNC(=O)[C@@H]1CCCO1	32260679	JUGWCBTWMUXASH-ZDUSSCGKSA-N	310.325	1.311	50	20	DDGD	
Cc1csc(NC(=O)C(=O)NNc2ccc(F)cc2F)n1	188814955	ZWJSJCOOOCSJFS-UHFFFAOYSA-N	312.301	1.812	50	20	DDGD	
CCc1cnc(NC(=O)NNC(=O)Cc2cccnc2)s1	186238730	SIFJYYCCNZNKGU-UHFFFAOYSA-N	305.363	1.496	50	20	DDGD	
CC[C@@H](C)[C@@H](C)C(=O)NNC(=O)COc1ccc(C#N)cc1	183378093	INELRZCOLBHZKS-VXGBXAGGSA-N	303.362	1.767	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc2c(OC(F)F)cccc2[nH]1	122917021	CIMSXIGVVDMHFM-UHFFFAOYSA-N	312.276	1.733	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)Cc2ccncc2)cc1	186392528	WGGWRJNWYYEUMT-UHFFFAOYSA-N	313.361	1.543	50	20	DDGD	
CN(NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1)C(N)=O	182660168	WKQMZGGAYAKMJD-UHFFFAOYSA-N	306.366	1.118	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H]2CCC[C@H]2CCO)cc1	188466357	VEXMVRWJHRRKDC-ZFWWWQNUSA-N	319.405	1.744	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCCCc2c[nH]nn2)cc1	182122791	OIOSXEAHMYKONK-UHFFFAOYSA-N	315.377	1.541	50	20	DDGD	
CCCC[C@@H](CC)CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	42842007	BGYLAZTYZGJJAV-OCCSQVGLSA-N	319.471	1.584	50	20	DDGD	
Cc1ccnc(NNC(=O)CCc2nc(-c3ccccn3)no2)c1	88423991	SGZRQWUYRKVDHK-UHFFFAOYSA-N	324.344	1.911	50	20	DDGD	
CCn1cc(C(=O)C(=O)NNc2ccnc3ccccc23)cn1	89487231	NMBZPACHOPBQCV-UHFFFAOYSA-N	309.329	1.777	50	20	DDGD	
CCOCCNC(=O)NNC(=O)c1ccc(Cl)cc1F	83185635	YCMDHVBRNKQYQW-UHFFFAOYSA-N	303.721	1.460	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCCCCCCO	192729322	RZKFZSKFYXOSDY-UHFFFAOYSA-N	311.357	1.251	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccc(C(F)(F)F)cn2)CCN1	132202602	ATVKWJVLFXPPRU-SSDOTTSWSA-N	302.256	1.070	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2cccc([N+](=O)[O-])c2)CN1C1CC1	130200639	KCYYHJCCUCRQSS-PWSUYJOCSA-N	319.365	1.846	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNC(=O)c2ccc(Cl)cc2F)c[nH]1	82991466	NRZDSSOZHWQWEL-UHFFFAOYSA-N	323.711	1.551	50	20	DDGD	
NC(=O)c1ccc(NC(=O)NNc2ccc(Cl)nn2)cc1F	92758099	VYQVPHBKDUITFO-UHFFFAOYSA-N	324.703	1.517	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2CCOC3(CCC3)C2)n1	269211815	BCOZWVCBXWNPMP-JTQLQIEISA-N	307.354	1.213	50	20	DDGD	
Cc1nnc(-c2ccccc2C(=O)NNC(=O)C(C)(C)C)o1	268849982	WJIKUWFJBGFIOL-UHFFFAOYSA-N	302.334	1.852	50	20	DDGD	
Cc1c(NNC(=O)[C@H](C)NC(=O)C(C)(C)C)cccc1[N+](=O)[O-]	269632472	XPDYSACKSLJKPZ-JTQLQIEISA-N	322.365	1.897	50	20	DDGD	
C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CC=C(C#N)CC1	272560674	BXBQTIPAMRCQRM-LBPRGKRZSA-N	313.357	1.940	50	20	DDGD	
C=C(CBr)CN1CCC(CN2CCOCC2)CC1	366183487	MOIFKBSZHGIKTJ-UHFFFAOYSA-N	317.271	1.982	50	20	DDGD	
Cc1sc(CC(=O)NNC(=O)c2ccccn2)nc1C(C)C	278998027	RAERGTUHGXFRSV-UHFFFAOYSA-N	318.402	1.974	50	20	DDGD	
CCc1cc(NC(=O)NNC(=O)c2ccccc2C)n(C)n1	273361061	AJXAZKLKMHOVOA-UHFFFAOYSA-N	301.350	1.757	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2n[nH]cc2C1)c1ccc(Cl)nc1	362737587	QXSSRIWXUQAPBF-MRVPVSSYSA-N	319.752	1.024	50	20	DDGD	
CCCOc1cccc(NC(=O)C(=O)NNC(=O)CC2CC2)c1	274039129	FLZIKBOLJZUHTM-UHFFFAOYSA-N	319.361	1.361	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)N[C@@H]1CCOC2(CCC2)C1	276918176	PPYMEFZEALPXOX-LLVKDONJSA-N	316.365	1.457	50	20	DDGD	
CC(C)(O)CC(=O)NNC(=O)Cc1cccc2ccccc12	280566802	CCZWMVFHAKBWEN-UHFFFAOYSA-N	300.358	1.691	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NNc2cccc(F)n2)C1	286700109	YIZDMHOUWGUZEZ-RYUDHWBXSA-N	322.384	1.949	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)Cc2c(C)n[nH]c2C)n1	288575652	XVGDHIVMGFFEPJ-UHFFFAOYSA-N	317.397	1.349	50	20	DDGD	
COC(=O)N(C)NC(=O)CCc1cccc(OC(C)(C)C)n1	286428993	QWPYZTSTXVVMNZ-UHFFFAOYSA-N	309.366	1.921	50	20	DDGD	
Cn1ccnc(NNC(=O)CC2CC(c3ccccc3)C2)c1=O	282104979	WIQINNKSDPFQKT-UHFFFAOYSA-N	312.373	1.807	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)c2ccccc2)[C@H]1[C@H]1CCCO1	290944728	CCXUWPRWYKXITH-KGLIPLIRSA-N	317.389	1.930	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2ccc(-c3cnn(C)c3)s2)n[nH]1	800814185	KQHMXLUNFWEATM-UHFFFAOYSA-N	314.374	1.944	50	20	DDGD	
COCCn1cc(NC(=O)NNc2ncc(F)cc2F)cn1	296421405	SBXGWRJZJIFNRE-UHFFFAOYSA-N	312.280	1.351	50	20	DDGD	
COCCCn1nccc1/C=C(\C#N)C(=O)C1CCOCC1	802706593	SOZMJHVUBQEKCJ-SDNWHVSQSA-N	303.362	1.822	50	20	DDGD	
O=C(C[C@H]1CCCC(=O)N1)NNc1cc(C(F)(F)F)ccn1	295358395	NTSWJPBLGGLKSY-SECBINFHSA-N	316.283	1.602	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CC(=O)NNC(=O)N=c1cc[nH]cc1	802030609	KRBWZGCJDKAIBX-SECBINFHSA-N	317.349	1.455	50	20	DDGD	
CCOC(=O)CCCNC(=O)NNc1ccc(Cl)nn1	298651079	DKEGWUQUVXFMMR-UHFFFAOYSA-N	301.734	1.099	50	20	DDGD	
C[C@@H](COCc1ccccc1)NC(=O)NNC(=O)[C@@H]1CCCO1	293254338	GRPXQENKIGOTJR-JSGCOSHPSA-N	321.377	1.101	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)CNc1ccc(OC)cc1	807946411	UBTMWOBBRKQSBO-UHFFFAOYSA-N	311.345	1.087	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)c2ccc(Cl)cc2)n(C)n1	807221446	BVRFOENBHYIXSR-UHFFFAOYSA-N	321.768	1.526	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cnc(OC(C)C)c(Cl)c1	804124863	FXUKMXRKBPDKTB-UHFFFAOYSA-N	301.730	1.865	50	20	DDGD	
CCC1=C(C(=O)NNC(=O)Cc2ccccc2OC)CCCO1	806560824	OZEKTIJPZLXUBP-UHFFFAOYSA-N	318.373	1.860	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H](C)c1cnn(C)c1	805373496	QQBHYSRVAYLYAY-JTQLQIEISA-N	303.322	1.884	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CN(C)[C@H]1CCSC1	805379565	HYONFTVLTFQBLA-LBPRGKRZSA-N	324.406	1.784	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)NC(C)C)CCOCC1	299312185	TYIGHEGIDWYKCU-UHFFFAOYSA-N	319.405	1.782	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Oc1ccncc1)NC1CC1	801141111	YFOUNMZFSAACFH-UHFFFAOYSA-N	312.329	1.980	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H]1C[C@H](C)CC(=O)N1	294076791	QUDLLUKKBRVMNC-UFBFGSQYSA-N	306.322	1.261	50	20	DDGD	
C[C@@H](CBr)COC(=O)c1ccoc1CC(N)=O	803944442	SUPNVOAOCGWYSG-ZETCQYMHSA-N	304.140	1.495	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(C(F)(F)F)[nH]1	807975302	NKOGBIMAMYKGDM-MRVPVSSYSA-N	307.272	1.535	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)C(F)(F)C1(O)CCCC1	806536604	GUVBILHIZNKJAY-UHFFFAOYSA-N	304.215	1.027	50	20	DDGD	
COc1cc(C(=O)NNc2ncccc2F)cc2c1OCCO2	804216252	DWGDWDLQIBHUBQ-UHFFFAOYSA-N	319.292	1.757	50	20	DDGD	
O=C(C[C@@H](O)c1ccc(Cl)cc1)NNc1ncncc1F	817078645	NRZBOCHNRDFFBJ-LLVKDONJSA-N	310.716	1.836	50	20	DDGD	
O=C(Cc1c[nH]c2ccc(F)cc12)NNc1ncncc1F	817083170	ZUPAZMHMAPQCAY-UHFFFAOYSA-N	303.272	1.922	50	20	DDGD	
NC(=O)[C@H]1CC[C@H](CNC(=O)NNc2ncccc2F)CC1	817174931	BQBISAGUBIYDBY-MGCOHNPYSA-N	309.345	1.139	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1C[C@@H]2CC[C@H](C1)N2CCOC	814757496	DRJUWHFXBZVIGM-IYBDPMFKSA-N	324.469	1.464	50	20	DDGD	
COc1ccc(NCC(=O)NN=C(C)C2CCN(C)CC2)cc1	814708826	SRMAONJCGDQMSB-UHFFFAOYSA-N	318.421	1.941	50	20	DDGD	
CC(C)CNC(=O)N1CCC[C@H](C(=O)NNC(=O)CC2CC2)C1	819117832	FUEMVSKNWJBZIO-ZDUSSCGKSA-N	324.425	1.012	50	20	DDGD	
CCOc1ccc(NNC(=O)C(=O)Nc2cc(C)on2)cc1	815816914	STNHVENXTDPZGD-UHFFFAOYSA-N	304.306	1.464	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1cc(-c2cccc(Cl)c2)on1	816633073	MEYNSMNHBBYFNI-UHFFFAOYSA-N	304.697	1.870	50	20	DDGD	
CS(=O)(=O)/C(C#N)=C/c1ccc(N2CCOCC2)c(F)c1	727264792	WKUFSOORDXVUDW-XYOKQWHBSA-N	310.350	1.571	50	20	DDGD	
O=C(NN=C1CCCC12CCCC2)N[C@H]1CCS(=O)(=O)C1	814816409	UETZAVSSMCKIDQ-NSHDSACASA-N	313.423	1.573	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1c(Cl)nc(Cl)n1C	814865230	OSPCAJDGWHPPBP-SSDOTTSWSA-N	323.180	1.229	50	20	DDGD	
O=C(CCc1ccc2ccccc2n1)NNC(=O)NCC1CC1	813423897	CPTASQQSMNKBBH-UHFFFAOYSA-N	312.373	1.908	50	20	DDGD	
CN1CC[C@@H](NS(=O)(=O)c2ccc(CCCCl)cc2)C1	726973601	CIHURGYQGIMYII-CYBMUJFWSA-N	316.854	1.840	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@H](Cc1ccc(F)cc1)C(C)C	828722079	JXGLBQBBRXLQCH-OAHLLOKOSA-N	323.412	1.786	50	20	DDGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cnnn2C)cc1OC	490691004	DWKSQBSUHRBEHW-UXBLZVDNSA-N	313.317	1.378	50	20	DDGD	
Cc1ccc(-c2nn[nH]n2)cc1NC(=O)NN=c1cc[nH]cc1	826277827	IKNCGMKMKVWPQU-UHFFFAOYSA-N	310.321	1.141	50	20	DDGD	
Cn1cccc1C(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1F	822689174	HCBHQPDSWSRNAR-UHFFFAOYSA-N	313.296	1.108	50	20	DDGD	
COC(=O)NN=C1CCS(=O)(=O)c2ccc(Cl)cc21	490575297	AAKPXWUMDRIAOE-UHFFFAOYSA-N	302.739	1.578	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cccc2[nH]ncc12	826448581	BBSWFDAZQZGPSS-UHFFFAOYSA-N	320.316	1.500	50	20	DDGD	
COC(=O)NCCNC(=O)NNc1cc(Cl)ccc1Cl	495878628	XQJJOWYLULLOAY-UHFFFAOYSA-N	321.164	1.976	50	20	DDGD	
COC(=O)Nc1cccc(C(=O)NNC(=O)c2ccccc2)c1	491087758	YPNCVVZOJUXFDC-UHFFFAOYSA-N	313.313	1.940	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1	496361412	KXTDQRQUICHLRW-RYUDHWBXSA-N	311.382	1.145	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)s1	826384307	PXQIHSZGFJHEER-UHFFFAOYSA-N	311.330	1.557	50	20	DDGD	
O=C(NCC(F)(F)F)NNc1ccc(C(F)(F)F)nn1	165535735	YCXBHCPUDGSYQU-UHFFFAOYSA-N	303.166	1.684	50	20	DDGD	
CCN(CCO)NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C	823860083	JJGHEBIMYMKUKB-UHFFFAOYSA-N	317.430	1.415	50	20	DDGD	
CN1CC[C@@H](C(=O)NNC(=O)c2c(Cl)cccc2Cl)C1	729534219	KVGWUJJLXYSCSU-MRVPVSSYSA-N	316.188	1.706	50	20	DDGD	
CN(C(=O)c1cccc(B(O)O)c1)c1ccc(C(C)(C)C)cc1	584933373	GEQGFHXRAJOPEE-UHFFFAOYSA-N	311.190	1.941	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@H]1CCCCS1	826643817	BILVWKZOSNBKGI-HBNTYKKESA-N	301.412	1.028	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@](N)(c1cccc(F)c1)C(F)(F)F	495842780	YPVVNJPMZIPYRZ-LLVKDONJSA-N	323.246	1.271	50	20	DDGD	
OB(O)c1cccc(CNCCOCc2ccc(Cl)cc2)c1	585031784	JQYCKRQDQXWCGT-UHFFFAOYSA-N	319.597	1.326	50	20	DDGD	
C[C@]1(C(=O)N2CCO[C@@H](c3ncon3)C2)C[C@H]1Br	907306120	HMOJPZXPGWLXFQ-XLDPMVHQSA-N	316.155	1.143	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc(OC)cc1C	901966102	LNMRYOSGXAJRDU-UHFFFAOYSA-N	310.375	1.117	50	20	DDGD	
O=C(/C=C\c1ccccc1-c1nn[nH]n1)NNc1ccccn1	826402325	RABRVBYGAZEFQW-HJWRWDBZSA-N	307.317	1.418	50	20	DDGD	
CC(=O)N[C@H](CC(=O)NNC(=O)C1CCC1)c1ccc(C)cc1	732144489	WCPZCSXDPLXWTC-OAHLLOKOSA-N	317.389	1.510	50	20	DDGD	
CC(C)OC(=O)[C@@H]1CCCN1C(=O)/C(C#N)=C\c1cnn(C)c1	491177728	YLHQYBQUBRQNKT-LVOZBFFPSA-N	316.361	1.270	50	20	DDGD	
C[C@]1(C(=O)NCCCOC[C@H]2CCOC2)C[C@@H]1Br	906777618	JQGVTMQMXBTTSP-MDZLAQPJSA-N	320.227	1.719	50	20	DDGD	
CC(C)CN(CC(=O)NNC(=O)C1CC1)c1ccc(C#N)cc1	733194857	RPAVTRRZIXXBQE-UHFFFAOYSA-N	314.389	1.578	50	20	DDGD	
OB(O)c1cccc(CNCc2cc3c(s2)CCSC3)c1	585030939	LVEXLDWOWAARER-UHFFFAOYSA-N	319.260	1.507	50	20	DDGD	
CC1(C)CN(C(=O)c2cc(B(O)O)ccc2F)CC(C)(C)C1	584976555	RNRGHWKLQGKGQB-UHFFFAOYSA-N	307.174	1.404	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C(=O)C(C)(C)C)cc1OC	733909376	LNMVFFUXVODOKI-UHFFFAOYSA-N	308.334	1.080	50	20	DDGD	
O=C(NN=C(C[C@H]1CCCO1)c1ccc(F)cc1)c1ncon1	901287689	XNYMYFBVVJELOT-GFCCVEGCSA-N	318.308	1.912	50	20	DDGD	
CC(C)CN1C[C@@H](C(=O)NNc2ccc(F)cc2F)CC1=O	733364353	HMWLLBMRALPUFB-JTQLQIEISA-N	311.332	1.912	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(F)cc([N+](=O)[O-])c2)n1	731454858	RUYJWNLOCSCOJI-UHFFFAOYSA-N	307.241	1.289	50	20	DDGD	
C#Cc1ccc(C(=O)NNc2ccc(C(=O)O)cc2OC)nc1	833368550	QILUIWZSHIFEIY-UHFFFAOYSA-N	311.297	1.527	50	20	DDGD	
O=C(CNC(=O)c1cccc(Cl)c1)NNC(=O)C1CCC1	732140781	JXTOQEWOYIMLLB-UHFFFAOYSA-N	309.753	1.017	50	20	DDGD	
C[C@H]1CN(C(=O)[C@]2(C)C[C@@H]2Br)C[C@@H](C)N1CCO	909033346	OJNCUZCRRAUGIY-SRRSOLGSSA-N	319.243	1.073	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1cc(=O)c2ccccc2o1	735687564	PHYCMHKSUJYPMO-UHFFFAOYSA-N	316.704	1.993	50	20	DDGD	
CCn1ccnc1[C@@H](C)NC(=O)NNc1cccc(OC)n1	836627205	KATYIRBNGBIPQT-SNVBAGLBSA-N	304.354	1.694	50	20	DDGD	
CC[C@H](NC(=O)c1ccc(B(O)O)cc1)c1csc(C)c1	585003818	QZAQGRJEVSADGJ-AWEZNQCLSA-N	303.192	1.617	50	20	DDGD	
Cc1cc(C(=O)O)c(F)c(S(=O)(=O)N2CC=C(C#N)CC2)c1	906924441	FGNOXIMQCQHVKW-UHFFFAOYSA-N	324.333	1.677	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNC(=O)c1cc(Cl)ccc1O	839478781	PGEFRVQCICDAON-NSHDSACASA-N	300.742	1.622	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2cnc(-c3ccccc3)nc2)cn1	735411289	VQZFYPUSDVEGOK-UHFFFAOYSA-N	306.329	1.641	50	20	DDGD	
C[C@H]1[C@@H](NCc2cccc(B(O)O)c2)CCN1Cc1ccccc1	585041648	RQZAUWIXSOLTHF-KXBFYZLASA-N	324.233	1.119	50	20	DDGD	
COC[C@H](NCc1ccc(B(O)O)cc1)c1ccc(Cl)cc1	585039532	WPEFWWYSOGKOJZ-INIZCTEOSA-N	319.597	1.497	50	20	DDGD	
Cc1cc(C(=O)N2CC[C@@H](B(O)O)C2)cc(C)c1OC(F)F	585068147	ZHGMJQBHDYQNOM-LLVKDONJSA-N	313.109	1.594	50	20	DDGD	
COc1cccc([C@@H]2C[C@H]2NC(=O)NNC(=O)CC(C)C)c1	836637920	VDYFIBVJFIJQKE-UONOGXRCSA-N	305.378	1.928	50	20	DDGD	
O=C(NN=CC1(CN2CCOCC2)CCCCC1)c1ncon1	901290245	UIZTWEYYBFZFFW-UHFFFAOYSA-N	321.381	1.068	50	20	DDGD	
CC(Cc1ccccn1)=NNC(=O)[C@@H](C)CN1CCOCC1	834932913	LUVVJIGNZDSTRP-ZDUSSCGKSA-N	304.394	1.085	50	20	DDGD	
Cc1cc(N2CCCC2)ccc1NCc1cccc(B(O)O)c1	585013265	WZDORYVTGKDPKZ-UHFFFAOYSA-N	310.206	1.887	50	20	DDGD	
CC(C)(CC(=O)NNC(=O)C1CCC1)NC(=O)OC(C)(C)C	739729102	VQVOJTMWLQJYSE-UHFFFAOYSA-N	313.398	1.627	50	20	DDGD	
Cc1ccccc1OCCNC(=O)NNC(=O)CC(F)(F)F	918126853	FNEVNHMANYJLEB-UHFFFAOYSA-N	319.283	1.657	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCCCO2)cc(OC)c1OC	834989436	HPVGZINUODMEHW-LBPRGKRZSA-N	322.361	1.732	50	20	DDGD	
O=C(CCn1cccc1)NNC(=O)c1ccc2c(c1)OCO2	746092333	JTWVPCXXLWJVPO-UHFFFAOYSA-N	301.302	1.068	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cc2c(s1)CCC2)c1cnn(C)c1	749865730	QVSJPOJCKVPIBR-VIFPVBQESA-N	318.402	1.535	50	20	DDGD	
COc1cc(C(C)=NNC(=O)C(=O)NC(C)C)ccc1SC	747611262	JHVGCQUPBZHDNU-UHFFFAOYSA-N	323.418	1.782	50	20	DDGD	
COCCN(C)NC(=O)C1(c2ccc(OC)cc2)CCOCC1	837623474	PZGCNEBBLZVNFW-UHFFFAOYSA-N	322.405	1.353	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNc1cnc2ccccc2n1	839741728	WTOBKIYDZYKUHD-SNVBAGLBSA-N	301.350	1.221	50	20	DDGD	
CCCCNC(=S)NNC(=O)[C@H](C)CN1CCCCC1	916117712	JIWCKNNRBIHLLX-GFCCVEGCSA-N	300.472	1.404	50	20	DDGD	
O=C(NNC(=O)c1c(F)c(F)cc(F)c1F)c1ccccn1	748516726	KFAFOMXMGZZNTB-UHFFFAOYSA-N	313.210	1.713	50	20	DDGD	
COCCOCC(C)=NNC(=O)c1cc(OC)cc(OC)c1	741162080	SHDXJCSBUWQFAK-UHFFFAOYSA-N	310.350	1.473	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2nc(S)oc2c1	843980094	RHGLDVJSIKWVDL-CBAPKCEASA-N	321.358	1.303	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)Cc2cc(O)nc(S)n2)C[C@@H](C)C1	747751700	NKYXKAVPHBWSHR-IUCAKERBSA-N	308.407	1.942	50	20	DDGD	
Cc1ccc(SCC(=O)NN=C2CCS(=O)(=O)C2)cc1	912797684	JYRBRIIFGTYGAU-UHFFFAOYSA-N	312.416	1.378	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1	749160935	HGFJBRINIRYNHO-CQSZACIVSA-N	304.394	1.097	50	20	DDGD	
COc1cc(OC)c(C(=O)NNC(=O)c2ccc[nH]2)cc1OC	747654430	NOXLASDGRQUGMJ-UHFFFAOYSA-N	319.317	1.115	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1csc([N+](=O)[O-])c1	740763940	UMSNUCLAPCYMRK-UHFFFAOYSA-N	312.351	1.411	50	20	DDGD	
CCc1ccc(-c2cc(C(=O)NN(C)C[C@@H](C)O)no2)cc1	910182773	JWGCTSFCEQVMAP-LLVKDONJSA-N	303.362	1.861	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)COc1cccc(Cl)c1	843644406	FEBGVJINJBCNKD-BXKDBHETSA-N	312.753	1.291	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C	748635247	QOOWTIXHEHPIQC-FDYHWXHSSA-N	315.414	1.193	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1cnc(C2OCCO2)s1	842561591	LKIDTXLQWHJPEG-PSASIEDQSA-N	311.363	1.064	50	20	DDGD	
CC(C)c1ccc(CCC(=O)NNC(=O)c2ncccn2)cc1	841353452	AYYVZKQGEJDIQY-UHFFFAOYSA-N	312.373	1.994	50	20	DDGD	
O=C(O)c1ccc2[nH]cc(C=NNC(=O)N3CCOCC3)c2c1	740189453	JWILQMBQXSASLZ-UHFFFAOYSA-N	316.317	1.242	50	20	DDGD	
CCc1ccc2c(c1)C(=NNC(=O)Cc1ccncc1)C(=O)N2	747645257	BTTSJBVWZQTQPQ-UHFFFAOYSA-N	308.341	1.659	50	20	DDGD	
O=C(CCCn1ccccc1=O)NNc1cccc([N+](=O)[O-])c1	748000639	QDDARIXBOHCNAF-UHFFFAOYSA-N	316.317	1.680	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NN(C)C[C@H](C)O)cc1OC	910152266	NBZKKIMHPLLZLR-RYUDHWBXSA-N	310.394	1.226	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)[C@@H]1CC12CCOCC2	748845263	AVNMRTICSYNLKZ-NSHDSACASA-N	315.333	1.391	50	20	DDGD	
O=C(CC(F)(F)F)NN=C1CCN(Cc2ccccc2)C1=O	743439455	XBZNGRMVZMXZNP-UHFFFAOYSA-N	313.279	1.844	50	20	DDGD	
N[C@H]1CCC[C@@H](NC(=O)NNC(=O)c2cccc(Cl)c2)C1	841981829	KORUCUXVNAHLAN-NWDGAFQWSA-N	310.785	1.554	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=S)NC1(C)CCC1	840705079	XXRTZTBIHQJYMQ-UHFFFAOYSA-N	323.418	1.512	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNC(=O)c1cc2ccccc2o1)C(C)C	749476435	JVSJXXPRDCHVMG-AWEZNQCLSA-N	317.345	1.355	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cc2ccsc2[nH]1	747429588	SBJUJWQYCHRCCH-UHFFFAOYSA-N	300.343	1.628	50	20	DDGD	
COC[C@@H](NC(=O)NNc1ccc(F)c(F)c1)[C@@H]1CCCO1	922248004	GOYODBZIKVJFBO-OLZOCXBDSA-N	315.320	1.785	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(OC)c(Cl)c1	748252484	FQOFYZIEDYSSHP-JTQLQIEISA-N	314.769	1.850	50	20	DDGD	
COCC(CC(C)(C)C)=NNC(=O)CNC(=O)c1ccco1	844579795	DDFWZWPIAMFIAO-UHFFFAOYSA-N	309.366	1.564	50	20	DDGD	
CN(C)C1(CNC(=O)NNc2ccc([N+](=O)[O-])cc2F)CC1	922988731	UYTVDESVCUXBQD-UHFFFAOYSA-N	311.317	1.454	50	20	DDGD	
Cc1[nH]nc2ncc(C(=O)NNC(=S)NCC3CCC3)cc12	855092009	MMQZWQADAOTQAW-UHFFFAOYSA-N	318.406	1.175	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(Br)c(OC)c1	858781611	FYPWYPMLGKOXGY-UHFFFAOYSA-N	316.155	1.422	50	20	DDGD	
COCCN(C[C@@H](CBr)C1CC1)[C@H](C)C(N)=O	859131566	WPIZNIQVWMWJBS-MWLCHTKSSA-N	307.232	1.230	50	20	DDGD	
O=C(/C=C/c1cncc(F)c1)NNC(=S)NCC1CCC1	855091368	NITGFKRSJHMMKE-SNAWJCMRSA-N	308.382	1.529	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)c2cnc[nH]2)cc1OC	750865509	KCNYNHYNEGZXTK-UHFFFAOYSA-N	318.333	1.282	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1cccc2c1OCCC2=O	757978597	NQQSIBKDQGEFKV-UHFFFAOYSA-N	303.318	1.605	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1c[nH]c2nccc-2c1)C1CC1	855096534	XCLUVYALKSRDSD-QMMMGPOBSA-N	303.391	1.422	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1c(F)ccc2ccncc12	855005584	HZSHQDNNRSAVPB-GXSJLCMTSA-N	317.320	1.560	50	20	DDGD	
C[C@@]1(CNC(=O)c2nc3ncccn3n2)C[C@H]1Br	857686747	DHVCUZLYUDQTEX-HQJQHLMTSA-N	310.155	1.028	50	20	DDGD	
C[C@@]1(CNC(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1Br	857399827	STYPCHACRNJCRE-KCJUWKMLSA-N	300.156	1.017	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2cnc(N(C)C)n2C)cc1F	853834046	RQBHQJJZCAKTCF-UHFFFAOYSA-N	320.372	1.760	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1	854284842	AHJRFVFZLRTBMO-YNEHKIRRSA-N	315.483	1.933	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@@]2(C)C[C@@H]2Br)CCC(=O)N1	856862476	AKMGTSRCYYBCEE-XXILOJSOSA-N	318.215	1.128	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNC(=O)COCc1ccccc1	859488986	GAEODROMBSLUNJ-AWEZNQCLSA-N	308.378	1.556	50	20	DDGD	
O=C(CSCc1ccncc1)NNC(=S)NCC1CCC1	855092113	QTGNNZAPZBEWEU-UHFFFAOYSA-N	324.475	1.610	50	20	DDGD	
CC(=NNC(=O)c1cc[nH]n1)c1ccc(OCCN(C)C)cc1	853392153	FITLEAWWNIIKGK-UHFFFAOYSA-N	315.377	1.504	50	20	DDGD	
CCC(=NNC(=O)COc1ccc(OC)cc1)c1nccn1C	755504849	MDSOMZGFINCUSJ-UHFFFAOYSA-N	316.361	1.738	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C(C)(C)c1ccccn1	854286429	WXIOQZWCTDFCHV-UHFFFAOYSA-N	324.450	1.233	50	20	DDGD	
C=CCCOCCNC(=O)NNc1ccc([N+](=O)[O-])cc1F	853910344	KXCMNICWBVBENL-UHFFFAOYSA-N	312.301	1.953	50	20	DDGD	
C[C@@H]1NCCN(C(=O)NC[C@]2(C)C[C@H]2Br)[C@H]1C	857105648	OWJWGYIFWXRKAV-GUDRVLHUSA-N	304.232	1.552	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNc1ccnc(Cl)c1	855469213	XFRAQGLHRWDMIE-UHFFFAOYSA-N	300.746	1.703	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2cccc([N+](=O)[O-])c2)CN1C1CC1	753965740	GYZKRTYCGSHUSB-JTQLQIEISA-N	302.334	1.937	50	20	DDGD	
CN(C)c1nccc(NNC(=O)Cc2cccc(F)c2F)n1	755819372	LKARQLGTCXVYFX-UHFFFAOYSA-N	307.304	1.507	50	20	DDGD	
CN(C)c1nccc(NNC(=O)Cc2ccc(F)c(F)c2)n1	755817041	AFVUOOLBGHKYNO-UHFFFAOYSA-N	307.304	1.507	50	20	DDGD	
CN(C[C@@H]1CCCCO1)C(=O)NNC(=O)c1cccc(F)n1	852710148	JKNZCEHKPNXLIZ-JTQLQIEISA-N	310.329	1.076	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Nc1cccc(N)c1C	859725068	QTBMZAKXLWGRQC-UHFFFAOYSA-N	324.381	1.519	50	20	DDGD	
CCCNC(=O)NNC(=O)C(F)(F)c1ccccc1OCC	753494013	KORKFPXHQHLCIV-UHFFFAOYSA-N	315.320	1.918	50	20	DDGD	
O=C(NC[C@H]1COCCN1)NNc1cc(Cl)cc(Cl)c1	861684542	NVELOAJZUQQWRP-NSHDSACASA-N	319.192	1.608	50	20	DDGD	
CC(C)N1CCC(CCNC(=O)NNc2ccncn2)CC1	868945563	KQBBEPMXVHVOQW-UHFFFAOYSA-N	306.414	1.613	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)c2c[nH]nc2C)c(Cl)c1	762204984	OZRPBAAFRQULGS-UHFFFAOYSA-N	306.753	1.684	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1cn[nH]c1	768278180	ZCOGTUJGDHOTHB-UHFFFAOYSA-N	314.280	1.014	50	20	DDGD	
Cc1cnccc1C(=O)NNC(=O)Cn1ccc2ccccc21	769930118	HWGLBZYVTHELPK-UHFFFAOYSA-N	308.341	1.806	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H]2CCN(C(=O)c3ccccc3)C2)n1	862517672	FTCVJWXOGYUTCM-HNNXBMFYSA-N	324.384	1.995	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)Nc2cccc(C#N)c2)n1	763267666	KGHGOLIQMGFTSS-UHFFFAOYSA-N	310.317	1.047	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(O[C@H](C)CC)cc1	763440439	FEITUVUMZBLDKV-SNVBAGLBSA-N	307.350	1.360	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1ccc(N(C)C(C)=O)cc1	864349604	PYBQYTCTZSBUFH-KAMYIIQDSA-N	301.346	1.729	50	20	DDGD	
CSc1cccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1C	860881424	ZAQGMFXCAJCQHA-JTQLQIEISA-N	322.390	1.148	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)C(=O)Nc1ccc(F)cc1F	764069540	DOTXIQHRYLUZAZ-UHFFFAOYSA-N	311.288	1.241	50	20	DDGD	
N#C/C(=C/c1ccc(CC(=O)O)cc1)S(=O)(=O)NC1CC1	863188692	JWHCEJWNZCDIBC-QPEQYQDCSA-N	306.343	1.260	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)cc[nH]1	862511985	FUKNEWFKVGTKRW-NEPJUHHUSA-N	322.409	1.804	50	20	DDGD	
OB(O)c1cccc(CNc2ccc3c(c2)OC(F)(F)O3)c1	864018927	FDPVRARBGSJVLM-UHFFFAOYSA-N	307.061	1.300	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(C[C@H](C)C(=O)OC)cc1	760087199	MULXBECAUOSHTN-JTQLQIEISA-N	307.350	1.601	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)N[C@@H]1C[C@H]1C(F)(F)F	868791683	RXKBCCJSGYMOCN-IYSWYEEDSA-N	306.219	1.116	50	20	DDGD	
C[C@@H]1CN(C(=O)C(=O)NC[C@]2(C)C[C@@H]2Br)C[C@H]1C	1118764834	OXDGSPPSVHGTBF-DNJQJEMRSA-N	317.227	1.391	50	20	DDGD	
O=C(/C=C/CN1CCOCC1)NNc1ccc(F)c(Cl)c1	869453841	LHDHPEGHLHIWAC-OWOJBTEDSA-N	313.760	1.811	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2cc(C3CC3)n(C)n2)c1	862476041	GFRBNIYBXKLFGJ-UHFFFAOYSA-N	304.375	1.742	50	20	DDGD	
CC(C)C[C@H](C)n1nccc1NC(=O)C(=O)NNC(=O)C(C)C	763816970	UEVBGVVAYBMSAW-NSHDSACASA-N	323.397	1.232	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2ccnn2CC2CC2)cc1	872411627	MMZWNCYFDBPVGA-UHFFFAOYSA-N	312.329	1.755	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)NNc2cccnn2)C1	779088196	JYMPYYZFZPAIPP-NSHDSACASA-N	321.381	1.567	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NOC[C@H]2CCOC2)nn1	1116733624	LALIGEMCUOCPHL-JTQLQIEISA-N	309.370	1.368	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cccc(OC2CCCC2)c1	779817399	QESYKHDSIWSDRU-UHFFFAOYSA-N	319.361	1.814	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H](c1ccco1)N1CCCCC1	874994156	AXFGLQRFMBSCGP-GFCCVEGCSA-N	324.381	1.719	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@H](C)c2nnc3n2CCC3)n1	875255616	AYYUEKUPYIWTNA-SNVBAGLBSA-N	301.354	1.315	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)NNc1ncc(Cl)cc1Cl	775272246	BODRAKRUGCKGPM-UHFFFAOYSA-N	305.165	1.746	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1c(O)cccc1F	772947780	PLGPFEXEZAQZES-UHFFFAOYSA-N	315.264	1.733	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)C1CCCC1)c1cccc(OC)c1	871870887	LBHLNYQJEBLSMC-AWEZNQCLSA-N	306.362	1.720	50	20	DDGD	
Cn1cc2c(n1)CCC[C@@H]2C(=O)NNC(=S)NC(C)(C)C	1119594180	MSRQFFAOLRQHQY-VIFPVBQESA-N	309.439	1.134	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@H]2CCN(CC(C)C)C2)cc[nH]1	875369871	QHKVVUOFYISIJF-CQSZACIVSA-N	305.426	1.416	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNC(=S)Nc1ccccn1)C(C)C	874957129	BRHHVMZAKCDQBW-LLVKDONJSA-N	324.406	1.235	50	20	DDGD	
COc1ccc2c(c1)CCC2=NNC(=O)C(=O)N1CCCC1	872347599	UFOUKJVAEYWLPX-UHFFFAOYSA-N	301.346	1.084	50	20	DDGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C=NNC(=O)CO	776780568	UOMLKZIXGFZSKS-UHFFFAOYSA-N	320.780	1.644	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1CCN(C(C)=O)c2ccccc21	875428573	MMXGFTMTQHLHRQ-LBPRGKRZSA-N	320.349	1.397	50	20	DDGD	
COc1ncncc1NC(=O)C(=O)NNc1cccc(Cl)c1	773745603	NJBSBCZTLNJIRR-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
CCCC[C@H]1CCC[C@@H]1NC(=O)NNC(=O)c1cccnn1	883316741	JGLMOIOYRCLZKN-RYUDHWBXSA-N	305.382	1.780	50	20	DDGD	
Cc1nnc2n1C[C@H](C(=O)NNc1ccc3ccccc3n1)CC2	777466463	AKQMAWRGQKHSCN-CYBMUJFWSA-N	322.372	1.840	50	20	DDGD	
C=CCC1(O)CCN(C(=O)NNC(=O)c2cccc(C)n2)CC1	884310574	AZXLRVGKNMDVTE-UHFFFAOYSA-N	318.377	1.147	50	20	DDGD	
COC(=O)Cc1cn([C@]2(Cl)C[C@@H]2CCBr)nn1	881384116	ZSKUYZHKHCSIDN-OIBJUYFYSA-N	322.590	1.690	50	20	DDGD	
Cc1ncc2c(n1)CCC[C@@H]2NS(=O)(=O)CBr	782443862	AAFVETBIQVFTPH-JTQLQIEISA-N	320.212	1.434	50	20	DDGD	
CCOc1c(Cl)cccc1C=NNC(=O)CN1CCCC1=O	782169888	XGVPJPPBOZTLED-UHFFFAOYSA-N	323.780	1.811	50	20	DDGD	
COc1ccc(C=NNC(=O)Cc2nc3ccccc3n2C)cn1	780198355	ZQCKKBOWQUILDE-UHFFFAOYSA-N	323.356	1.670	50	20	DDGD	
C[C@]1(C#N)CCCN(C(=O)NNC(=O)c2cccc(C#N)c2)C1	784287207	YAVCNKCMWDMAME-MRXNPFEDSA-N	311.345	1.538	50	20	DDGD	
C=C/C=C\CCNC(=O)NNC(=O)COc1ccccc1OC	883416286	RDZBDWNGSUUBOJ-PLNGDYQASA-N	319.361	1.537	50	20	DDGD	
NC(=O)NCCCCC(=O)NNc1c(F)cc(F)cc1F	885148718	FBTNMELVIDHJME-UHFFFAOYSA-N	304.272	1.386	50	20	DDGD	
CCCCNC(=O)NN=C1CCOC[C@@H]1CN1CCCCC1	787153999	SUBIZXZUIWLTNL-AWEZNQCLSA-N	310.442	1.964	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1nnn(CC2CCCC2)c1C	788741150	FQPWKMQZEJBNNJ-UHFFFAOYSA-N	322.413	1.521	50	20	DDGD	
O=C(Cn1ccc(C(F)(F)F)n1)NNc1ncncc1Cl	781818966	SOJVBQLOVOEGJH-UHFFFAOYSA-N	320.662	1.489	50	20	DDGD	
COC(=O)C[C@@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(C)(C)C	889170500	XLICNWIEQRZSCA-MVXISAMASA-N	318.377	1.421	50	20	DDGD	
N#C/C(=C\c1ccccc1)C(=O)OCCn1ccc([N+](=O)[O-])n1	785377839	AVONDULERBPBRZ-JLHYYAGUSA-N	312.285	1.942	50	20	DDGD	
C[C@]1(NCC(=O)NNC(=O)c2cccs2)CCO[C@@H]1C1CC1	784592546	HRTTYWOFLAMFOI-HIFRSBDPSA-N	323.418	1.056	50	20	DDGD	
CC(C)(C(=O)NNc1ccccc1[N+](=O)[O-])N1CCOCC1	788302424	YUFSEDQQIPKGCA-UHFFFAOYSA-N	308.338	1.149	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1CCCCN1C(=O)CC(C)C	1124052511	YFXGRPVVWBWLGD-CQSZACIVSA-N	321.421	1.365	50	20	DDGD	
O=C(NNc1c(F)cccc1F)c1cccn2c(O)nnc12	780991796	GUAWBSUFIONVIA-UHFFFAOYSA-N	305.244	1.470	50	20	DDGD	
C=C1CCC(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)CC1	887761942	IZWCSXSPFSBDFG-ZDUSSCGKSA-N	300.424	1.225	50	20	DDGD	
CC(C)[C@H]1C[C@H](CC(=O)NNC(=O)c2cccnn2)CCO1	882056632	BFYQNTOSZJNISF-DGCLKSJQSA-N	306.366	1.079	50	20	DDGD	
CCc1cccc2c1N(C(=O)C(=O)NNc1cc(C)ccn1)CC2	783929045	LVFPYIPCSKUJLN-UHFFFAOYSA-N	324.384	1.985	50	20	DDGD	
Cc1ncc(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)[nH]1	788253839	KXORWZPNDAVABB-UHFFFAOYSA-N	302.338	1.569	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(Cl)cc1F	783521260	PDQLXUNLUHZSRF-VIFPVBQESA-N	302.733	1.981	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cccc(OC)n1	780729719	FBCCCJNPDHKCBT-UHFFFAOYSA-N	301.302	1.634	50	20	DDGD	
O=C1NCCC[C@@H]1C(=O)NNc1nc(C(F)(F)F)cs1	896940528	XEKBKINKVNKTTD-YFKPBYRVSA-N	308.285	1.131	50	20	DDGD	
C[C@H]1[C@@H](CN2CCC(C(N)=O)(N3CCCCC3)CC2)[C@@H]1Cl	896003594	ZMGKLVZPPDDDJB-BFHYXJOUSA-N	313.873	1.666	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)CCCC2CCCCC2)CC1	788164498	BIBZMFMDSOJIKU-UHFFFAOYSA-N	310.442	1.725	50	20	DDGD	
CC1=CCCN(C(=O)NNC(=O)c2c(C)nc3ccccn23)C1	798048046	DGEDIZXJIYYFOI-UHFFFAOYSA-N	313.361	1.649	50	20	DDGD	
CCOC1(C(=O)NNC(=O)Nc2ccccc2)CCOCC1	794799777	SYICBBPCXDJBHW-UHFFFAOYSA-N	307.350	1.425	50	20	DDGD	
CN(NC(=O)C(=O)Nc1cccc2c1CCO2)c1ccccc1	797054987	PFGCIWYEYGZHPH-UHFFFAOYSA-N	311.341	1.728	50	20	DDGD	
CNc1nc(C)cc(C(=O)NNC(=O)c2cccc(Cl)c2)n1	798150056	FGDLGRUNWKBRQZ-UHFFFAOYSA-N	319.752	1.555	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)[C@H]1CC12CCC2	795160606	FQSFYWMEDIGICD-LLVKDONJSA-N	323.418	1.570	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2cc(Cl)cc(Cl)c2)CCN1	791727264	ULAIZKNFHVIFHY-ZETCQYMHSA-N	302.161	1.963	50	20	DDGD	
NC(=O)[C@H]1CCC[C@H](C(=O)NNc2cccc(F)c2[N+](=O)[O-])C1	791066460	IKZRZSZKGMMKPG-IUCAKERBSA-N	324.312	1.469	50	20	DDGD	
C=CCC1(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)CCC1	791559872	BSWZVSYWJYXCLN-LBPRGKRZSA-N	310.394	1.858	50	20	DDGD	
Cn1c(C(=O)NNC(=O)c2ccncc2)cc2ccccc2c1=O	794716302	RCVDJLDXFLWEQC-UHFFFAOYSA-N	322.324	1.008	50	20	DDGD	
Cc1cccc(CCNC(=O)NNC(=O)c2ccccc2F)n1	792239515	HMOMBYFDJYDXDE-UHFFFAOYSA-N	316.336	1.716	50	20	DDGD	
CN1CCCC(C)(C)[C@@H]1CNC(=O)NNC(=O)c1ccc[nH]1	790890327	JMFDDYWIYZYJHE-LBPRGKRZSA-N	307.398	1.079	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2cccnc2F)cc1	791197254	OSNZJDWPTQZAMW-UHFFFAOYSA-N	318.308	1.102	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C(=O)Nc1ccc(Cl)cc1	1317873670	RHDNQVHLOJAECI-UHFFFAOYSA-N	314.798	1.182	50	20	DDGD	
Cn1cc(C=NNC(=O)c2cnccn2)c(-c2ccncc2)n1	1318068676	KRPBHRNXKYUKAQ-UHFFFAOYSA-N	307.317	1.036	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCCCCC(=O)O)cc1	1327412028	RLSQEYUNUDMHBQ-UHFFFAOYSA-N	323.349	1.284	50	20	DDGD	
CC(C)(C)OC(=O)CCC(=O)NNc1nncc(N)c1Cl	1321162280	WCLVFJRFZMTRKK-UHFFFAOYSA-N	315.761	1.277	50	20	DDGD	
Cc1nnc(O)c(CNC(=O)NNc2cccc(C#N)c2)c1C	1328492634	WJANHJZPPPPEPW-UHFFFAOYSA-N	312.333	1.497	50	20	DDGD	
CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NNc1ccn(C)n1	1321105417	NTIUKMJQAOOTIY-VQNWOSHQSA-N	323.422	1.121	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1C(=O)NNC(=S)NC(C)C	1324576582	QJAOPWBDZLQNDX-UHFFFAOYSA-N	312.351	1.121	50	20	DDGD	
O=C(NN=Cc1cc(Cl)c2c(c1)OCO2)C1CCOCC1	1331360043	HZDKCZLXARSOOW-UHFFFAOYSA-N	310.737	1.945	50	20	DDGD	
C=CCN(C(=O)C1CCC(Cl)CC1)[C@@H]1CCS(=O)(=O)C1	1345652412	MKENKPXAEVWLTH-WXRRBKDZSA-N	319.854	1.986	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1CC[C@@H]2C[C@H](C)CN2C1	1348737904	NXYYYXYQAREHDM-QJPTWQEYSA-N	305.382	1.049	50	20	DDGD	
CN(C)C[C@@]1(O)CCCN(C(=O)C2CCC(Cl)CC2)C1	1352090380	LJGPHQGFRYFZMX-PIMMBPRGSA-N	302.846	1.699	50	20	DDGD	
CCOC(=O)Cn1cnc(NC(=O)c2cccc(CCl)c2)n1	1353715946	VBEASRSDIWHYBN-UHFFFAOYSA-N	322.752	1.832	50	20	DDGD	
O=C(Cc1ccc(F)cn1)NNc1ccc(C(=O)O)c(F)c1	1601360653	COTNNZXPOGLKTP-UHFFFAOYSA-N	307.256	1.744	50	20	DDGD	
C[C@]1(CNC(=O)NNc2cccc(C(=O)O)c2F)CCOC1	1604577586	MYCWEQGXQHOZAG-CQSZACIVSA-N	311.313	1.577	50	20	DDGD	
O=C(NCc1ccsc1)NNc1ccc(-c2nn[nH]n2)cn1	1606841668	ILKJWZMLERJIBR-UHFFFAOYSA-N	316.350	1.150	50	20	DDGD	
CCO[C@@H](C(=O)NNc1ccccc1C(=O)O)C1CCOCC1	1605586186	AWRFNHOXZJDIBV-CQSZACIVSA-N	322.361	1.660	50	20	DDGD	
O=C(O)c1coc(C(=O)NNc2nc(-c3cccnc3)no2)c1	1608986515	KSGDKEGZJQHJOK-UHFFFAOYSA-N	315.245	1.180	50	20	DDGD	
N#CC1=CCN(C(=O)C2(c3ccc(-c4nn[nH]n4)cc3)CC2)CC1	1609494767	LSLHQXHYPABPJE-UHFFFAOYSA-N	320.356	1.581	50	20	DDGD	
O=C(O)CCCC(=O)NNC(=O)c1ccc(Cl)cc1F	1601979187	WHEGWOGZVZRWRE-UHFFFAOYSA-N	302.689	1.495	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNc1ccccc1C(=O)O	1608219132	LPHMVTJTMFQADG-UHFFFAOYSA-N	311.297	1.779	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)Nc2ccc(C(=O)O)nn2)n1	1607959445	RTXZOUWOMFEURW-UHFFFAOYSA-N	323.700	1.075	50	20	DDGD	
Cc1nocc1C=NNC(=O)[C@H]1CCCO[C@@H]1c1ccnn1C	1549315938	PLAJGPCWDFVCPX-JSGCOSHPSA-N	317.349	1.335	50	20	DDGD	
CC(Cc1ccccc1C)=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549319342	UCQCYOJHRHKQPG-IAGOWNOFSA-N	315.417	1.893	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C=NNC(=O)[C@@H]1CCCO1	1552455008	VBHIRUSNLONBBO-FPMFFAJLSA-N	306.366	1.169	50	20	DDGD	
O=C(NNc1cccc(F)c1Cl)N[C@H]1C[C@@H](C(=O)O)C1	1574579102	UZSVMFLAARRJDW-KNVOCYPGSA-N	301.705	1.968	50	20	DDGD	
COc1ccc(NNC(=O)C[C@H]2CC[C@@H](N)C2)c([N+](=O)[O-])c1	1579230386	JVZAVRUXOKCBAQ-VHSXEESVSA-N	308.338	1.564	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cn[nH]c1	1847870815	KHKANJIQGMNBGN-AVGNSLFASA-N	324.812	1.633	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCOC1)C2	1845168076	JVFRUTZPZLYBMI-VXGBXAGGSA-N	314.813	1.244	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)C2=COCC2)C1	1846708663	CJXOOXILPBHXHB-JTQLQIEISA-N	302.733	1.028	50	20	DDGD	
COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)C1CCC1)C2	1846361244	GZDBBEOFEIYUMU-GFCCVEGCSA-N	314.813	1.244	50	20	DDGD	
CC(C)/C=C/C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl	1847568346	TVDWHJYATLKXBH-DPBVVWTHSA-N	314.813	1.000	50	20	DDGD	
O=C(O)C1(C(=O)NNc2nc3ccncc3s2)CCOCC1	1594867671	QHIQJMOQVMADSI-UHFFFAOYSA-N	322.346	1.016	50	20	DDGD	
O=C(O)CC[C@H]1C[C@H](C(=O)NNC(=O)Nc2ccccc2)CO1	1595006868	WPCNZKTYOSFWGB-JQWIXIFHSA-N	321.333	1.109	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H](C(=O)O)C(C)(C)C)n1	1594453576	VXAJWXFLEKZIIY-SECBINFHSA-N	300.746	1.628	50	20	DDGD	
COc1cncc(C(=O)NNc2ccc(C(=O)O)cc2F)n1	1599726602	OPWYOKROOKPMNY-UHFFFAOYSA-N	306.253	1.079	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc(C(=O)O)cc2)n1	1599722233	DMQZEJHUMKGRQO-UHFFFAOYSA-N	303.278	1.332	50	20	DDGD	
C[C@@H]1C(=NNC(=O)c2cn3c(n2)CCCC3)CC[C@H]1CC(=O)O	1776105414	FVOBFAUDDRZWTK-QWRGUYRKSA-N	318.377	1.826	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC1CC1)[C@H](O)CCl	1795767390	DTUZAKZSNSADDS-YVECIDJPSA-N	314.813	1.024	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)[C@@H]2CC=CCC2)nc2ccccc21	16179052	HLTXHNUTMFMINF-GFCCVEGCSA-N	312.373	1.620	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cccc(OC(F)(F)F)c1	150942532	LNWSVUXPQJXXBW-UHFFFAOYSA-N	305.256	1.939	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H](CC)N(C)C	151116367	KDAHVKRGBLQBRY-CYBMUJFWSA-N	307.394	1.115	50	20	DDGD	
CC[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc(C)n[nH]1	153308391	AQMMVAJPKFJHGC-LBPRGKRZSA-N	320.324	1.476	50	20	DDGD	
NS(=O)(=O)c1ccc(C(=O)NNc2ccccc2F)s1	748056279	PTWOKLXNGHACDH-UHFFFAOYSA-N	315.351	1.292	50	20	DDGD	
O=C(Cn1cc(Br)cn1)NNc1ccccc1F	748056304	RBSRAXBDGBSVPA-UHFFFAOYSA-N	313.130	1.928	50	20	DDGD	
O=C(CCl)NCc1ccc(N2CCN3CCC[C@H]3C2)cc1	1887497683	QYGHUFWKDMZODD-HNNXBMFYSA-N	307.825	1.826	50	20	DDGD	
COC[C@H](CNS(=O)(=O)c1ccc(CCCl)cc1)OC	227703194	DFAZYRNGTPAJNA-LBPRGKRZSA-N	321.826	1.408	50	20	DDGD	
Cc1ccc(NNC(=O)NCCc2cn3ccccc3n2)nn1	106257969	WSYUADCKDCVUPL-UHFFFAOYSA-N	311.349	1.302	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNc1ccnc2ccccc12	106925198	PLBVTOSDLWMOTF-UHFFFAOYSA-N	300.362	1.840	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc(NC(C)=O)cc1	55617648	YFCXHDAYOMPZEN-SECBINFHSA-N	313.379	1.001	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CC2(Cl)Cl)nc1	179800021	GORGXYMMFVQIDS-SSDOTTSWSA-N	304.133	1.505	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(C[C@@H]1CCOC1)C1CC1	111201547	AZVQBHBHKBCVJQ-OLZOCXBDSA-N	311.426	1.069	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NNc2cc(F)c(F)c(F)c2)C1	175479001	JUVULNINTQRBSF-VIFPVBQESA-N	315.295	1.806	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)NC2CCCC2)c(C)c1	65833110	MDILIUAKGWOTNV-UHFFFAOYSA-N	311.407	1.739	50	20	DDGD	
CC[C@@H]1CN(CCI)C[C@@H](C)[S@]1=O	306299239	YENXDEHIWQCFOC-JRKPZEMJSA-N	315.220	1.653	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	119771277	IBWHOCUKNOHPAR-CXAGYDPISA-N	322.405	1.769	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNc1ccc(C(N)=O)nn1	119455086	VDLXNZISLILXQE-BDAKNGLRSA-N	317.374	1.192	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(=O)c2ccccc2o1	64882275	NAJXQMWLOAPNFY-UHFFFAOYSA-N	303.318	1.537	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)NC2CCCCC2)n(C)n1	174004778	MXNOGJFTDBIRQI-UHFFFAOYSA-N	307.398	1.820	50	20	DDGD	
Nc1ccc(C(=O)NNc2ncccc2Cl)cc1[N+](=O)[O-]	114886921	HKYOLCQQJZFMSR-UHFFFAOYSA-N	307.697	1.982	50	20	DDGD	
CC[S@](=O)c1ccccc1C(=O)NNC(=O)OC(C)(C)C	178257980	YYSFWXVCPFFCTG-NRFANRHFSA-N	312.391	1.984	50	20	DDGD	
COCCCCC(=O)NNC(=O)COc1cc(C)ccc1C	122133970	DSLVAEYFTGZHGA-UHFFFAOYSA-N	308.378	1.646	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cc1	68194837	SBNNKYWVQHAREX-OKILXGFUSA-N	319.405	1.255	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(-c2cncnc2)cc1F	186379555	PPSHYRGLXDKJAS-UHFFFAOYSA-N	304.281	1.674	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cnc(C3CC3)nc2)o1	184924986	YNACURJTVXYIMX-UHFFFAOYSA-N	301.306	1.722	50	20	DDGD	
CSC[C@H](C)NC(=O)NNC(=O)c1ccc2ccccc2n1	77798454	MDXTYYGJDHAJMF-JTQLQIEISA-N	318.402	1.930	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)Nc2ccc(F)nc2)c1	180545009	SKQRLJGKQXFZTL-UHFFFAOYSA-N	324.337	1.773	50	20	DDGD	
O=C(NNc1ccncc1)C1CCN(C(=O)N2CCCC2)CC1	180530898	GTMMNXSGQDQEJL-UHFFFAOYSA-N	317.393	1.453	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@H](C)N2CCC[C@H](C)C2)n1	181274050	MOFJTYJZFFHELF-STQMWFEESA-N	321.425	1.837	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)c2cccn2C)cc1	186380705	CKSITIQGIBVIRH-UHFFFAOYSA-N	302.334	1.890	50	20	DDGD	
COc1cccc(NNC(=O)c2n[nH]c(=O)c3ccccc23)n1	180669340	RQHZNPRXMWDFOX-UHFFFAOYSA-N	311.301	1.084	50	20	DDGD	
Cc1ccc(-n2nnc(C(=O)NNC(=O)C(C)(C)C)c2C)cc1	79566377	GAUUCVGGDOONIG-UHFFFAOYSA-N	315.377	1.691	50	20	DDGD	
CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NNc1ccncc1	183021550	GPNSXZNXBLMOPV-NSHDSACASA-N	308.407	1.472	50	20	DDGD	
CNC(=O)NNC(=O)Cc1cc(Br)ccc1F	137384560	FMPIQRFOZANAKX-UHFFFAOYSA-N	304.119	1.091	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)c1ccc(Cl)cc1F	131643811	NAWZKDWUDXRIPH-UHFFFAOYSA-N	310.716	1.770	50	20	DDGD	
CO[C@@H](C(=O)NNc1cc(Cl)nc(N)n1)c1ccccc1	133995298	YUOWJAYCLVJXHB-LLVKDONJSA-N	307.741	1.543	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cc1ccccc1[N+](=O)[O-])C1CC1	83676084	UCSZWEKSVSLZAE-VIFPVBQESA-N	322.390	1.431	50	20	DDGD	
CC[C@@H](NNC(=O)c1cccc(Br)c1)C(=O)OC	192853495	FKXFJEORITYFGX-SNVBAGLBSA-N	315.167	1.635	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)COc1ccccc1C(C)(C)C	190046662	AVAAJNQRVYHYGF-UHFFFAOYSA-N	308.378	1.281	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)c1ccco1	194866917	MTZOYJDMELPVMN-UHFFFAOYSA-N	306.343	1.842	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)NC[C@H]1CCCOC1	144761978	UWJQALBJDQXTHC-CYBMUJFWSA-N	321.377	1.213	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2ccnc(F)c2)c1F	190312212	IYWGENBTLYZCPF-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
CO[C@@H](C)CC(=O)NNC(=O)Cc1cccc2ccccc12	195357570	AJWRIJPGNGIAIJ-LBPRGKRZSA-N	300.358	1.955	50	20	DDGD	
CCN(CC)CC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	143246542	BIMYJRSQFSCJMI-AWEZNQCLSA-N	321.421	1.560	50	20	DDGD	
CN1C(=O)C(=NNC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21	252461096	KLNXLXCDYJWWTE-UHFFFAOYSA-N	324.296	1.705	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1	269467526	JPONHSDLPZDQEF-ZRDIBKRKSA-N	323.374	1.118	50	20	DDGD	
CS[C@H](C)CNC(=O)NNC(=O)COc1ccccc1F	269796194	IASWCGZMRCJOAQ-SECBINFHSA-N	315.370	1.286	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1	269619444	HRFWNQYDSPHMAB-QGZVFWFLSA-N	318.373	1.742	50	20	DDGD	
CCc1nn(C)cc1NC(=O)C(=O)NNc1ccc(F)cc1C	275740434	WLAVMWQLNKCGBJ-UHFFFAOYSA-N	319.340	1.512	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(OC(C)C)cc1	276344200	YUMMNUUCOAPEAX-UHFFFAOYSA-N	322.365	1.105	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC=C(C#N)CC1	273462278	BQSKNVKABLWSBQ-UHFFFAOYSA-N	323.330	1.448	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCn2cnnc2[C@@H]1C	277097774	UVDRRSJMIJCPKV-NSHDSACASA-N	322.800	1.547	50	20	DDGD	
COCC[C@H](NC(=O)NNc1ncccn1)c1ccc(C)o1	272336847	BAAZSDYTXPSECS-NSHDSACASA-N	305.338	1.782	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@]2(C)CCO[C@H]2C2CC2)nn1	364161368	SAPLUAINIAOUJV-ZFWWWQNUSA-N	305.382	1.616	50	20	DDGD	
CCOC(=O)c1cc(NC(=O)NNC(=O)C2CCC2)cn1C	272838057	OBBUNNRQJCIRBP-UHFFFAOYSA-N	308.338	1.155	50	20	DDGD	
CC(C)Cn1cc(NC(=O)NNC(=O)c2cccnc2)cn1	273351821	BXVIHCJZSNKLTE-UHFFFAOYSA-N	302.338	1.401	50	20	DDGD	
CCC[C@@H]1CN(C(=O)/C(C#N)=C/OCC)CCN1CCOC	270951327	LJUQACFEMBDYNM-SZGUKTLCSA-N	309.410	1.390	50	20	DDGD	
CC(C)NC(=O)/C(C#N)=C\c1ccc(O[C@H](C)C(=O)O)cc1	285625196	VWAIRQSJKNQPTL-JYVXZMADSA-N	302.330	1.970	50	20	DDGD	
COC(=O)N(C)NC(=O)C(C)(C)c1ccc(OC)c(OC)c1	286402693	PGLMPJBYLUQCHO-UHFFFAOYSA-N	310.350	1.711	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)COC2CCCC2)c1	298668147	SPSJXNIDSQPKSL-UHFFFAOYSA-N	305.378	1.473	50	20	DDGD	
CO[C@H](C)c1nsc(NC(=O)NNc2ncccc2F)n1	809927620	CZNSPSDCESWKHP-ZCFIWIBFSA-N	312.330	1.928	50	20	DDGD	
COCCN(C)NC(=O)COc1cc(C)c(Cl)c(C)c1	294577181	YJMPLDACONRAFM-UHFFFAOYSA-N	300.786	1.945	50	20	DDGD	
Cn1c(O)nc2cc(C(=O)NNc3cccc(F)n3)ccc21	804767715	UBUAFTAYUZPMBV-UHFFFAOYSA-N	301.281	1.570	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H](F)C(F)(F)F)cc1OC	809950734	XRIDRHZIKJMEKJ-VIFPVBQESA-N	324.230	1.365	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1c(OC)cnc2ccccc12	801798443	VYEUZULKIGCVEA-UHFFFAOYSA-N	316.386	1.538	50	20	DDGD	
Cn1cc(-c2ccc(C=NNC(=O)N3CCOCC3)s2)cn1	800810966	BFPPKMXFANHRNI-UHFFFAOYSA-N	319.390	1.524	50	20	DDGD	
C[C@H](C#N)C(=O)NNc1cc([N+](=O)[O-])ccc1Br	800620129	YBBNNMYBFJCSNP-ZCFIWIBFSA-N	313.111	1.960	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1cccnc1F	806340710	UZRJATIGIDADBH-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
CC[C@@H](C)[C@@H](C)NC(=O)NNC(=O)c1ccc2c(c1)OCCO2	299177924	VKSWDSRFCYHSKS-GHMZBOCLSA-N	321.377	1.836	50	20	DDGD	
C[C@H]1CN(CC(=O)NNC(=O)c2ccccc2)CCC1(F)F	290005378	ZKGAFBQQHOROFF-NSHDSACASA-N	311.332	1.425	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H](C)CN(C)C(C)C)n1	290798453	ABLBGPOCMOCMEX-LLVKDONJSA-N	310.402	1.148	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNC(=O)c1cc(Cl)ccc1O	806354790	IZFPTAPQMRNQED-UHFFFAOYSA-N	314.725	1.148	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(F)cc2Cl)O1	292837015	VJTLTDLHWGSUHS-CPCISQLKSA-N	300.717	1.808	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cccc(C(F)(F)F)n2)O1	295506146	FBEYTDKHOMQTGS-CBAPKCEASA-N	317.267	1.429	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)CCCOC1	802101671	RTFORIOTJKLGBJ-HNNXBMFYSA-N	321.333	1.385	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2ncccc2F)c1C#N	807302183	OSSPBIFSKYMLRB-UHFFFAOYSA-N	313.292	1.483	50	20	DDGD	
COc1cccc(C2(C(=O)NNC(=O)CC(F)(F)F)CC2)c1	806536424	CSWDRDYGRJCJBI-UHFFFAOYSA-N	316.279	1.827	50	20	DDGD	
O=C(NCC(Cl)Cl)C1CCN(C(=O)N2CCCC2)CC1	808129238	OGZIPPJWOYIDAY-UHFFFAOYSA-N	322.236	1.834	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CSC[C@H]2C)cc1	807475500	FHZKOGAZDMVVHV-YPMHNXCESA-N	323.418	1.456	50	20	DDGD	
CCN(CCNC(=O)NNc1cccc(NC(C)=O)c1)C1CC1	297655347	MQAQDQWNUKYRLE-UHFFFAOYSA-N	319.409	1.755	50	20	DDGD	
O=C(C[C@H]1CCCC(=O)N1)NNc1ncccc1C(F)(F)F	809690013	YGFAPHWBGJOSIH-MRVPVSSYSA-N	316.283	1.602	50	20	DDGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCO[C@H](C(=O)O)C1	819090910	LLHMPGMQJFDVIA-VEIWZVCTSA-N	303.274	1.245	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)OC	812912275	LMUIVIYGYRQORE-JTQLQIEISA-N	313.785	1.649	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)c1ccc(Cl)cc1F)C1CCC1	813470425	HZGJMHSGZFXGNN-AWEZNQCLSA-N	314.744	1.791	50	20	DDGD	
O=C(NNC(=O)c1cccc([C@H]2CCOC2)c1)c1ccnnc1	817693963	XOSDDFOLMVLLTI-AWEZNQCLSA-N	312.329	1.055	50	20	DDGD	
Cc1nc(COc2ccccc2C(=O)NN(C)C2CC2)no1	819643412	ARNJBPAQXYWEHF-UHFFFAOYSA-N	302.334	1.696	50	20	DDGD	
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NNc1cnnn1C	816771532	QOOBWGQIXFUASD-CQSZACIVSA-N	314.349	1.233	50	20	DDGD	
COc1ccc(Br)c(C(=O)NNc2nc[nH]n2)c1	816634114	YXTURTBINIMDLH-UHFFFAOYSA-N	312.127	1.333	50	20	DDGD	
COc1ccc(C(=O)C(=O)NNc2ncncc2F)cc1Cl	817081649	HMJZUHHAFJEWRY-UHFFFAOYSA-N	324.699	1.604	50	20	DDGD	
O=C(CCn1cnc2ccccc21)NNC(=O)CC(F)(F)F	810178918	BAZDHILDJFLHGK-UHFFFAOYSA-N	314.267	1.526	50	20	DDGD	
Cn1cc(-c2ncccc2C(=O)NNC(=O)c2ccccc2)cn1	816816720	GGNXLKPQZBSPNY-UHFFFAOYSA-N	321.340	1.557	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(C)c(C)c1O	728156088	ATLWEZFQRICOFR-LBPRGKRZSA-N	324.402	1.284	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(C)c1	825775844	GVDBTWOLNFMRLC-ZFWWWQNUSA-N	319.405	1.601	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)Cc1ccccc1F	827315501	SDWCCHLDAKXCCB-JQWIXIFHSA-N	309.341	1.423	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cc(Cl)ncc1F)C1CC1	824446158	HPFKQNOQYMTQBG-ZCFIWIBFSA-N	316.789	1.782	50	20	DDGD	
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)C1CCC1	497268981	MQSOXIADERKZCE-LLVKDONJSA-N	313.398	1.483	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNC(=O)Cn1ccc2ccccc21	491622177	HGDLZKFSQDRXFS-CQSZACIVSA-N	312.373	1.774	50	20	DDGD	
COc1ccc(C=NNC(=O)Cn2nc(C)cc2C)cc1F	725800529	BTABGQZUQCOLDG-UHFFFAOYSA-N	304.325	1.798	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1C[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1	827266745	DNFDQQLORXGWFV-WCBJTDJXSA-N	319.405	1.296	50	20	DDGD	
Cn1ccnc1CNC(=O)NNC(=O)Cc1ccc(Cl)cc1	728753557	SIUQKNCMSSENHI-UHFFFAOYSA-N	321.768	1.147	50	20	DDGD	
O=C(COc1cccnc1)NNC(=O)c1c[nH]c2ccccc12	728064539	FIFBOBPXSKVNIB-UHFFFAOYSA-N	310.313	1.403	50	20	DDGD	
CN1CCN(C(=O)/C(C#N)=C\c2cnn(C)c2)c2ccccc2C1	490969346	DOVOOCDRMXBBMS-SXGWCWSVSA-N	321.384	1.806	50	20	DDGD	
COC(=O)c1cc(/C=C(\C#N)C(=O)Nc2nccs2)c[nH]1	490726935	VXWXOLHOLVAJKG-RUDMXATFSA-N	302.315	1.803	50	20	DDGD	
O=C(C[C@]12CCCC[C@H]1C2(F)F)Nc1cccc(B(O)O)c1	584912401	RMNWBIKSWKIQCX-TZMCWYRMSA-N	309.121	1.521	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H](C(=O)NNc1ccncn1)C1CCC1	496160427	SVZLFXHRZPAMSD-LBPRGKRZSA-N	321.381	1.613	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)NCC(F)(F)F)cc1F	822671534	LRCHXWDYLNWCCD-UHFFFAOYSA-N	308.235	1.374	50	20	DDGD	
O=C1CC[C@@H]2[C@@H]1[C@@H]2C(=O)NNC(=S)NCCc1cccs1	905600953	VRGQEGURCXTLQG-ADEWGFFLSA-N	323.443	1.011	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)Cc2ccccc2F)nc(N)n1	828371529	JDWJDTMLSNOYGG-SECBINFHSA-N	303.341	1.828	50	20	DDGD	
CCOc1ccccc1Oc1ccccc1C(=O)NCB(O)O	585056980	FZFDALRJAVHUNP-UHFFFAOYSA-N	315.134	1.619	50	20	DDGD	
C[C@]12CN(S(=O)(=O)CBr)C[C@H]1[C@H]1C=C[C@@H]2C1	907539015	OOLPNMPHINJKFI-ZRUFSTJUSA-N	306.225	1.813	50	20	DDGD	
CCN(CCO)NC(=O)/C=C/c1ccccc1OC(F)(F)F	823846351	IUQYMLLQLBIZIE-BQYQJAHWSA-N	318.295	1.944	50	20	DDGD	
CCCN1CCC[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	825328921	YNLNLPGCBJETBV-ZDUSSCGKSA-N	315.381	1.184	50	20	DDGD	
O=C(CCC1CCOCC1)NNc1cccc(-c2nn[nH]n2)c1	826405567	KYFIDASCMGNGAK-UHFFFAOYSA-N	316.365	1.517	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=S)N[C@H]1CCCC[C@@H]1C	734025711	CISFGGGNOYSMQK-TUAOUCFPSA-N	317.455	1.112	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCC2=CCCC2)cc1	823098054	DGIQRALVNSRMMD-UHFFFAOYSA-N	303.362	1.815	50	20	DDGD	
COC(=O)Nc1ccc(OS(=O)(=O)CBr)cc1	495124484	UJMXCAMEYAWTEH-UHFFFAOYSA-N	324.152	1.926	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)COc1ccccc1Br	823939535	LMNHFXGSOWLZKF-VIFPVBQESA-N	317.183	1.172	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cc(Cl)nc(N2CCCC2)c1	732949199	FZKVMQQWGBCEME-UHFFFAOYSA-N	310.785	1.752	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=C1CCC(C(=O)O)CC1	496452854	FQAMKUGEXAFDCV-UHFFFAOYSA-N	313.354	1.258	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccnc(N2CCC[C@@H](C)C2)c1	496583135	AMEJXCJMMDQDLW-LLVKDONJSA-N	306.366	1.709	50	20	DDGD	
O=C(CN1CCCc2cc(F)c(F)cc21)NNC(=O)C1CC1	733194308	IDMNSDJTFSXNQV-UHFFFAOYSA-N	309.316	1.275	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNc1ccc(C(=O)OC)cc1F	837206171	JVQKXVYRDNEYBK-MFKMUULPSA-N	308.309	1.647	50	20	DDGD	
OB(O)c1ccc(CNCc2nc(C3CC3)cs2)c(F)c1	585029280	DVCQEHLJQDQRRY-UHFFFAOYSA-N	306.171	1.129	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1	495822985	LOHTWMAKIIHOPO-UHFFFAOYSA-N	321.377	1.806	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C)nc1C(C)C	838149931	VYWNHFFIXHKZRC-NSHDSACASA-N	321.377	1.616	50	20	DDGD	
C=C(CI)n1cc(C[C@H](O)C2CC2)nn1	900641116	KOCGSRQRHJLUNO-JTQLQIEISA-N	319.146	1.497	50	20	DDGD	
CO[C@@H](c1ccccc1F)[C@H](C)NCc1ccccc1B(O)O	585033052	WBRUPGATVHWDDG-YVEFUNNKSA-N	317.169	1.371	50	20	DDGD	
OB(O)c1ccc(CNC2[C@H]3CC[C@H]2Cc2ccccc2C3)o1	585041588	ZRETXIVMAUZENS-GJZGRUSLSA-N	311.190	1.243	50	20	DDGD	
CC(C)Oc1cccc(C(=O)NNc2ccc(C(=O)O)cn2)n1	833507006	RGQPCVJXVKWJNP-UHFFFAOYSA-N	316.317	1.719	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NC[C@@H]1CCc2ccccc21	732468753	HBRYDEQMWOKACY-JTQLQIEISA-N	315.295	1.999	50	20	DDGD	
CC(C)[C@@]1(C)C[C@H]1NC(=O)NNC(=O)COc1ccc(F)cc1	838764969	FRIPLNDAPMWWIL-CZUORRHYSA-N	323.368	1.970	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)ccc1F	837036999	OVWGVZZWVKASQW-OASPWFOLSA-N	308.309	1.480	50	20	DDGD	
COc1ccccc1OCCCNC(=O)NNc1ccncn1	836277112	CLISFAZNEJDZEZ-UHFFFAOYSA-N	317.349	1.580	50	20	DDGD	
CCC[C@@H](C)C(=O)NCCNC(=O)NNc1cccc(C#N)c1	838605071	OUPYRZKPIHGUOR-GFCCVEGCSA-N	317.393	1.737	50	20	DDGD	
CCC(CC)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	736338247	RBBKKCVTSIILGY-UHFFFAOYSA-N	302.338	1.064	50	20	DDGD	
Cn1c(=NNC(=O)NC[C@@]2(C)CCOC2)sc2ccccc21	733351817	HCNPQIZRJZUTTJ-OAHLLOKOSA-N	320.418	1.781	50	20	DDGD	
CC(C)Oc1cncc(C(=O)NNc2ccc(C(=O)O)cn2)c1	833507730	FBPLZCGVBKCJTL-UHFFFAOYSA-N	316.317	1.719	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@H]2CCOC(C)(C)C2)n1	836674465	OKOMQXXVKVIDSG-LBPRGKRZSA-N	307.398	1.925	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H](O)C2CCCCC2)ccc1F	837037135	PXAGQMISGROPSD-CQSZACIVSA-N	324.352	1.997	50	20	DDGD	
COc1ccc2nc(NNC(=O)[C@@H](O)C3CC3)c(C)cc2c1	831805881	DTEQKCWDPVSVRK-AWEZNQCLSA-N	301.346	1.766	50	20	DDGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCC(=O)O)c1C	739808955	VNNTUWBPNWZSGF-REPOHMLUSA-N	319.361	1.420	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C1(C#N)CCC1	735989223	FIQVKQMFUOXVIM-UHFFFAOYSA-N	317.345	1.305	50	20	DDGD	
COCC(COC)NC(=O)NNc1c(F)cccc1Cl	838676032	MCSMQQNGZSXIRV-UHFFFAOYSA-N	305.737	1.767	50	20	DDGD	
Cn1cc(C(=O)NN=C2C(=O)Nc3c(F)ccc(Cl)c32)cn1	735413289	JKHIKHIANMFAIZ-UHFFFAOYSA-N	321.699	1.299	50	20	DDGD	
CCC(=NNC(=O)[C@H](C)CN1CCOCC1)c1ccncc1	834932018	DBLAVGQDXZKXBN-CYBMUJFWSA-N	304.394	1.280	50	20	DDGD	
CCOc1cn(-c2ccccc2)nc1C(=O)NN(C)C[C@H](C)O	910165854	OTQSZRKFCHNLIY-LBPRGKRZSA-N	318.377	1.228	50	20	DDGD	
COCCN(C)CCNC(=O)NNc1ccc(C)cc1Cl	838203679	QAESXSWSSKDQGH-UHFFFAOYSA-N	314.817	1.853	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)Cc2ccn(C(C)C)n2)n1	748338850	KLFIRKXAKOROJW-UHFFFAOYSA-N	308.773	1.902	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCCOC1CCC1	743694916	OFUKCHYFNRGESZ-UHFFFAOYSA-N	305.378	1.519	50	20	DDGD	
Cc1ccc(-c2ccc(C=NNC(=O)C(=O)NC3CC3)o2)cc1	912806196	ABLFBLGDTZUYPN-UHFFFAOYSA-N	311.341	1.984	50	20	DDGD	
COc1cccc(CCNC(=O)NNc2ncccn2)c1OC	918217308	ADXDDVAMXNALSP-UHFFFAOYSA-N	317.349	1.363	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H](C)CN2C[C@@H](C)O[C@H](C)C2)o1	916371044	HUMPAWMHRVQJOW-MRVWCRGKSA-N	307.394	1.783	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)Cn2cncn2)C1	912579838	ISQMFLLOIAZZJA-GFCCVEGCSA-N	310.474	1.901	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)CCCc2ccc(F)cc2)CC1	848375765	VOJDJURXFWYIAY-UHFFFAOYSA-N	322.384	1.137	50	20	DDGD	
CCC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	843653671	OBHKRUMHUSZPEZ-ZWNOBZJWSA-N	304.346	1.465	50	20	DDGD	
CCC1(CC)CCN(C(=O)NNC(=O)c2ncccn2)CC1	841592907	ZSXKVEDJSGHSDY-UHFFFAOYSA-N	305.382	1.733	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ncccn2)nn1[C@H](C)C1CC1	841350933	VSNJRDQFMKLMEJ-SNVBAGLBSA-N	314.349	1.027	50	20	DDGD	
COC[C@](C)(O)C(=O)NNc1ncnc(Cl)c1C(C)C	840547037	IJRVJAYSFYMEPO-LBPRGKRZSA-N	302.762	1.094	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NN=C2C[C@@H](C)n3ncnc32)c1	841607576	XENHSENRMBGEBQ-GFCCVEGCSA-N	313.361	1.759	50	20	DDGD	
CC(C[C@H]1CCCC(=O)N1)=NNC(=O)c1ccnc(N(C)C)c1	841622773	DBTSAFNQMCDPHZ-CYBMUJFWSA-N	317.393	1.312	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(O[C@@H]2CC(=O)N2)cc1	840726397	MYDDTWIMEXRVDG-ATWMFIQVSA-N	301.302	1.294	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccnc(Cl)c1Cl	911504775	KOPTZKKHZJGCLT-NKWVEPMBSA-N	318.160	1.574	50	20	DDGD	
C=CCc1cc(C(=O)NN(C)C[C@@H](C)O)cc(OC)c1OC	910179767	ODBDGSZMVKRLMS-LLVKDONJSA-N	308.378	1.390	50	20	DDGD	
COCc1cccc(C=NNC(=O)Cn2nc(C)cc2C)c1	743430284	ILLYBCFNRMMAKI-UHFFFAOYSA-N	300.362	1.797	50	20	DDGD	
CCOC(=O)Cn1ccc(NC(=O)NCCSSC)n1	847249731	ZIJRDSRYVBQRHE-UHFFFAOYSA-N	318.424	1.579	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)CCc1ccccc1Cl	849304241	OQWKOVZZHMTOLJ-SNVBAGLBSA-N	318.826	1.879	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)CCCc2ccccc2)CCN1	841983833	FBSHABOVXKFXIF-HIFRSBDPSA-N	318.421	1.480	50	20	DDGD	
NC(=O)[C@H]1CC[C@H]1C(=O)NNc1ccc(Br)cc1	847599875	VCGVDKUIYRFDDT-VHSXEESVSA-N	312.167	1.404	50	20	DDGD	
COC[C@H](C)OC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])c(O)c1	748147653	IJVYQLVFLWUXGY-WUFUFFIZSA-N	306.274	1.785	50	20	DDGD	
CCN(C)[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccccc1	843662810	SXBOFOAMYNSZHK-CFVMTHIKSA-N	319.405	1.252	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)c1ccc(Cl)s1	749982792	JKIDZNPJUHBJIE-ZCFIWIBFSA-N	312.782	1.998	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NCc1ccon1	747500215	IWMZKEWDFOOJCD-UHFFFAOYSA-N	302.334	1.528	50	20	DDGD	
CC[C@H](C#N)C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	846094712	TYTORUFECVABQE-MRVPVSSYSA-N	312.276	1.990	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cc1nsc2ccccc12	843662585	UDBHBRCMLXVHIH-VHSXEESVSA-N	319.386	1.411	50	20	DDGD	
CCC(C)(C)[C@@H]1CCc2nc(NC(=O)C(=O)NN)sc2C1	841199024	AKENRPLENJMDCA-MRVPVSSYSA-N	310.423	1.613	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNc1cnnc2ccccc12	846635224	POPJMZMIUDAUQL-UHFFFAOYSA-N	301.350	1.235	50	20	DDGD	
COC1(C(=O)NNc2nc3ccccc3n2C)CCOCC1	848380628	LZAPGTSLEKTTQV-UHFFFAOYSA-N	304.350	1.212	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCCc1ccc(F)cc1	847462484	XBGCPWUNPKSBRQ-UHFFFAOYSA-N	304.325	1.641	50	20	DDGD	
CC(C)CO[C@@H](C)C(=O)NNC(=O)c1cc(Cl)ccc1O	920805155	IVZPWWYEVCTMQN-VIFPVBQESA-N	314.769	1.868	50	20	DDGD	
N[C@H](CNC(=O)NNC(=O)c1cccc2ccccc12)C1CC1	841966768	YXOHWWHGMIITDU-OAHLLOKOSA-N	312.373	1.521	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)Sc1ccc(Cl)nn1	747804850	CJUDZWSGQCAPDR-QMMMGPOBSA-N	316.814	1.804	50	20	DDGD	
CC1(C(=O)NNc2ncc(Br)cn2)CCOCC1	848320864	ZRBJVRCGJFVOFP-UHFFFAOYSA-N	315.171	1.499	50	20	DDGD	
COCCCC(C)=NNC(=O)c1cccc(S(C)(=O)=O)c1	759200837	BUAHJGHCCAIPRA-UHFFFAOYSA-N	312.391	1.622	50	20	DDGD	
CC(=O)Nc1ccc(NC(=O)NNC(=O)c2ccncc2)cc1	755495577	SEESBJWFHXTUNO-UHFFFAOYSA-N	313.317	1.507	50	20	DDGD	
CC(C)C(=O)NCCCNC(=O)NNc1ccc(Cl)nc1	757664387	QMHOXVUFQNZDIK-UHFFFAOYSA-N	313.789	1.523	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@H](C)CN1CCOCC1	853356252	QDLQTNYUDITCES-GFCCVEGCSA-N	310.373	1.481	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1cc2c(cc1Cl)OCO2	755572169	JFUDYUOWGSASHC-UHFFFAOYSA-N	322.708	1.863	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNC(=O)OCC(F)(F)F)no1	856021122	GWUINHQVTHDBIF-UHFFFAOYSA-N	309.244	1.905	50	20	DDGD	
N#Cc1ccc(Br)c(NNC(=O)C2CC(=O)C2)c1	855617991	RMYNJLIECCBOFL-UHFFFAOYSA-N	308.135	1.743	50	20	DDGD	
COC(=O)CN1CCN(C[C@H](CBr)C2CC2)CC1	859263426	ZOHVKRPOCXPIKT-LBPRGKRZSA-N	319.243	1.198	50	20	DDGD	
COC(=O)C[C@@]1(NC[C@H](CBr)C2CC2)CCOC1	859253766	DUOSDLLICPNKGU-AAEUAGOBSA-N	320.227	1.719	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CCc2ccon2)cc1	856791267	KCQBSQGHLDUKCF-UHFFFAOYSA-N	302.334	1.175	50	20	DDGD	
COC[C@@](C)(O)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	754973406	GRXOQQOAYJMYOI-XPSVCEGCSA-N	324.421	1.138	50	20	DDGD	
C[C@@]12CCCN1C(=O)N(C[C@@]1(C)C[C@@H]1Br)C2=O	857227417	MUASLINALFMFOJ-AXTRIDKLSA-N	301.184	1.977	50	20	DDGD	
C[C@H]1COC[C@@H]1NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	925992784	RZQJGBIDDAHVTM-XOVPDBADSA-N	321.421	1.568	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@@H]1CC12CCSCC2	855093572	VMAFWZSHHAUKJP-NSHDSACASA-N	313.492	1.815	50	20	DDGD	
CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1	858184833	VIAZWCGSOHDZAN-AVGNSLFASA-N	324.425	1.200	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNC(=O)COc1cccc(C)c1	858127884	SHWFXJSHGJPHHX-CQSZACIVSA-N	308.378	1.726	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NN=Cc1cnc2ccccn12	755526114	VJYATDBPOJIPQZ-UHFFFAOYSA-N	318.340	1.834	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cccc(F)n2)c(C2CCC2)n1	856427882	IPLHFZXBYRDEIS-UHFFFAOYSA-N	317.324	1.297	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=C2CCCn3nccc32)cc1	853265410	SRSIUJVYOKFXSG-UHFFFAOYSA-N	309.329	1.448	50	20	DDGD	
O=C(CSc1ccc(O)cc1)NNC(=O)C1CCOCC1	923055858	GQZKGSIKWUQOHE-UHFFFAOYSA-N	310.375	1.058	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc2c(c1)C[C@H](C)O2	850064043	FAJYJDYTZBRJQB-UWVGGRQHSA-N	320.345	1.113	50	20	DDGD	
CCOC(=O)C[C@@H]1CCCCC1=NNC(=O)Cc1cc(C)[nH]n1	754924652	YNMDPVHSOPEHEH-LBPRGKRZSA-N	320.393	1.876	50	20	DDGD	
C#CCOc1ccc(NC(=O)NNC(=O)CC(F)(F)F)cc1	756479212	JGRPBJGMJPDVGZ-UHFFFAOYSA-N	315.251	1.804	50	20	DDGD	
CCn1nccc1CNC(=O)NNC(=O)CCc1ccccc1	852715819	ZQOHBWWIPYSKDL-UHFFFAOYSA-N	315.377	1.366	50	20	DDGD	
CCOC(=O)C1CCC(=NNC(=O)Cc2cc(C)[nH]n2)CC1	750933087	XCFJTWJQKUKOAN-UHFFFAOYSA-N	306.366	1.486	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1cc2occc2[nH]1	750914811	QIVOKUXFGDZHES-UHFFFAOYSA-N	319.342	1.921	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)c1cc(C)cs1)c1ccco1	858705352	ALSDRVAQLFSPLG-JTQLQIEISA-N	323.374	1.981	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cnc([C@H]3CCCO3)s2)n[nH]1	755628720	UGUIKEWDNIDFKB-GFCCVEGCSA-N	319.390	1.719	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cc1csc2nccn12)C1CC1	855099212	ULHQVHSEAXZDAQ-MRVPVSSYSA-N	323.447	1.232	50	20	DDGD	
CC(=NNC(=O)Cn1nc(C)cc1C)c1ccccc1C(=O)O	757459960	KCPWTRILBDCEBZ-UHFFFAOYSA-N	314.345	1.739	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2cc(F)ccc2C)[C@H]1OC	854006780	NYZHLULXNNDHOS-MGPQQGTHSA-N	311.357	1.953	50	20	DDGD	
Cc1csc([C@@H](C)C(=O)NNC(=S)N[C@H](C)C2CC2)n1	855097071	ITVMLGJMLPXQRG-DTWKUNHWSA-N	312.464	1.849	50	20	DDGD	
NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1nc2ccc(Cl)cc2s1	856234483	AFWXOPOOJDYMSK-SFYZADRCSA-N	324.793	1.904	50	20	DDGD	
C[C@]1(CNC(=O)N2[C@H]3CC[C@H]2CNC3)C[C@H]1Br	857105667	PHKICUDTPZRIKY-UXCLJVHYSA-N	302.216	1.306	50	20	DDGD	
Cc1nnc(CNC(=O)NC[C@@]2(C)C[C@@H]2Br)s1	856847951	ZBROAONVUOUTNG-OIBJUYFYSA-N	319.228	1.819	50	20	DDGD	
Cc1nnc(COCC(=O)NNc2ncc(F)cc2F)s1	857533928	RRCGZFSBTVVJDA-UHFFFAOYSA-N	315.305	1.180	50	20	DDGD	
CC[C@@H]1CN([C@H](CC)C(=O)NN=c2cc[nH]c(C)c2)CCO1	862513826	LRNRPEKMKDACEZ-HUUCEWRRSA-N	306.410	1.144	50	20	DDGD	
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=c1cc[nH]c(C)c1	862512333	REYLCLKLJFGTQE-GFCCVEGCSA-N	308.382	1.558	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)n[nH]1	869013196	QDORLEYZMXUKMY-UONOGXRCSA-N	316.336	1.351	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(C(C)(C)O)cc1	863152794	GEQDTGXINUSTAY-ZDUSSCGKSA-N	303.362	1.033	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)C(=O)Nc1scnc1C1CC1	764067083	WXDSQBLZUZHNEP-UHFFFAOYSA-N	322.390	1.297	50	20	DDGD	
CCc1cc(C(=O)NNc2cc(Cl)nc(N)n2)c(C)nn1	760436608	QAIQYWFRELZZDT-UHFFFAOYSA-N	307.745	1.130	50	20	DDGD	
CC(C)(C(=O)NNC(=O)COC(F)(F)F)c1ccccc1	932373108	PDXXKWBKTKBULB-UHFFFAOYSA-N	304.268	1.648	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCC(=O)N1)c1cc2c(C)nn(C)c2s1	863153333	RPQZXOZOHVOEHY-SNVBAGLBSA-N	319.390	1.062	50	20	DDGD	
COc1ccc2c(c1)C[C@@H](C(=O)NN=c1cc[nH]c(C)c1)CO2	862510618	MTWVPUGAVSYXEA-CYBMUJFWSA-N	313.357	1.515	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)c1cnn2ncccc12	765304687	QZGQTPHVKYZRBD-UHFFFAOYSA-N	323.356	1.513	50	20	DDGD	
O=C(CCOCC(F)F)NNCC(F)(F)C(F)(F)F	863099288	DFRLVDCBMBCWAK-UHFFFAOYSA-N	300.174	1.477	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1ccc(O)c(Cl)c1	768767971	KTKNMIKXUVLKAH-UHFFFAOYSA-N	309.753	1.508	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NNC(=S)Nc1ccccc1OC	865273257	XVHKPEOKNXVSND-SKDRFNHKSA-N	309.391	1.438	50	20	DDGD	
CC(=O)N[C@H](CC(C)C)C(=O)NNc1ncc(F)cc1F	861939564	CSQUCOBUALRKBO-LLVKDONJSA-N	300.309	1.354	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1nc2ncccc2s1	865375653	VSJVFGFPMSZLEW-SSDOTTSWSA-N	310.404	1.729	50	20	DDGD	
Cc1nn2c(C=NNC(=O)c3ccccn3)c(C)nc2s1	765542897	JWDNODJKYBFKHA-UHFFFAOYSA-N	300.347	1.567	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H](C)c2ccccc2F)n[nH]1	869012512	UKFSZLRLOWHQBS-JTQLQIEISA-N	304.325	1.351	50	20	DDGD	
C[C@@H](NNC(=O)c1cc(Br)cn1C)C(F)(F)F	862306012	ASRLTYPZOCZUTO-RXMQYKEDSA-N	314.105	1.973	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)OCc2ccncc2)o1	866436858	UAXDIDYTCWKTSA-LLVKDONJSA-N	303.318	1.349	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)NC1Cc2ccccc2C1	762585128	URSNRYCXJRXNST-UHFFFAOYSA-N	313.332	1.937	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2ncnc3ccsc23)c[nH]1	766680105	COKUDYZOBUUCNS-UHFFFAOYSA-N	301.331	1.445	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C(C)(Cl)Cl)cn1	874954185	PQSXWPPNJRKNGS-UHFFFAOYSA-N	323.205	1.602	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@H](C)c2c(C)noc2C)cc[nH]1	875413858	VQGVUEIENHEGNO-VIFPVBQESA-N	303.366	1.847	50	20	DDGD	
CCOc1cc(C(=O)NNC(=O)c2cc3c(s2)CCC3)[nH]n1	1118962214	FQEZIHKRWXFBGS-UHFFFAOYSA-N	320.374	1.433	50	20	DDGD	
Cn1c(=O)oc2c(NC(=O)NNc3ncc(F)cn3)cccc21	775686396	GFVNKDQYPUNMLO-UHFFFAOYSA-N	318.268	1.209	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=C1CCc2cccc(C(=O)O)c21	872384324	PAQDIQCYBNMCSZ-MWLCHTKSSA-N	302.330	1.576	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)COCCOC)C[C@H]1C	872401505	XSDGPMHOQPHPDY-YPMHNXCESA-N	314.382	1.121	50	20	DDGD	
COc1cc(C(=O)NN(C)C(N)=O)ccc1OC1CCCC1	778415881	UFUYUXHEHYVLNL-UHFFFAOYSA-N	307.350	1.672	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1ccnc(SCC)c1	779684182	HQKBTCDFRDXVGI-UHFFFAOYSA-N	312.395	1.061	50	20	DDGD	
C[C@@H](NCC(=O)NNC(=O)c1cccc(C#N)c1)c1ccccc1	774770951	SFFYUTCUJJGEAG-CYBMUJFWSA-N	322.368	1.670	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1sccc1OC(F)F	883064174	RRQPILANCIQIFP-UHFFFAOYSA-N	320.317	1.537	50	20	DDGD	
C[C@H]1CCC[C@H](C(=O)NNc2nc(O)c3cnn(C)c3n2)C1	770972962	KRLCSUNIFUNMLQ-IUCAKERBSA-N	304.354	1.338	50	20	DDGD	
O=S(=O)(CCCCl)N1CC2(CCOCC2)[C@H]1C1CC1	882222658	WOEOTFKFVZOKRB-GFCCVEGCSA-N	307.843	1.836	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(C)(C)c1ccc2c(c1)OCO2	887149135	KQVKPOSFMAVISZ-UHFFFAOYSA-N	316.357	1.644	50	20	DDGD	
CC(C)c1ccc(CNC(=O)NNC(=O)c2cccnn2)cc1	883194078	MYQIECHCDTZAPY-UHFFFAOYSA-N	313.361	1.744	50	20	DDGD	
COc1ccc([N+](=O)[O-])c(C(=O)NNc2ncncc2Cl)c1	781823546	JUMKBODMHIRQSA-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)no1	887668199	NKXZEDZVSRIORC-SECBINFHSA-N	321.308	1.605	50	20	DDGD	
Cc1ncccc1NC(=O)C(=O)NNc1cccnc1Cl	784838796	DPCJOHZAOOSUEE-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
Cc1cc(C)c(NNC(=O)C(=O)Nc2cnc(C)nc2)c(C)c1	783368256	KODWVRQJTZNDKS-UHFFFAOYSA-N	313.361	1.792	50	20	DDGD	
COC[C@@H]1COCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	886864804	SYZOYHUQUXYODH-YLHGKKIISA-N	302.330	1.173	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1[nH]c(C)c(C(C)=O)c1CC	887142063	UPLOXPKYAMRWHH-UHFFFAOYSA-N	303.362	1.653	50	20	DDGD	
CC(C)[C@@H](OC(=O)/C(C#N)=C\c1ccccc1)C(=O)NC(N)=O	785360359	APCFPLVXDRRVIA-LLBKUYECSA-N	315.329	1.356	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H]1CCC(=O)[C@@H](C)C1	780737342	LBSKRMCSWBMXSD-QWRGUYRKSA-N	304.346	1.922	50	20	DDGD	
Cl/C(=C\CBr)n1cc(Cn2cncn2)nn1	881310945	UEDRVIUSOPXFGM-UNXLUWIOSA-N	303.551	1.350	50	20	DDGD	
Cn1cc([C@H]2C[C@@H](NS(=O)(=O)CCCCl)CCO2)cn1	882331363	BZCCSCGOTVIBJM-NWDGAFQWSA-N	321.830	1.189	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNc2ccc(OC)cn2)cn1C	782056926	UQHHJEDDIYWJNG-UHFFFAOYSA-N	319.321	1.364	50	20	DDGD	
COc1ccc(NNC(=O)NNC(=O)c2ccccc2)nc1	780956001	VVPHEEJQASGLKL-UHFFFAOYSA-N	301.306	1.061	50	20	DDGD	
COc1c(NS(=O)(=O)CCCCCl)cccc1C(N)=O	788069076	VINKCWYUTMFESB-UHFFFAOYSA-N	320.798	1.555	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CC[C@H](O)CC2)c1	780846244	ZVALGHVDJWVESX-AULYBMBSSA-N	307.350	1.403	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccc(C)nc2OC)c1	780792282	RDVHIIWFFFJOGE-UHFFFAOYSA-N	315.329	1.942	50	20	DDGD	
CC[C@@H]1C[C@@H](C(=O)NNc2nc(-c3cccnc3)no2)CCO1	780474677	MOLFWHOXFZRPQC-CMPLNLGQSA-N	317.349	1.780	50	20	DDGD	
O=C(NNC(=O)c1cc(C(F)F)[nH]n1)NC1CCCCC1	899940539	PSFWOQPCQVMUCE-UHFFFAOYSA-N	301.297	1.624	50	20	DDGD	
CC(C)(C)C(=O)N1CCN(S(=O)(=O)CCCCl)CC1	881779968	VMTAHUJSPIJMQX-UHFFFAOYSA-N	310.847	1.135	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1c(F)ccc2c1OCO2	893801709	LSPCLTLKEPIWQX-UHFFFAOYSA-N	308.309	1.896	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2cnccn2)cc(C)c1Cl	799835134	VKTWASVROXCKKQ-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
CSSCCNC(=O)NC[C@]1(N(C)C)CCSC1	790761954	NLVTWNAMFOUATA-LLVKDONJSA-N	309.526	1.734	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@@H]2CCC(=O)[C@H]2C)nc1	793734878	GQBHSJMEURHXOI-UWVGGRQHSA-N	305.334	1.317	50	20	DDGD	
CC(C)N(C)c1ccc(C=NNC(=O)N2CCN(C)CC2)cn1	790174853	WUYPBHGQLXZPOE-UHFFFAOYSA-N	318.425	1.217	50	20	DDGD	
COc1ccccc1NC(=O)NNC(=O)c1cccc(C)n1	794750646	AZWUNDXBYAIFFL-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
COc1cc(NNC(=O)c2ccc(C(N)=O)cn2)ccc1Cl	790180844	OLRQAWZDLDKHQM-UHFFFAOYSA-N	320.736	1.599	50	20	DDGD	
CC(=NNC(=O)Cc1c[nH]c2ccccc12)c1ccc(O)nn1	790151293	YSLMPCUPBDIIQB-UHFFFAOYSA-N	309.329	1.746	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC(CC(F)(F)F)CC1	792933986	QIOKBEGKEBXRTM-UHFFFAOYSA-N	323.359	1.844	50	20	DDGD	
O=C(N=c1cc[nH]cc1F)NNc1cccc(F)c1[N+](=O)[O-]	790516350	OYDRQVRBJPNXNN-UHFFFAOYSA-N	309.232	1.839	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC[C@H]2CC[C@H](C)C2)n1	793460941	WABBQMWOTKGAQD-GWCFXTLKSA-N	307.398	1.267	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)C[N+](C)(C)C)cc1OC	1317718657	ZWVJWFGBQKIPHK-UHFFFAOYSA-O	308.402	1.640	50	20	DDGD	
Cc1ccc(C(=O)NCC(=O)NNC(=O)CC2CCCC2)s1	1322234744	ALMDXOUHECNHAL-UHFFFAOYSA-N	323.418	1.514	50	20	DDGD	
CC(=NNC(=O)CCO)c1cc(Br)ccc1O	1322320534	NPIXDABYXLREFG-UHFFFAOYSA-N	301.140	1.377	50	20	DDGD	
CC1(C)C[C@@H]1NC(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1328530235	FWORYORVUKCILO-LWINAJNOSA-N	303.200	1.191	50	20	DDGD	
C[C@H](NNC(=O)c1cncc(OCC(F)F)c1)C(F)(F)F	1329523168	VLWNTQKGAHSZPE-LURJTMIESA-N	313.226	1.911	50	20	DDGD	
COCc1nocc1C(=O)NNC(=O)Nc1ccc(OC)cc1	1324768344	SZPLOARVNHHBEI-UHFFFAOYSA-N	320.305	1.296	50	20	DDGD	
CC1=NO[C@](C)(C(=O)NNc2cccc(S(C)(=O)=O)c2)C1	1337165741	HVFNVDTUSDVUQT-ZDUSSCGKSA-N	311.363	1.088	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)NC1(C(F)(F)F)CC1	1333841494	AKUGMUZXDJGQOP-UHFFFAOYSA-N	300.244	1.450	50	20	DDGD	
C[C@@H](C(=O)NNc1ccn(C)n1)[C@H]1OCCc2sccc21	1331512751	IEPJUXNTYAZIQD-NOZJJQNGSA-N	306.391	1.875	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCc1coc(-c2ccccc2)n1	1330150770	VNTBXGWJONHEDO-UHFFFAOYSA-N	318.333	1.797	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@H](C)Cn2cccn2)c1	1348089478	LBQBGPKGFQAYNV-NSHDSACASA-N	321.406	1.533	50	20	DDGD	
CN1CCCC[C@H]1CNC(=O)NNc1cccc([N+](=O)[O-])c1	1347043594	RAKYPUZWRJAPNN-ZDUSSCGKSA-N	307.354	1.705	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccn(CCC(F)(F)F)n1	1350794821	UBYQPXDCBUHZQE-UHFFFAOYSA-N	323.344	1.353	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1ccn(C(F)F)n1	1352253322	GHPIPWMNTFDIJC-UHFFFAOYSA-N	312.305	1.305	50	20	DDGD	
O=C(N[C@H](CC1OCCO1)C(=O)O)c1cccc(CCl)c1	1601413560	JOPVRTJHVWAMSU-LLVKDONJSA-N	313.737	1.371	50	20	DDGD	
CC[C@@H](C)C(C)=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	1603997801	OSMXWHTVIYRXKS-SNVBAGLBSA-N	316.365	1.784	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C1(C(=O)O)CCC1)c1ccccc1	1603488983	SPCBKAYZGJSVDB-GFCCVEGCSA-N	304.346	1.583	50	20	DDGD	
O=C(O)CCCC(=O)NNC(=O)NCc1ccc(Cl)cc1	1608708800	LZJNWIWTKNGMOY-UHFFFAOYSA-N	313.741	1.425	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2ccc(C(=O)O)cc2F)CCC1=O	1609840971	VAHIINVRVYENQQ-IUCAKERBSA-N	308.309	1.972	50	20	DDGD	
CC[C@H](CSC)NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1604039680	OONIJIVRPAOKAG-SECBINFHSA-N	322.398	1.029	50	20	DDGD	
C/C=C(\CC)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	1603962393	KGGSNRNIGSBGDY-XVNBXDOJSA-N	307.745	1.715	50	20	DDGD	
NC[C@@H]1CCCC[C@H]1NC(=O)NNc1ccc(C(=O)O)cc1F	1601187466	SKMZWXQLLYJLOQ-CMPLNLGQSA-N	324.356	1.668	50	20	DDGD	
C[C@@H](Cc1cnc[nH]1)C(=O)NNc1ccc(C(=O)O)c(F)c1	1604242615	ZBPCCDPKTLVWRJ-QMMMGPOBSA-N	306.297	1.569	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCC2(C(=O)O)CCCCC2)cn1	1600946448	MZRWDIQSIGOIHB-NTUHNPAUSA-N	316.361	1.478	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@H]2C[C@H]2C(=O)O)C[C@@H]1Br	1604577230	HDKPMJWQPDOFSQ-HGIWHZBTSA-N	305.172	1.180	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=Cc1c[nH]c2ccc(C(=O)O)cc12	1601351540	CGMSNNXFWSUZOT-UHFFFAOYSA-O	323.332	1.304	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cccc3oc(O)nc23)c1	1602450373	UWVKCXKKCMXRMO-UHFFFAOYSA-N	313.269	1.989	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2nc(C3CC3)cs2)nc1	1608904673	DECIOCJLINSELI-UHFFFAOYSA-N	304.331	1.871	50	20	DDGD	
Cc1noc(C)c1CNC(=O)NNc1ccc(F)c(C(=O)O)c1	1600808878	CEBKEWPFIWDFON-UHFFFAOYSA-N	322.296	1.955	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)cc1C	1549318608	PXGHYXXBPXAAQJ-HOTGVXAUSA-N	301.390	1.617	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1cnn(C(C)C)c1	1549319612	WGBJCXALSDSBOH-GJZGRUSLSA-N	319.409	1.167	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@H]1C=NNC(=O)CC(F)(F)F	1552445943	AQKACMYQJQJCKX-CABZTGNLSA-N	318.299	1.942	50	20	DDGD	
N#Cc1ccc(NNC(=O)Nc2ccc(C(=O)O)cc2F)nc1	1574489155	ZTGTYIAVDLLUBS-UHFFFAOYSA-N	315.264	1.939	50	20	DDGD	
CCNCC(=O)NNc1ccc(OC)cc1Br	1577831784	NTCBSWRDIWREPP-UHFFFAOYSA-N	302.172	1.510	50	20	DDGD	
COCC[C@@H]1CNCCN1C[C@@H](CBr)C1CC1	1579011650	AUWCRCSYTKJPQP-CHWSQXEVSA-N	305.260	1.718	50	20	DDGD	
O=C(NNc1ccnc(C(F)(F)F)c1)[C@H]1C[C@@]12CCNC2	1574333740	IZCIHBDMEZAQHE-BXKDBHETSA-N	300.284	1.543	50	20	DDGD	
CCC(=O)N1CCCC12CN(C(=O)[C@@H](C)Br)C2	1842636363	DKJBPHNFNMQOHU-SECBINFHSA-N	303.200	1.383	50	20	DDGD	
CC1(C)OC[C@@H]2C[C@]21C(=O)NNc1cccc(-c2nn[nH]n2)c1	1590116484	CDYRAIRVGRHHIJ-ZUZCIYMTSA-N	314.349	1.125	50	20	DDGD	
COc1cccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1C	1591632959	PSMMNCKXQDJKKR-UHFFFAOYSA-N	324.344	1.941	50	20	DDGD	
CC[C@H](C(=O)O)C(=O)NNC(=O)Cc1ccc2ccccc2c1	1594755541	LUSCMQQHZQOAPF-AWEZNQCLSA-N	314.341	1.641	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C\c1cccc(F)c1-c1nn[nH]n1	1590601867	DEQJTFBHZNALFD-FLIBITNWSA-N	314.324	1.829	50	20	DDGD	
N#Cc1cscc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	1592706572	XWSBSZJIYCPWAV-UHFFFAOYSA-N	311.330	1.557	50	20	DDGD	
O=C(O)CCCC(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	1595027913	XOSCXATUSVJRQB-UHFFFAOYSA-N	301.686	1.946	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)CCc1ccncn1	1599376715	BJFQFWOTBPHKMY-UHFFFAOYSA-N	316.317	1.259	50	20	DDGD	
Cc1cc(CC(=O)NNC(=S)N[C@@H]2CCCC[C@@H]2C)[nH]n1	17514298	QWFDVHLMBLTARS-JOYOIKCWSA-N	309.439	1.335	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1nc2c(s1)CCCC2	160427407	YYDLPZUSRLTDIF-UHFFFAOYSA-N	320.378	1.969	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cc(C)n[nH]2)c1	151160262	LWRVJZUCTCIXJQ-NSHDSACASA-N	302.334	1.255	50	20	DDGD	
CCCC[C@H](CC)CC(=O)NNC(=O)C(=O)Nc1ccccn1	151879601	FCFCPXSSSIQLAC-LBPRGKRZSA-N	320.393	1.774	50	20	DDGD	
Cn1cc(CC(=O)NNc2nc(C(F)(F)F)cs2)cn1	152789293	UZFHQEHYSDMPDW-UHFFFAOYSA-N	305.285	1.581	50	20	DDGD	
CC(C)S(=O)(=O)CC(=O)NNc1ccc(C(F)(F)F)cc1	153808727	SWYIISHVBKZUOD-UHFFFAOYSA-N	324.324	1.972	50	20	DDGD	
CCC(CC)c1nnc(NC(=O)NNC(=O)CN(C)C)s1	154238858	JFTYWYKUIPCNAQ-UHFFFAOYSA-N	314.415	1.156	50	20	DDGD	
Cc1cc(NNC(=O)c2cnc(C(F)(F)F)nc2)nc(C)n1	155971674	BFZMJHLNCUYKDM-UHFFFAOYSA-N	312.255	1.659	50	20	DDGD	
O=S(=O)(CCl)NC[C@H]1CN(Cc2ccccc2)CCO1	311661922	GMEKHBNQCGPRCG-ZDUSSCGKSA-N	318.826	1.003	50	20	DDGD	
Cc1cccc(NC(=O)NNC(=O)Cn2nc(C)cc2C)c1	52804839	WTCYKEJDEALKGR-UHFFFAOYSA-N	301.350	1.661	50	20	DDGD	
CCCc1noc(CCCC(=O)NNc2nccnc2Cl)n1	114896652	PVLBIKCPOGPKAI-UHFFFAOYSA-N	324.772	1.932	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)NCCC1CC1	175595733	QIHLCBMGINZIPN-UHFFFAOYSA-N	301.350	1.007	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cccc(OC[C@@H]2CCCO2)c1	26238673	AOCAHLLXGZPVFG-AWEZNQCLSA-N	306.362	1.661	50	20	DDGD	
O=C(CC1(O)CCCC1)NNC(=O)c1c[nH]c2ccccc12	304220481	DPUWBMLWMVTXSZ-UHFFFAOYSA-N	301.346	1.624	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccc3nccn3c2)cc1	69434370	BJGJFKGYWFOQGG-UHFFFAOYSA-N	323.356	1.516	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2N)c(C)o1	175717480	XJXUMYZADLJCIF-UHFFFAOYSA-N	318.289	1.462	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccccc2C(C)(C)C)cn1	124554400	QBRTWBFKBKRGTI-UHFFFAOYSA-N	300.362	1.792	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2ccoc2C)cc1	61478492	YZOKSKRYDSWGPB-UHFFFAOYSA-N	303.318	1.470	50	20	DDGD	
C[C@@H](CN1CCCCC1)NC(=O)NNC(=O)c1ccccc1O	79294503	GEZXPAXYGUWTES-LBPRGKRZSA-N	320.393	1.211	50	20	DDGD	
C[C@@H]1Oc2ccccc2N(CC(=O)NNc2ccccn2)C1=O	181182516	ZYPUIRMCEIBBPX-NSHDSACASA-N	312.329	1.339	50	20	DDGD	
COC[C@@H](C)n1ccc(NC(=O)NNC(=O)CC2CCCC2)n1	189875219	OSBXYCADPKGAFU-LLVKDONJSA-N	323.397	1.824	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	124701336	CKPUTUQMXUJIAU-JOYOIKCWSA-N	314.382	1.882	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc2oc(=O)ccc2c1	126277301	INGDKTVBVMLZRW-UHFFFAOYSA-N	303.318	1.992	50	20	DDGD	
Cc1cncc(NC(=O)C(=O)NNc2ccc(F)cc2C)c1	189180525	JXQLTNWAKJQKNH-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
O=C(CC1CCSCC1)NNC(=O)c1cccc([N+](=O)[O-])c1	122960629	HGSVZHYPNLPING-UHFFFAOYSA-N	323.374	1.889	50	20	DDGD	
C[C@H](NC(=O)NNc1nc2ccccn2n1)c1cccc(O)c1	188878744	XQGZNRJIBCMMEI-JTQLQIEISA-N	312.333	1.822	50	20	DDGD	
C[C@H](CBr)CN1CCN(C[C@H]2CCOC2)CC1	186364885	NSPXLWAKSHVNLN-CHWSQXEVSA-N	305.260	1.672	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NNc1ccnc(F)c1	182492181	MFKFPBFHZWPOHD-UHFFFAOYSA-N	312.345	1.969	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H](C)Cc1ccc(C)cc1	180991454	QLKDNSFMYWVUQZ-ZDUSSCGKSA-N	307.394	1.541	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)NCC2CCC2)c1	47053587	NKHKOPWVHJOMNV-UHFFFAOYSA-N	305.378	1.813	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccncc2Cl)n1	72935244	FSLXDZJNYNMPHW-UHFFFAOYSA-N	307.741	1.010	50	20	DDGD	
CCc1cc(NNC(=O)c2ccon2)nc(-c2ccccn2)n1	131340252	IQRPUNIYEALEEG-UHFFFAOYSA-N	310.317	1.846	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNC(=O)Cc1ccc2ccccc2c1	193710005	PYXRSTCWXXJDSJ-FOWTUZBSSA-N	323.352	1.974	50	20	DDGD	
O=C(NCCCOCC1CC1)NNC(=O)c1ccccc1O	45131438	ZUKCNHQLJPOGNR-UHFFFAOYSA-N	307.350	1.153	50	20	DDGD	
O=C(NNc1nc2ccccc2c(=O)[nH]1)c1n[nH]c2ccccc12	137146032	ITWYVOBWVNYRHI-UHFFFAOYSA-N	320.312	1.556	50	20	DDGD	
COc1nccnc1NNC(=O)COc1ccc(F)cc1F	131738819	DJRCFXLJGUBVIH-UHFFFAOYSA-N	310.260	1.286	50	20	DDGD	
Cc1ccc(-c2nc(C)c(C(=O)NNC(=O)C(C)(C)O)s2)o1	190070797	FNAVZKSBYOGZHL-UHFFFAOYSA-N	323.374	1.552	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2ccccc2F)nc(C)n1	130346029	DILUPZGTNHSUJN-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
CC(C)NC(=O)NNS(=O)(=O)c1cnc2ccsc2c1	84460807	NLJFPHGUMIJDKT-UHFFFAOYSA-N	314.392	1.197	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCN2CCCC2)cc(C#N)n1C	192724030	YOPANTIQVNBFAB-OQLLNIDSSA-N	311.389	1.324	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc(-n2ccnn2)cc1	89856095	HTPIMXLFCJKHJU-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1n[nH]c2c1CCCCC2	190300201	ZFEXTZJMTHCYLZ-UHFFFAOYSA-N	313.361	1.077	50	20	DDGD	
CC[C@@H](C)[C@H](C)NC(=O)NNC(=O)COc1ccccc1C#N	98120759	UFCHRECKASMBEC-NEPJUHHUSA-N	318.377	1.702	50	20	DDGD	
O=C(NN=Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1O	254704823	ICFIGMOXWCFOMA-UHFFFAOYSA-N	301.258	1.770	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C2CCC2)cnn1-c1ccc(F)cc1	264809693	VKNXGLALWSFWSQ-UHFFFAOYSA-N	316.336	1.881	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NNC(=O)NC1CC1	265071599	VQNKSWOVNFSSNU-SSDOTTSWSA-N	315.732	1.739	50	20	DDGD	
CCOC(=O)N1CCC(NC(=O)NNc2ccc(C)nn2)CC1	264358595	HDIIVZZKHLRLLC-UHFFFAOYSA-N	322.369	1.032	50	20	DDGD	
CO[C@@H]1CCCN(CC(=O)NNC(=O)c2ccc(F)cc2)CC1	363672589	KCOXOIWMLDPNJC-CQSZACIVSA-N	323.368	1.088	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNC(=S)Nc1ccc(C)cc1C	268327450	LVPRBNRAJWLQFM-LLVKDONJSA-N	323.418	1.820	50	20	DDGD	
CCN1CCOC[C@H]1C(=O)NNc1ccc(OC(F)F)cc1	367660622	JCAAUGOZYABSNZ-LBPRGKRZSA-N	315.320	1.452	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(C(C)(C)C)on2)nc1	270416610	ZRKIQZMGEWMWIM-UHFFFAOYSA-N	318.333	1.911	50	20	DDGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1cnsn1	369227646	ANQMZWAXOPGLRM-UHFFFAOYSA-N	322.737	1.998	50	20	DDGD	
CCOc1cc(C(=O)NN)ccc1OCC(=O)N1CCCCC1	270201184	GHQOYOJDGKCGTF-UHFFFAOYSA-N	321.377	1.080	50	20	DDGD	
O=C(NN=c1nc(-c2ccccc2)[nH]o1)[C@H]1C[C@@]12CCOC2	368106039	ABKMPNITYPWGML-IAQYHMDHSA-N	300.318	1.028	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@H]1CC(=O)c2ccccc21	276963620	ZLWRVBUZRCBDQS-NSHDSACASA-N	323.443	1.215	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@H]1CCN(c2ccccn2)C1	276737390	XFQQESXMHGTJJZ-ZDUSSCGKSA-N	312.377	1.690	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNC(=O)C2CCC2)c(Cl)c1	274089993	NCPYBZBZOIGFPL-UHFFFAOYSA-N	320.736	1.098	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(SC)ccc1C	276055410	BTHPBYKZLJAJLO-UHFFFAOYSA-N	324.406	1.348	50	20	DDGD	
C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CC=C(C#N)CC1	272566499	CNKLUJREDBBPDH-GFCCVEGCSA-N	310.357	1.516	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](CO)COC)cc1	279977282	KUGRWQNQKYBENF-CZAWJFPGSA-N	304.346	1.116	50	20	DDGD	
O=C(NC[C@H]1CC(=O)N(C2CC2)C1)NNc1ccc(Cl)nc1	272809411	NHKPMIDOYXIVBK-SECBINFHSA-N	323.784	1.372	50	20	DDGD	
CCNC(=O)c1cccc(OS(=O)(=O)CBr)c1	272847797	UWKHODMHVNPKGH-UHFFFAOYSA-N	322.180	1.497	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCn3c(cnc3C)C2)s1	289496182	ALCNVWSXRUZTOD-LLVKDONJSA-N	318.402	1.585	50	20	DDGD	
CSSCCNC(=O)Nc1ccc(-n2cnnn2)cc1	284531023	MMEIRCFBDHECBD-UHFFFAOYSA-N	310.408	1.795	50	20	DDGD	
CSSCCNC(=O)N1CC[C@H](C(=O)N2CCCC2)C1	376500477	HHWAOEHDEHJOSH-NSHDSACASA-N	317.480	1.652	50	20	DDGD	
COCCOC1CCC(C(=O)NNC(=O)c2cccn2C)CC1	280104443	BPLWEQORJZPWCU-UHFFFAOYSA-N	323.393	1.008	50	20	DDGD	
COC(=O)C1(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)CC1	283759302	MQDJLUQWEAWFHC-UHFFFAOYSA-N	313.260	1.071	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNc1nc2ccccc2c(=O)n1C	282714618	LQFFDBPCESHSQK-OPQQBVKSSA-N	316.361	1.190	50	20	DDGD	
C[C@H](C[S@](C)=O)N(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	280074505	CBRVYXUCXAMGCY-HRRYQXALSA-N	306.387	1.525	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21	285148172	YOHRMNWDTHAYCD-LLVKDONJSA-N	324.402	1.141	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@](C)(C#N)CC	284835787	BNUHEYFPKLKHOD-INIZCTEOSA-N	319.361	1.551	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(C)c(OC)cc1Cl	808898630	FLVOPBNVHKQYMI-UHFFFAOYSA-N	301.730	1.456	50	20	DDGD	
Cc1cc(C(F)(F)F)nn1CC(=O)NNC(=O)CC1CC1	294163886	NDZGZELZSOJICQ-UHFFFAOYSA-N	304.272	1.158	50	20	DDGD	
C[S@@](=O)Cc1ccc(CNC(=O)NNc2ncccn2)cc1	807559490	QNKBXCZQXKSBDG-JOCHJYFZSA-N	319.390	1.181	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NC1CCSCC1	299613597	LLPYSVJKGDSVBL-UHFFFAOYSA-N	323.418	1.464	50	20	DDGD	
C[C@@H](CBr)CN(C)CCCN(C)CCN(C)C	808781832	UAPRMIWRHUXLQR-ZDUSSCGKSA-N	308.308	1.833	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@@H](C1CC1)C(F)(F)F	808865916	IHODGGNTOISVOR-LURJTMIESA-N	307.194	1.610	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1	298678653	XRKGUGPNODEXOW-OAHLLOKOSA-N	318.421	1.637	50	20	DDGD	
Cc1noc(C)c1C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802105497	ZPRIIVJVPZBDPR-UHFFFAOYSA-N	318.289	1.487	50	20	DDGD	
CCCCC[C@@](C)(CC)C(=O)NNC(=O)N1CCN(C)CC1	807380064	NVPVDEFLVUNCSL-MRXNPFEDSA-N	312.458	1.971	50	20	DDGD	
CCc1[nH]ccc1C(=O)OCC(=O)NNC(=O)c1ccccc1	803776142	JCOUAXSDYUGUAQ-UHFFFAOYSA-N	315.329	1.195	50	20	DDGD	
O=C(NNC(=O)c1noc2c1CCCC2)NC1CCCCC1	298868895	UVSSJOGJYSNREM-UHFFFAOYSA-N	306.366	1.830	50	20	DDGD	
CC[S@](=O)CC(=O)NNC(=O)c1ccc(Cl)cc1F	295453108	YBCMKLRGJFFLCS-IBGZPJMESA-N	306.746	1.009	50	20	DDGD	
COc1ccc(OCCCC(=O)NNc2ccncn2)cc1	295534900	RRQBDEDYTYNFMM-UHFFFAOYSA-N	302.334	1.788	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	299736821	JGHBVUNWCUNPKC-FPLPWBNLSA-N	306.234	1.885	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)ccc1[N+](=O)[O-]	295249514	ABFLYQLFFZAVMQ-LBPRGKRZSA-N	307.306	1.233	50	20	DDGD	
CC(=O)c1cc(NC(=O)NNC(=O)c2ccc[nH]2)ccc1F	806569507	SSODCOQSZBFVQZ-UHFFFAOYSA-N	304.281	1.823	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1nc2ccccc2n1C	298637374	JBDINTHXCWXXRT-UHFFFAOYSA-N	303.366	1.450	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2cccc3cccnc23)on1	814824245	OGBWGIRIJBPCFE-UHFFFAOYSA-N	324.296	1.773	50	20	DDGD	
CC(=NNC(=O)COc1ccc(F)cc1)c1ccc(N)nc1	814749179	RSJOJGNVUGVXET-UHFFFAOYSA-N	302.309	1.722	50	20	DDGD	
COc1ccc2[nH]cc(CC(=O)NNc3ncncc3F)c2c1	817080230	WJSQCDKLRVYXBW-UHFFFAOYSA-N	315.308	1.791	50	20	DDGD	
C[C@H](CC(=O)NCCCSC#N)NC(=O)c1ccccc1	816539268	YSBFXEHTKAYZIR-GFCCVEGCSA-N	305.403	1.916	50	20	DDGD	
O=C(NN=Cc1ccccc1-n1cncn1)c1ccccc1O	814694978	HLQVGTAPXWLDBY-UHFFFAOYSA-N	307.313	1.737	50	20	DDGD	
Cc1c[nH]nc1C=NNC(=O)C(=O)NCc1ccc(Cl)cc1	814892444	ULIHASCCRKUDKN-UHFFFAOYSA-N	319.752	1.138	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2cn(C)nc2O)cc1C	814213162	AMYZCCWIHIMVBO-UHFFFAOYSA-N	302.334	1.272	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1COc2ccc(Cl)cc21	814854733	VWGGNMPRMNBAKI-UHFFFAOYSA-N	323.780	1.858	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	819122529	CSSWSEYNCQPKKZ-HZQMYPQZSA-N	306.284	1.290	50	20	DDGD	
O=C(CC1OCCCO1)NNc1cc(Cl)nc(Cl)c1	819747154	LZUGJHANQRJTFX-UHFFFAOYSA-N	306.149	1.985	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNc3cccnn3)(CC1)CC2	816068257	ODKYBFWLIVYXLX-UHFFFAOYSA-N	304.350	1.433	50	20	DDGD	
Cc1cc(CC(=O)NN=C2CC[C@@H](C(=O)O)C(C)(C)[C@@H]2C)n[nH]1	814787991	XERMUSNSGSVPIV-PWSUYJOCSA-N	320.393	1.890	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ccccn2)cn2ccnc12	815558217	VMFRZGLUOWTOAT-UHFFFAOYSA-N	310.317	1.120	50	20	DDGD	
CC(=NNC(=O)[C@H](C)Oc1ccccc1F)c1cc(CO)on1	812224647	GUAZDASAALNUNJ-JTQLQIEISA-N	321.308	1.614	50	20	DDGD	
CC(=NNC(=O)CNc1ccc(C)cc1)c1cc(CO)on1	812222379	NUWVTVUTDMQAGX-UHFFFAOYSA-N	302.334	1.428	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=CCC(F)(F)F)c1	817323329	MUZIWXGPHJPXQO-UHFFFAOYSA-N	308.281	1.758	50	20	DDGD	
COc1cc(C=NNC(=O)Cc2cc[nH]n2)c2c(c1)C[C@@H](C)O2	814955872	BAQFBSBYGZDHDR-SNVBAGLBSA-N	314.345	1.435	50	20	DDGD	
Cc1cc(NNC(=O)C[C@]2(C)CC2(Cl)Cl)nc(N)n1	828371050	DHHYRBNZJNHCBY-SNVBAGLBSA-N	304.181	1.784	50	20	DDGD	
CC(C)CCO[C@@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	824249632	QIXOAPHEQFGVTH-NSHDSACASA-N	318.381	1.761	50	20	DDGD	
CCCCO[C@H]1C[C@H](NCC(=O)NNC(=O)C2CC2)C1(C)C	829678006	VSXMWWSOPCIYHG-STQMWFEESA-N	311.426	1.117	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cn(C)c3ccccc23)CO1	825552151	SFXVKLBEUHXSOC-MNOVXSKESA-N	316.361	1.300	50	20	DDGD	
CN(C)CC1(C(=O)NNc2ccc(C(F)(F)F)nn2)CC1	821306603	LJTMXVDAQDHIKY-UHFFFAOYSA-N	303.288	1.280	50	20	DDGD	
CC(C)[C@H](O)C1(CNC(=O)/C(C#N)=C\c2cnn(C)c2)CC1	491088303	ZGMVNPXHXCJHDO-XMRSSTEGSA-N	302.378	1.240	50	20	DDGD	
COC(=O)NNC(=O)c1cnn(CCC#N)c1-c1ccccc1	496890492	FGMDGZCXIYRTHU-UHFFFAOYSA-N	313.317	1.465	50	20	DDGD	
O=C(NN=Cc1ccc(-c2nn[nH]n2)o1)NC1CCCCC1	823273333	JYXZKWVNQFNFRC-UHFFFAOYSA-N	303.326	1.426	50	20	DDGD	
CO[C@@H](Cc1ccccc1)C(=O)NNc1nc(C)cc(C)n1	822342729	ZBALZOUPJJTNKZ-AWEZNQCLSA-N	300.362	1.794	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC2(CCCC2)CC1	827269205	VZRPHMVQIHQOLU-QWHCGFSZSA-N	309.410	1.808	50	20	DDGD	
O=C(NN=CC1CCOCC1)c1ccc(-c2nn[nH]n2)cc1	826444737	RWPCYGYVNFFRHZ-UHFFFAOYSA-N	300.322	1.009	50	20	DDGD	
CN1CCCC[C@H](C(=O)NNc2cnc3ccccc3n2)C1=O	821954250	GHNUMLMCWDQFDY-LLVKDONJSA-N	313.361	1.331	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)c1ccc(-c2nn[nH]n2)cc1	826446808	ZNBJQWDIXGGDKJ-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
Cc1cc(NNC(=O)C2(C)CN(C(=O)OC(C)(C)C)C2)ncn1	497303287	ZKTNSFFOZOJZKP-UHFFFAOYSA-N	321.381	1.485	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cnc(OCc2ccccc2)cn1	823928114	LAUJINKIPIGXLL-GFCCVEGCSA-N	316.361	1.013	50	20	DDGD	
COCCOc1cc(C)ccc1NCc1ccccc1B(O)O	585011990	BAQFWISMGLDFND-UHFFFAOYSA-N	315.178	1.312	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@H](c1ccc(F)cc1)C(C)C	828101170	IPCCOUUOQKZCBW-HNNXBMFYSA-N	309.385	1.916	50	20	DDGD	
CCO/C=C\[C@](O)(CNC(=O)/C(C#N)=C\OCC)C(F)(F)F	491015228	ZYKXBYCQYZDKHG-CRVJFCDSSA-N	322.283	1.390	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C	495991847	UIDNDSRCZMADOD-NXEZZACHSA-N	315.370	1.361	50	20	DDGD	
C[C@H](Cc1ccsc1)NC(=O)NNC(=O)Cc1cccnc1	728949495	VHXDFLQEGOJQQN-LLVKDONJSA-N	318.402	1.647	50	20	DDGD	
CN1CC[C@](Cc2ccccc2)(C(=O)NNc2ccccn2)C1=O	821743321	QGRBSAIUGHLCOZ-SFHVURJKSA-N	324.384	1.616	50	20	DDGD	
CC[C@@H](NC(=O)NNc1cccc(S(C)(=O)=O)c1)C1CC1	822567571	PQQOSWSTZAGHRG-CYBMUJFWSA-N	311.407	1.905	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@@H]3CCN(C)C3=O)nc12	828359211	WSCXLDNCUROCIW-VIFPVBQESA-N	304.375	1.526	50	20	DDGD	
CN1C(=O)CC[C@@H](NC(=O)NNc2ccccc2Cl)C1=O	824794606	SZPHKDYQWLPEDB-SNVBAGLBSA-N	310.741	1.114	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(OC)c(Cl)c(OC)c1	496458668	OEEDTIODHJTDPG-UHFFFAOYSA-N	303.702	1.750	50	20	DDGD	
COC(=O)CCc1ccccc1C(=O)NNC(=O)C1CCC1	900659208	LQQFSOOLVLRJIQ-UHFFFAOYSA-N	304.346	1.353	50	20	DDGD	
COc1cccc(NNC(=O)c2cc(-c3nn[nH]n3)cs2)n1	826217135	ZNHTYMQKRWACMQ-UHFFFAOYSA-N	317.334	1.089	50	20	DDGD	
CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	900697208	ILWOHUSINBTHLY-BXUZGUMPSA-N	316.361	1.040	50	20	DDGD	
CN(NS(=O)(=O)c1ccc(N)cc1)C(=O)OC(C)(C)C	497154497	YXKZZVBHHCHNRN-UHFFFAOYSA-N	301.368	1.329	50	20	DDGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccn(C)n2)ccc1C#N	491135269	SQTBZYFNSMRXTA-QPEQYQDCSA-N	307.313	1.846	50	20	DDGD	
CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)/C(C#N)=C\c1cnn(C)c1	491106536	SQPHFXFKHHHWPL-HDVOTEKKSA-N	316.405	1.894	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC[C@H](c2cccc(F)c2)C1	732201274	SXRYAZPAHLSJTD-YPMHNXCESA-N	307.369	1.561	50	20	DDGD	
Cc1cccc(C[C@H](CO)NC(=O)/C(C#N)=C\c2cnn(C)c2)c1	491177157	UTCUATNGMPBSDX-BOVGMKJQSA-N	324.384	1.355	50	20	DDGD	
C[C@@H](CNC(=O)/C(C#N)=C\c1ccc(F)cc1)S(C)(=O)=O	490839090	CCYKNSDKKASUIO-BZPKPHBRSA-N	310.350	1.282	50	20	DDGD	
CCCCn1ncc(NCc2ccc(B(O)O)cc2)c1CC	585037845	LPMFUQUVNNRBHK-UHFFFAOYSA-N	301.199	1.538	50	20	DDGD	
COCCO[C@@H]1CCCN(C(=O)[C@]2(C)C[C@H]2Br)C1	908036258	NYDZQOHVDUUBHM-NQBHXWOUSA-N	320.227	1.814	50	20	DDGD	
C[C@H]1CC(CCNCc2ccc(B(O)O)cc2F)C[C@H](C)O1	585043128	YCTQICHKLFDNLI-RYUDHWBXSA-N	309.190	1.189	50	20	DDGD	
CCN(CC(=O)NNC(=O)Cc1nc(C)cs1)C1CCC1	738313666	KIQUPURSQOSNKE-UHFFFAOYSA-N	310.423	1.016	50	20	DDGD	
CN(C)c1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)NCC2CC2)cc1	730531897	FTXKTQDDWTXBBB-LSDHHAIUSA-N	316.405	1.597	50	20	DDGD	
COc1ccc(O)c([C@H](C)NC(=O)NNC(=O)C(C)(C)C)c1	731499621	YGBOMCDLAKQPSJ-VIFPVBQESA-N	309.366	1.838	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)n1cc(CN(C(C)C)C(C)C)nn1	900541703	GSQDWMXDTTXFNT-LBPRGKRZSA-N	324.429	1.015	50	20	DDGD	
OB(O)c1ccc(CN[C@@H](c2ccccc2)[C@@H]2CCCO2)cc1	585019358	KSKVJTSHMKRAAD-ROUUACIJSA-N	311.190	1.376	50	20	DDGD	
O=C(NNS(=O)(=O)c1coc2ccccc12)C1CCOCC1	901946459	CGILVMFAZBHTMP-UHFFFAOYSA-N	324.358	1.169	50	20	DDGD	
O=C(NCc1cocn1)NNC(=O)C12CC3CC(CC(C3)C1)C2	730830259	OZRFIMRRIGRQHN-UHFFFAOYSA-N	318.377	1.721	50	20	DDGD	
O=C(CC1(O)CCCC1)NNc1cccc(Br)n1	837210558	RSRYFWMLVFCSHC-UHFFFAOYSA-N	314.183	1.982	50	20	DDGD	
CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)C(C)(C)C)C1	734220075	DAYDZTRMBIEDCA-GHMZBOCLSA-N	312.414	1.010	50	20	DDGD	
CC(C)Oc1ncccc1CNC(=O)NNc1ccncn1	836239360	GFWTYFCFTPUULY-UHFFFAOYSA-N	302.338	1.485	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](CC)N(C)C(=O)OC(C)(C)C	831858733	SSXBHHZUWDYHEV-SNVBAGLBSA-N	316.402	1.324	50	20	DDGD	
O=S(=O)(CBr)N[C@@H](C1CC1)[C@H](CO)C1CC1	832230701	FSADCSFZEXYMCI-ZJUUUORDSA-N	312.229	1.055	50	20	DDGD	
CC(C)c1ccc(NNC(=O)CCSc2nnnn2C)cc1	837056400	OUTKLGNFKWUKOW-UHFFFAOYSA-N	320.422	1.959	50	20	DDGD	
Cc1nc(-c2cnn(C)c2)sc1C(=O)NNc1ncccn1	734423010	JYXHZQMFKZZHES-UHFFFAOYSA-N	315.362	1.399	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc2c(c1)N(C)CC2	831616941	YRQWVPYVSWBQNO-ZWNOBZJWSA-N	318.377	1.257	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc2nsnc2c1	833242710	NDRVMSDGYSLCEV-LLVKDONJSA-N	306.347	1.021	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@]1(C)CCc2ccccc21	830271610	USDFFLLFULKFJI-DIFFPNOSSA-N	318.373	1.380	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@@H]1CCN2CCC[C@H]2C1	916572767	DWAUYCGZOILKDF-NEPJUHHUSA-N	320.368	1.397	50	20	DDGD	
O=C(CC[C@@H]1CCCO1)NNC(=O)c1cc(Cl)ccc1O	914831131	ODSKHSVHRPAOHO-JTQLQIEISA-N	312.753	1.766	50	20	DDGD	
C[C@]1(C(=O)N2CCC[C@H](n3ccnn3)C2)C[C@H]1Br	911290569	BDBFCXTXMONBPJ-UMNHJUIQSA-N	313.199	1.615	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCc1cnn(-c2ccccc2)c1	910179351	LGZMOABNKHPSOK-CYBMUJFWSA-N	302.378	1.149	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1	919877940	OYSYBADBDCVWPF-UHFFFAOYSA-N	301.302	1.723	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)[C@H]1CCN(C)C(=O)C1	912587345	KELGFFPNYDTNQD-NSHDSACASA-N	306.318	1.985	50	20	DDGD	
Cc1c(NNC(=O)c2ccc([N+](=O)[O-])[nH]2)cccc1[N+](=O)[O-]	748670234	QLJVVJPOWYDHSE-UHFFFAOYSA-N	305.250	1.896	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCCNC(C)C)c1	841931374	ARYJRNVNZJVYIW-UHFFFAOYSA-N	308.382	1.487	50	20	DDGD	
NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1cccc(Cl)c1Cl	848220078	MEGARCIZWTTWFP-BQBZGAKWSA-N	302.161	1.948	50	20	DDGD	
CC(=O)c1ccc2c(c1)CN(C(=O)NNC(=O)C(C)(C)C)C2	841584733	NDCMPTCXBFGZCO-UHFFFAOYSA-N	303.362	1.992	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCc3c2cccc3[N+](=O)[O-])CC1	848409303	SKDKKTWDAJAHTN-UHFFFAOYSA-N	317.349	1.202	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)c2ccc(S(N)(=O)=O)o2)c1	748415049	FXVJNFJYSKJAHI-UHFFFAOYSA-N	309.347	1.301	50	20	DDGD	
CCC(=NNC(=O)C(=O)NC(CC)CC)c1c(C)nn(C)c1C	741844123	VDYBGVIEZBWBCK-UHFFFAOYSA-N	321.425	1.572	50	20	DDGD	
O=C(C[C@@H]1C[C@H]2CC[C@H]1O2)NNc1cc(O)nc2ncccc12	913988298	UFNCEBDDXLLJER-OPQQBVKSSA-N	314.345	1.736	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2ncccn2)[C@@H]1c1ccccc1	841592677	VLWQTBRFLYCJLX-AAEUAGOBSA-N	311.345	1.524	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(OC[C@H]2CCCO2)cc1	910180528	LIURFIRJGOGKLT-SWLSCSKDSA-N	308.378	1.202	50	20	DDGD	
O=C(NC1CC1)c1ccc(C=NNC(=O)c2ccccn2)cc1	912773389	OCRRJWRUINUHHM-UHFFFAOYSA-N	308.341	1.738	50	20	DDGD	
CS(=O)(=O)CCCNC(=O)NNc1ccc(F)c(F)c1	918171834	ZXEGHEJSIIRODP-UHFFFAOYSA-N	307.322	1.026	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccc2c(c1)CNCC2	841303799	JLFAQWVMZKCDIO-UHFFFAOYSA-N	314.349	1.280	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1cccc(C(F)(F)F)c1	916359041	GAZVBJYBVCVEOJ-UHFFFAOYSA-N	313.279	1.778	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@H]2CCCNC2)cc1	841925969	JBPKVTBVVVFTMT-ZDUSSCGKSA-N	304.394	1.193	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC2=CCNCC2)c1	841972127	WDLNKJTXXUZUGB-UHFFFAOYSA-N	304.350	1.019	50	20	DDGD	
COc1cccc2[nH]c(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)cc12	911502964	ONCCCFPGDQNVFS-VHSXEESVSA-N	317.345	1.363	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)[C@@H]2CCO[C@H]2C)C[C@@H]1C	842562425	PVOYBZBCIHLQDF-CDGCEXEKSA-N	310.394	1.883	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H](C2CCC2)C1	841578773	WPMXDDYQWKGBHP-CQSZACIVSA-N	302.378	1.487	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccc3nc(O)oc3c2)n1	740103672	XXYAARXAWHCGRL-UHFFFAOYSA-N	314.305	1.146	50	20	DDGD	
O=C(NC[C@@H]1CCCN1)NNC(=O)c1cc2ccccc2o1	841938462	MSEMXKIJUFWRIJ-NSHDSACASA-N	302.334	1.129	50	20	DDGD	
C[C@@H]([C@H](C)C(=O)NNc1cccc([N+](=O)[O-])c1)S(C)(=O)=O	841409912	XSFOTDAROZSKBW-IUCAKERBSA-N	315.351	1.107	50	20	DDGD	
COCCCNC(=O)NN=C1CCCc2cc(C#N)ccc21	743436338	VBWOCLNLQMEYBN-UHFFFAOYSA-N	300.362	1.934	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@@H]2CS[C@H](C)C2)cc1	845259614	MHZQWEQLWYUSGU-MFKMUULPSA-N	323.418	1.922	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccn3nnnc3c2)C[C@H]1Br	857406998	BUQZNQQGLZTKNM-KCJUWKMLSA-N	310.155	1.028	50	20	DDGD	
Cc1ccc(CO[C@@H](C)C(=O)NNC(=O)c2cccn2C)cc1	858165608	KRWKJKHUCOYEGQ-ZDUSSCGKSA-N	315.373	1.700	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1c(C)cccc1O	858163927	MJHGCYLMODMLRH-UHFFFAOYSA-N	311.407	1.188	50	20	DDGD	
CCO[C@@H]1COCC[C@H]1NC(=O)NNc1cc(F)ccc1C	853987967	KKUKAAMZVTVQTC-TZMCWYRMSA-N	311.357	1.954	50	20	DDGD	
O=C1CC[C@H](CC(=O)OC[C@@H](CBr)C2CC2)CN1	859717781	VPHHDABVSAJZFY-MWLCHTKSSA-N	318.211	1.867	50	20	DDGD	
CC(C)CC(=O)NN=Cc1ccccc1OCC(=O)N(C)C	920366718	WKQIUUVSMRDKGM-UHFFFAOYSA-N	305.378	1.650	50	20	DDGD	
Cc1c(CCC(=O)NC[C@]2(C)C[C@@H]2Br)cnn1C	857394870	PEJMCEFJQVTUPJ-AAEUAGOBSA-N	314.227	1.951	50	20	DDGD	
COc1cccc(C=NNC(=O)CNC(=O)c2ccco2)c1	750944138	ROQOUSDBVOMJLH-UHFFFAOYSA-N	301.302	1.168	50	20	DDGD	
CC(C)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1	858699246	MZNNFCUCMOBTHB-JHJVBQTASA-N	324.425	1.200	50	20	DDGD	
CCCC[C@H](CCC)CNC(=O)NNC(=O)[C@H]1CCC(=O)N1	858288502	IXOBRMDIGVIFDF-NWDGAFQWSA-N	312.414	1.202	50	20	DDGD	
O=C(NC[C@H]1CCCCS1(=O)=O)NNc1ccc(F)cc1	753272901	NWUQXIZKTWPPBH-GFCCVEGCSA-N	315.370	1.419	50	20	DDGD	
Cc1ncc(CNC(=O)NC[C@]2(C)C[C@H]2Br)o1	856862718	AJZHDFXKTRIXIN-KOLCDFICSA-N	302.172	1.956	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)C2CCC2)C[C@H]1Br	856900944	ZVKNWHGQAFLZRG-LDYMZIIASA-N	304.188	1.290	50	20	DDGD	
COc1ccccc1CC(C)(C)C(=O)NNC(=O)c1cc[nH]n1	855358364	HVAXVOQNPGTZSS-UHFFFAOYSA-N	316.361	1.448	50	20	DDGD	
CCNC(=O)CCCC(=O)NNc1ccc(C)c(C(=O)OC)c1	857267624	KVAICQVYVQLCFR-UHFFFAOYSA-N	321.377	1.531	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1cccc(C)c1	853388874	VHVSVTVFNLNBEQ-CVEARBPZSA-N	301.390	1.698	50	20	DDGD	
CCCc1ccc(C=NNC(=O)Cc2cc(O)nc(O)n2)s1	857208873	LNVQAKQAJFCGOB-UHFFFAOYSA-N	320.374	1.595	50	20	DDGD	
COc1cc(C(=O)NN=C2CN(C)C[C@@H]2C)cc(OC)c1OC	752155918	UTNPDTLOJJAVQR-JTQLQIEISA-N	321.377	1.380	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)C1(n2cnnn2)CCCCC1	855371057	QCEVNWLNXLLFGW-UHFFFAOYSA-N	318.356	1.923	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C[C@@H](C)COC)cc1OC	755052761	WHHSAQVQMHLQTI-LLVKDONJSA-N	324.377	1.528	50	20	DDGD	
O=C(COC(=O)C(C1CC1)C1CC1)NNC(=O)c1cccs1	753526086	FBAPRLPJDORXDN-UHFFFAOYSA-N	322.386	1.489	50	20	DDGD	
O=C(NN=C1CC(CF)(CF)C1)[C@@H]1CN2CCC[C@@H]2CO1	853391184	BWLLYIAGOPLGJW-NEPJUHHUSA-N	301.337	1.041	50	20	DDGD	
CC(=O)N1CCC(C(=O)NC[C@]2(C)C[C@@H]2Br)CC1	857403896	KJRMBQABQGRJMI-AAEUAGOBSA-N	317.227	1.535	50	20	DDGD	
Cc1ccc2nc(C(=O)NNC(=O)NC3CCCC3)cn2c1	858853699	VAJLUSOIFQHCKL-UHFFFAOYSA-N	301.350	1.529	50	20	DDGD	
COC(C)(C)CN(C)CC(=O)NNC(=O)c1ccc(C)cc1	758816842	YICZBXKNTJKMEE-UHFFFAOYSA-N	307.394	1.113	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)OCC(F)(F)F	856025510	RSFHQSOPLVXZKC-SSDOTTSWSA-N	324.230	1.913	50	20	DDGD	
CS(=O)(=O)c1ccc(C(=O)NCCCSC#N)s1	854366832	HXNRKEUIVWTXKF-UHFFFAOYSA-N	304.418	1.486	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2cc1O)Nc1cccnn1	757660754	JYDJCKYNZIATPN-UHFFFAOYSA-N	323.312	1.802	50	20	DDGD	
Cc1cnc(C=NNC(=O)CCCNC(=O)C(C)(C)C)s1	853407282	AXSOOADEEAHYIG-UHFFFAOYSA-N	310.423	1.844	50	20	DDGD	
CCc1cnc(O)c(C(=O)NNC(=O)NC2CCCCC2)c1	854192934	YBSPWMMBYJIWAQ-UHFFFAOYSA-N	306.366	1.626	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNC(=S)NCC1CCC1	855090629	JEJRKQWSIAZDPN-VIFPVBQESA-N	323.466	1.816	50	20	DDGD	
COC1(C(=O)NNc2nc3ccccn3n2)CCCCCC1	935620323	GRCFVXMZJNEZNW-UHFFFAOYSA-N	303.366	1.912	50	20	DDGD	
CCCNC(=O)NNC(=O)c1sc([C@H]2CCOC2)nc1C	865023292	AALCTXCUVJKDEC-VIFPVBQESA-N	312.395	1.309	50	20	DDGD	
Cc1cc(C)n(CCC(=O)NNC(=O)Nc2ccccc2)n1	864238228	HDWLUVHMWFQWSX-UHFFFAOYSA-N	301.350	1.743	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H](C)CCc1ccc(F)cc1	869068221	OBEVIPYIICQYQG-TYNCELHUSA-N	322.380	1.967	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)Cc1ccc(O)cc1	760124408	DBVNJXDAULQNAB-UHFFFAOYSA-N	320.370	1.482	50	20	DDGD	
Cc1cc(CC(=O)NNc2ccccc2S(C)(=O)=O)no1	766669835	MWCQPTRZBBWPAL-UHFFFAOYSA-N	309.347	1.072	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=O)c2cccnc2)cc1F	765184718	JLDYJXPHXREABS-UHFFFAOYSA-N	316.292	1.254	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)C(F)(F)F	862317719	LUNJUVWJUDFUEZ-JPDOBTBOSA-N	300.324	1.952	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H](C)Oc2cccc(F)c2)n[nH]1	869013035	JFYYJVOZWKPUJS-SNVBAGLBSA-N	320.324	1.015	50	20	DDGD	
CC(CCc1ccccc1F)=NNC(=O)CS(C)(=O)=O	863190075	ZKKMSLHCYQEWQJ-UHFFFAOYSA-N	300.355	1.295	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@H]1C	767370716	MAEIXXXPKOKOAB-CKYFFXLPSA-N	301.412	1.285	50	20	DDGD	
C[C@@H](C(=O)NN[C@H](C)C(F)(F)F)n1nnnc1C(C)(C)C	862316126	LOYWUKWNSQYJBN-NKWVEPMBSA-N	308.308	1.103	50	20	DDGD	
O=C(NN=Cc1ccc(-n2cncn2)c(F)c1)c1cccnc1	863950528	ADLLLCRMPPYNNQ-UHFFFAOYSA-N	310.292	1.565	50	20	DDGD	
COc1ccc(NC(=O)NN=CC(C)(C)S(C)(=O)=O)cc1	1117704938	LDWCQRVPIUEPNH-UHFFFAOYSA-N	313.379	1.626	50	20	DDGD	
Cc1ccc2cccc(NC(=O)C(=O)NNc3cnccn3)c2n1	766258772	KANAPCJTIOPODT-UHFFFAOYSA-N	322.328	1.415	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCCN2CCCCC2)c1	875020049	WUKRWSBPXWVRGQ-UHFFFAOYSA-N	324.450	1.877	50	20	DDGD	
CCOc1nccc(C)c1C(=O)NNC(=O)c1ccc(C)o1	765412380	IKQOOAFFHFQNAI-UHFFFAOYSA-N	303.318	1.765	50	20	DDGD	
O=C(NCc1cccnn1)NNC(=O)c1ccc(Cl)cc1F	767883872	YBIMFSFWPVUSGK-UHFFFAOYSA-N	323.715	1.413	50	20	DDGD	
COCc1nocc1C(=O)NNc1ccccc1C(=O)OC	1117710277	RIYBKTQWBLEULT-UHFFFAOYSA-N	305.290	1.365	50	20	DDGD	
CC[C@@H](C(=O)NNC(=S)Nc1cc(C)ccc1C)N(C)C	873755110	DPSPXJNGAIAJAY-ZDUSSCGKSA-N	308.451	1.961	50	20	DDGD	
CCCn1nc(C)c(C(=O)O[C@H](C)C(=O)NNC(=O)CC)c1C	772188596	SFIMBJQLGYCDSP-LLVKDONJSA-N	324.381	1.013	50	20	DDGD	
COCC(=O)NN=Cc1ccc(OC)c(Cn2cccn2)c1	872356971	KYCOBIFGPFJNBL-UHFFFAOYSA-N	302.334	1.037	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C2=C(C)CCC2)nc1C	778425207	NMPPRCOMHZLQNL-UHFFFAOYSA-N	304.350	1.905	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1cccc(O)c1F	872388934	RNGUBYNWVNSBSM-RISCZKNCSA-N	321.352	1.235	50	20	DDGD	
Cc1nnc(NNC(=O)c2ccc(C#N)c(Cl)c2)nc1O	779368158	IQAVDNHYVQUFDD-UHFFFAOYSA-N	304.697	1.168	50	20	DDGD	
C[C@](O)(Cc1ccccc1)C(=O)NNc1cc(Cl)nc(N)n1	773865210	FRUNXDIFUQTRJT-AWEZNQCLSA-N	321.768	1.149	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@H]2CCO[C@@H](C)C2)cn1	776345457	SPLANQYSQNQBEC-UWVGGRQHSA-N	324.406	1.223	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@H]2COC3(CCCC3)O2)cc[nH]1	875455905	VDHVIDWMHDFFFI-ZDUSSCGKSA-N	306.366	1.124	50	20	DDGD	
O=C(CNC(=O)c1ccc(O)cc1)NNc1cc(Cl)ccn1	778516285	DTZDLENIGHOXKK-UHFFFAOYSA-N	320.736	1.314	50	20	DDGD	
NC(=O)c1cnc(C(=O)NNc2ccnc(F)c2)c(Cl)c1	1116517870	POVSWZOCNAURGK-UHFFFAOYSA-N	309.688	1.125	50	20	DDGD	
COc1ccc(CCNS(=O)(=O)CBr)cc1O	872581635	CKNKTOGDAIHKKV-UHFFFAOYSA-N	324.196	1.215	50	20	DDGD	
Cc1cccc(C)c1OCC(=O)NNC(=O)CC(F)(F)F	878871269	IXSLLIJFVXFXDT-UHFFFAOYSA-N	304.268	1.782	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1snc2ccccc12	879823812	JPYZQZMYFZFJAJ-IUCAKERBSA-N	320.374	1.874	50	20	DDGD	
C[C@@H]1C(=O)Nc2cc(C(=O)NNc3ccccn3)ccc2N1C	777470466	UORDGZJZJGOXHG-SNVBAGLBSA-N	311.345	1.615	50	20	DDGD	
Cn1ccc2ccc(NC(=O)C(=O)NNc3ncccn3)cc21	773721756	TWERGOWNUVPIIE-UHFFFAOYSA-N	310.317	1.050	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N[C@@H](C(C)(C)C)C(F)(F)F)n[nH]1	775988717	ZASLMAUSIVQYMT-VIFPVBQESA-N	321.303	1.639	50	20	DDGD	
O=C1CCc2cc(F)c(NC(=O)NNc3ncccn3)cc2N1	775484830	KFKOUXKAYTZMMX-UHFFFAOYSA-N	316.296	1.649	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1ccc2cc(O)ccc2c1	779824098	XXNNSYBMVBBFOZ-UHFFFAOYSA-N	315.329	1.742	50	20	DDGD	
CCN([C@@H](C)CS(=O)(=O)CC)S(=O)(=O)CCCCl	881888523	WKENZCBITFVFTI-JTQLQIEISA-N	319.876	1.090	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC(c2nc(C)c(C)[nH]2)CC1	886664440	MLZGGIIOWMBZCM-LBPRGKRZSA-N	321.425	1.152	50	20	DDGD	
CCC1(C(=O)NNC(=O)CCc2ccccc2)CCOCC1	778684113	SXVOHKGNIFXGSM-UHFFFAOYSA-N	304.390	1.973	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCC(=O)c1ccc(Cl)cn1	887146733	JKAIHHBWFGOQCP-UHFFFAOYSA-N	321.764	1.649	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cnn(C(C)C)c1C	770922693	RVVWEOIWLOVPBE-UHFFFAOYSA-N	315.468	1.244	50	20	DDGD	
Cc1nc(SCC(=O)NNC(=O)C(C)(C)C)nc(O)c1C	776864559	PFWQQHKPXXAYMD-UHFFFAOYSA-N	312.395	1.085	50	20	DDGD	
O=C(NNC(=O)C1(CCOCc2ccccc2)CC1)NC1CC1	771274835	YZBUJOMHRWCZDS-UHFFFAOYSA-N	317.389	1.866	50	20	DDGD	
Cc1nn(C(C)C)c(C)c1CC(=O)NNC(=O)C1CCOCC1	883070081	FLKJDGWFCLKCGX-UHFFFAOYSA-N	322.409	1.197	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NC[C@@H]1C=CCC1	883832556	FGYUTHXIUPMWLZ-VXGBXAGGSA-N	321.352	1.890	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCCN1CCOCC1	781066541	JBJSDSQIPDUGGR-SNVBAGLBSA-N	307.232	1.244	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ccc(C(=O)NC2CC2)cc1	782552266	NCVKQPCHHHMHOE-UHFFFAOYSA-N	316.361	1.532	50	20	DDGD	
CC(C)CN1C[C@@H](C(=O)NNc2cc(F)ccc2F)CC1=O	885146251	QICZHEGFRDIXGQ-JTQLQIEISA-N	311.332	1.912	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H](C(=O)NNC(=O)NC2CCCC2)C1(C)C	780508545	LECYZOFZBDDIHM-JQWIXIFHSA-N	309.410	1.901	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2c[nH]nc2-c2ccoc2)cc1	789915729	NICBCRBMBMPBPX-UHFFFAOYSA-N	321.296	1.616	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C[C@@H]1COc2cc(OC)ccc21	780710734	HIVPGMHEZPAMBN-SNVBAGLBSA-N	307.350	1.254	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2cc(C)ccn2)c(C)n1	783931394	OZGHKZMRBSUUPF-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H](C)C[C@@H]2CCOC2)c1	780841447	HMNFQOWPHNYESA-RYUDHWBXSA-N	321.377	1.914	50	20	DDGD	
COCc1ccccc1NC(=O)C(=O)NN(C)c1ccccc1	783433521	UMZRNLIKTIAEMA-UHFFFAOYSA-N	313.357	1.939	50	20	DDGD	
COc1cc(C=NNC(=O)NC(C)C)ccc1OCCC(=O)O	783837724	OSGZBVQNYVBAPV-UHFFFAOYSA-N	323.349	1.590	50	20	DDGD	
O=C1CCC(=NNC(=O)N2CCOCC2)c2ccccc2N1	783838323	WYQPBHRCLQLVTL-UHFFFAOYSA-N	302.334	1.165	50	20	DDGD	
COc1cc(NNC(=O)C(=O)NCC(F)F)ccc1Cl	790188061	VYJHNVNCMMHUEE-UHFFFAOYSA-N	307.684	1.173	50	20	DDGD	
C[C@H]1CCCN1CCNC(=O)NNC(=O)Cc1ccc(F)cc1	897474670	YFVXQLOLEQPFFB-LBPRGKRZSA-N	322.384	1.183	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CCc1ccn(C)n1	796821243	AYEOBHPVITYFSN-UHFFFAOYSA-N	305.290	1.875	50	20	DDGD	
CSSCCNC(=O)N1CCN(CC(C)C)C(=O)C1	790882465	ODNMHFFSRUIXHP-UHFFFAOYSA-N	305.469	1.507	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cc(C(F)(F)F)n[nH]1	799476496	LENBEUSAENNPKX-UHFFFAOYSA-N	318.284	1.540	50	20	DDGD	
Cc1cccnc1NNC(=O)Cc1nnc(O)c2ccccc12	791224334	CTBKCDPVHHRPGJ-UHFFFAOYSA-N	309.329	1.725	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ncsc1C(F)(F)F	792084907	MHIXGRKIRNNMIW-UHFFFAOYSA-N	308.285	1.516	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2c[nH]nc2-c2ccoc2)n1	790022220	WOAFHPZBQHUOJA-UHFFFAOYSA-N	319.712	1.452	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=S)Nc1ccc(Cl)nc1	795001662	CYCUTIHCIMGLHV-UHFFFAOYSA-N	322.781	1.575	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NN=C3C(=O)OC[C@H]3C)n[nH]2)cc1	794894880	LQXIZUPRZHGJBF-SNVBAGLBSA-N	312.329	1.664	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccc(F)cc2C1)C1CCCC1	1319787978	UETSUWGYRACSIT-GFCCVEGCSA-N	306.337	1.714	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNC(=S)NC(C)C)ccc1F	1317947451	PMOAVKWKQIRXEE-UHFFFAOYSA-N	312.370	1.301	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1329558088	OZVFHULYYCMHIY-MPXOCVNLSA-N	317.227	1.676	50	20	DDGD	
CCCNC(=O)CCC(=O)NNC(=O)c1ccccc1Cl	1321573292	IFMPPHISXOKXGC-UHFFFAOYSA-N	311.769	1.407	50	20	DDGD	
Nc1cnnc(NNC(=O)C2CCN(C3CC3)CC2)c1Cl	1321080188	ACRLBQCNQJKAJN-UHFFFAOYSA-N	310.789	1.030	50	20	DDGD	
COc1cc(C(=O)NNC(=S)NC(C)C)ccc1Cl	1320230727	XXFMWWJNUAOLOG-UHFFFAOYSA-N	301.799	1.866	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H](C)[C@H]2CCOC2)cc1	1325106761	FTPUBNQLTJUKRT-PWSUYJOCSA-N	307.350	1.064	50	20	DDGD	
Cc1ccc2c(c1)S[C@H](C(=O)NNC(=O)[C@@H]1CCCCO1)C2	1328012887	FDBWRMJKOSZEOX-JSGCOSHPSA-N	320.414	1.728	50	20	DDGD	
CCOC(=O)C[C@H]1CCCCC1=NNC(=O)c1cccnn1	1330907977	KTHMSDVLTRHHLG-LLVKDONJSA-N	304.350	1.706	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](C(=O)NNc2cc(F)c(F)cc2F)C1	1336406258	XQGXJEQQBKBMCF-KNVOCYPGSA-N	302.252	1.746	50	20	DDGD	
CC(=NNC(=O)C1CCOCC1)c1ccc2c(c1)NC(=O)CO2	1330904128	PBKLLMCBOXALQK-UHFFFAOYSA-N	317.345	1.284	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCC(C)(C)C2=CCOCC2)cn1	1348244393	JYDRKVGTRXNVOH-ZSOIEALJSA-N	314.389	1.816	50	20	DDGD	
COC(=O)C(=O)NN=Cc1cn(-c2ccc(Cl)cc2)nc1C	1341146494	XVBOIQYBKZTETE-UHFFFAOYSA-N	320.736	1.457	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)OC[C@]2(C)C[C@H]2Br)C1	1515797973	JMHDEOFGQAVVEB-CWSCBRNRSA-N	318.211	1.962	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2CSCCS2)cc1F	1602384143	BVGMNNFPHRQXHQ-SNVBAGLBSA-N	316.379	1.816	50	20	DDGD	
Cc1nnc(NC(=O)NNc2cccc(C(=O)O)c2F)s1	1600798580	NFVMTNWZKVJXSA-UHFFFAOYSA-N	311.298	1.832	50	20	DDGD	
COc1ccc(NNC(=O)NCC2(C(=O)O)CCCCC2)nc1	1607277364	QHIFMOMETCRELS-UHFFFAOYSA-N	322.365	1.751	50	20	DDGD	
Cc1noc(C)c1[C@H](C)C(=O)NNc1ccc(C(=O)O)cn1	1600805850	CHZWGNHQKJXURI-ZETCQYMHSA-N	304.306	1.631	50	20	DDGD	
O=C(O)c1cnc(CN2C[C@H]3[C@H](Br)[C@H]3C2)s1	1602520227	SXYVHYGONHYBGU-KPCSLPGQSA-N	303.181	1.666	50	20	DDGD	
Cn1ccc(NNC(=O)Cn2cc(C(=O)O)c3ccccc32)n1	1608128285	ZFFIZAOBOUFHPE-UHFFFAOYSA-N	313.317	1.216	50	20	DDGD	
N#C/C(=C\c1ccc(/C=C/C(=O)O)o1)S(=O)(=O)NC1CC1	1601044948	FLIWRIBOWBKOFY-DVIJZSFDSA-N	308.315	1.324	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1csc(-c2nn[nH]n2)c1	1603096889	DLUFSCMJQKTRGA-UHFFFAOYSA-N	310.339	1.098	50	20	DDGD	
C[C@@H](CNC(=O)NNc1cccc(-c2nn[nH]n2)c1)C1CC1	1603535040	GWEALTORTMEGOI-VIFPVBQESA-N	301.354	1.539	50	20	DDGD	
CO[C@@H](C(=O)O)C(=O)NNc1ccccc1OC(F)(F)F	1604435081	QYHSQDVBOWLJGL-MRVPVSSYSA-N	308.212	1.128	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2scnc2C(F)F)nc1	1602384656	UBTVIXBAQXPPCI-UHFFFAOYSA-N	314.273	1.931	50	20	DDGD	
O=C(NNC(=O)C12CC(C(=O)O)(C1)C2)c1cc2ccccc2o1	1601553775	UQTZEXMIOFARQU-UHFFFAOYSA-N	314.297	1.449	50	20	DDGD	
O=C(NN=CC(F)(F)C(F)(F)F)[C@@H]1CN2CCC[C@H]2CO1	1549903610	AQCLQSWGVKULLL-YUMQZZPRSA-N	315.242	1.149	50	20	DDGD	
O=C(NN=Cc1ccc2oncc2c1)[C@H]1CN2CCC[C@@H]2CO1	1549320733	NOGVWNBVOFPNEL-UKRRQHHQSA-N	314.345	1.141	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)c2ccccc21	1549320289	LPIKGWFPJFNFOJ-IIYDPXPESA-N	313.401	1.877	50	20	DDGD	
CC(C)(C)[C@H](C(=O)O)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	1588633360	HVVBWORGYNMHQS-JTQLQIEISA-N	323.305	1.103	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cc(C(=O)O)co1)c1ccccc1	1589574731	ICGHUWQUVUECJN-UHFFFAOYSA-N	316.313	1.717	50	20	DDGD	
COc1ccccc1NNC(=O)c1ccc(-c2nn[nH]n2)cn1	1591651945	VKWNNEDREMGRKS-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
CC(C)[C@@H]1C[C@H](NC(=O)NNC(=O)C(=O)O)c2ccccc21	1591846887	ZVOAXQKANQKSEQ-RYUDHWBXSA-N	305.334	1.286	50	20	DDGD	
COc1cc(C(=O)NNc2ncccc2C(=O)O)ccc1F	1594051169	CRQSHGPURCLFAP-UHFFFAOYSA-N	305.265	1.684	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1C[C@@H](C(=O)O)Oc2cc(F)ccc21	1596860268	IEPQURZEXUNLST-YXVBKTCISA-N	320.276	1.448	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)N1C[C@@H](C(=O)O)[C@H](C2CC2)C1	1591213702	AEZAKJLBRMRFLV-NWDGAFQWSA-N	311.382	1.206	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1ccn(C(C)C)n1	1599376203	JTKOYKCHTGYOEX-UHFFFAOYSA-N	318.333	1.928	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)c1ccc(-c2nn[nH]n2)o1	1593164174	WEKOIVXVCDVCGE-UHFFFAOYSA-N	305.685	1.265	50	20	DDGD	
C[C@H](CC(=O)O)CC(=O)NNc1nnc(-c2ccccn2)s1	1592391438	KYGIHGHOIOQBFN-QMMMGPOBSA-N	321.362	1.544	50	20	DDGD	
CCc1ccc(C(=O)NNc2ccc(C(=O)O)cn2)c(O)c1	1597500961	GSTDENMRBPFETH-UHFFFAOYSA-N	301.302	1.805	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=C1CCCc2cc(C(=O)O)ccc21	1776102089	GOAREFXCIFYSLY-UKRRQHHQSA-N	316.357	1.966	50	20	DDGD	
C[C@@H]1C(=NNC(=O)c2cnsn2)CC[C@@H](C(=O)O)C1(C)C	1776105071	NIPQGMFSRHRGEE-SFYZADRCSA-N	310.379	1.781	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=Cc2c(O)cccc2O)c1	1776096256	RPBQBLFFFIBXKR-UHFFFAOYSA-N	300.270	1.560	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)C3CC3)C2)C1	1784910566	OIBSZEMQZQEJEC-WFASDCNBSA-N	314.813	1.244	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)CNC(=O)c2ccoc2C)c1	150792959	WNFRKXUUIIIEPG-UHFFFAOYSA-N	305.309	1.909	50	20	DDGD	
CC1=C(C(=O)NNC(=O)COc2cccc(C)c2)CCCO1	158324907	BIMNJJPHOGXPKV-UHFFFAOYSA-N	304.346	1.606	50	20	DDGD	
Cc1cccc(-n2cc(C(=O)NNC(=O)OC(C)(C)C)nn2)c1	158920037	YYZSTMGFYUIIFX-UHFFFAOYSA-N	317.349	1.745	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1cc(-c2ccccc2)[nH]n1	156244108	JLEJHHGBYAXHSN-UHFFFAOYSA-N	320.316	1.500	50	20	DDGD	
Cc1cc(C(=O)NNc2cccc(F)c2)c2c(=O)[nH]n(C)c2n1	154207296	IAKDFZWNIQGFGW-UHFFFAOYSA-N	315.308	1.466	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2ccc[nH]2)cc1OC	6991279	ANNGMEPNEGLPMA-UHFFFAOYSA-N	317.345	1.426	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(F)cc2F)n1	8292354	MJFMRDVVXZABKK-UHFFFAOYSA-N	308.288	1.239	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccnc1OCC(C)C	103074812	PNDDQDVMGRGIGZ-UHFFFAOYSA-N	308.382	1.861	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)N[C@@H](C)C2CC2)cc1	56563281	YJSMHNBGFLAXGL-NSHDSACASA-N	305.378	1.757	50	20	DDGD	
CN1CCC[C@H](CNC(=O)NNC(=O)Cc2ccc(F)cc2)C1	108589687	YMMPBYHYWHSUFO-CYBMUJFWSA-N	322.384	1.040	50	20	DDGD	
COc1ccc(OC)c(C(=O)NNC(=O)NCc2ccco2)c1	65177255	YBOYKMOVXAMQPY-UHFFFAOYSA-N	319.317	1.441	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@@H]1C[C@H]1C1CC1	175874483	XICINSPRPLHUFZ-NWDGAFQWSA-N	303.362	1.301	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@]2(N(C)C)CCC[C@@H](C)C2)nn1	106334459	JILBHMKOZATJAT-WBMJQRKESA-N	320.441	1.922	50	20	DDGD	
O=C(NC[C@@H]1CCCO1)NNC(=O)c1cccc2ncccc12	65146593	ZLVORVSIGFTQSE-NSHDSACASA-N	314.345	1.358	50	20	DDGD	
CCO[C@@H](C)C(=O)N/N=c1\nc(-c2ccccn2)[nH]c(C)c1C	114891365	CSGOTBUHWAONHR-LBPRGKRZSA-N	315.377	1.445	50	20	DDGD	
COc1ccc([C@@H](CNC=C(C#N)C#N)N2CCOCC2)cc1	22920777	WFURHALMANOOSW-QGZVFWFLSA-N	312.373	1.589	50	20	DDGD	
CCN(CC)C(=O)CNC(=O)NNc1cccc([N+](=O)[O-])c1	64771206	VBNMVSOELKLIIC-UHFFFAOYSA-N	309.326	1.089	50	20	DDGD	
CCCCNC(=O)NNC(=O)C[C@H](C)NC(=O)c1ccccc1	64427364	JPJXOCTWOIYYFA-LBPRGKRZSA-N	320.393	1.326	50	20	DDGD	
CO[C@@H]1CCN(S(=O)(=O)c2ccc(CCCl)cc2)C1	300097630	OUALSELOOIPUJN-GFCCVEGCSA-N	303.811	1.877	50	20	DDGD	
CCc1ccc([C@@H](COC)NC(=O)NNC(=O)C(C)(C)C)o1	173518734	RQYVPGLELMYZRM-LLVKDONJSA-N	311.382	1.906	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1ccc2[nH]nnc2c1	171389415	KGGVUGUJQMKHIL-UHFFFAOYSA-N	322.288	1.160	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)s1	122233633	KLDDLWDBDMIATB-IJLUTSLNSA-N	323.418	1.958	50	20	DDGD	
O=C(C#Cc1ccccc1)NNc1ccc(C(F)(F)F)nn1	124033175	VWGXJVGUPIYCHQ-UHFFFAOYSA-N	306.247	1.990	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@@H]1OCCc2ccccc21	123848710	XPGSURMWLDJFMQ-MRXNPFEDSA-N	311.341	1.086	50	20	DDGD	
COCCC1(CNC(=O)NNC(=O)c2ccc(C)o2)CCC1	124082046	PPYJTGCJEDNOPQ-UHFFFAOYSA-N	309.366	1.739	50	20	DDGD	
CCC[C@H]1C[C@@H](C(=O)NNC(=O)NCc2ccco2)CCO1	183617399	NMZWGGISQGIPEB-RYUDHWBXSA-N	309.366	1.705	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H](C(=O)NNc2cc(F)c(F)c(F)c2)O1	188508097	LSTBUAZUSJKBRC-VHSXEESVSA-N	318.251	1.268	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C2CCCCC2)c1	73315339	ATYIVCISLOEGLB-UHFFFAOYSA-N	305.378	1.835	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H](C)C(=O)N(C)CC)cc1	187961296	ZWIQNQSMLLFVPN-NSHDSACASA-N	320.393	1.060	50	20	DDGD	
COc1ccnc(NNC(=O)CCc2ncc(C(C)(C)C)o2)n1	186902765	PZERGANQOBBUNH-UHFFFAOYSA-N	319.365	1.847	50	20	DDGD	
COC[C@H](NCC(=O)NNC(=O)c1ccccc1)c1ccco1	184548683	XIJOCZWYNBPENG-ZDUSSCGKSA-N	317.345	1.018	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ccc(F)cc2C)cn1	189184577	DRNREUFVLAPCSL-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)[C@H](O)c1ccccc1	73854875	ZBKNFNPQIOYHLF-MRXNPFEDSA-N	314.341	1.084	50	20	DDGD	
Cc1nn(C)c(C)c1CC(=O)NNC(=O)CCc1ccccc1	132563276	BDHARHXMYSDUSM-UHFFFAOYSA-N	314.389	1.360	50	20	DDGD	
CCOC1CC(CC(=O)NNC(=O)COc2ccc(C)cc2)C1	189961786	GSYDWCZIXNRJOR-UHFFFAOYSA-N	320.389	1.726	50	20	DDGD	
C[C@@H]1CCCN(CCNC(=O)NNC(=O)c2ccccc2F)C1	46381694	FMIGBRNPVVEGFJ-GFCCVEGCSA-N	322.384	1.502	50	20	DDGD	
NC(=O)c1cccc(NC(=O)NNc2ccccc2[N+](=O)[O-])c1	134273961	WEYOIQLSXTXGEI-UHFFFAOYSA-N	315.289	1.842	50	20	DDGD	
C[C@@H](Oc1cccnc1)C(=O)NNc1ncnc2ccsc12	132675135	XHEJPOXJLKSXDW-SECBINFHSA-N	315.358	1.997	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C[C@@H]1CCCOC1	195010090	CMDXFRDZJAXPLS-RYUDHWBXSA-N	324.352	1.557	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNC(=O)c2ccc(C)s2)C1	133712595	AUROZDNQIUXXNH-JTQLQIEISA-N	309.391	1.076	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	133604875	HPKIYEMVCZJQQT-LBPRGKRZSA-N	316.361	1.448	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](C)C(C)(C)CN(C)C)o1	85366491	VEUDWPCDOHYOMC-LLVKDONJSA-N	310.398	1.508	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1c[nH]cc1-c1ccc(F)cc1	190056718	UEKWDAGDZPAURO-UHFFFAOYSA-N	305.309	1.353	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccccc1N1CCOCC1	195478372	CXKRDHSSVWQGJY-UHFFFAOYSA-N	305.378	1.330	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2nc3ccccn3n2)c(C)c1	190619558	QXSVSSIJNGEOSK-UHFFFAOYSA-N	324.344	1.428	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@@H](C)Oc2ccccc2)n1	143584497	ITWBFLHZLYSUNB-CYBMUJFWSA-N	316.361	1.115	50	20	DDGD	
C[C@H]1CCCCN1CC(=O)NNC(=O)c1ccccc1Cl	263893986	VOWWRVLNGAWCNM-NSHDSACASA-N	309.797	1.975	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)COc2ccccc2OC)O1	268244377	AMZPNLILOAXSDL-RISCZKNCSA-N	322.361	1.179	50	20	DDGD	
CCO[C@H](CNC(=O)NNC(=O)C1CCC1)c1ccccc1	278202799	QAZVHVXJNUQBMN-CQSZACIVSA-N	305.378	1.895	50	20	DDGD	
C[C@@H]1CN(c2ccc(NC(=O)NNC(=O)C3CC3)cc2)CCO1	273196985	KJJQKMFISJVCIH-LLVKDONJSA-N	318.377	1.474	50	20	DDGD	
O=C(NNC(=O)N1CCC(c2cn[nH]c2)CC1)c1ccccc1	367662952	ZANHQPLVRIJCFB-UHFFFAOYSA-N	313.361	1.644	50	20	DDGD	
Cc1cccnc1NNC(=O)NCc1ccc2c(c1)OCCO2	276741361	YEMMGZDWRYWGNV-UHFFFAOYSA-N	314.345	1.988	50	20	DDGD	
CCn1nc(NC(=O)NNC(=O)c2ccc[nH]2)cc1C1CC1	273437313	MGGXBIASULBPOZ-UHFFFAOYSA-N	302.338	1.575	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)COc1cc(C)cc(C)c1)C(=O)OC	276689103	MNDAMQVWAYOKLO-ZDUSSCGKSA-N	322.361	1.029	50	20	DDGD	
C[C@H](NC(N)=O)C(=O)NNc1ccccc1OC(F)(F)F	275142258	OUDKLFRMGLODOP-LURJTMIESA-N	306.244	1.085	50	20	DDGD	
C[C@H](NC(=O)[C@H](Br)C(C)(C)C)c1ncn(C)n1	275657502	VCCKNNHLLCIYMS-YUMQZZPRSA-N	303.204	1.802	50	20	DDGD	
CN(C)C(=O)c1ccc(NC(=O)NNC(=O)OC(C)(C)C)cc1	274206180	UQINRAMPUKBSKK-UHFFFAOYSA-N	322.365	1.950	50	20	DDGD	
C[C@@H](CC(=O)O)NS(=O)(=O)c1ccc(CCCCl)cc1	270514197	QDORTBFQEBNHLW-JTQLQIEISA-N	319.810	2.000	50	20	DDGD	
CC(C)C[C@@H](C)NC(=O)NNc1ccc(-n2ccnc2)nn1	286570666	BVQNIROGCXNWDP-LLVKDONJSA-N	303.370	1.723	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)C1	286610744	IJZLJZHSUJFFAL-CDWSIMAYSA-N	324.352	1.556	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C\c1ccc(OCC(=O)O)cc1	281084111	CCTRSXNEEQAOHZ-QPEQYQDCSA-N	302.330	1.829	50	20	DDGD	
Cc1noc([C@H]2CCCN2C(=O)NNC(=O)c2ccccc2)n1	286859920	ZLACZZDGIMMUBO-GFCCVEGCSA-N	315.333	1.570	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC(C)(c2nc(C)no2)CC1	371650392	KSTAOGDHIKWDRV-ZRDIBKRKSA-N	304.350	1.702	50	20	DDGD	
C[C@@H]1COCC[C@H]1CNC(=O)NNC(=O)c1ccccc1F	288899761	ZUAFDDCFABKUCN-MNOVXSKESA-N	309.341	1.442	50	20	DDGD	
COC(C)(C)C[C@@H](C)NC(=O)NNC(=O)c1cccc(C)n1	280816791	ILJQIBOGGQKSFD-LLVKDONJSA-N	308.382	1.538	50	20	DDGD	
C[C@H]1CC[C@H](CC(=O)NNc2ccc(-n3ccnc3)nn2)C1	286682901	QDQKKXRPLDPDGX-RYUDHWBXSA-N	300.366	1.932	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Nc1cc(F)cc(F)c1)N(C)C	283639782	CIKQQINUBXRPLW-NSHDSACASA-N	300.309	1.458	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)CC2CC2)cc1OC	280569489	SXDMMBJKKJUSIS-UHFFFAOYSA-N	321.333	1.435	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1cnc(Cl)cn1	288286876	SLWZSTLNMLFAHC-UHFFFAOYSA-N	304.741	1.944	50	20	DDGD	
O=C(CC1CCC2(CC1)OCCO2)NNc1ncncc1F	294062979	PUPBLHMSKAZKRQ-UHFFFAOYSA-N	310.329	1.382	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)N[C@@H]2CCOC2(C)C)c1	298257493	ZJVMSWBWVSNTJK-CYBMUJFWSA-N	306.366	1.839	50	20	DDGD	
CC(C)O[C@@H](C(=O)NNC(=O)[C@H]1CCCCO1)c1ccccc1	295374772	KGOIWJLJVSEDQA-HUUCEWRRSA-N	320.389	1.869	50	20	DDGD	
CCOc1ccc(NNC(=O)COCc2ccnn2C)cc1	294320137	LJUGZIUZMNPMAX-UHFFFAOYSA-N	304.350	1.479	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc(OC[C@H]2CCCO2)cc1	294185456	OMIXDVOTVRBVCP-OAHLLOKOSA-N	318.373	1.806	50	20	DDGD	
CNC(=O)NCCC(=O)NNc1ccccc1OC(F)(F)F	294376788	DCDICBBOXQCKON-UHFFFAOYSA-N	320.271	1.347	50	20	DDGD	
O=C(NNc1ncccc1F)C(=O)Nc1cccc2cc[nH]c12	807300576	GCUPQGLUPMSTDB-UHFFFAOYSA-N	313.292	1.784	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCN1CCN2C(=O)NC(=O)[C@@H]2C1	808741318	DDHJMQNUNRFSIO-NSHDSACASA-N	313.474	1.244	50	20	DDGD	
Nc1nc(C2CC2)ncc1C(=O)NNc1ncncc1Cl	807322053	DSXQCTMRDQXVIW-UHFFFAOYSA-N	305.729	1.137	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)C(=O)c1ccccc1	803430211	BOFXWFIOVKFGKG-UHFFFAOYSA-N	307.309	1.854	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1ncc(F)cc1F)C1CCCC1	296865632	GRKBOUSRIPIRSA-LBPRGKRZSA-N	312.320	1.498	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)c1ccccc1O)OC	293759939	RZAPOCOCIHVMJO-UHFFFAOYSA-N	309.366	1.541	50	20	DDGD	
O=C(NNc1ncccc1F)c1ccnc(N2CCCCC2)n1	804212536	ZIEUGRQMWUPPSX-UHFFFAOYSA-N	316.340	1.758	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H](C)C(C)(F)F)cc1OC	814714782	BTFDXANDCLGOGX-QMMMGPOBSA-N	316.304	1.756	50	20	DDGD	
CN(N=Cc1cn(-c2ccccc2Br)nn1)C(N)=O	811646363	WSKBALRBFDXWCM-UHFFFAOYSA-N	323.154	1.374	50	20	DDGD	
Cc1ccc(C=NNC(=O)Cc2cc[nH]n2)c(-c2ccnn2C)c1	814955212	XDZXLDDKEXKNEU-UHFFFAOYSA-N	322.372	1.811	50	20	DDGD	
Cc1cc(C(F)(F)F)ncc1NC(=O)NNC(=O)CN(C)C	810267154	JWSMWXWDIMUIRR-UHFFFAOYSA-N	319.287	1.123	50	20	DDGD	
COCC(=NNC(=O)CN1CCCC1=O)c1ccc(Cl)cc1	814760719	CBCBDLADNLPFLP-UHFFFAOYSA-N	323.780	1.429	50	20	DDGD	
O=C(Cn1nnc(-c2ccccc2)n1)NN=C1CCn2cccc21	818214939	QZCDUKLLXHWUCF-UHFFFAOYSA-N	321.344	1.066	50	20	DDGD	
Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccs2)cn1	818133009	MRJATDYGLIBPFI-UHFFFAOYSA-N	319.342	1.070	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)c2ccnnc2)s1	817693854	ONSNFTMIYYQDGF-UHFFFAOYSA-N	305.363	1.269	50	20	DDGD	
O=C(NCCc1c(F)cccc1F)NNc1ncncc1F	814279218	PEHBWUVWUWOJDE-UHFFFAOYSA-N	311.267	1.763	50	20	DDGD	
Cc1c(C(=O)NNc2nc[nH]n2)cnn1-c1ccccc1F	816631718	BSFPTELHHOVEHK-UHFFFAOYSA-N	301.285	1.195	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)Cc2ccccc2C)on1	814873642	LACCHYFLYVVWBC-UHFFFAOYSA-N	301.302	1.462	50	20	DDGD	
O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C1CCCC1	726862247	HISHGBMRYAGZPK-UHFFFAOYSA-N	323.418	1.761	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(Cl)ncc1F	823476499	ZKKDOPPNOOFMLB-RNFRBKRXSA-N	301.705	1.060	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)NC2CCCCC2)cn1	726895135	APHQPOMAQXGYRU-UHFFFAOYSA-N	323.422	1.924	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1	728608409	XVEJDBNQXOSJEE-LBPRGKRZSA-N	317.389	1.623	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=S)NCCc1cccs1	726873757	ZPHULXPZASKLKJ-UHFFFAOYSA-N	321.431	1.308	50	20	DDGD	
C[C@@H]1C[C@H](CCNC(=O)/C(C#N)=C\c2cnn(C)c2)CCO1	491086781	VEKMIRMHVIUSHQ-VPHXBNOSSA-N	302.378	1.648	50	20	DDGD	
C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CC=C(C#N)CC1	824045921	PIGFKASYNFRJNI-NSHDSACASA-N	323.360	1.349	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnn2cccc(Cl)c12	823762751	JDHSIZBUWDNNDD-UHFFFAOYSA-N	309.757	1.732	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNC(=S)NCCc1cccs1	820169823	WQQPMAJZXCNLNE-CYBMUJFWSA-N	315.464	1.337	50	20	DDGD	
COc1ccc(OC(C)(C)C(=O)NNC(=O)NC(C)C)cc1	824404946	ZALFGYKWEAYUAK-UHFFFAOYSA-N	309.366	1.591	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)c2cccc(C#N)c2)o1	728948387	LNQDDWKBIICUEW-UHFFFAOYSA-N	312.329	1.646	50	20	DDGD	
Cc1cccc(N2C[C@@H](C(=O)NN(C)[C@@H](C)CO)CC2=O)c1C	823982538	AIBWJXXRLCOMJN-JSGCOSHPSA-N	319.405	1.000	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)C1(CCOCc2ccccc2)CC1	823934440	GLFMOPXVUGLWLO-AWEZNQCLSA-N	306.406	1.717	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(NC(C)=O)c(OC)c1	494362631	ISADFILCOIISJY-UHFFFAOYSA-N	310.310	1.436	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H]2CCN(c3ccccc3)C2)n1	822450851	SATNJAWFPCSPIJ-LBPRGKRZSA-N	313.361	1.455	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12	826446361	ITSVERKSAKYOLV-UKJIMTQDSA-N	310.361	1.602	50	20	DDGD	
Cc1nn(-c2ccccc2)c(C)c1CC(=O)NN(C)[C@H](C)CO	823983587	XJDOXFNAEITLHV-GFCCVEGCSA-N	316.405	1.375	50	20	DDGD	
CC[C@H](C)c1cc(-c2nc(-c3ccc(B(O)O)cc3)no2)on1	585050638	FTALSUZHUIZANT-VIFPVBQESA-N	313.122	1.585	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(N(CC)C(C)=O)nc1	824587335	UHFSYQARTGWHAV-JTQLQIEISA-N	321.381	1.653	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNC(=O)COCc1ccccc1	491742636	QONSGWZJAQUIRJ-CQSZACIVSA-N	303.362	1.336	50	20	DDGD	
O=C(CSC1CCC1)NNC(=O)c1ccc([N+](=O)[O-])cc1	829763141	FCMLWIWCBMKAJN-UHFFFAOYSA-N	309.347	1.642	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(CC(=O)OC)cc2)n(C)n1	824188516	ALUOSKBWIVHWDJ-UHFFFAOYSA-N	316.361	1.455	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cccc(C(F)(F)F)n1	825505711	RFUZWHUXGPIZJT-UHFFFAOYSA-N	315.173	1.814	50	20	DDGD	
Cc1noc([C@H](C)NC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)n1	490638170	LSRBUHQOUZJAER-DHIBQTOVSA-N	324.344	1.681	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@H]2CCc3cc(O)ccc3C2)cn1	831181262	IUKCQDNRKSRVRR-KBHCHJSJSA-N	322.368	1.706	50	20	DDGD	
COc1ccc(OCC(=O)NN=C2C[C@H](C)n3ccnc32)cc1	834922995	SZDWOEHQCCXLNW-NSHDSACASA-N	314.345	1.756	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1	495366813	IWCANWCAGNBYOK-UHFFFAOYSA-N	305.212	1.031	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NNc2ccc(F)cn2)c1	731363445	YPMNRGNJGRMBIQ-UHFFFAOYSA-N	314.280	1.063	50	20	DDGD	
O=C(NC[C@@H]1CCCCC(F)(F)C1)c1cccc(B(O)O)c1	584992008	ITRNLTVBRZUXCJ-LLVKDONJSA-N	311.137	1.312	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21)c1ccc2ccccc2c1	906277969	RNQXTLRTAUSAGI-NUEKZKHPSA-N	308.337	1.826	50	20	DDGD	
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)CCl)C1	830307422	QAMKZAABUFLECI-GHMZBOCLSA-N	310.847	1.529	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)[C@H]1CCCCO1)OCO2	834985114	GFYBMJKWACDLSF-LLVKDONJSA-N	306.318	1.443	50	20	DDGD	
C=C[C@@](C)(O)C(=O)NNc1nc2ccc(OC)cc2cc1C	831806634	LBTDUPNLFPJZCN-MRXNPFEDSA-N	301.346	1.932	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1n[nH]cc1Br	738477549	NXSASBNVGNIFOC-UHFFFAOYSA-N	318.175	1.049	50	20	DDGD	
CN(C)C(=O)NCc1cn(/C(Cl)=C/CBr)nn1	900546075	KIIDGPDJQYNXTN-FPYGCLRLSA-N	322.594	1.481	50	20	DDGD	
CC(C)(C(=O)NCB(O)O)c1csc(-c2cccs2)n1	585062895	PHYBAVLIXUWBKO-UHFFFAOYSA-N	310.209	1.277	50	20	DDGD	
CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1cn(C)nc1C	735451295	XHLBXFGVMKHEPV-UHFFFAOYSA-N	324.348	1.063	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCn1ccc(C(F)(F)F)n1	834436601	QRVPMSVIVRXXIO-CMDGGOBGSA-N	302.256	1.462	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H](CCN(C)C)C(C)(C)C	734867225	LOXLCGCJSZCLHW-GFCCVEGCSA-N	300.447	1.729	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2COc3cc(Cl)ccc3C2)cc1	585047105	GXIUSJVOCAOCLZ-OAHLLOKOSA-N	317.581	1.113	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@H](C)NCC(=O)NNC(=O)c1ccccc1	839636801	BPHVWLIEPXDPEX-YVEFUNNKSA-N	319.405	1.241	50	20	DDGD	
CC(=O)N[C@H](CCC(C)C)C(=O)NNc1ccc(C#N)cc1	830776265	DFNCKCGBLAHAMA-OAHLLOKOSA-N	302.378	1.942	50	20	DDGD	
COCCN(c1ccccc1)[C@H](C)C(=O)NNC(=O)CC(C)C	832066744	MJTQNQCXKMELTG-CQSZACIVSA-N	321.421	1.721	50	20	DDGD	
Cn1cc(CCC=NNC(=O)COc2ccccc2C#N)cn1	834927152	HYKVVOQTBCTKSM-UHFFFAOYSA-N	311.345	1.405	50	20	DDGD	
Cn1cc(/C=C(/C#N)c2cnc3ccccc3n2)c(=O)n(C)c1=O	588580578	WIWGGHKTBIWSSH-XFFZJAGNSA-N	319.324	1.091	50	20	DDGD	
C#CCCCC(=O)NN=Cc1c(C)n(C)n(-c2ccccc2)c1=O	901321287	SLMABRNNWAJUHN-UHFFFAOYSA-N	324.384	1.738	50	20	DDGD	
CCN(CC)[C@@H](CNCc1cccc(B(O)O)c1)c1ccco1	585019427	MPLGNZZWUHLFQO-INIZCTEOSA-N	316.210	1.132	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cccc(C(=O)O)c1	738116407	URQRTWKHZPTHAX-UHFFFAOYSA-N	314.297	1.468	50	20	DDGD	
C[C@@H](CN(C)C)NC(=O)NNc1cccc(Br)n1	838591935	MVRHXXQGRPEXGF-QMMMGPOBSA-N	316.203	1.420	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)[C@@H]1C[C@H]2CC[C@H]1O2	834932571	IWCGVMKZVMCOBO-PMOUVXMZSA-N	309.410	1.014	50	20	DDGD	
C[C@@H](CCc1ccc2c(c1)OCO2)NS(=O)(=O)CCl	830245873	WYUAZGACDWGGGC-VIFPVBQESA-N	305.783	1.852	50	20	DDGD	
O=C(NNc1ccncn1)N[C@H]1CCN(C2CCCCC2)C1=O	836365060	LCMCUCIQMWQFHO-LBPRGKRZSA-N	318.381	1.036	50	20	DDGD	
OB(O)c1cccc(CNC[C@H](c2ccccc2)N2CCCC2)c1	585013839	ABSVKXWHLDKRDC-LJQANCHMSA-N	324.233	1.293	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)c(C)c1OC	833235289	AIRPROHBMUALIY-ZDUSSCGKSA-N	322.361	1.342	50	20	DDGD	
CC(C)[C@@H](Cc1ccccc1)C(=O)Nc1cccc(B(O)O)c1	584913540	YVLAWAYKGNGCES-QGZVFWFLSA-N	311.190	1.820	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CN3CCCN2CC3)c(Cl)c1	836938019	VKYPBAWSJANHCY-CQSZACIVSA-N	308.813	1.481	50	20	DDGD	
Cc1ccc(SCCC(=O)N2CC[C@@H](B(O)O)C2)cc1C	585073980	HBXBZKSOKIYFMU-CYBMUJFWSA-N	307.224	1.861	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n(C(C)(C)C)n1	831330466	DLHWUQFEKCMOLB-GHMZBOCLSA-N	323.397	1.524	50	20	DDGD	
COc1ccc(OC)c(C(C)=NNC(=O)CN2CCCC2=O)c1	916359330	VNXJMJVKBDOWCV-UHFFFAOYSA-N	319.361	1.166	50	20	DDGD	
CCn1cc(C=NNC(=O)CSc2nc(C)cc(C)n2)cn1	732528059	QABHMCXWWSKFCT-UHFFFAOYSA-N	318.406	1.552	50	20	DDGD	
CC[C@@](C)(CNC(=O)NNC(=O)c1ccc(C#N)cc1)OC	836266455	XIRGRNLFNAFWBL-HNNXBMFYSA-N	304.350	1.317	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1[nH]c(-c2ccccc2)nc1C	833384890	OVYDTEIIUDOACP-UHFFFAOYSA-N	315.333	1.493	50	20	DDGD	
O=C(O)CCCN1CCC(=NNC(=O)Cc2ccncc2)CC1	833226796	IKIPOYQMUWBZNU-UHFFFAOYSA-N	318.377	1.057	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2ccccc2C(=O)O)c1	833700714	QDLRNDUAEBKOGD-UHFFFAOYSA-N	313.313	1.501	50	20	DDGD	
COCCOc1ncccc1C(=O)NNC(=O)CC1CCCC1	749943358	ZAAKPYOCCZYZKE-UHFFFAOYSA-N	321.377	1.448	50	20	DDGD	
COCCCCC(=O)NNC(=O)c1cccc2cccnc12	747422475	KIQZWKWAXLIBNA-UHFFFAOYSA-N	301.346	1.813	50	20	DDGD	
O=C(NNc1ccc(Cl)c(F)c1)[C@H]1CCCS1(=O)=O	847603040	PRZHQRMNDOYAQV-SNVBAGLBSA-N	306.746	1.499	50	20	DDGD	
C[C@@H](CCCCN)NC(=O)NNC(=O)c1cccc(Cl)c1	841995067	LEUNLJFAYAXRRP-JTQLQIEISA-N	312.801	1.802	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C2[C@@H]3CCC[C@@H]23)c1	748839196	VZIQKMSYBSFBHE-CHWSQXEVSA-N	304.346	1.511	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H](C)CN1C[C@@H](C)C[C@@H](C)C1	919924679	SETXOVGTICRWOV-MJBXVCDLSA-N	312.458	1.729	50	20	DDGD	
COCCOc1ccc(C=NNC(=O)[C@H]2CCO[C@H]2C)cc1	842552967	DATGJKYVKXWGQZ-WFASDCNBSA-N	306.362	1.587	50	20	DDGD	
CN1CCNC[C@@H]1C(=O)NNc1ccccc1C(F)(F)F	912448327	OWZVTHVOOAUXFR-LLVKDONJSA-N	302.300	1.052	50	20	DDGD	
COCCCNC(=O)NNC(=O)CC1C2CC3CC(C2)CC1C3	845297893	FLVDGEAIFCPEOB-UHFFFAOYSA-N	323.437	1.816	50	20	DDGD	
C[C@@H]1CCN[C@@H](C(=O)NNc2ncc(Br)cn2)C1	848436024	CXGBAUAZVGIWBN-VXNVDRBHSA-N	314.187	1.070	50	20	DDGD	
CC(=O)Nc1cccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1C	843656395	MTSOGGZJSSTHGQ-MFKMUULPSA-N	319.361	1.139	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCCCC(=O)c1ccc(F)cc1	910158396	DTJZOUCHIKZEGR-GFCCVEGCSA-N	310.369	1.913	50	20	DDGD	
CS[C@@H]1CC[C@H](NC(=O)NNC(=O)c2cccc(C#N)c2)C1	743586961	AMASXKRRZUQNCG-QWHCGFSZSA-N	318.402	1.786	50	20	DDGD	
O=C(NCC1CNC1)NNC(=O)c1c(Cl)cccc1Cl	841965281	TVXUMPHEBKSXFR-UHFFFAOYSA-N	317.176	1.157	50	20	DDGD	
COCCC1(C(=O)NNc2ncc(Br)cn2)CC1	848321569	XKHXLFCBXUQIMH-UHFFFAOYSA-N	315.171	1.499	50	20	DDGD	
COCCn1cc(C=NNC(=O)COc2ccccc2F)cn1	743424264	HRBPPSCDFWCMQS-UHFFFAOYSA-N	320.324	1.198	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1ccc(C)c(C)c1O	748254345	ZPLFUXTUHGPHKW-ZDUSSCGKSA-N	308.378	1.901	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNc2nccc3sccc23)C1	746294695	ZOYCOFHIWHMUNR-JTQLQIEISA-N	318.402	1.998	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc2ccccc2c(O)n1	843973915	JJEOQEQJZITFPV-MWLCHTKSSA-N	315.329	1.126	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC[C@H](N)C(C)C)c1ccccc1	841944596	LXSPPCRFOSOHGC-KGLIPLIRSA-N	306.410	1.494	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1ccc([N+](=O)[O-])cc1	748253659	QEVGDGFACSDOMY-NSHDSACASA-N	309.322	1.487	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)NCCc1cccs1)n1ccnc1	845297595	BKADXLGMXJNXNM-LLVKDONJSA-N	321.406	1.469	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc(Cl)c1F	843653639	NYBNKPJUTKKONI-SFYZADRCSA-N	300.717	1.665	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)C2)cc1OC	843753415	HVULEHOWYJRHDF-JTQLQIEISA-N	320.345	1.224	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc([N+](=O)[O-])c(O)c1	740763449	ILEVQZXUQSUNMQ-UHFFFAOYSA-N	322.321	1.055	50	20	DDGD	
COc1cc(F)c(C=NNC(=O)[C@H]2CCO[C@H]2C)cc1OC	844602950	ZMILSZKEAJDWTG-ONGXEEELSA-N	310.325	1.718	50	20	DDGD	
Cc1ccc(NCCNC(=O)NNC(=O)CC(C)(C)C)nc1	927465939	PLCXOQRYSCSUSL-UHFFFAOYSA-N	307.398	1.569	50	20	DDGD	
CCCNC(=O)NNC(=O)C1=Cc2cc(OC)ccc2OC1	755240465	YRUWTQXCLWYXCD-UHFFFAOYSA-N	305.334	1.211	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(C(=O)NC2CC2)ccc1C	755830767	POETXFMLOLDANY-UHFFFAOYSA-N	304.350	1.450	50	20	DDGD	
CC(C)OCCNC(=O)NNc1ccccc1S(C)(=O)=O	754295516	FQRJZPBIXQEZAX-UHFFFAOYSA-N	315.395	1.141	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@H]1CCc2cc(F)ccc21	854287976	QYPMUBHCKZAFBW-ZDUSSCGKSA-N	301.321	1.655	50	20	DDGD	
CC/C=C\CNC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	852370102	PJPDTTKJIJTOBJ-SREVYHEPSA-N	312.414	1.226	50	20	DDGD	
CCCn1nccc1C(=O)NNc1ccc(C(=O)OC)c(F)c1	854882125	BJUKKCNYYPRQCZ-UHFFFAOYSA-N	320.324	1.976	50	20	DDGD	
C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NNc1ccc(Cl)cn1	852200965	QDWGKMJXIMNHIC-CABZTGNLSA-N	309.801	1.844	50	20	DDGD	
C=C(CC)CNC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	852374441	MNAIHNRYHVBZIC-UHFFFAOYSA-N	312.414	1.226	50	20	DDGD	
O=C(NN=CC1CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1	755542891	NSBSWYHHQVGLLC-UHFFFAOYSA-N	321.402	1.597	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1cc(F)cnc1O	857257983	IDVPBKOIHXQQGC-UHFFFAOYSA-N	303.297	1.741	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)C[C@@H]1Br	857391975	WSUFBTYMHPEOQL-MPXOCVNLSA-N	317.227	1.568	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Nc1cnn(CC(F)F)c1	756709308	KRDOOULFCURMEN-UHFFFAOYSA-N	323.303	1.923	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc(C(C)C)no1	854282281	SYKBWSHVDNOGHD-UHFFFAOYSA-N	314.411	1.286	50	20	DDGD	
CCOCCOCCNC(=O)NNc1cccc(F)c1F	927531534	ORVLUVLWKLOWQC-UHFFFAOYSA-N	303.309	1.644	50	20	DDGD	
Cc1ccc(C)c(C(=O)CCC(=O)NNC(=O)c2cc[nH]n2)c1	855362788	VBCXTCQJUIELFQ-UHFFFAOYSA-N	314.345	1.451	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)[C@H](C)Oc1ccccc1F)C1CC1	858144440	QJZKJJLWZSHETL-HZMBPMFUSA-N	324.352	1.556	50	20	DDGD	
CCN1C[C@H](C(=O)NC[C@]2(C)C[C@@H]2Br)CC1=O	857398981	PUOMCZKNCRBKNO-PTRXPTGYSA-N	303.200	1.145	50	20	DDGD	
CC[C@H]1CN([C@@H](CC)C(=O)NNc2cccc(C#N)c2)CCO1	855621729	NMBLTJQTJPDHLA-HOTGVXAUSA-N	316.405	1.891	50	20	DDGD	
COc1nc(N(C)C)sc1C=NNC(=O)c1ccc(C)o1	752174189	FUIRMWCFWKVXNA-UHFFFAOYSA-N	308.363	1.883	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1cnc([C@@H]2CCCO2)s1	755730603	MGCFFYIKXZGUAC-NSHDSACASA-N	305.363	1.790	50	20	DDGD	
CCS(=O)(=O)N[C@@H](C)C(=O)NNc1c(C)cccc1Cl	854843851	ZURXTRVTQRIILF-VIFPVBQESA-N	319.814	1.419	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@@H]1Cc2cccc(O)c2C1	759452465	BJIXQIAEKGVIRN-MRVPVSSYSA-N	317.267	1.142	50	20	DDGD	
COc1cc(C)c(C=NNC(=O)N2CCOCC2)cc1OC	751526563	OGEBPARMCQOYLA-UHFFFAOYSA-N	307.350	1.388	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)Cc2ccc(F)cc2)[C@@H]1C	858150921	NNTXZWBSOXMYPF-JNIYBQFBSA-N	308.353	1.575	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Cc1c(C)noc1Cl	750865884	NLFBGBAVGMAVSH-UHFFFAOYSA-N	307.737	1.949	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNC(=O)CCCCCN)cc1	857766747	RVQURVOFZUYALY-UHFFFAOYSA-N	306.366	1.561	50	20	DDGD	
COc1cccc(F)c1C(=O)NNC(=S)N[C@H](C)C1CC1	855100390	ARZWSCPGUSUCNN-MRVPVSSYSA-N	311.382	1.742	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)c2c[nH]nc2C)C[C@@H]1C	758109752	KZPSIISUHLBSIS-CABZTGNLSA-N	306.366	1.803	50	20	DDGD	
CCc1cc(CNC(=O)NC[C@]2(C)C[C@@H]2Br)n[nH]1	856835702	VNZRRRLOQRKNTB-JQWIXIFHSA-N	315.215	1.945	50	20	DDGD	
Cc1ccc(Cl)cc1NC(=O)NNC(=O)c1cnccn1	755409594	AKJKERIITSYSGJ-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
CC1(C)[C@H](NC(=O)NNc2ncc(Cl)cn2)[C@H]2CCO[C@H]21	856870538	TYKYJDGCKMPZFI-OPRDCNLKSA-N	311.773	1.570	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2CCCCC23CCCC3)N1	858479024	HICKGGMHRAZFCX-VXGBXAGGSA-N	322.409	1.098	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C=NNC(=O)[C@@H]1CCOC1	853339132	XLCHIGHPBVEYAI-OUCADQQQSA-N	306.366	1.026	50	20	DDGD	
COC(=O)CCCNC(=O)NC[C@]1(C)C[C@@H]1Br	856830497	OJQKLRZFVLBMGG-KWQFWETISA-N	307.188	1.412	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)C1(S(C)(=O)=O)CCC1	855369995	JPMBJSBYOUYYSR-UHFFFAOYSA-N	300.355	1.545	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)NCC2CC=CC2)c1	858718250	NIRSKSURZZZNPO-UHFFFAOYSA-N	319.361	1.614	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(OC2CCC2)c(F)c1	756865617	SUSKBJHGHVIDFN-UHFFFAOYSA-N	311.313	1.556	50	20	DDGD	
CC(=NNC(=O)CS(C)(=O)=O)c1ccc(Cl)cc1Cl	863189068	XLIGYKSSTIODOC-UHFFFAOYSA-N	323.201	1.878	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@H]2C=NNC(=O)c2cn[nH]c2)cn1	863152570	VYTDURYCUHBEKN-GXFFZTMASA-N	302.338	1.027	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(C(=O)OC)c(F)c1	930403195	XLUPHRICBNJDQD-UHFFFAOYSA-N	321.308	1.569	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)c1ccc([N+](=O)[O-])o1	766674917	CNTIYIQKUBRSDX-UHFFFAOYSA-N	305.275	1.949	50	20	DDGD	
CC(=NNC(=O)CS(C)(=O)=O)C(C)(C)c1ccc(F)cc1	863189339	JBJVSGXEIWVSDT-UHFFFAOYSA-N	314.382	1.640	50	20	DDGD	
C[C@@H](NNC(=O)CCCNC(=O)c1ccsc1)C(F)(F)F	862305016	HXWHZLVVRRMQMV-MRVPVSSYSA-N	323.340	1.830	50	20	DDGD	
COc1cc(C(=O)NN=C2CCC(O)CC2)cc(OC)c1OC	761742585	ARQRPMFGHDPHMJ-UHFFFAOYSA-N	322.361	1.733	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)[C@H]1CCC(=O)N1)c1cccc(Cl)c1	862456761	SOBPPCKXQLUFJO-ZVTBTPLYSA-N	321.764	1.169	50	20	DDGD	
C[C@H](NNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)C(F)(F)F	862307485	YCHOMBNOLMBSDD-IUCAKERBSA-N	307.316	1.349	50	20	DDGD	
Cc1ccc(NNC(=O)c2cnn(CCN(C)C)c2)cc1F	869297472	QJEIXWVZYJVNEP-UHFFFAOYSA-N	305.357	1.649	50	20	DDGD	
C[C@H](C(=O)NC[C@]1(C)C[C@H]1Br)[C@H]1CCC(=O)N1	862259104	YKNPJHNSUFWMDZ-HAYRHPOISA-N	303.200	1.191	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)C(=O)NNc2cnccn2)c1	766260977	ZGXLWEQHRPGBPA-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
CSc1cc(C(=O)NNc2ccc(C(N)=O)nn2)ccc1F	767147648	CINIMEDCYYCMKC-UHFFFAOYSA-N	321.337	1.193	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H](C3CC3)C2)c1	764485745	OARSFNDJMDFJMA-OAHLLOKOSA-N	301.390	1.488	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@H](OC)c1cccc(OC)c1	862370930	VZOCARZVZZFRGR-HVCHUGMYSA-N	304.346	1.943	50	20	DDGD	
Cn1cc(C=NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cn1	764809710	KGZDQMNFQYEJAF-UHFFFAOYSA-N	312.308	1.713	50	20	DDGD	
C[C@@H]1CCC[C@@H](C=NNC(=O)Cc2cc(O)nc(S)n2)C1	768353878	BCULUPNMFSRJJM-NXEZZACHSA-N	308.407	1.942	50	20	DDGD	
C[C@]1(CNC(=O)c2csc(CCN)n2)C[C@@H]1Br	1118753702	ADWLFSLISLVGLP-GZMMTYOYSA-N	318.240	1.548	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc(N2CCOCC2)cc1)C(F)(F)F	862309703	TZEUJHDKFHICGW-SNVBAGLBSA-N	317.311	1.708	50	20	DDGD	
O=C(NNC(=O)c1cnn(CC2CC2)c1)OCC(F)(F)F	869282032	VECRBVNNRSWPGS-UHFFFAOYSA-N	306.244	1.226	50	20	DDGD	
CCO[C@@H](CC(=O)NNC(=S)Nc1ccccn1)C(C)C	768578052	LMUBOMZJLMRKJT-NSHDSACASA-N	310.423	1.850	50	20	DDGD	
CCO[C@H]1C[C@H](NC(=O)NN(C)C(=O)OC)C1(CC)CC	875349310	XUYBQAGBOKXEGZ-QWRGUYRKSA-N	301.387	1.883	50	20	DDGD	
C[C@@]1(CNC(=O)c2cnc(C(=O)O)cn2)C[C@@H]1Br	1118753923	DZPXPJCFFJVDQN-KWQFWETISA-N	314.139	1.078	50	20	DDGD	
CCOc1cccc([C@@H]2C[C@H]2NC(=O)NN(C)C(=O)OC)c1	875552964	CGPFTYOJIOAGOL-QWHCGFSZSA-N	307.350	1.854	50	20	DDGD	
COC(=O)c1cnc(C(=O)OC[C@H](C)CBr)cn1	770414550	IKEKBEFNBFAXQS-SSDOTTSWSA-N	317.139	1.451	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC(C(C)(C)O)CC1	879627331	BAZFCUIYDQBVOA-GFCCVEGCSA-N	313.442	1.051	50	20	DDGD	
CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)NNC(=O)C1CCNCC1)C2	1117965910	JOJCQEBNGZXGBR-AHIWAGSCSA-N	322.453	1.531	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2nc(-c3ccccc3)c[nH]2)n[nH]1	1116025548	MREWRWGLNVQRBG-UHFFFAOYSA-N	308.345	1.801	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@@H]2COC3(CCCCC3)O2)cc[nH]1	875462533	PAZINGIWWPIINU-CQSZACIVSA-N	320.393	1.514	50	20	DDGD	
C=C[C@@H](O)C(=O)NNC(=S)Nc1ccc(CCCC)cc1	873781821	CPSVUXJFTNXGCN-CYBMUJFWSA-N	307.419	1.894	50	20	DDGD	
Cc1nc2ccc(S(=O)(=O)NNC(=O)c3ccc[nH]3)cc2o1	1116748825	XXJWEIRQZMMSCC-UHFFFAOYSA-N	320.330	1.088	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1sc(Cl)nc1C	772186690	OXHXRRWPUNDDCT-LURJTMIESA-N	319.770	1.208	50	20	DDGD	
CCOC(=O)c1cnc(C(=O)NNc2ncccn2)c(Cl)c1	772707773	GNCRMFHFPGCLPF-UHFFFAOYSA-N	321.724	1.459	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C1(F)CCOCC1	877917742	DGBOIVMUOBODNC-UHFFFAOYSA-N	324.352	1.294	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)c1nc2ccccc2s1	874913565	OLXNOLIFYLRHAS-VIFPVBQESA-N	307.375	1.730	50	20	DDGD	
Cn1ncc(C2CC2)c1C=NNC(=O)c1ccc(C(=O)O)cc1	872411892	YURYRFCRWDDOEO-UHFFFAOYSA-N	312.329	1.760	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1Cc2ccccc21	772159191	IRTZMCHRTFVJAK-FZMZJTMJSA-N	318.373	1.452	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@H]2CCO[C@H]2C)cc1	770856752	HBEIWASPTKOOPG-GWCFXTLKSA-N	323.418	1.828	50	20	DDGD	
O=C(NNc1ncccn1)c1ccc2nc(C(F)(F)F)cn2c1	771135990	RVRZUQYUBDMFBT-UHFFFAOYSA-N	322.250	1.900	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)N[C@@H]1C[C@H]1C1CCCCC1	883458434	JKUDKXDMPAZWAN-WCQYABFASA-N	303.366	1.389	50	20	DDGD	
COCCCN(C)c1nnnn1C[C@]1(C)C[C@@H]1Br	1120324274	IHFUWMCPUZIJAV-ONGXEEELSA-N	318.219	1.319	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCSCc1ccccn1	887141648	CDHXXLDHEPTLLP-UHFFFAOYSA-N	305.403	1.656	50	20	DDGD	
CC[C@H](Nc1ccccc1)C(=O)NNC(=O)C1CCOCC1	883062999	ZODCRGVKLFKQBM-AWEZNQCLSA-N	305.378	1.451	50	20	DDGD	
Cc1nn(C)c(C)c1OCC(=O)OC[C@H](C)CBr	770396308	JYLXBXBWENIAIS-MRVPVSSYSA-N	319.199	1.990	50	20	DDGD	
CC[C@@H]1C(=O)NCCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	886505635	JTJBNSXQHOMRHF-VSKPTYQZSA-N	313.357	1.426	50	20	DDGD	
COc1ccc(Cl)cc1S(=O)(=O)NNC(=O)C(C)C	782462139	JUWKRPPPHUZNKI-UHFFFAOYSA-N	306.771	1.314	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@@H]1CCCC12OCCO2	889506335	LZDPFGUAQDUZHD-MRVPVSSYSA-N	313.745	1.052	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=S)NC2(C)CC2)cc1	789206343	IIKQYCLXUFNGHC-UHFFFAOYSA-N	307.419	1.676	50	20	DDGD	
C[C@@H]1COCC1=NNC(=O)C(=O)NCc1ccc(Cl)cc1	884444678	RRUPGQYKRRIGCV-SECBINFHSA-N	309.753	1.095	50	20	DDGD	
O=C(NN=C1CCOC[C@H]1CN1CCCCC1)c1ccncc1	787144647	KLSMMQSXKZYTIX-OAHLLOKOSA-N	316.405	1.690	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(NC(C)=O)ccc1C	887147068	WLABRKUJPAZRHS-UHFFFAOYSA-N	301.346	1.518	50	20	DDGD	
CCS[C@H]1CCC[C@@H](NC(=O)NNC(=O)c2cccnn2)C1	883493494	MRTQEXYYAXAZBM-MNOVXSKESA-N	323.422	1.485	50	20	DDGD	
CC1(C)CCC[C@@H](NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)C1	785911159	YIQRELGCPPUELP-BXUZGUMPSA-N	317.455	1.336	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNC(=O)C(C)C)cc1OC	781139970	VMCVNSFGQFPLAY-LLVKDONJSA-N	308.378	1.686	50	20	DDGD	
O=S(=O)(CCCCl)N1C[C@H](O)C[C@@H]1c1ccccc1	882258426	QQUOEWKCSUDATC-CHWSQXEVSA-N	303.811	1.753	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)C2CCOCC2)c(Cl)c1	883065981	FCJVRFRXIYUDIZ-UHFFFAOYSA-N	310.781	1.765	50	20	DDGD	
CSCc1cccnc1C(=O)NNC(=O)C1CCOCC1	883069952	BNFREPVUULAEFT-UHFFFAOYSA-N	309.391	1.132	50	20	DDGD	
CN(C)C(=O)NNC(=S)Nc1ccc(Br)cc1	783730536	LUSZKRXDNZEVRK-UHFFFAOYSA-N	317.212	1.922	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1cc([N+](=O)[O-])c[nH]1	789706263	PMPDWUSICNIUJX-UHFFFAOYSA-N	313.273	1.521	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=Cc1cnc(N)nc1	781582378	ROSNSRQIGDYDKP-UHFFFAOYSA-N	323.360	1.121	50	20	DDGD	
Cn1nnc(CNC(=O)NNc2cc(Cl)cc(Cl)c2)n1	787430713	MSSYBUIXTWBFPR-UHFFFAOYSA-N	316.152	1.343	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC[C@H]2CCCCN21)c1ccccc1F	899937053	MQHVWPKATUVOMS-BXUZGUMPSA-N	305.353	1.604	50	20	DDGD	
CSSCCNC(=O)N1CC[C@H](NC(=O)NC2CC2)C1	790880132	HSKVZNPAQAJAAX-JTQLQIEISA-N	318.468	1.243	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2ccc(F)cc2Cl)C(=O)O1	896383916	WQPDOZJEKUTEER-WKEGUHRASA-N	301.705	1.809	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1occ2c1CCC2	794776026	PZTFILLBEMVOTA-UHFFFAOYSA-N	318.304	1.747	50	20	DDGD	
C[C@@H]1COCCC1=NNC(=O)COc1ccccc1[N+](=O)[O-]	794476668	PQZALZOTFARXHF-SNVBAGLBSA-N	307.306	1.502	50	20	DDGD	
Cc1nn(Cc2ccccc2)c(N)c1C(=O)NNc1ncccn1	795047153	OCGVTJGTAUSYNX-UHFFFAOYSA-N	323.360	1.369	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)c1c([N+](=O)[O-])cnn1C	799756843	KCDBWJBZKJAIJO-UHFFFAOYSA-N	303.322	1.956	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2cncc(F)c2)cc1	799234100	JEAAZPIXSGDHIU-UHFFFAOYSA-N	318.308	1.761	50	20	DDGD	
C=CCC(C)(C)C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	796462798	IAJZPMXAORBNRK-UHFFFAOYSA-N	318.373	1.902	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)C1CCC1)NC(=O)OC(C)(C)C	792262376	VUOUZQPFNFFTHA-SECBINFHSA-N	314.386	1.030	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H](O)Cc2ccccc2)cc1	792809936	RVGVPMSAUVVFJX-INIZCTEOSA-N	312.369	1.614	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ncccc1Br	793208297	WHESZFJPZZCQFF-UHFFFAOYSA-N	313.155	1.198	50	20	DDGD	
O=C(NNC(=O)[C@H]1Cc2ccc(F)cc21)c1ccccc1O	794894674	IXKUASDJTJYVSQ-ZDUSSCGKSA-N	300.289	1.632	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2cccc(Cl)n2)c1	793039455	MNVCGDRQGOHGEN-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNc1ccccc1S(C)(=O)=O	793680668	GCTKFOJQKBALHH-GXFFZTMASA-N	314.407	1.594	50	20	DDGD	
COc1cc(C#N)ccc1NC(=O)NNc1nc2ccccn2n1	792378143	OKEMZDRCBXBOPC-UHFFFAOYSA-N	323.316	1.758	50	20	DDGD	
CN1CCN(C(=O)NN=C/C=C/c2ccccc2[N+](=O)[O-])CC1	790173844	JDHDHSWCWQKXCH-JRKOTLHCSA-N	317.349	1.551	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1ccc(O)cc1O	1319950086	RANUKMABZMUEBF-UHFFFAOYSA-N	300.314	1.492	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NCCc2cn[nH]c2)nn1	1323986146	OXNCUAIAHNIXFA-UHFFFAOYSA-N	303.370	1.366	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CCOC3(CCC3)C2)c1	1328731464	LJWMGQQRXCJJIC-UHFFFAOYSA-N	309.391	1.666	50	20	DDGD	
COCC(=O)NCCC(=O)NNc1nc2ccccc2cc1C	1320108794	HAHQMFUYBSACFX-UHFFFAOYSA-N	316.361	1.139	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1	1325121742	SKITWTSRWGVERV-VXGBXAGGSA-N	301.456	1.731	50	20	DDGD	
Cc1c(C(=O)NNc2ccccc2)cnn1-c1ccc(O)nn1	1253411624	MFGFLMPVACTMKP-UHFFFAOYSA-N	310.317	1.433	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(N2CCCC2)cc1	1251279994	IDBTVASOFNITIB-UHFFFAOYSA-N	304.394	1.956	50	20	DDGD	
CC(C)(C=NNC(=O)CNc1ccccc1F)S(C)(=O)=O	1335769083	XJAPWOFJDHADOB-UHFFFAOYSA-N	315.370	1.163	50	20	DDGD	
O=C(NNc1ccc(Br)nc1)c1ccc(O)nn1	1251804240	PRUPSVJRKXKZJW-UHFFFAOYSA-N	310.111	1.097	50	20	DDGD	
CSCCONC(=O)NNC(=O)c1ccccc1Cl	1339617913	BSFMBRHHRBABRY-UHFFFAOYSA-N	303.771	1.579	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(C)n(CC(F)(F)F)n1	1336817407	RAXWFQJWRVLOOS-UHFFFAOYSA-N	309.292	1.369	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)N[C@@H]1C[C@@H]2CC[C@H]1O2	1263793552	XZAQPCADWYPCEY-FXBDTBDDSA-N	305.363	1.637	50	20	DDGD	
C[C@@H]1Nc2ccnn2[C@@H](C)[C@H]1CCC(=O)NNC(=O)C1CC1	1346073849	YSGRRDCVZBUULS-NHCYSSNCSA-N	305.382	1.212	50	20	DDGD	
CC(C)c1ncc(C(=O)NNc2nc(O)c3ccccc3n2)[nH]1	1340276590	OBBDIWMSMOEPRH-UHFFFAOYSA-N	312.333	1.939	50	20	DDGD	
Cc1c(C(F)(F)F)n[nH]c1C(=O)NNC(=S)NC(C)(C)C	1262578445	QCZOLGVPNDQBPR-UHFFFAOYSA-N	323.344	1.644	50	20	DDGD	
Cc1cc(=NNC(=O)NCCCc2ccc(O)cc2)cc[nH]1	1261962163	NDINLSWIMXZOSW-UHFFFAOYSA-N	300.362	1.776	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)C1CCNCC1)c1ccc(C)cc1	1348543166	NMTMQFBTJGDBKN-HNNXBMFYSA-N	318.421	1.776	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1cccc(F)c1C(=O)O	1606495095	UNAINKRSDKMFQZ-UHFFFAOYSA-N	313.285	1.103	50	20	DDGD	
CC(C)O[C@H]1C[C@@H](NC(=O)NNc2ccc(CC(=O)O)cc2)C1	1603929853	HJFYKBLQHVQPRP-OKILXGFUSA-N	321.377	1.896	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)NCCC(F)F	1521452650	NCHDVJGGIYTROM-UHFFFAOYSA-N	317.292	1.060	50	20	DDGD	
C#C[C@H](NC(=O)NNc1cccc(C(=O)O)c1)[C@H]1CCCO1	1602673719	JMBXTJKYFWCONH-QWHCGFSZSA-N	303.318	1.192	50	20	DDGD	
O=C(O)Cc1ccc(NC(=O)NNC(=O)[C@H]2CCCS2)cc1	1602124982	KSNPKIMBPAGAMS-LLVKDONJSA-N	323.374	1.362	50	20	DDGD	
O=C(O)[C@]1(C(=O)NNc2ncncc2F)C[C@@H]1c1ccccc1	1601703133	VOJPNFGEYYWXOQ-MEBBXXQBSA-N	316.292	1.317	50	20	DDGD	
Cc1ccc(NC(=O)NNc2nnc(C)n2C)cc1C(=O)O	1600455565	SJCOKJQLTRRMRE-UHFFFAOYSA-N	304.310	1.279	50	20	DDGD	
CC1CCN(C(=O)C(=O)NNc2ccccc2C(=O)O)CC1	1609856482	IWGWEMXJUDWNBQ-UHFFFAOYSA-N	305.334	1.086	50	20	DDGD	
O=C(NN=C1CC[C@@H](C(=O)O)C1)[C@H]1OCC[C@H]1c1ccccc1	1601792133	GIQMLTXFSHITED-SNPRPXQTSA-N	316.357	1.916	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1609079180	BPZXKDKHVHEYAI-UHFFFAOYSA-N	304.310	1.036	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@@H]2CCC[C@@H](C(=O)O)C2)c1	1610625887	HRKJIDCABWBZCW-NXEZZACHSA-N	322.752	1.941	50	20	DDGD	
CC(C)Cc1ccccc1C(=O)NNC(=O)[C@H]1CCCNC1	1575654794	DDMDXWAKLCJIES-AWEZNQCLSA-N	303.406	1.646	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2(F)CCNCC2)c1C	1578878132	PUMMGWVGMQBLIE-UHFFFAOYSA-N	309.341	1.316	50	20	DDGD	
CC(=NNC(=O)C(=O)O)[C@H]1CCCCN1C(=O)OC(C)(C)C	1589011173	RTXNJKUWXJWDPH-SNVBAGLBSA-N	313.354	1.353	50	20	DDGD	
COc1ccc(CC(=O)NNc2ccccc2C(=O)O)cc1O	1599548714	NSCFIPCRUNKTPI-UHFFFAOYSA-N	316.313	1.785	50	20	DDGD	
C[C@H]1C(=NNC(=O)c2ccc(CN(C)C)o2)CC[C@H]1CC(=O)O	1594120422	IUPZRZQQNSWIMH-MNOVXSKESA-N	321.377	1.948	50	20	DDGD	
COc1cccc([C@H](NNC(=O)[C@H]2CCCCO2)C(=O)O)c1	1599661219	ZVICBZUAQHGFQM-OLZOCXBDSA-N	308.334	1.011	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc(-c2nn[nH]n2)cc1F	1590649261	QLNUSMDEZVTAGH-WDZFZDKYSA-N	321.337	1.695	50	20	DDGD	
COCc1ccccc1/C=C(\C)C=NNC(=O)NCC(=O)O	1599297641	MJYLSSPOVCKXQH-BZFVJYCRSA-N	305.334	1.606	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccc(-c3nn[nH]n3)cc2F)nc1	1592696943	IQFYIZMFPCJNLX-UHFFFAOYSA-N	324.279	1.029	50	20	DDGD	
N#C/C(=C\c1cccc(-c2nn[nH]n2)c1)C(=O)NCc1ccco1	1592662514	PSQOAPOEVXTPQL-MDWZMJQESA-N	320.312	1.683	50	20	DDGD	
Cn1ncc(C(=O)O)c1C=NNC(=O)Nc1ccc(Cl)cc1	1776077819	DOUCUQRMDGTQSW-UHFFFAOYSA-N	321.724	1.927	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)Nc2ccc(C(=O)O)cc2)n1	1776045385	DCDVPMBPFKHNIS-UHFFFAOYSA-N	316.321	1.460	50	20	DDGD	
CNC(=O)/C(C#N)=C\c1cn(CC(=O)O)nc1-c1ccccc1	1776125747	RTKCMFLSYVLEST-GHXNOFRVSA-N	310.313	1.288	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CNC(=O)C1CCCCC1	13985087	SITBECMPRUPANZ-UHFFFAOYSA-N	317.389	1.453	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)c1cccnc1Cl	15889762	AKZOWKUDFRZQGL-UHFFFAOYSA-N	323.711	1.714	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)Cn1nc2ccccn2c1=O	160929783	OBNALRLVASEFKO-UHFFFAOYSA-N	315.308	1.087	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2ccc(-n3ccnc3)nc2)c1	152328646	AGIBQFJLKHIATR-UHFFFAOYSA-N	304.313	1.896	50	20	DDGD	
CCC(=O)N1CCC[C@H](C(=O)NNc2ccc(C#N)cc2)C1	155485839	ULQMPAHQEWGKIJ-ZDUSSCGKSA-N	300.362	1.650	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)CC1CCCC1	102896841	XQCLUAXCJWWZGO-UHFFFAOYSA-N	300.362	1.605	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C1(C#N)CCCC1	52634151	XAESQDGNYHUWIV-NSHDSACASA-N	319.336	1.824	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cc2ccccc2oc1=O	103199754	BSTIRAOPTBNGAS-UHFFFAOYSA-N	302.330	1.990	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(C)o2)c(OC)c1	105964259	QEIWMMRGWVRRQR-UHFFFAOYSA-N	304.302	1.680	50	20	DDGD	
COc1cc(C)cc(C(=O)NNC(=O)c2cccn2C)c1O	106901993	CWGVIGMFZMTGFG-UHFFFAOYSA-N	303.318	1.123	50	20	DDGD	
Cc1cccc(CSCC(=O)NNC(=O)c2cnn(C)c2)c1	117682732	FTXSJYILUHEPSA-UHFFFAOYSA-N	318.402	1.423	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc(C)c(Oc2ccncc2)c1	115344072	ASWFRGMLJVGBDB-UHFFFAOYSA-N	300.318	1.756	50	20	DDGD	
COc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)c2ccc(C)o2)c1	175829694	DQDPVAHEDDSVBK-UHFFFAOYSA-N	319.273	1.580	50	20	DDGD	
C=CC[C@@H](C)NC(=O)NNC(=O)c1cc(Br)c[nH]1	116934635	ARKHJUHYKCKOMP-SSDOTTSWSA-N	315.171	1.686	50	20	DDGD	
O=C(NNc1cccnn1)N[C@H]1CCOc2ccc(F)cc21	172464531	VBBGORWXAJFMFR-NSHDSACASA-N	303.297	1.766	50	20	DDGD	
CC[C@H](C)C[C@H](C)NC(=O)NNC(=O)Cn1nc(C)cc1C	74787647	PNZUCDVYFPRBQR-QWRGUYRKSA-N	309.414	1.655	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ncccn1)N1C[C@@H](C)O[C@H](C)C1	66913593	HSQJUIPLMQJUHG-UPJWGTAASA-N	307.398	1.054	50	20	DDGD	
CC(=O)c1cccc(O[C@H](C)C(=O)NNc2ncccn2)c1	63241736	VZZAZPRFRYHGEV-LLVKDONJSA-N	300.318	1.590	50	20	DDGD	
COCC(=O)N(C)CC(=O)NNc1nc2ccccc2cc1C	181308846	UQEKICTUHAPVMH-UHFFFAOYSA-N	316.361	1.091	50	20	DDGD	
CC(C)C[C@H](CO)NC(=O)NNC(=O)CCCc1ccccc1	180961645	VGKNDRQNFKYOEL-OAHLLOKOSA-N	321.421	1.747	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCC2CCOCC2)cc1	173068078	NZZHVNJFNGJYPI-UHFFFAOYSA-N	320.389	1.728	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1F)C1(O)CCSCC1	305738077	YWSYAUJKESRIRH-UHFFFAOYSA-N	306.309	1.805	50	20	DDGD	
CCc1ncc(C(=O)NNC(=O)c2ccccc2OC)s1	67435672	VCMZADRQIPDQPL-UHFFFAOYSA-N	305.359	1.789	50	20	DDGD	
N#Cc1cc(F)ccc1NC(=O)NNC(=O)Cc1cccnc1	186430880	SVCIRHBZDPLVQL-UHFFFAOYSA-N	313.292	1.488	50	20	DDGD	
Cc1coc(SCC(=O)NNC(=O)c2ccc(F)cc2)n1	188359513	GKCMJHJMQPXCJZ-UHFFFAOYSA-N	309.322	1.675	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@H](C)C(=O)NNc1ccnc(F)c1	182541622	JNTPURSPENWZFC-VIFPVBQESA-N	305.357	1.893	50	20	DDGD	
CN(C)c1ccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)cc1	126140227	HGYCTANQRJEXLX-UHFFFAOYSA-N	320.393	1.275	50	20	DDGD	
Cc1cccc(COc2cccc(C(=O)NNC(=O)CO)c2)c1	180950894	RSGMBDLFBRFHGO-UHFFFAOYSA-N	314.341	1.327	50	20	DDGD	
CCN1CCO[C@@H](C(=O)NNc2c(F)cccc2Cl)C1	184239845	GJOCEMMVHFZEGS-LLVKDONJSA-N	301.749	1.643	50	20	DDGD	
CS[C@@H](C)C(=O)NNC(=O)c1cc(-c2ccc(C)cc2)n[nH]1	127101086	BBPTXMVSJJDRLW-JTQLQIEISA-N	318.402	1.898	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)NC1CCN(C2CC2)CC1	121984276	WRBQZOGWSXFZMS-UHFFFAOYSA-N	310.789	1.383	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2ccc(C)c(C)c2)nc1	124300356	NHIWEBPNTAWEOT-UHFFFAOYSA-N	314.345	1.789	50	20	DDGD	
O=C(NNc1cccnn1)[C@@H]1CCCCN1Cc1ccccc1	182674567	WDTOAISJTBUGPJ-HNNXBMFYSA-N	311.389	1.974	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)c2cncc(F)c2)cc1	127689774	SUBIEXZSMOQTNQ-UHFFFAOYSA-N	317.324	1.753	50	20	DDGD	
Cc1[nH]c2c(C(=O)NNC(=O)Cc3cc[nH]n3)cccc2c1C	186131484	NYKVFVQBOBAGDS-UHFFFAOYSA-N	311.345	1.512	50	20	DDGD	
Cn1cc(NC(=O)NNC(=O)CCCc2ccccc2)cn1	183224815	SXTSJQVQIHVPFF-UHFFFAOYSA-N	301.350	1.596	50	20	DDGD	
CCCOCC(=O)NNC(=O)c1cc(-c2ccc(C)cc2)n[nH]1	132659899	OSSWSPGCWMISFC-UHFFFAOYSA-N	316.361	1.573	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(OC(F)F)cc1	132061105	ONPZSEOTNQAXHW-UHFFFAOYSA-N	310.260	1.844	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN(C)Cc1ccco1	136233941	IIZGGESJLFSBHV-UHFFFAOYSA-N	315.373	1.410	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H](C)CC(=O)OC)c1ccccc1	132396126	SZVUFYCIEWXESW-YPMHNXCESA-N	306.362	1.527	50	20	DDGD	
O=C(CCCCN1CCOCC1)NNC(=O)CC1CCCC1	195338106	YHTZVYYPKKQHTB-UHFFFAOYSA-N	311.426	1.217	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1ccn(-c2ccccc2F)n1	97255682	DVLAJXUSVIIBCV-UHFFFAOYSA-N	313.292	1.414	50	20	DDGD	
CCn1c(NNC(=O)[C@H]2CCCS2)nc2ccccc2c1=O	266621315	SXAVSIWZDWCBOJ-GFCCVEGCSA-N	318.402	1.755	50	20	DDGD	
O=C(NNC(=S)NCc1ccc(F)cc1)[C@@H]1CCCS1	266588488	SHUYDAABRBBPMX-NSHDSACASA-N	313.423	1.717	50	20	DDGD	
COc1ccc2c(c1)C=C(C(=O)NNC(=O)CC(C)C)CO2	267986052	QIBUZSATWQEROH-UHFFFAOYSA-N	304.346	1.665	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCCc1cccc(C(N)=O)c1	263731670	IGDWXPLANZWLIN-UHFFFAOYSA-N	322.365	1.067	50	20	DDGD	
CC[C@@]1(C(=O)NN(C)C(N)=O)CCN(C(=O)OC(C)(C)C)C1	367952104	TZHCHHFJZVSRAU-CQSZACIVSA-N	314.386	1.065	50	20	DDGD	
O=C(NNc1nnc(C2CC2)s1)[C@H]1CCc2[nH]ncc2C1	273638281	SYCBKDBTFMHPHN-QMMMGPOBSA-N	304.379	1.387	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C(C)(C)c1ccccc1)C(=O)OC	277327326	VCEAPUPBYHYTLH-GFCCVEGCSA-N	306.362	1.311	50	20	DDGD	
CC1(C)OCC(C)(C(=O)NNC(=O)c2ccc(C#N)cc2)CO1	272090382	JDZGJVPUJSQGPU-UHFFFAOYSA-N	317.345	1.108	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(OCC(F)(F)F)cc1	272670804	KQVIQMIIRAEVHF-UHFFFAOYSA-N	319.283	1.934	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cnn(-c2ccccc2)n1	273442773	WTKMLNIDNYKCTR-UHFFFAOYSA-N	302.338	1.466	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)c3ncn(C)n3)cc2C1	289306720	CFSIJVFAUSHMIS-MRVPVSSYSA-N	319.390	1.076	50	20	DDGD	
CC(C)c1noc(CCC(=O)NNC(=O)Nc2ccccc2)n1	283756499	MAWCPKQQNCEXDB-UHFFFAOYSA-N	317.349	1.979	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)c1cnc2c(c1)nnn2C	281885388	XQVCFNKZUYGJLJ-UHFFFAOYSA-N	310.361	1.991	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Cc1ccsc1	287800994	MFPIIHHBHALAKL-UHFFFAOYSA-N	300.380	1.227	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2CCCC23CCOCC3)n1	374340174	GIESKALRSCXVPR-NSHDSACASA-N	321.381	1.461	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(C)c(C)c1O	288001530	OTVRKMPCHPCWNW-UHFFFAOYSA-N	324.377	1.559	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H](C)Cc1ccc(OC)c(OC)c1	286290994	JGSWFGDYSVBROG-JTQLQIEISA-N	310.350	1.612	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(C)[C@H](Cc2ccccc2)C1	285794046	PGBPKYMQHIZLLA-FYPAKXHLSA-N	313.401	1.816	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2cnn(CCF)c2)c1	807182457	ADDRKHJECUAOFA-UHFFFAOYSA-N	308.704	1.530	50	20	DDGD	
CC(C)N1C[C@@H](NC(=O)NNc2cccc(Cl)n2)CC1=O	293032632	NSPOUVQSALGEGT-VIFPVBQESA-N	311.773	1.370	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H](C)c2ncnn2C)cc1	298222427	HNCJBDLTUPMMOI-SNVBAGLBSA-N	304.354	1.601	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@@H](O)C1CCCCC1	803439697	KVNWBDZJIYYMNV-HNNXBMFYSA-N	315.373	1.912	50	20	DDGD	
Cc1cc(NC(=O)NNc2ncccc2F)nn1CCC#N	806381459	FFOJMSWZFFJZKR-UHFFFAOYSA-N	303.301	1.788	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)COCc1cccnc1	805173125	ZYIHKATXMQDRNG-UHFFFAOYSA-N	313.357	1.378	50	20	DDGD	
O=C(NNC(=O)[C@H]1CSCCS1)c1ccccc1F	298074123	QZAVFECYASFPOS-SNVBAGLBSA-N	300.380	1.435	50	20	DDGD	
CCOc1cc(C(=O)NNc2nccnc2C2CCC2)on1	295267882	DTOPCYYXKAUOGY-UHFFFAOYSA-N	303.322	1.888	50	20	DDGD	
O=C(Cc1ccc2c[nH]nc2c1)NNC(=O)Nc1ccccc1	801988482	CMAAAIVZSQJFKP-UHFFFAOYSA-N	309.329	1.958	50	20	DDGD	
CCn1cc(-c2nn(C)cc2C(=O)NCC(Cl)Cl)cn1	294571867	GMDRNDHJHUFYFJ-UHFFFAOYSA-N	316.192	1.837	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2cccnc2)n(C)c1C	800803508	ICQUBHGGGUXIEP-UHFFFAOYSA-N	300.318	1.279	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNC(=O)Cc1ccccc1C	808560704	XPERJHFPBOYMGO-LLVKDONJSA-N	306.362	1.274	50	20	DDGD	
CCCCOCCNC(=O)NNC(=O)COc1ccc(C)cc1	299335196	KBOWQQZWSCWMNF-UHFFFAOYSA-N	323.393	1.521	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1ccc(-n2cnnn2)cc1	808247615	IIXOBRHKMSHFLY-UHFFFAOYSA-N	300.149	1.538	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)O)CCC1=NNC(=O)c1ccnc(N(C)C)c1	814844232	FBFRZAXPTNMDFA-PWSUYJOCSA-N	318.377	1.754	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@]2(C)CC2(F)F)c(C)c1	817708672	BHKRXHPDFDPFRB-AWEZNQCLSA-N	311.332	1.908	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccnc(-c2ncc[nH]2)c1	814626356	SVSFLNOPPLTZSJ-UHFFFAOYSA-N	302.338	1.216	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)c2ccc(N)nc2)c(OC)c1	814839220	JKTZDXVKMOPOBK-UHFFFAOYSA-N	314.345	1.835	50	20	DDGD	
CCc1nc(C)c(CNC(=O)NNc2ncncc2Cl)o1	814416481	PCQJJKJKKFLYTG-UHFFFAOYSA-N	310.745	1.815	50	20	DDGD	
CNC(=O)Cc1ccc(NC(=O)NNc2ncncc2F)cc1	814555654	GGDNBHBCQRNRIO-UHFFFAOYSA-N	318.312	1.053	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCO[C@@H](c2ccccc2)O1)c1ccc[nH]1	816824091	OTYGYILOMUPBBZ-XJKSGUPXSA-N	315.329	1.280	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)N=c2cc[nH]cc2)C[C@@H]1C	814999982	CWLJDRYUQWHQQG-FZMZJTMJSA-N	318.377	1.980	50	20	DDGD	
CCCNC(=O)NN=C(C)c1cccc(O[C@@H](C)C(=O)O)c1	814818907	ONMVRNBZZZMFOC-NSHDSACASA-N	307.350	1.972	50	20	DDGD	
O=C(NNC(=O)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)C1CCCC1	811910069	SVBXNKNRCVWEAY-KBPBESRZSA-N	321.421	1.951	50	20	DDGD	
Cn1cc(C=NNC(=O)CSc2ccccc2O)c(O)n1	814969215	SBDJGKVELRSADD-UHFFFAOYSA-N	306.347	1.074	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)c2ccc(O)c(O)c2)[C@]12CCCO2	819809231	CNROBUXQPPIFQM-GDBMZVCRSA-N	320.345	1.542	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NN=C[C@@H]1CCCOC1	814744262	UZQCIKLJASRLKB-NSHDSACASA-N	307.306	1.502	50	20	DDGD	
O=C(Cn1c(=O)nc(O)c2ccccc21)NCC(Cl)Cl	816606037	WDCVPUZZOWSQGS-UHFFFAOYSA-N	316.144	1.022	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNC(=O)CC(C)C)(CC1)CC2	814427680	QAWBPGNVTBIENT-UHFFFAOYSA-N	310.394	1.694	50	20	DDGD	
CCOC(=O)C1(CNC(=O)NNc2cccc(Cl)n2)CC1	814321731	XHPPQQOYHUYFSJ-UHFFFAOYSA-N	312.757	1.704	50	20	DDGD	
Cn1ncc(Cl)c1C=NNC(=O)COc1ccccc1O	814953117	JXKINWUHWFWPPI-UHFFFAOYSA-N	308.725	1.308	50	20	DDGD	
N#Cc1cccc(C(=O)NNc2nc(-c3cccnc3)no2)c1	728075836	PQAVJZPCSWWAEZ-UHFFFAOYSA-N	306.285	1.760	50	20	DDGD	
C[C@H](CCc1ccco1)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	825566994	RXYLLQUJISYHRK-WZRBSPASSA-N	309.366	1.356	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCO[C@H](C(F)(F)F)C2)cn1	826137187	NYRZYUFGEZMRNH-INJWIWPUSA-N	314.267	1.117	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=S)NCC2CCC2)cc1	727270303	FKXYKTJHIFDHTM-UHFFFAOYSA-N	307.419	1.669	50	20	DDGD	
COC[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(C)cc1	497111046	VWGIRHWRBZTWAG-ZDUSSCGKSA-N	323.393	1.978	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H]1CCc2ccc(F)cc21	825947181	HBKOZVJYXRKEBR-BHYNMZESSA-N	321.352	1.568	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(-c2n[nH]c(C)n2)ccc1C	494657770	BZQXNUMGDJACMV-UHFFFAOYSA-N	318.337	1.871	50	20	DDGD	
CN(C)c1ncc(/C=C(/C#N)C(=O)NCc2ccccc2)n1C	491177490	XBTNUNZOMPVSEG-ZROIWOOFSA-N	309.373	1.709	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)/C=C\C1CCCC1	493422229	BYLLBRHQIKEXLC-HJWRWDBZSA-N	311.382	1.405	50	20	DDGD	
CCN(CCO)NC(=O)[C@H](C)Oc1cc(C)ccc1Cl	823852980	VTSCZGLEJDUPMM-NSHDSACASA-N	300.786	1.761	50	20	DDGD	
CC(C)(C)OC(=O)NCC1(CC(=O)NNc2cccnn2)CC1	495986322	CXHWQHVIEJFTNA-UHFFFAOYSA-N	321.381	1.615	50	20	DDGD	
CCC[C@H](C)N1C[C@H](C(=O)NNC(=O)OC(C)(C)C)CC1=O	490786855	JEHVAVNQUAKAMJ-WDEREUQCSA-N	313.398	1.579	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CCC2)c(C)n1-c1cnn(C)c1	827215990	IUTKRJPBGHVDCP-UHFFFAOYSA-N	315.377	1.389	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@@H]1CCS[C@@H]1C	827643218	KBXLBBUUOOIIQZ-ZYHUDNBSSA-N	323.418	1.462	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CCO1	824860708	XCSJAHOWZROKDQ-VIFPVBQESA-N	300.322	1.151	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2cccc3ccccc23)n[nH]1	823960893	HCCNEMJPFSVHII-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
C#C[C@H](C)N(C)CC(=O)NNC(=O)c1cc(C)c(CC)s1	491783689	RJOFAXGROZXDST-NSHDSACASA-N	307.419	1.333	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1CC1(Cl)Cl	826448170	KWORWJMZUGXVND-QMMMGPOBSA-N	313.148	1.504	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNc1ncncc1Cl)C(C)C	822286828	HPTWMOHCRDKFEB-VIFPVBQESA-N	300.746	1.408	50	20	DDGD	
CCN(CC)C(=O)CCCNC(=O)NNC(=O)OC(C)(C)C	491420313	UECXUBJYAPNXLX-UHFFFAOYSA-N	316.402	1.374	50	20	DDGD	
O=C(Cc1ccccc1C(F)(F)F)NNC(=O)NCC1CC1	729343804	BQAVXCARSNYTAY-UHFFFAOYSA-N	315.295	1.988	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@H](CO)C2CCCCC2)cn1	491048436	LBCOCIBYVLMBEE-NXADEVLQSA-N	316.405	1.632	50	20	DDGD	
C#CCCCC(=O)NN=Cc1cccc(O[C@H](C)C(=O)O)c1	901324040	FZMZOTPRYIVOGX-GFCCVEGCSA-N	302.330	1.792	50	20	DDGD	
CN(C)C1(CNC(=O)[C@@]2(C)C[C@@H]2Br)CCOCC1	906696715	IUYQUCQZZKCATP-JQWIXIFHSA-N	319.243	1.387	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)CC2(O)CCC2)c1	822195950	OSMRVZFUXXWQJE-UHFFFAOYSA-N	306.362	1.135	50	20	DDGD	
O=C(NN=Cc1ccc(-c2nn[nH]n2)cc1F)C1CCCC1	823273495	PKGCYUPCFDURHS-UHFFFAOYSA-N	302.313	1.646	50	20	DDGD	
CC(=NNC(=O)NCCNC(=O)OC(C)(C)C)c1cnccn1	491549337	LULSLAJSASYIGY-UHFFFAOYSA-N	322.369	1.025	50	20	DDGD	
CN1CCO[C@@H](C(=O)NNc2cccc(C(F)(F)F)c2)C1=O	901161565	DEWWRJFNRAVERS-JTQLQIEISA-N	317.267	1.006	50	20	DDGD	
Cc1cc(F)c2c(c1)C(=NNC(=O)c1c[nH]nc1C)C(=O)N2	735410389	CHARWWNEQMTMHJ-UHFFFAOYSA-N	301.281	1.252	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1ccccc1C	907027563	HAOHMCUYUGCVSH-HOCLYGCPSA-N	302.374	1.666	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc(Cl)nc1F	908518086	UBOGDFJZFOJZCG-QMMMGPOBSA-N	301.705	1.204	50	20	DDGD	
C[C@H](COc1ccccc1F)NCc1cccc(B(O)O)c1	585019181	FFACKTJYOULWQW-GFCCVEGCSA-N	303.142	1.063	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H](C2CCC2)C2CC2)n1	836437676	QGRQUZBHYGWNRK-CQSZACIVSA-N	302.378	1.913	50	20	DDGD	
CC(C)Oc1cc(F)ccc1NCc1ccccc1B(O)O	585033645	IHQWEJUEKVBYHI-UHFFFAOYSA-N	303.142	1.905	50	20	DDGD	
C[C@H](CCCc1ccccc1)C(=O)NNC(=O)c1ncon1	832826425	ZQYXYICAQJNWSI-LLVKDONJSA-N	302.334	1.490	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc(Br)co1	837367349	OSWRCFVVDBUZRR-UHFFFAOYSA-N	302.128	1.396	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1nnc(C2CC2)s1	836205334	HOVNWMIKBRKLJT-MRVPVSSYSA-N	311.367	1.137	50	20	DDGD	
COc1cc(OC)c(C=NNC(=O)[C@H]2CCCCO2)c(OC)c1	834988902	BBTPSLSFDBBQQL-CYBMUJFWSA-N	322.361	1.732	50	20	DDGD	
C[C@@H](N)C[C@@H](C)NC(=O)NNC(=O)c1cn(C)c2ccccc12	831203792	ZTCXBYGQZUMPEH-GHMZBOCLSA-N	317.393	1.248	50	20	DDGD	
C=C(CI)n1cc(CN(C)C(C)=O)nn1	900641233	PGYFKXMHAFLWBY-UHFFFAOYSA-N	320.134	1.162	50	20	DDGD	
CC[C@H](C)Oc1cc(C=NNC(=O)NCC(=O)O)ccc1OC	833641127	NWWOWWHCLUGUFT-JTQLQIEISA-N	323.349	1.590	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21	905138398	OPKZVZMSSRZUJG-KNXALSJPSA-N	311.341	1.083	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)NCCc1cccs1	739707091	XHAKYPCAEZDRNK-UHFFFAOYSA-N	308.363	1.485	50	20	DDGD	
C[C@]1(CC(=O)NNC(=O)N=c2cc[nH]cc2)CC1(Cl)Cl	831936913	JOWNUMWRRCHCBQ-NSHDSACASA-N	317.176	1.630	50	20	DDGD	
CO[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(C)n2)C12CCC2	838770188	WFLYBZQIIXGNRY-OLZOCXBDSA-N	318.377	1.292	50	20	DDGD	
CNC(=O)NNC(=O)c1ccccc1N(C)C(=O)c1ccco1	731003299	FCFIXMMTGBBVKH-UHFFFAOYSA-N	316.317	1.130	50	20	DDGD	
O=S(=O)(CCl)N1CCOC[C@H]1C[C@@H](O)c1ccccc1	830872476	IVLFNIXFZJAGBF-CHWSQXEVSA-N	319.810	1.337	50	20	DDGD	
COC[C@@]1(CO)CCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C1	832390655	XLSKDYIBVXKALQ-UZPPOTPCSA-N	317.345	1.790	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@]2(C)CCCCO2)c1O	839568690	PXSDCGDXYUGNEU-HNNXBMFYSA-N	308.334	1.121	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)N[C@@H](C)C[C@H](C)N)cc1	831197165	JPXNQGANAIBTEZ-RYUDHWBXSA-N	324.450	1.543	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N(Cc1cccs1)C1CC1	584927220	DRGUBNSYIUGGGI-UHFFFAOYSA-N	319.166	1.372	50	20	DDGD	
COc1cc(C)cc(CCNCc2ccc(B(O)O)cc2F)c1	585047976	YSOKQDOEUKYDLW-UHFFFAOYSA-N	317.169	1.155	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C(C)(C)C	735550977	ODJPSHYLWFBIMZ-VIFPVBQESA-N	316.365	1.310	50	20	DDGD	
CCc1oc2ccccc2c1CC(=O)N1CC[C@@H](B(O)O)C1	585067687	UFDGLOFPAKDIIV-LLVKDONJSA-N	301.151	1.613	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)[C@@H]2CCCCO2)cc1F	836221348	ABHSDFFDKYNJMW-ZDUSSCGKSA-N	309.341	1.534	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](O)C2CCCCC2)c1F	837061648	PPFSLUANHZFONI-AWEZNQCLSA-N	324.352	1.997	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C(C)(C)C1CCC1	838156858	JGJFNQPMRWWQJM-NSHDSACASA-N	312.410	1.938	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cncc(O)c2)cc1C	731862072	YXBNVKLTLCMYOK-UHFFFAOYSA-N	315.329	1.244	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NOC2CCCC2)cc1	836388820	UMZSVOCBNKUYNB-UHFFFAOYSA-N	308.338	1.905	50	20	DDGD	
COc1cc(F)c(S(=O)(=O)NNC(=O)C2CCC2)c(F)c1	732047878	JAAXQFFSDDUFMY-UHFFFAOYSA-N	320.317	1.083	50	20	DDGD	
COCC1(CNC(=O)NNC(=O)c2ccccc2F)CCCC1	836427775	DSCKPXIMBPKUNJ-UHFFFAOYSA-N	323.368	1.977	50	20	DDGD	
CC[C@H](O)[C@@H](C)C(=O)NNC(=O)c1nc2ccccc2s1	913818045	NGWZEXABHXDJQX-SCZZXKLOSA-N	307.375	1.464	50	20	DDGD	
CC[C@](C)(CNC(=O)NNC(=O)c1ccccc1OC)OC	836292432	QBJXPKWRTPZHRS-OAHLLOKOSA-N	309.366	1.454	50	20	DDGD	
CCN(CC)c1ccc(C(=O)NNC(=O)c2ncccn2)cc1	743285172	RRGUZKQBBBQKDK-UHFFFAOYSA-N	313.361	1.398	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2ccc(C)cc2O)C(=O)OC1(C)C	748560119	GMFNINOZPMGFQS-UHFFFAOYSA-N	318.329	1.114	50	20	DDGD	
O=C(NNc1ccccc1F)c1ccc(N2CCOCC2)nc1	748050356	DGUPSZVMZXMLBM-UHFFFAOYSA-N	316.336	1.814	50	20	DDGD	
CCCN(C(=O)/C(C#N)=C\c1cnn(C)c1)[C@@H]1CCN(C)C1	843990725	YIERTAMBNGYJGV-CKNOQMABSA-N	301.394	1.270	50	20	DDGD	
NNC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	841661640	NGVJLBVKVBUYNT-UHFFFAOYSA-N	307.232	1.198	50	20	DDGD	
CC(C[C@@H]1CCCC(=O)N1)=NNC(=O)CNc1ccccc1F	841604828	VQOLNCKLPFULMV-LBPRGKRZSA-N	320.368	1.789	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1cc([N+](=O)[O-])ccc1O	842560735	HMJCIPUNGRSXEW-GXSJLCMTSA-N	307.306	1.566	50	20	DDGD	
COCCn1cc(NC(=O)NNc2cccc(C#N)c2)cn1	918543352	ZKBYAAHMSWYZEN-UHFFFAOYSA-N	300.322	1.550	50	20	DDGD	
Cc1ccc2c(CC(=O)NNC(=O)[C@H]3CCO[C@H]3C)c[nH]c2c1	843647304	MAUVDNDDUDESLT-AAEUAGOBSA-N	315.373	1.591	50	20	DDGD	
Cc1cccnc1C(F)(F)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843655890	ODCGJHHNGJLJFN-NXEZZACHSA-N	313.304	1.054	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)c2cccc(N(C)C)c2)[nH]1	747628711	YERKMGAPKNMNDX-UHFFFAOYSA-N	314.345	1.631	50	20	DDGD	
CCOC(=O)c1c(NC(=O)NN)sc2c1CCCS2	841158533	RMCAYEAPWRCGKG-UHFFFAOYSA-N	301.393	1.958	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@@H]1CCc2ncncc2C1	843860757	FBYDYPWSSOHLMJ-MRVPVSSYSA-N	304.741	1.168	50	20	DDGD	
CSc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)ccc1F	843660822	LLBUDJQSERPMTK-PSASIEDQSA-N	312.366	1.734	50	20	DDGD	
COc1ccc(NNC(=O)CCc2c(C)nc(C)nc2O)cc1	746886944	NNLUPJPHXYEFGN-UHFFFAOYSA-N	316.361	1.884	50	20	DDGD	
CC(C)Cc1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc(O)n1	843657061	OAYIIZJKSNTSAG-MFKMUULPSA-N	321.377	1.172	50	20	DDGD	
COc1cccc(OCC(=O)NNC(=S)NC(C)(C)C)c1	918690369	PXVCHVHKAKWOAW-UHFFFAOYSA-N	311.407	1.368	50	20	DDGD	
Cn1c(NNC(=O)COC2CCOCC2)nc2ccccc21	848379832	SJNXEAIISZSFSY-UHFFFAOYSA-N	304.350	1.212	50	20	DDGD	
CC[C@@H](C#N)C(=O)NNc1c(OC)cccc1S(C)(=O)=O	845949754	PWKKJEMVQPCVFM-VIFPVBQESA-N	311.363	1.092	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NN=C1CCS(=O)(=O)C1	912800086	BJKXLUVVFDRRBR-UHFFFAOYSA-N	300.767	1.173	50	20	DDGD	
NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1ccc(OC(F)(F)F)cc1	847600657	WAPQYDNACHSLRR-UWVGGRQHSA-N	317.267	1.540	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2c(c1)C(C)(C)CO2	843653062	DDXLOGRVYVVOOD-CMPLNLGQSA-N	318.373	1.543	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Cc1c[nH]c2ccccc12)[C@H](C)O	842225181	TYHVUXMCVQTLJU-CMPLNLGQSA-N	303.362	1.265	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)CCc1ccccc1Cl	849393181	ZTYCDKUTWNDLNG-UHFFFAOYSA-N	306.771	1.415	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NNc2nc3ccccc3n2C)C1	848380432	GCMLVTALGUEZIT-LLVKDONJSA-N	315.377	1.275	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NC[C@H]2CC[C@H](C)O2)cc1	845251227	CLMJDSCOIRJTQC-SMDDNHRTSA-N	321.377	1.596	50	20	DDGD	
CN(C)C(=O)[C@H](NNC(=O)[C@@H]1CCCCO1)c1ccccc1	842150625	IJGAJNUFOLTBNT-UONOGXRCSA-N	305.378	1.006	50	20	DDGD	
C[C@@H](Cc1ccc(F)cc1)C(=O)NNc1ncnc2[nH]cnc12	743473219	LNASIVCKFVXRAP-VIFPVBQESA-N	314.324	1.814	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)CNC(=O)c2ccc(O)cc2)c1	749283584	GIONVTBYWGUZDP-UHFFFAOYSA-N	313.357	1.882	50	20	DDGD	
C[C@@H](CN)CNC(=O)NNC(=O)c1c(Cl)cccc1Cl	841962527	KDPAGKVPVZTLKO-ZETCQYMHSA-N	319.192	1.532	50	20	DDGD	
COc1cccc(S(=O)(=O)NNC(=O)CC(C)C)c1F	848449132	BDFKAAPOMRUFPK-UHFFFAOYSA-N	304.343	1.190	50	20	DDGD	
Cc1cc(C)c(OCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(C)c1	843645835	IMKABQSLGRCUDW-UONOGXRCSA-N	320.389	1.563	50	20	DDGD	
CC1(C)C[C@H](C(=O)NNC(=O)NC2CC2)c2ccccc2O1	840288462	JNTRFXKHHNBOMY-LBPRGKRZSA-N	303.362	1.824	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21	929248670	DQBRSERWNMUBQU-KURSZUGOSA-N	318.348	1.644	50	20	DDGD	
CNC(=S)N(C)NC(=O)C1(c2ccc(OC)cc2)CCCC1	854925198	FUWDSHABYFXQNW-UHFFFAOYSA-N	321.446	1.974	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=Cc1cnc2n1CCC2	853264782	RHIUXQQWPNMFED-UHFFFAOYSA-N	308.345	1.549	50	20	DDGD	
CCCN(CC)c1ccc(C(=O)NNC(=O)NC2CC2)cn1	751369254	MSKZMVGTIJIQNM-UHFFFAOYSA-N	305.382	1.424	50	20	DDGD	
CC1CC(CNC(=O)NNC(=O)COc2ccccc2C#N)C1	856961086	CANVYPIHIUZAKV-UHFFFAOYSA-N	316.361	1.314	50	20	DDGD	
CCOC(=O)[C@H](CC(=O)NNc1cc(F)ccc1C)C(C)=O	855370216	RGDBQWBSDKHIGH-GFCCVEGCSA-N	310.325	1.736	50	20	DDGD	
ICCN1CCN(C[C@@H]2CCCO2)CC1	759322858	SGZZKNOFHAEHET-NSHDSACASA-N	324.206	1.218	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)Nc1cnn(CC2CC2)c1	756812585	FVSOAOADJMOOSY-UHFFFAOYSA-N	317.324	1.899	50	20	DDGD	
CO[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(C#N)cc2)C1(C)C	753426081	SFVQXFSTOBZNSR-OLZOCXBDSA-N	316.361	1.316	50	20	DDGD	
CCN(CC)CCNC(=O)NC[C@@]1(C)C[C@@H]1Br	856829603	QUUALQBEYWRUBJ-CMPLNLGQSA-N	306.248	1.801	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)[C@H](C)CN2CCCCC2)cn1	920987061	DPIWSVVFXUBSPB-CYBMUJFWSA-N	305.426	1.865	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H](C)OCC(C)C	920807877	QFSQOQZSYZTODD-CYBMUJFWSA-N	322.405	1.836	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2ccc(Cl)cn2)[C@H]1OC	852264889	RMRPSNITUFHHSR-CKYFFXLPSA-N	314.773	1.554	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(C)CC2=CCSC2)c1	852747433	IGDYQLOQAZIKBJ-UHFFFAOYSA-N	319.430	1.361	50	20	DDGD	
CCCCC1CCC(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1	858695092	VDZKGGBSYHLJIM-WXRRBKDZSA-N	324.425	1.344	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)O1	756982232	CDRCQARYLLCNAF-UONOGXRCSA-N	320.393	1.863	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1cnn(C)c1)c1c(C)noc1C	757061228	DSWXKJGMBXIPIN-NSHDSACASA-N	320.353	1.120	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CSCCS1)c1ccc(Cl)nc1	750992974	AOEKHTOMJWDCNA-QMMMGPOBSA-N	317.823	1.345	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc(NC(N)=O)cc1)C1CC1	751620909	ZFIRNCOSMDPXDQ-QMMMGPOBSA-N	321.406	1.085	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCCC1=NNC(=O)c1cccc(F)n1	853442072	HSJBAUBKFZQPLI-LLVKDONJSA-N	313.354	1.294	50	20	DDGD	
CC(C)Cn1[nH]c(CC(=O)NNc2ccc(F)cc2F)cc1=O	935021081	YMHHCLTUOHRNEY-UHFFFAOYSA-N	324.331	1.796	50	20	DDGD	
O=C(CO)NNC(=O)Nc1cccc(C2SCCS2)c1	755531178	BAWVAPQFLFVVBQ-UHFFFAOYSA-N	313.404	1.310	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cccc(NC(N)=O)c1)C1CC1	751619242	LSDNDNVKGFVWER-MRVPVSSYSA-N	321.406	1.085	50	20	DDGD	
C[C@H](O)[C@@H]1CCN(C(=O)NC[C@]2(C)C[C@H]2Br)C1	856953593	SEZXGHCYEOMBGY-XNDJQWLSSA-N	305.216	1.572	50	20	DDGD	
CCCC(=NNC(=O)[C@H]1CCC(=O)N1)c1cccc([N+](=O)[O-])c1	863145174	GJKIPPCSKBHZRS-CYBMUJFWSA-N	318.333	1.494	50	20	DDGD	
CCc1ccc([C@@H](C)C(=O)NNC(=O)Cc2cc(C)[nH]n2)cc1	869012368	OGYCTOIXEDHXDO-GFCCVEGCSA-N	314.389	1.774	50	20	DDGD	
CC(=NNC(=O)Cc1nc2ccccc2n1C)c1ccnn1C	765993938	BXSKOQOVWUMOOP-UHFFFAOYSA-N	310.361	1.390	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1cnc(C2CCC2)s1	760233789	BFLLUFNATKRVBE-UHFFFAOYSA-N	306.391	1.483	50	20	DDGD	
O=C(NNc1cccc(F)c1Cl)[C@H]1CCCS(=O)(=O)C1	862507399	CUSHWABBXXTVFD-QMMMGPOBSA-N	320.773	1.747	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)CCc2ccccc2)CCO1	769736159	RELCSRQVQKVCKW-GXTWGEPZSA-N	305.378	1.517	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H](C)CC2(C)OCCO2)nc1	868858648	NVNJBEAQPCVZGD-GFCCVEGCSA-N	308.382	1.805	50	20	DDGD	
O=C(CCc1cn[nH]c1)NNc1nc(C(F)(F)F)cs1	863894770	LJALWQWAQUAXGN-UHFFFAOYSA-N	305.285	1.961	50	20	DDGD	
CN(C)N(C(=O)[C@@H](F)c1ccccc1)[C@H]1CCS(=O)(=O)C1	769430845	HVQNSCYHZGQSAS-STQMWFEESA-N	314.382	1.190	50	20	DDGD	
CCCOc1cccnc1C(=O)NNc1nc(C)cc(OC)n1	760396729	RGPDSRQMSZSKEI-UHFFFAOYSA-N	317.349	1.734	50	20	DDGD	
CCOCn1nc(C)c(CC(=O)NCCCSC#N)c1C	868091014	QZRBJYWFJUHGNG-UHFFFAOYSA-N	310.423	1.757	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1	765569458	KRHFYFLONXRJKY-VIFPVBQESA-N	322.390	1.572	50	20	DDGD	
COc1ccc2c(c1)[C@H](C(=O)NNC(=O)c1c[nH]nc1C)CC2	761731672	ULUYGKPFPAMYGS-GFCCVEGCSA-N	314.345	1.218	50	20	DDGD	
CC(C)(C)OC(=O)C(C)(C)CCNCc1ccc(B(O)O)cc1	863890190	ORCUZGQXQAHCDT-UHFFFAOYSA-N	321.226	1.214	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2c[nH]nc2C)cc1C1CC1	767887985	NFYCQCRBCCQTGZ-UHFFFAOYSA-N	314.345	1.679	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccc(C(N)=O)nn1)C1CCC(C)CC1	764458951	SCKBZHPCLCKRBZ-HTAVTVPLSA-N	319.409	1.871	50	20	DDGD	
O=C(C[C@H]1C=CS(=O)(=O)C1)NNc1ccc(F)c(Cl)c1	863078915	PLZHGDUDRXWKNZ-MRVPVSSYSA-N	318.757	1.871	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](C)C1CCOCC1	761989824	AQRQWGVQKAZSIW-GFCCVEGCSA-N	305.378	1.754	50	20	DDGD	
CCCOc1ccc(NC(=O)NNC(=O)c2cn[nH]c2)cc1C	861620958	RIWVVJXXMKRCPT-UHFFFAOYSA-N	317.349	1.973	50	20	DDGD	
C[C@]1(C(=O)NNc2ccc(-n3ccnc3)nn2)C[C@H]2CC[C@H]1C2	861694038	HQZIDCCCPRGUKE-MKBNYLNASA-N	312.377	1.932	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2ccn(C)c2)cc1F	763757528	QYQRNGUYNCKAGN-UHFFFAOYSA-N	322.365	1.804	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)c1cnc(C2CC2)o1	877899932	LFUNWKSAXVUXMP-UHFFFAOYSA-N	319.292	1.531	50	20	DDGD	
C[C@H](CS(C)(=O)=O)C(=O)OC[C@@H](C)CBr	770390012	GBMYBNYCSNHSNV-JGVFFNPUSA-N	301.202	1.241	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCc2nn[nH]c21)c1ccccc1Cl	1118517739	HNRYUWZPYYCDNW-VIFPVBQESA-N	319.752	1.339	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1	779763692	SLUMZKMCKDIJQQ-GFCCVEGCSA-N	321.333	1.892	50	20	DDGD	
Cn1ccc(NC(=O)NNc2ccnc(Br)c2)n1	771133330	HIJKRVITHWSIFQ-UHFFFAOYSA-N	311.143	1.726	50	20	DDGD	
COc1ccccc1CCNC(=O)NN=c1cc[nH]c(C)c1	875005977	ZROUBOBLDPTGHU-UHFFFAOYSA-N	300.362	1.689	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccn(Cc2ccccc2)n1	771884422	ZOTYZIVZMSAQDP-UHFFFAOYSA-N	323.356	1.345	50	20	DDGD	
CC[C@@H]1C[C@@H](C(=O)NNC(=S)Nc2ccccn2)CCO1	779939145	UCDABBQYTUTUCM-WDEREUQCSA-N	308.407	1.604	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCC(F)F	879759643	VKARMCOAWJJSNB-SSDOTTSWSA-N	305.256	1.189	50	20	DDGD	
CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)c1ccc2c(c1)OCO2	771858313	LXLBROLKELKBDR-JTQLQIEISA-N	321.377	1.343	50	20	DDGD	
O=C(COC(=O)C#Cc1ccccc1)NNC(=O)c1ccccc1	773464919	KWCGWZDJEUCGQI-UHFFFAOYSA-N	322.320	1.043	50	20	DDGD	
O=C(NNc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1	770203888	WUJTXBGKGAHWSB-SSDOTTSWSA-N	306.746	1.357	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNC(=O)c1ccc(C)c(O)c1	882048417	NYYAAPCVAQVVDZ-ZDUSSCGKSA-N	305.378	1.336	50	20	DDGD	
O=C(NCc1nc(C2CC2)cs1)NNC(=O)C1CCOCC1	883521110	WCZZBDOTXPFUKG-UHFFFAOYSA-N	324.406	1.278	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCc2c(C(=O)OC)cccc21	888671982	CVPOTDQRYMGSFI-ZHACJKMWSA-N	300.314	1.806	50	20	DDGD	
O=C(CCCc1ccc(F)cc1)NNC(=O)C1CCOCC1	883072088	YNNMHHSRRCISHO-UHFFFAOYSA-N	308.353	1.722	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1CCCCS1	783589303	PEISSABJWUSYFO-NSHDSACASA-N	314.432	1.819	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCCCl)[C@H](O)c1ccc(F)cc1	881921747	CKGSEWGYVPALOG-SKDRFNHKSA-N	309.790	1.796	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@H]2CCN(C)C2=O)cc1	782451277	OJJQJGDWDAGBRN-VOMSXAGXSA-N	314.341	1.766	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2cc(C)ncn2)c(C)c1	783946302	YJXILNYAXFCVHU-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
Cn1cccc1C(=O)NNC(=S)NCCc1ccc(F)cc1	789177840	JBMBJIUIGOTQQW-UHFFFAOYSA-N	320.393	1.516	50	20	DDGD	
CC(C)[C@H]1CCCN(C(=O)NNC(=O)Cc2cccnc2)C1	780989183	NIQNNTJVBHXZGI-AWEZNQCLSA-N	304.394	1.733	50	20	DDGD	
Cn1c(=NNC(=O)[C@H]2CCCN2C2CC2)sc2ccccc21	786830148	QSWHSSFQCDQAIY-CYBMUJFWSA-N	316.430	1.799	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C(=O)Nc1nc2c(s1)CCC2	789763036	ZCSFFIQOOZRJIT-UHFFFAOYSA-N	321.337	1.248	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1csc(Cl)c1	786346799	FLFVRLNYOMXJHF-ZCFIWIBFSA-N	304.755	1.504	50	20	DDGD	
O=C(NN=Cc1c[nH]nc1-c1ccsc1)N1CCOCC1	780214835	SONZBKPQMGJPOC-UHFFFAOYSA-N	305.363	1.514	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1ccc2ncccc2c1	782477941	DBEWEIXECKULKL-UHFFFAOYSA-N	308.363	1.089	50	20	DDGD	
COc1cc(O)c(C=NNC(=O)c2cccc(C)n2)cc1OC	794566488	HUBONNNDEPGRQG-UHFFFAOYSA-N	315.329	1.877	50	20	DDGD	
CCN(CC(=O)NNc1nc2ccccn2n1)c1ccccc1	791252639	GIZKJOMEEVYBBE-UHFFFAOYSA-N	310.361	1.699	50	20	DDGD	
COC1(C=NNC(=O)CNC(=O)c2cccs2)CCCC1	790164830	CZVNCJVNNJCNJT-UHFFFAOYSA-N	309.391	1.539	50	20	DDGD	
CC(C)n1cnc(C(=O)NNc2nc(-c3cccnc3)no2)c1	798962614	XDVVMZPLAVRSEL-UHFFFAOYSA-N	313.321	1.666	50	20	DDGD	
CCCOc1ccc(C(=O)NN=C2C(=O)OC[C@H]2C)cc1OC	794882612	PYPAFSRYXOCALR-SNVBAGLBSA-N	320.345	1.763	50	20	DDGD	
CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)CCl)c1	1319682219	ORGQTVFPZYHQNE-SECBINFHSA-N	304.799	1.941	50	20	DDGD	
C=CC[C@@H](NS(=O)(=O)CC(C)(C)CCl)C(=O)OCC	1329394805	XALVSNLDURPZQO-SNVBAGLBSA-N	311.831	1.679	50	20	DDGD	
CCN(CC)c1ccc(C=NNC(=O)C[N+](C)(C)C)cc1F	1326863554	NMXDHGJRHPIOIK-UHFFFAOYSA-O	309.409	1.828	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1ccccc1COC1CCOCC1	1324553816	FNDHYDCRZMASPJ-UHFFFAOYSA-N	317.349	1.257	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1cccc(OC(F)(F)F)c1	1320346801	GKARHPVSYIUSAP-UHFFFAOYSA-N	307.228	1.120	50	20	DDGD	
CCn1cc(CNC(=O)NNc2ccc(C(C)(C)C)nn2)nn1	1327548493	HEDNSBAPEIIQHE-UHFFFAOYSA-N	318.385	1.212	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)C1CCNCC1)C1CCCCC1	1327469620	BGHSNQHDJBNABS-CQSZACIVSA-N	310.442	1.675	50	20	DDGD	
O=C(NNc1ncccc1F)[C@H]1CCCN(CC(F)F)C1	1329510767	YQAUUORPNYPIFM-VIFPVBQESA-N	302.300	1.641	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)c1cnc(Cl)cc1Cl	1324731831	YKRIOZQGSMBSLO-UHFFFAOYSA-N	312.178	1.354	50	20	DDGD	
CC[C@@H](NCc1ccccc1B(O)O)c1cc(F)ccc1OC	1335559768	GEXRDNVGLWBURO-MRXNPFEDSA-N	317.169	1.755	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1conc1C1CC1	1258221121	OIIGVHITQQBQLC-UHFFFAOYSA-N	311.305	1.285	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccccc1Cl)c1ncnn1C	1255647999	BIDOEJZPXSLBCK-MRVPVSSYSA-N	322.756	1.174	50	20	DDGD	
Cc1nn(C)cc1CC(=O)OC[C@]1(C)C[C@@H]1Br	1263536845	FZXJOXNQMGALGK-JQWIXIFHSA-N	301.184	1.988	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCCC(F)F)cc1F	1263789639	RMAFRQXCARNTIQ-UHFFFAOYSA-N	305.256	1.894	50	20	DDGD	
Cn1nncc1NNC(=O)CCc1nnc(-c2ccsc2)o1	1343974436	NSNHXDIXLOWZNA-UHFFFAOYSA-N	319.350	1.003	50	20	DDGD	
Cc1cccc(C)c1CCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	1261452663	JEKOYRRXRMGGLF-UKRRQHHQSA-N	319.405	1.601	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C1CCOCC1)c1ccc(F)c(F)c1	1353030260	OGBCOTALLDHGMT-SECBINFHSA-N	312.316	1.642	50	20	DDGD	
COC1(CNC(=O)NNc2ncncc2F)CCCCCC1	1358183573	WIFPOMMRHATUDE-UHFFFAOYSA-N	311.361	1.981	50	20	DDGD	
CCCc1ccc(C(=O)CCC(=O)NN(C)[C@H](C)CO)cc1	1352229525	KMYCGGYJFQDFGW-CYBMUJFWSA-N	306.406	1.946	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)N[C@@H]1C[C@@H]2CC[C@H]1O2	1520166214	QXSLBYQCAOXEPW-XXILOJSOSA-N	309.753	1.604	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NCCCCC(=O)O)nn1	1602922939	GWBMTWPKPXYXHH-UHFFFAOYSA-N	309.370	1.655	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)/C=C/c2cc(C(=O)O)co2)n1	1608275620	NTFHAUCWJOZWOQ-OWOJBTEDSA-N	323.696	1.160	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CC[C@H](C(=O)O)[C@@H]2CCCC[C@H]21	1605616838	UAQOVKOKZUNWCS-RDXWKTGZSA-N	306.362	1.922	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2ncccc2C(=O)O)nn1C	1603099422	IQOGKRHOVNJWFV-UHFFFAOYSA-N	303.322	1.394	50	20	DDGD	
O=C(NN=C1CC[C@@H](C(=O)O)C1)c1cncn1-c1ccccc1	1601552019	FXVXTIQBSPIUGI-LLVKDONJSA-N	312.329	1.843	50	20	DDGD	
CO[C@H](C)C(C)=NNC(=O)[C@H]1CCCO[C@@H]1c1ccnn1C	1549321702	VKEJAZBBYGSXIW-DYEKYZERSA-N	308.382	1.415	50	20	DDGD	
CNc1cccc(C(=O)NNC(=S)Nc2ccccn2)c1	1578764821	WFYBMJQDNMCLHD-UHFFFAOYSA-N	301.375	1.755	50	20	DDGD	
NCCN(CC(=O)NNc1ccc(F)cc1)Cc1ccccc1	1580306333	QIAXYJXSJDOMER-UHFFFAOYSA-N	316.380	1.730	50	20	DDGD	
N[C@H]1CC=C(C(=O)NNC(=O)c2cccc(OC(F)F)c2)C1	1580168540	LKHQVGSYUGZBLX-JTQLQIEISA-N	311.288	1.097	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H]1CCCO1)C2	1845164632	QYVAZLRGCCYOBK-NWDGAFQWSA-N	314.813	1.386	50	20	DDGD	
C[C@@H]1CN(C(=O)/C(C#N)=C/c2ccc(F)cc2)C[C@@H](C(=O)O)O1	1599851854	SNAAMHVOQFLWBS-YDLVVSFTSA-N	318.304	1.433	50	20	DDGD	
CC1(C)CC[C@H](CNC(=O)NNc2cccc(C(=O)O)c2)O1	1593878717	XINVKIYROIGKQP-GFCCVEGCSA-N	307.350	1.969	50	20	DDGD	
CN(C)c1cc(NC(=O)NNc2cccc(C(=O)O)c2)ccn1	1598307502	WRQVBSZLBBKIOR-UHFFFAOYSA-N	315.333	1.994	50	20	DDGD	
C[C@@H]1CNC[C@H]1CCNC(=O)NNc1cccc(C(=O)O)c1F	1599872674	BUVYKNDSMPVDBE-NXEZZACHSA-N	324.356	1.396	50	20	DDGD	
COCC(C)(C)CNC(=O)NNc1ccc(F)c(C(=O)O)c1	1599145289	OAGPKPNYOXKZTF-UHFFFAOYSA-N	313.329	1.823	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1cnc2n1CCCCC2	1595262203	UVYZMDZEZHDLBL-UHFFFAOYSA-N	315.333	1.460	50	20	DDGD	
CCc1cc(NC(=O)NNc2cccc(C(=O)O)c2F)n(C)n1	1597483034	DMDTUQOOYYDOGU-UHFFFAOYSA-N	321.312	1.968	50	20	DDGD	
CSSCCNS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)O	1599804900	VWRIPQOARZJSLE-RKDXNWHRSA-N	313.466	1.560	50	20	DDGD	
C[C@@H](Oc1cccc(C=NNC(=O)c2ccon2)c1)C(=O)O	1776105847	HJCCNQGNCQJSMW-SECBINFHSA-N	303.274	1.290	50	20	DDGD	
O=C(NN=Cc1csc(C(=O)O)c1)c1cn2c(n1)CCCC2	1776105364	AZRQDBWLQJWZPU-UHFFFAOYSA-N	318.358	1.743	50	20	DDGD	
CC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncc[nH]1	1794838568	WXZAQTIDZUFPDO-USZNOCQGSA-N	324.812	1.679	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(Cc2c(C)noc2C)CC1	158973648	NOLCDJAXSQTEIA-KAMYIIQDSA-N	318.377	1.380	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)N2CCSCC2)s1	151724808	VZIPDKSJGWVLBY-JTQLQIEISA-N	313.448	1.255	50	20	DDGD	
CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NNc1ccccc1F	153147783	DGVYXRPCTMKYJY-NSHDSACASA-N	317.386	1.233	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCc2ccccc2Cl)[nH]n1	153264673	IBSLWJZRONEVAK-UHFFFAOYSA-N	306.753	1.765	50	20	DDGD	
CN(CC(=O)NNc1ncccc1[N+](=O)[O-])Cc1ccccc1	153629684	PHAIPRWTUPLBBC-UHFFFAOYSA-N	315.333	1.565	50	20	DDGD	
CC(=O)Nc1ccc(Cl)c(C(=O)NNC(=O)NC(C)C)c1	157545260	KHIJRQHTVIVYQQ-UHFFFAOYSA-N	312.757	1.651	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ccc(C#N)cc1)N1CCCC1=O	155602397	BKIQFZXTNQGTNT-OAHLLOKOSA-N	300.362	1.648	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc(OC2CCCC2)cc1	155709690	SHGPJYBJCBGPDT-UHFFFAOYSA-N	320.393	1.722	50	20	DDGD	
Cn1ccnc(NNC(=O)[C@H]2CCCc3sccc32)c1=O	157263653	DWASEVHAYJCGSX-JTQLQIEISA-N	304.375	1.405	50	20	DDGD	
O=C(NNC(=O)c1csc([C@@H]2CCCO2)n1)c1cccnc1	157788341	IPBZINSQBXABKJ-NSHDSACASA-N	318.358	1.464	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c(O)c1	154512203	CDZVUJZYKQQJBV-HNNXBMFYSA-N	312.325	1.465	50	20	DDGD	
O=C(NNC(=O)c1coc(-c2ccccc2)n1)c1ccncc1	154591224	NEKWVAAPIOGLOP-UHFFFAOYSA-N	308.297	1.811	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)nc1	159362865	NDYWMYLYLFEWQW-NSHDSACASA-N	318.377	1.324	50	20	DDGD	
O=C1CN(CCI)[C@H]2CCCC[C@H]2N1	190936552	GFTCKYUJIIZVFO-BDAKNGLRSA-N	308.163	1.164	50	20	DDGD	
C=CCNC(=S)NNC(=O)COc1ccc2ccccc2c1	6819696	JZEBVRYPICZZCS-UHFFFAOYSA-N	315.398	1.900	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1CCc2ccccc2C1	103519174	YSWXLEKMRSYCOB-UHFFFAOYSA-N	310.357	1.423	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCc1ccc(Cl)s1	108928855	UVSLWDHLMUMBMZ-UHFFFAOYSA-N	305.787	1.311	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CCCc2ccccc2)nc1	107474922	HBBMJGYPFUVQDP-UHFFFAOYSA-N	308.341	1.737	50	20	DDGD	
COc1cc(C(=O)NNC(=O)NCC2CC2)ccc1OC(C)C	25089016	RUWCIAVUTRYIAO-UHFFFAOYSA-N	321.377	1.836	50	20	DDGD	
COc1ccc(OCC(=O)NNc2ccc(Cl)nn2)cc1	118501856	XESUDTHRQXAIHA-UHFFFAOYSA-N	308.725	1.661	50	20	DDGD	
C[C@H](OC[C@H]1CCCCO1)C(=O)NNc1nccnc1Cl	114894942	XDGGWPOUOQXYIO-VHSXEESVSA-N	314.773	1.547	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CSc1ccccc1O	179716487	BTEDBBQTQMEADY-UHFFFAOYSA-N	305.359	1.284	50	20	DDGD	
CCOC(=O)NNC(=O)c1sc(-c2cnn(C)c2)nc1C	115315757	LCPLGNHMYCLZFD-UHFFFAOYSA-N	309.351	1.243	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1ccc2c(c1)CCC2	64375568	VCFKYYNJNDVDFQ-UHFFFAOYSA-N	311.407	1.468	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)NC1CCCC1	68283562	JIOLHPMUMYIQHE-IINYFYTJSA-N	319.361	1.488	50	20	DDGD	
CC(C)NC(=O)NNC(=O)C1(c2ccc(F)cc2)CCOCC1	63265388	LYLCYSBPJCOPNO-UHFFFAOYSA-N	323.368	1.613	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)Cn2ccc3ccccc32)CCO1	170927716	XKKGJSIXGUJKLV-GFCCVEGCSA-N	316.361	1.103	50	20	DDGD	
O=C(CC[C@@H]1CCOC1)NNc1nc(-c2ccncc2)no1	175939261	PLPVKEZNMVJCCV-SNVBAGLBSA-N	303.322	1.391	50	20	DDGD	
COc1ccccc1CCC(=O)NNC(=O)Cc1cccnc1	171511218	FCVIEDVOFVGYKW-UHFFFAOYSA-N	313.357	1.413	50	20	DDGD	
O=C(CCc1ccco1)NNC(=O)NCCc1cccs1	65202227	KVTRKJREPOYFII-UHFFFAOYSA-N	307.375	1.847	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C[C@@H]1OCCc2ccccc21	115374617	CNXCFVXRWLDAPT-AWEZNQCLSA-N	314.345	1.183	50	20	DDGD	
N#Cc1cccc(NNC(=O)C(=O)Nc2cccc(F)c2F)c1	119457168	PMUOZKHJDLDMCX-UHFFFAOYSA-N	316.267	1.918	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)C1CCN(C(=O)N(C)C)CC1	118945883	LNBJOSHTVHZZGE-UHFFFAOYSA-N	322.384	1.971	50	20	DDGD	
CCCCCCC(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1	111545387	ZQDYTZZSDFYEMJ-OKILXGFUSA-N	313.442	1.604	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCC2)NNC(=O)NCc1ccco1	65177273	WNBYWKQLQBTSSH-UHFFFAOYSA-N	313.357	1.841	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)C(C)(C)C)NC(=O)C1CCCCC1	171379605	ZUAZTMLHXMFGBC-LLVKDONJSA-N	311.426	1.655	50	20	DDGD	
C#CCCCCC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	179636401	WSHYWLSQKPABPI-LBPRGKRZSA-N	306.337	1.934	50	20	DDGD	
CC(=O)N1CCC[C@H]1C(=O)NNc1ccc(OC(F)F)cc1	122336727	IHVOKLVRGXLOTP-LBPRGKRZSA-N	313.304	1.742	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccc(C)n2C)cc1	180534911	TYWADYWJFLYBQJ-UHFFFAOYSA-N	301.346	1.482	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2cncc(Cl)n2)ccc1F	128318868	XVYUAJLKXXKDTL-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1	71094831	HGKSXARNMOUSCW-MCIONIFRSA-N	304.346	1.089	50	20	DDGD	
COCc1cccc(CC(=O)NNC(=O)c2ccc(C#N)cc2)c1	189064656	DLHPVWIQGMBRHG-UHFFFAOYSA-N	323.352	1.708	50	20	DDGD	
Cc1cc(F)c(S(=O)(=O)NNC(=O)NC(C)C)cc1F	121568096	VUOOGDJJNSPVGC-UHFFFAOYSA-N	307.322	1.174	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1csnc1C	183066118	UFMBYFHRKGCLGH-UHFFFAOYSA-N	319.386	1.854	50	20	DDGD	
CC(C)n1ccc(C(=O)NNC(=O)COCc2ccccc2)n1	78192367	CNGLRQLVGAGIPE-UHFFFAOYSA-N	316.361	1.442	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CCc1nc(-c2ccoc2)no1	120074259	NUPHVHIOZRBGGA-UHFFFAOYSA-N	307.310	1.001	50	20	DDGD	
CCSc1cc(CNC(=O)NNc2cccnn2)ccn1	188416931	RZGZZYRGMVDPRL-UHFFFAOYSA-N	304.379	1.810	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H](C)c2cnn(C)c2C)nc1	188932033	DPBGIWIXBMPEDP-SECBINFHSA-N	304.354	1.519	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)n1	181444682	OEVUFKXCKWVPRE-WDEREUQCSA-N	305.382	1.342	50	20	DDGD	
CC[C@H]1CCCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1	30143123	ZZQAUTMNQJCTQK-LBPRGKRZSA-N	307.369	1.709	50	20	DDGD	
CCS(=O)(=O)C[C@@H](C)NC(=O)NNc1cc(Cl)ccn1	181431329	NHOCKPCAIXSCRO-MRVPVSSYSA-N	320.802	1.184	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2c(C)ccn2C)cc1	188901851	CCEMOGJQGDJKLY-UHFFFAOYSA-N	301.346	1.482	50	20	DDGD	
CCSCc1cc(C(=O)NNC(=O)Cc2ccncc2)no1	186232195	VLIJQVOKSXTHDB-UHFFFAOYSA-N	320.374	1.326	50	20	DDGD	
Cc1ccnc(-n2nccc2NC(=O)NNc2ncccn2)c1	189847150	XWGMPFWWUIVFSD-UHFFFAOYSA-N	310.321	1.514	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cnc(C)nc1C	180551019	XPEPBKNDNWCSEO-UHFFFAOYSA-N	300.318	1.177	50	20	DDGD	
CCC[C@@H]1C[C@@H](C(=O)NNC(=O)Cc2cccnc2)CCO1	180053523	CJWOOTOAJMUBHX-UONOGXRCSA-N	305.378	1.367	50	20	DDGD	
CC(=O)NNC(=O)c1cc2c(F)cc(Br)cc2[nH]1	194491734	ZVGVZZZUROIOSY-UHFFFAOYSA-N	314.114	1.850	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)CCc1ccccc1	132452636	PGAMURJMOXTZOP-HIFRSBDPSA-N	320.389	1.351	50	20	DDGD	
O=C(Cn1c(=O)oc2ccccc21)NNc1ccc(F)cc1	192875703	PJITVWBWEJOLNJ-UHFFFAOYSA-N	301.277	1.877	50	20	DDGD	
Cc1cc(C)cc(NC(=O)C(=O)NNc2nc3ccccn3n2)c1	190619198	SPKDEWWTDKOOFE-UHFFFAOYSA-N	324.344	1.428	50	20	DDGD	
CCn1cc(NC(=O)NNC(=O)COc2ccc(C)cc2)cn1	194295578	ISBGBMODUDGGLK-UHFFFAOYSA-N	317.349	1.443	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCN1CCc2sccc2C1	97216154	LACDQOHRNBHCCW-UHFFFAOYSA-N	324.450	1.483	50	20	DDGD	
CCOC(=O)NN=C(C)c1ccc(OCC(=O)N(C)C)cc1	245284885	UPWSYXVKXPWVOA-UHFFFAOYSA-N	307.350	1.624	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2ccc(O)cc2O)cc1	254382387	AVXLGTCQNPESQU-UHFFFAOYSA-N	300.314	1.935	50	20	DDGD	
CCN1C[C@H](C(=O)NN=c2sc3ccccc3n2C)CC1=O	255470073	ILFYWMQRENZQJK-SNVBAGLBSA-N	318.402	1.040	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)C1CCSCC1	264835192	BIXWKWGXSMPWFN-UHFFFAOYSA-N	312.366	1.495	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H](C)C2CC2)c(OC)c1	264385661	MMAOBKMUVJFPLW-VIFPVBQESA-N	307.350	1.446	50	20	DDGD	
Cc1c(NNC(=O)N[C@H](C)c2nncn2C)cccc1[N+](=O)[O-]	263957706	GXGDPTMLRWMSFD-SECBINFHSA-N	319.325	1.419	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNC(=O)C1CCC1)c1cccc(F)c1	264783141	WAFBVFVFIWILCR-CQSZACIVSA-N	322.384	1.559	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@H]1CCCN1C1CCCC1	269736014	VXRWSERYHYGYOK-CQSZACIVSA-N	304.394	1.193	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)COCc2ccccc2)O1	268194035	SOHRITJDQUHAKP-KBPBESRZSA-N	306.362	1.308	50	20	DDGD	
Cc1csc(CCCCNC(=O)NNC(=O)C2CCC2)n1	264774911	WZHVBBQIGWKMSH-UHFFFAOYSA-N	310.423	1.905	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@@]1(O)CCc2ccccc2C1	367732777	CRKOMXVIHRTAIS-MRXNPFEDSA-N	301.321	1.584	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2nc3ccccc3c(=O)n2C)CCO1	271864983	MILSVRBKABOOGY-GHMZBOCLSA-N	316.361	1.192	50	20	DDGD	
COC(=O)C[C@@H](NC=C(C#N)C#N)c1ccc(OC)cc1OC	271061215	WXGDBUDQVBFPKF-CQSZACIVSA-N	315.329	1.829	50	20	DDGD	
C[C@@H](C(=O)NNc1ccncc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	272601113	UISYPJJDJLEWGB-WCFLWFBJSA-N	316.361	1.088	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1)[C@@H]1CCCCS1(=O)=O	275093903	IQRFFYIERAPWCG-NSHDSACASA-N	302.783	1.750	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H](F)C(F)(F)F)cc1	278548912	GQLRRRFODKGBCB-SNVBAGLBSA-N	308.231	1.422	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cc([N+](=O)[O-])ccc1OC	273520189	PVLLLWFRUONWGD-QMMMGPOBSA-N	310.310	1.802	50	20	DDGD	
C[S@](=O)C1(CNC(=O)NNc2ncccc2F)CCC1	287207532	NLWCRSONTZKORY-FQEVSTJZSA-N	300.359	1.148	50	20	DDGD	
O=C(NNc1ccccc1F)[C@H]1COCCN1C1CCCC1	280111355	AUVGYEFPMSMSMI-OAHLLOKOSA-N	307.369	1.912	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1OC[C@H]2COCC[C@@H]21	289599701	DJFITDAYGRQWPU-GBIKHYSHSA-N	307.306	1.089	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2CCCN2c2ccccc2)n1	373628969	DNKYHSSQWLBAHW-MRXNPFEDSA-N	324.384	1.820	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1occ2c1CCOC2)C1CC1	376022388	CYFBLTWAQZYBJX-MRVPVSSYSA-N	309.391	1.260	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(O)nc(CC(C)C)c1	280869897	BRVKAWIKIDCHPM-UHFFFAOYSA-N	308.407	1.281	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc([N+](=O)[O-])ccc1CC	289810061	NXEFHIDMOIQCBK-UHFFFAOYSA-N	309.326	1.855	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCc1cccc(OC)c1F	284855995	DBXREJQLXQOYTD-UHFFFAOYSA-N	311.382	1.448	50	20	DDGD	
C[C@@](O)(CSc1cccc(F)c1)C(=O)NN=c1cc[nH]cc1	803079170	VAOGUGHTNJXYJP-OAHLLOKOSA-N	321.377	1.629	50	20	DDGD	
C[C@H]1COCC[C@H]1CNC(=O)NNC(=O)c1cccc(C#N)c1	805067500	UURZAJJREMHNGH-FZMZJTMJSA-N	316.361	1.175	50	20	DDGD	
C[C@H](CC(N)=O)C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	296920381	MZZZCMGWNRQWCN-ZCFIWIBFSA-N	300.702	1.203	50	20	DDGD	
CC1=C(C(=O)NNc2cccc(F)n2)[C@@H](C)n2ncnc2N1C	804768837	XATOJWGVBSRJGK-SECBINFHSA-N	317.328	1.240	50	20	DDGD	
COc1ccccc1CONC(=O)NNc1ncccc1F	805444231	ICGVAOFJINOSJC-UHFFFAOYSA-N	306.297	1.987	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1	298883543	UNTFEFFFQZUACM-ZDUSSCGKSA-N	307.325	1.512	50	20	DDGD	
CC1(C)C[C@@H](NC(=O)NNc2ncc(F)cc2F)CCO1	297143817	CSEJKEGOOWYHLO-VIFPVBQESA-N	300.309	1.944	50	20	DDGD	
COc1nc(C(=O)NNC(=O)[C@@H]2CCCO2)cc2ccccc12	294219350	YQZBGDJDSJTUMA-ZDUSSCGKSA-N	315.329	1.183	50	20	DDGD	
CC(C)n1cccc1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	292856920	YMAZXGUUGYNHPI-LBPRGKRZSA-N	313.423	1.175	50	20	DDGD	
COc1ccccc1/C=C/C(=O)NNC(=O)[C@H]1CCCCO1	295783601	SWVKVXPIFUVCBO-ATWMFIQVSA-N	304.346	1.425	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C(C)(F)F	292707054	ODPLYZCWBYXYEL-KWQFWETISA-N	314.288	1.265	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)nc1	803437750	WZSXMDXDXYAYOV-UHFFFAOYSA-N	305.297	1.552	50	20	DDGD	
CN(CC(=O)NNC(=O)Nc1ccccc1)[C@H]1CCSC1	801984942	PQRDNDBGGJHCGT-LBPRGKRZSA-N	308.407	1.277	50	20	DDGD	
CC(=NNC(=O)CC1CC1)c1cccc(NS(C)(=O)=O)c1	814990377	NTLUXIWTAIYLBF-UHFFFAOYSA-N	309.391	1.698	50	20	DDGD	
O=C(NN=C1CCS(=O)CC1)Nc1cc(F)cc(F)c1	815007661	VQGNIMIXYGJLCN-UHFFFAOYSA-N	301.318	1.985	50	20	DDGD	
COC1([C@H](C)NC(=O)NNc2ncccc2C)CCOCC1	817177057	CEHCNJJHXJUEMP-LBPRGKRZSA-N	308.382	1.600	50	20	DDGD	
COc1ccc(OCC(=O)NN=C(C)Cn2cccn2)cc1	814720455	PZFQXXJCIIEDJJ-UHFFFAOYSA-N	302.334	1.463	50	20	DDGD	
C[C@@H]1C(=NNC(=O)c2ccnc(N(C)C)c2)CC[C@H]1CC(=O)O	814844494	LDBFXLGOMFIBAM-QWRGUYRKSA-N	318.377	1.754	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)O)[nH]1)Nc1ccc2c(c1)OCO2	814992779	OYJZXDNGIIQEPA-UHFFFAOYSA-N	316.273	1.597	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cccc(O)c1Cl	814864809	IYZAMNYPKOUWFR-SECBINFHSA-N	300.742	1.547	50	20	DDGD	
CC(C)[C@H]1CC(=NNC(=O)[C@H]2CCS(=O)(=O)C2)CS1	814782174	SAWDMIHQCOLNLF-GXSJLCMTSA-N	304.437	1.055	50	20	DDGD	
COC(=O)c1ccc(C(C)=NNC(=O)Cc2cc[nH]n2)cc1	814955615	ONRQZZGKSJIZCU-UHFFFAOYSA-N	300.318	1.279	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccc(Cl)nc2)n1	810155393	SRHFJPSDMJIWAL-UHFFFAOYSA-N	301.693	1.076	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc([N+](=O)[O-])c(C)cc1C	817525130	JJVPBBCSKTYUCQ-UHFFFAOYSA-N	308.338	1.956	50	20	DDGD	
CC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)c1c[nH]nc1C	814752891	JCVNPLDAHLRVDH-UHFFFAOYSA-N	302.294	1.363	50	20	DDGD	
Cc1nnc(-c2ccc(C(=O)NNc3ncncc3F)cc2)o1	817083127	XYIICKRDOJHDJT-UHFFFAOYSA-N	314.280	1.731	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H]2CCCc3nn[nH]c32)cc1	816821319	VIVBQLXEUZHTMB-LBPRGKRZSA-N	313.361	1.248	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C1CC[C@H]1C1CCC1	814873770	PMUFWGXWIHEBBJ-ZDUSSCGKSA-N	300.362	1.494	50	20	DDGD	
Cc1noc([C@H](C)NC(=O)NNC(=O)c2cccc(Cl)c2)n1	726280310	SZXNSOIHWYDYRK-ZETCQYMHSA-N	323.740	1.737	50	20	DDGD	
Cc1ccccc1C(=O)NN=Cc1ccccc1-c1nn[nH]n1	826306066	PFGCQALQRYHXAE-UHFFFAOYSA-N	306.329	1.939	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)CNc2ccc(C)cc2)cn1	728962401	SPCDFYVCHOLZFV-UHFFFAOYSA-N	308.341	1.244	50	20	DDGD	
Cc1cccc(C[C@H](CO)NC(=O)/C(C#N)=C/c2cnn(C)c2)c1	491177158	UTCUATNGMPBSDX-DYFCPDHGSA-N	324.384	1.355	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCCC(=O)NC(C)C)c(O)c1	729523520	IYTBBPIFANVDFZ-UHFFFAOYSA-N	321.377	1.157	50	20	DDGD	
CC[C@H](c1ccncc1)N(C)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	827298392	IJOBIVCUOJKMBX-FPMFFAJLSA-N	320.393	1.630	50	20	DDGD	
Cc1cnc(C=NNC(=O)CCNC(=O)OC(C)(C)C)s1	496910122	OEMBZDQWKRSELA-UHFFFAOYSA-N	312.395	1.816	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCOC[C@@H](C3CCC3)C2)cn1	491009270	JQPIESMIEGYVPR-NHKNYXOTSA-N	314.389	1.602	50	20	DDGD	
C#CCCN(CC(F)(F)F)C(=O)/C(C#N)=C\c1cnn(C)c1	491086605	UQINCJLCOATPTK-SDQBBNPISA-N	310.279	1.741	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCCCOc1cccc(C#N)c1	823959667	NOOAAQGSIFCAQK-CYBMUJFWSA-N	305.378	1.451	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCc1ccc(C(N)=O)o1	490912584	XNCLBDPEHZMHKT-YRNVUSSQSA-N	311.297	1.307	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)CC(=O)NC)cc1	491048943	MAWSFXYGMUBUSJ-GVIGZQTCSA-N	315.373	1.633	50	20	DDGD	
COC(=O)[C@@H](C)Oc1ccccc1C=NNC(=O)CC1CC1	901248088	QSRNSDHDWFQGPT-LLVKDONJSA-N	304.346	1.877	50	20	DDGD	
CC(C)(C)c1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)s1	585057825	LLTGWMFZZHGSQM-SECBINFHSA-N	317.241	1.283	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cn1	491162563	SFKLGGSQFFRJEL-ROWADEJNSA-N	314.389	1.743	50	20	DDGD	
CCC1(CNC(=O)c2cc(B(O)O)ccc2F)CCCCC1	584976064	PQWVVNOQOFDTQS-UHFFFAOYSA-N	307.174	1.596	50	20	DDGD	
CCOCCO[C@H]1CCN(C(=O)[C@]2(C)C[C@@H]2Br)C1	907099534	ALBCXFICPVZEJV-GMXVVIOVSA-N	320.227	1.814	50	20	DDGD	
CC1=NO[C@@](C)(C(=O)NNC(=O)C(C)(C)c2ccccc2)C1	903234783	RDLDEPBNMLTPLS-MRXNPFEDSA-N	303.362	1.667	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC[C@H](CC(C)(C)C)C1	827259591	KUCOXBYRQMAFPQ-YNEHKIRRSA-N	311.426	1.910	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(C(=O)Nc2ccccc2)cc1	495326620	OFVMQASAQASDGT-UHFFFAOYSA-N	313.313	1.940	50	20	DDGD	
O=C(NNc1ncccn1)c1cccc(Br)c1O	730275800	YVEGJKHHIRSYKT-UHFFFAOYSA-N	309.123	1.702	50	20	DDGD	
C[C@H]1CC(=O)CC[C@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1	824869135	YNZFNESYYVMWRQ-TVQRCGJNSA-N	314.349	1.315	50	20	DDGD	
CN(NC(=O)[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C)C1CC1	823251216	SYRSRTQOLIGYAX-YNEHKIRRSA-N	309.410	1.900	50	20	DDGD	
COC(=O)NN=C(C)c1cccc(N2CCCS2(=O)=O)c1	491635891	YSAQKGCJFYEQHV-UHFFFAOYSA-N	311.363	1.307	50	20	DDGD	
Cc1csc(CCCCNCc2ccccc2B(O)O)n1	585019657	DPDRPXWRMLHNKL-UHFFFAOYSA-N	304.224	1.244	50	20	DDGD	
C[C@]1(C(=O)N2CCN([C@@H]3CCOC3)CC2)C[C@@H]1Br	906976526	PQTUDFYEEINARO-MDZLAQPJSA-N	317.227	1.093	50	20	DDGD	
Cc1nn(C(C)C)c(C)c1S(=O)(=O)NNC(=O)C(C)(C)C	734417511	ANYMFKGHDBRRFB-UHFFFAOYSA-N	316.427	1.436	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCSC2(CCCCC2)C1	584960903	NPQQRGQYVNNHDQ-UHFFFAOYSA-N	319.235	1.258	50	20	DDGD	
O=S(=O)(CCl)N1CCN(Cc2ccccc2Cl)CC1	830888940	KTVJELNWHWODMJ-UHFFFAOYSA-N	323.245	1.984	50	20	DDGD	
C[C@H](NCc1ccccc1B(O)O)[C@@H](O)c1ccc(Cl)cc1	585025200	OBEKCIFYPGEJLW-MEDUHNTESA-N	319.597	1.232	50	20	DDGD	
O=C(C[C@H]1C[C@H]2CC[C@H]1O2)NNC(=O)c1ccc2c(c1)OCO2	836202193	LGHFPZOOYNLADG-IJLUTSLNSA-N	318.329	1.134	50	20	DDGD	
Cc1cc(CCNCc2ccc(B(O)O)cc2F)c(C)s1	585023457	ILASGAWAEOYAOS-UHFFFAOYSA-N	307.199	1.516	50	20	DDGD	
C[C@]1(C(=O)NCCc2ccc(O)c(O)c2)C[C@@H]1Br	907057926	TWEGIWUXUZOSTQ-AAEUAGOBSA-N	314.179	1.930	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNc1ccc(F)c(F)c1F	839633868	XKEDLJHYXJCPKH-SSDOTTSWSA-N	303.284	1.695	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)NCCOCCN(C)C	838564225	BXNNENKDSCVBMV-UHFFFAOYSA-N	314.817	1.853	50	20	DDGD	
C[C@](O)(CC(=O)NNc1cccc(Br)n1)C1CC1	837210995	BUYAILVNIMNHSB-LBPRGKRZSA-N	314.183	1.838	50	20	DDGD	
CC(=NNC(=O)C1CCOCC1)c1ccnn1CC1CCC1	901276251	JHFHESDLHNQKRB-UHFFFAOYSA-N	304.394	1.950	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)c1[nH]c(C)c(C(=O)O)c1C	738373943	PNIICODBPMSBAK-UHFFFAOYSA-N	322.346	1.169	50	20	DDGD	
CN(C)C1(C(=O)NNc2nnc(-c3ccccn3)s2)CC1	834289719	DONFIZXKNFWPOG-UHFFFAOYSA-N	304.379	1.137	50	20	DDGD	
CC(C)(C)c1ocnc1-c1nc(-c2cccc(B(O)O)c2)no1	585052716	VKPURBRWIMQQSG-UHFFFAOYSA-N	313.122	1.369	50	20	DDGD	
CC1(C)CCC[C@H]2CN(C(=O)c3cccc(B(O)O)c3)CC[C@H]21	584994072	CTMZHEOAXFNOKA-GOEBONIOSA-N	315.222	1.655	50	20	DDGD	
CSCCNC(=S)NNC(=O)C(C)(C)N1CCCCC1	907197670	WEDFKHYETNBBCH-UHFFFAOYSA-N	318.512	1.109	50	20	DDGD	
CC(=NNC(=O)C1CCC1)c1cn(CC(=O)OC(C)(C)C)nn1	834956643	BGBKCWJHRLLDFO-UHFFFAOYSA-N	321.381	1.260	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CN2[C@H](C)CC[C@H]2C)c1F	837060073	HOHLQRMOGTWWFS-GHMZBOCLSA-N	323.368	1.928	50	20	DDGD	
COc1ccc(C)cc1CC(=O)NNC(=O)c1c[nH]nc1C	732086828	JXBQIIBQWSRKPV-UHFFFAOYSA-N	302.334	1.039	50	20	DDGD	
CC[C@H]1CCCN1CC(=O)NNC(=O)Cc1ccccc1C	839478397	FIVQZDNBSWIPGV-HNNXBMFYSA-N	303.406	1.559	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cc2c(C)noc2C)c(F)c1	837209423	ALKVJGHASKBFHY-UHFFFAOYSA-N	321.308	1.903	50	20	DDGD	
COC(=O)c1cc(C)cc(C(=O)NNC(=O)CC(F)(F)F)c1	839555875	HRVCDTHXHYRIBY-UHFFFAOYSA-N	318.251	1.495	50	20	DDGD	
CON(C)C(=O)CCC(C)=NNC(=O)Cc1ccc(F)cc1	834931293	XELWWDSTPVUPRG-UHFFFAOYSA-N	309.341	1.660	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2=CC[C@H](C)CC2)cc1	836236609	XWNWTCCGWLVNFD-NSHDSACASA-N	315.373	1.827	50	20	DDGD	
CCOc1nc(C(F)(F)F)ccc1C(=O)NN(C)C[C@H](C)O	910151374	AVHIXMJRMDOBAZ-QMMMGPOBSA-N	321.299	1.457	50	20	DDGD	
CC1(C)CNC(=O)[C@@H]1NS(=O)(=O)c1ccc(CCl)cc1	917626088	SNLLQCAPTHTOEX-NSHDSACASA-N	316.810	1.228	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccc(CO)cc2)cc1	915771890	RJKHSRIUSOIDOF-UHFFFAOYSA-N	314.341	1.327	50	20	DDGD	
O=C1C[C@H](CNC(=O)NNc2cccc(Cl)c2Cl)CN1	840396257	MNHCURXZVODZTQ-ZETCQYMHSA-N	317.176	1.756	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@@H](OC2CCC2)C1)C1CCCC1	848658863	ANBGPWJITRTDLS-CQSZACIVSA-N	309.410	1.951	50	20	DDGD	
O=C(NNC(=O)c1cccc2ccccc12)N[C@H]1[C@@H]2CNC[C@@H]21	841999097	AJDCEUYMHCTSBM-FICVDOATSA-N	310.357	1.002	50	20	DDGD	
N[C@H]1CCC[C@@H](NC(=O)NNc2cc(F)c(F)c(F)c2)C1	841983509	SZYHTFSESNYVOV-JGVFFNPUSA-N	302.300	2.000	50	20	DDGD	
COCc1nc(C(=O)NNc2cccc([N+](=O)[O-])c2)cs1	747995130	PFEZRJLHOHDUOG-UHFFFAOYSA-N	308.319	1.955	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CC1(C#N)CCCCC1	849907016	PCEZCRRJBRIMBZ-NSHDSACASA-N	309.366	1.340	50	20	DDGD	
CCCC(=O)N1CSC[C@H]1C(=O)NNc1ccc(OC)cc1	746883406	RFGXITBHJFDNCD-ZDUSSCGKSA-N	323.418	1.840	50	20	DDGD	
Cn1cc(CC(=O)NNC(=O)CC(F)(F)F)c2ccccc21	744326241	GLSHYAMCEAETBC-UHFFFAOYSA-N	313.279	1.821	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)N[C@H]2CCS(=O)(=O)C2)C[C@@H](C)C1	747753655	LDHPECXDUMKFGS-DCAQKATOSA-N	301.412	1.285	50	20	DDGD	
CN(C)CC[C@@H](N)C(=O)NNc1c(Cl)cccc1Cl	846670007	TURIDIMFVMBAJC-SNVBAGLBSA-N	305.209	1.716	50	20	DDGD	
C[C@H](NC(=O)C1CCCC1)C(=O)NNc1cccc(C#N)c1	748042039	YEXPNHKNKYRILC-NSHDSACASA-N	300.362	1.696	50	20	DDGD	
CC[C@H](OC1CCCCC1)C(=O)NNC(=O)c1ncccn1	841350448	KLPTUBNILNABHP-LBPRGKRZSA-N	306.366	1.366	50	20	DDGD	
O=C(NN=Cc1c[nH]c2cc(Cl)ccc12)C(=O)N1CCCC1	748136899	WHLMDPWZICLAHU-UHFFFAOYSA-N	318.764	1.894	50	20	DDGD	
COc1ccccc1CC(=O)NN=C(C)c1cc2n(n1)CCC2	841620348	HDNSFNMZGSMIPH-UHFFFAOYSA-N	312.373	1.921	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccc([S@@](C)=O)cc2)n1	743486105	YRCIJFPVUNBQDF-JOCHJYFZSA-N	319.390	1.037	50	20	DDGD	
Cn1ncc2c1C[C@@H](C(=O)NNc1nc3ccccc3n1C)CC2	848380505	IEUVTRROVOYFJM-NSHDSACASA-N	324.388	1.555	50	20	DDGD	
CN(C)[C@@H](C(=O)NNC(=O)C1CC1)c1c(F)cccc1Cl	740749423	YQXXVCDCVZLDCK-GFCCVEGCSA-N	313.760	1.639	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CC1(CSC)CC1	845348550	PLQACWRGZBTYQL-VIFPVBQESA-N	302.396	1.009	50	20	DDGD	
COC[C@@H](C)CNC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	743588788	JFSBLVVCUKEOTG-NSHDSACASA-N	323.397	1.371	50	20	DDGD	
C/C(=C\C(=O)NNc1ccccc1S(N)(=O)=O)C(C)(C)C	842261478	LDHKSLIGQQLCHF-MDZDMXLPSA-N	311.407	1.770	50	20	DDGD	
Cc1ccc(C)c(SCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	843645054	QHHSWBPIRCGEJZ-CHWSQXEVSA-N	322.430	1.968	50	20	DDGD	
Cc1ccc([C@@H](C)C(=O)NNC(=O)COc2ccccc2O)o1	742654656	WXXDSDWSXZGKGN-LLVKDONJSA-N	318.329	1.624	50	20	DDGD	
CCOC(=O)NNC(=O)Cc1ccc2c(c1)OC(F)(F)O2	845074605	UBFMLTHOAHCIAR-UHFFFAOYSA-N	302.233	1.328	50	20	DDGD	
C[C@H](Cc1cnc[nH]1)C(=O)NN=c1sc2ccccc2n1C	847314875	AHWMYCGQXFEVFD-SNVBAGLBSA-N	315.402	1.774	50	20	DDGD	
CON1CCC(NC(=O)NC[C@]2(C)C[C@H]2Br)CC1	856866278	XGESFGZTRUNUJC-PWSUYJOCSA-N	320.231	1.485	50	20	DDGD	
CN(CC(=O)NNC(=O)OC(C)(C)C)c1ccc(Cl)cn1	920402613	HEDXGBYZFVYXAN-UHFFFAOYSA-N	314.773	1.727	50	20	DDGD	
CCc1ccc(-c2cc(C(=O)NN=Cc3cn(C)nn3)n[nH]2)cc1	755790513	LPZREXDYLXPFIT-UHFFFAOYSA-N	323.360	1.532	50	20	DDGD	
Cc1ccn2ncc(C(=O)NNC(=S)N[C@@H](C)C3CC3)c2c1	855099469	ZUBYVGRSGKIGNF-JTQLQIEISA-N	317.418	1.550	50	20	DDGD	
CO[C@@](C)(C(=O)NNc1ncccc1F)C(=O)OC(C)(C)C	854415232	DSBWGSKIJZLNBM-AWEZNQCLSA-N	313.329	1.411	50	20	DDGD	
Cc1nc(Br)sc1C(=O)NNC(=O)C1CC1	854181084	TZGDLRNULSYARN-UHFFFAOYSA-N	304.169	1.385	50	20	DDGD	
CC[C@@H](C)C(=O)NN=C1CCN(Cc2ccc(OC)cc2)C1=O	853291267	DRDZBPNZFPVQQB-GFCCVEGCSA-N	317.389	1.946	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@H](C)c1nnnn1C1CC1	854018061	FEJIRAROOXTCBT-SECBINFHSA-N	319.344	1.843	50	20	DDGD	
Cn1cc(C=NNC(=O)CC(F)(F)F)c(-c2ccncc2)n1	920373969	SSLNXXNEJGOIMA-UHFFFAOYSA-N	311.267	1.885	50	20	DDGD	
CCC(=NNC(=O)COc1ccc(C#N)cc1)c1ccn(C)n1	758074246	QTRNPFXDHROEKL-UHFFFAOYSA-N	311.345	1.601	50	20	DDGD	
CCN1CCC[C@@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)C1=O	928875143	PJISGHVWWMIALF-VSKPTYQZSA-N	315.348	1.860	50	20	DDGD	
CN(C)[C@H](C(=O)NNc1cnnn1C)c1cccc(Cl)c1	857271746	XMOZFZLGMMODQL-LBPRGKRZSA-N	308.773	1.215	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H]1C[C@H]1c1cccc(C)c1	858781760	KJRORZKBWBNGDH-UONOGXRCSA-N	305.378	1.465	50	20	DDGD	
C[C@@H]1CCCN1C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	852590437	NPMMTJFSOXBEKN-LLVKDONJSA-N	312.414	1.154	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H](C)c1ccccc1	854283913	PDOLVIHHUUALIK-LBPRGKRZSA-N	309.435	1.664	50	20	DDGD	
C[C@@]1(CNC(=O)N2CCC(CCO)CC2)C[C@@H]1Br	856957052	YVFAELZAEKNOPA-AAEUAGOBSA-N	319.243	1.964	50	20	DDGD	
Cn1cc(CC(=O)OC[C@H](CBr)C2CC2)cn1	859535977	STOBIOOOXJWMET-NSHDSACASA-N	301.184	1.927	50	20	DDGD	
CC(=O)N[C@H](CCC(C)C)C(=O)NNc1nccnc1Cl	857127977	YMUUUQGZBILRJI-SNVBAGLBSA-N	313.789	1.514	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@H]1CCc2n[nH]cc2C1	856879225	KPZJXUXKVBRABG-VIFPVBQESA-N	307.745	1.037	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](C)[C@H](C)N2CCOCC2)cc1F	853687212	MGNNHYBOTWXXQQ-OLZOCXBDSA-N	324.400	1.869	50	20	DDGD	
CCN1C[C@H](NC(=O)NC[C@@]2(C)C[C@H]2Br)CC1=O	856862050	QTYAYQKTPURQGL-KBVBSXBZSA-N	318.215	1.080	50	20	DDGD	
C[C@H]1CN(C(=O)OC(C)(C)C)CC1=NNC(=O)c1ccnnc1	863118575	BECJJGCRIUWWIM-JTQLQIEISA-N	319.365	1.449	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1c[nH]c2ncccc12	863094520	MDJXAXKYYIIGIV-UHFFFAOYSA-N	308.210	1.995	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1c2c(nn1C)CCCC2	932176167	WLMPAJIPNCJCKW-UHFFFAOYSA-N	303.366	1.255	50	20	DDGD	
O=C1NCCC[C@@H]1C(=O)NNc1cccc(Cl)c1Cl	868856216	DMTKNXYZIIEVFX-ZETCQYMHSA-N	302.161	1.963	50	20	DDGD	
O=C(CSCc1ccc(F)cc1)NNC(=O)c1ccncc1	865889082	DKXRBJWCQOTSFH-UHFFFAOYSA-N	319.361	1.915	50	20	DDGD	
Cc1cc(-n2cncn2)ccc1C(=O)NN[C@H](C)C(F)(F)F	862311759	STFSHFTXAYTKHY-SECBINFHSA-N	313.283	1.761	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCc1ccc(F)cn1	764374886	NOQCMZOOPIDFNY-UHFFFAOYSA-N	320.299	1.433	50	20	DDGD	
COC[C@@H]1CCCN1NC(=O)/C(C#N)=C/c1ccc(F)cc1	862603764	UKWJLCKOBKECPZ-GLNPCMGASA-N	303.337	1.875	50	20	DDGD	
CC(C)(C)OC(=O)CCC(=O)NNc1ncncc1Cl	765536431	MOBLJSOCDXTBEX-UHFFFAOYSA-N	300.746	1.695	50	20	DDGD	
CC[C@@H](OC1CCCC1)C(=O)NNC(=O)Cc1cc(C)[nH]n1	869012145	HYBJOPRKPQEGMO-CYBMUJFWSA-N	308.382	1.146	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1ccc(O)c(F)c1	767933243	ZOPBLBISHIOKHH-UHFFFAOYSA-N	302.305	1.925	50	20	DDGD	
CC[C@@H]1C[C@H](C)CCC1=NNC(=O)[C@@H](C)NS(C)(=O)=O	769573264	BMIMXCQSESYSHL-GMTAPVOTSA-N	303.428	1.243	50	20	DDGD	
O=C(NN=C1CCN2CCC[C@@H]12)c1nnc(O)c2ccccc12	765560722	UPRRLCYIMVFGMW-ZDUSSCGKSA-N	311.345	1.289	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1ccccc1OC(C)(C)C	763817847	YFGTZXWYRBZQKJ-UHFFFAOYSA-N	321.377	1.606	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1ccccc1F)c1ccc[nH]1	760344674	CLRUKGMSECMSBN-JTQLQIEISA-N	304.325	1.788	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1)c1cscn1	767900771	WVHFFBOQTTZNKE-WOPDTQHZSA-N	324.450	1.729	50	20	DDGD	
CC(=O)NCCNC(=O)NNc1nc2c(C)cccc2s1	867954370	KLCBXJAZGAQTTG-UHFFFAOYSA-N	307.379	1.367	50	20	DDGD	
CCCOc1ccc(NC(=O)NNC(=O)CN(C)C)cc1C	861623800	FYGUSHJMPBQKKO-UHFFFAOYSA-N	308.382	1.498	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)n1	764517493	XQGOOLNRRYRSQR-MNOVXSKESA-N	323.397	1.705	50	20	DDGD	
Cc1ccc(CO[C@H](C)C(=O)NNC(=O)[C@H]2CCCCO2)cc1	861851916	BGGPIFKKBRBWEW-UKRRQHHQSA-N	320.389	1.617	50	20	DDGD	
Cc1csc(CCC(=O)NNC(=S)Nc2ccccn2)n1	768232227	LABYXMRIUXXKSU-UHFFFAOYSA-N	321.431	1.797	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CSc2ccccc2O)nc1	764234045	GMUCACPXLDSFKN-UHFFFAOYSA-N	317.370	1.649	50	20	DDGD	
C[C@]1(CNc2cc(C(N)=O)nc(Cl)n2)C[C@@H]1Br	872612962	SNRPCDVXPMFKHT-QUBYGPBYSA-N	319.590	1.814	50	20	DDGD	
C[C@H]1CN(C(=O)c2ccc(CNC(=O)CCl)cc2)C[C@H](C)O1	1116433947	GYPLFPORXAYRRE-RYUDHWBXSA-N	324.808	1.791	50	20	DDGD	
O=C(NNC(=O)c1cnc([C@H]2CCCO2)s1)c1ccccn1	760223997	REVLJCJTQVXNSF-SNVBAGLBSA-N	318.358	1.464	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNc1nccnc1Cl)C(C)C	878857929	UKGLXJCOUKQPJL-QMMMGPOBSA-N	300.746	1.408	50	20	DDGD	
CC(C)c1ccc(C(=O)NNc2nncc(N)c2Cl)cn1	1116328212	VSXTUYJZBUXPLT-UHFFFAOYSA-N	306.757	1.988	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](Oc2ccc(F)cc2)C1	879997258	YQGWCWVRYPLJSV-FZMZJTMJSA-N	323.368	1.225	50	20	DDGD	
NC(=O)C(=O)NN=C1CCC[C@H]1c1ccc(C(F)(F)F)cc1	776758451	PKKFEEHRDSVPGT-JTQLQIEISA-N	313.279	1.930	50	20	DDGD	
CCN(CC)CC(=O)NNC(=S)Nc1cc(C)ccc1F	874947031	DBGADPZEDOELPY-UHFFFAOYSA-N	312.414	1.794	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@H](F)Cc1ccccc1	777974929	BFTNXWGWXGOHLK-CYBMUJFWSA-N	305.309	1.691	50	20	DDGD	
Cn1cc(C(=O)NNc2ncncc2F)c(-c2cccnc2)n1	1117765726	BVVLQPUHFXIZJL-UHFFFAOYSA-N	313.296	1.168	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=CC2CCN(C)CC2)n1	872328395	ZDKXDUMMLQPCTO-UHFFFAOYSA-N	321.450	1.629	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)CCn2cccc2)c1	776529398	IRRRDLUPCFKHCD-UHFFFAOYSA-N	307.375	1.425	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C(CC)(CC)CO)c1	874952338	RTXXFEQJPINJMI-UHFFFAOYSA-N	319.430	1.784	50	20	DDGD	
CC(C)[C@H]1C[C@@H](CC(=O)NNC(=O)C2CCOCC2)CCO1	883068228	MKSLRBKZYGOMKY-GXTWGEPZSA-N	312.410	1.402	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)Cc2ccc(Cl)cc2)CCO1	776339891	VQEFUGWCSFLLKY-JQWIXIFHSA-N	310.781	1.845	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCc1cccc2c1OCO2	770214218	OXHKTRPOHWLPCZ-UHFFFAOYSA-N	307.375	1.029	50	20	DDGD	
Cc1cccc(C)c1C(=O)NNc1nc(O)c2cnn(C)c2n1	770975510	ZEGGXQQKRYMVNB-UHFFFAOYSA-N	312.333	1.443	50	20	DDGD	
CCOc1ccccc1CNC(=O)NNC(=O)C1CCOCC1	883180457	CVDIZGUDLOXUBI-UHFFFAOYSA-N	321.377	1.342	50	20	DDGD	
CCN([C@@H](C)C(=O)OC(C)(C)C)S(=O)(=O)CCCCl	882383756	KEPCJEDIZGISIG-JTQLQIEISA-N	313.847	1.997	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)c1ccc(C(N)=O)cn1	788188542	JJXKTGJFVJHZSJ-UHFFFAOYSA-N	304.281	1.085	50	20	DDGD	
CN(C)[C@@H]1CCC[C@@H](NC(=O)NNc2ccc(C#N)cn2)C1	888488117	ZXHGXWBXPMBEDP-CHWSQXEVSA-N	302.382	1.452	50	20	DDGD	
CC(C)(C)c1csc(NC(=O)C(=O)NNc2ccccn2)n1	789721527	PNOCYZASDYZTQV-UHFFFAOYSA-N	319.390	1.917	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1cccc(OC)c1Cl	887151639	FKRVXTYALLONMS-UHFFFAOYSA-N	308.765	1.842	50	20	DDGD	
C#CCCOc1ccc(C(=O)NNC(=S)NC(C)(C)C)cc1	899997094	HFXABPDFUVWGFV-UHFFFAOYSA-N	319.430	1.996	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ncc(F)cn2)c(C)c1	784949310	AAVGOEAJHVYSAX-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1cnn(CC2CCC2)c1	896972281	XYYFSGAIEQCJMW-UHFFFAOYSA-N	307.398	1.560	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCc1cc(=O)n2ccsc2n1	786668133	DNQPHYDWPZITCZ-YHYXMXQVSA-N	301.327	1.659	50	20	DDGD	
CC(C)Oc1cc(CNS(=O)(=O)CCCCl)ccn1	882012629	OOEHYWZKNRJZEF-UHFFFAOYSA-N	306.815	1.917	50	20	DDGD	
COCCc1noc(COC(=O)/C(C#N)=C/c2ccccc2)n1	785376883	QSPAKAGBBMDMDT-UKTHLTGXSA-N	313.313	1.909	50	20	DDGD	
Cc1oc(C#N)cc1C(=O)NNC(=O)c1cc(Cl)ccc1O	798106396	DFSZGANIPZCOBD-UHFFFAOYSA-N	319.704	1.894	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)o1	794210405	LQBQHIVHHRDCEB-UHFFFAOYSA-N	323.106	1.317	50	20	DDGD	
CSSCCNC(=O)NNC(=O)c1cccc(C#N)c1	790707637	BJNZOMDMPAUDQO-UHFFFAOYSA-N	310.404	1.513	50	20	DDGD	
Cc1c[nH]nc1C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	799408106	JWWPUCIKBMPVPA-LBPRGKRZSA-N	316.361	1.563	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc2oc(C)nc2c1	795678191	HDHRIHJFRHTVDJ-MRVPVSSYSA-N	319.317	1.239	50	20	DDGD	
Cc1ncc(NC(=O)NNc2ccc3c(=O)[nH]ccc3c2)cn1	794170472	TWKHNCVSOXPMRU-UHFFFAOYSA-N	310.317	1.775	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F	799257345	JCVBQLCAOAGKCP-UHFFFAOYSA-N	308.096	1.238	50	20	DDGD	
COc1ccc(OC)c(S(=O)(=O)NCCSSC)c1	790349330	PMMCWRYQQNPIGZ-UHFFFAOYSA-N	323.461	1.993	50	20	DDGD	
NS(=O)(=O)C[C@H]1CCN(C(=O)c2cccc(CCl)c2)C1	1336095034	OEDTYRWZEBALHH-NSHDSACASA-N	316.810	1.176	50	20	DDGD	
Cc1cc(C)n2ncc(C(=O)NNC(=O)c3ccccc3C)c2n1	1318363303	BEBIEZPYQOAEPW-UHFFFAOYSA-N	323.356	1.729	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c(Br)c1)c1ccccc1	1318559157	IQVSGOIZLCAXQY-UHFFFAOYSA-N	308.135	1.852	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)N[C@H]1C=CCCC1	1323169474	QRWKKUBPWURPJB-NSHDSACASA-N	321.402	1.923	50	20	DDGD	
CC(C)(C)OC(=O)NNS(=O)(=O)c1ccc(CC#N)cc1	1320251666	OMNLFYUCAQNZJK-UHFFFAOYSA-N	311.363	1.471	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@@]2(F)CCOC2)c1	1327168611	SZZYRGQLQWKIOG-CQSZACIVSA-N	310.329	1.352	50	20	DDGD	
COC(=O)c1cnc(C(=O)NNc2ccc(C)c(Cl)c2)cn1	1320123031	RZZWTRCKUHTWAZ-UHFFFAOYSA-N	320.736	1.982	50	20	DDGD	
Cc1cc([C@H](C)NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(C)o1	1325962991	AQWRAHIPHYTWAH-HOSYDEDBSA-N	309.366	1.713	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2conc2C2CC2)c1	1323923656	NWTOZNUJRWWZHY-UHFFFAOYSA-N	321.358	1.712	50	20	DDGD	
CON1CCC(NC(=O)NNc2ccc(C(C)(C)C)nn2)CC1	1328830096	XWVJBHRYPCWRRY-UHFFFAOYSA-N	322.413	1.426	50	20	DDGD	
O=C(C[C@@H]1C[C@H]2CC[C@H]1O2)NNC(=O)c1n[nH]c2c1CCCC2	1325511963	SJXMXRQQXVJDCO-OPQQBVKSSA-N	318.377	1.007	50	20	DDGD	
CC(C)CCOc1ccc(NC(=O)NNC(=O)CCO)cc1	1320280999	YENIWTCVELCTMS-UHFFFAOYSA-N	309.366	1.647	50	20	DDGD	
CC1(CNS(=O)(=O)c2ccc(CCl)cc2)OCCO1	716929737	UDEIXHXSDJARCX-UHFFFAOYSA-N	305.783	1.467	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@H]2CCC[C@H]2OC)cc1	1335959096	CFDYKROMPJYJRB-LSDHHAIUSA-N	320.389	1.590	50	20	DDGD	
CCOc1ccc(C(=O)NNc2cc(Cl)nc(C)n2)cn1	1339911259	YCOZINMBYRIGRB-UHFFFAOYSA-N	307.741	1.989	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)NC[C@@H]2C=CCC2)C[C@H]1Br	1338780743	YRUGNTXISHGGQO-GIPNMCIBSA-N	315.211	1.359	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ncoc1[C@@H]1CCCO1)C1CC1	1261746178	AYOOJLASYUYIKC-SCZZXKLOSA-N	324.406	1.434	50	20	DDGD	
C[C@@H]1[C@@H](C(=O)NNc2nnc(-c3ccccn3)s2)C1(F)F	1263787672	PJXUFSKLBUWRJX-SVRRBLITSA-N	311.317	1.944	50	20	DDGD	
C[C@@H]1C[C@@H]2CC[C@H](C(=O)NNC(=O)NC3CCCCC3)CN2C1	1348423327	AVRZKGRAHVRISA-IPYPFGDCSA-N	322.453	1.770	50	20	DDGD	
C[C@H]1C(=O)NCCCN1C(=O)NC[C@@]1(C)C[C@H]1Br	1341972590	FQAHJLJTMLQSTI-YGOYTEALSA-N	318.215	1.080	50	20	DDGD	
CSCCCCCCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C	1261453593	KJWHMWHXIHKPMR-RYUDHWBXSA-N	317.455	1.665	50	20	DDGD	
CN(C)[C@@H]1CCCC[C@H]1NC(=O)NNc1ncc(Cl)cn1	1347929647	YHQCURQPCLNLSA-GHMZBOCLSA-N	312.805	1.629	50	20	DDGD	
CC(C)[C@@H](CNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)ON	1263131021	KKGZWPRXFCLMEX-SBFPOUOMSA-N	319.243	1.971	50	20	DDGD	
COc1ccc(F)cc1CCNC(=O)NNC(=O)CC(C)C	1353136216	ADYTUARCRJDEQK-UHFFFAOYSA-N	311.357	1.753	50	20	DDGD	
Cc1cc(NC(=O)NNc2cccc(C(=O)O)c2)nnc1C	1607690863	WRFJJSNHNWWHJO-UHFFFAOYSA-N	301.306	1.940	50	20	DDGD	
O=C(O)CCNC(=O)NNc1cccc(F)c1Br	1574709921	RYVNZFUBAJHVCQ-UHFFFAOYSA-N	320.118	1.689	50	20	DDGD	
NCCCC(=O)NNC(=O)c1cc(-c2cccc(Cl)c2)[nH]n1	1580289878	VKUGDYSMTXUMII-UHFFFAOYSA-N	321.768	1.230	50	20	DDGD	
C[C@](C#N)(CC(=O)O)C(=O)NNc1nc2cccnc2s1	1588542162	TUENDKPDIVBBCW-GFCCVEGCSA-N	305.319	1.139	50	20	DDGD	
C[C@@H](NC(=O)c1ccoc1)C(=O)NNc1ccccc1C(=O)O	1593181923	ZGWYRXSOLQRHJR-SECBINFHSA-N	317.301	1.239	50	20	DDGD	
C[C@@H]1CCC[C@@]1(C)C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1590248855	PSLIBYKHTUTOOX-YMTOWFKASA-N	301.354	1.531	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(C(=O)O)c(C)c1	1599161540	MWJGPNVFKFCQCV-ZTFCMROMSA-N	302.330	1.751	50	20	DDGD	
Cc1ccnc(NNC(=O)c2cc(O)cc(-c3nn[nH]n3)c2)c1	1592275741	XBAFASYQBBLJGR-UHFFFAOYSA-N	311.305	1.033	50	20	DDGD	
C[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)CCl	1792886114	HVMAKIKWGYHAQU-YFKTTZPYSA-N	316.829	1.270	50	20	DDGD	
CCCCC(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1	5755930	VMTSNYHSWQCTOM-UHFFFAOYSA-N	312.753	1.834	50	20	DDGD	
CCc1ccc(N2C[C@@H](C(=O)NNC(=O)C3CC3)CC2=O)cc1	15793825	AEUJXRIEKOLSDS-ZDUSSCGKSA-N	315.373	1.159	50	20	DDGD	
COC(=O)NNC(=O)CCc1cc(Br)cs1	158907571	QBLQCAZHQVABIS-UHFFFAOYSA-N	307.169	1.830	50	20	DDGD	
COC(=O)NNC(=O)CCc1nc(-c2ccc(F)c(C)c2)no1	158954118	JKZPWDOMTHMZEC-UHFFFAOYSA-N	322.296	1.504	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnn(-c2ccc(F)cc2)n1	157199764	NSPCMJGTDLJEPX-UHFFFAOYSA-N	320.328	1.151	50	20	DDGD	
CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CC=C(C#N)CC2)C1	272671421	KSRGHMXFTBTJDU-ZDUSSCGKSA-N	321.377	1.305	50	20	DDGD	
O=C(NC1CC1)[C@@H]1CCCN1CCI	190889450	IOQOIKBDIQEPKS-VIFPVBQESA-N	308.163	1.164	50	20	DDGD	
CC(C)(CC(N)=O)NS(=O)(=O)c1ccc(CCl)cc1	311645785	YMMIAUKBIKVKLK-UHFFFAOYSA-N	304.799	1.358	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@@H]1C[C@]12CCOC2	862289945	JBCDWLPYYAFRMV-BBRMVZONSA-N	304.346	1.713	50	20	DDGD	
Cc1nnsc1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	7964819	ZRKFTIIBPBSILV-QMMMGPOBSA-N	324.337	1.214	50	20	DDGD	
CCOCC(=O)NNC(=O)c1cccc(Br)c1	66654421	BEAXTRZEBAKEJG-UHFFFAOYSA-N	301.140	1.247	50	20	DDGD	
O=C(NNC(=O)c1nnc(-c2ccccc2)o1)Nc1cccnc1	56519361	LAUIBEYRCMLUDY-UHFFFAOYSA-N	324.300	1.598	50	20	DDGD	
CC(=O)N1CCC[C@@H]1C(=O)NNC(=O)CCCc1ccccc1	57691662	HQHFDQQCZHNIGT-OAHLLOKOSA-N	317.389	1.168	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C	68809097	XCKODDKKEOTSFT-SNVBAGLBSA-N	314.386	1.125	50	20	DDGD	
CCn1c(NNC(=O)[C@@H](C)C2CC2)nc2ccccc2c1=O	175228439	YJAFBKFMPJHDKC-JTQLQIEISA-N	300.362	1.906	50	20	DDGD	
C[C@@](O)(CNC(=O)NNC(=O)c1ccccc1)c1ccco1	174777997	VCZIRYQZVLRNLR-OAHLLOKOSA-N	303.318	1.131	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCn1cc(C)cn1)c1ccccc1	110337889	OROBHMZZQDSJNM-OAHLLOKOSA-N	314.389	1.923	50	20	DDGD	
COc1ccc([N+](=O)[O-])c(C(=O)NNc2cc(C)ncn2)c1	172277110	YTGAMMXZGAZPKQ-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
C[C@]1(CCc2ccccc2)NC(=O)N(NC=C(C#N)C#N)C1=O	78608564	OXBBIXPOXJIUNS-MRXNPFEDSA-N	309.329	1.365	50	20	DDGD	
CCO[C@H](C)C(=O)N/N=c1\nc(-c2ccccn2)[nH]c(C)c1C	114891367	CSGOTBUHWAONHR-GFCCVEGCSA-N	315.377	1.445	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1CNC(=O)NNC(=O)Cc1cccnc1	170887901	WBTPWLMBFXAMBB-TZMCWYRMSA-N	304.394	1.781	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)Cc2cccs2)cn1	170699091	MAZSGMHSKAFPOP-UHFFFAOYSA-N	322.415	1.712	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NC[C@H]2CCc3ccccc32)cn1	118074474	IJVIXLNCFWYXST-GFCCVEGCSA-N	313.361	1.094	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2F)[nH]n1	176818500	SMXDWGVXLJVSHV-UHFFFAOYSA-N	310.716	1.839	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(NC(=O)C2CC2)nc1	171820884	LLFKTNIFTKJUNY-DHZHZOJOSA-N	300.318	1.813	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@H](C(=O)NNc2cc(C)nc(C)n2)C1	175245215	TYHULWURQGZLOT-NWDGAFQWSA-N	306.366	1.516	50	20	DDGD	
O=C(CCc1ccc2ccccc2c1)NNC(=O)Cc1cc[nH]n1	186138593	AAGZJWPJYWIKFI-UHFFFAOYSA-N	322.368	1.886	50	20	DDGD	
COCc1nc(C)c(C(=O)NNC(=O)c2ccc(C)o2)s1	123607358	DYSWUXBMGMWIKY-UHFFFAOYSA-N	309.347	1.574	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	124701124	CKPUTUQMXUJIAU-CABZTGNLSA-N	314.382	1.882	50	20	DDGD	
O=C(NCCOCc1ccccc1)NNC(=O)c1ccc[nH]1	176443180	SUTYUAZEDKSJSJ-UHFFFAOYSA-N	302.334	1.176	50	20	DDGD	
O=C(NNc1cnccn1)C(=O)Nc1ccc2ccccc2c1	122307933	AVZUUCNVQVSPQP-UHFFFAOYSA-N	307.313	1.712	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NNc1ncnc2nc[nH]c12	186427749	UPFNEPYLRXJQNA-QWRGUYRKSA-N	318.381	1.781	50	20	DDGD	
O=C(Cn1nc(-c2ccccc2)ccc1=O)NNc1ccccn1	181237344	BJTBCPNSHCAMKP-UHFFFAOYSA-N	321.340	1.449	50	20	DDGD	
CN(C)CCn1ccc(NC(=O)NNC(=O)CC(C)(C)C)n1	186131461	SNWGWYSWCOSIFJ-UHFFFAOYSA-N	310.402	1.034	50	20	DDGD	
C[C@H]1CN(CC(=O)NNC(=O)c2ccccc2Cl)C[C@@H]1C	72870357	BCKNRQWWEVEJKQ-QWRGUYRKSA-N	309.797	1.689	50	20	DDGD	
CCN1C[C@@H](C(=O)NNc2ccc(C#N)c(Cl)c2)CC1=O	182405355	KZAHTPHRXMAANP-JTQLQIEISA-N	306.753	1.523	50	20	DDGD	
O=C(CCc1nc(-c2ccccn2)no1)NNc1ccncc1	180480168	YGCWAYBGODVHQT-UHFFFAOYSA-N	310.317	1.603	50	20	DDGD	
Cn1cc(CCCNC(=O)/C(C#N)=C\c2ccc(O)cc2)cn1	188368065	OFTVYSDUBVAULK-DHDCSXOGSA-N	310.357	1.782	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2COc3ccccc3O2)nc(C)n1	129093061	PIROHJHYHHWYIN-ZDUSSCGKSA-N	300.318	1.377	50	20	DDGD	
CCNC(=O)c1cccc(CNC(=O)NNC(=O)C(C)(C)C)c1	79555215	YQCODIRTMVFTMW-UHFFFAOYSA-N	320.393	1.313	50	20	DDGD	
CC(C)[C@@H]1C(=O)NCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	188393557	LRCTUBPCYAWMRT-UZGISAJGSA-N	313.357	1.282	50	20	DDGD	
COc1ccnc(NNC(=O)Cc2ccc(F)cc2Cl)n1	134919424	KTHZJUYRKXHJPB-UHFFFAOYSA-N	310.716	1.964	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1ccc(C)n1C	185310797	CIGQOPHDVSLJOF-UHFFFAOYSA-N	315.373	1.736	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1csc(-c2ccccc2)n1	42960331	JXJMEFCHNUWWNP-LBPRGKRZSA-N	317.370	1.750	50	20	DDGD	
O=C(NNc1nc2ccccc2c(=O)[nH]1)c1cccc(F)c1F	137192916	VOMFFCAONCBIRW-UHFFFAOYSA-N	316.267	1.958	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cc(C)ncn2)cc1	138514359	OQKLFARSVXTNQZ-UHFFFAOYSA-N	314.345	1.187	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCCc2cn[nH]c2C)o1	83992094	QCUUVSCKGHDKPH-UHFFFAOYSA-N	305.338	1.196	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1F)N(C)C	82991503	MESPLJCYUZNJKC-LBPRGKRZSA-N	315.776	1.826	50	20	DDGD	
CCn1c(NNC(=O)c2ccccc2N)nc2ccccc2c1=O	236993512	HLLLYGSTVWEHBD-UHFFFAOYSA-N	323.356	1.756	50	20	DDGD	
CC(C)Oc1ncc(C(=O)NNC(=O)c2ccc[nH]2)cc1Cl	97497723	DPNJFELPIDRMFI-UHFFFAOYSA-N	322.752	1.925	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)/C=C\c2ccc(Cl)s2)[nH]n1	255135048	SHSVCIPVSGPWKX-HYXAFXHYSA-N	310.766	1.907	50	20	DDGD	
CC(C)(C)SCCNC(=O)NNC(=O)Cc1cccnc1	264175716	XFVBUOFSCXOAHL-UHFFFAOYSA-N	310.423	1.486	50	20	DDGD	
O=C(NNC(=O)c1cc(F)c(F)cc1F)NC1CCCC1	269525930	ZAVYWBRTGOGDGU-UHFFFAOYSA-N	301.268	1.991	50	20	DDGD	
C[C@@H](CO[C@H]1CCOC1)NC(=O)NNc1ccc(Cl)nc1	267885143	PRWYMCSIGSOPLN-ONGXEEELSA-N	314.773	1.555	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(N2CCC(C)CC2)nc1	272714773	YOFCZENLSZUTPB-UHFFFAOYSA-N	319.409	1.624	50	20	DDGD	
CS(=O)(=O)c1cccc(NC(=O)NNC(=O)CC2CC2)c1	273322892	LEOTVCHWRIVGHY-UHFFFAOYSA-N	311.363	1.043	50	20	DDGD	
CCCSc1nsc(NC(=O)NN(C)C(=O)NCC)n1	275989764	FAXFZWBSHIQOAF-UHFFFAOYSA-N	318.428	1.738	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)C(C)(C)F	271096884	NAEFKKUJDSVZQM-UHFFFAOYSA-N	300.355	1.683	50	20	DDGD	
CN1CCC(C(=O)NNc2nnc(-c3ccccn3)s2)CC1	276455502	NBPZMILWEHAINO-UHFFFAOYSA-N	318.406	1.385	50	20	DDGD	
Cc1cccnc1NNC(=O)CNC(=O)CC1CCCCC1	276716261	KZCRFYWCMXOIRJ-UHFFFAOYSA-N	304.394	1.920	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)C2CC2)c(OC)c1	275386252	CBZMKUNXAHWVMT-UHFFFAOYSA-N	307.306	1.045	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N[C@H]1CCCOCC1)c1ccccc1	272006505	SWRAXJFKJDSHQI-AWEZNQCLSA-N	319.405	1.864	50	20	DDGD	
CC1CC(NC(=O)NNC(=O)CSc2ccccc2O)C1	270664210	OVHDCACQOHDAIA-UHFFFAOYSA-N	309.391	1.613	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NC1CC(F)(F)C1	277478784	NJNRYJGWKZLJBS-UHFFFAOYSA-N	313.304	1.366	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1C(=O)NNC(=O)CNc1ccccc1	278756793	SMZILZGXSCHLGP-UKRRQHHQSA-N	303.362	1.227	50	20	DDGD	
COCc1ccccc1C(=O)NNC(=O)NCC(F)(F)F	281177287	JFZRXNUMFQSPDG-UHFFFAOYSA-N	305.256	1.339	50	20	DDGD	
COC(=O)N(C)NC(=O)CNc1cc(Cl)ccc1OC	286255089	HFAVNGSNXVOHKK-UHFFFAOYSA-N	301.730	1.490	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1CCN(C2CCCCC2)C1	281326907	TVIRHPPZVJRAGE-LBPRGKRZSA-N	310.467	1.322	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C1CCC1)[C@H](c1ccccc1)N(C)C	287845670	DILCGFWPQBGECL-IUODEOHRSA-N	318.421	1.808	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)N[C@H]1CCO[C@@H]1c1cccnc1	286723566	DUKKARVRULCRPO-GXTWGEPZSA-N	320.393	1.678	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNc1ccc(C(F)(F)F)nn1	289422134	JKGWGXVLDYEVHH-SSDOTTSWSA-N	320.271	1.528	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CCc3cnn(C)c3C2)nc1	282229209	HIJSOHMANDJDDD-JTQLQIEISA-N	301.350	1.072	50	20	DDGD	
COCCN(C)NC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O	288458360	JUGBVMDWAMYANF-MRXNPFEDSA-N	317.389	1.560	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cc(C(C)C)on2)c1O	294770954	FXIYJBCDPAKXSB-UHFFFAOYSA-N	319.317	1.587	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)CCc1cncnc1	292114127	DKZHSVSVQWAQCQ-UHFFFAOYSA-N	312.373	1.580	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)[C@@H]2CCCO2)c1CC	293856308	CDMMYLGXINKVNZ-ZDUSSCGKSA-N	308.382	1.186	50	20	DDGD	
COc1cc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)nn1C	802022513	MXKHUZDFBJBPJV-UHFFFAOYSA-N	323.740	1.549	50	20	DDGD	
C#Cc1cncc(C(=O)NNC(=O)COCc2ccccc2)c1	806896991	MJPNDRVNGNXOGM-UHFFFAOYSA-N	309.325	1.041	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ncccc2F)c(C)n1	807300318	JPOWSFNJRUWREG-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc3ccccc3c(O)n2)O1	294070561	BSAJYUMLVNAWET-ZANVPECISA-N	315.329	1.269	50	20	DDGD	
CC[C@H]1CCC[C@@H]1C(=O)NNC(=O)COc1ccc(C#N)cc1	294280433	HJXNJLXFPJLFAX-ZFWWWQNUSA-N	315.373	1.911	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2nc(C(F)(F)F)cs2)n1	295005680	CHJBRHFDVBRQOQ-UHFFFAOYSA-N	320.300	1.839	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)NC[C@@H]2COc3ccccc32)O1	297984907	MWDAMPQEMJCWFY-WDMOLILDSA-N	319.361	1.061	50	20	DDGD	
O=C(NNc1ccncn1)[C@H]1CCCN(Cc2ccccc2)C1	295614696	ZBZRLLPFOWDMDR-HNNXBMFYSA-N	311.389	1.832	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1cc(C(C)=O)ccc1Cl	296118791	RTMUDPBDSMAJKE-UHFFFAOYSA-N	320.754	1.434	50	20	DDGD	
COCCN(C)NC(=O)c1cc(F)cc2nc(C)c(C)nc12	293756016	YPIPJHLYCBJOQG-UHFFFAOYSA-N	306.341	1.609	50	20	DDGD	
C=C(CBr)CN[C@@H](C1CC1)[C@@]1(CO)CCCO1	815289771	JWKWHUDLGLVEGY-STQMWFEESA-N	304.228	1.847	50	20	DDGD	
COC1([C@H](C)NC(=O)NNc2nc(C)cc(C)n2)CCOCC1	817177670	IKNBPWCVSCKOGS-LBPRGKRZSA-N	323.397	1.304	50	20	DDGD	
O=C(COc1ccccc1O)NN=C1COc2cc(F)ccc21	814953943	RZKXGGHXGICJGR-UHFFFAOYSA-N	316.288	1.823	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccc(C(F)(F)F)nn1)n1cccn1	819426254	CTLUNTBYXJTNAO-QMMMGPOBSA-N	314.271	1.786	50	20	DDGD	
COc1cc(Cl)ccc1C(C)=NNC(=O)C(=O)NC(C)C	817322696	IJWPEGFIXJVTDP-UHFFFAOYSA-N	311.769	1.713	50	20	DDGD	
O=C(NN=Cc1cnn(CC(F)F)c1)c1cccc([N+](=O)[O-])c1	814212004	AKLYQLFCRZUPJK-UHFFFAOYSA-N	323.259	1.820	50	20	DDGD	
C[C@H](OCc1ccccc1)C(=NNC(=O)C(N)=O)C(F)(F)F	811630176	VPWYADZTPUCPKW-QMMMGPOBSA-N	317.267	1.112	50	20	DDGD	
C[C@@H](Cc1cnc2ccccc2n1)C(=O)NNc1ncccn1	814926628	BNLYDRDIGBIDDM-NSHDSACASA-N	308.345	1.742	50	20	DDGD	
CCC[C@@H](C(=O)NNc1cccc(Cl)c1)S(N)(=O)=O	816844783	OSNZOEDAFBXXMA-JTQLQIEISA-N	305.787	1.240	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CC[C@@H](C(=O)O)C(C)(C)[C@@H]1C	814777198	QNFCTSMHODLNJX-ZJUUUORDSA-N	311.382	1.140	50	20	DDGD	
COc1ccc2cc(C(=O)NNc3ncncc3F)[nH]c2c1	817079462	RXJJESLUBARPJR-UHFFFAOYSA-N	301.281	1.863	50	20	DDGD	
O=C(Cc1cccc(Cl)c1F)NNC(=O)N=c1cc[nH]cc1	813573908	LDNYJLCETSHIGN-UHFFFAOYSA-N	322.727	1.691	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cccc(C#N)c1)c1ccccn1	728944340	VYUDNXFAHXOXHP-NSHDSACASA-N	309.329	1.658	50	20	DDGD	
C[C@H]1CC[C@H](C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)C1	824901179	XWCTWSKAHCLUCS-YUMQZZPRSA-N	321.772	1.794	50	20	DDGD	
Cc1ccoc1CC(=O)NNC(=O)COCc1ccccc1	828319108	IGQMWIBJIGEUCT-UHFFFAOYSA-N	302.330	1.495	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H]1Cc2cccc(C)c2O1	828524532	MGGSTFQETQFFTK-LLVKDONJSA-N	300.318	1.240	50	20	DDGD	
CC(C)C(=O)NNC(=O)CSc1nccc(C(F)(F)F)n1	828995398	LUHSHSDXYINMLV-UHFFFAOYSA-N	322.312	1.391	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNC(=O)c2c[nH]nc2C)cc1	492856388	IMMIUXZETMIVAW-YVMONPNESA-N	300.318	1.201	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)c(OC)c1	823148474	OGDYQSQQNVFUIR-UHIISALHSA-N	318.373	1.901	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccn(CC(F)F)n1	495085101	HMXWHUXJWLQSNW-UHFFFAOYSA-N	305.285	1.709	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)OC(C)(C)C)NC(=O)c1ccccc1	490542714	ZREJBOYOOSGSLC-LLVKDONJSA-N	321.377	1.751	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc2ccccc2n1CC#N	729304131	LJGQKPXORORQPL-UHFFFAOYSA-N	321.340	1.578	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@H]1CC1(F)F	822203995	ZEUCPKHYCUPXSC-SECBINFHSA-N	322.315	1.401	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C\c1ccc(F)c(-c2nn[nH]n2)c1	824266269	ITERYTODNIVYMM-WZUFQYTHSA-N	314.324	1.685	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@@H]1CCCCN1C(=O)c1ccccc1	823977002	MFIYPDPPFWIPLV-HIFRSBDPSA-N	319.405	1.025	50	20	DDGD	
C[C@@H](NNC(=O)CC1CCN(CC(F)F)CC1)C(F)(F)F	824832783	UEUXMCSCCYVNAC-MRVPVSSYSA-N	317.302	1.925	50	20	DDGD	
CC(C)(CCC(=O)NNc1cnnc2ccccc12)[N+](=O)[O-]	825835006	AIVBYHRJZDEPNB-UHFFFAOYSA-N	303.322	1.908	50	20	DDGD	
CC(C)COc1ccc(CNCc2ccccc2B(O)O)cc1	585016846	BGENWJPBOPRNSL-UHFFFAOYSA-N	313.206	1.691	50	20	DDGD	
CCOC(=O)N1CCC(NC(=N)NCCSSC)CC1	496127906	XHNSWWQHMUHARZ-UHFFFAOYSA-N	320.484	1.732	50	20	DDGD	
Cc1ccccc1-c1noc(C)c1C(=O)NN(C)[C@@H](C)CO	823928638	PQAOVWBBCAJABX-NSHDSACASA-N	303.362	1.916	50	20	DDGD	
CCC(CC)[C@H]1C[C@H](NCc2ccccc2B(O)O)CCO1	585033279	CIFZXVWNZYIFBJ-NVXWUHKLSA-N	305.227	1.440	50	20	DDGD	
CC(C)[C@H](NC(=O)O)C(=O)NNc1nc(-c2ccccc2)no1	736377171	XPJGHUQKGTUWHO-JTQLQIEISA-N	319.321	1.472	50	20	DDGD	
CC(C)CC(CC(C)C)C(=O)NNc1ccc(C(N)=O)nn1	826843028	CRRSMIRXASQICI-UHFFFAOYSA-N	307.398	1.727	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)c2cnccn2)cc1OC	734743714	GKMLTOLZCLXPDJ-UHFFFAOYSA-N	300.318	1.648	50	20	DDGD	
CC(C)c1cccc2c1CCN(C(=O)c1ccc(B(O)O)cc1)C2	584980156	RUYUKDAEQGERRE-UHFFFAOYSA-N	323.201	1.688	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)/C=C\c2ccc[nH]2)nc1C	491966284	VFXUXCYIJTZRHY-SREVYHEPSA-N	315.333	1.446	50	20	DDGD	
CCCNC(=O)c1cccc(NC(=O)NNC(=O)OCC)c1	494472916	SXSAEVZEISOXRS-UHFFFAOYSA-N	308.338	1.609	50	20	DDGD	
CN1C(=O)C(=NNC(=O)COCc2ccccc2)c2ccccc21	737438980	PXQCEUDCCRXAPL-UHFFFAOYSA-N	323.352	1.700	50	20	DDGD	
C[C@@H]1c2ccsc2CCN1C(=O)c1cccc(B(O)O)c1	584925875	RMEZHYUFYDDLSP-SNVBAGLBSA-N	301.176	1.187	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1CCNC(=O)NNC(=O)c1cnn(C)c1	735515196	KSOIPGMAEBJCKW-VXGBXAGGSA-N	307.398	1.581	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC(OCCC(C)C)CC1	732196985	AQEYTGYQRILIQC-ZDUSSCGKSA-N	313.442	1.459	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c(C)c1	901262618	ITWAVRRECUZVIQ-ZBFHGGJFSA-N	317.389	1.317	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1ccc(C)c([N+](=O)[O-])c1	735413242	ILUFEFSGEGMRIN-UHFFFAOYSA-N	301.306	1.791	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1coc2ccccc12	901936022	DECFFJULFBIPCV-NXEZZACHSA-N	324.358	1.167	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NCC(C)(C)OC)cc1	836329207	RYMFXEVYQBLDFV-UHFFFAOYSA-N	310.354	1.456	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H](C)SC)c1F	838526070	NUPORMQMAICJGP-MRVPVSSYSA-N	315.370	1.990	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)C2CCC2)c2ncccc2c1	732048278	YGLYQPMADDJHFM-UHFFFAOYSA-N	319.386	1.653	50	20	DDGD	
C[C@@H](CNCc1ccc(B(O)O)cc1)Oc1ccc(F)cc1	585026782	KCAXSTUMHHIGQW-LBPRGKRZSA-N	303.142	1.063	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cccc2[nH]ccc12	831405815	BNPSMVHHIKRXHZ-ZJUUUORDSA-N	302.334	1.746	50	20	DDGD	
COc1ccc(OCCNC(=O)NNc2cccnn2)cc1	736370553	KWMNNXBACFGSQJ-UHFFFAOYSA-N	303.322	1.190	50	20	DDGD	
CCn1cccc(CNC(=O)[C@]2(C)C[C@@H]2Br)c1=O	907832898	BYJXJNGCBRDSQO-GXFFZTMASA-N	313.195	1.658	50	20	DDGD	
CCc1[nH]nc(C(=O)NNc2ccccc2[N+](=O)[O-])c1[N+](=O)[O-]	731778103	XLALPIDZBOJQNS-UHFFFAOYSA-N	320.265	1.545	50	20	DDGD	
CC(C)(C)C(=O)NN=Cc1cnc2ccc(-c3nn[nH]n3)cn12	735589426	JSIKEUSKZRZRBW-UHFFFAOYSA-N	312.337	1.011	50	20	DDGD	
CN(C)C1(C(=O)NNC(=O)NCc2ccc(Cl)cc2)CC1	832802440	QLQBJXOUEIKXHE-UHFFFAOYSA-N	310.785	1.265	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=Cc1csnn1	915944895	VGRAVNNHDZOAQH-UHFFFAOYSA-N	300.347	1.347	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNC(=O)c1cc2ccccc2o1	838775568	ILGJASWBLWGJRT-NEPJUHHUSA-N	317.345	1.944	50	20	DDGD	
CCCCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)CCl)C1	830312567	CPZMHRGSMQYOLB-GFCCVEGCSA-N	324.874	1.921	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cccnc1)c1cccc(F)c1	736064036	DMJLDKLKZVZSTR-UHFFFAOYSA-N	301.321	1.960	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@H]1CCN(CC2CC2)C1	838484781	JMDSPKSVIFKYBX-NSHDSACASA-N	311.336	1.470	50	20	DDGD	
CCOC1(C(=O)NNc2cccc(C(=O)OC)c2)CCOCC1	831894637	QKANBLQPKLALLG-UHFFFAOYSA-N	322.361	1.502	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)COc1ccc(C#N)cc1	749865701	PLESBLVXYPPNJZ-UHFFFAOYSA-N	310.313	1.102	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)C(F)(F)c1ccc(F)cc1	747324609	FBYXQIOABSKOTR-UHFFFAOYSA-N	323.274	1.703	50	20	DDGD	
COc1ccc2nc(NNC(=O)[C@]3(O)CCOC3)c(C)cc2c1	840415423	VTPMEMKFSBRXBG-INIZCTEOSA-N	317.345	1.146	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)C1(Cc2ccc(F)cc2)CCOCC1	910147924	PDWMVDHONRCNLH-ZDUSSCGKSA-N	324.396	1.509	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)sc1C	913209012	RQLDZARECJCZAL-JTQLQIEISA-N	309.391	1.049	50	20	DDGD	
CCCN(C)c1ccc(C(=O)NNC(=O)c2ncccn2)cc1	841354609	QKCRPASUNIQJJY-UHFFFAOYSA-N	313.361	1.398	50	20	DDGD	
C[C@@]1(C(=O)NCc2cnc(Cl)cn2)C[C@@H]1Br	910029905	HRRYUSXKNJNDJS-OIBJUYFYSA-N	304.575	1.920	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@H]2CC23CCCC3)c1	747511534	JDZAGYLDLKBLPW-CQSZACIVSA-N	317.389	1.835	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@@H]2CC23CCCC3)cc1	747511148	GABXZYTTWJFUAK-AWEZNQCLSA-N	317.389	1.835	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CNC(=O)c2ccoc2C)n1	747983265	LLHOQBORMSUDSS-UHFFFAOYSA-N	323.740	1.213	50	20	DDGD	
Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNC(=O)NCc1ccco1	746842042	UHNDHJQXGFJJRH-SECBINFHSA-N	319.365	1.264	50	20	DDGD	
Cc1cccc2[nH]cc(CC(=O)NNC(=O)[C@@H]3CCO[C@H]3C)c12	843653604	XMMUAWIUBKJRCY-WCQYABFASA-N	315.373	1.591	50	20	DDGD	
CC(C)Oc1cncc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	843663818	YNPXFFQQUXURQN-MFKMUULPSA-N	307.350	1.055	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@H]1CCCN2CCCC[C@H]12	847442937	PCRKZMYDLMWNHJ-WDEREUQCSA-N	324.816	1.773	50	20	DDGD	
COc1ccc2c(c1)OCC[C@H]2NC(=O)NNC(=O)C1CCC1	743649830	OLBIHWCOQYWGGX-CYBMUJFWSA-N	319.361	1.649	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC[C@@H](N)C(C)C)c1ccccc1	841944597	LXSPPCRFOSOHGC-UONOGXRCSA-N	306.410	1.494	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)C(=O)Nc1ccc(C)cc1	749761114	YXEGSGJUTCSHKX-JTQLQIEISA-N	308.407	1.227	50	20	DDGD	
CC(C)(C)Oc1ccc(C(=O)NNC(=O)c2ncccn2)cc1	841350107	FDGBNEBRHBRLFE-UHFFFAOYSA-N	314.345	1.729	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)NC2CCOCC2)cc1	918233154	DHNWUSNHDOVDCU-UHFFFAOYSA-N	323.418	1.597	50	20	DDGD	
CCCN1C[C@H](C(=O)NNc2nc3ccccc3n2C)CC1=O	848381740	SXEVCRGJKHPFKV-LLVKDONJSA-N	315.377	1.275	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)[C@@H]1CC12CCCC2	747348262	MUEWNIAQNCWJSO-ZDUSSCGKSA-N	306.337	1.932	50	20	DDGD	
COC[C@H](Cc1ccccc1)NC(=O)NNc1cccnn1	746778464	BSRMWDUGHNMHIY-ZDUSSCGKSA-N	301.350	1.360	50	20	DDGD	
CCCn1nc(C)c(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1C	843654864	SVWPLMCZWUFKAN-NWDGAFQWSA-N	308.382	1.096	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)C(=O)c1ccccc1	843979935	QRVZXWDEXFEJGT-YRGRVCCFSA-N	318.373	1.468	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1n[nH]cc1C	841643661	DDNQGNBCRRKHON-LLVKDONJSA-N	319.365	1.085	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cccc(OC(F)F)c1)[C@H](C)O	842232933	WQYGQZMICIKJGE-KWQFWETISA-N	316.304	1.456	50	20	DDGD	
CC(C)S(=O)(=O)c1ccccc1C(=O)NNc1cccnn1	753099220	MCELKBJNNIKMRJ-UHFFFAOYSA-N	320.374	1.416	50	20	DDGD	
C[C@@H]1COCCCN1C(=O)NC[C@@]1(C)C[C@@H]1Br	856902910	LFVNGQMKMQHHNL-JFGNBEQYSA-N	305.216	1.980	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cnc3n2CCCCC3)c1	857116626	KSYJULAXLXYHPZ-UHFFFAOYSA-N	323.356	1.556	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)[C@H]1CC12CCCC2	855832273	ZOWIDPZBRHPNOK-GFCCVEGCSA-N	323.437	1.657	50	20	DDGD	
C[C@@H]1CCN(C(=O)NC[C@]2(C)C[C@H]2Br)C[C@H]1CO	856958647	JIZNBJYWGQKSNL-XZUYRWCXSA-N	319.243	1.820	50	20	DDGD	
C[C@H](N)[C@@H]1CCCN(C(=O)NC[C@@]2(C)C[C@H]2Br)C1	857105585	NNISGWCTDWLHKJ-SBFPOUOMSA-N	318.259	1.929	50	20	DDGD	
COC(C)(C)CC=NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C	853377290	LWQSRQDTBPBBCT-TZMCWYRMSA-N	322.409	1.805	50	20	DDGD	
C#CCCCCC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855834087	XUACCWVXMCBLFP-UHFFFAOYSA-N	309.410	1.270	50	20	DDGD	
Cc1ccc(SCCC(=O)NNC(=O)[C@H]2CCOC2)cc1	921202972	NERUSVFLCUWUHC-LBPRGKRZSA-N	308.403	1.661	50	20	DDGD	
CN(CC1CC1)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	852590513	PYCLFXCQVGDVLM-UHFFFAOYSA-N	312.414	1.012	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C[C@H](n1cccn1)C(F)(F)F	854667653	OBOROYNPFNCHMW-VIFPVBQESA-N	304.272	1.324	50	20	DDGD	
CC[C@@H](C)c1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1	755267688	AFGYZPQBZIGHOT-LLVKDONJSA-N	300.362	1.927	50	20	DDGD	
CCOc1cccc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c1	853387933	UYSZGNWUVZMSGJ-ZBFHGGJFSA-N	317.389	1.399	50	20	DDGD	
Cc1ncc(C=NNC(=O)[C@H](C)CN2CCC(C)CC2)n1C	853278816	IGXYAMQXYJHPES-CYBMUJFWSA-N	305.426	1.547	50	20	DDGD	
CCC(F)(F)C(=O)NNC(=O)c1cc(Br)c[nH]1	854292289	YVMJFFQTEPMFBR-UHFFFAOYSA-N	310.098	1.584	50	20	DDGD	
O=C(NNC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1cccc(F)n1	856422080	NLZHDBODLWDKGS-ZACCUICWSA-N	319.336	1.377	50	20	DDGD	
CSc1cc(C(=O)NNC(=O)Cn2nc(C)cc2C)c(C)o1	854232546	SFWUMPRXJFUDFY-UHFFFAOYSA-N	322.390	1.584	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)c2cccc(N(C)C)c2)o1	753897066	NEZBCVVBPFBENT-UHFFFAOYSA-N	301.346	1.658	50	20	DDGD	
O=C(NNC(=O)c1ncoc1C(F)(F)F)OCC(F)(F)F	856018572	COVKQXFTZZWLEB-UHFFFAOYSA-N	321.133	1.627	50	20	DDGD	
COc1ccc(OCC(=O)NN=C(C)c2nccn2C)cc1	755503804	FIXNSGADUKFUIN-UHFFFAOYSA-N	302.334	1.348	50	20	DDGD	
COC(=O)c1cccc(CNC(=O)NNC(=O)C2CCCC2)c1	753338030	AZBYGNFZYRXKPK-UHFFFAOYSA-N	319.361	1.494	50	20	DDGD	
CC(C)n1cc(NC(=O)NNC(=O)Cc2ccncc2)cn1	756829335	GARWJZZTZREXCL-UHFFFAOYSA-N	302.338	1.254	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1ccc2cccnn12	753486827	XNTQDJWFONJDTC-UHFFFAOYSA-N	308.341	1.728	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H](C)OCc2ccncc2)n1	867923425	GAPVAFIAHGBRSD-LBPRGKRZSA-N	314.345	1.151	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)c1ccc(OC2CCCC2)cc1	862473475	RTDZFXYEEWYUAO-UHFFFAOYSA-N	314.345	1.806	50	20	DDGD	
O=C(NNC(=O)C1SCCS1)c1cc2ccccc2o1	761176169	FLASZXADZIONHR-UHFFFAOYSA-N	308.384	2.000	50	20	DDGD	
O=C(NNc1cnccn1)c1cnc(OCc2ccccc2)cn1	760517507	MYGJAGMKJKOUJW-UHFFFAOYSA-N	322.328	1.603	50	20	DDGD	
O=C(CN1CCC(C(F)F)CC1)NNC(=O)c1cccs1	767082501	MITSLNKITPFQDK-UHFFFAOYSA-N	317.361	1.486	50	20	DDGD	
O=C(NNc1nccc2sccc12)c1n[nH]cc1[N+](=O)[O-]	764271503	NNULXQCDKWKKDT-UHFFFAOYSA-N	304.291	1.685	50	20	DDGD	
CC[C@@]1(C(=O)NNC(=O)c2ccc(Cl)cc2)CCNC1=O	864421619	JQSWITGYMHFSOK-CQSZACIVSA-N	309.753	1.017	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H](C3CC3)C2)c1	764483276	DEJMESMUFWVACF-OAHLLOKOSA-N	312.373	1.051	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cncc(N3CCCC3)n2)cc1	866868159	FEZZXMGVNVGVNF-UHFFFAOYSA-N	308.345	1.705	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1noc(-c2cccc(F)c2)n1	760908729	SAXODRJPRDIPRT-UHFFFAOYSA-N	318.243	1.562	50	20	DDGD	
Cc1ccc(-c2ccnn2C)cc1NCc1ccc(B(O)O)cc1	864035712	OYGUTHQFRHMVML-UHFFFAOYSA-N	321.189	1.687	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccnc1)c1ccc(C)s1	763192988	KXIQYNLPEKCRBO-UHFFFAOYSA-N	316.386	1.722	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)Cc2ccccc2C)c1C	866670455	MWUWXZLVGSGFRG-UHFFFAOYSA-N	300.362	1.524	50	20	DDGD	
COc1cccc(C2=NO[C@@H](C(=O)NNc3ccn(C)n3)C2)c1	1117985460	MZABXEGVCGHDPD-CYBMUJFWSA-N	315.333	1.065	50	20	DDGD	
CS[C@@H](C)CCC(=O)OCC(=O)NNC(=O)c1ccccc1	762926114	GFOGBPQHHFFKOE-NSHDSACASA-N	324.402	1.523	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2cnn3ncccc23)o1	765279975	XYUPAWQULPAOFH-UHFFFAOYSA-N	311.305	1.469	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1ccc2c(n1)CCCC2	767809248	DSSRZOPZAUZOOZ-UHFFFAOYSA-N	304.394	1.837	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)c1	874949756	CHIGLDFMGBQKCG-MGPQQGTHSA-N	315.398	1.411	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc[nH]1	875707250	ONWLHIVTAXFBPK-CABCVRRESA-N	303.410	1.455	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CCc1cc(C)cc(C)c1	772236287	LUTZWMKFYFGXJA-ZDUSSCGKSA-N	320.389	1.725	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCOc1ccc(Cl)c(F)c1	875639687	DAVUGGKQSYXMLA-UHFFFAOYSA-N	319.720	1.770	50	20	DDGD	
O=C(NNC(=O)C1(Br)CC1)c1ccccc1F	873751663	VEFGKOWHKVXSQR-UHFFFAOYSA-N	301.115	1.514	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1	1116768318	JKQOIUZZMAIPDJ-SECBINFHSA-N	310.379	1.602	50	20	DDGD	
CC(C)c1cccc(OCC(=O)NNC(=O)c2cccnn2)c1	882060690	SLCIXVOSKXTHLL-UHFFFAOYSA-N	314.345	1.440	50	20	DDGD	
CCCNC(=O)/C(C#N)=C/c1ccc(N2CCN(C)CC2)cc1	771520056	IUIKEEBZMYQHEB-DTQAZKPQSA-N	312.417	1.872	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)[C@@H]1CC(=O)N(C2CC2)C1	774778602	CEOPOMNVJHFLPM-SNVBAGLBSA-N	311.345	1.084	50	20	DDGD	
COCCC[C@H](C)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	777881664	HCDJFTRQJYGJTA-NSHDSACASA-N	324.377	1.528	50	20	DDGD	
C[C@@H]1COC[C@H]1NC(=O)NNC(=O)c1ccc2ccccc2c1	1122031771	YIZCHZMHSFGZKO-IAQYHMDHSA-N	313.357	1.819	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1	887150531	NNKHHTJYFSTKTH-TXEJJXNPSA-N	323.393	1.241	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC1(Cc2ccccc2)CC1	883751662	QZWSAUGXDNKNFO-JSGCOSHPSA-N	317.389	1.517	50	20	DDGD	
CC1(C)CC[C@@H](C(=O)NNC(=O)COc2ccccc2O)C1	781631602	BDAIQGARDFJRLJ-LLVKDONJSA-N	306.362	1.745	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2c(Cl)cnn2C)cc1	780202309	VEAXBGHQMZORIY-UHFFFAOYSA-N	319.752	1.471	50	20	DDGD	
Cc1nc2ccc(NC(=O)C(=O)NNc3ccccn3)cc2o1	784798677	WBEVPYMFDIDPNL-UHFFFAOYSA-N	311.301	1.613	50	20	DDGD	
COc1cc(NNC(=O)NCC[S@@](C)=O)ccc1Cl	789042099	UQSOSGFJXFOENH-LJQANCHMSA-N	305.787	1.353	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)NCC2CC2)sc1Cl	788745002	BGXZTRMLHMIWAN-UHFFFAOYSA-N	323.827	1.612	50	20	DDGD	
CC[C@H]1C[C@@H](CC(=O)NNC(=O)NCc2ccco2)CCO1	781681330	GTBHWLKLHHEAQB-RYUDHWBXSA-N	309.366	1.705	50	20	DDGD	
CC(C)c1cc(NC(=O)C(=O)NNc2cc(Cl)ccn2)no1	784856779	VTNQVMOGHXHGSZ-UHFFFAOYSA-N	323.740	1.928	50	20	DDGD	
COC(=O)COc1ccccc1C(C)=NNC(=O)C(F)F	783861681	OPVRWWQLPUNLPJ-UHFFFAOYSA-N	300.261	1.344	50	20	DDGD	
O=C(NN=Cc1sccc1Cl)N[C@H]1CCS(=O)(=O)C1	782202301	YWIAIXUYUIJQNU-ZETCQYMHSA-N	321.811	1.222	50	20	DDGD	
CC(C)=C[C@H]1[C@H](C(=O)NNC(=O)N2CCN(C)CC2)C1(C)C	788168930	HFXXQIKUVIWQDN-QWHCGFSZSA-N	308.426	1.213	50	20	DDGD	
COCc1cc(C=NNC(=O)Cc2cn3ccccc3n2)no1	794915804	VGOJVBDCLKRCBH-UHFFFAOYSA-N	313.317	1.162	50	20	DDGD	
Cc1cncc(CCC(=O)NNC(=S)N[C@H](C)C2CC2)c1	794372183	BRKUMMTUNNMVCR-LLVKDONJSA-N	306.435	1.616	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccnc(Br)c1)C(=O)OC	790901405	KIRQWSPQXWGXEL-QMMMGPOBSA-N	316.155	1.486	50	20	DDGD	
Cn1c(Cl)cnc1C=NNC(=O)COCc1ccccc1	799480968	CXNNRIFSSDUPLA-UHFFFAOYSA-N	306.753	1.740	50	20	DDGD	
CC(=NNC(=O)[C@H]1COc2ccccc2O1)c1cc(C)on1	790288639	SVZINWZKKFZXRX-CQSZACIVSA-N	301.302	1.663	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@@H]1CCC[C@@H]2CCCC[C@H]21	795819477	OUYGQPRECODQSY-BFHYXJOUSA-N	309.410	1.666	50	20	DDGD	
O=C(NNC(=O)[C@H](F)CC1CCCCC1)C(=O)N1CCCC1	793304640	LVHQRCRSGPZLJG-GFCCVEGCSA-N	313.373	1.065	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CC(c3cccnc3)=NO2)nc1	790949228	LTVZLSYVPZKEHL-CYBMUJFWSA-N	313.317	1.122	50	20	DDGD	
CC(C)(C#N)c1ccc(C(=O)NNc2ccc(C(N)=O)nn2)cc1	795171338	HTQMZAOPPJYFQZ-UHFFFAOYSA-N	324.344	1.134	50	20	DDGD	
N#Cc1cccc(C2(C(=O)NNC(=O)NCc3ccco3)CC2)c1	1319418153	ZAYHVAHAXJIIPA-UHFFFAOYSA-N	324.340	1.713	50	20	DDGD	
Cc1nc(C(=O)NNC(=S)Nc2ccccn2)ccc1C#N	1329892750	TWRCMOQSZCPEOF-UHFFFAOYSA-N	312.358	1.288	50	20	DDGD	
C[C@@H](CCN(C)C)NC(=O)NNc1ccc(C(C)(C)C)nn1	1323007704	KNFBZBDTWUPTCU-NSHDSACASA-N	308.430	1.740	50	20	DDGD	
N#Cc1ccncc1C(=O)NNc1ccc2c(=O)[nH]ccc2c1	1324058256	BEVZTPSAGVOVCJ-UHFFFAOYSA-N	305.297	1.552	50	20	DDGD	
CC1CC(CNC(=O)C(=O)NC[C@]2(C)C[C@@H]2Br)C1	1328966004	BMKINBXQRNTVEE-GPCLJDEGSA-N	317.227	1.438	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2	1320223352	YODXKHIJFJCDTQ-UHFFFAOYSA-N	321.333	1.263	50	20	DDGD	
CCOc1cccc([C@H](C)NC(=O)NNC(=O)c2cn[nH]c2)c1	1328703596	OWHQHPLTVNKDMP-JTQLQIEISA-N	317.349	1.514	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@]2(C)C[C@H]2Br)C1	1334548374	GRUYNYLMJUUTDA-COMAGPEQSA-N	317.227	1.581	50	20	DDGD	
CC(C)CONC(=O)NNC(=O)c1nc2ccccc2s1	1335918310	IHOJINGFQYGYNM-UHFFFAOYSA-N	308.363	1.828	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1[nH]ccc1-c1ccccc1	1331925044	NAZUNQDUDVGLOH-UHFFFAOYSA-N	313.357	1.869	50	20	DDGD	
O=C(NCCCN1C(=O)CNC1=O)c1cccc(CCl)c1	1336341663	PVQYWBVQKICCMS-UHFFFAOYSA-N	309.753	1.097	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)c1	1263307029	PNXFKYVYNZTCHE-BFHYXJOUSA-N	318.377	1.017	50	20	DDGD	
CCC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)C1CCNCC1	1345142883	SDSOBNZYVFHTLM-GXTWGEPZSA-N	310.442	1.675	50	20	DDGD	
O=C(Cn1cc(C2CC2)cn1)NNC(=O)c1ccccc1Cl	1347280773	GNVUZJXMMJVKPA-UHFFFAOYSA-N	318.764	1.875	50	20	DDGD	
O=C(NNc1cncc(Br)c1)[C@H]1[C@@H]2CCC(=O)[C@@H]12	1352034170	NMGYLICZSJVUFI-MIMYLULJSA-N	310.151	1.512	50	20	DDGD	
CC(=O)NC1CCC(C(=O)NNc2cccc(Cl)n2)CC1	1528444166	SDIZDAMAEOKERO-UHFFFAOYSA-N	310.785	1.873	50	20	DDGD	
Cc1ccc(NNC(=O)c2c[nH]cc(Cl)c2=O)cc1C(=O)O	1600461930	PTPXIJYGANLEME-UHFFFAOYSA-N	321.720	1.792	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)O[C@@H](C(=O)O)C2CC2)cc(C#N)n1C	1607523951	AKDXEUOORQFRCA-WTKLMOFPSA-N	313.313	1.519	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@H](C(=O)O)C(C)C)cc1	1604781908	NQGCNSBECGPOFA-CQSZACIVSA-N	322.361	1.132	50	20	DDGD	
O=C(COc1ccc(-c2nn[nH]n2)cc1)NNc1ccccc1	1609530838	AXMKNIKBTUCLBE-UHFFFAOYSA-N	310.317	1.389	50	20	DDGD	
O=C(NNC(=O)C12CC(C(=O)O)(C1)C2)c1ccc(Cl)cc1	1601553536	LLWPLFSYVGJZGN-UHFFFAOYSA-N	308.721	1.356	50	20	DDGD	
C[C@](C#N)(CC(=O)O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1602780567	IXYQIONOYJHBKH-WHGOUJPWSA-N	303.156	1.281	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccnc(C(=O)O)c1	1610700891	YHKKXKXHUIRRMK-UHFFFAOYSA-N	302.246	1.445	50	20	DDGD	
Cc1nccn1CCCC(=O)NNc1cccc(C(=O)O)c1	1610565409	NMJRORTWZNHYGM-UHFFFAOYSA-N	302.334	1.813	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=C[C@@H]1CCCO[C@@H]1c1nccn1C	1552763514	VSOUTBCMEOSUOL-FQUUOJAGSA-N	320.393	1.415	50	20	DDGD	
Cc1ccc2c(C(=O)NNC(=O)[C@H]3CCCNC3)csc2c1	1579737041	LGFKKBFBAJOGJR-NSHDSACASA-N	317.414	1.970	50	20	DDGD	
CCc1nccc(C)c1NC(=O)NNC(=O)CCCCCN	1578297572	BONYGOFWNARWSU-UHFFFAOYSA-N	307.398	1.624	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@@]1(C)CCNC1	1574014955	TUWRCCZQYCEOSW-AWEZNQCLSA-N	311.769	1.109	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCNCC2CC2)c2ccccc21	1579952969	BETOIOPVUSYPQE-UHFFFAOYSA-N	314.389	1.329	50	20	DDGD	
O=C(NNc1ccc(F)cn1)[C@@H]1CNC[C@H]1Cc1ccccc1	1580739845	QKUIELNKVSCQGE-UKRRQHHQSA-N	314.364	1.742	50	20	DDGD	
CC(C)Oc1cccnc1C(=O)NNc1ncccc1C(=O)O	1588941135	KRIWFKWUJLDOAZ-UHFFFAOYSA-N	316.317	1.719	50	20	DDGD	
C/C=C(\C)C(=O)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846389042	WYVAACYMAHAQOJ-YCRREMRBSA-N	305.205	1.960	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cc(C)c(C(=O)O)cn1	1588435668	WWEYITQLZPLIHB-UHFFFAOYSA-N	304.306	1.044	50	20	DDGD	
CC(C)(C#N)C(=O)N1CCCC12CN(C(=O)C(Cl)Cl)C2	1841138739	WCLJPZUSCGSZIE-UHFFFAOYSA-N	318.204	1.543	50	20	DDGD	
C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC=C(C#N)CC1	1589889325	JJNNAOHFNSPFCE-GFCCVEGCSA-N	322.372	1.728	50	20	DDGD	
CCCC[C@@H](O)CCC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1590582055	MBVYMJCGXGAURS-LLVKDONJSA-N	319.369	1.036	50	20	DDGD	
C[C@@H]1O[C@H](C)C[C@H]1NC(=O)NNc1cccc(-c2nn[nH]n2)c1	1590200356	PYSMRMJABDNMMC-VDDIYKPWSA-N	317.353	1.059	50	20	DDGD	
Cc1cccc(Br)c1NNC(=O)[C@@H](C)C(=O)O	1594386196	GNGCRUVKNMSQJW-SSDOTTSWSA-N	301.140	1.921	50	20	DDGD	
CCCCOc1cc(C=NNC(=O)NCC(=O)O)ccc1OC	1595774610	WODQYOQTWYTSCE-UHFFFAOYSA-N	323.349	1.592	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccccc1C(=O)O	1593124538	JXWHZUVHPJRVBT-SECBINFHSA-N	323.349	1.741	50	20	DDGD	
CC(=NNC(=O)c1ncccn1)c1cc(C(=O)O)c(C)nc1C	1776081473	QLUVMNPWIFIPDK-UHFFFAOYSA-N	313.317	1.341	50	20	DDGD	
N#C/C(=C/c1ccc(=O)[nH]c1)C(=O)Nc1ccc(C(=O)O)cc1	1776130427	NZMARVXZTJGPPA-GHXNOFRVSA-N	309.281	1.619	50	20	DDGD	
O=C(NNC(=O)c1cc(O)nc2ccccc12)c1ccccn1	17329000	RHHCQHGOPHBHQI-UHFFFAOYSA-N	308.297	1.410	50	20	DDGD	
C[C@@H]1CC[C@@H](CCC(=O)NNC(=S)Nc2ccccn2)O1	161713602	SNPHSHCRENGMHK-MNOVXSKESA-N	308.407	1.747	50	20	DDGD	
CC(C)NC(=O)NNC(=O)Cc1cccc(OC(F)(F)F)c1	163583369	XDLCDGRRRIYLLN-UHFFFAOYSA-N	319.283	1.867	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2CCOC3(CCCC3)C2)nn1	157337834	VIDZRIUNFSYMLD-GFCCVEGCSA-N	305.382	1.903	50	20	DDGD	
CN(C)C1(CNS(=O)(=O)c2ccc(CCCl)cc2)CC1	397980864	KRFRZWGVQAVKFK-UHFFFAOYSA-N	316.854	1.840	50	20	DDGD	
CN1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC(C)(C)CCl	919837363	WGUADZREIDLPOG-NWDGAFQWSA-N	308.875	1.750	50	20	DDGD	
C#CCNC(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1	9977469	FMZSMUUGPPYOHZ-UHFFFAOYSA-N	305.334	1.060	50	20	DDGD	
O=C(NCc1cccc(C(F)(F)F)c1)NNC(=O)C1CC1	54025831	QHCZNMFDMCAEMJ-UHFFFAOYSA-N	301.268	1.946	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N(C)Cc1cscn1	109151151	WKTQMPQAQOAFIC-UHFFFAOYSA-N	320.374	1.638	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)[C@H]1COc2ccccc2C1	172644218	OCDPPJFUULBEMT-SNVBAGLBSA-N	310.317	1.047	50	20	DDGD	
CC(C)N1CC[C@H](NC(=O)NNc2cccc(C#N)c2)C1=O	114835877	DVYJEYYVKCZRCN-ZDUSSCGKSA-N	301.350	1.194	50	20	DDGD	
CCCC(=O)N1CCC[C@@H]1C(=O)NNc1cccc([N+](=O)[O-])c1	178867460	AWLMSJLTJNGDKC-CYBMUJFWSA-N	320.349	1.829	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)c1ccc[nH]1)c1ccc(C)o1	175687205	JOVREVFGOZUBFM-LLVKDONJSA-N	306.322	1.248	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)[C@@H]1CCCN1S(C)(=O)=O	179006145	FFXLIKXJHHQJGB-LBPRGKRZSA-N	315.370	1.001	50	20	DDGD	
CCCOc1c(Cl)cc(C(=O)NNC(C)=O)cc1OC	23198689	HBKDFYGSHBHHFC-UHFFFAOYSA-N	300.742	1.918	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnn(Cc2ccccc2Cl)c1	65190471	MIELNQNDTNIMFJ-UHFFFAOYSA-N	321.768	1.549	50	20	DDGD	
Cc1nc(C(F)(F)F)ccc1C(=O)NNC(=O)NC1CC1	64427770	BPTRLDMRWBNAEZ-UHFFFAOYSA-N	302.256	1.515	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)Cc2ccccc2F)n(C)n1	66906553	BMSZTGGTSHPCEG-UHFFFAOYSA-N	305.313	1.263	50	20	DDGD	
O=C(NC[C@@H]1CC=CCC1)NNC(=O)c1cccc([N+](=O)[O-])c1	69240226	ATSSZJSBDPGRRN-LLVKDONJSA-N	318.333	1.895	50	20	DDGD	
Cc1ccn2c(=O)c(C(=O)NNc3cc(C)nc(C)n3)cnc2c1	172373705	NDYUVOIPHHVTJC-UHFFFAOYSA-N	324.344	1.167	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)c1cnn(C)c1)c1ccccc1Cl	172081421	LIPWBZLFUMXTJE-JXMROGBWSA-N	318.764	1.938	50	20	DDGD	
CN(C)C(=O)NNC(=O)CCCCOc1cccc(C#N)c1	110671007	XTUBFTRTOLWGOW-UHFFFAOYSA-N	304.350	1.410	50	20	DDGD	
CC[C@@H](OC1CCCC1)C(=O)NNC(=O)Cc1cccnc1	112815246	YWOCQACHJGLEMG-CQSZACIVSA-N	305.378	1.509	50	20	DDGD	
COc1ccc(-n2ccc(C(=O)NNc3cc(C)ncn3)n2)cc1	172275654	GQZPFNFSUCJRSQ-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
COCc1ccc(C(=O)NNC(=O)NCc2ccco2)cc1	65177296	UBOAMCZNEFGNJI-UHFFFAOYSA-N	303.318	1.570	50	20	DDGD	
CCC(CC)[C@@H](O)CNC(=O)NNC(=O)c1ccc(C#N)cc1	111481937	LQPIDTODJMXQJX-AWEZNQCLSA-N	318.377	1.299	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccccc2C(C)=O)n1	174486181	YKHZCBJKFTWVJN-UHFFFAOYSA-N	300.318	1.753	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCC(=O)Nc1ccc(Cl)cc1	66887857	SZVPMOPZKNRALL-NTMALXAHSA-N	307.737	1.839	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1ccc(C(F)(F)F)nn1)C(C)C	124338823	VOZCOOJXQGDEKK-SNVBAGLBSA-N	319.287	1.099	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccn(-c2ccccc2F)n1	122573845	UWPJOYLSIZUTPN-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
CCOC(=O)NNC(=O)c1cnn(-c2ccccn2)c1CC	71891745	DTDYUDLBHPTKKK-UHFFFAOYSA-N	303.322	1.221	50	20	DDGD	
O=C(NNc1ccc(F)cc1)C(=O)Nc1cnn(CC2CC2)c1	181365079	AXXOMAMPNPABJZ-UHFFFAOYSA-N	317.324	1.514	50	20	DDGD	
CN(C)N(C(=O)C[C@@H]1C=CCCC1)[C@H]1CCS(=O)(=O)C1	186248657	DMJYRNMNJQRZAJ-OLZOCXBDSA-N	300.424	1.225	50	20	DDGD	
O=C(NN[C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc[nH]1	123659096	IELWMGGZEUYGKO-AWEZNQCLSA-N	316.336	1.408	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNC(=O)CNc1ccccc1	78400123	UXMDLEYMRLQPSV-UHFFFAOYSA-N	302.334	1.093	50	20	DDGD	
CCc1ccsc1C(=O)NNC(=S)NCCSC	180297872	ZJMLWUXSIWATCW-UHFFFAOYSA-N	303.478	1.782	50	20	DDGD	
O=C(CSc1ccc(F)c(F)c1)NNC(=O)[C@@H]1CCCO1	32258959	VHNYPIDOLQWVEI-NSHDSACASA-N	316.329	1.383	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1	181964821	CZDCBWHHYUNKFW-UHFFFAOYSA-N	318.377	1.731	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccncc2)cc1S(C)(=O)=O	180529839	LGXGEVRIDBFDTA-UHFFFAOYSA-N	305.359	1.550	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])o2)cc1	34200656	BANCJOFLAKSCQM-UHFFFAOYSA-N	305.246	1.271	50	20	DDGD	
CCc1nc(NC(=O)NNC(=O)Cc2cc[nH]n2)sc1C	186270981	UWNGYUQCMHZGDH-UHFFFAOYSA-N	308.367	1.132	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCc3[nH]ncc32)s1	134731464	PFWSHUNMXIWPFO-SECBINFHSA-N	304.375	1.661	50	20	DDGD	
C=CCC[C@@H](C(=O)NNC(=O)C(=O)NC(C)C)c1ccccc1	188993115	RMJRDNBUHOAMLO-CQSZACIVSA-N	317.389	1.408	50	20	DDGD	
C=C[C@](C)(CC)C(=O)NNc1nccc(N2CCOCC2)n1	135122822	AAWOSAJXKCSTNP-OAHLLOKOSA-N	305.382	1.359	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)Cc1ccc(-c2ccccc2)cc1	190051823	QGSHIWUPKIAVPC-UHFFFAOYSA-N	312.369	1.814	50	20	DDGD	
O=C(NNc1ncc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1	133145047	STNPLYVPUVMULU-ZCFIWIBFSA-N	324.189	1.266	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C[C@H]1CCCCO1	86990504	ZPCSCUOELHOEJI-VXGBXAGGSA-N	324.352	1.700	50	20	DDGD	
Cc1cc(C)n2nc(C(=O)NNC(=O)CC3CCCC3)nc2n1	195218688	PIJWDPORNVIVEY-UHFFFAOYSA-N	316.365	1.082	50	20	DDGD	
O=C(CCl)N1CCC(CN2C(=O)c3ccccc3C2=O)CC1	1324701725	LQBVTYKHCVZLED-UHFFFAOYSA-N	320.776	1.760	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc([S@](C)=O)cc2)o1	84292428	KPFCCCGSBBOAIW-OAQYLSRUSA-N	306.343	1.400	50	20	DDGD	
O=C(NNc1cnccn1)Nc1cccc(N2CCCC2=O)c1	92224736	PXECHOQDAZKCRB-UHFFFAOYSA-N	312.333	1.752	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)C1CCC1	264817626	WWBGEHGICKHVIB-LLVKDONJSA-N	319.336	1.126	50	20	DDGD	
CCCNC(=O)CCC(=O)NNc1cccc([N+](=O)[O-])c1C	269602264	KZPWHZMVNIPOEP-UHFFFAOYSA-N	308.338	1.653	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cccnc1Br	268160505	PHSZMRVZRYJUCX-UHFFFAOYSA-N	300.156	1.651	50	20	DDGD	
C[C@H]1CCCN(C(=O)C(=O)NNc2nnc(C3CC3)s2)C1	277860912	BRDQYMRZLZERIL-QMMMGPOBSA-N	309.395	1.117	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H](C)c2nnc3n2CCC3)nc1	275924664	HAELHZKDSDNKDZ-SECBINFHSA-N	317.353	1.015	50	20	DDGD	
CCOC(=O)C[C@H](C)CNC(=O)NNc1nc(C)cc(C)n1	270431746	DQIRGMHVSZDSIU-VIFPVBQESA-N	309.370	1.309	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H](c1ccccc1)N1CCCCC1=O	364053786	WPEDOYIFZJWALG-AWEZNQCLSA-N	319.361	1.518	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2cccc(F)n2)c2ccc(F)cc2N1	367750189	ZQOGOWQRDBFBDF-SNVBAGLBSA-N	318.283	1.929	50	20	DDGD	
C[C@H]1CCN(C(=O)NNC(=O)Cc2cccnc2)CC12CCC2	271560069	VUWYZYJGNMMPEP-ZDUSSCGKSA-N	316.405	1.877	50	20	DDGD	
NNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1	270239424	QQUXDWTZMYCNRK-UHFFFAOYSA-N	317.798	1.118	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	368063276	ZPBPRQIRZPHKQP-CORIIIEPSA-N	303.362	1.061	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnn(CC(C)C)c1C(F)F	272687081	PKFTWEUJQIATOP-UHFFFAOYSA-N	317.340	1.783	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@]2(O)CCc3ccccc3C2)cc1	376765513	AYOORZDSLKMHES-SFHVURJKSA-N	307.353	1.921	50	20	DDGD	
CC(=O)CCCC(=O)NNc1nc2ccccc2c(=O)n1C	274648037	CYLWEZCXSGZAIG-UHFFFAOYSA-N	302.334	1.136	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCC2([C@@H](O)C(C)C)CC2)n1	279724963	VDKBJDULYRUUAO-ZDUSSCGKSA-N	320.393	1.131	50	20	DDGD	
CCC[C@@]1(CO)CCCN1CC(=O)NNC(=O)c1ccccc1	277803717	PNXRNEVYJRPDFK-KRWDZBQOSA-N	319.405	1.075	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(NCC3CC3)nc2)o1	282051415	AEKCLGPSEUBPED-UHFFFAOYSA-N	314.345	1.880	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2cccc(F)n2)[C@]12CCCO2	286937466	VRGMJQATJRGMFA-UEKVPHQBSA-N	324.356	1.573	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)Cc1cccc2ccccc12)C1CC1	286267479	LHYHQCHTPXZPOA-GOSISDBHSA-N	312.369	1.691	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@](C)(O)C1CC1	286515788	XWTKOZKAPQMLIU-CQSZACIVSA-N	312.753	1.271	50	20	DDGD	
Cn1nnc2c1C[C@@H](C(=O)NNc1c(F)cccc1Cl)CC2	291280893	MCXZUKJVSNHLAD-QMMMGPOBSA-N	323.759	1.856	50	20	DDGD	
COCCN(C)NC(=O)c1ccc2nnc(C(C)(C)C)n2c1	297055082	KLFWZLPTOMGKTI-UHFFFAOYSA-N	305.382	1.250	50	20	DDGD	
CSSCCNC(=O)N(CCN(C)C)C[C@H]1CCCO1	807231915	RREPRGJEMBFUIF-GFCCVEGCSA-N	321.512	1.750	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1cc([N+](=O)[O-])n[nH]1	803351462	PJQUDAWOVXZUBD-UHFFFAOYSA-N	304.266	1.093	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1cc(C(=O)NC)ccc1OC	298802008	FCNVWGJLVKCYBX-PKNBQFBNSA-N	303.318	1.437	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(C(F)F)cc1)c1ccc[nH]1	808071370	XISDKLSSYHGKEW-UHFFFAOYSA-N	315.301	1.576	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C1(CC)CCCC1	808046307	YPIPVEQJORXSKM-UHFFFAOYSA-N	300.399	1.893	50	20	DDGD	
Cn1nnc2c1C[C@@H](C(=O)NNc1cc(Cl)ccn1)CC2	290522781	UMMUOBYVSPNWAK-QMMMGPOBSA-N	306.757	1.112	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802099465	SQGXZXBYRVNBOH-VIFPVBQESA-N	309.322	1.241	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CC(C)C)cc1OC	298814125	VMWZWXMYYQFSBS-UHFFFAOYSA-N	308.378	1.830	50	20	DDGD	
C[C@H](Oc1ccccc1NC(=O)NNC(=O)CO)C(F)(F)F	808869592	LFHBZFYDCLRIHD-ZETCQYMHSA-N	321.255	1.161	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1cc(C)n[nH]1	298781320	HUGNTMMEBLGFHM-UHFFFAOYSA-N	302.334	1.121	50	20	DDGD	
CCOC(=O)COCCOC(=O)/C(C#N)=C\c1ccccc1	805540178	KANWEQZHNXSQMM-UVTDQMKNSA-N	303.314	1.716	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@]23CC[C@@H](CC2=O)C3(C)C)o1	295116446	LYAHADJDBWIWOB-MGPLVRAMSA-N	304.346	1.744	50	20	DDGD	
CC/C=C(\C)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O	809985158	HSHCWCKWKYDJBN-YRNVUSSQSA-N	314.345	1.695	50	20	DDGD	
O=C(O)COc1ccccc1C=NNC(=O)N=c1cc[nH]cc1	815000380	KHQSQNZGRFILRF-UHFFFAOYSA-N	314.301	1.123	50	20	DDGD	
Cc1csc(NC(=O)C(=O)NNc2cccc(Cl)n2)n1	815728438	CRVAQJFEKTYALR-UHFFFAOYSA-N	311.754	1.582	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NOCCOC(C)C)cc1	812950073	VUOCKNSTQZLQNW-UHFFFAOYSA-N	309.366	1.550	50	20	DDGD	
O=C(NCc1ccco1)NN=Cc1ccccc1-n1cncn1	814817101	BYMURRATQBNSKM-UHFFFAOYSA-N	310.317	1.694	50	20	DDGD	
CCCCNC(=O)NN=C1COc2c1ccc(OC)c2OC	814815719	AYNZYXPSJGJNGO-UHFFFAOYSA-N	307.350	1.900	50	20	DDGD	
CC(CC1(C(=O)O)CCC1)=NNC(=O)c1ccc(O)c(O)c1	814920747	VCDJGLQCSYEHIC-UHFFFAOYSA-N	306.318	1.849	50	20	DDGD	
COc1ccc(C=NNC(=O)COc2ccccc2O)s1	814952620	INIQGIQGENUWDX-UHFFFAOYSA-N	306.343	1.991	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)Nc2ccc3c(c2)OCO3)C1	819813465	OXBYXGRLMKGENU-UHFFFAOYSA-N	319.317	1.866	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNc2nccnc2Cl)cc1O	816926501	YXECHXYBMMISCH-UHFFFAOYSA-N	306.709	1.795	50	20	DDGD	
COC(=O)c1cnc(C(=O)NNc2cccc(Cl)n2)cn1	817008074	CPSWKKGCXBAOJX-UHFFFAOYSA-N	307.697	1.069	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCCC[C@H]1CCCO	814864729	HXJKPSXYFHOSKG-STQMWFEESA-N	300.399	1.473	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(C(=O)OC)ccc1Cl	810586489	CRWOQHIWSQEMNQ-UHFFFAOYSA-N	313.741	1.481	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ncn(C(C)(C)C)n1	812542803	CSKZUBBOMHOGPL-UHFFFAOYSA-N	317.349	1.577	50	20	DDGD	
NS(=O)(=O)c1cc(C=NNC(=O)C2CCC2)ccc1Cl	814845751	UVMAVCHRZFRNBO-UHFFFAOYSA-N	315.782	1.238	50	20	DDGD	
CCn1ccnc1C(=O)NNc1cccc(S(C)(=O)=O)c1	813510318	VNAWHVLHYAMPFW-UHFFFAOYSA-N	308.363	1.063	50	20	DDGD	
Cc1[nH]c(C=NNC(=O)COc2ccccc2O)cc1C(=O)O	814953080	TXUIXUZCPTVJDF-UHFFFAOYSA-N	317.301	1.256	50	20	DDGD	
COc1ccc(Cl)cc1NCC(=O)NNc1ncccn1	727100756	XCDCUKVFHLCPGG-UHFFFAOYSA-N	307.741	1.694	50	20	DDGD	
Cc1cc2c(cc1C)O[C@@H](C(=O)NNc1ncncc1F)C2	817068249	ZXGSYMHJPGQHFY-CYBMUJFWSA-N	302.309	1.679	50	20	DDGD	
O=C(NNc1ncncc1F)Nc1ccc(-n2cccn2)nc1	814588988	JEMVBKGVSOLAJN-UHFFFAOYSA-N	314.284	1.345	50	20	DDGD	
CC(C)C1CCC(=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1	729636810	AAQOOHOXEOONSY-GLGOKHISSA-N	315.439	1.675	50	20	DDGD	
COc1ccc(COCCCNC(=O)NNC(=O)C(C)C)cc1	727480128	VGRLZEWTKXTJDJ-UHFFFAOYSA-N	323.393	1.588	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=S)NCC2CCC2)cc1	727270939	SLCDEINVFCGSDW-UHFFFAOYSA-N	318.402	1.232	50	20	DDGD	
CCS[C@H]1CCCCN(CC(=O)NNC(=O)C(C)C)C1	827803372	NLXGKWXZUJLZPN-LBPRGKRZSA-N	301.456	1.397	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCNC(C)(C)C)cc1F	821939511	SOWFTNQWKPAUFT-UHFFFAOYSA-N	311.357	1.834	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)c1	822194621	HNMKBZQEPVUIBR-KCQAQPDRSA-N	302.374	1.957	50	20	DDGD	
C[C@@H]1CN(C(=O)/C(C#N)=C\c2cnn(C)c2)C[C@H](C2CC2)O1	491009955	LBPOWFBYSLUYQJ-NCJIVEBISA-N	300.362	1.353	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1c(C)c(C(F)(F)F)nn1C	496320018	DOSADOLPEAARFR-UHFFFAOYSA-N	309.248	1.530	50	20	DDGD	
Cc1ccc(CN(C)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)s1	827307592	SWODDQDPCOEIAT-JQWIXIFHSA-N	311.407	1.654	50	20	DDGD	
CCN(CCO)NC(=O)/C=C/Sc1cc(F)ccc1F	823884731	HTGXZVWVABKQET-VMPITWQZSA-N	302.346	1.916	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1ccc(C#N)cc1	495709671	SMHHPVUDGAYHJY-UHFFFAOYSA-N	316.361	1.923	50	20	DDGD	
O=C(/C=C\C1CCOCC1)NNc1ccc(-c2nn[nH]n2)cc1	826399829	HGNIQWPMKBLVJF-BHQIHCQQSA-N	314.349	1.293	50	20	DDGD	
C#C[C@@H](CC)NC(=O)NNC(=O)c1ccc(OC)c(OC)c1	491285661	DVCUMADQDNGBIU-NSHDSACASA-N	305.334	1.060	50	20	DDGD	
Cc1ccc(NCCCNC(=O)/C(C#N)=C/c2cnn(C)c2)nc1	491132072	MGXOHWKTSIGUOJ-OVCLIPMQSA-N	324.388	1.649	50	20	DDGD	
C[C@@H]1OC(=O)N[C@@H]1C(=O)NNc1ccc(OC(F)F)cc1	496765713	YQFGEPKRHJEFLF-RCOVLWMOSA-N	301.249	1.228	50	20	DDGD	
CO[C@]1(C)C[C@@H](NC(=O)/C(C#N)=C/c2cnn(C)c2)C1(C)C	491044057	BEKVKNXZXHAMJZ-PAQXCSQUSA-N	302.378	1.647	50	20	DDGD	
Cc1cc(C)c2c(c1)CN(CC(=O)NNC(=O)C(C)C)CC2	828974978	MGRZGIPQECMWHT-UHFFFAOYSA-N	303.406	1.465	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CCN1CCOCC1	725731785	KTRFPYLYQMAMOW-UHFFFAOYSA-N	310.306	1.231	50	20	DDGD	
CCCONC(=O)NNC(=O)c1cc(Br)c[nH]1	828232235	NHTWYPVKFJVPHG-UHFFFAOYSA-N	305.132	1.063	50	20	DDGD	
COCc1c(C(=O)N2CC[C@H](B(O)O)C2)oc2ccccc12	585074218	KHMIELPPESAMAV-JTQLQIEISA-N	303.123	1.268	50	20	DDGD	
Cc1ccncc1/C=C\C(=O)NNc1cc(Cl)nc(N)n1	492686844	LRJOPGKJYNEIPJ-IHWYPQMZSA-N	304.741	1.572	50	20	DDGD	
O=C(c1cnc(-c2ccccc2)s1)N1CC[C@@H](B(O)O)C1	585069066	IGTSLIRWNSUPOM-LLVKDONJSA-N	302.164	1.499	50	20	DDGD	
COC(=O)[C@@H]1CCN(C(=O)[C@]2(C)C[C@H]2Br)[C@H]1C	907649170	AOGFMBJAAMTSMR-FNOROQBZSA-N	304.184	1.570	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)NNC(=O)CC(C)(C)C)C2	497091706	UANIZSUEPKSKLW-SRVKXCTJSA-N	323.393	1.213	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCC[C@@H](C2CCCCC2)C1	585007937	DBULMDAGSBQFNP-MRXNPFEDSA-N	315.222	1.799	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1c(F)cc(C(F)(F)F)cc1F	823922217	JIUWMTBTJXUJNN-LURJTMIESA-N	312.238	1.941	50	20	DDGD	
C#CCCCC(=O)NN[C@H](Cc1ccc(Cl)cc1)C(N)=O	901642533	BUCXOVCWEJEAHO-CYBMUJFWSA-N	307.781	1.161	50	20	DDGD	
O=C(CN1CSCCSC1)NNc1ccc(F)cc1	900090409	CAWMSHNJYRKSKK-UHFFFAOYSA-N	301.412	1.966	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2C[C@H]2C(=O)O)c2ccccc2n1	738331865	AFMGQVWVZBBRMS-NWDGAFQWSA-N	313.313	1.025	50	20	DDGD	
O=C(Cn1c(C2CCCCC2)nc2ccccc21)NCB(O)O	585063135	USKCTJVZOHDKIX-UHFFFAOYSA-N	315.182	1.212	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)/C=C\c1ccc[nH]1	493557371	SXCHFPKNHPNGSQ-HJWRWDBZSA-N	314.345	1.296	50	20	DDGD	
COC(=O)N(C)NC(=O)c1sc(-c2cnn(C)c2)nc1C	495762704	OLSPDPQQVRHNRJ-UHFFFAOYSA-N	309.351	1.195	50	20	DDGD	
C[C@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)OC(C)(C)C	491010707	MQUTYXMPWZNYSA-OGGBREFQSA-N	304.350	1.173	50	20	DDGD	
CC[C@@H]1C[C@H]1CNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	836594268	UAEXTJDKRMUGNN-SUNKGSAMSA-N	319.361	1.203	50	20	DDGD	
C[C@@H]1CCC[C@H](NC(=O)NNC(=O)N=c2cc[nH]cc2)[C@@H]1C	837329523	MXOPWUQKBQQZEI-WZRBSPASSA-N	305.382	1.664	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H]2CCCO[C@@H]2c2ccccc2)o1	585018614	NFUWZMCJYDTNOV-WMLDXEAASA-N	315.178	1.217	50	20	DDGD	
COCCN(C)NC(=O)Cn1cc(C(=O)OC)c2ccccc21	837623490	YPUSBTHNUQRTSS-UHFFFAOYSA-N	319.361	1.037	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H]2CCCCO2)cnn1CCC(C)C	833246588	NIYDRPUKICEMKS-AWEZNQCLSA-N	322.409	1.568	50	20	DDGD	
CCCC[C@@H](COC)NC(=O)NNC(=O)[C@@H]1CCCCO1	836314879	VXZRABLGYBXPSW-RYUDHWBXSA-N	301.387	1.091	50	20	DDGD	
O=C(Nc1ccccc1)N1CC[C@@H](NS(=O)(=O)CCl)C1	831416407	PUZOBLIALRNJOF-LLVKDONJSA-N	317.798	1.409	50	20	DDGD	
C[C@]1(C(=O)Nc2n[nH]c3nc(O)ccc23)C[C@H]1Br	908317205	WUDGPSNBSKQTLT-KBUNVGBDSA-N	311.139	1.776	50	20	DDGD	
COC(=O)CC(=O)NNC(=O)CSc1ccc(Cl)cc1	905112782	IDRTZUOCFLHCKJ-UHFFFAOYSA-N	316.766	1.143	50	20	DDGD	
C[C@@]1(C(=O)Nc2cccc(-c3nn[nH]n3)c2)C[C@H]1Br	905543692	MSJCKFMGSQROTB-BXKDBHETSA-N	322.166	1.979	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1ccc2c(c1)OCCO2	838572802	DJAAQYBYGCSURL-UHFFFAOYSA-N	313.313	1.924	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NNc1ccccn1)c1ccccc1	731222009	SHZSOUJSBFQPGP-UHFFFAOYSA-N	313.361	1.717	50	20	DDGD	
CCc1ccc(C=NNC(=O)[C@@H](C)CN2CCOCC2)s1	731150824	IHGDHYIFOIVQRM-LBPRGKRZSA-N	309.435	1.729	50	20	DDGD	
COc1cccc(C2(C(=O)N3CC[C@@H](B(O)O)C3)CCCC2)c1	585071349	QTPWUSPFICOJEF-CQSZACIVSA-N	317.194	1.582	50	20	DDGD	
C[C@H](CNC(=O)[C@]1(C)C[C@H]1Br)Cn1cccn1	906218845	OILYWKPBTRZBQF-CKYFFXLPSA-N	300.200	1.809	50	20	DDGD	
O=S(=O)(CCl)NC[C@H](O)c1c(F)cccc1Cl	830664247	PPXMCTMORUDTEK-QMMMGPOBSA-N	302.154	1.628	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1CCC2(CCCC2)CC1	584997828	LPPNTFFSTUHOIG-UHFFFAOYSA-N	305.158	1.302	50	20	DDGD	
OB(O)c1ccc(CNCCCOC2CCCCC2)c(F)c1	585015458	ZIEWTHCSJJHZSK-UHFFFAOYSA-N	309.190	1.335	50	20	DDGD	
COc1cc(NNC(=O)C[C@@H]2CCC(=O)N2C)ccc1Cl	834716942	ZPUABKUOULDVCH-JTQLQIEISA-N	311.769	1.803	50	20	DDGD	
COc1cccc(C=NNC(=O)Cn2nc(C)cc2C)c1OC	916342914	DIBMXDUFSIJUTJ-UHFFFAOYSA-N	316.361	1.667	50	20	DDGD	
CSc1cc(C(=O)N2CC[C@H](B(O)O)C2)ccc1NC(C)=O	585078489	ZSYYUUBOJPPNRB-NSHDSACASA-N	322.195	1.056	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)OCCCF)cc(-c2nn[nH]n2)n1C	737213338	RPIXWWAESWQHFF-IZZDOVSWSA-N	318.312	1.323	50	20	DDGD	
COc1ccccc1CC(=O)NN=CCCc1cnn(C)c1	834944412	NBVHFVIORXWXME-UHFFFAOYSA-N	300.362	1.706	50	20	DDGD	
CCOC(=O)N1CCC([C@H](C)NS(=O)(=O)CCl)CC1	831158917	NMNKHMBRTRUEOR-VIFPVBQESA-N	312.819	1.359	50	20	DDGD	
O=C(Cn1ccc(C(F)(F)F)n1)NNC(=O)CC(F)(F)F	915261659	BCBCZNYAECSZKS-UHFFFAOYSA-N	318.177	1.002	50	20	DDGD	
CCOC(=O)COc1cccc(C(C)=NNC(=O)C2CC2)c1	747040983	DAIGXCXTTJHEKP-UHFFFAOYSA-N	304.346	1.879	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1c(C)nc2sccn12	740762460	SGWHOBZBIJFKHE-UHFFFAOYSA-N	321.406	1.459	50	20	DDGD	
C[C@H]1CC(C)(C)CCC1=NNC(=O)N[C@H]1CCS(=O)(=O)C1	748249065	QCKYGCYABBZVGG-QWRGUYRKSA-N	315.439	1.675	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)CCSc2ccc(F)cc2)C1	843754424	SUHQGCANGSCHJH-JTQLQIEISA-N	324.377	1.825	50	20	DDGD	
Cc1ccc(CCCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)s1	843651782	FQZBUTAYJFFDOY-YPMHNXCESA-N	310.419	1.952	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	916094963	GUHDXUWCDDCLBN-XOJFTNBJSA-N	306.406	1.775	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1CCCC[C@H]1S(C)(=O)=O	741456248	QLELFJZQAOZCKM-CYBMUJFWSA-N	317.455	1.178	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1ccc(CCCl)cc1	917725558	VJWCDLYMVOOALG-UHFFFAOYSA-N	318.826	1.824	50	20	DDGD	
Cc1cccc2cc(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)oc12	843647335	MHOAJPNGPBKOQK-PWSUYJOCSA-N	302.330	1.927	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C(=O)c1ccc(Cl)cc1	843649429	VFPLLYJTVGLTSR-KWQFWETISA-N	310.737	1.095	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cccc2c1OC(C)(C)C2	847460795	DPDWUEOVKYWPMQ-UHFFFAOYSA-N	314.345	1.506	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)N1	845855339	OZPJINFIAWRGQC-SECBINFHSA-N	324.189	1.128	50	20	DDGD	
C[C@H]1CC2(CCOCC2)CN1C(=O)/C(C#N)=C\c1cnn(C)c1	844093943	LRPHAFOALSRSNC-XKBFBRDOSA-N	314.389	1.745	50	20	DDGD	
COCCOc1ccc(C=NNC(=O)[C@@H]2CCO[C@H]2C)cc1	842552964	DATGJKYVKXWGQZ-SWLSCSKDSA-N	306.362	1.587	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H]2CC[C@@H]2C(N)=O)cc1C	848107389	CJHLUYOEQAXRJB-QWHCGFSZSA-N	319.361	1.126	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)[C@H]1C[C@H]2C=C[C@H]1CC2	842526683	ALWWXZJYISXWSR-MROQNXINSA-N	313.423	1.019	50	20	DDGD	
CCc1nnc(C(=O)NNc2ccc(CC(=O)OC)cc2)s1	911878326	VUOJLALVQKPQIF-UHFFFAOYSA-N	320.374	1.573	50	20	DDGD	
CCN(CCc1ccccc1)CC(=O)NNC(=O)C(C)(C)C	744386552	HUKMDQNZCXAQJS-UHFFFAOYSA-N	305.422	1.745	50	20	DDGD	
CC(=O)N[C@H](C(C)=NNC(=O)C(C)(C)O)c1ccccc1F	841636963	DERMSRPPWWSXNN-CYBMUJFWSA-N	309.341	1.266	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNc2ncc(Br)cn2)O1	848321880	HNPGIIGWVHSPHH-BHNWBGBOSA-N	315.171	1.496	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)[C@H]1Cc2ccccc21	742033042	FBTNDPLKXLEBDU-AWEZNQCLSA-N	320.352	1.524	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCN(C)C1CCCCC1	843972196	TXPFGWCRRLWRFC-OCCSQVGLSA-N	311.426	1.213	50	20	DDGD	
CC(C)c1nnc(CCC(=O)NNc2ccnc(N(C)C)n2)o1	746891753	JBWIMIAYZUAYHY-UHFFFAOYSA-N	319.369	1.125	50	20	DDGD	
C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NNC(=O)NCC1CC1	747367129	OIBQBKJSCVFDTC-BDJLRTHQSA-N	305.378	1.282	50	20	DDGD	
Cc1nn(-c2ccccc2Cl)cc1C=NNC(=O)CN(C)C	848405655	SRZDXRMLGCRHAL-UHFFFAOYSA-N	319.796	1.846	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)[C@H](C)OCCOC)[C@@H]1CC1(C)C	842190744	NUPCURYOQFDHTM-SRVKXCTJSA-N	315.414	1.193	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)N2CCOCC2)cc1OC	745602660	MAOYULNWKOKIHA-UHFFFAOYSA-N	307.350	1.470	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2[C@H]3CCC[C@H]23)cc1OC	748838560	OBWCTVBCLIYJAS-QWRGUYRKSA-N	304.346	1.511	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1F)NOC[C@H]1CCOC1	922151043	WPDCNLKKDXWUTN-ZETCQYMHSA-N	305.256	1.698	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1C	843640044	APTKTHBQHIYAOH-HIFRSBDPSA-N	320.389	1.645	50	20	DDGD	
Cc1cc(C(=O)NNc2ncc(Br)cn2)c(C)n1C	848320534	VZIQQEIPKWPHJZ-UHFFFAOYSA-N	324.182	1.951	50	20	DDGD	
CC(C)[C@@]1(C)C[C@@H]1C(=O)NNc1ccccc1S(N)(=O)=O	842262061	PXQVNHFOLOXNTF-QMTHXVAHSA-N	311.407	1.459	50	20	DDGD	
Cc1cc(C)c2c(N)c(C(=O)NN=Cc3cc[nH]n3)sc2n1	755609862	GAHOHOWYMMCLOR-UHFFFAOYSA-N	314.374	1.982	50	20	DDGD	
C[C@@H]1C(=O)Nc2cc(C(=O)NNc3cnccn3)ccc2N1C	750236254	NUTHKLVEYCQGLP-SECBINFHSA-N	312.333	1.010	50	20	DDGD	
Cc1cc(Cl)nc(C(=O)NNC(=S)NC(C)(C)C)c1	929427986	BCZAQYBGVZBORJ-UHFFFAOYSA-N	300.815	1.951	50	20	DDGD	
CSCCC=NNC(=O)C1CCN(c2ncccn2)CC1	755699709	BMTHCTGUPVPZGS-UHFFFAOYSA-N	307.423	1.548	50	20	DDGD	
O=C(CCC[C@H](O)c1ccccc1)NNC(=O)c1ncccn1	854953592	WEDPYAWRZKWLIT-ZDUSSCGKSA-N	314.345	1.142	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C#Cc1cccs1	854388550	OXNSGDJPLYUHDK-UHFFFAOYSA-N	310.375	1.036	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)OCC(F)(F)F)[C@]12CCCO2	853428849	XQGJQFCUVNMXER-MWLCHTKSSA-N	310.272	1.989	50	20	DDGD	
C=CCCOCCNC(=O)NNC(=O)c1ccccc1OC	757026856	LIMKGOIXBBTHJD-UHFFFAOYSA-N	307.350	1.232	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@@H]2CC[C@@H](O)C2)C[C@H]1Br	856954723	KQNSOMQIOXIPPC-DNRKLUKYSA-N	305.216	1.620	50	20	DDGD	
Cn1nc(C(=O)NNc2cc(Cl)ccc2Cl)ccc1=O	752809853	IXYAVEKCZVSCGR-UHFFFAOYSA-N	313.144	1.844	50	20	DDGD	
CCc1ccc(C#CC(=O)NNC(=S)N[C@H](C)C2CC2)cc1	855095737	RGQOLHHNUQUDFV-GFCCVEGCSA-N	315.442	1.894	50	20	DDGD	
CCCCNC(=O)NN=Cc1cn(C)nc1-c1ccncc1	920751425	YYFNXXXWGNSEGG-UHFFFAOYSA-N	300.366	1.915	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1cnc2n1CCCC2	750795208	NVEILKBWUMDSKD-UHFFFAOYSA-N	302.294	1.280	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C	854919776	FGBJELXGOKDHNL-IUCAKERBSA-N	318.443	1.003	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2c[nH]nc2C)cc1F	755923200	IDKLSXRTEBTBNB-UHFFFAOYSA-N	307.285	1.332	50	20	DDGD	
C#CCN1CCC(C(=O)NC[C@@]2(C)C[C@@H]2Br)CC1	857400267	HMYDENPPFMBNSG-GXTWGEPZSA-N	313.239	1.621	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)COc2ccc(C)cc2)n1	752401179	YVOWFRHZFJMSGJ-UHFFFAOYSA-N	315.329	1.239	50	20	DDGD	
CCOC(=O)NNC(=O)c1sc(N2CCCC2)nc1Cl	920275209	OBUZEKVELMPQSH-UHFFFAOYSA-N	318.786	1.788	50	20	DDGD	
COc1cccc(NCC(=O)NN=Cc2cnc3ccccn23)c1	755585407	SXQQZCLJTQAZMF-UHFFFAOYSA-N	323.356	1.905	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1cc(Br)c[nH]1)C1CC1	853284026	MNWNGJHOAADRFL-JTQLQIEISA-N	300.156	1.918	50	20	DDGD	
Cc1nnc(NNC(=O)c2cnn(CCC(C)C)c2C)nc1O	750530000	ANHJGUNJQHWGOY-UHFFFAOYSA-N	319.369	1.194	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1nccn1C	755483919	KJGOVODIZULNLE-AWEZNQCLSA-N	314.345	1.490	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)c1cnc2[nH]nnc2c1	755573631	SZJCZTTVZGBFSA-UHFFFAOYSA-N	308.223	1.527	50	20	DDGD	
NC(=O)[C@H]1CCC[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2F)C1	855627087	VHWZRKVEPDROTM-DTWKUNHWSA-N	324.312	1.469	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(C)ccc1-n1cc(C)cn1	757743388	OZKAOPSZQSBXIB-UHFFFAOYSA-N	317.349	1.288	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCCc2cccs2)[nH]1	751716729	JNPVUTGUVXDYTB-UHFFFAOYSA-N	303.347	1.135	50	20	DDGD	
CCOCCCN1CCC(=NNC(=O)c2cc(C)[nH]n2)[C@H](C)C1	764793949	VKVMFVTUICYTJT-GFCCVEGCSA-N	321.425	1.572	50	20	DDGD	
CC(=O)N1CCC[C@@H](C(=O)NNCC(F)(F)C(F)(F)F)C1	863090991	IXSNWSGYJLACSY-MRVPVSSYSA-N	317.258	1.063	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2ccc(C(C)C)nc2)n[nH]1	869013872	ATFNGVJCIDNNIW-UHFFFAOYSA-N	301.350	1.240	50	20	DDGD	
CC(C)[C@H](NC=O)C(=O)NNc1ccccc1OC(F)(F)F	860980375	SUQQWBPDEGOXDB-NSHDSACASA-N	319.283	1.799	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1	761729795	DZCSMKPHKTUJSZ-MRVPVSSYSA-N	317.305	1.191	50	20	DDGD	
CC(C)COC[C@@H](O)CNC(=O)[C@@H](Br)C(C)(C)C	768264973	PDRUNHGVLOIYHE-WDEREUQCSA-N	324.259	1.946	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cc2ncccn2n1	869455130	QIGGVHIRMWMIKF-UHFFFAOYSA-N	309.198	1.161	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]c1=S)[C@@H]1C[C@H]1[N+](=O)[O-]	862294314	GYFYILYBGMYGQP-HZGVNTEJSA-N	305.319	1.401	50	20	DDGD	
CO[C@H](CC(=O)NNC(=O)c1cc(C)cs1)C(F)(F)F	862479904	GKNPLQAPEWBFSR-MRVPVSSYSA-N	310.297	1.785	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNc1nc2ccccc2[nH]1	768499606	JLRVWBXPQOEQSK-UHFFFAOYSA-N	303.366	1.703	50	20	DDGD	
COc1ccc(C=NNC(=O)CNC(=O)c2ccco2)s1	763169174	RGWMDJISQSWRDU-UHFFFAOYSA-N	307.331	1.230	50	20	DDGD	
COCCOCC(=O)NNC(=O)CC(C)(C)C1CCCCC1	869906728	QNNSOJYVWQCHCI-UHFFFAOYSA-N	314.426	1.793	50	20	DDGD	
CN1CCC[C@H](OC(=O)/C(C#N)=C\c2ccc(O)cc2)C1=O	764552142	MXTSORNBASVZFF-UQTJOTSZSA-N	300.314	1.463	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNc1cc(C#N)cc(Cl)n1	768711732	SOKAOWSFLQZKRF-UHFFFAOYSA-N	304.741	1.714	50	20	DDGD	
CCOCC(=O)NN=Cc1c(C(C)C)nc2sc(C)nn12	766701590	ZANKNUCVNMXSOV-UHFFFAOYSA-N	309.395	1.709	50	20	DDGD	
C=CCOCC(=O)NNC(=O)CSc1ccccc1OC	762370197	HHVDMGTYULGOFO-UHFFFAOYSA-N	310.375	1.137	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H]2CCSC2)c1	761783774	CKJGIJSEFXTEMF-LBPRGKRZSA-N	308.403	1.583	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)[C@H]1CCSC1	764042386	HCODQDCZHVGQGE-VIFPVBQESA-N	312.416	1.385	50	20	DDGD	
N#Cc1cnc(C(=O)NN=c2cc[nH]cc2Cl)c(Cl)c1	768444071	LWRICLYTRUMHIQ-UHFFFAOYSA-N	308.128	1.834	50	20	DDGD	
CN=[S@@](C)(=O)c1cccc(NC(=O)NNC(=O)CC2CC2)c1	879834143	ZFXZPYLJQHPAHR-QFIPXVFZSA-N	324.406	1.726	50	20	DDGD	
COCC(=O)NN=Cc1cn(C)nc1-c1cc2ccccc2o1	761819487	XASAUUSQLYGPFY-UHFFFAOYSA-N	312.329	1.930	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCc1cc(Cl)ccc1OC	1119138192	AOOLPGVUWLUMSJ-UHFFFAOYSA-N	315.757	1.804	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CCC(C)(C)C	772139607	MILNAJMZFHXRMU-LLVKDONJSA-N	300.399	1.938	50	20	DDGD	
O=C(CCC(=O)Nc1c(F)cccc1F)NNC(=O)C1CC1	873750452	DWFUDWRMZKQNNM-UHFFFAOYSA-N	311.288	1.241	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@@]1(CCO)CCOC1	773020216	XIRKSVNGXNAJRR-CABZTGNLSA-N	308.216	1.454	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)/C=C(/C)C2CC2)cn1	874954250	QTKVXYWITABLJW-CLFYSBASSA-N	306.391	1.764	50	20	DDGD	
C#Cc1ccc(C(=O)NNc2ccnc(Br)c2)cn1	771540334	IYQABKOZLVYZMC-UHFFFAOYSA-N	317.146	1.977	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1cc2c(cc1OC)C[C@@H](C)O2	875404829	IJEPEHMEPZDAOV-SECBINFHSA-N	323.349	1.431	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccn1C(C)C	772231169	KNTPYMLFEFXODR-GFCCVEGCSA-N	323.393	1.808	50	20	DDGD	
CCOC(=O)C1(C)CC(=NNC(=O)Cc2nc(C)cs2)C1	872339091	YEWLDDRRNUMIOJ-UHFFFAOYSA-N	309.391	1.829	50	20	DDGD	
O=C(CC(F)(F)F)NN=Cc1ncc(C2OCCO2)s1	773054359	KUQNQVLAAUHQDZ-UHFFFAOYSA-N	309.269	1.591	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](C)n2ccnc2)c([N+](=O)[O-])c1	1116304035	DGVXUORMIVWXRQ-SECBINFHSA-N	305.294	1.504	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(C(C)(C)C)nn1)c1ncn(C)n1	1116687528	ZYIPKKKLTNPCCA-VIFPVBQESA-N	318.385	1.290	50	20	DDGD	
C[C@H](NCC(=O)NNC(=O)c1cccc(C#N)c1)c1ccccc1	774770953	SFFYUTCUJJGEAG-ZDUSSCGKSA-N	322.368	1.670	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H](C)c1c(F)cccc1F	1116418419	UDVOLMIYVROCBC-MRVPVSSYSA-N	301.362	1.972	50	20	DDGD	
Nc1cnnc(NNC(=O)CSC(F)(F)F)c1Cl	1116299898	LFVBUSMLKJFLGG-UHFFFAOYSA-N	301.681	1.408	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ncccc1C(F)(F)F	771328825	AQTMHWSOYQKNEM-UHFFFAOYSA-N	315.173	1.814	50	20	DDGD	
CC(Cc1ccc(Cl)cc1)=NNC(=O)C(=O)N1CCCC1	773208889	SETCEUVVBKEWQM-UHFFFAOYSA-N	307.781	1.997	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1nc(C(F)(F)F)n[nH]1	776253848	JCJQUPPLYXXXRP-UHFFFAOYSA-N	322.291	1.090	50	20	DDGD	
O=C(NNc1cccnc1Cl)[C@@H]1CCCCS1(=O)=O	776170673	PZHAMYRFBKRTJH-VIFPVBQESA-N	303.771	1.145	50	20	DDGD	
COC[C@@H](Cc1ccccc1)NS(=O)(=O)CCCCl	881961209	WDSOHCSBZINFIF-CYBMUJFWSA-N	305.827	1.792	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1nc2ccc(Cl)nc2s1	888788288	WBGSYBNVBVYQIQ-UHFFFAOYSA-N	311.754	1.907	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1nc(Cl)ccc1Cl	883060906	BBEMLMQLRINNLR-UHFFFAOYSA-N	318.160	1.576	50	20	DDGD	
COC(=O)[C@H]1C[C@H]2CC[C@H]1N(S(=O)(=O)CCCCl)C2	882250254	CBINWNZEHXOKGB-OUAUKWLOSA-N	309.815	1.219	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(S(C)(=O)=O)c1)c1cnn(C)c1	776540329	USLSJNUOFOOUBA-JTQLQIEISA-N	322.390	1.070	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1ccc(F)cc1N(C)C	779823193	NUTJEQZDYZRFMS-UHFFFAOYSA-N	310.329	1.088	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC[C@@H]2CO)c1C	889132849	RLYKWFVCUBEXMO-HTRKUNOGSA-N	317.389	1.252	50	20	DDGD	
C[C@H](NS(=O)(=O)CCCCl)[C@@H](O)Cc1ccccc1	882006415	PGXGJPKWRAMDDT-AAEUAGOBSA-N	305.827	1.527	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C1(CNC(=O)OC(C)(C)C)CC1	887146701	ICPPJAXYXVVOST-UHFFFAOYSA-N	323.393	1.242	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CC(N2CCCC2=O)C1	888754170	DXAFHONARIQTLC-JYRVWZFOSA-N	311.341	1.132	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@H]2CC(=O)c3ccccc32)c1	789639696	ZWQVYPOJDOGRKR-HNNXBMFYSA-N	319.320	1.689	50	20	DDGD	
CC[C@@H]1CCC[C@H](C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1	783831302	KFQPFHSNWQHTTH-FRRDWIJNSA-N	315.439	1.675	50	20	DDGD	
COC(=O)c1ccc(OS(=O)(=O)CCCCl)c(C=O)c1	881854863	JEEGFVQBKGFTKR-UHFFFAOYSA-N	320.750	1.623	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CC[C@H](C)C2)cc1	780801574	XRGYPZMUZBYEOH-STQMWFEESA-N	305.378	1.893	50	20	DDGD	
CC(=NNC(=O)COc1ccc(F)cc1)c1nccnc1C	783508511	AIQBFIOJVGHQEB-UHFFFAOYSA-N	302.309	1.843	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@H]1CCC(=O)c2cccn21	788726798	BAJMICSHSKKAFR-JTQLQIEISA-N	308.407	1.300	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1sc(COCC)nc1C	887149290	QOPAGXYBUGTORC-UHFFFAOYSA-N	309.391	1.553	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@H](c1ccnn1C)C(C)C	788110707	HGCBVGXGJSSWGE-GFCCVEGCSA-N	309.414	1.536	50	20	DDGD	
C[C@H](C#N)CNC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	781948520	ARDGZLZMURCNKX-NXEZZACHSA-N	320.418	1.977	50	20	DDGD	
C[C@@H]1CCCN1CCNC(=O)NNC(=O)c1cccc(Cl)c1	897473952	ISZYAHFEMHIFGV-LLVKDONJSA-N	324.812	1.768	50	20	DDGD	
Cc1cc(NC(=O)NNc2ccc3c(=O)[nH]ccc3c2)n(C)n1	789706382	QXTSUSHULSLMGQ-UHFFFAOYSA-N	312.333	1.719	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)c1cc2nn[nH]c2cc1F	781947149	PBERQANVSCAMAV-UHFFFAOYSA-N	306.688	1.902	50	20	DDGD	
C[C@@]1(C(=O)NNc2nnc(-c3ccccn3)s2)CCOC1	788563949	XLDWUSMXGNFOLD-CYBMUJFWSA-N	305.363	1.470	50	20	DDGD	
CC(C)(C)OC(=O)Nc1ccc(C=NNC(=O)C(C)(C)O)cn1	785461521	LABVMZJQGUQRDP-UHFFFAOYSA-N	322.365	1.650	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)ccn1	789867621	BUIMPKQNEPQNDG-UHFFFAOYSA-N	300.274	1.373	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)o1	792214736	LNIAFFVDJHMAAP-AWEZNQCLSA-N	322.324	1.603	50	20	DDGD	
Cc1cnc(COCC(=O)NNC(=O)c2ccccc2F)o1	794760305	OKWZWEVXEBUXOH-UHFFFAOYSA-N	307.281	1.100	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc(N)nc(Cl)c2)n1	794074423	AGHGIXUIUTTYET-UHFFFAOYSA-N	305.725	1.095	50	20	DDGD	
CCc1ncsc1NC(=O)NNc1nc2ccccn2n1	792338769	WEYJLZRXWMHWFB-UHFFFAOYSA-N	303.351	1.897	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NNc1ccc(Cl)nn1	798095989	WLQGJRFWXOXWJQ-JOYOIKCWSA-N	311.773	1.737	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(OC)cc1OCCC	798304426	QPDFKMXANDAWPG-UHFFFAOYSA-N	323.418	1.779	50	20	DDGD	
Cc1cnn(C)c1C=NNC(=O)Cn1c(C)nc2ccccc21	794870269	KCMKTAJRNSOLOT-UHFFFAOYSA-N	310.361	1.537	50	20	DDGD	
Cn1nncc1C(=O)NNC(=O)c1c(Cl)cccc1Cl	798426531	AKJSTLSBZNNIKF-UHFFFAOYSA-N	314.132	1.197	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2cnc(C(C)C)nc2)c1	797061151	OHFYSTVGLYIHHH-UHFFFAOYSA-N	314.349	1.385	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNc2nncc(N)c2Cl)cc1	1319220557	SQLMROCOUBEFIK-UHFFFAOYSA-N	305.725	1.672	50	20	DDGD	
Cc1c[nH]cc1C(=O)NNC(=O)c1cncn1-c1ccccc1	1319269083	BXSWAAACMISANC-UHFFFAOYSA-N	309.329	1.584	50	20	DDGD	
CCc1cnccc1CNC(=O)NNc1nncc(N)c1Cl	1323564013	LTQJSTWRCYMMQW-UHFFFAOYSA-N	321.772	1.496	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(C(C)(C)C)nn2)cn1	1328736438	JHOGPESPOICESZ-UHFFFAOYSA-N	301.350	1.935	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1CC(=O)N(C)c2ccccc21	1320102950	LPLMHTDPAQCITD-GFCCVEGCSA-N	318.377	1.267	50	20	DDGD	
OB(O)[C@H]1CCN(Cc2cccc(F)c2Br)C1	585079089	RSTKSIXCDUEDRR-VIFPVBQESA-N	301.952	1.637	50	20	DDGD	
Cc1csc(C(=O)N2CC[C@@H](B(O)O)C2)c1Br	585063552	BYWXJAFSRCBSJY-SSDOTTSWSA-N	318.001	1.508	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1(Sc2ccccc2)CC1	1327150039	ITGLPRAWZWGECS-WCQYABFASA-N	320.414	1.884	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)[C@@H]1CC(c2cnn(C)c2)=NO1	1335896735	IVLOFQZGCLNXTA-ZDUSSCGKSA-N	317.324	1.504	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCN1CC[C@@H](C)C1	1336874446	SVMKAUPLGAUHBA-GFCCVEGCSA-N	304.394	1.281	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CCc2c(C)ncnc2O)n1	1330807560	NGYKSVNBQHHYEA-UHFFFAOYSA-N	322.756	1.318	50	20	DDGD	
C[C@]1(CNC(=O)COCc2ccncc2)C[C@H]1Br	1334835431	VNWXIIKHAFBRKV-DGCLKSJQSA-N	313.195	1.888	50	20	DDGD	
COC1(OC)CC(CNC(=O)NNc2ncncc2Cl)C1	1514697197	YAAATKBURIFNBA-UHFFFAOYSA-N	315.761	1.155	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCCCC[C@H]2C(=O)O)cn1	1600946005	KCOLFWFFKBXSMN-OTAKNEKHSA-N	302.334	1.183	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@H](C(=O)O)C1CCCC1	1602871942	WIWSANAZLNGALW-VIFPVBQESA-N	301.412	1.171	50	20	DDGD	
CCC(CC)(C(=O)O)C(=O)NNC(=O)c1ccc(C)c(O)c1	1603525878	FXWJPRSJFJIBNM-UHFFFAOYSA-N	308.334	1.353	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1nc(CCC(=O)O)cs1	1604918196	GXUHPCOWAHIKNB-ZETCQYMHSA-N	314.367	1.359	50	20	DDGD	
Cc1c(NC(=O)NNc2ncc(F)cn2)cccc1C(=O)O	1600044083	DKWJTSSSBBQHAA-UHFFFAOYSA-N	305.269	1.771	50	20	DDGD	
O=C(O)[C@H](CCF)NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	1601645982	XLPMHPNHIDXCEP-PHGLEFOZSA-N	322.174	1.869	50	20	DDGD	
O=C(C[C@@H]1CCCC(=O)N1)NNc1ccc(C(=O)O)cc1F	1601250065	IMCDHTRELSGLIS-VIFPVBQESA-N	309.297	1.026	50	20	DDGD	
CCNC(=O)N(C)N=CCCc1ccc(-c2nn[nH]n2)cc1	1609229292	QRPFBDIJJWUDAR-UHFFFAOYSA-N	301.354	1.446	50	20	DDGD	
Cc1c(NNC(=O)c2cnc(Cl)n2C)cccc1C(=O)O	1600055652	ZTFOTZBJJIRAHM-UHFFFAOYSA-N	308.725	1.837	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccc([N+](=O)[O-])[nH]2)c(F)c1	1608904686	DUZDQHPLIZVKKE-UHFFFAOYSA-N	308.225	1.517	50	20	DDGD	
CC[C@@H](NNC(=O)c1ccccc1Br)C(=O)O	1609931112	JCBCMTAXDSZEBR-SECBINFHSA-N	301.140	1.547	50	20	DDGD	
O=C(O)C1CN(C(=O)[C@@]2(c3ccccc3)C[C@H]2Br)C1	1601840312	SIHFXFGGXOEHAW-BXUZGUMPSA-N	324.174	1.635	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@H](C(=O)O)C1)OCC(F)(F)F	1601553865	XXOKVMULNPSUES-BQBZGAKWSA-N	312.244	1.197	50	20	DDGD	
N#Cc1cccc(NNC(=O)N[C@H]2CC[C@@H](CC(=O)O)C2)c1	1601120691	GIISHOJMOPDUEZ-PWSUYJOCSA-N	302.334	1.828	50	20	DDGD	
COc1cccc([C@](C)(CC(=O)O)NS(=O)(=O)CCl)c1	1610358244	YHEZCSMNWWAJMK-LBPRGKRZSA-N	321.782	1.501	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1csc(C)n1	1549315919	DAAQRDXRPBRLBW-WCQYABFASA-N	308.407	1.155	50	20	DDGD	
O=C(O)C(=O)NN=C1CCc2cc(Br)ccc2C1	1610714045	GBIPJGMOFJMQKZ-UHFFFAOYSA-N	311.135	1.495	50	20	DDGD	
O=C(Cc1ccccc1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843363009	MGZNRMXIAHDIDI-AWEZNQCLSA-N	324.783	1.967	50	20	DDGD	
O=C(C#CC1CC1)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846386726	RRIHIWFGKQLCFB-UHFFFAOYSA-N	315.200	1.407	50	20	DDGD	
C#Cc1ccc(NC(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1	1588374817	PKXSIQSJYNRMST-UHFFFAOYSA-N	319.328	1.997	50	20	DDGD	
O=C(O)[C@@]1(C(=O)NNc2ccc(OC(F)F)cc2)CCCO1	1594866706	AISPIFYYYKUXKQ-ZDUSSCGKSA-N	316.260	1.365	50	20	DDGD	
O=C([C@@H](O)CCl)N1CC2(CCCN2C(=O)c2ccccc2)C1	1844847988	BYMDPZATWOMFBS-ZDUSSCGKSA-N	322.792	1.103	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)c1ccnc(-c2nn[nH]n2)c1	1593164122	UPUOVYMCCGEUEX-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
CCc1ccc(CC(=O)NNc2ccc(CC(=O)O)cc2)nc1	1597521288	NVGCSFXLYNURJV-UHFFFAOYSA-N	313.357	1.957	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](C(=O)NNc2cccc(C(=O)O)c2C)C1	1598907482	PDQXAZZTLLWBSG-AOOOYVTPSA-N	306.318	1.336	50	20	DDGD	
C[C@@H]1CCCN1CCNC(=O)NNc1ccc(CC(=O)O)cc1	1594387826	OTVZPGPZKURPAK-GFCCVEGCSA-N	320.393	1.424	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1ccc(/C=C/C(=O)O)cc1	1776129828	YGCWEVMWXOHEFL-XHBXSBNISA-N	314.341	1.844	50	20	DDGD	
C[N+](C)(C)CC(=O)NN=Cc1c[nH]c2ccc(C(=O)O)cc12	1776011671	FELIJFCNLCZGSR-UHFFFAOYSA-O	303.342	1.022	50	20	DDGD	
CCCCNC(=S)NNC(=O)c1ccc(OC)c(OC)c1	16184793	MDJQGPPWSHQEDX-UHFFFAOYSA-N	311.407	1.613	50	20	DDGD	
CCOc1ccc(CC(=O)NNC(=O)c2ccccc2O)cc1	17525919	GHMGRNKMFYQYKF-UHFFFAOYSA-N	314.341	1.795	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNc1ccc([N+](=O)[O-])cc1	150885464	ZATYPZHPSAUAGB-UHFFFAOYSA-N	308.338	1.687	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)c1cc(-c2ccccc2)on1	161193547	HUSMCBDIXBELDB-UHFFFAOYSA-N	317.345	1.775	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C(F)(F)F)c1	161254123	QZHNWZLCEXAXCQ-UHFFFAOYSA-N	303.240	1.120	50	20	DDGD	
Cc1nn(C)c(C)c1OCC(=O)NNc1c(F)cccc1F	162989967	VGEYENXBDRAGSP-UHFFFAOYSA-N	310.304	1.837	50	20	DDGD	
CCCC(O)(CCC)CC(=O)NNC(=O)CNc1ccccc1	158112487	ONPLVBVCRAKJFL-UHFFFAOYSA-N	321.421	1.967	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	160282694	BPVFQOUIZKVCFC-JHJVBQTASA-N	309.410	1.265	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CS[C@H]2CCO[C@H]2C)cc1	163431653	VXPHKBGLYGVIMU-AAEUAGOBSA-N	308.403	1.667	50	20	DDGD	
C[C@@H](CBr)CN1CCC2(CC1)NC(=O)N(C)C2=O	152746200	XCDKLCNIHWMUDK-VIFPVBQESA-N	318.215	1.034	50	20	DDGD	
COCCC1(CNC(=O)NNc2ccc(OC)cn2)CCC1	157571504	MCOVFHDEPOTFEX-UHFFFAOYSA-N	308.382	1.923	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Cc1cc(C)[nH]n1)c1ccccc1	153968979	HJGRUDHCYHQJPL-CQSZACIVSA-N	300.362	1.602	50	20	DDGD	
C[C@@H]1C[C@@H](CC(=O)NNc2ccc(C(N)=O)nn2)CC(C)(C)C1	154417913	CLTAYJFDOYCVLN-MNOVXSKESA-N	319.409	1.871	50	20	DDGD	
CSSCCNC(=O)N1C[C@@H]2CCC[C@]2(C(=O)O)C1	701605193	JJNPZWXZRQFRLD-CABZTGNLSA-N	304.437	1.894	50	20	DDGD	
Cc1nc2cc(F)cc(C(=O)NNc3ncccn3)c2nc1C	52410558	LALBSZKFDIBNDB-UHFFFAOYSA-N	312.308	1.933	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2nc(-c3ccccc3)no2)nc1	107767309	UFFJEJWPUIIPTA-UHFFFAOYSA-N	306.285	1.760	50	20	DDGD	
O=C(CCc1cscn1)NNC(=O)CNc1ccccc1	170929812	OKSTZGXMJZYHPU-UHFFFAOYSA-N	304.375	1.335	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@@H]1C[C@@]12CCc1ccccc12	175781570	JXVMDOCMJLUGCP-QFBILLFUSA-N	321.380	1.676	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CN2CCCCCC2=O)c1	177247898	WDUXOOMYGNDFMB-UHFFFAOYSA-N	309.341	1.680	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)c1F)c1cccc([N+](=O)[O-])c1	102210513	DUPHKPSLMRJVTC-UHFFFAOYSA-N	321.239	1.948	50	20	DDGD	
COCCCC(=O)NNC(=O)c1cccc(OC(F)F)c1	103041352	YAVVTQSSTARLKR-UHFFFAOYSA-N	302.277	1.476	50	20	DDGD	
O=C(Cc1cc(F)ccc1F)NNC(=O)NCC(F)(F)F	173373579	FECZCRZHODHIBG-UHFFFAOYSA-N	311.210	1.400	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)CCc2ccoc2)c1	177051994	NXRZTEUOPZMKDJ-UHFFFAOYSA-N	301.346	1.739	50	20	DDGD	
O=C(NNC(=O)c1cccnc1SC(F)F)c1ccncc1	175395187	DUDTWOMVVSMOCX-UHFFFAOYSA-N	324.312	1.866	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccn(-c2cccc(F)c2)n1	65191561	WOOXWEOYKYDTLM-UHFFFAOYSA-N	317.324	1.365	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cccc(CN2CCCC2)c1	63915860	YGPLVRMSQMQJFH-HNNXBMFYSA-N	317.389	1.222	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2cncc(C)c2)cc1	175140029	NEHBSEXTSNREQT-UHFFFAOYSA-N	314.345	1.272	50	20	DDGD	
CCNC(=O)NNC(=O)c1cccc(OC)c1OC(F)F	65190330	YAZIPMLRRNGYSC-UHFFFAOYSA-N	303.265	1.261	50	20	DDGD	
Cc1cccc(OCCCC(=O)NNC(=O)c2cccn2C)c1	61527802	MFZDBKHIFSKGOL-UHFFFAOYSA-N	315.373	1.954	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnc(OCC)c(Cl)c1	112278431	WKPPXCDRPJVMAW-UHFFFAOYSA-N	314.773	1.878	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccc(OCCOC)c1	67464001	XCMTZWYERZFVNH-UHFFFAOYSA-N	309.391	1.007	50	20	DDGD	
COc1ccc(C(=O)CCC(=O)NNc2ncccn2)cc1	61378319	LJMXLQANMQBWGF-UHFFFAOYSA-N	300.318	1.591	50	20	DDGD	
O=C(NCC1CC1)NNC(=S)Nc1ccc([N+](=O)[O-])cc1	64937134	KGCDXZYMIVTHQB-UHFFFAOYSA-N	309.351	1.505	50	20	DDGD	
COc1c(C)cc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1C	186159581	VSDOKLCKCXFFEQ-UHFFFAOYSA-N	302.334	1.039	50	20	DDGD	
NC(=O)c1ccc(F)c(NC(=O)NNC(=O)CC2CCCC2)c1	184394742	QOQUQVVYIXTRSS-UHFFFAOYSA-N	322.340	1.658	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@@H]2CCN(CC(C)C)C2)n1	181450929	ITPIRWJANKOWJX-ZDUSSCGKSA-N	321.425	1.694	50	20	DDGD	
O=C(/C=C/c1cccc(O)c1)NNC(=O)NCc1ccco1	129886656	BZHAQJSNIYDJRM-VOTSOKGWSA-N	301.302	1.529	50	20	DDGD	
O=C(Cn1cnc(-c2ccccc2)n1)NNc1ccnc(F)c1	182496775	QRZGJHFBXQELPF-UHFFFAOYSA-N	312.308	1.623	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)N2CCCCC2)s1	78239798	IZADMSCDHNIWKK-UHFFFAOYSA-N	303.409	1.022	50	20	DDGD	
CNC(=O)NNC(=O)c1cccc(COc2ccc(C)nc2)c1	72568651	WKBIYLCWKUTJDQ-UHFFFAOYSA-N	314.345	1.543	50	20	DDGD	
C=CCC[C@H](C(=O)NNC(=O)N1CCOCC1)c1ccccc1	189063198	SZARHQYZIKTHJP-HNNXBMFYSA-N	317.389	1.809	50	20	DDGD	
CC(C)(C)c1ccc(CCCCC(=O)NNC(=O)CO)cc1	182747657	QEBQIESPYCMMGQ-UHFFFAOYSA-N	306.406	1.837	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H](C)N1CCc2ccccc2C1	134706625	PCKGODLPZUJDFC-LBPRGKRZSA-N	304.394	1.172	50	20	DDGD	
Cc1cc(O)cc(=O)n1CC(=O)NNc1ccc2ccccc2n1	181137881	NAVVVNXBEOOJFM-UHFFFAOYSA-N	324.340	1.554	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)c2cccnc2)cc(O)n1	180711049	OFHWYVQVTUCYNH-UHFFFAOYSA-N	300.318	1.380	50	20	DDGD	
Cc1ccnc(NC(=O)NNC(=O)Cc2ccc(F)cc2)c1	184260728	PKDUQUBPMFJEGQ-UHFFFAOYSA-N	302.309	1.925	50	20	DDGD	
CC(C)OCCCC(=O)NNc1nc(-c2ccncc2)no1	182591155	QVUCECJUQCAMPY-UHFFFAOYSA-N	305.338	1.780	50	20	DDGD	
CC(=O)N1CCC[C@@H]1C(=O)NNc1ccc(C#N)c(Cl)c1	182382708	QZUVAOAXAOSOBK-CYBMUJFWSA-N	306.753	1.666	50	20	DDGD	
CCOc1cccc(NC(=O)NNC(=O)c2cccn2C)n1	130227803	UEDSBBHSVJHAGD-UHFFFAOYSA-N	303.322	1.285	50	20	DDGD	
Cc1nccc(CNC(=O)NNC(=O)c2cccc(Cl)c2)n1	193925028	XQDVFGICKIQASE-UHFFFAOYSA-N	319.752	1.583	50	20	DDGD	
CC[C@@H](NNC(=O)Cc1cccc2ccccc12)C(=O)OC	192830434	UPLTVYWSKKGTEU-OAHLLOKOSA-N	300.358	1.955	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(Cl)s1)NC1CCCC1	49419578	IHPUTEITRMACAM-UHFFFAOYSA-N	323.827	1.837	50	20	DDGD	
CC1CCN([C@H](CNC(=O)NNc2ncccn2)C(C)C)CC1	46254685	CWMPBPCIKQNPJM-CQSZACIVSA-N	320.441	1.859	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCc2cccc(N(C)C)c2)[nH]n1	194530287	BKMIKGXJGNQDQM-UHFFFAOYSA-N	315.377	1.178	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=O)C(C)(C)O)cc1[N+](=O)[O-]	192920497	ONVPEGKDWFIWQS-UHFFFAOYSA-N	309.322	1.250	50	20	DDGD	
O=C(Cc1ccn[nH]1)NNc1ccccc1OC(F)(F)F	190179538	BYPRYLVGPOTMTK-UHFFFAOYSA-N	300.240	1.994	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCc1cncn1C)c1ccccc1	193221389	MTXKDHXVNYMVRV-OAHLLOKOSA-N	314.389	1.694	50	20	DDGD	
CO[C@H](C)CC(=O)NNC(=O)c1cc(-c2ccccc2)on1	195430592	UQZFBYVJAFGITB-SNVBAGLBSA-N	303.318	1.528	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCCCCCC2=O)s1	148946554	VLCBHTJJBQQYGL-UHFFFAOYSA-N	323.418	1.610	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CCOc1ccccc1)n1cccn1	142595128	BANFKGNOKOXLJG-LBPRGKRZSA-N	302.334	1.061	50	20	DDGD	
CNC(=O)CCCN(C)/C(=C/C#N)c1cccc([N+](=O)[O-])c1	269888472	DBWWYRYPINFMJK-RIYZIHGNSA-N	302.334	1.917	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@@]1(C)CCCS1	268364597	VBNXVJZFBUAQQU-OAHLLOKOSA-N	323.418	1.925	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NNc1cccnn1	266950309	UCKDSRDAQJBMDZ-SNVBAGLBSA-N	307.354	1.319	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H](C)CC(C)(C)OC)n1	266955522	LBUZZGKIVLLZAX-SNVBAGLBSA-N	311.386	1.623	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccc(C#N)cc1)N1CCCCCC1	266639313	YBEYZQWNOQNBHO-ZDUSSCGKSA-N	314.389	1.584	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCC(C)(C)C[C@@H](C)O)n1	267002100	YNCWTPJJMARZSD-SNVBAGLBSA-N	311.386	1.217	50	20	DDGD	
CC1(C)CC(C(=O)NNc2nnc(-c3ccccn3)s2)C1	367673071	KRRRNHICURQYFC-UHFFFAOYSA-N	303.391	2.479	50	20	DDGD	
CCCCOc1ccc(C(=O)NN(C)C(N)=O)cc1OCC	272242248	XSLYJQBQIFNDRN-UHFFFAOYSA-N	309.366	1.920	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@H](O)CCc1ccccc1	271093257	UZPCSXKYVGENOL-CQSZACIVSA-N	317.345	1.104	50	20	DDGD	
CCC(CC)[C@H](C(=O)NNc1ncccc1C)N1CCOCC1	276798799	XYHSBCRLOMEQON-OAHLLOKOSA-N	320.437	1.970	50	20	DDGD	
O=C(NC[C@H]1COC2(CCCCCC2)O1)NNc1cccnn1	271956155	FILYXHGKRBGHHM-LBPRGKRZSA-N	321.381	1.569	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CCc1ccccc1C(N)=O	279919790	KHSGDVNNCKAVTP-UHFFFAOYSA-N	307.350	1.274	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(OC(C)C)nc1	274086406	SGWCGUXNQOGBQP-JTQLQIEISA-N	322.365	1.001	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2	277007115	AHTJVULXWSQUIK-MRVPVSSYSA-N	321.337	1.104	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@]2(C)CCCOC2)c1	272638950	NJJUFJKGYOYDBS-INIZCTEOSA-N	306.362	1.338	50	20	DDGD	
CC(C)CN1N=C(C(=O)NNc2ncccc2F)CCC1=O	367497534	MBUUCZNVGVHQMI-UHFFFAOYSA-N	307.329	1.298	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)CSc1ccccc1O	270706813	NLJBIILQQOONIH-GXSJLCMTSA-N	310.375	1.057	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccccc1O[C@@H]1CCOC1	274324026	BOOMNYYDDYCSTQ-LLVKDONJSA-N	322.365	1.552	50	20	DDGD	
CCO[C@H]1C[C@@H](NS(=O)(=O)CBr)C12CCC2	373295865	ISOKLBALIGUKFW-BDAKNGLRSA-N	312.229	1.606	50	20	DDGD	
CO[C@@H](CN)C(=O)NNc1c(F)cc(F)cc1Br	289864259	GREMPYYBZAMBGW-QMMMGPOBSA-N	324.125	1.144	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1ccnn1CCCOC	282673621	PHXKACDYNSIAIP-WYMLVPIESA-N	320.393	1.369	50	20	DDGD	
COC(=O)c1c(C)[nH]c(-c2csc(NNC(N)=O)n2)c1C	283988362	YGLCPOFXYWVNFQ-UHFFFAOYSA-N	309.351	1.537	50	20	DDGD	
COc1ccc(NNC(=O)CCC(=O)c2cnn(C)c2)cc1	280729250	NCIZMVMGIZWDDV-UHFFFAOYSA-N	302.334	1.535	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1	286157047	AYCHNMBANGVTIT-SECBINFHSA-N	307.133	1.756	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNc3ncccc3F)(CC1)C2	375936677	ZFMFEKNHIJXKOB-UHFFFAOYSA-N	307.325	1.787	50	20	DDGD	
O=C(NNc1ncccc1F)N[C@H]1CCO[C@@H]1c1cccnc1	287018660	RCTZKBCWKKCZCZ-QWHCGFSZSA-N	317.324	1.772	50	20	DDGD	
CCOC1CC(C(=O)NNC(=S)Nc2ccccc2OC)C1	286810097	WRBSSJPUUOZXIT-UHFFFAOYSA-N	323.418	1.828	50	20	DDGD	
C[C@@H](COCC(F)(F)F)NC(=O)NNc1ncccc1F	288229275	RUZMKUHNJUUSHB-ZETCQYMHSA-N	310.251	1.814	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NNc1ncccn1	294273652	DLEWPUOUIGKALF-LLVKDONJSA-N	323.397	1.955	50	20	DDGD	
Cn1nnc2c(C(=O)NNc3ncccc3Cl)ccnc21	801619453	ASKOMOJPHWPUBH-UHFFFAOYSA-N	303.713	1.169	50	20	DDGD	
COC[C@H](C)OC(=O)/C(C#N)=C\c1cc(OC)c(O)c(OC)c1	298819610	SBRSKZYGFZCBTP-IUIMMGEKSA-N	321.329	1.894	50	20	DDGD	
COCCN(C)NC(=O)c1nn(-c2ccc(F)cc2)cc1C	294597356	ZMTYXSLDFVSIKH-UHFFFAOYSA-N	306.341	1.543	50	20	DDGD	
Cc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)N=c1cc[nH]cc1	802031806	JOBKVGKNTJTZFY-UHFFFAOYSA-N	315.289	1.187	50	20	DDGD	
CN(C)c1cc(C#N)cc(C(=O)NNC(=O)OC(C)(C)C)c1	292608884	WPPASDHPULIOMB-UHFFFAOYSA-N	304.350	1.794	50	20	DDGD	
C[C@H](O)c1ccc(CNC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	297819091	XJGAKPOOFADQNR-FZMZJTMJSA-N	321.377	1.139	50	20	DDGD	
O=C(NCc1noc2c1CCCC2)NNc1ncncc1F	293480479	XICZYPHNIRNGHK-UHFFFAOYSA-N	306.301	1.309	50	20	DDGD	
O=C(NNc1cccc(F)n1)C(=O)Nc1ccc2[nH]ccc2c1	807391218	KIVQNGYPGXVIPN-UHFFFAOYSA-N	313.292	1.784	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cc(O)cc(C#N)c2)c1	809666449	ZSQUNMIUQKCZEJ-UHFFFAOYSA-N	306.281	1.210	50	20	DDGD	
COc1cccc([C@H](C)NC(=O)NNC(=O)[C@@H]2CCCCO2)c1	296287647	JIYRKBKNJREBFO-FZMZJTMJSA-N	321.377	1.656	50	20	DDGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)CO)c1C	298330932	MYMXMIPGXDTMTO-LRWXDMTKSA-N	319.405	1.716	50	20	DDGD	
Cn1nnc2c1C[C@@H](C(=O)NNc1ccc(F)cc1F)CC2	290271819	PMIJVGUPNLZSPG-QMMMGPOBSA-N	307.304	1.342	50	20	DDGD	
O=C(NNC(=O)N1C[C@@]2(CCCO2)[C@H]1C1CC1)c1ccccc1	297422488	JSMJHVZWFDELOI-PBHICJAKSA-N	315.373	1.684	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)OC2	808932344	KSXJSCUDCYAWMU-UHFFFAOYSA-N	311.297	1.439	50	20	DDGD	
CC(C)C(=O)Nc1nc(CC(=O)NNC(=O)CC2CC2)cs1	294000433	ANDWLOVWCDWCTH-UHFFFAOYSA-N	324.406	1.228	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)c2cccc(OC(F)F)c2)co1	801618733	VVIMSZLAZQGRNY-UHFFFAOYSA-N	311.244	1.659	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1ccc([N+](=O)[O-])cc1C)C(C)C	805377347	ZQQQROHVXCSSJP-CYBMUJFWSA-N	308.338	1.507	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CC1CC1)c1ccccc1[N+](=O)[O-]	819110268	XCSSMDFWMMKQHT-UHFFFAOYSA-N	305.334	1.820	50	20	DDGD	
COC(=O)c1ccc(Cl)c(C=NNC(=O)Cc2cc[nH]n2)c1	814956320	RMSUTTBTLZMMKX-UHFFFAOYSA-N	320.736	1.543	50	20	DDGD	
C[C@H]1C(=NNC(=O)c2cnn(C)c2)CCN1Cc1ccccc1	811643290	AOENUEUPXFGPLB-ZDUSSCGKSA-N	311.389	1.800	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@H](F)C(F)(F)F)cc1	810195308	GHCPWCOQDYTIAF-NSHDSACASA-N	322.258	1.676	50	20	DDGD	
COCCN(C)NC(=O)c1cnn(-c2ccc(Cl)cc2)c1	816562194	CBDARJUOSVLDSE-UHFFFAOYSA-N	308.769	1.749	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=C1CCO[C@@H](C(F)(F)F)C1	815002589	IAGFPVDHNUTIFS-SNVBAGLBSA-N	302.256	1.722	50	20	DDGD	
CNC(=O)c1ccc(C(=O)NNc2ccc(F)cc2OC)cn1	816338118	WJGIPAGPPSSOFV-UHFFFAOYSA-N	318.308	1.346	50	20	DDGD	
COc1cccc(OC)c1C=NNC(=O)N=c1cc[nH]cc1	815001123	ZUOKLWUTVCTRFL-UHFFFAOYSA-N	300.318	1.676	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2snnc2C2CC2)c1	810346782	IHQQTNJSIDKSNA-UHFFFAOYSA-N	313.342	1.362	50	20	DDGD	
Cn1ncc(C=NNC(=O)COc2ccc(F)cc2)c1Cl	814748698	PYCAOHDFMXQWGG-UHFFFAOYSA-N	310.716	1.742	50	20	DDGD	
C=CCn1cc(CNC(=O)[C@H](Br)C(C)(C)C)nn1	819605981	KFQCIAAXCNXLMZ-JTQLQIEISA-N	315.215	1.890	50	20	DDGD	
CCOc1ccc(NNC(=O)CNC(=O)c2ccncc2)cc1	817880129	WVIQOPIUUVHMRJ-UHFFFAOYSA-N	314.345	1.353	50	20	DDGD	
CC(C)c1nn(C)cc1C(=O)NNc1ncccc1[N+](=O)[O-]	819897194	FFTNMPXVPJLDQC-UHFFFAOYSA-N	304.310	1.604	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc(Cn2cncn2)cc1	728607928	HGYYLVFJHLGEEK-UHFFFAOYSA-N	315.377	1.524	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)[C@@H](C)c1ccccc1	826121573	MQZPFFBQBCKGMI-QVHKTLOISA-N	319.405	1.934	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2c(C)nn(C)c2C)cc1	821939884	ANXPMOJXPZZRFR-UHFFFAOYSA-N	300.362	1.674	50	20	DDGD	
CC[C@H](C)[C@H](C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C	495086060	JZVLBYXYRXZIAD-UWVGGRQHSA-N	301.387	1.341	50	20	DDGD	
O=C(Cc1ccc(O)c(F)c1)NNC(=O)NC1CCCCC1	822195922	NZZVJJYXPLCARI-UHFFFAOYSA-N	309.341	1.737	50	20	DDGD	
CN(NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)C1CC1	823245209	NBSYEORWTRNXTG-UHFFFAOYSA-N	316.327	1.906	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)C1CCC(OC[C@@H]2CCCO2)CC1	823922743	MQTMFJFSFAODQX-URGYJCLVSA-N	314.426	1.085	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@@H]1[C@@H]1CCCOC1	828906349	WXNTZOYRSRNAKK-CHWSQXEVSA-N	311.426	1.071	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1ccc(Cl)o1	494450880	FYLIFABIIXEYME-UHFFFAOYSA-N	317.729	1.219	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)cc1	824037556	SSTVEQHZNZUPKY-VNHYZAJKSA-N	301.390	1.991	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)O)c(-c2ccc(-c3nn[nH]n3)cc2)n1	826360168	ZMLHQPBUSAIYGF-WDZFZDKYSA-N	321.300	1.259	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ncc2ccccc2c1O	823762776	KJTGZXKQVIDROX-UHFFFAOYSA-N	302.334	1.685	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NC[C@H]1CCCC[C@@H]1O	491080226	CJXLTYNSDNEPDZ-LJIZWLQASA-N	300.358	1.966	50	20	DDGD	
CCCC[C@H](C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C	496483521	ZPPQTZMHMGZWCU-JTQLQIEISA-N	301.387	1.485	50	20	DDGD	
Cc1ccncc1/C=C\C(=O)NNC(=O)c1ccc(C#N)cc1	492503391	QRKXPNAQKBRNTC-SREVYHEPSA-N	306.325	1.736	50	20	DDGD	
OB(O)c1ccc(-c2noc(CCSC3CCCC3)n2)cc1	585048956	HVACMAKOTDGSEU-UHFFFAOYSA-N	318.207	1.635	50	20	DDGD	
CSC(C)(C)C(=O)NNc1nc2ccccc2c(=O)n1C	827620755	ITTIXIYKNABWPI-UHFFFAOYSA-N	306.391	1.518	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CNc1ccc(C)cc1	824037108	BFRTWFNSJHGREA-KGLIPLIRSA-N	303.362	1.145	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)c1ccc(CN2CCCC2)cc1	584914092	PGVJWKRJYQUKEX-UHFFFAOYSA-N	324.189	1.215	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)c2cccc(B(O)O)c2)C1(CC)CC	584960467	LMCXJDSHXSDPGD-CABCVRRESA-N	319.210	1.080	50	20	DDGD	
C[C@H](NC(=O)[C@]1(C)C[C@@H]1Br)C(=O)NC(C)(C)C	906404952	PFYZKLCFNYZBLW-YVZVNANGSA-N	305.216	1.579	50	20	DDGD	
CC(C)C#CC(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1	825422160	KMTNIYQHIGDQAI-UHFFFAOYSA-N	321.402	1.230	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)c1nc2ccccc2s1	828829559	FWJFODDTMFHJIH-WCBMZHEXSA-N	305.359	1.482	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCc3c(Cl)cccc32)c(F)c1	585020110	NSEXWWHSHBUCEW-MRXNPFEDSA-N	319.572	1.936	50	20	DDGD	
CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NNC(=O)C(C)C	736066383	FNVXVUKEXCWKSL-NEPJUHHUSA-N	312.414	1.010	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)C1(F)CCCC1	495509181	DQCSEJTYPLFPPE-UHFFFAOYSA-N	317.361	1.331	50	20	DDGD	
C[C@@H]1CN(CCC(=O)NNC(=O)CCC(C)(F)F)C[C@@H](C)O1	732259212	AJOJFAMZPHXNAK-GHMZBOCLSA-N	321.368	1.069	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(F)cn1)C(=O)N1CCCC[C@H]1C	731366322	ZASMUIHMFGRCOI-MNOVXSKESA-N	323.372	1.636	50	20	DDGD	
CC(C)OC[C@@H]1CN(C(=O)[C@]2(C)C[C@H]2Br)CCO1	907455659	JWWHFGBJFCOCGU-DMDPSCGWSA-N	320.227	1.812	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NC[C@H]1CC1(C)C	732819745	BJLNHNUCIPZBPB-LLVKDONJSA-N	315.377	1.633	50	20	DDGD	
CO[C@@H]1COCC[C@@H]1CNC(=O)NNc1cc(Cl)ccn1	836575886	SXNLXWIWIHGGPT-MWLCHTKSSA-N	314.773	1.413	50	20	DDGD	
CC(C)N1CCN(CCC(=O)NNc2cccc(F)c2)CC1	901162319	IHHSFTNEQOTALX-UHFFFAOYSA-N	308.401	1.685	50	20	DDGD	
Cc1ccc(C2(CNC(=O)c3cccc(B(O)O)c3)CC2)c(C)c1	584995308	LLNUQAPPOIEYMH-UHFFFAOYSA-N	323.201	1.445	50	20	DDGD	
O=C(NN=Cc1ccc(-n2cncn2)c(F)c1)[C@H]1CCCCO1	834990013	XOLXCWNBYDGEQD-CQSZACIVSA-N	317.324	1.426	50	20	DDGD	
CCn1cc(C=NNC(=O)c2cc(OC)cc(OC)c2)c(C)n1	901141555	GZJQACPBSHYYJW-UHFFFAOYSA-N	316.361	1.993	50	20	DDGD	
OB(O)c1ccc(CNC2CC(OCc3ccccc3)C2)cc1	585036644	NLLLBILGZJMKAW-UHFFFAOYSA-N	311.190	1.204	50	20	DDGD	
CC(=NNC(=O)c1c[nH]nc1C)c1ccc(-c2nn[nH]n2)cc1	735446571	ABFPATCSVZUAPP-UHFFFAOYSA-N	310.321	1.052	50	20	DDGD	
CCc1cc(NNC(=O)c2cnc(C)[nH]2)nc(-c2ccccn2)n1	738538930	SRVFRWUKRVGTCI-UHFFFAOYSA-N	323.360	1.889	50	20	DDGD	
CC(C)c1ccc(O[C@H](C)CNCc2ccc(B(O)O)o2)cc1	585039726	BEFXKYPCCGVZEM-CYBMUJFWSA-N	317.194	1.640	50	20	DDGD	
C[C@H]1CN(CC(=O)NNC(=O)c2cccs2)CC2(CCC2)O1	830728342	DVAFOADFBBLFPH-NSHDSACASA-N	323.418	1.153	50	20	DDGD	
C[C@H]1CC[C@H](CNC(=O)NNC(=O)CCOc2ccccc2)O1	838746192	TVNIFYAWNAKFRX-GXTWGEPZSA-N	321.377	1.353	50	20	DDGD	
CSc1ccccc1CC(=O)NNC(=O)[C@H]1CCCCO1	833242423	KURWBNMSWYAQRB-GFCCVEGCSA-N	308.403	1.668	50	20	DDGD	
C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc(B(O)O)ccc1F	584950549	KMHALGFPDQPYKF-JRPNMDOOSA-N	305.158	1.299	50	20	DDGD	
CCc1ncncc1C(=O)NNC(=O)c1cccc2ncccc12	730225612	OESNFWKNKTVBRV-UHFFFAOYSA-N	321.340	1.662	50	20	DDGD	
CON1CCC(=NNC(=O)COc2ccccc2[N+](=O)[O-])CC1	834927613	OFDPXZNWYXOGHL-UHFFFAOYSA-N	322.321	1.103	50	20	DDGD	
CN(CC(=O)NNc1ccccc1C(=O)O)[C@@H]1CCSC1	833691360	CFTACUOENRPWMW-SNVBAGLBSA-N	309.391	1.265	50	20	DDGD	
CCO[C@H]1C[C@H](NCc2ccc(B(O)O)o2)C12CCCCC2	585029710	RSOKGSJSJLUIOB-KBPBESRZSA-N	307.199	1.177	50	20	DDGD	
C[C@@H](CCOCc1ccccc1)NCc1ccc(B(O)O)cc1	585040446	FKONHQMDNVNBPK-HNNXBMFYSA-N	313.206	1.451	50	20	DDGD	
Cc1ccc(NNC(=O)NCCN2Cc3ccccc3C2)nn1	730023530	NNZSPMYGQJSEBY-UHFFFAOYSA-N	312.377	1.427	50	20	DDGD	
O=C(CCCc1ccccn1)NNC(=O)NCc1ccco1	733138191	ATJRORYZAVKKSG-UHFFFAOYSA-N	302.334	1.528	50	20	DDGD	
CC(C)c1cccc2c1CCN(C(=O)c1cccc(B(O)O)c1)C2	584979683	BGGFRXNQJXLSNV-UHFFFAOYSA-N	323.201	1.688	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1cccc(O[C@H](C)C(=O)O)c1	735411751	SQEQREBXRSNSBQ-SNVBAGLBSA-N	316.317	1.334	50	20	DDGD	
CC1(CNC(=O)NNC(=O)Nc2ccc3c(c2)OCO3)CC1	836337601	XKBRDOWQJBAFBJ-UHFFFAOYSA-N	306.322	1.551	50	20	DDGD	
C[C@H](COc1ccccc1)C(=O)NNc1ccc(C(=O)O)cn1	833518713	JDQPNILREPXWKS-LLVKDONJSA-N	315.329	1.938	50	20	DDGD	
CCN(CC)c1ccc(C=NNC(=O)c2cnn(C)c2)c(O)c1	735411430	ZNEDAHRGUXOJBC-UHFFFAOYSA-N	315.377	1.736	50	20	DDGD	
O=C1CCC(=NNC(=O)CSc2ccccc2O)CCN1	834983604	ZGLJBLGPVBNZQP-UHFFFAOYSA-N	307.375	1.257	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCC2(OC)CCC2)n1	836475437	WDFVGILGEPCFIU-UHFFFAOYSA-N	309.370	1.379	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CN2CC[C@@H](F)C2)cc1C	830480237	PLXIXZRKLFZYEP-SNVBAGLBSA-N	313.398	1.424	50	20	DDGD	
CN1C[C@@H](C(=O)NNc2cccc(Cl)c2Cl)CC1=O	838342538	YGANKNSIWXMFJK-ZETCQYMHSA-N	302.161	1.915	50	20	DDGD	
O=C(NN[C@H](C(=O)O)c1cccnc1)c1ccc(Cl)cc1F	833148939	BJOWDIPTQRVPMK-LBPRGKRZSA-N	323.711	1.934	50	20	DDGD	
CO[C@](C)(C(=O)NNc1cc(O)nc2ncccc12)C1CC1	913989958	VHJALFNSQPJCMU-HNNXBMFYSA-N	302.334	1.594	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccccc1OCc1cscn1	910180067	QOSCHEJKPWTCKQ-NSHDSACASA-N	321.402	1.680	50	20	DDGD	
Cc1nnc(-c2ccc(C(=O)NNC(=O)c3ccncc3)cc2)o1	746092173	VLNUTXZNJSNJCQ-UHFFFAOYSA-N	323.312	1.515	50	20	DDGD	
CC(=NNC(=O)c1cccnc1)c1ccc(S(C)(=O)=O)cc1	916539629	APPQTVJQZVBUHM-UHFFFAOYSA-N	317.370	1.639	50	20	DDGD	
CCO[C@@H](C(=O)NNc1ccnc(N(C)C)n1)c1ccccc1	740114043	NXCBMKKNTILJSP-CQSZACIVSA-N	315.377	1.764	50	20	DDGD	
CC(C)CNC(=S)NNC(=O)c1cc([N+](=O)[O-])ccc1O	743059719	ORPOWZSMTDGVNC-UHFFFAOYSA-N	312.351	1.065	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cc(F)cc2nc[nH]c12	918367040	KEJYHDOSDFYXBY-UHFFFAOYSA-N	304.203	1.415	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=S)N[C@H](C)C2CC2)c(C)n1	912160006	JZJPYJDZKPHCGC-SNVBAGLBSA-N	306.435	1.914	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2	914843252	GYVNJAHZMCPKPO-UHFFFAOYSA-N	321.289	1.275	50	20	DDGD	
COc1cc(Br)ccc1CCCNC(=O)NN	841874304	GBIOZQGXPCDFKL-UHFFFAOYSA-N	302.172	1.563	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCc2ccccc2C1	845217155	WQHXMEMYZKMUGT-RISCZKNCSA-N	318.373	1.281	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNc1nc(-c2ccncc2)no1	841385981	HZFWSIZFGRPIER-NSHDSACASA-N	305.338	1.636	50	20	DDGD	
CCc1nc2ccc(C(=O)NNC(=O)NC)cc2nc1CC	919879392	BSANOUNHNMLRCJ-UHFFFAOYSA-N	301.350	1.328	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1ccc(-n2cncn2)cc1	842553166	DQTBUSDKYIRQHJ-WFASDCNBSA-N	313.361	1.533	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(C)Cc2ccoc2)c1	745983431	NXGHTVCZYVQIHG-UHFFFAOYSA-N	301.346	1.481	50	20	DDGD	
COCC[C@@H](C)CNC(=O)NNC(=O)COc1cccc(C)c1	840403272	UHBHBSWZVNHBAO-CYBMUJFWSA-N	323.393	1.377	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)N[C@@H]3CCNC3)cc2C1	841938572	FYIVNGGTSQSGKU-GXSJLCMTSA-N	322.434	1.179	50	20	DDGD	
NC[C@H](NC(=O)NNC(=O)c1cc2ccccc2o1)C1CC1	841948290	UOMJSKQNQNJJAZ-NSHDSACASA-N	302.334	1.114	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCc2ccn(C)c2)cc1	845022062	MKRKLWAYGJSKFF-UHFFFAOYSA-N	316.361	1.567	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)[C@H]1CC12CCCC2	747344762	HSKDFASMFOHZNA-LLVKDONJSA-N	306.337	1.932	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1ccc2c(c1)CCC(=O)N2	842559563	WBIGXAHDVKUIIH-SMDDNHRTSA-N	315.373	1.837	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc(Cl)c1F	843653642	NYBNKPJUTKKONI-YUMQZZPRSA-N	300.717	1.665	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C1CCOC[C@@H]1CN1CCCCC1	842562521	QQWAGDWQIUAOHY-KKUMJFAQSA-N	323.437	1.406	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NNC(=O)Cc1ccccc1F	746239135	DYHHTKSGVKMTPL-VXGBXAGGSA-N	307.369	1.388	50	20	DDGD	
CC(C)c1ccc(NNC(=O)NC[C@H]2CNCCCO2)cc1	842010296	JADPERRHBBNQOM-OAHLLOKOSA-N	306.410	1.815	50	20	DDGD	
Cc1ncc2n1C[C@H](C(=O)NNc1cnc3ccccc3n1)CC2	845946346	OSGKPEBSXWWGIM-GFCCVEGCSA-N	322.372	1.840	50	20	DDGD	
CCn1cc(CC(=O)NNc2ccc(CC(=O)OC)cc2)cn1	846378014	RKUTYRXFEHDAAD-UHFFFAOYSA-N	316.361	1.304	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@@H]1CCCC[C@H]1CN	841952629	DDDPHCMLQZVQSL-LSDHHAIUSA-N	318.421	1.385	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(F)cc2cccnc12	843658559	FEXURAZJQYIRCH-SKDRFNHKSA-N	317.320	1.560	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1ccccc1O	750938402	CPMPQCXFQZPJEG-UHFFFAOYSA-N	301.302	1.255	50	20	DDGD	
CC(C)CCC(=O)NCC(=O)NC[C@@]1(C)C[C@@H]1Br	857403863	VHPQRMWJGOUIDT-GXFFZTMASA-N	319.243	1.829	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2C[C@]23CCOC3)c1C	855625548	VSZLKMVLQUSQML-WBMJQRKESA-N	304.346	1.651	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2cccc(F)n2)c1	754381495	DLECSAKWDGVGBZ-UHFFFAOYSA-N	317.320	1.678	50	20	DDGD	
Nc1ccc(C(=O)NNC(=O)CC2CC2)cc1OC(F)(F)F	854666491	XAZZHLDEVGAPKQ-UHFFFAOYSA-N	317.267	1.729	50	20	DDGD	
O=C(C[C@H]1CCOC1)NNc1ccnc(Br)c1	754312157	SBIAYHRSTDSSPK-MRVPVSSYSA-N	300.156	1.714	50	20	DDGD	
C[C@]1(CNC(=O)c2ccc3nn[nH]c3c2)C[C@H]1Br	857405314	QFWLIAAABTWALV-ZYHUDNBSSA-N	309.167	1.861	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cccnc1C1CC1	752742510	ZZALASVZQLYVDY-UHFFFAOYSA-N	310.448	1.431	50	20	DDGD	
CCOc1nc2sccn2c1C=NNC(=O)c1cccn1C	753925031	YTWAIVOLQMLZOE-UHFFFAOYSA-N	317.374	1.897	50	20	DDGD	
CN(CCCNC(=O)NNC(=O)c1cn[nH]c1)C1CCCCC1	858118959	COMUVZCDNYAKMO-UHFFFAOYSA-N	322.413	1.008	50	20	DDGD	
CCO[C@@H]1COC[C@H]1NC(=O)NC[C@]1(C)C[C@@H]1Br	856863181	LSWYDEOVLBBVCK-SVDPJWKOSA-N	321.215	1.263	50	20	DDGD	
Cc1cc(OCC(=O)NC[C@]2(C)C[C@H]2Br)no1	857403535	IXULIJQTJVQPQH-KCJUWKMLSA-N	303.156	1.652	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)NC2CC2)c1C(C)C	753493504	YVTFBSLNMUNPQV-UHFFFAOYSA-N	306.366	1.756	50	20	DDGD	
CCC(=NNC(=O)CNc1ccc(OC)cc1)c1nccn1C	755489263	SOMZIGOERVWTCP-UHFFFAOYSA-N	315.377	1.771	50	20	DDGD	
C[C@]1(CNC(=O)c2nccn3ccnc23)C[C@@H]1Br	857389057	XMJPFNBHMNOGAP-QPUJVOFHSA-N	309.167	1.633	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cc2ccncc2s1	853314863	OEQWGNWJCIQFOC-SNVBAGLBSA-N	307.375	1.798	50	20	DDGD	
O=C1C[C@](C(=O)NCC(Cl)Cl)(c2ccccc2)CN1	854450741	HTSNAZYKQKVKHV-CYBMUJFWSA-N	301.173	1.364	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)COC(F)(F)F)c1	929391801	XJLHSXSWVWEDSW-UHFFFAOYSA-N	305.256	1.050	50	20	DDGD	
CC1(C)CC(=NNC(=O)N2CCOCC2)c2ccccc2O1	751525389	FKNOPQBHFQYNFA-UHFFFAOYSA-N	303.362	1.994	50	20	DDGD	
O=C(NC[C@@H]1COCO1)NNc1cc(Cl)ccc1Cl	923853540	JFDCEWUPXJCEKS-MRVPVSSYSA-N	306.149	1.992	50	20	DDGD	
C[C@]1(CNS(=O)(=O)CC2(C#N)CC2)C[C@H]1Br	856754329	GQMNHQXTSFNZOD-RKDXNWHRSA-N	307.213	1.383	50	20	DDGD	
CC(=O)N[C@](C)(C(=O)NNC(=O)NC1CCCCC1)C(C)C	929247215	ZDGAIJSUWQZWRB-HNNXBMFYSA-N	312.414	1.200	50	20	DDGD	
CCC(=O)c1cc(C(=O)NNC(=O)c2cnn(C)c2)ccc1F	757005404	RJXOMGPYMCLTCL-UHFFFAOYSA-N	318.308	1.227	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1cccc(C(F)(F)F)n1	857133273	DWTBIVHWFLYBAS-RNFRBKRXSA-N	302.256	1.055	50	20	DDGD	
CCN1C[C@H](NC(=O)NNc2ccc(Cl)c(C)c2)CC1=O	922725496	YCIASZJTHACBJY-LLVKDONJSA-N	310.785	1.895	50	20	DDGD	
NC(=O)c1csc(C=NNC(=O)CCN2CCCCCC2)c1	755886942	RHYNBDUDZQELKW-UHFFFAOYSA-N	322.434	1.563	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1nnc(C(F)(F)F)s1	755483416	GBYBAUAKWOGRLO-UHFFFAOYSA-N	323.300	1.900	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@@H]1C[C@H]1c1cccnc1)C1CC1	855095610	NEQOQEZGMAHORI-JIMOISOXSA-N	304.419	1.479	50	20	DDGD	
COCCOCc1cc(C(=O)NNc2ccncn2)ccc1F	857520853	QIRXGQGTXRERCB-UHFFFAOYSA-N	320.324	1.536	50	20	DDGD	
CN(C(=O)/C(C#N)=C\c1cnn(C)c1)[C@H](CO)Cc1ccccc1	855136140	MAMFMSVOKXZICO-KZRVJCNKSA-N	324.384	1.389	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@H]1c1ccccn1	751480246	BXOLYKGJKYLOQS-HIFRSBDPSA-N	318.421	1.801	50	20	DDGD	
C[C@H]1CCS(=O)(=O)CCN1C[C@@H](CBr)C1CC1	859278271	OFHKAKWDSNKDEW-CMPLNLGQSA-N	324.284	1.917	50	20	DDGD	
O=C(Cc1ccc(F)c(F)c1)NNC(=O)OCC(F)(F)F	856022098	ZCIFIDVLKVNELG-UHFFFAOYSA-N	312.194	1.827	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CCc2cncnc2)ccc1C	857264111	NVDWKSJNEICPPR-UHFFFAOYSA-N	314.345	1.648	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cccc(C)c1C(=O)N1CCCC1	755801306	JBQOFGQHOPBISS-UHFFFAOYSA-N	318.377	1.794	50	20	DDGD	
O=C(COCC(F)(F)F)NNc1ccc([N+](=O)[O-])cc1F	855621304	OPPBOVPABNSILL-UHFFFAOYSA-N	311.191	1.756	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)COc2ccc(C#N)cc2)o1	753888234	ZDFVLZWPAJYGAB-UHFFFAOYSA-N	313.313	1.229	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2ccc([N+](=O)[O-])cc2F)CCCO1	853842245	CSQLTBICZPMFCH-ZDUSSCGKSA-N	312.301	1.929	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@H](O)CC2)C[C@H]1Br	856958310	KWZCUGIQMOBNCJ-HOSYDEDBSA-N	305.216	1.716	50	20	DDGD	
Cn1ncc2cc(C(=O)NN=c3cc[nH]cc3Cl)cnc21	757418121	ZNULCVIETIOTKK-UHFFFAOYSA-N	302.725	1.196	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)OC[C@@H](CBr)C1CC1	869675291	OHFSBEIRTYVLEW-GHMZBOCLSA-N	306.200	1.865	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=Cc1ccc(C(F)(F)F)s1	863186679	HXQULAURHDXVPC-UHFFFAOYSA-N	314.310	1.262	50	20	DDGD	
C=CCCc1ccccc1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1	861067206	AMOSIPBNRVVSAP-ZDUSSCGKSA-N	316.361	1.237	50	20	DDGD	
Cc1nn(C)c(Cl)c1C(=O)NN=c1cc[nH]cc1Cl	768445314	ZCBLFSADTJAGLH-UHFFFAOYSA-N	300.149	1.609	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H]2CCN(c3ccccc3F)C2)cc[nH]1	862514106	QKLNJWFACZYHOQ-ZDUSSCGKSA-N	314.364	1.921	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCNC(=O)[C@H]1c1ccccc1C	760134232	MGPYTOQLZKPFKF-HFBDAHEESA-N	313.357	1.439	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H](C(=O)NN=c1cc[nH]c(C)c1)C2	862510859	WOLKYKYUIMOQBN-ZDUSSCGKSA-N	313.357	1.515	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(SC)cc1	764085368	WUNHUXUITOGNHT-VIFPVBQESA-N	309.391	1.541	50	20	DDGD	
Cc1nnc(-c2cccc(NCc3ccccc3B(O)O)c2)n1C	864030054	GSNVUJVEQTVUEO-UHFFFAOYSA-N	322.177	1.082	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)c2c[nH]nc2C)[C@@H](C)C1	761267173	ORYALRDIZSYPKZ-ONGXEEELSA-N	306.366	1.803	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@H](C)c1ccc(C)o1	769768080	WSIUXGXURXFQSK-SECBINFHSA-N	301.437	1.550	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CN2CC[C@H](C3CC3)C2)c1	764483275	DEJMESMUFWVACF-HNNXBMFYSA-N	312.373	1.051	50	20	DDGD	
CCO[C@@H]1COCC[C@@H]1NC(=O)NNc1c(F)cccc1F	760129418	YQMJDBNFEZFXSO-NWDGAFQWSA-N	315.320	1.785	50	20	DDGD	
CC[C@H](C)n1nc(C(=O)NNc2nccnc2OC)cc1C	764482295	RNWBHAAZNQHCHP-VIFPVBQESA-N	304.354	1.718	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H]1CCN(c2ccccc2)C1	875095993	BPZDGZVRXWYICG-LBPRGKRZSA-N	306.366	1.425	50	20	DDGD	
O=C(C/C=C/Cc1ccccc1)NNC(=O)N1CCOCC1	874248307	MYWDAYLNNOHPOM-SNAWJCMRSA-N	303.362	1.248	50	20	DDGD	
CC(C)NC(=O)NN=C1C(=O)Nc2c(F)cc([N+](=O)[O-])cc21	774379790	TVRNJPXSXDWIQQ-UHFFFAOYSA-N	309.257	1.098	50	20	DDGD	
CCCn1cc(C=NNC(=O)c2ccc3c(c2)OCCO3)nn1	872340067	KTGXKANGLIRYQJ-UHFFFAOYSA-N	315.333	1.223	50	20	DDGD	
COCC(COC)NC(=O)NNc1cccc(F)c1Cl	875642785	PNRRSZURYGDJEN-UHFFFAOYSA-N	305.737	1.767	50	20	DDGD	
Cc1ccc(-n2[nH]c(C(=O)NNc3ccccn3)cc2=O)cc1	777473725	WVWQIIOOGBYHRD-UHFFFAOYSA-N	309.329	1.626	50	20	DDGD	
C[C@@H](CNC(=O)NNc1c(F)cccc1Cl)S(C)(=O)=O	771342553	GUHUBJQPVGUPBV-ZETCQYMHSA-N	323.777	1.538	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)Cc2ccncc2)c1C1CC1	879070318	VINIRCSAXKNQCX-UHFFFAOYSA-N	313.361	1.179	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C(=O)NNc2ccccn2)c1C	777471541	PBGQAVRLMADVIA-UHFFFAOYSA-N	302.334	1.960	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)CC1)c1nc2ccccc2s1	872437086	AQBKTAJDELWSRA-UHFFFAOYSA-N	323.399	1.591	50	20	DDGD	
CN(C)c1cnc(C(=O)NNc2cc(C#N)cc(Cl)n2)cn1	779679188	VVDZAEBTAPEEKC-UHFFFAOYSA-N	317.740	1.220	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@@H]2OCCc3ccccc32)cc[nH]1	875279244	CKVQFJMDIIROFW-INIZCTEOSA-N	312.373	1.752	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1ccc2nc(Cl)sc2c1	775247918	IQPHLMUAZOSKKQ-UHFFFAOYSA-N	305.768	1.279	50	20	DDGD	
COC(=O)c1cnc(C(=O)NNc2cc(C)ccc2C)cn1	779675583	VEEXFPBBIZFNMX-UHFFFAOYSA-N	300.318	1.637	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)NCCc2cccs2)c(C)c1	779888208	DTOIIWBWZZWVLU-UHFFFAOYSA-N	318.402	1.947	50	20	DDGD	
COc1ccc(CCNC(=O)NNC(=O)C(C)(C)C)cc1O	876392659	ATCSBYAZAJVLQL-UHFFFAOYSA-N	309.366	1.320	50	20	DDGD	
C[C@]1(CNC(=O)NCC(=O)N2CCCC2)C[C@H]1Br	1118752486	OXMICBBACZISQW-BXKDBHETSA-N	318.215	1.082	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccnc(OC2CCCC2)c1	875062206	QDTALJZKMXKMKH-UHFFFAOYSA-N	322.365	1.815	50	20	DDGD	
C[C@@H]1CC[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCCO3)C1	776298500	ZCKSAWDYOUMPFK-GHMZBOCLSA-N	304.346	1.655	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)c1ccncn1	777460959	SHMJSQPRHHHKTG-UHFFFAOYSA-N	306.325	1.634	50	20	DDGD	
O=C(C[C@@H]1CCS(=O)(=O)C1)NNc1ccc(F)c(F)c1	885109942	JPAHOZXBFIKCRA-QMMMGPOBSA-N	304.318	1.233	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cn1ccc2cc(OC)ccc21	780711915	QPEVOBDVORNOJW-UHFFFAOYSA-N	304.350	1.342	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@H](C)NC(=O)OC(C)(C)C	887144471	NZPNUKMFCVUQIM-NSHDSACASA-N	311.382	1.241	50	20	DDGD	
COc1ccc(NNC(=O)Nc2ccc3c(c2)OCO3)nc1	780666971	OACILBMIUJPSEI-UHFFFAOYSA-N	302.290	1.968	50	20	DDGD	
CCC(CC)n1nc(C(=O)NNC(=O)C2CCOCC2)cc1C	883067816	XEKOGIYQRUOWAQ-UHFFFAOYSA-N	322.409	1.740	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(OC(F)F)cc1F	887153338	RERGFBLPENTGTC-UHFFFAOYSA-N	314.263	1.992	50	20	DDGD	
CC(C)n1ncc2cc(NC(=O)NN=c3cc[nH]cc3)cnc21	782017521	RMBFQULJHRQLIB-UHFFFAOYSA-N	311.349	1.978	50	20	DDGD	
CN(C)CC(=O)NN=Cc1cccn1Cc1ccccc1C#N	780215728	BRKSIONSQTZAJH-UHFFFAOYSA-N	309.373	1.420	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	783832529	RBEXFOMBTZRHQN-IJLUTSLNSA-N	301.412	1.285	50	20	DDGD	
C[C@H]1CCCC[C@@H]1OCCNS(=O)(=O)CBr	782417858	JPCDVYYSIZBTFI-UWVGGRQHSA-N	314.245	1.854	50	20	DDGD	
O=C(NNC(=O)C12CCC(CC1)C2)[C@H]1COc2ccccc2O1	783700207	QVWVDJYNJVLZFJ-CHHLVHLRSA-N	316.357	1.554	50	20	DDGD	
COC(C)(C)CC(=O)NNC(=O)COc1ccc(C)c(C)c1	784813749	WXNQEXODJAXEEH-UHFFFAOYSA-N	308.378	1.645	50	20	DDGD	
COc1cccc(NNC(=O)COc2cccc([N+](=O)[O-])c2)n1	780773076	LVDHXFBXZZTNNL-UHFFFAOYSA-N	318.289	1.521	50	20	DDGD	
Cc1ccc(C[C@H](CO)NS(=O)(=O)CCCCCl)cc1	786135929	SXMZHIGFZJSRMN-CQSZACIVSA-N	319.854	1.837	50	20	DDGD	
CCC1(CC)Oc2ccc(NC(=O)NNC(=O)CO)cc2O1	787485445	CNBPQCUGLCKIFT-UHFFFAOYSA-N	309.322	1.119	50	20	DDGD	
CN(C)C(=O)O[C@@H]1CCCN(S(=O)(=O)CCCCl)C1	882228620	QZWAUICNPSLLNY-SNVBAGLBSA-N	312.819	1.108	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=S)NC2(C)CC2)cc1	789162119	ODCVQUQMDVMLGP-UHFFFAOYSA-N	309.391	1.122	50	20	DDGD	
O=C(Cc1ccc2n[nH]cc2c1)NNC(=O)c1ccccc1O	794894355	GMHDSALPAIMYOG-UHFFFAOYSA-N	310.313	1.272	50	20	DDGD	
Cc1ccc2c(c1)C(=NNC(=O)N1CCN(C)CC1)CCC2	790175951	KFHQKLPHAMXCDE-UHFFFAOYSA-N	300.406	1.992	50	20	DDGD	
CC1(C)CCN(CCNC(=O)NNC(=O)CC(F)(F)F)C1	898597688	JCTVVCMUBIOPAA-UHFFFAOYSA-N	310.320	1.001	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCN1CCC[C@H]1C	897481739	IESGPLNXKDLYFX-GFCCVEGCSA-N	320.393	1.124	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H](C)CCC(=O)OC(C)C)n1	792302859	YPULQACPQUEWSM-SNVBAGLBSA-N	323.397	1.840	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNc1nccc(N(CC)CC)n1	795178036	XQFHDDWNBRUTDN-DGCLKSJQSA-N	309.414	1.827	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1nc(Br)ccc1F	792056245	FODOORQKKZQRRP-UHFFFAOYSA-N	318.146	1.790	50	20	DDGD	
CC[C@@H](C)CC[C@H](O)CC(=O)NNc1nc(C)cc(OC)n1	793598516	KKYYILAFHYFFFH-PWSUYJOCSA-N	310.398	1.814	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2c(=O)o1)NC1CCCC1	797716016	XRPLCJIZVOZCJT-UHFFFAOYSA-N	315.329	1.680	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)c1ccc(OC)c(OC)c1	792789087	GMVNFPNMFKVEEU-HZMBPMFUSA-N	324.377	1.526	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc2nc(S)oc2c1	799844529	DFMGLVZXZDPHMH-UHFFFAOYSA-N	317.330	1.672	50	20	DDGD	
C=C[C@@H](NNC(=O)[C@@H](C)Oc1cccc(C)c1C)C(=O)OC	799975655	MMCLEQXVKJEAJD-CHWSQXEVSA-N	306.362	1.419	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CCCC[C@H]1CC	793552770	BSBYDYKOVYXIGJ-YPMHNXCESA-N	311.426	1.655	50	20	DDGD	
CC(=NNC(=O)c1ccc2ccccc2n1)c1ccc(O)nn1	790136710	UNVFVNMYGHJONY-UHFFFAOYSA-N	307.313	1.884	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)[C@H]1COc2ccccc2O1	792789562	KXUORVXOKVKNIJ-GDLCADMTSA-N	322.361	1.035	50	20	DDGD	
CC(C)C(=O)NC1CCN(S(=O)(=O)CCCCl)CC1	37842687	MUDWVACSJDXCEX-UHFFFAOYSA-N	310.847	1.182	50	20	DDGD	
Cc1ccc(O)c2c1[C@H](C)CC2=NNC(=O)C(=O)NC(C)C	1322000327	KHLVHAVFJKQZHI-SNVBAGLBSA-N	303.362	1.553	50	20	DDGD	
CCN(CCNC(=O)NNC(=O)c1ccc(OC)cc1)C1CC1	1325584658	LRYDPQANVKCCDA-UHFFFAOYSA-N	320.393	1.124	50	20	DDGD	
O=C(c1csc(-c2cccs2)n1)N1CC[C@@H](B(O)O)C1	585070020	SMIXTTFVGXXDPM-MRVPVSSYSA-N	308.193	1.561	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H](C)Oc1ccc(F)c(F)c1	1320353098	XRAJWZFBRKAWOI-QMMMGPOBSA-N	317.361	1.636	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2ccccc2Cl)ncn1	1323846173	WHOJLABOJLGNLX-UHFFFAOYSA-N	321.724	1.605	50	20	DDGD	
O=C(CNC(=O)c1cc(Cl)ccn1)NNc1ncccc1F	1325140994	IBQCPOBXYPNJLG-UHFFFAOYSA-N	323.715	1.142	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H]1CCO[C@H]1c1ccncc1	1328655166	BGRFTOHNDZCKFT-NEPJUHHUSA-N	308.407	1.063	50	20	DDGD	
CN(C)CC1(O)CCN(C[C@@H](CBr)C2CC2)CC1	710581150	NDSNDCMASNNXRT-CYBMUJFWSA-N	319.287	1.796	50	20	DDGD	
CNS(=O)(=O)c1ccc(COC(=O)/C(C#N)=C/C2CC2)cc1	1327978018	JEOCFHIIRCSTTK-MDWZMJQESA-N	320.370	1.498	50	20	DDGD	
CCc1cc(C(=O)NC[C@]2(C)C[C@H]2Br)nn1C	1328632881	ALELDLADHSJRKS-PWSUYJOCSA-N	300.200	1.886	50	20	DDGD	
C[S@@](=O)Cc1cccc(C(=O)NNc2ncncc2F)c1	1327966063	VUWFFQPMHFPCOS-OAQYLSRUSA-N	308.338	1.251	50	20	DDGD	
COc1ccc2c(c1)C=C(C(=O)NNC(=S)NC(C)C)CO2	1322457243	CWYQHNUUBIHLTK-UHFFFAOYSA-N	321.402	1.375	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H](C)CS(C)(=O)=O)cc1Cl	1339820126	XWSCYAXGENTTKA-SECBINFHSA-N	304.799	1.772	50	20	DDGD	
O=C(NNc1cccnn1)c1cnc(O)c(Br)c1	1254590598	GNWMXRVRRNGWNZ-UHFFFAOYSA-N	310.111	1.097	50	20	DDGD	
CNc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)CC1CCCC1	1251432498	ZIDNWMHZVRUDRW-UHFFFAOYSA-N	320.349	1.978	50	20	DDGD	
C[C@]1(C(=O)N2CCC(F)(F)[C@@H](CO)C2)C[C@H]1Br	1334944800	MZQCKCWYFNGAPZ-MRTMQBJTSA-N	312.154	1.636	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccc(F)c(F)c1	1349432677	JXHIUVAABVFXDX-ATZCPNFKSA-N	312.316	1.641	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)OC[C@]1(C)C[C@@H]1Br	1345267514	XJRIJRNQYXLQGO-PTRXPTGYSA-N	304.184	1.714	50	20	DDGD	
CC[C@H](C)n1nccc1C(=O)NNC(=S)NCCSC	1349390663	BQSYIZHJZBARGC-VIFPVBQESA-N	315.468	1.326	50	20	DDGD	
O=C(NCCN1CCc2ccccc21)NNc1ncccc1F	1357998400	ATOXJJIJIRGYQY-UHFFFAOYSA-N	315.352	1.910	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2CC[C@H](C(=O)O)CC2)n1	1600512555	XFZNWZDPJATCNF-XYPYZODXSA-N	305.334	1.042	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)O)O1	1607787821	RQFWMDNSZIVHEZ-GGZOMVNGSA-N	312.753	1.970	50	20	DDGD	
O=C(O)Cc1cccc(C(=O)NNC(=O)NC2CCCCC2)c1	1602134718	DCWUGNBCJRMTOI-UHFFFAOYSA-N	319.361	1.590	50	20	DDGD	
Cc1ccc(NNC(=O)CN(C)C(=O)C2CC2)cc1C(=O)O	1600462991	UFNGRHYOOLYSFM-UHFFFAOYSA-N	305.334	1.005	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cc(O)nc(C3CC3)n2)c1	1602447567	GSTNYHQYCFPUSJ-UHFFFAOYSA-N	314.301	1.515	50	20	DDGD	
COC[C@@H](NC(=O)NNc1cccc(C(=O)O)c1C)C(C)C	1606807412	KYHBHEPFJMBGNV-CYBMUJFWSA-N	309.366	1.990	50	20	DDGD	
O=C(O)C[C@@H](CNC(=O)NNc1cc(Cl)ccn1)C1CC1	1608666201	GDMVDCXJOBWNKJ-VIFPVBQESA-N	312.757	1.862	50	20	DDGD	
COc1ccccc1CCC(=O)NNc1ccc(C(=O)O)cn1	1610366381	JQDDJJLYTYGOCO-UHFFFAOYSA-N	315.329	1.864	50	20	DDGD	
C[Si](C)(C)OCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CC1	1803460786	PNGHQVBKYSMMCS-BTTYYORXSA-N	324.497	1.886	50	20	DDGD	
COC[C@]1(C(=O)NNc2ccc(F)c(C(=O)O)c2)CCOC1	1610247361	AHBRAGGYTZJQPK-CQSZACIVSA-N	312.297	1.020	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCCNC2)c(C)cc1Cl	1579565710	UMUATHIQEIYQMB-LLVKDONJSA-N	309.797	1.717	50	20	DDGD	
C=C(CBr)CN1CCC2(CC1)CC(C(=O)O)=NO2	1588605482	IZYQGOGNCARNEY-UHFFFAOYSA-N	317.183	1.633	50	20	DDGD	
NCC[C@H]1CCN(S(=O)(=O)c2ccc(CCl)cc2)C1	1580288614	QWUIQILIHUKAOD-LBPRGKRZSA-N	302.827	1.785	50	20	DDGD	
N#Cc1ccc(Br)c(NNC(=O)[C@H]2C[C@H](N)C2)c1	1580063906	CACCGUWIBKDLOR-KYZUINATSA-N	309.167	1.501	50	20	DDGD	
CC(C)C[C@@H]1C[C@H]1NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1589658888	VEHVVQUOBNMJSV-GHMZBOCLSA-N	316.369	1.322	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)[C@H](F)Cl)C2)O1	1843364169	VKCFDNGJPOQNJQ-MXWKQRLJSA-N	318.776	1.292	50	20	DDGD	
O=C(NN=C1CC(CF)(CF)C1)c1cccc(-c2nn[nH]n2)c1	1593153948	ZVFJAJKDYKUCLB-UHFFFAOYSA-N	320.303	1.672	50	20	DDGD	
Cc1cc(F)ncc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	1591993459	LDNUTVJSAIBGGY-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2(CC(=O)O)CCC2)c1F	1593896602	CCUJNPXPLVVYNY-UHFFFAOYSA-N	324.308	1.700	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@@](C)(C#N)CC(=O)O	1593766239	IOGHGCRTFWYIPF-OAHLLOKOSA-N	319.317	1.291	50	20	DDGD	
CC1(O)CCC(NC(=O)NNc2ccc(CC(=O)O)cc2)CC1	1594064674	FQBPBBNUHSNCAB-UHFFFAOYSA-N	321.377	1.633	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H](C(=O)O)C(C)(C)C)ccc1C	1593882819	ZTOFMOVBJGPAGH-LBPRGKRZSA-N	322.361	1.972	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1cccc2[nH]nc(C(=O)O)c12	1776115614	FQWHUQJDKYHCMG-JXMROGBWSA-N	315.285	1.358	50	20	DDGD	
O=C(NNC(=O)c1cccnc1N1CCCC1)c1ccncc1	15628449	WFLAYRRIKHGRJJ-UHFFFAOYSA-N	311.345	1.152	50	20	DDGD	
CCc1c(C(=O)NNC(=O)OC)cnn1-c1ccc(C)cc1	158702397	PIRVPPGYBRTWRT-UHFFFAOYSA-N	302.334	1.744	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2cnc3ccccc3n2)cc1	163544786	VCTCUYBIWRHGAZ-UHFFFAOYSA-N	307.313	1.486	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21	151695909	SFQJKRKVRJOKGQ-MCIONIFRSA-N	303.362	1.588	50	20	DDGD	
O=C(NCCc1cc(F)cc(F)c1)NNC(=O)[C@@H]1CCCO1	155154080	BKUBTCXFKPDTOI-LBPRGKRZSA-N	313.304	1.017	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(C#N)cc1	155208313	VKSLBHAGXBOYBU-SNVBAGLBSA-N	304.350	1.915	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(C#N)cc2)c2c(=O)[nH]n(C)c2n1	155215386	BDFYPNQKXAGQHR-UHFFFAOYSA-N	322.328	1.199	50	20	DDGD	
COc1ccc(NNC(=O)CCn2cc(C)cn2)c([N+](=O)[O-])c1	155239943	ZGXUJJSRERJJJB-UHFFFAOYSA-N	319.321	1.642	50	20	DDGD	
COCC(=O)N[C@H](C(=O)NNc1ccc(F)cc1F)C(C)C	156250488	AHLYVOXSXUSYRB-ZDUSSCGKSA-N	315.320	1.195	50	20	DDGD	
COc1ccc(NNC(=O)c2cncnc2C)c([N+](=O)[O-])c1	155361890	RSQMAVLTXUPYED-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@H](O)c1ccccc1Cl	154256740	ZDMILOSOFRSMMZ-SNVBAGLBSA-N	300.742	1.929	50	20	DDGD	
Cc1ccc(S(N)(=O)=O)c(C(=O)NNc2cccc(F)c2)c1	159428760	IANQZYZUWHCEOA-UHFFFAOYSA-N	323.349	1.538	50	20	DDGD	
COc1ccc(NNC(=O)c2cccnc2OCC(F)F)nc1	159562300	VKOGAHXSKQAECZ-UHFFFAOYSA-N	324.287	1.886	50	20	DDGD	
CN1C[C@@H](N(C)C[C@@H](CBr)C2CC2)CCC1=O	859313906	KYEWSSGDHFUNQR-NEPJUHHUSA-N	303.244	1.960	50	20	DDGD	
CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NNC(=O)C(C)(C)C	104269293	DYKSOHKIEGUPST-CQSZACIVSA-N	317.389	1.153	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCc1cc(OC)cc(OC)c1	52539492	AHZHGAHEAXUOHM-UHFFFAOYSA-N	323.418	1.318	50	20	DDGD	
Cn1nnc2cc(C(=O)NNC(=O)CC3CCCC3)ccc21	104877754	GZBXPLPETJQGSU-UHFFFAOYSA-N	301.350	1.310	50	20	DDGD	
O=C(CCOC[C@@H]1CCCO1)NNc1ccc(Cl)nn1	118503511	DQGPBXKFPZYWRY-VIFPVBQESA-N	300.746	1.159	50	20	DDGD	
CCCNC(=O)CCC(=O)NNC(=O)[C@H](CC)c1ccccc1	110963620	MIDDUPQZHAQXBP-CQSZACIVSA-N	319.405	1.634	50	20	DDGD	
COC(C)(C)C[C@H](C)NC(=O)NNC(=O)c1ccc(C#N)cc1	176075914	IYHDRMOTPIPFON-NSHDSACASA-N	318.377	1.706	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)C1=NO[C@H](c2ccccc2)C1	68455111	VMFCLCHVLMBJIG-ZDUSSCGKSA-N	302.334	1.244	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O	175785668	LVKDFDZRLBPWCO-PBWFPOADSA-N	315.373	1.167	50	20	DDGD	
O=C(Cn1cc(C2CC2)nn1)Nc1ccc(S(=O)(=O)F)cc1	123001617	NIXVJBFWFQUQTQ-UHFFFAOYSA-N	324.337	1.452	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)c2cc([N+](=O)[O-])cnc2N)c1	185571873	HGDIHXBLCWFNQO-UHFFFAOYSA-N	301.306	1.946	50	20	DDGD	
CN(CCC1CCOCC1)CC(=O)NNC(=O)c1ccccc1	120330233	QJVPJXCCMDJWIP-UHFFFAOYSA-N	319.405	1.196	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H]1C[C@]12CCc1ccccc12	184366908	BZYDTQYUJBREHH-DYVFJYSZSA-N	310.357	1.832	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)Cn1nc(C)cc1C)c1ccccc1	78563900	QGXYVJDBXKSZEC-OAHLLOKOSA-N	316.361	1.035	50	20	DDGD	
CSC[C@H]1CCCN1CC(=O)NNC(=O)c1ccccc1	182484449	KCFLCSPOGCTYLE-CYBMUJFWSA-N	307.419	1.275	50	20	DDGD	
O=C(NNC(=O)c1cccn1Cc1ccccc1)c1ccc[nH]1	128480074	CKUKNKIENVZGIF-UHFFFAOYSA-N	308.341	1.939	50	20	DDGD	
O=C(CCc1ccoc1)NNC(=O)CSc1ccccc1O	125619176	WGYZUZOTOIUTGL-UHFFFAOYSA-N	320.370	1.858	50	20	DDGD	
CCN1CCO[C@H](C(=O)NNc2ccc(OC(F)F)cc2)C1	122718759	CQWLARKKNSWIIH-LBPRGKRZSA-N	315.320	1.452	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNc1nc(-c2ccncc2)no1	76452857	HKTZHFNUNFGQFD-JTQLQIEISA-N	303.322	1.556	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(-c3ncn(C)n3)cc2)n1	180718188	LJRGKTAKLAVPLL-UHFFFAOYSA-N	324.344	1.643	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)CC(F)(F)F)c1	122154903	JPDIVGDDVJGNPY-UHFFFAOYSA-N	304.268	1.782	50	20	DDGD	
C[C@@H]1OCCN(C(=O)NNC(=O)CCCc2ccccc2)[C@H]1C	120189149	MXTKGAOGZGKXFQ-KBPBESRZSA-N	319.405	1.859	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCOc2ccccc21)c1ccccc1O	76949073	QKHOSVBVXIMNSM-LBPRGKRZSA-N	312.325	1.720	50	20	DDGD	
CC(C)(CN)NS(=O)(=O)c1ccc(CCCCl)cc1	123719479	DHZZGYKKXQOKCZ-UHFFFAOYSA-N	304.843	1.874	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cc(F)cc(F)c2)nc1	124308315	IVCFJRWEQKNFGL-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2cc(F)ccc2F)n1	181522327	NWSIGBXGVOVFOR-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(OC(F)F)cc1	32257036	DCGLHFPLXGEGSS-JTQLQIEISA-N	300.261	1.228	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)Nc2cc(C#N)ccc2C)n1	185548581	AAMHKIGLOSDSBQ-UHFFFAOYSA-N	324.344	1.355	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)Nc1ccc(F)nc1	183241653	MAKDVIYADUUGOK-UHFFFAOYSA-N	318.308	1.712	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1nc(Cl)ccc1Cl	49167457	LONVHRVMHMECPW-UHFFFAOYSA-N	321.164	1.369	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=S)NCC(F)(F)F)c1	49519348	GQLQPCRQWBOFCR-UHFFFAOYSA-N	302.281	1.229	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](NC2CCOCC2)C(C)C)o1	84411082	ZSAPAWCOUYYHHW-AWEZNQCLSA-N	323.393	1.142	50	20	DDGD	
CCOc1cc(/C=C(\C#N)S(=O)(=O)NC2CC2)ccc1O	195309956	YEGBRXMEIKSITB-KPKJPENVSA-N	308.359	1.737	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCN(C)c2ccccc2)n1	45304381	IKIZXOORRZVYPH-UHFFFAOYSA-N	314.393	1.856	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCCCNC(C)=O)cc1	194580888	YLMWUQLJAAASJV-RVDMUPIBSA-N	315.373	1.635	50	20	DDGD	
CC(C)n1cc(C(=O)NNC(=O)NCCc2cccs2)cn1	190390659	DPWLUBOYRHONNN-UHFFFAOYSA-N	321.406	1.712	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)C(C)(C)O)[nH]n2)cc1C	191879591	HNERRPJAZGAJHI-UHFFFAOYSA-N	316.361	1.225	50	20	DDGD	
CC(C)(CC(=O)NNC(=O)C(=O)N1CCCC1)c1ccccc1	132178149	RGBRBTQJSUENAH-UHFFFAOYSA-N	317.389	1.124	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H](C)CCOc1ccccc1	81050814	PJXZCVQEVOLOSX-GFCCVEGCSA-N	307.419	1.773	50	20	DDGD	
CC1CCN(CCNC(=O)NNC(=O)OC(C)(C)C)CC1	46369953	JBMUBOVKFDJSOW-UHFFFAOYSA-N	300.403	1.457	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CSCc2ccncc2)o1	84373661	MFDRWXFFYGTQKK-UHFFFAOYSA-N	305.359	1.677	50	20	DDGD	
CC(C)CCCNC(=O)NNC(=O)COc1ccc(F)cc1	193432449	XFFZYAHOGRHHNL-UHFFFAOYSA-N	311.357	1.971	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNC(=O)COc1ccc(C)c(C)c1	98094459	BGIMUIADEYACQD-AWEZNQCLSA-N	308.378	1.645	50	20	DDGD	
Cn1c(NNC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)nc2ccccc2c1=O	247109379	ISBOJWCWPBIIEV-GMXVVIOVSA-N	312.373	1.813	50	20	DDGD	
N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)NNc1nc(-c2ccccc2)no1	269222455	LGYXGXDRRXJWPI-RVMXOQNASA-N	313.361	1.553	50	20	DDGD	
Cc1ccc(OCCCC(=O)NNC(=O)NC2CC2)cc1C	266969254	XWOWZDSOXWNJCE-UHFFFAOYSA-N	305.378	1.955	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NCc1ccc(C)cc1C	267134705	DHNBOZNQJDDAIK-CYBMUJFWSA-N	323.393	1.185	50	20	DDGD	
COc1ccc(OC)c(CCC(=O)NNC(=O)C2CCC2)c1	264835008	ZUOCXZCIIYFTAZ-UHFFFAOYSA-N	306.362	1.584	50	20	DDGD	
CNC(=O)NNC(=O)C1(c2cccc(C(F)(F)F)c2)CC1	263859004	CHVQNOKWGBPPRQ-UHFFFAOYSA-N	301.268	1.697	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1	365696290	GLITXXZHKNZFTA-OUJBWJOFSA-N	306.753	1.865	50	20	DDGD	
N#CC1(C(=O)NNc2cccc(F)c2[N+](=O)[O-])CCOCC1	279233392	GOPSWVGSZYBULL-UHFFFAOYSA-N	308.269	1.497	50	20	DDGD	
CCNC(=O)c1ccc(NC(=O)NNC(=O)CC(C)C)cc1	273461507	GASMKLLBRYJCAJ-UHFFFAOYSA-N	306.366	1.635	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCSC[C@H](C)C2)n1	279589275	CIZZMDWBRURHCJ-SNVBAGLBSA-N	308.407	1.429	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNC(=O)C(C)(C)c1ccccc1	270571138	NENGSQJCRQRLDP-UHFFFAOYSA-N	320.389	1.701	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2ccccc2)C[C@H](C2CC2)O1	279592725	HUXMZEITHQROTG-BXUZGUMPSA-N	303.362	1.540	50	20	DDGD	
C[C@H]1C[C@@H](CNC(=O)NNC(=O)c2ccc(C#N)cc2)CCO1	271571206	XDZNCWFTDQQSGO-AAEUAGOBSA-N	316.361	1.317	50	20	DDGD	
COC1(C(=O)NNC(=O)COc2cc(C)cc(C)c2)CCC1	272785221	BQEGCVBKLPPPAF-UHFFFAOYSA-N	306.362	1.399	50	20	DDGD	
O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NN=c1cc[nH]cc1	367889958	CWUKNYHLGKCPIT-QJRTVWDNSA-N	301.390	1.668	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)CCc1nc(N(C)C)no1	275432810	CUUZRHUPDKLOMU-UHFFFAOYSA-N	307.329	1.659	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)[C@H]1C[C@]12CCOC2	364849671	GASDYBJVDGMNIK-HQJQHLMTSA-N	302.256	1.365	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](CC(=O)NNc2nccn(C)c2=O)CCO1	272820827	FFBIJDIHKQVKDX-RYUDHWBXSA-N	308.382	1.065	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NC[C@@H]1CCS(=O)(=O)C1	273122060	OZRKIUIXEYNQHP-ALFJJAPYSA-N	322.361	1.284	50	20	DDGD	
CSCCNC(=S)NNC(=O)C(=O)c1ccc(C)cc1	271423696	NQKPISINYAITLM-UHFFFAOYSA-N	311.432	1.036	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1cccc(SC)c1C	276149609	JRFPXECMMCMSGU-UHFFFAOYSA-N	324.406	1.348	50	20	DDGD	
CCOc1ccc(OCC(=O)NNc2nccnc2OC)cc1	274093064	NMWRVWKCLSTYCM-UHFFFAOYSA-N	318.333	1.406	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(C)n(C)c2C)c(O)c1	272691041	XBIAXKYWYLYHCT-UHFFFAOYSA-N	301.346	1.731	50	20	DDGD	
CCOc1cccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)c1	274267973	ZAPCLDSEIMOJQU-UHFFFAOYSA-N	323.349	1.580	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1[C@H]2CCNC[C@H]1CC2	272859670	XEUGUWMODIHDNG-CHWSQXEVSA-N	310.829	1.705	50	20	DDGD	
CCO[C@H]1C[C@H](NS(=O)(=O)CBr)C12CCC2	373295869	ISOKLBALIGUKFW-IUCAKERBSA-N	312.229	1.606	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@](O)(CC)c1cccc(Cl)c1	282850578	WICZAGYAHNSPIN-AWEZNQCLSA-N	313.785	1.630	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(CC(=O)NNc2ncccc2F)C1	285981839	MZEWCMYQPMFTOY-UHFFFAOYSA-N	324.356	1.921	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)COCc1ccccc1	280110722	LHDPZSVQXHIBFA-JSGCOSHPSA-N	318.373	1.356	50	20	DDGD	
CCOC(=O)CC(C)(C)CC(=O)NNc1cc(C)nc(C)n1	288126493	UAIYRJIPKZNOIT-UHFFFAOYSA-N	308.382	1.906	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNc1nc(-c2ccncc2)no1	376326078	VZLAYIWPNQEEFD-UHFFFAOYSA-N	313.321	1.157	50	20	DDGD	
COC(=O)Cc1occ(C)c1C(=O)NNc1nc(C)cc(C)n1	289315891	BRRBOPTUXUYTDF-UHFFFAOYSA-N	318.333	1.467	50	20	DDGD	
Cc1nc(Cl)ccc1S(=O)(=O)NNC(=O)C(C)(C)C	288143427	BOKIZNGDCZGGLL-UHFFFAOYSA-N	305.787	1.399	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cccc(Nc2ncccn2)c1	804124013	URPONTFOJQZYRO-UHFFFAOYSA-N	301.306	1.563	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncc(F)cc1F)[C@H]1CCCCO1	297225741	HUDZPUBGKZWFSP-LDYMZIIASA-N	300.309	1.944	50	20	DDGD	
CC(=O)NCc1ccc(-c2csc(NNC(N)=O)n2)s1	800721219	OSEMQXVHKXEXGG-UHFFFAOYSA-N	311.392	1.503	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCC2)Nc1cc(F)cc(F)c1	802004020	BYRJAXZRWLBNDU-UHFFFAOYSA-N	321.287	1.643	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@]1(C)Cc2ccccc2C(=O)O1	298140538	HYCXLOQUIPAGCF-INIZCTEOSA-N	320.345	1.714	50	20	DDGD	
COc1ccnc(NNC(=O)NCCCc2cccc(C)n2)n1	807430568	VQVXEPGPYNHCSE-UHFFFAOYSA-N	316.365	1.448	50	20	DDGD	
C#Cc1cncc(C(=O)NNc2nc(-c3cccnc3)no2)c1	806774805	IIYZKTCWKXNYFL-UHFFFAOYSA-N	306.285	1.265	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1ccc(Cl)cc1F	292943258	ZSAQEWVPAJBRNU-JTQLQIEISA-N	301.705	1.811	50	20	DDGD	
C[C@]1(F)CCCN(C(=O)NNC(=O)COCc2ccccc2)C1	296460360	POOMYEZEJKVJHL-INIZCTEOSA-N	323.368	1.768	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H](C)OCc2ccc(F)cc2)n1	294401261	OTAIFTQYOAGTLI-SNVBAGLBSA-N	320.324	1.673	50	20	DDGD	
COc1cccc(NNC(=O)[C@H](C)Oc2ccc(C=O)cc2)n1	803081551	RSEKPQYJWKDGIK-NSHDSACASA-N	315.329	1.813	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC([C@@H]2NC(=O)C2(C)C)CC1	294673863	JGDJDLLTNUKBSH-XSNHNAGMSA-N	305.378	1.194	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)CC2CCC(C)(C)CC2)CC1	807380192	CTGGXFVKOOKQLI-UHFFFAOYSA-N	310.442	1.581	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	296633308	RGYQUUACBOSYSR-GWCFXTLKSA-N	307.350	1.093	50	20	DDGD	
COc1ccc(CCCNC(=O)NNc2ncncc2F)cc1	293080976	UXAVQLSUGRHTMZ-UHFFFAOYSA-N	319.340	1.883	50	20	DDGD	
CC[C@@H](CNC(=O)NNc1ccc2c(O)nccc2c1)OC	291495932	PFIPXKDQENKTQC-LBPRGKRZSA-N	304.350	1.992	50	20	DDGD	
C[C@H](CC(=O)NNc1ccncn1)NC(=O)C1CCCCC1	295614943	ZEPCIPIIDXIUBR-LLVKDONJSA-N	305.382	1.395	50	20	DDGD	
Cc1ccc(F)c(OCC(=O)NNC(=O)[C@H]2CCCCO2)c1	295561029	MSVHNBNVTSZYII-GFCCVEGCSA-N	310.325	1.229	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc(C(C)C)on1	294186266	DBWPBQDUKHQBTO-UHFFFAOYSA-N	313.354	1.348	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccc(C(=O)NC2CC2)cc1	817078331	ZNRLVLKNKQXCQO-UHFFFAOYSA-N	315.308	1.265	50	20	DDGD	
O=C(CCc1cncnc1)NNc1nc(-c2ccccc2)no1	815547062	FXTQYMCUVQMGMV-UHFFFAOYSA-N	310.317	1.603	50	20	DDGD	
Cn1c(=O)c(CNC(=O)NNc2ccccn2)cc2ccccc21	813838175	CSXLKIVARIMCTG-UHFFFAOYSA-N	323.356	1.760	50	20	DDGD	
N#Cc1ccncc1C(=O)NNc1ccc(C(F)(F)F)nn1	813498795	PVYFOFHIPZSODX-UHFFFAOYSA-N	308.223	1.519	50	20	DDGD	
Cc1nc(SCC(=O)NNC(=O)c2ccc(F)cc2)[nH]c1C	814780306	NKZJLPUBPGSIKS-UHFFFAOYSA-N	322.365	1.719	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2cc(CO)ccc2O)c(O)c1	814810976	KGNFWRPMMRZLOV-UHFFFAOYSA-N	300.314	1.662	50	20	DDGD	
Cn1c(N)nc(Cl)c1C=NNC(=O)c1cccc([N+](=O)[O-])c1	814684565	YYCHVVHOBLFQRE-UHFFFAOYSA-N	322.712	1.328	50	20	DDGD	
Cc1ccn(-c2ccc(C(=O)NNc3ncncc3F)cc2)n1	817083134	YIWCGAALADFDDW-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
O=C(NCc1ccc(F)cc1)C(=O)NNc1cccc(Cl)n1	817009284	CNGNTNOICJACKC-UHFFFAOYSA-N	322.727	1.634	50	20	DDGD	
Cc1ccsc1CCCC(=O)NNC(=O)c1ccnnc1	817693919	WVZBMAOUBGBASA-UHFFFAOYSA-N	304.375	1.630	50	20	DDGD	
COC(=O)[C@H]1C[C@H]2CC(=NNC(=O)Cc3csc(C)n3)[C@H]1C2	817323696	HOTIOBKNKWRGLQ-DLOVCJGASA-N	321.402	1.685	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	727296574	UYGVJNUYFVOEKF-MXYNVHDSSA-N	320.389	1.159	50	20	DDGD	
Cc1ccnc(NNC(=O)Nc2cccc(-c3nn[nH]n3)c2)c1	822374325	QZACDRJWZFNYIB-UHFFFAOYSA-N	310.321	1.719	50	20	DDGD	
CN(NC(=O)c1cc(C(F)(F)F)nn1C)C(=O)OC(C)(C)C	496312785	WNSKPBVDJMEITF-UHFFFAOYSA-N	322.287	1.951	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2cccc(C#N)c2)CCS1	728953937	MDCFOTLHZIQLQP-SNVBAGLBSA-N	304.375	1.350	50	20	DDGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCN2C(=O)OC[C@@H]2C1	493757290	RDGAEGXXGHMRKE-XJHOQXEQSA-N	314.301	1.596	50	20	DDGD	
C[C@H](CO)N(CC1CCC1)C(=O)/C(C#N)=C/c1cnn(C)c1	491173636	DKWVYECTLGGWFQ-BYQGBLLGSA-N	302.378	1.337	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](CC(=O)N(C)C)c1ccccc1	491080276	CSXOZHDECWNSEF-OKFGHLOFSA-N	315.373	1.766	50	20	DDGD	
Cc1nn(C)cc1CC(=O)NNc1ccc(Br)nc1	825818757	HKNKJJGWBYDZII-UHFFFAOYSA-N	324.182	1.572	50	20	DDGD	
COc1cccc(NNC(=O)/C=C/c2ccc3c(c2)OCO3)n1	492413358	XRKUIKSJCMJHLJ-SOFGYWHQSA-N	313.313	1.975	50	20	DDGD	
Cc1cc(NNC(=O)C[C@@H](c2ccccc2)N(C)C)nc(N)n1	828372132	RFGNJOWVYSXVKY-ZDUSSCGKSA-N	314.393	1.503	50	20	DDGD	
CC(=NNC(=O)c1ccnnc1)[C@H](C)NC(=O)OC(C)(C)C	495994501	UKNWEYRHBKHHTR-VIFPVBQESA-N	307.354	1.496	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc(OCC)cc1C	495408410	RQWZSQAONRBPIV-UHFFFAOYSA-N	309.322	1.110	50	20	DDGD	
C[C@H](CCc1ccccc1)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	825525193	BLRKFDIVKCTDME-UMVBOHGHSA-N	319.405	1.763	50	20	DDGD	
C/C=C/C=C\C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	492824700	QQACEHBUYIADBR-ICWBMWKASA-N	323.374	1.375	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC1(CO)C2CC3CC(C2)CC1C3	490971242	IPAARAVYRVYUJB-LCYFTJDESA-N	304.390	1.734	50	20	DDGD	
CCN(CCO)NC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1	823873633	FKYQVHQGMICQCV-UWVGGRQHSA-N	302.296	1.553	50	20	DDGD	
N#C/C(=C\c1ccc(-c2nn[nH]n2)s1)C(=O)N1CCCC1	822796818	ZOTBFSSREFTLMC-VQHVLOKHSA-N	300.347	1.458	50	20	DDGD	
CC(C)(C)OC(=O)N(CCC(=O)NNc1cccnn1)C1CC1	496492329	AXYCNRJLRRIIRP-UHFFFAOYSA-N	321.381	1.709	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1ccc(F)cc1F	825808475	YJJWGTCNZHPENK-LDYMZIIASA-N	313.304	1.220	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C	823950677	FHDNRGDSVINBTF-VXGBXAGGSA-N	315.414	1.120	50	20	DDGD	
COc1cccc(S(=O)(=O)NCCSSC)c1OC	907179347	WEUBPZQTLNZLHO-UHFFFAOYSA-N	323.461	1.993	50	20	DDGD	
CCN(CC)Cc1ccccc1NCc1cccc(B(O)O)c1	585012669	BQMVMUIWURQXHL-UHFFFAOYSA-N	312.222	1.820	50	20	DDGD	
CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](B(O)O)C2)c1	585072093	HZICOQHEFUCWLG-QMMMGPOBSA-N	310.140	1.006	50	20	DDGD	
CO[C@H](C)CNC(=O)NNC(=O)c1ccc(Cl)cc1Cl	821722497	KUBMBUOKJAMQAQ-SSDOTTSWSA-N	320.176	1.972	50	20	DDGD	
COc1ccc(-c2n[nH]cc2C(=O)NN(C)[C@H](C)CO)cc1	823983544	WNFNEQQHSIGNKN-SNVBAGLBSA-N	304.350	1.043	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(C)CCCN(C)Cc1ccncc1	491087307	WUFDJTVWAKPJKW-PEZBUJJGSA-N	316.405	1.806	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(OCCOC)cc1C	494658213	FVMZCPGHWYIJPN-UHFFFAOYSA-N	311.338	1.803	50	20	DDGD	
COc1cccc(-c2csc(C=NNC(=O)CN(C)C)n2)c1	901183445	SIWHIUCAZWOUTD-UHFFFAOYSA-N	318.402	1.830	50	20	DDGD	
CC[C@]1(CNS(=O)(=O)CCl)OCCc2ccccc21	831576705	JATVSVDZHIDTBK-CYBMUJFWSA-N	303.811	1.980	50	20	DDGD	
Cc1c(NC(=O)c2ccc(B(O)O)cc2)cnn1CCC(C)C	584965694	UTCDVDMJJPCGBD-UHFFFAOYSA-N	315.182	1.170	50	20	DDGD	
CCCC1(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)CC1	495311900	JQZMQVWAPBDHDY-UHFFFAOYSA-N	313.398	1.629	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1cccc(OCC(=O)O)c1	736402752	ZTQLYKTWXYFNAS-UHFFFAOYSA-N	323.349	1.027	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCN1C1CCCC1)[C@@H]1CCCCO1	833243377	RFFXTAQMRKKKIE-GJZGRUSLSA-N	323.437	1.500	50	20	DDGD	
Cc1nc(C(C)C)ncc1C(=O)NNC(=O)NCC(F)(F)F	907967907	QJBMWRDEBOOFME-UHFFFAOYSA-N	319.287	1.415	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)c2ccc(B(O)O)cc2)C1(CC)CC	584959350	AVFQDLKIGQFJMA-LSDHHAIUSA-N	319.210	1.080	50	20	DDGD	
C[C@@H]1c2ccsc2CCN1C(=O)c1ccc(B(O)O)c(F)c1	584925721	MHFFGNIQQBLFRU-SECBINFHSA-N	319.166	1.327	50	20	DDGD	
CC1(C)C[C@@H](CNC(=O)NNc2cncc(Cl)n2)CCO1	838733052	BGJMIUDETJRLAT-VIFPVBQESA-N	313.789	1.961	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)OCCN2CCc3ccccc32)cn1	837971060	LOVNFQOPWGVLNX-MHWRWJLKSA-N	322.368	1.933	50	20	DDGD	
C[C@H]1CCN(Cc2ccccc2)CC1=NNC(=O)NCC(=O)O	833616119	QDVQHHAWWZZFCV-LBPRGKRZSA-N	318.377	1.268	50	20	DDGD	
CC(C)[C@@H]1CC[C@@H](C)CCN1C(=O)c1ccc(B(O)O)cc1	584948625	MUDQYXCWSIXIND-CJNGLKHVSA-N	303.211	1.653	50	20	DDGD	
O=C(NC1CC(C2CCCCC2)C1)c1cccc(B(O)O)c1	585004306	CMEGNXZLVSMNGR-UHFFFAOYSA-N	301.195	1.455	50	20	DDGD	
C[C@H](Sc1nncn1C)C(=O)NNc1ccccc1C(=O)O	833545492	SQHIPCGBIZXZEA-QMMMGPOBSA-N	321.362	1.137	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1ccc(C(=O)OC)cc1F	901421882	KNFJCWFDUXXXLR-MDWZMJQESA-N	320.320	1.672	50	20	DDGD	
CCn1cc(C=NNC(=O)C(=O)Nc2ccc(C)cc2)c(C)n1	901158248	GMRMWIHRCYXICX-UHFFFAOYSA-N	313.361	1.609	50	20	DDGD	
C[C@]1(C(=O)N2CCC[C@H](S(C)(=O)=O)C2)C[C@H]1Br	907396712	SYBJYLWUGUIWMF-NGZCFLSTSA-N	324.240	1.196	50	20	DDGD	
CC(=O)N[C@@H](CC(=O)NN)c1ccc(Br)cc1	731450303	ADMWSACGTKFDLP-JTQLQIEISA-N	300.156	1.006	50	20	DDGD	
C[C@@]1(C(=O)NCCN2CCSCC2)C[C@@H]1Br	906659642	FUDUEMJAXFXRMI-GXSJLCMTSA-N	307.257	1.325	50	20	DDGD	
CCCOc1ccc(CNCc2ccccc2B(O)O)c(C)c1	585038123	TVJRBILEOKSQLI-UHFFFAOYSA-N	313.206	1.753	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCC1(C(=O)O)CCCC1	832976975	LBIBZJCEBZHIOA-UHFFFAOYSA-N	319.361	1.584	50	20	DDGD	
C[C@@H]1CC=C(C(=O)NNC(=O)COc2ccc(C#N)cc2)CC1	836206719	AOUKGRLJBFWXNC-GFCCVEGCSA-N	313.357	1.831	50	20	DDGD	
CCn1ccnc1C(C)=NNC(=O)Cn1cnc2ccccc21	834926002	UJEBNBFPCYPURU-UHFFFAOYSA-N	310.361	1.793	50	20	DDGD	
C[C@]1(N)CCCC[C@@H]1C(=O)NNc1nc(-c2cccnc2)no1	831890357	GRBCXTQGXWSWMA-ABAIWWIYSA-N	316.365	1.482	50	20	DDGD	
O=C(COCc1ccccc1)NN=Cc1ccc([N+](=O)[O-])o1	737434503	QSBPOWBDANVJEZ-UHFFFAOYSA-N	303.274	1.855	50	20	DDGD	
CC1(C)CCC(=NNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1	735971917	CFSQYZWWYMEWSN-NSHDSACASA-N	301.412	1.429	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1cc(C2CC2)on1	732110779	NWCJQFXQQMMXFK-UHFFFAOYSA-N	312.289	1.754	50	20	DDGD	
Cc1ccc([C@H]2CCCN2C(=O)c2ccc(B(O)O)cc2)cc1	584927112	LZIKBNUAFDQNGI-QGZVFWFLSA-N	309.174	1.652	50	20	DDGD	
C[C@H]1CCC[C@@H](C)[C@@H]1N(C)C(=O)c1cc(B(O)O)ccc1F	584942142	PMOHCJVGCSEFTM-HBYGRHMLSA-N	307.174	1.402	50	20	DDGD	
OB(O)c1cccc(CNCCCOCCc2ccccc2)c1	585017320	UKLLBVJZQOVFRH-UHFFFAOYSA-N	313.206	1.105	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=Cc1c(C)n[nH]c1C	915943366	AXDBAYPPIJQCMR-UHFFFAOYSA-N	316.361	1.954	50	20	DDGD	
Cc1nc(O)c(C(=O)NN(C)C[C@@H](C)O)cc1-c1ccccc1	910162375	FTHGASVKDPBMPA-LLVKDONJSA-N	315.373	1.720	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2ccnc(C(=O)O)c2)c1	833729633	RQSGPGFQYXVOKY-UHFFFAOYSA-N	305.265	1.684	50	20	DDGD	
COC1(CNC(=O)NNC(=O)[C@H]2CCCCO2)CCCCC1	836429062	IYZQWMHHCVFYSM-GFCCVEGCSA-N	313.398	1.235	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)C2CCCCC2)c1	744473140	AIXWWRQCZHXLBS-UHFFFAOYSA-N	318.373	1.880	50	20	DDGD	
O=C(CSc1ccc(Cl)nn1)NNC(=O)c1ccccc1	747805493	IAAQGGKFVSIYSN-UHFFFAOYSA-N	322.777	1.683	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=C2C(=O)Nc3ccccc32)c1	916280899	MEMYTCIEVPYJQX-UHFFFAOYSA-N	308.341	1.839	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)COc2ccccc2O)sn1	749234898	YQCZCYCJXDGYBP-UHFFFAOYSA-N	322.346	1.389	50	20	DDGD	
CC(C)C[C@@H](C(=O)NNC(=O)C(=O)NC(C)C)c1ccccc1	740815257	MPDDBCDWJDCHFI-CQSZACIVSA-N	319.405	1.488	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)Cn1cncn1	748748761	SHNVPBWWKIHUKB-UHFFFAOYSA-N	310.155	1.492	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1(c2cccc(F)c2)CCC1	843645450	RDRJJYJNXSRDLE-SMDDNHRTSA-N	320.364	1.820	50	20	DDGD	
Cc1ccc(-n2ncc(C(=O)NNC(=O)N(C)C)c2C)cc1	746006215	XLVJLAYTCGEPQQ-UHFFFAOYSA-N	301.350	1.405	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2cc(C)nn2C)cc1	841606398	DOVUMKJBGRGUMX-UHFFFAOYSA-N	302.334	1.266	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(-n2ccnc2S)cc1	746001716	SGDKXTICIQOODS-UHFFFAOYSA-N	305.363	1.077	50	20	DDGD	
CN(C)C(=O)Nc1cccc(C(=O)NNc2cccnn2)c1	740088139	WLXHEGOANQWXSG-UHFFFAOYSA-N	300.322	1.327	50	20	DDGD	
Cn1c(NNC(=O)CC[C@@]2(C)CCC(=O)N2)nc2ccccc21	848379034	AUZLGUYJBWRFCS-MRXNPFEDSA-N	315.377	1.465	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cc(N2CCOC2=O)ccc1F	741670345	WJQDBLJCSLLZKC-UHFFFAOYSA-N	323.324	1.589	50	20	DDGD	
Cc1cc(C(=O)NN(C)C[C@H](C)O)c2c(C(C)C)noc2n1	910169692	VEHVKEKROASLJZ-JTQLQIEISA-N	306.366	1.612	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)C1(n2cnnn2)CCCCC1	846210702	BZFKWGPGCNWZGN-UHFFFAOYSA-N	321.772	1.524	50	20	DDGD	
Cc1ccc([C@@](O)(CC(=O)NN(C)C[C@@H](C)O)C(F)(F)F)o1	910160775	OTILTSQYLOHFNX-PELKAZGASA-N	324.299	1.072	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=C(C)COCCOC	741161460	WGJDEZYSLURHNG-UHFFFAOYSA-N	308.378	1.783	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c2ccccc21	843971485	BMBBWJCEOPSDIA-NEPJUHHUSA-N	315.373	1.847	50	20	DDGD	
Cc1cnn(C)c1C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	840444999	CYAULIGMTBTCDF-UHFFFAOYSA-N	316.365	1.261	50	20	DDGD	
CC(=NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)c1ccc(C(=O)O)cc1	844613609	BGVRBQJIVNXZAX-HZSPNIEDSA-N	302.330	1.793	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1OCC(=O)NNc1ccnc(N(C)C)n1	740112831	QQVRPEQDUYDTNW-NEPJUHHUSA-N	307.398	1.581	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc(OC)c(OC)c1	740762215	GGHRADBZZMQKGU-UHFFFAOYSA-N	321.377	1.459	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H](C)[C@@](C)(OC)C2CC2)n1	840422515	CLGRSTYWKWJWET-MEBBXXQBSA-N	323.397	1.623	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1cc(Cl)cs1	843650251	AFEDHFCBLDFSSE-KWQFWETISA-N	316.810	1.907	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cccc(OC(F)F)c1)[C@@H](C)O	842232934	WQYGQZMICIKJGE-LDYMZIIASA-N	316.304	1.456	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CCC[C@@H](CO)[C@@H]1C	841574768	GLEBQDCFCANZQH-STQMWFEESA-N	305.378	1.442	50	20	DDGD	
CC[C@@H](C(=O)Nc1cccc(NC(=O)NN(C)C)c1)[C@@H](C)O	844135917	ALECLKIRRILAHJ-ZWNOBZJWSA-N	308.382	1.630	50	20	DDGD	
CCC(=O)N1CCC[C@@H](C(=O)NNc2ccc(Cl)nc2)C1	743816194	NEQGLGDSXPQKNS-SNVBAGLBSA-N	310.785	1.827	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)N[C@@H]1C[C@H]1c1ccco1	840487431	YVSRHDKAHIYHFB-DGCLKSJQSA-N	317.320	1.848	50	20	DDGD	
COC(=O)C12CC(C(=O)NNc3ncnc4ccsc34)(C1)C2	843828182	PZUFHLZOOBZNFI-UHFFFAOYSA-N	318.358	1.478	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)c(F)c1)[C@H]1CCS(=O)(=O)C1	921258639	LOCFTTNGOOCDNT-VIFPVBQESA-N	318.757	1.364	50	20	DDGD	
CCOCCCC(=O)NNC(=S)NCCc1cccs1	753016866	RGDOOFWYBPKXJI-UHFFFAOYSA-N	315.464	1.603	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C=NNC(=O)[C@@H]1CCCCO1	853352938	MBURDNWNAFRGQO-MELADBBJSA-N	320.393	1.559	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)COc1ccccc1F)C1CC1	851916186	ZPBLTVZJDDRNIV-LBPRGKRZSA-N	309.341	1.724	50	20	DDGD	
CS[C@H](C)CC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855832142	VITDGCHURWIUPY-SNVBAGLBSA-N	317.455	1.218	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C1(CC)COC1	755035910	JRJGPFGVISIICF-UHFFFAOYSA-N	322.361	1.038	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)[C@H]1CCCN(C(=O)C2CC2)C1	856096032	ZOESRISRDACBBP-NSHDSACASA-N	322.796	1.827	50	20	DDGD	
N#Cc1cccc(OCC(=O)NN=c2cc[nH]cc2Cl)c1	757419091	YFDNFOKVJOTYLB-UHFFFAOYSA-N	302.721	1.551	50	20	DDGD	
Cc1ccc([C@H](C)[C@H](O)C(=O)NNC(=O)C2CCOCC2)cc1	923063229	WUPLYIOFACKJDN-WFASDCNBSA-N	320.389	1.033	50	20	DDGD	
CN1CC[C@H](C(=O)NNC(=O)NCC2CC2)c2ccccc21	750723011	BJVSGYLSFYVQCD-ZDUSSCGKSA-N	302.378	1.351	50	20	DDGD	
COC(=O)[C@@H]1COCCN1C[C@@H](CBr)C1CC1	859197550	JRKHSUZWZBBATR-MNOVXSKESA-N	306.200	1.281	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2cccc(C(=O)O)c2)CN1C1CC1	853425415	DWPCYTCVJWQLIR-JTQLQIEISA-N	301.346	1.727	50	20	DDGD	
CCC(=CC(=O)NNC(=O)CCCNC(=O)C(C)(C)C)CC	855832270	ZKEGSSGESKTPST-UHFFFAOYSA-N	311.426	1.823	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2cccnn2)cc1C	757661928	VPTLXLKRZBVYIY-UHFFFAOYSA-N	315.333	1.325	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H](C)[C@H]1OCCc2sccc21	854920682	HBFKKVRHSHYGQD-GZMMTYOYSA-N	313.448	1.465	50	20	DDGD	
Cc1ncc(NC(=O)NNC(=O)c2ccc(Cl)cc2O)cn1	756370102	GQQJLXLBKIKYKG-UHFFFAOYSA-N	321.724	1.611	50	20	DDGD	
CCNC(=O)c1ccc(NC(=O)NNC(=O)CC2CC2)c(C)c1	756101218	VHZQMQUIWYUJBE-UHFFFAOYSA-N	318.377	1.698	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2ccccc2Br)co1	759974456	AIFVGZWPJQWEFX-UHFFFAOYSA-N	324.134	1.898	50	20	DDGD	
CN(NC(=O)c1nccnc1Sc1ccccc1)C(N)=O	752717068	GUZUJHRWEONLSK-UHFFFAOYSA-N	303.347	1.283	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CCC[C@H](CO)[C@H]2C)c1	858707072	IUEXOSSLAKCKLJ-GHMZBOCLSA-N	311.407	1.504	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)C1CC1)c1ccc(Cl)s1	754334256	PONGWQBJMGNWCA-SECBINFHSA-N	315.826	2.000	50	20	DDGD	
C[C@@]1(CNC(=O)NCCOC(F)(F)F)C[C@@H]1Br	856852072	MHILIQXZFLRVKY-XPUUQOCRSA-N	319.121	1.996	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)C(C)(C)C)[C@]1(C)CCCO1	853408345	OEFDTWXJGYDHQR-INIZCTEOSA-N	311.426	1.990	50	20	DDGD	
Cn1nncc1NNC(=O)Cc1ccccc1OC1CCCC1	857270386	AKHDBYJHFLULQB-UHFFFAOYSA-N	315.377	1.822	50	20	DDGD	
CCc1cccc(C(=O)NNC(=S)NCC2CCC2)c1O	855089404	PUGYNYKYYBXLRX-UHFFFAOYSA-N	307.419	1.864	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc2nc(C3CC3)oc2c1	757581133	XRKJNWOYRXVTDK-UHFFFAOYSA-N	304.306	1.504	50	20	DDGD	
CC1=NO[C@H](CNC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)C1	854789531	CGOQBTFTXNAZIV-XNISGLLXSA-N	311.345	1.393	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1csc(C)n1	853388144	DAAQRDXRPBRLBW-YPMHNXCESA-N	308.407	1.155	50	20	DDGD	
COCCN(C)NC(=O)[C@H](C(C)C)N1Cc2ccccc2C1=O	854409700	KIIQYIPPZAQAKT-HNNXBMFYSA-N	319.405	1.276	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2nnc3n2CCOC3)cc1F	854019320	VAVMQAKNPCASFQ-UHFFFAOYSA-N	320.328	1.082	50	20	DDGD	
CCc1noc(COCC(=O)NNc2c(F)cccc2F)n1	935021077	YFQNBCXAXBPIOD-UHFFFAOYSA-N	312.276	1.570	50	20	DDGD	
C[C@@]1(CNC(=O)NCCCn2cccn2)C[C@@H]1Br	856824692	MHNBVVKSVUQJQE-JQWIXIFHSA-N	315.215	1.746	50	20	DDGD	
CC(=O)NNC(=O)N[C@@](C)(c1ccc(F)cc1)C(F)(F)F	933547830	QIHQTUBYJTTWCB-NSHDSACASA-N	307.247	1.954	50	20	DDGD	
CC(CCc1n[nH]c2ccccc12)=NNC(=O)[C@H]1CCC(=O)N1	863147884	OGKFAFQBPBBTMY-CQSZACIVSA-N	313.361	1.266	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)COC(F)(F)F	931780321	BLXKFZWKZRRLMR-UHFFFAOYSA-N	304.268	1.693	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)C(=O)NNCC(F)(F)C(F)(F)F	863102255	XZWZAUFOMJFCRK-ZETCQYMHSA-N	314.258	1.417	50	20	DDGD	
CCO[C@@H]1COCC[C@@H]1NC(=O)NNc1ccc(Cl)nc1	760133549	JSQNHQPPNYSBTF-WDEREUQCSA-N	314.773	1.555	50	20	DDGD	
CSc1ccncc1NC(=O)C(=O)NNC(=O)CC(C)(C)C	764198758	NKGJVQNXOGZEAH-UHFFFAOYSA-N	324.406	1.326	50	20	DDGD	
CCCCc1ccc(CC(=O)NNC(=O)c2cn[nH]c2)cc1	862473429	QOTVXANXRPZLND-UHFFFAOYSA-N	300.362	1.756	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)CSc1ccccc1O	764042619	KXJCHHKPYHOSHO-UHFFFAOYSA-N	321.358	1.496	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)c1ccc2nnc(O)n2c1	764467927	VKTVCHAULWELPO-UHFFFAOYSA-N	304.697	1.240	50	20	DDGD	
CCN(C)C(=O)COC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	869462723	XJSGDSWNDKYLCT-OPQQBVKSSA-N	318.211	1.962	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cncc(OC(C)C)c1	872340075	LIIVEGOQCOPETD-JTQLQIEISA-N	315.395	1.224	50	20	DDGD	
CCOc1ccc(SCC(=O)NNC(=O)C(C)(C)O)cc1	768244881	OGQTYWORKDTIQQ-UHFFFAOYSA-N	312.391	1.096	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc(N(C)C(C)C)nc1	872401431	UOWQVSYHLDGIOL-UHFFFAOYSA-N	308.382	1.039	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)n1	875292922	DBFAGXWXDRESAM-CHWSQXEVSA-N	319.409	1.663	50	20	DDGD	
O=C(NNC(=O)C1(O)CCCCC1)c1nc2ccccc2s1	874913578	OPNUOSKOXIMXGP-UHFFFAOYSA-N	319.386	1.753	50	20	DDGD	
CCOCC(=O)COC(=O)/C(C#N)=C/c1ccc(OC)cc1	777032537	ASYGCGGGXDDDTD-MDWZMJQESA-N	303.314	1.751	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)[C@@H]1C[C@@]12CCOC2	771561179	LTBMHIYFRMANBT-JOYOIKCWSA-N	312.167	1.714	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1nn2cnnc2s1	870179796	JLCHBZOMYGQMGF-YFKPBYRVSA-N	318.200	1.934	50	20	DDGD	
O=C(CC1(O)CCCC1)NNc1ccnc(Br)c1	771561117	LJMULQBHLJNARI-UHFFFAOYSA-N	314.183	1.982	50	20	DDGD	
C[C@@H](O)c1ncc(C(=O)NNC(=O)c2ccccc2F)s1	773707714	FUHTXUOVMWDKCP-SSDOTTSWSA-N	309.322	1.410	50	20	DDGD	
CCc1ccc(C(=O)NNS(=O)(=O)N2CC[C@H](C)C2)cc1	777913511	MSVHWPINSABVJP-NSHDSACASA-N	311.407	1.070	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)Nc1ccc2ccccc2c1	1117953968	VQELPNYUGIYCFH-UHFFFAOYSA-N	312.373	1.992	50	20	DDGD	
COc1ccc(CNC(=O)NNc2ccc(Cl)nc2)nc1	775083732	JNADUXWOXWNGRE-UHFFFAOYSA-N	307.741	1.965	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCN([C@H]2CCCC[C@@H]2C)CC1	779817665	UIAKGUKCLFDORD-JSGCOSHPSA-N	324.425	1.489	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC(c2ccsc2)CC1	776882119	LJIKIMWSCZQLGX-NSHDSACASA-N	309.435	1.873	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccn(C(F)F)n1	775729273	SYLLMPXFNGIQEF-UHFFFAOYSA-N	310.260	1.362	50	20	DDGD	
COCCN(C)NC(=O)Nc1cnn(-c2ccccc2F)c1C	878982774	FCKRXJZRJKQNPS-UHFFFAOYSA-N	321.356	1.935	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C(C)(Cl)Cl	772235657	IUWPMTWMDKDZQQ-SSDOTTSWSA-N	313.181	1.305	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCC[C@H](C)C1	772160402	VZLCFMYMWQCEAB-RWMBFGLXSA-N	312.410	1.938	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNC(=O)c2ccccc2)cn1C	775343991	IERRWFMOJCWNTE-UHFFFAOYSA-N	316.317	1.278	50	20	DDGD	
COCCCOCC(=O)NNc1ccnc(Br)c1	771561220	MAAFQTRUIWRIPY-UHFFFAOYSA-N	318.171	1.340	50	20	DDGD	
Cc1ccc(CCC=NNC(=O)CNC(=O)c2ccco2)cn1	774378843	OJMVWZVCTHNJRH-UHFFFAOYSA-N	314.345	1.448	50	20	DDGD	
C[C@H]1CCCCN1C(=O)[C@@H](C)NS(=O)(=O)CCCCl	881854711	IQSATUXPPACZTK-WDEREUQCSA-N	310.847	1.324	50	20	DDGD	
CCS(=O)(=O)c1ccc(C(=O)NCCCSC#N)cc1	773586525	GIQDTTDCPZQXRG-UHFFFAOYSA-N	312.416	1.814	50	20	DDGD	
C#CCN1CCC[C@@H](NS(=O)(=O)CC(C)(C)CCl)C1	885508808	LVJNKQYULQXXJM-GFCCVEGCSA-N	306.859	1.268	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)C2CCOCC2)c2ccccc21	883060458	MNPCJXJNRYCQKY-UHFFFAOYSA-N	315.373	1.849	50	20	DDGD	
C[C@H]1C[C@@H](C)C[C@H](C(=O)NNc2nc(O)c3cnn(C)c3n2)C1	780512068	YCMFYZUQCCYMFX-MYJAWHEDSA-N	318.381	1.584	50	20	DDGD	
Cc1ccc(CCCC(=O)NNC(=O)c2cccnn2)s1	882057672	FXXOWNSKGKZRFK-UHFFFAOYSA-N	304.375	1.630	50	20	DDGD	
CC(C)Oc1ccc(NC(=O)C(=O)NNc2ccccn2)cn1	784796995	XWHZBFYQQBIDLV-UHFFFAOYSA-N	315.333	1.346	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@](C)(OC)c1ccccc1F	887148319	XFFALWWYTLLMCU-INIZCTEOSA-N	306.337	1.638	50	20	DDGD	
CCN(C)C(=O)[C@@H](C)NC(=O)NNc1cccc([N+](=O)[O-])c1C	788892602	NIHQMBRYPAOZEC-SNVBAGLBSA-N	323.353	1.396	50	20	DDGD	
Cc1ccc([C@H]2C[C@@H](C)N(CC(=O)NNC(=O)C3CC3)C2)cc1	786124192	DETDZJIOQUNJMT-CJNGLKHVSA-N	315.417	1.730	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)c1cc(C)nn1C	789020644	JXUIGAHYGYHJFQ-UHFFFAOYSA-N	315.333	1.972	50	20	DDGD	
CC(C)(C)C(=O)Nc1nccnc1C(=O)NN=c1cc[nH]cc1	781021182	MVAPVSAPVXTYMY-UHFFFAOYSA-N	314.349	1.035	50	20	DDGD	
CN(NC(=O)[C@H]1CCCCN1Cc1cccc(F)c1)C(N)=O	1123775963	LDUMRALRDWSWLJ-CYBMUJFWSA-N	308.357	1.222	50	20	DDGD	
COCc1ccccc1C(=O)NNc1ccc(-n2ccnc2)nn1	788178764	UOTFHBQQDTUPAD-UHFFFAOYSA-N	324.344	1.566	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)CCCC(N)=O	787463664	FFBXTDOGWIRWIR-UHFFFAOYSA-N	314.183	1.856	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)c2cccnn2)c1C	893681056	FGNKEMUAOOAKLD-UHFFFAOYSA-N	314.345	1.324	50	20	DDGD	
CC(=NNC(=O)Cc1cn2ccccc2n1)c1cc(C)nn1C	789023690	NFZHDTWMKBXHCD-UHFFFAOYSA-N	310.361	1.459	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cccc(C(F)F)c2)nn1	783949936	IJEKFSKPBCGRSH-UHFFFAOYSA-N	321.287	1.804	50	20	DDGD	
Cc1coc(C)c1C(=O)NNC(=O)COc1ccc(F)cc1	785690173	AQDCOIYIJPTKMK-UHFFFAOYSA-N	306.293	1.876	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc(O[C@@H]2CCOC2)cc1	788744374	ZQPVRMWXNFKKLI-CQSZACIVSA-N	319.361	1.208	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)c1cc(Cl)c[nH]1	788230656	SJUUQNDIXLUKLB-UHFFFAOYSA-N	314.754	1.072	50	20	DDGD	
CCNC(=O)NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1ccccc1	785367092	SKFZQHZGRURILG-NASPGAHYSA-N	315.329	1.371	50	20	DDGD	
CO[C@]1(C(=O)NC[C@@]2(C)C[C@@H]2Br)CCSC1	893069567	DIOWXVUGGPYIEU-JMJZKYOTSA-N	308.241	1.798	50	20	DDGD	
Cc1nc(Cl)ccc1NC(=O)C(=O)NNC(=O)C1CCCC1	789733341	JIVJLZVWTDXRDP-UHFFFAOYSA-N	324.768	1.320	50	20	DDGD	
CC(C)[C@H]1CCCC(=NNC(=O)[C@H](C)NS(C)(=O)=O)C1	794508424	OODRKKVFXAOVGU-QWRGUYRKSA-N	303.428	1.243	50	20	DDGD	
C#CCOc1cccc(NC(=O)NNC(=O)c2cccc(C)n2)c1	797625023	PDQFRQZIJYLPMV-UHFFFAOYSA-N	324.340	1.869	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CCC[C@H](c2cccnc2)C1	799871888	ILPZBMBWWWHRKU-LBPRGKRZSA-N	302.378	1.736	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H]2N(C)CCCC2(C)C)nn1	790539494	PKKCGDWHDWBUKB-LBPRGKRZSA-N	306.414	1.532	50	20	DDGD	
COc1c(C(=O)NNc2cc(C)ncn2)cccc1[N+](=O)[O-]	795103564	LXZSFADOJJBZKK-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
COC1(CC(=O)NNC(=O)NCCc2cccs2)CCC1	790515141	ZCXWJJJAFIXEER-UHFFFAOYSA-N	311.407	1.580	50	20	DDGD	
N#CCC1(CNC(=O)NNC(=O)COCc2ccccc2)CC1	797563691	YPLBMLTWLJPNEC-UHFFFAOYSA-N	316.361	1.227	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccc(C(N)=O)nn2)c(F)c1Cl	790879477	VOQHXNRYQRAXML-UHFFFAOYSA-N	323.715	1.433	50	20	DDGD	
Cc1cccc(C(=O)NN[C@H](C(=O)N(C)C)c2ccccc2)n1	795469752	WHMIHGGNKYONSP-HNNXBMFYSA-N	312.373	1.454	50	20	DDGD	
COc1cccc(C=NNC(=O)CNC(=O)c2ccco2)c1F	799877967	MKPAKXJVUBDQOK-UHFFFAOYSA-N	319.292	1.307	50	20	DDGD	
CCNC(=O)CN(C)S(=O)(=O)c1ccc(CCl)cc1	388827914	UTMJZDJKUGSHTQ-UHFFFAOYSA-N	304.799	1.182	50	20	DDGD	
CC(=NNC(=O)C[N+](C)(C)C)c1[nH]c(-c2ccccc2)nc1C	1317847554	KDLBPEAGBQFGMQ-UHFFFAOYSA-O	314.413	1.932	50	20	DDGD	
CC(C)(C=NNC(=O)c1ccc(Cl)nc1)S(C)(=O)=O	1319495875	QMEHQLZNQVISNB-UHFFFAOYSA-N	303.771	1.274	50	20	DDGD	
CCc1cccc(C(=O)NNc2nncc(N)c2Cl)c1O	1319424179	FAAJOROCPLFJKP-UHFFFAOYSA-N	307.741	1.737	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)N[C@@H]2CC23CCOCC3)nn1	1324649506	DMVZHXJVZUNPBY-GFCCVEGCSA-N	319.409	1.969	50	20	DDGD	
COc1ccc(NNC(=O)CCc2nc3cccnc3[nH]2)nc1	1321569952	IRQGGKHWHLYBAH-UHFFFAOYSA-N	312.333	1.437	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1n[nH]c2c1CCCC2)c1ccsc1	1328991248	WXDPBFBDLCIIMV-VIFPVBQESA-N	318.402	1.915	50	20	DDGD	
O=C(NCCCc1ccccc1F)NNC(=O)C1CCNCC1	1327485514	GAGYEOKQSUUMFJ-UHFFFAOYSA-N	322.384	1.088	50	20	DDGD	
CNC[C@H](C)CNC(=O)NNc1ccc(F)c(C(=O)OC)c1	1325681380	ROPZBQNDGCWJGF-VIFPVBQESA-N	312.345	1.094	50	20	DDGD	
Cc1csc(NC(=O)C(=O)NNc2nccnc2C(C)C)n1	1321132475	MQOROKLPSTXPDY-UHFFFAOYSA-N	320.378	1.447	50	20	DDGD	
CCN(CCI)C[C@@H](O)C(F)(F)F	191085658	MSUVZFREPBXYLP-ZCFIWIBFSA-N	311.085	1.667	50	20	DDGD	
C#CCCCNC(=O)NNC(=O)c1cncn1-c1ccccc1	1321795543	BZGGKKGNJVVJKX-UHFFFAOYSA-N	311.345	1.230	50	20	DDGD	
O=C(NCC(Cl)Cl)c1cccc(N2CCNC2=O)c1	1324665390	LFORNSUSAJTILG-UHFFFAOYSA-N	302.161	1.750	50	20	DDGD	
CC[C@@H]1C[C@H](CC(=O)NNc2nncc(N)c2Cl)CCO1	1254438443	JLXGYBDPJQGOBG-RKDXNWHRSA-N	313.789	1.751	50	20	DDGD	
O=C(NC[C@H]1CCCCN1)NNC(=O)c1ccccc1Cl	1261376860	ZZVZTMNIJLPTLL-SNVBAGLBSA-N	310.785	1.426	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC2(CC1)CNC2	1341319221	RUKPOZPSHXAXOI-UHFFFAOYSA-N	310.829	1.564	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](C)[C@@H]2CN(C)CCN2C)cc1F	1263778799	RSGNYAPXJJJRPM-WFASDCNBSA-N	323.416	1.395	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2nc(C3CC3)cs2)nc1	1528060990	MAGZACAGZBCCFH-UHFFFAOYSA-N	318.358	1.959	50	20	DDGD	
COc1cc(C=NNC(=O)CC(C)C)ccc1-c1nn[nH]n1	1609341144	ALFKVXKAFYMKFY-UHFFFAOYSA-N	302.338	1.372	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cc(=O)c3ccccc3[nH]2)c1	1602448129	NDZZUJLCFVGKBA-UHFFFAOYSA-N	323.308	1.983	50	20	DDGD	
Cc1c(Br)c(C(=O)NNC(=O)C(C)(C)C)nn1C	1527451663	OQIBDIXVQJHKDJ-UHFFFAOYSA-N	317.187	1.298	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)c2ccc(-c3nn[nH]n3)n2C)c1	1605647666	YJJQEECUKNATIA-UHFFFAOYSA-N	311.349	1.579	50	20	DDGD	
CC(C)(O)C(=O)NNc1cc(C(=O)O)ccc1Br	1603685442	HYWVXBFFNNBFKN-UHFFFAOYSA-N	317.139	1.361	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)Nc1cncc(C(=O)O)c1	1604020743	RONQHBUAUBOIAR-UHFFFAOYSA-N	316.321	1.842	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)c1ccc(-c2nn[nH]n2)cn1	1604530400	UWPIIYBFTKZFEE-UHFFFAOYSA-N	323.360	1.889	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2CCc3nc[nH]c3C2)cc1F	1602384635	IZIKUKSHAWLUDP-QMMMGPOBSA-N	318.308	1.495	50	20	DDGD	
CN(C)c1cc(C(=O)NN=C2CCC[C@H](C(=O)O)C2)ccn1	1606047059	OEPNLHAWJODFQG-NSHDSACASA-N	304.350	1.508	50	20	DDGD	
CNc1cc(CNC(=O)NNc2cccc(C(=O)O)c2)ccn1	1606308281	ICWRIFXLFMGNMI-UHFFFAOYSA-N	315.333	1.648	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCN1CCC[C@H](O)[C@H]1C(=O)O	1609669313	GJJYIDMJPGTBBV-RYUDHWBXSA-N	303.475	1.918	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)NN=CC[C@H]1CCOC1	1549321327	UGPGBKFKMWJZHZ-KCQAQPDRSA-N	320.393	1.416	50	20	DDGD	
C/C=C/C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cl)COC	1802284656	NDPYOBBKWNRCFR-YPQLIASRSA-N	314.813	1.455	50	20	DDGD	
O=C(NCC[C@H]1CCNC1)NNc1ccc(C(=O)O)cc1F	1610691377	YGEHLSQDXTYYEF-SECBINFHSA-N	310.329	1.150	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@H](C(=O)NNc2cccc(C(=O)O)c2)C1	1610161552	OFOOLTQVOJKSDD-CMPLNLGQSA-N	320.345	1.807	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=Cc2cc(C(=O)O)co2)c1	1610104458	YGWOUZYIRGPZBE-UHFFFAOYSA-N	301.302	1.808	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1cc(F)ccc1F	1549317655	XGJREOVIKWGLQB-WFASDCNBSA-N	323.343	1.668	50	20	DDGD	
Cc1cc(Cl)cc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)c1	1549311717	BHTHSSHRUSCYCR-LSDHHAIUSA-N	321.808	1.962	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@]2(C)CCCN2)c2ccccc2n1	1579565253	FXPVDLBUGWZFJF-KRWDZBQOSA-N	312.373	1.446	50	20	DDGD	
COc1cc(NNC(=O)NCC2[C@@H]3CNC[C@@H]23)ccc1Cl	1579166997	UXJHRSCPCULHDM-NXEZZACHSA-N	310.785	1.440	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)C2(C(=O)O)CCC2)c1	1574359365	CXDYKTUUIWAOJL-UHFFFAOYSA-N	321.402	1.876	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H]1C[C@]12CCCNC2	1579180782	RLWFEPCPLDGKNN-ABAIWWIYSA-N	306.318	1.899	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2NCCC2(C)C)c(F)c1	1578870894	JZKWTMDEEWADSY-LBPRGKRZSA-N	309.341	1.444	50	20	DDGD	
O=C(NNC(=O)[C@H]1Cc2ccc(O)cc2N1)OCC(F)(F)F	1580736509	VRAKJKVAIFYKBS-SECBINFHSA-N	319.239	1.049	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)c1ccsc1-c1nn[nH]n1	1589582352	KMWUNNUGOSBPNP-UHFFFAOYSA-N	308.367	1.125	50	20	DDGD	
O=C(C(Cl)Cl)N1CC2(CCCN2C(=O)[C@H]2C[C@H]2F)C1	1845095836	TWCSLFYWBSJMKQ-JGVFFNPUSA-N	309.168	1.352	50	20	DDGD	
CC(=O)N1CCCC12CN(C(=O)[C@H](C)CBr)C2	1842762577	APPFJKGXPCKZNR-SECBINFHSA-N	303.200	1.241	50	20	DDGD	
CCOC1CC2(C1)C[C@@H]2C(=O)NNc1ncccc1C(=O)O	1591762151	LIOKGPNLXZUGHH-QMJNDHNRSA-N	305.334	1.428	50	20	DDGD	
C[C@]1(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)CCCS1	1590120395	NKONKQFQSQQUPG-CQSZACIVSA-N	316.390	1.868	50	20	DDGD	
COCCN(CC(C)C)NC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1	1599235389	YGXWTQBUPVONCX-CHWSQXEVSA-N	300.399	1.513	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1sc2c(c1C(=O)O)CCOC2	1596509110	AYEDCAAACKAFMM-SOFGYWHQSA-N	322.342	1.901	50	20	DDGD	
CCCN1CCC[C@H]1C(=O)NNc1cccc(C(=O)O)c1F	1595907990	LAUMOOPNGRHESH-LBPRGKRZSA-N	309.341	1.841	50	20	DDGD	
C[C@]1(CNC(=O)N[C@H]2CC=C(C(=O)O)C2)C[C@@H]1Br	1594018162	XDYAERGLBJJTAP-HOTUBEGUSA-N	317.183	1.633	50	20	DDGD	
O=C(O)CSCC(=O)NNc1cc(C(F)(F)F)ccn1	1595126957	YDZLSACLDDXVBG-UHFFFAOYSA-N	309.269	1.361	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNc1ccc(F)c(C(=O)O)c1	1598838113	IWVJAZBFDLXHRV-MRVPVSSYSA-N	312.297	1.556	50	20	DDGD	
COc1cc(O)ncc1C(=O)NNc1cccc(F)c1C(=O)O	1599348284	BHYYGESXHUIMQF-UHFFFAOYSA-N	321.264	1.390	50	20	DDGD	
O=C(NN=Cc1csc(C(=O)O)c1)c1ccc2c(c1)OCO2	1776019496	YGXDVPWHXABSBI-UHFFFAOYSA-N	318.310	1.939	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=C[C@H]2C[C@@]23CCCOC3)c1	1776096888	WHKJTRVPEGWXSM-CZUORRHYSA-N	302.330	1.917	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@@H]2CCN2C(C)(C)C)CC[C@H]1C(=O)O	1776098735	VZTPGEGRABUYFU-RTXFEEFZSA-N	309.410	1.852	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc(/C=C\C(=O)O)cc1	1776118029	PKXMWCHUOZKVHP-FSGUHFLXSA-N	300.314	1.454	50	20	DDGD	
COC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl	1796804714	OYSJIKJJAKIVLR-RMPHRYRLSA-N	320.792	1.442	50	20	DDGD	
Cc1nnc(NNC(=O)c2cccc(Br)c2)nc1O	11548052	HPBJHQCCEDMRRI-UHFFFAOYSA-N	324.138	1.405	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)c1ccc(O)nc1	12061190	ZMXRBBXYVZCLAF-UHFFFAOYSA-N	321.336	1.944	50	20	DDGD	
CCn1c(SCC(=O)NNC(=O)C2CC2)nc2ccccc21	15794434	CWITXJNVVHYPEJ-UHFFFAOYSA-N	318.402	1.706	50	20	DDGD	
COc1cccc(-c2nc(C(=O)NNc3ncccn3)c(C)[nH]2)c1	162718684	NHTKMZKGKSXSHB-UHFFFAOYSA-N	324.344	1.941	50	20	DDGD	
CCNC(=O)NNC(=O)c1c(-n2cccc2)sc2c1CCC2	160395286	RRENZHSUXXTEFN-UHFFFAOYSA-N	318.402	1.991	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cncc(F)c2)cc1C	164244601	OUUKLMGZYGKHBA-UHFFFAOYSA-N	317.320	1.678	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)[nH]n1	152980414	ZOEHKALLQFJXRA-DTWKUNHWSA-N	318.299	1.848	50	20	DDGD	
O=C(NNc1cccc(F)c1)c1sccc1-n1cnnn1	154206507	JYAXTPDLOLAGNG-UHFFFAOYSA-N	304.310	1.620	50	20	DDGD	
CC(C)(C)C(=O)Cn1cc(C(=O)NNc2ccccc2)nn1	156537001	JBIRDUIIVZIJEV-UHFFFAOYSA-N	301.350	1.650	50	20	DDGD	
C[C@@H](Cc1ccccc1F)C(=O)NNC(=O)c1cccnc1	154692155	RVNJOBRMIPDLIS-NSHDSACASA-N	301.321	1.861	50	20	DDGD	
CCC(CC)N(CCOC)S(=O)(=O)CBr	127169872	IDFHFTYQLWMERF-UHFFFAOYSA-N	302.234	1.806	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)OC(C)(C)C	490579547	WZTUEPQUQNKVFR-UHFFFAOYSA-N	317.386	1.847	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)Cc1cncn1C	862290483	XPGOBAQCLYDQEC-UHFFFAOYSA-N	302.334	1.262	50	20	DDGD	
COc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)CC(C)(C)C)c1	103196182	GJLGUUNYUMEZCS-UHFFFAOYSA-N	309.322	1.801	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2ccccc2C)n1	53959287	NUGNFRWPVFLAAY-UHFFFAOYSA-N	301.350	1.661	50	20	DDGD	
CCCC1CCC(NC(=O)NNC(=O)c2cnn(C)c2)CC1	118065272	MXSWBHRTVFHGGT-UHFFFAOYSA-N	307.398	1.723	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1nnc(-c2ccccc2)o1	63793911	KZLAHNJAXAFSDC-UHFFFAOYSA-N	303.347	1.032	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1cnn(C)c1	117678835	DAAORANZZPEBPQ-SECBINFHSA-N	322.752	1.302	50	20	DDGD	
CC(C)N(C)CC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	60161818	WSORDJIRDXRGPP-NSHDSACASA-N	311.357	1.081	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)n(C)n1	119586950	XPJPEOPNHWDIBJ-UHFFFAOYSA-N	316.361	1.185	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)CCc1ccco1	61478836	KKCZNJYQKCOQHH-UHFFFAOYSA-N	302.330	1.829	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)cc1)NNc1cccc(F)c1	178840335	UZCVHKNMNZUUGK-UHFFFAOYSA-N	305.284	1.838	50	20	DDGD	
CC(C)c1ccc(S(=O)(=O)NNC(=O)c2cnn(C)c2)cc1	117740056	FHTIJVGREPDZDY-UHFFFAOYSA-N	322.390	1.167	50	20	DDGD	
CN(NC(=O)COc1ccccc1Cc1ccccc1)C(N)=O	179696775	KXXMQVLQUPBLIE-UHFFFAOYSA-N	313.357	1.698	50	20	DDGD	
N#Cc1ccccc1S(=O)(=O)NNC(=O)c1ccccc1	22307296	XCLJNDWMAMBSEY-UHFFFAOYSA-N	301.327	1.182	50	20	DDGD	
C[C@H]1CN(/C(=C/C#N)c2ccccc2)CCN1S(C)(=O)=O	181604853	WVCYYBPUBYYWMV-LIOBOASVSA-N	305.403	1.517	50	20	DDGD	
CC[C@H](C(=O)NNc1cccc([N+](=O)[O-])c1)N1CCCC1=O	178836956	JBHFWQNQKNVLRC-GFCCVEGCSA-N	306.322	1.439	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Nc1ccc(N(C)C)cc1)C1CC1	174696781	HTTMPCDVIKFGRX-JTQLQIEISA-N	305.382	1.887	50	20	DDGD	
NS(=O)(=O)Cc1cccc(C(=O)NNc2ccccc2F)c1	178898125	PXZCCEINJFJJOP-UHFFFAOYSA-N	323.349	1.371	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)Cc1cccc(OC(C)C)c1	120607023	UUKPMQDROGOLHI-ZDUSSCGKSA-N	321.421	1.852	50	20	DDGD	
CCC[C@H](NC(=O)Cc1ccccc1)C(=O)NNC(=O)OCC	66370313	WIVRIQLWSQKJNG-ZDUSSCGKSA-N	321.377	1.291	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)Cn2nc3ccccn3c2=O)c1	127710300	YARONNSCQDJBIR-UHFFFAOYSA-N	315.308	1.087	50	20	DDGD	
CC1(C)C[C@@H]1C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1	122001615	FLTJAHDENIVJKB-CYBMUJFWSA-N	323.418	1.617	50	20	DDGD	
CCSCC[C@@H](C)NC(=O)NNc1nc2ccccn2n1	189381782	LWENTJNJMVNVLO-SNVBAGLBSA-N	308.411	1.887	50	20	DDGD	
COc1cccc([C@@H](O)C(=O)NNc2cccc([N+](=O)[O-])c2)c1	124257166	AMYMWGXILJNDRC-CQSZACIVSA-N	317.301	1.780	50	20	DDGD	
CC(=O)Nc1cccc(CNC(=O)NNc2cccnn2)c1	77347376	GDGBLHPTKZSDJP-UHFFFAOYSA-N	300.322	1.261	50	20	DDGD	
O=C(Cn1nnc(-c2ccccc2)n1)NNc1ccnc(F)c1	182535055	YTNAVKHVXANVAB-UHFFFAOYSA-N	313.296	1.018	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	184003825	YINMSHAVJMJCJS-SFYZADRCSA-N	301.268	1.510	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)CNc2ccccc2)s1	125034014	HOZDZMMEOPAPQH-UHFFFAOYSA-N	304.375	1.633	50	20	DDGD	
Cn1ccnc1[C@@H]1CCN(S(=O)(=O)CCCCCl)C1	372926554	QPWZAZKJBFWDAK-LLVKDONJSA-N	305.831	1.558	50	20	DDGD	
CCO[C@@H](C)C(=O)NNC(=O)Cc1cccc2ccccc12	75884621	DGCNUGRCBNUJGJ-LBPRGKRZSA-N	300.358	1.955	50	20	DDGD	
C#CCCN1CCN(C(=O)c2c(C)nn(CCCl)c2C)CC1	73228449	AWXPBVOKGOITSI-UHFFFAOYSA-N	322.840	1.520	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](C)OCc2ccccc2)n1	187667611	NDQPQJXIADSOME-LBPRGKRZSA-N	316.361	1.842	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](C)Cc1cccc(F)c1	132177763	CRALWYZYIFEOAO-SNVBAGLBSA-N	304.325	1.946	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc2[nH]cnc2c1	40467787	UGGVDCGBEQVPIH-UHFFFAOYSA-N	310.313	1.646	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)Cc2ccc(F)cc2)cc1O	89434349	WLRPUHGVQDOZDQ-UHFFFAOYSA-N	316.332	1.772	50	20	DDGD	
CC(=O)NNC(=O)CCOc1cccc(Br)c1	192863531	HIQAOKPZUZLJHJ-UHFFFAOYSA-N	301.140	1.385	50	20	DDGD	
Cc1cccc2c(CCC(=O)NNC(=O)C(C)(C)O)c[nH]c12	190063205	KYDGWHWPSAMEQM-UHFFFAOYSA-N	303.362	1.327	50	20	DDGD	
COCc1ccc(NC(=O)C(=O)NNc2ccnc(F)c2)cc1	194157021	VQGPRWWFNBDRKW-UHFFFAOYSA-N	318.308	1.449	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNc1nccc(OC)n1	87086871	OCJSQVKGLZJFAK-UHFFFAOYSA-N	305.338	1.284	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCc1nccs1	195165972	UOGNOKNIQMJLIP-UHFFFAOYSA-N	304.375	1.606	50	20	DDGD	
CCN1C[C@H](C(=O)NNc2ncnc3ccsc23)CC1=O	132604243	DXSAGILCBFECPY-MRVPVSSYSA-N	305.363	1.003	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Cc2ccc(F)c(F)c2)n1	86994899	VFQWTVPAYROUKE-UHFFFAOYSA-N	322.315	1.168	50	20	DDGD	
CC(C)CCOc1ccc(C(=O)NNC(=O)C(C)(C)O)cc1	191755675	DOWVLIZZSGZGNB-UHFFFAOYSA-N	308.378	1.643	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)nc1	133713627	MLOKBWJHTUNPER-SRVKXCTJSA-N	320.393	1.573	50	20	DDGD	
Cc1noc(C2CC2)c1NC(=O)NNC(=O)c1ccncc1	130003450	KHJXDWJZJZCDLX-UHFFFAOYSA-N	301.306	1.722	50	20	DDGD	
CNC(=O)c1ccc(CNC(=O)NNc2cccc(C#N)c2)cc1	45840845	UUDIKDZPUJZXJY-UHFFFAOYSA-N	323.356	1.744	50	20	DDGD	
C[C@@H](C(=O)NNc1ccccc1[N+](=O)[O-])N(C)CC(F)(F)F	192209216	QYIOOMRKVDBNBR-QMMMGPOBSA-N	320.271	1.921	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCOc3ccccc32)o1	84380717	RWXNVKLHZXQWFP-GFCCVEGCSA-N	300.314	1.915	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@H](C)n2nnc(-c3ccccc3)n2)c1	88423192	KHHYMICWVMPULK-LBPRGKRZSA-N	323.360	1.748	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNC(=O)NC2CCCCC2)cc1	193940245	WNCISGWQOCRCBI-UHFFFAOYSA-N	304.350	1.062	50	20	DDGD	
CC[C@@H](CSC)NC(=O)NNC(=O)c1ccc(C#N)cc1	91630349	XHOWRTOHHHSYBO-LBPRGKRZSA-N	306.391	1.644	50	20	DDGD	
CC[C@H](C(=O)NNc1cc(C#N)cc(Cl)n1)N1CCCC1=O	93545217	LGOLSLJLRUAIAI-SNVBAGLBSA-N	321.768	1.451	50	20	DDGD	
CSCCNC(=S)NNC(=O)Cc1cccc(F)c1F	94120744	YVNBANYUZLZXPF-UHFFFAOYSA-N	319.402	1.366	50	20	DDGD	
O=C(NC[C@H]1CCOC1)NNC(=O)c1cc2ccccc2o1	267315026	JAFBDKRVFISKCN-SNVBAGLBSA-N	303.318	1.413	50	20	DDGD	
CSc1nc(C)c(CCC(=O)NNC(=O)C2CCC2)c(C)n1	264809621	VISOCCZHJBSXTC-UHFFFAOYSA-N	322.434	1.695	50	20	DDGD	
C[C@H](CN1CCCC1=O)NC(=O)NNc1ccc(Cl)nc1	266759124	OWDICGIAOUFVJY-SECBINFHSA-N	311.773	1.372	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cc2ccccc2o1)[C@@H]1CCOC1	267334318	FYSZRRCRJXVOSM-CMPLNLGQSA-N	317.345	1.802	50	20	DDGD	
C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NNc1cccc([N+](=O)[O-])c1	268149213	MKVBLKQEFWCRDS-HZMBPMFUSA-N	319.365	1.704	50	20	DDGD	
COC(=O)[C@@H]1COCCN1CCO[Si](C)(C)C(C)(C)C	367359955	CZYGCOKDPOFKPJ-LBPRGKRZSA-N	303.475	1.882	50	20	DDGD	
CCNC(=O)N(C)NC(=O)/C=C/c1ccc(O)c(OCC)c1	274486020	JHGDIFHRMWCMTM-VQHVLOKHSA-N	307.350	1.497	50	20	DDGD	
CN(C)c1nc2cc(NC(=O)NNC(=O)C3CCC3)ccc2o1	272867016	TWSLCTZEHVMEIK-UHFFFAOYSA-N	317.349	1.847	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1	276692057	HGZKRNPUVUZIAX-QWHCGFSZSA-N	301.350	1.344	50	20	DDGD	
CSc1cccc(NC(=O)C(=O)NNC(=O)C2CC2)c1C	274095059	VBQZKDABTATTEH-UHFFFAOYSA-N	307.375	1.213	50	20	DDGD	
CSc1ccccc1NC(=O)C(=O)NNC(=O)CC(C)C	274023979	CJHQVZBECXULSR-UHFFFAOYSA-N	309.391	1.541	50	20	DDGD	
CC(C)Cn1ncc(C(=O)NNC(=O)C2CC2)c1C(F)F	270240722	RAEXIVPATAZLMC-UHFFFAOYSA-N	300.309	1.648	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCOC[C@H]1[C@H]1CCCCC1=O	273684707	GJRVMJJNLSQDNZ-XQPOUDKPSA-N	306.362	1.417	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(C)cc1C	272325463	JERNIYILHMXQFE-LBPRGKRZSA-N	309.366	1.508	50	20	DDGD	
COc1ccc(OC)c([C@H]2C[C@H]2C(=O)NNC(=O)N(C)C)c1	276277019	OMVRIZKMLKRPGK-ZYHUDNBSSA-N	307.350	1.110	50	20	DDGD	
CSSCCNC(=O)c1cc(S(C)(=O)=O)ccc1F	284292623	ZMJAALVWTCGVKV-UHFFFAOYSA-N	323.436	1.970	50	20	DDGD	
CC(C)(C)n1ncnc1CNC(=O)NNc1cc(Cl)ccn1	282588742	HOYQBKGCRJRJBM-UHFFFAOYSA-N	323.788	1.908	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C1(C#N)CCOCC1	288833432	VXSAQFROQIGYSW-UHFFFAOYSA-N	304.306	1.667	50	20	DDGD	
COCCCn1nccc1/C=C(\C#N)C(=O)O[C@H](C)COC	282673643	PIHNYJXCTLCJGT-AUWXEVLLSA-N	307.350	1.405	50	20	DDGD	
Cc1coc(C)c1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	288281418	AYCYZHBGYZJLDQ-LLVKDONJSA-N	300.380	1.002	50	20	DDGD	
O=C(NNC(=O)c1cc(F)cc2nn[nH]c12)Nc1ccccc1	801988095	KLFJITNUXUIENE-UHFFFAOYSA-N	314.280	1.564	50	20	DDGD	
Cn1nnc2c1C[C@@H](C(=O)NNc1cccc3cnccc13)CC2	291330836	QHSGPBSEYURJHB-NSHDSACASA-N	322.372	1.612	50	20	DDGD	
O=C(NNc1cccc(F)n1)C(=O)Nc1scnc1C1CC1	807392648	UVAUJMHWZHGEMY-UHFFFAOYSA-N	321.337	1.636	50	20	DDGD	
COCCCCC(=O)NNC(=O)CNc1ccccc1OC	299314831	FDBJWAVFQLINHP-UHFFFAOYSA-N	309.366	1.071	50	20	DDGD	
Cc1cc(Cl)nc(CNC(=O)NNc2ccc(C)nn2)c1	800003058	METOXWLCLWABEW-UHFFFAOYSA-N	306.757	1.968	50	20	DDGD	
CCC(CC)(CNC(=O)NNc1nc(C)cc(OC)n1)OC	293291468	DGXPYRKDLSIPBN-UHFFFAOYSA-N	311.386	1.625	50	20	DDGD	
O=C(NNc1cccnn1)[C@H](O)c1cccc(C(F)(F)F)c1	803099345	QZGIEQFMWPLSDU-LLVKDONJSA-N	312.251	1.672	50	20	DDGD	
CCC(C)(C)N(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	298570850	ITWOIOXUXJTDIB-UHFFFAOYSA-N	322.365	1.476	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H]1CCN(c2ccccc2F)C1	290422096	RUPDLHCGWWPFOQ-NSHDSACASA-N	308.357	1.345	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCSC1)Nc1cc(F)cc(F)c1	802001232	ZSJSAGXFRUIFMC-SSDOTTSWSA-N	301.318	1.871	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H]2OCCc3ccccc32)O1	294033268	XQMIDWFVGVTQLS-LEWSCRJBSA-N	304.346	1.015	50	20	DDGD	
NC(=O)c1cccc(OCCC(=O)NNc2ncccc2F)c1	804212177	JVTWSCNVPVKHKK-UHFFFAOYSA-N	318.308	1.232	50	20	DDGD	
CCc1noc(NC(=O)NNC(=O)COCc2ccccc2)n1	296835152	RKEFAFRVEQQRFN-UHFFFAOYSA-N	319.321	1.002	50	20	DDGD	
COc1cc(NC(=O)C(=O)NN(C)c2ccccc2)ccn1	807000646	GGDRMQFMZKXDOU-UHFFFAOYSA-N	300.318	1.196	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	297173155	AHGGJOKEZWYLOF-LBPRGKRZSA-N	304.306	1.197	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C2(C)CCOCC2)cc1	802057116	BFQXZVWAAFPJTD-UHFFFAOYSA-N	307.350	1.665	50	20	DDGD	
CCc1c(C(=O)NN(C)CCOC)nnn1Cc1ccccc1	817601712	GLEFYHIJUBMDNB-UHFFFAOYSA-N	317.393	1.112	50	20	DDGD	
CC(=NNC(=O)CC1CC1)c1cccc(S(=O)(=O)N(C)C)c1	814988814	XIXCUXIUSJJRSM-UHFFFAOYSA-N	323.418	1.577	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCCC12CCCC2	814834877	ACUGCADNODPHQI-JTQLQIEISA-N	301.412	1.141	50	20	DDGD	
C[C@H](Cc1cnc2ccccc2n1)C(=O)NNC(=O)c1ccc[nH]1	814796873	UJAGSPCYPMBJJZ-LLVKDONJSA-N	323.356	1.598	50	20	DDGD	
CN(C)C1CCC(NC(=O)NNC(=O)c2ccccc2F)CC1	817167492	PZWZNNHVROXURM-UHFFFAOYSA-N	322.384	1.643	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21	816971240	XTPUPTJJCFKAKK-PSASIEDQSA-N	302.338	1.018	50	20	DDGD	
CO[C@H]1CCC[C@H](C(=O)NNC(=O)c2cccc(C#N)c2)C1	814407974	BKHHKQWOLWUYJC-KBPBESRZSA-N	301.346	1.524	50	20	DDGD	
O=C(Cc1cc(Cl)cc2c1OCC2)NNC(=O)CC1CC1	819104330	IPCRXGSZJZNEPJ-UHFFFAOYSA-N	308.765	1.765	50	20	DDGD	
O=C(CCCN1C(=O)CCC1=O)NNc1cccc(Cl)n1	817011602	BFSVJSIQERZQHV-UHFFFAOYSA-N	310.741	1.107	50	20	DDGD	
O=C(NCc1ccc(C(=O)O)cc1)NNc1cncc(Cl)n1	819194741	ITEOUYIJZOSPCC-UHFFFAOYSA-N	321.724	1.655	50	20	DDGD	
CCC[C@@H](C)C(=O)NCCNC(=O)NCCSSC	814330436	QNWJTZMKHYQZPV-SNVBAGLBSA-N	307.485	1.849	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1nnc2ccccc2n1	810493504	CZWBTKOCJIRLCW-UHFFFAOYSA-N	300.709	1.830	50	20	DDGD	
O=C(NN=C1CCCOc2ccccc21)[C@H]1CCS(=O)(=O)C1	728425512	IWDCFCYXRDROAI-NSHDSACASA-N	322.386	1.114	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)Nc2c[nH]ccc2=O)cc(C#N)n1C	729365989	AVXDAQBTPHANQY-XGICHPGQSA-N	307.313	1.439	50	20	DDGD	
CCN(CCO)NC(=O)c1cccc(CN2CCCCC2)c1	823893574	OBPSRMVAOXABIU-UHFFFAOYSA-N	305.422	1.632	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C[C@H](C)C2CC2)cn1	729691580	GLVWSPGPZUSBEL-VIFPVBQESA-N	308.407	1.844	50	20	DDGD	
CCn1cc(NC(=S)NNC(=O)c2ccc(C#N)cc2)cn1	726129745	YALGPLSYBAOFGL-UHFFFAOYSA-N	314.374	1.406	50	20	DDGD	
CN(NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C1CC1	496887761	YAUBWCJKVCZHMX-GFCCVEGCSA-N	313.398	1.138	50	20	DDGD	
C[C@H](CC(=O)O)C(=O)NNC(=O)c1ccc2ccccc2n1	827303978	MWHQTTADPISTPK-SECBINFHSA-N	301.302	1.107	50	20	DDGD	
COC(=O)Nc1ccc(C(=O)NN(C)C[C@@H](C)O)c(Cl)c1	822562991	FNRYIWKVBFNLBM-MRVPVSSYSA-N	315.757	1.476	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@@H]1CCN(C(C)(C)C)C1=O	827080684	JKSPLTNADAITDH-LLVKDONJSA-N	305.382	1.416	50	20	DDGD	
O=C(NNC(=O)c1cccc2cccnc12)NOCC1CCC1	824038085	NFALACHGUIGIAR-UHFFFAOYSA-N	314.345	1.911	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H]2CCCCN(C)C2=O)c1	824862304	COBLWCXVSHOFMW-JTQLQIEISA-N	309.391	1.076	50	20	DDGD	
COc1cc(C=NNC(=O)c2cccn2C)cc2c1OCO2	725847756	RRXDPNVZSWIFIJ-UHFFFAOYSA-N	301.302	1.526	50	20	DDGD	
Cc1nc(CC(C)C)c(NC(=O)NNC(=O)c2cc[nH]n2)s1	821867805	HTOVZPGJFSMIIX-UHFFFAOYSA-N	322.394	1.840	50	20	DDGD	
Cc1ccc(CCCC(=O)Nc2cccc(B(O)O)c2)s1	584910976	FSSSZUKKAMCONW-UHFFFAOYSA-N	303.192	1.698	50	20	DDGD	
CCN(CCO)NC(=O)CCc1cnn(-c2ccccc2)c1	823838832	WPRPSLPXSSVCET-UHFFFAOYSA-N	302.378	1.150	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1	496361413	KXTDQRQUICHLRW-VXGBXAGGSA-N	311.382	1.145	50	20	DDGD	
COC(=O)CC(=O)NNc1nc2ccc(OC)cc2cc1C	907249567	VSEVIBBMTMYMND-UHFFFAOYSA-N	303.318	1.558	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1	823951046	HKLASRRYLFCPSO-BBRMVZONSA-N	323.412	1.524	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1ccco1	494095149	ROGYYTSEATURHO-UHFFFAOYSA-N	311.338	1.346	50	20	DDGD	
CC(C)[C@H](NC(=O)O)C(=O)NNC(=O)c1cccc(Cl)c1	736375882	RAWSHWWEEORWII-JTQLQIEISA-N	313.741	1.393	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@H](C(C)C)N(C)C	822728340	QGTLSHZBHPTPTJ-ZDUSSCGKSA-N	311.357	1.642	50	20	DDGD	
C[C@H](c1ccccc1)N(C(=O)c1ccc(B(O)O)cc1)C1CC1	584989698	SXMNXSMRLZMRDQ-CYBMUJFWSA-N	309.174	1.732	50	20	DDGD	
O=C(NCC1(Cc2ccccc2)CCC1)c1cccc(B(O)O)c1	584958576	QGZUCRPXFAOZCZ-UHFFFAOYSA-N	323.201	1.509	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2C[C@H](O)C[C@@H]2c2ccccc2)cn1	491177089	UGZUGSCWLZITLR-JRLUYGLASA-N	322.368	1.662	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1nc(CN2CCOCC2)cs1	490752825	GPBJJJANYXZZEY-PKNBQFBNSA-N	322.390	1.358	50	20	DDGD	
C[C@@H](COc1ccc(F)cc1)NCc1cccc(B(O)O)c1	585019042	ZXLZGNQNNSJWPS-LBPRGKRZSA-N	303.142	1.063	50	20	DDGD	
Nc1ccc(C(=O)NN=C2CCN(CCCC(=O)O)CC2)cc1	739205497	SFYDNWFICFTROY-UHFFFAOYSA-N	318.377	1.315	50	20	DDGD	
CCCN1CCC[C@H](C(=O)NNC(=O)c2ccc(Cl)nc2)C1	906240062	WXACJESZOFDXMK-LBPRGKRZSA-N	324.812	1.618	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1cccc(C(=O)O)c1	490878670	POTSTKXMUKPCAP-UVTDQMKNSA-N	302.330	1.835	50	20	DDGD	
C[C@H](NC(=O)NNc1ncc(F)cc1F)C(C)(C)CN(C)C	838510786	NMWIBBZVCQMQFL-VIFPVBQESA-N	315.368	1.962	50	20	DDGD	
O=C(N[C@H]1CCCc2sccc21)c1ccc(B(O)O)cc1	584977128	XCNVRGQGHIIETH-ZDUSSCGKSA-N	301.176	1.235	50	20	DDGD	
O=C(NNc1cnccn1)c1cn(-c2ccc(Cl)cc2)nn1	734245124	JECXAGXSBYGBRL-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
O=C(CCN1CCCCCC1)NN=Cc1cnc2n1CCOC2	905430238	RZNLEGGOCYUVAE-UHFFFAOYSA-N	319.409	1.130	50	20	DDGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCC(=O)O)c1C	739808953	VNNTUWBPNWZSGF-JBARUQGQSA-N	319.361	1.420	50	20	DDGD	
Cc1ccc(CNC(=O)[C@]2(C)C[C@@H]2Br)c(=O)n1C	907800329	JFCLLKQSNOIMBQ-GXFFZTMASA-N	313.195	1.483	50	20	DDGD	
C[C@H](CC(=O)NNc1ccccc1[N+](=O)[O-])c1cnn(C)c1	839484068	BBXRVFNTFBGBOW-SNVBAGLBSA-N	303.322	1.965	50	20	DDGD	
C[C@@H](OC1CCCCCC1)C(=O)Nc1cccc(B(O)O)c1	584913274	SARFXLMVFMNEKZ-GFCCVEGCSA-N	305.183	1.433	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN[C@@H]2CCC[C@@H]3C[C@@H]32)cc1	830579214	BEJHCPBYIMCHPB-QLFBSQMISA-N	301.390	1.534	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NC[C@H]2CCCC2(F)F)cc1	836264950	LFYFOFQQKIADIP-GFCCVEGCSA-N	322.315	1.938	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)[C@H](C)CN2CCOCC2)C1(C)C	736426954	IYNYZTOWJAXJTI-OCCSQVGLSA-N	311.426	1.262	50	20	DDGD	
CCS(=O)(=O)NCCOC(=O)/C(C#N)=C\c1ccc(C)cc1	731694956	XNCCRUTVXNJTHV-UVTDQMKNSA-N	322.386	1.385	50	20	DDGD	
C#CCCCC(=O)NN=C(C)c1ccc(NS(C)(=O)=O)cc1	901323911	AKQOLBWALHMMOD-UHFFFAOYSA-N	321.402	1.702	50	20	DDGD	
COc1cc(CCNC(=O)NNC(=O)C(C)(C)C)ccc1O	734219602	WHBIXVGBMHLJIL-UHFFFAOYSA-N	309.366	1.320	50	20	DDGD	
O=C(NN=C1C(=O)Nc2cc(O)c(F)cc21)NC1CCCCC1	834922401	FSOVAQKQLMIMEU-UHFFFAOYSA-N	320.324	1.819	50	20	DDGD	
CCc1ncncc1C(=O)NNC(=O)COCc1ccccc1	737637572	FOHLBXSOANHQKS-UHFFFAOYSA-N	314.345	1.017	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1cc2c(s1)CCC2	837311111	RLZYQEQQYYVLHR-MXWKQRLJSA-N	306.387	1.565	50	20	DDGD	
COCc1cccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	831203060	PYWCPOAEGNQJEZ-GWCFXTLKSA-N	307.350	1.411	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNc1ccc2ccccc2n1	839721139	OCJLTULLENSHLO-LBPRGKRZSA-N	300.362	1.826	50	20	DDGD	
O=C(CCCn1cnc2ccccc21)NNC(=O)C1CCC1	732145490	VEFUDOUHCGVUOF-UHFFFAOYSA-N	300.362	1.764	50	20	DDGD	
CCc1ccc(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)s1	731152200	YAORLOVIXJMHDP-VIFPVBQESA-N	315.420	1.131	50	20	DDGD	
CC(C)(C)OC(=O)C1(C(=O)NN=c2cc[nH]cc2)CC=CC1	831863734	WGOMOFUZJBMNTQ-UHFFFAOYSA-N	303.362	1.625	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1)C(C)(C)C	734542905	LEJQAZPMNXMDNH-JHJVBQTASA-N	313.442	1.315	50	20	DDGD	
COc1ccc(OCCNC(=O)NNc2ccc(F)cn2)cc1	731358279	MHSLGQHNOQINFT-UHFFFAOYSA-N	320.324	1.934	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)nc1	832649891	RXHVBYVHOSRGMX-YNEHKIRRSA-N	318.377	1.228	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCC[C@@H]1CCOC1	836292159	NMLYUNKNDVXOAI-GFCCVEGCSA-N	321.377	1.456	50	20	DDGD	
Cc1ccc([C@@H]2OCCC[C@@H]2NCc2ccc(B(O)O)o2)cc1	585025930	GSYNDIZIYVZLHY-RDJZCZTQSA-N	315.178	1.278	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CC1(CNC(=O)OC(C)(C)C)CC1	910147515	SIPZXZMODCIPQC-NSHDSACASA-N	315.414	1.025	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	837497411	IIQGVRRGMNUOAK-RNJXMRFFSA-N	314.267	1.554	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H]1CCCC12OCCO2	912633251	IVTZVYLZDJKWED-WVUXNXBLSA-N	314.341	1.711	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c2[nH]ncc12	831457390	WDXYUEAODXYNQS-UWVGGRQHSA-N	317.349	1.449	50	20	DDGD	
C=C(C)CNC(=S)NNC(=O)c1cnn(-c2ccccc2)c1	915598446	DPWLDRQOHKCJLO-UHFFFAOYSA-N	315.402	1.557	50	20	DDGD	
C=C(C)CCNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	836579001	LMMRKKUKRLOCQH-ZDUSSCGKSA-N	305.334	1.123	50	20	DDGD	
O=C(COC(=O)C=C1CCCC1)NNC(=O)c1ccccc1	919597296	GYXSPLBEKRWFSZ-UHFFFAOYSA-N	302.330	1.491	50	20	DDGD	
COC(C)(C)C[C@H](C)NC(=O)NNC(=O)c1cccc(C#N)c1	743588456	XSYCBCSPLSWPPQ-NSHDSACASA-N	318.377	1.706	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cnnn1-c1ccccc1Cl	748697950	ZGPYBYRHRLUWFM-UHFFFAOYSA-N	307.741	1.338	50	20	DDGD	
CC(C)(C)c1cccc(C(=O)NNc2ccc(C(N)=O)nn2)c1	848372588	XJZRDVOSQFKFNH-UHFFFAOYSA-N	313.361	1.630	50	20	DDGD	
C[C@H]1CN(C[C@@H](C)C(=O)NN=Cc2ccccc2O)C[C@@H](C)O1	916370677	DQDHBKCCVCGTLD-MCIONIFRSA-N	319.405	1.588	50	20	DDGD	
O=C(NCC[C@@]1(O)CCCOC1)NNc1cccc(Cl)n1	846724614	HHUWVNQMQDEFST-ZDUSSCGKSA-N	314.773	1.293	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)ccc1[N+](=O)[O-]	843638911	FEOALJAGMBUMFP-ONGXEEELSA-N	307.306	1.089	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@H](C)CN2CCCCC2)cc1O	916364563	PGQJVFYLGQKLCK-CYBMUJFWSA-N	319.405	1.973	50	20	DDGD	
C[C@H](C(=O)NNc1ccnc(N(C)C)n1)c1cccc(F)c1	743484321	NFDPMKHQZOBBNG-JTQLQIEISA-N	303.341	1.929	50	20	DDGD	
O=C(CCc1nc2ccccc2o1)NNC(=O)c1cccnc1	916745783	NWJAWBBOOSLWQL-UHFFFAOYSA-N	310.313	1.617	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1cccc2cccnc12	843971101	AKYMGXAOQWEYCJ-RISCZKNCSA-N	313.357	1.350	50	20	DDGD	
COC(=O)[C@H](C)n1cccc1C=NNC(=O)[C@H]1CCO[C@@H]1C	842562752	SANKWYQGWJAAPC-LOWVWBTDSA-N	307.350	1.097	50	20	DDGD	
CN(NC(=O)Cc1nc(C2CC2)nn1C)C(=O)OC(C)(C)C	843906829	NGHJPVDDJQDETB-UHFFFAOYSA-N	309.370	1.133	50	20	DDGD	
Cc1ccsc1CCCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843663684	XZCANXMVWRHXJM-NEPJUHHUSA-N	310.419	1.952	50	20	DDGD	
C[C@H](COCC(=O)NNC(=O)NCC1CC1)c1ccccc1	845298717	DKTQVOFQLAHWEO-GFCCVEGCSA-N	305.378	1.547	50	20	DDGD	
O=C(NCCC1CCNCC1)NNc1cccc([N+](=O)[O-])c1	846209642	GQYWQIVCHQUHBO-UHFFFAOYSA-N	307.354	1.611	50	20	DDGD	
O=C(CCn1cccc1)NNC(=O)COc1ccccc1F	746094642	OBZWMQWCDULNMY-UHFFFAOYSA-N	305.309	1.244	50	20	DDGD	
CCCNCCNC(=O)NNC(=O)c1ccc2ccccc2n1	841961944	VBTKHFSWRNKCHU-UHFFFAOYSA-N	315.377	1.178	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cccc(NC(=O)c2ccco2)c1	746014333	HXBCJJPAFACJJM-UHFFFAOYSA-N	316.317	1.448	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C[C@@H](C)C(=O)c1ccccc1	843979932	QRVZXWDEXFEJGT-MBNYWOFBSA-N	318.373	1.468	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc2ccccc2c(O)n1	843973911	JJEOQEQJZITFPV-KOLCDFICSA-N	315.329	1.126	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1)c1ccn(C)n1	841613680	FMYQOGBHDGQLTL-RWMBFGLXSA-N	321.425	1.006	50	20	DDGD	
C[C@H](C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1	920379957	CTZLPNBXCYIRDM-DGCLKSJQSA-N	309.391	1.262	50	20	DDGD	
O=C(NCc1ccon1)NNC(=O)c1cc2c(s1)CCC2	747515171	XVTDJLFSABJTED-UHFFFAOYSA-N	306.347	1.369	50	20	DDGD	
COCC[C@@H](C)CNC(=O)NNC(=O)c1cccc(Cl)c1	840399738	QVPMCPHQSSCWJI-SNVBAGLBSA-N	313.785	1.957	50	20	DDGD	
COCc1csc(CNS(=O)(=O)CBr)c1	849458741	JKWYSAYRLUXDJB-UHFFFAOYSA-N	314.226	1.666	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc3c(c2)nc(O)n3C)n1	920283983	BAHNMLLGRKRHCD-UHFFFAOYSA-N	312.333	1.443	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1cccc(-n2ccnn2)c1	842562890	ZTYVUQVQYJTXTQ-IUODEOHRSA-N	313.361	1.533	50	20	DDGD	
Cc1csc(C=NNC(=O)COc2ccccc2C#N)n1	755540144	FYYZGSUMAHMNMS-UHFFFAOYSA-N	300.343	1.852	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2cc(F)ccc21)[C@@H]1CCCCO1	854683217	LZVNZMJRTHRBIT-KGLIPLIRSA-N	306.337	1.572	50	20	DDGD	
CCC(=NNC(=O)c1c(C)nc2ccccn12)c1ccn(C)n1	758075263	ZEAWUTFGSJPFIE-UHFFFAOYSA-N	310.361	1.920	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=C1CN(C2CC2)C[C@H]1C	755886136	LIXCUVIQSCQITC-KGLIPLIRSA-N	306.454	1.695	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)CCc1ccc(O)cc1)C1CC1	855098548	FJLUVDXODPCHNJ-SNVBAGLBSA-N	307.419	1.619	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C1(OC)CCCCC1	854283646	FAQQNRHBTBLBNL-UHFFFAOYSA-N	317.455	1.210	50	20	DDGD	
CCN(C)C(=O)[C@H](C)NC(=O)NNc1cc(F)ccc1F	922156842	SHAIHOGVDIPORK-QMMMGPOBSA-N	300.309	1.458	50	20	DDGD	
CO[C@@H]1COCC[C@H]1CNC(=O)NNc1ccc(F)c(F)c1	922694875	BPISNUGOWJTGEU-TVQRCGJNSA-N	315.320	1.642	50	20	DDGD	
O=C(NNc1cnccn1)c1c[nH]nc1-c1ccc2c(c1)OCO2	753433139	FFCJCTYQVAAFQN-UHFFFAOYSA-N	324.300	1.352	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)CN2CCCC2=O)C[C@H]1C	758099897	OKVRLJQMLOOEIR-YPMHNXCESA-N	323.393	1.080	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F	755172001	WDHGUZISBDUAPT-QMMMGPOBSA-N	312.301	1.578	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccc(-c2ccccc2)cc1F	755741528	XGSDTVVJXHNXEA-UHFFFAOYSA-N	303.293	1.638	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(C#N)cn1)C1CCC(O)CC1	924813399	COVYYVJEKZMSLT-UHFFFAOYSA-N	302.378	1.974	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CCCS2)cc1	750899670	CIIFGGQCJSTZAR-GFCCVEGCSA-N	322.386	1.195	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(C(F)(F)F)ccc1F	756336048	PQVLFOOOKLXODK-UHFFFAOYSA-N	309.219	1.644	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCc2c(F)cc(F)cc21	752721871	ZLOZHMSKBHQIMM-UHFFFAOYSA-N	307.300	1.354	50	20	DDGD	
O=C(COC(=O)CCc1ccoc1)NNC(=O)c1ccccc1	753493405	OPVWHTFMHQGQEI-UHFFFAOYSA-N	316.313	1.217	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)C(C)(C)C)[C@@]12CCCO2	759264478	GQHXNQFNQLOKOS-HFAKWTLXSA-N	313.398	1.090	50	20	DDGD	
C[C@H](Cn1cccn1)NC(=O)NC[C@@]1(C)C[C@@H]1Br	856824814	PAJKSQZRRYFFNR-JFGNBEQYSA-N	315.215	1.744	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(-c2ccccc2)nc1O	920858080	FLIBIAWGWKMARF-UHFFFAOYSA-N	300.318	1.418	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)NNc1ncnc2ccsc12	753356346	XTAWLCOWDGVEEF-UHFFFAOYSA-N	320.378	1.539	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1cccc2c1ccn2C	756316494	NULLNVKZIFGAOW-UHFFFAOYSA-N	311.345	1.983	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1O	854195716	KAMWZJKTASYWFH-UHFFFAOYSA-N	318.377	1.103	50	20	DDGD	
Cc1cccc(OCCCNC(=O)NNC(=O)c2cn[nH]c2)c1	858125489	IMCFJZIYORMVNG-UHFFFAOYSA-N	317.349	1.131	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CSCCS1)NC1CCCCC1	750983509	LZIKSZCWZMIWSL-JTQLQIEISA-N	303.453	1.498	50	20	DDGD	
CCn1ccnc1C=NNC(=O)c1ccc2c(c1)OCCO2	755626803	BHPZCMFKWCBRPL-UHFFFAOYSA-N	300.318	1.438	50	20	DDGD	
O=C(Cc1ccncc1)NN=Cc1ccc(N2CCCC2)nc1	758378065	JFRCERDXEUJIDD-UHFFFAOYSA-N	309.373	1.770	50	20	DDGD	
C[C@](O)(CC(=O)NNC(=O)c1cccc2ncccc12)C1CC1	755879752	XWHMJNVWQOIFDW-KRWDZBQOSA-N	313.357	1.547	50	20	DDGD	
O=C(NN=Cc1ccc(OC(F)F)c(F)c1)c1cnccn1	754706868	SPGPYDOOTDPMDP-UHFFFAOYSA-N	310.235	1.981	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2CCc3ncncc3C2)C[C@H]1Br	857385456	IGHLGCANRZFDPW-MRCXROJRSA-N	324.222	1.871	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1CCN(C2CCCCC2)C1=O	856439233	MBCAKNOVTJOJEV-GCZGRYASSA-N	305.378	1.480	50	20	DDGD	
CCOC(=O)N1CSC[C@H]1C(=O)NNc1cccc(C#N)c1	935016305	CRJJTMKMGVKWLF-LBPRGKRZSA-N	320.374	1.533	50	20	DDGD	
O=C(CCN1CCOC1=O)NNc1ccc(F)c(Cl)c1	863080032	KJICKIRENPAKRA-UHFFFAOYSA-N	301.705	1.765	50	20	DDGD	
O=C(NNC(=O)c1ccccc1OCC1CC1)c1cn[nH]c1	862474313	KFCIDBCSNQTIHO-UHFFFAOYSA-N	300.318	1.273	50	20	DDGD	
CC[C@@](C)(NC(=O)NNC(=O)c1cccnc1)C(F)(F)F	933521069	DVYDYULNMQGLDU-LLVKDONJSA-N	304.272	1.757	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)CCC2(O)CCC2)c1	864560016	UAOSHZYJSQWLFC-UHFFFAOYSA-N	305.378	1.209	50	20	DDGD	
CC(C)(Oc1ccc(C#N)cc1)C(=O)NNC(=O)NCC1CC1	765120188	ZZYDKQOUTRTTIS-UHFFFAOYSA-N	316.361	1.456	50	20	DDGD	
C[C@@H](CC(=O)NNCC(F)(F)C(F)(F)F)c1cnn(C)c1	863101678	CNZFKPZXHNNKOY-ZETCQYMHSA-N	314.258	1.732	50	20	DDGD	
CSCc1cccc(NC(=O)C(=O)NNC(=O)CC2CC2)c1	764142436	FZJAAFIYDHYEDS-UHFFFAOYSA-N	321.402	1.436	50	20	DDGD	
COC(=O)c1cc(C(=O)NNC(=O)OC(C)(C)C)ccc1C	864428530	GUYSXCSJJKCFOA-UHFFFAOYSA-N	308.334	1.951	50	20	DDGD	
C[C@H](NNC(=O)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)C(F)(F)F	862317718	LUNJUVWJUDFUEZ-IEDKKCGGSA-N	300.324	1.952	50	20	DDGD	
C[C@H]1CN(C(=O)OC(C)(C)C)CC1=NNC(=O)c1cc[nH]n1	863127270	XJESZIWJXODAJP-VIFPVBQESA-N	307.354	1.382	50	20	DDGD	
O=C(NN=C1CCN2CCC[C@@H]12)c1cc(Br)c[nH]1	765565883	RWNWHLPMFYTIAC-NSHDSACASA-N	311.183	1.731	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H](C)Cc2ccccc2C)n[nH]1	869018141	FNYGCMGQFLPFMF-LBPRGKRZSA-N	314.389	1.595	50	20	DDGD	
COC(=O)NNC(=O)CC1(NC(=O)OC(C)(C)C)CCC1	765842824	QWBULQQAOXIDRJ-UHFFFAOYSA-N	301.343	1.211	50	20	DDGD	
C[C@@H](NNC(=O)CCNC(=O)c1cccs1)C(F)(F)F	862304504	BXOISSSTASBLKE-SSDOTTSWSA-N	309.313	1.440	50	20	DDGD	
CCO[C@@H](C(=O)NNc1ccc2c(=O)[nH]ccc2c1)C1CC1	861576168	WHWWEYBJEFBIPX-CQSZACIVSA-N	301.346	1.786	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1cnn2ncccc12	765519490	YWIMOZPKOHFHHF-UHFFFAOYSA-N	322.250	1.900	50	20	DDGD	
N#CC1=CCN(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)CC1	767178736	VRVQNRWDALBJHB-UHFFFAOYSA-N	321.340	1.267	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)CNc2ccc(C)cc2)c1C	878037723	PPYYVOANVGIKIK-UHFFFAOYSA-N	315.377	1.393	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1CCCc2cn(C(C)C)nc21	875499278	LIADDHCONOGKEK-NSHDSACASA-N	309.370	1.754	50	20	DDGD	
CC(C)N1C[C@H](NC(=O)[C@H](Br)C(C)(C)C)CC1=O	767932603	DPQMLKMTCYBUOG-KOLCDFICSA-N	319.243	1.922	50	20	DDGD	
CCCNC(=O)c1ccc(NC(=O)NN(C)C(=O)OC)cc1	878376134	MXRWERAGWLUBAY-UHFFFAOYSA-N	308.338	1.561	50	20	DDGD	
CC1(C(=O)NNC(=O)c2ccc(Cl)nc2)CC(F)(F)C1	874071608	DMBLMYZLGQBUCN-UHFFFAOYSA-N	303.696	1.931	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)NCC2CC=CC2)cc1	875797734	AHVCARNRQJRCSB-UHFFFAOYSA-N	319.361	1.371	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NNC(=O)CC1CCCC1	878577028	FXFGAASETNNKJY-BMIGLBTASA-N	304.394	1.803	50	20	DDGD	
Cc1ncc(C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)c(C)n1	776314655	NGSRHPTUTZYBDG-UHFFFAOYSA-N	305.269	1.898	50	20	DDGD	
CCOC(=O)COc1ccc(/C=C(/C#N)C(N)=C(C#N)C#N)cc1	1116212569	FSKARJGPVZAWPU-QPEQYQDCSA-N	322.324	1.795	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccn(Cc2ccccc2)n1	772192154	UGYIBDCBOQXDHZ-UHFFFAOYSA-N	300.362	1.739	50	20	DDGD	
CCCNC(=O)NNC(=O)C1=C(c2ccccc2)SCCO1	874214296	YHZFQRFROBNLMH-UHFFFAOYSA-N	321.402	1.859	50	20	DDGD	
CC(C)[C@]1(C)C[C@@H]1C(=O)OCC(=O)NNC(=O)c1cccs1	775077666	OHJOKJHXLSFWKP-BMIGLBTASA-N	324.402	1.735	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)NCCc1cn[nH]c1	1117653876	ZVGAXPOSTAEAJX-UHFFFAOYSA-N	321.768	1.179	50	20	DDGD	
CC(C)(C)c1ccc(CNC(=O)NNC(=O)c2cn[nH]c2)cc1	1118803845	PLGBJHCLSMXHGQ-UHFFFAOYSA-N	315.377	1.851	50	20	DDGD	
Cn1ccc(NNC(=O)CCc2nnc(C3CCCC3)o2)n1	1116838111	VNNCIDVJXQSUCJ-UHFFFAOYSA-N	304.354	1.537	50	20	DDGD	
NC(=O)c1c[nH]c(C(=O)NNc2cncc(Br)c2)c1	1116394960	AHJPQQZHULRJQX-UHFFFAOYSA-N	324.138	1.028	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@H]2CCCc3c2cnn3C)n1	875102489	ZEXOVLBSWYQGJK-LBPRGKRZSA-N	300.366	1.827	50	20	DDGD	
COC[C@H](C)n1ccc(NC(=O)NNC(=O)CC(F)(F)F)n1	779935656	MKPUMTXNVNGDQT-ZETCQYMHSA-N	323.275	1.196	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CCc1ccccc1	771876022	SZJXRLXQQYGPDL-CYBMUJFWSA-N	320.389	1.744	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@]12CCCc1ccccc12)c1cccnn1	882057689	GRXNVZQJWNMCHC-KDOFPFPSSA-N	322.368	1.532	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1ccc(C#N)c(F)c1	776778920	YAHOWYGNTSZVQZ-NSHDSACASA-N	307.325	1.589	50	20	DDGD	
CCS(=O)(=O)N[C@@H](C)C(=O)NNc1ccc(F)cc1Cl	885136993	KWGOCJXOAYIOJI-ZETCQYMHSA-N	323.777	1.250	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2ccccn2)c(Cl)c1	784797418	FXPBTRGMSOGKCQ-UHFFFAOYSA-N	315.720	1.688	50	20	DDGD	
Cc1cc(O)cc(=O)n1CCC(=O)NNc1c(F)cccc1F	783680128	WXSHXDXLTGOXLC-UHFFFAOYSA-N	323.299	1.674	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)C(=O)Nc1ccccc1F	784870404	RBGWRQJDSHWWQW-UHFFFAOYSA-N	308.700	1.956	50	20	DDGD	
O=C(CCOC1CCOCC1)NNc1ncncc1Cl	781834423	YYLMAIPGAGROEJ-UHFFFAOYSA-N	300.746	1.159	50	20	DDGD	
O=C(NNc1c(F)cccc1F)N[C@@H]1CCCC12OCCO2	889514398	MMTURHIDNNZYQH-LLVKDONJSA-N	313.304	1.887	50	20	DDGD	
COc1cccc([C@H](C)NC(=O)NNC(=O)C2CCOCC2)c1	883165553	HGQZVPNNNBKLTB-NSHDSACASA-N	321.377	1.513	50	20	DDGD	
O=C(Cc1cnc[nH]1)NNC(=O)c1cc2c(s1)CCCCC2	899970544	VXBWFMUHYPFJQY-UHFFFAOYSA-N	318.402	1.744	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCC(=O)NCc1cccc(C#N)c1	786674802	CTUNJRVPIKZYCX-VIZOYTHASA-N	309.325	1.578	50	20	DDGD	
O=C(NNC(=S)NCCc1ccc(F)cc1)c1ccccn1	789158820	YPMPJTDQHCGQFA-UHFFFAOYSA-N	318.377	1.572	50	20	DDGD	
CC[C@](O)(CC(=O)NNC(=S)NC(C)(C)C)c1ccccc1	899998893	YAUIEQMBJPIJQS-INIZCTEOSA-N	323.462	1.968	50	20	DDGD	
Cc1nccn1CCCCNC(=O)NNc1ncncc1Cl	780999867	PIDNHRDFJDTFIB-UHFFFAOYSA-N	323.788	1.741	50	20	DDGD	
N#CCCNC(=O)NNC(=O)c1ccc(Br)s1	787363741	ODAXHDDKZVUCAM-UHFFFAOYSA-N	317.168	1.368	50	20	DDGD	
Cc1ccnc(NNC(=O)c2cc([C@H]3CCCN3C)[nH]n2)c1	896936631	WTSKJAKTVQOVFJ-CYBMUJFWSA-N	300.366	1.637	50	20	DDGD	
CC[C@H](C)CCC(=O)NNC(=O)c1nnc(O)c2ccccc12	794774430	GHDDDKACBOUIJM-JTQLQIEISA-N	316.361	1.923	50	20	DDGD	
CN(C)c1ccc(CCC(=O)NNc2nc3ccccn3n2)cc1	791242697	UGYBQWLAZANANG-UHFFFAOYSA-N	324.388	1.871	50	20	DDGD	
Cn1cncc1CCC(=O)NNC(=O)c1c[nH]c2ccccc12	792844124	UMSSVYLWIBCSHV-UHFFFAOYSA-N	311.345	1.295	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1c[nH]c(C(F)(F)F)c1	796302300	CSDSYGQJRIEEEN-LURJTMIESA-N	321.255	1.136	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)NC(=O)NNc1nc2ccccn2n1	790359031	JZIPIQWZRWXYDK-MRVPVSSYSA-N	315.337	1.721	50	20	DDGD	
O=C(Cc1ncccc1F)NNC(=O)c1cccc2ncccc12	792147140	HWWDYHREMDAYCE-UHFFFAOYSA-N	324.315	1.773	50	20	DDGD	
CNc1ccc(C(=O)NNc2oc(C(C)C)nc2C#N)cn1	795825350	SGWKIWYLRZCQII-UHFFFAOYSA-N	300.322	1.863	50	20	DDGD	
CCN1C[C@H](C(=O)NNc2ccc(Cl)c(OC)c2)CC1=O	790172438	VVGZHTBGOIKMGN-SECBINFHSA-N	311.769	1.660	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1c[nH]nc1-c1ccoc1	790041481	BDOACXRXTKEIKW-UHFFFAOYSA-N	304.697	1.870	50	20	DDGD	
COC(=O)NNC(=O)Nc1cccc(NC(=O)N(C)C)c1C	791907694	CYMMSNWSSAAVFB-UHFFFAOYSA-N	309.326	1.481	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NN=C1C(=O)OC[C@@H]1C	794937671	ZNKDMVUUILQDHV-IUCAKERBSA-N	310.737	1.772	50	20	DDGD	
COC(=O)C(=O)NN=C1CCCC[C@@H]1N1C[C@@H](C)C[C@@H](C)C1	1318984040	MLDZQBROLMRRHN-SCRDCRAPSA-N	309.410	1.552	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1n[nH]c2c1CCCC2	1317752251	QCWLRISXDMLJDU-NHCYSSNCSA-N	302.378	1.486	50	20	DDGD	
Cc1nnc(CNC(=O)NNC(=O)CCCc2ccccc2)o1	1318220602	KIEIPTMHEZVYPY-UHFFFAOYSA-N	317.349	1.231	50	20	DDGD	
COc1cc(O)ccc1C=NNC(=O)c1ccc2c(c1)OCO2	1317744877	NDVKTXNEXZCLJZ-UHFFFAOYSA-N	314.297	1.893	50	20	DDGD	
O=C(CCO)NN=Cc1ccc(Br)c(Cl)c1	1321907185	XCUJNJMOMFBYKP-UHFFFAOYSA-N	305.559	1.935	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2C)nn1C	1323337935	YXTDJEJSBGLNCT-UHFFFAOYSA-N	303.322	1.956	50	20	DDGD	
CCn1cc(C(=O)C(=O)NNc2nccnc2C(C)C)cn1	1324729145	RVQLFRCQVBLJMU-UHFFFAOYSA-N	302.338	1.142	50	20	DDGD	
COc1cnc(C(=O)NNc2ccc(C(C)(C)C)nn2)nc1	1325166189	OYYMFEZHJPJMGU-UHFFFAOYSA-N	302.338	1.330	50	20	DDGD	
Cc1cc(Cl)cc(C)c1NC(=O)NNC(=O)[C@H]1CCC(=O)N1	1328938208	YYHAJEQZJDDRFF-SNVBAGLBSA-N	324.768	1.388	50	20	DDGD	
COCc1ncsc1C(=O)NNc1nncc(N)c1Cl	1323242170	ASLDBRBVQCEYIM-UHFFFAOYSA-N	314.758	1.072	50	20	DDGD	
C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)CCl	1324706140	HTQWZGRFIATVGI-AWEZNQCLSA-N	310.825	1.975	50	20	DDGD	
COCCC1(C(=O)NNC(=O)c2ccc(OC)cc2)CCC1	1252945504	YJOLOHIRRGEOPD-UHFFFAOYSA-N	306.362	1.663	50	20	DDGD	
CCOC(=O)c1ncc(C(=O)NN[C@H](C)C(F)(F)F)s1	1331879173	QMUVWNXKCBMMON-RXMQYKEDSA-N	311.285	1.505	50	20	DDGD	
CC1=NO[C@@](C)(C(=O)NNC(=O)c2ccc3ccccc3n2)C1	1338431587	NQQKTZKIUUQQCZ-MRXNPFEDSA-N	312.329	1.551	50	20	DDGD	
O=S(=O)(CBr)N1CCC[C@@H]1C1CCOCC1	782476523	BRJUNRRIQGPCEM-SNVBAGLBSA-N	312.229	1.560	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@]1(C)CCCS1	1261452992	RNQJAXGGDZACLS-KWBADKCTSA-N	301.412	1.028	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1c(F)ccnc1Cl	1347048309	RBKKWLWTRYPXCA-NKWVEPMBSA-N	301.705	1.060	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc(OCC#N)cc1	1261459114	YRVJZWDTIVBJDL-MFKMUULPSA-N	318.333	1.167	50	20	DDGD	
O=C(NNC(=O)c1cnc(C2CC2)[nH]1)c1ccc2c(c1)OCO2	1343088390	GBGJHSDDYVBSPU-UHFFFAOYSA-N	314.301	1.091	50	20	DDGD	
COc1nc(Cl)c(C=NNC(=O)c2ccccc2O)n1C	1347621772	GTSGLWDSGNUHCL-UHFFFAOYSA-N	308.725	1.552	50	20	DDGD	
Cc1cc(CNC(=O)NNc2ccc(C(=O)O)cc2F)ncn1	1600202224	ZARSYJHYFXRMPJ-UHFFFAOYSA-N	319.296	1.449	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2c[nH]c3ncccc23)cc1	1602128887	CVACSIGXQIYTCP-UHFFFAOYSA-N	310.313	1.947	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)c1cccc(C#N)c1)CC(=O)O	1603632690	YVQJMJZBNZIYPK-UHFFFAOYSA-N	318.333	1.003	50	20	DDGD	
O=C(NNC(=O)C(=O)O)N[C@H]1CCC[C@@H](c2ccccc2)CC1	1601552743	GQNFZHUBJRDSQI-OLZOCXBDSA-N	319.361	1.518	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1cc2ccccc2o1	1606857958	HHTQPXQOPXZEJE-UHFFFAOYSA-N	321.300	1.765	50	20	DDGD	
O=C(NC[C@H]1C[C@H]1C(=O)O)NNc1c(F)cc(F)cc1F	1601528241	VFWPPBYOHPRXIL-IYSWYEEDSA-N	303.240	1.451	50	20	DDGD	
N#Cc1ccccc1/C=C/C(=O)NNc1ccc(C(=O)O)cn1	1608221548	XJRLTQWELHDMLW-SOFGYWHQSA-N	308.297	1.808	50	20	DDGD	
O=C(NC[C@H]1CCN(C2CC2)C1)NNc1cccc(C(=O)O)c1	1608433893	CZHFZDIHHUJZNG-LLVKDONJSA-N	318.377	1.495	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1nc2cnccc2s1	1605820922	LUNRUJOICCTDNK-UHFFFAOYSA-N	315.314	1.541	50	20	DDGD	
Cc1cc(=NNC(=O)NCc2ccc(C(=O)O)cc2)cc[nH]1	1605213284	CRRVBTKRYAXHEP-UHFFFAOYSA-N	300.318	1.336	50	20	DDGD	
CSSCCNC(=O)Nc1nc(CC(=O)O)cs1	1610386923	ZPRGGZLUMIXBCS-UHFFFAOYSA-N	307.422	1.903	50	20	DDGD	
O=C(CCCCc1cnn[nH]1)NNc1cccc(C(=O)O)c1	1610655645	LOPVZDMIDKGBOK-UHFFFAOYSA-N	303.322	1.359	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1ccc(Cl)cn1	1549318965	FPFWETBGHRDUOZ-JSGCOSHPSA-N	322.796	1.438	50	20	DDGD	
Cc1ccc(F)c2[nH]c(C(=O)NNC(=O)[C@@H]3CCCNC3)cc12	1579706561	QYSJOAOGLFOLGF-SNVBAGLBSA-N	318.352	1.376	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)C[C@H](N)CC(C)C	1579309915	SGNNDSJWYGJPPR-LLVKDONJSA-N	324.450	1.776	50	20	DDGD	
COC1(C(=O)NNc2c(F)cc(F)cc2F)CCNCC1	1578922280	XJVHBDUYZVKDSQ-UHFFFAOYSA-N	303.284	1.316	50	20	DDGD	
CN(N)C(=O)c1cccc2c1OCCN(C(=O)OC(C)(C)C)C2	1573882519	JDJISQVMIJXWBT-UHFFFAOYSA-N	321.377	1.762	50	20	DDGD	
C[C@H]1NCC[C@H]1C(=O)NNC(=O)c1cc2c(s1)CCCCC2	1576885305	DDYOHKRZDIXGIL-ZYHUDNBSSA-N	321.446	1.776	50	20	DDGD	
O=C(Cc1ccsc1)NNC(=O)[C@H]1CNc2ccccc21	1580576200	GRHXADCEDLCPTP-LBPRGKRZSA-N	301.371	1.647	50	20	DDGD	
N[C@H](Cc1ccccc1)C(=O)NNC(=O)c1cccc(Cl)n1	1580135359	BDPSTIXOICNEAW-LLVKDONJSA-N	318.764	1.066	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccccc1CC(=O)O	1588391156	BRBSWRQSNQCLQH-UHFFFAOYSA-N	303.318	1.270	50	20	DDGD	
NC[C@@H]1CCCc2ccc(C(=O)NNC(=O)[C@H]3CCCO3)cc21	1580264157	GDGAQFKEYQPPDJ-DZGCQCFKSA-N	317.389	1.005	50	20	DDGD	
CC1(C)CCC[C@](O)(C(=O)NNc2ncccc2C(=O)O)C1	1589224038	HRBGZPXNZCSRSB-OAHLLOKOSA-N	307.350	1.554	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	1599376173	MCBAFMLVWDGHRC-JFGNBEQYSA-N	306.318	1.404	50	20	DDGD	
COCCCOCC(=O)NNc1ccc(C(=O)O)c(Cl)c1	1599226303	MTEDVGOCBVUXAT-UHFFFAOYSA-N	316.741	1.534	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Nc1cccnc1C(=O)O	1594415668	MDAXTGAPKAXNHU-UHFFFAOYSA-N	314.301	1.555	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2ccc(C)c(C(=O)O)c2)CCC1	1598631603	FSICDEQYFYHOIF-UHFFFAOYSA-N	305.334	1.053	50	20	DDGD	
C[C@H]1CC(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)C[C@H](C)C1	1590186624	FICCIVWASSKQIW-NXEZZACHSA-N	315.381	1.777	50	20	DDGD	
CO[C@]1(C(=O)O)CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1	1599066772	YCBPFUILWDCULR-IYCSXQJISA-N	318.304	1.435	50	20	DDGD	
O=C(NNc1ccccn1)c1ccc(Cl)c(-c2nn[nH]n2)c1	1593166865	PUNFFMKOGWFWBE-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NN=Cc1cccc(F)c1C(=O)O	1776098316	HFWHWJWCXCXADX-GFCCVEGCSA-N	321.352	1.847	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)c3cnn(C)c3)cc2C1	14936667	SKHVFQRLCLSIHJ-VIFPVBQESA-N	318.402	1.681	50	20	DDGD	
CC1CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1	16483551	ZKOGCOSLDCQQBC-UHFFFAOYSA-N	320.349	1.088	50	20	DDGD	
CC(=O)Nc1ccc(CC(=O)NNC(=O)OC(C)(C)C)cc1	17398770	KXSWZTBEHUZKAL-UHFFFAOYSA-N	307.350	1.743	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(C(=O)OC)c(C)o1	17699495	OZMRRZQKIMROKD-JTTRITNRSA-N	306.318	1.433	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)CCCN2C(=O)CNC2=O)c1	158712535	VNAGZVCBUBDNJG-UHFFFAOYSA-N	304.350	1.079	50	20	DDGD	
O=C(CCOC1CCOCC1)NNc1cnc2ccccc2n1	163600184	QFKHSJBLODAITJ-UHFFFAOYSA-N	316.361	1.659	50	20	DDGD	
CCC(CC)CC(=O)NNC(=O)[C@H]1COc2ccccc2O1	164225878	JDYKPBOCQBQOGO-CQSZACIVSA-N	306.362	1.800	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1cccc(N2CCCCCC2)c1	156095147	WXIZVMIGDUQALJ-UHFFFAOYSA-N	320.393	1.602	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(=O)n(C)c2)c([N+](=O)[O-])c1	155275733	OTWZCFJNXFBYOG-UHFFFAOYSA-N	318.289	1.059	50	20	DDGD	
CCNC(=O)NNC(=O)c1nc(-c2ccccc2F)oc1C	157228724	PWNOYEWEEPLUQC-UHFFFAOYSA-N	306.297	1.753	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)C(=O)Nc1ccccc1	154156681	WQPWCMPILIQJKZ-UHFFFAOYSA-N	311.341	1.405	50	20	DDGD	
COc1ccnc(NNC(=O)C[C@@H](C)c2c(C)n[nH]c2C)n1	154226368	JHJSHHCJWFEOKD-MRVPVSSYSA-N	304.354	1.462	50	20	DDGD	
O=S(=O)(N[C@H]1CCN(C2CC2)C1)c1ccc(CCl)cc1	312337815	KEQULOUFUMDEJF-LBPRGKRZSA-N	314.838	1.940	50	20	DDGD	
CC[C@H]1CN(S(=O)(=O)c2ccc(CCl)cc2)C[C@@H]1O	399926002	WFHMHOGGZCQIBY-AAEUAGOBSA-N	303.811	1.817	50	20	DDGD	
CN(CCCCS(C)(=O)=O)NC(=O)OCc1ccccc1	859386999	LUNUBDUIJAPANR-UHFFFAOYSA-N	314.407	1.584	50	20	DDGD	
Cc1cc(C(=O)OCC(=O)NNC(=O)c2ccccc2)c(C)o1	3463978	NKTSNGODWLFAOW-UHFFFAOYSA-N	316.313	1.514	50	20	DDGD	
CNC(=O)NNC(=O)c1nn(-c2ccc(C)cc2)c2c1CCC2	56376392	DWTPXHBVWOWNHQ-UHFFFAOYSA-N	313.361	1.243	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1	103200056	VTGYKCPFUHZYPJ-LLVKDONJSA-N	309.410	1.361	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)Nc2ccc(N(C)C)cc2)on1	105511242	STRZCPXNXPGOMW-UHFFFAOYSA-N	319.390	1.680	50	20	DDGD	
C[C@@H](O)CC(C)(C)CNC(=O)NNC(=O)c1ccc(C#N)cc1	176077476	PZPWVHBORRRPGN-LLVKDONJSA-N	318.377	1.299	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1cccc(Cn2ccnc2)c1	178954760	HBLAPYAKFUSCKG-FOWTUZBSSA-N	310.357	1.992	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCCn1c(=O)oc2ccccc21	171530307	RCUKDWSWOCSAFC-ZHACJKMWSA-N	301.302	1.155	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNC(=O)Cc2ccccc2F)cn1	108996059	PCVBDUDXBPYUMR-UHFFFAOYSA-N	318.352	1.781	50	20	DDGD	
C[C@@H]1CC[C@@H](CCC(=O)NNC(=O)CNc2ccccc2)O1	175103888	HMGAQEBDEQUIBL-OCCSQVGLSA-N	305.378	1.594	50	20	DDGD	
COCCCCCNC(=O)NNC(=O)c1c[nH]c2ccccc12	69749851	UOOYJLGTJHJFPL-UHFFFAOYSA-N	318.377	1.929	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1ccc2ccccc2c1O	173951169	QLYOZTUKIRAEON-UHFFFAOYSA-N	320.312	1.969	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)c2csnn2)o1	65124676	PMRDOUDEVOMSPR-UHFFFAOYSA-N	323.378	1.048	50	20	DDGD	
CC[C@@H](OCCOc1ccc(B(O)O)cc1)c1ccccc1	403297934	SNZHTNRXEJEJIF-QGZVFWFLSA-N	300.163	1.913	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(=O)N2CCCC2)ccc1Cl	126556334	LKPRKKHPGANVAZ-UHFFFAOYSA-N	309.753	1.032	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1ccc[n+]([O-])c1	125850804	CXQDJNAMCQPNCJ-UHFFFAOYSA-N	308.681	1.639	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN(C)[C@@H](C)C(C)C)n1	30149912	KQOMLZQMQNHAPP-NSHDSACASA-N	312.439	1.118	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNc1ccc(C(F)(F)F)nn1	123791982	SAFGHRBZNGYDDV-MRVPVSSYSA-N	304.272	1.920	50	20	DDGD	
C[C@H](CCc1ccccc1)NC(=O)NNC(=O)c1ccc[nH]1	124411342	WLQSFEHOZZMEMV-GFCCVEGCSA-N	300.362	1.980	50	20	DDGD	
CN(C)C(=O)NNC(=O)Cc1nc(-c2ccc(F)cc2)cs1	184289804	SZHBWGGRERYVDN-UHFFFAOYSA-N	322.365	1.794	50	20	DDGD	
C=CCOCCCC(=O)NNc1nc(-c2ccncc2)no1	79907053	BPSDRAMWLFTONA-UHFFFAOYSA-N	303.322	1.558	50	20	DDGD	
O=C(NCc1ccc(Cl)nc1)NNC(=O)c1ccccc1O	79639180	HJEZUFDGBBMCFG-UHFFFAOYSA-N	320.736	1.585	50	20	DDGD	
O=C(NNc1ccc(Br)c(F)c1)[C@@H]1COCCO1	184278151	FYYVZZVPKRVBLC-JTQLQIEISA-N	319.130	1.447	50	20	DDGD	
Cc1ccc(O)c(C(=O)NNc2cccc(S(C)(=O)=O)c2)c1	181155436	LNBWEUJHUHFJCC-UHFFFAOYSA-N	320.370	1.861	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNC(=O)[C@@H]1CCCO1)c1ccccc1	79518221	XCSFFLSBHDBAKG-CABCVRRESA-N	319.405	1.936	50	20	DDGD	
CC[C@H](C)[C@H](C)NCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	183087989	STEZHWFCEYTSOK-QWRGUYRKSA-N	322.365	1.380	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNc1nc2ccccc2c(=O)[nH]1	183566610	ZJRMHIYDIXCIHK-SNVBAGLBSA-N	304.350	1.429	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)OCC(=O)NCC(C)C)cc1	215660238	GWMAFNKKZCKBCY-ZSOIEALJSA-N	316.357	1.918	50	20	DDGD	
CN(CCC1CC1)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	135254084	DSRIPPMQAINQAB-UHFFFAOYSA-N	320.349	1.088	50	20	DDGD	
Cc1cccc(-n2cc(C(=O)NNc3ccnc(F)c3)nn2)c1	182411258	ZTRZHUPAYDRJPI-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
CN(C)CC(=O)NNC(=O)N[C@H](c1ccccc1)C(F)(F)F	133827674	TYPIYAHUCYYMRJ-LLVKDONJSA-N	318.299	1.182	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NCC2CC2)[nH]c2c1C(=O)CCC2	139380430	DMLADTYFGVOVJO-UHFFFAOYSA-N	304.350	1.196	50	20	DDGD	
N#C/C(=C\c1cc(Br)c2c(c1)OCCO2)C(N)=O	48638516	MCPXRVJDRDIKDK-FPYGCLRLSA-N	309.119	1.613	50	20	DDGD	
CCC[C@@H](CC)NC(=O)NNC(=O)COc1ccc(C#N)cc1	195397792	XYOKANQOYJPXCS-CYBMUJFWSA-N	318.377	1.846	50	20	DDGD	
CCNC(=O)NNC(=O)COc1cccc(C(F)(F)F)c1	46705018	YLAWUNNKSUACJH-UHFFFAOYSA-N	305.256	1.435	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](C)CN2CCCCC2)o1	84417895	YMJWGCFGXCDFIP-NSHDSACASA-N	308.382	1.406	50	20	DDGD	
COc1ccc(NNC(=O)c2c[nH]nc2C2CC2)c([N+](=O)[O-])c1	190713865	ATOMQMBAQXXGBC-UHFFFAOYSA-N	317.305	1.961	50	20	DDGD	
COCCn1ccc(C(=O)NNc2cccc([N+](=O)[O-])c2)n1	190245585	MIVKXSVWIBFZRR-UHFFFAOYSA-N	305.294	1.195	50	20	DDGD	
C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NNc1cncc(Cl)n1	268116787	DXEUCXLFKBTGNQ-WCBMZHEXSA-N	310.789	1.239	50	20	DDGD	
CCSc1ccc(CC(=O)NNC(=O)c2cnn(C)c2)cc1	269853460	JHQMIDOXZVFICW-UHFFFAOYSA-N	318.402	1.536	50	20	DDGD	
COCCN(CCOC)C(=O)c1c(C)nn(CCCl)c1C	265011491	GVMKMMLMJRMEPW-UHFFFAOYSA-N	317.817	1.474	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNC(=O)c1ccccc1OC	264591580	GVWAFYFXRJOIIE-UHFFFAOYSA-N	321.377	1.153	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H](C)Cn2cccn2)cccc1[N+](=O)[O-]	263990647	VKUKLYCHWNNBHZ-JTQLQIEISA-N	318.337	1.815	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)CSc2ccccc2O)O1	270721358	RHGXJNSNTWILLY-PWSUYJOCSA-N	324.402	1.589	50	20	DDGD	
C[C@@H](NC(=O)NNc1nc2ccccn2n1)C1=CCN(C)CC1	276787095	INBNLJPMANGWGK-LLVKDONJSA-N	315.381	1.006	50	20	DDGD	
O=C(NNC(=O)[C@@]1(O)CCSC1)c1cccc2ccccc12	271041900	ZYOHGFZEJKMQAF-MRXNPFEDSA-N	316.382	1.469	50	20	DDGD	
CCc1c(C(=O)NNC(=O)NC)cnn1-c1ccccc1OC	274403376	HFTZDZHFNFVNDW-UHFFFAOYSA-N	317.349	1.017	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)OC(C)(C)C)ccc1C(N)=O	274208981	PZFUQGRUTCXMAA-UHFFFAOYSA-N	308.338	1.655	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C	371102887	YDTGHXULIXXFGO-AXFHLTTASA-N	313.398	1.929	50	20	DDGD	
CC1=C(C(=O)NNC(=O)COCc2ccccc2)SCCO1	287642978	NVVMEZNQUTTYCR-UHFFFAOYSA-N	322.386	1.346	50	20	DDGD	
COC[C@@H]1CN(C(=O)[C@H](Br)C(C)(C)C)CCO1	378591996	QVGQFCOLNPVNLY-UWVGGRQHSA-N	308.216	1.670	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1C(=O)NNC(=O)Cn1nc(C)cc1C	280308139	QBXPUNNTMZCKNP-ZIAGYGMSSA-N	306.410	1.864	50	20	DDGD	
CCn1cc(CNC(=O)NNc2cccc([N+](=O)[O-])c2C)cn1	288098914	IOBSJTHYFKJXJY-UHFFFAOYSA-N	318.337	1.946	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@H]1CCc2nccn2C1	376439569	CSZJLXZHBYCSBV-LBPRGKRZSA-N	312.377	1.646	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1cc(C2CC2)no1	281786707	BUYKBYFUQARKKR-UHFFFAOYSA-N	300.318	1.425	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCc1c[nH]cn1)c1ccccc1	280630593	XHOIFDUZQGQKIC-AWEZNQCLSA-N	300.362	1.684	50	20	DDGD	
C=CC[C@H](CC)NC(=O)NNC(=O)COc1ccc(C#N)cc1	281234849	FAZYDDXZEDOYFL-ZDUSSCGKSA-N	316.361	1.622	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1nc(-c2ccccc2)no1	298076595	LKQOJRIDFNBJDU-UHFFFAOYSA-N	303.322	1.935	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C(C)(F)F)ccc1OC(C)C	292688125	PLZSHWAIEDJKHY-UHFFFAOYSA-N	316.304	1.899	50	20	DDGD	
C=C(CBr)COC(=O)c1cncc(-n2ccnn2)c1	801885911	VILSDBCJDCYCRG-UHFFFAOYSA-N	323.150	1.770	50	20	DDGD	
CSCC[C@H](O)C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	296734142	BCEZXDSEFCDNLK-JTQLQIEISA-N	319.770	1.805	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@H]2COc3ccccc32)O1	297253352	OOKXMDLRYKPXHV-GAFUQQFSSA-N	305.334	1.018	50	20	DDGD	
COCC(=O)NN=C1C(=O)Nc2cccc(C(F)(F)F)c21	800814298	SPQMGJWNPDIBDR-UHFFFAOYSA-N	301.224	1.124	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NCC(Cl)Cl	297151009	ROQGAUSEHXBNPS-LDYMZIIASA-N	306.193	1.808	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc2nccnc2c1Br	806674968	TWJYCJOBLKGBRT-UHFFFAOYSA-N	324.138	1.565	50	20	DDGD	
CCn1cc(CC(=O)NNC(=O)Nc2ccc(Cl)cc2)cn1	802016930	RPCCWJYCJZGACY-UHFFFAOYSA-N	321.768	1.952	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H]1CCC[C@@H](C(N)=O)C1	805375559	PRKPKHQQCCONAZ-MNOVXSKESA-N	320.349	1.638	50	20	DDGD	
Cc1cc(C)c(S(=O)(=O)NNC(=O)[C@H]2CCCCO2)s1	296874278	ZZAUHXWGOCRJNG-SNVBAGLBSA-N	318.420	1.244	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)[C@@H](F)C(F)(F)F)c1	290503875	SQJXYFRWRGNGNM-MRVPVSSYSA-N	314.260	1.434	50	20	DDGD	
COCc1ccccc1C(=O)NNC(=O)N=c1cc[nH]cc1	802036174	RGHWXWXEJSKJFB-UHFFFAOYSA-N	300.318	1.116	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCOc1ccc(C)c(C)c1	298307984	IRBIZKCWZUWRLW-UHFFFAOYSA-N	307.419	1.754	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2cccc(F)n2)cc1C	807391751	IVHFBXWUCQUVLL-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
CN1C(=O)CC[C@@H]1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	806497601	MVOXBRQYRMIATJ-SECBINFHSA-N	312.713	1.312	50	20	DDGD	
COCCOCc1ccc(C=NNC(=O)N2CCOCC2)cc1	807966010	OVGGVYSOXIPJSW-UHFFFAOYSA-N	321.377	1.225	50	20	DDGD	
CSSCCNC(=O)c1ccn(CCn2cccn2)n1	296079912	PWQZPBBAROIPHA-UHFFFAOYSA-N	311.436	1.521	50	20	DDGD	
COc1nccc(NC(=O)NNc2ccccc2[N+](=O)[O-])n1	801725354	OGLBLMZSQFRPNM-UHFFFAOYSA-N	304.266	1.542	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCN1CCSC[C@@H]1C(N)=O	808741986	WKJDGUNUNVZFBG-LLVKDONJSA-N	304.532	1.911	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNc1ccc([N+](=O)[O-])cc1C	291044599	ZKKQPSONTQPYFP-SECBINFHSA-N	309.322	1.936	50	20	DDGD	
CON1CCC(NC(=O)NNc2cc(F)c(F)cc2F)CC1	817805060	ILIXOJGPOOZDLM-UHFFFAOYSA-N	318.299	1.756	50	20	DDGD	
CC(=O)C1(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CC1	815600634	ZMZIHIOTGLAJME-UHFFFAOYSA-N	312.329	1.003	50	20	DDGD	
O=C(CCc1nnc(-c2ccsc2)o1)NNC(=O)CC1CC1	819132046	XJKCWKABLGZRQP-UHFFFAOYSA-N	320.374	1.678	50	20	DDGD	
Cn1c(NNC(=O)CCCC2CC2)nc2ccccc2c1=O	812508435	AEGVZKAQWBEZPK-UHFFFAOYSA-N	300.362	1.957	50	20	DDGD	
CN(NC(=O)CCCNC(=O)c1ccc(F)cc1F)C1CC1	819642726	NIXALSIMHMSMDQ-UHFFFAOYSA-N	311.332	1.600	50	20	DDGD	
COc1ccc(NC(=O)NN=Cc2c(C)nn(C)c2N)cc1	814999192	PAHVOJPHHRAGSS-UHFFFAOYSA-N	302.338	1.475	50	20	DDGD	
Cn1c(NNC(=O)CNC(=O)c2ccccc2)nc2ccccc21	816577599	RVNAZRPYNUAGKY-UHFFFAOYSA-N	323.356	1.446	50	20	DDGD	
Cn1nncc1NNC(=O)CCCOc1ccccc1Cl	816770172	MEWWPPGNBVEWLW-UHFFFAOYSA-N	309.757	1.771	50	20	DDGD	
CC(Cc1cccs1)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	729637782	UPSNGVVTOAZXKH-SNVBAGLBSA-N	315.420	1.153	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cc(F)ccc1Cl	814313894	PHVSBEBHDGPETL-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1ccc(-n2cncn2)c(F)c1	728786505	KATSYDSEVQVPAX-UHFFFAOYSA-N	324.319	1.494	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1ccccc1C(=O)OC)C(C)C	494435145	OQSAFQIZDUWWQX-LBPRGKRZSA-N	323.349	1.297	50	20	DDGD	
CCCN(CCN1CCCC1)C(=O)/C(C#N)=C\c1cnn(C)c1	491045319	DUHSEBCJVJQLFD-WJDWOHSUSA-N	315.421	1.661	50	20	DDGD	
Cc1ccncc1/C=C\C(=O)NNC(=O)Cc1ccccc1F	492541267	SQYUKLJDLSNDHA-SREVYHEPSA-N	313.332	1.932	50	20	DDGD	
COC(=O)N(C)CC(=O)NNc1ccc(-c2ccccc2)nn1	496180504	WAZDSKAWWCTYSF-UHFFFAOYSA-N	315.333	1.285	50	20	DDGD	
CC(C)c1nccn1CC(=O)NNC(=O)OCC(F)(F)F	824619057	CVPUOUYUHOZFAM-UHFFFAOYSA-N	308.260	1.326	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCC1Cc2ccccc2C1	826030960	YLHBHYKVXKADEW-IAQYHMDHSA-N	317.389	1.157	50	20	DDGD	
CC(C)C1CCC(=NNC(=O)[C@@H]2CCS(=O)(=O)C2)CC1	729635442	UGESPQVNPHWREO-PIJUOVFKSA-N	300.424	1.740	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H]2CCC[C@H](OC)C2)n1	826971440	XVFLUKPFMMMLDU-OLZOCXBDSA-N	321.425	1.971	50	20	DDGD	
C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CC(C)(C)c2ccccc21	728433433	HUBQZDOGCLGBQK-SNVBAGLBSA-N	323.418	1.126	50	20	DDGD	
C[C@@H]1Cc2cc(C=NNC(=O)CN3CCCC3=O)ccc2O1	901154769	USDPLPYWHRRZSK-LLVKDONJSA-N	301.346	1.083	50	20	DDGD	
O=C(NC[C@@H]1CCC[C@H]1c1ccccc1)c1cccc(B(O)O)c1	584995774	REVYMLGXNBXYMM-WMZOPIPTSA-N	323.201	1.680	50	20	DDGD	
Cc1nc(Cc2ccccc2)sc1C(=O)NN(C)[C@@H](C)CO	823971781	ZIAVPTOLWMQWIU-NSHDSACASA-N	319.430	2.000	50	20	DDGD	
CON1CCC(=NNC(=O)CCNC(=O)OC(C)(C)C)CC1	496026674	OKYSHPVGQCMQGT-UHFFFAOYSA-N	314.386	1.031	50	20	DDGD	
CCn1ncc(C)c1NC(=O)NNC(=O)c1ccccc1C	825155257	AQDHKBIWVDNZEF-UHFFFAOYSA-N	301.350	1.986	50	20	DDGD	
CCc1ccc(CC(=O)NNc2nc(C)cc(OC)n2)nc1	829482859	UFPJABJLGNKUAG-UHFFFAOYSA-N	301.350	1.437	50	20	DDGD	
CCOC(=O)N1CSC[C@@H]1C(=O)NN[C@H](C)C(F)(F)F	826943149	VCLMIJNDHWGJTB-RNFRBKRXSA-N	315.317	1.089	50	20	DDGD	
CCCN(CC(=O)NNC(=O)C1CC1)[C@H]1CCc2ccccc21	733194599	CFFXUCYWQACCQG-INIZCTEOSA-N	315.417	1.943	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H]2COC[C@@H]2OC)cc1	491175308	KVXCQIYMIRHZHS-UVIRXAIJSA-N	316.357	1.522	50	20	DDGD	
COc1ccc(C)cc1CNC(=O)NNC(=O)[C@@H]1CCCCO1	836208806	NYHXPCIAVUJMSN-AWEZNQCLSA-N	321.377	1.403	50	20	DDGD	
Cc1cnnn1-c1ccc(NC(=O)NNC(=O)C(C)(C)C)cc1	831993210	PSGNSEGFEKXDHV-UHFFFAOYSA-N	316.365	1.775	50	20	DDGD	
CCc1ccc(C(=O)O)cc1S(=O)(=O)N1CC=C(C#N)CC1	906925578	NUTWPUPESQKUED-UHFFFAOYSA-N	320.370	1.792	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)NCC(F)(F)F)C[C@H]1Br	907967342	MBDORLMNDJYYOF-FBCQKBJTSA-N	318.093	1.053	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)c1	737386734	ZPQGBWYOMXBWAL-UHFFFAOYSA-N	322.328	1.250	50	20	DDGD	
C[C@@H](C=NNC(=O)C(F)F)c1ccc(S(C)(=O)=O)cc1	834974244	WQLORJFXBOJTLE-QMMMGPOBSA-N	304.318	1.561	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCCC[C@@H]1CC1CCC1	585008794	MGJUZQOXLFQXBM-CQSZACIVSA-N	319.185	1.690	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H](C)OCC2CC2)c(F)c1	837208838	BKQULKOFKRSJJP-SECBINFHSA-N	310.325	1.871	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1cccc(F)c1Br	834973051	SHQLIUGBJJAKEM-UHFFFAOYSA-N	303.131	1.809	50	20	DDGD	
CCC1CCC(N(C)C(=O)c2cc(B(O)O)ccc2F)CC1	584928353	PZTLDSLCTGVHFG-UHFFFAOYSA-N	307.174	1.546	50	20	DDGD	
CCN(C)c1ccccc1CNC(=O)NNC(=O)C1CCC1	732464091	ZESQJZZYHIMPTE-UHFFFAOYSA-N	304.394	1.773	50	20	DDGD	
Cc1ccc(C)c(OCCCCC(=O)N2CC[C@@H](B(O)O)C2)c1	585075820	JGAFWLCZJKKPRR-OAHLLOKOSA-N	319.210	1.928	50	20	DDGD	
C=COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)CC)cc1	839512498	MJRVZUVQOVBYQS-JTQLQIEISA-N	305.334	1.341	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@H](N2CCCCC2)C1	732202121	VCBVFMYZPLUJLS-CABCVRRESA-N	324.469	1.129	50	20	DDGD	
CC[C@@H](C(=O)NNc1cccnn1)N(C)C(=O)OC(C)(C)C	832045301	YPBNSYDDKKRYJW-JTQLQIEISA-N	309.370	1.565	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc2c(c1)CCC=C2	833243963	YYRYIOZMXAZTCG-HNNXBMFYSA-N	300.358	1.976	50	20	DDGD	
CN(C)CCCCC(=O)NNc1cc(O)nc2ncccc12	913992864	KCRHDVOBHAPKTR-UHFFFAOYSA-N	303.366	1.510	50	20	DDGD	
COc1ccc(SCCCC(=O)NN(C)C[C@H](C)O)cc1	910161523	UXKJOHPNUGGJOJ-LBPRGKRZSA-N	312.435	1.911	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H](C)CN2CCCCC2)ccc1O	916364496	NPHPQZUECDWTEE-CYBMUJFWSA-N	319.405	1.973	50	20	DDGD	
COC[C@]1(C)CCN(C(=O)NNC(=O)c2cccc(C#N)c2)C1	836276651	NLRCGXAUJSTDMQ-MRXNPFEDSA-N	316.361	1.271	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NOCCSC)cc1F	838575070	QXPBNYCQXKDXCQ-UHFFFAOYSA-N	317.342	1.533	50	20	DDGD	
Cc1ccc(NNC(=O)C[C@H]2SC(=N)NC2=O)c(Cl)c1	836936664	PAINPIIKTRBTED-SECBINFHSA-N	312.782	1.648	50	20	DDGD	
COC(=O)[C@@H](C)[C@@H](NS(=O)(=O)CCl)c1ccccc1	830767637	AZWDBKTVFIHPBS-GXSJLCMTSA-N	305.783	1.653	50	20	DDGD	
Cc1c(Cl)cccc1OCC(=O)NNC(=O)c1ccccn1	736064919	WHBRIPUWWMDYPL-UHFFFAOYSA-N	319.748	1.883	50	20	DDGD	
Cc1cc(F)ccc1[C@H]1CCCN1CC(=O)NNC(=O)C1CC1	832523052	DXGJRSGZBQNQLI-OAHLLOKOSA-N	319.380	1.828	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H]2CC[C@H](C(=O)O)C2)cc1	831072146	LGUBJFLWPCCFJD-QWHCGFSZSA-N	319.361	1.446	50	20	DDGD	
CC(=NNC(=O)c1ccc(-n2cnnn2)cc1)c1ccccc1O	916351223	BTHHEEDMKCVLKV-UHFFFAOYSA-N	322.328	1.522	50	20	DDGD	
O=C1NCC[C@H]1C(=O)NNc1ccc(F)cc1Br	830772147	ZSWFSLKHSFXNCQ-SSDOTTSWSA-N	316.130	1.167	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1ccccc1C(F)(F)F	833384701	MBHBMHXFJYTHHI-UHFFFAOYSA-N	303.240	1.813	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1)c1cccnc1	916370296	BHDBTSNVTFZYJS-MELADBBJSA-N	318.421	1.667	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCCC(C)(C)C2)c1	744399331	JRQIDKBBZMILBG-UHFFFAOYSA-N	303.406	1.878	50	20	DDGD	
C[C@@H]1CN(CCC(=O)NNC(=O)[C@H](C)c2ccco2)C[C@@H](C)O1	743291667	QZKBZUFENHCFMX-JHJVBQTASA-N	323.393	1.030	50	20	DDGD	
Cc1nnn(NC(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)c1C	914020744	NLNZZGAIKFHMGH-HOSYDEDBSA-N	313.199	1.919	50	20	DDGD	
O=C(C=C1CCCC1)NNC(=O)[C@H]1COc2ccccc2O1	917537326	GUHSJNIYMGXCLX-CQSZACIVSA-N	302.330	1.474	50	20	DDGD	
CSCC[C@H](N)CC(=O)NNc1ncnc2ccsc12	912381503	JZODMKWXQNZNLE-QMMMGPOBSA-N	311.436	1.605	50	20	DDGD	
COc1ccc(CCNC(=O)NNC(=O)CC(F)(F)F)cc1	918056403	ZZXGREKZVONOEP-UHFFFAOYSA-N	319.283	1.521	50	20	DDGD	
CCN(CC)C(=O)Cn1ccc2cc(NC(=O)NN)ccc21	841107301	FGLHXFRMNYPNBZ-UHFFFAOYSA-N	303.366	1.505	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)N(C)C)c1	746115371	SDDQOCUSLFGOBK-JYVXZMADSA-N	302.330	1.622	50	20	DDGD	
C[C@H]1CCCN([C@@H](C)CNC(=O)NNC(=O)CC(F)(F)F)C1	918065207	PWCYVYIRPZKSIX-UWVGGRQHSA-N	324.347	1.390	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H]1CCO[C@H](c2ccccc2)O1	848144498	VYTMWDQTNCUARI-BBRMVZONSA-N	304.346	1.438	50	20	DDGD	
Cc1cc(F)c(CC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1F	843662233	RYQAVKDDUINFIK-GXSJLCMTSA-N	312.316	1.388	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@@H]1CCN(CC(F)(F)F)C1	747307692	CUUWVPHSESBMEI-SNVBAGLBSA-N	322.331	1.144	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1ccc(O)c(F)c1	740762875	MHMQWEICDPCGRJ-UHFFFAOYSA-N	309.341	1.676	50	20	DDGD	
C[C@H](COCC1CC1)NC(=O)NNC(=O)c1ccc(C#N)cc1	845583622	PVJVYMCCLSXQJB-LLVKDONJSA-N	316.361	1.317	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1ccccc1Br	847599549	IEVBWGBCWQVTGH-HTQZYQBOSA-N	312.167	1.404	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1c[nH]c2ncccc12	741279411	SFOLNKQWKLGTCW-UHFFFAOYSA-N	324.340	1.575	50	20	DDGD	
N[C@@H]1CCC[C@@H](NC(=O)NNC(=O)CCOc2ccccc2)C1	841982127	PNACQNGGCVPAPK-CHWSQXEVSA-N	320.393	1.056	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H]2CCCCN2)c1F	841922642	QIKBUGFQELLSMU-SNVBAGLBSA-N	324.356	1.381	50	20	DDGD	
O=C(NNc1ncccn1)c1cnnn1-c1ccccc1Cl	745493415	RHZVFUXGJHNNHW-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
CSCc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	843647109	NACNCNDXOADMAB-MFKMUULPSA-N	308.403	1.736	50	20	DDGD	
C=CCN1C(=O)C(=NNC(=O)[C@H]2CCO[C@@H]2C)c2ccccc21	842553265	DRVJPJIUKMTTDC-NEPJUHHUSA-N	313.357	1.465	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1c(F)c(F)cc(F)c1F	843655403	VEDOPKGGHLRKCR-WDSKDSINSA-N	320.242	1.429	50	20	DDGD	
C[C@@H]1CCCc2ncc(C(=O)NNc3nc4ccccn4n3)n21	846003759	NEOQFHQJAWLSLD-SNVBAGLBSA-N	311.349	1.580	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@@H]1CCN(C2CCCCC2)C1	748846513	QMIJWOMPDBNTQA-SNVBAGLBSA-N	321.343	1.741	50	20	DDGD	
CCO[C@@H](C)c1ncc(C(=O)NNC(=O)c2cccn2C)s1	742490693	YTFZLEDQASPZJF-VIFPVBQESA-N	322.390	1.654	50	20	DDGD	
CC[C@](C)(O)C(=O)NNC(=O)Cc1cccc2ccccc12	929614328	PSDXOICPZWINRD-KRWDZBQOSA-N	300.358	1.691	50	20	DDGD	
CCOC(=O)NNC(=O)CC1(NC(=O)OC(C)(C)C)CCC1	746816996	ZVUXBYIUHBWWEJ-UHFFFAOYSA-N	315.370	1.601	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCCCNC(C)C)c1	841933668	HEZAKPWKHNTPSO-UHFFFAOYSA-N	322.409	1.092	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@@H]1CCc2ccccc2C1	844414893	JDTXVVYXTUBNSX-MRXNPFEDSA-N	309.369	1.577	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(C)c1	843645043	QGLXRLBQRJFNCO-ZIAGYGMSSA-N	320.389	1.645	50	20	DDGD	
CC1(C)CC(=NNC(=O)c2nnc(O)c3ccccc23)CO1	841610332	LWEHNXVIKZLZHX-UHFFFAOYSA-N	300.318	1.620	50	20	DDGD	
COC(=O)c1coc(C=NNC(=O)Cn2nc(C)cc2C)c1	758089205	QBDHQJZNMXGEBY-UHFFFAOYSA-N	304.306	1.030	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@H]1CCC[C@H]1Cc1ccccc1	755073166	YFJZOPUMYLDOPH-BPUTZDHNSA-N	317.433	1.933	50	20	DDGD	
O=C(NCCn1cccc1)NNC(=O)c1ccc(Cl)cc1F	753049441	LNPGJPUVEWTTJV-UHFFFAOYSA-N	324.743	1.925	50	20	DDGD	
CNC(=O)Cc1ccc(NC(=O)NNC(=O)C2CCCC2)cc1	755659513	VYBIJFMKGWMJML-UHFFFAOYSA-N	318.377	1.318	50	20	DDGD	
O=C(Cc1c(F)cccc1F)NNc1ncccc1[N+](=O)[O-]	759294618	WDXQAQGPQRFPNC-UHFFFAOYSA-N	308.244	1.954	50	20	DDGD	
CCn1cnc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c1	854196379	XOGWVPWKEBNJAV-UHFFFAOYSA-N	316.405	1.880	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H](O)CN1C[C@H](CBr)C1CC1	859135065	UOVBZTUWORIXJM-AXFHLTTASA-N	306.200	1.016	50	20	DDGD	
COC(=O)[C@H](NNC(C)=O)c1ccccc1Br	853074950	HXUVPTGWJPXUMM-SNVBAGLBSA-N	301.140	1.304	50	20	DDGD	
COc1cccc(OC)c1CNC(=O)NNC(=O)C1CCC1	852491233	YSVSASUFXMHQML-UHFFFAOYSA-N	307.350	1.334	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC12CCC2)c1cnn(-c2ccccc2)c1	759791088	PZCMEAAZRBXRQG-AWEZNQCLSA-N	310.357	1.824	50	20	DDGD	
O=C(NN=Cc1cnc(N2CCOCC2)s1)c1ccccn1	755462880	VSFGGRMMEACXIW-UHFFFAOYSA-N	317.374	1.139	50	20	DDGD	
O=C(NN=Cc1nccc2ccccc12)C(=O)Nc1ccccn1	758381082	PAYFEVIOAZGQSH-UHFFFAOYSA-N	319.324	1.719	50	20	DDGD	
C[C@@H](CCCc1cccnc1)NC(=O)NNC(=O)c1cn[nH]c1	858533330	RVAJUQMVALRTLP-NSHDSACASA-N	316.365	1.160	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1cnn(C2CCCC2)c1	925863733	DCKKYEWAVOSHOG-CYBMUJFWSA-N	321.381	1.720	50	20	DDGD	
CC(C)C=NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1	755551728	LSDWFRSVPMIFIU-UHFFFAOYSA-N	303.771	1.359	50	20	DDGD	
CCN(CC)S(=O)(=O)CC(=O)NNc1cc(F)ccc1C	855366370	CZZROYAOIXXAKS-UHFFFAOYSA-N	317.386	1.249	50	20	DDGD	
CCN(CC)[C@@H](CNC(=O)NNC(=O)c1cn[nH]c1)CC(C)C	858276051	PUXJKTYTCFILFM-CYBMUJFWSA-N	324.429	1.110	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CCO[C@H](CF)C2)c1	858707036	HVVOCDBUWVMQPP-SECBINFHSA-N	301.343	1.081	50	20	DDGD	
O=C(NN=Cc1ccc2occc2c1)[C@@H]1CN2CCC[C@@H]2CO1	853389972	GHTQQZKTSWLYRD-ZBFHGGJFSA-N	313.357	1.746	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNC(=O)COc1ccccc1F	858129452	JRIZWGLTRAFHBP-CYBMUJFWSA-N	312.341	1.557	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)c1cccc(O)c1	750948479	SKBYMLROOHXTMG-UHFFFAOYSA-N	317.370	1.724	50	20	DDGD	
Cn1ncc(CCCNC(=O)NNc2ccc(Cl)cn2)n1	852357983	RWZSISYUKPJQPW-UHFFFAOYSA-N	309.761	1.122	50	20	DDGD	
CC(=NNC(=O)C(=O)NC(C)C)c1ccc2c(c1)CCCO2	853282808	RSCIAVRCDYXRNV-UHFFFAOYSA-N	303.362	1.376	50	20	DDGD	
Cc1cccc2c1O[C@@H](C(=O)NNC(=S)NCC1CCC1)C2	855093009	WGWZNSHWIWHBNF-CYBMUJFWSA-N	319.430	1.594	50	20	DDGD	
Cc1c(S(=O)(=O)NC[C@@]2(C)C[C@@H]2Br)cnn1C	856753860	YYRCRQBLJJHLHT-VHSXEESVSA-N	322.228	1.180	50	20	DDGD	
O=C(NCCc1cccs1)NN=C1CCCn2nccc21	853295932	VWWDFAMSEYGOIR-UHFFFAOYSA-N	303.391	1.984	50	20	DDGD	
CCN(C)c1ccccc1CNC(=O)NNC(=O)c1cn[nH]c1	858704154	FFJWNGNHHIBBTA-UHFFFAOYSA-N	316.365	1.010	50	20	DDGD	
N#CCN1CCC(NC(=O)NNc2ccc(Cl)cn2)CC1	852074783	GYTBURYYNBYLJF-UHFFFAOYSA-N	308.773	1.349	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NN=Cc2cncn2C)n[nH]1	755791912	URGRLLHQZLWTMV-UHFFFAOYSA-N	324.344	1.583	50	20	DDGD	
CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)NNC(=O)c1cn[nH]c1	858230958	KHHOJOWDKWKOGT-ZYHUDNBSSA-N	323.397	1.195	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)NCC1C2CC3CC(C2)CC1C3	931824723	TXWZYKNGHKVMDN-GFSREQAASA-N	307.438	1.594	50	20	DDGD	
C[C@]1(CNC(=O)NCCn2cccc2)C[C@@H]1Br	856838869	FBIMZJMZJRQEHI-CMPLNLGQSA-N	300.200	1.961	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(SC(F)F)cc1	755326791	ZUCSIDYEQJAOLK-UHFFFAOYSA-N	305.306	1.800	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccc(C)o2)cc([N+](=O)[O-])c1O	752175312	SQBFXIGXKXNBFZ-UHFFFAOYSA-N	319.273	1.974	50	20	DDGD	
CC(CN1Cc2ccccc2C1=O)=NNC(=O)Cc1ccncc1	754951955	YSUYDIRXODAWCR-UHFFFAOYSA-N	322.368	1.772	50	20	DDGD	
CCOC(=O)[C@H](Cc1ccc(F)cc1)NNC(=O)CC1CC1	863374339	NJCFQGPKHPNRCS-AWEZNQCLSA-N	308.353	1.721	50	20	DDGD	
C=CCCn1cc(CNS(=O)(=O)CCCCCl)nn1	867597388	XZMUYYRPQWDGIJ-UHFFFAOYSA-N	306.819	1.293	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1	866776223	DUZRNSORMHDPSG-LBPRGKRZSA-N	319.858	1.253	50	20	DDGD	
CCC(=NNC(=O)CS(C)(=O)=O)c1c(F)cccc1Cl	863187253	DTUIUSYKZHEKLF-UHFFFAOYSA-N	320.773	1.754	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)n[nH]1	869013057	KGJBORFHZCDFRJ-JTQLQIEISA-N	320.324	1.015	50	20	DDGD	
COC/C=C/C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	867852216	DIYOQJSFNVVKEY-LJJSCBMDSA-N	312.753	1.457	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)Cc2ccccc2F)c1C	865634480	AUGFIMLSEQNYPM-UHFFFAOYSA-N	304.325	1.354	50	20	DDGD	
CC[C@H](SC)C(=O)OCC(=O)NNC(=O)c1cccs1	767670935	NVLPSQXUUYABEU-QMMMGPOBSA-N	316.404	1.194	50	20	DDGD	
Cc1cccc([C@@H](C)C(=O)NNC(=O)Cc2cc(C)[nH]n2)c1	869014578	UOLCVFFKANULGD-GFCCVEGCSA-N	300.362	1.520	50	20	DDGD	
CCN(CC)CCSCC(=O)NN[C@@H](C)C(F)(F)F	862314220	XXTBETXVUIHMQG-VIFPVBQESA-N	301.378	1.633	50	20	DDGD	
CCCn1cc(C(=O)NNc2ccc(C(F)(F)F)nn2)nn1	767098968	LNDHGHOIQYFTIH-UHFFFAOYSA-N	315.259	1.254	50	20	DDGD	
CC(=O)NNC(=O)Nc1cnc(N2CCCC[C@H]2C)c(C)c1	765254865	RODWCIKTEQTZCF-LLVKDONJSA-N	305.382	1.941	50	20	DDGD	
Cn1c(C(=O)NNC(=O)NC2CCCCC2)ccc1[N+](=O)[O-]	761676323	VIVAVRCBEXPFHL-UHFFFAOYSA-N	309.326	1.210	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)Nc2cnn(CCF)c2)n1	861480066	YBEBPTFGFJHJAL-UHFFFAOYSA-N	313.724	1.753	50	20	DDGD	
COCCOCC(=O)NNC(=O)/C(C)=C/c1ccc(C)cc1	869907557	OCVPSKCKTFEBKL-JLHYYAGUSA-N	306.362	1.209	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cccc2c1OCC2	861849384	ZKRSZNVUXRJKFJ-UHFFFAOYSA-N	312.416	1.687	50	20	DDGD	
O=C(NN=C[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(-n2cnnn2)cc1	762418630	QRNDEDMCMYIKDI-FPMFFAJLSA-N	310.361	1.814	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2cn3cc(Cl)ccc3n2)n[nH]1	764794656	DHIZSUVMCRNVNI-UHFFFAOYSA-N	302.725	1.783	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@@H](C)CC2(C)OCCO2)nc1	868858104	AQMWPCMJCMADKY-NSHDSACASA-N	324.381	1.506	50	20	DDGD	
O=C(NNc1ncccn1)c1c(C(F)F)nc2n1CCCC2	864768782	KYEUOJIJSJGJTB-UHFFFAOYSA-N	308.292	1.704	50	20	DDGD	
COC(=O)Cc1occ(C)c1C(=O)NN[C@H](C)C(F)(F)F	862319665	JONPJACQYSCADT-SSDOTTSWSA-N	308.256	1.489	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccccc1C(=O)N(CC)CC	769976984	JWVRLMYWUOSOJL-UHFFFAOYSA-N	322.365	1.951	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H](C)c1ccc[nH]1	760315667	PPODCJUVNAZUTG-SNVBAGLBSA-N	302.334	1.729	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](C)c1cccc(NC(C)=O)c1	875055497	YGDXDQCXCOOJSO-VIFPVBQESA-N	308.338	1.618	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)C2CSC2)cc1	874954312	VFVSKPVXRODUNL-UHFFFAOYSA-N	310.448	1.433	50	20	DDGD	
CCc1cnccc1[C@@H](C)NC(=O)NNC(=O)c1ccc[nH]1	774330528	OUJZWVFVILBZKR-SNVBAGLBSA-N	301.350	1.677	50	20	DDGD	
CC[C@]1(C(=O)NNc2cccc(C(F)(F)F)n2)CCNC1=O	878923061	QUTMXLSXCNKMIO-LBPRGKRZSA-N	316.283	1.460	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)Cc2ccncc2)c1	779677532	ZOOAZAYKEKWARB-UHFFFAOYSA-N	305.359	1.171	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Nc1ccnc(C)n1	776493570	ODORCTXFSIAYCR-UHFFFAOYSA-N	301.306	1.260	50	20	DDGD	
CN(CC(=O)NNC(=O)c1c[nH]c2ccccc12)CC(C)(C)C	873823949	NQRWHTVWOZNYGG-UHFFFAOYSA-N	316.405	1.907	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cc(C)co2)cc1	878399188	OYWPHRGGMKWZAW-UHFFFAOYSA-N	302.330	1.990	50	20	DDGD	
Cc1ccccc1C[C@H](C)NC(=O)NNC(=O)C1CCNCC1	1118027012	NYBQLCAQOYIKPM-ZDUSSCGKSA-N	318.421	1.256	50	20	DDGD	
COCCOCCC(=O)NNC(=O)c1nc2ccccc2s1	874913891	VHIXCZPWYOYBIH-UHFFFAOYSA-N	323.374	1.110	50	20	DDGD	
CCc1cc(NNC(=O)[C@H](C)N(C)C)nc(-c2ccccn2)n1	878816413	PRTRZHPZQRZMGQ-NSHDSACASA-N	314.393	1.494	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1cc(C)ccc1Cl	878943660	HVOYDRWNXKCELO-UHFFFAOYSA-N	315.757	1.464	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1ccc(O)cc1	777900427	NHVQXXQHAJMTKC-UHFFFAOYSA-N	307.350	1.757	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNc1nncc(N)c1Cl	1116418831	KZBSMUXLHNSWQV-ZCFIWIBFSA-N	323.788	1.689	50	20	DDGD	
COc1cc(C(=O)NN=c2sc3ccccc3n2C)nn1C	772010839	YJIMDPVUAOWPIG-UHFFFAOYSA-N	317.374	1.228	50	20	DDGD	
CC(C)C[C@@H]1OCCC[C@@H]1NS(=O)(=O)CBr	774899338	MFBIMRNCECBFKH-UWVGGRQHSA-N	314.245	1.852	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNC(=O)C1CCC=CCC1	874270127	KDYNLPWPSGSHFO-UHFFFAOYSA-N	321.402	1.372	50	20	DDGD	
O=C(CCC(=O)c1ccccn1)NNC(=O)NCc1ccco1	770224137	WWDYVBMDJFESBT-UHFFFAOYSA-N	316.317	1.168	50	20	DDGD	
O=C(NCCc1cnccn1)NNC(=O)c1c[nH]c2ccccc12	774781453	FMQGJRLVOZJHJV-UHFFFAOYSA-N	324.344	1.145	50	20	DDGD	
Cc1cc2c(cc1C)[C@H](C(=O)NNC(=O)CC(F)(F)F)CO2	770224418	ZSTYWZOFZHDZKK-SNVBAGLBSA-N	316.279	1.879	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCCCS1	772295401	FOZURUNTHGTJFX-WDEREUQCSA-N	316.423	1.397	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCc1cc(OC)cc(OC)c1	887139115	AOOMTMGJXRDSHP-UHFFFAOYSA-N	318.373	1.587	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@H]1C1CCOCC1	777744910	WNCTZDHHTISOQL-ZDUSSCGKSA-N	311.426	1.071	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1cnccc1N(C)C	776184986	DAIDFAFDXAUIIT-AWEZNQCLSA-N	317.437	1.720	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=Cc2ccc(F)nc2)c1	777429704	DLQHTBJJWZWVEG-UHFFFAOYSA-N	321.333	1.388	50	20	DDGD	
C[C@@H]1CN(c2ccncc2)CCN1C(=O)NNC(=O)C(C)(C)C	884138020	BNFSETDMSMGXQJ-GFCCVEGCSA-N	319.409	1.379	50	20	DDGD	
COCC[C@H](Cc1ccco1)NC(=O)NNC(=O)C1CCC1	784473008	ZAAIBSAQOPTNKA-GFCCVEGCSA-N	309.366	1.358	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NNc1ncc(F)cc1F	880249536	CYXUDWNZBCOJQW-MADCSZMMSA-N	307.304	1.892	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCC(=O)[C@@H](C)C1(C)C	780627829	IVODSLHXSATMAS-LDYMZIIASA-N	306.366	1.121	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@H]2COc3ccccc3O2)cn1	780189339	XOTYWULDEUJVOP-CQSZACIVSA-N	313.313	1.380	50	20	DDGD	
Cc1ccc2c(c1)CC[C@@H]2NC(=O)NNC(=O)C1CCOCC1	883191290	YGMFJKJTUCCCII-HNNXBMFYSA-N	317.389	1.739	50	20	DDGD	
Cn1nccc1[C@@H]1C[C@H](NS(=O)(=O)CCCCl)CCO1	882240235	ZBPCXRXUJOFCKU-PWSUYJOCSA-N	321.830	1.189	50	20	DDGD	
COc1ccc(CC(=O)NNc2cccc([N+](=O)[O-])c2)nc1	789994446	WBYMNCFMJIYZKL-UHFFFAOYSA-N	302.290	1.684	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1cccc(O)n1	785953973	AUUQWCLJSQCLFA-UHFFFAOYSA-N	306.347	1.035	50	20	DDGD	
CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=c1cc[nH]cc1	780761307	OHCQXENTKKLKIA-CYBMUJFWSA-N	322.409	1.886	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccc(F)cn2)cc1C	784615510	BNJYOOZDEZTRET-UHFFFAOYSA-N	317.320	1.678	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC(=O)c2cccn21)c1ccccc1F	788719494	FZDTVHGQSOYPNB-CYBMUJFWSA-N	315.304	1.606	50	20	DDGD	
CSC1(C(=O)NNc2nc(-c3ccncc3)no2)CCC1	787288123	HWSRFQSOIPBOGC-UHFFFAOYSA-N	305.363	1.860	50	20	DDGD	
NC(=O)[C@H]1CCC[C@H](C(=O)NNc2ccccc2[N+](=O)[O-])C1	786688048	KPEJOUSOVNNWNW-UWVGGRQHSA-N	306.322	1.330	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@@H](O)C1CCCCC1	783619208	PXPRUEUZIMGFDA-HNNXBMFYSA-N	308.353	1.457	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Cc2ccc(OC)cn2)cc1	789871531	PHBSXRAWEYSNDG-UHFFFAOYSA-N	313.357	1.656	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H](C)n1cnc2ccccc21	798304412	PJWFCHBEPXZMBI-JTQLQIEISA-N	303.391	1.279	50	20	DDGD	
Cc1nn(-c2ccccc2)c(N)c1C=NNC(=O)c1cnn(C)c1	794907928	FVXBZWNXYHFKQT-UHFFFAOYSA-N	323.360	1.260	50	20	DDGD	
CS(=O)(=O)C1(CNC(=O)NNc2cccc(C#N)c2)CCC1	793272038	MAMFPIHRIDUBGL-UHFFFAOYSA-N	322.390	1.152	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)C[C@H]1CCCOC1	793753413	XRRQWKSOGKHAJV-LLVKDONJSA-N	324.402	1.448	50	20	DDGD	
Cc1cccnc1NNC(=O)C[C@@H](NC(N)=O)c1cccs1	791223446	DTBGNZRIVWNZHF-SNVBAGLBSA-N	319.390	1.694	50	20	DDGD	
C=C(CBr)CN[C@H](C(=O)OCC)C1CCOCC1	791489481	CBXRXKMDAMGXGW-LBPRGKRZSA-N	320.227	1.885	50	20	DDGD	
O=C(NNc1ncccn1)[C@@H](O)c1cccc(C(F)(F)F)c1	795047676	RCZFCLQBAOYSQK-JTQLQIEISA-N	312.251	1.672	50	20	DDGD	
CCCCC(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1	797645668	JRKYILHYWFWSKZ-UHFFFAOYSA-N	312.753	1.834	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1CCC(C(F)F)CC1	799473690	MQEAMLRXONHKAY-JHJMLUEUSA-N	317.380	1.882	50	20	DDGD	
Cc1nccnc1N1CCN(C[C@H](C)CBr)CC1	799325633	JEEQCWADDUEBMG-LLVKDONJSA-N	313.243	1.938	50	20	DDGD	
CCn1ncc2cc(C(=O)NNC(=O)c3ccc[nH]3)c(C)nc21	799408897	DHAGXEQFJIIKLV-UHFFFAOYSA-N	312.333	1.163	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1ccnc(C)c1	790467140	YKGXXLQUQVRZNR-UHFFFAOYSA-N	313.357	1.792	50	20	DDGD	
COCc1cc(C=NNC(=O)CNc2ccc(OC)cc2)no1	794860835	YURKLPSOSFSDBW-UHFFFAOYSA-N	318.333	1.392	50	20	DDGD	
C[C@H](CCS(C)(=O)=O)NC(=O)c1cccc(CCl)c1	1353608507	CMDSANROBXHAQW-SNVBAGLBSA-N	303.811	1.978	50	20	DDGD	
Cc1nn(C)c(C)c1[C@H](C)C(=O)NNc1nncc(N)c1Cl	1319328554	NJFPHHBESAGLNO-LURJTMIESA-N	323.788	1.309	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(C)C1CCC(CO)CC1	1319544277	ODVYLKYXTZYSLU-HSBZDZAISA-N	313.442	1.051	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCc2ccc3c(c2)CCO3)o1	1319116622	MKIIHIITBGFGQN-UHFFFAOYSA-N	314.341	1.917	50	20	DDGD	
CCOC(=O)[C@@H](CC(C)C)NNC(=O)c1ccc(OC)cc1	1320850201	GQDXFQURLKKJCZ-CQSZACIVSA-N	308.378	1.907	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc(O[C@H]2CCOC2)cc1	1321416146	KCVKDXODHYAHBO-ZDUSSCGKSA-N	323.418	1.372	50	20	DDGD	
CC(CCc1ccc(O[C@H](C)C(=O)O)cc1)=NNC(=O)CCO	1324924599	AMLMDGNRLTYKFS-GFCCVEGCSA-N	322.361	1.346	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H](CC(=O)NNc1ccncn1)C1CC1	1326560022	LJRFROASQVYKEI-LLVKDONJSA-N	321.381	1.613	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cn(C3CCOCC3)nn2)cc1	1324752572	VBPNRMNIPHXZGW-UHFFFAOYSA-N	312.333	1.258	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@H]1C[C@@H](C(=O)OC)C1	1337259478	RQLXOMPHMUTBHH-DTORHVGOSA-N	324.308	1.255	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2nccn2C1)c1ccccc1Cl	1330739666	HNJVCIUHECXTAJ-SNVBAGLBSA-N	318.764	1.560	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2cccc3c2OCCO3)nc1	1358213465	OBOUZYYHSQAAHO-UHFFFAOYSA-N	314.345	1.988	50	20	DDGD	
N#C/C(=C\c1cn(CC(=O)O)nn1)C(=O)C1(c2ccccc2)CC1	1608170480	OXRYOZVAVNSHMV-XYOKQWHBSA-N	322.324	1.571	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)Nc2ccccc2)c(C(=O)O)nn1C	1600009737	QIHLWWSCUKYKPY-FLIBITNWSA-N	310.313	1.972	50	20	DDGD	
C[C@@H](C(=O)O)C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	1602804263	GDFXOLGLNAHOLJ-ZCFIWIBFSA-N	317.248	1.161	50	20	DDGD	
O=C(NNC(=O)c1ccc(C(=O)O)s1)Nc1ccccc1	1601554686	DVVPHXCSIWPDMY-UHFFFAOYSA-N	305.315	1.913	50	20	DDGD	
O=C(NNC(=O)C(=O)O)N[C@H](c1ccc(F)cc1)C1CCCC1	1608477186	GHVBFSJWAZMLQX-LBPRGKRZSA-N	323.324	1.472	50	20	DDGD	
Cn1nc(C(=O)NNc2cccc(C(=O)O)c2)cc1C(F)F	1600998718	LGUOFBDEIKQQTK-UHFFFAOYSA-N	310.260	1.813	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNc2cccc(C(=O)O)c2C)n1	1600178833	MEKUPJDLGFBPBQ-UHFFFAOYSA-N	302.334	1.650	50	20	DDGD	
O=C(CC1OCCCO1)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1608297484	HYOJIZDHYFOMNC-UHFFFAOYSA-N	311.246	1.352	50	20	DDGD	
Cc1c(NNC(=O)c2cnc(N(C)C)cn2)cccc1C(=O)O	1600054705	DITAWRGBQYISAZ-UHFFFAOYSA-N	315.333	1.306	50	20	DDGD	
O=C(NCc1ccccc1)NN=Cc1cccc(-c2nn[nH]n2)c1	1609556221	HOCQOISDMPUSQL-UHFFFAOYSA-N	321.344	1.700	50	20	DDGD	
CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1cnoc1C	1609060879	LCQHBBQQSQYWEC-UHFFFAOYSA-N	311.305	1.317	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC2CC(CC(=O)O)C2)cc1	1605804852	NTTSTKSPMHLETJ-UHFFFAOYSA-N	319.361	1.446	50	20	DDGD	
Cn1cc([C@H]2OCCC[C@H]2C=NNC(=O)c2cccn2C)cn1	1552453996	RBYYACDSRNRTAT-WFASDCNBSA-N	315.377	1.642	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1C[C@@H](N)C1(C)C	1576287691	RSHIMJSVPYCKMO-ZWKOPEQDSA-N	323.368	1.114	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1C[C@@H](N)C1(C)C	1576287686	RSHIMJSVPYCKMO-TVYUQYBPSA-N	323.368	1.114	50	20	DDGD	
CCOCCC(=O)N1CC2(CCCN2C(=O)[C@@H](Cl)CC)C1	1845168155	OCFMGIJZAFZHES-LBPRGKRZSA-N	316.829	1.634	50	20	DDGD	
C[C@@]1(CCC(=O)NNc2ccccc2C(=O)O)CCC(=O)N1	1594001055	BNIHRURVCUQHJT-HNNXBMFYSA-N	305.334	1.277	50	20	DDGD	
N#Cc1cccc(NNC(=O)[C@@H]2CO[C@@H](CCC(=O)O)C2)c1	1594628452	UUJUGIBEYOVAJJ-AAEUAGOBSA-N	303.318	1.271	50	20	DDGD	
CC(C)C[C@@H](CN)NC(=O)NNc1ccc(C(=O)O)cc1F	1591144496	QMUJTZWZIIAGDG-JTQLQIEISA-N	312.345	1.523	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)c1ccccn1	14235906	DOGNDEFRNJHYRD-HZMBPMFUSA-N	313.313	1.071	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccc(C(N)=O)cc2)cc1	18095499	CCVHAYJQBYIDNS-UHFFFAOYSA-N	311.341	1.423	50	20	DDGD	
C[C@H]1CC[C@H](CCC(=O)NNC(=S)Nc2ccccn2)O1	161713491	SNPHSHCRENGMHK-WDEREUQCSA-N	308.407	1.747	50	20	DDGD	
C[C@H]1CC[C@@H](CCC(=O)NNC(=S)Nc2ccccn2)O1	161713723	SNPHSHCRENGMHK-QWRGUYRKSA-N	308.407	1.747	50	20	DDGD	
COCCOc1cccc(CC(=O)NNC(=O)CC(C)(C)C)c1	153513087	CRJKHMAFULPLSE-UHFFFAOYSA-N	322.405	1.838	50	20	DDGD	
Cc1nc2ccc(NC(=O)NNC(=O)CN(C)C)cc2s1	153645067	WNFIFKBHQWAZBY-UHFFFAOYSA-N	307.379	1.319	50	20	DDGD	
Cc1cc(Cl)ccc1C(=O)NNC(=O)C(=O)N1CCCC1	157375155	HIRKVFSYFDFAOF-UHFFFAOYSA-N	309.753	1.032	50	20	DDGD	
O=C(CNC(=O)NC1CCCCC1)NNc1cccc(F)c1	154372604	CLFDBBIVONRIGS-UHFFFAOYSA-N	308.357	1.901	50	20	DDGD	
C[C@H]1C[C@H](NS(=O)(=O)c2ccc(CCCl)cc2)CO1	402342049	WNYXCGSIQYNEJD-JQWIXIFHSA-N	303.811	1.924	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1	6613068	FALAAQHHBXLRSX-GXDHUFHOSA-N	302.330	1.835	50	20	DDGD	
COCc1ccccc1CNC(=O)NNc1ccc(C)nn1	106258652	QSKUPMBJPBIKQI-UHFFFAOYSA-N	301.350	1.758	50	20	DDGD	
NC(=O)[C@H](NNC(=O)Cn1ccc2ccccc21)c1ccccc1	105407734	TXXSHARPUMEBGZ-QGZVFWFLSA-N	322.368	1.489	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@@H]2C[C@H]2C)ccc1OC(C)C	24301143	RTINKOVOZZDDFE-ZYHUDNBSSA-N	306.362	1.899	50	20	DDGD	
COCCCNC(=O)NNC(=O)C1(c2cccc(F)c2)CC1	115346336	CHZDVPZGIUOSMP-UHFFFAOYSA-N	309.341	1.224	50	20	DDGD	
CC[C@@H](C)C[C@@H](C)NC(=O)NNC(=O)CNC(=O)c1ccco1	176229612	BDWPYDOTXYRWET-GHMZBOCLSA-N	324.381	1.165	50	20	DDGD	
CS[C@@H](C)C(=O)N/N=c1\nc(-c2ccccn2)[nH]c(C)c1C	114892686	DATUEMQZOADUMS-NSHDSACASA-N	317.418	1.772	50	20	DDGD	
Cc1cncc(NC(=O)C(=O)NNc2ccccc2[N+](=O)[O-])c1	119145602	WISSTYXUKKGXOG-UHFFFAOYSA-N	315.289	1.380	50	20	DDGD	
CCN(CCNC(=O)NNC(=O)c1ccc(C#N)cc1)C(C)C	102571062	GKTDWWPAEXCUPN-UHFFFAOYSA-N	317.393	1.233	50	20	DDGD	
O=C(CC[C@@H]1Cc2ccccc2NC1=O)NNC(=O)C1CC1	29509377	NLFLHIODGIMYES-GFCCVEGCSA-N	301.346	1.135	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C(C)(C)Oc2ccc(F)cc2)cn1	117679585	AYKUSGPEMMSUSE-UHFFFAOYSA-N	320.324	1.178	50	20	DDGD	
Cn1c(=O)[nH]c2cc(C(=O)NNc3c(F)cccc3F)ccc21	118510680	BAUWHJFGJWKKEI-UHFFFAOYSA-N	318.283	1.902	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C[C@@H](C)C(C)C	171287742	SOXHBCUOIGOSLB-GFCCVEGCSA-N	308.378	1.904	50	20	DDGD	
O=C(CC1CCC1)NNC(=O)c1cc(Br)c[nH]1	173125779	SYXKBNYWOUKSJC-UHFFFAOYSA-N	300.156	1.728	50	20	DDGD	
Cn1c(=O)[nH]c2cc(C(=O)NNc3ncccc3Cl)ccc21	114886691	BCZGLBTXAWBTLL-UHFFFAOYSA-N	317.736	1.672	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)c1ccc(OC(F)F)cc1	301217497	CMTPAUGWFYZNRS-UHFFFAOYSA-N	307.256	1.758	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)no1	302889456	NSLTXRIVFMLRPW-UHFFFAOYSA-N	312.285	1.713	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc3c(c2)[nH]c(=O)n3C)nc(C)n1	128718780	FJXKSFGPTOSLJE-UHFFFAOYSA-N	312.333	1.030	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCOC1)c1ccc(Br)s1	66896747	UZGSUYKOKOSQFG-ZCFIWIBFSA-N	319.180	1.308	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)Cc2cc[nH]n2)cc1[N+](=O)[O-]	186385764	NFNBSKHFSLISIO-UHFFFAOYSA-N	318.293	1.022	50	20	DDGD	
CC[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2)CCS1	173925048	UXZQKEVXZQARRL-CYBMUJFWSA-N	307.419	1.275	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C1[C@H]2CCC[C@H]12	177601357	MHYCAKFEVXXDIL-KWBADKCTSA-N	302.330	1.020	50	20	DDGD	
Cc1ccc([C@H](CNC(=O)NNC(=O)C(C)(C)C)N(C)C)cc1	128958928	GTXNJUXJZHJUGS-AWEZNQCLSA-N	320.437	1.974	50	20	DDGD	
O=C(NNC(=O)c1ccc(Br)cc1O)c1ccc[nH]1	127352154	PZNYCHRJUIIBET-UHFFFAOYSA-N	324.134	1.558	50	20	DDGD	
CN1CCC[C@@H]2CN(S(=O)(=O)CCCCCl)CC[C@@H]21	127928569	JICKWZAUTDSNJE-OLZOCXBDSA-N	308.875	1.751	50	20	DDGD	
O=C(NNc1ccccn1)c1nn(-c2ccc(F)cc2)cc1O	181910754	OUYMAXJKIJJOIP-UHFFFAOYSA-N	313.292	1.869	50	20	DDGD	
COc1cccc(NNC(=O)CNC(=O)c2ccc(F)cc2)n1	180668031	LJLFPLZJVMPXMT-UHFFFAOYSA-N	318.308	1.102	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2cccc(N(C)C)c2)no1	74170055	LTTZVPOMGISMOY-UHFFFAOYSA-N	302.334	1.053	50	20	DDGD	
COc1cccc(NNC(=O)CCc2nnc(C(C)C)o2)n1	180712214	AMHJWJXELMMYQV-UHFFFAOYSA-N	305.338	1.673	50	20	DDGD	
CN1CCC(NC(=O)NNC(=O)c2c[nH]c3ccccc23)CC1	126462358	XWVBQTFKNRUINS-UHFFFAOYSA-N	315.377	1.206	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)c2ccncc2)cc(O)n1	121209926	KTOLTQVHZDILML-UHFFFAOYSA-N	300.318	1.380	50	20	DDGD	
CC(C)NC(=O)NNC(=O)C[C@H](C)C(=O)c1cccc(F)c1	73120353	OTFHDOWHXGHNAU-JTQLQIEISA-N	309.341	1.773	50	20	DDGD	
Cc1cc(NNC(=O)c2cn(-c3ccccc3)nn2)nc(C)n1	128654200	ITGZALPZWUIDGX-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2cc(C(C)C)no2)c1	71094735	VQPRADNMLSUUTN-UHFFFAOYSA-N	317.345	1.946	50	20	DDGD	
CC[C@@H](C)[C@H](C(=O)NNC(=O)C(=O)NC(C)C)c1ccccc1	72937692	DEFYXEBQUZMKSW-OCCSQVGLSA-N	319.405	1.488	50	20	DDGD	
COc1cccc(NNC(=O)CCn2cnc3ccccc32)n1	183029478	ZFRFKOKQOHELMF-UHFFFAOYSA-N	311.345	1.973	50	20	DDGD	
O=C(NNc1ccccn1)[C@H]1CCCN1C(=O)Cc1ccccc1	181226082	YYOLRLWHNPWUSH-OAHLLOKOSA-N	324.384	1.758	50	20	DDGD	
C[C@H]1SCCN(CC(=O)NNC(=O)c2ccccc2)[C@@H]1C	182321955	LRXJRKUXOMJDQN-VXGBXAGGSA-N	307.419	1.273	50	20	DDGD	
CC(C)OCCC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	78465656	UNQMEDCXTOOFEN-NSHDSACASA-N	312.341	1.556	50	20	DDGD	
COc1nccnc1NNC(=O)c1nc(C(C)C)ncc1Cl	131927003	SYXABZFDMPKIEQ-UHFFFAOYSA-N	322.756	1.809	50	20	DDGD	
CC[S@@](=O)c1ccccc1C(=O)NNc1cccc(OC)n1	180667112	WEDAQNJISTXIET-JOCHJYFZSA-N	319.386	1.975	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1ccc(Cl)cn1	134688991	LXPOONRAVZJWIX-UHFFFAOYSA-N	324.793	1.983	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n1	136355907	CESNOLHRAJPBLR-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
C[C@@H](CSCc1ccccc1)C(=O)NNC(=O)C(C)(C)O	192932547	FAQIPKKCFNHUNH-NSHDSACASA-N	310.419	1.474	50	20	DDGD	
COc1ccc(F)cc1NC(=O)C(=O)NNc1cc(C)ccn1	190044040	XGLJCUHWQWCICR-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNC(=O)NC2CCCCC2)cn1	193919763	QNAIQPPIHAYEIO-UHFFFAOYSA-N	307.398	1.915	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)C2CC2)[nH]c(C)c1C(=O)OC	48185212	MXJFWNMMKMOSFT-UHFFFAOYSA-N	307.350	1.233	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCCc3c2cnn3C)o1	84153401	ZAQPMHYGQFGGCL-LLVKDONJSA-N	317.349	1.343	50	20	DDGD	
Cc1cc(Br)ccc1C(=O)NNC(=O)C(C)(C)O	190061493	HERKGMAFCOYLNP-UHFFFAOYSA-N	315.167	1.289	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)C(=O)Nc1ccc(F)cn1	194054147	NFGLGILDOOSNDV-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
O=C(NNS(=O)(=O)CCC1CC1)c1cccc2ncccc12	92276207	NRBRZNOEXUSCGJ-UHFFFAOYSA-N	319.386	1.599	50	20	DDGD	
COc1ccnc(NNC(=O)C2=Cc3cc(F)ccc3OC2)n1	90167264	OKDBCZDSMXFPHL-UHFFFAOYSA-N	316.292	1.543	50	20	DDGD	
C[C@@H]1CC[C@@H](CC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)C1	247777632	XASWBPFFNSYOPP-UPJWGTAASA-N	302.440	1.305	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)n1	246805432	BXSATPCZAKQORK-JTNHKYCSSA-N	321.425	1.655	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CNC(=O)OC(C)(C)C)c1	268311836	QJAFJBPMAPGYPK-UHFFFAOYSA-N	313.329	1.802	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)O1	268365826	VCPPOMXQTSQZHX-UONOGXRCSA-N	305.378	1.471	50	20	DDGD	
CCCCCS(=O)(=O)CC(=O)NNC(=O)c1ccccc1	263946035	FIIYLRZPAWYODE-UHFFFAOYSA-N	312.391	1.053	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2CCc3c(O)cccc32)n1	266734614	DJZPJRNCVCCMFS-LLVKDONJSA-N	315.333	1.504	50	20	DDGD	
CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CC=C(C#N)CC1	369898044	NODJNBCCQARKSH-QGZVFWFLSA-N	309.369	1.642	50	20	DDGD	
CC1(C)[C@H]2OCCC[C@H]2[C@H]1NS(=O)(=O)CBr	363712322	LEPXUGPAVPPGAX-YIZRAAEISA-N	312.229	1.462	50	20	DDGD	
CCN(C[C@H]1CCCO1)C(=O)NNC(=O)c1ccccc1OC	275911251	WCSDERRGVHAYFT-GFCCVEGCSA-N	321.377	1.551	50	20	DDGD	
COc1ccc(NNC(=O)NCCC(=O)OC(C)(C)C)nc1	275827934	AMTBMOAWARDZNI-UHFFFAOYSA-N	310.354	1.448	50	20	DDGD	
CC(C)(C)[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc[nH]2)CCO1	270709515	BKUDWVKXHIQNKQ-ZYHUDNBSSA-N	308.382	1.552	50	20	DDGD	
COc1ccnc(NNC(=O)CC2CCC3(CC2)OCCO3)n1	276364510	ZNMBRMDFDMPLMP-UHFFFAOYSA-N	322.365	1.252	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)C1(C)COC(C)(C)OC1	271116144	NBRYSUNPRJQWFH-UHFFFAOYSA-N	306.362	1.545	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CCCCN2C(=O)C(C)C)nc1	275600619	PSCFNHYRRZIDJM-CYBMUJFWSA-N	320.393	1.570	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](CC(=O)NNC(=O)Cc2ccncc2)CCO1	273074125	GCWMXYCNRDFQIN-GJZGRUSLSA-N	319.405	1.613	50	20	DDGD	
Cc1oc(C(C)C)nc1C(=O)NNC(=O)CNc1ccccc1	287065299	KSGOXNVPQQIDKS-UHFFFAOYSA-N	316.361	1.980	50	20	DDGD	
CN(C)Cc1ccsc1C(=O)NNC(=O)NCC(F)(F)F	281341659	UVRFVQQGLQLHOG-UHFFFAOYSA-N	324.328	1.316	50	20	DDGD	
O=C(NNc1cccc(F)n1)Nc1cccnc1-n1cncn1	376817194	AGLNDKNSWTVQIL-UHFFFAOYSA-N	314.284	1.345	50	20	DDGD	
O=C(CN1C[C@H]2CCC[C@@H](C2)C1)NNC(=O)c1ccccc1	375661678	VXMYIUIWKQQSBM-KBPBESRZSA-N	301.390	1.570	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)nc1C	282718686	LJNBIPJERDXFFL-YGOYTEALSA-N	322.365	1.218	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C1CCC1)[C@H](c1ccccc1)N(C)C	287845675	DILCGFWPQBGECL-SWLSCSKDSA-N	318.421	1.808	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ncccc1CC	287814490	NHUWEAVIAIJEGG-UHFFFAOYSA-N	309.366	1.194	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1ccc2c(c1)OCO2	285038436	DPZBBBNCFXWYOV-UHFFFAOYSA-N	314.388	1.481	50	20	DDGD	
Cc1cc(OCC(=O)N2CC=C(C#N)CC2)ccc1[N+](=O)[O-]	280444946	BGQQERXYIGZLHX-UHFFFAOYSA-N	301.302	1.964	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cncc(O)c2)c2ccccc2n1	803338417	FLDSSJCDCRMUNM-UHFFFAOYSA-N	322.324	1.719	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)[C@@H]1CCCOC1	807917082	KQZRVDSDNOOUOS-SNVBAGLBSA-N	313.448	1.213	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccnc2ccncc12	806994469	GQAJEUXIPHKYMJ-UHFFFAOYSA-N	307.313	1.029	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)c1cnc2[nH]c(O)nc2c1	809752358	PWQZDLDEHAFSOX-UHFFFAOYSA-N	304.697	1.469	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1F	294293705	QKKHBPREAGLRNX-ZANVPECISA-N	310.325	1.092	50	20	DDGD	
O=C(NNc1nnc[nH]1)c1cccc(OC[C@H]2CCCO2)c1	293978578	RDBYWAWCBKBGAG-GFCCVEGCSA-N	303.322	1.119	50	20	DDGD	
CCN1CCCC[C@@H]1CNC(=O)NNc1ncc(F)cc1F	297124392	GNTIZLTZADTJMQ-LLVKDONJSA-N	313.352	1.860	50	20	DDGD	
COc1cc(Br)ccc1C(=O)NNC(=O)C1CC1	299562149	YFYWLVZMZYTHDK-UHFFFAOYSA-N	313.151	1.629	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)/C=C(/C)C(C)(C)C	807370159	WGWDTMKDCNEBHL-KHPPLWFESA-N	300.399	1.915	50	20	DDGD	
O=C(NN=C1CCC[C@H]1CCCF)[C@H]1CCS(=O)(=O)C1	800809779	WXGQDZDFTHTGRJ-QWRGUYRKSA-N	304.387	1.443	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1C	299468928	CJSGOKBIHMYOJB-UHFFFAOYSA-N	320.349	1.624	50	20	DDGD	
O=C(NCCOCc1ccccc1)NNC(=O)[C@H]1CCCCO1	296270669	BFYVAXGIZITBEI-CQSZACIVSA-N	321.377	1.103	50	20	DDGD	
CC(=O)N(CCc1ccccc1)CC(=O)NNC(=O)CC1CC1	294232346	RNQGNSHSILCQAX-UHFFFAOYSA-N	317.389	1.025	50	20	DDGD	
CC[C@@H](C)CONC(=O)NNc1cccc(S(C)(=O)=O)c1	291711689	GLSSVTFVGAWYAK-SNVBAGLBSA-N	315.395	1.694	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1ccc(F)c(F)c1F	802025905	IRRWSNBOAFWBBS-UHFFFAOYSA-N	310.235	1.387	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)[C@@H](F)C(F)(F)F	810339944	UCLQZTVFYPZFMW-ZCFIWIBFSA-N	305.191	1.475	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)Nc1ccc(Cl)cc1	815005158	RWCZBQPFWOYIFA-UHFFFAOYSA-N	303.771	1.882	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ncncc2F)c2ccc(F)cc2N1	817079332	BYGZMIOKNMXHMG-VIFPVBQESA-N	319.271	1.324	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCCSC2)c(OC)c1	810355378	ABGVXAKJQSYNDR-SNVBAGLBSA-N	324.402	1.608	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cccnc2F)cc1	813576653	XJLOPSABMWEEMQ-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@]1(C)CC1(F)F	817251387	JZTBOWITPVBCPI-UFBFGSQYSA-N	306.309	1.157	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2nc[nH]n2)nn1-c1ccccc1	816633329	XQRFSLDRJSUTKX-UHFFFAOYSA-N	311.349	1.871	50	20	DDGD	
Cn1nncc1NNC(=O)Cc1csc(-c2cccs2)n1	816770537	BNFQIUSASRFLGB-UHFFFAOYSA-N	320.403	1.686	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCN(C(=O)C2CC2)C1	817671945	LMUJUHNLXLOPKD-JTQLQIEISA-N	317.227	1.834	50	20	DDGD	
O=C(NN=Cc1cccc(C2CC2)c1)N[C@H]1CCS(=O)(=O)C1	817323848	WYWMDOQBNWKKHR-AWEZNQCLSA-N	321.402	1.384	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccccc1NC(=O)C1CC1	814991064	QTSOHIZIMNFJGV-UHFFFAOYSA-N	315.373	1.986	50	20	DDGD	
CN(NC(=O)CC1(CC(=O)NN(C)C2CC2)CCCC1)C1CC1	819647890	SYWJPUGBRSBNOU-UHFFFAOYSA-N	322.453	1.578	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=C1CC[C@@H]2CCCC[C@H]2C1	728435802	ACSUOHGHWQJELR-SRVKXCTJSA-N	315.439	1.387	50	20	DDGD	
Cc1cccnc1C(=O)NN=Cc1cc(-c2nn[nH]n2)cs1	826308320	UGQUQSQAUDYJSZ-UHFFFAOYSA-N	313.346	1.396	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C[C@@H]2CC[C@H]3C[C@H]23)cc1	822221756	DTNRHOYWHASVQH-OBJOEFQTSA-N	315.373	1.517	50	20	DDGD	
Cc1nn(C)c(C)c1S(=O)(=O)NN(C)C(=O)OC(C)(C)C	496593645	WAWPEIRVLQXSEB-UHFFFAOYSA-N	318.399	1.097	50	20	DDGD	
CC(C)(C)OC(=O)NCC1(C(=O)NN=c2cc[nH]cc2)CC1	495388163	QBUJMQFMWSIVIT-UHFFFAOYSA-N	306.366	1.252	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=O)CCc2ccc(OC)cc2)CC1	825536967	XMGQJAZXUKQWBW-UHFFFAOYSA-N	318.373	1.535	50	20	DDGD	
O=S(=O)(CCl)N1CCN(CCc2ccccc2)CC1	829837292	BRKUSYULIFPBPE-UHFFFAOYSA-N	302.827	1.373	50	20	DDGD	
CCOc1ccc(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	825942660	HPHVVVBUIJYIIB-SMDDNHRTSA-N	321.377	1.341	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc(CN2CCOC2=O)cc1	494571719	HTXBZIXXRWPNJK-UHFFFAOYSA-N	320.349	1.448	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NO[C@H](CO)C(C)C)cc(C#N)n1C	491044988	DKINZQFUEVAPJT-DTHCKZEYSA-N	316.361	1.177	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNc1ccc(C(=O)OC)c(F)c1	821938505	BYLYMXYAKOYHGV-GHMZBOCLSA-N	324.308	1.255	50	20	DDGD	
CCC(=NNC(=O)CNC(=O)OC(C)(C)C)c1nccn1C	494539049	LBQQFMMSWQPBFR-UHFFFAOYSA-N	309.370	1.175	50	20	DDGD	
C=CCOCC(=O)NNC(=O)[C@@H](C)Oc1ccc(OCC)cc1	729299623	FHRPVQCYHABISL-GFCCVEGCSA-N	322.361	1.203	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)C(C)(C)c1ccccc1)C(=O)O	826585941	TYLPCEHXIMQIKR-UHFFFAOYSA-N	321.377	1.405	50	20	DDGD	
COC(=O)[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H]2Br)[C@@H]1C	907649172	AOGFMBJAAMTSMR-KZFFXBSXSA-N	304.184	1.570	50	20	DDGD	
CC1(C)[C@H]2CC[C@@H](NC(=O)c3cc(B(O)O)ccc3F)[C@H]1C2	585004135	YQQYUHTWVJBVBW-MRCXROJRSA-N	305.158	1.060	50	20	DDGD	
COC(=O)NNC(=O)c1cccnc1OCc1ccccc1F	496573728	TVNPBODJJGKBOY-UHFFFAOYSA-N	319.292	1.801	50	20	DDGD	
CC(C)CC(CC(C)C)=NNC(=O)[C@@H]1CCS(=O)(=O)C1	730576292	OQMJANZWSSYIGI-GFCCVEGCSA-N	302.440	1.986	50	20	DDGD	
Cc1nc([C@@H]2CCCN2C(=O)c2cccc(B(O)O)c2)cs1	584975698	YGKZHEUSKPVZBA-AWEZNQCLSA-N	316.191	1.109	50	20	DDGD	
COCC[C@H](Cc1cccc(Br)c1)C(=O)NN	825652454	UDGFDXZZRNLRPR-SNVBAGLBSA-N	301.184	1.634	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1Cl)C(=O)NN(C)[C@@H](C)CO	823959677	NRHLUGDWQZAQNJ-IUCAKERBSA-N	304.749	1.590	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N(C1CC1)[C@@H]1CCc2ccccc21	584939031	KQOYYIPOJXBJNA-GOSISDBHSA-N	321.185	1.659	50	20	DDGD	
O=C(NCB(O)O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	585057183	OHYCHFQHGGZBPX-UHFFFAOYSA-N	314.978	1.466	50	20	DDGD	
C[C@]1(N)CCCC[C@H]1C(=O)NNc1nc(-c2cccnc2)no1	831890359	GRBCXTQGXWSWMA-NHYWBVRUSA-N	316.365	1.482	50	20	DDGD	
O=C(/C=C\C1CCOCC1)NNC(=O)CCc1ccccc1	732638679	OYFMNLYDWQNBJL-CLFYSBASSA-N	302.374	1.749	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)c2ccnn2CCN(C)C)c1	901164744	KZFVNFATXLZJON-UHFFFAOYSA-N	301.394	1.818	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H](C(C)C)N1Cc2ccccc2C1=O	908112505	CNQYHMYPGBLFRB-CYBMUJFWSA-N	319.361	1.396	50	20	DDGD	
C[C@]1(C(=O)N2CCC3(CC2)CNC(=O)O3)C[C@@H]1Br	907602123	MDPMYGXNPRCWFF-KWQFWETISA-N	317.183	1.261	50	20	DDGD	
COCC(=O)NN=Cc1ccc(OC)c2oc(C(=O)O)cc12	831541095	MJBULMQAUJKFPH-UHFFFAOYSA-N	306.274	1.236	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)Nc1cccnc1	730818092	CQKHQAHNMCMBSL-UHFFFAOYSA-N	302.290	1.019	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnc(NC3CC3)s2)o1	900986741	APOMRMIRWQGVQX-UHFFFAOYSA-N	306.347	1.694	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCCCN2C)cc1C	731861537	FDLGITUKEKSCSU-HNNXBMFYSA-N	319.405	1.314	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cnc(O)c2ccccc12	833243936	YMEZWPVASQNPCK-ZDUSSCGKSA-N	315.329	1.271	50	20	DDGD	
CN(C)C(=O)c1ccc(CNC(=O)NNC(=O)C2CCC2)cc1	732240179	OKLVGUKZYNKIFI-UHFFFAOYSA-N	318.377	1.019	50	20	DDGD	
COc1cc(C(=O)N2CC[C@@H](B(O)O)C2)ccc1OCC(C)C	585075679	UGUAUAKDLGPRBO-CYBMUJFWSA-N	321.182	1.419	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1nc(C2CCC2)cs1	831781513	QWBLEMPXGXEXAD-SCZZXKLOSA-N	324.406	1.988	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1ccc(NC(C)=O)cc1	916720666	ZHJKHERRFLJWJJ-SECBINFHSA-N	309.391	1.683	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=Cc2ccc(F)cc2)c1	915052317	OOLZNUOUYUZSPJ-UHFFFAOYSA-N	320.345	1.993	50	20	DDGD	
COc1ccccc1OCCCNC(=O)NNc1cccnn1	736387677	UXROOXBZBLTKFK-UHFFFAOYSA-N	317.349	1.580	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)N[C@@H]1CC12CCOCC2	836611980	HAGCSVRFNRVCAZ-CQSZACIVSA-N	317.389	1.519	50	20	DDGD	
COc1ccc(NCC(=O)NN=Cc2ccc(O)c(O)c2)cc1	915916195	NPQKVDPOPJTPRM-UHFFFAOYSA-N	315.329	1.669	50	20	DDGD	
CC1CCN(CC(=O)NNc2cc(O)nc3ncccc23)CC1	913992055	NIFVSBNKDZZVHM-UHFFFAOYSA-N	315.377	1.510	50	20	DDGD	
CCCCCCO[C@H](C)C(=O)NNc1ccc(C(N)=O)nn1	839701501	QOMJJWGGLFBBAY-SNVBAGLBSA-N	309.370	1.004	50	20	DDGD	
CSc1cccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)n1	831803285	MJTSWVXBDZHYQD-IUCAKERBSA-N	310.379	1.381	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(SC)c1	839513505	SLOWENWGZSMSDS-UHFFFAOYSA-N	315.782	1.558	50	20	DDGD	
C[C@H](C#N)Oc1ccc(C=NNC(=O)[C@@H]2CCCCO2)cc1	834990608	YUFTYXGURPEFPR-DOMZBBRYSA-N	301.346	1.997	50	20	DDGD	
N#Cc1c[nH]c(C(=O)NNc2ccc(Br)nc2)c1	748314773	PSNOUSQRHSHIPV-UHFFFAOYSA-N	306.123	1.801	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1CCN(C)[C@H](C)C1	745855166	SCTRMZWWBJFMSI-OLZOCXBDSA-N	304.394	1.422	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1cnc(C2CC2)s1	743471471	JKPMHSYITAKIIY-UHFFFAOYSA-N	301.335	1.444	50	20	DDGD	
C[C@@H]1O[C@H](C)C[C@H]1CNC(=O)NNC(=O)Cc1ccc(F)cc1	840435620	MECUHYCQEDMMQG-MDZLAQPJSA-N	323.368	1.512	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2ccc3c(c2)CNC3)n1	841980018	DTILVBIQVTZZQL-UHFFFAOYSA-N	312.377	1.523	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)[C@H]1CC[C@@H](C(=O)O)C1	846710730	QJDUMNBYBMFCJB-VHSXEESVSA-N	317.305	1.076	50	20	DDGD	
C=CC[C@H](C)NC(=O)NNc1ncc(Br)cn1	848645442	MWBDYVAREFEIFO-ZETCQYMHSA-N	300.160	1.830	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](CC(=O)NNC(=O)c2ncccn2)CCO1	841350951	WLZLNAFVYSLWLK-RYUDHWBXSA-N	306.366	1.079	50	20	DDGD	
Cc1nc(Cl)c(Cl)cc1C(=O)NNC(=O)C(C)(C)O	847855279	JEARSZAFQTYSRR-UHFFFAOYSA-N	306.149	1.229	50	20	DDGD	
COc1ccc(F)cc1S(=O)(=O)NNC(=O)C(C)(C)C	842577637	PULKBZKXLDDBPD-UHFFFAOYSA-N	304.343	1.190	50	20	DDGD	
O=C(NNc1c(F)cccc1F)[C@H]1CCc2nnnn2CC1	845854332	CHOUQUKNQVRZDO-QMMMGPOBSA-N	308.292	1.047	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)NC1CCOCC1	918233489	QSZJYIJIHPBLRJ-UHFFFAOYSA-N	316.361	1.220	50	20	DDGD	
Cc1cc(F)c2c(c1)C(=NNC(=O)Cc1ccncc1)C(=O)N2	747641689	GIXKYLUXGRJZIV-UHFFFAOYSA-N	312.304	1.544	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cccc3ccccc23)cnn1C	741574349	XRDQAJOZJMWEIX-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1Cc2ccccc2S1	843642127	IYIOKXMXOOVQML-XHVZSJERSA-N	306.387	1.276	50	20	DDGD	
N#Cc1cccc(NNC(=O)[C@H]2CCCN2c2ncccn2)c1	748029631	LFFKBUQZXHLXFQ-CQSZACIVSA-N	308.345	1.460	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H](C)Cc2ccncc2)n1	749620216	LJBGCQPTPGSPHY-JTQLQIEISA-N	302.338	1.138	50	20	DDGD	
CCOc1cc(C=NNC(=O)NC)cc(Br)c1O	920376991	DGBAOBVEZZECKH-UHFFFAOYSA-N	316.155	1.816	50	20	DDGD	
CNc1ccc(Cl)c(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	844147982	YUIOJLLRVOTUTR-PSASIEDQSA-N	311.769	1.568	50	20	DDGD	
CCn1cncc1C=NNC(=O)[C@@H](C)Oc1ccc(F)cc1	841611445	RTUOWAOAOAEWLP-LLVKDONJSA-N	304.325	1.960	50	20	DDGD	
Cc1nn(C(C)C)cc1C(=O)NNC(=O)N=c1cc[nH]cc1	848044392	IKMHVVNQLJYZBL-UHFFFAOYSA-N	302.338	1.056	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Cc1ccncc1	920768254	ILUKCMHOXWZDIM-LLVKDONJSA-N	317.320	1.378	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNC(=O)c1ccccc1)c1cnn(C)c1	927411884	CIIITLPDXJIHGD-CQSZACIVSA-N	315.377	1.761	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C[C@@H](C)COC	755035864	HOPHCQHVNZHMNZ-GFCCVEGCSA-N	324.377	1.284	50	20	DDGD	
COc1ccc(C[C@H](C)CNC(=O)NNC(=O)C(C)C)cc1	758965947	WEJDNAZZHHIQBA-LBPRGKRZSA-N	307.394	1.860	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)c2ccc(C#N)cc2)[C@@H]1C	858918251	DRMGEUQZVZMEEY-FBKDDSFISA-N	301.346	1.379	50	20	DDGD	
CCCOc1ccc(C(=O)NN=Cc2cn(C)nn2)cc1OC	755565260	FNSDIVZSEGATOK-UHFFFAOYSA-N	317.349	1.376	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1occc1Br	751362027	IMPIKUANUAWSJC-UHFFFAOYSA-N	304.144	1.786	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2nc(C)c(C)[nH]2)cc1OC	853261070	DBAOMJQFNUEFIW-UHFFFAOYSA-N	302.334	1.808	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NNc2ccc(Cl)nn2)C1	857860200	SBWHLKFMTLLTSF-IONNQARKSA-N	306.757	1.662	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H]1CC(=O)NC(=O)N1	854577714	CQIFHZFCCWEFNT-NSHDSACASA-N	304.350	1.160	50	20	DDGD	
O=C(N=c1cc[nH]cc1[N+](=O)[O-])NNC(=O)c1ccccc1F	757805067	AHAXLZTWFCRHMM-UHFFFAOYSA-N	319.252	1.017	50	20	DDGD	
COC[C@H](C)CC(=O)NNc1nc2ccccc2c(=O)n1C	755370290	IAJDDDPIZZHJOX-SNVBAGLBSA-N	304.350	1.049	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)C1[C@H]2CCCCCC[C@H]12	854377477	QFZULRYITOHRAY-STQMWFEESA-N	302.378	1.873	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NNC(=O)CC(C)(C)C)c1	858706431	VUUBWIGZQUXBLL-UHFFFAOYSA-N	312.395	1.468	50	20	DDGD	
CN(NC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]21)c1ccccc1	856762680	ORMSPLLODLUMEK-KFWWJZLASA-N	301.390	1.849	50	20	DDGD	
CCCn1nccc1C=NNC(=O)C(=O)Nc1ccc(C)cc1	853279996	ABEWXIINDUUADU-UHFFFAOYSA-N	313.361	1.690	50	20	DDGD	
Cc1nn(C)cc1[C@@H](C)NC(=O)NNc1ncc(Cl)cn1	856863861	BIQSKESPIHGAFK-SSDOTTSWSA-N	309.761	1.559	50	20	DDGD	
C[C@H]1SCCN(C(=O)NNC(=O)c2cccc(F)n2)[C@@H]1C	852709775	FMWPQRARUFLUAE-RKDXNWHRSA-N	312.370	1.401	50	20	DDGD	
NC(=O)C1(C(=O)NNc2nc3ccc(Cl)cc3s2)CC1	856234126	NLTONUUROHRKFB-UHFFFAOYSA-N	310.766	1.658	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)Cc2ccc3ccccc3c2)CCOC1	757848785	QTORZHRPADGVEL-SFHVURJKSA-N	312.369	1.956	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1Cl	928340853	GJKBKQQKYGQKQJ-MRVPVSSYSA-N	305.787	1.029	50	20	DDGD	
O=C1CC[C@@]2(C(=O)NNc3ccc(Cl)cn3)SCCN12	856095236	IRNTVULXROBJRZ-LBPRGKRZSA-N	312.782	1.244	50	20	DDGD	
COc1cnc(C(=O)NC[C@@]2(C)C[C@H]2Br)nc1	857387868	NWBNGAWMTZBKJX-LDYMZIIASA-N	300.156	1.389	50	20	DDGD	
Cc1cc(Oc2ccccc2)ccc1NC(=O)NNC(=O)CO	756495510	KEOLDDLFANYVRU-UHFFFAOYSA-N	315.329	1.932	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNc2cc(F)ccc2C)c(=O)n1	855369454	MWHWPAODFHRSFV-UHFFFAOYSA-N	304.325	1.451	50	20	DDGD	
Cc1ccc2c(c1)C(=NNC(=O)[C@@H]1CN3CCC[C@@H]3CO1)CC2	853387521	CGDAOHRNLQEZFX-PBHICJAKSA-N	313.401	1.625	50	20	DDGD	
CSCc1ccc(NC(=O)NNC(=O)c2cnccn2)cc1	756331020	OMDLXMOXMLCGNT-UHFFFAOYSA-N	317.374	1.806	50	20	DDGD	
COC(=O)Nc1ccccc1C(=O)NNC(=O)CC(F)(F)F	855001218	DXKSHWLCTFCYDH-UHFFFAOYSA-N	319.239	1.578	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2cccc(C(=O)OC)c2C)n1	855624165	DFMVNTZCLBKDPK-UHFFFAOYSA-N	317.349	1.458	50	20	DDGD	
CCOc1cncc(C=NNC(=O)c2ccnc(N(C)C)c2)c1	857207593	HLXJMQMICKBXDG-UHFFFAOYSA-N	313.361	1.705	50	20	DDGD	
C[C@@H]1CN(C2CC2)CC1=NNC(=O)[C@@H]1COc2ccccc2O1	755881203	VVFQFRHZMZGFOL-BZNIZROVSA-N	315.373	1.413	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1ccc(C(F)F)nc1	853337732	QWHWFQAVCWPZDE-UHFFFAOYSA-N	311.336	1.700	50	20	DDGD	
Cc1ccn2cc(C(=O)NN=c3cc[nH]cc3Cl)nc2c1	757413460	IGNNFBIFGBLSSB-UHFFFAOYSA-N	301.737	1.870	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCOC2CCC2)c1C	853798975	VRHHUZYEMGBZIQ-UHFFFAOYSA-N	321.377	1.977	50	20	DDGD	
CSc1ccc(O)c(C(=O)NNC(=O)[C@H]2CCCCO2)c1	854683210	LTEWQZGLTJQITB-GFCCVEGCSA-N	310.375	1.444	50	20	DDGD	
C[C@](O)(CC(=O)NNC(=O)OCC(F)(F)F)c1ccccc1	856022401	BLHLXXSGRAKBNK-LBPRGKRZSA-N	320.267	1.604	50	20	DDGD	
C[C@@H](NNC(=O)c1ccnc(O[C@H]2CCOC2)c1)C(F)(F)F	862318587	RJWYXQUSDIEWLL-SCZZXKLOSA-N	319.283	1.435	50	20	DDGD	
O=C(NN=Cc1ncccc1C(F)(F)F)N1CCOCC1	765571026	HNJDHPOSJUVQMO-UHFFFAOYSA-N	302.256	1.476	50	20	DDGD	
C[C@H]1CCCN(C(=O)C(=O)NNc2cc(C#N)cc(Cl)n2)C1	768158418	UNKMRRIOVIZJFC-VIFPVBQESA-N	321.768	1.308	50	20	DDGD	
Cc1noc(CCCNS(=O)(=O)CC(C)(C)CCl)n1	866718898	QBXVCWBUGOZGGS-UHFFFAOYSA-N	309.819	1.495	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CCO[C@H](C)CC(C)C)n[nH]1	869013993	LQMBSKBKTJIORY-GFCCVEGCSA-N	310.398	1.249	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1cccc2nsnc12	861601698	ZYUUNTJQYMPCPJ-JTQLQIEISA-N	321.362	1.413	50	20	DDGD	
CC(=O)NNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1	767402543	BJQSRIMKHJUEBK-GFCCVEGCSA-N	307.350	1.420	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)/C=C/c1cccc(Cl)c1	768865494	BRNJNBGIWBGVKR-VOTSOKGWSA-N	302.783	1.917	50	20	DDGD	
O=C(NN=Cc1ccc(F)c(Cl)c1Cl)C(=O)NC1CC1	761787267	YSCASPDTGSRXEH-UHFFFAOYSA-N	318.135	1.861	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2nc(Cl)sc2C)n1	762893937	VWNJNXCRSVUZDQ-UHFFFAOYSA-N	313.770	1.969	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cnn(CC3CC3)c2)n1	868908512	WWTJDFBCHKVISX-UHFFFAOYSA-N	306.757	1.802	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc(-c2ccccc2)cc1F	763511406	CLOGDLVUWHCZGE-UHFFFAOYSA-N	315.304	1.599	50	20	DDGD	
O=S(=O)(CBr)NCCc1ccc2c(c1)OCO2	769935049	HKYROMXVLLNHKU-UHFFFAOYSA-N	322.180	1.230	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2snnc2C2CC2)c1	862479230	HWVMXCREJLRWSR-UHFFFAOYSA-N	308.388	1.860	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC(CCC(N)=O)CC1	867041169	NSWZOYAARIFEFU-UHFFFAOYSA-N	324.874	1.559	50	20	DDGD	
Cc1nn(CC(F)F)c(C)c1C(=O)NNC(=O)NC(C)C	760858694	DDEGYHWXVZYJJX-UHFFFAOYSA-N	303.313	1.117	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C2CCCC[C@H]2N2CCCCCC2)N1	863149065	QCLNNDLRQLWSFG-HUUCEWRRSA-N	320.437	1.556	50	20	DDGD	
O=C(NN=C1CCN2CCC[C@H]12)c1nnc(-c2ccccc2)o1	765573241	XXAYKTUXUMZFCT-CYBMUJFWSA-N	311.345	1.691	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccccc1C(C)C	1118463468	SIBUFGGEKWMYGE-NSHDSACASA-N	306.362	1.913	50	20	DDGD	
COc1cc(C(C)=NNC(=O)NCC2CC2)c(OC)cc1O	763163960	SZIVGPPOZIPSMR-UHFFFAOYSA-N	307.350	1.843	50	20	DDGD	
Cc1cccc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)c1N	771903693	VZCPIJPDBPNFOA-LLVKDONJSA-N	321.377	1.316	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1nc(C2CCOCC2)cs1	879553940	GVLQWOLACVZOBL-UHFFFAOYSA-N	314.367	1.772	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1nc(-c2ccc(F)cc2)cs1	772403909	FUTZQUZWOCNZQD-UHFFFAOYSA-N	322.365	1.842	50	20	DDGD	
O=C(NNc1ccc(F)cc1)N[C@@H]1CCO[C@@]2(CCOC2)C1	771442974	NVTGMXUVXBHKCO-HIFRSBDPSA-N	309.341	1.790	50	20	DDGD	
CN(C)CCCNC(=O)NNC(=O)c1nc2ccccc2s1	872801714	SYOXMFDUARXQBY-UHFFFAOYSA-N	321.406	1.192	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1ccc(Cl)cn1	774378827	OCROKSJDWDVRPG-UHFFFAOYSA-N	320.736	1.598	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@H]1CCc2ccccc21	772134270	ATSHYLNUBVHICB-WCQYABFASA-N	318.373	1.596	50	20	DDGD	
CCN(CC(=O)NNC(=O)C(C)(C)C)Cc1ccccc1F	1116324405	KKNWOLZWVXGXQY-UHFFFAOYSA-N	309.385	1.841	50	20	DDGD	
CN1CCC(=O)Nc2cc(C(=O)NCCCSC#N)ccc21	773593555	KSUOAYNXTOOZES-UHFFFAOYSA-N	318.402	1.799	50	20	DDGD	
CC(C)C(=O)NNC(=O)NC[C@H]1COC2(CCCCCC2)O1	776951938	JIPQFQGFZACHIB-LBPRGKRZSA-N	313.398	1.439	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)[C@@H](C)c1ccc(OC)cc1	779823381	OJKYQKCCBCCKTC-SNVBAGLBSA-N	307.350	1.647	50	20	DDGD	
Cc1ccc(C[C@@H](C)C(=O)NNC(=O)c2c[nH]nc2C)cc1	778712298	HGLLZSIQLAUCCM-LLVKDONJSA-N	300.362	1.666	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCOc1ccccc1CC	887149092	IYZLLHZZPIRASG-UHFFFAOYSA-N	302.374	1.969	50	20	DDGD	
O=[N+]([O-])c1cccc2c1CCN2S(=O)(=O)CCCCl	881910706	XYZDRQFURUXLPE-UHFFFAOYSA-N	304.755	1.916	50	20	DDGD	
CCC1(O)CCC(NC(=O)NNc2ccc(Cl)nn2)CC1	772081014	IJHHEFOQXYVHDE-UHFFFAOYSA-N	313.789	1.840	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(C)n([C@@H](C)CC)n1	772240332	JTNJPRJVFMSFBJ-GXSJLCMTSA-N	324.381	1.265	50	20	DDGD	
Cc1cnccc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	770208277	KXVHUIXOJDJGTH-LLVKDONJSA-N	317.320	1.758	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(C)n(C)c2C)cc1O	882049631	CXHIAAZMNAKQNY-UHFFFAOYSA-N	301.346	1.731	50	20	DDGD	
O=C1COc2ccc(C=NNC(=O)NCC(F)(F)F)cc2N1	788715277	WMNWZNBSMGQMGE-UHFFFAOYSA-N	316.239	1.213	50	20	DDGD	
Cc1ccc(CO[C@@H](C)C(=O)NNC(=O)c2cccnn2)cc1	882056541	YGDGMJWVFFTECY-LBPRGKRZSA-N	314.345	1.151	50	20	DDGD	
CN(C)C1(C(=O)NNc2nnc(-c3ccccn3)s2)CCC1	788567379	KYEOJHINPWCWIU-UHFFFAOYSA-N	318.406	1.528	50	20	DDGD	
CS(=O)(=O)Nc1ccc(C(=O)N2CC=C(C#N)CC2)cc1	780688207	ZFHUEFNZLBLQKB-UHFFFAOYSA-N	305.359	1.354	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc2c(c1)CC(C)(C)O2	887150391	IZNJOIRFHDCHEB-UHFFFAOYSA-N	300.358	1.965	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCS1)c1ccc2c(c1)OCO2	783030676	NIYVVOBNNVQBSD-GFCCVEGCSA-N	308.359	1.462	50	20	DDGD	
O=C(C1CCC(Cl)CC1)N1CCO[C@H](Cn2ccnn2)C1	1123833980	VBKMZOBMQJVTPJ-BPCQOVAHSA-N	312.801	1.303	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ncncc2Cl)ccc1F	782167510	XHGCTLPAIRRUFS-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
CCC[C@H](CCCS(C)(=O)=O)C(=O)NNC(=O)C(C)(C)C	789897677	OKMWHEBGUVWZSG-LLVKDONJSA-N	320.455	1.421	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(O[C@@H]2CCOC2)cc1	788744204	XCCXGMSNZMIHQN-CQSZACIVSA-N	321.377	1.598	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1c[nH]nc1-c1ccoc1	789931031	MXWOJTVBXWAMIB-UHFFFAOYSA-N	311.301	1.068	50	20	DDGD	
Cc1cc(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)on1	788253163	FXIHCYTVDBDTDW-UHFFFAOYSA-N	303.322	1.833	50	20	DDGD	
CSc1ccc(CCC(=O)NNc2nccn(C)c2=O)cc1	896033656	NCIRVLFLBCCOIZ-UHFFFAOYSA-N	318.402	1.578	50	20	DDGD	
CCN1CC[C@@H](N(C)S(=O)(=O)CBr)C[C@@H]1C	782456254	XOJQVZBNUGDSIK-VHSXEESVSA-N	313.261	1.473	50	20	DDGD	
CCOc1ccc(N2CCN(C[C@@H]3[C@H](C)[C@H]3Cl)CC2)nn1	895466365	RZNGRVJAIIQDTK-YWPYICTPSA-N	310.829	1.871	50	20	DDGD	
CC(C)[C@@H]1C[C@H](CC(=O)NNc2ccnc(N(C)C)n2)CCO1	782118791	WFNQLDJPMLWZBK-OLZOCXBDSA-N	321.425	1.827	50	20	DDGD	
Cn1nc(CNS(=O)(=O)CCCCl)c2ccccc21	882068379	VEVQSDFUXZLXRV-UHFFFAOYSA-N	301.799	1.622	50	20	DDGD	
Cc1cc(NNC(=O)C[C@H]2CC(=O)Nc3ccccc32)ncn1	894966644	SLLNHLQDBXOKKT-LLVKDONJSA-N	311.345	1.744	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc(-c2ccccn2)no1	899996418	KTFMNJPEHOXPOJ-UHFFFAOYSA-N	319.390	1.644	50	20	DDGD	
C[C@H]1CC[C@H](CNC(=O)NNc2ccc(-n3cccn3)nn2)C1	793464443	AMUOTDMBXOVYIG-RYUDHWBXSA-N	315.381	1.725	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(C#N)s2)o1	797816082	FPZWBANMWFCDME-UHFFFAOYSA-N	311.344	1.145	50	20	DDGD	
N#C/C(=C/c1cc(Cl)c2c(c1)OCCCO2)S(N)(=O)=O	799894398	UBDOKLTYLQPAKR-WTKPLQERSA-N	314.750	1.654	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](Cn1ccnc1)c1ccccc1	890243476	MTDBBKHASKAULR-CYBMUJFWSA-N	317.349	1.537	50	20	DDGD	
CC(C)N1CCN(CCCOC(=O)/C(C#N)=C\C2CC2)CC1	792221492	UYRXBOVBWYNXPK-VBKFSLOCSA-N	305.422	1.806	50	20	DDGD	
COCCn1ccc(C(=O)NNc2ccc(Cl)c(OC)c2)n1	790180151	HFARAQYWLKSCRI-UHFFFAOYSA-N	324.768	1.948	50	20	DDGD	
CC(C)CO[C@H]1CC(=NNC(=O)N2CCN(C)CC2)C1(C)C	790173570	IRKFBRKKMPLREP-AWEZNQCLSA-N	310.442	1.771	50	20	DDGD	
CCCCOc1cc(OCCC)ccc1C(=O)NNC(=O)CO	792416709	CPAWKAZOLUCXNB-UHFFFAOYSA-N	324.377	1.408	50	20	DDGD	
Cn1cc(C(=O)CCC(=O)NNc2ccc(Cl)nc2)cn1	795147405	DKHBXRWQEBZLKA-UHFFFAOYSA-N	307.741	1.575	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCC(CC#N)CC2)n1	793219630	BLEROSJURCVQHR-UHFFFAOYSA-N	301.350	1.370	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H](NC1CCOCC1)C(C)C	792515436	VAVGDTPFNJRRFR-CQSZACIVSA-N	306.410	1.626	50	20	DDGD	
C[C@@H]1OCC[C@]1(O)CNC(=O)[C@@H](Br)C(C)(C)C	790256232	ZKJZTIPXOSOPJN-SBMIAAHKSA-N	308.216	1.452	50	20	DDGD	
CC(C)OCCS(=O)(=O)NNC(=O)c1ccccc1Cl	1319364990	MCHVCAJEZGKRJO-UHFFFAOYSA-N	320.798	1.329	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H](C)OC[C@@H]2CCCO2)cc1	1318035403	WUKXWJCEBZGBBM-FZMZJTMJSA-N	322.361	1.040	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)c1cnccn1)c1ccccc1Cl	1318913788	AFNPFYOBMFJTKW-LBPRGKRZSA-N	320.736	1.279	50	20	DDGD	
NNC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F	1580358677	QPFNWYIMCPYLLQ-JTQLQIEISA-N	319.283	1.614	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H](C)c1ccc(F)c(F)c1	1318696430	JPKVOYQPAVWMBC-MRVPVSSYSA-N	301.362	1.972	50	20	DDGD	
COC(=O)C(=O)NN=Cc1cc(Cl)c2c(c1)OCCCO2	1323496900	QSQNNUZULQPWPV-UHFFFAOYSA-N	312.709	1.124	50	20	DDGD	
C[C@@H](NCC(=O)NNC(=O)C1CC1)c1ccc(Cl)c(F)c1	1320051915	KSDMDDATJTWQOI-MRVPVSSYSA-N	313.760	1.687	50	20	DDGD	
O=C(NCc1cccnn1)NNC(=O)c1cccc2ncccc12	1320863136	NHROPOWLOQONTF-UHFFFAOYSA-N	322.328	1.169	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ncc(Cl)s2)c(O)c1	1321193798	PFQXTAGIFMTZAD-UHFFFAOYSA-N	311.750	1.885	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C[C@H](C)n2cccn2)cc1	1326147967	WWTNIYSTPJULOM-NSHDSACASA-N	302.334	1.304	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@@H](OC)C2CC2)cc1	1324736672	PBDDRLSZLFZKAH-CYBMUJFWSA-N	307.350	1.064	50	20	DDGD	
CC1(C)OC[C@@H](CNC(=O)NNc2ccc(C(C)(C)C)nn2)O1	1325187631	XVKJEUVSWZCVAW-SNVBAGLBSA-N	323.397	1.552	50	20	DDGD	
CCN(CCOC)c1nnnn1C[C@@]1(C)C[C@@H]1Br	1337712899	AWIJOJFQHJZAJX-GXSJLCMTSA-N	318.219	1.319	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1ccccc1NS(C)(=O)=O	1337561499	ATSCBDPOTAWAKN-ZRDIBKRKSA-N	323.374	1.118	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2CC[C@H]3C[C@H](C)CN3C2)n1	1346610819	AKJNQEWOQQDTHN-UHTWSYAYSA-N	319.409	1.357	50	20	DDGD	
COc1ccc(C(=O)CCC(=O)NNc2cccnn2)cc1	1342264124	UEEPHSOHLCXGKL-UHFFFAOYSA-N	300.318	1.591	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCCCc1cccc(O)c1	1348580852	OIOFIKGZXGSDPA-UHFFFAOYSA-N	323.393	1.472	50	20	DDGD	
COc1cc(F)c(C(=O)NNC(=S)NC(C)(C)C)c(F)c1	1350831284	PWIRBUJAFVPPMD-UHFFFAOYSA-N	317.361	1.881	50	20	DDGD	
Cc1ccc2c(c1)S[C@H](C(=O)NNC(=O)C1CCOCC1)C2	1354128353	LACNQPGKGNPEQH-AWEZNQCLSA-N	320.414	1.586	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H]2CC[C@@H]3C[C@H](C)CN3C2)n1	1350882660	YDNDNLFZQNXYSV-QJPTWQEYSA-N	305.382	1.049	50	20	DDGD	
O=C(CCCn1ccc(C(=O)O)n1)NNc1ncccc1Cl	1601273657	MIJLKFUFRQCBOC-UHFFFAOYSA-N	323.740	1.553	50	20	DDGD	
O=C(O)CSCCC(=O)NNC(=O)c1ccccc1Cl	1602098762	ZPIIKFKJTWXGCB-UHFFFAOYSA-N	316.766	1.309	50	20	DDGD	
CC(C)C[C@@H](CN)NC(=O)NNc1cccc(C(=O)O)c1F	1603769526	CYAMAMZIOUXKDU-VIFPVBQESA-N	312.345	1.523	50	20	DDGD	
Cc1ccc(C(=O)NN=C2CCCn3nc(C(=O)O)cc32)o1	1607733117	AWPAJZYQFASREI-UHFFFAOYSA-N	302.290	1.411	50	20	DDGD	
O=C(/C=C\COC1CCOCC1)NNc1ccccc1C(=O)O	1608282704	ZGGOVGILSZXOAP-UTCJRWHESA-N	320.345	1.580	50	20	DDGD	
COc1ccccc1CC(=O)NN=C1CCC[C@@H](C(=O)O)C1	1607340150	HBSVECAHTUZTJW-GFCCVEGCSA-N	304.346	1.985	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)c1cccc2ncnc(O)c12	1602472355	CNKAYOSANXOIFY-UHFFFAOYSA-N	324.296	1.791	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1cn(-c2ccccc2)nn1	1610699631	GELXQEQKPSYTSQ-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
CN(C)c1ccc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)s1	1549315185	LPRUPBWGJAQAME-WCQYABFASA-N	322.434	1.127	50	20	DDGD	
N#CC1=CCN(C(=O)Cc2csc(N3CCCC3=O)n2)CC1	1645641116	BMUNUGHFSZSAGG-UHFFFAOYSA-N	316.386	1.495	50	20	DDGD	
N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNc1ncccc1F	1580409707	VUVZTIPGFNFTTJ-CYBMUJFWSA-N	313.336	1.715	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cc(C(=O)O)on2)c1C	1598999858	SSUIPEJLKIBXPG-UHFFFAOYSA-N	319.273	1.225	50	20	DDGD	
Cc1[nH]c(C=NNC(=O)c2ccc(CN(C)C)o2)cc1C(=O)O	1599960720	WJFNVACXNIXVGY-UHFFFAOYSA-N	318.333	1.440	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@](C)(C#N)CC(=O)O)ccc1F	1593880831	AYBBLMSEVAYIHI-AWEZNQCLSA-N	323.280	1.060	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1nc2c(s1)CC[C@@H](C(=O)O)C2	1596509176	CDHIFLCZUDXXOZ-KGOFQHAKSA-N	321.358	1.715	50	20	DDGD	
COCc1cncc(C(=O)NNc2ccc(CC(=O)O)cc2)c1	1599298691	QNOJUIYHVJWYFD-UHFFFAOYSA-N	315.329	1.612	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNc1cccc(C(=O)O)c1F	1594126979	UROAMRUCVJPQDA-DTWKUNHWSA-N	308.309	1.972	50	20	DDGD	
Cc1ccc(NNC(=O)c2cccn(CC(=O)O)c2=O)cc1F	1594373101	BMSSOKWAFWKOPO-UHFFFAOYSA-N	319.292	1.137	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)C3CC3)C2)C1	1784910561	OIBSZEMQZQEJEC-IUODEOHRSA-N	314.813	1.244	50	20	DDGD	
C/C=C(\C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Cl)CCO2	1783069424	YCDQIMSHFUOWQU-FYBNRHLVSA-N	318.776	1.317	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)c1cccc(F)c1	17581356	HQOONYQVPISWCU-UHFFFAOYSA-N	312.304	1.857	50	20	DDGD	
CC(=O)NNC(=O)Nc1cc(N2CCCC2=O)ccc1Cl	161715613	BCGHGFWTUHKCKW-UHFFFAOYSA-N	310.741	1.639	50	20	DDGD	
CN(C)c1ccc(C(=O)NNc2ncnc3nc[nH]c23)c(F)c1	162297124	XLHHQPLZODVLIE-UHFFFAOYSA-N	315.312	1.315	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1cccc(F)n1	162554402	GBHFRQDGTOMDHG-UHFFFAOYSA-N	303.293	1.199	50	20	DDGD	
O=C(NNc1ccccc1Cl)[C@H]1CC(=O)N(c2cn[nH]c2)C1	158457600	HKMJDMKFWHZSSC-VIFPVBQESA-N	319.752	1.559	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)CCCN1C(=O)CN(C)C1=O	160993251	AHRVCJIQGFKWNM-UHFFFAOYSA-N	322.340	1.251	50	20	DDGD	
N#Cc1ccc(NNC(=O)Cn2c(=O)cnc3ccccc32)cc1	155672137	WKIFKUZLQIGNLS-UHFFFAOYSA-N	319.324	1.411	50	20	DDGD	
CCCCS(=O)(=O)NCC(=O)NNc1ccc(F)cc1C	155283033	NQXYBSFWTLDSGI-UHFFFAOYSA-N	317.386	1.297	50	20	DDGD	
CCCO[C@@H]1CS(=O)(=O)C[C@H]1I	157996059	ANEPCRUPSSQPJK-RNFRBKRXSA-N	304.149	1.014	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@@H](Oc2ccc(B(O)O)cc2)C1	1857776805	NEPCRPQSPFIEJT-CQSZACIVSA-N	321.182	1.145	50	20	DDGD	
Cc1cc(CC(=O)N(C)NC(=O)OCc2ccccc2)on1	862288881	RWOSUNNWKATWJN-UHFFFAOYSA-N	303.318	1.825	50	20	DDGD	
COc1ccc(CN(CC(=O)NNC(=O)C2CC2)C2CC2)cc1	112975994	UIZNNHKOGLMUKW-UHFFFAOYSA-N	317.389	1.217	50	20	DDGD	
C[C@@H]1CCC[C@H](CNC(=O)NNC(=O)Cc2cccnc2)C1	103518774	IXTCVDWZQUTYJC-OLZOCXBDSA-N	304.394	1.781	50	20	DDGD	
CC[C@H](C)[C@H](C(=O)NNC(=O)N1CCOCC1)c1ccccc1	172284080	ZIWVVNGKVMBWQC-ZFWWWQNUSA-N	319.405	1.889	50	20	DDGD	
O=C(CCC1CCOCC1)NNC(=O)COc1ccc(F)cc1	173069610	PUGKIOLHJRDWOE-UHFFFAOYSA-N	324.352	1.559	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H](C)OC[C@H]2CCCCO2)n1	66310680	GZGPLSAEKOPRFP-CHWSQXEVSA-N	308.382	1.511	50	20	DDGD	
CN(CCOc1ccccc1F)C(=O)NNC(=O)C(C)(C)C	109150078	KCESESHUCNWTGC-UHFFFAOYSA-N	311.357	1.923	50	20	DDGD	
CCCN(CC)CCNC(=O)NNC(=O)c1ccccc1OC	175770639	CKOUBSYOFZUKNJ-UHFFFAOYSA-N	322.409	1.371	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ncccn1)N(C)Cc1ccccc1	111875435	KPVPBXAYELXINQ-ZDUSSCGKSA-N	314.393	1.623	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cnc(Cl)cn2)cc1	178173987	GWCNHMUDXJQLKC-UHFFFAOYSA-N	319.752	1.312	50	20	DDGD	
CCCSCC(=O)NNc1nc2ccccc2c(=O)n1C	113187849	FPBUMKMXIQSCEB-UHFFFAOYSA-N	306.391	1.520	50	20	DDGD	
Cc1occc1C(=O)NCC(=O)NNc1ncccc1Cl	114882623	YGYVPKDNUNIRQZ-UHFFFAOYSA-N	308.725	1.510	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2	63270812	XPDJRKVMSSOTLL-QMMMGPOBSA-N	322.390	1.472	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2)CN1C1CC1	119100956	FYMHRQIDQGZEJL-AAEUAGOBSA-N	302.378	1.256	50	20	DDGD	
Cn1nc2ccccc2c1C(=O)NNC(=O)OCC(F)(F)F	1351094879	KAFQPUYNGZJCBP-UHFFFAOYSA-N	316.239	1.507	50	20	DDGD	
C[C@@H]1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C	177872202	KKAIEILQYJTNSF-GHMZBOCLSA-N	320.349	1.086	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1	23234955	URYUABOWTBMHBR-UHFFFAOYSA-N	319.277	1.398	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(C(=O)c2ccccc2)CC1	178948092	NCBBLEGRQFFTRV-FYWRMAATSA-N	313.357	1.415	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1ccnc(F)c1	188176058	MZLYIXPLXAQTCY-UHFFFAOYSA-N	316.321	1.891	50	20	DDGD	
CC[C@@H](C)Oc1cc(C(=O)NNC(=O)c2cccn2C)ccn1	182525118	LPKUVNILEHALSV-LLVKDONJSA-N	316.361	1.672	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(F)c(F)c(O)c2F)n1	183383641	VELYEBGTPOTWNE-UHFFFAOYSA-N	314.223	1.365	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)N[C@@H]1CCC[C@@H]1CCO	188419829	PPNAUGNNPKAATQ-TZMCWYRMSA-N	323.368	1.250	50	20	DDGD	
C[C@H](NC(=O)NNc1nc2ccccn2n1)C1CCOCC1	189588888	YVSQOGXLKCZGEN-JTQLQIEISA-N	304.354	1.171	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2ncc(Cl)cc2Cl)CC1	186951490	AKFXXDGIPMHNHZ-UHFFFAOYSA-N	303.149	1.358	50	20	DDGD	
Cn1cc(C(=O)C(=O)NNc2ccc(OC(F)F)cc2)cn1	122267800	SZNJHTSMHUHTSI-UHFFFAOYSA-N	310.260	1.348	50	20	DDGD	
Cc1ccnc(NNC(=O)c2ccc(-c3ncn(C)n3)cc2)c1	184165543	VJUJDNZZDULQMT-UHFFFAOYSA-N	308.345	1.942	50	20	DDGD	
O=C(CCCNC(=O)C1CC1)NNc1nnc(C2CC2)s1	184463508	WZUUFUMDJKCPBK-UHFFFAOYSA-N	309.395	1.165	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNC(=O)NC1CCCC1	31026189	FZRBVHKHMWUGIN-UHFFFAOYSA-N	302.334	1.210	50	20	DDGD	
Cn1cc(-c2nc(C(=O)NNC(=O)C(C)(C)C)cs2)cn1	77220718	PTFLSZCUQSUTLC-UHFFFAOYSA-N	307.379	1.351	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)c1cccn1C	70718105	NAODJHAHWJZEPF-UHFFFAOYSA-N	317.345	1.264	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccnc(F)c2F)cc1	188863383	FKUURISKYHWJKN-UHFFFAOYSA-N	321.283	1.508	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)N[C@H]1CCCOCC1	183555660	WASRSWBBAXIJQM-HNNXBMFYSA-N	319.405	1.909	50	20	DDGD	
N#CC(C#N)=CN[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O	188567760	FFTRVZJJHIEZTK-HNNXBMFYSA-N	316.311	1.976	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)COC(C)(C)C)c1	181146889	OJDATBWLRPXIJV-UHFFFAOYSA-N	308.378	1.645	50	20	DDGD	
CC[C@@H](OC1CCCCC1)C(=O)NNc1nccn(C)c1=O	133739381	QVCAMRBVWXYRLQ-GFCCVEGCSA-N	308.382	1.351	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)C[C@@H]1C=CCC1	186058938	ARPPMPOEIRUPEB-LLVKDONJSA-N	324.402	1.898	50	20	DDGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(C)CCO)c1C	192653898	RTLNSEMJQXSHEU-BPKVKKHESA-N	319.405	1.670	50	20	DDGD	
CC[C@H](C)NC(=O)CCNC(=O)NNc1cncc(Cl)n1	193800618	HNQOZQGALIENFZ-QMMMGPOBSA-N	314.777	1.061	50	20	DDGD	
N#Cc1cccc(CNC(=O)NNc2nc3ccccn3n2)c1	190945687	HGRTWMHTRPFPLP-UHFFFAOYSA-N	307.317	1.427	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCc1ccoc1	47088846	NTNMHLCDXPRSNY-JTQLQIEISA-N	321.308	1.717	50	20	DDGD	
O=C(NNC(=O)c1ccc2ccccc2n1)Nc1cnns1	192337927	DXFCEKHUAXXKRC-UHFFFAOYSA-N	314.330	1.553	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C\c1cnc2c(c1)c(C)nn2C	191753415	LJXITJDWUCHFSN-SDQBBNPISA-N	304.375	1.966	50	20	DDGD	
CC(C)=CCNC(=O)NNC(=O)Cn1ccc2ccccc21	190629695	ORRCTUJFXYCTGX-UHFFFAOYSA-N	300.362	1.938	50	20	DDGD	
CCOCCCNC(=O)NNC(=O)c1ccc(Cl)cc1F	195080418	FWFOYBWXSXDENX-UHFFFAOYSA-N	317.748	1.850	50	20	DDGD	
Cn1cncc1CCC(=O)NNC(=O)CCCc1ccccc1	193125550	WETRPPHOZOKYJP-UHFFFAOYSA-N	314.389	1.523	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)C[C@@H]2C=CCCC2)C[C@@H](C)O1	249492572	FTDPTHWSUPWMKJ-QLFBSQMISA-N	323.437	1.380	50	20	DDGD	
CC(C)NC(=O)/C(C#N)=C\c1ccccc1OCCC(=O)O	606445594	TUXCOMCIMJISGO-LCYFTJDESA-N	302.330	1.972	50	20	DDGD	
O=C(NN=Cc1ccc(O)cc1)c1ccc(-n2cnnn2)cc1	263631134	HDLZUPCDSLDDSW-UHFFFAOYSA-N	308.301	1.132	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CCc2ccccc21	267148482	GWETZQXAKLHRGC-BXUZGUMPSA-N	321.377	1.056	50	20	DDGD	
COCCOc1ccc(Cl)cc1C(=O)NNC(=O)N(C)C	267155989	OYSLZPZWIJBLAX-UHFFFAOYSA-N	315.757	1.281	50	20	DDGD	
COc1ccc2[nH]cc(CC(=O)NNC(=O)C3CCC3)c2c1	264811163	VVZFBEMQZLIYIB-UHFFFAOYSA-N	301.346	1.667	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H](C)c2cccc(O)c2)n1	278474412	IFVCULSMNOASEH-JTQLQIEISA-N	317.349	1.887	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc(OC(F)F)c1	274382936	GTLRMTDGCHKADI-UHFFFAOYSA-N	302.281	1.986	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@]1(C)CCCOC1	272623385	KHACLLUIIRAPIV-MRXNPFEDSA-N	306.362	1.202	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNc2ccc(-n3ccnc3)nn2)O1	278630054	NAEWEWVWOGHWCS-WDEREUQCSA-N	302.338	1.063	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(Cl)ccn1)n1nnnc1C(C)(C)C	272480129	NAOVUMNAEKVNIC-QMMMGPOBSA-N	323.788	1.723	50	20	DDGD	
COc1ccnc(NNC(=O)c2cccc([C@H]3CCOC3)c2)n1	270524879	SMUFHYUAZDBSMS-ZDUSSCGKSA-N	314.345	1.746	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CCCCN1C(=O)c1ccccc1	367665400	KWEHZNIJXFGROA-CYBMUJFWSA-N	319.361	1.411	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](C)Oc1ccc(SC)cc1	271248069	DBEZKMQMGYZKGM-JTQLQIEISA-N	311.407	1.868	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@H]1CCc2[nH]ncc2C1	270234231	RBTWCIFIQNHBIG-NSHDSACASA-N	324.344	1.708	50	20	DDGD	
CC[C@@H](C)Oc1cccc(NC(=O)NNC(=O)CN(C)C)c1	274254715	WYDZSCWOBDSYRU-LLVKDONJSA-N	308.382	1.578	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2ncccc2F)[C@@]12CCCO2	286913080	UMHUPYCXILFSEJ-JMSVASOKSA-N	324.356	1.573	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2cc3c(s2)CCCC3)CC1	285813214	HRFITFZNSBGCAF-UHFFFAOYSA-N	322.434	1.229	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCc2cc(C)nn2C)cc1	284329394	WMOIJOQKLVDIRD-UHFFFAOYSA-N	315.377	1.435	50	20	DDGD	
CCSCCCNC(=O)NNC(=O)Cc1ccccc1F	282917330	SKCYPMHIBUDAJH-UHFFFAOYSA-N	313.398	1.842	50	20	DDGD	
CC(C)OCCNC(=O)NNc1ccc2c(O)nccc2c1	288293196	SYCCAGVPIKGENB-UHFFFAOYSA-N	304.350	1.992	50	20	DDGD	
COCC1(C(=O)NNc2ccc(C(F)(F)F)nn2)CCC1	285463107	BLUJMZMREDATDV-UHFFFAOYSA-N	304.272	1.755	50	20	DDGD	
O=C(NC[C@@H]1COC2(CCCC2)O1)NNc1ncccc1F	286888016	LUNDWQYNGGOTIA-SNVBAGLBSA-N	310.329	1.533	50	20	DDGD	
CC(C)(C)[C@H]1OCC[C@@H]1C(=O)NNC(=O)/C=C/c1cncs1	281587384	FHKFAKBVDQYUCN-JQBPPHQNSA-N	323.418	1.755	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1ccc([N+](=O)[O-])[nH]1	286965332	LMYTXQZLINENLQ-UHFFFAOYSA-N	302.294	1.737	50	20	DDGD	
CSCc1ccccc1NC(=O)NNC(=O)[C@@H]1CCCO1	297089442	FOVDYWIILJYVPG-LBPRGKRZSA-N	309.391	1.881	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)COC(F)F	802938684	WPPNTDVNCBLUBP-UHFFFAOYSA-N	320.317	1.174	50	20	DDGD	
COCCCn1nccc1C=NNC(=O)c1ccccc1F	802703471	GPBSZYYGYLFLCH-UHFFFAOYSA-N	304.325	1.823	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cc2n(n1)CCO2)c1ccccc1	290929820	YNWXVXCSHMGWBC-UHFFFAOYSA-N	314.345	1.014	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc(OC2CCOCC2)cc1	294280882	VOFCGNLKMYGICL-UHFFFAOYSA-N	318.373	1.806	50	20	DDGD	
CC(C)(C)OCCCC(=O)NNC(=O)CNc1ccccc1	806355471	WEFHPKPDDICBQS-UHFFFAOYSA-N	307.394	1.841	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H]2CCCc3cccnc32)O1	294189498	KDZLRSGHSGWMGO-DRZSPHRISA-N	303.362	1.216	50	20	DDGD	
Cc1cc(C)c(S(=O)(=O)NNC(=O)c2cccn2C)s1	292293981	JRNGTIALAMATJD-UHFFFAOYSA-N	313.404	1.327	50	20	DDGD	
Cn1nc(NC(=O)NNC(=O)c2ccccc2F)cc1C1CC1	290729167	XCHYPCIHHUBZFW-UHFFFAOYSA-N	317.324	1.903	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CS[C@@H]1CCS(=O)(=O)C1	808247030	QYAYGAQYYKWRPD-SSDOTTSWSA-N	320.263	1.169	50	20	DDGD	
CCCN(CC)C[C@@H](C)NC(=O)NNC(=O)c1ccccc1O	290991932	AKLKGNHJBUZTJP-GFCCVEGCSA-N	322.409	1.457	50	20	DDGD	
CC[C@@H](C)[C@@H](C)NC(=O)NNC(=O)COc1ccc(OC)cc1	299150165	FRINUHSCCKLURE-VXGBXAGGSA-N	323.393	1.839	50	20	DDGD	
COCC(=O)NNC(=O)Nc1csc(-c2ccccc2)n1	806731908	MGEANFNAFDKXGM-UHFFFAOYSA-N	306.347	1.609	50	20	DDGD	
N#CCNC(=O)CNC(=O)CCCC[C@@H]1CCSS1	804821644	WVFQQHJLTVFFDP-SNVBAGLBSA-N	301.437	1.456	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@]12CCc1ccccc12)[C@@H]1CCCO1	292164542	OWYHENIHXYGTQW-GRDNDAEWSA-N	300.358	1.217	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccccc2F)c(C2CC2)n1	290862686	QWFZDZIVFDYYSX-UHFFFAOYSA-N	302.309	1.511	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cnc2[nH]c(O)nc2c1	809704665	FCUADUKNCZKABF-UHFFFAOYSA-N	323.234	1.838	50	20	DDGD	
CC(C)(C#N)c1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1	292064131	CXSYGUBSYBILMO-ZDUSSCGKSA-N	301.346	1.428	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)CCCc1ccccc1)C1CC1	291659361	JANQSUBWIREGST-KRWDZBQOSA-N	304.390	1.972	50	20	DDGD	
C[C@H]1CCC[C@@H](C)N1CC(=O)NNC(=O)c1ccc(F)cc1	299256782	LCDWOTVWJTUCOS-TXEJJXNPSA-N	307.369	1.850	50	20	DDGD	
N#Cc1cccc(-c2cc(C(=O)NNC(=O)CC3CC3)on2)c1	294075002	HJOXPVPRJLOHGC-UHFFFAOYSA-N	310.313	1.774	50	20	DDGD	
COC(=O)Cc1occc1C(=O)NNc1ccc(F)cc1OC	816338182	YZAASTSIHQWAGX-UHFFFAOYSA-N	322.292	1.900	50	20	DDGD	
CO[C@](C)(CNC(=O)NNC(=O)Cc1ccccc1C)C1CC1	812922541	FZNPFDSZVQTXGC-QGZVFWFLSA-N	319.405	1.683	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNc1nnc(-c2ccccn2)s1	811390591	WQIDGICGMQNZAH-CYBMUJFWSA-N	305.363	1.370	50	20	DDGD	
C=CCCn1cc(C(=O)NNC(=O)NC2CCCCC2)nn1	819004420	NWAUQDQVYPXKSS-UHFFFAOYSA-N	306.370	1.131	50	20	DDGD	
O=C(COc1ccccc1O)NN=C1COc2ccc(F)cc21	814951856	ZCPBCSPZZIEFEF-UHFFFAOYSA-N	316.288	1.823	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=C1CC(C(=O)O)(c2ccccc2)C1	814957445	GKAKLZPDWMWTRO-UHFFFAOYSA-N	312.329	1.241	50	20	DDGD	
Cc1ccc(C)c2c1NC(=O)C2=NNC(=O)N=c1cc[nH]cc1	814999768	AABQVBXCXIAJTN-UHFFFAOYSA-N	309.329	1.598	50	20	DDGD	
CCC1(CC)C(=O)NCCC1=NNC(=O)c1cccc(C)n1	819809877	QMUSACJNVJWPMB-UHFFFAOYSA-N	302.378	1.802	50	20	DDGD	
Cn1ncc(C=NNC(=O)CCN2CCCCCC2)c1Cl	814757946	CTTBEWMSTNGSNY-UHFFFAOYSA-N	311.817	1.790	50	20	DDGD	
CC(C)CO[C@@H](C)C(=O)NNC(=O)Cn1ccc2ccccc21	729454568	VQHCRBDZSPRKKV-ZDUSSCGKSA-N	317.389	1.850	50	20	DDGD	
CCc1cccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1O	825717429	KNBNILSNYXJZQK-UHFFFAOYSA-N	324.344	1.892	50	20	DDGD	
Cc1noc(CNC(=O)NNC(=O)c2cc3c(s2)CCC3)n1	727230147	AGGWXFUPKAQKNY-UHFFFAOYSA-N	321.362	1.072	50	20	DDGD	
Cc1nnc(NNC(=O)C[C@H](C)c2ccccc2F)nc1O	726797853	CVBSYQMCEDZPFC-QMMMGPOBSA-N	305.313	1.662	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@@H]1C[C@H]2C=C[C@H]1CC2	826984695	OFCXCHNYLXPRIP-HTVCTNPSSA-N	307.394	1.344	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccc(F)cc1	825930191	QMVMCOTVHBKYIH-JTNHKYCSSA-N	323.368	1.685	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCO[C@@H](c3ccccc3)C2)cn1	491160541	LMXKBAGNQLYJEW-VHEJECIDSA-N	322.368	1.927	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)N[C@@H]1C=CCC1	821091766	FUGMCLUPNVHBPW-GHMZBOCLSA-N	307.325	1.642	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	491053435	YLDAGCBTIJQJSS-POHAHGRESA-N	302.246	1.712	50	20	DDGD	
Cc1ncsc1CNC(=O)NNC(=O)c1ccccc1F	729231884	BWYTUPOCXTZHHR-UHFFFAOYSA-N	308.338	1.735	50	20	DDGD	
O=C(NN=Cc1ccc(-c2nn[nH]n2)o1)c1cccc(Cl)c1	823273496	PKVPRXIAEOQLIC-UHFFFAOYSA-N	316.708	1.877	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2ccc(O[C@@H](C)C#N)cc2)n[nH]1	727684037	UGDMLOFFGRYHAL-LBPRGKRZSA-N	311.345	1.702	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1	823950842	FSFIONRGYJGOGU-DYVFJYSZSA-N	319.405	1.025	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)[C@H]1CCC[C@@H](C)C1	826939994	DHVFBUCQFQGWEW-IKOXMDCHSA-N	311.426	1.957	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1csc(Cc2cccc(F)c2)n1	823939219	HBDYPTIZKQAHLK-JTQLQIEISA-N	323.393	1.830	50	20	DDGD	
CN(C)C(=O)NNS(=O)(=O)/C=C\c1ccccc1Cl	727362284	PVCODWLDXKUMBU-FPLPWBNLSA-N	303.771	1.416	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)C1(O)CCCCC1	826446667	UECZTPMRERHABG-UHFFFAOYSA-N	302.338	1.005	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)C2CC2)c(Cl)c1OC	822192236	FJYQSHHOQGEWTO-UHFFFAOYSA-N	312.753	1.457	50	20	DDGD	
CCc1nc([C@H](C)NC(=O)[C@]2(C)C[C@@H]2Br)n[nH]1	823484747	VWMUXDGTGLNVBE-OKTBNZSVSA-N	301.188	1.718	50	20	DDGD	
CC(C)[C@@H]1CC[C@@H](C)CCN1C(=O)c1cccc(B(O)O)c1	584950786	ZKTAMJWUPIVLKI-CJNGLKHVSA-N	303.211	1.653	50	20	DDGD	
O=C(CN1CCCC1=O)NNC(=O)c1sccc1C1CC1	827831825	LLTCKFSADIXQJK-UHFFFAOYSA-N	307.375	1.009	50	20	DDGD	
CNC(=O)NN=C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C	495653876	DBQAOVOFDHOGDU-SSDOTTSWSA-N	312.292	1.747	50	20	DDGD	
C[C@H]1SCC[C@H]1NC(=O)NNC(=O)Cc1ccccc1F	827642950	IINHPEOBKIZKNU-BXKDBHETSA-N	311.382	1.593	50	20	DDGD	
COC1CCN(C(C)(C)CNC(=O)NNc2ccccn2)CC1	730829121	HNZZTLPRJFJMHF-UHFFFAOYSA-N	321.425	1.597	50	20	DDGD	
CCC/C=C/C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	825261388	YMINSAIAXJLRRT-SNAWJCMRSA-N	307.745	1.715	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2CC[C@H](C)C2)o1	824899761	NYGCLEVGPWDNTE-DTWKUNHWSA-N	319.369	1.857	50	20	DDGD	
Cc1cccc(NNC(=O)c2ccc(CS(C)(=O)=O)o2)c1	731784373	NWBLTVYLAQABIL-UHFFFAOYSA-N	308.359	1.890	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCOC1CCCCCC1	735762199	HUPSWDPSBVXVAP-UHFFFAOYSA-N	301.387	1.093	50	20	DDGD	
C[C@@H](C[C@H](O)c1ccc(F)cc1)NCc1ccccc1B(O)O	585033608	FQZBNVPNDANOFP-SJCJKPOMSA-N	317.169	1.107	50	20	DDGD	
C[C@H](O)[C@H]1CCCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C1	490876589	KITHKRXDIRZAOO-MBZALIHDSA-N	300.358	1.919	50	20	DDGD	
O=C(c1c[nH]nc1-c1cccc(Cl)c1)N1CC[C@@H](B(O)O)C1	585071671	YXUSLMPYEMIYRB-SNVBAGLBSA-N	319.557	1.419	50	20	DDGD	
CS(=O)(=O)c1cc(C(=O)NCC(Cl)Cl)ccc1F	837646801	XBCMUXZMJYFALV-UHFFFAOYSA-N	314.165	1.763	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CCSC2)c1F	838495846	KGUYBKBHFUBTMU-QMMMGPOBSA-N	313.354	1.744	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)NCCC1=CCCCC1	837307441	LYRKJLBJSUTIMY-UHFFFAOYSA-N	303.366	1.730	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1cc(Cl)cc(C(N)=O)c1OC	490942420	OEJKFTQHQXUWFL-FPLPWBNLSA-N	323.736	1.830	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)OC(C)(C)C)n1nnnc1C(C)(C)C	495307091	MOSHPJVJQYWMNO-QMMMGPOBSA-N	312.374	1.088	50	20	DDGD	
O=S(=O)(CCl)NC1(c2ccc(F)cc2)CCOCC1	830568919	MBAMQQUSDJJKKM-UHFFFAOYSA-N	307.774	1.947	50	20	DDGD	
Cc1cc(NNC(=O)c2cnc3c(cnn3C(C)C)c2)ncn1	734253575	JQVVHZKQOQUQKR-UHFFFAOYSA-N	311.349	1.868	50	20	DDGD	
CCC(Cc1cccs1)=NNC(=O)[C@H](C)NS(C)(=O)=O	730952111	SFGZZHCXEDVNGA-VIFPVBQESA-N	317.436	1.111	50	20	DDGD	
O=S(=O)(CCl)N(Cc1ccccc1O)C[C@H]1CCCO1	830599009	FGBBLHYPIHSCEV-GFCCVEGCSA-N	319.810	1.899	50	20	DDGD	
CC[C@@H](O)[C@@H](C)C(=O)NNc1ccnc(Br)c1	907449917	SZPXSQQQROPHFY-VXNVDRBHSA-N	302.172	1.694	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(O)cc1	836810817	GRFHJAKZJICNAE-NZETUCKYSA-N	314.341	1.757	50	20	DDGD	
CO[C@H](CNCc1cccc(B(O)O)c1)c1cccc(Cl)c1	585026668	JLIMHODEUFLHBT-MRXNPFEDSA-N	319.597	1.497	50	20	DDGD	
O=C(NCc1ccco1)NNC(=S)NC(C1CC1)C1CC1	734758008	JXTMYAUKVWKEKS-UHFFFAOYSA-N	308.407	1.647	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H](CC(C)C)C(N)=O)cc1	839464074	GQQQWUWABVYJHE-CYBMUJFWSA-N	305.378	1.158	50	20	DDGD	
O=C(Cn1cc(C2CC2)cn1)NNc1cccc(F)c1[N+](=O)[O-]	834736803	XMDQWXWYRDUQDM-UHFFFAOYSA-N	319.296	1.951	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1	830689667	ATUFUODAVARZND-ZIAGYGMSSA-N	304.390	1.879	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cnc(C)n1C)c1ccccc1	900654837	DFSOZCXLYBYSFF-CYBMUJFWSA-N	300.362	1.683	50	20	DDGD	
CC(C)C[C@@H](CN(C)C)NC(=O)NNc1cccc(C(=O)O)c1	833475142	LLCYNCBPUBFBMV-AWEZNQCLSA-N	322.409	1.987	50	20	DDGD	
O=C([C@@H]1CCC[C@H]1Cc1ccccc1)N1CC[C@@H](B(O)O)C1	585066960	OOOLQDOMLIOHBV-ARFHVFGLSA-N	301.195	1.721	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)N[C@@H]1CC12CCCCC2	836382267	KZVDJBQKAZGULP-GFCCVEGCSA-N	303.366	1.562	50	20	DDGD	
C[C@@H]1C[C@@H](C)CN(CCCCNCc2cccc(B(O)O)c2)C1	585016359	WPRHVGOKPDWVMK-HZPDHXFCSA-N	318.270	1.214	50	20	DDGD	
CCC(CC)[C@H](CCNCc1ccc(B(O)O)cc1F)OC	585029509	GHXRDNFTFNMYRA-INIZCTEOSA-N	311.206	1.436	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCOc2ccc(OC)cc2C1	836852726	KQSOEBAOUSXJFX-QBFSEMIESA-N	302.330	1.860	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc(O)cs2)cc1OC	732258168	HAEAAZZPEAORLX-UHFFFAOYSA-N	322.342	1.546	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)CC)cc1C	917744851	GLDPQXRUWRYPJS-JTQLQIEISA-N	314.407	1.749	50	20	DDGD	
C[C@@]1(C(=O)NCCCCS(C)(=O)=O)C[C@H]1Br	911278472	OJFGBCDRVQUESP-PSASIEDQSA-N	312.229	1.101	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@@]2(C)CCCCO2)c1	837318272	YFDMFPKUEXNMCE-MRXNPFEDSA-N	305.378	1.473	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)c1cc2c(s1)CCC2	837310889	OQPVCBHYSGGHRY-JMJZKYOTSA-N	318.398	1.613	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNc1cccc2cnccc12	839709587	SBVGYKSYNNCEQY-ZDUSSCGKSA-N	300.362	1.826	50	20	DDGD	
O=C(Cc1ccncc1)NN=C1CCN(CC(F)(F)F)CC1	747640725	IAIZEDNEAQFDCO-UHFFFAOYSA-N	314.311	1.754	50	20	DDGD	
NC(=O)NCc1ccc(C(=O)NNc2cccc(F)c2)cc1	748089322	DAGNPPDQQIYISK-UHFFFAOYSA-N	302.309	1.751	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@]12CCc1ccccc12)c1ncccn1	841351030	ZNKRXHZYPRYISJ-GUYCJALGSA-N	308.341	1.142	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2cccc(C(F)(F)F)n2)CCC1	740140007	GFTSZAJWIUUTPC-UHFFFAOYSA-N	316.283	1.460	50	20	DDGD	
CCC(CC)n1nccc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843662501	RIULGPASIKGKSI-CMPLNLGQSA-N	308.382	1.430	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)C1CCCC1	914843584	NHBSXERSQYMSCD-UHFFFAOYSA-N	307.306	1.555	50	20	DDGD	
CC(C)[C@]1(C)C[C@H]1NC(=O)NNc1ccc(-n2ccnc2)nn1	841590039	OREBCWGLNCCVSE-ABAIWWIYSA-N	315.381	1.723	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1nccc(C(F)(F)F)n1	840728928	KEFMPDVJIMFSAK-SOFGYWHQSA-N	300.240	1.556	50	20	DDGD	
CC(F)(F)CCC(=O)NNC(=O)Cc1cn2ccccc2n1	746545159	HVVSETCBKIKJJE-UHFFFAOYSA-N	310.304	1.460	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCC(C)(F)F)cc1	915689641	XEMQFRPRVANCJY-UHFFFAOYSA-N	300.305	1.957	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)C[C@H]1CCCC[C@H]1C	740852038	IBKXYWQWPRBFDH-VXGBXAGGSA-N	311.426	1.655	50	20	DDGD	
O=C(O)CCCCNC(=O)NNC(=O)CCOc1ccccc1	840992919	WZALJSGLLTZWFM-UHFFFAOYSA-N	323.349	1.041	50	20	DDGD	
O=C(Cc1ccn(-c2ccc(F)cc2)n1)NNc1cccnn1	743461119	DUHGTEZEZQTZNC-UHFFFAOYSA-N	312.308	1.487	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@H](Br)C(C)(C)C)C[C@@H](C(=O)O)O1	910227075	CTHLBFFQTMOUOC-VGMNWLOBSA-N	322.199	1.497	50	20	DDGD	
NC(=O)[C@]1(NC(=O)CCCC[C@@H]2CCSS2)CCOC1	848320656	ZJHYJYDZMIKGNO-MFKMUULPSA-N	318.464	1.461	50	20	DDGD	
CC1(C)C[C@@H]1NC(=O)NNc1ncc(Br)cn1	847383940	QTXCQBRFVSQFRJ-ZETCQYMHSA-N	300.160	1.664	50	20	DDGD	
CCC(=NNC(=O)c1cccc(S(C)(=O)=O)c1)[C@H]1CCOC1	741847169	HKUVENFNCAYNJG-LBPRGKRZSA-N	324.402	1.622	50	20	DDGD	
C[C@H](c1ccccc1)[C@](C)(O)C(=O)NNC(=O)c1ccncc1	747348231	GHTTYFVCSVOBGN-PXAZEXFGSA-N	313.357	1.397	50	20	DDGD	
CCCC(O)(CCC)CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843972333	AMZGBRHVUZCYPT-VXGBXAGGSA-N	300.399	1.280	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)nc1	848674599	GYQRIIGBYFTSRI-ZIAGYGMSSA-N	319.409	1.733	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C[C@H]1OCCc2ccccc21	843650649	FZGLMGOVXYCYBL-CORIIIEPSA-N	318.373	1.263	50	20	DDGD	
COCC[C@H](C)CNC(=O)NNc1ccc(CC(=O)OC)cc1	845257613	MCFRBLKUCPBEOW-LBPRGKRZSA-N	323.393	1.701	50	20	DDGD	
O=C(NN=Cc1ccc2ccccc2n1)[C@H]1CCS(=O)(=O)C1	741458545	NWYRGDDEISSVJA-LBPRGKRZSA-N	317.370	1.120	50	20	DDGD	
CCCCNC(=O)NNC(=O)C[C@](O)(CC)c1ccccc1	840287666	ZUTJIGICLKBHAO-MRXNPFEDSA-N	307.394	1.805	50	20	DDGD	
O=C(NC[C@@H](C(=O)O)C1CCC1)NNC(=O)c1ccccc1	854238949	QBLVOKXOPFGTNW-GFCCVEGCSA-N	305.334	1.132	50	20	DDGD	
COC(=O)CCC(C)=NNC(=O)c1cnn(-c2ccccc2)c1	756888279	ACQWSJSXNFMTAQ-UHFFFAOYSA-N	314.345	1.931	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc(C(C)C)c1	850282266	UDFXUXGODAJJIX-LLVKDONJSA-N	306.362	1.913	50	20	DDGD	
NC(=O)c1ccc(CC(=O)NNc2cccc([N+](=O)[O-])c2)cc1	754274157	JQPQAXPGTZXJAD-UHFFFAOYSA-N	314.301	1.380	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1ccc(F)c(Cl)c1	858783030	ISSCDLNJJRKYDD-UHFFFAOYSA-N	317.748	1.389	50	20	DDGD	
CO[C@@](C)(C=NNC(=O)CCCNC(=O)C(C)(C)C)C1CC1	853407536	ICEMBHBJWCJXQD-INIZCTEOSA-N	311.426	1.846	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1	854920936	WJUSZNUDRAUKCF-UHFFFAOYSA-N	317.418	1.774	50	20	DDGD	
C=C(CN(C)C)C(=O)NNC(=S)Nc1cccc(C)c1C	854185922	ACHJXHXIPGNSLQ-UHFFFAOYSA-N	306.435	1.739	50	20	DDGD	
CCn1ccnc1C=NNC(=O)c1nnc(-c2ccccc2)o1	755664046	GJRHJFFVVMTEGB-UHFFFAOYSA-N	310.317	1.717	50	20	DDGD	
Cc1cc2ncc(C(=O)NNC(=O)c3ccc(C)o3)c(C)n2n1	752522818	DNOVJULGEBSESZ-UHFFFAOYSA-N	313.317	1.322	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)C2CC(F)(F)C2)cc1	753563589	PQXCIPZCVWJFBB-UHFFFAOYSA-N	309.272	1.130	50	20	DDGD	
CC(CN1Cc2ccccc2C1=O)=NNC(=O)N1CCOCC1	754944053	WURHAGSPCJYDDR-UHFFFAOYSA-N	316.361	1.060	50	20	DDGD	
CCCn1nccc1C(=O)NNC(=O)CNc1ccc(C)cc1	856792055	YBWAZXCDLJOKSD-UHFFFAOYSA-N	315.377	1.475	50	20	DDGD	
CC(C)N1CCC[C@H]1C(=O)NNC(=O)c1ccc(Cl)cc1	929169082	JLVVRXZJVRDVLC-ZDUSSCGKSA-N	309.797	1.974	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NC[C@]1(C)C[C@@H]1Br	857401717	MJPXKJAJQJONNW-WPRPVWTQSA-N	312.229	1.101	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)c1ccc(C#N)cc1)C1CC1	852555162	KNCXUPQXGJJVPQ-AWEZNQCLSA-N	300.362	1.097	50	20	DDGD	
C[C@@H]1CC(F)(F)CCN1C(=O)NNC(=O)c1cccc(F)n1	858624435	HCVNBKFSSYOULI-MRVPVSSYSA-N	316.283	1.695	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)OCC(F)(F)F)cc1OC	856026946	SJQYAKGDCVZELG-UHFFFAOYSA-N	322.239	1.637	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1oc2ccccc2c1CN(C)C	854924408	VPGWYGVTCNINFJ-UHFFFAOYSA-N	320.418	1.575	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNC(=O)NC1CCCCC1	920820463	CBGAVTQYJVELPT-NSHDSACASA-N	301.387	1.091	50	20	DDGD	
COC[C@H](NC(=O)NC[C@]1(C)C[C@H]1Br)C1CC1	856842391	FUHATSHUCRCSDU-UMNHJUIQSA-N	305.216	1.884	50	20	DDGD	
Cc1c(C=NNC(=O)N2CCN(C)CC2)c2ccccc2n1C	853337752	RZUQEJWNPXFXCB-UHFFFAOYSA-N	313.405	1.778	50	20	DDGD	
C[C@]1(CNC(=O)N2[C@H]3CC[C@H]2COC3)C[C@@H]1Br	856892498	GDLHNORQGBHAJG-QFOLPQNPSA-N	303.200	1.733	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1cc(OC)cc(OC)c1)C1CC1	852596936	PQRWYMPERGMWEH-AWEZNQCLSA-N	321.377	1.836	50	20	DDGD	
C=CCCSCCNC(=O)NNC(=O)Cc1ccncc1	852488646	OSDLVUJOMWNWBT-UHFFFAOYSA-N	308.407	1.264	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)C[C@@H]1Br	857391976	WSUFBTYMHPEOQL-ORXSELOVSA-N	317.227	1.568	50	20	DDGD	
COCC1(C(=O)NNc2ncc(Cl)cn2)CCOCC1	857357731	AYQWZBWUHOJAGE-UHFFFAOYSA-N	300.746	1.016	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1ccccc1F)[C@H]1CCCO1	756106545	PKSOZIXGMVNZGJ-QWHCGFSZSA-N	309.341	1.727	50	20	DDGD	
C/C=C\C(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	854331585	VGMTUGAXCMTGMC-XOIDGJRKSA-N	311.382	1.357	50	20	DDGD	
O=C(NN=Cc1c[nH]nc1-c1ccccc1F)c1cnccn1	755631965	QARNTEPQJJNITO-UHFFFAOYSA-N	310.292	1.770	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)CCOC1	754345729	IUVMZTVQRFVWMQ-INIZCTEOSA-N	315.329	1.529	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)Cc1ccccc1OC)C1CC1	852598442	WNQLSZVHMQJQCY-ZDUSSCGKSA-N	305.378	1.757	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccccc1-c1noc(C)n1	755957739	QHZVKTHHHOPBCR-UHFFFAOYSA-N	319.321	1.234	50	20	DDGD	
COCc1ccccc1NC(=O)NNC(=O)CC(F)(F)F	755810943	XNWNRNFRIGPJOI-UHFFFAOYSA-N	305.256	1.938	50	20	DDGD	
COC(=O)[C@H](C)Oc1ccc(C=NNC(=O)NCC2CC2)cc1	758374230	DJUYTWNGQATGEU-NSHDSACASA-N	319.361	1.670	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc3c(c2)CCO3)nc1	759738424	LUHVUXHPDMHIHR-UHFFFAOYSA-N	313.313	1.560	50	20	DDGD	
CN(C)S(=O)(=O)c1cccc(C(=O)NN=CC(C)(C)C)c1	755508086	ISMFYQKPOATAMM-UHFFFAOYSA-N	311.407	1.699	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2CCO[C@H](C(C)C)C2)n1	935753518	WFLZTCSSPPSULG-JSGCOSHPSA-N	305.378	1.602	50	20	DDGD	
CNC(=O)NN=Cc1ccc(OC)c(O)c1Br	761010925	FJYJIWHYIMYZFW-UHFFFAOYSA-N	302.128	1.426	50	20	DDGD	
O=C(Cc1csc2nccn12)NNC(=O)NC1CCCC1	765313874	HZIRWFFDIBRLBH-UHFFFAOYSA-N	307.379	1.211	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H](CC(C)C)N2CCCCC2=O)cc[nH]1	862513210	PRTYUKWGRAAIRR-OAHLLOKOSA-N	318.421	1.682	50	20	DDGD	
CC(=O)N[C@H](CC(=O)NN[C@@H](C)C(F)(F)F)c1cccs1	862306608	MUJGZYHAPQJGAA-IONNQARKSA-N	323.340	1.887	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1nc2cnccc2s1	863361199	FHIIHSJANAPWSC-SSDOTTSWSA-N	310.404	1.729	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)N[C@H](C)c2ccccc2)n[nH]1	764498688	YNBRXZRTHFTWRJ-SNVBAGLBSA-N	303.391	1.588	50	20	DDGD	
COc1ccc(CC(=O)NN[C@H](C)C(F)(F)F)cc1[N+](=O)[O-]	862311193	BSYWXTOOELNDTQ-SSDOTTSWSA-N	321.255	1.718	50	20	DDGD	
CC(C)CCC(=O)NCC(=O)NNCC(F)(F)C(F)(F)F	863095542	IJIPYXYJNGNABQ-UHFFFAOYSA-N	319.274	1.357	50	20	DDGD	
COCc1ncc(C(=O)NNC(=O)c2cc(C)cs2)s1	862479571	SXSXKHYVXGHIAH-UHFFFAOYSA-N	311.388	1.734	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNc2ccc(-n3ccnc3)nn2)[C@H]1C	861694809	YBJLPJARALFVMB-DYNIEEOBSA-N	316.365	1.165	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@@H]1CCN1C(C)(C)C	862992839	JFWUJLFHIMBNBM-AWEZNQCLSA-N	303.406	1.558	50	20	DDGD	
CN(NC(=O)[C@]1(C2CCCC2)CCNC1=O)c1ccccc1	863858345	VIWJSOBOSVOTOC-KRWDZBQOSA-N	301.390	1.851	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(F)c1Cl)[C@H](C)S(C)(=O)=O	862506526	AWXUASFSGUEJQJ-SFYZADRCSA-N	322.789	1.991	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)Cc2ccc3c(c2)CCC3)n[nH]1	869013256	SWFPXBNWFSJBTA-UHFFFAOYSA-N	312.373	1.139	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cccnc2)c1[N+](=O)[O-]	767403262	KACXDYGMQJBDGW-UHFFFAOYSA-N	316.273	1.073	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccc(Cl)c(C)c1	869908747	WFGVHSCJEMQRMI-UHFFFAOYSA-N	300.742	1.072	50	20	DDGD	
Cc1cc(CNC(=O)NNc2ncnc3ccsc23)n[nH]1	765799387	XDHKKNNFYIPKHG-UHFFFAOYSA-N	303.351	1.549	50	20	DDGD	
CCCCCn1nc(C)cc1NC(=O)NNC(=O)c1cn[nH]c1	860735997	UTBRKHJXHNFJDA-UHFFFAOYSA-N	319.369	1.571	50	20	DDGD	
CC(C)Oc1cccc(CC(=O)NNC(=O)c2cn[nH]c2)c1	862474300	JMDANNZSOHXICK-UHFFFAOYSA-N	302.334	1.201	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H](C)CN2C[C@H](C)O[C@H](C)C2)nc1	761804856	STPNCRUAIKWTMF-KFWWJZLASA-N	318.421	1.585	50	20	DDGD	
CN(CC(=O)NNC(=O)C(C)(C)C)Cc1cccc(N(C)C)c1	760870491	SLTMFXRLNFCOFQ-UHFFFAOYSA-N	320.437	1.378	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(OCC2CC2)nc1	1119982818	CIIKNRGTLINBET-UHFFFAOYSA-N	301.346	1.435	50	20	DDGD	
CCCNC(=S)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	764501096	VKAJEGADFPAYIY-UHFFFAOYSA-N	321.381	1.735	50	20	DDGD	
NC(=O)C(=O)NN=Cc1ccc(Oc2cccc(F)c2)cc1	766430533	LQFVQWSWODZDEK-UHFFFAOYSA-N	301.277	1.553	50	20	DDGD	
CN(C)c1ccc2c(c1)N(C)C(=O)C2=NNC(=O)c1ccc[nH]1	761787149	WWIGARMTEQADIH-UHFFFAOYSA-N	311.345	1.191	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)Cc2cccnc2)Cc2ccccc21	872875004	ABAFMPYHGMMOBM-CYBMUJFWSA-N	324.384	1.984	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1CC1(Cl)Cl	766661451	CIPNLYJGCXWQDX-ZETCQYMHSA-N	323.201	1.727	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCS1)c1n[nH]c2c1CCCC2	1116534596	MMNPVXIKWRKXFP-LLVKDONJSA-N	308.407	1.335	50	20	DDGD	
CS[C@@H](C)CC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	772214769	SXOBTWIGMDZGKG-UWVGGRQHSA-N	304.412	1.253	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc(-c2ccco2)nc1O	1115904716	ISQVOVMKJPJHAA-UHFFFAOYSA-N	320.374	1.565	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@H](O)Cc1ccccc1Cl	776119656	JPTPJSMFPZTDGD-SECBINFHSA-N	324.686	1.343	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1ccc2c(c1)OCCO2	874104482	FOTMWANANPZSBJ-UHFFFAOYSA-N	318.358	1.569	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1ccc(F)cc1	771888056	FGTCDXRPBRDFLB-LLVKDONJSA-N	324.352	1.493	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@@H](CC)c1cc(F)ccc1F	775454104	KQNGYQLOKLBGDC-RNCFNFMXSA-N	313.348	1.951	50	20	DDGD	
C[C@H](CC(=O)O)CC(=O)NNC(=O)c1cc2c(s1)CCC2	872831694	ODGJMCJNMDTYSW-QMMMGPOBSA-N	310.375	1.499	50	20	DDGD	
C[C@@H](C(=O)NNc1ccccn1)c1ccc(S(C)(=O)=O)cc1	777474449	GFIQHNMTYNFQEB-LLVKDONJSA-N	319.386	1.732	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(-c2nc[nH]n2)cc1	771273967	QXQVQVKYOKUYNS-UHFFFAOYSA-N	302.338	1.216	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1cnn(CC2CC2)c1	874957244	GGMHJNSEZFKDKP-UHFFFAOYSA-N	316.390	1.320	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(F)cc1Cl	771875012	LAQPJTNPDHSFPI-SSDOTTSWSA-N	316.716	1.582	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cn(CC)nc1C(F)(F)F	887148265	VANZTPDNNQYFER-UHFFFAOYSA-N	316.283	1.486	50	20	DDGD	
CC1(C)[C@@H]2CC[C@@]1(C(=O)NNC(=O)c1ccccn1)C(=O)C2	1123472675	HBGDYQUQHZHUHJ-HWPZZCPQSA-N	301.346	1.238	50	20	DDGD	
CC[C@H](C)[C@@H](NC(=O)NNC(=O)c1c[nH]nc1C)C(F)(F)F	772530668	IJZWPORAMAJFEY-IMTBSYHQSA-N	321.303	1.639	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccncc2C)c1O	771740691	GZYMUWARSWDZSA-UHFFFAOYSA-N	301.302	1.179	50	20	DDGD	
O=C(CSc1nncs1)NNc1cc(Cl)ccn1	778446452	HGGIYEFOVLMRBP-UHFFFAOYSA-N	301.784	1.822	50	20	DDGD	
CC[C@@H](C)n1ncc2c(C(=O)NN(C)C(N)=O)cc(C)nc21	778411870	HQTDWKHVFWXFIQ-SECBINFHSA-N	304.354	1.366	50	20	DDGD	
COc1cccc(NNC(=O)NCc2ccc3c(c2)CCO3)n1	779991130	KLSZWFSAEBPAGJ-UHFFFAOYSA-N	314.345	1.851	50	20	DDGD	
COc1cccc(NNC(=O)NCc2csc(N(C)C)n2)n1	780026029	XCWHYHBTDZIALN-UHFFFAOYSA-N	322.394	1.439	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1cccc(Cl)n1)C(F)F	881014103	DODJBPQVSODMLC-LURJTMIESA-N	306.700	1.723	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@]2(C)CC(C)=NO2)cc1	1120749785	NNTNZJHYCYRZOP-HNNXBMFYSA-N	305.334	1.400	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1O)c1ccc(F)cn1	784616791	PKJHVWJZISCPQU-UHFFFAOYSA-N	309.684	1.655	50	20	DDGD	
COCCOc1ccc(CNS(=O)(=O)CCCCl)cn1	881791084	BPJBUZUDLNWTKJ-UHFFFAOYSA-N	322.814	1.155	50	20	DDGD	
NC1CCN(CCc2cn(/C=C\CBr)nn2)CC1	881295623	RONJFJGEGVIRHP-BHQIHCQQSA-N	314.231	1.109	50	20	DDGD	
CCn1c(NNC(=O)c2cccc(C)n2)nc2ccccc2c1=O	898724368	DNCVVIXQXQKKPP-UHFFFAOYSA-N	323.356	1.877	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC[C@@H]2CCCCN21)c1ccccc1F	899937056	MQHVWPKATUVOMS-SMDDNHRTSA-N	305.353	1.604	50	20	DDGD	
Cc1cncc(NC(=O)C(=O)NNc2cc(Cl)ccn2)c1	784862193	XQWZXGLZVSXQIZ-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
CC(=O)CSCC(=O)NNC(=O)c1ccc2ccccc2n1	786590155	URXUHKMTVYPQNU-UHFFFAOYSA-N	317.370	1.318	50	20	DDGD	
CO[C@H](C(=O)NNC(=S)NC(C)(C)C)c1ccc(F)cc1	899999446	MXQRJJWSZHCRHE-NSHDSACASA-N	313.398	1.807	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2(C#N)CCC2)c2ccccc2n1	799006384	BLERDDINWIUHRI-UHFFFAOYSA-N	308.341	1.998	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2cc(C)c(C)nn2)n1	797628287	WENPFDVFCNWGHL-UHFFFAOYSA-N	300.322	1.263	50	20	DDGD	
COc1ccc(NNC(=O)NOCc2ccccc2OC)nc1	798560025	JCBXNNFQPZRLCS-UHFFFAOYSA-N	318.333	1.857	50	20	DDGD	
O=C(CCCCN1CCOCC1)NNc1nc2ccccc2[nH]1	795215065	CIZCZHUCIYAYAM-UHFFFAOYSA-N	317.393	1.509	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)COc1ccc(C)cc1	792811577	GNPWVIZMACKELR-WFASDCNBSA-N	308.378	1.582	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@H]2CCC(=O)[C@@H]2C)nc1	793734876	GQBHSJMEURHXOI-NXEZZACHSA-N	305.334	1.317	50	20	DDGD	
N#C/C(=C\c1ccc(F)c(Br)c1)S(N)(=O)=O	798230569	ROYVLTDDNFBQCH-XVNBXDOJSA-N	305.128	1.741	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2ccc3c[nH]nc3c2)cc1	1324973562	TWBWCGHGGVAOBH-UHFFFAOYSA-N	324.340	1.575	50	20	DDGD	
COc1cc(F)cc(NC(=O)NNC(=O)c2cc(C)[nH]n2)c1	1320258000	GZNRAQHQGPBUAM-UHFFFAOYSA-N	307.285	1.332	50	20	DDGD	
C#CC[C@H](CCOC)NC(=O)NNC(=O)c1ccc(OC)cc1	1336661694	SRQLFZZCWSMREA-CYBMUJFWSA-N	319.361	1.068	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NC[C@@H]1C[C@H]2C=C[C@H]1C2	1333891311	JXCSKQOELRLVCU-OBJOEFQTSA-N	317.364	1.911	50	20	DDGD	
C#CCCCCNC(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1331076036	ADFBZMXWWOYHFM-MFKMUULPSA-N	315.211	1.196	50	20	DDGD	
Cc1nnc(CNC(=O)NNc2ccc(OC(F)F)cc2)o1	1251510253	LBIKLMPQFUZMMW-UHFFFAOYSA-N	313.264	1.806	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Cc2cccnc2C)cc1	1257398484	BNTSKKBPBRSBMV-UHFFFAOYSA-N	313.357	1.467	50	20	DDGD	
CCCn1ncc(C(=O)NNc2nnc(C)c(O)n2)c1C1CC1	1336602970	WFOWLJZGZHEEMF-UHFFFAOYSA-N	317.353	1.126	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](C(=O)NC[C@]2(C)C[C@@H]2Br)C1	1262789717	PBDCMRFUHBXBDU-NHRVJRKFSA-N	304.184	1.475	50	20	DDGD	
CCCN(NC(=O)c1cnn2c1NCCC2)C(=O)OC(C)(C)C	1348632541	VWGFLVBUMYXDES-UHFFFAOYSA-N	323.397	1.991	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc2c(c1)CN(C(C)=O)C2	1349675762	YXYPCCBYFUHYHQ-UHFFFAOYSA-N	306.322	1.283	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@@H]1CCC[C@H]1CC(=O)O	1603470322	MBPBUWFHMTVIJI-DTWKUNHWSA-N	301.343	1.369	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cnn(CC2CC2)c1	1606861497	HLLJVYZTJRUKOM-UHFFFAOYSA-N	324.348	1.230	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2nccn3ccnc23)c1F	1608936233	HDIQSUAZMBVVIE-UHFFFAOYSA-N	315.264	1.324	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)C(=O)O)c1	1607317386	NFNZJDJIOHKZNZ-VKRGWIQLSA-N	303.270	1.188	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)cc1	1600467883	MASLXVKAWZLWGX-NWDGAFQWSA-N	320.345	1.022	50	20	DDGD	
CCC(=O)C1(C(=O)NNc2ccc(C(=O)O)cc2OC)CC1	1609882991	LVTBYNWEUTWMFF-UHFFFAOYSA-N	306.318	1.596	50	20	DDGD	
CC(Cc1ccccc1F)=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549321149	QKFUJMINABOFSQ-HOCLYGCPSA-N	319.380	1.724	50	20	DDGD	
CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](F)Cl)[C@H]1c1cccnc1	1806712526	SGSXKUOXKXYALV-RWMBFGLXSA-N	313.760	1.642	50	20	DDGD	
C#CC(=O)N1CC[C@H](CNC(=O)[C@H](F)Cl)[C@@H]1c1cccnc1	1808322135	PTGXAGVNWAYSCR-XBFCOCLRSA-N	323.755	1.255	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)CCC(=O)O)n[nH]2)cc1	1611162540	CAEFOORAENNRLC-UHFFFAOYSA-N	316.317	1.011	50	20	DDGD	
Cc1c(Cl)cccc1C=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549904586	KGRJDGWWZFOMLF-DZGCQCFKSA-N	321.808	1.962	50	20	DDGD	
C[C@](N)(C(=O)N1CC=C(C#N)CC1)c1cccc([N+](=O)[O-])c1	1576081189	KLDROQXRNQRFDX-OAHLLOKOSA-N	300.318	1.451	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)C2([C@]3(O)CCCNC3)CCC2)c1	1579706502	QCWNRNYARSPPNF-KRWDZBQOSA-N	321.396	1.862	50	20	DDGD	
CNC[C@@H](O)[C@H](C)C(=O)NNc1cccc(Cl)c1Cl	1578644144	GFKLVJACBVRKML-OIBJUYFYSA-N	306.193	1.653	50	20	DDGD	
NCCCC(=O)NNC(=O)c1ncsc1Nc1ccccc1	1580289348	IAILLNIKVIURQC-UHFFFAOYSA-N	319.390	1.387	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@]1(C(=O)O)C[C@@H]1c1ccccc1	1589693369	JEQOALSPRYEGTL-BZNIZROVSA-N	304.346	1.438	50	20	DDGD	
O=Cc1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)s1	1582789871	CEYBWEYIMUAADE-UHFFFAOYSA-N	314.330	1.498	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H]1CC[C@H](C(=O)O)C1)c1ccccc1	1589430156	LJOJVWFSVZWAPA-HZSPNIEDSA-N	318.373	1.829	50	20	DDGD	
CC(C)CC(=O)NN=CCCc1ccc(-c2nn[nH]n2)cc1	1589536173	BOJXFRHWIQXJHD-UHFFFAOYSA-N	300.366	1.947	50	20	DDGD	
CCCCC[C@@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)O	1595670575	RZFZBLWYBPCJOM-FFXRNRBCSA-N	304.350	1.477	50	20	DDGD	
C[Si](C)(C)OCC(=O)N1CCCC12CN(C(=O)CCC#N)C2	1844377753	OHVLFEMEOSWLJP-UHFFFAOYSA-N	323.469	1.345	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@H]1C[C@H](C(=O)O)c2ccccc21	1594782726	IWLKUENBUYDTKU-STQMWFEESA-N	317.345	1.430	50	20	DDGD	
COc1cc(CO)ccc1C(=O)NNc1ccc(C(=O)O)cn1	1599417478	BHBYEBQZSQENFR-UHFFFAOYSA-N	317.301	1.038	50	20	DDGD	
O=C(NNc1c(F)cccc1F)c1cc(-c2nn[nH]n2)ccn1	1593160747	OCZCARBAGDQXCK-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
C[C@]1(CNC(=O)CCSCC(=O)O)C[C@H]1Br	1594015678	OECIYYUVVAPXDJ-GMSGAONNSA-N	310.213	1.484	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NN=Cc1ccc(C(=O)O)nc1	1776098371	IOLIDBKTRZDFRR-LBPRGKRZSA-N	304.350	1.103	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc(C(=O)O)cc1OC	1776129284	BSJFMPGSAXFFGH-JYRVWZFOSA-N	318.329	1.453	50	20	DDGD	
NC(=O)[C@@H]1CCCC(=NNC(=O)Nc2ccc(C(=O)O)cc2)C1	1776046113	BIKLZMOIUQBCRO-SNVBAGLBSA-N	318.333	1.538	50	20	DDGD	
COc1ccccc1C(=O)NNC(=S)Nc1ccccn1	161766893	OUXSIYAIYZMLBI-UHFFFAOYSA-N	302.359	1.722	50	20	DDGD	
O=C(NNC(=O)c1ccccc1OCC1CC1)c1cccnc1	158906184	OHSVXYULRIIRLI-UHFFFAOYSA-N	311.341	1.945	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)[nH]n1	152998237	ZFLXMGDGYLAOIC-AWEZNQCLSA-N	314.345	1.100	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2ccc(-c3ccccc3)nn2)CCN1	152267021	NDFHEKLIEKZPGO-LBPRGKRZSA-N	311.345	1.113	50	20	DDGD	
C[C@H](O)C[C@H](CNC(=O)NNC(=O)C(C)(C)C)c1ccccc1	155597172	GSNKSVGKNFSABW-GXTWGEPZSA-N	321.421	1.918	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cccc(-n3cccn3)n2)cc1	155627394	VTPFZHUOMSELPT-UHFFFAOYSA-N	304.313	1.896	50	20	DDGD	
Cc1coc(-c2cccc(NC(=O)NNC(=O)CN(C)C)c2)n1	156189187	HFCSBJVVXWJYFB-UHFFFAOYSA-N	317.349	1.364	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C(C2CC2)C2CC2)cc1	156200492	VMVLQUBBKWKBRW-UHFFFAOYSA-N	301.390	1.991	50	20	DDGD	
CC1(C)C[C@@H]1C(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	154205178	TWVMTCJPSMYKKS-MRVPVSSYSA-N	304.375	1.945	50	20	DDGD	
C[C@@H](CCNS(=O)(=O)CCl)NC(=O)OC(C)(C)C	830327007	NDUJZMFSVFGVGV-QMMMGPOBSA-N	300.808	1.405	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)Cc2cccnc2)cc1	103425252	AIXAUFYSXKVLKA-UHFFFAOYSA-N	313.357	1.413	50	20	DDGD	
COCCC(=O)NNC(=O)c1cc(F)ccc1Br	103114595	DRZIACYCRPYIJV-UHFFFAOYSA-N	319.130	1.386	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNC(=O)c1ccccc1)C1CCCC1	53462284	TUIKVTQOYVSZMF-AWEZNQCLSA-N	303.362	1.143	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)/C=C/c1ccco1	57360542	BZCPISJBEBKHDT-CMDGGOBGSA-N	300.314	1.692	50	20	DDGD	
CCOc1ccc(CC(=O)NNC(=O)c2c[nH]nc2C)cc1	109859892	XGXQXMBQGMRAPY-UHFFFAOYSA-N	302.334	1.121	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1csc(-c2ccoc2)n1	108255045	IQOKJCVIWXBNSF-UHFFFAOYSA-N	316.342	1.816	50	20	DDGD	
C[C@H](OC[C@H]1CCCO1)C(=O)NNC(=O)Cc1ccccc1F	66784973	VQVAJGHBWPJBIA-WCQYABFASA-N	324.352	1.100	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccc(C)s1)N1CCCC1=O	175699441	XBZLFDVUPQSBHC-JTQLQIEISA-N	309.391	1.219	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cnc(C(C)(C)C)s1	65204503	KDNVXIUXDUPARD-UHFFFAOYSA-N	314.411	1.421	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1cnn(C)c1)c1ccc(F)cc1	117679966	VOVXKZXGIKGEFQ-SNVBAGLBSA-N	304.325	1.514	50	20	DDGD	
O=C(NNC(=O)c1cscn1)c1cnn(-c2ccccc2)c1	112824300	TVNBOTDJUGIXDC-UHFFFAOYSA-N	313.342	1.404	50	20	DDGD	
C[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1	170969099	VISRBSBWERMSFE-KCJUWKMLSA-N	302.309	1.633	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21)c1ccc(Cl)nc1	1351939416	DTOHPMRVPCLNAD-QZERSUKASA-N	305.765	1.788	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CC[C@@H]1CCOC1	176489489	JSYCZAIAZPMAGA-VXGBXAGGSA-N	324.352	1.557	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1cnn(-c2ccccc2)n1	114895206	WTOKZPUERLDFKV-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)Sc1nncn1C1CC1	110103866	ZFRBWDMVCYUMDB-SECBINFHSA-N	311.411	1.287	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)Cc2ccn[nH]2)c1C	172681952	NBTNTZSZXHKHTJ-GFCCVEGCSA-N	316.361	1.184	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cnc(C)s2)cc1	170850874	PMQWXVFOIKOGDD-UHFFFAOYSA-N	304.375	1.633	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc(-n2cccn2)nc1	179756585	ROKMHMHYJKEBRF-UHFFFAOYSA-N	302.338	1.466	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(C)cc([N+](=O)[O-])c2)n1	122460551	CVQNPGWMSNZMPU-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
O=S(=O)(CBr)N1CCO[C@@H](c2ccccc2)C1	127187975	INSYCLDQHHJNST-LLVKDONJSA-N	320.208	1.742	50	20	DDGD	
COCCn1nc(C)c(NC(=O)NNc2ccncc2)c1C	122341624	OFPZKWRRCWPIMZ-UHFFFAOYSA-N	304.354	1.690	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCc1cn2ccccc2n1	79069761	GMFRGRMDAUSUMW-UHFFFAOYSA-N	303.366	1.253	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1nc(-c2ccccc2)no1	76461715	JEBBHNCVVFLUGZ-LLVKDONJSA-N	320.349	1.621	50	20	DDGD	
Cc1cc(Cl)ccc1NC(=O)C(=O)NNC(=O)c1ccc[nH]1	123167529	IQQIGCFRVDQQMY-UHFFFAOYSA-N	320.736	1.376	50	20	DDGD	
CC1CCC(N2C[C@H](C(=O)NNc3ccccn3)CC2=O)CC1	181214117	YMUUJXKFSVNCKN-ROKHWSDSSA-N	316.405	1.952	50	20	DDGD	
CCC(CC)n1nccc1C(=O)NNC(=O)NCCCOC	123552350	PZBCGISXXRPZCV-UHFFFAOYSA-N	311.386	1.225	50	20	DDGD	
CNC(=O)[C@H](C)CN(C)C(=O)/C(C#N)=C\c1ccc(F)cc1	183440008	GAKYXEWYAUNKKS-JYVXZMADSA-N	303.337	1.573	50	20	DDGD	
CC(C)C[C@@H](C)OCCC(=O)NNC(=O)c1ccccc1O	121462925	QJLMSCDLGKEXMO-GFCCVEGCSA-N	308.378	1.995	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	127878748	JAZPTEOICWNIQY-CYBMUJFWSA-N	318.402	1.979	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNC(=O)COCc2ccccc2)c1	127894228	AMUJJUAGYSQZDG-UHFFFAOYSA-N	315.329	1.195	50	20	DDGD	
C[C@H](NC(=O)c1ccco1)C(=O)NNc1nnc(C2CC2)s1	184515310	VEVHESIOURQKEX-ZETCQYMHSA-N	321.362	1.270	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CC(C)(C)OC2(C)C)o1	181860374	QTQCZOGFKNOVQS-LLVKDONJSA-N	309.366	1.878	50	20	DDGD	
CCSCc1cc(C(=O)NNC(=O)Cc2cccnc2)no1	185635103	MYBKLLDAUGEVFL-UHFFFAOYSA-N	320.374	1.326	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)Cn1ccc2ccccc21	130855085	SRWDNUHSUBIXCR-UHFFFAOYSA-N	311.345	1.319	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2cnns2)cc1	48608887	ZXVJUHXEGBSQII-UHFFFAOYSA-N	308.388	1.400	50	20	DDGD	
COc1ccc(OC)c(C(=O)NNc2nc3ccccn3n2)c1	191895949	RRDCANPVKJIQSX-UHFFFAOYSA-N	313.317	1.503	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2ccncc2)cc1	98022496	SBMDWEPACVACEM-UHFFFAOYSA-N	300.318	1.622	50	20	DDGD	
CCCCOCCNC(=O)NNC(=O)c1ccc(C#N)cc1	141397613	LPCMVETYHZPFJN-UHFFFAOYSA-N	304.350	1.319	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)o1	246161826	QOSYRXYTNBENIQ-MVWJERBFSA-N	307.350	1.346	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCO2)c1csc(N)n1	254497777	OUDXQAFJGLNAIX-UHFFFAOYSA-N	304.331	1.608	50	20	DDGD	
CSCCCNC(=O)NNC(=O)COc1ccc(C#N)cc1	265539992	FSAQQBUCCYYSAR-UHFFFAOYSA-N	322.390	1.021	50	20	DDGD	
CN1CCC(=O)Nc2cc(C(=O)NNC(=O)C3CCC3)ccc21	266858500	SYAWZMZNEZMTFV-UHFFFAOYSA-N	316.361	1.026	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cnc(O)c(Br)c1	266084223	OHLFMYMLCMUBTO-UHFFFAOYSA-N	316.155	1.357	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCCn2cccc2)cc1	267782782	NWHWHDOPPAHMBG-UHFFFAOYSA-N	316.361	1.206	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)C[C@H]2CCCC(=O)N2)c1	368044759	UBKVWMZGHHVEFW-SECBINFHSA-N	307.741	1.109	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@@H]1CCc2[nH]ncc2C1	270234229	RBTWCIFIQNHBIG-LLVKDONJSA-N	324.344	1.708	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(F)cc1F)n1nnnc1C(C)(C)C	273538801	WTBLPIYPISALGP-MRVPVSSYSA-N	324.335	1.953	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Cc1ccc(OC)cc1	276640731	XMWUWQZPGOIOMY-UHFFFAOYSA-N	324.377	1.174	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1C(=O)NNc1nc(-c2cccnc2)no1	278969840	HKGFZOOGQWNLGS-VXGBXAGGSA-N	315.333	1.556	50	20	DDGD	
CC[C@]1(C)CN(C(=O)NNC(=O)c2cccc(C)n2)CCO1	279605789	FAMLOWOFQRZMRH-OAHLLOKOSA-N	306.366	1.245	50	20	DDGD	
C[C@H](CNS(=O)(=O)CBr)N(C)c1ccccc1	271390517	LWLDUPODLDPSRZ-SNVBAGLBSA-N	321.240	1.783	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@@H]1O[C@H](C)C[C@@H]1C	282270894	XHOQZEKRFRYBRT-FIXISWKDSA-N	321.377	1.068	50	20	DDGD	
C=CCCCCCCNC(=O)NNC(=O)Cn1nc(C)cc1C	288037389	ODYHVBFJXMNNSI-UHFFFAOYSA-N	321.425	1.967	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2nccn2C1)c1cc2ccccc2o1	370391643	SKLIZSYNMJUQNG-LBPRGKRZSA-N	324.340	1.653	50	20	DDGD	
CC[C@H](CSC)NC(=O)NNc1ccc(-n2ccnc2)nn1	286945341	PQMHRJZOXBGGNR-SNVBAGLBSA-N	321.410	1.430	50	20	DDGD	
C=CC[C@@H](CC)NC(=O)NNC(=O)c1ccc2c(c1)OCCO2	281156663	BKHIHDHAKWZFEM-GFCCVEGCSA-N	319.361	1.757	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)C(C)(C)c1ccccc1	286761422	ZIDOQAZPMWVIGQ-STQMWFEESA-N	318.373	1.311	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCCC(=O)OC(C)C)n1	280463098	BVODFWPNCZZBEY-UHFFFAOYSA-N	322.365	1.066	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)C(F)(F)C1(O)CCCC1	283238240	ALQOGVJEAARHSI-UHFFFAOYSA-N	317.292	1.050	50	20	DDGD	
C#Cc1cccc(NC(=O)CNC(=O)NCCSSC)c1	284368786	ZVGVPJNXWBDRED-UHFFFAOYSA-N	323.443	1.917	50	20	DDGD	
COCCN(C)NC(=O)c1cnn(C)c1-n1c(C)ccc1C	288348115	GEJMTTZRZFPFET-UHFFFAOYSA-N	305.382	1.051	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-]	292419846	VBQMIUYSSVXEOK-SKDRFNHKSA-N	322.321	1.165	50	20	DDGD	
O=C(CCOC[C@@H]1CCCO1)NNc1nccnc1C1CCC1	805471940	YAVYROWQSFUTTE-ZDUSSCGKSA-N	320.393	1.773	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)c2ccc[nH]2)o1	298100351	MEHAJIMZIMNULT-UHFFFAOYSA-N	304.350	1.524	50	20	DDGD	
CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)NNc1nnc[nH]1	298512533	ULBVEZPGPDSUJV-ZDUSSCGKSA-N	312.374	1.331	50	20	DDGD	
CC(C)C[C@@H](C(=O)NNc1ccncn1)N1CCCCC1=O	295532247	RJXMGBFDFYNHII-LBPRGKRZSA-N	305.382	1.347	50	20	DDGD	
CCCNC(=O)CCC(=O)NNc1nccnc1C1CCC1	805471397	IODNRCJKUOFGKJ-UHFFFAOYSA-N	305.382	1.494	50	20	DDGD	
CCOc1ccc(CC(=O)NNc2nccc(OC)n2)cc1	298319811	VTDXJHYEPWSRGU-UHFFFAOYSA-N	302.334	1.570	50	20	DDGD	
CC[C@@H]1CCC[C@H]1C(=O)NNC(=O)COc1ccc(C#N)cc1	294280431	HJXNJLXFPJLFAX-UKRRQHHQSA-N	315.373	1.911	50	20	DDGD	
COC(=O)c1ccc(Br)c(NNC(=O)[C@H](C)O)c1	294237902	PMLHHKJKZFOLOX-LURJTMIESA-N	317.139	1.060	50	20	DDGD	
CC(C)CC(=O)NN=C1C(=O)N(CCN(C)C)c2ccccc21	807955137	OGUNGTMQWXRFPG-UHFFFAOYSA-N	316.405	1.461	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCC[C@H](C)[C@@H]1C	299221303	INGLVFDWOMMJGN-ZFWWWQNUSA-N	317.433	1.805	50	20	DDGD	
C[C@@H](CN(C)C)NC(=O)NNC(=O)c1cn(C)c2ccccc12	807577073	BNEDKDDYAOCPMD-NSHDSACASA-N	317.393	1.072	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNc1ccc(C(=O)OC)cn1	807166027	AFDZENMVXOBORM-UHFFFAOYSA-N	323.349	1.291	50	20	DDGD	
Cc1cc2c(cc1C)[C@H](C(=O)NNC(=O)c1ccnnc1)CO2	817693368	NSPHAJBGHPZFGY-CYBMUJFWSA-N	312.329	1.031	50	20	DDGD	
CCc1cc(NC(=O)NNC(=O)CCc2ccccc2)nn1C	817334334	HLYFOBYXLCGBAZ-UHFFFAOYSA-N	315.377	1.768	50	20	DDGD	
CC(=NNC(=O)c1cc(C)[nH]n1)[C@@H]1C[C@H](CC(=O)O)C1(C)C	814876304	RMRFHZCFMOAZSZ-MNOVXSKESA-N	306.366	1.961	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)Nc1ccc(OC)cc1	813576761	ZXGHVXHMDAXHIB-QWRGUYRKSA-N	309.366	1.767	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)CSc1ccccc1O	814970375	LSXQKHHYRNIMJG-UHFFFAOYSA-N	316.404	1.021	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CC1CCN(C)CC1	813508871	POCKJWFOWGKIBG-UHFFFAOYSA-N	305.378	1.648	50	20	DDGD	
C[C@@H](Oc1cccc2ccccc12)C(=O)NNc1cnnn1C	816772274	SXUWBELCADSNBF-LLVKDONJSA-N	311.345	1.879	50	20	DDGD	
CCC(=NNC(=O)N1CCN(C)CC1)c1ccc(Cl)c(N)c1	814912509	VQFIAKRWTAFHTN-UHFFFAOYSA-N	323.828	1.993	50	20	DDGD	
CCCCNC(=O)NNC(=S)NCC(C)(C)CN(C)C	727083654	GYRAIXPSBBZUNX-UHFFFAOYSA-N	303.476	1.053	50	20	DDGD	
CN(C)C(=O)c1cccc(C(=O)NNC(=O)C2CCCC2)c1	728465836	PVXVWGJPPPUTQC-UHFFFAOYSA-N	303.362	1.340	50	20	DDGD	
Cn1ccc(/C=C(/C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)n1	826362940	PAOKCBOFCNJFJT-WQLSENKSSA-N	305.301	1.390	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1ccnn1-c1ccc(F)cc1	490693669	JMLGXPYQLFDVAL-ZRDIBKRKSA-N	314.320	1.681	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC(C)(C)C)ccc1-n1cnnn1	728608092	LLPLLTWZZKWIAQ-UHFFFAOYSA-N	316.365	1.168	50	20	DDGD	
COc1ncc(/C=C\C(=O)NNc2cccc([N+](=O)[O-])c2)cn1	492702993	HJJINSOTRWAESG-WAYWQWQTSA-N	315.289	1.550	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NC[C@@H](O)COCC1CC1	491086051	SWEOGODYLZLQGX-SNQWNFELSA-N	318.348	1.636	50	20	DDGD	
CC[C@H](C)CC(=O)NNC(=O)CCNC(=O)OC(C)(C)C	496004420	JWQRPFXEWLCTSQ-JTQLQIEISA-N	301.387	1.485	50	20	DDGD	
O=C(Cn1cc(C2CC2)cn1)NNc1nc(-c2ccccc2)no1	827105857	JTERBJKYUYHFCG-UHFFFAOYSA-N	324.344	1.954	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1nn(-c2ccc(Cl)cc2)cc1O	823952893	VGKBUDGSKJZQIZ-SECBINFHSA-N	324.768	1.189	50	20	DDGD	
N#Cc1cccc(C(=O)NN=Cc2ccc(OCC(N)=O)cc2)c1	728780947	BSQJNQBUSKCCGW-UHFFFAOYSA-N	322.324	1.186	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@]2(C)CCNC2=O)c(Cl)c1	822760149	GUBVWOWKXSVQSO-AWEZNQCLSA-N	324.768	1.327	50	20	DDGD	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NNC(=O)CO	492723901	LIXDMXLSWSMZBJ-UHFFFAOYSA-N	323.349	1.095	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N(CCCO)Cc2ccccc2)cn1	491005412	BAOBHZBQFVOLOY-LICLKQGHSA-N	324.384	1.738	50	20	DDGD	
Cc1nc([C@@H]2CCN(C(=O)/C(C#N)=C/c3ccc(O)cc3)C2)n[nH]1	491135263	SPBIKEGTDRHXEI-SJWLEHQBSA-N	323.356	1.742	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2ccn(C)c2)o1	820203902	ZCGXCWHOGAUZGU-UHFFFAOYSA-N	316.325	1.074	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)/C=C\c1ccccc1Cl	496811842	QWNQBADRJDUOFJ-FPLPWBNLSA-N	304.755	1.843	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@H]1Cc2ccccc2O1)C1CC1	727277267	KIMXYBSAIPHGLF-NOZJJQNGSA-N	305.403	1.284	50	20	DDGD	
O=C(CSC(F)(F)F)NNc1nc(-c2cccnc2)no1	728077106	POGWGFBTMLMGHY-UHFFFAOYSA-N	319.268	1.828	50	20	DDGD	
CCN(CCO)NC(=O)[C@H]1C[C@H]1c1cc(OC)ccc1OC	823879207	IDQBDILUAQPKLK-JSGCOSHPSA-N	308.378	1.153	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(OC2CCOCC2)cc1	823860425	RTBRMTZARZKWGF-UHFFFAOYSA-N	308.378	1.203	50	20	DDGD	
O=C(CN1CCOC1=O)NNc1ccccc1OC(F)(F)F	822133195	RKEZZEIVWQFIRD-UHFFFAOYSA-N	319.239	1.481	50	20	DDGD	
O=C(/C=C/[C@@H]1CCOC1)NNC(=O)NCCc1cccs1	493788033	LKVWQRVMVYNRNL-PGLGOXFNSA-N	309.391	1.214	50	20	DDGD	
CC(=O)c1ccccc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	824029879	SSGDMLSSAJYZFG-UHFFFAOYSA-N	322.328	1.826	50	20	DDGD	
C[C@@]1(C(=O)N2CCN(C3CCC3)CC2)C[C@@H]1Br	906685694	NBJNLIXRUKFBKH-WCQYABFASA-N	301.228	1.857	50	20	DDGD	
CCOC1CC(O)(CNC(=O)[C@]2(C)C[C@@H]2Br)C1	823308638	ANLBXYDVRHSACA-JUJDSHKCSA-N	306.200	1.206	50	20	DDGD	
OB(O)[C@H]1CCN(Cc2cnn(Cc3ccccc3)c2Cl)C1	585076542	OISOXLPHTBCEED-AWEZNQCLSA-N	319.601	1.634	50	20	DDGD	
C[C@H](NCc1ccccc1B(O)O)[C@H](O)c1ccc(Cl)cc1	585025201	OBEKCIFYPGEJLW-ZBEGNZNMSA-N	319.597	1.232	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(N=c2cc[nH]cc2)cc1	823951614	LMGXEZUGYQYNRJ-GFCCVEGCSA-N	300.362	1.205	50	20	DDGD	
COCC[C@@H](NCc1ccc(B(O)O)cc1F)c1ccc(C)o1	585033597	HUOPKAQUBALLPW-OAHLLOKOSA-N	321.157	1.274	50	20	DDGD	
C[C@H]1OC(=O)N[C@@H]1C(=O)NNc1ccc(C(F)(F)F)cn1	496204171	DWTVTEYPLLWKPC-XRGYYRRGSA-N	304.228	1.040	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)c1c(C)nc2ccccn12	822234158	GTWICPSPUMYAGK-LLVKDONJSA-N	304.350	1.219	50	20	DDGD	
CC(C)(C)[C@H](CC(F)(F)F)NCc1ccc(B(O)O)cc1F	585035850	ZVSRTEFCBUUGJX-LBPRGKRZSA-N	321.123	1.962	50	20	DDGD	
CC(C)CCC1CCN(C(=O)c2cccc(B(O)O)c2)CC1	584962549	NPRDNWWNVDEWKC-UHFFFAOYSA-N	303.211	1.655	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1nc2cccc(C(=O)OC)c2[nH]1	490811242	DUETVIGDIPIVOD-CMDGGOBGSA-N	314.301	1.732	50	20	DDGD	
Cc1occc1C=NNC(=O)NCCNC(=O)OC(C)(C)C	495987675	GPOPICIPNYXIHR-UHFFFAOYSA-N	310.354	1.746	50	20	DDGD	
CC(C)CN1CCN(C(=O)[C@@]2(C)C[C@@H]2Br)CC1=O	907542327	YWKSWDQVWXSHLI-GWCFXTLKSA-N	317.227	1.487	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)c1	828364297	FIMQLKLOKJNVED-DDTOSNHZSA-N	323.418	1.905	50	20	DDGD	
C[C@H]1CCC[C@@]1(C)C(=O)NNC(=O)COc1ccccc1O	823180529	WGAKVACTKXCJEF-MEDUHNTESA-N	306.362	1.745	50	20	DDGD	
CCCOc1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cc1OCC	585075320	RRBDSUXVFHWDCC-CYBMUJFWSA-N	321.182	1.563	50	20	DDGD	
C[C@]1(C(=O)Nc2ccc(-n3cncn3)nc2)C[C@H]1Br	905878939	IOXBCCIPAUCBPX-SKDRFNHKSA-N	322.166	1.774	50	20	DDGD	
CCNC(=O)NN=C[C@@H](CCOC)NC(=O)OC(C)(C)C	497077168	CXTQEUBIXVKLOP-SNVBAGLBSA-N	302.375	1.221	50	20	DDGD	
OB(O)c1ccccc1CN[C@H]1CCc2cc(F)c(F)c(F)c21	585044358	GIUCIDNKGIXTPY-ZDUSSCGKSA-N	321.107	1.561	50	20	DDGD	
CCOC(=O)c1cnc(NC(=O)[C@@]2(C)C[C@@H]2Br)[nH]1	909989437	RHCYOTFFNNZYHT-CPCISQLKSA-N	316.155	1.698	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2CCCCN2C)cc1	732275982	MOFUZIVBVRSULI-HNNXBMFYSA-N	319.405	1.260	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C[C@H]2CCOC2)cc1OC	739680911	RSLMIOSGGUVFEB-LLVKDONJSA-N	322.361	1.282	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc2c(c1)C[C@H](C)O2	901965359	DEBAGBRBIUHLSN-NSHDSACASA-N	322.386	1.123	50	20	DDGD	
Cc1ncc2c(n1)CCC[C@@H]2NC(=O)NNC(=O)c1ccc[nH]1	734951074	LHTSHIBTVAIYRM-LBPRGKRZSA-N	314.349	1.135	50	20	DDGD	
CC1(C)C[C@H](CNC(=O)NNc2ncncc2Cl)CCO1	836676538	LSFIBPRLIGUPTQ-SECBINFHSA-N	313.789	1.961	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1[C@H]2CCC[C@H]1CC(F)(F)C2	585004779	MZCOLZJBHLBOHI-STQMWFEESA-N	309.121	1.159	50	20	DDGD	
COc1ccccc1C/C(C)=C\C(=O)NNC(=O)NCC1CC1	730216035	PFTPENWBSJFPEY-BENRWUELSA-N	317.389	1.924	50	20	DDGD	
C[C@H]1C[C@@H](NCc2ccc(B(O)O)cc2)CN1Cc1ccccc1	585028438	KFCFTRHJKBXERL-HNAYVOBHSA-N	324.233	1.119	50	20	DDGD	
O=C(NNc1cccc(Cl)c1)C1CCS(=O)(=O)CC1	732952764	JKQYHAJVKPZWSF-UHFFFAOYSA-N	302.783	1.608	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNc1nc(-c2ccccc2)no1	839644375	RACSMNWZROUKQG-NSHDSACASA-N	318.333	1.769	50	20	DDGD	
CCS[C@@H]1CCC[C@H](NCc2ccc(B(O)O)cc2F)C1	585031131	RMZBXXGGUGVFKS-UONOGXRCSA-N	311.231	1.659	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc(C#N)c(Cl)c1	831077108	FZEKUXRTWKPAFI-LDYMZIIASA-N	322.752	1.789	50	20	DDGD	
C#CCCN1CCC(NC(=O)[C@@]2(C)C[C@H]2Br)CC1	906775455	SRAOLIBLIPHNOV-OCCSQVGLSA-N	313.239	1.764	50	20	DDGD	
C=C(CI)n1cc([C@](C)(N)CC)nn1	900641410	SLHNCFIKSSTRQH-SECBINFHSA-N	306.151	1.768	50	20	DDGD	
CCn1ccnc1[C@@H](C)NC(=O)NNc1nc(C)cc(OC)n1	836629000	YRIARRKQCMRGSO-SNVBAGLBSA-N	319.369	1.397	50	20	DDGD	
O=C(NCCOCC1CCCC1)NNC(=O)c1ccccc1	836205737	QQEWKXHEDFKDJR-UHFFFAOYSA-N	305.378	1.837	50	20	DDGD	
CC(C)c1cccc(O[C@@H](C)C(=O)N2CC[C@H](B(O)O)C2)c1	585068965	JUUUGYYZVRUBIY-JSGCOSHPSA-N	305.183	1.653	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@]2(C)CC(C)=NO2)cc1OC	901223223	AKUJUGWJYPDOPS-OAHLLOKOSA-N	321.333	1.020	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCC1(C(=O)O)CCC1	738323900	OMQWDHFRFBLOBS-UHFFFAOYSA-N	320.349	1.586	50	20	DDGD	
CC(C)(C)SCCNC(=O)NNC(=O)N=c1cc[nH]cc1	836271382	JSTXXSVZAMZCJS-UHFFFAOYSA-N	311.411	1.371	50	20	DDGD	
CCCN(CC(=O)NNC(=O)C1CC1)Cc1ccccc1F	733194578	BGFVVVTVRGIXHE-UHFFFAOYSA-N	307.369	1.595	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C1CC2(CCC2)C1	830625675	IGAAFKCQKGCUQA-LLVKDONJSA-N	310.394	1.692	50	20	DDGD	
Cc1csc([C@@H](C)C(=O)NNc2cc(Cl)nc(N)n2)n1	831988750	SOMRAQWFBKJGCP-LURJTMIESA-N	312.786	1.724	50	20	DDGD	
O=C(COc1ccc(C(F)(F)F)cc1)N1CC[C@H](B(O)O)C1	585068950	JHPAIJLKGDTGDE-JTQLQIEISA-N	317.072	1.160	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H]2CCSC2)c(F)c1	838497805	VAJUPLVKNJWUSQ-SECBINFHSA-N	313.354	1.744	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1ncnc2sccc12	735412822	JBXNBXUQZRRKGS-SSDOTTSWSA-N	310.404	1.729	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1C[C@@H]2c3ccccc3CC[C@@H]21	585050049	POUGHHVZEKYWSJ-YQVWRLOYSA-N	307.202	1.575	50	20	DDGD	
COC(=O)c1cccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	831241091	OERRCGDVYBJWED-JOYOIKCWSA-N	321.333	1.051	50	20	DDGD	
C[C@@H]1CC2(CCOCC2)CN1CC(=O)NNC(=O)C(C)(C)C	830608284	GFMVPEUJWWODEV-GFCCVEGCSA-N	311.426	1.071	50	20	DDGD	
C[C@H](Cc1cccc(O)c1)NC(=O)NNC(=O)[C@@H]1CCCCO1	837811060	GPZDSDIBNVVXQM-RISCZKNCSA-N	321.377	1.223	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc(OC(F)F)cn1	836653025	DQALHHSTUNJSDH-UHFFFAOYSA-N	302.281	1.882	50	20	DDGD	
CNC(=O)Nc1cccc(C(=O)NN[C@H](C)C(F)(F)F)c1	912898761	PSCLWEAXHBRMND-SSDOTTSWSA-N	304.272	1.623	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cc(C3CC3)[nH]n2)c1F	837056675	ACEBZUAZLSJJSL-UHFFFAOYSA-N	318.308	1.970	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCc1ccc(F)c(F)c1	747579213	BNCRFFUXNGUMOA-UHFFFAOYSA-N	320.299	1.433	50	20	DDGD	
Cc1nc(SCC(=O)NNC(=O)C2CC2)c2ccccc2n1	742444863	LBXCRSCINSPMRP-UHFFFAOYSA-N	316.386	1.588	50	20	DDGD	
Cc1ccccc1C=NNC(=O)C(=O)NN=Cc1ccccc1C	916266449	VTIVVSZVIMLACP-UHFFFAOYSA-N	322.368	1.904	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNc1ncc(Br)cn1	848321234	MVCSPLPPHWDYTP-SSDOTTSWSA-N	303.160	1.497	50	20	DDGD	
CCC(=NNC(=O)c1ccc(-n2cnnn2)cc1)[C@H]1CCOC1	741838114	PMGSOCFVKQLMSA-LBPRGKRZSA-N	314.349	1.195	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C[C@]1(OC)CCOC1	841605458	ZOYKYELRJOGVFF-OAHLLOKOSA-N	307.350	1.015	50	20	DDGD	
Cc1ccc(C)c(SCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	843645071	QHHSWBPIRCGEJZ-QWHCGFSZSA-N	322.430	1.968	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)C(=O)N2CCCC2)c(OC)c1	748137339	ANGPETNRELXIDF-UHFFFAOYSA-N	319.361	1.166	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1	846638752	FSQRTIWJHMENHM-NWDGAFQWSA-N	304.325	1.815	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCc1ccc(Cl)nc1	918079422	RQGGBPICJFNYDO-UHFFFAOYSA-N	310.663	1.518	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)C1)c1cc2ccccc2cc1O	912779213	UNFPJMQKVBNLKL-UHFFFAOYSA-N	318.354	1.450	50	20	DDGD	
CCn1nncc1C=NNC(=O)CCc1ccc(OC)cc1	841620379	HNJQSVMKRAHMNZ-UHFFFAOYSA-N	301.350	1.390	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1C=O	843973534	YLYMKDMUJGBYEU-DGCLKSJQSA-N	304.346	1.302	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccc(O[C@H]2CCOC2)cc1	849178113	UTWRSFVFVLKPCH-DNXIFWLFSA-N	317.341	1.951	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H](C)[C@@](C)(OC)C2CC2)n1	840422516	CLGRSTYWKWJWET-ZUZCIYMTSA-N	323.397	1.623	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNC(=O)Cc1nc2ccccc2n1C	919972871	VZANIXWLTFDECF-ZDUSSCGKSA-N	318.377	1.078	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@](C)(O)[C@H](C)c1ccccc1	843977765	HUBFPSZAVUTKAG-NVNVUAJTSA-N	320.389	1.114	50	20	DDGD	
C[C@@H]1O[C@H](C)C[C@@H]1CNC(=O)NNC(=O)Cc1ccccc1F	840435879	NFZAKEQDXOEOHA-NTZNESFSSA-N	323.368	1.512	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2cccc3c2OCCCO3)CC1	845910898	FTSNDYOCMSVNOA-UHFFFAOYSA-N	320.370	1.692	50	20	DDGD	
CC(=NNC(=O)c1ccc(-n2cnnn2)cc1)c1ccccc1	916352620	ZWQRKELGKDIYNP-UHFFFAOYSA-N	306.329	1.816	50	20	DDGD	
COC(=O)COc1c(C)cc(/C=C(/C#N)S(C)(=O)=O)cc1C	746341571	CEZXAZUKUWYJDU-QPEQYQDCSA-N	323.370	1.764	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H]1COCC[C@@H]1c1ccccc1	841384696	CPGMIZKRXZJYED-ZIAGYGMSSA-N	305.378	1.547	50	20	DDGD	
COc1cccc(NCC(=O)NN=C2CCCn3ccnc32)c1	848401713	GSCGAWPPIZRLGK-UHFFFAOYSA-N	313.361	1.618	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1ccc2c(c1)OC(F)(F)O2	842549703	PIEOFMGRSLOIOH-PSASIEDQSA-N	312.272	1.883	50	20	DDGD	
C[C@@H](C=NNC(=O)CN1CCCC1=O)CCc1ccccc1	749158248	KSOXLNGBWMSHNH-CQSZACIVSA-N	301.390	1.980	50	20	DDGD	
Cn1ccc(C=NNC(=O)c2cccc(S(C)(=O)=O)c2)c1	749857310	BHDBWHGWBPQJFD-UHFFFAOYSA-N	305.359	1.193	50	20	DDGD	
CC(C)(CCC(=O)NNC(=O)c1ncccn1)c1ccccc1	841351014	ZBTLRFDWDZSVAP-UHFFFAOYSA-N	312.373	1.996	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1CCO[C@@H](c2ccccc2)O1	847285220	FEBWDHJBDPDSOJ-GXTWGEPZSA-N	321.402	1.172	50	20	DDGD	
CC(=O)CCc1ccc(O[C@H](C)C(=O)NNC(=O)C(C)C)cc1	745108146	XWOJWILHWNVKHV-CYBMUJFWSA-N	320.389	1.779	50	20	DDGD	
NS(=O)(=O)CCCCCC(=O)NNc1cc(Cl)ccn1	845924313	XABHPDDVEWDIPW-UHFFFAOYSA-N	320.802	1.027	50	20	DDGD	
CC(C)Oc1ncccc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843656726	PTOKVSIYPUIZOO-WDEREUQCSA-N	307.350	1.055	50	20	DDGD	
O=C(NCC[C@]1(O)CCCOC1)NNc1ccccc1Cl	845718083	HKXMWQUMKOMCJA-CQSZACIVSA-N	313.785	1.898	50	20	DDGD	
O=C(NN=C/C=C\c1ccc(F)cc1)C(=O)Nc1ccccn1	747765670	HOPVPPJCMVMLGE-YEYGOYOGSA-N	312.304	1.975	50	20	DDGD	
Cc1cccc(CN(C)[C@@H](C)C(=O)NNC(=O)CC(C)C)n1	746465627	ZASNMYAKKBHUBY-ZDUSSCGKSA-N	306.410	1.404	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NC[C@H]1CCCN1)c1ccccc1	841936424	ILOQDBDXSNDAGK-CYBMUJFWSA-N	304.394	1.047	50	20	DDGD	
COCC[C@@H](C)CNC(=O)NNC(=O)COCc1ccccc1	840399112	LBYAIZWGVJLWOP-CYBMUJFWSA-N	323.393	1.206	50	20	DDGD	
Cc1oc(C(=O)NNc2ccc(F)cc2)cc1S(N)(=O)=O	756079710	HSFUCCXQJPCBKE-UHFFFAOYSA-N	313.310	1.131	50	20	DDGD	
COC[C@@H](C)Oc1ccc(C=NNC(=O)Cc2cc[nH]n2)cc1	853351233	YVLLCRWREIVPRR-GFCCVEGCSA-N	316.361	1.516	50	20	DDGD	
O=C(NC[C@@H]1CCCCC1(F)F)NNC(=O)c1cn[nH]c1	858500793	QJHJJPFJJYAEOX-VIFPVBQESA-N	301.297	1.179	50	20	DDGD	
C[C@]1(CNC(=O)NCC2(O)CCCC2)C[C@H]1Br	856956802	VEOVGFIUGQJHBI-MWLCHTKSSA-N	305.216	1.764	50	20	DDGD	
Cc1ccc(C)c(-c2cc(C(=O)NN=Cc3cn(C)nn3)n[nH]2)c1	755791784	RKVUWFPUCXPAAQ-UHFFFAOYSA-N	323.360	1.586	50	20	DDGD	
C[S@](=O)CCN1CCN(/C(=C/C#N)c2ccccc2)CC1	755949107	GFVBFLBOGCLWKX-GSWGVQEBSA-N	303.431	1.547	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](c1ccc(F)c(C)c1)C1CC1	759696581	HTMSTEZPBFXVDS-HNNXBMFYSA-N	323.368	1.952	50	20	DDGD	
CN(CCCCCO)C(=O)NC[C@]1(C)C[C@H]1Br	856953828	CXCNOLLKJNHBFC-PWSUYJOCSA-N	307.232	1.964	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)COc1ccc(F)cc1	758996940	NQVIRHPXWGROIK-UHFFFAOYSA-N	312.341	1.415	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1ccncc1	853390654	HSJOPWYJYOCHMH-HIFRSBDPSA-N	302.378	1.175	50	20	DDGD	
C[C@]1(CNC(=O)NCCO[C@@H]2CCOC2)C[C@H]1Br	923373968	QXTUKHZBAVSFTI-CKYFFXLPSA-N	321.215	1.265	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=C1C(=O)Nc2cc(O)c(Cl)cc21	853369489	YTMOYENIPZVCKT-RNFRBKRXSA-N	323.736	1.243	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cc(C(F)(F)F)nn2C)n[nH]1	853285900	BNOCGOKSFQNEDE-UHFFFAOYSA-N	314.271	1.163	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Cn1nccc1C)c1ccccc1	859330596	YTHUESCHVFABRH-CQSZACIVSA-N	300.362	1.533	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNc1nc(-c2ccncc2)no1	859072963	MQLRPXCXOCOSKY-LLVKDONJSA-N	305.338	1.780	50	20	DDGD	
CCC(F)(F)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	854381976	WYIFIXFDGBXCQW-UHFFFAOYSA-N	300.309	1.951	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1ccc2c(c1)CCN2C	752724262	XIHYQBJWDFBWEP-UHFFFAOYSA-N	315.402	1.790	50	20	DDGD	
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NNC(=O)c1cccc(Cl)n1	857324754	MDEZIEQRRWINLH-PSASIEDQSA-N	311.769	1.700	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1cnn(C)c1	920825276	GRQUQGRDYZWXKO-AWEZNQCLSA-N	300.318	1.100	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc2c(c1)CCN2C)C1CC1	855099750	MMNPGFHCSSKVOQ-SNVBAGLBSA-N	318.446	1.586	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccc3nnnn3c2)C[C@H]1Br	857689387	KTYPHAWJCQWUOP-KCJUWKMLSA-N	310.155	1.028	50	20	DDGD	
CSC1(CNC(=O)c2ccc(B(O)O)cc2)CCCCC1	924249037	YNYHAPUZJBKTCO-UHFFFAOYSA-N	307.224	1.162	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCC2=CCCC2)c1	851914987	FDBQPNDDDKBBOY-UHFFFAOYSA-N	303.362	1.815	50	20	DDGD	
CCCNC(=O)[C@H](C)OC(=O)/C(C#N)=C/c1ccc(O)cc1	750666770	SFOIPRYVWHHFBN-GJSJWPQCSA-N	302.330	1.757	50	20	DDGD	
Cn1cc([C@@H](O)C(=O)NNc2ccc(OC(F)F)cc2)cn1	857474233	XEMNTARGGDOALY-LLVKDONJSA-N	312.276	1.198	50	20	DDGD	
CC[C@H](C)CC[C@@H](O)CC(=O)NNC(=O)OCC(F)(F)F	856020391	FTIDMGPQULYRSR-DTWKUNHWSA-N	314.304	1.883	50	20	DDGD	
CNC(=S)N(C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1	854924537	XXYCIBPIUNJIPH-UHFFFAOYSA-N	310.379	1.340	50	20	DDGD	
CC(C)OC(=O)CCCNC(=O)NNc1ncc(Cl)cn1	856885766	DWDAQNWOVSVJNS-UHFFFAOYSA-N	315.761	1.488	50	20	DDGD	
C[C@H]1CC(=NNC(=O)COc2ccccc2F)CN1C1CC1	753956108	ULTXKHPSHPWHDX-NSHDSACASA-N	305.353	1.933	50	20	DDGD	
O=C(COC(=O)[C@@H]1CC12CCC2)NNC(=O)c1cccs1	759992132	ONWJERHTRMGVFX-VIFPVBQESA-N	308.359	1.243	50	20	DDGD	
C[C@@H](CO)CCCNC(=O)NNC(=O)CCc1ccccc1	759630256	AVXRJRHINHNGSS-CYBMUJFWSA-N	307.394	1.358	50	20	DDGD	
CC(=O)N[C@@H](CCC(C)C)C(=O)NNC(=O)c1ccccc1F	854180951	QXAJSWGBMKLSNA-AWEZNQCLSA-N	323.368	1.528	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)Cc1cc(C)cc(C)c1	854285032	DOGDDTWNYZAVIO-UHFFFAOYSA-N	323.462	1.720	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21	857113894	GEBZBQRHRBVOCI-IJLUTSLNSA-N	309.410	1.265	50	20	DDGD	
CC(C)SCCNC(=O)NNC(=O)c1cccc(F)n1	852337744	BBGYULUDWORNRJ-UHFFFAOYSA-N	300.359	1.306	50	20	DDGD	
COc1cccc2c1CCC(=NNC(=O)Cc1cc(C)[nH]n1)C2	754924702	ZTPWBTBGHSQIQX-UHFFFAOYSA-N	312.373	1.930	50	20	DDGD	
Cc1cc(C)cc([C@H](C)NC(=O)NNC(=O)c2cn[nH]c2)c1	858203195	OGEHMDUUHOBCSO-NSHDSACASA-N	301.350	1.732	50	20	DDGD	
CC[C@](C)(NC(=O)NNC(=O)C1CCOCC1)C(F)(F)F	933506925	KYRZRAKRAJNKNN-NSHDSACASA-N	311.304	1.474	50	20	DDGD	
C#CCN(CC(=O)NNC(=O)c1cccc(Cl)c1)C(C)C	932396097	KXPBZEGDJIRWLA-UHFFFAOYSA-N	307.781	1.445	50	20	DDGD	
CC(C)(C)NCCC(=O)NNc1cccc(S(C)(=O)=O)c1	935256518	FCIMDLRCMNJGIM-UHFFFAOYSA-N	313.423	1.311	50	20	DDGD	
C/C(N)=C(/C#N)c1nc(CCNC(=O)C(F)(F)F)cs1	864369733	ZJVMMQUPMLHGGE-SOFGYWHQSA-N	304.297	1.577	50	20	DDGD	
CC(=NNC(=O)c1nn(-c2ccccc2)cc1O)c1ccnn1C	766003272	WAHLCRMHKGBMHM-UHFFFAOYSA-N	324.344	1.465	50	20	DDGD	
Cc1nc2ccnn2c(C)c1C(=O)NNc1cccc(C#N)c1	761996344	IXGFMZSCHQUHRT-UHFFFAOYSA-N	306.329	1.975	50	20	DDGD	
COCCOCC(=O)NNC(=O)Cc1c(C)oc2ccccc12	869908064	VUHIQTMAWUNPGS-UHFFFAOYSA-N	320.345	1.094	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)c2ccccn2)c1CC	760040685	VNVDGBQJYDIRDQ-UHFFFAOYSA-N	315.377	1.715	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCc2cncc3ccccc23)cn1	765061946	HJMFVINUUPCEHD-UHFFFAOYSA-N	323.356	1.362	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1cc2n(n1)CCCO2	762949338	ATXVVTFKLREWPO-UHFFFAOYSA-N	315.333	1.441	50	20	DDGD	
Cc1nccn1CCCN(C)[C@@H](C)C(=O)NNC(=O)CC(C)C	767443130	IKCPLCGSPUMGDE-ZDUSSCGKSA-N	323.441	1.095	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)n1	863896821	IPYDGGDDIWXJNK-NMKXLXIOSA-N	321.425	1.825	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCN1C1CCCC1)c1ccccn1	763874907	KNIFPAOINWRKCC-HNNXBMFYSA-N	316.405	1.640	50	20	DDGD	
COc1ccnc(NNC(=O)CC(F)(F)C(F)(F)F)n1	864822730	FEEFJZBMAQQCNP-UHFFFAOYSA-N	300.187	1.516	50	20	DDGD	
Cc1cnccc1C(=O)NNC(=O)c1ccc2c(c1)OCCO2	769821663	AJVSKGURDZDRSM-UHFFFAOYSA-N	313.313	1.236	50	20	DDGD	
COc1cccc2cc(C(C)=NNC(=O)[C@@H]3CCC(=O)N3)oc12	863145239	IDWAFFAHHSFFHX-NSHDSACASA-N	315.329	1.560	50	20	DDGD	
C#CCN(CC(=O)NN=c1cc[nH]c(C)c1)C(=O)OC(C)(C)C	862516397	QKWNOOKVOQWAQW-UHFFFAOYSA-N	318.377	1.125	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)Nc1cnn(CCF)c1	861481875	BDIHPQUZAAOZFP-UHFFFAOYSA-N	307.333	1.915	50	20	DDGD	
CN(C)CC(=O)NN=Cc1cc(O)ccc1Br	769794160	WVWVBAJFKDUMFS-UHFFFAOYSA-N	300.156	1.166	50	20	DDGD	
Cc1cnn(CC2CC2)c1NC(=O)NNC(=O)c1cccnc1	1116565295	OJLXHJPUJNUHGH-UHFFFAOYSA-N	314.349	1.463	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)CCl)CC2)c1	1116437711	NUFVUEJOWKVRJQ-CYBMUJFWSA-N	324.808	1.672	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(C#N)c1	772301256	CJXGMWZNBUYWRU-MRVPVSSYSA-N	323.736	1.314	50	20	DDGD	
CCOCCONC(=O)NNc1ccc(OC(F)F)cc1	776200136	PWSVYHPKLLGZBK-UHFFFAOYSA-N	305.281	1.882	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)OCCn2ccnc2)cc(C#N)n1C	771898036	LJPFFXOXNLJBBM-AUWJEWJLSA-N	309.329	1.552	50	20	DDGD	
CC(C)NCCCNC(=O)NNC(=O)c1ccccc1Cl	1118032360	MLRZVEKELNXKLF-UHFFFAOYSA-N	312.801	1.672	50	20	DDGD	
C[C@@H](CBr)COC(=O)c1c([N+](=O)[O-])cnn1C	770407356	KTYIGLDBELAJOO-LURJTMIESA-N	306.116	1.516	50	20	DDGD	
CCc1nc2c(s1)C(=NNC(=O)C[n+]1ccccc1)CCC2	1116886218	HVJHIKGWVUYMMH-UHFFFAOYSA-O	315.422	1.850	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cccc(NC(C)=O)c2)n1	775459141	SOTNOILEXBNNHX-UHFFFAOYSA-N	316.321	1.592	50	20	DDGD	
COC(=O)N(C)NC(=O)NCC1(c2cccc(OC)c2)CC1	875589854	JVAAOKPWGYXLLG-UHFFFAOYSA-N	307.350	1.639	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@H](C)COCC(F)(F)F)n1	875171916	UGIKLAXAUZREGH-SECBINFHSA-N	306.288	1.984	50	20	DDGD	
CCc1nc2c(s1)C(=NNC(=O)c1cccnn1)CCC2	1119303123	ZHIOOOYCWPVWIB-UHFFFAOYSA-N	301.375	1.966	50	20	DDGD	
CS(=O)(=O)c1cccc(Cl)c1C=NNC(=O)C1CC1	773188802	VLMIWNQHWNAQRB-UHFFFAOYSA-N	300.767	1.604	50	20	DDGD	
C=CCNC(=O)c1ccc(NC(=O)NNC(=O)C(C)C)cc1	770340960	ZCZUUIWQYZYHTB-UHFFFAOYSA-N	304.350	1.411	50	20	DDGD	
O=C(CO)NN=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	776779490	FLRAIDZPBVLKKC-UHFFFAOYSA-N	306.322	1.028	50	20	DDGD	
COC(=O)[C@@H]1CN(S(=O)(=O)CCCCl)c2ccccc21	881883269	CJXIFUUBQYBWIG-LLVKDONJSA-N	317.794	1.722	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)Cc1ccc(C)cc1	772240834	LGPFLSHFUZWSKZ-OLZOCXBDSA-N	320.389	1.663	50	20	DDGD	
CCOC1(CNC(=O)NNC(=O)C2CCOCC2)CCCC1	883666972	HZNZVMFDUFGSGN-UHFFFAOYSA-N	313.398	1.093	50	20	DDGD	
O=C(COC(=O)/C=C\c1ccc[nH]1)NNC(=O)c1cccs1	782331669	MXTDATBCDBMPHF-WAYWQWQTSA-N	319.342	1.094	50	20	DDGD	
CC(=NNC(=O)COc1ccc(F)cc1)c1cc(C)nn1C	788979247	VJIXQBCNBKGFJQ-UHFFFAOYSA-N	304.325	1.787	50	20	DDGD	
Cc1ccc(F)cc1C(=O)C(=O)NNC(=O)c1cccnc1	781930373	PTPRMLXJYBCPJB-UHFFFAOYSA-N	301.277	1.173	50	20	DDGD	
CCC(CC)(CCO)CNS(=O)(=O)CBr	782462184	YLWMLFJGAAOHIR-UHFFFAOYSA-N	302.234	1.447	50	20	DDGD	
CC1(C)CCC1=NNC(=O)C1CCN(c2ncccn2)CC1	789003699	GXSPZBLUUJEGRY-UHFFFAOYSA-N	301.394	1.985	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1cnn(C(C)(C)C)c1C	787157848	OHDCZMCRHIEZQS-UHFFFAOYSA-N	302.382	1.834	50	20	DDGD	
N#CCCn1cc(C=NNC(=O)C(F)F)c(-c2ccncc2)n1	788438941	NWKHBZFMUNNRCO-UHFFFAOYSA-N	318.287	1.574	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1sccc1Cl	782171242	UEZPJSYVGDAFMU-JTQLQIEISA-N	315.826	1.820	50	20	DDGD	
CC(C)[C@H]1CCCN(CC(=O)NNC(=O)c2ccccc2)C1	781982634	PCXBQSHKEWFGBL-HNNXBMFYSA-N	303.406	1.816	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1ccc(Cn2cccn2)o1	781804542	KAORFXBZZDRSJT-UHFFFAOYSA-N	318.724	1.725	50	20	DDGD	
CCCNC(=O)NNC(=O)Cc1cccc(N2CCCC2=O)c1	784907180	HISYEHWBZMBRTC-UHFFFAOYSA-N	318.377	1.096	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)C12CCC(CC1)C2	784057447	QGKYZTXVQTWMHF-UHFFFAOYSA-N	312.373	1.605	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NCCN1CCC[C@H]1C	897488160	XAMWIEXGCWOJAW-CQSZACIVSA-N	318.421	1.352	50	20	DDGD	
N#Cc1ccc(Cl)c(NC(=O)C(=O)NNc2ccccn2)c1	784792029	FCSDXIKUELOFQC-UHFFFAOYSA-N	315.720	1.688	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@@H]1CCCC[C@H]1C(N)=O	781099352	UQAMOUUZZMTBCG-OPRDCNLKSA-N	319.243	1.956	50	20	DDGD	
CSc1ccncc1NC(=O)C(=O)NN(C)c1ccccc1	783433987	AMTLEYGYHCWQEG-UHFFFAOYSA-N	316.386	1.910	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1cnn(C(C)(C)C)c1C	787154017	TWAABRAIMVPWNQ-UHFFFAOYSA-N	307.398	1.712	50	20	DDGD	
O=C(NN=CCc1ccc([N+](=O)[O-])cc1)c1ccc(O)c(O)c1	793051752	NCHXXYHNTAQQPV-UHFFFAOYSA-N	315.285	1.964	50	20	DDGD	
CC(=NNC(=O)c1cccc(S(C)(=O)=O)c1)c1cc(C)on1	790287383	QUXQVYNQHNBTRQ-UHFFFAOYSA-N	321.358	1.541	50	20	DDGD	
O=C(Cc1ncccc1F)NNC(=O)c1cc2c(s1)CCC2	792016914	CUKFAERAAVBMLF-UHFFFAOYSA-N	319.361	1.775	50	20	DDGD	
CCCCO[C@H]1CC(=NNC(=O)N2CCN(C)CC2)C1(C)C	790173428	FVOLDZYBRZVXFL-AWEZNQCLSA-N	310.442	1.915	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)nc1	793890091	WOXGIKNMPPEYEU-GOGUNFLPSA-N	311.385	1.927	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2sc(C)nc2C)n1	797634056	ZORGZBKNXDGYKA-UHFFFAOYSA-N	305.363	1.930	50	20	DDGD	
CSSCCNC(=O)NNC(=O)CCc1ccccc1	790877206	AEYFWEMYWCAGDK-UHFFFAOYSA-N	313.448	1.961	50	20	DDGD	
COCCCNC(=O)NN=C1CC[C@H](C)C[C@H]1n1cncn1	794498906	FUTJNSWXTWXWLA-WCQYABFASA-N	308.386	1.331	50	20	DDGD	
C=C(C)COc1cc(/C=C(\C#N)S(N)(=O)=O)ccc1OC	799894281	QTXHWVDWWUYBCG-WUXMJOGZSA-N	308.359	1.803	50	20	DDGD	
Cc1cc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])c(C)nn1	791069664	RUAMATVDDFIHGC-UHFFFAOYSA-N	305.269	1.898	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1cc(Cl)nc(N)n1)c1cccnc1	797979510	BHVUGLUZVSGXBA-LBPRGKRZSA-N	320.784	1.990	50	20	DDGD	
Cn1cc(C(=O)CCC(=O)NNc2c(F)cccc2F)cn1	793709788	SDNWYPGAVTUZII-UHFFFAOYSA-N	308.288	1.805	50	20	DDGD	
O=C(COc1ccc(F)cc1)NN=C1CC(=O)N2CCCC[C@@H]12	799472596	QIEQLODNAKWUNG-AWEZNQCLSA-N	319.336	1.462	50	20	DDGD	
O=C(CCl)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1	1319674729	RWVXILUMYAVHFV-CQSZACIVSA-N	321.808	1.175	50	20	DDGD	
C[C@@]1(CNC(=O)c2c[nH]cc(Cl)c2=O)C[C@H]1Br	1328593856	DBCSYPDFNNHXOY-KCJUWKMLSA-N	319.586	1.932	50	20	DDGD	
COc1ccc(NNC(=O)c2ncoc2[C@H]2CCCO2)nc1	1321570604	NVSNLPIVKUQZFQ-SNVBAGLBSA-N	304.306	1.687	50	20	DDGD	
CC(C)c1nnc(CCC(=O)NNC(=O)CC(F)(F)F)o1	1323450757	DQEWMPAIGYZMHY-UHFFFAOYSA-N	308.260	1.225	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCC[C@H](F)C2)cc1	1328118568	BIOKEPBOJXGPBS-QWHCGFSZSA-N	304.325	1.783	50	20	DDGD	
C[C@@]1(CNC(=O)[C@@H](N)Cc2ccccc2)C[C@H]1Br	1328505787	MNQGUDNQDCGNKW-SCRDCRAPSA-N	311.223	1.846	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1CC	1320051709	GMDHBMPCSXBBBY-UHFFFAOYSA-N	317.389	1.195	50	20	DDGD	
C[C@@H]1CSC[C@@H]1NC(=O)NNc1nncc(N)c1Cl	1326581134	MAWJPCBJTADUSX-VDTYLAMSSA-N	302.791	1.090	50	20	DDGD	
COC(=O)c1cc2c(C=NNC(=O)CCO)ccc(OC)c2o1	1252569355	SDPCPXSFQGIPMK-UHFFFAOYSA-N	320.301	1.061	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCCN2C(C)C)cc1	1335476193	UPIIGBWCALQLRB-AWEZNQCLSA-N	305.378	1.329	50	20	DDGD	
O=C(NC[C@@H]1CCc2ccccc21)NNC(=O)C1CCOCC1	1331933781	RBYLTJSFDREYBX-AWEZNQCLSA-N	317.389	1.473	50	20	DDGD	
O=C1NCC[C@]1(C(=O)NNc1cc(Cl)ccn1)C1CCCC1	1331523523	JHMAJZHPWATWHL-HNNXBMFYSA-N	322.796	1.875	50	20	DDGD	
Cn1nc(C(F)(F)F)cc1C=NNC(=O)C1CCOCC1	1331991857	PROZHZSDZUVQQB-UHFFFAOYSA-N	304.272	1.316	50	20	DDGD	
Cc1ccc2c(c1)CC[C@H](C(=O)NNC(=S)NC(C)C)O2	1339599535	LAFDOLWTLMEKSV-CYBMUJFWSA-N	307.419	1.592	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Nc2ccnc(OC)c2)cc1	1342289196	NOHKAKXFJYXEKM-UHFFFAOYSA-N	316.317	1.565	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@H]1CCCCO1)c1ccc(F)cc1F	1261265094	SUIAPTGLUWZWTK-TVQRCGJNSA-N	312.316	1.785	50	20	DDGD	
C[C@H]1CN(C(=O)C2CCC(Cl)CC2)CCN1S(C)(=O)=O	1351732564	UYMHJBFDESNNST-UNXYVOJBSA-N	322.858	1.276	50	20	DDGD	
COC(=O)c1cc(CN2CC=C(C#N)CC2)cc(C(=O)O)c1	1606542345	XPBVYSJOTUTQQV-UHFFFAOYSA-N	300.314	1.827	50	20	DDGD	
COCc1cc(NC(=O)NN=c2cc[nH]cc2)cc(C(=O)O)c1	1606949097	ZGYFVAGNAWAJGE-UHFFFAOYSA-N	316.317	1.497	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@H](O)C2CCCCC2)c1F	1602446846	VBDOTVPCIXLISU-CYBMUJFWSA-N	310.325	1.908	50	20	DDGD	
O=C(NN=C[C@H]1CCCOC1)c1ccc(-c2nn[nH]n2)cc1	1606850180	CJDRMMQIWCPXDL-SNVBAGLBSA-N	300.322	1.009	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H](C(=O)O)C1)c1cc2ccccc2o1	1601555657	DSAWVWHLWNJSMW-AOOOYVTPSA-N	302.286	1.305	50	20	DDGD	
O=C(CCCn1cccn1)NNc1cccc(F)c1C(=O)O	1608309349	NOYOMPLSQLGQIB-UHFFFAOYSA-N	306.297	1.644	50	20	DDGD	
COc1ccc2nc(NNC(=O)[C@H](C)C(=O)O)c(C)cc2c1	1604851037	HTGLESRAAJILNW-VIFPVBQESA-N	303.318	1.716	50	20	DDGD	
COc1c(NC(=O)NNc2ncncc2F)cccc1C(=O)O	1607034620	MNLLKGYMFQPMLS-UHFFFAOYSA-N	321.268	1.471	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1ccccc1O[C@@H](C)C(=O)O	1606900740	USUPIGRNROBGTM-GJSJWPQCSA-N	319.313	1.635	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)c1csc(-c2nn[nH]n2)c1	1606862226	ZKTAKMKMVQKREE-UHFFFAOYSA-N	322.741	1.129	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)O)cn1	1600947157	SBXNMZGPEFVBOA-ZECYCWBOSA-N	314.345	1.039	50	20	DDGD	
O=C(NCc1ccccc1)NNC(=O)c1ccccc1C(=O)O	1608471908	QXHKRIXMOYPQTM-UHFFFAOYSA-N	313.313	1.529	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2ncncc2Cl)c(F)c1	1610822707	UEXNGFUOVBRXGI-UHFFFAOYSA-N	310.672	1.724	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)NN=Cc1cccnc1	1549314555	IJIPLCYXXWENAP-DZGCQCFKSA-N	313.361	1.433	50	20	DDGD	
CC1(C)CN[C@H]1C(=O)NNC(=O)c1cc2c(s1)CCCCC2	1573614542	KYEDIXBLYLKGNW-ZDUSSCGKSA-N	321.446	1.776	50	20	DDGD	
CC[C@@H](C)C[C@H](N)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	1576984665	ZMQKTGRPHPBYFR-RISCZKNCSA-N	316.405	1.621	50	20	DDGD	
CC(=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)CCl	1847435766	WCTBPHWWLFJBNU-QWRGUYRKSA-N	300.786	1.042	50	20	DDGD	
O=C(NCC12CC(CN1)C2)NNc1ccc([N+](=O)[O-])cc1F	1580637491	DFLNJPOHVOJTGB-UHFFFAOYSA-N	309.301	1.112	50	20	DDGD	
Nc1cccc(C2CCN(CC(=O)NNC(=O)C3CC3)CC2)c1	1580455091	MOJQLYMAWIFHAB-UHFFFAOYSA-N	316.405	1.006	50	20	DDGD	
C[C@@H]1C[C@]1(C)C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1845084744	IMCGFUMSACGKSO-NRUUGDAUSA-N	302.777	1.770	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)[C@H]2C[C@H]2C2CC2)C1	1841270606	LKEMZRWNCSCVDC-SRVKXCTJSA-N	314.788	1.770	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N[C@@H](C)CC(=O)O)c1ccccc1	1589429022	CXKSOTOVOHJMBV-CMPLNLGQSA-N	307.350	1.374	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNc2ccc(CC(=O)O)cc2)[C@H]1C	1594636865	XWOCVLZYTOPREF-KIGUWFBYSA-N	306.362	1.816	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)c1	1598999547	LTEYGJDAJNGIMU-QWHCGFSZSA-N	320.345	1.807	50	20	DDGD	
CC(C)(C)[C@@H](O)C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1841313971	GKSZXKQFTPZUPK-UWVGGRQHSA-N	320.792	1.131	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H](C(=O)NNc2ccc(C(=O)O)cn2)C1(C)C	1594122598	PRRJZMWNMOUXLG-KOLCDFICSA-N	319.361	1.864	50	20	DDGD	
COc1ccc(NNC(=O)Nc2nc(CC(=O)O)cs2)nc1	1599598182	OCTXBUPECPXZKD-UHFFFAOYSA-N	323.334	1.322	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccnc(C(=O)O)c2)C[C@@H]1Br	1594027132	MEUYBRPZHWIMCZ-CABZTGNLSA-N	313.151	1.683	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc(C(=O)O)c2)c(O)c1	1594346851	IVTKZXFRXKBYIS-UHFFFAOYSA-N	314.297	1.474	50	20	DDGD	
CCc1cc(C(=O)O)ccc1NC(=O)NNc1nnc(C)n1C	1597464386	JKAZQRVWPXFFHN-UHFFFAOYSA-N	318.337	1.533	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl)c1cnoc1	1796809169	PEDVCVLNLWKUKA-LMLFDSFASA-N	315.732	1.461	50	20	DDGD	
COCCC1(C(=O)NNc2nc3ccccc3c(=O)n2C)CC1	162240629	TVROEYZRDXRUFL-UHFFFAOYSA-N	316.361	1.193	50	20	DDGD	
Cc1cc(C(=O)NNc2cccc(C#N)c2)c2c(=O)[nH]n(C)c2n1	152335493	UCRIURFSPMIONC-UHFFFAOYSA-N	322.328	1.199	50	20	DDGD	
CC(C)(C)OC(=O)NCC(F)(F)CNS(=O)(=O)CCl	831158756	LEKRVFWLZGAUPT-UHFFFAOYSA-N	322.761	1.262	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NNC(=O)NC)c1C	56376759	SOVYSFDFRUITLJ-JYRVWZFOSA-N	303.366	1.382	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CCNC(=O)c2ccsc2)n1	22234959	SLZXCOPFUGJIFU-UHFFFAOYSA-N	319.390	1.418	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](C)c2c(C)noc2C)nc1	179795374	NXANWSKKFICREU-MRVPVSSYSA-N	318.333	1.720	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(C)c(OC)c(C)c2)n1	179734127	HBBWHPAPBORZCS-UHFFFAOYSA-N	302.334	1.868	50	20	DDGD	
O=C(CCOC[C@H]1CCCO1)NNc1cccc([N+](=O)[O-])c1	178846518	BOJKHPLYAJIYOU-CYBMUJFWSA-N	309.322	1.624	50	20	DDGD	
COc1ccc([C@H](C)N(C)CC(=O)NNC(=O)C2CC2)cc1	112976447	LNVSKNAXOFXQJO-NSHDSACASA-N	305.378	1.245	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCOC[C@@H]1CC(C)C	113941603	HFWFCNBDEZHFLR-KBPBESRZSA-N	313.442	1.315	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Cc2cn3ccccc3n2)c1	173896718	AXEWPAAGTQFSKP-UHFFFAOYSA-N	324.340	1.347	50	20	DDGD	
COCCOc1cccc(C(=O)NNc2cc(C)ncn2)c1	172273956	BHTRAQGBXYHCDL-UHFFFAOYSA-N	302.334	1.567	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=O)NCCCOC)c1C1CC1	127491582	DOMXPBXYMOVSAX-UHFFFAOYSA-N	323.397	1.151	50	20	DDGD	
Cc1noc(C)c1CSCC(=O)NNC(=O)c1ccccn1	69141224	FGYXSGNMNYESPT-UHFFFAOYSA-N	320.374	1.381	50	20	DDGD	
NC(=O)NCCCCC(=O)NNc1cccc2c1CCCC2	120158644	GIAYYUHGVWIFFZ-UHFFFAOYSA-N	304.394	1.847	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NC1CCCC1	31026513	GMSFXIMLKBMBNS-SNVBAGLBSA-N	309.341	1.866	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc(C#N)c(O)c2)cc1	188396340	SSDYYRWQRYZEDA-UHFFFAOYSA-N	306.281	1.210	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNc1nnc(C2CC2)s1	184459974	GBIZOXZFYKSOKJ-JTQLQIEISA-N	323.422	1.650	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)/C=C/c1ccc[nH]1	189539366	LFRBCZMPBSVGJO-CMDGGOBGSA-N	315.329	1.263	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Br)c1ccnnc1	128916821	RXYMTGRGRQGUKW-UHFFFAOYSA-N	321.134	1.314	50	20	DDGD	
Cc1ccc(F)cc1NC(=O)C(=O)NNC(=O)CC1CCCC1	125917442	XTXBHQRJHLNJGB-UHFFFAOYSA-N	321.352	1.800	50	20	DDGD	
CCC[C@@H]1C[C@@H](C(=O)NNC(=O)NCc2ccco2)CCO1	183617381	NMZWGGISQGIPEB-NWDGAFQWSA-N	309.366	1.705	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C[C@@H](C)c1ccc(F)cc1F	127559893	RMZHWNMGYXTGPM-MRVPVSSYSA-N	322.315	1.951	50	20	DDGD	
CCOc1cc(F)ccc1NC(=O)NNC(=O)c1cc(C)n[nH]1	184138503	UVAIMTLLKWMNIB-UHFFFAOYSA-N	321.312	1.722	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)C(=O)Nc1ccc(F)nc1	187458548	KOQHDBDMAIBZHN-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
CNC(=O)CCCN(C)C(=O)/C(C#N)=C\c1ccc(F)cc1	183750110	INGOVMKNGYJFFV-RAXLEYEMSA-N	303.337	1.717	50	20	DDGD	
CCN1CCC[C@@H]1CNC(=O)NNC(=O)Cc1ccccc1F	74492984	JCYJHXOSUIPTAG-CYBMUJFWSA-N	322.384	1.183	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1cc(Cl)ccn1	124409885	BNVCSKIUVYOYRM-UHFFFAOYSA-N	319.748	1.713	50	20	DDGD	
Cc1cc(S(C)(=O)=O)cc(C(=O)NNc2ccncc2)c1C	180511515	UIPKYCYQAHPVQN-UHFFFAOYSA-N	319.386	1.859	50	20	DDGD	
CC(C)(C)c1ncc(NC(=O)NNC(=O)c2ccc[nH]2)cn1	184632858	FQMNQBIKIAKDHN-UHFFFAOYSA-N	302.338	1.569	50	20	DDGD	
CCO[C@@H](C)C(=O)NNC(=O)c1cc(-c2ccc(C)cc2)n[nH]1	127101842	KRPGVKLILJBPTQ-NSHDSACASA-N	316.361	1.571	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Cc1cc(C)on1)c1ccccc1	74594028	FVQMFEPKEDQIHA-AWEZNQCLSA-N	301.346	1.867	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1CSc2ccccc21	131978271	FZEDCANNSDINLX-SNVBAGLBSA-N	302.359	1.818	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2ccccc2Cl)n1	42931583	AOGIJFHSRRRXTG-UHFFFAOYSA-N	307.741	1.965	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCc2sc(C)nc2C)o1	84158313	VRADLQPNMKVEST-UHFFFAOYSA-N	322.390	1.848	50	20	DDGD	
CCc1nn(C)c(CC)c1CC(=O)NNc1ccc(OC)cn1	190721604	YPQGOGFCUCDUKY-UHFFFAOYSA-N	317.393	1.634	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)[C@@H]2CC[C@@H](C(N)=O)O2)cc1	193783683	QAXDTMJJESNBOP-STQMWFEESA-N	305.378	1.460	50	20	DDGD	
COc1nccnc1NNC(=O)c1cnc(-c2ccccc2)nc1	132176480	CEVDNDHVULOVGE-UHFFFAOYSA-N	322.328	1.699	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC1(Cc2ccccc2)CC1	131172215	NGQYGSHIBWERGN-UHFFFAOYSA-N	305.378	1.376	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)Cc2ccsc2)c1	192864668	OQCDWKXKZYGHEX-UHFFFAOYSA-N	319.386	1.559	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@H]1COc2ccccc21)C1CC1	83675659	DPYPYSFCCHEQMV-SKDRFNHKSA-N	305.403	1.456	50	20	DDGD	
Cc1cc(C)c(C)c(OCCC(=O)NNC(=O)C(C)(C)O)c1	192929575	WUFZWLPUBFOQSN-UHFFFAOYSA-N	308.378	1.299	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2COc3ccc(F)cc3C2)o1	90426313	FJYKUFNTPUAZIB-NSHDSACASA-N	318.304	1.739	50	20	DDGD	
COC(=O)CCN1CCN(C[C@H](C)CBr)[C@@H](C)C1	248736414	QUNZPLJSBLTZHB-NEPJUHHUSA-N	321.259	1.587	50	20	DDGD	
O=C(NN/C=C1\C(=O)NC(=O)c2ccccc21)Nc1ccccc1	255662290	ICXPCJIDIVLINH-UVTDQMKNSA-N	322.324	1.624	50	20	DDGD	
CC[C@H](Sc1ccccc1)C(=O)NNC(=O)C(=O)NC(C)C	264789025	SBTAPYBDKUOAFI-LBPRGKRZSA-N	323.418	1.229	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc(Br)cn1	263904892	RRJUEXAKZXMLTQ-UHFFFAOYSA-N	301.144	1.197	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1	276800340	YCBCIXGTJQVDRJ-GFCCVEGCSA-N	314.345	1.475	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccncn2)c1C	275119777	PECXRKKXTOBEKL-LBPRGKRZSA-N	314.345	1.322	50	20	DDGD	
COC(=O)C1(O)CCN(/C(=C/C#N)c2ccc(F)cc2)CC1	271474364	UXRWOGHXZBQPLM-MKMNVTDBSA-N	304.321	1.690	50	20	DDGD	
O=C(NCc1cc(Cl)cc2c1OCC2)NNC(=O)C1CCC1	273248320	GSXSAUFVBLKLFM-UHFFFAOYSA-N	323.780	1.905	50	20	DDGD	
C[C@@H]1COc2ccccc2CN1S(=O)(=O)CBr	273036061	VOYFQBXVASBVEK-SECBINFHSA-N	320.208	1.952	50	20	DDGD	
COc1ccc(OC)c([C@H]2C[C@H]2C(=O)NNC(=O)C2CCC2)c1	276564633	UDVUMTPVMQAODD-TZMCWYRMSA-N	318.373	1.755	50	20	DDGD	
Cc1c(NNC(=O)NOC[C@@H]2CCOC2)cccc1[N+](=O)[O-]	276317798	NBCPIQFKBPKTIO-SNVBAGLBSA-N	310.310	1.497	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CC2(OC)CCC2)n1	276843777	RFUKUTLUSMNEEU-UHFFFAOYSA-N	307.398	1.725	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCc1nc(-c2ccsc2)no1	378374286	FIEWGILEPKIPCC-UHFFFAOYSA-N	323.378	1.423	50	20	DDGD	
COC1(CC(=O)NNC(=O)COc2ccc(F)cc2)CCC1	276682521	LFAXRBKKJBGPET-UHFFFAOYSA-N	310.325	1.311	50	20	DDGD	
Cn1cc(NC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cn1	273434187	PTOHXSZWNZVRQN-UHFFFAOYSA-N	317.393	1.789	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](C)n2nnnc2C(C)(C)C)cc1	273378849	GJNOEGXFWFMTJZ-JTQLQIEISA-N	318.381	1.684	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1SCCc2sccc21	281174942	JENAYQFNZPQZLL-JTQLQIEISA-N	313.473	1.760	50	20	DDGD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)c1c[nH]c2ccccc12	280409264	YESGQALMPFWYKA-MNOVXSKESA-N	313.357	1.934	50	20	DDGD	
NNC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1	371434723	XODPGWSDJJRMRO-SECBINFHSA-N	313.304	1.130	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cccc(NC(=O)OC(C)(C)C)n1	280690190	FRACRSMPJCBTCC-UHFFFAOYSA-N	323.353	1.345	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(C(C)C)nc1	287691706	CZYWVJQXTJXBCP-UHFFFAOYSA-N	323.393	1.755	50	20	DDGD	
CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NNC(=O)C(C)(C)C	282872218	WFIZMBHOBALAIZ-UHFFFAOYSA-N	322.365	1.856	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)Cc2cccnc2C)n1	288290204	HDNOAKMEDOINDG-UHFFFAOYSA-N	314.393	1.712	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc2c(O)nccc2c1)[C@@H]1CCOC1	287645203	ZQKWWBIMHNEWLA-CMPLNLGQSA-N	316.361	1.992	50	20	DDGD	
Cc1cc(C)n([C@@H](C)CC(=O)NNC(=O)N=c2cc[nH]cc2)n1	802025168	UXAZOINKFRKONU-LBPRGKRZSA-N	316.365	1.121	50	20	DDGD	
COc1cccnc1CC(=O)NNc1ncccc1[N+](=O)[O-]	807060633	DETCOYROPMBDOT-UHFFFAOYSA-N	303.278	1.079	50	20	DDGD	
O=C(NCc1cccc(C(F)(F)F)n1)NNC(=O)C1CCC1	297924089	VAVDWQYLLHQQHI-UHFFFAOYSA-N	316.283	1.731	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@H](C)c2cccc(O)c2)O1	298523464	XEDCUHRVTBVCHQ-CWSCBRNRSA-N	307.350	1.351	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O	299077126	IPUYYBUGMLHTQF-LBPRGKRZSA-N	321.352	1.372	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNc1cnc2ccccc2n1	809799807	WJIIZSYOXBVFBG-JTQLQIEISA-N	302.334	1.662	50	20	DDGD	
CCOC1(CNC(=O)NNC(=O)Cc2ccncc2)CCCC1	297807852	PPFWVHUFGRSYBF-UHFFFAOYSA-N	320.393	1.304	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C2(O)CCCCC2)cc1	802063002	XHJGKDHFKIWIKB-UHFFFAOYSA-N	307.350	1.543	50	20	DDGD	
C[C@H](C(=O)NNc1ccncn1)[C@@H](C)NC(=O)OC(C)(C)C	295329675	ASPPDJYIUXKZJE-VHSXEESVSA-N	309.370	1.469	50	20	DDGD	
O=C(Cc1n[nH]c2c1CCCC2)NNc1nc2ccccc2[nH]1	807174084	ULGPWRYWOQEIHY-UHFFFAOYSA-N	310.361	1.851	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1cccc(-c2ncco2)c1	297823060	QRPVFNOESWUXAO-LBPRGKRZSA-N	316.317	1.673	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)CCCc1ccccc1)C1CC1	296251199	GIVLBGRYXSDNKH-OAHLLOKOSA-N	319.405	1.765	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(F)ccc1Cl	292946083	GIBANXLOPFIHJR-UHFFFAOYSA-N	303.721	1.460	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2	291486561	AVFYXFMEDRIBJG-NOOOWODRSA-N	323.393	1.259	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NNc2nnc[nH]2)c1C	298560405	ZEPWQFWGYOIATR-NTUHNPAUSA-N	313.365	1.683	50	20	DDGD	
Cc1[nH]nc2ncc(C(=O)NN(C)C(=O)OC(C)(C)C)cc12	297563554	GQJNYSXKIJTNDD-UHFFFAOYSA-N	305.338	1.778	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@H]2CCCCO2)cc1F	295263374	BGSPCNPHTWIBKQ-CQSZACIVSA-N	324.352	1.483	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(C#N)cc(N(C)C)c2)nc(C)n1	296008664	YHEZQMOHNLNDHL-UHFFFAOYSA-N	310.361	1.788	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSc1cccc([N+](=O)[O-])c1	800837937	IGHDXFOPVZVTNX-UHFFFAOYSA-N	311.363	1.880	50	20	DDGD	
COCCC[C@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802095472	GIGIBIJYANGMAO-JTQLQIEISA-N	323.349	1.631	50	20	DDGD	
COc1ccc(NNC(=O)c2cncc(-n3ccnn3)c2)cc1	802523093	KOEYJDVYVQRSHF-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cccnc1F)c1ccccc1	806824968	VPXBPHCUKACEQV-UHFFFAOYSA-N	301.321	1.960	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2cc(F)c[nH]2)cc1C	814779140	GYQSZIVRDPWSBU-UHFFFAOYSA-N	318.308	1.170	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@](C)(O)c2ccc(Cl)cc2)n1	814977635	WCUYYTSGDOHCMD-AWEZNQCLSA-N	322.752	1.489	50	20	DDGD	
Cn1c(N)nc(Cl)c1C=NNC(=O)c1cc2c(s1)CCC2	814739104	ZTYREKGPWRCFAA-UHFFFAOYSA-N	323.809	1.970	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H](C)c1cccc(Br)c1	812533498	BKVJNDKPNJCYNL-MRVPVSSYSA-N	314.183	1.903	50	20	DDGD	
O=C(NN=Cc1ccc(C2CCC2)cc1)[C@@H]1CCS(=O)(=O)C1	814782208	SMPJSCYRZOQLBF-OAHLLOKOSA-N	320.414	1.839	50	20	DDGD	
CC(C)(CCNC(=O)NNc1ncnc2ccsc12)C(=O)O	818625068	WSBKJHSEEJPVDG-UHFFFAOYSA-N	323.378	1.818	50	20	DDGD	
C[C@@H]1C(=NNC(=O)c2cnn(C)c2)CCN1Cc1ccccc1	811643288	AOENUEUPXFGPLB-CYBMUJFWSA-N	311.389	1.800	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)c2cccs2)CCC1(F)F	810044691	LHFNHRGRWBLEOH-SECBINFHSA-N	317.361	1.486	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H]2CCc3nccn3C2)cc1	817904744	OUDDCNVRQIQPNQ-GFCCVEGCSA-N	300.362	1.988	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1ccc(O)c([N+](=O)[O-])c1	815002660	LOANSMHFFKJQFO-UHFFFAOYSA-N	301.262	1.273	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2cc(Cl)nc(Cl)c2)CC1=O	819740871	ACGIAQDIMGHWJG-ZETCQYMHSA-N	317.176	1.700	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1cc(Cl)c[nH]1	728078694	QOPIPNJXBICKCK-UHFFFAOYSA-N	304.697	1.870	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCCn1c(C)cc(=O)cc1C	810585097	KWEOCVWZQSGZCO-UHFFFAOYSA-N	322.409	1.376	50	20	DDGD	
COc1ccc(C(=O)CCCCC(=O)NN(C)[C@H](C)CO)cc1	823934209	DMHRGOZYCDUYTP-CYBMUJFWSA-N	322.405	1.782	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN(C)[C@@H](C)CO	823940248	VNSCKRGZGBEJJJ-SRVKXCTJSA-N	317.430	1.270	50	20	DDGD	
O=C(NNc1ncccn1)Nc1ccc(N2CCOC2=O)cc1	496442728	ZHIFCIMNWVNYPB-UHFFFAOYSA-N	314.305	1.582	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNC(=O)Cc1ccccc1OC	491713908	FBALBUKNBCFCMA-CYBMUJFWSA-N	303.362	1.370	50	20	DDGD	
C[C@@H](C1CCN(C)CC1)N(C)C(=O)/C(C#N)=C\c1cnn(C)c1	491107605	VYYJZCYDCDJWRL-LWLPBDFMSA-N	315.421	1.516	50	20	DDGD	
CC(=NNC(=O)c1ccoc1)c1ccc(-c2nn[nH]n2)s1	823953809	RAQADZCOJBTBAC-UHFFFAOYSA-N	302.319	1.675	50	20	DDGD	
O=S(=O)(c1csc2ccccc12)N1CC[C@@H](B(O)O)C1	585055682	CVCSUANBCSQXTB-SECBINFHSA-N	311.193	1.139	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1c(C(F)(F)F)nc2ccccn12	823917008	CKIYXAJFPUPVJJ-QMMMGPOBSA-N	316.283	1.311	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@@H](CN1CCCC1)c1ccccc1	824627465	ODMMKYGJDKOYLY-AWEZNQCLSA-N	304.394	1.168	50	20	DDGD	
C[C@](Cc1ccccc1)(NC(=O)c1ccc(B(O)O)cc1)C1CC1	585000504	QGDXXDUFFRYNQM-LJQANCHMSA-N	323.201	1.508	50	20	DDGD	
CCc1c(NCc2ccccc2B(O)O)cnn1C1CCCC1	585038103	SAGLKGPVGVJFRO-UHFFFAOYSA-N	313.210	1.853	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C	492329042	PNJLPTGIQGSQLJ-MNOVXSKESA-N	313.398	1.435	50	20	DDGD	
CCOCC(=O)NN[C@@H](C(=O)O)c1cc(Cl)cc(Cl)c1	829940514	TVCGUOIPGWOTGU-LLVKDONJSA-N	321.160	1.776	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)o1)[C@@H]1Oc2ccccc2[C@H]1C	585025757	BWSBKHBPMBZDIV-OHUAYANFSA-N	301.151	1.002	50	20	DDGD	
COC(=O)c1cc(/C=C(/C#N)C(=O)N=c2cc[nH]cc2)cn1C	490969363	DPQRFDFTPOXKHJ-GHXNOFRVSA-N	310.313	1.174	50	20	DDGD	
COC(=O)NNC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2	490598227	YIMDWPXDCORBIR-UHFFFAOYSA-N	323.393	1.096	50	20	DDGD	
CCCCS(=O)(=O)CC(=O)OC[C@H](C)CBr	909946975	DQXCBLFRNMZXLC-SECBINFHSA-N	315.229	1.776	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)N[C@@H]1CCC[C@@H]2C[C@@H]21	827599830	JJCAXIRBBQDPEX-GRYCIOLGSA-N	313.365	1.477	50	20	DDGD	
CC(C)(C)c1ccc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1	730575863	JEFAOYQYARXEQF-ZDUSSCGKSA-N	322.430	1.869	50	20	DDGD	
CNC(=O)[C@]1(C)CCN(C(=O)[C@]2(C)C[C@@H]2Br)C1	907939758	MCWSJJZHVPDBJR-XXILOJSOSA-N	303.200	1.145	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(F)cc2ccoc12	820941929	JCNUHWYGAQKALS-LBPRGKRZSA-N	306.293	1.902	50	20	DDGD	
C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)NNc1ncccn1	495843390	UFBCCHODXRSDPN-JTQLQIEISA-N	324.385	1.406	50	20	DDGD	
CN(CC1(O)CCCCCC1)C(=O)/C(C#N)=C/c1cnn(C)c1	491048338	KWNUYSLLWDDLMP-OQLLNIDSSA-N	316.405	1.871	50	20	DDGD	
Cc1ccc2c(c1)C(=NNC(=O)c1ccnc(N(C)C)c1)C(=O)N2	731561544	KYLUZRGSPOLOPY-UHFFFAOYSA-N	323.356	1.542	50	20	DDGD	
O=C(CC1CC(c2ccccc2)C1)NNC(=O)c1ncon1	832825583	AEWSBKURHDFTLV-UHFFFAOYSA-N	300.318	1.415	50	20	DDGD	
C[C@@H](COc1ccccc1)NC(=O)NNC(=O)[C@@H]1CCCCO1	837742536	CJIVAULGUIBDRZ-JSGCOSHPSA-N	321.377	1.353	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CCN(C3CC3)C2)cc(C#N)n1C	490636986	DSWGYTMGLYSWOF-KEQVLUGWSA-N	323.400	1.465	50	20	DDGD	
COc1ccccc1OCC(=O)NN=CCCc1cnoc1	834922207	BYIGZZYTELJQOJ-UHFFFAOYSA-N	303.318	1.797	50	20	DDGD	
OB(O)c1cccc(-c2noc([C@@H]3CCCC(F)(F)C3)n2)c1	585051827	FDPVTTYHWUUDJO-SNVBAGLBSA-N	308.093	1.709	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NCC(C)(F)F)cc1	836482081	RZOOQFYGCTYMOW-UHFFFAOYSA-N	315.320	1.613	50	20	DDGD	
CNC(=O)NNC(=O)C(C)(C)c1ccc(C(F)(F)F)cc1	900352298	ARFXKTKXFUYYKL-UHFFFAOYSA-N	303.284	1.943	50	20	DDGD	
COC[C@H](C)NC(=O)NNc1cccc(Br)n1	837329591	NZLQWWFWAIZCSD-ZETCQYMHSA-N	303.160	1.505	50	20	DDGD	
Cc1[nH]ccc(=NC(=O)NNC(=O)[C@@H]2CCCCO2)c1Cl	836498845	VIWNQKFIMQXCQU-JTQLQIEISA-N	312.757	1.187	50	20	DDGD	
COc1ccc([C@H](C)[C@@H](C)NCc2ccc(B(O)O)o2)cc1	585026085	IICWUDFJTRTTHV-VXGBXAGGSA-N	303.167	1.250	50	20	DDGD	
CCN(C(=O)c1cc(B(O)O)ccc1F)[C@@H]1CCCC[C@@H]1C	584940083	OYAJAOWNZOSZKL-XHDPSFHLSA-N	307.174	1.546	50	20	DDGD	
Cc1nc(N2CCN(S(=O)(=O)CCl)CC2)sc1C	830944867	RJRXKAKCEMLRMI-UHFFFAOYSA-N	309.844	1.408	50	20	DDGD	
O=C(c1ncsc1-c1ccccc1)N1CC[C@@H](B(O)O)C1	585065292	WUINYIYURJCTID-LLVKDONJSA-N	302.164	1.499	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc2ccccc2c(O)n1	731879764	UEFSFVJCTZZQIN-UHFFFAOYSA-N	311.301	1.047	50	20	DDGD	
O=C(CO)NN=C1CCN(Cc2ccccc2)[C@H]2CCC[C@H]12	834971041	UCRWXMHTZYJNHX-ZBFHGGJFSA-N	301.390	1.526	50	20	DDGD	
COc1ccc(CCCCCC(=O)N2CC[C@@H](B(O)O)C2)cc1	585065244	DYPZMKRACHZYMF-OAHLLOKOSA-N	319.210	1.873	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)c1cc2c(cc1O)OCO2	730289160	XQBQGJOLAPVTBF-UHFFFAOYSA-N	323.308	1.848	50	20	DDGD	
Cc1cc(C)cc(C[C@@H](C)NC(=O)c2ccc(B(O)O)cc2)c1	584951040	HLPHUQQGEVBQLN-CQSZACIVSA-N	311.190	1.344	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(OCC)ccc1Cl	836722326	VWTOJQJZWBDIJF-UHFFFAOYSA-N	315.757	1.928	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=Cc1ccccc1Cl	730585991	XPOWQHMWMWGSDX-UHFFFAOYSA-N	322.777	1.817	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)NC1CCC(F)(F)CC1	838529282	QRQYENFMCWXONW-JTQLQIEISA-N	305.325	1.464	50	20	DDGD	
C[C@@H](CCc1ccc(F)c(F)c1)NCc1cccc(B(O)O)c1	585023598	JVHANHXFCZWNGI-LBPRGKRZSA-N	319.160	1.756	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C1CCC(O)(C(F)(F)F)CC1	735411592	KHHRDMPZYOMMFQ-UHFFFAOYSA-N	304.272	1.671	50	20	DDGD	
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NN(C)C[C@@H](C)O	910176870	FSLRWQBAQAFZFE-MLGOLLRUSA-N	317.389	1.294	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)CCN2CCCCCC2)o1	915951507	DNJZMDXNARFIBZ-UHFFFAOYSA-N	321.377	1.782	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCC(=O)NC1CCCCC1	918125679	NDIFQGULXCWHQE-UHFFFAOYSA-N	312.414	1.202	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F	910158366	CUCTUFBVOKRGAD-SECBINFHSA-N	313.329	1.355	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)Nc1ccc2ncnn2c1	836739246	WOMXSSBNLUYHGQ-UHFFFAOYSA-N	302.338	1.462	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NN(C)C[C@@H](C)O)c1C	910172782	FPYPJXHFNGYHQD-BPKVKKHESA-N	318.421	1.766	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@@H](CO)CC1CCCCC1	841576520	FJCPOQPKWOGKKS-OAHLLOKOSA-N	319.405	1.962	50	20	DDGD	
C=CCN1C(=O)C(=NNC(=O)[C@H]2CCO[C@H]2C)c2ccccc21	842553269	DRVJPJIUKMTTDC-RYUDHWBXSA-N	313.357	1.465	50	20	DDGD	
CC(C)(N)CNC(=O)NNC(=O)Cc1ccc2ccccc2c1	841951630	WAYPDTXENKTMCO-UHFFFAOYSA-N	314.389	1.450	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(Nc2nccs2)cc1F	910149230	IBPIFXSHHUSGJV-VIFPVBQESA-N	324.381	1.983	50	20	DDGD	
O=S(=O)(CCl)NCC1CCN(Cc2ccncc2)CC1	849436657	NHURMWITZBJCDP-UHFFFAOYSA-N	317.842	1.409	50	20	DDGD	
Cc1ncsc1C=NNC(=O)c1ccc(-n2cnnn2)cc1	743428837	NVIOLLLPOOPDGK-UHFFFAOYSA-N	313.346	1.191	50	20	DDGD	
Cc1ccc(OCCNC(=O)NNc2ncccn2)c(C)c1	915929827	KFMWIEGYKKFISQ-UHFFFAOYSA-N	301.350	1.799	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)NC(=O)NNc1ccc(F)c(F)c1	918606882	KMGYYVCAWTTXOV-ZETCQYMHSA-N	307.322	1.024	50	20	DDGD	
CC(=O)Nc1cccc(C(C)=NNC(=O)[C@H]2CCO[C@@H]2C)c1	842551206	AWOCYQHRVDYTIK-ABAIWWIYSA-N	303.362	1.910	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=S)NCC2CC2)c1	849251172	FZMWEOHRUHEZSW-UHFFFAOYSA-N	307.419	1.588	50	20	DDGD	
CSCC1(CC(=O)NNC(=O)Cn2nc(C)cc2C)CC1	845087197	SMYKUKZHEDOIRY-UHFFFAOYSA-N	310.423	1.181	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc(-c3cccnc3)on2)n1	916160060	CTFZOHWYFSDDKF-UHFFFAOYSA-N	310.317	1.900	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(F)c(C(F)(F)F)cc1F	910154769	FGAYAJMCOQAFHQ-ZCFIWIBFSA-N	312.238	1.941	50	20	DDGD	
Cc1cccc(NC(=O)NNC(=O)C(C)C)c1S(C)(=O)=O	841750569	SBLSHMNRZYIMPV-UHFFFAOYSA-N	313.379	1.207	50	20	DDGD	
COc1ccc(NNC(=O)C(C)(C)CNC(C)=O)c([N+](=O)[O-])c1	845833153	ZMFIMKHYPZREPR-UHFFFAOYSA-N	324.337	1.209	50	20	DDGD	
CCn1c(O)nc2ccc(C(=O)NNC(=O)C(C)(C)C)cc21	847345147	DBGAKNOUZYOHQX-UHFFFAOYSA-N	304.350	1.569	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@@H]2CCO[C@H]2C)cc1[N+](=O)[O-]	842558333	SHOOPDFTVDPGQH-GXSJLCMTSA-N	307.306	1.479	50	20	DDGD	
C[C@@H](Cc1ccccc1)NC(=S)NNC(=O)[C@H]1CCCCO1	840776041	SXXSHRXULYKAEZ-GXTWGEPZSA-N	321.446	1.682	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)CCC(C)(F)F	916987131	SERPYZHSGACOSM-UHFFFAOYSA-N	315.320	1.690	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCCC[C@@H]1CCCN1	842006852	VXZFWTSBEZUMSY-AWEZNQCLSA-N	322.384	1.231	50	20	DDGD	
CCC[C@H](O)[C@@H](CO)NC(=O)[C@@H](Br)C(C)(C)C	840551955	QCGPECQUIOCWEY-KXUCPTDWSA-N	310.232	1.434	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Cc1ccn(-c2ccc(F)cc2)n1	742041556	AYKFSYPOIRGUKM-UHFFFAOYSA-N	318.352	1.747	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)NC1CC2(CCC2)C1	845722330	MLPYTCGTKHDCNF-UHFFFAOYSA-N	321.352	1.868	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)N(C)C)cc1Cn1cccn1	749855602	QJTXSTNUJPCLPM-UHFFFAOYSA-N	315.377	1.935	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)CCOc2ccccc2)[C@H]1OC	841622446	SMNKGYVXCLTODG-GDBMZVCRSA-N	306.362	1.752	50	20	DDGD	
CO[C@@H](C(=O)NNc1ncc(Br)cn1)C(C)C	848322071	PMMZQHPHJQXIJF-MRVPVSSYSA-N	303.160	1.353	50	20	DDGD	
O=C(CC1CCCC1)NCC(=O)NNc1ccc(Cl)nc1	743816152	LGDZIJZWGFZIHQ-UHFFFAOYSA-N	310.785	1.875	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc2ncccc2c1	741650379	ZAATWXKSQORMGU-JTQLQIEISA-N	307.375	1.590	50	20	DDGD	
Cc1nn(CC(=O)NNc2ccnc(N(C)C)n2)c(C)c1Cl	740114371	VLRFLTVVPULYBT-UHFFFAOYSA-N	323.788	1.153	50	20	DDGD	
O=C(NN=Cc1nccc2ccccc12)[C@@H]1CCS(=O)(=O)C1	740760359	AQSYUZJLJBDUIU-GFCCVEGCSA-N	317.370	1.120	50	20	DDGD	
Cc1cc(O)c(C=NNC(=O)CNC(=O)c2ccco2)cc1C	741761510	MDRLCMDXHPBXSI-UHFFFAOYSA-N	315.329	1.482	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CCCNC(=O)c1cccnc1	848082834	ZSCNFHXKOOEUEF-UHFFFAOYSA-N	318.204	1.854	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cc1cccc2cccnc12	843971099	AKYMGXAOQWEYCJ-BXUZGUMPSA-N	313.357	1.350	50	20	DDGD	
Cn1cc(C(=O)COC(=O)/C(C#N)=C\c2ccc(O)cc2)cn1	754539126	GHSXCKJGSQODAQ-SDQBBNPISA-N	311.297	1.459	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1csc([N+](=O)[O-])c1	750936611	KTVFYFQWSDTIKB-UHFFFAOYSA-N	322.302	1.129	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N(C)C[C@H]2CCCN2C)c1	858707565	YXKVSMSDPJUCTM-LLVKDONJSA-N	310.423	1.437	50	20	DDGD	
CC(C)(C)N1CC[C@H](NC(=O)NNc2ncncc2Cl)C1	852469419	VDCMJHKZSHIPNO-VIFPVBQESA-N	312.805	1.629	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C[C@@H]1CC[C@@H](C)C1	854282610	NJGIIUIWFTVUBG-VXGBXAGGSA-N	301.456	1.687	50	20	DDGD	
Cn1ncc2c1CCC[C@H]2NC(=O)NNc1ncc(Cl)cn1	856838395	BXJWUYJLAKNNEY-SNVBAGLBSA-N	321.772	1.567	50	20	DDGD	
Cc1noc2nc(C(C)C)cc(C(=O)NNC(=O)NC3CC3)c12	920766742	GNQWKQVXRVLFML-UHFFFAOYSA-N	317.349	1.761	50	20	DDGD	
CN(C)C(=O)N1CCC(NC[C@]2(C)C[C@@H]2Br)CC1	856808564	AODWNKVTHSSTSC-AAEUAGOBSA-N	318.259	1.896	50	20	DDGD	
C[C@]1(CCC(=O)NN=c2cc[nH]c3ccccc23)CCC(=O)N1	753434023	GSGHRFCFYREIKS-QGZVFWFLSA-N	312.373	1.549	50	20	DDGD	
CN1CCCC[C@@H]1C(=O)NNc1nc(O)c2ccccc2n1	758299129	CMCJWKUPBFBCOO-GFCCVEGCSA-N	301.350	1.263	50	20	DDGD	
CCc1ccc(CC(=O)NNC(=S)N[C@H](C)C2CC2)nc1	855094998	HKIGWSFWVGJRBS-SNVBAGLBSA-N	306.435	1.480	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)C1[C@@H]2CCCCCC[C@@H]12	854377476	QFZULRYITOHRAY-CHWSQXEVSA-N	302.378	1.873	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCCc2ccoc2)c1	852559650	LUWUPLPUIAFWEJ-UHFFFAOYSA-N	316.361	1.532	50	20	DDGD	
C[C@H](C(=O)NNc1cc(F)cc(Cl)c1)[C@@H](C)S(C)(=O)=O	855620104	KYVOJUOEUQPNDC-JGVFFNPUSA-N	322.789	1.991	50	20	DDGD	
O=C(NNC(=O)c1nc(Cl)ccc1F)NC1CCCC1	758817739	SCRZPNOMFLTPCW-UHFFFAOYSA-N	300.721	1.761	50	20	DDGD	
CCn1ncc(C)c1NC(=O)C(=O)NNc1cc(C)cc(C)c1	850421961	AWXGYUBIIFGCQM-UHFFFAOYSA-N	315.377	1.910	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C[C@@H]1CC[C@H](C)C1	854282608	NJGIIUIWFTVUBG-NWDGAFQWSA-N	301.456	1.687	50	20	DDGD	
Cc1noc([C@H](C)NC(=O)NNc2ccc([N+](=O)[O-])cc2F)n1	853633687	AUGQWEYNWKGLLE-LURJTMIESA-N	324.272	1.813	50	20	DDGD	
C[C@]1(CCC(=O)NNc2cc(C#N)cc(Cl)n2)CCC(=O)N1	753433109	IOCNCKCUFVJJSC-CQSZACIVSA-N	321.768	1.499	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)CC(C)C)c(F)cc1C#N	861264248	BMQDWBBYEXKPCE-UHFFFAOYSA-N	308.313	1.905	50	20	DDGD	
Cc1noc(CCC(=O)N(C)NC(=O)OCc2ccccc2)n1	862285681	TUWQMXPKPDBZQM-UHFFFAOYSA-N	318.333	1.610	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NN[C@H](C)C(F)(F)F)C1	862312385	KYGKNGSETUKQGA-AXFHLTTASA-N	323.359	1.843	50	20	DDGD	
Cn1ncc(Cl)c1C(=O)NNCC(F)(F)C(F)(F)F	863102653	RJFIMZNSCVLMED-UHFFFAOYSA-N	306.622	1.506	50	20	DDGD	
CC(C)O[C@H]1CC(=NNC(=O)Cc2cc(O)nc(O)n2)C1(C)C	764908257	AAYRARUZYQAKCN-NSHDSACASA-N	322.365	1.126	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc2c3c(cccc13)CC2	763440753	KRNHLAXQEBLHSZ-UHFFFAOYSA-N	311.341	1.434	50	20	DDGD	
Cc1ccc(C=NNC(=O)Cn2nnc(-c3ccccc3)n2)cn1	764887746	SKXISZDPKROZJT-UHFFFAOYSA-N	321.344	1.194	50	20	DDGD	
C[C@@H](NNC(=O)c1cc(Br)n(C)n1)C(F)(F)F	862321884	CEFKFARWFUSQJQ-SCSAIBSYSA-N	315.093	1.368	50	20	DDGD	
COCCOCC(=O)NNC(=O)CCc1ccc(Cl)cc1	869912334	IZKJWNCTPUCBEQ-UHFFFAOYSA-N	314.769	1.083	50	20	DDGD	
CN1CCC(=NNC(=O)CC23CC4CC(CC(C4)C2)C3)C1=O	761749655	RKPFDAYXIALPLM-UHFFFAOYSA-N	303.406	1.927	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNC(=O)CCc2ccccc2)n1	865085843	MBXZPZYIRGCXNJ-CYBMUJFWSA-N	314.389	1.608	50	20	DDGD	
Cc1cc(N(C)C)cc(C)c1NC(=O)NNC(=O)c1cn[nH]c1	860812540	BIKKOXYJVQLDRX-UHFFFAOYSA-N	316.365	1.559	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2[C@H](C)O[C@H](C)[C@@H]2C)c1	860682821	FBMDNYJTBYAMKE-MIJXAVMKSA-N	306.362	1.976	50	20	DDGD	
COCc1ccc(C=NNC(=O)c2ccc3c(c2)OCO3)o1	764653529	GMJANZHJQCSVHV-UHFFFAOYSA-N	302.286	1.919	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)C(=O)Nc1cc(F)cc(F)c1	764067950	DZVUUZMXZKXOMU-UHFFFAOYSA-N	311.288	1.241	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNc2nnc(C)c(O)n2)cc1	768928401	NYSCVAYCSAAXPV-UHFFFAOYSA-N	317.349	1.315	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CN(C)C2CCC2)cc1F	863924648	HNNBYNDZDKVTAK-UHFFFAOYSA-N	309.341	1.540	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@H](C)C(C)C	767343819	APSIYKRCCLXLSH-CYBMUJFWSA-N	320.389	1.520	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NNC(=O)NCCCOC	767319778	DROOLGJEFCVLKG-CHWSQXEVSA-N	315.414	1.339	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)C(=O)Nc1cccnc1	1117422989	MYWACWOQTHJPAS-UHFFFAOYSA-N	312.333	1.221	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)N[C@@H]2CC23CCC3)cc1	876426738	KSPJCJVGHTYWML-CYBMUJFWSA-N	319.361	1.347	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1CCCN(c2ccccc2)C1	875298206	UVYUXXJKCBFYMI-LBPRGKRZSA-N	306.366	1.568	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cnn(C)c1-c1ccccc1	775473991	FSQBXXFFTFCYDE-UHFFFAOYSA-N	323.356	1.500	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](c1ccccc1)C(C)C	772162571	UVUVHFRJWDXTDK-WFASDCNBSA-N	320.389	1.915	50	20	DDGD	
Cc1cnccc1C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	770209479	ORGCBWFYXNYSMG-UHFFFAOYSA-N	321.340	1.855	50	20	DDGD	
COc1ccnc(NNC(=O)CCc2cccc3c2OCO3)n1	771156036	CVTJMMHTMDMFQE-UHFFFAOYSA-N	316.317	1.290	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ccn(C(F)F)n2)n1	776229365	BWMGTMBXHCYNJL-UHFFFAOYSA-N	302.672	1.787	50	20	DDGD	
CCCC[C@@H](CCC)CNC(=O)NNC(=O)C1CCNCC1	1117965030	IMPWPGYZSZOLLO-CYBMUJFWSA-N	312.458	1.923	50	20	DDGD	
O=C(CCCn1ccccc1=O)NNc1cc(Cl)ccn1	778451609	NHQYMJHHUKCGGD-UHFFFAOYSA-N	306.753	1.820	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNc1ncncc1Cl	879662015	ODYYIQNZTBPYAN-RDDDGLTNSA-N	306.757	1.662	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)c1ccnc(O)c1	771535514	RUVKJAYTYILEHI-UHFFFAOYSA-N	309.123	1.702	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ncccn2)cc1Cl	773720866	IPIVZMZCMBQENJ-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
Cc1cc(Cl)cc(C)c1S(=O)(=O)N1CC[C@@H](B(O)O)C1	887330958	DHNDDONTSGFPGZ-SNVBAGLBSA-N	317.603	1.194	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc(F)c(Cl)c1	883066137	LVEGDJLBTWYVQS-UHFFFAOYSA-N	300.717	1.667	50	20	DDGD	
CNCCOc1cccc(C(=O)NNc2nc(C)cc(C)n2)c1	884042543	BITLYXFYPROVMH-UHFFFAOYSA-N	315.377	1.449	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1sccc1C1CC1	772049935	WPJHDOYBICNKII-MRVPVSSYSA-N	310.375	1.728	50	20	DDGD	
O=C(Cc1ccnc(O)c1Br)NNc1cccnn1	772543980	JXEHIJSBCCJEDS-UHFFFAOYSA-N	324.138	1.026	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(CN2CC=C(C#N)CC2)cc1	779587193	IVPWMDLYOOXISK-UHFFFAOYSA-N	305.403	1.593	50	20	DDGD	
CC(C)CCn1cc(C(=O)NNc2ncncc2Cl)nn1	781832809	BRSFWLYRCKIGAH-UHFFFAOYSA-N	309.761	1.525	50	20	DDGD	
COc1cccc(C[C@@H](O)C(=O)NNc2ccnc(F)c2)c1	785422474	SCQFLOWMPRCRGQ-CYBMUJFWSA-N	305.309	1.276	50	20	DDGD	
COC(=O)CCc1csc(NC(=O)NNC(=O)C(C)C)n1	782587817	MJJIEOBWJXJASL-UHFFFAOYSA-N	314.367	1.057	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)CCC(C)(C)O)c1	786637619	PYOBIEKREQUDJA-UHFFFAOYSA-N	308.378	1.381	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cc2nn[nH]c2cc1F	782077480	QRMVNOVKUUBIEP-UHFFFAOYSA-N	307.676	1.297	50	20	DDGD	
O=C(NCCC1CCC(F)(F)CC1)c1ccc(B(O)O)cc1	890055193	VOTBJMLLRYHLLH-UHFFFAOYSA-N	311.137	1.312	50	20	DDGD	
CC(C)(C(=O)NNc1cccc(C#N)c1)S(=O)(=O)C1CC1	786427389	QMPWWLKMEABRNK-UHFFFAOYSA-N	307.375	1.357	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)c2ccc3ccccc3n2)cn1	788267938	PYHSAOVONGUXLT-UHFFFAOYSA-N	321.340	1.746	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)Cc1ccncc1)c1cccnc1	797910370	MLLIIJHUVSNLFI-INIZCTEOSA-N	312.373	1.606	50	20	DDGD	
COc1ccccc1CC(=O)NN=C(C)C(C)(C)n1cncn1	794493968	FVSZMGBDMFXDCJ-UHFFFAOYSA-N	315.377	1.757	50	20	DDGD	
C=C(CBr)CN1CCCC[C@@H](S(C)(=O)=O)C1	791539951	JDMKXTMOMMRYHM-LLVKDONJSA-N	310.257	1.837	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(C#N)cc2)cc1C#N	799413066	LBCNXWOJBYNWSD-UHFFFAOYSA-N	304.309	1.813	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H](NC1CCOCC1)C(C)C	792515427	VAVGDTPFNJRRFR-AWEZNQCLSA-N	306.410	1.626	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NNc1cncc(Br)c1	1137936839	YHTUQPHLMYYYMS-DTWKUNHWSA-N	314.139	1.096	50	20	DDGD	
Cc1nc2cc(C(=O)NNc3ncnc4[nH]cnc34)ccc2o1	792644420	YCWJMLJLRBVZPR-UHFFFAOYSA-N	309.289	1.559	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)Cn1cnc([N+](=O)[O-])n1	794954163	MODSKHUUFRYGSU-UHFFFAOYSA-N	318.337	1.761	50	20	DDGD	
O=C(Cc1ncccc1F)NNC(=O)c1cccc([N+](=O)[O-])c1	792006397	SNJQSZGEGSHEBZ-UHFFFAOYSA-N	318.264	1.133	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NN=Cc2c(C)cnn2C)c1	794868899	QIERIGFTTJGYNA-UHFFFAOYSA-N	300.362	1.874	50	20	DDGD	
CSc1c(F)cccc1C(=O)NNC(=O)Cc1ccncc1	797910230	GUWAAAHMKOSTTG-UHFFFAOYSA-N	319.361	1.946	50	20	DDGD	
COc1cc(F)cc(F)c1S(=O)(=O)NNC(=O)CC(C)C	1318705984	PAUMHJZBMLZMKB-UHFFFAOYSA-N	322.333	1.329	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H](C)OC[C@H]2CCCO2)cc1	1318035402	WUKXWJCEBZGBBM-BXUZGUMPSA-N	322.361	1.040	50	20	DDGD	
COC(=O)C(C)(C)CNC(=O)NNc1ccc(C(C)(C)C)nn1	1319574266	VBSPALWTXZJBIQ-UHFFFAOYSA-N	323.397	1.599	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(C(C)(C)C)nn1)c1ncnn1C	1324469032	ZKQDLWWKTHAGTB-VIFPVBQESA-N	318.385	1.290	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc3ncccc3c2)nn1	1324344122	UILOHIDZOXCVQS-UHFFFAOYSA-N	322.328	1.415	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccoc1)c1ccccc1Cl	1323533359	OAMDRIIMHDNNMR-UHFFFAOYSA-N	300.723	1.556	50	20	DDGD	
CCOc1cccc(C=NNC(=O)C(=O)OC)c1OC(F)F	1323496428	NXPBJHIQHGLLNE-UHFFFAOYSA-N	316.260	1.310	50	20	DDGD	
Cn1ncc(C(=O)NNc2nncc(N)c2Cl)c1C1CC1	1324048040	GHWHQSXLKTXVBD-UHFFFAOYSA-N	307.745	1.080	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCC(C)(C)C1CCCC1	1328134748	MAGWOWDBJLBZSE-AAEUAGOBSA-N	311.426	1.958	50	20	DDGD	
C[C@@H]1CN(c2nnnn2C[C@]2(C)C[C@H]2Br)C[C@@H]1C	1334617952	UMVGTNFWPXKGGX-KLBPJQLPSA-N	314.231	1.939	50	20	DDGD	
CC(C)CN1CCC[C@H]1C(=O)NNC(=O)c1cccc(F)n1	1337349544	LYOHYFZURRHCHY-LBPRGKRZSA-N	308.357	1.102	50	20	DDGD	
COc1ccc(NNC(=O)c2c[nH]c(Br)c2)nc1	1338547424	KWMMAVSMVMNHND-UHFFFAOYSA-N	311.139	1.938	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1c[nH]c(C(F)(F)F)c1	1336069036	VZVGVLGJFDPBPV-UHFFFAOYSA-N	323.296	1.147	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42	1339599243	IRKJXZUASVGNPA-DMCWRTHBSA-N	305.447	1.284	50	20	DDGD	
Cc1ccc(C(=O)NNC(=S)NC[C@@H]2CCCCO2)cc1O	1262167181	CWEYXELXLABGLO-LBPRGKRZSA-N	323.418	1.379	50	20	DDGD	
C[C@@]1(CNC(=O)[C@H](N)Cc2ccccc2)C[C@@H]1Br	1331344445	MNQGUDNQDCGNKW-DYEKYZERSA-N	311.223	1.846	50	20	DDGD	
C#CCCCCCC(=O)NNC(=O)c1n[nH]c2c1CCCC2	1342028935	KMJXZPVQUNFOMH-UHFFFAOYSA-N	302.378	1.633	50	20	DDGD	
CC(C)(C(=O)O)n1ccc(NC(=O)NNc2ncccc2F)n1	1602843689	PUWPCBWPBOMIJK-UHFFFAOYSA-N	322.300	1.386	50	20	DDGD	
O=C(O)CCc1cccc(NC(=O)NNC(=O)CC2CC2)c1	1608739861	DEZDBGGTWARUMG-UHFFFAOYSA-N	305.334	1.657	50	20	DDGD	
O=C(O)c1ccnc(C(=O)NNc2cc(F)c(F)cc2F)c1	1608951781	MUECTIPWWXEPNT-UHFFFAOYSA-N	311.219	1.954	50	20	DDGD	
CCC(=O)N1CC[C@@H](NC(=O)NNc2cccc(C(=O)O)c2)C1	1604860551	TXKGWNOXZVQXNN-GFCCVEGCSA-N	320.349	1.022	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)Nc2ccccc2C(=O)O)cc1	1601107793	LADIDXPTXNHMOA-UHFFFAOYSA-N	324.296	1.338	50	20	DDGD	
Cn1c(C=NNC(=O)Cc2c[nH]c3ccccc23)ccc1C(=O)O	1608087738	SWRSNROAGOTIAR-UHFFFAOYSA-N	324.340	1.897	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@H]2CCc3ncncc3C2)c1	1602448638	VHGNUFJLPIUAEA-JTQLQIEISA-N	312.329	1.423	50	20	DDGD	
CC(C)c1occc1C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1603423826	OOTIMICOHAQWQZ-UHFFFAOYSA-N	313.321	1.735	50	20	DDGD	
O=C(NNC(=O)[C@@H](C(=O)O)C1CCCC1)c1ccccc1O	1605814500	DBNXLLPIEQQVSG-LBPRGKRZSA-N	306.318	1.044	50	20	DDGD	
O=C(CCc1ccco1)NN[C@H](Cc1ccc(F)cc1)C(=O)O	1601293176	WCBLFIKHCKEYSD-CQSZACIVSA-N	320.320	1.668	50	20	DDGD	
C[C@@H](NNC(=O)c1ccsc1-c1nn[nH]n1)C(F)(F)F	1603671529	FGGBFSVPQRSCLZ-SCSAIBSYSA-N	306.273	1.113	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1cc(C(=O)O)cs1	1601370055	OCOCUYKXKABSLV-UHFFFAOYSA-N	320.330	1.237	50	20	DDGD	
CC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)OC	1802389230	KFGRMNVKMAZFNI-IEECTRCBSA-N	316.829	1.677	50	20	DDGD	
Cn1ccc(N2CC[C@H](NC(=O)C3CCC(Cl)CC3)C2)n1	1548648593	BZAJCNLXMZWGDA-BPCQOVAHSA-N	310.829	1.913	50	20	DDGD	
C[C@@H]1COCCC1=NNC(=O)[C@@H]1CCCO[C@@H]1c1nccn1C	1549309895	KPFKXDCOQQFGRR-BZPMIXESSA-N	320.393	1.416	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@H]1C=NNC(=O)c1ncccn1	1552453398	LMQJQVOICIBYNT-RYUDHWBXSA-N	314.349	1.094	50	20	DDGD	
Nc1ccnc(CNC(=O)NNc2c(F)cc(F)cc2F)c1	1580461258	KJZVVYXPSGQOIT-UHFFFAOYSA-N	311.267	1.907	50	20	DDGD	
CC#CCCCC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1588743464	FJKIQEWPXCUPBV-UHFFFAOYSA-N	317.353	1.615	50	20	DDGD	
CC[C@H]1C[C@@H](CC(=O)NNc2ncccc2C(=O)O)CCO1	1589620225	VNLHJERWGNGLKA-QWRGUYRKSA-N	307.350	1.818	50	20	DDGD	
CC[C@H](O)C(=O)N1CC2(CCCN2C(=O)C(C)(C)CCl)C1	1841225137	SNPUHWVBNUTQCK-NSHDSACASA-N	316.829	1.226	50	20	DDGD	
Cc1ncc(C(=O)N2CCCC23CN(C(=O)[C@@H](F)Cl)C3)[nH]1	1841714509	SAYNBMXRTYQPAC-SNVBAGLBSA-N	314.748	1.070	50	20	DDGD	
O=C(C(Cl)Cl)N1CC2(CCCN2C(=O)c2ccon2)C1	1842540594	KSKPHDGDVPMDPK-UHFFFAOYSA-N	318.160	1.295	50	20	DDGD	
COc1cccnc1CC(=O)NNc1cccc(C(=O)O)c1	1599719809	NYCNZKCGTUXDTQ-UHFFFAOYSA-N	301.302	1.474	50	20	DDGD	
Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNc1ccc(F)cc1	1591784589	USVVNGFRJSISMU-UHFFFAOYSA-N	301.285	1.399	50	20	DDGD	
CCc1c(C(=O)NNc2ccc(C(=O)O)c(F)c2)cnn1C	1597410572	ADOBRYQQLPSBKI-UHFFFAOYSA-N	306.297	1.577	50	20	DDGD	
Cc1cc(N2C[C@H]3[C@H](Br)[C@H]3C2)c(-c2nn[nH]n2)cn1	1592013806	ZVAMZJOBJGYONJ-JZYVYDRUSA-N	321.182	1.400	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H](C(=O)O)C2CC2)ccc1C	1593882762	WJIWEPWPCWTRLP-LBPRGKRZSA-N	306.318	1.336	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C23CC(C(=O)O)(C2)C3)cc1F	1598983957	CAXQPBDZBOCHIX-UHFFFAOYSA-N	322.292	1.310	50	20	DDGD	
O=C(NCC1CCCC1)NNc1cccc(-c2nn[nH]n2)c1	1593034343	OWXLODSMFNUPBV-UHFFFAOYSA-N	301.354	1.683	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1cnc2ccc(C(=O)O)cn12	1776115916	MTWQCSOQLXBWAM-WDZFZDKYSA-N	315.285	1.129	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)O)CCC1=NNC(=O)c1cn2c(n1)CCCC2	1776105533	OSCIOOSFUKNZBZ-GHMZBOCLSA-N	318.377	1.826	50	20	DDGD	
C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2	1783920506	DUZBFSQAOUVSNJ-CYBMUJFWSA-N	321.204	1.196	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)cc1F	13294882	CRSVWENEFRWUPP-UHFFFAOYSA-N	316.336	1.811	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C/c1ccccc1OCC(=O)O	13279033	WUFZLSCPRZGKTF-NTUHNPAUSA-N	302.330	1.829	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CCCCO1	161281040	CYIHYFXVXPVQAK-GXFFZTMASA-N	310.325	1.310	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1C=CCCC1	158405279	RYISGUAFDINFIA-NSHDSACASA-N	304.306	1.648	50	20	DDGD	
COc1ccccc1CC(=O)NNc1ncccc1[N+](=O)[O-]	153405306	UXXSNJAFBIHVPE-UHFFFAOYSA-N	302.290	1.684	50	20	DDGD	
COc1ccccc1NC(=O)C(=O)NNc1ccccc1F	155560222	UIQWYAKAHPINSC-UHFFFAOYSA-N	303.293	1.916	50	20	DDGD	
CC(C)CNC(=O)CNS(=O)(=O)c1ccc(CCl)cc1	312422479	YVHUHAMBNCPOFZ-UHFFFAOYSA-N	318.826	1.476	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)N(C)NC(=O)OCc1ccccc1	862287665	RSVAQLJRMGNJJT-LLVKDONJSA-N	308.334	1.485	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)CC2CCCC2)cc1	58168434	RCCGDBVPEJUBNY-UHFFFAOYSA-N	305.378	1.835	50	20	DDGD	
CCCCC1CCC(C(=O)NNC(=O)C(=O)NC2CC2)CC1	9889216	VVCRLNQSCXYZQQ-UHFFFAOYSA-N	309.410	1.409	50	20	DDGD	
Cc1ccc(CCCCC(=O)NNC(=O)c2cnn(C)c2)cc1	117682423	YFFGFMBMMMSYFH-UHFFFAOYSA-N	314.389	1.903	50	20	DDGD	
Cn1nnc2cc(C(=O)NNc3ccc(Cl)nn3)ccc21	118502084	YXPBSQKDLMSGKJ-UHFFFAOYSA-N	303.713	1.169	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@H](O)c1ccccc1Cl	179264847	RICXZEBVQMKMKP-CQSZACIVSA-N	319.748	1.159	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1ccc(-n2cnnc2)cc1	114897871	FOOXYFNMSLMDGI-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H](C)Oc1ccc(CCC(C)=O)cc1	68785148	XHONKHLMAPVCQQ-LBPRGKRZSA-N	322.361	1.753	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1C	117546394	HLNLKYFQHAGVKB-MRVPVSSYSA-N	323.378	1.113	50	20	DDGD	
Cc1nc(C(=O)NNc2nc3ccccc3c(=O)[nH]2)ccc1C#N	176778773	PSDLSECTTHDYGE-UHFFFAOYSA-N	320.312	1.255	50	20	DDGD	
COc1cc(/C=C/C(=O)NNC(=O)NC(C)C)cc(OC)c1	63269951	MHTFWPCFPSTTAI-AATRIKPKSA-N	307.350	1.456	50	20	DDGD	
Cc1nn(C(F)F)c(C)c1CC(=O)NNC(=O)OC(C)(C)C	65578899	FCIFKSQUGVNOQI-UHFFFAOYSA-N	318.324	1.993	50	20	DDGD	
CCC1(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)CCC1	175855185	UKIZLXSDMCRIJO-BETUJISGSA-N	311.426	1.213	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccn(C)c(=O)c1)c1ccccc1	110344176	OHHVBLKSPAZQRA-AWEZNQCLSA-N	313.357	1.340	50	20	DDGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCC(N)=O)c1C	66317692	NMFZQCHZNKRDCP-MQOXYSQQSA-N	319.361	1.248	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1cc(C2CC2)on1	170999227	IZUXYBHSMOBRHX-UHFFFAOYSA-N	303.293	1.695	50	20	DDGD	
CCCN1CCC[C@H]1C(=O)NNC(=O)c1ccc(C#N)cc1	126149662	RNPCCRCUYSMXGN-AWEZNQCLSA-N	300.362	1.194	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(C)n(-c2nccs2)c1C	122904569	QNOPAEFJXLHKAK-UHFFFAOYSA-N	307.379	1.515	50	20	DDGD	
COCCCNC(=O)NNC(=S)Nc1ccc(C)c(F)c1	64937307	QYIBYJAJYHGGEK-UHFFFAOYSA-N	314.386	1.671	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)C2(O)CCCC2)c1C	123613866	IGRPNXWPKAJVDN-CYBMUJFWSA-N	320.389	1.523	50	20	DDGD	
CCCn1nc(C)c(C(=O)NNC(=O)NCc2ccco2)c1C	120719685	GFBBCMSUKFELJP-UHFFFAOYSA-N	319.365	1.647	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1ccc(F)c(C#N)c1	184877335	ROECUYWBFPJVML-UHFFFAOYSA-N	301.281	1.502	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@H]1C[C@@]1(C)C(C)C	186461122	GGXMTFTWQNYTNI-PXAZEXFGSA-N	320.389	1.904	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ccc(C(F)(F)F)nn1)N(C)C	123759608	KIJMHGUMVTZFHC-SNVBAGLBSA-N	305.304	1.525	50	20	DDGD	
CCc1noc2ncc(C(=O)NNc3ncc(F)cn3)cc12	123249327	ARHKAQATKYLXMC-UHFFFAOYSA-N	302.269	1.471	50	20	DDGD	
CCN(CC(=O)NNC(=O)[C@H](C)Oc1ccccc1F)C1CC1	126066828	JAUVAFLOHFCJJF-NSHDSACASA-N	323.368	1.225	50	20	DDGD	
CCc1nc(CCNC(=O)NNc2cccc(OC)n2)cs1	181166539	UQGUAZOFMFMNNF-UHFFFAOYSA-N	321.406	1.978	50	20	DDGD	
Cc1ccccc1-n1nccc1NC(=O)NNC(=O)c1ccc[nH]1	183773281	KZSFDEYVGLFEFZ-UHFFFAOYSA-N	324.344	1.975	50	20	DDGD	
CC(C)(C)S(=O)(=O)CC(=O)NNc1ccc2ccccc2n1	181088833	VOMQTEJDSPQRRU-UHFFFAOYSA-N	321.402	1.891	50	20	DDGD	
CS[C@@H](CO)[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(F)cc1	183614453	FSHPXXLHXMSTLJ-HAEZDXRRSA-N	308.378	1.961	50	20	DDGD	
CC(C)(C)n1cc(NC(=O)NNC(=O)Cc2ccncc2)cn1	186244536	UCSJKPRHQCCSBD-UHFFFAOYSA-N	316.365	1.429	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cccc(Br)c1F	192923486	XNAHGICIHYUDNK-UHFFFAOYSA-N	319.130	1.120	50	20	DDGD	
O=C(NNC(=O)N1CC[C@@H]2OCCC[C@H]2C1)c1ccccc1	132931165	APKPJCHPVSPZGB-KBPBESRZSA-N	303.362	1.542	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2ncc(C)s2)cc1	194753176	HILGWYDSAYHNOO-UHFFFAOYSA-N	320.374	1.992	50	20	DDGD	
CCCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1ccc(C)o1	84380113	HVXRRSNEMHHIBG-GFCCVEGCSA-N	321.377	1.530	50	20	DDGD	
COc1cccc(C(=O)NNc2nc3ccccc3c(=O)[nH]2)c1	137192115	XXXHJJDANADHCH-UHFFFAOYSA-N	310.313	1.689	50	20	DDGD	
CC[C@@H](C)CC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O	191963508	PPNUCWFYFQCJBN-LLVKDONJSA-N	316.361	1.775	50	20	DDGD	
C=CCOc1ccc(C(=O)NNC(=O)Cc2ccncc2)cc1	81017035	PPBHDAFARKMAQF-UHFFFAOYSA-N	311.341	1.650	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1ccc(F)cc1Cl	48430027	VBOMTEUKSWVOJC-UHFFFAOYSA-N	308.762	1.835	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2c(C)noc2C2CC2)n1	130894905	VMOARVRJDSGLRO-UHFFFAOYSA-N	317.349	1.135	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C(=O)c2ccccc2)cc1	194017469	GKTAKTKYMBIGQX-UHFFFAOYSA-N	312.325	1.404	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)c1cccn1C)c1ccccc1F	192093679	PWQKCOGGDYCRNO-MRXNPFEDSA-N	319.336	1.487	50	20	DDGD	
Cn1c(NNC(=O)C2(O)CCCCC2)nc2ccccc2c1=O	86586859	FCWHYRYWQPHGCA-UHFFFAOYSA-N	316.361	1.072	50	20	DDGD	
O=C(CCC(=O)c1cccs1)NNc1nc2ccccn2n1	191912881	KIHUFDIMDSQZRP-UHFFFAOYSA-N	315.358	1.897	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(C)c(F)cc1F	94120519	RYPPWEFMHBYTJI-UHFFFAOYSA-N	319.402	1.745	50	20	DDGD	
CCN(CC)c1ccc(C=NNC(=O)c2cnccn2)c(O)c1	254833461	QWJBFGPPKJGMIU-UHFFFAOYSA-N	313.361	1.792	50	20	DDGD	
CCc1nn(C)c(CC)c1CNC(=O)NNC(=O)CC(C)C	269959587	SVOPBIOMHZOCKX-UHFFFAOYSA-N	309.414	1.421	50	20	DDGD	
COCc1cc(CNC(=O)NNC(=O)CC(C)C)ccc1F	264464719	JUDWCRIQXRZAPD-UHFFFAOYSA-N	311.357	1.849	50	20	DDGD	
COC(=O)N[C@@H](CC(C)C)C(=O)NNc1cc(C)nc(C)n1	265541071	NIHVZLLMGOKBBS-NSHDSACASA-N	309.370	1.307	50	20	DDGD	
C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NNC(=O)NC1CCCC1	267030544	RQWDRUIWNXCTCZ-SJKOYZFVSA-N	319.405	1.814	50	20	DDGD	
COCCOc1ccc(CNC(=O)NNc2cccnn2)cc1	265481227	QJPGGECFBAYZGT-UHFFFAOYSA-N	317.349	1.328	50	20	DDGD	
COCCCOc1cccc(C(=O)NNC(=O)CC(C)C)c1	266068849	LJSXFWICHHMUDH-UHFFFAOYSA-N	308.378	1.909	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@H](C)[C@H]1CCOC1	266639369	XTCBZPLAFLJKKX-NEPJUHHUSA-N	306.366	1.756	50	20	DDGD	
CCn1c(NNC(=O)CC(C)(C)C#N)nc2ccccc2c1=O	279132517	BZRMBSZWPCJFPU-UHFFFAOYSA-N	313.361	1.799	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)c1	362822261	JHRFZJOFENWCDT-UONOGXRCSA-N	304.325	1.815	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(F)c(OC)cc1F	274453215	VECMIHMSMZWGMA-UHFFFAOYSA-N	302.281	1.671	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1cccc(C)c1C	272337555	LUMOIKHFDKFZJB-LBPRGKRZSA-N	309.366	1.508	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H]1CCCO[C@@H]1c1cnn(C)c1	275501630	WAUJCPZDHYYYST-NXFSIWHZSA-N	304.350	1.200	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCCN(C(C)=O)C2)c1	272532089	BLEBZMRDVYHLNQ-ZDUSSCGKSA-N	319.361	1.175	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(Br)cn1	272660923	HNOJGOBRUIYHBA-UHFFFAOYSA-N	301.144	1.150	50	20	DDGD	
CNc1nnc(CC(=O)NNc2cccc([N+](=O)[O-])c2C)s1	273683402	KPHYCMXWRUHGLR-UHFFFAOYSA-N	322.350	1.482	50	20	DDGD	
CS[C@H](C)CC(=O)NNC(=O)Cn1cnc2ccccc21	270156509	XCZKEQUOPNXXSU-SNVBAGLBSA-N	306.391	1.325	50	20	DDGD	
O=C(NC[C@H]1COC2(CCCCC2)O1)NNc1cccnn1	271814823	JQDHEHXPDGXWDI-NSHDSACASA-N	307.354	1.179	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)[C@@H]1CC12CCOCC2	365850867	YZBDBWMEWMTQTL-ZDUSSCGKSA-N	303.362	1.063	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2	272516923	YXUHMDBATMFNLI-UHFFFAOYSA-N	323.305	1.521	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)NCCC=C(C)C)cc1	276808487	LFLGCKPYAJCGGM-UHFFFAOYSA-N	321.377	1.761	50	20	DDGD	
COC(=O)COc1ccc(NC(=O)NNC(=O)C(C)(C)C)cc1	271224713	DRHGRGMIQOXNRM-UHFFFAOYSA-N	323.349	1.437	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl	271462597	XMGZIGWIZYSERC-UHFFFAOYSA-N	300.702	1.554	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NC[C@@H](O)C1CCOCC1	273115935	DCURAZJGWIRSHA-IHWMJMDHSA-N	318.348	1.636	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2ncnc3ccsc23)CCO1	271247782	ISJSOZMUAYECID-DTWKUNHWSA-N	307.379	1.885	50	20	DDGD	
COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NNC(=O)N(C)C)c1	276277015	OMVRIZKMLKRPGK-PWSUYJOCSA-N	307.350	1.110	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CC[C@](O)(c2ccc(F)cc2)C1	371560068	LYBBBLFMHRCTEY-YBHKSSGVSA-N	304.321	1.690	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)C(C)(C)C)cc1	283029011	ZKCBMLGGLLJMAL-LLVKDONJSA-N	305.378	1.763	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Nc1ccc(C)nc1C	285901854	SVMZEGPHFXKULT-UHFFFAOYSA-N	324.381	1.640	50	20	DDGD	
C=C(CBr)CN1CCC(N2CCCNC2=O)CC1	375595910	IPZMQUQRESLSIG-UHFFFAOYSA-N	316.243	1.817	50	20	DDGD	
COc1cccc([C@H](C)CCCC(=O)NNC(=O)CN(C)C)c1	280360494	BRXZEGYIAXGHMU-CYBMUJFWSA-N	321.421	1.678	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)O1	282868866	RJLQHBICIQPXCI-CHWSQXEVSA-N	319.361	1.039	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)n1	282117397	GDCRWMLLSXTFKB-GMXVVIOVSA-N	307.398	1.579	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C[C@H](C)CC(=O)OC)c1ccccc1	289518266	AZSBLAJUHMIBDE-JSGCOSHPSA-N	320.389	1.917	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H]2CCCCO2)c(OC)c1	297467611	NNDKILQPHFGXMK-GFCCVEGCSA-N	323.349	1.426	50	20	DDGD	
CN(C)CCn1nccc1NC(=O)NNc1ccc(F)cc1	297480613	SCFBYBUMRFDTTP-UHFFFAOYSA-N	306.345	1.732	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)c2cncs2)nc2ccccc21	807313653	MCOFCZQPBIMAIX-UHFFFAOYSA-N	315.358	1.034	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC2CCN(CC)CC2)cc1	298670911	VSCIXXZCQUYWJX-UHFFFAOYSA-N	318.421	1.677	50	20	DDGD	
CC(C)[C@H]1NCC[C@H]1C(=O)NNc1nc(-c2ccncc2)no1	290101202	IAHWZJYMPKQQEW-VXGBXAGGSA-N	316.365	1.209	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@H]2CCC=CO2)cc1	802118914	PWZXITKHTXDAEK-CYBMUJFWSA-N	304.350	1.598	50	20	DDGD	
CCC(CC)n1nc(C)cc1C(=O)NNC(=O)[C@H]1CCCCO1	295675818	XMSSWHWEOBOPOX-CQSZACIVSA-N	322.409	1.883	50	20	DDGD	
COC[C@@]1(C)CCN(C(=O)NNC(=O)c2ccccc2C)C1	296106331	GKXDGFWSZPGRIK-INIZCTEOSA-N	305.378	1.708	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)NC[C@@H](C)c2ccccc2)O1	297866519	QFQPCZHPNPNBCG-DYEKYZERSA-N	305.378	1.688	50	20	DDGD	
COc1ccc(-c2ocnc2C(=O)NNC(=O)NC(C)C)cc1	291582806	UZORBJKBLGNTSI-UHFFFAOYSA-N	318.333	1.703	50	20	DDGD	
CO[C@](C)(CNC(=O)NNc1nc2ccccn2n1)C1CC1	292458118	WNQRXDTUNYPYPY-CQSZACIVSA-N	304.354	1.171	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCC1(c2ccccn2)CCC1	805096582	VJQSQEIFGRBXLI-UHFFFAOYSA-N	304.394	1.880	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1cc2ccccc2[nH]1	804951555	CSMUBMZPXHZKKE-UHFFFAOYSA-N	319.328	1.901	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C(=O)N1CCC(C)CC1	805379691	MFXNRZVOCLLARW-UHFFFAOYSA-N	320.349	1.605	50	20	DDGD	
CCS(=O)(=O)C[C@@H](C)NC(=O)NNc1cccc(Cl)n1	293112926	UHUCHYKQKUGYPT-MRVPVSSYSA-N	320.802	1.184	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1C	805380390	OHNYCBCLIJUPQW-AWEZNQCLSA-N	302.334	1.444	50	20	DDGD	
C=CCNC(=S)NNC(=O)C1(c2ccc(N(C)C)cc2)CC1	292616510	HLHLVQBELJBNRE-UHFFFAOYSA-N	318.446	1.466	50	20	DDGD	
O=C(NCc1noc2c1CCCC2)NNc1ncncc1Cl	808338855	XFGAQJWQQUICBL-UHFFFAOYSA-N	322.756	1.823	50	20	DDGD	
CC[C@@H](C)n1ncc2c(C(=O)NNc3nc[nH]n3)cc(C)nc21	816634243	BUXFALPDASNYNF-SECBINFHSA-N	314.353	1.586	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1COc2cc(F)cc(F)c21	814864705	HTQVDKPEIHMFRV-QMMMGPOBSA-N	314.288	1.229	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc(CCN(C)C)cc2)n1	816860501	NLZKQGBMKALZJV-UHFFFAOYSA-N	315.377	1.346	50	20	DDGD	
CC(=NNC(=O)N=c1cc[nH]cc1)c1cccc(N2CCC2=O)c1	815000393	KMPRFRZKHKDCSY-UHFFFAOYSA-N	323.356	1.786	50	20	DDGD	
CC(C)(O)CN1CCC(=NNC(=O)CNc2ccccc2)CC1	814213837	JQZILRUFFXKZDU-UHFFFAOYSA-N	318.421	1.437	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCC(C)CC1)c1csc(N)n1	812441154	OPHUSNVVOKRTDS-LLVKDONJSA-N	323.466	1.934	50	20	DDGD	
C[C@]1(C(=O)NNc2ccccc2S(C)(=O)=O)CC1(F)F	817549298	JCBAXLKZEHWBTH-LLVKDONJSA-N	304.318	1.579	50	20	DDGD	
COc1ccc(OCC(=O)NN=C2CCC(C(=O)O)CC2)cc1	814720424	PLTSKGVIUPGDRP-UHFFFAOYSA-N	320.345	1.821	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C1CC[C@@H]1C1CCC1	814873769	PMUFWGXWIHEBBJ-CYBMUJFWSA-N	300.362	1.494	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)COc1ccc(C#N)cc1	811630244	DURXRIGGWQPYQO-ZDUSSCGKSA-N	314.345	1.098	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cccc(Nc2ncccn2)c1	819117853	GDMQJRMHRRQAGT-UHFFFAOYSA-N	311.345	1.781	50	20	DDGD	
CN(NC(=O)c1cc(N2CCNC2=O)ccc1Cl)C1CC1	819648761	RESUBVZXSCQIFT-UHFFFAOYSA-N	308.769	1.609	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=C1CCN(CC(F)(F)F)CC1	814957786	PQJBBWPFLVBMLE-UHFFFAOYSA-N	303.288	1.083	50	20	DDGD	
O=C(NNC(=O)N1CCO[C@@H]2C[C@H]21)c1cccc2cccnc12	814291241	FSSLOVGAWGHTFP-CHWSQXEVSA-N	312.329	1.062	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)Cc2cc[nH]n2)c(OC)c1	814957787	PRYRDUOKOAJGSY-UHFFFAOYSA-N	302.334	1.510	50	20	DDGD	
CCCN(CC(=O)NNC(=O)c1cccc(Cl)c1)C1CC1	728931568	VXCDSZLWLGPRBI-UHFFFAOYSA-N	309.797	1.975	50	20	DDGD	
COc1ccnc(NNC(=O)Cc2cn3cccc(C)c3n2)n1	725883899	RIHARWDHJLEGTR-UHFFFAOYSA-N	312.333	1.127	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NN=Cc1ccccc1-c1nn[nH]n1	826423071	XNFJDVYLUQZQDT-UHFFFAOYSA-N	324.319	1.699	50	20	DDGD	
O=C(CCc1nccs1)NNc1cccc(-c2nn[nH]n2)c1	826408975	CQVZLTUXADDQLB-UHFFFAOYSA-N	315.362	1.399	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCO[C@](C)(c2ccccc2)C1	828046915	DBCKKSCHKGDLTG-KRWDZBQOSA-N	319.405	1.037	50	20	DDGD	
CCN(CCO)NC(=O)/C(=C/c1ccccc1)C(F)(F)F	823889003	FAZMVHCZDGZTFP-BENRWUELSA-N	302.296	1.978	50	20	DDGD	
CC/C(C)=C\C(=O)NNC(=O)c1cc(Br)c[nH]1	822234243	JYJKLVASMVLZGK-DAXSKMNVSA-N	300.156	1.895	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)NCC2CCC2)ccc1[N+](=O)[O-]	727866650	STCSCPNHYULSAX-UHFFFAOYSA-N	322.390	1.812	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(F)c1	495327033	VHZQZYQESDXFIC-UHFFFAOYSA-N	303.677	1.195	50	20	DDGD	
CCN(CCO)NC(=O)C(C)(C)Cc1nc2ccccc2[nH]1	823884766	JBQOQQMRENNFQN-UHFFFAOYSA-N	304.394	1.477	50	20	DDGD	
C=CCOCC(=O)NNC(=O)c1c(Cl)cccc1Cl	729374552	QARXOPYRFQHSGM-UHFFFAOYSA-N	303.145	1.957	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)c1cnn(C2CCC2)c1	826696583	XDCPAVHFXGTWFW-UHFFFAOYSA-N	303.297	1.217	50	20	DDGD	
O=C(NN=Cc1csc(-c2cccs2)n1)C(=O)NC1CC1	728425222	DWTOEJURHFQDBM-UHFFFAOYSA-N	320.399	1.600	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C	825753456	MIVGKHZFIAASDP-PBXXVYOESA-N	323.437	1.957	50	20	DDGD	
NC(=O)N1CCC(=NNC(=O)CCCc2ccccc2)CC1	727689177	OBFIZWXZJAMQFS-UHFFFAOYSA-N	302.378	1.656	50	20	DDGD	
O=C(CN1CCOC1=O)NNc1cc(Cl)nc(Cl)c1	823807154	RSMCOFXRSNIGRV-UHFFFAOYSA-N	305.121	1.284	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C2CCC(C(=O)N(C)C)CC2)n1	820522903	BBWBYDUBRGSLQO-UHFFFAOYSA-N	319.409	1.431	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)C(C)(C)CN1CCOCC1	824408489	OSBCGTRTWVAEMC-UHFFFAOYSA-N	309.385	1.936	50	20	DDGD	
CC[C@H](O)[C@@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1F	900934953	CUFGMRVGIUDVOA-HQJQHLMTSA-N	302.733	1.647	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H]1CCN(C(N)=O)C1	490877968	NERPZSMUTXTLKT-SVTZGKHISA-N	302.309	1.002	50	20	DDGD	
C=CC(C)(C)C(=O)NNC(=O)Cn1c(CC)nc2ccccc21	822203664	GKWZBCIARBRAAK-UHFFFAOYSA-N	314.389	1.958	50	20	DDGD	
CS[C@H]1CCC[C@H]1c1nc(-c2cccc(B(O)O)c2)no1	585052374	KNXGFYDBWKZOBY-NEPJUHHUSA-N	304.180	1.416	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C	497257479	OQHWGSHDMUEBFK-MNOVXSKESA-N	306.366	1.746	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1CC[C@@H]2CCCCN21	900643207	BDGOTKUBRJTSQB-JSGCOSHPSA-N	317.389	1.473	50	20	DDGD	
O=C(c1ccnc(Oc2ccccc2)c1)N1CC[C@@H](B(O)O)C1	585070378	WEULINQVGPQISW-CYBMUJFWSA-N	312.134	1.563	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C)CSc1ccccc1	732052365	KWJXHUGIMGZVSK-NSHDSACASA-N	323.418	1.087	50	20	DDGD	
C[C@H](O)CN(CC(F)F)C(=O)[C@@]1(C)C[C@H]1Br	909260796	AVOWMSBQORMCMA-PJKMHFRUSA-N	300.143	1.634	50	20	DDGD	
CC[C@H](C)n1ncc(NC(=O)c2ccc(B(O)O)c(F)c2)c1C	584981645	ZITSXQNJBNWVTR-VIFPVBQESA-N	319.145	1.234	50	20	DDGD	
O=C(CN1CCSC[C@@H]1C1CC1)NNC(=O)c1ccccc1	831773511	POUKGWZEDJZBSY-CQSZACIVSA-N	319.430	1.275	50	20	DDGD	
CC(C)NC(=O)OC[C@@H]1CCCCN1S(=O)(=O)CCl	831528063	KWNDNXXCQISRCF-JTQLQIEISA-N	312.819	1.502	50	20	DDGD	
COC(=O)NN=C1CCOC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C	495447142	CTXSUFLRGNKHCH-NXEZZACHSA-N	315.370	1.648	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](C)c1cccc(C2CC2)c1	838626852	OTJHLHOZGFBSJQ-NSHDSACASA-N	305.378	1.992	50	20	DDGD	
O=C(c1cc(-c2ccccc2F)on1)N1CC[C@H](B(O)O)C1	585068835	IKBGJEVZOUUBAP-VIFPVBQESA-N	304.086	1.170	50	20	DDGD	
O=C(NC1CC(C2CCCCC2)C1)c1cc(B(O)O)ccc1F	585004515	GSFHBRJZDAZCED-UHFFFAOYSA-N	319.185	1.594	50	20	DDGD	
O=C(NNC(=O)[C@@H]1SCCc2ccccc21)[C@@H]1CCCCO1	833247145	YTBSYVCFYJGMGX-UONOGXRCSA-N	320.414	1.734	50	20	DDGD	
O=C(COc1ccc2c(c1)CCC(=O)N2)NCC(Cl)Cl	837650746	JLMPMWUUCRKDAE-UHFFFAOYSA-N	317.172	1.870	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)COCc1ccccc1	737438886	NHBBADMHDSYOPP-UHFFFAOYSA-N	300.362	1.704	50	20	DDGD	
CN(C)CCNC(=S)NNC(=O)Nc1ccc(Cl)cc1	734379709	JJCDQESSBVDIPV-UHFFFAOYSA-N	315.830	1.402	50	20	DDGD	
C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cccc(B(O)O)c1	584989384	COVRLRWIVJDDIM-OCCSQVGLSA-N	303.211	1.653	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1nc(-c2cnccn2)no1	908222492	FBIFZOZCNWRYLE-UHFFFAOYSA-N	302.121	1.402	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1nc(-c2cccnc2)no1)[C@@H](C)N	831890583	NFXDAUOOCINJSO-MWLCHTKSSA-N	304.354	1.194	50	20	DDGD	
C[C@]1(C(=O)NCc2nc3cccnc3[nH]2)C[C@@H]1Br	907649019	VJOBRNCSHOUDSJ-UFBFGSQYSA-N	309.167	1.748	50	20	DDGD	
CSC[C@@H](C)NC(=O)NNC(=O)COc1ccc(C#N)cc1	737061588	SDMLOAZBLOZBBX-SNVBAGLBSA-N	322.390	1.019	50	20	DDGD	
CN(C)CC(=O)NN=Cc1c(Cl)cccc1OC(F)F	732925018	PABBFASBCOEEHG-UHFFFAOYSA-N	305.712	1.953	50	20	DDGD	
CC(C)N(CC(=O)NNC(=O)C1CC1)Cc1ccc(F)cc1	733194773	MQINYWMXLWZICV-UHFFFAOYSA-N	307.369	1.594	50	20	DDGD	
CC(C)(CNCc1ccc(B(O)O)cc1F)c1cccs1	585023696	OQJRRZAIUGQSMM-UHFFFAOYSA-N	307.199	1.634	50	20	DDGD	
O=C(CNC(=O)c1ccncc1)NNc1ccc(F)cc1F	733362986	DFXJENPWFBRNRW-UHFFFAOYSA-N	306.272	1.233	50	20	DDGD	
O=C(C[C@@H]1C[C@H]2CC[C@H]1O2)NNC(=O)c1ccc2c(c1)OCO2	836202194	LGHFPZOOYNLADG-QJPTWQEYSA-N	318.329	1.134	50	20	DDGD	
C[C@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CC=C(C#N)CC1	833404379	JQVFWKOXMRFQNW-GFCCVEGCSA-N	313.357	1.545	50	20	DDGD	
COCCN(C)NC(=O)c1c(F)cc(Br)cc1F	837623671	LOIKUXBNUIRWLI-UHFFFAOYSA-N	323.137	1.950	50	20	DDGD	
CC(C)c1ccc(NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1	837314567	UWLHNPNXWPZKOD-ZDUSSCGKSA-N	311.407	1.623	50	20	DDGD	
CCN1CCO[C@H](C(=O)NNc2cc(C(F)(F)F)ccn2)C1	832963258	USLUNTDYFUCLON-JTQLQIEISA-N	318.299	1.264	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](CC)CC(F)(F)F	838115667	CDJOKFYYHNMXHT-HTQZYQBOSA-N	312.288	1.454	50	20	DDGD	
CON1CCC(=NNC(=O)COc2ccc(Cl)cc2)CC1	834922617	UQVROYIMKAHNSN-UHFFFAOYSA-N	311.769	1.848	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1ccc(OCC(C)C)cc1	833385402	YBVYWQFUEDXPFL-UHFFFAOYSA-N	307.350	1.829	50	20	DDGD	
CCN(CC)CCC(=O)NN=C(C)c1ccc(O)c(OC)c1	916354632	GPDDDZOVVAEOJR-UHFFFAOYSA-N	307.394	1.973	50	20	DDGD	
CC1=CC(=NNC(=O)c2csc(N3CCOCC3)n2)CC1	916338761	SPJMOUAFKRUCGZ-UHFFFAOYSA-N	306.391	1.806	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@H]1CCCN(CCc2ccccc2)C1	910149580	GJWPTMPXBXDKIU-NVXWUHKLSA-N	319.449	1.285	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(C)C[C@@H]2CCCCO2)c1	745983418	NNKMZSSGBISKIM-HNNXBMFYSA-N	319.405	1.257	50	20	DDGD	
CO[C@@H](C=NNC(=O)CNc1ccccc1F)[C@H]1CCOC1	841605161	XFXQEEYAASJXCM-FZMZJTMJSA-N	309.341	1.391	50	20	DDGD	
C[C@@]1(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)C[C@H]1Br	912058333	JBBPDXWMLKXNQB-KZVDOYCCSA-N	310.191	1.934	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)NC[C@@H](N)C(C)C)cc1	841943140	HFZSBDYAQXOUAU-CYBMUJFWSA-N	324.450	1.401	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=S)NCC2CC2)c1C	849252794	IXISPPPJLZLFCT-GFCCVEGCSA-N	321.446	1.976	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1c(Cl)nc2ccccn12	842556937	OLNHTTGRCADDIA-VHSXEESVSA-N	306.753	1.863	50	20	DDGD	
C[C@H]1CC[C@H](C)N1CC(=O)NNC(=O)c1cccc(Cl)c1	746094750	DWTJXXGVYFAOFH-QWRGUYRKSA-N	309.797	1.974	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)c1nc(N)nc(N(C)C)n1	846649641	ZYAPCNNKDYVAJI-UHFFFAOYSA-N	315.381	1.148	50	20	DDGD	
CS(=O)(=O)CCC(=O)NNc1cccc(Br)c1	916981179	DWJBSLDFFMUTOI-UHFFFAOYSA-N	321.196	1.327	50	20	DDGD	
O=C(NC[C@@H]1CCC[C@@H]1C1CC1)NNC(=O)[C@@H]1CCCCO1	840393144	UIHDBOMUWUAKGO-MJBXVCDLSA-N	309.410	1.712	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=Cc2ccccn2)C[C@@H](C)O1	916371904	NLCRHLIQMKZDKG-MELADBBJSA-N	304.394	1.277	50	20	DDGD	
CN1Cc2c(NC(=O)NNC(=O)CC(C)(C)C)cccc2C1=O	841735912	XWWQCRNYVALNSD-UHFFFAOYSA-N	318.377	1.861	50	20	DDGD	
O=S(=O)(N[C@@H]1C=C[C@H](CO)C1)c1ccc(CCl)cc1	914220151	JRXRGQOKBCSCDV-NWDGAFQWSA-N	301.795	1.641	50	20	DDGD	
Cn1c(=NNC(=O)c2ccc(C(N)=O)o2)sc2ccccc21	747380061	PKXPIDWHFOVJID-UHFFFAOYSA-N	316.342	1.177	50	20	DDGD	
Cc1cccn2cc(CCNC(=O)NNC(=O)CC(C)C)nc12	746776723	VYKRPTPLMPWOEV-UHFFFAOYSA-N	317.393	1.562	50	20	DDGD	
CC1(CNC(=O)NNC(=O)Cc2ccc(F)cc2)CCNCC1	841969576	KQZYOAFGOSYNMR-UHFFFAOYSA-N	322.384	1.088	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1	840295316	WQFMUTJXIKNOIW-NWDGAFQWSA-N	306.322	1.437	50	20	DDGD	
C[C@H]1C(=O)N(C)S(=O)(=O)N1CCO[Si](C)(C)C(C)(C)C	840209228	XZXFFSDSSVZWQC-JTQLQIEISA-N	322.503	1.416	50	20	DDGD	
CC(=NNC(=O)c1cccnc1)c1ccc([S@](C)=O)cc1	746366884	STLZANDHAMZWHO-NRFANRHFSA-N	301.371	1.973	50	20	DDGD	
C[C@]1(C(=O)Nc2nn3cnnc3s2)C[C@@H]1Br	913490071	HHUXLNSTXBEPAC-NVNXEXLPSA-N	302.157	1.298	50	20	DDGD	
C=CCc1ccc(OCC(=O)NNC(=O)N(C)C)c(OC)c1	746012439	BKCATOKYXMOEAF-UHFFFAOYSA-N	307.350	1.105	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1c(Cl)cc(C#N)cc1Cl	910161438	ZWBBRIDPIASCCY-ZETCQYMHSA-N	302.161	1.822	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNC(=O)c2ncccn2)s1	841354894	UTKKFEFBULBPFT-UHFFFAOYSA-N	305.363	1.305	50	20	DDGD	
Cc1noc(-c2ccccc2C(=O)NNC(=O)c2ccccn2)n1	742031415	GVXLKOBCQOYZGD-UHFFFAOYSA-N	323.312	1.515	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCCN(C2CCCC2)CC1	744404028	DWIIFYVGXBIEAT-UHFFFAOYSA-N	324.469	1.130	50	20	DDGD	
CC(C)[C@](C)(O)C(=O)Nc1cccc(NC(=O)NN(C)C)c1	843870051	MGJRUNGHSHGCFH-HNNXBMFYSA-N	308.382	1.630	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)C[C@@H](OC)C1CCCC1	849303603	GSVMTMAVIDNTRA-CMPLNLGQSA-N	306.428	1.188	50	20	DDGD	
C[C@H](OC1CCCCCC1)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843656152	XNVKROWQFGMKOW-SGMGOOAPSA-N	312.410	1.687	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)NC1CC1)N1CCc2ccccc21	847392111	LYQIRAGHMMHKES-LLVKDONJSA-N	302.378	1.321	50	20	DDGD	
N#CC1(CNC(=O)NNC(=O)CCOc2ccccc2)CCC1	842197608	XDOAYRJEYDURBG-UHFFFAOYSA-N	316.361	1.480	50	20	DDGD	
Cn1nc(C(=O)NC[C@@]2(C)C[C@@H]2Br)cc1Cl	857385966	ODNPHOYLVQRMSJ-OIBJUYFYSA-N	306.591	1.977	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C	854922238	BMEQUJDFXNRHRG-UHFFFAOYSA-N	310.379	1.601	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)C(C)C)cc([N+](=O)[O-])c1F	757926045	MGHRXAOHMLXFSC-UHFFFAOYSA-N	319.314	1.008	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC[C@H]([C@H]2CCOC2)C1	866998437	DQRMEJOAFNWNGW-RYUDHWBXSA-N	309.859	1.940	50	20	DDGD	
COc1cccc(CC(=NNC(=O)C(=O)NC2CC2)C2CC2)c1	752719818	BINAAIWTKPMIER-UHFFFAOYSA-N	315.373	1.399	50	20	DDGD	
CN1C(=O)CCC[C@H]1C(=O)OC[C@H](CBr)C1CC1	922993327	HYJIAAJIJDYNRW-QWRGUYRKSA-N	318.211	1.962	50	20	DDGD	
COC(=O)N(C)CCNC(=O)NNc1cc(F)ccc1F	923308472	JGKIJZZWKJHWHI-UHFFFAOYSA-N	302.281	1.289	50	20	DDGD	
CO[C@H](C=NNC(=O)C(=O)Nc1ccc(C)c(C)c1)C1CC1	853281004	TXSGNXSRDBHXGE-CQSZACIVSA-N	303.362	1.769	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@H]1c1ccc(F)cc1	852393557	HFJFZLUFTOIPTI-BPNCWPANSA-N	321.352	1.738	50	20	DDGD	
Cn1ncc(C(=O)NNc2ncccc2[N+](=O)[O-])c1C1CC1	759297056	BAHLUNBYFNHLSA-UHFFFAOYSA-N	302.294	1.358	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(N)c(OC(F)(F)F)c1	854410214	UIZBBQOXAJUKPN-UHFFFAOYSA-N	307.228	1.510	50	20	DDGD	
COc1cc(C)ccc1NC(=O)NNC(=O)c1c[nH]nc1C	756182474	SVMAXHUOCWUILB-UHFFFAOYSA-N	303.322	1.502	50	20	DDGD	
CNC(=S)N(C)NC(=O)Cc1ccc2c(c1)OC(F)(F)O2	854927860	RWSMZLSECDAMTH-UHFFFAOYSA-N	317.317	1.018	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2C[C@@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)c1	858707134	KWJYUVIBQOHKIG-NNYUYHANSA-N	319.386	1.296	50	20	DDGD	
CC(C)Oc1ncccc1C(=O)NNC(=S)N[C@H](C)C1CC1	855096483	BRYPGXIBQQOWEV-SNVBAGLBSA-N	322.434	1.776	50	20	DDGD	
C[C@H]1CC(=NNC(=O)CCCNC(=O)C(C)(C)C)c2ncnn21	853408751	WCJSXKFXFLXQLM-JTQLQIEISA-N	320.397	1.006	50	20	DDGD	
CCn1ncc(C)c1NC(=O)C(=O)NNc1cc(C)ccc1F	850428091	KIFQBPBYYDILMA-UHFFFAOYSA-N	319.340	1.741	50	20	DDGD	
Cc1cccc2c1OCCC2=NNC(=O)[C@H]1CCS(=O)(=O)C1	920370566	JVVNVFPACWCGIA-NSHDSACASA-N	322.386	1.033	50	20	DDGD	
CC[C@](C)(O)C(=O)NNC(=O)CSc1ccc(Cl)cc1	929257102	JFTGTNBLNRITJK-ZDUSSCGKSA-N	316.810	1.741	50	20	DDGD	
CC1(C(=O)NNc2ccc(C(F)(F)F)nn2)CCOCC1	755197700	RPYZGQZFAXDBHI-UHFFFAOYSA-N	304.272	1.755	50	20	DDGD	
Cc1cc(C)n([C@@H](C)CC(=O)NNC(=S)NCC2CCC2)n1	855092054	NZVUUFWMVFRPSI-LBPRGKRZSA-N	323.466	1.746	50	20	DDGD	
CCOCCNC(=O)COC(=O)/C(C#N)=C\c1ccc(C)cc1	753439989	LWKQDFYZMLRGBV-GDNBJRDFSA-N	316.357	1.598	50	20	DDGD	
O=C(NNC(=O)N1CC[C@@H](C2CCOCC2)C1)C1CCCC1	753338659	DHBVYMNNMPDDOO-CQSZACIVSA-N	309.410	1.666	50	20	DDGD	
O=C(COC(=O)CCCF)NNC(=O)c1ccc(Cl)cc1	850190800	NXAORUAPYVQOMU-UHFFFAOYSA-N	316.716	1.394	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc2c(c1)OC(F)(F)O2	854920531	GVLZMQXHZLIKKR-UHFFFAOYSA-N	303.290	1.089	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1[nH]c(C)nc1C	856724311	BSYUNIIMTPEDMH-UHFFFAOYSA-N	316.361	1.429	50	20	DDGD	
O=C(CCN1CCOC1=O)NNc1ccc([N+](=O)[O-])cc1F	855621129	LCZDZZUQQSZLLQ-UHFFFAOYSA-N	312.257	1.019	50	20	DDGD	
C=CCN(CC(=O)NNC(=O)c1ccc(F)cc1)C(C)(C)C	852554476	NYIMMDNNZCRWEE-UHFFFAOYSA-N	307.369	1.873	50	20	DDGD	
CN(C[C@@H]1CC1(C)C)C(=O)NNC(=O)c1cccc(C#N)c1	852056621	NQBOJDGVCGXBPU-ZDUSSCGKSA-N	300.362	1.891	50	20	DDGD	
Cc1nn(C)cc1C1=NO[C@H](C(=O)NCC(Cl)Cl)C1	935967148	CUEDFSHVAKREFP-VIFPVBQESA-N	305.165	1.141	50	20	DDGD	
C#CCCCC(=O)NNC(=O)N[C@@](C)(COC)C(F)(F)F	932315463	YAAVUOQHSIGYQY-NSHDSACASA-N	309.288	1.088	50	20	DDGD	
COCC(C)(C)C=NNC(=O)COc1ccccc1[N+](=O)[O-]	754913725	KBHSMLFATVWYEW-UHFFFAOYSA-N	309.322	1.748	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1ccc2c(c1)C(C)(C)C(=O)N2	759196338	WJYOEHQANIVVMG-UHFFFAOYSA-N	302.378	1.318	50	20	DDGD	
Cc1nc2c(cc1C(=O)NCCCSC#N)c(C)nn2C	854362831	CMBWKDYCHXBQTP-UHFFFAOYSA-N	303.391	1.919	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cccc2c1CCC2	854281100	PGZAELVVOPAIFS-UHFFFAOYSA-N	321.446	1.663	50	20	DDGD	
C=C[C@H](CO)NC(=O)/C(C#N)=C\c1cc(C)n(CCOC)c1C	856274970	MAIYDQPLNPXFFT-QOBZYLRHSA-N	317.389	1.321	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1c[nH]cc1Cc1ccccc1	930735028	VPHNCBHQMGSFFH-UHFFFAOYSA-N	312.373	1.960	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)CCc2ccccc2O)[C@@H]1C	863865859	CMLQUUFRYZQVAH-JBBSTSQOSA-N	320.389	1.532	50	20	DDGD	
COCCOCC(=O)NNC(=O)[C@@]1(c2ccccc2)CC1(C)C	869901423	SSWNIEYIZVUNMX-KRWDZBQOSA-N	320.389	1.165	50	20	DDGD	
CSc1cccc(C)c1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1	860953722	OOAYETABBZQKTN-VIFPVBQESA-N	322.390	1.148	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1ccn(CC(F)F)n1	863100174	QHDBEILXLFKENI-UHFFFAOYSA-N	322.184	1.580	50	20	DDGD	
CC[C@H](C)c1ccc(C(=O)NNC(=O)COCCOC)cc1	869910123	NWRDDZGRCHAJGN-LBPRGKRZSA-N	308.378	1.624	50	20	DDGD	
COc1nccnc1NNC(=O)c1cccc(C[S@@](C)=O)c1	764460794	ODYXCJXXSSADHU-JOCHJYFZSA-N	320.374	1.121	50	20	DDGD	
CC(=O)NNC(=O)c1ccc(F)c(I)c1	763739157	KYZDWWQXOICYMI-UHFFFAOYSA-N	322.077	1.211	50	20	DDGD	
CC#CCCCC(=O)OCC(=O)NNC(=O)c1cccs1	767668753	UJRQRKBVMCTWPC-UHFFFAOYSA-N	308.359	1.246	50	20	DDGD	
CCOC(C)(C)C(=O)NNc1cccc(S(C)(=O)=O)c1	867240421	YZUYKATWGIZIKS-UHFFFAOYSA-N	300.380	1.348	50	20	DDGD	
CC(=NNC(=O)c1cn[nH]c1)c1cccc(N2CCOCC2)c1	863156105	LUQASULVZKYHEU-UHFFFAOYSA-N	313.361	1.400	50	20	DDGD	
C[C@@H](NNC(=O)[C@@H]1CN(C)C(=O)c2ccccc21)C(F)(F)F	862318911	YYVZLKZDPLGKOZ-LDYMZIIASA-N	315.295	1.427	50	20	DDGD	
OB(O)c1cccc(CNc2ccc3c(cnn3C(F)F)c2)c1	864030193	JCCJZPGFHPHRRJ-UHFFFAOYSA-N	317.104	1.723	50	20	DDGD	
Cc1csc(C(=O)NNC(=S)NC[C@H]2CCCCO2)c1	863205030	OTAXASIQUHMUDG-SNVBAGLBSA-N	313.448	1.735	50	20	DDGD	
O=C(NN=Cc1cnc(C2OCCO2)s1)c1ccc(O)cc1	761745435	XZSBXPQIDTVKIZ-UHFFFAOYSA-N	319.342	1.658	50	20	DDGD	
CC1(C)CC(=NNC(=O)CNC(=O)c2cccnc2)C(C)(C)O1	763204325	MBHPZSRKRLTJDQ-UHFFFAOYSA-N	318.377	1.261	50	20	DDGD	
CCCn1cc(C(=O)NNc2nc(C(F)(F)F)cs2)nn1	767148202	KWFKYCBIYYEGFN-UHFFFAOYSA-N	320.300	1.920	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2c(C)nc3sc(C)nn23)n[nH]1	765572987	QXOIESBHAUQKNE-UHFFFAOYSA-N	317.378	1.132	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CCC(=O)N1)c1cc(C(=O)O)ccc1F	863148076	SMDLYXYRPXRNLF-LBPRGKRZSA-N	321.308	1.033	50	20	DDGD	
O=C(CN1CCCNC1=O)NNc1ccc(F)c(Cl)c1	863079171	UILDSJFGPGJVCQ-UHFFFAOYSA-N	300.721	1.338	50	20	DDGD	
Nc1cnnc(NNC(=O)C(F)(F)c2ccccc2)c1Cl	1116298406	PHXQYFXCFKGNOJ-UHFFFAOYSA-N	313.695	1.947	50	20	DDGD	
CC(C)Cn1nccc1C(=O)NNC(=S)Nc1ccccn1	874957502	MKUKBHGOAKVITB-UHFFFAOYSA-N	318.406	1.566	50	20	DDGD	
CN(C)CCn1nccc1NC(=O)NNc1ccc(F)cn1	879673943	TXEFFXHQSASWHA-UHFFFAOYSA-N	307.333	1.127	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](C)Oc1ccc(F)cc1	764459930	GAMMHTMOXQUXBQ-VIFPVBQESA-N	306.297	1.535	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)C(=O)Nc1cccnc1	764331415	CTMCBXVTFFIOBX-UHFFFAOYSA-N	324.296	1.228	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)COCCOC)C1(CC)CC	872401897	MQTOMAHSKSXYER-ZDUSSCGKSA-N	300.399	1.737	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)COC(=O)CCC(C)C	767268089	CDFKJDCLQZKBRP-UHFFFAOYSA-N	320.389	1.664	50	20	DDGD	
O=C(NN=C1CCC(O)CC1)c1nnc(-c2ccccc2)o1	761800226	NLPGWUUBWYLUJW-UHFFFAOYSA-N	300.318	1.757	50	20	DDGD	
CC(=NNC(=O)C[N+](C)(C)C)C1CN(C(=O)OC(C)(C)C)C1	1116886253	IFNOHLNFKPLMLY-UHFFFAOYSA-O	313.422	1.052	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc(OCC(C)C)cc1	872402882	MGJSDYOJBMWDJQ-UHFFFAOYSA-N	308.378	1.835	50	20	DDGD	
CC(C)(C)[C@@H](NC(=O)NNC(=O)Cc1cc[nH]n1)C(F)(F)F	775983102	BBZYWPOYZAQREI-SECBINFHSA-N	321.303	1.260	50	20	DDGD	
CCOc1ccc2c(c1)[C@@H](NC(=O)NNC(=O)C(C)C)CCO2	773561349	PPGWSFBEAVHMAX-ZDUSSCGKSA-N	321.377	1.895	50	20	DDGD	
CN(C)C1(C(=O)NNC(=O)c2nc3ccccc3s2)CCC1	874914090	KWRKOKRPSNFHNW-UHFFFAOYSA-N	318.402	1.542	50	20	DDGD	
CO[C@@H](C(=O)NNc1nncc(N)c1Cl)c1ccccc1	1116514303	DMCMJLOWRZOVID-LLVKDONJSA-N	307.741	1.543	50	20	DDGD	
O=C(CN1CCN(C2CC2)c2ccccc21)NNC(=O)C1CC1	778435351	YZFLLAWPTDDSNP-UHFFFAOYSA-N	314.389	1.033	50	20	DDGD	
COC[C@H](C)C(C)=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1	777880211	QVSWZFVNYLTXLT-XDQVBPFNSA-N	313.442	1.506	50	20	DDGD	
O=C(CNC(=O)c1cccc(O)c1)NNc1cccnc1Cl	779393722	YMDWQJGDHZWLSX-UHFFFAOYSA-N	320.736	1.314	50	20	DDGD	
O=C(NNc1ccc(F)cn1)[C@@H]1CCCN(CC(F)(F)F)C1	874649370	MTAFTAHDTFICJW-SECBINFHSA-N	320.290	1.938	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)n1	778248450	SXDHHVYJTVIHER-UHFFFAOYSA-N	307.741	1.408	50	20	DDGD	
CCc1ccc(OCC(=O)NNc2nncc(N)c2Cl)cc1	1116297875	FIOHSTKHIBUAED-UHFFFAOYSA-N	321.768	1.797	50	20	DDGD	
COc1cc(C)c(NC(=O)C(=O)NNc2cnccn2)cc1F	773479421	UXUCZXPPSUFXFM-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)C1CC1)c1cccc(Cl)c1	774874664	KZZVYONGTJXRAO-ZDUSSCGKSA-N	309.797	1.938	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1c(C)cccc1C(C)C	877938735	LXLBWVYSCQVGBN-UHFFFAOYSA-N	323.393	1.934	50	20	DDGD	
CCOC(=O)c1cc(NC(=O)NNc2ccccn2)cn1C	779064046	ARTZKFQGLLYFRN-UHFFFAOYSA-N	303.322	1.745	50	20	DDGD	
O=C(NNc1ccc(F)cn1)c1ccc(N2CCCC2)nc1	874651530	PJRSAASUZKHWOP-UHFFFAOYSA-N	301.325	1.973	50	20	DDGD	
Cn1ccc(NNC(=O)C2(c3cccc(Cl)c3)CC(=O)C2)n1	1118048149	ISGFANAHXHPHOI-UHFFFAOYSA-N	318.764	1.818	50	20	DDGD	
C[S@@](=O)c1ccc(NC(=O)NNC(=O)C2CCCC2)cc1	1116589132	QJWNTMUGFPSMBV-OAQYLSRUSA-N	309.391	1.767	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cccc(CCOC(C)=O)c1	879148323	WUEJAGOIXFDMOE-UHFFFAOYSA-N	309.322	1.527	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(C)n([C@@H](C)C3CC3)n2)n1	777302171	ONXCDGQXIZDQHN-JTQLQIEISA-N	316.365	1.718	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)Cc1ccc(Cl)cc1	772852748	YKSKWSGLFKYKQB-UHFFFAOYSA-N	306.753	1.560	50	20	DDGD	
N#Cc1ccc(NNC(=O)NC[C@@H]2CSCCS2)nc1	888532897	WKNBPYLRUIREJB-SNVBAGLBSA-N	309.420	1.428	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	772863702	VNLFAZDCVQMBGA-JTQLQIEISA-N	320.324	1.271	50	20	DDGD	
Cc1cscc1C(=O)NNc1nc(O)c2cnn(C)c2n1	770973506	DAHGBQPQGOCGME-UHFFFAOYSA-N	304.335	1.196	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(C)nc(C(F)(F)F)n1	887146979	SIPZJGWBYRNXQQ-UHFFFAOYSA-N	314.267	1.368	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNc2ccc(C)nn2)cc1C	783951614	CYQVRUICOFGAKM-UHFFFAOYSA-N	313.361	1.738	50	20	DDGD	
CC[C@@H]1C[C@@H](CC(=O)NNC(=O)Cc2ccncc2)CCO1	781693162	JUOBNLIHYCKDPZ-UONOGXRCSA-N	305.378	1.367	50	20	DDGD	
CCn1cc(NC(=O)C(=O)NNc2ncccc2Cl)cn1	784817058	FEDOMDQQGHCRHR-UHFFFAOYSA-N	308.729	1.033	50	20	DDGD	
CO[C@]1(C(=O)NNC(=O)Cc2ccccc2C)CCSC1	889539832	MWJREWVTPRUSPT-OAHLLOKOSA-N	308.403	1.207	50	20	DDGD	
COc1ncc(C)cc1NC(=O)C(=O)NN(C)c1ccccc1	783429888	QCPVNESLPCRPOW-UHFFFAOYSA-N	314.345	1.505	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1CCCN1c1ccccc1	787194006	NDYURJZNZHPNBZ-AWEZNQCLSA-N	304.394	1.786	50	20	DDGD	
C[C@H](NS(=O)(=O)CCCCl)[C@@H](O)c1ccc(F)cc1	881921746	CKGSEWGYVPALOG-JOYOIKCWSA-N	309.790	1.796	50	20	DDGD	
Cc1nc(CNS(=O)(=O)CCCCl)ccc1[C@@H](C)O	882041738	DKDXMAZUIVFIHE-SNVBAGLBSA-N	306.815	1.492	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H](C)CN2CCOCC2)c1	783657525	XNSYPBUVZZQONS-LLVKDONJSA-N	311.357	1.246	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccc(-n3ccnc3)nn2)s1	788180732	FKDZTDUZWNEMQW-UHFFFAOYSA-N	300.347	1.789	50	20	DDGD	
CCN(C)C(=O)[C@@H](C)NC(=O)[C@@H](Br)C(C)(C)C	789872851	QVRBHNCJCOESHF-RKDXNWHRSA-N	307.232	1.779	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)Cc2cccc3ccccc23)CO1	784038690	JPUJBYYEIOABSV-SWLSCSKDSA-N	312.369	1.955	50	20	DDGD	
COc1ccc2c(c1)C(C)(C)CC2=NNC(=O)C(=O)NC1CC1	788708081	FFSFHSYEDQSQDP-UHFFFAOYSA-N	315.373	1.475	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2ccc(OC(F)F)cc2)C(=O)O1	896338169	BMNIMGFHVNCVTQ-XVKPBYJWSA-N	315.276	1.618	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1cccc(C(=O)N(C)C)c1	899336300	RVRALJKKGHRRMK-GXDHUFHOSA-N	302.330	1.485	50	20	DDGD	
CCCc1noc(CCCC(=O)NNc2ncncc2Cl)n1	781826566	XZOHERBZBMRAMA-UHFFFAOYSA-N	324.772	1.932	50	20	DDGD	
N[C@H]1C[C@H](CNC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)C1	892582287	TVTNUEJDKRYDCZ-PCXNPWDESA-N	320.437	1.271	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ncnc2ccsc12	899999384	KONPBAJLVZSQGM-UHFFFAOYSA-N	309.420	1.599	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNc1nc(O)c2ccccc2n1	795175322	XVXWKIFORXBHLV-BXKDBHETSA-N	304.350	1.840	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@@H](CC)[C@@H](C)O	790065124	JFFYCBUSAHTQQS-NEPJUHHUSA-N	324.377	1.019	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2c(C)cnn2C)n1	794860537	RXBOCIDHMVRVLT-UHFFFAOYSA-N	318.406	1.378	50	20	DDGD	
COc1ccc2cc(C(=O)NNC(=O)c3cccc(C)n3)[nH]c2c1	794079925	HSBYBRCGLVPLAV-UHFFFAOYSA-N	324.340	1.955	50	20	DDGD	
COCC(=O)NN=CCN(C(=O)OC(C)(C)C)C(C)(C)C	794519718	GMJOZQQDQXZHAJ-UHFFFAOYSA-N	301.387	1.770	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(C#N)o1	794181637	ZZKGGGFLPNRCKR-SECBINFHSA-N	317.276	1.519	50	20	DDGD	
CO[C@H]1CCOc2c(NC(=O)NNC(=O)C3CC3)cccc21	790570902	COUDVCTUSXZPEE-LBPRGKRZSA-N	305.334	1.719	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1ccc(OC(F)F)c(F)c1	790342489	UZROFPWUQVPRMJ-UHFFFAOYSA-N	312.269	1.147	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc3ccccc3nc2O)n1	794079801	FATRBEWXNVGKTF-UHFFFAOYSA-N	322.324	1.719	50	20	DDGD	
Cc1ccc2c(c1)CC[C@@H](C(=O)NNC(=O)CC(F)(F)F)O2	794995868	SKFKXRWOZKOIMP-NSHDSACASA-N	316.279	1.788	50	20	DDGD	
CCOC1(C)CCN([C@H](C)C(=O)NNC(=O)CC(C)C)CC1	794631119	FWNUSYWQSUXQFX-CYBMUJFWSA-N	313.442	1.459	50	20	DDGD	
COC(=O)C1(NS(=O)(=O)c2ccc(CCl)cc2)CC1	1334296185	ARALMTRLJNIPFA-UHFFFAOYSA-N	303.767	1.409	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)/C=C/COC)cc1OC	791300288	XMJBFOZAXVRZQX-AATRIKPKSA-N	308.334	1.058	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42	793891619	PGCPRPMQZKSYQM-YHNJSNKWSA-N	316.792	1.967	50	20	DDGD	
CC(=NNC(=O)C[N+](C)(C)C)c1ccccc1Br	1317703060	BGTJVXDWFITMCS-UHFFFAOYSA-O	313.219	1.996	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)C1CCC(CO)CC1	1319544278	ODVYLKYXTZYSLU-IYXRBSQSSA-N	313.442	1.051	50	20	DDGD	
CC(=O)Nc1ccc(F)c(C(=O)NNC(=S)NC(C)C)c1	1317953435	WNIXRQHOTOGJDD-UHFFFAOYSA-N	312.370	1.301	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2	1319075402	RQARWIMUUWYHCM-CHISNJGVSA-N	321.808	1.931	50	20	DDGD	
COC(=O)C(=O)NN=C1CCCC[C@@H]1N1C[C@H](C)C[C@@H](C)C1	1318984037	MLDZQBROLMRRHN-BZPMIXESSA-N	309.410	1.552	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)CCN2CCC(C)CC2)on1	1324474147	RMHRVCYJDQWGFM-UHFFFAOYSA-N	322.365	1.033	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(N2CCOC2=O)ccc1F	1320117970	CCAWLYOURDHDME-UHFFFAOYSA-N	310.285	1.345	50	20	DDGD	
O=C(NCCc1cn[nH]c1)NNC(=O)c1ccccc1Cl	1324257310	KMLZIWSETLQZMW-UHFFFAOYSA-N	307.741	1.250	50	20	DDGD	
Cc1nc([C@@H]2CCOC2)sc1C(=O)NNc1ccn(C)n1	1331162799	NFGJOWJAOOBZIM-SECBINFHSA-N	307.379	1.446	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2ccc(N3CCCC3)cc2)N1	1331820076	DLOMOJIUYGXGMO-CQSZACIVSA-N	300.362	1.016	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCSC[C@@H]1CO	1337159931	UAVNXFDFOYPFNN-OTAKNEKHSA-N	304.371	1.235	50	20	DDGD	
Cn1ccc(NNC(=O)CC[C@H]2Cc3ccccc3NC2=O)n1	1339437238	FCXHNBLBYGCFID-LBPRGKRZSA-N	313.361	1.454	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCc2nc[nH]c2[C@@H]1c1cccnc1	1336534025	KKPMOKNODVIWIA-DDKJEQMHSA-N	323.356	1.723	50	20	DDGD	
O=C(CCl)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O	1336912687	ZQVDZRAMLUYAGI-UHFFFAOYSA-N	318.782	1.354	50	20	DDGD	
C[C@@H]1[C@@H](C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)C1(F)F	1345492457	WPUKHFMPYNLEHF-PELKAZGASA-N	320.299	1.739	50	20	DDGD	
C[C@H](CN1CCN(C)CC1)NC(=O)C1CCC(Cl)CC1	1263727936	CERCYJXFGGCJTA-IYXRBSQSSA-N	301.862	1.536	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(OC)cc2)C1	1348071379	STCKRORIRAMSTI-BJHJDKERSA-N	307.350	1.207	50	20	DDGD	
C[C@@H]1C[C@H](c2cccnc2)N(C(=O)NNC(=O)c2cn[nH]c2)C1	1348123228	TXBDDQUSPJUXKP-ZWNOBZJWSA-N	314.349	1.242	50	20	DDGD	
COc1cc(NNC(=O)CO[C@@H]2CCOC2)ccc1Cl	1344121149	RTYKDLMMNDAJSW-SNVBAGLBSA-N	300.742	1.597	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C1CCNCC1)[C@H]1C[C@H]2CC[C@H]1C2	1345130217	TVCHXQMKFHARDI-AUZPSNTRSA-N	308.426	1.141	50	20	DDGD	
C[C@]1(NC(=O)NC[C@]2(C)C[C@@H]2Br)CCOC1=O	1346448112	PJOROLMMLOBINS-SWPVVBRQSA-N	305.172	1.165	50	20	DDGD	
CN1C(=O)CCC[C@H]1C(=O)NNc1ccc(C(C)(C)C)nn1	1355332766	BTIQNXNIDOCNDI-JTQLQIEISA-N	305.382	1.228	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2C[C@H]3C[C@@H](C(=O)O)[C@H]2C3)n1	1600178949	NSOCBPQLCSSPLN-IJLUTSLNSA-N	304.350	1.103	50	20	DDGD	
O=C(O)Cc1ccc(NC(=O)NNC(=O)C2CCCC2)cc1	1602125162	SBNPHSSXEKJUNS-UHFFFAOYSA-N	305.334	1.657	50	20	DDGD	
CCC(=O)N1CSC[C@@H]1C(=O)NNc1cccc(C(=O)O)c1	1604857905	XDNWUQSZSDOVQY-LLVKDONJSA-N	323.374	1.139	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(C(=O)O)cn2)sc1C=O	1600094957	BGXWDRQWXXRRFM-UHFFFAOYSA-N	305.315	1.719	50	20	DDGD	
O=C(C[C@@H]1CCOC1)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1606503645	SFVBMFQZWFIVLS-QMMMGPOBSA-N	322.756	1.390	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H](C(=O)O)C1)c1nc2ccccc2s1	1608479295	XSGHCAUMIKRCCA-OCAPTIKFSA-N	319.342	1.168	50	20	DDGD	
O=C(/C=C/c1ccc(C(=O)O)o1)NNC(=O)Nc1ccccc1	1605659809	MPUIQTXHJRJLSQ-VQHVLOKHSA-N	315.285	1.844	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1ccc2c(n1)OCCO2	1601561098	OTSHHNOFXYYYMP-UHFFFAOYSA-N	315.285	1.308	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)[C@@]23CCCN(CC2)C3)cc1	1608780788	VXRNBEGRSZCJHV-INIZCTEOSA-N	303.362	1.243	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CC(C)(C)CC(=O)O)c(O)c1	1600341660	ULVXBEUPGWTBDY-UHFFFAOYSA-N	308.334	1.353	50	20	DDGD	
O=C(Cc1ccccc1O)NNC(=O)c1cccc(C(=O)O)c1	1608368265	HGZIYEGEBRZUDK-UHFFFAOYSA-N	314.297	1.094	50	20	DDGD	
Cc1cc(C(=O)O)oc1C(=O)NNc1cc(C#N)cc(Cl)n1	1600133694	OPNUMVHVXJICDE-UHFFFAOYSA-N	320.692	1.963	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NC1CC(C(=O)O)C1)c1ccccc1	1603237964	IWQSKAFIMGAWJR-UHFFFAOYSA-N	319.361	1.158	50	20	DDGD	
COC[C@H](NC(=O)NNc1cccc(C(=O)O)c1)[C@@H]1CCCO1	1606806891	BWYQIXQLOYXLTB-STQMWFEESA-N	323.349	1.205	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCC(=O)CCC(=O)O	1610618708	LENSVGITDDNXOT-XFFZJAGNSA-N	303.270	1.276	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)C1CC(F)(F)C1	1549684466	AXWLZSJKTXNDKA-VXGBXAGGSA-N	301.337	1.387	50	20	DDGD	
CC#CC[C@@H](N)C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	1574973603	XBYNMOYWKRCZAB-CMPLNLGQSA-N	319.430	1.375	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@H]2C[C@H]3CC[C@@H]2N3)c(Cl)c1	1579720407	QYUSQWFAQDSDTP-SCVCMEIPSA-N	322.796	1.942	50	20	DDGD	
CCOCc1nc(C)cc(NNC(=O)[C@@H]2NCC23CCCC3)n1	1578126968	ITBQNHMSKOIGRF-AWEZNQCLSA-N	319.409	1.297	50	20	DDGD	
CC(C)C[C@H](N)C(=O)NNC(=S)NCCc1cccs1	1575640003	IHQQYFLCUKOVDO-NSHDSACASA-N	314.480	1.159	50	20	DDGD	
CC(=O)N[C@](C)(C(=O)NNc1cccc(C(=O)O)c1)C(C)C	1589104773	YZDGDIMSECMORV-HNNXBMFYSA-N	307.350	1.379	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)c2ccccn2)C1	1842386157	VNSLWHRXBHXSLW-LLVKDONJSA-N	311.744	1.433	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@]1(C(=O)O)CC1(C)C)c1ccccc1	1588609791	DWOUASLAIXMCLU-QGZVFWFLSA-N	318.373	1.613	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H]2CC[C@H]2C(=O)O)c1	1588439888	VGVTUFCMPKDGDB-NWDGAFQWSA-N	317.370	1.096	50	20	DDGD	
C[C@@H](CBr)CN1CC[C@]2(CC(C(=O)O)=NO2)C1	1592212090	PGJKKLRJLPUFMX-KWQFWETISA-N	305.172	1.323	50	20	DDGD	
CO[C@H](CC(=O)NNc1ccc(C(=O)O)c(F)c1)C(F)(F)F	1599044049	RPPUBGXDYNTJHZ-SECBINFHSA-N	324.230	1.934	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)CCC(=O)O)c1C	1594408919	UGAGHAUMYIDYSK-NSHDSACASA-N	308.334	1.083	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)C(=O)O)C[C@@H]1C(F)(F)F	1596568266	JJMHEYCXTDWYMK-YUMQZZPRSA-N	324.255	1.085	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1c(F)cc(C(=O)O)cc1F	1776117799	ITRQVDAURVIGAO-RUDMXATFSA-N	310.256	1.333	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cc(F)c(C(=O)O)c(F)c1	1776118046	QIHOPQQMOUDYLW-RUDMXATFSA-N	310.256	1.333	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NN=Cc1csc(C(=O)O)c1	1776098687	UOLNJBWYLFATEL-SNVBAGLBSA-N	309.391	1.769	50	20	DDGD	
COCCOCC(=O)NNc1cccc(Br)c1	152005519	YTVMYTUXKUOVON-UHFFFAOYSA-N	303.156	1.555	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCSc2ccccc2F)[nH]n1	153180154	RTEJLLGUCIZMQA-UHFFFAOYSA-N	322.365	1.801	50	20	DDGD	
O=C(CCCOc1cccnc1)NNc1ncccc1[N+](=O)[O-]	153182607	MFVKSSNBSAELSV-UHFFFAOYSA-N	317.305	1.687	50	20	DDGD	
O=C(NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21)NNC(=O)c1ccc[nH]1	155587233	RKVUMZBXGLBMDG-UMVBOHGHSA-N	310.357	1.545	50	20	DDGD	
O=C(NC[C@H]1[C@H]2c3ccccc3C[C@H]21)NNC(=O)c1ccc[nH]1	155587330	RKVUMZBXGLBMDG-GUTXKFCHSA-N	310.357	1.545	50	20	DDGD	
N#Cc1ccc(NNC(=O)Cn2cnc(-c3ccccc3)n2)cc1	155248875	FOPRCVGBIGQESR-UHFFFAOYSA-N	318.340	1.960	50	20	DDGD	
N#CC1(C(=O)NNc2cccc(C(F)(F)F)n2)CCOCC1	155860704	PEWIRSOMSQWDSU-UHFFFAOYSA-N	314.267	1.864	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)[C@@H]1CCCO1)c1ccc(F)cc1F	157860606	WFLKKUPWVXURRA-ZANVPECISA-N	312.316	1.785	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)c2ccccc2)c1F	159492279	ULVCXXIMRAFSEX-UHFFFAOYSA-N	315.304	1.534	50	20	DDGD	
CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CC=C(C#N)CC1	278284841	ASNYUTBUWKGVJU-ZDUSSCGKSA-N	323.393	1.598	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NN(C)C(=O)OC(C)(C)C	496423817	HXDZYHNFQYMHLD-SECBINFHSA-N	317.386	1.798	50	20	DDGD	
Cc1cccc(OCCCC(=O)NNC(=O)c2ccc[nH]2)c1	6991216	QUQIZGUMNDJNCP-UHFFFAOYSA-N	301.346	1.943	50	20	DDGD	
CO[C@@H](C)C(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1	55118092	DQVONPLQRYGTAG-RYUDHWBXSA-N	316.357	1.789	50	20	DDGD	
O=C(NNC(=O)c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1	50122220	AYNIROLWHDYEGJ-UHFFFAOYSA-N	321.239	1.948	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1	106452002	LTJQAUKKELICHL-BDAKNGLRSA-N	318.299	1.468	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Cc1ccc(C)nc1	55355500	PGBWMXSESKQIHA-UHFFFAOYSA-N	313.357	1.331	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCCc1ccc(NC(C)=O)cc1	103425460	PNYZMILWHDUNKN-KAMYIIQDSA-N	301.346	1.748	50	20	DDGD	
C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)NNC(=O)c1cnn(C)c1	175870128	VNYSZZNRTVGUIB-JQWIXIFHSA-N	307.398	1.579	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)c2ccc(C#N)cc2)nn1C	174148285	RFYWTYMSTVPDNP-UHFFFAOYSA-N	311.345	1.490	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NNc2cnccn2)C1	114882388	QRJOKPYJYKRHSO-RYUDHWBXSA-N	305.382	1.204	50	20	DDGD	
COc1ccnc(NNC(=O)Cn2c(C)nc3ccccc32)n1	52582325	HKYRJKWCEXZOMO-UHFFFAOYSA-N	312.333	1.287	50	20	DDGD	
CN(C)N(C(=O)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1	58564112	VQNOBRBYLRNDDP-LBPRGKRZSA-N	316.810	1.446	50	20	DDGD	
CC[C@H](C)Oc1ccc(C(=O)NNC(=O)c2cnn(C)c2)cc1	176629479	UFMOCVDEKKWCDE-NSHDSACASA-N	316.361	1.672	50	20	DDGD	
CS[C@H]1CCC[C@@H](NC(=O)NNC(=O)c2cnn(C)c2)C1	118077692	NEBWJWCFXDYGOK-MNOVXSKESA-N	311.411	1.038	50	20	DDGD	
COC(=O)/C(C#N)=C/c1ccccc1OCC(=O)NCC1CC1	172016618	YVDQNQGHARUDDS-RIYZIHGNSA-N	314.341	1.672	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)c1cc(C2CC2)[nH]n1	170899469	CKCPAOVPRJBEQG-UHFFFAOYSA-N	323.356	1.703	50	20	DDGD	
C=CCOc1ccc(C(=O)NNC(=O)NCc2ccco2)cc1	65176269	KTWDYENOVKMGBQ-UHFFFAOYSA-N	315.329	1.989	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H](C)c2cn(C)nc2C)n1	69334413	VIBPTIXAGWLOTP-JTQLQIEISA-N	303.370	1.523	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1ccc(Cl)nc1	78400066	MIJPASWBZPHGDA-UHFFFAOYSA-N	304.737	1.608	50	20	DDGD	
CCC[C@@H]1C[C@@H](C(=O)NNC(=O)CNc2ccccc2)CCO1	182942800	JJAPYPWGVGYVAE-DZGCQCFKSA-N	319.405	1.841	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNC(=O)C(C)(C)C)c1ccsc1	79267222	SIHVVGWVLSDSCL-NSHDSACASA-N	312.439	1.727	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1cnn(-c2ccccc2)c1	186016552	UWHXZKYSSSPYSC-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)CNc1ccc(C)cc1	76949866	GUEQZUPHRQMNQO-CYBMUJFWSA-N	305.378	1.536	50	20	DDGD	
CN(NC(=O)c1csc(Cc2ccc(F)cc2)n1)C(N)=O	182661715	LXRCBVMFPSIPQB-UHFFFAOYSA-N	308.338	1.528	50	20	DDGD	
CC[C@@H](C)[C@@H](C)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	182724776	XZODJLNRVVAWOY-GHMZBOCLSA-N	306.362	1.901	50	20	DDGD	
Cc1ccc(NNC(=O)c2c(C)nn(C)c2-n2cccn2)cc1	188198817	DJGLUKCUPTXWAK-UHFFFAOYSA-N	310.361	1.980	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccccc1OCC1CC1	124293068	ZEWCLUXKIWNAPW-UHFFFAOYSA-N	313.357	1.889	50	20	DDGD	
CCC[C@H](C)CC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1	125763799	RDLGFDOGTGNROM-NSHDSACASA-N	316.365	1.250	50	20	DDGD	
Cc1ccc(C(=O)NNc2cccc(S(C)(=O)=O)c2)cn1	181159958	QIWBJKBCQVSOMC-UHFFFAOYSA-N	305.359	1.550	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccccc1N1C[C@H](C)O[C@H](C)C1	181962218	QTEPMSILVBIGCE-PHIMTYICSA-N	306.366	1.473	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)NC(=O)NNC(=O)c1ccccc1O	73232705	DNIFJFYOEQJJJX-MRVPVSSYSA-N	318.333	1.702	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1snnc1C)c1ccccc1	190519709	CNPUEAFBHPQAGT-NSHDSACASA-N	304.375	1.801	50	20	DDGD	
Cc1cccc([C@H](O)CNC(=O)NNC(=O)c2ccccc2)c1	136974268	YVMNHUGUQHPVSX-OAHLLOKOSA-N	313.357	1.673	50	20	DDGD	
C[C@@H]1CCC[C@H](C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)C1	131484266	URZIWHLGNKNFRA-FRRDWIJNSA-N	302.440	1.305	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC[C@H](OCCO)C1	194783405	OHWUFRONTBAJJY-DNXIFWLFSA-N	316.357	1.299	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C\c1ccc(OC)c(OC)c1	192566042	OGFNBJSMUAKIGU-HKMIMPICSA-N	304.346	1.762	50	20	DDGD	
COC(=O)[C@H]1CCC[C@H](C(=O)NNc2nc3ccccn3n2)C1	191929164	RNYBQPOADYKYOC-QWRGUYRKSA-N	317.349	1.152	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)c1cnn2ccncc12	193642098	UWXNPDIZCSESKI-UHFFFAOYSA-N	307.235	1.904	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@H](CO)C(C)C)cc(C#N)n1C	255711273	CZCNCYJKADQBLM-KSKAUBAUSA-N	300.362	1.245	50	20	DDGD	
Cc1cccc(C=NNC(=O)CNC(=O)c2ccco2)c1O	254790536	FQYVCBKDCSOTBX-UHFFFAOYSA-N	301.302	1.174	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21	264015088	HBWIXSKLVRNXRW-NSHDSACASA-N	321.352	1.835	50	20	DDGD	
CC(C)(C)OC(=O)N(CC(=O)NNc1ncccn1)CC1CC1	266216090	AONUWONMCFNELM-UHFFFAOYSA-N	321.381	1.567	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	265071413	ZCOHVDTVFLQARB-YRGRVCCFSA-N	304.346	1.040	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNC(=O)c1ccccc1F	264118354	QHSPQJOCQJTCNC-UHFFFAOYSA-N	309.341	1.283	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@H](OC)C(C)(C)C)n1	266988432	SEEWMKAAYKYBTE-JTQLQIEISA-N	311.386	1.481	50	20	DDGD	
CC1(C)C[C@@H]1NC(=O)NNC(=O)Cc1cn2ccccc2n1	266919804	BXZOUBPEBVVOOP-NSHDSACASA-N	301.350	1.006	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2nnc[nH]2)c1C	263660224	ILNGLDXLCCOMLY-VGOFMYFVSA-N	312.377	1.856	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc(F)cc1Cl	269429742	YQTCPHUOJBIIBC-LLVKDONJSA-N	300.717	1.809	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC[C@H](O)C2)c1C	267897377	WXDZTRBZIWHDJX-LRQZKABGSA-N	317.389	1.252	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C	369789355	IBBNNSKZLCHRDJ-RAIGVLPGSA-N	311.426	1.957	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)CC2(OC)CCC2)c1	276850919	UWHOCCNDUWVGPT-UHFFFAOYSA-N	321.377	1.214	50	20	DDGD	
COCCCn1ccc(NS(=O)(=O)CCCCCl)n1	276222259	MAMGQZHRVNYOOX-UHFFFAOYSA-N	309.819	1.680	50	20	DDGD	
COc1ccc(NNC(=O)c2cncc(-c3cnn(C)c3)c2)nc1	368736165	NNHPJBUMCYHTIL-UHFFFAOYSA-N	324.344	1.643	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNC(=O)c1ccc(Cl)nc1	270780648	UAWLHBQKAGMAPD-UHFFFAOYSA-N	313.741	1.085	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	278293994	QYCWRSQFXMUBIW-CHWSQXEVSA-N	319.317	1.337	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1cc(C#N)ccc1Cl	274200000	RIZYMWZTAKFEMR-UHFFFAOYSA-N	322.752	1.344	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](CO)COC)c1C	279949778	IYKJGFBIQYCFFU-WPBGYSLVSA-N	319.405	1.545	50	20	DDGD	
CSc1nc(C2CC2)nc(C)c1C(=O)NNc1cnccn1	274782650	YEFWFWIFTMAEIK-UHFFFAOYSA-N	316.390	1.931	50	20	DDGD	
Cc1ccn(C[C@](C)(O)C(=O)NNc2ccccc2)c(=O)c1	279644273	WCHYYNIADOAVSI-INIZCTEOSA-N	301.346	1.051	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NNc1cccc2cnccc12	273146996	YFJHUNOABGYIEM-ZDUSSCGKSA-N	314.389	1.646	50	20	DDGD	
Cc1oc2ccc(NC(=O)C(=O)NNC(=O)C3CC3)cc2c1C	275044665	KMQFXEQEACKBBE-UHFFFAOYSA-N	315.329	1.546	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCN(C(C)C)C(C)C)n1	279654377	NBQDZFVQTFKOQQ-UHFFFAOYSA-N	321.425	1.453	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1cc(C)c(OC)c(C)c1	275457019	JIOMWJJMJIKXGH-UHFFFAOYSA-N	315.395	1.167	50	20	DDGD	
CC(C)n1ncc2c1[C@@H](NC(=O)NNc1cccnn1)CCC2	375171229	NJURKJVLMHKDEG-LBPRGKRZSA-N	315.381	1.958	50	20	DDGD	
CON(CC(=O)NNC(=O)c1ccc(F)cc1)CC(C)(C)C	285360686	BNWWSIWBSQHFJV-UHFFFAOYSA-N	311.357	1.496	50	20	DDGD	
CSSCCNC(=O)N1CCOC[C@H]1[C@H]1CCCO1	376418968	DEUBFIJUIAQLJW-WDEREUQCSA-N	306.453	1.587	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CNC(=O)OC(C)(C)C	288619191	JHYMJNMSFGKPCL-UHFFFAOYSA-N	324.337	1.871	50	20	DDGD	
CC(C)(C)OC(=O)CCC(=O)NNC(=O)Nc1ccccc1	283764187	NNSHUHPREAQZIH-UHFFFAOYSA-N	307.350	1.961	50	20	DDGD	
CN(NC(=O)c1cccc(NC(=O)OC(C)(C)C)n1)C(N)=O	281395765	VTIVXUVMNYTWNA-UHFFFAOYSA-N	309.326	1.084	50	20	DDGD	
COc1ccc2c(c1)[C@H](C(=O)NNc1ncncc1F)CC2	294097914	RNZVNJNGECESPD-LLVKDONJSA-N	302.309	1.797	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1ccc(Cl)cn1	804951837	BITZBERVSNLYRG-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
CCOCCCCNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	298949026	KXQJVSUZECTANJ-UHFFFAOYSA-N	324.337	1.356	50	20	DDGD	
Cn1c(=NNC(=O)c2cnn(CCF)c2)sc2ccccc21	806274800	MRZCVKLEVOBLMN-UHFFFAOYSA-N	319.365	1.652	50	20	DDGD	
O=C(Cn1ncc2ccccc2c1=O)NNc1ncccc1F	804215554	VGQDHWQGNAXRRX-UHFFFAOYSA-N	313.292	1.074	50	20	DDGD	
C[C@@H]1CC(=O)N[C@H](C(=O)NNc2cccc(F)c2[N+](=O)[O-])C1	294208189	LDCLBHPOMCYVMX-XVKPBYJWSA-N	310.285	1.092	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cc([N+](=O)[O-])cn1C	805385392	SLYYHZKKBSLJBV-UHFFFAOYSA-N	319.277	1.907	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cccnc2F)c1O	806550717	HYBOJTNNDBVSPY-UHFFFAOYSA-N	305.265	1.010	50	20	DDGD	
N#CCc1cccc(C(=O)NNc2ccc(-n3ccnc3)nn2)c1	804951855	FRKSNTRYQGYHMC-UHFFFAOYSA-N	319.328	1.485	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1ccc(C(F)(F)F)s1	296066034	PEYODHJOXKMRKO-UHFFFAOYSA-N	318.298	1.658	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@]12CC[C@@H](CC1=O)C2(C)C	294875734	DPWZYCRCEZWKIU-BJOHPYRUSA-N	304.350	1.324	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC(C)(C)c2ccccn2)o1	296908048	OUSFFRGJMFWIAE-UHFFFAOYSA-N	316.361	1.905	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cncs1	807261526	CAHKIELSUCPSOV-MRVPVSSYSA-N	309.322	1.511	50	20	DDGD	
COc1ccc(OC)c(/C=C/C(=O)NNC(=O)CC(C)C)c1	298194259	FNWZYJGASFLCNI-VMPITWQZSA-N	306.362	1.911	50	20	DDGD	
Cc1nnsc1CNC(=O)NNC(=O)Cc1ccc(F)cc1	813850430	WWRWGGRVMVIFNO-UHFFFAOYSA-N	323.353	1.059	50	20	DDGD	
CCOc1ccc(NNC(=O)C(=O)Nc2cncc(F)c2)cc1	815816908	SNEQXWAGZXBPBY-UHFFFAOYSA-N	318.308	1.701	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNC(=O)CC(F)(F)F)cc1	810179617	UTUOLRJCDWVEFC-UHFFFAOYSA-N	318.251	1.577	50	20	DDGD	
COc1ccc2c(c1OC)OCC2=NNC(=O)c1ccncc1	814681786	CBGMCQPSRLLDPF-UHFFFAOYSA-N	313.313	1.625	50	20	DDGD	
CC[S@@](=O)c1ccccc1C(=O)NNc1ncncc1F	817082406	VKWFJKQDCGQFKE-OAQYLSRUSA-N	308.338	1.500	50	20	DDGD	
CCOC(=O)C[C@H]1CCCCC1=NNC(=O)Cc1cc[nH]n1	814955006	UAZMTAJQEJKKSD-LLVKDONJSA-N	306.366	1.568	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2nc(C)oc2C)c1	814212411	PVRIDUWFYAZIOP-UHFFFAOYSA-N	319.317	1.383	50	20	DDGD	
C[C@H]1CN(Cc2ccccn2)CCC1=NNC(=O)c1ccnnc1	817344088	XRGHHKHQWRXPBX-ZDUSSCGKSA-N	324.388	1.499	50	20	DDGD	
N#CSCCCNC(=O)c1ccccc1CN1CCOCC1	816539650	OKMBXZBXNMQZEI-UHFFFAOYSA-N	319.430	1.853	50	20	DDGD	
O=C1CC[C@@]2(C(=O)NNc3cccc(Cl)n3)SCCN12	817005022	ASCVOONIGSIAOL-LBPRGKRZSA-N	312.782	1.244	50	20	DDGD	
O=C(NN=C1c2ccccc2CC12CCOCC2)c1ccnnc1	817340352	CVKQNMYWDVQFTG-UHFFFAOYSA-N	322.368	1.964	50	20	DDGD	
O=C(NCCc1cn2ccccc2n1)NNc1ncncc1F	814275114	NZEFSMHQOHPXRF-UHFFFAOYSA-N	315.312	1.132	50	20	DDGD	
O=C(CCc1ncccn1)NNC(=O)Nc1ccc(Cl)cc1	813573554	DMRHHRWRMCLUKW-UHFFFAOYSA-N	319.752	1.916	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)c1cccc(C)n1)C(=O)O	818627120	GGRBMDQONDHBEB-UHFFFAOYSA-N	322.365	1.225	50	20	DDGD	
O=C(NN=C1COc2cc(F)ccc21)C(=O)Nc1ccccn1	814869777	VDSJVKPORMOWPD-UHFFFAOYSA-N	314.276	1.072	50	20	DDGD	
O=C(CC1CC1)NN=Cc1cc2c(cc1[N+](=O)[O-])OCCO2	814988915	BTVXOLGHQSCFPZ-UHFFFAOYSA-N	305.290	1.616	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1[N+](=O)[O-])c1cc[nH]n1	814743834	OHQHEQCDVGNLPX-UHFFFAOYSA-N	303.278	1.237	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=S)NCC2CCC2)cc1	727282223	WWIIUSUPNFJTQO-UHFFFAOYSA-N	321.446	1.923	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCCn2cncn2)cc1	727050701	YHICUVWBUDFRNX-ZROIWOOFSA-N	312.329	1.827	50	20	DDGD	
CC(=NNC(=O)C(N)=O)c1sc(-c2ccccc2)nc1C	814695720	NSYRLPDRGKNTMM-UHFFFAOYSA-N	302.359	1.444	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)c2ccccc2O)n1C	814694986	HUQHOEZUXSDAEY-UHFFFAOYSA-N	301.302	1.281	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ncc(C#N)cc2C)cc1	814733492	QZXUYPXXXCWIEB-UHFFFAOYSA-N	324.340	1.410	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1ccc(N2CCCOC2=O)cc1	814908856	GSRYOPTWQOMZKC-UHFFFAOYSA-N	319.361	1.644	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H]1CCCc2sccc21	826923971	YQQSLHIBXMHMRZ-UMNHJUIQSA-N	323.418	1.881	50	20	DDGD	
COC[C@@H](C)NC(=O)NNC(=O)c1cccc(OC(F)F)c1	728695676	HPSYTHWCUMKQJQ-MRVPVSSYSA-N	317.292	1.267	50	20	DDGD	
NC(=O)Nc1ccc(C(=O)NNC(=S)NCC2CCC2)cc1	727866805	AOMYANSYRPKOAO-UHFFFAOYSA-N	321.406	1.086	50	20	DDGD	
CCN(CCO)NC(=O)[C@H](NC(=O)CC(C)C)c1ccccc1	823856693	XRVAYZRJSWERLR-MRXNPFEDSA-N	321.421	1.235	50	20	DDGD	
CN(Cc1cccs1)C(=O)NNC(=O)Cc1cccnc1	728956939	CDRCGIULMNNWTG-UHFFFAOYSA-N	304.375	1.558	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2ccnc(OCCO)c2)n1	825863690	HUJXPFIQVHBCJB-UHFFFAOYSA-N	318.337	1.008	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCCn2cncn2)cc1	727050700	YHICUVWBUDFRNX-NTEUORMPSA-N	312.329	1.827	50	20	DDGD	
C[C@H](c1cccc(C#N)c1)N(C)CC(=O)NNC(=O)C(C)(C)C	823617713	LJORPZPTGVSMHH-GFCCVEGCSA-N	316.405	1.745	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NN(C)C(=O)OC(C)(C)C)C1CCCC1	496549032	JDHVYGYEHABXLI-GFCCVEGCSA-N	313.398	1.579	50	20	DDGD	
OB(O)c1ccc(CNc2ccccc2CN2CCCC2)o1	585013609	XWFLVPWNVHLLBH-UHFFFAOYSA-N	300.167	1.167	50	20	DDGD	
CO[C@@H](C)CNC(=O)NNc1ncnc(Cl)c1C(C)C	821450102	CKKMKOBVPWTUNI-QMMMGPOBSA-N	301.778	1.914	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1ccc(N)nc1	495588130	KRFSPNNETOHDBZ-UHFFFAOYSA-N	307.354	1.029	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1cc2ccccc2o1	825738294	YZUCDCLMNNUUES-MFKMUULPSA-N	317.345	1.688	50	20	DDGD	
C[C@@H]1CCC[C@@H]1CC(=O)NNC(=O)CNC(=O)OC(C)(C)C	495463590	LXOWKZLDPIBVPC-GHMZBOCLSA-N	313.398	1.485	50	20	DDGD	
COc1cc(Cl)c(Cl)cc1C(=O)NN(C)[C@@H](C)CO	823946214	FVYZRACTJUMJTA-ZETCQYMHSA-N	307.177	1.959	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(Cc1ccc(C#N)cc1)C1CC1	827522158	ZSKZMFMGBHJFQA-UHFFFAOYSA-N	314.389	1.326	50	20	DDGD	
Cc1c(NNC(=O)[C@@](C)(C#N)CC(=O)O)cccc1[N+](=O)[O-]	820949181	CKBZVRRMBVTFGI-CYBMUJFWSA-N	306.278	1.351	50	20	DDGD	
C[C@](O)(CNC(=O)/C(C#N)=C/c1ccc(O)cc1)c1ccco1	490908108	JHPFPHFPEOSTIH-VEMDQMBVSA-N	312.325	1.916	50	20	DDGD	
CCCCSCC(=O)NNc1ccc(-c2nn[nH]n2)cc1	825296291	CBMPBFOBLSIPNR-UHFFFAOYSA-N	306.395	1.843	50	20	DDGD	
C[C@H]1CC[C@@H](CCC(=O)NNc2cccc(-c3nn[nH]n3)c2)O1	824910975	ZSSZXPLZTIBELC-GWCFXTLKSA-N	316.365	1.658	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2CCCC3(C2)OCCO3)C[C@H]1Br	907276649	KNBGQAOIXMUEHN-FOGDFJRCSA-N	318.211	1.962	50	20	DDGD	
CC(C)C(=O)NNC(=O)NC[C@H](C)N(C)Cc1ccccc1	732248213	AXYXJAUBHDFHKI-ZDUSSCGKSA-N	306.410	1.493	50	20	DDGD	
CSCc1ccc(CNCc2ccc(B(O)O)cc2)cc1	585041199	VUWMIZZHTHADJW-UHFFFAOYSA-N	301.220	1.519	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccccc2S(C)(=O)=O)n1C	732303148	WNJJGMUBLPZXEY-UHFFFAOYSA-N	307.375	1.494	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)COc2ccccc2O)c1	730781140	FTFIVYOCXKUCJL-UHFFFAOYSA-N	316.313	1.241	50	20	DDGD	
CCOCC(=O)NN=C1CC2(C1)CN(C(=O)OC(C)(C)C)C2	495650207	HCQXWTZHYMXQNY-UHFFFAOYSA-N	311.382	1.526	50	20	DDGD	
CCC1(C(=O)Nc2cccc(B(O)O)c2)CCC(F)(F)CC1	584911926	OMLFDCIFEKLJBN-UHFFFAOYSA-N	311.137	1.911	50	20	DDGD	
CC(C)(CNC(=O)[C@]1(C)C[C@H]1Br)N1CCOCC1	905210674	RGQRUKHSJLKBOI-ZWNOBZJWSA-N	319.243	1.387	50	20	DDGD	
C#C[C@H](NC(=O)NNc1ccc(OCC)cc1)[C@H]1CCCO1	838557764	BYDXZBNPBCPTCQ-LSDHHAIUSA-N	303.362	1.892	50	20	DDGD	
C#CCN(Cc1ccc(F)cc1)[C@@H](C)C(=O)NNC(=O)CC	491712417	ZMZOJVZXPCKIBE-LBPRGKRZSA-N	305.353	1.207	50	20	DDGD	
C[C@]1(C(=O)N2CC[C@@H](N3CCCC3=O)C2)C[C@H]1Br	907693305	DUWSSZVYZRGXAW-BREBYQMCSA-N	315.211	1.383	50	20	DDGD	
CN(CCNC(=O)[C@@]1(C)C[C@@H]1Br)CC(F)(F)F	906662729	NHZKIBFIFJWAFQ-CBAPKCEASA-N	317.149	1.770	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccnc(Cl)c1Cl	908517044	GRJJZBVCFYAFFQ-MRVPVSSYSA-N	318.160	1.719	50	20	DDGD	
CCN1C[C@H](NC(=O)NNc2cc(F)c(F)cc2F)CC1=O	838672603	FNJUUUQJYHIXAF-SSDOTTSWSA-N	316.283	1.351	50	20	DDGD	
COc1cc(C(=O)NNc2cc(C)ncn2)cc2c1O[C@H](C)C2	734255628	PNARYEODJSELTH-SNVBAGLBSA-N	314.345	1.874	50	20	DDGD	
COC[C@@H](OC)C(=O)NNc1ccccc1OC(F)(F)F	832517850	QUHCFLAUDYOGHL-SNVBAGLBSA-N	308.256	1.690	50	20	DDGD	
C[S@](=O)C1(CNC(=O)[C@]2(C)C[C@@H]2Br)CCC1	907955954	YBYCNOSWDPXSRP-XDBGJTNISA-N	308.241	1.577	50	20	DDGD	
COC(=O)c1cc(C)cc(C(=O)NNC(=O)[C@H]2CCCCO2)c1	837677215	XXPRRNCVZPYSPJ-CYBMUJFWSA-N	320.345	1.112	50	20	DDGD	
CC1(C)CCC(C)(C)N(C(=O)c2cc(B(O)O)ccc2F)C1	585010684	WQUPYZGGUFQVDD-UHFFFAOYSA-N	307.174	1.546	50	20	DDGD	
COCC(COC)NC(=O)NNc1c(C)cccc1Cl	838675628	GQFINYDGDGCLNW-UHFFFAOYSA-N	301.774	1.936	50	20	DDGD	
Cc1csc([C@H](NCc2ccc(B(O)O)cc2F)C2CC2)n1	585027456	UBKBYLYKOAMSRR-CQSZACIVSA-N	320.198	1.511	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)COc1cccc(C)c1	905097759	WHCZITITWNNABG-HOCLYGCPSA-N	318.373	1.502	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1	730579081	ZFISMZAYUQINMS-LLVKDONJSA-N	314.794	1.615	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc(F)cc1SC	832357067	BJPGFDLSZHXTKP-UHFFFAOYSA-N	315.326	1.263	50	20	DDGD	
C[C@]1(C(=O)NC[C@@](C)(O)C(F)(F)F)C[C@H]1Br	907157179	DBMLKNISTZFQDI-MHSYXAOVSA-N	304.106	1.589	50	20	DDGD	
CC1=C(C(=O)NNc2cnnc3ccccc23)C(=O)OC1(C)C	733810958	XRDPTACKZCRIJO-UHFFFAOYSA-N	312.329	1.725	50	20	DDGD	
OB(O)c1ccc(CNCc2cc3c(s2)CCCC3)c(F)c1	585021860	DYLSEOCZJGUVHN-UHFFFAOYSA-N	319.210	1.736	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1	830856739	YTWQGWNNMSCFAW-UVPYHEFZSA-N	319.449	1.712	50	20	DDGD	
CCN(CC(=O)NNC(=O)C1CC1)[C@H](C)c1cccc(OC)c1	733194560	ZRXRHTXWORGTHI-GFCCVEGCSA-N	319.405	1.636	50	20	DDGD	
C[C@@]1(Cc2ccccc2)CCCN1C(=O)c1ccc(B(O)O)cc1	584976478	JNEQHNOSCXQCBQ-IBGZPJMESA-N	323.201	1.604	50	20	DDGD	
N#CC1(Cc2nc(-c3cccc(B(O)O)c3)no2)CCCCC1	585052776	XFJURKFBHUGSKI-UHFFFAOYSA-N	311.150	1.433	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2cccc(C(=O)O)c2)CN1C1CC1	833600551	LSIJQMHLDWDULM-ZWNOBZJWSA-N	318.377	1.636	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)Cn2cnc3ccccc32)c2nccn21	834926303	XUWYAJOESUISTN-LLVKDONJSA-N	308.345	1.718	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CC=C(c3ccc(F)cc3)CC2)o1	585033709	JCLDXQUTJLLNJA-HNNXBMFYSA-N	315.153	1.824	50	20	DDGD	
CC(C)Cc1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cc1	585057422	DNOSZTXYJQZCJH-CYBMUJFWSA-N	311.212	1.123	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)C1CCC1	837340264	JWBPWOQMMQEVNQ-JTQLQIEISA-N	324.402	1.287	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1C	731314856	WMTMNEUJMCOHTA-LLVKDONJSA-N	312.366	1.409	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=Cc2ccc(O)cc2O)cc1	916299965	DZNIVWHUJYNWOQ-UHFFFAOYSA-N	311.297	1.499	50	20	DDGD	
CCOc1cc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)ccc1C	831422557	ZWQBNSCNADLNKN-AAEUAGOBSA-N	321.377	1.971	50	20	DDGD	
Cc1cc(Cl)c(C(=O)NNC(=O)CN2CCCC2=O)cc1C	913732478	YBCCWTJEXLMNNF-UHFFFAOYSA-N	323.780	1.340	50	20	DDGD	
COc1ncnc(N)c1C=NNC(=O)c1ccc(Cl)cc1F	747643828	QQRSDWRCQUMQSZ-UHFFFAOYSA-N	323.715	1.624	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1ccc(O)c([N+](=O)[O-])c1	749613300	XLGZIIXKXLWGMU-UHFFFAOYSA-N	301.262	1.244	50	20	DDGD	
CC(=NNC(=O)C(C)C)c1ccc(OCC(=O)N(C)C)cc1	916327430	LGEUZCPQXQJJAM-UHFFFAOYSA-N	305.378	1.650	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)Nc1ccc2c(c1)OCO2	741854468	MXOMLCQPFCULPA-MRVPVSSYSA-N	310.379	1.714	50	20	DDGD	
CCCC[C@H]1CCCC1=NNC(=O)Cc1cc(O)nc(O)n1	743447530	JQFFMXRRIFFZKY-JTQLQIEISA-N	306.366	1.893	50	20	DDGD	
C[C@@H](CCN(C)C)NC(=O)NN=c1sc2ccccc2n1C	744865314	HALQTIDBLOAOGU-NSHDSACASA-N	321.450	1.695	50	20	DDGD	
Cn1nnc2c1CC[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C2	848311926	KOQUDGGCZDWBMG-FSBNRTBOSA-N	323.356	1.101	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1	910162605	IFINGXSFKYNEMX-SUMWQHHRSA-N	319.405	1.025	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cc(Cl)ccc1-n1cncn1	843897347	VGPFYCVMBHFVFJ-UHFFFAOYSA-N	319.752	1.482	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CCC(C)(C)[N+](=O)[O-])cc1	846375527	DRDKJMDFCCORBP-UHFFFAOYSA-N	323.349	1.681	50	20	DDGD	
C[C@H](CN)CNC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	841963390	RAPOJTGHRYKYKO-SFCYXTAJSA-N	322.453	1.518	50	20	DDGD	
CC(C)n1ncc2ccc(NC(=O)NNC(=O)CCCN)cc21	841090136	GDGYNLOEKUWMDN-UHFFFAOYSA-N	318.381	1.509	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)C(F)(F)Oc2ccccc2)[nH]1	749813840	DYQZNDWOYDYZJQ-UHFFFAOYSA-N	323.255	1.835	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1nc(Cl)ccc1F	843663492	XVMFYBADUJSOJA-RQJHMYQMSA-N	301.705	1.060	50	20	DDGD	
COCC[C@H](C)CNC(=O)NNC(=O)C(C)(C)c1ccccc1	840399469	OMWWHDOHINNHCL-ZDUSSCGKSA-N	321.421	1.967	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(-c2cc[nH]n2)s1	843970544	HTPOKXSSFBUNGV-IUCAKERBSA-N	320.374	1.324	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@@H]2CCN(C(C)C)C2)n1	746756461	WMUBATOTSROEHK-LBPRGKRZSA-N	322.413	1.150	50	20	DDGD	
CCC(=O)NN=C1C(=O)Nc2c(C)cc(Br)cc21	915049714	ZURMXGQUWCFDIR-UHFFFAOYSA-N	310.151	1.940	50	20	DDGD	
N#C/C=C/Cn1nnc(C2(NC(=O)c3ccccc3)CCCC2)n1	840197746	YCWGBLQDBJGSBE-VOTSOKGWSA-N	322.372	1.952	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)N[C@@H]1CCCC[C@H]1F	840441845	SZBNRBXLJLLDQZ-ZIAGYGMSSA-N	323.368	1.814	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CSCc1ccc(Cl)cc1	910180531	LKIYPOXGLNCLRB-JTQLQIEISA-N	302.827	1.917	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H](Br)C(C)(C)C	843979515	OTEIKYWCBATCTQ-DJLDLDEBSA-N	321.215	1.368	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCc2c(F)ccc(F)c21	749621296	GWCXPTVQTDYVJS-VIFPVBQESA-N	312.316	1.783	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)[C@@H]1CCn2ccnc2C1	749262768	NEXZDMACBJMQSE-SNVBAGLBSA-N	324.344	1.238	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)c2cccc3cccnc23)n[nH]1	747424761	KTGDWSRVWWXABT-UHFFFAOYSA-N	323.356	1.985	50	20	DDGD	
O=C(NNC(=O)N1C[C@@H]2[C@H](C1)C2(F)F)c1cc2ccccc2o1	846711992	RQKWFMGGIKKATF-AOOOYVTPSA-N	321.283	1.984	50	20	DDGD	
COCCOc1ccc(C=NNC(=O)Cc2ccncc2)cc1	747646039	LFGHNGWPPQXXOT-UHFFFAOYSA-N	313.357	1.800	50	20	DDGD	
CCN(CC)CCC(=O)NN=C(C)c1cc(C)c(O)c(O)c1	841609802	BVHLYMWJQWASNB-UHFFFAOYSA-N	307.394	1.978	50	20	DDGD	
C[C@@H]1CC[C@@H](CC(=O)NNc2ccccc2S(N)(=O)=O)C1	842261839	OQINRQBNQUHYTI-GHMZBOCLSA-N	311.407	1.603	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(C)C[C@@H]1Cc1ccccc1	846512669	XKTOVNRAVTZEKC-ZQHZRZASSA-N	313.401	1.816	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=Cc1cnc2ncccn12	755752405	FTZZEMIPXUTEMR-UHFFFAOYSA-N	319.328	1.070	50	20	DDGD	
COc1ccc2c(c1)CC(=NNC(=O)Cc1cc(C)[nH]n1)CC2	752724458	ZGJZLLWWCLHBER-UHFFFAOYSA-N	312.373	1.930	50	20	DDGD	
Cc1nnc(CC(=O)NC[C@@]2(C)C[C@H]2Br)s1	857735273	ZGXRFCXGEMBXFZ-GMSGAONNSA-N	304.213	1.679	50	20	DDGD	
CCOc1ccc(C(=O)NN=C(C)c2nccn2C)cc1OC	755566967	PGYROLRGIQYJHG-UHFFFAOYSA-N	316.361	1.981	50	20	DDGD	
O=C(CCCCCc1ccc(O)cc1)NNC(=O)c1cc[nH]n1	857305873	QWYLTUXWIAFOEX-UHFFFAOYSA-N	316.361	1.679	50	20	DDGD	
CCC(=O)NN[C@@H](C(=O)OC)c1ccccc1Br	853074873	FLUJLQYVQNDVPJ-LLVKDONJSA-N	315.167	1.694	50	20	DDGD	
CNC(=O)NN=Cc1cc(OC)c(OC)cc1Br	920376965	BYOPVYSXLKSNAN-UHFFFAOYSA-N	316.155	1.729	50	20	DDGD	
Cc1nnc(CN(C)C(=O)NC[C@]2(C)C[C@@H]2Br)o1	856892308	DSFMTDKPXALUBR-KWQFWETISA-N	317.187	1.693	50	20	DDGD	
N#Cc1cc(O)cc(C(=O)NNC(=S)NCC2CCC2)c1	855089122	CWPPPNFGTJFFKC-UHFFFAOYSA-N	304.375	1.173	50	20	DDGD	
COC(=O)C[C@H]1CCC(=NNC(=O)c2cccc(F)n2)[C@H]1C	853444919	UFESKNRDMXMNDJ-VHSXEESVSA-N	307.325	1.916	50	20	DDGD	
C[C@]1(CNC(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1Br	857399871	STYPCHACRNJCRE-LDYMZIIASA-N	300.156	1.017	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1	756334526	MURIJANRVDNXDK-UHFFFAOYSA-N	316.701	1.437	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)Cc2ccc(F)cc2)ncn1	757764314	QEONBQNNTVWOLY-UHFFFAOYSA-N	319.296	1.020	50	20	DDGD	
Cc1ccc([C@@H](C)CNC(=O)NNC(=O)c2cn[nH]c2)cc1	858705404	ZOHAUDLLGSLZMT-NSHDSACASA-N	301.350	1.466	50	20	DDGD	
OCCOCCN(CCI)C1CCC1	852290860	OWXJJRFAFFQPMZ-UHFFFAOYSA-N	313.179	1.285	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=Cc1cccc(O)c1	853409461	AGBHSEZJXMWXPS-UHFFFAOYSA-N	305.378	1.785	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@H](CO)C2)C[C@@H]1Br	856951563	XOXZNDRBBYKMOR-JBLDHEPKSA-N	305.216	1.574	50	20	DDGD	
CC[C@H](CN1CCCC1)NC(=O)NNC(=O)c1ccccc1	758843661	CDPGULWHQDRDAE-CQSZACIVSA-N	304.394	1.505	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2ccc(Cl)cn2)CN1C1CC1	852195625	IVINOOYZUQHSPG-GXSJLCMTSA-N	309.801	1.986	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1cc(F)cc(F)c1O	757461077	KAEVIICXHPCGJP-UHFFFAOYSA-N	301.293	1.730	50	20	DDGD	
C[C@@H]1[C@H](CO)CCCN1C(=O)NC[C@@]1(C)C[C@H]1Br	856893935	RUPZMFDAVDEKKN-LSCVPOLPSA-N	319.243	1.962	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(C(F)(F)F)c(OC)c1	854928737	MDGZTAMHWMEPHI-UHFFFAOYSA-N	321.324	1.795	50	20	DDGD	
NC(=O)C1(NC[C@H](CBr)C2CC2)CCOCC1	859352726	VBSFOENANBANDR-JTQLQIEISA-N	305.216	1.032	50	20	DDGD	
NC(=O)NC(=O)CCNC(=O)CCCC[C@@H]1CCSS1	758298693	OXEUZNXEIFPPDS-SECBINFHSA-N	319.452	1.402	50	20	DDGD	
O=C(NN=Cc1cccc(Cl)c1)[C@@H]1CN2CCC[C@@H]2CO1	853387388	WTFUMDLFMDKMCM-KGLIPLIRSA-N	307.781	1.653	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)co1	855832344	BGCGZWWVPDGSOT-UHFFFAOYSA-N	309.366	1.292	50	20	DDGD	
Cc1nn(C)c2c1N(S(=O)(=O)CC(C)(C)CCl)CCO2	866952560	FMXOZXIWJIYICG-UHFFFAOYSA-N	321.830	1.522	50	20	DDGD	
CCCNC(=O)NNC(=O)c1sc([C@@H]2CCOC2)nc1C	865023291	AALCTXCUVJKDEC-SECBINFHSA-N	312.395	1.309	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C(F)(F)F	862307675	NQAQOAMFIINYEP-DTWKUNHWSA-N	319.283	1.200	50	20	DDGD	
CCO[C@@H](C(=O)NNc1nnc(-c2ccccn2)s1)C1CC1	861245620	XSJJUMLQBXQYQD-LLVKDONJSA-N	319.390	1.858	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc(CN2CCCCC2)o1	930735194	VJBVVUREBOLKTL-UHFFFAOYSA-N	320.393	1.620	50	20	DDGD	
CCn1cc(C(=O)NNc2ccc(C(F)(F)F)cn2)nn1	935454347	OGODOOUCVGKZDN-UHFFFAOYSA-N	300.244	1.469	50	20	DDGD	
C[C@@H](C(=O)NN[C@@H](C)C(F)(F)F)n1nnnc1C(C)(C)C	862316125	LOYWUKWNSQYJBN-BQBZGAKWSA-N	308.308	1.103	50	20	DDGD	
COCC(=O)NN=C(C)c1cc(Cl)c(OC)cc1OC	761822256	ZINYAGDEVUOVCM-UHFFFAOYSA-N	300.742	1.844	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccc[nH]2)cc2c1O[C@@H](C)C2	761819674	ROQJMHHGNYGLBM-VIFPVBQESA-N	315.329	1.422	50	20	DDGD	
Cc1oc(-c2ccccc2)cc1C(=O)NNC(=O)C(C)(C)O	861206193	RQFYPZHXMUUUON-UHFFFAOYSA-N	302.330	1.787	50	20	DDGD	
CCc1nn(C)c(Cl)c1C(=O)NNC(=O)Cc1cccnc1	767418104	UDLZMLZIUXCFKP-UHFFFAOYSA-N	321.768	1.035	50	20	DDGD	
C[C@@H]1CN(CCCNC(=O)NNc2ccc(F)cc2)CCCO1	764586307	YPVRNBXVYPFQTI-CYBMUJFWSA-N	324.400	1.953	50	20	DDGD	
O=Cc1ccc(CC(=O)NNCC(F)(F)C(F)(F)F)cc1	863103195	OQUVRHRUMSOLBA-UHFFFAOYSA-N	310.222	1.860	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccccc1F)[C@@H]1CCSC1	763334514	HRVZXBWFZKPYCU-SNVBAGLBSA-N	311.382	1.024	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)c2ccccn2)c1C	763468288	WHYVVVVOYNJMJP-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)C3CSC3)cc2C1	864517914	PSGLPQICRVEULB-QMMMGPOBSA-N	310.444	1.997	50	20	DDGD	
CN(Cc1ncc[nH]1)C(=O)NNC(=O)CCOc1ccccc1	868178303	OCZWUBBAYWQSMW-UHFFFAOYSA-N	317.349	1.051	50	20	DDGD	
CCS(=O)(=O)c1cccc(C(=O)NN[C@H](C)C(F)(F)F)c1	862315521	DBKUWJMUPOEZEB-MRVPVSSYSA-N	324.324	1.665	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)C1(F)CCOCC1	865055029	YUDAFYMOUOURQG-UHFFFAOYSA-N	310.325	1.122	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)C(=O)c1ccc(Cl)s1	760050763	LFKFRGIBVCGVCX-UHFFFAOYSA-N	309.734	1.440	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NC[C@H]1CN2CCC[C@@H]2CO1	866675915	TVQJDYOPAFNDEN-NEPJUHHUSA-N	324.874	1.034	50	20	DDGD	
Cc1onc(CO)c1C(=O)N(C)NC(=O)OCc1ccccc1	862288511	NJWOZJLDJCNSLX-UHFFFAOYSA-N	319.317	1.389	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1c[nH]cc1-c1ccccc1	869910291	GNIFEJYEDSPAEO-UHFFFAOYSA-N	317.345	1.106	50	20	DDGD	
CC(C)(C(N)=O)C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	768091356	VAZGNJPMBQMLAH-UHFFFAOYSA-N	314.267	1.532	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(C)cc([N+](=O)[O-])c1N	764470205	QFJGVOZSWHZROV-UHFFFAOYSA-N	318.293	1.041	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2nc(O)c3ccccc3n2)CCC1=O	764581588	SRSOMKXCTBMKHY-NXEZZACHSA-N	314.345	1.784	50	20	DDGD	
O=C1CCC(=NNC(=O)c2nc3ccccc3s2)CCN1	872438208	ZAJAOJHOSYHFJL-UHFFFAOYSA-N	302.359	1.682	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(-n2cccc2)ccc1F	1116584685	JKOKDTFWAAGXRX-UHFFFAOYSA-N	320.324	1.806	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C	875305662	VIUZRNDCUAATSN-GHMZBOCLSA-N	301.387	1.740	50	20	DDGD	
O=C(NNc1cnccn1)c1csc(-c2ncccc2F)n1	768400038	CGUJLLJYSDNURV-UHFFFAOYSA-N	316.321	1.891	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NNc1ncc(F)cn1	760927546	IDLCHUUVYBDAGT-UHFFFAOYSA-N	312.736	1.425	50	20	DDGD	
CC(C)(C)c1csc(NC(=O)C(=O)NNc2cccnn2)n1	1117831335	OFWSZCFCOFSPJT-UHFFFAOYSA-N	320.378	1.312	50	20	DDGD	
CCOC1(C(=O)NNc2nc3ccccc3[nH]2)CCOCC1	870209513	KIWPPYKVHHGJKL-UHFFFAOYSA-N	304.350	1.592	50	20	DDGD	
O=C(CCn1cccn1)NNc1ccnc(Br)c1	771547905	WFVSNIIYCRLABG-UHFFFAOYSA-N	310.155	1.574	50	20	DDGD	
CCOc1cc(Cl)ccc1NC(=O)NNC(=O)CCO	1116596242	OWGBFLYAKQWXGN-UHFFFAOYSA-N	301.730	1.274	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H]2CNC(=O)C[C@@H]2C(F)(F)F)c1	878097115	TZNDUWPJWUXDGH-QWRGUYRKSA-N	315.295	1.753	50	20	DDGD	
O=C(CO)NN=Cc1cc(Cl)ccc1OC[C@@H]1CCCO1	776780884	PPHACKSHUOTQKP-LBPRGKRZSA-N	312.753	1.340	50	20	DDGD	
Cc1ccc(C[C@@H](C)C(=O)NNC(=O)N2CCN(C)CC2)cc1	773673517	PDPZTFFXXQPOJB-CQSZACIVSA-N	318.421	1.162	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C2=C(C)CCC2)cn1	874953445	CGRWUKMJXVMCAZ-UHFFFAOYSA-N	306.391	1.908	50	20	DDGD	
COC(=O)c1cc(NNC(=O)N[C@H]2C[C@H](OC)C2)ccc1F	875903722	MFFKOJAHPRLRPF-MGCOHNPYSA-N	311.313	1.416	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H](O)C1)c1cc2c(s1)CCCCCC2	873808021	WWAOLLYLPNRWLP-TXEJJXNPSA-N	322.430	1.939	50	20	DDGD	
CCC[C@@H](CC)NC(=O)NNc1nc(O)c2cnn(C)c2n1	770363882	LVWZEJFQRROGEC-MRVPVSSYSA-N	307.358	1.274	50	20	DDGD	
COc1cc(NNC(=O)NCc2nnc(C)n2C)ccc1Cl	1116855236	CZPRZOAHEWDHNZ-UHFFFAOYSA-N	324.772	1.612	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@@H]2CCC(=O)N2C)c1	874946427	JESLYMNOBOGMJK-NSHDSACASA-N	324.381	1.073	50	20	DDGD	
Cc1cccc(NNC(=O)c2ccc(C(N)=O)c(Cl)n2)c1	774348644	HOYABWQKUQIMPC-UHFFFAOYSA-N	304.737	1.899	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@]2(C)CCNC2=O)c1	873756250	HDGKAXQKFKQXFV-HNNXBMFYSA-N	320.418	1.147	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C1CCC=CCC1	873751378	REOLLMUACLYGPW-HNNXBMFYSA-N	316.357	1.720	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CC1CCSCC1	772184523	SIVHMLFJCHFDKV-VIFPVBQESA-N	302.396	1.009	50	20	DDGD	
CCCC(=O)N1CCC[C@H]1C(=O)NNc1nccnc1C(C)C	772860539	OCVSCBROKSCRGK-LBPRGKRZSA-N	319.409	1.834	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1cc([N+](=O)[O-])c[nH]1	773627728	XXNLPTKUSHELHZ-UHFFFAOYSA-N	322.252	1.606	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@@H](F)Cc1ccccc1	777983617	XJGPNPIAIKBTAO-AWEZNQCLSA-N	301.321	1.352	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNc1ccc(C(F)(F)F)cn1	775262068	WWZSPLRRSGKITL-ZETCQYMHSA-N	304.272	1.458	50	20	DDGD	
CC(C)OC(=O)C[C@H](NS(=O)(=O)CCCCl)C(C)C	882336745	RJTDFGACNDNZTM-NSHDSACASA-N	313.847	1.901	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H]1CCc2nccn2C1	772876172	HLSVIUIROUDVDJ-LLVKDONJSA-N	300.366	1.502	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](CC)c1ccc(F)cc1	772359593	UOARVCMEWFSLBF-GWCFXTLKSA-N	324.352	1.808	50	20	DDGD	
O=S(=O)(CCCCl)N1CCN(c2cccs2)CC1	881983362	APSGXPDQUZJHAG-UHFFFAOYSA-N	308.856	1.829	50	20	DDGD	
CN(C)C(=O)c1ccc(NC(=O)NNC(=O)C2CC2)c(F)c1	880643353	ADDGKQZWGFUHGI-UHFFFAOYSA-N	308.313	1.090	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H]1CCO[C@@]2(CCSC2)C1	882002115	YTWGEPVMCFSOGQ-MNOVXSKESA-N	313.872	1.589	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@@H]1CCCC12OCCO2	889529290	KJXRPCMENFHWAK-SNVBAGLBSA-N	314.292	1.282	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc(C(F)(F)F)s1	883070468	RKJIUEITDQFJCX-UHFFFAOYSA-N	322.308	1.955	50	20	DDGD	
Cn1nc([C@H]2CCCO2)cc1NC(=O)NNc1ncccn1	788719243	HCUXHFPJRBEEIP-SNVBAGLBSA-N	303.326	1.210	50	20	DDGD	
O=C(NCC[C@@H]1C[C@H]2C=C[C@H]1C2)NNC(=O)c1cccnn1	883711862	YSOJJYHPPRGGSG-SDDRHHMPSA-N	301.350	1.023	50	20	DDGD	
CC(C)[C@H](NS(=O)(=O)CCCCl)C(=O)OC(C)(C)C	881988538	ZJEYKVCEGJQYBW-JTQLQIEISA-N	313.847	1.901	50	20	DDGD	
CCSCCC=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1	781121796	MMEPMOMMSBALDX-MELADBBJSA-N	315.483	1.977	50	20	DDGD	
CC[C@H](C(=O)NNc1ccc(F)cc1OC)N1CCCC1=O	788192676	IPHTWNLHSUSMHK-GFCCVEGCSA-N	309.341	1.678	50	20	DDGD	
CCc1[nH]nc(C(=O)NNc2ncccn2)c1Br	789890753	LCLFQPFRZULAQA-UHFFFAOYSA-N	311.143	1.282	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccccc2S(N)(=O)=O)cc1C	788229344	WDIGIGSUKSCDON-UHFFFAOYSA-N	319.386	1.708	50	20	DDGD	
CCn1cc(CC(=O)NNc2nc(O)c3ccccc3n2)cn1	781950063	GVTQQWVFZJUEFE-UHFFFAOYSA-N	312.333	1.238	50	20	DDGD	
Cn1c(=O)oc2c(C(=O)NNc3ncncc3Cl)cccc21	781834185	QXCCDOYUSZEVNN-UHFFFAOYSA-N	319.708	1.332	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2cc(C)cc(C)c2)ncn1	783359711	XUTYWCGDMWVBHU-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
Cn1nc(Br)cc1C=NNC(=O)c1ccncc1	782097523	KDSLWFDWIYYYGC-UHFFFAOYSA-N	308.139	1.342	50	20	DDGD	
CC[C@@H](C)CC[C@@H](O)CC(=O)NNc1nc(C)cc(OC)n1	793598517	KKYYILAFHYFFFH-ZYHUDNBSSA-N	310.398	1.814	50	20	DDGD	
Cc1cccc(CC(=O)NNC(=O)c2cnn(C)c2)c1Cl	792600282	SLHFWJOEAFBPFY-UHFFFAOYSA-N	306.753	1.386	50	20	DDGD	
COC(=O)[C@@](C)(CO)NCc1ccc(OCCCCl)cc1	894972945	WGRPQCQZGMMJGS-OAHLLOKOSA-N	315.797	1.708	50	20	DDGD	
CC(C)Cc1ncc(NC(=O)NNC(=O)c2cccn2C)cn1	791950707	DNFVPZKTRYIMLU-UHFFFAOYSA-N	316.365	1.480	50	20	DDGD	
Cn1cc2c(n1)CCC[C@H]2C(=O)NNc1ncncc1Cl	798995932	RUMKPNPFRPYTGS-MRVPVSSYSA-N	306.757	1.427	50	20	DDGD	
COC(=O)C[C@H]1CCC(=NNC(=O)Cc2ccncc2)[C@@H]1C	794515228	YZYOXRYNVDSEOX-DGCLKSJQSA-N	303.362	1.706	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCC[C@@H](c2cccnc2)C1	799884914	VRFGCUGSXQSVKO-LLVKDONJSA-N	304.350	1.567	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)C(C)(C)C)C[C@@]2(CCO[C@@H]2C)O1	790508371	IDCBICPBBHHQNX-UEKVPHQBSA-N	313.398	1.042	50	20	DDGD	
CCOC(=O)C1CCN(C(=O)NCCSSC)CC1	790880547	NKXUZPDPGYMKID-UHFFFAOYSA-N	306.453	1.982	50	20	DDGD	
C[C@@]1(C=NNC(=O)CNC(=O)c2cccnc2)CCCS1	793024508	IMPHWUPGPIPIKA-AWEZNQCLSA-N	306.391	1.199	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@H](C)c1nnc2ccccn12	791013119	BQBBEGMPDQNSNN-LLVKDONJSA-N	311.349	1.820	50	20	DDGD	
C[S@](=O)c1ccc(CC(=O)NNc2ncncc2Cl)cc1	797998016	WZEMZBQIAMXYAX-NRFANRHFSA-N	324.793	1.553	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H](O)[C@H](C)c1ccc(C)cc1	798306831	VZNATKCNLPZCSY-YPMHNXCESA-N	307.419	1.141	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNC(=O)c1ccc(OC)cc1	1318531847	PDTUSONEUKQAMI-CQSZACIVSA-N	305.378	1.331	50	20	DDGD	
CCCN1CCC[C@@H]1C(=O)NNC(=O)c1ccccc1Cl	1318113186	JCSZKAFDTAHADG-CYBMUJFWSA-N	309.797	1.975	50	20	DDGD	
CCCCCCN(C)CC(=O)NNc1nncc(N)c1Cl	1319237092	SQHGOCAUYOCIHY-UHFFFAOYSA-N	314.821	1.667	50	20	DDGD	
O=C(Cc1cncs1)NNc1cncc(Br)c1	1320562316	JONXVTBQEOVFSR-UHFFFAOYSA-N	313.180	1.986	50	20	DDGD	
CO[C@]1(C)C[C@@H](N[C@H](C)C(=O)NNC(=O)CC(C)C)C1(C)C	1327999377	FWAXPPOTGQAOBY-XHBSWPGZSA-N	313.442	1.362	50	20	DDGD	
Cc1ccn(CC(=O)NNc2ccc(C(C)(C)C)nn2)c(=O)c1	1322118575	AISXMFJPQKUZJE-UHFFFAOYSA-N	315.377	1.388	50	20	DDGD	
COc1cc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)ccn1	1323068174	IYDBQDKUPUIEOA-UHFFFAOYSA-N	310.313	1.689	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NC[C@H]2CCCOC2)nn1	1322251535	FJKQJARKIZKMJF-LLVKDONJSA-N	307.398	1.827	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)c2ccccc2OC)c(C)n1	1336341154	MIXFATFPBGLASZ-UHFFFAOYSA-N	316.361	1.685	50	20	DDGD	
COC(=O)C(=O)NNC(=O)Nc1cc(Cl)ccc1Cl	1252482799	PGMDQTSMGLVCIM-UHFFFAOYSA-N	306.105	1.319	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)C(=O)c1ccc(Cl)s1	1330841980	RQSOVZUXQIPOOJ-UHFFFAOYSA-N	316.766	1.158	50	20	DDGD	
COC(=O)[C@@H](O)CCNC(=O)CCCC[C@@H]1CCSS1	1264014950	HNMQCROENDKMTF-MNOVXSKESA-N	321.464	1.741	50	20	DDGD	
CS[C@H]1CC[C@@H](NC(=O)NNc2nncc(N)c2Cl)C1	1340525740	CVTKCFLPUZXUMV-RQJHMYQMSA-N	316.818	1.622	50	20	DDGD	
C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNc1cccc2c1CCCC2	1348139470	FOQWXBDRYXYFGX-CXAGYDPISA-N	314.433	1.397	50	20	DDGD	
Cc1cc(C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)on1	1609395527	PKLZOHRTTBTANW-UHFFFAOYSA-N	318.297	1.031	50	20	DDGD	
COCC(=O)N1CCN(C(=O)C2CCC(Cl)CC2)CC1	1527461116	IODBYYNBHGALFK-UHFFFAOYSA-N	302.802	1.101	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1ccc2oc(O)nc2n1	1608482925	OYHVTMVMODRPDF-UHFFFAOYSA-N	314.257	1.384	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(F)c(C(=O)O)c2)ncc1C#N	1600095488	TXRJXAXFHXBNQW-UHFFFAOYSA-N	314.276	1.856	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cc(C(=O)O)ccc2Cl)n[nH]1	1607635514	AHYFZNIFFGZYJL-UHFFFAOYSA-N	320.736	1.763	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)N[C@H]1C[C@H]2C[C@@H](C(=O)O)C[C@@H]12	1601558144	MDIGPASEENKLBM-OYBPUVFXSA-N	324.768	1.860	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1CC(=O)NNc1ccc(C(=O)O)cc1F	1609845494	GROZZLGQXLQCHE-AOOOYVTPSA-N	309.341	1.840	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)CCSCC(=O)O)c1	1608197056	OAGDYYMIUOXHSK-UHFFFAOYSA-N	314.754	1.258	50	20	DDGD	
CCn1nnc(C)c1C(=O)NNc1ccc(C)c(C(=O)O)c1	1605945966	ULYAWWHLXRTEIC-UHFFFAOYSA-N	303.322	1.370	50	20	DDGD	
CC[C@H](OC1CCCC1)C(=O)NNc1ncccc1C(=O)O	1603593790	OJDCYFAOQGAMNJ-LBPRGKRZSA-N	307.350	1.961	50	20	DDGD	
Cc1nocc1C=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccnn1C	1549315942	PLAJGPCWDFVCPX-OCCSQVGLSA-N	317.349	1.335	50	20	DDGD	
CCc1ccc(OCC(=O)NNc2ccc(C(=O)O)cn2)cc1	1610062846	OQRPZBSVSGNKQZ-UHFFFAOYSA-N	315.329	1.864	50	20	DDGD	
CCC(=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Cl)C2	1801623321	ZKEHGLGQDLOLMM-PKIKSRDPSA-N	304.749	1.138	50	20	DDGD	
O=C(NN=C[C@@H]1C[C@@H]1c1ccccc1)[C@@H]1CN2CCC[C@H]2CO1	1549311732	BOMODVFZYUZJCA-NXOAAHMSSA-N	313.401	1.755	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@@H]1C=NNC(=O)c1ccc[nH]1	1552761985	ZSOPWQGTKFIEPZ-YPMHNXCESA-N	301.350	1.725	50	20	DDGD	
COCCN1CCN(C[C@H](CBr)C2CC2)CC1=O	859220794	DUIDOTUVOYCDBZ-LBPRGKRZSA-N	319.243	1.198	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1oc(CN)cc1C	1579805705	YOZMXFTXJZSAOC-UHFFFAOYSA-N	302.334	1.822	50	20	DDGD	
C=C(CBr)COC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)O)O1	1588606383	ZOSIMLJJJSACDU-IWSPIJDZSA-N	307.140	1.359	50	20	DDGD	
C[C@H](CNC(=O)NNc1ncccc1C(=O)O)CC(F)F	1589056225	JUBSISPYXUXNAN-ZETCQYMHSA-N	302.281	1.697	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)c1ccc(-c2cccs2)o1	1580736016	LDNHDPOCQVDFJL-UHFFFAOYSA-N	319.386	1.769	50	20	DDGD	
CC(C)OCC(=O)N1CCCC12CN(C(=O)C(Cl)Cl)C2	1841129388	REEUYZOTXRRGAV-UHFFFAOYSA-N	323.220	1.419	50	20	DDGD	
C[C@@]1(CNCC2(O)CCC(C(=O)O)CC2)C[C@H]1Br	1589246977	OASWJOKZGKDEMO-FYLGKEKYSA-N	320.227	1.755	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccns1	1582561648	ODRVRVRHIQOMHN-UHFFFAOYSA-N	322.741	1.129	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CC1(CC(=O)O)CCCC1	1589831498	AEKQDKRXZNAWNT-UHFFFAOYSA-N	315.439	1.705	50	20	DDGD	
O=C([C@H]1CCOC1)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846389166	KCZUOFVWFGPPOZ-VIFPVBQESA-N	321.204	1.030	50	20	DDGD	
C#CCCC(=O)N1CCCC12CN(C(=O)CO[Si](C)(C)C)C2	1846999696	MESQRBNBHYRMCK-UHFFFAOYSA-N	322.481	1.455	50	20	DDGD	
Cc1[nH]c(C(=O)NNC(=O)CC2CCCC2)c(C)c1C(=O)O	1599952957	BGJWUTCGQJOEIJ-UHFFFAOYSA-N	307.350	1.671	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2ccc[nH]2)ccc1C(=O)O	1599440291	QMXLODRVBBZZAO-UHFFFAOYSA-N	318.289	1.188	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1csc(Cl)n1	1593166936	CWGAHTBGGQQVRA-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
N#C[C@H]1CCCC(=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	1592673544	ZBHUDPJGNUHEPQ-JTQLQIEISA-N	309.333	1.666	50	20	DDGD	
COCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)CCl	1792881128	NMRDIQUJXADVDF-ZSBIGDGJSA-N	316.829	1.536	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	161149338	WNWIOQSEBJFYDM-FXAINCCUSA-N	323.784	1.714	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCc1ccc(F)cc1F	161429452	XOYFNVPLXCKBEB-UHFFFAOYSA-N	315.320	1.264	50	20	DDGD	
Cc1ccc(NNC(=O)c2cn(CC(=O)C(C)(C)C)nn2)cc1	158652816	SKBFKYHLQURRKE-UHFFFAOYSA-N	315.377	1.959	50	20	DDGD	
COC(=O)NNC(=O)c1cc(C)n(Cc2ccccn2)c1C	158880073	RUNCDMSGIBGHOT-UHFFFAOYSA-N	302.334	1.549	50	20	DDGD	
CCC(CC)CNC(=O)NNC(=O)COc1ccc(F)cc1	160591740	GKKJGFTURYJHTD-UHFFFAOYSA-N	311.357	1.971	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](c2ccccc2)C(C)C)[nH]n1	151187086	HJORHXILSUTFNH-AWEZNQCLSA-N	300.362	1.919	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])c(C)c2)[nH]n1	153177698	NXYQGAPIKVZEBG-UHFFFAOYSA-N	303.278	1.010	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)[C@H]1CCCCO1	153540892	YALOBRBPDYYKBG-GFCCVEGCSA-N	311.769	1.740	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccccc1OC1CCCC1	155781378	ATFPKPWEAFIHCF-UHFFFAOYSA-N	320.393	1.722	50	20	DDGD	
CCS[C@@H]1CCC[C@@H]1NS(=O)(=O)CBr	227980756	XEZOYQGHFGWLFS-JGVFFNPUSA-N	302.259	1.932	50	20	DDGD	
CN1CC[C@@H](CNS(=O)(=O)c2ccc(CCCl)cc2)C1	37647865	MXOKJSNFZDCNJR-ZDUSSCGKSA-N	316.854	1.698	50	20	DDGD	
CSCC[C@@H](O)C(=O)N(C)NC(=O)OCc1ccccc1	862290537	ZEARMSHPAYBANP-GFCCVEGCSA-N	312.391	1.400	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CCCc2ccccn2)cc1	104873460	ULBINZRAYDIDTB-UHFFFAOYSA-N	308.341	1.737	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)C(=O)NC)c1C	55958056	LEDRTSUFNHHXFL-DGGAMASNSA-N	316.405	1.673	50	20	DDGD	
O=C(NNc1cnccn1)c1ccc(C(=O)c2cc[nH]c2)cc1	178241276	WDNXKOKSQDVZBL-UHFFFAOYSA-N	307.313	1.793	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cccc(Cl)c1F	178176954	NFCQRMUFELTACJ-UHFFFAOYSA-N	301.705	1.166	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1F)c1ccc(O)cc1O	175824930	UKDGFDLMEUHQTE-UHFFFAOYSA-N	324.695	1.965	50	20	DDGD	
O=C(NCCCN1CCOCC1)NNc1c(F)cccc1F	118563705	NUBBKYTUBWIRIM-UHFFFAOYSA-N	314.336	1.313	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCc2ccccc2F)n1	175188406	TYUHGIJMVSKHKJ-UHFFFAOYSA-N	319.340	1.802	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CN(C)C)c2ccccc12	113427471	QYFMMTWYGPAFTJ-UHFFFAOYSA-N	301.346	1.171	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@H]1C[C@@H]1C1CC1	175874471	XICINSPRPLHUFZ-NEPJUHHUSA-N	303.362	1.301	50	20	DDGD	
NC(=O)[C@H](NNC(=O)Cc1ccc(F)cc1)c1ccc(F)cc1	66938916	AMRBJLQHTGASPS-OAHLLOKOSA-N	319.311	1.355	50	20	DDGD	
CCO[C@H](C)C(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1	60500321	NQXIVLULHVZJQT-LLVKDONJSA-N	324.377	1.668	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)c2cccn2C)o1	67509871	WDTXCJZOXHWUHN-UHFFFAOYSA-N	318.377	1.535	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=O)c2cccnc2)c1C1CC1	119807679	MFDKRDNDMNDQOQ-UHFFFAOYSA-N	313.361	1.640	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)C1(O)CCCC1	303985531	SYCSWNCWSJZJJD-UHFFFAOYSA-N	301.346	1.094	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cnc3onc(C)c3c2)n1	174481068	DYXJKBGMFIYXJT-UHFFFAOYSA-N	314.305	1.395	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H](C)OC[C@@H]2CCCO2)cc1	68754963	PYGHFRKCQJYLEV-WFASDCNBSA-N	320.389	1.594	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)Nc1ccc(C)c(C)c1	122234579	KUNXOTQXYXNYND-UHFFFAOYSA-N	320.393	1.761	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(Br)c[nH]2)no1	302684884	FUCYXPXHDVDYCN-UHFFFAOYSA-N	313.111	1.148	50	20	DDGD	
CC(C)c1cc(C(=O)NN(C)C(N)=O)nn1-c1ccccc1	182658547	PTBBPRZBBYUVLE-UHFFFAOYSA-N	301.350	1.651	50	20	DDGD	
Cc1c([N+](=O)[O-])cc(C(=O)NNc2ccncc2)cc1[N+](=O)[O-]	180534075	FHZGDCDDVPGJLG-UHFFFAOYSA-N	317.261	1.963	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(-c3ncn(C)n3)cc2)nc(C)n1	183866761	MBYJDVOKOOGMKX-UHFFFAOYSA-N	323.360	1.646	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1c[nH]nc1-c1cccc(Cl)c1	129837934	UWZVIJCHKHGKQS-UHFFFAOYSA-N	307.741	1.646	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)N[C@H]1CCc2[nH]ncc2C1	181537656	CSHZVNFJPAPQCT-JTQLQIEISA-N	306.757	1.642	50	20	DDGD	
O=C(NNc1ccc(S(=O)(=O)C(F)(F)F)cc1)NC1CC1	126413715	RBRGKPWMDUVKEJ-UHFFFAOYSA-N	323.296	1.769	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccc(F)cn1	182378210	HWPDEDPMTKLZCY-UHFFFAOYSA-N	303.293	1.233	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NNC(=O)c1ccccc1	74165928	WDWAVSDBFIUWIO-UHFFFAOYSA-N	320.780	1.814	50	20	DDGD	
O=C(C[C@@H]1CCCCO1)NNc1ccc(C(F)(F)F)nn1	124246677	KUZDDSLAIIFFTF-QMMMGPOBSA-N	304.272	1.898	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2nn[nH]c2-c2ccccc2)n1	188954282	WDDZHFBGPZGWJT-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	182117685	FDVSGWRCCFARGF-SNVBAGLBSA-N	309.322	1.419	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNC(=O)NCC(F)(F)F	88255054	OCAMUOQHHOIXCY-UHFFFAOYSA-N	322.287	1.235	50	20	DDGD	
Cc1ccc2cc(C(=O)NNC(=O)Cc3ccncc3)[nH]c2c1	82978115	UHMXANVUQYVNBL-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccc(Br)c(F)c1	192914348	MLHDVUQLDWPTMP-UHFFFAOYSA-N	319.130	1.120	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@H]1CCCN(Cc2ccccc2)C1	194953807	DWDXEQPSWPMYKL-AWEZNQCLSA-N	304.394	1.201	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@@H]2CN(C)C[C@@H]2C1	192509744	DBYBEHDRPODJIK-BETUJISGSA-N	310.829	1.372	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2cnccn2)cc1	42083111	CZTRPBRWHVJXOE-UHFFFAOYSA-N	303.347	1.117	50	20	DDGD	
CCCCOCCCNC(=O)NNC(=O)c1ccccc1O	43039113	UBGFDORIXCZFBR-UHFFFAOYSA-N	309.366	1.543	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1ccnc(F)c1	132256091	QMVVFSKXHBOKEV-UHFFFAOYSA-N	317.320	1.623	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)c2c[nH]c3ccccc23)on1	194684666	CHOFYLSFNKQOBH-UHFFFAOYSA-N	313.317	1.609	50	20	DDGD	
Cc1nn(C(F)F)c(C)c1CC(=O)NNC(=O)c1ccncc1	194543451	QKWAVMJNQPSMSQ-UHFFFAOYSA-N	323.303	1.294	50	20	DDGD	
Cn1ncc2c1CCC[C@@H]2NS(=O)(=O)CCCCCl	228331393	ZODKJVVISLUXNW-NSHDSACASA-N	305.831	1.736	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cc(Cl)sc1Cl	194900532	WRDIZVNAHHRGFI-UHFFFAOYSA-N	324.189	1.742	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	194936563	YRDLWVZCVSCQHY-UHFFFAOYSA-N	307.310	1.085	50	20	DDGD	
Cc1cc(NC(=O)NNc2cnccn2)n(-c2ccccn2)n1	149077308	QGJLKOPQXIZXPG-UHFFFAOYSA-N	310.321	1.514	50	20	DDGD	
CC(C)COc1ccc(CC(=O)NNC(=O)NC2CC2)cc1	264484061	WYAWBUKDYCXMCD-UHFFFAOYSA-N	305.378	1.757	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)N[C@H]1CCSC1	266596469	NSNDNABFXFNGQH-VIFPVBQESA-N	313.354	1.040	50	20	DDGD	
COc1cc(C(=O)N2CC=C(C#N)CC2)cc2c1OCCO2	271015362	FIYWBPAMIJXNJH-UHFFFAOYSA-N	300.314	1.762	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC[C@@H](COC)OC)c1ccccc1	273071672	ZROXCBLVBHPISJ-UONOGXRCSA-N	323.393	1.172	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc2ccccc2c1O	271223410	GQXDOMYKNBCYSS-UHFFFAOYSA-N	317.345	1.526	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C[C@](C)(O)C1CC1	270119411	LSPWHFBPFDESFL-HWPZZCPQSA-N	324.352	1.292	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](CO)COC)cc1	279977283	KUGRWQNQKYBENF-MAUPQMMJSA-N	304.346	1.116	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@]2(C)CCCOC2)cc1	272640568	NQNYYKQBGLEPGQ-KRWDZBQOSA-N	320.389	1.592	50	20	DDGD	
Cc1cc(Cl)c(C(=O)NNC(=O)N2CCN(C)CC2)cc1C	278691664	RGRBPYRPTHNJRB-UHFFFAOYSA-N	324.812	1.559	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)CSc1ccccc1O)C1CC1	270677657	XRTCRZMYGBDSHF-VIFPVBQESA-N	309.391	1.613	50	20	DDGD	
O=C(NNC(=O)[C@]1(O)CCc2ccccc2C1)c1ccccc1	376768683	OKJJJZQCXFMLAF-SFHVURJKSA-N	310.353	1.368	50	20	DDGD	
CN(C)c1ccc(C(=O)NNc2nccnc2C2CCC2)cn1	287292821	UUEJJQAWGWBNBE-UHFFFAOYSA-N	312.377	1.962	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1sc(C)nc1CC(C)C	280897759	DMLHKFSFMWOWCV-UHFFFAOYSA-N	312.464	1.945	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNc1cccc(F)n1	286127271	AXKZPSYKSRUWLH-SECBINFHSA-N	305.357	1.893	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)N[C@H](C1CC1)C(F)(F)F	288654750	ADXFJKYGPLDESX-SECBINFHSA-N	302.256	1.367	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1)C1CC1	288612774	ZPRLJTITIFZXOO-AWEZNQCLSA-N	320.374	1.060	50	20	DDGD	
COCCN(C)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1	288491692	SUIOBNQXJPPDEF-JTQLQIEISA-N	313.379	1.685	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNC(=O)Nc2ccccc2)C1	282857741	SRWMVJAWNLCPOA-NSHDSACASA-N	304.350	1.098	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC[C@@H](CC(C)(C)C(N)=O)C1	296019031	LMVLXKHHHQQKAR-OWRWYXLESA-N	307.394	1.571	50	20	DDGD	
O=C(NCC1CCN(C2CC2)CC1)NNc1ncncc1F	293461113	VPKRUGWOOLTDQZ-UHFFFAOYSA-N	308.361	1.116	50	20	DDGD	
COC(=O)[C@]1(NCCO[Si](C)(C)C(C)(C)C)CCOC1	808741622	KEIDABYCCFHXKY-AWEZNQCLSA-N	303.475	1.930	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)N=c1cc[nH]cc1)c1cccnc1	802031321	DHHLGCCAOONOMW-AWEZNQCLSA-N	313.361	1.491	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C(=O)Nc1nc(C2CC2)cs1	807013311	OBMWZAGBNGLDOZ-UHFFFAOYSA-N	321.337	1.636	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)NCCCc2ccc(O)cc2)O1	297155466	IMAJPAPGNQWHRF-FZMZJTMJSA-N	321.377	1.223	50	20	DDGD	
O=C(C[C@@H]1CCCC[C@H]1O)NNc1ccc2c(=O)[nH]ccc2c1	803432894	MLPHKWUWKYQLOQ-SWLSCSKDSA-N	315.373	1.912	50	20	DDGD	
COc1ccccc1C1(C(=O)NN(C)C(N)=O)CCCCC1	294523167	KGLOHQJWYAUGLD-UHFFFAOYSA-N	305.378	1.939	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])c1	800334937	UZVAJWXHFLOMEH-MWODSPESSA-N	309.322	1.860	50	20	DDGD	
C[C@@H]1CSC[C@@H]1NC(=O)NNC(=O)c1c[nH]c2ccccc12	805788203	BRIVTBVRZXGEEG-RNCFNFMXSA-N	318.402	1.863	50	20	DDGD	
Cc1ccc(C)c(OCCC(=O)NNC(=O)N2CCOCC2)c1	299329021	BMYRVGQZXIKLSP-UHFFFAOYSA-N	321.377	1.145	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCS1)c1cc(C(=O)O)ccc1O	819820125	JDTQQDMSNMSKRL-GFCCVEGCSA-N	308.359	1.826	50	20	DDGD	
Cc1nc(C(C)C)ccc1C(=O)NNC(=O)Cc1cc[nH]n1	815475511	OOKWRURHVDJNTD-UHFFFAOYSA-N	301.350	1.240	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)COc1ccc(C#N)cc1	811630243	DURXRIGGWQPYQO-CYBMUJFWSA-N	314.345	1.098	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H](NC(C)=O)C(C)C)ccc1C	816688012	YWKNOKFEROHLSK-AWEZNQCLSA-N	321.377	1.385	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1O)c1cc(C)n(C)n1	814951009	IOQGYDHNMBECKR-UHFFFAOYSA-N	302.334	1.353	50	20	DDGD	
CC(C)c1[nH]nc(C(=O)NNc2ncncc2F)c1[N+](=O)[O-]	817082500	XTILQNPMMHICJZ-UHFFFAOYSA-N	309.261	1.127	50	20	DDGD	
CS(=O)(=O)c1cccc(Cl)c1C=NNC(=O)CC1CC1	814988764	VQCQYEQIHHGEAB-UHFFFAOYSA-N	314.794	1.994	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@H](O)c1ccc(Cl)cc1	813574454	ZBLIBWJRRLLGQJ-GFCCVEGCSA-N	320.736	1.043	50	20	DDGD	
Cc1cc(Br)ccc1CC(=O)NNc1nc[nH]n1	816632977	HZKCQMLJMSEGHI-UHFFFAOYSA-N	310.155	1.561	50	20	DDGD	
Cc1nnc(CCNC(=O)NNC(=O)c2ccccc2)s1	811853493	CKDWLJUFXAKMPL-UHFFFAOYSA-N	305.363	1.033	50	20	DDGD	
CCCCNC(=O)NN=C(C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	811639533	BZFFFNSDSDAFJF-UHFFFAOYSA-N	317.349	1.040	50	20	DDGD	
Cn1cc(C(=O)NNC(=S)NC2CCC2)c2ccccc21	814192088	OUOCPWBUHMRAMS-UHFFFAOYSA-N	302.403	1.840	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1nc2cc(Cl)ccn2n1	810247477	NAEKPJXZGJNCRT-UHFFFAOYSA-N	322.756	1.726	50	20	DDGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)[C@@H]2CCCO2)cc1	726460858	PCJOLZVRFMVAIZ-ZDUSSCGKSA-N	323.418	1.970	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1nc2c(s1)CCC2	726870932	SFMUZAYRDGTVOP-UHFFFAOYSA-N	303.347	1.493	50	20	DDGD	
CNc1ccc(C(=O)NNc2ncncc2F)cc1[N+](=O)[O-]	817079615	HVTWPGGYVVJMCR-UHFFFAOYSA-N	306.257	1.323	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)CCC1Cc2ccccc2C1	821128224	UOWWVDDBDHATHK-UHFFFAOYSA-N	310.419	1.398	50	20	DDGD	
COc1cc(OC)c(C=NNC(=O)c2ccc[nH]2)c(OC)c1	725854302	KTVYZTJGUKPIJC-UHFFFAOYSA-N	303.318	1.804	50	20	DDGD	
O=C(CCC1CCC1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	822950238	GKTXJHCHNPPOPE-UHFFFAOYSA-N	314.349	1.208	50	20	DDGD	
O=S(=O)(CCl)N[C@@H](CN1CCCC1)c1ccccc1	829892316	BDZYGMGYJFRJHC-ZDUSSCGKSA-N	302.827	1.939	50	20	DDGD	
O=C(/C=C/c1ccc[nH]1)NNC(=O)Cc1c[nH]c2ccccc12	491950642	CLAZICVGIUSKJL-BQYQJAHWSA-N	308.341	1.899	50	20	DDGD	
Cn1cnnc1CCCNC(=O)[C@@H](Br)C(C)(C)C	820163101	BYCHUXLHDDRSDD-SNVBAGLBSA-N	317.231	1.674	50	20	DDGD	
CCCCNC(=O)NNC(=O)CSCC(=O)c1ccccc1	726939776	RCUOSRPOCGAABZ-UHFFFAOYSA-N	323.418	1.733	50	20	DDGD	
CN(NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)C(N)=O	494574427	ZFTFNOKOTAQPGS-UHFFFAOYSA-N	322.365	1.618	50	20	DDGD	
C#CCO[C@@H](C)C(=O)NNC(=S)Nc1cccc(C)c1C	824130264	GOEHXWZCPUMXJH-LBPRGKRZSA-N	305.403	1.659	50	20	DDGD	
O=C(NNC(=O)[C@H](CN1CCCC1)c1ccccc1)C1CCC1	827210712	QQRISAJRFRXGMA-MRXNPFEDSA-N	315.417	1.814	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)/C=C\c3ccsc3)nc21	492233321	SZYMRAARNSAWBY-IHWYPQMZSA-N	316.346	1.287	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@H]1CCN(C(C)(C)C)C1=O	496045450	CTYLCYIJUKXDRG-VIFPVBQESA-N	314.386	1.125	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CC23CCSCC3)nc1	827420767	UKDQRKJXKNFROY-NSHDSACASA-N	321.402	1.845	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(COc2ccc(F)cc2)o1	823842336	QSDNRBSMEXELBI-UHFFFAOYSA-N	322.336	1.957	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@@H]1CCN(c2ccccc2)C1	827473890	ZCMARGTVAMDPTQ-LLVKDONJSA-N	301.325	1.585	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNc1nc2c(C)cccc2s1	828363095	YCCWZYGBXZZLQG-QMMMGPOBSA-N	308.363	1.792	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@]2(C)CCCC[C@H]2O)cn1	491007297	FWNJRKMUGMMNEB-CGMSEXHPSA-N	302.378	1.384	50	20	DDGD	
CCN(CCO)NC(=O)c1cn(CC(C)C)nc1C(F)F	823889120	IZNJQBLCXCWUIL-UHFFFAOYSA-N	304.341	1.436	50	20	DDGD	
Cc1ncc(NC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)cn1	490636260	ARLOBWZAFNNBGF-PQMHYQBVSA-N	306.329	1.849	50	20	DDGD	
CC(C)(C)C(=O)NCCNC(=O)[C@]1(C)C[C@@H]1Br	906483533	BFPYCVYTEPDMJP-QPUJVOFHSA-N	305.216	1.438	50	20	DDGD	
COC(=O)c1cc(NNC(=O)N[C@@H]2CO[C@@H](C)C2)ccc1F	828441136	YLNXKEREOAUFFM-WPRPVWTQSA-N	311.313	1.416	50	20	DDGD	
CC(Cl)(Cl)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	824465987	URTNLJXLFXFZGR-UHFFFAOYSA-N	301.137	1.504	50	20	DDGD	
CCOC(=O)NNC(=O)c1cn(CC(C)C)nc1C(F)F	496990535	LWLKNAGVTRIKGZ-UHFFFAOYSA-N	304.297	1.868	50	20	DDGD	
Cc1cc([C@@H]2CCCN2C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)no1	827272708	BUKJXGREBAZDOX-LOWVWBTDSA-N	322.365	1.286	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccccc1	826009594	CNPPWPZETDMVJH-YUTCNCBUSA-N	305.378	1.893	50	20	DDGD	
O=C(NCCCc1ccc(O)cc1)NNC(=O)C1CCCC1	735761188	KEMRUROUPDIXEJ-UHFFFAOYSA-N	305.378	1.845	50	20	DDGD	
COC(=O)COc1c(C)cc(C=NN(C)C(=O)OC)cc1C	496633227	PMVSSXIEQVRJCU-UHFFFAOYSA-N	308.334	1.887	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C)[C@H]1CCc2ccccc2C1	827821477	OXPXKJNLOMUMSZ-HNNXBMFYSA-N	303.406	1.279	50	20	DDGD	
Cc1cccc(C)c1[C@@H]1CCCN1C(=O)c1cccc(B(O)O)c1	585007156	CXESFQGHBIMKNB-KRWDZBQOSA-N	323.201	1.961	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=C1CCCS(=O)(=O)C1	731924851	QFCDWMGDFMJIPL-UHFFFAOYSA-N	324.402	1.309	50	20	DDGD	
CC(C)CS(=O)(=O)CCC(=O)NN(C)C(=O)OC(C)(C)C	496157125	HMQJKDBUNZSSAK-UHFFFAOYSA-N	322.427	1.345	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(F)c(NC(=O)NC)c1	490941888	MKGRNXDXCDXUJV-CMDGGOBGSA-N	306.297	1.959	50	20	DDGD	
CC1CCN([C@H](C)CNC(=O)/C(C#N)=C/c2cnn(C)c2)CC1	491107570	VUFBWYKFNDYYSD-UVYNJXETSA-N	315.421	1.564	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)[C@H]1C[C@H]2CC[C@H]1O2	733775963	WYWGYAWYQZZZIW-OUAUKWLOSA-N	301.306	1.142	50	20	DDGD	
CN(CC(=O)NCc1ccccc1)C(=O)NNC(=O)C(C)(C)C	738472339	HSYOVYWOOXFTTB-UHFFFAOYSA-N	320.393	1.022	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1cnc2n1CCOC2	905425917	HQZVICXQZKJEJX-UHFFFAOYSA-N	318.764	1.760	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2ccccc2Br)cn1	735412412	ZUJUPVARMRDYAY-UHFFFAOYSA-N	307.151	1.947	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1nccc2sccc12	491368774	YFGKKFUWENLYCK-UHFFFAOYSA-N	308.363	1.876	50	20	DDGD	
CCO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)CCc1ccccc1	836662700	QYPMWRMHHSEKFF-HUUCEWRRSA-N	319.405	1.907	50	20	DDGD	
CN(C)c1cccc(C(=O)NN[C@@H](C(=O)O)c2ccccc2)c1	830643568	KEFKAQBMWHAJRB-OAHLLOKOSA-N	313.357	1.813	50	20	DDGD	
N#Cc1ccc(CN(CC(=O)NNC(=O)C2CC2)C2CC2)cc1	733194572	AHZDQSKAXWFHKA-UHFFFAOYSA-N	312.373	1.080	50	20	DDGD	
CCO[C@@H](C)c1nc(C(=O)Nc2cccc(B(O)O)c2)cs1	584910987	FTBLCMGWVTVYJG-VIFPVBQESA-N	320.179	1.173	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H]1CCOC2(CCC2)C1	901291794	NZHAMJZIVLIBQK-SNVBAGLBSA-N	317.480	1.194	50	20	DDGD	
C[C@@H](C[C@@H](C)N)NC(=O)NNc1ccc2c(=O)[nH]ccc2c1	831217920	ODTFZWYIZQDLES-ZJUUUORDSA-N	303.366	1.280	50	20	DDGD	
COCCC(=NNC(=O)Cc1cc(C)[nH]n1)c1ccc(F)cc1	734745695	AJQBETIELKZGPL-UHFFFAOYSA-N	318.352	1.957	50	20	DDGD	
COCCN(C)NC(=O)c1ccsc1NC(=O)c1ccco1	837622852	LOQYAFUDRFMAIV-UHFFFAOYSA-N	323.374	1.816	50	20	DDGD	
CC(C)(C)Oc1ccc(CNCc2ccccc2B(O)O)cn1	585034063	MRQSAPNXMYHYMH-UHFFFAOYSA-N	314.194	1.229	50	20	DDGD	
CC(C)(CNC(=O)c1cccc(B(O)O)c1)Cc1ccccc1	584952705	WGQGIBVCDGXBFU-UHFFFAOYSA-N	311.190	1.365	50	20	DDGD	
C/C(=C\c1ccc(Br)o1)C(=O)NN(C)C[C@@H](C)O	910181982	GBCAKQTTWRTFJN-BNICOGTQSA-N	317.183	1.789	50	20	DDGD	
COC(=O)c1cc(OC(=O)c2cc(C)nn2C)ccc1[N+](=O)[O-]	732653125	GJPZHYGPWLJLNS-UHFFFAOYSA-N	319.273	1.643	50	20	DDGD	
CN(CC(=O)NNc1ccc(OCC(F)(F)F)cc1)C(=O)O	833692694	UPFUVZMHKOCXIQ-UHFFFAOYSA-N	321.255	1.681	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1CCc2cc(F)ccc21	734296513	MDAQJSCHGWHWSC-GFCCVEGCSA-N	319.380	1.561	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2CCCCO2)c2ccccc21	833235314	AYZNBAIZYPUHGL-UKRRQHHQSA-N	316.357	1.463	50	20	DDGD	
CC/C(C)=C/C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	838037979	OUKIVUTZRGYANE-PKNBQFBNSA-N	304.346	1.656	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(OC2CCOCC2)cc1	742054837	VSALASNVSBRSSZ-UHFFFAOYSA-N	321.377	1.598	50	20	DDGD	
COCC1(C(=O)NNC(=O)CCOc2ccccc2)CCCC1	837378245	QMLAIWIQALGTSY-UHFFFAOYSA-N	320.389	1.810	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CCOCc1ccccc1	918690621	ZQTQDPVWVDRKJT-UHFFFAOYSA-N	309.435	1.887	50	20	DDGD	
C[C@H](COCC1CC1)NC(=O)NNc1ncc(F)cc1F	845590708	VAPTWJKOPXLGHR-MRVPVSSYSA-N	300.309	1.801	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2nccn3ccnc23)n1	747979260	ACZVRNRFQPKUMY-UHFFFAOYSA-N	303.713	1.238	50	20	DDGD	
CC(C)(C)OC(=O)c1ccc(C(=O)NN=c2cc[nH]cc2)nc1	843852124	VBKJHLBRKVDAJG-UHFFFAOYSA-N	314.345	1.611	50	20	DDGD	
CCCNC(=O)NNC(=O)c1c(O)nc2ccccc2c1C	749358189	CELWUJRFYHAJDN-UHFFFAOYSA-N	302.334	1.603	50	20	DDGD	
Cc1cn(-c2c(F)cccc2F)nc1C(=O)NN(C)C[C@H](C)O	910152271	KIHWPHIRGOHOPL-JTQLQIEISA-N	324.331	1.416	50	20	DDGD	
CCCC(=NNC(=O)[C@H](C)NS(C)(=O)=O)[C@H]1CC1(C)C	841623034	DOXJHJVDKIHYMF-VHSXEESVSA-N	303.428	1.243	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)CC[C@@]1(C)CCC(=O)N1	846641944	WLGKLPXBQSFEIQ-OAHLLOKOSA-N	309.341	1.726	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)c2cccc(Cl)c2)CCCNC1	841970609	NQKCWVSDEJPZFR-HNNXBMFYSA-N	324.812	1.674	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccncc1C(F)(F)F	843971043	OISMOWIRUCXZNQ-SFYZADRCSA-N	317.267	1.286	50	20	DDGD	
CCN(CC(=O)NNC(=O)C(C)(C)C)c1ccc(F)c(F)c1	744389282	OXHLYLKVBFZXJL-UHFFFAOYSA-N	313.348	1.985	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H]1CCO[C@H](c2ccccc2)O1	847346384	WDFZNLZAEJQKRR-OCCSQVGLSA-N	306.362	1.684	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ccc2c(c1F)CCNC2	841327438	LADZQCRAXFUKNI-UHFFFAOYSA-N	306.341	1.424	50	20	DDGD	
COC(=O)[C@@H](C)Sc1ccccc1C(=O)NNC(=O)C(C)C	917917361	KDILFOWHZSHGMG-SNVBAGLBSA-N	324.402	1.757	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CSc1nncs1	916736056	CTWGZCYRDWVPQD-UHFFFAOYSA-N	308.388	1.400	50	20	DDGD	
CCC(=NNC(=O)COc1ccc(OC)cc1)c1cnn(C)c1	741805060	JRZUZLKYBBWALM-UHFFFAOYSA-N	316.361	1.738	50	20	DDGD	
C[C@H](CCCCN)NC(=O)NNC(=O)CCCc1ccccc1	841993430	CWVOXMVYZAGTFE-CQSZACIVSA-N	320.437	1.857	50	20	DDGD	
CCn1ccc(C(=O)NNC(=O)COc2cc(C)cc(C)c2)n1	843752631	XAYDOAHVZLBAAY-UHFFFAOYSA-N	316.361	1.360	50	20	DDGD	
O=C(NCc1nc(C2CC2)no1)NNC(=O)c1ccccc1	918237398	NGQAOVFCEWDAPE-UHFFFAOYSA-N	301.306	1.091	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1occc1Br	842556056	RTZDIPBNSOMFDI-JGVFFNPUSA-N	301.140	1.917	50	20	DDGD	
Cn1ccnc(NNC(=O)c2sccc2-n2cccc2)c1=O	747941692	MMPRBDVJTUDGSC-UHFFFAOYSA-N	315.358	1.389	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)cc1	845438517	PCJVEOQHJOEZBX-UPJWGTAASA-N	320.349	1.351	50	20	DDGD	
CC(C)NC(=O)NNC(=O)C[C@H](c1nccn1C)C(F)(F)F	847402201	ZUWXVUSCVMUQJY-MRVPVSSYSA-N	321.303	1.195	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1cnc2c(cnn2C)c1	747522445	KENMVGCEAWGKRJ-UHFFFAOYSA-N	324.344	1.743	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(OCCN(C)C)c(OC)c1	841820144	JHULVIQEKOPNAN-UHFFFAOYSA-N	324.381	1.198	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc([N+](=O)[O-])c(O)c2)n1	748340575	WVVWBMQRGZVDGR-UHFFFAOYSA-N	323.696	1.809	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(F)cc2)[C@H](C)[C@H]1C	842167877	XRBUYNSINQOMCU-GRYCIOLGSA-N	307.369	1.563	50	20	DDGD	
CC(C)COc1ncccc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843649719	WUCCAKDSCIIAAV-NWDGAFQWSA-N	321.377	1.302	50	20	DDGD	
Cc1nn(C)c(C)c1[C@H](C)C(=O)NNC(=O)NCc1ccco1	746842046	UHNDHJQXGFJJRH-VIFPVBQESA-N	319.365	1.264	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccnc(F)c1	745485122	JFXKPNHLDOSIPI-UHFFFAOYSA-N	312.304	1.706	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2ccccc2O1)NC1CCCC1	840294164	SCKFCGBWLCCUPH-CQSZACIVSA-N	303.362	1.653	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2cnnn2CC)o1	841622171	NAGMKLZLGJYSEI-UHFFFAOYSA-N	318.381	1.497	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc(OCCN(C)C)c1	755927077	QJIBWLUBGYJQFY-LBPRGKRZSA-N	322.409	1.826	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CC1	855104343	IHPGCDOSKMEMRF-ZETCQYMHSA-N	323.378	1.084	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccc(C(F)(F)F)[nH]1	855092848	CMVXNWQFTDXQJX-UHFFFAOYSA-N	320.340	1.943	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NN=CC[C@@H]1CCOC1	853376646	UGPGBKFKMWJZHZ-UMVBOHGHSA-N	320.393	1.416	50	20	DDGD	
Cc1ncc2n1C[C@H](C(=O)NNC(=S)N[C@@H](C)C1CC1)CC2	855097458	QOWMOVMJOSLWKP-JOYOIKCWSA-N	321.450	1.048	50	20	DDGD	
C=C[C@@H](O)C(=O)NNC(=O)c1ccc(OCCC(C)C)cc1	854198407	HAZJVSFIHAJSNM-CQSZACIVSA-N	306.362	1.419	50	20	DDGD	
CC(C)[C@H](NC(=O)NNC(=O)OC(C)(C)C)c1cnn(C)c1	927413941	XEHWIAMVTXTIKA-NSHDSACASA-N	311.386	1.856	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccc2c(c1)CCOC2	855093864	JUUPBOKAIAMXQT-UHFFFAOYSA-N	319.430	1.668	50	20	DDGD	
CCc1ccc(C(C)(C)C(=O)NNC(=O)c2cc[nH]n2)cc1	855357629	NLJSHJXQVQOCRW-UHFFFAOYSA-N	300.362	1.711	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cnn(CC(C)C)c1C(F)F	854923348	SFBBMJRHNSFDAP-UHFFFAOYSA-N	319.381	1.558	50	20	DDGD	
CSc1ccc(NC(=O)NNC(=O)c2ccccc2O)nc1	758003931	SMRBBSBLXKWGJB-UHFFFAOYSA-N	318.358	1.976	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCC(O)CC2)cc1)c1cccnc1	853255583	IFLXRZWFVRAULJ-UHFFFAOYSA-N	324.384	1.807	50	20	DDGD	
CC1(C)C(=NNC(=O)CNC(=O)c2ccco2)[C@H]2CCC[C@H]21	853299164	LVCYYLAZWTVDHT-WDEREUQCSA-N	303.362	1.938	50	20	DDGD	
COC[C@@H](C)Oc1ccc(C=NNC(=O)c2c[nH]nc2C)cc1	853309949	ZWGFFJADQXBOTO-LLVKDONJSA-N	316.361	1.896	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)C(C)(C)c1ccccc1)C1CC1	859298107	HSKPLIHUBMMHGD-CQSZACIVSA-N	304.390	1.927	50	20	DDGD	
O=C(NN=Cc1cnc2ccccn12)c1ccc2c(c1)OCCO2	755626820	BQDOGLXCRSEPJZ-UHFFFAOYSA-N	322.324	1.869	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NCC1(C)CC1	753017868	BWRCGNYRIFWNMY-UHFFFAOYSA-N	305.378	1.758	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccccc1)Cc1ccncc1	754045252	CYYKWMJEJGODNQ-UHFFFAOYSA-N	312.373	1.365	50	20	DDGD	
COCCN(C)NC(=O)[C@]1(C(=O)OC(C)(C)C)CC1(C)C	854410524	ZOSWODOGUSMSOG-HNNXBMFYSA-N	300.399	1.354	50	20	DDGD	
CC(C[C@H]1CCCC(=O)N1)=NNC(=O)c1cccc(C(=O)O)c1	853425892	IEEOAGDPAAFSDN-CYBMUJFWSA-N	317.345	1.549	50	20	DDGD	
CN(C/C=C/C(=O)NNc1ncc(Cl)cn1)CC(F)(F)F	857730204	NAGDQEQVKVZRMQ-NSCUHMNNSA-N	323.706	1.623	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCc1cnc2ccccc2c1	854919797	GEVICACWINEAIX-UHFFFAOYSA-N	302.403	1.635	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H](c1ccccn1)C1CC1	925566327	GVIOHECIYJTHOE-SUHUHFCYSA-N	318.377	1.288	50	20	DDGD	
CC[C@@H](CC(=O)NNC(=O)c1cc[nH]n1)c1ccc(OC)cc1	855357863	RYLLTNWIZJMGNB-NSHDSACASA-N	316.361	1.763	50	20	DDGD	
CCOc1ncccc1NC(=O)NNC(=O)CC(F)(F)F	920416561	RVUFLIPJRJQUDK-UHFFFAOYSA-N	306.244	1.585	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc(C)c(C#N)c1	854284835	ACJPHYZVINJTIQ-UHFFFAOYSA-N	320.418	1.354	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1sccc1C	854280590	ZORAQPVTTZXJDO-UHFFFAOYSA-N	301.437	1.544	50	20	DDGD	
Cc1ccc(NNC(=O)c2c(C)c(C)nn(C)c2=O)cc1F	856229907	BCZBQBIATAOHHJ-UHFFFAOYSA-N	304.325	1.602	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)C1CCC1	855825990	QAWJUEQMZRFAKN-NSHDSACASA-N	311.426	1.513	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNc1ncc(Cl)cn1	857355392	CLTVCBSFZULZHU-SNVBAGLBSA-N	311.773	1.364	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCC[C@H]1CCOC1=O	754540979	MFDGJDFBSLIBOC-AUWXEVLLSA-N	301.298	1.796	50	20	DDGD	
CNC[C@H](C)NC(=O)NNC(=O)CSc1ccc(C)cc1	851682063	TXIVBECXVHTOHU-NSHDSACASA-N	310.423	1.025	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)NCC2CCC2)c(O)c1	855093360	NYWGIYOITRLNFL-UHFFFAOYSA-N	309.391	1.310	50	20	DDGD	
Cc1ccc(C(=O)NNC(=S)NC[C@H]2CCCCO2)c(O)c1	758202252	DQPKILFRAGBFQL-LLVKDONJSA-N	323.418	1.379	50	20	DDGD	
O=C(NNc1cccnn1)[C@H]1CCN(C(=O)c2ccccc2)C1	860752323	OVCVHLFAVKBZAY-ZDUSSCGKSA-N	311.345	1.082	50	20	DDGD	
CC(C)CC=NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1	863966765	NRTLCKDDCLECTL-UHFFFAOYSA-N	317.798	1.749	50	20	DDGD	
COc1cccc(C[C@@H](O)C(=O)NNc2cccc(C)n2)c1	862521147	RVUUUPPOUUGQEC-CQSZACIVSA-N	301.346	1.445	50	20	DDGD	
C[C@H](NNC(=O)CCOc1cccc(C(N)=O)c1)C(F)(F)F	862311653	QJANAJXJAWXPGP-QMMMGPOBSA-N	319.283	1.126	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)/C=C\CN1CCOCC1	868336935	IVDPWVHXNBYESA-IHWYPQMZSA-N	320.349	1.235	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@@H]1CSCC(=O)N1	935261088	YCMIDNMCBIMAEJ-LBPRGKRZSA-N	316.386	1.218	50	20	DDGD	
Cc1cccnc1NNC(=O)NC[C@@H](C)CC1(C)OCCO1	868858568	IXLMCJXDFKKHQQ-NSHDSACASA-N	308.382	1.805	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cn(C)nc1C(F)(F)F	930813460	GBTIYXLWBQHKIP-UHFFFAOYSA-N	317.271	1.395	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(C(C)=O)c1	764082034	AHIHZDWOSJKXHU-VIFPVBQESA-N	305.334	1.021	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ncc3n2CCCC3)n1	866293872	GDGKQZGJYWXXOA-UHFFFAOYSA-N	302.338	1.083	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(C)c(N2CCOCC2)c1	865023676	KJSJYEZUSBFZEU-UHFFFAOYSA-N	320.393	1.186	50	20	DDGD	
C[C@H](NNC(=O)C1CCN(CC(F)F)CC1)C(F)(F)F	862317018	IKLFUSVMELKHEF-ZETCQYMHSA-N	303.275	1.535	50	20	DDGD	
C[C@H]1CC(C)(C)CC1=NNC(=O)N[C@H]1CCS(=O)(=O)C1	766015115	YUZSZMLKJIJXFV-UWVGGRQHSA-N	301.412	1.285	50	20	DDGD	
N#Cc1cnn(C(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)c1N	869368323	INHNGIQIGGIJCC-LPBBDHJYSA-N	309.167	1.931	50	20	DDGD	
Cc1ccc(CN2CC[C@@H](NS(=O)(=O)CCl)C2)cc1	867689604	PASRIKPUWXGTFO-CYBMUJFWSA-N	302.827	1.685	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2cc(C)cs2)C(=O)OC1(C)C	862477691	MGBGEKHTOGSTMD-UHFFFAOYSA-N	308.359	1.469	50	20	DDGD	
COCCOC1CCC(C(=O)NN[C@H](C)C(F)(F)F)CC1	862318960	ZZCQCJURIIKXTN-KPPDAEKUSA-N	312.332	1.780	50	20	DDGD	
CS(=O)(=O)CC(=O)NNc1c(Cl)cc(F)cc1Cl	768009207	KYMWQRFEJXCJDD-UHFFFAOYSA-N	315.153	1.620	50	20	DDGD	
COCCC(=NNC(=O)NCc1ccco1)C1CCOCC1	764903690	AHSOYIGJPXKYOH-UHFFFAOYSA-N	309.366	1.898	50	20	DDGD	
CC(CCc1ccccc1)=NNC(=O)CNC(=O)c1cccnc1	763199204	NXLIOWRFUVGFJV-UHFFFAOYSA-N	324.384	1.936	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)C2Cc3ccccc3C2)c1	761705957	GYMZJWFKHGESCG-UHFFFAOYSA-N	305.337	1.734	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=C2CCCC[C@H]2N2CCCCCC2)N1	863149066	QCLNNDLRQLWSFG-LSDHHAIUSA-N	320.437	1.556	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)[C@@H](O)CCc1ccccc1	768453440	ZWEHDWRLVPJUFC-AWEZNQCLSA-N	305.765	1.594	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2oc3c(F)cccc3c2C)n[nH]1	765588925	UFWQDZQRPPJXBF-UHFFFAOYSA-N	316.292	1.987	50	20	DDGD	
CC(C)n1cc2c(n1)[C@H](NC(=O)NNc1ncccn1)CCC2	765923207	LCDKLPDIYISLTH-GFCCVEGCSA-N	315.381	1.958	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CC[C@H](C(C)C)CC1	772214657	AZSHXWYGJJQRCS-JHJVBQTASA-N	312.410	1.938	50	20	DDGD	
COc1cc(C)nc(NNC(=O)/C=C\c2ccc(O)c(O)c2)n1	779531625	OZMUNQDWWWOICO-XQRVVYSFSA-N	316.317	1.361	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNC(=O)NC2CCCC2)cc1O	772513150	WBDHGSHFZSARQU-CLFYSBASSA-N	319.361	1.687	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCc3c(Cl)cccc32)n[nH]1	775790923	KYSNIBJJBYKGJR-LLVKDONJSA-N	318.764	1.863	50	20	DDGD	
CCC(=NNC(=O)COCCOC)c1cc(F)ccc1F	872401992	QGFRHLMTCQAYTG-UHFFFAOYSA-N	300.305	1.858	50	20	DDGD	
CC(=O)N1CCC(NC(=O)NNc2c(C)cccc2F)CC1	771286879	HXGSZSXZZPMDKK-UHFFFAOYSA-N	308.357	1.771	50	20	DDGD	
CC(C)[C@@](C)(O)C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	770208351	HYSLBAQNGYRZFX-MRXNPFEDSA-N	316.361	1.245	50	20	DDGD	
CCCn1cc(C=NNC(=O)[C@H](C)CN2CCCCC2)nn1	872336816	MRKFCGNNSUYUFF-CYBMUJFWSA-N	306.414	1.260	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)COC2CCCC2)cn1	874953588	FLDNDHFCEDLNQB-UHFFFAOYSA-N	324.406	1.367	50	20	DDGD	
CCc1noc(C)c1C(=O)NNC(=S)NCCSC	770245145	AVNWDYWHKWPIFG-UHFFFAOYSA-N	302.425	1.017	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2nnc(C(F)F)s2)n1	775557348	BUQBKHNDZXAMRW-UHFFFAOYSA-N	317.281	1.423	50	20	DDGD	
Cc1nnc2n1C[C@@H](C(=O)OC[C@@H](C)CBr)CC2	770404142	PORVTTSHYKFOTJ-WPRPVWTQSA-N	316.199	1.723	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1cnc2ccccc2n1)C(C)C	774755287	ILZVMNABTGKJPD-CQSZACIVSA-N	301.350	1.234	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1coc(C2CC2)n1	777240061	NSFYXRLRDRVZGC-UHFFFAOYSA-N	320.374	1.800	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)CCN1CCCC1=O	777482896	UFINBWQSLCVKAC-UHFFFAOYSA-N	312.373	1.999	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccccc1OCC#N	770246783	JXJPGAHIATUSQK-UHFFFAOYSA-N	324.431	1.061	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cccc2cnccc12	770239861	KRBWESRMYPDUPH-UHFFFAOYSA-N	320.443	1.707	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CCCOCC2)cc1C	770594928	ANOOLMIDZNCIQO-UHFFFAOYSA-N	303.362	1.915	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCc1ncc(C(C)(C)C)o1	887146667	GNHJZRRYYIRAOA-UHFFFAOYSA-N	305.378	1.856	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCCc1ccc(O)c(F)c1	887148050	LZQCBDPRXKBNOM-UHFFFAOYSA-N	306.337	1.805	50	20	DDGD	
C=C[C@@](C)(CC)C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	785761136	HRFRDCDSIVXXNQ-KRWDZBQOSA-N	318.373	1.902	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)c1cccnn1)c1cccs1	883412738	NJELDLCBRMJJHI-UHFFFAOYSA-N	319.390	1.460	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccccc1[C@@H]1CCC(=O)N1	889176558	XPAAKGFTXDRURH-NSHDSACASA-N	306.322	1.372	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc([S@@](C)(=N)=O)cc1	888464688	BBVCENAWZRDJJK-FQEVSTJZSA-N	300.384	1.337	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)CO1	784157171	QYYJKUVROKQUML-RKDXNWHRSA-N	320.374	1.324	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1ccccc1	785352191	UOKHYXLUGPXOOZ-NASPGAHYSA-N	315.329	1.083	50	20	DDGD	
CN1CCc2ccc(NC(=O)C(=O)NN(C)c3ccccc3)cc21	783431352	DLEWQSGQBLFFOB-UHFFFAOYSA-N	324.384	1.785	50	20	DDGD	
CCN(CC(=O)N(C)C)C(=O)/C(C#N)=C\c1ccc(O)cc1	787322721	JEMXHGDFVFTCHE-LCYFTJDESA-N	301.346	1.236	50	20	DDGD	
CC(=NNC(=O)c1nnc(O)c2ccccc12)c1cc(C)nn1C	788968525	VFMCPFSNWSRFCR-UHFFFAOYSA-N	324.344	1.531	50	20	DDGD	
O=C(CCc1ccc(O)nc1)NN=c1cc[nH]c2ccccc12	787885893	GMZXXDFICCWEHW-UHFFFAOYSA-N	308.341	1.833	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNc2cccc(OC)n2)n1	781024260	WFWGOKMZXNYSKO-UHFFFAOYSA-N	302.290	1.029	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(C(F)(F)F)ccn1	880403159	BERKFTZZQRYQDW-VXNVDRBHSA-N	317.267	1.286	50	20	DDGD	
COc1ccc(NNC(=O)Cc2ccc3c(c2)OCCO3)nc1	781536298	YRDLXMXLVGCBEF-UHFFFAOYSA-N	315.329	1.547	50	20	DDGD	
CCCn1cc(NC(=O)C(=O)NN(C)c2ccccc2)cn1	783434674	UEJRYKQGNOTZHR-UHFFFAOYSA-N	301.350	1.399	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)ncc1Cl)c1ccccn1	780144767	FBBZPZVGAXKUGE-UHFFFAOYSA-N	311.128	1.858	50	20	DDGD	
O=C(NNc1ncncc1Cl)Nc1nnc2ccccn12	782034564	JTBFNXHRTDSSPI-UHFFFAOYSA-N	304.701	1.321	50	20	DDGD	
CN(C)S(=O)(=O)c1cccc(C(=O)NN=CC2(C)CC2)c1	782133535	ZIBODBMRSMCMRE-UHFFFAOYSA-N	309.391	1.453	50	20	DDGD	
O=C(CN1CCc2ccccc2C1=O)NNc1ccc(F)cc1	789887293	DGJXXLSPCLLTJM-UHFFFAOYSA-N	313.332	1.967	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)c2cc(-c3ccccc3)on2)CO1	784144242	ILQMERVZGICTOQ-PWSUYJOCSA-N	315.329	1.528	50	20	DDGD	
O=C(NNc1cncc(Br)c1)[C@@H]1[C@H]2CCCO[C@H]21	1137937815	KRKAMBXAPIPZDY-GMTAPVOTSA-N	312.167	1.712	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@@H]2N(C)CCCC2(C)C)n1	790536887	AGNCZQSVXUHPOJ-LBPRGKRZSA-N	321.425	1.837	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc(-n3cccc3)nc2)n1	794081591	JYGDJLPKOZTDFI-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
CCc1nc(C)c(C(=O)NNc2nc3ccccn3n2)s1	791252845	JGIXHPPMFBULRO-UHFFFAOYSA-N	302.363	1.814	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)C2CCOCC2)c1C	894098137	WQABIQLDXHPUQC-UHFFFAOYSA-N	320.389	1.646	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc2nccnc2cc1F	798124025	DEGJOUSRIUYHEI-UHFFFAOYSA-N	305.338	1.064	50	20	DDGD	
N#CC[C@@H](CC(=O)NNC(=O)c1ccccn1)c1ccccc1	792761793	HKZAJQQRTPMPIF-AWEZNQCLSA-N	308.341	1.930	50	20	DDGD	
CO[C@H](C(=O)NNc1cnnc2ccccc12)c1cnn(C)c1	799100368	PWPHEARPSTWRQQ-AWEZNQCLSA-N	312.333	1.194	50	20	DDGD	
CN1CCN(CCNC(=O)NNc2ccc(F)cc2)CC1(C)C	799681080	CAPCKMGZJOMACD-UHFFFAOYSA-N	323.416	1.478	50	20	DDGD	
Cc1ccncc1[C@@H](C)NC(=O)NNc1nc2ccccn2n1	790451846	LMIIFTGVPGMGSX-LLVKDONJSA-N	311.349	1.820	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(O[C@@H](C)C(=O)O)cc1	794904276	YDBUCHBTTFWIFX-NSHDSACASA-N	323.349	1.208	50	20	DDGD	
COc1ccc(NNC(=O)CCc2ccn(C)n2)c([N+](=O)[O-])c1	794393431	OTDNAIOLQYGESZ-UHFFFAOYSA-N	319.321	1.413	50	20	DDGD	
CCN(Cc1ccncc1)[C@H](C)C(=O)NNC(=O)CC(C)C	1319907013	SKUMLJBZGSUPGB-CYBMUJFWSA-N	306.410	1.486	50	20	DDGD	
O=C(CCl)NCc1ccc(C(=O)N=c2cc[nH]cc2)cc1	1319683101	VRSMZIALKJSTAR-UHFFFAOYSA-N	303.749	1.611	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cn1cnc2ccccc21)n1cccc1	1319601197	FWAHVFBZYZJQNU-GFCCVEGCSA-N	311.345	1.246	50	20	DDGD	
N#CCOc1ccccc1C(=O)NNc1nncc(N)c1Cl	1322680070	ZYFWOFMTIIHHAK-UHFFFAOYSA-N	318.724	1.371	50	20	DDGD	
Cn1nc2ccccc2c1C(=O)NNc1ccc(Cl)nn1	1320717375	JRXOHZMMFVNYKX-UHFFFAOYSA-N	302.725	1.774	50	20	DDGD	
O=C(CO[C@@H]1CCOC1)NNc1cc(C(F)(F)F)ccn1	1324745144	KFCJYBNEQAIUAO-SECBINFHSA-N	305.256	1.349	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)CO[C@@H]2CCOC2)c1	1326662324	SAKFKRLHWDFYLP-CYBMUJFWSA-N	322.365	1.029	50	20	DDGD	
Nc1cnnc(NNC(=O)c2coc(C3CCC3)n2)c1Cl	1255919585	ODVWIWGRLMRCNJ-UHFFFAOYSA-N	308.729	1.725	50	20	DDGD	
CC(C)CN1CCC[C@H]1C(=O)NNC(=O)NCc1ccco1	1335740273	QFFLWMKWQIIASR-ZDUSSCGKSA-N	308.382	1.230	50	20	DDGD	
CCO[C@@H](C(=O)NNc1nncc(N)c1Cl)c1ccccc1	1340556629	WZDVKGDBJNVAFM-GFCCVEGCSA-N	321.768	1.933	50	20	DDGD	
C[C@@]1(Cn2nnnc2N2CCCCC2)C[C@H]1Br	1262471320	LFCIIDNUHKEYTF-KOLCDFICSA-N	300.204	1.837	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1c[nH]cc(Cl)c1=O	1344677429	VDWCERWNLCOWSC-UHFFFAOYSA-N	300.105	1.229	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N2C3CCC2CC3)C[C@@H]1Br	1351190557	IADICJOEKSLOKV-BWIGVGPWSA-N	315.211	1.430	50	20	DDGD	
O=C(O)[C@@]1(C(=O)NNc2nc3ccncc3s2)CC=CCC1	1605935208	CNZBSCWRRQRPIT-AWEZNQCLSA-N	318.358	1.946	50	20	DDGD	
Cc1ccn(CC(=O)NNc2ccc(F)c(C(=O)O)c2)c(=O)c1	1600595093	DZBWVNXLQAJABC-UHFFFAOYSA-N	319.292	1.137	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H](C(=O)NNc2ccc(C(F)(F)F)cn2)O1	1602177178	VDNUKSJTZKPZQX-SFYZADRCSA-N	319.239	1.176	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1cc(C(=O)O)c(F)cc1F	1601553612	NZNFQAZAVFDKCH-UHFFFAOYSA-N	313.260	1.616	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)NC1CCC(C(=O)O)CC1	1601559638	WGKKQKRAWNXGAU-UHFFFAOYSA-N	321.333	1.654	50	20	DDGD	
O=C(Cc1ccc(F)cn1)NNc1ccc(C(=O)O)cc1F	1608361403	ZSUCKBCISCEUMO-UHFFFAOYSA-N	307.256	1.744	50	20	DDGD	
C[C@H](CN1CCCCCC1)C(=O)NN=Cc1ccc(C(=O)O)o1	1609742989	ZUVZKKXQSOCWDU-GFCCVEGCSA-N	321.377	1.940	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)OC[C@@H]2CCCC[C@H]2C(=O)O)cn1	1600946425	MLEBYXGAGFAVKM-RKMSYGEPSA-N	317.345	1.761	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2cccc([N+](=O)[O-])c2)nc1	1608875134	PVJACBICNCATCZ-UHFFFAOYSA-N	302.246	1.445	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@@H](CC(=O)O)C2CCCC2)cn1	1608110725	UYDGOPUEUUJXHI-BLXFFLACSA-N	316.361	1.477	50	20	DDGD	
C[C@@H](Sc1ccccc1C(=O)NNc1ccn(C)n1)C(=O)O	1604455360	FAWPOXKPMLMNAX-SECBINFHSA-N	320.374	1.742	50	20	DDGD	
CCC(Cc1ccccc1)=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549316497	GYXITWGSMHAVHX-DLBZAZTESA-N	315.417	1.975	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccnn1C)c1cnc[nH]1	1549316620	SPZXNJAEAXVQHK-RISCZKNCSA-N	316.365	1.151	50	20	DDGD	
O=C(O)C12CC(C(=O)NNc3nc(-c4ccccc4)no3)(C1)C2	1610730261	IXKHJKQANRTXNO-UHFFFAOYSA-N	314.301	1.435	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@H]2CCCO[C@@H]2c2ccnn2C)CO1	1549315430	NCRZRLTWSPNUDK-OSMZGAPFSA-N	306.366	1.169	50	20	DDGD	
COC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)C)C2	1802272510	BRYHFRGCRLVXCJ-YVECIDJPSA-N	316.829	1.534	50	20	DDGD	
CC(Cc1cccc(C)c1)=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549903631	BAKLGMYAIVTPMH-IRXDYDNUSA-N	315.417	1.893	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C(=O)NN=Cc1ccccn1	1549310161	TUHSUNWFJXSWJN-UONOGXRCSA-N	313.361	1.433	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@H]1C(=O)NCC(Cl)Cl	1552569236	VNKYLKFMTMCSNY-SCZZXKLOSA-N	306.193	1.808	50	20	DDGD	
C[C@H](N)C1(C(=O)NNc2ccc([N+](=O)[O-])cc2)CCOCC1	1576107150	CXUOOJDOYDZESI-JTQLQIEISA-N	308.338	1.182	50	20	DDGD	
CC(C)(C)[C@@H]1C[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1589213793	NJZANLFFCZSYGV-VXGBXAGGSA-N	300.366	1.992	50	20	DDGD	
N[C@H](C(=O)NNC(=O)Cc1ccc(F)cc1)C1CCCCCC1	1580115215	PCNLTQUXBCJMEN-INIZCTEOSA-N	321.396	1.813	50	20	DDGD	
N[C@@H]1CCC[C@H](C(=O)NNc2cc(Br)ncn2)C1	1580378340	KBDQPUSZSVITLM-JGVFFNPUSA-N	314.187	1.200	50	20	DDGD	
CCO/C=C/C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843367057	FPVYWCFYISQLBY-ZPMKCOPCSA-N	304.749	1.274	50	20	DDGD	
C#CCCCC(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843366948	YYYBFFPIDQIKEC-GFCCVEGCSA-N	300.761	1.528	50	20	DDGD	
CC(C)CN1CCC[C@H]1C(=O)NNc1ccc(C(=O)O)cn1	1591364498	FHSFLSTZWATYPB-LBPRGKRZSA-N	306.366	1.343	50	20	DDGD	
C[C@H](S)C(=O)N1CC2(CCCN2C(=O)C(C)(C)CCl)C1	1841227328	FHIAXTKFHSHMKJ-JTQLQIEISA-N	318.870	1.773	50	20	DDGD	
CC[C@H](NC)C(=O)N1CCCC12CN(C(=O)[C@H](Cl)CC)C2	1843005121	JCFAPSUXEZUHEV-NEPJUHHUSA-N	315.845	1.205	50	20	DDGD	
O=C(O)CC[C@@H]1C[C@@H](C(=O)NNc2cc(Cl)ccn2)CO1	1595004861	LDYOJQXHMOTZHQ-PSASIEDQSA-N	313.741	1.448	50	20	DDGD	
CSc1c(C(=O)NNc2ccc(C)c(C(=O)O)c2)cnn1C	1599804373	IVFBDRKRGUSJHX-UHFFFAOYSA-N	320.374	1.906	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1	1592232971	XPIDDMRIOVNEPO-UHFFFAOYSA-N	301.285	1.399	50	20	DDGD	
CNC(=O)NN=Cc1cc(C(=O)O)cc(Br)c1O	1776038762	DNKOKKYQSAWVEK-UHFFFAOYSA-N	316.111	1.116	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=Cc1cccc(OCCC(=O)O)c1	1776101830	AHQMKXVHRXFRBD-ZIAGYGMSSA-N	320.345	1.415	50	20	DDGD	
N#CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(Cl)Cl)C2	1795467030	MJUWBUZRUOSEPD-AYMMMOKOSA-N	304.177	1.342	50	20	DDGD	
CC(C)(C)OC(=O)NNS(=O)(=O)c1cccc(C(=O)O)c1	13345817	XKLBNASFHCUOPC-UHFFFAOYSA-N	316.335	1.103	50	20	DDGD	
Cc1cc(CC(=O)NNC(=S)N[C@@H]2CCCC[C@H]2C)[nH]n1	17514296	QWFDVHLMBLTARS-BXKDBHETSA-N	309.439	1.335	50	20	DDGD	
O=C(NNC(=O)c1nc(Cl)ccc1Cl)c1ccncc1	15628506	GFHOWIHVYCKDRN-UHFFFAOYSA-N	311.128	1.858	50	20	DDGD	
C[C@@H]1CC[C@H](CC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)C1	152605265	XASWBPFFNSYOPP-FRRDWIJNSA-N	302.440	1.305	50	20	DDGD	
CC(=O)Nc1cc(NC(=O)NNc2ncccn2)ccc1C	156084154	GFCQBEMXSHBGED-UHFFFAOYSA-N	300.322	1.892	50	20	DDGD	
Cn1cc(CCC(=O)NNC(=O)c2cccc3ccccc23)cn1	157550641	CXEHQVJTQHRMKF-UHFFFAOYSA-N	322.368	1.967	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1c[nH]nc1-c1ccccc1	156255030	WRMLFHBSAAALSY-UHFFFAOYSA-N	320.316	1.500	50	20	DDGD	
C#CCSCCNC(=O)NNC(=O)CCc1ccccc1	154826251	IZMZVBLUNCZBSZ-UHFFFAOYSA-N	305.403	1.316	50	20	DDGD	
O=S(=O)(NC[C@H]1CC[C@@H](O)C1)c1ccc(CCCl)cc1	236550412	XLBRCTZVRIZLCC-QWHCGFSZSA-N	317.838	1.907	50	20	DDGD	
O=S(=O)(NCCOCC(F)F)c1ccc(CCl)cc1	311376258	LFXLBHOYYWMGSY-UHFFFAOYSA-N	313.753	1.985	50	20	DDGD	
CSSCCNC(=O)N1CCSC[C@H](C(=O)O)C1	1599804771	UOQYPRHDNIUJRU-MRVPVSSYSA-N	310.466	1.457	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NNC(=O)OC)cc1OCC	7927745	LJECWSLKXPTKOX-UHFFFAOYSA-N	318.351	1.033	50	20	DDGD	
CNC(=O)NNC(=O)c1cnn(-c2ccc(C)cc2)c1C(C)C	56377148	NSDFZTKMJGDIHT-UHFFFAOYSA-N	315.377	1.878	50	20	DDGD	
COC(=O)NNC(=O)c1cc(Br)ccc1OC	9695866	NBVBJLOOSZKGJY-UHFFFAOYSA-N	303.112	1.459	50	20	DDGD	
COCCOc1ccccc1C(=O)NNc1ccc(Cl)nn1	118498185	BHUFZLYOAONZNW-UHFFFAOYSA-N	322.752	1.912	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)Cc2cn3ccccc3n2)cc1	173894492	XYDPGRHZNCCYPM-UHFFFAOYSA-N	322.368	1.575	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCc1cc(OC)ccc1OC	178959782	WFGWVFBCYNXXED-ACCUITESSA-N	304.346	1.806	50	20	DDGD	
O=C(COc1ccc2c(c1)CCC2)NNC(=O)NCC1CC1	65197281	VAZSDNWENKGIEN-UHFFFAOYSA-N	303.362	1.295	50	20	DDGD	
CCONC(=O)NNC(=O)c1ccc(Br)s1	171580523	FZFHVGQKUHAXIJ-UHFFFAOYSA-N	308.157	1.406	50	20	DDGD	
Cc1ncccc1C(=O)NNC(=O)c1cc(Br)c[nH]1	108255227	CRRMSQSYVWNQEB-UHFFFAOYSA-N	323.150	1.555	50	20	DDGD	
CCCOc1cccc(C(=O)NNC(=O)c2cnn(C)c2)c1	117682457	QYAMXYYCPQFQGK-UHFFFAOYSA-N	302.334	1.284	50	20	DDGD	
COc1cc(C(=O)NNC(=O)NCC2CC2)cc(OC)c1C	65193633	MKWSLXNLGBBVFY-UHFFFAOYSA-N	307.350	1.366	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn(-c3ccccc3)n2)o1	175839978	NRGGDISMQVEYDM-UHFFFAOYSA-N	311.301	1.244	50	20	DDGD	
Cc1ncsc1CN(C)C(=O)NNC(=O)c1ccccc1	66596172	FCPPGLSRKLLECE-UHFFFAOYSA-N	304.375	1.938	50	20	DDGD	
O=C(NNC(=O)c1cccn1Cc1cccs1)NC1CC1	64900292	ISJHQFIQFUQTFG-UHFFFAOYSA-N	304.375	1.704	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1nc2cc(C)ccc2[nH]1	110103086	YWBHMNNXMRUFMN-SECBINFHSA-N	306.391	1.909	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNC(=O)N1CCOCC1	178648310	LJRGCCHZRDSQQM-MNOVXSKESA-N	309.391	1.233	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@@H](O)c1ccco1	304984338	IZLWXPUFPMNUQW-LLVKDONJSA-N	311.769	1.795	50	20	DDGD	
Cc1cc([C@@](C)(O)CNC(=O)NNC(=O)C(C)(C)C)c(C)o1	176585970	NBWKJJZVJJCWJK-HNNXBMFYSA-N	311.382	1.480	50	20	DDGD	
COc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)c2cccn2C)c1	67785339	HPQKTKGWNORADL-UHFFFAOYSA-N	318.289	1.017	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)OC(C)(C)C)c1-n1cccc1	126554790	WNKBMYSLRJZBOT-UHFFFAOYSA-N	305.338	1.380	50	20	DDGD	
Cc1cccnc1[C@H](NCC(=O)NNC(=O)C1CC1)C(C)C	120788291	BQYQQCATLXPGNR-CQSZACIVSA-N	304.394	1.234	50	20	DDGD	
COc1ccc(F)cc1CC(=O)NNC(=O)NCc1ccco1	186567637	BCMWHCVUFGIHGK-UHFFFAOYSA-N	321.308	1.500	50	20	DDGD	
CCN1CCO[C@@H](C(=O)NNc2nc3ccccc3cc2C)C1	181278084	GRKICKCCJUHPIO-OAHLLOKOSA-N	314.389	1.707	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H]2COc3cc(C)c(C)cc32)n1	184377742	BTQBHRHKABGVFS-GFCCVEGCSA-N	314.345	1.721	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc3scnc3c2)[nH]n1	184727729	IBQLOFLUBVYEGR-UHFFFAOYSA-N	316.346	1.794	50	20	DDGD	
CCC1(CC)[C@@H](NC(=O)NNC(=O)c2ccc[nH]2)C[C@H]1OC	123747307	QQBVJYUXDZIKGO-NWDGAFQWSA-N	308.382	1.552	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Cc1csc(-c2ccccc2)n1	75653349	FRKSBKSIPMDCSN-UHFFFAOYSA-N	318.402	1.062	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1nc(-c2ccco2)oc1C	124956712	BOKAWSRHXDLEPU-UHFFFAOYSA-N	320.349	1.916	50	20	DDGD	
Cn1cnc(-c2ccc(C(=O)NNC(=O)OC(C)(C)C)cc2)n1	182925226	DMJKOHZOWPXZGX-UHFFFAOYSA-N	317.349	1.652	50	20	DDGD	
Cc1ccc(CC(=O)NNc2ccc(C(F)(F)F)nn2)cn1	124273391	XTXDTIFHWSRIBY-UHFFFAOYSA-N	311.267	1.885	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)C2=CCCCCC2)cc1	185206738	LNOZSOYGYNZJQE-UHFFFAOYSA-N	313.357	1.975	50	20	DDGD	
Cn1ncc2c1CCC[C@@H]2NC(=O)NNC(=O)OC(C)(C)C	47002519	PAGGACUEOVXJHC-JTQLQIEISA-N	309.370	1.536	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)c1cc[nH]c1C	130890662	PFUMHTROOMQCHK-UHFFFAOYSA-N	319.386	1.885	50	20	DDGD	
C[C@@H]1CC[C@@H](NC(=O)NNC(=O)Cc2ccncc2)[C@H](C)C1	83227160	VYSDWPNDXHZUHX-YRGRVCCFSA-N	304.394	1.779	50	20	DDGD	
Cc1cc(F)ccc1CCNC(=O)NNC(=O)c1ccc[nH]1	132698461	VGIROUUARZCGLA-UHFFFAOYSA-N	304.325	1.649	50	20	DDGD	
CC(C)Cc1nc(C(=O)NNC(=O)c2ccncc2)cs1	194857314	CPEWPXWFINMJPH-UHFFFAOYSA-N	304.375	1.811	50	20	DDGD	
Cn1cc(CCC(=O)NNC(=O)CCc2ccccc2)cn1	132430659	KICIMHVEUNCPBA-UHFFFAOYSA-N	300.362	1.133	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)N1CCOCC1)c1ccc(F)cc1	194906161	YJLPFOIWFWVTTJ-ZHACJKMWSA-N	307.325	1.302	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)cc1	193783656	QAXDTMJJESNBOP-OLZOCXBDSA-N	305.378	1.460	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C(C)(C)C)C(=O)NCc1ccccc1	98029037	PPAFOUSBHAVPLF-LLVKDONJSA-N	320.393	1.068	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1nccnc1Cl	269881055	YVEXQBVHJLMFEO-UHFFFAOYSA-N	301.734	1.099	50	20	DDGD	
O=C(NCCOc1ccc(Cl)cc1)NNC(=O)C1CCC1	264711194	JGQJDPBZJIKPOH-UHFFFAOYSA-N	311.769	1.849	50	20	DDGD	
COc1ccc(NNC(=O)CC2(CS(C)(=O)=O)CC2)cc1	266980616	DDQSUUCUNDMBNS-UHFFFAOYSA-N	312.391	1.353	50	20	DDGD	
CSc1nc(C(=O)NNC(=O)C2CCC2)c2ccccn12	264822923	XTWORHFINCFQEK-UHFFFAOYSA-N	304.375	1.617	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1cc(F)cc(OC)c1)C(C)C	268293955	KJIONIDKPJECDO-LBPRGKRZSA-N	313.329	1.658	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@](C)(OC)c2ccccc2)n1	266932271	NUURYJMJTPLCFI-MRXNPFEDSA-N	316.361	1.799	50	20	DDGD	
C[C@@H](NC(=O)NN(C)c1ccccc1)c1nnc2n1CCC2	264539404	MXSZLYKIGWUNBW-LLVKDONJSA-N	300.366	1.636	50	20	DDGD	
CO[C@]1(C)CCCN(C(=O)NNC(=O)c2ccccc2C)C1	279643715	LZSXPFDRPLFOGM-MRXNPFEDSA-N	305.378	1.850	50	20	DDGD	
COc1cccc(NNC(=O)NCc2sc(C)nc2C)n1	272641285	ZEKSMVAGSJSMPL-UHFFFAOYSA-N	307.379	1.990	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc2c(c1)CCN2C(N)=O	270085505	RUGZQTRFTFTCEI-PKNBQFBNSA-N	300.318	1.510	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccccc1-c1noc(C)n1	365025956	APSPTYJAOIXPOE-UHFFFAOYSA-N	318.337	1.743	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc(OCC(F)(F)F)cn1	278117134	RKVBOKDDMRKBKE-UHFFFAOYSA-N	317.267	1.584	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCO[C@H](C)C2)c1	271963604	HEAZRRZELYIYJA-DGCLKSJQSA-N	317.414	1.801	50	20	DDGD	
Cc1onc(-c2cccnc2)c1C(=O)NNC(=O)CC(C)C	285366074	IBPLFFNYYGEDCT-UHFFFAOYSA-N	302.334	1.852	50	20	DDGD	
O=C(NNc1cccnn1)NC1CCN(c2nccs2)CC1	282134634	GPCRWQMFASDETM-UHFFFAOYSA-N	319.394	1.228	50	20	DDGD	
C[C@H]1OCCN[C@@H]1C(=O)NNc1ccccc1C(F)(F)F	285411416	GSRLZWVBNVQKMK-KCJUWKMLSA-N	303.284	1.525	50	20	DDGD	
O=C(NNc1ccc2c(O)nccc2c1)[C@@]1(O)CCSC1	285781796	SRGCBJCMXPSGBP-CQSZACIVSA-N	305.359	1.252	50	20	DDGD	
CSSCCNC(=O)NNC(=O)c1ccc(C#N)cc1	285530962	UDRZRVVZCHMESI-UHFFFAOYSA-N	310.404	1.513	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)N[C@H](C1CC1)C(F)(F)F	288841779	NRZUQHIJFGIYKJ-SECBINFHSA-N	304.272	1.310	50	20	DDGD	
CC(C)(CCC(=O)NNc1ccc(C(F)(F)F)nn1)[N+](=O)[O-]	296269471	GTPPAXNIEMVKIG-UHFFFAOYSA-N	321.259	1.774	50	20	DDGD	
C[C@@](O)(CCc1ccccc1)C(=O)NNC(=O)[C@H]1CCCCO1	295562512	AAUVZFYQSZZJPW-RHSMWYFYSA-N	320.389	1.087	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)[C@H](NC(N)=O)C(C)(C)C)c1	293975357	RCDSGGHAPQUCMP-LBPRGKRZSA-N	321.381	1.171	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2ccc(Cl)nc2)ccn1	806661593	ABGICQZKMHGHKF-UHFFFAOYSA-N	321.724	1.605	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNC(=O)c1cccc(Cl)c1	806273347	VTALLYIXFYNYOL-UHFFFAOYSA-N	305.721	1.322	50	20	DDGD	
CCCCC(=O)N1CSC[C@@H]1C(=O)NNc1ccncn1	295589669	XCCXFAAOAQLQKT-SNVBAGLBSA-N	309.395	1.011	50	20	DDGD	
Cn1c(NNC(=O)CSC2CC2)nc2ccccc2c1=O	294998947	VNMNVSVLKGWBRA-UHFFFAOYSA-N	304.375	1.272	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NC1CCOCC1	298946449	KMHYLRWFOODIKN-UHFFFAOYSA-N	321.377	1.137	50	20	DDGD	
O=C(CCCOc1ccccc1F)NNC(=O)[C@H]1CCCCO1	295559543	MPGGZSAUFGEYDY-CQSZACIVSA-N	324.352	1.701	50	20	DDGD	
C[C@H]1CC[C@@H](NC(=O)NNc2ccc(-n3ccnc3)nn2)C1	805318795	BJPUZFDCPPYCQA-WDEREUQCSA-N	301.354	1.477	50	20	DDGD	
N[C@@H]1CCC[C@H]1CC(=O)NNc1nc(-c2cccnc2)no1	294126514	PNWHJYOCJCMUEY-GXSJLCMTSA-N	302.338	1.092	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@@](C)(OC)C1CC1	291251007	NWUWMPFTISOUFU-MRXNPFEDSA-N	321.377	1.454	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)CCc1ccccc1O)C1CC1	291662557	JKHWDMSTKFLCMA-INIZCTEOSA-N	306.362	1.287	50	20	DDGD	
CCC[C@@H]1C[C@@H](C(=O)NNC(=O)N=c2cc[nH]cc2)CCO1	802035321	FDFUDLVTKSKJFO-WCQYABFASA-N	306.366	1.252	50	20	DDGD	
Cc1ccccc1NNC(=O)C(=O)Nc1cccc2c1CNC2=O	806997897	BJGNVSBGIZLCGN-UHFFFAOYSA-N	324.340	1.320	50	20	DDGD	
Cc1cc(NNC(=O)c2[nH]nnc2-c2ccccc2)nc(C)n1	801621304	GJUKIJZVXZNREM-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
C[C@H](C(=O)NNc1ncccc1[N+](=O)[O-])N(C)CC(F)(F)F	807060942	IOQDGJAZGNFWAI-SSDOTTSWSA-N	321.259	1.316	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cc(F)cc(OC)c2)n1C	815857465	FATTXPFMLUVWCI-UHFFFAOYSA-N	321.308	1.716	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cccc(C#N)n2)cc1	810196220	XAIIPOIWUBRRTD-UHFFFAOYSA-N	324.340	1.356	50	20	DDGD	
Cc1ccc([C@@H](C)[C@H](O)C(=O)NNc2ncncc2F)cc1	817068087	WLBNCXPUTDAPDL-MFKMUULPSA-N	304.325	1.532	50	20	DDGD	
Cn1cncc1CNC(=O)NNc1ccc(OC(F)F)cc1	812489494	SXBAWDQZNGCXFY-UHFFFAOYSA-N	311.292	1.848	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@](C)(O)C2CCC2)cc1OC	813364030	CRGYDLWULATBSE-INIZCTEOSA-N	322.361	1.016	50	20	DDGD	
CNc1nccc(C(=O)NNc2nc(C)cc(C)n2)c1[N+](=O)[O-]	816836869	CUHXYZQJGSFKJP-UHFFFAOYSA-N	317.309	1.195	50	20	DDGD	
Cn1c(NNC(=O)c2ccc(C(N)=O)s2)nc2ccccc21	816578235	RRQZKCZBEPYQGG-UHFFFAOYSA-N	315.358	1.491	50	20	DDGD	
CN(C)Cc1c(C(=O)NNc2cnnn2C)oc2ccccc12	816769300	BIERTLNJBJQRNU-UHFFFAOYSA-N	314.349	1.380	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@]2(C)CC2(F)F)c1O	817711357	ZSLLTWVJYIDBSP-LBPRGKRZSA-N	300.261	1.207	50	20	DDGD	
Cc1ccc(-n2nnc(C(=O)NNC(=O)CC3CC3)c2C)cc1	819132020	VWCAEIJFLSKFMJ-UHFFFAOYSA-N	313.361	1.445	50	20	DDGD	
Cc1nnsc1CNC(=O)NNc1cccc([N+](=O)[O-])c1	813849922	SBSRMXLBTRMNLG-UHFFFAOYSA-N	308.323	1.581	50	20	DDGD	
COc1nc2sccn2c1C=NNC(=O)Cc1cccnc1	728784938	YAXWTXDDZMRWPM-UHFFFAOYSA-N	315.358	1.492	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)Nc1cc(N(C)C)ncn1	810221218	CFOJNSABDBDLBV-UHFFFAOYSA-N	316.369	1.605	50	20	DDGD	
O=C(CCc1ccncc1)NNc1nc(-c2cccnc2)no1	728076424	CSTWYMPJMOATIR-UHFFFAOYSA-N	310.317	1.603	50	20	DDGD	
CCn1nccc1CNC(=O)NNc1cccc(C(=O)OC)c1	824342773	NJVWXMOEMHFFIP-UHFFFAOYSA-N	317.349	1.516	50	20	DDGD	
O=C(/C=C/C1CCOCC1)NNc1cccc(-c2nn[nH]n2)c1	826400043	NOSQDEUKYVAPLQ-SNAWJCMRSA-N	314.349	1.293	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@@H]1C[C@H]1C1CCCCC1	826866613	BKKKUPDHHABTNQ-MHEUCROKSA-N	323.437	1.958	50	20	DDGD	
CN1C[C@@H](COC(=O)/C(C#N)=C/c2ccc(O)cc2)OC1=O	495663467	CSOUPTIKBMJCIH-VKUYVZBCSA-N	302.286	1.293	50	20	DDGD	
CCSCc1cccc(NC(=O)C(=O)NNC(=O)OC)c1	495449463	XGQBBDAZUDRLRZ-UHFFFAOYSA-N	311.363	1.265	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1n[nH]c(C2CC2)c1Br	823965898	VHAFDXNKPYCBBM-ZCFIWIBFSA-N	317.187	1.007	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNc1ccc(CC(=O)OC)cc1	820667559	YJQPFINHRUTENX-CYBMUJFWSA-N	303.362	1.830	50	20	DDGD	
O=C(NN=Cc1ccc(-c2nn[nH]n2)o1)c1ccc(Cl)nc1	823273220	IUQTYWXLMGVGIH-UHFFFAOYSA-N	317.696	1.272	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H]1CC12CCOCC2	822727593	DNFUOWLOXQXWEA-JTQLQIEISA-N	322.336	1.872	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC(c2cccc(F)c2)CC1	827991195	OBONXVYSXDRRFO-UHFFFAOYSA-N	321.396	1.809	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C[C@@H]1CC[C@H]2C[C@@H]12	822194845	WKUFPZODXFCCPT-RWMBFGLXSA-N	318.373	1.658	50	20	DDGD	
CC(=O)NC[C@H](CC(=O)NNC(=O)c1cccnc1)CC(C)C	822157437	XUMXFRQVQKMSMB-ZDUSSCGKSA-N	320.393	1.031	50	20	DDGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)N1CCCC1)OCO2	490878581	OQAAUOYSHDABPD-SDQBBNPISA-N	300.314	1.953	50	20	DDGD	
CCN1CCC[C@@H](CNC(=O)/C(C#N)=C\c2cnn(C)c2)C1	491132299	NJOPGXRCNUWKFV-XKBFBRDOSA-N	301.394	1.175	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NC1(CO)CCSCC1	491008415	HXQWBKXWNGTMOB-UKTHLTGXSA-N	318.398	1.673	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H](C)Cc1ccsc1	825747932	DUIGZMAAQPFNBY-SCVCMEIPSA-N	311.407	1.435	50	20	DDGD	
CO[C@@H]1COC[C@H]1NC(=O)NNc1ccccc1C(F)(F)F	827914111	XJAHJQJKUFPXFJ-GHMZBOCLSA-N	319.283	1.745	50	20	DDGD	
Cc1nc2ccccc2c(C)c1CC(=O)NN(C)[C@@H](C)CO	823965985	XAOPJXSMSGHEBZ-NSHDSACASA-N	301.390	1.738	50	20	DDGD	
C[C@@]1(C(=O)N2CCN(C(=O)C3CC3)CC2)C[C@H]1Br	905263573	QUBFKMNFPHDPMD-ZWNOBZJWSA-N	315.211	1.241	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@H]2CCCCN2C2CC2)cn1	491136398	VLVWKWIUIUAHDG-WPMUKRGUSA-N	313.405	1.460	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(C#N)cc1C(F)(F)F)N(C)C	822689491	DOOFXKZFWYURIT-MRVPVSSYSA-N	300.284	1.970	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCCc3c(O)cccc32)c(F)c1	585037590	CRQQPEVSOAIWRG-MRXNPFEDSA-N	315.153	1.378	50	20	DDGD	
O=C(O)c1cc(C=NNC(=O)N2CCOCC2)sc1Cl	901179513	IYWGJADDCVNABK-UHFFFAOYSA-N	317.754	1.475	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=C(C)[C@@H](C)OC	497213188	HYYWDAOSDBXISW-VXGBXAGGSA-N	311.382	1.430	50	20	DDGD	
CC(=NNC(=O)COCc1ccccc1)c1csc(N)n1	737438859	LZVBJFDSXZYGCD-UHFFFAOYSA-N	304.375	1.782	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N=S(C)(C)=O)c1C	824462586	RMTHJTALYYZBQX-NTEUORMPSA-N	323.418	1.913	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(C)s1	730577365	RIAXMZOKRVNSRF-JTQLQIEISA-N	300.405	1.331	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1cc(-c2nn[nH]n2)cs1	823280600	CSTPHTUBELKOEP-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
COC(OC)C(=O)NNc1cc(F)ccc1Br	823599682	KTEKLCOHDPDLDR-UHFFFAOYSA-N	307.119	1.650	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1CCC[C@H]1C(C)(C)C	826973986	HHAZFEPJOVWLJF-RVMXOQNASA-N	311.426	1.957	50	20	DDGD	
CC(C)[C@H](Cc1ccc(F)cc1)NCc1ccc(B(O)O)o1	585026805	KHJBRWDBTMRPHB-HNNXBMFYSA-N	305.158	1.455	50	20	DDGD	
COC(=O)c1ccc(CCC(=O)NNC(=O)C2CCCC2)cc1	731574431	WVFKCMKLDHXYNI-UHFFFAOYSA-N	318.373	1.743	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CC[C@@](F)(C(=O)O)C1	909306228	FHXOPQGEYQTBOC-HQJQHLMTSA-N	310.163	1.821	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cc2c(nc1O)CCCC2	731808155	HXUREJRRCPCYCH-UHFFFAOYSA-N	317.267	1.379	50	20	DDGD	
CC(C)[C@H]1CCC[C@H](NC(=O)c2cc(B(O)O)ccc2F)C1	584942188	JQQAIPPGHWXZKH-AAEUAGOBSA-N	307.174	1.450	50	20	DDGD	
CCN(CC)CCOCCNC(=O)[C@@]1(C)C[C@H]1Br	907351621	GHONYCJNLUBXRV-YPMHNXCESA-N	321.259	1.635	50	20	DDGD	
CCc1ccccc1-n1cc(C(=O)NNC(=O)C2CCC2)nn1	839680964	POXRPSFOGJRKCU-UHFFFAOYSA-N	313.361	1.391	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ncc(C2CCOCC2)s1	836727351	PXBMMFFYKFLBKJ-UHFFFAOYSA-N	312.395	1.846	50	20	DDGD	
C[C@]1(C(=O)NC[C@@H]2COC3(CCCC3)O2)C[C@@H]1Br	907214500	OYOXRPYRFMLMJN-SCVCMEIPSA-N	318.211	1.962	50	20	DDGD	
O=C(NCB(O)O)C1(c2ccc(Cl)cc2Cl)CCCC1	585067598	SYKXJIQBUMDYKF-UHFFFAOYSA-N	315.993	1.933	50	20	DDGD	
COCC(COC)NC(=O)NNc1cccc([N+](=O)[O-])c1C	838677487	MOFLMUPFKSGHMC-UHFFFAOYSA-N	312.326	1.191	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNc2cccc(C(=O)O)c2)c(O)n1	833754851	LVMVIVOFIDXGAX-UHFFFAOYSA-N	316.317	1.183	50	20	DDGD	
COc1ccc2c(c1)CN(C(=O)NNC(=O)C(C)(C)C)CCO2	836292877	WAGVJCCICIQYIG-UHFFFAOYSA-N	321.377	1.677	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)NNC(=O)c1ncon1	832825681	DKJFGMWEFPCCHD-MRVPVSSYSA-N	316.408	1.545	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H]2C[C@@H](C)n3ccnc32)n1	836630230	ZFEAJARAGLKVDG-ZJUUUORDSA-N	302.338	1.619	50	20	DDGD	
CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)c1cccc2cccnc12	900441704	NAIVLDMRKRWICL-ZWNOBZJWSA-N	301.346	1.403	50	20	DDGD	
Cc1cccc([C@@H]2C[C@H]2[C@H](C)NC(=O)c2ccc(B(O)O)cc2)c1	584934048	OCULVRORUJWARE-KKXDTOCCSA-N	323.201	1.597	50	20	DDGD	
CC(C)COC[C@H](NCc1ccccc1B(O)O)c1ccco1	585021001	NQLWCFSXFKRRPX-INIZCTEOSA-N	317.194	1.463	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@@]1(C(=O)O)CCSC1	909349074	WRTYQVQBDCHOFQ-CPCISQLKSA-N	324.240	1.873	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CCCN2C2CC2)cc1F	837058901	OVCQWILUSNLCSA-AWEZNQCLSA-N	321.352	1.682	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCC(=NNC(=O)[C@H]2CCCCO2)C1	834985881	LAGXKDLNIMCNTM-VXGBXAGGSA-N	302.396	1.015	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2CCCc3nc(C)ncc32)nn1	734953865	LBFHQXQASNSXBJ-ZDUSSCGKSA-N	313.365	1.587	50	20	DDGD	
O=C(N[C@H]1CCC[C@H](c2ccccc2)C1)c1cccc(B(O)O)c1	584980527	BTNAQLHUOZJFRT-YJBOKZPZSA-N	323.201	1.823	50	20	DDGD	
CO[C@@H]1COCC[C@H]1CNC(=O)NNc1cccc(F)c1F	838659025	MXNKMCYTQQRMJY-JOYOIKCWSA-N	315.320	1.642	50	20	DDGD	
O=C(NNS(=O)(=O)c1cccc2ccoc12)[C@H]1CCCCO1	830037683	URRGRVYUQYSULA-LLVKDONJSA-N	324.358	1.311	50	20	DDGD	
OCC[C@@H](NCc1ccc(B(O)O)cc1)c1ccc(Cl)cc1	585040410	KCPYTPCHEBUHOF-MRXNPFEDSA-N	319.597	1.233	50	20	DDGD	
OB(O)c1ccc(CNCCCOCCc2ccccc2)cc1	585017532	ZDTJEEFZYDSCLX-UHFFFAOYSA-N	313.206	1.105	50	20	DDGD	
COc1c(F)cc(NC(=O)NNC(=O)C(C)C)c(OC)c1F	836737060	IMCSFERCUIJCNI-UHFFFAOYSA-N	317.292	1.791	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccnc(Br)c1	836694280	GPRNLTVCEHRKJS-UHFFFAOYSA-N	313.155	1.797	50	20	DDGD	
Cc1cccc(C(=O)NNc2ccccc2S(C)(=O)=O)n1	732302424	YREAUTSSBMSAAU-UHFFFAOYSA-N	305.359	1.550	50	20	DDGD	
O=C(COc1ccc(F)cc1F)NNC(=O)[C@@H]1CCCCO1	833257609	XGMXTUVZBRTZFV-LBPRGKRZSA-N	314.288	1.060	50	20	DDGD	
CCC[C@@H](CNC(=O)NNc1ccc2c(=O)[nH]ccc2c1)OC	838639582	FKRQBNQIJFCMBB-ZDUSSCGKSA-N	318.377	1.969	50	20	DDGD	
C[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H](c2ccco2)C1	584954208	JMNUZKMCTUAAHQ-DOMZBBRYSA-N	313.162	1.573	50	20	DDGD	
O=C(NC[C@@H]1CCCSC1)NNC(=O)[C@@H]1CCCCO1	836460697	YQOSPBZRULXPDD-QWRGUYRKSA-N	301.412	1.029	50	20	DDGD	
CO[C@@H]1CCN(CC(=O)NNC(=O)c2ccc(C)cc2)C[C@@H]1C	831529384	XSIZUJTXDCZSBE-DZGCQCFKSA-N	319.405	1.113	50	20	DDGD	
CC(C)N(CC(=O)NNc1cnccn1)C(=O)OC(C)(C)C	832395382	JDLRFSSJZBQAQE-UHFFFAOYSA-N	309.370	1.565	50	20	DDGD	
CCCNC(=O)Nc1ccc(CC(=O)NN(C)C[C@@H](C)O)cc1	910165298	JPBOVMGDIQVLQE-GFCCVEGCSA-N	322.409	1.104	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)C(=O)NNC(=O)c1ccc(Cl)cc1	837306766	IKJZKLWPMMBCRL-JTQLQIEISA-N	320.780	1.713	50	20	DDGD	
Cn1cccc1CNC(=O)NNC(=O)c1cc2ccccc2o1	749579890	LJUZNYJVTVOGJW-UHFFFAOYSA-N	312.329	1.916	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C(C)(C)OC(C)=O)cc1F	837059432	VAXXNVUGWMPLDI-UHFFFAOYSA-N	312.297	1.397	50	20	DDGD	
O=C1CCCN1C[C@H](NS(=O)(=O)CCl)c1ccccc1	830018109	FBTVAOJAFMHZNZ-LBPRGKRZSA-N	316.810	1.466	50	20	DDGD	
CC(C)Cc1ccc([C@H](C)C(=O)NNC(=O)c2ncon2)cc1	832825733	FUGBDGYLFGTJQT-NSHDSACASA-N	316.361	1.833	50	20	DDGD	
O=C(C[C@H]1OC(=O)c2ccccc21)NNC(=O)CC(F)(F)F	918366316	MKEKMKMNGPGCLO-SECBINFHSA-N	316.235	1.388	50	20	DDGD	
CC(C)O[C@H]1C[C@H](NC(=O)NNC(=O)c2ncccn2)C1(C)C	841582153	JYLGKSCWEGUQQH-QWRGUYRKSA-N	321.381	1.013	50	20	DDGD	
O=C(COCCc1ccccc1)NNC(=O)Cc1ccncc1	747324446	DRUUYMHOEIQKNV-UHFFFAOYSA-N	313.357	1.031	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccc(N(C)CCC#N)cc1	744818065	QZHWRTYTOPQOAF-UHFFFAOYSA-N	315.377	1.011	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@@H]1CCCN2CCCC[C@H]12	847441718	BXFOJJPGZFKNKA-GHMZBOCLSA-N	324.816	1.773	50	20	DDGD	
CC(C)Cc1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc(O)n1	843657058	OAYIIZJKSNTSAG-GWCFXTLKSA-N	321.377	1.172	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NN=Cc1cscn1	918710583	UYMQOQOKPSZPBD-UHFFFAOYSA-N	306.303	1.580	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)C(=O)NNc1nc2ccccc2n1C	848381079	GFWMIJOVYLQYQY-NSHDSACASA-N	312.377	1.629	50	20	DDGD	
COC[C@@H](C)CNC(=O)NNc1ccc(CC(=O)OC)cc1	845004683	FMZLYLHMZBOMMA-NSHDSACASA-N	309.366	1.311	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)N1CCOCC1)c1ccccc1	745730547	VBCRNFQQIBVVEA-LLVKDONJSA-N	308.407	1.169	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CSc1ccc(O)cc1	843979506	OQYKZDXFVHWEJF-JOYOIKCWSA-N	310.375	1.057	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCC(N)(CC)CC)cc1	841952383	RNVIWWGJZIVUPA-UHFFFAOYSA-N	306.410	1.711	50	20	DDGD	
CCCCCC[C@@H](CC)C(=O)NNC(=O)CN1CCCC1=O	913731171	XNIJFNFIULXONO-CYBMUJFWSA-N	311.426	1.753	50	20	DDGD	
COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NN(C)C[C@@H](C)O)c1	910154160	WPKRDOOFRFGWNA-SCDSUCTJSA-N	308.378	1.151	50	20	DDGD	
COc1ccc(Br)c(NNC(=O)NCCC#N)c1	840361136	SRWVVNAFTRAHDI-UHFFFAOYSA-N	313.155	1.997	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)CCC(=O)c1cnn(C)c1	846641694	LYGFFMAUIZFLSX-UHFFFAOYSA-N	320.324	1.674	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)NC[C@H]1CCCNC1	841927716	QFPYNDOOJOQORA-LBPRGKRZSA-N	324.812	1.213	50	20	DDGD	
O=C(C[C@H]1COC(=O)C1)NNc1ccc(OC(F)F)cc1	748661234	NPVUSZCYGAMTDE-MRVPVSSYSA-N	300.261	1.684	50	20	DDGD	
COCCOc1ccccc1C(=O)NNC(=O)c1ccncc1	919676750	SGHKPWZTTZHWMT-UHFFFAOYSA-N	315.329	1.182	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)[C@@H]1Cc2ccccc21	742036385	JXXVKBUOFOMMEE-OAHLLOKOSA-N	314.316	1.692	50	20	DDGD	
COCCOc1cccc(C=NNC(=O)[C@H]2CCO[C@H]2C)c1	842555638	MHNLBJRUYZBNMH-WFASDCNBSA-N	306.362	1.587	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)N1CCOCC1)CCO2	745591189	SIKZIKKULWVGBX-UHFFFAOYSA-N	305.334	1.224	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@@H]2CCc3cncn3C2)o1	844132353	DMWPIEOSAZXEID-SNVBAGLBSA-N	314.349	1.572	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1ccc(C(=O)OC)c(F)c1	849177555	ONWXRGUFJXBVSM-YRNVUSSQSA-N	307.277	1.709	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1cc(F)c(F)cc1F	843651613	DXNLOHINGPFGHD-APPZFPTMSA-N	316.279	1.219	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)NCCCN)c1	841932192	LTVVKPXIAHHCPW-UHFFFAOYSA-N	322.409	1.176	50	20	DDGD	
CCCC(C)(C)C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1	846627808	BFEDNWBAZBINQZ-STQMWFEESA-N	313.442	1.459	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@]1(C)CCc2ccccc21	843775093	OVQOUEKBRZENPI-INIZCTEOSA-N	305.378	1.257	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)CCCN)cc1Cl	841058590	UDPHJEVXCBIQFI-UHFFFAOYSA-N	314.773	1.630	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)Cc1cc[nH]n1)C(=O)c1ccccc1	755286033	IXYLHXZACZLZKF-LLVKDONJSA-N	314.345	1.009	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccc2c(c1)nc(O)n2C1CC1	854179977	FNGLAPJMYQPCDV-UHFFFAOYSA-N	300.318	1.248	50	20	DDGD	
CC(C)(C)N1C[C@H](C(=O)NNc2ncccc2[N+](=O)[O-])CC1=O	759286228	WWEPCMPIGXTRHB-SECBINFHSA-N	321.337	1.080	50	20	DDGD	
CO[C@@H](C=NNC(=O)CNC(=O)OC(C)(C)C)C1CCCC1	853329035	UYRQCERXACAMNE-LBPRGKRZSA-N	313.398	1.818	50	20	DDGD	
C[C@@]1(CNC(=O)COC2CCNCC2)C[C@@H]1Br	857007610	QHSDVDKWBSKWLB-JQWIXIFHSA-N	305.216	1.045	50	20	DDGD	
CC(C)(C)CC(=O)NCC(=O)NC[C@]1(C)C[C@H]1Br	857401224	KZJRMVVUHCABRN-RNCFNFMXSA-N	319.243	1.829	50	20	DDGD	
Cc1cccc2c1C(=NNC(=O)[C@@H]1CN3CCC[C@@H]3CO1)CC2	853390618	GGHHTASOPRWNNM-ZBFHGGJFSA-N	313.401	1.625	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCCO2)Nc1ccsc1	757659346	YPVHJUJFJARRGA-UHFFFAOYSA-N	319.342	1.986	50	20	DDGD	
CO[C@H](C=NNC(=O)CNC(=O)c1cccs1)C1CCCC1	853299107	JSLJRNXBSWOKCQ-GFCCVEGCSA-N	323.418	1.785	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H]1CCC[C@H](OC)C1	854285522	MBLUAELXNKADML-NEPJUHHUSA-N	317.455	1.066	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)CC)C1	751368942	MILSGVDXEOXMDR-NWDGAFQWSA-N	312.414	1.012	50	20	DDGD	
CCCCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cn[nH]c2)C1(C)C	858267771	HPSXJBNPPWZYTO-VXGBXAGGSA-N	323.397	1.338	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccc2cccnc2n1	855092960	VDNCIEGOQLYTID-UHFFFAOYSA-N	315.402	1.539	50	20	DDGD	
CCNC(=O)NNC(=O)c1nccnc1Sc1ccccc1	751534685	OERTUYLDXFJRTF-UHFFFAOYSA-N	317.374	1.592	50	20	DDGD	
Cn1ccnc(NC(=O)NNc2ccc(F)c(F)c2F)c1=O	757906198	LUGAUWGBLPOGPH-UHFFFAOYSA-N	313.239	1.346	50	20	DDGD	
Cn1nncc1NNC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1	857273743	VCZIUZDNVYPGNZ-YUMQZZPRSA-N	311.267	1.479	50	20	DDGD	
COc1cc(C(=O)NN=C[C@@H](OC)C2CC2)cc(OC)c1OC	853259674	MWANEBPUQAYFPC-CQSZACIVSA-N	322.361	1.853	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccn(CCc2ccncc2)n1	756731145	XZHQEPMFSBQYBB-UHFFFAOYSA-N	302.338	1.084	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)NCC1(C)CCCCC1	757741905	KXAHSKVKPFLNDL-LBPRGKRZSA-N	315.414	1.339	50	20	DDGD	
C[C@H](C[S@](C)=O)NC(=O)NNc1ccc([N+](=O)[O-])cc1F	853981928	QUNMLOJTKZZPTD-QFWYVNQISA-N	318.330	1.127	50	20	DDGD	
CN(C[C@H]1COCCO1)/C(=C/C#N)c1ccc([N+](=O)[O-])cc1	852496442	QIZKVQTWUOTNGC-ULIPXBITSA-N	303.318	1.806	50	20	DDGD	
N#CSCCCNC(=O)Cc1cnn(-c2ccccc2)n1	854363103	LVJLZGOPRLSAEX-UHFFFAOYSA-N	301.375	1.530	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNc1ccc(C(F)(F)F)nn1	935075606	BTMXIKIHUWFAJB-RNFRBKRXSA-N	318.255	1.138	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)Cc2ccc3c(c2)CCO3)n1	753464939	UPDGEWSDPBWSDD-UHFFFAOYSA-N	319.752	1.333	50	20	DDGD	
Cc1ccccc1COCC(=O)NNC(=O)c1c[nH]nc1C	857123779	NHYZUHIHVWJUFD-UHFFFAOYSA-N	302.334	1.004	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@]2(C3CCCC3)CCNC2=O)n1	858264748	NDBYZTWLWAQSAX-MRXNPFEDSA-N	317.393	1.233	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1noc2c1COCC2	857864538	IFORPASJLAJOBV-UHFFFAOYSA-N	318.289	1.721	50	20	DDGD	
C#CCN1CCC(C(=O)NC[C@@]2(C)C[C@H]2Br)CC1	857400283	HMYDENPPFMBNSG-TZMCWYRMSA-N	313.239	1.621	50	20	DDGD	
CCn1cnc(C(=O)NNC(=O)COc2cc(C)cc(C)c2)c1	854190690	GOCQENRWRBSKBY-UHFFFAOYSA-N	316.361	1.360	50	20	DDGD	
O=C(NNc1ncccn1)NC1(C(F)(F)F)CCOCC1	932296652	XPSXAKNUGYUOQD-UHFFFAOYSA-N	305.260	1.214	50	20	DDGD	
CC[C@](C)(O)C(=O)NNC(=O)c1cc(C)nc2ccccc12	935794788	GJWDUGSIVAEGFQ-INIZCTEOSA-N	301.346	1.465	50	20	DDGD	
CCCc1sc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1CC	862449055	BAZOHJGUAQOXAB-SNVBAGLBSA-N	323.418	1.303	50	20	DDGD	
C[C@@H]1CCC[C@H]1CC(=O)OCC(=O)NNC(=O)c1ccccc1	769181162	OBFVDXXOALZKFM-OCCSQVGLSA-N	318.373	1.817	50	20	DDGD	
COc1ccc(C(=O)NN[C@@H](C)C(F)(F)F)c(OC)c1OC	862302965	GTSXTQKKUWCQIZ-ZETCQYMHSA-N	322.283	1.898	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNc2cccc(Cl)c2)c(=O)n1	766000293	JRINWQIIBIIUCF-UHFFFAOYSA-N	306.753	1.657	50	20	DDGD	
COC1(C(=O)NNCC(F)(F)C(F)(F)F)CCOCC1	863099190	XTDDXPKYGFRQOS-UHFFFAOYSA-N	306.231	1.000	50	20	DDGD	
Cn1ccc2c(NC(=O)C(=O)NNC(=O)CC3CC3)cccc21	764143038	NTPYVDDNBSRDQK-UHFFFAOYSA-N	314.345	1.064	50	20	DDGD	
CCN(CC(=O)NN=c1cc[nH]c(C)c1)C(=O)OC(C)(C)C	862510971	BFXQDABYHXHGEW-UHFFFAOYSA-N	308.382	1.512	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)C1CCC(C)CC1	863464702	MEALZXLTTROYCO-HTAVTVPLSA-N	318.439	1.031	50	20	DDGD	
COCCN(C)CCCNC(=O)[C@H](Br)C(C)(C)C	767034470	WYZUNDXLIBCEFN-NSHDSACASA-N	323.275	1.881	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNCC(F)(F)C(F)(F)F	863100359	PYBRSVKEAVRXMY-UHFFFAOYSA-N	312.242	1.779	50	20	DDGD	
Cc1nn(CC(F)F)c(C)c1C(=O)NNC(=O)C1CCCC1	760845180	JMENHZBADJVFEO-UHFFFAOYSA-N	314.336	1.716	50	20	DDGD	
Cc1ccc(C=NNC(=O)c2cccc(S(C)(=O)=O)c2)cn1	764905345	VLUWZEXDKLRLBD-UHFFFAOYSA-N	317.370	1.557	50	20	DDGD	
Cc1ccc(F)c(NC(=O)C(=O)NNC(=O)CC(F)(F)F)c1	764111167	DJBQNQWNVXHGMZ-UHFFFAOYSA-N	321.230	1.172	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	862992439	FSKKNEOAYHWTTK-GFCCVEGCSA-N	320.349	1.229	50	20	DDGD	
N#CC1=CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1	767160405	PVSYEKKAZFYDPC-UHFFFAOYSA-N	324.300	1.471	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1cncc2ccccc12	763880892	AZRYNRJONASPBO-UHFFFAOYSA-N	314.345	1.367	50	20	DDGD	
COCCN1CC[C@H](NC(=O)[C@@H](Br)C(C)(C)C)C1	768031111	OTFWGBYCKJTNRJ-WDEREUQCSA-N	321.259	1.633	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@](C)(O)C2CC2)cc1C	873761991	MHBUGEVZJLARCI-HNNXBMFYSA-N	307.419	1.782	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)CC[C@@H]2CCOC2)cn1	874953774	IQBKYAIKQVADES-SNVBAGLBSA-N	324.406	1.225	50	20	DDGD	
CCC[C@H]1C[C@H](C(=O)NNC(=S)NCCSC)CCO1	779948199	SNWMNOOVFWACGN-MNOVXSKESA-N	319.496	1.440	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1ccc(C(F)(F)F)cc1	779823195	NYGRTQIICBQHBE-UHFFFAOYSA-N	317.267	1.902	50	20	DDGD	
CCOCCNC(=O)NNC(=O)c1nc2ccccc2s1	872834277	BDMMFWGRSOWICT-UHFFFAOYSA-N	308.363	1.277	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc2c(c1)CCCN2	772088280	MIBVABWADLFCAY-JTQLQIEISA-N	319.361	1.147	50	20	DDGD	
C=C(C)[C@@H](NCC(=O)NNC(=O)C1CC1)c1ccc(F)c(F)c1	775723432	LCCBMRIQEXUCSZ-OAHLLOKOSA-N	323.343	1.729	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@@H]2CC23CCC3)cc1	873263194	UBVUGJBFKKFHSN-GFCCVEGCSA-N	304.350	1.974	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2c3c[nH]nc3CC[C@H]2C)n1	879422691	TWEAMAIFYRNGOY-OTYXRUKQSA-N	301.350	1.623	50	20	DDGD	
CC(=NNC(=O)c1ccnc(N(C)C)c1)c1ccc(C(=O)O)o1	773054566	SHRNFHSJLYHENU-UHFFFAOYSA-N	316.317	1.593	50	20	DDGD	
C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)NNC(=O)C(C)(C)C	776878432	YNRPDGYLDBERAR-VIFPVBQESA-N	300.403	1.008	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cnn(-c2ccccc2)c1CC	887140967	ZMIIDVCTVUHCHT-UHFFFAOYSA-N	324.384	1.999	50	20	DDGD	
CC(C)CN1CCN(S(=O)(=O)CCCCl)[C@H](C)C1=O	882089037	NXWSLZWHQPPDMH-LLVKDONJSA-N	310.847	1.134	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NC[C@H]1C=CCC1	883779057	NQZKZWLYMIQMEP-LBPRGKRZSA-N	303.362	1.534	50	20	DDGD	
Cc1cc(C)cc(CCC(=O)NNC(=O)C2CCOCC2)c1	883067885	ZAIWKAHILQENSL-UHFFFAOYSA-N	304.390	1.810	50	20	DDGD	
COc1ccc([N+](=O)[O-])c(OS(=O)(=O)CCCCl)c1	882304736	MUUALOVGUJUIGS-UHFFFAOYSA-N	309.727	1.941	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1cc(C)cc2cccnc12	782477887	CCJXBSPJHDZXBB-UHFFFAOYSA-N	322.390	1.398	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](C)Cc1cnc2ccccc2n1	887149282	QIOPHMUFVLKSSM-CYBMUJFWSA-N	324.384	1.759	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2ccc(C)c(O)c2)SCCO1	882050110	OOZITHOXHQGDNT-UHFFFAOYSA-N	308.359	1.457	50	20	DDGD	
CCSCCC=NNC(=O)c1nn(C)c(=O)c2ccccc12	781117719	GFHDLYBPRZHFKG-UHFFFAOYSA-N	318.402	1.792	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cnc(O)c2ccccc12	786918387	LFIBEEPCNSXUHD-UHFFFAOYSA-N	311.301	1.047	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cnn(C(F)F)c2)cc1	783344715	JUPBIDKCKAMWIX-UHFFFAOYSA-N	309.276	1.668	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2c(C)coc2C)c1	785687457	VRWOKGLQYACNLQ-UHFFFAOYSA-N	318.329	1.988	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1cc(O)cc([N+](=O)[O-])c1	780636720	LJMQQNKGSZILBC-UHFFFAOYSA-N	319.233	1.361	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@@H](c2ccncc2)C2CC2)cn1	890903352	FFHAMMMXBLURIS-MVMZHWFQSA-N	307.357	1.990	50	20	DDGD	
COc1ccc(NNC(=O)Cc2cn3cccc(C)c3n2)nc1	781537324	KJISBNSYTUTVPH-UHFFFAOYSA-N	311.345	1.732	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=C[C@H]2CCSC2)c1	782200445	RWBWIPZLGOTOJU-SNVBAGLBSA-N	312.416	1.559	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H](C)Oc2ccc(C=O)cc2)n1	795164951	HGIRHLGBOZDDRE-SNVBAGLBSA-N	316.317	1.208	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)Cn1ccc2ccccc21	795080725	MGXLOPYXTJIZHU-MRXNPFEDSA-N	303.362	1.604	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cccc(OC(F)F)c2)o1	794289085	QFSRQSPYMMUHKN-UHFFFAOYSA-N	321.239	1.827	50	20	DDGD	
O=C(C[C@@H]1CCCOC1)NNc1nc(-c2cccnc2)no1	793480999	XPHSRASKHHVRRB-JTQLQIEISA-N	303.322	1.391	50	20	DDGD	
Cc1nnc(NNC(=O)c2ccc(F)c3ccccc23)nc1O	794907528	XOVTVCZXRFTPBT-UHFFFAOYSA-N	313.292	1.935	50	20	DDGD	
Cc1oc(C#N)cc1C(=O)NNC(=O)COc1ccc(F)cc1	797792202	UZAQUTBZEOMVLK-UHFFFAOYSA-N	317.276	1.439	50	20	DDGD	
Cn1cc2c(n1)CCCC2=NNC(=O)Cc1ccccc1F	794510016	ILECJPRDIJSDFO-UHFFFAOYSA-N	300.337	1.959	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)SCCC(=O)OC(C)(C)C	799307917	WHWGEZAWNQFUIQ-SECBINFHSA-N	304.412	1.397	50	20	DDGD	
COCC[C@@H](NC(=O)[C@@H](Br)C(C)(C)C)C(=O)OC	794249982	TUGFVRLAIBWQEJ-RKDXNWHRSA-N	324.215	1.490	50	20	DDGD	
CSCCNC(=S)NNC(=O)COC1CCC(C)CC1	793769305	ZSPWLIWSEHLZOY-UHFFFAOYSA-N	319.496	1.440	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc(C)nc3cc(C)nn23)n1	794072091	JMWPDSDUZVLYIW-UHFFFAOYSA-N	324.344	1.124	50	20	DDGD	
C[C@@H](Oc1cccc(C=NNC(=O)[C@H]2CCOC2)c1)C(=O)O	792654888	ICACFDFBZBUZFY-PWSUYJOCSA-N	306.318	1.025	50	20	DDGD	
Cc1noc(C)c1CCC(=O)NNc1nncc(N)c1Cl	1319219505	LJDUIAFKGMJAAE-UHFFFAOYSA-N	310.745	1.393	50	20	DDGD	
CC(C)(C)OC(=O)CCCC(=O)NNC(=O)[C@@H]1CCCCO1	1329523364	KOMCMLJLVCVPPC-NSHDSACASA-N	314.382	1.215	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)[C@H]1CCCCCN1	1328523136	SUZBLPYAUJEBLE-GFCCVEGCSA-N	311.407	1.065	50	20	DDGD	
CCCN1CCCC[C@H]1C(=O)NNC(=S)NCC1CCC1	1328755515	ANLFWQBWEZQHAI-ZDUSSCGKSA-N	312.483	1.546	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)Nc1ccsc1	1320134048	UGPIGUDXFUZDNS-UHFFFAOYSA-N	305.363	1.817	50	20	DDGD	
CCc1cccc(CC)c1NC(=S)NNC(=O)C(=O)OC	1322285207	BTCQMAVWVAQTCE-UHFFFAOYSA-N	309.391	1.302	50	20	DDGD	
O=C(NNc1nccc2sccc12)C(=O)Nc1ccon1	1321625835	QNCFKTPMUBPUHM-UHFFFAOYSA-N	303.303	1.366	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2Cc3ccc(F)cc32)cc1	1326872685	BLGZDUGINFXHLD-HNNXBMFYSA-N	314.316	1.935	50	20	DDGD	
CSCCNC(=O)NNC(=O)c1cncn1-c1ccccc1	1329976862	PTGVILCHTZVVAY-UHFFFAOYSA-N	319.390	1.179	50	20	DDGD	
CCCc1n[nH]cc1C(=O)NNc1nc(-c2ccncc2)no1	1320383584	ZUDUZSPZGUUUJQ-UHFFFAOYSA-N	313.321	1.564	50	20	DDGD	
CNC[C@H](C)CNC(=O)NNC(=O)c1ccc2ccccc2n1	1325324091	MESRECGZNNIURV-NSHDSACASA-N	315.377	1.034	50	20	DDGD	
CCc1ccc([C@@H](COC)NC(=O)NN=c2cc[nH]c(C)c2)o1	1330711675	OLTRVIOWKXYSEB-CQSZACIVSA-N	318.377	1.981	50	20	DDGD	
O=C(NNC(=S)Nc1cccc(F)c1F)C1CCOCC1	1334885764	AIOCPOYODOFNIA-UHFFFAOYSA-N	315.345	1.709	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@@]2(F)CCOC2)c1	1332508502	XCULXKCIEVREFO-CYBMUJFWSA-N	315.345	1.580	50	20	DDGD	
CC1=NO[C@](C)(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)C1	1335909402	PEGBODUQLQXSOO-ZDUSSCGKSA-N	312.276	1.672	50	20	DDGD	
C=C(C)[C@@H](CC(=O)NNC(=O)c1ccc(OC)cc1)OCC	1341133941	RRXXDORURNENGJ-CQSZACIVSA-N	306.362	1.828	50	20	DDGD	
C[C@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)c1noc(C(F)F)n1	1348966372	IGZOQKQFRZFKOH-MEVQIBDESA-N	322.275	1.525	50	20	DDGD	
CC(C)N1CCC[C@H]1C(=O)NNC(=O)c1ccccc1Cl	1340428924	AACNOEUVAJEVPY-ZDUSSCGKSA-N	309.797	1.974	50	20	DDGD	
C[C@H](OC1CCCCC1)C(=O)NNC(=O)N=c1cc[nH]cc1	1340043699	ZVKFEDFJFOCUKU-NSHDSACASA-N	306.366	1.394	50	20	DDGD	
Cc1c(NNC(=O)c2nn(C)cc2Cl)cccc1C(=O)O	1600054703	DFVVEPIRXJQDLL-UHFFFAOYSA-N	308.725	1.837	50	20	DDGD	
Cc1c(NNC(=O)CC2(C#N)CCOCC2)cccc1C(=O)O	1600053022	YFNUSVUVOGKRCK-UHFFFAOYSA-N	317.345	1.847	50	20	DDGD	
Cn1cc(NC(=O)NNc2ccc(C#N)cn2)cc1C(=O)O	1600966146	VUSLFJDINYRIMF-UHFFFAOYSA-N	300.278	1.139	50	20	DDGD	
CSSCCNC(=O)CCCn1ccc(C(=O)O)n1	1607400651	KXFILOSHVMUSLH-UHFFFAOYSA-N	303.409	1.489	50	20	DDGD	
C[C@H]1CC[C@H](C)N1CC(=O)NNc1ccc(C(=O)O)cc1F	1609845496	GROZZLGQXLQCHE-UWVGGRQHSA-N	309.341	1.840	50	20	DDGD	
O=C(COc1cccnc1)NNc1ccc(F)c(C(=O)O)c1	1601345316	ADKWFARGCSLQJY-UHFFFAOYSA-N	305.265	1.441	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)C1(C(=O)O)CCC1	1605676011	KLTKXLKCAVCCKT-UHFFFAOYSA-N	304.346	1.412	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C23CCC(C(=O)O)(CC2)C3)n1	1600183265	WBZOAPPHZKZFKX-UHFFFAOYSA-N	304.350	1.572	50	20	DDGD	
O=C(O)c1cc(OC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)ccc1[N+](=O)[O-]	1608857640	USCIPOLZVVEJCL-CQFDHEJISA-N	305.242	1.424	50	20	DDGD	
COc1cnc(C(=O)NNc2ccc(C(=O)O)cn2)c(F)c1	1607354393	KFWDJMKAIFFDGK-UHFFFAOYSA-N	306.253	1.079	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1ccc(-c2nn[nH]n2)cc1	1609437560	MEMLWOPRIGHWQS-UHFFFAOYSA-N	310.321	1.719	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1cncc(C)c1	1549319207	GVFIVLQZCWFXLS-GJZGRUSLSA-N	302.378	1.093	50	20	DDGD	
CCn1cc(CC(=O)NNc2cccc(C(=O)O)c2F)cn1	1610082986	UZPNIBYHRRRZGN-UHFFFAOYSA-N	306.297	1.426	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)NN=Cc1cc[nH]c1	1549314474	DGTKMKMJODQDEZ-GXTWGEPZSA-N	301.350	1.366	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)C[C@@H]2CCCN2)cc1	1578427952	TWZMAQUGTLHYCA-LBPRGKRZSA-N	321.450	1.212	50	20	DDGD	
C/C(=C/c1ccccn1)C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1573365184	LKJLJFMAIHQKOC-NTMALXAHSA-N	322.332	1.203	50	20	DDGD	
C=C[C@](C)(CCOC)C(=O)NNc1ccc(CC(=O)O)cc1	1588681701	CWQWBZJYDVIVPY-MRXNPFEDSA-N	306.362	1.986	50	20	DDGD	
Cc1cc(C(=O)N2CCCC23CN(C(=O)[C@@H](F)Cl)C3)n[nH]1	1844768521	JEDUUYOOCJWEPQ-SNVBAGLBSA-N	314.748	1.070	50	20	DDGD	
CCCC(=O)N1CCC[C@@H]1C(=O)NNc1ccc(C(=O)O)cn1	1595523966	ZIINFJWFTYAWDC-LLVKDONJSA-N	320.349	1.014	50	20	DDGD	
Cc1cc(C)n([C@@H](C)CC(=O)NNc2ncccc2C(=O)O)n1	1594298146	DFHBQKQJZYWCFU-NSHDSACASA-N	317.349	1.688	50	20	DDGD	
O=C(O)CC[C@H]1C[C@H](C(=O)NNc2ncc(F)cc2F)CO1	1595006916	XCRGUGXPMDLHMX-CBAPKCEASA-N	315.276	1.073	50	20	DDGD	
CO[C@](C)(C(=O)O)C(=O)NNc1ccc(C(F)(F)F)cc1	1593926607	LFSWXVOPOBHNHE-NSHDSACASA-N	306.240	1.638	50	20	DDGD	
CCc1ccc(CC(=O)NNc2ccc(C(=O)O)cn2)nc1	1597521580	VMXFFZMHOYSSCY-UHFFFAOYSA-N	300.318	1.423	50	20	DDGD	
Cc1ccn2cnc(C(=O)NNc3ncccc3C(=O)O)c2c1	1594421404	GSHBWJSUULTCCB-UHFFFAOYSA-N	311.301	1.493	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2cccc(F)c2C(=O)O)CCC1=O	1594204111	UPOZGYGJNCPVOQ-IUCAKERBSA-N	308.309	1.972	50	20	DDGD	
O=C(NN=Cc1ccn([C@H]2C[C@H](C(=O)O)C2)n1)C1CCCC1	1776028632	RLRDTNARSRJMAZ-AULYBMBSSA-N	304.350	1.559	50	20	DDGD	
CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](Cl)CC)C2)C1	1781212648	DHXQLOXZIREOLN-IUODEOHRSA-N	316.829	1.634	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Oc1cccc(Br)c1	15386789	KVOMRYOXDHQZLD-QMMMGPOBSA-N	315.167	1.774	50	20	DDGD	
COC(=O)NNC(=O)Cc1cc(OC)ccc1Br	158897030	BEVYBLPMIZWIBD-UHFFFAOYSA-N	317.139	1.387	50	20	DDGD	
O=S(=O)(CCCCCl)NCc1cccc2c1OCO2	163443916	PRZYIEHLKLSCNS-UHFFFAOYSA-N	305.783	1.854	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@H](O)c1ccccc1Cl	163446498	LCSPHVAWMOMJIC-CQSZACIVSA-N	319.748	1.159	50	20	DDGD	
CCCCCOCC(=O)NNc1ccc(S(C)(=O)=O)cc1	156030410	DBVMCNMBLDYJPY-UHFFFAOYSA-N	314.407	1.740	50	20	DDGD	
CSSCCNC(=O)N1CCC2(CC1)C[C@H]2C(=O)O	405355813	ISEGXUGGZIPNHG-VIFPVBQESA-N	304.437	1.894	50	20	DDGD	
C[C@H](CNS(=O)(=O)CCCCl)NC(=O)OC(C)(C)C	882141880	UXSIEZRIYJAOPX-SECBINFHSA-N	314.835	1.448	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)Cc2c(C)nc(C)[nH]c2=O)c1	119946690	VNWOZNLYKSTJHQ-UHFFFAOYSA-N	300.362	1.689	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)c2cc(C)on2)c1	103549683	GGHAGPSKEITDRR-UHFFFAOYSA-N	300.343	1.596	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)c1cccnc1	67125901	HDDQUHZXXZLUBU-UHFFFAOYSA-N	300.274	1.373	50	20	DDGD	
C[C@H]1CCC[C@H](C)N(C(=O)NNC(=O)Cc2cccnc2)C1	176393482	IOCFPBFIRJGVSJ-STQMWFEESA-N	304.394	1.875	50	20	DDGD	
COc1ccc(F)cc1C(=O)NNC(=O)Cc1cccnc1	103424170	PZDKIOMICFTXGE-UHFFFAOYSA-N	303.293	1.233	50	20	DDGD	
Cc1ccc(F)cc1S(=O)(=O)NNC(=O)CC(C)(C)C	103060522	UEBNVHRVLLXWJY-UHFFFAOYSA-N	302.371	1.880	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1ccnc(N2CCCC2)c1	178952449	XKNAADADZFFOIC-WYMLVPIESA-N	300.362	1.742	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)OCCO3)n1	179420632	QBGJQGDTKKGBHU-WQLSENKSSA-N	310.313	1.737	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)Cc1ccccc1OC	69358571	QSURLMZZMOJVDO-GFCCVEGCSA-N	306.362	1.366	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H]1C[C@@]12CCc1ccccc12	174667076	VAGBWNRMPNIAJO-WMLDXEAASA-N	317.389	1.257	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1csc(-c2ccco2)n1	65192351	HQACXKWMSQAZMQ-UHFFFAOYSA-N	306.347	1.757	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)[C@H]1COc2ccccc21	175103356	AZDWLXGFTNOZLG-AWEZNQCLSA-N	311.341	1.422	50	20	DDGD	
O=C(NNC(=O)c1ccc(Br)nc1)c1ccncc1	173994913	JGDSXQQNGYPGJA-UHFFFAOYSA-N	321.134	1.314	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1c(F)ccc(F)c1F	185193739	PORLHKAZAONFRF-UHFFFAOYSA-N	309.247	1.503	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)CN2CSCC2=O)cc1	181136400	FABRTCQOUHWEJU-UHFFFAOYSA-N	307.419	1.960	50	20	DDGD	
CNS(=O)(=O)c1ccc(C(=O)NNc2ccc(C)cc2)o1	120920630	AXMYCJVTQQVGAT-UHFFFAOYSA-N	309.347	1.253	50	20	DDGD	
CS[C@H](CO)[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(F)cc1	183614419	FSHPXXLHXMSTLJ-GONRPIDOSA-N	308.378	1.961	50	20	DDGD	
Cn1cc(NC(=O)NNC(=O)c2ccc3ccccc3n2)cn1	183225179	HVRCLFPXGYZNID-UHFFFAOYSA-N	310.317	1.435	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cccn1C	72656422	KXLBKCAZWYSNFA-SNVBAGLBSA-N	305.309	1.393	50	20	DDGD	
CC(C)(C)OCC(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	182496802	HSXKXHUYFWLBNG-UHFFFAOYSA-N	322.390	1.714	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cn(C)c(=O)cc2C)o1	186417907	WXUIFAGKSJIQNJ-UHFFFAOYSA-N	304.306	1.062	50	20	DDGD	
C[C@H]1CCC[C@](CNC(=O)NNc2cccnn2)(N(C)C)C1	77572685	XTNGTRMOUKSCHT-WFASDCNBSA-N	306.414	1.613	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)Nc1cccnn1	186551776	LROUZWHRTRQKQB-UHFFFAOYSA-N	310.317	1.284	50	20	DDGD	
CCc1cnc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)s1	190718875	SWMIJTPTTMKUFJ-UHFFFAOYSA-N	312.395	1.228	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cnsn2)c1C	47816095	OLCVEJVLTKAKII-JTQLQIEISA-N	320.374	1.383	50	20	DDGD	
COCc1nc(C(=O)NNC(=S)N[C@@H](C)C2CC2)cs1	83679002	WTKVHXKWGFOMFJ-ZETCQYMHSA-N	314.436	1.197	50	20	DDGD	
NNC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1	193156205	JUFFQUGMUHYOJC-SNVBAGLBSA-N	302.161	1.588	50	20	DDGD	
CC(C)c1ccc(CCC(=O)NNC(=O)C(=O)NC2CC2)cc1	44349864	RUXVHKBTEMIKSK-UHFFFAOYSA-N	317.389	1.169	50	20	DDGD	
CN(C)C(=O)NNC(=O)Cc1coc2cc3c(cc12)CCC3	194935826	UADLZKFMMGBNOT-UHFFFAOYSA-N	301.346	1.766	50	20	DDGD	
CCCCCC[C@H](C)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1	43000527	KFPKDWIUEBBRJK-GXTWGEPZSA-N	319.471	1.726	50	20	DDGD	
COc1ccc(NNC(=O)C[C@@H]2CCCOC2)c([N+](=O)[O-])c1	193587380	ONRSZSWJDOQAMJ-JTQLQIEISA-N	309.322	1.863	50	20	DDGD	
COc1cccc(CC(=O)NNC(=O)c2ccc(C)cc2O)c1	80387729	SEPLOUPBPFBGGO-UHFFFAOYSA-N	314.341	1.713	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C[C@@H]2CCCO2)c2ccccc21	47063496	DVKLQVNLBXEISK-NSHDSACASA-N	301.346	1.508	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCC(=O)NCC)c1C	192721086	RMCFWVYAGDRJJQ-OQLLNIDSSA-N	316.405	1.674	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2coc(C3CCC3)n2)n1	195318154	XHTVXXJTISMAHV-UHFFFAOYSA-N	317.349	1.217	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc(NC(N)=O)cc2)cc1	142461280	UITXWDVJYZXYBU-UHFFFAOYSA-N	323.312	1.124	50	20	DDGD	
CCCC[C@@H](CN)NC(=O)c1c(C)nn(CCCl)c1C	236860972	WULNUQCXLCXKOH-LBPRGKRZSA-N	300.834	1.986	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(C)n(-c2ccccc2C)c1C	97714300	HMCGSOWMGAFKDY-UHFFFAOYSA-N	300.362	1.976	50	20	DDGD	
Cc1ccc([C@H](O)CNC(=O)NNC(=O)c2ccc(C)s2)o1	265984330	MYRPTRUBHUFIMD-SNVBAGLBSA-N	323.374	1.636	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc(C(=O)O)cc1C	268091394	AVRVRQFVLAMHGD-QMMMGPOBSA-N	314.363	1.049	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCN(CC#N)CC1	266903773	QGULHJQQESMSBU-UHFFFAOYSA-N	309.801	1.020	50	20	DDGD	
CN(C)c1noc(CCC(=O)NNc2ccc(C#N)cc2)n1	275822621	YWMYJUGIZQJWNS-UHFFFAOYSA-N	300.322	1.083	50	20	DDGD	
COC(=O)NNC(=O)c1cc(Br)c(C)nc1OC	275062942	YSPQUMPVPYDVLA-UHFFFAOYSA-N	318.127	1.162	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccccc1OCCCOC	274461999	WRYSQNHZJJIHQL-UHFFFAOYSA-N	324.381	1.800	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)COc1ccccc1C(F)(F)F	277852948	AXJBZHMKNFAHDG-UHFFFAOYSA-N	320.267	1.003	50	20	DDGD	
CCCOc1ncccc1CNS(=O)(=O)CBr	272754723	BAEGZLZLNFIELD-UHFFFAOYSA-N	323.212	1.642	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NO[C@H]1CCCCO1)c1ccccc1	274855071	BMYUWSBJAJSYAO-KBPBESRZSA-N	321.377	1.969	50	20	DDGD	
CN1C[C@@H](C(=O)NNc2ncccc2F)c2ccccc2C1=O	375950973	LJBOYMSVAUUCPQ-GFCCVEGCSA-N	314.320	1.533	50	20	DDGD	
COC1(CNC(=O)NNC(=O)c2ccc[nH]2)CCC(C)CC1	279892670	VHJBYIXVSNPLRZ-UHFFFAOYSA-N	308.382	1.554	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@]2(C)CCCS2)n1	280824809	IZDBQHWPZOFBHI-AWEZNQCLSA-N	308.407	1.620	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H]1CCCc2cn(CCOC)nc21	378543460	JNKILMLYLOBUIS-CMPYXILNSA-N	318.377	1.467	50	20	DDGD	
O=C(NC[C@@H]1OCCc2ccccc21)NNC(=O)c1ccc[nH]1	370894191	YYXJHXYEKRYRSK-AWEZNQCLSA-N	314.345	1.273	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1ccc(F)c2ccccc12	280791356	KZPRRUKCUXJOKC-UHFFFAOYSA-N	317.320	1.666	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)c1c[nH]c2ccccc12	280409259	YESGQALMPFWYKA-GHMZBOCLSA-N	313.357	1.934	50	20	DDGD	
CC[C@@H]1C[C@H]1NC(=O)NNC(=O)c1ccc2c(c1)OCCO2	281166364	CUYJVWBEMJFOJN-MWLCHTKSSA-N	305.334	1.200	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)N=c2cc[nH]cc2)c1Cl	802030121	XIZOOPVLZFDTBK-UHFFFAOYSA-N	322.756	1.148	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc(Cl)cc(F)c2N)O1	294039886	YESNWXIJFDPWBO-WKEGUHRASA-N	315.732	1.390	50	20	DDGD	
C[C@H](CC(=O)NNc1cccc(F)n1)NC(=O)OC(C)(C)C	804768004	KIYDSRDLZMYHOD-SECBINFHSA-N	312.345	1.967	50	20	DDGD	
C[S@](=O)Cc1cccc(C(=O)NNc2cccc(F)n2)c1	804772162	CWCZNUNPSDIQKV-NRFANRHFSA-N	307.350	1.856	50	20	DDGD	
C[C@@H](CC(=O)NNc1cccc(F)n1)NC(=O)OC(C)(C)C	804768006	KIYDSRDLZMYHOD-VIFPVBQESA-N	312.345	1.967	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)C[C@H]1CCCC(=O)N1	291792694	XIVWYHUDHONQFV-LLVKDONJSA-N	304.350	1.207	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@H](N2CCCC2)[C@@H]1C	805767820	HKNTXBSXEQDBHH-KKUMJFAQSA-N	324.469	1.127	50	20	DDGD	
COCCOc1cccc(/C=C/C(=O)NNC(=O)CC2CC2)c1	294012825	BPUKJMRAXGBRFM-BQYQJAHWSA-N	318.373	1.673	50	20	DDGD	
COc1ccccc1C1(C(=O)NNC(=O)[C@@H]2CCCCO2)CC1	295354923	IVOXIDSSKISWEQ-AWEZNQCLSA-N	318.373	1.443	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1nc(C2CC2)cs1	806977973	HHPZSTVNQNOMHK-UHFFFAOYSA-N	324.406	1.543	50	20	DDGD	
C[C@@H]1CC[C@@H](C(=O)NNc2nc(O)c3cnn(C)c3n2)C[C@H]1C	294964792	PRTDBYVYTCUASF-OPRDCNLKSA-N	318.381	1.584	50	20	DDGD	
O=C(Cc1cncs1)NNc1ccc2c(=O)[nH]ccc2c1	803433258	SJZWUMZJOLBQFK-UHFFFAOYSA-N	300.343	1.670	50	20	DDGD	
Cc1cc(C)nc(C(=O)NNC(=O)Cc2cn3ccccc3n2)c1	800905492	YXUZSKAFMUYERL-UHFFFAOYSA-N	323.356	1.350	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCC(F)(F)[C@H](C)C2)n1	292734254	ZSQRSUWRNUTLRW-SECBINFHSA-N	312.320	1.722	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cccc(OC(C)C)c2)[nH]n1	296922538	CAEOWMOGGFGKNO-UHFFFAOYSA-N	317.349	1.972	50	20	DDGD	
CCC(C)(C)CC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	801108394	MZYAQEOGRNEHMT-UHFFFAOYSA-N	305.378	1.907	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)[C@@H]1CCCN(C(=O)C2CC2)C1	297008174	RJJKDRFROUGAJU-SNVBAGLBSA-N	324.331	1.452	50	20	DDGD	
COc1cccc(CNC(=O)NNC(=O)[C@H]2CCCCO2)c1	296261268	SLOLLPDZPVBVPQ-CYBMUJFWSA-N	307.350	1.095	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2coc(C)n2)cc1OC	801600879	JSFVJDQRCKCRBM-UHFFFAOYSA-N	305.290	1.075	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCc1nc(C2CC2)n[nH]1	298097909	LYRSTBHZBUPAHT-UHFFFAOYSA-N	304.329	1.956	50	20	DDGD	
C#CCO[C@@H](C)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	294387531	OLQFHWDLXPHUHX-MNOVXSKESA-N	320.414	1.672	50	20	DDGD	
CCCN(C[C@H](C)CBr)[C@@H]1CC(=O)N(C)C1=O	801587052	WPAAWBDBMOTELR-NXEZZACHSA-N	305.216	1.487	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@](N)(c1cccc(F)c1)C(F)(F)F	806340070	NEQMEVHNSVZTLQ-GFCCVEGCSA-N	321.274	1.345	50	20	DDGD	
CCC[C@@H](CNC(=O)NNC(=O)Cc1ccccc1OC)OC	296607854	IACJGVHNTBIBMQ-ZDUSSCGKSA-N	323.393	1.383	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccnc(N2CCC[C@@H](C)C2)c1	813424073	FUUMXTWNSXVHCY-LLVKDONJSA-N	305.382	1.282	50	20	DDGD	
COc1cccc(NCC(=O)NN=C(C)c2cc(CO)on2)c1	812224353	AEGBEHAPQYTYBZ-UHFFFAOYSA-N	318.333	1.128	50	20	DDGD	
CNS(=O)(=O)c1ccc(C(C)=NNC(=O)CC2CC2)cc1	814989137	FTLYKFKWQYRMKT-UHFFFAOYSA-N	309.391	1.235	50	20	DDGD	
N#Cc1cccc(NNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)c1	810389009	YBSMKVUSECIPFI-UHFFFAOYSA-N	323.287	1.651	50	20	DDGD	
CCCc1[nH]ccc1C(=O)NNC(=O)c1ccc2c(c1)OCO2	817512823	IBLBNZCPCFGIIX-UHFFFAOYSA-N	315.329	1.771	50	20	DDGD	
C[C@H](C(=O)NNc1ncncc1F)c1ccc2c(c1)OCO2	817080797	FBQZDUFHVKIRNJ-QMMMGPOBSA-N	304.281	1.591	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccccc2O)c(C2CC2)n1	816830373	DJLBMBONALIWNT-UHFFFAOYSA-N	300.318	1.078	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2cc(C#N)cc(Cl)n2)c[nH]1	815906332	VRCLEQVUTMVTEQ-UHFFFAOYSA-N	319.708	1.478	50	20	DDGD	
CC(=NNC(=O)CNc1ccccc1F)c1csc(N)n1	812383363	ZEZUPVPJXCGDMK-UHFFFAOYSA-N	307.354	1.817	50	20	DDGD	
C[C@@H](CN1CCCCCC1)C(=O)NN=Cc1c[nH]c(C(=O)O)c1	814766405	IZECIVUGXPTESU-LBPRGKRZSA-N	320.393	1.675	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NC[C@@H]1C[C@H]2C=C[C@H]1CC2	817787770	KTZIPMUVXCFEAK-GUBZILKMSA-N	305.300	1.872	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2nnc3ccccc3n2)n1	810437870	KEUKJMKEFIWDKD-UHFFFAOYSA-N	315.724	1.534	50	20	DDGD	
CCC(Cc1ccccc1)=NNC(=O)[C@H](C)NS(C)(=O)=O	728436978	KYHJZQPJWJEEDL-NSHDSACASA-N	311.407	1.049	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H]2CC(=O)N(C(C)(C)C)C2)nn1	823148166	ZOWAATLKLYXXEV-NSHDSACASA-N	320.397	1.058	50	20	DDGD	
CC(C)NC(=O)/C(C#N)=C/c1ccc(O[C@@H](C)C(=O)O)cc1	490944306	VWAIRQSJKNQPTL-ZWSXMNCCSA-N	302.330	1.970	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC[C@@H]1c1ccccc1	827315993	XMFHFARVLJARMU-AEGPPILISA-N	317.389	1.989	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1	828663372	FUZZAGMHDWFVDS-SNVBAGLBSA-N	308.338	1.049	50	20	DDGD	
CCn1nccc1C=NNC(=O)CCCNC(=O)OC(C)(C)C	495803121	WLIMXLSMWNLBSF-UHFFFAOYSA-N	323.397	1.658	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(F)cc(Br)c1	823970113	BYOKTWOYCOLZPZ-SSDOTTSWSA-N	305.147	1.546	50	20	DDGD	
CCN(CCO)NC(=O)[C@@](C)(O)CSc1cccc(F)c1	823884587	APEGLEPYVRLLIX-AWEZNQCLSA-N	316.398	1.014	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cccc(F)c1SC	824357249	ZUDWUMHRMOXLET-UHFFFAOYSA-N	301.343	1.737	50	20	DDGD	
CSC1(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CCC1	826648781	JXSHFDXZZWLQGJ-ZJUUUORDSA-N	301.412	1.028	50	20	DDGD	
CCN(CCO)NC(=O)Cc1csc(Cc2ccccc2)n1	823847277	UUUUABSQENZWPA-UHFFFAOYSA-N	319.430	1.622	50	20	DDGD	
COC(=O)NCC(=O)NNc1ccnc2cc(Cl)ccc12	491224909	IGJJIHPMVJPIRS-UHFFFAOYSA-N	308.725	1.687	50	20	DDGD	
C[C@H](C(=O)NN(C)C(=O)OC(C)(C)C)N(C)CC(F)(F)F	496393809	UDBPQEUOGHHBEM-MRVPVSSYSA-N	313.320	1.767	50	20	DDGD	
CCOC(=O)N1CC[C@@H](NC(=O)NCCSSC)C1	495666625	AMTWFBQNOFAXGJ-SECBINFHSA-N	307.441	1.528	50	20	DDGD	
COc1ccccc1C=NNC(=O)CNC(=O)OC(C)(C)C	494433425	FPSVJLARQSTFBQ-UHFFFAOYSA-N	307.350	1.670	50	20	DDGD	
CC(C)[C@@]1(C)C[C@@H]1C(=O)NNC(=O)CNC(=O)OC(C)(C)C	495508093	BMYBDDZGEAQEDR-MEBBXXQBSA-N	313.398	1.341	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1ccc(C(=O)O)cc1	494540878	WIKKNANBBVVYSG-UHFFFAOYSA-N	321.333	1.360	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCc2n[nH]cc21	826448014	FCGOGLBURQNERX-LLVKDONJSA-N	324.348	1.153	50	20	DDGD	
Cc1onc(-c2ccc(F)cc2)c1C(=O)NN(C)[C@H](C)CO	823977337	URLSYXRBTLBLOW-SECBINFHSA-N	307.325	1.747	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2C[C@H]2CC(C)C)cc1	822222223	YWOVFNDIDLSUAS-TZMCWYRMSA-N	317.389	1.763	50	20	DDGD	
O=C(CSc1nc2ccccc2s1)N1CC[C@@H](B(O)O)C1	585075091	PTRDJAAEJVTSEG-SECBINFHSA-N	322.220	1.464	50	20	DDGD	
C[C@H](CC(=O)O)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	827304760	ZSEXIMJUQOQTSH-ZCFIWIBFSA-N	301.686	1.802	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](O)c1ccc(C(F)(F)F)cc1	823559565	YHWMEDUPMHQOSN-SECBINFHSA-N	321.324	1.206	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCc1ccc(C(C)C)cc1	731279212	XPFBURMMMHONLM-UHFFFAOYSA-N	307.394	1.719	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C	496003052	DUBNJVHZOPXAGO-DTWKUNHWSA-N	303.359	1.313	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)/C=C/C2CC2)o1	820203060	PGLIZLAFEGPTRT-AATRIKPKSA-N	303.326	1.387	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC2CC(C)(C)NC(C)(C)C2)cn1	820447638	VPPKKBAIQLFWDE-AWNIVKPZSA-N	315.421	1.752	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21	906583220	VJGWZYCRTOSKSU-XFBWCDHKSA-N	311.341	1.014	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(S)n1)c1ccc(O)cc1	730585746	MIACMIJZMLNVNX-UHFFFAOYSA-N	318.358	1.259	50	20	DDGD	
Cc1cc(C)cc(C[C@H](C)NC(=O)c2ccc(B(O)O)cc2)c1	584951039	HLPHUQQGEVBQLN-AWEZNQCLSA-N	311.190	1.344	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCC(c2ccco2)CC1	585008211	MAEPCHRUDLBCJK-UHFFFAOYSA-N	317.125	1.118	50	20	DDGD	
CSSCCNC(=O)CCN1CCN(C(C)C)CC1	908068522	CQIYORLFITTWRJ-UHFFFAOYSA-N	305.513	1.530	50	20	DDGD	
O=C(O)CC1(NS(=O)(=O)CBr)CCCCC1	905194890	LQTGQSLGEIRRQJ-UHFFFAOYSA-N	314.201	1.436	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CSCCSC2)o1	900989298	QDAFHHCNXKBOPS-UHFFFAOYSA-N	315.420	1.046	50	20	DDGD	
OB(O)c1cccc(CNCCCOc2ccc(F)cc2)c1	585019534	NPHXQZIODJGPEZ-UHFFFAOYSA-N	303.142	1.064	50	20	DDGD	
CO[C@@H]1CC(=NNC(=O)[C@@H]2COc3ccccc3O2)C12CCC2	834918343	UGEVQAMMIZMWAJ-DZGCQCFKSA-N	316.357	1.888	50	20	DDGD	
CC[C@](C)(NC(=O)c1cccc(B(O)O)c1)c1nc(C)cs1	584952841	XCKUDSWHOOEYMK-HNNXBMFYSA-N	318.207	1.187	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@H]1CCCCO1)c1cccc(C#N)c1	836333015	BVVUFOVASLKWOA-SMDDNHRTSA-N	316.361	1.519	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](C)Cc2cccc(O)c2)nn1	730067395	TWSWIAHAUATODM-LLVKDONJSA-N	301.350	1.748	50	20	DDGD	
O=C(NC[C@H]1CCOC2(CCC2)C1)NNc1ncncc1F	836582559	KZVKOUJGPUVVMC-JTQLQIEISA-N	309.345	1.591	50	20	DDGD	
O=C(Cc1cccc(C(=O)O)c1)NNC(=O)CC(F)(F)F	833765508	AWRKPYFGTPTJKN-UHFFFAOYSA-N	304.224	1.027	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2cccc3ncccc23)CCCCO1	837400656	MRGFCIUDOZFDKS-KRWDZBQOSA-N	313.357	1.955	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1cc(C)c(OC)c(C)c1	901966141	MSWADNAQPZTUJP-UHFFFAOYSA-N	324.402	1.425	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)[C@H]1CCCCO1)SC	836332556	JJAIRHSKISRWFZ-LLVKDONJSA-N	317.455	1.808	50	20	DDGD	
CO[C@@H](c1ccc(F)cc1)[C@@H](C)NCc1ccccc1B(O)O	585035919	ZUYSECHTJFCEQP-SJKOYZFVSA-N	317.169	1.371	50	20	DDGD	
Cc1cnc(CCNC(=O)NNC(=O)c2ccccc2C)cn1	836194091	ZBNXZGMAGGKEQL-UHFFFAOYSA-N	313.361	1.280	50	20	DDGD	
CCOC1(C(=O)NNc2cccc([N+](=O)[O-])c2C)CCOCC1	830810953	XRTSGDZPBXLJOW-UHFFFAOYSA-N	323.349	1.932	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)COc1ccc(C)c(C)c1	834923018	UJYVZMATPYAHEZ-UHFFFAOYSA-N	315.377	1.752	50	20	DDGD	
CC[C@H](NCc1ccc(B(O)O)o1)C(C)(C)c1ccccc1	585025304	QUHBLVGOFWVHLB-HNNXBMFYSA-N	301.195	1.805	50	20	DDGD	
CC(=O)NNC(=O)C1CCN(C(=O)CCc2ccccc2)CC1	914857522	BNEAJTMDKKGTPS-UHFFFAOYSA-N	317.389	1.025	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(F)ccc1[N+](=O)[O-]	833778500	FMKWRWZAKIHUGK-LLVKDONJSA-N	311.269	1.064	50	20	DDGD	
COC(=O)c1cn(CC(=O)NNc2ccc(C(C)C)cc2)nn1	837053457	DVTDNLQMIHZYEQ-UHFFFAOYSA-N	317.349	1.331	50	20	DDGD	
C[C@H](C(=O)O)n1cccc1C=NNC(=O)Cc1ccccn1	833406444	GNIOSNAUOIMQQC-LLVKDONJSA-N	300.318	1.222	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCOCC2CCCC2)n1	836671498	DJPCXRGUXMSKQJ-UHFFFAOYSA-N	323.397	1.627	50	20	DDGD	
COc1ccc2nc(NNC(=O)CNC(=O)O)c(C)cc2c1	833734901	KKBHKQDLLWQQDH-UHFFFAOYSA-N	304.306	1.263	50	20	DDGD	
Cn1cc(/C=C/C(=O)NN=c2sc3ccccc3n2C)cn1	917107820	VKBCQIGRCZPZIQ-QNCGYQTMSA-N	313.386	1.619	50	20	DDGD	
COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NCCCSC#N	916985499	FSUAAGVEURXNBW-MNOVXSKESA-N	320.436	1.242	50	20	DDGD	
O=C(NNC(=S)NC1CC1)Nc1ccc(OC(F)F)cc1	741856240	JVCDEVWLPZBJKA-UHFFFAOYSA-N	316.333	1.951	50	20	DDGD	
COc1ccc(NNC(=O)c2cnc3ccc(C)cn3c2=O)cc1	746886963	PHSMGPGDOJQQKN-UHFFFAOYSA-N	324.340	1.768	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)C[C@H](C)C2CC2)c1	744868559	ZDKODXNTCAHNHM-LBPRGKRZSA-N	318.373	1.735	50	20	DDGD	
Cc1nc2scc(C)n2c1C=NNC(=O)C(=O)N1CCCC1	748136527	MSIHOMQTLRYEOL-UHFFFAOYSA-N	319.390	1.085	50	20	DDGD	
N[C@H]1CCC[C@H](NC(=O)NNc2ccc3c(=O)[nH]ccc3c2)C1	841982261	SFZUECRCLQAGMB-RYUDHWBXSA-N	315.377	1.424	50	20	DDGD	
CCn1nc(C(=O)NN=C2CO[C@H](C)C2)c2ccccc2c1=O	842523233	DNJZEBUBUDBLFV-SNVBAGLBSA-N	314.345	1.311	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cnc2c(c1)C[C@@H](N)CC2	841322130	OCBLSMVTWYVOGT-ONGXEEELSA-N	305.382	1.096	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)CC(F)(F)F)CN1CCCCC1	918104533	QWXOJSPHYXVYPA-SNVBAGLBSA-N	324.347	1.391	50	20	DDGD	
CCn1cc(C=NNC(=O)Nc2ccc(C(=O)O)cc2)cn1	743444886	UYMOWYPXKUWFCX-UHFFFAOYSA-N	301.306	1.757	50	20	DDGD	
Cc1cc(Cl)ccc1O[C@H](C)C(=O)NN(C)C[C@H](C)O	910182155	GFFDGISWTCXSEM-WDEREUQCSA-N	300.786	1.760	50	20	DDGD	
CCC(CC)n1nc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1C	843657888	DCUGSHUWHCAEKQ-DGCLKSJQSA-N	322.409	1.739	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(F)c(Cl)c1F	843659056	HFHGCOQNWRBAMV-RQJHMYQMSA-N	318.707	1.804	50	20	DDGD	
Cc1c(C(=O)NN(C)C[C@@H](C)O)csc1Br	910161067	RFWXNIOKVZAILW-ZCFIWIBFSA-N	307.213	1.776	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H](C)C(=O)OC(C)(C)C	840336673	RYMPIXXQHPCQNS-JTQLQIEISA-N	322.361	1.434	50	20	DDGD	
C[C@@H](N)CNC(=O)NNC(=O)c1cc2c(s1)CCCCCC2	841987484	XLJWVGPFWCSAHM-SNVBAGLBSA-N	324.450	1.698	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)/C=C\Sc1cc(F)ccc1F	910150169	OQYNDTTWHJICNC-SSJHQANKSA-N	302.346	1.914	50	20	DDGD	
Cc1nc(Br)sc1C(=O)NN(C)C[C@@H](C)O	910154413	CWZNCGDTCWSKMM-RXMQYKEDSA-N	308.201	1.171	50	20	DDGD	
C[C@H](COc1cccc(F)c1)NC(=O)NNC(=O)c1ccc[nH]1	919656117	KQUBSJGFORJWST-SNVBAGLBSA-N	320.324	1.565	50	20	DDGD	
COc1ccc([C@@H](C)N(C)CC(=O)NNC(=O)C(C)(C)C)cc1	744386509	NMWULCFLEQCIBR-GFCCVEGCSA-N	321.421	1.882	50	20	DDGD	
C[C@H](COCC1CC1)NC(=O)NNc1nc2ccccn2n1	845586938	UUHMHBPVSBRPOV-SNVBAGLBSA-N	304.354	1.171	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@H](C)C(=O)NNC(=O)CC(F)(F)F	743317864	PMIRXLLANNUJTH-ZETCQYMHSA-N	320.315	1.315	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@H]2CC23CCOCC3)cc1	846374114	JQIUCJZOMFANLZ-CQSZACIVSA-N	318.373	1.662	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccccc1OCCC(C)C	847207419	PVCRIWBBKRDESW-UHFFFAOYSA-N	309.366	1.911	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C)c(C)c1)c1ccn(C)n1	841607197	ROTYBSVFSMNXHE-UHFFFAOYSA-N	300.362	1.956	50	20	DDGD	
NC[C@H]1CC[C@H](NC(=O)NNc2ncnc3ccsc23)C1	842011022	PRGSZADJOHLMGB-IUCAKERBSA-N	306.395	1.445	50	20	DDGD	
O=C(NNc1cc(O)nc2ncccc12)[C@@H]1C[C@H]2CC[C@@H]1O2	913987972	MKCLPDUKOZXDMA-UISBYWKRSA-N	300.318	1.346	50	20	DDGD	
O=C1[C@H](NS(=O)(=O)CCl)CCN1c1ccc(F)cc1	841562861	KVHYIPHDKGDCTR-SNVBAGLBSA-N	306.746	1.047	50	20	DDGD	
CC[C@@H](C#N)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	845856041	MMKPEHOBMBHIJF-QMMMGPOBSA-N	317.317	1.676	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2CCO[C@H]2c2ccncc2)n1	845927423	OMXVAFXUTIXGJK-DOMZBBRYSA-N	314.345	1.706	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1ccc([S@](C)=O)cc1	746369740	AEOVMXLLLYDLMN-NRFANRHFSA-N	311.407	1.484	50	20	DDGD	
O=C(NNc1ccc(Cl)c(F)c1)[C@H]1CC(=O)N(C2CC2)C1	746695613	NAJFMFSUDPAGDV-QMMMGPOBSA-N	311.744	1.933	50	20	DDGD	
C[C@@H](CCN)NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	841968240	UZKQOSUVHDZLGE-HXTFMFRQSA-N	308.426	1.271	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnc([C@@H](C)OCC)s1	743820423	SKMXNTXIBLCRDG-MRVPVSSYSA-N	314.436	1.536	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1ccc2c(c1)CCN2	841276933	VTEVUFMYQKUSOB-ZDUSSCGKSA-N	304.350	1.376	50	20	DDGD	
O=C(NNC(=O)c1ccc(CN2CCCCC2)o1)c1ccc[nH]1	929421486	PWIFYCGPSHBBJH-UHFFFAOYSA-N	316.361	1.668	50	20	DDGD	
CCCN1C[C@H](C(=O)OC[C@@H](C)CBr)CC1=O	840665827	FEQGAWWACGUZCA-VHSXEESVSA-N	306.200	1.819	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cccnc1N1CCCC1	929691726	KEIGMTRVUVJJQX-UHFFFAOYSA-N	315.377	1.638	50	20	DDGD	
Cc1ccc(C(F)(F)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	843660558	KSHOFNBWXMZSAF-CMPLNLGQSA-N	312.316	1.659	50	20	DDGD	
CCc1ncc(C(=O)NNC(=O)COc2ccc(C)cc2)s1	920850303	VWOIUSBXUWJPRL-UHFFFAOYSA-N	319.386	1.854	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)N[C@@H]1CCCC12OCCO2	923812346	KNOUZFMNNUXDPZ-GFCCVEGCSA-N	313.304	1.887	50	20	DDGD	
O=C(CNc1ccccc1Cl)NNC(=O)c1ccccc1O	750229259	BQFOPRTVPYARKC-UHFFFAOYSA-N	319.748	1.919	50	20	DDGD	
C[C@H](CO[C@@H]1CCOC1)NC(=O)NNc1cc(F)ccc1F	921387250	DUKKCEZMBNIFOS-MWLCHTKSSA-N	315.320	1.785	50	20	DDGD	
CC(=O)NNC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1	920430024	FDISSLKDGVMYHD-NSHDSACASA-N	318.402	1.680	50	20	DDGD	
O=C(CCc1cccc([N+](=O)[O-])c1)NNC(=O)c1ccccn1	755033734	HEFGJIGIPXVGST-UHFFFAOYSA-N	314.301	1.384	50	20	DDGD	
CCOCCNC(=S)NNC(=O)NCCc1cccs1	751003620	OBOYSQDQDDLHRB-UHFFFAOYSA-N	316.452	1.005	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccc(C(N)=O)cc2)C[C@@H]1Br	857688140	DDRWQVACGYVGCX-GWCFXTLKSA-N	311.179	1.689	50	20	DDGD	
Cc1csc([C@H](C)CNC(=O)NNC(=O)CC(F)(F)F)n1	758686163	ZSHYYFYXJNKUBK-ZCFIWIBFSA-N	324.328	1.838	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)N2CCOCC2)C[C@H]1C	758115680	HHESIOWIWRXMEV-YPMHNXCESA-N	311.382	1.384	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H](CC(=O)NNc1cccnn1)C1CC1	753076506	CDIVEQGSMRQXJQ-LLVKDONJSA-N	321.381	1.613	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccc(C(N)=O)cc2F)o1	756821919	WUUPJQREUOWQNH-UHFFFAOYSA-N	320.280	1.293	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1)c1ncccn1	854952590	MSGLDICOWDGLKC-CABCVRRESA-N	324.384	1.897	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)c2c[nH]nc2C)C[C@H]1C	758109750	KZPSIISUHLBSIS-BXKDBHETSA-N	306.366	1.803	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=S)N[C@H](C)C2CC2)cc1	751621112	PYYASCCWLTXALP-SECBINFHSA-N	320.418	1.552	50	20	DDGD	
O=C1NCCCN1c1ccc(CNS(=O)(=O)CCl)cc1	851863262	MCRWXBZMBVZENM-UHFFFAOYSA-N	317.798	1.222	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)C(F)(F)CC	854213894	NRZZHDZMNAABBO-UHFFFAOYSA-N	324.331	1.791	50	20	DDGD	
Nc1ncc2c(n1)CN(C[C@@H](CBr)C1CC1)CC2	857922272	ZAOAUJVFVJFUME-LLVKDONJSA-N	311.227	1.838	50	20	DDGD	
CCN(CCOc1ccccc1OC)S(=O)(=O)CCl	851862788	GJZFRBWTVUAICY-UHFFFAOYSA-N	307.799	1.922	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1	858244956	LSTOZGMOBOWYLH-WCQGTBRESA-N	323.418	1.814	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2cn(C)nn2)c(C)n1-c1ccccc1	755486650	YBEQCXXSNDCAHL-UHFFFAOYSA-N	322.372	1.987	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)C[C@H]1Br	857385928	NUQJQRBBDLJIGZ-SHOJYFSJSA-N	300.196	1.891	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(-c2csc(C)n2)cc1	755548580	AEIARZVDBLCHKB-UHFFFAOYSA-N	320.374	1.918	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccc(Cl)cn2)c(C)n1	856092869	JJCHJSLXXDBJGZ-UHFFFAOYSA-N	309.757	1.643	50	20	DDGD	
COCCn1nc(C)c(NC(=O)NNC(=O)C2CCCC2)c1C	757872165	UKAWOPUTZBBERK-UHFFFAOYSA-N	323.397	1.489	50	20	DDGD	
C[C@H]1CN(C2CC2)CC1=NNC(=O)COc1ccc(C#N)cc1	755878967	CIYUVEHBXGLJJU-LBPRGKRZSA-N	312.373	1.523	50	20	DDGD	
CCOc1cccc(CCC(=O)NNc2nccc(OC)n2)c1	858404351	UIMKIZVEJBBPEK-UHFFFAOYSA-N	316.361	1.960	50	20	DDGD	
COCC(C)=NNC(=O)Cc1nc(O)c2c(C)c(C)sc2n1	750923638	UBQUKMXKCMBJHZ-UHFFFAOYSA-N	322.390	1.695	50	20	DDGD	
C[C@H]1Cc2ccccc2C1=NNC(=O)[C@H](C)CN1CCOCC1	751134220	KPIWIYLHKAARFW-UONOGXRCSA-N	315.417	1.667	50	20	DDGD	
CN(C)c1cccc2sc(C(=O)NNC(=O)C(C)(C)O)cc12	935562322	GIAAQPUYHARDNK-UHFFFAOYSA-N	321.402	1.499	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)Cn2ccc3ccccc32)O1	756931856	RMJHZIGTPBPFSG-DZGCQCFKSA-N	315.373	1.746	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NNC(=O)c1cccc(Cl)c1	862993325	NUTMWDQKNMSQAG-GFCCVEGCSA-N	309.797	1.974	50	20	DDGD	
COC(=O)CCC[C@@H]1CCCC(=NNC(=O)[C@H]2CCC(=O)N2)C1	863150521	WHYXDWCQCBUMEW-WCQYABFASA-N	323.393	1.271	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNc1cc(C(F)(F)F)ccn1	868607107	MLXYQLFQCQUPNY-VIFPVBQESA-N	304.272	1.458	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H]2C[C@H]2c2ccccc2C)n[nH]1	869018655	MRCHLGPXQPAIFP-LSDHHAIUSA-N	312.373	1.520	50	20	DDGD	
COCc1ccccc1/C=C(\C)C=NNC(=O)[C@@H]1CCC(=O)N1	863150668	YQIHXIGJNSGDKP-IJKREMMVSA-N	315.373	1.617	50	20	DDGD	
CCCNC(=O)NNC(=O)CCCOc1ccc2c(c1)OCO2	765275384	DHLDFFIYESPGEA-UHFFFAOYSA-N	323.349	1.315	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccnc(Br)c1	760907699	BSGJKOKTMYGCAB-UHFFFAOYSA-N	312.102	1.530	50	20	DDGD	
O=C(OCc1nc(O)n[nH]1)[C@@]12CC[C@@H](C[C@@H]1Br)C2	869462522	VHYIQYPQMITLMI-OKTBNZSVSA-N	316.155	1.507	50	20	DDGD	
CN1CCN(C)[C@@H](CNC(=O)[C@@H](Br)C(C)(C)C)C1	768084047	ILUHVXYDIOAMDA-WDEREUQCSA-N	320.275	1.158	50	20	DDGD	
CO[C@@](C)(C(=O)NNc1nnc(C)c(O)n1)c1ccccc1F	760793891	PKWZINFXOAHQFD-CQSZACIVSA-N	321.312	1.030	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C1CCS(=O)CC1	761801106	JYBBFZWADYEVNB-UHFFFAOYSA-N	324.402	1.479	50	20	DDGD	
CN(CCc1cnccn1)S(=O)(=O)CC(C)(C)CCl	867045519	HCPAGYOTBRAPQX-UHFFFAOYSA-N	305.831	1.546	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cnc(Cl)c(OC)c1	767451195	QELIDCONBYDDEC-SSDOTTSWSA-N	321.786	1.099	50	20	DDGD	
COC(=O)[C@@]1(C)CCN(S(=O)(=O)CC(C)(C)CCl)C1	866960544	OWJHSCXAABKZRR-LBPRGKRZSA-N	311.831	1.466	50	20	DDGD	
C[C@@H](NNC(=O)[C@H]1CC(c2ccccc2)=NO1)C(F)(F)F	862309508	LUNGEYAXFHENNZ-LDYMZIIASA-N	301.268	1.751	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2ccc(F)cc2C(F)(F)F)N1	863147658	LIOMGZDHTHGDTJ-SNVBAGLBSA-N	317.242	1.573	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2ccc(OC)cc2[N+](=O)[O-])CC1	769306488	IUYIRYWHSRIOMS-UHFFFAOYSA-N	323.305	1.390	50	20	DDGD	
CCNC(=O)NNC(=O)c1cccc(Br)c1O	769732199	ISCCWGMAQOKVGB-UHFFFAOYSA-N	302.128	1.119	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C1CCCC[C@H]1c1ccccc1	863188371	TUSDIQDGQKKTBN-ZDUSSCGKSA-N	308.403	1.861	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@H]2COCO2)c1C	861966433	WBQRGBBKQYQJJS-UJPCXNRSSA-N	317.389	1.911	50	20	DDGD	
CN(C)c1ccc2c(c1)NC(=O)C2=NNC(=O)CC(C)(C)C	761807272	HPPJYPOLLNATBN-UHFFFAOYSA-N	302.378	1.961	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)c1ccc2nnc(O)n2c1	763093720	YTADCIQLWAGRFE-UHFFFAOYSA-N	305.244	1.470	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(-n2cccn2)nn1)c1ccc[nH]1	760866335	LELHWTWLBGMGFX-SNVBAGLBSA-N	312.337	1.378	50	20	DDGD	
CCO[C@@H](CC(=O)NNC(=O)c1cccc(C#N)c1)C(C)C	760503317	PRGJEINNQJCVNY-AWEZNQCLSA-N	303.362	1.770	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CCCn2ccnc2C)c1	862478321	WDEKMGUTVKLQKR-UHFFFAOYSA-N	306.391	1.803	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cccc(F)n1)c1ccccc1	764198273	WLRPLEUKWDNUPD-UHFFFAOYSA-N	301.321	1.960	50	20	DDGD	
CCC[C@@H](O)CC(=O)NNC(=O)c1nc2ccccc2s1	874914349	TWWRMTZRJFCCSY-SECBINFHSA-N	307.375	1.608	50	20	DDGD	
CN1CCN(C(=O)NN=CC2([C@@H]3CCCCO3)CCC2)CC1	872368901	TZOLLTJMMWJSDR-AWEZNQCLSA-N	308.426	1.669	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2CCNC(=O)C2)c(C)c1	873759213	KOVSHJJUESDPAL-LLVKDONJSA-N	320.418	1.147	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCCCN1C[C@@H](C)C[C@@H](C)C1	875079936	BBENEWRDGVQWAX-BETUJISGSA-N	314.430	1.657	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cc2ccccc2cc1O)N(C)C	878007258	QPVZEGHJULAHSC-SNVBAGLBSA-N	301.346	1.257	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	875027795	HQFODROUFQWYEK-DMDPSCGWSA-N	305.382	1.713	50	20	DDGD	
CN1CCN(c2ccc(/C=C(\C#N)C(N)=C(C#N)C#N)cc2)CC1	771520891	PCFOCTADWXRRTI-XNTDXEJSSA-N	318.384	1.605	50	20	DDGD	
CC(C)CCn1nccc1NC(=O)NNC(=O)c1ccc[nH]1	779468737	GOAROLQVGWBEBU-UHFFFAOYSA-N	304.354	1.724	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1c(F)cc(F)cc1OC	1116099741	HDQHBUTXNVPVND-ZETCQYMHSA-N	322.333	1.329	50	20	DDGD	
COc1cc2c(cc1OC)C(=NNC(=O)CN(C)C)CCCC2	872347915	IDYPGZRZQRCTMS-UHFFFAOYSA-N	319.405	1.812	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)c1nc2ccccc2s1)C(C)C	872999842	JNBCTOVSJQYNIW-JTQLQIEISA-N	316.386	1.898	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@H]1c1ncccn1	878976962	XZIJRXZDVNCEMZ-STQMWFEESA-N	319.409	1.196	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ccc(OC)cc1O	777772922	CWSQQNKBHYZZPJ-UHFFFAOYSA-N	316.313	1.944	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1	875142079	ZEVWGMJZMLMEBZ-OCCSQVGLSA-N	320.393	1.734	50	20	DDGD	
CN(C)CC1(C(=O)NNc2cccc(C(F)(F)F)n2)CC1	878923298	YNJXWJDPAUHCDU-UHFFFAOYSA-N	302.300	1.885	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cccc(F)c2C#N)c1	777645775	WEVNIYKPIBTCEB-UHFFFAOYSA-N	308.272	1.644	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)COCc2ccccc2)o1	772281317	NYLGQYWZRJJQAV-UHFFFAOYSA-N	316.313	1.460	50	20	DDGD	
Cc1cn2c(=O)c(C(=O)NCCCSC#N)cnc2s1	773585023	FDWSPPCWVJYCQO-UHFFFAOYSA-N	308.388	1.399	50	20	DDGD	
C#CCOc1ccc(NC(=O)NNC(=O)C2CCOCC2)cc1	878666910	WTGUJJASXQCIPP-UHFFFAOYSA-N	317.345	1.278	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@@H]1CCS(=O)(=O)C1	777478258	STJFPAJGEDISGV-GFCCVEGCSA-N	319.386	1.421	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C1(F)CCCC1	772780753	PVOWCSCKUOEVNS-JTQLQIEISA-N	302.346	1.394	50	20	DDGD	
O=C(CN1CCSC1=O)NNc1ccc2ccccc2n1	777465236	GMHFUNGMGTXPQC-UHFFFAOYSA-N	302.359	1.847	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc(-c2noc(C(F)F)n2)cc1	773846532	GDHGWHOIFMSBSK-UHFFFAOYSA-N	311.248	1.248	50	20	DDGD	
CCC[C@H](C(=O)NNc1nccnc1OC)c1ccccn1	774462958	CFKHIAPWHPNYGP-NSHDSACASA-N	301.350	1.907	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1cc(Br)nn1C	779221214	RIGQBAQSFUOBGM-VMPITWQZSA-N	314.139	1.279	50	20	DDGD	
Cc1nn(C)c(Cl)c1/C=C(/C#N)C(=O)N=c1cc[nH]cc1	774559180	FDPUMBWZHKJDEC-YFHOEESVSA-N	301.737	1.745	50	20	DDGD	
CCOc1cnc(C(=O)NNc2ncnc3ccsc23)cn1	778999107	YVWIIIWIOBQBHW-UHFFFAOYSA-N	316.346	1.637	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1ccn(C)n1	772968653	RWHKNICVVIJOPL-SECBINFHSA-N	322.752	1.302	50	20	DDGD	
N#Cc1ccc(NNC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)nc1	888576776	JEJQQZXMUGWMAO-JHJVBQTASA-N	301.350	1.537	50	20	DDGD	
CN(C)CCn1nccc1C(=O)NNc1ccc(F)c(F)c1	885113477	BLDRYYOAEICGNV-UHFFFAOYSA-N	309.320	1.480	50	20	DDGD	
COC(=O)[C@H]1CCC[C@@H](C(=O)NNc2ncncc2Cl)C1	781837280	YAKPWQSZUIGJDQ-BDAKNGLRSA-N	312.757	1.553	50	20	DDGD	
C[C@@]1(c2ccccc2)C[C@@H]1NS(=O)(=O)CBr	782456286	YCCSCVZBMMQDGH-QWRGUYRKSA-N	304.209	1.988	50	20	DDGD	
C[C@H](O)CN(C1CCCCC1)S(=O)(=O)CBr	782453399	HNHCHRLYPNFYHG-VIFPVBQESA-N	314.245	1.684	50	20	DDGD	
Cc1ccccc1C[C@@H](C)NC(=O)NNC(=O)c1cccnn1	883155777	SMRNRHIJHIJXOC-GFCCVEGCSA-N	313.361	1.360	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2c[nH]nc2-c2ccoc2)c1	789931434	YBUAQVDYDRIYPU-UHFFFAOYSA-N	321.296	1.616	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccnc(Cl)c1F	883066817	KKZFNESJXSLTKM-UHFFFAOYSA-N	301.705	1.062	50	20	DDGD	
CCCC[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1cccnn1	883316742	JGLMOIOYRCLZKN-VXGBXAGGSA-N	305.382	1.780	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cccc(N2CCOC2=O)c1	887141708	FQHBLHFWUFXTMW-UHFFFAOYSA-N	315.329	1.208	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1cc2nn[nH]c2cc1F	781924050	VUKUELFRMACTGJ-UHFFFAOYSA-N	305.313	1.438	50	20	DDGD	
COc1ccc(C=NNC(=O)c2ccc3c(c2)OCCO3)cn1	780209754	MDOCDABDHRGFHT-UHFFFAOYSA-N	313.313	1.625	50	20	DDGD	
COC(=O)[C@H](Cc1ccc(F)cc1)NNC(=O)C1CCCC1	783568951	FINGWPPSZXURSD-AWEZNQCLSA-N	308.353	1.721	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNc1ncncc1Cl	781820561	YOWIBNKDHWUEPC-UHFFFAOYSA-N	302.725	1.464	50	20	DDGD	
CN1CCCC[C@@H](CNC(=O)NNc2ncc(F)cc2F)C1	897558099	VOPCSXHUWQCLFX-JTQLQIEISA-N	313.352	1.718	50	20	DDGD	
N[C@H]1C[C@@H](CNC(=O)NNC(=O)CCCc2ccccc2)C1	892562416	DPRUOXPQRQQVCG-OKILXGFUSA-N	304.394	1.077	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H]1Cc2ccc(F)cc21	793473768	HSRPOACBWNFXTE-AWEZNQCLSA-N	314.316	1.935	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	792812909	LLCSDPDNADDTQX-HZMBPMFUSA-N	324.377	1.526	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)CCN(CC)CC)on1	792941635	FDHLZWOYBGCMDY-UHFFFAOYSA-N	310.354	1.033	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ncccc2Cl)cc1	794261633	NTHRTZYADWUPIG-UHFFFAOYSA-N	300.705	1.681	50	20	DDGD	
CN1CCCC(C)(C)[C@H]1CNC(=O)NNC(=O)c1ccccc1	790497630	ODWRRLATFRLQRS-CQSZACIVSA-N	318.421	1.751	50	20	DDGD	
COc1ccc(/C=C(\C#N)S(N)(=O)=O)cc1Br	798232342	RQKUINQFFZBLFQ-XBXARRHUSA-N	317.164	1.611	50	20	DDGD	
C#CCOc1ccccc1NC(=O)NNc1nc2ccccn2n1	792398499	ZKFMCHSNNWMZFZ-UHFFFAOYSA-N	322.328	1.890	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21	794622067	VJWGMQHCJLEIIY-YNEHKIRRSA-N	309.410	1.265	50	20	DDGD	
O=C(NNC(=O)c1cn2c(n1)CCCC2)c1ccc(Cl)nc1	799559674	LDVJHLNQKVYHKR-UHFFFAOYSA-N	319.752	1.343	50	20	DDGD	
C/C(NNC(=O)C[N+](C)(C)C)=C1/C=C(Cl)C(Cl)=CC1=O	794457882	VZGSNDLBVYKQIJ-UHFFFAOYSA-O	319.212	1.416	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)Cc3ccncc3)cc2n1C	793601474	KEPAAHAQGGCECF-UHFFFAOYSA-N	323.356	1.280	50	20	DDGD	
CCC[C@H](C(=O)O[C@H](C)C(=O)NNC(=O)CC)c1ccccn1	799534139	FWRVXPNVWWKXOC-NEPJUHHUSA-N	321.377	1.454	50	20	DDGD	
C[C@@H]1CC(NC(=O)NNc2nncc(N)c2Cl)C[C@@H](C)O1	1319770231	XETFUHYVFPBBEF-RNFRBKRXSA-N	314.777	1.294	50	20	DDGD	
Cc1n[nH]c(C)c1CCC(=O)NNc1nncc(N)c1Cl	1319220892	WZGUBQPERGZNAX-UHFFFAOYSA-N	309.761	1.128	50	20	DDGD	
Cc1ncncc1C(=O)NNC(=O)NCCc1cccs1	1317995489	XCDYLQCAUVWZRT-UHFFFAOYSA-N	305.363	1.033	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCC(=O)N1CCCC1	1320209697	JBACHRWMUMWXHU-SNVBAGLBSA-N	305.216	1.535	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1c(C)ccnc1O	1324087608	YUFXJJCXVUSEKD-UHFFFAOYSA-N	315.329	1.108	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1n[nH]c2c1CCCC2)C(C)(F)F	1324254785	YOLYKNSIXYZQSU-SSDOTTSWSA-N	300.309	1.341	50	20	DDGD	
CSSCCNC(=O)[C@@H]1CC12CCS(=O)(=O)CC2	1321899876	GENVEGVQNDVQFS-VIFPVBQESA-N	309.478	1.329	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C1CCNCC1)[C@@H](C)c1ccccc1	1325311020	MFVKRTAZBYEHLU-OLZOCXBDSA-N	318.421	1.509	50	20	DDGD	
CC(=NNC(=O)C[n+]1ccccc1)c1ccc2c(c1)OCCO2	1328384733	PROZXGCLBUQYGB-UHFFFAOYSA-O	312.349	1.286	50	20	DDGD	
CN[C@@H](C)CCNC(=O)NNC(=O)Nc1ccc(Cl)cc1	1325323890	KSFIHOLOAIFKAF-VIFPVBQESA-N	313.789	1.674	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)c2cn[nH]c2)[C@H]1c1cccnc1	1329757945	AKYNXYPNAOFCOB-LBPRGKRZSA-N	314.349	1.242	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2CCCN2CC(C)C)n1	1335838659	DQMTZQIHLOQFPE-GFCCVEGCSA-N	307.398	1.357	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1CCC(=NNC(=O)c2cc[nH]n2)C1	1335347009	JUZWLFQUCURRCX-SECBINFHSA-N	307.354	1.573	50	20	DDGD	
C#CCN(C)CCCNC(=O)NNc1ccc(C(C)(C)C)nn1	1330852395	BFABXVZCDZKJAH-UHFFFAOYSA-N	318.425	1.355	50	20	DDGD	
C[S@](=O)CCCNC(=O)NC[C@@]1(C)C[C@@H]1Br	1339770590	BQMKAHANFVUSSB-XDBGJTNISA-N	311.245	1.228	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21	1341279923	IGSUKSPIWOQMHD-HQCMNVCHSA-N	315.373	1.080	50	20	DDGD	
CC(C)CC(=O)N1CCCC[C@@H]1C(=O)NNc1ccccn1	1346735427	PSNMTUIBVMMCJR-CYBMUJFWSA-N	304.394	1.952	50	20	DDGD	
C[C@]1(CNC(=O)CCSCCCN)C[C@H]1Br	1263164297	QMPGNBORZURFJP-MWLCHTKSSA-N	309.273	1.748	50	20	DDGD	
CCc1noc(CC)c1CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	1261453081	URWNUPYLQHIDNT-VHSXEESVSA-N	324.381	1.055	50	20	DDGD	
Cn1ccc(NNC(=O)[C@@H]2CCN(c3ccccc3F)C2)n1	1345198425	RQJYHYIBRNPPAT-LLVKDONJSA-N	303.341	1.529	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NNc2nncc(N)c2Cl)C1	1351284677	SCTIXLDAOWRVFK-XPUUQOCRSA-N	321.772	1.245	50	20	DDGD	
CCN(CC)CC[C@@H](C)NC(=O)NNc1nc2ccccn2n1	1521559668	PABNAUMTQNMASB-GFCCVEGCSA-N	319.413	1.476	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)Nc1ccc(C(=O)O)nn1	1601554316	VZGZSSVCGMALDA-UHFFFAOYSA-N	309.232	1.602	50	20	DDGD	
O=C(O)CCC(Cc1ccccc1)=NNC(=O)c1cnccn1	1606103691	MLVUZJPMWFMWDL-UHFFFAOYSA-N	312.329	1.670	50	20	DDGD	
CN(NC(=O)/C=C\c1ccc(C(=O)O)o1)C(=O)OC(C)(C)C	1604195556	RFUZHPAQXBHSBB-VURMDHGXSA-N	310.306	1.889	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2cc(C(=O)O)co2)c1	1600544815	JQPJQCGWDKHGQW-UHFFFAOYSA-N	318.285	1.126	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H](O)c2ccc(Cl)cc2)nc1	1608903789	PBTBTKJGYXHWLD-GFCCVEGCSA-N	321.720	1.610	50	20	DDGD	
C[C@@](O)(Cc1ccccc1)C(=O)NNc1cccc(C(=O)O)c1	1609787210	ACPTWEXYCJUJBS-QGZVFWFLSA-N	314.341	1.822	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)CC1CCOCC1	1607139885	FAFUPDNOJWFGMV-UHFFFAOYSA-N	308.334	1.653	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1ccsc1C(=O)O	1601292123	IYLPHWJHCYYVII-UHFFFAOYSA-N	318.354	1.840	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2C[C@@H](C(=O)O)C2)c1	1607857538	XAPYLVSVKCMABM-AOOOYVTPSA-N	307.375	1.423	50	20	DDGD	
COCC(=NNC(=O)[C@H]1CCCO[C@H]1c1nccn1C)C1CC1	1549311836	UDWFLBZHTUDJEG-GXTWGEPZSA-N	320.393	1.416	50	20	DDGD	
O=C(O)C(=O)NN=Cc1ccc(-n2cnc3ccccc32)cc1	1610713973	AXMBITXTJFEJHW-UHFFFAOYSA-N	308.297	1.560	50	20	DDGD	
NC(=O)c1csc(C(=O)NNc2cccc(F)c2C(=O)O)c1	1610642646	UUNRTJQABDTNRL-UHFFFAOYSA-N	323.305	1.441	50	20	DDGD	
CSCC[C@H](N)CC(=O)NNc1nc2ccncc2s1	1579381835	DMADZAJWDTZPRR-QMMMGPOBSA-N	311.436	1.605	50	20	DDGD	
COc1cccc([C@@H](N)C(=O)NNc2cc(Cl)ccn2)c1	1579264321	MCNFLKJUOYITOD-CYBMUJFWSA-N	306.753	1.887	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@]2(c3ccccc3)C[C@@H]2Br)CCN1	1576763440	SMSFMANYWNNXGG-ZLDLUXBVSA-N	323.234	1.912	50	20	DDGD	
CC(=O)NC1CCN(C2CCN(C(=O)[C@H](F)Cl)CC2)CC1	1834548190	FSYLLBLHVXKJTD-ZDUSSCGKSA-N	319.808	1.112	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCCO1)c1cccc(-c2nn[nH]n2)c1	1588773118	SZZFCUWYGWREQV-CYBMUJFWSA-N	314.349	1.276	50	20	DDGD	
C=C[C@@H]1OCCC[C@H]1NC(=O)NNc1cccc(C(=O)O)c1	1588913727	KQJSFNQHXYNWRW-OLZOCXBDSA-N	305.334	1.745	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1coc(/C=C\C(=O)O)c1)C1CC1	1589121803	WYGAFCKZPXNEEQ-LGYSABEFSA-N	323.374	1.285	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)C1(n2cccn2)CCNCC1	1580736920	CJISFMROSLANSX-UHFFFAOYSA-N	321.331	1.383	50	20	DDGD	
O=C(O)C1(C(=O)NNc2ncnc3ccsc23)CC=CC1	1594866937	FIMNYNWYFPXGQZ-UHFFFAOYSA-N	304.331	1.555	50	20	DDGD	
CCOC(C)(C)CNC(=O)NNc1cccc(C(=O)O)c1F	1596768755	PHLQPFFNPPHAEA-UHFFFAOYSA-N	313.329	1.965	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)cc(C)c1C(=O)NNc1ccccn1	1591839098	PJIDQAQCNFIBAU-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)c([N+](=O)[O-])c1	1599598201	PMNMERQJXCPRMK-DTWKUNHWSA-N	323.305	1.547	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)C1CCC(=O)CC1	1599376215	NGHOTZDJYLFHEO-UHFFFAOYSA-N	306.318	1.596	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H](C(=O)O)C(C)(C)C	1594144534	UELYSRBPFJKDRF-ZDUSSCGKSA-N	322.361	1.132	50	20	DDGD	
C[C@H]1CC(=O)CC[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1590182194	ZMBVTXQEXLIGQO-ZANVPECISA-N	314.349	1.315	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNc2ccc(F)c(C(=O)O)c2)nn1	1590593238	CEXBGAOLHMQKRD-UHFFFAOYSA-N	321.312	1.627	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(C(=O)O)cc1F)c1cnn(C)c1	1593101261	AWDXBNWBBVAQDS-MRVPVSSYSA-N	321.312	1.645	50	20	DDGD	
CC(C)[C@H](F)C(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1590996599	PCVXCQCHOIMXAA-JTQLQIEISA-N	303.359	1.574	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)NNc1ccc(C(=O)O)c(F)c1	1594195873	DIKSIRDEMPNEIF-KCJUWKMLSA-N	308.309	1.972	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(C(=O)O)cc2F)n1	1599394468	LSLHAIAZVXPJLD-UHFFFAOYSA-N	320.280	1.388	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1ccccc1C(=O)O	1594780504	SXIGQLNVDOUPBB-UHFFFAOYSA-N	300.274	1.246	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1ccc(F)c(C(=O)O)c1	1596932438	YIVTYGCFUKCEQG-VIFPVBQESA-N	314.313	1.409	50	20	DDGD	
N#C/C(=C/c1ccc(C(=O)O)cc1[N+](=O)[O-])C(=O)NC1CC1	1776128299	VQDPOBDXZQGGOI-YHYXMXQVSA-N	301.258	1.479	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2ccc(C(=O)O)nc2)ccn1	1776043834	CBPGQVJEHRGFOD-UHFFFAOYSA-N	313.317	1.005	50	20	DDGD	
CC(=NNC(=O)C[n+]1ccccc1)c1ccc(CC(=O)O)cc1	1776058268	RXECUBKPOCJFMG-UHFFFAOYSA-O	312.349	1.142	50	20	DDGD	
CCn1nccc1C(C)=NNC(=O)c1cccc(C(=O)O)c1	1776096186	OSQUYUBTJXSIBH-UHFFFAOYSA-N	300.318	1.755	50	20	DDGD	
CCONC(=O)NNC(=O)c1ccc(COc2ccccc2)o1	11608638	SOSATSLUPRTGCI-UHFFFAOYSA-N	319.317	1.754	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2C1)c1ccccc1F	16961160	LUYMSUXUMWPQMJ-GFCCVEGCSA-N	314.316	1.838	50	20	DDGD	
Cc1nc(Cl)ccc1C(=O)NNC(=O)NCc1ccco1	161408508	FVGLHSQDUPNJJT-UHFFFAOYSA-N	308.725	1.781	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CNc2c(C)cccc2C)[nH]n1	151216889	KFBQEXGTMKIHBE-UHFFFAOYSA-N	301.350	1.208	50	20	DDGD	
N#Cc1cccc(NNC(=O)N[C@H]2CCN(c3ccccn3)C2)c1	153319241	DVDWKBBOWCYKFG-HNNXBMFYSA-N	322.372	1.858	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCC(Cn2ccnn2)CC1	154822268	YCAWJQQAUBSUHW-UHFFFAOYSA-N	320.846	1.339	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCCc1nc2ccc(F)cc2n1C	159474947	MJPQPYASHPFNJH-KHPPLWFESA-N	316.336	1.815	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1ccc(OC)c(O)c1	208672035	DCCCQRXCPQKATA-LCYFTJDESA-N	304.346	1.851	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccccc1SCC(N)=O	7707570	OVWRQJYJBVKADB-CSKARUKUSA-N	305.359	1.646	50	20	DDGD	
O=C(CCc1cccc(F)c1F)NNC(=O)Cc1cccnc1	103423210	VVTWDHNOBYTPPW-UHFFFAOYSA-N	319.311	1.683	50	20	DDGD	
CCOCCNC(=O)NNC(=O)Cn1ccc2ccccc21	104787105	VYYHEMGCGLCOST-UHFFFAOYSA-N	304.350	1.008	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)c2ccccc2)C1	174368138	ICTCLEXCUUIKNY-QWHCGFSZSA-N	304.346	1.427	50	20	DDGD	
CCc1nc(C(=O)NNc2cccc(S(C)(=O)=O)c2)co1	118970368	WIVLZMSENZTYJP-UHFFFAOYSA-N	309.347	1.397	50	20	DDGD	
CN(C)N(C(=O)c1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1	58584364	OWDAVIWMMPUQJY-SNVBAGLBSA-N	318.345	1.071	50	20	DDGD	
CCCCNC(=O)NNC(=O)CNC(=O)c1cc(C)cc(C)c1	64426673	RRPGYUVLGJORNM-UHFFFAOYSA-N	320.393	1.164	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1cccc2ncccc12	65176537	DCUYIQMPUKGQCS-UHFFFAOYSA-N	310.313	1.972	50	20	DDGD	
COc1ccc(C(C)=O)cc1CC(=O)NNc1cnccn1	114879323	SWFMDCUIOCWAMS-UHFFFAOYSA-N	300.318	1.374	50	20	DDGD	
CC(=O)CCCC(=O)NNC(=O)COc1cc(C)cc(C)c1	178017770	MDKNZOTYNOASEO-UHFFFAOYSA-N	306.362	1.589	50	20	DDGD	
COc1cc(CCC(=O)NNC(=O)CC(C)C)cc(OC)c1	24608523	HDSSDFZSTLVAHY-UHFFFAOYSA-N	308.378	1.830	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)NC2CCCC2)c1OC	65920892	YEHSIJUKLWUNTG-UHFFFAOYSA-N	307.350	1.590	50	20	DDGD	
Cc1cc(C)cc(C(=O)NCC(=O)NNc2ccnc(F)c2)c1	119846838	KMHHLCZGINERND-UHFFFAOYSA-N	316.336	1.711	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ccc(F)cc2)cc1	172272239	SZURJSAXNYAGLO-UHFFFAOYSA-N	303.293	1.916	50	20	DDGD	
Cc1c(C(=O)NNC(=O)OC(C)(C)C)cnn1-c1ccccn1	67954219	JBNNHMWDJQTULB-UHFFFAOYSA-N	317.349	1.745	50	20	DDGD	
CN(C)CC(=O)NNC(=O)C(C)(C)Oc1cccc(Cl)c1	113424688	QCPBSRYEGDBRPV-UHFFFAOYSA-N	313.785	1.206	50	20	DDGD	
COCCOc1ncccc1C(=O)NNC(=O)OC(C)(C)C	64705956	TVOLIJYVLBZGHB-UHFFFAOYSA-N	311.338	1.276	50	20	DDGD	
COCCC[C@H](C)C(=O)NNC(=O)c1c[nH]c2ccccc12	182637493	DIKSZADAPPLXES-NSHDSACASA-N	303.362	1.992	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc(Cn2cccn2)cc1	120685600	FXOGDGRIKMWGHH-UHFFFAOYSA-N	323.356	1.345	50	20	DDGD	
Cc1nscc1C(=O)NNC(=O)Cn1ccc2ccccc21	181950862	WJOPBQAUMNXNDC-UHFFFAOYSA-N	314.370	1.867	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3cnn(C)c3)[nH]n2)cc1	127079397	AQNZKCFDHXDLPP-UHFFFAOYSA-N	324.344	1.193	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2cccc3c2CCCC3)CC1=O	120026122	FOHLZOXHTXJRSE-ZDUSSCGKSA-N	301.390	1.877	50	20	DDGD	
C[C@H]1CCCCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1	187918991	SCBXIXCQSHYLRK-LBPRGKRZSA-N	307.369	1.709	50	20	DDGD	
Cc1ccc(CCNC(=O)NNc2nc3ccccn3n2)cc1	189024414	CLGRIVSUOTUEDK-UHFFFAOYSA-N	310.361	1.907	50	20	DDGD	
C=C[C@@](C)(CCOC)C(=O)NNC(=O)c1ccc(C#N)cc1	187612227	JXQHRWIFMRWIMV-INIZCTEOSA-N	301.346	1.548	50	20	DDGD	
O=C(CN1CSCC1=O)NNc1ncc(Cl)cc1Cl	132927618	CCVDFCOQPKHPFV-UHFFFAOYSA-N	321.189	1.364	50	20	DDGD	
COC(=O)[C@@H]1C[C@H](F)CN1CCI	379368696	YXCPBRVCIMHMSM-BQBZGAKWSA-N	301.099	1.007	50	20	DDGD	
C=CCC1(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)CCC1	191954786	BKDGECRKWYMSRD-ZIAGYGMSSA-N	323.437	1.380	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(C)nc2onc(C)c12	132190317	UAROURHKBLMQRV-UHFFFAOYSA-N	314.305	1.395	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	192930616	QOXMWZPOUZBWIU-SFYZADRCSA-N	316.279	1.126	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)NC1CCN(CC2CC2)CC1	193767751	LQWWPISEDOUBBM-UHFFFAOYSA-N	324.816	1.631	50	20	DDGD	
Cc1cn2c(=O)c(C(=O)NNc3cccc(F)c3)cnc2s1	89335141	KAOGXBMTGZPZPA-UHFFFAOYSA-N	318.333	1.960	50	20	DDGD	
CCCOc1ccc(CCC(=O)NNC(=O)C(C)(C)O)cc1	190076354	RSTWQWIMTQHMAC-UHFFFAOYSA-N	308.378	1.326	50	20	DDGD	
Cc1ccc2ncc(C(=O)NNc3ccc(F)cc3)c(=O)n2c1	193170147	KUDXXAFEKBJDCJ-UHFFFAOYSA-N	312.304	1.899	50	20	DDGD	
COc1ccnc(NNC(=O)NCCCN2CCC(C)CC2)n1	45122586	MHZLWCKHOUNWCO-UHFFFAOYSA-N	322.413	1.233	50	20	DDGD	
O=C(CC1CCCCC1)NCC(=O)NNC(=O)CC1CCCC1	195206678	BJXDYESFDITOJO-UHFFFAOYSA-N	323.437	1.801	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C[C@H]2CCCOC2)c1	194997832	ULKGBGJRBZXQER-CQSZACIVSA-N	320.389	1.646	50	20	DDGD	
CNS(=O)(=O)c1ccc(C(=O)NNc2cc(C)ccn2)cc1	88422109	RZUHEEIPAFBCRT-UHFFFAOYSA-N	320.374	1.055	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1c(F)cccc1F	98106021	YKTOVVHNZUEPDX-UHFFFAOYSA-N	320.295	1.977	50	20	DDGD	
O=C(/C=C\c1cccnc1)NNC(=O)NCCc1cccs1	255390669	LLILHWHNTZCXDF-WAYWQWQTSA-N	316.386	1.729	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NC2CC(C)C2)cc1	267933952	APZLZILKVOWLSA-UHFFFAOYSA-N	305.378	1.757	50	20	DDGD	
CCCC[C@@H](COC)NC(=O)NNC(=O)c1ccccc1OC	265499510	ZBHFUDUKFMSRGK-LBPRGKRZSA-N	323.393	1.844	50	20	DDGD	
COC(=O)c1cc(OC(=O)[C@H]2C[C@H]3CC[C@H]2O3)ccc1[N+](=O)[O-]	265059231	HOTJRXILZNVTRQ-YDEJPDAXSA-N	321.285	1.854	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccccc2O)c(C)n1C	264595450	WUGWFVMWFSWQGK-UHFFFAOYSA-N	317.345	1.188	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)c2cocn2)cc1OC	264311800	VDRYLIYLWBOHSW-UHFFFAOYSA-N	319.317	1.547	50	20	DDGD	
CC(C)C1(CNC(=O)NNc2nc(O)c3cnn(C)c3n2)CC1	269264670	CNKSQZHHLITMJW-UHFFFAOYSA-N	319.369	1.131	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(F)c(OC)cc1OC	275988766	DTODJQCXSPBFSR-UHFFFAOYSA-N	314.317	1.541	50	20	DDGD	
COc1cc(C(=O)NNC(=S)NCCSC)ccc1C	271308493	RZLXRMIUHUOPDD-UHFFFAOYSA-N	313.448	1.476	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(F)(F)c1c(F)cccc1F	272667101	JCLLFUXFVLQNGC-UHFFFAOYSA-N	307.247	1.749	50	20	DDGD	
C[C@]1(C(=O)NNc2nc(O)c3ccccc3n2)CCCOC1	272666885	JFRSVQWBJRERBZ-HNNXBMFYSA-N	302.334	1.595	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(OC)c1C	274024359	BCWMMENJSUBZRD-SECBINFHSA-N	321.377	1.444	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNC(=O)CC(C)C)cc1	274112742	FQSUITQWUUHPTK-UHFFFAOYSA-N	307.350	1.217	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1ccccc1OC(C)C	274148758	KRFWJEKKGMVLIX-UHFFFAOYSA-N	321.377	1.606	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cn1ccc2ccc(Cl)cc21	271352419	LPMGHQSIVXLFHH-UHFFFAOYSA-N	308.769	1.987	50	20	DDGD	
COc1ccc(C(=O)CC(C)(C)CC(=O)NNC(C)=O)cc1	273617421	ZZYZQXCDAYTVDJ-UHFFFAOYSA-N	306.362	1.852	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H](C(=O)NNC(=O)c2ccccc2O)C1(C)C	275513458	XQDRTSJBJUXCQG-PWSUYJOCSA-N	318.373	1.795	50	20	DDGD	
CN1CCC(=O)Nc2cc(C(=O)N3CC=C(C#N)CC3)ccc21	371615940	JRMPJEBVAVDTPT-UHFFFAOYSA-N	310.357	1.761	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)c1ccc2c(c1)OCCO2	282622529	RUMBCECBKBDQTC-IMSIIYSGSA-N	320.345	1.032	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@@H]2COc3ccccc32)nc1	289450223	TUBPRDAZKOWODW-LLVKDONJSA-N	314.345	1.893	50	20	DDGD	
COC(=O)Cc1cccc(S(=O)(=O)N2CC=C(C#N)CC2)c1	289561129	UZCFYLPTTPKRPY-UHFFFAOYSA-N	320.370	1.246	50	20	DDGD	
CN(C)CC(=O)NNC(=O)CC(C)(C)CC(=O)c1ccccc1	282061967	QJAVCLMCQLLXKB-UHFFFAOYSA-N	319.405	1.385	50	20	DDGD	
CSSCCNC(=O)CNC(=O)c1ccc(F)cc1	285717507	NYWHUDPWTUCYKQ-UHFFFAOYSA-N	302.396	1.683	50	20	DDGD	
CCN1C[C@H](C(=O)NNc2ccc3c(O)nccc3c2)CC1=O	285777082	SICGYOCHUHIBEH-LLVKDONJSA-N	314.345	1.252	50	20	DDGD	
N#C/C(=C\c1cnn(CC(F)F)c1)C(=O)NC[C@@H]1CCCO1	292357828	QPVWNUXEOACMJP-QNCMIEPLSA-N	310.304	1.350	50	20	DDGD	
Cc1ccc(NC(=O)NNc2cccc(F)n2)cc1C(N)=O	806253544	FEBJEWYYXKDAFV-UHFFFAOYSA-N	303.297	1.777	50	20	DDGD	
CCc1nc(C)c(CNC(=O)NNc2nc(C)cc(C)n2)o1	293676595	MYCWJQJLXMQPBH-UHFFFAOYSA-N	304.354	1.779	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1cc(CN2CCCC2)on1	291969026	SJNWZXWTFJXYOZ-UHFFFAOYSA-N	305.313	1.561	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CC(F)(F)F)c(C)c1OC	805166083	ANATXIVOCAMAKN-UHFFFAOYSA-N	320.267	1.726	50	20	DDGD	
CSSCCNC(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1	807225632	DKJJBSIORVIFQZ-NSHDSACASA-N	321.512	1.484	50	20	DDGD	
COc1ccc(/C=C(\C#N)S(=O)(=O)N(C)C)c(C)c1OC	806573003	UUNDNWOWGKERGR-XYOKQWHBSA-N	310.375	1.768	50	20	DDGD	
O=C(NNC(=O)c1ccnc(O)c1)Nc1cc(F)cc(F)c1	802005517	LEWHPUPSJDGZGX-UHFFFAOYSA-N	308.244	1.532	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cccc(F)n2)c(F)c1	804769603	JQLQLJLNBJICFW-UHFFFAOYSA-N	307.256	1.903	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(F)c(C(C)=O)c1	806976179	HQLDLDMPNHGRLB-QMMMGPOBSA-N	323.324	1.160	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)N[C@@H]1CCc2ccccc21	296574428	LXEBRKCIHFCBQC-ZIAGYGMSSA-N	303.362	1.573	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cnn2cccnc12	805374653	OXAFABQHIBYYHR-UHFFFAOYSA-N	312.289	1.703	50	20	DDGD	
CCCCC[C@](C)(CC)C(=O)NNC(=O)N1CCN(C)CC1	807380063	NVPVDEFLVUNCSL-INIZCTEOSA-N	312.458	1.971	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)C[C@@H]2OCCc3ccccc32)O1	294415452	YJBFMLPUHMROOO-CQDKDKBSSA-N	318.373	1.405	50	20	DDGD	
C[C@](O)(CCc1ccccc1)C(=O)NNC(=O)c1ccccn1	801101718	LDGZIZIHQQGPQR-KRWDZBQOSA-N	313.357	1.226	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cn2)c(O)c1	806527946	SNJDTQWXWYQXLW-UHFFFAOYSA-N	319.748	1.753	50	20	DDGD	
Cc1noc(C)c1C(C)(C)C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	293958202	QUUCSTVAUAPNME-KWQFWETISA-N	309.366	1.284	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc(OC(C)(C)C)cn2)cn1	293142121	WHEYJNRIWYHNAZ-UHFFFAOYSA-N	317.349	1.067	50	20	DDGD	
Cc1cnc(COCC(=O)NNc2cnnc3ccccc23)o1	806856353	DPYCSLHGYCVKKK-UHFFFAOYSA-N	313.317	1.586	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)Nc1ccc(N(C)C)cc1)C(C)C	802117885	GEVJCSTYFKTUAA-CYBMUJFWSA-N	308.382	1.576	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccn(-c2ccccc2F)n1	298419150	KWSPTXBONDXMME-UHFFFAOYSA-N	304.325	1.819	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCc1nccnc1C	296127535	HWEPIUYBXWSKEZ-UHFFFAOYSA-N	313.361	1.280	50	20	DDGD	
COCCN(C)NC(=O)c1cc(C)n(-c2nccs2)c1C	293671699	QQZOADWXNOYTHQ-UHFFFAOYSA-N	308.407	1.774	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H](O)CCSC)c1ccccc1	294678652	RPYKQBGVOKWIFQ-STQMWFEESA-N	310.419	1.442	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H](C)N2CCN(C)CC2)cc1	294371084	OQVBIZXZUGNQHM-CYBMUJFWSA-N	306.410	1.164	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1ccc2oncc2c1	814795154	VDMBRWHOZIOHSH-UHFFFAOYSA-N	301.331	1.939	50	20	DDGD	
O=C(CCCc1nnc(-c2ccccc2)o1)NNc1nc[nH]n1	816632605	QKBRTKRKJRICNL-UHFFFAOYSA-N	313.321	1.321	50	20	DDGD	
COC[C@@]1(C(=O)NNc2ccccc2C(F)(F)F)CCNC1	817916500	GKHUJYLILVOWOI-CYBMUJFWSA-N	317.311	1.775	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)c2sc(N)nc2C)cc1O	811637963	CFWQWKBKJYQREM-UHFFFAOYSA-N	320.374	1.902	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NN=C2COc3ccccc32)c1	814881965	CXGCNBVCHUXUPG-UHFFFAOYSA-N	310.313	1.567	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1CCCc2occc21	814763181	VJODQZCFCPXLEP-GFCCVEGCSA-N	305.378	1.405	50	20	DDGD	
CCOc1ccc(NNC(=O)c2cnc(C(=O)OC)cn2)cc1	817898974	CNZCIECSEXZYAN-UHFFFAOYSA-N	316.317	1.419	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCCC[C@@H]1CCCO	814864727	HXJKPSXYFHOSKG-QWHCGFSZSA-N	300.399	1.473	50	20	DDGD	
CCOCc1nc([C@@H](C)NC(=O)NNc2ccccc2)no1	812564186	OLPKYSQHVFQXMM-SNVBAGLBSA-N	305.338	1.993	50	20	DDGD	
O=C(C[C@@H]1CCc2ccccc2C1)NNC(=O)c1ccnnc1	817694321	YIGLFLGXLHTORG-GFCCVEGCSA-N	310.357	1.433	50	20	DDGD	
Cc1c(C(=O)NNc2ncncc2F)c(O)nc2ccccc12	817082254	RMIHYZMRZCHHPO-UHFFFAOYSA-N	313.292	1.935	50	20	DDGD	
Cc1c(Cl)c(C(=O)NNC(=O)NC2CCCCC2)nn1C	817513206	NRLAGAYYPSKAPI-UHFFFAOYSA-N	313.789	1.659	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@H](CC(C)C)C(=O)O	818623291	IBUDKGWOKZJGGC-LBPRGKRZSA-N	321.377	1.686	50	20	DDGD	
Cc1nccc(CCC(=O)NNc2ccccc2[N+](=O)[O-])n1	814360158	FAFYATZNTNHIQX-UHFFFAOYSA-N	301.306	1.769	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CC[C@@H](CC(=O)O)[C@@H]1C	814854105	CPNOHURIIJMOOS-UWVGGRQHSA-N	311.382	1.284	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2ccccc2-c2nn[nH]n2)c(C)o1	826260099	WBLGNLWQXLSSFS-UHFFFAOYSA-N	310.317	1.840	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)CNC(=O)OC(C)(C)C)c1C	494727315	TXHDHBCWMNEIDM-UHFFFAOYSA-N	323.397	1.495	50	20	DDGD	
C[C@H]1CC/C(=C\C(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1	494743457	ZJAAWVJTFUOKQF-NGPGYTDTSA-N	311.382	1.405	50	20	DDGD	
COC(=O)c1occc1C=NNC(=O)CCc1ccccc1O	729934352	GZUDTFDXYRCAQA-UHFFFAOYSA-N	316.313	1.855	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C[C@H]1OC(=O)c2ccccc21	726538405	JDERCUCJRBIMRQ-CYBMUJFWSA-N	313.313	1.088	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)CC(C)(C)C)cc1Br	825727760	XBYKIUDKMLGMGX-UHFFFAOYSA-N	317.187	1.380	50	20	DDGD	
COC(=O)N(C)NC(=O)CCCNC(=O)NC1CCCCC1	495825004	LABXXQFGHIHCRU-UHFFFAOYSA-N	314.386	1.128	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)OC[C@@H]2CNC(=O)O2)cc1	495715370	HIFRRNAWBWHGLZ-GXJZLWQJSA-N	302.286	1.254	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CSC2CCC2)cc1OC	829764303	ZVZKOWKUKJZILC-UHFFFAOYSA-N	324.402	1.751	50	20	DDGD	
CN(C)CC(=O)NN=Cc1ccccc1OCc1ccncc1	727647678	BYUIFUKECHUVPJ-UHFFFAOYSA-N	312.373	1.672	50	20	DDGD	
CC(C)[C@@H]1c2ccccc2CCN1C(=O)c1cccc(B(O)O)c1	584959930	MGYIWLBZEAFHSL-GOSISDBHSA-N	323.201	1.762	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@H](c1ccccc1)N1CCCCC1=O	823960116	WCTAJEIAMZFLEL-CJNGLKHVSA-N	319.405	1.084	50	20	DDGD	
COc1cccc(CN(C)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	827316080	YYPIZQWYDRXCBF-BXUZGUMPSA-N	321.377	1.293	50	20	DDGD	
Cc1cc(/C=C(\C#N)C(=O)NCC#CCO)c(C)n1CC(C)C	490936715	BPKNRSKBSYEFQH-LICLKQGHSA-N	313.401	1.780	50	20	DDGD	
O=C1C[C@@H](C(F)(F)F)[C@@H](C(=O)NNc2ccccc2F)CN1	821148973	ZHRKKOHJUCUWRB-JGVFFNPUSA-N	319.258	1.583	50	20	DDGD	
Cc1ccc(C)c([C@@H](C)N(C)C(=O)c2cccc(B(O)O)c2)c1	584949192	KWIONWRSZQOQGL-CQSZACIVSA-N	311.190	1.816	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)/C=C/[C@H]2CCOC2)c1	493675834	RPOWIWXPOWUZDF-SYTKJHMZSA-N	318.377	1.816	50	20	DDGD	
O=C(/C=C\c1cccnc1)NNc1ccc(-n2ccnc2)nn1	492842487	RWLLNDSZVHVCIL-UTCJRWHESA-N	307.317	1.214	50	20	DDGD	
CC(=O)NNC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)OC(C)(C)C	495737253	NEUYXBNWWDWLJL-XHDPSFHLSA-N	313.398	1.627	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cc(F)cc(F)c1	826447105	NBNTYXQQFFDVCU-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N1CC[C@H](B(O)O)C1	585077682	TXKIMKWIOMYDLP-FZMZJTMJSA-N	303.167	1.018	50	20	DDGD	
CCOC(=O)NNC(=O)Cc1ccccc1Br	491226779	VSXCQXYRJJFTMP-UHFFFAOYSA-N	301.140	1.769	50	20	DDGD	
N#Cc1ccc(C(=O)NN[C@H](C(=O)O)c2ccc(F)cc2)cc1	739101728	LCJZBORJPAAIDP-AWEZNQCLSA-N	313.288	1.758	50	20	DDGD	
C[C@](O)(CNC(=O)[C@]1(C)C[C@@H]1Br)c1ccco1	906861618	XJAMRJKLGNFKQM-AXTRIDKLSA-N	302.168	1.777	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)CCC1CC1	734419712	VRKYOJYDEUASCG-UHFFFAOYSA-N	314.389	1.936	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)C[C@@H](C)c1cnn(C)c1	839472821	IUEJCMDUTKFMES-GFCCVEGCSA-N	300.362	1.683	50	20	DDGD	
CCOc1cn(-c2ccccc2)nc1C(=O)NN(C)CCOC	837621872	AEGSRZPSMYKFMD-UHFFFAOYSA-N	318.377	1.494	50	20	DDGD	
C[C@H](CN1CCOCC1)N(C)C(=O)[C@]1(C)C[C@@H]1Br	907835607	IHSPMSHCZOCMKK-NTZNESFSSA-N	319.243	1.339	50	20	DDGD	
C[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H](c2ccco2)C1	584954785	OJZCPTLXDXKKNE-WFASDCNBSA-N	313.162	1.573	50	20	DDGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cn(C)nn2)cc1OC	490662607	BXKRXNGKOBDDDS-UXBLZVDNSA-N	313.317	1.378	50	20	DDGD	
CN(C)C(=O)[C@@H]1CCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)C1	491101970	GMVWJOONXJIFTO-OZYJXZHSSA-N	313.357	1.236	50	20	DDGD	
COCC[C@]1(NC(=O)/C(C#N)=C/c2ccc(O)cc2)CCOC1	491106494	SLSLRJMASDCNSM-SHRNQRGKSA-N	316.357	1.611	50	20	DDGD	
CNC(=O)C1CCN(C(=O)[C@@]2(C)C[C@H]2Br)CC1	905575314	XEXXGBJIJJFSBR-SKDRFNHKSA-N	303.200	1.145	50	20	DDGD	
O=C(N[C@@H]1CCC[C@@H]2CCCC[C@H]21)c1cc(B(O)O)ccc1F	584992293	JLTXXIHRPOGBFF-NORZTCDRSA-N	319.185	1.594	50	20	DDGD	
Cc1nc(CCC(=O)NNC(=O)Cc2cccnc2)cs1	733104366	CTTNHWDUSFFGFW-UHFFFAOYSA-N	304.375	1.169	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cccc1[N+](=O)[O-]	831068238	ODDBJRNZLKTWGA-NXEZZACHSA-N	322.321	1.481	50	20	DDGD	
COC(=O)CC1CCN(C(=O)[C@]2(C)C[C@@H]2Br)CC1	906370691	BYNFOKGNOQINFF-GXFFZTMASA-N	318.211	1.962	50	20	DDGD	
C[C@H]1CC[C@H](CNC(=O)NNc2ncnc3ccsc23)O1	838746455	VIQUKBZTQUBPLS-DTWKUNHWSA-N	307.379	1.885	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCCO1)c1cccc(-n2ccnn2)c1	834986394	NJRYWPIEVAFJRC-HNNXBMFYSA-N	313.361	1.677	50	20	DDGD	
CCOC(=O)/C(C#N)=C/c1ccc(OCC(=O)O)c([N+](=O)[O-])c1	731664039	QEEFZNIOXFSXEU-BJMVGYQFSA-N	320.257	1.528	50	20	DDGD	
OB(O)c1cccc(-c2noc(CSCC(F)(F)F)n2)c1	585054527	WXNHNAAGBWNKBQ-UHFFFAOYSA-N	318.085	1.212	50	20	DDGD	
CCOC(=O)[C@H](CC(=O)NNc1ccc(F)cc1F)C(C)=O	830781767	IXEYAVNNRGJLIQ-SNVBAGLBSA-N	314.288	1.566	50	20	DDGD	
COc1ccc(CC[C@H](C)NCc2ccc(B(O)O)o2)cc1	585019984	UKDZWCRAAOGRLD-LBPRGKRZSA-N	303.167	1.079	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=C1CCNC(=O)CC1	834925698	QMOWHYRAYBFBAJ-UHFFFAOYSA-N	313.361	1.117	50	20	DDGD	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@H](B(O)O)C1	585073695	NJICLXJRJLIFAC-QMMMGPOBSA-N	304.033	1.667	50	20	DDGD	
CC(=O)N[C@@H](CC(=O)NNc1cnccn1)c1cccs1	734244172	SAAGEGAGNAJZQT-JTQLQIEISA-N	305.363	1.249	50	20	DDGD	
CC(C)COc1ccccc1CNCc1ccc(B(O)O)o1	585018852	UYYKDPHXBZKUDD-UHFFFAOYSA-N	303.167	1.284	50	20	DDGD	
CCN(CC(=O)NNc1ccc(C(=O)OC)c(F)c1)C1CC1	837050445	KFNIBKLHNGGFGJ-UHFFFAOYSA-N	309.341	1.540	50	20	DDGD	
COCCN(C)NC(=O)Cc1ccn(-c2ccc(F)cc2)n1	837624675	YZNSCORSYJCIER-UHFFFAOYSA-N	306.341	1.163	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)/C=C(/C)C2CC2)c1	917565806	QKZMDFBNKXHXCU-POHAHGRESA-N	304.346	1.821	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)N=c2cc[nH]cc2)CC[C@H]1C	838551184	WGXVGLURIPTYFE-MDZLAQPJSA-N	305.382	1.664	50	20	DDGD	
O=C(NN=Cc1cn2ccccc2n1)c1ccc2c(c1)OCO2	918708099	VZLPFXRPNPCXHF-UHFFFAOYSA-N	308.297	1.827	50	20	DDGD	
CC(C)(C)n1ccnc1SCC(=O)NNC(=O)c1ccc[nH]1	749561569	ASWZSOFVJIDZHS-UHFFFAOYSA-N	321.406	1.520	50	20	DDGD	
Cc1ccnc2nc(C(=O)NNc3cccc([N+](=O)[O-])c3)nn12	747994543	BSBYYXHBOGYMDL-UHFFFAOYSA-N	313.277	1.098	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cccnc2N(C)C)n1	746627238	JKEZMJZZFMPLPP-UHFFFAOYSA-N	302.338	1.012	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccn(C(C)C)n2)c(O)c1	743311809	CSOFXFPJCIRVMW-UHFFFAOYSA-N	316.361	1.482	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@H](N2CCCC2)CC1	744404116	HKDZALZFYQPUDC-AWEZNQCLSA-N	324.469	1.130	50	20	DDGD	
CS(=O)(=O)CC1(CNC(=O)NNc2ccccc2)CCC1	840475515	CQPWWRKFYKBDOO-UHFFFAOYSA-N	311.407	1.528	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc2c1ccn2C	843647761	NOTIWFKXKYWQIY-MNOVXSKESA-N	301.346	1.364	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)C1(C)CCC1	749866107	GIUNRRYCXMXXML-UHFFFAOYSA-N	314.389	1.936	50	20	DDGD	
O=C(NCC(=O)N1CCCCC1)NNc1cc(F)ccc1F	914084713	OEEVBLVJCLZXGS-UHFFFAOYSA-N	312.320	1.603	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccnn1C1CCCC1	843655718	WGBHSLDBZZMRBM-CMPLNLGQSA-N	306.366	1.184	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1=Cc2cc(F)ccc2OC1	843662232	QAEVJOWJBKESBB-NOZJJQNGSA-N	320.320	1.174	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N[C@@H]1CCC[C@H](N)C1)c1ccccc1	841980802	HDYSVXRKTYEMJL-UONOGXRCSA-N	318.421	1.565	50	20	DDGD	
O=S(=O)(CBr)N[C@@H]1CCCN2CCCC[C@@H]12	848507976	CEOMWVRDDUQSNQ-ZJUUUORDSA-N	311.245	1.275	50	20	DDGD	
CC(C)C1CCC(NC(=O)NNC(=O)c2ncccn2)CC1	841581069	LMBJVGSYXPIOPX-UHFFFAOYSA-N	305.382	1.635	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cccc(C(=O)O)c1	843047650	SZGJLWOXFIZZOM-UHFFFAOYSA-N	314.388	1.451	50	20	DDGD	
N[C@H]1CCC[C@H](NC(=O)NNC(=O)c2cc3ccccc3o2)C1	841982747	IJXRJHKEGQSFJD-RYUDHWBXSA-N	316.361	1.647	50	20	DDGD	
C[C@H](NC(=O)NNc1cc(F)ccc1F)c1nnc2n1CCC2	917457204	HRJSSCLFBVTBIO-QMMMGPOBSA-N	322.319	1.890	50	20	DDGD	
Cc1nonc1CC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	845083981	JEDQFLVOQLABAA-UHFFFAOYSA-N	316.361	1.679	50	20	DDGD	
CC(C)(C(=O)NNc1ccccc1S(N)(=O)=O)C1CCC1	842257398	MXRSMULXFZWTCJ-UHFFFAOYSA-N	311.407	1.603	50	20	DDGD	
Cc1nc2cc(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)ccc2o1	843658274	UFYVUHKAPOAMBS-KCJUWKMLSA-N	303.318	1.322	50	20	DDGD	
Cc1cc(C)c(OCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(C)c1	843645839	IMKABQSLGRCUDW-ZIAGYGMSSA-N	320.389	1.563	50	20	DDGD	
Cc1nc(NC2CC2)sc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	844145827	FXBDJPQGUCXGSG-SCZZXKLOSA-N	324.406	1.212	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C(C)(C)CNC(C)=O)cc1	844289181	ROUQIRPKGQTXLD-UHFFFAOYSA-N	305.378	1.172	50	20	DDGD	
C[C@H](CN)CNC(=O)NNC(=O)c1cccc2ccccc12	841963854	WHYPSQPJCWVGBG-LLVKDONJSA-N	300.362	1.379	50	20	DDGD	
O=C(NNc1ccccc1C(F)(F)F)[C@@H]1CCCS1(=O)=O	846764912	ZASVHWBKUGBBAO-JTQLQIEISA-N	322.308	1.726	50	20	DDGD	
Cn1c(=NNC(=O)CCCn2ccnc2)sc2ccccc21	748600862	DRJDVXDBTCJRQR-UHFFFAOYSA-N	315.402	1.849	50	20	DDGD	
C[C@H](CC(=O)NNc1ccc(C(F)(F)F)nn1)n1ccnc1	845883558	URNQNCAEQLHPFJ-MRVPVSSYSA-N	314.271	1.786	50	20	DDGD	
Cc1ccc2c(c1)O[C@@H](C)CN2CC(=O)NNC(=O)C1CC1	748833409	QNKLMVAKOYFJDP-NSHDSACASA-N	303.362	1.140	50	20	DDGD	
CCO[C@@H]1COC[C@H]1NC(=O)NNc1c(F)cc(F)cc1F	922775837	PWISBCQTAMIRMF-GHMZBOCLSA-N	319.283	1.534	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@@H]2Cc3ccccc3S2)n1	740114560	YYEFDPTZJJJTEY-LBPRGKRZSA-N	315.402	1.703	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCCC2)NNC(=O)c1ncccn1	841355228	ZXFJOAXKDIUKAR-UHFFFAOYSA-N	310.357	1.359	50	20	DDGD	
CC(C)[C@H](C(=O)O)C(=O)NNc1ncc(Br)cn1	848454497	PDAMSPNGUURKIN-ZETCQYMHSA-N	317.143	1.039	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(Cl)c(Cl)[nH]1	843973852	MCVXYEGXVVWHGV-PHDIDXHHSA-N	306.149	1.508	50	20	DDGD	
CCCN1C(=O)C(=NNC(=O)[C@@H]2CCO[C@H]2C)c2ccccc21	842554308	HQCRQQJBDDNXMG-NWDGAFQWSA-N	315.373	1.689	50	20	DDGD	
CO[C@@H](CS(=O)(=O)NNC(=O)c1ccccc1F)C(C)C	842573571	MSNAMHGKBKDDOF-LBPRGKRZSA-N	318.370	1.061	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(C)nc1Br	757739886	VAHKQPOBTIYVRL-UHFFFAOYSA-N	301.144	1.715	50	20	DDGD	
CC(C)CC(CC(C)C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1	858189093	DYTUBEBVKMYVSS-LBPRGKRZSA-N	312.414	1.056	50	20	DDGD	
COC(=O)c1cc(NNC(=O)COC[C@@H]2CCCO2)ccc1C	857267835	QKVFWNTTYNJZFV-ZDUSSCGKSA-N	322.361	1.420	50	20	DDGD	
C#Cc1ccccc1CC(=O)NN(C)C(=S)NCCCOC	854285508	MNTYQKYMMMEXBM-UHFFFAOYSA-N	319.430	1.084	50	20	DDGD	
C[C@@]1(CNC(=O)NCCc2cnccn2)C[C@H]1Br	856846839	NMTHNKXDLPBEPA-PWSUYJOCSA-N	313.199	1.492	50	20	DDGD	
CN(C)c1ccnc(CNC(=O)[C@@]2(C)C[C@H]2Br)c1	927696521	ABJZMOOCPAUGBQ-YPMHNXCESA-N	312.211	1.937	50	20	DDGD	
CC(=O)N[C@@H](CCC(C)C)C(=O)NNc1ncc(Cl)cn1	857358683	FNTQWXUVFIMHMJ-NSHDSACASA-N	313.789	1.514	50	20	DDGD	
C[C@@H](CC=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccccc1	755699418	RBAKSEOPCFIHKV-NWDGAFQWSA-N	311.407	1.220	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccccc2Cn2cccn2)o1	752779749	PRCQFCZCHNEXAJ-UHFFFAOYSA-N	324.340	1.908	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCC1(S(C)(=O)=O)CCCCC1	855769190	JXGGIVYGGVJTRQ-ZRDIBKRKSA-N	314.407	1.294	50	20	DDGD	
CCNC(=O)NNC(=O)CCCc1ccc2c(c1)OCCCO2	858781269	AVKJXLWNINJBFL-UHFFFAOYSA-N	321.377	1.521	50	20	DDGD	
C[C@@]1(CNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)C[C@@H]1Br	856718102	KFHMYHVEUZGXPU-QYTUQVAYSA-N	316.195	1.943	50	20	DDGD	
CCC(=O)c1cc(C(=O)NNC(=O)c2cccnc2)ccc1F	756847186	UGRRQECDWNJPIC-UHFFFAOYSA-N	315.304	1.888	50	20	DDGD	
O=C(NN=C/C=C\c1ccccc1)N[C@H]1CCS(=O)(=O)C1	920382103	XBFSJIXDDJVJBM-GUEVLPAJSA-N	307.375	1.172	50	20	DDGD	
COc1cccc([C@H](O)C(=O)NNc2ncc(F)cc2F)c1	857533280	QVNFAGMSBHSXFB-LBPRGKRZSA-N	309.272	1.545	50	20	DDGD	
Cc1nnc(COCC(=O)NNc2ccc(C)c(F)c2)s1	856227558	FGEVSOOIAFZHIL-UHFFFAOYSA-N	310.354	1.954	50	20	DDGD	
CCOC(=O)C(F)(F)[C@@H]1CCC(=NNC(=O)CN(C)C)C1	752735594	WROLIAADCOGXCZ-SECBINFHSA-N	305.325	1.019	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CO[C@@H]2CCC[C@H](C)C2)nc1	759739898	SKMVEPGDFSLXGO-WCQYABFASA-N	321.377	1.907	50	20	DDGD	
CC(C)[C@H](NS(=O)(=O)CBr)c1cnn(C)c1	921846185	UFYMKLOGERUUFT-VIFPVBQESA-N	310.217	1.389	50	20	DDGD	
C[C@H](CCCc1ccccc1)C(=O)NNC(=O)c1cc[nH]n1	855357960	WNHFJRRLIHBVBC-GFCCVEGCSA-N	300.362	1.830	50	20	DDGD	
COCCCN(C)CCNC(=O)NNc1cc(F)ccc1C	853786346	TZCIHWQZDDQWRN-UHFFFAOYSA-N	312.389	1.729	50	20	DDGD	
CC(C)(C)N1CC[C@@H](NC(=O)NNc2ncc(F)cc2F)C1	854313052	KLLPNLGHWAMYIO-SNVBAGLBSA-N	313.352	1.859	50	20	DDGD	
CN1C[C@@H](NC(=O)NNc2ccc(Cl)cc2F)CC1=O	921341267	VVCFTZGLXJVJHY-QMMMGPOBSA-N	300.721	1.336	50	20	DDGD	
CCc1c(C(=O)NNC(=O)CC(F)(F)F)cnn1CC(C)C	756756792	JZZQKUILDQLQAO-UHFFFAOYSA-N	320.315	1.815	50	20	DDGD	
CC1(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)CCC1	750532103	ALZBFFVKECQTHF-UHFFFAOYSA-N	315.329	1.053	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@]1(C)CCN(C(=O)OC(C)(C)C)C1	856506540	OVLPZABMUCNCMS-YBHKSSGVSA-N	323.393	1.946	50	20	DDGD	
O=C(C[C@H]1CC(=O)N1)NNC(=O)c1cc2c(s1)CCCCC2	854249668	HUKBWFVVHUWNSV-SNVBAGLBSA-N	321.402	1.057	50	20	DDGD	
COc1ccc(O)c(C(=O)NNC(=S)NCC2CCC2)c1	855093452	SJUVHIHDYCNMOR-UHFFFAOYSA-N	309.391	1.310	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2ccc(C)c(F)c2)[C@H]1OC	854006767	NKRSSAOTUKOPCD-BFHYXJOUSA-N	311.357	1.953	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccc3nnnn3c2)cc1Cl	753303108	HHXPDZFWXBQISR-UHFFFAOYSA-N	313.708	1.406	50	20	DDGD	
Cc1n[nH]cc1S(=O)(=O)NC[C@@]1(C)C[C@@H]1Br	856756101	JPHAJEVOHFYLIF-DTWKUNHWSA-N	308.201	1.170	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H]1CSCCS1)C1CC1	855099344	WSVGPDDEBSCKNH-IONNQARKSA-N	305.494	1.129	50	20	DDGD	
C[C@H](N)C1CCN(C(=O)NC[C@]2(C)C[C@H]2Br)CC1	857105731	QUTCADRBRPDNBP-NDMJEZRESA-N	318.259	1.929	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C(C)C)N(C)C(=O)OC(C)(C)C	854213595	KGNPFZUVDKFDHU-JTQLQIEISA-N	301.387	1.435	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1cccnc1N1CCCC1	855340578	OJUQSULTJCPONM-WYMLVPIESA-N	300.362	1.742	50	20	DDGD	
O=C(NCC1CC1)C(=O)NNc1nc2ccc(Cl)cc2s1	856235066	QMHFUQGYMBYMHW-UHFFFAOYSA-N	324.793	1.919	50	20	DDGD	
O=C(NCC[C@@H](O)c1ccccc1)NNC(=O)C1CCCC1	753355672	RGTZYTVUCVYJDZ-CQSZACIVSA-N	305.378	1.631	50	20	DDGD	
CC[C@H]1CCCC[C@H]1OCC(=O)NNc1nnc(C)c(O)n1	768691284	QZRSMUJNESBIAN-WDEREUQCSA-N	309.370	1.314	50	20	DDGD	
Cc1csc(C(=O)NNS(=O)(=O)C[C@H]2CCCCO2)c1	863413986	PDMDWGNJMPCQPX-SNVBAGLBSA-N	318.420	1.190	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccc(F)cn1)CC1(C)OCCO1	868858315	KSZQWHGUETVUNK-SNVBAGLBSA-N	312.345	1.636	50	20	DDGD	
COc1ccc(NNC(=O)COc2cc(C)on2)c([N+](=O)[O-])c1	768335861	QTKIIFSBNAAYTE-UHFFFAOYSA-N	322.277	1.422	50	20	DDGD	
COc1cc(Cl)ccc1C(C)=NNC(=O)[C@@H]1CCC(=O)N1	863151209	IHMGUEPSONPYPV-NSHDSACASA-N	309.753	1.467	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccn(C)c2)c2ccccc2n1	763746532	OYXWFXPXUGMJNY-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1nn(C)c2ccccc12	934438298	NYXARGJPIQDXGD-VHSXEESVSA-N	317.349	1.151	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1cncc(N2CCCC2)n1	868373538	PWQWQMKJMYYJDY-UHFFFAOYSA-N	303.193	1.953	50	20	DDGD	
C[C@@H](CC(=O)NN[C@H](C)C(F)(F)F)NC(=O)C1CCCC1	862313034	WVPOTOHKLFVFHG-DTWKUNHWSA-N	309.332	1.643	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1cc(Br)ncc1F	762427487	UXPRXIJSESJZHF-UHFFFAOYSA-N	317.162	1.385	50	20	DDGD	
COC1CC(C(=O)NNC(=O)NCc2ccc(Cl)cc2)C1	861220570	ZTWHBZSZTYDNJN-UHFFFAOYSA-N	311.769	1.595	50	20	DDGD	
Cc1nnc(NNC(=O)C(C)(C)c2ccc(Cl)cc2)nc1O	768929202	WQNVIBQMHPZNRT-UHFFFAOYSA-N	321.768	1.960	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2CCCN2Cc2ccccn2)n1	862522864	KBFNQIPIUFPGSX-HNNXBMFYSA-N	311.389	1.893	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O	867166872	OZHGPKJVKPJUQU-DCAQKATOSA-N	322.858	1.167	50	20	DDGD	
COCc1ccc(NC(=O)C(=O)NNc2ccc(C)nn2)cc1	1116807321	CYKPEZVRSHPKHW-UHFFFAOYSA-N	315.333	1.013	50	20	DDGD	
CCCC(=O)N1CSC[C@H]1C(=O)NN[C@@H](C)C(F)(F)F	862312294	IVMVHBOAYBXXNH-YUMQZZPRSA-N	313.345	1.260	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1coc(C2CC2)n1	763249638	FAZAZISQQKVZSR-UHFFFAOYSA-N	312.289	1.754	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)C(=O)Nc1ccccc1Cl	763465974	DZKXTMWUEQNHQB-UHFFFAOYSA-N	318.720	1.135	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C1CCOc2ccccc21	763200565	ZFCOZJKMQJWWRN-UHFFFAOYSA-N	324.340	1.114	50	20	DDGD	
O=C(NCc1nnc2n1CCC2)NNc1cccc(F)c1Cl	875037924	FJTCVJKLCNPOSW-UHFFFAOYSA-N	324.747	1.843	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNC(=S)Nc1ccc(C)cc1C	873758615	UKQFAPFOORXGQS-LLVKDONJSA-N	322.434	1.536	50	20	DDGD	
COCC(=O)NN=Cc1cccc(CNC(=O)OC(C)(C)C)c1	872356819	DSFDADOYAUZPMT-UHFFFAOYSA-N	321.377	1.808	50	20	DDGD	
CC[C@H](C)n1nc(C(=O)NNc2nnc(C)c(O)n2)cc1C	778505145	WEDXMDGQHZEMTN-ZETCQYMHSA-N	305.342	1.118	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)COc1ccc([N+](=O)[O-])c(F)c1	1115910882	ZTNCUFBWSPJTJH-UHFFFAOYSA-N	313.285	1.306	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@H]1CCCCO1	772188347	ZHZQOWSGPJSEMA-VXGBXAGGSA-N	314.382	1.071	50	20	DDGD	
Cc1cc(=NNC(=O)NCC(=O)N(C)C2CCCCC2)cc[nH]1	875343482	WVMPHZVKIXVGOI-UHFFFAOYSA-N	319.409	1.229	50	20	DDGD	
COC1(CO)CCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)CC1	773250399	YZUVVSMNLZIBOA-GXDHUFHOSA-N	318.348	1.733	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2cn(C[C@H]3CCCO3)nn2)o1	872356491	PSLXCYKJJNHGIM-GFCCVEGCSA-N	303.322	1.122	50	20	DDGD	
CCO[C@H](CC)C(=O)NNC(=S)Nc1ccc(OC)nc1	874954682	ZYVZBRLNYGCMQM-SNVBAGLBSA-N	312.395	1.223	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)Nc1nc2c(s1)CCC2	878024924	ANVYHABDVAGKBR-UHFFFAOYSA-N	310.379	1.211	50	20	DDGD	
C=C[C@H](COC)NC(=O)NNc1ccc2c(=O)[nH]ccc2c1	1117395802	BTEONDFFVMJPLS-LLVKDONJSA-N	302.334	1.355	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)NC1(C(F)(F)F)CCC1	879378680	VPZGPQKENXEOGL-UHFFFAOYSA-N	302.256	1.511	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@H]1C=NNC(=O)c1cnccn1	872340504	CXFKJHKZDJYFAW-WCQYABFASA-N	314.349	1.186	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2ccc(C)o2)c(F)c1	773274482	VSTJTBUGGKYEPA-UHFFFAOYSA-N	320.276	1.589	50	20	DDGD	
CCc1cnccc1CNC(=O)NNC(=O)CC(F)(F)F	779410039	QAVQYAHMJKHKGW-UHFFFAOYSA-N	304.272	1.427	50	20	DDGD	
CN(C)c1cccc(Cl)c1C=NNC(=O)c1cnccn1	1116409859	HTCQMKBSQWXNFW-UHFFFAOYSA-N	303.753	1.960	50	20	DDGD	
CCN(CC(=O)NNC(=S)Nc1ccccc1OC)C1CC1	873770097	ZDMHLIGSLHEMSE-UHFFFAOYSA-N	322.434	1.497	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1ncnc2ccsc12	779815694	RWIITUAZKXULJM-UHFFFAOYSA-N	307.379	1.441	50	20	DDGD	
CC(C)Oc1cc(NC(=O)NNC(=O)c2ccccn2)ccn1	779931077	XZDLMTIUWOZNSW-UHFFFAOYSA-N	315.333	1.730	50	20	DDGD	
CN(Cc1nc2ccccc2n1C)S(=O)(=O)CCCCl	881934218	GIXQKQBYBOJOFD-UHFFFAOYSA-N	315.826	1.964	50	20	DDGD	
O=S(=O)(CCCCl)N(CCO)[C@@H]1CCc2ccccc21	881922111	JCPOCRVMTZVYFC-CQSZACIVSA-N	317.838	1.927	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@]1(OC)CCSC1)c1ccccc1	888907576	PGOXHOODKNOZPD-XJKSGUPXSA-N	322.430	1.850	50	20	DDGD	
O=C(CCc1c[nH]c2ccccc12)NNC(=O)C1CCOCC1	883059338	TWFPGVPEOKWRGS-UHFFFAOYSA-N	315.373	1.675	50	20	DDGD	
CCn1cc(-c2n[nH]cc2C(=O)NNC(=O)CC(C)(C)C)cn1	779376863	DJKCAYKXMYWVDP-UHFFFAOYSA-N	318.381	1.490	50	20	DDGD	
O=C(NNC(=O)[C@H]1SCCc2ccccc21)C1CCOCC1	883064603	JBIFRPKNPGGWRB-AWEZNQCLSA-N	320.414	1.591	50	20	DDGD	
COC(=O)[C@@H](C)n1cccc1C=NNC(=O)c1cccc(C#N)c1	774586766	KFRYBVPZAHEFEG-GFCCVEGCSA-N	324.340	1.858	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1c(Cl)oc2ccccc12	779817354	PNOALRRTVWMJMC-UHFFFAOYSA-N	309.709	1.892	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@](O)(CC)c1cccc(Cl)c1	887148008	KTWXYIVTQXSLNF-MRXNPFEDSA-N	322.792	1.889	50	20	DDGD	
Cc1ccc(C[C@@H](CO)NS(=O)(=O)CCCCl)cc1C	882245328	HIHIGGMKBCCBBU-AWEZNQCLSA-N	319.854	1.755	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1nc2ccc(OC)cc2s1	788724648	BXRDXZKCJVJINI-UHFFFAOYSA-N	322.346	1.111	50	20	DDGD	
Cc1nc(C(=O)NN=c2cc[nH]cc2)nn1-c1ccc(F)cc1	780757391	RAIPZSQIKBOLTF-UHFFFAOYSA-N	312.308	1.289	50	20	DDGD	
CCc1nn(C)cc1S(=O)(=O)NN(C)C(=O)OC(C)(C)C	882255879	JIBDZMCHWMOPSV-UHFFFAOYSA-N	318.399	1.043	50	20	DDGD	
COC(=O)Cc1csc(NC(=O)NCCSSC)n1	789722013	MTJAZWFLVFZXFK-UHFFFAOYSA-N	321.449	1.991	50	20	DDGD	
CCOC(=O)[C@@H](CC(=O)NNc1cc(F)ccc1F)C(C)=O	885141586	HSPBYGPOANXYTO-JTQLQIEISA-N	314.288	1.566	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CCNC(=O)CC(C)C	780738053	RDJGSJXVAUGOJM-UHFFFAOYSA-N	321.377	1.469	50	20	DDGD	
Cn1cc(NC(=O)NN=c2cc[nH]cc2)c(C(F)(F)F)n1	782801870	FSDWMRROQFTNQT-UHFFFAOYSA-N	300.244	1.404	50	20	DDGD	
Cc1cc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)ccn1	789024637	CWKBACYYCRCDOF-NSHDSACASA-N	307.350	1.129	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1noc2c1CCCCC2	883068986	PTUOLKDAHOXVGM-UHFFFAOYSA-N	307.350	1.131	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H](O)C1CCCCC1	783697674	PVLHYWMVOBVOOE-AWEZNQCLSA-N	306.362	1.858	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@@H]2CC(=O)c3ccccc32)n1	789850037	NPEIJJIWLJSSHU-SECBINFHSA-N	317.736	1.526	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@H]1CC(=O)c2ccccc21	789743950	LBUDIXMXOWBZGO-ZDUSSCGKSA-N	313.313	1.480	50	20	DDGD	
COCCn1cc(C(=O)NNc2nc3ccccc3[nH]2)c(C)n1	782851826	UGEALYDFWDIMRH-UHFFFAOYSA-N	314.349	1.471	50	20	DDGD	
CC(C)(O)CCC(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	786628051	RGKYQRIMIRGAIX-UHFFFAOYSA-N	316.361	1.389	50	20	DDGD	
O=C(NN=Cc1cc(Cl)cs1)[C@H]1CCS(=O)(=O)C1	782185017	OATIDIFAAUTPMX-ZETCQYMHSA-N	306.796	1.286	50	20	DDGD	
CC/C(C)=C(\C)C(=O)NNC(=O)COc1ccccc1OC	780849562	ZRFDZGHLHKKYRH-VAWYXSNFSA-N	306.362	1.968	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cnc(Cl)cn2)c1	787914466	YCYRZUJQCXCPAQ-UHFFFAOYSA-N	306.709	1.674	50	20	DDGD	
COc1nn(C)cc1C(=O)NNc1ncccc1C(F)(F)F	895266556	GAUKWXPFYHZEKU-UHFFFAOYSA-N	315.255	1.599	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@@H]1CN1CCC[C@](O)(C(=O)N2CCCC2)C1	894367165	PYQHKDWJBKZACC-SFDCQRBFSA-N	300.830	1.309	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)NNc1nc2ccccc2n1C	899095146	FSECCGMRAXTCMB-GFCCVEGCSA-N	301.350	1.027	50	20	DDGD	
COc1cncc(C(=O)NNc2ccc(Br)nc2)n1	792331082	WHVPYBFQMUUSOJ-UHFFFAOYSA-N	324.138	1.400	50	20	DDGD	
COc1cc(C=NNC(=O)c2cccc(C)n2)cc(OC)c1O	794572503	WCNBDBGSIXABEY-UHFFFAOYSA-N	315.329	1.877	50	20	DDGD	
Cc1csc(CCNC(=O)NNc2nc3ccccn3n2)n1	790190735	PXEBLLUFJZBZED-UHFFFAOYSA-N	317.378	1.363	50	20	DDGD	
Cc1c[nH]nc1C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	799406990	JISOPCTVKZOLJR-MRVPVSSYSA-N	318.402	1.979	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)Cc2ccc(C#N)cc2)n1	793232610	ZMKKLFDQYMUAHW-UHFFFAOYSA-N	323.356	1.748	50	20	DDGD	
CC[C@H](C)CC[C@@H](O)CC(=O)NNc1cc(Cl)nc(N)n1	793801418	USTZLTILTKUXET-DTWKUNHWSA-N	315.805	1.733	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2ccccc2C)cc1O	791381588	IVDOTLOXKHXSJG-UHFFFAOYSA-N	314.341	1.849	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C2CCC(O)CC2)c1	792017368	IESHACXAAMJCPP-UHFFFAOYSA-N	322.361	1.016	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@](C)(O)Cc2ccccc2)n1	794084933	XRLKMWYMXBZCTH-KRWDZBQOSA-N	313.357	1.145	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CCc1ccc(F)cc1F	1319412243	DRLARRBJZVSINK-UHFFFAOYSA-N	301.362	1.801	50	20	DDGD	
O=C(CCl)NCCN1CCN(c2cccc(Cl)c2)CC1	1319921558	ITRVUVMFUYCYAB-UHFFFAOYSA-N	316.232	1.817	50	20	DDGD	
CN[C@@H](C)CCNC(=O)NNc1ccc(C(=O)OC)cc1F	1327486841	OPCBFOXHQRVNFV-VIFPVBQESA-N	312.345	1.236	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2cccc(Cl)n2)nc1	1324251073	ORVIOBPPELMGDC-UHFFFAOYSA-N	316.708	1.083	50	20	DDGD	
CC(C)CN(CC(=O)NNc1nc[nH]n1)C(=O)OC(C)(C)C	1328615005	BJCOGCPIHCTKBL-UHFFFAOYSA-N	312.374	1.141	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2occ(C)c2C)cc1OC	1323500945	KTCRHGLDBQZYJK-UHFFFAOYSA-N	318.329	1.988	50	20	DDGD	
O=C(NNC(=O)C1CC(F)(F)C1)c1nnc(O)c2ccccc12	1322425629	CLZJEXLQQASZBL-UHFFFAOYSA-N	322.271	1.142	50	20	DDGD	
CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)CCl)CC2	1336909963	JWOSLRUSXRCEOB-UHFFFAOYSA-N	302.783	1.113	50	20	DDGD	
CC(=NNC(=O)c1cccnn1)C1CN(C(=O)OC(C)(C)C)C1	1333657617	UPHCXLRJYXSWHD-UHFFFAOYSA-N	319.365	1.449	50	20	DDGD	
CN(CC(C)(C)O)c1nnnn1C[C@@]1(C)C[C@H]1Br	1335973800	BJSHJRMVZJXNOW-LDYMZIIASA-N	318.219	1.054	50	20	DDGD	
CC[C@@H](C)CN(C)c1ccc(F)cc1C=NNC(=O)C(=O)OC	1330775105	UFVKMRFAYFDNOU-LLVKDONJSA-N	323.368	1.931	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)C12CCC(CC1)CC2	1337103809	LOWTVTCVSWPDJP-UHFFFAOYSA-N	309.410	1.409	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)C1[C@@H]2CCCCCC[C@@H]12	1347550368	WVKZWZSOTYLZDD-CHWSQXEVSA-N	323.437	1.655	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@H]1CCCN(CC(F)F)C1	1261868369	JAPGECYRDYGSLM-QMMMGPOBSA-N	319.743	1.550	50	20	DDGD	
Cc1cc(C(=O)NNc2ccn(C)n2)c(C)n1-c1cnn(C)c1	1351205765	OQMACJZKLJMWKL-UHFFFAOYSA-N	313.365	1.318	50	20	DDGD	
CC(C)CCOc1ccc(C(=O)NNC(=O)[C@H](C)C(=O)O)cc1	1603024562	VOIXBVIALGAPDR-NSHDSACASA-N	322.361	1.593	50	20	DDGD	
O=C(NNc1cccc(F)c1Cl)NC1CC(C(=O)O)C1	1601561202	UZSVMFLAARRJDW-UHFFFAOYSA-N	301.705	1.968	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)[C@@H]2C[C@H]2C(F)(F)F)cc1	1602129185	SJLNPRPCTQNCNM-NXEZZACHSA-N	302.252	1.955	50	20	DDGD	
O=C(NCc1cccc(CO)c1)NNc1cccc(C(=O)O)c1	1601541508	UTFGEMYLZYBVAT-UHFFFAOYSA-N	315.329	1.703	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C[C@H](C)CC(=O)O)c(C)c1	1600459133	JRCXELOMPNKBIJ-NSHDSACASA-N	321.377	1.364	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNc1ccc(F)c(C(=O)O)c1	1600667981	LVBJEBDKDOBEHU-UHFFFAOYSA-N	306.297	1.550	50	20	DDGD	
Cc1c(NNC(=O)[C@@H](O)Cc2ccccc2)cccc1C(=O)O	1600055676	IAGZXWSRKSYPKM-HNNXBMFYSA-N	314.341	1.740	50	20	DDGD	
Cc1c(NNC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cccc1[N+](=O)[O-]	1600053614	LARSUIBFUHCYJF-ZJUUUORDSA-N	322.321	1.783	50	20	DDGD	
CCc1cc(CNC(=O)NNc2cccc(C(=O)O)c2)on1	1605798250	JTQMKPFJEMXCLR-UHFFFAOYSA-N	304.306	1.762	50	20	DDGD	
Cn1cc(C=NNC(=O)CCc2ccccc2O)cc1C(=O)O	1610601595	PDODVUKRZFDHQL-UHFFFAOYSA-N	315.329	1.512	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1cc(C(=O)O)ccc1Cl	1610102349	KOAVCOYDRREJKT-POHAHGRESA-N	314.750	1.794	50	20	DDGD	
CN(C)Cc1ccc(C(=O)NNc2ccc(C(=O)O)cn2)cc1	1610101290	JAPMJCKBHQKZBB-UHFFFAOYSA-N	314.345	1.598	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@H]1C(=O)NN=CC1(C)COC1	1549315679	MOJWOMBGDROGPI-NEPJUHHUSA-N	306.366	1.026	50	20	DDGD	
Cn1cc([C@H]2OCCC[C@H]2C=NNC(=O)c2ncccn2)cn1	1552454970	SWCBKVUSOAPSNV-AAEUAGOBSA-N	314.349	1.094	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)CCCCCN)c1ccccc1	1578070097	SATGLGFEHITTRN-HNNXBMFYSA-N	307.394	1.431	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](N)C2CCCCCC2)n1	1579146162	JOTIUWVSARRZPZ-CYBMUJFWSA-N	307.398	1.534	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccc2n1CCN[C@@H]2C	1575871181	ASUWZZJLDVSCNJ-LLVKDONJSA-N	314.393	1.823	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C2(CN)CCCC2)c1	1574152125	RAPWDXCMYDVBHO-UHFFFAOYSA-N	319.405	1.349	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H]1C[C@@H](C(=O)O)c2ccccc21	1588843142	AIFCUOLDHDEINO-CHWSQXEVSA-N	319.361	1.676	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C(C)(C)C(=O)O)c1	1588439674	QQZPSZMWKDESII-UHFFFAOYSA-N	305.359	1.096	50	20	DDGD	
C=C[C@@H](NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1)C(=O)O	1588700765	LCONVLFIZGXTIK-IAQYHMDHSA-N	314.341	1.867	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)C(C)=O)C2	1841667404	JELUYBFZABHBRI-LLVKDONJSA-N	300.786	1.186	50	20	DDGD	
CC(=NNC(=O)CC1CC1)c1ccc(-c2nn[nH]n2)cc1F	1588775957	TUFPSUZYMPIFGW-UHFFFAOYSA-N	302.313	1.646	50	20	DDGD	
O=C(NNc1ccccc1Cl)C1=NO[C@]2(CCCNC2)C1	1580739376	FCFBLJSTSWYYRD-CQSZACIVSA-N	308.769	1.682	50	20	DDGD	
COc1ccc(NNC(=O)Nc2cncc(C(=O)O)c2)nc1	1594105003	BPWOIUUNTJMGSS-UHFFFAOYSA-N	303.278	1.332	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)C(=O)OC(C)(C)C	1599376393	SDLYEWCSGHQROS-UHFFFAOYSA-N	310.306	1.178	50	20	DDGD	
COC[C@]1(C(=O)O)CCN(C[C@@H](CBr)C2CC2)C1	1593966204	CRUICEDPTKVYID-YPMHNXCESA-N	320.227	1.831	50	20	DDGD	
COC[C@H](NC(=O)NNc1cccc(C(=O)O)c1F)C(C)C	1599175045	VJYCRRPODJCMFC-NSHDSACASA-N	313.329	1.821	50	20	DDGD	
CSSCCNS(=O)(=O)c1ccccc1C(=O)O	1599804689	RYDZUMZLMSPISN-UHFFFAOYSA-N	307.418	1.674	50	20	DDGD	
COc1cncnc1NC(=O)NNc1ccc(F)c(C(=O)O)c1	1599727675	NFSJCDRUJUTCIJ-UHFFFAOYSA-N	321.268	1.471	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)CCOc2ccccc2)n1	15440262	XWNQADCSESYFLA-UHFFFAOYSA-N	316.361	1.116	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@@H]1CCc2[nH]ncc2C1	154416366	UZYMSRBQCOYWKX-MRVPVSSYSA-N	307.745	1.037	50	20	DDGD	
COC(=O)C[C@H](C)SCC(=O)NNC(=O)c1cccs1	78812019	VWBROGLNKCLKIO-QMMMGPOBSA-N	316.404	1.194	50	20	DDGD	
CN(C1(CO)CCC1)S(=O)(=O)c1ccc(CCl)cc1	916058323	YCKLXLNGSRIBNY-UHFFFAOYSA-N	303.811	1.961	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CCl	851892312	GYCFNVQSLFTHOE-AOOOYVTPSA-N	324.830	1.596	50	20	DDGD	
CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)CCCCl	882247098	KGCBWLVRVMJKSW-UHFFFAOYSA-N	314.835	1.402	50	20	DDGD	
CN(C)C(=O)c1ccc(C(=O)NNc2nccnc2Cl)cc1	114896134	NJWJUDMIBGYNIA-UHFFFAOYSA-N	319.752	1.589	50	20	DDGD	
N#Cc1ccsc1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	52034330	YCTVZJOZZBXKDQ-UHFFFAOYSA-N	315.358	1.296	50	20	DDGD	
COCCCN1CCC(NC(=O)NNc2ccccn2)CC1	171209388	YUQDTMGVCIAWNA-UHFFFAOYSA-N	307.398	1.209	50	20	DDGD	
NS(=O)(=O)c1cccc(CNC(=O)NNc2ccccc2)c1	114933958	AMSTXOUXYLWQIX-UHFFFAOYSA-N	320.374	1.160	50	20	DDGD	
O=C(NCc1cccc(CO)c1)NNc1cccc([N+](=O)[O-])c1	171711480	VOAPHUSBAJTSAQ-UHFFFAOYSA-N	316.317	1.913	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C1(c2cccc(Cl)c2)CC1	110759945	JWXHCLPBNBJNLE-UHFFFAOYSA-N	318.764	1.864	50	20	DDGD	
COc1ccnc(NNC(=O)Cc2ccccc2OC(F)F)n1	118312074	CPUKFGPPRLBKCB-UHFFFAOYSA-N	324.287	1.772	50	20	DDGD	
O=C(CCc1ccccn1)NNC(=O)Cc1cn2ccccc2n1	173876837	QBPJUKYCRXJLMH-UHFFFAOYSA-N	323.356	1.052	50	20	DDGD	
Cc1ccc(CCCCC(=O)NNC(=O)C(=O)NC(C)C)cc1	63636832	CFEMMPFAPJMKAZ-UHFFFAOYSA-N	319.405	1.380	50	20	DDGD	
CCOc1ncc(C(=O)NNC(=O)NC(C)C)cc1Cl	112279677	OPZXZSJSLKVCHP-UHFFFAOYSA-N	300.746	1.486	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C2[C@H]3CCC[C@H]23)c1	178096801	VZGBEPQLWQEELN-STQMWFEESA-N	303.362	1.301	50	20	DDGD	
O=C(NCCNC(=O)C1CC1)NNc1cc(F)c(F)cc1F	172126064	GFMGDZVRBBNTNY-UHFFFAOYSA-N	316.283	1.256	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccc(C[S@@](C)=O)c1	64426628	MZTZALKGGASJJS-NRFANRHFSA-N	311.407	1.309	50	20	DDGD	
COc1cccc(C(=O)NCC(=O)NNc2cccc(F)c2)c1	184092161	QRFFADFUGQIGST-UHFFFAOYSA-N	317.320	1.707	50	20	DDGD	
CC[C@@H](CSC)NC(=O)NNC(=O)Cc1ccccc1F	181496333	FWPLICWFTCDQQQ-NSHDSACASA-N	313.398	1.840	50	20	DDGD	
COc1cc(C(=O)NNc2cc(C)nc(C)n2)ccc1[N+](=O)[O-]	128841033	OMOFHXHRZKZKQI-UHFFFAOYSA-N	317.305	1.767	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H]2Cc3cc(F)ccc3O2)n1	76957798	LALCOKFWZFRITL-LLVKDONJSA-N	304.281	1.071	50	20	DDGD	
Cc1nn(C)c(-n2cccn2)c1C(=O)NNc1cccc(F)c1	187078357	KMKTVTWPEDCHFO-UHFFFAOYSA-N	314.324	1.810	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H](C)c2c(C)noc2C)n1	73234138	SMBNRRSQPLQYCP-SSDOTTSWSA-N	306.326	1.477	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1cccc(-n2ccnn2)c1	185211414	KMDJGSLVYYVJEM-UHFFFAOYSA-N	322.328	1.349	50	20	DDGD	
C[C@H](CCOc1ccccc1)C(=O)NNC(=O)c1cccnc1	72934444	JUTBVROXXJONFU-CYBMUJFWSA-N	313.357	1.948	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)COc1cc(C)ccc1C	132067863	IYRZBRDLEOVYNA-CYBMUJFWSA-N	308.378	1.645	50	20	DDGD	
NC(=O)N1CCC[C@H]1C(=O)NNc1ccc(Cl)c(F)c1	130774991	FPEUTTMQVPPZRW-JTQLQIEISA-N	300.721	1.465	50	20	DDGD	
CCC(=O)N1CCC[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2)C1	133722946	NSKFAMRDVGSMQH-NSHDSACASA-N	320.349	1.687	50	20	DDGD	
CCc1ccccc1-n1cnnc1SCC(=O)NNC(C)=O	47683965	JQCSXIUREQJUJW-UHFFFAOYSA-N	319.390	1.089	50	20	DDGD	
CCOCCCNC(=O)NNC(=O)c1c(C)nc2ccccn12	45118404	VGNVNYFWBOAJOB-UHFFFAOYSA-N	319.365	1.013	50	20	DDGD	
CC(C)COC[C@H](O)CNC(=O)/C(C#N)=C\c1ccc(O)cc1	194752980	KLPICQJLWIVQMU-ACQAZONXSA-N	318.373	1.449	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc(F)c(F)c1	94120713	TXISQXFMLBJIQC-UHFFFAOYSA-N	305.375	1.437	50	20	DDGD	
CCOc1ccccc1C(=O)NNC(=O)C(=O)NC(CC)CC	265894481	RLZTWLXZXXMXLA-UHFFFAOYSA-N	321.377	1.151	50	20	DDGD	
CO[C@H](C)CCNC(=O)NNC(=O)c1c[nH]c2ccccc12	263819598	XPEGKYKCSRRMPZ-SNVBAGLBSA-N	304.350	1.537	50	20	DDGD	
COc1cccc(CNC(=O)NNc2nc(C)cc(OC)n2)c1	266967769	OAMVJNAQBASHRJ-UHFFFAOYSA-N	317.349	1.629	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C	269479356	OEWDULSKQVFAPL-RVROTUBLSA-N	323.393	1.898	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C	268232037	SKNIIGUCOGMSKD-HZMBPMFUSA-N	324.856	1.951	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC12CCOCC2)c1cccc([N+](=O)[O-])c1	363314415	MFQRXZUSAYZLIB-GFCCVEGCSA-N	319.317	1.173	50	20	DDGD	
COCCC(C)(C)CNC(=O)NNC(=O)c1ccccc1F	273576709	PRWJBTPKIIZOCN-UHFFFAOYSA-N	311.357	1.832	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNC(=O)c1ccc(C)cc1O	273579678	QDNVJGZMUIJFGI-UHFFFAOYSA-N	314.345	1.436	50	20	DDGD	
C[C@@](O)(C(=O)NNc1nc(-c2ccc(Cl)cc2)no1)C1CC1	367645713	RHJRXZYLLGFQMB-AWEZNQCLSA-N	322.752	1.994	50	20	DDGD	
C=C[C@](C)(CCOC)C(=O)NNC(=O)COc1ccccc1O	275661129	DWHCXAMAWSZVFU-MRXNPFEDSA-N	322.361	1.147	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1cccc(CSC(C)C)c1C	274075444	PXBRWGHMNMLEOP-UHFFFAOYSA-N	323.418	1.742	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cn(CC(=O)C(C)(C)C)nn1	276700642	ILCFCSGILVLUIN-UHFFFAOYSA-N	316.365	1.354	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cc(C)n(CCC#N)n1	274085830	HVSLPJCEUAZNDA-UHFFFAOYSA-N	316.325	1.052	50	20	DDGD	
CCONC(=O)NNC(=O)[C@H](C)Oc1ccc(OCC)cc1	275142675	QJVMQIFAOKJLOU-JTQLQIEISA-N	311.338	1.135	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CC(C)(C)CC(C)=O)nc1	276406068	AATAPMJLGUPLBQ-UHFFFAOYSA-N	307.350	1.707	50	20	DDGD	
CC(C)(C)c1ccc(NC(=O)C(=O)NNC(=O)C2CCC2)cc1	274076032	KWOOZIHOUDELMO-UHFFFAOYSA-N	317.389	1.870	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H]2C[C@]23CCOC3)c(C)c1	373403882	AMIDLPVWNFSLJQ-DYVFJYSZSA-N	317.389	1.289	50	20	DDGD	
CC(C)OC(=O)CCCNC(=O)NNC(=O)c1ccccc1	274220261	SFYXAIOJLRPIRT-UHFFFAOYSA-N	307.350	1.362	50	20	DDGD	
C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)C(C)(C)O	278021207	TTWPFFKFGPZSEX-QMMMGPOBSA-N	300.742	1.026	50	20	DDGD	
C=CC[C@@H](CC)NC(=O)NNC(=O)[C@H]1COc2ccccc2O1	281327164	LBCMKGJFDFZBBS-BXUZGUMPSA-N	319.361	1.512	50	20	DDGD	
CCc1ccc2occ(C(=O)NNC(=O)N3CCOCC3)c2c1	285355904	ZRABAIRFVWCSBK-UHFFFAOYSA-N	317.345	1.682	50	20	DDGD	
C[C@H]1COCC[C@@H]1CNC(=O)NNC(=O)Cc1ccc(F)cc1	286655872	AGXUWPUEVSCAIO-WCQYABFASA-N	323.368	1.371	50	20	DDGD	
CC(C)c1nnc2ccc(NC(=O)NNC(=O)CC3CC3)cn12	282855286	PWNYWPKDUVPAQH-UHFFFAOYSA-N	316.365	1.806	50	20	DDGD	
O=C(NCCC1(O)CCC1)NNC(=O)c1cc2ccccc2o1	285256004	DLHDKVLYSJYDSU-UHFFFAOYSA-N	317.345	1.682	50	20	DDGD	
Cc1nnc(CCNC(=O)[C@H](Br)C(C)(C)C)n1C	286559256	SDAZPYPLMSVLEK-JTQLQIEISA-N	317.231	1.592	50	20	DDGD	
CSCC(C)(C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	282425507	FBMAYAAUMQUOPV-LBPRGKRZSA-N	324.402	1.363	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1	280171531	IOPAZKLNSAFVAM-RNFRBKRXSA-N	302.783	1.423	50	20	DDGD	
CC(C)(C)c1n[nH]cc1C(=O)NNC(=O)c1ccc(Cl)nc1	293112781	ORAWWBLYLIMDPP-UHFFFAOYSA-N	321.768	1.830	50	20	DDGD	
COc1ccccc1/C=C/C(=O)NNC(=O)[C@@H]1CCCCO1	295783605	SWVKVXPIFUVCBO-HBWSCVEGSA-N	304.346	1.425	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccc(F)cc2)CC1)[C@@H]1CCCCO1	295593991	PJFMOSPXRJCJOX-AWEZNQCLSA-N	320.364	1.865	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CSC2CC2)c(C)c1	295435330	PBMHCEOSFAIZOK-UHFFFAOYSA-N	307.419	1.758	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNc1cccc(NC(C)=O)c1	293812426	CFIZOOQMFWWITN-OAHLLOKOSA-N	304.394	1.963	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCc2cc(F)ccc21	801593320	YWQGCOFUXTVIRG-LLVKDONJSA-N	307.369	1.770	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)C(C)(C)C)nnn1-c1ccccc1	299133721	FUNQNQBEQXMXNJ-UHFFFAOYSA-N	315.377	1.312	50	20	DDGD	
O=C(NCc1ccc(F)cc1)C(=O)NNc1cccc(F)n1	804767758	FJOWLLQNNIKVBK-UHFFFAOYSA-N	306.272	1.119	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNC(=O)N2CCN(C)CC2)cc1	807381491	WXKRYGPDGWKSLO-UHFFFAOYSA-N	320.393	1.076	50	20	DDGD	
COCCOc1ccc(NC(=O)NNc2ccncn2)c(C)c1	296516957	TUGWLVMPZLHQAG-UHFFFAOYSA-N	317.349	1.959	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ncoc1-c1ccc(F)cc1	294649490	MTRLDBAYMJCRHW-NSHDSACASA-N	319.292	1.421	50	20	DDGD	
Cc1nc(NC(=O)C(=O)NNc2ncccc2F)sc1C	807300697	SSTTYDLTMQCCDB-UHFFFAOYSA-N	309.326	1.376	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N=c2cc[nH]cc2)c(C)c1	802027127	SKGAQQYVDKESIC-UHFFFAOYSA-N	314.345	1.352	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)c1c[nH]nc1[N+](=O)[O-]	801613593	IHZKNQKHJXOISN-UHFFFAOYSA-N	317.305	1.102	50	20	DDGD	
C[C@@](O)(C(=O)NNc1ncncc1F)c1ccc(Cl)cc1	817081584	GRTNVTSKCBLIDT-ZDUSSCGKSA-N	310.716	1.620	50	20	DDGD	
COCCN(C)NC(=O)COc1cccc(NC(=O)C2CC2)c1	816562538	PEOPYEGILBCTNN-UHFFFAOYSA-N	321.377	1.023	50	20	DDGD	
Cc1cc(OCC(=O)NNc2ncncc2F)ccc1[N+](=O)[O-]	817077463	LRCKMARJTFRJLU-UHFFFAOYSA-N	321.268	1.354	50	20	DDGD	
C[C@H]1C(=NNC(=O)c2cnccn2)CCN1Cc1ccccc1	811637393	VOVBJFOLMNAANU-ZDUSSCGKSA-N	309.373	1.857	50	20	DDGD	
O=C(CCc1nc2ccccc2o1)NNc1ncncc1F	817083111	WWFKCIJPLMCLJB-UHFFFAOYSA-N	301.281	1.833	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)NCC1(CC(N)=O)CC1	817788119	XWAWQYBYWLXXIP-UHFFFAOYSA-N	310.785	1.930	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)COc2ccccc2F)C1	819806599	RWNRCLFKNQVZHZ-UHFFFAOYSA-N	308.309	1.650	50	20	DDGD	
O=C(CCCC1CC1)NNC(=O)[C@H]1COc2ccccc2O1	812447920	RXBFUXACTFSQSI-CQSZACIVSA-N	304.346	1.554	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=C2CCCc3nc(N)ncc32)c1	814733994	ZTJVIEFSLOAEME-UHFFFAOYSA-N	324.388	1.595	50	20	DDGD	
CC[C@@H](C)C(=O)NN=C1CCCc2ccc(S(N)(=O)=O)cc21	811638848	DFZXKFLVXOSNGE-SNVBAGLBSA-N	323.418	1.537	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)[C@@H]1CCCSC1	810518097	ZEELCHSTVQPNCJ-SECBINFHSA-N	304.375	1.922	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2cccc(C(=O)O)c2)n1	814779320	JMBGZSFYXHITQK-UHFFFAOYSA-N	303.343	1.843	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)c1	728941488	DHWIUBMRMRUTAE-UHFFFAOYSA-N	324.296	1.753	50	20	DDGD	
CCN(CCO)NC(=O)c1c(F)cccc1Br	823865251	MHKRIQRGXIPXDD-UHFFFAOYSA-N	305.147	1.547	50	20	DDGD	
CCCCNC(=O)NNC(=O)CSC[C@@H]1CCCCO1	727373679	LPKYPJKCEKQDSE-NSHDSACASA-N	303.428	1.419	50	20	DDGD	
C=CCNC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1cccc(OC)c1	729272673	VDLLQLSTDLPIRL-OJLMPMFISA-N	314.341	1.836	50	20	DDGD	
Cc1ccc(C)n1C1CCN(CC(=O)NNC(=O)C(C)C)CC1	827640947	CRMSKQYXVCYADL-UHFFFAOYSA-N	320.437	1.545	50	20	DDGD	
Cc1nnc(CCC(=O)NNc2cc(F)c(F)cc2F)o1	821163409	AQIPXNACCILIHT-UHFFFAOYSA-N	300.240	1.871	50	20	DDGD	
O=C(O)c1cccc(C(=O)NNC(=O)c2ccccc2O)c1	821549484	IHUSHTRPEIXGJF-UHFFFAOYSA-N	300.270	1.165	50	20	DDGD	
CC(C)C1(C(=O)NNc2ncc(Br)cn2)COC1	824335820	XBUOTZJZUPFGIE-UHFFFAOYSA-N	315.171	1.355	50	20	DDGD	
Cc1[nH]c2ccnn2c(=O)c1CC(=O)NN(C)c1ccccc1	729511756	RTPLPQATPQFYAQ-UHFFFAOYSA-N	311.345	1.041	50	20	DDGD	
CC[C@@H](C)N(CC(=O)OC)C(=O)/C(C#N)=C/c1cnn(C)c1	491048055	KDLPOHIINDLLTK-XXLSNGBASA-N	304.350	1.127	50	20	DDGD	
CC(C)CC(=O)NCCC(=O)NN(C)C(=O)OC(C)(C)C	496025604	CLKWKLBBHZLMHT-UHFFFAOYSA-N	301.387	1.437	50	20	DDGD	
CC(C)(C=NNC(=O)c1ncccn1)CNC(=O)OC(C)(C)C	497206268	BMTTWXFGLSQSRG-UHFFFAOYSA-N	321.381	1.743	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1NC(=S)NNC(=O)Cc1cccnc1	728798666	KVGQRGAYYYECSW-YPMHNXCESA-N	306.435	1.698	50	20	DDGD	
CCCN(CCC)C(=O)CCC(=O)NNC(=O)C1CCCC1	729520406	QFUMNVUQRMNRBG-UHFFFAOYSA-N	311.426	1.753	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1CC[C@@H](C2CCCC2)C1	585001618	ZGWUIPJDHZMSMB-GFCCVEGCSA-N	305.158	1.158	50	20	DDGD	
CCCCC[C@@H](O)C(=O)NNC(=O)COc1ccc(C)cc1	822202631	IWYVSOLUZPMQRW-CQSZACIVSA-N	308.378	1.462	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C	492200034	CJIKLUAPKJISHC-UWVGGRQHSA-N	315.370	1.409	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C	494142594	QIAHBTXAIQGEHH-MRVPVSSYSA-N	323.340	1.338	50	20	DDGD	
Cc1cccc([C@H](C)CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	826070043	OBPZIARVLFWSGK-NFAWXSAZSA-N	319.405	1.854	50	20	DDGD	
CN(NC(=O)c1cn(-c2cccnc2)nn1)C(=O)OC(C)(C)C	496460581	SCGOEPJCHGZBML-UHFFFAOYSA-N	318.337	1.174	50	20	DDGD	
CN(CCc1cccc(NCc2ccc(B(O)O)o2)c1)C1CC1	585034246	KEXWIPFTHUGIHT-UHFFFAOYSA-N	314.194	1.208	50	20	DDGD	
C=CC(=O)N(CC)CC(=O)NNC(=O)Nc1ccccc1C	907967884	PHXXODKOMBCADV-UHFFFAOYSA-N	304.350	1.182	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C	490872379	BMRDNEFYHMWPOR-JLHYYAGUSA-N	322.328	1.830	50	20	DDGD	
O=C(NCB(O)O)[C@H](Oc1ccc(Cl)cc1)c1ccccc1	585059627	VBUYMASHDJEIIN-CQSZACIVSA-N	319.553	1.588	50	20	DDGD	
C#C[C@@H](C)NC(=O)NNC(=O)[C@@H](C)Oc1ccc(OCC)cc1	820441862	YMOYWPWPODXZDB-VXGBXAGGSA-N	319.361	1.205	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C(C)(C)C	735552203	VVGOHANSXYBOCR-VIFPVBQESA-N	316.365	1.310	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C/c1ccc(N(C)CCOC)nc1	491011590	PGERPJDPQJPTPM-GXDHUFHOSA-N	300.362	1.373	50	20	DDGD	
CC(CS(=O)(=O)c1ccc(C)cc1)=NNC(=O)NCC1CC1	734296433	SJDKFIZIKWMTDC-UHFFFAOYSA-N	323.418	1.854	50	20	DDGD	
C[C@@H](C1CC1)N(C)S(=O)(=O)NN(C)C(=O)OC(C)(C)C	495939353	CVSYRYUOWGYEEU-VIFPVBQESA-N	307.416	1.333	50	20	DDGD	
CCO[C@@H]1C[C@@H](N(C)C(=O)/C(C#N)=C/c2cnn(C)c2)C1(C)C	491164170	ZNCVXWPRTYWERR-PHIGAYBXSA-N	316.405	1.989	50	20	DDGD	
CCSCc1ccnc(NCc2ccc(B(O)O)cc2F)c1	585032446	UYWIQYKWRVZNEI-UHFFFAOYSA-N	320.198	1.766	50	20	DDGD	
O=C(/C=C\c1ccc[nH]1)NNC(=O)NCCc1cccs1	491992043	SKSXVASLWXFBQE-WAYWQWQTSA-N	304.375	1.663	50	20	DDGD	
CCNC(=O)NNC(=O)CNc1cccc(C(F)(F)F)c1	733140172	UWVXHUJGGSUVEM-UHFFFAOYSA-N	304.272	1.468	50	20	DDGD	
O=C(C[C@H]1CCC(=O)N1)NNc1ccccc1Br	830771808	SKWUURNJNPNDER-MRVPVSSYSA-N	312.167	1.561	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H]1CC(C)C	837973763	HIZAPSOCSYVEJK-YNEHKIRRSA-N	312.410	1.794	50	20	DDGD	
C=CCOCCNC(=O)NNc1cccc(Br)n1	838540429	HOFUBTASJCPEOM-UHFFFAOYSA-N	315.171	1.673	50	20	DDGD	
Cn1cccc1[C@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1	584954672	KFZJVTFTVBZVIA-MRXNPFEDSA-N	312.178	1.072	50	20	DDGD	
OB(O)[C@@H]1CCN(c2ncnc3ccc(Br)cc23)C1	585073413	LJHLBGTVRZOJEJ-MRVPVSSYSA-N	321.971	1.445	50	20	DDGD	
COCCn1c(C)cc(C=NNC(=O)[C@H]2CCCCO2)c1C	834988933	BGBAJQBDEVXYCZ-OAHLLOKOSA-N	307.394	1.771	50	20	DDGD	
COc1ccc2c(c1)C[C@H](C)CC2=NNC(=O)[C@H]1CNC(=O)C1	905484025	FHMKJFYOAKFRNC-CMPLNLGQSA-N	315.373	1.234	50	20	DDGD	
CC(C)CCC1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1	584963058	VDRGYNZPQMBDDR-UHFFFAOYSA-N	321.201	1.794	50	20	DDGD	
O=C(C[S@@](=O)c1ccc(Cl)cc1)NNC(=O)C1CCC1	900657568	AALBVGKWVSLAEH-HXUWFJFHSA-N	314.794	1.395	50	20	DDGD	
C[C@@H](C(=O)NCC(Cl)Cl)N1C(=O)[C@H]2CCCC[C@H]2C1=O	837651877	RDXVRKLPKGGFSA-XHNCKOQMSA-N	321.204	1.470	50	20	DDGD	
C[C@H](Sc1ccc(Br)cc1)C(=O)NCB(O)O	585061691	DOOSGJHFGVXHAE-ZETCQYMHSA-N	318.001	1.058	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCCc2ccccc2CC1	831920554	NJJOHPPYVMBEAN-UHFFFAOYSA-N	317.433	1.671	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@@H]1CCOC2(CCC2)C1	907967349	MEISWBBTUYUDHR-MRVPVSSYSA-N	309.288	1.228	50	20	DDGD	
O=C(NNC(=O)c1ncoc1-c1ccccc1)c1ccccn1	732548533	LBVWFDJZLCYGBK-UHFFFAOYSA-N	308.297	1.811	50	20	DDGD	
CC(C)(C)C(=O)CCCC(=O)NNC(=O)N=c1cc[nH]cc1	831937759	VWCHSQHXQPEFAJ-UHFFFAOYSA-N	306.366	1.442	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC[C@H](C)N(C)C)c1ccccc1	836622924	JHPRYBOYFGKLOS-JSGCOSHPSA-N	306.410	1.461	50	20	DDGD	
C[C@H]1CC[C@@H](CNC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)O1	838739214	JGNCLMAWFMHQEJ-CABZTGNLSA-N	322.321	1.106	50	20	DDGD	
CC(=O)CCc1ccc2oc(C(=O)NCB(O)O)c(C)c2c1	585056933	ZKPPFJIVNKOJDF-UHFFFAOYSA-N	303.123	1.005	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)nc1O	839483867	LBODTMMHHUHYFN-WDEREUQCSA-N	319.752	1.786	50	20	DDGD	
CC(C)CCn1nccc1NC(=O)NNC(=O)[C@@H]1CCCCO1	836545587	QZQAIADXBLKHRP-LBPRGKRZSA-N	323.397	1.651	50	20	DDGD	
Cc1nc(O)nc(O)c1CCC(=O)NNc1ccccc1F	748059134	KSLBGWCOTSLNOI-UHFFFAOYSA-N	306.297	1.411	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(Cl)nc2)c(O)c1	917249163	WBXQSYLSUXJRAI-UHFFFAOYSA-N	321.720	1.524	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1cc(Cl)ccc1O	748136524	MQELFMJMXWNCPK-UHFFFAOYSA-N	309.753	1.508	50	20	DDGD	
O=C(Cc1ccncc1)NN=C1CCN(Cc2ccccn2)CC1	747646289	RNMQPRCIAVPEHE-UHFFFAOYSA-N	323.400	1.787	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccc(N2CCNC2=O)cc1	914843230	FOVOMVVLQCHIIL-UHFFFAOYSA-N	316.361	1.167	50	20	DDGD	
Cn1ccnc(NNC(=O)CCc2cc(Cl)cs2)c1=O	747942045	SKTQBKWERBOKEE-UHFFFAOYSA-N	312.782	1.571	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)CCc2ccccc2)CCN1	841988930	XIWAGQNRXUHYOW-TZMCWYRMSA-N	304.394	1.090	50	20	DDGD	
CC1(OCC(=O)NNC(=O)c2ccc(Cl)cc2O)CCC1	746294612	WEFHNVZNUOJRFV-UHFFFAOYSA-N	312.753	1.766	50	20	DDGD	
CCc1cccc(C=NNC(=O)[C@H](C)CN2CCOCC2)c1	844569412	OCGHWRQGDCNYRZ-CQSZACIVSA-N	303.406	1.667	50	20	DDGD	
Cc1cc(C)c2c(c1)CCC2=NNC(=O)[C@H]1CCS(=O)(=O)C1	848404690	NYDQPZJXXPDFLS-ZDUSSCGKSA-N	320.414	1.505	50	20	DDGD	
CC1CCN(C[C@H](C)C(=O)NNC(=S)NC(C)(C)C)CC1	917572723	QNDQSSKYVCJDPD-LBPRGKRZSA-N	314.499	1.648	50	20	DDGD	
CN(C)C(=O)NN=Cc1ccccc1OCC(=O)N1CCCC1	745613432	TWMRCEXJQHDTEE-UHFFFAOYSA-N	318.377	1.293	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CCn1cc(Br)cn1	918017573	GGCVYGMQCITGPH-UHFFFAOYSA-N	317.187	1.229	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(C(C)C)n1	843663667	ZEQVLIVRXJPGIB-NWDGAFQWSA-N	305.378	1.699	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccc([N+](=O)[O-])cc2F)n1	740112698	OKLNQQJJYYZCLC-UHFFFAOYSA-N	320.284	1.347	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)NCC1=CCNCC1	841971645	LBOCYIKUQXHZFK-UHFFFAOYSA-N	322.796	1.133	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@@H]1CC[C@@H]2CNC[C@@H]2C1	842013229	GOQWKCSZYCQXOW-GRYCIOLGSA-N	320.368	1.158	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2noc3c2CCCC3)n1	740107809	NPKAKJJVYQNRPC-UHFFFAOYSA-N	302.338	1.166	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)NC[C@@H](N)C2CC2)cc1	841966189	RSIXZYDASKJOTG-CQSZACIVSA-N	318.421	1.665	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CCCCCNC(N)=O)n1	748339999	SHESYEINZMLYKU-UHFFFAOYSA-N	314.777	1.110	50	20	DDGD	
Cc1cc(C)c2cc(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)[nH]c2c1	843977571	UEVTXNMCUPLBFE-NEPJUHHUSA-N	315.373	1.971	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1cnc(N2CCCC2)nc1	915982652	TVONIOITVNILEL-JYRVWZFOSA-N	302.334	1.173	50	20	DDGD	
O=C(CCn1cccn1)NNc1ccc(Cl)cc1[N+](=O)[O-]	918595685	XVBYCDICIASQJH-UHFFFAOYSA-N	309.713	1.978	50	20	DDGD	
O=C(NC[C@H]1COCCO1)NNc1ccc(F)cc1Cl	914284663	IQILNQPNLKGILK-VIFPVBQESA-N	303.721	1.521	50	20	DDGD	
CC[S@](=O)c1ccccc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843973296	HTVTZOFIHFDLTC-GANBNBROSA-N	324.402	1.000	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccnc2ccccc12	748260530	VOLNPBCVULWXCR-GFCCVEGCSA-N	301.346	1.736	50	20	DDGD	
CCC(CC)(CO)C(=O)NNC(=O)CCCc1ccccc1	847432497	LFBNNTGEVXRVCS-UHFFFAOYSA-N	306.406	1.955	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1ccnn1CC(C)C	843263750	LGLCIPBGTOLWHB-UVTDQMKNSA-N	304.394	1.989	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCc2cc(C)no2)cc1	844935071	RMBWJYPZGPZZIF-UHFFFAOYSA-N	318.333	1.525	50	20	DDGD	
CCC(=NNC(=O)Cn1nc(C)cc1C)c1c(C)nn(C)c1C	741837547	LVLIGKUJRKFGON-UHFFFAOYSA-N	316.409	1.781	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc(Cl)nc(C2CC2)c1	847391216	VIANECLNLNVXDT-UHFFFAOYSA-N	308.769	1.966	50	20	DDGD	
CC[C@H](Oc1ccccc1C)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843656525	YKZURZVHXHQXDC-RDBSUJKOSA-N	320.389	1.725	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2nccn2C1)c1ccccc1F	746285327	KXCQCGKQHYXKPS-JTQLQIEISA-N	302.309	1.046	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNC(=O)COCc1ccccc1	841124270	JKLDTPRQZRCNMC-CQSZACIVSA-N	308.378	1.412	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(Br)cc(OC)c1	929189850	UGFUNDDFZMBJOD-UHFFFAOYSA-N	317.139	1.849	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCN(C)c3ccccc32)o1	750779059	ZCFHFYXVRDXZBW-ZDUSSCGKSA-N	313.357	1.973	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2ccccn2)c(N(C)C)n1	757754518	TWCPYGUGZPGXQI-UHFFFAOYSA-N	314.349	1.318	50	20	DDGD	
O=C(NNC(=O)c1nc2cnccc2s1)NC1CCCCC1	854192591	QZOLRCLYBBWNQK-UHFFFAOYSA-N	319.390	1.968	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1COc2c(Cl)cccc21	757821704	XKTGBMVMASWGDO-JTQLQIEISA-N	313.741	1.140	50	20	DDGD	
O=C(CCc1ccoc1)NNC(=O)c1cnn(-c2ccccc2)c1	753220737	JQFLEJOJCAAEEK-UHFFFAOYSA-N	324.340	1.859	50	20	DDGD	
NCCC[C@@H](NS(=O)(=O)CBr)c1ccccc1	850588517	JMRVBELTMLDRCX-LLVKDONJSA-N	321.240	1.738	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCC1=CCCC1	852633291	CXMULXACVULPKW-UHFFFAOYSA-N	303.362	1.678	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cc(-c2ccco2)[nH]n1)C1CC1	751616085	FGTCJENRUVYKMD-QMMMGPOBSA-N	319.390	1.577	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@H]1C[C@]12C(=O)Nc1ccccc12	929189784	OXIOMXICKXRQSK-QLJPJBMISA-N	317.345	1.452	50	20	DDGD	
C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)NNC(=O)[C@@H]1CCC(=O)N1	858701310	VTHFNWQPAWGOBQ-UTUOFQBUSA-N	324.425	1.152	50	20	DDGD	
CC(C)(O)CN1CCC(=NNC(=O)OCC(F)(F)F)CC1	853429815	SHJGWCUZHKNGGH-UHFFFAOYSA-N	311.304	1.498	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccc(O)c([N+](=O)[O-])c1	855089640	ZOWZDELVSNOMNB-UHFFFAOYSA-N	324.362	1.209	50	20	DDGD	
CCC(F)(F)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	854575779	WEGFCCTWVLXASQ-UHFFFAOYSA-N	321.349	1.425	50	20	DDGD	
O=C(NN=Cc1ccc(O[C@H]2CCOC2)cc1)c1ccnnc1	853359300	MXXBVGGJAVMICR-HNNXBMFYSA-N	312.329	1.408	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1cnn(-c2ccccc2)n1	757847601	WOOOYQYXTREQCB-UHFFFAOYSA-N	314.349	1.610	50	20	DDGD	
CN(C)N(C(=O)C1CCC2(CC1)CC2)[C@H]1CCS(=O)(=O)C1	854516708	PMXIIEGKIXUGBA-ZDUSSCGKSA-N	314.451	1.449	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)c2cnco2)cc1OC	758100189	QPWYAYZQCGQTFV-UHFFFAOYSA-N	319.317	1.547	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@H]2C=NNC(=O)Cc2cc[nH]n2)cn1	853351516	KJWMMYAYPSICAJ-XHDPSFHLSA-N	316.365	1.048	50	20	DDGD	
COc1cccc(OC)c1CNC(=O)NNC(=O)C1CCCC1	852279625	WPGVZEUECDTUBK-UHFFFAOYSA-N	321.377	1.724	50	20	DDGD	
CSCc1cccc(NC(=O)NNC(=O)c2cnn(C)c2)c1	756501521	DGILSDRJZDWAQK-UHFFFAOYSA-N	319.390	1.750	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C(C)c1cnc[nH]1	853356892	LUFKZIYCTGBQLM-NSHDSACASA-N	319.365	1.167	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NNC(=O)C1CCC1	859328122	KVPMSKMKIBBWDJ-JTQLQIEISA-N	313.398	1.579	50	20	DDGD	
CCN1CCC[C@H](NC(=O)[C@]2(C)C[C@H]2Br)C1=O	928864610	FSRGZETYCYCKGA-YGOYTEALSA-N	303.200	1.287	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)N[C@@H]1CC[C@H](C(N)=O)C1	922791749	PCRGCJYBCNIRPY-GXSJLCMTSA-N	310.785	1.929	50	20	DDGD	
C[C@]1(CNC(=O)c2cnc3cccnn23)C[C@@H]1Br	857733212	HUNRRZNGLAGENP-JOYOIKCWSA-N	309.167	1.633	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)Cc2occc2C)cc1	856791180	HPYNKNFGJQSGTC-UHFFFAOYSA-N	301.346	1.698	50	20	DDGD	
CCO[C@H]1C[C@H](NC(=O)NNC(=O)c2cn[nH]c2)C12CCCC2	858260631	HGPUACKMCGLIDJ-RYUDHWBXSA-N	321.381	1.092	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2c[nH]nc2C1)c1cccc(Cl)n1	857326005	OTZOLTMNFXGDNO-MRVPVSSYSA-N	319.752	1.024	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2cnc3ncccn23)c1	755499092	NDHIGRCTGPEHSJ-UHFFFAOYSA-N	309.329	1.567	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(OC(F)F)c(F)c1	756007915	YQNDWGJRRVPPEE-UHFFFAOYSA-N	321.255	1.616	50	20	DDGD	
Cc1noc(C)c1[C@H](C)NC(=O)NNC(=O)c1cccc(F)n1	852108241	YBRVPBNXCCQNSV-ZETCQYMHSA-N	321.312	1.531	50	20	DDGD	
O=C(NCC1=CCCC1)NNc1ncc(Br)cn1	852633447	RHFPCCDSYVZLTC-UHFFFAOYSA-N	312.171	1.976	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)NNC(=O)c1cccc(Cl)n1	857323593	SCLGAGQIPXCQEI-SCZZXKLOSA-N	309.753	1.501	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@@H]1CCC[C@H]1Cc1ccccc1	755073167	YFJZOPUMYLDOPH-CWRNSKLLSA-N	317.433	1.933	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1ccc2ncccc2c1	750938874	RRRYIFWMOGNLHH-UHFFFAOYSA-N	322.324	1.708	50	20	DDGD	
C=CC[C@H]1CCCN(C(=O)NNC(=O)c2cccc(F)n2)C1	852713401	VNYUZBRFEYCWNP-NSHDSACASA-N	306.341	1.863	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1CC(=O)NNc1ccc(C(F)(F)F)nn1	755184581	XQKNDEXWVZDUMQ-DTORHVGOSA-N	317.315	1.811	50	20	DDGD	
CC[C@](C)(NC(=O)NNC(=O)c1ncccn1)C(F)(F)F	933512661	SPINZTNEJLKKQB-JTQLQIEISA-N	305.260	1.152	50	20	DDGD	
CC(=NNC(=O)NC1CCCCC1)c1cc(C(N)=O)n(C)c1	767088890	UGELHMBPOKLESR-UHFFFAOYSA-N	305.382	1.480	50	20	DDGD	
O=C(NNC(=S)NCCc1ccccc1)c1cccc(F)n1	763545624	GAXJTDBYGZDGDY-UHFFFAOYSA-N	318.377	1.572	50	20	DDGD	
C[C@H](C(=O)N(C)NC(=O)OCc1ccccc1)[C@@H]1CCC(=O)N1	862289247	MYQXZBRQMQTMKI-AAEUAGOBSA-N	319.361	1.201	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CC(F)(F)F)c(C)c1	764115654	CNVAYCFXYRLULM-UHFFFAOYSA-N	317.267	1.342	50	20	DDGD	
COC[C@](C)(NC(=O)[C@H](Br)C(C)(C)C)C(=O)OC	768251255	FZBQSKLBGQBXBM-UFBFGSQYSA-N	324.215	1.490	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccccc1C(F)(F)F	869912738	OFUWKCALTBAJPS-UHFFFAOYSA-N	320.267	1.129	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(-c2ccc(C)cc2)[nH]n1	764484332	OJDNWZLPJGCQLQ-UHFFFAOYSA-N	324.344	1.941	50	20	DDGD	
CCO[C@H](CC(=O)NNC(=O)c1ccc2c(c1)OCO2)C(C)C	760234729	KNBRHNWJQQASRD-CYBMUJFWSA-N	322.361	1.628	50	20	DDGD	
CCOc1cc(COc2ccc(B(O)O)cc2)ccc1[N+](=O)[O-]	864048441	YHTCCQYGSJBOQN-UHFFFAOYSA-N	317.106	1.252	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cccc2nsnc12	861603344	RUZUZMDTFFJSOM-YUMQZZPRSA-N	321.362	1.269	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](C(F)(F)F)C1	761047785	XBCNQULYECYMBN-NXEZZACHSA-N	309.332	1.453	50	20	DDGD	
COc1cc(C(=O)NNc2ncc(F)cn2)cc2c1O[C@H](C)C2	760919935	AUAXVSANMYDRJF-MRVPVSSYSA-N	318.308	1.705	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@H](C)COCC1CCCCC1	932422398	WHCZMCROBOYXAP-OLZOCXBDSA-N	313.442	1.507	50	20	DDGD	
O=C1CC(C(=O)NNc2c(Cl)cc(F)cc2Cl)=NN1	768549831	WMOPULMPCSCQNB-UHFFFAOYSA-N	305.096	1.452	50	20	DDGD	
CCCCNc1ccccc1C(=O)NNc1nnc(C)c(O)n1	763523723	GSMXFHMJISDSSY-UHFFFAOYSA-N	316.365	1.855	50	20	DDGD	
CCC(CC)C(=O)OCC(=O)NNC(=O)Cc1ccccc1C	767286475	IJUJBHBIWNHPIJ-UHFFFAOYSA-N	320.389	1.664	50	20	DDGD	
O=C(NNc1cccc(F)c1Cl)[C@@H]1CN2CCCN1CC2	862507256	XDZCYBLJPVEUCZ-LBPRGKRZSA-N	312.776	1.312	50	20	DDGD	
Cc1cccc(CC(=O)NN(C)C(N)=O)c1Br	860516576	FTGUDZYUQVOCNX-UHFFFAOYSA-N	300.156	1.342	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C2CC2)nn1-c1cccc(F)c1	764684286	WGQQINNRCKYWNN-UHFFFAOYSA-N	317.324	1.883	50	20	DDGD	
COCCCNC(=O)NN=Cc1cn(-c2ccc(F)cc2)nn1	863084471	HYPZQJCPGYDEAI-UHFFFAOYSA-N	320.328	1.076	50	20	DDGD	
CCOc1nccc(C)c1C(=O)NNc1ccc(OC)cn1	765534286	CIDPBSBBKDMBKG-UHFFFAOYSA-N	302.334	1.949	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@]2(C)CC[C@H](C)C2(C)C)n[nH]1	869017195	JKHNNMNWUWSJAF-QFYYESIMSA-N	306.410	1.870	50	20	DDGD	
O=C(/C=C/C1CCOCC1)NNCC(F)(F)C(F)(F)F	863096209	ZMUCUXSDUNGVBR-OWOJBTEDSA-N	302.243	1.788	50	20	DDGD	
O=C(NC[C@H]1COCCN1)NNc1cccc(Cl)c1Cl	861686990	IARIGYDDDCWWTN-QMMMGPOBSA-N	319.192	1.608	50	20	DDGD	
CCO[C@@H](C)c1ncc(C(=O)NNc2nccnc2OC)s1	764466313	ZRSFPXGHDCPNSW-QMMMGPOBSA-N	323.378	1.796	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2cccnc2N(C)C)cs1	1117525634	DIMMSZPZZFKPHZ-UHFFFAOYSA-N	303.391	1.605	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@@H]1CC12CCOCC2	766673881	LDDKNASCRDQXNK-VIFPVBQESA-N	304.375	1.951	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H](NC(=O)[C@]2(C)C[C@H]2Br)C1	1119637194	YYPYDFBYAVDUHP-JXVAYASWSA-N	304.184	1.618	50	20	DDGD	
Cc1cccc(NNC(=O)NC[C@@]2(N(C)C)CCSC2)n1	875341311	LYIQOZOBHJMADH-AWEZNQCLSA-N	309.439	1.453	50	20	DDGD	
COCCO[C@@H]1C[C@@H](CO)CN(/C(=C/C#N)c2ccccc2)C1	773961226	GAZZIVCTGJMQOX-ILFNLNJKSA-N	316.401	1.897	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNC(=O)CC(F)(F)F)C1(C)C	776119149	ALZJWVILVQRYJV-BDAKNGLRSA-N	308.300	1.728	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cc2n(n1)CCCO2	772866026	DJLRUGICQBRHCF-UHFFFAOYSA-N	302.338	1.336	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NC[C@]2(C)C[C@H]2Br)no1	1118755439	ZFMYYFHALZBLHR-HQJQHLMTSA-N	316.155	1.211	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc(C2OCCO2)cc1)C(F)(F)F	1118882864	VTUGKGAOLGWOIE-MRVPVSSYSA-N	304.268	1.917	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCC1CC(OC(C)(C)C)C1	875532291	AETLMLQBXJDUNK-UHFFFAOYSA-N	301.387	1.883	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)c1ccco1	772156257	CFZOZCWOPULGOJ-QWRGUYRKSA-N	310.350	1.508	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2ccccc2)c(N(C)C)n1	775351510	IKAVFZNOQDZFKC-UHFFFAOYSA-N	313.361	1.923	50	20	DDGD	
O=C(CSc1ncco1)NNC(=O)c1ccc([N+](=O)[O-])cc1	772247049	RHSQAQFPGXRCQP-UHFFFAOYSA-N	322.302	1.136	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)ccc1O	779380249	PYLCYWHDKXHHBW-UHFFFAOYSA-N	315.285	1.684	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](NC(=O)NNC(=O)CC(F)(F)F)CCO1	772620994	RFEIWSKIYSVKKB-IUCAKERBSA-N	311.304	1.473	50	20	DDGD	
CC[C@H](SC)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	772214180	KRDVMMSLFZZDKR-UWVGGRQHSA-N	304.412	1.253	50	20	DDGD	
O=C(Cn1cccnc1=O)NNc1ncc(Cl)cc1Cl	775270545	GOKIZIBGQMYKKY-UHFFFAOYSA-N	314.132	1.088	50	20	DDGD	
COC(=O)[C@@H](C)n1cccc1C=NNC(=O)Cc1cccnc1	774586795	KPFPYVYOTAGGBE-GFCCVEGCSA-N	314.345	1.310	50	20	DDGD	
C[C@H]1C[C@@H]1c1ccc(CCC(=O)NNC(=O)c2cccnn2)o1	882061372	FXVZZEIBZFCKOT-JQWIXIFHSA-N	314.345	1.587	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N1CCC[C@H](C#N)C1)c1ccccc1	1121948751	VSYCIMOJEDWMHO-CYBMUJFWSA-N	314.389	1.941	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H]1CCc2nccn2C1	787225699	RCHXFKSHOAGVPK-NSHDSACASA-N	314.345	1.375	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2ncccc2Cl)ccn1	787886589	PGAXBVOJNCDWKW-UHFFFAOYSA-N	306.709	1.674	50	20	DDGD	
CC(C)Oc1ccccc1CC(=O)NNC(=O)C1CCOCC1	883062607	KEWVIGFPMZUQEU-UHFFFAOYSA-N	320.389	1.590	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCc2sccc21)c1cccnn1	882056711	CVBJGBQNDZDXGS-JTQLQIEISA-N	302.359	1.419	50	20	DDGD	
COC1CCC(C(=O)NNC(=O)COc2ccccc2O)CC1	780630613	VCTIAPVCGLOQOY-UHFFFAOYSA-N	322.361	1.124	50	20	DDGD	
C[C@@H](NC(=O)CC(C)(C)C)C(=O)NNc1ncncc1Cl	781820325	VIGKLBNTJWDGAS-MRVPVSSYSA-N	313.789	1.514	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)[C@H]1C[C@@H]1c1cccc(F)c1	882677805	CHINUHPHKCLQPZ-BIMULSAOSA-N	314.382	1.678	50	20	DDGD	
CC(C)(O)CCC(=O)NNc1cccc(S(C)(=O)=O)c1	787496535	VTSGKXJJPIBMBL-UHFFFAOYSA-N	300.380	1.084	50	20	DDGD	
COC1CCC(C(=O)NNC(=O)COc2ccc(F)cc2)CC1	780173562	MQHNWOVKKKZDJV-UHFFFAOYSA-N	324.352	1.557	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@@H]2CC(c3cn(C)nc3C)=NO2)c1	896298525	RLZADRNFFNZDSV-ZDUSSCGKSA-N	314.349	1.068	50	20	DDGD	
Cc1nnc(CNC(=O)NNC(=O)c2ccccc2F)s1	780048603	TZJSFBXJDVDPAI-UHFFFAOYSA-N	309.326	1.130	50	20	DDGD	
CN(CCc1ccccc1)CC(=O)NNc1ccc(Cl)nn1	896439767	ULIVRWGQJSGJBC-UHFFFAOYSA-N	319.796	1.748	50	20	DDGD	
CC(=NNC(=O)CNc1ccccc1F)C(C)(C)n1cncn1	794463828	MCJFBMZNDGSTFY-UHFFFAOYSA-N	318.356	1.757	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)c2n[nH]cc2C)c1	799413038	JTXDXTKRJQTDPS-UHFFFAOYSA-N	307.354	1.797	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=C1CCC2(CC1)CC2	792630383	HKRKXPBWJOVNAB-UHFFFAOYSA-N	306.391	1.840	50	20	DDGD	
CSSCCNC(=O)NC[C@H]1CCCCS1(=O)=O	790813951	GLVSAMYVEDQMMV-SECBINFHSA-N	312.482	1.264	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H]1CCc2cc(C)ccc2O1	793200213	FKMWCAMCUPGQOG-CQSZACIVSA-N	305.378	1.819	50	20	DDGD	
CC(C)c1ccccc1NC(=S)NNC(=O)[C@H]1CCC(=O)N1	792489083	BBFXHENUKNQYHT-GFCCVEGCSA-N	320.418	1.406	50	20	DDGD	
O=C(NN=Cc1c(F)ccc(O)c1F)C(=O)Nc1ccccn1	794518129	YGRYBZDQSSVXSQ-UHFFFAOYSA-N	320.255	1.154	50	20	DDGD	
CN(C[C@H](CBr)C1CC1)[C@@H]1CCS(=O)(=O)C1	701838773	ROXNPYZDVFIBAQ-WDEREUQCSA-N	310.257	1.526	50	20	DDGD	
CN(C)C(=O)N1CCN(C[C@@H](CBr)C2CC2)CC1	701859440	QVXKTEIQJVKHGJ-GFCCVEGCSA-N	318.259	1.707	50	20	DDGD	
COc1cc(OC2CC2)ccc1C(=O)NNC(=S)NC(C)C	1320815084	UTSMRTWVJBRYKA-UHFFFAOYSA-N	323.418	1.754	50	20	DDGD	
Cc1nnc(O)c(C(=O)NNc2ccc(C(C)(C)C)nn2)c1C	1323002591	ZWFQVDYITBTLDT-UHFFFAOYSA-N	316.365	1.643	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNc1ccc(C(C)(C)C)nn1	1326757633	BISQADYNBJLEND-UHFFFAOYSA-N	302.382	1.800	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N=c2cc[nH]c(C)c2)cc1	1320140165	RWEDFYMGLBTLNW-UHFFFAOYSA-N	300.318	1.287	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C[C@@H]1Br	1337300577	RSVNTMJWJJNBMV-HKLXJQGRSA-N	318.211	1.328	50	20	DDGD	
CCN(CCC(=O)OC)S(=O)(=O)c1ccc(CCl)cc1	694464370	GVZFSNNBYNAEJU-UHFFFAOYSA-N	319.810	1.999	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1CSc2ccccc21	1345736320	ACEOYAFFTFUEEB-HOSYDEDBSA-N	321.402	1.589	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCC2(O)CCC(C)(C)CC2)cn1	1347864942	GOLYIQFBUFCNAM-ZSOIEALJSA-N	316.405	1.775	50	20	DDGD	
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NNc1ccn(C)n1	1348606490	AOMRTJOHIMYXEQ-HNNXBMFYSA-N	313.361	1.838	50	20	DDGD	
O=C(NCCCc1ccsc1)NNC(=O)[C@H]1CCCCO1	1341637820	JEUILCLGCFCVML-GFCCVEGCSA-N	311.407	1.580	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)COCc2ccncc2)n1	1342391791	BETYXJUKLYRKNS-UHFFFAOYSA-N	307.741	1.493	50	20	DDGD	
CC[C@H](CNS(C)(=O)=O)NC(=O)C1CCC(Cl)CC1	1347134404	CZWHUHCWEVQTMP-VQXHTEKXSA-N	310.847	1.228	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)O)O2)cc1Cl	1600461751	VAMMGMCODMCSKL-GGZOMVNGSA-N	312.753	1.970	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)c1cnn2c1CCCC2	1608948692	WSILGZXVPZXZCM-UHFFFAOYSA-N	300.318	1.675	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C1(C(=O)O)CCC1	1603976283	ITWNGFJZSNWQGN-UHFFFAOYSA-N	320.345	1.030	50	20	DDGD	
Cc1nc(SCC(=O)NNc2cccc(C(=O)O)c2)n[nH]1	1600675366	WGSFZGJXNILDOW-UHFFFAOYSA-N	307.335	1.047	50	20	DDGD	
COc1cc(NC(=O)NNc2cccc(C(=O)O)c2C)nn1C	1607178411	MREINCHUQQRKEB-UHFFFAOYSA-N	319.321	1.584	50	20	DDGD	
CC(=NNC(=O)CC(F)(F)F)c1ccc(OCC(=O)O)cc1	1609553297	YDKWECOWUWCLQC-UHFFFAOYSA-N	318.251	1.943	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1609206334	UVQWURYHMUPXGL-MRVPVSSYSA-N	323.357	1.236	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NN=Cc2cc(C(=O)O)no2)c1	1607763844	DYBLOSOIFXKPFI-UHFFFAOYSA-N	317.301	1.519	50	20	DDGD	
NC[C@@H](NC(=O)NNc1ccc(F)c(C(=O)O)c1)C1CCCC1	1601182169	IWSMLDHGQRUARK-CYBMUJFWSA-N	324.356	1.668	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)c1cn2c(n1)COCC2	1608480910	XKSZAVSENSPEAI-UHFFFAOYSA-N	320.280	1.008	50	20	DDGD	
CCCN(NC(=O)CCSCC(=O)O)C(=O)OC(C)(C)C	1605320525	JQPCNWLGCOCLEB-UHFFFAOYSA-N	320.411	1.873	50	20	DDGD	
COC(=O)/C(C#N)=C/c1ccc(-c2nn[nH]n2)cc1C(F)(F)F	1609291980	LQLDMWHXMRZHKW-RUDMXATFSA-N	323.234	1.965	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cc(C(=O)O)c(C)n1C	1607959550	AMMNIMRDQCIWNR-UHFFFAOYSA-N	321.362	1.143	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)C1CCSCC1	1610287019	BAUOVBIERDUJEY-UHFFFAOYSA-N	310.375	1.980	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1ccc(N)cc1C	1549319035	FXNYTVCXAVOSTK-GOEBONIOSA-N	316.405	1.281	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1ccncc1	1549313726	HSJOPWYJYOCHMH-UKRRQHHQSA-N	302.378	1.175	50	20	DDGD	
CC(Cc1ccc(F)cc1)=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549319338	HLTMQXODKCJWED-HZPDHXFCSA-N	319.380	1.724	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2cc3ccccc3cc2O)CCNC1	1573600759	JTTOGYPQCIQHAZ-KRWDZBQOSA-N	313.357	1.306	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2C[C@@H](N)C2(C)C)c2ccccc21	1579953311	SNSCVTPYDRRCCV-GXTWGEPZSA-N	314.389	1.313	50	20	DDGD	
C[C@@]1(CNC(=O)/C(C#N)=C/c2ccc(F)cc2)CNCCO1	1576507747	FLBNSHXLXGNPAY-OIQJVACTSA-N	303.337	1.227	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(C(=O)O)cc1OCC(F)F	1589150103	KBJGLYPARHDRCW-UHFFFAOYSA-N	317.248	1.201	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2ncc[nH]2)C1	1842303170	XFBUEVNJQDRTOB-SNVBAGLBSA-N	310.785	1.244	50	20	DDGD	
CCC(=O)N1CCCC12CN(C(=O)[C@@](C)(Cl)CCl)C2	1842635868	ZFUREGMAQWGAIG-LBPRGKRZSA-N	307.221	1.836	50	20	DDGD	
C#CCCC(=O)N1CCCC12CN(C(=O)C(C)(C)CCl)C2	1846997088	JMZMQOFUAAXUOL-UHFFFAOYSA-N	310.825	1.868	50	20	DDGD	
O=C(O)CCCC(=O)NNC(=O)c1ccc2ccccc2c1	1595027764	KJTNWESRERVYMH-UHFFFAOYSA-N	300.314	1.856	50	20	DDGD	
Cc1csc(NC(=O)NNC(=O)CC2CC2)c1-c1nn[nH]n1	1592321874	SXLUQFXNNWLLOY-UHFFFAOYSA-N	321.366	1.189	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)[C@@H]1C	1590334796	LZSHURSOMUTLFR-COMAGPEQSA-N	316.365	1.369	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1cc2c(nc1O)CCC2	1595261897	LPLFUEPVJDWYLP-UHFFFAOYSA-N	314.301	1.126	50	20	DDGD	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)c1cc2ccccc2o1	1594228289	XMAQKENFGOBCRE-GLEZIHRCSA-N	302.286	1.305	50	20	DDGD	
O=C(O)[C@H](C(=O)NNc1ccc([N+](=O)[O-])cc1)C1CCCC1	1594835359	GEVWRVMNYTYXJN-LBPRGKRZSA-N	307.306	1.929	50	20	DDGD	
O=C(O)c1ccc2[nH]cc(C=NNC(=O)c3cnsn3)c2c1	1776104862	CJUJLUKMURUWQQ-UHFFFAOYSA-N	315.314	1.482	50	20	DDGD	
N#C/C(=C\c1ccc(OCC(=O)O)c(Cl)c1)C(=O)NC1CC1	1776127752	DLVYUDBWJUKQJR-BJMVGYQFSA-N	320.732	1.989	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C\c1cnc2ccc(C(=O)O)cn12	1776118088	RIOMOVPUYPAQLR-KMKOMSMNSA-N	304.269	1.199	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1c(F)cc(C(=O)O)cc1F	1776116018	PKWZNJOHESCHKN-WTKPLQERSA-N	311.240	1.760	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NN=C(C)c1cc(C(=O)O)c(C)nc1C	1776102397	OTPRFYHETVDCSN-KBPBESRZSA-N	319.361	1.662	50	20	DDGD	
O=C(O)c1ccc2c(c1)CCCC2=NNC(=O)c1ncon1	1776106093	QCPIKKWVCHNUKV-UHFFFAOYSA-N	300.274	1.238	50	20	DDGD	
C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl	1796809795	DQDJDJMQIMQRBX-GFQSEFKGSA-N	314.788	1.963	50	20	DDGD	
O=C(CSc1nncn1C1CC1)NNC(=O)c1ccccc1	14283133	INGPROZHTLUHCA-UHFFFAOYSA-N	317.374	1.166	50	20	DDGD	
CCOC(=O)N/N=C1/C(=O)Nc2cc3c(cc21)OCCCO3	17372184	JYZKSOFATGBLJB-UHFFFAOYSA-N	305.290	1.250	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cccc(C)c1)C[C@H](C)C#N	155272449	VSUOJIOXGYEPPU-CYBMUJFWSA-N	302.378	1.238	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNc2ncnc3nc[nH]c23)c1	156246237	DOLVNFOBGCWASQ-SNVBAGLBSA-N	312.333	1.572	50	20	DDGD	
CCC(=O)N1CCC[C@@H](C(=O)NNc2ccncc2Cl)C1	154702323	UNDBGUKPHIKKOV-SNVBAGLBSA-N	310.785	1.827	50	20	DDGD	
C[C@@H](Cn1cccn1)NS(=O)(=O)c1ccc(CCl)cc1	312804307	HLPVCRMSCCUUHR-NSHDSACASA-N	313.810	1.989	50	20	DDGD	
CN(C[C@@H]1CC2(CC2)C(=O)O1)NC(=O)OCc1ccccc1	859386371	NEYNHEQOHDUZJO-ZDUSSCGKSA-N	304.346	1.855	50	20	DDGD	
O=C(COC(=O)c1ccc(O)cc1)NNC(=O)c1ccccc1	3507690	UQNVRPWTSQPPJI-UHFFFAOYSA-N	314.297	1.010	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNC(=O)c1cc2c(s1)CCC2	7697977	ODUWIHIJNDODQL-CSKARUKUSA-N	305.359	1.442	50	20	DDGD	
O=C(CCN1C(=O)CCC1=O)NNc1ccnc2ccccc12	106923927	INXSCYZMYNLMCZ-UHFFFAOYSA-N	312.329	1.217	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c(C)o1	8491206	RYVPTJKWQAZWHS-UHFFFAOYSA-N	303.274	1.879	50	20	DDGD	
CCN(CC)[C@H](C(=O)NNC(=O)c1ccc[nH]1)c1ccccc1	104825358	BWHVECJLJUNXTJ-HNNXBMFYSA-N	314.389	1.859	50	20	DDGD	
C[C@@H](CCC1CCCCC1)NC(=O)NNC(=O)C(=O)NC1CC1	115847942	FWZXGOXLFJAVIY-NSHDSACASA-N	324.425	1.344	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N[C@H]1CCCc2occc21	103508926	HEDZKMKXDZLESQ-ZDUSSCGKSA-N	314.345	1.625	50	20	DDGD	
COCCCNC(=O)NNC(=O)C(C)(C)c1ccc(C)cc1	171288374	OSNOFTJSRINEEE-UHFFFAOYSA-N	307.394	1.640	50	20	DDGD	
N#CCOc1ccc(CC(=O)NNc2ccc(Cl)nn2)cc1	118502904	MYWKEIKRPLHZIL-UHFFFAOYSA-N	317.736	1.718	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NCC1CC1	65193372	FVOFXQBOZOESRZ-SECBINFHSA-N	311.769	1.848	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1	178951826	JYFRNCUVNGUUMT-HUPKAIDTSA-N	309.410	1.434	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CC=CCC2)cc1	172485739	VRVONDSXRTYKNN-CYBMUJFWSA-N	303.362	1.813	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@H](C)C(=O)NNC(=O)c1cccnc1	172924974	XBSJIOUDXDZTPL-JTQLQIEISA-N	315.377	1.072	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCC[C@@H]1C[C@H]2CC[C@@H]1C2	170881951	XWNADDQJRWICST-NWANDNLSSA-N	316.405	1.781	50	20	DDGD	
O=C(Cc1ccccc1OC(F)F)NNC(=O)c1cccnc1	118303545	YCHSESACVIXCSR-UHFFFAOYSA-N	321.283	1.687	50	20	DDGD	
C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)NNC(=O)N(C)C	171402715	OZANABKAVQLKPE-MRVPVSSYSA-N	319.283	1.775	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2C1)NC1CCCCC1	178744684	WFWYLCQWQUMVSN-CYBMUJFWSA-N	317.389	1.901	50	20	DDGD	
CCc1nc(-c2ccc(C(=O)NNc3cccnn3)cc2)n[nH]1	178548706	KTOHGLQCWGSGBU-UHFFFAOYSA-N	309.333	1.581	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC=CCC1)c1cnn(-c2ccccc2)c1	112824803	BWBCWMLOZDRVIN-ZDUSSCGKSA-N	310.357	1.990	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1cc(O)ccc1[N+](=O)[O-]	176379729	ZIGUYAZNSDWGIJ-XFFZJAGNSA-N	305.290	1.360	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2COCCO2)ccc1Br	172270834	FUKZFFUKXXFKCE-LLVKDONJSA-N	315.167	1.616	50	20	DDGD	
O=C(NCCn1ccnc1)NNC(=O)c1cc2ccccc2o1	175584514	WCZNSXQTRNTSDA-UHFFFAOYSA-N	313.317	1.274	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)c1ccncc1)N1CCCCC1	170915812	BOARQNRDLHFFFL-CQSZACIVSA-N	304.394	1.353	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2CCOc3ccccc32)n1	174475255	OOQJWQBYFPDKFN-LBPRGKRZSA-N	314.345	1.803	50	20	DDGD	
Cc1cc(F)cc(S(=O)(=O)NNC(=O)Cc2cccnc2)c1	176705106	NGJWNSNSKCJZSW-UHFFFAOYSA-N	323.349	1.081	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)COCCc2ccccc2)cc1	61462196	WMDDAPYHDCHJSS-UHFFFAOYSA-N	323.352	1.579	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F)N(C)C	126302923	IWJLTXJQRBADQV-ZYHUDNBSSA-N	311.357	1.081	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc2ccccc2c1O	122037370	WRURZAMWOAVLBN-ZDUSSCGKSA-N	300.314	1.485	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	121181621	VRKBQRXHWXQNEA-JTQLQIEISA-N	317.345	1.057	50	20	DDGD	
CCC(=CC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)CC	120609886	UFTRDHKZCSDLIB-UHFFFAOYSA-N	324.402	1.598	50	20	DDGD	
CC[C@@H]1CCCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1	30143122	ZZQAUTMNQJCTQK-GFCCVEGCSA-N	307.369	1.709	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1cccc[n+]1[O-]	125017637	SZLPQLADLGEMRX-UHFFFAOYSA-N	308.681	1.639	50	20	DDGD	
CC1CCC(N2C[C@H](C(=O)NNc3cccnn3)CC2=O)CC1	77034504	XYYWSVNGRNHBAO-OTTFEQOBSA-N	317.393	1.347	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cn(-c2ccccc2)nc1C	183672852	CTFSKWCWYHMRDL-UHFFFAOYSA-N	303.322	1.963	50	20	DDGD	
CC1(C)CCCN(CC(=O)NNC(=O)c2ccccc2)CC1	126982147	DLXHGIBQLQJBDE-UHFFFAOYSA-N	303.406	1.960	50	20	DDGD	
CCCCCCC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1	128292833	YHRQEXUNLWZIJU-UHFFFAOYSA-N	316.365	1.394	50	20	DDGD	
CN(C)[C@@H]1CCC[C@@H](NC(=O)NNc2nc3ccccn3n2)C1	189463145	OTDIDAKMDRDKIL-VXGBXAGGSA-N	317.397	1.228	50	20	DDGD	
Cc1nn(C)c(C)c1CC(=O)NNC(=O)c1ccc(Cl)nc1	77248990	AOAQHLLJBPGEFN-UHFFFAOYSA-N	321.768	1.089	50	20	DDGD	
COc1cccc(NNC(=O)Cc2ccccc2[N+](=O)[O-])n1	180701452	AXNZGLSTSJSRMN-UHFFFAOYSA-N	302.290	1.684	50	20	DDGD	
CC[C@@H](CC(=O)NNC(=O)Cc1cc[nH]n1)c1ccccc1	186121782	NHTWEBOKFGDDAB-LBPRGKRZSA-N	300.362	1.684	50	20	DDGD	
Cc1cccn2c(/C=C(/C#N)C(=O)Nc3ccn(C)n3)cnc12	134500519	JBEXURCFPNZIKJ-WQLSENKSSA-N	306.329	1.922	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2ccncc2)ccc1[N+](=O)[O-]	81025661	DDOGBHIGKGOKBQ-UHFFFAOYSA-N	314.301	1.302	50	20	DDGD	
C[C@@H]1CCN(CC(=O)NNC(=O)c2ccccc2)CCS1	192175313	APWBOFJWMDOFJM-GFCCVEGCSA-N	307.419	1.275	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)Cc1ccc(F)c(F)c1	88241604	KVTYGTPPUHDKCF-UHFFFAOYSA-N	301.362	1.801	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cccnc1OCC(F)F	89751800	MBGBNCIQEKWGGX-UHFFFAOYSA-N	301.293	1.533	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)C(=O)Nc2ccc(F)nc2)c1	132084965	RGFICTIEJFOIHE-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
CC(C)C[C@H](C)OCCC(=O)NNc1ncnc2[nH]cnc12	88381868	RLPGBTNJLDRDKD-JTQLQIEISA-N	306.370	1.637	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)OC(C)(C)C)N1CCc2ccccc21	195381621	KERFEWMMJBKYTB-NSHDSACASA-N	305.378	1.994	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cc(Cl)ccc1-n1cnnn1	194511840	LZWCHVRDJSHVMI-UHFFFAOYSA-N	322.756	1.123	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cnc(S)[nH]2)c(C)c1	193054909	UMQXEYPKGOYCSM-UHFFFAOYSA-N	319.390	1.188	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNC(=O)c1cccc(Cl)c1	194049832	LHAIATCMMNLWPP-UHFFFAOYSA-N	306.753	1.684	50	20	DDGD	
CN(C[C@@H](O)C(F)(F)F)C(=O)/C(C#N)=C\c1ccc(O)cc1	194835393	BFIYLDXWHSUNJU-XTOZHPGHSA-N	314.263	1.681	50	20	DDGD	
C[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1ccc2c(c1)OCCO2	264301180	JJMURXPVECPVTE-ZYHUDNBSSA-N	319.361	1.590	50	20	DDGD	
COc1cc(OC)cc(S(=O)(=O)NNC(=O)CC(C)C)c1	268998544	XLKCZORQHSQBPS-UHFFFAOYSA-N	316.379	1.059	50	20	DDGD	
CC(C)[C@H](NC(=O)NNC(=O)C1CCC1)c1nc(C2CC2)no1	264777534	OVQPDWKZWMVYMP-NSHDSACASA-N	321.381	1.775	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)CNc1ccc(OC)cc1	269617562	RGUPIQSOQZOZME-GFCCVEGCSA-N	311.407	1.396	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](C)c2cnn(C)c2)s1	266636429	ZRXZQAVHQKBENA-SECBINFHSA-N	307.379	1.495	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCCOC2CCOCC2)n1	266812823	OPQDICONTUCHHX-UHFFFAOYSA-N	323.397	1.305	50	20	DDGD	
CN(NC(=O)NCC1(CS(C)(=O)=O)CC1)c1ccccc1	267621108	NQJYFQUCIAALNJ-UHFFFAOYSA-N	311.407	1.162	50	20	DDGD	
O=C(NNC(=O)c1ccc(N2CCCC2)nc1)NC1CCCC1	263864687	KIOIITSPMSNVNS-UHFFFAOYSA-N	317.393	1.568	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H](C)NC(=O)C(C)(C)C)n1	267099220	OFSBXBGHUFUDAE-ZETCQYMHSA-N	313.789	1.432	50	20	DDGD	
C[C@H]1Oc2ccccc2[C@H]1NC(=O)NNc1cncc(Cl)n1	365761472	RHPQVPFHZAWAEC-OQPBUACISA-N	319.752	2.278	50	20	DDGD	
CCN1CCOC[C@@H]1C(=O)NNc1c(F)cccc1Cl	364285294	AWTICYVWXKCDDX-LLVKDONJSA-N	301.749	1.643	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NNc1cnc2ccccc2n1	278240887	NYCUWCNAJYIOFS-GFCCVEGCSA-N	315.377	1.041	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCS1(=O)=O	275105419	XFBVTNPMDMZISD-NSHDSACASA-N	313.335	1.005	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1ccc(F)cc1Cl	274371793	QHBNVOOLCFVJKM-UHFFFAOYSA-N	309.750	1.334	50	20	DDGD	
O=C(NC[C@@H]1COC2(CCCCC2)O1)NNc1cccc(F)n1	287034373	SIDVGVRNJIYPLE-LLVKDONJSA-N	324.356	1.923	50	20	DDGD	
C[C@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)CCCCCl	375620479	XEKRXJGWYGQHEA-QWHCGFSZSA-N	308.875	1.894	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H](OC)c2cnn(C)c2)c1	282574981	BYLUXIIOFVAQGP-ZDUSSCGKSA-N	308.313	1.399	50	20	DDGD	
CSSCCNC(=O)c1cccc(CS(N)(=O)=O)c1	284096160	NHOJWWAHNPUCDC-UHFFFAOYSA-N	320.461	1.216	50	20	DDGD	
CO[C@@H](C)CCNC(=O)NNc1ccc2c(O)nccc2c1	287553575	CWMYVVRFUSADFN-JTQLQIEISA-N	304.350	1.992	50	20	DDGD	
COCCN(C)NC(=O)c1cnn(-c2ccccc2F)c1C	288343061	FVTVZGLIGGKNMU-UHFFFAOYSA-N	306.341	1.543	50	20	DDGD	
C#CCC(CC#C)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C(C)(C)C	288190789	QDVFJIRODCJQTR-KBPBESRZSA-N	304.390	1.248	50	20	DDGD	
O=C(NNc1nnc[nH]1)[C@@H]1CCCN1Cc1ccc(F)cc1	293931724	NOCYZQCASZCTTN-LBPRGKRZSA-N	304.329	1.052	50	20	DDGD	
CN(C)c1cc(C(=O)NNC(=O)CC2CC2)nc2ccccc12	294250288	SSBARJOBKNQCKK-UHFFFAOYSA-N	312.373	1.862	50	20	DDGD	
O=C(NCCc1ccc2c(c1)OCCO2)NNc1ccncn1	296119350	HHXHARFTYNOYKZ-UHFFFAOYSA-N	315.333	1.117	50	20	DDGD	
CCOC1(C(=O)NNC(=O)c2ccc(CC)cc2)CCOCC1	803649841	QSKBEVXHPVOFDL-UHFFFAOYSA-N	320.389	1.596	50	20	DDGD	
CSCc1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)cc1	802033608	FVGUYVAWGVIEAT-UHFFFAOYSA-N	316.386	1.833	50	20	DDGD	
COc1ccccc1[C@H](C)NC(=O)NNC(=O)[C@@H]1CCCO1	291688989	OAMYGPZQAAKMMH-GWCFXTLKSA-N	307.350	1.266	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc2[nH]ccc2c1	807370002	SXTIOUGQZJEFFX-UHFFFAOYSA-N	319.361	1.718	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cnc2ccccc2c1	297633811	HINYDMADVRGQHT-UHFFFAOYSA-N	302.334	1.215	50	20	DDGD	
O=C(CCc1nc(-c2cccs2)no1)NNC(=O)CC1CC1	294097427	JAHGENZIRMRREO-UHFFFAOYSA-N	320.374	1.678	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@H]2CCS(=O)(=O)C2)c2ccccc21	807958994	LVHJUXALFSUILD-MNOVXSKESA-N	306.387	1.449	50	20	DDGD	
CCOC(=O)Nc1scnc1C(=O)NN(C)C(=O)OC	291839479	GSVTWSGESOQHJB-UHFFFAOYSA-N	302.312	1.055	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1cccc2c1OCC(=O)N2	290256264	USLYZCJBKTZXQF-UHFFFAOYSA-N	322.321	1.579	50	20	DDGD	
O=C(CN(CC(F)F)C1CC1)NNC(=O)c1ccc(F)cc1	299413823	WFUZVNYYAPMSEU-UHFFFAOYSA-N	315.295	1.316	50	20	DDGD	
O=C(NNC(=O)C1(F)CCCCC1)c1ccc2c(c1)OCCO2	809986762	MBYSAHXUNVGZTF-UHFFFAOYSA-N	322.336	1.891	50	20	DDGD	
Cc1cccc(C2(C(=O)NNC(=O)[C@@H]3CC[C@H](C)O3)CC2)c1	293849401	HKTGEFABARKTDO-JSGCOSHPSA-N	302.374	1.742	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccncn1)N(C)c1ccccc1	296221733	AVIPBVZTFXIYNQ-LBPRGKRZSA-N	300.366	1.628	50	20	DDGD	
Cc1ccc(C)c(NC(=O)C(=O)NNc2cccc(F)n2)c1	807391319	MUPRVHQLZMDDJC-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
CC(=NNC(=O)C(=O)NC(C)C)c1cc(Cl)cc(C)c1O	807959889	FAPZZLSMJCLMMW-UHFFFAOYSA-N	311.769	1.719	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cn(C)nc2C2CC2)n1	819881163	LCPUKOCRDMRPHZ-UHFFFAOYSA-N	306.757	1.806	50	20	DDGD	
O=C(CCN1CCCC1=O)NNc1cc(Cl)nc(Cl)c1	819742757	FALMPJFRGKNKID-UHFFFAOYSA-N	317.176	1.844	50	20	DDGD	
N#Cc1ccncc1C(=O)NNc1nc(-c2ccccc2)no1	813447044	AGRSMAXILURJEN-UHFFFAOYSA-N	306.285	1.760	50	20	DDGD	
COCCN1[C@H]2CC[C@H]1CC(=NNC(=O)c1cccn1C)C2	814780054	XUGQIXXQUGTRCP-KBPBESRZSA-N	304.394	1.384	50	20	DDGD	
O=C(Cc1ncc[nH]1)NNc1nc(-c2ccc(Cl)cc2)no1	816924644	SLUFGKAZJSEGGF-UHFFFAOYSA-N	318.724	1.799	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1cc2c(cn1)CCCC2	813014727	OAXQWZDYWCGQCS-UHFFFAOYSA-N	311.345	1.822	50	20	DDGD	
O=C(COc1ccc(F)cc1)NN=Cc1c[nH]c(C(=O)O)c1	814748726	LKKUWUJLRLPLPN-UHFFFAOYSA-N	305.265	1.381	50	20	DDGD	
COCCN1[C@H]2CC[C@H]1CC(=NNC(=O)c1c[nH]nc1C)C2	814851916	AZABBMUSCKOQJQ-STQMWFEESA-N	305.382	1.077	50	20	DDGD	
COC(=O)Cc1occc1C(=O)NNc1ccc(Cl)nc1	810460792	CQWFRAPWBAVZIB-UHFFFAOYSA-N	309.709	1.800	50	20	DDGD	
CO[C@H]1CCC[C@H](C(=O)NNc2nc(-c3ccncc3)no2)C1	815235934	KMFCYDHVOKSIKP-RYUDHWBXSA-N	317.349	1.780	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)Nc2ccc(Cl)cc2)n1	816595192	DBRXDHDOSZISKK-UHFFFAOYSA-N	322.756	1.726	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	813573803	PFTIHGZZIIDPAS-UHFFFAOYSA-N	322.271	1.339	50	20	DDGD	
O=C(NN=C1CCCOc2ccccc21)C(=O)N1CCCC1	728429967	TUPZROCPUFRGSV-UHFFFAOYSA-N	301.346	1.302	50	20	DDGD	
COC(=O)N1CCC[C@@H](NC(=O)NNc2ccc(F)cc2)C1	726717244	OXONXJSWEBCUJY-GFCCVEGCSA-N	310.329	1.683	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CCN(CC)CC)c1	726442319	YOUSEXSHURCMQZ-UHFFFAOYSA-N	318.446	1.717	50	20	DDGD	
CCSc1cccnc1C(=O)NNC(=O)CC(F)(F)F	825504179	RTVYQZQBPVGJIA-UHFFFAOYSA-N	307.297	1.907	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cccc(C2CCC2)c1	496492551	NBXHDGAYLFMVDG-UHFFFAOYSA-N	305.334	1.670	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@]2(O)CCCC2(C)C)cn1	491044809	DCKKKWLOBYLRHP-ROCHPLJESA-N	302.378	1.384	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc([N+](=O)[O-])o1	826448990	WNYUGCHKANFNSW-UHFFFAOYSA-N	315.249	1.125	50	20	DDGD	
CCN(CC)C(=O)c1ccc(C(=O)NN(C)[C@@H](C)CO)cc1	823959165	CEUCEIOMKMAGNL-LBPRGKRZSA-N	307.394	1.126	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@@H](CO)Cc1ccncc1Cl	491157784	ALFYHTIZNMPJKT-CDDSVFCYSA-N	323.780	1.446	50	20	DDGD	
Cc1nn(-c2ccccc2)c(C)c1CC(=O)NN(C)[C@@H](C)CO	823983588	XJDOXFNAEITLHV-LBPRGKRZSA-N	316.405	1.375	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2cccc(-c3nn[nH]n3)c2)CCO1	824857721	FBRSDXYDSLNBMO-SECBINFHSA-N	300.322	1.151	50	20	DDGD	
OB(O)c1ccc(CNC[C@H]2CC23CCSCC3)c(F)c1	585048215	LEOJKRYQXOPRHJ-GFCCVEGCSA-N	309.215	1.128	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(CC)c1ncc(C(=O)OC)s1	491128727	DZYKFYNQBSJSNL-HJWRWDBZSA-N	309.347	1.727	50	20	DDGD	
N#CCc1cccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1	826382450	FPTSRBMZOUYLBP-UHFFFAOYSA-N	319.328	1.690	50	20	DDGD	
C#C[C@H](CC)NC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	491729611	IOQLAXOHXWEMGR-LLVKDONJSA-N	303.366	1.500	50	20	DDGD	
CCOC(=O)[C@@H]1CCCN(CC(=O)NNc2ccc(F)cc2)C1	900091392	ZKLFEASAKZWXEX-GFCCVEGCSA-N	323.368	1.544	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)o1	585035723	YELNQMWUKQVQKU-HIFRSBDPSA-N	319.141	1.108	50	20	DDGD	
Cc1ncsc1C(=O)NN=Cc1ccc(-c2nn[nH]n2)s1	822482737	YUDAHIKICAMQID-UHFFFAOYSA-N	319.375	1.457	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCc2cccnc2Cl)n1	829487331	CMTOXZVDTGIHIE-UHFFFAOYSA-N	321.768	1.918	50	20	DDGD	
CC1(C)CCc2cccc(NCc3ccc(B(O)O)o3)c2O1	585049043	JGYKTZRXBASJOX-UHFFFAOYSA-N	301.151	1.675	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCCN(C)c2ccccc21	828322228	UACLUFBVANVLLG-UHFFFAOYSA-N	304.394	1.136	50	20	DDGD	
Cc1ccc(C2(C(=O)Nc3cccc(B(O)O)c3)CCC2)cc1	584911210	HGKJHHOFZOJZNP-UHFFFAOYSA-N	309.174	1.735	50	20	DDGD	
Cc1ccccc1NNC(=O)c1sccc1-c1nn[nH]n1	737436261	PSEZMTKTUCQUCJ-UHFFFAOYSA-N	300.347	1.994	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccnc(NC2CCC2)c1	900382716	HEYWJZQSUZVCPE-UHFFFAOYSA-N	305.382	1.790	50	20	DDGD	
CCn1nnc(C)c1/C=C(/C#N)C(=O)NCCc1ccccc1	491175047	JJJSTHQEAYTLLK-PTNGSMBKSA-N	309.373	1.872	50	20	DDGD	
C=CCN(Cc1cccc(C#N)c1)[C@@H](C)C(=O)NNC(=O)CC	731849661	CLYLGKPMAGGYRN-ZDUSSCGKSA-N	314.389	1.492	50	20	DDGD	
C[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)C1CCC(F)CC1	585005579	IZWSOYUQKBWGHR-GRZMOONWSA-N	311.137	1.152	50	20	DDGD	
CC(C)OCCCCNC(=O)NNC(=O)[C@H]1CCCCO1	836393816	PQGDCACRKYSPIR-GFCCVEGCSA-N	301.387	1.091	50	20	DDGD	
COC(=O)c1cc(OC(=O)c2cnccn2)ccc1[N+](=O)[O-]	732653252	LQFHBZRUQPKQLQ-UHFFFAOYSA-N	303.230	1.391	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2	839661459	BZPBVVWKIWNLKS-CYZMBNFOSA-N	316.357	1.087	50	20	DDGD	
COc1ccccc1C=NNC(=O)Cc1cc(O)nc(S)n1	730587694	QPUMNXXKGCBBGT-UHFFFAOYSA-N	318.358	1.172	50	20	DDGD	
CCC(C)(C)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	837306089	WHRFRWRIXCQLBI-UHFFFAOYSA-N	309.322	1.561	50	20	DDGD	
CC[C@H]1CCCCN1CC(=O)NNC(=O)c1ccc(C#N)cc1	839464917	RCLBQVQLVCWQFE-HNNXBMFYSA-N	314.389	1.584	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1cc(O)cs1	731865742	FTOPIAHCDCGJJN-LLVKDONJSA-N	320.326	1.055	50	20	DDGD	
C[C@@H]1CC[C@@H](CNC(=O)NNC(=O)c2cccc(Cl)c2)O1	838738821	GQMVVKCNLOJSJV-SKDRFNHKSA-N	311.769	1.852	50	20	DDGD	
CC(C)N(C)Cc1ccc(NCc2ccc(B(O)O)cc2)cc1	585045410	HRJJMZQODNGVKO-UHFFFAOYSA-N	312.222	1.819	50	20	DDGD	
Nc1ccc2c(c1)CCCC2=NNC(=O)C(=O)N1CCCC1	834950580	XTXJEILPQQMLMH-UHFFFAOYSA-N	300.362	1.048	50	20	DDGD	
CCO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1cccc(C#N)c1	836277247	VQSIHXVBIQJISO-ZIAGYGMSSA-N	316.361	1.460	50	20	DDGD	
COCCN(C)NC(=O)CNc1cccc(C(F)(F)F)c1	837623741	SCTMFMIDMWICHD-UHFFFAOYSA-N	305.300	1.727	50	20	DDGD	
C[C@H](Sc1nncn1C)C(=O)NNc1cccc(C(=O)O)c1	833544973	LKQPFTITORMUGT-QMMMGPOBSA-N	321.362	1.137	50	20	DDGD	
O=C(CCc1ccc2[nH]ccc2c1)NNC(=O)[C@@H]1CCCCO1	833243969	ZCZBEAJVASMAAQ-HNNXBMFYSA-N	315.373	1.817	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](CC)N(C)C(=O)OC(C)(C)C	831858732	SSXBHHZUWDYHEV-JTQLQIEISA-N	316.402	1.324	50	20	DDGD	
OB(O)c1ccc(-c2noc(COCC3CCCC3)n2)cc1	585053839	IBSFVOOOZSYGEV-UHFFFAOYSA-N	302.139	1.123	50	20	DDGD	
Cc1cccc(NS(=O)(=O)c2cc(C(=O)NN)ccc2C)c1	731450825	NXUIBDDKTPATMD-UHFFFAOYSA-N	319.386	1.708	50	20	DDGD	
COc1cc(C)cc(C(=O)NNC(=O)c2ccccc2O)c1O	730103614	FFJIZAGEWZOWCT-UHFFFAOYSA-N	316.313	1.490	50	20	DDGD	
O=C(NCCCOCc1ccccc1)NNC(=O)C1CCC1	732238138	KHKBVHCFEAQATR-UHFFFAOYSA-N	305.378	1.724	50	20	DDGD	
O=C(CCN1CCN(c2ccccc2)CC1)NN=C1CCOC1	731923463	MMEPDNVLFDBTAF-UHFFFAOYSA-N	316.405	1.091	50	20	DDGD	
C[C@]1(C(=O)N[C@H]2CCN(CC(F)F)C2)C[C@H]1Br	910942023	RFSJRVBICFBMNG-RNSXUZJQSA-N	311.170	1.616	50	20	DDGD	
CO[C@H]1C[C@@H](NCC(=O)NNC(=O)c2cccc(C)c2)C1(C)C	831338487	IYLZXXOVUKPDLC-KGLIPLIRSA-N	319.405	1.159	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccccc1OC1CCC1	833250183	DKPLLYNCFXTJFF-OAHLLOKOSA-N	318.373	1.948	50	20	DDGD	
CC(C)N1CCC(NC(=O)NNc2ncc(F)cc2F)CC1	837350405	RFBSTERSJMGHSO-UHFFFAOYSA-N	313.352	1.859	50	20	DDGD	
Cn1cccc1C(=O)NN=C1CCN(CC(F)(F)F)CC1	915957285	SCSSJXOQVIUMSC-UHFFFAOYSA-N	302.300	1.769	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H](C)CC(=O)O	832622982	KWMWTVLZQGSRBS-QMMMGPOBSA-N	311.363	1.124	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cccc2c1OCO2	915959589	GJMBHQFQZMCXMZ-UHFFFAOYSA-N	304.331	1.526	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H](COC)C(C)C)cc1	743637013	IVHDRBMLVAFETQ-AWEZNQCLSA-N	307.394	1.864	50	20	DDGD	
CC(C)(C)C(=O)NN=Cc1cnc2cnc(Br)cn12	746369354	RLHNGWPUHGUAMQ-UHFFFAOYSA-N	324.182	1.988	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC[C@H](C)OC)c1F	838185431	GTAZMYVUWGZRFE-VIFPVBQESA-N	313.329	1.663	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc2c(c1)CCCC(=O)N2	917180822	ZKSSUSLLHKMGHE-UHFFFAOYSA-N	303.362	1.769	50	20	DDGD	
C[C@@H]1CCCc2ncc(C(=O)NNC(=O)Cc3ccncc3)n21	844416081	XVKNJZJHYIJZNU-LLVKDONJSA-N	313.361	1.179	50	20	DDGD	
C[C@H](CCN)NC(=O)NNc1ccc(C#N)cc1C(F)(F)F	841967860	QQMCMLWWEMBECX-MRVPVSSYSA-N	315.299	1.940	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1ncccc1C(F)(F)F	740092321	ZTKZQWWTJABSHG-VIFPVBQESA-N	321.299	1.985	50	20	DDGD	
Cc1nnc(NNC(=O)CC2C3CC4CC(C3)CC2C4)nc1O	846627762	ICKUSWPYQVZFIA-UHFFFAOYSA-N	317.393	1.791	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)c1cccc(Cl)c1)C(C)C	743638910	SRCWABRCZQLPOA-GFCCVEGCSA-N	313.785	1.955	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](C)Cc2cnc[nH]2)c1F	848208570	FSJBAOXBRWPIQY-VIFPVBQESA-N	320.324	1.657	50	20	DDGD	
O=C(O)NNC(=O)Nc1ccc(OCC2CCOCC2)cc1	740003671	RWSXSHFGSQOXJQ-UHFFFAOYSA-N	309.322	1.796	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1nc2ccccc2o1	843643643	CUEGUSZYQDRYNG-MNOVXSKESA-N	317.345	1.333	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@@H](CO)[C@@H]1C	840564756	TWDLTTYMJMIKTB-AAEUAGOBSA-N	313.829	1.972	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccc3nncn3c2)o1	749941705	MYGILAYFJKWILI-UHFFFAOYSA-N	311.305	1.469	50	20	DDGD	
CCC(=NNC(=O)[C@@H](C)CN1CCOCC1)C1CCOCC1	745198838	RTZOAKAJNIGWBJ-ZDUSSCGKSA-N	311.426	1.264	50	20	DDGD	
O=C(NCC(=O)N1CCCCC1)NNc1ccc(F)c(F)c1	914084729	OLSILVQQQRJPNB-UHFFFAOYSA-N	312.320	1.603	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(O)nc(C3CC3)n2)o1	847555051	NDVLUQDRUUQBLE-UHFFFAOYSA-N	302.290	1.036	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(C#N)ccc1Cl	843655544	MTSSTDFZBGVALF-WCBMZHEXSA-N	307.737	1.398	50	20	DDGD	
CS[C@@H](C)CNC(=O)NNc1ncc(Br)cn1	847340774	FZEWJPHFRSELEN-LURJTMIESA-N	320.216	1.617	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)COc1ccc(F)cc1)C(F)(F)F	742478073	MSKKMQVPHQLVIZ-ZETCQYMHSA-N	308.231	1.550	50	20	DDGD	
CSCC1(CC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)CC1	844300470	MEKOGMCMGGKXTG-LLVKDONJSA-N	320.480	1.012	50	20	DDGD	
CN(C)c1nccc(NNC(=O)COc2ccc(F)cc2)n1	740103227	XKYWSNUDCOJQGL-UHFFFAOYSA-N	305.313	1.204	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H]2CC23CCCC3)cn1	747523121	AXEPCIYMNRYGEI-NSHDSACASA-N	320.418	1.988	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC(=O)CC12CCC2	846994774	CZFXXVPFDJRQQC-LBPRGKRZSA-N	309.410	1.156	50	20	DDGD	
Cc1cc(C(=O)NN=C2C(=O)Nc3c2cccc3C(C)C)n[nH]1	841630118	HEMIULVXJGAGFO-UHFFFAOYSA-N	311.345	1.928	50	20	DDGD	
CC(C)c1ccccc1C=NNC(=O)N[C@H]1CCS(=O)(=O)C1	848402993	LAMOXTNGNPZREW-ZDUSSCGKSA-N	323.418	1.630	50	20	DDGD	
CC(=NNC(=O)C(C)C)c1cccc(N2CCCS2(=O)=O)c1	741161946	NIPVTFZZZVBPHV-UHFFFAOYSA-N	323.418	1.723	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1cc(Br)c[nH]1	842550028	USZVLGZLVLMHKP-XCBNKYQSSA-N	300.156	1.652	50	20	DDGD	
O=C(CC1CCNCC1)NNc1ncc(Br)cn1	848435944	ADQHJCAFEKMZFP-UHFFFAOYSA-N	314.187	1.072	50	20	DDGD	
O=C(NNc1ccncn1)C1CCN([C@@H]2CCSC2)CC1	848163303	JIWADCFRARXINT-GFCCVEGCSA-N	307.423	1.137	50	20	DDGD	
C[C@H](CN)NC(=O)NNC(=O)Cc1ccc2ccccc2c1	841969149	IPBKAXJGNJLUOY-LLVKDONJSA-N	300.362	1.060	50	20	DDGD	
C[C@@H]1CCC(=O)CN1C(=O)NC[C@@]1(C)C[C@@H]1Br	923375237	ZVJCGPAKTXVMOL-UBHAPETDSA-N	303.200	1.923	50	20	DDGD	
CCOC(=O)N1CCC(C)(C=NNC(=O)c2ncccn2)CC1	853360178	XIFWXAGBHFPZHA-UHFFFAOYSA-N	319.365	1.451	50	20	DDGD	
C[C@H](CN(C)C(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CCCCC1	858701129	HYMVQHULVCVEKB-DGCLKSJQSA-N	324.425	1.154	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H](C)N(CC)C(=O)OC(C)(C)C	858112837	VFQBWKDKLOWFOP-VIFPVBQESA-N	303.359	1.409	50	20	DDGD	
CC[C@@]1(C)CCN(CC(=O)NNC(=O)Cc2nc(C)cs2)C1	758744857	CFLNMSINFYFABC-HNNXBMFYSA-N	324.450	1.263	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(C)n(-c2ccccc2)n1	757882506	QCSQZBUNUOFPLZ-UHFFFAOYSA-N	317.349	1.370	50	20	DDGD	
O=C(NCC1(C(=O)O)CCC1)NNc1ncnc2ccsc12	851654356	ZNEHOKAIUDBHIC-UHFFFAOYSA-N	321.362	1.572	50	20	DDGD	
CCn1ccnc1C=NNC(=O)CCc1ccc(OC)cc1	755661281	LUHRUIYUBYZEDR-UHFFFAOYSA-N	300.362	1.995	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNC(=S)Nc1cccc(C)c1	758910283	UIFVEHBVALTNGY-JTQLQIEISA-N	309.391	1.512	50	20	DDGD	
CC1=C(C(=O)NC[C@@]2(C)C[C@@H]2Br)C(=O)OC1(C)C	857400952	JXTVPSKDXDXAFM-ISVAXAHUSA-N	316.195	1.928	50	20	DDGD	
CCN(CC)c1ccc(C=NNC(=O)NCCCOC)c(O)c1	920832978	AWXCEMIJTXTBLM-UHFFFAOYSA-N	322.409	1.908	50	20	DDGD	
C#CCNC(=S)NNC(=O)c1ccc(OCCC(C)C)cc1	758176602	QHDYDZYTELEVHJ-UHFFFAOYSA-N	319.430	1.854	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C\c1cccc(NS(C)(=O)=O)c1	853003099	CXKQGTBEIFWCOD-LCYFTJDESA-N	321.402	1.881	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2CC[C@@H]2C(N)=O)c1C	854186548	NIPZPFGNGWTVCE-QWRGUYRKSA-N	320.418	1.133	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@H](C)OCC(C)C	920805908	VHTDZHZERKSESN-LBPRGKRZSA-N	323.393	1.316	50	20	DDGD	
O=C(NCCCc1nc[nH]n1)NNc1cccc(F)c1Cl	923130935	CTAQDQSMYAZQRB-UHFFFAOYSA-N	312.736	1.856	50	20	DDGD	
COCCCn1cc(C(=O)NNC(=O)NC2CCCCC2)cn1	858130442	LRXAZYNLVUOZNJ-UHFFFAOYSA-N	323.397	1.196	50	20	DDGD	
O=C(NNc1cc(F)cc(Cl)c1)N[C@H]1CCS(=O)(=O)C1	853202494	GCBYLSHKIAOPBN-VIFPVBQESA-N	321.761	1.292	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@@]2(C)CCOC2)o1	755150397	LMUTVUVVGMKLRA-INIZCTEOSA-N	323.393	1.309	50	20	DDGD	
O=C1Nc2cccc(Cl)c2C1=NNC(=O)c1ccncc1	750911960	IJUXGWONULXFHE-UHFFFAOYSA-N	300.705	1.821	50	20	DDGD	
CC(C)OCCCCNC(=O)NNC(=O)c1cccc(F)n1	852250088	XDMHDAYLABVWIN-UHFFFAOYSA-N	312.345	1.370	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C)cc1Cl	755655806	RWRFNSOADDVSBL-SECBINFHSA-N	312.753	1.751	50	20	DDGD	
C[C@]1(CNC(=S)NC2CCOCC2)C[C@H]1Br	857204401	RETXFFPRTGZOAU-MWLCHTKSSA-N	307.257	1.803	50	20	DDGD	
CC(C)[C@@H]1CCC[C@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1	858699244	MZNNFCUCMOBTHB-AGIUHOORSA-N	324.425	1.200	50	20	DDGD	
C[C@]1(CCC(=O)NNc2ccc(F)c(F)c2F)CCC(=O)N1	753435519	SRUZGZQKUKIBAL-CQSZACIVSA-N	315.295	1.996	50	20	DDGD	
CC(C[C@@H]1CCOC1)=NNC(=O)c1cc([N+](=O)[O-])ccc1O	751528882	LASLAIPFJIUDEU-JTQLQIEISA-N	307.306	1.833	50	20	DDGD	
O=C(NNc1ccccc1Cl)N[C@@H]1CCCS(=O)(=O)C1	758660126	APVPOXSZLXORGL-SECBINFHSA-N	317.798	1.543	50	20	DDGD	
COc1cc(C(=O)NN=CC2CCOCC2)cc(OC)c1OC	755481331	NEKVLIBBCHCSIX-UHFFFAOYSA-N	322.361	1.855	50	20	DDGD	
O=C(NN=C[C@H]1CCOc2ccccc21)C(=O)N1CCCC1	752164411	HDJGJSXMBQCZOD-GFCCVEGCSA-N	301.346	1.277	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@@H]1[C@H](C)[C@@H](OC)C1(CC)CC	759604972	NLKBOCDZXJBTTJ-CDGCEXEKSA-N	313.442	1.362	50	20	DDGD	
COCCOCC(=O)NNC(=S)Nc1cc(C)cc(C)c1	865245004	YDWANNKYEGJQSS-UHFFFAOYSA-N	311.407	1.284	50	20	DDGD	
CCC[C@@]1(C)C(=O)NCCN1S(=O)(=O)CC(C)(C)CCl	867156211	MSAFEELSDPZZJM-ZDUSSCGKSA-N	324.874	1.572	50	20	DDGD	
Cc1cccc(OCCCC(=O)NNC(=O)c2cn[nH]c2)c1	862473836	GLCYRKVWDOBGAV-UHFFFAOYSA-N	302.334	1.338	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc(CS(C)(=O)=O)cc1)C(F)(F)F	862303924	CVCDURIGEGATAN-MRVPVSSYSA-N	324.324	1.416	50	20	DDGD	
CCNC(=O)N(C)N=Cc1ncc(Br)cc1F	863106205	QCERBWXAIUAGSL-UHFFFAOYSA-N	303.135	1.978	50	20	DDGD	
C[C@H](C(=O)NNc1nccc(N2CCOCC2)n1)C1CCCC1	762851761	FONQOUYNYXTVST-LBPRGKRZSA-N	319.409	1.583	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	760040043	RYANRFZINKOZCE-UHFFFAOYSA-N	320.261	1.068	50	20	DDGD	
O=C(NNc1ccc(Br)nc1)[C@H]1C[C@]12CCOC2	764463416	VVTYVQKSTDGBHQ-SKDRFNHKSA-N	312.167	1.714	50	20	DDGD	
C[C@H](NNC(=O)c1cnc(N(C)C)c(Cl)c1)C(F)(F)F	862322318	KHBZBMKGIDYIEC-LURJTMIESA-N	310.707	1.986	50	20	DDGD	
CC(C)n1cc2c(n1)[C@H](NC(=O)NNC(=O)C1CCC1)CCC2	765924809	VFAMDBCKKGSVBH-CYBMUJFWSA-N	319.409	1.972	50	20	DDGD	
O=C1NCCC[C@H]1C(=O)NNc1ccc(C(F)(F)F)cc1	866873442	SGAJUJBOWFIZHT-SNVBAGLBSA-N	301.268	1.675	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1cnn2ncccc12	765280435	BPEZGKNCLXEHOH-UHFFFAOYSA-N	309.329	1.123	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNc1nc2ccccc2[nH]c1=S	862291229	HMRYZDWEMROUMR-MRVPVSSYSA-N	319.390	1.650	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CN(C)C2CCC2)c1	863851825	SAVIDEDONDKACY-UHFFFAOYSA-N	305.378	1.006	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)OC[C@H]2COC(=O)O2)cc1	763872912	UYQVUZGFOFUFFD-GXJZLWQJSA-N	303.270	1.681	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1csc(O)n1	769674771	BZGHBJNVANPUKS-UHFFFAOYSA-N	321.402	1.826	50	20	DDGD	
CC[C@H](C(=O)NNc1cncc(Br)c1)C(=O)OC	1116952053	QIANOWBPDXCIAY-SECBINFHSA-N	316.155	1.486	50	20	DDGD	
COc1cccc2c1CCCC2=NNC(=O)[C@@H]1CCC(=O)N1	863153678	YYWGXZNZILTXTA-ZDUSSCGKSA-N	301.346	1.130	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2cnc3nccnc3c2)nn1	1116579902	ZQNLQNQSQOVIIW-UHFFFAOYSA-N	323.360	1.869	50	20	DDGD	
CCOc1cc(C=NN(C)C(N)=O)cc(Br)c1O	767909289	LZKJYUZYHWLXQF-UHFFFAOYSA-N	316.155	1.898	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2ccc(C#N)cc2)cc1	1115927236	LWJSYJBQRRLZQN-UHFFFAOYSA-N	309.325	1.571	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1ccc2c(c1)OCO2	768577545	DTGQSMOENURMSM-UHFFFAOYSA-N	316.342	1.442	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNc2nc3ccccc3[nH]2)C1	768516158	VOAKRVJARAAUFZ-JTQLQIEISA-N	301.350	1.265	50	20	DDGD	
C[C@H](C[C@@H](O)c1ccccc1)NS(=O)(=O)CBr	769933921	KEJNZDWMNDNWMS-MWLCHTKSSA-N	322.224	1.770	50	20	DDGD	
COCCOc1cccc(NC(=O)NNC(=O)C(C)(C)C)c1	769970952	KDNYXKXCGMXKSM-UHFFFAOYSA-N	309.366	1.911	50	20	DDGD	
COCCN(C)NC(=O)Nc1cncc(Br)c1	879030279	HRPXHZHDVJISPX-UHFFFAOYSA-N	303.160	1.459	50	20	DDGD	
CN(C)c1cccc(Cl)c1C=NNC(=O)N1CCOCC1	1116414536	TUKUCQXYLNTEME-UHFFFAOYSA-N	310.785	1.782	50	20	DDGD	
COCc1ccc(NC(=O)NNC(=O)C2CCOCC2)cc1	879385195	LPKOXOWBJBDXNK-UHFFFAOYSA-N	307.350	1.412	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC2(N(C)C)CCC2)cc1	1116720290	LATDVLAWYNBPRF-UHFFFAOYSA-N	320.393	1.124	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cscc1Cl	873803757	STBGYDPWUSQCJA-LURJTMIESA-N	303.771	1.534	50	20	DDGD	
CCC(CC)[C@@H](C(=O)NCCCSC#N)N1CCOCC1	773572490	RMDBCKCSZQQWRP-AWEZNQCLSA-N	313.467	1.844	50	20	DDGD	
CC(C)(C)[C@H](O)C(=O)NNC(=O)c1nc2ccccc2s1	874913633	GHQBXHWIQHSNMG-SNVBAGLBSA-N	307.375	1.464	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2ccccc2)c(F)c1	771848098	XOFHOMGBPGNVFN-UHFFFAOYSA-N	316.288	1.687	50	20	DDGD	
CCCn1cc(C=NNC(=O)Cc2ccccc2OC)nn1	872344837	PDRFMWALCXGCJK-UHFFFAOYSA-N	301.350	1.390	50	20	DDGD	
CC(Cl)(Cl)C(=O)NNC(=O)c1ccc2c(c1)OCO2	777271189	VGZRBASWRINWIK-UHFFFAOYSA-N	305.117	1.370	50	20	DDGD	
CNC(=O)Cc1ccc(NC(=O)NNc2ncc(F)cn2)cc1	775477022	MFZNGLXHZCYUIE-UHFFFAOYSA-N	318.312	1.053	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1csc([C@H]2CCCO2)n1	887145452	FAKZHIMKZPEFLI-LLVKDONJSA-N	307.375	1.559	50	20	DDGD	
BrC/C=C/n1cc(CN2CCSCC2)nn1	881295058	JOYHTDRKFKOBCX-HNQUOIGGSA-N	303.229	1.693	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C(C)[C@@H]1CCCOC1	779759413	KEQWSUAWHGWCQG-CYBMUJFWSA-N	306.362	1.993	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(C)nc1Br	887145649	LXAOYXDJMJFCHJ-UHFFFAOYSA-N	324.178	1.717	50	20	DDGD	
C[S@](=O)c1cccc(C(=O)NNC(=O)c2ccccc2O)c1	770224134	ZMXDUTHXGSYKNV-QFIPXVFZSA-N	318.354	1.204	50	20	DDGD	
CCCn1cccc1C=NNC(=O)CNC(=O)OC(C)(C)C	777903877	DFRXFNTVEWUYKN-UHFFFAOYSA-N	308.382	1.873	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NC[C@@H]1C=CCC1	883832829	MFVRCEZBKCBLAV-CYBMUJFWSA-N	317.389	1.924	50	20	DDGD	
CN1C[C@@H](NC(=O)CCCC[C@@H]2CCSS2)C(=O)N1	777771240	GFKDJCHDKNKIPV-NXEZZACHSA-N	303.453	1.162	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C1CCOCC1)N1CCc2ccccc21	883061989	NRAMOBZNZUCWIQ-LBPRGKRZSA-N	317.389	1.012	50	20	DDGD	
O=C(CN1CCC[C@@H]1/C=C/c1ccccc1)NNC(=O)C1CC1	780396914	CVRMOWBYNOFCDH-YCABEKBOSA-N	313.401	1.722	50	20	DDGD	
COCCOc1ccc(C(C)=NNC(=O)C(C)(C)O)cc1OC	785460979	PUVUHQYCFYGCFI-UHFFFAOYSA-N	324.377	1.332	50	20	DDGD	
CCn1[nH]c(C)nc1=NC(=O)NNc1ccc(Cl)c(OC)c1	888538059	BYHLXJMVQFVXQY-UHFFFAOYSA-N	324.772	1.839	50	20	DDGD	
CC(C)CC[C@H]1CCCN1C(=O)NNC(=O)c1cccnn1	883851631	WIIRAVKDMXUYQM-GFCCVEGCSA-N	305.382	1.732	50	20	DDGD	
CC(=O)N1CC(C(=O)NNC(=O)c2ccc3ccccc3c2)C1	788499246	VVJWFCKCBJOWMI-UHFFFAOYSA-N	311.341	1.079	50	20	DDGD	
Cn1ccc(C(=O)NNc2nnc(-c3ccccn3)s2)n1	788559069	WADNEBKFVSROHL-UHFFFAOYSA-N	301.335	1.091	50	20	DDGD	
COc1ccc(C(=O)NNc2ncncc2Cl)cc1OC	781833088	BJOFJMZGQKJAMA-UHFFFAOYSA-N	308.725	1.904	50	20	DDGD	
CCSC1(CNC(=O)NNC(=O)C2CCOCC2)CC1	883727285	QVZIDWWGFSRTAD-UHFFFAOYSA-N	301.412	1.029	50	20	DDGD	
COCC1(C(=O)NNc2ccc(OC)cc2[N+](=O)[O-])CCC1	786392509	NTEJJBZVBBXUHD-UHFFFAOYSA-N	309.322	1.863	50	20	DDGD	
C[N+](C)(C)CC(=O)NN=Cc1csc2ccc(C(=O)O)cc12	1120245394	IJFQWBOFCZQWRH-UHFFFAOYSA-O	320.394	1.756	50	20	DDGD	
COCCn1cc(NC(=O)NNc2ncncc2Cl)cn1	780170761	DYPHOPPJAXKQKG-UHFFFAOYSA-N	311.733	1.122	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)n1	785701630	MJONBNMXZHGNAW-UHFFFAOYSA-N	314.132	1.197	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2ncncc2Cl)CN1C1CC1	780998421	UYORTHZXPUVLEB-RKDXNWHRSA-N	310.789	1.381	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(NC(C)C)nc1	787251578	IMOXVEYFWPDACS-JTQLQIEISA-N	322.365	1.005	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2CC2)c(OCC(C)C)c1	788671117	GEPZXTXKHPUUPC-UHFFFAOYSA-N	306.362	1.901	50	20	DDGD	
Cc1nc(NC(=O)C(=O)NNC(=O)C2CCCC2)sc1C	789733243	IWCSNNYQFUNFDN-UHFFFAOYSA-N	310.379	1.036	50	20	DDGD	
N#Cc1cccc(C(=O)NNS(=O)(=O)CCCCCl)c1	788059917	XKQOWJCCGMSIEU-UHFFFAOYSA-N	315.782	1.141	50	20	DDGD	
C=C[C@H](CC)CC(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1	891767216	DREWWGFEMPGWQB-HZSPNIEDSA-N	311.426	1.235	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)NC2(C)CC2)cc1OC	789160652	CPHUXPLNSOWTKW-UHFFFAOYSA-N	309.391	1.365	50	20	DDGD	
C=C1CCC(C(=O)NNC(=O)COc2ccc(C#N)cc2)CC1	899939838	CPTBALJJWLVPEZ-UHFFFAOYSA-N	313.357	1.831	50	20	DDGD	
COc1cccc(C2=NO[C@H](C(=O)NNc3cnccn3)C2)c1	792333612	VGHATQZXHNOYSZ-ZDUSSCGKSA-N	313.317	1.122	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2cc[nH]c2)cc1C	798307051	ILDSPCBJPSQNPY-UHFFFAOYSA-N	300.318	1.031	50	20	DDGD	
CCNC(=O)NNS(=O)(=O)c1cccc(-c2ccccc2)c1	795303057	SLGOIYCBEBXOQQ-UHFFFAOYSA-N	319.386	1.866	50	20	DDGD	
COc1cccc(NCC(=O)NN=Cc2ncc(Cl)n2C)c1	799473440	FMQBLNWUGPOTSM-UHFFFAOYSA-N	321.768	1.644	50	20	DDGD	
CSSCCNC(=O)NCC1CCS(=O)(=O)CC1	790797515	SQCQVNNLADNMNH-UHFFFAOYSA-N	312.482	1.122	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F)[C@H](C)O	790070209	LRKWTHPSYSDVKL-AXFHLTTASA-N	312.341	1.147	50	20	DDGD	
CC(C)c1ncc(CN(C)C(=O)NNC(=O)C(C)(C)C)cn1	799370693	TYRMECMUXGKASN-UHFFFAOYSA-N	307.398	1.819	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCC[C@](C)(C#N)C2)n1	793227592	FHABFKNVYAREJL-OAHLLOKOSA-N	301.350	1.370	50	20	DDGD	
COc1ccnc(NNC(=O)c2ncoc2[C@@H]2CCCO2)n1	1318576371	GJXHBLHKSPNANM-QMMMGPOBSA-N	305.294	1.082	50	20	DDGD	
CSc1cccc(NC(=O)NNC(=O)C2CCNCC2)c1C	1325319822	QDJHPUVKRKCWLT-UHFFFAOYSA-N	322.434	1.869	50	20	DDGD	
Cc1nnc(C(=O)NNc2cncc(Br)c2)s1	1329209365	NAQNQFWKFNPSHA-UHFFFAOYSA-N	314.168	1.761	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)c1cnc(C2CC2)[nH]1	1320598169	TWPDESCSKXRSOF-UHFFFAOYSA-N	318.308	1.266	50	20	DDGD	
O=C(NNc1ncccn1)c1ccc(-c2ccccn2)nc1O	1251364846	PRFDXQDSRFUTSV-UHFFFAOYSA-N	308.301	1.396	50	20	DDGD	
CC(=NNC(=O)c1n[nH]c2c1CCCC2)c1cncc(F)c1	1339327190	IBFKSOUGBQOWNQ-UHFFFAOYSA-N	301.325	1.977	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2cc(C(C)(C)C)nn2C)cn1	1347772379	XOMYERALXRQMHR-SDQBBNPISA-N	312.377	1.997	50	20	DDGD	
O=C(NNC(=O)c1cncn1-c1ccccc1)NOCC1CC1	1344555240	ULAAPZHPPKMYFP-UHFFFAOYSA-N	315.333	1.158	50	20	DDGD	
C[C@@]1(CNC(=O)[C@H](N)Cc2ccccn2)C[C@H]1Br	1263163448	PHVLUOSXFZJLLW-WZRBSPASSA-N	312.211	1.241	50	20	DDGD	
CCNC(=O)NNC(=O)c1cccc(Br)c1OC	1519035891	BILOPFYRFKKILU-UHFFFAOYSA-N	316.155	1.422	50	20	DDGD	
Cc1ccc(/C=C(\C#N)C(=O)OCC(=O)C2(C(=O)O)CC2)cc1	1607768278	OHTHVIWILPYBNO-MDWZMJQESA-N	313.309	1.879	50	20	DDGD	
O=C(/C=C/c1cccc(O)c1)NNc1ccc(-c2nn[nH]n2)cc1	1606481478	BXHQHBLHGBKADL-RUDMXATFSA-N	322.328	1.729	50	20	DDGD	
Cc1cc(NNC(=O)C23CCC(C(=O)O)(CC2)CC3)nc(N)n1	1607695717	MZHXJUCWXGURLN-UHFFFAOYSA-N	319.365	1.236	50	20	DDGD	
O=C(NNC(=O)C(=O)O)N[C@H]1CCCC[C@H]1Cc1ccccc1	1608476884	AXEHPNLPLONVQE-STQMWFEESA-N	319.361	1.203	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)/C=C\c2ccc(C(=O)O)o2)n1	1607959306	LKWCEHZPOPXYNI-HYXAFXHYSA-N	322.708	1.886	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CCc1ccc(C(=O)O)cc1	1603903749	BMLKONDTDWRIEW-UHFFFAOYSA-N	309.391	1.221	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)oc1C(=O)O	1607580227	MHEWSJUOMUJKPR-UHFFFAOYSA-N	320.276	1.429	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1cnnc(C)c1	1610288382	MYNSTQULKRAYSO-UHFFFAOYSA-N	302.290	1.249	50	20	DDGD	
C[C@@H]1C(=NNC(=O)[C@@H]2CCCO[C@@H]2c2ccnn2C)CCN1C	1549904040	FINQKKKQURGMAO-JMSVASOKSA-N	319.409	1.084	50	20	DDGD	
CCn1cc([C@H]2OCC[C@H]2C=NNC(=O)c2cnn(C)c2)cn1	1552449249	JCNUJJSWLZWMSN-FZMZJTMJSA-N	316.365	1.130	50	20	DDGD	
C[C@H](O[C@@H]1CS(=O)(=O)C[C@H]1Br)C(F)(F)F	253111348	DHJZGHQIXFVJGO-KVQBGUIXSA-N	311.119	1.514	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)[C@@H]2CCCNC2)CCc2ccccc21	1576349712	HBHWJIGQUJLQKP-CXAGYDPISA-N	301.390	1.038	50	20	DDGD	
CC[C@H](CNC(=O)NNc1ccc([N+](=O)[O-])cc1F)C(=O)O	1589539500	VHHZHVSLZSYSNE-SSDOTTSWSA-N	314.273	1.471	50	20	DDGD	
C=C(C)C[C@H](NC(C)=O)C(=O)NNc1cccc(F)c1C(=O)O	1588548714	XLXXUIXFASWPGB-LBPRGKRZSA-N	323.324	1.438	50	20	DDGD	
CCC[C@H](NC(=O)NNC(=O)C(=O)O)c1ccc(F)cc1F	1595599681	FAXQPDBRJXVWAD-JTQLQIEISA-N	315.276	1.221	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(F)c(C(=O)O)c(F)c1	1596662463	GXJPYAIFBMIUPQ-UHFFFAOYSA-N	303.221	1.446	50	20	DDGD	
COc1cccc(NNC(=O)Nc2ccc(CC(=O)O)cc2)n1	1599680098	YSJGEPOGWIXSQQ-UHFFFAOYSA-N	316.317	1.866	50	20	DDGD	
CNc1nc(C)ccc1C(=O)NNc1ccccc1C(=O)O	1598681444	RNBDZWBOIJBAAC-UHFFFAOYSA-N	300.318	1.887	50	20	DDGD	
Cc1c(C(=O)NNc2ccnc(F)c2)cccc1-c1nn[nH]n1	1591809462	DUAKFFYIUCMJFF-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
Cc1c[nH]ccc1=NNC(=O)Nc1ccc(C(=O)O)cc1F	1594433995	QCWDVYUVKXRMIS-UHFFFAOYSA-N	304.281	1.798	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc(CC(=O)O)cc2)n1	1599722157	AQQKSDVRZTUFHZ-UHFFFAOYSA-N	317.305	1.261	50	20	DDGD	
CC(=NNC(=O)c1cc[nH]n1)c1cc(C(=O)O)c(C)nc1C	1776091912	NGXDAZGBUQPVBJ-UHFFFAOYSA-N	301.306	1.274	50	20	DDGD	
NC(=O)C(=O)NN=Cc1ccc(-c2cccc(C(=O)O)c2)s1	1776016121	XDROMIDHOQFARG-UHFFFAOYSA-N	317.326	1.049	50	20	DDGD	
CC(C)(CC(=O)O)CC(=O)NNC(=O)c1cccc(Cl)c1	16481026	UVHHARQVZGXBFK-UHFFFAOYSA-N	312.753	1.992	50	20	DDGD	
CCc1c(C(=O)NNC(=O)OC)cnn1-c1ccc(F)cc1	158822294	RGQCZQOQDLFDEF-UHFFFAOYSA-N	306.297	1.575	50	20	DDGD	
Cc1noc(CCCC(=O)NNc2cnc3ccccc3n2)n1	163518441	KUPSFTHXEFWKFO-UHFFFAOYSA-N	312.333	1.787	50	20	DDGD	
CS(=O)(=O)CCC(=O)NNc1nc(C(F)(F)F)cs1	153031959	ZVGLEICAPYQKEZ-UHFFFAOYSA-N	317.314	1.040	50	20	DDGD	
CC(=O)CCCC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	178093846	VOKQRGBAWLAZQT-LLVKDONJSA-N	310.325	1.500	50	20	DDGD	
CC(C)(C)c1ncsc1C(=O)NNC(=O)Cc1cccnc1	176766086	ROBNFMQPBBXDCR-UHFFFAOYSA-N	318.402	1.839	50	20	DDGD	
Cc1ocnc1C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	104826664	QUNHHYUSZXHGEP-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
Cc1cc(NNC(=O)c2c(Cl)nc3ccccn23)ncn1	172278469	ZXZPNIXMBHGSTK-UHFFFAOYSA-N	302.725	1.843	50	20	DDGD	
Cc1ccc(NNC(=O)NCCCN(C)CC(F)(F)F)nn1	106264505	XXQTWYQFOVDHQL-UHFFFAOYSA-N	320.319	1.295	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCc1nccs1	67478169	KNZBVRKCVCHJRA-UHFFFAOYSA-N	320.374	1.338	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	61224289	YBPHIGFHCWULGI-UHFFFAOYSA-N	322.708	1.662	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1nc(C)cc(C)c1C#N	110103035	UNDAVOGMVCFINR-JTQLQIEISA-N	306.391	1.608	50	20	DDGD	
COCCCC(=O)NNC(=O)c1cccc(Br)c1	174532548	VVQIYKRIWMNLKB-UHFFFAOYSA-N	315.167	1.637	50	20	DDGD	
CC(C)S(=O)(=O)c1ccc(C(=O)NNc2cnccn2)cc1	114878205	KYJDYVGCCMPPPL-UHFFFAOYSA-N	320.374	1.416	50	20	DDGD	
O=C(NNC(=O)c1cnc2ccc(F)cc2c1)c1cccnc1	179320717	GVOQDVPTOGKHLL-UHFFFAOYSA-N	310.288	1.844	50	20	DDGD	
O=C(NNc1cccc2c1CCCC2)[C@H]1CCS(=O)(=O)C1	120305592	YQQZBPQTMXWPLI-LBPRGKRZSA-N	308.403	1.443	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)n1	127723198	GGOXUKPWCOPAAI-MNOVXSKESA-N	320.397	1.045	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H](C)CCCOC	182607255	WXWFETZRMGGQAD-ZDUSSCGKSA-N	322.405	1.838	50	20	DDGD	
Cc1cccc(NC(=O)NNC(=O)c2ccc(Cl)nc2)n1	123266752	KERAXRGYVAIHLZ-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
COCCCN(C)CCNC(=O)NNc1c(F)cccc1F	74616078	HEYCPMAXSMFESJ-UHFFFAOYSA-N	316.352	1.559	50	20	DDGD	
CN(NC(=O)c1cccc(NC(=O)c2ccco2)c1)C(N)=O	181061277	ZLMYHJJEZKBEMH-UHFFFAOYSA-N	302.290	1.187	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNC(=O)c1ccc[nH]1)C1CCCCC1	126852883	PAFZSQJGXXZWBJ-AWEZNQCLSA-N	321.425	1.469	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Nc1ccncc1C	183448394	VTHUNGXEGFNQCO-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
COc1nccnc1NNC(=O)Cc1c(C)[nH]c2ccccc12	131740060	UKDLYDZROUTDQQ-UHFFFAOYSA-N	311.345	1.961	50	20	DDGD	
CS[C@@H](C)C(=O)NNC(=O)c1cccc(Br)c1	80965765	GTMUDXQCKQGPRY-ZETCQYMHSA-N	317.208	1.962	50	20	DDGD	
O=C(C[C@@H]1CCCOC1)NNc1nnc(-c2ccccn2)s1	194319291	SIJOWZKHMMXXFU-JTQLQIEISA-N	319.390	1.860	50	20	DDGD	
O=C(C[C@H]1CCCOC1)NNC(=O)NCCc1cccs1	192914536	YNSUCKHGFWRTBM-LLVKDONJSA-N	311.407	1.438	50	20	DDGD	
Cc1oc(-c2cccs2)nc1CC(=O)NNC(=O)C(C)(C)O	190058186	WEYYGDCIPUMWTQ-UHFFFAOYSA-N	323.374	1.172	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(-n2ccc(C)n2)cc1	138566592	YXOIMJJSOSRFBC-UHFFFAOYSA-N	315.377	1.925	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)NCCN(C)C)c1C	192647773	IDMDLRMAQQLUBH-LFIBNONCSA-N	318.421	1.336	50	20	DDGD	
O=C(NCCc1ccc2c(c1)OCCO2)NNc1ccccn1	193081279	VPZGZRNXKLSUOV-UHFFFAOYSA-N	314.345	1.722	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@@H]2CC=CCC2)cc1	140946578	IRIQUSQRJRXVOY-GFCCVEGCSA-N	303.362	1.611	50	20	DDGD	
CCC1(CC)[C@@H](NC(=O)NNC(=O)c2ccc[nH]2)[C@H](C)[C@@H]1OC	92791851	YGEKWZZLPXAPJN-DRZSPHRISA-N	322.409	1.798	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCC1CCN(C)CC1	264208829	RNBHPJTVBTZTNF-UHFFFAOYSA-N	318.421	1.671	50	20	DDGD	
O=C(CC[C@H]1CCCCO1)NNC(=O)COc1ccccc1F	264760545	NNMKSEIMIUYQRA-GFCCVEGCSA-N	324.352	1.701	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CC[C@@]2(CCOC2)C1	363988112	PFKIBBCYIUMYAL-MRXNPFEDSA-N	319.361	1.162	50	20	DDGD	
Cc1csc2ncc(C(=O)NNC(=O)OC(C)(C)C)c(=O)n12	271821389	CXUZKOBOWLMHSF-UHFFFAOYSA-N	324.362	1.234	50	20	DDGD	
O=C(NNC(=O)N1CCO[C@@H]2C[C@H]21)c1cc2ccccc2o1	368643934	OSXQKAUMPISWAD-ZYHUDNBSSA-N	301.302	1.260	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H]2CCCCS2)cc1	273108587	QWBURGLHYKZBCE-CYBMUJFWSA-N	307.419	1.840	50	20	DDGD	
CCNC(=O)C1(CNC(=O)NN(C)c2ccccc2)CCC1	277251553	QBHCOBCGSDOFKF-UHFFFAOYSA-N	304.394	1.643	50	20	DDGD	
CC1CCN([C@H](C)CNC(=O)NNc2ncccc2F)CC1	287290375	YYKBAYGYYYCKQT-GFCCVEGCSA-N	309.389	1.967	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NNc1nc2ccccn2n1	281668917	YPGBLWRHYQIIJK-YPMHNXCESA-N	316.365	1.337	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)[C@H]2CCCN2C2CC2)c1	280126072	GDCSNURMRHTRKD-CQSZACIVSA-N	323.418	1.160	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](NC(=O)c1cccs1)C(C)C	286172113	BXBRMCVOHQTZRV-SNVBAGLBSA-N	313.379	1.232	50	20	DDGD	
Cc1nnc(COCC(=O)NNc2c(C)cccc2F)s1	286134495	QUSLQDXSKPPPBK-UHFFFAOYSA-N	310.354	1.954	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)Nc2ccccc2)C1	283804796	WGKXFTMKRHCLTQ-NWDGAFQWSA-N	319.361	1.819	50	20	DDGD	
Cn1cc2c(n1)CCC[C@@H]2NS(=O)(=O)CBr	282624933	MWIJBROGXXMQQU-VIFPVBQESA-N	308.201	1.069	50	20	DDGD	
Cc1nnc(COCC(=O)NNC(=O)CC2CCCC2)s1	287322662	HKRCUYZXHUTGOX-UHFFFAOYSA-N	312.395	1.091	50	20	DDGD	
CCn1cnc2c(c1=O)CCN(C[C@H](C)CBr)C2	286306021	VWWSRJNIYNPIJE-SNVBAGLBSA-N	314.227	1.652	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H]1C[C@H]2C=C[C@H]1C2	291486555	AVFYXFMEDRIBJG-BJDJZHNGSA-N	323.393	1.259	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1csc(Nc2ccccn2)n1	294000155	ALFYMKVZRYMEGU-UHFFFAOYSA-N	317.374	1.843	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1coc(C)n1	801602016	WGQNHFKFUVBOGS-UHFFFAOYSA-N	303.318	1.385	50	20	DDGD	
Cc1cc(C(=O)NNc2ncccc2F)c2c(C)nn(C)c2n1	804215222	HHASCSVGLSTHTR-UHFFFAOYSA-N	314.324	1.876	50	20	DDGD	
CCC[C@H](C)C(=O)NCCNC(=O)NNc1nc(C)cc(C)n1	292745311	JKEHRAUYISGAFN-JTQLQIEISA-N	322.413	1.272	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)c1ccc(OCC)c(OC)c1	294415106	QKUNPHFETXFAOF-ZDUSSCGKSA-N	324.377	1.670	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc(F)cc3nccnc23)O1	294220624	MEDALGWLGFBRED-UFBFGSQYSA-N	318.308	1.097	50	20	DDGD	
O=C(NNC(=O)C1(F)CCCCC1)[C@H]1COc2ccccc2O1	809949786	AVFPMCNUZDBKFZ-CYBMUJFWSA-N	322.336	1.646	50	20	DDGD	
CCCCOC(=O)/C(C#N)=C/c1c(C(=O)OC)nn(C)c1C	291995568	WYLJSODNFSFXSF-DHZHZOJOSA-N	305.334	1.765	50	20	DDGD	
CCCN1CCC[C@H]1CNC(=O)NNC(=O)c1cccc(C)n1	807549705	ILYMKPTVEOIWHR-ZDUSSCGKSA-N	319.409	1.208	50	20	DDGD	
CCCN(C[C@@H](C)CBr)[C@@H]1CC(=O)N(C)C1=O	801587056	WPAAWBDBMOTELR-VHSXEESVSA-N	305.216	1.487	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2cc(Cl)ccc2[N+](=O)[O-])CC1	296158441	QUEVRZZDTVLVTC-UHFFFAOYSA-N	312.713	1.218	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc3c(c2)CCCC3=O)cn1	293876116	ZXVQLAAKUOAJKK-UHFFFAOYSA-N	312.329	1.014	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccnc(-c2ccc(Cl)cc2)n1	806291957	ALUNYTOJJNUNGJ-UHFFFAOYSA-N	316.748	1.968	50	20	DDGD	
Cc1cccc(C)c1CCNC(=O)NNC(=O)[C@H]1CCCCO1	296574160	TXHDZJMNNVAIIW-OAHLLOKOSA-N	319.405	1.745	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)n1	809982306	BBRRIUXYEUVTMO-UHFFFAOYSA-N	319.324	1.438	50	20	DDGD	
Cc1cc(NNC(=O)c2cnc(C3OCCO3)s2)nc(C)n1	806889751	HSPSODNLVXVWTB-UHFFFAOYSA-N	321.362	1.352	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1	804124967	RKBMRLOWWQBZKM-ZDUSSCGKSA-N	302.334	1.256	50	20	DDGD	
CCCn1cc(NC(=O)C(=O)NNc2cccc(Cl)n2)cn1	815727926	NHHKBGAUUUCWRT-UHFFFAOYSA-N	322.756	1.423	50	20	DDGD	
CCC[C@H](C)C(=O)NCCNC(=O)NNC(=O)CC(C)(C)C	814435242	YOAHEEWFNVFPPJ-NSHDSACASA-N	314.430	1.305	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)c1c(C)nc2ccccn12	811630443	JCPWYHUSJRCHBP-GFCCVEGCSA-N	313.361	1.417	50	20	DDGD	
CCn1nncc1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	814722718	MSPXPCCSKWSPJS-UHFFFAOYSA-N	317.393	1.275	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)c1c[nH]c2ccccc12)C1CCC1	813372994	UOFFKZQNIXJXBQ-INIZCTEOSA-N	301.346	1.480	50	20	DDGD	
O=C(NNC(=O)c1c(Cl)cncc1Cl)c1ccncc1	814185170	XQEDWJDPBXLILI-UHFFFAOYSA-N	311.128	1.858	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2ccnc(N(C)C)c2)CC[C@H]1C(=O)O	814844470	KOZXTOCJGJRJNF-GXFFZTMASA-N	318.377	1.754	50	20	DDGD	
CC(CCCCCCC(=O)O)=NNC(=O)C(=O)N1CCCC1	814824935	QUJRTTCXRZJZBE-UHFFFAOYSA-N	311.382	1.526	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1ccc(C)nc1	817972069	SVVJVHMDAURTME-UHFFFAOYSA-N	313.357	1.792	50	20	DDGD	
CC(C)N(C)C[C@H](C)NC(=O)NNC(=O)c1ccccc1F	811910739	FOHBGWUDDPAPCL-NSHDSACASA-N	310.373	1.498	50	20	DDGD	
CCCNC(=O)c1cccc(C(=O)NNc2ncncc2F)c1	817081976	KOLAZDYOABISRZ-UHFFFAOYSA-N	317.324	1.512	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	812446128	OHBBLCFKRIIWAB-VHSXEESVSA-N	309.322	1.274	50	20	DDGD	
CC1(C(=O)NNC(=O)COc2ccccc2F)CCOCC1	726765214	HQMSQBZAPRNMJK-UHFFFAOYSA-N	310.325	1.169	50	20	DDGD	
Cc1cccc(OCCNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	825558477	KTQXNOQARYPOGG-JSGCOSHPSA-N	321.377	1.129	50	20	DDGD	
COCC[C@](C)(O)CNC(=O)/C(C#N)=C/c1ccc(F)cc1	491084255	NMWYSSGEMLVUBF-WQMJKPAKSA-N	306.337	1.636	50	20	DDGD	
CNc1ccc(C(F)(F)F)cc1C(=O)NNC(=O)N(C)C	824627876	ZSPMHOKKZVBSRH-UHFFFAOYSA-N	304.272	1.663	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCCc1ccccc1	825546877	DJKDPPYLTNCWQF-HIFRSBDPSA-N	319.405	1.765	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2C[C@H]2C2CC2)o1	820202066	FGJWXZGXRWMEMP-DTWKUNHWSA-N	317.353	1.467	50	20	DDGD	
Cc1ccc2nc(CSCC(=O)NN(C)[C@@H](C)CO)cn2c1	823976454	DGPGAFIGVDQWJH-LBPRGKRZSA-N	322.434	1.220	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cscn1	826445947	SADYHYWUOJHTKZ-UHFFFAOYSA-N	322.741	1.129	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1CC(C)(C)OC(C)(C)C1	827275027	RNJGHACHBDVPEZ-GHMZBOCLSA-N	313.398	1.042	50	20	DDGD	
C[C@@H]1OC(=O)N[C@H]1C(=O)NNc1ccccc1OC(F)(F)F	497054019	LPIKLYMUUYWVMP-IMTBSYHQSA-N	319.239	1.525	50	20	DDGD	
CC(C)(CN1CCOCC1)C(=O)NNc1ncc(F)cc1F	823480121	YJIBJXVQWCQPRV-UHFFFAOYSA-N	314.336	1.161	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)CC1CCC1	494143206	UXKPMIPJRZJAOY-UHFFFAOYSA-N	313.398	1.629	50	20	DDGD	
CSc1ccc(CCCC(=O)N2CC[C@@H](B(O)O)C2)cc1	585065592	ZPGBRDKBLLRNBB-CYBMUJFWSA-N	307.224	1.807	50	20	DDGD	
CCc1nocc1C(=O)NNC(=O)C(C)(C)c1ccccc1	826921700	UOIWRBSIRXAZBY-UHFFFAOYSA-N	301.346	1.976	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1	497177188	KBNHQXSNGJFKDG-UHFFFAOYSA-N	324.095	1.458	50	20	DDGD	
CN1/C(=C(\C#N)C(=O)Cn2cnnc2C#N)Nc2ccccc21	824389592	NYDXBSINMXCOPQ-XNTDXEJSSA-N	305.301	1.016	50	20	DDGD	
CCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)C(C)C	728511922	HBTUGFQUPFMGMF-UHFFFAOYSA-N	316.361	1.688	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1	822122215	OPIYZAODWAXHOX-UHFFFAOYSA-N	305.290	1.115	50	20	DDGD	
Cc1ccc2c(CC(=O)N3CC[C@@H](B(O)O)C3)coc2c1C	585076686	YRMNUCJYFQHGGY-CYBMUJFWSA-N	301.151	1.667	50	20	DDGD	
C#CCCCC(=O)NN=Cc1ccc(N2CCN(C)CC2)cc1	901324642	WXWQNIWIMMREIV-UHFFFAOYSA-N	312.417	1.692	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCCC23OCCO3)cn1	491050244	PIYVCDZTOGNCBJ-YLHGKKIISA-N	316.361	1.129	50	20	DDGD	
Cc1[nH]c(C#N)cc1C(=O)NNC(=O)c1cc2c(s1)CCC2	822201540	LLQQDAKGHNWARL-UHFFFAOYSA-N	314.370	1.820	50	20	DDGD	
C[C@]1(C(=O)N2CCCC3(C2)OCCO3)C[C@@H]1Br	907077052	DZITYRUDDCMKSK-ONGXEEELSA-N	304.184	1.525	50	20	DDGD	
COC(=O)Cn1ccc(NC(=O)[C@@]2(C)C[C@H]2Br)n1	906532155	CACBZCAAPGENAE-HQJQHLMTSA-N	316.155	1.168	50	20	DDGD	
OB(O)c1ccc(-c2noc([C@H]3CC34CCSCC4)n2)cc1	585054363	LJJZXRWHBHKLQP-GFCCVEGCSA-N	316.191	1.417	50	20	DDGD	
CCOCC(=O)NN=CC1(CNC(=O)OC(C)(C)C)CCC1	495720882	OOIRNYWWTDTNTO-UHFFFAOYSA-N	313.398	1.820	50	20	DDGD	
COC(=O)c1cccc(/C=C(/C#N)C(=O)N=c2cc[nH]cc2)n1	821043831	KTTNEHHASYRIOV-LUAWRHEFSA-N	308.297	1.231	50	20	DDGD	
CC(C)Cc1ncc(C(=O)NNC(=O)c2cccnn2)s1	829344151	ZFSYFYNXQIFUCC-UHFFFAOYSA-N	305.363	1.206	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)CCc1ccncc1	732305669	OPURRFCTSXEVQO-UHFFFAOYSA-N	319.386	1.561	50	20	DDGD	
O=S(=O)(CBr)NCc1cnn(CC2CCC2)c1	907450347	IJNJJKWQBVGNOY-UHFFFAOYSA-N	322.228	1.455	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)/C=C/c1cccnc1	492917555	CROJOFMMZPEUSA-CMDGGOBGSA-N	311.341	1.494	50	20	DDGD	
CC[C@H](C)[C@H](NNC(=O)COc1cccc(C)c1)C(=O)OC	905746954	GCDPFEHHNGKLFD-WFASDCNBSA-N	308.378	1.582	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@H]2CCC[C@@H]3C[C@H]23)n1	838774080	FPKODLQEPLKODL-AGIUHOORSA-N	305.382	1.019	50	20	DDGD	
COC(=O)CC1(COC(=O)/C(C#N)=C/c2cnn(C)c2)CC1	837970444	CYFVQITYYKSPFN-LFYBBSHMSA-N	303.318	1.214	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C	496690513	JRINNBDIAVKORR-VHSXEESVSA-N	316.402	1.276	50	20	DDGD	
CC(C)n1cnnc1CNC(=O)[C@@]1(C)C[C@H]1Br	906576822	GYPJSNQIOHCXOJ-KCJUWKMLSA-N	301.188	1.649	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1nnc(NC2CC2)s1	731904174	HHQYUOPELKFSLY-ZCFIWIBFSA-N	315.424	1.150	50	20	DDGD	
COCCN(C)NC(=O)C[S@@](=O)c1ccc(Cl)cc1	908114503	HFLSKGNHWGDOQP-LJQANCHMSA-N	304.799	1.057	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1CNC(=O)NNC(=O)C(=O)N1CCCC1	838644499	PZDMTKOQDCVTTA-CHWSQXEVSA-N	324.425	1.156	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)OCCCC(=O)O)cc(C#N)n1C	738192163	UYAQSRQMQTYNQK-WUXMJOGZSA-N	301.302	1.520	50	20	DDGD	
COc1ccc(CN2CC[C@@H](B(O)O)C2)c(Br)c1	585075781	IQGPFGKSETWKOM-SNVBAGLBSA-N	313.988	1.506	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1	730576978	YBJILYJLCBPXQI-NSHDSACASA-N	312.366	1.491	50	20	DDGD	
OB(O)c1cccc(CNC[C@H]2CCCN2C2CCCCC2)c1	585039160	OKVNIKQBQABHMX-GOSISDBHSA-N	316.254	1.253	50	20	DDGD	
CCO[C@@H]1COC[C@H]1NC(=O)NNc1cccc([N+](=O)[O-])c1C	838718680	AEBLPNKNNZEHHZ-DGCLKSJQSA-N	324.337	1.333	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)nn1[C@@H](C)C1CC1	833243772	XHWUAMGHOPZFNT-FZMZJTMJSA-N	320.393	1.493	50	20	DDGD	
O=C(NCCc1ccc(C(=O)O)cc1)NNC(=O)C1CCC1	739429294	FMVJBWKHFZINSY-UHFFFAOYSA-N	305.334	1.058	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)[C@H]1CCCCO1	833242716	NGBVEISUHTWRSU-HZSPNIEDSA-N	312.410	1.688	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NC[C@H]1CC[C@H](C)O1	838743869	HIKAOACKCNRQSX-WCQYABFASA-N	321.377	1.136	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2cccc(F)c2)[C@H]2CCCC[C@@H]2N1	830771764	RAQUCMMSDDXLMN-RDBSUJKOSA-N	305.353	1.964	50	20	DDGD	
O=C(CCCNc1ccc([N+](=O)[O-])cc1)NNc1nc[nH]n1	839768443	BIECAVLDMXJPOV-UHFFFAOYSA-N	305.298	1.048	50	20	DDGD	
O=C(CN1CCCC1=O)NNC(=O)[C@H](F)CC1CCCCC1	913732818	JWRFRUAGXUNRRE-GFCCVEGCSA-N	313.373	1.065	50	20	DDGD	
Cc1ncsc1CCC(=O)NNc1ccnc(N(C)C)n1	839687789	GZLUGUUOPAKPDC-UHFFFAOYSA-N	306.395	1.383	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1cc(C)ccc1F	838129842	HRGQBNGYQIQVBT-SNVBAGLBSA-N	310.325	1.166	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@@H](C(=O)O)C1)c1ccccc1F	833149081	DFQXFTIOVGILHN-VHSXEESVSA-N	308.309	1.478	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1ccc(C#N)cc1)c1cnn(C)c1	839607722	ZVPRQAWOYLBGIW-NSHDSACASA-N	311.345	1.247	50	20	DDGD	
CCOC(=O)[C@H](CC(=O)NNc1ccccc1Cl)C(C)=O	830785953	FGOTYNYCRJZSKV-SNVBAGLBSA-N	312.753	1.942	50	20	DDGD	
O=C(NCC[C@@H]1C[C@H]2CC[C@H]1O2)NNc1nc2ccccn2n1	838754451	GXTQHRRPWZLFSF-IJLUTSLNSA-N	316.365	1.313	50	20	DDGD	
N#CC1=CCN(C(=O)c2cc(F)cc(N3CCOCC3)c2)CC1	831488156	LZDXTSAMDPEKAR-UHFFFAOYSA-N	315.348	1.958	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=Cc1ccccc1C(=O)O	747636406	JTBQNLZVCSJZJS-UHFFFAOYSA-N	322.324	1.725	50	20	DDGD	
CNC(=O)c1ccc(C=NNC(=O)c2cccc(N(C)C)c2)cc1	912791768	ZMWYFRFKWSEBIV-UHFFFAOYSA-N	324.384	1.876	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H](O)C2CCCCC2)cc1	846377692	IAGFJNIISGNVQK-INIZCTEOSA-N	320.389	1.786	50	20	DDGD	
CS[C@H]1CC[C@H](NC(=O)NNC(=O)c2ccc(C#N)cc2)C1	743568169	GDWHCPXZUKIEDO-STQMWFEESA-N	318.402	1.786	50	20	DDGD	
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1cn(C)nc1C	741771795	RUDVJVSPUQTDMI-UHFFFAOYSA-N	317.305	1.496	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCOc2ccc(C)c(C)c21	748258679	BUZAKQYDHPOMDH-ZDUSSCGKSA-N	320.389	1.958	50	20	DDGD	
COc1ccc(CCCC(=O)NN(C)C[C@@H](C)O)c(OC)c1	910161191	VINMDEGNQJKDHH-GFCCVEGCSA-N	310.394	1.370	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(OCC(N)=O)cc2)cc1	746881995	FVYHYWBQQOCIJS-UHFFFAOYSA-N	315.329	1.316	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H](C)n2cccn2)cc1	846370158	CXCZURLWIRTNLK-LLVKDONJSA-N	302.334	1.303	50	20	DDGD	
C[C@@H]1C[C@@H](C)N(CC(=O)NNC(=O)c2cccc(Cl)c2)C1	740885061	YLIFIPPNDZHLNL-GHMZBOCLSA-N	309.797	1.831	50	20	DDGD	
N#Cc1ccc(C(=O)NN=Cc2cc3c(cc2O)OCO3)cc1	747049683	RUUZTCNDTZIHPV-UHFFFAOYSA-N	309.281	1.756	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=S)NCC1CC1	849251111	FFKQPEKPDMSJFU-UHFFFAOYSA-N	307.419	1.533	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C	847427465	VJRHFHZTCLTSHY-SECBINFHSA-N	317.386	1.703	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=C1CC(C)(C)Cc2nc(N)sc21	842560506	MGANGRAQTXYILA-RKDXNWHRSA-N	322.434	1.943	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1cnn(-c2ccccc2)c1	746488073	CHDYNBAEIMFOJL-UHFFFAOYSA-N	322.372	1.987	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)C(=O)NC1CC1	748737635	YCWDSWXJDYFEQR-UHFFFAOYSA-N	312.167	1.479	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)COc2ccc(C#N)cc2)o1	746095135	ZLLIWXBSQLCCPX-UHFFFAOYSA-N	314.301	1.003	50	20	DDGD	
CN1/C(=C(/C#N)C(=O)Cn2ccsc2=O)Nc2ccccc21	746642722	DJUUNSPZZXNUAN-UVTDQMKNSA-N	312.354	1.776	50	20	DDGD	
O=C(NC[C@@H]1CNCCO1)NNc1ccccc1C(F)(F)F	842010736	JMPPXKZXGTYMQR-VIFPVBQESA-N	318.299	1.320	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=C1CCCc2cc(C(=O)O)ccc21	842549433	MESXDGWKQILFHQ-ZWNOBZJWSA-N	316.357	1.966	50	20	DDGD	
Cn1nc(C2CC2)nc1CC(=O)NNc1c(F)cccc1F	843830242	BOIWMCGGTBWMKT-UHFFFAOYSA-N	307.304	1.657	50	20	DDGD	
Cc1nc(C2CC2)ccc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843660058	KLYWYWCNQRCQCV-GWCFXTLKSA-N	303.362	1.453	50	20	DDGD	
COc1cccc(C(C)=NNC(=O)Cc2cc(C)[nH]n2)c1O	844573897	SAFXROJSWGFISZ-UHFFFAOYSA-N	302.334	1.515	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCC(=O)c2ccccc21	843656169	OXQLTAIBZZCYTK-WDMOLILDSA-N	316.357	1.319	50	20	DDGD	
Cc1ccc(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1	920379986	DPQOJNOOCBUTJA-CYBMUJFWSA-N	309.391	1.124	50	20	DDGD	
COc1cccc2cc(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)oc12	843646099	OVRHFRCXDXYMGR-MWLCHTKSSA-N	318.329	1.627	50	20	DDGD	
CC[C@@H](C#N)C(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1	845482685	HERPCASRLUEIRP-QMMMGPOBSA-N	317.353	1.280	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C[C@H]2C[C@H]3CC[C@H]2O3)cc1	846377409	SVEPMUHLUDDNFM-BPLDGKMQSA-N	318.373	1.803	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CN2C[C@@H](C)[C@H](C)C2)cc1C	752300300	BOXSUMXLDUAJEP-VXGBXAGGSA-N	323.462	1.968	50	20	DDGD	
Cc1ccc(O)c(C(=O)NNC(=O)COc2ccc(F)cc2)c1	920604442	GZUFPRVWADDWKG-UHFFFAOYSA-N	318.304	1.680	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)c2ccccc2F)CCC1	751541522	ZXJVSAJEFNSDCN-UHFFFAOYSA-N	308.309	1.320	50	20	DDGD	
O=C(NCCOC[C@H]1CCCO1)NNc1ccc(Cl)cn1	852113531	BROZHVHHIAWJKU-LLVKDONJSA-N	314.773	1.557	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)COCc2ccccc2)nn1C	757756243	OMYMDRBWKQGTRN-UHFFFAOYSA-N	317.349	1.098	50	20	DDGD	
CCOc1cccc(C=NNC(=O)CNC(=O)c2ccco2)c1	750937159	SFSIWMZQNSWFNJ-UHFFFAOYSA-N	315.329	1.558	50	20	DDGD	
CN1CCC[C@H](NC(=O)NNc2ccc(Cl)cc2F)C1=O	921313212	ODDVJBZQHSCSSK-NSHDSACASA-N	314.748	1.726	50	20	DDGD	
Cc1c(CNC(=O)NNC(=O)c2ccccc2F)cnn1C	758916349	VDGCLLVBOXEQDC-UHFFFAOYSA-N	305.313	1.012	50	20	DDGD	
COc1ccc(NNC(=O)C2(S(C)(=O)=O)CCCC2)cc1	857116587	JNYNRNYLOOYLSY-UHFFFAOYSA-N	312.391	1.496	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	857732510	ANQYMQPJZXEUDQ-VHSKPIJISA-N	306.204	1.113	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)NCC2(C)CC2)c1	753027207	WHCZKGABUYLVSJ-UHFFFAOYSA-N	305.378	1.813	50	20	DDGD	
CCOC(=O)C(F)(F)[C@H]1CCC(=NNC(=O)CN(C)C)C1	752735595	WROLIAADCOGXCZ-VIFPVBQESA-N	305.325	1.019	50	20	DDGD	
O=C(OC[C@H](CBr)C1CC1)C1(CO)CCOCC1	859719582	MUBJRJOEMIJDBW-NSHDSACASA-N	321.211	1.740	50	20	DDGD	
O=C(NN=CC1CCOCC1)c1nn(-c2ccccc2)cc1O	755575177	DQXAOKYIUPCPSV-UHFFFAOYSA-N	314.345	1.720	50	20	DDGD	
CCS(=O)(=O)c1ccccc1C(=O)NNc1cccnn1	753080873	VXBJNJLGNOGRLB-UHFFFAOYSA-N	306.347	1.027	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C	854928679	KIIVBEMMSZBJIH-SECBINFHSA-N	317.455	1.458	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)N[C@H]1CC(=O)N(C2CC2)C1	921343438	QNNDESQDQJZBKH-VIFPVBQESA-N	310.304	1.354	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C[C@@H](C)COC	755626573	OZRFIWSIMLJRFR-GFCCVEGCSA-N	308.378	1.448	50	20	DDGD	
COc1ccc(CN2CCC(=NNC(=O)NC(C)C)C2=O)cc1	853297041	RCDKMBIGNCJVIY-UHFFFAOYSA-N	318.377	1.491	50	20	DDGD	
Cc1cc(CC(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1	755184844	UNQWSGBTFIZIKE-UHFFFAOYSA-N	309.713	1.966	50	20	DDGD	
Cc1nnc(NC(=O)NNC(=O)CCc2ccccc2O)s1	755426526	HFWSZJYLPBIQPF-UHFFFAOYSA-N	321.362	1.338	50	20	DDGD	
O=C(NCCOCCF)NNc1cc(C(F)(F)F)ccn1	852714905	PJDQFIGRSXYQGO-UHFFFAOYSA-N	310.251	1.713	50	20	DDGD	
COCC(=NNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C)C(C)C	853371803	IMBZMJHWNQCFEV-TZMCWYRMSA-N	322.409	1.662	50	20	DDGD	
O=C(NC[C@H]1COCO1)NNc1ccc(OC(F)F)cc1	923859679	NCLVPGNJXYQRKU-JTQLQIEISA-N	303.265	1.287	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NNc1cc(F)cc(Cl)c1	855619663	SWVLMOWXUWTFMC-UHFFFAOYSA-N	308.762	1.747	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cnn(C2CCCC2)c1	925871197	PNULYPOZBNJQNX-GXFFZTMASA-N	321.381	1.576	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H]2CCCN2CC(F)F)nc1	858747962	URYHAHLMIBAARV-LLVKDONJSA-N	313.352	1.746	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c1	858288764	OZLSPKSRYZPADY-QWRGUYRKSA-N	322.434	1.626	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1	920340191	JUQUODMBNACNBO-LBPRGKRZSA-N	311.426	1.465	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=C2CN(C)C[C@@H]2C)n1	752161363	WCNSZFJDMRMINK-VIFPVBQESA-N	307.423	1.239	50	20	DDGD	
O=C(CSCc1ccccn1)NNC(=O)OCC(F)(F)F	856023908	ABJWFHIMQSIAPU-UHFFFAOYSA-N	323.296	1.635	50	20	DDGD	
Cc1cc(OC(=O)Cc2nnn(C(C)(C)C)n2)ccc1[N+](=O)[O-]	850766554	MYMZUCPZACKXFB-UHFFFAOYSA-N	319.321	1.793	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1cccc([S@](C)=O)c1	756525256	LSAVJSGOXDHMSY-QFIPXVFZSA-N	320.374	1.229	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CCc3ncncc3C2)C[C@H]1Br	857385454	IGHLGCANRZFDPW-GAJTVXKRSA-N	324.222	1.871	50	20	DDGD	
C[S@@](=O)c1cccc(NC(=O)NNC(=O)C2CCCC2)c1	756523758	FARHINNRZOLESI-OAQYLSRUSA-N	309.391	1.767	50	20	DDGD	
CC(C)O[C@@H](C(=O)NNC(=O)c1cc[nH]n1)c1ccccc1	855356160	MYFDFVRVIGAYCR-CYBMUJFWSA-N	302.334	1.337	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2cnn3cccnc23)c1	759315291	UDTPOVNGDSBXMQ-UHFFFAOYSA-N	301.281	1.634	50	20	DDGD	
CCS(=O)(=O)CC(=O)OC[C@H](CBr)C1CC1	859517970	IUAQFQVOTOQXHH-VIFPVBQESA-N	313.213	1.385	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2ccc3c(c2)CCN3C)ccn1	752730255	LHIJAIQKCBMFBH-UHFFFAOYSA-N	323.400	1.904	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNc1ccc([N+](=O)[O-])cc1F	854153261	IYLSSXCWKPEECO-NEPJUHHUSA-N	312.301	1.928	50	20	DDGD	
CCOCCNC(=S)NNC(=O)c1ccc(Cl)cc1O	751002004	DGLRXJZIQDMSMD-UHFFFAOYSA-N	317.798	1.191	50	20	DDGD	
COc1ccc(CCC(C)=NNC(=O)N2CCOCC2)cc1O	754942011	LRAFDJBSPCOKJR-UHFFFAOYSA-N	321.377	1.751	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1sc(C(C)(C)C)nc1C	863145154	KXGAVKVLGUGXET-JTQLQIEISA-N	322.434	1.868	50	20	DDGD	
O=C(NNc1ncc(F)cn1)C1(c2ccccc2)CCOCC1	762093075	HFYAHWFUPOAZDO-UHFFFAOYSA-N	316.336	1.807	50	20	DDGD	
O=C(NN=CC[C@H]1CCOC1)c1nnc(-c2ccccc2)o1	765570801	FAYAOQPCKKRCAS-NSHDSACASA-N	300.318	1.879	50	20	DDGD	
CC(C)N1CC[C@@H](NS(=O)(=O)CC(C)(C)CCl)C1=O	866792016	QKKKHCBLGZBGHT-SNVBAGLBSA-N	310.847	1.180	50	20	DDGD	
CCC(O)(CC)CN(C)[C@H](C)C(=O)NNC(=O)CC(C)C	860065707	NBFDIGFRUZIHSF-GFCCVEGCSA-N	301.431	1.051	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cc(O)nc2c1CCCC2	935548290	RDAQJQJRPULAMY-UHFFFAOYSA-N	319.752	1.866	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2nc3ccc(F)cc3s2)CC1	761830312	GRTFVHAJRSXTBG-UHFFFAOYSA-N	321.381	1.726	50	20	DDGD	
CN1CC[C@@H](C(=O)N(C)NC(=O)OCc2ccccc2)CC1=O	862287135	NYHQYBVBLHUTPB-CYBMUJFWSA-N	319.361	1.155	50	20	DDGD	
CCCc1c(C(=O)NN(C)C(N)=O)cnn1-c1ccccc1C	760487157	UZXOTDSLLSVMJQ-UHFFFAOYSA-N	315.377	1.789	50	20	DDGD	
O=C(CCCOCc1ccccc1)NNC(=O)c1cn[nH]c1	862474518	NGTBMEBFEGOVJA-UHFFFAOYSA-N	302.334	1.168	50	20	DDGD	
CC(C)c1nc(C=NNC(=O)[C@H]2CCC(=O)N2)c2ccccn12	863148127	UGQQVKUYGPEJQN-LLVKDONJSA-N	313.361	1.186	50	20	DDGD	
C[C@H](CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)c1ccco1	861767976	ZQJPHQRJKXQLSD-NEPJUHHUSA-N	314.407	1.266	50	20	DDGD	
COc1cc(C(=O)NN=c2cc[nH]c(C)c2)cc2c1O[C@H](C)C2	862509683	QQXRJQAKLHZEAK-LLVKDONJSA-N	313.357	1.901	50	20	DDGD	
COc1ccc2c(c1)C[C@@H](C(=O)NN[C@H](C)C(F)(F)F)CO2	862306903	FKCUJHFFHKWMDQ-PSASIEDQSA-N	318.295	1.818	50	20	DDGD	
CCc1noc(C)c1C(C)=NNC(=O)[C@H](C)CN1CCOCC1	769796893	NHUXBRXXXMRUNI-LLVKDONJSA-N	322.409	1.354	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@H]1CCN1C(C)(C)C)c1ccccc1	862994021	RZBOZEYRGHLALR-AWEZNQCLSA-N	317.433	1.984	50	20	DDGD	
CC(=O)N1CCC(NS(=O)(=O)CC(C)(C)CCl)CC1	866424023	FBBGXDBJAJUUDD-UHFFFAOYSA-N	310.847	1.182	50	20	DDGD	
COCCOCC(=O)NNC(=O)C1(c2cc(C)cc(C)c2)CC1	869908906	BFJXLYGNGMBQSV-UHFFFAOYSA-N	320.389	1.145	50	20	DDGD	
CCOCc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)CC)cc1	1116620568	FQJVXAZPQIAOOX-NSHDSACASA-N	321.377	1.355	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2cc(C)[nH]n2)cc1	764498199	RBONQXPPANCYTA-UHFFFAOYSA-N	305.363	1.358	50	20	DDGD	
CC(=NNC(=O)C1CCOCC1)c1cnnn1-c1ccccc1	1119361080	FBWPDMVHLRRMDQ-UHFFFAOYSA-N	313.361	1.534	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCOc1cccc(Cl)c1	875112569	PZYBLFUSINGOTJ-UHFFFAOYSA-N	301.730	1.631	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCC1CC=CC1	875798509	LWPWOPBMPCAXHE-NSHDSACASA-N	321.352	1.890	50	20	DDGD	
O=C(NN=Cc1cccnc1Br)[C@@H]1CCCCO1	872378549	BCWWKCIBRAZNCS-JTQLQIEISA-N	312.167	1.863	50	20	DDGD	
Cc1ccc([C@H](C)CNC(=O)NNC(=O)C2CCNCC2)cc1	1117964887	DPYAWFTTWNUFEJ-CYBMUJFWSA-N	318.421	1.429	50	20	DDGD	
COCCOCC(=O)NN=Cc1c(F)cc(C)cc1Cl	872400722	ZMVLBOVWYHTHJW-UHFFFAOYSA-N	302.733	1.901	50	20	DDGD	
COCCOCC(=O)NN=C(C)[C@@H]1C[C@H](CC(=O)O)C1(C)C	872400304	IILMKMSEIHNHCX-NEPJUHHUSA-N	314.382	1.279	50	20	DDGD	
O=C(CCO)NN=Cc1csc(-c2cccc([N+](=O)[O-])c2)n1	1116200485	XOGPDRQAHBOSDY-UHFFFAOYSA-N	320.330	1.551	50	20	DDGD	
N#Cc1cc(Cl)ccc1SCC(=O)NNC(=O)C1CC1	871657307	WFYQBHPPNRVYLO-UHFFFAOYSA-N	309.778	1.861	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1cnn(C[C@@H]2CCCO2)c1	770038694	HTVWDCHFAGKPBJ-NSHDSACASA-N	309.370	1.261	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCOc2c1cccc2C(C)C	779823907	VUXRRSNNKVCMPN-UHFFFAOYSA-N	319.361	1.769	50	20	DDGD	
CN(C)CC[C@@H](NC(=O)NNc1ccc(C#N)cn1)C(C)(C)C	888297271	XHFDINJRBXPWLQ-CYBMUJFWSA-N	318.425	1.946	50	20	DDGD	
COC(=O)CC[C@@H]1CCCN(S(=O)(=O)CCCCl)C1	882514239	BLLNQMKUMQRPFE-NSHDSACASA-N	311.831	1.610	50	20	DDGD	
C#CCCCCCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	779718894	HKOVWFWQPNOKFY-HNNXBMFYSA-N	316.357	1.558	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1cnn(-c2cccnc2)c1	771541808	WGGVGEVCCSLIRS-UHFFFAOYSA-N	323.312	1.048	50	20	DDGD	
O=C(Cn1cncn1)NNc1ccccc1OC(F)(F)F	779208711	GDEKWFXVFPKWOW-UHFFFAOYSA-N	301.228	1.320	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1F)[C@H]1CCCS1(=O)=O	885154095	WTOUNHXWLCZROW-SECBINFHSA-N	308.281	1.124	50	20	DDGD	
N#Cc1ccc(NNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)nc1	889319852	FWEBNOPIVWFYDR-KGLIPLIRSA-N	314.393	1.596	50	20	DDGD	
C[C@H](Cc1ccncc1)NC(=O)NNc1ncncc1Cl	781004265	MLDQNYGTBMFLDT-SECBINFHSA-N	306.757	1.782	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cccnn1)[C@H](C)c1ccccc1	883489532	NIRCAQHHCPCOJP-NWDGAFQWSA-N	313.361	1.613	50	20	DDGD	
O=C(NNc1ncccn1)c1nn(-c2cccc(F)c2)cc1O	785803334	HERDJQYVRZWBJJ-UHFFFAOYSA-N	314.280	1.264	50	20	DDGD	
Cc1ccc(C[C@@H](C)NC(=O)NNC(=O)c2cccnn2)s1	883438692	ZNSSKALAGPVJQL-SECBINFHSA-N	319.390	1.422	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=S)NC2(C)CC2)c1	789171648	BDZRRUHMBGVVJW-UHFFFAOYSA-N	309.391	1.365	50	20	DDGD	
COc1ccc(NNC(=O)Nc2ccc(C(N)=O)c(C)c2)nc1	782035825	ULJUIJIDBQWNRM-UHFFFAOYSA-N	315.333	1.646	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cc3nn[nH]c3cc2F)cc1	781919019	DHTUNTNJHVAUJU-UHFFFAOYSA-N	324.275	1.043	50	20	DDGD	
CCNC(=O)N(C)NC(=O)N[C@H](C1CCCC1)C(F)(F)F	785864214	NTNSCQQLIOIRBI-SECBINFHSA-N	310.320	1.983	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)Cc1n[nH]c2c1CCCC2	899996110	NIICSIVSEIRNCD-UHFFFAOYSA-N	309.439	1.125	50	20	DDGD	
Cn1cc(C=NNC(=O)C(C)(C)O)c(-c2ccc(C#N)cc2)n1	785457799	HGKFEDDYVFOFLK-UHFFFAOYSA-N	311.345	1.180	50	20	DDGD	
CSc1nnc(CNC(=O)NNc2ccc(F)cn2)s1	782653706	MWVRVNOTWOTBKO-UHFFFAOYSA-N	314.371	1.620	50	20	DDGD	
O=C(NN=C1COCc2ccccc21)[C@H]1COc2ccccc2O1	782113529	BTLLZORSUVNFGG-QGZVFWFLSA-N	324.336	1.877	50	20	DDGD	
CC[C@H](O)[C@H](C)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	899949017	OYPREPBSHGJFJK-HZMBPMFUSA-N	303.362	1.265	50	20	DDGD	
COc1c(C(=O)NNC(=O)c2ccccc2)cccc1[N+](=O)[O-]	792775290	JNUPWEMGEQPIHR-UHFFFAOYSA-N	315.285	1.678	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)c1nc(O)nc(O)c1N	794955300	SVGRIOZZSLSMDX-UHFFFAOYSA-N	317.349	1.659	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=C1CCOC[C@H]1C	794471247	MNOWWHFXBPXTLE-LLVKDONJSA-N	300.362	1.873	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cc(C(F)(F)F)n[nH]2)n1	799471134	CXQKFNXUOFISMQ-UHFFFAOYSA-N	314.271	1.392	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)C(=O)OC)c(OCCC)c1	1318965546	HARPAEYOEYRPQY-UHFFFAOYSA-N	322.361	1.887	50	20	DDGD	
Cc1cc(C)n(CCC(=O)NNc2nncc(N)c2Cl)n1	1319401804	VKMUILJVZSBZCZ-UHFFFAOYSA-N	309.761	1.059	50	20	DDGD	
C[C@H](CNS(=O)(=O)CBr)Oc1ccccc1	272760176	CEUKZBSNVZJFDO-SECBINFHSA-N	308.197	1.726	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cccn2C)c(C(F)(F)F)c1	1320217619	GZHLKHLNDNFLDZ-UHFFFAOYSA-N	314.267	1.457	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)COCc2ccncc2)o1	1324036530	HLELNWMBNCQWQH-UHFFFAOYSA-N	315.333	1.725	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc(Cn2cccc2)cc1	1322511206	VFQYLLLDIDBRQZ-UHFFFAOYSA-N	300.362	1.889	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)Nc2ccc(Cl)cn2)n1	1321265692	KDITVLIBBRMABI-UHFFFAOYSA-N	320.740	1.224	50	20	DDGD	
CC(C)CCN(C)C(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1331095366	BGHFXDMAHZSIPP-MFKMUULPSA-N	319.243	1.781	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)[C@@H]1CCCN1C(=O)C1CC1	1333859341	UUXJQEHYMATJMC-ZDUSSCGKSA-N	309.316	1.809	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@@H]2CC[C@@H](OC)C2)cc1	1330764010	YOPCGCBBWMYGIX-DGCLKSJQSA-N	322.365	1.598	50	20	DDGD	
CC(C)CC(=O)N1CCCC[C@H]1C(=O)NNc1ncncc1F	1263832526	HGDQYIXJLNTLHJ-LBPRGKRZSA-N	323.372	1.486	50	20	DDGD	
Cc1nnc(NNC(=O)c2cc(C3CC3)cnc2Cl)nc1O	1344419715	UXGVERRKEWNMDX-UHFFFAOYSA-N	320.740	1.568	50	20	DDGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2ncn(C)n2)c1C	1261203138	PNACGGGFRHOBEL-UHFFFAOYSA-N	324.348	1.041	50	20	DDGD	
C#CCNC(=O)C1CCN(C(=O)C2CCC(Cl)CC2)CC1	1346831310	MITNVKOCTHQITA-UHFFFAOYSA-N	310.825	1.772	50	20	DDGD	
COc1cc(NNC(=O)CO[C@H]2CCOC2)ccc1Cl	1344121148	RTYKDLMMNDAJSW-JTQLQIEISA-N	300.742	1.597	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NN=c2cc[nH]c(C)c2)C12CCC2	1349358254	QFXPRFDHSXEQQD-KGLIPLIRSA-N	304.394	1.786	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2[C@@H](C)C2(F)F)c1F	1349919962	QCRDFPRVABLGOK-MUWHJKNJSA-N	302.252	1.957	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H](c2cnn(C)c2)C(C)C)n1	1340838557	JPNKUMJGEWGCBD-CQSZACIVSA-N	318.381	1.847	50	20	DDGD	
O=C(NC[C@H]1CCOC1)NNC(=O)c1nc2ccccc2s1	1352133449	ZCLTZHABNMCDES-SECBINFHSA-N	320.374	1.277	50	20	DDGD	
Cc1c(NNC(=O)c2n[nH]c3c2CCC3)cccc1C(=O)O	1600055434	SNHTXQPZYWHNMQ-UHFFFAOYSA-N	300.318	1.662	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C(=O)O)c1cccc2ccccc12	1604289855	BYCFPTDAJNPGGB-SECBINFHSA-N	301.302	1.316	50	20	DDGD	
C[C@H]1CCCN(C(=O)C(=O)NNc2ccc(F)c(C(=O)O)c2)C1	1609852609	QOZSPWDLAWAHOF-VIFPVBQESA-N	323.324	1.226	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@]1(C(=O)O)CC=CCC1)C1CC1	1603242527	HRYBNFMBJKFAOS-LKFCYVNXSA-N	311.407	1.091	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1	1602770009	QQVAUERDSAFPBN-STQMWFEESA-N	314.349	1.291	50	20	DDGD	
CN(CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)CC(C)(C)C	1604710740	CEYVDRBPXLGORP-UHFFFAOYSA-N	317.397	1.288	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)O)C[C@@H]23)nc1	1600461323	JWJMALVMOHHNNH-KXNHARMFSA-N	304.350	1.515	50	20	DDGD	
CN(NC(=O)c1cc(-c2nn[nH]n2)cs1)C(=O)OC(C)(C)C	1604826893	MYBFQZQNFYCUJY-UHFFFAOYSA-N	324.366	1.440	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)[C@@H]1CCc2c[nH]nc2C1	1602471334	GXJNSPMNSJSZRB-SECBINFHSA-N	300.318	1.356	50	20	DDGD	
Cc1ccc(C(=O)NNc2cccc(F)n2)cc1-c1nn[nH]n1	1609419210	SUMMVZQKLFPLOZ-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
O=C(O)[C@H]1CCCC[C@@H]1S(=O)(=O)NCC(Cl)Cl	1601813255	XFAPGIOQAOBNTI-BQBZGAKWSA-N	304.195	1.353	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCCC[C@H]2N)cc1	1579727481	MZQBIPOWCLMRCF-UONOGXRCSA-N	305.378	1.039	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@]12C[C@H]1CCCN2	1579309565	JKTOROCOAGQHSI-BMIGLBTASA-N	320.418	1.155	50	20	DDGD	
CCCNNC(=O)CCC(=O)c1ccc(OC)c(OC)c1OC	1577574832	UUENJXGKTBSLNH-UHFFFAOYSA-N	324.377	1.706	50	20	DDGD	
COc1ccccc1NNC(=O)[C@H]1NCCOc2ccccc21	1579309825	PSYBXFSTSZTUMV-INIZCTEOSA-N	313.357	1.862	50	20	DDGD	
N[C@H](C(=O)NNC(=O)Cc1cccc2ccccc12)C1CCC1	1580115141	MZZRWZXJWYTSKV-KRWDZBQOSA-N	311.385	1.657	50	20	DDGD	
C[C@](Cl)(CCl)C(=O)N1CCCC12CN(C(=O)CC#N)C2	1845169886	MQDXJHHHJCFUDY-LBPRGKRZSA-N	318.204	1.340	50	20	DDGD	
CC(C)(C)[C@@H](C(=O)O)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	1588633361	HVVBWORGYNMHQS-SNVBAGLBSA-N	323.305	1.103	50	20	DDGD	
O=C([C@H]1C[C@@H]1C1CC1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](F)Cl	1847487890	MMEYWHZLLWALPP-MOLYVOAJSA-N	314.788	1.769	50	20	DDGD	
Cc1cc(C)c(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)s1	1591946520	MVQHPKXLKKXMEI-UHFFFAOYSA-N	315.362	1.697	50	20	DDGD	
COc1ccc(C=NNC(=O)NCC(=O)O)cc1C(C)(C)C	1599543162	BGEMUANWQKIHDV-UHFFFAOYSA-N	307.350	1.710	50	20	DDGD	
O=Cc1ccc(/C=C/C(=O)NNc2ncccc2C(=O)O)cc1	1595296477	AZSWJNSQSKNTPB-BQYQJAHWSA-N	311.297	1.749	50	20	DDGD	
COc1cc(NC(=O)NNc2ccc(C(=O)O)c(F)c2)[nH]n1	1599440322	SJMUOUHPCDXYPH-UHFFFAOYSA-N	309.257	1.404	50	20	DDGD	
COc1ccc(NNC(=O)C23CCC(C(=O)O)(CC2)CC3)nc1	1599597140	JLYGFMFKRBOLLP-UHFFFAOYSA-N	319.361	1.959	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)[C@@H]1CO[C@H](CCC(=O)O)C1	1594310329	NUFKXNQZPQHIML-CMPLNLGQSA-N	310.325	1.847	50	20	DDGD	
O=C(O)CC[C@@H]1C[C@H](C(=O)NNc2ncccc2Cl)CO1	1595005570	OKCMLHNEXIYYCC-DTWKUNHWSA-N	313.741	1.448	50	20	DDGD	
CC[C@@H]1C[C@@H](NC(=O)NNc2ccc(CC(=O)O)cc2)CCO1	1595413214	JPORFYMPNYOHOZ-UONOGXRCSA-N	321.377	1.897	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H](C(=O)O)C(C)(C)C)c1	1594408477	KSIXLCVOLRSXML-ZDUSSCGKSA-N	322.361	1.268	50	20	DDGD	
COc1ccc(C=NNC(=O)C(C)(C)O)c2cc(C(=O)O)oc12	1776054999	OVPQJGWDYZBWRK-UHFFFAOYSA-N	320.301	1.361	50	20	DDGD	
Cn1nc(C(=O)O)cc1/C=C(/C#N)C(=O)Nc1ccc(F)cc1	1776115517	BDIQYPSWCWMGQI-TWGQIWQCSA-N	314.276	1.803	50	20	DDGD	
O=C(C#CC1CC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl	1796804377	KMYFQIDPIKWLKT-OPDFLTKYSA-N	312.772	1.572	50	20	DDGD	
O=C(COC(=O)Cc1cccs1)NNC(=O)c1ccccc1	5786321	WRKSBLXCHQWRJW-UHFFFAOYSA-N	318.354	1.295	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc(-c2ccccc2)[nH]n1	16057338	HBBKFBDDGOHCLD-UHFFFAOYSA-N	317.418	1.984	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1nc(-c2ccco2)oc1C	157243629	YYAFKNCQEXURLG-UHFFFAOYSA-N	320.374	1.467	50	20	DDGD	
O=C(NNc1cccc(F)c1)c1ccc(N2CCCC2)nn1	154104152	PPROYWHPDPMMSX-UHFFFAOYSA-N	301.325	1.973	50	20	DDGD	
C[C@H](Cc1ccccc1F)C(=O)NNc1ccc(C(N)=O)nn1	154296493	GFPFRXYDAGGZKC-SECBINFHSA-N	317.324	1.037	50	20	DDGD	
Cc1ccc(C(=O)C(=O)NNC(=O)c2cccc(C#N)c2)cc1	103402783	AWTQAMWDIXTDLH-UHFFFAOYSA-N	307.309	1.511	50	20	DDGD	
COc1ccc(C)cc1NC(=O)NNC(=O)c1ccccn1	8370241	GXSJAHNGIMCQLY-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
CN(C)N(C(=O)c1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1	58584391	WMCJFFRWTQRKBK-GFCCVEGCSA-N	318.345	1.071	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCc2ccccc2F)c1	103502149	ULAVTVGGHDHGGQ-UHFFFAOYSA-N	312.304	1.842	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC[C@H]1CCCN1C)c1ccccc1	111841681	JXCYMIOSISUKQQ-CABCVRRESA-N	318.421	1.605	50	20	DDGD	
COCCN(Cc1ccccc1)C(=O)NNC(=O)C(C)(C)C	109150064	LITGJEKYYNTUMY-UHFFFAOYSA-N	307.394	1.922	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CCc2nccs2)c1	55091760	AGMSOFNUAVOCHY-UHFFFAOYSA-N	319.386	1.611	50	20	DDGD	
O=C(/C=C/C1CCCCC1)NNC(=O)CNC(=O)c1ccco1	117642246	IOMWBILRYHYVLV-CMDGGOBGSA-N	319.361	1.293	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc(SC)cc1	64476201	NLHWTKKZSZSEBL-SECBINFHSA-N	302.421	1.764	50	20	DDGD	
CC(=O)N[C@@H](C)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	112693271	MHUWEDDSLWMLAY-ZETCQYMHSA-N	323.740	1.358	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@H]2C[C@@H]2C)ccc1OC(C)C	24301138	RTINKOVOZZDDFE-JQWIXIFHSA-N	306.362	1.899	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)Cc1cccc(OCC#N)c1	119547856	PNYFHTFQQIZJBF-UHFFFAOYSA-N	320.418	1.425	50	20	DDGD	
Cc1cc(NNC(=O)C[C@H](C)NC(=O)c2ccccc2)ncn1	172276690	UVPGJYSESHCLFR-LBPRGKRZSA-N	313.361	1.437	50	20	DDGD	
Cc1cc(NNC(=O)c2cccnc2OCC(C)C)ncn1	172275924	NYNWYMSETDOOGT-UHFFFAOYSA-N	301.350	1.972	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cnn(Cc2ccccc2)c1	27121668	AAVXIDMNSHBHTK-CXUHLZMHSA-N	310.357	1.601	50	20	DDGD	
CCn1cc(NC(=O)NNC(=O)Cc2ccccc2F)cn1	66906477	IDVBBRKMLFOENF-UHFFFAOYSA-N	305.313	1.438	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1ccccc1-n1cccn1	127323045	CZFUEAPYSMBTBT-UHFFFAOYSA-N	315.377	1.749	50	20	DDGD	
COc1ccsc1S(=O)(=O)NNC(=O)c1ccc(C)o1	121921972	BKUQVXWDYWFESZ-UHFFFAOYSA-N	316.360	1.281	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(C)(C)c1ccc2c(c1)OCCO2	122383019	WDLVPSPCFOBOCK-UHFFFAOYSA-N	320.389	1.929	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NC1CCCC1	31026362	NUGCVHODDCWMKM-JTQLQIEISA-N	309.341	1.866	50	20	DDGD	
CCc1ccc(C(=O)NNc2nc(C)cc(OC)n2)c(O)c1	188217793	RKTBJEBKTRUDPP-UHFFFAOYSA-N	302.334	1.819	50	20	DDGD	
COc1cccc(NNC(=O)CCNC(=O)c2cccs2)n1	180700261	NZAKKBVNDPQLEA-UHFFFAOYSA-N	320.374	1.415	50	20	DDGD	
CC[C@@H]1C[C@@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)CCO1	182376743	BXHKVNMDQJQLIZ-DZGCQCFKSA-N	319.405	1.719	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@H]2CSCCS2)o1	120137364	QNTGPYBPRWDKAM-VIFPVBQESA-N	300.405	1.588	50	20	DDGD	
COc1cccc(CO[C@H](C)C(=O)NNC(=O)CC(C)C)c1	33226493	YDOPQPJQKRCXHI-GFCCVEGCSA-N	308.378	1.794	50	20	DDGD	
CCOCc1ccccc1CNC(=O)NNC(=O)c1ccc[nH]1	126017197	SCJCXCFUXJIEDR-UHFFFAOYSA-N	316.361	1.695	50	20	DDGD	
COc1ccccc1OCC(=O)NNc1nnc(C2CC2)s1	184460972	RDDJFYOKMRAECT-UHFFFAOYSA-N	320.374	1.946	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1cccn1C	70718569	WPAMAEKAOAWKLA-UHFFFAOYSA-N	301.346	1.428	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCCN1CCOC(C)(C)C1	185313468	IODRZJACNTUTAQ-UHFFFAOYSA-N	324.400	1.871	50	20	DDGD	
O=S(=O)(CCCCCl)NC[C@H](O)Cc1ccccc1	184432006	RCQVUQGJRCGHDB-CYBMUJFWSA-N	305.827	1.528	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Cc2c(F)cccc2F)c1	132674508	UNVCJFNGKXCEOC-UHFFFAOYSA-N	315.279	1.840	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(CCN2CCSCC2)cc1	181968387	JGOIKINOMOMNMW-UHFFFAOYSA-N	322.434	1.451	50	20	DDGD	
CCc1[nH]c(C(=O)NNC(=O)CC(C)C)c(C)c1C(=O)OC	45593073	CWQKEOBXEMGHLL-UHFFFAOYSA-N	309.366	1.479	50	20	DDGD	
CC(C)[C@@H](CO)NC(=O)NNC(=O)CCCc1ccccc1	180961797	YUIKJAZXNSUBAI-CQSZACIVSA-N	307.394	1.357	50	20	DDGD	
CCCCCCNC(=O)NNC(=O)COc1ccc(C#N)cc1	42920353	HVSKUFDFNBZJBV-UHFFFAOYSA-N	318.377	1.848	50	20	DDGD	
CCCC[C@H](NNC(=O)COc1ccc(F)cc1)C(=O)OC	135137542	CLEKISODUGEVQW-ZDUSSCGKSA-N	312.341	1.557	50	20	DDGD	
CCCCN(CC)CC(=O)NNC(=O)Cc1ccccc1C	132659793	RMBLUTPAAGGZMV-UHFFFAOYSA-N	305.422	1.807	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cc(-c2ccccc2)[nH]n1	191902133	NPMGTAFXZONPRA-UHFFFAOYSA-N	319.328	1.876	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cc(N3CCOCC3)ccn2)cc1	132662595	CPMWFKRAXHJVJX-UHFFFAOYSA-N	323.356	1.547	50	20	DDGD	
ICCN1CCN(C[C@@H]2CCOC2)CC1	190927529	BFUFGCKVMYSVHL-NSHDSACASA-N	324.206	1.076	50	20	DDGD	
COCc1ccc(NC(=O)NNC(=O)c2cccn2C)cc1	192598897	VOCAKZCXDPLUGY-UHFFFAOYSA-N	302.334	1.638	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Nc2ncc(C)s2)c1	146652410	WYRRHXYDVKNGQE-UHFFFAOYSA-N	320.374	1.992	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1	269469242	KKSRBTIOYDGGTL-VAWYXSNFSA-N	323.393	1.946	50	20	DDGD	
CC[C@@H](C)[C@@H](C)NC(=O)NNC(=O)COc1ccccc1O	264622022	RUALWPNMWWUXEU-GHMZBOCLSA-N	309.366	1.536	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccc(OCCCOC)c1	266576161	YWCCAWQKTWBEFT-UHFFFAOYSA-N	323.418	1.397	50	20	DDGD	
O=C(CCCNC(=O)c1ccsc1)NNC(=O)C1CCC1	264657318	CQWCBZFCUGVBTJ-UHFFFAOYSA-N	309.391	1.206	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccc(F)c(Br)c1	266204082	BYYANBRFGSFPRY-UHFFFAOYSA-N	301.115	1.759	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnn(-c2ccccc2C)c1	272694199	RFZPVOGWNNNPTP-UHFFFAOYSA-N	301.350	1.487	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@H](O)C2CCCCC2)n1	279733566	WHKJZFQSXOKVTL-AWEZNQCLSA-N	320.393	1.275	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C(C)(C)O)cnn1C1CCCCC1	278039046	VMNJKVIQNCMRQN-UHFFFAOYSA-N	308.382	1.229	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C	276671055	DDACFARFOXVLJQ-NSHDSACASA-N	322.434	1.781	50	20	DDGD	
CCOc1cc(NC(=O)C(=O)NNC(=O)CC(C)C)ccc1C	274037136	DYAUFXLTUOZAPQ-UHFFFAOYSA-N	321.377	1.526	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCC[C@H]2CCCCO2)n1	273689372	HPSYZMLCAZPKCB-GFCCVEGCSA-N	323.397	1.769	50	20	DDGD	
CC(C)(C)S(=O)(=O)CC(=O)NNc1ccc(Cl)nc1	271065118	CERDGVDKQWXSBD-UHFFFAOYSA-N	305.787	1.391	50	20	DDGD	
NC(=O)CCCC(=O)NNC(=O)c1ccc(Cl)cc1Cl	279737314	OHGPHLMUNWVKPE-UHFFFAOYSA-N	318.160	1.410	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H](CC)C(=O)OC)c1ccccc1	277334267	VRTZUHBWPNRBDU-QWHCGFSZSA-N	306.362	1.527	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNc1nc(O)c2ccccc2n1	270782483	SSEPQZQTYTXATD-UHFFFAOYSA-N	318.333	1.368	50	20	DDGD	
CO[C@H](C(=O)NNc1cccc([N+](=O)[O-])c1C)c1cnn(C)c1	282933991	YMAFXTMEZPLICL-ZDUSSCGKSA-N	319.321	1.468	50	20	DDGD	
CC(C)(C(=O)NNC(=O)Cn1cnc2ccccc21)C1CC1	289163240	WMOZOTUAJZFOGS-UHFFFAOYSA-N	300.362	1.620	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NCCF	280859862	CKUHMTKCOYTWBJ-MRVPVSSYSA-N	303.721	1.407	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@H]2CCO[C@H](C)C2)n1	280282123	MVEXKLDSNMZRNB-NEPJUHHUSA-N	306.366	1.149	50	20	DDGD	
CC(C)NC(=O)/C(C#N)=C\c1ccc(O[C@@H](C)C(=O)O)cc1	285625199	VWAIRQSJKNQPTL-LFTLCWSBSA-N	302.330	1.970	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)C(C)(C)c1ccccc1)C(C)C	281557715	ZKHPLHRZKMCTOK-CQSZACIVSA-N	301.390	1.952	50	20	DDGD	
O=C(CCc1c[nH]c2ccccc12)NNC(=O)[C@@H]1CCCCO1	295658742	VTQCMMOTXHINNJ-HNNXBMFYSA-N	315.373	1.817	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1c[nH]c(C(F)(F)F)c1	807957752	WWMMTUOLSCAGKQ-UHFFFAOYSA-N	302.256	1.106	50	20	DDGD	
CNc1ccc(C(=O)NNc2ccccc2C(=O)OC)cn1	803032878	ZWRWLAGKPNNXFV-UHFFFAOYSA-N	300.318	1.667	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NNC(=O)[C@@H]1CCCO1	297694471	HDMKKLHDRNCYCJ-LBPRGKRZSA-N	322.321	1.543	50	20	DDGD	
CO[C@H]1COC[C@@H]1NC(=O)NNc1ccc(Cl)c(F)c1	291450371	LCPULZMBMKRTFV-QWRGUYRKSA-N	303.721	1.519	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNc1nc(O)c2ccccc2n1	807049318	UVSCXCBOGNHMPU-UHFFFAOYSA-N	312.333	1.361	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CSC(F)F)cc1	299233432	FQKTVCXPRCINLJ-UHFFFAOYSA-N	318.345	1.731	50	20	DDGD	
Cc1nsc(NC2CC2)c1C(=O)NNC(=O)c1cccn1C	292867891	XNGGAMVLRHLCSD-UHFFFAOYSA-N	319.390	1.439	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@H]1C[C@H](c2cccc(F)c2)C1	292610252	LIFAJYHXDOLZPM-UBHSHLNASA-N	321.352	1.581	50	20	DDGD	
O=C(NNC(=O)c1cccc(-n2cccn2)n1)Nc1ccccc1	801987542	MOCHSYXEBNBSCC-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CCCC(F)(F)C1	800333609	ZRKYEJPYCDRTBV-VIFPVBQESA-N	319.352	1.264	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N2CC[C@H](O)C23CCCC3)s1	292962189	GORQUVZXQMEOIG-LBPRGKRZSA-N	323.418	1.790	50	20	DDGD	
CC(C)(CCC(=O)NNC(=O)Cc1ccc(F)cc1)[N+](=O)[O-]	294518523	YKSGHRWTPDDLTE-UHFFFAOYSA-N	311.313	1.351	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@H]1CC(c2cccc(F)c2)=NO1	299211138	IXVPMISGADWUPE-GFCCVEGCSA-N	323.324	1.875	50	20	DDGD	
COc1ccc(OCCCC(=O)NNC(=O)CC2CC2)cc1	294206009	PTQREHPIXWWSGL-UHFFFAOYSA-N	306.362	1.802	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N=c1ccnc2n(C)[nH]cc1-2	806489948	JIYKYEFMRGYJPP-UHFFFAOYSA-N	324.344	1.117	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCCC1(O)CCOCC1	804330713	BMCGAWNIOKVTQK-JTQLQIEISA-N	322.243	1.844	50	20	DDGD	
O=C(NNc1c(F)cccc1Cl)[C@@H]1OC[C@H]2COCC[C@@H]21	291330898	QIACJYHGMVWAAG-VYUIOLGVSA-N	314.744	1.974	50	20	DDGD	
Cn1cncc1CC(=O)NNc1ccc(Br)cc1	806392835	XSRYBVLBPQWRCQ-UHFFFAOYSA-N	309.167	1.868	50	20	DDGD	
CO[C@@H](CC(C)C)CS(=O)(=O)NCCSSC	817140070	MSQHEIFEQDDIFN-JTQLQIEISA-N	301.499	1.978	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)c1ccnnc1)O[C@@H](C)C2	817343652	VYOTXBDNKQJTNB-JTQLQIEISA-N	312.329	1.573	50	20	DDGD	
CCCN1C(=O)C(=NNC(=O)c2cnccn2)c2ccccc21	818285617	KCNWKVNIJFVGJH-UHFFFAOYSA-N	309.329	1.367	50	20	DDGD	
Cn1ncc(C=NNC(=O)Nc2ccc3c(c2)OCO3)c1Cl	814994120	PPPMJLBCFFYIHI-UHFFFAOYSA-N	321.724	1.958	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2cc(CO)ccc2O)cc1	814742773	FUPCJUSPDSSUBD-UHFFFAOYSA-N	314.341	1.722	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc(Cl)nn2)c(C2CCC2)n1	819881559	ADTMBNJGSKSNIA-UHFFFAOYSA-N	306.757	1.888	50	20	DDGD	
COc1cccc(C=NNC(=O)Cc2cc[nH]n2)c1OC(F)F	814956761	CQWRXQIQVMCJDC-UHFFFAOYSA-N	324.287	1.713	50	20	DDGD	
CC(C)c1nc(C=NNC(=O)Cc2cc[nH]n2)c2ccccn12	814953604	IZLPAQBKSKNQCY-UHFFFAOYSA-N	310.361	1.874	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)c1ccc(C)o1)C(=O)O	818627332	RAOGSEQQIMNZEA-UHFFFAOYSA-N	311.338	1.423	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)Cc1cc(Br)ccc1F	823718838	PWAMUDDHMRNGTA-MRVPVSSYSA-N	319.174	1.475	50	20	DDGD	
CCCNC(=O)NNC(=O)Cc1ccccc1Br	729345587	PRTAOWVWMJABFT-UHFFFAOYSA-N	314.183	1.732	50	20	DDGD	
CCN(CCO)NC(=O)CCOc1ccc2ccccc2c1	823884683	FMSCZENHIVTQJK-UHFFFAOYSA-N	302.374	1.954	50	20	DDGD	
CCC[C@](C)(NC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)OC	491052705	WNCOMTKAUWNMMJ-BLMSOEDDSA-N	304.350	1.175	50	20	DDGD	
CC[C@@H]1c2ccsc2CCN1CC(=O)NNC(=O)C(C)C	827415974	QDUTYYSTGIFBID-GFCCVEGCSA-N	309.435	1.861	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc(F)c(N2CCOC2=O)c1	496667986	OLAVIRKTNBEFKN-UHFFFAOYSA-N	324.312	1.591	50	20	DDGD	
O=C(NNc1ncccc1F)c1ccc(N2CCOC2=O)cc1	496431147	FGYWHLZRDVAREW-UHFFFAOYSA-N	316.292	1.934	50	20	DDGD	
COc1ccc(C)cc1CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	825595207	OXTHDGXLQDTRAX-WCQYABFASA-N	321.377	1.259	50	20	DDGD	
CCCN(NC(=O)c1cc(C(N)=O)c[nH]1)C(=O)OC(C)(C)C	495694426	BNZLBHNIHZQUNE-UHFFFAOYSA-N	310.354	1.406	50	20	DDGD	
Cn1ccc(/C=C(\C#N)C(=O)NCc2ccc(F)cc2F)n1	490689927	BYOMBSYFMAKKCA-IZZDOVSWSA-N	302.284	1.922	50	20	DDGD	
CCOC(=O)NNC(=O)COc1cccc(NC(=O)C2CC2)c1	490620357	WFFOEWYXMOREMS-UHFFFAOYSA-N	321.333	1.191	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNc1nccnc1C(C)C	495863299	COSUXEWRPJWWIW-JQWIXIFHSA-N	323.397	1.814	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	822728457	SUMVTXAEGQBVSG-KBVBSXBZSA-N	308.309	1.623	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(OCC(=O)OC)cc1C	490754592	QSTCNYYGHMHSID-FMIVXFBMSA-N	318.329	1.929	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(Cl)c2c(c1)OCCCO2	823988415	RTIWRRNYJCCSRS-SECBINFHSA-N	314.769	1.459	50	20	DDGD	
Cc1cc(NNC(=O)c2nnc(O)c3ccccc23)nc(C)n1	736711951	TWXMKFLJLUALEB-UHFFFAOYSA-N	310.317	1.499	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1nc2ccc(OC)cc2[nH]1	731904390	KBAVHUWWOZULFJ-QMMMGPOBSA-N	322.390	1.610	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NN=Cc1cccnc1	491377789	DRGUFIAIQQNLRQ-UHFFFAOYSA-N	307.354	1.239	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](c2cccc(F)c2)C1	732201273	SXRYAZPAHLSJTD-WCQYABFASA-N	307.369	1.561	50	20	DDGD	
CSCC[C@@H](C)N(C)[C@@H](C)C(=O)NNC(=O)CC(C)C	736318844	OYCHNIRESBAMSU-NEPJUHHUSA-N	303.472	1.642	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNc1cccc(Br)n1	837212780	NLHMAMPSKJEVHB-BDAKNGLRSA-N	312.167	1.878	50	20	DDGD	
CCCN(Cc1ccc(C#N)cc1)[C@@H](C)C(=O)NNC(=O)CC	731848696	LNXUGPJUYHDVAA-ZDUSSCGKSA-N	316.405	1.716	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2CCCOc3cc(F)ccc32)c1	585033162	ZFFITRZPYMPRSO-MRXNPFEDSA-N	315.153	1.509	50	20	DDGD	
CCOCC(=O)NNC(=S)N[C@@H](CC)c1cccs1	734378780	COAAFRHRDVNPSC-VIFPVBQESA-N	301.437	1.731	50	20	DDGD	
COc1ccc(-c2ccc(C(=O)NCB(O)O)c(F)c2)cc1	585060106	NDQSWQCBRWXTKD-UHFFFAOYSA-N	303.098	1.243	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)Cc2cc(C)on2)c1	733911130	SKCCHOAOSMSGMJ-UHFFFAOYSA-N	319.317	1.004	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCc2sccc21)[C@H]1CCCCO1	833245843	AJFGDJYDRAFDFN-VXGBXAGGSA-N	308.403	1.885	50	20	DDGD	
CCCN1C[C@H](C(=O)NNc2ccc(C#N)c(Cl)c2)CC1=O	839726252	NCISDZFOHBQGTD-LLVKDONJSA-N	320.780	1.913	50	20	DDGD	
O=C(NCB(O)O)[C@@]1(Cc2ccc(Cl)cc2)C[C@H]2CC[C@H]1C2	585059412	MSSFXKKCSIXDFL-XEZPLFJOSA-N	321.613	1.817	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNC(=O)c1cccc(Cl)c1	839457958	YAZYLBDXQVLNMJ-NSHDSACASA-N	312.753	1.690	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NNc1cccc(F)c1[N+](=O)[O-]	834735883	AIFCMWHCUOVQFT-RKDXNWHRSA-N	319.296	1.714	50	20	DDGD	
C[C@@]1(C(=O)NN2CCc3ccccc3C2=O)C[C@H]1Br	907257367	NVLMZRXEHVTASC-BXUZGUMPSA-N	323.190	1.890	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)C(=O)NNC(=O)Cc1ccccc1F	837404101	FGXZLMCASRNZOK-LLVKDONJSA-N	318.352	1.128	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCCO1)c1ccc(CC(=O)O)cc1	834989766	UYMUYMYOBDNURG-AWEZNQCLSA-N	304.346	1.723	50	20	DDGD	
Cc1ccccc1O[C@@H](C)CNC(=O)NNc1ccncn1	836329233	SFWYYDXSORLHDO-LBPRGKRZSA-N	301.350	1.879	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@H]2C[C@@H]2OCC)cc1	916163113	QEWOMLYXOGCMAQ-STQMWFEESA-N	323.418	1.828	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1	910167490	GPGNRTCEJZGVOM-HIFRSBDPSA-N	323.412	1.382	50	20	DDGD	
CC(C)(C)C1CCC(=CC(=O)NNC(=O)c2ncon2)CC1	832826250	UQXAECIBMXLEOF-UHFFFAOYSA-N	306.366	1.993	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)Cc2cnn(C)c2)c(O)c1	839550303	IKTCMVFYIYNUSU-LLVKDONJSA-N	316.361	1.074	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@H]1CCC[C@@H](C(=O)O)C1	833147213	YDJLKFPXDLQJCH-VHSXEESVSA-N	309.322	1.001	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@H](C)CCCc1cccnc1	839145803	TWVWWUQVDPUNAV-CHWSQXEVSA-N	306.410	1.328	50	20	DDGD	
CCC[C@H](CC(C)C)C(=O)O[C@H](C)C(=O)NNC(=O)CC	838250616	ACBIFXSYNWBKFO-VXGBXAGGSA-N	300.399	1.938	50	20	DDGD	
C[C@H](COc1ccccc1)NC(=O)NNC(=O)c1ccc[nH]1	918086981	CLJLJVQHSXMVKA-LLVKDONJSA-N	302.334	1.426	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C[C@@H]1CSc2ccccc2O1	832912688	GMWHNLVQVKQKEA-LLVKDONJSA-N	306.387	1.877	50	20	DDGD	
O=C(CSc1ccc2c(c1)OCCCO2)NNC(=O)C1CC1	742444771	FOLCBRXXVRUPHJ-UHFFFAOYSA-N	322.386	1.497	50	20	DDGD	
CC(C)NC(=O)NNC(=O)C1CC(OCc2ccccc2)C1	746840650	XVDXZYLHWPEFLJ-UHFFFAOYSA-N	305.378	1.721	50	20	DDGD	
CN(C)Cc1cccc(C(=O)NNC(=O)c2ccccc2F)c1	741278023	QEDYXPVWXMAAJP-UHFFFAOYSA-N	315.348	1.962	50	20	DDGD	
CN(C)c1cccnc1C(=O)NNCC(F)(F)C(F)(F)F	913163778	WFWMPUDXAYCMFV-UHFFFAOYSA-N	312.242	1.580	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C2(C(=O)C3CC3)CC2)cc1	846377275	RSLWEUZBYMIQKX-UHFFFAOYSA-N	316.357	1.605	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)NC[C@@H]1CNC(=O)C1	840394765	FXQMFHJMEIPHLH-LBPRGKRZSA-N	304.394	1.881	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccccc1N1CCN(C)CC1	840926853	ZIAMNIZCLYCRQD-UHFFFAOYSA-N	321.381	1.173	50	20	DDGD	
CC(=O)Nc1ccc(O)c(C(=O)NNC(=O)C2CCCC2)c1	919813102	VRYXKOQPAVJYSK-UHFFFAOYSA-N	305.334	1.302	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCCOCc1ccccc1	916211288	BOFVEBXXEHXGMT-UHFFFAOYSA-N	307.394	1.970	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2c[nH]nc2C)o1	746493996	KCGOVZAHVAKOHE-UHFFFAOYSA-N	303.366	1.917	50	20	DDGD	
C[C@H]1CC(=NNC(=O)C(N)=O)c2cccc(Br)c21	743420420	CAIFNMYPFSNIGW-LURJTMIESA-N	310.151	1.262	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1cc2c(cc1O)OCO2	749940882	VLMKQNJTQUXABA-UHFFFAOYSA-N	306.318	1.462	50	20	DDGD	
CCN1C[C@@H](CNC(=O)NNc2c(C)cccc2F)CC1=O	845488923	ATTSNBPUWMYGQP-LLVKDONJSA-N	308.357	1.629	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1nc(F)ccc1Br	847288830	BAIOMZHGZXQUQC-UHFFFAOYSA-N	304.119	1.400	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)CC(F)(F)F)c1	918363920	FXQREVDLRCMNNA-UHFFFAOYSA-N	304.268	1.864	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1occc1Br	748253693	RHXOKSNWAXMTSO-MRVPVSSYSA-N	319.155	1.544	50	20	DDGD	
Cn1cccc1CNC(=O)NNC(=O)c1cc2c(s1)CCC2	743710848	WNDAGDUBDYEUKY-UHFFFAOYSA-N	318.402	1.720	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)COCc2ccccc2)[C@H]1OC	841626828	ROIUGJZYSRPVJT-GDBMZVCRSA-N	306.362	1.499	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1ccc(OCC(=O)O)cc1	842558074	RBWYBPYSIGSAHE-GWCFXTLKSA-N	306.318	1.025	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CSc2nncs2)n1	748333398	FBFWOBVYTHMPEJ-UHFFFAOYSA-N	316.799	1.525	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)NCCNC2CC2)cc1	841930857	YFTDVXNSIIYBMY-UHFFFAOYSA-N	318.421	1.680	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCc1ccccc1OC(F)(F)F	910165503	LRCXPFAGSXFZIK-SNVBAGLBSA-N	320.311	1.862	50	20	DDGD	
CC(C)CCOc1ccc(C(=O)NNC(=O)NC[C@H](C)N)cc1	841985619	PUFDNGAEWCKYMP-LBPRGKRZSA-N	322.409	1.403	50	20	DDGD	
CN1CC[C@H](CNC(=O)[C@@]2(C)C[C@@H]2Br)CC1=O	911275631	PTTVZMDRMMYODU-AUTRQRHGSA-N	303.200	1.145	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC[C@](O)(CC#N)C1	844015120	DENQZRAEWBYXNP-JOYOIKCWSA-N	303.200	1.673	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(F)c(F)cc1Br	910159923	CPECPFSGBUFKMF-ZCFIWIBFSA-N	323.137	1.685	50	20	DDGD	
CC(C)NCCCNC(=O)NNC(=O)CCOc1ccccc1	841934505	YGXTWIHSRGSGBM-UHFFFAOYSA-N	322.409	1.174	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H](C)C(C)(C)C)c1	745048284	SBSTZFOERHSFDP-LBPRGKRZSA-N	320.389	1.981	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)Cc2ccc(F)cc2)CCCNC1	841970879	QGVYGNLRBDKVLV-INIZCTEOSA-N	322.384	1.088	50	20	DDGD	
CC(C)OCc1ccc(C(=O)NNC(=O)c2ncccn2)cc1	841355038	VYAQSABJKWGQDV-UHFFFAOYSA-N	314.345	1.476	50	20	DDGD	
O=C(NNC(=O)C1C2CC3CC(C2)CC1C3)c1ncccn1	841354544	ODUIBFZFJVMEDJ-UHFFFAOYSA-N	300.362	1.310	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H]2CCC(=O)C2)c(C)c1	844129387	ZWBBMXPCMOGDEK-LBPRGKRZSA-N	303.362	1.232	50	20	DDGD	
Cc1ccc(C(F)(F)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	843660600	KSHOFNBWXMZSAF-ZYHUDNBSSA-N	312.316	1.659	50	20	DDGD	
O=C(NNC(=O)c1nc[nH]c2nccc1-2)NC1CCCCC1	854191559	MRKLFLWREDGILU-UHFFFAOYSA-N	302.338	1.186	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)C(C)(C)C(F)F	855832692	ICBQUNGJDDQYCE-UHFFFAOYSA-N	321.368	1.368	50	20	DDGD	
CO[C@@]1(C)C[C@H]1NC(=O)NNC(=O)Nc1cc(F)cc(F)c1	852686671	YZLOZKHUUHWWGJ-MFKMUULPSA-N	314.292	1.478	50	20	DDGD	
CCC[C@@H]1C[C@H](C(=O)NNC(=O)c2cccc(F)n2)CCO1	856423568	WPKOSGSZIKYZPN-GHMZBOCLSA-N	309.341	1.577	50	20	DDGD	
CC(C)N1CCC[C@@H]1C(=O)NNC(=O)Cc1ccc(Cl)cc1	929332093	CIYCUNGDJVPLBL-CQSZACIVSA-N	323.824	1.903	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)c(O)c1	855102761	NCGWPJBHEYKYEB-QMMMGPOBSA-N	309.391	1.308	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCCN1CCSCC1	853723531	WFNJTYPKEJLHEB-UHFFFAOYSA-N	312.414	1.809	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1oc2ccccc2c1COC	854927974	LCXPHNIPTJOYNF-UHFFFAOYSA-N	307.375	1.660	50	20	DDGD	
O=C(NCCO[C@@H]1CCOC1)NNc1cc(F)c(F)c(F)c1	927517729	KTBBMRDLCLDZQK-SECBINFHSA-N	319.283	1.536	50	20	DDGD	
C[C@H](C[S@@](C)=O)NC(=O)NNc1ccc(F)cc1Cl	921922785	AJCAQOKGCPSNKL-QOLSBQFWSA-N	307.778	1.872	50	20	DDGD	
CC(C)(C)O[C@H](C(=O)NNC(=O)c1cc[nH]n1)c1ccccc1	855357690	PEFSMKHWQTURLA-ZDUSSCGKSA-N	316.361	1.727	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=S)Nc1ccc(N(C)C)cc1	755666348	BHEKXRNFYIDMKT-LLVKDONJSA-N	324.450	1.743	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1ccc(C(F)F)nc1	853331246	MDNFMIGOXIVENO-UHFFFAOYSA-N	300.265	1.215	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NC[C@@H]1CCS(=O)(=O)C1	853295043	NEVQBTSRGYAQDK-JTQLQIEISA-N	315.370	1.195	50	20	DDGD	
CC(C)N1CC[C@@H](N(C)S(=O)(=O)CC(C)(C)CCl)C1	867372839	KJNGVGNSDDUGJL-GFCCVEGCSA-N	310.891	1.996	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)ncn1	752899155	UYPPXFMGZLEYEH-UHFFFAOYSA-N	314.389	1.762	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)CC(C)(C)C)CC1(C)OCCO1	758863033	VIBZMHUHZYFIFB-NSHDSACASA-N	315.414	1.542	50	20	DDGD	
COCC(COC)NC(=O)NC[C@@]1(C)C[C@H]1Br	856861746	JGMOWPWAMOLDFJ-MWLCHTKSSA-N	309.204	1.121	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NCC1(N)CCCC1	851671337	LFNZNWSKKDMYLJ-UHFFFAOYSA-N	304.394	1.139	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNC(=O)c1cn[nH]c1)c1ccccc1	858137130	HDWPJSVKTOTNRO-CQSZACIVSA-N	315.377	1.794	50	20	DDGD	
CC1(C)CCC[C@H](C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1	752724039	QQVBXRZZNIWQCO-NWDGAFQWSA-N	300.424	1.740	50	20	DDGD	
CCN1CC[C@H](NC(=O)NNc2ccc(Cl)cc2C)C1=O	922384100	QBXBTIQJMHFFTM-LBPRGKRZSA-N	310.785	1.895	50	20	DDGD	
CN(C[C@@H]1COCCO1)/C(=C\C#N)c1ccc([N+](=O)[O-])cc1	852496440	QIZKVQTWUOTNGC-IJENKCAZSA-N	303.318	1.806	50	20	DDGD	
CCc1c(C(=O)NN(C)C(=S)NC)cnn1-c1ccccc1	854926787	LNJHFJXHCAUMTA-UHFFFAOYSA-N	317.418	1.516	50	20	DDGD	
CC1(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)CCC1	750528304	RAXITQHCFVOHMW-UHFFFAOYSA-N	324.764	1.834	50	20	DDGD	
Cc1nc2ccc(NC(=O)NNC(=O)c3cnccn3)cc2o1	755626099	VQODCHUEVQPLKE-UHFFFAOYSA-N	312.289	1.393	50	20	DDGD	
CCOc1ccc(NNC(=O)c2noc3c2COCC3)cc1	857866013	QZANTXZHTGZKLG-UHFFFAOYSA-N	303.318	1.903	50	20	DDGD	
CC(C)c1nc2ccccn2c1NC(=O)NNC(=O)CN(C)C	933760785	STYWHZAWVJECTP-UHFFFAOYSA-N	318.381	1.172	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)c2ccc(Cl)cc2O)o1	751063163	LQIHDYGFJCYYHI-UHFFFAOYSA-N	309.709	1.725	50	20	DDGD	
O=C(CCC[C@H](O)c1ccccc1)NNC(=O)c1cn[nH]c1	862469863	VDXWNJQGFTYJLU-ZDUSSCGKSA-N	302.334	1.075	50	20	DDGD	
CCOCCOCCCC(=O)NNC(=O)c1cc(C)cs1	862480915	ONHCFZKQLFDTQI-UHFFFAOYSA-N	314.407	1.651	50	20	DDGD	
CC(C)C(=O)N1CCCC[C@H]1C(=O)NN[C@H](C)C(F)(F)F	862308617	BYSGDBYHNVICDH-ZJUUUORDSA-N	309.332	1.595	50	20	DDGD	
CCCN(NC(=O)[C@H]1CCOC(=O)N1)C(=O)OC(C)(C)C	861678076	PHZMAWVHTDYKLG-SECBINFHSA-N	301.343	1.163	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H]2CCCN(c3ccccc3)C2=O)cc[nH]1	862514100	QGJWYLVRIPXWEE-MRXNPFEDSA-N	324.384	1.698	50	20	DDGD	
O=C(NN=Cc1ccc(O[C@H]2CCOC2)cc1)c1cn[nH]c1	863152615	XQFFHMJUQGJWBJ-AWEZNQCLSA-N	300.318	1.341	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C1CCc2cc(Cl)ccc21	863189160	BMBIBCYMSFWNBT-UHFFFAOYSA-N	300.767	1.151	50	20	DDGD	
COCC[C@@](C)(O)CNC(=O)[C@H](Br)C(C)(C)C	768202273	XPYPNQWRDLDBCN-JOYOIKCWSA-N	310.232	1.700	50	20	DDGD	
CCC1(C(=O)NNC(=O)CSc2ccccc2OC)COC1	762370004	BRVDODCNYYAPGG-UHFFFAOYSA-N	324.402	1.361	50	20	DDGD	
Cc1nnc2ccc(C(=O)NNc3nc4ccccc4[nH]3)cn12	768494762	IPJFDFGGUXWKKV-UHFFFAOYSA-N	307.317	1.671	50	20	DDGD	
Cc1cc(=NNC(=O)CN(C(=O)OC(C)(C)C)C2CC2)cc[nH]1	862514379	LEIHDMVXHWJXGI-UHFFFAOYSA-N	320.393	1.655	50	20	DDGD	
CC(C)Cn1[nH]c(CC(=O)NNc2c(F)cccc2F)cc1=O	935020360	NXTHDNFUPIYTEP-UHFFFAOYSA-N	324.331	1.796	50	20	DDGD	
COc1cc(C(C)=NNC(=O)c2ccc[nH]2)c(OC)cc1O	763151437	YYOIJFWRLVECTJ-UHFFFAOYSA-N	303.318	1.892	50	20	DDGD	
Cc1cccc(CO[C@@H](C)C(=O)NNC(=O)c2ncccn2)c1	868893902	KPNSOSZTCAOMMR-LBPRGKRZSA-N	314.345	1.151	50	20	DDGD	
C[C@H]1CC[C@H](NC(=O)NNC(=O)c2c[nH]c3ccccc23)CN1	861685802	QJAOPEJHXGACIA-QWRGUYRKSA-N	315.377	1.252	50	20	DDGD	
COc1ccn2c(C(=O)NN[C@@H](C)C(F)(F)F)cnc2c1	862323625	UYGGGQRPPORCJW-ZETCQYMHSA-N	302.256	1.528	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1cnn(CC(F)(F)F)c1	763684929	RHIURIOKVZEKPE-UHFFFAOYSA-N	321.303	1.322	50	20	DDGD	
O=C(NNC(=O)C1(c2ccccc2Cl)CCC1)c1cn[nH]c1	862469305	GAIBFBDQXGUNPT-UHFFFAOYSA-N	318.764	1.946	50	20	DDGD	
CC(C)CCc1ccc(NC(=O)C(=O)NNC(=O)C2CC2)cc1	763561037	BEAFDNFZZLXAAM-UHFFFAOYSA-N	317.389	1.771	50	20	DDGD	
CC(CCc1ccsc1)=NNC(=O)[C@@H]1CCS(=O)(=O)C1	764905457	PBAGJIGXUPQVOR-GFCCVEGCSA-N	314.432	1.608	50	20	DDGD	
CCO[C@@H](CC(=O)NNC(=O)CCc1ccccc1O)C(C)C	760844150	JFEJWOXMJAZKSH-HNNXBMFYSA-N	322.405	1.923	50	20	DDGD	
CNC(=O)Cc1ccc(NC(=O)NNC(=O)C(C)(C)C)cc1	769948481	UQSROLYHMZMYGY-UHFFFAOYSA-N	306.366	1.174	50	20	DDGD	
N#C/C(=C/c1cn(C[C@@H]2CCCO2)nn1)C(=O)[C@H]1CCCOC1	865223706	KYFDHIFWUHAUKQ-MCCBUGKMSA-N	316.361	1.360	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cn(C)nc1-c1cc(F)ccc1F	864490730	KEPIOWMIDXLWMS-UHFFFAOYSA-N	322.315	1.782	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2c[nH]c3ccccc23)cc(O)n1	1116496172	UPCQMHBVTPEKAM-UHFFFAOYSA-N	310.313	1.652	50	20	DDGD	
CC1(CC(=O)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)CC1	760312458	FCPANWSYTYKMKR-UHFFFAOYSA-N	318.381	1.920	50	20	DDGD	
Cc1cccc(F)c1NC(=O)C(=O)NNC(=O)C1CCCC1	764066987	VMYSDVBYELZHIY-UHFFFAOYSA-N	307.325	1.410	50	20	DDGD	
CCO[C@H](C(=O)NNC(=S)Nc1ccc(OC)nc1)C1CC1	874954778	CSCXBGIAQCEWLW-LBPRGKRZSA-N	324.406	1.223	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@@H]1C(=O)O)c1cc2c(s1)CCC2	872832142	VFWBVSFJBSHJAL-UWVGGRQHSA-N	322.386	1.499	50	20	DDGD	
Cn1c(=O)cc(C(=O)NNc2ccnc(F)c2)c2ccccc21	1116521321	KDOLNWNKICXSCE-UHFFFAOYSA-N	312.304	1.830	50	20	DDGD	
CCn1nccc1NC(=O)C(=O)NNc1c(C)cccc1F	770818008	FHVYQANZQASXJL-UHFFFAOYSA-N	305.313	1.432	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1F)[C@@H]1CCc2nnnn2CC1	871270453	QPJJJSGGNOSGBF-MRVPVSSYSA-N	324.747	1.561	50	20	DDGD	
N#Cc1cc(NC(=O)C(=O)NNc2cccnn2)ccc1Cl	1116711786	BPMUNOUUHLEFCE-UHFFFAOYSA-N	316.708	1.083	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)[C@@H]1CCS(=O)(=O)C1	777465022	XIWXSPAOUXJAHT-LLVKDONJSA-N	305.359	1.113	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)C1CCOCC1	883060556	PQECHWDAYXNQGX-UONOGXRCSA-N	306.337	1.503	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)c2cccnn2)cc1	882061896	UMYOBJKZNUBUGE-UHFFFAOYSA-N	314.345	1.730	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1F)[C@H]1CCc2nncn2C1	885153546	LDRPXTIZWDVKLT-ZETCQYMHSA-N	311.267	1.401	50	20	DDGD	
O=C(NN=C/C=C/c1cccc(F)c1)[C@H]1CCS(=O)(=O)C1	884408395	GQAXNFBVCUYGQB-NLQHHURXSA-N	310.350	1.376	50	20	DDGD	
C[C@H](NS(=O)(=O)CCCCl)C(=O)N1CCCC[C@@H]1C	881854710	IQSATUXPPACZTK-QWRGUYRKSA-N	310.847	1.324	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@@H]2C=CCC2)cc1OC	883422436	MYPBAIPURQTZIU-LLVKDONJSA-N	319.361	1.614	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc(OCC2CC2)cc1	883062153	RWJALWDNGQLWQW-UHFFFAOYSA-N	318.373	1.663	50	20	DDGD	
C[C@H](CO)N(CC(=O)NNC(=O)C(C)(C)C)Cc1ccccc1	880374851	OTCAVZJRTIPNQI-CYBMUJFWSA-N	321.421	1.063	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)/C=C\c2cnn(C)c2)c1	781040596	VPZBVKVHICTUNF-SREVYHEPSA-N	300.318	1.363	50	20	DDGD	
C[C@H]1[C@@H](C)N(C)C(=O)[C@@H](C)N1S(=O)(=O)CCCCCl	882869837	RATIMOTZLVMICN-OUAUKWLOSA-N	310.847	1.275	50	20	DDGD	
CSC1(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CCC1	781846370	JBBIKWVBQGGGSS-LBPRGKRZSA-N	322.386	1.260	50	20	DDGD	
Nc1ncc(C=NNC(=O)CSc2ccc(Cl)cc2)cn1	781579390	UREAYLDWMNNVOC-UHFFFAOYSA-N	321.793	1.955	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)C1=NN(CCO)C(=O)CC1	885125056	JJMQTJIIEBADMR-UHFFFAOYSA-N	324.768	1.062	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)n1cc(-c2ccc(C)cc2)nn1	881293412	PNIRAFJVKYLGSK-NSHDSACASA-N	301.350	1.372	50	20	DDGD	
O=C(COc1ccc(Cl)cc1)NNC(=O)c1cccc(F)n1	783565929	LEIWVJNBLKNTCG-UHFFFAOYSA-N	323.711	1.714	50	20	DDGD	
CCC(=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1)c1cn[nH]c1	788977520	PUZRBRZOJCWDDM-RWMBFGLXSA-N	321.425	1.385	50	20	DDGD	
C=C1CCC(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)CC1	895511234	OZPFEHBTDRKZRJ-KBPBESRZSA-N	323.437	1.380	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1ccc(N2CCOCC2)c(F)c1	786044599	POMFZRTUBWTYBW-LCYFTJDESA-N	324.377	1.961	50	20	DDGD	
COc1ccc(C(=O)CCCCCC(=O)NN(C)C(N)=O)cc1	789835451	GSYMLKZERQDBAC-UHFFFAOYSA-N	321.377	1.870	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@H]2CCN2C2CCCC2)n1	896508198	PXBCPHFFTQMAHW-GFCCVEGCSA-N	304.398	1.003	50	20	DDGD	
Cc1ncc2c(n1)CCC[C@H]2NS(=O)(=O)CBr	782443872	AAFVETBIQVFTPH-SNVBAGLBSA-N	320.212	1.434	50	20	DDGD	
CCOc1c(Cl)cccc1C=NNC(=O)C(=O)NC(C)C	782179550	NEICMZAQBRADQB-UHFFFAOYSA-N	311.769	1.713	50	20	DDGD	
CS[C@H]1CC[C@H](NC(=O)NNc2nc3ccccn3n2)C1	790399618	RGNVIBSWZVJMGW-UWVGGRQHSA-N	306.395	1.640	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCc1cccc(C(N)=O)c1	791022744	WPZNXUGPSRDSFO-UHFFFAOYSA-N	313.361	1.358	50	20	DDGD	
CCC[C@H](O)CC(=O)NNC(=O)CCc1ccc(OC)cc1	792803324	QFQZZNFWAPXVMD-ZDUSSCGKSA-N	308.378	1.326	50	20	DDGD	
C[C@H]1COCCC1=NNC(=O)c1cccc(S(C)(=O)=O)c1	794493757	LGPHAEOINIKHCH-JTQLQIEISA-N	310.375	1.232	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2ccc(Cl)nn2)n2cccc21	790744880	DLEGPIBURGXLAR-VIFPVBQESA-N	305.725	1.592	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1cccc2c1CCO2	797671124	GTRMOXLSWRFUNX-UHFFFAOYSA-N	300.318	1.427	50	20	DDGD	
O=C(NNS(=O)(=O)c1cc(Cl)ccc1F)C1CCCC1	790056030	ZYVRHURBVJBVLB-UHFFFAOYSA-N	320.773	1.979	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1ccc(C(C)(C)C)nn1	1318597441	JQYHTDCLLFOJKX-UHFFFAOYSA-N	309.370	1.353	50	20	DDGD	
Nc1cnnc(NNC(=O)NCCc2ccc(F)cc2)c1Cl	1319380591	RZZHAGUWNCIBFS-UHFFFAOYSA-N	324.747	1.720	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H](c1ccccc1)n1cccn1	1318131501	ZWLPSTYXJMOIDF-CYBMUJFWSA-N	317.418	1.376	50	20	DDGD	
Cc1csc(CCCNC(=O)NNC(=O)CC(F)(F)F)n1	1318197540	PFGNSSQBQUIQHW-UHFFFAOYSA-N	324.328	1.667	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CC[C@@H]2CCCCO2)cc1	1318660073	POQBKGSCUQCKNC-AWEZNQCLSA-N	306.362	1.806	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1C[C@H]2CCC[C@H](C1)C2	1320945652	NQNNLSBHYXOOKG-WOPDTQHZSA-N	310.394	1.692	50	20	DDGD	
Cn1c(=O)cc(C(=O)NNc2ncncc2F)c2ccccc21	1327887119	CVFXIQLOZOFSHA-UHFFFAOYSA-N	313.292	1.225	50	20	DDGD	
Cn1ccc(NNC(=O)c2ccccc2CN2CCOCC2)n1	1321104297	DFLVCAMODXMOKD-UHFFFAOYSA-N	315.377	1.009	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@@H]1CCc2ccccc21	1328132704	XBXPKNGLIFXQQI-FPMFFAJLSA-N	317.389	1.472	50	20	DDGD	
CC(C)CNC(=O)CNC(=O)NC[C@]1(C)C[C@H]1Br	1328495639	YIIMJBULBKMSJL-SKDRFNHKSA-N	320.231	1.231	50	20	DDGD	
Nc1cnnc(NNC(=O)Cc2c[nH]c3ccccc23)c1Cl	1322655278	KPMKSELNYQNGGF-UHFFFAOYSA-N	316.752	1.879	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H](CO)C2CCCC2)c1	1328731208	KDBZWKMWGPYGFX-LLVKDONJSA-N	311.407	1.552	50	20	DDGD	
Cc1cccc2c1CC[C@@H]2NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	1329243431	FXKIRVYDLFDQLC-KYOSRNDESA-N	317.389	1.738	50	20	DDGD	
C[C@@H](OC1CCCCC1)C(=O)NNc1nncc(N)c1Cl	1333507250	GRGPEQFLCORUND-MRVPVSSYSA-N	313.789	1.893	50	20	DDGD	
CCN(CC)CC[C@@H](C)NC(=O)NNC(=O)Cc1cccnc1	1339891937	HCOYYGXRZDWCBM-CYBMUJFWSA-N	321.425	1.075	50	20	DDGD	
CC1=NO[C@](C)(C(=O)NNC(=O)CSc2ccc(C)cc2)C1	1335412304	GAHHWACOQKKSIE-HNNXBMFYSA-N	321.402	1.789	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)N[C@@H]1CCCc2sccc21	1331537110	OVOIPPIKZNKVKY-SNVBAGLBSA-N	305.363	1.493	50	20	DDGD	
CO[C@H](CNS(=O)(=O)CBr)C1CCCCC1	695126310	MCKIEOGYGRSCEL-SNVBAGLBSA-N	314.245	1.854	50	20	DDGD	
Cc1nn(C)cc1CCC(=O)NNc1cnc2ccccc2n1	1339288098	OVKPQSQHZPQGGV-UHFFFAOYSA-N	310.361	1.748	50	20	DDGD	
N#Cc1ccc(NNC(=O)NCCCCN)c(C(F)(F)F)c1	1348563880	XORNUEMFMACFGZ-UHFFFAOYSA-N	315.299	1.942	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)c2ccccc2Cl)cn1	1344049632	RCMYDFUHRJOETJ-UHFFFAOYSA-N	304.737	1.852	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1nc(C2CC2)n(-c2ccccc2)n1	1350778806	RIMZMAKZSWPSHD-LLVKDONJSA-N	315.377	1.102	50	20	DDGD	
O=C(NN=C1CCc2c1cccc2[N+](=O)[O-])C1CCOCC1	1353090113	WDVRRCNTTQIURR-UHFFFAOYSA-N	303.318	1.788	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H]1C(=O)NNc1cccc(C(F)(F)F)n1	1606407822	WPHFDASQDJOPDA-RNFRBKRXSA-N	303.240	1.654	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNC(=O)c2ccccc2Cl)o1	1602323370	FFBOGRWKPWHXQH-UHFFFAOYSA-N	308.677	1.706	50	20	DDGD	
NC(=O)[C@H]1CCC[C@H](C(=O)NNc2cccc(C(=O)O)c2F)C1	1601145121	OAUJRNKAVUUKIN-IUCAKERBSA-N	323.324	1.259	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccc(C)c(C(=O)O)c1)N1CCCC1=O	1604869268	OTMBQQUJPCJATF-ZDUSSCGKSA-N	319.361	1.537	50	20	DDGD	
Cc1ccc(S(=O)(=O)NCCCSC#N)cc1C(=O)O	1600480653	YXQPHBNBHQSPEQ-UHFFFAOYSA-N	314.388	1.576	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@@H]1CC[C@H](C(=O)O)C1	1604195986	YLPUYCRPHPZRIK-OLZOCXBDSA-N	320.345	1.787	50	20	DDGD	
CC(C)N1CCC[C@@H](C(=O)NNc2ccc(CC(=O)O)cc2)C1	1603893649	OYKOPMCHCWQMOW-CQSZACIVSA-N	319.405	1.877	50	20	DDGD	
O=C(O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)NNc1cccc(F)n1	1602210962	KCMSRBXJLWQOQO-NGERZBJRSA-N	305.309	1.577	50	20	DDGD	
Cn1nccc1[C@@H](NC(=O)c1cccc(CCl)c1)C(=O)O	1608162331	DORSESYPWODKOB-GFCCVEGCSA-N	307.737	1.715	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1cccc(-n2cncn2)c1	1601561357	CFWIRPIDPFLNGX-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)CN)C2	1800070356	DQPPJJXTJLUAJI-IEECTRCBSA-N	315.845	1.237	50	20	DDGD	
C[C@@H]1C(=NNC(=O)[C@H]2CCCO[C@H]2c2nccn2C)CCN1C	1549906196	ZLKVGMYQKHUQBW-MBNYWOFBSA-N	319.409	1.084	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C(=O)NN=Cc1ccc[nH]1	1549308032	AIRUBKKZNXFNOR-QWHCGFSZSA-N	301.350	1.366	50	20	DDGD	
CO[C@@H]1C[C@H](C(=O)N2CCCC2)N(C[C@@H]2[C@@H](C)[C@H]2Cl)C1	1550633436	RHJPNYJDZXJCAD-DHGKCCLASA-N	300.830	1.571	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2(F)CCNCC2)c1F	1578878253	SOLLTVVKJXQJPN-UHFFFAOYSA-N	313.304	1.147	50	20	DDGD	
CC1(C)C(C)(C)C1(C(=O)O)C(=O)NNC(=O)NC1CCCC1	1589205965	QXSTZNRJCAIEHR-UHFFFAOYSA-N	311.382	1.396	50	20	DDGD	
CC1(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C(Cl)Cl)COC1	1847341591	ZBNCKGMNOPIXTF-IUCAKERBSA-N	321.204	1.028	50	20	DDGD	
C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843362149	FUZHLOQYEXWRLO-WDEREUQCSA-N	318.776	1.315	50	20	DDGD	
CCOCC(=O)N1CC2(CCCN2C(=O)C(C)(C)CCl)C1	1841225814	OBKJXVSMJLYFGC-UHFFFAOYSA-N	316.829	1.491	50	20	DDGD	
CC(=O)NN=Cc1cccn1Cc1ccccc1-c1nn[nH]n1	1588870021	QYOYBWGTGFDSKJ-UHFFFAOYSA-N	309.333	1.187	50	20	DDGD	
C#CCCCC(=O)NN=C1CCc2ccc(-c3nn[nH]n3)cc21	1588340781	FTSQNTACIXTOCA-UHFFFAOYSA-N	308.345	1.437	50	20	DDGD	
COc1cnc(NC(=O)NNc2ccc(CC(=O)O)cc2)s1	1599724734	OWDYYKZOSQSUHP-UHFFFAOYSA-N	322.346	1.927	50	20	DDGD	
Cc1nc(C(=O)N2CCCC23CN(C(=O)[C@H](F)Cl)C3)co1	1842455505	VSAYHDSZYOCHQX-JTQLQIEISA-N	315.732	1.334	50	20	DDGD	
COCCCC(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1841264447	BUBHHLKVGCMPKK-LLVKDONJSA-N	306.765	1.151	50	20	DDGD	
C[C@H]1CCC[C@@H]1CNC(=O)NNc1cccc(-c2nn[nH]n2)c1	1590249459	QNAAHOWSFYFPPA-CMPLNLGQSA-N	315.381	1.929	50	20	DDGD	
CCCCC1(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)CC1	1590585995	OVCRGCHCUPSBDB-UHFFFAOYSA-N	301.354	1.675	50	20	DDGD	
C/C=C(\C)C(=O)N1CC2(CCCN2C(=O)[C@@H](Cl)COC)C1	1846364186	BREZUDCXROJWHS-QNCMIEPLSA-N	314.813	1.410	50	20	DDGD	
CCc1ccc(NNC(=O)c2ncc(-c3nn[nH]n3)cc2C)cc1	1590891355	IOGVIBLTYLKHTJ-UHFFFAOYSA-N	323.360	1.889	50	20	DDGD	
O=C(NC[C@H]1CCC=CO1)NNc1cccc(-c2nn[nH]n2)c1	1593033648	KDOIPUUEBMRTJN-GFCCVEGCSA-N	315.337	1.186	50	20	DDGD	
C[C@]1(C(=O)O)CCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)C1	1593784248	IMEPCQLGWGZRPL-RCLKMUNOSA-N	300.314	1.622	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)Nc1cc(C(=O)O)n(C)c1	1592039499	KVLAHQRUSQZWKT-UHFFFAOYSA-N	318.337	1.785	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C/c1cc(F)c(C(=O)O)c(F)c1	1776946106	TUFVRUYMXSNSIW-FPYGCLRLSA-N	301.270	1.962	50	20	DDGD	
O=C(CCc1ccccc1O)NN=Cc1ccc(C(=O)O)nc1	1776042370	JCNWNBMDSQWEDC-UHFFFAOYSA-N	313.313	1.568	50	20	DDGD	
COc1cc(C(=O)O)ccc1C=NNC(=O)c1ccc(O)nc1	1776094609	BTFKXDMRQAYGME-UHFFFAOYSA-N	315.285	1.258	50	20	DDGD	
C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](Cl)CC)C2)C1	1781222351	SDYULMGJVMQKKQ-WFASDCNBSA-N	314.813	1.410	50	20	DDGD	
Cc1cc(C)cc(C(=O)NNC(=O)Cn2nc(C)cc2C)c1	15462446	GOIPNRGRWNDJKQ-UHFFFAOYSA-N	300.362	1.578	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC=CCC1)c1n[nH]c(=O)c2ccccc12	17194570	JUBRVXVKFKWQFQ-JTQLQIEISA-N	312.329	1.040	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Cc2c(C)noc2C)cc1	18095543	KWVOURPIHQNFPY-UHFFFAOYSA-N	301.346	1.858	50	20	DDGD	
COCCN1C[C@H](C(=O)NNc2ccc(F)cc2C)CC1=O	160835890	RTFGGAUISDYOPM-LLVKDONJSA-N	309.341	1.072	50	20	DDGD	
O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C1=CCCC1	152989234	DPGHRIUQVGFFSS-UHFFFAOYSA-N	321.402	1.681	50	20	DDGD	
Cc1ccccc1C(=O)NNc1nccc(N2CCOCC2)n1	155534238	HSUDXMXIRWUWMS-UHFFFAOYSA-N	313.361	1.379	50	20	DDGD	
CC(C)N(C)c1cccc(NC(=O)NNC(=O)CN(C)C)c1	156032128	QLDWPPSHFUZWIB-UHFFFAOYSA-N	307.398	1.246	50	20	DDGD	
O=C(NC[C@H]1[C@H]2c3ccccc3C[C@H]21)NNC(=O)[C@@H]1CCCO1	155653865	OMFQKAZOVPMHTF-XGUBFFRZSA-N	315.373	1.082	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(F)c(-n2nnnc2C)c1	159379010	SMGWACPZJGCIRJ-NTMALXAHSA-N	316.296	1.492	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cc(Cl)c[nH]2)cc1	102791582	XRMQOFHNBHEZGN-UHFFFAOYSA-N	307.737	1.817	50	20	DDGD	
Cc1c(C(=O)NNC(=O)Cn2ccc3ccccc32)cnn1C	104630538	JUKQNHMZKUDBCP-UHFFFAOYSA-N	311.345	1.144	50	20	DDGD	
COc1ccc(F)cc1C(=O)NNC(=O)Cc1ccc(F)cc1	23448249	RZEOFRDGHOLVRN-UHFFFAOYSA-N	320.295	1.977	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@@H]1CSCCS1	108975231	QBYZDULHNRTYEH-NSHDSACASA-N	314.407	1.364	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)n1C	23567516	TTXJEHYCCWLMTP-LLVKDONJSA-N	319.336	1.701	50	20	DDGD	
COc1c(C)cc(C(=O)NNc2ncnc3nc[nH]c23)cc1C	179856205	JOMJIANPOUNGBH-UHFFFAOYSA-N	312.333	1.735	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)C2(O)CCC2)c1	118961923	RRYMXLPMLHRSAL-UHFFFAOYSA-N	320.389	1.560	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)c2c[nH]nc2C)cc1	110759566	WTOAAFUUXOGOSC-UHFFFAOYSA-N	316.361	1.972	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2c(N)cccc2[N+](=O)[O-])c(C)o1	180591329	SOIKKJIRZXKMIB-UHFFFAOYSA-N	318.289	1.462	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Nc1cc(C)nn1C	67454923	WMNYPXSUBJLUNX-UHFFFAOYSA-N	303.322	1.204	50	20	DDGD	
CC1CCN(c2ccc(C(=O)NNc3cnccn3)cn2)CC1	114882410	XPFGQBNKEVDCHT-UHFFFAOYSA-N	312.377	1.865	50	20	DDGD	
C[C@H](CNC(=O)NNc1cccnn1)COCc1ccccc1	172493748	KJQAKBFSVUIHAU-CYBMUJFWSA-N	315.377	1.956	50	20	DDGD	
CCNC(=O)NNC(=S)Nc1ccc(C(=O)OCC)cc1	64937113	LOBWLJWMIFUESM-UHFFFAOYSA-N	310.379	1.384	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)CC1(O)CCCCC1	304424416	IMQYXSCDFVTDDS-UHFFFAOYSA-N	304.390	1.852	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1C1CC1)c1cc(Br)c[nH]1	177655476	HLWIOVJRURWRGX-RKDXNWHRSA-N	312.167	1.584	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)C(=O)Nc1ccc2ccccc2c1	123191350	LQCXTZAXNJOWRH-UHFFFAOYSA-N	322.324	1.568	50	20	DDGD	
CCCN1CC[C@H](CNC(=O)NNc2cccc(OC)n2)C1	181431133	KQTYTDCVYLTTEZ-GFCCVEGCSA-N	307.398	1.448	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc(Br)cc1OC	126693434	WLJDNLDUNQJLRQ-UHFFFAOYSA-N	302.128	1.032	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1ccc(Br)cc1C	129087344	OZGAJHLBXHGMLM-UHFFFAOYSA-N	323.168	1.307	50	20	DDGD	
Cc1noc(C)c1CN(C)CC(=O)NNC(=O)c1ccccc1	72514738	CDZJUAYBNKSHSL-UHFFFAOYSA-N	316.361	1.184	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H]2CCCOCC2)cc1	181752493	KUXSHQIUFIQELD-CQSZACIVSA-N	305.378	1.762	50	20	DDGD	
Cc1occc1C(=O)NCC(=O)NNc1ccccc1[N+](=O)[O-]	76546192	UZOZLDWHCWUDQS-UHFFFAOYSA-N	318.289	1.369	50	20	DDGD	
Cc1nn(C)c(C)c1OCC(=O)NNc1ccccc1[N+](=O)[O-]	120943300	RVFKOLJBOHVWTJ-UHFFFAOYSA-N	319.321	1.467	50	20	DDGD	
C[C@@H](CCc1cccc(F)c1)C(=O)NNC(=O)[C@@H]1CCCO1	79552175	UOBIJCOWXMPHPJ-FZMZJTMJSA-N	308.353	1.721	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Nc2ccncc2C)c1	183449529	DWALIMUWNGRSJG-UHFFFAOYSA-N	314.345	1.930	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21	130141509	BRKLUDZZHRQOOO-VHDGCEQUSA-N	310.357	1.687	50	20	DDGD	
Cc1ccc(Cl)cc1S(=O)(=O)NNC(=O)[C@@H]1CCCO1	48654022	FGLBQKUDOBJCFS-JTQLQIEISA-N	318.782	1.137	50	20	DDGD	
O=C(NNc1ccccn1)[C@@H]1CC(=O)N(Cc2ccco2)C1	181172974	CWPXFVFKXYVYRV-LLVKDONJSA-N	300.318	1.166	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2c(C)ccn(C)c2=O)cc1	131419929	YMPKWIYNOIBIKK-UHFFFAOYSA-N	314.345	1.084	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnn(-c2ccc(C)cc2)c1C	139200951	BDHNFTHJGOSDEB-UHFFFAOYSA-N	301.350	1.453	50	20	DDGD	
CNC(=O)NNC(=O)Cc1cc(F)ccc1Br	137384408	MBPBEKGSNSBWRC-UHFFFAOYSA-N	304.119	1.091	50	20	DDGD	
O=C(COc1ccc(Cl)cc1)NNC(=O)NC1CCCC1	42297781	CPHGBDIDJSQHIN-UHFFFAOYSA-N	311.769	1.992	50	20	DDGD	
COc1ccc(CCNC(=O)NNC(=O)c2ccc(C)o2)cc1	84140190	PXNDPCATLZCJOO-UHFFFAOYSA-N	317.345	1.783	50	20	DDGD	
O=C(Cc1ccc(O)cc1)NNC(=O)c1ccc(Cl)nc1	133270677	CSFNBHCTXOJEBK-UHFFFAOYSA-N	305.721	1.444	50	20	DDGD	
C[C@H](CS(C)(=O)=O)C(=O)NNc1cccc(C(F)(F)F)c1	80064540	BVGLXZNFCCERRW-MRVPVSSYSA-N	324.324	1.829	50	20	DDGD	
N[C@@H]1CCC[C@@H](C(=O)NNc2nc(-c3ccccc3)no2)C1	237873922	GNTSQDMHAMXAFC-VXGBXAGGSA-N	301.350	1.697	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(C)c(C)s1	91822070	VJWVGEAQJCMRQE-UHFFFAOYSA-N	303.478	1.837	50	20	DDGD	
CSCCNC(=S)NNC(=O)/C=C\c1cccc(F)c1	255305581	YKOUFQFHYSXCBX-WAYWQWQTSA-N	313.423	1.697	50	20	DDGD	
C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)[C@H]1CCCCO1	269366538	WCVAXHIIPRECIS-SMDDNHRTSA-N	317.345	1.042	50	20	DDGD	
N#C/C(=C\c1ccccc1OCC(=O)NCC1CC1)C(=O)O	265349281	JYPIYYSHKTVPLE-NTUHNPAUSA-N	300.314	1.583	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NC[C@H]1CCCOC1)c1ccccc1	264676132	VVADACSBLOOEHA-CYBMUJFWSA-N	319.405	1.721	50	20	DDGD	
C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NNc1ncccn1	266921553	IJXPGVUNHXDDIJ-JTQLQIEISA-N	309.370	1.423	50	20	DDGD	
CC[C@H](OC)C(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	269034801	NKRPDVHMOIWGDR-JTQLQIEISA-N	308.363	1.324	50	20	DDGD	
COC(=O)c1ccc(/C=C(\C#N)C(=O)NCCCOC(C)C)[nH]1	267577990	JZINXEPKXGBGAB-FMIVXFBMSA-N	319.361	1.640	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cnn(C)c2C2CC2)n1	266968910	WCYFETFNHJTGEO-UHFFFAOYSA-N	302.338	1.161	50	20	DDGD	
O=C(Cc1csc(-c2ccccn2)n1)NNC(=O)C1CCC1	264765480	NNDHLLDTOZFRTC-UHFFFAOYSA-N	316.386	1.695	50	20	DDGD	
COc1ccc(OS(=O)(=O)CBr)cc1OC	272768933	DZYMBZFAPXBPLB-UHFFFAOYSA-N	311.153	1.765	50	20	DDGD	
CCNC(=O)N(C)NC(=O)COc1ccc2ccccc2c1	271252569	FRCGGMQRNOIIKF-UHFFFAOYSA-N	301.346	1.911	50	20	DDGD	
Cc1ccc(CN(CCO)S(=O)(=O)CBr)cc1	272859325	QAXCZEILVZBSBG-UHFFFAOYSA-N	322.224	1.472	50	20	DDGD	
CCOC(=O)[C@@H](CC)SCC(=O)NNC(=O)c1ccccc1	279922333	KSTJQVAZBXHQMS-GFCCVEGCSA-N	324.402	1.523	50	20	DDGD	
COc1ccc(NNC(=O)Nc2cc(C)n(CCC#N)n2)nc1	275822187	XAULNKWNPSERJB-UHFFFAOYSA-N	315.337	1.657	50	20	DDGD	
C=C(C)[C@H](CC(=O)NNC(=O)COCc1ccccc1)OCC	270093561	XZGGRRGHUJDUGV-HNNXBMFYSA-N	320.389	1.722	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CCCSC2)c1	272695554	XCPVLYGBXCTSGS-GFCCVEGCSA-N	309.391	1.995	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1	273191294	JBOMQIOESHZTJE-GHMZBOCLSA-N	306.366	1.473	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cccc(C2CCC2)c1	281654169	PWDWQTYJUGXIDF-UHFFFAOYSA-N	305.378	1.935	50	20	DDGD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)c1ccc(Cl)cc1O	280068289	PLUPWNVQMPBPJH-BDAKNGLRSA-N	324.764	1.812	50	20	DDGD	
COC(=O)N(C)NC(=O)C1CCN(Cc2ccccc2)CC1	286295475	JORLRBQBSRRXAF-UHFFFAOYSA-N	305.378	1.628	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CCc1c[nH]cn1)c1ccccc1	280441955	FLRMJBFZTOGVLR-UHFFFAOYSA-N	300.362	1.468	50	20	DDGD	
CSSCCNC(=O)N[C@H]1CCc2nc(C)ncc2C1	375134939	NTSKZDWMJJENFW-NSHDSACASA-N	312.464	1.953	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CC[C@@H]2CCCO2)cc1	282986407	WIJYFIVHARNWPW-ZDUSSCGKSA-N	319.361	1.040	50	20	DDGD	
C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NNc1ncc(F)cc1F	297756229	CFYGIMKVLHRLSZ-UFBFGSQYSA-N	311.336	1.469	50	20	DDGD	
O=C(CN1CCCC1=O)NNc1cc(C(F)(F)F)ccn1	295396923	RAPFPJCWUCRPSP-UHFFFAOYSA-N	302.256	1.166	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)C2[C@H]3CCC[C@H]23)cc1	802124087	CBRURUUWTMRFQY-STQMWFEESA-N	302.378	1.951	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1F)NOCC1CC1	297513739	WKXSVHRAADNMNG-UHFFFAOYSA-N	301.705	1.765	50	20	DDGD	
C[C@@H](C(=O)NNc1ccncn1)N(C(=O)OC(C)(C)C)C1CC1	295321775	AFLWXGHRVUCCNU-JTQLQIEISA-N	321.381	1.708	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N=c1ccnc2n(C)[nH]cc1-2	806491455	KAZFVDLFUQPUTO-UHFFFAOYSA-N	314.324	1.938	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cc(-c2ccccn2)no1	802027471	IIIXYSGSZLYHBY-UHFFFAOYSA-N	324.300	1.020	50	20	DDGD	
NC(=O)Cc1occc1C(=O)NNc1cnc2ccccc2n1	803109114	LFTWIDQIAHPCGG-UHFFFAOYSA-N	311.301	1.008	50	20	DDGD	
Cc1ocnc1C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802105835	IGXDPJNFTJBWDR-UHFFFAOYSA-N	304.262	1.178	50	20	DDGD	
N#Cc1ccc(NNC(=O)CNc2ccccc2C(N)=O)cc1	809730232	FZDPUSHJSAXGME-UHFFFAOYSA-N	309.329	1.212	50	20	DDGD	
COc1cc(NNC(=O)c2cc([N+](=O)[O-])n[nH]2)ccc1Cl	803261989	OFDXRWXWXYNOAQ-UHFFFAOYSA-N	311.685	1.737	50	20	DDGD	
CCOc1ccccc1NC(=O)NNC(=O)[C@H]1CCCCO1	297373594	FUMCUMUNFIFXIM-CYBMUJFWSA-N	307.350	1.807	50	20	DDGD	
CC(C)c1nnc(CCC(=O)NNC(=O)Nc2ccccc2)o1	801990895	CQOGHXLEIMFLMM-UHFFFAOYSA-N	317.349	1.979	50	20	DDGD	
CCc1nnc(CNC(=O)NNc2cc(Cl)ccn2)s1	291003338	RDIMSNAHEWPPOT-UHFFFAOYSA-N	312.786	1.975	50	20	DDGD	
CCC(CC)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	291194774	LQSWMKUDAXHMRA-UHFFFAOYSA-N	313.423	1.816	50	20	DDGD	
Cn1nnc2c1C[C@H](C(=O)NNc1cccc(Cl)n1)CC2	293785706	WKFWWEFQTWSKHG-MRVPVSSYSA-N	306.757	1.112	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N=c1cc[nH]cc1)C1CCOCC1	802032730	URJLXAIHFWPGSC-UHFFFAOYSA-N	306.366	1.109	50	20	DDGD	
Cn1nnc2c(C(=O)NNc3cccnc3Cl)ccnc21	801630128	MLFUWRIBFWUEEU-UHFFFAOYSA-N	303.713	1.169	50	20	DDGD	
C[C@@](O)(C(=O)NNc1nc(-c2cccnc2)no1)C1CCC1	813447026	AEXRFOSYIJQPQA-AWEZNQCLSA-N	303.322	1.126	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1c[nH]nc1-c1ccsc1	814956169	MPCNYQUADUGEFV-UHFFFAOYSA-N	300.347	1.554	50	20	DDGD	
COc1cc(C)c(C=NNC(=O)N=c2cc[nH]cc2)cc1OC	815003817	LMFLUDYXXCYERP-UHFFFAOYSA-N	314.345	1.985	50	20	DDGD	
O=C(NNc1ncncc1F)c1ncccc1C(F)(F)F	817078022	QXBRBQINDBVXJR-UHFFFAOYSA-N	301.203	1.786	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)c1cccc2ncccc12	812501501	BHTYLJLOGCFLBY-NEPJUHHUSA-N	315.373	1.914	50	20	DDGD	
O=C(NNc1c(F)cccc1Cl)[C@H]1CCc2nncn2C1	816163199	GMIPIYFFVWQERR-QMMMGPOBSA-N	309.732	1.776	50	20	DDGD	
CO[C@H]1CCC[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)C1	814362057	OBOQHZPBODXZML-PWSUYJOCSA-N	320.345	1.382	50	20	DDGD	
Cc1cncc(CCC(=O)NNc2cc(Cl)nc(N)n2)c1	816047092	VOOZXQGBCWRTDX-UHFFFAOYSA-N	306.757	1.492	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](CO)CN(C)C)cc1	819825777	XDSZGXNDVFXDGH-HNRFISLBSA-N	317.389	1.031	50	20	DDGD	
CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NN(C)C1CC1	819643088	WUHJJPTVICRWJJ-INIZCTEOSA-N	301.390	1.648	50	20	DDGD	
C[C@@H]1CN(Cc2ccccc2)CC1=NNC(=O)Cc1cc[nH]n1	814955981	GJFGEGBMPRUODN-CYBMUJFWSA-N	311.389	1.576	50	20	DDGD	
CCOc1ccc(NNC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1	817882449	ODNDZCAKSGLMQG-NSHDSACASA-N	312.391	1.353	50	20	DDGD	
Cc1cc(Cl)cc2c1OCC2=NNC(=O)C[n+]1ccccc1	814695360	YNABLUPXLXDGQK-UHFFFAOYSA-O	316.768	1.849	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCS1)c1cccc(OCC(=O)O)c1	819823498	BAHWYAJSGADUOJ-ZDUSSCGKSA-N	322.386	1.886	50	20	DDGD	
CN(C)c1ccc(C=NNC(=O)N=c2cc[nH]cc2)cc1F	815001111	ZMQJSZJQYWLJDA-UHFFFAOYSA-N	301.325	1.864	50	20	DDGD	
CS(=O)(=O)/C(C#N)=C\c1ccc(N2CCOCC2)c(F)c1	727264791	WKUFSOORDXVUDW-WQLSENKSSA-N	310.350	1.571	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	822205052	JYNFTHSQTAHZJE-AWEZNQCLSA-N	303.362	1.673	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1Cc2ccccc2O1	826446446	MCQOYNADWSSTDW-AWEZNQCLSA-N	322.328	1.314	50	20	DDGD	
CCN(CCO)NC(=O)c1cc2cc(OC)ccc2nc1C	823841220	FOTDOJRGBOMHOM-UHFFFAOYSA-N	303.362	1.511	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccc(C)cc1C	728436696	SCFLDSNCZZLYCT-GFCCVEGCSA-N	311.407	1.081	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1	823902287	PCKWTVDUWMUTJS-KCJUWKMLSA-N	306.284	1.083	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cccc(N2CCOC2=O)c1	495063243	BNYSIOPFRLEAKK-UHFFFAOYSA-N	320.349	1.842	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(F)c(C(F)(F)F)c(F)c1	823879875	VVZVDDBQEZEYTB-UHFFFAOYSA-N	312.238	1.943	50	20	DDGD	
C[C@H]1SCC[C@@H]1NC(=O)NNc1ccc(-n2cccn2)nn1	828531265	IMQBDSKIZYPVGF-ZJUUUORDSA-N	319.394	1.182	50	20	DDGD	
CCCNC(=O)NN=C1CCCc2cc(-c3nn[nH]n3)ccc21	821114498	VAYOOEODMMAOOM-UHFFFAOYSA-N	313.365	1.616	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NC[C@H]1CCN(C2CC2)C1	491176505	PYNGGNGTLQFLCM-WJQTUHTMSA-N	311.385	1.900	50	20	DDGD	
COC(=O)C(C)(C)N(C)C(=O)/C(C#N)=C/c1ccc(O)cc1	491046226	GZGKVKYJUKCMMO-FMIVXFBMSA-N	302.330	1.709	50	20	DDGD	
N#C/C(=C/c1ccc(F)c(-c2nn[nH]n2)c1)C(=O)N1CCCC1	826379572	VXMPQOKUTCZMNU-XFFZJAGNSA-N	312.308	1.535	50	20	DDGD	
C[C@H]1CCCC[C@H]1C(=O)OCC(=O)NNC(=O)c1ccccc1	820946521	NPCWKUJNXHLHCO-GXTWGEPZSA-N	318.373	1.817	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccn(-c2ccc(F)cc2C)n1	495825870	UCRHEMKALKGICL-UHFFFAOYSA-N	306.297	1.663	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(F)cc(Br)c1F	823385026	ZWJDHLXJEPGBFJ-LURJTMIESA-N	323.137	1.685	50	20	DDGD	
COc1ncc(/C=C\C(=O)NN=c2cc[nH]cc2Cl)cn1	492699042	AMKAIHZKVWMBND-IHWYPQMZSA-N	305.725	1.112	50	20	DDGD	
C#CCCCC(=O)NN=C1COc2c1ccc(OC)c2OC	901325703	VBEYIOGVQUAYDC-UHFFFAOYSA-N	302.330	1.720	50	20	DDGD	
CCO[C@H](CCN(C)C)CNC(=O)[C@@]1(C)C[C@H]1Br	906941164	LZEDNCIXZWESAN-WZRBSPASSA-N	321.259	1.633	50	20	DDGD	
Cc1cccc2c1NC(=O)C2=NNC(=O)c1ccnc(N(C)C)c1	731561077	MPMCWUQXKBJHOQ-UHFFFAOYSA-N	323.356	1.542	50	20	DDGD	
CNC(=O)[C@@]1(C)CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1	491052732	WPWPGYJNZHJNOD-GQPJMJRUSA-N	315.348	1.717	50	20	DDGD	
COc1ccc(NCc2ccc(B(O)O)o2)cc1OC(C)C	585035430	SVLOLQAWHINEKN-UHFFFAOYSA-N	305.139	1.367	50	20	DDGD	
CC(C)(c1nc(-c2cccc(B(O)O)c2)no1)C1CCOCC1	585052502	OHUTYDGTHCDJQI-UHFFFAOYSA-N	316.166	1.121	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C	496003053	DUBNJVHZOPXAGO-IUCAKERBSA-N	303.359	1.313	50	20	DDGD	
O=C(/C=C/c1ccccc1)NNC(=O)COc1ccccc1O	491559878	BYHUZHMRMJYUCW-ZHACJKMWSA-N	312.325	1.632	50	20	DDGD	
C[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)CC12CCCCC2	584974420	HIEQLHNOJXIFAN-AWEZNQCLSA-N	315.222	1.799	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)C2CCC2)c1OC	732142124	SSJDDAUAKZNCLU-UHFFFAOYSA-N	306.362	1.584	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)CCNC(=O)OC(C)(C)C)CCN1C	495185611	BMPYIIRRENTHAT-LLVKDONJSA-N	312.414	1.488	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1cc(F)ccc1OC(C)C	901823093	ZDOSEVXBOVYEQD-UHFFFAOYSA-N	320.342	1.552	50	20	DDGD	
C[C@@H]1[C@@H](C(=O)NNc2cccnn2)CCN1C(=O)OC(C)(C)C	492190576	VTNBFVLFABFUDN-MNOVXSKESA-N	321.381	1.565	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NC[C@@]1(C)CCOC1)c1ccccc1	733349157	VGZZUDZRZWHDKC-QGZVFWFLSA-N	319.405	1.721	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc(CSC)cc1	495408745	UOIXDDBZULUINN-UHFFFAOYSA-N	311.363	1.265	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCCO1)c1ccc(OCC#N)cc1	834989956	MADXGUJAGSMZBL-HNNXBMFYSA-N	301.346	1.998	50	20	DDGD	
O=C1COc2ccc(C=NNC(=O)[C@@H]3CCCCO3)cc2N1	834987258	VKJOTZKOPDUQBX-ZDUSSCGKSA-N	303.318	1.037	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)[C@@H]2CCCCO2)[nH]c1C	834986759	QOPCNBXRWDHOPD-ZDUSSCGKSA-N	307.350	1.519	50	20	DDGD	
C[C@@H](Sc1nncn1C)C(=O)NNc1ccccc1C(=O)O	833545490	SQHIPCGBIZXZEA-MRVPVSSYSA-N	321.362	1.137	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(F)cn1)c1nnc2n1CCC2	731364922	TVFPJPWJWWWLCZ-QMMMGPOBSA-N	305.317	1.146	50	20	DDGD	
COc1ccc(-c2n[nH]cc2CN2CC[C@H](B(O)O)C2)cc1	585077692	XKZMCAASGJWYPL-ZDUSSCGKSA-N	301.155	1.134	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2cc(C)ccn2)n1	838620760	MXOJIBVOHHZGBT-UHFFFAOYSA-N	302.338	1.323	50	20	DDGD	
CC(C)c1ocnc1C(=O)NNC(=O)CNc1ccccc1	732263265	MSWFNGGPDZOVDL-UHFFFAOYSA-N	302.334	1.671	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCCOCC1CCCC1	836673139	YYTWIWSDTUOHNC-UHFFFAOYSA-N	320.393	1.161	50	20	DDGD	
CC[C@H](C)c1ncc(NC(=O)c2cc(B(O)O)ccc2F)cn1	584982302	FFMPZWNKQYOEGI-VIFPVBQESA-N	317.129	1.061	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)C1CCS(=O)(=O)CC1	734553543	NXQADKHTQKZCJW-UHFFFAOYSA-N	322.308	1.372	50	20	DDGD	
COC(=O)CC(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	907094021	HNSMMMIITMXCKV-UHFFFAOYSA-N	301.224	1.583	50	20	DDGD	
COc1cccc2[nH]c(C(=O)NNC(=O)[C@@H]3CCCCO3)cc12	908516600	DMHJVPNENLMQLQ-AWEZNQCLSA-N	317.345	1.507	50	20	DDGD	
CC(C)(Cc1cccc(Cl)c1)C(=O)NNC(=O)c1ncon1	832825972	NGJOQGKJHYHDFC-UHFFFAOYSA-N	322.752	1.753	50	20	DDGD	
Cc1cc2c(o1)CC(C)(C)C[C@@H]2NCc1ccc(B(O)O)o1	585017574	ZUAAJBRQPTVDEB-ZDUSSCGKSA-N	303.167	1.664	50	20	DDGD	
Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2cccc(B(O)O)c2)C1	584949506	MMLFFEDEZMDZQL-GDBMZVCRSA-N	323.201	1.693	50	20	DDGD	
CC(=O)N[C@@H](C)C(=O)NNc1cc(F)ccc1Br	839880256	BMJBEQGPLPSKBW-LURJTMIESA-N	318.146	1.556	50	20	DDGD	
CC(F)(F)CNC(=O)NNC(=O)CCOc1ccccc1	836263523	XTPJZZOMMUKUIA-UHFFFAOYSA-N	301.293	1.441	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1C[C@]12CCNC2	831834153	BBXGZLHFACPIPY-RNCFNFMXSA-N	310.741	1.691	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@H]1CC1CCCC1	585009307	WJRMEANPEUJVLQ-AWEZNQCLSA-N	319.185	1.690	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)Cc1ccccc1C)C1CC1	836491368	SUILMWLURCFUAC-CQSZACIVSA-N	305.378	1.293	50	20	DDGD	
CCOCCCN1CCC(=NNC(=O)c2cccnc2)[C@@H](C)C1	735223522	DEHFAAUUXNPWDN-AWEZNQCLSA-N	318.421	1.936	50	20	DDGD	
C[C@H](CN(C)C(=O)c1ccc(B(O)O)c(F)c1)C1CCCCC1	585011804	XFKAXXJHQBMTGF-GFCCVEGCSA-N	321.201	1.794	50	20	DDGD	
CO[C@](C)(CNC(=O)NNC(=O)c1ccc[nH]1)c1ccccc1	838664683	ITYCTJNOQQCNRU-MRXNPFEDSA-N	316.361	1.521	50	20	DDGD	
Cc1ccc2c(CC(=O)N3CC[C@H](B(O)O)C3)coc2c1C	585076688	YRMNUCJYFQHGGY-ZDUSSCGKSA-N	301.151	1.667	50	20	DDGD	
Nc1ccc(C(=O)NN=Cc2c[nH]nc2-c2cccnc2)cc1	839384485	ZJOQEVLLPZLYOC-UHFFFAOYSA-N	306.329	1.818	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)CCC(C)=O	915776290	JTKGCLZWBFOWBU-UHFFFAOYSA-N	316.361	1.115	50	20	DDGD	
CCC[C@H](C(=O)NNc1ccc(Cl)c(F)c1)S(N)(=O)=O	830843315	ZDVYIQQEZKQMND-SNVBAGLBSA-N	323.777	1.379	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CCN(CC2CC2)C1	736650865	HCCXEUBTIDFAAY-CQSZACIVSA-N	316.405	1.423	50	20	DDGD	
CC(=NNC(=O)c1ccncc1)c1ccccc1OCC(=O)O	833384128	CPHDQRKMAYNQPJ-UHFFFAOYSA-N	313.313	1.699	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNC(=O)C1CCCC1)c1ccsc1	916449663	JZRJHUCWZQTDNJ-ZDUSSCGKSA-N	324.450	1.871	50	20	DDGD	
CC[C@@](C)(N[C@@H](C)C(=O)NNC(=O)CC(C)C)C(F)(F)F	746483220	LZHPJUCRZRVTQW-JOYOIKCWSA-N	311.348	1.889	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)N[C@H](C)C[C@@H](C)N)c1	831198078	ZELXVKFWGWEQDZ-CHWSQXEVSA-N	322.409	1.138	50	20	DDGD	
CCn1cnnc1CCNC(=O)c1c(C)nn(CCCl)c1C	746235505	XFYYGASJGAITLT-UHFFFAOYSA-N	324.816	1.323	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cccc2cccnc12	740762864	LSZBBLHJWCNZAV-UHFFFAOYSA-N	312.373	1.990	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1scnc1C(F)(F)F	843654448	IDTSYTOYMCHOFU-PHDIDXHHSA-N	323.296	1.348	50	20	DDGD	
CCn1ccc(CC(=O)NNc2ccc(OC)cc2[N+](=O)[O-])n1	845833146	ZIBIZURJSCDVHL-UHFFFAOYSA-N	319.321	1.506	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cc(Cl)ccc1O)[C@@H](C)O	842223799	FEIRZSIFKAOAPS-APPZFPTMSA-N	300.742	1.214	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)C(C)(C)CO)n[nH]2)cc1	847346292	TTZDXDAHRYNSMW-UHFFFAOYSA-N	316.361	1.165	50	20	DDGD	
COc1ncc(C(=O)NNC(=O)c2cccc3ccccc23)cn1	741581951	MYAMKYDDEIRFBZ-UHFFFAOYSA-N	322.324	1.713	50	20	DDGD	
COC(=O)[C@H](NNC(=O)[C@@H]1CCO[C@H]1C)c1ccc(F)cc1	843288754	GOSRAWOLVUXSRK-ZWKOPEQDSA-N	310.325	1.086	50	20	DDGD	
Cc1cc(O)nc(CNC(=O)[C@@]2(C)C[C@@H]2Br)n1	911863147	JUGJRJKCBONXDX-CPCISQLKSA-N	300.156	1.280	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)C(=O)N2CCCC2)C12CCCCC2	741459885	JAYFVFBMJTVSOU-AWEZNQCLSA-N	321.421	1.840	50	20	DDGD	
CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)[C@H](C)c1ccccc1	746369162	NQQQHBGCACLZNJ-FZMZJTMJSA-N	323.418	1.652	50	20	DDGD	
Cc1cccc2c1sc(=O)n2CC(=O)NNC(=O)C(C)(C)C	842587968	OSBVKRZFIWLKQP-UHFFFAOYSA-N	321.402	1.565	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@@H]1CCc2nncn2C1	846639227	LAFDOXQYEUMNJK-SECBINFHSA-N	305.313	1.132	50	20	DDGD	
CCn1nncc1C=NNC(=O)C12CC3CC(CC(C3)C1)C2	841607811	JOPHLMWYNAZXFP-UHFFFAOYSA-N	301.394	1.965	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)[C@H](C)OCCOC)[C@H]1CC1(C)C	842190746	NUPCURYOQFDHTM-TUAOUCFPSA-N	315.414	1.193	50	20	DDGD	
CCC(N)(CC)CNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	841951306	HDAADIKBCOODRS-UHFFFAOYSA-N	323.353	1.056	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CCN[C@H](C)C2)c1	841988332	SECGRMMZPCNPMZ-ZYHUDNBSSA-N	306.366	1.240	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@H]1CCC[C@H](C(N)=O)C1	846641872	STPLRVKXJUFBRK-UWVGGRQHSA-N	309.341	1.569	50	20	DDGD	
COc1cccc([C@H](C)C(=O)NNc2ccnc(N(C)C)n2)c1	740102647	DVJAZEGUUMUJJW-NSHDSACASA-N	315.377	1.798	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)O)C2(C)C)nn1	848594900	BJSGOWRMKUMSTO-OUAUKWLOSA-N	321.381	1.547	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cnn1C(C)(C)C	843643386	IBYNIYJRYFBKOZ-GHMZBOCLSA-N	308.382	1.133	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@@](O)(CC#N)C1	844016313	UYPIRYGPKXCZTN-AWEZNQCLSA-N	310.785	1.229	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1nccn2ccnc12	746194849	RROHTYKFNZCWIY-UHFFFAOYSA-N	314.257	1.865	50	20	DDGD	
O=C(CCCOc1cccnc1)NNC(=O)CC1CCCC1	743327458	SRBYVKCHFIAVBC-UHFFFAOYSA-N	305.378	1.968	50	20	DDGD	
COCCOC[C@H](C)NC(=O)c1c(C)nn(CCCl)c1C	741962866	FIMHIMLOILTOKP-JTQLQIEISA-N	317.817	1.520	50	20	DDGD	
O=C(NNc1ccccc1OC(F)(F)F)N[C@@H]1CCNC1	841942025	RMHFKDSTGBCYCA-MRVPVSSYSA-N	304.272	1.573	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)N[C@@H]1C[C@H]1c1ccco1	840485523	PSNKGLKGWIHZGW-CHWSQXEVSA-N	317.320	1.848	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)C1	842248888	KKJBBGXAKPTRTI-SECBINFHSA-N	324.312	1.436	50	20	DDGD	
ICCN1CCN(c2ccncc2)CC1	759383087	GNSWDMAMUFVTHE-UHFFFAOYSA-N	317.174	1.639	50	20	DDGD	
CCCNC(=O)Nc1ccc(CC(=O)NNC(=O)C(C)C)cc1	751292904	CNZXPTTUEVTWDH-UHFFFAOYSA-N	320.393	1.564	50	20	DDGD	
C[C@]1(CNC(=O)C2(C#N)CCOCC2)C[C@H]1Br	857398676	TVEHMXLSSQAESL-MWLCHTKSSA-N	301.184	1.596	50	20	DDGD	
CC(C)c1noc(CCC(=O)NNC(=O)OCC(F)(F)F)n1	856025411	RCRUAVKPRPDQIN-UHFFFAOYSA-N	324.259	1.445	50	20	DDGD	
CCOCC(=O)NN=Cc1c(C)nn(C)c1OCC(F)(F)F	756826870	NDTINORILSIWLV-UHFFFAOYSA-N	322.287	1.156	50	20	DDGD	
CCOC(=O)[C@@H](CC(=O)NN(C)C(=O)OC(C)(C)C)C(C)=O	854918576	BHULDUYSPOHPNN-JTQLQIEISA-N	316.354	1.043	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccccc1NC(=O)C(C)(C)C	854925581	IVNJFJCWZRCKAT-UHFFFAOYSA-N	322.434	1.752	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1cccc(-n2cccn2)c1	755934177	XWVVKZPGLGVKFR-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
O=C(NNc1ccncn1)c1cccc(CN2CCOCC2)c1	857520825	PIXHXAWRXYXMJX-UHFFFAOYSA-N	313.361	1.066	50	20	DDGD	
CC(Cc1cccc(F)c1)=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	853388378	FKWFXKPWHYQYSC-CVEARBPZSA-N	319.380	1.724	50	20	DDGD	
C[C@](O)(CCc1ccccc1)C(=O)NNc1ncc(Cl)cn1	857730689	VUNVLMGGLKWKCM-HNNXBMFYSA-N	320.780	1.957	50	20	DDGD	
Cn1cc(-c2ncccc2C(=O)NNC(=O)CC(C)(C)C)cn1	857115588	LZMYHPGZILDJEB-UHFFFAOYSA-N	315.377	1.679	50	20	DDGD	
CC(C)(C)[C@H](NC(=O)NC[C@]1(C)C[C@@H]1Br)C(N)=O	856955052	VEWDADPRSOELOX-SXMVTHIZSA-N	320.231	1.359	50	20	DDGD	
CN1CCCC(=NNC(=O)CNC(=O)c2cccs2)CC1	758117104	OKXMLDBAKCWHIV-UHFFFAOYSA-N	308.407	1.066	50	20	DDGD	
Cc1cc(OCC(=O)NNc2ccccn2)ccc1[N+](=O)[O-]	759606171	UJUFJJVHMJHXRK-UHFFFAOYSA-N	302.290	1.820	50	20	DDGD	
CCCOc1cccnc1C(=O)NNC(=O)Cc1cccnc1	758283930	DKQLIZFJNTWILC-UHFFFAOYSA-N	314.345	1.269	50	20	DDGD	
CC(Cn1cncn1)=NNC(=O)COc1ccc(C)c(C)c1	853265102	FXACWPKDGDNBMH-UHFFFAOYSA-N	301.350	1.466	50	20	DDGD	
C[C@H]1CC(=O)NCCN1C(=O)/C(C#N)=C/c1ccc(F)cc1	752467055	MRICPVQHJIZZMI-GJSJWPQCSA-N	301.321	1.470	50	20	DDGD	
CSSCCNC(=O)NCCN1C[C@@H](C)OC[C@H]1C	854051310	QYHAZRLRCNYMAH-GHMZBOCLSA-N	307.485	1.406	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1cccc(-n2ccnn2)c1	757734907	YMSUBYYSDORFCZ-UHFFFAOYSA-N	314.349	1.610	50	20	DDGD	
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@]1(C)C[C@@H]1Br	856752930	NLQPOJUTUKLAHB-KXUCPTDWSA-N	324.244	1.228	50	20	DDGD	
C[C@H](CC=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1	755620241	FGIXRVQKCSFNAN-TZMCWYRMSA-N	308.403	1.717	50	20	DDGD	
CC(C)C(=O)NN=Cc1cc(O)c(O)c(Br)c1	757564743	YLPPMJIKYBKRGM-UHFFFAOYSA-N	301.140	1.966	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@@H]1Cc2cc(F)ccc2O1)C1CC1	855101520	WQYKTIWYYGXONU-OQPBUACISA-N	323.393	1.423	50	20	DDGD	
COC[C@](C)(O)C(=O)NNc1cc(C(F)(F)F)ccc1F	754147304	IRUFRGGUVCGFQE-NSHDSACASA-N	310.247	1.685	50	20	DDGD	
CN(C)[C@@H]1CCCC(=NNC(=O)CCCNC(=O)C(C)(C)C)C1	853408194	LXMPGSHYOGLUNZ-CQSZACIVSA-N	324.469	1.905	50	20	DDGD	
CS[C@@H](C)CC(=O)NNc1ccccc1S(C)(=O)=O	757096140	PQRFNFSZWOYVIZ-VIFPVBQESA-N	302.421	1.675	50	20	DDGD	
CC(C)(C)[C@H](NC(=O)NC[C@@]1(C)C[C@H]1Br)C(N)=O	856955049	VEWDADPRSOELOX-DNSOKLHBSA-N	320.231	1.359	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=S)N[C@H](C)C2CC2)o1	855097356	OOSWPXWTFUCSKM-MRVPVSSYSA-N	310.423	1.843	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)c1cnc2[nH]nnc2c1	755243711	YPCLJSVULLGTAL-UHFFFAOYSA-N	324.344	1.137	50	20	DDGD	
O=C(NN=Cc1cc(F)ccc1F)C(=O)Nc1ccccn1	758387432	LPSBOLNHMKIQOC-UHFFFAOYSA-N	304.256	1.449	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C[C@](C)(O)C2CC2)c1	755403871	HBYHNXYGNOKOJI-INIZCTEOSA-N	322.361	1.016	50	20	DDGD	
C[C@@H]1CN(C2CC2)CC1=NNC(=O)c1cc([N+](=O)[O-])ccc1O	755892006	PEQQVMHTPPEJHM-SECBINFHSA-N	318.333	1.500	50	20	DDGD	
CCON1CCC(CC(=O)NNC(=O)OC(C)(C)C)CC1	854162599	OUEVDBGJWWLNPV-UHFFFAOYSA-N	301.387	1.596	50	20	DDGD	
COCC(=O)NNC(=O)Nc1nnc(/C=C\c2ccco2)s1	757819304	NDJZXDYAFWHFDI-PLNGDYQASA-N	323.334	1.101	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc(=O)n(-c2cccc(F)c2)c1	751297339	GCOYVRIQKJREMO-UHFFFAOYSA-N	317.320	1.394	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@H](O)c2ccco2)C[C@@H]1Br	856950762	IGTPGSJFGYHBDG-PTOFAABTSA-N	317.183	1.786	50	20	DDGD	
Cc1ccc(NNC(=O)NCCCNC(=O)C(C)C)cc1F	853910761	MHUDLICRVPZSOF-UHFFFAOYSA-N	310.373	1.923	50	20	DDGD	
Cc1ccccc1C[C@@H](C)C(=O)NNC(=O)[C@@H]1CCCCO1	861854698	ZZMMMTGANJLKER-HIFRSBDPSA-N	304.390	1.890	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=Cc1cccc(C(F)(F)F)c1	863189061	XIWGHXFUPBQPDZ-UHFFFAOYSA-N	308.281	1.200	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C2(c3ccccc3F)CC2)n[nH]1	869013456	ARZDSNAAKKXGAC-UHFFFAOYSA-N	316.336	1.279	50	20	DDGD	
CC[C@H]1CO[C@@H](C)CN1CC(=O)NNC(=O)c1cccs1	762543451	GXWQKGXSEDAJED-QWRGUYRKSA-N	311.407	1.008	50	20	DDGD	
CCC[C@@H](C)N1C[C@H](C(=O)NN=c2cc[nH]c(C)c2)CC1=O	862510793	TXJCYDOUCRAPDR-CHWSQXEVSA-N	304.394	1.292	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNc2nc(-c3cccnc3)no2)CCC1=O	764127202	RMQZPUFZZRCTMF-ZJUUUORDSA-N	315.333	1.580	50	20	DDGD	
Cc1cccc2c1[C@@H](C)CC2=NNC(=O)[C@H](C)NS(C)(=O)=O	766706269	QWPZTKOKCFKWPQ-QWRGUYRKSA-N	323.418	1.260	50	20	DDGD	
O=C(CCc1cccc(C(F)(F)F)c1)N1CC[C@H](B(O)O)C1	864230978	HTCFAKPZGNCCHF-LBPRGKRZSA-N	315.100	1.713	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(N(C)C(=O)C2CC2)cc1	932612662	SXBRDTZFCXHIHP-UHFFFAOYSA-N	320.349	1.842	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=C1CC[C@H]1c1ccccc1	769789987	JRIPQINBYVNYCB-LBPRGKRZSA-N	312.329	1.480	50	20	DDGD	
Cc1nc([C@@H]2CCOC2)sc1C(=O)NNC(=O)CC(C)C	864725154	ZDXKSGDAXUNKML-SNVBAGLBSA-N	311.407	1.763	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CNc1ccc(C#N)cc1	863947437	KELAMVXREJPXDE-UHFFFAOYSA-N	305.407	1.264	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCC[C@H]1C(F)(F)F)c1cn[nH]c1	869385629	PCQDPHAVCSLUPI-DTWKUNHWSA-N	304.272	1.539	50	20	DDGD	
O=C(NNc1nccc2sccc12)[C@H]1CN2CCCN1CC2	764271069	HQDZXXYYACBZEH-GFCCVEGCSA-N	317.418	1.129	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]21	762580433	KZCZAVTYXFOFGU-UTLUCORTSA-N	317.480	1.743	50	20	DDGD	
CC(C)(C(=O)NNC(=O)C1SCCS1)c1ccccc1	761158950	OGWNZXBINIYECH-UHFFFAOYSA-N	310.444	1.918	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1CCN(C(C)=O)c2ccccc21	875428572	MMXGFTMTQHLHRQ-GFCCVEGCSA-N	320.349	1.397	50	20	DDGD	
CC(C)NC(=O)CCCC(=O)NNC(=S)Nc1ccccn1	874955913	DELIDYRXLHWOME-UHFFFAOYSA-N	323.422	1.094	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2ncc(F)cn2)c1Br	760921415	YYWAPGAUAIXCNX-UHFFFAOYSA-N	315.106	1.167	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H]2c3c[nH]nc3CC[C@@H]2C)n1	878968735	ZVQYOHAZUMMVGW-CPFSXVBKSA-N	320.784	1.971	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)/C=C/CCc1ccccc1	870033692	RJYGARNVBRUEIQ-RPHSKFLZSA-N	318.373	1.665	50	20	DDGD	
CCC[C@@H]1C[C@@H](C(=O)O[C@@H](C)C(=O)NNC(=O)CC)CCO1	772254527	IYLONGSSRWMXMJ-SDDRHHMPSA-N	314.382	1.071	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc(OC(F)F)cn1	771882165	MTZKICCYDHTYRG-UHFFFAOYSA-N	310.260	1.096	50	20	DDGD	
Cc1cc(=NNC(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)cc[nH]1	875073621	MRMPNPODKAEAEM-OKILXGFUSA-N	319.453	1.806	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)C2CCN(c3ncccn3)CC2)CCO1	773207738	MQXSBPBYGBIZNL-GFCCVEGCSA-N	317.393	1.364	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C\CCc1ccccc1	870033691	RJYGARNVBRUEIQ-LLBKUYECSA-N	318.373	1.665	50	20	DDGD	
CC(C)CCn1nccc1NC(=O)NNC(=O)c1cccn1C	779470942	KQGFZZRCWRQGNA-UHFFFAOYSA-N	318.381	1.734	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1csc(Br)n1	874455645	NFFZVCLSZDOBFB-UHFFFAOYSA-N	304.169	1.467	50	20	DDGD	
COc1cccc([C@@H](C)N[C@@H](C)C(=O)NNC(=O)CC(C)C)c1	774856000	OKVFNZWKPZLEFB-OLZOCXBDSA-N	321.421	1.928	50	20	DDGD	
CC[C@@H](CO)C(=O)NNC(=O)c1ccc(Br)s1	779724107	DJUMATNNNWWBTL-LURJTMIESA-N	321.196	1.290	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1	878772644	AWVQZXTYMVXCBX-ZDUSSCGKSA-N	322.409	1.526	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)[C@H]1C[C@H]1c1cccc(F)c1	882677807	CHINUHPHKCLQPZ-XDTLVQLUSA-N	314.382	1.678	50	20	DDGD	
Cc1cnccc1C(=O)NNC(=O)COc1ccc(F)cc1	770209873	VVCYBBJJJDIBNW-UHFFFAOYSA-N	303.293	1.369	50	20	DDGD	
NC(=O)NN=Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1	777418637	OARSADIOULYFMF-UHFFFAOYSA-N	311.267	1.952	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCO[C@@H]2COCC[C@@H]21	888779318	DUTFJYPEDUTDCE-HBNTYKKESA-N	320.227	1.812	50	20	DDGD	
C[C@H]1COCC1=NNC(=O)CSc1nc2ccccc2n1C	884435839	LWBAONUVKHZYNW-JTQLQIEISA-N	318.402	1.804	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@H]1CCOC2(CCC2)C1	888868947	SIYPQNOZNUHFHE-ZDUSSCGKSA-N	320.364	1.865	50	20	DDGD	
C[C@H]1CC[C@H](NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	780789248	MSFHNBRSSGWFNW-ONGXEEELSA-N	306.322	1.727	50	20	DDGD	
COC(=O)COc1ccc(C=NNC(=O)c2ccc[nH]2)cc1	782225358	LUAOIHSYDBLJSD-UHFFFAOYSA-N	301.302	1.330	50	20	DDGD	
O=S(=O)(CCCCCl)NC[C@@H](O)CCc1ccccc1	780838085	XQJRLFQJZSNHQH-AWEZNQCLSA-N	319.854	1.919	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNC(=O)C2CCOCC2)s1	883059790	LSEYCTALZJLGIN-UHFFFAOYSA-N	324.402	1.593	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccccc1O)[C@@H]1CCCOC1	780860759	GPEUZKQSXGJFQH-GHMZBOCLSA-N	307.350	1.151	50	20	DDGD	
O=C(Cc1ccc2c(c1)COC2)NNc1ncncc1Cl	781824396	QMFCUEVGRVGAKY-UHFFFAOYSA-N	304.737	1.846	50	20	DDGD	
Cn1ncc(Cl)c1C=NNC(=O)COCc1ccccc1	780227721	PXRPCHLYOCQWOK-UHFFFAOYSA-N	306.753	1.740	50	20	DDGD	
O=C(NNC(=O)c1c[nH]nc1-c1ccsc1)c1ccccn1	780146394	UKMIWNVGRBGYLA-UHFFFAOYSA-N	313.342	1.608	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)Cc2cccnc2)CC(C)(C)C1	784290852	QJXMGDCZOPDFKW-GFCCVEGCSA-N	304.394	1.733	50	20	DDGD	
CC(=O)N(c1nc(C=NNC(=O)C(F)F)cs1)C1CC1	782236009	NWIGBEGKUVXSTE-UHFFFAOYSA-N	302.306	1.374	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)n1	895829458	RTDPTGDYPQGVRR-GFCCVEGCSA-N	324.340	1.490	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@@H]1CN1CCC[C@@](O)(C(=O)N2CCCC2)C1	894367166	PYQHKDWJBKZACC-XFMPKHEZSA-N	300.830	1.309	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnn(CCC(C)C)c1CC	798305273	MNGADNSNHBZLTO-UHFFFAOYSA-N	323.466	1.787	50	20	DDGD	
Cn1cc2c(n1)CCCC2=NNC(=O)CCN1CCCCCC1	794486595	SSEWWKNUCIKUAM-UHFFFAOYSA-N	317.437	1.843	50	20	DDGD	
Cc1noc([C@@H]2CCCN2S(=O)(=O)CCCCCl)n1	796254810	LELMATMPXYXXRO-JTQLQIEISA-N	307.803	1.864	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C(=O)Nc2cccc(F)n2)c1	793054178	BZWCDKUCNAHNFJ-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)Nc2cncc(F)c2)c1	799235254	BNDHQLBUPDKNHG-UHFFFAOYSA-N	324.337	1.773	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C[C@H]1CCCOC1	792798965	UUWXGMCZKXZMSZ-GFCCVEGCSA-N	322.361	1.038	50	20	DDGD	
COc1ccccc1CC(=O)NN=C(C)c1cc(C)n(C)n1	799875990	IGIHVGAKCGMHFB-UHFFFAOYSA-N	300.362	1.820	50	20	DDGD	
CNC(=O)NNC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1	1319831712	HMJYVORPPQEPCJ-UHFFFAOYSA-N	300.240	1.761	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)c1cncn1-c1ccccc1	1318425513	LSPKJPBWWRNJKP-UHFFFAOYSA-N	320.374	1.023	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1Cl)N1CC[C@@H](B(O)O)C1	585071140	NHQOBTGJQFFBBV-SECBINFHSA-N	301.966	1.611	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1nc2c(s1)C[C@H](C)CC2	1320106818	AXQPURKDADCARS-MRVPVSSYSA-N	312.395	1.457	50	20	DDGD	
Cc1cc(C)c(NC(=O)NNC(=O)C2CCNCC2)c(C)c1	1328676231	APFIAQKACMFKPQ-UHFFFAOYSA-N	304.394	1.764	50	20	DDGD	
CC(C)(C)OC(=O)CCCC(=O)NNC(=O)c1ccccc1	1326318200	OQMTWTLAXDRHOD-UHFFFAOYSA-N	306.362	1.960	50	20	DDGD	
Cc1cc(C(=O)NNc2nncc(N)c2Cl)cc([N+](=O)[O-])c1	1322657199	ZLRZGPNPPLOUEH-UHFFFAOYSA-N	322.712	1.686	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2snnc2C2CC2)cc1	1323907657	NVXYRXQBDFEHDT-UHFFFAOYSA-N	318.358	1.499	50	20	DDGD	
Cn1ccc(NNC(=O)CC[C@@H]2Cc3ccccc3NC2=O)n1	1339437230	FCXHNBLBYGCFID-GFCCVEGCSA-N	313.361	1.454	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)Nc2ccccn2)C[C@H]1Br	1337411619	AZFYDDFEDCEFEK-PELKAZGASA-N	312.167	1.310	50	20	DDGD	
O=C(NN=C1CC(C(=O)O)(c2ccccc2)C1)C1CCOCC1	1333654021	JUBRCCQVFAMWFD-UHFFFAOYSA-N	316.357	1.702	50	20	DDGD	
O=C(NN=CC[C@@H]1CCCCC12OCCO2)c1cccnn1	1330890543	NGINLJYHTROOGN-LBPRGKRZSA-N	304.350	1.516	50	20	DDGD	
CCN(CC)CC[C@H](C)NC(=O)NNC(=O)[C@H]1CCCCO1	1263305280	UZIJPZGFHJPBFS-QWHCGFSZSA-N	314.430	1.006	50	20	DDGD	
C[C@H]1CCSCCN1CC(=O)NNC(=O)c1cccs1	794570777	OYZXCWNDSVNAKY-JTQLQIEISA-N	313.448	1.337	50	20	DDGD	
Cc1cccc(C)c1CN(C)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	1340401774	UQNAUNINXYWMCA-ZIAGYGMSSA-N	319.405	1.901	50	20	DDGD	
C[C@H]1CCc2nc(C=NNC(=O)Cc3cc[nH]n3)sc2C1	1347634626	UYTRKVXATNQFON-VIFPVBQESA-N	303.391	1.684	50	20	DDGD	
CN1CCN(c2ccccc2CNS(=O)(=O)CCl)CC1	1260936113	QMAZDAXZNXGRTP-UHFFFAOYSA-N	317.842	1.054	50	20	DDGD	
CSc1ccncc1NC(=O)C(=O)NNc1ccccn1	1342244764	MFCDHZQWLKDOBQ-UHFFFAOYSA-N	303.347	1.280	50	20	DDGD	
Cn1nncc1CNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	1514922026	XDDWZCHDCWFFAF-PTOFAABTSA-N	313.199	1.385	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccccc1-n1ccc(C2CC2)n1	1519043093	ZGAGGHOAEUTQMI-UHFFFAOYSA-N	313.361	1.714	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H](C(=O)NNc2ccc(F)c(Cl)c2)O1	1602177075	FQZZEZMZVDBLSS-ZJUUUORDSA-N	302.689	1.554	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H](C)C[S@@](C)=O)cccc1C(=O)O	1600050186	BIKBSVYOARALKB-HXNGOWOSSA-N	313.379	1.086	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)NNc1ccc(CC(=O)O)cc1	1603020911	RSIONDTVHPZTRO-AWEZNQCLSA-N	319.361	1.158	50	20	DDGD	
CC(=NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)c1ncc(C(=O)O)s1	1602987204	JAHGNAGGRFZVPO-HRDYMLBCSA-N	309.347	1.249	50	20	DDGD	
CCCCCNC(=O)/C(C#N)=C/c1cccc(-c2nn[nH]n2)n1	1604180050	JAFMRLGYRMJOGJ-PKNBQFBNSA-N	311.349	1.475	50	20	DDGD	
Cn1c(C#N)ccc1C(=O)NNc1cccc(C(=O)O)c1F	1608080636	LXMNBDNXIMAFIU-UHFFFAOYSA-N	302.265	1.491	50	20	DDGD	
NC[C@H]1CCCC[C@H]1NC(=O)NNc1ccc(F)c(C(=O)O)c1	1608254497	AEHASZZUVCZIOM-NOZJJQNGSA-N	324.356	1.668	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)O)CCCCCC1)c1cccc(F)n1	1605814751	RBRFBRNZRSPIRO-UHFFFAOYSA-N	323.324	1.407	50	20	DDGD	
COc1ncc(/C=C\C(=O)NNc2ccccc2C(=O)O)cn1	1607359872	RYOVNGQKCHSMGV-SREVYHEPSA-N	314.301	1.340	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNc2cccc(F)c2C(=O)O)n1	1607891307	DJEFOSGRYTWCDF-VIFPVBQESA-N	320.324	1.808	50	20	DDGD	
O=C(COC[C@H]1CCCO1)NNc1ccc(C(=O)O)cc1F	1610669726	ZPUNZUSWVXZALC-SNVBAGLBSA-N	312.297	1.163	50	20	DDGD	
O=C(NN=C[C@@H]1CCc2ccccc21)[C@H]1CN2CCC[C@@H]2CO1	1549314985	AKCOIXVCRGXHSF-ZMSDIMECSA-N	313.401	1.682	50	20	DDGD	
O=C(NN=Cc1cccc2cnccc12)[C@@H]1CN2CCC[C@H]2CO1	1549322553	ZYMDOWREACBUSW-RDJZCZTQSA-N	324.384	1.548	50	20	DDGD	
O=C(NN=C1CCOc2ccccc21)[C@H]1CN2CCC[C@H]2CO1	1549315507	NSWZMFOZIAEJDZ-BLLLJJGKSA-N	315.373	1.153	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@H]2CCCO[C@@H]2c2nccn2C)CN1C	1549309415	IHMXNIDMBFWNMO-XBFCOCLRSA-N	319.409	1.084	50	20	DDGD	
Cc1cccc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)c1F	1549314337	KLTSJGUZUBSGNI-ZIAGYGMSSA-N	305.353	1.447	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@H]1C=NNC(=O)c1cc(C)[nH]n1	1552761449	VCYASKYKWDQKDD-AAEUAGOBSA-N	316.365	1.428	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@@H]1C=NNC(=O)c1cnccn1	1552757353	CXFKJHKZDJYFAW-DGCLKSJQSA-N	314.349	1.186	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H](N)C(C)(C)C	1573589893	KLCHTQXUOQLQLQ-CABZTGNLSA-N	311.357	1.114	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@H]1CCCS1)[C@H](N)c1ccccc1	1575092599	PULDIAINKOXLKB-QWHCGFSZSA-N	321.446	1.756	50	20	DDGD	
C[C@@H]1Cn2nc(C(=O)NN=c3cc[nH]c4ccccc34)cc2CN1	1576871159	MCENVWQUYPOKSP-LLVKDONJSA-N	322.372	1.102	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H](C)C2CNC2)c(C)c1	1579723047	WCJVUQPWCBMWFI-NSHDSACASA-N	306.435	1.477	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@H]1CCC[C@H](C(=O)O)C1	1589831614	COMQSSTXLKRSQA-BDAKNGLRSA-N	301.412	1.171	50	20	DDGD	
O=C(NNc1cccc(F)c1Cl)[C@]1(F)CNCC12COC2	1580740104	WJVMCWGTYNLAFX-CYBMUJFWSA-N	317.723	1.250	50	20	DDGD	
N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)NNC(=O)c1c[nH]c2ccccc12	1580412378	ZDWKJEFIPPMRJK-MISXLKTNSA-N	312.373	1.302	50	20	DDGD	
O=C(NNc1ccc(Br)nc1)C1=CCCNCC1	1580737145	LUNVOCIUZJFWJS-UHFFFAOYSA-N	311.183	1.597	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)[C@@H]2CCC=CO2)C1	1844245530	WHOMNULSVVFQEM-WDEREUQCSA-N	316.760	1.417	50	20	DDGD	
O=C(c1ccno1)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846387192	RTUDJXQYVSDPFS-UHFFFAOYSA-N	318.160	1.295	50	20	DDGD	
CC(CCCCNC(=O)OC(C)(C)C)=NNC(=O)C(=O)O	1592485927	YORQAUAJVOGWAL-UHFFFAOYSA-N	301.343	1.258	50	20	DDGD	
CCC[C@@H](CNC(=O)NNc1cccc(-c2nn[nH]n2)c1)OC	1590557048	GONKSKJTDAVDPR-LBPRGKRZSA-N	319.369	1.308	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCC[C@H](CCCC(=O)O)C1	1598864806	PLLISNRKSJOERN-SNVBAGLBSA-N	313.354	1.260	50	20	DDGD	
O=C(O)CCCC(=O)NNc1ccnc(Br)c1	1595027748	JDYALDJAEKWPLB-UHFFFAOYSA-N	302.128	1.542	50	20	DDGD	
C[C@@H](CBr)COC(=O)c1ccnc(C(=O)O)c1	1592212063	OVBCHYVSUVXGGA-ZETCQYMHSA-N	302.124	1.968	50	20	DDGD	
C[C@]1(C(=O)N[C@H]2CC[C@@H](CC(=O)O)C2)C[C@H]1Br	1593758550	QLTCTGWCGWJJSD-SREGZZRCSA-N	304.184	1.920	50	20	DDGD	
O=C(O)CCc1ccc(C=NNC(=O)Cc2ccccc2O)o1	1776094303	LWVLXWUQUMPUAS-UHFFFAOYSA-N	316.313	1.695	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2cc1O)c1cnccn1	11529247	AAIPMSZZIQBBER-UHFFFAOYSA-N	308.297	1.410	50	20	DDGD	
O=C(CCNC(=O)c1ccco1)NNc1ccc([N+](=O)[O-])cc1	150872040	JMVYJNLPWVBCPU-UHFFFAOYSA-N	318.289	1.451	50	20	DDGD	
Cc1ccc(C[C@H](C)NC(=O)NNC(=O)[C@@H]2CCCO2)s1	162145685	MROKYGJZYPLFTO-CABZTGNLSA-N	311.407	1.497	50	20	DDGD	
C[C@H](C(=O)NNc1ncnc2nc[nH]c12)c1c(F)cccc1F	162274062	KKOXEVYOWKYJCZ-ZETCQYMHSA-N	318.287	1.878	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=O)c1cnn(C)c1	162475684	HWBFWSCONCWICG-UHFFFAOYSA-N	318.293	1.103	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)CCC(=O)N1CCOCC1	160728416	DDBAJSGJNKNKAM-UHFFFAOYSA-N	309.341	1.216	50	20	DDGD	
O=C(NCc1ccc(O)c(F)c1)NNC(=O)c1ccccc1	163764406	HCQKHFCHZJLSOF-UHFFFAOYSA-N	303.293	1.676	50	20	DDGD	
CCS(=O)(=O)CC(=O)NNc1ccccc1Br	153471045	GEFPHAPHDRZCGK-UHFFFAOYSA-N	321.196	1.327	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1[nH]c(C)cc1C	157189209	UGFRTLFXWKKHPM-UHFFFAOYSA-N	317.345	1.480	50	20	DDGD	
CC(C)(C)S(=O)(=O)CC(=O)NNc1cc(F)c(F)c(F)c1	159487136	MBMKOBBDYAHFJM-UHFFFAOYSA-N	324.324	1.760	50	20	DDGD	
CN(C)N(C(=O)[C@@H]1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1	179371028	ZJOKBNBRKAXEJV-CHWSQXEVSA-N	316.467	1.695	50	20	DDGD	
CC(C)(C)[C@@H](NCC(=O)NNC(=O)C1CC1)c1ccccc1	112977465	NYXIQFJEMFHBTH-HNNXBMFYSA-N	303.406	1.921	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNC(=O)Cc2cccnc2)cn1	103456715	VWZYLFZSPXYAON-UHFFFAOYSA-N	301.350	1.037	50	20	DDGD	
CC(C)S(=O)(=O)CC(=O)NNc1ccnc2ccccc12	106924289	DXLCJFFWIXYJPH-UHFFFAOYSA-N	307.375	1.501	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H]1C1CC1)c1cc(-c2ccccc2)n[nH]1	175857506	XQMFBAFDWSMTHN-OLZOCXBDSA-N	310.357	1.884	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C1=Cc2ccccc2OC1	67430758	OPLUNUPYKPBKAC-UHFFFAOYSA-N	324.336	1.932	50	20	DDGD	
Cc1nn(C)c(C)c1CC(=O)NNC(=O)c1cccc(Cl)c1	10042770	ZHMIQIPKPMBZGQ-UHFFFAOYSA-N	320.780	1.694	50	20	DDGD	
CS[C@H](C)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	112824178	PSKBWFTZWMSIQG-SNVBAGLBSA-N	304.375	1.385	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)c2ccccc2O)nn1C	175280314	NIGMOMCFQUOCSA-UHFFFAOYSA-N	302.334	1.324	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1ccc(C)o1	69157975	HXQOTDVEVNPDKM-UHFFFAOYSA-N	302.330	1.990	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(Cn2cccn2)cc1	64426755	UWKJYTSGTOSORH-UHFFFAOYSA-N	315.377	1.676	50	20	DDGD	
C[C@H]1Cc2ccccc2CN1C(=O)NNC(=O)Cc1cccnc1	176394817	AWGGNNFSTRPKQV-ZDUSSCGKSA-N	324.384	1.812	50	20	DDGD	
N#Cc1cccc(NC(=O)C(=O)NNc2c(F)cccc2F)c1	119874737	FBRPFPCBTQJFCQ-UHFFFAOYSA-N	316.267	1.918	50	20	DDGD	
CN(C)N(C(=O)c1coc2ccccc12)[C@H]1CCS(=O)(=O)C1	113016896	HZYPUKMVLFKCNQ-NSHDSACASA-N	322.386	1.539	50	20	DDGD	
CO[C@]1(C)C[C@H](NC(=O)NNc2ccc(Cl)nn2)C1(C)C	173723663	RFUSYHKOHHSINZ-ISVAXAHUSA-N	313.789	1.960	50	20	DDGD	
CCCCNC(=O)NNC(=O)CSc1cccc(OC)c1	64425176	DYHWJWIZMKUUOS-UHFFFAOYSA-N	311.407	1.918	50	20	DDGD	
CC[C@@H](C)NC(=O)CCNC(=O)NNc1c(F)cccc1F	172472666	YQDOYJVYOUHONA-SECBINFHSA-N	314.336	1.896	50	20	DDGD	
COc1ccc(OCC(=O)NNc2cc(C)nc(C)n2)cc1	128677877	XVHQKQNIBGZSAD-UHFFFAOYSA-N	302.334	1.624	50	20	DDGD	
Cc1c(F)cccc1NC(=O)NNC(=O)Cc1cccnc1	186330565	NCWJRLCPDJEEAO-UHFFFAOYSA-N	302.309	1.925	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NC(C2CC2)C2CC2)c1	122104705	MYGGBBFUQAFENN-UHFFFAOYSA-N	316.405	1.885	50	20	DDGD	
CC(C)c1nc(C(=O)NN(C)C(N)=O)nn1-c1cccc(F)c1	182640532	AMAKVILHJHMWOJ-UHFFFAOYSA-N	320.328	1.185	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1COc2ccccc2O1	302857827	QTPMVUHLXQLDDO-UUIJZJDISA-N	316.357	1.410	50	20	DDGD	
Cc1ccnc(O)c1C(=O)NNC(=O)c1cccc(N(C)C)c1	183560468	JSMVNUHPKTVBAV-UHFFFAOYSA-N	314.345	1.236	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1csc(-c2cnccn2)n1	182539192	GMQHLVUVPSLTTD-UHFFFAOYSA-N	316.321	1.891	50	20	DDGD	
CCc1ccsc1C(=O)NNC(=O)C(=O)NC(CC)CC	77163679	ZVYXIPZHNNWZCJ-UHFFFAOYSA-N	311.407	1.376	50	20	DDGD	
Cc1ccc(Cl)cc1NC(=O)C(=O)NNc1ncccn1	120068524	XNMHVDLAHGXYSD-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
CN(NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C(N)=O	181066766	LCAWZQUDCDJPSO-LBPRGKRZSA-N	308.357	1.079	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@H]1CC(=O)N(C2CC2)C1	185513786	DUALAUWGWHMEMC-JTQLQIEISA-N	306.341	1.524	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](C)c1cccs1	77164096	CFJYIWZLBYPONV-SECBINFHSA-N	311.407	1.304	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1CCc2ccsc2C1	134114667	ZSXQRVMMSHPROE-UHFFFAOYSA-N	316.386	1.485	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C(=O)NC1CC1)c1ccccc1Cl	43182657	QKLRJRXBNXDJRM-QMMMGPOBSA-N	324.768	1.010	50	20	DDGD	
O=C(NNc1ccc(F)cc1)[C@H]1CC[C@H](C(F)(F)F)NC1=O	192784620	YDRHTYFBCGVNSX-VHSXEESVSA-N	319.258	1.726	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNC(=O)COc1cccc(C)c1	92208898	JMPNZMARXVJDSK-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2ccc(O)cc2O)c1	254873873	SNEKDEROPVENOW-UHFFFAOYSA-N	300.314	1.935	50	20	DDGD	
O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1ccccc1	254632944	YVZUJMIQBHOOAE-UHFFFAOYSA-N	306.329	1.490	50	20	DDGD	
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)C1CCC1	264792343	RYEGTINWFJSFCH-UHFFFAOYSA-N	306.322	1.222	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1	269498219	VYAIKKPZKJGFTK-RVROTUBLSA-N	323.393	1.898	50	20	DDGD	
CN(C)N(C(=O)c1cc2ccccn2c1)[C@H]1CCS(=O)(=O)C1	265092452	NWNWOKWGFYDPRK-AWEZNQCLSA-N	321.402	1.045	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)NOCC)cc1OC	264132994	PJLAEQVFIQGQAG-UHFFFAOYSA-N	311.338	1.380	50	20	DDGD	
O=S(=O)(c1ccc(CCCCl)cc1)N1CC[C@@H](O)C1	269788557	MHZMGKMDGJBGGG-GFCCVEGCSA-N	303.811	1.613	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(O[C@@H]2CCOC2)cc1	278653491	CQIVBUBZYBNESK-CYBMUJFWSA-N	321.402	1.149	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@@H](F)C(F)(F)F)cc1	278552363	HDQLASJXIOPDBP-SNVBAGLBSA-N	323.246	1.155	50	20	DDGD	
C[C@](O)(CC(=O)NNC(=O)c1cc2ccccc2o1)C1CC1	270140557	GCDAEDGTFJLOKB-INIZCTEOSA-N	302.330	1.745	50	20	DDGD	
Cn1cc(-c2cncc(C(=O)NNc3ccnc(F)c3)c2)cn1	367966587	ZYJOLSQCSANAPO-UHFFFAOYSA-N	312.308	1.773	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1ccc(C(C)(C)C)s1	275475816	MOYUYSMTMJZMOB-UHFFFAOYSA-N	319.452	1.900	50	20	DDGD	
CCCc1nc(C(=O)NNC(=O)COc2ccccc2O)co1	273572469	GEXCSWJAJZPKQP-UHFFFAOYSA-N	319.317	1.173	50	20	DDGD	
CC(C)C[C@@H](CO)NC(=O)NNC(=O)C(C)(C)c1ccccc1	272460719	RSPNLHIGUHZSKD-AWEZNQCLSA-N	321.421	1.702	50	20	DDGD	
COc1ccc(CCCC(=O)NNC(=O)N(C)C)c(OC)c1	270058825	WPBXGHWHHNXYCZ-UHFFFAOYSA-N	309.366	1.329	50	20	DDGD	
O=C(NNC(=O)N1CC[C@@H]([C@H]2CCOC2)C1)c1ccccc1	370999871	SWSIOCSGDGTGGA-KGLIPLIRSA-N	303.362	1.399	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccnc1OCC(F)(F)F	271242546	AUCBWINVNOZYGN-UHFFFAOYSA-N	320.271	1.329	50	20	DDGD	
COC(=O)N(C)NC(=O)CCC(=O)c1ccc(OC)c(F)c1	286325658	LFUAOJFUSGBQCX-UHFFFAOYSA-N	312.297	1.527	50	20	DDGD	
CNS(=O)(=O)c1ccc(C(=O)NCC(Cl)Cl)cc1	288320281	UPUYUYAWQAPRPJ-UHFFFAOYSA-N	311.190	1.128	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@](C)(O)C2CC2)c(Cl)c1	287588294	DYPCOWBYPMBNDA-AWEZNQCLSA-N	311.769	1.962	50	20	DDGD	
O=C(NNC(=O)[C@@H]1Cc2cc(F)ccc2O1)Nc1ccccc1	374813723	HFIXMZCEZFDGMO-AWEZNQCLSA-N	315.304	1.982	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ccc2c(O)nccc2c1)N(C)C	285759769	QYDIXCJJFOAGPI-AWEZNQCLSA-N	302.378	1.970	50	20	DDGD	
Cc1cccc2cc(C(=O)NNC(=O)N3CCN(C)CC3)oc12	287784227	LBUXVAAMINPFHP-UHFFFAOYSA-N	316.361	1.343	50	20	DDGD	
C[C@H]1C[C@@H](N2CCOCC2)CN1S(=O)(=O)CCCCCl	375632725	WLBYVAVNWUBYMO-QWHCGFSZSA-N	324.874	1.130	50	20	DDGD	
COCCN(C)NC(=O)c1cccc(Oc2cnccn2)c1	288545089	YFOZVYZODURBDI-UHFFFAOYSA-N	302.334	1.492	50	20	DDGD	
C[C@@H](CN(C)C)NC(=O)NNC(=O)C(C)(C)c1ccccc1	287982733	JXZQMJOBBADIET-LBPRGKRZSA-N	306.410	1.245	50	20	DDGD	
CC[C@H](C(=O)NNc1ccc(-n2ccnc2)nn1)N(CC)CC	286783184	XJHSYFMMPBYIBF-GFCCVEGCSA-N	317.397	1.226	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12	808248800	SICPEUZQITYJTG-HQJQHLMTSA-N	311.234	1.703	50	20	DDGD	
CSc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2CCCO2)cc1	292116308	JOAKJKUKLMWFAT-MFKMUULPSA-N	324.402	1.502	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)CC(C)C)Cc1ccccc1	297070469	YXUOSWXYDCHOKP-AWEZNQCLSA-N	307.394	1.621	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1[N+](=O)[O-]	292062480	CRWDSFAAGUQYQU-LBPRGKRZSA-N	307.306	1.097	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@@H]1CCN(CC(F)(F)F)C1	804773099	RNQWFBLQXBLVLK-MRVPVSSYSA-N	306.263	1.548	50	20	DDGD	
Cn1nncc1NS(=O)(=O)c1ccc(CCCl)cc1	808565448	ZQGOJQFFFWAJHI-UHFFFAOYSA-N	300.771	1.397	50	20	DDGD	
CCCCCOCC(=O)NNC(=O)COc1ccccc1F	299397185	VPMXLERKGOOQQH-UHFFFAOYSA-N	312.341	1.559	50	20	DDGD	
Cc1c(NNC(=O)c2cnn(CCF)c2)cccc1[N+](=O)[O-]	807120393	CYIJSDJJOVBKLY-UHFFFAOYSA-N	307.285	1.826	50	20	DDGD	
CSc1cccc(NC(=O)NNC(=O)CC(F)(F)F)n1	806783577	NPHZIYHPEPWMPR-UHFFFAOYSA-N	308.285	1.909	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1cccc2c1COC2=O	808909205	RUSGMFPMAAHEQF-UHFFFAOYSA-N	311.297	1.824	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CSc1nnnn1C1CC1	808248517	MSGDHKMHWGAFBT-UHFFFAOYSA-N	310.210	1.362	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](C)OCc1ccc(F)cc1	295013187	STZWOHMDUDFVCZ-JTQLQIEISA-N	320.324	1.673	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@@H]1CCCC(F)(F)C1	800326671	GGNHKQOVFGGPRD-ZCFIWIBFSA-N	303.231	1.705	50	20	DDGD	
O=C(NC[C@H]1CCC2(CCCCC2)O1)NNc1ccncn1	296774350	IQNHMWMVVZOUBC-GFCCVEGCSA-N	305.382	1.985	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cn(C)nc1C(C)C	298892561	YEPXTHZQKVVDKV-UHFFFAOYSA-N	300.362	1.927	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H](C)Cc1cnc2ccccc2n1	293413074	ZCWLEGJANCVSQD-NSHDSACASA-N	315.377	1.547	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)[C@H]1CCCC12OCCO2	807174377	ZSKFAWLRLLABSB-SNVBAGLBSA-N	302.334	1.549	50	20	DDGD	
O=Cc1c[nH]c(C(=O)NNC(=O)NCCc2cccs2)c1	815115495	SXALBMKKBJEPLN-UHFFFAOYSA-N	306.347	1.075	50	20	DDGD	
C[C@@H]1CCN[C@H](C(=O)NNc2nc(-c3ccccc3)no2)C1	817933673	NQZQMFSOGPGCHZ-PWSUYJOCSA-N	301.350	1.568	50	20	DDGD	
COc1ccc(-c2[nH]ncc2C=NNC(=O)Cc2cc[nH]n2)cc1	814955807	YRJQTVMLGDQGKD-UHFFFAOYSA-N	324.344	1.501	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NN=Cc2cnn(C)n2)c1	814991565	ODKBOJKIONZAOH-UHFFFAOYSA-N	308.729	1.633	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ncc(C#N)cc2C)cc1	814734538	FKQOLNNSTWSPGD-UHFFFAOYSA-N	308.341	1.899	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)C[C@H]1CCCN1C	817491948	UXEYQLLAOOBRDB-CYBMUJFWSA-N	312.845	1.905	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCCO[C@@H](CN)C1	818012541	NXRPMMHVQHRQCD-VHSXEESVSA-N	307.232	1.372	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@](C)(O)C2CCC2)c1	813365875	GZWXHGJOVMCZLI-QGZVFWFLSA-N	320.389	1.381	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1ccccc1-n1ccnn1	814956058	ITEYHDHSRUABNP-UHFFFAOYSA-N	309.333	1.073	50	20	DDGD	
CC(C)OCCONC(=O)NNC(=O)c1cc2ccccc2o1	812892756	UDNZKJFAIIOYEI-UHFFFAOYSA-N	321.333	1.733	50	20	DDGD	
COc1ccc2c(c1)C=C(C(=O)NNc1ncncc1F)CO2	817078970	BZRKWDITHUKMJD-UHFFFAOYSA-N	316.292	1.543	50	20	DDGD	
CCCCn1cc(CNC(=O)NNc2ncncc2F)c(C)n1	814316463	CCAKEOPXDCNANK-UHFFFAOYSA-N	321.360	1.747	50	20	DDGD	
N#CCCCOc1cccc(C=NNC(=O)C(=O)NC2CC2)c1	726737705	XAYCYQVLBJCGGY-UHFFFAOYSA-N	314.345	1.098	50	20	DDGD	
Cc1ccc(O)cc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	816809515	ZWHLPTLUPPKWGY-UHFFFAOYSA-N	315.285	1.684	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCOC1)c1cncn1-c1ccccc1	727726671	GSRGDGLVKWNKKS-LBPRGKRZSA-N	314.345	1.060	50	20	DDGD	
CC1CCN(S(=O)(=O)NN(C)C(=O)OC(C)(C)C)CC1	496268059	UOBKQXSGTUNDRF-UHFFFAOYSA-N	307.416	1.335	50	20	DDGD	
CCN(CCO)NC(=O)c1ccnn1CCc1ccccc1	823898350	VCSSPZZFSZYZCY-UHFFFAOYSA-N	302.378	1.085	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H](O)C(C)C)cc1F	822649297	WNHMZIPPHFCFDA-NSHDSACASA-N	315.370	1.169	50	20	DDGD	
CCCN(NC(=O)CCCNC(=O)OC)C(=O)OC(C)(C)C	495695234	KUFXDYIHTIVDLF-UHFFFAOYSA-N	317.386	1.801	50	20	DDGD	
CC[C@](O)(C(=O)NN(C)[C@H](C)CO)c1cccc(Cl)c1	823924246	YRJWNCHVSKONCP-QMTHXVAHSA-N	300.786	1.281	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)/C=C\[C@@H]2CCOC2)c1	493449154	GAZLDZLQXYHORR-GEXIGZQTSA-N	318.373	1.422	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@H]1CCCN1Cc1ccc(F)cc1	823951917	NXFINGJUKNVDDW-SWLSCSKDSA-N	309.385	1.134	50	20	DDGD	
CCOC(=O)NNC(=O)CCCCNC(=O)OC(C)(C)C	495287010	QVHJPWXVBNETBA-UHFFFAOYSA-N	303.359	1.459	50	20	DDGD	
CCN(CCO)NC(=O)c1ccccc1Oc1ccncc1	823885169	YTAPURNWZSPJKW-UHFFFAOYSA-N	301.346	1.833	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnc(-c2ccccn2)s1	727672549	BFIAJSVOCUXZSS-UHFFFAOYSA-N	319.390	1.949	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)C1(C(=O)C2CC2)CC1	822212192	GDSVTULQULWAET-UHFFFAOYSA-N	320.776	1.789	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1CCc2ccc(F)cc21	825947183	HBKOZVJYXRKEBR-MRCXROJRSA-N	321.352	1.568	50	20	DDGD	
COc1ccc(NNC(=O)CNC(=O)c2ccc(F)cc2)cc1	729272322	OBYCQQUZSOBQQO-UHFFFAOYSA-N	317.320	1.707	50	20	DDGD	
Cc1c(Br)ccc(C(=O)NN(C)[C@H](C)CO)c1F	823928116	LCFMEBHBYSLYQJ-SSDOTTSWSA-N	319.174	1.854	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNC(=S)NCC1CCC1	727270930	NZHQLPBFCAHUPA-UHFFFAOYSA-N	318.402	1.232	50	20	DDGD	
CC(C)CN1CCN(C(=O)[C@]2(C)C[C@H]2Br)CC1	905381367	QADGCXDOWYPQPE-DGCLKSJQSA-N	303.244	1.960	50	20	DDGD	
CC[C@@H](C)c1csc(N(C)C(=O)c2cccc(B(O)O)c2)n1	584942350	GDRIGBBLFCVFBB-SNVBAGLBSA-N	318.207	1.613	50	20	DDGD	
CC(C)Cc1ccc(C(=O)NNC(=O)c2cccnn2)s1	829342339	LBRDLJOMTBEAHF-UHFFFAOYSA-N	304.375	1.811	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H]1OCCN(C)C1=O	908326528	CKICVBMWCRBUAS-AWEZNQCLSA-N	305.378	1.419	50	20	DDGD	
C[C@@H]1C[C@H]1C=NNC(=O)COc1ccccc1-c1nn[nH]n1	820666233	HFLMRBSZDJYCAZ-ZJUUUORDSA-N	300.322	1.004	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(S(C)(=O)=O)cc1	490611365	QDNNNPQHQAZABQ-JYVXZMADSA-N	322.386	1.148	50	20	DDGD	
CCOC1(C)CCN(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)CC1	827268994	UQGMVQNUEVYGSR-RYUDHWBXSA-N	313.398	1.043	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1c(C2CC2)cnn1C	827012259	UWNFLLPPCYAENK-UHFFFAOYSA-N	314.345	1.381	50	20	DDGD	
C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1C(=O)c1ccc(B(O)O)cc1	584990932	OTSTVSQRKLGUDT-GLJUWKHASA-N	323.201	1.773	50	20	DDGD	
CC[C@@H](C)[C@@H](NNC(=O)COc1ccc(F)cc1)C(=O)OC	905748704	YENNXNMQOQRMPK-QMTHXVAHSA-N	312.341	1.413	50	20	DDGD	
CC1(C)CCC[C@@H]2CN(C(=O)c3cccc(B(O)O)c3)CC[C@@H]21	584994079	CTMZHEOAXFNOKA-ZBFHGGJFSA-N	315.222	1.655	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@@H](C)c2ncnn2C)cc(C#N)n1C	834305805	HJULLNOGJFZMMC-JHXMEDKLSA-N	323.360	1.118	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCN(C)C(=O)OC(C)(C)C	495747289	PFYRXJMIBXJNPK-UHFFFAOYSA-N	316.402	1.374	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1cccc(-n2cccn2)c1	490724638	AFSXACIYZKSSDU-PTNGSMBKSA-N	310.357	1.932	50	20	DDGD	
O=C(CCc1nc(-c2ccsc2)no1)NNC(=O)C1CCC1	732143278	ZLRAJAQPPLBPNP-UHFFFAOYSA-N	320.374	1.678	50	20	DDGD	
COC(=O)NN=Cc1cc(Br)c2c(c1)OCO2	490615540	CWVZIAQFTSCGHP-UHFFFAOYSA-N	301.096	1.868	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)/C(C#N)=C/c1cnn(C)c1	491044892	DGFSISLPLUMDAW-JZUXZRAKSA-N	300.362	1.424	50	20	DDGD	
CC(C)Oc1cc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)ccn1	831700271	BVVCMOPEENIBNI-JQWIXIFHSA-N	322.365	1.447	50	20	DDGD	
C=C(CC)CNC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	838721499	YHLWFNSRRPLDGI-NSHDSACASA-N	309.341	1.890	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCCC2(CCSCC2)C1	584996687	ODDCCTTVYDFXMF-UHFFFAOYSA-N	319.235	1.116	50	20	DDGD	
O=C(Cn1cc(C2CC2)cn1)NNc1cccc([N+](=O)[O-])c1	830762866	XTAINYUOUIOJKS-UHFFFAOYSA-N	301.306	1.812	50	20	DDGD	
CC(C)c1ccc(OCCNCc2ccc(B(O)O)o2)cc1	585017440	XOHOAHDZCHMSJT-UHFFFAOYSA-N	303.167	1.251	50	20	DDGD	
CC1(C)CC2(CO1)CC(=NNC(=O)[C@@H]1CN3CCC[C@@H]3CO1)C2	901261985	CJEIIZMWBHOBPK-LICQEQMYSA-N	321.421	1.301	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)CCCCO1	837602762	CGKPXLAQVCFUTC-HNNXBMFYSA-N	321.333	1.527	50	20	DDGD	
Cn1cc(C(=O)CNC(=O)[C@H](Br)C(C)(C)C)cn1	832598816	WSEKFVOTLRDBKT-JTQLQIEISA-N	316.199	1.529	50	20	DDGD	
CCOc1ccccc1C(C)=NNC(=O)[C@H]1CCS(=O)(=O)C1	730576865	MAIZHXQLHJAURC-LBPRGKRZSA-N	324.402	1.360	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1	833242839	OXSXOASPRNOSTQ-MFKMUULPSA-N	321.333	1.415	50	20	DDGD	
C[C@H](Oc1cccc(F)c1)C(=O)NNC(=O)CC(F)(F)F	918365625	ADAUCJHGSGTZIE-ZETCQYMHSA-N	308.231	1.693	50	20	DDGD	
CN1CCNC[C@H]1C(=O)NNc1ccccc1C(F)(F)F	912448328	OWZVTHVOOAUXFR-NSHDSACASA-N	302.300	1.052	50	20	DDGD	
O=C1CCCCN1CC1CCN(S(=O)(=O)CCl)CC1	830729557	WVMFWPLFFBRUOX-UHFFFAOYSA-N	308.831	1.237	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@@H](c2cccs2)C2CC2)cn1	735579109	FPIBWTKWUNEXGT-GFCCVEGCSA-N	319.390	1.577	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1n[nH]c(C2CC2)c1Br	910168652	PSQNODURAPLFIV-ZCFIWIBFSA-N	317.187	1.007	50	20	DDGD	
O=C(NNC(=O)c1cccc2c1OCO2)NC1CCCCC1	917907320	XUUHOOYLRGYPLM-UHFFFAOYSA-N	305.334	1.692	50	20	DDGD	
O=C1NCC[C@H]1C(=O)NNc1cc(C(F)(F)F)ccc1F	831120499	WXRDBIXOUFJRRI-SSDOTTSWSA-N	305.231	1.424	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F	746001642	QRRHWPACQVEUKY-UHFFFAOYSA-N	321.303	1.573	50	20	DDGD	
COCCOCC(C)=NNC(=O)[C@@H](C)CN1CCCCCC1	741164053	VNCXVCFVSJOQQA-AWEZNQCLSA-N	313.442	1.654	50	20	DDGD	
CC[C@H](NC(=O)NNc1nc(C)cc(C)n1)C1CCOCC1	746425981	LQEGMLJPPBONQU-ZDUSSCGKSA-N	307.398	1.925	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C[C@@H](OC)[C@H]1CCOC1	841606731	KTISMOKXALQLAS-SWLSCSKDSA-N	322.361	1.228	50	20	DDGD	
CCSCC[C@H](C)N(C)CC(=O)NNC(=O)C(C)(C)C	744426605	MTUGWMACZANPOT-NSHDSACASA-N	303.472	1.643	50	20	DDGD	
CCn1ncnc1C=NNC(=O)[C@H](C)Oc1ccccc1F	848403190	QLJDZHSXBQCYNC-JTQLQIEISA-N	305.313	1.355	50	20	DDGD	
CCCC(C)(C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	844280285	YTUDZMKSXWYVFH-ZDUSSCGKSA-N	306.362	1.800	50	20	DDGD	
C[C@H](NC(=O)CC1CCCCC1)C(=O)NNC(=O)NCC1CC1	749850830	FZLMLVJFEQDMBN-NSHDSACASA-N	324.425	1.202	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)CC(F)(F)F)c1	918364603	PNVOWYSKGXGGQQ-UHFFFAOYSA-N	304.268	1.728	50	20	DDGD	
CC(C)(C)c1ncc(/C=C(\C#N)S(=O)(=O)NC2CC2)cn1	840719604	HZNFHFJFLBTORL-WUXMJOGZSA-N	306.391	1.720	50	20	DDGD	
CC(C)[C@H]1CCCC1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	747753604	JYZGTKDZMKSFAS-GHMZBOCLSA-N	301.412	1.285	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C(C)(C)CNC(C)=O)c1	845929600	WDFOVGOVEDSCRQ-UHFFFAOYSA-N	307.350	1.079	50	20	DDGD	
C[C@H](C(=O)NNC(=O)COc1ccccc1O)C1CCCC1	749382324	OBCGRWHPKBSYGB-NSHDSACASA-N	306.362	1.745	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCCNC1CC1)c1ccccc1	841929097	FSJUNCKAIQOUNR-UHFFFAOYSA-N	304.394	1.047	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)c1C	912452402	UCEKMUMPZTXLCA-ZLKJLUDKSA-N	302.330	1.450	50	20	DDGD	
NC1(CNC(=O)NNc2cccc(Br)n2)CCC1	841967349	SKKBSLJQKNCPEA-UHFFFAOYSA-N	314.187	1.352	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)COc2ccc(C#N)cc2)n1	748336744	YSBPNAWFAWHFJH-UHFFFAOYSA-N	317.736	1.832	50	20	DDGD	
CCOc1ccc(O)c(C=NNC(=O)CCN(CC)CC)c1	916354421	DDYCONBVKOHLIT-UHFFFAOYSA-N	307.394	1.973	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSc1ccc2c(c1)OCCO2	917180480	XGLZOKZENNNGHC-UHFFFAOYSA-N	324.402	1.743	50	20	DDGD	
CC(C)(C)[C@H]1CCC[C@H]1NC(=O)NNC(=O)c1ncccn1	841591033	SSRMYNPZJLOZKL-WDEREUQCSA-N	305.382	1.635	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2ccc3c(c2)OCCO3)c2ncnn21	841616225	LQECEVVITRPTCK-VIFPVBQESA-N	313.317	1.148	50	20	DDGD	
CCOCC(=O)NN=C(C)[C@@H](NC(C)=O)c1ccccc1F	841623480	LILIQCYWPYRGOQ-OAHLLOKOSA-N	309.341	1.532	50	20	DDGD	
C[C@@H]1CCCc2ncc(C(=O)NNC(=O)NCC(F)(F)F)n21	846064952	PBOOXFORTDTCEH-SSDOTTSWSA-N	319.287	1.287	50	20	DDGD	
CN(C)CC(=O)NNC(=O)CCc1c(Cl)cccc1Cl	848369250	GMGVJHCHJFQWIB-UHFFFAOYSA-N	318.204	1.635	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CCc2c(C)nn(C)c2C)n1	747980633	SMNLVLLJLCXIKX-UHFFFAOYSA-N	322.800	1.865	50	20	DDGD	
O=C(NNC(=S)NCC(F)(F)F)c1cccc(Cl)n1	749941056	CWISJFYMLIZHEU-UHFFFAOYSA-N	312.704	1.406	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1CC(=O)NNC(=O)c1cccc(C#N)c1	746217804	BNXDDMUUQUWVFV-TXEJJXNPSA-N	300.362	1.192	50	20	DDGD	
C[C@@H](NC(=O)c1ccoc1)C(=O)NNc1ccc(Cl)nc1	743818036	KPBDMPGIRFHVBV-MRVPVSSYSA-N	308.725	1.590	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)Cc2cn(C)nc2C)cc1	846376932	KNVQFYQDKGAAEW-UHFFFAOYSA-N	316.361	1.130	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCc2cc(C)on2)cc1	920235318	NRQKSKPCXLLCJY-UHFFFAOYSA-N	318.333	1.201	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)c1ccc2nc[nH]c2n1	755304253	BTVIYUUHJVYXCO-UHFFFAOYSA-N	321.300	1.765	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)C[C@H]1CCOC1	754279360	DAVAGGSNJNQSKK-SNVBAGLBSA-N	310.375	1.058	50	20	DDGD	
COc1cc(C(=O)NC[C@@]2(C)C[C@H]2Br)nn1C	857390338	DOHUTRXGIWBIMQ-LDYMZIIASA-N	302.172	1.332	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C(C)(C)c2ccccc2)sn1	857120820	NPQYNWWSRMJLGB-UHFFFAOYSA-N	319.386	1.891	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)c1cn(C2CC2)nn1	858138006	LBVRYQSECWHJNK-UHFFFAOYSA-N	317.374	1.238	50	20	DDGD	
CCN(C)C(=O)CNC(=O)NNc1cc(F)cc(Cl)c1	854005518	AFBADUVOZPOUGQ-UHFFFAOYSA-N	302.737	1.584	50	20	DDGD	
CC[C@@H](OC1CCCC1)C(=O)NNC(=O)c1cccc(F)n1	856424705	RNCKEADSPRETLQ-GFCCVEGCSA-N	309.341	1.720	50	20	DDGD	
C[C@]1(CNS(=O)(=O)N2CCCCC2)C[C@@H]1Br	856756017	IFDLCSXCXMKXOS-VHSXEESVSA-N	311.245	1.480	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)[C@H]1CCCCS1(=O)=O	856092830	IAWIUAWQEXFENZ-SECBINFHSA-N	303.771	1.145	50	20	DDGD	
CN(C)c1ncccc1C(=O)NNC(=S)NCC1CCC1	855092228	WBGZTSPDGJLZLI-UHFFFAOYSA-N	307.423	1.057	50	20	DDGD	
C[C@H]1CN(C2CC2)CC1=NNC(=O)COc1ccccc1F	755881182	RYJCLXCLDAFXTD-NSHDSACASA-N	305.353	1.791	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])[C@H]1COc2ccccc2O1	920957541	OYYMOTSLYBZSEZ-GFCCVEGCSA-N	316.273	1.273	50	20	DDGD	
CC(C)(C)S(=O)(=O)CC(=O)NNc1ccnc(Cl)c1	855465705	VEYWCYWRMQUWCT-UHFFFAOYSA-N	305.787	1.391	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NNc2ccc(Cl)nn2)C1	857860201	SBWHLKFMTLLTSF-VXNVDRBHSA-N	306.757	1.662	50	20	DDGD	
CC1(C)CC(=NNC(=O)c2cc[nH]n2)c2sc(N)nc2C1	853391827	CTDKDPZKMYZBIJ-UHFFFAOYSA-N	304.379	1.555	50	20	DDGD	
O=C1NCC[C@]1(C(=O)NNc1ccc(F)cc1)C1CCCC1	858279862	WPIYUAHMNLTVLL-INIZCTEOSA-N	305.353	1.965	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C(=O)c2ccc(C)cc2)nc1	758514947	JLUZGFSENXFPPW-UHFFFAOYSA-N	313.313	1.503	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NNC(=O)OCC(F)(F)F	856024354	RZCZHYBAILJEQQ-YIZRAAEISA-N	311.304	1.567	50	20	DDGD	
C[C@](O)(Cc1ccccc1)C(=O)NNC(=O)CC(F)(F)F	855000273	FIOCVYPNMWKSCY-LBPRGKRZSA-N	304.268	1.080	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cnc3n2CCCCC3)cc1	857087331	VDXMBHUDNZULCI-UHFFFAOYSA-N	323.356	1.556	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)C(=O)NCC2	756614803	AUMWRXFEBDAGSI-VIFPVBQESA-N	304.350	1.171	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2C[C@H]3CC[C@H]2NC3)C[C@@H]1Br	857007790	UXZHQDUJDFTGDE-OOTJXSFTSA-N	301.228	1.664	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2nccn3ccnc23)c1	759327999	GJNZVAUYUPJXCH-UHFFFAOYSA-N	301.281	1.634	50	20	DDGD	
O=C(CCCCN1CCOCC1)NNc1ncc(Cl)cn1	857357897	HVKDBHFSRQQVJO-UHFFFAOYSA-N	313.789	1.076	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Nc2cnc(C3CC3)nc2)c1	756369565	CDTUGTKECORTDO-UHFFFAOYSA-N	322.328	1.692	50	20	DDGD	
O=C(CSc1ccncc1)NNC(=O)OCC(F)(F)F	856026634	FVWSPFLNNVXXRV-UHFFFAOYSA-N	309.269	1.493	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C2(C#N)CC(C)C2)c1	758151902	KLJHRDDZHMKLJA-UHFFFAOYSA-N	315.373	1.770	50	20	DDGD	
CC[C@H](C(=O)NNC(=S)NCC1CCC1)N(CC)CC	855091127	CGFKOQGGXIRARO-GFCCVEGCSA-N	300.472	1.402	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1	755963908	JHZRIAQRFFUDIH-UHFFFAOYSA-N	322.365	1.014	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@@H]1CCSC1	762443681	WQZIWPZBCNGJNW-SNVBAGLBSA-N	309.391	1.008	50	20	DDGD	
Cc1nnc(NNC(=O)c2cccc([C@@H]3CCOC3)c2)nc1O	762192084	AZMCYKZGMVEZHE-GFCCVEGCSA-N	315.333	1.146	50	20	DDGD	
Cc1cccc(CO[C@H](C)C(=O)NNC(=O)[C@H]2CCCCO2)c1	868619535	OIPYZHULZNMYCZ-UKRRQHHQSA-N	320.389	1.617	50	20	DDGD	
C[S@@](=O)Cc1ccccc1NC(=O)NNC(=O)C1CCC1	762891649	ZOTXWGKEJMKIID-OAQYLSRUSA-N	309.391	1.518	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2coc3cc(F)ccc23)n[nH]1	765588914	SOTRKJGUWBZXDC-UHFFFAOYSA-N	316.292	1.607	50	20	DDGD	
COC[C@@](C)(NC(=O)NNc1ncc(F)cn1)C(F)(F)F	932329518	JFJMDKPKZUCVTD-SECBINFHSA-N	311.239	1.209	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)Cc1ccc(F)cc1Cl	867255477	IYHDVAAMMRFBNR-UHFFFAOYSA-N	310.734	1.512	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CCCOc1ccc2c(c1)OCO2	764729617	SMMUJVPUNVLAFX-UHFFFAOYSA-N	322.361	1.768	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)Nc2ccc3c(c2)CCC3)n[nH]1	764497860	NSQRRGBOHPFCSV-UHFFFAOYSA-N	315.402	1.838	50	20	DDGD	
COC(=O)C[C@@H]1CCCN1S(=O)(=O)CC(C)(C)CCl	866992464	RJYMGWHUEZMRBG-JTQLQIEISA-N	311.831	1.609	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H](CC(C)C)NC(C)=O	860605398	GGJJQVTYGGISOW-CQSZACIVSA-N	321.377	1.467	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN[C@H](C(C)(C)C)C(F)(F)F	766866968	CVGHSOBUSDUSNW-SECBINFHSA-N	311.348	1.747	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)OCC(=O)N1CCOCC1	766745187	ABAPJYFHYMIDMG-JTQLQIEISA-N	322.199	1.198	50	20	DDGD	
COc1cc(OC)c(C(=O)O)cc1/C=C(\C#N)C(=O)NC(C)C	863178486	SARCYTCBMIBZSK-VZUCSPMQSA-N	318.329	1.834	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCc2cc(F)c(Cl)cc21	863072740	PAWMIMYXMPMKSM-UHFFFAOYSA-N	323.755	1.868	50	20	DDGD	
O=C(NN=C1CCS(=O)CC1)c1cc(Cl)ccc1O	761804144	KAWUVEOVNCVJOK-UHFFFAOYSA-N	300.767	1.674	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc2nc(C)sc2c1	761626311	WSLUYLXYYTUZKI-UHFFFAOYSA-N	322.390	1.585	50	20	DDGD	
CCn1cc(C(=O)NNc2ccc(Cl)nn2)c(C2CC2)n1	878887151	SHECUYLAFRDDSG-UHFFFAOYSA-N	306.757	1.981	50	20	DDGD	
COCC(=O)NN=C1C(=O)Nc2cc(OC(F)(F)F)ccc21	761817482	KKWXZYIUVKVIDP-UHFFFAOYSA-N	317.223	1.004	50	20	DDGD	
O=C(NNC(=O)C1(Br)CC1)NC1CCCCC1	873772794	VPRSZBZHMZAFSM-UHFFFAOYSA-N	304.188	1.577	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccnc(OCC(F)(F)F)c1	879121948	OMFHQSVJHFUHNC-UHFFFAOYSA-N	322.243	1.757	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)/C=C\c2ccc(O)c(O)c2)c1	779513220	URLLXUOVIGJMKT-ALCCZGGFSA-N	323.308	1.444	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@](C)(CO)Cc1ccc(OC)cc1	874740381	JLVVHHMJGFISBY-GWKQRERASA-N	318.373	1.549	50	20	DDGD	
C[C@@H](OC1CCCCC1)C(=O)NNc1nc2ccccn2n1	1116753405	SXLUMFCRVTWBMH-LLVKDONJSA-N	303.366	1.910	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NOC2CCCCC2)cc1	779694416	SQDFHOBBFFXMFQ-UHFFFAOYSA-N	321.377	1.969	50	20	DDGD	
CCN1CCC[C@@H]1Cn1c(C)cc(C=NNC(=O)CCO)c1C	1116205831	WLHHOGPCNQLJSF-MRXNPFEDSA-N	320.437	1.422	50	20	DDGD	
COc1ccc2c(c1)CC[C@H](C(=O)NNC(=O)CC(C)C)C2	878007812	MCKBVCQETZWOIN-AWEZNQCLSA-N	304.390	1.994	50	20	DDGD	
C[C@@H](CC(=O)NNc1nc(O)c2cnn(C)c2n1)CC(C)(C)C	770975007	SIZZRVVAMOESGR-VIFPVBQESA-N	320.397	1.974	50	20	DDGD	
Cn1cc(C(=O)NNc2ncc(F)cn2)c(C(F)(F)F)c1	1116613862	YAFNKNCOTRMEAF-UHFFFAOYSA-N	303.219	1.730	50	20	DDGD	
CC[C@@H](CO)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	779724285	JNHOQOARZXDUBO-ZZTKBFGJSA-N	308.422	1.759	50	20	DDGD	
CC(C)C(=O)NNC(=O)Cn1nc(C(F)F)cc1C1CC1	873797514	SVAPUACGQRKGQL-UHFFFAOYSA-N	300.309	1.502	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1	775550351	ZRSRRVFQKNXPCE-QWRGUYRKSA-N	322.365	1.500	50	20	DDGD	
C#CCCCCCC(=O)NNC(=O)[C@H]1COc2ccccc2O1	779718909	HKOVWFWQPNOKFY-OAHLLOKOSA-N	316.357	1.558	50	20	DDGD	
CC(C)C(=O)NNC(=O)Cn1cc(-c2c(F)cccc2F)nn1	881299407	ILESJLSGYDWANP-UHFFFAOYSA-N	323.303	1.027	50	20	DDGD	
COc1cccnc1NC(=O)NNC(=O)Cc1ccc(F)cc1	771798044	COHBINSZSQXHNI-UHFFFAOYSA-N	318.308	1.625	50	20	DDGD	
C=C(CBr)n1cc(CC(C)(C)C(=O)OC)nn1	881316056	LVZXKRPHZBBOMQ-UHFFFAOYSA-N	302.172	1.885	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc2cnn(CC)c2nc1C	887148239	UHONAEPGCPSVPU-UHFFFAOYSA-N	313.361	1.324	50	20	DDGD	
COc1cc(C(=O)NNc2nc(-c3ccccc3)no2)nn1C	772945962	FHLVRJOXZYJLNE-UHFFFAOYSA-N	314.305	1.236	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@]1(OC)CCSC1)c1ccccc1	888907573	PGOXHOODKNOZPD-BBRMVZONSA-N	322.430	1.850	50	20	DDGD	
CCn1c(NNC(=O)CCCCO)nc2ccccc2c1=O	771502561	RJKCDSHKAOQVAI-UHFFFAOYSA-N	304.350	1.022	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)/C=C/c2ccc(O)c(O)c2)cc1	779507042	VTVMYNSWTAVZLF-XBXARRHUSA-N	323.308	1.444	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)NC2CSC2)c1C	880737323	ZRWVAVUNHNZYDA-AUWJEWJLSA-N	319.430	1.890	50	20	DDGD	
Cc1conc1NC(=O)C(=O)NNc1ccc(F)c(F)c1F	784811218	PFHRPJDEBWOVBO-UHFFFAOYSA-N	314.223	1.482	50	20	DDGD	
CCOC(=O)[C@@H](CC(C)C)NNC(=O)c1cccc(C#N)c1	782228775	MJNAJAYLHHKPGC-CQSZACIVSA-N	303.362	1.770	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ccc(C)c(O)c1O	781015858	YSHRHFPUIHQQGZ-UHFFFAOYSA-N	316.313	1.950	50	20	DDGD	
O=C(NNC(=O)C12CCC(CC1)C2)[C@@H]1COc2ccccc2O1	783700209	QVWVDJYNJVLZFJ-WKXXDYOBSA-N	316.357	1.554	50	20	DDGD	
O=C(NNS(=O)(=O)[C@H]1C[C@H]1c1cccc(F)c1)C1CCC1	882697666	HGMXELZSLJPBFJ-STQMWFEESA-N	312.366	1.432	50	20	DDGD	
Cc1nc(C)c(CCNS(=O)(=O)CBr)s1	782435760	WACOJASHQFHZJF-UHFFFAOYSA-N	313.242	1.574	50	20	DDGD	
C[C@@H](CNS(=O)(=O)CBr)N1CCCC[C@H]1C	782413614	BIJBAJRYGXDDCI-ZJUUUORDSA-N	313.261	1.521	50	20	DDGD	
CC1(C)CCC[C@H](NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)C1	785911166	YIQRELGCPPUELP-SMDDNHRTSA-N	317.455	1.336	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ccc2c(c1)OCCCO2	782541355	FJXMHUGHOWBZDM-UHFFFAOYSA-N	305.334	1.801	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](O)C2CCCCC2)nc1	783689280	DQOUXCQBPRIWCS-CYBMUJFWSA-N	307.350	1.253	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)cn1	781570863	DOHIMBDXXRDTTM-UHFFFAOYSA-N	316.317	1.097	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1nc2nc(C)ccc2o1	783909385	MCYFPVPRHZOMEA-MRVPVSSYSA-N	308.363	1.569	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CN2[C@@H](C)CC[C@@H]2C)c1	781036876	AFBMNJYKRDDOAD-RYUDHWBXSA-N	305.378	1.789	50	20	DDGD	
COc1ccc(OC)c(C(=O)NNc2cccc(OC)n2)c1	780771615	YWPLUCGHBLQPGA-UHFFFAOYSA-N	303.318	1.864	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)c1cccc(C(N)=O)c1	788189485	ROWBFNJPILEADX-UHFFFAOYSA-N	303.293	1.690	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NN=c2cc[nH]cc2)c(OC)c1	782079548	IOUXTNWIADFRLA-UHFFFAOYSA-N	316.317	1.447	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)CC2OCCO2)cc1C	794656505	HJIGMPXINOOHPP-UHFFFAOYSA-N	308.334	1.378	50	20	DDGD	
CCC(=NNC(C)=O)c1ccc(Cl)c(S(N)(=O)=O)c1	794454999	KLRIVNJSHGQTTK-UHFFFAOYSA-N	303.771	1.238	50	20	DDGD	
Cc1cnn(C)c1C=NNC(=O)c1ccc2c(c1)OCCO2	794885873	BPDUHFPGTJTXFR-UHFFFAOYSA-N	300.318	1.264	50	20	DDGD	
Cn1c(Cl)cnc1C=NNC(=O)[C@H]1COc2ccccc2O1	799466587	IWMSNJFVUMOAAR-LLVKDONJSA-N	320.736	1.364	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)Cn1cc([C@H](C)O)nn1	794948081	HNBQZVVOAAUKIK-LBPRGKRZSA-N	317.393	1.907	50	20	DDGD	
COC(=O)CNC(=O)NN=C[C@@H](OC(C)C)c1ccccc1	793038993	HMZOVLPGTFZZLZ-CYBMUJFWSA-N	307.350	1.611	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Cc1cccc(OC)c1	790065403	NELDDTDJAYJRHI-UHFFFAOYSA-N	324.377	1.174	50	20	DDGD	
N#C/C(=C/c1nc2c(s1)CCCC2)S(=O)(=O)NC1CC1	794942994	GKDLEZQSIPVLNQ-YFHOEESVSA-N	309.416	1.968	50	20	DDGD	
COc1cc(C)ccc1NC(=O)C(=O)NNc1ncccc1C	792379355	FFSKTNAIUQSYBG-UHFFFAOYSA-N	314.345	1.789	50	20	DDGD	
O=S(=O)(CCl)NCCCOCCOCc1ccccc1	390473794	JXTFQVBAKVHHEA-UHFFFAOYSA-N	321.826	1.726	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)c2ccc(C#N)cc2)c(C2CC2)n1	1325129192	REAIWUZCBKBYCY-UHFFFAOYSA-N	321.340	1.609	50	20	DDGD	
O=C(CCSc1ccc(Cl)cc1)N1CC[C@@H](B(O)O)C1	585070581	AJNWODJJATUELZ-SNVBAGLBSA-N	313.615	1.898	50	20	DDGD	
Cc1c[nH]ccc1=NC(=O)NNC(=O)c1ccccc1Cl	1325359431	FJXQFQITXRDYKH-UHFFFAOYSA-N	304.737	1.932	50	20	DDGD	
CC(F)(F)C1(C(=O)NNC(=O)COc2ccccc2O)CC1	1327915451	GIXSMKRGGKRFQW-UHFFFAOYSA-N	314.288	1.354	50	20	DDGD	
COc1ccc(NC(=O)Cn2cc(NC(=O)CCl)cn2)cc1	1336910117	NXOLOLKTAKBCJV-UHFFFAOYSA-N	322.752	1.708	50	20	DDGD	
CC(C)c1ncncc1C(=O)NNc1nncc(N)c1Cl	1253124335	QYTPWRYFXYKMDP-UHFFFAOYSA-N	307.745	1.383	50	20	DDGD	
CNc1nc(C(=O)NNC(=O)c2ccccc2Cl)cs1	1333074156	TZZNHYNFBCUQCX-UHFFFAOYSA-N	310.766	1.913	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=S)Nc2ccccn2)cn1	1332497492	PCQMMZYOGCKJCW-UHFFFAOYSA-N	317.374	1.507	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](C(=O)OC[C@]2(C)C[C@H]2Br)C1	1345265055	IITXKAXDISLLCY-SREGZZRCSA-N	305.168	1.902	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)Nc1cccc(Cl)c1F	1261369768	MRCCJKGLBVYLBI-UHFFFAOYSA-N	314.748	1.631	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cccc(C(=O)N2CCCCC2)c1	1347239697	QFDBENVWTVUJEG-UHFFFAOYSA-N	315.373	1.484	50	20	DDGD	
Cc1ncnc(O)c1CCC(=O)NNc1ccccc1C(=O)O	1607975412	FWBVWYIXTNNRCG-UHFFFAOYSA-N	316.317	1.265	50	20	DDGD	
O=C(CCc1ocnc1C(=O)O)NNc1cccc(Cl)n1	1608322307	QGWGZVWDAFOGQU-UHFFFAOYSA-N	310.697	1.497	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2ccc(C(=O)O)o2)c1	1601088406	UGTOZLKOIQUVPB-UHFFFAOYSA-N	306.665	1.655	50	20	DDGD	
O=C(/C=C/c1ccncn1)NNc1cccc(F)c1C(=O)O	1601242699	DZAFCYRIVVZLNG-SNAWJCMRSA-N	302.265	1.470	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc(C(=O)O)n2C)n1	1600705181	FKHAGLPLEBSDPE-UHFFFAOYSA-N	309.713	1.232	50	20	DDGD	
CC(C)(F)CCNC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1603158266	YGAIOFOUXLEHBA-UHFFFAOYSA-N	308.321	1.026	50	20	DDGD	
O=C(O)CC[C@H]1C[C@H](C(=O)NNc2ccnc(Cl)c2)CO1	1606110806	AYXVFXUQRSPDRO-WPRPVWTQSA-N	313.741	1.448	50	20	DDGD	
NC[C@@H]1CC[C@@H](NC(=O)NNc2ccc(C(=O)O)c(F)c2)C1	1601184260	ISWUTALKJYQXRQ-RKDXNWHRSA-N	310.329	1.277	50	20	DDGD	
CC[C@@H](CC(F)F)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1604015887	NVZOEJWZVLGPSB-QMMMGPOBSA-N	310.308	1.991	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)CCc2ccncn2)cc1	1608781203	SSGFFRSFLPBHRA-UHFFFAOYSA-N	300.318	1.180	50	20	DDGD	
COc1cc(NNC(=O)[C@](C)(C#N)CC(=O)O)ccc1Cl	1604732123	VKMJIYBMWWMHMW-ZDUSSCGKSA-N	311.725	1.796	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2cc(C(=O)O)c(C)o2)o1	1600341015	JIIWXJDTHVJDDY-UHFFFAOYSA-N	321.289	1.332	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2ccc(-c3nn[nH]n3)cc2)cc1	1609352124	MAFIHAORFDLWBN-UHFFFAOYSA-N	322.328	1.639	50	20	DDGD	
C[C@]1(C(=O)O)CCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	1603292210	DKPVLKQHCQEKEK-HMWXGYMHSA-N	300.314	1.765	50	20	DDGD	
COC[C@H](C)C(C)=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccnn1C	1549322642	ZXUZUPUZFVDMGO-LNSITVRQSA-N	322.409	1.662	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNc2cccc(C(=O)O)c2)c1	1610215633	SZGLXYGUYSGTQU-UHFFFAOYSA-N	314.297	1.928	50	20	DDGD	
O=C(NNc1ncccc1F)C(=O)Nc1ccccc1C(=O)O	1611344376	DSGGPYFTDZWNJY-UHFFFAOYSA-N	318.264	1.001	50	20	DDGD	
C[C@@H](CBr)CN1CCC([C@@H]2OCC[C@H]2N)CC1	1575910816	BLGIHZOKCOLPGM-UHTWSYAYSA-N	305.260	1.846	50	20	DDGD	
C#CC[C@@]1(C(=O)NNc2oc(C(C)C)nc2C#N)CCCN1	1574526134	YRHOGZQLTAZKPP-HNNXBMFYSA-N	301.350	1.258	50	20	DDGD	
CC(C)(C)OC(=O)[C@@]1(C)C[C@@H](I)CN1	536960670	SICDEQPVLVXPFV-GMSGAONNSA-N	311.163	1.884	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)C2C[C@@H]3CCC[C@H](C2)C3N)c1	1579832314	CBISCNFVWLCUSR-KCXRBIIJSA-N	321.446	1.971	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@H](C)CCCN)cc1	1578821095	XDMFBWWZYXGNMJ-LLVKDONJSA-N	308.382	1.156	50	20	DDGD	
C[C@@H](Cc1cnc[nH]1)C(=O)NNc1ccc(F)c(C(=O)O)c1	1592907812	SBOAEBVJTBHDHE-QMMMGPOBSA-N	306.297	1.569	50	20	DDGD	
Cc1cncc(CCC(=O)NNc2ncccc2C(=O)O)c1	1594433509	KZEDQDIQTXWUNH-UHFFFAOYSA-N	300.318	1.559	50	20	DDGD	
Cc1[nH]ccc1C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843364243	YGKZHHSQDNYETR-NSHDSACASA-N	313.760	1.675	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)c1cc(-c2nn[nH]n2)ccn1	1593163861	LARRFTYCMXAAIG-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
O=C(NNc1ccc(F)cc1Cl)c1c[nH]c(-c2nn[nH]n2)c1	1593163949	NZLXLXAWRHENQU-UHFFFAOYSA-N	321.703	1.744	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(F)cc(C(=O)O)c2)n1	1599394158	CRNQHHOSRXTZMZ-UHFFFAOYSA-N	320.280	1.388	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(C[C@@H](C)C(=O)O)cc1	1596662334	DAEYCISSKSLKMN-SECBINFHSA-N	309.322	1.732	50	20	DDGD	
COc1nn(C)cc1NC(=O)NNc1ccc(C(=O)O)cc1F	1599740129	XISITDYOQLOVDH-UHFFFAOYSA-N	323.284	1.415	50	20	DDGD	
COc1cc(/C=C(/C#N)S(=O)(=O)NC2CC2)ccc1C(=O)O	1777285265	VHLOIXDLJXVQDV-WDZFZDKYSA-N	322.342	1.340	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccc(/C=C\C(=O)O)cc1	1776116011	PHRFYAQNEFRWEN-FSGUHFLXSA-N	301.298	1.881	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1cc(Cl)ncc1C(=O)O	1776082367	LZITWLTZPIALET-VXNVDRBHSA-N	311.725	1.308	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl)c1ccno1	1796804506	WIHNMNVBQSTLFI-DKIAZLNASA-N	315.732	1.461	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2ccc(C#N)cc2)c1	17250911	AVABZNVXKFJICP-UHFFFAOYSA-N	308.341	1.699	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccccc1O	17581129	RVVGKXFSNFMSFU-UHFFFAOYSA-N	310.313	1.423	50	20	DDGD	
COCCC(=O)NNc1c(F)cc(C(=O)NC2CC2)cc1F	160008536	QJUIUKJSJZEQJT-UHFFFAOYSA-N	313.304	1.337	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1ccn(-c2ccccc2)n1	160808615	GFRFVMNNQNCAET-WYMLVPIESA-N	310.357	1.932	50	20	DDGD	
Nc1c(C(=O)NNc2cccnc2Cl)cccc1[N+](=O)[O-]	163109052	LBXQJASFQCXWLC-UHFFFAOYSA-N	307.697	1.982	50	20	DDGD	
C[C@@H](CCO)N(C)S(=O)(=O)c1ccc(CCCl)cc1	846028966	KQRJAZOMWZZZAT-NSHDSACASA-N	305.827	1.859	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NC[C@@H]2CCCOC2)c1	56368731	YGUTVMFVFLTKAV-ZDUSSCGKSA-N	321.377	1.131	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccnc(Cl)c2)nc1	179781210	CTOISECQHGNFGK-UHFFFAOYSA-N	306.709	1.674	50	20	DDGD	
O=C(CCCNC(=O)C1CC1)NNc1ccnc2ccccc12	106923410	OPUZZTPQHUGDJT-UHFFFAOYSA-N	312.373	1.984	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccccc1O)C(=O)OC(C)(C)C	57910811	HXZDQSDOMWKZTA-UHFFFAOYSA-N	323.349	1.020	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H](C(=O)NNc1cnccn1)C2	114879043	SPCLXHNMZWCXQN-NSHDSACASA-N	300.318	1.180	50	20	DDGD	
CNc1snc(C)c1C(=O)NNC(=O)CNc1ccccc1	104831693	BTTKMDUZTYGAGX-UHFFFAOYSA-N	319.390	1.366	50	20	DDGD	
Cc1cc(F)c2c(c1)/C(=N/NC(=O)NCc1ccco1)C(=O)N2	64912188	HEFRFKFRHCHUEF-UHFFFAOYSA-N	316.292	1.883	50	20	DDGD	
Cc1cc([C@H](C)NC(=O)NNC(=O)c2cnn(C)c2)c(C)o1	118066879	BQURHBGARGYZTB-VIFPVBQESA-N	305.338	1.335	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H]2C[C@]23CCc2ccccc23)n1	175313474	YRFSDVBWBWFWIA-GUYCJALGSA-N	310.357	1.832	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cc(-c2ccco2)on1	171596376	JMKIKIVKQLOHHH-UHFFFAOYSA-N	312.285	1.333	50	20	DDGD	
C[C@@H]1c2ccccc2CCN1C(=O)NNC(=O)Cc1cccnc1	171604768	IWMZFQATNKNMDV-CYBMUJFWSA-N	324.384	1.984	50	20	DDGD	
CC(=O)N(c1nc(/C=C(\C#N)C(=O)NC2CC2)cs1)C1CC1	172043709	TUGQVODYEFXJAT-UXBLZVDNSA-N	316.386	1.844	50	20	DDGD	
O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NNC(=O)c1ccc[nH]1	117745547	HXPXEZDSKLADMI-UHFFFAOYSA-N	322.708	1.580	50	20	DDGD	
CCc1ncc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)s1	65047981	CBCGRMMPEAPITE-UHFFFAOYSA-N	320.330	1.689	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C[C@@H]1OCCc2ccccc21	115320467	ZMYDBARILGPSJC-HNNXBMFYSA-N	313.357	1.490	50	20	DDGD	
COC(=O)C1CCC(C(=O)NNC(=O)c2ccc(C)s2)CC1	179479986	AXKLHDAFRIIUGT-UHFFFAOYSA-N	324.402	1.797	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)c2ccc(C)o2)c(C)c1	176689553	HZTBSGFGBIZTET-UHFFFAOYSA-N	324.358	1.528	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1ccccc1CS(C)(=O)=O	178531474	GFTVSLKIRCBEPL-GXDHUFHOSA-N	322.386	1.291	50	20	DDGD	
C[C@@H](CCN(C)C)NC(=O)NNC(=O)CCCc1ccccc1	69820683	KMMPKJMTLQZBMF-AWEZNQCLSA-N	320.437	1.680	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)C(=O)NNc1cc(Cl)nc(N)n1	121654919	QFZQHPRMRRPKIY-YFKPBYRVSA-N	309.761	1.299	50	20	DDGD	
CO[C@H](C)CCC(=O)NNc1cccc(S(C)(=O)=O)c1	184221088	TWHMMCWVSBRDFC-SNVBAGLBSA-N	300.380	1.348	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)/C=C/C1CCCCC1	77164020	SFAHLEYLOKLPQS-ZHACJKMWSA-N	309.410	1.575	50	20	DDGD	
CC1(C)CCCC[C@@H]1CC(=O)NNC(=O)C(=O)N1CCCC1	120426603	JYSQVJUMSCBDDE-GFCCVEGCSA-N	309.410	1.363	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCOC[C@@H]1c1nc(C)cs1	189042019	WQHNYPWMFQBKRF-YTRUQHMWSA-N	307.375	1.795	50	20	DDGD	
Cc1nc(Cc2ccccc2)sc1C(=O)NN(C)C(N)=O	181082978	FNAAVTUWOQSIHK-UHFFFAOYSA-N	304.375	1.698	50	20	DDGD	
O=C(CO)NNC(=O)c1cncc(-c2ccc(Cl)cc2)c1	182754663	WFIPFUGFUCYGAC-UHFFFAOYSA-N	305.721	1.155	50	20	DDGD	
O=C(NNc1ccncc1)Nc1ccn(CC(F)(F)F)n1	122263569	AKBARCKSJNZTNV-UHFFFAOYSA-N	300.244	1.989	50	20	DDGD	
CC1(C)C[C@@H](NC(=O)NNC(=O)Cc2ccc(F)cc2)CCO1	125735212	RNFUBKIMEQCXBN-ZDUSSCGKSA-N	323.368	1.656	50	20	DDGD	
O=C(NC[C@H]1COC2(CCCCC2)O1)NNc1ccccn1	181134745	OIIDDRLOVBEKGM-LBPRGKRZSA-N	306.366	1.784	50	20	DDGD	
CS[C@H](C)C(=O)NNC(=O)c1ccc(Br)cc1	32477649	KGCYDWZFCKOYRC-SSDOTTSWSA-N	317.208	1.962	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)Nc2cnn(C)c2)c1	183227393	QZWRAIDIEFYNMP-UHFFFAOYSA-N	317.349	1.269	50	20	DDGD	
CC(C)[C@]1(C)C[C@H]1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	185203444	LLPLEIBIVOWCND-YLVFBTJISA-N	318.373	1.656	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](C)Oc1ccc(F)c(F)c1	132042706	OWYQMYKOZZJDHI-QMMMGPOBSA-N	324.287	1.674	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cc(F)ccc1Br	49477123	FQQDNIJDQMFYFK-UHFFFAOYSA-N	318.146	1.941	50	20	DDGD	
COc1ccc(F)cc1NC(=O)NNC(=O)Cc1cccnc1	183460083	NEITWJCYWGCAEY-UHFFFAOYSA-N	318.308	1.625	50	20	DDGD	
O=C(NNC(=S)NC1CC1)c1nnc(-c2ccccc2)o1	139048296	XSWOJPRJXYXUEG-UHFFFAOYSA-N	303.347	1.008	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCc1ncccc1F	132510325	DITOLZUCVYPMCJ-UHFFFAOYSA-N	320.299	1.433	50	20	DDGD	
CCN1CCO[C@H](C(=O)NNc2ncc(Cl)cc2Cl)C1	132883665	DUXCYDRGWZTJRE-JTQLQIEISA-N	319.192	1.552	50	20	DDGD	
O=C(CCCc1cccs1)NNC(=O)NCC(F)(F)F	48832003	FDSWTTJSXCMFJF-UHFFFAOYSA-N	309.313	1.964	50	20	DDGD	
CCn1cc(NC(=O)NNC(=O)COc2ccc(F)cc2)cn1	48351002	SIEVWWRRJYFUPS-UHFFFAOYSA-N	321.312	1.274	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(Cl)ccc1F	94121697	DSGZUUYIHAGYJR-UHFFFAOYSA-N	321.830	1.951	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)N[C@@H](C)CCOC	263783016	WQPRXKUYBFINNG-LBPRGKRZSA-N	323.393	1.383	50	20	DDGD	
O=C(NNc1ccccn1)[C@@H]1CCS(=O)(=O)c2ccccc21	367689494	SEIQIIRNAWQXJA-GFCCVEGCSA-N	317.370	1.486	50	20	DDGD	
CN(Cc1ccon1)C(=O)NNC(=O)CCCc1ccccc1	265807457	VCEVVDJXPPNMLP-UHFFFAOYSA-N	316.361	1.870	50	20	DDGD	
CCn1cnnc1CNC(=O)[C@H](Br)C(C)(C)C	274305280	VGIQQPPWYAQMHL-VIFPVBQESA-N	303.204	1.724	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H]2CCO[C@@H](C)C2)c(C)c1	271815026	BQJXTDRBYGEQBA-KBPBESRZSA-N	319.405	1.678	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCC[C@H](C)O)cc(C#N)n1C	279044608	CZGIFSGCGBMVMP-NGPAHMQLSA-N	300.362	1.389	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(OC2COC2)cc1	275383686	BZFJUAPWLSPMKS-SNVBAGLBSA-N	307.350	1.663	50	20	DDGD	
O=C(NNC(=O)[C@H](F)C(F)(F)F)c1ccc2c(c1)OCCO2	277557015	WUFYNSDZTTUHOM-VIFPVBQESA-N	322.214	1.119	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1csc(-c2ccccn2)n1	272706545	WHUQSCHLNRUPFK-UHFFFAOYSA-N	319.390	1.440	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccccc1-c1nnc(C)o1	273191781	PVYVYQCBRXZUGX-UHFFFAOYSA-N	303.322	1.351	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCNC(=O)NC1CCCCC1	270657082	NBXMOQFKUJVFCE-VAWYXSNFSA-N	308.382	1.178	50	20	DDGD	
C[C@@H]1CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)CC[S@]1=O	279314178	NVBHLZFTZZBEQN-VDGJCLHWSA-N	318.398	1.669	50	20	DDGD	
CSc1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)cc1	271739462	VHHHNUMHORZTGX-UHFFFAOYSA-N	309.391	1.541	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1CC12CCOCC2	378007538	PZOCXLJPSINZFZ-LBPRGKRZSA-N	304.346	1.273	50	20	DDGD	
O=C(NNC(=O)c1ccc(OC2CCCC2)nc1)NC1CC1	273200137	NZBRJQDCCBTGJP-UHFFFAOYSA-N	304.350	1.509	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)CCCc1ccccc1	282206946	QJOBEMPJPNVGCS-ZENOOKHLSA-N	304.390	1.970	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C[C@@H]2C=CCCC2)cc1	282963006	UUKBQWZODCBXCI-CYBMUJFWSA-N	315.373	1.827	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H]1CCCN1c1ccccc1	375757929	UDVZBQRWPBTWED-AWEZNQCLSA-N	320.393	1.022	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)NC1CC(F)(F)C1	288614025	IXXUPMJOEIGETO-UHFFFAOYSA-N	309.280	1.086	50	20	DDGD	
Cc1onc(-c2cccnc2)c1C(=O)NNC(=O)NC(C)C	285237877	WBAIEQCEAUGYGE-UHFFFAOYSA-N	303.322	1.397	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc(C#N)oc1C	287784152	LBFFBBWAWUXPCS-UHFFFAOYSA-N	309.322	1.010	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)N[C@H]1CCS(=O)(=O)C1	282929364	FTDXREWMVSXORU-LBPRGKRZSA-N	311.407	1.371	50	20	DDGD	
Cc1nn(C)c2sc(C(=O)NNC(=O)[C@@H]3CC[C@H](C)O3)cc12	294293542	QJHWLEQVOKDIDV-XVKPBYJWSA-N	322.390	1.272	50	20	DDGD	
O=C(CCc1ncc[nH]1)NNC(=O)c1cccc2ncccc12	806810575	WTXUOIDVQSIGON-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N2CCN(C)CC2)c(Cl)c1C	807382430	CICGBYHYRUEQOY-UHFFFAOYSA-N	324.812	1.559	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cccc(F)c1C#N	807371178	DELQDIZBWNIDSF-UHFFFAOYSA-N	323.324	1.248	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNc2nccnc2C2CCC2)nn1	805463327	SQEBHAMQVBIINQ-UHFFFAOYSA-N	315.381	1.848	50	20	DDGD	
CC(C)[C@H]1CN(CC(=O)NNC(=O)c2ccccc2)CCCO1	293135657	NEIDSRSLECSAIS-OAHLLOKOSA-N	319.405	1.195	50	20	DDGD	
COC(=O)N(C)NC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1	804124370	STOZUMSYOLNQHJ-JTQLQIEISA-N	315.370	1.409	50	20	DDGD	
Cc1ccccc1-n1cc(C=NNC(=O)c2ccncc2)nn1	807940370	JAFVNWNNLFFILD-UHFFFAOYSA-N	306.329	1.735	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCN(C)C(C)(C)C1	808005989	OGLGLHAIBCFEQZ-UHFFFAOYSA-N	312.845	1.905	50	20	DDGD	
CCn1cc([C@@H](C)NC(=O)NNc2ccc(OC)cn2)cn1	297447595	QGNYLYAEMWFNHE-SNVBAGLBSA-N	304.354	1.694	50	20	DDGD	
COCCOCCN(C)C(=O)/C(C#N)=C\c1ccc(F)cc1	291869526	ILNPDUOGRPLNBS-KAMYIIQDSA-N	306.337	1.854	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H](F)C(F)(F)F	290085951	VMMZDDUMTMMEKW-LLVKDONJSA-N	322.258	1.676	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)NC(=O)C(C)(C)C)c(O)c1	299080605	ZMIDWOZLAOLELP-SNVBAGLBSA-N	321.377	1.012	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-]	296065479	DCFNBBMRDZPVLK-UHFFFAOYSA-N	321.211	1.957	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@@H]1CCn2cncc2C1	805463266	QNEAONZNCGDUKC-GFCCVEGCSA-N	312.377	1.646	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1cnc(N2CCCC2)nc1	815000239	HJDWNRYGXDPHFF-UHFFFAOYSA-N	311.349	1.049	50	20	DDGD	
O=C(CCc1ncccn1)NNC(=O)c1cccc2cccnc12	812488334	FEVULSFVHKPEBG-UHFFFAOYSA-N	321.340	1.419	50	20	DDGD	
CN(NC(=O)c1nc(C2CC2)ncc1Br)C1CC1	818096289	SFAGKWZKCTZUEM-UHFFFAOYSA-N	311.183	1.856	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)NN=c1cc[nH]cc1	816011610	UNRFLOQLHDYZGL-ITGUQSILSA-N	318.377	1.060	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNC(=O)CCOc1ccccc1	810594604	KGEGRYKKIBSYDT-UHFFFAOYSA-N	322.364	1.827	50	20	DDGD	
O=C1CC(C(=O)NNc2nc3ccccn3n2)(c2ccccc2)C1	811440079	MOFQFJLNVZJVTF-UHFFFAOYSA-N	321.340	1.473	50	20	DDGD	
CNc1ccc(Cl)c(C(=O)NNC(=O)c2ccccn2)c1	816808370	LRDCFCBRVGCPQR-UHFFFAOYSA-N	304.737	1.852	50	20	DDGD	
Cc1cc(C)c(C(=O)O)cc1C=NNC(=O)c1c[nH]nc1C	814852453	ZLJNRCDVNIWZMB-UHFFFAOYSA-N	300.318	1.797	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1ccc(Br)cc1F	816631406	QJJDQAMXBQAHHL-UHFFFAOYSA-N	300.091	1.463	50	20	DDGD	
CC(C)C(=O)Nc1cc(C(=O)NNc2cccc(F)n2)ccn1	816654664	SMDDNQUZVJFEMQ-UHFFFAOYSA-N	317.324	1.967	50	20	DDGD	
COc1ccc(CNC(=O)NNc2cccc(Cl)n2)cn1	814271104	IMDMOVCFZDUVRB-UHFFFAOYSA-N	307.741	1.965	50	20	DDGD	
CCCc1[nH]ccc1C(=O)NNC(=O)CNc1ccccc1	817708653	ANQQNBJWKPXADF-UHFFFAOYSA-N	300.362	1.840	50	20	DDGD	
COC1([C@@H](C)NC(=O)NNc2ccc(F)cn2)CCOCC1	817178353	UHEVFRTYFYLGIV-SNVBAGLBSA-N	312.345	1.431	50	20	DDGD	
COc1ccc(F)c(C(=O)NNc2ncncc2F)c1OC	817079585	UXWUTUNJZVCAIF-UHFFFAOYSA-N	310.260	1.529	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)c1cnc(O)c([N+](=O)[O-])c1	816339014	INHRIXUTZRESKK-UHFFFAOYSA-N	322.252	1.600	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NNC(=O)CC2CC2)no1	819122669	DMIKPJSBZUJGSK-UHFFFAOYSA-N	315.329	1.911	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)c2cccnc2F)cc1	813574766	HXLZUVQXUNQVOB-UHFFFAOYSA-N	317.324	1.753	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1csc(C2CC2)n1	727865165	JXTRHUDKRNXMOK-UHFFFAOYSA-N	310.448	1.930	50	20	DDGD	
O=C(NNc1ncccn1)c1cc(F)cc(N2CCOCC2)c1	820934959	KYFFIZFHARSHDE-UHFFFAOYSA-N	317.324	1.209	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cccc(OC(F)(F)F)c1	727971047	MXEXKPHWVLQLJF-UHFFFAOYSA-N	317.267	1.560	50	20	DDGD	
N#Cc1ccc(N2CCC[C@@H]2C(=O)NNC(=O)c2ccc[nH]2)cc1	728170970	WMNUHFVOAKCYOZ-OAHLLOKOSA-N	323.356	1.316	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H]1CN(c2ccc(F)cc2)C1=O	490878564	ONGKCCODELBUQX-ASCRHOAZSA-N	303.293	1.101	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1cccc(C2(C)OCCO2)c1	820327054	DDRBDXVQQNCDEU-OWBHPGMISA-N	316.357	1.966	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc(CN2CCCC2)cc1	729347939	SYGUHCXOSQKJIO-UHFFFAOYSA-N	304.394	1.635	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C	497226289	IFIAAAOYRYPJFJ-NXEZZACHSA-N	301.387	1.339	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccccc1	825681518	KSDYYFOPXJRYDQ-MRVWCRGKSA-N	321.377	1.130	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2c(Cl)cnn2C)o1	824632866	RSTJQGHUDBYEAO-UHFFFAOYSA-N	308.729	1.813	50	20	DDGD	
Cc1oc(-c2ccsc2)nc1CC(=O)NN(C)[C@H](C)CO	823965729	TVTNLMDHMRLBBM-SECBINFHSA-N	309.391	1.598	50	20	DDGD	
COC(=O)N(C)NC(=O)CCOc1ccc(F)cc1Cl	495826953	ZLLZNPKZPMUDFX-UHFFFAOYSA-N	304.705	1.977	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCCC(=O)C2CC2)c(O)c1	825499049	WBNUZFWITLTGGJ-UHFFFAOYSA-N	304.346	1.611	50	20	DDGD	
C[C@H]1SCC[C@@H]1NC(=O)NNC(=O)CCc1ccccc1	827643069	JOJWVPNXVKHJBJ-YPMHNXCESA-N	307.419	1.844	50	20	DDGD	
CNC(=O)NNC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1	728518784	YSBMKKAKWJYRQS-UHFFFAOYSA-N	320.330	1.113	50	20	DDGD	
CCOC(=O)[C@](C)(O)CNC(=O)/C(C#N)=C/c1ccc(F)cc1	490872505	BWBQTWDVPVQGOI-OQRGYWNNSA-N	320.320	1.163	50	20	DDGD	
Cn1cnc(C(=O)NNc2ccc(C(C)(C)C)cc2)cc1=O	821798261	XZTWBSBLFDZULF-UHFFFAOYSA-N	300.362	1.835	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2CCc3ccc(O)cc32)n1	822683219	AGOBZCUFCKCKRA-LBPRGKRZSA-N	315.333	1.504	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(-c2nn[nH]n2)cc1F	821314761	NIYHCLGCJDPLAX-VQHVLOKHSA-N	302.269	1.388	50	20	DDGD	
C=CCN1C(=O)C(=NNC(=O)Cc2cccnc2)c2ccccc21	728784194	AVMHKYJBDTXDOY-UHFFFAOYSA-N	320.352	1.677	50	20	DDGD	
CSC[C@@H]1CCCN(C(=O)/C(C#N)=C/c2cnn(C)c2)C1	491127155	AKUJRNYVNUAUKO-CHJAJTDHSA-N	304.419	1.929	50	20	DDGD	
C[C@@H](C[C@@H](O)c1ccc(F)cc1)NCc1cccc(B(O)O)c1	585035040	PBBLFVZTGMNMRL-YVEFUNNKSA-N	317.169	1.107	50	20	DDGD	
Cc1ccc([C@H](C)NCC(=O)NNC(=O)C(C)C)cc1[N+](=O)[O-]	828704953	VWMURHCERRLDAF-NSHDSACASA-N	322.365	1.357	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCN(C(=O)C2CC2)C1	491006583	DTSCFLQQUVNOSS-ZROIWOOFSA-N	311.341	1.337	50	20	DDGD	
COCCOCCCNC(=O)/C(C#N)=C\c1ccc(F)cc1	490848227	ZTKXLHPSQKHQCD-KAMYIIQDSA-N	306.337	1.902	50	20	DDGD	
COc1cccc(CC(=O)NNc2cccc(-c3nn[nH]n3)c2)c1	826215499	QEOKKJWOFHRABW-UHFFFAOYSA-N	324.344	1.561	50	20	DDGD	
Cc1ccc(C)c(C2=NO[C@H](C(=O)NNC(=O)C3CCC3)C2)c1	900659206	LNZDTNHMLYTNDD-HNNXBMFYSA-N	315.373	1.744	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)c1cccc(O)c1	822845628	UNOJNXJTYRKADG-UHFFFAOYSA-N	321.377	1.096	50	20	DDGD	
CN1CCC[C@H]1c1cc(C(=O)NNC(=O)C2CCCC2)n[nH]1	827720823	OXHHJRIATFXQFH-ZDUSSCGKSA-N	305.382	1.128	50	20	DDGD	
NC(=O)c1cn(CC(=O)NNc2ccccc2)c2ccccc12	732265648	UMXUMEGSPDGTPC-UHFFFAOYSA-N	308.341	1.884	50	20	DDGD	
CSc1nc(C(C)C)nc(C)c1C(=O)NN(C)[C@H](C)CO	823977219	RBMRNYPEEUWCMB-SECBINFHSA-N	312.439	1.588	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)NC2CC(=O)C2)c1C	908474352	TXCVRLCPQRHNQD-VGOFMYFVSA-N	315.373	1.506	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1nnc2ccccc2c1O	732259980	MLLIIRDPLVRXIQ-UHFFFAOYSA-N	304.306	1.505	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)C(C)C)c1ccc(OC)cc1	828629589	RBYSINCGAWXFKN-CQSZACIVSA-N	307.394	1.539	50	20	DDGD	
CN(CCNC(=O)NNc1cc(F)c(F)cc1F)C1CC1	734668322	DQKSXNMZRDAMJC-UHFFFAOYSA-N	302.300	1.824	50	20	DDGD	
CC(C)(C)CCC(=O)OCC(=O)NNC(=O)c1ccccc1	738810046	QSDMWIPOMAIFQZ-UHFFFAOYSA-N	306.362	1.817	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(Cl)c3c(c2)OCCO3)ncn1	734255477	IGVJLRYUGAYWQH-UHFFFAOYSA-N	320.736	1.967	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CC(C)(C)C[C@@H]1C	839658645	POPVICJKPLOBPP-AWEZNQCLSA-N	317.433	1.805	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1C[C@@H](C)n2ccnc21	836191133	AFOWTSJPKJYOTA-DGCLKSJQSA-N	313.361	1.842	50	20	DDGD	
O=C(NNc1cccnn1)[C@@H]1CC(=O)N(C2CCCCC2)C1	736702337	OIZLNRFUFIBPRV-LLVKDONJSA-N	303.366	1.101	50	20	DDGD	
CCCn1nccc1C(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	830493266	XDZDVYWNDLDTOJ-UHFFFAOYSA-N	319.321	1.967	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNc1ccc2ccccc2n1	839721137	OCJLTULLENSHLO-GFCCVEGCSA-N	300.362	1.826	50	20	DDGD	
O=C(NN=Cc1cnn(Cc2ccccc2)c1)[C@@H]1CCCCO1	834989368	RTXYKTHHDKLVSE-INIZCTEOSA-N	312.373	1.951	50	20	DDGD	
CN(C)C(=O)c1cccc(C=NNC(=O)NC2CCCC2)c1	901177405	RPDGWTUNDMRVAY-UHFFFAOYSA-N	302.378	1.964	50	20	DDGD	
CNC(=O)C[C@@H](C)NC(=O)NNc1ccc(OC(F)F)cc1	838696865	IPTLZWULLZLYHI-MRVPVSSYSA-N	316.308	1.439	50	20	DDGD	
CN(CC(=O)NNC(=O)CC1CC1)c1nc2ccccc2s1	832913216	YAPOACMNIJFMFL-UHFFFAOYSA-N	318.402	1.680	50	20	DDGD	
C=CC(=O)N(CC)CC(=O)NNC(=O)C(C)(C)c1ccccc1	900635498	UOZXXGDUPYCIOE-UHFFFAOYSA-N	317.389	1.146	50	20	DDGD	
CCNC(=O)C(C)(C)CNC(=O)[C@@]1(C)C[C@@H]1Br	907083799	DLLJEBUFKOCLJG-UFBFGSQYSA-N	305.216	1.438	50	20	DDGD	
CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)c1cccc(OC(F)F)c1	900561424	IYNDOGJPPITLQA-LDYMZIIASA-N	316.304	1.456	50	20	DDGD	
CCCCn1ncc(NC(=O)NNC(=O)[C@@H]2CCCCO2)c1C	836472776	HPGMCHGKNHYSCY-ZDUSSCGKSA-N	323.397	1.713	50	20	DDGD	
CC(=NNC(=O)NC(C)C)c1cn(CC(=O)OC(C)(C)C)nn1	834951148	QKTIGCOWJOJBIE-UHFFFAOYSA-N	324.385	1.051	50	20	DDGD	
N#Cc1cccc(C=NNC(=O)COc2ccccc2C#N)c1	839397281	AXCUMAIBWMGTMJ-UHFFFAOYSA-N	304.309	1.959	50	20	DDGD	
CO[C@@H](C1CC1)[C@H](C)NC(=O)NNc1ncc(F)cc1F	838702692	UNTHFZPBNAQIHS-WRWORJQWSA-N	300.309	1.799	50	20	DDGD	
C[C@H]1CC[C@@H](CNC(=O)NNC(=O)c2cccc(Cl)c2)O1	838738819	GQMVVKCNLOJSJV-CABZTGNLSA-N	311.769	1.852	50	20	DDGD	
CC(C)(NS(=O)(=O)c1ccc(CCCCl)cc1)C(=O)O	737599050	LMWBMZRVRUCCOD-UHFFFAOYSA-N	319.810	2.000	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCCOCC1CC1	731046148	OFCRMHAYQZPCHF-UHFFFAOYSA-N	305.378	1.376	50	20	DDGD	
COc1ccnc(NNC(=O)NCCOCC2CCCC2)n1	838730925	OEKPJQYINWTNNU-UHFFFAOYSA-N	309.370	1.318	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNC(=O)OCC(F)(F)F)s1	912596283	CGUYLALFYQXCGP-UHFFFAOYSA-N	311.285	1.622	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C	748615249	PDXZIHDZPCETTA-UMSGYPCISA-N	315.414	1.193	50	20	DDGD	
COc1ccc(C(=O)NN(C)C[C@H](C)O)cc1OC1CCCC1	910151900	KMLBDDCBADCZOJ-LBPRGKRZSA-N	322.405	1.974	50	20	DDGD	
CC(=NNC(=O)c1ccc(-n2cnnn2)cc1)c1cccs1	916349344	BDOJERUFHVLFJZ-UHFFFAOYSA-N	312.358	1.878	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)Nc2cc(N(C)C)ncn2)n1	841703920	XMALSMCMZGFOMQ-UHFFFAOYSA-N	322.760	1.443	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@H]1COc2ccccc2O1)c1ccco1	741515104	SAFQERXABNWVGE-IINYFYTJSA-N	316.313	1.371	50	20	DDGD	
C=CCOc1ccccc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843640600	CUZYMMPRVHAKJV-VXGBXAGGSA-N	304.346	1.437	50	20	DDGD	
O=C(CNC1(C2CCC2)CC1)NNC(=O)c1ccc(F)cc1	844417729	MICHRHFEYKUOIU-UHFFFAOYSA-N	305.353	1.509	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(C)n1C(C)C	843971999	DGQQJEKAFSGMAT-CHWSQXEVSA-N	307.394	1.872	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCC(C1CC1)C1CC1	747584667	UZGBZNYOGAKRGO-UHFFFAOYSA-N	302.378	1.391	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)Nc1nnc(C2CC2)s1	918541015	GDUDFQVWCQXFFH-UHFFFAOYSA-N	319.346	1.588	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H](C)C(F)(F)F	743282568	OBLCNLMNUGCTKP-VIFPVBQESA-N	318.295	1.974	50	20	DDGD	
C[C@@]1(C(=O)N2CCN(C(=O)C3CC3)C2)C[C@@H]1Br	911193855	IKVBBXRNVQCXET-JOYOIKCWSA-N	301.184	1.198	50	20	DDGD	
CC1(NC(=S)NNC(=O)COc2ccccc2C#N)CCC1	840701295	IXOSZXHVEDFZEY-UHFFFAOYSA-N	318.402	1.375	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=C1C[C@@H](C)n2ncnc21	841614253	IYUZAYOBFNDTML-VXGBXAGGSA-N	304.398	1.185	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)N[C@H]1CCCN2CCCC[C@@H]12	847444583	IQYYDDJEQXJCNL-STQMWFEESA-N	310.442	1.770	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCCOC[C@H]2CCOC2)n1	740920648	LTIBQOBIZNDBLM-CYBMUJFWSA-N	323.397	1.163	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)[C@@H]1Cc2ccccc21	742061505	ALVLAWUNFHCKPC-CYBMUJFWSA-N	307.313	1.915	50	20	DDGD	
O=C(NCCCCC1CCCC1)NNC(=O)c1ncccn1	841579048	FSKPUJNAFSUHTQ-UHFFFAOYSA-N	305.382	1.781	50	20	DDGD	
CC(=O)NCC(=O)NNC(=O)c1ccc(OCCC(C)C)cc1	913524764	GIZVEGNKOSWHLR-UHFFFAOYSA-N	321.377	1.009	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)CCc1ccccc1Cl	849387835	XQHZMSMEBXAVQZ-UHFFFAOYSA-N	319.814	1.378	50	20	DDGD	
N#Cc1cccc(NNC(=O)CSc2nnc(S)s2)c1	748046620	XZGRHKBBZYWNGW-UHFFFAOYSA-N	323.428	1.934	50	20	DDGD	
Cc1ccc2cccc(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)c2n1	843651796	OXDCRIZFKCAFJH-DGCLKSJQSA-N	313.357	1.729	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)NCC2(C#N)CCC2)c1	842198328	IIAGMHURGKDDGI-UHFFFAOYSA-N	322.390	1.410	50	20	DDGD	
CC[S@](=O)c1ccccc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843973298	HTVTZOFIHFDLTC-RUYXUOGBSA-N	324.402	1.000	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1ccc(Br)cc1	744817811	PGOPLIIZNGPXKL-UHFFFAOYSA-N	324.178	1.568	50	20	DDGD	
O=C(NNC(=O)c1cnc(F)c(Br)c1)NC1CC1	847392398	VOBICKXTKIVJRA-UHFFFAOYSA-N	317.118	1.090	50	20	DDGD	
CN(C)C(=O)c1cccc(NC(=O)NNC(=O)C2CCCC2)c1	920934521	SIOWSYJNAQUNLP-UHFFFAOYSA-N	318.377	1.731	50	20	DDGD	
CN(CCN(C)C1CC1)C(=O)NC[C@@]1(C)C[C@H]1Br	856951752	BYWCCKJIWQKZAF-DGCLKSJQSA-N	318.259	1.896	50	20	DDGD	
CCCc1csc(NC(=O)NNC(=O)c2ccccn2)n1	757923137	LDMJWFHGPFTXCB-UHFFFAOYSA-N	305.363	1.957	50	20	DDGD	
CC(=NNC(=O)Cc1nc2ccccc2n1C)c1cnn(C)c1	920827462	MKXDSOBLWLLLGP-UHFFFAOYSA-N	310.361	1.390	50	20	DDGD	
CC[C@H]1CC(=NNC(=O)CCCNC(=O)C(C)(C)C)CCO1	853407218	KQKHYEWLDRPWSX-ZDUSSCGKSA-N	311.426	1.990	50	20	DDGD	
CCn1ccnc1[C@@H](C)NC(=O)NNC(=O)c1cc(C)cs1	858519608	GZXHJNZPUGJHTA-SNVBAGLBSA-N	321.406	1.978	50	20	DDGD	
CN(C)C1CCN(CCNC(=O)NNc2ccc(F)cc2)CC1	759584962	JSKIQHBGASFSTM-UHFFFAOYSA-N	323.416	1.478	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)C(=O)Nc1c(C)c(C)nn1C	850585945	GGAKVPVTEDIHLX-UHFFFAOYSA-N	319.340	1.566	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1C	852395108	ZZUVXMOUDDEVPM-DZGCQCFKSA-N	319.405	1.601	50	20	DDGD	
C[C@@]1(CNC(=O)NCc2ccc(O)nn2)C[C@@H]1Br	856907668	CWYUWXTUFJQFIT-KWQFWETISA-N	315.171	1.155	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(Cn2cccn2)cc1	756243517	WJADAOJBCJLIEB-UHFFFAOYSA-N	317.349	1.121	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)O1	756982230	CDRCQARYLLCNAF-KBPBESRZSA-N	320.393	1.863	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)c1cc2occc2[nH]1	750864838	MENVQJMSMQUERL-UHFFFAOYSA-N	315.285	1.307	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@@H]1CCCN1CC(F)(F)F	926514525	XAHZOAMMAIVWLD-VIFPVBQESA-N	324.347	1.390	50	20	DDGD	
CCC(F)(F)C(=O)NNC(=O)c1ccc(OC)c(OC)c1	854179535	CNRZYRGBZHNGPF-UHFFFAOYSA-N	302.277	1.510	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)C1(C(=O)NC2CC2)CCC1	757406091	LHHKLUMIPSYTGE-UHFFFAOYSA-N	308.769	1.049	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)[C@H](Br)C(C)(C)C)C(N)=O	925089134	NOCATXNROPETDF-CIUDSAMLSA-N	307.232	1.812	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@@H]2CCc3cc(F)ccc32)n1	857132609	LLFOWWPNGVSPSZ-CYBMUJFWSA-N	315.352	1.855	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1	927896109	OXZDQOQETSUJRW-YLSINNKHSA-N	323.393	1.946	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNc1cccc(C(=O)OC)c1C	854111628	FMFXQBDHPIHVLW-KGLIPLIRSA-N	319.361	1.751	50	20	DDGD	
C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NNc1ncc(Cl)cn1	856878717	ZGUMGVBLFBZPDT-KWQFWETISA-N	310.789	1.239	50	20	DDGD	
CN(Cc1nc[nH]n1)C(=O)NC[C@@]1(C)C[C@@H]1Br	856897200	KVFHXNGLRZVTNY-OIBJUYFYSA-N	302.176	1.120	50	20	DDGD	
C[C@@H](C(=O)OC[C@@H](CBr)C1CC1)S(C)(=O)=O	859510794	ZNERRPDBQVMTFZ-IONNQARKSA-N	313.213	1.384	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cccc(C(=O)N2CCCCC2)c1	756086738	DAAVGAAGNWCREN-UHFFFAOYSA-N	318.377	1.875	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=S)NC[C@@H]1CCCCO1	758219183	HZEMUIWNMLWOOP-AWEZNQCLSA-N	321.446	1.684	50	20	DDGD	
O=C(NCC1CC=CC1)NNc1ncc(Br)cn1	858720526	DGUXLEYDGIHJIQ-UHFFFAOYSA-N	312.171	1.831	50	20	DDGD	
O=C(NNc1ccncn1)[C@@H]1COc2ccc(Cl)cc2C1	857520279	TUNUKWVTQIBHFO-JTQLQIEISA-N	304.737	1.824	50	20	DDGD	
CC(C)Oc1ccccc1C(=O)NNC(=O)Cc1cc[nH]n1	755288700	KMUYHEBDNAKVSZ-UHFFFAOYSA-N	302.334	1.201	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1cccc2c1OCCO2	756149748	KAJLYZZCXDUPKJ-UHFFFAOYSA-N	316.317	1.263	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](C)c1ccccc1C	933398510	NEBKQVHGIVXSLF-GFCCVEGCSA-N	319.405	1.551	50	20	DDGD	
COc1ccc(CC(=O)NC[C@]2(C)C[C@@H]2Br)nc1	857387717	MBQQTQGGFUGWCK-AAEUAGOBSA-N	313.195	1.922	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@]2(C)CCOC2)c1C	754358831	PBFAKBYFBTTYNJ-DYVFJYSZSA-N	320.389	1.645	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCc1nnc2n1CCCC2	867177437	TUMFEQUEBBNJSR-UHFFFAOYSA-N	320.846	1.299	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(Br)ccc1CC	930731452	ALSDZYMRJQUCQL-UHFFFAOYSA-N	314.183	1.975	50	20	DDGD	
Cc1cn2ccnc(C(=O)NNc3ncccc3Cl)c2n1	762871536	SKBALXFLSSCTGO-UHFFFAOYSA-N	302.725	1.843	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)CNc1ccccc1OC)C1CC1	863853742	OYRGUZBLWRAUAI-HNNXBMFYSA-N	321.377	1.070	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(Cl)c(N(C)C)c1	932742961	WNLVAFFDELSSCA-UHFFFAOYSA-N	314.773	1.595	50	20	DDGD	
C=CCNC(=S)NNC(=O)CSc1ccccc1OC	761187578	DRQVUILOFDVEDZ-UHFFFAOYSA-N	311.432	1.469	50	20	DDGD	
CC(=O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)C(C)C)c1	761885422	FGYCYPACHZPZDJ-UHFFFAOYSA-N	318.782	1.508	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNc2cc(C#N)cc(Cl)n2)n1	867139484	ZDZCGTQHGDNASF-SECBINFHSA-N	318.768	1.891	50	20	DDGD	
O=C(NCCC[C@H]1CC1(Cl)Cl)c1ccc(B(O)O)cc1	863886698	KBQZZXNGMFDTEB-JTQLQIEISA-N	315.993	1.070	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)c2cn[nH]c2)c(C)c1	862473126	FKUUQIJBHVKNHM-UHFFFAOYSA-N	302.334	1.257	50	20	DDGD	
C=CCC[C@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1	862460434	GMGKPVXFGPIVBB-UONOGXRCSA-N	315.373	1.162	50	20	DDGD	
Cc1csc(C(=O)NNS(=O)(=O)c2cc(C)oc2C)c1	863413310	FIZOBRZADBZVML-UHFFFAOYSA-N	314.388	1.890	50	20	DDGD	
O=C(Cc1c[nH]c2ncccc12)NNCC(F)(F)C(F)(F)F	863096926	ZRPMUCSFWPVFGK-UHFFFAOYSA-N	322.237	1.924	50	20	DDGD	
CC[C@H](NC(=S)NNC(=O)c1cn[nH]c1)c1cccs1	863204920	NGHWNSIHBZZRHJ-VIFPVBQESA-N	309.420	1.731	50	20	DDGD	
Cc1cc(C)c(NC(=O)C(=O)NNC(=O)C2CCC2)c(Cl)c1	764335452	RGQKHIWLLATBJG-UHFFFAOYSA-N	323.780	1.843	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)c1cc(-c2ccccc2)on1	864660344	ZWAGEXVHFOAFKY-UHFFFAOYSA-N	317.345	1.918	50	20	DDGD	
CN(NC(=O)[C@]1(NC(=O)OC(C)(C)C)CC1(F)F)C1CC1	868962021	KKFPYSQLRMENDK-GFCCVEGCSA-N	305.325	1.414	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1ccc(-n2cncn2)cc1	767411914	VKVMDHHZWWBYEN-UHFFFAOYSA-N	323.360	1.382	50	20	DDGD	
CC[C@@H](CC(F)(F)F)NC(=O)NNC(=O)c1cnn(C)c1	760714189	VASUFLRRELFBGD-QMMMGPOBSA-N	307.276	1.095	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1CCc2c(OC)cccc21	760207025	DCEMFAHIEFPUMM-GFCCVEGCSA-N	307.350	1.049	50	20	DDGD	
CCO[C@@H](CC(=O)NNC(=O)COc1ccc(C)cc1)C(C)C	760282378	BKWINSIDIHNGAR-HNNXBMFYSA-N	322.405	1.972	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H]2CCCNC2=O)cc1	864485517	URQMYJXITNRYKN-ZDUSSCGKSA-N	317.389	1.271	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)CO)c(OCCC)c1	760874731	VYMRBKMSQWCACA-UHFFFAOYSA-N	310.350	1.018	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)[C@H]1C[C@]12CCOC2	764058228	FODFEAARAHXLMP-YGRLFVJLSA-N	301.306	1.001	50	20	DDGD	
COc1cc(O)c(C=NNC(=O)c2cccnc2)cc1OC	768357527	MTUQOBYXVMZPMK-UHFFFAOYSA-N	301.302	1.568	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@H]1CCc2ncncc2C1	863102690	SNBWPPHULOPLAD-ZETCQYMHSA-N	324.253	1.400	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1Cc2ccc(O)cc2C2(CC2)C1	1117801462	ORJRJKRFEXHYMK-UHFFFAOYSA-N	317.389	1.043	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)C1(C)COC1	873853937	PHSSZGUBZFGYHQ-UHFFFAOYSA-N	307.419	1.912	50	20	DDGD	
COc1cc(C(=O)NNc2ccn(C)n2)cc2c1O[C@H](C)C2	1117984933	CNXMRIVYWQDZRL-SECBINFHSA-N	302.334	1.509	50	20	DDGD	
N#CC1=CCN(C(=O)c2ccc(CN3CCOCC3)o2)CC1	879345668	WTYPHNQIADORGR-UHFFFAOYSA-N	301.346	1.408	50	20	DDGD	
CC1(C)CC(NC(=O)NNC(=O)C2CCNCC2)CC(C)(C)C1	1117964930	FUWKNTVREXVDPD-UHFFFAOYSA-N	324.469	1.921	50	20	DDGD	
CCC(CC)[C@H]1C[C@@H](NC(=O)NN(C)C(=O)OC)CCO1	875465809	DHNCEBAYDLMKSZ-NWDGAFQWSA-N	301.387	1.883	50	20	DDGD	
CCC[C@H](CC)C(=O)NNC(=O)[C@H]1COc2ccccc2O1	873751538	STNUOMKATMKSPH-SMDDNHRTSA-N	306.362	1.800	50	20	DDGD	
C=C(CN(C)C)C(=O)NNC(=S)Nc1ccccc1OC	873769088	JVNIXKLBKXEAMB-UHFFFAOYSA-N	308.407	1.131	50	20	DDGD	
COCCOCC(=O)NN=C(C)CN1Cc2ccccc2C1	872401549	ZHXDUMRMNFTAAI-UHFFFAOYSA-N	305.378	1.157	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)c2ccc(Cl)nc2)c(C)c1	779884044	UFBSLFQDKGKVKZ-UHFFFAOYSA-N	304.737	1.822	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](C)c1ccc([S@@](C)=O)cc1	875423410	MQMOOSGRHLDDNC-JLTPVHFHSA-N	313.379	1.397	50	20	DDGD	
CSSCCNC(=O)N=c1c(C)c[nH]cc1[N+](=O)[O-]	879218047	KRJPEJMJPHAHCE-UHFFFAOYSA-N	302.381	1.853	50	20	DDGD	
Cc1ccc(F)c(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)c1	772073818	DHCHLKKKVGRQFU-NSHDSACASA-N	324.352	1.873	50	20	DDGD	
COc1cc(C)ccc1CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	1118123858	RFKUECBIIWCZCI-YPMHNXCESA-N	321.377	1.259	50	20	DDGD	
CO[C@@H](C)c1noc(CN2CCCN(C(=O)CCl)CC2)n1	1116439408	YODLUVZSGJPMLV-JTQLQIEISA-N	316.789	1.050	50	20	DDGD	
CCOc1cccc(CCC(=O)NNC(=O)C2CCOCC2)c1	883072409	LBJMDDDSZXTURZ-UHFFFAOYSA-N	320.389	1.592	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(F)c(F)c(F)c1F	880679565	KYFVEHBTIXRKAK-UHFFFAOYSA-N	309.219	1.432	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)NC(C)(C)C)cc(Cl)n1	777769658	MSKVTFVLAJAGSE-UHFFFAOYSA-N	300.815	1.951	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@@H]1CCc2ccc(F)cc21	883345934	NKMSDUHBVDJZJW-CQSZACIVSA-N	321.352	1.570	50	20	DDGD	
NC1CC2(C1)CC(NC(=O)NNC(=O)c1ccccc1F)C2	1120584427	IQJHPSWCTFOEKI-UHFFFAOYSA-N	306.341	1.040	50	20	DDGD	
COc1ccc(NC(=O)NN=c2cc[nH]cc2)cc1[N+](=O)[O-]	782066028	WDLKXJYUACGTGM-UHFFFAOYSA-N	303.278	1.569	50	20	DDGD	
Cc1cc(C2CCN(S(=O)(=O)CCCCl)CC2)n[nH]1	882055364	MZQOIDDSBVLMML-UHFFFAOYSA-N	305.831	1.856	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@H]1CC(=O)c2ccccc21	789901763	WVYSIDWIUAQMCZ-VIFPVBQESA-N	300.236	1.456	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CSCC(F)(F)F)cc1O	882049628	CSALBAZRMTWRIA-UHFFFAOYSA-N	322.308	1.757	50	20	DDGD	
C[C@@H](COCC(=O)NNC(=O)C1CCOCC1)c1ccccc1	883071593	GPPQLHCYWQRYRE-ZDUSSCGKSA-N	320.389	1.381	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1ccc2c(c1)C(C)(C)C(=O)N2	785457629	CCLRQCRFAUQTFO-UHFFFAOYSA-N	303.362	1.527	50	20	DDGD	
NC(=O)Nc1ccc(C(=O)NNc2ncncc2Cl)cc1	781830105	LAIQODCREJHWHO-UHFFFAOYSA-N	306.713	1.378	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ccccc2Cl)cn1	784780368	RSMKFBKPRAUPDB-UHFFFAOYSA-N	320.736	1.825	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C2CC2)cnc1Br	788137900	FYNVNHCHYDUIAM-UHFFFAOYSA-N	314.139	1.024	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2ccc(OC(F)F)cc2)C(=O)O1	896338167	BMNIMGFHVNCVTQ-OIBJUYFYSA-N	315.276	1.618	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)CCCc2ccccc2)C(=O)O1	896340546	YOSUFSMATWOMRH-WCQYABFASA-N	319.361	1.044	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1ccc(C(=O)OC)c(C)c1	899335392	BJHJJSXKUHNGIQ-UKTHLTGXSA-N	303.314	1.878	50	20	DDGD	
NC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)c2cccc(Cl)c2)C1	786687920	PEHSZTMGAXSDDR-VHSXEESVSA-N	323.780	1.393	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNC(=O)C2CCC2)ccc1F	782556654	ZNXYVNQDUIAJBW-UHFFFAOYSA-N	309.297	1.565	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccnc(C3CC3)c2)cc1	783044973	WCBABKHYQCPANF-UHFFFAOYSA-N	306.325	1.905	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)nc(C)n1	795113471	ONIFZOBPNOTINH-IBHVXFMWSA-N	310.401	1.931	50	20	DDGD	
Cn1cc(C(=O)CCC(=O)NNc2ccc(F)cc2F)cn1	793706156	JWQFDTOLVBUDIY-UHFFFAOYSA-N	308.288	1.805	50	20	DDGD	
COc1cc(C)cnc1C(=O)NNC(=O)c1cccc(C)n1	794089268	DNPXYIJPYHSLFF-UHFFFAOYSA-N	300.318	1.177	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)Cc2ncccc2F)c1	792301914	UAVVILRPURLOOV-UHFFFAOYSA-N	323.349	1.310	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@H](C)NC(=O)OC(C)(C)C	792241485	MCPHAALJJJFFOS-JTQLQIEISA-N	316.402	1.276	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NN=C(C)c2ncc[nH]2)n[nH]1	790166317	CVAFTQAUQROMQU-UHFFFAOYSA-N	324.344	1.962	50	20	DDGD	
CSSCCNC(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O	790881458	DTWBPNQLPIJKSD-BDAKNGLRSA-N	314.498	1.461	50	20	DDGD	
N#CC1(CNC(=O)NNC(=O)CSc2ccccc2O)CC1	797583336	TUROOZLOPABLRF-UHFFFAOYSA-N	320.374	1.118	50	20	DDGD	
Cc1cccnc1NNC(=O)CNC(=O)Cc1cccc(F)c1	791216190	KGXGYSJWDXARJW-UHFFFAOYSA-N	316.336	1.331	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2F)n1	797241415	CCEWUJANWOFIEQ-UHFFFAOYSA-N	318.264	1.512	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)Nc1cc(Br)ccn1	794337400	QZQZAKYZBRMLIX-UHFFFAOYSA-N	308.139	1.810	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)C(C)(C)C)CC2(CCOCC2)O1	790507904	GHMKBTLJAKKJPN-NSHDSACASA-N	313.398	1.043	50	20	DDGD	
Cc1ncncc1C(=O)NNC(=O)Cc1ccc2ccccc2c1	1317891601	BEOBEDFLQMWDTM-UHFFFAOYSA-N	320.352	1.942	50	20	DDGD	
CC[C@H](C)n1ncc(NC(=O)C(=O)NNc2ncccn2)c1C	1326289134	VXJJSMPNABXLPZ-VIFPVBQESA-N	317.353	1.034	50	20	DDGD	
CCS(=O)(=O)CC(C)=NNC(=O)CCN1CCC(C)CC1	1321815859	WLFHGTIBYDCSRT-UHFFFAOYSA-N	317.455	1.035	50	20	DDGD	
Cc1noc(-c2ccccc2C(=O)NNC(=S)NC(C)C)n1	1329555968	OIZUHKGVLCQJRD-UHFFFAOYSA-N	319.390	1.562	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1CC	1326648474	SHWCCNCJQAZXDC-ABAIWWIYSA-N	304.390	1.997	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cnc3[nH]cnc3c2)cc1	1324575837	AESFCDXRDKVZIT-UHFFFAOYSA-N	311.301	1.041	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CCO)c(C(F)(F)F)c1	1330744667	HMINMWUSSIDSRM-UHFFFAOYSA-N	321.255	1.249	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@]2(OC)CCSC2)c1	1334440664	MMKMCSZBTZZKNU-AWEZNQCLSA-N	310.375	1.438	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2cccc(O)c2O)nn1	1339535419	IOIODXIFQYXHGK-UHFFFAOYSA-N	302.334	1.942	50	20	DDGD	
CC(C)c1nnsc1C(=O)NNC(=S)N[C@@H](C)C1CC1	1347180309	SPXLHUJDRDLDIW-ZETCQYMHSA-N	313.452	1.569	50	20	DDGD	
O=C(NCCCc1ccsc1)NNC(=O)[C@@H]1CCCCO1	1341637822	JEUILCLGCFCVML-LBPRGKRZSA-N	311.407	1.580	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)N[C@@H](C)c1nnnn1C	1346641053	UOVNWVFQTLLWCN-JTQLQIEISA-N	303.370	1.468	50	20	DDGD	
COc1ccc(C(=O)NN=C2C(=O)Nc3c(F)cccc32)cc1	1340124971	BGSFCBZOXFWFTM-UHFFFAOYSA-N	313.288	1.921	50	20	DDGD	
C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)NNC(=O)c1cn[nH]c1	1261791854	CVCLKFQBERRISO-SVRRBLITSA-N	305.260	1.037	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)N[C@@H]1CC12CCNCC2	1261735848	SUVRXUFDOYNKTG-GFCCVEGCSA-N	322.796	1.426	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NOCc1ccc(F)cc1	1349076193	MYPDXVOFBRVCOT-CABZTGNLSA-N	311.313	1.013	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc(C(=O)O)c(Cl)c2)ccc1=O	1600932801	RGVSLORBEJSGBD-UHFFFAOYSA-N	321.720	1.494	50	20	DDGD	
O=C(O)c1cc(NNC(=O)c2csc3cncn23)ccc1F	1608856671	JPMYEJHSVLPIBD-UHFFFAOYSA-N	320.305	1.990	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)c1cnc(C2CC2)nc1	1601557057	PENMSEIWRYXCNI-UHFFFAOYSA-N	316.292	1.948	50	20	DDGD	
N#C/C=C(\c1ccc(F)cc1)N1CC[C@@]2(CC(C(=O)O)=NO2)C1	1601062822	KGQUEICAEUJUCK-HQYNXSMWSA-N	315.304	1.996	50	20	DDGD	
Cc1cc(C#N)cnc1C(=O)NNc1ccc(C(=O)O)cc1F	1600076355	WCKGNJCDKMYASD-UHFFFAOYSA-N	314.276	1.856	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cc(Cl)ncc2F)nc1	1608904085	GNHFQPKQGRKMMK-UHFFFAOYSA-N	310.672	1.724	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2C[C@@H](C(=O)O)c3ccccc32)cn1	1600946669	OAIRDUFZDNECTB-NFEOESJKSA-N	322.324	1.542	50	20	DDGD	
Cc1nc(C(=O)N(c2nc(CC(=O)O)cs2)N(C)C)co1	1607944248	QWSFWLQISLKKTQ-UHFFFAOYSA-N	310.335	1.190	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cccc(CC(=O)O)c2)o1	1611171503	PRFWSPNPFCSEIL-UHFFFAOYSA-N	317.301	1.682	50	20	DDGD	
COCc1nc(C(=O)NNc2cccc(C(=O)O)c2)cs1	1610274168	YGXJFBKEYVILRJ-UHFFFAOYSA-N	307.331	1.745	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@@H]1C=NNC(=O)c1ncccn1	1552763521	VYVUFBSUVCXEEP-NEPJUHHUSA-N	314.349	1.186	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@@H]1C=NNC(=O)c1cc[nH]n1	1552763464	UMDPAXPMYSKZIR-PWSUYJOCSA-N	302.338	1.120	50	20	DDGD	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CC=C(C#N)CC1	1649736573	GKPYVGOSXZXFBK-UHFFFAOYSA-N	310.357	1.891	50	20	DDGD	
C[C@]1(C(=O)NNc2nc3ccccc3[nH]c2=S)CCNC1	1573600455	FIDHDYYZSNVQNX-AWEZNQCLSA-N	303.391	1.735	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccnc(N)c2)c1C	1578878385	WQEUZNYVVJATOW-UHFFFAOYSA-N	300.318	1.516	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@]23CNC[C@@H]2C3)cc1C	1578061242	VPRVAAPOPLQFTN-MEDUHNTESA-N	303.362	1.224	50	20	DDGD	
CC1(C)[C@@H](C(=O)NNC(=O)Cc2ccc(Cl)cc2)C[C@H]1N	1576371162	JTUDNRFVOJNXJV-VXGBXAGGSA-N	309.797	1.403	50	20	DDGD	
O=C(CCCc1cnn[nH]1)NNC(=O)Nc1cccc(F)c1	1577865920	ASDIPZOULDIYRG-UHFFFAOYSA-N	306.301	1.119	50	20	DDGD	
CCN[C@H](C)CNC(=O)NNc1cc(Cl)nc2ncccc12	1577883966	SVIDPEPWTCGVSR-SECBINFHSA-N	322.800	1.907	50	20	DDGD	
CC[C@H](NC)C(=O)NNc1cc(Cl)nc2c1c(C)nn2C	1577172110	KLOBYRPDASXCNN-QMMMGPOBSA-N	310.789	1.371	50	20	DDGD	
COc1ccc(SCCCC(=O)NNC(=O)[C@@H]2CCN2)cc1	1579236117	RHQWGBMCTSWFRF-ZDUSSCGKSA-N	323.418	1.077	50	20	DDGD	
C#Cc1ccc(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)cc1	1588373106	ALCHRYDGAZOZJR-UHFFFAOYSA-N	316.324	1.612	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cc(C(=O)O)sc1C	1588435619	VWNGBIBPYNZAQX-UHFFFAOYSA-N	309.347	1.711	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)Cn1ccnc1)C2	1845163926	BDFWUTVMRTWDAN-GFCCVEGCSA-N	324.812	1.104	50	20	DDGD	
O=C(O)CCSCC(=O)NNC(=O)c1ccccc1Cl	1595064021	RFDCQLONHNKBGY-UHFFFAOYSA-N	316.766	1.309	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1ccnc(C)c1	1599376178	JHFAXGPQFDTFGH-UHFFFAOYSA-N	301.302	1.854	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1cc(C(=O)O)oc1C	1596917093	PQJROOLDAGARKI-GHXNOFRVSA-N	306.318	1.736	50	20	DDGD	
C[C@@H](CC=NNC(=O)CNC(=O)OCc1ccccc1)C(=O)O	1592464252	NAGHDMBOQADFKW-NSHDSACASA-N	321.333	1.126	50	20	DDGD	
C[C@H](Cc1ccc(NC(=O)NNc2ccncn2)cc1)C(=O)O	1592872434	LNDMLSNTJGDSGM-SNVBAGLBSA-N	315.333	1.888	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)C(C)(C)C(=O)O	1594146978	KGWRDDIKDYIBBR-UHFFFAOYSA-N	311.363	1.124	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1cc(-c2nn[nH]n2)oc1C	1591993687	YCVFJHOPPQQVOD-UHFFFAOYSA-N	316.296	1.973	50	20	DDGD	
C[C@H]1CNCC[C@@H]1NC(=O)NNc1ccc(F)c(C(=O)O)c1	1594584931	POPUPWJKOZIXHV-UFBFGSQYSA-N	310.329	1.148	50	20	DDGD	
O=C(NN=Cc1ccc(O)nc1)Nc1ccc(C(=O)O)cc1	1776045801	LVAVWPHJKSNNGD-UHFFFAOYSA-N	300.274	1.641	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=Cc1cc(Cl)ncc1C(=O)O	1776101851	APUHZDWRDUZXFB-PSASIEDQSA-N	311.725	1.308	50	20	DDGD	
O=C(NNC(=O)c1ccc2ccccc2n1)c1cncc(F)c1	164071614	LKXOQZUTKBRPLD-UHFFFAOYSA-N	310.288	1.844	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)COc2ccc(C#N)cc2)[nH]1	157208334	AIGRODHVXYCADU-UHFFFAOYSA-N	312.329	1.343	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1cccc(C(F)(F)F)n1	155812758	BXMSPEZNZOJFBM-VIFPVBQESA-N	321.299	1.985	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1	159828800	AGWBDYVXIAFNAM-FHPPPXCJSA-N	309.410	1.436	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2Cc3cc(F)ccc3O2)nc1	159326261	XTCPPMZXNMKRQH-CYBMUJFWSA-N	303.293	1.676	50	20	DDGD	
CN1CC[C@@H](NS(=O)(=O)c2ccc(CCl)cc2)CC1=O	915000081	DERNAWAMWWNQEG-LLVKDONJSA-N	316.810	1.325	50	20	DDGD	
Cc1nnc(CNS(=O)(=O)c2ccc(CCl)cc2)n1C	393199247	WUKVHBUVMGENOV-UHFFFAOYSA-N	314.798	1.341	50	20	DDGD	
NCCN(Cc1ccccc1)S(=O)(=O)CBr	850587138	QGVVWPPXPHMXGX-UHFFFAOYSA-N	307.213	1.130	50	20	DDGD	
C[C@H](Cl)C(=O)Nc1ccc(N2CCC[C@H](C(N)=O)C2)nc1	1887504122	GCTKOLQSDMXBMS-UWVGGRQHSA-N	310.785	1.349	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1ccc(Cl)c([N+](=O)[O-])c1	258346	CWOATOYTQPRHSK-UHFFFAOYSA-N	320.692	1.718	50	20	DDGD	
Cc1ccsc1C(=O)OCC(=O)NNC(=O)c1ccccc1	3384064	LZQYHXYVZDHCCV-UHFFFAOYSA-N	318.354	1.675	50	20	DDGD	
CCC[C@H](C(=O)NNC(=O)C(=O)NC(C)C)c1ccccc1	8390401	JINLTFMSRUBJPH-ZDUSSCGKSA-N	305.378	1.242	50	20	DDGD	
C[C@@H](NC(=O)c1cccs1)C(=O)NNC(=O)NC1CCCC1	68283665	RQGARFQPVMTJRV-SECBINFHSA-N	324.406	1.139	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCc2ccc(C)cc2)n1	175523676	RQXDCWDNWLYMMD-UHFFFAOYSA-N	315.377	1.971	50	20	DDGD	
CN1CCO[C@H](C(=O)NNc2ccc(Br)cc2)C1	176154668	CKEATTOSTGRGHY-NSHDSACASA-N	314.183	1.223	50	20	DDGD	
COc1csc(C(=O)NNC(=O)Cc2ccc(F)cc2)c1	176421363	QEGBZHDVSMDDNF-UHFFFAOYSA-N	308.334	1.900	50	20	DDGD	
O=C(CCc1nc2ccccc2[nH]1)NNC(=O)Cc1ccncc1	175782385	PGCAAYSGQGFHCI-UHFFFAOYSA-N	323.356	1.281	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cc(-c2ccccc2)no1	103423789	CGUIJFIXTDFVTA-UHFFFAOYSA-N	322.324	1.740	50	20	DDGD	
O=C(NNc1ncccn1)[C@@H]1CCCN(Cc2ccccc2)C1	57155012	LJNWBRCOXCPILJ-OAHLLOKOSA-N	311.389	1.832	50	20	DDGD	
CCO[C@H](C)C(=O)NNC(=O)c1cc2ccccc2cc1O	65513987	KSJNMACMLQDNBH-SNVBAGLBSA-N	302.330	1.731	50	20	DDGD	
CCCOCC(=O)NNc1nc2ccccc2c(=O)n1CC	65582909	FJWJDTDSVFPDQV-UHFFFAOYSA-N	304.350	1.286	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNc1ccccc1)N1CCOCC1	114920710	IEWNSHBGEMDLPX-HNNXBMFYSA-N	306.410	1.670	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNc2cnccn2)cc1OC	119707535	BBQZEIDYNRHYFV-LLVKDONJSA-N	316.361	1.816	50	20	DDGD	
CC(C)(NC(=O)Nc1ccccc1)C(=O)NNc1ncccn1	173846432	YNCTZEMTKRMLMU-UHFFFAOYSA-N	314.349	1.520	50	20	DDGD	
COCCNC(=O)NNC(=O)c1c(Cl)cccc1Cl	170835801	YMNVAJNMYCTQEK-UHFFFAOYSA-N	306.149	1.584	50	20	DDGD	
CC(=O)CSCC(=O)NNC(=O)c1cccc(Cl)c1	176760418	WJTUMRWLVGQKIU-UHFFFAOYSA-N	300.767	1.423	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCS[C@@H](C)[C@@H]2C)cc1	118419116	ZKBIGYVOJHYIQM-STQMWFEESA-N	321.446	1.582	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc[nH]2)C1(CC)CC	176670428	PVBMRBWOCIYQRN-CHWSQXEVSA-N	322.409	1.943	50	20	DDGD	
CC1=NN(c2ccc(C(=O)NNC(=O)NC(C)C)cc2)CC1	63269031	PNTOWEJSMSBSAB-UHFFFAOYSA-N	303.366	1.625	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)n1C	113424281	MVHMYAYRSRAPTO-UHFFFAOYSA-N	318.352	1.154	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cccc(NC(=O)C2CC2)c1	24607646	OYJRKMQRTWKXEV-UHFFFAOYSA-N	303.362	1.842	50	20	DDGD	
CCOc1cccc(C(=O)NNC(=O)NCC(F)(F)F)c1	60411234	STZAQEPKIZLHEB-UHFFFAOYSA-N	305.256	1.592	50	20	DDGD	
CCC(=O)N1CCC(=NNC(=O)COc2ccccc2F)CC1	64306191	FCDNWSSLDKGQEA-UHFFFAOYSA-N	321.352	1.709	50	20	DDGD	
CCCOCC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	68516554	OJVNBTLYUQBAJU-CYBMUJFWSA-N	308.378	1.645	50	20	DDGD	
Cn1cnc(CNC(=O)NNC(=O)c2ccc3ccccc3c2)n1	125844691	MVUBWYORHXRKES-UHFFFAOYSA-N	324.344	1.113	50	20	DDGD	
C[C@@H](Oc1cccnc1)C(=O)NNc1cc(C#N)cc(Cl)n1	126262967	ASVXRYUWMNMHDY-SECBINFHSA-N	317.736	1.912	50	20	DDGD	
CC(=O)N1CCC[C@@H]1C(=O)NNc1ccc(OC(F)F)cc1	122336567	IHVOKLVRGXLOTP-GFCCVEGCSA-N	313.304	1.742	50	20	DDGD	
O=C1O[C@@H](C(=O)NNc2ccnc(F)c2)Cc2ccccc21	182491059	XTIPROUQTMXJLC-GFCCVEGCSA-N	301.277	1.446	50	20	DDGD	
CC(C)[C@H](NC(=O)c1ccco1)C(=O)NNc1ccncc1	180535767	NWPBARBWNSWJHG-ZDUSSCGKSA-N	302.334	1.572	50	20	DDGD	
Cc1cccc(C)c1NC(=O)C(=O)NNC(=O)c1ccccc1	132802867	COYQRSDCVOWXOQ-UHFFFAOYSA-N	311.341	1.703	50	20	DDGD	
CC(=O)N(C)CC(=O)NNc1ccc(Br)c(F)c1	184269053	DMTMVJKIHMRNRG-UHFFFAOYSA-N	318.146	1.510	50	20	DDGD	
NNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1	193156187	AHUQQFRJUDJDCO-JTQLQIEISA-N	302.161	1.588	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)c2ccnc3c(C(N)=O)cnn23)c1	134713328	ALEVSNKYNNOMGI-UHFFFAOYSA-N	324.344	1.202	50	20	DDGD	
CC1(C(=O)NNc2ccc(S(=O)(=O)C(F)F)cc2)CC1	131201667	UIVLWKXHUFXSMA-UHFFFAOYSA-N	304.318	1.926	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(NC(=O)NC(C)C)cc1	48401337	VVLYCNNRNAYPMF-UHFFFAOYSA-N	308.338	1.607	50	20	DDGD	
O=C(CC[C@@H]1CCCCO1)NNc1nc2ccccc2c(=O)[nH]1	137204992	ZUYCXOPEOLGVJJ-NSHDSACASA-N	316.361	1.716	50	20	DDGD	
CCCCCC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12	44566535	BAHPIVINDJWUIV-UHFFFAOYSA-N	316.361	1.275	50	20	DDGD	
O=C(NCc1nc2ccccc2s1)NNc1ncccn1	42816252	GKVZFAWXQJWMDI-UHFFFAOYSA-N	300.347	1.913	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc([N+](=O)[O-])c2cccnc12	130457202	KUBPFBAKZVGKPG-UHFFFAOYSA-N	303.278	1.059	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1ccnc(F)c1F	193564159	GDVTWLSFHYLVPV-UHFFFAOYSA-N	321.283	1.338	50	20	DDGD	
COc1ccc(-c2nc(C(=O)NNC(=O)N(C)C)cs2)cc1	194928192	XEALJQXBKCUTHL-UHFFFAOYSA-N	320.374	1.735	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)CNC(C)(C)C)cc1OC	144326487	PPJDWOJHZBQASN-UHFFFAOYSA-N	323.393	1.243	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN(CC(F)(F)F)C1)c1ccc[nH]1	194074207	SWNXKGGYNXIDFD-SECBINFHSA-N	318.299	1.050	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(OCCCOC)cc1	267482921	ZCZWQGFXWOFVLX-UHFFFAOYSA-N	323.418	1.397	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)NCc2ccco2)C1	266851915	PQFGNYVTBIUROP-WDEREUQCSA-N	323.349	1.089	50	20	DDGD	
O=C(CCc1nccs1)NNC(=O)COCc1ccccc1	265632110	QKQUBJJNZBUICR-UHFFFAOYSA-N	319.386	1.440	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNC(=O)CC(C)(C)C)(CC1)C2	365220243	FUSATZRQAJXCAT-UHFFFAOYSA-N	310.394	1.694	50	20	DDGD	
C[C@@H]1CN(CCI)C[C@@]2(CCOC2)O1	366584411	XPEBSECLCWMFJV-NXEZZACHSA-N	311.163	1.301	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)CC(C)(C)O)c1C	279688623	FPQDDTCFMHRNEC-GFCCVEGCSA-N	308.378	1.379	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H](c1ccccc1)N1CCCCC1=O	364053788	WPEDOYIFZJWALG-CQSZACIVSA-N	319.361	1.518	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)C(=O)NC(C)C)CCC1	276321886	OUYHQLVELFHYRI-UHFFFAOYSA-N	317.389	1.089	50	20	DDGD	
C[C@H]1[C@H](N2CCCC2)CCN1CCI	367889677	DPQQPLVNHKBIIU-WDEREUQCSA-N	308.207	1.980	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)OC(C)(C)C)cnc1Cl	274098479	RSULMBHZGGYSTD-UHFFFAOYSA-N	321.786	1.761	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1	365915167	HXAALTUKLZSFSP-ZHACJKMWSA-N	319.321	1.399	50	20	DDGD	
O=S(=O)(CBr)NC[C@@H](O)c1ccc(F)cc1	272808822	MQXGYFINYPIPHS-SECBINFHSA-N	312.160	1.131	50	20	DDGD	
NC(=O)CSc1ccccc1NC(=O)NNC(=O)CC1CC1	273355373	UUZFVYOFHTZJTH-UHFFFAOYSA-N	322.390	1.217	50	20	DDGD	
COCCOc1ccc(CC(=O)NNC(=O)CC(C)C)cc1	277206936	JQIKJHYYQSDEQS-UHFFFAOYSA-N	308.378	1.448	50	20	DDGD	
O=C(CN1CCC[C@H]1c1ncc[nH]1)NNC(=O)c1ccccc1	378494596	WWWJHKIDKSPKPV-ZDUSSCGKSA-N	313.361	1.008	50	20	DDGD	
Cc1ccn2ncc(C(=O)NNC(=O)NC3CCCC3)c2c1	271162880	ZODRPKJQFWCYEH-UHFFFAOYSA-N	301.350	1.529	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C1(c2cccnc2)CCCC1	370743113	XNTKBIGSEHAACN-UHFFFAOYSA-N	312.373	1.693	50	20	DDGD	
CC1(O)CN(S(=O)(=O)c2ccc(CCCCl)cc2)C1	281129104	ILUBNTKGRJQVPQ-UHFFFAOYSA-N	303.811	1.613	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	282661514	ICEJJTDHCHFSNE-NSHDSACASA-N	309.391	1.223	50	20	DDGD	
CCCCCS(=O)(=O)CC(=O)NNc1ncccc1F	285915931	INVCOQZPYOPBIZ-UHFFFAOYSA-N	303.359	1.269	50	20	DDGD	
C[C@@H](CN(C)C)NC(=O)NNC(=O)c1cc2ccccc2o1	287956935	HLHLHOKJSAMLIL-JTQLQIEISA-N	304.350	1.327	50	20	DDGD	
O=C(NNC(=O)[C@@H]1OC[C@H]2COCC[C@H]21)c1ccc(Cl)cc1	289366616	NPUJODTYTRWZTC-RAIGVLPGSA-N	324.764	1.153	50	20	DDGD	
Cc1[nH]c2ccccc2c1CC(=O)NNC(=O)[C@@H]1CCCCO1	295371117	JZQCEEPVDBADJM-HNNXBMFYSA-N	315.373	1.735	50	20	DDGD	
CCOC(=O)c1cc(NC(=O)NNc2cccc(F)n2)cn1C	806339159	KXYZIKWMDQIFRS-UHFFFAOYSA-N	321.312	1.885	50	20	DDGD	
O=C(NC[C@H]1CCCN1C1CCCCC1)NNc1ccncn1	297131885	ZUNBBMILZMWUBK-CQSZACIVSA-N	318.425	1.900	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@H]1CCN2CCCC[C@@H]12	298728238	KTDZXYAPUCUXAF-UWVGGRQHSA-N	310.789	1.383	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@@]2(C#N)CC23CCCC3)cc1	294837215	XYCJHKZMGWUMCY-KRWDZBQOSA-N	308.341	1.793	50	20	DDGD	
CCOCC(=O)NN=Cc1c(C)nn(-c2ccccn2)c1C	802710990	GJMDCJYTYYZSKB-UHFFFAOYSA-N	301.350	1.371	50	20	DDGD	
C[C@H]1CCC[C@H]1CNC(=O)NNc1ccc(-n2ccnc2)nn1	805441046	NZJNPSFJVTYDAJ-RYUDHWBXSA-N	315.381	1.725	50	20	DDGD	
COc1ccc(C(C)=O)cc1CC(=O)NNC(=O)OC(C)(C)C	298636515	CMGYGLUUZCXLEO-UHFFFAOYSA-N	322.361	1.996	50	20	DDGD	
CC(=O)c1cc(NC(=O)NNC(=O)c2cnccn2)ccc1F	806576906	JUNDLWUANPUIGM-UHFFFAOYSA-N	317.280	1.285	50	20	DDGD	
COC(=O)NNC(=O)[C@@H](NC(=O)c1cccc(C)c1)C(C)C	298289295	CUTPNJKLYAHGFZ-LBPRGKRZSA-N	307.350	1.137	50	20	DDGD	
O=C(NNc1ncccc1F)NC1CCN(C2CCC2)CC1	297079735	NXZJBWCCLWMREP-UHFFFAOYSA-N	307.373	1.864	50	20	DDGD	
O=C(CCCOc1ccccc1F)NNC(=O)[C@@H]1CCCCO1	295559540	MPGGZSAUFGEYDY-AWEZNQCLSA-N	324.352	1.701	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)o1	802118460	AXWSUTSONVFWMC-UHFFFAOYSA-N	317.349	1.824	50	20	DDGD	
CCOCCCC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802118160	QIFBPDIJSLESQY-UHFFFAOYSA-N	308.382	1.722	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)cc1[N+](=O)[O-]	296154084	JXRJNYPFVZUQTE-LBPRGKRZSA-N	322.321	1.625	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)COC(F)F)c(C)c1	803159102	ZKURUWMJDMKLKM-UHFFFAOYSA-N	303.334	1.860	50	20	DDGD	
O=C(COC(F)F)NNC(=O)NCc1ccc(Cl)cc1	803161575	IKHJNSMTOAVGQU-UHFFFAOYSA-N	307.684	1.410	50	20	DDGD	
CC[C@H](CNC(=O)NNc1ccc2c(O)nccc2c1)OC	291495929	PFIPXKDQENKTQC-GFCCVEGCSA-N	304.350	1.992	50	20	DDGD	
COc1ccc(C)cc1CC(=O)NNC(=O)N=c1cc[nH]cc1	802026739	JMXXNVPJFIIJTF-UHFFFAOYSA-N	314.345	1.216	50	20	DDGD	
CSc1ccsc1C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	294358127	VCEVKHDXTVNPSB-YUMQZZPRSA-N	300.405	1.799	50	20	DDGD	
CC1CCN(C(=O)C(=O)OC[C@@H](C)CBr)CC1	805568749	ZNABWIRSBQFBFE-JTQLQIEISA-N	306.200	1.819	50	20	DDGD	
COC(=O)[C@H](C)CC=NNC(=O)Nc1ccc(C(=O)O)cc1	814222941	XLUBRLMOAKGQHK-SECBINFHSA-N	307.306	1.691	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1ccn(C(C)C)c1C	815679679	QEONJISSIZQXJX-UHFFFAOYSA-N	322.409	1.443	50	20	DDGD	
COc1ccc(OCC(=O)NN=C2COc3ccccc32)cc1	814720176	KMHFVEXVUXNOKT-UHFFFAOYSA-N	312.325	1.987	50	20	DDGD	
O=C(NNC(=O)c1ccc2ccccc2n1)NOC/C=C\Cl	811982389	TXMGXMXGIQBKPG-BAQGIRSFSA-N	320.736	1.863	50	20	DDGD	
CC(=NNC(=O)c1sc(N)nc1C)c1cc(N)ccc1F	814794992	QQCGJALRBDNGNA-UHFFFAOYSA-N	307.354	1.909	50	20	DDGD	
C=C[C@H](O)C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1	816830033	OBQVHEQMHLDAHZ-NSHDSACASA-N	320.345	1.862	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)CC1)c1ccc2ccccc2n1	814682820	RMARDBXPNLYZJW-UHFFFAOYSA-N	317.370	1.529	50	20	DDGD	
COc1ccc(NNC(=O)NCC[C@]2(O)C[C@H]3CC[C@H]2C3)nc1	814346556	CFVXBZCNGAHJFK-MKBNYLNASA-N	320.393	1.658	50	20	DDGD	
O=C(NNc1ncccn1)[C@H]1CSC(c2ccccc2O)=N1	816848728	IQMANIKOGUVJRD-SNVBAGLBSA-N	315.358	1.188	50	20	DDGD	
COC(=O)NCCNC(=O)NNc1cc(Cl)cc(Cl)c1	496317921	BNQVUSMMAZFEKZ-UHFFFAOYSA-N	321.164	1.976	50	20	DDGD	
CC(C)N1CCC[C@H]1C(=O)NNC(=S)Nc1ccccn1	829002652	BNZOZSLNIDQHLX-NSHDSACASA-N	307.423	1.272	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)C[C@@H]1CC[C@H]2C[C@@H]12	822195985	QDOVADMBLIOECL-SDDRHHMPSA-N	306.337	1.788	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCc1ccc2ccccc2c1O	823916972	CAEXAQJVFCXNJF-LBPRGKRZSA-N	302.374	1.822	50	20	DDGD	
O=C(/C=C\c1ccccc1)NN=c1nc(-c2cccnc2)[nH]o1	491724424	AWTDHOQPNNBNIG-HJWRWDBZSA-N	307.313	1.710	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@H](NC(=O)NNC(=O)OC(C)(C)C)C1(C)C	494711179	NKCZAXJPLIQUMU-LPEHRKFASA-N	301.387	1.785	50	20	DDGD	
CCOC(=O)N1CCC(C(=O)NNc2ccc(OC)cn2)CC1	495529466	ZKAVXPAIJJKCIO-UHFFFAOYSA-N	322.365	1.402	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCO[C@H](C(C)(C)C)C2)cn1	491173747	FHXYXWIESBNLBN-GUNGLEHYSA-N	302.378	1.601	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=O)Cc2ccc(Cl)cc2)CC1	822212567	WXTWEFUZSWWZPN-UHFFFAOYSA-N	308.765	1.789	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1	823873728	GVGNNBIIECOIEM-UHFFFAOYSA-N	313.361	1.011	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)c1ccc2ccccc2n1	491544418	LFWDGXFLZBYYMV-UHFFFAOYSA-N	303.325	1.828	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=S)Nc1ccccc1F	728797902	FBHBALFKZMXHQH-UHFFFAOYSA-N	304.350	1.781	50	20	DDGD	
CN(NS(=O)(=O)c1ccc(F)cc1)C(=O)OC(C)(C)C	496204436	FMICDERVVZINHS-UHFFFAOYSA-N	304.343	1.886	50	20	DDGD	
CC(=NNC(=O)NCCNC(=O)OC(C)(C)C)c1ccncn1	497211895	FBFSCOKQWDLURD-UHFFFAOYSA-N	322.369	1.025	50	20	DDGD	
CN(C)CC(C)(C)CNC(=S)NNC(=O)OC(C)(C)C	491074799	DKJPUIRZZUBIKG-UHFFFAOYSA-N	304.460	1.478	50	20	DDGD	
Cc1[nH]nc(C(=O)NNC(=O)CC(C)(C)C)c1Br	728610352	YHEHNWIGBNGDNY-UHFFFAOYSA-N	317.187	1.678	50	20	DDGD	
O=C(NC[C@H]1CCC[C@@H]1c1ccccc1)c1cccc(B(O)O)c1	584995772	REVYMLGXNBXYMM-SJLPKXTDSA-N	323.201	1.680	50	20	DDGD	
C[C@@H](CNS(=O)(=O)CCl)N1CCc2sccc2C1	829921714	VOPGOWFXFBZSOX-VIFPVBQESA-N	308.856	1.610	50	20	DDGD	
CC1=CCN(CCNC(=O)[C@]2(C)C[C@H]2Br)CC1	907386831	YDIZXRAMDHZVRE-DGCLKSJQSA-N	301.228	1.928	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCCc2ccoc2)cc1	822258465	YRJNDNOVXOLESB-UHFFFAOYSA-N	317.345	1.864	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)CCC2CC2)cc1	734611539	LIWDBVYMXHPFLI-UHFFFAOYSA-N	304.346	1.489	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(-c2noc(C(F)F)n2)cc1	497013659	XPJNWUOBFARXLZ-UHFFFAOYSA-N	312.232	1.675	50	20	DDGD	
C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cc(B(O)O)ccc1F	584961358	QXHMEVKMKXUXPP-HZMBPMFUSA-N	307.174	1.450	50	20	DDGD	
CCO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1cccc(C)n1	836438183	UPYBDRAVZKBLTK-DGCLKSJQSA-N	306.366	1.292	50	20	DDGD	
O=C(/C=C\c1ccco1)NNC(=O)c1cnn(-c2ccccc2)c1	733107256	XSPFMKQCQFNCGK-HJWRWDBZSA-N	322.324	1.940	50	20	DDGD	
COC(=O)C1CCC(NC(=O)NNc2ccc(C)nn2)CC1	730131744	ONOHOVFNWNSBKA-UHFFFAOYSA-N	307.354	1.143	50	20	DDGD	
CCCCCCO[C@H](C)C(=O)NNC(=O)[C@H]1CCCCO1	839777466	DYESSKVMWUVKHN-CHWSQXEVSA-N	300.399	1.688	50	20	DDGD	
O=C(NNC(=O)C1CN(C2CCCCC2)C1)c1ccncc1	837305294	RQVFSSYJFZOCPM-UHFFFAOYSA-N	302.378	1.107	50	20	DDGD	
OB(O)c1ccc(CNC[C@H]2CCCC[C@H]2C(F)(F)F)o1	585031508	WJVSSXMYKUBKRK-MWLCHTKSSA-N	305.105	1.418	50	20	DDGD	
O=C(c1ccnc(OC2CCCCC2)c1)N1CC[C@H](B(O)O)C1	585066215	NHYJVGOGOJLGLQ-ZDUSSCGKSA-N	318.182	1.482	50	20	DDGD	
CN1CCCC[C@@H]1C(=O)NNc1cccc(Br)n1	837210687	WWEFHFRCYWYHHM-SECBINFHSA-N	313.199	1.772	50	20	DDGD	
N#Cc1ccc(C(=O)NN=Cc2cc(C(=O)O)ccc2O)cc1	739102029	NOIHOSCSDBXDPU-UHFFFAOYSA-N	309.281	1.726	50	20	DDGD	
CC(C)Oc1ccc(CNCc2ccc(B(O)O)cc2F)cc1	585018370	VMKHCTOVHHBQKU-UHFFFAOYSA-N	317.169	1.583	50	20	DDGD	
Cc1n[nH]cc1C=NNC(=O)c1nn(-c2ccccc2)cc1O	915952913	YQDKTSBCVPLWFF-UHFFFAOYSA-N	310.317	1.373	50	20	DDGD	
COc1cccc([C@@H]2C[C@H]2NC(=O)NNc2ncncc2F)c1	836636398	ANSGKRWDCXLCSU-WCQYABFASA-N	317.324	1.807	50	20	DDGD	
Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NNC(=O)c1ncon1	832825670	CZVWRFGKUPFYMO-GHMZBOCLSA-N	314.345	1.820	50	20	DDGD	
COc1ccc(OC)c(S(=O)(=O)NNC(=O)C(C)(C)C)c1	917744457	ZWDYKNRZKVXZAO-UHFFFAOYSA-N	316.379	1.059	50	20	DDGD	
COCCOc1cc(C)ccc1CNS(=O)(=O)CCl	830833653	JITMTSTVLUWJKA-UHFFFAOYSA-N	307.799	1.636	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@H](C)Oc1ccc(C(F)(F)F)cc1	910159508	IUZDOODFTFAIAK-NXEZZACHSA-N	320.311	1.817	50	20	DDGD	
C[C@H]1CC=C(C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1	838343679	YIXXRABVUUPMBE-LBPRGKRZSA-N	316.357	1.737	50	20	DDGD	
COC(=O)NNC(=O)Nc1cccc(CSCC(=O)O)c1	737642246	ORKVVHJYCBFOSP-UHFFFAOYSA-N	313.335	1.397	50	20	DDGD	
O=C(O)[C@H]1CCC[C@H](C(=O)NNc2ccccc2[N+](=O)[O-])C1	833185591	XWMBTHKIYDVQMJ-UWVGGRQHSA-N	307.306	1.929	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)COc2ccc(F)cc2)CCCCO1	837309861	GQTYDPGNOIMTHI-HNNXBMFYSA-N	310.325	1.311	50	20	DDGD	
Cc1cc(C(=O)NNc2nc[nH]n2)cc(C(=O)OC(C)(C)C)c1	839768406	ASTIBALETRARQE-UHFFFAOYSA-N	317.349	1.825	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C[C@@H](C)OC	749470016	PXKWIKSDPFDHQB-LLVKDONJSA-N	310.350	1.037	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=Cc2ccc(O)cc2)C[C@@H](C)O1	916372216	PBXQHVGDYYSHSS-MELADBBJSA-N	319.405	1.588	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cccc(CO)c1	745485414	MCHAXVMNLOLXLI-UHFFFAOYSA-N	323.352	1.664	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)Cc2ccc(C)o2)cc1	846378487	XVHQEZIXAQIJKN-UHFFFAOYSA-N	302.330	1.989	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CCOC[C@H]1CCCO1	915616560	BJACZNNETSGKQO-CYBMUJFWSA-N	306.362	1.342	50	20	DDGD	
CCNCc1cccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)c1	841310300	LPZNPZQZBCSFMY-AWEZNQCLSA-N	320.393	1.518	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCC(=O)c1ccccc1	843978959	ZTLPDLOGLINXIK-WCQYABFASA-N	304.346	1.222	50	20	DDGD	
CCCCOc1cc(OC)ccc1C(=O)NN(C)C[C@@H](C)O	910161279	UNHLVRRLBMNOBB-GFCCVEGCSA-N	310.394	1.832	50	20	DDGD	
O=C(NC[C@@H]1CC1(Cl)Cl)NNC(=O)c1ccccc1O	915909382	YPFGCIXANPHACO-ZETCQYMHSA-N	318.160	1.530	50	20	DDGD	
O=C(Cn1nnnc1-c1ccsc1)NCC(Cl)Cl	843886423	SAPWFQXIXULLCR-UHFFFAOYSA-N	306.178	1.322	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NN=c1cc[nH]c2ccccc12	846634112	LTZYZMDRMSJVDX-UHFFFAOYSA-N	300.362	1.262	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(OC(F)F)cc1	748259985	NXPVXNFIXLERHJ-SNVBAGLBSA-N	316.304	1.790	50	20	DDGD	
Cn1ncc2c1CCCC2=NNC(=O)COc1ccc(F)cc1	915949212	FJUBOBFUXSWREB-UHFFFAOYSA-N	316.336	1.795	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2ccnc(F)c2)c1	748698629	CQQMUMCCHLOCON-UHFFFAOYSA-N	302.309	1.362	50	20	DDGD	
CCc1ncncc1C(=O)NNC(=O)c1ccc(C)cc1O	743314457	QFWOFMUBKDKQIY-UHFFFAOYSA-N	300.318	1.128	50	20	DDGD	
Cc1nn(-c2ccccc2F)cc1C=NNC(=O)CN(C)C	848405411	JUAYQTBUJZAZTJ-UHFFFAOYSA-N	303.341	1.332	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc(O)c2ccccc12	843971088	OQOFZCIZSZQWLD-ZJUUUORDSA-N	315.329	1.126	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NN=C1C[C@@H](C)n2ncnc21	841611807	BFVVGEGJOZYJGH-ZJUUUORDSA-N	317.324	1.670	50	20	DDGD	
Cc1c(F)cccc1S(=O)(=O)NNC(=O)Cc1cccnc1	743256800	FGMCLJDLKSFRTE-UHFFFAOYSA-N	323.349	1.081	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCC1(S(C)(=O)=O)CCCCC1	849175504	XYYLAXJREGPKCZ-BENRWUELSA-N	314.407	1.294	50	20	DDGD	
Cc1noc(C(F)(F)F)c1C(=O)NNC(=O)c1cccnc1	746093011	JPINGIWNHUKEGK-UHFFFAOYSA-N	314.223	1.472	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCc1cccc(OC(C)(C)C)n1	910165721	LSSSNYFIQGHTFQ-GFCCVEGCSA-N	309.410	1.535	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C[C@H](C)n2ccnc2)ccc1F	846248394	FAUXHSDAEDADQR-JTQLQIEISA-N	320.324	1.903	50	20	DDGD	
Cc1c(NNC(=O)/C=C/c2cnn(C)c2)cccc1[N+](=O)[O-]	748681894	WKPQSIZMZYRYNI-VOTSOKGWSA-N	301.306	1.793	50	20	DDGD	
O=C(NNC(=O)N1CCO[C@H](CF)C1)c1cc2ccccc2o1	841579031	FDJXGBPNPUIFOK-LLVKDONJSA-N	321.308	1.458	50	20	DDGD	
NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1ccc(Br)cc1	847599874	VCGVDKUIYRFDDT-UWVGGRQHSA-N	312.167	1.404	50	20	DDGD	
Cc1c(NNC(=O)NC[C@@H]2CCCNC2)cccc1[N+](=O)[O-]	841923565	LCFBOYKUTPDBRA-LLVKDONJSA-N	307.354	1.529	50	20	DDGD	
O=C(NN=Cc1c(F)cccc1N1CCCC1)c1ncccn1	841662993	QLGLYNCYOZBNCU-UHFFFAOYSA-N	313.336	1.980	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc3c(c2)CC(C)(C)O3)n1	843764303	LQKWYPSGYQZULC-UHFFFAOYSA-N	314.345	1.956	50	20	DDGD	
Cc1cnc2nc(C(=O)NC[C@@]3(C)C[C@@H]3Br)nn2c1	857408396	VVNIUXKOSLYPAC-QPUJVOFHSA-N	324.182	1.336	50	20	DDGD	
CC(=O)N1CCC(C(=O)NC[C@@]2(C)C[C@@H]2Br)CC1	857403902	KJRMBQABQGRJMI-WCQYABFASA-N	317.227	1.535	50	20	DDGD	
CCC(=NNC(=O)COc1ccccc1C#N)c1nccn1C	755541544	YDOUDPZRFYHLAP-UHFFFAOYSA-N	311.345	1.601	50	20	DDGD	
CCOC(=O)N1CCC(C)(C=NNC(=O)c2ccc[nH]2)CC1	853283124	DGAVBPMMMYBBGP-UHFFFAOYSA-N	306.366	1.989	50	20	DDGD	
C[C@@H]1CCC[C@@H](C)C1NCC(=O)NNC(=O)c1cccs1	754121164	AALFNXSGESWLFQ-GHMZBOCLSA-N	309.435	1.923	50	20	DDGD	
CCC[C@@H]1CNCCN1C(=O)NC[C@@]1(C)C[C@H]1Br	857105989	WLRRBRXFRPGKKY-NQBHXWOUSA-N	318.259	1.943	50	20	DDGD	
CCOC(=O)C1(C(=O)NC[C@]2(C)C[C@H]2Br)CC1	857690456	UBUVPGLIOFWDQS-KCJUWKMLSA-N	304.184	1.619	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1cc(C)cs1)[C@@H]1CCCO1	858325052	YWKUQKXRWUHKPB-MNOVXSKESA-N	311.407	1.958	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1ccn(-c2ccccc2)n1	755480476	DZCNHKWXZOWGTK-UHFFFAOYSA-N	323.316	1.129	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(Br)c(C)s1	854927738	QMSDMVHAYXCNAK-UHFFFAOYSA-N	322.253	1.900	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)CC(F)(F)F)cnn1CC(C)C	757800705	CIOFWVGGVLTIKT-UHFFFAOYSA-N	321.303	1.953	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2cc(F)cc(Cl)c2)CCC1	855619887	HAMJRHLZFZFZCV-UHFFFAOYSA-N	320.773	1.890	50	20	DDGD	
O=C(CCCC1CCOCC1)NNC(=O)c1cccc(F)n1	856426598	BHUGDGNWIVADEG-UHFFFAOYSA-N	309.341	1.579	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)C2(O)CCCC2)cc1	920438946	BLYOKICASBYAPZ-UHFFFAOYSA-N	323.418	1.708	50	20	DDGD	
CCOCCCNC(=O)NNc1ccc([N+](=O)[O-])cc1F	853223664	NRVWQLGEEIJTIR-UHFFFAOYSA-N	300.290	1.787	50	20	DDGD	
C[S@](=O)C1(CNC(=O)NNc2ccc(Cl)cn2)CCC1	852306367	METMWAASIXSAEC-FQEVSTJZSA-N	316.814	1.662	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@@H]1CCCc2nn(C)cc21)C1CC1	855096541	CFCCNDDGNQUBOG-MWLCHTKSSA-N	321.450	1.134	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)c1ccccc1)C(=O)OC(C)(C)C	854138563	PCLCXGLHMBDBFU-INIZCTEOSA-N	322.361	1.194	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@H]2CCCCS2)n1	753256167	SFJHGQGXBUNTPU-SNVBAGLBSA-N	311.411	1.705	50	20	DDGD	
O=C(CSCc1ccncc1)NNC(=O)OCC(F)(F)F	856024403	UXSCUBGJPCQEHD-UHFFFAOYSA-N	323.296	1.635	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2ccc(C#N)cc2)c(C)nn1	759377459	BDPRUNCJHPZEMB-UHFFFAOYSA-N	309.329	1.294	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCc1ccc2ccccc2n1	854928005	LXSYJWBDHPBHQH-UHFFFAOYSA-N	302.403	1.635	50	20	DDGD	
CC(C)c1nocc1C(=O)NNC(=O)COCc1ccccc1	859489919	USKTXXJSCDNYNO-UHFFFAOYSA-N	317.345	1.776	50	20	DDGD	
NC(=O)c1ccc(CNC(=O)NNc2c(F)cccc2F)cn1	753941723	XWLYGQNDKICLNA-UHFFFAOYSA-N	321.287	1.285	50	20	DDGD	
COCn1nc(C)c(S(=O)(=O)NCC(Cl)Cl)c1C	867470118	JGCOXEPNGMQULL-UHFFFAOYSA-N	316.210	1.186	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cnn(-c2nc(CC)cs2)c1	762742060	IGAYBDCKAKEESR-UHFFFAOYSA-N	322.394	1.245	50	20	DDGD	
C[C@@H]1CN(C(=O)OC(C)(C)C)CC1=NNC(=O)c1cc[nH]n1	863127268	XJESZIWJXODAJP-SECBINFHSA-N	307.354	1.382	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@@H]1CCN1C1CCCC1	863204639	DXYXSBQKOKTECU-ZDUSSCGKSA-N	310.467	1.299	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1ccnc(F)c1F	863101361	QEXODORNKYTRJF-UHFFFAOYSA-N	305.153	1.792	50	20	DDGD	
C[C@H](NNC(=O)CC1CCC2(CC1)OCCO2)C(F)(F)F	862318627	SATCVQBUJJMKGZ-VIFPVBQESA-N	310.316	1.881	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NNC(=O)NCC1CC1	767325097	VDUNQGASGRVFOH-MRVPVSSYSA-N	306.204	1.536	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccnc(N2CCCCC2)c1	934076873	NHAMUWZVMFOPJE-UHFFFAOYSA-N	321.381	1.261	50	20	DDGD	
COCCCn1cc(C(=O)NNc2ccc(F)cc2F)cn1	860317090	ZUKCXUQIWKJFNQ-UHFFFAOYSA-N	310.304	1.955	50	20	DDGD	
CCCCn1ncc(NC(=O)C(=O)NNC(=O)C(C)(C)C)c1C	761071824	GMRSHCVHKYJGDY-UHFFFAOYSA-N	323.397	1.124	50	20	DDGD	
Cn1nccc1CCNC(=O)[C@@H](Br)C(C)(C)C	768447408	LHNUJTMZYVMCBC-SNVBAGLBSA-N	302.216	1.888	50	20	DDGD	
Cc1nc(CC(=O)NNC(=O)c2ccccc2F)c(C)s1	764513332	HZBIBADXBOUREZ-UHFFFAOYSA-N	307.350	1.903	50	20	DDGD	
COCCN(C)NC(=O)c1cc(Br)cc(C=O)c1	861657104	MJFCTLFHAZDRJQ-UHFFFAOYSA-N	315.167	1.485	50	20	DDGD	
O=C1COc2cc(C(=O)NNc3nc4ccccc4[nH]3)ccc2N1	768492568	RCQXUZZDTFIUFW-UHFFFAOYSA-N	323.312	1.651	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCCc3c[nH]nc32)c1	765754769	RQIDRRLIUUHJPI-CYBMUJFWSA-N	324.344	1.303	50	20	DDGD	
CC(=NNC(=O)c1cn[nH]c1)C1CN(C(=O)OC(C)(C)C)C1	863153990	KFNCYHCZRQTNOL-UHFFFAOYSA-N	307.354	1.382	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1ccc(C#N)c(C)c1	766546390	DYWNKFNDQJFWFP-UHFFFAOYSA-N	310.379	1.159	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccn(-c2ccccc2)n1	766697394	IRFFPVGPKMCMRI-UHFFFAOYSA-N	301.350	1.542	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@@H]1CCC[C@@H]1c1ccccc1	879085636	GBJZPEDHWFWJJB-BPLDGKMQSA-N	303.406	1.858	50	20	DDGD	
CNc1c(C(=O)NNc2cc(C)ncn2)cccc1[N+](=O)[O-]	765853151	VDUVNGWTNJSRGF-UHFFFAOYSA-N	302.294	1.492	50	20	DDGD	
Cn1cc(C(=O)NN=C2CCCN3CCCC[C@H]23)ccc1=O	872426761	JJBAOJGTNFQACW-CQSZACIVSA-N	302.378	1.119	50	20	DDGD	
C[C@@H](CN1CCCC1=O)NC(=O)[C@H](Br)C(C)(C)C	767305894	RBGXQTVWYOPZGG-ONGXEEELSA-N	319.243	1.923	50	20	DDGD	
CC1=NO[C@H](CNC(=O)NC[C@]2(C)C[C@H]2Br)C1	875956789	NXFPAWAWHIHYNB-NGZCFLSTSA-N	304.188	1.624	50	20	DDGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)CN(C)C)cc1	874949162	FHLBVFOGLFUFIC-UHFFFAOYSA-N	310.423	1.353	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)C1CCC=CCC1	873781061	SUESZAJMPNOAJR-UHFFFAOYSA-N	312.373	1.930	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cc(C(F)(F)F)cnc1O	874456498	YSICHWHXBPRGSQ-UHFFFAOYSA-N	303.240	1.367	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H](O)CCSC)c1	874949719	AZGGXNJPUFGISC-GFCCVEGCSA-N	323.443	1.100	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1cnc(O)c([N+](=O)[O-])c1	770682898	RIKQIQNEFIHKJN-UHFFFAOYSA-N	314.261	1.329	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1F)[C@@H]1CCCCS1(=O)=O	871271077	DNZXHXLLSVQBND-NSHDSACASA-N	320.773	1.890	50	20	DDGD	
CSc1cccc(C(=O)NNc2cccnn2)c1[N+](=O)[O-]	777147647	DTAMCXXUNVMCAK-UHFFFAOYSA-N	305.319	1.864	50	20	DDGD	
C=C(C)[C@@H](CC(=O)NNC(=S)Nc1ccccn1)OCC	874955638	CNWQGPDNHYUQBI-LLVKDONJSA-N	308.407	1.771	50	20	DDGD	
OB(O)c1cccc(CNCCCOc2ccccc2F)c1	876901725	IRWHEODWFLNPGM-UHFFFAOYSA-N	303.142	1.064	50	20	DDGD	
CN(C)C(=O)NN=Cc1c(Cl)cccc1S(C)(=O)=O	773200152	GBVGCHPWOWIMCL-UHFFFAOYSA-N	303.771	1.349	50	20	DDGD	
O=C(NNC(=O)N1CCC2(CCCCC2)CC1)c1cn[nH]c1	1118810067	CZKQNMYMDGULDS-UHFFFAOYSA-N	305.382	1.810	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H]1CC(c2ccc(C)cc2)=NO1	875562529	QCCJJDXATKGSQC-GFCCVEGCSA-N	320.349	1.400	50	20	DDGD	
Cc1ccc(OCc2nc(C=NNC(=O)CO)cs2)cc1	776781160	YBVNDIUVXXQBBY-UHFFFAOYSA-N	305.359	1.473	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](CCOC)c1ccc(C)o1	779395840	ABPZWXIQJIUNTR-NSHDSACASA-N	313.354	1.033	50	20	DDGD	
Cc1cccc(NNC(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)n1	875042772	YFCXFYFKJMMXOK-KBPBESRZSA-N	321.425	1.515	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C	870382319	OVVAFJCCHUAHSI-QFEHZMRISA-N	321.377	1.651	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1ccc(CC)cc1	772146709	SDAHAAJXKOQQBZ-LLVKDONJSA-N	306.362	1.281	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1ccc(O)cc1O	777903697	DCFVQIYXFNPZMS-UHFFFAOYSA-N	309.322	1.073	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1)C(C)C	770210275	WQFJQSUWTJFSGJ-AWEZNQCLSA-N	316.361	1.509	50	20	DDGD	
C[C@H](CCOc1ccccc1)C(=O)NNC(=O)c1cccnn1	882058023	LVYRRUZZIFZQMS-GFCCVEGCSA-N	314.345	1.343	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@H]1CCc2cc(F)ccc21	883190909	ODJCBURQISOYAG-AWEZNQCLSA-N	321.352	1.570	50	20	DDGD	
Cn1ncc(C(=O)NN=C(c2ccccc2)c2ccccc2)n1	785784228	VMQGESHAGCKZNN-UHFFFAOYSA-N	305.341	1.998	50	20	DDGD	
O=C(NCCn1ccnn1)[C@@]12CC[C@@H](C[C@@H]1Br)C2	782831796	YKHXXYJLYTYINK-JBLDHEPKSA-N	313.199	1.348	50	20	DDGD	
CC(C)[C@@H](F)C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	784155983	MFKRXLPWORGRID-CYBMUJFWSA-N	322.315	1.971	50	20	DDGD	
CC1CCN(C[C@@H](C)NC(=O)NNc2ccc(C#N)cn2)CC1	889362660	MUVVJBIOCOVSGY-CYBMUJFWSA-N	316.409	1.700	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCc2cccnc21)C1CCOCC1	883068734	GGTTZOLWTUAUCY-CYBMUJFWSA-N	303.362	1.076	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCCCN1CCOCC1	781066463	HGWLBSJSHRRMLQ-LLVKDONJSA-N	321.259	1.635	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1ccc(OCC(=O)OC)cc1	786044119	HXVWPERRIPLQPL-JYRVWZFOSA-N	309.343	1.538	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCc1nnnn1Cc1ccccc1	786673645	IZFJMCXDHSBYEZ-RIYZIHGNSA-N	309.329	1.625	50	20	DDGD	
COc1ccc(C(=O)NNc2ccccc2S(N)(=O)=O)cc1	788227327	CAAQPRMGMKBUCB-UHFFFAOYSA-N	321.358	1.100	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1ccc2nccnc2c1	781836524	ODHGAJSRTNCJTO-UHFFFAOYSA-N	300.709	1.830	50	20	DDGD	
CN1C[C@@H](NC(=O)NNc2ccc(C(C)(C)C)cc2)CC1=O	780839587	CEQNQKCAVDAMFY-ZDUSSCGKSA-N	304.394	1.841	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CN1CCCCCCC1=O	899992032	KLUJEQXMUMSWEG-UHFFFAOYSA-N	314.455	1.073	50	20	DDGD	
Cc1cc(C(=O)NNc2nc3ccccn3n2)c2c(C)n[nH]c2n1	791256794	WIYYZYASBNHZDW-UHFFFAOYSA-N	322.332	1.374	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cc(F)ccc1-n1cccn1	793748022	NOGAISKIIBCLFO-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)nc2)cc1C#N	799410985	GXJRBNWVPRBHBO-UHFFFAOYSA-N	314.732	1.990	50	20	DDGD	
Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNC(=O)NCC(F)(F)F	798316487	ZZRNWDMYQMLPJB-ZCFIWIBFSA-N	321.303	1.033	50	20	DDGD	
Cc1nc(C(=O)NNc2nc3ccccn3n2)c2ccccn12	791253997	SESLNYMCKPFFNT-UHFFFAOYSA-N	307.317	1.442	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2c(C)cccc2[N+](=O)[O-])n1	794074421	ADBOYEJIRSQXHO-UHFFFAOYSA-N	314.301	1.681	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2ccc(Cl)nc2)cn1C	790156888	HJQBIMISUDEROF-UHFFFAOYSA-N	320.736	1.624	50	20	DDGD	
Cc1nn(C)c(/C=C(\C#N)C(N)=C(C#N)C#N)c1Br	790600000	ABDINGQFOXCIHA-FPYGCLRLSA-N	317.150	1.658	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc(C=O)c(C)cc2C)n1	794089173	BOVOQRCBOQCHJB-UHFFFAOYSA-N	311.341	1.894	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H]2CCCc3nn(C)cc32)n1	799099733	DGUSBKGJFIPYOR-SECBINFHSA-N	320.784	1.735	50	20	DDGD	
CC(C)=CCNC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	790535254	ZKDRKZLDFWWDAV-UHFFFAOYSA-N	313.361	1.783	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)CNc1ccc(OC)cc1	794907529	XPFGXFAWFHRAAP-HNNXBMFYSA-N	309.366	1.070	50	20	DDGD	
Cc1ccc2c(c1)CC[C@H](C(=O)NNc1ncc(F)cn1)O2	793746976	MBNCGXGWVBATRY-CYBMUJFWSA-N	302.309	1.761	50	20	DDGD	
O=C(CCOCC(F)(F)C(F)F)NNc1ncc(F)cn1	790829814	WQCWTXWMLMYCNZ-UHFFFAOYSA-N	314.214	1.366	50	20	DDGD	
CCOCCCCNC(=O)NNC(=O)c1ccc(OC)cc1	1323722159	NFOGTYVZPBYPHF-UHFFFAOYSA-N	309.366	1.456	50	20	DDGD	
COc1nc(Cl)c(/C=C(/C#N)C(=O)[C@H]2CCCOC2)n1C	1321543194	YQEQRPJGUUXDDM-LKJZUNMESA-N	309.753	1.985	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)C2CCNCC2)ccc1Cl	1327478844	FKMKOBVMDZUTTA-UHFFFAOYSA-N	324.812	1.478	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)C(=O)Nc2ccsc2)nn1	1320725702	LXQZQGZXQKXFAT-UHFFFAOYSA-N	319.390	1.917	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H](c1cccc(Cl)c1)N(C)C	1322033375	RILGOFUBIYQRTP-GFCCVEGCSA-N	312.801	1.682	50	20	DDGD	
C=C[C@H](COC)NC(=O)NNC(=O)COc1ccc(C)c(C)c1	1324031452	AXLZGUATOLDFQX-CYBMUJFWSA-N	321.377	1.214	50	20	DDGD	
N#CC1(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)CCOCC1	1329206507	HDGYHHNWOIIDLA-UHFFFAOYSA-N	312.329	1.292	50	20	DDGD	
CC(=NNC(=O)Cc1cn2ccccc2n1)c1ccnc(C)n1	1320727637	LXPHLWUOPBLPBR-UHFFFAOYSA-N	308.345	1.516	50	20	DDGD	
CC[C@H](CC(F)(F)F)NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	1326767228	QBJAPSJDSYCDME-YIZRAAEISA-N	311.304	1.473	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccnc1)c1ccc(F)c(F)c1	1339575670	QKGCAHMEZAEIRT-SECBINFHSA-N	305.284	1.925	50	20	DDGD	
CC(=O)c1ccc(N(C)[C@@H](C)C(=O)NNC(=O)CC(C)C)cc1	1262020079	NUHDQDCFUFYJKD-LBPRGKRZSA-N	319.405	1.907	50	20	DDGD	
Cn1cnc(CNC(=O)NNc2cc(C(F)(F)F)ccn2)c1	1263196298	NUDOMNLBTKPLTQ-UHFFFAOYSA-N	314.271	1.660	50	20	DDGD	
Cn1ncc(C2CC2)c1C(=O)NNC(=S)Nc1ccccn1	1261916075	IABNGQXULYYJEZ-UHFFFAOYSA-N	316.390	1.324	50	20	DDGD	
C[C@]1(COC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C[C@H]1Br	1348962721	WCUQKMHKPNMRBP-ZTVLKNOQSA-N	319.195	1.755	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)NCCC(F)F	1341413788	UCUVFCBKNFDMHV-UHFFFAOYSA-N	310.304	1.627	50	20	DDGD	
CCCN1C[C@H](C(=O)OC[C@@]2(C)C[C@@H]2Br)CC1=O	1344034137	DSJOASKRHRUJIL-GBIKHYSHSA-N	318.211	1.962	50	20	DDGD	
O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C1CCC(Cl)CC1	1527625925	POQDQLITNZQMGD-CLRIEMFWSA-N	300.830	1.763	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1ncoc1C(F)(F)F	1606528884	SUIZUGSKIPOAMW-UHFFFAOYSA-N	316.195	1.544	50	20	DDGD	
Cc1cccc2c1O[C@@H](C(=O)NNc1ccc(C(=O)O)cn1)C2	1600558204	FVPFSWARCXCUQJ-GFCCVEGCSA-N	313.313	1.535	50	20	DDGD	
CN(NC(=O)c1cccc(OCC(=O)O)c1)C(=O)OC(C)(C)C	1604195738	VAFCOWQSIVBQLJ-UHFFFAOYSA-N	324.333	1.662	50	20	DDGD	
CON=Cc1ccc(C(=O)NNc2ncccc2C(=O)O)cc1	1604662248	ZYZOPPMZMUIHRQ-UHFFFAOYSA-N	314.301	1.517	50	20	DDGD	
O=C(O)CSCCC(=O)NNc1nc2ccncc2s1	1608766972	XBWMVIFLEOKAAY-UHFFFAOYSA-N	312.376	1.342	50	20	DDGD	
CCOc1cccc(C(=O)NNc2ccc(C(=O)O)cn2)c1	1605702467	NHPAXRIFEOZMPK-UHFFFAOYSA-N	301.302	1.935	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNc1ccc(C(=O)O)cc1OC	1609899771	LJEPQIXPZHNGLV-ZANVPECISA-N	310.350	1.898	50	20	DDGD	
O=C(Cc1cccc(C(=O)O)c1)NN=c1cc[nH]cc1Cl	1601364936	XHGXPSGDVSZMOJ-UHFFFAOYSA-N	305.721	1.541	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@@H](C(=O)O)C1)c1ccccc1Cl	1601553659	PKWDLYLRVKNRPS-VHSXEESVSA-N	324.764	1.992	50	20	DDGD	
Cc1cc[nH]c1C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1609413793	UXRJRDGNLWYYCA-UHFFFAOYSA-N	317.740	1.914	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)OC[C@@H]2CCCC[C@@H]2C(=O)O)cn1	1600946423	MLEBYXGAGFAVKM-DIWZIYAFSA-N	317.345	1.761	50	20	DDGD	
Cc1cn(C(C)(C)C(=O)NNc2cccc(C(=O)O)c2F)cn1	1600611873	UIWVOBJJXZBDRK-UHFFFAOYSA-N	320.324	1.907	50	20	DDGD	
O=C(NC[C@@H]1CCCCO1)NNc1cccc(C(=O)O)c1F	1610690914	LQIMGTGWGLOYHM-VIFPVBQESA-N	311.313	1.719	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@H]1C=NNC(=O)c1ccnnc1	1552454439	OKYYCLKXQJWXDK-FZMZJTMJSA-N	314.349	1.094	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@H]1CCCC[C@H]1N	1579309491	FHAPDBOZAPEOGP-WDEREUQCSA-N	322.434	1.530	50	20	DDGD	
CCOCc1nc(Cl)cc(NNC(=O)[C@@H](N)CC(C)C)n1	1578127429	WHQHIELHTHWTML-VIFPVBQESA-N	315.805	1.483	50	20	DDGD	
OB(O)c1cccc(CNCCCCCC2CCNCC2)c1	1580876461	MKSUTEZBXVKMFF-UHFFFAOYSA-N	304.243	1.016	50	20	DDGD	
O=C(NN=c1cc[nH]c2cccnc12)[C@H]1CNc2ccccc21	1580739780	NPSVDGXHVDLRMQ-LBPRGKRZSA-N	305.341	1.704	50	20	DDGD	
CCC(=O)C(=O)N1CCCC12CN(C(=O)[C@@H](Cl)CC)C2	1845972912	XXNGKRLMOJLMQF-JTQLQIEISA-N	300.786	1.186	50	20	DDGD	
N[C@@H](CC(=O)NNC(=O)OCC(F)(F)F)c1ccccc1	1580120868	ACGJQZYVXPMWKE-VIFPVBQESA-N	305.256	1.396	50	20	DDGD	
O=C(c1ccccc1)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1	1841352297	GNWQUNXWEAEFSF-ZDUSSCGKSA-N	322.792	1.103	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H](C)C(=O)O)cc1Cl	1593883067	PPPQIPPCVZIOHX-ZCFIWIBFSA-N	300.698	1.290	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C2(C(=O)O)C(C)(C)C2(C)C)n1	1594387245	AQARJGSNTCECMO-UHFFFAOYSA-N	319.361	1.288	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H](C(=O)O)CCN1C[C@@H](C)CBr	1598750223	JXOAXHQTKOGPTA-GUBZILKMSA-N	322.199	1.356	50	20	DDGD	
CN1CCC[C@H](NC(=O)NNc2ccc(F)c(C(=O)O)c2)C1	1598595373	XVBNQFLFUNEQIM-JTQLQIEISA-N	310.329	1.244	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H]1C(=O)NNc1ccc(Br)nc1	1595181517	NVRJZUINVAATSL-HTQZYQBOSA-N	314.139	1.398	50	20	DDGD	
O=C(/C=C/c1ccccc1)NNc1ccc(-c2nn[nH]n2)cn1	1592793489	DGISVEXJWSJRLF-RMKNXTFCSA-N	307.317	1.418	50	20	DDGD	
COCCOC[C@@H](C)NC(=O)NNc1cccc(C(=O)O)c1	1599249369	HHGZACRZEPTQNM-SNVBAGLBSA-N	311.338	1.062	50	20	DDGD	
CN(C)c1ccnc(C(=O)NNc2cccc(C(=O)O)c2)c1	1598346283	PWRKFKUBBTVVRE-UHFFFAOYSA-N	300.318	1.603	50	20	DDGD	
CC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(C)=O)C2	1780702466	STGNPAYHANQIOZ-UMVBOHGHSA-N	316.829	1.538	50	20	DDGD	
C[C@H](O)C[C@@H](CNC(=O)NNC(=O)C(C)(C)C)c1ccccc1	155596927	GSNKSVGKNFSABW-JSGCOSHPSA-N	321.421	1.918	50	20	DDGD	
COc1ccccc1C(=O)NCC(=O)NNc1ccnc(F)c1	155657558	PFRGHILENNXFAB-UHFFFAOYSA-N	318.308	1.102	50	20	DDGD	
O=S(=O)(NCC[C@H](O)C1CC1)c1ccc(CCl)cc1	908311640	FUAFCIDLCVSXJF-ZDUSSCGKSA-N	303.811	1.865	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NNC(=O)c2cccc(Cl)c2)C1	8194234	MNPHGWLRLSNGFP-LBPRGKRZSA-N	323.780	1.360	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)CCn1ccnc1	57691298	PEOAYHRZKNUTIC-UHFFFAOYSA-N	300.362	1.444	50	20	DDGD	
CN(Cc1ccc(C#N)cc1)C(=O)NNC(=O)Cc1cccnc1	103518997	CJEPYRYKEHTWKU-UHFFFAOYSA-N	323.356	1.369	50	20	DDGD	
C[C@@H]1CCCC[C@H]1OCC(=O)NNC(=O)Cc1cccnc1	112815251	DYYGUDFEXBTTDL-TZMCWYRMSA-N	305.378	1.367	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C1(c2ccc(F)cc2)CCC1	109996259	GZNJTXHTTZMYIU-UHFFFAOYSA-N	316.336	1.740	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1nc(Cl)ccc1Cl	106417902	LDYNTMIDONCBFF-UHFFFAOYSA-N	314.132	1.115	50	20	DDGD	
CCc1c(C(=O)NNc2cc(C)ncn2)[nH]c(C)c1C(C)=O	172283694	RGHUMEMSOLQBFW-UHFFFAOYSA-N	301.350	1.943	50	20	DDGD	
O=C(Cc1cccc([N+](=O)[O-])c1)NNc1nccnc1Cl	173612310	BRQJGPJVUIVIMX-UHFFFAOYSA-N	307.697	1.724	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F	116562863	WALCMPUABRVGIJ-KWQFWETISA-N	313.304	1.188	50	20	DDGD	
COCCOc1ccc(Cl)cc1C(=O)NNc1cccnn1	178258036	GNGNIRIASYINKF-UHFFFAOYSA-N	322.752	1.912	50	20	DDGD	
Cc1cncc(C(=O)NNC(=O)Cc2cn3ccccc3n2)c1	173899588	KHOJGNRRBFUELT-UHFFFAOYSA-N	309.329	1.041	50	20	DDGD	
CC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)c1cnn(C)c1	117964823	VBAMSDSOTNLCFR-AWEZNQCLSA-N	315.377	1.385	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2ccc3c(c2)CCC3)o1	175825757	PAHXACPDEIHPAQ-UHFFFAOYSA-N	314.341	1.917	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1	112274356	KXAOSGQEJHYBRS-QWHCGFSZSA-N	323.437	1.609	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)[C@H]1Cc2ccccc2O1	178869990	MYGNAGBCRWCCBW-SNVBAGLBSA-N	324.262	1.942	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCOCC1	27337822	IAONBNFIGLQTJY-UHFFFAOYSA-N	307.394	1.276	50	20	DDGD	
O=C(CNC(=O)c1cccc(F)c1)NNc1ncccc1Cl	114887040	RHGYDLBUESCXIW-UHFFFAOYSA-N	322.727	1.747	50	20	DDGD	
Cc1nn(C)c(C)c1CNC(=O)NNc1ccc(Cl)nn1	173488458	XQSBNAPTGIBHKH-UHFFFAOYSA-N	309.761	1.307	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNC(=O)c2ccc[nH]2)cc1	124131663	GUTJLAAYACMANT-LLVKDONJSA-N	301.346	1.663	50	20	DDGD	
O=Cc1ccc(OCC(=O)NNc2nnc(C3CC3)s2)cc1	184449470	FMNVFMFZCNYFQG-UHFFFAOYSA-N	318.358	1.750	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc2ccccc2c1	184496403	UNOFFIHAIDRRTH-UHFFFAOYSA-N	313.357	1.972	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1C(=O)NNC(=O)c1ccccc1	71945112	YJBDZSBSULAISB-UHFFFAOYSA-N	300.362	1.792	50	20	DDGD	
COc1cc(F)ccc1NC(=O)NNC(=O)c1cnn(C)c1	183604483	ROPCHCJQOALCPV-UHFFFAOYSA-N	307.285	1.034	50	20	DDGD	
CNc1nc(C(=O)NNC(=O)c2cccc(C#N)c2)cs1	120489797	DMEWEWGBKCJFGG-UHFFFAOYSA-N	301.331	1.131	50	20	DDGD	
Cn1nc(CCNC(=O)NNc2ccccn2)c2ccccc21	185502670	VOSCQUBFQWZALH-UHFFFAOYSA-N	310.361	1.837	50	20	DDGD	
C[C@H](CS(C)(=O)=O)NC(=O)NNc1c(F)cccc1Cl	185391425	XCSCWUNFVOADOK-SSDOTTSWSA-N	323.777	1.538	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CC2CCC2)cc1C	75563609	ICTATNWIRXXXDK-UHFFFAOYSA-N	303.362	1.580	50	20	DDGD	
CC(=O)NNC(=O)Nc1nnc(Cc2ccc(F)cc2)s1	181972767	ZYZVJOYGQHUMAG-UHFFFAOYSA-N	309.326	1.441	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)CCC2CCC2)cn1	78397318	MBDDMTUSIAQXGA-UHFFFAOYSA-N	308.407	1.988	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2ccc(C)c(F)c2)n1	182788044	ODIWGHQGTACIEU-UHFFFAOYSA-N	319.340	1.800	50	20	DDGD	
C[C@@H]1CCC[C@@](CNC(=O)NNC(=O)c2ccc[nH]2)(N(C)C)C1	131802460	ASWFNLRCAOSQJL-MLGOLLRUSA-N	321.425	1.469	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H](C)N(C)CC(F)(F)F)n1	192141378	JSRYCLHAYCDZRG-VIFPVBQESA-N	305.304	1.419	50	20	DDGD	
O=C(/C=C/SCc1ccco1)NNC(=O)NCC(F)(F)F	132022877	GGPAAAXZSJFDCW-HWKANZROSA-N	323.296	1.919	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC2CC(C)(C)NC(C)(C)C2)o1	84141732	GQOMCLSBNLJBFA-UHFFFAOYSA-N	322.409	1.841	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1snnc1C)c1ccccc1	190519723	CNPUEAFBHPQAGT-LLVKDONJSA-N	304.375	1.801	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)/C=C\c1cnc(C)s1	255839616	PCGXOPFJODJLMI-FPLPWBNLSA-N	317.370	1.935	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)C(=O)N(C)C)cc1	255830544	ILOBKMQBYSVYNM-XTCQQWIJSA-N	315.373	1.585	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1sccc1OC(F)F	264170735	JTKSNJAPBROYNT-UHFFFAOYSA-N	321.305	1.036	50	20	DDGD	
CCC1(C(=O)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)CC1	269281117	AKKRXXRXYUAQFX-UHFFFAOYSA-N	318.381	1.920	50	20	DDGD	
CC1CCN(CC(=O)NNC(=O)C(C)(C)c2ccccc2)CC1	268544256	LUNTVDLPFAKSGW-UHFFFAOYSA-N	317.433	1.844	50	20	DDGD	
COC(=O)N(C)NC(=O)CCc1nc(-c2ccsc2)no1	367666567	ULOOTFCYDWPRBB-UHFFFAOYSA-N	310.335	1.460	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1	264514658	ODXRKKSXASOVLB-UHFFFAOYSA-N	308.338	1.526	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cn1)[C@@H]1C[C@]12CCOC2	363710936	XOTFIDLFIWGRKA-CABZTGNLSA-N	301.268	1.970	50	20	DDGD	
CNC(=O)NNC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1	265694661	ZNVBCCFBWGICPF-QMMMGPOBSA-N	303.284	1.844	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@@H]1CC12CCOCC2	363157491	IKCKYETZDCDEPT-ZDUSSCGKSA-N	306.337	1.332	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2ccc(F)cc2Cl)CC1	278609635	LRYNVMRZJMAOCD-UHFFFAOYSA-N	314.748	1.081	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2scnc2C)nc1C	272200068	PFSAJFNCQBMTID-UHFFFAOYSA-N	321.362	1.484	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@@H]1CCO[C@H](C2CC2)C1	274146330	DDMYONRLCMSUFX-RISCZKNCSA-N	321.352	1.727	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)[C@H]2CC23CCOCC3)c1	367586522	YDYJWPRLERGPGT-CYBMUJFWSA-N	324.402	1.350	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C	274104275	XQRUCTGDKWYWOP-MRVPVSSYSA-N	322.321	1.035	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](C)C2=CCN(C)CC2)o1	272914384	JVPANOJDVAAGQQ-NSHDSACASA-N	306.366	1.182	50	20	DDGD	
Cc1oc(C(C)C)nc1C(=O)NNC(=O)Cc1cccnc1	285676180	QSGFHOYGMIKRAG-UHFFFAOYSA-N	302.334	1.505	50	20	DDGD	
Cc1ccc2c(c1)nc(CNC(=O)NNC(=O)C(C)(C)C)n2C	283497784	YNHNQVNQIFDGKI-UHFFFAOYSA-N	317.393	1.758	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@](C)(O)CCc2ccccc2)o1	283258356	QRWCTPAALCDFCY-KRWDZBQOSA-N	316.357	1.733	50	20	DDGD	
CCOC[C@@H](NC(=O)NNC(=O)c1cccc(C)n1)C(C)C	280022840	VHKMIJRBYGETIY-CYBMUJFWSA-N	308.382	1.395	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)C(F)(F)F	288612276	LFJBUISBLKNEBI-ZETCQYMHSA-N	307.247	1.649	50	20	DDGD	
COCCN(C)NC(=O)CCc1ncc(-c2ccccc2)o1	288378788	IPFKAODIXKTTNY-UHFFFAOYSA-N	303.362	1.884	50	20	DDGD	
CC[C@H](OC)C(=O)NNC(=O)Nc1cc(OC)ccc1Cl	283734547	YCOUGABTIJAVFX-NSHDSACASA-N	315.757	1.926	50	20	DDGD	
CCOC1CC(C(=O)NNc2nc(O)c3ccccc3n2)C1	287649182	HNKZMUMSCLIWJA-UHFFFAOYSA-N	302.334	1.594	50	20	DDGD	
CC[C@@H](COCC(F)(F)F)NC(=O)NNc1cccnn1	297086392	ZWICJNTYOHPMBA-QMMMGPOBSA-N	307.276	1.460	50	20	DDGD	
O=C(NNC(=O)c1cccc2[nH]ncc12)NC1CCCCC1	298440241	SVFPDYNIFNSQDG-UHFFFAOYSA-N	301.350	1.840	50	20	DDGD	
COC(=O)c1cc(S(=O)(=O)N2CC=C(C#N)CC2)cnc1C	292168424	DFAFGKZOQGJUDZ-UHFFFAOYSA-N	321.358	1.021	50	20	DDGD	
Cc1oc(C(C)C)nc1C(=O)NNc1ccnc(N(C)C)n1	806901894	OYILOKYNIPSAGQ-UHFFFAOYSA-N	304.354	1.719	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)CCC(C)=O)cc1OC	298342413	YNTDIJQSCHQPLF-UHFFFAOYSA-N	308.334	1.224	50	20	DDGD	
C=CCC(C)(C)C(=O)NNC(=O)COc1ccc(C#N)cc1	292316343	VXNDYLQCMHGERO-UHFFFAOYSA-N	301.346	1.687	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2occ3c2CCC3)c(O)c1	803167330	BTBBNOJEIUXMSX-UHFFFAOYSA-N	300.314	1.857	50	20	DDGD	
O=C(NNC(=O)c1ocnc1C1CC1)c1cc(Cl)ccc1O	809567262	YOMJKRLIASTVGI-UHFFFAOYSA-N	321.720	1.986	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@H](c1cccs1)N(C)C	298630858	BJGUDKMBEMSNGV-NSHDSACASA-N	312.439	1.727	50	20	DDGD	
Cc1ccc(C(F)(F)C(=O)NNC(=O)N=c2cc[nH]cc2)cc1	802030831	TUVREWDPADNPQI-UHFFFAOYSA-N	320.299	1.757	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@H]1CCN2CCCC[C@@H]12	298726244	KHWXKYKFIZBEIQ-UWVGGRQHSA-N	310.789	1.383	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@H]2CCC(=O)NC2)c(Cl)c1	802050521	GLHNMLTXIZMEQO-VIFPVBQESA-N	324.768	1.327	50	20	DDGD	
O=C(NNC(=O)N1C[C@]2(CCCO2)[C@@H]1C1CC1)c1ccccc1	297422490	JSMJHVZWFDELOI-WMLDXEAASA-N	315.373	1.684	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)/C=C/c2c(F)cccc2F)O1	294365471	VQOSIKBBJIZNFU-MCSQUWGJSA-N	310.300	1.693	50	20	DDGD	
C[C@H]1CCCN(C(=O)C(=O)OC[C@@H](C)CBr)C1	805562026	MHYWKXJYOFDLGQ-UWVGGRQHSA-N	306.200	1.819	50	20	DDGD	
COc1cccc(CO[C@H](C)C(=O)NNc2ccncn2)c1	295325204	AKZAUYSQBVXPFU-LLVKDONJSA-N	302.334	1.534	50	20	DDGD	
CC(C)OC(=O)CC[C@H](C)NC(=O)NNc1cccc(F)n1	805401334	DGYOJNWNFBVIMJ-JTQLQIEISA-N	312.345	1.967	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)CC1)c1ccc(O)c(Cl)c1	814849794	KQAIZKFILQEOFB-UHFFFAOYSA-N	316.766	1.340	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCCCCCC(=O)O)c(C)o1	818797776	JODYXXPNEMRRLE-UHFFFAOYSA-N	311.338	1.485	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)Cc1ccc(Cl)cc1)OC	811968443	IWYWVVCSSSITFD-GFCCVEGCSA-N	313.785	1.638	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)c2cccc(C)n2)C[C@@H](CC)O1	817166513	BNLZHKDCIRZOEW-BETUJISGSA-N	320.393	1.634	50	20	DDGD	
COc1ccccc1NCC(=O)NN=Cc1snnc1C	814213889	KVTMZFUDCUVNIK-UHFFFAOYSA-N	305.363	1.417	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F	815114274	HQQZRJOPOCPQCL-UHFFFAOYSA-N	320.227	1.578	50	20	DDGD	
COc1cc(C(=O)NNc2ncncc2F)cc2c1OCCO2	817079821	ACVJLYMQNXEOQI-UHFFFAOYSA-N	320.280	1.152	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@H]2CC3CCC2CC3)c1O	814311691	IKNSPJSCADXYQQ-XIVSLSHWSA-N	318.373	1.988	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Nc2cc3c(cn2)CCCC3)cn1	813012834	ZBTBNBHLIHQQDO-UHFFFAOYSA-N	314.349	1.160	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1c[nH]nc1-c1ccccn1	810419790	OFGBMSJVDHOENZ-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H]1CCc2nncn2C1	813821177	QHTFRPJXRGMRBJ-NSHDSACASA-N	314.349	1.002	50	20	DDGD	
O=C(NCCc1ccc(F)cc1F)NNc1ncncc1F	814300149	HYSCVWPLHLIGEX-UHFFFAOYSA-N	311.267	1.763	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1NC(=O)NNc1ncncc1F	814477853	DBFQFHOYJURQOC-UHFFFAOYSA-N	306.257	1.981	50	20	DDGD	
CC(C)CC[C@H]1CCCC1=NNC(=O)[C@H](C)NS(C)(=O)=O	728434152	VAUITOBZDKBPJJ-NWDGAFQWSA-N	317.455	1.633	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCc2cccc(F)c2C1	827276019	XYUQLJWZHQKRMU-JQWIXIFHSA-N	321.352	1.350	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)/C=C\c2ccc[nH]2)cc1	492891117	FGDVBVIOUFEAJA-XFFZJAGNSA-N	313.357	1.817	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)COC2	495408752	UQGOTDYHEGELPW-UHFFFAOYSA-N	321.333	1.211	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCC1CC(F)(F)C1	826946831	QWZHWSULSWDITC-WPRPVWTQSA-N	305.325	1.177	50	20	DDGD	
CC1CCN(C[C@@H](C)NC(=O)NNC(=O)c2ccc[nH]2)CC1	822697266	ADWUEYKCUBFPMK-GFCCVEGCSA-N	307.398	1.079	50	20	DDGD	
CCCC(=O)N1CCC[C@@H]1C(=O)NN(C)C(=O)OC(C)(C)C	496086213	ZUYQLJDRTVMVHH-LLVKDONJSA-N	313.398	1.676	50	20	DDGD	
COC(=O)CCCN1CCC(=NNC(=O)c2ccccn2)CC1	727059085	TUDZCANFFWECPU-UHFFFAOYSA-N	318.377	1.216	50	20	DDGD	
N#C/C(=C\c1ccc(-c2nn[nH]n2)s1)C(=O)N=c1cc[nH]cc1	826379360	PVUUKUPDJLVKBU-VQHVLOKHSA-N	323.341	1.291	50	20	DDGD	
COc1ccc2c(c1)CN(C(=O)/C(C#N)=C/c1cnn(C)c1)CC2	491131313	KRLZOTVLABARAW-VIZOYTHASA-N	322.368	1.921	50	20	DDGD	
OB(O)c1ccccc1CN[C@H](c1ccccc1)[C@H]1CCCO1	585020186	ZCHWHSWTRJDKHE-QZTJIDSGSA-N	311.190	1.376	50	20	DDGD	
CCc1cc(C(=O)N(C)NC(=O)OCc2ccccc2)n(C)n1	824823246	DCNSVHQBYJKYQA-UHFFFAOYSA-N	316.361	1.896	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)OCCNC(=O)C2CC2)cc1	908709470	AFDGHAZWWIHCLS-GXDHUFHOSA-N	314.341	1.672	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](c1ccccc1)C(OC)OC	491133825	QIWUCNMENWOLOL-CMPYXILNSA-N	304.346	1.907	50	20	DDGD	
OB(O)c1ccc(CN[C@@H](Cc2ccccc2)C(F)(F)F)o1	585028186	GCOHAIKBMQZOEK-LBPRGKRZSA-N	313.084	1.223	50	20	DDGD	
CC(C)=C(C)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	495459488	SDZJFBRZAOAQEX-UHFFFAOYSA-N	313.398	1.795	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)N[C@H]2C=CCC2)c1	821092533	NWDYCWLCBMVUJF-ZDUSSCGKSA-N	303.362	1.731	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=C1CCCc2occc21	495790774	AUZTZVVTLOXJJM-UHFFFAOYSA-N	307.350	1.961	50	20	DDGD	
COc1ccc([C@@H](NCc2ccccc2B(O)O)C2CC2)cn1	585049254	MTQFYLNDHCRYFN-KRWDZBQOSA-N	312.178	1.011	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2nn(C)c(=O)c3ccccc23)[C@@H](C)O1	834926086	GXJQDMNOIDTEGY-NXEZZACHSA-N	314.345	1.217	50	20	DDGD	
N#Cc1ccc([C@H](NNC(=O)c2ccccc2F)C(=O)O)cc1	739109059	ITBKMSUDSUQSJI-AWEZNQCLSA-N	313.288	1.758	50	20	DDGD	
Cc1onc(-c2cccc(F)c2)c1C(=O)N1CC[C@H](B(O)O)C1	902551811	OWCYWKUEJPUMJK-NSHDSACASA-N	318.113	1.478	50	20	DDGD	
CC1(CCNC(=O)NNC(=O)Nc2ccc3c(c2)OCO3)CC1	836434170	SYKNFUIXJZVWHK-UHFFFAOYSA-N	320.349	1.941	50	20	DDGD	
CCN(C)C[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H]2Br)C1	906848336	WHVUHNLXKCHDIE-GMXVVIOVSA-N	303.244	1.960	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2c(C)cnn2C)cc1	839471597	WLBWRFGHQUWAEZ-UHFFFAOYSA-N	318.402	1.590	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2cc3c(s2)CCC3)CCCCO1	837310429	KZKURAHZCPMYLB-HNNXBMFYSA-N	308.403	1.957	50	20	DDGD	
CCS(=O)(=O)C[C@H](C)NC(=O)[C@@]1(C)C[C@@H]1Br	906690430	GFSKKLATTAQKEO-NRPADANISA-N	312.229	1.099	50	20	DDGD	
CCCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)NC1CCCC1	730214631	LXBZHFJKRBWEAR-ZDUSSCGKSA-N	324.425	1.441	50	20	DDGD	
CC(C)CCn1cc(C(=O)NNc2cccc(C(=O)O)c2)nn1	833483588	DABRVEYTBMYSIE-UHFFFAOYSA-N	317.349	1.779	50	20	DDGD	
CN(NC(=O)c1cnc2sccn2c1=O)C(=O)OC(C)(C)C	838365533	XUXYWMSCFBFOAY-UHFFFAOYSA-N	324.362	1.268	50	20	DDGD	
O=C(CCc1ccc(C(=O)O)cc1)NNC(=O)c1ccccn1	739255930	LAVYRLDRAXGXGA-UHFFFAOYSA-N	313.313	1.174	50	20	DDGD	
CCOc1ccc(NCc2ccc(B(O)O)cc2F)c(C)c1	585013216	VWKMNBUZMGATIJ-UHFFFAOYSA-N	303.142	1.825	50	20	DDGD	
Cc1cccc2nc(/C(C#N)=C\c3cn(C)c(=O)n(C)c3=O)[nH]c12	735618810	GBZOCZGQJPVXGA-XFFZJAGNSA-N	321.340	1.333	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnc2cc(OC)ccc2c1	906415477	HFCCZCWPGGSPCQ-UHFFFAOYSA-N	316.361	1.988	50	20	DDGD	
Cc1ccc([C@@H](NC(=O)c2cccc(B(O)O)c2)C(C)(C)C)o1	584947302	KZHVVWAVLQQVKI-OAHLLOKOSA-N	315.178	1.785	50	20	DDGD	
Cc1ccccc1C(C)(C)C(=O)NNC(=O)[C@H]1CCCCO1	833247227	ZKDZUWNSYWPNBA-CQSZACIVSA-N	304.390	1.989	50	20	DDGD	
N=C(O)OCc1cn([C@]2(Cl)C[C@H]2CCBr)nn1	900570166	WAFUYOADQRAOEV-HZGVNTEJSA-N	323.578	1.984	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cnn(C)c2)oc2ccc(F)cc12	735445977	NARDHIPLOUXAHU-UHFFFAOYSA-N	316.292	1.689	50	20	DDGD	
CC1(C#N)CCC(=NNC(=O)c2ccc(-n3cnnn3)cc2)CC1	834930941	PCMGUSKGRVVTMW-UHFFFAOYSA-N	323.360	1.852	50	20	DDGD	
COc1cccc([C@H]2C[C@H](NC(=O)NNC(=O)C(C)C)C2)c1	836637319	FULIIVGQAGLKEE-JOCQHMNTSA-N	305.378	1.928	50	20	DDGD	
C[C@H](Cc1ccccc1F)NCc1ccc(B(O)O)cc1F	585018886	VXQINNPRHIRANH-LLVKDONJSA-N	305.133	1.365	50	20	DDGD	
C[C@H](CNCc1cccc(B(O)O)c1)c1ccc(F)c(F)c1	585027453	UBGUMYCLDSBCEX-LLVKDONJSA-N	305.133	1.538	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2SCCS2)cc1F	837050426	JTBMTFCBJMMABF-UHFFFAOYSA-N	316.379	1.862	50	20	DDGD	
O=C(NN=C1CCN(Cc2ccccn2)CC1)[C@@H]1CCCCO1	834989983	WTTWGQANBQGNQP-INIZCTEOSA-N	316.405	1.719	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNc1ccc(F)c(C(=O)OC)c1	837037213	QUHLDWRPJYMSPD-QMMMGPOBSA-N	312.297	1.255	50	20	DDGD	
O=S(=O)(CCl)NC[C@@H](O)c1c(F)cccc1Cl	830664246	PPXMCTMORUDTEK-MRVPVSSYSA-N	302.154	1.628	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CN2CCC[C@H]2C)cc1C	746096210	AEYDONIIQGQCOS-LLVKDONJSA-N	309.435	1.864	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccccc2NC(=O)O)o1	832911257	BJXCAEYSWMQNCE-UHFFFAOYSA-N	303.274	1.753	50	20	DDGD	
Cc1ccnc2nc(C(=O)NNc3ccc([N+](=O)[O-])cc3)nn12	747982369	UPQWVLOPJAPPBW-UHFFFAOYSA-N	313.277	1.098	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccnc(N2CCC[C@@H](C)C2)c1	910147023	INPSQXKAGSFUAN-OLZOCXBDSA-N	306.410	1.275	50	20	DDGD	
O=C(CC[C@H]1CCCO1)NNc1cc(O)nc2ncccc12	913995275	LHPOPOPKRGPZFK-SNVBAGLBSA-N	302.334	1.738	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)COc2ccc(F)cc2)cn1	918204036	NAPGYBSKDVWQCT-UHFFFAOYSA-N	317.320	1.298	50	20	DDGD	
Cc1nnc(NC(=O)NNC(=O)c2cc3c(s2)CCC3)s1	919673731	JICPVZOLPUUKPS-UHFFFAOYSA-N	323.403	1.863	50	20	DDGD	
Cc1noc(C(F)(F)F)c1C(=O)NNC(=O)c1cccn1C	746102984	CHPKFDVYRJLLIE-UHFFFAOYSA-N	316.239	1.415	50	20	DDGD	
CC1=C(C)C[C@@H](C(=O)NNC(=O)Cn2nc(C)cc2C)CC1	843754145	OXINLLXQVAGACZ-AWEZNQCLSA-N	304.394	1.784	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H](C)Cc2cnc[nH]2)cc1	847290285	WMODJWVCYUHJOE-LLVKDONJSA-N	300.362	1.612	50	20	DDGD	
COCCOc1ccc(C(C)=NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	842558152	ROSKPYPTLRXUFC-CZUORRHYSA-N	320.389	1.977	50	20	DDGD	
C[C@@]1(C(=O)N2C[C@H]3C[C@@H](O)CC[C@H]3C2)C[C@@H]1Br	912299676	FKBOPBXNRVTAAL-VGDATSSVSA-N	302.212	1.779	50	20	DDGD	
Cc1ncsc1C=NNC(=O)c1ccc2c(c1)OCCO2	743434638	WPDDGYUJEHPDIY-UHFFFAOYSA-N	303.343	1.987	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)CN(C)S(C)(=O)=O	914722674	MCBNPLDCNFTNRJ-UHFFFAOYSA-N	316.335	1.008	50	20	DDGD	
COc1cc(OC)c(OC)cc1C=NNC(=O)N1CCOCC1	745590795	FSMQSDLFJFITEU-UHFFFAOYSA-N	323.349	1.088	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C1CCc2ccc(F)cc21	748785604	IGWXBXCKCGAKLK-UHFFFAOYSA-N	315.304	1.615	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H]1CCO[C@@H](c2ccccc2)O1	848144500	VYTMWDQTNCUARI-CZUORRHYSA-N	304.346	1.438	50	20	DDGD	
O=C(NNc1cccnn1)[C@@H](C[C@H]1CCCO1)C(F)(F)F	845937634	QYFQWNZKDFIDLZ-RKDXNWHRSA-N	304.272	1.667	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=S)Nc1ccc(OC)nc1	740176782	DWZGQNMZLASSAG-UHFFFAOYSA-N	321.362	1.272	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)c1cc(C)[nH]n1	918691818	JRDOEWSVPMDVOV-UHFFFAOYSA-N	305.363	1.358	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCO[C@@H](c2ccccc2)O1)C1CCCC1	847336909	NENLIVOFCLVSSJ-WMLDXEAASA-N	318.373	1.828	50	20	DDGD	
Cc1ccc2snc(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)c2c1	843660840	MGMWRDYKYASVNO-UWVGGRQHSA-N	319.386	1.791	50	20	DDGD	
NC(=O)c1c[nH]c(C(=O)NNc2ccccc2Br)c1	748070170	IURZKNDZOWYXER-UHFFFAOYSA-N	323.150	1.633	50	20	DDGD	
Cc1ccc([C@H](C)[C@@H](O)C(=O)NNC(=O)c2ccccc2)cc1	748011463	HVIIFLWZJHAMDW-XJKSGUPXSA-N	312.369	1.921	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc(C(F)(F)F)n1	843663019	VXROQCOICJWYKW-JGVFFNPUSA-N	317.267	1.286	50	20	DDGD	
O=C(CCCn1cncn1)NNC(=O)c1c[nH]c2ccccc12	917393649	PESZIFTZIKSZRN-UHFFFAOYSA-N	312.333	1.001	50	20	DDGD	
Cc1nc2cccc(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)c2[nH]1	843970834	LXWXMFUGXKOPMX-WCBMZHEXSA-N	302.334	1.057	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@H](C)c2ccco2)cn1	743823371	LNCYMOLVDZONHT-SECBINFHSA-N	320.374	1.805	50	20	DDGD	
C[C@H]1COC[C@H]1NC(=O)NNC(=O)C(C)(C)c1ccccc1	926000998	VOQYAYCSFZYOBL-WCQYABFASA-N	305.378	1.330	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc(C2CC2)c1	848839131	YFVFTFCIARQMBH-SNVBAGLBSA-N	304.346	1.667	50	20	DDGD	
CC[C@@](O)(CC(=O)NNc1nccc(OC)n1)c1ccccc1	840262306	VRIZCYGLMJMXOS-MRXNPFEDSA-N	316.361	1.616	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1ccc(OC)cc1OC	920833777	XDIQDXAZVDZJDR-UHFFFAOYSA-N	309.366	1.764	50	20	DDGD	
O=C(CO)NNC(=O)C1(c2c(Cl)cccc2Cl)CC1	753436887	DLGFDFCBGPJIEW-UHFFFAOYSA-N	303.145	1.165	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCc2snnc2C)c1	858484136	JXYVCAAYMJBHMR-UHFFFAOYSA-N	311.392	1.361	50	20	DDGD	
C[C@H]1CCC[C@H](OCC(=O)NNC(=S)NCC2CCC2)C1	855091167	DXEXYEDFGYCRFC-AAEUAGOBSA-N	313.467	1.877	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)NC[C@@H]1CCCNC1=O	922861332	RQVWHDMDKJHBNA-JTQLQIEISA-N	310.785	1.801	50	20	DDGD	
COCCCOCCC(=O)NNC(=O)c1ccc(Cl)cc1	854149093	ZRXFCXHVZNHAIH-UHFFFAOYSA-N	314.769	1.544	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)C1(C)C	852241262	AMIMGULQTRZHQL-XXILOJSOSA-N	324.356	1.224	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](c2ccc(F)cc2)C1	755993103	APAHDHOEFVYYFH-DGCLKSJQSA-N	307.369	1.561	50	20	DDGD	
CCCc1nc(C(=O)NNC(=O)c2ccc(Cl)nc2)co1	759507751	SOTLXYXYZGUCLB-UHFFFAOYSA-N	308.725	1.750	50	20	DDGD	
CSSCCNC(=O)N1CCC2(CC1)C[C@@H](O)CCO2	922389601	LUOBIYMYTFXXMA-NSHDSACASA-N	320.480	1.713	50	20	DDGD	
CCCCN(C)c1ccc(C(=O)NNC(=O)c2cc[nH]n2)cc1	855359249	LAJUICHFRHNNJR-UHFFFAOYSA-N	315.377	1.721	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNC(=O)c2cn[nH]c2)C12CCCC2	858260629	HGPUACKMCGLIDJ-NEPJUHHUSA-N	321.381	1.092	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CC[C@@H](OC(C)C)C2)c1	858707084	JCODDRUZCBISLB-LLVKDONJSA-N	311.407	1.910	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc2c(c1)C[C@@H](C)O2	933132904	LQOHAZZJUMZUBK-LLVKDONJSA-N	301.346	1.966	50	20	DDGD	
COCCCOCCC(=O)NC[C@@]1(C)C[C@H]1Br	857389888	ULRKYXWCXNXKFL-ZYHUDNBSSA-N	308.216	1.719	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cc(C)[nH]n2)c(OC)c1	755393253	UWXRPTCVPSYIOX-UHFFFAOYSA-N	319.321	1.202	50	20	DDGD	
COC[C@@H](OC)C(=O)NNC(=S)Nc1cccc(C)c1C	854186006	DLTVFNYXNUXCLP-GFCCVEGCSA-N	311.407	1.282	50	20	DDGD	
Cc1cc(C)c(Br)c(C(=O)NNc2cnnn2C)c1	857272456	BDZIEYNNBBUKPM-UHFFFAOYSA-N	324.182	1.951	50	20	DDGD	
CCCCn1ncc(NC(=O)NNC(=O)c2cnn(C)c2)c1C	757750261	RNHFOVRUNUMSBT-UHFFFAOYSA-N	319.369	1.192	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1c(O)nnc(CC)c1CC	758186408	FZBLLOKNMCNLQT-UHFFFAOYSA-N	309.370	1.051	50	20	DDGD	
COc1ccc2c(c1)CC[C@@H](NC(=O)NNC(=O)C(C)(C)C)C2	753289040	WBTNQQQUDXUTFN-CYBMUJFWSA-N	319.405	1.929	50	20	DDGD	
O=C(NCc1cccc2[nH]ccc12)NNC(=O)[C@H]1CCCCO1	869216935	IYLZBKJDIFHUAY-CQSZACIVSA-N	316.361	1.567	50	20	DDGD	
CCCOc1ccc(NCc2ccc(B(O)O)cc2)cc1F	863892024	KJUQISSISPFADV-UHFFFAOYSA-N	303.142	1.906	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=Cc1ccccc1F	763196692	VKLKAFFDPWBKHT-UHFFFAOYSA-N	300.293	1.101	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H](C)C(=O)OC(C)(C)C)c1	862479954	IGNVMSJLBWTKOL-SECBINFHSA-N	312.391	1.795	50	20	DDGD	
COc1ccc(NNC(=O)c2ccnn2CC2CCC2)nc1	867643939	KHGLZJNQYLSCOO-UHFFFAOYSA-N	301.350	1.844	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccc(F)c(C#N)c1Cl	761785890	LKUJLPYEYRRGPI-UHFFFAOYSA-N	310.716	1.325	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)C(=O)Nc1cccc(F)c1	763958153	QFUIYADLZXVCEH-UHFFFAOYSA-N	315.304	1.534	50	20	DDGD	
CC(C)COc1ccccc1C=NNC(=O)CS(C)(=O)=O	863183825	NRWCZVXPVDHMKS-UHFFFAOYSA-N	312.391	1.216	50	20	DDGD	
N#Cc1cccc(NNC(=O)[C@@H]2CCCN(CC(F)F)C2)c1	866867209	JCKWCYDHYVSRLE-GFCCVEGCSA-N	308.332	1.978	50	20	DDGD	
CCCOc1cccnc1C(=O)NNC(=O)NC1CCCC1	760200937	PYRCAPDJAPWGBL-UHFFFAOYSA-N	306.366	1.757	50	20	DDGD	
Cn1nc2c(c1C(=O)NNc1ccccc1[N+](=O)[O-])CCCC2	764451000	DYLNAILLOSXWNI-UHFFFAOYSA-N	315.333	1.964	50	20	DDGD	
Cc1csc(CCC(=O)NNC(=O)Cn2nc(C)cc2C)n1	767440406	KZUXMGVAALKLDB-UHFFFAOYSA-N	321.406	1.045	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1cc(C)cs1	862476906	DERPJWPCZHEUME-LLVKDONJSA-N	309.391	1.219	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)OCC(F)(F)F)c2ccccc21	862217121	WXQXNCQNBWGTCD-UHFFFAOYSA-N	316.239	1.507	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1C[C@H]2CC[C@H]1[C@@H]1CNC[C@H]21	866802463	MEBVLKYZALACHB-LPWJVIDDSA-N	320.886	1.511	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NN=C1CC(C(F)F)C1	766025381	QFCLGHACVCTUOZ-UHFFFAOYSA-N	320.340	1.841	50	20	DDGD	
CCn1c(=O)n(CC(=O)N2CC=C(C#N)CC2)c2ccccc21	767159453	DEGYOBFKMKTJEW-UHFFFAOYSA-N	310.357	1.505	50	20	DDGD	
O=C(NNC(=O)c1cc2c(cc1O)OCO2)NC1CCCCC1	769602689	PDLSLCZWVQBLCC-UHFFFAOYSA-N	321.333	1.398	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)COc2ccc(F)cc2)[nH]1	1116266520	FQMWJPWZBHPYHR-UHFFFAOYSA-N	305.309	1.611	50	20	DDGD	
CC(=NNC(=O)COc1ccc(Cl)cc1)c1ccnn1C	765994314	TYUIBPCMOZQDNO-UHFFFAOYSA-N	306.753	1.993	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=Cc1cncs1	767762136	FVMJVTGOJHRBSF-QJPTWQEYSA-N	310.423	1.339	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2NC(=O)O[C@H]2C)cc1C	873763334	UWZKGHWXRAZMKZ-ONGXEEELSA-N	322.390	1.118	50	20	DDGD	
Cc1cccc(NNC(=O)NCCCN2C[C@H](C)O[C@H](C)C2)n1	875042773	YFCXFYFKJMMXOK-OKILXGFUSA-N	321.425	1.515	50	20	DDGD	
CN1C(=O)CN(C(=O)CCCC[C@@H]2CCSS2)CC1=O	774317443	HKDGAQJEMJGVNT-SNVBAGLBSA-N	316.448	1.528	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H]1CCN(Cc2ccccc2)C1	1118373411	QFXKRRWWVNIGNS-AWEZNQCLSA-N	320.462	1.412	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H](C)c2cnccc2C)n1	771439910	MMQKXLMMJJDLGQ-SNVBAGLBSA-N	302.338	1.576	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CCNC(=O)C(C)(C)C	777828746	PAXJTQUQYVHPSE-UHFFFAOYSA-N	321.377	1.469	50	20	DDGD	
COC[C@](C)(O)C(=O)NNC(=S)Nc1cccc(Cl)c1	873784858	IPTIPRWABLPMEB-LBPRGKRZSA-N	317.798	1.055	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2nnc(O)c3ccccc23)CCO1	773193057	MZEUOMJNQXODMP-SECBINFHSA-N	300.318	1.620	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ccc3c(c2)OCCO3)n1	779373672	UGWMFOQSUIFKPA-UHFFFAOYSA-N	321.724	1.240	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CCc1cccc(C)c1	771914973	VGBIYECWIPVAAQ-LBPRGKRZSA-N	306.362	1.417	50	20	DDGD	
CN(NC(=O)c1csc(-c2ccc3c(c2)OCO3)n1)C(N)=O	770437981	GWAFSIKYMOUYCU-UHFFFAOYSA-N	320.330	1.194	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C2(CN(C)C)CC2)c1	873772413	HVVCKVDVBXEMGE-UHFFFAOYSA-N	319.405	1.171	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccc(OC(C)(C)C)nc1	875467504	BJBMFAGCQUYDRO-UHFFFAOYSA-N	310.354	1.671	50	20	DDGD	
C#CCCCCCC(=O)NNC(=O)c1c(C)nc2ccccn12	779873013	PDAZYQOKDIZPDI-UHFFFAOYSA-N	312.373	1.987	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCCc2cc(C#N)ccc21	779816279	IUTXQAZLADZLAK-UHFFFAOYSA-N	300.318	1.071	50	20	DDGD	
CN(C)Cc1cc(NC(=O)NNC(=O)CC(F)(F)F)ccn1	880613780	XKPUXJSMGKYULR-UHFFFAOYSA-N	319.287	1.248	50	20	DDGD	
Cc1cc(F)c2nc(O)cc(C(=O)NNC(=O)C(C)C)c2c1	778529440	XRULEYIGOYBMMV-UHFFFAOYSA-N	305.309	1.805	50	20	DDGD	
CC(C)(C)OC(=O)NCCC=NNC(=O)c1ccc(N)cc1	771871753	GVTNIVKETROJBP-UHFFFAOYSA-N	306.366	1.899	50	20	DDGD	
C[C@H](CBr)COC(=O)c1cc([N+](=O)[O-])cnc1N	770408536	SQGCVGYQGJDNLS-ZCFIWIBFSA-N	318.127	1.760	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1cccc(O)c1)C1CCOCC1	883071989	VCBVYISWLUIIOU-UONOGXRCSA-N	304.346	1.070	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccc(S(C)(=O)=O)o1	772848113	MGYSMKHVVKJLBR-UHFFFAOYSA-N	324.362	1.353	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)[C@H](F)CC)cc1OC	1120504392	MVNXGOQKKYXXTK-LLVKDONJSA-N	312.341	1.993	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@H](O)c1ccc(Cl)cc1	887147086	XJXIKRVTQKJQDI-ZDUSSCGKSA-N	308.765	1.714	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H]1CO[C@@H](C)C1	784142664	KNDXFGVCGLRDPZ-WCQYABFASA-N	306.362	1.200	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)CO1	784143080	BUNYWVRIMOHQRP-PWSUYJOCSA-N	314.345	1.263	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2cnnc3ccccc23)C1	787998936	DTTBXIIXDLVRSQ-GHMZBOCLSA-N	313.361	1.365	50	20	DDGD	
CCOC(=O)COc1cccc(C(C)=NNC(=O)C(C)(C)O)c1	785462441	GFXTZRSNZGXWDU-UHFFFAOYSA-N	322.361	1.240	50	20	DDGD	
Cn1c(=NNC(=O)c2c[nH]nc2[N+](=O)[O-])sc2ccccc21	788275093	UFWWQNPZCZTTQV-UHFFFAOYSA-N	318.318	1.117	50	20	DDGD	
O=S(=O)(CBr)NC1CCN(CC2CC2)CC1	782421138	JJOFYBMOZZEFMK-UHFFFAOYSA-N	311.245	1.133	50	20	DDGD	
Cc1c[nH]cc(C(=O)NNc2ccc(-c3ccccc3)nn2)c1=O	781430110	ZMOWPOKEQZEXCM-UHFFFAOYSA-N	321.340	1.897	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)[C@H](C)CC(N)=O	890452295	AJFUVGUMXIAZNV-MRVPVSSYSA-N	314.183	1.712	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc(C(=O)NC2CC2)cc1	782552673	QULJLJDYWRZEGZ-UHFFFAOYSA-N	304.350	1.388	50	20	DDGD	
CCNC(=O)CC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	780853544	BLWGPLWIOMMPAE-VIFPVBQESA-N	323.418	1.160	50	20	DDGD	
COc1ccc(NCC(=O)NN=C(C)c2cc(C)nn2C)cc1	788950516	CPJWJVPATJZGKU-UHFFFAOYSA-N	315.377	1.689	50	20	DDGD	
C[C@H]1CC[C@H](NC(=O)NNC(=O)COc2ccccc2O)C1	780784195	LMFDTIPBUBQMTA-QWRGUYRKSA-N	307.350	1.290	50	20	DDGD	
Nc1ncc(C=NNC(=O)COc2ccc3ccccc3c2)cn1	781586119	HTLOZCJSHWHUHJ-UHFFFAOYSA-N	321.340	1.741	50	20	DDGD	
COc1cccc(OC)c1CC(=O)NNc1ncncc1Cl	781836558	PAGNZQJYDJRVQH-UHFFFAOYSA-N	322.752	1.833	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc([N+](=O)[O-])c(O)c2)n1	780772425	MCWXMDJXZQZNPD-UHFFFAOYSA-N	304.262	1.461	50	20	DDGD	
O=S(=O)(CCCCl)N[C@H]1CCN(C2CCCCC2)C1	882399382	DDSYKLKYJQASJK-LBPRGKRZSA-N	308.875	1.942	50	20	DDGD	
Cc1nc2ccccn2c1CNC(=O)NNC(=O)CC(C)C	898971982	DEWOKWFOTZFWCX-UHFFFAOYSA-N	303.366	1.519	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)c(O)c1	892925834	HJXRFEXOFVXPNC-RJTWHSRJSA-N	300.358	1.754	50	20	DDGD	
CCc1cncc(C(=O)NNC(=O)CCc2ccccc2O)c1	790657734	LEMABRGZVDLOLQ-UHFFFAOYSA-N	313.357	1.743	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)cc1)c1cnoc1C	799474074	ARTFJOHUERZDPY-UHFFFAOYSA-N	300.318	1.770	50	20	DDGD	
CSSCCNC(=O)N1CCC[C@@H](N2CCCC2=O)C1	790879190	OGRJFSJSUGYPEU-LLVKDONJSA-N	317.480	1.794	50	20	DDGD	
Cn1cc2c(n1)CCC[C@H]2C(=O)NN=c1cc[nH]cc1Cl	798992027	FJHPYXVICZLXGX-SECBINFHSA-N	305.769	1.454	50	20	DDGD	
C[C@H](Oc1ccc(C=NNC(=O)c2cccnc2)cc1)C(=O)O	794854106	BBKNRFVRQIWYAO-NSHDSACASA-N	313.313	1.697	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H]1CCCCN1Cc1ccncc1	1318368085	YILNBSZVWPNUHF-AWEZNQCLSA-N	318.421	1.630	50	20	DDGD	
CS(=O)(=O)C1CCN(C[C@@H](CBr)C2CC2)CC1	701844884	JOKJMWAUFWAAGC-LLVKDONJSA-N	324.284	1.917	50	20	DDGD	
CN(NC(=O)c1ncc(C(N)=O)cc1Cl)c1ccccc1	1321619321	QZQCLOLSFCGJIU-UHFFFAOYSA-N	304.737	1.615	50	20	DDGD	
C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NNc1ccn(C)n1	1328773449	VRBCSRMHJRYTKW-LLVKDONJSA-N	300.362	1.819	50	20	DDGD	
CCCN1CCCC[C@@H]1C(=O)NNC(=O)NCC(F)(F)F	1321299123	OOIJLLSXIDJKSM-SECBINFHSA-N	310.320	1.144	50	20	DDGD	
Cc1nc(CCC(=O)NNc2nncc(N)c2Cl)cs1	1324009447	QVPYCONAKFXMCD-UHFFFAOYSA-N	312.786	1.553	50	20	DDGD	
Cc1ncccc1CC(=O)NNC(=O)c1c(C)nc2ccccn12	1322036972	IKOUEWBCGXFLJJ-UHFFFAOYSA-N	323.356	1.350	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1ccnc(C)n1	1321093530	BFEWMEZTDOVNKF-UHFFFAOYSA-N	307.354	1.150	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C1CCNCC1)[C@H]1CCC[C@@H](C)C1	1327485761	IPKAWKYPLSKIRA-DYEKYZERSA-N	310.442	1.531	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(C(=O)NC)cc1C	1255538473	HNQMHTOAHQYGPG-UHFFFAOYSA-N	307.354	1.052	50	20	DDGD	
N#CCOc1ccc(NC(=O)NNC(=O)C2CCCC2)cc1	1254705508	SQKYCVOMOXBNLK-UHFFFAOYSA-N	302.334	1.932	50	20	DDGD	
O=C(CCCF)NNC(=O)c1ccc(Br)cc1	1261777659	KKKBVZHENQLJPO-UHFFFAOYSA-N	303.131	1.960	50	20	DDGD	
C[C@@](O)(CNC(=O)NNC(=O)C1CCCC1)c1cccc(F)c1	1263100377	MGEXHRJAWQCBBM-MRXNPFEDSA-N	323.368	1.554	50	20	DDGD	
Cn1cc(C[C@H](CO)NC(=O)c2cccc(CCl)c2)cn1	1358319841	FZZLVZZOERYMRB-CQSZACIVSA-N	307.781	1.492	50	20	DDGD	
C[C@]1(COC(=O)CCCCNC(N)=O)C[C@@H]1Br	1519553865	SVEHYIPSVDTUGD-GZMMTYOYSA-N	307.188	1.542	50	20	DDGD	
CCc1noc(NC(=O)NNc2cccc(C(=O)O)c2C)n1	1605877252	GMJUZVKDCSGZPA-UHFFFAOYSA-N	305.294	1.787	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)c1cn2c(n1)CCCC2	1608480311	GDXHJFBGJHWMJC-UHFFFAOYSA-N	318.308	1.814	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@@H]1Cc2cccnc2C1	1602231318	XOYBXDKCIUOYLW-SNVBAGLBSA-N	315.304	1.777	50	20	DDGD	
O=C(CCCc1nccs1)NNc1ccc(C(=O)O)cn1	1601271871	IZVMVHDVRONTOZ-UHFFFAOYSA-N	306.347	1.702	50	20	DDGD	
Cc1nn(C)c(C)c1CC(=O)NNc1cccc(C(=O)O)c1F	1600770175	MPWPHAFCLSMHNL-UHFFFAOYSA-N	320.324	1.560	50	20	DDGD	
O=C(/C=C/c1cc(C(=O)O)co1)NNc1ncc(Cl)cn1	1601234999	ILDQVAVGMOFCJU-OWOJBTEDSA-N	308.681	1.578	50	20	DDGD	
COc1cccc(NC(=O)NNc2ccc(CC(=O)O)cc2)n1	1607325881	IMQUHWYNGYYPPL-UHFFFAOYSA-N	316.317	1.866	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2coc(/C=C\C(=O)O)c2)n1	1604700559	MEAIZPBMZILQNS-ARJAWSKDSA-N	318.289	1.241	50	20	DDGD	
O=C(O)[C@H]1CCC(=NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)C1	1601792129	GIQMLTXFSHITED-QEJZJMRPSA-N	316.357	1.916	50	20	DDGD	
CC(C)(O)CCC(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1603171067	AKLABIMJQRAKHD-UHFFFAOYSA-N	324.772	1.514	50	20	DDGD	
Cn1nc2c(c1C(=O)NNc1cccc(C(=O)O)c1)CCC2	1601017802	LLHDVOREFVOUGA-UHFFFAOYSA-N	300.318	1.364	50	20	DDGD	
O=C(O)CCNC(=O)[C@@]1(c2ccccc2)C[C@H]1Br	1602015634	BWVJVVIARGCEDJ-ZWNOBZJWSA-N	312.163	1.683	50	20	DDGD	
O=C(O)Cc1cccc(NC(=O)NNc2ncc(F)cc2F)n1	1602139575	CKDHNINGOSJMOB-UHFFFAOYSA-N	323.259	1.531	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCC1(C(=O)O)CC1)c1ccccc1	1604868249	FHFQGXXFOSLGKL-GFCCVEGCSA-N	319.361	1.375	50	20	DDGD	
O=C(NN=Cc1ncc(Cl)s1)[C@H]1CN2CCC[C@@H]2CO1	1549318227	AQQGEBSWCBZFTJ-RKDXNWHRSA-N	314.798	1.110	50	20	DDGD	
Cn1c(NNC(=O)[C@H]2CCC[C@@H](C(=O)O)C2)nc2ccccc21	1610598246	GBKBUBKLIHMHIX-WDEREUQCSA-N	316.361	1.907	50	20	DDGD	
CCCCCCCC[C@H](N)C(=O)NNC(=O)c1cnn(C)c1	1577430255	XFPRTYBNVUUGML-ZDUSSCGKSA-N	309.414	1.259	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)Cc2cccc3ccccc23)CCCN1	1579509354	HODAUHAHYTXYLI-GOSISDBHSA-N	311.385	1.672	50	20	DDGD	
O=C(Cc1ccccc1C(=O)O)NNC(=O)c1ccccc1O	1574538424	LTSCNMVUBVNPFM-UHFFFAOYSA-N	314.297	1.094	50	20	DDGD	
N#CCCCC[C@@H](N)C(=O)NNc1cc(C(F)(F)F)ccn1	1580050930	RPUGJQVXHOCWQA-SNVBAGLBSA-N	315.299	1.955	50	20	DDGD	
CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(C)o1	1588776140	ZVEXUSSCPOUTMF-UHFFFAOYSA-N	310.317	1.922	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)C(C)=O)C1	1842609832	SMDHBMWZWRZOFE-LLVKDONJSA-N	300.786	1.186	50	20	DDGD	
N[C@H]1CC=C(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)C1	1580169438	ZVXFTGFXXPCFRG-LBPRGKRZSA-N	312.329	1.150	50	20	DDGD	
N[C@H]1C[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2Cl)C1	1580419071	RMIORPRJNJJUAL-WRXNHJIOSA-N	302.161	1.492	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)CC2CSC2)o1	1589775152	ZXWORCGZGQBASD-UHFFFAOYSA-N	323.382	1.174	50	20	DDGD	
C/C(=C/C(=O)NNc1ccc(C(=O)O)cc1F)c1cnccn1	1588942611	NWBGTQZOMQXRSC-TWGQIWQCSA-N	316.292	1.861	50	20	DDGD	
N#Cc1ccc(NC(=O)NNc2ccc(-c3nn[nH]n3)cn2)cc1	1592695094	CWGNBXNYGSNGNC-UHFFFAOYSA-N	321.304	1.282	50	20	DDGD	
CSc1ccc(NC(=O)NNC(=O)C2CC2)cc1C(=O)O	1599819018	HFCOTIJXFWPBEL-UHFFFAOYSA-N	309.347	1.669	50	20	DDGD	
CCO[C@H](C(=O)NNc1cccc(C(=O)O)c1)C1CCOCC1	1596762450	SLEALFBMQSMIAL-AWEZNQCLSA-N	322.361	1.660	50	20	DDGD	
CNc1nc(C)ccc1C(=O)NNc1cccc(C(=O)O)c1	1598681469	SWYKUMJADCBSMX-UHFFFAOYSA-N	300.318	1.887	50	20	DDGD	
CCn1cc(CNC(=O)NNc2ccc(C(=O)O)cc2F)cn1	1597889543	HSHLSYQMKBUTMB-UHFFFAOYSA-N	321.312	1.567	50	20	DDGD	
C[C@H]1CCN(CCNC(=O)NNc2cccc(C(=O)O)c2F)C1	1594420536	ZHCXFVRLYVRZIZ-JTQLQIEISA-N	324.356	1.492	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2ccc(C(=O)O)c(O)c2)cc1O	1776103496	LOZRADKQRUVAGZ-UHFFFAOYSA-N	314.297	1.868	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NN=Cc1cc(C#N)ccc1C(=O)O	1776102558	SFTAIJRIRFFQGU-STQMWFEESA-N	301.302	1.132	50	20	DDGD	
COCC(=O)NN=Cc1c(F)ccc2sc(C(=O)O)cc12	1776048512	BTAZUINQVCBZIG-UHFFFAOYSA-N	310.306	1.835	50	20	DDGD	
CC(=NNC(=O)c1ccc(O)nc1)c1ccc(C(=O)O)cc1C	1776094563	ZKJOWOHBBYXPAO-UHFFFAOYSA-N	313.313	1.948	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC1)[C@@H](O)CCl	1795395526	URHWDIOPYPCBNP-RNJOBUHISA-N	314.813	1.024	50	20	DDGD	
CC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc[nH]n1	1793740870	WWHRXORPWVCXDF-WRWGMCAJSA-N	324.812	1.679	50	20	DDGD	
CCc1ccc(N2C[C@H](C(=O)NNC(=O)C3CC3)CC2=O)cc1	15793826	AEUJXRIEKOLSDS-CYBMUJFWSA-N	315.373	1.159	50	20	DDGD	
O=C(COc1ccccc1F)N/N=C1/C(=O)Nc2ccccc21	8183508	NMAWQQSZVSORGQ-UHFFFAOYSA-N	313.288	1.677	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)OC)cnn1Cc1ccccc1	158855953	NIDJKUSVMYKJAO-UHFFFAOYSA-N	316.361	1.885	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H](CC)N(C)C	151116409	KDAHVKRGBLQBRY-ZDUSSCGKSA-N	307.394	1.115	50	20	DDGD	
Cc1cccc(C(=O)NNc2nccc(N3CCOCC3)n2)c1	155552311	GZHPLYVLMBCACU-UHFFFAOYSA-N	313.361	1.379	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccc3c(c2)OCC(=O)N3)cc1	155571542	NBVOCEDVCQSFAH-UHFFFAOYSA-N	308.297	1.646	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(C#N)cc1	155208201	VKSLBHAGXBOYBU-JTQLQIEISA-N	304.350	1.915	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cccc(Cl)c1	154045818	WGRFUADZGHGHNS-UHFFFAOYSA-N	303.840	1.812	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCCc1cscn1	159272521	CMKPBPRGHSYMRO-UHFFFAOYSA-N	322.365	1.398	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc3c(c2)CCC(=O)N3)nc1	159148530	MFNZNGGTTMHFHW-UHFFFAOYSA-N	312.329	1.732	50	20	DDGD	
O=S(=O)(CBr)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	374713054	UWXIDHZDJSTOFO-YIZRAAEISA-N	310.213	1.216	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)c2ccccc2)cc1	3553336	SWWMXAXMQNEKSO-UHFFFAOYSA-N	300.314	1.535	50	20	DDGD	
Cc1nn(C)c(C)c1CC(=O)NNC(=O)NC1CCCCC1	22963907	DPLYPWYJZDOMJF-UHFFFAOYSA-N	307.398	1.243	50	20	DDGD	
Cc1ccccc1[C@H](O)CNC(=O)NNC(=O)c1ccccc1	112387724	WDYMEHPIDUBOLY-OAHLLOKOSA-N	313.357	1.673	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)c2cccn2C)cc1F	102365720	YPMVNHILAAVVEQ-UHFFFAOYSA-N	305.309	1.177	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2C[C@@H]2C2CC2)c(C)c1	175874645	JURNYUDSFXYNHB-ZIAGYGMSSA-N	301.390	1.909	50	20	DDGD	
O=C(NNC(=O)[C@@H]1SCCc2ccccc21)c1ccc[nH]1	173119581	DUGLHPKFWXKTSH-CYBMUJFWSA-N	301.371	1.806	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2ccccc12)c1ccc(Cl)nc1	119503650	ZYSOXBVHSNCQOL-UHFFFAOYSA-N	315.720	1.686	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cc(C)nn1C)c1ccccc1	110343791	ULOAGDQZAAXVIB-ZDUSSCGKSA-N	300.362	1.683	50	20	DDGD	
Cc1nc(C)c(S(=O)(=O)NNC(=O)CC(C)(C)C)s1	176485669	WZOWWFLOSRIYRA-UHFFFAOYSA-N	305.425	1.506	50	20	DDGD	
CSc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)NC(C)C)c1	63269732	STCCUWHCJNYKHF-UHFFFAOYSA-N	312.351	1.669	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C(C)(C)Cc1ccccc1	117795123	SXMXJZCCTBHFMW-UHFFFAOYSA-N	300.362	1.748	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[C@H]1CCO	188470241	GZEVJTOQZBDBID-GXFFZTMASA-N	308.338	1.772	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1	68194876	OKFPWMJTJAAPGI-KBPBESRZSA-N	319.405	1.255	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)CCCc1ccc(OC)cc1	111205578	JUWWZXDZUGPXHB-CYBMUJFWSA-N	321.421	1.506	50	20	DDGD	
CCC(=O)N1CCC[C@H](C(=O)NNc2ccc(Cl)nn2)C1	118497203	GAYLRIFOURBBBN-VIFPVBQESA-N	311.773	1.222	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2cccc(F)c2)c(C)n1	120894016	SICYMCUINAHATL-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CC2(O)CCCC2)cc1	173626805	NPBQKTRSLRSRCV-UHFFFAOYSA-N	306.362	1.216	50	20	DDGD	
Cc1nc(C)c(CCC(=O)NNc2c(C)cccc2F)c(=O)[nH]1	184299132	NIBJRKRUBSOXAX-UHFFFAOYSA-N	318.352	1.910	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)o1	127448715	BBBLMSMYXOQHTB-KOLCDFICSA-N	306.366	1.157	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNc2ccnc3ccccc23)C1	127047558	XYPSMFOLPMZGQZ-LBPRGKRZSA-N	312.373	1.936	50	20	DDGD	
C[C@H]1C[C@H](CC(=O)NNC(=O)C(=O)NC2CC2)CC(C)(C)C1	66601967	KETKTCZPDJFYPO-WDEREUQCSA-N	309.410	1.265	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccc[nH]2)cnn1CCC(C)C	128486247	UQZUTLFRXLJYOS-UHFFFAOYSA-N	303.366	1.641	50	20	DDGD	
COc1cccc(NNC(=O)NCCc2ccccc2OC)n1	180801642	ZORPFENUXVPMBX-UHFFFAOYSA-N	316.361	1.968	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)Cc1cc(Cl)cn1C	120287011	CNVUUTDZNUAXJE-VIFPVBQESA-N	300.790	1.056	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cccc(CS(C)(=O)=O)c1	77219567	UEFZXJBYMNICCG-UHFFFAOYSA-N	312.391	1.038	50	20	DDGD	
O=C(NNC(=O)c1ccnc(OCC(F)F)c1)c1ccncc1	121367833	RCXZKZZJKLALCI-UHFFFAOYSA-N	322.271	1.195	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1C[C@]12CCCc1ccccc12	186146741	XXOPVKDECBEJCE-QAPCUYQASA-N	324.384	1.394	50	20	DDGD	
O=S(=O)(CBr)N1CCC[C@H]1c1ccncc1	127016733	BNVGFHNNUFFGOS-JTQLQIEISA-N	305.197	1.901	50	20	DDGD	
CC[C@@H](C)[C@H](C)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	182724811	XZODJLNRVVAWOY-MNOVXSKESA-N	306.362	1.901	50	20	DDGD	
NNC(=O)CCCOc1ccc(I)cc1	70152997	RFVMDWLIFPTFIM-UHFFFAOYSA-N	320.130	1.440	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@@H](C)C(C)C	186062752	INSWBEXIDHUSIJ-JTQLQIEISA-N	314.407	1.834	50	20	DDGD	
CO[C@@H]1CN(C(=O)NNC(=O)c2ccc(C)s2)CC[C@H]1C	187438127	GUDTZDLCNOKTLD-MWLCHTKSSA-N	311.407	1.768	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2ccccc2F)C1	73397879	XSWPHGYITVXJGI-GHMZBOCLSA-N	322.336	1.566	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1c(C)nn(CCOC)c1C	183660248	YDMPMUAJWIGGGK-SECBINFHSA-N	311.386	1.345	50	20	DDGD	
COc1cccc(NNC(=O)CNC(=O)CC2CCCCC2)n1	180687013	JYEMSXWWKJXUGN-UHFFFAOYSA-N	320.393	1.620	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CCCC[C@H]2C)n1	43047324	JWJFGWCNAVMPAJ-ZWNOBZJWSA-N	307.398	1.409	50	20	DDGD	
Cn1cc(CCC(=O)NNC(=O)c2cccnc2)c2ccccc21	133062940	NUAZROZLIZUDIQ-UHFFFAOYSA-N	322.368	1.967	50	20	DDGD	
O=C(NNC(=O)c1cccc(Br)c1)c1ccnnc1	132249144	NDBNNWCOTJETPW-UHFFFAOYSA-N	321.134	1.314	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cccc2nsnc12	48654855	YHPFBJDZSWYRTL-SSDOTTSWSA-N	314.392	1.047	50	20	DDGD	
Cc1cc(C(=O)NNc2cc(Cl)nc(N)n2)cc([N+](=O)[O-])c1	134072631	BVWVBMRJNROVML-UHFFFAOYSA-N	322.712	1.686	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)C)cc1Br	80091903	YLAGWQIMDXCSHS-UHFFFAOYSA-N	314.183	1.080	50	20	DDGD	
CCC[C@H]1CCc2nc(NC(=O)NNC(=O)CO)sc2C1	194548215	KJIKVRJJVOQRCH-QMMMGPOBSA-N	312.395	1.193	50	20	DDGD	
CCCNC(=O)CCC(=O)NNc1cc(C#N)cc(Cl)n1	93546512	CTIVWFIVFNDLHD-UHFFFAOYSA-N	309.757	1.356	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CC[C@H](N)c2ccccc2)n1	237304411	XNUVWNPMDMHSCB-ZDUSSCGKSA-N	315.377	1.717	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCC(=O)OCc1ccccc1	264571324	JFDJBQAORYAAGK-UHFFFAOYSA-N	307.350	1.106	50	20	DDGD	
Cc1cccc(C)c1OCCNC(=O)NNC(=O)C1CCC1	264748422	QOOFJWWULLGTAD-UHFFFAOYSA-N	305.378	1.813	50	20	DDGD	
CC(=O)N1CCC(CNC(=O)NN(C)c2ccccc2)CC1	264260401	JDWZVXAEDHRKDJ-UHFFFAOYSA-N	304.394	1.596	50	20	DDGD	
COc1c(C)cc(S(=O)(=O)NNC(=O)C2CCC2)cc1C	264819020	XKEMEZRHSKJZTR-UHFFFAOYSA-N	312.391	1.422	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=O)c2cnn(C)c2)c(O)c1	265349786	CWMFRENJAQFXKT-UHFFFAOYSA-N	302.334	1.324	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)COc2ccccc2F)O1	268367364	VMUDLOLVZFLPPM-MFKMUULPSA-N	310.325	1.310	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)CC	269499819	WNSNNZVQXYYIBK-SGVWJNLRSA-N	311.407	1.247	50	20	DDGD	
CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NNc1cccnn1	265497631	BEVMBOBABYFGRK-SNVBAGLBSA-N	323.422	1.257	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCOCC1CC1	264585832	SHLGWPUALXYWFN-UHFFFAOYSA-N	307.350	1.066	50	20	DDGD	
C=C(CBr)CN1CCC[C@@H](N2CCNC2=O)C1	366180482	HBZMJHBMIWHKDW-LLVKDONJSA-N	302.216	1.427	50	20	DDGD	
CC[C@H](C)Oc1cccc(NC(=O)C(=O)NNC(=O)C2CC2)c1	274013921	CPRLCQIAFXVDGZ-JTQLQIEISA-N	319.361	1.360	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)NNC(=O)c1ccc[nH]1	276898018	DMLVRMCFUSRPMJ-NXEZZACHSA-N	324.381	1.325	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNC(=O)Cc2cccnc2)C1(C)C	273608244	NBLCWSNFLJVWSI-KGLIPLIRSA-N	317.389	1.413	50	20	DDGD	
CCN(C)C(=O)[C@H](C)NC(=O)NNC(=O)Nc1ccccc1C	276952122	RPDVEIKUFWPCSE-NSHDSACASA-N	321.381	1.198	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	274362843	UNKMCADZQCQNES-BDAKNGLRSA-N	315.295	1.946	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(Cl)c(N)c(Cl)c1	272711736	XVVYBBXTRDXXQP-UHFFFAOYSA-N	305.165	1.882	50	20	DDGD	
COC(=O)/C(C#N)=C\c1ccc(OCCC(=O)O)c(OC)c1	273098214	KLLJBRXOYQIKHX-XFFZJAGNSA-N	305.286	1.629	50	20	DDGD	
COc1cccc(NNC(=O)COc2ccc(OC)c(C)c2)n1	272472928	AQTMRTJBKPMFPD-UHFFFAOYSA-N	317.345	1.929	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CC(n3cncn3)C2)cc1	370984845	JUAJZUFNLHDAMQ-VGOFMYFVSA-N	323.356	1.667	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@@H]1COc2ccccc2[C@@H]1O	288479630	VCTYKGWFUTXTKN-YPMHNXCESA-N	319.810	1.419	50	20	DDGD	
CCc1occc1C(=O)NNC(=O)CNc1ccccc1OC	281171024	DEAUWWMCWNHMKG-UHFFFAOYSA-N	317.345	1.724	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H]1C[C@@]12CCCc1ccccc12	378553841	VEAXHGPDNXZSRQ-RHSMWYFYSA-N	301.390	1.973	50	20	DDGD	
Cc1nc(C2CC2)nc(S)c1C(=O)NNC(=O)C1CCC1	283020210	JSZUBXPFZFGUHA-UHFFFAOYSA-N	306.391	1.512	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H]1CCCCN1Cc1ccccc1	370140369	MGPUDLYEIOYKAI-OAHLLOKOSA-N	318.421	1.734	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)Nc1ccccc1	288716162	CTPCXSTUVUJFLB-CYBMUJFWSA-N	304.350	1.240	50	20	DDGD	
O=C(NNc1nnc[nH]1)[C@H]1CCCCN1Cc1ccc(F)cc1	293894682	KPXDUDAIHMLEOL-CYBMUJFWSA-N	318.356	1.442	50	20	DDGD	
CCCN(NC(=O)CCN1CCOCC1)C(=O)OC(C)(C)C	804592999	MPOAQUCTHCBZHV-UHFFFAOYSA-N	315.414	1.387	50	20	DDGD	
CN(NC(=O)COc1ccc(C=O)cc1)C(=O)OC(C)(C)C	297714105	QILLWPAVYBAUBN-UHFFFAOYSA-N	308.334	1.776	50	20	DDGD	
CSSCCNC(=O)CN(C)C(=O)[C@H](C)n1cccn1	803472282	YFCQHMSWFYBMNI-JTQLQIEISA-N	316.452	1.030	50	20	DDGD	
CC(C)(C(=O)NNc1cccnn1)c1ccc2c(c1)OCO2	293554423	UDCGCBXPLCTSQQ-UHFFFAOYSA-N	300.318	1.626	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)CCCCCC#N)cc1	806364503	YIPCAXSGHZZGNJ-UHFFFAOYSA-N	318.377	1.729	50	20	DDGD	
COc1ccc(NNC(=O)c2n[nH]c3c(OC)cccc23)nc1	809792221	MQEKKWYGLGZFHG-UHFFFAOYSA-N	313.317	1.732	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N=c1cc[nH]cc1)c1ccc(F)cc1	802026843	LFZVZNYNUWZVCS-AWEZNQCLSA-N	316.336	1.989	50	20	DDGD	
COc1nnccc1NC(=O)NNc1cccc([N+](=O)[O-])c1	808902869	RKNLOQDCRLRZSH-UHFFFAOYSA-N	304.266	1.542	50	20	DDGD	
O=C(NNC(=O)c1cccc2ncccc12)NOCC1CC1	297449161	PVBHSYNIFBORPJ-UHFFFAOYSA-N	300.318	1.520	50	20	DDGD	
CSc1cccc(NC(=O)NNC(=O)c2c[nH]nc2C)n1	806781270	WMFVIIXPMLKXSZ-UHFFFAOYSA-N	306.351	1.302	50	20	DDGD	
CN(NC(=O)[C@H]1CCc2cnn(C)c2C1)C(=O)OC(C)(C)C	297226704	MCQIEJLWWJELLE-JTQLQIEISA-N	308.382	1.423	50	20	DDGD	
COC(=O)N(C)NC(=O)c1sc2nc(C)nc(N)c2c1C	804124378	NLWYGFGOFNUJMH-UHFFFAOYSA-N	309.351	1.233	50	20	DDGD	
Cc1nc(C(C)C)ccc1C(=O)NNC(=O)N=c1cc[nH]cc1	816596268	VMJOHEZYBOJBIP-UHFFFAOYSA-N	313.361	1.797	50	20	DDGD	
CC(=NNC(=O)NCc1ccc(Cl)cc1)c1cnnn1C	814847594	UWOHACYBIKYJMA-UHFFFAOYSA-N	306.757	1.692	50	20	DDGD	
CCc1nc2c(s1)C(=NNC(=O)Cc1cc[nH]n1)CCC2	814957829	QVXMJLSJKNNEON-UHFFFAOYSA-N	303.391	1.828	50	20	DDGD	
Cc1nc(-c2cccnc2)nc(O)c1CC(=O)NN(C)C1CC1	819647325	LOJDKVCSRKTVLO-UHFFFAOYSA-N	313.361	1.221	50	20	DDGD	
N#CCCCC(=O)NNc1c(F)cc(C(=O)NC2CC2)cc1F	812533826	WHGMWPZTPHOLCE-UHFFFAOYSA-N	322.315	1.994	50	20	DDGD	
COc1cc(OC)c(C(=O)NNc2ncncc2F)cc1OC	817082895	PMERAOMRRDKPPN-UHFFFAOYSA-N	322.296	1.398	50	20	DDGD	
COc1cccc(C2=NO[C@@H](C(=O)NNC(=O)CC3CC3)C2)c1	819123423	YEIALFKIGDXCAB-CQSZACIVSA-N	317.345	1.136	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cnn2c1OCCC2	815850035	VOXHHZAXVVCGRA-UHFFFAOYSA-N	303.278	1.331	50	20	DDGD	
COc1ccc(NC(=O)NNc2ncncc2F)c(OC)c1	814486558	XXJARKFHJZDPME-UHFFFAOYSA-N	307.285	1.782	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1nc(-c2ccccc2)no1)[C@@H](C)N	817933934	XSIULYRVORHFDF-ZYHUDNBSSA-N	303.366	1.799	50	20	DDGD	
Cn1cc(C=NNC(=O)COc2ccccc2O)c(C(F)F)n1	814954161	ZGXWIBODOLNBER-UHFFFAOYSA-N	324.287	1.592	50	20	DDGD	
CC(Cn1cccn1)=NNC(=O)[C@H](C)CN1CCC(C)CC1	814763585	CXDBUNZYYHSHEL-CQSZACIVSA-N	305.426	1.743	50	20	DDGD	
C#CCOc1ccc(C=NNC(=O)CN(C)C)cc1OCC	727649030	BFWQEXLFOCRLED-UHFFFAOYSA-N	303.362	1.109	50	20	DDGD	
O=C(Cc1ccncc1)NN=C1COc2cc(F)cc(F)c21	814862283	HYDTXVFJICOPDE-UHFFFAOYSA-N	303.268	1.815	50	20	DDGD	
CC(=NNC(=O)C(N)=O)c1sc(-c2ccc(C)cc2)nc1C	727650212	IDNYRXJORSZRHX-UHFFFAOYSA-N	316.386	1.752	50	20	DDGD	
CCn1nc(C)c(CNC(=O)NNc2c(F)cccc2F)n1	824701359	SCNRLERQPUELPU-UHFFFAOYSA-N	310.308	1.711	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H](C)n1ccc2ccccc2c1=O	495522813	DIDALCIWSLMTHJ-JTQLQIEISA-N	303.318	1.340	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@@H](C(F)(F)F)[C@H]1C	827276226	YVOSSCUSZKZTHL-XFWSIPNHSA-N	323.315	1.425	50	20	DDGD	
COC(=O)NNC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCC1	496790000	ITMJUILRLVKERO-SECBINFHSA-N	301.343	1.067	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cc2cnccc2[nH]1)C1CC1	824446669	PNMMIPUYQXAUPF-MRVPVSSYSA-N	303.391	1.470	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1C[C@H]1C1CCCCC1	826648719	HSURPULAJQMPFV-VZZFWQQMSA-N	309.410	1.711	50	20	DDGD	
CS(=O)(=O)CCCCNC(=O)/C(C#N)=C\c1ccc(F)cc1	491158145	CUKPXSANTJRDEZ-RAXLEYEMSA-N	324.377	1.674	50	20	DDGD	
CN1CC[C@](Cc2ccccc2)(C(=O)N2CC=C(C#N)CC2)C1=O	821435915	FFAKLKWEWHGDBM-LJQANCHMSA-N	323.396	1.760	50	20	DDGD	
O=C(/C=C/c1cncc(O)c1)NNc1ccc(-c2nn[nH]n2)cc1	826403565	VUVOLSGUPAFNKH-LZCJLJQNSA-N	323.316	1.124	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)COCc1ccccc1)C(C)C	490962087	MDZLYAGKRJCRAS-AWEZNQCLSA-N	303.362	1.191	50	20	DDGD	
CCC(F)(F)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	820114454	OKQJEGWIONNIPO-UHFFFAOYSA-N	300.261	1.264	50	20	DDGD	
Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CC[C@@H](B(O)O)C2)c1	585076986	PEEMWRHSOJYHRN-GHMZBOCLSA-N	311.574	1.491	50	20	DDGD	
CC(=O)N[C@@](C)(C(=O)NNc1nc2ccccc2[nH]1)C(C)C	827967770	UJXGLSFLAHPSAJ-OAHLLOKOSA-N	303.366	1.557	50	20	DDGD	
CC[C@H](C)CC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	496508447	PUFXAAKBPIPEKK-NSHDSACASA-N	315.414	1.875	50	20	DDGD	
CN(C(=O)/C(C#N)=C\c1cnn(C)c1)[C@@H](CO)CC(C)(C)C	491104253	NGLIRXPQDSZFSW-CNTYAEFGSA-N	304.394	1.583	50	20	DDGD	
CCN(C)[C@H](C(=O)NNC(=O)CC(F)(F)F)c1ccccc1	728601427	DICLRPGMAPTWCE-LBPRGKRZSA-N	317.311	1.779	50	20	DDGD	
CC(C)(C)c1nc(CCNCc2ccc(B(O)O)cc2)cs1	585032227	RFWBMPPNDYPWQO-UHFFFAOYSA-N	318.251	1.453	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CCCN(C)C(=O)OC(C)(C)C	490867201	FPEJWXSLOXXXQR-UHFFFAOYSA-N	315.414	1.827	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(c2cccc(F)c2)C(=O)C1	490880708	WACNURLJCUDSQK-VAWYXSNFSA-N	317.320	1.445	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)C[C@@H](CC)O1	827259913	MPQREFJLSQTZLH-FVCCEPFGSA-N	313.398	1.042	50	20	DDGD	
C[C@H]1OC(=O)N[C@H]1C(=O)NNc1cc(Cl)cc(Cl)c1	496048169	WUSDIAHFKDCKEG-MLUIRONXSA-N	304.133	1.933	50	20	DDGD	
Cc1ccccc1CCN(C)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	827267938	KMUZSQAOLDMULO-UKRRQHHQSA-N	319.405	1.635	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CCS[C@H]2C)c1	828548553	FMFCRZSBGCAQFJ-JOYOIKCWSA-N	309.391	1.993	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCn3ncnc3C2)cc1	490911638	VLPLERRNTOHEML-ZROIWOOFSA-N	323.356	1.626	50	20	DDGD	
C[C@H]1[C@@H](C(=O)NNC(=O)C2CC2)CCN1C(=O)OC(C)(C)C	492666905	BSKKEVXVBQNBDW-ONGXEEELSA-N	311.382	1.189	50	20	DDGD	
Cc1ccc([C@@H](NC(=O)c2cccc(B(O)O)c2)C2CC2)cc1	584927906	GSVDHFXQAHGEBR-QGZVFWFLSA-N	309.174	1.556	50	20	DDGD	
CCCn1cccc1C=NNC(=O)c1cccc(-c2nn[nH]n2)c1	736502718	PZDLQGRERHSHDV-UHFFFAOYSA-N	323.360	1.842	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1cnn(CC2CCC2)c1	901257225	BIOMLWRCVCJHNM-WFASDCNBSA-N	304.394	1.948	50	20	DDGD	
CC[C@H](C)[C@H](NNC(=O)COc1ccccc1F)C(=O)OC	905747185	KTSPULMXDSUKTF-HZMBPMFUSA-N	312.341	1.413	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)[C@]2(C)C[C@@H]2Br)CN1C1CC1	906942544	UPMUFWPNMPIRCF-UPBCOZELSA-N	301.228	1.901	50	20	DDGD	
COC(=O)c1ncoc1CCC(=O)NNc1ccc(F)cc1C	830802341	ZDFDIDRWOQSWAH-UHFFFAOYSA-N	321.308	1.985	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)COc2ccc(Cl)cc2)n1	834922698	WUUYIDJZOYCIKD-UHFFFAOYSA-N	321.768	1.789	50	20	DDGD	
Cc1cc(NNC(=O)c2cc3c(cc2O)OCO3)nc(C)n1	736716135	BRWHNYPVTOYHNM-UHFFFAOYSA-N	302.290	1.285	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](c2cc[nH]n2)C1	732197916	QLLSIVNCEIEZHB-QWHCGFSZSA-N	321.425	1.171	50	20	DDGD	
CCOc1cc(C=NNC(=O)c2c[nH]nc2C)ccc1OC	735410619	ODQKNJMWQOORKP-UHFFFAOYSA-N	302.334	1.889	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(C)sc1C	730575699	GHLGYPIJZOEMPC-LLVKDONJSA-N	314.432	1.640	50	20	DDGD	
C=CC(C)(C)CNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	838664934	KUURDIYJYNFFHG-UHFFFAOYSA-N	322.321	1.457	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCC2(C(=O)O)CCCC2)n1	831972670	POGOAUPKKVLSTC-UHFFFAOYSA-N	323.353	1.065	50	20	DDGD	
O=C(O)[C@H]1CCC[C@@H](C(=O)NNc2ccccc2[N+](=O)[O-])C1	833185594	XWMBTHKIYDVQMJ-ZJUUUORDSA-N	307.306	1.929	50	20	DDGD	
COc1ccc(-n2cc(C=NNC(=O)NCC3CC3)cn2)cc1	834944930	BNWFQGPEIQSNFN-UHFFFAOYSA-N	313.361	1.924	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)CC[C@H]1CCCO1	732301875	LEWDGCAQMGMDAQ-LLVKDONJSA-N	312.391	1.492	50	20	DDGD	
CO[C@H]1CC(=NNC(=O)C(=O)Nc2ccccn2)C12CCC2	834962544	XVFJTUHPMGVKSO-NSHDSACASA-N	302.334	1.081	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)cc1)[C@@H]1C[C@H]2CC[C@H]1O2	834936268	UPBUQHCETWHKJD-QLFBSQMISA-N	315.373	1.993	50	20	DDGD	
CCOCCC1(CNC(=O)c2ccc(B(O)O)cc2)CCCC1	584962776	QTIOKOAISLPDBT-UHFFFAOYSA-N	319.210	1.083	50	20	DDGD	
C[C@H]1C[C@@H](C)CN1CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	839495655	TZBRRQDTSUTDOU-MNOVXSKESA-N	320.349	1.086	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NC[C@H]2CCCCO2)cc1	836345047	FTPOIZSLMOBETM-CYBMUJFWSA-N	322.365	1.600	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)C(C)(C)c2ccccc2)n1C	900632253	AXTPNHOYHXHUOX-UHFFFAOYSA-N	300.362	1.467	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)CS(=O)(=O)C1CC1	836937097	VCVKRYBAEIIUEA-UHFFFAOYSA-N	302.783	1.669	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNC(=O)Cn1ccc2ccccc21	732288649	VLCFJAGTCRHTKL-HNNXBMFYSA-N	314.389	1.273	50	20	DDGD	
Cc1ccccc1-n1cc(C(=O)NNC(=O)CC(C)C)nn1	839475031	WRFDKGAEOAUCLT-UHFFFAOYSA-N	301.350	1.383	50	20	DDGD	
C[C@H](C(=O)NNC(=O)COc1ccc(C#N)cc1)C1CCC1	837309360	KOMHYWWBEOLIFZ-NSHDSACASA-N	301.346	1.521	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1C[C@H](C)C[C@@H]1C	839494451	LRHAJFRDLYUIOS-OCCSQVGLSA-N	303.406	1.415	50	20	DDGD	
CCc1ccc(C(C)=NNC(=O)[C@@H]2CCS(=O)(=O)C2)s1	730576904	NKXFDMCDCOYHMB-SNVBAGLBSA-N	314.432	1.585	50	20	DDGD	
Cc1ccccc1-n1cc(C(=O)NNC(=O)C2CCCC2)nn1	839522055	SSWYFLNMBFZMAE-UHFFFAOYSA-N	313.361	1.527	50	20	DDGD	
CC[C@H](C)n1nc(C(=O)NNC(=O)[C@H]2CCCCO2)cc1C	833243776	XJZNGLKQMYFJLR-GXFFZTMASA-N	308.382	1.493	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNc2ccnc(N(C)C)n2)c1	740113036	XSVAHFICDCOPCO-UHFFFAOYSA-N	315.377	1.682	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)CC(C)(C)O2	843661185	YNSWSGABCMIWBY-GWCFXTLKSA-N	318.373	1.586	50	20	DDGD	
COc1cc(C(=O)NN=Cc2csnn2)cc(OC)c1OC	915941736	YXFNJIZCTJLXMO-UHFFFAOYSA-N	322.346	1.328	50	20	DDGD	
CC[S@](=O)c1ccccc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843973300	HTVTZOFIHFDLTC-UTSGRSJNSA-N	324.402	1.000	50	20	DDGD	
O=C(CCCOc1cccnc1)NNC(=O)CC(F)(F)F	743317266	HFFNIRDGKONDES-UHFFFAOYSA-N	305.256	1.340	50	20	DDGD	
CCOc1ccc(C(=O)NN=C(C)COCCOC)cc1OC	741161660	CSSJXTLFHQCSAO-UHFFFAOYSA-N	324.377	1.863	50	20	DDGD	
O=C(NNc1cccc(F)n1)N[C@@H]1CCCN2CCCC[C@H]12	848675263	VJBKMZPUNAJDBN-VXGBXAGGSA-N	307.373	1.864	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@H](C)CC(F)(F)F)n1	840434336	VUIXIOBRLCMYGF-SSDOTTSWSA-N	307.276	1.700	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)[C@H]1CCc2ccccc2C1	844553246	RFOGIQFBXSTGEK-GJZGRUSLSA-N	302.374	1.508	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)c1ccc2c(c1)OCO2	916290394	WXIVRWMLNMOLQI-UHFFFAOYSA-N	300.318	1.530	50	20	DDGD	
Cc1nc2cc(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)ccc2o1	843658272	UFYVUHKAPOAMBS-GZMMTYOYSA-N	303.318	1.322	50	20	DDGD	
C=CC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)COCC	840462729	LUPCZDKDAOGWHP-AWEZNQCLSA-N	305.378	1.541	50	20	DDGD	
CN(C)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)CC(F)(F)F)C1	749589126	GLLPNNQGVNMUIA-RKDXNWHRSA-N	310.320	1.142	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1C(=O)Nc2c(C)ccc(C)c21	914773553	WGNNNAFHHXFEOA-UHFFFAOYSA-N	316.405	1.808	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)CSC(C)C	914462773	WCIMCSJCBKEALA-UHFFFAOYSA-N	306.391	1.545	50	20	DDGD	
Cc1cc(CC(=O)NNc2ncnc(Cl)c2C(C)C)n[nH]1	840547285	JZRMZMAADDNRGM-UHFFFAOYSA-N	308.773	1.971	50	20	DDGD	
CC(C)C(=O)N1CCCC[C@@H]1C(=O)NNC(=O)CC(F)(F)F	918367057	KSJVPVQDAJDSIK-SECBINFHSA-N	323.315	1.123	50	20	DDGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)[C@]1(O)CCOC1	840407181	KDXFDHIJPAPYAT-NSHDSACASA-N	309.124	1.727	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H](O)c1cccc(C(F)(F)F)c1	910159038	ZCJHZKJBQRRMIL-GZMMTYOYSA-N	306.284	1.083	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCC(C)(C)S(C)(=O)=O	841590165	MJOUVVWBSGLNCG-UHFFFAOYSA-N	314.411	1.229	50	20	DDGD	
CC(C)COc1cccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	843646320	KEZPKJAXTCYZBQ-IUODEOHRSA-N	320.389	1.907	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)COc1ccccc1OC	749756415	IOURNYCEROGEQI-JTQLQIEISA-N	311.407	1.368	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1cccc([N+](=O)[O-])c1	844270649	IWJJQMWBKPKZHV-UHIISALHSA-N	315.329	1.958	50	20	DDGD	
C[C@H](Oc1ccc(F)c(F)c1)C(=O)NNC(=O)c1ccc[nH]1	743746499	LWQSUZAYEHNDGY-QMMMGPOBSA-N	309.272	1.521	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(OCCCOC)cc1	749925251	ZEFHBCSXDZCEIT-UHFFFAOYSA-N	309.366	1.456	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C1C(=O)Nc2ccc(Cl)cc21	842551553	CVSTYNZQBMUDDD-CBAPKCEASA-N	307.737	1.537	50	20	DDGD	
COCCCNC(=O)NN=Cc1c(C(C)C)nn(C)c1Cl	920829363	DGCUZIRENDADSW-UHFFFAOYSA-N	315.805	1.867	50	20	DDGD	
CC[C@@H]1COCC1=NNC(=O)Cc1nc2ccccc2n1C	853271139	ZRALRGPZQRACIE-LLVKDONJSA-N	300.362	1.644	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Nc2cccc3c2ccn3C)cn1	756316704	QHRYCFPIZRRXLR-UHFFFAOYSA-N	312.333	1.378	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2nc(C)c(C)[nH]2)cc1	853265028	CBYSIHXMWRPCEP-UHFFFAOYSA-N	302.334	1.564	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)Cc2ccccc2F)ncn1	757761667	AKNYMQKNOAAORK-UHFFFAOYSA-N	319.296	1.020	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C)c1cnc[nH]1	853380016	SPZXNJAEAXVQHK-BXUZGUMPSA-N	316.365	1.151	50	20	DDGD	
C[C@]1(CNC(=O)N[C@H](CO)CC(F)F)C[C@H]1Br	856954878	KYRNBPVXBATOCR-NYNCVSEMSA-N	315.158	1.475	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)C2CCSCC2)C[C@H]1Br	857249093	ANDXVNKUPYQIER-BXKDBHETSA-N	320.252	1.988	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](C(=O)NNC(=O)OCC(F)(F)F)C1(C)C	856022409	BWDPGUINIVLMEG-JGVFFNPUSA-N	310.272	1.557	50	20	DDGD	
O=C(CCn1cncn1)NNC(=S)Nc1cccc(Cl)c1	853808778	JGSAIUCRKCODQU-UHFFFAOYSA-N	324.797	1.339	50	20	DDGD	
CCn1nncc1CNC(=O)NNc1ccc(F)cc1Cl	923386310	AKYKGXLBCHGKMA-UHFFFAOYSA-N	312.736	1.917	50	20	DDGD	
CC1(C)CN(C(=O)NC[C@]2(C)C[C@@H]2Br)CC[C@@H]1O	856959503	VPHCAFWWWPWIHI-KWBADKCTSA-N	319.243	1.962	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1	858244955	LSTOZGMOBOWYLH-MVWJERBFSA-N	323.418	1.814	50	20	DDGD	
O=C1C[C@H](NS(=O)(=O)c2ccc(CCCl)cc2)CO1	867285933	MHZPDHSMFRJKDB-JTQLQIEISA-N	303.767	1.062	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C[C@H]1CCC(=O)N1C	854457951	VHYJVSYILABEJL-SNVBAGLBSA-N	306.322	1.357	50	20	DDGD	
CCN(CCNC(=O)NC[C@@]1(C)C[C@@H]1Br)C1CC1	856831129	CEGRNZRIDYTJCL-WCQYABFASA-N	318.259	1.943	50	20	DDGD	
CCOC1(C(=O)NNc2ccccc2[N+](=O)[O-])CCOCC1	854144919	MKGUPTOKTJJBQC-UHFFFAOYSA-N	309.322	1.624	50	20	DDGD	
COc1ccc(OCC(=O)NN=C(C)C[C@H]2CCOC2)cc1	751516749	RVAHOUKRSFBTLZ-CYBMUJFWSA-N	306.362	1.993	50	20	DDGD	
CCN1CCC[C@@H](NC(=O)NNc2cc(F)ccc2F)C1=O	925988012	NYNYLVSLQAWSAK-LLVKDONJSA-N	312.320	1.602	50	20	DDGD	
COc1ccc(Cl)cc1NCC(=O)NNc1ccncn1	857521000	WNNAWNIUSXCOFT-UHFFFAOYSA-N	307.741	1.694	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2CCN(C(C)(C)C)C2)nc1	852469621	WPZHKDZGIPMXPO-LLVKDONJSA-N	307.398	1.589	50	20	DDGD	
O=C(CCc1ccncn1)NNc1ncnc2ccsc12	756863134	SURYKYUCWARMBJ-UHFFFAOYSA-N	300.347	1.557	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@@H](C)CC2(C)OCCO2)n1	758861816	GZNQWGPWCLVYRU-JTQLQIEISA-N	323.397	1.509	50	20	DDGD	
CC(C)Oc1ccccc1CNC(=O)NNC(=O)c1cn[nH]c1	858149717	SCGYIAFPSYMIKR-UHFFFAOYSA-N	317.349	1.341	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cccnc2)c(Cl)n1	757691155	VFQUSNAXHNHTNK-UHFFFAOYSA-N	321.724	1.605	50	20	DDGD	
C[C@@]1(CNC(=O)N2CCn3cncc3C2)C[C@@H]1Br	856957738	HGECJESFPFSPNR-JQWIXIFHSA-N	313.199	1.582	50	20	DDGD	
COC(=O)N1CCC(C(=O)NNc2ccc(Cl)nc2)CC1	857141217	HOTLSKACRXYOCP-UHFFFAOYSA-N	312.757	1.657	50	20	DDGD	
Cc1nnc(NNC(=O)CC[C@@H]2CC2(Cl)Cl)nc1O	856794197	UUGRNYYXQMQHJG-ZCFIWIBFSA-N	306.153	1.303	50	20	DDGD	
CCN(CC)CCSCC(=O)NNc1ncc(Cl)cn1	857729493	ZJONRCMEJBQAOZ-UHFFFAOYSA-N	317.846	1.648	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cccc(OC)c2)nc1	759730510	IUWLCAGNRZKERR-UHFFFAOYSA-N	301.302	1.634	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1csc(C(F)(F)F)c1	863071800	AFFNNELXNYTZFI-UHFFFAOYSA-N	319.308	1.839	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1cnc(C2CC2)o1	863087911	YKMKVVDIMDCXTC-UHFFFAOYSA-N	302.290	1.025	50	20	DDGD	
CC[C@@]1(C(=O)NNC(=O)Nc2ccc(Cl)cc2)CCNC1=O	868118975	FWJVZUJZYNYZIT-CQSZACIVSA-N	324.768	1.409	50	20	DDGD	
Cc1cccc(NNC(=O)c2cncc(N3CCOCC3)c2)n1	862521676	WIZXJURLFZMARS-UHFFFAOYSA-N	313.361	1.379	50	20	DDGD	
CCC(=O)N[C@H](CCSC)C(=O)NNc1cccc(C)n1	862524271	WKOQRTIYCNBKBU-LLVKDONJSA-N	310.423	1.481	50	20	DDGD	
CC(C)c1cccc(C(=O)NNC(=O)NCC(F)(F)F)n1	762162898	IWIJVLRCRVVKLN-UHFFFAOYSA-N	304.272	1.711	50	20	DDGD	
C[C@@H](C(=O)NNCC(F)(F)C(F)(F)F)C(=O)OC(C)(C)C	863101893	MAAUQZUHSLLSKI-LURJTMIESA-N	320.258	1.783	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)CC(F)(F)F)COc2ccccc2O1	862057385	BUTXAOHYAXPANR-GFCCVEGCSA-N	318.251	1.316	50	20	DDGD	
COC(=O)c1cccc(CC(=O)NNc2cc(C)ncn2)c1	760151803	ZWJFMAACVKAABR-UHFFFAOYSA-N	300.318	1.257	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCc2ccc(F)cn2)cc(C#N)n1C	764097299	LAVBVHNQQPWOEW-WLRTZDKTSA-N	323.331	1.963	50	20	DDGD	
CSCC1CCN([C@@H](C)C(=O)NNC(=O)CC(C)C)CC1	932588847	BHTMJSPTFATWPE-LBPRGKRZSA-N	315.483	1.643	50	20	DDGD	
C=C1c2ccccc2C(=O)N1CC(=O)NN[C@H](C)C(F)(F)F	862306834	PNONMRSTKVWWLD-SECBINFHSA-N	313.279	1.685	50	20	DDGD	
CS[C@H](C)CC(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	766916208	GFVQPDQFFUVGCP-LLVKDONJSA-N	324.402	1.441	50	20	DDGD	
CN1CC[C@@H](N(C)C(=O)[C@@H](Br)C(C)(C)C)C1=O	768177428	SKYCFYUJGXXXSA-RKDXNWHRSA-N	305.216	1.485	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCc1ccc(-c2ccccc2)[nH]1	768245026	PVHPVQRZQJMHKX-UHFFFAOYSA-N	315.373	1.533	50	20	DDGD	
CC(=O)NC[C@@H]1CCCCN1S(=O)(=O)CC(C)(C)CCl	867568476	LCCRIHCBOIRUPZ-LBPRGKRZSA-N	324.874	1.572	50	20	DDGD	
CC(C)c1ccccc1NC(=S)NNC(=O)C(C)(C)C(N)=O	769924122	BOHNXGTWFHGZOT-UHFFFAOYSA-N	322.434	1.639	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F	869067684	FQRRSCQQHKEHKI-ZDCRXTMVSA-N	322.327	1.928	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NNC(=O)c1ccc(Cl)nc1	862992573	GMTYZDMBQNTMGB-SNVBAGLBSA-N	310.785	1.369	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccc(COCCOC)c1	769972320	YQAPXTMALQLJPQ-UHFFFAOYSA-N	311.338	1.632	50	20	DDGD	
O=C(NNC(=O)C1(c2c(F)cccc2F)CCC1)c1cn[nH]c1	862469517	MTEXDBSVLADJBP-UHFFFAOYSA-N	320.299	1.571	50	20	DDGD	
C[C@@H](Sc1ccccn1)C(=O)NNc1ccnc(N(C)C)n1	762538951	GYWLWGCPNDYWIT-SNVBAGLBSA-N	318.406	1.562	50	20	DDGD	
O=C(NN=Cc1cscc1Cl)N[C@H]1CCS(=O)(=O)C1	771877485	RHDQAUPWXULRGW-QMMMGPOBSA-N	321.811	1.222	50	20	DDGD	
CCc1cnccc1[C@H](C)NC(=O)NNC(=O)c1ccc[nH]1	774330527	OUJZWVFVILBZKR-JTQLQIEISA-N	301.350	1.677	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N2CCN(C)CC2)c(C)n1C(C)C	773672756	IXLJALOIDYYQMU-UHFFFAOYSA-N	321.425	1.288	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1C[C@H]2CC[C@H]1C2	771966050	YDMPHQNAIOVPBO-MROQNXINSA-N	310.394	1.548	50	20	DDGD	
O=C(CCO)NN=C1CCc2cccc(Br)c2C1	1117741784	DTKVCZFUTDXBBC-UHFFFAOYSA-N	311.179	1.792	50	20	DDGD	
COc1ccc(OCC(=O)NN=C(C)[C@H]2CCCOC2)cc1	779759419	KFFMYNYSQMXILR-ZDUSSCGKSA-N	306.362	1.993	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)Cc2n[nH]c(C)n2)c1	873756410	KBVMXBVIZXDETJ-UHFFFAOYSA-N	318.406	1.290	50	20	DDGD	
O=C(NNc1ccccn1)c1ccc(N2CCOCC2)c(F)c1	777475247	VDAFIRAOPOVNBV-UHFFFAOYSA-N	316.336	1.814	50	20	DDGD	
CN(CCCNS(=O)(=O)CCCCl)CC(F)(F)F	881789702	NEFQFVWBHSMUMG-UHFFFAOYSA-N	310.769	1.419	50	20	DDGD	
CC(C)(O)CCNC(=O)NNC(=O)c1ccc2ccccc2n1	773685548	NAWXEJAYPFPIHL-UHFFFAOYSA-N	316.361	1.340	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1ccc2ccccc2c1O	779822398	DSMGRPWLDCOWDR-UHFFFAOYSA-N	315.329	1.742	50	20	DDGD	
CSCC(=NNC(=O)C[n+]1ccccc1)c1ccccc1	1116871720	SEESBLRLECEDAL-UHFFFAOYSA-O	300.407	1.858	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)c2ccccc2O)c(F)c1	777521357	QPFQTWVNIXWAEF-UHFFFAOYSA-N	316.288	1.809	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H](O)C1)c1c(Cl)cccc1Cl	874329529	SJLAVYPGJYUYFJ-KNVOCYPGSA-N	303.145	1.525	50	20	DDGD	
COc1ccc([C@@H](C)N[C@H](C)C(=O)NNC(=O)CC(C)C)cc1	774850348	PIYUNWQWKAUZOE-CHWSQXEVSA-N	321.421	1.928	50	20	DDGD	
CCCC(=O)N1CCCC[C@@H]1C(=O)NNc1ccc(F)cn1	874650117	RKSRUXHHCQQTIR-GFCCVEGCSA-N	308.357	1.845	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc2c(c1)CCN2C	779049934	UDGPAJYBQZHQPC-UHFFFAOYSA-N	324.475	1.151	50	20	DDGD	
CN(C(=O)C1CCC(Cl)CC1)[C@@H]1CCN2CCO[C@H]1C2	1123798768	OXMHYIWMZFLWPD-PQAZSJQKSA-N	300.830	1.716	50	20	DDGD	
COc1ccc(OS(=O)(=O)CCCCl)cc1[N+](=O)[O-]	882121571	LRLILQMVYQSEMW-UHFFFAOYSA-N	309.727	1.941	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cccc(NC(=O)C2CC2)c1	887139413	NXZHYRGGUJLISK-UHFFFAOYSA-N	313.357	1.600	50	20	DDGD	
O=C(CCOC[C@@H]1CCCO1)NNc1cc(F)ccc1F	885145258	VPXGICPXWCVBOU-NSHDSACASA-N	300.305	1.994	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccc([N+](=O)[O-])n2C)c1	780795858	TUEPTUIQFNHMOH-UHFFFAOYSA-N	318.289	1.477	50	20	DDGD	
C[C@H]1CCN(CCNC(=O)NNC(=O)CCc2ccccc2)C1	897433191	VOISACZOULAATF-AWEZNQCLSA-N	318.421	1.291	50	20	DDGD	
O=C(NN=CC[C@@H]1CCCCC12OCCO2)c1cnccn1	788709466	KPIKHOWCENWDDE-LBPRGKRZSA-N	304.350	1.516	50	20	DDGD	
N#CC1=CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)CC1	780686634	DIONNBPDQBKSHF-VHSXEESVSA-N	301.268	1.126	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1ccc(C(=O)O)cc1Cl	783807040	KGFZKLRKMOGUDM-UHFFFAOYSA-N	323.736	1.111	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1csc(-c2ccc(C)n2C)n1	780708776	LPEQAIINCWDDBS-UHFFFAOYSA-N	321.406	1.763	50	20	DDGD	
COCCn1ccc(C(=O)NNc2cnnc3ccccc23)n1	784782278	UERMWQZAXWBXMX-UHFFFAOYSA-N	312.333	1.230	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](C)c1ncn(C)n1	781401025	WGTADPWMBBXJFG-VIFPVBQESA-N	310.789	1.358	50	20	DDGD	
N#Cc1ccc(C(=O)NN=Cc2ccc3c(c2)NC(=O)CO3)cc1	788713450	ZPDZVLPRCPSSER-UHFFFAOYSA-N	320.308	1.653	50	20	DDGD	
Cn1nc(C(=O)NNc2ncncc2Cl)cc1OC(F)F	781835963	CLEHMHJZMDLZKW-UHFFFAOYSA-N	318.671	1.222	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccc(C)c(O)c2O)c1	781038973	KCTWCHZTHIJGGM-UHFFFAOYSA-N	316.313	1.950	50	20	DDGD	
C[C@H]1CCCN1CCNC(=O)NNc1ncnc2ccsc12	897488036	UIHPLEZWIDRROF-JTQLQIEISA-N	320.422	1.802	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@@H]2CCCCO2)c1	791162309	UXZYIKCPCPRCBH-ZDUSSCGKSA-N	306.366	1.792	50	20	DDGD	
Cc1cc(NNC(=O)c2cnnn2-c2cccc(F)c2)ncn1	790724140	PAERTFKIPIDYSN-UHFFFAOYSA-N	313.296	1.262	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CN1[C@@H](C)CC[C@@H]1C	792797597	IAQCESZJTWCTGO-STQMWFEESA-N	319.405	1.258	50	20	DDGD	
CSc1c(F)cccc1C(=O)NNC(=O)Cc1cc[nH]n1	797862730	HHIWFLJVFOCLLF-UHFFFAOYSA-N	308.338	1.274	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)c1cc(Cl)ccc1O	794902101	NXZBXDAFLMMWSV-ZDUSSCGKSA-N	300.742	1.622	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2ccc(Cl)c(OC)c2)CCC1	790175583	KCICNORUGUJYRQ-UHFFFAOYSA-N	311.769	1.708	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1cccc(CC#N)c1	794582341	VQUVZLHFYIBRFY-UHFFFAOYSA-N	310.379	1.045	50	20	DDGD	
COc1ccccc1C(=O)C(=O)NNC(=O)c1cccc(C)n1	794072116	KQJITZVRQRAOKP-UHFFFAOYSA-N	313.313	1.043	50	20	DDGD	
Cc1ccc2c(c1C)C(=NNC(=O)N1CCN(C)CC1)CCO2	790172947	APFBMEFAXHMWDY-UHFFFAOYSA-N	316.405	1.747	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@H]1CCN(CC(F)(F)F)C1	37843524	YJADKBMCBFWSCH-SECBINFHSA-N	322.780	1.419	50	20	DDGD	
Cc1c(C(=O)NNC(=O)Cc2ccncc2)ccc2cncn12	1319991568	DBPPNVQBXUHOLY-UHFFFAOYSA-N	309.329	1.041	50	20	DDGD	
CCc1cccc(OCC(=O)NNc2nncc(N)c2Cl)c1	1319303008	MDEOQXVZEDJQLK-UHFFFAOYSA-N	321.768	1.797	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)N1CCCOCC1	1324881307	PFZAMYYLNQLEQF-UHFFFAOYSA-N	316.361	1.104	50	20	DDGD	
C/C(=C/C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)c1ccco1	1327129266	XMTACPQPWQVPGB-UCQJPZFISA-N	322.361	1.808	50	20	DDGD	
Cc1ccc([C@@H](C)NC(=O)NNC(=O)C2CCNCC2)cc1	1325349778	PYGKWAPOPWZATK-GFCCVEGCSA-N	304.394	1.386	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCC2CCOCC2)c1	1325077352	OXTLLSNMBRMHRC-UHFFFAOYSA-N	321.377	1.916	50	20	DDGD	
CN1CCN(c2ccc(C=NNC(=O)C(F)F)cc2F)CC1	1320851303	KBMBRWRVZRLGRM-UHFFFAOYSA-N	314.311	1.293	50	20	DDGD	
Nc1cnnc(NNC(=O)c2c[nH]nc2-c2ccoc2)c1Cl	1322311582	ACQGEKZRQDDGIW-UHFFFAOYSA-N	319.712	1.452	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccc(OCC#N)cc1	1254911132	YPTFAKJQFFJLNS-UHFFFAOYSA-N	314.305	1.536	50	20	DDGD	
O=C(NN=Cc1cnn(Cc2ccccc2)c1)C1CCOCC1	1330917616	JLTKKCOVGBENDU-UHFFFAOYSA-N	312.373	1.808	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2C[C@@H](OC)C2(C)C)cc1	1331680754	NHCZSCJTGHSSPS-QWHCGFSZSA-N	321.377	1.453	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)/C=C\c2scnc2C)cc1	1333008649	MUWDYISTFOTJHL-FPLPWBNLSA-N	317.370	1.935	50	20	DDGD	
CC[C@H](NCc1ccc(B(O)O)cc1)c1cc(F)ccc1OC	1335115229	QYBIHUYKVOVNPJ-INIZCTEOSA-N	317.169	1.755	50	20	DDGD	
CSCCNC(=S)NNC(=O)/C=C/c1nccs1	1263758974	OINCFLYPAHFUBW-NSCUHMNNSA-N	302.450	1.015	50	20	DDGD	
O=C(NNC(=O)c1ncc(Cc2ccccc2)o1)NC1CC1	1261675260	WMUCRTFALJVFQB-UHFFFAOYSA-N	300.318	1.372	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)NCCCCC#N)C[C@H]1Br	1347952196	MULCOUMMEMPOQQ-BXKDBHETSA-N	316.199	1.086	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CC[C@@H]3OCCC[C@H]3C2)c1	1351353680	SAAMUUMSAYQYJL-RYUDHWBXSA-N	323.418	1.912	50	20	DDGD	
COc1ncc(NC(=O)C2CCC(Cl)CC2)cc1C(N)=O	1519802490	FUFRRZMWRKQECI-UHFFFAOYSA-N	311.769	1.925	50	20	DDGD	
Cc1c(NNC(=O)NCCc2ccnn2C)cccc1C(=O)O	1607552167	JAHCFYFHFOWFGS-UHFFFAOYSA-N	317.349	1.296	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccc(CC(=O)O)cc2)c1C1CC1	1608155218	DFQSHQJIBFEIHH-UHFFFAOYSA-N	314.345	1.682	50	20	DDGD	
O=C(CCc1ocnc1C(=O)O)NNc1ccc([N+](=O)[O-])cc1	1608322340	RYVLWCCVCKQEPW-UHFFFAOYSA-N	320.261	1.357	50	20	DDGD	
Cc1onc(CC(=O)NNc2cccc(F)c2C(=O)O)c1C#N	1608058946	ROIXZLWQJHVCMV-UHFFFAOYSA-N	318.264	1.378	50	20	DDGD	
O=C(NCCc1ccoc1)NNc1cccc(C(=O)O)c1F	1601513226	KKCRHNWLDONABD-UHFFFAOYSA-N	307.281	1.986	50	20	DDGD	
O=C(NNC(=O)[C@@]1(C(=O)O)CC=CCC1)OCC(F)(F)F	1605814489	CXSBKAZFCTXJID-SNVBAGLBSA-N	310.228	1.117	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)c1csc(-c2nn[nH]n2)c1	1606861023	JOSFBJTWCCSMJP-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)Nc2ccc(F)nc2)cc1	1602127860	CJIRJSKNUGSGHX-UHFFFAOYSA-N	304.281	1.996	50	20	DDGD	
Cc1onc(CC(=O)NNc2ccc(C(=O)O)c(F)c2)c1C#N	1600864580	RJCONEGAAHTVIA-UHFFFAOYSA-N	318.264	1.378	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cscc1-c1nn[nH]n1	1606863360	WURKOEOKGOQFQU-UHFFFAOYSA-N	322.741	1.129	50	20	DDGD	
COC1([C@H](C(=O)O)N(C)NC(=O)OCc2ccccc2)CCC1	1606709362	YGEBOQSGRNFYEJ-ZDUSSCGKSA-N	322.361	1.782	50	20	DDGD	
CC(=NNC(=O)CC(F)(F)F)c1ccccc1-c1nn[nH]n1	1609060854	JFFHQKJIXSDMIU-UHFFFAOYSA-N	312.255	1.659	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)cc1C(=O)O	1600463093	WCCKAZIBCQVISE-WDEREUQCSA-N	319.361	1.428	50	20	DDGD	
COC(=O)c1cccc([C@@H](NNC(=O)CCC(C)C)C(=O)O)c1	1606611411	OCCJZLGTMMIRDZ-CQSZACIVSA-N	322.361	1.656	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)nc1	1610822386	GVBJEOSXWHHFMU-UHFFFAOYSA-N	319.704	1.508	50	20	DDGD	
Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNc1ccc(C(=O)O)cn1	1610568307	DUACYDSZZIGZKL-MRVPVSSYSA-N	317.349	1.377	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)ccc1F	1549316625	HIRHPJGGONAUJL-UKRRQHHQSA-N	305.353	1.447	50	20	DDGD	
O=C(O)/C=C\c1cc(C(=O)NNC(=O)Nc2ccccc2)co1	1574666307	VQNUCRSATBUFLL-SREVYHEPSA-N	315.285	1.844	50	20	DDGD	
CCCN(NC(=O)[C@H](N)CCSC)C(=O)OC(C)(C)C	1577531115	WDYBTKOANCBQEY-SNVBAGLBSA-N	305.444	1.745	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@@H]1CCCN1C1CCCC1	1574820096	GWOKGVVCPZDHTB-ZDUSSCGKSA-N	318.377	1.630	50	20	DDGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NNc1ccccc1C(=O)O	1597322023	XJHSNFINDPRWSV-ZANVPECISA-N	307.350	1.379	50	20	DDGD	
C[C@@H]1CC[C@H](CNC(=O)NNc2ccc(F)c(C(=O)O)c2)O1	1594305433	NFGUFYNBYBAQNL-PSASIEDQSA-N	311.313	1.718	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1cccc(-c2nn[nH]n2)c1	1593159059	VFHOPEUNMFSUMM-UHFFFAOYSA-N	323.316	1.333	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)Cc1cccc(C(=O)O)c1	1592038932	DXDTXYQXNRQWNJ-UHFFFAOYSA-N	314.345	1.984	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1c(F)cc(C(=O)O)cc1F	1776129297	CPERQFRPKFJHGA-YHYXMXQVSA-N	324.283	1.723	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2ccc(/C=C\C(=O)O)o2)cs1	1776028842	RZSUTMNPHSXVPJ-UMICDYAOSA-N	319.342	1.835	50	20	DDGD	
Cc1nc(C)c(CCC(=O)NNc2ccc(F)cc2)c(=O)[nH]1	167401982	OZNBTWWEHANSFS-UHFFFAOYSA-N	304.325	1.602	50	20	DDGD	
C[C@H]1CCC[C@@H](CC(=O)NNC(=O)C(=O)Nc2ccccn2)C1	152098774	DLEOWEMBMYPKCQ-NWDGAFQWSA-N	318.377	1.384	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C[C@@H](C)c2ccccc2C)[nH]n1	153097728	HYFKNFJNZJATMG-LLVKDONJSA-N	300.362	1.981	50	20	DDGD	
CS(=O)(=O)c1ccc(C(=O)NNc2ccc(C#N)cc2)cc1	155674355	DNOCYCOEJCYPDN-UHFFFAOYSA-N	315.354	1.719	50	20	DDGD	
CCN(CCSC)CC(=O)NNC(=O)c1cccs1	830999799	VIWSWLFEPIMLCR-UHFFFAOYSA-N	301.437	1.194	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)CCc1nc[nH]n1	862286852	CMMSMVBCPKSVEV-UHFFFAOYSA-N	303.322	1.037	50	20	DDGD	
CC1CCN(CC(=O)NNC(=O)c2ccc(Cl)cc2)CC1	3538724	IIEZIRZCMGINLC-UHFFFAOYSA-N	309.797	1.833	50	20	DDGD	
O=C(Cc1cccc(F)c1)NNC(=O)c1ccc2c(c1)OCO2	8273542	FJACFFWHIXCPGW-UHFFFAOYSA-N	316.288	1.558	50	20	DDGD	
O=C(CN1CCSCC1)NNC(=O)c1ccccc1Cl	103468102	WUMIAERUQIGTBL-UHFFFAOYSA-N	313.810	1.150	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1C[C@@H]1C1CC1	176489567	AEXCEDSANCCKRV-WCQGTBRESA-N	306.337	1.787	50	20	DDGD	
CC(C)[C@H](C)CC(=O)NNC(=O)COc1ccc(C#N)cc1	67899943	XYHFNLQNWFKIDT-GFCCVEGCSA-N	303.362	1.767	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1	68194875	OKFPWMJTJAAPGI-ZIAGYGMSSA-N	319.405	1.255	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C1[C@H]2CCC[C@H]12	177618886	JRTKPWVUAMMBDQ-XDTLVQLUSA-N	306.337	1.787	50	20	DDGD	
CSC[C@@H](C)C(=O)NNC(=O)NCCc1cccs1	66829608	XQNTYKXBXPJLJB-SECBINFHSA-N	301.437	1.620	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2ccccc2C#N)o1	176686999	NKWUXJIOWHMCAZ-UHFFFAOYSA-N	305.315	1.083	50	20	DDGD	
O=C(CCn1ccnn1)NNc1cc(C(F)(F)F)ccc1F	178883231	NDEIUEAQOLOVNY-UHFFFAOYSA-N	317.246	1.969	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=S)N[C@@H](C)C2CC2)cc1C	171168226	IJPZGSOFJWFEME-LBPRGKRZSA-N	321.446	1.976	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(CCCO)CC(C)(C)C	111230188	XGKCUPQFILVAKX-CYBMUJFWSA-N	315.458	1.299	50	20	DDGD	
COc1ccc(OCCCC(=O)NNc2cccnn2)cc1	172368915	IXSMJUFRLBVBHK-UHFFFAOYSA-N	302.334	1.788	50	20	DDGD	
CC[C@H](C)N(C)CCNC(=O)NNC(=O)c1ccccc1O	171079175	KOFWLWKJBVEOJC-NSHDSACASA-N	308.382	1.067	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)NCc1ccccc1	60971588	KKLBVWROXRLJJF-UHFFFAOYSA-N	313.357	1.986	50	20	DDGD	
C[C@@H]1C[C@@H](CC(=O)NNC(=O)C(=O)NC2CC2)CC(C)(C)C1	66601968	KETKTCZPDJFYPO-MNOVXSKESA-N	309.410	1.265	50	20	DDGD	
O=C(CCl)NCc1ccc(S(=O)(=O)N2CCCC2)cc1	170496002	JVUJRYWUMWXCJU-UHFFFAOYSA-N	316.810	1.326	50	20	DDGD	
O=S(=O)(CBr)N1CC(F)(F)C(F)(F)C1	306219987	GZKXHSLWMAGXMJ-UHFFFAOYSA-N	300.071	1.255	50	20	DDGD	
Cc1nc(Cl)ccc1C(=O)NNC(=O)Cc1cccnc1	125456975	HLUZLZASSVHICE-UHFFFAOYSA-N	304.737	1.442	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)C(=O)N1CCCC1)c1ccccc1	79842195	OGXUOVZNHOZQLL-CQSZACIVSA-N	317.389	1.196	50	20	DDGD	
C[C@H](C[S@](C)=O)NC(=O)NNC(=O)c1cc2ccccc2o1	182835099	FVRJLWYCEDAVJM-CLTRCRFRSA-N	323.374	1.144	50	20	DDGD	
CSC[C@@H](C)NC(=O)NNC(=O)Cn1ccc2ccccc21	77662974	ZBIYTTHPTSXHSK-LLVKDONJSA-N	320.418	1.723	50	20	DDGD	
O=C(NNC(=O)[C@H]1Cc2cc(F)ccc2O1)c1ccccc1	126841975	XWIMNIAGXSVSHU-CQSZACIVSA-N	300.289	1.590	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccn(C3CCCC3)n2)o1	120342571	APIODNXOAXTPQC-UHFFFAOYSA-N	302.334	1.974	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H](C)C(C)(C)CN(C)C)n1	181445649	JVJMECRZTUHKLU-LLVKDONJSA-N	309.414	1.693	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CCC2	124640428	STCXFIYMINYXSU-SNVBAGLBSA-N	303.362	1.307	50	20	DDGD	
COc1ncc(C)cc1NC(=O)C(=O)NNc1ccccc1	185218508	FULPGTGBXJMPDX-UHFFFAOYSA-N	300.318	1.480	50	20	DDGD	
C[C@@H](CCS(C)(=O)=O)NC(=O)/C(C#N)=C\c1ccc(F)cc1	183589531	KVVXRSVIAOVWIO-KWJWQAOWSA-N	324.377	1.672	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)C1(O)CCCC1	188199014	CWTSFRRJLQXXPD-UHFFFAOYSA-N	305.363	1.348	50	20	DDGD	
CCOCCONC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	186895259	PLXVLAWDVUIJBR-NTUHNPAUSA-N	302.334	1.196	50	20	DDGD	
CCCc1ccccc1NC(=O)C(=O)NNc1ccc(C)nn1	123852883	JGXRGMBCMDELOX-UHFFFAOYSA-N	313.361	1.819	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2ccc(F)cc2O)c1	181154281	MQYLMCZFGWNFAP-UHFFFAOYSA-N	324.333	1.692	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)C1=CCOCC1	186977453	MKDBHJZVNFFKQW-UHFFFAOYSA-N	312.329	1.184	50	20	DDGD	
COC1(CNC(=O)NNC(=O)CCc2ccccc2)CCC1	181604802	UEECTSGUOKJBCF-UHFFFAOYSA-N	305.378	1.519	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	133604661	HPKIYEMVCZJQQT-GFCCVEGCSA-N	316.361	1.448	50	20	DDGD	
CCc1ccc(CC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1	131483410	SXUCPVFMXRKQLG-OAHLLOKOSA-N	324.446	1.284	50	20	DDGD	
O=C(Cc1ccc2c(c1)NC(=O)C2)NNc1ccncc1Cl	133888776	KAOUVHSUYSDRAE-UHFFFAOYSA-N	316.748	1.915	50	20	DDGD	
Cc1cccc(S(=O)(=O)NNC(=O)CC(C)(C)C)c1C#N	137450933	FYSLUXLXEIPXRJ-UHFFFAOYSA-N	309.391	1.612	50	20	DDGD	
COC1CCC(CC(=O)NNc2cc(Cl)nc(N)n2)CC1	134048474	SULNIEGQQTZNMW-UHFFFAOYSA-N	313.789	1.751	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C2CCC(O)CC2)cc1	194928781	KCLLLADQGJPIAC-UHFFFAOYSA-N	320.389	1.326	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1c(F)ccc(F)c1F	133489452	HQYZXJFIUFRLTF-UHFFFAOYSA-N	313.235	1.841	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2ccc(F)cc2)nc(C)n1	130467672	ZAUDRUCXBAZWBZ-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)c2ccc(C)o2)cc1	84461459	JKWIXQDMMHCARA-UHFFFAOYSA-N	310.331	1.220	50	20	DDGD	
O=C(NNC(=O)c1cc(F)c(F)c(F)c1F)c1ccc[nH]1	136030585	FAUZCKVOLVCCAK-UHFFFAOYSA-N	301.199	1.646	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)Cc1nc2ccccc2n1C	42237002	QHYSVLAEZYCPEK-UHFFFAOYSA-N	302.378	1.699	50	20	DDGD	
COc1nccnc1NNC(=O)c1cn(C)nc1-c1ccccc1	132071297	AUKACOLJKQUPHI-UHFFFAOYSA-N	324.344	1.643	50	20	DDGD	
CC(=O)Nc1cc(NC(=O)NNc2cnccn2)ccc1F	92225878	ZPAQKXKTEGKZNT-UHFFFAOYSA-N	304.285	1.723	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)COc1ccc(C#N)cc1)C(C)(C)C	265279922	OJJCOBCEAIHHGV-NSHDSACASA-N	303.362	1.767	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1csc(NC2CC2)n1	269077561	HNNXCXMUZAWKOD-UHFFFAOYSA-N	305.363	1.131	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C2CCSCC2)c1	264835367	BOZGEESMSQQNMP-UHFFFAOYSA-N	308.403	1.664	50	20	DDGD	
CC(C)c1ccc(CNC(=O)NNC(=O)c2cnn(C)c2)cc1	265416802	ONEOASVKFNLMMS-UHFFFAOYSA-N	315.377	1.688	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2F)CCO1	271504917	LDQSLUBGJGAKNB-FZMZJTMJSA-N	323.368	1.973	50	20	DDGD	
C[C@H](CO)CCCNC(=O)NNC(=O)C(C)(C)c1ccccc1	270497445	JYGBXRHEFQSKPU-ZDUSSCGKSA-N	321.421	1.703	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2C[C@]23CCOC3)cc1	369934066	QINGJCGXMKDANU-YOEHRIQHSA-N	318.373	1.202	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H]1CCc2nccn2C1	364717576	KKIZXMBDTQJCAY-JTQLQIEISA-N	317.301	1.968	50	20	DDGD	
Cc1cccnc1NNC(=O)NC[C@H]1CCN(CC(C)C)C1	276603093	CHSRTYSCZVIPSI-CQSZACIVSA-N	305.426	1.994	50	20	DDGD	
CC(C)Cn1ncc(C(=O)NN(C)C(N)=O)c1-c1ccccc1	277238060	CGEGSXZCUKGIIB-UHFFFAOYSA-N	315.377	1.861	50	20	DDGD	
C[C@H](O)C(=O)N1CCN(/C(=C/C#N)c2ccc(F)cc2)CC1	270852596	IFMBNZAFEYQYKE-FCGPPKDQSA-N	303.337	1.215	50	20	DDGD	
COCCOc1cc(OC)ccc1C(=O)NNc1cccnn1	276420849	CWJFGVZUPPYUHO-UHFFFAOYSA-N	318.333	1.267	50	20	DDGD	
CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	273259241	MRPKVCCIWGYKJH-JTQLQIEISA-N	322.365	1.523	50	20	DDGD	
CC1=C(C)CN(CC(=O)NNC(=O)Cc2nc(C)cs2)CC1	280823548	VBHXAQBZLDJIQT-UHFFFAOYSA-N	322.434	1.184	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNc1nc(O)c2ccccc2n1	282172660	KVTAVJGCKQTKPY-YGOYTEALSA-N	302.334	1.592	50	20	DDGD	
N#CCOc1ccc(CC(=O)NNC(=O)Nc2ccccc2)cc1	801984940	PQJIUXYPXNBJQZ-UHFFFAOYSA-N	324.340	1.984	50	20	DDGD	
CSSCCNC(=O)CS[C@@H]1CCS(=O)(=O)C1	803476495	YEZKFATUWUHIRA-MRVPVSSYSA-N	315.507	1.034	50	20	DDGD	
Cc1[nH]c(C=NNC(=O)c2ccc3c(c2)OCO3)cc1C(=O)O	800804563	CFCPFPCKEHLXSO-UHFFFAOYSA-N	315.285	1.514	50	20	DDGD	
Cc1nc(C(C)C)ccc1C(=O)NNC(=O)[C@H]1CCCCO1	295347968	ILCULLPKINQOTK-CQSZACIVSA-N	305.378	1.844	50	20	DDGD	
CCS(=O)(=O)c1cccc(CC(=O)NCC(Cl)Cl)c1	294780425	UJQWTUXMDIWGFL-UHFFFAOYSA-N	324.229	1.943	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc(OC(F)F)cc1	295578359	ODPDKMWHWXJNEZ-LLVKDONJSA-N	314.288	1.618	50	20	DDGD	
O=C(NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)NNc1ncncc1F	292935732	FPNXYQGESOPAGW-BZPMIXESSA-N	313.336	1.828	50	20	DDGD	
CO[C@@H]1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)[C@@H](C)C1	298565305	PTSJNKOYWHAZBV-SMDDNHRTSA-N	323.368	1.086	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@@H]1CCO[C@@H](C2CC2)C1	298242670	JGKSLEAPWWGEEO-ZYHUDNBSSA-N	312.320	1.944	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CCc2cnc[nH]2)c1C	806375943	UQMSIYHGHDTPGZ-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
Cc1nsc(C)c1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	814185642	MCMNJEKMAVZCDU-UHFFFAOYSA-N	320.330	1.743	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCC(C)CC1)c1cnnn1C	814763538	BSUGDGUFOQZDQT-GFCCVEGCSA-N	306.414	1.023	50	20	DDGD	
C=C(C)C(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	819017625	IXCHLNTXSXPMPA-UHFFFAOYSA-N	303.362	1.683	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)c2ccccc2O)[C@]12CCCO2	819801595	LDKLYIZEMYHFRK-GDBMZVCRSA-N	304.346	1.836	50	20	DDGD	
COC1([C@@H](C)NC(=O)NN(C)c2ccccc2)CCOCC1	817177024	BEZWEDSADBTYDB-CYBMUJFWSA-N	307.394	1.921	50	20	DDGD	
CN(NC(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2)C1CC1	819646654	BGWVOGVKNPZAHP-UHFFFAOYSA-N	322.430	1.465	50	20	DDGD	
Cc1cc2c(cc1C)[C@@H](C(=O)NNC(=O)c1ccnnc1)CO2	817693370	NSPHAJBGHPZFGY-ZDUSSCGKSA-N	312.329	1.031	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@](C)(O)c2ccc(Cl)cc2)o1	815769464	IOVFABYNSFKPGY-OAHLLOKOSA-N	322.748	1.910	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NNC(=O)C(C)(F)F)n[nH]1	815887037	QXBGGEXMXGEASN-UHFFFAOYSA-N	324.287	1.502	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1nnn(-c2ccccc2)c1C	814954518	HDDOWJYLRCMVDT-UHFFFAOYSA-N	323.360	1.382	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cc(Br)cnc1Cl	725879480	HZEKIWZDJLQLSQ-UHFFFAOYSA-N	320.574	1.915	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCc2cncs2)c(O)c1	814406960	QWLRLXMYASDJBR-UHFFFAOYSA-N	305.359	1.551	50	20	DDGD	
CC(C)CN(CC(=O)NNC(=O)C(C)C)c1ccc(C#N)cc1	828183663	BMWJLSWWHGRQTJ-UHFFFAOYSA-N	316.405	1.824	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)Nc2ccc(N(C)C)cc2)CO1	827612455	LYDRBCAECWWTMU-JQWIXIFHSA-N	321.381	1.266	50	20	DDGD	
CCC(CC)NC(=O)NNC(=O)CNC(=O)OC(C)(C)C	494742879	SBFCCCTZWVSNLG-UHFFFAOYSA-N	302.375	1.030	50	20	DDGD	
C[C@@H](Oc1ccccn1)C(=O)NNC(=O)NC1CCCCC1	823644802	HOCAMCWDWCJCAC-LLVKDONJSA-N	306.366	1.512	50	20	DDGD	
COC(=O)[C@@]1(C)CCCN(C(=O)/C(C#N)=C/c2cnn(C)c2)C1	491129512	GUNCODNULUMJGP-UDYBNVKDSA-N	316.361	1.129	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC1(C(N)=O)C2CC3CC(C2)CC1C3	490969711	FJHAAFAIVXFQBS-XFXZXTDPSA-N	317.389	1.227	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NOCC2CCC2)c1	824022146	IZKDLBADDVIJMD-UHFFFAOYSA-N	306.366	1.428	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cccc(-c2cn(C)nn2)c1	825699224	SRLCVAXTZLOXTG-UHFFFAOYSA-N	316.365	1.681	50	20	DDGD	
COC(=O)N(C)NC(=O)C[C@H](c1ccccc1)c1ncc[nH]1	496942172	XABQIRCSXITZED-GFCCVEGCSA-N	302.334	1.661	50	20	DDGD	
CN1C(=O)CC[C@H]1CC(=O)NNc1nc(-c2ccccc2)no1	827106598	WSOFMXNNRRSILQ-NSHDSACASA-N	315.333	1.191	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCc2ccc(F)c(F)c2)cn1	490691033	DXMMGNBDYOALCW-QCDXTXTGSA-N	302.284	1.922	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1nc2n(n1)CCCC2	491102193	HBAJPQWHHDUCQZ-XFXZXTDPSA-N	309.329	1.866	50	20	DDGD	
COC(=O)NNC(=O)c1cnc(OCc2ccccc2)cn1	496545234	ZGXKBQRQXSKOMO-UHFFFAOYSA-N	302.290	1.056	50	20	DDGD	
COC(=O)N(C)NC(=O)C[C@](O)(c1ccc(C)o1)C(F)(F)F	495626396	PUQVDKVNSDHEPD-NSHDSACASA-N	324.255	1.457	50	20	DDGD	
CCCN1CC[C@H](NC(=O)NNc2cccc([N+](=O)[O-])c2)C1	823054974	YIDZEKLVZUCLAX-LBPRGKRZSA-N	307.354	1.705	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(C)(C(=O)NNC(=O)c2ccc[nH]2)C1	496048622	XOPASSYKAUXGDJ-UHFFFAOYSA-N	322.365	1.033	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1	823202373	HXMCGQJIKXDEBK-LBPRGKRZSA-N	316.279	1.686	50	20	DDGD	
Cc1nn(C(C)C)c(C)c1NCc1ccc(B(O)O)cc1F	585020283	RIRZLGUWOGOROO-UHFFFAOYSA-N	305.162	1.512	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cn1nc(C(F)F)cc1C1CC1	821783351	HNGYCAYXGYEHCL-UHFFFAOYSA-N	315.324	1.391	50	20	DDGD	
CC(C)(C)OC(=O)NCCC=NNC(=O)NCC(F)(F)F	493967960	CWJOAKLICIWLCE-UHFFFAOYSA-N	312.292	1.749	50	20	DDGD	
C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)/C(C#N)=C/c1cnn(C)c1	491051198	RSURDJVPIKBYPY-IJYFPTTCSA-N	313.405	1.412	50	20	DDGD	
COC(=O)N1CCC(NC(=O)[C@@]2(C)C[C@H]2Br)CC1	906404542	LWMDRCXMYQBXEO-SKDRFNHKSA-N	319.199	1.507	50	20	DDGD	
CN(CCc1ccccc1)CC(=O)NNc1ncccc1F	822853575	SHQLRHFSNIUZPD-UHFFFAOYSA-N	302.353	1.838	50	20	DDGD	
C[C@H]1CCCCN1CCCCNCc1ccc(B(O)O)cc1F	585015718	KTMQWMXYKWRAFQ-AWEZNQCLSA-N	322.233	1.250	50	20	DDGD	
CCn1cc(C=NNC(=O)COc2ccc(C)c(C)c2)nn1	901129966	KRYIUUVZMYIHIP-UHFFFAOYSA-N	301.350	1.444	50	20	DDGD	
O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)c1ccc(B(O)O)cc1	584981600	YSLIQHFZVXJRFB-SJLPKXTDSA-N	323.201	1.823	50	20	DDGD	
C#CCCCC(=O)NN=C1CCN(CCCC(=O)OC)CC1	901324581	UOYNTNZJDLUGRG-UHFFFAOYSA-N	307.394	1.311	50	20	DDGD	
O=C(c1cc(C2CC2)nc2ccccc12)N1CC[C@@H](B(O)O)C1	585070470	XOEMRBCBNBCEJT-GFCCVEGCSA-N	310.162	1.801	50	20	DDGD	
CO[C@H](C)[C@H](C)NC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836418588	OQCFTEONOGGVQH-DTWKUNHWSA-N	324.337	1.174	50	20	DDGD	
CC(C)COc1ccccc1C(=O)NNC(=O)N1CCOCC1	731342473	LTRVEZKHRMVDDK-UHFFFAOYSA-N	321.377	1.408	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)OCCCC(=O)OC(C)(C)C)cn1	837971872	QPJOVISFWXGACJ-JYRVWZFOSA-N	319.361	1.992	50	20	DDGD	
OB(O)[C@@H]1CCN(c2nc3ccccc3nc2N2CCCC2)C1	585072393	AJXUEWTWDMSNAM-GFCCVEGCSA-N	312.182	1.283	50	20	DDGD	
CC(C)[C@@H](NCc1ccccc1B(O)O)c1ccc(F)cc1	585042193	KRUHEPBVQRMDGQ-QGZVFWFLSA-N	301.170	1.992	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H](O)C2CCCCC2)cc1F	837057742	IKCKOAOGAWJQCW-AWEZNQCLSA-N	324.352	1.997	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C[C@@H]1C[C@H]2CC[C@H]1O2	836663338	GXUWYPFSLAPTOI-DMDPSCGWSA-N	304.346	1.414	50	20	DDGD	
Cc1ccc2c(c1C)C(=NNC(=O)C(=O)NC1CC1)CCO2	737427457	LTIPPXSQQPAEIF-UHFFFAOYSA-N	301.346	1.185	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cccc(C2OCCO2)c1	833246671	PGEZWVZFQNCRIV-ZDUSSCGKSA-N	320.345	1.062	50	20	DDGD	
CC(C)CSCCNC(=O)NNC(=O)[C@@H]1CCCCO1	836378347	ZUSQVITUJYLMTM-NSHDSACASA-N	303.428	1.275	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc(Br)nc2)ccc1=O	732838053	HAPSWBDRNHRPHB-UHFFFAOYSA-N	323.150	1.300	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(OC)c(Br)c1	837622110	PVAUSMRPPMLINJ-UHFFFAOYSA-N	317.183	1.681	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1c[nH]c2ccccc2c1=O	919750967	KHIQAHJISAIUCO-UHFFFAOYSA-N	313.235	1.242	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)OCCOCC(F)(F)F)cn1	837972269	SUJWWQJQPRRJBB-WMZJFQQLSA-N	303.240	1.449	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NNc1cccc(Br)n1	837210522	QSNXDDNHNNNCKQ-YUMQZZPRSA-N	300.156	1.712	50	20	DDGD	
C=CCONC(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1	838702847	XQKKJQVWOWIIDL-UHFFFAOYSA-N	323.349	1.544	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](COC)C(=O)O)cc1	833663431	JGXOBRFIQKTYAB-CEFACKQISA-N	318.329	1.208	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1cccc(C#N)c1	915953209	RTOCWNVLSXQTSX-ZDUSSCGKSA-N	314.389	1.367	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCc2ccon2)cc1C	747596363	MZEBPTCRVDXUOW-UHFFFAOYSA-N	318.333	1.201	50	20	DDGD	
O=C(NN=Cc1ccccc1Br)C(=O)NC1CC1	744823758	FBRTXIWGPGJZLG-UHFFFAOYSA-N	310.151	1.178	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cnn3cccnc23)n1	748335643	PUIWYPOEVXUNAU-UHFFFAOYSA-N	303.713	1.238	50	20	DDGD	
Cc1cccc(N2C[C@@H](C(=O)NN(C)C[C@H](C)O)CC2=O)c1C	910176151	YWOGLPWJTJDJMF-JSGCOSHPSA-N	319.405	1.000	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2ccccc2[N+](=O)[O-])c1[N+](=O)[O-]	749718999	AMJLXXGQIHGIEU-UHFFFAOYSA-N	306.238	1.291	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2ccc(OC)c(F)c2)n1	916595409	HLCYSPAQRHXDQD-UHFFFAOYSA-N	321.312	1.459	50	20	DDGD	
O=C(NN=C[C@@H]1CCOC1)c1cc(Br)ccc1O	741769197	VMLSETOFNIPYPB-QMMMGPOBSA-N	313.151	1.907	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)COC/C=C\c1ccccc1	843652096	HSLZYCQUSJTPTD-SYFOGONKSA-N	318.373	1.289	50	20	DDGD	
C[C@H](N)CNC(=O)NNC(=O)CSc1ccc(Cl)cc1	841984483	KNCJEYXTFSDWFS-QMMMGPOBSA-N	316.814	1.110	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)CSC(C)C	914458699	JCIHKVFXQALMHY-UHFFFAOYSA-N	310.419	1.917	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccc2c(c1)C(=O)CCC2	841135909	PMSOHBLWFFJAKO-UHFFFAOYSA-N	304.350	1.097	50	20	DDGD	
O=C(COc1cccc(Cl)c1)NNc1ncnc2[nH]cnc12	743471055	PCZFNDAFAXTXQX-UHFFFAOYSA-N	318.724	1.528	50	20	DDGD	
C[C@@H](NC(=O)NNc1cc(F)ccc1F)c1nnc2n1CCC2	917457202	HRJSSCLFBVTBIO-MRVPVSSYSA-N	322.319	1.890	50	20	DDGD	
CC1(C)Cc2cccc(C(=O)NNC(=O)Cc3cc[nH]n3)c2O1	847452206	KUOAZYMGIDBHRM-UHFFFAOYSA-N	314.345	1.127	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NN(C)C[C@@H](C)O)no1	910171030	QOMGZZVPDOIKOQ-SNVBAGLBSA-N	305.334	1.308	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccccc1C(F)(F)F	843637484	CNXJQGBGKHYWMM-IUCAKERBSA-N	316.279	1.891	50	20	DDGD	
O=C(NNc1cccc(F)n1)N[C@@H]1CCN(CC(F)F)C1	841596360	ZTPUWUXAJONUGR-MRVPVSSYSA-N	303.288	1.186	50	20	DDGD	
O=C(NCCc1ccc(O)cc1)NNC(=O)c1ccccc1O	749347709	YGNKDFWQOSQJDE-UHFFFAOYSA-N	315.329	1.285	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)C2CCCC2)C12CCC2	745849770	CNQVDEWSOWOBLO-CHWSQXEVSA-N	309.410	1.855	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=S)N[C@H](C)CC	749758413	RQZGBQBHBFMXCS-LLVKDONJSA-N	309.435	1.922	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccc(C(=O)N(C)C)cc1	842560091	KTSSLVHRSGOYHH-IUODEOHRSA-N	317.389	1.654	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1ccc(F)cc1Cl	748136864	UJWMNRVLUVODBO-UHFFFAOYSA-N	311.744	1.942	50	20	DDGD	
CCC(=O)Nc1cccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	843647939	VJNICIANXOAKOD-GWCFXTLKSA-N	319.361	1.221	50	20	DDGD	
Cc1nnc(CC(=O)NNC(=O)c2cccc3ccccc23)o1	741575867	PYSMRSYDJRVFMD-UHFFFAOYSA-N	310.313	1.535	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1cccc2ccoc12	842590785	SIZWIEWWKKUPDB-ONGXEEELSA-N	324.358	1.167	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@@H]2CCC(=O)C2)c1	843870957	ASISIXLZAOIOCA-SNVBAGLBSA-N	304.350	1.592	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)C1CCOCC1	848319042	FOPZVEMSEDSCKL-UHFFFAOYSA-N	301.144	1.109	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H](c1ccccn1)C1CC1	925566324	GVIOHECIYJTHOE-JKOKRWQUSA-N	318.377	1.288	50	20	DDGD	
CC[C@H](CC#N)NCC(=O)NNC(=O)c1cccc(Cl)c1	846988049	QDHWEYHJQLSARK-GFCCVEGCSA-N	308.769	1.383	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCCCN2CCCC2)n1	746626335	ZOJJBIDUXKJOKG-UHFFFAOYSA-N	307.398	1.503	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N[C@H]1CCCNC1)c1ccccc1	841940944	JHBFEYXYQNRDEX-ZDUSSCGKSA-N	304.394	1.047	50	20	DDGD	
CN(C)C1(CNC(=O)NNc2cc(F)c(F)c(F)c2)CC1	923004724	WQQDDSMIURDBOO-UHFFFAOYSA-N	302.300	1.824	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(c2ccncc2)C[C@H]1C	925488352	SGFASTFQHFOQCU-MNWMYKRDSA-N	300.362	1.563	50	20	DDGD	
CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(C)c(C)c1	920380159	HEUWFGZQJVOLBT-AWEZNQCLSA-N	323.418	1.514	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1ccc([S@](C)=O)cc1	842552005	GVDKIXDJQRYUQD-QUSSIACISA-N	308.403	1.689	50	20	DDGD	
COC(=O)N(C)CCNC(=O)NNc1ccc(Cl)c(C)c1	923309294	UAQIAMNQVYQZPE-UHFFFAOYSA-N	314.773	1.973	50	20	DDGD	
O=C(NN=Cc1ccc(Br)nc1)N1CCOCC1	756881169	FDNHNJAIIODWOF-UHFFFAOYSA-N	313.155	1.220	50	20	DDGD	
CCCn1nccc1C(=O)NNC(=O)CNc1ccccc1	856773388	XFYIZBPJSOJXJB-UHFFFAOYSA-N	301.350	1.166	50	20	DDGD	
CNC(=O)C1(C(=O)OC[C@@H](CBr)C2CC2)CC1	859547314	FONJVUBIFXERFX-SECBINFHSA-N	304.184	1.477	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)CCC2CCC2)cc1	750390035	KJIAVBMGPHKWCX-UHFFFAOYSA-N	318.373	1.880	50	20	DDGD	
CNC(=S)N(C)NC(=O)CSCC(=O)c1ccccc1	854926355	XKKPOOJJVRIJEC-UHFFFAOYSA-N	311.432	1.070	50	20	DDGD	
C[C@H]1COC(C)(C)CN1C(=O)NNC(=O)c1ccc(C#N)cc1	753113439	VNAPVSDOSGEFSV-NSHDSACASA-N	316.361	1.412	50	20	DDGD	
O=C(NN=CCc1cccc(Cl)c1)[C@@H]1CN2CCC[C@@H]2CO1	853390062	KGUUEOUYPCWWMK-CABCVRRESA-N	321.808	1.848	50	20	DDGD	
CC[C@H](CCO)CNC(=O)NC[C@]1(C)C[C@@H]1Br	856953657	MLOYYRUAZFAWBQ-SCVCMEIPSA-N	307.232	1.868	50	20	DDGD	
C[C@]1(CNC(=O)c2coc(C(N)=O)c2)C[C@H]1Br	857394889	PKWQGKTWTWRECB-LDYMZIIASA-N	301.140	1.282	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)C2CC3(CC3)C2)cc1	850213270	YHNPGFCLSDYDIN-UHFFFAOYSA-N	316.357	1.489	50	20	DDGD	
C#C[C@@H](CC)NC(=O)NNC(=O)COc1ccccc1CC	854069798	ZNOAPZFEEKBPMD-ZDUSSCGKSA-N	303.362	1.370	50	20	DDGD	
CCCCCCN(C)CC(=O)NNC(=S)N[C@@H](C)C1CC1	855100990	MXHWJBBGRDAKAU-LBPRGKRZSA-N	314.499	1.792	50	20	DDGD	
CN1CCC[C@H](NC(=O)NC[C@@]2(C)C[C@H]2Br)C1=O	856840265	OTBRCLIJGAFJMK-YGOYTEALSA-N	318.215	1.080	50	20	DDGD	
O=C(NCC[C@H]1C[C@H]2CC[C@H]1O2)NNc1ncc(Cl)cn1	856915009	FQBQSFJQJLIONU-JMJZKYOTSA-N	311.773	1.714	50	20	DDGD	
CC(=O)NC[C@@H]1CN(C[C@H](CBr)C2CC2)CCO1	859146109	ROPCBEZNTFDHEA-QWHCGFSZSA-N	319.243	1.244	50	20	DDGD	
CCC1(C(=O)NNC(=O)c2cccc(Cl)n2)CCOCC1	857323636	TWPYQWXRCUENJA-UHFFFAOYSA-N	311.769	1.703	50	20	DDGD	
Cn1nc(C(F)(F)F)cc1C(=O)NNc1ncncc1F	857511429	NNLLEYBJZWFTSF-UHFFFAOYSA-N	304.207	1.125	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1cccnn1	858132739	JRCXJLZHZCYQCN-UHFFFAOYSA-N	314.389	1.844	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)NC(=O)NNc1ncc(Cl)cn1	856912548	MOJSXKDFLTWOSF-QMMMGPOBSA-N	309.761	1.121	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccccc1COC(C)(C)C	857273188	NPTNJCAYQWKWLO-UHFFFAOYSA-N	303.366	1.887	50	20	DDGD	
CN(CCCC=NNC(=O)c1cc[nH]n1)C(=O)OC(C)(C)C	853391439	MJNVAHQGMRHINI-UHFFFAOYSA-N	309.370	1.772	50	20	DDGD	
C[C@@H]1CCC[C@@H](N2CCC(=NNC(=O)[C@@H]3CCC(=O)N3)CC2)C1	863148799	KVTBJGNCXPINGZ-YUELXQCFSA-N	320.437	1.412	50	20	DDGD	
CC(C)[C@H](NC=O)C(=O)NNc1ncc(Cl)cc1Cl	860938093	MNTNEKNKDRWTIR-VIFPVBQESA-N	305.165	1.602	50	20	DDGD	
CC[C@@H](C)CN(CC)CC(=O)NNC(=O)c1ccc(C#N)cc1	764284137	XSRCNHPDKRUFCQ-CYBMUJFWSA-N	316.405	1.687	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@H]1CCSC1	761783895	GTHUWJUXNFCHQY-NSHDSACASA-N	324.402	1.365	50	20	DDGD	
COCCOC1CCC(C(=O)NN=c2cc[nH]c(C)c2)CC1	862512563	ZRBVANVXWQEAJS-UHFFFAOYSA-N	307.394	1.477	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2ccn(C)c2c1	869068237	OIFLIKLBVHGMAK-MFKMUULPSA-N	301.346	1.364	50	20	DDGD	
COc1nccnc1NNC(=O)C(=O)Nc1cc(C)ccc1F	766272897	YKSNMPXROXRAAK-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
C#CCCN1CCN(C(=O)[C@H](Br)C(C)(C)C)CC1	767930918	HHTKEONXRZBBGC-LBPRGKRZSA-N	315.255	1.964	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2c(C)nn(CC(F)F)c2C)n1	760827508	YQKATEKYOXLKDZ-UHFFFAOYSA-N	324.335	1.929	50	20	DDGD	
Cc1ccc(S(C)(=O)=O)cc1C(=O)NNc1ncc(F)cn1	760922544	JLFZQBIRHFYTDI-UHFFFAOYSA-N	324.337	1.085	50	20	DDGD	
OB(O)c1cccc(-c2noc(COC3CCCCC3)n2)c1	867057130	HAZRLICOGIBETO-UHFFFAOYSA-N	302.139	1.266	50	20	DDGD	
Cc1nc(CC(C)C)c(C(=O)NNC(=O)c2cn[nH]c2)s1	862472115	FTRRQEUUAKXCFO-UHFFFAOYSA-N	307.379	1.448	50	20	DDGD	
Cn1cc([C@@H]2C[C@H]2C(=O)NNCC(F)(F)C(F)(F)F)cn1	863102227	XRQXPXNSRSLBHU-JGVFFNPUSA-N	312.242	1.342	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CC[C@@H]2CC2(Cl)Cl)n[nH]1	869018247	IZVJOWLUXHIVHN-MRVPVSSYSA-N	319.192	1.382	50	20	DDGD	
Cc1nc([C@@H]2CCOC2)sc1C(=O)NNC(=O)CC1CC1	868589787	KSWFSWNLLCPHSB-SNVBAGLBSA-N	309.391	1.517	50	20	DDGD	
C[C@@H](NNC(=O)CCCNC(=O)OC(C)(C)C)C(F)(F)F	862305546	QBRRFYZYDCCQEO-MRVPVSSYSA-N	313.320	1.863	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2cc(C)sn2)c1	766342890	HVOKJFUIUIPONY-UHFFFAOYSA-N	321.358	1.544	50	20	DDGD	
CCOC(=O)[C@H]1CCCN1S(=O)(=O)CC(C)(C)CCl	867115492	RWFULQSBUCENIP-SNVBAGLBSA-N	311.831	1.609	50	20	DDGD	
Cc1nn(CC(=O)OC(C)C)c(C)c1C=NNC(=O)N(C)C	768364783	MVDMCXZEXCNKSK-UHFFFAOYSA-N	309.370	1.057	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H](Br)C(C)(C)C	767318897	BMJPZUIIVNCDCP-MRVPVSSYSA-N	324.219	1.163	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cccc2c1OCO2	764692895	DSURGTWRJVWZKM-UHFFFAOYSA-N	303.278	1.363	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1coc(C2CCOCC2)n1	768195706	AIIWZHJXSINMAR-UHFFFAOYSA-N	306.297	1.860	50	20	DDGD	
COc1cc(C)c(C(C)=NNC(=O)[C@@H]2CCC(=O)N2)cc1C	863152878	HCRYNCSREBHJDI-ZDUSSCGKSA-N	303.362	1.431	50	20	DDGD	
CS(=O)(=O)Cc1ccc(NC(=O)NNc2cnccn2)cc1	769985703	KRMACSUMPOCQKF-UHFFFAOYSA-N	321.362	1.170	50	20	DDGD	
CCNC(=O)CCCC(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	768331428	BDAOBERNHXQWEV-UHFFFAOYSA-N	324.337	1.353	50	20	DDGD	
CC(C)CC(=NNC(=O)C(=O)N1CCCC1)c1ccccn1	760253194	BNIXMZVDJQQJCP-UHFFFAOYSA-N	302.378	1.570	50	20	DDGD	
CCCCN(CC)C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1118764132	KXWLLHDVBNEKKS-ZWNOBZJWSA-N	319.243	1.925	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H]1CCCCN(C)C1=O	874269370	ROCLWOHCWCBMLP-LLVKDONJSA-N	322.317	1.767	50	20	DDGD	
COc1cc(Cl)ccc1NC(=O)C(=O)NNc1ccccn1	773479071	QOJPIBMLRLJJJS-UHFFFAOYSA-N	320.736	1.825	50	20	DDGD	
COCCOCC(=O)NN=C(C[C@H]1CCOC1)c1ccccc1	872402387	ZIVICAUBUMCUNA-CQSZACIVSA-N	320.389	1.597	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)CCC(C)(C)O)cc1	874953141	UEZPCGJTJFPZID-UHFFFAOYSA-N	324.450	1.621	50	20	DDGD	
CCS(=O)(=O)N[C@H](C)C(=O)NNc1cc(Cl)ccc1F	871271430	OUQUAFKIORMIMX-SSDOTTSWSA-N	323.777	1.250	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNc2cnccn2)c(F)c1	770026879	OLAPAVUTNZHWIU-UHFFFAOYSA-N	305.269	1.551	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1	776228504	QKFKDXKJEXMEQW-OLZOCXBDSA-N	304.306	1.402	50	20	DDGD	
CN1CCC(C=NNC(=O)COc2ccccc2C#N)CC1	872332484	NEJJDUYLGXAXOB-UHFFFAOYSA-N	300.362	1.381	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)C2CCOCC2)CCc2ccccc2C1	883064955	VFEJEYNKPGOKGS-SFHVURJKSA-N	316.401	1.756	50	20	DDGD	
O=S(=O)(CCCCl)N[C@H](CO)c1cc(F)ccc1F	881915544	ORCIIAKEYIDZNP-LLVKDONJSA-N	313.753	1.547	50	20	DDGD	
CN(C)S(=O)(=O)CCC(=O)NNc1ccc(F)cc1Cl	885136779	HMVDZHHIUBBWKD-UHFFFAOYSA-N	323.777	1.204	50	20	DDGD	
CS[C@H](C)CCC(=O)NNC(=O)Cc1cn2ccccc2n1	773315589	KKQZZVQJMPJFEO-LLVKDONJSA-N	320.418	1.556	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)CNC(=O)c2cccc(O)c2)c1	779019675	YZVXLSGFNXDIAA-UHFFFAOYSA-N	317.320	1.713	50	20	DDGD	
O=C(CNC(=O)N1CCCC1)NNc1ccc(F)cc1Cl	885138492	AAFHAIGXPITAJN-UHFFFAOYSA-N	314.748	1.728	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1cccc2c1N(C)C(=O)CO2	887273796	BDHXACPIDHESNY-NTMALXAHSA-N	301.302	1.424	50	20	DDGD	
COC(=O)[C@@H]1CSCCN1CCI	887077625	QBELGRMEUITIMQ-ZETCQYMHSA-N	315.176	1.012	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1nnc(O)c2ccccc12	781834396	XUENNZJWUJLKPL-UHFFFAOYSA-N	316.708	1.536	50	20	DDGD	
CO[C@H]1C[C@@H](NC(=O)NNc2ccc(C#N)cn2)C12CCC2	889228511	RZIQQPVHHUZKAA-NEPJUHHUSA-N	301.350	1.537	50	20	DDGD	
Cn1ncc(Cl)c1C=NNC(=O)COc1ccc(F)cc1	780196501	DOOZHINPKMNBDH-UHFFFAOYSA-N	310.716	1.742	50	20	DDGD	
CC(C)n1cc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)cn1	786683137	PMQFOOWFPJOWSA-UHFFFAOYSA-N	316.317	1.268	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc2c(nc1O)CCCCC2	887144568	RUDGDMYLIOZXRA-UHFFFAOYSA-N	315.373	1.621	50	20	DDGD	
Cc1ccccc1C[C@H](CO)NS(=O)(=O)CCCCCl	786133463	YFCMTEAHVJJQJR-CQSZACIVSA-N	319.854	1.837	50	20	DDGD	
NC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)c2cccc(Cl)c2)C1	786687919	PEHSZTMGAXSDDR-UWVGGRQHSA-N	323.780	1.393	50	20	DDGD	
O=C(NNc1ccc(Br)nc1)[C@H]1[C@@H]2CCC(=O)[C@@H]12	894768549	KODXUEQIAHCDJF-GGVZMXCHSA-N	310.151	1.512	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@H]1CCc2cc(C#N)ccc21	787429011	YPCQLNVSVAVGTC-ZDUSSCGKSA-N	300.362	1.922	50	20	DDGD	
CN(NC(=O)C(=O)Nc1ccc2c(c1)COC2)c1ccccc1	783433272	MECUPYQYMIXNRT-UHFFFAOYSA-N	311.341	1.823	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@@H]1CCCN1c1ncccn1	781357525	MOPNUBVFWNVCJV-NSHDSACASA-N	302.313	1.123	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H]2CCC[C@H](C(N)=O)C2)c1	787133634	HTOSDKIKQCHZQG-UWVGGRQHSA-N	309.341	1.569	50	20	DDGD	
CCc1cncc(C(=O)NNc2ccccc2S(C)(=O)=O)c1	789992247	XHFOWGWRBUIAKZ-UHFFFAOYSA-N	319.386	1.804	50	20	DDGD	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNc1ncncc1Cl	781825004	XWOUDOSFFOBLJA-SECBINFHSA-N	317.736	1.912	50	20	DDGD	
CN1CCCC[C@@H](CNC(=O)NNc2ncc(Cl)cn2)C1	897558725	MRFJUDWNVWSZRU-JTQLQIEISA-N	312.805	1.488	50	20	DDGD	
CCCNC(=O)NN=Cc1ccnn1-c1ccccc1OC	797401547	INVSYDZQGXVIQS-UHFFFAOYSA-N	301.350	1.924	50	20	DDGD	
N#Cc1ccc(NNC(=O)NCCOC2CCSCC2)nc1	899058744	FIQCBJZBUBNANM-UHFFFAOYSA-N	321.406	1.492	50	20	DDGD	
CC(C)OC(=O)CC[C@H](C)NC(=O)NNC(=O)c1ccccc1	792305101	UJJYFAZGUHAGTR-LBPRGKRZSA-N	321.377	1.751	50	20	DDGD	
Cc1cccnc1NNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1	791213604	LOLWCKRNMWKZMD-UHFFFAOYSA-N	304.310	1.373	50	20	DDGD	
CSSCCNC(=O)NCC(=O)NCc1ccccc1	790879005	OANMQWVXJVCBNM-UHFFFAOYSA-N	313.448	1.613	50	20	DDGD	
O=C(NNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1cccc(Cl)c1	794612802	GKCTZANGICXYPI-UHFFFAOYSA-N	309.669	1.046	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCC2(CC#N)CC2)c1	797566078	WCJWQJKLCABLQX-UHFFFAOYSA-N	315.377	1.390	50	20	DDGD	
C[S@@](=O)C1(CNC(=O)NNc2cc(F)c(F)cc2F)CC1	799716140	ZEUXCSZHTDFAGX-OAQYLSRUSA-N	321.324	1.641	50	20	DDGD	
CC(C)O[C@H](C=NNC(=O)CN1CCCC1=O)c1ccccc1	792941059	BXZSRFJGUABYBX-OAHLLOKOSA-N	317.389	1.877	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2	795003334	SJVRNYLGXPEOCF-NHCYSSNCSA-N	305.407	1.193	50	20	DDGD	
C#C[C@H](NC(=O)NNc1ccccc1S(C)(=O)=O)C(C)C	798555507	HYIYZOOBHYNZBA-NSHDSACASA-N	309.391	1.374	50	20	DDGD	
C[C@@H](CNC(=O)[C@@H](Br)C(C)(C)C)c1nncn1C	797757814	LLMZWQOGGPRGQY-DTWKUNHWSA-N	317.231	1.844	50	20	DDGD	
CN1C(=O)C(=NNC(=O)c2n[nH]c3c2CCCC3)c2ccccc21	1317741103	HXTVBAYVHDXRAR-UHFFFAOYSA-N	323.356	1.399	50	20	DDGD	
CN(C)[C@@H]1CCCC[C@@H]1NC(=O)NNc1ccc(Cl)nn1	1321729782	CJSRBSBDNMWUGT-VHSXEESVSA-N	312.805	1.629	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCCN2CCC[C@@H]2C1	1324824790	ZPFVGCDRJQRGTM-UVQBRAAOSA-N	311.385	1.996	50	20	DDGD	
Cc1sc(-n2cccc2)c(C(=O)NNC(=O)C(C)(C)O)c1C	1320938540	PDADMMBHCRCLSA-UHFFFAOYSA-N	321.402	1.688	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NNc2ncc(F)cn2)c(C)c1	1325785218	FIXAZWXNZHCSPY-UHFFFAOYSA-N	318.312	1.432	50	20	DDGD	
CC1=CCCN(C(=O)C(=O)NC[C@@]2(C)C[C@H]2Br)C1	1329559796	YFXIPBBVDZIEEC-ZWNOBZJWSA-N	315.211	1.455	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CCCOc1ccccc1F	1337637555	FYDKKRASWGXDEX-UHFFFAOYSA-N	313.398	1.888	50	20	DDGD	
COC(=O)C(=O)NN=Cc1c(C)nn(-c2ccc(F)cc2)c1C	1339879065	KJPNRGNDTRMDKP-UHFFFAOYSA-N	318.308	1.251	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNc2ccc(C(C)(C)C)nn2)CC1=O	1331347263	MNIAQLKEDYESDI-NSHDSACASA-N	319.409	1.476	50	20	DDGD	
Cn1cc(C(=O)OC[C@]2(C)C[C@H]2Br)n(C)c1=O	1346558115	ORBXZNZTMLSLAU-KCJUWKMLSA-N	303.156	1.054	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnc(NCC)c(Cl)c1	1345507174	MVABFWOUHLLKTJ-UHFFFAOYSA-N	313.814	1.462	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)C2CC3(C2)CS(=O)(=O)C3)c1	1519824835	DMGBGTHWXXNUMJ-UHFFFAOYSA-N	312.366	1.402	50	20	DDGD	
C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNc1ccc(Cl)c(F)c1	1528046476	NGWFPQYTYAXZBL-NOZJJQNGSA-N	312.776	1.311	50	20	DDGD	
Nc1cnnc(NNC(=O)/C=C/c2ccc(C(=O)O)o2)c1Cl	1601219086	VQEXVRFABUFFNZ-DUXPYHPUSA-N	323.696	1.160	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2cnc3nccnc3c2)cc1	1602128347	HRSDDRUHJIXMAB-UHFFFAOYSA-N	323.312	1.409	50	20	DDGD	
O=C1CCC[C@H](C(=O)NNc2ccc(C(=O)O)c(Cl)c2)N1	1602645378	DMUKAMGQBUBCTA-SNVBAGLBSA-N	311.725	1.150	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)c2ccoc2)ccc(F)c1C(=O)O	1607546172	BWOFTPTYJRNUTO-UHFFFAOYSA-N	321.264	1.892	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1cccc(C(=O)O)c1	1601553778	URCPGJBTZJOFEH-NSHDSACASA-N	307.306	1.107	50	20	DDGD	
CCCc1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)no1	1604244994	WJSGYOJCYRKYRG-UHFFFAOYSA-N	313.321	1.564	50	20	DDGD	
O=C(N[C@@H](Cc1ccncc1)C(=O)O)C1CCC(Cl)CC1	1601424336	XCCRYSFFIQSNIF-BPCQOVAHSA-N	310.781	1.991	50	20	DDGD	
Cc1ccoc1C=NNC(=O)[C@H]1CCCO[C@H]1c1nccn1C	1549309654	JDFXMHFFHBHOJJ-GXTWGEPZSA-N	316.361	1.940	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@H]1C(=O)NN=C1COCC1(C)C	1549313003	DLQISMSVBKIYLE-YPMHNXCESA-N	320.393	1.416	50	20	DDGD	
COCc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)cc1	1549317835	MUYQARHACRMBNK-HZPDHXFCSA-N	317.389	1.146	50	20	DDGD	
O=C(NN=C1C[C@H]2C[C@H](C(=O)O)[C@H]1C2)c1ccc(Cl)nc1	1610699337	TVZWSGYRPUBGGC-QNSHHTMESA-N	307.737	1.952	50	20	DDGD	
CCn1cc([C@H]2OCC[C@H]2C=NNC(=O)c2cn[nH]c2)cn1	1552672803	PWCHHQUAVFUDKP-GWCFXTLKSA-N	302.338	1.120	50	20	DDGD	
C#CC(=O)N1CCC2(CCCN(C(=O)[C@H](F)Cl)C2)CC1	1810913037	OENZXYQZGFCMFL-LBPRGKRZSA-N	300.761	1.385	50	20	DDGD	
N#CC1=CCN(C(=O)[C@H]2CCS(=O)(=O)c3ccccc32)CC1	1645778083	BUASUZVGRRUVQT-AWEZNQCLSA-N	316.382	1.630	50	20	DDGD	
CC[C@H](C)[C@H](N)C(=O)NNc1cc(Br)ncn1	1578231001	WTRUSZDOJDYBNY-RCOVLWMOSA-N	302.176	1.056	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2CCCCN2)cc1C	1574156705	OUJSSDOLRGSNLA-ZDUSSCGKSA-N	306.435	1.763	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2ccn(CCCN)n2)nn1	1575274725	BIVAZNTVQPLHMN-UHFFFAOYSA-N	317.397	1.076	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)OC	1847868054	QKEJSNAXVBOUBU-CYDGBPFRSA-N	316.829	1.631	50	20	DDGD	
O=C(NN=C1CCCCc2cc(-c3nn[nH]n3)ccc21)C1CC1	1593155198	FAZIFTJRGATANX-UHFFFAOYSA-N	310.361	1.823	50	20	DDGD	
CC[C@H](C)[C@H](NNC(=O)c1cccc2ncccc12)C(=O)O	1594919798	DOAIEIKVLUEPBM-HZMBPMFUSA-N	301.346	1.969	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](CF)C(=O)O)cc1	1597081460	KNFRWKCTWUVKQZ-YLBKJLTLSA-N	306.293	1.531	50	20	DDGD	
CCn1ccc(CNC(=O)NNc2cccc(C(=O)O)c2F)n1	1597904166	BOZRVNFOQSZNKE-UHFFFAOYSA-N	321.312	1.567	50	20	DDGD	
C[C@@H]1COCC[C@H]1NC(=O)NNc1ccc(F)c(C(=O)O)c1	1594604489	QDJYAHGIIFJCPQ-PRHODGIISA-N	311.313	1.575	50	20	DDGD	
C[C@@H]1CNC[C@H]1CNC(=O)NNc1ccc(F)c(C(=O)O)c1	1599872791	HKJGTRRLBGTZJQ-BDAKNGLRSA-N	310.329	1.006	50	20	DDGD	
COc1cc(O)ncc1C(=O)NNc1ccccc1C(=O)O	1599349140	KXNJYJOTGCKDDZ-UHFFFAOYSA-N	303.274	1.251	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1sccc1-c1nn[nH]n1	1593166587	KUZSEPLRDWFDRW-UHFFFAOYSA-N	322.741	1.129	50	20	DDGD	
C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1590223202	ORISOTNFZJHKOG-XIDUGBJDSA-N	312.377	1.992	50	20	DDGD	
COc1cc(C(=O)O)ccc1C=NNC(=O)NCC(F)(F)F	1776036388	GUJQAKMRODTOBG-UHFFFAOYSA-N	319.239	1.589	50	20	DDGD	
C[C@H]1CC(=NNC(=O)Nc2ccc(C(=O)O)cc2)c2ncnn21	1776045373	BWWLJKXPHSGTEM-QMMMGPOBSA-N	314.305	1.467	50	20	DDGD	
O=C(O)C1CC(=NNC(=O)[C@@H]2OCC[C@@H]2c2ccccc2)C1	1776109232	ACYUTTWXSNMCDK-HIDCPEKUSA-N	302.330	1.526	50	20	DDGD	
O=C(Cc1ccc2c(c1)OCCO2)NNC(=O)c1ccccc1	17170405	VAIDWMWKVBAAEZ-UHFFFAOYSA-N	312.325	1.462	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)nc(C)n1	162288773	ICNGTEBGQVABRT-UHFFFAOYSA-N	312.333	1.030	50	20	DDGD	
CCNc1nc(C(=O)NNC(=O)c2ccccc2OC)cs1	151067038	CNOPHKWEMGVQOQ-UHFFFAOYSA-N	320.374	1.658	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccccn2)cc1C	151731569	QGOFQIKMUCPYKA-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(C)nc1Br	151374872	CMHDQVOXPDMNIZ-UHFFFAOYSA-N	303.116	1.545	50	20	DDGD	
CC(C)(C(=O)NNc1ncnc2nc[nH]c12)c1ccc(F)cc1	152716285	NYCQQCMQJACKOP-UHFFFAOYSA-N	314.324	1.913	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2ccc3c(c2)CCCC3)[nH]n1	153056767	DRPVDTHILZTXGU-UHFFFAOYSA-N	312.373	1.601	50	20	DDGD	
O=C(NC[C@@H](O)c1ccsc1)NNC(=O)c1ccccc1	153502089	YTMCYYPIGNOJBW-GFCCVEGCSA-N	305.359	1.426	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ccc(C#N)cc1)N1CCCC1=O	155602281	BKIQFZXTNQGTNT-HNNXBMFYSA-N	300.362	1.648	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@@H]2CCN(CC(C)C)C2)nc1	157553233	UCTOAURUTMEYCF-ZDUSSCGKSA-N	321.425	1.694	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)nc1	157385049	QWZLHCJRBNQWDQ-DRZSPHRISA-N	306.366	1.530	50	20	DDGD	
C[C@H](O)[C@@H]1CCN(S(=O)(=O)c2ccc(CCCl)cc2)C1	168257499	MGTXJQFTNWHMDG-WCQYABFASA-N	317.838	1.859	50	20	DDGD	
O=C(NNC(=O)c1cnn(-c2ccccc2)c1)c1cncc(O)c1	113434536	JDKYZVKYEGLZJO-UHFFFAOYSA-N	323.312	1.048	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCc1ccsc1	56622165	FWGXJDIIJVXSFV-UHFFFAOYSA-N	319.386	1.830	50	20	DDGD	
O=C(CC[C@@H]1CCCCO1)NNC(=O)CNc1ccccc1	111547383	GOLKTRYNFKSZNA-AWEZNQCLSA-N	305.378	1.595	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CSc1ccc(F)cc1	109859918	LYFDBQRICMCFHQ-UHFFFAOYSA-N	308.338	1.411	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)c1cccc2ncccc12)N(C)C	106921679	KNCVIQLCSFQHMS-HNNXBMFYSA-N	314.389	1.582	50	20	DDGD	
Cc1cccc(C)c1NCC(=O)NNC(=O)NCc1ccco1	173260591	OLWHCGVGINKEAV-UHFFFAOYSA-N	316.361	1.839	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc2c(c1)CCCC2	68461465	XYKFEWGVQKGISS-UHFFFAOYSA-N	305.378	1.546	50	20	DDGD	
CCOC(=O)NNC(=O)C[C@@H]1c2ccccc2CCN1C(C)=O	69903768	INYOGQYRCZDQKG-CQSZACIVSA-N	319.361	1.300	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=S)NC2CCCCC2)c1	28632927	PJKCFCKDGYAJIB-UHFFFAOYSA-N	302.403	2.000	50	20	DDGD	
O=Cc1ccc(C(=O)NNC(=O)Cn2ccc3ccccc32)[nH]1	176265290	VMLSLMAHPPJOOO-UHFFFAOYSA-N	310.313	1.243	50	20	DDGD	
CC(C)CNC(=O)NNC(=O)c1cc(Br)c[nH]1	49163571	OPKKSIXABSQHCN-UHFFFAOYSA-N	303.160	1.377	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)NCCCCC#N)c1	181665255	LFCUEKWYAAGZGT-UHFFFAOYSA-N	310.379	1.410	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCC2CCCCCCC2)cn1	117961757	DEKODXDCIKHAPB-UHFFFAOYSA-N	307.398	1.725	50	20	DDGD	
CC[C@@H](OC)C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	68176342	KMDCNMWONHVDKY-CHWSQXEVSA-N	308.378	1.643	50	20	DDGD	
O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)NC1CCCC1	65921056	GSMLSIDDGXKFPI-UHFFFAOYSA-N	322.321	1.247	50	20	DDGD	
COc1ccc(CCNC(=O)NNc2cccnn2)cc1F	172497575	JULPBQWCFUXDMW-UHFFFAOYSA-N	305.313	1.493	50	20	DDGD	
CC(C)N(C)CC(=O)NNc1nnc(-c2ccccn2)s1	188185951	JVFBNWUBXALOKL-UHFFFAOYSA-N	306.395	1.383	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)ncn1	122834237	GCDHYIMYKAMMTL-SNVBAGLBSA-N	318.308	1.153	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@@H](CO)Cc1ccccc1	125846679	BVGSVKPOZSEBBJ-CYBMUJFWSA-N	305.827	1.528	50	20	DDGD	
N#CC1(C(=O)NNC(=O)CCOc2ccccc2)CCCC1	129222036	SKRUBDHTBLMQEI-UHFFFAOYSA-N	301.346	1.687	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2Cc3ccccc3C(=O)O2)nc(C)n1	128729987	UOVDRLMENMBFNP-CYBMUJFWSA-N	312.329	1.318	50	20	DDGD	
CC[C@H](C)[C@H](C)NCC(=O)NNC(=O)Cc1nc(C)cs1	183040579	XJZOWPSQEYYOFZ-ONGXEEELSA-N	312.439	1.166	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2)nn1	189657993	VLBODPUWKLNPPS-UHFFFAOYSA-N	304.310	1.698	50	20	DDGD	
CCC(CC)N1C[C@H](C(=O)NNc2ccnc(F)c2)CC1=O	182536644	AZJYPCBMBPSEMQ-SNVBAGLBSA-N	308.357	1.701	50	20	DDGD	
CN(C)c1cc(C(=O)NNc2cccnn2)c2ccccc2n1	184593830	MRCMRTJTEOULLP-UHFFFAOYSA-N	308.345	1.848	50	20	DDGD	
Cc1cc2c(cc1C)O[C@H](C(=O)NNC(=O)c1cccn1C)C2	79327729	HCTPVWFHQKRAJS-HNNXBMFYSA-N	313.357	1.407	50	20	DDGD	
O=C(Cc1cccc(F)c1)NCC(=O)NNc1ccccn1	181171354	RBXXQMZUXMKTKY-UHFFFAOYSA-N	302.309	1.023	50	20	DDGD	
O=C(CCOC1CCOCC1)NNC(=O)CCc1ccccc1	84539681	PMGFWNMCXFXYDJ-UHFFFAOYSA-N	320.389	1.352	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)NC(C1CC1)C1CC1	45860857	JQJMMFNOMZDFJR-UHFFFAOYSA-N	321.352	1.724	50	20	DDGD	
O=C(CC1OCCCO1)NNc1ccc([N+](=O)[O-])cc1Cl	193640649	RUUPEABDXGMGOE-UHFFFAOYSA-N	315.713	1.844	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H]1CCCCC(=O)N1)c1ccccc1	194088988	OGBUOOFCKMBPSK-UONOGXRCSA-N	317.389	1.386	50	20	DDGD	
COc1ccc(C)nc1NC(=O)NNc1nc2ccccn2n1	190342142	SVXXYOLPVBRMLM-UHFFFAOYSA-N	313.321	1.590	50	20	DDGD	
C[C@H](Oc1cccc(F)c1)C(=O)NNC(=O)Cc1ccncc1	81026545	BECVJHAZQJWNJS-NSHDSACASA-N	317.320	1.378	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc(C)c(C(C)=O)c2)n1	193790821	CYNXLDGNMIZRMZ-UHFFFAOYSA-N	300.318	1.753	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)c2ccc(C#N)cc2)c1C1CC1	142334815	QSIGWZIOOMPEDI-UHFFFAOYSA-N	309.329	1.244	50	20	DDGD	
COC[C@@H](NC(=O)NNc1ncccn1)c1ccc(F)c(F)c1	91258071	AZTJYIKHVWYUKP-GFCCVEGCSA-N	323.303	1.769	50	20	DDGD	
CCn1cnnc1-c1ccccc1NC(=O)NNc1cnccn1	92761487	PPZMQWIRKAUNCW-UHFFFAOYSA-N	324.348	1.904	50	20	DDGD	
CC(C)N1C(=O)C(=NNC(=O)c2ccncc2)c2ccccc21	254495468	WREJUFLLTIUWMR-UHFFFAOYSA-N	308.341	1.971	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)Cn2nc(C)cc2C)c1C	254606515	ADSWDTVZBYNMJU-UHFFFAOYSA-N	302.382	1.483	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NC1CCN(Cc2ccncc2)CC1	255010385	FKLLIULHFVZKOS-QINSGFPZSA-N	314.389	1.606	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	269463834	ADZHARFZTQMNSB-GXDHUFHOSA-N	317.389	1.794	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCCNC(=O)OC)c1ccccc1	264696610	OYYRVCCDDWITRB-CYBMUJFWSA-N	321.377	1.464	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCCn1cccc1)c1ccccc1	267765471	KBBIZIUXPGGLAX-UHFFFAOYSA-N	314.389	1.796	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCC2(CO)COC2)cc1	269609086	PABVALPRULFRBH-VGOFMYFVSA-N	316.357	1.117	50	20	DDGD	
C[C@@H]1[C@@H](N2CCCC2)CCN1CCI	367889675	DPQQPLVNHKBIIU-MNOVXSKESA-N	308.207	1.980	50	20	DDGD	
CNC(=O)NNC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F	263879211	PIUDOOGHRRCUDS-SSDOTTSWSA-N	305.256	1.433	50	20	DDGD	
CCc1nc(COc2ccc(C(=O)NNC(=O)OC)cc2)no1	274279256	JJRDMFQCVXWKKG-UHFFFAOYSA-N	320.305	1.212	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)n1	279757390	DSBUZZXRKJZJDX-UPJWGTAASA-N	304.394	1.412	50	20	DDGD	
COCCOc1ccccc1C(=O)NNc1nccnc1OC	274036091	DTGNFFQWZSMDDO-UHFFFAOYSA-N	318.333	1.267	50	20	DDGD	
Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NNC(=O)C1CC1	270578907	FFESHTVLQJZFEO-UHFFFAOYSA-N	318.299	1.162	50	20	DDGD	
Cn1cc2c(n1)CCC[C@H]2C(=O)NNC(=O)c1ccc(C#N)cc1	366953368	OAOHEHSTBYBCAV-CYBMUJFWSA-N	323.356	1.173	50	20	DDGD	
O=C1NCc2ccc(NS(=O)(=O)CCCCCl)cc21	274910092	KLIHYOXVYYYLQU-UHFFFAOYSA-N	302.783	1.691	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1C(=O)NNC(=O)CC1CCCC1	277770554	LKYAMOQGDZNFHP-UHFFFAOYSA-N	321.333	1.945	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(NCC2CC2)nc1	279100647	AOVHTMDLHJMNDI-UHFFFAOYSA-N	314.349	1.459	50	20	DDGD	
N#CC1=CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1	272680192	NHQUYQCJGJVJDS-UHFFFAOYSA-N	315.285	1.662	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)CSc1ccccc1O	270708117	NQVJEEPHWPEFMH-JTQLQIEISA-N	314.432	1.773	50	20	DDGD	
COc1cc(CNS(=O)(=O)CBr)ccc1C	272819287	OUCLWOKFSZKFOL-UHFFFAOYSA-N	308.197	1.775	50	20	DDGD	
C[C@H](C(=O)NNc1ncccn1)[C@@H](C)NC(=O)OC(C)(C)C	277107919	MUTGCIDSEBZUMC-VHSXEESVSA-N	309.370	1.469	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCN(C)CC(F)(F)F	276604732	CWGQXCNCKJNXEF-UHFFFAOYSA-N	305.304	1.510	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1C(=O)NNC(=O)COc1ccc(C)cc1	278748633	JHSSICQQVSZIFL-GDBMZVCRSA-N	318.373	1.502	50	20	DDGD	
CCc1csc(CC(=O)NNc2ccc(C(=O)OC)cn2)n1	283066579	CQKPVRMJUHTHCY-UHFFFAOYSA-N	320.374	1.573	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cscc1Br	285499594	APKRNAUDFDWJOB-UHFFFAOYSA-N	306.185	1.817	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ccc3ccccc3n2)CCC1	281262648	QSXZUBPPGSSMAW-UHFFFAOYSA-N	319.386	1.645	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)[C@@H]1C[C@@]12CCOC2	372806390	UVSTZTJPBSDKHK-QFBILLFUSA-N	324.380	1.956	50	20	DDGD	
COCCN(C)NC(=O)/C=C/c1c(Cl)nc2sccn12	288417473	GXVCQGKOXXGXON-ONEGZZNKSA-N	314.798	1.672	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Cn1ccc2ccccc2c1=O	280068817	HMIMKWWTLZHJKY-UHFFFAOYSA-N	301.346	1.195	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](CO)CC2CCC2)s1	280224582	JXEWSQAPJVMJSK-LLVKDONJSA-N	311.407	1.552	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	280941646	IVYZRYYCUGRYKL-BONVTDFDSA-N	312.341	1.556	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNC(=O)c1ccc(Cl)cc1OC	280762749	MBCZFBBAZDOBDN-AWEZNQCLSA-N	312.753	1.437	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21	294228363	RHXVGQDAQBSRLM-UHFFFAOYSA-N	316.317	1.497	50	20	DDGD	
COc1cccnc1CC(=O)NNC(=O)Cc1ccccc1C	807078984	ATCJJSXBSPWQRH-UHFFFAOYSA-N	313.357	1.331	50	20	DDGD	
Cn1cnc2c(C(=O)NN=c3cc[nH]cc3Cl)ccnc21	807046154	RKTCRYFFHDZLPC-UHFFFAOYSA-N	302.725	1.196	50	20	DDGD	
CCOc1ccccc1NC(=O)C(=O)NNc1cccc(F)n1	807392605	SMCHUHKTFYSQQI-UHFFFAOYSA-N	318.308	1.701	50	20	DDGD	
C#Cc1cncc(C(=O)NNc2cccc(S(C)(=O)=O)c2)c1	807195910	BGSLUEXXWAMHJM-UHFFFAOYSA-N	315.354	1.223	50	20	DDGD	
CN1CC[C@H](C(=O)NNC(=O)Nc2ccc(Cl)cc2)CC1=O	802019235	YOZRMJKNIWDWRJ-VIFPVBQESA-N	324.768	1.361	50	20	DDGD	
O=C(NNC(=O)C1(c2ccc(F)cc2)CCOCC1)C1CC1	299122965	AKBHFQWOFCJIPW-UHFFFAOYSA-N	306.337	1.431	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)CC(C)(C)C#N)cc1	291201511	MBAPPOROTFCTDE-UHFFFAOYSA-N	324.406	1.320	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccc(F)cc1)C(C1CC1)C1CC1	298250490	UAVUGYQRDJSMBI-UHFFFAOYSA-N	319.380	1.707	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)C(=O)NNC(=O)N=c1cc[nH]cc1	802031244	FYRLWGIJBNHABH-MRVPVSSYSA-N	303.322	1.065	50	20	DDGD	
CCCSCC(=O)OCC(=O)NNC(=O)c1ccccc1	801324068	IOJLLNLXTOILAH-UHFFFAOYSA-N	310.375	1.134	50	20	DDGD	
Cn1cc(CCC(=O)NNC(=O)Nc2ccc(Cl)cc2)cn1	802013993	HAMZZQNCLJYNRT-UHFFFAOYSA-N	321.768	1.859	50	20	DDGD	
Cc1ccc(/C=C(\C#N)C(=O)OCC(=O)c2cnnn2C)cc1	803234329	IBXLQNVPRHSEOD-NTUHNPAUSA-N	310.313	1.457	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CCC(C)(C)[N+](=O)[O-]	294781038	ZWACGFHOIPMOEV-UHFFFAOYSA-N	309.322	1.292	50	20	DDGD	
CO[C@@H]1CN(C(=O)c2c(C)nn(CCCl)c2C)CCO1	807924183	PCULPZAQKWGCQA-NSHDSACASA-N	301.774	1.184	50	20	DDGD	
CC[S@@](=O)CC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	294993291	ZEPMPYOLPVSUCX-LJQANCHMSA-N	305.743	1.460	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccccc1OC1CC1	806817527	ZNWLBXPTNIKYMW-UHFFFAOYSA-N	300.318	1.334	50	20	DDGD	
CC(=NNC(=O)c1cc2ccccc2cc1O)c1cnnn1C	814694269	CJMWGGLJDOVGMH-UHFFFAOYSA-N	309.329	1.828	50	20	DDGD	
Cn1cc(-c2cccc(C(=O)NNc3ncncc3F)c2)cn1	817077695	LDOQLMUZQJIHPY-UHFFFAOYSA-N	312.308	1.773	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ncc(C#N)cc2C)nc1	815878868	WWUFQHRTTLKIQN-UHFFFAOYSA-N	311.301	1.200	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@H](C)n2cccn2)c(F)c1	819559631	NFGAFWQHLOEZGG-JTQLQIEISA-N	320.324	1.903	50	20	DDGD	
CCc1nnc(CNC(=O)NNC(=O)c2ccccc2F)s1	811911246	LKAXJOCSYPHUCN-UHFFFAOYSA-N	323.353	1.384	50	20	DDGD	
COc1cccc(C=NNC(=O)c2cnccn2)c1OC(F)F	818286662	ZNOJETKXCPHMMB-UHFFFAOYSA-N	322.271	1.851	50	20	DDGD	
CC(=NNC(=O)Cn1nc(C)cc1C)c1cc(F)c(N)c(F)c1	814752863	HPQXEILISXYQOU-UHFFFAOYSA-N	321.331	1.901	50	20	DDGD	
COC(=O)[C@H]1C[C@H]2CC(=NNC(=O)c3sc(N)nc3C)[C@H]1C2	817323230	UWZYNSWTQPIJKT-CIUDSAMLSA-N	322.390	1.339	50	20	DDGD	
CN(NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)C1CC1	819643769	NSGADMCYKYBQBU-ZDUSSCGKSA-N	319.380	1.803	50	20	DDGD	
CO[C@@](C)(C(=O)NNc1ccc2c(=O)[nH]ccc2c1)C1CC1	812564202	PAQJMUAVJKYQGC-MRXNPFEDSA-N	301.346	1.786	50	20	DDGD	
CN(NC(=O)[C@H]1Cc2cc(Br)ccc2O1)C1CC1	819652602	XCHDXLSHZZUURE-GFCCVEGCSA-N	311.179	1.878	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@]2(C)CC2(F)F)c1	817512437	CKWVZEFBTNCPSB-AWEZNQCLSA-N	312.316	1.875	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@](C)(O)C2CCC2)cc1	813576306	OYUBHVDAQXTXIP-HNNXBMFYSA-N	307.350	1.399	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CCc1nc(-c2nc[nH]n2)no1	816628573	BCPNEFOLNPEUOA-UHFFFAOYSA-N	319.152	1.049	50	20	DDGD	
C[C@@H]1Oc2ccccc2[C@H]1NC(=O)NNc1ncncc1F	814335007	DXVKDSOQELRXMG-UFBFGSQYSA-N	303.297	1.764	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2(C(C)C)COC2)c(F)c1	822244237	XCBQDSJMMMGWMR-UHFFFAOYSA-N	310.325	1.728	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(Br)cc1C#N	823888922	ANLZQTHHPMEAJW-UHFFFAOYSA-N	312.167	1.280	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@H]1CC12CCOCC2	822727594	DNFUOWLOXQXWEA-SNVBAGLBSA-N	322.336	1.872	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H](C)c1cccc(-c2nn[nH]n2)c1	821314754	NFCCXYANLDVVBB-YWEFTTLKSA-N	312.333	1.488	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cnc(S)n1-c1ccc(F)cc1	496074356	CFLFRONHVUFCSS-UHFFFAOYSA-N	324.337	1.643	50	20	DDGD	
CC(C)[C@H](O)C(C)(C)CNC(=O)/C(C#N)=C/c1cnn(C)c1	491109199	ZMOBMPGHMDGRFY-BLXFFLACSA-N	304.394	1.486	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cccc(C(=O)O)c2)n1	820764002	RTIGGLPUDOKHHT-UHFFFAOYSA-N	302.290	1.249	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc2c(OC(F)F)cccc2[nH]1	823976732	ICSXTUWPDMHUHT-QMMMGPOBSA-N	313.304	1.727	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)C1CCC1	496800037	TYELZDVPKSFTTO-SNVBAGLBSA-N	313.398	1.485	50	20	DDGD	
Cc1ccccc1CC(=O)NNc1cccc(-c2nn[nH]n2)c1	826306846	NHYSRAMDCHFXMQ-UHFFFAOYSA-N	308.345	1.861	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H](c2ccccc2)C(F)(F)F)cc1	585036365	IJCXICUTILQFQU-HNNXBMFYSA-N	323.123	1.802	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1	496101881	IZABEGLVFDRFDA-AOOOYVTPSA-N	314.386	1.030	50	20	DDGD	
O=C(NNc1ccnc(F)c1)Nc1ccc(-c2nn[nH]n2)cc1	826449257	JHGBDXANUFRPOO-UHFFFAOYSA-N	314.284	1.549	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)CC1CC(F)(F)C1	825776052	AWXHZOUWRPAQPK-UHFFFAOYSA-N	300.280	1.951	50	20	DDGD	
O=C(/C=C/[C@@H]1CCOC1)NNC(=O)Nc1ccc2c(c1)OCO2	493724279	OPEXUCMWGXLINS-YEQXMLPJSA-N	319.317	1.161	50	20	DDGD	
C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)NNc1cccnn1	494948911	CPLUHVHBQFOTAQ-SNVBAGLBSA-N	324.385	1.406	50	20	DDGD	
CN(NC(=O)c1sccc1-n1ccnn1)C(=O)OC(C)(C)C	497129219	JRQINAZCSSEMBR-UHFFFAOYSA-N	323.378	1.841	50	20	DDGD	
CCN1C[C@@H](C(=O)NNc2nc3c(C)cccc3s2)CC1=O	828367504	QYCSMGCGLSJTAG-JTQLQIEISA-N	318.402	1.916	50	20	DDGD	
Cn1cc(-c2ccc(C(=O)NNC(=O)C3CCCC3)o2)cn1	824921439	LPJLSRPCOLJVMR-UHFFFAOYSA-N	302.334	1.631	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)cc1	822202768	OPXNDRBEOUUTJM-IPYPFGDCSA-N	302.374	1.957	50	20	DDGD	
CCNC(=O)[C@@H](NC(=O)[C@]1(C)C[C@H]1Br)C(C)C	908403014	KYCVHPZMXDCTGZ-VDDIYKPWSA-N	305.216	1.437	50	20	DDGD	
Cc1cccc(NNC(=O)c2cccn(CC(C)C)c2=O)n1	827037203	JZZOKSZWROHRHO-UHFFFAOYSA-N	300.362	1.965	50	20	DDGD	
O=C(C=C1CCSCC1)NNc1ccc(-c2nn[nH]n2)cc1	826400103	PDSGFVBCEIYIPM-UHFFFAOYSA-N	316.390	1.763	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1CCOc2c(CC)cccc21	731281995	FIYFXQVSDVZVAW-ZDUSSCGKSA-N	321.377	1.440	50	20	DDGD	
CC[C@H](CC(C)C)C(=O)NNc1nc(O)c2cnn(C)c2n1	825827663	XVSFYLBXZIKARY-SECBINFHSA-N	306.370	1.584	50	20	DDGD	
CC(C)n1cnnc1CNC(=O)[C@]1(C)C[C@@H]1Br	906576819	GYPJSNQIOHCXOJ-GZMMTYOYSA-N	301.188	1.649	50	20	DDGD	
CC[C@@H]1CCCN1C(=O)NNC(=O)COCc1ccccc1	738495569	FPXGTVXIYGQTMQ-CQSZACIVSA-N	305.378	1.818	50	20	DDGD	
Cc1nnc(NNC(=O)c2ncoc2-c2ccccc2)nc1O	732575112	RBPUKCXQOYARQK-UHFFFAOYSA-N	312.289	1.298	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1	585018142	QUUHDUWMUMZPNW-ZYHUDNBSSA-N	319.107	1.716	50	20	DDGD	
O=C(c1c[nH]cc1-c1ccc(F)cc1)N1CC[C@H](B(O)O)C1	585071617	XBLLOXUPEHVRGS-NSHDSACASA-N	302.114	1.510	50	20	DDGD	
Cn1c(Cl)nc(Cl)c1C=NNC(=O)[C@@H]1CCCCO1	834984335	CAZJQRNGGAQYBT-QMMMGPOBSA-N	305.165	1.746	50	20	DDGD	
CN1C(=O)CC[C@@H]1CC(=O)NNc1ncnc2ccsc12	830430453	GVBAURAVOHQMAD-MRVPVSSYSA-N	305.363	1.145	50	20	DDGD	
CCC[C@@H](Cc1ccccc1)NC(=O)c1ccc(B(O)O)cc1	584939342	JJDQAYAWSPYQCF-KRWDZBQOSA-N	311.190	1.508	50	20	DDGD	
COc1cc(F)cc(C[C@H](C)NCc2ccc(B(O)O)cc2)c1	585044689	QIWWCORZHDBDCO-LBPRGKRZSA-N	317.169	1.235	50	20	DDGD	
CCn1cc(C=NNC(=O)COc2ccccc2OC)cn1	732528076	QQZKWCBOECRMGS-UHFFFAOYSA-N	302.334	1.441	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)c1cc([N+](=O)[O-])c[nH]1	732113165	MTCSAYPNKLRCCO-UHFFFAOYSA-N	314.261	1.730	50	20	DDGD	
CCNC(=O)NNC(=O)CCC(C)(C)NC(=O)OC(C)(C)C	737816511	MZXFZNPVTPPWPA-UHFFFAOYSA-N	316.402	1.420	50	20	DDGD	
COc1cccc(CNC(=O)NNc2cccc(C(=O)O)c2)n1	833735275	IRFQCBQIXPTDDQ-UHFFFAOYSA-N	316.317	1.615	50	20	DDGD	
CC(=O)N(C)C1CCN(C(=O)[C@@]2(C)C[C@@H]2Br)CC1	906416875	HYWILZHXSOUEGL-AAEUAGOBSA-N	317.227	1.629	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@@H]1CCCN(C)C1	731124326	VIWCRWAOJDHIHI-ZDUSSCGKSA-N	304.394	1.281	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1nccc2sccc12)C(C)C	734249337	UJLXQRPVMCFRHA-LBPRGKRZSA-N	306.391	1.900	50	20	DDGD	
CCCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)NC1CCCC1	730214630	LXBZHFJKRBWEAR-CYBMUJFWSA-N	324.425	1.441	50	20	DDGD	
CCO[C@@H]1C[C@H](NCc2cccc(B(O)O)c2)C12CCCC2	585027519	VKOKHGBRRVGBTN-JKSUJKDBSA-N	303.211	1.194	50	20	DDGD	
CCOc1cc2c(cc1NCc1ccc(B(O)O)o1)O[C@@H](C)C2	585033928	KJBCPLZSZOTXTB-JTQLQIEISA-N	317.150	1.294	50	20	DDGD	
C[C@@]1(C(=O)N2CCC3(CC2)CNC(=O)C3)C[C@H]1Br	906869658	IVPHVCNEBMLXIQ-BXKDBHETSA-N	315.211	1.289	50	20	DDGD	
CCCOc1ccc(CN2CC[C@H](B(O)O)C2)cc1OCC	585076752	OBUPTIHEGBPHEG-AWEZNQCLSA-N	307.199	1.923	50	20	DDGD	
C[C@@]1(C(=O)NNc2cc(Cl)nc(N)n2)C[C@@H]1Br	907305822	FUEOTHAYWMYXDC-AJAUBTJJSA-N	320.578	1.329	50	20	DDGD	
Cn1cc(/C=C/C(=O)NNC(=O)C(C)(C)c2ccccc2)cn1	731173082	IQINOAJKVCXQMF-MDZDMXLPSA-N	312.373	1.559	50	20	DDGD	
CC[C@](C)(C=NNC(=O)c1cccc(S(C)(=O)=O)c1)OC	834940417	FONVYNLJQBFBLC-CQSZACIVSA-N	312.391	1.621	50	20	DDGD	
O=C(Cc1ccsc1)NNC(=O)c1cccc(C(=O)O)c1	739348495	ACYKJVSNVWNMOG-UHFFFAOYSA-N	304.327	1.450	50	20	DDGD	
COC[C@@](C)(O)C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	836822685	MCYOBJLNFRUVMS-LLVKDONJSA-N	303.702	1.089	50	20	DDGD	
CCC[C@@H](NCc1cccc(B(O)O)c1)[C@H](O)c1ccccc1	585039009	NIYROHQSCDQFON-QZTJIDSGSA-N	313.206	1.358	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)C1=COCC1	734119916	KCMZABBWYJDLOP-UHFFFAOYSA-N	314.345	1.050	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@]2(C)CCCOC2)cc1F	837058663	NSXPQFQCRSGMHR-HNNXBMFYSA-N	310.325	1.872	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)N(C)C	730272802	QUFKFQCOTFKRQR-URZJAHPPSA-N	321.465	1.936	50	20	DDGD	
COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2OC)nn1	737529129	BDEFAYRXGVEQRC-UHFFFAOYSA-N	305.246	1.621	50	20	DDGD	
COC(=O)C[C@H](C)SCC(=O)NNC(=O)c1ccc(C)cc1	734368377	PPWQQKOXJSQHPK-NSHDSACASA-N	324.402	1.441	50	20	DDGD	
Cc1cccc(C=NNC(=O)[C@@H](C)CN2CCOCC2)c1C	731151016	KRYVIKSPCFBYDR-AWEZNQCLSA-N	303.406	1.722	50	20	DDGD	
O=C1CCCc2cc(C(=O)NNC(=O)c3ccc[nH]3)ccc2N1	915060939	ISRKHKZHLDFUME-UHFFFAOYSA-N	312.329	1.364	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CC(F)(F)F)cnn1C(C)(C)C	918366938	GOTOWAYNYZRXFZ-UHFFFAOYSA-N	306.288	1.660	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=Cc2ccc(O)cc2O)c1	916314649	OKGIKAJWLCISOW-UHFFFAOYSA-N	316.313	1.879	50	20	DDGD	
CC[C@@](C)(CNC(=O)NNc1ccc(-n2cccn2)nn1)OC	838661528	NPJGRVBNKIGJJD-AWEZNQCLSA-N	319.369	1.104	50	20	DDGD	
O=C(NN=C1CCCc2cc(F)ccc21)[C@H]1CCS(=O)(=O)C1	747629217	FZMNCBMNVLOZFO-NSHDSACASA-N	324.377	1.417	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2ccncc2)c(Cl)c1	747324464	FPHXIXKFZPHDIH-UHFFFAOYSA-N	319.748	1.747	50	20	DDGD	
CSc1c(F)cccc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843656397	PGWQYFXVZWZUGX-DTWKUNHWSA-N	312.366	1.734	50	20	DDGD	
COc1ncccc1NC(=O)NNC(=O)c1ccc(C)cc1O	918542465	YIGFKUZHXHLOIN-UHFFFAOYSA-N	316.317	1.571	50	20	DDGD	
CC(C)(C)C(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1	919222667	SEDOHRKMAJBWIK-UHFFFAOYSA-N	312.753	1.690	50	20	DDGD	
COc1ccnc(NNC(=O)c2cnn(-c3ccccc3)c2)n1	914762890	ZDUKMSSWKDDWLC-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
C[C@@H]1OC(=O)N[C@H]1C(=O)NNc1ccc(OC(F)(F)F)cc1	841408322	JSKZEGKCTMTKNX-IMTBSYHQSA-N	319.239	1.525	50	20	DDGD	
COCC1CCC(NC(=O)NNC(=O)c2ccccc2O)CC1	840444032	SCJIYUSRSLJTON-UHFFFAOYSA-N	321.377	1.541	50	20	DDGD	
CCCN(C)CC(=O)NNC(=O)c1cc(Cl)ccc1OC	746172778	HFOLQWXGIJKQGK-UHFFFAOYSA-N	313.785	1.451	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2nc(S)oc2c1	843980095	RHGLDVJSIKWVDL-IONNQARKSA-N	321.358	1.303	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNc1ccc(S(C)(=O)=O)cc1	748148472	SSHUIEQCCDGGSO-ZDUSSCGKSA-N	311.407	1.018	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cnn2cccnc12	746700129	SCRDAAVHZCYSFM-UHFFFAOYSA-N	307.235	1.904	50	20	DDGD	
CC(=O)N1CCC(NC(=O)NNc2ccc(F)c(F)c2)CC1	913929979	JYXBTGNELLWIDU-UHFFFAOYSA-N	312.320	1.602	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1c[nH]c(C(F)(F)F)c1	843970352	DXJSEQUYQMTRFS-SVRRBLITSA-N	305.256	1.220	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(/C=C\C(=O)OC)o1	848403788	BQRGLTVLXXYVNO-YODDSTMQSA-N	309.322	1.135	50	20	DDGD	
COCc1ccc(C=NNC(=O)Cn2nc(C)cc2C)cc1	741757998	ZURDPNOZCIXOJV-UHFFFAOYSA-N	300.362	1.797	50	20	DDGD	
CCN(CCO)NC(=O)c1csc(-c2ccc(F)cc2)n1	843514064	JQTPQUAZTBQOBG-UHFFFAOYSA-N	309.366	1.908	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cccc2scnc12	840912053	ZMBNKDUUBBJCQH-MRVPVSSYSA-N	313.404	1.652	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2nnc(-c3ccccn3)s2)C1	843863084	MCXWFRHNMAQRBT-MRVPVSSYSA-N	303.347	1.412	50	20	DDGD	
C[C@@H]1C[C@@H](CNC(=O)NNC(=O)Cc2ccc(F)cc2)[C@@H](C)O1	840435623	MECUHYCQEDMMQG-WZRBSPASSA-N	323.368	1.512	50	20	DDGD	
COc1ccc(NC(=O)NNc2ccnc(N(C)C)n2)cc1	740016688	TUHACHAWYXOKFZ-UHFFFAOYSA-N	302.338	1.700	50	20	DDGD	
CC[C@@H]1C[C@H]1CNC(=O)NNc1ncc(Br)cn1	847379975	KCYULSMJCLCKOM-SFYZADRCSA-N	314.187	1.911	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCCS(=O)(=O)C1CC1	840522537	CWFYHQZHNASGKR-XFXZXTDPSA-N	322.361	1.426	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)C(=O)c1ccc2c(c1)CCC2	920345309	GOHHUFHJNOMLQD-UHFFFAOYSA-N	300.358	1.696	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@H](C)CCCCN	841993342	BXXLRSGUZKPNPN-GFCCVEGCSA-N	322.409	1.086	50	20	DDGD	
CSCCNC(=O)NNc1ncc(Br)cn1	847307802	ZKYFDEALYKCLRH-UHFFFAOYSA-N	306.189	1.228	50	20	DDGD	
CN1Cc2c(NC(=O)NNC(=O)C(C)(C)C)cccc2C1=O	841735835	UVAADDFOERHVLY-UHFFFAOYSA-N	304.350	1.471	50	20	DDGD	
COC[C@@H](CNC(=O)NNc1c(F)cc(F)cc1F)OC	921876091	QAJVMCYLAOLOKF-MRVPVSSYSA-N	307.272	1.391	50	20	DDGD	
CCOCCO[C@H]1CCN(C(=O)NNC(=O)C2CCCC2)C1	753336556	PNPUPBVIPSUURS-ZDUSSCGKSA-N	313.398	1.045	50	20	DDGD	
COCC(=NNC(=O)c1nnc(-c2ccccc2)o1)C1CC1	754259585	OQMHSQLEKOBWQR-UHFFFAOYSA-N	300.318	1.879	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNC(=S)N[C@@H](C)C1CC1	855099016	PWAFMYNEOGCOLC-BDAKNGLRSA-N	323.466	1.814	50	20	DDGD	
CC(=NNC(=O)c1ccc(-n2cnnn2)cc1)C1CCOCC1	755886051	IHIUKBOAKTVMIV-UHFFFAOYSA-N	314.349	1.195	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1cc(OC)cc(OC)c1)C1CC1	852596939	PQRWYMPERGMWEH-CQSZACIVSA-N	321.377	1.836	50	20	DDGD	
CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)NNC(=O)CC(C)C	852691982	NXCYNURBMAIWEK-ABAIWWIYSA-N	313.398	1.485	50	20	DDGD	
CO[C@H](C=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1)C1CC1	853281109	NTZBVHPIANUCFV-RGCMKSIDSA-N	311.426	1.259	50	20	DDGD	
C[C@]1(CN2C(=O)[C@H]3CSCCN3C2=O)C[C@@H]1Br	857227219	IPYPBDMLKAJHQO-VHSKPIJISA-N	319.224	1.540	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)ccc1O)c1ccc(F)cc1O	750530035	BVSWWMJWVCOLFH-UHFFFAOYSA-N	324.695	1.965	50	20	DDGD	
C[C@H]1CN(C2CC2)CC1=NNC(=O)COc1ccc(F)cc1	755887482	KPQHUPLVVIZBDB-NSHDSACASA-N	305.353	1.791	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CN2C[C@@H]3CCCC[C@@H]32)cc1	852219592	ARGWPAVOLUJRBX-GJZGRUSLSA-N	312.373	1.194	50	20	DDGD	
Cc1noc(C(F)F)c1C(=O)NNC(=S)N[C@@H](C)C1CC1	855100553	DWOFRTODQKAAMV-YFKPBYRVSA-N	318.349	1.828	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)Cc2ccc(C)o2)cc1	754229166	MWUPLJAXLKQLFA-UHFFFAOYSA-N	316.357	1.919	50	20	DDGD	
COCCCOc1cccc(C(=O)NNc2ncccn2)c1C	929895673	FIIKUJYYKCZFCT-UHFFFAOYSA-N	316.361	1.957	50	20	DDGD	
CC(C)[C@H](NC=O)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	858139463	LEXXYLLUYZYQPL-AWEZNQCLSA-N	319.405	1.516	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(CN2CCCCC2)o1	929242594	MYVZHLAVKHVEIX-UHFFFAOYSA-N	322.434	1.560	50	20	DDGD	
C[C@]1(CNC(=O)C[C@@H]2CCCC(=O)N2)C[C@H]1Br	857388454	SKNXRCGSGARTEW-YGOYTEALSA-N	303.200	1.335	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2COC[C@H]2C)c1C	926022175	JNWUVMKBOMNNRL-RNCFNFMXSA-N	307.350	1.443	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2cc(C(F)(F)F)nn2C)n[nH]1	853322337	OUCLQMQOBFTGEU-UHFFFAOYSA-N	300.244	1.234	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(-c2csc(C)n2)c[nH]1	921042460	WPRVEXOHLZTCGI-UHFFFAOYSA-N	307.379	1.801	50	20	DDGD	
CCOc1nc(C(=O)NC[C@]2(C)C[C@@H]2Br)co1	857396077	XZPJWQCHHKDGJE-KWQFWETISA-N	303.156	1.977	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)[C@@H]1CSCCS1	751058585	HFDONELCEITCCE-NSHDSACASA-N	311.432	1.095	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNc1ccc(C)c(C(=O)OC)c1	857267100	MUHFGWYRRGHUDJ-UHFFFAOYSA-N	322.361	1.814	50	20	DDGD	
CC(=NNC(=O)CSc1nc(C)cc(C)n1)c1cnc[nH]1	853262229	LUYMDSCQXYAMHE-UHFFFAOYSA-N	304.379	1.449	50	20	DDGD	
C[C@@]1(CNC(=O)c2cnn(CCF)c2)C[C@H]1Br	857388896	WTEGMULTCMUOJZ-KOLCDFICSA-N	304.163	1.756	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@H]2C=NNC(=O)c2cnn(C)c2)cn1	853309177	JCNUJJSWLZWMSN-SMDDNHRTSA-N	316.365	1.130	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@@H](C)CN1CCOCC1	853356253	QDLQTNYUDITCES-LBPRGKRZSA-N	310.373	1.481	50	20	DDGD	
CC(Cn1cncn1)=NNC(=O)[C@@H](C)Oc1ccc(F)cc1	853275572	SGQNVALCTQBIFC-LLVKDONJSA-N	305.313	1.377	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H]2CC[C@@H](CN)C2)C[C@H]1Br	857106714	XRVNMPJWRBEBJH-DNRKLUKYSA-N	304.232	1.587	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])co1	759512816	VORCDYVNGWSGNF-UHFFFAOYSA-N	324.680	1.697	50	20	DDGD	
CC(=O)c1ncc(C(=O)NNC(=S)NCC2CCC2)s1	855093145	YHVXWYARXJXVTH-UHFFFAOYSA-N	312.420	1.255	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(C)cc1	858692241	SBTYBFCBABOICG-STQMWFEESA-N	318.377	1.055	50	20	DDGD	
O=C(NNC(=O)[C@H]1Cc2ccc(F)cc21)OCC(F)(F)F	856020521	KAYKYOIHHGDPRZ-VIFPVBQESA-N	306.215	1.785	50	20	DDGD	
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NNc1ccc(F)cn1	753916759	ZRCGEYBTEILXAA-NEPJUHHUSA-N	309.389	1.967	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNC(=O)CC2CC2)ccc1F	756055810	NDRRZHQVZQRHKR-UHFFFAOYSA-N	309.297	1.565	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CO[C@H]2CCCC[C@H]2C)nc1	759729206	PIZKEYUPTPDFTO-YPMHNXCESA-N	321.377	1.907	50	20	DDGD	
Cc1noc(C)c1C=NNC(=O)CCCNC(=O)C(C)(C)C	853409835	RGEIQKDUEUPGDA-UHFFFAOYSA-N	308.382	1.684	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccccc1CC(F)(F)F	756769514	MIZRTHNKGFVVMH-UHFFFAOYSA-N	305.256	1.591	50	20	DDGD	
CCCc1cc(C(=O)NN(C)C(=S)NCCCOC)no1	854286418	ZTENTPOQMCJVIR-UHFFFAOYSA-N	314.411	1.115	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@H](C)[C@H](C)S(C)(=O)=O	855369550	PSIFFGMJBIOCQL-ZJUUUORDSA-N	302.371	1.646	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)c2cnccn2)c1	756223706	MFYNNZPQAPDILH-UHFFFAOYSA-N	321.724	1.605	50	20	DDGD	
COc1ccc(CCC(C)=NNC(=O)[C@H]2CCC(=O)N2)cc1	863147118	ZAIKRODDHVJGBW-CQSZACIVSA-N	303.362	1.399	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C(C)(C)C)ccc1-n1cnnn1	769949628	TXEVTKBZSMXPSI-UHFFFAOYSA-N	317.353	1.170	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@H]1CCN(C(C)(C)C)C1=O	867445737	NEJSKBHMQSUHFA-JTQLQIEISA-N	324.874	1.570	50	20	DDGD	
COc1cccc2c1CC[C@H]2NC(=O)NNC(=O)C1CCC1	760212182	RDZXFLFWZMEBNZ-CYBMUJFWSA-N	303.362	1.813	50	20	DDGD	
COC(=O)c1ccccc1C=NNC(=O)Cc1cc(C)[nH]n1	767411446	SMJBAKRTYBPFQA-UHFFFAOYSA-N	300.318	1.198	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@@H]1CCC[C@H]2OCC[C@H]12	760904190	YNCIINQUXQZLJU-MRVWCRGKSA-N	321.352	1.727	50	20	DDGD	
C[C@H](NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(F)(F)F	862306262	HUANZULSSUIZDJ-YFKPBYRVSA-N	322.199	1.688	50	20	DDGD	
Cc1csc(C(=O)NN=C2CCC3(CC2)NC(=O)NC3=O)c1	863155413	JMSPHDFFFWDSQU-UHFFFAOYSA-N	320.374	1.295	50	20	DDGD	
Cc1cccc(OCCCCC(=O)NNC(=O)c2cn[nH]c2)c1	862474294	JFBSCPKEMFXRSI-UHFFFAOYSA-N	316.361	1.728	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=C2CC(c3ccc(Cl)cc3)C2)N1	863152937	JEYPUKKPUMVBLH-HQVZTVAUSA-N	305.765	1.968	50	20	DDGD	
N#C/C=C(/c1ccc(F)cc1)N1CC[C@@H](CS(N)(=O)=O)C1	932951566	JVRBYSKORUZKGY-SBALOJEDSA-N	309.366	1.301	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)[C@H]2CCCCO2)c1C	861450515	ASPIAWOQQYXNBP-CYBMUJFWSA-N	307.350	1.725	50	20	DDGD	
Cn1nc(C(=O)O)cc1C(=O)NC[C@]1(C)C[C@H]1Br	864058866	XWINIGRLMYNLIW-KCJUWKMLSA-N	316.155	1.022	50	20	DDGD	
COc1ccc(OCC(=O)NNc2ccc(Cl)nn2)cc1C	768114505	BLHRCKNDIVQPMH-UHFFFAOYSA-N	322.752	1.969	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(C#N)cc1Cl	863152696	DHSACFBTLRIUPN-LBPRGKRZSA-N	304.737	1.330	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NNc1cncc(Br)c1	1116395518	MQOKXMOXYIUNJL-ZJUUUORDSA-N	300.156	1.712	50	20	DDGD	
CC(C)(C(N)=O)C(=O)NNc1ccccc1Br	768093935	TWQPKMLKZOGZNT-UHFFFAOYSA-N	300.156	1.404	50	20	DDGD	
CN1C(=O)C[C@H](C(=O)NNC(=O)C2CCCC2)c2ccccc21	1115839740	FIXBVIMSJUNRFW-ZDUSSCGKSA-N	315.373	1.474	50	20	DDGD	
Cc1nc(CC(=O)NN=C2CCCc3nc(O)ccc32)cs1	764667967	UMQBBHKWTWQWCD-UHFFFAOYSA-N	316.386	1.951	50	20	DDGD	
COCC1(C(=O)NNC(=O)Cc2cccc3ccccc23)CC1	778557330	ICVIMZNHLUFBRP-UHFFFAOYSA-N	312.369	1.956	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cccc([S@@](C)=O)c2)n1	771736311	ISXJZXQILRCKHD-JOCHJYFZSA-N	319.390	1.037	50	20	DDGD	
CCCN(C)CC(=O)NNC(=S)Nc1ccc(C)cc1C	873758821	WTHQTIJXIRWZJY-UHFFFAOYSA-N	308.451	1.963	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NN=c1cc[nH]cc1Cl	879133910	MLSPBKNQIHLPLL-AMIZOPFISA-N	305.769	1.689	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cn2ccccc2n1	777828022	KERDWRPWNBFGNW-UHFFFAOYSA-N	310.313	1.878	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C\c1cccs1	771892224	XMEMYOTUWAZOEG-JMEBYUIHSA-N	324.402	1.887	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc(O)n1	777274021	HWPCTLKZKZADAI-UHFFFAOYSA-N	316.273	1.079	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)COCCOC)C1(CC)CC	872401896	MQTOMAHSKSXYER-CYBMUJFWSA-N	300.399	1.737	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccc(-n2ccnn2)cc1	772844545	MOGHAXMWHWYNMK-UHFFFAOYSA-N	323.360	1.938	50	20	DDGD	
Cc1cccc(C=NNC(=O)C(=O)NC2CC2)c1OC(F)F	777879659	MWHNHDNIROPREV-UHFFFAOYSA-N	311.288	1.325	50	20	DDGD	
CNc1ccc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)cc1	772315512	JWNUTLSYHVKSRZ-NSHDSACASA-N	321.377	1.467	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2nccnc2C(C)C)cc1	772867212	TWOMFTCSWYDWGS-UHFFFAOYSA-N	313.361	1.990	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1ccnc(O)c1	773618897	DCKBXPZBPJVIJJ-UHFFFAOYSA-N	305.265	1.470	50	20	DDGD	
COCC1(C)CCN(C(=O)NNC(=O)Cc2cccnc2)CC1	773540614	MNZOPLSJSJBGAN-UHFFFAOYSA-N	320.393	1.113	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)Cc2c(C)n[nH]c2C)c1	873773996	BERHZFDUHNVADV-UHFFFAOYSA-N	317.418	1.895	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1F)[C@@H]1CCc2nncn2C1	871271764	YITBFBOFFWCYSO-MRVPVSSYSA-N	309.732	1.776	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NNc1ccc(F)cn1	874647380	UUBQFIWDXHYWFO-VHSXEESVSA-N	310.329	1.577	50	20	DDGD	
COCCCNC(=O)NN=Cc1cccc(Br)n1	777885748	BJWJZUKULMHLOM-UHFFFAOYSA-N	315.171	1.514	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H]2c3c[nH]nc3CC[C@@H]2C)c1	880826236	MCSXZURAOVIDRZ-ZANVPECISA-N	318.402	1.907	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)Cn1c(C)nc2ccccc21	770597573	QHPQXGYOODQIEO-UHFFFAOYSA-N	324.388	1.791	50	20	DDGD	
N#CCc1ccccc1CC(=O)NNc1ncccc1[N+](=O)[O-]	777524180	SJHHEWAANAFIAW-UHFFFAOYSA-N	311.301	1.742	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(C#N)cc2)c(O)c1O	780917451	IOGPRBKSOFWTFA-UHFFFAOYSA-N	311.297	1.353	50	20	DDGD	
O=C(NCCOCC(F)(F)F)NNc1ncncc1Cl	780962768	SXHLFPHWTBBXSV-UHFFFAOYSA-N	313.667	1.335	50	20	DDGD	
CC(CCCOc1ccccc1C(N)=O)=NNC(=O)C(F)F	782235636	ZFPKFMXBEPCQHB-UHFFFAOYSA-N	313.304	1.702	50	20	DDGD	
CC(=O)c1cccc(NC(=O)C(=O)NNc2ccnc(F)c2)c1	784852099	UDLLZFADXLXCIH-UHFFFAOYSA-N	316.292	1.505	50	20	DDGD	
CCn1c(NNC(=O)c2ccnc(C)c2)nc2ccccc2c1=O	789887192	BGEVQOPPLVVRER-UHFFFAOYSA-N	323.356	1.877	50	20	DDGD	
C[C@]1(CNC(=O)NCC[C@H](O)C2CC2)C[C@@H]1Br	895924205	TYHVXCAELLNVSU-JBLDHEPKSA-N	305.216	1.620	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1ccc(N2CCC(O)CC2)cc1	781020778	FEKHAKZFSFVJBG-UHFFFAOYSA-N	312.373	1.222	50	20	DDGD	
CC(C)Cn1ccc(C(=O)NNC(=O)NC2CCCCC2)n1	899940872	ZBUJFIVNLAEGHQ-UHFFFAOYSA-N	307.398	1.816	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)Cc2ccc3ccccc3c2)CO1	784144531	JPIJKJOVAZKGNI-BLLLJJGKSA-N	312.369	1.955	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2cc(C)cnc2Cl)c1	787898442	KKQTVCQXORDPTL-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
CCOc1c(Cl)cccc1C=NNC(=O)C(=O)N1CCCC1	782218855	HAKWQLDKHPYOLS-UHFFFAOYSA-N	323.780	1.811	50	20	DDGD	
Cc1nc2cc(C(=O)NNC(=O)CC(F)(F)F)ccc2o1	792633174	QBRHEUZSBLZKBU-UHFFFAOYSA-N	301.224	1.850	50	20	DDGD	
CCn1ncc2cc(C(=O)NNC(=O)c3cccnc3)c(C)nc21	799406921	IHOICZLWXFEWCF-UHFFFAOYSA-N	324.344	1.229	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1scnc1Cl	798314598	SAHBBTZUXZKTJN-UHFFFAOYSA-N	302.665	1.303	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2cnnn2C)c(C)c1	799289859	OPQXQDPBRYNRCH-UHFFFAOYSA-N	304.379	1.063	50	20	DDGD	
O=C(CCc1cncnc1)NNC(=O)c1cccc(Cl)c1	794183360	RSUNCGMNRGTVLV-UHFFFAOYSA-N	304.737	1.524	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1nccn2ccnc12	791067626	YCNFZQNBDZDZMX-UHFFFAOYSA-N	316.252	1.534	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41	798123850	AVKFPRKTMCADLR-VBJLVJOSSA-N	303.431	1.062	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cc(C(F)(F)F)n[nH]1	799471726	JKIHXVAQQYJYBS-UHFFFAOYSA-N	305.304	1.611	50	20	DDGD	
CSSCCNC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1	791093891	BLEJJRMMESPLNB-UHFFFAOYSA-N	323.465	1.006	50	20	DDGD	
Cc1noc(C2CCC(=NNC(=O)C(=O)NC(C)C)CC2)n1	797400652	JOHNLMWETHNIOM-UHFFFAOYSA-N	307.354	1.032	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCC1CC1)c1cc(F)cc(C#N)c1	795586315	DEGIRVGECXYKTG-UHFFFAOYSA-N	318.352	1.715	50	20	DDGD	
N#C/C(=C\c1cn(Cc2cccnc2)nn1)C(=O)[C@H]1CCCOC1	794954964	XFKNDXIJSHLGMR-UUINEXAVSA-N	323.356	1.624	50	20	DDGD	
O=C(NNc1ncc(F)cn1)C1CCC(NC(=O)C2CC2)CC1	793750218	VYFNFLOIEJTSGO-UHFFFAOYSA-N	321.356	1.144	50	20	DDGD	
Cc1noc([C@H](C)NC(=O)NNc2ccc(C(C)(C)C)nn2)n1	1318693688	HTXLJXXBFWHWDV-QMMMGPOBSA-N	319.369	1.853	50	20	DDGD	
O=C(C[C@H]1CCS(=O)(=O)C1)NNc1ccc(Cl)nc1	1318785198	SYWGBKBCVVYCKY-MRVPVSSYSA-N	303.771	1.003	50	20	DDGD	
O=C(Cn1c(=O)oc2ccccc21)NNc1ncccc1F	1328260850	LIKGDUIXVYODDZ-UHFFFAOYSA-N	302.265	1.272	50	20	DDGD	
Cn1ccc(NNC(=O)CCNc2ccccc2[N+](=O)[O-])n1	1320978054	DUYKQHHZUVAMLW-UHFFFAOYSA-N	304.310	1.274	50	20	DDGD	
COC(=O)C(=O)NNC(=O)NC1CCC2(CCCCC2)CC1	1320948983	HRJPJWYXHZLMFC-UHFFFAOYSA-N	311.382	1.383	50	20	DDGD	
O=C(NCc1cc(OCC(F)F)ccn1)NNc1cccnn1	1320161052	SCPQJJGIULUTLK-UHFFFAOYSA-N	324.291	1.342	50	20	DDGD	
COCC(=O)NCCC(=O)NNc1cccc(C(F)(F)F)c1	1322452854	QNRCQJNVKXVYEO-UHFFFAOYSA-N	319.283	1.301	50	20	DDGD	
CNC[C@@H](C)CNC(=O)NNc1ccc(F)c(C(=O)OC)c1	1325681379	ROPZBQNDGCWJGF-SECBINFHSA-N	312.345	1.094	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cnc(O)c2ccccc12	1320620189	SUCUSQDKKDUYNL-UHFFFAOYSA-N	304.375	1.458	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cn(C(C)(C)C)nn2)cc1	1338953107	BIKUNHMNLYXWGS-UHFFFAOYSA-N	317.349	1.117	50	20	DDGD	
COc1ccc(C=NNC(=O)C2CCOCC2)c(C)c1OC	1330895437	GPSABCZKLFJATR-UHFFFAOYSA-N	306.362	1.889	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)C1(O)Cc2ccccc2C1	1331820968	KXEHFXIPHWEIIQ-UHFFFAOYSA-N	324.249	1.335	50	20	DDGD	
C[C@@H]1Nc2ccnn2[C@H](C)[C@H]1CCC(=O)NNC(=O)C1CCC1	1345933436	YIQJRMGLZDGLPR-LOWVWBTDSA-N	319.409	1.602	50	20	DDGD	
Cc1csc(CNC(=O)NNc2nncc(N)c2Cl)n1	1340530549	YMENFZYUTGVCFQ-UHFFFAOYSA-N	313.774	1.303	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1cccc(C(=O)N2CCCCC2)c1	1346737503	ZUNLNFAEMSTVEI-UHFFFAOYSA-N	324.384	1.887	50	20	DDGD	
O=C(N[C@@H](CO)Cc1cncs1)C1CCC(Cl)CC1	1347152600	ZVLRMMOPSQEVHQ-VQXHTEKXSA-N	302.827	1.960	50	20	DDGD	
C[C@@]1(COC(=O)CCn2cnccc2=O)C[C@@H]1Br	1345220618	RXVGTYNSEGEJAN-CABZTGNLSA-N	315.167	1.350	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2ncoc2[C@H]2CCCO2)c1	1351628285	OLQHJKPIHCILPJ-SECBINFHSA-N	321.358	1.971	50	20	DDGD	
O=C(O)CC1CCC(=NNC(=O)COc2ccccc2O)CC1	1601946934	YXUYITNBDOZSEZ-UHFFFAOYSA-N	320.345	1.908	50	20	DDGD	
Cc1cc(=NNC(=O)Nc2cccc(OCC(=O)O)c2)cc[nH]1	1607696074	YRDNSBYYNORVER-UHFFFAOYSA-N	316.317	1.424	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1cc(F)cc(C(=O)O)c1	1601544278	VSILIJRNSUGTIO-UHFFFAOYSA-N	321.264	1.261	50	20	DDGD	
O=C(O)C(=O)NN=C1CCN(C2CC2)[C@@H](c2ccccc2)C1	1601637691	IHQKOUJPGAQVRP-CQSZACIVSA-N	301.346	1.543	50	20	DDGD	
Cc1cc(NNC(=O)[C@]2(C(=O)O)C[C@H]3CC[C@H]2C3)nc(C)n1	1605213597	XHBIINMPDSUCBK-PGUXBMHVSA-N	304.350	1.428	50	20	DDGD	
CN(CCC(=O)NNc1ncccc1C(=O)O)C1CCCCC1	1604134089	OVDOLLODDHWQGG-UHFFFAOYSA-N	320.393	1.878	50	20	DDGD	
CN1CCCC[C@@H](C(=O)NNc2cccc(F)c2C(=O)O)C1=O	1606226415	SILJJLYNTJVUEB-VIFPVBQESA-N	323.324	1.226	50	20	DDGD	
O=C(O)Cc1ccc(NC(=O)NNC(=O)CC2CC2)cc1F	1610793270	OKPHSVVOOVYHCN-UHFFFAOYSA-N	309.297	1.406	50	20	DDGD	
O=C(NN=CCCc1ccc(F)cc1)[C@@H]1CN2CCC[C@H]2CO1	1549320023	KCVJHXWXSMRTOE-HOTGVXAUSA-N	319.380	1.724	50	20	DDGD	
Cc1cc(C(=O)O)ccc1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	1610441698	LARDXSZBLQUPTM-MWLCHTKSSA-N	321.333	1.271	50	20	DDGD	
CCOc1cccc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)c1	1549319506	UYSZGNWUVZMSGJ-GOEBONIOSA-N	317.389	1.399	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)OC)C2	1800077394	KQFFRXVFOXTMRM-UJPOAAIJSA-N	316.829	1.677	50	20	DDGD	
Cn1ccc(C(=O)NNc2ccc(C(=O)O)c(Cl)c2)cc1=O	1610607524	DXYAVBHDFPXZCF-UHFFFAOYSA-N	321.720	1.494	50	20	DDGD	
CO[C@@H]1C[C@H](C(=O)N2CCCC2)N(C[C@@H]2[C@H](C)[C@@H]2Cl)C1	1550633464	RHJPNYJDZXJCAD-MRTXSQPYSA-N	300.830	1.571	50	20	DDGD	
Cc1c([C@@H]2CN(C[C@@H]3[C@H](C)[C@H]3Cl)C[C@H]2C(N)=O)cnn1C	1550648144	FUJQLWWALVEZQJ-NIXGCWMWSA-N	310.829	1.103	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H](F)CN1)c1cccc2ccccc12	1574333650	GPSJDHMVNQQAGU-BXUZGUMPSA-N	301.321	1.301	50	20	DDGD	
O=C(NNc1ccnc(C(F)(F)F)c1)[C@@H]1C[C@@]12CCNC2	1574333742	IZCIHBDMEZAQHE-JOYOIKCWSA-N	300.284	1.543	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)N[C@H]2[C@@H]3C[C@@H]2CN3)cc1	1575273402	XIACNQBEGGIYGR-KWCYVHTRSA-N	316.405	1.288	50	20	DDGD	
O=C(NNC(=O)c1cccc2c1CNC2)c1ccc(Cl)nc1	1580737873	ZOTHPWVOQKYCMF-UHFFFAOYSA-N	316.748	1.413	50	20	DDGD	
CC1(C)C[C@]1(C(=O)O)C(=O)NNC(=O)Cc1ccccc1F	1589219879	SNMRWQMQNWUZBN-OAHLLOKOSA-N	308.309	1.017	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)N[C@@H]1CCC[C@@H](F)C1	1593165989	PXKZKLCRROENIC-GHMZBOCLSA-N	319.344	1.774	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1	1590393405	DMWOFWSZJPRLOB-ZETCQYMHSA-N	321.316	1.205	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNc2cccc(C(=O)O)c2F)C1	1594694958	CTJGHHLJUWGVDM-VIFPVBQESA-N	323.324	1.226	50	20	DDGD	
CN(C)c1cccnc1C(=O)NNc1cccc(F)c1C(=O)O	1598342146	SDSZIMCEHACPFJ-UHFFFAOYSA-N	318.308	1.742	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)O)O2)c1	1599426153	ZJFDHEMPZGVNRM-NZXMKCKXSA-N	312.297	1.156	50	20	DDGD	
COc1ccc(OCC(=O)NN=C2CC[C@@H](C(=O)O)C2)cc1	1599604744	RKDMJDHVEXAWBF-SNVBAGLBSA-N	306.318	1.431	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNC(=O)c2cccc(C#N)c2)c1	1594288171	BOCFTNONLIHAFE-UHFFFAOYSA-N	323.308	1.640	50	20	DDGD	
O=C(NN=Cc1cc(Cl)ncc1C(=O)O)c1nccs1	1776109483	LORUMLUFBRXZIZ-UHFFFAOYSA-N	310.722	1.654	50	20	DDGD	
CCn1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)O)nn1	1777003975	VRXGNJYSCSAWAC-YFHOEESVSA-N	311.301	1.542	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1c(F)ccc(C(=O)O)c1F	1777033731	GCVOOLSDAFWEEE-ALCCZGGFSA-N	316.285	1.419	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1ccc(O)c(Cl)c1	5172065	KIDWQVFGJUKTGO-UHFFFAOYSA-N	306.705	1.826	50	20	DDGD	
CN(NC(=O)Cn1c(=O)cnc2ccccc21)c1ccccc1	15133899	HTFVUNIEKAIPAL-UHFFFAOYSA-N	308.341	1.564	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccn(CCC(C)C)n2)n1	163307121	YNRNOHBZGLAOEL-UHFFFAOYSA-N	319.369	1.876	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccccc2C(F)(F)F)[nH]n1	151219329	CHWVGVVYGCYJNE-UHFFFAOYSA-N	312.251	1.812	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2ccccc2Br)CCN1	153558010	ZGHIHKDCKHMAGO-QMMMGPOBSA-N	312.167	1.418	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CN(C)C)cc1C(F)(F)F	155631844	FZISTSQKHRBHGT-UHFFFAOYSA-N	318.299	1.728	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)nc1	159499098	LPJMLLMZLDXHDH-UHFFFAOYSA-N	321.268	1.477	50	20	DDGD	
CN1CCC[C@@H]2CN(S(=O)(=O)CBr)CC[C@H]21	228316106	ZBBWGQSODHPDHM-NXEZZACHSA-N	311.245	1.085	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccccc1OC(F)F	109859367	INSHHAIKMDNAFD-UHFFFAOYSA-N	310.260	1.394	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1CCCc2ccc(C)cc21	179558220	XXHLIVVIKMRXQD-CQSZACIVSA-N	305.378	1.739	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCc2cscn2)cc1	171235902	MOMWOFGEHQMXGZ-UHFFFAOYSA-N	319.386	1.611	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNC(=O)Cc1ccccc1F	66839837	JNRFQZPGMSUUQR-CQSZACIVSA-N	307.369	1.390	50	20	DDGD	
CC(C)NC(=O)CN(C)S(=O)(=O)c1ccc(CCl)cc1	312253175	CSLJNRAUGRGPSM-UHFFFAOYSA-N	318.826	1.571	50	20	DDGD	
COCc1cccc(NC(=O)C(=O)NNc2ccc(C#N)cc2)c1	119705265	ZPIZHQCDJKQALM-UHFFFAOYSA-N	324.340	1.786	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNC(=O)Cc1ccccc1F	66785068	HNJSHODYRUOOAY-UHFFFAOYSA-N	305.309	1.363	50	20	DDGD	
CC(C)Oc1ccc(NC(=O)NNC(=O)c2cnn(C)c2)cc1	184073097	HJADMNGNFFKIQF-UHFFFAOYSA-N	317.349	1.674	50	20	DDGD	
C[C@H](O)CC(C)(C)CNC(=O)NNC(=O)c1ccc(C#N)cc1	176077459	PZPWVHBORRRPGN-NSHDSACASA-N	318.377	1.299	50	20	DDGD	
Cn1c(NNC(=O)c2ccc(Cl)o2)nc2ccccc2c1=O	113188070	UEYKBADTZHEJMB-UHFFFAOYSA-N	318.720	1.937	50	20	DDGD	
CCNC(=O)NNC(=O)CCc1ncc(-c2ccccc2)o1	65190358	VSSNBRKKEFKYNU-UHFFFAOYSA-N	302.334	1.625	50	20	DDGD	
CC[C@@H](C)CN(C)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	171948177	GOFSTZRJANXZAP-LLVKDONJSA-N	322.365	1.334	50	20	DDGD	
CC(C)C(=O)NNc1ccccc1S(=O)(=O)NC(C)(C)C	114887593	XOBHOKIPCWVIQO-UHFFFAOYSA-N	313.423	1.863	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)C(F)(F)C1(O)CCC1	305744707	OVCUCKZFXHHXCJ-UHFFFAOYSA-N	301.249	1.588	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccc(OCCOC)c1	64424974	YFQWPINDQSQSCS-UHFFFAOYSA-N	309.366	1.456	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@]12CCc1ccccc12)c1cccnc1	174975814	VGUJKXHKNYHCKG-CRAIPNDOSA-N	307.353	1.747	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)NC[C@@H]1CC=CCC1	69076721	UUZWERWWZHSPTP-GFCCVEGCSA-N	321.352	1.891	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNC(=O)c1ccc2ccccc2c1	124771259	YOSJMYUMZYNJPH-NSHDSACASA-N	314.341	1.800	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccc(C)nn2)c(Cl)c1	123851463	VRFUMLFMKRNCLB-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
Cc1nscc1C(=O)NNC(=O)c1c(C)nc2ccccn12	181727417	LUXKBVSCNOHNAL-UHFFFAOYSA-N	315.358	1.482	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cc(C3CC3)[nH]c(=O)c2)cc1	185094843	PVGPIACILCPFGX-UHFFFAOYSA-N	322.324	1.199	50	20	DDGD	
CCS(=O)(=O)Nc1ccccc1C(=O)NNc1ccncc1	183017108	KJPVGUUDVHFNLY-UHFFFAOYSA-N	320.374	1.600	50	20	DDGD	
COc1cccc(NNC(=O)c2cnn(-c3ccncc3)c2C)n1	180728147	VFUREFMGQCWONY-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
N#CCSCC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	32669098	QDDRULQHZHKHDS-UHFFFAOYSA-N	321.446	1.997	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCC[C@](C)(O)c1ccccc1	186632525	XUWQSMMJOYGZCU-INIZCTEOSA-N	307.394	1.661	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccncc2)on1)c1cccnc1	127051399	OQQOZHOCSXOYCJ-UHFFFAOYSA-N	309.285	1.206	50	20	DDGD	
Cn1ccc(NC(=O)C(=O)NNc2cccc3c2CCCC3)n1	189215695	VPFFMQIMXMDODO-UHFFFAOYSA-N	313.361	1.381	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H](CC(C)C)NC(C)=O)c1	180749070	HINNRWKCFPGYNW-AWEZNQCLSA-N	311.357	1.828	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc2ncccc2c1	124642851	VIUXSGMTNBUZAI-JTQLQIEISA-N	314.345	1.367	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)N[C@@H]1CCCOCC1	181800408	CODASZDLZLOWTR-CYBMUJFWSA-N	309.341	1.268	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CCc2cccc3c2OCO3)n1	184155156	IVOILKKHZULOJC-UHFFFAOYSA-N	314.345	1.898	50	20	DDGD	
CCOCCCC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	47056149	OYXWQKOBEDDKHA-NSHDSACASA-N	312.341	1.557	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNC(=O)c2ccc(C)s2)C1	133712813	AUROZDNQIUXXNH-SNVBAGLBSA-N	309.391	1.076	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(Cl)ccc1Cl	49167535	IGUZEEJXTIUREM-UHFFFAOYSA-N	320.176	1.974	50	20	DDGD	
CN1C(=O)Cc2cc(NC(=O)NNC(=O)CC(C)(C)C)ccc21	194096501	IPJYADYTWJZXOV-UHFFFAOYSA-N	318.377	1.794	50	20	DDGD	
CC#CCNC(=O)NNC(=O)c1cccc(Br)c1	135526627	WQIRIQKLFANPIT-UHFFFAOYSA-N	310.151	1.416	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(F)cc2nccnc12	131795579	ZFWKASCEHWUQDP-UHFFFAOYSA-N	314.280	1.324	50	20	DDGD	
O=C(CCc1ccncn1)NNc1cccc(C(F)(F)F)n1	191957154	DJUVCXGTGHBRRL-UHFFFAOYSA-N	311.267	1.966	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2nn[nH]c2-c2ccccc2)o1	194206470	IVJWPSQVURYCLG-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCc1ncc(-c2ccccc2)o1	190051319	ITCNKYKJZDEEBC-UHFFFAOYSA-N	317.345	1.193	50	20	DDGD	
Cc1ccccc1O[C@@H](C)CNC(=O)NNc1ncccn1	266800418	NMICCTHTXJXEIC-LBPRGKRZSA-N	301.350	1.879	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2CSCCS2)n1	267452533	GLZFJDFMNATNRP-QMMMGPOBSA-N	300.409	1.085	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@H](C)N(C)Cc1ccccc1	264691884	AFKBQPRQZJOTOD-AWEZNQCLSA-N	320.437	1.883	50	20	DDGD	
COC(C)(C)CC(=O)NNC(=O)NCc1ccc(Cl)cc1	278878907	VZOUCJRYXABMPV-UHFFFAOYSA-N	313.785	1.986	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H](C)n2nnnc2C(C)(C)C)cc1	273413781	IFNKUANFIWCZPO-LLVKDONJSA-N	302.382	1.983	50	20	DDGD	
CC(C)Sc1ccccc1NC(=O)C(=O)NNC(=O)C1CC1	273907983	ACWAEEFOMAJSQP-UHFFFAOYSA-N	321.402	1.683	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CCCCN1C(=O)c1ccccc1	367665401	KWEHZNIJXFGROA-ZDUSSCGKSA-N	319.361	1.411	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)COC(C)(C)C	272269726	YEVVGHLPZYDMPH-UHFFFAOYSA-N	309.366	1.070	50	20	DDGD	
CCN(CC)C(=O)CCCNC(=O)NNc1ccc(OC)cn1	275905263	CMGYEZHNACDICP-UHFFFAOYSA-N	323.397	1.365	50	20	DDGD	
Cn1cc([C@@H](CO)NC(=O)[C@@H](Br)C(C)(C)C)cn1	274375176	LPFWUNDVULYGIX-NXEZZACHSA-N	318.215	1.379	50	20	DDGD	
CCCn1ccc2cc(NC(=O)C(=O)NNC(=O)OC)ccc21	273166548	CXDLPDQWQLDIKY-UHFFFAOYSA-N	318.333	1.377	50	20	DDGD	
CC[C@@H](C(=O)NNc1cc(Cl)nc(N)n1)N(CC)CC	273340773	LANZGNPXOGSKNQ-QMMMGPOBSA-N	300.794	1.276	50	20	DDGD	
CCOc1cc2c(cc1NC(=O)NNC(=O)C1CC1)O[C@H](C)C2	274100943	OXFDCVOKPLPWDU-SECBINFHSA-N	319.361	1.971	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1ccc(O[C@@H]2CCOC2)cc1	278875092	DACNEHYAQVWDKC-CYBMUJFWSA-N	315.329	1.257	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CC2CC2)cc1NC(C)=O	273367658	XDYGTBVCZMAWCX-UHFFFAOYSA-N	320.349	1.606	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C(C)=O)c(C)c1	274086517	SJFRPQRAJOMBOK-VIFPVBQESA-N	319.361	1.330	50	20	DDGD	
NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)NNC(=O)C1CC1	273003992	NMAJJMDYMAYZKG-NSHDSACASA-N	315.295	1.133	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CC(C)C)cc([N+](=O)[O-])c1C	276578437	NZKUZQAJEXRWBR-UHFFFAOYSA-N	309.322	1.719	50	20	DDGD	
C[C@H]1CCCN(C(=O)C(=O)NNc2ccccc2[N+](=O)[O-])C1	274608839	NFLSAKOBQCRWPC-JTQLQIEISA-N	306.322	1.296	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2OCCc3ccccc32)n1	373715816	YXAINBJTKQEWFT-HNNXBMFYSA-N	311.341	1.465	50	20	DDGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NNc1cccc([N+](=O)[O-])c1C	285815928	QZSYJXAEXOJAQC-XPTSAGLGSA-N	322.365	1.897	50	20	DDGD	
C[C@H](C(=O)NNc1nc2ccccn2n1)N(C)CC(F)(F)F	281496458	FSPKRKGBTLZLOR-MRVPVSSYSA-N	316.287	1.055	50	20	DDGD	
CC[C@H](C)CCC(=O)NNC(=O)COc1ccc(C#N)cc1	285110289	MRPLBMFQBVHADU-LBPRGKRZSA-N	303.362	1.911	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Cc1ccccc1CC	287742835	HTKLLMWCSIPYBY-UHFFFAOYSA-N	322.405	1.728	50	20	DDGD	
C[C@@H]1CC=CC[C@H]1C(=O)NNC(=O)COc1ccccc1F	284993199	QNAOJRKIUCEVII-VXGBXAGGSA-N	306.337	1.954	50	20	DDGD	
CN1C(=O)CC[C@@H]1C(=O)NNc1nc(C(F)(F)F)cs1	807036908	IJJXPXKSJZVPIH-RXMQYKEDSA-N	308.285	1.226	50	20	DDGD	
CN(C)CC(=O)NNC(=O)CCc1ccc2ccccc2c1O	295299033	QWODLCWRNFTFJT-UHFFFAOYSA-N	315.373	1.187	50	20	DDGD	
O=C(NCc1ccc(F)cc1F)NNC(=O)[C@@H]1CCCCO1	296273872	HYNWHOTXJLWUFF-LBPRGKRZSA-N	313.304	1.364	50	20	DDGD	
CSc1cc(C)ccc1CNC(=O)NNC(=O)[C@@H]1CCCO1	292479199	FIXFXJRDFXPAOH-LBPRGKRZSA-N	323.418	1.726	50	20	DDGD	
CS[C@H](C)CC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	801105952	MFVOQTAERDAJFV-SNVBAGLBSA-N	309.391	1.223	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cccc(SC)n1	806785276	URQZTAVNVFFGBY-UHFFFAOYSA-N	306.351	1.751	50	20	DDGD	
Cc1ccccc1NCCC(=O)NNC(=O)[C@@H]1CCCCO1	295823275	YIHDKZDYJOBWMO-AWEZNQCLSA-N	305.378	1.514	50	20	DDGD	
CS[C@H]1CC[C@@H](N(C)S(=O)(=O)CBr)C1	707184974	AMTYCCMKFUYHPX-SFYZADRCSA-N	302.259	1.885	50	20	DDGD	
O=C1CCc2cc(C(=O)NNc3cccc(F)n3)ccc2N1	804762968	DSKNEPOFDNAMPQ-UHFFFAOYSA-N	300.293	1.862	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(-c2cnco2)cc1	294748228	VTHZHRAIDVVCAK-LBPRGKRZSA-N	301.302	1.282	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc(F)c(O)c(Cl)c2)O1	293965298	RKBXPKOHYZIETP-WKEGUHRASA-N	316.716	1.513	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)n[nH]1	802005387	FWCZYQHQZRFVQZ-UHFFFAOYSA-N	309.276	1.717	50	20	DDGD	
O=C(NNC(=O)C1CCSCC1)Nc1ccc2c(c1)OCO2	802105267	UJBUNJYESGUPBG-UHFFFAOYSA-N	323.374	1.711	50	20	DDGD	
Cc1cc(F)cc2c1CN(CC(=O)NNC(=O)C(C)(C)C)CC2	800472750	ZTEZNTNXDMPZJY-UHFFFAOYSA-N	321.396	1.686	50	20	DDGD	
O=C(NNC(=O)c1cncc(O)c1)Nc1cc(F)cc(F)c1	803396238	NXQXBHYHCBOKNV-UHFFFAOYSA-N	308.244	1.532	50	20	DDGD	
Cc1ccc2nc(C=NNC(=O)COc3ccccc3O)cn2c1	814953008	HSRSUQLOMAISSP-UHFFFAOYSA-N	324.340	1.877	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1ccc(C)c(C(=O)OC)c1	816689831	ZBPFFMODRLBSMJ-GFCCVEGCSA-N	324.377	1.666	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2ccccc2C)[nH]1	814251986	ZKIXOERJANVKGH-UHFFFAOYSA-N	301.302	1.185	50	20	DDGD	
CC(C)N(C)C[C@H](C)NC(=O)NNc1ccc(Cl)nn1	811930738	CCOORHJXQYHVTB-VIFPVBQESA-N	300.794	1.485	50	20	DDGD	
CN(C)N(C(=O)[C@@H]1CC2CCC1CC2)[C@H]1CCS(=O)(=O)C1	816776752	GAOCAUHSIKHCFN-CLRIEMFWSA-N	314.451	1.305	50	20	DDGD	
O=C(NCCc1cn[nH]c1)NNC(=O)c1ccc2ccccc2c1	811860868	XYTNHESRQUOFRQ-UHFFFAOYSA-N	323.356	1.750	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNc1ccc(-n2ccnc2)nn1	811455510	JUOKAHMHFWZHDM-UHFFFAOYSA-N	318.340	1.329	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1ccc2c(c1)CCO2	814951827	XVXBXSTXIVBUOH-UHFFFAOYSA-N	312.325	1.856	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCC2(CCCC2)CC1	811641473	DQMFYTISWIOUDJ-NSHDSACASA-N	315.439	1.531	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@H]1COCCN1CC(F)(F)F	816628451	WYBYTPXDDBLIFI-SSDOTTSWSA-N	323.142	1.512	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H]2CCCS2)o1	820201911	CCOOHYWCHBDOBM-SSDOTTSWSA-N	323.382	1.317	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CC[C@@H](N3CCCCC3)C2)cn1	491053945	ZOSXYLRHFDISNV-HTRKUNOGSA-N	313.405	1.414	50	20	DDGD	
CCn1cccc(CNC(=O)NNC(=O)OC(C)(C)C)c1=O	496008959	WNQVHWBNOAALKL-UHFFFAOYSA-N	310.354	1.107	50	20	DDGD	
CN1CCC[C@@H]2CN(C(=O)/C(C#N)=C\c3cnn(C)c3)CC[C@@H]21	491082753	JWTOVHFXDLMECY-KPBOLMEKSA-N	313.405	1.270	50	20	DDGD	
O=C(C[C@H]1CCS(=O)(=O)C1)NNc1ccc(F)c(F)c1F	728717336	QKUPSMLVFNCBJI-SSDOTTSWSA-N	322.308	1.372	50	20	DDGD	
CN1C[C@@H]2CCCN(C(=O)/C(C#N)=C\c3ccc(O)cc3)[C@@H]2C1	491102966	JWDLYMKQKRAKAT-YLINASNASA-N	311.385	1.852	50	20	DDGD	
CN(NC(=O)[C@@H]1COc2ccccc2O1)C(=O)OC(C)(C)C	495933999	WEFURWXWUONSAK-LBPRGKRZSA-N	308.334	1.725	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCCOC(=O)C1CC1	491101236	DHAVONUJYXCBPB-UKTHLTGXSA-N	302.305	1.802	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCC(C)(C)C(=O)O)c1ccccc1	828587629	VQVGHWJSTWMCLO-LBPRGKRZSA-N	321.377	1.621	50	20	DDGD	
CC(=O)N1CCC(NC(=O)/C(C#N)=C\c2ccc(O)cc2)CC1	491129928	HZBVUZUADFLUGG-UVTDQMKNSA-N	313.357	1.426	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccc3nc(O)oc3c2)c1	728825471	DQCHEROEVGXZSW-UHFFFAOYSA-N	322.280	1.480	50	20	DDGD	
Cc1cc(CCNC(=O)c2cccc(B(O)O)c2)c(C)s1	584944844	CUPDMVMJRACURE-UHFFFAOYSA-N	303.192	1.017	50	20	DDGD	
Cc1sc(NC(=O)COc2ccc(B(O)O)cc2)c(C)c1C	584909352	KJEATYDGMYLAAE-UHFFFAOYSA-N	319.191	1.371	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	491176793	RTZHSXOPZLJHSL-AKXCLDFRSA-N	310.357	1.572	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc(OC(C)C)c(C)c1	495448438	OEVYDSMACALJOU-UHFFFAOYSA-N	323.349	1.498	50	20	DDGD	
CCO[C@@H]1C[C@@H](N(C)C(=O)/C(C#N)=C\c2cnn(C)c2)C1(C)C	491164169	ZNCVXWPRTYWERR-KWLXYHDNSA-N	316.405	1.989	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1ccc(Cl)c(Cl)c1	822332440	LBXAUXFNBLYEFQ-UHFFFAOYSA-N	320.176	1.860	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CCCc3sccc32)nc(N)n1	828372423	YBUABZOURSRNNC-JTQLQIEISA-N	303.391	1.992	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCCc3ccc(F)cc32)c(F)c1	585039176	OUPHAMKMLOVCGR-KRWDZBQOSA-N	317.144	1.812	50	20	DDGD	
CO[C@]1(CNC(=O)/C(C#N)=C/c2ccc(F)cc2)CCOC1	490881625	YQZHELIIKIIMFW-OIQJVACTSA-N	304.321	1.654	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2nccc3sccc23)c1[N+](=O)[O-]	734247789	BZNWVUMCHBZJNX-UHFFFAOYSA-N	318.318	1.993	50	20	DDGD	
O=C(CN1CSCCSC1)NNc1ccnc(F)c1	907277705	VANSEXACUZUAAM-UHFFFAOYSA-N	302.400	1.361	50	20	DDGD	
CC[C@@H](Oc1ccccc1Cl)C(=O)N1CC[C@@H](B(O)O)C1	585071123	MYFQVJIXDQFEGE-ZYHUDNBSSA-N	311.574	1.573	50	20	DDGD	
OB(O)c1cccc(-c2noc(C3C[C@@H]4[C@@H](C3)C4(F)F)n2)c1	585051876	GFYYXIQSAMYBFH-GHMZBOCLSA-N	306.077	1.175	50	20	DDGD	
CCn1cc(C=NNC(=O)CSc2ccccc2OC)nn1	901204506	FSCQDDXDKUJSDD-UHFFFAOYSA-N	319.390	1.549	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)O)c2)cc1	739101449	IQPMMEVOEWWTKT-UHFFFAOYSA-N	324.296	1.723	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1CCC[C@@H]1C1CCCC1	584933702	JSZIFCLWRRWPMQ-OAHLLOKOSA-N	305.158	1.300	50	20	DDGD	
CCn1cncc1C=NNC(=O)CCNC(=O)OC(C)(C)C	496370226	QPGUKYJBZMXKAO-UHFFFAOYSA-N	309.370	1.268	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCCCC2)c1ncccn1	735840688	MVPJGFQTVOFBEQ-UHFFFAOYSA-N	316.386	1.882	50	20	DDGD	
C[C@@H]1CCC[C@H](CNC(=O)c2cc(B(O)O)ccc2F)[C@@H]1C	584981926	BPNIPJKTGLQUIB-IJLUTSLNSA-N	307.174	1.308	50	20	DDGD	
CN(CC1(O)CCOCC1)C(=O)[C@@]1(C)C[C@@H]1Br	907595138	NRWLFNDPZYFMJU-ONGXEEELSA-N	306.200	1.160	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)c2ccccc21	905333136	ZKSSSABTQHZCJA-VCTAVGKDSA-N	311.341	1.164	50	20	DDGD	
CON1CCC(=NNC(=O)Nc2ccc(N(C)C)cc2)CC1	834961771	JYBSNOKYRSUJHF-UHFFFAOYSA-N	305.382	1.887	50	20	DDGD	
Cc1cc(NNC(=O)c2cn(C)nc2-c2ccncc2)nc(C)n1	736718538	MHHQCPBCSGYELX-UHFFFAOYSA-N	323.360	1.646	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1N	834985931	QECDJJCAJLGDCX-ZDUSSCGKSA-N	306.322	1.586	50	20	DDGD	
C[C@@]1(C(=O)Nc2ccc(CC(N)=O)cc2)C[C@H]1Br	906084033	VUBGRXGAGSDDCM-ZWNOBZJWSA-N	311.179	1.826	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)COc1cccnc1)c1ccccc1	732132260	FKIFJMBKDKJVTG-OAHLLOKOSA-N	313.357	1.802	50	20	DDGD	
CO[C@@H]1COC[C@@H]1NC(=O)NNc1ccc(Cl)c(F)c1	838778288	LCPULZMBMKRTFV-WDEREUQCSA-N	303.721	1.519	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)Cn1ccc2ccccc21	834956280	NYMFKDZCPLFNAO-UHFFFAOYSA-N	310.361	1.711	50	20	DDGD	
N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccccc1B(O)O	585048777	VXJCSESVQPHHSY-SFHVURJKSA-N	306.174	1.405	50	20	DDGD	
CC(C)(C)C(C)(C)CNC(=O)NNC(=O)N=c1cc[nH]cc1	836470635	CUEGBQNGYTUWRH-UHFFFAOYSA-N	307.398	1.912	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2cc(Br)c[nH]2)CC1	834972189	FYYKPJNJJKDEEB-UHFFFAOYSA-N	314.187	1.068	50	20	DDGD	
CC(=NNC(=O)c1cc(Br)c[nH]1)c1cnccn1	734747114	YBAVHPJNOGYODP-UHFFFAOYSA-N	308.139	1.721	50	20	DDGD	
OB(O)c1ccc(CN[C@H](c2ccc(F)c(Cl)c2)C2CC2)o1	585043787	RKZWKQWHHVQLKP-HNNXBMFYSA-N	323.560	1.993	50	20	DDGD	
O=S(=O)(CCl)NCc1ccc(N2CCSCC2)cc1	830058042	YIOGEYMYTZPIEX-UHFFFAOYSA-N	320.867	1.856	50	20	DDGD	
COc1cc(OC)cc([C@H](NNC(=O)CCC(C)C)C(=O)O)c1	832067973	UMMFSFUKERPZQM-HNNXBMFYSA-N	324.377	1.887	50	20	DDGD	
O=C(CN1CSCCSC1)NNc1ncccc1F	908126215	IQNLKRCWSCACGJ-UHFFFAOYSA-N	302.400	1.361	50	20	DDGD	
CC(C)(C)OC(=O)[C@]1(C(=O)NNc2ncc(F)cn2)CC1(C)C	831345948	FGJTUWRQLUFOEV-OAHLLOKOSA-N	324.356	1.817	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCc2ccccc2O)cn1	730034526	YDGLUYSBLRDTTO-UHFFFAOYSA-N	315.329	1.190	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2ccc(Cl)c(F)c2)CCC(=O)N1	838733423	JETRAJSQXKENMI-ZDUSSCGKSA-N	314.748	1.774	50	20	DDGD	
CCO[C@@H]1COC[C@H]1NC(=O)NNc1ccc(Cl)c(F)c1	838718861	GKZGFXHOIZENGG-VXGBXAGGSA-N	317.748	1.909	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@]1(C)CCCCO1	837309726	DKMCIBDPDQPXHQ-BZNIZROVSA-N	324.352	1.700	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCC[C@H](C(C)(C)O)C2)cn1	832453284	JDHOGVIUXVSXSS-GUNGLEHYSA-N	302.378	1.337	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cn2cc(Cl)cc(Cl)c2n1	910150651	UXGFTQHNWDRLAS-ZETCQYMHSA-N	317.176	1.599	50	20	DDGD	
O=C(NNc1c(F)cccc1F)c1ccc(-n2cncn2)nc1	735698575	RXCPZGJCJFLKHE-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
CC1CCN(CCCNC(=O)NNC(=O)CC(F)(F)F)CC1	918058501	PPDWQRNAOBEIRZ-UHFFFAOYSA-N	324.347	1.391	50	20	DDGD	
CC[C@@H](C(=O)NNc1cccc(C(=O)O)c1)N1CCCC1=O	833635826	AUUDIXJLXHRAFI-LBPRGKRZSA-N	305.334	1.229	50	20	DDGD	
C[C@@H]1CC[C@@H](CNC(=O)NNc2ccc3c(=O)[nH]ccc3c2)O1	838738925	BWNYUCRZYNNSQI-MFKMUULPSA-N	316.361	1.722	50	20	DDGD	
Cc1ccc(F)c(CC(=O)NNC(=O)NCC(F)(F)F)c1	831754385	MDURRQOIQQMJKD-UHFFFAOYSA-N	307.247	1.569	50	20	DDGD	
O=C(CCn1cc(Cl)cn1)NNC(=O)c1ccccc1O	917496314	BALNEAOFNCIZAE-UHFFFAOYSA-N	308.725	1.093	50	20	DDGD	
C=C[C@@H]1OCCC[C@H]1NC(=O)NNC(=O)Cc1ccc(F)cc1	836615865	WSYLFSWPAOZBHR-KGLIPLIRSA-N	321.352	1.432	50	20	DDGD	
Cn1c(CC(=O)NN=Cc2csnn2)nc2ccccc21	915946631	PWUWHWYVTKXWJD-UHFFFAOYSA-N	300.347	1.118	50	20	DDGD	
Cn1c(O)nc2cc(C(=O)NNC(=O)NC3CCCC3)ccc21	744052878	WSMLUKMSZMWLQK-UHFFFAOYSA-N	317.349	1.166	50	20	DDGD	
C[C@H](C(=O)NNc1ccnc(N(C)C)n1)N1CCCCCC1	743485309	YXMAKMFXCUFQKY-GFCCVEGCSA-N	306.414	1.250	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCc1ccc2c(c1)OCO2	915932733	YELMMYXYVBNCSE-UHFFFAOYSA-N	307.350	1.334	50	20	DDGD	
CCCC[C@H](CN)NC(=O)NNc1cccc(C(=O)OC)c1	841959672	ZLKDXOODENXZRU-CYBMUJFWSA-N	308.382	1.617	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2CCn3ccnc3C2)cccc1[N+](=O)[O-]	749289301	OMZYSIHHNCZHHM-LLVKDONJSA-N	315.333	1.805	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C/C=C/c1ccccc1[N+](=O)[O-]	744812233	HVHJHETUKMSTOK-NCZJLVENSA-N	304.306	1.235	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNc2nccn(C)c2=O)cc1	747868957	GRFHYRKCZVYCHQ-UHFFFAOYSA-N	301.306	1.132	50	20	DDGD	
C[C@@H]1CN(C[C@@H](C)C(=O)NN=Cc2ccccn2)C[C@@H](C)O1	916372042	NLCRHLIQMKZDKG-MGPQQGTHSA-N	304.394	1.277	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1	840292339	VVXCBPNTHATIAC-NWDGAFQWSA-N	306.322	1.439	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN[C@H](C(=O)NC1CC1)c1ccccc1	843288740	GFXYSAFUAAUAGJ-CQDKDKBSSA-N	317.389	1.052	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccn(-c2cc(F)cc(F)c2)n1	911445200	OUXJNTKFBUNYBN-VIFPVBQESA-N	310.304	1.108	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)[C@H]1Cc2ccccc21	742061506	ALVLAWUNFHCKPC-ZDUSSCGKSA-N	307.313	1.915	50	20	DDGD	
O=C(NNc1cc(F)ccc1Br)[C@]1(O)CCOC1	840530960	DCAHPMBGONNQIZ-NSHDSACASA-N	319.130	1.183	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NNc1cccc(C#N)c1	749345318	YCVJECJJVZUFIY-UHFFFAOYSA-N	319.365	1.709	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCC2(C#N)CCC2)cc1	845263928	SQLUCRSARHNKDT-UHFFFAOYSA-N	316.361	1.722	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@H](CC(C)C)OC	842225410	UZJMLWLAHHGVOW-AWEZNQCLSA-N	323.393	1.316	50	20	DDGD	
CCS(=O)(=O)C[C@H](C)NC(=O)NNc1cc(F)ccc1F	918622609	XEAJWWLCPBDVOA-QMMMGPOBSA-N	321.349	1.414	50	20	DDGD	
O=C(NNC(=O)c1csc2c1CCCC2)c1ncccn1	841444206	DXDAIZMLTCXRNM-UHFFFAOYSA-N	302.359	1.492	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)[C@H](C)NC(=O)OC(C)(C)C	842556487	BGMDZQNKUXRWEU-MVWJERBFSA-N	313.398	1.817	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@H]1CCC(=O)C1	843869327	OAPDKJWTNFKANO-UWVGGRQHSA-N	324.764	1.624	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N[C@@H]1CC[C@H](CN)C1)c1ccccc1	842011771	UYRRQMBOKUTMFP-GXTWGEPZSA-N	318.421	1.422	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(OCC#N)cc1	748260524	VIZHMVXCJIKLGC-GFCCVEGCSA-N	305.334	1.091	50	20	DDGD	
C[C@H]1CC(=NNC(=O)Nc2ccc(C(=O)O)cc2)CCN1C	743445004	ZEVNKIGFUJMOGD-JTQLQIEISA-N	304.350	1.976	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ncccn2)cnn1CCC(C)C	841350667	QGAATFHBPGTTOK-UHFFFAOYSA-N	316.365	1.102	50	20	DDGD	
CCN1CC[C@@H](NC(=O)NNc2ccc(Cl)cc2C)C1=O	922384098	QBXBTIQJMHFFTM-GFCCVEGCSA-N	310.785	1.895	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)Nc2cccc(NC(=O)NN(C)C)c2)CO1	843870061	MPOCCISZHROJHF-GHMZBOCLSA-N	306.366	1.648	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@H](c1ccccn1)C1CC1	925563688	DLUVKUSVGRZGMC-KBPBESRZSA-N	318.377	1.432	50	20	DDGD	
O=C(NCc1nc2c(s1)CCCC2)NNc1ncccn1	926443064	MQLTVHCMTHIHNM-UHFFFAOYSA-N	304.379	1.638	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@H]2CCCOC2)C[C@H]1Br	856826186	TXXCVCXRTVCAEM-CKYFFXLPSA-N	305.216	1.886	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@@H]1CSCCS1)C1CC1	855099342	WSVGPDDEBSCKNH-APPZFPTMSA-N	305.494	1.129	50	20	DDGD	
O=C1CCCCC[C@H](C(=O)NNC(=O)c2cccc(F)n2)C1	856426695	FGAWIZSTVRPJKV-JTQLQIEISA-N	307.325	1.521	50	20	DDGD	
CC(C)Oc1cccc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1	921258499	IKAKYSWIYHQBFX-CYBMUJFWSA-N	324.402	1.359	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)C1(n2cnnn2)CCCCC1	855461582	DNIALOQAAJILEP-UHFFFAOYSA-N	321.772	1.524	50	20	DDGD	
Cc1ccccc1COCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	857294116	ADGQGEXHRFCIJK-OCCSQVGLSA-N	306.362	1.084	50	20	DDGD	
O=C(NN=Cc1cc2ccncc2s1)[C@H]1CCS(=O)(=O)C1	853285470	VWXPEKRDKOEWFM-JTQLQIEISA-N	323.399	1.181	50	20	DDGD	
Cc1ccc(S(=O)(=O)NC[C@@]2(C)C[C@H]2Br)cn1	856754370	HKOFHYFCVVJTOF-GHMZBOCLSA-N	319.224	1.842	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc(SC)o1	854281389	GHMUPJBNVRVOEG-UHFFFAOYSA-N	317.436	1.489	50	20	DDGD	
Cc1ncc([N+](=O)[O-])cc1C(=O)NNc1ncccc1[N+](=O)[O-]	759303131	GDTYWDRIDSNGSG-UHFFFAOYSA-N	318.249	1.358	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Nc2ccc(C3CC3)nn2)c1	757700410	QFRQFDSFHSLBQW-UHFFFAOYSA-N	322.328	1.692	50	20	DDGD	
C[C@]1(CNC(=O)CCN2CCOC2=O)C[C@H]1Br	857401427	LVITUVPSOACTTI-LDYMZIIASA-N	305.172	1.118	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCC2(N(C)C)CC2)cc1	923014654	GLDCHZXADLSROJ-UHFFFAOYSA-N	304.394	1.287	50	20	DDGD	
CCN1CCC[C@@H](NC(=O)/C(C#N)=C/c2ccc(F)cc2)C1=O	928875141	PJISGHVWWMIALF-NRMKIYEFSA-N	315.348	1.860	50	20	DDGD	
CC1CCC(OCC(=O)NNC(=O)OCC(F)(F)F)CC1	856020328	CJPOETBXBQIQCW-UHFFFAOYSA-N	312.288	1.901	50	20	DDGD	
COc1cccc([C@H](OC)C(=O)NNc2cc(C)ncn2)c1	857127324	PKPNKGRATLYLOU-AWEZNQCLSA-N	302.334	1.624	50	20	DDGD	
N#Cc1cc(F)c(C(=O)NNC(=O)c2ccccn2)c(F)c1	755035058	ZHQOYMXEZDIHRR-UHFFFAOYSA-N	302.240	1.306	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)C[C@@H]1Br	856718100	KFHMYHVEUZGXPU-KEPMVKOISA-N	316.195	1.943	50	20	DDGD	
Cc1ccc(F)c2c1NC(=O)C2=NNC(=O)NCC(F)(F)F	750935219	YUSVWNVSFRGKAO-UHFFFAOYSA-N	318.230	1.652	50	20	DDGD	
C=C[C@](C)(O)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	854249689	IJEZRTNDYYMXFN-HNNXBMFYSA-N	308.403	1.715	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1cccn1Cc1ccccc1	755285277	LRCXOVFDNQLBHR-UHFFFAOYSA-N	323.356	1.263	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccc(C(F)F)nc1	855092530	IIUOXQHANGPCEF-UHFFFAOYSA-N	314.361	1.928	50	20	DDGD	
CC(C)OC1CCN(S(=O)(=O)CBr)CC1	695074301	RGJLJSGGAVQPRF-UHFFFAOYSA-N	300.218	1.558	50	20	DDGD	
C[C@]1(CNC(=O)CN2CCSC2=O)C[C@@H]1Br	857403028	HTCXKRFVNMFFNU-OIBJUYFYSA-N	307.213	1.445	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)s1)[C@@H]1CN2CCC[C@@H]2CO1	853388200	FMAMQHUUUGXKKV-KOLCDFICSA-N	313.810	1.715	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1c(F)cc(C)cc1F	850319890	QSXQCTIJIHHUCW-MRVPVSSYSA-N	314.288	1.376	50	20	DDGD	
C[C@@]1(CNC(=O)CN2CCCCCC2=O)C[C@@H]1Br	857405249	YVKZLGUTMSTGIY-GWCFXTLKSA-N	317.227	1.679	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C(C)C[C@H]1CCOC1	751517651	YPVZHGJUBBHQLE-CYBMUJFWSA-N	306.362	1.993	50	20	DDGD	
CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)NNc1ccc(F)cn1	852691714	KNNLTALTTOMFQN-NHYWBVRUSA-N	324.356	1.969	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CNC1(C2CC2)CC1	754359028	QSHWYKCDGKFGSH-UHFFFAOYSA-N	301.390	1.217	50	20	DDGD	
CCn1nc(C(=O)NN=Cc2[nH]cnc2C)c2ccccc2c1=O	755541390	IUTOMYJTIHGMBL-UHFFFAOYSA-N	324.344	1.212	50	20	DDGD	
COCCCn1nccc1C=NNC(=O)c1cccc(F)n1	853444765	RTSSYAVKGGNLPQ-UHFFFAOYSA-N	305.313	1.218	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)c2cccc(N(C)C)c2)[nH]1	856722425	YPGPNEYSXKLXEV-UHFFFAOYSA-N	301.350	1.167	50	20	DDGD	
COc1ccc2c(c1)CC[C@H](NCc1ccc(B(O)O)cc1)C2	863891417	PXZHISUHLVULBX-KRWDZBQOSA-N	311.190	1.022	50	20	DDGD	
COc1ccc(NNC(=O)[C@]2(C3CCCC3)CCNC2=O)nc1	861176765	SBURMFFNHZKNCK-INIZCTEOSA-N	318.377	1.230	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C[C@@H]2CCc3ccccc32)n[nH]1	869013921	KGSFIQNUZCTVOR-ZDUSSCGKSA-N	312.373	1.528	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)C1SCCS1	761154058	APNFAOWJEKLCLA-UHFFFAOYSA-N	321.427	1.595	50	20	DDGD	
O=C(NNC(=O)c1ncc2n1CCCC2)c1cccc(Cl)c1	864473750	FVDNKIVLRBGHMM-UHFFFAOYSA-N	318.764	1.948	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccc(Cl)cc1	862452572	MASXOTDZKJLIGN-LLVKDONJSA-N	323.780	1.044	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C)nn1C(C)(C)C	764082425	CWDPKLUIOAUTRI-SECBINFHSA-N	323.397	1.079	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)/C=C/CN1CCOCC1	865101321	WTNGDPZZGVVBML-NSCUHMNNSA-N	322.317	1.397	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNc1ccc(OC)cc1[N+](=O)[O-]	767690136	HYBXBRYMPGEKAZ-CMDGGOBGSA-N	306.278	1.490	50	20	DDGD	
CC(=NNC(=O)CS(C)(=O)=O)c1oc2ccccc2c1C	863188916	RYNOFEUDEGLZNW-UHFFFAOYSA-N	308.359	1.626	50	20	DDGD	
O=C(NNC(=O)c1cc2c(cc1O)OCO2)NC1CCCC1	769725505	DLRGAYRRUJPZSP-UHFFFAOYSA-N	307.306	1.008	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1ncc(F)cc1F	760315966	TWTSCNQGEYMQQP-UHFFFAOYSA-N	318.243	1.562	50	20	DDGD	
CCn1cc(C(=O)C(=O)NNc2nccc3sccc23)cn1	760151571	FWTNTHBIQQQUGK-UHFFFAOYSA-N	315.358	1.839	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc3sccc3c2)cn1	760548057	XHYOPGPDQDGMAU-UHFFFAOYSA-N	300.343	1.710	50	20	DDGD	
O=C(CN1CCC[C@@H]1CCC1CCCC1)NNC(=O)C1CC1	767902051	LBWPKGHQSNOFHU-OAHLLOKOSA-N	307.438	1.979	50	20	DDGD	
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(F)cn1	874649201	KBIJZEUNSWDVSH-SNVBAGLBSA-N	312.345	1.967	50	20	DDGD	
CCOc1ccc(NCc2ccc(B(O)O)cc2)cc1OCC	876819804	DYMJMVVCYLRFLC-UHFFFAOYSA-N	315.178	1.776	50	20	DDGD	
COCc1ccc(C=NNC(=O)Cc2cn3ccccc3n2)o1	764697360	BRIOERGMHKVINE-UHFFFAOYSA-N	312.329	1.767	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN[C@H](c2ccc(OC)cc2)C1	870142506	KZOOJSZFBPWDEV-GRNBYLDVSA-N	315.373	1.612	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@H]1C(=O)O)c1cc2c(s1)CCC2	872832141	VFWBVSFJBSHJAL-NXEZZACHSA-N	322.386	1.499	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H](C)c2noc(C)n2)cc1	1117480585	OCVLHYNDEXYYHT-SECBINFHSA-N	317.349	1.646	50	20	DDGD	
O=C(NNC(=S)Nc1ccc(F)cc1F)[C@H]1CCCCO1	772219074	PGPSXYOILFZVED-LLVKDONJSA-N	315.345	1.852	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NOC2CCCC2)cc1	775489147	OGOCIGVWPQMQSK-UHFFFAOYSA-N	307.350	1.578	50	20	DDGD	
CC[C@@H](CO)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	779814845	FNRFVTNEVZORFK-QMMMGPOBSA-N	322.333	1.145	50	20	DDGD	
COCOc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	879912244	BFUSPGHSINCZBD-ZWNOBZJWSA-N	323.349	1.247	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cc(Cl)no2)n1	879172757	RGHUGMIOGJWBLP-UHFFFAOYSA-N	310.745	1.721	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2CC[C@@H]2C(N)=O)cc1C	873762036	NRBYGZFBLSXDMH-RYUDHWBXSA-N	320.418	1.133	50	20	DDGD	
CO[C@@H]1CCC[C@H]1CNC(=O)NNC(=O)c1ccccc1F	774786018	IBTDWIQHNJHKEO-GXFFZTMASA-N	309.341	1.585	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cc3c(cc2C)OCO3)n1	775722952	PKYJWZRPSRSJFV-UHFFFAOYSA-N	317.305	1.671	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@@H](CO)CC2CC2)cc(C#N)n1C	770988490	SOYXVTDQFFVBGG-HWIKDYBBSA-N	312.373	1.389	50	20	DDGD	
CCOc1ccccc1C(=O)O[C@H](C)C(=O)NNC(=O)CC	771892906	ZMCYWHSDBIPZRS-SNVBAGLBSA-N	308.334	1.188	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNc1ncncc1Cl	879662016	ODYYIQNZTBPYAN-WRWORJQWSA-N	306.757	1.662	50	20	DDGD	
CCNC(=O)NNC(=O)C1=C(c2ccccc2)SCCO1	874193834	NYRRLGMAHITMKM-UHFFFAOYSA-N	307.375	1.469	50	20	DDGD	
CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)NNC(=O)c1cccnn1)C2	883130504	HUUPNNSFICJANA-IETSOEAISA-N	317.393	1.635	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1CCO[C@@H](C)C1	776305334	GLCAPMXQHCOVJF-WCQYABFASA-N	306.362	1.200	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](c1ccccc1)C1CC1	772229881	DKJFBIBGVUMULK-NHYWBVRUSA-N	318.373	1.669	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@H]1C[C@H]1c1cccc(F)c1	883224547	OALGHRCCUQZCDA-KBPBESRZSA-N	321.352	1.439	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2n[nH]c3c2CCCCC3)n1	789906606	ISLLOULRCVZTKY-UHFFFAOYSA-N	315.381	1.292	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)/C=C/c1ccc[nH]1	782333323	UMSSYCGFGIPUBF-MLRMMBSGSA-N	307.350	1.153	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F)C1CCCC1	785408181	FUYGENDRLRFXSX-ZNSHCXBVSA-N	320.311	1.680	50	20	DDGD	
CC[S@](=O)[C@@H]1CCC[C@H](NS(=O)(=O)CCCCl)C1	881973958	WJYLXMSZOVUUBK-RVPKQNPDSA-N	315.888	1.615	50	20	DDGD	
Cc1cccc(C(=O)NNc2ccccc2S(N)(=O)=O)c1C	788223815	OCVKLEBNJPPKIN-UHFFFAOYSA-N	319.386	1.708	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)CS(=O)(=O)C(C)(C)C	788193838	YMIJZRPISRORQQ-UHFFFAOYSA-N	318.370	1.491	50	20	DDGD	
Cc1cc(Cl)c(C(=O)NNc2nnc(C)c(O)n2)cc1C	781415444	IWLGUQJCEUAFCA-UHFFFAOYSA-N	307.741	1.913	50	20	DDGD	
CCC[C@@H](CCCS(C)(=O)=O)C(=O)NNc1ncccn1	789890756	LHOCJWFKJTVTPF-NSHDSACASA-N	314.411	1.161	50	20	DDGD	
O=C(/C=C\Sc1ccccc1)NNC(=O)C1CCOCC1	894097241	HFOZYCYZPDMSFR-FLIBITNWSA-N	306.387	1.866	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNc1ccnc(Br)c1	787275040	LEWLDCNWVWJVOQ-UHFFFAOYSA-N	324.182	1.870	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cccc(C#N)c2)c(O)c1	786901256	PAMLBIOAVJHGCT-UHFFFAOYSA-N	309.325	1.901	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@H](C)[C@H](O)CC)cc1OC	899958537	VMAYFUMGRJRANT-ZYHUDNBSSA-N	324.377	1.262	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc(F)c(O)c(F)c1	899996499	VYYYFRZQUPYGOP-UHFFFAOYSA-N	303.334	1.578	50	20	DDGD	
CC1(C)CC[C@@H](C(=O)NNc2nccc(N3CCOCC3)n2)C1	782125602	YCWVQWFQJYKQFW-GFCCVEGCSA-N	319.409	1.583	50	20	DDGD	
C=C[C@@H](CC)CC(=O)NNC(=O)CNc1ccc(OC)cc1	891957653	HFHGCPONPHRKBW-LBPRGKRZSA-N	305.378	1.857	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C[C@](C)(O)c1ccccc1	899996184	PPXHQHMTCLHZRT-HNNXBMFYSA-N	309.435	1.578	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)NCC(F)(F)F)cn1C	790157595	MWZKRJYFBDTSLM-UHFFFAOYSA-N	306.244	1.007	50	20	DDGD	
COc1cncc(C(=O)NNc2oc(C(C)C)nc2C#N)n1	790534462	PVORCWQCKIZRFS-UHFFFAOYSA-N	302.294	1.225	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H](c1ccncc1)C1CC1	899002598	UDJSBXXRLNRJRW-LEWSCRJBSA-N	318.377	1.288	50	20	DDGD	
COc1ccc(NNC(=O)Cc2ccc([S@@](C)=O)cc2)nc1	797997520	MVSKAJNXPMQKSI-JOCHJYFZSA-N	319.386	1.513	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@@H]2Cc3ccc(F)cc32)n1	793799322	FOMSKNZHKHKLCK-SECBINFHSA-N	307.716	1.634	50	20	DDGD	
CCS(=O)(=O)c1ccccc1C(=O)NNc1ncccc1C	791216167	JJRYBXUHFMXERA-UHFFFAOYSA-N	319.386	1.941	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@H]1[C@H]1CCCO1	792920948	HHFPMMXEDNJRGA-MELADBBJSA-N	311.426	1.212	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)C[C@H]1CCC(=O)[C@H]1C	793773343	RXRIQBGWCAQZKM-WDEREUQCSA-N	304.346	1.922	50	20	DDGD	
COCC(=O)NNC(=O)Nc1nc2cc(F)c(C)cc2s1	797673703	NQOOXHWTGVZFES-UHFFFAOYSA-N	312.326	1.543	50	20	DDGD	
C=C(CBr)COC(=O)c1c(OC)ncnc1OC	795497533	MHQVICPWAIXWQD-UHFFFAOYSA-N	317.139	1.602	50	20	DDGD	
CCOC[C@@H](NCC(=O)NNC(=O)c1cccc(C)c1)C(C)C	794602597	WUKAEWFZBADNNC-OAHLLOKOSA-N	321.421	1.407	50	20	DDGD	
CS(=O)(=O)c1ccc(/C=C(/C#N)C(=O)[C@@H]2CCCOC2)cc1	794885558	YPGDWNDEHGRCDQ-CKXDQPNJSA-N	319.382	1.993	50	20	DDGD	
CCn1ncc2cc(C(=O)NNc3ncc(F)cn3)c(C)nc21	799713396	WCNUQJOOCWEJRJ-UHFFFAOYSA-N	315.312	1.446	50	20	DDGD	
O=C(NNc1ncccc1F)c1cc2c(nc1O)CCCC2=O	1322800716	ZERAWRWQEZKBSC-UHFFFAOYSA-N	316.292	1.597	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1	1324487847	KWPAUHZXLRSKKJ-GARJFASQSA-N	303.497	1.917	50	20	DDGD	
Cn1ccc(NNC(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1	1328591592	LBJFMODDDPXZKW-AOOOYVTPSA-N	309.370	1.167	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1cnn(C2CC2)c1	1331574520	MUGYPLACKLOEJI-UHFFFAOYSA-N	302.309	1.361	50	20	DDGD	
O=C(NN=Cc1cnc([C@@H]2CCCO2)s1)c1cccnn1	1330908336	NOTNELSAYZGMFI-NSHDSACASA-N	303.347	1.549	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc2c(nc1O)CCC(C)(C)C2	1332174212	BFIGSWAYVTYQPP-JTQLQIEISA-N	307.394	1.260	50	20	DDGD	
CCC[C@@H]1CCC[C@@H]1C(=O)NNC(=O)C(=O)NC(CC)CC	1261259353	FKTJMMWYBNCOFA-YPMHNXCESA-N	311.426	1.655	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@@H]1Cc1ccccc1)c1cn[nH]c1	1334930578	MCCHACHZEXLOAL-CQSZACIVSA-N	313.361	1.471	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H](C)[C@H]1CCC(=O)N1	1261818906	KLKMMTWBNNMYNK-JOYOIKCWSA-N	306.322	1.261	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@H]2CC[C@@H](C)O2)cc1	1344569163	VJGGSKVUKXBADV-ZWNOBZJWSA-N	307.350	1.207	50	20	DDGD	
CC(C)c1noc(CCNC(=O)NNc2ncccc2F)n1	1346167831	ITGMIUGTQDQPED-UHFFFAOYSA-N	308.317	1.596	50	20	DDGD	
COCCN1CCCN(C(=O)C2CCC(Cl)CC2)CC1	1520825509	WQGDHVPPNUADKA-UHFFFAOYSA-N	302.846	1.965	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)Nc1ccc[n+]([O-])c1	1601560133	QTYZFVMDCWMXBV-UHFFFAOYSA-N	306.253	1.306	50	20	DDGD	
O=C(/C=C/c1ccc(C(=O)O)o1)NNc1nc2ccccn2n1	1608286354	RSZKPVJSIYCIPJ-FNORWQNLSA-N	313.273	1.177	50	20	DDGD	
O=C(NNc1ncccn1)Nc1ccc(C(=O)O)c(Cl)c1	1601561822	CBGUHCKALPEMIS-UHFFFAOYSA-N	307.697	1.977	50	20	DDGD	
O=C(NNc1ncccc1C(F)(F)F)[C@H]1CC[C@H]1C(=O)O	1601561979	LZMWWUNVLUKNQZ-NKWVEPMBSA-N	303.240	1.654	50	20	DDGD	
COc1ccsc1C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1605339799	MVJQRTMEMAEXLN-UHFFFAOYSA-N	317.334	1.089	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2C[C@H]3C[C@H](C(=O)O)[C@H]2C3)n1	1600178950	NSOCBPQLCSSPLN-UTUOFQBUSA-N	304.350	1.103	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H](O)Cc2ccccc2)c(F)c1	1602385212	RXHDKJMRKXFURL-AWEZNQCLSA-N	318.304	1.571	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc(F)c(C(=O)O)c1F	1603760921	AZPDJMLEENWXPR-UHFFFAOYSA-N	315.276	1.862	50	20	DDGD	
C[C@H](OCc1ccncc1)C(=O)NNc1ccc(C(=O)O)cn1	1604425375	KRDKSSTZVKPJPI-JTQLQIEISA-N	316.317	1.223	50	20	DDGD	
O=C(O)Cc1ccccc1NC(=O)NNc1cccc(F)n1	1611513889	DYCVDSRDZTWVKI-UHFFFAOYSA-N	304.281	1.996	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCO[C@@H]1c1nccn1C)c1cn[nH]c1	1549311883	USAGWSCHSRLKSM-STQMWFEESA-N	316.365	1.151	50	20	DDGD	
Cc1nn(C(C)C)cc1C=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549322043	WWBXWDGENVRYOW-HUUCEWRRSA-N	319.409	1.086	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1cc(N)ccc1F	1549320196	KYRVDGPZOGWWNK-IUODEOHRSA-N	320.368	1.111	50	20	DDGD	
Cc1coc(C=NNC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)c1	1550191890	IXQHNPZYEDZNFO-UKRRQHHQSA-N	316.361	1.940	50	20	DDGD	
CCOCc1nc(C)cc(NNC(=O)N[C@H]2CC[C@@H](CN)C2)n1	1578127381	VCCDETRPQBYFNN-NEPJUHHUSA-N	322.413	1.075	50	20	DDGD	
C[C@@H]1NCC[C@@H]1C(=O)NNC(=O)c1cc2c(s1)CCCCC2	1576885301	DDYOHKRZDIXGIL-JQWIXIFHSA-N	321.446	1.776	50	20	DDGD	
C[C@H]1Cc2cc(NC(=O)NNC(=O)C3CCNCC3)ccc2O1	1576866056	GWPJMJNZKRQETR-JTQLQIEISA-N	318.377	1.162	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cnc(C)[nH]2)C1	1841715515	YGOUASIEOVUIEG-NSHDSACASA-N	324.812	1.553	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)c1ccc(C(=O)O)nc1	1594779770	FBIJARMZNSYSKP-UHFFFAOYSA-N	311.219	1.954	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cc(C(F)F)[nH]n1	1593165008	WIAPYKBLAJTJLL-UHFFFAOYSA-N	320.263	1.284	50	20	DDGD	
COCCCC(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1841264448	BUBHHLKVGCMPKK-NSHDSACASA-N	306.765	1.151	50	20	DDGD	
CCC(=O)N1CCCC12CN(C(=O)[C@@H](Br)CC)C2	1842636168	IYBLXSTTWUUFAM-JTQLQIEISA-N	317.227	1.773	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	1590371943	MLHOLMFAMJELAQ-LBPRGKRZSA-N	320.744	1.298	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1ccon1)C2	1845164223	SSZYVGDPYJXQFI-SNVBAGLBSA-N	311.769	1.509	50	20	DDGD	
CON1CCC(C(=O)NNc2cccc(F)c2C(=O)O)CC1	1599319087	ZTOHNELFNJLFSG-UHFFFAOYSA-N	311.313	1.240	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1nc2c(s1)CC[C@H](C(=O)O)C2	1596509174	CDHIFLCZUDXXOZ-FZGDARCMSA-N	321.358	1.715	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC2CC2)cc(C)c1-c1nn[nH]n1	1591929168	MVVVJUMBUMOVEU-UHFFFAOYSA-N	314.349	1.045	50	20	DDGD	
Cn1c(C(=O)NNc2cc(Cl)ccn2)ccc1-c1nn[nH]n1	1592549574	IDJSMANVQNLNOJ-UHFFFAOYSA-N	318.728	1.011	50	20	DDGD	
COc1ncncc1NC(=O)NNc1ccc(CC(=O)O)cc1	1599738702	CXXSICQRLXPCFZ-UHFFFAOYSA-N	317.305	1.261	50	20	DDGD	
Cc1oc(C=NNC(=O)Cc2ccccc2O)cc1C(=O)O	1776094457	UGSIOFJAPVEKSI-UHFFFAOYSA-N	302.286	1.685	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=Cc1ccccc1OCC(=O)O	1776102631	UPPQLUUUNLWBDC-WCQYABFASA-N	306.318	1.025	50	20	DDGD	
CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21	1786399591	ZWBGYUVZFWZFCB-GUBZILKMSA-N	323.220	1.180	50	20	DDGD	
CCC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)=O	1795439540	SHPAHBSZGRUBPM-RNJOBUHISA-N	314.813	1.621	50	20	DDGD	
O=C(NNC(=O)c1cccnc1S)c1cccc([N+](=O)[O-])c1	14049495	WRZOFDYLHNEECH-UHFFFAOYSA-N	318.314	1.353	50	20	DDGD	
Cc1cc(C)cc(C(=O)NCC(=O)NNC(=O)OC(C)(C)C)c1	17398833	JTYNAYGMZHPHNJ-UHFFFAOYSA-N	321.377	1.589	50	20	DDGD	
Cc1ccc(C(=O)NNc2ncccc2[N+](=O)[O-])cc1[N+](=O)[O-]	153624998	LTCUZJOTLRHUKW-UHFFFAOYSA-N	317.261	1.963	50	20	DDGD	
CCOC(=O)NNC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O	52539100	WHNRJLRGDKPJDH-CQSZACIVSA-N	317.345	1.728	50	20	DDGD	
CC[C@H](OC1CCCC1)C(=O)NNc1ncnc2nc[nH]c12	173940395	KSOYXPMBCGQZDE-JTQLQIEISA-N	304.354	1.534	50	20	DDGD	
O=C(NCCOc1ccc(F)c(F)c1)NNC(=O)c1ccc[nH]1	106566306	VHNGPCMTZNBXAQ-UHFFFAOYSA-N	324.287	1.316	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Cc2ccc3ccccc3c2)cn1	53605614	BLFGDOHPIKJXPR-UHFFFAOYSA-N	308.341	1.577	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNC(=O)CNc2ccccc2)cn1	104830765	BQDFSIKFBRSIRE-UHFFFAOYSA-N	315.377	1.511	50	20	DDGD	
CC(C)C1(CNC(=O)NNC(=O)COc2ccc(F)cc2)CC1	176348509	QDALEKORCYUTOQ-UHFFFAOYSA-N	323.368	1.971	50	20	DDGD	
CC(C)CCO[C@@H](C)C(=O)NNC(=O)c1cccc(C#N)c1	103401574	CFWMXWJYGLUZAK-LBPRGKRZSA-N	303.362	1.770	50	20	DDGD	
CC(C)COCCCNC(=O)NNC(=O)c1cccc(C#N)c1	103508378	PBZKEHHPKVNJES-UHFFFAOYSA-N	318.377	1.565	50	20	DDGD	
C=CCn1c(S[C@H](C)C(=O)NNC(=O)CC)nnc1C1CC1	110103284	FOECZWIBUUZTPB-SECBINFHSA-N	323.422	1.380	50	20	DDGD	
O=C(NNC(=O)c1cccc(N2CCCC2=O)c1)c1cccnc1	20900521	OKUXJCNVZYIPNX-UHFFFAOYSA-N	324.340	1.283	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1cccnc1)c1cccc(F)c1	172978458	GSCKOMBNQOLRIX-LLVKDONJSA-N	301.321	1.714	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@H]1COc2ccccc21	113461660	RVGDVUWXEIRPOC-LBPRGKRZSA-N	305.403	1.458	50	20	DDGD	
O=C(CC[C@@H]1CCOC1)NNC(=O)c1ccc2ccccc2n1	177597984	SCLRDXVSJDOACV-GFCCVEGCSA-N	313.357	1.813	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)n1)c1cccc([N+](=O)[O-])c1	120288251	DFKVLMOKONNXBL-UHFFFAOYSA-N	320.692	1.718	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSCC(=O)c1ccccc1	121212814	GDADXWPIKYJHEX-UHFFFAOYSA-N	308.403	1.796	50	20	DDGD	
COc1cccc(CCCNC(=O)NNC(=O)[C@@H]2CCCO2)c1	67423370	KGPGHVZSLKHVBB-AWEZNQCLSA-N	321.377	1.137	50	20	DDGD	
O=C(NNc1ccncc1)Nc1cccnc1N1CCOCC1	121895154	ZRFCDMABEQSCNJ-UHFFFAOYSA-N	314.349	1.462	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@H](O)CC(C)C	305045423	AJEMVDRABUIYDL-GFCCVEGCSA-N	301.818	1.876	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1cnn(CC2CC2)c1	186296769	CQMXBGXCVQXNAE-UHFFFAOYSA-N	314.349	1.084	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)C1CCCC1	186058514	BRCDOKYXUHJQOY-UHFFFAOYSA-N	312.391	1.732	50	20	DDGD	
C[C@@](O)(CC(=O)NNc1cc(Cl)nc(N)n1)c1ccccc1	121655515	CASRAVVHWRJPHR-CQSZACIVSA-N	321.768	1.453	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CNc2ccccc2)cc1F	120928938	QTUFAMQMBRTYEI-UHFFFAOYSA-N	317.320	1.707	50	20	DDGD	
O=C(CCc1cccc([N+](=O)[O-])c1)NNc1ncc(F)cn1	122758984	VIWKCGVKZUVYIK-UHFFFAOYSA-N	305.269	1.600	50	20	DDGD	
CCCCS[C@@H](C)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	79796914	NXFUBCGAWNWYGH-NWDGAFQWSA-N	322.496	1.401	50	20	DDGD	
Cc1nn(C(F)F)c(C)c1CC(=O)NNC(=O)c1ccc[nH]1	124464215	UVZLIEKCBSANCT-UHFFFAOYSA-N	311.292	1.227	50	20	DDGD	
Cn1ccc(NC(=O)NNC(=O)c2cccc3ncccc23)n1	184696591	PWCUUMPPEMFMGY-UHFFFAOYSA-N	310.317	1.435	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1ccc([N+](=O)[O-])cc1	33346698	JPULJIXTTBXLFC-UHFFFAOYSA-N	316.273	1.068	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2cc1O)c1ccc[n+]([O-])c1	73138750	NLZGWYQHUKXWFY-UHFFFAOYSA-N	323.308	1.254	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)Cc2ccccc2O)c1	181128583	XDJLOMFYOHHEEP-UHFFFAOYSA-N	320.370	1.482	50	20	DDGD	
COc1cccc(NNC(=O)NCCCc2cnn(C)c2)n1	181169290	DJYBBNDPYIMJGU-UHFFFAOYSA-N	304.354	1.083	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCCC(=O)OC)c1ccccc1	131175684	ATABACWCYXZJME-CYBMUJFWSA-N	306.362	1.671	50	20	DDGD	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NNc1ccccn1	181188482	MXACSCKWHXSGCM-UHFFFAOYSA-N	311.345	1.334	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](C)Cc2ccc(O)cc2)o1	84433757	JFWACTBRDSGNBC-JTQLQIEISA-N	317.345	1.869	50	20	DDGD	
COC(=O)[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C(C)C	194062939	XZRDKODNGHCMLD-ICDLMJIXSA-N	302.330	1.613	50	20	DDGD	
O=C(NNc1cnccn1)[C@H]1CCCC[C@H]1C(=O)N1CCCC1	133344210	UDRJFSKLZLJFDG-QWHCGFSZSA-N	317.393	1.349	50	20	DDGD	
CC(C)Oc1cncc(C(=O)NNC(=O)c2ccncc2)c1	130745628	FHCSERKHYVQUQM-UHFFFAOYSA-N	300.318	1.339	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cccn2C(C)C)c1O	138103040	FMBWBCKJZPWEGP-UHFFFAOYSA-N	317.345	1.858	50	20	DDGD	
O=C(CC[C@H]1CCCO1)NNC(=O)c1ccc2c(c1)OCCO2	46181067	RDCDSLHAFDHEHI-GFCCVEGCSA-N	320.345	1.178	50	20	DDGD	
CCn1cc(NC(=O)NNc2ccc(Cl)nn2)ccc1=O	194749287	DKOKIBRCDNLZST-UHFFFAOYSA-N	308.729	1.460	50	20	DDGD	
CC(=O)N1CC[C@@H](NC(=O)NNc2ccc(C(C)(C)C)nn2)C1	134089740	OJGFWYKFIFZDPX-LLVKDONJSA-N	320.397	1.021	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCc1cccc(F)c1F	133998544	YTBMJUAHOZURHG-UHFFFAOYSA-N	307.300	1.697	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccc(O)c([N+](=O)[O-])c1	191930609	SRHGQXWJNRFBTO-UHFFFAOYSA-N	314.261	1.100	50	20	DDGD	
Cc1ccc(-c2c[nH]cc2C(=O)NNC(=O)C(C)(C)O)s1	192920393	RHJPPBMMAYSPNB-UHFFFAOYSA-N	307.375	1.584	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNc1ncnc2ccsc12	92503620	SVVJGAGBTLIZMT-UHFFFAOYSA-N	302.363	1.744	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CCOC)cc1	263842219	AYAMDIQMFVIWPP-LLVKDONJSA-N	310.350	1.037	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)C(C)(C)C	265081600	IPGPFUKFIWDJNN-VIFPVBQESA-N	310.325	1.356	50	20	DDGD	
Cc1oc(-c2ccsc2)nc1CC(=O)NNC(=O)NC1CC1	263748125	BWRGPIOCPIYCRK-UHFFFAOYSA-N	320.374	1.747	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](C)CO[C@H]1CCOC1	267915547	DEAFTYOLFHTNHS-OLZOCXBDSA-N	321.377	1.133	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	265729480	XCVBVHRMVDSBHN-SECBINFHSA-N	321.308	1.605	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)Cc2ccccc2OC)O1	268291057	YOXPGSHAIHFGNJ-OCCSQVGLSA-N	306.362	1.343	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@H]1CSCCS1)c1ccccc1	264628073	KZDXDGGOGPIJRI-GFCCVEGCSA-N	324.471	1.960	50	20	DDGD	
CC1=C(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CCCO1	270115348	KSJNYMKEUSKOPG-AWEZNQCLSA-N	318.329	1.058	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cn(-c2ccccc2)nc1C	272656659	GJEBRTUTPOUHKW-UHFFFAOYSA-N	301.350	1.487	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2nccn2C1	364952743	JOCUUMLQLLHXKD-SNVBAGLBSA-N	301.306	1.497	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H]1CCCN1c1ccccc1	365990484	RCEMHRVKQNUOIH-CYBMUJFWSA-N	313.361	1.597	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCCN(C)C(=O)OC)c1	272526628	ANRVXENQDMWBEN-UHFFFAOYSA-N	323.349	1.395	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc3c(c2)CCNCC3)n1	276705539	OIFDGCOHXOYXQR-UHFFFAOYSA-N	311.389	1.539	50	20	DDGD	
C[C@H](CN(C)S(=O)(=O)CBr)c1nccs1	273124465	RWPUIBWIWFGTPU-SSDOTTSWSA-N	313.242	1.861	50	20	DDGD	
O=C(NNS(=O)(=O)c1cc(F)cc(Cl)c1)C1CCC1	270133916	PTOCQOQXBSMNHC-UHFFFAOYSA-N	306.746	1.589	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](NC(=O)NNc2ccc(Cl)nn2)CCO1	271490124	JFUFCKDWUJAPSC-UWVGGRQHSA-N	313.789	1.960	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C2(C#N)CCCC2)nc1C	272226421	UZVDBYBEGDEDRE-UHFFFAOYSA-N	317.349	1.489	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C[C@H]2CCC(=O)[C@H]2C)cc1	279725499	VJFCQMWNCSNHGN-QWHCGFSZSA-N	318.373	1.527	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)c2ccccc2)CCO[C@H]1C1CC1	375135477	KPZDDBHUFSZHRF-WMLDXEAASA-N	317.389	1.836	50	20	DDGD	
C[C@H](CN)C(=O)NNc1c(F)cc(F)cc1Br	285762270	KTACNMFDPLYNLP-RXMQYKEDSA-N	308.126	1.765	50	20	DDGD	
COCCCn1nccc1/C=C(\C#N)C(=O)Nc1ccncc1	283075821	TVPOKWRWXQUCTP-ACCUITESSA-N	311.345	1.860	50	20	DDGD	
O=C(CS(=O)(=O)C1CCCC1)NNc1ncccc1F	286092208	UUYWWEGBLPBPKS-UHFFFAOYSA-N	301.343	1.021	50	20	DDGD	
C[C@@H](CNC(=O)/C(C#N)=C\c1ccc(O)cc1)c1nncn1C	280916616	XCXKAUUOZNWBTH-HKMIMPICSA-N	311.345	1.348	50	20	DDGD	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ccc(OC(F)F)cc1	285718120	JCGNESATTBKLQK-WDEREUQCSA-N	314.288	1.930	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@H](c1ccsc1)N(C)C	298673781	VDEUQCYCJJJZEM-LBPRGKRZSA-N	312.439	1.727	50	20	DDGD	
COc1cccc(CCC(=O)NNc2nnc(C)c(O)n2)c1F	806365052	NFTXMIJEQJICJI-UHFFFAOYSA-N	321.312	1.109	50	20	DDGD	
C[C@@H]1CCCC[C@H]1OCC(=O)NNC(=O)N=c1cc[nH]cc1	802028104	JYLBGTBFVYNLOJ-DGCLKSJQSA-N	306.366	1.252	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1nncn1-c1ccccc1	298656569	BMDCLTTYPCHMGE-UHFFFAOYSA-N	316.365	1.144	50	20	DDGD	
COC(=O)c1cc(C(=O)NCC(Cl)Cl)cc([N+](=O)[O-])c1	808131003	MPMQUJCJERWIAO-UHFFFAOYSA-N	321.116	1.915	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)CCc1cccc([N+](=O)[O-])c1	801601153	BKCVHNCOBSZFPS-NSHDSACASA-N	322.365	1.015	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	293944223	PNPOPNANGBMHIT-CABZTGNLSA-N	307.306	1.232	50	20	DDGD	
Cc1nn(C)c(Br)c1C(=O)NNC(=O)C(C)(C)C	801132747	QGZUZYXSVAHKBE-UHFFFAOYSA-N	317.187	1.298	50	20	DDGD	
CCC1(CC)[C@@H](NC(=O)NNc2ncncc2F)C[C@H]1OC	292999673	KYJNRUUSBMMPJN-WDEREUQCSA-N	311.361	1.836	50	20	DDGD	
CN(C)C(=O)NNC(=O)C1(Cc2ccc(F)cc2)CCOCC1	292737094	QHPIKEXIVPZJMO-UHFFFAOYSA-N	323.368	1.467	50	20	DDGD	
COc1cc(C)c(NC(=O)NNC(=O)CN(C)C)c(C)c1C	806769602	LVKJAWMNFJGJEY-UHFFFAOYSA-N	308.382	1.335	50	20	DDGD	
CCNC(=O)CCC(=O)NNC(=O)Nc1cc(F)cc(F)c1	802005882	ZYHZCACTRSEMRD-UHFFFAOYSA-N	314.292	1.034	50	20	DDGD	
C[C@H](Oc1ccc(C=O)cc1)C(=O)NNc1ncccc1F	804215921	LGNYBJMEESJHFK-JTQLQIEISA-N	303.293	1.944	50	20	DDGD	
CCOC(=O)/C(C#N)=C/c1ccccc1OCC(=O)N(C)C	299211268	JHZPJHRMKQORQF-UKTHLTGXSA-N	302.330	1.624	50	20	DDGD	
COC(=O)NNC(=O)[C@H](C)c1cccc(Br)c1	291039089	YAZJTPXABPGYGU-SSDOTTSWSA-N	301.140	1.940	50	20	DDGD	
CN(CCCNC(=O)NNc1ccncn1)Cc1ccccc1	297581382	XRBDUCROBYFSRP-UHFFFAOYSA-N	314.393	1.625	50	20	DDGD	
C[C@H](NC(=O)NNc1ncccn1)[C@@H]1OCCc2sccc21	292173786	OGCMIVWTSVKNDO-CABZTGNLSA-N	319.390	1.867	50	20	DDGD	
O=C(C=C1CCCCC1)NNC(=O)CNC(=O)c1cccs1	299660508	LJDVRUFADULYCB-UHFFFAOYSA-N	321.402	1.516	50	20	DDGD	
CN(NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccccc1	299247607	YATFCCUXIMCRKU-UHFFFAOYSA-N	316.361	1.019	50	20	DDGD	
CN1CC2(CCN(C(=O)[C@H](Br)C(C)(C)C)C2)C1	819526087	YXGNVWQFYOFIQA-JTQLQIEISA-N	303.244	1.960	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H](C)n2cncn2)ccc1C	816690027	FNUMGSIEWAWWFM-SNVBAGLBSA-N	303.322	1.077	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1	815159221	MYNCMSCOWGBPDO-YTFOTSKYSA-N	307.438	1.546	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc(C)cc1)C[C@@H](C)OC	812908502	MAJHQJOORDQCOQ-CYBMUJFWSA-N	307.394	1.113	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1cc(Cl)c(F)cc1O	814760843	IQLLLXTWJBPOGP-UHFFFAOYSA-N	313.716	1.257	50	20	DDGD	
Cc1ccc(C=NNC(=O)Nc2ccc(S(N)(=O)=O)cc2)o1	814965930	QAFGDQOBZHXXBK-UHFFFAOYSA-N	322.346	1.391	50	20	DDGD	
C=C(C)C(C)(C)C(=O)NNC(=O)Cn1cnc2ccccc21	819005176	KUPKVMSMMCMRGE-UHFFFAOYSA-N	300.362	1.786	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCCO[C@H](CN)C1	818012542	NXRPMMHVQHRQCD-ZJUUUORDSA-N	307.232	1.372	50	20	DDGD	
CCC(=NNC(=O)COc1ccccc1O)c1cnn(C)c1	814951546	IUOWJKDGJVDZHD-UHFFFAOYSA-N	302.334	1.435	50	20	DDGD	
CN(C)C[C@H](CO)NC(=O)CCCC[C@H]1CCSS1	816617920	LLDXUPDJYWCQBH-NEPJUHHUSA-N	306.497	1.739	50	20	DDGD	
CN(NC(=O)CCCN1CCN(c2ccccc2)CC1)C1CC1	819647182	IXRUYIMCBXXPDT-UHFFFAOYSA-N	316.449	1.714	50	20	DDGD	
O=C(NNc1ncncc1F)N[C@H]1C[C@@H]1c1cccc(F)c1	814290535	JLAIPLVNCLDNSY-PWSUYJOCSA-N	305.288	1.937	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@]2(C)CC2(F)F)cc1	817513931	RQQBKPFSSGHSHM-CYBMUJFWSA-N	311.288	1.126	50	20	DDGD	
O=C(C[C@H]1C(=O)Nc2ccccc21)NNc1ncncc1F	817079274	OMLFWOFLQUJSTB-SECBINFHSA-N	301.281	1.185	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)c1cccnc1F	813430453	PCOHNKBUICWFPX-UHFFFAOYSA-N	303.293	1.451	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1nc2cnccc2s1	816824216	RVGJXYDGBZSUNC-UHFFFAOYSA-N	301.331	1.105	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1ccnn1-c1ccc(F)cc1	815003789	KLIUPHJIFFCJFV-UHFFFAOYSA-N	324.319	1.984	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1COc2cc(C)c(C)cc21	814854094	CMCMSTALSWDABY-UHFFFAOYSA-N	317.389	1.821	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccnc(-c2ccc(Cl)cc2)n1	813424511	PIHVESSGBZFGOH-UHFFFAOYSA-N	319.752	1.761	50	20	DDGD	
COC1(CNC(=O)NNc2cccc(Cl)n2)CCOCC1	814313873	OIUDLECNYVTCAJ-UHFFFAOYSA-N	314.773	1.557	50	20	DDGD	
CC(=O)N[C@](C)(C(=O)NC[C@]1(C)C[C@H]1Br)C(C)C	826859609	UCQMMSUGJFVZKD-WXHSDQCUSA-N	319.243	1.827	50	20	DDGD	
CCCNC(=O)OC[C@H]1CCCCN1C(=O)/C(C#N)=C\OCC	490938080	DTFNVKSQXAVEDZ-YBEMTRGBSA-N	323.393	1.948	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCCc2nccs2)c1	728952020	JFWKHSOGTCLOIG-UHFFFAOYSA-N	315.358	1.201	50	20	DDGD	
CCOC(=O)NNC(=O)C[C@@H](c1ccccc1)c1ncc[nH]1	495696158	QPIPUQRUOYEPSX-LBPRGKRZSA-N	302.334	1.709	50	20	DDGD	
CN(NC(=O)c1ccc(C(=O)NN(C)C2CC2)cc1)C1CC1	822433777	FNHRIDXNIXXYED-UHFFFAOYSA-N	302.378	1.165	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc2c(c1)OCCCCO2	491159089	HNSRPSBEHAZDIW-UVTDQMKNSA-N	316.357	1.908	50	20	DDGD	
CCc1onc(-c2ccccc2)c1C(=O)NN(CC)CCO	823879634	QGWVTFNPSAWWEL-UHFFFAOYSA-N	303.362	1.863	50	20	DDGD	
O=C(CCc1cscn1)NNC(=O)COc1ccccc1F	726765677	XPXDUBXHHNPUMJ-UHFFFAOYSA-N	323.349	1.441	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NC1CCN(C(=O)C2CC2)CC1	728595817	XYGHHSKYLSWTQQ-UHFFFAOYSA-N	324.425	1.154	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1c[nH]nc1-c1c(F)cccc1F	823946962	QEOMVLWTAHLJRT-QMMMGPOBSA-N	310.304	1.312	50	20	DDGD	
CCN(CCO)NC(=O)C(C)(C)Oc1cccc(Cl)c1	823860691	YPOPRTLXBILMPV-UHFFFAOYSA-N	300.786	1.843	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1	490868173	ULICBYIAUDJTNZ-UHFFFAOYSA-N	322.365	1.950	50	20	DDGD	
O=C(NCc1cccc(C(=O)O)c1)NNc1ccc(F)cn1	821446601	ZHFDGKXIWMBZPG-UHFFFAOYSA-N	304.281	1.745	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2ccc3c(=O)[nH]ccc3c2)CO1	828439338	GNTVBFUXSFMHLJ-BXKDBHETSA-N	302.334	1.332	50	20	DDGD	
O=C(NNC(=O)c1ccc(Br)s1)c1cocn1	729301556	ONGOMKYROZQMCY-UHFFFAOYSA-N	316.136	1.573	50	20	DDGD	
O=C(C[C@@H]1CC[C@@H]2C[C@H]12)NNC(=O)c1ccc2c(c1)OCCO2	822293338	UKXPSUWLKWXJQU-MDZLAQPJSA-N	316.357	1.655	50	20	DDGD	
CC(=O)NNC(=O)c1occc1CN1C(=O)Cc2ccccc21	728602321	GUECKKFCLCHTMR-UHFFFAOYSA-N	313.313	1.150	50	20	DDGD	
CN(NC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CC1	823995406	GXWQVKFBLGPGEC-UHFFFAOYSA-N	319.333	1.814	50	20	DDGD	
C[C@H](C[C@@H](O)c1ccc(F)cc1)NCc1cccc(B(O)O)c1	585035039	PBBLFVZTGMNMRL-SJKOYZFVSA-N	317.169	1.107	50	20	DDGD	
COC(=O)CC(=O)NNc1ccc(Br)cc1C	907093746	AFKXGBKFOYVVNB-UHFFFAOYSA-N	301.140	1.764	50	20	DDGD	
C[C@H]1OC(=O)N[C@@H]1C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	496376757	BUSINZTUTGYEQW-ANLVUFKYSA-N	314.685	1.188	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)C[C@H](c1ccccc1)c1ncc[nH]1	823921858	DDEHUDWYPLVOGH-TZMCWYRMSA-N	302.378	1.276	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CC[C@@H](OC(C)C)C1	825965286	VMVRTZSAYMZPJT-GFCCVEGCSA-N	321.377	1.549	50	20	DDGD	
O=C(CNc1ccccc1)NN=Cc1ccccc1-c1nn[nH]n1	826414421	VIEOTVQEPSGWOW-UHFFFAOYSA-N	321.344	1.429	50	20	DDGD	
CCN(Cc1cnn(C)c1)C(=O)[C@@]1(C)C[C@H]1Br	906435999	NQNVMQDUPSTDSP-PWSUYJOCSA-N	300.200	1.942	50	20	DDGD	
COc1c(NC(=O)NN(C)C2CC2)cc(Cl)cc1C(N)=O	824338545	XMMMKHQSZNDIFO-UHFFFAOYSA-N	312.757	1.578	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)c2ccccc21	905333137	ZKSSSABTQHZCJA-WKPIXPDZSA-N	311.341	1.164	50	20	DDGD	
CC(=O)NC[C@@H]1CCCN(C(=O)[C@@]2(C)C[C@H]2Br)C1	906433042	IGHNOXRDAMVYPS-LOWVWBTDSA-N	317.227	1.535	50	20	DDGD	
CCOC(=O)NNC(=O)Cn1c(C)nc2cc(F)c(F)cc21	492171576	CNAGEGVVHXHWBM-UHFFFAOYSA-N	312.276	1.400	50	20	DDGD	
CCCNC(=O)/C(C#N)=C/c1ccc(OC)c(-c2nn[nH]n2)c1	736482598	XZOQHOAPAGIWNQ-YRNVUSSQSA-N	312.333	1.308	50	20	DDGD	
C[C@@H](CCCc1cccnc1)NCc1ccc(B(O)O)cc1F	585045945	KAWOEKJXRHOLHO-ZDUSSCGKSA-N	316.185	1.402	50	20	DDGD	
Cc1nn(C)c(C)c1CNC(=O)[C@@]1(C)C[C@@H]1Br	906843823	HAOMJCCQQQNBJU-JQWIXIFHSA-N	300.200	1.827	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)NCCSC(F)(F)F	836239946	RQQKCVDTNRXFAD-UHFFFAOYSA-N	323.300	1.092	50	20	DDGD	
CC(=NNC(=O)[C@H]1COc2ccccc2O1)c1cncc(F)c1	737418520	UAVBUJMJBMHUPU-OAHLLOKOSA-N	315.304	1.901	50	20	DDGD	
COc1ccc(NNC(=O)C2CCC(C(=O)N(C)C)CC2)nc1	832644937	GBVHWKHLNZMHNE-UHFFFAOYSA-N	320.393	1.428	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)NOC2CCC2)cc1OC	836564515	FGONSBLESKGZEG-UHFFFAOYSA-N	323.349	1.522	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H](C)CN(C)C)cc1F	838592202	QIAOBXVMUUIZPU-VIFPVBQESA-N	312.345	1.189	50	20	DDGD	
CC1(C)CN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1ccccc1	584934203	MHAHEHOBYSRIBB-MRXNPFEDSA-N	309.174	1.590	50	20	DDGD	
CC[C@H](C)[C@H](C=NNC(=O)[C@@H]1COc2ccccc2O1)OC	834917349	AHHLMELNYDBQOX-CQDKDKBSSA-N	306.362	1.990	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C1CCC1	837310350	AMIIJLRBKYWHLE-YGRLFVJLSA-N	304.346	1.410	50	20	DDGD	
CCNC(=O)NN=C(C)[C@@H]1CN(Cc2ccccc2)CCO1	735613759	IPZYIAVGGTZFSA-HNNXBMFYSA-N	304.394	1.582	50	20	DDGD	
C/C(=C(/F)C(=O)NNC(=O)Cc1cn2ccccc2n1)C1CC1	900927394	ZCOYHFBIDPECHS-GDNBJRDFSA-N	316.336	1.678	50	20	DDGD	
CC1(C)C[C@H](CNC(=O)NNc2nc3ccccn3n2)CCO1	838734886	JEWUDMYGMXEAPK-LLVKDONJSA-N	318.381	1.561	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CN(C)CC(C)C)cc1C	736309337	UAHPVXOBGKWBOY-UHFFFAOYSA-N	311.451	1.968	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1nnc(C(F)F)s1	831362824	NOQGURNSWOSHSX-CRCLSJGQSA-N	321.309	1.053	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21	910063480	SFIIJAKZMZFLNS-YJBMVLHGSA-N	322.405	1.404	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1cccc(F)c1F	730728484	XZQZIPAYHZCFPA-UHFFFAOYSA-N	307.256	1.438	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cncc(O)c2)cc1	732276545	VLQNFOTVVQDMJH-UHFFFAOYSA-N	315.329	1.190	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@H](C(=O)O)C1)c1ccccc1O	833149171	HDHMNVOSXHBHKX-UWVGGRQHSA-N	306.318	1.044	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NC[C@H](C)N(C)C)ccc1F	838685862	WJIFXSHNIIBHDR-VIFPVBQESA-N	312.345	1.189	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)C1CCCC1)CN1CCCCC1	918104702	UTIAQOYFHGTMEZ-ZDUSSCGKSA-N	310.442	1.629	50	20	DDGD	
CCn1ccnc1[C@H](C)NC(=O)NNc1ncncc1Cl	836628683	VKJTYSFYBXVUHK-QMMMGPOBSA-N	309.761	1.734	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NN=Cc2ccc(C(=O)O)[nH]2)c1	749811626	DNSSHPJOSSUJTN-UHFFFAOYSA-N	315.329	1.859	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)CC(F)(F)F)CN1CCCC1	918080923	HGKKVGFJPNYYJJ-VIFPVBQESA-N	310.320	1.001	50	20	DDGD	
COCCOCC(C)=NNC(=O)COc1ccccc1C#N	741161983	OOXJWSMDHXMMEO-UHFFFAOYSA-N	305.334	1.092	50	20	DDGD	
CN(C)C(=O)NN=Cc1c[nH]nc1-c1ccc2c(c1)OCCO2	745601447	AGRBFTLJUQJRIS-UHFFFAOYSA-N	315.333	1.453	50	20	DDGD	
Cc1nn(C(C)C)cc1C(=O)NNC(=O)Cc1ccc(F)cc1	847291613	UCEONCYNPUBFHL-UHFFFAOYSA-N	318.352	1.915	50	20	DDGD	
CC(C)N1CCC(C(=O)NNC(=O)NCc2ccco2)CC1	746167697	WSAHZGZFQSLNSE-UHFFFAOYSA-N	308.382	1.230	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@H](CC1CC1)NC(=O)OC(C)(C)C	910181516	BZIVIUFGTUZQBZ-PWSUYJOCSA-N	315.414	1.024	50	20	DDGD	
Cc1ccc2c(c1)CCN(C(=O)NNC(=O)c1ncccn1)C2	841592870	YOWBIARNQJECAW-UHFFFAOYSA-N	311.345	1.198	50	20	DDGD	
CC(=NNC(=O)c1cccn1C)c1ccc(O)c([N+](=O)[O-])c1	749611558	FQMQJWYLEIFGPZ-UHFFFAOYSA-N	302.290	1.793	50	20	DDGD	
CC(=NNC(=O)C(=O)NC(C)C)c1ccc(C)c([N+](=O)[O-])c1	744812918	WLTNZWHIKZSDSP-UHFFFAOYSA-N	306.322	1.268	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CSc1ccc(C(F)(F)F)cn1	910178687	PJFXZZBEIBDHES-QMMMGPOBSA-N	323.340	1.536	50	20	DDGD	
O=C(NCC1CC1)NNC(=S)N[C@@H]1CCOc2ccccc21	741485746	AMIVUWZMMONPJR-GFCCVEGCSA-N	320.418	1.599	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCCC[C@@H]1N1CCCCC1	748780273	IDGXLZKVWDHMMT-HNNXBMFYSA-N	320.437	1.510	50	20	DDGD	
CC(=NNC(=O)Cc1ccncc1)c1ccc(O)c([N+](=O)[O-])c1	749620993	CPXAHZUKVGCYSE-UHFFFAOYSA-N	314.301	1.778	50	20	DDGD	
COc1cc(Cl)cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	843662984	VSSDTHPMRZDGNW-PELKAZGASA-N	312.753	1.535	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cnc(S)n1-c1ccc(F)cc1	910173602	NPLXLNZFYQBNLC-VIFPVBQESA-N	324.381	1.258	50	20	DDGD	
C[C@@H]1CCCCCC1=NNC(=O)CNC(=O)c1cccnc1	844587033	HZNWVGFSAAAPAE-GFCCVEGCSA-N	302.378	1.884	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1ccc(Cl)nc1	748786879	VPFSIECYAATMOT-UHFFFAOYSA-N	306.709	1.208	50	20	DDGD	
CCNCCNC(=O)NNC(=O)Cc1cccc2ccccc12	841935164	QTWVSQUPKKMITM-UHFFFAOYSA-N	314.389	1.322	50	20	DDGD	
CC(=O)CCc1ccc(OCCC(=O)NNC(=O)C(C)C)cc1	746818216	RCCYODDIYYGNBY-UHFFFAOYSA-N	320.389	1.781	50	20	DDGD	
C=CCCCC(=O)OCC(=O)NNC(=O)c1cccc(C)c1	748226156	MKCMNNBFANHALS-UHFFFAOYSA-N	304.346	1.656	50	20	DDGD	
CC(C)(C)c1ccc(OCC(=O)NN=Cc2cnon2)cc1	841604590	MDDLPQFQRNLGJM-UHFFFAOYSA-N	302.334	1.896	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)C2CC2)cc(Cl)c1OC	844780148	SVHHFBMDZCNRQQ-UHFFFAOYSA-N	313.741	1.920	50	20	DDGD	
C[C@H](N)CNC(=O)NNC(=O)Cc1ccc2ccccc2c1	841989757	WVWRWCRXZJMJNS-NSHDSACASA-N	300.362	1.060	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1sccc1Cl	842590649	QIXLKMFGVAWJRO-NKWVEPMBSA-N	324.811	1.136	50	20	DDGD	
O=C(NCCc1cccs1)NN=C1CCCn2ccnc21	848403461	ULBIXJHQICASPY-UHFFFAOYSA-N	303.391	1.984	50	20	DDGD	
COc1ccc2onc(CC(=O)NNC(=O)C3CCCC3)c2c1	841047421	AHCMEHMRQLAVFZ-UHFFFAOYSA-N	317.345	1.717	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNC(=O)COc1ccc(C#N)cc1	841376063	QCLFRVXANKJZRI-AWEZNQCLSA-N	319.361	1.146	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNc1ccc(Cl)nn1)c1cnn(C)c1	927413058	LEQAXXHEJYFUID-GFCCVEGCSA-N	323.788	1.887	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)cc1	929290207	XKOBHTZXPVARJE-AIDNBVJZSA-N	314.385	1.813	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)c(F)c1)[C@@H]1CCS(=O)(=O)C1	921258635	LOCFTTNGOOCDNT-SECBINFHSA-N	318.757	1.364	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)COc1cc(C)ccc1C	755036069	LZNSNRORNGRSBF-GFCCVEGCSA-N	308.378	1.502	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)c1cc[nH]n1)CCCO2	853391948	FEROOOOSYUMELT-UHFFFAOYSA-N	300.318	1.725	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1cccnc1Cl	855006690	QBBXJASWFLWNPF-ONGXEEELSA-N	311.769	1.240	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)CCc2ccccc2)c(C)n1	859005932	BCYYNTFXZFULAR-UHFFFAOYSA-N	300.362	1.605	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(SC)c([N+](=O)[O-])c1	921042992	ZGLVIYWIBRAGMZ-UHFFFAOYSA-N	312.351	1.671	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2nnc3ccccn23)o1	756432236	IUUHKFNELLCNOS-UHFFFAOYSA-N	300.278	1.097	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NOCCC(F)(F)F)c1	858375771	WALDYMVYZXENOJ-UHFFFAOYSA-N	311.285	1.885	50	20	DDGD	
CC(=O)N1CC[C@@H](NC(=O)NNc2ccc(C)cc2Cl)C1	856968418	JOROZEXWXIIBKT-LLVKDONJSA-N	310.785	1.895	50	20	DDGD	
CCCN(CC)C[C@H](C)NC(=O)NNc1ncc(Cl)cn1	856907313	SNJOTLQNOUJWEG-JTQLQIEISA-N	314.821	1.877	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1c(F)ccc2c1OCO2	929428722	VEPMPSSEPDGHDW-UHFFFAOYSA-N	313.354	1.462	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H](C)C2CCC2)cc1OC	756051425	UWAYUYOVNOLOEP-JTQLQIEISA-N	321.377	1.836	50	20	DDGD	
C[C@]1(CN=c2nn[nH]n2-c2ccccc2)C[C@@H]1Br	856787232	WYZWJTUXLBKSHA-CMPLNLGQSA-N	308.183	1.670	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@H]2C[C@H](OC)C2)cc1	858982181	UEZMFHQCGWDOEF-UMSPYCQHSA-N	308.338	1.208	50	20	DDGD	
C[C@]1(CNC(=O)c2nnc3ccccc3n2)C[C@@H]1Br	857390268	CSRCXTLBISQIGQ-GXFFZTMASA-N	321.178	1.928	50	20	DDGD	
CC[C@@H](CN1CCOCC1)NC(=O)NNc1cc(F)ccc1C	925605809	IVFCPIQXFKXMRT-AWEZNQCLSA-N	324.400	1.871	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2conc2C(C)C)c1	858127897	TZXWBVOAUKYMED-UHFFFAOYSA-N	317.345	1.946	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1cc(F)cc(F)c1	755678842	MCFVCEFIOXRSIP-UHFFFAOYSA-N	307.256	1.438	50	20	DDGD	
COCCOC[C@H](C)NC(=O)NNC(=O)c1cc(C)cs1	858287335	UHLWKKJRYOIDAA-JTQLQIEISA-N	315.395	1.052	50	20	DDGD	
NCCCN(CC1CCCC1)S(=O)(=O)CBr	850588244	YCGVNONPUZZJBI-UHFFFAOYSA-N	313.261	1.510	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)[C@H]1COc2ccccc2O1)C1CC1	852598565	XDUAYOLTFLHIOD-SMDDNHRTSA-N	319.361	1.345	50	20	DDGD	
C[C@@H]1CC[C@@H](CC(=O)OCC(=O)NNC(=O)c2ccccc2)C1	759415866	JGPZMXCPIRCQCU-CHWSQXEVSA-N	318.373	1.817	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(C)c(Cl)cc1OC	755409403	AVYOWHGYVWICNP-UHFFFAOYSA-N	301.730	1.456	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=S)N[C@@H](C)C2CC2)CCC1	855098555	JDFKMMYQAQMHGO-VIFPVBQESA-N	313.423	1.014	50	20	DDGD	
CN(CC(=O)NNc1ccc(C#N)c(Cl)c1)C(=O)C1CC1	753303175	SESXGBFPNODIIY-UHFFFAOYSA-N	306.753	1.523	50	20	DDGD	
C[C@H]1CC/C(=C\C(=O)NNC(=O)c2ccc3c(c2)OCO3)C1	753561477	CIKUHRZFULZGEM-VUBLIPMDSA-N	302.330	1.923	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)C2CCC2)C[C@@H]1Br	856900943	ZVKNWHGQAFLZRG-KWQFWETISA-N	304.188	1.290	50	20	DDGD	
C[C@H]1CN(C2CC2)CC1=NNC(=O)CNc1ccccc1F	755879415	KBJZNPRKICAUFA-NSHDSACASA-N	304.369	1.824	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NN=Cc1cncs1	853371782	IELVHWHXNMKOAS-VXGBXAGGSA-N	319.390	1.495	50	20	DDGD	
Cc1onc(CC(=O)NC[C@]2(C)C[C@@H]2Br)c1C#N	857735154	XTKIRCSNBHLSHK-JQWIXIFHSA-N	312.167	1.687	50	20	DDGD	
CCOC(=O)NCCC(=O)NC[C@@]1(C)C[C@H]1Br	857397885	JKRPHAOOQAXDEW-LDYMZIIASA-N	307.188	1.412	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)[C@H]2CC[C@H](C3CCC3)CC2)nn1	857149893	GZEPZBQYGNGYAG-HAQNSBGRSA-N	317.393	1.625	50	20	DDGD	
COC(=O)[C@H]1CC12CCN(CCI)CC2	759362198	BDLBQMBAVBDINZ-SECBINFHSA-N	323.174	1.697	50	20	DDGD	
CC1(C)C(=NNC(=O)C(=O)Nc2ccccn2)[C@H]2CCCO[C@H]21	758380542	GCOAFNPRHSANKA-ZWNOBZJWSA-N	316.361	1.327	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@H]1CCC(C)(C)C1	854283557	AEPBSRYCZARCOQ-NSHDSACASA-N	301.456	1.687	50	20	DDGD	
CCc1cc(C(=O)NNc2cccc(C(=O)OC)c2C)n[nH]1	855627893	HDFDPMCGFVLGQT-UHFFFAOYSA-N	302.334	1.824	50	20	DDGD	
COc1nccnc1NNC(=O)CCC[C@H](O)c1ccccc1	854954652	ZQTCKLYGYIDFCB-ZDUSSCGKSA-N	316.361	1.832	50	20	DDGD	
COc1ccc(C2(C(=O)NNC(=O)NCC3CC3)CCC2)cc1	751372013	QKYANKPOTWTZIA-UHFFFAOYSA-N	317.389	1.857	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNc1cccc(Br)n1	868819393	BZCABCWJMXZLRJ-MRVPVSSYSA-N	315.171	1.202	50	20	DDGD	
CC(C)[C@H]1CCCCC1=NNC(=O)N[C@H]1CCS(=O)(=O)C1	764680382	DHSSYPWIGKJDMW-NWDGAFQWSA-N	315.439	1.675	50	20	DDGD	
O=C(c1ccn(-c2ccccc2Cl)n1)N1CC[C@H](B(O)O)C1	864232041	VQYKBRSFIHWNTO-JTQLQIEISA-N	319.557	1.215	50	20	DDGD	
N#Cc1c[nH]c(C(=O)NNc2ccnc(Br)c2)c1	769954308	CIHUVJOSFPATNM-UHFFFAOYSA-N	306.123	1.801	50	20	DDGD	
C[C@@H](NNC(=O)c1cc(Cl)nc(N(C)C)c1)C(F)(F)F	862314196	XSFCGXVTWDHXTI-ZCFIWIBFSA-N	310.707	1.986	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CCc2ccc(Cl)cc2)n[nH]1	869013061	KKERQZVZEUISQH-UHFFFAOYSA-N	320.780	1.694	50	20	DDGD	
Cc1cc2ncc(C(=O)NNc3nc4ccccc4[nH]3)c(C)n2n1	768516024	YILGOGPFGYLTPW-UHFFFAOYSA-N	321.344	1.979	50	20	DDGD	
O=C1NCC[C@@]1(C(=O)NN=c1cc[nH]cc1Cl)C1CCCC1	860854992	OLWXAJPSIXXTNU-OAHLLOKOSA-N	322.796	1.297	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)C[C@@]1(C)CC1(Cl)Cl	867118571	SREXCZXWJJIWDO-MRVPVSSYSA-N	318.226	1.066	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H]1CCCN(CC(F)F)C1	865014582	IUYPAIHOAZBEOF-JTQLQIEISA-N	306.357	1.094	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cccc(C(C)=O)c2)n1	765752151	DGXHIVLECQCFHK-UHFFFAOYSA-N	300.318	1.753	50	20	DDGD	
COCC(=O)NN=Cc1c(F)ccc(C2OCCO2)c1Cl	761810645	PRCIKAOWZCPLDI-UHFFFAOYSA-N	316.716	1.621	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2cnn(C)c2C2CC2)c1	862478319	VUBXONIAVOKOTR-UHFFFAOYSA-N	304.375	1.742	50	20	DDGD	
COC(=O)c1coc(C(C)=NNC(=O)Cc2nc(C)cs2)c1	766429796	FHFPLMVVCKOQQN-UHFFFAOYSA-N	321.358	1.914	50	20	DDGD	
COc1cc(C)ccc1C(C)=NNC(=O)[C@@H]1CCS(=O)(=O)C1	767252573	DOWQTWUOJULRJW-GFCCVEGCSA-N	324.402	1.279	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)NC(=O)[C@H](Br)C(C)(C)C	768146734	SBVZKIGNRPTIOW-YUMQZZPRSA-N	314.245	1.345	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C(=O)N1CCCC1)C1CCC(C)CC1	763758348	RSMTYKGEMKEUBV-RUXDESIVSA-N	323.437	1.609	50	20	DDGD	
Cc1cc(C)c(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)c(Cl)c1	860280404	KJZZJYQLZDMJNR-SNVBAGLBSA-N	324.768	1.388	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)CC(F)(F)F)c1CC	760812128	IDDAGVDDVGFKFW-UHFFFAOYSA-N	320.315	1.959	50	20	DDGD	
Cc1nocc1CNC(=O)NC[C@]1(C)C[C@@H]1Br	875757201	CYVZQIUUGTYACH-ONGXEEELSA-N	302.172	1.956	50	20	DDGD	
CCSc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)C1CC1	763336083	OENXDUXCTVHPHX-UHFFFAOYSA-N	309.347	1.878	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C2=CCOCC2)cc1C	873762733	AHMRSIXQALQIPO-UHFFFAOYSA-N	305.403	1.968	50	20	DDGD	
CC[C@H](C)n1nc(NC(=O)NNC(=O)C2CCOCC2)cc1C	879114172	UAGDCSCIAFCHLX-JTQLQIEISA-N	323.397	1.742	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NCCSSC)c(F)c1	873872612	ZOBCYAQXYVHFDD-UHFFFAOYSA-N	318.395	1.900	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)COc1ccc(C(N)=O)cc1	771706598	CUQNWBWVDWDESQ-UHFFFAOYSA-N	317.320	1.755	50	20	DDGD	
CCC(C)(C)N[C@H](C)C(=O)NNC(=O)c1ccc2c(c1)OCO2	771858315	LXLBROLKELKBDR-SNVBAGLBSA-N	321.377	1.343	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)Cc2ncccc2F)nn1	1118824706	QBYDRYKWRDSOOD-UHFFFAOYSA-N	303.341	1.994	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(OCC(F)(F)F)nc1	878253547	PGHUYXHTKXSNNR-UHFFFAOYSA-N	322.243	1.757	50	20	DDGD	
CN(C)c1ccncc1C=NNC(=O)COc1ccccc1F	776178879	GDJAPLIZMDQBBL-UHFFFAOYSA-N	316.336	1.816	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@H](c2ccccc2)N(C)C)cc[nH]1	874989478	NZIKNCCVUGWFEM-MRXNPFEDSA-N	313.405	1.741	50	20	DDGD	
Cc1cncc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)c1	772161307	HUKQACXIFYKFIX-LLVKDONJSA-N	307.350	1.129	50	20	DDGD	
CN(NC(=O)c1cc(Oc2ccccc2)ccc1O)C(N)=O	778418698	RNAPUBOMJKSVJQ-UHFFFAOYSA-N	301.302	1.840	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@@H](C)c1cccc(C#N)c1	775337907	LAKDCRGFYHFHRB-QWHCGFSZSA-N	316.405	1.791	50	20	DDGD	
CONC(=O)C1CCN(C[C@H](CBr)C2CC2)CC1	879925765	HDVVEVCSONELRW-LBPRGKRZSA-N	319.243	1.797	50	20	DDGD	
Cc1nc(C(C)C)nc(O)c1C(=O)NNc1ncc(F)cn1	1116403815	GNHTUUZCZSVLNG-UHFFFAOYSA-N	306.301	1.300	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2ccc(C(F)(F)F)cn2)c[nH]1	775257970	ZYHNDORMKBDCIL-UHFFFAOYSA-N	313.239	1.284	50	20	DDGD	
C#CCO[C@@H](C)C(=O)NNC(=S)Nc1cc(C)ccc1C	873756508	LVNREAOUHQSKMY-LBPRGKRZSA-N	305.403	1.659	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccnc(-n2cccn2)c1	772868301	FVGHLBHLDVTEHR-UHFFFAOYSA-N	323.360	1.938	50	20	DDGD	
Cc1cscc1C(=O)NNc1ccc(-n2ccnc2)nn1	788177998	PCRCTQZCKMFACL-UHFFFAOYSA-N	300.347	1.789	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](O)[C@H](C)c1ccccc1F	887153170	KHJQRGKZPBPSPA-IAQYHMDHSA-N	306.337	1.241	50	20	DDGD	
CC(C)O[C@@H](C(=O)NNC(=O)C1CCOCC1)c1ccccc1	883070184	IKRGKDMQPJODJT-OAHLLOKOSA-N	320.389	1.727	50	20	DDGD	
COc1cccc(C[C@@H](O)C(=O)NNC(=O)c2ccccc2)c1	785402252	QZJVWZVUOWYCFU-OAHLLOKOSA-N	314.341	1.060	50	20	DDGD	
Cc1nn[nH]c1C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	789871850	PJQUSYXEKCPOKO-ZETCQYMHSA-N	319.390	1.374	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@H]1CCO[C@H]1c1ccncc1	899998184	HJFBZVFOKXTNSZ-NEPJUHHUSA-N	322.434	1.453	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cccc(OC)n2)nc1	781023826	JHDHFYIHQKAMGU-UHFFFAOYSA-N	302.290	1.029	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)C(=O)Nc2cc(C)n(C)n2)c1	784885304	OJXYKJORJAWEGS-UHFFFAOYSA-N	305.313	1.258	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCc1ccc(C#N)cn1	780663416	FXYGTENINXPULM-UHFFFAOYSA-N	324.344	1.798	50	20	DDGD	
CC[C@@H](OC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C)C(=O)OC	782628520	NQVBODPWFGYISK-TZWLIRKLSA-N	315.329	1.607	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNc1cccc(C(=O)OC)c1	780800340	HPPCKWKNLOJXEC-UHFFFAOYSA-N	322.361	1.896	50	20	DDGD	
CC(C)(N)CCNC(=O)NNC(=O)CCCc1ccccc1	892862644	YKPPLWBZJLCQNT-UHFFFAOYSA-N	306.410	1.467	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2ccc3n[nH]cc3c2)n1	794088368	YZIDYWNPGVVUTG-UHFFFAOYSA-N	309.329	1.270	50	20	DDGD	
Cc1cccnc1NNC(=O)Cn1cnc(-c2ccccc2)n1	791214644	JKVSHXMJLSIQFV-UHFFFAOYSA-N	308.345	1.792	50	20	DDGD	
CCOc1ncccc1NC(=O)C(=O)NNc1ncccc1C	792375752	MXMRRRWSNOOILL-UHFFFAOYSA-N	315.333	1.266	50	20	DDGD	
Cn1cc(C(=O)CCC(=O)NNc2cnnc3ccccc23)cn1	795102652	ZVDQNVYWBLNCFM-UHFFFAOYSA-N	324.344	1.470	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)C(=O)N1CCCC1	795871379	CPTAJCPAVNXWDH-HZSPNIEDSA-N	321.421	1.363	50	20	DDGD	
CCn1ncnc1CNC(=O)NNc1ccc(Cl)c(OC)c1	793458252	HRKHWTGOVMNHBB-UHFFFAOYSA-N	324.772	1.786	50	20	DDGD	
CC[C@@H](C)C(=O)NN=C1CCCc2c1cnn2-c1ncccn1	792978968	ZUELFQZPEGHJAR-LLVKDONJSA-N	312.377	1.865	50	20	DDGD	
Cn1nccc1[C@@H]1CCCC(=NNC(=O)N2CCOCC2)C1	790287892	VOAXRZCZBXNOKY-GFCCVEGCSA-N	305.382	1.476	50	20	DDGD	
CCNC(=O)NNC(=O)c1cn2cc(Cl)cc(Cl)c2n1	799583137	VREZVOJIAGTRHK-UHFFFAOYSA-N	316.148	1.605	50	20	DDGD	
CCO[C@@H]1C[C@@H](NCC(=O)NNC(=O)C2CC2)C12CCCCC2	794574681	NQOUBHZSJOAAKQ-ZIAGYGMSSA-N	323.437	1.261	50	20	DDGD	
COc1cccc(CNC(=O)NNC(=O)c2cccc(C)n2)c1	792761673	FVJODKZQZMQPMA-UHFFFAOYSA-N	314.345	1.543	50	20	DDGD	
COc1cccc(C=NNC(=O)c2ccc3c(c2)OCCO3)n1	790155995	WNPKPFKBOBMVQE-UHFFFAOYSA-N	313.313	1.625	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1	792659512	QSQZUPNZORHQLZ-ZDUSSCGKSA-N	322.328	1.182	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNc2c(C)cccc2F)nn1	799231175	IYHNOFIOJLKRPE-UHFFFAOYSA-N	319.296	1.859	50	20	DDGD	
Cc1nn(C)c(Cl)c1C=NNC(=O)c1n[nH]c2c1CCCC2	1317773829	HIUAWTRTANKKGV-UHFFFAOYSA-N	320.784	1.748	50	20	DDGD	
CCOc1ccc(C(=O)NNc2nc(C)cc(OC)n2)cn1	1319296755	ZMYOLIDVKISJTF-UHFFFAOYSA-N	303.322	1.344	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cn[nH]c2)cnn1C1CCCC1	1329078112	LJVMKCPMICETDV-UHFFFAOYSA-N	302.338	1.105	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2Cl)CCN1	1325326268	PPGHBZHTOHTKLQ-VHSXEESVSA-N	310.785	1.425	50	20	DDGD	
CC(=NNC(=O)Cc1nc2ccccc2n1C)c1ccnc(C)n1	1320738727	ULSUUAJMMZHJBQ-UHFFFAOYSA-N	322.372	1.755	50	20	DDGD	
Cn1ccc(NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)n1	1322274481	WPYJWFCLHPKSOW-UHFFFAOYSA-N	300.297	1.706	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1ccc(C(F)F)cc1	1337203276	OKMLGZOBUBAJAJ-UHFFFAOYSA-N	313.304	1.756	50	20	DDGD	
CC(=NNC(=O)CCO)c1cc(F)c(Br)cc1F	1330143864	VXEUKPKHXWBKON-UHFFFAOYSA-N	321.121	1.950	50	20	DDGD	
CC[C@H](F)C(=O)NNC(=O)c1cc(-c2ccccc2OC)[nH]n1	1337151213	JEJWLOZBGCWSSN-JTQLQIEISA-N	320.324	1.594	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2cnnn2-c2ccccc2)CC1	1414231697	WCFYNRDQAXLTNI-UHFFFAOYSA-N	315.358	1.112	50	20	DDGD	
O=C(NNc1cccnn1)c1cc(N2CCOC2=O)ccc1F	1342263372	PKIGZGYAZIAPLH-UHFFFAOYSA-N	317.280	1.329	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@@H]2CCC[C@@]2(N)C1	1351162260	DIAUBTOTQPPDLB-SWLSCSKDSA-N	310.829	1.692	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc(C(=O)O)cn1	1600305400	VIBKCKSUCYHJEV-UHFFFAOYSA-N	316.273	1.753	50	20	DDGD	
O=C(O)Cc1sccc1C(=O)NNc1nc2ccccn2n1	1608795551	CJJVJVLGAZALMX-UHFFFAOYSA-N	317.330	1.175	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cc(-n3cccn3)ccn2)nc1	1602383548	QICGQOMLDLTDTO-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)O)C[C@@H]23)n1	1607632032	FJXCUXAUFAXQLR-KKOKHZNYSA-N	319.365	1.219	50	20	DDGD	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=NNC(=O)C(=O)O	1600764153	OZJCCIMJGIZXHM-UHFFFAOYSA-N	324.699	1.508	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)C23CCCN(CCC2)C3)nc1	1608904050	FHWCWFANZIPGGD-UHFFFAOYSA-N	304.350	1.099	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)C[C@@](C)(O)C1CC1	1607140631	VZYARZIFMLUHNM-OAHLLOKOSA-N	308.334	1.388	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)c1cnc2nccn2c1	1608480321	GUEQXJLRHGYRAU-UHFFFAOYSA-N	315.264	1.324	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2cc(C(=O)O)n(C)c2)cc1F	1600341606	QCXBSSMPVGLZRC-UHFFFAOYSA-N	303.293	1.935	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2ocnc2C2CC2)cc1	1608782075	ZNWHWUMYWWXWDA-UHFFFAOYSA-N	301.302	1.936	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccc(-c3cnc[nH]3)cc2)nc1	1602383575	RNLRZNBUCLYGKY-UHFFFAOYSA-N	323.312	1.927	50	20	DDGD	
O=C(Cn1cc(C(=O)O)cn1)NNc1ccc(Cl)c(F)c1	1601379477	TZINYPUCBQDRBC-UHFFFAOYSA-N	312.688	1.517	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@H]1CCCCO1	1609558721	DYFITSHQOKMXGO-LLVKDONJSA-N	322.756	1.532	50	20	DDGD	
CCCCC[C@@H](O)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1609209109	MCAJEHNETPMBDB-GFCCVEGCSA-N	304.354	1.251	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@@H](CC(C)(C)C)C(=O)O)cn1	1600944988	CXILVVMRMUAFMQ-JVOXIWMLSA-N	304.350	1.333	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@H]2CCCS2)cccc1C(=O)O	1610424002	RDJJQOSEYUTREU-LLVKDONJSA-N	323.374	1.742	50	20	DDGD	
COCC[C@@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)C(=O)O	1610254107	DZTOTQNGWKJFHG-BIRHUZIMSA-N	306.293	1.339	50	20	DDGD	
CCCc1cccc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)c1	1549322073	XCPMTGCMKYWQSV-IAGOWNOFSA-N	315.417	1.952	50	20	DDGD	
CC1(C)[C@H](N)C[C@H]1C(=O)NNC(=O)Nc1cc(F)cc(F)c1	1576370978	IACPYRHRZDGMST-WDEREUQCSA-N	312.320	1.491	50	20	DDGD	
CC[C@@H](C)C[C@H](N)C(=O)NNc1ccc(CC(=O)OC)cc1	1576981363	KBLXSLVUHPVRNZ-RISCZKNCSA-N	307.394	1.609	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1cccc(CCC(=O)O)c1	1588630942	RQCQANWIEORWPO-UHFFFAOYSA-N	307.350	1.903	50	20	DDGD	
C/C=C/C(=O)N1CC2(CCCN2C(=O)CO[Si](C)(C)C)C1	1844379289	MJHWXUDLHODBOZ-FNORWQNLSA-N	310.470	1.617	50	20	DDGD	
C#CCCCC(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1846373268	FTMJORYFAKBMOI-LBPRGKRZSA-N	300.761	1.528	50	20	DDGD	
O=C(NNC(=O)[C@@H](C(=O)O)C1CCCC1)c1ccc(Cl)cc1	1594779442	RESPMMMMDJIBNW-LBPRGKRZSA-N	324.764	1.992	50	20	DDGD	
O=C(C(Cl)Cl)N1CC2(CCCN2C(=O)[C@H]2CCCO2)C1	1843108243	KUGWFZJKHSLSSV-SECBINFHSA-N	321.204	1.173	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cc(F)c(C(=O)O)c(F)c1	1594866490	MXPWPHMPCCDUIQ-ZCFIWIBFSA-N	315.276	1.862	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@H]1C[C@@H](C(=O)O)C1)c1ccccc1	1594736005	IJNZRXSUBJKENH-FRRDWIJNSA-N	304.346	1.438	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)c1ccc(-c2nn[nH]n2)s1	1593161153	LIEDORPZDBDBFT-UHFFFAOYSA-N	322.300	1.963	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NC1(CC(=O)O)CCCC1	1590702118	ZSIHXZHIYJTQIT-UHFFFAOYSA-N	311.831	1.958	50	20	DDGD	
O=C(NN=Cc1cccn2c(C(=O)O)cnc12)c1ccccn1	1776028449	WFOOVKIWKFUMBC-UHFFFAOYSA-N	309.285	1.191	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)c1ccc(C(=O)O)cc1	1776098864	CGFYLOPTTDHZND-UHFFFAOYSA-N	300.318	1.499	50	20	DDGD	
CC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCOC	1795778734	HGLDCKPVACRCTD-YVECIDJPSA-N	316.829	1.679	50	20	DDGD	
C/C=C(\C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl	1793112825	UKDRYXDOHJFGLC-YSSMSZQTSA-N	314.813	1.191	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)c1cnccn1	11529012	AMEMXRXFYVDOTC-UHFFFAOYSA-N	306.325	1.634	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3ccccn3)[nH]n2)cc1	14203863	AAFRZDFLSMYBBU-UHFFFAOYSA-N	321.340	1.855	50	20	DDGD	
CC(C)CCn1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2)nn1	150866398	PQQCAAUPXBWRIX-UHFFFAOYSA-N	318.337	1.989	50	20	DDGD	
COc1ccnc(NNC(=O)c2cnn(CC(C)C)c2C)n1	161672906	URVJNULKDAOVJH-UHFFFAOYSA-N	304.354	1.403	50	20	DDGD	
Cc1nc(CC(=O)NNC(=O)c2ccccc2O)c(C)s1	162196657	LLCBSZUDNATLIH-UHFFFAOYSA-N	305.359	1.469	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCCNC(=O)c1ccc(Cl)cc1	158791648	QMZWDDBBKYWMGJ-BENRWUELSA-N	321.764	1.630	50	20	DDGD	
COC(=O)NNC(=O)CCc1ccc(OC(F)(F)F)cc1	158877400	LYXKBNUMMZTDJZ-UHFFFAOYSA-N	306.240	1.905	50	20	DDGD	
COCCN1C[C@@H](C(=O)NNc2ccc(F)cc2C)CC1=O	160836025	RTFGGAUISDYOPM-NSHDSACASA-N	309.341	1.072	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CCc2cnn(C)c2)n1	155697390	RRXMPQCQJPGXGX-UHFFFAOYSA-N	317.397	1.132	50	20	DDGD	
O=C(CCc1cc(F)ccc1F)NNc1ncnc2nc[nH]c12	156253093	UOKHLPGHYSEBFO-UHFFFAOYSA-N	318.287	1.707	50	20	DDGD	
Cc1nccn1C[C@@H](C)CNC(=O)NNC(=O)OC(C)(C)C	157448979	SQZIEBHIVFHGCL-JTQLQIEISA-N	311.386	1.567	50	20	DDGD	
C[C@H](NS(=O)(=O)c1ccc(CCCl)cc1)c1nnc[nH]1	226502713	IFGWGXMOXRWAHI-VIFPVBQESA-N	314.798	1.626	50	20	DDGD	
Cn1cc(CNS(=O)(=O)c2ccc(CCl)cc2)nn1	389830316	YHODSPWZVTVTSC-UHFFFAOYSA-N	300.771	1.032	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)C(=O)N1CCCC1)C1CCCCC1	101515847	DJUWMEDKPZIFLP-LBPRGKRZSA-N	309.410	1.363	50	20	DDGD	
O=C(CCc1nc2ccccc2o1)NNC(=O)c1ccccn1	8273989	FUXFNPXWESLGKA-UHFFFAOYSA-N	310.313	1.617	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNC(=O)c2cccc(Cl)c2)C1	178829259	MBTQLMBWNQDONN-NSHDSACASA-N	323.780	1.360	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCOc1ccc(Cl)cc1	109996021	AYAAPGSBSLSTJV-UHFFFAOYSA-N	322.752	1.602	50	20	DDGD	
N#Cc1ccc(CNC(=O)NNC(=O)c2cccc(C#N)c2)cc1	103510452	HDOPWGBOJMHODJ-UHFFFAOYSA-N	319.324	1.574	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@H]1C[C@H]1C1CC1	176456420	CNWMEBSJDRJJLV-STQMWFEESA-N	318.373	1.658	50	20	DDGD	
C#CCOc1ccc(C(=O)NNC(=O)CNc2ccccc2)cc1	175103773	IAVTYLUAAGAWHQ-UHFFFAOYSA-N	323.352	1.572	50	20	DDGD	
COc1ncnc(OC)c1C(=O)NNc1ccccc1Cl	178977711	GVRFLELMIHDYHV-UHFFFAOYSA-N	308.725	1.904	50	20	DDGD	
CN(C)[C@H]1CCC[C@H](NC(=O)NNC(=O)OC(C)(C)C)C1	176611563	NFRGGPDNDXSMCA-QWRGUYRKSA-N	300.403	1.598	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)Cn2ccc3ccccc32)s1	170899832	XEUMTSBONQRZIK-UHFFFAOYSA-N	314.370	1.867	50	20	DDGD	
C[C@@H](CC(=O)NNc1cnccn1)C(=O)c1cccc(F)c1	174073064	OQCUCOQNPAUPHW-JTQLQIEISA-N	302.309	1.968	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccc(Oc2ccccc2)nc1	113424955	UQQIANWBUCEQMK-UHFFFAOYSA-N	314.345	1.197	50	20	DDGD	
COc1ncc(C)cc1NC(=O)NNC(=O)c1ccccc1	182005563	BFHDPARCTJCBIZ-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)[nH]1	177700003	SEDAQAZZHLSFTQ-NSHDSACASA-N	319.336	1.999	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)CCOC(C)C	63638971	KRCPHLAVLCIQFK-UHFFFAOYSA-N	310.350	1.037	50	20	DDGD	
O=C(NCc1ccccc1OC(F)F)NNC(=O)c1ccc[nH]1	122010571	BPJBKMPXMAANBX-UHFFFAOYSA-N	324.287	1.760	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](Cc2ccccc2)C1	124122124	XAFKJOXWWNDIKW-DZGCQCFKSA-N	303.406	1.497	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)Cc1ccc(Cl)c(F)c1	127766593	QINRNWQHUAFKKL-VIFPVBQESA-N	315.776	1.857	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C[C@@H]1C=CCC1	120356476	ZKXWHEQZTCQBJG-GFCCVEGCSA-N	304.346	1.578	50	20	DDGD	
CCc1oc2ccccc2c1C(=O)NNC(=O)NCCCOC	123173962	NAGVXESHIBLJPD-UHFFFAOYSA-N	319.361	1.976	50	20	DDGD	
CC[C@@H](C)[C@H](C(=O)NNC(=O)C(=O)NC1CC1)c1ccccc1	72937597	SUJMMCYAKNTHHG-RISCZKNCSA-N	317.389	1.242	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NNc2ccnc(F)c2)C1	182486021	ZARMYQPUINUKTR-VXGBXAGGSA-N	322.384	1.949	50	20	DDGD	
O=C(CCn1cnc2sccc2c1=O)NNc1ccccn1	181197146	ZSQPPRPYOQACIV-UHFFFAOYSA-N	315.358	1.386	50	20	DDGD	
C[C@H]1OCCN(C(=O)NNC(=O)c2cccc(C#N)c2)[C@@H]1C	120601111	RUGULCQYGULGRS-GHMZBOCLSA-N	302.334	1.022	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccc(C(C)(C)O)cc2)nn1	185683340	SUEOANFZTPEBQH-UHFFFAOYSA-N	315.377	1.839	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)[C@@H]1CCCO1)N(C)c1ccccc1	79266802	XXCNRHDLXKORLV-JSGCOSHPSA-N	320.393	1.021	50	20	DDGD	
C[C@H](CSc1ccc(F)cc1)C(=O)NNC(=O)CN(C)C	131682156	QSYHDUUPBNJVCD-SNVBAGLBSA-N	313.398	1.263	50	20	DDGD	
CCOC[C@@H](NC(=O)NNc1ccc(Cl)nn1)C(C)C	191824179	FAWIPHDTMCTBAL-SECBINFHSA-N	301.778	1.817	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H](C)Oc1ccc(C#N)cc1	46704667	BOTQVMATJVBVPD-LLVKDONJSA-N	304.350	1.456	50	20	DDGD	
N#C/C(=C\c1csnn1)C(=O)Nc1ccc(C(=O)O)cc1	45745699	UUEUYGODLLIVKH-WEVVVXLNSA-N	300.299	1.782	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cnc([C@@H]2CCCO2)s1	89821401	XDHZIMBNTIZSAE-VIFPVBQESA-N	321.362	1.101	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)nn1	132806645	MFOOKIVJWYLUNX-IJLUTSLNSA-N	317.393	1.625	50	20	DDGD	
CO[C@@H](C)CC(=O)NNC(=O)c1ccc(Br)s1	195428296	BYVFPBWBTQNXRL-LURJTMIESA-N	321.196	1.697	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccncc2F)c1	130665607	SKUSQLOUXVYOKW-UHFFFAOYSA-N	317.320	1.678	50	20	DDGD	
COC(=O)c1ccsc1N1CC[C@H](NC=C(C#N)C#N)C1=O	83015098	WHZASJXTPBGWJW-NSHDSACASA-N	316.342	1.161	50	20	DDGD	
COc1ccccc1-n1ncc(C(=O)NNc2cnccn2)c1C	192599980	HLFABUMTCVWRRN-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(-n2ccnc2)cc1	142550125	MXWAGIZCGSQJMV-UHFFFAOYSA-N	301.350	1.616	50	20	DDGD	
CC(=O)NNC(=O)/C=C\c1ccc(I)o1	255171307	XTPWDEFBLOXBFI-HYXAFXHYSA-N	320.086	1.065	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(C)CC(C)(C)CN1CCOCC1	269819767	JWSJJFHHLWKGQZ-SDNWHVSQSA-N	309.410	1.247	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNC(=O)c2ccccc2O)C1(C)C	274223270	QRNVXKZSKJUMDG-YPMHNXCESA-N	318.373	1.795	50	20	DDGD	
COC(=O)Nc1ccc(NC(=O)NNC(=O)CC2CC2)cc1F	273476892	KJAMOLDQFJSUAP-UHFFFAOYSA-N	324.312	1.957	50	20	DDGD	
COC[C@@H](NC(=O)NNc1c(C)cccc1F)[C@@H]1CCCO1	279739198	OMIFAXLCJPGYTM-OLZOCXBDSA-N	311.357	1.954	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cc(Cl)cc2c1OCC2	272869848	VFINNIUEVCEMPS-WUXMJOGZSA-N	306.749	1.944	50	20	DDGD	
COCCCn1ccc(NC(=O)NNc2nc(C)cc(C)n2)n1	271226127	CBHMKCQNDKUIOU-UHFFFAOYSA-N	319.369	1.475	50	20	DDGD	
CC[C@@H]1C[C@H](CC(=O)NNc2nc(C)cc(OC)n2)CCO1	272769336	HCGBDOMQVCLZHK-VXGBXAGGSA-N	308.382	1.832	50	20	DDGD	
CN1C(=O)C[C@H](NC=C(C#N)C#N)[C@H]1c1ccc(F)c(F)c1	270638472	XHJIRCSXKOGCBQ-DZGCQCFKSA-N	302.284	1.757	50	20	DDGD	
CC[C@@H](C)Oc1cc(C(=O)NNc2nccn(C)c2=O)ccn1	272288103	UVEPDJPUDYCTBV-SNVBAGLBSA-N	317.349	1.110	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNC(=O)CC(C)C)c(C)c1	274153124	LFZFJFQXJBKXOT-UHFFFAOYSA-N	321.377	1.526	50	20	DDGD	
Cc1cc2[nH]ncc2cc1NC(=O)C(=O)NNC(=O)C(C)(C)C	276897621	CWBVBVIODMWLKX-UHFFFAOYSA-N	317.349	1.003	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2cccc3ncccc23)CCCOC1	272615010	ANUVNHHQTOLESW-QGZVFWFLSA-N	313.357	1.813	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1nc(C2CC2)cs1	288328705	ZJUBDSPVDYPWLD-UHFFFAOYSA-N	310.379	1.153	50	20	DDGD	
C[C@H](CC(=O)NNc1cccc(F)n1)NC(=O)C1CCCC1	286542741	IZXZBFRYHVJNPY-SNVBAGLBSA-N	308.357	1.749	50	20	DDGD	
C[C@H]1CCC[C@H]1NC(=O)NNc1ccc(-n2ccnc2)nn1	287331742	KVUYIQFTGSJYNR-WDEREUQCSA-N	301.354	1.477	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ocnc2C2CC2)cc1	289522925	GBLYVTHUTJJLAQ-UHFFFAOYSA-N	314.345	1.734	50	20	DDGD	
CCOc1c(Cl)cccc1CC(=O)NN(C)CCOC	288559618	QCTBJTMVYDYGSE-UHFFFAOYSA-N	300.786	1.891	50	20	DDGD	
COC(=O)[C@H]1CC[C@H]1C(=O)NNc1cccc(F)c1[N+](=O)[O-]	286947875	FOHYZGVLLSLOLU-SFYZADRCSA-N	311.269	1.376	50	20	DDGD	
CCN(C)[C@@H](C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)c1ccccc1	293949629	QAABAUCTGZLQQI-AEGPPILISA-N	319.405	1.394	50	20	DDGD	
COc1ccc(OC)c(CCNC(=O)NNC(=O)C(C)(C)C)c1	299121441	VQNZHFMXCRDEAP-UHFFFAOYSA-N	323.393	1.623	50	20	DDGD	
O=C(NCCCOC[C@@H]1CCOC1)NNc1cccc(F)n1	805145372	QYHHKEOUUXDZPQ-NSHDSACASA-N	312.345	1.290	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1c(F)cc(F)cc1F	295349424	INUKFLCFZYMZHB-JTQLQIEISA-N	302.252	1.434	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@@H](O)c1ccccn1	803438413	PJSROCVKCCQDDI-AWEZNQCLSA-N	310.313	1.100	50	20	DDGD	
CSC1(C=NNC(=O)c2ccc(-n3cnnn3)cc2)CCC1	800808032	LKMJWUKZZPNZFI-UHFFFAOYSA-N	316.390	1.664	50	20	DDGD	
O=C(CCC(F)(F)F)NNc1ccc(-n2ccnc2)nn1	804954136	AUMMDTMSNGMPAV-UHFFFAOYSA-N	300.244	1.448	50	20	DDGD	
COc1cccc(NNC(=O)NCCc2nnc(C)s2)n1	291747218	CRXUQGTZHOKXDH-UHFFFAOYSA-N	308.367	1.119	50	20	DDGD	
O=C(CCc1ccccc1O)NNS(=O)(=O)C1=CCCCC1	295680428	CFABSJCPCBIGEJ-UHFFFAOYSA-N	324.402	1.733	50	20	DDGD	
Nc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)Nc1ccccc1	801987571	NXDPXZAJAOTRMW-UHFFFAOYSA-N	315.289	1.644	50	20	DDGD	
CSSCCNC(=O)CS[C@H]1CCS(=O)(=O)C1	803476498	YEZKFATUWUHIRA-QMMMGPOBSA-N	315.507	1.034	50	20	DDGD	
Cc1cc(C)nc(C(=O)NNc2ccc(-n3ccnc3)nn2)c1	804951851	BXHZCXHMSKOYMR-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)Nc1cc(F)cc(F)c1)N(C)C	801999504	GVDBIMKFPBYNIF-LBPRGKRZSA-N	314.336	1.704	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1ccc2c(c1)C(=O)OC2	808891442	VWDHOFKEIQTHME-UHFFFAOYSA-N	314.301	1.162	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H](C)Cc2cccc(F)c2)O1	294170184	IUYKGWCYRQSIJW-SUNKGSAMSA-N	308.353	1.719	50	20	DDGD	
CC(C)(C)CCCCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1	804185045	TVFVTCRKGUOQOA-NSHDSACASA-N	318.439	1.175	50	20	DDGD	
CC(=O)NNC(=O)CCC(=O)CCC(=O)c1ccc(C)s1	299211505	FYZBSLSSHFRICL-UHFFFAOYSA-N	310.375	1.536	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H](F)C(F)(F)F	290008642	QBFGVFOMGXJADA-SNVBAGLBSA-N	308.231	1.286	50	20	DDGD	
CCOc1cc(C(=O)NNC(=O)C(C)(C)c2ccccc2)on1	294689226	SIKIDISOBLLJIZ-UHFFFAOYSA-N	317.345	1.812	50	20	DDGD	
CC(C)CN1CC[C@H](CNC(=O)NNc2cccc(F)n2)C1	805197713	GXQJINKDDDTPBD-GFCCVEGCSA-N	309.389	1.825	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1	813365468	JKQPOOLQRHXHAO-ZDUSSCGKSA-N	318.377	1.486	50	20	DDGD	
Cn1nncc1NNC(=O)c1c[nH]nc1-c1ccc(Cl)cc1	816769569	NYWLNCGQZZCDSH-UHFFFAOYSA-N	317.740	1.616	50	20	DDGD	
Cc1cc(CC(=O)NNc2nc(-c3ccncc3)no2)on1	816915170	RGNNYWSQJILMAO-UHFFFAOYSA-N	300.278	1.114	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cnn(-c2ccccc2F)c1	819131519	HSQMVORXSSCLFR-UHFFFAOYSA-N	302.309	1.573	50	20	DDGD	
COc1cc(C(C)=NNC(=O)Cc2cn3ccccc3n2)on1	814863903	HQOFWJYCOGDFCL-UHFFFAOYSA-N	313.317	1.414	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)c2ccc(Cl)nc2)n1C	814809916	RGQDZXRNUNMCEG-UHFFFAOYSA-N	320.736	1.624	50	20	DDGD	
CCCCOc1ccc(C(=O)NNc2cnnn2C)cc1OC	816772331	VJORRPPMKRINAN-UHFFFAOYSA-N	319.365	1.760	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@H](CO)CN1CCCC1	819836553	CHUBBHMLVGFHRG-WDEREUQCSA-N	321.259	1.369	50	20	DDGD	
O=C(NN=C1CC[C@@H]1C1CCC1)c1ccc(-n2cnnn2)cc1	814755481	AYHRNNWPJVNXKO-CQSZACIVSA-N	310.361	1.958	50	20	DDGD	
CN(NC(=O)NCc1ccc(CC(N)=O)cc1)c1ccccc1	811922307	NKKOSCIJTDHEQZ-UHFFFAOYSA-N	312.373	1.565	50	20	DDGD	
CN(NC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1)C1CC1	819647882	SOKPUOCJLWNHSR-UHFFFAOYSA-N	318.352	1.430	50	20	DDGD	
COC(=O)N1CCC[C@@H](NC(=O)NNc2cccc(C#N)c2)C1	726717498	XZRKMSDRLNOLCP-CYBMUJFWSA-N	317.349	1.415	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CCc2ccn(C)n2)cc1	816596824	SLMZFBNFRXXQIM-UHFFFAOYSA-N	317.349	1.214	50	20	DDGD	
Cc1cccc2c1CN(C(=O)NNC(=O)[C@H]1CCO[C@H]1C)CC2	827273619	IJMUCGKQNCADGH-JSGCOSHPSA-N	317.389	1.519	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NCC[C@H](C)OC	726714943	YXMMNGIWZDBSJY-LBPRGKRZSA-N	323.393	1.383	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1nncc2ccccc12)C1CC1	824445805	APPMWSYZYIDMEU-VIFPVBQESA-N	315.402	1.537	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)cc1	822196095	WANCUILFXFAGQF-IPYPFGDCSA-N	313.357	1.521	50	20	DDGD	
COc1ccc(Cl)cc1NCCC(=O)NN(C)[C@@H](C)CO	823965396	MCJSYXSELZZTCS-JTQLQIEISA-N	315.801	1.494	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)[C@@H](C)Oc1ccccc1F	491624660	JQLPOCMWHFIVRS-GFCCVEGCSA-N	314.320	1.573	50	20	DDGD	
Cc1ccc(CN(C)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)s1	827307596	SWODDQDPCOEIAT-ZYHUDNBSSA-N	311.407	1.654	50	20	DDGD	
CCc1oc(/C=C(/C#N)C(=O)NCCCOC)cc1C(=O)OC	490944258	VRRSTXPIGSJDAO-FLIBITNWSA-N	320.345	1.688	50	20	DDGD	
CC(C)(C)C(=O)C(=O)NNC(=S)NCCc1cccs1	820168682	GLFYSKIGDAPTPR-UHFFFAOYSA-N	313.448	1.401	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCC2(CCO)CCCCC2)cn1	491079350	AKINOPJLRREPAK-OQLLNIDSSA-N	316.405	1.776	50	20	DDGD	
CN(C(=O)/C(C#N)=C\c1cnn(C)c1)[C@H](CO)CC(C)(C)C	491104254	NGLIRXPQDSZFSW-XMRSSTEGSA-N	304.394	1.583	50	20	DDGD	
CCOc1cccc([C@H](C)NCC(=O)NNC(=O)C(C)C)c1	828668962	AMUMGAJNVSTWRG-LBPRGKRZSA-N	307.394	1.539	50	20	DDGD	
CCOC(=O)NNC(=O)c1c(C(F)(F)F)nc2ccccn12	495995836	VMUAPXIDVBQKTA-UHFFFAOYSA-N	316.239	1.744	50	20	DDGD	
CCCCCc1ccc(C(=O)CCC(=O)NCB(O)O)cc1	585055613	CEERCERUEYKQOC-UHFFFAOYSA-N	305.183	1.510	50	20	DDGD	
Cc1nnsc1CNC(=O)/C(C#N)=C\c1ccc(O)cc1	490945090	ZUGKASQBYISARS-WDZFZDKYSA-N	300.343	1.776	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])C1(C(=O)NC2CC2)CCC1	729296207	LJTHSCDBRPFKIW-UHFFFAOYSA-N	318.333	1.487	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(CN2CCCCC2)o1	822547817	QQVXCMQSFLIWKN-UHFFFAOYSA-N	310.423	1.346	50	20	DDGD	
CC[C@@H]1CN(CC)CCN1C(=O)/C(C#N)=C/c1cnn(C)c1	490979403	YMFXUESLSDALKY-UJMHRVFCSA-N	301.394	1.270	50	20	DDGD	
CCOCCC1(c2nc(-c3cccc(B(O)O)c3)no2)CCC1	585053969	QHYPKBNEWAOJJS-UHFFFAOYSA-N	316.166	1.265	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1[N+](=O)[O-])c1cnccn1	734746644	JKTQWOKWYISICV-UHFFFAOYSA-N	315.289	1.304	50	20	DDGD	
O=C(O)NCCCC(=O)NNC(=O)c1cc2c(s1)CCC2	739956659	JYPOLXKEUWLATK-UHFFFAOYSA-N	311.363	1.046	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@H]3CC[C@@H]3C(N)=O)nc12	828357689	AAFSZCHDPCVECX-IUCAKERBSA-N	304.375	1.559	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1C[C@H](C)Oc2cc(F)ccc21	827888078	SUVFNRNCQPPGOS-JTQLQIEISA-N	309.341	1.216	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](c2ccccc2OC)C1	738338409	BNSKTHJQAZIEHY-QWHCGFSZSA-N	319.405	1.430	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(C)(C)NC(=O)OC(C)(C)C	491116918	RAHIPSGEYKHZKT-UHFFFAOYSA-N	315.414	1.873	50	20	DDGD	
CC[C@@H](O)[C@H](C)C(=O)Nc1cccc(NC(=O)NN(C)C)c1	907822660	PLAFCQCHPIHKAH-GXFFZTMASA-N	308.382	1.630	50	20	DDGD	
CC(C)N1CCCN(C(=O)/C(C#N)=C\c2cnn(C)c2)CC1	491049575	NHSFTTFJYBATHV-DHDCSXOGSA-N	301.394	1.270	50	20	DDGD	
O=C(NC[C@H]1[C@H]2c3ccccc3CC[C@H]21)c1ccc(B(O)O)cc1	584964164	IGXFFMAFGHEXSS-KSZLIROESA-N	321.185	1.072	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc2occ(C)c2c1	495536022	BIOYOSSJAZXDJS-UHFFFAOYSA-N	305.290	1.457	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cnsn1	839123307	WHZZGOCNALVLFF-UHFFFAOYSA-N	321.406	1.907	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCC2(CCCCC2)CC1	584940372	TVHZGQIBWBMBQQ-UHFFFAOYSA-N	301.195	1.553	50	20	DDGD	
O=C(NC[C@H]1CCOC2(CCC2)C1)NNC(=O)C1CCCC1	836426050	GAKIRYHTJHXARS-LBPRGKRZSA-N	309.410	1.856	50	20	DDGD	
CCc1oc(C=NNC(=O)[C@H]2CCCCO2)cc1C(=O)OC	834987000	RYKDASOVQNPZDG-CYBMUJFWSA-N	308.334	1.648	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cnn1CC(C)C	831593260	JUGMEPDZPIVOTA-NEPJUHHUSA-N	323.397	1.425	50	20	DDGD	
CCn1c(NNC(=O)c2cnc(C)[nH]2)nc2ccccc2c1=O	731894108	HOBHEWVWMYCUBK-UHFFFAOYSA-N	312.333	1.205	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ncccn2)c1C	735837028	DGUKLOZRGHCLKG-GFCCVEGCSA-N	314.345	1.322	50	20	DDGD	
O=C(NNC(=O)c1csc2cncn12)c1ccccc1O	735839982	MSQDLSRMJGENOC-UHFFFAOYSA-N	302.315	1.176	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)C1C[C@@H]2CCC[C@H](C1)C2=O	833255578	GQHXALSWLNHSDY-HNGCFSAESA-N	308.378	1.098	50	20	DDGD	
CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NNC(C)=O)O[C@@H](C)C2	730585574	YOUOEFKQURYRGR-WFBYXXMGSA-N	318.373	1.680	50	20	DDGD	
CCC[C@@H]1CCCC[C@H]1CNC(=O)NNC(=O)C(=O)NC1CC1	838723542	PIZPRTZTVNGRHM-NEPJUHHUSA-N	324.425	1.202	50	20	DDGD	
O=C(NN=Cc1cc(Cl)ccc1[N+](=O)[O-])N1CCOCC1	739410382	WTWHMYAGOCZKSZ-UHFFFAOYSA-N	312.713	1.624	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](O)c1cccnc1	732272470	HHLNTQYFYYVFEL-LBPRGKRZSA-N	322.708	1.820	50	20	DDGD	
CO[C@H](CNCc1ccccc1B(O)O)c1cccc(Cl)c1	585026220	DKZNLVQKXREOSF-MRXNPFEDSA-N	319.597	1.497	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC[C@H](C)N(C)C)c(F)c1	838685870	XHIFKYHACPWVLC-VIFPVBQESA-N	312.345	1.189	50	20	DDGD	
CC(=O)NCCN(Cc1ccc(C)s1)S(=O)(=O)CCl	831403859	HFOGWSGIZWMMMF-UHFFFAOYSA-N	324.855	1.521	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc(Cl)cc2O)n1	918359171	OOVQEJYROGYJKF-UHFFFAOYSA-N	305.721	1.824	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H](CC(C)C)C(N)=O)c1ccccc1	839674510	DALZRGWNYKDNDI-KGLIPLIRSA-N	319.405	1.475	50	20	DDGD	
O=C(NNC(=O)c1cn(-c2ccccc2)nn1)c1ccccc1	914708412	AHRWOSOJENYIMY-UHFFFAOYSA-N	307.313	1.342	50	20	DDGD	
CO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1cc2c(s1)CCC2	836608851	SJGDXKRESLUCGE-GHMZBOCLSA-N	323.418	1.748	50	20	DDGD	
O=C(CN1CC[C@@H]1c1ccccc1)NNC(=O)c1cccs1	747620371	ZVDDPXKKFWTQMI-CYBMUJFWSA-N	315.398	1.956	50	20	DDGD	
CC(C)C(=O)NNC(=O)C[C@H]1CN(Cc2ccccc2)CCO1	740738482	IRFGPVLDJSKQCJ-HNNXBMFYSA-N	319.405	1.081	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1	912578897	JQDYCPAGKCRFKT-RYUDHWBXSA-N	312.486	1.888	50	20	DDGD	
CCc1ccc(C(=O)NNC(=S)NC[C@@H]2CCOC2)cc1	749637894	FIVPBIDETUDRSZ-LBPRGKRZSA-N	307.419	1.394	50	20	DDGD	
CC1(C)[C@H](NC(=O)NNC(=O)C2CCCC2)[C@@H]2CCCO[C@H]21	745860593	XSYPXAPLTHGXHK-YNEHKIRRSA-N	309.410	1.711	50	20	DDGD	
COCCn1cc(C(=O)NNc2cccc3c2CCCC3)nn1	841409643	XPEDOFHIGKOTNQ-UHFFFAOYSA-N	315.377	1.560	50	20	DDGD	
CCSc1ccc(CC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	843658176	DUIALNWNXGVZAB-SMDDNHRTSA-N	322.430	1.914	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C[C@H]2CCCOC2)cc1	846375833	LWCNZEBSIMCKLP-CYBMUJFWSA-N	306.362	1.662	50	20	DDGD	
COc1ccc(C(=O)NN(C)C[C@@H](C)O)cc1OC1CCCC1	910151895	KMLBDDCBADCZOJ-GFCCVEGCSA-N	322.405	1.974	50	20	DDGD	
C[C@@H]1C[C@H](CNC(=O)NNC(=O)Cc2ccccc2F)[C@@H](C)O1	840435878	NFZAKEQDXOEOHA-NQBHXWOUSA-N	323.368	1.512	50	20	DDGD	
C[C@@H]1CN(C[C@@H](C)C(=O)NN=Cc2cscn2)C[C@@H](C)O1	918711605	SOHROSIQDHLEJP-IJLUTSLNSA-N	310.423	1.339	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)OCC(F)(F)F)C[C@H]1Br	912596859	JDLKNZDBWPFGPE-FBCQKBJTSA-N	319.077	1.480	50	20	DDGD	
CCc1ccccc1-n1cc(C(=O)NN(C)CCOC)nn1	840453999	TXXBQTIVONYEQO-UHFFFAOYSA-N	303.366	1.053	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@@H](C)NC(=O)NNC(=O)Cc1cccnc1	840419624	XPWRZFRMBPQSAM-BDJLRTHQSA-N	320.393	1.158	50	20	DDGD	
CO[C@H]1CCCCC1=NNC(=O)C(=O)Nc1ccc(C)cc1	915953997	IHOMOVAKQHLIBD-AWEZNQCLSA-N	303.362	1.995	50	20	DDGD	
CO[C@H](C=NNC(=O)COc1cccc(C)c1)[C@H]1CCOC1	841607847	ZTLBGFJPVIRIBL-DZGCQCFKSA-N	306.362	1.527	50	20	DDGD	
Cn1cc(CCC(=O)NNC(=O)c2cc(Cl)ccc2O)cn1	917523485	YNEWEEXYBJAODN-UHFFFAOYSA-N	322.752	1.173	50	20	DDGD	
C[C@H](CN1CCCCCC1)C(=O)NN=C1C[C@@H](C)n2ncnc21	841613946	JRCJQTGUCWBDFM-CHWSQXEVSA-N	318.425	1.575	50	20	DDGD	
Cc1nn(C(C)C)c(C)c1CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843661825	QIYONIPTULFZOU-CHWSQXEVSA-N	322.409	1.196	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC[C@@H](N)C(C)C)c1ccccc1	841944598	LXSPPCRFOSOHGC-ZIAGYGMSSA-N	306.410	1.494	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)/C=C(\C)COC	844280517	JKEWTDYZWWNJAI-FMIVXFBMSA-N	322.361	1.204	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)COc1ccc(C#N)cc1	749758235	QQSVTBIMJFAPGW-SNVBAGLBSA-N	306.391	1.231	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)CN(C)[C@@H]1CCSC1	846641524	HRCWXUPKPNKKGL-LLVKDONJSA-N	313.398	1.715	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cccc2c1OCCC2	844650014	GIINXGPOBIFEGF-JTQLQIEISA-N	312.391	1.367	50	20	DDGD	
Cn1c(NNC(=O)C[C@@H]2CCCC(=O)N2)nc2ccccc21	848380486	HOOHLTWMGDAMSH-JTQLQIEISA-N	301.350	1.075	50	20	DDGD	
NC(=O)CC1(CNC(=O)NNc2c(F)cc(F)cc2F)CC1	922929744	DRPQHHWCPUKFCT-UHFFFAOYSA-N	316.283	1.386	50	20	DDGD	
C=C[C@@H](CC)CC(=O)NNC(=O)c1ccc2c(c1)OCCO2	929585919	IGQPUMSLNRHUID-NSHDSACASA-N	304.346	1.821	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H](O)c1cccnc1	840545586	LADUBZUWNKQBJB-NSHDSACASA-N	321.768	1.825	50	20	DDGD	
CN(C)CCn1ccc(C(=O)NNc2cc(Cl)ccn2)n1	847677251	BUHOMCLPLJPAEX-UHFFFAOYSA-N	308.773	1.250	50	20	DDGD	
CC[C@H](C)Oc1cccc(NC(=O)NNC(=O)CCCN)c1	841082080	ZYZAJFGFHDKROP-NSHDSACASA-N	308.382	1.756	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)[C@@H]1C[C@H]1c1cccs1	841611703	YOLPEOZEUMFWLT-NWDGAFQWSA-N	305.403	1.966	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=C[C@@]1(OC)CCOC1	841607270	TVOYFAXNJUNPAP-INIZCTEOSA-N	306.362	1.535	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1ccc2c(c1)C(=O)NCC2	756619503	ZAIGIRRPLUTMKE-UHFFFAOYSA-N	316.361	1.315	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)NCCc2cccs2)c[nH]1	753165314	ARSMXEOSUSNPBW-UHFFFAOYSA-N	320.374	1.739	50	20	DDGD	
COc1ccc(CC(=O)NNc2cc(C)ccn2)cc1[N+](=O)[O-]	755850827	RLNDRNANVVBEOX-UHFFFAOYSA-N	316.317	1.993	50	20	DDGD	
O=C(NCC1CC1)NN=Cc1cc(Cl)cc([N+](=O)[O-])c1O	920831061	XPFWCADFGUEKHN-UHFFFAOYSA-N	312.713	1.997	50	20	DDGD	
COc1cccc2c1CCC(=NNC(=O)CN1CCCC1=O)C2	754917972	OWENGDGRXCJJLP-UHFFFAOYSA-N	315.373	1.279	50	20	DDGD	
CCC/C(C)=C/C(=O)NNC(=O)c1ccc2c(c1)OCCO2	920220194	PLAQRDULOCSRBU-PKNBQFBNSA-N	304.346	1.965	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H](C)N1C(=O)CCC1=O	751164583	BXMUWIRXVDKLKS-MRVPVSSYSA-N	322.273	1.046	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cccc(F)n1)[C@@H]1C[C@H]2CC[C@H]1C2	853212095	KLSOSJZWXREHNO-RHYQMDGZSA-N	320.368	1.989	50	20	DDGD	
CC(=O)N[C@H](CCC(C)C)C(=O)NNC(=O)CC(F)(F)F	854997269	BUCXLPUHWDPESX-SECBINFHSA-N	311.304	1.027	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cc1ccc(Cl)cn1)C1CC1	855097413	PSYUJBOPSOHXCH-QMMMGPOBSA-N	312.826	1.571	50	20	DDGD	
O=C(NNC(=O)c1ccc(C(F)(F)F)[nH]1)OCC(F)(F)F	856027675	VYZRNPARAIUFOY-UHFFFAOYSA-N	319.161	1.967	50	20	DDGD	
CNC(=S)N(C)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1	854922858	SXBCUPWBOHFSPU-UHFFFAOYSA-N	318.305	1.154	50	20	DDGD	
CN(Cc1cnccn1)C(=O)NC[C@]1(C)C[C@@H]1Br	856952428	CDESGYIFOUCLBU-JQWIXIFHSA-N	313.199	1.792	50	20	DDGD	
C=CCOc1cccc(NC(=O)NNC(=O)c2c[nH]nc2C)c1	756202951	AISRGAKOXFACQX-UHFFFAOYSA-N	315.333	1.749	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC(F)(F)C[C@@H]1C	858573145	ZOBANCQOQWMRAW-GUBZILKMSA-N	305.325	1.272	50	20	DDGD	
CC(CN1Cc2ccccc2C1=O)=NNC(=O)c1cc(C)[nH]n1	754965105	WRBFMHZMDYBSGJ-UHFFFAOYSA-N	311.345	1.480	50	20	DDGD	
Cn1nc(C(F)(F)F)cc1C(=O)NN=c1cc[nH]cc1Cl	857486937	RHRHJMSIJZJKEV-UHFFFAOYSA-N	319.674	1.666	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N(C)C[C@H](O)C2CC2)cc(C#N)n1C	755514900	FUBISGVHFSPHPM-CQMBDMNQSA-N	312.373	1.341	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)c2cn[nH]c2)[C@H]1c1ccccc1	858704196	NLFOZIQFUZQQDF-ZDUSSCGKSA-N	313.361	1.847	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1ccc(O)c(F)c1	755679489	PIBOAEHZUFSTRN-UHFFFAOYSA-N	305.265	1.004	50	20	DDGD	
COC[C@@H](NC(=O)NNc1ccc(Cl)cn1)[C@@H]1CCCO1	852288061	KGVJSKDROPMGPK-MNOVXSKESA-N	314.773	1.555	50	20	DDGD	
COC[C@@H](NCC(=O)NNC(=O)c1cccc(C)c1)C(C)C	754386655	WCRDLZJBWPOIAO-CQSZACIVSA-N	307.394	1.017	50	20	DDGD	
CCC(F)(F)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	854218457	XHGDSLLHSZHAOW-QMMMGPOBSA-N	304.268	1.786	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=Cc2cnc(C)n2C)c1	853271054	WZGJXFZHCIIWOP-UHFFFAOYSA-N	302.334	1.510	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(NC(=O)COC)cc1	755637745	IGUDRTIFYAILAV-JTQLQIEISA-N	322.365	1.470	50	20	DDGD	
CO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cc(C)cs2)C1(C)C	858273807	HPQZHAIUKIJRMN-GHMZBOCLSA-N	311.407	1.814	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)N[C@H]1CC=CCC1	767024327	CGJRFOWERBKHAA-NSHDSACASA-N	309.391	1.825	50	20	DDGD	
C[C@H](NNC(=O)[C@@H](O)[C@H](C)c1ccccc1F)C(F)(F)F	869376784	KPOUJAIYPWJFKD-FYBVGQRMSA-N	308.275	1.862	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1ccc(O)c(F)c1	768711619	ALEXPVSYPZUHNP-UHFFFAOYSA-N	318.304	1.631	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2c(C)nn(C)c2Cl)c1	862475695	UFELDNSPAVDSET-UHFFFAOYSA-N	312.782	1.827	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cccc(CN(CC)CC)c1	763440469	GVPLNZSZYVSYAS-UHFFFAOYSA-N	320.393	1.024	50	20	DDGD	
COC(=O)C[C@@H](O)CNC(=O)CCCC[C@@H]1CCSS1	863016353	QBVIZORGSUNWEP-GHMZBOCLSA-N	321.464	1.741	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)n[nH]1	869015636	UTMOFZAFWAEYGI-GXTWGEPZSA-N	322.409	1.249	50	20	DDGD	
Cc1ccsc1CNC(=O)NNc1nncc(N)c1Cl	1116300081	PIOROPOOASUKGR-UHFFFAOYSA-N	312.786	1.908	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@@H]1c1ccncc1	767570918	VJBPKGXRLMOEGK-CYBMUJFWSA-N	304.394	1.412	50	20	DDGD	
O=C(Cc1ccc(O)cc1)NCC(=O)NNc1ccccc1F	765605860	WDEURELJDXYMQW-UHFFFAOYSA-N	317.320	1.333	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCC2CC=CC2)cc1C	875798899	UARWEUSRIGDAQS-UHFFFAOYSA-N	317.389	1.979	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1OC	770587106	BIXGXUVTMWMBAB-CMPLNLGQSA-N	322.361	1.280	50	20	DDGD	
O=C(CSc1ncco1)NNC(=O)c1ccc(Cl)cc1	772242459	CYKXQCVTZXGCPQ-UHFFFAOYSA-N	311.750	1.881	50	20	DDGD	
COc1cccc(C)c1NC(=O)NNC(=O)c1cnccn1	772519938	ICWKMUCDHSYHQT-UHFFFAOYSA-N	301.306	1.260	50	20	DDGD	
NCCCCNC(=O)NNc1ccc(F)cc1Br	1117966667	LLSHZXMNLGSCTE-UHFFFAOYSA-N	319.178	1.953	50	20	DDGD	
CCC(CC1CCCCC1)=NNC(=O)[C@H](C)NS(C)(=O)=O	872351060	MSZVDCDLJQQAQL-NSHDSACASA-N	317.455	1.777	50	20	DDGD	
O=C(NCCn1ccc(C(F)(F)F)n1)NNc1cccnn1	873148846	IEKCOUWOVDRFCF-UHFFFAOYSA-N	315.259	1.018	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2c(C)cccc2[N+](=O)[O-])n[nH]1	772464334	RDCDHOQTIVVDMN-UHFFFAOYSA-N	303.278	1.010	50	20	DDGD	
CO[C@H](C)C(=O)NNc1ccccc1I	882141646	NZZJPQHFBZPGPP-SSDOTTSWSA-N	320.130	1.769	50	20	DDGD	
Cc1nnc2ccc(C(=O)NNc3cc(Cl)ccn3)cn12	778446913	JMNVYVMIRYXSCC-UHFFFAOYSA-N	302.725	1.843	50	20	DDGD	
C=CC[C@H](C(=O)O[C@@H](C)C(=O)NNC(=O)CC)c1ccccc1	778428286	QIUNFYKSBNPDNK-JSGCOSHPSA-N	318.373	1.835	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C12CCC(CC1)C2	772295174	JJVIMKHJEAPTFH-OPGSHWCFSA-N	310.394	1.692	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)C1CCOCC1)c1ccccc1	883076107	ULXKEHUGGLXWEK-CYBMUJFWSA-N	319.405	1.937	50	20	DDGD	
CCN(Cc1ccccc1C)C(=O)NNC(=O)c1cccnn1	883850019	OFAMSDGMCVBIRQ-UHFFFAOYSA-N	313.361	1.662	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NN=c2cc[nH]cc2)nc1C	780753547	HVZPHIIETUYUBY-UHFFFAOYSA-N	300.318	1.141	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CN(C(=O)OC(C)(C)C)C1CC1	887145815	SGZXKZRUECDXQT-UHFFFAOYSA-N	323.393	1.337	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cc(F)cc(F)c2)nn1	783951834	VQQPOMQPMQCQBA-UHFFFAOYSA-N	307.260	1.145	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1cnn(C(C)(C)C)c1C	787157608	LFTDFTJQGNCOPA-ZDUSSCGKSA-N	324.425	1.838	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2(O)CCSCC2)c1	781034774	PHZFGDYYZWNNDK-UHFFFAOYSA-N	310.375	1.174	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1ccc2cc[nH]c2n1	782854253	QWOYZDSQEUIRRR-UHFFFAOYSA-N	324.340	1.662	50	20	DDGD	
Cc1conc1NC(=O)C(=O)NNc1ccc(C#N)c(Cl)c1	785095336	SRFIXDJJLHWPPS-UHFFFAOYSA-N	319.708	1.590	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cc2c(C)noc2C)c1	780791554	LLJRTDMCJDXUNP-UHFFFAOYSA-N	303.318	1.764	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C(=O)Nc2cnc(C)s2)c1	785234578	NKEJJDYFSVHVHJ-UHFFFAOYSA-N	324.337	1.681	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C(C)c1nccnc1C	783507231	DRPMZGDKCSKAAW-UHFFFAOYSA-N	313.361	1.746	50	20	DDGD	
O=C(Cc1ccn(CC(F)(F)F)n1)NNc1ncc(F)cn1	897286046	GQJXGVYEOWNATI-UHFFFAOYSA-N	318.234	1.060	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@H]1CCCN1c1ncccn1	781819874	JPEDZTKHAPOKES-SNVBAGLBSA-N	319.756	1.032	50	20	DDGD	
O=C(NCCOCc1ccccc1)NNc1ncncc1Cl	781003692	BONQLPRSJGAWRD-UHFFFAOYSA-N	321.768	1.973	50	20	DDGD	
CO[C@H](CNC(=O)NNc1ncncc1Cl)C(F)(F)F	780987997	KOMGRIBBJBUJTC-ZCFIWIBFSA-N	313.667	1.333	50	20	DDGD	
CNc1cc(C(=O)NNc2cccc(OC)n2)cc(Cl)n1	780774161	JPGSQMZUQXDKTF-UHFFFAOYSA-N	307.741	1.937	50	20	DDGD	
COC(=O)c1ccc(/C=C(\C#N)S(=O)(=O)NC2CC2)cc1C	899367776	AMPRXSNHVBELNQ-MDWZMJQESA-N	320.370	1.728	50	20	DDGD	
CC1(C)CC(C(=O)NNC(=O)Cn2cnc3ccccc32)C1	794613245	KGNNDXZQLBXLOV-UHFFFAOYSA-N	300.362	1.620	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)c2cc(S(N)(=O)=O)oc2C)c1	798334623	KIJFWSKHZABTOJ-UHFFFAOYSA-N	323.374	1.609	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1cc(Cl)ccc1F	790052255	FTRYFKLPGMRLNM-UHFFFAOYSA-N	309.750	1.382	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cnc(CC(C)C)nc2)n1	791949162	AENFWYGYNIJGCA-UHFFFAOYSA-N	317.353	1.622	50	20	DDGD	
CNC(=O)NNS(=O)(=O)c1cccc(-c2ccccc2)c1	795301905	IJRIXWXUZXLUOH-UHFFFAOYSA-N	305.359	1.476	50	20	DDGD	
CC(C)n1cnc(C(=O)NNC(=O)c2cc(Cl)ccc2O)c1	799098450	JGVPGQCLEUXMHJ-UHFFFAOYSA-N	322.752	1.898	50	20	DDGD	
CC(COC(C)C)=NNC(=O)c1nn(C)c(=O)c2ccccc12	799869647	GJGSGDXXZYTYLH-UHFFFAOYSA-N	316.361	1.464	50	20	DDGD	
O=C(NNc1cc(Cl)cc(Cl)c1)[C@@H]1CCS(=O)(=O)C1	791729904	PAFZZXPXLBUKMJ-SSDOTTSWSA-N	323.201	1.871	50	20	DDGD	
O=C(NN=Cc1cnc2ccccc2n1)c1ccc(O)c(O)c1	794557118	PZAHSHQBOBVDSO-UHFFFAOYSA-N	308.297	1.805	50	20	DDGD	
C[C@H](O)c1ncc(C=NNC(=O)c2ccc(O)c(O)c2)s1	794559272	UBHFVDQPPQYVGB-ZETCQYMHSA-N	307.331	1.372	50	20	DDGD	
Cn1cc(C(=O)NN=C2CCC[C@H](c3ccnn3C)C2)cn1	790296185	CUBJIXZUXDRZOG-NSHDSACASA-N	300.366	1.597	50	20	DDGD	
COCC(=O)NN=C1CC(C)(C)Oc2ccc([N+](=O)[O-])cc21	794918481	IFOWNZOAJWERJH-UHFFFAOYSA-N	307.306	1.623	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc2nnc(C(F)F)n2c1	1319184357	NLCZLHNUJKGRJH-UHFFFAOYSA-N	312.280	1.021	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)[C@H]2CCCN2C2CC2)nn1	1320970280	KDAAVPRZMSGTLO-GFCCVEGCSA-N	303.410	1.844	50	20	DDGD	
CC(C)[C@H](C)N(C)C(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1328612031	CIKNBERUWLSILE-CWSCBRNRSA-N	319.243	1.779	50	20	DDGD	
O=C(c1ccc(F)c(Br)c1)N1CC[C@H](B(O)O)C1	585069347	NIPLOGPZCUBPEY-QMMMGPOBSA-N	315.935	1.277	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc2nc(C)oc2c1	1326177776	QRSYTQUBUBBAKT-MRVPVSSYSA-N	311.363	1.492	50	20	DDGD	
O=C1CCc2cc(S(=O)(=O)NCC(Cl)Cl)ccc2N1	1329423458	ZMHYRTMTYOLJHY-UHFFFAOYSA-N	323.201	1.653	50	20	DDGD	
CC(C)C1CCC(CNC(=O)NNC(=O)c2cn[nH]c2)CC1	1329760619	YRWNDOOHGLDUJO-UHFFFAOYSA-N	307.398	1.816	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2cncc(Br)c2)CO1	1326081957	CVKFGGMTAWOWGS-SFYZADRCSA-N	300.156	1.712	50	20	DDGD	
N#C/C(=C/c1cn(Cc2cccnc2)nn1)C(=O)C1CCOCC1	1321543163	XXVRNOQMVVLBAX-NVNXTCNLSA-N	323.356	1.624	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@@H]2CCC[C@@H](F)C2)c1	1332070146	KPKNQJDHECDHGN-CHWSQXEVSA-N	323.368	1.985	50	20	DDGD	
Cc1nc2cc(NC(=O)C(=O)NNC(=O)C(C)C)ccc2s1	1336902739	FOZOWVQYAPMXPH-UHFFFAOYSA-N	320.374	1.347	50	20	DDGD	
CC[C@@H](F)C(=O)NNC(=O)c1cc(-c2ccccc2OC)[nH]n1	1337151215	JEJWLOZBGCWSSN-SNVBAGLBSA-N	320.324	1.594	50	20	DDGD	
Cc1ccccc1C(F)(F)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	1261501119	QCRFOQLFZQIPIM-GHMZBOCLSA-N	312.316	1.659	50	20	DDGD	
CCN(CCO)NC(=O)c1cc2c(nc1O)CCC(C)(C)C2	1348952798	BGNVVJIQNFDAMO-UHFFFAOYSA-N	307.394	1.261	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@H](C(=O)NNc2ccc(C(=O)O)c(F)c2)C1	1601143849	BTWYCAIVCCEAQD-BDAKNGLRSA-N	323.324	1.259	50	20	DDGD	
Cc1ccc(NNC(=O)C2(C(=O)C3CC3)CC2)cc1C(=O)O	1600462501	JYUNWOCOOWJQEF-UHFFFAOYSA-N	302.330	1.896	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H]2C[C@@H](C(=O)O)C2)c1	1600388920	PJNDMFMWQOQKSY-PHIMTYICSA-N	321.402	1.732	50	20	DDGD	
O=C(O)[C@H](CF)NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	1601649623	LEOZKJTWEXIEIG-CIOUSYIGSA-N	308.147	1.479	50	20	DDGD	
Cn1c(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)cccc1=O	1600908597	DHGWWCTWCKVGPV-UHFFFAOYSA-N	318.241	1.211	50	20	DDGD	
Cc1cc(C(=O)NN=c2cc[nH]cc2)cc(C)c1-c1nn[nH]n1	1605621860	NECPGCUSLDZYDY-UHFFFAOYSA-N	309.333	1.057	50	20	DDGD	
CCC(=O)N1CCC[C@@H](C(=O)NNc2ccccc2C(=O)O)C1	1604859397	FLSIEUOPKRMNKI-LLVKDONJSA-N	319.361	1.477	50	20	DDGD	
Cc1cc(C)n([C@@H](C)C(=O)NNc2ccc(CC(=O)O)cc2)n1	1607629897	RMBVYQYMHHINFY-LBPRGKRZSA-N	316.361	1.831	50	20	DDGD	
CO[C@H](C=NNC(=O)c1cccc(-c2nn[nH]n2)c1)CC(C)C	1609309834	YRUVSSIRXRVKJN-ZDUSSCGKSA-N	316.365	1.643	50	20	DDGD	
CN(C)c1cccnc1C(=O)NNc1ccc(C(=O)O)cc1F	1606061953	JIEPLQPNYVQXAV-UHFFFAOYSA-N	318.308	1.742	50	20	DDGD	
O=C(CNc1ccccc1F)NN=C1C[C@H]2C[C@H](C(=O)O)[C@H]1C2	1608342973	MTSALQFKLOGAPA-MXWKQRLJSA-N	319.336	1.841	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2ccc(C(=O)O)c(F)c2)cn1	1601091777	DGYXHCMFSSKAJJ-UHFFFAOYSA-N	300.249	1.547	50	20	DDGD	
O=C(NNC(=O)c1ccsc1C(=O)O)OCC(F)(F)F	1608479347	AZAVMULOGOUNRW-UHFFFAOYSA-N	312.225	1.380	50	20	DDGD	
O=C(NCC1CC1)C(=O)NNc1ccc(C(=O)O)c(Cl)c1	1601479004	HEFMJIVHSHVRGD-UHFFFAOYSA-N	311.725	1.008	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@@H]2CCc3nccn3C2)ccc1F	1602286872	RZARGSHGMZOFDH-SECBINFHSA-N	318.308	1.426	50	20	DDGD	
O=C(O)Cc1ccc(NC(=O)NNC(=O)c2ccc[nH]2)cc1	1610793396	UGPXMQYYFJIBDW-UHFFFAOYSA-N	302.290	1.108	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@H]2CCCO[C@H]2c2ccnn2C)CO1	1549315437	NCRZRLTWSPNUDK-SCDSUCTJSA-N	306.366	1.169	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1ccnc(C(=O)O)c1	1610532102	KOFZLZIWZXRMQK-UHFFFAOYSA-N	314.301	1.555	50	20	DDGD	
CO[C@@H](C(=O)NNc1cccc(C(=O)O)c1)c1ccc(O)cc1	1610221226	BKIWJDJPTOZEEE-CQSZACIVSA-N	316.313	1.921	50	20	DDGD	
O=C(NNC(=O)c1ccoc1)Nc1cc(C(=O)O)ccc1F	1610699975	IWVZMPIZZXDXES-UHFFFAOYSA-N	307.237	1.583	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@H]1C=NNC(=O)c1ccc[nH]1	1552451591	FKYAGRRWRRSQCA-AAEUAGOBSA-N	301.350	1.632	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C[C@@H]2CNc3ccccc32)n[nH]1	1579589615	KZRSVNYYPUWYNV-LLVKDONJSA-N	313.361	1.007	50	20	DDGD	
C[C@@H](CC(=O)O)NC(=O)NNC(=O)Nc1ccc(Cl)cc1	1589001565	MNBXJRAEMOSQQE-ZETCQYMHSA-N	314.729	1.539	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2N1)c1ccccc1F	1580733031	MELZXWHTYHXCOS-DFBGVHRSSA-N	319.380	1.898	50	20	DDGD	
N[C@@H](C(=O)NNc1ncc(Cl)cn1)c1c(F)cccc1F	1580114799	BSFYEQBOVOBGOL-SNVBAGLBSA-N	313.695	1.551	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cc[nH]n2)C1	1841699886	UMDUDSMWJBUVKF-JTQLQIEISA-N	310.785	1.244	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[C@@H](F)C1	1593162176	LEKXBZTZRXSZRX-GHMZBOCLSA-N	304.329	1.838	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1ccc2cnn(CC(=O)O)c2c1	1596864788	WQCLOSRUEXMBNT-LUAWRHEFSA-N	314.301	1.503	50	20	DDGD	
C=CCC(F)(F)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843366060	ZGORAHTYISXKSL-SECBINFHSA-N	324.730	1.936	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCc2cccnc21	1593162637	VBVVKKRIFHEZGH-ZDUSSCGKSA-N	321.344	1.435	50	20	DDGD	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNc1ccc(OC(F)F)cc1	1594228140	KRZASHBUHUEZJD-UHLUBPPHSA-N	300.261	1.842	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNc2ncccc2[N+](=O)[O-])c1	1594288496	SVBMKRRJURXDJW-UHFFFAOYSA-N	316.273	1.753	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Cc1ccccc1C(=O)O	1594415954	XMWUDNCOFMCESS-UHFFFAOYSA-N	312.325	1.697	50	20	DDGD	
CCO[C@H]1C[C@H](NC(=O)NNc2ccc(CC(=O)O)cc2)C1	1596986743	IMGAIEPBHWLYCK-JOCQHMNTSA-N	307.350	1.507	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1	1590797239	MRAHDUJKTITBFP-FPLPWBNLSA-N	302.269	1.388	50	20	DDGD	
CC(=NNC(=O)c1cccc(C(=O)O)c1)c1ccc(O)cc1O	1776094936	UWGNWNFCZPEMPM-UHFFFAOYSA-N	314.297	1.950	50	20	DDGD	
COc1ccc(C)c(C=NNC(=O)c2cnccn2)c1C(=O)O	1776029326	GYUWAUMNSYQVGO-UHFFFAOYSA-N	314.301	1.256	50	20	DDGD	
Cn1nnc2cc(C=NNC(=O)c3ccc(C(=O)O)cc3)ccc21	1776099466	IRSHSSYWHDDQIZ-UHFFFAOYSA-N	323.312	1.430	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1cc(C(=O)O)c(Cl)s1	1777033742	IMLRRMMSHYTINS-CLTKARDFSA-N	320.779	1.856	50	20	DDGD	
CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Cl)[C@H]2C1	1787445777	PNCMZGDNMKDJER-ZPFDUUQYSA-N	320.792	1.301	50	20	DDGD	
Cc1nnc(NNC(=O)c2ccc(Cl)c(Cl)c2)[nH]c1=O	11548046	GICTYBKISAJVDU-UHFFFAOYSA-N	314.132	1.537	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1cccc(F)c1	16069723	YDRJOZFSUKZJEO-UHFFFAOYSA-N	306.268	1.805	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1ccc(F)c(F)c1	161765532	IFIGZYUTEIIMEZ-UHFFFAOYSA-N	308.313	1.991	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NNc1ncnc2nc[nH]c12	161804718	HGGWUZJPVGJSIF-IUCAKERBSA-N	314.374	1.970	50	20	DDGD	
N#Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)[nH]2)c1	151833802	KQWJJQIOESHSMP-UHFFFAOYSA-N	320.312	1.943	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1cccc(C)c1Br	152150370	XCFNYKUFAMYERD-UHFFFAOYSA-N	323.168	1.307	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)Cc1cc(C)ccc1C	156131958	SLMUFZAQBZPFGY-UHFFFAOYSA-N	319.405	1.298	50	20	DDGD	
C=C(C)CN1CCC(NC(=O)NNc2ccc(OC)cn2)CC1	157204992	SRMZITWQNFDKQA-UHFFFAOYSA-N	319.409	1.757	50	20	DDGD	
COc1ccc(Cl)cc1NC(=O)NNC(=O)CN(C)C	155421424	CDWVFASWUBTOPG-UHFFFAOYSA-N	300.746	1.063	50	20	DDGD	
CNC(=O)COc1cccc(CC(=O)NNc2ccccc2)c1	154731930	IMBSQZIPMDNWCJ-UHFFFAOYSA-N	313.357	1.497	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2	154899239	WSOFSUSRCBYJCM-RTXFEEFZSA-N	307.325	1.019	50	20	DDGD	
C#CCOCCC(=O)NNC(=O)c1cc2c(s1)CCCCC2	159451270	QKBZPIPELKXIFZ-UHFFFAOYSA-N	320.414	1.818	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1cc(C(=O)OC)c(C)o1	209221288	KEAJQRCDUQNLBI-XFFZJAGNSA-N	306.318	1.434	50	20	DDGD	
CSCCCNC(=S)NNC(=O)CNc1ccccc1	7352109	VHHIZZKPXGSPHU-UHFFFAOYSA-N	312.464	1.347	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc([N+](=O)[O-])cc2F)n1	54151561	PNKINNRKQMKBBG-UHFFFAOYSA-N	305.269	1.898	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)COC1CCCCC1	106287080	KOUMLDPOULAOHJ-UHFFFAOYSA-N	320.389	1.822	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(=O)n(C)c1	172112548	DHKPGPRMDVPHPH-UHFFFAOYSA-N	308.769	1.690	50	20	DDGD	
C[C@@H](O)CC(C)(C)CNC(=O)NNc1cncc(Cl)n1	175553387	ZHNGLKRVQFIRKT-MRVPVSSYSA-N	301.778	1.553	50	20	DDGD	
Cc1ccc2ncc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)n2c1	178766038	MWCWROGQCCBGTJ-COSNYCCFSA-N	310.357	1.845	50	20	DDGD	
CCCOCC(=O)N/N=c1\nc(-c2ccccn2)[nH]c(C)c1C	114892721	PZWDPFCQFCXAFM-UHFFFAOYSA-N	315.377	1.447	50	20	DDGD	
CC(C)=CC(=O)NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1	111055269	FQNOWLYJMQOBJI-UHFFFAOYSA-N	304.354	1.284	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCOCc1ccccc1	177573508	WMZZICJZHIYFRP-UHFFFAOYSA-N	307.394	1.970	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2cccnc2Cl)c1	15877143	ZVUDNCHRHVQZFT-UHFFFAOYSA-N	319.748	1.883	50	20	DDGD	
CCC1(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CCC1	177636134	ACYZFCRXWBQZRN-UHFFFAOYSA-N	314.349	1.004	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNC(=O)NCC2CC2)cc1	65197476	BOAXKRFYALIHKT-UHFFFAOYSA-N	303.362	1.698	50	20	DDGD	
Cc1cc(CC(=O)NNC(=S)Nc2cccc(C)c2C)[nH]n1	17514193	XQBSXQACJQTJQB-UHFFFAOYSA-N	317.418	1.895	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@@H](c1ccccc1)C(C)C	66700186	IBRWIEMDNJGHGR-CQSZACIVSA-N	307.394	1.793	50	20	DDGD	
C=C(C)CNC(=S)NNC(=O)c1nnc(-c2ccccc2)o1	63793925	WYERLWVEHGXNLW-UHFFFAOYSA-N	317.374	1.422	50	20	DDGD	
CC[C@@H](NC(=O)NNc1nc2ccccn2n1)[C@@H]1CCCO1	189678827	WKHMJRHEPFVMLZ-MNOVXSKESA-N	304.354	1.313	50	20	DDGD	
CS[C@@H](C)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	32486656	OQVRBCHMCNTWPM-BDAKNGLRSA-N	300.355	1.492	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H](C)c2nc(C)cs2)nn1	183958147	QOVLOOVIBXDWCQ-MRVPVSSYSA-N	306.395	1.980	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNC(=O)NCCc1cccs1	189135138	WECWUQBPDMTUOB-UHFFFAOYSA-N	306.391	1.582	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2c[nH]c3ncccc23)n1	125032405	RRIVVVLNLYWZBX-UHFFFAOYSA-N	312.333	1.356	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H]2C[C@]2(C)C(C)C)c1O	186525145	CLCMXCSHWGAOBE-MEDUHNTESA-N	306.362	1.844	50	20	DDGD	
CC[C@@H]1C[C@H](C(=O)NNC(=O)CNc2ccc(C)cc2)CCO1	182972946	UNCBSILDJPHKOA-UKRRQHHQSA-N	319.405	1.760	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)cn1	74686213	WDXUVXVKQYYVGT-UHFFFAOYSA-N	316.361	1.360	50	20	DDGD	
O=C(CN(CCO)C1CCCCC1)NNC(=O)c1ccccc1	182664453	UPQDWYPTUCIFAE-UHFFFAOYSA-N	319.405	1.075	50	20	DDGD	
CN(NC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)C(N)=O	181088691	PUFMHKNURRSZAT-ZJUUUORDSA-N	301.268	1.851	50	20	DDGD	
CC(C)n1nccc1NC(=O)C(=O)NNc1cccc(F)c1	120798520	IDBREPNBEYXHPS-UHFFFAOYSA-N	305.313	1.685	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCC[C@@H](C)N2CCCCC2)n1	182664182	HLPXRLOCLRJDRX-CQSZACIVSA-N	320.441	1.984	50	20	DDGD	
COCCCOCC(=O)NNc1cccc(Br)c1	181478827	HRZVBGZFAPOZPX-UHFFFAOYSA-N	317.183	1.945	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C[C@H]1CCCO1	46764845	SWVRCBQGPZDKQD-WDEREUQCSA-N	310.325	1.310	50	20	DDGD	
NNC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1	70160709	ITMOBZVIWFZUJN-UHFFFAOYSA-N	304.733	1.940	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C[C@H]2CCCOC2)c1	194529559	BAFFVSBAFKNJPU-CYBMUJFWSA-N	317.414	1.802	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)NCc1ccco1	194473285	UFRQYHORDGLWME-UHFFFAOYSA-N	307.281	1.328	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N(C)C)c(C)n1-c1ccccn1	194919686	ODIAYZSASUPADC-UHFFFAOYSA-N	301.350	1.405	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCOc2ccc(C=O)cc2)o1	84374032	LAQHKWUBUWPDBY-UHFFFAOYSA-N	316.313	1.631	50	20	DDGD	
Cn1ccc2cccc(NC(=O)NNC(=O)Cc3cccnc3)c21	190045709	VOVOHRUKBNZHIK-UHFFFAOYSA-N	323.356	1.969	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)C1(O)CCCCC1	86582973	SBMDDNYSRQFBSL-UHFFFAOYSA-N	304.390	1.852	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1cccc(CS(C)(=O)=O)c1	194726466	NPFGIZOGFIKJKN-GXDHUFHOSA-N	322.386	1.291	50	20	DDGD	
COc1cc(C=NNC(=O)c2cc(C)n[nH]2)cc(OC)c1O	252640448	YUCZOMKYVSHLIH-UHFFFAOYSA-N	304.306	1.205	50	20	DDGD	
CC[C@@H]1CN(C(=O)NNC(=O)c2ccccc2OC)C[C@H](C)O1	264870021	RAXCJLVCCTWACK-NWDGAFQWSA-N	321.377	1.549	50	20	DDGD	
COc1cc(OC)c(NC(=O)NNC(=O)C2CC2)cc1Cl	266563887	WETFEWFHDAVHMW-UHFFFAOYSA-N	313.741	1.920	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNC(=O)C1CCC1)c1cccnc1	267594646	KDAPPSFZCIRUFO-AWEZNQCLSA-N	304.394	1.952	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)c1ccc(Cl)cc1O	269502202	RDAUJJPJPSYXMG-SNVBAGLBSA-N	302.783	1.948	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCS1)c1ccc(Cl)cc1O	266564343	NYFRRJABVVOTPR-SNVBAGLBSA-N	300.767	1.702	50	20	DDGD	
Cc1c(NNC(=O)N[C@H](C)[C@@H]2CCOC2)cccc1[N+](=O)[O-]	266729877	CQZGXTKNOCXRSC-GHMZBOCLSA-N	308.338	1.954	50	20	DDGD	
CC(C)NC(=O)Nc1ccccc1C(=O)NNC(=O)C1CCC1	264747970	KPQDSIUOHAWRBM-UHFFFAOYSA-N	318.377	1.778	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@H]1CCN(c2ccccc2F)C1	368312687	OZNVLLQXJDHFLR-XSNHNAGMSA-N	303.337	1.965	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)[C@H]1CCCCS1(=O)=O	275081188	FGBOXJGVNVDPIP-SECBINFHSA-N	303.771	1.145	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNC(=O)c1ccc2ccccc2n1	275249981	HCBRBQHLPOKWQS-UHFFFAOYSA-N	315.329	1.338	50	20	DDGD	
CCOC[C@H](NC(=O)NNC(=O)c1ccccc1OC)C(C)C	276916264	OAOFNAUDGZGFEM-ZDUSSCGKSA-N	323.393	1.700	50	20	DDGD	
CC(=O)Nc1ccc(C)c(NC(=O)NNC(=O)C2CCC2)c1	272384066	UVHFEZWREKEMCA-UHFFFAOYSA-N	304.350	1.906	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ccccc1O[C@@H]1CCOC1	272584893	MXQHUEXUJMBVBW-GFCCVEGCSA-N	319.361	1.807	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccn(CC(F)(F)F)n1	273429668	KWBJZULRHHNLPD-UHFFFAOYSA-N	307.276	1.644	50	20	DDGD	
COC(=O)NNC(=O)c1cc(OC)c(OC(F)F)c(OC)c1	274279231	JIYJHKYYJAOUIE-UHFFFAOYSA-N	320.248	1.306	50	20	DDGD	
COC1(CC(=O)NNC(=O)COc2ccc(C)cc2)CCC1	276733725	VDQUEDWUDRDPEE-UHFFFAOYSA-N	306.362	1.480	50	20	DDGD	
CC(C)O[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc[nH]2)C1(C)C	274493346	KMNAKMLETQTLET-NWDGAFQWSA-N	308.382	1.551	50	20	DDGD	
C[C@H]1CCC[C@@H]1CC(=O)NNC(=O)COc1ccccc1O	274455825	NOFGYUJSPIZOEW-NWDGAFQWSA-N	306.362	1.745	50	20	DDGD	
CN(C)[C@@H](C(=O)NNC(=O)NCC(F)(F)F)c1ccccc1	281191072	KGXPSUQFCBDDIN-SNVBAGLBSA-N	318.299	1.182	50	20	DDGD	
C[S@](=O)C1(CNC(=O)NNc2cc(Cl)ccn2)CCC1	281173668	DNJRTVHNUFMQGN-FQEVSTJZSA-N	316.814	1.662	50	20	DDGD	
COCCOc1ccc(Cl)cc1C(=O)NN(C)C(=O)OC	286518210	XJQNJNMKDQXQDS-UHFFFAOYSA-N	316.741	1.708	50	20	DDGD	
COC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)c1ccc(Cl)cc1	285324259	ZZFHJVDJYMTRSC-MNOVXSKESA-N	310.737	1.300	50	20	DDGD	
CCCCCOCC(=O)NNc1ccc(-n2ccnc2)nn1	286788947	XWXUKCJROOSUJT-UHFFFAOYSA-N	304.354	1.312	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H]1CCc2cnn(C)c2C1	281582703	SNXRXQDBXWHEER-GFCCVEGCSA-N	312.373	1.295	50	20	DDGD	
C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)NNc1ncncc1F	293181621	YMDQQOGVDCKUHG-UTUOFQBUSA-N	324.404	1.608	50	20	DDGD	
COC[C@H](C)n1ccc(NC(=O)NNc2cccc(F)n2)n1	806443728	SOAVGKYMECKGKM-VIFPVBQESA-N	308.317	1.773	50	20	DDGD	
C#Cc1cncc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c1	806341471	HUZNLTJNODHHAB-UHFFFAOYSA-N	318.336	1.548	50	20	DDGD	
O=C(NCCc1ccc([N+](=O)[O-])cc1)NNc1ncccc1F	804977311	PFOICVZKWACVJY-UHFFFAOYSA-N	319.296	1.998	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@H]1c1cccnc1	805747141	UDVACCLNNFJENL-HIFRSBDPSA-N	318.421	1.801	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)[C@@H](C)N2CCSCC2)c1	293829875	DOIIYNHAKYNWSE-LLVKDONJSA-N	322.434	1.525	50	20	DDGD	
CC(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)CC2CC2)cc1	294275836	VDYDMMJKBINYJV-UHFFFAOYSA-N	324.402	1.430	50	20	DDGD	
CCn1nc(C)c(CC(=O)NN(C)C(=O)OC(C)(C)C)c1C	297095977	DYAJLAZXPCMKOK-UHFFFAOYSA-N	310.398	1.960	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)N[C@H]2CC2(C)C)cc1	299066873	MMQSVQHXPHJSKJ-LBPRGKRZSA-N	307.350	1.203	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cnc[nH]2)c1C	299630936	KYYDIXJZVUQCFL-NSHDSACASA-N	302.334	1.255	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)C(F)(F)C1(O)CCCC1	296994871	QLPUDGSYJYRHOZ-UHFFFAOYSA-N	307.247	1.743	50	20	DDGD	
CC1=C(C(=O)NCC(Cl)Cl)[C@@H](C)n2ncnc2N1C	297105599	NWFNYHNQXZRTLK-SSDOTTSWSA-N	304.181	1.483	50	20	DDGD	
C=Cc1ccc(CCNC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	298124809	YIRXWAYWUWDOFM-WFASDCNBSA-N	317.389	1.770	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2nc(C3CC3)cs2)c1	807004572	PNLFKWHSGXMQNP-UHFFFAOYSA-N	317.374	1.806	50	20	DDGD	
CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)NNC(=O)CC(C)C)C1	808358030	VZBQEGCHYKDUEG-BFHYXJOUSA-N	324.425	1.010	50	20	DDGD	
CC1(C)NC(=O)N(CCCC(=O)NCC(Cl)Cl)C1=O	808131314	SWYKYJPKTIKTSH-UHFFFAOYSA-N	310.181	1.017	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNC(=O)c1cccc2ncccc12	806809362	CBEOYIWTZYKETF-UHFFFAOYSA-N	322.324	1.217	50	20	DDGD	
CC[C@@H](C)n1nc(C(=O)NNC(=O)N=c2cc[nH]cc2)cc1C	802027011	NOZMBKJUVFTRSV-SNVBAGLBSA-N	316.365	1.446	50	20	DDGD	
C#Cc1cncc(C(=O)NNc2nccc(N(CC)CC)n2)c1	807076020	PLKRXVLWWUMVRI-UHFFFAOYSA-N	310.361	1.456	50	20	DDGD	
CC(C)(C(=O)NNc1nnc[nH]1)c1ccccc1Br	298402060	NHXVORKQISFJLS-UHFFFAOYSA-N	324.182	1.988	50	20	DDGD	
CC[C@@H](COCC(F)(F)F)NC(=O)NNC(=O)c1ccc[nH]1	297507644	GQIMVUPDTUJGKG-QMMMGPOBSA-N	322.287	1.316	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)nc1Cl	802029094	LZDJOHCKSKXZJG-UHFFFAOYSA-N	321.724	1.027	50	20	DDGD	
O=C(NNC(=O)c1cccc2ccccc12)c1cc2n(n1)CCO2	810433432	HRMBAUPNJKGJBT-UHFFFAOYSA-N	322.324	1.504	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2COc3cc(F)ccc32)n1	814753292	STAUQIQOCKRWMN-UHFFFAOYSA-N	302.309	1.552	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccc(C(F)(F)F)nc1	817080159	GTQUDYVDTNXRJE-UHFFFAOYSA-N	301.203	1.786	50	20	DDGD	
CC(=NNC(=O)Cc1ccncc1)c1cc(C(=O)O)cs1	814862371	JGBLDHUUSYETSO-UHFFFAOYSA-N	303.343	1.924	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)COc1ccc(C)cc1	811633140	KQOAFNAHRLPMAN-CYBMUJFWSA-N	303.362	1.535	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@]1(C)CC1(F)F	817251367	JZTBOWITPVBCPI-PELKAZGASA-N	306.309	1.157	50	20	DDGD	
CCc1cnc(C=NNC(=O)[C@@H](C)CN2CCOCC2)s1	814763245	WNLWXEHWJPJIGB-NSHDSACASA-N	310.423	1.124	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1F)[C@@H]1CCc2nncn2C1	815852857	LHZYSMYYOXQEQZ-SSDOTTSWSA-N	311.267	1.401	50	20	DDGD	
C[C@H]1COCCN1CCNC(=O)NNc1cccc(Cl)n1	814310904	ZSDJATQCEUJNEI-JTQLQIEISA-N	313.789	1.082	50	20	DDGD	
COc1cnc(C(=O)NNc2ccnc(Br)c2)nc1	816156589	AFLANJGOXXXMOM-UHFFFAOYSA-N	324.138	1.400	50	20	DDGD	
CCc1nn(C)c(OC)c1C=NNC(=O)c1ccc(C#N)cc1	814823519	KAXHTJYLHWIVJH-UHFFFAOYSA-N	311.345	1.627	50	20	DDGD	
O=C(NNC(=O)c1ccc2ccccc2n1)NOC/C=C/Cl	811982390	TXMGXMXGIQBKPG-FPYGCLRLSA-N	320.736	1.863	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H](C)[C@H](C)COC	812446007	JIYLNOJABROHAG-OLZOCXBDSA-N	322.405	1.694	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNC(=S)NCCc1cccs1	820169825	WQQPMAJZXCNLNE-ZDUSSCGKSA-N	315.464	1.337	50	20	DDGD	
COc1cc(OC)c(C=NNC(=O)c2cccn2C)c(OC)c1	725845935	QKIJFWFRCDLJCQ-UHFFFAOYSA-N	317.345	1.815	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C2(C)CCC(=O)CC2)cc1	823708962	DVQVAYSJJMMBTK-UHFFFAOYSA-N	318.373	1.671	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2C[C@@]23CCc2ccccc23)nc(N)n1	828370832	AQOAKVKULHDKTO-CXAGYDPISA-N	309.373	1.714	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccn(-c2ccc(Cl)cc2)n1	496942730	WCFIKPUPWMWGJK-UHFFFAOYSA-N	308.725	1.869	50	20	DDGD	
C[C@@H](C(=O)NNC(=S)NCC1CCC1)c1cccc(O)c1	824437286	OYFBMWFPLZEYNB-SNVBAGLBSA-N	307.419	1.791	50	20	DDGD	
COC(=O)N1CCC(=NNC(=O)CCc2ccccc2O)CC1	491244668	GEAMVJKJZSZADH-UHFFFAOYSA-N	319.361	1.659	50	20	DDGD	
N#C/C(=C\c1cc(-c2nn[nH]n2)cs1)C(=O)NC1CCCC1	822796644	UCLVVPPXPBPCSN-WEVVVXLNSA-N	314.374	1.894	50	20	DDGD	
Cc1ccc(SCC(=O)NNc2nnc(C)c(O)n2)c(C)c1	821680128	RVKAVDFYBOTJOQ-UHFFFAOYSA-N	319.390	1.738	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)c1cnn2cccnc12	727716576	NOQGYASOOBPRLJ-UHFFFAOYSA-N	323.356	1.513	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)cc1	822221754	DTNRHOYWHASVQH-DYEKYZERSA-N	315.373	1.517	50	20	DDGD	
CCCO[C@H](C(=O)NN(C)C[C@H](C)O)c1ccc(F)cc1C	822557914	OPUAOQQMYWUGRY-WFASDCNBSA-N	312.385	1.946	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)C[C@@H](C)n1ccnc1	822736439	QAIPOERMJKDQRM-SNVBAGLBSA-N	320.324	1.903	50	20	DDGD	
CCNC(=O)Nc1cccc(NCc2ccc(B(O)O)o2)c1C	585039614	XSDNNQGILUBFQW-UHFFFAOYSA-N	317.154	1.021	50	20	DDGD	
C[C@H](CCc1cccn1C)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	826088156	LJLBZPHWPDXQMS-BZPMIXESSA-N	322.409	1.102	50	20	DDGD	
OB(O)c1ccc(-c2noc(C3CC4(C3)CC4(F)F)n2)cc1	585051933	PHQILNKNVNXIMA-UHFFFAOYSA-N	306.077	1.319	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)CCCc2ccccn2)n1	729512904	WKBBTQWBSAOTFB-UHFFFAOYSA-N	315.377	1.065	50	20	DDGD	
Cc1ccccc1[C@H]([C@@H](C)NCc1ccc(B(O)O)o1)N(C)C	585036189	CCCBDCDWBOJDCR-DYVFJYSZSA-N	316.210	1.049	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1CC(=O)NNc1cccc(-c2nn[nH]n2)c1	824909333	SXBDDRAQZDHFGM-PHIMTYICSA-N	315.381	1.183	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(Br)cc1F	823983114	LFUDIDLUKZNLIM-SSDOTTSWSA-N	305.147	1.546	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1C[C@@H](C)OC[C@@H]1c1ccccc1	827944136	ALMIAWZDIGSFFW-UKRRQHHQSA-N	319.405	1.252	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C(C)(C)N2CCCCC2)n1	907892006	JNWRSFPTXRBTBR-UHFFFAOYSA-N	304.394	1.416	50	20	DDGD	
O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@H](B(O)O)C1	585079270	WNSGIPSIPKDLOZ-LURJTMIESA-N	305.021	1.062	50	20	DDGD	
CCN(CC)c1ccc(C(=O)NNc2cc(C)nc(N)n2)cc1	828367479	PWXXPQDBLLXCEY-UHFFFAOYSA-N	314.393	1.970	50	20	DDGD	
CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)NNC(=O)C(C)C	491076174	LXFWYNKKMQGJIF-OAHLLOKOSA-N	315.414	1.873	50	20	DDGD	
O=C(N[C@@H]1CCC12CCCCC2)c1cc(B(O)O)ccc1F	584980252	UYSRMTFYNOSMMD-CQSZACIVSA-N	305.158	1.348	50	20	DDGD	
CCOc1ccc(NCc2ccc(B(O)O)cc2F)cc1C	585012031	KBYNPSPLRDKNNX-UHFFFAOYSA-N	303.142	1.825	50	20	DDGD	
CC(C)C(=O)NNC(=O)CCCCNC(=O)OC(C)(C)C	495221740	NWGBKDNYTOPXJY-UHFFFAOYSA-N	301.387	1.485	50	20	DDGD	
CCOC(=O)NN=Cc1ccccc1OCC(=O)NCC1CC1	491378818	QDCRMPNUUVBKRY-UHFFFAOYSA-N	319.361	1.672	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1	837310422	KRXGUSYTNAYFPP-IACUBPJLSA-N	300.358	1.625	50	20	DDGD	
C[C@H](O)CN(CC(F)F)C(=O)[C@@]1(C)C[C@@H]1Br	909260793	AVOWMSBQORMCMA-BYULHYEWSA-N	300.143	1.634	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CC2OCCCO2)c(F)c1	837206686	DYVJPSBUKGUXJQ-UHFFFAOYSA-N	312.297	1.209	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(-n2c(C)cnc2O)cc1	837621949	CTRUYZXELRHRNY-UHFFFAOYSA-N	304.350	1.109	50	20	DDGD	
CC(C)[C@H]1N(C(=O)c2cccc(B(O)O)c2)CC12CCCC2	584999067	IIGSQJPDFZVQJQ-OAHLLOKOSA-N	301.195	1.407	50	20	DDGD	
C[C@H](NC(=O)CCC(=O)NNC(=O)NC1CC1)c1ccccc1	900383035	LYVBHYWXQSZGIG-NSHDSACASA-N	318.377	1.137	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O	836689216	AJYHVCAJZVDWII-NWDGAFQWSA-N	303.366	1.170	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNc1ccc(F)c(C(=O)OC)c1	837039960	VQTLRGNCCGOFGX-ZJUUUORDSA-N	312.341	1.974	50	20	DDGD	
CC(=NNC(=O)c1nn(-c2ccccc2)cc1O)c1cnccn1	734745583	PGYPHIJKAAIVMY-UHFFFAOYSA-N	322.328	1.522	50	20	DDGD	
O=C1NCC[C@@H]1C(=O)NNc1ccccc1OC(F)(F)F	832518078	WBPDZUOXESHNRY-ZETCQYMHSA-N	303.240	1.164	50	20	DDGD	
CN(C)c1ccc([C@H]2C[C@H]2C(=O)Nc2cccc(B(O)O)c2)cc1	584909488	DTZWKLFKWDGKIB-IAGOWNOFSA-N	324.189	1.175	50	20	DDGD	
COc1ccc(N(CC(=O)NNC(=O)C2CC2)CC2CC2)cc1	831588271	VPFPHKHXBOEGDM-UHFFFAOYSA-N	317.389	1.469	50	20	DDGD	
O=C(COC1CCOCC1)NNc1cc(F)c(F)cc1F	735326385	IGRMCDQHLCIGHV-UHFFFAOYSA-N	304.268	1.743	50	20	DDGD	
O=C(Oc1ccc([N+](=O)[O-])cc1-n1cnnn1)OC1CCC1	830950015	BVJJYUKOXSASKF-UHFFFAOYSA-N	305.250	1.638	50	20	DDGD	
COc1ccc(C=NNC(=O)c2ccoc2)cc1-c1nn[nH]n1	737081917	RTSOHTZXZJWMQS-UHFFFAOYSA-N	312.289	1.232	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)Oc1cccc(C)c1C)c1cn(C)nn1	834929285	ASDYFDWPGQCVJA-CYBMUJFWSA-N	315.377	1.740	50	20	DDGD	
CN(CC(=O)NNc1ccc(Br)cc1F)C(=O)O	833692826	XTZDVZGTCYHWID-UHFFFAOYSA-N	320.118	1.641	50	20	DDGD	
CCC(C)(C)OCCNC(=O)NNc1ccc(Cl)nn1	836693208	WNRXUHOMIUTWGZ-UHFFFAOYSA-N	301.778	1.961	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	910161737	AITJJFCOPHJRRW-SSDOTTSWSA-N	321.255	1.571	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc2[nH]ccc2c1	831400482	HGDJAUQALUZYDI-CABZTGNLSA-N	302.334	1.746	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)[C@H](C)CN2CCOCC2)C12CCC2	741162718	BYSWKCFDTSMJKG-UKRRQHHQSA-N	323.437	1.406	50	20	DDGD	
CCCN1CCC[C@H]1C(=O)NNC(=O)c1cccc(Cl)c1	749561988	UDQZCRMEZNSWHL-ZDUSSCGKSA-N	309.797	1.975	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)Cc1cn2ccccc2n1	747663330	NCWLVQMQNLCXJU-UHFFFAOYSA-N	305.407	1.171	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)[C@@H](C)Oc1ccccc1F	749756473	IRIYNPZXGKXZTQ-VHSXEESVSA-N	313.398	1.887	50	20	DDGD	
CCCC[C@H](CN)NC(=O)NNC(=O)c1c[nH]c2ccccc12	841959545	RFAMDRTWKWEAKR-LLVKDONJSA-N	317.393	1.629	50	20	DDGD	
O=C(NN=Cc1cn2ccccc2n1)c1ccc2c(c1)OCCO2	918710873	HZNVTKKIRRDHSF-UHFFFAOYSA-N	322.324	1.869	50	20	DDGD	
COC/C(C)=C\C(=O)NNC(=O)c1ccc(Cl)cc1OC	845123750	DJSICWLOJVCPJY-TWGQIWQCSA-N	312.753	1.702	50	20	DDGD	
Cc1c(C(=O)NN(C)C[C@@H](C)O)cnn1-c1ccc(F)cc1F	910171268	VNCNXKVUPGNSHI-SECBINFHSA-N	324.331	1.416	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@H]1CCC(C)=C(C)C1	843846217	OWYWJUKRKVYEKQ-NSHDSACASA-N	301.481	1.981	50	20	DDGD	
CC(C)Nc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cn1	843970718	KDIHJOMDAQLFQH-PWSUYJOCSA-N	306.366	1.088	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCCc2cc(O)ccc21	748260417	SMSDNJGHZGZTGV-NSHDSACASA-N	306.362	1.600	50	20	DDGD	
C[C@H]1CCc2[nH]nc(C(=O)NNC(=S)N[C@@H](C)C3CC3)c2C1	912162502	WVDFDLPAWRLWSP-IUCAKERBSA-N	321.450	1.442	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCCc2sccc21	843655207	UUTHJNDIXDOHBX-JBLDHEPKSA-N	308.403	1.740	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1nc(C)n2ccccc12	748260019	OQAWBKYGRNFFRW-LLVKDONJSA-N	304.350	1.144	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CC[C@H]2CCCO2)cc1	846370259	HNIIAGKVYXUYOS-CQSZACIVSA-N	306.362	1.804	50	20	DDGD	
CSSCCNC(=O)N1C[C@@H](CN)C2(CCOCC2)C1	841900031	GGCWRBHNVKNWOM-LLVKDONJSA-N	319.496	1.395	50	20	DDGD	
CCOc1c(Cl)cccc1CC(=O)NN(C)C[C@@H](C)O	910154241	XTEMUAYQKAGDPS-SNVBAGLBSA-N	300.786	1.625	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCC[C@@H]1C[C@H]2C=C[C@H]1C2	847404057	SMSIQJJMCDMAEW-HTOAHKCRSA-N	307.394	1.344	50	20	DDGD	
COc1ccc(CCCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	843648367	QDZOSHZFWIIZQV-IUODEOHRSA-N	320.389	1.590	50	20	DDGD	
C[C@H](OCc1ccccc1)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843648824	ZMPFMQCEWUXMOU-DYEKYZERSA-N	306.362	1.164	50	20	DDGD	
Cn1ccnc1CNC(=O)NNC(=O)c1cc2ccccc2o1	749557002	DZDSNUPFUBNDKU-UHFFFAOYSA-N	313.317	1.311	50	20	DDGD	
CCOCCNC(=S)NNC(=O)Nc1ccc(OC)cc1	741854243	HCHDNGCCSJWQKW-UHFFFAOYSA-N	312.395	1.232	50	20	DDGD	
CC(C)Oc1ccccc1CC(=O)NNC(=O)c1ccccn1	748697111	KZNNEIYKJCLPLM-UHFFFAOYSA-N	313.357	1.873	50	20	DDGD	
COCCn1cc(C(=O)Oc2cc(C)c([N+](=O)[O-])cc2C)nn1	841025432	YPNXIJYYTNFVAM-UHFFFAOYSA-N	320.305	1.669	50	20	DDGD	
CCOc1ccc(OCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	843644790	FYWKGSKGZHPWLW-RISCZKNCSA-N	322.361	1.037	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccc(O)cc2)cn1	918542229	TVGNJOPDRZHSTA-UHFFFAOYSA-N	302.290	1.262	50	20	DDGD	
CC(C)[C@@H](N)CNC(=O)NNc1ccc(OC(F)F)cc1	841943137	HCGBEXNMFRPPCO-NSHDSACASA-N	302.325	1.897	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(Cl)ccc1F	843645424	RAUNVVVUNYMGHN-IONNQARKSA-N	300.717	1.665	50	20	DDGD	
C[C@@H]1CCC[C@H](CNC(=O)NNC(=O)c2ncccn2)[C@@H]1C	841585390	DBENLKIHRMJUPE-IJLUTSLNSA-N	305.382	1.493	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1	843657779	RWKFKRQAOMNUFB-WBMYTEFPSA-N	306.337	1.502	50	20	DDGD	
Cc1c(NNC(=O)COC[C@H]2CCCO2)cccc1[N+](=O)[O-]	748693313	LAEIECGJUSAUCP-LLVKDONJSA-N	309.322	1.542	50	20	DDGD	
CCc1cc(CNC(=O)NNc2nc(C)cc(OC)n2)on1	746766518	FGQKJARROUPCJN-UHFFFAOYSA-N	306.326	1.170	50	20	DDGD	
CC[C@H](N)CNC(=O)NNC(=O)c1cc2c(s1)CCCCC2	842003919	DBBRUGMVEUQTCJ-NSHDSACASA-N	324.450	1.698	50	20	DDGD	
CCn1c(NNC(=O)c2cnccc2C)nc2ccccc2c1=O	742042341	NMEXJUVDPIEIAU-UHFFFAOYSA-N	323.356	1.877	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1C	843639834	KCJKWSVMZQRYED-GHMZBOCLSA-N	307.350	1.020	50	20	DDGD	
CC1CCN(C[C@H](C)C(=O)NN=C2CCN(C)[C@H](C)C2)CC1	741453968	COYVGCJROQKZPD-LSDHHAIUSA-N	308.470	1.941	50	20	DDGD	
Cc1ccc(C)c(OCCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	843641870	UVJAUXKNZQOITN-KBPBESRZSA-N	320.389	1.645	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C1CCN(Cc2ccccc2)C1	842558007	QXFOVMQRDCGIEB-BBRMVZONSA-N	301.390	1.790	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)COc1ccccc1O)C(C)(C)C	742652081	AVXPYDUVQGCETF-LUAWRHEFSA-N	306.362	1.911	50	20	DDGD	
CCC[C@H](O)C(=O)NNC(=O)COc1cc(C)ccc1C(C)C	929238777	XPVKUSWWGXYOEL-AWEZNQCLSA-N	322.405	1.806	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNC(=O)CNc1ccc(C)cc1C	842223847	FYDANVKPZODTQC-HNNXBMFYSA-N	321.421	1.924	50	20	DDGD	
C[C@@H]1C[C@H](CNC(=O)NNC(=O)c2ccccc2F)[C@@H](C)O1	840434156	NQZWOLOGDFHTSU-GMTAPVOTSA-N	309.341	1.583	50	20	DDGD	
CCC(Cc1ccccc1)=NNC(=O)N[C@H]1CCS(=O)(=O)C1	920384870	RACHMOOZOSDUIV-AWEZNQCLSA-N	323.418	1.481	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1	920833082	FMDFEWXESUAEHF-UHFFFAOYSA-N	314.729	1.918	50	20	DDGD	
C=C[C@@H]1OCCC[C@H]1NC(=O)NNC(=O)c1cc(C)cs1	858517627	BZMGFXKHCLTUST-MNOVXSKESA-N	309.391	1.734	50	20	DDGD	
CC[C@H]1C[C@H](CC(=O)NNC(=O)OCC(F)(F)F)CCO1	856023128	ZNCBEONZGVGIBJ-BDAKNGLRSA-N	312.288	1.901	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(OCC(=O)OC(C)(C)C)cc1	856757298	MIYGHTWPJMXVJB-UHFFFAOYSA-N	324.333	1.408	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1ccn(-c2ccccc2)n1	755479740	BBROQCMKAQIVSM-UHFFFAOYSA-N	310.317	1.667	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(-c3n[nH]c(C)n3)cc2)ncn1	757381900	JHBNSYPMLYXESN-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
CCNC(=O)NN=Cc1cc(Br)cc(OC)c1O	920827812	PIQAQTFGBWSNIS-UHFFFAOYSA-N	316.155	1.816	50	20	DDGD	
CC(C)(C)n1nnc(CC(=O)NNc2ccccc2[N+](=O)[O-])n1	854144778	GWPBFPVFFPQFCH-UHFFFAOYSA-N	319.325	1.022	50	20	DDGD	
O=C(NNS(=O)(=O)c1cccc(F)c1F)C1CCCC1	751269116	KFJDIWWBSYFGJO-UHFFFAOYSA-N	304.318	1.465	50	20	DDGD	
CSc1ccc(C)c(NC(=O)NNC(=O)Cc2cc[nH]n2)c1	757909922	GYVRVHXHIFSNTB-UHFFFAOYSA-N	319.390	1.835	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)N[C@@H]2COC[C@@H]2C)c1	925991429	ONLQEHDJSMXDRD-GXTWGEPZSA-N	321.377	1.048	50	20	DDGD	
O=C(NCC[C@]1(O)CCCOC1)NNc1ccc(Cl)cn1	852401006	CDIQLMSQVCHPSJ-CYBMUJFWSA-N	314.773	1.293	50	20	DDGD	
C[C@]1(CNS(=O)(=O)N2C[C@H]3CC[C@H]2C3)C[C@@H]1Br	856754685	LVZFSFFVYFUUCO-XWLWVQCSSA-N	323.256	1.479	50	20	DDGD	
CCOc1ccccc1N(C)CC(=O)NNC(=O)C(C)(C)C	755060090	APYHLYOCWKQUJA-UHFFFAOYSA-N	307.394	1.715	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)o1	855831921	MPXKDHYRVZIYNG-UHFFFAOYSA-N	323.393	1.600	50	20	DDGD	
CC1(CO)CCN(C(=O)NC[C@@]2(C)C[C@H]2Br)CC1	856951827	FCFFIDZBMLTFTG-ZWNOBZJWSA-N	319.243	1.964	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1ccc(O[C@@H]2CCOC2)cc1	853351812	VSJWVTVZUKOIGU-OAHLLOKOSA-N	314.345	1.270	50	20	DDGD	
Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NNC(=O)CN(C)C	754208424	WNVZVDLRERXZFH-OLZOCXBDSA-N	303.406	1.685	50	20	DDGD	
CCC[C@H](C)C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	859266007	VTVQCBSXIKEZDX-JTQLQIEISA-N	324.377	1.910	50	20	DDGD	
C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)NNc1ccncn1	852702325	CMUICCJKVYBXHA-JTQLQIEISA-N	324.385	1.358	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2ccc([N+](=O)[O-])cc2F)CCO1	853946556	LIGJSEJHNIIHEU-RKDXNWHRSA-N	312.301	1.928	50	20	DDGD	
COC1(C(=O)NC[C@@]2(C)C[C@H]2Br)CCOCC1	857387255	GIVVJPDBAVBNKX-MWLCHTKSSA-N	306.200	1.472	50	20	DDGD	
CC(=NNC(=O)c1cc[nH]n1)C1CN(C(=O)OC(C)(C)C)C1	853393046	ZRHMVHYXQXKNGW-UHFFFAOYSA-N	307.354	1.382	50	20	DDGD	
CNC[C@@H](C)NS(=O)(=O)c1ccc(CCCCl)cc1	850593739	ZNRUEVNMGAXWCI-LLVKDONJSA-N	304.843	1.744	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)c2ccncc2)cc1	755829631	YGWMEKMANUEZNT-UHFFFAOYSA-N	314.301	1.335	50	20	DDGD	
CC[C@@H]1COCC1=NNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C	853373929	TYBVGIHBKZNWLU-YRGRVCCFSA-N	320.393	1.416	50	20	DDGD	
C[C@]1(CNC(=O)N2[C@H]3CCNC[C@H]2CC3)C[C@@H]1Br	857105671	PKGNOXPUFCUMPN-HNCHTBHHSA-N	316.243	1.696	50	20	DDGD	
CCn1ccnc1C=NNC(=O)CNc1ccccc1OC	755504455	LKKZLNYWVAYEDL-UHFFFAOYSA-N	301.350	1.474	50	20	DDGD	
O=C(NN=C[C@@H]1CCOc2ccccc21)[C@@H]1CCS(=O)(=O)C1	752159369	CNEFMKBPDADCCP-NWDGAFQWSA-N	322.386	1.089	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Cc1ccn(-c2ccccc2)n1	756906438	GFOOPFDFVSSFLX-UHFFFAOYSA-N	323.356	1.215	50	20	DDGD	
COc1ccc(OC(C)(C)C(=O)NNC(=O)c2cc[nH]n2)cc1	855354393	CTNRPYKAIHVJRX-UHFFFAOYSA-N	318.333	1.037	50	20	DDGD	
COc1cc(F)ccc1NC(=O)NNC(=O)CC(F)(F)F	755668316	UCIRYOKUEWKLGA-UHFFFAOYSA-N	309.219	1.939	50	20	DDGD	
COCCOCC(=O)NNC(=O)[C@H](C)c1cccc(Cl)c1	869909591	CNMMDEISLQDYKD-SNVBAGLBSA-N	314.769	1.254	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NNc1c(F)cccc1F	766277712	FDXCTGAQWLKTGU-KCJUWKMLSA-N	312.320	1.506	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2nc(O)c3ccccc3n2)CCC1=O	764581590	SRSOMKXCTBMKHY-UWVGGRQHSA-N	314.345	1.784	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2c(C)nc3ccnn3c2C)o1	761180021	OTZIQXQFURKLIJ-UHFFFAOYSA-N	313.317	1.322	50	20	DDGD	
CCc1ccc(C(C)=NNC(=O)CNC(=O)c2cccnc2)cc1	763199094	MCOLRNGSXOVTGE-UHFFFAOYSA-N	324.384	1.914	50	20	DDGD	
COc1cccc(C(C)(C)C(=O)NNC(=O)c2cccn2C)c1	864594762	ZEQMVXQSBAJPNU-UHFFFAOYSA-N	315.373	1.773	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(-c2cnc[nH]2)cc1	869067649	FBFATIOWPUWTLX-MFKMUULPSA-N	314.345	1.263	50	20	DDGD	
COCC(=O)NN=Cc1cc(Br)c2c(c1)OCO2	761821438	HSQCHLHCSLEJRT-UHFFFAOYSA-N	315.123	1.274	50	20	DDGD	
Cc1cc(=NNC(=O)C2CCC(NC(=O)C3CC3)CC2)cc[nH]1	862512113	KGFDSOJTJKKJNO-UHFFFAOYSA-N	316.405	1.340	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)C(=O)c1ccc(Cl)s1	760035607	BNLAEGREKKICAU-UHFFFAOYSA-N	309.734	1.440	50	20	DDGD	
COCC(=O)NN=C(C)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C	761822150	WZNXQJIUOCEKPE-UHFFFAOYSA-N	324.293	1.606	50	20	DDGD	
Cc1cc(C)c2c(c1)OCCC2=NNC(=O)[C@@H]1CCC(=O)N1	863146817	ZKUDRKZPESUWPC-LBPRGKRZSA-N	301.346	1.185	50	20	DDGD	
CSSCCNC(=O)[C@@H]1CC(c2cn(C)nc2C)=NO1	935872412	DVRSXLJPGCXNHE-NSHDSACASA-N	314.436	1.349	50	20	DDGD	
CCN(CC(=O)N(C)C)C(=O)[C@H](Br)C(C)(C)C	767966682	UWRFOZBXPOCORV-JTQLQIEISA-N	307.232	1.733	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=C2CCOc3c(Cl)cccc32)N1	863150033	LHHCHBNZDNVVPT-NSHDSACASA-N	307.737	1.221	50	20	DDGD	
C[C@@H](Oc1ccccn1)C(=O)NNCC(F)(F)C(F)(F)F	863101915	NAAPHGAJZCBUST-SSDOTTSWSA-N	313.226	1.667	50	20	DDGD	
Cc1cc(=NNC(=O)c2cnn(C3CCOCC3)c2C)cc[nH]1	862514548	QFHZGPCKQOZFDX-UHFFFAOYSA-N	315.377	1.425	50	20	DDGD	
CCCc1c(C(=O)NNC(C)=O)cnn1-c1ccccc1C	760052901	SYMXGPBHTYVYMC-UHFFFAOYSA-N	300.362	1.914	50	20	DDGD	
Cc1cc(Cl)ccc1C=NNC(=O)[C@H](C)NS(C)(=O)=O	767378678	UITYEEXSGOAESQ-VIFPVBQESA-N	317.798	1.036	50	20	DDGD	
CC(=NNC(=O)CS(C)(=O)=O)c1csc(C(C)C)n1	863186848	OCVDOFGTJHRJTD-UHFFFAOYSA-N	303.409	1.151	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NNc1ccnc(N(C)C)n1	768712770	UQSXMKMGQYEGPB-CHWSQXEVSA-N	321.425	1.971	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)N[C@H]1CCc2n[nH]cc2C1	767116030	PFPCYMUXFHQWND-VIFPVBQESA-N	306.757	1.642	50	20	DDGD	
Cn1ccc2ccc(C(=O)NNC(=O)[C@@H]3CCCCO3)cc21	868619031	FQJQKVGNLNFJBB-AWEZNQCLSA-N	301.346	1.508	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)C[C@@H]1COC(=O)C1	765402465	QHRUMIWJFOZWJX-ZDUSSCGKSA-N	304.346	1.110	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)c1cnc(C)[nH]1	762370587	NFONVKRDIDFDRZ-UHFFFAOYSA-N	320.374	1.280	50	20	DDGD	
CCC[C@H](CC)C(=O)OCC(=O)NNC(=O)c1cccs1	873419701	YSVIBANMOIYMSL-JTQLQIEISA-N	312.391	1.879	50	20	DDGD	
CCC(=O)N[C@H](CCSC)C(=O)NNc1ccc(F)cn1	874651838	VTZBDDLOXKRNHT-SNVBAGLBSA-N	314.386	1.312	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)CSc1ccc(C)cc1	772852398	UQZOZNXREXKRJU-UHFFFAOYSA-N	318.402	1.765	50	20	DDGD	
O=C(NNc1ncccn1)C(=O)Nc1ccccc1OC(F)F	773724565	SDSAXYYOLKAFKU-UHFFFAOYSA-N	323.259	1.160	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(OCCCN(C)C)cc1	878660552	VOUFFRQWZYCHCN-UHFFFAOYSA-N	324.381	1.752	50	20	DDGD	
Cc1noc2nc(C3CC3)cc(C(=O)NNc3ccn(C)n3)c12	1116852933	UYUIBVMRLVCZDD-UHFFFAOYSA-N	312.333	1.899	50	20	DDGD	
CCc1noc(C2CCC(=NNC(=O)c3cnn(C)c3)CC2)n1	778541418	JFYZJYHTKVDRHX-UHFFFAOYSA-N	316.365	1.809	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1ccn(C(F)F)n1	775786882	YTCYSNHZMCCZQT-UHFFFAOYSA-N	322.197	1.844	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cccc(Cl)c2O)n1	776231488	PCIDYHCENNKGFQ-UHFFFAOYSA-N	307.741	1.659	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccn(Cc2ccc(OC)cc2)n1	779508903	JDXMEOHWAZIIPD-UHFFFAOYSA-N	317.349	1.503	50	20	DDGD	
Cc1cccc(C)c1NC(=O)CNS(=O)(=O)CCCCl	881747552	NRFYGRHZQCYYGA-UHFFFAOYSA-N	318.826	1.790	50	20	DDGD	
Cn1ncc2c1C[C@H](C(=O)NNc1cc(F)ccc1F)CC2	885141487	FOTZIKOOXZLFKL-SECBINFHSA-N	306.316	1.947	50	20	DDGD	
COc1cccc2[nH]cc(CC(=O)NNC(=O)c3ccccn3)c12	778518439	PJELQGBOMZBJQO-UHFFFAOYSA-N	324.340	1.575	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NOC2CCCCC2)c1	777719772	DAOAUACZOLTEIP-UHFFFAOYSA-N	320.393	1.961	50	20	DDGD	
O=C1Nc2c(F)cc([N+](=O)[O-])cc2C1=NNC(=O)C1CCCC1	774369028	JGWQHQMTGLBHPF-UHFFFAOYSA-N	320.280	1.697	50	20	DDGD	
O=C(NNc1c(Cl)cccc1Cl)C1(O)CCOCC1	773367191	IALFGHOVPOAPAX-UHFFFAOYSA-N	305.161	1.978	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNc2c(F)cc(F)cc2F)C1	885151896	QFDZQAFWKYQBBR-QMMMGPOBSA-N	315.295	1.806	50	20	DDGD	
C[C@@H](CNC(=O)NNc1cccc(S(C)(=O)=O)c1)C1CC1	776617985	SVUJKUNMYAIIFB-JTQLQIEISA-N	311.407	1.762	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@H]1c1ccsc1)c1cccnn1	883849736	IWVBFSYXNYGHRP-LBPRGKRZSA-N	317.374	1.730	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccn(CC(F)F)n2)o1	789914374	AYGVIARJCTYZDC-UHFFFAOYSA-N	324.291	1.888	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)n1cc(-c2cc(F)cc(F)c2)nn1	881292915	HRQRMAKKGZGBHD-MRVPVSSYSA-N	323.303	1.342	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1c1ccccc1)NC1CCCC1	787260091	ORJRBLMPKPBSDL-HNNXBMFYSA-N	316.405	1.928	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@H]1CCC=CO1	780755698	PMISUKRGGVPKHY-LLVKDONJSA-N	305.334	1.332	50	20	DDGD	
O=C(CCc1cccc(Cl)c1)NNC(=O)C1CCOCC1	883060305	GMOCVBIYUPXAGM-UHFFFAOYSA-N	310.781	1.847	50	20	DDGD	
O=C(N=c1cc[nH]cc1Br)NNc1ccccn1	780624424	UZZLLLBVQYHNOJ-UHFFFAOYSA-N	308.139	1.810	50	20	DDGD	
O=C(NNc1ncncc1Cl)N[C@@H]1CCc2n[nH]cc2C1	781003425	VAKCBFUQDBZIQW-MRVPVSSYSA-N	307.745	1.037	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cc(N2CCNC2=O)ccc1C	787694052	NUZXUFRFQIHZIY-ZRDIBKRKSA-N	314.345	1.907	50	20	DDGD	
CC(C)[C@H](F)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	784459835	RXVWDKGLSHJEKG-NSHDSACASA-N	319.377	1.433	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2cccc([N+](=O)[O-])c2)C1	787134461	ZJMDWVKQNREBKC-NXEZZACHSA-N	306.322	1.330	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2c[nH]nc2-c2ccoc2)n1	789974787	XWBJVDSVVBZMHD-UHFFFAOYSA-N	314.305	1.534	50	20	DDGD	
CCCCNC(=O)NN=Cc1cn(Cc2cccnc2)nn1	783832033	FGOQKOGLZOINIC-UHFFFAOYSA-N	301.354	1.155	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccc(C(N)=O)cc2)c1	781037966	DBDKZXGPOJTODP-UHFFFAOYSA-N	313.313	1.329	50	20	DDGD	
O=C(NN=C1CCc2cc(O)ccc21)[C@H]1COc2ccccc2O1	780189357	YDPNTVSNVZEGMT-QGZVFWFLSA-N	324.336	1.999	50	20	DDGD	
CCN1C[C@@H](C)N(C(=O)NNC(=O)c2cccc(C)n2)C[C@@H]1C	793229374	YKPFKLIYFRRXHV-QWHCGFSZSA-N	319.409	1.159	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])o1	790594040	CFVWWDWNEBRISN-UHFFFAOYSA-N	310.197	1.992	50	20	DDGD	
O=C(CCc1cnc[nH]1)NNC(=O)Cc1cccc2ccccc12	792898038	FPLACQKMPNNIOB-UHFFFAOYSA-N	322.368	1.886	50	20	DDGD	
Cc1oc(C#N)cc1C(=O)NNC(=O)Cc1ccccc1F	797867360	IOVBMAPBAIMKKB-UHFFFAOYSA-N	301.277	1.603	50	20	DDGD	
COc1cccc(OC)c1C(=O)NNC(=O)c1cccc(C)n1	794072259	LXGQHDYOZDFKPZ-UHFFFAOYSA-N	315.329	1.482	50	20	DDGD	
CCN(CC)CCC(=O)NN=CCc1ccc([N+](=O)[O-])cc1	792944069	QLZXPSZSDHEYDC-UHFFFAOYSA-N	306.366	1.971	50	20	DDGD	
COCC(=O)NN=Cc1ccc(N(C)C)cc1C(F)(F)F	794520044	JMESXMBZMZUXEC-UHFFFAOYSA-N	303.284	1.868	50	20	DDGD	
CCOc1cccc(S(=O)(=O)NNC(=O)c2ccccc2)c1	799913547	TYQZGSNCBPNEAP-UHFFFAOYSA-N	320.370	1.709	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	794867837	LUZVUIKZFFBALN-HNNXBMFYSA-N	310.350	1.280	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H]1CCCc2nn(C)cc21	798837141	FECNFWYBDCZRFZ-CYBMUJFWSA-N	312.373	1.610	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1sc(N(C)C)nc1C	1319892954	QFRBCNXKUSBOPM-UHFFFAOYSA-N	318.402	1.901	50	20	DDGD	
CCN(C)[C@H](C(=O)NNC(=S)NC(C)C)c1ccccc1	1318356564	IPBRHHIXIWRKNH-ZDUSSCGKSA-N	308.451	1.583	50	20	DDGD	
O=C(NN=Cc1ccc(O)c(O)c1O)c1n[nH]c2c1CCCC2	1317760928	YABXPRFPHDCLHR-UHFFFAOYSA-N	316.317	1.169	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CCCOCCc1ccccc1	1317909552	VNXKVZBJKLKADF-UHFFFAOYSA-N	323.462	1.930	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@]2(F)CCOC2)c(F)c1	1324951241	VZFZRAVVSDOWPR-ZDUSSCGKSA-N	300.261	1.184	50	20	DDGD	
COc1cc(C)cc(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	1325975339	JLRRBYCDDDIENB-BXUZGUMPSA-N	321.377	1.259	50	20	DDGD	
CCS(=O)(=O)c1ccc(F)c(C(=O)NNc2cccnn2)c1	1323762794	XBWCAUPCVBLKSK-UHFFFAOYSA-N	324.337	1.166	50	20	DDGD	
C[C@H]1CC[C@H](CNC(=O)NNC(=O)c2ccccc2Cl)O1	1324699976	GRIASJOOKWHEJN-VHSXEESVSA-N	311.769	1.852	50	20	DDGD	
CN(C)[C@H](C(=O)NNc1ccn(C)n1)c1cccc(Cl)c1	1325747619	XBOYXFAINMEPNW-ZDUSSCGKSA-N	307.785	1.820	50	20	DDGD	
CC(CCn1cccn1)=NNC(=O)c1n[nH]c2c1CCCC2	1320096690	UOXNXCMNQWFSAT-UHFFFAOYSA-N	300.366	1.681	50	20	DDGD	
CON(C)C(=O)CCC(C)=NNC(=O)c1ccc(C)c(O)c1	1336994885	LIJAPJATFJPLAN-UHFFFAOYSA-N	307.350	1.606	50	20	DDGD	
C=C/C=C\CCNC(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1331794988	GPWOUFYTZKOKLX-KXQOAOKJSA-N	315.211	1.525	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNc1nc(-c2ccncc2)no1	1338842959	AACBXJFTKQKKME-UHFFFAOYSA-N	313.321	1.239	50	20	DDGD	
O=C(NN=C1CCN(c2nccs2)CC1)C1CCOCC1	1331994026	JZZXKRWPDNZDLS-UHFFFAOYSA-N	308.407	1.642	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)Cc1c[nH]c2ccccc12	1336783005	CFGHVJBTFLJTSM-DZGCQCFKSA-N	315.373	1.673	50	20	DDGD	
Cc1nc2scc(C)n2c1C=NNC(=O)C1CCOCC1	1336996206	ZQXQYBUBJBFXHL-UHFFFAOYSA-N	306.391	1.889	50	20	DDGD	
C[C@@H]1Cc2cc(CNC(=O)NNc3ncncc3F)ccc2O1	1344439597	XDTCCOYDHLFXKG-SECBINFHSA-N	317.324	1.765	50	20	DDGD	
COc1ccc(NNC(=O)c2n[nH]cc2Br)nc1	1346302467	KGQDBMDBTZTAIZ-UHFFFAOYSA-N	312.127	1.333	50	20	DDGD	
CCN(CC)CC[C@H](C)NC(=O)NNc1ncncc1Cl	1263304883	MIQGPOJZPAXPGY-JTQLQIEISA-N	314.821	1.877	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2nc(C3CC3)cs2)n[nH]1	1528501036	BFCJBUPYISSRGQ-UHFFFAOYSA-N	305.363	1.056	50	20	DDGD	
O=C(NCCCN1CCCC1)NNc1cccc(C(=O)O)c1	1601496643	BBWVVWLNMSUHJI-UHFFFAOYSA-N	306.366	1.497	50	20	DDGD	
O=C(NCCc1cscn1)NNc1cccc(C(=O)O)c1	1601514768	LNSUFUCZNTWCRA-UHFFFAOYSA-N	306.347	1.710	50	20	DDGD	
Cc1ccc(NNC(=O)CCc2ccc(O)nc2)cc1C(=O)O	1600463272	ZJFBRUPXTZESHJ-UHFFFAOYSA-N	315.329	1.870	50	20	DDGD	
N#CC1(CC(=O)NNc2ccc(C(=O)O)c(F)c2)CCOCC1	1601054196	BWLNSMGAZUQFMR-UHFFFAOYSA-N	321.308	1.677	50	20	DDGD	
Cc1cc(C)n([C@H](C)CC(=O)NNc2ccc(C(=O)O)cn2)n1	1600178394	UREOEJLUSHBPNB-LLVKDONJSA-N	317.349	1.688	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2cc(C(=O)O)c(C)n2C)n1	1607929926	OHHGZDSIQIIHOF-UHFFFAOYSA-N	320.374	1.489	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@H]2C[C@H]2C2CCOCC2)c1	1602449001	XWCLRAKYURFEQR-UONOGXRCSA-N	304.346	1.891	50	20	DDGD	
CO[C@@H]1CCCC[C@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1	1605030876	QBLQMQVNPZYVGE-CHWSQXEVSA-N	316.365	1.515	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2csc3cncn23)c1	1602450513	YOYROXODIVCIJT-UHFFFAOYSA-N	302.315	1.851	50	20	DDGD	
C[C@@]1(CNC(=O)NC[C@H]2C[C@H]2C(=O)O)C[C@H]1Br	1604577233	HDKPMJWQPDOFSQ-NKIIXMILSA-N	305.172	1.180	50	20	DDGD	
CC(=NNC(=O)c1ccc(O)cc1)c1ccc(-c2nn[nH]n2)cc1	1609060788	CWVXIXJAJTZDPO-UHFFFAOYSA-N	322.328	1.726	50	20	DDGD	
O=C(O)Cc1c(C(=O)NNc2ccccn2)[nH]c2ccccc12	1602116614	ARZAVBIPAMHPRM-UHFFFAOYSA-N	310.313	1.947	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](C(=O)O)c1cc(C)cc(C)c1	1610033696	CYFKUERYKVTUPT-XXYUJHKVSA-N	302.330	1.989	50	20	DDGD	
CCOc1cc(C=NNC(=O)C(=O)O)ccc1OC(F)F	1610041206	WIANZIOSRAHZAG-UHFFFAOYSA-N	302.233	1.221	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1ccccc1F	1549315533	NWSUZIRDOWMBEC-SWLSCSKDSA-N	305.353	1.529	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=O)[C@@H]2CCCNC2)c(O)c1	1575851190	NOGREOMLFGXHSE-GFCCVEGCSA-N	305.378	1.276	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)Cc2ccccc2N)cc1	1578820316	CHQFDYFRBQQAIV-UHFFFAOYSA-N	313.357	1.670	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@H]2CCC(C)(C)CN2)cn1	1579959213	OXWKZPUHNBYFAM-YGLIYXGISA-N	301.394	1.221	50	20	DDGD	
C#CCNCC(=O)NNC(=S)Nc1ccccc1C(C)C	1574736347	SNPGRILUIHXBLU-UHFFFAOYSA-N	304.419	1.350	50	20	DDGD	
CSCC[C@H](N)CC(=O)NNc1cccc(F)c1[N+](=O)[O-]	1579382151	XVEGMRZQVCMBGT-QMMMGPOBSA-N	316.358	1.648	50	20	DDGD	
CCOCc1nc(C)cc(NNC(=O)N[C@@H]2CC[C@H](CN)C2)n1	1578127382	VCCDETRPQBYFNN-NWDGAFQWSA-N	322.413	1.075	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)[C@@H](N)CC3CC3)cc2C1	1576758391	JWMICMUZSFTLMK-CABZTGNLSA-N	321.446	1.761	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H]1C[C@@H](C)CCN1)c1ccccc1	1576938317	HJXYHOCFPWZTLS-AEGPPILISA-N	303.406	1.716	50	20	DDGD	
CN(N)C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1	1573882537	KBUYCKDLFPEUHS-UHFFFAOYSA-N	311.407	1.197	50	20	DDGD	
COC(=O)/C(C#N)=C\c1ccc(OCCN2CCOCC2)cc1	7060541	WNIGBHMAKNVUNC-QINSGFPZSA-N	316.357	1.478	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@]12CCCNC2)c1cc2c(s1)CCC2	1580733428	URCWKVAXHIWQHU-BZNIZROVSA-N	319.430	1.388	50	20	DDGD	
NC[C@H](C(=O)NNC(=O)Cc1ccccn1)C1CCCCCC1	1580215188	DLYXUYBVOWPDIR-HNNXBMFYSA-N	318.421	1.317	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC2(CC(=O)O)CCCCC2)cn1	1594538825	RUZMVLDGMHBSLJ-NTUHNPAUSA-N	316.361	1.621	50	20	DDGD	
CCc1nc(CNC(=O)NNc2ccc(C(=O)O)c(F)c2)n[nH]1	1597670269	VPGHSGCZULEDJQ-UHFFFAOYSA-N	322.300	1.031	50	20	DDGD	
COc1ccccc1NNC(=O)c1cc(-c2nn[nH]n2)cs1	1591651666	IAMOOHXSPLOCKX-UHFFFAOYSA-N	316.346	1.694	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1c(F)cncc1F	1593162507	RRTZPMHLICWEBB-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
O=C(O)CCC(=O)NNC(=S)Nc1cccc(Cl)c1	1594996836	NBIUJDJUJMOJRN-UHFFFAOYSA-N	301.755	1.522	50	20	DDGD	
O=C(CCc1ccccc1)NN=Cc1cccc(-c2nn[nH]n2)c1	1592852237	KUSHMVLKJVGDOB-UHFFFAOYSA-N	320.356	1.950	50	20	DDGD	
O=C(Cc1ccccc1C(=O)O)NNc1ccccc1[N+](=O)[O-]	1594709653	DOIKXPALZUYAKR-UHFFFAOYSA-N	315.285	1.979	50	20	DDGD	
COCCC1(C(=O)NNc2ccc(C(=O)O)cc2OC)CC1	1599216754	LSIRBLVTLXIYPN-UHFFFAOYSA-N	308.334	1.653	50	20	DDGD	
COc1ccc(NNC(=O)c2cccc(OCC(=O)O)c2)nc1	1594105978	SFVWMJSNFQKRCP-UHFFFAOYSA-N	317.301	1.311	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1ccc(/C=C\C(=O)O)o1	1776029342	ISVXGISIYGHYHS-XIMYRUKESA-N	320.330	1.488	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccc(C#N)cc1	14841882	YMGYQPSEHFLYPR-UHFFFAOYSA-N	319.324	1.589	50	20	DDGD	
COc1ccc(C)cc1CC(=O)NNC(=O)c1ccccc1O	17575394	DDVAKVPRTYJQIV-UHFFFAOYSA-N	314.341	1.713	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1ccc(CC)c(CC)c1	160090623	AZMMPLBSUYCCLZ-UHFFFAOYSA-N	313.423	1.714	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2CCC[C@@H]3OCC[C@H]23)n1	152505035	BTHNUNGVDKSJJZ-AGIUHOORSA-N	305.382	1.677	50	20	DDGD	
O=C(NNc1ccccc1F)[C@@H]1CCCN(C(=O)C2CC2)C1	153105214	FATDHLIQOVHNGK-GFCCVEGCSA-N	305.353	1.917	50	20	DDGD	
CC[C@@H](OC1CCCCC1)C(=O)NNC(=O)Cc1cccnc1	153476177	YJATWYCUQNYWLA-OAHLLOKOSA-N	319.405	1.899	50	20	DDGD	
C#CCSCCNC(=O)NNC(=O)Cc1ccccc1F	154824537	KGVOUJUNHXLGEC-UHFFFAOYSA-N	309.366	1.065	50	20	DDGD	
CO[C@]1(C)CCCN(S(=O)(=O)CBr)CC1	366491601	KSERNUDFGRZPRZ-SECBINFHSA-N	300.218	1.560	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCc1cccc(C(=O)OC)c1	179671767	HBAHRJLRFJDEQO-SDNWHVSQSA-N	302.330	1.576	50	20	DDGD	
COCCCNC(=O)NNC(=O)C(C)(C)c1ccccc1C	58874120	QPUDIMNDYFNURR-UHFFFAOYSA-N	307.394	1.640	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)C(C)(C)C)c1ccc(F)cc1	173678788	PGSZYTPGZIHJGJ-GFCCVEGCSA-N	311.357	1.890	50	20	DDGD	
CC(C)(C)C(=O)NNc1nc(Br)cn2ccnc12	176193279	RWKMOFMXJJYAIA-UHFFFAOYSA-N	312.171	1.981	50	20	DDGD	
CCN(CC)S(=O)(=O)CC(=O)NNc1ccc(F)cc1C	118966946	AULFLAPQZBVFTQ-UHFFFAOYSA-N	317.386	1.249	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)c1cscn1	112729659	SDBKQPFDSYMAQH-UHFFFAOYSA-N	310.766	1.941	50	20	DDGD	
CCc1nc2ccc(C(=O)NNC(=O)C3CC3)cc2nc1CC	26967357	HBPYARRNYQPDDY-UHFFFAOYSA-N	312.373	1.926	50	20	DDGD	
COCCCCCNC(=O)NNC(=O)c1cccc(N(C)C)c1	69730338	IYNFCQWEKZLPSU-UHFFFAOYSA-N	322.409	1.513	50	20	DDGD	
CC(=O)N[C@@H](CC(=O)NNC(=O)CC(C)C)c1ccc(C)cc1	21443924	AGZQACBISWLGJF-HNNXBMFYSA-N	319.405	1.756	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cc(OC)cc2c1O[C@@H](C)C2	170851368	TXFUKOMNLDCHOZ-NGPAHMQLSA-N	316.357	1.688	50	20	DDGD	
C[C@@H](c1ccccc1)[C@](C)(O)C(=O)NNC(=O)c1ccc[nH]1	175944325	UHJPDXODMPBXCB-ZBEGNZNMSA-N	301.346	1.330	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)CCO3)o1	176688252	TZQJHDYVQORGSX-UHFFFAOYSA-N	322.342	1.146	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)[C@@H]1C	1351340028	AIHDMCIZPFBVTN-COMAGPEQSA-N	320.393	1.109	50	20	DDGD	
CC[C@@H]1CN(CC(=O)NNC(=O)c2ccc(C)cc2)C[C@H](C)O1	111274615	BERSPMATGBYBSF-DZGCQCFKSA-N	319.405	1.255	50	20	DDGD	
C[C@@H]1C[C@H](c2ccccc2)CN1CC(=O)NNC(=O)C1CC1	115555742	AOOAGXVUTFQDKK-DOMZBBRYSA-N	301.390	1.422	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H]1COc2ccc(Cl)cc2C1	68809639	ZULKFVOIVKZSOD-JTQLQIEISA-N	311.769	1.630	50	20	DDGD	
CN(CCN1CCOCC1)/C(=C/C#N)c1ccc([N+](=O)[O-])cc1	177164794	NPKHEPJVOVSXLH-OMCISZLKSA-N	316.361	1.723	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNC(=O)c2cc3ccccc3o2)c[nH]1	177727736	LRXZMZZIZTVFMA-UHFFFAOYSA-N	311.297	1.504	50	20	DDGD	
O=C(CCn1cccn1)NNC(=O)c1cc(-c2ccccc2)n[nH]1	128614383	DTWQARRHVSHVKW-UHFFFAOYSA-N	324.344	1.125	50	20	DDGD	
O=C(CCCNC(=O)C1CC1)NNc1cccc2cnccc12	178491484	KTDYFUXGSJJPPQ-UHFFFAOYSA-N	312.373	1.984	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCC[C@@H](OCCO)C1	183684187	DSESXUBEJYWJDL-SCOADAFUSA-N	318.348	1.733	50	20	DDGD	
Cc1ccc(Cl)c(S(=O)(=O)NNC(=O)c2ccc[nH]2)c1	123883001	ONMGWRNTTLOZHZ-UHFFFAOYSA-N	313.766	1.600	50	20	DDGD	
COCCC(C)(C)CNC(=O)NNC(=O)c1ccc(C#N)cc1	185563349	SIHVGRPUKZGGQX-UHFFFAOYSA-N	318.377	1.565	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)c2cc3c(s2)CCCCC3)N1	127569026	XECUFGINKCNDGL-SNVBAGLBSA-N	321.402	1.057	50	20	DDGD	
C[C@H]1[C@@H](C)SCCN1CC(=O)NNC(=O)c1ccccc1	182321976	LRXJRKUXOMJDQN-NWDGAFQWSA-N	307.419	1.273	50	20	DDGD	
Cc1ccc(O[C@@H](C)CNC(=O)NNc2cccnn2)cc1	75308256	JDISHDYOUBPIMG-LBPRGKRZSA-N	301.350	1.879	50	20	DDGD	
O=C(NCCCO[C@H]1CCOC1)NNc1cc(Cl)ccn1	181485124	ZQDMYFATPKPXGL-NSHDSACASA-N	314.773	1.557	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2CCCCC2)cc1C	72576444	IHWKCZHFHKMVDZ-UHFFFAOYSA-N	317.389	1.970	50	20	DDGD	
COc1cccc(NNC(=O)C[C@@H](C)NC(=O)C2CCCC2)n1	180706139	LOPUBRDWNGIKEJ-LLVKDONJSA-N	320.393	1.618	50	20	DDGD	
Cc1ccc(-n2cc(C)cn2)c(NC(=O)NNC(=O)CCO)c1	127128594	GQUXJJUGNKJTRX-UHFFFAOYSA-N	317.349	1.024	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccccc1C(C)C	124795309	NLCHLIJDCUNBBP-LLVKDONJSA-N	305.378	1.942	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1ccc(F)cc1O	123274797	KEEDMJPNMZCKEQ-UHFFFAOYSA-N	303.293	1.404	50	20	DDGD	
CCCOc1ccc(OCC(=O)NNC(=O)[C@@H]2CCCO2)cc1	32257268	ODJZWZPKFLAUCU-AWEZNQCLSA-N	322.361	1.181	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cn(-c2ccccc2)nn1	129648738	BADNZOKIHHYTPU-UHFFFAOYSA-N	302.338	1.011	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cc(Cl)c[nH]2)cc1	70696875	YGOQMPBNIPHWJO-UHFFFAOYSA-N	306.753	1.850	50	20	DDGD	
O=C(NCCCF)NNC(=O)c1cc(Br)c[nH]1	136900819	RBCBBKPKMWBIEZ-UHFFFAOYSA-N	307.123	1.081	50	20	DDGD	
Cc1nscc1C(=O)NNC(=O)NCCc1cccs1	181851257	LVDAUPSUPHXGHJ-UHFFFAOYSA-N	310.404	1.700	50	20	DDGD	
COc1cccc(NNC(=O)Nc2cnn(CC(F)F)c2)n1	184037025	RUJUABHUSXJBFL-UHFFFAOYSA-N	312.280	1.700	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNC(=O)NCc2ccco2)cn1	138878861	SIXPZKRTMLJESI-UHFFFAOYSA-N	305.338	1.375	50	20	DDGD	
CC(C)(C)n1nccc1NC(=O)NNC(=O)Cc1cccnc1	190587573	KLRCUDZNZHSKJE-UHFFFAOYSA-N	316.365	1.429	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cccc(F)c2C)nc(C)n1	130355399	BROHDLVPPSXGLH-UHFFFAOYSA-N	317.324	1.623	50	20	DDGD	
COC[C@@H]1CN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C[C@H](C)O1	194889773	CRJFQIJOQBVOSQ-HJJRVNITSA-N	316.357	1.561	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCC(C)(C)C1	137733322	FAZZIOZOQADVIF-UHFFFAOYSA-N	303.406	1.417	50	20	DDGD	
CC(C)OCCC(=O)NNC(=O)NCc1ccc(Cl)cc1	191598673	WCDZGZNRKYDYEB-UHFFFAOYSA-N	313.785	1.986	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc2ccccc2c1O	136029823	DZTYXFZDZMPFSR-UHFFFAOYSA-N	309.325	1.959	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)Cc1ccccc1F)[C@@H]1CCCO1	133148223	CKSIFRXJOQXOSZ-KBPBESRZSA-N	323.368	1.656	50	20	DDGD	
COc1nccnc1NNC(=O)c1cnc(C(C)(C)C)s1	131990005	CDMHXNJFRUDNSQ-UHFFFAOYSA-N	307.379	1.996	50	20	DDGD	
CCCn1ncc(C(=O)NNc2nccnc2OC)c1C1CC1	131960632	QTOJHEGPGIKFOH-UHFFFAOYSA-N	316.365	1.726	50	20	DDGD	
CCc1noc2ncc(C(=O)NNC(=O)c3cccnc3)cc12	194669907	WZEALQFOKMUKIH-UHFFFAOYSA-N	311.301	1.255	50	20	DDGD	
COCCn1cc(C(=O)NNC(=O)N(C)C)c2ccccc21	194938151	DDQIOHLYVSWEBZ-UHFFFAOYSA-N	304.350	1.204	50	20	DDGD	
COCCCCNC(=O)NNC(=O)c1cccc(N(C)C)c1	193740548	UMCHTXOOVZHLOU-UHFFFAOYSA-N	308.382	1.123	50	20	DDGD	
O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1cc([N+](=O)[O-])ccc1O	254597779	LINZKUPVEINIHI-UHFFFAOYSA-N	320.217	1.566	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)c2c(Cl)cccc2Cl)N1	263917017	QOMJLSLBLUBJEF-MRVPVSSYSA-N	316.144	1.033	50	20	DDGD	
COCC[C@H](C)NC(=O)NNC(=O)CCc1ccc(OC)cc1	263746318	WNTGCRDZJRZKCA-LBPRGKRZSA-N	323.393	1.383	50	20	DDGD	
COCCN1CC[C@@H](NC(=O)NNc2ccc(Cl)nc2)C1	266749678	FGGJQIUCSYHBGL-LLVKDONJSA-N	313.789	1.082	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](C)c1ccc(NC(N)=O)cc1	269492456	TZPVQAYYESPKPD-LZAIMSLLSA-N	302.334	1.798	50	20	DDGD	
O=C(CC1CCOCC1)NNc1nc(-c2cccnc2)no1	265308404	RHJLZZPPLFBVHH-UHFFFAOYSA-N	303.322	1.391	50	20	DDGD	
CSc1nc(C2CC2)nc(C)c1C(=O)NNC(=O)N(C)C	266838461	MCIWBHDLKDUGTO-UHFFFAOYSA-N	309.395	1.300	50	20	DDGD	
CO[C@H](C)CCNC(=O)NNC(=O)COc1cc(C)ccc1C	263773939	NLORKTLTWGMQAA-CYBMUJFWSA-N	323.393	1.438	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H](C(=O)NNC(=O)NCc2ccco2)C1(C)C	275435667	DMEQIRGDWKKIHZ-JQWIXIFHSA-N	321.377	1.751	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)NNc2ccc(C#N)c(Cl)c2)C1	364965764	BHFXPFYBGSWMHK-HNNXBMFYSA-N	320.780	1.913	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccccc1CCN(C)C	275683868	QJGVJSDOHUVAMG-LBPRGKRZSA-N	306.410	1.990	50	20	DDGD	
Cc1ocnc1CNC(=O)NNC(=O)C(C)(C)c1ccccc1	271342955	GVKNXCUIHLCLSL-UHFFFAOYSA-N	316.361	1.791	50	20	DDGD	
NC(=O)CCSc1ccccc1NC(=O)NNC(=O)C1CC1	274177227	XKYWGQMYHHZKSY-UHFFFAOYSA-N	322.390	1.217	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)Cc2ccccc2F)CCO1	271196108	ATALXJCZLGPKHZ-PWSUYJOCSA-N	309.341	1.266	50	20	DDGD	
Nc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)NC1CCCC1	276191288	HWQVCUDXMBLYPD-UHFFFAOYSA-N	307.310	1.064	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1coc(-c2cccs2)n1	272686290	PFPAEEJWPYSCJE-UHFFFAOYSA-N	308.363	1.638	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@H]2CCOC[C@H]2C)n1	288596258	HSDZITOMIBOCNZ-ZYHUDNBSSA-N	306.366	1.007	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H](C(=O)NNc2cc(Cl)ccc2Cl)O1	281101909	GSPONPZUKDMYGF-VHSXEESVSA-N	318.160	1.469	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)C(=O)NNC(=O)NCC(F)(F)F	281335021	UJXITUKPDKMEDB-RXMQYKEDSA-N	307.276	1.023	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@H]1CCCN(CC(F)(F)F)C1	286660001	VEQHAQKRMCVJJG-VIFPVBQESA-N	320.290	1.938	50	20	DDGD	
C[C@@H](Oc1ccc(C=O)cc1)C(=O)NNC(=O)NC1CCCC1	285229561	VIUQUEJENHWJBD-LLVKDONJSA-N	319.361	1.539	50	20	DDGD	
O=C(NNc1ncncc1F)c1cccc([C@H]2CCOC2)c1	294151048	VAWJSBCCSVPCGY-LBPRGKRZSA-N	302.309	1.877	50	20	DDGD	
C[C@H](OCCc1ccccc1)C(=O)NNC(=O)[C@@H]1CCCCO1	295254142	ALMPATPBQXHQAZ-ZFWWWQNUSA-N	320.389	1.351	50	20	DDGD	
O=C(NNc1ncccc1F)C(=O)Nc1scnc1C1CC1	807302490	WTLLCMUCWIKXJX-UHFFFAOYSA-N	321.337	1.636	50	20	DDGD	
Cc1c(C(=O)NNc2ncccc2F)cnn1-c1ccccn1	804219623	CNSMVPAVOWTFKM-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
Cc1ccc(F)cc1S(=O)(=O)NNC(=O)[C@H]1CCCCO1	296846540	XRTWQHQKZFXAEZ-LLVKDONJSA-N	316.354	1.013	50	20	DDGD	
N#C/C(=C\c1ccccc1)C(=O)OCc1ncnn1CCF	801322489	NBTKKUXFXWYCJR-MDWZMJQESA-N	300.293	1.898	50	20	DDGD	
CCCNC(=O)NNC(=O)c1nn(-c2ccc(F)cc2)cc1C	801141183	ZKQPCDRGRJHMBD-UHFFFAOYSA-N	319.340	1.674	50	20	DDGD	
C[C@@H]1CCCN(C(C)(C)CNC(=O)NNc2ncncc2F)C1	292592218	AZCWEAYEZHJBKI-LLVKDONJSA-N	324.404	1.752	50	20	DDGD	
CC(C)(C)C(=O)Nc1ccc(C(=O)NNC(=O)CC2CC2)cn1	295514164	FROHKZSTUQFIED-UHFFFAOYSA-N	318.377	1.627	50	20	DDGD	
Cc1ccc(Br)nc1C(=O)NNC(=O)CC1CC1	294289728	WEDWJPYLCCKWKV-UHFFFAOYSA-N	312.167	1.714	50	20	DDGD	
COc1cccc(C(=O)CCCC(=O)NNc2cccnn2)c1	293423001	IJNPZCBCBIXCEQ-UHFFFAOYSA-N	314.345	1.982	50	20	DDGD	
Cc1cc2c(cc1C)[C@H](C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)CO2	294066858	BKELQFNCUKSFJF-YUTCNCBUSA-N	318.373	1.494	50	20	DDGD	
CC(C)C(Cn1cccn1)=NNC(=O)C(=O)Nc1ccccn1	802710991	KSHDBZMRFMHZHI-UHFFFAOYSA-N	314.349	1.045	50	20	DDGD	
CC(=O)N[C@@H](CC(C)C)C(=O)NNc1ccc([N+](=O)[O-])cc1C	805379766	ONPIAJYLECEACN-AWEZNQCLSA-N	322.365	1.897	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2sccc2-n2cccc2)O1	293766561	AFEGGGLMQDFZFL-JQWIXIFHSA-N	319.386	1.867	50	20	DDGD	
COc1ccc(C=NNC(=O)N2CCN(C)CC2)c(C)c1OC	807984222	JJXBNXYGBYXPLM-UHFFFAOYSA-N	320.393	1.303	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)c1cnn(CCF)c1	807093931	QOBQJJMWHNVWBX-UHFFFAOYSA-N	306.326	1.614	50	20	DDGD	
C[C@@H](Cc1cccs1)NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	297228162	YCJVCVSVIYKAFV-NHCYSSNCSA-N	311.407	1.577	50	20	DDGD	
CNC(=O)COc1cccc(CC(=O)NCC(Cl)Cl)c1	294522016	UTDPVTZPNWEDOG-UHFFFAOYSA-N	319.188	1.274	50	20	DDGD	
Cc1nn(-c2ccccn2)c(C)c1C=NNC(=O)c1cnn(C)c1	802710675	BNPYLOBUXKTWRZ-UHFFFAOYSA-N	323.360	1.382	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CSC(F)F)c1	299243555	LJGBZAFMCKWPGC-UHFFFAOYSA-N	304.318	1.477	50	20	DDGD	
CN(NC(=O)c1cccc([N+](=O)[O-])c1N)C(=O)OC(C)(C)C	297600171	JABXTRNCDSSYSE-UHFFFAOYSA-N	310.310	1.689	50	20	DDGD	
CC[C@H](C)[C@@H](CNC(=O)NNC(=O)c1ccccc1OC)OC	296652052	NMUQDJHHQDKLSW-SMDDNHRTSA-N	323.393	1.700	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccnn1-c1ccccc1	295318349	GKEVVDRGOOFRGK-CQSZACIVSA-N	314.345	1.202	50	20	DDGD	
CN(C)S(=O)(=O)c1cccc(C(=O)NN=CCCC2CC2)c1	807949766	MAMBDLIKDUHGKF-UHFFFAOYSA-N	323.418	1.843	50	20	DDGD	
O=C(C[C@H]1OC(=O)c2ccccc21)NNc1ncncc1F	817071359	RPNHVPNQGJFSHC-LLVKDONJSA-N	302.265	1.361	50	20	DDGD	
Cn1c(=NNC(=O)[C@@](C)(O)C2CCC2)sc2ccccc21	813404371	WNKWJUIMUWMUNS-HNNXBMFYSA-N	305.403	1.723	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@]2(C)CC2(F)F)cc1OC	817421782	LHGSKXLWOUPDKD-ZDUSSCGKSA-N	314.288	1.510	50	20	DDGD	
CC(=O)Nc1ccc(Cl)c(C(=O)NNc2ncncc2F)c1	817078318	ZFVZUVFEDPTEAD-UHFFFAOYSA-N	323.715	1.984	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cn1nc(C(F)(F)F)cc1C	810584901	JHWNQKVBNWDYQQ-UHFFFAOYSA-N	321.303	1.341	50	20	DDGD	
CC[C@H]1CN([C@H](C)C(=O)NNC(=O)CC(C)C)C[C@@H](CC)O1	817280395	DXVSWFWWJYWLCL-MCIONIFRSA-N	313.442	1.458	50	20	DDGD	
COc1cccc(-c2n[nH]cc2C=NNC(=O)C(C)(C)O)c1	814909745	NFNIIJGQRQZOAM-UHFFFAOYSA-N	302.334	1.306	50	20	DDGD	
O=C(CCCc1ccc(O)c(F)c1)NNc1ncncc1F	817077590	NASDCCKLGSEJSO-UHFFFAOYSA-N	308.288	1.926	50	20	DDGD	
O=C(NN=C[C@@H]1CCCOC1)c1cc(Br)c[nH]1	814780216	JAIQOTUUBPLCDC-QMMMGPOBSA-N	300.156	1.919	50	20	DDGD	
CS(=O)(=O)c1cc(C(=O)NCCCSC#N)cs1	819699073	RYZFZSXPZMSMHY-UHFFFAOYSA-N	304.418	1.486	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)C1(c2cccc(F)c2)CCOCC1	821218351	ZLJDBGJKTCBPIE-LBPRGKRZSA-N	310.369	1.218	50	20	DDGD	
CCCN(N=Cc1cn(CC(=O)O)nn1)C(=O)OC(C)(C)C	496198424	ZYVAFOCOEPIPED-UHFFFAOYSA-N	311.342	1.344	50	20	DDGD	
CC(C)OCCCNC(=O)/C(C#N)=C/c1c[nH]c(C(=O)O)c1	827027501	MWQAZAVAMSGQBF-WUXMJOGZSA-N	305.334	1.551	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@@H]3CCC(=O)NC3)nc12	828362049	AYCUTCRPSHLZBF-SECBINFHSA-N	304.375	1.574	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NN(C)[C@H](C)CO)cc1OC	823934536	HIWSSGQYDVLJNF-NWDGAFQWSA-N	310.394	1.226	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@]2(C)CC=CCC2)cc1	822221993	PRAUGTGLKDNZFC-KRWDZBQOSA-N	315.373	1.827	50	20	DDGD	
CC(C)(C)CC=NNC(=O)COc1ccccc1-c1nn[nH]n1	824085493	DRUXGJCRQDHWBI-UHFFFAOYSA-N	316.365	1.784	50	20	DDGD	
C[C@@H]1Cc2cc(C(=O)NNC(=O)NCc3ccco3)ccc2O1	823793036	JEVKSUYYFMUVGJ-SNVBAGLBSA-N	315.329	1.747	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)CBr)CC2(CCCC2)O1	828382999	ZJGUPXOYFPOFBT-VIFPVBQESA-N	312.229	1.702	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)c(OC)c1	823148473	OGDYQSQQNVFUIR-SUNKGSAMSA-N	318.373	1.901	50	20	DDGD	
CCN(Cc1ccccc1)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	827314669	INPHYYQDSHUNRL-TZMCWYRMSA-N	305.378	1.674	50	20	DDGD	
COc1cccc([C@H](C)NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	825686307	GTAYHNCHOYDOJE-COPLHBTASA-N	321.377	1.512	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2C[C@@H]2c2sccc2C)nc(N)n1	828371869	OLONEEMWKVKJDG-UWVGGRQHSA-N	303.391	1.984	50	20	DDGD	
ICCN1CCC[C@H](n2ccnn2)C1	823469193	QYMXPJYLXOXCEV-VIFPVBQESA-N	306.151	1.350	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@@](C)(O)CSc1cccc(F)c1	823921687	AITWAJCPJKWAEJ-YGRLFVJLSA-N	316.398	1.013	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=O)NCCc2cccs2)CC1	822786606	TUFFXKBEAQKPLH-UHFFFAOYSA-N	309.391	1.380	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(N(C)C)c2ccccc2n1	823884764	IYZGOMDEJKVSQH-UHFFFAOYSA-N	302.378	1.260	50	20	DDGD	
O=C(CSC1CC1)NNC(=O)c1cc(-c2cccs2)[nH]n1	827018232	GMKYCTMQPCZESL-UHFFFAOYSA-N	322.415	1.795	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(OC)c(Br)s1	823869735	OTNKXPPIMVPKET-UHFFFAOYSA-N	323.212	1.478	50	20	DDGD	
CC(=NNC(=O)NCCNC(=O)OC(C)(C)C)c1ccoc1	493501266	VWUHKKGHDSVJSW-UHFFFAOYSA-N	310.354	1.828	50	20	DDGD	
CC1(c2cc(NC(=O)NNC(=O)c3cc[nH]n3)no2)CCCC1	823062743	OKSGKRVVZHWPEX-UHFFFAOYSA-N	318.337	1.696	50	20	DDGD	
CO[C@@]1(CNC(=O)/C(C#N)=C\c2ccc(F)cc2)CCOC1	490881617	YQZHELIIKIIMFW-LPDYGMJQSA-N	304.321	1.654	50	20	DDGD	
OB(O)c1ccccc1CNC[C@@H]1C[C@H]1c1c(F)cccc1F	585043716	UGOUTWPYDBVDGL-QWHCGFSZSA-N	317.144	1.538	50	20	DDGD	
CC(C)COc1ccc(CNCc2cccc(B(O)O)c2)cc1	585017095	LJTSHFCYARTKCT-UHFFFAOYSA-N	313.206	1.691	50	20	DDGD	
COc1cccc(C(=O)N2CC[C@H](B(O)O)C2)c1OC(C)C	585065956	HAVHZIPPVSCUCH-NSHDSACASA-N	307.155	1.171	50	20	DDGD	
CC(=NNC(=O)c1ccnc(N(C)C)c1)c1cn(C)nc1C	731562198	QALIPWKQVFNYMM-UHFFFAOYSA-N	300.366	1.344	50	20	DDGD	
O=C(C[C@H]1CCOC1)NNC(=O)c1cccc(OC(F)F)c1	739552284	RQIWHIWBLUNBJI-SECBINFHSA-N	314.288	1.476	50	20	DDGD	
Cc1ccc2c(c1C)N(CC(=O)NNC(=O)C(C)C)CCC2	832722579	KWEYXZDKRQVEJC-UHFFFAOYSA-N	303.406	1.859	50	20	DDGD	
CC(C)NC(=O)CCCC(=O)NNc1ccccc1C(=O)O	833501853	KNCHWZNLUBYDGV-UHFFFAOYSA-N	307.350	1.523	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cccc(-n2cccc2)c1	833262875	ZGWORYSQYPIIKS-HNNXBMFYSA-N	313.357	1.807	50	20	DDGD	
CCS(=O)(=O)N[C@H](C)C(=O)NNc1c(F)cccc1Cl	832358336	WUNJMJBRLFZSCG-SSDOTTSWSA-N	323.777	1.250	50	20	DDGD	
O=Cc1cccc(OCC(=O)NNC(=O)NCc2ccco2)c1	733256577	UGOSNDRYNMVGSB-UHFFFAOYSA-N	317.301	1.002	50	20	DDGD	
CN(NC(=S)Nc1ccc(C(N)=O)cc1)C(=O)OC(C)(C)C	490948445	QUQOLEVSGDSGPN-UHFFFAOYSA-N	324.406	1.854	50	20	DDGD	
C#Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)nc1	736091441	SXSMDPZWFQYUTE-UHFFFAOYSA-N	312.237	1.889	50	20	DDGD	
CCc1c(C(=O)NNc2ccccc2S(C)(=O)=O)cnn1C	732304044	QAOWFYNHJFYSLG-UHFFFAOYSA-N	322.390	1.143	50	20	DDGD	
CCC[C@H](C)N(C)CC(=O)NNC(=O)c1ccc(C#N)cc1	839461747	DDDLFPIVDWIRGB-LBPRGKRZSA-N	302.378	1.440	50	20	DDGD	
O=C(O)Nc1ccc(C(=O)NNC(=O)Cc2ccsc2)cc1	738660301	HXBIQGIRRMJKDO-UHFFFAOYSA-N	319.342	1.842	50	20	DDGD	
CCC(C)(C)OCCNC(=O)NNC(=O)N=c1cc[nH]cc1	836690868	ZTTNOSSOXBNFBF-UHFFFAOYSA-N	309.370	1.044	50	20	DDGD	
CCCCN(CC(F)(F)F)C(=O)c1cc(B(O)O)ccc1F	584934977	VHAZAXAIJUDDSZ-UHFFFAOYSA-N	321.079	1.310	50	20	DDGD	
Cc1csc(CCCCNCc2ccc(B(O)O)cc2F)n1	585019879	JASKSPFDAMKDQR-UHFFFAOYSA-N	322.214	1.383	50	20	DDGD	
C#CCOc1cccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	831448450	XXKDFJDTBWZHMN-SMDDNHRTSA-N	317.345	1.276	50	20	DDGD	
CC1(C)C[C@H](NCc2ccc(B(O)O)o2)c2ccccc2O1	585031670	WXMKJXYYQDYNAU-ZDUSSCGKSA-N	301.151	1.351	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCc1ccc(CCO)cc1	908263921	KRGMKIFEOGPBDN-UHFFFAOYSA-N	319.854	1.906	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1nn(C)cc1C	839459190	HCSFTJAXFHDODS-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1C[C@H]1[N+](=O)[O-]	839540261	KCRGOKRBSIEWBD-HTRCEHHLSA-N	300.658	1.357	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	839748171	IDNFLIBILCHPEI-QMMMGPOBSA-N	313.285	1.766	50	20	DDGD	
O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)c1ccc(B(O)O)cc1	584951183	VTSVPRGBDKNYSU-WMZOPIPTSA-N	323.201	1.508	50	20	DDGD	
O=C(N1CCC(Cc2ccccc2)CC1)N1CC[C@@H](B(O)O)C1	585056706	VCORBKRUTDXCGJ-MRXNPFEDSA-N	316.210	1.610	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCCN(c3ccccc3)C2)cc1	585027866	FECFYDMMVOTNMY-QGZVFWFLSA-N	310.206	1.125	50	20	DDGD	
O=C(NN=C1CCCS(=O)(=O)C1)c1ccc2ccccc2n1	731922544	HYLULGQOCQFMLC-UHFFFAOYSA-N	317.370	1.529	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCC(C)(C)CC#N)cc1	838754767	GGJOGQRRKZMCEB-UHFFFAOYSA-N	318.377	1.644	50	20	DDGD	
CCC[C@@H](c1ccccn1)N(C)C(=O)c1ccc(B(O)O)cc1	584941421	JXASQMFCKMNMBI-INIZCTEOSA-N	312.178	1.375	50	20	DDGD	
C[C@H](CCc1cccc(F)c1)C(=O)NNC(=O)c1ncon1	832825576	ACJAORBGZLKEDA-SECBINFHSA-N	306.297	1.239	50	20	DDGD	
CC[C@@H]1CCCN1CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	839478149	CZOURSOKZNGICQ-GFCCVEGCSA-N	320.349	1.230	50	20	DDGD	
CN(NC(=O)NCCNc1ccc(C#N)cn1)c1ccccc1	918780753	PLJBBCKPGLGBBO-UHFFFAOYSA-N	310.361	1.716	50	20	DDGD	
O=C(NCc1nc(C2CC2)no1)NNc1cccc([N+](=O)[O-])c1	918233254	KANYPFCXYQCJMK-UHFFFAOYSA-N	318.293	1.682	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCc1ccc(-c2ccccc2)[nH]1	910169297	AFLOBXROOKRTHA-CYBMUJFWSA-N	301.390	1.958	50	20	DDGD	
O=C(NNc1ncccn1)[C@H]1CCCN(Cc2cccnc2)C1	749163436	BQQXUBZJONHZLO-AWEZNQCLSA-N	312.377	1.227	50	20	DDGD	
CC[C@@H](C)CN(C)CC(=O)NNC(=O)c1ccc(C#N)cc1	744400516	KSZPYHBTNMBDOB-GFCCVEGCSA-N	302.378	1.297	50	20	DDGD	
Cc1[nH]c(C(=O)NN(C)C[C@H](C)O)c(C)c1C(=O)OC(C)C	910180448	VKPFHCOTCBUPBI-VIFPVBQESA-N	311.382	1.154	50	20	DDGD	
O=C(COC(=O)CC1CCC1)NNC(=O)c1ccc(Cl)cc1	745570178	STEHCOMAVRTLTE-UHFFFAOYSA-N	324.764	1.834	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H](c1ccccc1)N1CCSCC1	746817898	LDOQTTJSPQVMQH-CQSZACIVSA-N	321.446	1.580	50	20	DDGD	
CC1(O)CCC(NC(=O)NNC(=O)c2ccc(C#N)cc2)CC1	749607654	GWCILWGULMMKPV-UHFFFAOYSA-N	316.361	1.196	50	20	DDGD	
CCc1n[nH]cc1C(=O)NN=c1sc2ccccc2n1C	918013934	AAIQROAJYVBQBQ-UHFFFAOYSA-N	301.375	1.771	50	20	DDGD	
O=C(NNC(=O)c1ccc(C(F)(F)F)cn1)c1cccnc1	844255028	HRNGTTGOLITIQQ-UHFFFAOYSA-N	310.235	1.570	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)CC(F)(F)F)C(=O)N2	917550398	HQJMGNXLIUNUPL-UHFFFAOYSA-N	301.224	1.420	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1ccc(NC(C)=O)cc1	916720667	ZHJKHERRFLJWJJ-VIFPVBQESA-N	309.391	1.683	50	20	DDGD	
COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)CC(F)(F)F)c1C	918363643	BESYAIWQVAZIPX-UHFFFAOYSA-N	321.255	1.132	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H]1CC[C@H]1C(N)=O	848227210	UXVSLXMCYBZGGC-HTQZYQBOSA-N	311.773	1.208	50	20	DDGD	
CCC1(C(=O)NNC(=O)Cc2nc3ccccc3n2C)CC1	749330720	SPYFFTDDAYIMMZ-UHFFFAOYSA-N	300.362	1.453	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc2ccsc2c1	843651746	FJZMSENRGRQNCK-SCZZXKLOSA-N	305.359	1.482	50	20	DDGD	
CO[C@H](CC(=O)NNC(=O)Nc1ccccc1)C(F)(F)F	846094085	KDUFNIYNYQHGEM-SECBINFHSA-N	305.256	1.807	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2ccc(CCN)cc2)n1	841932010	PLTCCANCLINMKM-UHFFFAOYSA-N	314.393	1.421	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)[C@@H]1CCCCO1)c1ccc(F)cc1	842151046	PNNQWCAVCUAPTI-STQMWFEESA-N	310.325	1.230	50	20	DDGD	
CCc1ccc(C(=O)NN=Cc2cnn(CCOC)c2)cc1	743426686	DCOPGPSFUSAUQB-UHFFFAOYSA-N	300.362	1.856	50	20	DDGD	
CC(C)(O)CCSCC(=O)NNC(=O)c1cccs1	848444688	SOPMLENGAAJLHJ-UHFFFAOYSA-N	302.421	1.403	50	20	DDGD	
CC(C)N(C)c1ccc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)cn1	842558675	HBTLISSPWRTOSR-TZMCWYRMSA-N	304.394	1.801	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)[C@H]2CC23CCCC3)C[C@@H](C)O1	747513953	SITZNBGQJVVRAC-HZSPNIEDSA-N	323.437	1.213	50	20	DDGD	
Cc1cc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c(C)s1	844341434	LXAGQLJDXBYSGO-NSHDSACASA-N	316.448	1.471	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2scnc2C)cc1	743425834	YBJGWDQOCUDBRA-UHFFFAOYSA-N	305.359	1.989	50	20	DDGD	
O=C(NNC(=O)c1cnc2cccnn12)NC1CCCCC1	845078540	CUACVGPLHSKZOO-UHFFFAOYSA-N	302.338	1.006	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@H](OC)C(F)(F)F)c1	845929495	UWSFTGOSJRYWLU-JTQLQIEISA-N	320.267	1.884	50	20	DDGD	
NC[C@H](NC(=O)NNC(=O)c1ccc(Cl)cc1F)C1CC1	841948284	UFJQBLCYKTXLBT-NSHDSACASA-N	314.748	1.160	50	20	DDGD	
CC[C@H](Nc1ccccc1)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843973458	LHFCDQNXLFFUCX-YUTCNCBUSA-N	305.378	1.450	50	20	DDGD	
Cc1cc(NNC(=O)NC[C@@H](C)S(C)(=O)=O)ccc1Cl	921636645	PMOGHHONKMLRRI-SECBINFHSA-N	319.814	1.708	50	20	DDGD	
CO[C@@]1(CNC(=O)NNc2ccc(Cl)cc2F)CCOC1	921984764	JRFKIWIZJXBSMB-CYBMUJFWSA-N	317.748	1.911	50	20	DDGD	
Cc1noc(C)c1NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	756287975	ZGMLJPSOPMNVEH-UHFFFAOYSA-N	319.277	1.666	50	20	DDGD	
CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)NNC(=O)C(C)C)C1	750295971	FHDNNCFYLKRCCE-NLQQUQSOSA-N	303.428	1.053	50	20	DDGD	
CNC(=S)N(C)NC(=O)C[C@H](C)Cc1ccccc1OC	854923602	BKFJISUCSFYTPV-LLVKDONJSA-N	309.435	1.731	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)NC[C@@H]2COCO2)cc1	923858954	AMCPATONOYOSGZ-CYBMUJFWSA-N	321.377	1.301	50	20	DDGD	
C[C@]1(CNC(=O)COC2CCOCC2)C[C@H]1Br	857396639	FSVDNJPCGMQMKK-ZYHUDNBSSA-N	306.200	1.472	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2C[C@@]23CCOC3)c1C	855625545	VSZLKMVLQUSQML-BLLLJJGKSA-N	304.346	1.651	50	20	DDGD	
CC(C[C@H]1CCOC1)=NNC(=O)c1cccc(S(C)(=O)=O)c1	751527583	WEHUWKOMZJSLQU-GFCCVEGCSA-N	324.402	1.622	50	20	DDGD	
CCC1(C)CCC(=NNC(=O)[C@H]2CCS(=O)(=O)C2)CC1	751520331	HQLLYKBXBXRPTA-ZSOXZCCMSA-N	300.424	1.884	50	20	DDGD	
CC[C@@](C)(O)C(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1	929331283	VHMMMHDLPZKTLH-MRXNPFEDSA-N	324.377	1.404	50	20	DDGD	
C[C@@H]1C[C@@H](CCNC(=O)NNc2ncc(Cl)cn2)CCO1	856885335	WMTDGTDTUFMMJE-ZJUUUORDSA-N	313.789	1.961	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@@H]1COC[C@@H]1C)c1ccccc1	926001376	YLGLCPCDGHKMLC-FPMFFAJLSA-N	305.378	1.546	50	20	DDGD	
Cn1nncc1NNC(=O)CCCCC(=O)c1ccc(F)cc1	857273574	QYKPSWSZICAJHA-UHFFFAOYSA-N	319.340	1.841	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CNC2(CC(C)C)CC2)cc1	852682809	NFAFUVILDOSJCS-UHFFFAOYSA-N	303.406	1.924	50	20	DDGD	
CC(C)NCC(=O)NNc1nc(-c2ccc(Cl)cc2)no1	852805643	HLEWZHOQMDVXBM-UHFFFAOYSA-N	309.757	1.831	50	20	DDGD	
Cc1ncsc1CCC(=O)NNC(=S)N[C@H](C)C1CC1	855096545	XIIJHIKIWZRDQP-MRVPVSSYSA-N	312.464	1.678	50	20	DDGD	
O=C(NNC(=O)[C@]1(C2CCCC2)CCNC1=O)C1CCCC1	858427659	FMTMWCFVUOTKSR-INIZCTEOSA-N	307.394	1.021	50	20	DDGD	
CCN1CCC(CNC(=O)NNC(=O)c2cc(C)cs2)CC1	858279605	KSGGQRGSTONSDW-UHFFFAOYSA-N	324.450	1.732	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccccc1NC(=O)NC(C)C	854928379	WNAMILJRPWBMJT-UHFFFAOYSA-N	323.422	1.297	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2cccc(C(=O)O)c2)CC[C@@H]1C(=O)O	853425897	IEEZFZGXCYRBGF-ZANVPECISA-N	318.329	1.991	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)ccc1O)c1cc(F)ccc1O	751059021	QUVPXQCENURUIB-UHFFFAOYSA-N	324.695	1.965	50	20	DDGD	
CCC(=NNC(=O)c1cc(OC)cc(OC)c1)c1nccn1C	755537063	UEMPLOAIPGJDPH-UHFFFAOYSA-N	316.361	1.981	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccnc(Cl)c1F)C1CC1	855098300	FSYXMJYGOSHPHJ-LURJTMIESA-N	316.789	1.782	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(OC)c(OC(F)F)c1	854925865	OLDXDYVTWZCCKS-UHFFFAOYSA-N	319.333	1.378	50	20	DDGD	
CN1C(=O)CC[C@@H]1C(=O)OC[C@H](CBr)C1CC1	859666644	RJLZNOQPXNUNBS-VHSXEESVSA-N	304.184	1.572	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H](NC=O)C(C)C)c1ccccc1	859328786	AGXQCXCARNKDFH-KBPBESRZSA-N	305.378	1.098	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)CO[C@@H]1CCCC[C@H]1C)C1CC1	855101103	PQOAWRPGMPKPLM-NTZNESFSSA-N	313.467	1.876	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)N1CC[C@@H]2C[C@@H]2C1	852068089	LQPSNOSCAXLFRS-ZIAGYGMSSA-N	312.373	1.724	50	20	DDGD	
Cn1ncc2c1C[C@H](C(=O)NNc1ccnc(Cl)c1)CC2	855465942	DMCBPEYNRIHCFL-SECBINFHSA-N	305.769	1.717	50	20	DDGD	
O=C(NN=Cc1ccc(F)cc1F)[C@@H]1CN2CCC[C@@H]2CO1	853386830	CEVIORDVUAGWGE-OCCSQVGLSA-N	309.316	1.278	50	20	DDGD	
COc1cccc(-c2cc(C(=O)NNC(=O)C(C)C)n[nH]2)c1	764546725	GLYNNCIZOAGEKE-UHFFFAOYSA-N	302.334	1.502	50	20	DDGD	
COCCOc1cncc(C(=O)NN[C@@H](C)C(F)(F)F)c1	862320824	WADWGWHPMQWSHP-QMMMGPOBSA-N	307.272	1.292	50	20	DDGD	
C[C@@H](NNC(=O)C1CCC(C(=O)N(C)C)CC1)C(F)(F)F	862322772	PKOZPEDQGKNWKV-XNWIYYODSA-N	309.332	1.453	50	20	DDGD	
COC[C@@H]1CCCCN([C@@H](C)C(=O)NNC(=O)CC(C)C)C1	767940774	MFDFRQBRWJAQEO-UONOGXRCSA-N	313.442	1.317	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H]2CCCc3nn[nH]c32)c1	862479491	QCGDPAFTNLGRGJ-QMMMGPOBSA-N	305.363	1.056	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	862992441	FSKKNEOAYHWTTK-LBPRGKRZSA-N	320.349	1.229	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Nc1nc2ccccn2n1	760037321	OCLWWDUCEDDYKV-UHFFFAOYSA-N	310.317	1.504	50	20	DDGD	
COc1nccnc1NNC(=O)Cc1ccc(-n2cccc2)cc1	764481994	QDHHYRLIAUKWBR-UHFFFAOYSA-N	323.356	1.962	50	20	DDGD	
C[C@H](NNC(=O)/C=C/CN(C)CC(F)(F)F)C(F)(F)F	862320266	HKBCZRBKKJQXMY-SDLBARTOSA-N	307.238	1.608	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCc2cc(Cl)cs2)n[nH]1	765586817	BKNWNOIAFHOWSV-UHFFFAOYSA-N	312.782	1.827	50	20	DDGD	
Cc1nn2c(C=NNC(=O)c3ccc(N)cc3)c(C)nc2s1	765549620	XRZBIEMDDXVKEX-UHFFFAOYSA-N	314.374	1.754	50	20	DDGD	
CC(=NNC(=O)CS(C)(=O)=O)c1cccc(OC(F)F)c1	863188283	BDTARQYWXGEMQH-UHFFFAOYSA-N	320.317	1.173	50	20	DDGD	
O=S(=O)(CBr)NC[C@H]1CCCCN1C1CC1	766206974	KKCFKZVMFFFLQB-SNVBAGLBSA-N	311.245	1.275	50	20	DDGD	
C=CCNC(=S)NNC(=O)C[C@H]1COc2cc(OC)ccc21	760372825	XWIGVZGGRYRMAT-JTQLQIEISA-N	321.402	1.243	50	20	DDGD	
CCOc1ccc(NNC(=O)Cn2cc(C(=O)OC)cn2)cc1	861831569	YLABXVUBIDCJLI-UHFFFAOYSA-N	318.333	1.212	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)C(=O)Nc1cccc(Cl)c1	764112609	MJLHALIBBVWYHE-UHFFFAOYSA-N	323.658	1.378	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)CCN1CCOC1=O	862287102	NHOIQJDPMKBVGZ-UHFFFAOYSA-N	321.333	1.129	50	20	DDGD	
C[C@H](NNC(=O)[C@H]1CC(c2cccc(F)c2)=NO1)C(F)(F)F	862307788	PTOPLFKWSWESIS-WRWORJQWSA-N	319.258	1.890	50	20	DDGD	
Cc1cc(C(=O)NN=C2C(=O)Nc3cccc(Cl)c32)n[nH]1	764794594	BZJJWISTMINOPZ-UHFFFAOYSA-N	303.709	1.458	50	20	DDGD	
CC[C@@H](C(=O)NNCC(F)(F)C(F)(F)F)N(CC)CC	863095608	SCZBVQQHOCSZKC-QMMMGPOBSA-N	305.291	1.925	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)C1Cc2ccccc2C1	762961593	LLHLZZJHFUTABZ-UHFFFAOYSA-N	301.268	1.294	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1	763832233	MXQTZOLJXONXBT-UHFFFAOYSA-N	318.160	1.735	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H](C)COCc1ccccc1	875143880	ZMHWWNWCYGLABR-LBPRGKRZSA-N	309.366	1.752	50	20	DDGD	
CC1(C)CC(=NNC(=O)c2ccc(-n3cnnn3)cc2)CCO1	872336195	UZFRNTOSNFYGLB-UHFFFAOYSA-N	314.349	1.337	50	20	DDGD	
Cc1cc(=NNC(=O)NCC2(c3ccccn3)CCC2)cc[nH]1	875579768	QMWGTWCEHIUPLW-UHFFFAOYSA-N	311.389	1.955	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1CCc2cccc(C(=O)O)c21	872335371	NFVKQPWLMDVAJF-UHFFFAOYSA-N	317.389	1.883	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)C1(Br)CC1	874272884	OZABVVRJIDZKDV-UHFFFAOYSA-N	324.138	1.502	50	20	DDGD	
N#CCCN(CC(=O)NNC(=O)c1cccs1)CC1CC1	777593943	BEOXYPXCDGNVGQ-UHFFFAOYSA-N	306.391	1.135	50	20	DDGD	
C[C@@H](O)c1ncc(C=NNC(=O)c2ccnc(N(C)C)c2)s1	773054444	QPECQLHZCQSIKV-SECBINFHSA-N	319.390	1.421	50	20	DDGD	
CN(C)c1cnc(C(=O)NNc2ccccc2[N+](=O)[O-])cn1	779643751	YFZZUUVNSXRUTH-UHFFFAOYSA-N	302.294	1.208	50	20	DDGD	
CC(=O)CCCC(=O)NNC(=O)Cc1c[nH]c2ccccc12	771833681	RBAVOOXZZSYFIM-UHFFFAOYSA-N	301.346	1.617	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc(O)n1	777276916	XGODRRSFNIXKJU-UHFFFAOYSA-N	319.748	1.753	50	20	DDGD	
COC(=O)CNC(=O)NN=C1C[C@@H]2CCCc3cccc1c32	779820490	BNVIDAYRDURTPK-NSHDSACASA-N	301.346	1.687	50	20	DDGD	
CC(C)[C@@]1(C)C[C@@H]1C(=O)OCC(=O)NNC(=O)c1cccs1	775077673	OHJOKJHXLSFWKP-MEBBXXQBSA-N	324.402	1.735	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)CS(=O)(=O)C(C)C	885125052	JDIZDDBIQDDNAN-UHFFFAOYSA-N	304.799	1.915	50	20	DDGD	
OC[C@@H]1CCCN1Cc1cn(/C=C\CBr)nn1	881294698	AISZTDLHJDWZAG-ZYVOWACSSA-N	301.188	1.100	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cc(F)cc(C(F)(F)F)c1	779821123	OQVIRFXFDXEMEJ-UHFFFAOYSA-N	321.230	1.651	50	20	DDGD	
O[C@@H](Cc1cn(/C=C\CBr)nn1)c1ccccn1	881294759	CBUSIWZGXPXRDI-MIBUCLJRSA-N	309.167	1.815	50	20	DDGD	
CC(C)CS(=O)(=O)CCC(=O)NNc1ccc(F)c(F)c1	885110998	QFDOFHKGUSRWRP-UHFFFAOYSA-N	320.361	1.869	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1ccccc1Br	887142863	CSWOPAGJZCUIGU-UHFFFAOYSA-N	323.190	1.943	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@](O)(CC)c1cccc(Cl)c1	887148007	KTWXYIVTQXSLNF-INIZCTEOSA-N	322.792	1.889	50	20	DDGD	
O=C(CN1CCc2ccccc2C1=O)NNC(=O)c1ccccc1	788725114	MHMAPHRTYRAZKJ-UHFFFAOYSA-N	323.352	1.146	50	20	DDGD	
CC(C)[C@@H](F)C(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1	784399236	KDEGMHTXBKCPQR-SECBINFHSA-N	324.360	1.724	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N1C[C@H]2C=C[C@H]1C2	883416598	ZISJROWASUAYLF-RYUDHWBXSA-N	311.345	1.257	50	20	DDGD	
COC1(C(=O)NNC(=O)CSc2ccc(C)cc2)CCC1	781587102	VARXIFYZHNIXBE-UHFFFAOYSA-N	308.403	1.804	50	20	DDGD	
O=S(=O)(CCCCCl)NC[C@H](CO)Cc1ccccc1	780785991	DLRFKRIWCMUEKK-CQSZACIVSA-N	319.854	1.776	50	20	DDGD	
CN1CCN(C(=O)CN(C)C(=O)C2CCC(Cl)CC2)CC1	1123844554	HUXICLPGANTJKJ-UHFFFAOYSA-N	315.845	1.016	50	20	DDGD	
CN1C[C@H](C(=O)NNC(=O)C(C)(C)C)c2ccccc2C1=O	784838058	KUBRZTPIRWICPA-LBPRGKRZSA-N	303.362	1.049	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2	783484932	VVWKUEDHFMDHKW-SDDRHHMPSA-N	306.337	1.788	50	20	DDGD	
CO/C(=C\c1ccccc1)C(=O)NNC(=S)NC(C)(C)C	899995928	JTRLNQNNPFDLKO-BENRWUELSA-N	307.419	1.968	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc3c(c2)NC(=O)CO3)nc1	781515797	HEPSDPMBJIWNKQ-UHFFFAOYSA-N	314.301	1.178	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H]2CCC[C@H]2OC)c1	780841014	JPORZCWYRIPZAZ-TZMCWYRMSA-N	321.377	1.914	50	20	DDGD	
CN(C)C(=O)c1cccc(/C=C(/C#N)S(=O)(=O)NC2CC2)c1	899369257	SOFOGDXEONSGHP-ZROIWOOFSA-N	319.386	1.335	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCC(F)(F)F)nn1C(C)(C)C	798315445	UVHYJGCKKPXGPT-UHFFFAOYSA-N	321.303	1.453	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)N2CCN(C)CC2)C[C@@H]1C	790179042	QPDCWZWVBKRPDW-JSGCOSHPSA-N	324.425	1.299	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1	791023777	RYGQHXSLEYGDSM-SECBINFHSA-N	302.252	1.503	50	20	DDGD	
CCn1cc(NC(=O)NNC(=O)c2cccc(C)n2)ccc1=O	794750766	DTNORLXOYNTREL-UHFFFAOYSA-N	315.333	1.038	50	20	DDGD	
CC[C@H](CN1CCCC1)NC(=O)NNC(=O)c1cccc(C)n1	793094299	UZBGLQLTQZYKJC-CYBMUJFWSA-N	319.409	1.208	50	20	DDGD	
C[C@H]1CCC[C@H](OCC(=O)NNC(=O)NCC(F)(F)F)C1	798314013	SMEDHAOZETWDRR-IUCAKERBSA-N	311.304	1.474	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNC(=O)COc1ccc(C)c(C)c1	794612482	CGILJTNUSJHFGW-MRXNPFEDSA-N	303.362	1.770	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCC1(CC#N)CC1)c1ccccc1	797563337	WDMYEPROXOSIQI-UHFFFAOYSA-N	314.389	1.988	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H](C)CCC(=O)OC(C)C)nc1	793151054	MGXZYARFZLCMPS-NSHDSACASA-N	324.381	1.837	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)c2cccc(C#N)c2)on1	793000089	SKFHRCCISYSYJX-UHFFFAOYSA-N	312.285	1.487	50	20	DDGD	
Cc1cccc(OCC(=O)NN=C2CC(=O)N3CCCC[C@@H]23)c1	799467938	KDBZLXQWOWLLNO-HNNXBMFYSA-N	315.373	1.631	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2CC(C)(C)C2)cc1OC	794608194	FWROGVBWBDKGIS-UHFFFAOYSA-N	306.362	1.901	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(F)n1	793017396	DNDQEDNLSOKHNP-UHFFFAOYSA-N	319.252	1.211	50	20	DDGD	
O=C(NC[C@H]1CCC2(CCCCC2)O1)NNC(=O)C1CCC1	790628787	HFPDPCIBTRNAFY-CYBMUJFWSA-N	309.410	1.999	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1ccc(Cl)c(OC)c1	790168875	QDYKFYOQOSDIFE-ZDUSSCGKSA-N	307.781	1.889	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2[nH]ccc2C)c1	798106720	LRUBOCAUYRANNC-UHFFFAOYSA-N	302.334	1.205	50	20	DDGD	
COC(=O)CCNS(=O)(=O)c1ccc(CCCl)cc1	37842938	WQRDJOQJKXEEHQ-UHFFFAOYSA-N	305.783	1.309	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1O)n1cccc1	1319598085	FACTYINWSDMUKP-SECBINFHSA-N	307.737	1.869	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCc2cn(C)nc2C)c1	1319951546	YAZOADVNXCFNQD-UHFFFAOYSA-N	316.361	1.591	50	20	DDGD	
C[C@@H]1CC[C@@H](CCC(=O)NNC(=O)c2n[nH]c3c2CCCC3)O1	1323282707	HFXVCYRDICFVLH-MNOVXSKESA-N	320.393	1.397	50	20	DDGD	
CC(C)(C)OC(=O)CCCC(=O)NNC(=O)c1ccncc1	1329539735	ANQSNGIYBAWCJC-UHFFFAOYSA-N	307.350	1.355	50	20	DDGD	
Cc1ccccc1OCCC(=O)NNc1cc(Cl)nc(N)n1	1320514317	UARCWBZYBNHHQG-UHFFFAOYSA-N	321.768	1.933	50	20	DDGD	
CC(C)C1CCC(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CC1	1328130353	CMQQAVOCZOYPNK-BLYZHGLHSA-N	311.426	1.957	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1ccc2nnc(C(F)F)n2c1	1254404643	ZSTKTSPAONGSEN-UHFFFAOYSA-N	322.250	1.958	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCCc1cc(OC)cc(OC)c1	1336368222	SIDRDHQUQYBKKL-ACCUITESSA-N	304.346	1.806	50	20	DDGD	
CC(C)CN1CCC[C@H]1C(=O)NNC(=O)OCC(F)(F)F	1337350627	SGKLUKKMGNVBEI-VIFPVBQESA-N	311.304	1.427	50	20	DDGD	
CC[C@H](C)n1nccc1C(=O)NNC(=S)Nc1ccccn1	1263894331	BBKPBJCVHMFWNX-JTQLQIEISA-N	318.406	1.881	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)C[N+](C)(C)C)CCS2	1344406493	SMAWLTUSKGUBBK-UHFFFAOYSA-O	308.427	1.718	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@H]1C(=O)NNC(=S)Nc1ccccn1	1349007385	UGPBJGREECBOHD-MWLCHTKSSA-N	306.391	1.405	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2cc(C)[nH]n2)c(Cl)n1	1517724498	SKEZSCJSZVOPCZ-UHFFFAOYSA-N	308.729	1.541	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccccc1-n1ccc(C2CC2)n1	1521670532	GGYLLUNLSIIPCB-LBPRGKRZSA-N	314.389	1.707	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1)N[C@@H]1CC=C(C(=O)O)C1	1601555111	PPXWEXRUFQZLDA-LLVKDONJSA-N	323.736	1.457	50	20	DDGD	
Cc1ccccc1CC(=O)NN=Cc1c(C(=O)O)cnn1C	1605355702	KIAFEZTVAWAYJJ-UHFFFAOYSA-N	300.318	1.120	50	20	DDGD	
Cc1nn(C)c(Cl)c1C(=O)NNc1ccccc1C(=O)O	1600771998	CNFDNDCXRNSDLI-UHFFFAOYSA-N	308.725	1.837	50	20	DDGD	
Cc1n[nH]c(C)c1CCC(=O)NNc1ccc(C(=O)O)cn1	1607937338	UBZWCTJYKSIPCX-UHFFFAOYSA-N	303.322	1.196	50	20	DDGD	
O=C(O)C[C@@H]1COCCN1C[C@@H](CBr)C1CC1	1601963723	PNNNDYNAKPPWHE-GHMZBOCLSA-N	306.200	1.583	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@]1(C(=O)O)CCSC1	1601045568	GAXFCMHHPRUCGG-QARUFBMTSA-N	318.354	1.376	50	20	DDGD	
Cc1cccc(NNC(=O)c2cc(O)cc(-c3nn[nH]n3)c2)c1	1605920048	WSZJKKUOLQXRPE-UHFFFAOYSA-N	310.317	1.638	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1	1605918943	QAMFOFREFVDHOW-UHFFFAOYSA-N	317.740	1.914	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cnc(C(=O)O)cn1	1600305261	SZSNGMJFTBQJSZ-UHFFFAOYSA-N	317.261	1.148	50	20	DDGD	
Cc1ccc(/C=C(/C#N)C(=O)OCCCC(=O)C(=O)O)cc1	1600396662	DBCPZWHDJKNICV-LCYFTJDESA-N	301.298	1.879	50	20	DDGD	
O=C(O)CCC[C@H]1CCCC(=NNC(=O)[C@@H]2COCCO2)C1	1608708952	BPJDYRBRTKPCTG-YPMHNXCESA-N	312.366	1.319	50	20	DDGD	
C[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)CCl)C2	1801949085	XEJHXIDBZQAFPV-YFKTTZPYSA-N	316.829	1.270	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C=NNC(=O)c1ccccn1	1552447221	FHDOFXBGNKKWTN-IUODEOHRSA-N	313.361	1.699	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H]2CC[C@H](N)CC2)c1	1579672960	QUORVPCLRVWXPH-HDJSIYSDSA-N	319.405	1.347	50	20	DDGD	
CNCCc1ccccc1C(=O)NNc1ncc(F)cc1F	1578716089	IQDHHEFRUFSRJQ-UHFFFAOYSA-N	306.316	1.879	50	20	DDGD	
CC(C)C[C@@H](N)CC(=O)NNC(=O)c1cc2ccccc2o1	1575631634	PNKJJSPIVAFVKU-GFCCVEGCSA-N	303.362	1.957	50	20	DDGD	
CC(=NNC(=O)C(=O)O)c1ccc(N2CCCCCC2)cc1	1589011420	XVXYZWLJJHVFMA-UHFFFAOYSA-N	303.362	1.992	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H](C(=O)O)C(C)C)n1	1589729010	ZZJCCGIULRZVFE-NSHDSACASA-N	309.370	1.123	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](C)OC)C2	1845167843	WZNXBVFURYONRT-MNOVXSKESA-N	302.802	1.242	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2	1845164264	WINNZTCPICZCSR-LLVKDONJSA-N	309.797	1.511	50	20	DDGD	
Cc1ccccc1CC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1592254019	SGEYYCVREFACQS-UHFFFAOYSA-N	309.333	1.256	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)C(C)(C)C#N)C1	1841138004	GDHZMWCDACWUBE-NSHDSACASA-N	311.813	1.757	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)[C@H]1CO[C@@H](CCC(=O)O)C1	1594405009	PQFMOWCDQLBUQP-MNOVXSKESA-N	310.325	1.847	50	20	DDGD	
CC1(C)C[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCO1	1590078654	SDMKKNUZAMNHDQ-LLVKDONJSA-N	316.365	1.515	50	20	DDGD	
CCc1cc(C(=O)NNc2cccc(C(=O)O)c2F)n(C)n1	1597432021	VNGRSWLXTTZYTK-UHFFFAOYSA-N	306.297	1.577	50	20	DDGD	
CC1(C)CNCC[C@H](NC(=O)NNc2cccc(C(=O)O)c2)C1	1593955307	NUYZCJGWFXKQRM-ZDUSSCGKSA-N	320.393	1.789	50	20	DDGD	
O=C(CSc1ccc(O)cc1)NNc1ncccc1C(=O)O	1594703022	YFDNRYYOXDHDBB-UHFFFAOYSA-N	319.342	1.721	50	20	DDGD	
O=C(O)c1coc(C=NNC(=O)c2cnn(-c3ccccc3)c2)c1	1776043745	RYWIIMSXAQXHDT-UHFFFAOYSA-N	324.296	1.927	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=Cc1c[nH]c2c(C(=O)O)cccc12	1776102224	KGVBTKQLQVASPM-CHWSQXEVSA-N	315.329	1.741	50	20	DDGD	
C/C=C(/C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Cl)CCO2	1783079147	YCDQIMSHFUOWQU-BQBJPASHSA-N	318.776	1.317	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C[C@H](C)SC	162805765	JXVIKPLZBWACOZ-NSHDSACASA-N	310.419	1.917	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1ccnn1CC1CC1	160154790	ASONDLIDDIYCSC-UHFFFAOYSA-N	300.322	1.155	50	20	DDGD	
NC(=O)c1cccc(OCCC(=O)NNc2ccccc2F)c1	153190374	GHPCWPISANNHKX-UHFFFAOYSA-N	317.320	1.837	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccccc1N1CCCCCC1	155650151	MONCZESMTBQNOX-UHFFFAOYSA-N	320.393	1.602	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@H]2CCCCN2CC)n1	155740372	FRBVEOZNYGEMOW-CYBMUJFWSA-N	320.441	1.640	50	20	DDGD	
O=C(CCC(=O)NC1CCCC1)NNc1ccccc1[N+](=O)[O-]	157779438	ZHHYXOHPIKFTNH-UHFFFAOYSA-N	320.349	1.877	50	20	DDGD	
COc1ccc(NNC(=O)Cc2ccccc2[N+](=O)[O-])nc1	159424141	YLWDXKUNBZWPQM-UHFFFAOYSA-N	302.290	1.684	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2cn(C)c(=O)cc2C)n1	179893763	VWIFAZPLTKLIRX-UHFFFAOYSA-N	302.338	1.249	50	20	DDGD	
NC(=O)[C@@H](NNC(=O)c1ccc(Cl)cc1)c1ccccc1	26221958	ZCHDFVGLUFMYSN-ZDUSSCGKSA-N	303.749	1.801	50	20	DDGD	
N#C/C(=C/c1cnn(CCCl)c1)C(=O)NC[C@H]1CCCO1	103249924	BXELHCGMMDZLAI-MVXISAMASA-N	308.769	1.324	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cn(C)nc1-c1ccccc1Cl	108789763	LKIGJAZMJHVUHO-UHFFFAOYSA-N	321.768	1.657	50	20	DDGD	
NC(=O)c1cccc(NC(=O)NNc2ccc3ccccc3n2)n1	119636688	VUROQMRGDSWVRA-UHFFFAOYSA-N	322.328	1.877	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@@H]2C[C@H]2C2CC2)o1	175869963	JCBRSYIGMLBGHL-UONOGXRCSA-N	319.405	1.929	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NC[C@@H]1C[C@H]2CC[C@@H]1C2	170881613	WSORPAMOWBOVSY-YUTCNCBUSA-N	302.378	1.391	50	20	DDGD	
O=C(COc1ccccc1)NNC(=O)NCCc1cccs1	65204414	UFFCHVIEZFJTLH-UHFFFAOYSA-N	319.386	1.700	50	20	DDGD	
CSCc1ccc(C(=O)NNC(=O)c2cnn(C)c2)cc1	117681466	ZSPXJRNXDCYUIW-UHFFFAOYSA-N	304.375	1.358	50	20	DDGD	
Cc1oc(-c2ccccc2)nc1C(=O)NNC(=O)NC1CC1	68266750	QFLROAKNAALWDQ-UHFFFAOYSA-N	300.318	1.756	50	20	DDGD	
CC(=O)N[C@@H](CC(=O)NNc1cnccn1)c1ccc(C)cc1	114880724	FQRFCDFSJQSLAX-AWEZNQCLSA-N	313.361	1.496	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1c[nH]nc1-c1ccc(Cl)cc1	113425055	OSGZCPRTJYPTQJ-UHFFFAOYSA-N	321.768	1.053	50	20	DDGD	
O=C(NNC(=O)c1ccc(N2CCCC2)nc1)c1cccnc1	60373331	URLFJWKFCJKGFL-UHFFFAOYSA-N	311.345	1.152	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1ccc(Cl)nc1	171725266	AEBUWTBGKSJXME-UHFFFAOYSA-N	305.725	1.525	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1CC(=O)NNC(=O)c1ccccc1Cl	120129205	WANJEHGEAFMCFM-PHIMTYICSA-N	309.797	1.974	50	20	DDGD	
CCN(CC)CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	63662911	GQPOGBDYUVZYIY-UHFFFAOYSA-N	307.438	1.692	50	20	DDGD	
O=C(COCC(F)(F)F)NNC(=O)c1c[nH]c2ccccc12	121489699	JFVQNJJOQAXICX-UHFFFAOYSA-N	315.251	1.508	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	184003842	YINMSHAVJMJCJS-JGVFFNPUSA-N	301.268	1.510	50	20	DDGD	
CC(=O)Nc1ccc(NC(=O)NNC(=O)c2cccn2C)cc1	183231283	YLFMPBBHOVABDZ-UHFFFAOYSA-N	315.333	1.450	50	20	DDGD	
CC[C@H](COC)NC(=O)NNC(=O)c1c(C)nc2ccccn12	129300214	DPEIEMZNVXFVGK-LLVKDONJSA-N	319.365	1.012	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1	30034194	RDTHJPBSUBDPMU-QWRGUYRKSA-N	322.365	1.086	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccc(F)c(F)c1F	78733046	MYQCPGJCCXSFQF-UHFFFAOYSA-N	309.247	1.503	50	20	DDGD	
CCCn1cc(C(=O)NNc2nccc(N(CC)CC)n2)cn1	180349600	CRRZGFQKUFQZTM-UHFFFAOYSA-N	317.397	1.686	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1csc(-c2ccoc2)n1	186088800	ZITNBHVUHJFKLP-UHFFFAOYSA-N	317.330	1.130	50	20	DDGD	
Cc1cc2cc(NC(=O)NNC(=O)c3cnn(C)c3)ccc2[nH]1	184968336	ZXGINVQXLUQTPQ-UHFFFAOYSA-N	312.333	1.676	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@@]1(O)CCSC1	181280510	COUWSBAQCYRNRE-OAHLLOKOSA-N	303.387	1.854	50	20	DDGD	
COc1cc(F)ccc1NC(=O)NNC(=O)c1cccnc1	183605299	NBXSIKULAHWOTJ-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
CCC[C@H]1C[C@@H](C(=O)NNC(=O)Cn2nc(C)cc2C)CCO1	183446946	MKUWKHFBRQNCIS-KBPBESRZSA-N	322.409	1.243	50	20	DDGD	
Cc1cc(Br)ccc1CC(=O)NN(C)C(N)=O	182976965	YEAJCWRAWLHMFH-UHFFFAOYSA-N	300.156	1.342	50	20	DDGD	
CCC(CC)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12	44566502	LOSBZMYXRPWVLY-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
NNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1	192811606	KJYSKSRMBVGNGX-VIFPVBQESA-N	316.188	1.836	50	20	DDGD	
Cc1ccc(O)c(C(=O)NNc2nc3ccccc3c(=O)[nH]2)c1	137196667	CXAJEHASYFKKGZ-UHFFFAOYSA-N	310.313	1.694	50	20	DDGD	
CCOC(=O)NNC(=O)c1cccc(NC(=O)c2ccco2)c1	48401318	JYTXBUQNBZFTKS-UHFFFAOYSA-N	317.301	1.923	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cc(Cl)ccc1O	81024524	WLECDQWCOVIFLQ-UHFFFAOYSA-N	305.721	1.444	50	20	DDGD	
Cc1ccc(NNC(=O)NCCCN(C(C)C)C(C)C)nn1	80728777	YKUHQDHOTZUMBN-UHFFFAOYSA-N	308.430	1.920	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccc(Br)cc1F	190061927	JBOCPGMBFRTVCO-UHFFFAOYSA-N	319.130	1.120	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)[C@H]1C[C@@]12CCCc1ccccc12	190076242	KTQHXJXMCXVYLM-CXAGYDPISA-N	302.374	1.199	50	20	DDGD	
CCCNC(=O)c1ccc(NC(=O)NNc2cnccn2)cc1	92431158	KARNDRSBNMCSGS-UHFFFAOYSA-N	314.349	1.765	50	20	DDGD	
C[C@@H]1CCC[C@H]1CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	249068225	ZSQDYMCDVQSWHD-AGIUHOORSA-N	302.440	1.305	50	20	DDGD	
CN(C)N(C(=O)CCc1ccsc1)[C@H]1CCS(=O)(=O)C1	263973464	GDBOZXWULIJOKF-LBPRGKRZSA-N	316.448	1.173	50	20	DDGD	
O=C(CCc1nc(-c2ccco2)no1)NNC(=O)C1CCC1	264699793	JFQNIYHSCWZQPN-UHFFFAOYSA-N	304.306	1.210	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)C[C@H]3C[C@H]4CC[C@H]3C4)nc21	269321245	RYFNKQJJBXNOJV-LPEHRKFASA-N	316.365	1.338	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2sccc2CN(C)C)o1	268113650	MMXZUUHZRGEEEZ-UHFFFAOYSA-N	307.375	1.786	50	20	DDGD	
CC(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)C2CCC2)cc1	264815949	WPHWPOVFQKFZOL-UHFFFAOYSA-N	324.402	1.430	50	20	DDGD	
Cc1nnc2ccc(C(=O)NNC(=O)NC3CCCCC3)cn12	263830120	TYBYFNVCWYXKBV-UHFFFAOYSA-N	316.365	1.314	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)cc1	267567000	CERPRMVMPHXURK-VIFPVBQESA-N	321.402	1.381	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(C(C)C)nn1-c1ncccn1	274886598	GYLLYDVRAKPTAO-UHFFFAOYSA-N	319.325	1.178	50	20	DDGD	
C[C@@H](CO)CCCNC(=O)NNC(=O)Cc1ccccc1F	270483987	ISEWXSNHDMOZBS-LLVKDONJSA-N	311.357	1.107	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc2cn[nH]c2cc1C	276883006	BBIAVCKXWBTGMV-QMMMGPOBSA-N	317.349	1.003	50	20	DDGD	
O=C(NNC(=O)N1CCO[C@@H]2C[C@@H]21)c1cc2ccccc2o1	368643926	OSXQKAUMPISWAD-CMPLNLGQSA-N	301.302	1.260	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccccc1)C1Cc2ccccc2C1	272086740	LHPUBGBSGISFKJ-UHFFFAOYSA-N	323.396	1.547	50	20	DDGD	
COC(=O)NNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1	367581206	SODBDBARWLIRLB-UHFFFAOYSA-N	320.324	1.301	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)NOC2CCCC2)c1	271721502	LRSCMZXVYRKQBI-UHFFFAOYSA-N	321.377	1.887	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H]2CCCCS2)nc1C	272960253	PVTXSDQDWZNCAQ-NSHDSACASA-N	324.406	1.691	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@]1(O)CCO[C@@H]1C	279486856	MYNLYPLAWSEOSH-BXUZGUMPSA-N	315.801	1.008	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@]12CCOC2)c1cc(Cl)ccc1O	373409301	SMYVXQOWWNOIPY-HZMBPMFUSA-N	310.737	1.233	50	20	DDGD	
COC(=O)[C@]1(F)CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C1	278981662	DQFDJMUXEAZJDK-LJEUOOAZSA-N	318.304	1.413	50	20	DDGD	
COC1(CNC(=O)NNC(=O)COc2cccc(C)c2)CCC1	272380706	GQBZFOHYQSNCBS-UHFFFAOYSA-N	321.377	1.273	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)C(C)(C)c2ccccc2)CCO1	271309927	WOFAHJZHDDFSIL-GXTWGEPZSA-N	319.405	1.862	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2ccc(NC)nc2)n1	288508405	TYVXPQZMKDRIEM-UHFFFAOYSA-N	315.381	1.516	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl	286441022	RSGNAHHPGGLHDP-SSDOTTSWSA-N	304.705	1.976	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccc(NCC2CC2)nc1	282125146	GSXLNSAGMUALDO-UHFFFAOYSA-N	323.360	1.703	50	20	DDGD	
O=C(Cn1cnc2sccc2c1=O)NCC(Cl)Cl	288794352	FOPUFTAYWPQXCR-UHFFFAOYSA-N	306.174	1.378	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@@H]1CCCSC1	288064718	STQFRPJAHYOTNZ-NSHDSACASA-N	323.418	1.782	50	20	DDGD	
COC(=O)N(C)NC(=O)C[C@H]1CN(Cc2ccccc2)CCO1	286380907	OCOCWDOHPSXPJF-AWEZNQCLSA-N	321.377	1.007	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNC(=O)Nc1ccccc1	282884096	VNHQJMBWQRLHPS-UHFFFAOYSA-N	308.338	1.318	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Nc1ncc(C)s1	284111916	SZEZZNHVTJFQGX-UHFFFAOYSA-N	316.383	1.393	50	20	DDGD	
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NNc1cccc(F)n1	286140584	CAXYDOPTEFOHCQ-CYBMUJFWSA-N	320.324	1.711	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NNc1ccc2c(O)nccc2c1	285819120	WCWJHOSLWUSDIJ-GFCCVEGCSA-N	317.349	1.221	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)cc1	282638095	KEWLINQBDWYLPG-TYNCELHUSA-N	306.362	1.335	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1cc(C2CC2)[nH]n1	803428842	PSIWMVRGRYILGL-UHFFFAOYSA-N	309.329	1.886	50	20	DDGD	
CN(CCNC(=O)NNc1ncccc1F)CC(F)(F)F	805106703	HRCWWMGQEDBTKT-UHFFFAOYSA-N	309.267	1.341	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCO2)Nc1cccnc1	804028410	ORXQQYFEFBKHOL-UHFFFAOYSA-N	300.274	1.277	50	20	DDGD	
CO[C@](C)(C(=O)NNc1nnc(-c2ccccn2)s1)C1CC1	293202469	IPWGQDZGCREQCR-AWEZNQCLSA-N	319.390	1.858	50	20	DDGD	
O=C(NNc1ncncc1F)N[C@H]1CCCC12CCOCC2	293225351	CLJVMPOWDAUNDA-NSHDSACASA-N	309.345	1.591	50	20	DDGD	
CC[S@](=O)CC(=O)NNc1ccc(Br)cc1	295381591	KODUHWWXCAODIU-INIZCTEOSA-N	305.197	1.661	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNc1nccc2sccc12	806861747	RXYOIIZQAGICQT-UHFFFAOYSA-N	300.343	1.961	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)OCCO[C@@H](C)C#N)cc(C#N)n1C	801821961	ZDZKZLXGOCKFAZ-RZBIUYHXSA-N	312.329	1.584	50	20	DDGD	
COCCN(C)NC(=O)c1cccnc1SC(F)(F)F	293668893	QHCTUYUVFKIDAE-UHFFFAOYSA-N	309.313	1.917	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)cc1	806397098	MGOIGIOOAVQGKE-NSHDSACASA-N	315.295	1.991	50	20	DDGD	
C[S@](=O)c1ccc(CC(=O)NNc2ncccc2F)cc1	804217579	BVRSKNCUODKPQV-NRFANRHFSA-N	307.350	1.644	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN(C)[C@@H](C)C(C)C	297992412	XDKQNMLISPDDPQ-AWEZNQCLSA-N	305.422	1.661	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H]1OC[C@H]2COCC[C@H]21	290429584	GYWLLNISMSOGQD-YRGRVCCFSA-N	319.361	1.199	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)C1(Cc2ccccc2)CC1	802026207	PJDIDOPBHDTPGS-UHFFFAOYSA-N	310.357	1.679	50	20	DDGD	
CCC[C@@H](C)C(=O)NCCNC(=O)NNc1ccc(OC)cn1	292884681	UUYJTJKRFVFKIL-LLVKDONJSA-N	323.397	1.269	50	20	DDGD	
C[C@@H](NC(=O)C1CCCCC1)C(=O)NNc1ncccc1F	804217405	XRBOWSQBTZBMNY-SNVBAGLBSA-N	308.357	1.749	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)c(C)o1	292450700	NUZZUJNXYNDJTF-SECBINFHSA-N	321.308	1.659	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)c2ccc(O)cc2)n1C	814691928	TZZYTQODXBFXEC-UHFFFAOYSA-N	301.302	1.281	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)CC1(C(=O)O)CCC1	814865816	ZXANYFMPUQATLZ-NSHDSACASA-N	300.355	1.175	50	20	DDGD	
Cn1c(NNC(=O)[C@@H]2CCCC23OCCO3)nc2ccccc21	816580555	KGCMZOOIUXCEAF-NSHDSACASA-N	316.361	1.560	50	20	DDGD	
CCc1ccccc1N1C[C@H](C(=O)NN(C)C2CC2)CC1=O	819641561	YEMJDBDJJACXJU-CYBMUJFWSA-N	301.390	1.727	50	20	DDGD	
CC(=NNC(=O)CSc1ccccc1O)c1csnn1	814969133	JONHGSHPCXYUAB-UHFFFAOYSA-N	308.388	1.876	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NCCC(C)(C)C(=O)O	818624715	TWHGPWYHKMJKNW-UHFFFAOYSA-N	321.377	1.369	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=C(C)C[C@H]1CCC(=O)N1	811631722	KPEZBSDHHNGRMT-CQSZACIVSA-N	317.389	1.789	50	20	DDGD	
Cn1nc(Br)cc1C=NNC(=O)N=c1cc[nH]cc1	815002302	UHFVTRUSVCRCAH-UHFFFAOYSA-N	323.154	1.155	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2ccccc2C)n1C	814767937	AUSNOROXQCFIMP-UHFFFAOYSA-N	315.329	1.195	50	20	DDGD	
Cn1nc(NC(=O)NNC(=O)c2cccc(C#N)c2)cc1C1CC1	810278369	FBKYLXSUJOYHAP-UHFFFAOYSA-N	324.344	1.636	50	20	DDGD	
COCC1(C(=O)NN=c2cc[nH]c3ccccc23)CCOCC1	810362332	ZZSXRPDMPDPOEM-UHFFFAOYSA-N	315.373	1.543	50	20	DDGD	
Cc1ccc(-n2cnnc2SCC(=O)NN(C)C2CC2)cc1	819645682	QVGFOGVMRVJYFZ-UHFFFAOYSA-N	317.418	1.793	50	20	DDGD	
Cc1ccc(O)cc1C(=O)NNc1nc(-c2ccncc2)no1	816914999	KRSADWFIUZSTDK-UHFFFAOYSA-N	311.301	1.903	50	20	DDGD	
CC(C)(CC(=O)OCC(=O)NNC(=O)c1ccccc1)C1CC1	815469244	CVZYFFANXUIKGA-UHFFFAOYSA-N	318.373	1.817	50	20	DDGD	
COc1ccc(C=NNC(=O)Cc2cc[nH]n2)cc1OC(F)F	814955468	IHGJICUNSUEUHM-UHFFFAOYSA-N	324.287	1.713	50	20	DDGD	
Cc1ccc([C@@H](CNC(=O)NNC(=O)C(C)C)N2CCCC2)o1	725871184	DIPFBXAVVAGBHP-CYBMUJFWSA-N	322.409	1.711	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccc(C(=O)O)cc2)nc1	818914219	IUWPVMLWDHLXKE-UHFFFAOYSA-N	300.318	1.915	50	20	DDGD	
CO[C@@H](C)[C@@H](C)NC(=O)NNC(=O)c1cc2c(s1)CCC2	811959546	QQRPJURWLSSOKK-BDAKNGLRSA-N	311.407	1.604	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=C[C@H]1CCCOC1	814766270	GTHHLSSLVQJENU-GBJTYRQASA-N	311.426	1.260	50	20	DDGD	
O=C(COc1cccnc1)NNC(=O)c1cccc(Cl)c1	728064148	CKDIGUZPQFDGMT-UHFFFAOYSA-N	305.721	1.575	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)COc2ccc(F)cc2)C1	819805517	XPBFDNITLOHJMW-UHFFFAOYSA-N	308.309	1.650	50	20	DDGD	
CNC(=O)CCCC(=O)NNc1cc(Cl)nc(Cl)c1	819746598	BVFBDDFZBVJCMG-UHFFFAOYSA-N	305.165	1.748	50	20	DDGD	
COC(=O)C[C@@H]1CCCCN1C(=O)/C(C#N)=C\c1cnn(C)c1	822726100	MNGYGMUYNRYHBD-LVOZBFFPSA-N	316.361	1.271	50	20	DDGD	
C[C@]1(CC(=O)NNC(=O)N2CCOCC2)CC1(Cl)Cl	822854426	MOKBOKUCMWHUCZ-JTQLQIEISA-N	310.181	1.033	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@@H]2CCO[C@@H](C)C2)cc(C#N)n1C	490813333	OWEGVYMBCREXNQ-FXKDLWHLSA-N	312.373	1.796	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1	823939316	IYVGYUDSJMNCQZ-PELKAZGASA-N	321.204	1.761	50	20	DDGD	
CC(C)COC[C@@H](NC(=O)NNC(=O)C(C)C)c1ccco1	725868628	XYMPJVBMUQAKSG-GFCCVEGCSA-N	311.382	1.980	50	20	DDGD	
COC(=O)[C@H](CO)NC(=O)CCCC[C@H]1CCSS1	725906633	WTMHKSFJFONKNW-UWVGGRQHSA-N	307.437	1.351	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@@H](C)N(C(=O)OC(C)(C)C)C1CC1	823917021	CYUXSYMEMCUPCS-GHMZBOCLSA-N	315.414	1.118	50	20	DDGD	
COC(OC)C(=O)NNC(=S)Nc1ccccc1C(C)C	822560802	OWEBORSFTRLBRC-UHFFFAOYSA-N	311.407	1.747	50	20	DDGD	
CC1=NO[C@@](C)(C(=O)NNC(=O)c2nc3ccccc3s2)C1	906125865	UJWAMGREQUAKKI-CQSZACIVSA-N	318.358	1.612	50	20	DDGD	
C[C@H](OCCc1ccccc1)C(=O)NNC(=O)CC(F)(F)F	825505558	LOCCZMKWKDYKGE-JTQLQIEISA-N	318.295	1.734	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccccc1Oc1cccnc1	823965545	ORNRMNGRQQKHSL-LBPRGKRZSA-N	301.346	1.831	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cc(C(F)(F)F)cnc1O	823203886	ZZGXQFYNZRSONB-UHFFFAOYSA-N	303.240	1.367	50	20	DDGD	
COc1ccc(NNC(=O)/C=C\c2ccc(OC)c(O)c2)nc1	492665558	BYKILIUHKGAQKV-YWEYNIOJSA-N	315.329	1.961	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)/C=C/OCC)cc1OC	492796086	GOEYXXWBCLZVAW-CSKARUKUSA-N	322.361	1.795	50	20	DDGD	
CC(C)(CCNC(=O)c1ccc(B(O)O)c(F)c1)C(F)(F)F	584986708	LDADTDKQMUCYIT-UHFFFAOYSA-N	321.079	1.214	50	20	DDGD	
CC[C@@H](O)[C@H](C)C(=O)NNC(=O)NCc1ccc(Cl)cc1	907644873	YFWQWTSGDBKXDH-JOYOIKCWSA-N	313.785	1.577	50	20	DDGD	
CC(C)[C@@H](C(=O)NN(C)C(=O)OC(C)(C)C)N1CCCC1=O	496282928	KENXYWNPBVKFID-LBPRGKRZSA-N	313.398	1.532	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cn1	496931934	VIBRMNFGUYXZKZ-UHFFFAOYSA-N	324.381	1.652	50	20	DDGD	
COCCN(C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCC1	496789795	HGPYFLIEIAYCKQ-LBPRGKRZSA-N	315.414	1.289	50	20	DDGD	
C[C@H](c1ccccc1)c1cc(C(=O)N2CC[C@H](B(O)O)C2)n[nH]1	585066032	IKOGGDGVTMSXEN-YPMHNXCESA-N	313.166	1.250	50	20	DDGD	
C[C@H]1Sc2ccc(C(=O)NNc3cnccn3)cc2NC1=O	734245499	IXONYCINKQVOBF-MRVPVSSYSA-N	315.358	1.666	50	20	DDGD	
O=C(NNc1ncccc1Cl)c1cc2c(cc1O)OCO2	734247633	UHFYMCCKZBSHAX-UHFFFAOYSA-N	307.693	1.926	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1nnc(C2CC2)s1	836205335	HOVNWMIKBRKLJT-QMMMGPOBSA-N	311.367	1.137	50	20	DDGD	
Cc1cc(CNC(=O)NN=c2sc3ccccc3n2C)n[nH]1	738483494	WWXXLUKRVPMPFL-UHFFFAOYSA-N	316.390	1.586	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCN2C(=O)CC[C@H]2C1	490881010	WOQLRNINVHPSCG-CTXBLAANSA-N	313.332	1.566	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NC[C@H]1CC[C@@H](C)O1	838741996	DPODGKKONIDKGC-TZMCWYRMSA-N	305.378	1.435	50	20	DDGD	
CCCC[C@H](NCc1ccc(B(O)O)o1)c1ccc(OC)cc1	585019834	IFEVJAHNOWJXMT-INIZCTEOSA-N	317.194	1.989	50	20	DDGD	
C[C@@H](Cc1ccsc1)NC(=O)NNC(=O)c1cnn(C)c1	735509655	FGRURPFCXMZNTO-VIFPVBQESA-N	307.379	1.057	50	20	DDGD	
COc1ccc(C(=O)O)cc1C=NNC(=O)[C@H]1CCO[C@H]1C	901259842	TVCKCVTZWXCSDU-CABZTGNLSA-N	306.318	1.269	50	20	DDGD	
COC(=O)[C@H](NNC(=O)C1CCOCC1)c1ccccc1F	905816900	UYMKEEXUPFTYOS-CYBMUJFWSA-N	310.325	1.087	50	20	DDGD	
C#CCCCC(=O)NN[C@@H](Cc1ccc(Cl)cc1)C(=O)OC	901644718	UPBUTQCONFURHK-AWEZNQCLSA-N	322.792	1.848	50	20	DDGD	
O=C(NCCCCCc1ccccc1)c1cccc(B(O)O)c1	584940265	SIXRGHOFLXHAPV-UHFFFAOYSA-N	311.190	1.509	50	20	DDGD	
CCn1ccnc1C(C)=NNC(=O)COc1ccccc1OC	834922120	BFMUYUUTWIYFBT-UHFFFAOYSA-N	316.361	1.831	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)NC(=O)NNc1cccc(Cl)n1	836631979	HGYNYKODARAKIQ-SECBINFHSA-N	308.773	1.726	50	20	DDGD	
C[C@@]1(C(=O)NNc2nc3ccccn3n2)C[C@@H]1Br	907697292	JUGCQARUNTVOAF-WRWORJQWSA-N	310.155	1.346	50	20	DDGD	
Cc1ccc(C)c(C2=NO[C@@H](C(=O)NNC(=O)N(C)C)C2)c1	900427411	KAFDFESDNZBHAI-CYBMUJFWSA-N	304.350	1.099	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)cc1	908274381	PPYKWPPWYGUJHM-VBNZEHGJSA-N	316.357	1.000	50	20	DDGD	
CO[C@@H]1COCC[C@@H]1CNC(=O)NNc1cccc(F)c1F	838659020	MXNKMCYTQQRMJY-BXKDBHETSA-N	315.320	1.642	50	20	DDGD	
O=C(NN=C1CCN(Cc2ccccc2)C1=O)[C@@H]1CCCCO1	834989030	OSFBJEYECZLVQB-HNNXBMFYSA-N	315.373	1.460	50	20	DDGD	
CN(C)C(=O)C1CCC(C(=O)NNc2cccc(C#N)c2)CC1	830766458	HZCFCKXQAIFVND-UHFFFAOYSA-N	314.389	1.896	50	20	DDGD	
CS(=O)(=O)c1ccc(C(=O)NNc2c(F)cccc2F)o1	735695923	LWSGSNKCYIIKPB-UHFFFAOYSA-N	316.285	1.718	50	20	DDGD	
CSCCc1ccc(NCc2cccc(B(O)O)c2)cc1	585012758	FSDKLUQPOGVCJD-UHFFFAOYSA-N	301.220	1.884	50	20	DDGD	
CCOCCNC(=O)NNc1cccc(Br)n1	837454172	FDZIMHPALZSURZ-UHFFFAOYSA-N	303.160	1.507	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CN2CCCCC2=O)c1F	837058699	XBNBEOBDEVOFSW-UHFFFAOYSA-N	323.324	1.068	50	20	DDGD	
CCOc1ccc(NNC(=O)NCc2nnnn2C2CC2)cc1	838500435	VWXCXBUHYJXKIN-UHFFFAOYSA-N	317.353	1.233	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])[C@@H]1CCc2ncncc2C1	844135345	PQEBHWPATXABEC-SECBINFHSA-N	314.305	1.028	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Cc1nc(C2CC2)nn1C	843754780	PYLLHYOHERXKMZ-UHFFFAOYSA-N	313.361	1.005	50	20	DDGD	
C[C@H]1CCCN(C(=O)C(=O)NNc2nc3ccccc3n2C)C1	848380433	GCMLVTALGUEZIT-NSHDSACASA-N	315.377	1.275	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=C1CC(NC(=O)OC(C)(C)C)C1	842548844	CTXRFFWTJPSSFS-UPCOPKIUSA-N	311.382	1.571	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)COc1ccccc1C#N	916324370	ZQCWCFUTPXCRSD-UHFFFAOYSA-N	311.345	1.438	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1ccc(Br)cn1	842555924	RPEOPMWIPYRNTR-KWQFWETISA-N	312.167	1.719	50	20	DDGD	
CCCC[C@H](CN)NC(=O)NNC(=O)c1ccccc1OC	841958931	NFDKIKRHTXBFOL-LLVKDONJSA-N	308.382	1.157	50	20	DDGD	
CCn1nc(C)c(S(=O)(=O)NCCCSC#N)c1C	916978533	BUOXBKLLQQAGQH-UHFFFAOYSA-N	302.425	1.403	50	20	DDGD	
CC(=NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(C)C	916305710	PKRNRUIELYWRBT-UHFFFAOYSA-N	311.407	1.699	50	20	DDGD	
CC(=NNC(=O)c1ccccn1)c1ccc(O)c([N+](=O)[O-])c1	749603716	LUFJVKDRKNXVHL-UHFFFAOYSA-N	300.274	1.849	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CCc2ncccn2)cc1	846375535	DUVAUWAEIJWHSN-UHFFFAOYSA-N	314.345	1.268	50	20	DDGD	
Cc1ccc(Cc2nc(C(=O)NN(C)C[C@@H](C)O)cs2)cc1	910156668	VTJASVSMANNYSF-GFCCVEGCSA-N	319.430	2.000	50	20	DDGD	
CCONC(=O)CNC(=O)NNc1c(C)cccc1Cl	845531355	ZLZOWISCIBUXAI-UHFFFAOYSA-N	300.746	1.342	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCOc1ccc(F)cc1	843646671	WRVMBBVBPOLNJZ-MFKMUULPSA-N	310.325	1.167	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1cccnc1)c1cccc(C#N)c1	743588949	MCUQAUDRKFDWBD-LBPRGKRZSA-N	323.356	1.587	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2cccc(F)c2)no1)c1ccc[nH]1	915636231	JDABLJGVKQATEU-UHFFFAOYSA-N	314.276	1.884	50	20	DDGD	
COc1ccccc1-c1nn(C)cc1C(=O)NNC(=O)N(C)C	740820141	SUURGGMEZZSMGB-UHFFFAOYSA-N	317.349	1.012	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H](C)C(F)(F)F)cc1OC	742471761	HQYCDICVKNTIQJ-ZETCQYMHSA-N	320.267	1.663	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(OCc2cccnc2)cc1	746006180	VGXGLQHSKKBCQW-UHFFFAOYSA-N	314.345	1.577	50	20	DDGD	
O=C(COC[C@H]1CCCO1)NNc1ncccc1C(F)(F)F	740091809	VSBXAXWSBLJSKG-SECBINFHSA-N	319.283	1.739	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)[C@H]1CCCS1(=O)=O	847601376	QMZALFQRPIQDRI-SNVBAGLBSA-N	308.281	1.124	50	20	DDGD	
N#Cc1ccc(NNC(=O)CN2C(=O)COc3ccccc32)cc1	748116696	DBCWQMQMOYXDMQ-UHFFFAOYSA-N	322.324	1.427	50	20	DDGD	
C[C@@H](C#N)C(=O)NNC(=O)NCc1cccc(C(F)(F)F)c1	746173264	SDDFTCKYMWZPSE-QMMMGPOBSA-N	314.267	1.695	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CO[C@H]2CCC[C@@H](C)C2)n1	746623120	DLGLIZYNNYDEJH-PWSUYJOCSA-N	308.382	1.832	50	20	DDGD	
COc1ccc(CC(C)=NNC(=O)N2CCOCC2)cc1OC	745590829	HVGNRRCYOSNCOD-UHFFFAOYSA-N	321.377	1.664	50	20	DDGD	
CC(C)C(=O)NNC(=O)/C=C\c1ccc(OCCN(C)C)cc1	929287559	JIVQASYLUINORO-YFHOEESVSA-N	319.405	1.444	50	20	DDGD	
C[C@@]1(CNC(=O)c2cnc3[nH]cnc3c2)C[C@@H]1Br	857395880	VLUSRWZFWAKHED-CABZTGNLSA-N	309.167	1.861	50	20	DDGD	
C[C@@H]1CC/C(=C\C(=O)NNC(=O)COc2ccccc2O)C1	753609054	RZYVKJKGRZFQRZ-LWMMSDEHSA-N	304.346	1.665	50	20	DDGD	
N#CCc1ccc(C(=O)NNC(=O)COCc2ccccc2)cc1	759142647	MIAVPNUKCXUDMC-UHFFFAOYSA-N	323.352	1.730	50	20	DDGD	
CC(C)Oc1ccccc1NC(=O)NNC(=O)c1cnccn1	755865035	DUFQKENCMZUVKK-UHFFFAOYSA-N	315.333	1.730	50	20	DDGD	
Cc1noc([C@H](C)NC(=O)NC[C@]2(C)C[C@H]2Br)n1	856838463	CFOZPDYHWWAIOT-QXHCQDJKSA-N	317.187	1.912	50	20	DDGD	
CCCc1c(C(=O)NNC(C)=O)cnn1-c1cccc(F)c1	753381483	USNLXZCPDGETPY-UHFFFAOYSA-N	304.325	1.745	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)Cn2nc(C)cc2C)sn1	756856005	ITNCCWYADAGIJX-UHFFFAOYSA-N	308.367	1.118	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)N[C@H]2COC[C@H]2C)c1	925991788	PNTWQRPUVGTJHE-OLZOCXBDSA-N	321.377	1.048	50	20	DDGD	
COc1ccc(C[C@@H](C)CNC(=O)NNC(=O)C(C)C)cc1	758965946	WEJDNAZZHHIQBA-GFCCVEGCSA-N	307.394	1.860	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1[nH]c(-c2cccc(C)c2)nc1C	854922495	AKBBLXZWCMSABL-UHFFFAOYSA-N	317.418	1.774	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)Cc2ccccc2F)C1(C)C	753424252	ANQPUTJNLZOUMF-STQMWFEESA-N	323.368	1.512	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ccnc(Cl)c2)CCCC1	855468974	OHSPRTRWFARPBE-UHFFFAOYSA-N	317.798	1.536	50	20	DDGD	
CCOC1CCC(=NNC(=O)[C@H](C)CN2CCOCC2)CC1	853279110	MXWBBZMXETUVBP-AFYYWNPRSA-N	311.426	1.406	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCCCC2)c1ncc[nH]1	854249322	CETJHCKHDYBHQQ-UHFFFAOYSA-N	304.375	1.815	50	20	DDGD	
C[C@@]1(CNC(=O)CCn2ccccc2=O)C[C@H]1Br	857397698	IPMPGGYGJJQCBH-MFKMUULPSA-N	313.195	1.528	50	20	DDGD	
COc1cc(C(=O)NNC(=O)OCC(F)(F)F)ccc1F	856021463	GKZULTHZTCTDJZ-UHFFFAOYSA-N	310.203	1.768	50	20	DDGD	
CCc1cccc(C(=O)NNC(=O)CCOc2ccccc2)n1	857442923	AMWQSQHUBZNIAS-UHFFFAOYSA-N	313.357	1.874	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)C(=O)N2CCCC2)c(C)c1	853297633	FEQRUDHIWFZYJD-UHFFFAOYSA-N	317.389	1.856	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc2oc(C(=O)OC)cc2c1	755912160	BRNPMIBHCFMIQM-UHFFFAOYSA-N	321.289	1.019	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@@H]2COC[C@@H]2C)cc1	926021660	ATHXHNUTXRKPIV-GXFFZTMASA-N	307.350	1.063	50	20	DDGD	
CCC(O)(CC)C(C)(C)CNC(=O)NNc1ccc(C)nn1	852476065	MQMCCGDSAGLXIV-UHFFFAOYSA-N	309.414	1.988	50	20	DDGD	
CC(C)c1ccsc1C(=O)NNC(=O)CN1CCCC1=O	920433386	SGJABIFQRPGPRZ-UHFFFAOYSA-N	309.391	1.255	50	20	DDGD	
CC[S@](C)(=O)=NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	925851848	STHJBKPCMWJWOZ-BOQJPMNSSA-N	304.375	1.756	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(N2CCSCC2)cc1	756730372	OSRIUTIZFVYFLK-UHFFFAOYSA-N	324.406	1.039	50	20	DDGD	
CCn1cnc(C(=O)NNC(=O)c2cccc(N(C)C)c2)c1	854263751	NAWNZVMCIDRYLX-UHFFFAOYSA-N	301.350	1.044	50	20	DDGD	
CCOC(=O)NC1CCC(=NNC(=O)[C@@H]2CCO[C@H]2C)CC1	853368511	LLEOWECKQIHSGX-CCQDYZPNSA-N	311.382	1.572	50	20	DDGD	
C[C@@]1(CNC(=O)c2noc3c2COCC3)C[C@H]1Br	857868956	GWJNTVTYRNCREF-SKDRFNHKSA-N	315.167	1.651	50	20	DDGD	
CCOC(=O)COCCNC(=O)NNc1cc(F)ccc1C	854106529	YHVQLUBWUMQKAV-UHFFFAOYSA-N	313.329	1.340	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H](C)S(C)(=O)=O)cc1F	853900883	JWUNTBHJCMTCIG-VIFPVBQESA-N	303.359	1.193	50	20	DDGD	
N#Cc1c[nH]c(C(=O)NNC(=S)NCCc2cccs2)c1	753014384	HXKVGJBXTQQHIZ-UHFFFAOYSA-N	319.415	1.299	50	20	DDGD	
O=C(NC[C@@H]1CSCCS1)NNc1ncc(Cl)cn1	856877426	RCGSAUPTBBEVTG-MRVPVSSYSA-N	319.843	1.605	50	20	DDGD	
C[C@H]1C[C@H]1c1ccc(CNC(=O)NNC(=O)c2cn[nH]c2)o1	858148009	IEJVZVRQODVFSP-GZMMTYOYSA-N	303.322	1.270	50	20	DDGD	
CN(C)C(=O)c1cc(=NC[C@@]2(C)C[C@@H]2Br)cc[nH]1	856785289	IIHNISOQRMLMQX-WCQYABFASA-N	312.211	1.791	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc([N+](=O)[O-])o2)nc1	759737489	CEKCUOBQQCGOHH-UHFFFAOYSA-N	306.234	1.126	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1cccnc1OC(C)C	755947217	AKFQCHVFMLTNJI-UHFFFAOYSA-N	318.337	1.367	50	20	DDGD	
C[C@]1(CNC(=O)NOC[C@@H]2CCOC2)C[C@H]1Br	856851365	FEURTQHRBBPGKZ-FXPVBKGRSA-N	307.188	1.427	50	20	DDGD	
CC(C)CN(C)S(=O)(=O)NC[C@]1(C)C[C@H]1Br	856755045	RLCNDSHIPNKNED-ZJUUUORDSA-N	313.261	1.582	50	20	DDGD	
CCn1[nH]c(C)nc1=NC(=O)NNc1ccc(Cl)cc1F	931756740	KGMKBTRRHXOYIL-UHFFFAOYSA-N	312.736	1.969	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cnn2ccccc12)C1CC1	855101127	QCWHBMWYHGWEID-SECBINFHSA-N	303.391	1.242	50	20	DDGD	
C[C@@]1(CNC(=O)N[C@@H]2CCCC[C@H]2O)C[C@@H]1Br	856951948	HTKZYAJZDPKPBT-SVDPJWKOSA-N	305.216	1.763	50	20	DDGD	
CN(NC(=O)c1ncoc1-c1ccon1)C(=O)OC(C)(C)C	854919298	BLJJBIFMEVZTNE-UHFFFAOYSA-N	308.294	1.841	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)c2cc(OC)cc(OC)c2)CC1	752027873	AJCUEBHANIBIOV-UHFFFAOYSA-N	321.377	1.838	50	20	DDGD	
C#CC(=O)NNC(=O)c1cc(OCC)c(OCC)c(OCC)c1	753887416	IZLCSLYLCQZWAT-UHFFFAOYSA-N	320.345	1.277	50	20	DDGD	
O=C(C[C@H]1CC(=O)NC1=O)NNc1ccc(Cl)cc1Cl	935016396	GFSXLMCQEMAJNK-ZCFIWIBFSA-N	316.144	1.489	50	20	DDGD	
CCOC(=O)c1nc(N2CC[C@@H](B(O)O)C2)cc(C(C)(C)C)n1	864232823	DMZCFXGNRILXDW-SNVBAGLBSA-N	321.186	1.004	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CC(F)(F)F)nc1Cl	768710003	MFFWOIOBYLNPOQ-UHFFFAOYSA-N	311.647	1.457	50	20	DDGD	
C[C@@H](c1ccccc1F)[C@@H](O)C(=O)NNC(=O)C1CCCC1	864845474	VYZBYCWISBNYAR-IINYFYTJSA-N	308.353	1.628	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2C[C@H]3CCC[C@H]2C3)c1	934377404	HJCGFWIHYVMURM-ZFWWWQNUSA-N	301.390	1.630	50	20	DDGD	
O=C(OCCn1cncn1)[C@@]12CC[C@@H](C[C@@H]1Br)C2	869462285	QIQFZORBKRWBII-JBLDHEPKSA-N	314.183	1.775	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H]2C[C@@H]2c2sccc2C)n[nH]1	869014815	KYJKAFBIVURNFI-NWDGAFQWSA-N	318.402	1.582	50	20	DDGD	
COc1cc(CC(=O)NNc2cccc(C)n2)cc(OC)c1O	862521263	VQCFJVMQWVSCQQ-UHFFFAOYSA-N	317.345	1.799	50	20	DDGD	
COc1cccc(C(C)(C)C(=O)NNC(=O)NCC2CC2)c1	865016117	WPKBMNUKCSPDMF-UHFFFAOYSA-N	305.378	1.713	50	20	DDGD	
CC(=NNC(=O)Cn1nnc(-c2ccccc2)n1)C(F)(F)F	761746479	VQQMIVOQRZDKQD-UHFFFAOYSA-N	312.255	1.395	50	20	DDGD	
O=C(NNc1cccc(Br)n1)C1(F)CCOCC1	868820779	ZQIQMALFVRBDOQ-UHFFFAOYSA-N	318.146	1.806	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccc3ccccc3c2)on1	763950225	VDWQCRXIZZOWLP-UHFFFAOYSA-N	311.297	1.911	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCC(=O)N1)c1cc([N+](=O)[O-])ccc1C	863148603	FXUNVYDYZQMFRD-GFCCVEGCSA-N	304.306	1.022	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1c(C(F)F)nc2n1CCCC2	868860552	CJJVTKAEJHBWLR-UHFFFAOYSA-N	317.365	1.238	50	20	DDGD	
COc1cc(C=NNC(=O)C(C)(C)O)cc(C(F)(F)F)c1	863107554	UYKXEVDUFRYKJU-UHFFFAOYSA-N	304.268	1.935	50	20	DDGD	
CC(C)n1ncc2ccc(NCc3ccc(B(O)O)cc3)cc21	864029124	ZSMQYTXBTZRQMX-UHFFFAOYSA-N	309.178	1.909	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NN=C2CCS(=O)CC2)c1	761800972	ILPIOTZTFQZOCX-UHFFFAOYSA-N	308.403	1.697	50	20	DDGD	
CCc1nnc(O)c(C(=O)NNc2nccnc2Cl)c1CC	771014508	ANBBMLYFXVBEDU-UHFFFAOYSA-N	322.756	1.507	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)cc[nH]1	875304723	DOODMIVFWWIDGR-QWHCGFSZSA-N	319.409	1.228	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2cc3occc3[nH]2)c1	776525230	FENGIBJKNBFFLA-UHFFFAOYSA-N	319.342	1.921	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1nc(-c2ccccc2)cs1	779816139	HLBHQSADGRWCLU-UHFFFAOYSA-N	318.358	1.616	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(Cl)nc2)ccc1O	779498940	GZRUUQRFXWXYGK-UHFFFAOYSA-N	305.721	1.824	50	20	DDGD	
COCc1nocc1C(=O)NNC(=O)Cc1ccccc1C	1117669054	CSULFUWWUCTVTE-UHFFFAOYSA-N	303.318	1.133	50	20	DDGD	
CC(C)OCCC(=O)NNC(=O)c1nc2ccccc2s1	874913177	GZXJSZQGNQLOJF-UHFFFAOYSA-N	307.375	1.872	50	20	DDGD	
COC(=O)[C@H](NNC(=O)c1nc2ccccc2s1)C1CC1	871939059	LFYYWXRTMAOQSI-LLVKDONJSA-N	305.359	1.482	50	20	DDGD	
O=C(NNC(=O)c1cccc2ncccc12)c1c(O)cccc1O	770407978	AWTZNMCAQQDZNZ-UHFFFAOYSA-N	323.308	1.721	50	20	DDGD	
Cc1cc(=NNC(=O)NCc2ccc([C@H](C)O)cc2)cc[nH]1	875190625	RICZLOMLKNDQCF-LBPRGKRZSA-N	300.362	1.692	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CCc2ccccc2C(=O)O)n1	777358508	XACNZALSGBDTCE-UHFFFAOYSA-N	314.345	1.868	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)CCCCN1CCCCC1	880517908	YYDOHLYOHMQHHN-AWEZNQCLSA-N	312.458	1.130	50	20	DDGD	
CC(C)CCn1cc(C(=O)NNc2nccnc2C(C)C)nn1	772892290	KHKHFNJLKPFEPC-UHFFFAOYSA-N	317.397	1.995	50	20	DDGD	
Cc1cc(C(=O)NNc2nc(-c3cccnc3)no2)ccc1O	779514421	LQVVZDLDMUNSQX-UHFFFAOYSA-N	311.301	1.903	50	20	DDGD	
CS[C@H]1CCC[C@@H](NC(=O)NNC(=O)C2CCOCC2)C1	883425393	SSNQTVSPIYGOTP-NEPJUHHUSA-N	315.439	1.418	50	20	DDGD	
COCCCOCC(=O)NNC(=O)c1ccc2ccccc2c1	775662246	CJAZSBGCGLVINQ-UHFFFAOYSA-N	316.357	1.654	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)C2CCOCC2)cc1Cl	883068082	HJUBNWMMMILRBP-UHFFFAOYSA-N	307.737	1.399	50	20	DDGD	
C[C@]1(COC(=O)COC[C@H]2CCCO2)C[C@H]1Br	1123040522	SYWDOOWYTBHBGD-CKYFFXLPSA-N	307.184	1.899	50	20	DDGD	
O=C(/C=C/CN1CCOCC1)NNc1c(F)cc(F)cc1F	885153307	FLXFQFXSSQTSKY-OWOJBTEDSA-N	315.295	1.435	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=C1CCCOCC1	770595606	GFVQOAIOBYJBSZ-BFHYXJOUSA-N	311.426	1.404	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccncc2C)c1	770211481	FBVZJLKNUAOHJB-UHFFFAOYSA-N	313.357	1.847	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)NC[C@H]1C=CCC1	883416472	VTDSACDTLANLDK-NSHDSACASA-N	307.325	1.501	50	20	DDGD	
Cn1cc(C=NNC(=O)C(=O)NC2CC2)c(C2CCCCC2)n1	783817178	XOJDKEREAHCTPM-UHFFFAOYSA-N	317.393	1.197	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)/C=C\c1ccc[nH]1	782333325	UMSSYCGFGIPUBF-ZADCQDASSA-N	307.350	1.153	50	20	DDGD	
CNC(=S)NNC(=O)CCCCCNC(=O)OC(C)(C)C	781023247	VCSTZGNZSZOGQQ-UHFFFAOYSA-N	318.443	1.197	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@@H]2CCCCN21)c1ccccc1F	899937054	MQHVWPKATUVOMS-FZMZJTMJSA-N	305.353	1.604	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNC(=S)NC(C)(C)C	899996895	XSQZDCOPYSGJBR-MRVPVSSYSA-N	311.455	1.814	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@H]1CCCN(Cc2cccnc2)C1	780759238	FJEXBSYMDJXBHT-HNNXBMFYSA-N	311.389	1.254	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCc2ccc(F)cn2)n1	793106319	OTXNYMDLNGMNLT-UHFFFAOYSA-N	303.297	1.068	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)C1CCC(O)CC1	792018347	WBIXXYJSIBBTJZ-UHFFFAOYSA-N	320.433	1.901	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2cccc(CO)c2)c1	798275398	MBUJJAUULAGRTN-UHFFFAOYSA-N	313.357	1.320	50	20	DDGD	
CNC(=O)c1cc2cc(NC(=O)NNC(=O)C(C)C)ccc2[nH]1	791919014	SSSPIDVRJALKFW-UHFFFAOYSA-N	317.349	1.336	50	20	DDGD	
C=C(CBr)COC(=O)[C@H](CC)N1CCCC1=O	795536681	YEJWOWCHEIZOAN-JTQLQIEISA-N	304.184	1.882	50	20	DDGD	
C=C(CBr)COC(=O)c1ccc(C(=O)NC)nc1	795490232	CLFJKQZEQBAIGI-UHFFFAOYSA-N	313.151	1.549	50	20	DDGD	
CC(C)CNC(=O)CNC(=O)NNc1ccc(C(C)(C)C)nn1	1318639626	QFMGMFSQBDNVMO-UHFFFAOYSA-N	322.413	1.172	50	20	DDGD	
N#CCc1ccc(S(=O)(=O)NNC(=O)NC2CCCC2)cc1	1318909687	OCMKOAXXENKVPJ-UHFFFAOYSA-N	322.390	1.188	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cccn1Cc1ccncc1	1318137155	YAFQNRKITKFKHZ-UHFFFAOYSA-N	317.418	1.449	50	20	DDGD	
C=CCN(CC=C)C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1328614594	NFRLVIRMWQPOBC-GXFFZTMASA-N	315.211	1.477	50	20	DDGD	
NC(=O)c1cnc(C(=O)NNc2ncccc2F)c(Cl)c1	1326169792	ZRTJUGOOPRWTEX-UHFFFAOYSA-N	309.688	1.125	50	20	DDGD	
CCOCc1ccc(NC(=O)NNC(=O)Cc2cc[nH]n2)cc1	1320252354	DOVMOZBCFVIFAI-UHFFFAOYSA-N	317.349	1.342	50	20	DDGD	
CC(=NNC(=O)CCN1CCC(C)CC1)C(C)(C)n1cncn1	1321539949	GWDKIHMGZNUTFT-UHFFFAOYSA-N	320.441	1.627	50	20	DDGD	
COc1cccc2cc(C(=O)NNC(=S)NC(C)C)oc12	1248636418	XQUHEFIZCXFARZ-UHFFFAOYSA-N	307.375	1.959	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)C1(C(C)(F)F)CC1	1329250539	XNVAVMXBAMGDQJ-UHFFFAOYSA-N	321.324	1.094	50	20	DDGD	
O=C(Cn1cc(C2CC2)nn1)NNc1cccc(F)c1[N+](=O)[O-]	1321451278	GGJZEIGYKOJRGK-UHFFFAOYSA-N	320.284	1.346	50	20	DDGD	
Cc1cc(NNC(=O)c2sc(N(C)C)nc2C)nc(C)n1	1337382438	WOEKRPAMKBWHKD-UHFFFAOYSA-N	306.395	1.681	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CCc3nnc(O)n3C2)ccc1Cl	1337426611	WSERUPKIUBNWCM-VIFPVBQESA-N	321.768	1.651	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cnc(C(C)C)[nH]2)nc1	1253738177	IMHBIWISPQGJHZ-UHFFFAOYSA-N	303.322	1.472	50	20	DDGD	
Cc1ccc(C(=O)NCC(=O)NN[C@H](C)C(F)(F)F)s1	1331789773	FYNSMIOEGNKAAI-SSDOTTSWSA-N	309.313	1.358	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)NCC2=CCCC2)C[C@H]1Br	1331084659	JZQFYFCWFFYVJL-ZWNOBZJWSA-N	315.211	1.503	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@]2(C)CCOC2)c2ccccc2n1	1344549662	LKMQQUHEJMONPT-QGZVFWFLSA-N	313.357	1.731	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(OC)c(C)c1	1263819753	ANLLJHDVLXJFFJ-UHFFFAOYSA-N	324.377	1.554	50	20	DDGD	
CN(C)c1cnc(C(=O)OC[C@]2(C)C[C@H]2Br)cn1	1348963105	YVKYNZXZLRRBRV-SKDRFNHKSA-N	314.183	1.873	50	20	DDGD	
CC[C@](C)(O)C(=O)NNC(=O)c1ccc(Br)cc1	1354373283	OQWONRVMBQHPBR-LBPRGKRZSA-N	315.167	1.371	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CCc2nccn2C)cc1	1528400845	KTXZBMLBXGLSJP-UHFFFAOYSA-N	317.349	1.214	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)c2ccncc2)cccc1C(=O)O	1600044692	URLNZSJCSLMVOS-UHFFFAOYSA-N	314.301	1.555	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@H](C(=O)O)C1CCCC1	1602871939	WIWSANAZLNGALW-SECBINFHSA-N	301.412	1.171	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2c[nH]nc2[C@@H]2CCCO2)nc1	1602384381	KKVNRCBKXJIHES-JTQLQIEISA-N	317.305	1.111	50	20	DDGD	
O=C(O)C(=O)NN=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	1601635856	MMQQFKLEJQTDQC-UHFFFAOYSA-N	320.305	1.120	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1	1609690851	WKDATYHBNREUKJ-UHFFFAOYSA-N	309.278	1.100	50	20	DDGD	
Cc1c(NNC(=O)COCc2cccnc2)cccc1C(=O)O	1600052270	GLILBCXLKJDCKS-UHFFFAOYSA-N	315.329	1.748	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1ccccc1C(=O)O	1611344594	XLKNTWVSALGXRH-NSHDSACASA-N	307.306	1.107	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cccn2[C@H](C)C(=O)O)cc1	1610312818	MVXQQWQQLLAGCJ-LLVKDONJSA-N	315.329	1.906	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)cc1C	1549316107	FCRGUUQDQJALAV-GOEBONIOSA-N	317.389	1.317	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1C	1549313312	FDKGLDIEQFJHRZ-HOCLYGCPSA-N	301.390	1.698	50	20	DDGD	
Cn1ccnc1CCC(=O)NNc1c(F)c(F)nc(F)c1F	1548616417	MRNJAGZDHNVXAG-UHFFFAOYSA-N	317.246	1.447	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C[C@H]1CCCO[C@@H]1c1cnn(C)c1	1552450237	UVPOMFACOKXSBM-RISCZKNCSA-N	316.365	1.335	50	20	DDGD	
COCCNCCNC(=O)NNc1ccc(F)cc1Cl	1579047283	LNKSTNAUQIHDBW-UHFFFAOYSA-N	304.753	1.341	50	20	DDGD	
CCOCc1nc(Cl)cc(NNC(=O)c2ccnc(N)c2)n1	1578127544	ZRTRREMRVOIVIB-UHFFFAOYSA-N	322.756	1.401	50	20	DDGD	
Cc1ccc(F)c2[nH]c(C(=O)NNC(=O)C3CCNCC3)cc12	1579705576	CWCBVCCXAYFLHA-UHFFFAOYSA-N	318.352	1.376	50	20	DDGD	
CCCNNC(=O)[C@@H](F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	1577572957	WZCJSFKFULBJRH-MNOVXSKESA-N	303.378	1.612	50	20	DDGD	
CC(C)[C@@H](C(=O)O)C(=O)NNC(=O)c1ccc(Cl)cc1O	1588808780	XHMDMEMMKNODQX-SNVBAGLBSA-N	314.725	1.163	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cccc(F)c1-c1nn[nH]n1	1589184132	OADNEAUOXZPLRP-UHFFFAOYSA-N	322.300	1.175	50	20	DDGD	
C=C(CCC(=O)O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	1588630274	HJQCDAPTFQTQFO-UHFFFAOYSA-N	320.389	1.771	50	20	DDGD	
COc1cc(CC(=O)NNc2ccc(C(=O)O)cn2)ccc1C	1599399585	AJDNYHPQAIOTOX-UHFFFAOYSA-N	315.329	1.783	50	20	DDGD	
COC(=O)c1oc(C(=O)NNc2ncccc2C(=O)O)cc1C	1593897784	LDCAXKKNVUEJEX-UHFFFAOYSA-N	319.273	1.225	50	20	DDGD	
O=C(O)[C@@H](C(=O)NNc1cnnc2ccccc12)C1CCCC1	1594835039	AYDRBNCUBVNZFS-CQSZACIVSA-N	314.345	1.964	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)O)CC=CC1)c1c[nH]c2ccccc12	1594779351	QTKRBFMXICQVID-UHFFFAOYSA-N	313.313	1.350	50	20	DDGD	
COCCN(CC(C)C)NC(=O)C1(C(=O)O)CCCCC1	1594000217	HWVHUJKWTLMKOP-UHFFFAOYSA-N	300.399	1.657	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)O)CC=CC1)c1ccc(Cl)cc1O	1594778901	CJKZLBKJKIZBNL-UHFFFAOYSA-N	324.720	1.228	50	20	DDGD	
Cc1c(C(=O)O)cc(C=NNC(=O)c2ccc(N)cc2)n1C	1599984336	FPRPRYLOLCYANL-UHFFFAOYSA-N	300.318	1.378	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccccc1S[C@@H](C)C(=O)O	1590938377	CXTAOAUPSNGGEQ-VIFPVBQESA-N	310.375	1.669	50	20	DDGD	
COc1cc(C(=O)O)ccc1C=NNC(=O)CC(F)(F)F	1776036554	XTGMFSGHAWGMOZ-UHFFFAOYSA-N	304.224	1.796	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=Cc1cc(C(=O)O)ccc1N(C)C	1776102415	PHOMQVYRHASBJR-GXTWGEPZSA-N	319.361	1.326	50	20	DDGD	
CC(=NNC(=O)c1ncon1)c1cccc(O[C@@H](C)C(=O)O)c1	1776106197	UJMMTAFGDOJOAR-VIFPVBQESA-N	318.289	1.076	50	20	DDGD	
C[C@@H](Oc1ccc(C=NNC(=O)c2ccnnc2)cc1)C(=O)O	1776081651	YMSTZLFLKLSOLY-SNVBAGLBSA-N	314.301	1.092	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2nc3nccc(C)n3n2)cc1	14819842	YAICSDHSGYRNTI-UHFFFAOYSA-N	324.344	1.070	50	20	DDGD	
CC(C)(CC(=O)O)CC(=O)NNC(=O)c1ccc(Cl)cc1	16482364	NZKAINMYVKURKW-UHFFFAOYSA-N	312.753	1.992	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNC(=O)CC1CCCC1	15978479	KPSPCUYWNHEWNQ-UHFFFAOYSA-N	301.346	1.665	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1	161831447	JFKITPFRUZMXLF-UHFFFAOYSA-N	320.393	1.313	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2cc(C)c(C)o2)cn1	158148098	SKZLIKDMWWNAEM-UHFFFAOYSA-N	320.374	1.931	50	20	DDGD	
COCCC1(C(=O)NNC(=O)c2ccccc2O)CCCC1	160928510	WORPFXOLTDRPAI-UHFFFAOYSA-N	306.362	1.750	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNC(=O)[C@@H]2CCCO2)cc1	153359651	VXHUEFXOLCHALC-FZMZJTMJSA-N	306.362	1.200	50	20	DDGD	
C=C(C)CNC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O	156179815	NUSBKWGDIWUGBD-UHFFFAOYSA-N	315.333	1.098	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cccc(F)n1	159008681	BKWAAECHIAQUHX-VIFPVBQESA-N	321.283	1.588	50	20	DDGD	
C[C@@H](O)[C@H]1CCCN1S(=O)(=O)c1ccc(CCl)cc1	917413048	UQARRIYCFMRCKJ-ZWNOBZJWSA-N	303.811	1.959	50	20	DDGD	
O=C1CC[C@@H]2CN(CCI)CC[C@@H]2N1	852497387	VKQUEFMOSKXJSG-BDAKNGLRSA-N	308.163	1.022	50	20	DDGD	
O=C(CNS(=O)(=O)CCCCl)OCc1ccccc1	881739100	GJCYTBDDSVPKLE-UHFFFAOYSA-N	305.783	1.278	50	20	DDGD	
Cc1ccccc1C(=O)NNS(=O)(=O)c1ccccc1F	7404171	VHHKOEYDADRPQW-UHFFFAOYSA-N	308.334	1.757	50	20	DDGD	
CCCCCCN(C)CC(=O)NNC(=O)Cc1cccnc1	111608947	UUAIYIWUIDLNKL-UHFFFAOYSA-N	306.410	1.284	50	20	DDGD	
C[C@@H](OCc1ccccc1)C(=O)NNC(=O)c1cccc(C#N)c1	103401632	MOKLPVLGQFKWHD-CYBMUJFWSA-N	323.352	1.925	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc(C#N)c1)[C@@H](C)N1CCOCC1	105300264	XTLAHYFHEUXVIX-CHWSQXEVSA-N	317.393	1.294	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H](C)OC[C@H]1CCCO1	67435112	IOMOBLWSRCVFFO-NWDGAFQWSA-N	322.361	1.040	50	20	DDGD	
O=C(NNc1ccc(-c2ccccc2)nn1)[C@H]1COCCO1	176233025	PFVIFIAPGLTOKU-CYBMUJFWSA-N	300.318	1.002	50	20	DDGD	
CCCc1ncc(C(=O)NNC(=O)NCCCOC)s1	173261581	HLOMPVGLEAACOB-UHFFFAOYSA-N	300.384	1.076	50	20	DDGD	
CCNC(=O)NNC(=O)CCc1nc(-c2ccsc2)no1	65190694	GTMPKIZNPWHMGT-UHFFFAOYSA-N	309.351	1.081	50	20	DDGD	
O=C(CNC(=O)N1CCc2ccccc2C1)NNc1ccccc1	111552245	QHJKAFLXAKIWQQ-UHFFFAOYSA-N	324.384	1.898	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cnn(C)c1)c1ccc(Cl)s1	176629321	NWECWKGQUAQZDD-SSDOTTSWSA-N	312.782	1.700	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)C(C)(C)C#N)o1	64049184	XQBZSTJOSVCKCD-UHFFFAOYSA-N	306.366	1.432	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Cc1c[nH]c2cc(F)ccc12	110758100	NEPRXQPWMLWYAK-UHFFFAOYSA-N	315.308	1.342	50	20	DDGD	
CCCN(CC)c1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1	124247989	MVUVGOCNGFQBRS-HNNXBMFYSA-N	319.405	1.863	50	20	DDGD	
CCn1cc(NC(=O)NNC(=O)COCc2ccccc2)cn1	172641629	FXSQMELVMAGIBS-UHFFFAOYSA-N	317.349	1.273	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1cccc(C(F)(F)F)c1	67338112	GDJNACFGVLZHBD-UHFFFAOYSA-N	319.283	1.572	50	20	DDGD	
CCC(CC)[C@@H](C(=O)NNc1cc(C)ccn1)N1CCOCC1	176738768	ZGCJZPMTZWLPJI-INIZCTEOSA-N	320.437	1.970	50	20	DDGD	
CCN(C)[C@@H](C(=O)NNC(=O)c1c[nH]nc1C)c1ccccc1	110761345	XCCIQOAJHHUMOA-CQSZACIVSA-N	315.377	1.172	50	20	DDGD	
C[C@@H](NC(=O)NNc1cc(F)c(F)cc1F)C(=O)N(C)C	172135543	MUWZHFHFTMFTCN-ZCFIWIBFSA-N	304.272	1.207	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)CN(C)C(C)C)c1	63464701	RNNNWNDZKIBXCX-UHFFFAOYSA-N	307.394	1.170	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2cn3ccccc3n2)cc1C	173880766	SLTUKLQAKQWCBL-UHFFFAOYSA-N	322.368	1.955	50	20	DDGD	
CSc1ccc(Cl)c(C(=O)NNC(=O)Cc2cc[nH]n2)c1	171660825	GPGWJMVQTCKSRM-UHFFFAOYSA-N	324.793	1.789	50	20	DDGD	
CC[C@H](CO)NS(=O)(=O)c1ccc(CCCCl)cc1	180669461	AJSWCBYXMROAJQ-GFCCVEGCSA-N	305.827	1.907	50	20	DDGD	
Cc1cccc2c(CC(=O)NNC(=O)Cc3cc[nH]n3)c[nH]c12	186110724	ZLFUTNUWABRFRO-UHFFFAOYSA-N	311.345	1.132	50	20	DDGD	
Cc1nc2ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)cc2o1	180966986	JRDSLRMQORVAQL-UHFFFAOYSA-N	318.333	1.268	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNC(=O)c2ccncc2)cc1	121371391	YNXGIPOJWHSLDC-GFCCVEGCSA-N	313.357	1.730	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1	78474768	MDFHJGLZQXRELG-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
C#CCOCCC(=O)NNc1nnc(-c2ccccn2)s1	188230957	CUIOVKJWNPFZGW-UHFFFAOYSA-N	303.347	1.083	50	20	DDGD	
COCCOCC(=O)NNc1ccc(Br)c(C)c1	120720873	HWNIJPXHVOXZJD-UHFFFAOYSA-N	317.183	1.864	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)C1=CCCCO1	72825280	BOWRHMLKOKYXII-UHFFFAOYSA-N	300.318	1.098	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)CCSc2ccccn2)n1	121679907	OVZCFMMTYPDLPC-UHFFFAOYSA-N	324.797	1.733	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2nnc(C3CC3)s2)C1	184477095	WPSLFYAZUDCCKO-NXEZZACHSA-N	324.406	1.838	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCCNc2ccccn2)n1	46945156	SMBWFYXMXXVHDX-UHFFFAOYSA-N	315.381	1.617	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2ccc(C(F)(F)F)cn2)CCN1	132202810	ATVKWJVLFXPPRU-ZETCQYMHSA-N	302.256	1.070	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)N2CCc3c(F)cccc32)cc1	186292208	QTUWRZLJXZZHPK-UHFFFAOYSA-N	324.315	1.730	50	20	DDGD	
O=C(CCn1ccccc1=O)NNc1ccc([N+](=O)[O-])cc1	134129555	PTZQPTBBQSOHEM-UHFFFAOYSA-N	302.290	1.290	50	20	DDGD	
Cc1nc2ccc(NC(=O)NNC(=O)c3cccnc3)cc2o1	183536369	BJPQEIWFVMFFKM-UHFFFAOYSA-N	311.301	1.998	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C[C@H]2CCCCO2)c1	86978141	KHLRURLAEVIJBT-CQSZACIVSA-N	320.389	1.789	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1c[nH]cc1-c1ccccc1	139563073	RHBHPFLKEOPQRS-UHFFFAOYSA-N	316.361	1.662	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NNc1cc(F)cc(OC)c1	130983364	ZGEVCRBZDSVFJT-LBPRGKRZSA-N	312.345	1.505	50	20	DDGD	
CCC(=O)Nc1cccc(C(=O)NNC(=O)c2ccncc2)c1	193777647	ORGUKXYBAGMHFP-UHFFFAOYSA-N	312.329	1.505	50	20	DDGD	
CCCCOCCNC(=O)NNC(=O)c1c[nH]c2ccccc12	195287984	QEQGVZDPSWUDPQ-UHFFFAOYSA-N	318.377	1.929	50	20	DDGD	
CC[C@H](COC)NC(=O)NNC(=O)c1ccc(Cl)cc1F	83232430	AKKVPMCNYLOJDE-SECBINFHSA-N	317.748	1.848	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NNc1ccccc1C(F)(F)F	146899525	SSQMDFQYSDHCRP-SNVBAGLBSA-N	318.299	1.986	50	20	DDGD	
Cc1cc(C(=O)NNc2nc3ccccn3n2)ccc1[N+](=O)[O-]	191913042	QKCBFDUOQQPXMR-UHFFFAOYSA-N	312.289	1.703	50	20	DDGD	
CC(C)C(=O)N(C)Cc1ccc(C(=O)NNC(=O)C2CC2)cc1	265899523	CWYXCDGZDPYQAA-UHFFFAOYSA-N	317.389	1.472	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H]2CCCN2C2CCCC2)n1	269661416	XSVWJNLUKANWBG-LBPRGKRZSA-N	305.382	1.335	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NNC(=O)c1cc2ccccc2o1	267520094	HHHBJIRLJZYGJZ-UHFFFAOYSA-N	318.333	1.454	50	20	DDGD	
CCOc1ccc(CNC(=O)NNc2cccnn2)cc1OC	265495761	XRLRQAHTCCTYAQ-UHFFFAOYSA-N	317.349	1.710	50	20	DDGD	
COc1ccc(OCCCC(=O)NNC(=O)C2CCC2)cc1	264815863	WKXIDZLMGZGNAC-UHFFFAOYSA-N	306.362	1.802	50	20	DDGD	
CSCC[C@H](N)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	269115519	ZKQYKMAUDLKTTI-QMMMGPOBSA-N	318.786	1.772	50	20	DDGD	
Cn1cc2c(n1)CCC[C@@H]2C(=O)NNc1cnc2ccccc2n1	366958983	LYTFTORHRQTMSU-NSHDSACASA-N	322.372	1.927	50	20	DDGD	
O=C(NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)c1ccc(Cl)nc1	368091510	GLYYHSDVTRRBFI-JBLDHEPKSA-N	309.753	1.311	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C1=NN(C)C(=O)CC1	363451285	TVQPYLAVCSIRBX-UHFFFAOYSA-N	307.262	1.117	50	20	DDGD	
NNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl	270195504	DMRAJXLXQJSOBI-SNVBAGLBSA-N	302.161	1.588	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1	367665893	OHPQAVHPSOHPQI-NSHDSACASA-N	320.324	1.301	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(N2CCCCCC2)nc1	272667233	JHYVZAZMQTVUIP-UHFFFAOYSA-N	319.409	1.768	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1cc(C(N)=O)ccc1F	274168455	NSXNZPCNRJLOGY-UHFFFAOYSA-N	312.301	1.486	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)NCCCC#N	273561238	NIBSHNSUYXECPV-UHFFFAOYSA-N	310.741	1.596	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCC2(SC)CCC2)n1	279892128	DGSSJEQMQNKUOX-UHFFFAOYSA-N	311.411	1.705	50	20	DDGD	
Cc1cnc(Cl)c(NC(=O)C(=O)NNC(=O)CC(C)C)c1	276392348	PQVUXGRVDGQQTM-UHFFFAOYSA-N	312.757	1.175	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc(N2CCCC2)c1	274427100	PLADQXBYTBBVQF-UHFFFAOYSA-N	305.382	1.985	50	20	DDGD	
CC1=C(C(=O)NNC(=O)COc2ccc(C)cc2)SCCO1	280768032	MNPPXKIDYJLTMV-UHFFFAOYSA-N	322.386	1.516	50	20	DDGD	
CSSCCNC(=O)Cc1ccccc1S(C)(=O)=O	284081889	MNIOZIFYESAPAY-UHFFFAOYSA-N	319.473	1.760	50	20	DDGD	
COC(=O)[C@]1(C)CN(C(=O)NNC(=O)c2ccccc2)C[C@H]1C	282456544	GXHCKIGVLYLRLE-BDJLRTHQSA-N	319.361	1.172	50	20	DDGD	
COC(=O)N(C)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1	286549933	ZEIHSMYPUXGKIL-UHFFFAOYSA-N	310.310	1.516	50	20	DDGD	
CCOCCOC1CN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C1	280093146	DGFZAQHIGZRWET-ZROIWOOFSA-N	316.357	1.563	50	20	DDGD	
CSSCCNC(=O)N(CCCO)Cc1ccccn1	287725027	HAKDCOJTMVIXNS-UHFFFAOYSA-N	315.464	1.987	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)CCCc2ccccc2)cnn1C	292132380	GVLRCGUPOAZABZ-UHFFFAOYSA-N	314.389	1.441	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C(C)c1cn(C)c(C)n1	800805993	KZNDFNFWEBFNDI-UHFFFAOYSA-N	316.361	1.656	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)COc1cccc(C)c1)C1CC1	296168226	KZTXZANCEGKYAC-AWEZNQCLSA-N	321.377	1.129	50	20	DDGD	
O=C(NNC(=O)c1cccc(O)n1)Nc1cc(F)cc(F)c1	803396024	KHLCTWUKDXALAQ-UHFFFAOYSA-N	308.244	1.532	50	20	DDGD	
Cc1nnc(CCNC(=O)/C(C#N)=C/c2ccc(O)cc2)n1C	803175051	WMBCXWPYILNMPB-UKTHLTGXSA-N	311.345	1.095	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H](C)OCC)cc1	298389257	DNQBDEMXZIRKQI-NEPJUHHUSA-N	324.377	1.425	50	20	DDGD	
C[C@H](NC(=O)NNc1cc(C(F)(F)F)ccn1)C(=O)N(C)C	296764906	IESFFTGCYWZGTI-ZETCQYMHSA-N	319.287	1.203	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2cn(C)cn2)c(Cl)c1	802047695	FUVQLHIRZDVPOR-UHFFFAOYSA-N	307.741	1.848	50	20	DDGD	
C[C@@H]1CC(=O)N[C@H](C(=O)NNc2ccc(OC(F)F)cc2)C1	293459604	UABNDCKHGPWFSY-KWQFWETISA-N	313.304	1.646	50	20	DDGD	
Cc1cc(C(=O)NNc2cccc(F)n2)ccc1-n1cncn1	804769348	CNDCLIVAZJYHSB-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)[C@H]1COCCN1CC(F)F	293661494	JLCNWBIYMIWZKF-MRVPVSSYSA-N	320.727	1.144	50	20	DDGD	
CCc1ccc(OCC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	293212490	VDWSCDRQRDTDHT-FZMZJTMJSA-N	306.362	1.343	50	20	DDGD	
CCc1c(C(=O)NNC(=O)Cc2ccc(F)cc2)ccn1C	809981547	OJXNMMTXPPPJFR-UHFFFAOYSA-N	303.337	1.730	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccc([N+](=O)[O-])c(Cl)c1	817080132	VFHOZKSAKMLJQQ-UHFFFAOYSA-N	311.660	1.934	50	20	DDGD	
Cc1c(C(=O)NN(C)C2CC2)nnn1-c1ccccc1Cl	819647253	KQQYNUBJCUPALE-UHFFFAOYSA-N	305.769	1.968	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@]1(C)CC1(F)F	817251385	JZTBOWITPVBCPI-QPUJVOFHSA-N	306.309	1.157	50	20	DDGD	
CC(C)=CC(=O)NCc1ccc(C(=O)NNc2nc[nH]n2)cc1	816632484	KUOJKGRRAOROLZ-UHFFFAOYSA-N	314.349	1.144	50	20	DDGD	
COc1cnc(C(=O)NNc2ncnc3ccsc23)nc1	815827832	PVQJEYJAULJNRI-UHFFFAOYSA-N	302.319	1.247	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCCCC1)c1ccc(N)nc1	814763461	DOPJIROLNFHAKM-GFCCVEGCSA-N	303.410	1.626	50	20	DDGD	
CO[C@H]1CCC[C@@H](C(=O)NNC(=O)c2ccc(C#N)cc2)C1	814407803	NPKFWNMOSFSUIF-KGLIPLIRSA-N	301.346	1.524	50	20	DDGD	
CCC1(CC)C(=O)NCCC1=NNC(=O)c1ccc(N)cc1	819801895	UXTWCYZHOBYFKP-UHFFFAOYSA-N	302.378	1.681	50	20	DDGD	
Cn1ncc2ccc(CNC(=O)NNc3ncncc3F)cc21	814338347	HZDATFDBTCEBAL-UHFFFAOYSA-N	315.312	1.329	50	20	DDGD	
CSSCCNC(=O)NC[C@H]1CC[C@H](C(N)=O)CC1	817168071	SEUDQISJOQRBRV-MGCOHNPYSA-N	305.469	1.589	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2cc(Cl)nc(Cl)c2)CN1	818915062	KUXBUJNLZKIUDY-ZCFIWIBFSA-N	303.149	1.358	50	20	DDGD	
CN(C)c1cc(NC(=O)NNc2ccc([N+](=O)[O-])cc2)ncn1	810217802	KUWZUNYEZGFUSF-UHFFFAOYSA-N	317.309	1.599	50	20	DDGD	
C[S@@](=O)c1ccc(CC(=O)NNc2ncncc2F)cc1	817079794	ZUJKMLYQHXNIDB-OAQYLSRUSA-N	308.338	1.039	50	20	DDGD	
CN(C)CC(=O)NN=C/C=C1\N(C)c2ccccc2C1(C)C	727649190	ARSSLFTUVNXTIQ-BZPDJMBLSA-N	300.406	1.962	50	20	DDGD	
N#Cc1ccsc1NC(=O)C(=O)NNC(=O)c1ccccc1	815557706	BKQCQBQWFDLOMI-UHFFFAOYSA-N	314.326	1.019	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1cc(CN2CCCC2)on1	812532552	XCGIAJRGWIGKPC-UHFFFAOYSA-N	321.768	1.498	50	20	DDGD	
CCN(CCO)NC(=O)c1c(-c2ccccc2C)noc1C	823879653	QSLOCVYELOLQTG-UHFFFAOYSA-N	303.362	1.917	50	20	DDGD	
CCCCS(=O)(=O)CC(=O)NNc1cc(F)ccc1C	824848932	GGEJSLYMMSKAOA-UHFFFAOYSA-N	302.371	1.792	50	20	DDGD	
CC(=O)C(C)(C)CCC(=O)NNc1cccc(-c2nn[nH]n2)c1	823962591	LRGQTSNPSMXSET-UHFFFAOYSA-N	316.365	1.705	50	20	DDGD	
CCCc1noc2nc(CC)cc(C(=O)NN(C)[C@@H](C)CO)c12	823922878	NLZHKLKUEDNIGT-JTQLQIEISA-N	320.393	1.695	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@H]1CO[C@H](C)C1)c1ccccc1	827612913	QWLXARBKUQDRBH-BNOWGMLFSA-N	305.378	1.688	50	20	DDGD	
CN(C)CC[C@@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(C)(C)C	491133145	OMYHTOMSLCRLRR-AAWPKVBNSA-N	317.437	1.810	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1	826649140	ZWLDMTBRGVAKBK-WBMYTEFPSA-N	321.352	1.437	50	20	DDGD	
COC(=O)C1(C)CN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C1	491101359	DRAKOOVXGAHOIU-GHXNOFRVSA-N	300.314	1.321	50	20	DDGD	
CC(C)(C)CCC1(O)CC(C(=O)NNC(=O)NCC2CC2)C1	822786352	OGZKICICABXQPC-UHFFFAOYSA-N	311.426	1.694	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@H](C)c2nncn2C)cc(C#N)n1C	490639114	QXQGFYCSYVKDLG-YNHMVAKQSA-N	323.360	1.118	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1	491100315	APAGFOSWLJDJAJ-FZDNWWAKSA-N	320.393	1.035	50	20	DDGD	
CC[C@@H](CC(F)(F)F)C(=O)NNc1ccnc(N(C)C)n1	825987603	MQJZLXDLHHLHBG-QMMMGPOBSA-N	305.304	1.964	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cccc(N(C)C)c1	726075876	ILNPTFWVSPZNDT-UHFFFAOYSA-N	324.450	1.240	50	20	DDGD	
CN(C)CC(=O)NN=Cc1csc(COc2ccccc2)n1	727647908	NIGSBSGPHQRMRY-UHFFFAOYSA-N	318.402	1.734	50	20	DDGD	
CN(C)CC(=O)NN=Cc1cc(Cl)ccc1OC(F)F	727647730	FKLLCGQICLKFFE-UHFFFAOYSA-N	305.712	1.953	50	20	DDGD	
CC/C(C)=C(/C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	825050684	KYJGPVCXFARIQY-KTKRTIGZSA-N	314.349	1.374	50	20	DDGD	
CC(C)C1CCC(N(C)C(=O)c2cccc(B(O)O)c2)CC1	584982244	JGWOWEIXNZIPNF-UHFFFAOYSA-N	303.211	1.653	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(Cl)ncc1F	823476497	ZKKDOPPNOOFMLB-BQBZGAKWSA-N	301.705	1.060	50	20	DDGD	
O=C(NNC(=O)c1ccc(-c2nn[nH]n2)s1)c1ccccc1	823277588	RADVMFZMYRDOOK-UHFFFAOYSA-N	314.330	1.003	50	20	DDGD	
CN(C)Cc1ccc(NCc2ccc(B(O)O)cc2)c(F)c1	585045977	KZDXCVCJFYSGNN-UHFFFAOYSA-N	302.158	1.179	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)/C=C/c2cncc(F)c2)n1	491998723	AGZIRBMPJRBADW-AATRIKPKSA-N	300.293	1.399	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cccn(Cc2ccccc2)c1=O	495623594	AYPFUWMSAPOQAY-UHFFFAOYSA-N	315.329	1.240	50	20	DDGD	
C[C@@H](Cc1ccc(N(C)C)cc1)NCc1cccc(B(O)O)c1	585029337	QUZWGKQPDIOPOS-AWEZNQCLSA-N	312.222	1.153	50	20	DDGD	
OB(O)c1cccc(-c2noc([C@H]3CCCCC3(F)F)n2)c1	585052593	RMRHLIPEKVNULF-LLVKDONJSA-N	308.093	1.709	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1ccc(-c2nn[nH]n2)cc1F	821691556	YRGKOXZFQNICMJ-IZZDOVSWSA-N	317.280	1.102	50	20	DDGD	
CCCCO[C@@H]1C[C@@H](NCC(=O)NNC(=O)C(C)C)C1(C)C	829681579	YRPSDNFBKVJFIV-CHWSQXEVSA-N	313.442	1.363	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)NNC(=O)NC1CC1	496624472	PPBKQXLMJIKPQY-IUCAKERBSA-N	314.386	1.029	50	20	DDGD	
COc1ccccc1C(=O)NN=Cc1c(CO)cnc(C)c1O	731487311	PKENXSWBXCICAH-UHFFFAOYSA-N	315.329	1.360	50	20	DDGD	
CC[C@@H](C)[C@H](C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C	495086063	JZVLBYXYRXZIAD-ZJUUUORDSA-N	301.387	1.341	50	20	DDGD	
CCOC(=O)NCC(=O)NNc1ccnc(Br)c1	495513456	RUQKYIRPZXXBHS-UHFFFAOYSA-N	317.143	1.033	50	20	DDGD	
CSCCNC(=S)NNC(=O)C1=CCC(C)(C)CC1	836781996	NDHIRAOOYUUNEO-UHFFFAOYSA-N	301.481	1.981	50	20	DDGD	
Cc1cccc(CC(=NNC(=O)C(=O)NC(C)C)C2CC2)c1	736429985	KTVATHSXIATFIJ-UHFFFAOYSA-N	301.390	1.944	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CCCCN2C(=O)C(C)C)ncn1	734253900	KFMLHTOWJMSBJI-LBPRGKRZSA-N	305.382	1.265	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NC1CCCCC1)N1CCCCC1	905104301	QHXMWTULDUHEKQ-UHFFFAOYSA-N	310.442	1.914	50	20	DDGD	
Cn1ncc(CCCNC(=O)[C@]2(C)C[C@@H]2Br)n1	908420205	UIVQQXJZFBMPDC-GXSJLCMTSA-N	301.188	1.037	50	20	DDGD	
CCc1ccc([C@@H](C)NCc2ccc(B(O)O)cc2F)cc1	585013969	DUYIDZGRJWSBGS-GFCCVEGCSA-N	301.170	1.919	50	20	DDGD	
CC[C@H](C)[C@@H](NNC(=O)COc1ccc(F)cc1)C(=O)OC	905748703	YENNXNMQOQRMPK-IINYFYTJSA-N	312.341	1.413	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCN(C)CC(F)(F)F)n1	732673410	GOWBCRIGROZUOC-UHFFFAOYSA-N	320.319	1.214	50	20	DDGD	
CCC[C@H](NC(=O)NNC(=O)c1cnn(C)c1)C1CCCC1	838777009	CWGNBEMMNRHKFC-ZDUSSCGKSA-N	307.398	1.723	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc(N2CCOCC2)c(F)c1	730209218	UJUAFPQGUPAPEF-UHFFFAOYSA-N	323.368	1.469	50	20	DDGD	
C[C@]1(C(=O)N(CCO)Cc2cccnc2)C[C@@H]1Br	907070890	HWCFUJGWFXSSRN-AAEUAGOBSA-N	313.195	1.576	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C	837628152	QKHHTJUZJWOXCX-LLVKDONJSA-N	315.414	1.241	50	20	DDGD	
C=C(Cl)CNC(=O)NNC(=O)c1ccc2ccccc2n1	736399756	BOXUTLGBEIDGJP-UHFFFAOYSA-N	304.737	1.931	50	20	DDGD	
C[C@]1(C(=O)NNc2ccc(S(C)(=O)=O)cc2)CCCCO1	837489116	UXUBDSRHVBLUCY-CQSZACIVSA-N	312.391	1.492	50	20	DDGD	
N[C@@H](CC(F)F)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	831835467	OSYWKWBADYCOOV-LURJTMIESA-N	308.672	1.674	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cn(-c2cccc(F)c2)nc1C	839718463	SQJVJJPZUKYLFB-UHFFFAOYSA-N	319.340	1.626	50	20	DDGD	
CCC[C@@H](C(=O)NNc1ccc(F)cc1C)S(N)(=O)=O	830796927	HZBXTZKIQOKQSE-NSHDSACASA-N	303.359	1.034	50	20	DDGD	
CN(CC(=O)NNC(=O)C1CC1)[C@H]1CCC[C@H]1c1ccccc1	839175885	RXVXWTIJEOYLBO-HOTGVXAUSA-N	315.417	1.812	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)N=c1cc[nH]cc1)C1CCCC1	836644590	OIQMJXLLFBUKQF-ZDUSSCGKSA-N	305.382	1.808	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C1CCN(C(=O)CC(C)(C)C)CC1	735411608	LGQXSTBOLSCAQP-UHFFFAOYSA-N	319.409	1.863	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNc1nccnc1C1CCC1	839764688	GDGAUXIFEOPSKN-NSHDSACASA-N	306.366	1.777	50	20	DDGD	
CCO[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)[C@@H]1CCCCO1	838726359	DSZLSNDTXGGBSX-UPJWGTAASA-N	313.398	1.234	50	20	DDGD	
O=C(CSCc1ccc(Cl)cc1Cl)NCB(O)O	585061949	NUGBTPKCFYTVED-UHFFFAOYSA-N	307.995	1.355	50	20	DDGD	
CC[C@@H]1CCC[C@H]1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	832894035	JBRWPPUDXISXGN-FRRDWIJNSA-N	302.440	1.305	50	20	DDGD	
CO[C@](C)(C(=O)NNc1ccc(C#N)cc1)C(=O)OC(C)(C)C	830776363	HHFZRHYUQXJXFX-MRXNPFEDSA-N	319.361	1.748	50	20	DDGD	
CCC(=O)N1CCC(=NNC(=O)c2ccnc(N(C)C)c2)CC1	731562260	SONJKALDWZUMGC-UHFFFAOYSA-N	317.393	1.266	50	20	DDGD	
CS(=O)(=O)CCCNC(=O)NNc1ccc(F)cc1Cl	918171501	PSTWMMOQOYALNN-UHFFFAOYSA-N	323.777	1.540	50	20	DDGD	
Cc1cc(CC(=O)NN=C2CCN(CC(F)(F)F)CC2)n[nH]1	915958414	CWVIUKWLNANMAS-UHFFFAOYSA-N	317.315	1.391	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2nnc(C)s2)c(O)c1	919673827	MNFCIRYIQUFLML-UHFFFAOYSA-N	307.335	1.327	50	20	DDGD	
O=C1CC[C@H](CC(=O)NNc2nccc3sccc23)CN1	839682999	KOLAVIOUYWQOPV-SECBINFHSA-N	304.375	1.656	50	20	DDGD	
C[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)C(F)(F)F	745618114	UZWKWLDHJCBOEM-MRVPVSSYSA-N	318.251	1.189	50	20	DDGD	
Cn1cccc1C(=O)NNC(=S)NCCc1cccs1	913055061	BMPUEHGFYZCDDJ-UHFFFAOYSA-N	308.432	1.438	50	20	DDGD	
CCn1nc(C(=O)NN=Cc2ccn(C)c2)c2ccccc2c1=O	749854270	KQBFJHFDPWBBBX-UHFFFAOYSA-N	323.356	1.519	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2ccc(O)c(O)c2)cc1OC	916289943	LYPWBEXMJHWZDF-UHFFFAOYSA-N	316.313	1.879	50	20	DDGD	
CC(C)(C)C[C@@H]1C[C@H]1NC(=O)NNC(=O)N=c1cc[nH]cc1	845388718	NRUZQNMJYPAMFU-CMPLNLGQSA-N	305.382	1.664	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1SCCc2ccccc21	843652198	IPFKZHGOIYDMHL-SUHUHFCYSA-N	320.414	1.589	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(O[C@@H](C)C#N)cc1	748260459	UANYGZPBUUBOLJ-STQMWFEESA-N	319.361	1.479	50	20	DDGD	
Cc1cc(NNC(=O)c2cccc3c2OCCCO3)ncn1	846634585	AEIFRHTXVIWGPW-UHFFFAOYSA-N	300.318	1.703	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCOc1ccc(F)c(Cl)c1	910169949	IHEXIXPICJXUKA-SECBINFHSA-N	304.749	1.592	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C2(N(C)C)CCC2)cc1	846374226	MFZQVPROEZSQQC-UHFFFAOYSA-N	305.378	1.330	50	20	DDGD	
C[C@H](Oc1ccc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)cc1)C(=O)O	842560763	NHZGUZPJQZZVNA-UHIISALHSA-N	320.345	1.414	50	20	DDGD	
CC(C)(C)N1C[C@H](C(=O)NNC(=O)c2ccccc2)CC1=O	914709007	QORQOYNNNIHNLH-GFCCVEGCSA-N	303.362	1.095	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1ccccc1OCC(=O)O	842555430	OEZCAGGNQIXAQB-PWSUYJOCSA-N	306.318	1.025	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cncc(C)c2)c1O	743316833	IKTMXJWFGSMIII-UHFFFAOYSA-N	301.302	1.179	50	20	DDGD	
CCSc1ccc(CC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	843658173	DUIALNWNXGVZAB-RISCZKNCSA-N	322.430	1.914	50	20	DDGD	
O=C(NNc1ncncc1Cl)N[C@H]1CCCN2CCCC[C@@H]12	848674953	MYYCKEKJFGIRAT-RYUDHWBXSA-N	324.816	1.773	50	20	DDGD	
CC(=NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)c1cc(C(=O)O)ccc1O	844611922	NYYUROMVEVCFPD-SCDSUCTJSA-N	318.329	1.498	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)C1CC2(CCC2)C1	843552967	VUSBVKMXGIUWBL-UHFFFAOYSA-N	302.374	1.931	50	20	DDGD	
COc1ccnc(NNC(=O)c2cnc3n2[C@H](C)CCC3)n1	845181311	HLQXTHMRGMQIFT-SECBINFHSA-N	302.338	1.336	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@H](C#N)CC	845078769	ZBXHWTOVTVRYKK-NSHDSACASA-N	305.334	1.161	50	20	DDGD	
CC(C)(CNC(=O)NNc1c(F)cccc1F)S(C)(=O)=O	748965641	HCEZFOWLMRCBRU-UHFFFAOYSA-N	321.349	1.414	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](C)C(=O)OC(C)(C)C)c1	840420123	QEBFAXQADOZJGY-JTQLQIEISA-N	322.361	1.894	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CCCS2(=O)=O)ccc1Cl	928338533	JVNMXUCKLUJIPW-LLVKDONJSA-N	302.783	1.669	50	20	DDGD	
C[C@]1(CC(=O)NNC(=O)c2ncccn2)CC1(Cl)Cl	841353659	XXTWBCJPJBJYSV-JTQLQIEISA-N	303.149	1.212	50	20	DDGD	
CCN[C@H](C)CNC(=O)NNC(=O)c1cn(C)c2ccccc12	841983713	GEPBPDMFNLXGII-LLVKDONJSA-N	317.393	1.120	50	20	DDGD	
CCC[C@H](CC)S(=O)(=O)NNC(=O)c1cccc(C#N)c1	844654089	JGURMUWNQUQRNZ-ZDUSSCGKSA-N	309.391	1.701	50	20	DDGD	
CC(CCO)=NNC(=O)Cc1nc(O)c2c(C)c(C)sc2n1	749853819	CJNXHSLYXJNWGL-UHFFFAOYSA-N	322.390	1.431	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1	840237945	TWIJHYFGOOAQGB-NWDGAFQWSA-N	320.374	1.380	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)C(F)(F)c1ccc(F)cc1	843646966	LEKMOTQONSBQLT-LDYMZIIASA-N	316.279	1.490	50	20	DDGD	
CCc1ccc([C@H](C)CC(=O)NNC(=O)c2ncccn2)cc1	841349851	AGNMEEYRAPASJP-GFCCVEGCSA-N	312.373	1.994	50	20	DDGD	
CC(C)Oc1cccc(C(=O)NNC(=O)CC(F)(F)F)n1	755259401	VRJBFYRULXDKGX-UHFFFAOYSA-N	305.256	1.582	50	20	DDGD	
Cc1cnc(COC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)cn1	750122358	BJPNFMNXLJRXPC-LNKIKWGQSA-N	321.340	1.954	50	20	DDGD	
CO[C@@H]1COCC[C@H]1CNC(=O)NNc1cc(F)ccc1C	854105810	KAXZHHGQXCRBQF-SMDDNHRTSA-N	311.357	1.812	50	20	DDGD	
CC1(C)CC(=NNC(=O)C(=O)N2CCCC2)c2ccccc2O1	751526765	QCVXHNJKYJRWJG-UHFFFAOYSA-N	315.373	1.690	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H](C)Cc2ccc(F)cc2)nc1O	921074241	NHZCCBZNMNTSCX-MRVPVSSYSA-N	305.313	1.347	50	20	DDGD	
CCOC[C@@H]1C(=O)N(C[C@]2(C)C[C@H]2Br)C(=O)N1C	857228152	ZJMIYXIIFVADGP-LNLATYFQSA-N	319.199	1.459	50	20	DDGD	
CC1CCN(C[C@H](C)C(=O)NN=C2CCCN(C)CC2)CC1	758100550	WDSRKHFOYYXJIU-HNNXBMFYSA-N	308.470	1.942	50	20	DDGD	
COCC(=NNC(=O)c1cccc(C(=O)O)c1)C1CCOCC1	853425563	HBEGMRIGBYSIQY-UHFFFAOYSA-N	320.345	1.544	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)CO)cc1OCC	753445615	QIHMUIACOICHDD-UHFFFAOYSA-N	310.350	1.018	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Nc2cc(C)ccn2)c1O	758000270	LGWYNFOOBJKXHT-UHFFFAOYSA-N	316.317	1.571	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H](C(=O)NNC(=O)OCC(F)(F)F)C1(C)C	856022690	LEZKTQPLCITVBI-HTQZYQBOSA-N	324.299	1.948	50	20	DDGD	
COC[C@H](C)S(=O)(=O)NC[C@@]1(C)C[C@@H]1Br	856756638	QYOSFCKTQXRUDI-XHNCKOQMSA-N	300.218	1.114	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)c2sccc2C2CC2)nn1	757407355	IKLXECQFRCBOKL-UHFFFAOYSA-N	303.347	1.271	50	20	DDGD	
COc1nc(Cl)c(C=NNC(=O)Cc2cccnc2)s1	755696658	SQZASBWYOMKAFQ-UHFFFAOYSA-N	310.766	1.893	50	20	DDGD	
C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H]1Br	857249143	BXXQKUIVLRLGEI-SCZZXKLOSA-N	302.128	1.826	50	20	DDGD	
CN(CC(=O)NC[C@]1(C)C[C@H]1Br)[C@@H]1CCSC1	857393922	JRLPFHFADZVNMN-FOGDFJRCSA-N	321.284	1.713	50	20	DDGD	
O=C(CC(C1CCC1)C1CCC1)NNC(=O)C(=O)NC1CC1	858167655	GRNXEJANJLDKNW-UHFFFAOYSA-N	307.394	1.019	50	20	DDGD	
CC(C)(C)n1nnc(C=NNC(=O)Nc2cc(F)cc(F)c2)n1	853352662	DECYPLULWHJEOX-UHFFFAOYSA-N	323.307	1.862	50	20	DDGD	
C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NNC(=O)CC(F)(F)F	855001127	VPMCIBQGDVZJRP-NOZJJQNGSA-N	318.295	1.641	50	20	DDGD	
C[C@@]1(CNC(=O)NCCC2CC(O)C2)C[C@@H]1Br	856956326	YHHAVKISJRLXFT-GZJRGEOXSA-N	305.216	1.620	50	20	DDGD	
Cc1nnc(NC(=O)NNC(=O)c2cccc(C#N)c2)s1	755427890	HEGLLMGJJGJBBQ-UHFFFAOYSA-N	302.319	1.185	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NNc2ccnc(N(C)C)n2)C1	857859467	UYQAZCYZNAYUGZ-MWLCHTKSSA-N	315.381	1.075	50	20	DDGD	
CC(C)(C=NNC(=O)CNC(=O)c1cccnc1)CCC#N	755774324	PRPOUOFMLAHQJL-UHFFFAOYSA-N	301.350	1.243	50	20	DDGD	
Cn1nnc2c1C[C@H](C(=O)NNc1ccc(Cl)cn1)CC2	856092171	PNVLOKQTSDVMCQ-MRVPVSSYSA-N	306.757	1.112	50	20	DDGD	
COC1(C(C)=NNC(=O)CCCNC(=O)C(C)(C)C)CCC1	853406755	RAYAGBRPOWYRFU-UHFFFAOYSA-N	311.426	1.990	50	20	DDGD	
C#C[C@@H](CC)NC(=O)NNC(=O)COc1ccccc1OCC	854068731	LOEUEYYGABCJSX-LBPRGKRZSA-N	319.361	1.206	50	20	DDGD	
Cc1cc2c(cc1NC(=O)NNC(=O)c1ccncc1)OCO2	757979191	ORYQJUYBJROHMO-UHFFFAOYSA-N	314.301	1.585	50	20	DDGD	
CN(C)c1ncnc2c1cc(C(=O)N1CC=C(C#N)CC1)n2C	760002891	DNWHMZPMNWXYLM-UHFFFAOYSA-N	310.361	1.330	50	20	DDGD	
C[C@H](NNC(=O)C1CN(C(=O)OC(C)(C)C)C1)C(F)(F)F	862318599	RMOSUQIXXQUNFT-ZETCQYMHSA-N	311.304	1.425	50	20	DDGD	
CCCCCOc1ccc(C=NNC(=O)[C@@H]2CCC(=O)N2)cc1	863145180	GQQYORAMPAFPCI-HNNXBMFYSA-N	317.389	1.984	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)Oc1ccc2c(c1)C(=O)NC2	867178043	GWYNSWDSOYNDEU-UHFFFAOYSA-N	317.794	1.904	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2c(=O)o1)c1ccccn1	763875825	QOZTVFNSVWUYPR-UHFFFAOYSA-N	309.281	1.263	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)c1ccc(OC)c(OC)c1	864442872	MPUDAENLRVSDJN-UHFFFAOYSA-N	310.350	1.280	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C(C)(C)OCC	864468818	NILBQCMWRZWGJN-UHFFFAOYSA-N	324.377	1.427	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1ccc2c(c1)COC2	768585454	NBBVZOFQUHMFRQ-UHFFFAOYSA-N	314.370	1.743	50	20	DDGD	
Cc1onc(-c2ccncc2)c1C(=O)NNC(=O)C1CCCC1	764819035	OCMNAPZWTZJIRS-UHFFFAOYSA-N	314.345	1.996	50	20	DDGD	
COCCOCC(=O)NNC(=O)CCC(C)(C)c1ccccc1	869908781	XBFYBHXOHHAXJB-UHFFFAOYSA-N	322.405	1.555	50	20	DDGD	
CC(=O)Nc1cccc(CC(=O)NN[C@H](C)C(F)(F)F)c1	862322841	MHOSGRTXBJFDGX-MRVPVSSYSA-N	303.284	1.759	50	20	DDGD	
O=C(CCn1ccccc1=O)NNCC(F)(F)C(F)(F)F	863093093	WVIRUSYWBIKEDF-UHFFFAOYSA-N	313.226	1.057	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1csc(CO)n1)c1ccccc1	865692615	FRZRJHRJUZYEFW-NSHDSACASA-N	319.386	1.590	50	20	DDGD	
COc1cccc(NNC(=O)c2cncc(N3CCCC3)n2)n1	867287493	SZYMICPQRCQFME-UHFFFAOYSA-N	314.349	1.237	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)CCc2ccc(O)nc2)nn1	1116849543	BAAALDMHMGIKMK-UHFFFAOYSA-N	315.377	1.951	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNc1cncc(Br)c1	1116389953	SPRWDPOCGDAUJF-LLVKDONJSA-N	302.172	1.838	50	20	DDGD	
CCCCN(CCCO)CC(=O)NNC(=O)c1ccc(C)cc1	775560750	IAQPCRRAFZMECY-UHFFFAOYSA-N	321.421	1.241	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)[C@H](CC)c2ccccc2)nn1C	1116526805	DLALLIFBUOZBCQ-CQSZACIVSA-N	314.389	1.937	50	20	DDGD	
COC(=O)COc1cccc(C(=O)NNc2ccccn2)c1	777473513	LEYFICYOKGGWIM-UHFFFAOYSA-N	301.302	1.390	50	20	DDGD	
CCOc1ccc2c(c1)[C@H](NC(=O)NN(C)C(=O)OC)CCO2	875506498	KMIDQUPWFPCELJ-GFCCVEGCSA-N	323.349	1.821	50	20	DDGD	
O=C(COC(=O)C1(F)CCCC1)NNC(=O)c1ccccc1	772778983	GVGWWNHIQPZUOH-UHFFFAOYSA-N	308.309	1.273	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2occ(C)c2C)nc1C	1117114893	WMYLOILSMKUWLY-UHFFFAOYSA-N	318.333	1.928	50	20	DDGD	
COc1cccc(OCCN2CCN(C(=O)CCl)CC2)c1	1116438510	TXMSOZZCAIZKSX-UHFFFAOYSA-N	312.797	1.457	50	20	DDGD	
C[N+](C)(C)CC(=O)NN=C(C[C@H]1CCCO1)c1ccc(F)cc1	1117683847	JGJZPBRRZFUJGK-OAHLLOKOSA-O	322.404	1.921	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C2=C(C)OCCC2)cn1	874953801	JJHZDIFTLHRJLI-UHFFFAOYSA-N	322.390	1.492	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)/C=C\[C@H]1CCOC1	873770616	RZAHHYKIOARJNS-ZADCQDASSA-N	321.402	1.606	50	20	DDGD	
CC[C@H](CSC)N(C)CC(=O)NNC(=O)c1cccc(C)c1	777724260	NPOIJRASMCAMCO-CQSZACIVSA-N	323.462	1.829	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C#Cc1ccccc1	772070685	LHKOHCDWVQBCAC-UHFFFAOYSA-N	308.337	1.437	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@H]1CCO[C@H]1C	770575713	UFXQWNAPAZZCRC-RYUDHWBXSA-N	322.361	1.037	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc2cc(F)ccc2[nH]1	771932592	YFYPXEPMNHDZKF-QMMMGPOBSA-N	321.308	1.410	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cc(Cl)ncc1Cl	883069095	UIDBCCQMSKHXCJ-UHFFFAOYSA-N	318.160	1.576	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCc1ncc2c(n1)CCC2	882407142	FTIBCJOWARQICT-UHFFFAOYSA-N	317.842	1.650	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](C[C@@H]1CCCO1)C(F)(F)F	887150286	FAQCFJYVVXVGQL-WDEREUQCSA-N	320.311	1.685	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ncc(Cl)cc1Cl	1120783400	XWEDAHVUMMLOAU-UHFFFAOYSA-N	300.145	1.953	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@@H](C)NC(=O)NNc1ccc(C#N)cn1	889239237	LGMDPXGHUNUQPP-MEBBXXQBSA-N	303.366	1.783	50	20	DDGD	
CN1CCC(CCO)(NC(=O)C2CCC(Cl)CC2)CC1	1123684098	DFYPXIFEUTYJCB-UHFFFAOYSA-N	302.846	1.747	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCc2c(O)cccc21)c1ccccn1	789726617	BTLPFQJJPLPTMY-ZDUSSCGKSA-N	311.341	1.668	50	20	DDGD	
Cn1nncc1NNC(=O)C1(c2cccc(F)c2)CCCC1	880120987	ARSXURKNIBUCSH-UHFFFAOYSA-N	303.341	1.909	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C1CCOCC1)c1c(F)cccc1F	883067701	RJXHHIHQAFLCAK-SECBINFHSA-N	312.316	1.642	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(CN2CCCCC2)o1	887153038	FTCJGPSWKNAUEQ-UHFFFAOYSA-N	317.389	1.830	50	20	DDGD	
CC(C)CN1CC[C@H](CNC(=O)NNc2ccc(C#N)cn2)C1	888557294	JLIPEFJULZQYLC-CQSZACIVSA-N	316.409	1.557	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H]2CCC[C@@H]2OC)ccc1F	1120655471	FIVMAUKNQCBODM-GWCFXTLKSA-N	310.325	1.871	50	20	DDGD	
CCN(CC)C(=O)CNC(=O)/C(C#N)=C\c1ccc(O)cc1	787200621	SMNUAPUNOPLJPT-LCYFTJDESA-N	301.346	1.284	50	20	DDGD	
CC[C@]1(C)CN(C(=O)NNC(=O)c2cccc(C#N)c2)CCO1	785572182	WEAYOXYCODJRLW-MRXNPFEDSA-N	316.361	1.414	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1F)[C@@H]1CCCCS1(=O)=O	885151929	RHUPHNRCDCWCKO-JTQLQIEISA-N	322.308	1.514	50	20	DDGD	
O=S(=O)(CBr)NC[C@@H](O)C1CCCCC1	782453902	BGHLMPKANONUIM-SECBINFHSA-N	300.218	1.199	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2cc(F)c(F)cc2F)C(=O)O1	896342131	BOSODSSZPITGGC-RRAGMBSWSA-N	303.240	1.434	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@@H](c1ccncc1)C1CC1	899008598	NTINBRBSTVGYEC-UONOGXRCSA-N	318.377	1.432	50	20	DDGD	
CO[C@@H](C(C)=NNC(=O)CN1CCCC1=O)c1ccccc1	782168339	CRHSRCWWTGPTON-INIZCTEOSA-N	303.362	1.489	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H](O)c1cccc(Br)c1	899946800	IYJJCDPRXGOBQD-JTQLQIEISA-N	315.167	1.286	50	20	DDGD	
CCOc1ccc([N+](=O)[O-])cc1NC(=O)NNc1cnccn1	799234968	PXAQSNAASDJJQI-UHFFFAOYSA-N	318.293	1.932	50	20	DDGD	
C=C(CBr)COC(=O)C[C@@H]1CCS(=O)(=O)C1	795403842	ZBCMPPKCAAMSTQ-VIFPVBQESA-N	311.197	1.306	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1cc(Br)ccn1	794333633	NNSJUYJGFRJBBW-UHFFFAOYSA-N	324.138	1.639	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)C2CC(C)(C)C2)nc2ccccc21	794613598	OOESEXALHKMIIG-UHFFFAOYSA-N	314.389	1.699	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNC(=O)c1cc(OC)cc(OC)c1	791070644	WZXRCYAFQVHNNO-GFCCVEGCSA-N	319.361	1.450	50	20	DDGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NNc1oc(C(C)C)nc1C#N	795823452	IWDDHVZAJYCCCU-CABZTGNLSA-N	321.381	1.664	50	20	DDGD	
CC(C)[C@@H](NS(=O)(=O)CCCCCl)c1nncn1C	796033673	LKPCWVZTTMJSEK-SNVBAGLBSA-N	308.835	1.451	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1	793473374	FMQYFWVIKJVDMZ-TZMCWYRMSA-N	323.368	1.829	50	20	DDGD	
CSSCCNC(=O)c1ccc(N2CCOCC2)nc1	791099622	HOSXWLBSPCDNHW-UHFFFAOYSA-N	313.448	1.659	50	20	DDGD	
Cc1cnn(C)c1C=NNC(=O)COc1ccccc1[N+](=O)[O-]	794878084	XQPZPRWLFMBSQJ-UHFFFAOYSA-N	317.305	1.166	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1ccnn1CC(F)F	790044119	NHDDBERVYJVUJA-UHFFFAOYSA-N	302.672	1.349	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)Cc2cccc(C#N)c2)n1	793229672	BPYBQPJDUHHAGD-UHFFFAOYSA-N	323.356	1.748	50	20	DDGD	
CC(C)[C@H](C#N)C=NNC(=O)c1csc(N2CCOCC2)n1	1319612538	IZYGNYULMKYHOS-LLVKDONJSA-N	321.406	1.491	50	20	DDGD	
O=C(CN1CC[C@H]2OCCC[C@H]2C1)NNC(=O)c1cccs1	1319375130	QTJHPLWDVZZIQS-NWDGAFQWSA-N	323.418	1.010	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc(C#N)cc1)CC(C)C	1319605747	DDZDMSOWMBWWPQ-UHFFFAOYSA-N	302.378	1.297	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1	1318609424	NKCMAVVLXUSRKP-UHFFFAOYSA-N	316.770	1.766	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)c(C)n1C	1317760475	AAMHZBXPNLVARW-UHFFFAOYSA-N	315.377	1.319	50	20	DDGD	
CNC(=O)NNC(=O)[C@@H]1CCCCN1Cc1cccc(C)c1	1322943177	FLFVGCRYWUDZBK-AWEZNQCLSA-N	304.394	1.310	50	20	DDGD	
CC(C)CNCC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	1326583132	FWACSCVTOIICII-UHFFFAOYSA-N	300.746	1.937	50	20	DDGD	
CNC[C@@H](C)CNC(=O)NNC(=O)c1cccc2ccccc12	1327487598	SWWBTPZUUJFLQF-GFCCVEGCSA-N	314.389	1.639	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1ccc(O)c(F)c1	1320278574	CGLTYQAPXVHEOQ-UHFFFAOYSA-N	318.308	1.208	50	20	DDGD	
CN(CC(F)F)c1nnnn1C[C@@]1(C)C[C@@H]1Br	1334618811	YFTDUHJJTMSBQV-IMTBSYHQSA-N	310.146	1.548	50	20	DDGD	
COc1nn(C)cc1C(=O)OC[C@@]1(C)C[C@@H]1Br	1263536772	FFHVJCZTZFCWKA-GZMMTYOYSA-N	303.156	1.759	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NCCCn2cncn2)nn1	1261860017	LUTUMTVKLXYVOK-UHFFFAOYSA-N	318.385	1.082	50	20	DDGD	
C[C@]1(NC(=O)NC[C@@]2(C)C[C@@H]2Br)CCOC1=O	1346448113	PJOROLMMLOBINS-XROYCOCOSA-N	305.172	1.165	50	20	DDGD	
C[C@]1(COC(=O)c2cn(C3CC3)nn2)C[C@H]1Br	1263537760	XPISMKHLIKHUEV-MWLCHTKSSA-N	300.156	1.943	50	20	DDGD	
CCC[C@@H](CNC(=O)NNc1nncc(N)c1Cl)OCC	1348121931	CEVRGUXCFBPURC-QMMMGPOBSA-N	316.793	1.544	50	20	DDGD	
COCCn1cc(C(=O)OC[C@@]2(C)C[C@@H]2Br)cn1	1526043657	BXUFYHPDYYKMBD-CMPLNLGQSA-N	317.183	1.860	50	20	DDGD	
CC(C)CC(=O)NNC(=S)Nc1ccccc1-c1nn[nH]n1	1609092576	RAZVRJAQPADUCW-UHFFFAOYSA-N	319.394	1.230	50	20	DDGD	
Cc1nc([C@H](C)NC(=O)NNc2cccc(C(=O)O)c2F)no1	1607947726	ALDWRGAAHWVMTK-LURJTMIESA-N	323.284	1.603	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN[C@H](C(=O)O)c1ccccc1Cl	1604833272	BUWQJPJYZYQLFG-AUTRQRHGSA-N	312.753	1.512	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@H](C(=O)NNc2cccc(F)c2C(=O)O)C1	1601146844	ZWUWCMVYFARDNY-BDAKNGLRSA-N	323.324	1.259	50	20	DDGD	
C[C@@H](Oc1ccccc1C=NNC(=O)[C@@H]1CCCS1)C(=O)O	1604442759	GDGUOMIIVHTIRX-MFKMUULPSA-N	322.386	1.884	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@]2(C(=O)O)CC2(C)C)cc1	1605301486	MVLOESYSEWGQBO-MRXNPFEDSA-N	320.345	1.022	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)c1cnn2cccnc12	1608828424	FJXJBNKEPFRHFU-UHFFFAOYSA-N	315.264	1.324	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NN=Cc1cc(C(=O)O)no1	1610697745	YAZLBCCMECWQSX-UHFFFAOYSA-N	322.708	1.860	50	20	DDGD	
Cc1cc(C)n([C@H](C)C(=O)NNc2ccccc2C(=O)O)n1	1610455690	NRTYTGRDBINCSI-LLVKDONJSA-N	302.334	1.902	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)N[C@H]1CCCc2c[nH]nc21	1610699925	JNUFUKQPANKHRC-LBPRGKRZSA-N	315.333	1.812	50	20	DDGD	
Cn1c(=NNC(=O)[C@@H]2C[C@H](N)[C@@H]3C[C@H]23)sc2ccccc21	1553396529	DDRUMKZEKVEYCJ-ZDCRXTMVSA-N	302.403	1.155	50	20	DDGD	
CCn1nccc1[C@@H]1OCCC[C@@H]1C=NNC(=O)c1cc[nH]n1	1552454858	RGIRNKLYVAQMJP-BXUZGUMPSA-N	316.365	1.510	50	20	DDGD	
CCOC(=O)[C@H]1CNCCN1C(=O)c1cccc(CCl)c1	1577936112	OGLKQXPCKGRURV-CYBMUJFWSA-N	310.781	1.403	50	20	DDGD	
C[C@H](Cc1ccco1)C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1589902037	UXYUIDUDGJWRSD-SECBINFHSA-N	313.321	1.177	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)Nc1ccccc1C(F)F	1580735933	IKIXKDDPYMPNSA-UHFFFAOYSA-N	312.320	1.777	50	20	DDGD	
C[C@@H](CC(=O)NNc1cccc(-c2nn[nH]n2)c1)n1ccnc1	1589793041	NWJKPUZRKWILPI-JTQLQIEISA-N	312.337	1.158	50	20	DDGD	
CC(C)OCC(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843361424	GAAJRNDXTJYZCS-NSHDSACASA-N	306.765	1.149	50	20	DDGD	
O=C(O)C1(C(=O)NNc2cccc3c2CCCC3)CCOCC1	1594867424	MVBYQFAXEILAOA-UHFFFAOYSA-N	318.373	1.890	50	20	DDGD	
CCc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)s1	1590886165	UYMZINJKWFTSJW-UHFFFAOYSA-N	315.362	1.643	50	20	DDGD	
C[C@@H]1CCNC[C@H]1NC(=O)NNc1cccc(C(=O)O)c1F	1594437224	ADHZCUTVUFXELB-LDYMZIIASA-N	310.329	1.148	50	20	DDGD	
O=C(NN=C1CCc2cccc(C(=O)O)c21)c1ccc(O)nc1	1776094138	COPGYSYNNLGXHE-UHFFFAOYSA-N	311.297	1.566	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc(Cn2cccn2)cc1	11678279	XDZUTICKIXMNRH-UHFFFAOYSA-N	300.362	1.739	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NC[C@@H]2CCCS2)cc1	158940103	FQGSOQYZCXUBSV-LBPRGKRZSA-N	304.375	1.398	50	20	DDGD	
COC1(C(=O)NNc2ccccc2C(F)(F)F)CCNCC1	151760985	AQRUFECKWOHGPI-UHFFFAOYSA-N	317.311	1.917	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)NCCC2CCC2)cc1	152077746	KTTZOANBKZESRO-UHFFFAOYSA-N	316.361	1.458	50	20	DDGD	
Cn1c(=O)[nH]c2ccc(C(=O)NNc3ccc(C#N)cc3)cc21	152778858	BRDOPHLFPMUDFJ-UHFFFAOYSA-N	307.313	1.495	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1ccc(OCC2CC2)nc1	157160690	KRLRKRVSZUFKNM-UHFFFAOYSA-N	320.393	1.747	50	20	DDGD	
C[C@@H](NS(=O)(=O)c1ccc(CCCl)cc1)C(=O)N(C)C	36900419	WGJLQHVFYPZVBJ-SNVBAGLBSA-N	318.826	1.223	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1	8273525	SLOUCNDMTNZFOT-UHFFFAOYSA-N	309.281	1.362	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2CCc3cc(F)ccc32)n1	56840386	XLHBRPIYKXMRBL-LBPRGKRZSA-N	317.324	1.938	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@@H]1CC1(Cl)Cl	108974901	JPCZFIMMJWWNCS-QMMMGPOBSA-N	305.136	1.709	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CCc1nc2cccnc2[nH]1	111545761	QXWMESYFKDGQOC-UHFFFAOYSA-N	305.338	1.446	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccc(O)c(Cl)c2)no1	114777946	GUNDFSIJPSDFAD-UHFFFAOYSA-N	310.697	1.809	50	20	DDGD	
CCC(CC)[C@@H](C(=O)NNc1cccnn1)N1CCOCC1	173828942	HZGJMCUYEXUXLJ-AWEZNQCLSA-N	307.398	1.057	50	20	DDGD	
O=C(NNc1ccccc1F)c1cccnc1N1CCOCC1	178895121	DQGCIXGMQWQWLJ-UHFFFAOYSA-N	316.336	1.814	50	20	DDGD	
CCN(CC)CC(=O)NNC(=S)Nc1cccc(C)c1C	63697363	DPPYGEVITIQVAF-UHFFFAOYSA-N	308.451	1.963	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cnn(C)c2)nc2ccccc12	117682470	XVUJDAISIIZPOG-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1ccc(OCC#N)cc1	171471337	SXVQRHQGXSOVBF-UHFFFAOYSA-N	318.377	1.856	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1nc2ccccc2s1	119581135	DNCNIJSTXMBAQG-UHFFFAOYSA-N	312.354	1.695	50	20	DDGD	
CCCc1[nH]ncc1C(=O)NNC(=O)c1cccc(N(C)C)c1	119877197	RYZRIRDBNKKQDE-UHFFFAOYSA-N	315.377	1.503	50	20	DDGD	
COc1ccc(C(=O)CCC(=O)NNc2cc(C)ncn2)cc1	172280597	OOOGKFYCRIMJIJ-UHFFFAOYSA-N	314.345	1.900	50	20	DDGD	
COCCCNC(=O)NNC(=O)COc1c(C)cc(C)cc1C	65208220	HUEHOPGOZHXGTM-UHFFFAOYSA-N	323.393	1.358	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)COc1cc(C)ccc1C	173059730	NEBBZVFVUBWTIA-UHFFFAOYSA-N	320.389	1.812	50	20	DDGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NC[C@H](C)O)c1C	127071424	RJYNGYYAMGRWCM-LCNIPZBYSA-N	319.405	1.716	50	20	DDGD	
CN(C)c1cccc(C(=O)NNc2ncccc2[N+](=O)[O-])c1	120068489	CUMFRHBOJXGCMD-UHFFFAOYSA-N	301.306	1.813	50	20	DDGD	
CCC(CC)n1nccc1C(=O)NNc1nccc(OC)n1	121818635	NWPQNRUHYXHIEY-UHFFFAOYSA-N	304.354	1.800	50	20	DDGD	
CS(=O)(=O)NC[C@H]1CCCN(/C(=C/C#N)c2ccccc2)C1	79316299	XLPFQIIEZPYANE-BRYYZUPOSA-N	319.430	1.812	50	20	DDGD	
O=C(CCc1ccccn1)NNC(=O)COCc1ccccc1	78192844	UDBFUQMEPYIKTM-UHFFFAOYSA-N	313.357	1.378	50	20	DDGD	
CN(C)N(C(=O)c1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1	73491553	BTFLHWIHENZACO-SECBINFHSA-N	318.345	1.071	50	20	DDGD	
COc1cccc(CO[C@@H](C)C(=O)NNc2ncc(F)cn2)c1	123239260	FRZVJUSUKODHHH-JTQLQIEISA-N	320.324	1.673	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)c1cc2ccccc2cc1O	129261406	YWDLMLLKERVOSE-UHFFFAOYSA-N	316.357	1.979	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C(C)(C)C)n1nnc(-c2ccccc2)n1	79583917	ZDLFCULVFXMBOO-JTQLQIEISA-N	316.365	1.095	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@H]1C(N)=O	185800532	YUBLHWRHAZDHPA-PUCGFSNJSA-N	313.357	1.459	50	20	DDGD	
CN1CC[C@@H](C(=O)NNC(=O)CCCc2ccccc2)CC1=O	77345243	MIPIIKPHDZAFPW-CQSZACIVSA-N	317.389	1.025	50	20	DDGD	
CN(C)CC1(CNC(=O)NNC(=O)OC(C)(C)C)CCCC1	185183684	JBRAIRBBIKWVQU-UHFFFAOYSA-N	314.430	1.847	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(Cn2cccn2)cc1	132190789	XCSMXAOJMNGAII-UHFFFAOYSA-N	324.344	1.487	50	20	DDGD	
O=C(NNc1ccncc1)c1ccnc(O[C@@H]2CCOC2)c1	184560104	ZYYGYMBOXOMCEW-CYBMUJFWSA-N	300.318	1.401	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](C)CCc2cccn2C)o1	84161577	IHICWQHGGKLTBO-NSHDSACASA-N	318.377	1.892	50	20	DDGD	
O=C(CC1(O)CCCCC1)NNc1nc2ccccc2c(=O)[nH]1	89506223	NWQNMHKYVKBZGO-UHFFFAOYSA-N	316.361	1.452	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2ccccc2C(C)C)ncn1	190142028	ZUHSONJDGTVYAX-UHFFFAOYSA-N	313.361	1.990	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC(C)(C)c1ccc(CC)cc1	80214637	DRLYWAJESRTGGY-UHFFFAOYSA-N	321.421	1.894	50	20	DDGD	
O=C(CSCC(F)(F)F)NNc1nc2ccccn2n1	191930341	YJJDNQMRHUEGQC-UHFFFAOYSA-N	305.285	1.468	50	20	DDGD	
C=CCSCCNC(=O)NNC(=O)c1cccc(N(C)C)c1	194634610	MDIGTHVFHAYYOW-UHFFFAOYSA-N	322.434	1.616	50	20	DDGD	
O=C(NN=Cc1cc([N+](=O)[O-])ccc1O)c1ccccc1O	254795103	MQOPAZCGNSWGJQ-UHFFFAOYSA-N	301.258	1.770	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1ccccc1OCCOC	267548032	BXFNYPRIVCQHTL-SDNWHVSQSA-N	305.330	1.808	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CN1CCC(C)CC1	268554428	OCKKKDVWFCDEFV-UHFFFAOYSA-N	305.378	1.188	50	20	DDGD	
CC[C@@H](C(=O)NNc1cc(Cl)nc(C)n1)N1CCCC1=O	267107038	QFGBUKDTLKCYGD-VIFPVBQESA-N	311.773	1.283	50	20	DDGD	
CSc1nc(C2CC2)nc(C)c1C(=O)NNC(=O)NC(C)C	266849375	OXFWPLZVCKEMDZ-UHFFFAOYSA-N	323.422	1.737	50	20	DDGD	
CN(NC(=O)NCCN1CCOC(C)(C)C1)c1ccccc1	267953675	SAFFJMWMCPVVKA-UHFFFAOYSA-N	306.410	1.448	50	20	DDGD	
CS[C@@H](C)CNC(=O)NNC(=O)COc1ccccc1F	269796196	IASWCGZMRCJOAQ-VIFPVBQESA-N	315.370	1.286	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@]12CCOC2)c1ccc2ccccc2n1	368106298	CZGQQPJTAOZZJR-PXAZEXFGSA-N	311.341	1.422	50	20	DDGD	
CCOc1cccc(C(=O)NNC(=S)NCCSC)c1	271260682	KPRHCILVIKYWMV-UHFFFAOYSA-N	313.448	1.557	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CC[C@H]3OCCC[C@@H]3C2)n1	366288455	UXJIEXCESIGSMI-TZMCWYRMSA-N	318.377	1.245	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C[C@@](C)(O)C2CC2)cc1	270138237	QWQCSGCWVHULBA-MRXNPFEDSA-N	306.362	1.072	50	20	DDGD	
C[C@@H](O)C[C@H]1CCCCN1CC(=O)NNC(=O)c1ccccc1	279705930	HMBRTZZRIXTXQK-UKRRQHHQSA-N	319.405	1.073	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)C1CC1	273260432	PDNRNRZSWXWKIS-AAXQSMANSA-N	311.382	1.403	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCCOCCc1ccccc1	271354427	LYNREJJPDOXAPJ-UHFFFAOYSA-N	307.394	1.718	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cc(N2CCCC2=O)ccc1Cl	270479837	PBTHWAQFNYMOGW-UHFFFAOYSA-N	321.764	1.638	50	20	DDGD	
NC(=O)COc1ccc(OS(=O)(=O)CCCCCl)cc1	275752721	JECVHZNSXWPGRP-UHFFFAOYSA-N	321.782	1.278	50	20	DDGD	
Cc1ccn(C[C@](C)(O)C(=O)NNc2cccc(F)c2)c(=O)c1	279791119	ITFAREAZQBXBSN-INIZCTEOSA-N	319.336	1.190	50	20	DDGD	
Cc1cccc2c1CN(C(=O)NNC(=O)Cc1cccnc1)CC2	277750174	WCTUPRJHEPHOBE-UHFFFAOYSA-N	324.384	1.732	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)n1	272520449	LATXMLBDOWPGMR-SECBINFHSA-N	310.354	1.447	50	20	DDGD	
Cn1ccnc(NNC(=O)C2CCC(C(F)(F)F)CC2)c1=O	277947287	ZTTFGYKDYGNMGX-UHFFFAOYSA-N	318.299	1.592	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@H]2C[C@]23CCc2ccccc23)n1	377877185	AGZGFTCGEPVYPL-KDOFPFPSSA-N	323.400	1.890	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CCc1cncn1C	281083470	GECSQZJDWUTXLZ-UHFFFAOYSA-N	301.350	1.514	50	20	DDGD	
CN1CCOc2ccc(C(=O)NNc3nc4ccccn4n3)cc21	377251176	TYYNGDIQPMRIKA-UHFFFAOYSA-N	324.344	1.315	50	20	DDGD	
COCCN(C)NC(=O)Cc1csc(-c2cccnc2)n1	288531330	OGWWUCHNWFVSSN-UHFFFAOYSA-N	306.391	1.357	50	20	DDGD	
CC(C)c1ccoc1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	283781945	CUYKSGGWBASIDV-LLVKDONJSA-N	314.407	1.509	50	20	DDGD	
CCc1cc(C)cc(CC)c1NC(=O)C(=O)NNC(=O)OC	281176800	ZDNSTXBUNLWRMF-UHFFFAOYSA-N	307.350	1.446	50	20	DDGD	
COC1(CC(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)CCC1	282834205	PAVFPRVCPOSWKW-UHFFFAOYSA-N	319.361	1.040	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@](C)(OC)c1ccccc1F	281302319	RNNUFKVBYOQWCW-CQSZACIVSA-N	311.382	1.369	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@](C)(CC)OC)cc1OC	281148820	OHPOESDGSKERAX-MRXNPFEDSA-N	324.377	1.670	50	20	DDGD	
C[C@@](O)(CC(=O)NNC(=O)Nc1cc(F)cc(F)c1)C1CC1	283816701	YMFGIMNQAVOXIF-CQSZACIVSA-N	313.304	1.669	50	20	DDGD	
CCc1ccc(O)c(C(=O)NNC(=O)N=c2cc[nH]cc2)c1	802025944	QNQSJNMKDLEUNH-UHFFFAOYSA-N	300.318	1.238	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc(C(C)(C)O)cc1	807971564	AFMRUXQJENKCLB-UHFFFAOYSA-N	319.405	1.669	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNc1cccc(C(=O)OC)c1	290494713	OTGFOQLNLQIDKR-SNVBAGLBSA-N	308.334	1.506	50	20	DDGD	
CN(C)Cc1cccc(CNC(=O)NNc2ncncc2F)c1	292331250	CEOKNRNERMMPBF-UHFFFAOYSA-N	318.356	1.504	50	20	DDGD	
Cc1ncc2n1CC[C@H](C(=O)NNc1nccnc1Cl)C2	291303224	NLFRLVKKMAASBJ-VIFPVBQESA-N	306.757	1.341	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC(F)(F)[C@@H](CO)C1	293052416	FWRQVPZUFMVMKB-FFXRNRBCSA-N	322.311	1.775	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1cnc(-c2ncccn2)s1	804773180	GDUNXWGMXQYNCJ-UHFFFAOYSA-N	316.321	1.891	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1)C1CC1	291162200	JEXQDWXSOORMQI-JTQLQIEISA-N	311.407	1.426	50	20	DDGD	
CCCSCC(=O)NNC(=O)CNc1ccccc1OC	298711115	HTGCADPAETUBGB-UHFFFAOYSA-N	311.407	1.398	50	20	DDGD	
C[C@H](Sc1nnnn1C1CC1)C(=O)NNc1ncccc1F	804214089	SHIJCMLEINFJLK-ZETCQYMHSA-N	323.357	1.166	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1c(O)nnc(C)c1C	805385948	BHDAPUWEAWGYEK-UHFFFAOYSA-N	317.305	1.773	50	20	DDGD	
C=CCOc1cccc(NC(=O)NNC(=O)[C@H]2CCCCO2)c1	296344283	FTYGYUPOHRZECF-CQSZACIVSA-N	319.361	1.973	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NNc2nc3ccccc3[nH]2)C1	802569851	BNHCFDKRRWKRAD-SNVBAGLBSA-N	301.350	1.265	50	20	DDGD	
CCOCCN1CCN(C(=O)NCCSSC)CC1	807226537	PDQAIBJRDODRMZ-UHFFFAOYSA-N	307.485	1.361	50	20	DDGD	
O=C(NCCCN1CCCCC1)NNc1ncc(F)cc1F	297632161	HGRZGVUQVCREQE-UHFFFAOYSA-N	313.352	1.862	50	20	DDGD	
CCOC(=O)c1cc(NC(=O)NNc2ncncc2F)cn1C	814660591	XJXHBZNVAGBSSV-UHFFFAOYSA-N	322.300	1.280	50	20	DDGD	
C[C@H](Cc1cncc2ccccc12)C(=O)NNC(=O)C(C)(C)O	813530531	SYXNKGDHUFCDMR-LLVKDONJSA-N	315.373	1.332	50	20	DDGD	
C[C@@](O)(C(=O)NNc1ccccc1S(C)(=O)=O)C1CCC1	813487768	LUJATSXXIZOCSM-AWEZNQCLSA-N	312.391	1.084	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=C1CCOc2c(F)cccc21	815002844	UAELJJGNJMDCDH-UHFFFAOYSA-N	300.293	1.951	50	20	DDGD	
COc1cc(C(C)=NNC(=O)Cn2cnc3ccccc32)on1	814729391	ONPHXRIMTKHUJP-UHFFFAOYSA-N	313.317	1.573	50	20	DDGD	
CCCNC(=O)NNC(=O)C(C)(C)c1ccc2c(c1)OCO2	814632652	UIQVZRPHYQMQSI-UHFFFAOYSA-N	307.350	1.433	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	812447138	PASIUXCQMJMLPP-WDEREUQCSA-N	324.377	1.383	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1ncc(C#N)cc1C	815820480	OEWDGQOUGGSXDA-UHFFFAOYSA-N	308.341	1.574	50	20	DDGD	
O=C(NNc1ncncc1F)c1cccn1Cc1ccncc1	817076958	BCXAQNLTMOEGFC-UHFFFAOYSA-N	312.308	1.617	50	20	DDGD	
C[C@@H](CBr)COC(=O)Cc1nc(C2CC2)nn1C	829913999	SOODHDSFWTYRFY-QMMMGPOBSA-N	316.199	1.809	50	20	DDGD	
CCS[C@H]1CCCC[C@@H]1NCC(=O)NNC(=O)C(C)C	828970289	UQQJHKLRFSEYAN-RYUDHWBXSA-N	301.456	1.444	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cnc(C)nc1N)c1ccccc1	827185831	YFJDWMHJVDCPRZ-GFCCVEGCSA-N	313.361	1.322	50	20	DDGD	
Cc1cccc(N2C[C@@H](C(=O)NN(C)[C@H](C)CO)CC2=O)c1C	823982539	AIBWJXXRLCOMJN-OCCSQVGLSA-N	319.405	1.000	50	20	DDGD	
Cn1c(=NNC(=O)[C@@H]2C[C@@]23CCNC3)sc2ccccc21	826619281	YKLXDWLYBXQYRT-ZUZCIYMTSA-N	302.403	1.171	50	20	DDGD	
CCN(CCO)NC(=O)CCc1cccc(OC(F)F)c1	823893319	FJJZLNWFLJVZHO-UHFFFAOYSA-N	302.321	1.566	50	20	DDGD	
CSSCCNC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F	822783565	KOISLEXASZWNJO-BQBZGAKWSA-N	316.370	1.428	50	20	DDGD	
N#C/C(=C\c1ccc(-c2nn[nH]n2)o1)c1nnc2n1CCCCC2	822795603	DAIQHXMDSKVADO-CSKARUKUSA-N	322.332	1.842	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H]2Cc3cccc(C)c3O2)n1	824845356	KBYYCRFZMSZTEQ-LLVKDONJSA-N	300.318	1.240	50	20	DDGD	
COC(=O)N(C)NC(=O)c1c[nH]nc1-c1ccc2c(c1)OCO2	497149112	ISLLKMSAFQOUJY-UHFFFAOYSA-N	318.289	1.148	50	20	DDGD	
C#CCN(CC(=O)NNC(=O)c1cccc(Cl)c1)C1CC1	491751128	UBONAKDAFOILDH-UHFFFAOYSA-N	305.765	1.199	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C	493930741	YPPUMFSTNNBYQK-JTQLQIEISA-N	317.386	1.703	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1c[nH]nc1-c1ccc(Cl)s1	823934956	LMVLHETWXCASQR-SSDOTTSWSA-N	314.798	1.749	50	20	DDGD	
COc1ncccc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	826222168	LWPCZVHJSSCJBZ-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
Cc1nn(C)cc1CC(=O)NNC(=O)CCc1ccccc1	822935117	MZVCUDYHCGACRM-UHFFFAOYSA-N	300.362	1.051	50	20	DDGD	
N#Cc1ccc(NNC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1	826386081	OCKWGUYPSZUQRV-UHFFFAOYSA-N	320.316	1.887	50	20	DDGD	
C[C@@]1(C(=O)NNc2cccc(C(F)(F)F)c2)CCNC1=O	821142510	DZAWTUHNAQRORO-GFCCVEGCSA-N	301.268	1.675	50	20	DDGD	
CC(C)Oc1ccc([C@H](C)NCC(=O)NNC(=O)C(C)C)cc1	828639183	RWHBTLJEVNQPIA-ZDUSSCGKSA-N	321.421	1.928	50	20	DDGD	
C[C@]1(C(=O)N2CCOC3(CCOCC3)C2)C[C@H]1Br	907058168	VNKOSEAPDJEJCP-PWSUYJOCSA-N	318.211	1.568	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1nccnc1Cl	908197564	WWULUPRKZOHVLN-UHFFFAOYSA-N	304.741	1.944	50	20	DDGD	
O=C(NCc1cc2c(s1)CCCC2)c1ccc(B(O)O)cc1	584931800	IJRWUTJMXOZUMA-UHFFFAOYSA-N	315.203	1.237	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)N[C@@H]1CCC[C@H](C2CC2)C1	824859042	IJJXQAXXIBUAQZ-LSDHHAIUSA-N	316.405	1.923	50	20	DDGD	
COc1cc(C(=O)NN(C)C[C@H](C)O)sc1Br	824615104	XAHLKSHESKIGJP-LURJTMIESA-N	323.212	1.477	50	20	DDGD	
C[C@]1(C(=O)N2CCN(CC3CC3)CC2)C[C@@H]1Br	906332845	HAABHKLKNOSVPO-AAEUAGOBSA-N	301.228	1.714	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N(C)C[C@H](C)C(=O)O)cc(C#N)n1C	738289395	PRKYWMKGJRWMEB-QWGQVVDNSA-N	314.345	1.291	50	20	DDGD	
CC[C@@H](CNCc1ccc(B(O)O)o1)Oc1cccc(F)c1	585026529	OHNIAFMMQZNIFJ-LBPRGKRZSA-N	307.130	1.046	50	20	DDGD	
CC(C)OC(=O)[C@H](C)CNC(=O)/C(C#N)=C\c1cnn(C)c1	491174681	IMQMODZAPSHCBC-CGGVXGFASA-N	304.350	1.031	50	20	DDGD	
CC[C@@H](NC(=O)NNc1ccc(-n2ccnc2)nn1)C(F)F	836510168	BZXLWYDCQVJDQM-MRVPVSSYSA-N	311.296	1.332	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@H]1CC[C@@H](C)O1	838743944	HOSKCUPZICZPNX-GHMZBOCLSA-N	307.350	1.207	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)C(=O)Nc1ccnc(C)n1	839547047	PQJBRHJGTKCMSF-UHFFFAOYSA-N	313.361	1.738	50	20	DDGD	
CCc1nnc(C(=O)NNc2ccc(C(F)(F)F)nn2)s1	901201991	ZBXKVYAILNISTF-UHFFFAOYSA-N	318.284	1.666	50	20	DDGD	
CC(C)[C@H](CNC(=O)c1cccc(B(O)O)c1)c1ccccc1	584927872	BZAWJWVNUJRCRL-KRWDZBQOSA-N	311.190	1.536	50	20	DDGD	
COc1ccccc1C(=O)NN[C@H](C(=O)O)c1ccccc1F	832589848	VCAZGWQPHHONLJ-AWEZNQCLSA-N	318.304	1.895	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)C2CCCC2)nn1-c1ccccc1	731573945	BEYFNBWVEVUKHV-UHFFFAOYSA-N	313.361	1.527	50	20	DDGD	
O=C(CN1CC2(CCC2)c2c(F)cccc21)NNC(=O)C1CC1	733194835	QKFBWMSNIHGIKF-UHFFFAOYSA-N	317.364	1.625	50	20	DDGD	
CCCC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)C1CCCC1	834944311	OLGRNUAQGJILNS-LBPRGKRZSA-N	315.439	1.819	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)c1C	905099442	WXBCXQSOHDNVEX-ZLKJLUDKSA-N	317.414	1.846	50	20	DDGD	
C=C(CC)CNC(=O)NNC(=O)Cc1cn2ccccc2n1	836653668	QOUSUQBVKCXROY-UHFFFAOYSA-N	301.350	1.173	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCC[C@H]1C1CCCCC1	584931597	AWZSPFHLDHAZOP-INIZCTEOSA-N	301.195	1.551	50	20	DDGD	
OB(O)c1ccc(CNCCCCOC2CCCCCC2)o1	585019971	LPOXPMTWQUPGGB-UHFFFAOYSA-N	309.215	1.569	50	20	DDGD	
C[C@@H]1CCC[C@@H]2CCCN(C(=O)c3cc(B(O)O)ccc3F)[C@@H]12	584933234	FPZWWJSAOBNWBI-HSMVNMDESA-N	319.185	1.546	50	20	DDGD	
C[C@@H](NCc1ccccc1B(O)O)[C@H](O)c1ccc(Cl)cc1	585025199	OBEKCIFYPGEJLW-BZNIZROVSA-N	319.597	1.232	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cnn(C)c1)c1c(F)cccc1F	735510216	JIJCRSJUJWBGCZ-QMMMGPOBSA-N	323.303	1.404	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)Cc1ccsc1	732302200	SJGGDQATAWARCB-UHFFFAOYSA-N	310.400	1.837	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C[C@H](n1cccn1)C(F)(F)F	831857995	KGTIIETUXGNCDF-QMMMGPOBSA-N	307.276	1.069	50	20	DDGD	
CCc1[nH]c(C(=O)NNC(=O)OC(C)(C)C)c(C)c1C(=O)O	830196528	MLQNPDDFYMBLGE-UHFFFAOYSA-N	311.338	1.753	50	20	DDGD	
COc1ccc(C(=O)CCCC(=O)N2CC[C@@H](B(O)O)C2)cc1	585076246	MHHVZPKALQQWRU-CYBMUJFWSA-N	319.166	1.124	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCCCN(C)C)c1ccccc1	732440676	TYYDMRGUYOQNJW-CQSZACIVSA-N	306.410	1.462	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2CCSc3c(F)cccc32)c1	585017668	HKLYCRFHJQFGTD-OAHLLOKOSA-N	317.194	1.832	50	20	DDGD	
O=C(OCCNS(=O)(=O)c1ccc(CCl)cc1)C1CC1	916225276	FSQQQHHYUBKZGF-UHFFFAOYSA-N	317.794	1.657	50	20	DDGD	
CCOc1ccc(Cl)c(NC(=O)NNC(=O)CN(C)C)c1	836722303	VFCSHDZIQMIDPH-UHFFFAOYSA-N	314.773	1.453	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NCCN(C)C2CC2)ccc1F	838468583	RFYGYRIRCAWLSN-UHFFFAOYSA-N	324.356	1.333	50	20	DDGD	
O=C(NN=Cc1cc([N+](=O)[O-])ccc1Cl)N1CCOCC1	745602065	CLUKSKVZBXZQOS-UHFFFAOYSA-N	312.713	1.624	50	20	DDGD	
O=C(NN[C@H](C(=O)O)c1cccnc1)c1ccc(Cl)cc1	833149275	LBCIOTGCDFCGNR-LBPRGKRZSA-N	305.721	1.795	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)Cn2ccccc2=O)c1	916559554	NVPKRJKURBDZBL-UHFFFAOYSA-N	316.386	1.175	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)CCc1ccccc1F	849304637	SVWYWUNKNXQHFF-SNVBAGLBSA-N	302.371	1.365	50	20	DDGD	
CCOCC(=O)NN=Cc1cc2c(cc1OC(F)F)OCO2	741764457	KFWGWVVVOMFBKP-UHFFFAOYSA-N	316.260	1.503	50	20	DDGD	
NCCOc1cccc(NC(=O)NNC(=O)CC2CCCC2)c1	841283089	QDAMSXQPMRSNED-UHFFFAOYSA-N	320.393	1.757	50	20	DDGD	
N#C[C@H]1COCCN1S(=O)(=O)c1ccc(CCCl)cc1	742318644	AQYZPPMCMVBPLQ-LBPRGKRZSA-N	314.794	1.381	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CSC2=NCCS2)c1	741846032	MITGMNGGSYKOOI-UHFFFAOYSA-N	320.399	1.155	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(F)ccc1Br	910178050	SKSRTUJBBIGPFG-SSDOTTSWSA-N	305.147	1.546	50	20	DDGD	
CCCCSCC(=O)NNC(=O)c1cccc(OC)c1O	919755820	JHSAKCYAJNQCMU-UHFFFAOYSA-N	312.391	1.695	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)CCC[C@@]2(C)NC(=O)NC2=O)c1	748787204	UADCMEDMDRMMGI-OAHLLOKOSA-N	322.340	1.346	50	20	DDGD	
CCC[C@H](C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccccn1	843972857	VQWNQVKQDQTWME-AGIUHOORSA-N	305.378	1.538	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1	840288858	OQONPTPDUXUMGC-QWHCGFSZSA-N	318.333	1.439	50	20	DDGD	
NC[C@H]1CC[C@H](NC(=O)NNC(=O)Cc2ccc(Cl)cc2)C1	842009697	GHHLDTCXQLNZTK-AAEUAGOBSA-N	324.812	1.340	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)Cc2cccnc2)CCc2ccccc21	843544610	WHFHTIRXRNIYSM-SFHVURJKSA-N	309.369	1.676	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)NC1CC2(CCC2)C1	845721988	JIBVVUBPJZZPFK-UHFFFAOYSA-N	321.352	1.868	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=C2COC(C)(C)C2)C[C@@H](C)O1	841614020	DZAMSSCOHNASCM-RWMBFGLXSA-N	311.426	1.403	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](NC(=O)NNc2cccc([N+](=O)[O-])c2C)C1	840453163	SHAMQCWEOBDZAF-AOOOYVTPSA-N	322.321	1.481	50	20	DDGD	
CCNC(=O)NNC(=O)C(CC)(CC)C(=O)OC(C)(C)C	845300209	SHJPWTRICRETAL-UHFFFAOYSA-N	301.387	1.485	50	20	DDGD	
Cc1nc2ccccc2cc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843642500	KJMYDOFMOTTYQF-DGCLKSJQSA-N	313.357	1.729	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1O)c1ccnc(F)c1	748839477	YTYMYRSZWHCETP-UHFFFAOYSA-N	309.684	1.655	50	20	DDGD	
COCCCCC(=O)NNC(=O)c1ccc(OC)c(OC)c1	746762526	UPZLLRLEMXHKDS-UHFFFAOYSA-N	310.350	1.282	50	20	DDGD	
CCN1CCC[C@@H](NC(=O)[C@H](Br)C(C)(C)C)C1=O	928870480	SBCLRCZCJBZRPH-ZJUUUORDSA-N	319.243	1.923	50	20	DDGD	
C[C@H]1CCC[C@@H](C(=O)OCC(=O)NNC(=O)c2cccs2)C1	745153343	KNFAOGJJKRJCDG-WDEREUQCSA-N	324.402	1.879	50	20	DDGD	
COc1c(F)ccc(F)c1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843651650	FBHIFHSSFPFTKE-HTQZYQBOSA-N	314.288	1.159	50	20	DDGD	
COC[C@@H](C)NC(=S)NNC(=O)Nc1ccc(Cl)cc1	754361513	HYZCILMVYDYOPW-MRVPVSSYSA-N	316.814	1.876	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1cn2ccccc2n1	755182950	HQCNOVQTCZLHHU-UHFFFAOYSA-N	322.250	1.900	50	20	DDGD	
CC1=NO[C@H](C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)C1	854196136	QWXZADYNAIKNAT-PCPABOIYSA-N	305.378	1.515	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cnc(C2CC2)s1)C1CC1	855100367	AEKQWTSDRFPAFI-ZETCQYMHSA-N	310.448	1.928	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC(C)(C)[C@@H]1c1ccncc1	854041280	BHRHENGRQQLIHG-FZMZJTMJSA-N	304.394	1.410	50	20	DDGD	
COc1cc(C)c(C=NNC(=O)c2cnccn2)cc1OC	751527103	QKASIDJZFGZPGN-UHFFFAOYSA-N	300.318	1.566	50	20	DDGD	
O=C(NNC(=O)c1cnc(Cc2ccccc2)s1)NC1CC1	755239009	WTENLDCOLDNZKW-UHFFFAOYSA-N	316.386	1.840	50	20	DDGD	
CNC(=S)N(C)NC(=O)Cc1c[nH]c2cccc(OC)c12	854923081	YVCYWVFBLHALFQ-UHFFFAOYSA-N	306.391	1.186	50	20	DDGD	
COc1cccc([C@H](O)C(=O)NNC(=O)OCC(F)(F)F)c1	856021947	ODFCHZHZPJVNNP-VIFPVBQESA-N	322.239	1.048	50	20	DDGD	
COc1ccccc1NCC(=O)NNc1ncc(F)cc1F	857533394	WYRUZYPCXJKXFI-UHFFFAOYSA-N	308.288	1.924	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Nc2ccc(C)nc2)c1	757734828	WTLWQYJXBPOKPY-UHFFFAOYSA-N	314.345	1.930	50	20	DDGD	
CCCOc1ccc(C(=O)NN=Cc2cnc[nH]2)cc1OC	755566087	LMZGIWMHTCRHQI-UHFFFAOYSA-N	302.334	1.971	50	20	DDGD	
COCc1csc(CNC(=O)NNC(=O)c2ccc(C)o2)c1	852568502	HFUIEBWPCBONME-UHFFFAOYSA-N	323.374	1.940	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1c(C)nn(C)c1C	920376531	VCNNPOWETAUSEY-UHFFFAOYSA-N	300.362	1.738	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CC23CCC3)cc1C	759794932	VYSQAKKAEMEPRQ-ZDUSSCGKSA-N	315.373	1.580	50	20	DDGD	
CCN1C[C@H](C(=O)NC[C@@]2(C)C[C@H]2Br)CC1=O	857398970	PUOMCZKNCRBKNO-KBVBSXBZSA-N	303.200	1.145	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@@H]1CCO[C@H](C2CC2)C1	856887453	ZTMYOVVNBXBHDC-MNOVXSKESA-N	311.773	1.714	50	20	DDGD	
C[C@@H]1C[C@H](CCNC(=O)NNC(=O)c2cccc(F)n2)CCO1	852251639	YQAJPYCJHCUGNG-GHMZBOCLSA-N	324.356	1.370	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1	858907370	MUGXBTIEAXTJDX-ZDUSSCGKSA-N	324.812	1.607	50	20	DDGD	
CCc1c(C(=O)NNc2ccc(C(F)(F)F)nn2)cnn1C	755182918	QJIRUAJMSQRZDA-UHFFFAOYSA-N	314.271	1.548	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2cccc(F)n2)[C@@H]2CCCC[C@H]2N1	854443087	NAXCKQXSMIPPQR-GARJFASQSA-N	306.341	1.359	50	20	DDGD	
N#Cc1ccc(Br)c(NNC(=O)C2(O)CCC2)c1	855617150	CYHZWUHCIQCCDZ-UHFFFAOYSA-N	310.151	1.679	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)/C=C(/C)c1cccs1	857712943	WQHRBJCADMWPKJ-KTKRTIGZSA-N	323.418	1.604	50	20	DDGD	
C[C@H]1CC/C(=C/C(=O)NNC(=O)COc2ccccc2O)C1	753609053	RZYVKJKGRZFQRZ-AWPPVZKDSA-N	304.346	1.665	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(Br)oc1C	854927259	APAQAQXTXIMSOX-UHFFFAOYSA-N	306.185	1.431	50	20	DDGD	
CC(C)(C)[C@@H](C(=O)O)C(=O)NNc1ncnc2ccsc12	852948881	NSHYMJREGBHKGM-MRVPVSSYSA-N	308.363	1.881	50	20	DDGD	
COC(=O)N(C)N=C(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	853343649	MSVZDLXVODOADZ-NSHDSACASA-N	315.370	1.696	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H]1CCCN(C(=O)[C@H](C)CC)C1	751368944	MILSGVDXEOXMDR-VXGBXAGGSA-N	312.414	1.012	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=C1C[C@@H](C)N(C2CC2)C1	753955891	RIEQEXFQTKKHOS-ZIAGYGMSSA-N	306.454	1.837	50	20	DDGD	
C[C@H]1CCc2c(F)cccc2C1=NNC(=O)[C@H]1CCC(=O)N1	863149268	WFAXLYSQXKZTBI-TVQRCGJNSA-N	303.337	1.507	50	20	DDGD	
C[C@H](Oc1ccccn1)C(=O)NNCC(F)(F)C(F)(F)F	863101916	NAAPHGAJZCBUST-ZETCQYMHSA-N	313.226	1.667	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1c(C)[nH]c(C(=O)OCC)c1C	768411949	DCNDBGKSKVVLPA-UHFFFAOYSA-N	310.354	1.114	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)[C@@H]1CCn2cncc2C1	764581186	NAKSBZQZRRFXNV-SNVBAGLBSA-N	324.344	1.238	50	20	DDGD	
CN(C)c1ccc([C@@H]2C[C@H]2C(=O)NNc2ncc(F)cn2)cc1	760914450	DXTFSBCXBSOYHM-UONOGXRCSA-N	315.352	1.929	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)C(=O)c1ccc(Cl)s1	760788596	SUYQNCRXMZSDBX-UHFFFAOYSA-N	324.745	1.751	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)[C@@H]1CC12CCC2	760439298	BUDZKUGSCRQTCQ-JTQLQIEISA-N	311.382	1.239	50	20	DDGD	
COC(=O)c1cnn(CC(=O)NNc2ccc(C(C)C)cc2)c1	861928002	VJBKLFSCCLHNGA-UHFFFAOYSA-N	316.361	1.936	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CN(C)C2CCC2)cc1	863861404	VGHIRFVMPZJNIA-UHFFFAOYSA-N	319.405	1.260	50	20	DDGD	
CC(C)(C)OC(=O)NC1(C(=O)NNc2ncc(F)cn2)CC1	760908697	REOBKNAJHQJESI-UHFFFAOYSA-N	311.317	1.116	50	20	DDGD	
CN(C)C1(C(=O)NNC(=O)c2cccc3ncccc23)CCC1	763044083	VVEMYRRWHGEOHM-UHFFFAOYSA-N	312.373	1.480	50	20	DDGD	
C[C@H](C(=O)NNc1ncc(Cl)cc1Cl)[C@H]1CCC(=O)N1	860937032	QEWGAKMPUGIDKX-IMTBSYHQSA-N	317.176	1.746	50	20	DDGD	
C[C@@H](NNC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)C(F)(F)F	862307786	PTOPLFKWSWESIS-HQJQHLMTSA-N	319.258	1.890	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)NCCN1CC[C@H](O)C1	863829056	AQPOMVGDPWXFEL-QWHCGFSZSA-N	318.508	1.883	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cccnc2)c2ccccc2c1=O	760052350	REMMTXPROGMCBK-UHFFFAOYSA-N	322.324	1.008	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)CCc2ccccc2)n(C)n1	874265410	WCFSFBIUBBIMQT-UHFFFAOYSA-N	300.362	1.376	50	20	DDGD	
COCC(=O)NN=C(C)c1cnn(-c2ccc(F)cc2)c1C	761821459	IMVIHOFYYFJXEB-UHFFFAOYSA-N	304.325	1.806	50	20	DDGD	
CCNC(=O)N(C)N=Cc1c(C)nn(C)c1OCC(F)(F)F	769592171	AJXHIRPIHFAUNH-UHFFFAOYSA-N	321.303	1.665	50	20	DDGD	
C=C(C)[C@H](CC(=O)NNC(=S)Nc1ccccn1)OCC	874955639	CNWQGPDNHYUQBI-NSHDSACASA-N	308.407	1.771	50	20	DDGD	
CCN(CC)C(=O)Nc1ccc(C(C)=NNC(=O)CO)cc1	776779301	FYOZEXJKNULJEP-UHFFFAOYSA-N	306.366	1.393	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H](C(=O)OC(C)(C)C)C(C)C	875705431	UXJTYEKZUWOHRH-SNVBAGLBSA-N	317.386	1.513	50	20	DDGD	
CCC(C)(C)NC(=S)NNC(=O)Cc1cn2ccccc2n1	774190256	ARACGVYJTXEJIY-UHFFFAOYSA-N	319.434	1.561	50	20	DDGD	
O=C(NN=C1CCCS(=O)(=O)C1)c1nc2ccccc2s1	872438410	SWIXRTZVLXIHPE-UHFFFAOYSA-N	323.399	1.591	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNC(=O)CCc1ccccc1)C(C)C	874265449	WXUSVKZKZBFDPC-HNNXBMFYSA-N	320.389	1.602	50	20	DDGD	
Cn1c(C(=O)NNC(=O)c2cc3c(s2)CCC3)cnc1Cl	873792443	HXIMAQBBONXJPC-UHFFFAOYSA-N	324.793	1.699	50	20	DDGD	
Cc1nnc(CNC(=O)NNC(=O)C(C)(C)c2ccccc2)o1	1116011218	RCQRYZTUVJDNDM-UHFFFAOYSA-N	317.349	1.186	50	20	DDGD	
COc1cc(F)cc(OC)c1C=NNC(=O)[C@@H]1CCO[C@@H]1C	872383831	JBNUUWAONKLJTR-MWLCHTKSSA-N	310.325	1.718	50	20	DDGD	
O=C(COCc1ccncc1)NNC(=O)c1cccc(Cl)c1	1117332096	CHJXOQKHFUUPBJ-UHFFFAOYSA-N	319.748	1.713	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CN[C@@H](C)CC#N)cc1C	878817887	JUGBNPFHTAEPIK-JTQLQIEISA-N	308.407	1.272	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(-c2ccccc2)nn1	878915170	PTUXPHXBLCGVPC-UHFFFAOYSA-N	301.350	1.758	50	20	DDGD	
COc1ccc(C(C)(C)C)cc1NC(=O)NNC(=O)CN(C)C	775432530	JVPBPTUWNKQNAZ-UHFFFAOYSA-N	322.409	1.707	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)c3cccc4[nH]ccc34)nc21	770981751	BQKVSOPCRZCXSB-UHFFFAOYSA-N	323.316	1.307	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H]2CC23CCC3)nc1C	778427416	XFBMEWWLYXUYCS-NSHDSACASA-N	304.350	1.595	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNc1ccc(Br)nc1	771383984	LNMRFTJPOJITPE-APPZFPTMSA-N	300.156	1.712	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cccc(O)c2O)cc1	776326935	KXNSSBPUVFUWOU-UHFFFAOYSA-N	315.329	1.279	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CSc2ccccc21	772141271	XEMQPODGSOHIGI-GXSJLCMTSA-N	322.386	1.365	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H](C)NC(=O)CC(C)(C)C	772890298	ISQSVTNXDXHFBQ-NSHDSACASA-N	321.425	1.984	50	20	DDGD	
O=C(NNC(=O)c1ccc2ccccc2c1)N[C@H](CO)C1CC1	778612202	VABAZIOEFDWGJT-OAHLLOKOSA-N	313.357	1.555	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(Cl)cc(C(=O)OC)c1	770034923	SKMBDTXQZJTZHR-UHFFFAOYSA-N	315.713	1.909	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc(Br)o1	883059882	ONNAVFPDCYSTBW-UHFFFAOYSA-N	317.139	1.230	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2cc(C(F)(F)F)ccc2F)C1=O	773480956	GCYZRFJIAUKFKL-QMMMGPOBSA-N	319.258	1.766	50	20	DDGD	
CCC[C@@]1(COC)CCCN1S(=O)(=O)CBr	774930789	WEMJXUDHSQXMSF-JTQLQIEISA-N	314.245	1.950	50	20	DDGD	
CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)c1cccnn1	882059454	XGGRKGHHWUVVDH-AWEZNQCLSA-N	314.345	1.404	50	20	DDGD	
CC(C)(C#N)c1ccc(C(=O)NNC(=O)C2CCOCC2)cc1	883069325	DXEOGZRASZBXHQ-UHFFFAOYSA-N	315.373	1.675	50	20	DDGD	
C[C@@H]([C@H](C)C(=O)NNc1c(F)cc(F)cc1F)S(C)(=O)=O	885151473	FETOZWXORJUMNO-BQBZGAKWSA-N	324.324	1.616	50	20	DDGD	
CC[C@@H]1C[C@H](CC(=O)NNC(=S)NC(C)(C)C)CCO1	781674300	JZWOXEIVIDTVFK-GHMZBOCLSA-N	301.456	1.876	50	20	DDGD	
CSC1(CNS(=O)(=O)CBr)CCOCC1	782454348	ODPCMQZJLXTYOT-UHFFFAOYSA-N	318.258	1.170	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](c2cccc(C)c2)C1	784480957	WDOXOAIWAHARPF-DZGCQCFKSA-N	303.406	1.730	50	20	DDGD	
C[C@@H]1CCC[C@H](CNC(=O)NNC(=O)c2cccnn2)[C@@H]1C	883620978	VYXBKKIJFKKRRB-IJLUTSLNSA-N	305.382	1.493	50	20	DDGD	
CC(C)CC(=O)N1CCCC[C@@H]1C(=O)NNc1cccnn1	1123782610	GMZYBUHXCBYPLN-GFCCVEGCSA-N	305.382	1.347	50	20	DDGD	
COCCONC(=O)NNc1ccc(F)cc1Br	789338337	QNNMQWQALDFAQU-UHFFFAOYSA-N	322.134	1.792	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1cc(Cl)ccc1OC	782462367	HNGKDINQFVGBQP-UHFFFAOYSA-N	321.786	1.251	50	20	DDGD	
CO[C@]1(C(=O)NNC(=O)c2c[nH]c3ccccc23)CCSC1	895519607	XTDUAJYXKFANJW-OAHLLOKOSA-N	319.386	1.451	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2ccc(OC(F)F)cc2)C(=O)O1	896338168	BMNIMGFHVNCVTQ-XCBNKYQSSA-N	315.276	1.618	50	20	DDGD	
O=C(CNC(=O)C1CCCCC1)NNc1ncncc1Cl	781813601	KJBOCCUVZZGXCZ-UHFFFAOYSA-N	311.773	1.270	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCOC[C@@H]2CCCO2)c1	780796068	JWJCIIUZYWSKSD-AWEZNQCLSA-N	322.361	1.502	50	20	DDGD	
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NNC(=O)c1ccc[nH]1	787430918	MIVLTJVSMMTJGW-ZDUSSCGKSA-N	309.329	1.518	50	20	DDGD	
COc1c(F)cc(F)cc1NC(=O)C(=O)NNc1ccccn1	784796976	WUXQCBYJKSPLIB-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
Cn1ncc2c1C[C@@H](C(=O)NNc1cccnc1Cl)CC2	799102039	XXLKRFCLXPZECV-VIFPVBQESA-N	305.769	1.717	50	20	DDGD	
COc1ccc([C@@H](NC(C)C)C(=O)NNc2ncccn2)cc1	895631214	UFDUDZTYCROSHC-CQSZACIVSA-N	315.377	1.668	50	20	DDGD	
O=C(C[C@H]1CCCC[C@@H]1O)NNC(=O)c1cccc([N+](=O)[O-])c1	798149682	FPVVMJXAEFZMPA-MFKMUULPSA-N	321.333	1.297	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1occ2c1CCC2	795970135	DYCXDVHMOOKMJI-UHFFFAOYSA-N	311.301	1.970	50	20	DDGD	
C[C@H]1CC(=NNC(=O)C[n+]2ccccc2)CN1Cc1ccccc1	794460844	XGCQNDSBYQIPQS-INIZCTEOSA-O	323.420	1.741	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccncn2)c2ccccc2n1	799009331	UTRJYMIHMLBDJK-UHFFFAOYSA-N	307.313	1.408	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	794867838	LUZVUIKZFFBALN-OAHLLOKOSA-N	310.350	1.280	50	20	DDGD	
Cc1ccc2c(c1)SCC2=NNC(=O)CN1CCCC1=O	797785742	RYWNHZUZYWIUKM-UHFFFAOYSA-N	303.387	1.543	50	20	DDGD	
C[C@@](O)(Cc1ccccc1)C(=O)NNc1nc2ccccn2n1	791257339	HPQFLNNUHXWDPR-MRXNPFEDSA-N	311.345	1.166	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)n1	794084543	SDPMKSBWYZPRLS-PKKJXTRXSA-N	323.396	1.545	50	20	DDGD	
CC(C)OC(=O)CC[C@H](C)NC(=O)NNC(=O)c1ccc[nH]1	792304270	WKCGLPKKVROHRR-JTQLQIEISA-N	310.354	1.079	50	20	DDGD	
Cn1cc(C(=O)CCC(=O)NNc2cccc([N+](=O)[O-])c2)cn1	793704729	JZGLJQDQBYDWMQ-UHFFFAOYSA-N	317.305	1.435	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@@H]2CC2(Cl)Cl)n1	792792944	AXNCFUJLOHCWKR-QMMMGPOBSA-N	317.176	1.528	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCc2cn(C)nc2C)cc1	1318515495	YQQFEKOMBWWHHX-UHFFFAOYSA-N	314.389	1.685	50	20	DDGD	
CN(C(=O)CN1CCN(C(=O)CCl)CC1)C1CCCCC1	1319785933	PKWSAKZVVQPBIP-UHFFFAOYSA-N	315.845	1.161	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@H](C)n1ccnc1)c1ccccc1	1322711195	MVXCVWXFZXFJOF-GXTWGEPZSA-N	300.362	1.785	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)CCc1cn(C)nc1C	1327429127	LUYHGBRJSGOKMD-UHFFFAOYSA-N	306.341	1.952	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)c1cn(C2CCOCC2)nn1	1324603589	UDVUPTFPJWCQOP-UHFFFAOYSA-N	322.756	1.435	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1ccncc1C(F)(F)F	1321613810	FEEQOELXUQTTRL-UHFFFAOYSA-N	323.238	1.524	50	20	DDGD	
COc1cccc2[nH]cc(CC(=O)NNC(=S)NC(C)C)c12	1320006686	YEUJKXGEPCBJOI-UHFFFAOYSA-N	320.418	1.623	50	20	DDGD	
Cc1nc([C@H](C)NC(=O)NNC(=O)c2ccccc2C)no1	1322543411	NAMWEKSKBAHSNW-VIFPVBQESA-N	303.322	1.392	50	20	DDGD	
Cn1c(=O)cc(C(=O)NCCCSC#N)c2ccccc21	1328296364	FIMFMIJJZAHITE-UHFFFAOYSA-N	301.371	1.873	50	20	DDGD	
CCC1CCC(CNC(=O)NNC(=O)C2CCNCC2)CC1	1325668253	UMJIVFXAPKNVLI-UHFFFAOYSA-N	310.442	1.533	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@@](O)(C3CC3)C2)C[C@H]1Br	1328573050	HRUBHVSEZQNAOI-RTXFEEFZSA-N	317.227	1.716	50	20	DDGD	
O=C(NNC(=O)[C@@]1(F)CCOC1)c1ccc(Cl)cc1Cl	1323020785	RPALWWHJLSIHRB-GFCCVEGCSA-N	321.135	1.883	50	20	DDGD	
CSC[C@H]1CCCN1CC(=O)NNC(=O)c1cccs1	777605643	RLDNOEQRJFLAQB-SNVBAGLBSA-N	313.448	1.337	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2CCC[C@@H]2OC)cc1	1335959086	CFDYKROMPJYJRB-CABCVRRESA-N	320.389	1.590	50	20	DDGD	
Cc1cc(CNC(=O)NNc2ccc(C(C)(C)C)nn2)n[nH]1	1252024497	DHSQNFNQIUFGTF-UHFFFAOYSA-N	303.370	1.632	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H]1CCOC(C)(C)C1	1336848142	JDNJCLUBOKNYFM-LLVKDONJSA-N	317.455	1.066	50	20	DDGD	
CCOCc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	1332151844	HQVDZNKINMLDQJ-FZMZJTMJSA-N	321.377	1.801	50	20	DDGD	
C[C@]1(COC(=O)c2ccc(C(N)=O)o2)C[C@@H]1Br	1263536575	ATTBWPBJNPJAKS-GZMMTYOYSA-N	302.124	1.709	50	20	DDGD	
Cc1ccccc1C(F)(F)C(=O)NNc1nnc(C)c(O)n1	1341342616	QPHTVDAZGRKOGL-UHFFFAOYSA-N	309.276	1.429	50	20	DDGD	
COc1c(C(=O)NNC(=O)C2CC2)cnn1-c1ccccc1	1342806310	CPOPQISWMXIRQP-UHFFFAOYSA-N	300.318	1.052	50	20	DDGD	
CC(C)[C@H](C#N)C=NNC(=O)COc1ccccc1[N+](=O)[O-]	1340953692	YXFRUVVAVKJIJI-LLVKDONJSA-N	304.306	1.871	50	20	DDGD	
CCn1cc(C=NNC(=O)c2n[nH]c3c2CCCC3)c(C)n1	1345042799	OSLNZQUZCRWBQI-UHFFFAOYSA-N	300.366	1.577	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1c[nH]cc(Cl)c1=O	1342785841	YKTFZICLSQAYMU-UHFFFAOYSA-N	319.752	1.843	50	20	DDGD	
Cc1cc(CCC(=O)NNC(=O)CNc2ccccc2)no1	1355214156	ILIPVTQBIXIDMF-UHFFFAOYSA-N	302.334	1.175	50	20	DDGD	
COc1cncc(C(=O)OC[C@@]2(C)C[C@H]2Br)n1	1515799131	MVFBKXBGKAZHCB-LDYMZIIASA-N	301.140	1.816	50	20	DDGD	
CN1CCC(N(CCO)C(=O)C2CCC(Cl)CC2)CC1	1521721283	AMPPOPXSTPQNJN-UHFFFAOYSA-N	302.846	1.699	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cc(C(=O)O)co1)c1ccccc1	1609883645	FDHIENJCUYJKEZ-GFCCVEGCSA-N	316.313	1.933	50	20	DDGD	
Cc1c(NNC(=O)c2cc([N+](=O)[O-])cn2C)cccc1C(=O)O	1607552667	RSVPWJFRSOYBSK-UHFFFAOYSA-N	318.289	1.697	50	20	DDGD	
Cn1cc2c(n1)CCC[C@@H]2C(=O)NNc1cccc(C(=O)O)c1	1608123292	QFIUDGWSTGYTIF-LBPRGKRZSA-N	314.345	1.682	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@]1(C(=O)O)CCSC1	1601045571	GAXFCMHHPRUCGG-XKOZXHHJSA-N	318.354	1.376	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(C(=O)O)c1)C(=O)OC(C)(C)C	1609636460	VOUCZSBJZUXSLM-VIFPVBQESA-N	308.334	1.806	50	20	DDGD	
CC(C)CC=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	1603270512	RELNULIYHAHUQV-UHFFFAOYSA-N	302.338	1.394	50	20	DDGD	
O=C(O)c1ccc(Cl)c(C=NNC(=O)C2CCOCC2)c1	1608892133	DRTWLKSDYOKVIF-UHFFFAOYSA-N	310.737	1.915	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H](C(=O)O)C1CC1)c1ccccc1	1603488657	OWQWOJXRQFPBEK-STQMWFEESA-N	304.346	1.438	50	20	DDGD	
O=C(O)C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1	1601635625	IIXCIQLUQXZZGW-UHFFFAOYSA-N	308.146	1.396	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1ccc(O)c([N+](=O)[O-])c1	1601561028	LGYWJROWDJHAPC-UHFFFAOYSA-N	317.257	1.756	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C(=O)NN=C1CCC(O)CC1	1549308655	DBNSKNMKDOSBRQ-KFTPUPIBSA-N	320.393	1.295	50	20	DDGD	
O=C(O)CC1(CC(=O)NNC(=O)[C@H]2CCCCO2)CCCC1	1610753694	VHXYUEQFZWTEIC-LLVKDONJSA-N	312.366	1.128	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@@H]2CCCO[C@@H]2c2nccn2C)CO1	1549318515	YGTIBKDZWUKUKQ-RTXFEEFZSA-N	306.366	1.169	50	20	DDGD	
Cn1cc([C@H]2OCCC[C@@H]2C=NNC(=O)c2ccc[nH]2)cn1	1552455212	YFJJALFHJYKZKN-RISCZKNCSA-N	301.350	1.632	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@@H]1NCC12CCCC2	1578506059	FRPYFPIYLYDVMN-AWEZNQCLSA-N	317.389	1.818	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H](C(C)C)[C@@H](C)N)c1	1579581201	JVWLPAZQMGYARU-CJNGLKHVSA-N	321.421	1.449	50	20	DDGD	
N#CCc1cccc(NC(=O)NNc2ncccc2C(=O)O)n1	1574480173	XUSKUMQPBRYIMB-UHFFFAOYSA-N	312.289	1.389	50	20	DDGD	
C[C@@H](CC#N)C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1589787730	QJYWHSZAFQSRRZ-ZETCQYMHSA-N	305.729	1.513	50	20	DDGD	
CC(C)=CCCNC(=O)NNc1cccc(-c2nn[nH]n2)c1	1589376605	JVLTWZQFNCFHLE-UHFFFAOYSA-N	301.354	1.849	50	20	DDGD	
O=C(N[C@@H]1CCNC1)[C@@]1(c2ccccc2)C[C@@H]1Br	1580742351	SHXGCCIYOJNWKJ-MBNYWOFBSA-N	309.207	1.570	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@@H](C(=O)O)C1CCCC1	1594707034	YHNWHXVAYSFWIA-AWEZNQCLSA-N	322.336	1.407	50	20	DDGD	
COC1(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CCC1	1591340576	ZDCUXZKZGMWSON-UHFFFAOYSA-N	300.322	1.151	50	20	DDGD	
C[C@H](CC(=O)O)CC(=O)NNC(=O)NCCc1cccs1	1592391871	SDNAVHQZBRCTOE-VIFPVBQESA-N	313.379	1.122	50	20	DDGD	
O=C(NN=Cc1sc(Cl)cc1C(=O)O)c1cccnn1	1776103728	XGHWLPSUHILKMM-UHFFFAOYSA-N	310.722	1.654	50	20	DDGD	
O=C(O)c1cnc2c(c1)C(=NNC(=O)c1cccnn1)CCC2	1776103592	QRHWIJKEQJKYQM-UHFFFAOYSA-N	311.301	1.040	50	20	DDGD	
O=C(NN=C1CC[C@H](C(=O)O)c2ccccc21)c1cccnn1	1776103743	YBTMODACXAPJOC-LBPRGKRZSA-N	310.313	1.573	50	20	DDGD	
CC(=NNC(=O)c1ccc(C(=O)O)cc1)C(C)(C)n1cncn1	1776100505	LDXTTWJSXBXJAR-UHFFFAOYSA-N	315.333	1.517	50	20	DDGD	
O=C(O)c1ccc2[nH]cc(C=NNC(=O)[C@@H]3CCOC3)c2c1	1776058155	KDAINCKMNVQRAQ-SNVBAGLBSA-N	301.302	1.353	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1cccc2[nH]nc(C(=O)O)c12	1776115615	FQWHUQJDKYHCMG-YFHOEESVSA-N	315.285	1.358	50	20	DDGD	
O=C(O)COc1ccccc1C=NNC(=O)c1ccc(O)nc1	1776094087	AKQGYFYQKFLPGK-UHFFFAOYSA-N	315.285	1.015	50	20	DDGD	
CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cl)CC)[C@H]2C1	1789861364	SNGUKATVGQRJPO-CYDGBPFRSA-N	316.829	1.394	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@H]1CC=CCC1	5515195	OHUYIFMTHLYHMU-GFCCVEGCSA-N	304.346	1.578	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2cc(C)on2)c1	13140752	NGABSOSAWKXDCE-UHFFFAOYSA-N	305.290	1.075	50	20	DDGD	
C#CCOCCC(=O)NNC(=O)CSc1ccc(C)cc1	158964548	PFWNFFFABVLUFJ-UHFFFAOYSA-N	306.387	1.274	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)[nH]n1	153195754	IYEWXGMBCHIJNF-MNOVXSKESA-N	320.299	1.561	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CSc2nc(C)n[nH]2)c1	156065551	FVUIOPQOZRPKPJ-UHFFFAOYSA-N	311.342	1.496	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)nn1	155121085	DHDVJKRYSVHXRJ-MXWKQRLJSA-N	305.382	1.720	50	20	DDGD	
CCc1nn(C)c(Cl)c1C(=O)NNC(=O)c1ccncc1	156380230	WEDHJKLACPRFAV-UHFFFAOYSA-N	307.741	1.106	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cc2c([nH]c1=O)CCCCC2	154706396	QIGSLMHLQVGPHE-UHFFFAOYSA-N	321.377	1.813	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CCCCO1	159809144	OCHGYXZGPMCGOJ-GXFFZTMASA-N	310.325	1.310	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cccn1C	159845811	FTTZWXWOPVPMSQ-MNOVXSKESA-N	303.387	1.960	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1ccc(N2CCOCC2)cc1	159135249	TXMKLEXLKVBUEZ-SQFISAMPSA-N	315.373	1.583	50	20	DDGD	
O=C1OCCN1[C@H]1CCN(C[C@@H](CBr)C2CC2)C1	859351485	WIZHZAJZTINVLK-NEPJUHHUSA-N	317.227	1.934	50	20	DDGD	
CC1(C)CN(S(=O)(=O)c2ccc(CCCl)cc2)C[C@H]1O	388039920	MRGUUPWMKVUWMH-CYBMUJFWSA-N	317.838	1.859	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@H](C)CNS(=O)(=O)CCl	831339813	WYMJTOKNRRFACG-SECBINFHSA-N	314.835	1.748	50	20	DDGD	
O=S(=O)(CCOCc1ccccc1)NCC(Cl)Cl	867470625	QLCNMXDHKJQNGX-UHFFFAOYSA-N	312.218	1.926	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@H](C)OC)cc1	54921879	RJJQSNFHMBYXIT-QWRGUYRKSA-N	310.350	1.035	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)c1ccccc1	50046736	KITTWMCCJDWJLK-UHFFFAOYSA-N	302.355	1.946	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCc2c(C)noc2Cl)o1	176217286	RYCIJQDQGUWJGR-UHFFFAOYSA-N	311.725	1.932	50	20	DDGD	
N#CCCCCNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	171449888	CCOVYKAMVFMLQO-UHFFFAOYSA-N	305.294	1.233	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)C1(c2ccccc2)CCC1	175394844	BOLNBSHQAWOGRS-UHFFFAOYSA-N	308.345	1.918	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Cc1ccccc1OC(C)C	110760787	QXKCALSKJBFFBD-UHFFFAOYSA-N	316.361	1.509	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1c[nH]nc1-c1ccccc1	103533503	JSROENMFTHAYAM-UHFFFAOYSA-N	321.340	1.475	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(F)cc2)c(O)c1	55647737	RFYWOMCDGYQCKC-UHFFFAOYSA-N	324.333	1.463	50	20	DDGD	
CC(C)Nc1ncccc1C(=O)NNC(=O)c1ccc(C#N)cc1	175791332	PYYGRDIBXDAXCM-UHFFFAOYSA-N	323.356	1.848	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C(=O)Nc1ccc(Cl)cc1	119505768	YOIGHSZPJCUUDO-UHFFFAOYSA-N	308.700	1.956	50	20	DDGD	
CC(C)[C@H](SCc1ccccc1)C(=O)NNC(=O)CN(C)C	113427614	NMDLGAGOQNDLTL-HNNXBMFYSA-N	323.462	1.653	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccc([N+](=O)[O-])cc2)o1	176858207	KJDCACZVHNAXNI-UHFFFAOYSA-N	304.262	1.963	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCc1nc2ccccc2[nH]1	64426875	UIYIFZMPRLRNKR-UHFFFAOYSA-N	303.366	1.626	50	20	DDGD	
O=C(NNC(=O)c1c(F)cccc1F)c1ccc2c(c1)OCO2	29604416	AFIXPNCBHGHDOM-UHFFFAOYSA-N	320.251	1.768	50	20	DDGD	
CCCc1ccc(S(=O)(=O)NNC(=O)NCC2CC2)cc1	64940332	XVYIJSKXQXEIQR-UHFFFAOYSA-N	311.407	1.542	50	20	DDGD	
CCNC(=O)CCCC(=O)NNc1cc(F)c(F)c(F)c1	175460329	QBYWZRMMNVARKN-UHFFFAOYSA-N	303.284	1.853	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNC(=O)CCCc1ccccc1	171023667	AODFZUHSXSISGD-WYMLVPIESA-N	301.346	1.601	50	20	DDGD	
CC1(O)CCN(S(=O)(=O)c2ccc(CCl)cc2)CC1	302519326	OSJOBCTWNAYUQA-UHFFFAOYSA-N	303.811	1.961	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(OCCC(=O)NNC(=O)NC2CC2)c1	64427683	SRYBDHGGPPCPJG-UHFFFAOYSA-N	322.321	1.165	50	20	DDGD	
Cc1cc([C@H](C)NC(=O)NNC(=O)c2cnn(C)c2)c(C)s1	117958374	DJGBYEWIQHQRSA-VIFPVBQESA-N	321.406	1.804	50	20	DDGD	
Cc1ccc(C(=O)NNc2nnc(C3CC3)s2)c(O)c1O	184481838	MUCFVEBDPDRJBV-UHFFFAOYSA-N	306.347	1.892	50	20	DDGD	
Cc1c(CNC(=O)NNC(=O)c2cccc(Cl)c2)cnn1C	179222365	HNGPBKQQAXIYMK-UHFFFAOYSA-N	321.768	1.526	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1n[nH]c2c1CCC2	119478583	NGZXPLXKYUJVMC-UHFFFAOYSA-N	323.356	1.383	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)c1ccc(F)cn1	184089174	BORMNURSOGVOAB-UHFFFAOYSA-N	324.406	1.634	50	20	DDGD	
Cc1cc(NNC(=O)CCc2nc(-c3ccoc3)no2)ncn1	172404724	WRRUORKQYMPDID-UHFFFAOYSA-N	314.305	1.504	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NNc1ccc(OC(F)F)cc1	122580785	DDKUYDPDRVOMQR-UHFFFAOYSA-N	322.333	1.556	50	20	DDGD	
C[C@H](CCCc1ccccc1)C(=O)NNC(=O)c1cnn(C)c1	180885834	LYOPXIYCCYLQPH-CYBMUJFWSA-N	314.389	1.840	50	20	DDGD	
N#Cc1ccc(S(=O)(=O)NNC(=O)c2ccc[nH]2)cc1Cl	121088661	JAYYOWLRERLVJC-UHFFFAOYSA-N	324.749	1.163	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2cccc(F)c2)c1	73315386	XBTOTSNZJQLBKB-UHFFFAOYSA-N	317.320	1.707	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1cnn(Cc2ccccc2)c1	186011167	OQQLRLTVWPLWDF-UHFFFAOYSA-N	324.344	1.726	50	20	DDGD	
CC(=O)NNC(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1	181974095	UADJAMNEILPYHY-OAQYLSRUSA-N	311.407	1.906	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H](C)Cc1ccc(C)cc1	180991438	QLKDNSFMYWVUQZ-CYBMUJFWSA-N	307.394	1.541	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccn(-c2ccc(F)cc2)n1	77220482	VQHVMTSRGABOCF-UHFFFAOYSA-N	304.325	1.819	50	20	DDGD	
CCOC(=O)NNC(=O)c1c[nH]nc1-c1c(F)cccc1F	133781125	ASCPTLDCBJAPJN-UHFFFAOYSA-N	310.260	1.746	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2c(C)cccc2C)n1	183032411	UPGMGQZHNMUWSD-UHFFFAOYSA-N	314.345	1.789	50	20	DDGD	
COc1nccnc1NNC(=O)c1cccnc1NC(C)C	131782333	CVAFFKSGKTUYPS-UHFFFAOYSA-N	302.338	1.457	50	20	DDGD	
O=C(CCOC1CCOCC1)NNc1ccc([N+](=O)[O-])cc1	133763611	KHGVZWHBPUCDHT-UHFFFAOYSA-N	309.322	1.624	50	20	DDGD	
Cc1cccc(CC(=O)NNc2nc3ccccc3c(=O)[nH]2)c1	137208318	OGEZNGMKPYGBRE-UHFFFAOYSA-N	308.341	1.917	50	20	DDGD	
Cc1ccc(CC(=O)NNc2nc3ccccc3c(=O)[nH]2)cc1O	89456836	IQLWTDSEDYEXNK-UHFFFAOYSA-N	324.340	1.623	50	20	DDGD	
C[C@H](CBr)CN(C1CC1)[C@@H](C)CS(C)(=O)=O	133791277	HMDHXNIYCBJCTJ-ZJUUUORDSA-N	312.273	1.915	50	20	DDGD	
O=C(CC1OCCCO1)NNc1ncc(Cl)cc1Cl	193868277	HEGLPYIRNNRLAT-UHFFFAOYSA-N	306.149	1.985	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNc1ccc(Cl)nn1	133356978	VJERFZPLIMXQDO-UHFFFAOYSA-N	309.757	1.929	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNC(=O)c2ccc(C)cc2O)c1	80394480	GLVCBSSECNFZGU-UHFFFAOYSA-N	301.302	1.306	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNc1nc2ccccn2n1	191924163	HIXHPLUIDJTQRP-SECBINFHSA-N	313.365	1.706	50	20	DDGD	
CSCCNC(=S)NNC(=O)/C=C/c1ccsc1	94121347	BEMAONZYSFCSJX-NSCUHMNNSA-N	301.462	1.620	50	20	DDGD	
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NNC(=O)OC(C)(C)C	249788701	SXVAVZUUNJSHRP-NEPJUHHUSA-N	314.430	1.846	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CCCc1ccc2c(c1)CC(=O)N2	264276069	TYXKFGCPFYMNEU-UHFFFAOYSA-N	318.377	1.243	50	20	DDGD	
O=C(NCCCO[C@H]1CCOC1)NNc1cccc([N+](=O)[O-])c1	268110419	GMAPDZGLAUGTMM-ZDUSSCGKSA-N	324.337	1.417	50	20	DDGD	
O=C(NC[C@H]1CSCCS1)NNC(=O)c1ccccc1	268146326	QTGNIKDDHLODAH-NSHDSACASA-N	311.432	1.479	50	20	DDGD	
C[C@@H](O)CC(C)(C)CNC(=O)NNC(=O)c1ccccc1O	266884747	SSRGJBHOLSMVLZ-SNVBAGLBSA-N	309.366	1.133	50	20	DDGD	
CSCCCCC(=O)NNC(=O)Cn1cnc2ccccc21	265700058	DGIYENFUUGXPQF-UHFFFAOYSA-N	320.418	1.717	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(OC)cc1C(=O)OC	269456879	FMZIWNLXPKTBRE-MDZDMXLPSA-N	304.302	1.864	50	20	DDGD	
CC[C@H](C)NC(=O)[C@H](C)NC(=O)NNc1cccc(OC)n1	272422065	DNVGCHVSORDYIT-UWVGGRQHSA-N	309.370	1.020	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@@H]2CC[C@H](N)[C@H]2C1	273408476	METQMSCTQMPLJS-AVGNSLFASA-N	310.829	1.548	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cncc(Br)c1	271361145	NHLVCDLNKCOOHH-UHFFFAOYSA-N	301.144	1.150	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccnn1Cc1ccccn1	273480699	UOMAVALNFYZDRX-UHFFFAOYSA-N	316.365	1.525	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1cccc(F)c1[N+](=O)[O-]	279452186	VQXWXKSMUIGKLI-UHFFFAOYSA-N	314.273	1.313	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)[C@H](C)SC	270478874	FIMGRCPSMIUERJ-VIFPVBQESA-N	314.432	1.686	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C	276730121	VIMOWDZCICCZDK-QWHCGFSZSA-N	319.409	1.806	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])c(OC)c1	271355916	MDZSCDSEEYWOTB-WQLSENKSSA-N	319.317	1.663	50	20	DDGD	
Cn1cnc(-c2cccc(NC(=O)NNC(=O)C3CCC3)c2)n1	274620532	RQDHCLTXNIEGEY-UHFFFAOYSA-N	314.349	1.435	50	20	DDGD	
C[C@@H]1NC(C(=O)N2CC=C(C#N)CC2)=NN(c2ccccc2)C1=O	270899946	FGFHBMIPNXZJNW-LBPRGKRZSA-N	323.356	1.007	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)[C@@H]1C[C@@]12CCOC2	376359045	JNLSWMFQBSKCQU-QFBILLFUSA-N	324.380	1.956	50	20	DDGD	
O=C(C[C@H]1CCCC(=O)N1)NNc1ncnc2ccsc12	289751751	JDYAGQMRRZCBQX-MRVPVSSYSA-N	305.363	1.193	50	20	DDGD	
COCCCC(=O)NNC(=O)Nc1cc(OC)ccc1Cl	283701927	RBOUZFWWCHJLGK-UHFFFAOYSA-N	315.757	1.928	50	20	DDGD	
CC[C@@H](C)CCC(=O)NNc1nccc(N2CCOCC2)n1	288596279	ZJFMUYLMLOZRBY-GFCCVEGCSA-N	307.398	1.583	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1nccn2ccnc12	286940494	JYRDNUJZPKMJKB-UHFFFAOYSA-N	309.333	1.544	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2cc(C)cc(C)c2)ccn1	806997692	SKCGISAKMMBUQL-UHFFFAOYSA-N	314.345	1.789	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc2c(c1)CCC2)[C@H]1CCCCO1	296678953	HZDHNARHASZMRG-CQSZACIVSA-N	324.402	1.054	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNC(=O)c1cn(C)c2ccccc12	809983932	XFJZMQJXFVJKLS-MRXNPFEDSA-N	301.346	1.266	50	20	DDGD	
O=C(CCOCc1ccccc1)NNC(=O)[C@@H]1CCCCO1	295668639	WRVDCZBBKMWEHX-AWEZNQCLSA-N	306.362	1.310	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1ccccc1	298438068	SSWPGMSOUBLYPF-CQSZACIVSA-N	315.373	1.096	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccc2c(c1)OCCO2)C(C)(F)F	292960451	CSWBYXZXXFDVOU-MRVPVSSYSA-N	314.288	1.510	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1c(F)cc(F)cc1F	292710246	LLAAFVSIGDDIIN-VIFPVBQESA-N	303.240	1.436	50	20	DDGD	
COC(=O)Cc1cccc(C(=O)NNc2cccc(F)n2)c1	804772072	ZPOGQPUBEIATGS-UHFFFAOYSA-N	303.293	1.693	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21	296340451	CGFKKJMRNCBTEM-BYNSBNAKSA-N	315.373	1.224	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)NOCC1CC1	297522522	XGIOCJUPVDBIBR-UHFFFAOYSA-N	312.757	1.695	50	20	DDGD	
CC#CC(=O)NNC(=O)c1ccc(Br)cc1Cl	801151673	SHSYYHFXYQLSGR-UHFFFAOYSA-N	315.554	1.887	50	20	DDGD	
Cn1nnc2c1C[C@H](C(=O)NNc1ccc(F)cc1F)CC2	290271817	PMIJVGUPNLZSPG-MRVPVSSYSA-N	307.304	1.342	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H](C)C2)cc1	802053791	AMZZLABZGODHLQ-GHMZBOCLSA-N	307.350	1.663	50	20	DDGD	
CCNC(=O)C(C)(C)CNC(=O)NNc1ncc(F)cc1F	297319282	NBOQMMNNTTTZJA-UHFFFAOYSA-N	315.324	1.148	50	20	DDGD	
COCCN1C[C@H](C(=O)OC[C@@H](C)CBr)CC1=O	800132040	MUFDJLJMXVDDSY-VHSXEESVSA-N	322.199	1.056	50	20	DDGD	
Cc1cc(C)c(S(=O)(=O)NNC(=O)[C@@H]2CCCCO2)s1	296874274	ZZAUHXWGOCRJNG-JTQLQIEISA-N	318.420	1.244	50	20	DDGD	
O=C(NNc1c(F)cccc1F)c1cn(C2CCOCC2)nn1	810420123	BBVDAIAASDGPJZ-UHFFFAOYSA-N	323.303	1.665	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1CCc2ccc(C#N)cc21	811638444	OKUXNAVYBWXVEY-UHFFFAOYSA-N	311.370	1.986	50	20	DDGD	
O=C(CCCC1CC1)NNC(=O)c1nnc(O)c2ccccc12	812445440	RCRXJHAAUXLWBB-UHFFFAOYSA-N	314.345	1.677	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NC[C@@H]1C[C@H]2C=C[C@H]1CC2	817157373	IYUKRVREUHREEP-QEJZJMRPSA-N	314.389	1.557	50	20	DDGD	
CCOCc1nc([C@H](C)NC(=O)NNC(=O)CC(C)C)no1	812569038	XGVCLDGLSXUNFB-VIFPVBQESA-N	313.358	1.044	50	20	DDGD	
COc1cc(C(C)=NNC(=O)CNC(=O)c2cccs2)on1	814826971	OUGLTBUPXAPTDF-UHFFFAOYSA-N	322.346	1.015	50	20	DDGD	
CC1CCC(N2C[C@H](C(=O)NNC(=O)CC3CC3)CC2=O)CC1	819118072	MPQWZMYAKTYIAS-HRDQMINSSA-N	321.421	1.361	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)c2cc[nH]c2)cc1	812730329	DFUDYUJUFZJQSY-UHFFFAOYSA-N	308.363	1.022	50	20	DDGD	
CO[C@](C)(C=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)C1CC1	814752844	GQAWLCUPSIBJSM-CQSZACIVSA-N	306.322	1.708	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)c2ccccn2)c(F)c1	729665504	TVJHYTICSWFRBH-UHFFFAOYSA-N	309.322	1.152	50	20	DDGD	
COCCc1nc(C)c(C(C)=NNC(=O)Cc2cc[nH]n2)s1	814955812	YVPWMJIXHBUIAY-UHFFFAOYSA-N	321.406	1.446	50	20	DDGD	
CNC(=O)c1ccc(C=NNC(=O)c2cccc(C#N)c2)cc1	728781208	HRJGPQNZCTWZQQ-UHFFFAOYSA-N	306.325	1.682	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(C)[C@@H](C)C(=O)O)cc1	818240124	WSYQTYKOODEWTQ-GJSJWPQCSA-N	302.330	1.924	50	20	DDGD	
COc1cccc(S(=O)(=O)NNC(=O)c2ccccc2C)c1	727352153	DGRCEBBVZDCZPP-UHFFFAOYSA-N	320.370	1.627	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@H](O)c1cccc(C(F)(F)F)c1	823922206	JEUHONTWFZOIHA-LDYMZIIASA-N	306.284	1.083	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)C(C)(C)c2ccccc2)CO1	825957460	MAUFJKJIKVNNDY-WCQYABFASA-N	305.378	1.472	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCOc2ccccc2C1	827308148	YMYQQPQEFCCIEE-WCQYABFASA-N	319.361	1.047	50	20	DDGD	
CNC(=O)NNC(=O)c1csc(-c2ccc3c(c2)OCO3)n1	726528480	XGUHAHQVZHKIBP-UHFFFAOYSA-N	320.330	1.113	50	20	DDGD	
CC(C)c1c(C(=O)NN(C)[C@H](C)CO)cnn1-c1ccccc1	823976179	ALPDFFSJBWUXIK-CYBMUJFWSA-N	316.405	1.953	50	20	DDGD	
COC(=O)[C@H]1CCc2sc(NC(=O)NN(C)C3CC3)nc2C1	824380083	JDJDXZMRSPGTRC-QMMMGPOBSA-N	324.406	1.552	50	20	DDGD	
O=C(NN=CC[C@@H]1CCOC1)c1ccc(-c2nn[nH]n2)cc1	826444693	QMKOARTUVFRAKY-SNVBAGLBSA-N	300.322	1.009	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2C[C@H](O)C[C@@H]2c2ccccc2)cn1	491177088	UGZUGSCWLZITLR-CTOSAQQISA-N	322.368	1.662	50	20	DDGD	
Cc1cccc2c1O[C@@H](C(=O)NNC(=O)NCc1ccco1)C2	825421419	WQWSJCGSKRWXAO-CYBMUJFWSA-N	315.329	1.422	50	20	DDGD	
N#C/C(=C\c1ccc(F)c(S(N)(=O)=O)c1)C(=O)N1CCCC1	491176454	PPXASALIFSFPEP-YRNVUSSQSA-N	323.349	1.002	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(-c3nn[nH]n3)cc2)n1	826216826	PIKCLXYQPLWEBN-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=S)NCCc1cccs1	727697177	CHPURXPKVFZYCZ-UHFFFAOYSA-N	311.354	1.738	50	20	DDGD	
CC[C@H](C)[C@H](C=NNC(=O)CNC(=O)OC(C)(C)C)OC	496732119	WMDCYCFPKFNBPH-QWRGUYRKSA-N	301.387	1.674	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCSC2(CCCCC2)C1	584961417	UUCDZLAKFPKKOV-UHFFFAOYSA-N	319.235	1.258	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CSc2ccncc2)c1	727348558	VLSZEXSKEYBZAX-UHFFFAOYSA-N	301.371	1.943	50	20	DDGD	
COc1c(F)cc(S(=O)(=O)NNC(=O)C2CCC2)cc1F	901894255	QSRYPRNYRZECHF-UHFFFAOYSA-N	320.317	1.083	50	20	DDGD	
CC(C)(CNC(=O)c1cc(B(O)O)ccc1F)C1CCCC1	584964465	FDIBYLYNTPZKGY-UHFFFAOYSA-N	307.174	1.452	50	20	DDGD	
O=C(O)CCCN1CCC(=NNC(=O)c2ccccc2O)CC1	739672531	NWEYQOXMGOKZKL-UHFFFAOYSA-N	319.361	1.439	50	20	DDGD	
CCCN(CCN(CC)CC)C(=O)/C(C#N)=C\c1cnn(C)c1	491007735	GVMWJAYBAUDCLE-WJDWOHSUSA-N	317.437	1.907	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(Br)c(F)c1)N(C)C	822037139	CWSCXQBHMSVACV-SSDOTTSWSA-N	304.163	1.981	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1C(=O)NNC(=O)[C@H]1COc2ccccc2O1	822192564	RIZDPUHLCIOLLY-TYNCELHUSA-N	318.373	1.800	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cc2c(cc1OC)OCO2	490873411	DJULPSWRHGHXMD-VZUCSPMQSA-N	304.302	1.093	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNc2nc3ccccc3[nH]2)CC1=O	839716159	LVUMZJAVVFCCPC-JTQLQIEISA-N	301.350	1.265	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc2c(c1)nnn2C	737423663	VMHKLBLCKZGIQV-UHFFFAOYSA-N	302.382	1.150	50	20	DDGD	
COc1cccc(C2(C(=O)NNC(=O)[C@@H]3CCCCO3)CC2)c1	833235500	FSOLNBUQETUKLH-AWEZNQCLSA-N	318.373	1.443	50	20	DDGD	
O=C(CCc1cccc(Cl)c1)NNC(=O)[C@H]1CCCCO1	833256143	LCXQUMPJKRBRNS-CYBMUJFWSA-N	310.781	1.989	50	20	DDGD	
O=C(NNc1ccc(Br)c(F)c1)[C@@H]1C[C@H]1[N+](=O)[O-]	839728942	SBHMLKQSXWIDPA-HZGVNTEJSA-N	318.102	1.697	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@@]2(C)CCCCO2)cc1	837604209	MVPOOGRIRIIDNP-MRXNPFEDSA-N	320.393	1.865	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCl)c1noc(Cc2ccccc2)n1	830809076	UYNGVJCDTCZVKF-SECBINFHSA-N	315.782	1.837	50	20	DDGD	
C[C@@]1(C(=O)NNc2nc(-c3cccnc3)no2)CCCCO1	837408848	SDXBQKPPUODJAV-AWEZNQCLSA-N	303.322	1.534	50	20	DDGD	
Cc1onc(-c2cccc(F)c2)c1C(=O)NNC(=O)NC1CC1	906416330	LHDIYENGSXIBII-UHFFFAOYSA-N	318.308	1.896	50	20	DDGD	
CN(C)CCOc1ccccc1CNS(=O)(=O)CCl	830297933	OHSQZMVCCJVYNB-UHFFFAOYSA-N	306.815	1.243	50	20	DDGD	
O=C(CCOc1ccccc1)NN[C@H](C(=O)O)c1ccccc1	738458446	MUONDNZUDKXVLY-INIZCTEOSA-N	314.341	1.902	50	20	DDGD	
CO[C@H]1CCN([C@H](C)C(=O)NNC(=O)CC(C)C)CC1(C)C	831547023	GUNXXIQGVWCZEF-OLZOCXBDSA-N	313.442	1.315	50	20	DDGD	
CNS(=O)(=O)c1cccc(C(C)=NNC(=O)C2CCC2)c1	731936102	HHKYLQGHXXDKOH-UHFFFAOYSA-N	309.391	1.235	50	20	DDGD	
CC[C@@H]1CCCN(C(C)(C)CNC(=O)NNC(=O)C(C)C)C1	732249708	RPANEWUMXZJYNT-CYBMUJFWSA-N	312.458	1.873	50	20	DDGD	
OB(O)[C@@H]1CCN(c2nc(-c3cccnc3)nc3c2CCC3)C1	585072501	BJUGXKOXFYBYCX-GFCCVEGCSA-N	310.166	1.080	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N(Cc1cccs1)C1CC1	584927540	HDUKBUYWFVGAGQ-UHFFFAOYSA-N	319.166	1.372	50	20	DDGD	
C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1cccc(B(O)O)c1	584960064	GOEQCPHDHWBSHT-SUMWQHHRSA-N	309.174	1.385	50	20	DDGD	
Cc1ccc(N2CCC[C@@H](NCc3cccc(B(O)O)c3)C2)cc1	585026896	LTYPAIOAXYWVGB-GOSISDBHSA-N	324.233	1.433	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1	910156041	QQNLKRJIKYWSEO-RDDDGLTNSA-N	307.177	1.371	50	20	DDGD	
NC(=O)c1ccc(C=NNC(=O)c2ccc(O)c(Cl)c2)cc1	734095024	XZWPJTMEZLCVMJ-UHFFFAOYSA-N	317.732	1.908	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)COC1CCCCC1	916093115	GIXURCGKZQKSTM-UHFFFAOYSA-N	324.352	1.701	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1ccc(-n2cccn2)nc1	734261525	JGUFAWBXRGRZJS-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
CC(C)[C@@H]1C[C@H](CC(=O)NNC(=O)[C@@H]2CCCCO2)CCO1	833243766	XGMHZFYVRJCVJR-RDBSUJKOSA-N	312.410	1.544	50	20	DDGD	
CCOc1cccc2c1OCC(C(=O)NN(C)CCOC)=C2	837621976	OVKRMEQTFBCQIQ-UHFFFAOYSA-N	306.362	1.471	50	20	DDGD	
Cc1ncc(C=NNC(=O)c2cc([N+](=O)[O-])ccc2O)s1	741773037	IEUJFFJYROMSFX-UHFFFAOYSA-N	306.303	1.829	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@@H]2CCC[C@@H](N)C2)cc1	841981003	OESNHKNUFXXXON-ZYHUDNBSSA-N	321.381	1.301	50	20	DDGD	
COc1ccc(C=NNC(=O)OC(C)C)c(OCC(=O)O)c1	842563676	KFSRSWFNQQSINW-UHFFFAOYSA-N	310.306	1.627	50	20	DDGD	
O=C(NCc1nc(C2CC2)no1)NNc1ccc(Cl)nn1	918234000	YNXPSSWTTGXQLY-UHFFFAOYSA-N	309.717	1.217	50	20	DDGD	
O=C(Cc1ccccc1[N+](=O)[O-])NNC(=O)CC(F)(F)F	918365573	FIYWAIAQZKXMBU-UHFFFAOYSA-N	305.212	1.237	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H](C)[C@](C)(OC)C2CC2)nc1	841588776	CMLSFQCEEAUOLN-BMIGLBTASA-N	308.382	1.920	50	20	DDGD	
C[C@@H]1O[C@H](C)C[C@H]1CNC(=O)NNC(=O)CCc1ccccc1	840436365	OVNBKHYKNABAEL-IPYPFGDCSA-N	319.405	1.763	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NC[C@@H](N)C(C)C)cc1	841944986	SFQFUDWYEWBOKC-GFCCVEGCSA-N	309.370	1.014	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1	919924677	SETXOVGTICRWOV-MELADBBJSA-N	312.458	1.729	50	20	DDGD	
COc1cc(C2(C(=O)NNC(=O)C3CC3)CCC2)ccc1C	749561362	IEERKJOXLHAALM-UHFFFAOYSA-N	302.374	1.983	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)CNc2ccccc2)cc1C1CC1	743293253	NESPIQZKZRMGPX-UHFFFAOYSA-N	313.361	1.171	50	20	DDGD	
CC(C)CC(=O)N/N=C1/C(=O)Nc2cc3c(cc21)OCCCO3	17426377	UDLZBXKZTWOQCJ-UHFFFAOYSA-N	317.345	1.666	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)NC2)cc1	915696118	JSJAIBIPXUNYJZ-GFCCVEGCSA-N	317.389	1.271	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)C1SCCCS1	841431524	GURMLTHJQAUJSR-UHFFFAOYSA-N	303.331	1.075	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cc(F)ccc1OC	842578141	UWUTZJFJGSFCPR-MRVPVSSYSA-N	304.343	1.190	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1nc(Cl)ccc1Cl	843640476	NUVVXLOKMAUXBR-RNFRBKRXSA-N	318.160	1.574	50	20	DDGD	
CC(C)Cn1nccc1C(=O)NNC(=O)CCc1ccccc1	843539972	PDGISWRYEKHEHL-UHFFFAOYSA-N	314.389	1.933	50	20	DDGD	
CC[C@@H](N)CNC(=O)NNc1cccc(Br)n1	842008165	RYWHOVKPDBASCB-SSDOTTSWSA-N	302.176	1.208	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1C[C@@H]2CCCC[C@]2(C(=O)OC)C1	848253846	ZIPVCHRIYHBBIU-ZXAJNCHPSA-N	306.362	1.622	50	20	DDGD	
C[C@H](CCN)NC(=O)NNC(=O)Nc1cc(F)cc(F)c1	841967479	NIPYKVLYGCKDSQ-SSDOTTSWSA-N	301.297	1.038	50	20	DDGD	
COc1ccccc1CCNC(=O)NNC(=O)C1CCCC1	915904223	SAVRKXXYIOHQDR-UHFFFAOYSA-N	305.378	1.758	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)[C@H](C)Oc1ccc(F)cc1	749758632	OWFCDAZNDCITPC-UWVGGRQHSA-N	313.398	1.887	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2COCc3ccccc32)n1	842188979	BCSGHZJOJHOSPB-LBPRGKRZSA-N	315.333	1.383	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CCO[C@H]2C)cc(Cl)c1O	842560751	YYVOJSQBDNPWAT-WPRPVWTQSA-N	312.753	1.929	50	20	DDGD	
COCCN1[C@H]2CC[C@H]1CC(=NNC(=O)[C@@H]1CCO[C@H]1C)C2	842548588	ACUQCSIWEFXDFS-CYUUQNCZSA-N	309.410	1.157	50	20	DDGD	
NC(=O)c1ccc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)cc1	915933380	VJGNHMYROVPJKW-UHFFFAOYSA-N	312.285	1.458	50	20	DDGD	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NNC(=O)c1c[nH]nc1C	742648052	XYUQFGHZJWDEIF-QKCSRTOESA-N	322.409	1.853	50	20	DDGD	
O=C(NCc1ccc2c(c1)CCCN2)NNC(=O)C1CCC1	842001004	RKYDKWZIGFSIQH-UHFFFAOYSA-N	302.378	1.675	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2)no1)c1ccccn1	915056595	SNPAPHXOTWZMEE-UHFFFAOYSA-N	308.297	1.811	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNc1ncnc(Cl)c1C(C)C	840549084	WPWLUQLEWHRXPM-MRVPVSSYSA-N	313.789	1.611	50	20	DDGD	
CC(C)CN(Cc1ccccn1)C(=O)c1cccc(B(O)O)c1	928743362	RJCRNNVWKINUIZ-UHFFFAOYSA-N	312.178	1.060	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(=O)c1ccc(Cl)cc1	843649427	VFPLLYJTVGLTSR-GZMMTYOYSA-N	310.737	1.095	50	20	DDGD	
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NNC(=O)N(C)C	746014710	OCZDHTPGRWPLDN-CYBMUJFWSA-N	304.350	1.264	50	20	DDGD	
COc1ccccc1CCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843649227	TXYNDPSHWFNEAC-YPMHNXCESA-N	306.362	1.200	50	20	DDGD	
O=C(NN=C1CCN(c2ccccn2)CC1)N1CCOCC1	745591192	SKJQTOXPBFGDFZ-UHFFFAOYSA-N	303.366	1.080	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccc(OC)cc2)ccc1=O	746887632	VZJIMHDSSLKJNX-UHFFFAOYSA-N	317.345	1.260	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1ccc(C)c([N+](=O)[O-])c1	744824358	XXOPRLQODVZMES-UHFFFAOYSA-N	304.306	1.022	50	20	DDGD	
N[C@H](CNC(=O)NNC(=O)c1cc2ccccc2o1)C1CC1	841968735	UYDVHNWWMGDENT-LLVKDONJSA-N	302.334	1.114	50	20	DDGD	
COC(=O)NCCNC(=O)NNc1ccc(Cl)cc1F	922775039	HPEJATBIIIISIY-UHFFFAOYSA-N	304.709	1.461	50	20	DDGD	
CCCC(=O)NC1CCN(CCI)CC1	759339153	SLEACEJHQFXFJA-UHFFFAOYSA-N	324.206	1.802	50	20	DDGD	
C[C@@H]1CC(F)(F)CCN1CC(=O)NNC(=O)c1ccccc1	859838043	IFIDXKBBPYMQKF-LLVKDONJSA-N	311.332	1.567	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNC(=O)COc1ccccc1F	858129453	JRIZWGLTRAFHBP-ZDUSSCGKSA-N	312.341	1.557	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCCCNC(=O)C(C)C	853912537	ZSWGNLDCNJWALH-UHFFFAOYSA-N	310.373	1.923	50	20	DDGD	
O=C(NNC(=O)c1cc[nH]n1)Nc1nc2c(s1)CCCC2	853822535	OVQBSNZDWCIUML-UHFFFAOYSA-N	306.351	1.212	50	20	DDGD	
CC1CC(C#N)(C(=O)NNC(=O)COCc2ccccc2)C1	758243598	SMXRQNUKHSQWOI-UHFFFAOYSA-N	301.346	1.290	50	20	DDGD	
N#CCc1ccc(C(=O)NNC(=O)CCc2ccccc2O)cc1	759781518	JCCMCZMXRDBKPC-UHFFFAOYSA-N	323.352	1.852	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1ccc(-n2cnnn2)cc1	755434222	HVFUEZBNONQMRI-UHFFFAOYSA-N	315.337	1.005	50	20	DDGD	
O=C(NCc1cc2c(s1)CCCC2)NNC(=O)c1cn[nH]c1	858703684	ABHYLYNPZLWZGW-UHFFFAOYSA-N	319.390	1.494	50	20	DDGD	
COC[C@@H](C)CC(=O)NNc1ccc(Br)nc1	755795174	DPNRDXOCBDMEOW-QMMMGPOBSA-N	302.172	1.960	50	20	DDGD	
Cc1ccc(CO[C@H](C)C(=O)NNC(=O)Cc2cc[nH]n2)cc1	859251715	CKSHWTIOGOPREX-GFCCVEGCSA-N	316.361	1.013	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccc(Cl)c1)[C@@H]1CCC(=O)N1	858132757	KAIBJICGQOLCQI-KCJUWKMLSA-N	309.753	1.016	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1Cl)N[C@@H]1COC(=O)C1	923738945	ALFTUKUVUVSADH-ZETCQYMHSA-N	304.133	1.935	50	20	DDGD	
O=C(CNC(=O)C1CCCCC1)NNc1ccc(Cl)cn1	856094626	OYACBXWDNZYFTO-UHFFFAOYSA-N	310.785	1.875	50	20	DDGD	
COC[C@@H](C)CNC(=O)NNc1ccc([N+](=O)[O-])cc1F	853763042	DVKUVZYZQAMNHL-QMMMGPOBSA-N	300.290	1.643	50	20	DDGD	
COCCn1cc(CNC(=O)NNc2ccc(C)c(F)c2)cn1	854041402	NGDMIGHMBCXNHE-UHFFFAOYSA-N	321.356	1.803	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2c[nH]nc2C)cc(OC)c1	755373360	BTQBKOILPRORHI-UHFFFAOYSA-N	319.321	1.202	50	20	DDGD	
CN(CC(=O)NNc1ccnc(Cl)c1)[C@H]1CCSC1	855465690	UUDOZPJCQSMLNB-JTQLQIEISA-N	300.815	1.615	50	20	DDGD	
CO[C@H](C)C(C)=NNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C	853371831	KBDKPKXXCNLNNF-JHJVBQTASA-N	308.382	1.415	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1csc(C)c1	853390904	RSEQBQOUBKZNQH-KGLIPLIRSA-N	307.419	1.760	50	20	DDGD	
C[C@@]1(CNC(=O)c2nccn3ccnc23)C[C@H]1Br	857389055	XMJPFNBHMNOGAP-PELKAZGASA-N	309.167	1.633	50	20	DDGD	
CCC[C@H](CNC(=O)NNc1ncncc1Cl)OCC	858681902	KCSMMHXTDVKJPN-SECBINFHSA-N	301.778	1.961	50	20	DDGD	
CC(C)(C)Oc1ccc(C(=O)NNC(=O)c2cc[nH]n2)nc1	855355744	GOZBZRMAICWCDC-UHFFFAOYSA-N	303.322	1.057	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)C1(c2cccnc2)CCCC1	855001084	UGQVPMSAFHTXHH-UHFFFAOYSA-N	315.295	1.993	50	20	DDGD	
COC(=O)c1ncoc1CCC(=O)NNc1ccc(C)c(F)c1	856232851	XWNOTVGRHRUPBD-UHFFFAOYSA-N	321.308	1.985	50	20	DDGD	
Cc1cc(=NNC(=O)NCc2cc(C3CC3)n(C)n2)cc[nH]1	927662415	HBDDPISHOOANAT-UHFFFAOYSA-N	300.366	1.249	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCCN1CCOCC1	754548070	BOXTWEJULVARGA-SDNWHVSQSA-N	302.330	1.175	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)nc1	855831793	HOXMESDUDZFPBX-UHFFFAOYSA-N	320.393	1.094	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NNc2cc(Cl)nc(N)n2)C1	857863216	SNTXOORSYDNQQW-POYBYMJQSA-N	321.772	1.245	50	20	DDGD	
O=C(NCC1CC1)NN=Cc1ccc(N2CCC(O)CC2)cc1	853295521	LZQFJVQJNAOAHA-UHFFFAOYSA-N	316.405	1.691	50	20	DDGD	
CCC1=C(C(=O)NN(C)C(=S)NCCCOC)CCCO1	854284498	MHHQOHNOUYDZBE-UHFFFAOYSA-N	315.439	1.335	50	20	DDGD	
C[C@H](CCNC(=O)NC[C@@]1(C)C[C@H]1Br)N(C)C	856961457	ZVFOQNLNIKBFGC-CKYFFXLPSA-N	306.248	1.799	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2cc(O)cc(C(F)(F)F)c2)N1	863149899	IFIGEKBORXNZAP-SNVBAGLBSA-N	315.251	1.140	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)CC(C)(C)CCl	867034620	XWSOWWLSYCYULR-NXEZZACHSA-N	310.847	1.086	50	20	DDGD	
COc1ccc(Cl)cc1C(C)=NNC(=O)[C@H]1CCC(=O)N1	863146503	WQBJGQNGEXXERR-LLVKDONJSA-N	309.753	1.467	50	20	DDGD	
CCN(CC)C(=O)CNC(=O)[C@H](Br)C(C)(C)C	767319063	COTWTEXRMJHNBZ-JTQLQIEISA-N	307.232	1.781	50	20	DDGD	
N#Cc1cccc(NNC(=O)CCCOC2CCOCC2)c1	866867652	UGNMPMQGBANREM-UHFFFAOYSA-N	303.362	1.977	50	20	DDGD	
C[C@@H](NNC(=O)c1cccc(C2OCCO2)c1)C(F)(F)F	862314651	GDYMABQEMPQVCG-MRVPVSSYSA-N	304.268	1.917	50	20	DDGD	
CC(C)CC(=NNC(=O)[C@H]1CCC(=O)N1)c1ccc(F)cc1	863150842	COBCLAHDUSFMOC-CYBMUJFWSA-N	305.353	1.971	50	20	DDGD	
CC(C)c1[nH]nc(C(=O)NN[C@@H](C)C(F)(F)F)c1[N+](=O)[O-]	862315325	UHLLWKQSVRIXHK-YFKPBYRVSA-N	309.248	1.627	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@H]1CCN(CC2CC2)C1	866754302	MZBLKBNBZKZHAK-LBPRGKRZSA-N	308.875	1.655	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1ccc2c(c1)OCCO2	767396105	MFJMSUJZLRSMOI-UHFFFAOYSA-N	314.345	1.572	50	20	DDGD	
COCCOc1cccc(C(=O)NN=c2cc[nH]c(C)c2)c1	862510771	SNQYJUOYALARMR-UHFFFAOYSA-N	301.346	1.594	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)CCc1cnn(C)c1	862287318	QWLFXQASNPYRRV-UHFFFAOYSA-N	316.361	1.653	50	20	DDGD	
C[C@](O)(CNC(=O)CCCC[C@@H]1CCSS1)C(=O)O	769742203	JLOAFXLUCGNHFD-SKDRFNHKSA-N	307.437	1.652	50	20	DDGD	
CC[C@H](Cc1ccccc1)C(=O)NNC(=O)COCCOC	869910426	SCUBQCFWCMHEEC-CQSZACIVSA-N	308.378	1.066	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1coc(C2CCOCC2)n1	768207124	MTNSTIPPCZLKEU-UHFFFAOYSA-N	322.752	1.796	50	20	DDGD	
COc1cc(CC(=O)NN=c2cc[nH]c(C)c2)cc(OC)c1O	862512288	PBKSDMRPTSUNLN-UHFFFAOYSA-N	317.345	1.221	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccc(Cl)cc1O)C1CCC1	863859847	XMWMVAQNBQLSQM-UHFFFAOYSA-N	311.769	1.291	50	20	DDGD	
O=[N+]([O-])c1cccc(F)c1OS(=O)(=O)CBr	766562449	ANCSHKUGYXRBPO-UHFFFAOYSA-N	314.088	1.795	50	20	DDGD	
CN(N=Cc1csc(-c2ccc3c(c2)OCO3)n1)C(N)=O	767911055	LKXKDWJHEQAKKZ-UHFFFAOYSA-N	304.331	1.883	50	20	DDGD	
CCC(C#N)(CC)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	861567165	CKVGYIVXFGCWOK-UHFFFAOYSA-N	318.333	1.898	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NC1(C(N)=O)CCCC1	768143025	JXKFAQAPNNLXOE-QMMMGPOBSA-N	305.216	1.710	50	20	DDGD	
C[C@@H](NNC(=O)[C@@H]1CCCN1c1ncccn1)C(F)(F)F	862307839	REFWBZSCOMGVJN-BDAKNGLRSA-N	303.288	1.017	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@@H]1c1ccc(F)cc1)c1cn[nH]c1	1118863774	BSRVXQUNPLFRKF-CYBMUJFWSA-N	317.324	1.740	50	20	DDGD	
Cc1ccc(C=NNC(=O)CNC(=O)c2cccnc2)s1	763192553	HJPCOILNXWRXJS-UHFFFAOYSA-N	302.359	1.332	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2c(Cl)cccc2Cl)CN1	763611962	AYBFBBUPGBZTLL-ZETCQYMHSA-N	302.161	1.963	50	20	DDGD	
COCCOCC(=O)NN=Cc1cnc(-c2ccccc2)s1	872402505	FPESTJHZBRRDKI-UHFFFAOYSA-N	319.386	1.923	50	20	DDGD	
CC(C)[C@@H]1CCCCC1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	764680379	DHSSYPWIGKJDMW-NEPJUHHUSA-N	315.439	1.675	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H]2CCSC2)c1	762036351	NDWJUOGDGRBHPF-GFCCVEGCSA-N	322.386	1.052	50	20	DDGD	
O=C1C[C@H](C(F)(F)F)[C@@H](C(=O)NNc2ccc(F)cc2)CN1	873925568	SWHJKFZAQJCERL-UWVGGRQHSA-N	319.258	1.583	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC/C=C\C2CC2)c(OC)c1	1117863405	PLPWCBFKCRRXGU-ARJAWSKDSA-N	319.361	1.614	50	20	DDGD	
O=C(NN=C1CCCc2c(F)cccc21)[C@H]1CCS(=O)(=O)C1	872339739	XCDAQBNPRWNUIH-JTQLQIEISA-N	324.377	1.417	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl	879499645	AJTIKUBDZIAJQY-UHFFFAOYSA-N	302.718	1.863	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)COCCOC)C12CCCCC2	872401668	DYFXSDATTOJZMI-CQSZACIVSA-N	312.410	1.881	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)/C=C\[C@H]2CCOC2)c1	873776895	IEBJKWDCTWZEKJ-FJOGCWAESA-N	305.403	1.905	50	20	DDGD	
CCCc1ncc(C(=O)NNc2nncc(N)c2Cl)s1	1116299706	HZBQNGPRPLFKTR-UHFFFAOYSA-N	312.786	1.878	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@H](CC)c1cc(F)ccc1F	775454100	KQNGYQLOKLBGDC-NOZJJQNGSA-N	313.348	1.951	50	20	DDGD	
CCCOc1cccc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC)c1	772023303	QHCKSDAQBQMPMW-NSHDSACASA-N	322.361	1.578	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccnn1C(CC)CC	772209170	YXGVBLRWNZKGOE-SNVBAGLBSA-N	324.381	1.347	50	20	DDGD	
CC(=O)CCCC(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874951957	UYSSSVBCBFWTEA-UHFFFAOYSA-N	322.434	1.830	50	20	DDGD	
O=C(NN=Cc1cn(C[C@H]2CCCO2)nn1)OCC(F)(F)F	872391503	ZZTGVLGYCXNTMH-SECBINFHSA-N	321.259	1.080	50	20	DDGD	
C[C@H](CBr)COC(=O)CN(C)[C@@H]1CCSC1	770406496	BPQNCWBEUKMOKU-NXEZZACHSA-N	310.257	1.998	50	20	DDGD	
C[C@@H]1CCC[C@H](OCC(=O)NNc2cc(Cl)nc(N)n2)C1	779376747	ZWVDZGJDICKXMK-BDAKNGLRSA-N	313.789	1.751	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CSc2ncco2)cc1	772243955	BAMYBIRPYUTLHV-UHFFFAOYSA-N	302.315	1.100	50	20	DDGD	
Cc1cc(=NNC(=O)NCCc2sc(C)nc2C)cc[nH]1	875259918	XUTBDDIQWHLMQK-UHFFFAOYSA-N	305.407	1.754	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Cc2ccccc2C(=O)O)n1	777358461	WVKAPSASXREYRV-UHFFFAOYSA-N	300.318	1.477	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1nc2ccccc2s1)[C@H](C)O	881466800	ARVNPAREYLUXHF-IUCAKERBSA-N	307.375	1.464	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cnc(O)c(C(F)(F)F)c1	887154245	DCIQHLBUXDROPW-UHFFFAOYSA-N	315.251	1.371	50	20	DDGD	
CCOc1cnc(C(=O)NNc2cnnc3ccccc23)cn1	779377104	IPNVDFHGROIETD-UHFFFAOYSA-N	310.317	1.575	50	20	DDGD	
COC(=O)c1cc(CN2CC=C(C#N)CC2)cc(C(=O)OC)c1	779587458	NRQIVBHDMOPNGC-UHFFFAOYSA-N	314.341	1.915	50	20	DDGD	
CN(CCCF)C(=O)NNC(=O)c1cc(Br)c[nH]1	884017402	WBBPWMOGBFWTTP-UHFFFAOYSA-N	321.150	1.423	50	20	DDGD	
Cc1ccc2nc(C=NNC(=O)c3sc(N)nc3C)cn2c1	788974393	CACTXEYYKJBEPJ-UHFFFAOYSA-N	314.374	1.754	50	20	DDGD	
CC[C@@H](C)[C@@H](C)C(=O)OCC(=O)NNC(=O)c1cccs1	780241449	QCCDFBTYSMZBHR-NXEZZACHSA-N	312.391	1.735	50	20	DDGD	
CCN1CCOC[C@@H]1C(=O)NNc1ccc(F)cc1Cl	885137033	MIDWQBHEGIKUKE-GFCCVEGCSA-N	301.749	1.643	50	20	DDGD	
CC(=O)N[C@H](CC1CCC1)C(=O)NNC(=O)NC1CCCCC1	786635848	FBAJXYFVUXYWLY-CQSZACIVSA-N	324.425	1.344	50	20	DDGD	
COc1ccc(C)nc1NC(=O)NNc1ncncc1Cl	782073125	PTZQVJXKYYMSTM-UHFFFAOYSA-N	308.729	1.991	50	20	DDGD	
O=C(NNc1cc(Br)ccc1F)[C@@H]1C[C@H]1[N+](=O)[O-]	885148820	GGTKQOPVZXBOCL-HZGVNTEJSA-N	318.102	1.697	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@]2(C)CCCO2)c1	780842809	MWJODHYQSFVIOU-HNNXBMFYSA-N	307.350	1.668	50	20	DDGD	
C[C@]1(Cn2nnnc2N2CCC(F)CC2)C[C@H]1Br	1120227346	VJMQMVKIDKTHOE-MWLCHTKSSA-N	318.194	1.785	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cc(C#N)ccc2C)ncn1	783945040	FSLGYSJFMWQCQI-UHFFFAOYSA-N	310.317	1.047	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2ccc(Br)nc2)CO1	784780973	ARIOHPQXKUBQIH-JGVFFNPUSA-N	300.156	1.712	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2ccc(C)nc2)cc1	783035627	XZYYMVGCIOGBJL-UHFFFAOYSA-N	300.318	1.480	50	20	DDGD	
CC1(C)CC(CNC(=O)NNc2ccc(-n3cccn3)nn2)C1	780877692	KQGJIXBKOUUZSD-UHFFFAOYSA-N	315.381	1.725	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2cc(Cl)ccn2)n(C)n1	784861516	LFEFVRDUJKOUPP-UHFFFAOYSA-N	322.756	1.113	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cc2ccccc2c(=O)o1	797707978	ZAGUOOIGFNYGAN-UHFFFAOYSA-N	300.314	1.744	50	20	DDGD	
CN1CCC[C@H](N(C)C(=O)NC[C@@]2(C)C[C@H]2Br)C1	895921517	DUFIQCFQUNQMML-DMDPSCGWSA-N	318.259	1.896	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	799914532	QTFXAVJWNRPGKX-UHFFFAOYSA-N	321.280	1.297	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cnn(C(CC)CC)c1CC	792264590	UJEJGWPYDDZPQY-UHFFFAOYSA-N	323.397	1.303	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)[C@@H]1CCC(F)(F)C1	798128406	IRRVHJQGDWYCHR-MRVPVSSYSA-N	300.334	1.835	50	20	DDGD	
CCc1ccnc(CNC(=O)NNC(=O)Cc2cccnc2)c1	798064216	SVUOFFWAIQNDQH-UHFFFAOYSA-N	313.361	1.112	50	20	DDGD	
O=C(NN=C[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCc2nncn2C1	793132471	WGRCUTRHHKVIPH-KKUMJFAQSA-N	309.373	1.746	50	20	DDGD	
CCn1cc(C=NNC(=O)N2CCN(C)CC2)c2ccccc21	790174150	PCYRAUUSNSSFSM-UHFFFAOYSA-N	313.405	1.952	50	20	DDGD	
CN1CCCC(C)(C)[C@@H]1CNS(=O)(=O)CBr	790451659	UASSTPFCRVFPID-VIFPVBQESA-N	313.261	1.379	50	20	DDGD	
O=C(c1cc(Br)cs1)N1CC[C@@H](B(O)O)C1	585077347	RLAPLNLYBHMCIK-ZCFIWIBFSA-N	303.974	1.200	50	20	DDGD	
CCC(=O)c1cccc(NC(=O)C(=O)NNc2ncccn2)c1	1320386464	NRYCKXVWDUCZFH-UHFFFAOYSA-N	313.317	1.151	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCc2nc(C3CC3)no2)c1	1328765474	WISNUTXBFPJOCC-UHFFFAOYSA-N	321.362	1.461	50	20	DDGD	
COc1ccc(-n2ccc(C(=O)NNc3ccn(C)n3)n2)cc1	1339437750	JMMMCPKQHVDOQJ-UHFFFAOYSA-N	312.333	1.371	50	20	DDGD	
N#Cc1cc(C(=O)NNc2cncc(Br)c2)c[nH]1	1254304013	VUWCTYQXCDZLSZ-UHFFFAOYSA-N	306.123	1.801	50	20	DDGD	
CC1(C)CNC[C@H]1NC(=O)NNc1ncnc2ccsc12	1337037348	PNEPGXVTXUDBDF-SECBINFHSA-N	306.395	1.315	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](C(=O)NNc2nccnc2C2CCC2)C1	1336493543	AQLKNLSHOINGCX-PHIMTYICSA-N	304.350	1.386	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1c(C)cccc1Cl	1349088660	GWSSOYWLXUHCFY-UHFFFAOYSA-N	321.764	1.538	50	20	DDGD	
CC[C@@H](C)C[C@H](N)C(=O)NNc1ncc(Br)cn1	1263152532	LRXTXOGQEOKKJS-APPZFPTMSA-N	316.203	1.446	50	20	DDGD	
CC(C)n1cc2c(n1)[C@H](NCc1ccccc1B(O)O)CCC2	1349621181	PLPPSVMOYWTOOX-MRXNPFEDSA-N	313.210	1.311	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)[C@@H]2CCc3nnc(O)n3C2)c1	1346936544	XEQMWOFVBDWFNM-SECBINFHSA-N	305.313	1.137	50	20	DDGD	
Cn1ccc(CCC(=O)NNc2cccc(F)c2C(=O)O)n1	1600976671	UXJRSZNDWQTZCG-UHFFFAOYSA-N	306.297	1.333	50	20	DDGD	
CC(C)(CNC(=O)NNc1ccc(C(C)(C)C)nn1)CC(=O)O	1603632049	GYGGZLZPGRLLIK-UHFFFAOYSA-N	323.397	1.901	50	20	DDGD	
Cn1c(NNC(=O)c2cc(C(=O)O)co2)nc2ccccc21	1600921838	MKSDJBXUXRRUEQ-UHFFFAOYSA-N	300.274	1.621	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@H]2CC[C@H]3CCCCN32)c1	1602448446	NVGHKIOPLKQTEW-ZIAGYGMSSA-N	303.362	1.845	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)c2cc(-c3nn[nH]n3)ccn2)c1	1609398304	MWJPVULXRUUHRY-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
Cn1cccc(NC(=O)NNc2ccc(CC(=O)O)cc2)c1=O	1600979144	BLQOPXUTBMCXKI-UHFFFAOYSA-N	316.317	1.161	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)[C@H]1CCCC[C@H]1C(=O)O	1601561881	GHHGPXNTJOZDND-VHSXEESVSA-N	302.334	1.897	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1nc2c(s1)CC[C@@H](C(=O)O)C2	1605618278	ICDUTBXVLIWHRQ-XZZQCUQZSA-N	321.358	1.715	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1F	1602447558	GNSSPLYMKFEKGJ-MWODSPESSA-N	308.309	1.782	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1ccc(SC(F)F)cc1	1608754478	HYYUODZYYQNUIS-UHFFFAOYSA-N	303.290	1.719	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1cnc2n1CCCC2	1606528433	GKTRXCSMHPGYOA-UHFFFAOYSA-N	301.306	1.070	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CCC[C@@H]2CC(=O)O)c1	1600648120	OSHQVTZBXDBQKS-SECBINFHSA-N	311.363	1.350	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)C2CCN(C3CC3)CC2)cc1F	1610835728	RNCHEFNIVJZFJC-UHFFFAOYSA-N	321.352	1.841	50	20	DDGD	
Cc1ccc(F)c(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)c1	1549319119	SOVXMOCLYHIHEH-DZGCQCFKSA-N	305.353	1.447	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@H]2C[C@H](N)C2(C)C)c2ccccc21	1579953313	SNSCVTPYDRRCCV-OCCSQVGLSA-N	314.389	1.313	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)CC1CC(N)C1	1579155831	VPMKNAVZLOXNRI-UHFFFAOYSA-N	311.769	1.237	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H](N)C2CCCCC2)ccc1F	1578860363	OKUOREPLYOHKCA-AWEZNQCLSA-N	323.368	1.963	50	20	DDGD	
C/C(=C\CNS(=O)(=O)c1ccc(CCl)cc1)C(=O)O	1588982701	XVFJDMNSFQGHBN-RMKNXTFCSA-N	303.767	1.735	50	20	DDGD	
C/C(=C/c1ccccn1)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1588773340	XEOALJYOTMRBSF-KHPPLWFESA-N	321.344	1.808	50	20	DDGD	
CC(C)/C=C/C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2	1846752900	VHLSBNPTDGTBII-ITKZLYELSA-N	314.813	1.002	50	20	DDGD	
N#C[C@H]1CNCC12CC(C(=O)NNc1ccc(F)c(F)c1)C2	1580042971	FVSDEALLZQPYPC-VOZQYIJBSA-N	306.316	1.547	50	20	DDGD	
CO[C@@H](CC(=O)NNc1ccc(F)c(C(=O)O)c1)C(F)(F)F	1599042170	AASPCPMKDYVILQ-VIFPVBQESA-N	324.230	1.934	50	20	DDGD	
CCc1cccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)n1	1590894205	VABRNVUNWBUHKZ-UHFFFAOYSA-N	309.333	1.581	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1ccc(C(=O)O)n1C	1592617656	ZYXQWHMWJBZTOY-GFCCVEGCSA-N	320.393	1.295	50	20	DDGD	
Cc1ccccc1C(=O)NN=Cc1cccc(-c2nn[nH]n2)c1	1592250819	GFTLLRPRJJZSRM-UHFFFAOYSA-N	306.329	1.939	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)O)c(F)c1)c1cccc(F)n1	1776093667	DHIQHJIJYVYEPC-UHFFFAOYSA-N	305.240	1.822	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=C1CCCc2ncc(C(=O)O)cc21	1776082398	OCJFFHUUPAIGBP-GXSJLCMTSA-N	317.345	1.361	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl)c1cocn1	1796803944	KOXYRFHKIWFYIT-DKIAZLNASA-N	315.732	1.461	50	20	DDGD	
CCNC(=S)NNC(=O)COc1ccc2ccccc2c1	5795324	SQYDGYYTLZELRM-UHFFFAOYSA-N	303.387	1.734	50	20	DDGD	
C=CCC(CC=C)C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1	160499301	MNOYFCJYFJDXJZ-ZIAGYGMSSA-N	323.437	1.402	50	20	DDGD	
O=C(NNc1ncccn1)Nc1cnn(CC(F)(F)F)c1	160534445	LOHTXZIFHPVUJL-UHFFFAOYSA-N	301.232	1.384	50	20	DDGD	
C[C@@H](O)CCN(C)S(=O)(=O)c1ccc(CCCl)cc1	159009648	KIKGGLAAJSPKRQ-LLVKDONJSA-N	305.827	1.859	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cn2nc(C)cc2C)cc(Cl)n1	159690017	UANYDJOPCUJLOZ-UHFFFAOYSA-N	321.768	1.318	50	20	DDGD	
O=S(=O)(CBr)NC[C@H](O)c1ccsc1	230723056	QQZAQPZWHRKCGD-ZETCQYMHSA-N	300.199	1.053	50	20	DDGD	
CN1CCN(S(=O)(=O)CBr)c2ccccc21	127465517	RUPGCGMKFXLMBT-UHFFFAOYSA-N	305.197	1.625	50	20	DDGD	
O=C1CN(CCI)[C@@H]2CCCC[C@@H]2N1	190936569	GFTCKYUJIIZVFO-DTWKUNHWSA-N	308.163	1.164	50	20	DDGD	
CN(C[C@@H]1CCNC(=O)CC1)NC(=O)OCc1ccccc1	859386709	ZPIKBOMQWWORQI-ZDUSSCGKSA-N	305.378	1.676	50	20	DDGD	
C=C(CBr)n1cc(CNC(=O)C(F)(F)F)nn1	881316110	MPEBVFXPGGIBTH-UHFFFAOYSA-N	313.077	1.322	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccccc2-n2ccnc2)nn1	106266280	KIBRFPWGSRAHCH-UHFFFAOYSA-N	323.360	1.797	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cccc3cn[nH]c23)c1	103437110	LZGCDLZPFHQGOJ-UHFFFAOYSA-N	305.297	1.509	50	20	DDGD	
C[C@@H](OCC1CC1)C(=O)NNc1nc(-c2ccncc2)no1	102186028	KSXMFSKQPCVXKQ-SECBINFHSA-N	303.322	1.390	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC(C)(C)C)c(N)c([N+](=O)[O-])c1	104898770	AWKNYZILTZCUAJ-UHFFFAOYSA-N	308.338	1.683	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCc1ccc(OC)c(F)c1	53755631	FJQGBNHQCIVAOF-UHFFFAOYSA-N	311.382	1.448	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cn2ccc3ccccc32)n(C)n1	104632321	PBFCBQJJBNELEE-UHFFFAOYSA-N	311.345	1.144	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)c2cc(C)n[nH]2)c2ccccc21	178009203	NDTLJSZVJWWREG-UHFFFAOYSA-N	311.345	1.768	50	20	DDGD	
Cc1cc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)sc1C	122588602	OMYINQJUBGDFQI-NSHDSACASA-N	316.448	1.471	50	20	DDGD	
CCN(CC)C[C@@H]1CCN(S(=O)(=O)CCCCCl)C1	154474301	SQRBSIVDXMRHEI-ZDUSSCGKSA-N	310.891	1.999	50	20	DDGD	
COc1ccc(-c2cc(C(=O)NNc3cccnn3)[nH]n2)cc1	177919987	OFSGONCGANMOQO-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H]1CCCN1Cc1ccccc1	63661856	LINBQFKMLUVWOP-CQSZACIVSA-N	304.394	1.390	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1c(C)noc1C1CC1	129519524	OBSVKMXYMCQQBW-UHFFFAOYSA-N	315.329	1.944	50	20	DDGD	
CC(C)(C)n1nccc1NC(=O)C(=O)NNc1ccccc1	185221915	QJSNZRHYXPRMFI-UHFFFAOYSA-N	301.350	1.720	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)c2cccc(F)c2)[nH]n1	120051789	XSQYQWIAQDPUBX-UHFFFAOYSA-N	304.325	1.596	50	20	DDGD	
CC[C@H]1C[C@@H](C(=O)NNC(=O)COCc2ccccc2)CCO1	180226315	RMEBGFFTLWYMQC-GJZGRUSLSA-N	320.389	1.556	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCC1CCN(CC(F)(F)F)CC1	187015017	PBNAVYBHOUKUNU-FMIVXFBMSA-N	319.327	1.821	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H](C)c2c(C)noc2C)n1	73234141	SMBNRRSQPLQYCP-ZETCQYMHSA-N	306.326	1.477	50	20	DDGD	
CC1(C)C[C@@H]1C(=O)NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1	128557008	JURAUVAZCAVZNV-SECBINFHSA-N	318.381	1.364	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@H]2C[C@@]2(C)C(C)C)c1	188294273	ZUTVMELYPOMCST-PBHICJAKSA-N	319.405	1.937	50	20	DDGD	
COc1nccnc1NNC(=O)c1cnn(-c2ccccc2C)c1	132161343	JAPUDQMZOIEBFG-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)C[C@@H]2CCC[C@H](C)C2)n1	133932093	VUNAVWYKEQAEKJ-SMDDNHRTSA-N	306.410	1.864	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1CCN2CCCC[C@H]12	47106015	LNEQEXZXGRZWJU-LSDHHAIUSA-N	316.405	1.566	50	20	DDGD	
CCCc1csc(NC(=O)NNC(=O)c2ccncc2)n1	184023714	KWKHQXQLBHSTEP-UHFFFAOYSA-N	305.363	1.957	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1cnc2ccc(F)cc2c1	89494979	HGCQXGXAGNRFRW-UHFFFAOYSA-N	323.291	1.797	50	20	DDGD	
O=C(Cc1c[nH]c2ncccc12)NNC(=O)c1ccccc1O	132380158	RPQWMTPRIWLDMY-UHFFFAOYSA-N	310.313	1.272	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C(=O)N2CCCC2)c1Cl	132485619	BJTFIWBZACKGIN-UHFFFAOYSA-N	309.753	1.032	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)C(=O)Nc2ccnn2C(C)C)c1	190461898	KKWRTWXBGNGZBE-UHFFFAOYSA-N	319.340	1.993	50	20	DDGD	
Cc1cncc(NC(=O)C(=O)NNc2cc(F)c(F)cc2F)c1	190493173	CMGQJSVEEKNBFA-UHFFFAOYSA-N	324.262	1.889	50	20	DDGD	
O=C(Cn1cc([N+](=O)[O-])ccc1=O)NNc1ccc(F)cc1	195338971	QXXVIAINJVXRQL-UHFFFAOYSA-N	306.253	1.039	50	20	DDGD	
CCC(=O)N1CCC[C@H](C(=O)NNC(=O)CC2CCCC2)C1	195208207	BPDZWQYHECRVHQ-ZDUSSCGKSA-N	309.410	1.363	50	20	DDGD	
O=C(C[C@H]1CCCCO1)NNC(=O)c1cc(Cl)ccc1O	88281360	NOTPVVYZAHXGIV-SNVBAGLBSA-N	312.753	1.766	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCOC2(CCCC2)C1	139697548	ALLFHRYJZHNIME-ZDUSSCGKSA-N	311.426	1.213	50	20	DDGD	
CC(C)(C)OC(=O)NNS(=O)(=O)c1cc(F)cc(F)c1	192725902	YSOQRIQTBVFJEL-UHFFFAOYSA-N	308.306	1.683	50	20	DDGD	
CC(=O)NC[C@@H]1CCCN(CCI)C1	190838538	KCUIQQWHGHIFTR-JTQLQIEISA-N	310.179	1.270	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)c1ccc(Cl)cc1OC	192849800	GKNKOUFOPCHUPQ-CMPLNLGQSA-N	312.753	1.535	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C[C@H]1CCCOC1	195012040	VJRKNYPGGKSYBQ-VXGBXAGGSA-N	324.352	1.557	50	20	DDGD	
O=C(COc1cc(Cl)cc(Cl)c1)NNC(=O)C1CC1	266232888	MIQPEZHSHXLUGP-UHFFFAOYSA-N	303.145	1.930	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1c[nH]c2ccccc12)[C@H]1CCOC1	266481938	CDCDQVVEENVCEU-QWRGUYRKSA-N	316.361	1.537	50	20	DDGD	
CCc1ccc([C@@H](COC)NC(=O)NNC(=O)CC(C)C)o1	266450065	BQKLTXFGSAZTGM-GFCCVEGCSA-N	311.382	1.906	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@@H](C)C(=O)OC(C)C	266547678	HVPHENKLEFYWBM-GFCCVEGCSA-N	321.377	1.527	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@@H]1CCSC1	266636694	XMKAPTJVFKVNKQ-LLVKDONJSA-N	309.391	1.074	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@H](CNC(=O)OC(C)(C)C)C1CC1	265903678	OVEZNMMBULWATB-CNELAYHGSA-N	323.393	1.850	50	20	DDGD	
C[C@@H](CCOc1ccccc1)C(=O)NNC(=O)N1CCOCC1	266654858	GBAAVCAKNURHEK-ZDUSSCGKSA-N	321.377	1.165	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNC(=O)CC(C)C)ccc1C	273536925	XNQVRSZAXKROGU-UHFFFAOYSA-N	307.350	1.980	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	279120421	ADEGGEDAKXZGQS-SECBINFHSA-N	303.315	1.291	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccc(C(=O)NC2CC2)cc1	273361211	VYTDMOKXVHSOST-UHFFFAOYSA-N	316.361	1.532	50	20	DDGD	
COc1cc(OC)cc(OS(=O)(=O)CBr)c1	271404367	OLBMMYJKXQCNMP-UHFFFAOYSA-N	311.153	1.765	50	20	DDGD	
CCOC(C)(C)CNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	275419949	AEPFRFMMZHQBRH-UHFFFAOYSA-N	324.337	1.354	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@@H]1CCO[C@H](C)C1	271307609	RWWJCAHVIVWQEY-VXGBXAGGSA-N	306.366	1.898	50	20	DDGD	
O=C(NNC(=O)c1cc(O)cc([N+](=O)[O-])c1)NC1CCCCC1	274598831	KADPVBWNWHCVNA-UHFFFAOYSA-N	322.321	1.577	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)o1	370257954	ZOWDOOPWFKTGAK-UHTWSYAYSA-N	321.377	1.736	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccccc2F)c(C(C)(C)C)n1	271135258	SEAMDHQPIYNDKB-UHFFFAOYSA-N	318.352	1.932	50	20	DDGD	
C[C@@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)CCCCCl	375620478	XEKRXJGWYGQHEA-OLZOCXBDSA-N	308.875	1.894	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@](C)(O)C2CC2)c1C	288454007	TXHDGYQYONMVQB-SJKOYZFVSA-N	320.389	1.379	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H]2CCC(=O)c3ccccc32)n1	284199364	ZBNAORIFRHDXPN-LBPRGKRZSA-N	312.329	1.689	50	20	DDGD	
CN(C)c1ccccc1CN(C)S(=O)(=O)CBr	288705392	XBJHIRXSSPGESA-UHFFFAOYSA-N	321.240	1.867	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@H]2COc3ccccc32)o1	289433096	RISBRFHTZZSVMB-LLVKDONJSA-N	315.329	1.708	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1NC(=O)NNc1ccc(-n2ccnc2)nn1	287172184	SRHWRAYJSBOBHU-NEPJUHHUSA-N	315.381	1.867	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1nc2cccnc2s1	295301708	FCQYHJZVLGOGFU-SECBINFHSA-N	306.347	1.021	50	20	DDGD	
Cc1oc(-c2ccco2)nc1CC(=O)NNC(=O)CC(C)C	299514859	GCTWGIWQUCADMF-UHFFFAOYSA-N	305.334	1.979	50	20	DDGD	
C=CCNC(=S)NNC(=O)C(C)(C)c1ccc2c(c1)OCO2	292348540	PPIKXXUKOMQCKN-UHFFFAOYSA-N	321.402	1.374	50	20	DDGD	
CCOc1ccc(CNC(=O)NNC(=O)CC(C)C)cc1OC	298640628	BXKVYHOAOUFTDI-UHFFFAOYSA-N	323.393	1.970	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C2CC2)cc1	291483224	RKCISFZCXCXCNQ-UHFFFAOYSA-N	303.362	1.517	50	20	DDGD	
N#CC[C@@H](CC(=O)NNC(=O)N=c1cc[nH]cc1)c1ccccc1	802036244	RVGRYXQVSKBBMJ-AWEZNQCLSA-N	323.356	1.744	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCc2cnn(C)c2)cc1	297173086	UAJQHQMBTHGGAD-UHFFFAOYSA-N	303.366	1.688	50	20	DDGD	
O=C(NCc1cnn2ccccc12)NNC(=O)C1CCCC1	805351828	OAFUMXNSMDNIMT-UHFFFAOYSA-N	301.350	1.355	50	20	DDGD	
Cc1cc(=O)c(C(=O)NN=c2cc[nH]cc2Cl)cn1C1CC1	807045821	FSHIZGHVAGOYRZ-UHFFFAOYSA-N	318.764	1.719	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1ccccc1-n1cnnn1	808247778	OUQVDJLRAYYSJI-UHFFFAOYSA-N	300.149	1.538	50	20	DDGD	
O=C(Cc1noc2ccccc12)NNC(=O)N=c1cc[nH]cc1	802022508	BNEYTZYDDLYCEA-UHFFFAOYSA-N	311.301	1.040	50	20	DDGD	
C[C@@H]1C[C@H](c2cccnc2)N(CC(=O)NNC(=O)C(C)(C)C)C1	805750310	ZHJNLVPZYWSIJI-TZMCWYRMSA-N	318.421	1.658	50	20	DDGD	
CC(=NNC(=O)c1ccccn1)c1cccc(-n2ccnn2)c1	807941977	BYXCJMXWHJDVNA-UHFFFAOYSA-N	306.329	1.816	50	20	DDGD	
C=CCC(C)(C)C(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C	293377135	CVGWNUYGSDNRPX-SNVBAGLBSA-N	313.398	1.649	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)[C@@H]3CCCN3C)cc2C1	299502401	ICRMDESSFWLYDK-JQWIXIFHSA-N	321.446	1.728	50	20	DDGD	
Cc1cc(F)c(CC(=O)NNC(=O)[C@H]2CCCCO2)cc1F	295271686	BXAKLYSNVRZEBB-CYBMUJFWSA-N	312.316	1.532	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@@H]2CCc3ccccc32)O1	297576901	OTUFHDZFUOFCSJ-GDLCADMTSA-N	303.362	1.572	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@H](C1CC1)C(F)(F)F	808865917	IHODGGNTOISVOR-ZCFIWIBFSA-N	307.194	1.610	50	20	DDGD	
Cc1c(CC(=O)NNc2nc(-c3ccccc3)no2)cnn1C	815547115	GXNISNJDISFHGJ-UHFFFAOYSA-N	312.333	1.464	50	20	DDGD	
O=C(NNC(=S)NC1CCC1)c1nnc(-c2ccccc2)o1	814195125	JJLWCCXRECTXGZ-UHFFFAOYSA-N	317.374	1.398	50	20	DDGD	
Cn1c(NNC(=O)[C@@H]2CC23CCOCC3)nc2ccccc21	816578103	LVPFRMNRJGFXAD-NSHDSACASA-N	300.362	1.833	50	20	DDGD	
CCNC(=O)NNC(=O)C1(Cc2ccc(F)cc2)CCOCC1	814626431	MKBPHWVRYBYQFP-UHFFFAOYSA-N	323.368	1.515	50	20	DDGD	
CCc1ccc(C#CC(=O)NNc2ccc(C(=O)OC)cn2)cc1	815878342	BTJMDPOBGQTZOA-UHFFFAOYSA-N	323.352	1.925	50	20	DDGD	
Cc1cc(Cn2nnc(C(=O)NNc3ccccc3)c2C)on1	815849678	JKVSPHMROYKHOZ-UHFFFAOYSA-N	312.333	1.688	50	20	DDGD	
COc1cc(C=NNC(=O)CC2CC2)ccc1OCC(=O)O	814989809	WDDFDJOPJVXYSX-UHFFFAOYSA-N	306.318	1.409	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H]1CCCN1C1CC1	819710508	JPNUNBCEAMHERR-ZDUSSCGKSA-N	321.352	1.682	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2cnn(C)n2)c1	814703414	CIMGFWHUYZSQNU-UHFFFAOYSA-N	315.377	1.776	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCSC1)Nc1ccc2c(c1)OCO2	813574519	BYYYHPMATVZYGV-VIFPVBQESA-N	323.374	1.711	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)NOC/C=C\Cl	811871063	OQZZZDSRZZILCM-YWEYNIOJSA-N	313.741	1.470	50	20	DDGD	
CCN(CCO)NC(=O)c1nn(-c2ccc(Cl)cc2)cc1O	823865139	KHYRFBJZSUORET-UHFFFAOYSA-N	324.768	1.190	50	20	DDGD	
CCn1ccc(CNC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)n1	491132818	NXJIUOIKEHRIOT-AUWJEWJLSA-N	322.372	1.645	50	20	DDGD	
C[C@]1(C(=O)NNc2ncncc2F)CCOc2ccccc21	820386097	LJAVNWQKDMVOPI-HNNXBMFYSA-N	302.309	1.799	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccnn1-c1ccccn1	496975694	CNYTZCSYAOPQHN-UHFFFAOYSA-N	318.337	1.829	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1coc(-c2cccnc2)n1	821750255	CTHNVJCWXKJIRY-UHFFFAOYSA-N	300.318	1.688	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)CN1[C@H](C)CC[C@H]1C	822727558	CQXWYXWZDBXOSS-GHMZBOCLSA-N	323.368	1.928	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(CN(C)C(=O)C(C)C)cc1	496842034	VPIVQPGQZPHTPU-UHFFFAOYSA-N	321.377	1.644	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NNC(=O)N(C)C	495859926	URJSUIRFGSGHBP-JTQLQIEISA-N	316.402	1.324	50	20	DDGD	
CCc1ccc(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)s1	825659985	DYWRQDGSWIBUJL-SKDRFNHKSA-N	311.407	1.566	50	20	DDGD	
CCc1oc(/C=C(\C#N)C(=O)N[C@H](C)COC)cc1C(=O)OC	490911590	VJKYELVCNZZFOK-VUUNSECVSA-N	320.345	1.687	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCc1ccc(OC(F)F)cc1	823976176	AGUKNJUSKORSMX-SNVBAGLBSA-N	302.321	1.564	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1cccc(C#N)c1	826113528	CPMGPBGUILBHQP-COPLHBTASA-N	316.361	1.375	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)o1)[C@@H]1Oc2ccccc2[C@@H]1C	585025758	BWSBKHBPMBZDIV-XMZIXOGTSA-N	301.151	1.002	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C)[C@@H]1CCc2ccccc2C1	827821478	OXPXKJNLOMUMSZ-OAHLLOKOSA-N	303.406	1.279	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2CCc3ccc(O)cc32)n1	822683218	AGOBZCUFCKCKRA-GFCCVEGCSA-N	315.333	1.504	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)N[C@H]2C=CCC2)nc2ccccc21	821091688	DVXSBYJCIGHLEW-NSHDSACASA-N	313.361	1.165	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC[C@@H]1/C=C/c1ccccc1	828755701	PJHFNSXAJCQITR-SIFUEBAJSA-N	315.417	1.968	50	20	DDGD	
Cc1cc([C@@H]2CCCN2C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)on1	827316048	YLHKOXFPWOEDRK-TUAOUCFPSA-N	322.365	1.286	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc([C@H]2CCCOC2)nn1C	496369788	ZBIIRMRSMYTBLJ-VIFPVBQESA-N	311.342	1.097	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC(OC)C2)c1C	490663596	KJJYDLRJFYZTEE-OVCLIPMQSA-N	317.389	1.516	50	20	DDGD	
CCN(C(=O)c1cc(B(O)O)ccc1F)[C@@H]1CCCC[C@H]1C	584940080	OYAJAOWNZOSZKL-IAQYHMDHSA-N	307.174	1.546	50	20	DDGD	
C[C@H]1CN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C[C@@H](C)S1=O	490977496	UACLOOBMTAFDPR-RTSMYPOGSA-N	318.398	1.667	50	20	DDGD	
CC[C@@H](C)CC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C	495900323	AHXAQHPMBSSGKI-SNVBAGLBSA-N	316.402	1.278	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(Oc2ccccc2)nc1	823971463	UPCXMULMLUXFFV-GFCCVEGCSA-N	301.346	1.831	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)CC(C)(C)O)cc1F	822648631	DRXSVXKZLHSTLA-UHFFFAOYSA-N	315.370	1.313	50	20	DDGD	
C[C@]1(C(=O)N2CCO[C@@H](C(F)(F)F)C2)C[C@H]1Br	906766604	BBSYGGFDVFEXEZ-BHNWBGBOSA-N	316.117	1.950	50	20	DDGD	
CCS[C@H]1CCC[C@@H](NC(=O)c2ccc(B(O)O)cc2)C1	584960478	LUIAZEJOZHAVPN-KGLIPLIRSA-N	307.224	1.161	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(C)nc3cc(C)nn23)nc(C)n1	736710421	PWMDIDYSYVVVDO-UHFFFAOYSA-N	311.349	1.510	50	20	DDGD	
C[C@@H]1CCCCN1[C@H](C)CNC(=O)NNC(=O)OC(C)(C)C	490652727	SCSBKUBAHUMIHB-VXGBXAGGSA-N	314.430	1.988	50	20	DDGD	
O=C(COc1ccc(Cl)cc1)NN=Cc1ccc(CO)o1	739401951	YMDOELWYILZUFP-UHFFFAOYSA-N	308.721	1.954	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C1CCC[C@@H]1NC(=O)OC(C)(C)C	494694061	OEOFLQGGNNAVBL-NSHDSACASA-N	321.381	1.881	50	20	DDGD	
COCCOCCC(=O)NNc1ccc(C(=O)OC)c(F)c1	837051732	NDZFGUBBEPCKCT-UHFFFAOYSA-N	314.313	1.109	50	20	DDGD	
CCn1nc(C(=O)NNC2=N[C@H]3C=C[C@H]2C3)c2ccccc2c1=O	739401101	USQXPTCAFMSXLC-QWRGUYRKSA-N	323.356	1.008	50	20	DDGD	
CC[C@H](O)[C@@H](C)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	900697210	ILWOHUSINBTHLY-RISCZKNCSA-N	316.361	1.040	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NN=Cc1ccc(C(=O)O)[nH]1	833442876	RCBSRSISXBRGMN-UHFFFAOYSA-N	324.337	1.078	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NC[C@@H]1CC1(C)C	732893460	PQTMRWWPNYWFHS-QWRGUYRKSA-N	323.368	1.970	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)C1(C(=O)NC2CC2)CC1	734551506	BBSLDPWEPDEBHG-UHFFFAOYSA-N	313.279	1.606	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)Nc1ccccn1	730818838	VSYNPTQANPJYEA-UHFFFAOYSA-N	302.290	1.019	50	20	DDGD	
COc1ccc(OC(C)C)c(NCc2cccc(B(O)O)c2)c1	585013325	RBQWRMSZKHJHTQ-UHFFFAOYSA-N	315.178	1.774	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H]2CCc3c[nH]nc3C2)cc1	838515662	YXZZRBXZUPDNQY-ZDUSSCGKSA-N	315.377	1.992	50	20	DDGD	
O=C(CN1Cc2ccccc2C1=O)NNc1ccc(Cl)nn1	735685845	CROMXEVAYPBOPR-UHFFFAOYSA-N	317.736	1.229	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cnc2ccsc2c1	833246972	VWZADCZFMJIJEJ-LLVKDONJSA-N	305.359	1.626	50	20	DDGD	
CCNC(=O)N(C)N=C[C@H](C)c1ccc(S(C)(=O)=O)cc1	834967772	SLCZBTSIUHOGGN-NSHDSACASA-N	311.407	1.841	50	20	DDGD	
Cc1cccc(C=NNC(=O)C(=O)NC2CC2)c1Br	901159419	PSBZORCFJWDYFA-UHFFFAOYSA-N	324.178	1.486	50	20	DDGD	
CC1(C)C[C@H](CNC(=O)NNC(=O)[C@@H]2CCCCO2)CCO1	836676969	OVTHQTZZEDVBIC-NEPJUHHUSA-N	313.398	1.091	50	20	DDGD	
O=C(CSc1ccc(O)cc1)NNC(=O)[C@@H]1CCCCO1	833779755	YEKCGQFLJCWWQI-LBPRGKRZSA-N	310.375	1.201	50	20	DDGD	
Cc1ccc(NNC(=O)NCCc2cccc(F)c2F)nn1	732824843	VIWFCPJEORGGQX-UHFFFAOYSA-N	307.304	1.932	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)[C@H]1CCN(c2ccccc2)C1	833237049	XVPRLMKQPLBVMP-ZFWWWQNUSA-N	317.389	1.229	50	20	DDGD	
O=C(N[C@@H]1CC[C@@H](Cc2ccccc2)C1)c1cccc(B(O)O)c1	584979069	KDKCXTCGKLONNL-MAUKXSAKSA-N	323.201	1.508	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O	919702381	HPWGVKGENSKSLG-CYBMUJFWSA-N	321.352	1.372	50	20	DDGD	
CC(C)c1ccc(NNC(=O)Cn2cc([C@@H](C)O)nn2)cc1	837054788	WFTYRENEQNYXKF-LLVKDONJSA-N	303.366	1.598	50	20	DDGD	
Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)NN)cc1	917371561	FMDXGNIAAXPAAY-UHFFFAOYSA-N	323.349	1.538	50	20	DDGD	
CC(C)(CCCO)CNC(=O)NNc1cccc(C(=O)O)c1	833457005	MWYDBWZKBHEYNV-UHFFFAOYSA-N	309.366	1.810	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=Cc2ccc([N+](=O)[O-])o2)c1	916314557	JRTKEWRNBJKHPV-UHFFFAOYSA-N	319.273	1.969	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)CN2CCCC2=O)c(OC)c1	916357762	JKGRRZRGWNHRJE-UHFFFAOYSA-N	319.361	1.166	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCCn2cccn2)cc1	747622619	LXWMESPFOISXPN-UHFFFAOYSA-N	300.362	1.687	50	20	DDGD	
O=C1CCC(=NNC(=O)c2cc(-c3ccccc3)on2)CCN1	834937170	LHORVNHBMLVOOC-UHFFFAOYSA-N	312.329	1.728	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)cs1	916318000	ZYUJLBIZHHJCLW-UHFFFAOYSA-N	320.330	1.758	50	20	DDGD	
O=C(Cc1ccncc1)NN=Cc1ccc(-n2ccnc2)cc1	747642195	PJEBRAPYWAMIOZ-UHFFFAOYSA-N	305.341	1.960	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2ccc(-n3cnnn3)cc2)c1	748030112	LSLDNFSIRMFZGV-UHFFFAOYSA-N	305.301	1.291	50	20	DDGD	
Cc1cc(C(=O)N(C)CC(Cl)Cl)ccc1-n1cnnn1	848081318	RWZAJPXXQCARNM-UHFFFAOYSA-N	314.176	1.846	50	20	DDGD	
O=C(CCn1cccc1)NNC(=O)c1ccc2ccccc2n1	746090572	CWHXOUWBOKOPLP-UHFFFAOYSA-N	308.341	1.888	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2nc(C(F)(F)F)cs2)o1	747590285	GUPOIGMZFWWDEJ-UHFFFAOYSA-N	320.252	1.611	50	20	DDGD	
O=C(CC1(O)CCCC1)NNC(=O)c1ccc(Cl)cc1O	749208501	PTOBHOQUHGQTTA-UHFFFAOYSA-N	312.753	1.502	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)c2ncccn2)c(C)c1	841583095	RGMINYJETKVCHQ-UHFFFAOYSA-N	313.361	1.280	50	20	DDGD	
Cc1nc2n(n1)C[C@@H](NC(=O)NNc1cc(F)ccc1F)CC2	916379113	XCGIMDPUKCCPPU-JTQLQIEISA-N	322.319	1.506	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C	910141443	SZXBSOWBDLSMEO-WDEREUQCSA-N	302.415	1.334	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)COc1cccc(C(F)(F)F)c1	910183756	TZTLCJZADDJYQY-VIFPVBQESA-N	306.284	1.428	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)n[nH]2)o1	843974974	PUUPUBAPCBXTDI-UWVGGRQHSA-N	318.333	1.164	50	20	DDGD	
COc1ccc(-c2ocnc2C(=O)NN(C)C[C@@H](C)O)cc1	910154000	BIHLORIIVOYYTO-SNVBAGLBSA-N	305.334	1.308	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(O)nc2)c2ccccc2n1	917365387	JMXNIPPWTIEFMB-UHFFFAOYSA-N	322.324	1.719	50	20	DDGD	
CC(C)(C)[S@@](=O)CCNC(=O)NNC(=O)C1CCCC1	741411234	IUHRIRCXOXLOPW-FQEVSTJZSA-N	303.428	1.054	50	20	DDGD	
CCc1noc2ncc(C(=O)NNc3nccc(OC)n3)cc12	918399493	KJCCPFQDQFDZSI-UHFFFAOYSA-N	314.305	1.341	50	20	DDGD	
CCOc1ccc(C[C@H](C)C(=O)NNC(=O)NC2CC2)cc1	840287938	AYVKHTRNNQSRJX-NSHDSACASA-N	305.378	1.757	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc2c1OCC2(C)C	843652388	AXDPDJMMDGDSLW-WDEREUQCSA-N	318.373	1.543	50	20	DDGD	
NCC[C@H](NC(=O)NNc1ccc([N+](=O)[O-])cc1)C(F)(F)F	841332941	KABMDJPNCMXTGU-VIFPVBQESA-N	321.259	1.501	50	20	DDGD	
CN(C)N(C(=O)[C@@H]1CC12CCCC2)[C@H]1CCS(=O)(=O)C1	747297657	KSNNDHFMLFIAHL-RYUDHWBXSA-N	300.424	1.059	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1nc2ccccc2n1C	842553426	FJHANXQYDCQYLJ-VXGBXAGGSA-N	300.362	1.839	50	20	DDGD	
CCOCCOCCNC(=O)NNc1c(F)cccc1F	927532150	VADXMKYURHNUFV-UHFFFAOYSA-N	303.309	1.644	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1ccccc1OCC(=O)O	842555433	OEZCAGGNQIXAQB-ZYHUDNBSSA-N	306.318	1.025	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(OC)cc1OC	748260003	OFZUKKSZMMTBTM-NSHDSACASA-N	310.350	1.205	50	20	DDGD	
CNC(=O)NN=C(C)c1ccc(S(=O)(=O)CC(F)F)cc1	741763072	ZVVKFAXYTMQWHO-UHFFFAOYSA-N	319.333	1.378	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@@H](CO)C[C@H]1CCCO1	923740284	IIYIIJUMLUETNA-GMTAPVOTSA-N	322.243	1.842	50	20	DDGD	
Cn1nc(CNC(=O)NNc2ccc(Cl)nn2)cc1C1CC1	927645395	OSBYLJJRVKEOSW-UHFFFAOYSA-N	321.772	1.567	50	20	DDGD	
CCNC(=O)NNC(=O)CCCCC(=O)c1ccc(OC)cc1	759369118	LVOCLVYTVYYLLA-UHFFFAOYSA-N	321.377	1.789	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)CCl)CC[C@@H]1C(=O)OC(C)(C)C	859307751	IUFBXYHURQRPCZ-UWVGGRQHSA-N	311.831	1.812	50	20	DDGD	
Cn1nncc1NNC(=O)C1CCC(OC[C@H]2CCCO2)CC1	857270697	LGMAEGMXMZJBBS-WXRRBKDZSA-N	323.397	1.013	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(C(=O)NC2CC2)cc1	920829387	DRCJSEHQWMONRL-UHFFFAOYSA-N	318.377	1.248	50	20	DDGD	
CCON1CCC(CC(=O)NNc2ncc(F)cc2F)CC1	854900009	YUDNZUQIRDPJAW-UHFFFAOYSA-N	314.336	1.857	50	20	DDGD	
C[C@@]1(CNC(=O)c2cc(C(N)=O)cs2)C[C@H]1Br	857403957	VVHCWSWEVHOOAR-KCJUWKMLSA-N	317.208	1.750	50	20	DDGD	
N#CCOc1cccc(NC(=O)NNC(=O)CC(F)(F)F)c1	755935098	YFTOOZGENHVWKZ-UHFFFAOYSA-N	316.239	1.694	50	20	DDGD	
Cc1cccc2c1O[C@H](C(=O)NNC(=O)OCC(F)(F)F)C2	856025890	DIWWTFLALIBNEG-VIFPVBQESA-N	318.251	1.618	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)OCC(F)(F)F)cc1	856027089	YZBVBRJSLNEHPO-UHFFFAOYSA-N	306.240	1.694	50	20	DDGD	
C[C@]1(C(=O)O)CCN(C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	857100256	FGFBLFLRUGODHT-KPXOXKRLSA-N	319.199	1.666	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)C(C)(C)C)c1cncs1	853409418	YQYBGYVBVYFGPN-UHFFFAOYSA-N	310.423	1.926	50	20	DDGD	
Cc1cccc(CC(=O)NNC(=O)Cc2cc[nH]n2)c1Cl	754216102	MYMJJMHGSZRRKH-UHFFFAOYSA-N	306.753	1.304	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cnc2[nH]nnc2c1	755221915	XKSZZXARYLURSM-UHFFFAOYSA-N	315.245	1.489	50	20	DDGD	
O=C(CNC(=O)c1c(F)cccc1Cl)NNc1ccncn1	857520790	NSDMEUWZBFVUJZ-UHFFFAOYSA-N	323.715	1.142	50	20	DDGD	
Nc1cccc([N+](=O)[O-])c1C(=O)NNC(=S)NCC1CCC1	855089262	JOLLNCHPIWLJRD-UHFFFAOYSA-N	323.378	1.086	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)c2c[nH]c3ccccc23)[C@H]1C	858158360	HOSCJOVUZKDWDC-ZVXAKGHKSA-N	315.373	1.988	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1ccc(O)cc1F	758381325	RRDNQKGISCFSBO-UHFFFAOYSA-N	316.292	1.405	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)c1cccc(F)n1)N1CCCCC1	856423771	CGPWXLZUAGPZKC-CQSZACIVSA-N	322.384	1.492	50	20	DDGD	
C[C@]1(CNC(=O)NNc2ccc([N+](=O)[O-])cc2F)CCOC1	853732162	WRFRTTSGVHVJKS-CYBMUJFWSA-N	312.301	1.787	50	20	DDGD	
CN(NC(=O)c1nn(-c2ccc(F)cc2F)cc1O)C1CC1	854984491	CWBYORHZXBMLST-UHFFFAOYSA-N	308.288	1.595	50	20	DDGD	
CC[S@@](=O)CCNC(=O)NNc1cc(F)cc(Cl)c1	853779363	UCZGGMUATVWLPU-LJQANCHMSA-N	307.778	1.874	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2C[C@]23CCCNC3)C[C@@H]1Br	857007056	DFWBKNBGUOXORH-DJIHRAIXSA-N	301.228	1.666	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCOc1ccc(F)c(Cl)c1	854925229	AQXPKRSRDBEMSW-UHFFFAOYSA-N	319.789	1.715	50	20	DDGD	
CCC(=NNC(=O)COc1ccccc1F)c1nccn1C	755510707	JUDBVDBXUXPKPK-UHFFFAOYSA-N	304.325	1.869	50	20	DDGD	
CCC(=NNC(=O)COc1ccccc1OC)c1nccn1C	755505502	SKMSJJAFTFBBPM-UHFFFAOYSA-N	316.361	1.738	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@H]1OCCc2ccccc21)C1CC1	855099007	PRQIPQMKKKLFPZ-YGRLFVJLSA-N	319.430	1.594	50	20	DDGD	
COCCCOCCC(=O)NNc1ccc([N+](=O)[O-])cc1C	854457421	GUDXGYNKCAXOIL-UHFFFAOYSA-N	311.338	1.790	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)COc2ccc(F)cc2)[C@H]1C	858144820	VIEBUZCNKLKCBA-ZVXAKGHKSA-N	324.352	1.411	50	20	DDGD	
C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@@]1(C)C[C@@H]1Br	857404319	TZUALDIRKMMGDJ-MWODSPESSA-N	319.243	1.827	50	20	DDGD	
CCCn1nccc1C=NNC(=O)COc1ccccc1O	853351754	STIMSOMZHRKXDZ-UHFFFAOYSA-N	302.334	1.528	50	20	DDGD	
CC[C@@]1(C)CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C1	758742222	VMBSMAGXBATKHJ-KRWDZBQOSA-N	314.389	1.441	50	20	DDGD	
C[C@H]1CC[C@H](NC(=O)NNC(=O)c2ccc(Cl)cc2)CN1	861685840	RILFVUDUAXRQOA-CABZTGNLSA-N	310.785	1.425	50	20	DDGD	
Cc1nc(C(C)(C)C)sc1C(=O)NNC(=O)c1cn[nH]c1	862474814	PWNBLAXCCGROKW-UHFFFAOYSA-N	307.379	1.547	50	20	DDGD	
COC1CC(C(=O)NNc2ccc(Br)nc2)C1	863871878	FMLVSXIGSHGCQS-UHFFFAOYSA-N	300.156	1.712	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NC[C@H]1CC[C@H](CN)CC1	866765392	XHLXFUAAQYTBSI-HAQNSBGRSA-N	310.891	1.936	50	20	DDGD	
COC[C@H](NS(=O)(=O)CC(C)(C)CCl)[C@H]1CCCO1	867207759	VIIFXJIBTNHWJS-WDEREUQCSA-N	313.847	1.365	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccnn2C2CCCC2)cc1	765336212	GKZJKOWTYGHNEF-UHFFFAOYSA-N	323.356	1.945	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2ccc(F)c(Cl)c2Cl)N1	863153729	ZYDCGVMHKTYEBW-QMMMGPOBSA-N	318.135	1.861	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCn3cccc3C2)cc1	932527947	ORQNADBQXQZDCC-UHFFFAOYSA-N	312.373	1.073	50	20	DDGD	
CC(C)C1(C(=O)NNc2ccc(C(F)(F)F)nn2)COC1	935081179	XXIWZYBHQZUNSS-UHFFFAOYSA-N	304.272	1.611	50	20	DDGD	
COc1cc(C)c(C(C)=NNC(=O)[C@H]2CCC(=O)N2)cc1C	863152877	HCRYNCSREBHJDI-CYBMUJFWSA-N	303.362	1.431	50	20	DDGD	
CC(C)(NC(=O)C(F)(F)F)C(=O)NNC(=O)CC1CCCC1	760811526	QODDJHVOSWDSDE-UHFFFAOYSA-N	323.315	1.171	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1cnc2nccnc2c1	760368775	SLXYDBMYJHBXIJ-UHFFFAOYSA-N	300.709	1.830	50	20	DDGD	
COCc1ccc(C=NNC(=O)COc2ccc(C#N)cc2)o1	764666499	SHBMNHOYNPXQLR-UHFFFAOYSA-N	313.313	1.827	50	20	DDGD	
COc1cccc(NNC(=O)Nc2nc(C)ccc2OC)n1	765294396	DXTQRYBWDACYAP-UHFFFAOYSA-N	303.322	1.951	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCc2c(F)cccc21	763921978	ZHJINXUATBATCI-LLVKDONJSA-N	307.369	1.770	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2occ3c2CCOC3)c1	862479375	LSXIMTRVKKYRQA-UHFFFAOYSA-N	306.343	1.797	50	20	DDGD	
CCNCC1CCN(S(=O)(=O)CC(C)(C)CCl)CC1	866741318	DFBDQXXGPLEWKV-UHFFFAOYSA-N	310.891	1.903	50	20	DDGD	
Cc1cc2cc(C(=O)NNC(=O)[C@H]3CCC(=O)N3)oc2cc1C	862456663	QRKNIXUUBGGIAU-LLVKDONJSA-N	315.329	1.089	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(C(F)(F)F)cn1)[C@H]1CCC(=O)N1	860938290	UJUQDEGXPCOJNX-IONNQARKSA-N	316.283	1.458	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1ccc(C)cc1Cl	762063371	AJIHPOIKZDHNEV-UHFFFAOYSA-N	313.785	1.558	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCOCC12CCCC2	762927699	ULTVGLYWPMMZTM-CYBMUJFWSA-N	311.426	1.213	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)CN2CCCC2)cc1	873770840	AFPPSTSFJLUBQG-UHFFFAOYSA-N	322.434	1.499	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C/CCc1ccccc1	870033694	RJYGARNVBRUEIQ-YQCJOKCJSA-N	318.373	1.665	50	20	DDGD	
COc1ccc(F)cc1CN1CCN(C(=O)CCl)CC1	1116434276	ONPNFWJYYDWTNF-UHFFFAOYSA-N	300.761	1.717	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)NCC(F)F	879759645	VRGZAGBEGPMGEI-UHFFFAOYSA-N	317.292	1.060	50	20	DDGD	
CS[C@H](C)CCC(=O)NNc1nc(O)c2cnn(C)c2n1	773378035	ASLBPHQVQMVSGW-SSDOTTSWSA-N	310.383	1.044	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@]1(C)CCCOC1	873768869	FMLIYQXJRGFPDN-HNNXBMFYSA-N	323.418	1.830	50	20	DDGD	
COc1ncncc1NC(=O)C(=O)NNc1c(C)cccc1F	770815966	VVNXYUZASNBLEK-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1cc(O)ccc1F	872388776	NAQQMSXJKXCEAJ-ABAIWWIYSA-N	321.352	1.235	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2cc(Cl)ccc2Cl)C1=O	773460375	XNTORCVAEAJQTQ-MRVPVSSYSA-N	302.161	1.915	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(-n2cccc2)ccc1F	1116565060	GOVQICRSBHYLPR-UHFFFAOYSA-N	306.297	1.416	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)COc2cc(C)cc(C)c2)C1	875906622	RYGQOWVNUSZJHD-JOCQHMNTSA-N	321.377	1.190	50	20	DDGD	
Cc1ocnc1CNC(=O)NNc1ccccc1S(C)(=O)=O	770807681	PGBZBIPBROJXQI-UHFFFAOYSA-N	324.362	1.213	50	20	DDGD	
CS(=O)(=O)CCCCCNC(=O)NNc1ccc(F)cn1	773706085	UCRYEAOKJZCOKW-UHFFFAOYSA-N	318.374	1.062	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2c(Cl)cccc2Cl)C1=O	773369493	VYROWQPZSMXVRB-SSDOTTSWSA-N	302.161	1.915	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874951601	PNFOJVDBCBGJSD-QWHCGFSZSA-N	322.434	1.495	50	20	DDGD	
CCC(C)(C)N[C@H](C)C(=O)NNC(=O)c1cccc(C#N)c1	772850070	BEOUXDHSXIUSCF-LLVKDONJSA-N	302.378	1.486	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(-c2cncnc2)cc1F	773800863	VDSIJEVRAJHQHC-UHFFFAOYSA-N	317.324	1.637	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CCC(=O)c2ccccn2)cc1	770228947	SUAADHPWULVTDD-UHFFFAOYSA-N	322.324	1.377	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccccc1OC	887150747	WBKDKNLFSVRJRF-UONOGXRCSA-N	300.358	1.750	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccc(O)c([N+](=O)[O-])c1	776179942	CFMCRJCVAOZAHU-UHFFFAOYSA-N	313.273	1.934	50	20	DDGD	
COCC1(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)CC1	778532196	OYODKGRFRUSIKE-UHFFFAOYSA-N	301.346	1.284	50	20	DDGD	
CC(=O)N1CC[C@@](C)(C(=O)OC[C@@H](C)CBr)C1	770393051	UYBCJMAAJDPQOO-JOYOIKCWSA-N	306.200	1.819	50	20	DDGD	
CC(C)Oc1cccc(CC(=O)NNC(=O)c2cccnn2)c1	882058313	GQMZTQLUDHZSKL-UHFFFAOYSA-N	314.345	1.268	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CC1CCN(CC(F)F)CC1	887151889	NWVLUDHZVOZZPH-UHFFFAOYSA-N	315.364	1.305	50	20	DDGD	
COC(=O)CCCONC(=O)/C(C#N)=C\c1ccc(F)cc1	888817051	XMHFOXFDVFECDE-XFXZXTDPSA-N	306.293	1.734	50	20	DDGD	
CC(C)N1CCC(NC(=O)COC(=O)/C(C#N)=C/C2CC2)CC1	786678034	NPVJNHXLFCVRNC-NTEUORMPSA-N	319.405	1.379	50	20	DDGD	
C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)CBr	788914331	VWZFLDQRDGBUCN-ZJUUUORDSA-N	313.261	1.379	50	20	DDGD	
O=C(NNc1cc(Br)ccc1F)[C@H](O)C1CC1	885147527	IGOIMICRTQVMAN-SNVBAGLBSA-N	303.131	1.802	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1nc2c(s1)C[C@@H](CC)CC2	789730736	ZRJQVCGBRVCNAL-QMMMGPOBSA-N	324.406	1.154	50	20	DDGD	
COc1ncccc1NC(=O)C(=O)NNc1cccnc1Cl	784842401	SLRUHJRYMYLSPU-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
N#Cc1ccc(N2CCC[C@@H]2C(=O)NN=c2cc[nH]cc2)cc1	780761424	SPZQJDBAVCQQFV-MRXNPFEDSA-N	307.357	1.487	50	20	DDGD	
CSc1nnc(CNC(=O)NNC(=O)C2CCCC2)s1	783060174	UBDDVLIXJXDETG-UHFFFAOYSA-N	315.424	1.281	50	20	DDGD	
O=C(NCc1ccc2c(c1)CCO2)NNc1ncncc1Cl	780977154	HOYHMEDNHOCKIO-UHFFFAOYSA-N	319.752	1.891	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNc1nnc(-c2ccccn2)s1	788567259	YIDCJVBHGNAOIE-JTQLQIEISA-N	307.379	1.858	50	20	DDGD	
Cc1conc1NC(=O)C(=O)NNc1cccc([N+](=O)[O-])c1C	784351067	AYOFRWCHNBOJFF-UHFFFAOYSA-N	319.277	1.281	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)NC[C@@H](C)C#N)cc2C1	781948531	ARDGZLZMURCNKX-UWVGGRQHSA-N	320.418	1.977	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1cncc2ccccc12	784794487	LQOFXIPWHODPFX-UHFFFAOYSA-N	307.313	1.712	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H]1CCC[C@H](C(N)=O)C1	786866169	SOCJWAMFZWGBBG-UWVGGRQHSA-N	322.317	1.801	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1c(F)cccc1Br	780705891	IDTCHHAUHMCTHN-UHFFFAOYSA-N	318.146	1.894	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCN2CCC[C@H]2C)c1	897491076	CBKGPQIKUBWIGL-GFCCVEGCSA-N	320.393	1.584	50	20	DDGD	
N#Cc1cccc(NNC(=O)CCc2ccccc2C(N)=O)c1	792260822	PVYSNVVEOXNBMT-UHFFFAOYSA-N	308.341	1.733	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCc2ccc(C)c(F)c2)n1	792797460	NCUBLGHGGVZQTC-UHFFFAOYSA-N	316.336	1.982	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@H]1CCC2(CCCCC2)O1	790631318	CTJCRAZCBOQEOH-GFCCVEGCSA-N	313.398	1.235	50	20	DDGD	
CN1CCC[C@H]1c1cc(C(=O)NNc2ccc(C#N)cc2)n[nH]1	897150393	PQVIZKHXAJZVPR-HNNXBMFYSA-N	310.361	1.805	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@H]2N(C)CCCC2(C)C)o1	790544197	VMSAKTGLOAOGIV-CYBMUJFWSA-N	322.409	1.652	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCc2c(C)n[nH]c2C)n1	794078348	YJTUSZAQXSJYLQ-UHFFFAOYSA-N	301.350	1.124	50	20	DDGD	
O=C(CC1OCCO1)NNC(=O)CC12CC3CC(CC(C3)C1)C2	792803793	FIJMHAXDFLFPTB-UHFFFAOYSA-N	322.405	1.503	50	20	DDGD	
Cc1cc2n[nH]cc2cc1NC(=O)C(=O)NNc1ncccc1C	792375241	GEBDPIZHWXKQDR-UHFFFAOYSA-N	324.344	1.657	50	20	DDGD	
COc1cccc(C=NNC(=O)C(=O)Nc2ccc(C)cc2)n1	790150077	UJRFALMDMSQGNO-UHFFFAOYSA-N	312.329	1.487	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(C#N)c1)N(C)CC(F)(F)F	793705993	VLHFBEYRQWHMGH-VIFPVBQESA-N	300.284	1.884	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NNc1ccc(Cl)nn1	798095988	WLQGJRFWXOXWJQ-CABZTGNLSA-N	311.773	1.737	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(C)c(C#N)c2)n1	799407390	SQCDPCYCBCHAKC-UHFFFAOYSA-N	311.345	1.141	50	20	DDGD	
COc1nccnc1NNC(=O)c1[nH]nnc1-c1ccccc1	791224437	ALGZZIISUMGDRH-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
O=C(NNC(=O)c1ncsc1C(F)(F)F)c1ccncc1	792006380	SHPJWRIWKIMNSR-UHFFFAOYSA-N	316.264	1.632	50	20	DDGD	
CC[C@H]1CCC[C@@H]1NCC(=O)NNC(=O)c1ccc(C#N)cc1	794576290	RSPSTPDHVOBDAX-ZFWWWQNUSA-N	314.389	1.488	50	20	DDGD	
C=C(CBr)COC(=O)c1ccc(S(N)(=O)=O)o1	795439717	XUBXWJONTRUQEO-UHFFFAOYSA-N	324.152	1.035	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccc(F)cc1Br	1319232534	CRVCNZIUVGWMFH-UHFFFAOYSA-N	303.087	1.211	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CNc2ccccc2)ccc2cncn12	1319991235	ZKNRMGADBJNXKF-UHFFFAOYSA-N	323.356	1.516	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cnc(C3CC3)[nH]2)cc1	1319088797	MHCJDPYEDYTPLE-UHFFFAOYSA-N	314.345	1.436	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccccc1N1CCCC1=O	1321718611	LPMYKBZFIUCMIS-UHFFFAOYSA-N	320.418	1.331	50	20	DDGD	
CC1(CCNC(=O)C(=O)NC[C@]2(C)C[C@H]2Br)CC1	1329538984	JIBODAJJOBOAPK-RNCFNFMXSA-N	317.227	1.583	50	20	DDGD	
Cc1oc(CNS(=O)(=O)CBr)cc1C(=O)O	280912326	AIYJYBAUVFLRPA-UHFFFAOYSA-N	312.141	1.058	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H](C)CNC(=O)OC(C)(C)C	1322037565	VUDYKUHIIFRWIO-SECBINFHSA-N	318.443	1.051	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCCN1CCC(O)CC1	1326721351	LIEVTQVPZHSNGS-SDNWHVSQSA-N	317.364	1.306	50	20	DDGD	
C=C[C@@H](COC)NC(=O)NNC(=O)c1c[nH]c2ccccc12	1325616314	UXUKRVKNUXUBFO-JTQLQIEISA-N	302.334	1.313	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccncc1C(F)(F)F	1322037629	YIIGKYCRSQRBPC-UHFFFAOYSA-N	306.313	1.618	50	20	DDGD	
Cc1c(Cl)cccc1NC(=O)NNC(=O)C1CCNCC1	1327417021	XNMCMDLFYXDPHC-UHFFFAOYSA-N	310.785	1.801	50	20	DDGD	
CC1(N2CCCC2)CCC(=NNC(=O)Cc2cc[nH]n2)CC1	1331331355	XXOKHEUBRWGWSY-UHFFFAOYSA-N	303.410	1.853	50	20	DDGD	
CC(=O)Nc1cccc(C(=O)NNC(=O)C2CCOCC2)c1C	1332675419	ZKFRVOULOFCTIX-UHFFFAOYSA-N	319.361	1.141	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cnoc2C(C)C)cc1	1346231153	VPRZGLZVGCQRNL-UHFFFAOYSA-N	303.318	1.881	50	20	DDGD	
CN(C)c1cnc(C(=O)OC[C@@]2(C)C[C@@H]2Br)cn1	1348963104	YVKYNZXZLRRBRV-JOYOIKCWSA-N	314.183	1.873	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCCCC2CCNCC2)n1	1263085918	OKTBGJFBXZVPDH-UHFFFAOYSA-N	321.425	1.797	50	20	DDGD	
COCCn1cc(C(=O)OC[C@@]2(C)C[C@@H]2Br)nn1	1345220233	PPFJLYTUFURRSO-GXSJLCMTSA-N	318.171	1.255	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H]2COc3ccc(F)cc3C2)cc[nH]1	1348389474	VYEILHKTAGAVRG-GFCCVEGCSA-N	301.321	1.645	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2cnn(CCO)c2)cc1	1519861799	DGBXYBKEEOJPSN-UHFFFAOYSA-N	302.378	1.930	50	20	DDGD	
O=C(CCCn1ccc(C(=O)O)n1)NNc1cccc(F)c1	1608307132	NEZWVVVOGIYLNY-UHFFFAOYSA-N	306.297	1.644	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1n[nH]cc1-c1nn[nH]n1	1606336732	JPSCOHXXSLPBLV-UITAMQMPSA-N	324.279	1.275	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](C(=O)O)c1ccc(F)c(C)c1	1605618477	KRBQYNONJRZBRQ-RUNBWSAHSA-N	306.293	1.820	50	20	DDGD	
O=C(O)Cc1ccc(NC(=O)NN=c2cc[nH]cc2)cc1F	1602125062	OPXIKGUUBHHAEY-UHFFFAOYSA-N	304.281	1.418	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)[C@H]1CC[C@@H]2CCCCN21	1602471812	QHTKCJBNSQQUQK-SMDDNHRTSA-N	303.362	1.845	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2nccnc2C2CCC2)o1	1602324690	XRXAZRDPZNRTKP-UHFFFAOYSA-N	302.290	1.792	50	20	DDGD	
CC1CCN(CC(=O)NNc2ccc(F)c(C(=O)O)c2)CC1	1609860739	QIBUMSFUVXHKMC-UHFFFAOYSA-N	309.341	1.699	50	20	DDGD	
Cc1ccnc(O)c1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1605959197	CXWDLUDBEMGZIR-UHFFFAOYSA-N	311.305	1.033	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ccc(/C=C/C(=O)O)o2)n1	1601220904	ZOEYIBCQNQXGGZ-DUXPYHPUSA-N	323.696	1.160	50	20	DDGD	
O=C(/C=C/C1CCOCC1)NNc1cccc(C(=O)O)c1F	1601232578	NJKVMYCLOFUKOP-SNAWJCMRSA-N	308.309	1.950	50	20	DDGD	
CC(C)[C@H]1C[C@H]1C(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1603751457	HWBPUDFWAGTNPJ-GHMZBOCLSA-N	311.407	1.872	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2coc(/C=C\C(=O)O)c2)n1	1574507163	OUXIIEXPAKIIJI-UPHRSURJSA-N	323.696	1.160	50	20	DDGD	
CC(C)(C)c1csc(C(=O)NNC(=O)[C@H]2CCCNC2)n1	1575282277	NNHYOMSCSZOZNI-VIFPVBQESA-N	310.423	1.201	50	20	DDGD	
BrC[C@H](CN1CC[C@]2(CNCCO2)C1)C1CC1	1574449025	VYMSTRSLJZUPGP-OLZOCXBDSA-N	303.244	1.472	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC2(CCNCC2)C[C@H]1C	1575522317	JLFDMEFQYLAPGW-ZIAGYGMSSA-N	324.469	1.032	50	20	DDGD	
CCCC[C@H](N)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	1577410584	PPPOARULYCUVFG-AWEZNQCLSA-N	315.377	1.151	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2(N)CC3(CCC3)C2)cc1F	1578871372	XIDXJEYGMIRQQQ-UHFFFAOYSA-N	321.352	1.717	50	20	DDGD	
CC(C)(Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@@H]1CCN1	1575390490	WHTDTRYTLGKMGJ-NSHDSACASA-N	311.769	1.007	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@H]1CNc2ccccc21	1580724027	XSVKLYGDLSHCIJ-LBPRGKRZSA-N	300.318	1.319	50	20	DDGD	
C/C(=C/c1ccncc1)C(=O)NNc1cccc(-c2nn[nH]n2)c1	1588772748	RFSQVNFISUGJFH-LUAWRHEFSA-N	321.344	1.808	50	20	DDGD	
NCC(=O)NNC(=O)Cc1coc2c(Cl)c(Cl)ccc12	1580210995	RXHASSWUFIORQR-UHFFFAOYSA-N	316.144	1.388	50	20	DDGD	
C/C=C/C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Br)C1	1845220007	VALUIFOLWOMVNX-XCRNYIDWSA-N	319.174	1.456	50	20	DDGD	
CCc1cc(CC(=O)NNc2ccc(CC(=O)O)cc2)n(C)n1	1597471608	WSYCDSGYDCRHMB-UHFFFAOYSA-N	316.361	1.295	50	20	DDGD	
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ccc(C(=O)O)c(F)c1	1596677909	QEFXUXJDOJDEHL-VHSXEESVSA-N	324.308	1.556	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1cc(C(F)(F)F)n[nH]1	1594781983	ZPCBWIVYIKFUAP-UHFFFAOYSA-N	315.211	1.279	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CC[C@H]2C(=O)O)c1F	1593898244	RLROTCKMYUAHFH-JGVFFNPUSA-N	310.281	1.166	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2cccc3ncnn23)cc1	1776101756	XCESYXCGWAMXFI-UHFFFAOYSA-N	309.285	1.191	50	20	DDGD	
CCCCC(=O)NN=Cc1ccc(OCC(=O)O)c([N+](=O)[O-])c1	1776035911	PHMWSPVHFZEVPY-UHFFFAOYSA-N	323.305	1.699	50	20	DDGD	
Cc1oc(C=NNC(=O)[C@@H]2CCN2C(C)(C)C)cc1C(=O)O	1776098291	FOZYBEHEPDSDTR-LBPRGKRZSA-N	307.350	1.609	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C\c1cccc2[nH]nc(C(=O)O)c12	1776825495	LSKGRJIIDFFTIR-YFHOEESVSA-N	319.342	1.950	50	20	DDGD	
Cc1cnccc1CCNC(=O)NNC(=O)c1ccc(C#N)cc1	164122548	FRJHTIDSDCCAMT-UHFFFAOYSA-N	323.356	1.448	50	20	DDGD	
Cn1cc(C(=O)NNc2nc(C(F)(F)F)cs2)ccc1=O	152880078	VAPFCYNCKAIMAJ-UHFFFAOYSA-N	318.280	1.618	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CC[C@@H]2CCOC2)n1	155704778	BNSIQELGHLFFKZ-GFCCVEGCSA-N	307.398	1.583	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc(CN(C)C)cc2)n1	159965070	GJMZZQYPBNVDJJ-UHFFFAOYSA-N	301.350	1.304	50	20	DDGD	
COc1ccc(C(=O)N/N=C2/C(=O)Nc3cc(F)ccc32)cc1	7712318	SORGSBGHLUCZJB-UHFFFAOYSA-N	313.288	1.921	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc(-n2ccnc2)nc1	103198644	OZSNXNDATOJFHH-UHFFFAOYSA-N	301.350	1.465	50	20	DDGD	
CCc1nc(CCNC(=O)NNC(=O)OC(C)(C)C)cs1	102575428	QGXYYXWFESTLOE-UHFFFAOYSA-N	314.411	1.987	50	20	DDGD	
CC[C@H](C)NC(=O)CCNC(=O)NNC(=O)c1ccccc1F	56917294	VVDJAYPUHLVRGB-JTQLQIEISA-N	324.356	1.075	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)C1C[C@@H]2CCC[C@H](C1)C2=O	173942915	FVPZYLQPIRYYPV-ULKQDVFKSA-N	314.349	1.191	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H]2C[C@H]2C2CC2)c1	177610066	KULDXEKIMVPICK-LSDHHAIUSA-N	302.374	1.876	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)COc1ccc([N+](=O)[O-])cc1	103199099	OHCXHQSMKMTQMS-UHFFFAOYSA-N	309.322	1.557	50	20	DDGD	
C=CCNC(=S)NNC(=O)C[C@H](C)Cc1ccccc1OC	107360203	AGCAQARTNDYFFT-GFCCVEGCSA-N	321.446	1.945	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@@H]1CCO[C@H]1c1ccccc1	176555295	LZBXHKAYUXQMKU-OCCSQVGLSA-N	314.345	1.489	50	20	DDGD	
CO[C@@]1(C)C[C@@H](NC(=O)NNC(=O)Cc2ccncc2)C1(C)C	177563795	DCBLFOBREGMFKY-WBMJQRKESA-N	320.393	1.158	50	20	DDGD	
CCCC[C@@H](NC(N)=O)C(=O)NNc1ccccc1[N+](=O)[O-]	68516198	HOZZAXJBFIDUJI-SNVBAGLBSA-N	309.326	1.265	50	20	DDGD	
CCCCCn1nc(C(=O)NNC(C)=O)c2ccccc2c1=O	28883096	XNEQRWUXANVTDT-UHFFFAOYSA-N	316.361	1.368	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)nn1	173534967	MFDXEDMVELFVCQ-SECBINFHSA-N	319.369	1.853	50	20	DDGD	
C[C@H](Oc1cccnc1)C(=O)NNC(=O)NC1CCCCC1	172098041	TXIJSIUWDCPKBZ-NSHDSACASA-N	306.366	1.512	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(SC)ccc1C	65206055	ZGHSXDUBIPJJFQ-UHFFFAOYSA-N	311.407	1.697	50	20	DDGD	
O=C(NNC(=O)c1c2c(nc3ccccc13)CCC2)NC1CC1	64900653	XIGDXAYIMUTWAH-UHFFFAOYSA-N	310.357	1.830	50	20	DDGD	
O=C1C[C@H](C(=O)NNC(=O)c2cccc3ccccc23)CCN1	129024458	CRWMSZUFNYGAMR-GFCCVEGCSA-N	311.341	1.127	50	20	DDGD	
CN(CC(=O)NNC(=O)C1CC1)Cc1ccc(Cl)c(F)c1	127684253	SLVSLOQAPMUSLT-UHFFFAOYSA-N	313.760	1.468	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1cccc(Cl)c1	126497283	FLJIYGGTDYDOLS-SKDRFNHKSA-N	311.769	1.910	50	20	DDGD	
COC(=O)NCC(=O)NNc1cc(C(F)(F)F)ccc1F	128902177	HVQFOCWJELDAOD-UHFFFAOYSA-N	309.219	1.644	50	20	DDGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NC[C@@H](C)O)c1C	128335613	RJYNGYYAMGRWCM-AAFQVLGDSA-N	319.405	1.716	50	20	DDGD	
CC(C)C[C@H](C)CC(=O)NNC(=O)CNC(=O)c1cccnc1	122293346	MLWJJJKGLGXZEG-LBPRGKRZSA-N	320.393	1.031	50	20	DDGD	
O=C(Cc1cncs1)NNC(=O)c1cccc([N+](=O)[O-])c1	187739409	QHIXNOSCRNNFBC-UHFFFAOYSA-N	306.303	1.055	50	20	DDGD	
CC(Cl)(Cl)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	182237266	VQFSALOVPGDVGO-UHFFFAOYSA-N	306.105	1.550	50	20	DDGD	
CCc1cccc(C)c1NC(=O)NNC(=O)c1cnn(C)c1	186399930	YSRUWJGKAHOXQW-UHFFFAOYSA-N	301.350	1.757	50	20	DDGD	
COc1ccc(CCCC(=O)NNc2nccc(OC)n2)cc1	128608510	DHFZSRUYMYSIHF-UHFFFAOYSA-N	316.361	1.960	50	20	DDGD	
COc1ccccc1SCC(=O)NNc1ncc(F)cn1	127206957	XXSGJXHGCYRVRQ-UHFFFAOYSA-N	308.338	1.860	50	20	DDGD	
CC[C@H]1C[C@H](C(=O)NNC(=O)c2ccc(C)cc2O)CCO1	183580623	GTMSZYNJQLFKJQ-NEPJUHHUSA-N	306.362	1.667	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cnc(C(C)(C)C)nc2)[nH]n1	184631860	XFYBTFINNVVMTL-UHFFFAOYSA-N	317.353	1.272	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C(C)(C)Oc1ccc(F)cc1	136029638	KBIMABCFXULLHH-UHFFFAOYSA-N	319.336	1.783	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NNc1ccc(C#N)c(Cl)c1	182354052	UIIVMZNHLVIVHY-LLVKDONJSA-N	309.757	1.492	50	20	DDGD	
Cc1noc(CCCC(=O)NNc2nnc(C3CC3)s2)n1	184465670	WWVLUGHHXOGXRD-UHFFFAOYSA-N	308.367	1.573	50	20	DDGD	
Cc1nccc(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)n1	80053406	ONQNJPBGIGJXEN-UHFFFAOYSA-N	323.312	1.515	50	20	DDGD	
CN(C)C(=O)NNC(=O)COc1ccc(Br)cc1	194473484	AZIDWWZPTIKRJY-UHFFFAOYSA-N	316.155	1.130	50	20	DDGD	
C#CCOc1ccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)cc1	83677990	GFDNBTOSPSWFEI-NSHDSACASA-N	317.414	1.606	50	20	DDGD	
CC(=O)CSCC(=O)NNC(=O)c1cc2ccccc2o1	192680693	VHGPUBVWLVQXGP-UHFFFAOYSA-N	306.343	1.516	50	20	DDGD	
Cc1cnn(CCC(=O)NNc2ncnc3ccsc23)c1	132943224	QWUWPBOYAYCEDU-UHFFFAOYSA-N	302.363	1.730	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2ccc(C)c(O)c2)n1	89455205	LLBQYSYTEHWGCE-UHFFFAOYSA-N	302.334	1.493	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1cccc(-n2ccnn2)c1	131216490	UFDPWSLBNMSDHI-UHFFFAOYSA-N	313.361	1.609	50	20	DDGD	
CCOCCCC(=O)NNC(=O)COc1ccccc1OCC	47048079	MFEMPXNWLJOCPW-UHFFFAOYSA-N	324.377	1.428	50	20	DDGD	
COc1ccc(-c2cc(C(=O)NNC(=O)C(C)C)[nH]n2)cc1	98078285	ZNVJGBMSPUPORX-UHFFFAOYSA-N	302.334	1.502	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	265949208	HAMYGDBFCTYMBH-MJBXVCDLSA-N	317.389	1.753	50	20	DDGD	
CC[C@@H](C)Oc1ccc(C(=O)NNC(=O)N2CCOCC2)cc1	267392933	VMIZMVUZRRRAHP-GFCCVEGCSA-N	321.377	1.551	50	20	DDGD	
Nc1c(C(=O)NNC(=O)NC2CCCC2)cccc1[N+](=O)[O-]	267212857	SIUGVUJOYYYIQO-UHFFFAOYSA-N	307.310	1.064	50	20	DDGD	
CC[C@@H](C)C[C@@H](C)NC(=O)NNc1nc(O)c2cnn(C)c2n1	269296105	ROOKWSROVVTZSF-RKDXNWHRSA-N	321.385	1.520	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2COCCO2)c(Cl)c1	273396909	FZMMKVQOJACXSP-NSHDSACASA-N	313.741	1.217	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccnn1Cc1ccc(F)cc1	275249507	QBRHCDLEFSSBNF-UHFFFAOYSA-N	317.324	1.633	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)CCO1	271909815	RVZSGRFHLROMHG-WCQYABFASA-N	305.378	1.329	50	20	DDGD	
CCCc1csc(NC(=O)C(=O)NNc2ncccc2C)n1	279492950	VAKGDMTUOCFSEH-UHFFFAOYSA-N	319.390	1.881	50	20	DDGD	
CC(C)C(=O)N1CCCC[C@H]1C(=O)NNc1ccnc(F)c1	272759684	ONXPSYJKDCENPH-LBPRGKRZSA-N	308.357	1.701	50	20	DDGD	
CCOC(=O)C[C@@H](C)CNC(=O)NNC(=O)c1ccccc1	270509359	WIDVBWWDFOUAMB-LLVKDONJSA-N	307.350	1.220	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@H](NC(=O)NNC(=O)Cc2ccncc2)C1(C)C	271766420	BZNAMQVWUBBWBU-DDTOSNHZSA-N	320.393	1.014	50	20	DDGD	
C[C@H]1CCC[C@H]1CC(=O)NNC(=O)CNC(=O)c1cccs1	274406981	NPHGFAZQYIWPGW-QWRGUYRKSA-N	323.418	1.452	50	20	DDGD	
C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccncc1	285110163	MQKOZMCEXSGVQW-JTQLQIEISA-N	322.365	1.003	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(N)=O	286672557	OKPWVMZBCAFZMI-STRFDMGBSA-N	321.764	1.297	50	20	DDGD	
O=C(NNc1cccc(F)c1)[C@H]1COCCN1C1CCCC1	281198560	NAQIRHLXNFPOBR-OAHLLOKOSA-N	307.369	1.912	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2c(C)coc2C)nc1C	285523851	GWKCBMZTUQRRJZ-UHFFFAOYSA-N	318.333	1.928	50	20	DDGD	
COCCCONC(=O)NNC(=O)c1ccc2ccccc2n1	287948551	GOYHEJHPZZNANV-UHFFFAOYSA-N	318.333	1.147	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@@H]2CCOC[C@@H]2C)n1	286911156	JSPINJOEOWXHSY-ONGXEEELSA-N	309.370	1.092	50	20	DDGD	
CCc1cc(Br)ccc1NNC(=O)c1cnnn1C	282342972	NKAQYKIXQPNHMC-UHFFFAOYSA-N	324.182	1.897	50	20	DDGD	
Cc1nn(C(C)C)cc1/C=C(\C#N)C(=O)NC[C@@H]1CCCO1	281068635	SPPLYSSHXQLJRO-COSNYCCFSA-N	302.378	1.975	50	20	DDGD	
CCOc1ccc(NNC(=O)CC(=O)NCC(F)(F)F)cc1	294242939	GNRWYAKNWIFIQW-UHFFFAOYSA-N	319.283	1.597	50	20	DDGD	
CCCC(=O)N1CCC[C@@H]1C(=O)NNc1cccc(Cl)n1	293790582	WTYWUFVRXUTHHT-SNVBAGLBSA-N	310.785	1.969	50	20	DDGD	
COc1cc(NNC(=O)NCc2cnnn2C)ccc1Cl	807614380	KKQNCMWVNJSEBP-UHFFFAOYSA-N	310.745	1.303	50	20	DDGD	
COc1cc(C)c(NC(=O)NNC(=O)[C@@H]2CCCO2)cc1F	296718430	JERYFCAKKPHFMR-NSHDSACASA-N	311.313	1.474	50	20	DDGD	
CC[C@H](c1cccc(OC)c1)N(C)CC(=O)NNC(=O)C1CC1	808761524	OZPJMKKECOEZHI-OAHLLOKOSA-N	319.405	1.636	50	20	DDGD	
Cc1cn(-c2ccc(F)cc2)nc1C(=O)NN=c1cc[nH]cc1	801186626	NPWPLXIKFHTBMP-UHFFFAOYSA-N	311.320	1.894	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2ccncc2)cnn1C(C)(C)C	298759449	UFOGSFPAFVUCLK-UHFFFAOYSA-N	315.377	1.670	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)C(C)(C)c2ccc(F)cc2)O1	293907587	MBUKIKOOZJAXKG-GWCFXTLKSA-N	308.353	1.818	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)C(=O)c2ccc(Cl)cc2)O1	293988597	UCUJPTSCEVKBIA-KWQFWETISA-N	310.737	1.238	50	20	DDGD	
O=C(C[C@H]1CCCC(=O)N1)NNc1ccc(F)c(F)c1F	809650670	IUABZQMFBBTFMI-SSDOTTSWSA-N	301.268	1.606	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc(N2CCNC2=O)cc1	292756096	FTJNNQRBSBTNGM-UHFFFAOYSA-N	304.350	1.023	50	20	DDGD	
Cc1ccc2cc(C(=O)NNC(=O)N=c3cc[nH]cc3)ccc2n1	802025185	VHQMFIHARXDQPR-UHFFFAOYSA-N	321.340	1.827	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNC(=O)CNc1cccc(OC)c1	806364967	LRWZNCVJICEHSO-HNNXBMFYSA-N	304.350	1.194	50	20	DDGD	
CN(C)C(=O)c1ccc(C(=O)NN(C)C(=O)OC(C)(C)C)cc1	297815566	XDYZKDLDPVABKM-UHFFFAOYSA-N	321.377	1.900	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(F)cc(Cl)c1	295395029	LVMYUUNMEWYBMM-LLVKDONJSA-N	300.717	1.809	50	20	DDGD	
COc1cc(C(=O)NN=Cc2cnccn2)cc(OC)c1OC	807945054	ATNSGYXVTGTKBZ-UHFFFAOYSA-N	316.317	1.266	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1cn2ccccc2n1	804951804	YWPHWSBOEWBFOL-UHFFFAOYSA-N	320.316	1.067	50	20	DDGD	
C[C@@H]1CSC[C@@H]1NC(=O)NNC(=O)Cc1ccccc1F	805791525	LYDGUYPYDPXHEB-SKDRFNHKSA-N	311.382	1.450	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)c2cn(C)c3ccccc23)cn1	814777052	KXSGLVLRTNULKR-UHFFFAOYSA-N	322.372	1.798	50	20	DDGD	
CSc1ccc(C=NNC(=O)Cc2cc(O)nc(O)n2)s1	814860790	VLQGIBGLXZMEPO-UHFFFAOYSA-N	324.387	1.364	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1cccc(NS(C)(=O)=O)c1	818235782	DXTJQHLARHVJRV-BENRWUELSA-N	323.374	1.118	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)Cc2cn3ccccc3n2)CC1(F)F	817435170	DWQJZYWGLFECMJ-CYBMUJFWSA-N	308.288	1.070	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@H](c2nc[nH]n2)C1	819724704	ORXYNXLHDAGZFV-NSHDSACASA-N	322.800	1.487	50	20	DDGD	
CC(=O)c1cccc(O[C@@H](C)C(=O)NNc2ncncc2F)c1	817077049	DFZBMJKXHFOOFG-JTQLQIEISA-N	318.308	1.729	50	20	DDGD	
COc1cc(C(C)=NNC(=O)Nc2ccc3c(c2)OCO3)on1	814993323	REWQQFFHLAKYIU-UHFFFAOYSA-N	318.289	1.958	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2cnn(C)c2Cl)cc1	814711973	CXLSXLAAXMYIFY-UHFFFAOYSA-N	305.769	1.944	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H](c2ccccc2)C1	814641694	KCRFSHLNPWMEJZ-ZFWWWQNUSA-N	303.406	1.812	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCCCC1)c1ccc(N)nc1	814763462	DOPJIROLNFHAKM-LBPRGKRZSA-N	303.410	1.626	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccc(N2CCCC2)nn1	727849889	PHNIBRBXAXAZFL-UHFFFAOYSA-N	303.366	1.028	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1ncc(Br)s1	814955542	LVHDYDZNADLVJT-UHFFFAOYSA-N	314.168	1.322	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@](C)(OC)C2CC2)c1	812446554	GTUGTPDRZLSQFJ-MRXNPFEDSA-N	322.361	1.280	50	20	DDGD	
Cc1ccccc1[C@@H]1C[C@@H](C)N(CC(=O)NNC(=O)C(C)C)C1	827858847	GMGHSHOHZRGKFT-HUUCEWRRSA-N	317.433	1.976	50	20	DDGD	
Cc1cc(C(=O)NN(C)[C@@H](C)CO)c2c(C(C)C)noc2n1	823965192	KGBKQEZUEDYLCV-JTQLQIEISA-N	306.366	1.612	50	20	DDGD	
CS(=O)(=O)c1ccc(NCC(=O)N2CC=C(C#N)CC2)cc1	821437084	SZMVUAXDPAOFQP-UHFFFAOYSA-N	319.386	1.184	50	20	DDGD	
O=C(COc1cccnc1)NNc1nc(-c2cccnc2)no1	728075107	QXQOYSDXMFWXEA-UHFFFAOYSA-N	312.289	1.049	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1ccc(-c2nn[nH]n2)s1	823284455	HLAYHDUWDZRDKB-UHFFFAOYSA-N	322.741	1.129	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(C)c1ncc(CC(=O)OCC)s1	491135531	UKQYOWVJMYVJSD-KTKRTIGZSA-N	323.374	1.655	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccccc1COC1CCOCC1	823946423	JOBXHFOPBMQDNV-CYBMUJFWSA-N	322.405	1.340	50	20	DDGD	
CCCN(NC(=O)c1cc([N+](=O)[O-])n[nH]1)C(=O)OC(C)(C)C	495761750	IMKZBBFEZRKYHN-UHFFFAOYSA-N	313.314	1.610	50	20	DDGD	
CCC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)C(=O)N1CCCC1	728399516	GVHYOGCYUFEIQQ-CHWSQXEVSA-N	324.425	1.298	50	20	DDGD	
C[C@H](CC(=O)O)C(=O)NNC(=O)c1cccc(C(F)(F)F)c1	827303547	GTSZYJNYXLRDAL-SSDOTTSWSA-N	318.251	1.577	50	20	DDGD	
CCO/C=C/C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	493117492	CRRQZQHKIISZMI-QROSGCPLSA-N	312.753	1.805	50	20	DDGD	
CCN(CCO)NC(=O)c1ccccc1[S@](=O)C(F)(F)F	823376538	HEADIAYYPJQLKK-NRFANRHFSA-N	324.324	1.273	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NCCCCC#N	728944961	PZGJINOPUMKXSS-UHFFFAOYSA-N	314.349	1.281	50	20	DDGD	
CCOc1cccc(C=NNC(=O)CNC(=O)OC(C)(C)C)n1	494625187	POBAVNHPNMZQEB-UHFFFAOYSA-N	322.365	1.455	50	20	DDGD	
C[C@@H](NCc1ccc(B(O)O)cc1)c1ccc(OC(F)F)cc1	585015443	ZDHJVGBGPSUOQN-LLVKDONJSA-N	321.132	1.819	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H]1COc2c(cccc2OC)C1	828033233	HVLMGJXLJLPSKQ-KIWPFMIBSA-N	302.330	1.559	50	20	DDGD	
O=C(NCC[C@H]1C[C@H]2CC[C@H]1C2)c1cc(B(O)O)ccc1F	584935452	KTEKFQPREBBQLU-SRVKXCTJSA-N	305.158	1.062	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(C#N)c1	905431540	GCMXXQUNGZMLNQ-CYBMUJFWSA-N	319.386	1.223	50	20	DDGD	
Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CC[C@@H](B(O)O)C1	585068234	YYKLJFMSXJHEKS-SECBINFHSA-N	306.558	1.819	50	20	DDGD	
CC(C)(C)C1CC(N(C(=O)c2ccc(B(O)O)cc2)C2CC2)C1	584998753	CGYNDFWFCCJLEI-UHFFFAOYSA-N	315.222	1.796	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@]1(C)CC(c2ccccc2)=NO1	823558408	HWASKIQPTZDQLT-CQSZACIVSA-N	306.391	1.037	50	20	DDGD	
CC(C)NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	491103031	KCRNBVULTHEOKF-BJMVGYQFSA-N	304.262	1.935	50	20	DDGD	
CC[C@@H](C)[C@H](C=NNC(=O)CNC(=O)OC(C)(C)C)OC	496732118	WMDCYCFPKFNBPH-MNOVXSKESA-N	301.387	1.674	50	20	DDGD	
O=C(NNc1ncccn1)C1(Cc2ccccc2)CCOCC1	822398168	VKTIDVPQJLPYGU-UHFFFAOYSA-N	312.373	1.959	50	20	DDGD	
CCOc1ccccc1CNCc1ccc(B(O)O)cc1F	585017908	CDRORWUQUYWSEN-UHFFFAOYSA-N	303.142	1.194	50	20	DDGD	
CC[C@H](O)[C@@H](C)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	908054070	TXUMOKCQGLVGFP-MFKMUULPSA-N	308.382	1.312	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1nc(C)nc(C)c1C#N	731905718	CJJQLSVGLJWRCY-MRVPVSSYSA-N	307.379	1.003	50	20	DDGD	
CN(C)c1cc(C(=O)NN=c2cc[nH]c3ccccc23)ccn1	730288630	PWFGDVIUDNZRMH-UHFFFAOYSA-N	307.357	1.875	50	20	DDGD	
Cc1ccc(C(=O)NCC(Cl)Cl)cc1S(N)(=O)=O	837651108	ONBYEJZYZWQVMB-UHFFFAOYSA-N	311.190	1.176	50	20	DDGD	
CCN(C)c1ccc(/C=C(/C#N)C(=O)Nc2ccn(C)n2)cn1	491162934	UQQAUACFPPUYBU-LCYFTJDESA-N	310.361	1.817	50	20	DDGD	
C[C@@]1(C(=O)NCc2cccc(C(N)=O)c2)C[C@H]1Br	906020782	FHOMJYRUZOMQPG-ZWNOBZJWSA-N	311.179	1.575	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCC[C@@H]1C1CCCCC1	584931598	AWZSPFHLDHAZOP-MRXNPFEDSA-N	301.195	1.551	50	20	DDGD	
CN(C)Cc1c(C(=O)N2CC[C@@H](B(O)O)C2)oc2ccccc12	585069448	MJFRRKZWAHUBPP-LLVKDONJSA-N	316.166	1.183	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cccc(Cl)c1)Cc1ccon1	739930489	MAXUYZKAEQENIC-UHFFFAOYSA-N	322.752	1.221	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)C#CC(C)(C)C)o1	837365573	SCESDGHSGINCOL-UHFFFAOYSA-N	319.405	1.932	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)C[C@H]2C[C@H]3CC[C@H]2O3)c1	836236568	WKTTUWVJVMQKAH-BPLDGKMQSA-N	317.389	1.471	50	20	DDGD	
COc1ccc(OC(C)(C)C(=O)NN=c2cc[nH]cc2)cc1	831867996	NCUXSVQEQRVVRZ-UHFFFAOYSA-N	301.346	1.813	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)O)CC1)C12CC3CC(CC(C3)C1)C2	738506984	QELJKWVGEZNDOU-UHFFFAOYSA-N	306.362	1.215	50	20	DDGD	
CC(=NNC(=O)CC(F)(F)F)c1ccccc1OCC(=O)O	833385097	FZKPUFAHVQBJJR-UHFFFAOYSA-N	318.251	1.943	50	20	DDGD	
C[C@@H](C[C@H](O)c1cccs1)NCc1ccc(B(O)O)cc1	585035313	RVGFSOJYZUVPBZ-FZMZJTMJSA-N	305.208	1.030	50	20	DDGD	
C=C[C@@H]1OCCC[C@H]1NC(=O)NNC(=O)c1cccc(C#N)c1	836276135	FYMPPWPFPRVDTF-KGLIPLIRSA-N	314.345	1.236	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1c(Cl)c(C)nn1C	905434386	RALBSQZUCMZJIQ-UHFFFAOYSA-N	312.786	1.493	50	20	DDGD	
CC[C@@H](C)[C@@H](CNC(=O)NNC(=O)c1cccc(C#N)c1)OC	836276097	DYYSCJAXJPXDMU-BXUZGUMPSA-N	318.377	1.563	50	20	DDGD	
CCS[C@@H](c1nc(-c2cccc(B(O)O)c2)no1)C(C)C	585051979	QDLOIBQPAZKXID-GFCCVEGCSA-N	306.196	1.867	50	20	DDGD	
CCOCC(=O)NN=C(C)[C@H]1CN(Cc2ccccc2)CCO1	735616125	XNCOJUZAGRBPDK-MRXNPFEDSA-N	319.405	1.416	50	20	DDGD	
COc1cc(C(=O)NNc2cccnn2)ccc1OC(F)F	736697940	PEPQTXYPMTYIFM-UHFFFAOYSA-N	310.260	1.844	50	20	DDGD	
OB(O)c1ccc(CNc2ccc3c(c2)[C@@H](O)CCCC3)o1	585047456	PLBKDQCTXJMGMV-HNNXBMFYSA-N	301.151	1.331	50	20	DDGD	
O=C(COc1ccc(-c2nn[nH]n2)cc1)NN=CC1CCCC1	737919876	ZJRGZMQLKHSODK-UHFFFAOYSA-N	314.349	1.538	50	20	DDGD	
Cc1ccccc1CN(CC(=O)NNC(=O)C1CC1)C1CC1	733194839	QNRYEIHCELWCRP-UHFFFAOYSA-N	301.390	1.517	50	20	DDGD	
O=C(NNC(=O)c1cnc(-c2ccccc2)[nH]1)c1cccnc1	736064767	SINFREOETASWLB-UHFFFAOYSA-N	307.313	1.547	50	20	DDGD	
O=C(CN[C@H]1CCC[C@@H]2C[C@H]12)NNC(=O)c1ccccc1Cl	839197246	WGUDWHCVDFNOAH-OSMZGAPFSA-N	321.808	1.879	50	20	DDGD	
CC[C@@H](C)NC(=O)c1cccc(CNS(=O)(=O)CCl)c1	830023748	PIIZSZUCOKFFRR-SNVBAGLBSA-N	318.826	1.831	50	20	DDGD	
N#CCc1ccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	836245708	PYTLVCSYCAERCJ-ZDUSSCGKSA-N	302.334	1.474	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cccnc1Nc1ccccc1F	910175476	PGFNELLWSNGQTL-NSHDSACASA-N	318.352	1.922	50	20	DDGD	
CCC(=NNC(=O)COc1ccc(F)cc1)c1cnn(C)c1	741811790	DHNMRTDLFQJBHR-UHFFFAOYSA-N	304.325	1.869	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccc(C(C)C)c([N+](=O)[O-])c1	744818479	YFAIGVIBTYCKNG-UHFFFAOYSA-N	320.349	1.693	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1c(F)cccc1F	916362028	HGWMUBIOARTRGJ-NSHDSACASA-N	311.332	1.383	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCc1ccc2c(c1)OCO2	918000138	BDKVDXAPQXSMMP-UHFFFAOYSA-N	319.239	1.198	50	20	DDGD	
COc1ccc(C(=O)NNc2ccnc(N(C)C)n2)cc1OC	740113695	GCZMDZASOYMBLB-UHFFFAOYSA-N	317.349	1.317	50	20	DDGD	
N#C[C@@H]1COCCN1S(=O)(=O)c1ccc(CCl)cc1	914191898	ISWSRMVHKVLGRS-LLVKDONJSA-N	300.767	1.338	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)[C@H](C)CN1CCC(C)CC1	916362933	JUIPXYFGIMFGGQ-CYBMUJFWSA-N	319.453	1.855	50	20	DDGD	
Cc1ccc2nc(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)ccc2c1	843657163	CFUIBUAQHPADJS-DGCLKSJQSA-N	313.357	1.729	50	20	DDGD	
COCCOCC(C)=NNC(=O)c1nnc(O)c2ccccc12	741161988	OPSZJJSPOFCUSV-UHFFFAOYSA-N	318.333	1.104	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)N[C@H]1CCN2CCC[C@@H]2C1	916573773	PENMNEHQNWKPRP-WCQYABFASA-N	319.365	1.848	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=C1C(=O)Nc2ccc(Cl)cc21	842551548	CVSTYNZQBMUDDD-APPZFPTMSA-N	307.737	1.537	50	20	DDGD	
CO[C@H](C=NNC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1	841605539	XGIBKWGEECKSKB-WCQYABFASA-N	307.306	1.362	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)c2cccc(C#N)c2)c1	741920294	KBDFDLXILVTBOC-UHFFFAOYSA-N	324.296	1.850	50	20	DDGD	
C[C@@H](CCCCN)NC(=O)NNC(=O)Cc1ccccc1F	841997496	LYICIEHERMELQO-NSHDSACASA-N	310.373	1.216	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNC(=O)Cc1cn2ccccc2n1	841136167	RGKNLNUTJSAWHV-ZDUSSCGKSA-N	318.377	1.085	50	20	DDGD	
CCC(C)(C)[C@H]1CCc2nc(NC(=O)C(=O)NN)sc2C1	841199025	AKENRPLENJMDCA-QMMMGPOBSA-N	310.423	1.613	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1cccnc1)c1cccc2ccccc12	743501815	RNAPNBMHYNPJEX-MRXNPFEDSA-N	321.336	1.729	50	20	DDGD	
CCN1CCC(=NNC(=O)COc2ccccc2C#N)[C@@H](C)C1	741458926	ZGLUTOADSYVRON-ZDUSSCGKSA-N	314.389	1.771	50	20	DDGD	
CC(C)CNC(=S)NNC(=O)Nc1ccc(N(C)C)cc1	741856027	FZLGIDBUPVKODG-UHFFFAOYSA-N	309.439	1.909	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnccc1C(F)(F)F	847099528	RBPYFTIWGWWSIZ-HTQZYQBOSA-N	317.267	1.286	50	20	DDGD	
COCC1(CC(=O)NNC(=O)C(C)(C)c2ccccc2)CC1	843546016	KFHVULYMDGXBNT-UHFFFAOYSA-N	304.390	1.928	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@H]1CCc2nnn(C)c2C1	846641394	DBIVYRIPASNKJP-VIFPVBQESA-N	319.340	1.211	50	20	DDGD	
C[C@H]1CC(=NNC(=O)CSc2ccccc2[N+](=O)[O-])CN1C	842568672	YUFZZEFPWPVUHT-JTQLQIEISA-N	322.390	1.883	50	20	DDGD	
COCCN(CCOC)S(=O)(=O)CC(C)(C)CCl	866379320	INTBHMSTOVZOMI-UHFFFAOYSA-N	301.836	1.176	50	20	DDGD	
CCN(CC)C[C@H](C)NC(=O)NNc1cccc([N+](=O)[O-])c1	921121864	QEANAYKATRBBSD-NSHDSACASA-N	309.370	1.951	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNc1ncc(F)cc1F)C(=O)O	848590076	ANMGKCFBBIEFEP-MRVPVSSYSA-N	302.281	1.343	50	20	DDGD	
CCCN1CCC[C@@H]1C(=O)NNC(=O)COc1ccc(F)cc1	749561310	OVKKSHYBRLLQQR-CQSZACIVSA-N	323.368	1.226	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cnn3c2CCC3)c1C	849366297	XSSKJZMQCHLKFC-UHFFFAOYSA-N	314.345	1.681	50	20	DDGD	
Cn1nc(C(F)(F)F)cc1C(=O)NNc1ncncc1Cl	857490925	LIHDAEGNZWTEMZ-UHFFFAOYSA-N	320.662	1.639	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)CSCc1ccncc1)C1CC1	855103167	RUNYYBJNGXDYLC-SNVBAGLBSA-N	324.475	1.609	50	20	DDGD	
CC[C@H](CN1CCCC1)NC(=O)NNc1nc(C)cc(C)n1	758849458	WNPCKJQNYTYQSF-CYBMUJFWSA-N	306.414	1.594	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C	921038585	UNUNFAKKBKQZLZ-AWEZNQCLSA-N	318.377	1.702	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1cc(C)cc(C(F)(F)F)c1	753839234	IEVMCAJMEQJSFC-UHFFFAOYSA-N	303.240	1.120	50	20	DDGD	
CC(=O)N1CC[C@@H](NC(=O)[C@H](Br)C(C)(C)C)C1	857739464	OEQLFDYXBXQMQL-ZJUUUORDSA-N	305.216	1.533	50	20	DDGD	
CC1CCN(C[C@@H](C)C(=O)NN=Cc2ccc(CO)cc2)CC1	853279292	PHUGYWSMSAXXFR-OAHLLOKOSA-N	317.433	1.997	50	20	DDGD	
CC(=NNC(=O)C(F)F)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	853332700	ONVXBLIUISGPAF-SECBINFHSA-N	321.324	1.380	50	20	DDGD	
COC1(C(C)=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)CCC1	853278059	WERBQSDKJPIOFS-UHFFFAOYSA-N	306.322	1.852	50	20	DDGD	
C[C@]1(CNS(=O)(=O)c2cccc(N)c2)C[C@H]1Br	856752403	IVXNHUZWYDCEOZ-GHMZBOCLSA-N	319.224	1.721	50	20	DDGD	
COCCn1cc(NC(=O)NNc2ccc(Cl)cn2)cn1	853014343	QUIPSFVOZYZODX-UHFFFAOYSA-N	310.745	1.727	50	20	DDGD	
CN(C)C(=O)c1ccc(CNC[C@@]2(C)C[C@H]2Br)[nH]1	856806981	JTJQFXWNVBCTAI-DGCLKSJQSA-N	314.227	1.980	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@@H](O)C2CCC2)C[C@@H]1Br	856961169	WOGIPFPHRJDXRE-JFGNBEQYSA-N	305.216	1.620	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)c1ccccc1F)C1CCCC1	852287446	YGCOXJWXIGHVNU-AWEZNQCLSA-N	323.368	1.975	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@@H](F)Cc2ccccc2)n1	753458249	YBVJGGCSDZTIQX-VIFPVBQESA-N	309.732	1.736	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@@H]3CNC[C@@H]32)C[C@@H]1Br	857105550	NGEYVQDDTNUZRJ-FYLLDIAZSA-N	302.216	1.163	50	20	DDGD	
C[C@H](CNC(=O)NNc1ccc(Cl)cn1)Cn1cccn1	851993400	RRDBIVXCDJQBBV-SNVBAGLBSA-N	308.773	1.894	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C#CC(C)C)c1C	854218295	SUEUWWRNWBMHOF-AWEZNQCLSA-N	302.374	1.878	50	20	DDGD	
C[C@H]1CC(F)(F)CCN1C(=O)NNC(=O)Cc1cccnc1	858190479	JCAXIKLOYIHSSJ-JTQLQIEISA-N	312.320	1.485	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCS[C@@H]2CCCC[C@H]21	752358309	AYLKKDQGWXMOCJ-VXGBXAGGSA-N	313.467	1.540	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)ccc1C	857268062	WEHCCMXECNSRRN-KWCYVHTRSA-N	304.346	1.792	50	20	DDGD	
O=C(NNc1ccc(F)cn1)NC1CCN([C@@H]2CCOC2)CC1	852637078	RNNYHPCIGBUEMZ-CYBMUJFWSA-N	323.372	1.100	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(C)c(OC(F)F)c(C)c1	854923820	JVYIBJKRWAMJDJ-UHFFFAOYSA-N	317.361	1.986	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)N[C@H]2C=CCC2)c1	852512858	QVAAUFHVQQSTHP-NSHDSACASA-N	305.334	1.366	50	20	DDGD	
CC(C)Oc1ncccc1C(=O)NNC(=S)N[C@@H](C)C1CC1	855096481	BRYPGXIBQQOWEV-JTQLQIEISA-N	322.434	1.776	50	20	DDGD	
CCN(CC)C(=O)COC(=O)/C(C#N)=C\c1ccc(O)cc1	750664870	YXWCKNUJDRDUAP-LCYFTJDESA-N	302.330	1.711	50	20	DDGD	
CCC[C@@H](CNC(=O)NNc1nc(C)cc(OC)n1)OCC	858681726	IYUOKXPIUYTSJH-NSHDSACASA-N	311.386	1.625	50	20	DDGD	
O=C(NNC(=O)c1snnc1C1CC1)c1cccc(Cl)n1	857325308	WCMLKLKHFNKKGZ-UHFFFAOYSA-N	323.765	1.539	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cccc(NC(=O)C2CC2)c1	854928320	SRDXURDWQAQCFF-UHFFFAOYSA-N	306.391	1.116	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2noc3c2CCCC3)nc1	759737793	GSDNUTMXBMMZSP-UHFFFAOYSA-N	316.317	1.492	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1c(C)c(O)nc2ccccc12	935289926	DSDICVYYYRBXEU-UHFFFAOYSA-N	302.334	1.555	50	20	DDGD	
CC(C)[C@@H]1C[C@H](C(=O)NNC(=O)Cc2ccncc2)CCO1	934041892	LJUANQCXMIWVRV-KGLIPLIRSA-N	305.378	1.223	50	20	DDGD	
O=C1N[C@H](C(=O)NNc2cc(C(F)(F)F)ccc2F)CCO1	860392655	FKCSJCPMSYMQNI-QMMMGPOBSA-N	321.230	1.786	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cn[nH]c2)cnn1C1CCCCC1	862471274	YIZBXGVGGQNATH-UHFFFAOYSA-N	316.365	1.495	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cccc2cc(O)ccc12	865046499	KTGAYLIXPAIDCF-UHFFFAOYSA-N	315.329	1.232	50	20	DDGD	
CO/C(=C/c1ccccc1)C(=O)NNc1nccc(OC)n1	764216685	KDQWRMHXZFECIL-ZRDIBKRKSA-N	300.318	1.616	50	20	DDGD	
C[C@H](NNC(=O)c1cn(C)c(=O)c2ccccc12)C(F)(F)F	862317709	LTXYQALJOZRIKW-QMMMGPOBSA-N	313.279	1.724	50	20	DDGD	
CC(C)CN1N=C(C(=O)NN[C@H](C)C(F)(F)F)CCC1=O	862317955	MPYBNWWQQRTTFM-MRVPVSSYSA-N	308.304	1.192	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1C(=O)NN[C@H](C)C(F)(F)F	862316510	CXLMADLZNXOOEP-ZCFIWIBFSA-N	307.228	1.789	50	20	DDGD	
CC[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1cc(C)[nH]n1	768278080	ZCAOPRAYKPKNAA-ZDUSSCGKSA-N	300.362	1.748	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)c2c[nH]nc2C)c1CC	760291971	SIXINVZAWCVDPX-UHFFFAOYSA-N	318.381	1.352	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)c2coc(S(N)(=O)=O)c2)c1	763583210	RVRAHWCXIDBKBX-UHFFFAOYSA-N	309.347	1.301	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C/c1cn(C[C@H]2CCCO2)nn1	865216561	GYTHFZVVPIBJAL-TZWLIRKLSA-N	303.366	1.136	50	20	DDGD	
CCCN(NC(=O)c1csc(CO)n1)C(=O)OC(C)(C)C	868290778	XKOIWWUFRIZEFA-UHFFFAOYSA-N	315.395	1.927	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccc(N2CCOCC2)cc1	760906997	PIYHNAIMYOVHQO-UHFFFAOYSA-N	317.324	1.209	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(OC)nc2)c([N+](=O)[O-])c1	768335109	GFGFTAJGBCXOGZ-UHFFFAOYSA-N	318.289	1.764	50	20	DDGD	
COc1cccc(NCC(=O)NN=C2CCN3CCC[C@@H]23)c1	765570026	PRCSBOYPTWBPTB-HNNXBMFYSA-N	302.378	1.447	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=CC2CCC(C(F)(F)F)CC2)N1	863150964	BCXWEKDQBNKLBE-UDNWOFFPSA-N	305.300	1.736	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C/c1cn(C[C@H]2CCCO2)nn1	865215765	XZHKGAUTBCBQFR-CEFACKQISA-N	303.366	1.280	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NC[C@@]2(C)C[C@@H]2Br)no1	1118755441	ZFMYYFHALZBLHR-WRWORJQWSA-N	316.155	1.211	50	20	DDGD	
CC(C)CS(=O)(=O)CCC(=O)NNc1nc2ccccc2[nH]1	768505312	YLBQRPVUXYGUDP-UHFFFAOYSA-N	324.406	1.467	50	20	DDGD	
O=C(NNC(=O)[C@H](O)CCc1ccccc1)NC1CCCC1	764912099	XOQFZJMYXWDVPL-CQSZACIVSA-N	305.378	1.253	50	20	DDGD	
CNC(=O)NCC(=O)NNc1ccc(Br)cc1C	762003825	UHDZZHIFDWGHNL-UHFFFAOYSA-N	315.171	1.130	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]32)n1	862518509	VFWPBQITIDIXPO-UPJWGTAASA-N	302.378	1.528	50	20	DDGD	
N=C(N)NN=Cc1ccc(OCCBr)c(Cl)c1	763104384	MGXHHFNAOFQRHK-UHFFFAOYSA-N	319.590	1.931	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccc(-c2cc[nH]n2)s1	762844879	PAAWEOOVMDTYLJ-UHFFFAOYSA-N	318.280	1.852	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc(Cn2cccc2)cc1	1115991006	BCTDMKBGMQYQMN-UHFFFAOYSA-N	312.373	1.890	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@@]12CCC[C@@H]1C2	1119935848	AUCSFWKVQALIFE-BDJLRTHQSA-N	303.362	1.445	50	20	DDGD	
C#CCO[C@H](C)C(=O)NNC(=S)Nc1ccccc1OC	873770188	BUGMMNZEZAXVIC-SNVBAGLBSA-N	307.375	1.051	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)c2ccc(OC)cc2)c1C	1119305126	CFFLUITTYUPGLE-UHFFFAOYSA-N	302.334	1.295	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cc(C(=O)OC)no2)cc1	777792302	XPFFHQTUGQXKTH-UHFFFAOYSA-N	317.301	1.098	50	20	DDGD	
Cc1nnc2n1C[C@@H](C(=O)OC[C@H](C)CBr)CC2	770404140	PORVTTSHYKFOTJ-SCZZXKLOSA-N	316.199	1.723	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1ccc(OC(F)F)cn1	775215019	XQKKOFFEWKOPDR-UHFFFAOYSA-N	316.308	1.560	50	20	DDGD	
CC(=NNC(=O)CCO)c1cc(Br)ccc1F	1116281519	BSVDDBXAFLFMNW-UHFFFAOYSA-N	303.131	1.811	50	20	DDGD	
O=C(NNc1ccc(F)cn1)[C@H]1CC(=O)N(C2CCCC2)C1	874651362	NFZSNWPODLOXON-JTQLQIEISA-N	306.341	1.455	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1ccc(-n2cccn2)cc1	872403880	WRBLLJFMMQSUPZ-UHFFFAOYSA-N	316.361	1.376	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cc(Br)nn1C	879643737	NZTICSNPSQQDPF-UHFFFAOYSA-N	318.175	1.381	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc(N2CCCNC2=O)c1	878824422	IZNDIZPEJOFOLT-UHFFFAOYSA-N	321.381	1.221	50	20	DDGD	
COC(OC)C(=O)NNC(=O)CSc1ccc(Cl)cc1	873780374	JUPAMBBNXLAYLN-UHFFFAOYSA-N	318.782	1.198	50	20	DDGD	
CCS(=O)(=O)N[C@H](C)C(=O)NNc1cc(Cl)ccc1C	885127033	KRAUARLRZAQFOG-SECBINFHSA-N	319.814	1.419	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)C2CCOCC2)ccc1F	883088941	VQNCTLPIZNXXOG-UHFFFAOYSA-N	309.341	1.391	50	20	DDGD	
CC1(C)[C@H](NC(=O)NNc2ccc(C#N)cn2)[C@@H]2CCCO[C@H]21	888382576	ALYHMWSNNJKKNU-IACUBPJLSA-N	315.377	1.783	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NNc1ccc(Cl)cc1F	885107454	GDUFYNNYRPJOOF-SNVBAGLBSA-N	302.737	1.759	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc2c(nc1O)CCCC2	887142876	DEIRTQAHLPOZQM-UHFFFAOYSA-N	301.346	1.231	50	20	DDGD	
Cn1cc(C[C@@H]2CCN(S(=O)(=O)CCCCl)C2)cn1	881961102	ZSSHWQUVGPJYOV-NSHDSACASA-N	305.831	1.243	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1ccnc(C2CC2)c1	783644208	AQCZGLGCTZSIJS-UHFFFAOYSA-N	310.357	1.832	50	20	DDGD	
C#CCCCC(=O)NNC(=O)COC/C=C\c1ccccc1	887145618	KXUYVDDEGFIVBL-FLIBITNWSA-N	300.358	1.667	50	20	DDGD	
CC(C)c1ccccc1OCC(=O)NNC(=O)C1CCOCC1	883058771	AYBUGKZDYZXNKH-UHFFFAOYSA-N	320.389	1.763	50	20	DDGD	
C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)NNC(=O)c1cccnn1	883852633	RTFHASPPVPSSGJ-SFYZADRCSA-N	317.271	1.104	50	20	DDGD	
O=C(NCCCOc1ccccc1)NNC(=O)C1CCOCC1	883083261	GDDNEIUFMFKADC-UHFFFAOYSA-N	321.377	1.213	50	20	DDGD	
C=C(CBr)n1cc(CN2CCC[C@@H](N)C2)nn1	887444928	UQYDWAKATREAFR-SNVBAGLBSA-N	300.204	1.067	50	20	DDGD	
CC[C@@H](C)n1nccc1C(=O)NNC(=O)Cc1ccncc1	1121163705	PCJWHNJQYRSJKE-LLVKDONJSA-N	301.350	1.253	50	20	DDGD	
O=C(CCOC[C@@H]1CCCO1)NNc1ncncc1Cl	781836607	PRIQXINAGXXXPV-VIFPVBQESA-N	300.746	1.159	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(OC)cc1OCC1CC1	788501511	KVCGUBICUFRZPC-UHFFFAOYSA-N	321.377	1.838	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(S(C)(=O)=O)cc2)n1	780770463	FOXKRUNNSVINCM-UHFFFAOYSA-N	321.358	1.251	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNc2cnccn2)c(OC)c1	782080200	SUZDBMWDWOCXML-UHFFFAOYSA-N	317.305	1.420	50	20	DDGD	
CC(=NNC(=O)C(F)F)[C@@H](c1ccccc1)N1CCOCC1	782237613	MXKORKIIPGZSSP-ZDUSSCGKSA-N	311.332	1.817	50	20	DDGD	
COC1CCC(C(=O)NNC(=O)c2ccc(C#N)cc2)CC1	780516856	DHJLCHSGTFTKSJ-UHFFFAOYSA-N	301.346	1.524	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)[C@H]1CCc2nccn2C1	787999318	KJYQGADMRSLYKV-LBPRGKRZSA-N	307.357	1.559	50	20	DDGD	
COc1ccncc1NC(=O)C(=O)NNc1ccc(Cl)nc1	784871736	XAWBSGXAHXYIFD-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
Nc1ccc([N+](=O)[O-])cc1C(=O)NNc1ncncc1Cl	787315155	XBDGDIRWYCTGPD-UHFFFAOYSA-N	308.685	1.377	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)NCCC(C)(C)N)cc1	892861298	SAUHNPGMONBTTC-UHFFFAOYSA-N	324.450	1.545	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccnn1CC(F)F	789994198	OCGVXZZFGZOKHN-UHFFFAOYSA-N	311.248	1.813	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc2c(c1)C(=O)NCCO2	894254686	JKCYCDOUAFOFGP-UHFFFAOYSA-N	319.361	1.006	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)NCCC#N)cc2C1	787352311	NEXPUPYZDQTXDH-VIFPVBQESA-N	306.391	1.731	50	20	DDGD	
COc1cccc(C=NNC(=O)[C@@H]2COc3ccccc3O2)n1	790142802	IHPUXCRZKPRMBH-AWEZNQCLSA-N	313.313	1.380	50	20	DDGD	
CNC(=O)Cn1nc(NC(=O)NCCSSC)cc1C	794256824	UXFRFELDGZCKOC-UHFFFAOYSA-N	317.440	1.070	50	20	DDGD	
CC1CCC(OCC(=O)NNC(=O)NCC(F)(F)F)CC1	798125697	MFVLLJSZHWABQN-UHFFFAOYSA-N	311.304	1.474	50	20	DDGD	
CC(C)OC(=O)CC[C@H](C)NC(=O)NNC(=O)CC(C)(C)C	792303815	JKWMRNITFLJIEP-NSHDSACASA-N	315.414	1.873	50	20	DDGD	
C[C@H]1CC[C@H](CNC(=O)NNC(=O)c2ccc(C#N)cc2)C1	792875410	ZACYIZKXRCPYPV-AAEUAGOBSA-N	300.362	1.938	50	20	DDGD	
COCCCNC(=O)NNC(=O)CC1CC(c2ccccc2)C1	798931513	LRBOJJGAXYFDFS-UHFFFAOYSA-N	319.405	1.937	50	20	DDGD	
COCCCOCC(=O)NNc1ccc(Cl)c(OC)c1	790179520	URNHRSURAUQIPF-UHFFFAOYSA-N	302.758	1.845	50	20	DDGD	
CN(C)C(=O)NNS(=O)(=O)c1c(Cl)ccc(F)c1F	790051870	BDAUUXXDNMOCTH-UHFFFAOYSA-N	313.713	1.083	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41	793422754	CRIRWQZFCUYFAC-MTTMPXCWSA-N	323.396	1.166	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1cnc2ccc(Cl)cn12	794959204	ZWQUYCYXLHQTAS-WZUFQYTHSA-N	310.766	1.744	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1ccn(CC(F)F)n1	790044433	QPYIWHBBHZUQAH-UHFFFAOYSA-N	302.672	1.349	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNC(=O)c1ccc(OC)c(OC)c1	794610024	YVUXJFSLIGZGGS-HNNXBMFYSA-N	305.334	1.405	50	20	DDGD	
CSCCCN(C)CC(=O)NNC(=O)c1cccc(C)c1	799198735	KNNMVFBQXJWCLH-UHFFFAOYSA-N	309.435	1.441	50	20	DDGD	
COC(=O)c1ccc(SCC(=O)NNC(=O)C(C)(C)C)cc1	1318723993	UIHQJJPCPOPRIE-UHFFFAOYSA-N	324.402	1.759	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC1(F)F)c1ccc(Br)cc1	1327931037	PEBBTAGABCWPIW-QMMMGPOBSA-N	319.105	1.865	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cnc([C@@H]2CCCO2)s1	1320288090	SVQJCLNIXIVREQ-QMMMGPOBSA-N	309.326	1.681	50	20	DDGD	
COC(=O)c1cc(C)cc(C(=O)NNC(=S)NC(C)C)c1	1326744934	MSWYWPQTMGGLBB-UHFFFAOYSA-N	309.391	1.299	50	20	DDGD	
COCC(=NNC(=O)C[N+](C)(C)C)c1cccc(Cl)c1F	1326227422	LFVLZHURRBFREH-UHFFFAOYSA-O	316.784	1.652	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)Nc2ccccc2)C[C@@H]1Br	1329510151	HKJFXOJDRKVORL-GXFFZTMASA-N	311.179	1.915	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)C2CCNCC2)c(C)c1	1328681901	OWKPDYVSCHJPGT-UHFFFAOYSA-N	320.393	1.546	50	20	DDGD	
CC[C@H]1C[C@H](CC(=O)NNc2nncc(N)c2Cl)CCO1	1254438436	JLXGYBDPJQGOBG-BDAKNGLRSA-N	313.789	1.751	50	20	DDGD	
CCn1nc(C(C)C)cc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	1326648670	SYLUQJDJZQCMDC-MNOVXSKESA-N	308.382	1.212	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1CCO[C@@H](c2ccncc2)C1	1333191316	QWTMEVOODFFRCO-VXGBXAGGSA-N	308.338	1.214	50	20	DDGD	
COC(=O)C(=O)NN=C1CCc2c1ccc(Cl)c2Cl	1252511199	JPQUYQRGQRWANK-UHFFFAOYSA-N	301.129	1.933	50	20	DDGD	
O=S(=O)(CBr)N1CCC[C@H]1C1CCOCC1	782476522	BRJUNRRIQGPCEM-JTQLQIEISA-N	312.229	1.560	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc(OCC#N)cc1	1261459115	YRVJZWDTIVBJDL-ZWNOBZJWSA-N	318.333	1.167	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)[C@]1(F)CCOC1	1343671898	VGDJYDALKJMJPP-KRWDZBQOSA-N	316.332	1.658	50	20	DDGD	
CC(C)[C@@H](C#N)C=NNC(=O)c1cccc(S(C)(=O)=O)c1	1340950545	IDGDLXFPUAOIRF-LBPRGKRZSA-N	307.375	1.601	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C(F)F)cc1	1515850391	GXMNTVSBYNHAIP-MRVPVSSYSA-N	313.304	1.756	50	20	DDGD	
CC[C@]1(C(=O)OC[C@]2(C)C[C@H]2Br)CCNC1=O	1515801944	XZUOIONUFUJUKP-ZHAHWJHGSA-N	304.184	1.619	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)[C@H]2CCCN(CC(=O)O)C2=O)c1	1605151655	SUVDAFWXGQJVAW-CYBMUJFWSA-N	319.361	1.070	50	20	DDGD	
Cc1ccc(NNC(=O)COc2ccc(O)cc2)cc1C(=O)O	1600461075	BMWIGYSYAVRCIN-UHFFFAOYSA-N	316.313	1.921	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)Nc1nc2n(n1)CCCC2	1608483655	VEKLPUJSOJCZGZ-UHFFFAOYSA-N	316.321	1.461	50	20	DDGD	
CC1(C)COC[C@H]1NC(=O)NNc1ccc(C(=O)O)cc1F	1609818385	IELSMJLNTNQPEL-LLVKDONJSA-N	311.313	1.575	50	20	DDGD	
O=C(NNc1ncccn1)N[C@H]1C[C@@H](C(=O)O)c2ccccc21	1605820971	PANBTXLUAWYWMG-NEPJUHHUSA-N	313.317	1.416	50	20	DDGD	
Cc1c(NNC(=O)[C@@H](C)c2cnn(C)c2)cccc1C(=O)O	1600051546	WDMWXLBIGAFJMN-VIFPVBQESA-N	302.334	1.674	50	20	DDGD	
CO[C@H](C(=O)NNc1cccc(C(=O)O)c1C)[C@H]1CCOC1	1606650433	LHNIDOUOOHDLPB-GWCFXTLKSA-N	308.334	1.188	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cccc(CC(=O)O)c2)n1	1611074865	UEHSNELZYVFSLK-UHFFFAOYSA-N	317.305	1.261	50	20	DDGD	
O=C(NNC(=O)c1ccc(C(=O)O)[nH]1)c1ccc(Cl)cc1	1574819688	RQDBFQJXRKHMTO-UHFFFAOYSA-N	307.693	1.441	50	20	DDGD	
C[C@@]1(C(=O)O)CCN(S(=O)(=O)c2ccc(CCl)cc2)C1	1589200529	NLUPBFWHBQMGSJ-CYBMUJFWSA-N	317.794	1.911	50	20	DDGD	
CO[C@@H](C(=O)NNc1ccc(C(=O)O)c(F)c1)c1cnn(C)c1	1599029400	YVPBOBTWUGRHBH-GFCCVEGCSA-N	322.296	1.088	50	20	DDGD	
O=C(NNC(=O)c1ccc(C(=O)O)nc1)Nc1ccccc1	1594782656	DXLJPGUQLIKZDA-UHFFFAOYSA-N	300.274	1.246	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NN[C@@H](C(=O)O)C2CC2)cc1	1597129452	AMJKPXKLTBBGKN-IINYFYTJSA-N	322.361	1.337	50	20	DDGD	
CC1=NO[C@H](CNC(=O)NNc2ccc(CC(=O)O)cc2)C1	1594119074	JKLCARBSTRVAET-LBPRGKRZSA-N	306.322	1.105	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)NC1CCC=CCC1	1593166068	UDDWOLZWBXNVDX-UHFFFAOYSA-N	313.365	1.992	50	20	DDGD	
Cc1ccc(O)cc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	1592185972	CHQGRKJHWNFDOF-UHFFFAOYSA-N	310.317	1.638	50	20	DDGD	
CC1(CC(=O)NNc2ccc(-c3nn[nH]n3)c(Cl)c2)COC1	1590123304	ITKTZNLGPKLRCD-UHFFFAOYSA-N	322.756	1.390	50	20	DDGD	
CC(C)(C)OC(=O)N(CCO)N=Cc1ccc(O)c(C(=O)O)c1	1776110563	IDPMRFDWIAOEIF-UHFFFAOYSA-N	324.333	1.654	50	20	DDGD	
CC1(c2ncc(C(=O)N3CC=C(C#N)CC3)s2)OCCO1	1771821793	YBWMVFZYGDFPBR-UHFFFAOYSA-N	305.359	1.658	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc(=O)c3ccccc3o2)n1	11333987	YUZBGGKGVFGWIO-UHFFFAOYSA-N	310.313	1.957	50	20	DDGD	
Nc1nccnc1C(=O)NNC(=O)Cc1cccc2ccccc12	13228770	YFSGOKUJSIYSEE-UHFFFAOYSA-N	321.340	1.216	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Br)c1ccccn1	15341859	YGQIJPUIKQGXCF-UHFFFAOYSA-N	320.146	1.919	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cccc(N(C)C)c2)c1	17250891	OUCGKFDATISOMI-UHFFFAOYSA-N	313.357	1.836	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@H](O)c1ccccc1Cl	161655586	DARYCOVHHZAULZ-GFCCVEGCSA-N	323.736	1.497	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cc(Cl)ccc2C)n1	163450324	KULDBDXELGYPIL-UHFFFAOYSA-N	320.780	1.923	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cn1	152373343	WOGSMQSOIGZRBJ-YNEHKIRRSA-N	304.394	1.788	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccc(-c2nccs2)cc1	155586845	OSQNALDMEDDKNR-UHFFFAOYSA-N	306.347	1.345	50	20	DDGD	
CCCn1cc(NC(=O)C(=O)NNc2ccccc2F)cn1	155628007	RTUXVKRRCMFHOF-UHFFFAOYSA-N	305.313	1.514	50	20	DDGD	
Cn1c(=O)[nH]c2cc(C(=O)NNc3ccc(C#N)cc3)ccc21	155388351	CVGALPNSHZWYJI-UHFFFAOYSA-N	307.313	1.495	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H](CNS(=O)(=O)CCl)C1CC1	830995847	NDARJQKYPCHJML-VIFPVBQESA-N	312.819	1.405	50	20	DDGD	
N#CC1(C(=O)NNC(=O)CCCc2ccccc2)CCOCC1	109142411	JROWJPLZCWKDJT-UHFFFAOYSA-N	315.373	1.477	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccccc1Oc1cccnc1	52027322	CRSRQDCWYWUHHC-UHFFFAOYSA-N	300.318	1.838	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N(C)C[C@@H]2CCCOC2)s1	107740055	MRDONMNZVZAZLA-NSHDSACASA-N	311.407	1.769	50	20	DDGD	
Cc1cc(C)cc(C2(C(=O)NNC(=O)C(=O)NC(C)C)CC2)c1	55040972	WQPPTQOTFPWGFP-UHFFFAOYSA-N	317.389	1.007	50	20	DDGD	
NC(=O)[C@H]1CN(C(=O)CCCC[C@H]2CCSS2)CCO1	50857568	OOLFMKAKVBXHJS-WDEREUQCSA-N	318.464	1.413	50	20	DDGD	
CC[C@@H](Oc1ccccc1Cl)C(=O)NNC(=O)CN(C)C	178193906	NHBLVQZKCXDBRS-LLVKDONJSA-N	313.785	1.206	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1ccc(Cl)c(Cl)c1	106417741	GHRBUROFRWAUQX-UHFFFAOYSA-N	313.144	1.720	50	20	DDGD	
CCc1nc(CCNC(=O)NNc2ccc(C)nn2)cs1	106269629	QWOUAMFCZPWTKZ-UHFFFAOYSA-N	306.395	1.673	50	20	DDGD	
CCN(Cc1ccoc1)C(=O)NNC(=O)Cc1cccnc1	103518490	CIZNLIDCKFGNQJ-UHFFFAOYSA-N	302.334	1.480	50	20	DDGD	
CCN(CCNC(=O)NNC(=O)c1ccc(C)s1)C1CC1	102064628	POBMVHAKJUNZED-UHFFFAOYSA-N	310.423	1.485	50	20	DDGD	
CCO[C@H](CCNC(=O)NNC(=O)Cc1ccncc1)C(C)C	177564836	VAGTURIPPGKCDE-CQSZACIVSA-N	322.409	1.406	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NC[C@@H]1CCCO1	65146060	XLUCFHHYDDKMLW-AWEZNQCLSA-N	305.378	1.519	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCc1ccsc1	66908983	SIVHCCFZNLKGJL-UHFFFAOYSA-N	307.350	1.960	50	20	DDGD	
Cc1cnc([C@H](NC(=O)NNC(=O)c2ccc[nH]2)C2CC2)s1	175879974	LBFLKHQCSGZTAB-LLVKDONJSA-N	319.390	1.875	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cc(C)nn2C)cc1	65741219	BZNZGAFPUCHKRU-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NC[C@@H]1CCCOC1	171834086	NVAZGHQOXLWHDG-NSHDSACASA-N	309.341	1.125	50	20	DDGD	
Cc1nc(CC(=O)NNc2ncnc3nc[nH]c23)c(C)s1	126941386	MTOCQOUAZOHOQN-UHFFFAOYSA-N	303.351	1.112	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccccc2C)c1O	60795586	KICWZRJAEWZHOS-UHFFFAOYSA-N	300.314	1.784	50	20	DDGD	
CC1CCN(CC(=O)NNC(=O)c2cc3ccccc3o2)CC1	122114531	FOLFUDYXBMIYSP-UHFFFAOYSA-N	315.373	1.926	50	20	DDGD	
COc1cccc(NNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)n1	180715000	VUSXDTNXHPUZTH-UHFFFAOYSA-N	321.268	1.477	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2ccc(O)cc2F)c1	181036430	YPQIJUHGYNEAIQ-UHFFFAOYSA-N	317.320	1.672	50	20	DDGD	
C[C@@](O)(CC(=O)NNC(=O)c1ccc(C#N)cc1)c1ccccc1	182255598	XBEIGTYLKXKGCE-GOSISDBHSA-N	323.352	1.617	50	20	DDGD	
CC[C@H]1C[C@H](C(=O)NNC(=O)COCc2ccccc2)CCO1	180226278	RMEBGFFTLWYMQC-CABCVRRESA-N	320.389	1.556	50	20	DDGD	
Cc1cccc(OCCCCC(=O)NNC(=O)CN(C)C)c1	75654047	QOCJCEQXYAMZAQ-UHFFFAOYSA-N	307.394	1.253	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1	184363969	HMVRAVJRSBZZGC-SNVBAGLBSA-N	317.324	1.353	50	20	DDGD	
C[C@H]1CCc2c(C(=O)NNC(=O)[C@@H]3CCCO3)csc2C1	32260752	URERJIFXCIOYAC-CABZTGNLSA-N	308.403	1.813	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2cccc3nn[nH]c23)c1	188610938	GJPSWHXACLWAGW-UHFFFAOYSA-N	301.281	1.863	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)CCc2ccccc2F)n1	134073481	VGVJIQSHWVOIBR-UHFFFAOYSA-N	309.732	1.927	50	20	DDGD	
Cn1cc(/C=C/C(=O)NNc2ccc(C(F)(F)F)cn2)cn1	132345442	WEUZDNXDDPHZIY-GORDUTHDSA-N	311.267	1.990	50	20	DDGD	
COC(=O)C1(C(=O)NNC(=O)c2cc3ccccc3o2)CC1	133296822	PZGDDRMNVSSQGZ-UHFFFAOYSA-N	302.286	1.147	50	20	DDGD	
CCO[C@@H](CCNC(=O)NNC(=O)Cc1cccnc1)C(C)C	80713508	PDESLSWGMHZGOW-AWEZNQCLSA-N	322.409	1.406	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)Cc1ccc(Cl)c(Cl)c1	190051911	MCXUZCNDBBHTIA-UHFFFAOYSA-N	305.161	1.454	50	20	DDGD	
CC(C)CCC[C@H](C)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	42930100	BXKYIJRTJLZWJE-JSGCOSHPSA-N	319.471	1.582	50	20	DDGD	
O=C(NNC(=O)c1ccnc(-n2ccnc2)c1)c1ccccc1	48313323	SNQREUSYXZIPOO-UHFFFAOYSA-N	307.313	1.342	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCc2ccn(C)c2)cc(C#N)n1C	81447106	WETJRVFTHHMGIR-UUASQNMZSA-N	307.357	1.767	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)C1=Cc2ccccc2OC1	190240572	LEOIRMRGLGIHPH-JTQLQIEISA-N	310.375	1.417	50	20	DDGD	
CSCCNC(=S)NNC(=O)/C=C/c1cncc(F)c1	91822141	ZKGHVRLKCJPSLF-NSCUHMNNSA-N	314.411	1.092	50	20	DDGD	
O=C(CSCC(F)(F)F)NNC(=O)c1ccccc1O	90368491	OMAGVBKAIMNXLF-UHFFFAOYSA-N	308.281	1.449	50	20	DDGD	
Cn1c(=NNC(=O)CN2CCSC2=O)sc2ccccc21	254716363	ZVVXLZZVQVZSKQ-UHFFFAOYSA-N	322.415	1.341	50	20	DDGD	
CC[C@@H](C)C[C@H](C)NC(=O)NNC(=O)COc1ccccc1O	266624443	VWXXSTKQIRQUKE-NEPJUHHUSA-N	323.393	1.926	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C(=O)C(C)(C)C)cc1	265023673	DABLEINRLKKFEZ-UHFFFAOYSA-N	306.362	1.390	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NNC(=O)COc1cc(C)ccc1C	269570816	MOIKIEDMGKAWSV-UKTHLTGXSA-N	317.345	1.274	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)Nc1ccc(OC)cc1	265869410	LSRMEYHTJZNPFR-UHFFFAOYSA-N	322.365	1.153	50	20	DDGD	
C[C@@H](C(=O)NNc1c(F)cccc1F)n1nnnc1C(C)(C)C	273484743	UHFQJXAIFBHADC-QMMMGPOBSA-N	324.335	1.953	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1	279436845	QYYAIGGXYPBAHP-LPEHRKFASA-N	322.390	1.153	50	20	DDGD	
CSCCNC(=S)NNC(=O)C1(c2cccc(C)c2)CC1	271358108	DLKWSZRXISTZFM-UHFFFAOYSA-N	323.487	1.885	50	20	DDGD	
Cc1csc2ncc(C(=O)NNC(=O)CC(C)(C)C)c(=O)n12	271972995	INQOMKHMXZIKAE-UHFFFAOYSA-N	322.390	1.262	50	20	DDGD	
C=CCCCNC(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C	279644067	WAEFOSDGULCRIF-JTQLQIEISA-N	314.386	1.196	50	20	DDGD	
COc1ccc(NNC(=O)Cc2c(OC)cccc2OC)nc1	275445845	CBIJYCRVELNWCY-UHFFFAOYSA-N	317.345	1.793	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1	276712470	QGHYXIAAWBQISS-ZIAGYGMSSA-N	321.425	1.515	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)Cc1ccc(C)cc1F	281581022	WKOWZKSYZPEECT-UHFFFAOYSA-N	303.359	1.130	50	20	DDGD	
C[S@@](=O)C1(CNC(=O)NNc2ccc(Cl)nn2)CCC1	281467646	GXQDGLQNYRXUGA-HXUWFJFHSA-N	317.802	1.057	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)Nc1cnc2c(c1)COCC2	371888670	QRTQBTYDJPYEFG-UHFFFAOYSA-N	318.377	1.887	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(N(C)CCC)cc1	281390688	XXQWJADTCTVZIQ-UHFFFAOYSA-N	306.435	1.828	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCC(F)(F)F)c1cccc(F)c1	281198341	KXDJSMNMCBXFAE-UHFFFAOYSA-N	321.274	1.996	50	20	DDGD	
C=C(CBr)COC(=O)COCc1nnc(C)s1	803727126	YOWYBPCPEOMQQB-UHFFFAOYSA-N	321.196	1.857	50	20	DDGD	
Cc1nc(O)c(Br)cc1C(=O)NNc1cnccn1	803119167	RLOYWHHOSIQNAI-UHFFFAOYSA-N	324.138	1.405	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@@H]1CCC[C@@H]1CCO	298331007	ONUDQYQTLTXJNC-LDYMZIIASA-N	300.309	1.537	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@H]2CCOc3ccccc32)O1	297975877	XSRLNWVPFXIXSX-JKOKRWQUSA-N	319.361	1.408	50	20	DDGD	
CC(C)c1scnc1C(=O)NNC(=O)Cc1ccncc1	290305540	JBQNGHFOMPWNDC-UHFFFAOYSA-N	304.375	1.665	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@H](c1ccccc1)C1CC1	802036259	SEQVVLJLAXJJHK-OAHLLOKOSA-N	310.357	1.850	50	20	DDGD	
CN(C)C(=O)CCCC(=O)NNc1cc(C(F)(F)F)ccn1	295560049	MTIYIGLTTLFNLH-UHFFFAOYSA-N	318.299	1.802	50	20	DDGD	
COCCN(C)NC(=O)c1cn2cc(Cl)cc(Cl)c2n1	297185485	UWMYPOPHGSVLHV-UHFFFAOYSA-N	317.176	1.864	50	20	DDGD	
CC(=O)N1C[C@H]2[C@@H](NC(=O)NNC(=O)CC(C)C)CCC[C@H]2C1	808358033	VZBQEGCHYKDUEG-MJBXVCDLSA-N	324.425	1.010	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2cccc(C#N)c2)ccn1	806984824	WRXYYGBUBDDVLI-UHFFFAOYSA-N	311.301	1.044	50	20	DDGD	
COc1ccc(CCCC(=O)NNC(=O)[C@H]2CCCCO2)cc1	295390810	LJGYIRNTHQSPDP-OAHLLOKOSA-N	320.389	1.734	50	20	DDGD	
COCc1ncsc1C(=O)NNc1cc(Cl)nc(C)n1	806932699	KGSZNXGLXUKGSQ-UHFFFAOYSA-N	313.770	1.798	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)/C=C/c2ccccc2[N+](=O)[O-])O1	294167866	IQFGLUQBTRTEFH-WWCHLGIESA-N	319.317	1.323	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)sc1C	294936670	AAGVLXCWIWJRPX-WPRPVWTQSA-N	318.420	1.242	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CCCNC(=O)C1CC1	298444152	SJJVBYMLGSUDNA-UHFFFAOYSA-N	303.362	1.062	50	20	DDGD	
Cc1nn(-c2ccccn2)c(C)c1C=NNC(=O)c1cccn1C	802710013	QTMGCMYISUQJLM-UHFFFAOYSA-N	322.372	1.987	50	20	DDGD	
COC(=O)c1nn(C)c(C)c1/C=C(\C#N)C(=O)NCC(C)C	291961952	RRMCICNMKPCDJT-IZZDOVSWSA-N	304.350	1.194	50	20	DDGD	
C[C@@H]1CSC[C@H]1NC(=O)NNC(=O)Cc1ccccc1F	805791522	LYDGUYPYDPXHEB-BXKDBHETSA-N	311.382	1.450	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)N2CCOCC2)cc1C	299394911	SXGPUHHMZLLHOU-UHFFFAOYSA-N	321.377	1.145	50	20	DDGD	
CC/C=C/CNC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	298049824	IPBJHICJNRPWEM-ZWNMCFTASA-N	309.341	1.890	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CC2(F)F)cc1C	294493812	WRCOWUKUVUCEBJ-JTQLQIEISA-N	311.288	1.045	50	20	DDGD	
CC(=O)NNC(=O)[C@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1	298395543	FRWDJPIGYQPBPR-ZDUSSCGKSA-N	303.362	1.132	50	20	DDGD	
CCn1nc(C)c(NC(=O)NNC(=O)[C@@H]2CCCCO2)c1C	297039226	WLFMSKDLOXTQAP-NSHDSACASA-N	309.370	1.242	50	20	DDGD	
COCc1nc(CNC(=O)NNC(=O)CC(C)(C)C)cs1	291155110	JWVILXPTLQRTNA-UHFFFAOYSA-N	314.411	1.556	50	20	DDGD	
Cc1[nH]nc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)c1O	802022400	FHUVDFCTBDVJBU-UHFFFAOYSA-N	309.713	1.544	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN[C@H]1CCCC12CCOCC2	800437483	YBFKFLXBELYXLM-LBPRGKRZSA-N	311.426	1.119	50	20	DDGD	
CC(=NNC(=O)CSc1nc(C)cc(C)n1)c1csnn1	814709726	FDVRZJRWMUHXBL-UHFFFAOYSA-N	322.419	1.577	50	20	DDGD	
CC(=NNC(=O)c1cccn1C)c1cc([N+](=O)[O-])ccc1N	814779595	PLJMBVNRWWIMNI-UHFFFAOYSA-N	301.306	1.670	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2cc(CO)ccc2O)c1	814717095	ZXYNLXYSSQZPFS-UHFFFAOYSA-N	314.341	1.722	50	20	DDGD	
CN(NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccc(Cl)c1)C1CC1	819648093	WYDYGWMPWMZQHQ-HIFRSBDPSA-N	321.808	1.985	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCCCC1)c1csc(N)n1	812440448	AYFYRKVBKVPBOF-SNVBAGLBSA-N	309.439	1.688	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H]2C[C@H](C)Cc3c[nH]nc32)n1	816860452	MBAPFLBLRAGLNU-SCZZXKLOSA-N	302.338	1.018	50	20	DDGD	
COc1cc(C)cc(CNC(=O)NNc2ncncc2F)c1	814314863	TWUNGBWBCMLDSM-UHFFFAOYSA-N	305.313	1.759	50	20	DDGD	
Cc1ccc(C2CC(=NNC(=O)[C@H]3CCS(=O)(=O)C3)C2)cc1	729816169	GEBABDHDRGFCSO-LSLKUGRBSA-N	320.414	1.779	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@@H](O)c1ccc(Cl)cc1	813534809	HLWYKFLOUFOFFG-LBPRGKRZSA-N	317.736	1.559	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1ccc(C)nc1C	814854216	DXJOLUGRTYQMCS-UHFFFAOYSA-N	304.394	1.843	50	20	DDGD	
O=S(=O)(CBr)N1CC2(CCOCC2)[C@H]1C1CC1	815087072	QWZRGLRUXYIXDK-SNVBAGLBSA-N	324.240	1.560	50	20	DDGD	
Cc1cc(F)cc(NC(=O)C(=O)NNc2ncncc2F)c1	815764018	NCHLLRJTDAZFDW-UHFFFAOYSA-N	307.260	1.145	50	20	DDGD	
C[C@H](Oc1cccnc1)C(=O)NNc1nc2ccccc2n1C	816580276	ZPMBEUHVDOOWKK-NSHDSACASA-N	311.345	1.879	50	20	DDGD	
Cc1nnc(NNC(=O)Cc2c[nH]c3cccc(C)c23)nc1O	728962195	ITGSLTCOLBHYGY-UHFFFAOYSA-N	312.333	1.361	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNc1cccc(F)c1C(=O)OC	822727626	FLTFJXOTFALBFA-UHFFFAOYSA-N	320.324	1.665	50	20	DDGD	
O=C(C[C@@H]1CC[C@@H]2C[C@@H]12)NNC(=O)Cn1cnc2ccccc21	822198530	ZFKXKVFFGXOKKO-FRRDWIJNSA-N	312.373	1.620	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCOc1ccccc1	825618280	KXKMPFGXOXTVMS-OCCSQVGLSA-N	321.377	1.211	50	20	DDGD	
COCC(C)(C)CCCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	826798187	QMAOYSXRKNRVMB-NEPJUHHUSA-N	315.414	1.195	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1	823842784	YTJVCXHDKYHHDI-UHFFFAOYSA-N	309.366	1.851	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NN(C)[C@@H](C)CO)cc1	823977102	OHCJHQQQDIQXSK-IGVUGNCQSA-N	303.362	1.336	50	20	DDGD	
CC[C@H](Cc1cccc(C)c1)C(=O)NNC(=O)c1ncccn1	823682469	IAHZGRTXXDUBPE-CQSZACIVSA-N	312.373	1.815	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1	495691658	CAMNYFGCQZUJCP-UHFFFAOYSA-N	319.277	1.124	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNC(=O)Cc1cn2ccccc2n1	491566428	GFFQDMIYMMCRLR-LBPRGKRZSA-N	313.361	1.009	50	20	DDGD	
CCN(CCO)NC(=O)C1(CCOCc2ccccc2)CC1	823873921	IVQFVDYMIYLILC-UHFFFAOYSA-N	306.406	1.719	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1ccn(CCc2ccncc2)n1	490784129	XIEFNGTWAKGOMX-OWBHPGMISA-N	311.345	1.903	50	20	DDGD	
C#C[C@@H](CC)NC(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	491766340	GYZVZOVSOVOMEI-PWSUYJOCSA-N	323.780	1.850	50	20	DDGD	
C[C@@H]1CCCC[C@H]1NC(=S)NNC(=O)Cc1cccnc1	728798664	KVGQRGAYYYECSW-DGCLKSJQSA-N	306.435	1.698	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2	825649312	KVTOVXIOZDJRTJ-RWMBFGLXSA-N	317.389	1.691	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1oc2ccc(F)cc2c1C	497098924	DMWRMIVFNWURMP-UHFFFAOYSA-N	316.310	1.772	50	20	DDGD	
COC(=O)[C@H](CO)NC(=O)CCCC[C@@H]1CCSS1	725906637	WTMHKSFJFONKNW-ZJUUUORDSA-N	307.437	1.351	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCC(C)(C)c2ccccn2)cn1	491046009	GHQHHYZLIINBKW-RIYZIHGNSA-N	309.373	1.816	50	20	DDGD	
CCOc1cc(CN2CC[C@H](B(O)O)C2)cc(Cl)c1OC	585076884	PFGGKLUAZNZFHZ-NSHDSACASA-N	313.590	1.796	50	20	DDGD	
COCCCNC(=O)NNC(=O)C[C@]1(C)CC1(Cl)Cl	822786465	QWNDFAIUVRGROY-SNVBAGLBSA-N	312.197	1.327	50	20	DDGD	
CN(NC(=O)[C@@H]1CCCc2nn(C)cc21)C(=O)OC(C)(C)C	496451849	DEVMWEAQSFPCNL-SNVBAGLBSA-N	308.382	1.738	50	20	DDGD	
COc1nc2sccn2c1C=NNC(=O)c1cccn1C	725848030	SNODGYRIYXMQBR-UHFFFAOYSA-N	303.347	1.507	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(CSc2nc[nH]n2)cc1	823960204	XNSJNSLGCCQMOI-SNVBAGLBSA-N	321.406	1.054	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1ccccc1	495266864	VARYFJZDIOHCKG-LLVKDONJSA-N	321.377	1.462	50	20	DDGD	
C[C@]1(C(=O)NCC2(CO)CCOCC2)C[C@@H]1Br	907098452	FZAZXLMSMSEZMF-ONGXEEELSA-N	306.200	1.065	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)c2cccc(B(O)O)c2)C1(CC)CC	584960469	LMCXJDSHXSDPGD-HUUCEWRRSA-N	319.210	1.080	50	20	DDGD	
O=C(NNc1cnccn1)[C@H]1CCN(c2ccc(F)cc2)C1=O	734242688	UDUOQIHTLDGBMQ-GFCCVEGCSA-N	315.308	1.112	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(Cl)ncc1F	820935984	FBRKQECUIYHHCW-VIFPVBQESA-N	301.705	1.204	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C2=CCCC2)o1	820203005	OIDWIKNMYGBSMX-UHFFFAOYSA-N	303.326	1.532	50	20	DDGD	
CC[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1cnn(C)c1	735446464	ZTHBTEQYALFWID-ZDUSSCGKSA-N	300.362	1.450	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H](O)C2CCCCC2)c(F)c1	837208342	XVAIFJXDRMJIHS-AWEZNQCLSA-N	324.352	1.997	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@]2(C)CCCCO2)n1	839704045	NARKGIPZCWEMQL-OAHLLOKOSA-N	307.398	1.725	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)Cc2cnc[nH]2)cc1C	908325857	YQVZKMLMXBMXMO-UHFFFAOYSA-N	302.334	1.581	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](CC)CC(F)(F)F	838115671	CDJOKFYYHNMXHT-SFYZADRCSA-N	312.288	1.454	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NN=Cc1ccc(CO)o1	739401102	UUKKVEUOZOOUTJ-UHFFFAOYSA-N	319.273	1.209	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)[C@H](C)OCCOC)C1CCCC1	838702576	GKHXVBPJAMMFQF-WCQYABFASA-N	315.414	1.337	50	20	DDGD	
Cc1cc(C)cc(C2(C(=O)Nc3cccc(B(O)O)c3)CC2)c1	584910407	PCAPAPVFBWUIRJ-UHFFFAOYSA-N	309.174	1.654	50	20	DDGD	
COc1ccc(CN(C)C)cc1NCc1ccccc1B(O)O	585013360	SAGHINUGVCFVQB-UHFFFAOYSA-N	314.194	1.049	50	20	DDGD	
O=C(NCC1(Cc2ccccc2)CCC1)c1ccc(B(O)O)cc1	584957903	JYBXPXMKAQVROT-UHFFFAOYSA-N	323.201	1.509	50	20	DDGD	
O=S(=O)(CCl)NC1CCN(Cc2ccc(F)cc2)CC1	830082530	IDTQKSNFEWEQIN-UHFFFAOYSA-N	320.817	1.906	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1[nH]c2ccccc2c1Cl	732082551	IJBSJQFVTGZIDG-UHFFFAOYSA-N	317.736	1.928	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ccccc1C(=O)O)N1CCCC1=O	833465241	IWCQZFRNBIJFAP-AWEZNQCLSA-N	319.361	1.475	50	20	DDGD	
O=C(O)[C@H]1CCC[C@@H](C(=O)NNc2cnnc3ccccc23)C1	833184336	QBQMXDBYJKOEAH-MNOVXSKESA-N	314.345	1.964	50	20	DDGD	
O=C(COCC1CCCC1)NNc1nc(O)c2ccccc2n1	839699767	AGHVGDMASBTXFU-UHFFFAOYSA-N	316.361	1.985	50	20	DDGD	
O=C(NCc1cc[nH]n1)NNC(=O)c1cccc2ncccc12	730119635	XYYGVHPYFKAMBR-UHFFFAOYSA-N	310.317	1.102	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NN=C1CCn2cccc21	734304379	ZPSMVOWAIUTWJG-UHFFFAOYSA-N	321.381	1.420	50	20	DDGD	
CC(C)=CC(=O)NCc1ccc(C(=O)NN(C)C[C@H](C)O)cc1	910164347	VEGAMLAYMKNOOL-ZDUSSCGKSA-N	319.405	1.226	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)CC2(O)CCC2)cc1C	832304046	WZIDZCRNVQJULZ-UHFFFAOYSA-N	306.362	1.920	50	20	DDGD	
CC(C)(C)OC(=O)C1CCC(=NNC(=O)NCC(=O)O)CC1	833431218	QFBRVFHVLNFHKC-UHFFFAOYSA-N	313.354	1.258	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CN2[C@@H](C)CC[C@H]2C)c1F	837060074	HOHLQRMOGTWWFS-PHIMTYICSA-N	323.368	1.928	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccn(-c2ccccc2Cl)n1	910170079	XPDKUPUSHLWFMG-SNVBAGLBSA-N	308.769	1.483	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=Cc2cn3ccccc3n2)cc1	918708274	KRIHNQPFPMWDDX-UHFFFAOYSA-N	319.324	1.735	50	20	DDGD	
CC(=NNC(=O)C(C)C)c1cccc(S(=O)(=O)N(C)C)c1	915947540	CBMVYMAWVPWIBK-UHFFFAOYSA-N	311.407	1.433	50	20	DDGD	
COc1ccnc(C=NNC(=O)COc2ccc(C)c(C)c2)n1	842522067	LHDPJSLWASADDZ-UHFFFAOYSA-N	314.345	1.631	50	20	DDGD	
O=C(NCc1noc2ccccc12)NNC(=O)C1CCCC1	847473605	KJKLIVSHESQEGI-UHFFFAOYSA-N	302.334	1.848	50	20	DDGD	
CC(=O)Nc1ccc(C)c(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	843653440	CAVIEYAFVGUYDK-ZWNOBZJWSA-N	319.361	1.139	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(C#N)cc2)ccc1-n1cnnn1	748114866	GTXLYBQSRHXFRQ-UHFFFAOYSA-N	319.328	1.599	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(Cl)nc(C2CC2)c1	847062696	NMOPRYHUIVLZBT-GFCCVEGCSA-N	323.780	1.943	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=S)NCC1CC1	849252307	BJGPCAVRGIWZBV-VIFPVBQESA-N	311.382	1.498	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(F)c1Cl	843659664	YLWJKQRJYFJUKP-IUCAKERBSA-N	314.744	1.974	50	20	DDGD	
CC[C@H](C(=O)NNc1ccc(CC(=O)OC)cc1)C(=O)OC	846376121	SKTVMFJEIVBYLY-GFCCVEGCSA-N	308.334	1.044	50	20	DDGD	
CCN(CC)c1ncc(C=NNC(=O)c2ncccn2)s1	841663677	YBAJJXSXMXEEGE-UHFFFAOYSA-N	304.379	1.543	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccccc1Cn1cccn1	746166103	WBEJDMVXFJYHDH-UHFFFAOYSA-N	315.377	1.676	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1ccc(N2CCCC2)cc1O	748249179	ULRQPBHMUDKFJI-UHFFFAOYSA-N	304.394	1.394	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(CO)c1	745476603	PSFLDNXHMXZRRW-UHFFFAOYSA-N	315.285	1.162	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@@H](C(=O)O)C(C)C)cc1	848587637	ITEAAKXTWVRDSK-CYBMUJFWSA-N	321.377	1.550	50	20	DDGD	
C[C@@]1(C(=O)NNc2ncc(Br)cn2)CC1(F)F	848322739	MJWGAJDTXVEEMM-QMMMGPOBSA-N	307.098	1.728	50	20	DDGD	
CCCCCCO[C@H](C)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843658000	FKVMUFGYXDQWIV-YNEHKIRRSA-N	300.399	1.544	50	20	DDGD	
CC1(C)CC[C@H]1NCC(=O)NNC(=O)c1ccc(C#N)cc1	846958105	KVYUNFMLRUEURE-CYBMUJFWSA-N	300.362	1.097	50	20	DDGD	
COC(=O)c1coc(C=NNC(=O)c2ccc(Cl)nc2)c1	758114329	ZYGPEUPRAQDQAC-UHFFFAOYSA-N	307.693	1.879	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)NC)cnn1-c1cccc(F)c1	751459153	BCZOKYFCINYUIN-UHFFFAOYSA-N	319.340	1.538	50	20	DDGD	
CC1(C)CCC[C@H](C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1	752728134	VPORUEUSRILKEU-NWDGAFQWSA-N	315.439	1.675	50	20	DDGD	
C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)/C(C#N)=C/c1ccc(F)cc1	924158573	FRPCMMGLZIFFAA-YDLVVSFTSA-N	322.361	1.282	50	20	DDGD	
Cc1nccc(CCC(=O)NNC(=S)N[C@H](C)C2CC2)n1	855097604	UNWCUNWOYYWPTI-SECBINFHSA-N	307.423	1.011	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](C)Sc2ccccn2)n1	754239646	NNDGYDLATTXFDY-JTQLQIEISA-N	319.390	1.813	50	20	DDGD	
Cn1ncc(Cl)c1C(=O)NC[C@@]1(C)C[C@@H]1Br	857408375	VOWVIXJOULEWBT-OIBJUYFYSA-N	306.591	1.977	50	20	DDGD	
CC[C@H]1COCC1=NNC(=O)C1CCN(c2ncccn2)CC1	853302449	CJLZDUMTYIWQFP-LBPRGKRZSA-N	317.393	1.222	50	20	DDGD	
N#Cc1ccc(NC(=O)NNC(=O)c2cnccn2)cc1Cl	755423697	GDMNJHCPJDPVDO-UHFFFAOYSA-N	316.708	1.468	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H](C)c2nccn2C)cc(C#N)n1C	856277238	GWSDDYWOACFPKM-NGPAHMQLSA-N	322.372	1.723	50	20	DDGD	
CC(C)COc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1	755275273	FBGJOCZRFXAHTH-UHFFFAOYSA-N	316.361	1.448	50	20	DDGD	
N#Cc1ccc(Br)c(NNC(=O)[C@H]2CCC(=O)N2)c1	855615711	RFBIWLPFEZTAJI-SECBINFHSA-N	323.150	1.042	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1)[C@H]1CCC(=O)N1	858105635	KYXQVUGIRCWWEA-GZMMTYOYSA-N	309.753	1.016	50	20	DDGD	
Cc1nn(C)cc1C1=NO[C@@H](C(=O)NNc2ccc(F)cc2)C1	929773584	ZKFPNEWFIWSWFU-CQSZACIVSA-N	317.324	1.504	50	20	DDGD	
CNC(=S)N(C)NC(=O)Cc1c[nH]c2ccc(OC)cc12	854926240	XWJQMULDMWYTJP-UHFFFAOYSA-N	306.391	1.186	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cc2ccc(F)cc2F)nc1	759738025	KOLBLWPJIHGUKD-UHFFFAOYSA-N	321.283	1.832	50	20	DDGD	
CC1CC(CNC(=O)NNc2ccc(-n3cccn3)nn2)C1	856959770	IMTCYQMGURRARJ-UHFFFAOYSA-N	301.354	1.335	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1noc2c1CCCC2	855091901	IJZRDYFRKDVVSJ-UHFFFAOYSA-N	308.407	1.462	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)CC(C)C)[C@]12CCCO2	759319817	FFOZCDAIQZWHAE-LALPHHSUSA-N	313.398	1.090	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)[C@H]2CC23CCC3)nc2ccccc21	759691137	VBKJRPFTHBCGHR-LLVKDONJSA-N	312.373	1.453	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(OCC)c(Cl)c1	755971374	DFAFSMOFVZTZHK-UHFFFAOYSA-N	315.757	1.928	50	20	DDGD	
COc1ccc2c(c1)CCN(C(=O)/C(C#N)=C\c1cnn(C)c1)C2	855852424	ZKWGUOMGICIPPE-APSNUPSMSA-N	322.368	1.921	50	20	DDGD	
CSCCC=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1	755588238	OTUBXXMWPNKKFN-AGIUHOORSA-N	301.456	1.587	50	20	DDGD	
CC(=NNC(=O)c1cccc(S(C)(=O)=O)c1)c1ccoc1	755893186	QFJTVAJOMBMKIT-UHFFFAOYSA-N	306.343	1.837	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNC(=O)CSc1ccc(C)cc1	758373150	CVJYEIDPAPTKMX-NSHDSACASA-N	324.402	1.434	50	20	DDGD	
Cc1nc2ccnn2cc1C(=O)NC[C@@]1(C)C[C@H]1Br	857386456	VEMYNVMTMHBVHK-ZWNOBZJWSA-N	323.194	1.941	50	20	DDGD	
CO[C@](C)(C1CC1)[C@H](C)NC(=O)NNc1ncc(Cl)cn1	856915465	DAWROBOJVVUDCK-SDBXPKJASA-N	313.789	1.960	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@]1(C#N)CC12CCCC2	854285055	FTZFHNJTJIVTDG-OAHLLOKOSA-N	324.450	1.334	50	20	DDGD	
O=C(CN1CCc2ccccc21)NNC(=O)CC(F)(F)F	921203176	CTBWXDIZUYHUFB-UHFFFAOYSA-N	301.268	1.149	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H](CC(C)C)NC(C)=O)cc1	858142540	DSLGWAJUPJTRCB-OAHLLOKOSA-N	319.405	1.561	50	20	DDGD	
N#Cc1cc(C(=O)NNc2cc(Cl)nc(N)n2)ccc1Cl	758592286	HPYASULWTITZQD-UHFFFAOYSA-N	323.143	1.994	50	20	DDGD	
CO[C@]1(C)C[C@@H](NC(=O)NNc2ncc(Cl)cn2)C1(C)C	856873935	YCHWBHLSGLTMLB-NOZJJQNGSA-N	313.789	1.960	50	20	DDGD	
Cc1cnc(C=NNC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)o1	853373319	AAUKLKOSOCTLDI-DGCLKSJQSA-N	317.349	1.335	50	20	DDGD	
CCN(C(C)(C)C(=O)OC)S(=O)(=O)CC(C)(C)CCl	922001164	VWYYYMOBWAVXNP-UHFFFAOYSA-N	313.847	1.855	50	20	DDGD	
CC1(C)CN(C(=O)NC[C@@]2(C)C[C@H]2Br)CCN1	857105643	OWEGPURCDCNSSR-BXKDBHETSA-N	304.232	1.553	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NN(C)C(=S)NCCCOC	854280958	KTFUEDQLNAJCFX-NSHDSACASA-N	305.444	1.066	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CCCCS2(=O)=O)C[C@@H]1Br	857393468	GTFWBXPYGJDIMF-ATZCPNFKSA-N	324.240	1.243	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2cccnc2)c(N(C)C)n1	757763159	YRVREEXOCCHRRU-UHFFFAOYSA-N	314.349	1.318	50	20	DDGD	
O=S(=O)(CBr)N[C@H]1Cc2cccc(O)c2C1	758173254	DRQVCMIOJJSWOL-QMMMGPOBSA-N	306.181	1.131	50	20	DDGD	
CC(C)N(CCOCCO)C(=O)/C(C#N)=C\c1ccc(O)cc1	854387937	PZOCDNYMAQVPAH-PTNGSMBKSA-N	318.373	1.545	50	20	DDGD	
O=C(NCCN1CCSCC1)NNc1ccc(Cl)cn1	852181761	GAGAOWRSAHMAOM-UHFFFAOYSA-N	315.830	1.410	50	20	DDGD	
CC[C@H]1COCC1=NNC(=O)NCCNC(=O)OC(C)(C)C	853308448	JDHXAFXZIFCXFI-JTQLQIEISA-N	314.386	1.223	50	20	DDGD	
COc1ncccc1NC(=O)NNC(=O)c1ccc(Cl)nc1	755917425	UMMNDAZMDGHSRW-UHFFFAOYSA-N	321.724	1.605	50	20	DDGD	
CCC(F)(F)C(=O)NNC(=O)[C@H]1COc2ccccc2O1	854181581	YOBWKCYZCDRXBT-SNVBAGLBSA-N	300.261	1.019	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cc(-c2ccccn2)no1	751061157	RXMCVWDPIFOYKN-UHFFFAOYSA-N	302.334	1.934	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1Br	856892145	CETWZQMKNKWYPS-WSOSLHDDSA-N	303.200	1.779	50	20	DDGD	
C[C@@H]1C(=O)N(C)CCN1C(=O)NC[C@]1(C)C[C@@H]1Br	856903808	UWEYELDEGJCSPQ-PTRXPTGYSA-N	318.215	1.032	50	20	DDGD	
C[C@@]1(CCC(=O)NNC(=O)CCc2ccccc2)CCC(=O)N1	753415266	OPKZAGFAOTYFEU-KRWDZBQOSA-N	317.389	1.216	50	20	DDGD	
CCOc1ccc(C=NNC(=O)c2cn[nH]c2)cc1OCC	863156054	JWJLEMXHLSUOHW-UHFFFAOYSA-N	302.334	1.971	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)CC(C)(C)CCl)CC[C@@H]1C(=O)O	864499941	IGGOCDARRRUNEQ-ZJUUUORDSA-N	311.831	1.624	50	20	DDGD	
C[C@H](NCC(=O)NNC(=O)C1CC1)c1ccc2c(c1)CCCC2	760892384	VRWVDJNZEPNLNV-LBPRGKRZSA-N	315.417	1.773	50	20	DDGD	
COc1nccnc1NNC(=O)COc1cc(C)cc(C)c1	764469679	LSTBUUXKGHQGSQ-UHFFFAOYSA-N	302.334	1.624	50	20	DDGD	
COCC(=O)NNC(=O)Nc1nc(-c2ccccc2)ns1	761852861	MGYZGBUGNNNIDB-UHFFFAOYSA-N	307.335	1.004	50	20	DDGD	
N#CC1=CCN(C(=O)[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1	860501908	DYSHDTNFFKPTQZ-MRXNPFEDSA-N	309.369	1.831	50	20	DDGD	
CCOC(=O)N1CCC(C(=O)NN[C@H](C)C(F)(F)F)CC1	862304374	ARBXLZMHDUGCGT-MRVPVSSYSA-N	311.304	1.427	50	20	DDGD	
Cc1cccc(NNC(=O)/C=C\CN(C)CC(F)(F)F)n1	862519938	XQWSYFHPANWTHK-DAXSKMNVSA-N	302.300	1.883	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCc1cncc2ccccc12	765496440	PKHIALIEMOIPEG-UHFFFAOYSA-N	323.356	1.660	50	20	DDGD	
C[C@H](NNC(=O)CCc1nc(-c2ccoc2)no1)C(F)(F)F	862313115	CGMICPYJOGFXTL-ZETCQYMHSA-N	318.255	1.834	50	20	DDGD	
COCC(=O)NN=C(C)c1c(F)cccc1N1CCOCC1	761819393	VCZMZVFXYAIOEP-UHFFFAOYSA-N	309.341	1.149	50	20	DDGD	
CC(C)(C(=O)NNC(=O)C(=O)N1CCCC1)C1CCCCC1	766847897	ICTLEUPACHAXJK-UHFFFAOYSA-N	309.410	1.363	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1cn(C2CC2)nn1	861515165	RBDCFBMNAFVFBT-UHFFFAOYSA-N	300.322	1.388	50	20	DDGD	
Cc1nnc(O)c(C(=O)NNCC(F)(F)C(F)(F)F)c1C	863093695	YFVAAPNYPYQLPF-UHFFFAOYSA-N	314.214	1.231	50	20	DDGD	
C[C@@H](NNC(=O)c1cc2nccnc2cc1F)C(F)(F)F	862318530	UTZKDXXAWPWSLJ-ZCFIWIBFSA-N	302.231	1.954	50	20	DDGD	
CCN(C(=O)NC[C@]1(C)C[C@H]1Br)[C@H]1CCNC1	1119478151	SYOFRNOUDLTWED-UMNHJUIQSA-N	304.232	1.553	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)C(F)(F)F	862307484	YCHOMBNOLMBSDD-DTWKUNHWSA-N	307.316	1.349	50	20	DDGD	
COc1ccc2c(c1)CCCC2=NNC(=O)[C@H]1CCC(=O)N1	863145223	HUXOAZDYXWMMBW-CQSZACIVSA-N	301.346	1.130	50	20	DDGD	
C#CCC(C)(C)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	767649101	IXZBIJSXMHZNIM-UHFFFAOYSA-N	316.357	1.349	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc(C)c(O)c1	1118607785	CWYIKHNDJIOWOA-UHFFFAOYSA-N	311.407	1.188	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=C1CC(C(F)F)C1	766016977	DBTKUQTUDQZDOD-UHFFFAOYSA-N	302.306	1.161	50	20	DDGD	
Cn1ccc(NC(=O)NNCC(F)(F)C(F)(F)F)cc1=O	879785063	HXSQSCPMJFGRJK-UHFFFAOYSA-N	314.214	1.209	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNc2c(F)cccc2Cl)n1	771675246	VPYIGASROGLTPI-UHFFFAOYSA-N	308.700	1.730	50	20	DDGD	
CC(C)(C)Oc1cccc(C=NNC(=O)[C@@H]2CCC(=O)N2)c1	872392490	MXWZZSGKQDRHJR-ZDUSSCGKSA-N	303.362	1.593	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NNC(=O)c1ccccc1F	877941341	DMMBYIMOCWDUHN-OTYXRUKQSA-N	316.336	1.676	50	20	DDGD	
COC1(OC)CCOC[C@@H]1NC[C@@H](CBr)C1CC1	1119827171	ZABSRZDHIPQEFI-NEPJUHHUSA-N	322.243	1.775	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN[C@@H](c1ccccc1)C1CC1	776015090	KARRFXCRBLOHJZ-HNNXBMFYSA-N	303.406	1.921	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1sc(CC)nc1C	772068712	XRQHVBPXZOFKQI-QMMMGPOBSA-N	313.379	1.117	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2CC3(CCC3)Oc3ccccc32)c1	877095261	QDZJRKVGFPFFAD-QGZVFWFLSA-N	323.201	1.903	50	20	DDGD	
COCCCNC(=O)NN=Cc1cc(OC)c(O)cc1Cl	872345117	NQNASYLAGDROSG-UHFFFAOYSA-N	315.757	1.724	50	20	DDGD	
C[C@@H]1CCCC[C@H]1OCCNC(=O)CN1CC=C(C#N)CC1	779588328	YIEJCNXQLJWJPC-GDBMZVCRSA-N	305.422	1.854	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCc2ccc(F)cn2)cc1	1116285841	JXLSIYZLXCZLRF-UHFFFAOYSA-N	318.308	1.374	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC1(CCOC)CCCCC1	776265626	YELPKPDGGCSVQP-UHFFFAOYSA-N	315.414	1.340	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NN=c1cc[nH]cc1Cl	879133911	MLSPBKNQIHLPLL-ISVAXAHUSA-N	305.769	1.689	50	20	DDGD	
COc1ccc2c(c1)CCC2=NNC(=O)Cn1nc(C)cc1C	872334531	BJKPDGCIBQCYKO-UHFFFAOYSA-N	312.373	1.975	50	20	DDGD	
O=C(NN=C1CCOC2(CCOCC2)C1)c1ccc(O)cc1	884374510	RVFVTYCFHXMKFG-UHFFFAOYSA-N	304.346	1.838	50	20	DDGD	
Cc1cn(-c2ccccc2)nc1C(=O)NNC(=O)c1ccccn1	770202095	JWPSUDYKXWECET-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
Cc1ocnc1CNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	775455812	TYDRAHGLMBAQBY-UHFFFAOYSA-N	319.277	1.035	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2nccnc2C(C)C)CCC1	772822411	FAZXMFBZRQCMQY-UHFFFAOYSA-N	306.366	1.777	50	20	DDGD	
Cn1ccnc1CCC(=O)NNc1ccnc(Br)c1	1123788047	AJWLCBAVPWNTNN-UHFFFAOYSA-N	324.182	1.654	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=Cc1cnccc1N(C)C	776183965	VCNPEYSBWYWXLI-UHFFFAOYSA-N	322.372	1.868	50	20	DDGD	
C#CCCCC(=O)NNC(=O)/C(=C\c1cccs1)NC(C)=O	887150656	RUGXTHUQNRGUPY-JLHYYAGUSA-N	319.386	1.176	50	20	DDGD	
C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)NNC(=O)c1cccnn1	883852994	ZYTLBAHSIIJWCD-NWDGAFQWSA-N	319.409	1.978	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1ccc(OCC(=O)OC)cc1	782178511	BVOROIGPJAHXKV-UKTHLTGXSA-N	319.313	1.335	50	20	DDGD	
O=C(NCc1ccc2c(c1)COC2)NNc1ncncc1Cl	781012061	QYVZOKRHTBMIDN-UHFFFAOYSA-N	319.752	1.987	50	20	DDGD	
CN(CC(=O)NNC(=O)C1CC1)CC1(c2ccccc2)CC1	781931802	FVPOUCFJCQHWGI-UHFFFAOYSA-N	301.390	1.207	50	20	DDGD	
O=C(NCCOC(F)(F)F)NNc1ncnc2ccsc12	788844431	VWKGAWBKQITLGM-UHFFFAOYSA-N	321.284	1.854	50	20	DDGD	
COCCn1ccc(C(=O)NNc2ncnc3ccsc23)n1	784445673	MQHYLNZCGQXZEK-UHFFFAOYSA-N	318.362	1.291	50	20	DDGD	
COc1nccnc1NNC(=O)c1cccc(NC(C)=O)c1C	785416366	PUEVRRKRXGWFRM-UHFFFAOYSA-N	315.333	1.509	50	20	DDGD	
CCn1cccc(CNC(=O)NNC(=O)c2ccccc2)c1=O	789298150	JAYJNBUIBJHSHF-UHFFFAOYSA-N	314.345	1.012	50	20	DDGD	
Cc1ccnc(-n2nccc2NC(=O)NNC(=O)C(C)C)c1	788300344	RVFLTXAXIWYRQT-UHFFFAOYSA-N	302.338	1.384	50	20	DDGD	
Cc1ccc([C@@H]2COCCN2S(=O)(=O)CCCCl)o1	881906690	XJQACOJIXCDIFV-NSHDSACASA-N	307.799	1.920	50	20	DDGD	
CC(=O)N[C@]1(c2nc(C)no2)CCN(C[C@@H]2[C@H](C)[C@H]2Cl)C1	895029257	MWUHCZTXMCLWKA-KIQSINFKSA-N	312.801	1.288	50	20	DDGD	
CC1(C)CC[C@@H](C(=O)OCC(=O)NNC(=O)c2cccs2)C1	781705313	OCZGBKVBVJRJMD-SNVBAGLBSA-N	324.402	1.879	50	20	DDGD	
COCC(=O)NNC(=S)Nc1cccc(OC(F)(F)F)c1	783748863	ONIGJWSTHQQMOT-UHFFFAOYSA-N	323.296	1.549	50	20	DDGD	
CN(C)C(=O)NN=Cc1cccc(I)c1	789000387	IYLVDUWZFQDRPL-UHFFFAOYSA-N	317.130	1.896	50	20	DDGD	
CCc1noc(CCCC(=O)NNc2ncncc2Cl)n1	781826673	ZANUTRBZOFACOS-UHFFFAOYSA-N	310.745	1.541	50	20	DDGD	
CN(CC(=O)NN=c1cc[nH]cc1)c1nc2ccccc2s1	780756951	JBJBIKKWHPNARE-UHFFFAOYSA-N	313.386	1.693	50	20	DDGD	
CN(NC(=O)c1cc2ccccc2n1CC(F)(F)F)C(N)=O	787485225	LUNFYIQKIGRQLS-UHFFFAOYSA-N	314.267	1.859	50	20	DDGD	
CCCNC(=O)CCNC(=O)[C@@H](Br)C(C)(C)C	781078639	LMLJUNVITKIIRS-SNVBAGLBSA-N	307.232	1.829	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](F)CC1CCCCC1	796204792	FAXWDSUYILMLCC-CMPLNLGQSA-N	316.373	1.784	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc3c(nc2O)CCC3)n1	794080927	UMVDPKVFNJCLSQ-UHFFFAOYSA-N	312.329	1.054	50	20	DDGD	
N#CCC1(CNC(=O)NNC(=O)Cc2ccc(F)cc2)CC1	797563396	ZXWSRQRETJHAEF-UHFFFAOYSA-N	304.325	1.392	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1cccc(O)c1O	790693710	YPFPRDPWYRRJBH-UHFFFAOYSA-N	322.342	1.258	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCC(F)(F)C2)cc1	794882820	HWPYKEHBUNROLL-LLVKDONJSA-N	312.316	1.957	50	20	DDGD	
O=C(NNC(=S)NCCCCC(F)(F)F)c1cnccn1	794971403	GYYCVGSDDQDSJO-UHFFFAOYSA-N	321.328	1.318	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	796434288	LXQHAGOMKBMZRO-MRXNPFEDSA-N	311.345	1.573	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=C1CCOC[C@@H]1C	794471249	MNOWWHFXBPXTLE-NSHDSACASA-N	300.362	1.873	50	20	DDGD	
COCCOCCC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1599251034	QSBBPBNLKFMZLO-UHFFFAOYSA-N	313.262	1.252	50	20	DDGD	
COC1(CO)CCN(C[C@H](CBr)C2CC2)CC1	701842542	GPWHOPRVNCLAEJ-LBPRGKRZSA-N	306.244	1.881	50	20	DDGD	
O=C(NN=Cc1ccc2c(c1)CCO2)c1n[nH]c2c1CCCC2	1319136266	OOXDMUJGCBCXJN-UHFFFAOYSA-N	310.357	1.987	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2CCC[C@@H]2CCO)cc1	1320619054	SYQPBXGSIZYJHH-RISCZKNCSA-N	321.377	1.190	50	20	DDGD	
CN(C)Cc1cc(C(=O)NNc2nc3ccccc3[nH]2)no1	1323845251	CCMCFIKYSONGEV-UHFFFAOYSA-N	300.322	1.369	50	20	DDGD	
CCC(CC)[C@@H](C(=O)NNc1ccn(C)n1)N1CCOCC1	1320950008	WJGUDYWVTJTMMZ-AWEZNQCLSA-N	309.414	1.000	50	20	DDGD	
Cc1ccc([C@H](C)NC(=O)NNC(=O)C2CCNCC2)cc1	1325349779	PYGKWAPOPWZATK-LBPRGKRZSA-N	304.394	1.386	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)N[C@@H]1CCC[C@@H](F)C1	1326299352	PCOJYXXFXBNBSJ-GHMZBOCLSA-N	319.344	1.569	50	20	DDGD	
N[C@@H](C(=O)NNc1nc(-c2ccncc2)no1)C1CCCCC1	1326687167	AZLZOMKHGYCKCD-GFCCVEGCSA-N	316.365	1.482	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc3ccccc3c2)C1	1328755809	ALSHQRHCXASAGO-SHTZXODSSA-N	313.357	1.961	50	20	DDGD	
CC(C)(C)Oc1cc(F)ccc1NC(=O)NNC(=O)CCO	1321215777	XIQFQSPQNAHQGY-UHFFFAOYSA-N	313.329	1.538	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CCCc1ccc(O)c(F)c1	1255557581	MPAFSQUFYNQCTP-UHFFFAOYSA-N	313.398	1.758	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cccc(-c2cnn(C)c2)c1	1252088401	NJTNNGUJFUCHMJ-UHFFFAOYSA-N	317.418	1.604	50	20	DDGD	
C=C(C)CCC(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	1336740653	XLZTVNIYMZKVMK-UHFFFAOYSA-N	322.361	1.830	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)NCC3(N)CC3)cc2C1	1337029243	CLPMABBQDPOLOE-SECBINFHSA-N	322.434	1.308	50	20	DDGD	
Cn1cnc(CNC(=O)NNc2ccc(C(C)(C)C)nn2)c1	1334355590	GGDOWARMIQQZFV-UHFFFAOYSA-N	303.370	1.334	50	20	DDGD	
COC(=O)c1cccc(C=NNC(=O)c2ccc(O)c(O)c2)c1	1344416426	RTANLXAJZIKZIA-UHFFFAOYSA-N	314.297	1.648	50	20	DDGD	
CC(=NNC(=O)CCN1CCC(C)CC1)c1cn(C)c(C)n1	1344636810	DOYGSKKXQLDBAK-UHFFFAOYSA-N	305.426	1.691	50	20	DDGD	
COc1ccc2c(c1F)NC(=O)C2=NNC(=O)C1CCOCC1	1349838721	JGXSMSQLYOFXJT-UHFFFAOYSA-N	321.308	1.033	50	20	DDGD	
COC(=O)CCCCC(=O)NNc1ccc(-c2nn[nH]n2)cc1	1609298445	UQBHYARBHRAGSF-UHFFFAOYSA-N	318.337	1.043	50	20	DDGD	
COc1ccc(C(=O)NNc2cccc(C(=O)O)c2)c(O)c1	1607206027	APFJGDNILGIUNJ-UHFFFAOYSA-N	302.286	1.856	50	20	DDGD	
Cc1oc(C=NNC(=O)c2ccc(CN(C)C)o2)cc1C(=O)O	1608042955	JMVCAEABDRXAQM-UHFFFAOYSA-N	319.317	1.705	50	20	DDGD	
Cc1ocnc1CNC(=O)NNc1cccc(C(=O)O)c1F	1600861554	QFYBXGMJZDUVEV-UHFFFAOYSA-N	308.269	1.647	50	20	DDGD	
O=C(NC[C@H]1CCC=CO1)NNc1ccc(F)c(C(=O)O)c1	1608436178	SGZCEVKOTWPFBN-SNVBAGLBSA-N	309.297	1.843	50	20	DDGD	
Cc1ncccc1NC(=O)C(=O)NNc1cccc(C(=O)O)c1	1600754100	UEWWVWDMQLEIFX-UHFFFAOYSA-N	314.301	1.170	50	20	DDGD	
CC(=O)CC(C)(C)CC(=O)NNc1ccc(-c2nn[nH]n2)cc1	1602914472	MLOORBAPPOYCJO-UHFFFAOYSA-N	316.365	1.705	50	20	DDGD	
CC(=NNC(=O)[C@@]1(C)CCCO1)c1ccc(-c2nn[nH]n2)s1	1602906969	QPMAWHSCRNRLLI-CYBMUJFWSA-N	320.378	1.338	50	20	DDGD	
Cn1nccc1CCNC(=O)NNc1ccc(C(=O)O)cc1F	1601035398	AMNMIMXAYSJDKB-UHFFFAOYSA-N	321.312	1.126	50	20	DDGD	
O=C(O)CC[C@H]1CCCN(S(=O)(=O)CCCCCl)C1	1611426049	QFJFNFDJIOOUIB-LLVKDONJSA-N	311.831	1.912	50	20	DDGD	
CCC(Cc1ccccc1)=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549316498	GYXITWGSMHAVHX-IAGOWNOFSA-N	315.417	1.975	50	20	DDGD	
CCC(=O)N1CCC2(CCCN(C(=O)[C@@H](O)CCl)C2)CC1	1805519803	VUPIURJWONUAHE-LBPRGKRZSA-N	316.829	1.227	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@H]1C(=O)NCC(Cl)Cl	1552139412	QWMRZEHBXHKSDI-SCZZXKLOSA-N	306.193	1.901	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@@]1(C)CCNC1	1578265940	RNVXSYXLSZGLQS-INIZCTEOSA-N	320.462	1.875	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCCNC2CCCCCC2)cn1	1579959619	UEXRNEZZXKZHEQ-XNTDXEJSSA-N	315.421	1.756	50	20	DDGD	
N[C@H](CCC(=O)NNC(=O)c1ccnnc1)CC1CCCCC1	1580128357	SNWWQQABFQTDMI-CQSZACIVSA-N	319.409	1.316	50	20	DDGD	
CC(C)C#CC(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1589389979	VNYIYZJZQKUXLX-UHFFFAOYSA-N	304.741	1.623	50	20	DDGD	
NC1(C(=O)NNc2cc(F)ccc2F)Cc2ccccc2C1	1580139244	CIVYHVMSDVDXPI-UHFFFAOYSA-N	303.312	1.904	50	20	DDGD	
O=C(/C=C\[C@H]1CCCNC1)NNC(=O)c1cccc(Cl)n1	1580493795	LHGALESVVFYJIH-JYESYGNLSA-N	308.769	1.052	50	20	DDGD	
CCOC(=O)C1(CC(=O)NNc2ncccc2C(=O)O)CCC1	1590177946	MLOBCBRJQNMABR-UHFFFAOYSA-N	321.333	1.346	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)c2cc(F)c[nH]2)C1	1846221972	SSTOSARYLAGRBJ-SNVBAGLBSA-N	317.723	1.505	50	20	DDGD	
C[C@@H]1COCC[C@@H]1NC(=O)NNc1ccc(C(=O)O)cc1F	1594604533	QNUVRPDHRYNYSR-KCJUWKMLSA-N	311.313	1.575	50	20	DDGD	
CCOc1ccc(CC(=O)NNc2ncccc2C(=O)O)cc1	1592447393	IYLZMTLNGQGTOS-UHFFFAOYSA-N	315.329	1.864	50	20	DDGD	
CCC[C@@H]1C[C@H]1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	1590653562	KCKBRLYQWGKAHI-VXNVDRBHSA-N	321.772	1.794	50	20	DDGD	
O=C(NN=C1CCCn2nccc21)Nc1ccc(C(=O)O)cc1	1776045828	NDEXGPQXOUDVBE-UHFFFAOYSA-N	313.317	1.901	50	20	DDGD	
Cn1nnc(C=NNC(=O)c2cccc(C(=O)O)c2)c1C(F)F	1776096074	JRNVWQHQWKSDAI-UHFFFAOYSA-N	323.259	1.215	50	20	DDGD	
CCCNC(=O)c1ccc(NC(=O)NNC(C)=O)cc1Cl	162112549	KODJLMDRLYXOFS-UHFFFAOYSA-N	312.757	1.652	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1cnc2ccccc2n1	163615005	LRXYEDCJBMNLMS-NSHDSACASA-N	304.350	1.515	50	20	DDGD	
CS[C@@H](C)CNC(=O)NNC(=O)c1cccc2ncccc12	163829963	DZFLHPJLOFFIEY-JTQLQIEISA-N	318.402	1.930	50	20	DDGD	
C=CCCOCCNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	155184176	SRVIEUDORNFUJJ-DHDCSXOGSA-N	312.373	1.821	50	20	DDGD	
CCc1ccccc1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	154370056	BHCPOXDNACAXJJ-CYBMUJFWSA-N	310.419	1.355	50	20	DDGD	
CCN1CCN(S(=O)(=O)c2ccc(CCCl)cc2)CC1	34689140	ODEHEHQNROWXPA-UHFFFAOYSA-N	316.854	1.794	50	20	DDGD	
ICCN1CC[C@H](CN2CCOCC2)C1	190914551	MCNYGNXYHLYDER-NSHDSACASA-N	324.206	1.076	50	20	DDGD	
CCCNC(=O)NNC(=O)COc1ccc2ccccc2c1	6879769	XTBAGHIVPNWKGN-UHFFFAOYSA-N	301.346	1.959	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cncn1-c1ccc(F)cc1	8294262	SCSCVCGOKLXNLP-UHFFFAOYSA-N	302.309	1.573	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)Cc3ccn[nH]3)cc2C1	106417255	MCFNCPZZCWVBFR-SECBINFHSA-N	318.402	1.600	50	20	DDGD	
CCc1c(C(=O)NNC(=O)NC)cnn1-c1ccc(F)cc1	56377147	GKFMMVPAJLVHBM-UHFFFAOYSA-N	305.313	1.148	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Nc1cc(C)nn1C	56501789	MWZYBWYOUJRSNG-UHFFFAOYSA-N	317.349	1.133	50	20	DDGD	
C[C@H]1CCC[C@H]1NC(=O)NNC(=O)COc1ccc(F)cc1	105310515	DNLPWLSTGALCKI-GXFFZTMASA-N	309.341	1.724	50	20	DDGD	
C=CCc1ccc(OCC(=O)NNC(=O)NC2CC2)c(OC)c1	64428228	HMUQFGWFARHADV-UHFFFAOYSA-N	319.361	1.295	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1n[nH]c2ccccc2c1=O	111606974	ARODRVOOYVDNMF-UHFFFAOYSA-N	302.334	1.120	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@@](C)(c2ccccc2)C1	113264945	ZFVZCPQRLWGSPF-RDTXWAMCSA-N	317.433	1.986	50	20	DDGD	
COc1ccc(-c2ncc(C(=O)NNC(=O)N(C)C)s2)cc1	172907697	DZOQQIHUJFGGGF-UHFFFAOYSA-N	320.374	1.735	50	20	DDGD	
O=C(NC[C@H](O)C1CCCCC1)NNC(=O)c1ccccc1	69260899	COZMFSSCGZHUQN-AWEZNQCLSA-N	305.378	1.572	50	20	DDGD	
C[C@@H](OCC1CC1)C(=O)NNC(=O)NCCc1cccs1	68456219	SRDYJPWEOMYKEA-SNVBAGLBSA-N	311.407	1.436	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)NC(C)C	63270227	VARKPBIHQQEISX-UHFFFAOYSA-N	303.366	1.338	50	20	DDGD	
Cn1c(NNC(=O)CC2CCOCC2)nc2ccccc2c1=O	117260184	MPVBJHAYPQJADS-UHFFFAOYSA-N	316.361	1.193	50	20	DDGD	
O=C(NNc1ccccc1)N[C@@H]1CCN(CC(F)(F)F)C1	114949057	YYSUQFWAYRQGLL-LLVKDONJSA-N	302.300	1.949	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1C1CC1)c1ccc2c(c1)OCCO2	176601629	KQNCIHRDGNJXCX-NWDGAFQWSA-N	302.330	1.265	50	20	DDGD	
CCc1ccc(/C=C/C(=O)NNC(=O)NCC(F)(F)F)o1	120654287	ZQHUSPCJUUJACQ-AATRIKPKSA-N	305.256	1.748	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1cc(Cl)ccc1F	173930971	UOVOWPVUBKDABI-UHFFFAOYSA-N	306.688	1.902	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNC(=O)c2cccnc2)cc1	121854340	GKEDSLLKQWONSE-GFCCVEGCSA-N	313.357	1.730	50	20	DDGD	
COCCCOc1cccc(C(=O)NNc2ncc(F)cn2)c1	122750338	DVOJBBYZMNSCPK-UHFFFAOYSA-N	320.324	1.788	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)c1cc(Br)c[nH]1	124421163	JABFOCDEDMVQMP-QMMMGPOBSA-N	320.212	1.680	50	20	DDGD	
O=C(COc1ccc2ccc(=O)oc2c1)NNc1ccncc1	180534995	UDYBYHFIYJTMMM-UHFFFAOYSA-N	311.297	1.710	50	20	DDGD	
CC(C)c1ncc(Cl)c(C(=O)NNC(=O)c2ccc[nH]2)n1	122389441	ABBFWZWAZJZULM-UHFFFAOYSA-N	307.741	1.656	50	20	DDGD	
CN(C)C1(C(=O)NNC(=O)c2ccc(Cl)cc2F)CCC1	120130184	MIGLFCMTACAJRS-UHFFFAOYSA-N	313.760	1.724	50	20	DDGD	
CCCc1ccc(NC(=O)C(=O)NNC(=O)c2ccc[nH]2)cc1	123212974	LFPDXOUJLGCKRX-UHFFFAOYSA-N	314.345	1.367	50	20	DDGD	
C#CCOc1ccccc1NC(=O)NNC(=O)c1cc(C)n[nH]1	188113658	BUYJABSNGQQRDQ-UHFFFAOYSA-N	313.317	1.197	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)C(=O)c1cnn(C)c1	181321244	ZJNARJMYSUHWLX-UHFFFAOYSA-N	309.329	1.603	50	20	DDGD	
Cc1cc(Cl)c(C(=O)NNC(=O)N2CCOCC2)cc1C	181871591	OUYYYHOGMUJKLF-UHFFFAOYSA-N	311.769	1.643	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)COc1cc(C)ccc1C	124779110	DIBLHUABSLGLIT-CYBMUJFWSA-N	310.419	1.971	50	20	DDGD	
O=C(NNC(=O)c1cccnc1Br)c1ccccc1	125124304	OEDVWRSVKKFBBG-UHFFFAOYSA-N	320.146	1.919	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cccc(OC(F)F)c1	126645162	FVLOZOICQRPNEQ-LLVKDONJSA-N	314.288	1.618	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)c2cccc(N(C)C)c2)cn1	74397672	LNLLRFRXZQXNDM-UHFFFAOYSA-N	301.350	1.044	50	20	DDGD	
CCC(CC)(C(=O)NNC(=O)c1cnn(C)c1)c1ccccc1	75200890	JKPMJQURKVZQOR-UHFFFAOYSA-N	314.389	1.939	50	20	DDGD	
Cc1cc(C)c(/C=C/C(=O)NNC(=O)C(=O)NC(C)C)cc1C	42850797	VGZAHZMRJWDNJV-VOTSOKGWSA-N	317.389	1.297	50	20	DDGD	
Cn1cccc(NC(=O)C(=O)NNc2ccc(Cl)cc2)c1=O	131125915	JGKSLSGJZCLUTE-UHFFFAOYSA-N	320.736	1.121	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)c1cccnc1)c1ccccc1F	191851135	MZDOWHVCORTTPZ-INIZCTEOSA-N	317.320	1.544	50	20	DDGD	
CNC(=O)c1ccc(CNS(=O)(=O)CCCCl)cc1	40809581	CRGWLTWGPMMZKR-UHFFFAOYSA-N	304.799	1.095	50	20	DDGD	
CCCCOCCCNC(=O)NNc1ccc(Cl)nn1	48855115	GACQDFVGORWMJH-UHFFFAOYSA-N	301.778	1.963	50	20	DDGD	
O=C(NNC(=O)[C@H]1Cc2ccccc2O1)c1ccc(Cl)nc1	194552651	DWZQAUJFBLUFJC-GFCCVEGCSA-N	317.732	1.500	50	20	DDGD	
CN(CCCNC(=O)NNc1ncccn1)Cc1ccccc1	45126230	XBAHRDOBQSPWDC-UHFFFAOYSA-N	314.393	1.625	50	20	DDGD	
COC(=O)CCCN(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	194264468	ZSZUPNJXYYFSCZ-RAXLEYEMSA-N	302.330	1.711	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C(=O)c2ccccc2)c1	194011965	BEJHXDMVNSBAJW-UHFFFAOYSA-N	312.325	1.404	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)Nc2ccncn2)c1	194069029	AGZNWNQCGZIOJD-UHFFFAOYSA-N	300.322	1.009	50	20	DDGD	
Cn1cc(/C=C\C(=O)NNC(=O)c2ccc(Cl)cc2)cn1	96845190	FTBGYUWSLOJMDE-UQCOIBPSSA-N	304.737	1.548	50	20	DDGD	
CNC(=O)NNS(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C	98092824	QAMJHHRSBZAZRI-UHFFFAOYSA-N	313.423	1.723	50	20	DDGD	
O=C(/C=C\c1ccc(Cl)nc1)NNC(=O)NCc1ccco1	255669594	ASKOQCKBZPXVMJ-XQRVVYSFSA-N	320.736	1.872	50	20	DDGD	
O=C(NC[C@@H](c1ccco1)N1CCCC1)NNC(=O)C1CCC1	264750423	QYZVVNGVYBLFHW-ZDUSSCGKSA-N	320.393	1.547	50	20	DDGD	
CO[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ccccc1C	266576024	LFCGPEQZWDKBML-KBPBESRZSA-N	305.378	1.897	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@H]2CSCCS2)o1	268183792	WPVDNRRDPAEGDO-SECBINFHSA-N	315.420	1.381	50	20	DDGD	
CCOC(=O)c1cnc(C)c(C(=O)NNC(=O)CC(C)C)c1	271183576	MTEQZSHXDFJCDM-UHFFFAOYSA-N	307.350	1.374	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H]2CCSC2)c1	279354579	SFNJPASYAWCKIX-JTQLQIEISA-N	309.391	1.852	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)[C@@H]1CCCN1C1CC1	279133169	YINABZFFBIQAQO-LBPRGKRZSA-N	314.349	1.202	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CC(C)(C)C#N	278182027	FHBPLYWEWWHLPX-SNVBAGLBSA-N	307.325	1.680	50	20	DDGD	
C[C@@H]1CCN(CC(=O)NNC(=O)c2ccccc2)CC1(C)C	273658531	HQLJRNSZEMQKEP-CYBMUJFWSA-N	303.406	1.816	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2csc3c2CCCC3)CC1	278657777	PFHIZGDHFBQYLD-UHFFFAOYSA-N	322.434	1.229	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc(Cl)cc1O)C1CC1	270744806	SROYZUSUCHLOKE-UHFFFAOYSA-N	311.769	1.291	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@H]1CCN2CCC[C@@H]2C1	373933669	NEQDWKQYGYVPIK-UONOGXRCSA-N	302.378	1.257	50	20	DDGD	
COC(=O)NNC(=O)[C@H]1CCCCN1Cc1cccc(C)c1	372819332	JRUYJFAMUPLOBJ-CQSZACIVSA-N	305.378	1.737	50	20	DDGD	
CC(C)(C)c1ncsc1C(=O)NNC(=O)NCC(F)(F)F	281395365	YFVJLTYGQDKAII-UHFFFAOYSA-N	324.328	1.947	50	20	DDGD	
CC(C)(O)CC(=O)NNC(=O)c1cc2c(s1)CCCCC2	280031474	RKBJHKHOFZPTID-UHFFFAOYSA-N	310.419	1.939	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CCC1	284391383	CDFRNJINLOWUFH-UHFFFAOYSA-N	320.345	1.036	50	20	DDGD	
Cn1cncc1CCC(=O)NNC(=O)C(C)(C)c1ccccc1	280438411	FAVVZMDYRWMGMV-UHFFFAOYSA-N	314.389	1.478	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)c2ccccc2)[C@@H]1[C@@H]1CCCO1	290944735	CCXUWPRWYKXITH-UONOGXRCSA-N	317.389	1.930	50	20	DDGD	
O=C(CC[C@@H]1CCCN1)NNc1nc(-c2cccnc2)no1	292178436	WQMWYLWSYKVRHD-NSHDSACASA-N	302.338	1.107	50	20	DDGD	
O=C(COCc1ccccn1)NNc1ccc2c(=O)[nH]ccc2c1	807507313	NYUVGTWFWXGNMM-UHFFFAOYSA-N	324.340	1.583	50	20	DDGD	
CO[C@H](CNC(=O)NNc1ccncn1)Cc1ccccc1	297858655	PDPRGSSJJHCWOE-ZDUSSCGKSA-N	301.350	1.360	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1cccc(-n2cccc2)c1	292911182	KVLPSJGOBBKYMT-AWEZNQCLSA-N	314.345	1.809	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)c1ccc2ccccc2n1	294260491	QHYZWAOSLLHHSC-AWEZNQCLSA-N	301.346	1.811	50	20	DDGD	
CCC1=C(C(=O)NNC(=O)CCc2ccccc2O)CCCO1	806805684	CYOFFXFFJUKEQS-UHFFFAOYSA-N	318.373	1.947	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1COCCO1	296292729	ZAHWSDDRGMOKJK-SNVBAGLBSA-N	301.686	1.107	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)CSC(F)F	295496816	TUSWLNXHKSDIHX-UHFFFAOYSA-N	319.333	1.210	50	20	DDGD	
CCCn1nc(C)c(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1C	293796001	CLJCVLJJSBBQTI-CABZTGNLSA-N	308.382	1.238	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)CCc1ccc(OC)cc1)OC	291072407	XGNDLWQRZRPMCC-CYBMUJFWSA-N	323.393	1.383	50	20	DDGD	
Cc1cccc(NC(=O)NCC(=O)NNc2cccc(F)n2)c1	804765720	VFQJKPNCTGGNSP-UHFFFAOYSA-N	317.324	1.794	50	20	DDGD	
C[C@@H](NC(=O)C(C)(C)C)C(=O)NNc1nccnc1C1CCC1	805468925	BQCBSZWJVRSOAL-SNVBAGLBSA-N	319.409	1.738	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C[C@H]1CC[C@@H](C)C1	807369766	JNUCOZPYPXZZGV-NEPJUHHUSA-N	300.399	1.749	50	20	DDGD	
NC(=O)c1cc(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)co1	802001797	UTYQTDMDTAZVTN-UHFFFAOYSA-N	324.243	1.123	50	20	DDGD	
CCc1ccccc1N1C[C@@H](C(=O)NN(C)CCOC)CC1=O	293503474	BQTLALZLBTZFQS-AWEZNQCLSA-N	319.405	1.211	50	20	DDGD	
Cc1cnccc1CC(=O)NNc1ccc2c(=O)[nH]ccc2c1	803429446	YIIGLOTWHPBGRD-UHFFFAOYSA-N	308.341	1.917	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2cccc(F)n2)cc1F	807392236	VSZJLNYSFLNLCL-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cncc(C(F)(F)F)c1	809794447	CZLHJBWXSIHCJL-UHFFFAOYSA-N	322.250	1.900	50	20	DDGD	
O=C(CSc1nnc2ccccn12)NCC(Cl)Cl	294471960	RBEKYRPHBZMJAZ-UHFFFAOYSA-N	305.190	1.741	50	20	DDGD	
Cc1ccc(/C=C(/C#N)C(=O)OCC(=O)c2cnnn2C)cc1	803234330	IBXLQNVPRHSEOD-QPEQYQDCSA-N	310.313	1.457	50	20	DDGD	
C[C@@H](NC(=O)CC1CCCCC1)C(=O)NNC(=O)c1ccc[nH]1	299521203	ABTFRJLQBMCAGF-LLVKDONJSA-N	320.393	1.251	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)c1ccccc1	293999094	UXFFHMLFKULSDD-FPMFFAJLSA-N	306.362	1.479	50	20	DDGD	
CCn1nncc1C(=O)NNc1ccc(C(F)(F)F)cn1	293387400	DNGOZVWRFRAFIT-UHFFFAOYSA-N	300.244	1.469	50	20	DDGD	
C[C@H]1CC[C@@H](C=NNC(=O)Cn2nnc(-c3ccccc3)n2)C1	800805049	NRYCKPUAIUXYPQ-QWHCGFSZSA-N	312.377	1.878	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)Cc1c[nH]c2ccccc12	811633465	OKLOLCCGCHMQGS-ZDUSSCGKSA-N	312.373	1.871	50	20	DDGD	
CCc1c(C(=O)NNc2nc(O)c3ccccc3n2)ccn1C	810516828	HXFCZVJYMUDJAI-UHFFFAOYSA-N	311.345	1.993	50	20	DDGD	
Nc1nc(Cl)c(C=NNC(=O)CC2CC2)c(N2CCCC2)n1	814990076	ZYIDDEHTHXIPJG-UHFFFAOYSA-N	322.800	1.563	50	20	DDGD	
Cc1cc2c(cc1C)C(=NNC(=O)C(=O)N1CCCC1)CO2	814824809	LKMNYEYVSGAWKX-UHFFFAOYSA-N	301.346	1.139	50	20	DDGD	
N#CSCCCNC(=O)Cn1cnc(-c2ccccc2)n1	819698661	KJRZWEVMFBTIJI-UHFFFAOYSA-N	301.375	1.666	50	20	DDGD	
O=C(NN=C1CC(C(=O)O)C1)c1nn(-c2ccccc2)cc1O	814757438	APIKAJPGGFHTAA-UHFFFAOYSA-N	314.301	1.158	50	20	DDGD	
CN(C)c1cccnc1CNC(=O)NNC(=O)c1ccccc1	811853555	DRYXZFIBZQSCPQ-UHFFFAOYSA-N	313.361	1.292	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1cc(CO)ccc1O	814764246	UMAITLDHQNTBAP-CYBMUJFWSA-N	319.405	1.457	50	20	DDGD	
CCCC(=NNC(=O)CN1CCCC1=O)c1ccc(OC)cc1	814760830	IEHXGZQAOQRORO-UHFFFAOYSA-N	317.389	1.938	50	20	DDGD	
N#Cc1ccsc1NC(=O)C(=O)NNc1cccc(F)n1	815647631	QBIQVYURAXIGFZ-UHFFFAOYSA-N	305.294	1.236	50	20	DDGD	
CNC(=O)NN=C(C)CCc1ccc(O[C@@H](C)C(=O)O)cc1	814814526	NVVPHQAUIMCMOO-NSHDSACASA-N	307.350	1.776	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)Nc1ccc2c(c1)OCO2	814993948	FDEGERUYEHOLLG-UHFFFAOYSA-N	315.333	1.921	50	20	DDGD	
Cc1c(Cl)cccc1NC(=O)C(=O)NNc1ncncc1F	815765837	FADSARZMRXDTFW-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)[C@H]1CCCSC1	810465412	MBZBTGLRJSOMSJ-NSHDSACASA-N	318.402	1.167	50	20	DDGD	
COCCN(C)NC(=O)c1cnc(SC)n1-c1ccccc1	816562736	XBOMDROGOIGYIE-UHFFFAOYSA-N	320.418	1.817	50	20	DDGD	
O=C(NN=Cc1cccc(C2CC2)c1)N[C@@H]1CCS(=O)(=O)C1	817323895	WYWMDOQBNWKKHR-CQSZACIVSA-N	321.402	1.384	50	20	DDGD	
O=C(NNC(=S)NC1CCC1)Nc1ccc2c(c1)OCO2	814198563	OWEATLYPQJBLKG-UHFFFAOYSA-N	308.363	1.468	50	20	DDGD	
CN(C)CCCCC(=O)NNC(=O)Cc1ccc(Cl)cc1	729282252	NYBWMROYTCNKBD-UHFFFAOYSA-N	311.813	1.762	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=C1CCO[C@H](C)C1	496783504	FRQMEIJEZJEQPK-DGCLKSJQSA-N	323.393	1.574	50	20	DDGD	
Cc1ncsc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	826331269	AYILGAXMIRLRLV-UHFFFAOYSA-N	301.335	1.389	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2CCN2C2CCCC2)n1	820502842	SYCKNVHSQCJZEB-GFCCVEGCSA-N	305.382	1.254	50	20	DDGD	
CC(C)n1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)n1	824371778	RYEUCTCGFUCBPJ-UHFFFAOYSA-N	312.337	1.401	50	20	DDGD	
C=CCONC(=O)/C(C#N)=C\c1cc(C)n(CCOC)c1C	491053111	XLZJVLPXXZCSOB-GDNBJRDFSA-N	303.362	1.892	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cccc(Oc2cnccn2)c1	823951745	MQACLQCRLWYMKZ-NSHDSACASA-N	302.334	1.226	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H]1CCCCN1C	822728049	MKPBOPHECDQESU-LBPRGKRZSA-N	309.341	1.540	50	20	DDGD	
Cc1c(NC(=O)NN(C)C2CC2)cccc1N1CCNC1=O	824314281	LOIHUQHHBNEQOA-UHFFFAOYSA-N	303.366	1.655	50	20	DDGD	
C=C(CI)n1cc(CCCCN)nn1	900641267	QQWPRSGRIIOGQA-UHFFFAOYSA-N	306.151	1.465	50	20	DDGD	
CCN(CC)[C@@H](C(=O)N1CC[C@H](B(O)O)C1)c1ccccc1	585068602	CJYLLJSOPOEFMJ-LSDHHAIUSA-N	304.199	1.145	50	20	DDGD	
COCCn1cc(NC(=O)[C@@]2(C)C[C@H]2Br)cn1	906259629	DRYLXAWLIVBMFT-KOLCDFICSA-N	302.172	1.642	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@]2(C)CCO[C@H]2C2CC2)cn1	491081657	HIODXXKKYNJMCN-KECYGNHHSA-N	314.389	1.648	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCC1CCC(C#N)CC1	826705199	ZEOAEOKOCBXCKT-IKWCTNDRSA-N	308.382	1.072	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H]1CCCC(=O)N1C)c1ccccc1	906643955	YMNHAQRZDSEBHX-UONOGXRCSA-N	317.389	1.339	50	20	DDGD	
CC(C)N(CCC(=O)NN(C)[C@@H](C)CO)C(=O)OC(C)(C)C	823959924	SHBZMSXYTVSKNK-LBPRGKRZSA-N	317.430	1.366	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@](C)(C(=O)OC)c1ccccc1	490695182	MGCOSCIYVPMTKB-MOJYJUKOSA-N	316.357	1.677	50	20	DDGD	
CC(C)C(=O)NN=Cc1c[nH]nc1-c1ccc2c(c1)OCCO2	839398270	QZQSEAQQYYVCKC-UHFFFAOYSA-N	314.345	1.954	50	20	DDGD	
CC[C@H]1CN(CC)CCN1C(=O)/C(C#N)=C/c1cnn(C)c1	490979401	YMFXUESLSDALKY-NHXNDTTKSA-N	301.394	1.270	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(C(=O)N(CC)CC)cc1	494474545	YACIBHSTMJUTOH-UHFFFAOYSA-N	322.365	1.951	50	20	DDGD	
O=C(CCc1ccco1)NNC(=O)COc1ccccc1O	730782340	LGJGIARRKSEAGG-UHFFFAOYSA-N	304.302	1.144	50	20	DDGD	
Cc1cccnc1NNC(=O)C1CCC(N2CCOCC2)CC1	907697172	HYQXDFUJUIGIHJ-UHFFFAOYSA-N	318.421	1.724	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)c1cccc2ncccc12	732532544	MGJUIVUMYBMADO-UHFFFAOYSA-N	305.359	1.385	50	20	DDGD	
Cc1cnc(C(=O)NNc2ccc(Br)nc2)cn1	732838539	RYLLBMBJXLEUKX-UHFFFAOYSA-N	308.139	1.699	50	20	DDGD	
C[C@@H]1CCc2c(F)cccc2[C@H]1NCc1ccc(B(O)O)cc1	585027328	ZXAJDXRNQXRLGF-XIKOKIGWSA-N	313.181	1.919	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)ncn1	734255335	WKQGZGWYRZUMKY-OAHLLOKOSA-N	322.372	1.769	50	20	DDGD	
COC(=O)[C@H](NNC(=O)C1CCOCC1)c1ccccc1C	905814173	DWUSMRAHUHGFFI-CQSZACIVSA-N	306.362	1.257	50	20	DDGD	
C[C@]1(C(=O)NN2CCc3ccccc3C2=O)C[C@@H]1Br	907257368	NVLMZRXEHVTASC-FZMZJTMJSA-N	323.190	1.890	50	20	DDGD	
CCOC(=O)C1(CNC(=O)[C@@]2(C)C[C@@H]2Br)CC1	907450637	LSRJTGQQJIABDQ-KWQFWETISA-N	304.184	1.619	50	20	DDGD	
CC(C)CCCCC(=O)NNc1nc(O)c2cnn(C)c2n1	837417800	YZBPEYZAUGLTGN-UHFFFAOYSA-N	306.370	1.728	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2cc(Cl)ccc2O)CCCCO1	839479122	QNSJTUGONIAWOL-AWEZNQCLSA-N	312.753	1.766	50	20	DDGD	
CCOc1cc(NCc2ccc(B(O)O)cc2)ccc1OC	585011839	FKTUWWGRCZZFSK-UHFFFAOYSA-N	301.151	1.386	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNc1cccc(Br)n1	837211786	KNXPSOLFBMKWPB-LLVKDONJSA-N	302.172	1.838	50	20	DDGD	
CCC[C@@H](OC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)OCC	837970326	BNCZGCZCMJHVES-BWODNOAJSA-N	305.334	1.602	50	20	DDGD	
CC1CCN(C(=O)COC(=O)/C(C#N)=C/c2cnn(C)c2)CC1	837969313	LIKKUKMEOFVCGX-VGOFMYFVSA-N	316.361	1.129	50	20	DDGD	
Cc1cccc(CSCC(=O)NNC(=O)[C@H]2CCCCO2)c1	833260289	BKUWMNYNNSCYBR-CQSZACIVSA-N	322.430	1.945	50	20	DDGD	
C[C@H]1CC(=NNC(=O)[C@@H](C)CN2C[C@@H](C)O[C@H](C)C2)[C@@H](C)O1	834934532	NNIQYWKVLOLLAP-ODXJTPSBSA-N	311.426	1.401	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(CC)Cc1ccc2c(c1)OCO2	731849084	TWUGVQZWQGVKNP-LLVKDONJSA-N	321.377	1.183	50	20	DDGD	
Nc1nc(C2CCCC2)ncc1C(=O)NNC(=O)CC1CC1	832913169	WFTRCLPHCCMWDU-UHFFFAOYSA-N	303.366	1.278	50	20	DDGD	
COC[C@@H](C)OC(=O)/C(C#N)=C\c1ccc(S(C)(=O)=O)cc1	918154457	OGIQJYDJGKGLSE-JYVXZMADSA-N	323.370	1.575	50	20	DDGD	
COCCN(C)NC(=O)C[C@H](c1ccccc1)N1CCOC1=O	837623941	SWPJMRWXFBNUMN-CQSZACIVSA-N	321.377	1.179	50	20	DDGD	
COc1ncnc(OC)c1C(=O)NNc1ccc([N+](=O)[O-])cc1	747986349	QPHCOCJODCLMNS-UHFFFAOYSA-N	319.277	1.159	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H]1CCCCN1Cc1ccccc1	746166910	KQCGLSRNCZAWBK-CQSZACIVSA-N	304.394	1.391	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@H](C)C1CC1	747905610	GGRQWKHKJFIDGY-LLVKDONJSA-N	314.389	1.792	50	20	DDGD	
COc1cc(C(N)=O)ccc1NC(=O)NNC(=O)CC(C)(C)C	836772042	CDCVHBQISDZLCS-UHFFFAOYSA-N	322.365	1.383	50	20	DDGD	
N#Cc1ccc(C(=O)NN=C2C(=O)Nc3cc(O)ccc32)cc1	747052078	BZPUOJXWPRZTMN-UHFFFAOYSA-N	306.281	1.350	50	20	DDGD	
Cc1ccc2nnc(CNC(=O)[C@@]3(C)C[C@@H]3Br)n2c1	911073411	WIYKUKYJPZTYRE-ZANVPECISA-N	323.194	1.827	50	20	DDGD	
CC(=O)N1CC[C@@](C)(C(=O)NNc2oc(C(C)C)nc2C#N)C1	746840144	PVEUQAURSBDTSA-OAHLLOKOSA-N	319.365	1.371	50	20	DDGD	
O=C(Cc1ccncc1)NN=Cc1cccc2c1OCCCO2	747646756	XJXBUWWIJSWZPW-UHFFFAOYSA-N	311.341	1.936	50	20	DDGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2cnn(C)n2)cc1	840734899	KKUUEQCSQJIVAW-JYVXZMADSA-N	311.345	1.608	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccccc1CSc1nc[nH]n1	910166603	BUVLZRWHGFSIPU-JTQLQIEISA-N	321.406	1.054	50	20	DDGD	
COC/C(C)=C\C(=O)NNC(=O)NCc1ccc(Cl)cc1	845994915	NBTSJPCBVKEZTK-YFHOEESVSA-N	311.769	1.763	50	20	DDGD	
NC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)Cc1ccccc1F	841947721	HEENVGYKCZAOLW-TZMCWYRMSA-N	322.384	1.216	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(C(=O)O)[nH]2)cc1	749810289	PBZAMQKZTQGKGW-UHFFFAOYSA-N	314.301	1.110	50	20	DDGD	
Cc1ccc2c(c1)[C@@H](NC(=O)NNC(=O)Cc1ccncc1)CC2	747504329	VFYIOHCERUUASJ-INIZCTEOSA-N	324.384	1.950	50	20	DDGD	
CC(C)(CNC(=O)NNc1cccc(C#N)c1)S(C)(=O)=O	748968306	SUHGFFAMOMOCPD-UHFFFAOYSA-N	310.379	1.008	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@H]1CCc2ccccc2NC1=O	847396291	GBIIWJXMRVGHSY-LBPRGKRZSA-N	318.377	1.316	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1cccc(F)c1F	843648968	SPYZLXZUOSRXFG-KOLCDFICSA-N	312.316	1.470	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1ccc(OC(C)C)cc1	916357681	FARDULZGERTJIF-UHFFFAOYSA-N	317.389	1.936	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)N[C@@H](C)CCN)c1C	841966475	CZVSPDHSUPYCPM-WCQYABFASA-N	322.409	1.138	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)C1(C(=O)NC2CC2)CCC1	743815583	CWEYMDHYRHCJCM-UHFFFAOYSA-N	308.769	1.627	50	20	DDGD	
CN1CC[C@H](CNC(=O)[C@]2(C)C[C@H]2Br)CC1=O	911275634	PTTVZMDRMMYODU-YGOYTEALSA-N	303.200	1.145	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@H]2CS[C@H](C)C2)c1	840416062	JEPJNORZGGFUSQ-VXGBXAGGSA-N	323.418	1.598	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1ccc(OCCC(=O)O)cc1	842560011	YLYHZEPZIHJRBQ-SMDDNHRTSA-N	320.345	1.415	50	20	DDGD	
O=C(CC1C2CC3CC(C2)CC1C3)NNC(=O)c1ccnnc1	846266820	KTHXORBZNZZSEU-UHFFFAOYSA-N	314.389	1.700	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@@H](C[C@@H]1CCCO1)C(F)(F)F	845927212	MHJSMEVOCWGXCW-WDEREUQCSA-N	303.284	1.694	50	20	DDGD	
CCC[C@H](C)C(CC)=NNC(=O)N[C@H]1CCS(=O)(=O)C1	748249110	SAIVUKRLVUKXBV-QWRGUYRKSA-N	303.428	1.675	50	20	DDGD	
CC[C@H](NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)[C@H]1CC1(C)C	842189043	CGUJXGYZWWWLGR-SUNKGSAMSA-N	317.455	1.192	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCCC[C@@H]1CCCN1	842003677	JIHQXWWSXQAJTN-ZDUSSCGKSA-N	322.384	1.231	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)C(=O)NNC(=O)c1ccccc1F	749785370	IXLKSCHHBPDJFX-MRVPVSSYSA-N	305.309	1.995	50	20	DDGD	
O=C(NN=Cc1cn2cc(Cl)ccc2n1)C(=O)N1CCCC1	748136936	YBCQLSPZRBZEMP-UHFFFAOYSA-N	319.752	1.060	50	20	DDGD	
COc1ccc2cc(C=NNC(=O)C(=O)NC(C)C)ccc2c1	744817761	NQWVMMGOXUVRDN-UHFFFAOYSA-N	313.357	1.823	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1	843644242	KIRSOEFNMZOVSP-MMWGEVLESA-N	322.327	1.928	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C[C@@H](c1ccccc1)N(C)C	843971161	OXEDVXRCDGPUCJ-CFVMTHIKSA-N	319.405	1.252	50	20	DDGD	
C[C@H]1CCCc2ncc(C(=O)NNc3ccnc(N(C)C)n3)n21	846635786	VNKPIIHWPXQSRP-JTQLQIEISA-N	315.381	1.393	50	20	DDGD	
NC(=O)c1ccc(CC(=O)NNC(=O)CC2CCCC2)cc1	754205562	AUKNBBKIPFDIBP-UHFFFAOYSA-N	303.362	1.056	50	20	DDGD	
CC(CC1CCOCC1)=NNC(=O)CNC(=O)c1cccs1	757574690	KWNDNHTYODCBMA-UHFFFAOYSA-N	323.418	1.787	50	20	DDGD	
O=C(COc1ccc(Br)cc1)NN=Cc1cc[nH]n1	755510566	HTWJZGYOIQMDNQ-UHFFFAOYSA-N	323.150	1.701	50	20	DDGD	
COc1cccc([C@@H](OC)C(=O)NNC(=O)CC(C)(C)C)c1	857115851	QTDWFUAKGTTWPK-CQSZACIVSA-N	308.378	1.966	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCc1nnnn1C1CC1	752477605	KDFHQVCZBJVQCD-YRNVUSSQSA-N	312.308	1.370	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@@H]1CCn2ccnc2C1	854008075	XXSGJCQWFHQGKY-GFCCVEGCSA-N	303.341	1.972	50	20	DDGD	
CC(C)(C)N1C[C@@H](C(=O)NNc2ccnc(Cl)c2)CC1=O	855469254	YENKHYJTOBWELA-VIFPVBQESA-N	310.785	1.825	50	20	DDGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCCS(=O)(=O)CC1	750045617	UTHZUFJAPINZJQ-RZNTYIFUSA-N	321.358	1.580	50	20	DDGD	
C[C@H](C(=O)NCCCSC#N)N1C(=O)[C@H]2CCCC[C@H]2C1=O	854363380	YAMLZORUJFUACK-UTUOFQBUSA-N	323.418	1.271	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ccnc(Cl)c1)N1CCCC1=O	855469096	STCBTCVODDKWPI-CYBMUJFWSA-N	310.785	1.825	50	20	DDGD	
CCC[C@H](NC(=O)NNC(=O)c1cn[nH]c1)c1ccccn1	858191495	UVUYGQCUULTEMG-LBPRGKRZSA-N	302.338	1.290	50	20	DDGD	
Cc1ccn(CC(=O)NC[C@@]2(C)C[C@H]2Br)c(=O)c1	857392157	YZPQZENQTXZYEY-ZWNOBZJWSA-N	313.195	1.446	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(C(F)(F)F)n[nH]2)nc1	857491209	YQYKXXDQPUTENM-UHFFFAOYSA-N	301.228	1.589	50	20	DDGD	
CCc1nn(C)c(CC)c1CNC(=O)NNc1ccc(F)cn1	754878120	KVHJIURISVGTFV-UHFFFAOYSA-N	320.372	1.905	50	20	DDGD	
CC[C@H](C)CCC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855833979	LZAGOZOCAKSGOO-LBPRGKRZSA-N	313.442	1.903	50	20	DDGD	
CC(C)[C@H](CO)CNC(=O)NC[C@]1(C)C[C@@H]1Br	856959445	UMXWQOHGPZVXPC-NHCYSSNCSA-N	307.232	1.724	50	20	DDGD	
CCOC(=O)COCCNC(=O)NNc1ccc(C)c(F)c1	854105508	BZIRRTPEUFIFMA-UHFFFAOYSA-N	313.329	1.340	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CC(C)(C)OC[C@@H]2C)c1	753834323	SKYIYTHYAPKWEP-ZDUSSCGKSA-N	319.405	1.255	50	20	DDGD	
CN(C)[C@H]1CCC[C@H](NC(=O)NNc2ncc(Cl)cn2)C1	856877257	ZHRKYDSQTHZXCK-QWRGUYRKSA-N	312.805	1.629	50	20	DDGD	
C#CCCCC(=O)NNC(=O)N[C@](C)(COC)C(F)(F)F	932315462	YAAVUOQHSIGYQY-LLVKDONJSA-N	309.288	1.088	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc2oc(C3CC3)nc2c1	755690994	LVEYADFKPJOBFF-UHFFFAOYSA-N	304.306	1.504	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)CC(C)C)C(=O)OC	752215674	JLRASBFQCLZRPB-UHFFFAOYSA-N	301.387	1.342	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](NC(=O)NC[C@]2(C)C[C@H]2Br)C1	856917594	YLDJKHDXTVTLAP-SREGZZRCSA-N	319.199	1.411	50	20	DDGD	
CCn1nccc1NC(=O)NNC(=O)c1c[nH]c2ccccc12	757903164	PKOSGWWSIQJBMD-UHFFFAOYSA-N	312.333	1.851	50	20	DDGD	
Cc1nn(CC(F)F)cc1C(=O)NN=c1cc[nH]cc1Cl	935414672	LXWUNEBTOVAQCP-UHFFFAOYSA-N	315.711	1.684	50	20	DDGD	
CCC(=O)N1CC[C@@H](NC(=O)[C@@H](Br)C(C)(C)C)C1	768271074	GDACMYZOHCZKIG-MWLCHTKSSA-N	319.243	1.923	50	20	DDGD	
CC[C@]1(C(=O)NNc2ccc(OC(F)F)cc2)CCNC1=O	866875715	LLHDIZWRZNRGIQ-AWEZNQCLSA-N	313.304	1.647	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)c2cn[nH]c2)CCCC1	862469971	GQSGEEYXHNSWHC-UHFFFAOYSA-N	312.373	1.991	50	20	DDGD	
COc1ccccc1C(=O)C(=O)NNC(=O)c1ccc(C#N)cc1	760860788	LTURPPLWPYBJAL-UHFFFAOYSA-N	323.308	1.211	50	20	DDGD	
CSSCCNC(=O)[C@H]1CC(c2cn(C)nc2C)=NO1	935872411	DVRSXLJPGCXNHE-LLVKDONJSA-N	314.436	1.349	50	20	DDGD	
CC(C)(C)[C@@H](O)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	765041979	GFFHPFDGIRSCTB-ZDUSSCGKSA-N	316.361	1.040	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](Cc1ccncc1)C(=O)OCC	768259594	JGBSKTUMHSAJHS-YPDDLIOESA-N	317.345	1.116	50	20	DDGD	
C/C(=C/C1CCC(C)CC1)C(=O)NNC(=O)N1CCOCC1	865046653	MPJJNIGWSCLVEO-QBFSEMIESA-N	309.410	1.832	50	20	DDGD	
C[C@H](NNC(=O)Cc1ccccc1S(C)(=O)=O)C(F)(F)F	862319539	GUTARFRZXHJSHZ-QMMMGPOBSA-N	324.324	1.204	50	20	DDGD	
CSCCNC(=S)NNC(=O)/C=C\c1ccccc1F	769768631	FMEKNQDGDCMUJO-SREVYHEPSA-N	313.423	1.697	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNC(=O)Cc1ccncc1	764487935	UQHNEKDDMPJUMI-SNVBAGLBSA-N	315.377	1.305	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)NC(C2CC2)C2CC2)cc1	1116079713	AEMPYOQWEAZHDI-UHFFFAOYSA-N	319.430	1.993	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccccc1C(=O)NC(C)(C)C	878692883	GMZIWRBJCXWZGA-UHFFFAOYSA-N	322.365	1.950	50	20	DDGD	
COCCCOCC(=O)NNC(=O)Cc1ccc(Cl)cc1	775643333	UUCRIBYUGGQOHV-UHFFFAOYSA-N	314.769	1.083	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cccc(OC)c2F)n1	775802087	YOSXSCWCTUOBRF-UHFFFAOYSA-N	307.285	1.782	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2c(O)cccc2O)c1	776540871	CGPDBCPNANXJOK-UHFFFAOYSA-N	322.342	1.258	50	20	DDGD	
Cc1cnc(Cl)c(C(=O)NNC(=O)Cn2nc(C)cc2C)c1	877998484	VSRANKLLVSOPAY-UHFFFAOYSA-N	321.768	1.318	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ncc(C2CCOCC2)s1	879748712	NGEAWLNICICDAN-UHFFFAOYSA-N	314.367	1.772	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C[C@H]2CCCC(=O)N2)c1	873777764	ZNCUMIWADGAZRB-GFCCVEGCSA-N	320.418	1.371	50	20	DDGD	
COCCOCC(=O)NN=Cc1cnc([C@@H]2CCCO2)s1	872401362	RGFNBXIVFWLNMT-NSHDSACASA-N	313.379	1.108	50	20	DDGD	
COCC1(C(=O)NNC(=O)COc2ccc(C)c(C)c2)CC1	778525085	SZXAFYQFPZJYJW-UHFFFAOYSA-N	306.362	1.256	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2cnc(C3CC3)o2)c1	877902858	GTRRJHJYXCADDK-UHFFFAOYSA-N	314.345	1.693	50	20	DDGD	
N#CSCCCNC(=O)c1cnc(O)c(Br)c1	773593594	MIPNAQXHBJNPES-UHFFFAOYSA-N	316.180	1.884	50	20	DDGD	
Cc1nc(C(=O)NNc2ccccn2)nn1-c1ccc(F)cc1	777469493	VRQSFDCJUMDADM-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1	1121966271	WDRUCDXMIQKBTN-KRKCSGGHSA-N	321.421	1.520	50	20	DDGD	
CC(C)[C@@](C)(O)C(=O)NNC(=O)c1cccc(OC(F)F)c1	771316160	MOMFUWHCCKFJCM-CQSZACIVSA-N	316.304	1.456	50	20	DDGD	
CC[C@@H](NC(=O)C1CCC(Cl)CC1)C(=O)N1CCOCC1	1123657287	JYGMKCMSCWEBLI-WXRRBKDZSA-N	316.829	1.538	50	20	DDGD	
Cc1ccc([C@@H](C)CNC(=O)NNC(=O)c2cccnn2)cc1	883438637	XVJBDHBAFKENSV-LBPRGKRZSA-N	313.361	1.533	50	20	DDGD	
C[C@@H](COc1ccccc1)NC(=O)NNC(=O)C1CCOCC1	883162446	STNTZCZJAHUODZ-LBPRGKRZSA-N	321.377	1.211	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)C1CCOCC1)c1ccccc1	883066776	JKCVYCPDWCYZEE-GFCCVEGCSA-N	305.378	1.547	50	20	DDGD	
CN(C)C(=O)CN1CCN(C(=O)C2CCC(Cl)CC2)CC1	1123576776	UURHUPRXYZTLJC-UHFFFAOYSA-N	315.845	1.016	50	20	DDGD	
COc1ccc2c(c1)CC[C@H](C(=O)NNc1cnnn1C)C2	880121507	NMINLMDKANNGJE-LBPRGKRZSA-N	301.350	1.072	50	20	DDGD	
O=C1COc2ccc(C=NNC(=O)c3ccccc3F)cc2N1	788698867	MUFYIAMWWPSAHK-UHFFFAOYSA-N	313.288	1.921	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C12CCC(CC1)C2	783927424	GVIALMKIOABQCR-UHFFFAOYSA-N	302.374	1.965	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc3c(c2)OCC(=O)N3)n1	780768568	ASUUIINYRPXADG-UHFFFAOYSA-N	314.301	1.178	50	20	DDGD	
CC1(C)OCC(NC(=O)/C(C#N)=C/c2ccc(O)cc2)CO1	787515933	RTQPHIWYMLRRPZ-KPKJPENVSA-N	302.330	1.567	50	20	DDGD	
Cc1cccc2c(C(=O)NNC(=O)C3CCOCC3)coc12	883071643	IUVRPIXZXLTZIK-UHFFFAOYSA-N	302.330	1.929	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc2[nH]ccc2cc1C	782117005	IYHAUXFSAJLGRH-SECBINFHSA-N	316.361	1.608	50	20	DDGD	
CSc1cccc(NC(=O)C(=O)NNc2cc(C)ncn2)c1	783948941	XDZMSMJUBUNIDB-UHFFFAOYSA-N	317.374	1.589	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NC[C@H]2CCC=CO2)c1	780754127	COQXPSYGQCVZRC-CQSZACIVSA-N	319.361	1.397	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NNc1nc(-c2ccncc2)no1	896073546	XTHIJFJZFXPJDE-LLVKDONJSA-N	316.365	1.448	50	20	DDGD	
CN(CCO)CCNC(=O)CCCC[C@H]1CCSS1	899729725	NLHWZIILHJUCQB-LBPRGKRZSA-N	306.497	1.741	50	20	DDGD	
Cc1noc([C@@H]2CC(=O)N(C3CN(C[C@@H]4[C@H](C)[C@H]4Cl)C3)C2)n1	895888441	FCYLDLGJDMDWNU-NVBBAKCQSA-N	324.812	1.251	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cccc(-c2nc[nH]n2)c1	781822575	BLJJDHDTEMFHBU-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
C[C@H](C(=O)NC(C)(C)C)N(C)S(=O)(=O)CCCCCl	780855428	OFKKFQUXLBEKNQ-SNVBAGLBSA-N	312.863	1.570	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCC(=NNC(=O)c2ccc(N)cc2)C1	788407363	DDQUKTADNLVIST-ZDUSSCGKSA-N	309.391	1.342	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)/C=C\c2ccc[nH]2)c1	783507977	LCECGZHDIYJCSJ-WAYWQWQTSA-N	315.329	1.506	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1cc(O)cc([N+](=O)[O-])c1	780519728	PSMRZJDNGSTZQK-UHFFFAOYSA-N	309.669	1.501	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1nc2c(s1)CCCCC2	789731985	JMTGZHIFBKTFMM-UHFFFAOYSA-N	324.406	1.154	50	20	DDGD	
COC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)/C(C#N)=C\C1CC1	786665827	JAOOCFOBVHADMS-FFXRNRBCSA-N	322.361	1.093	50	20	DDGD	
CC[C@@H]1CCC[C@H](C=NNC(=O)[C@@H](C)NS(C)(=O)=O)C1	783845027	CLOFPLAONRVHTF-UTUOFQBUSA-N	303.428	1.243	50	20	DDGD	
CCOc1ccccc1CCNS(=O)(=O)CBr	782433823	ISXKHJMCLGSEBM-UHFFFAOYSA-N	322.224	1.900	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ncccc2O)c2ccccc2n1	799008991	HFXHOGLCAINJNJ-UHFFFAOYSA-N	322.324	1.719	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2ccccc2OC(F)F)CC1	790175941	JVQITHPYNSPVKO-UHFFFAOYSA-N	312.320	1.579	50	20	DDGD	
CN(C)C(=O)c1cccc(/C=C(\C#N)S(=O)(=O)N(C)C)c1	899372804	WSHUSHNFPCDIIX-UKTHLTGXSA-N	307.375	1.144	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2cnc(C3CCC3)s2)CC1	790174479	QETYDOFTNDVSRP-UHFFFAOYSA-N	307.423	1.702	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@H]2CC2(Cl)Cl)n1	792792755	AXNCFUJLOHCWKR-MRVPVSSYSA-N	317.176	1.528	50	20	DDGD	
O=C(CCc1cncnc1)NNC(=O)c1ccc(Cl)cc1O	794242091	VWTQBDWIUPZUGH-UHFFFAOYSA-N	320.736	1.229	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1Cl	794958418	OETGZOXIYHXBGR-BJMVGYQFSA-N	314.750	1.794	50	20	DDGD	
Cn1nnc(COC(=O)CCCC[C@H]2CCSS2)n1	799459814	MUJSRGWRHZINHQ-VIFPVBQESA-N	302.425	1.967	50	20	DDGD	
Cc1cc(C)c2c(c1)OCCC2=NNC(=O)N1CCN(C)CC1	790174855	WUYRSDRNDDWTBJ-UHFFFAOYSA-N	316.405	1.747	50	20	DDGD	
C[C@@H](CBr)COC(=O)C1(S(C)(=O)=O)CCC1	796186316	RJWVOASNRSSXKV-QMMMGPOBSA-N	313.213	1.528	50	20	DDGD	
Cn1ccc(CCC(=O)NNC(=O)c2ccc(Cl)cc2)n1	794199115	MQFNACONCARFQD-UHFFFAOYSA-N	306.753	1.467	50	20	DDGD	
O=C(CCO)NN=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	1318992578	MLKANAINPUQLGH-UHFFFAOYSA-N	320.349	1.418	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@@H]1CCN(CC(F)(F)F)C1	37843523	YJADKBMCBFWSCH-VIFPVBQESA-N	322.780	1.419	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H]1CCCCN1Cc1cccnc1	1318903627	QTBYXUBKCGVRNX-AWEZNQCLSA-N	319.409	1.177	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC[C@H](C)CNC)c1ccccc1	1325679646	GYKJWXNIAKPZGA-TZMCWYRMSA-N	306.410	1.366	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1	1324471067	FVXYVXYFLNHQNQ-SDDRHHMPSA-N	311.426	1.511	50	20	DDGD	
CC(=NNC(=O)CCO)c1cnn(-c2ccc(C#N)cc2)c1C	1322319278	GQWJKCMMTCTXHL-UHFFFAOYSA-N	311.345	1.275	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCc1c[nH]c2c(C)cccc12	1336444569	QXPZPGVTZRDIQT-UHFFFAOYSA-N	304.350	1.931	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2CNCCC2(F)F)C[C@@H]1Br	1331343459	IADOXDASWIEVME-KHQFGBGNSA-N	311.170	1.521	50	20	DDGD	
C[C@H]1CCCN(C(=O)CCNC(=O)NNc2ccccn2)C1	1341867274	CZZGQLPNWAKKTM-LBPRGKRZSA-N	305.382	1.356	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)NCCC(F)F)cc1	1347386942	ZXDWALFRBAGHFP-UHFFFAOYSA-N	317.292	1.060	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccc(C(=O)O)nc2)C[C@H]1Br	1347939364	IWAARONNQGBEHQ-SKDRFNHKSA-N	313.151	1.683	50	20	DDGD	
NC[C@H]1CC[C@H](NC(=O)NNC(=O)c2ccccc2Cl)C1	1345152741	DHKSFUJEOZHKHL-UWVGGRQHSA-N	310.785	1.411	50	20	DDGD	
Cn1ccc(NNC(=O)CCN(C(=O)OC(C)(C)C)C2CC2)n1	1346490965	FPUNVCISYWCBTK-UHFFFAOYSA-N	323.397	1.653	50	20	DDGD	
N#Cc1ccnc(C(=O)NNc2cccc(F)c2C(=O)O)c1	1601127731	WMFLAFZREKUZAP-UHFFFAOYSA-N	300.249	1.547	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1	1609253009	JOOACNZIWTYDAW-UHFFFAOYSA-N	311.349	1.823	50	20	DDGD	
O=C(CO[C@H]1CCOC1)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1601336878	FNIONERXZHKRDW-VIFPVBQESA-N	311.246	1.004	50	20	DDGD	
N#Cc1ccc(NNC(=O)CC[C@@H]2C[C@H](C(=O)O)CO2)cc1	1601107892	PNUMOBIVHUXMHZ-WCQYABFASA-N	303.318	1.271	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1c[nH]nc1C1CC1	1609559112	HAFFQBIQSITIQW-UHFFFAOYSA-N	310.321	1.224	50	20	DDGD	
O=C(CCc1ccc(O)nc1)NNc1ccc(F)c(C(=O)O)c1	1601286927	AQBNHISUYCRYFM-UHFFFAOYSA-N	319.292	1.700	50	20	DDGD	
O=C(/C=C\C1CCOCC1)NNc1ccc(C(=O)O)c(F)c1	1601232588	NNPSSNAHFQXDRX-RJRFIUFISA-N	308.309	1.950	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cc(-c2nn[nH]n2)ccc1Cl	1606497268	KDWSTOBRWMHKAL-UHFFFAOYSA-N	320.740	1.081	50	20	DDGD	
Cc1c(NNC(=O)c2cc(Cl)n(C)n2)cccc1C(=O)O	1600054373	WHGKVJPBIPMEPI-UHFFFAOYSA-N	308.725	1.837	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCc1ccc(C(=O)O)nc1	1603613036	SAQIOVAOGYABCL-UHFFFAOYSA-N	320.798	1.464	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2C[C@@H](C)[C@H](C(=O)O)C2)c1	1600648046	NAEAHUQTOQNDOJ-RKDXNWHRSA-N	311.363	1.063	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1cc(C)ccc1F	1549320181	KVYCQCNGLSRGHI-CZUORRHYSA-N	319.380	1.838	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCCO1)[C@@H](F)Cl	1801918750	PIURYBAFYJNTMI-KZZRWZIVSA-N	318.776	1.338	50	20	DDGD	
CN(N)C(=O)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl	1573882198	ABWRNQROJRUCMN-UHFFFAOYSA-N	319.674	1.885	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)N[C@H]2C[C@H](N)C2)c(Cl)c1	1579720487	YGGFUDABQZECDC-KYZUINATSA-N	311.773	1.474	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1occc1N	1576295644	REUHOIXTFIYBRE-MRVPVSSYSA-N	307.281	1.229	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc2cc[nH]c2c1)C(=O)NN	1575208845	ULMVZABXALWMSX-ZDUSSCGKSA-N	318.377	1.594	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C[C@@H](N)C(C)(C)C)c1	1579772557	CAXGOIRTKVEENL-CYBMUJFWSA-N	307.394	1.285	50	20	DDGD	
C[C@@](CNC(=O)NNc1ncccn1)(C(=O)O)c1ccccc1	1589056263	LNDHPTHDUVVWGK-HNNXBMFYSA-N	315.333	1.145	50	20	DDGD	
CC(C)(C)NCCC(=O)NNc1cccc(-c2nn[nH]n2)c1	1589141435	OPOHXCNSSBECTR-UHFFFAOYSA-N	303.370	1.088	50	20	DDGD	
O=C(Oc1ccc([N+](=O)[O-])c2ncccc12)[C@@H](F)[C@H]1CCNC1	1580805856	YTSFZFAPDDNWOR-ZANVPECISA-N	319.292	1.996	50	20	DDGD	
C=CCn1cc(C(=O)NNc2cccc(F)c2C(=O)O)nn1	1588910329	QWVUEGXEBKVOFG-UHFFFAOYSA-N	305.269	1.058	50	20	DDGD	
NC[C@H](O)CC(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	1580231619	AMGMLMGZXBINPR-SSDOTTSWSA-N	311.691	1.512	50	20	DDGD	
CN(C)C1(CNC(=O)NNc2cccc(C(=O)O)c2F)CCC1	1598182481	GDBUAUCAMGNTRL-UHFFFAOYSA-N	324.356	1.634	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1F)c1ccc(-c2nn[nH]n2)[nH]1	1593160512	XJEMJVSPHJWEKH-UHFFFAOYSA-N	321.703	1.744	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(F)c(C(=O)O)c1)c1ccnn1C	1593101313	CDFZFLLDJMBETB-MRVPVSSYSA-N	321.312	1.645	50	20	DDGD	
C[C@H]1C[C@H](C(=O)O)CCC1=NNC(=O)c1cn2c(n1)CCCC2	1776105536	OSCIOOSFUKNZBZ-WDEREUQCSA-N	318.377	1.826	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2sccc2C(=O)O)ccn1	1776043954	RZVOLIAIASINSJ-UHFFFAOYSA-N	318.358	1.671	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2ccccc2F)cc1	5823568	QUGQGYMMGUKTKP-UHFFFAOYSA-N	302.305	1.974	50	20	DDGD	
O=C(NNC(=S)Nc1ccccc1)c1n[nH]c2c1CCCC2	11093244	LWXBOYQOVNIZDK-UHFFFAOYSA-N	315.402	1.920	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@@H]2CCN(CC(C)C)C2)n1	150738003	FZBIORQEDLXLKO-AWEZNQCLSA-N	320.441	1.697	50	20	DDGD	
CCCn1nc(C)c(C(=O)NNC(=O)c2ccc(C)o2)c1C	150925169	IDBQOYJRMHOKTL-UHFFFAOYSA-N	304.350	1.886	50	20	DDGD	
C#CCOc1ccc(C(=O)NNC(=O)c2ccc(C#N)cc2)cc1	162306269	AQONDYPFOURJJU-UHFFFAOYSA-N	319.320	1.645	50	20	DDGD	
CCO[C@@H](C)C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1	151268698	JJLSQHNVJGMODG-VIFPVBQESA-N	320.324	1.402	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)C1(c2ccccc2)CC1	156110303	YMKFNPDUIZPYAO-UHFFFAOYSA-N	317.389	1.170	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@@H]1CCOC2(CCCC2)C1	157172985	SIQWFMCNRSPSNT-LLVKDONJSA-N	306.366	1.451	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccnc(-n3cccn3)c2)cc1	155381593	SJWDPWSKSDSRAG-UHFFFAOYSA-N	304.313	1.896	50	20	DDGD	
O=C(Cn1ccccc1=O)NNc1cccc(C(F)(F)F)n1	155857212	BUFAELCBJYBGPA-UHFFFAOYSA-N	312.251	1.405	50	20	DDGD	
CCNC(=O)CN(CC)S(=O)(=O)c1ccc(CCl)cc1	312772300	CLKUJVKCXHBRBX-UHFFFAOYSA-N	318.826	1.572	50	20	DDGD	
Cc1nc(CC(=O)N/N=C2/C(=O)Nc3cc(F)ccc32)cs1	7712333	KIQVULWYUYMVEK-UHFFFAOYSA-N	318.333	1.606	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O	10159071	SXCNJFOWSYBZIX-UHFFFAOYSA-N	316.361	1.775	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cccc2cc(C)cnc12	55617335	HDSKMRLIYBHLGJ-NSHDSACASA-N	321.402	1.899	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)cc1)NNc1nccnc1Cl	172288019	IPSPCWDULAFXNC-UHFFFAOYSA-N	323.715	1.142	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H]2C[C@@H]2C2CC2)c1	177610035	KULDXEKIMVPICK-HUUCEWRRSA-N	302.374	1.876	50	20	DDGD	
COc1ccc(C(=O)NNc2cc(C)ncn2)cc1[N+](=O)[O-]	172282900	JOJRPXQKOVKJBJ-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
CC(C)C[C@H](C)CC(=O)NNC(=O)CNC(=O)c1ccco1	171420995	FUBWYKCYXKFVTN-NSHDSACASA-N	309.366	1.229	50	20	DDGD	
O=C(CCCNC(=O)NC1CCCCC1)NNc1cccnn1	172368673	JKADVKCZTSOCPE-UHFFFAOYSA-N	320.397	1.332	50	20	DDGD	
CC(C)CCn1cc(C(=O)NNC(=O)NC2CCCCC2)nn1	172592993	DCWXFDHMGHJOJT-UHFFFAOYSA-N	322.413	1.601	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCCc2cn[nH]c2C)n1	173222188	ZTEGVDVBKAERBA-UHFFFAOYSA-N	319.369	1.084	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCCOc1ccccc1F	109859244	KABMLUNJKOSGER-UHFFFAOYSA-N	320.324	1.477	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N1CC[C@@H](C)[C@H]1C	176993481	WOZTUXQCKIYXDV-ZYHUDNBSSA-N	315.377	1.727	50	20	DDGD	
Cc1ccc(NNC(=O)NCCC(=O)NC2CCCCC2)nn1	106265274	DALNENUCSDOQLM-UHFFFAOYSA-N	320.397	1.250	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccccc1O)N1CCCCCC1	118760778	DBOIHUDCYBSSKH-GFCCVEGCSA-N	305.378	1.418	50	20	DDGD	
C[C@H]1CCCC[C@H]1OCC(=O)NNC(=O)Cc1cccnc1	112815252	DYYGUDFEXBTTDL-GXTWGEPZSA-N	305.378	1.367	50	20	DDGD	
O=C(CC[C@@H]1CCOC1)NNC(=O)c1cccc([N+](=O)[O-])c1	176403994	UXQILVWIDKRKHJ-SNVBAGLBSA-N	307.306	1.173	50	20	DDGD	
C[C@@H]1CCCN1C(=O)NNC(=O)c1cc(Br)c[nH]1	174594715	YRBRDSGZJNVQRV-SSDOTTSWSA-N	315.171	1.616	50	20	DDGD	
CCCCNC(=O)NNC(=O)/C=C/c1ccc2c(c1)OCO2	64426536	JXGWMMVXKCDOKT-FNORWQNLSA-N	305.334	1.559	50	20	DDGD	
Cc1cc(OCC(=O)NNC(=O)NC2CC2)ccc1C(C)C	64428547	ANTNUPDASIEDIG-UHFFFAOYSA-N	305.378	1.990	50	20	DDGD	
COc1cc(C(=O)NNC(=O)NC2CC2)ccc1OC(F)F	64428856	DAZQGJHKVNYDCJ-UHFFFAOYSA-N	315.276	1.403	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCNc1ccccc1[N+](=O)[O-]	178949640	TYGXVNMEHSNNCB-ZHACJKMWSA-N	304.306	1.567	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O	171511997	GKAJLELGIYVWGB-PBWFPOADSA-N	315.373	1.167	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccc(-n2ccnc2)cc1	171510921	VMESNUXGVGLUMZ-UHFFFAOYSA-N	321.340	1.271	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)Cc1ccc(Cl)c(F)c1	127766333	QINRNWQHUAFKKL-SECBINFHSA-N	315.776	1.857	50	20	DDGD	
O=C(CCOCC(F)F)NNc1ncnc2ccsc12	189511706	CYOBPFZBKIULEB-UHFFFAOYSA-N	302.306	1.806	50	20	DDGD	
O=C(Cc1ccccc1)NCCC(=O)NNc1ccnc(F)c1	182516775	LXWPFEFEEMFGRL-UHFFFAOYSA-N	316.336	1.413	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2cc(C(F)(F)F)ccc2F)N1	128867680	CFYDUCKLWFXKQF-QMMMGPOBSA-N	305.231	1.566	50	20	DDGD	
O=S(=O)(CBr)N1CCN(C2CCCC2)CC1	127425794	YQZSKLIGPZJZJA-UHFFFAOYSA-N	311.245	1.229	50	20	DDGD	
COc1nccnc1NNC(=O)c1cn(C(C)(C)C)nc1C	184364498	QQDBFIXIDPQPOF-UHFFFAOYSA-N	304.354	1.502	50	20	DDGD	
COCCN(C)CCNC(=O)NNc1c(F)cccc1Cl	185327934	ZLKWVBANZUSSSZ-UHFFFAOYSA-N	318.780	1.683	50	20	DDGD	
CN(C)C(=O)c1ccc(NC(=O)NNc2ncccn2)cc1	185875807	LEWKJVWQGLFSPR-UHFFFAOYSA-N	300.322	1.327	50	20	DDGD	
Cn1nccc1NC(=O)NNC(=O)CCCc1ccccc1	124810141	GMTRGZWQUXAJGV-UHFFFAOYSA-N	301.350	1.596	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1ccc(C#N)c(Cl)c1	77708787	SFVFFCLPUHBRGX-UHFFFAOYSA-N	315.782	1.567	50	20	DDGD	
COC[C@@H](NC(=O)NNc1nc2ccccn2n1)c1ccco1	189420063	BQHXBYPUMUGQSS-SNVBAGLBSA-N	316.321	1.336	50	20	DDGD	
Cc1cnc([C@H](C)NC(=O)NNc2nc3ccccn3n2)s1	189478438	FVSYEJTWSXEGBC-VIFPVBQESA-N	317.378	1.882	50	20	DDGD	
Cc1[nH]nc2ncc(C(=O)NNC(=O)NCc3ccco3)cc12	138890922	ZJBLVRGGDCUJKN-UHFFFAOYSA-N	314.305	1.004	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)CS(=O)(=O)C(C)(C)C	184318500	AMJAHUABNYPZBJ-UHFFFAOYSA-N	302.371	1.791	50	20	DDGD	
COCCCOc1ccc(C(=O)NNc2ccncc2)cn1	180476936	OOCKULWPZLVMNU-UHFFFAOYSA-N	302.334	1.649	50	20	DDGD	
COC(=O)NCCC(=O)NNc1nc2ccccc2cc1C	181311968	HKWAIHACRIYXII-UHFFFAOYSA-N	302.334	1.732	50	20	DDGD	
C[C@H]1C[C@H](C)CN(C(C)(C)CNC(=O)NNc2cccnn2)C1	77349320	FHBFUQOOVJSBTQ-STQMWFEESA-N	320.441	1.859	50	20	DDGD	
CC(C)CC(=O)NCCC(=O)NNc1ccc([N+](=O)[O-])cc1	134152516	PZZSKYXWWMSVPU-UHFFFAOYSA-N	308.338	1.590	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN[C@@H]1CCCC1(C)C	191862324	AUFJNXNEYANCKM-OAHLLOKOSA-N	317.433	1.853	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)Nc1nccs1	42757372	LUQINOJMHLDROF-UHFFFAOYSA-N	316.346	1.566	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(-n2cccn2)ccn1	134686392	BGDMKZHZLSEESS-UHFFFAOYSA-N	302.338	1.011	50	20	DDGD	
CCNC(=O)c1ccc(CNC(=O)NNc2ncccn2)cc1	45842469	VLEALPBVPDNZME-UHFFFAOYSA-N	314.349	1.053	50	20	DDGD	
C=C[C@@](C)(CC)C(=O)NNc1nc2ccccc2c(=O)n1C	135045521	NMTFICXFDMLINV-INIZCTEOSA-N	300.362	1.979	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(CC(F)F)C(C)C)cc1	135406119	GFUNXIWBSHQVDO-UHFFFAOYSA-N	313.348	1.732	50	20	DDGD	
CN(C)C(=O)NNS(=O)(=O)c1ccccc1C(F)(F)F	194857013	APXXYFFGEKROGS-UHFFFAOYSA-N	311.285	1.170	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)C[C@H]2CCCOC2)c1	195043752	SYAGXSPYPLRVQY-GFCCVEGCSA-N	305.378	1.330	50	20	DDGD	
Cc1nnc(NC(=O)NNC(=O)c2cccc(N(C)C)c2)s1	194264620	PINKNYAIGZWOSY-UHFFFAOYSA-N	320.378	1.379	50	20	DDGD	
C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)C[C@@H](C)O1	247598574	SZTZFDJGPOKQLD-NIFZNCRKSA-N	323.437	1.069	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)COc2ccccc2OC)CC1	268058580	SHINMNAPMMVKBD-UHFFFAOYSA-N	321.377	1.595	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCCn2cccc2)c1	267734183	DPZDLALKNQDGCY-UHFFFAOYSA-N	315.377	1.198	50	20	DDGD	
O=C(NCCCOC1CCOCC1)NNC(=O)c1ccccc1	266541674	ROJVMIDFSSMWIR-UHFFFAOYSA-N	321.377	1.216	50	20	DDGD	
O=C(NCCOc1cccc(Cl)c1)NNC(=O)C1CCC1	264739614	OOJWKYJNRUDRFI-UHFFFAOYSA-N	311.769	1.849	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1cccc([N+](=O)[O-])c1C	269624465	ULOCRSCCVMKWCH-UHFFFAOYSA-N	324.337	1.825	50	20	DDGD	
CCCC[C@H](COC)NC(=O)NNC(=O)c1ccccc1O	265586674	SJWQIKAQWQIBNI-LLVKDONJSA-N	309.366	1.541	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1nc2ccccc2n1C)C(C)(C)C	265270680	MWUHORSVWSCYOW-LLVKDONJSA-N	316.405	1.945	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ccc(O[C@H]2CCOC2)cc1	272779491	DOBOOMVCZRDXQE-AWEZNQCLSA-N	319.361	1.807	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(C(=O)OC)cc1OC	276091252	WDTSIBPOYGVGTH-UHFFFAOYSA-N	324.337	1.180	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1c(C)nc(C(C)(C)C)nc1O	272911214	CZRUMGFAISGXCF-UHFFFAOYSA-N	309.370	1.094	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1cccc(Cl)c1OCC	276928501	ZWZKGRYTNUMLJC-UHFFFAOYSA-N	313.785	1.974	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](C)Oc1ccc(SC)cc1	271248072	DBEZKMQMGYZKGM-SNVBAGLBSA-N	311.407	1.868	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H](CC)SC)nc1C	272213733	RYRWOBDSISDKCN-SNVBAGLBSA-N	312.395	1.546	50	20	DDGD	
O=C1CCC[C@H](C(=O)NNc2ccc(Br)cc2)N1	270448474	DVICIJPNMYLEGM-SNVBAGLBSA-N	312.167	1.561	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2CCOC(C)(C)C2)n1	270001896	OWUOHNZMVWNKOF-SNVBAGLBSA-N	309.370	1.377	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@H]1CCO[C@@H]1c1cccnc1	287172901	ZNJNRKPPGGQAKM-UONOGXRCSA-N	313.361	1.941	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@H](C(=O)NNc2cccc(F)n2)C1	286119908	AFQCHGPDPGKBDH-NSHDSACASA-N	322.384	1.949	50	20	DDGD	
COC(=O)N(C)NC(=O)CCCc1nc(O)c2ccccc2n1	286539059	YOUCVXAWXFZTIP-UHFFFAOYSA-N	318.333	1.388	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNc1nc(-c2ccccc2)no1	289769441	QTLZZKCFDNGABI-JTQLQIEISA-N	318.333	1.769	50	20	DDGD	
CCOC(=O)NCC(=O)NNC(=O)Nc1cccc(Cl)c1	283770989	PFBVDKOKGRNMDF-UHFFFAOYSA-N	314.729	1.239	50	20	DDGD	
O=C(C[C@@H]1CCCC(=O)N1)NNc1cc(F)c(F)cc1F	289682995	ZSXQUBGSPWFWBP-ZETCQYMHSA-N	301.268	1.606	50	20	DDGD	
Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)NNC(=O)CC(C)(C)C	286972729	OUWBSIACEBIVAF-JQWIXIFHSA-N	323.397	1.017	50	20	DDGD	
COCCN(C)NC(=O)C1(c2cccc(F)c2)CCOCC1	288511001	VDVBWZPNWJBQGJ-UHFFFAOYSA-N	310.369	1.483	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCC2([S@@](C)=O)CC2)cc1	282412263	XVHUDFOPGBICFE-JOCHJYFZSA-N	323.418	1.104	50	20	DDGD	
COc1ccccc1CCNC(=O)NNC(=O)[C@H]1CCCCO1	296168275	LAZZZLGFRXYUPL-CQSZACIVSA-N	321.377	1.137	50	20	DDGD	
O=c1[nH]c2cc(OS(=O)(=O)CCCCCl)ccc2o1	295478553	ZNSDNZLWSRHXJK-UHFFFAOYSA-N	305.739	1.849	50	20	DDGD	
CC/C=C/CNC(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C	298339317	GIILENNZBPMUJV-QROSGCPLSA-N	314.386	1.196	50	20	DDGD	
COC(=O)[C@@]1(NCCO[Si](C)(C)C(C)(C)C)CCOC1	808741626	KEIDABYCCFHXKY-CQSZACIVSA-N	303.475	1.930	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cc2ccccc2c(=O)o1	806536600	GOAPMCFSIMONII-UHFFFAOYSA-N	314.219	1.506	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)[C@H]2CC2(C)C)cc1	291101853	DSYUHMYRPDSIOH-GFCCVEGCSA-N	311.407	1.426	50	20	DDGD	
O=C(NNc1nnc[nH]1)c1cccc(OC[C@@H]2CCCO2)c1	293978591	RDBYWAWCBKBGAG-LBPRGKRZSA-N	303.322	1.119	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cnn(CCF)c2)c1	807212278	WLVKHNFCMCYRGX-UHFFFAOYSA-N	306.297	1.396	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNc2cc(Cl)nc(N)n2)c1C	293385825	FKZUFNITIVXMSO-UHFFFAOYSA-N	323.788	1.231	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2nc3ccccn3n2)cn1C1CC1	807390139	USCNVXBMBBBRKF-UHFFFAOYSA-N	324.344	1.291	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)COc1cc(C)ccc1C)C(C)C	297867683	GBTSHUJUCPNXBV-CQSZACIVSA-N	317.389	1.670	50	20	DDGD	
C[C@@H]1CCCN(c2cc(C(=O)NNc3cnccn3)ccn2)C1	290912949	AGZUNSNJYMHGDB-GFCCVEGCSA-N	312.377	1.865	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc(C(F)(F)F)nc1	295654917	VJKYXBMWJUCFSO-VIFPVBQESA-N	317.267	1.431	50	20	DDGD	
Cc1noc(Cl)c1CCC(=O)NNC(=O)[C@@H]1CCCCO1	295394881	LUGBFPYMHQDHJR-JTQLQIEISA-N	315.757	1.286	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNc2ccncn2)cc1OC	295519128	QEGSDYXPBQXGBY-NSHDSACASA-N	316.361	1.816	50	20	DDGD	
CN(NC(=O)c1cc(Br)cc(N(C)C)c1)C(N)=O	294372813	CETGIFPBEZQRFZ-UHFFFAOYSA-N	315.171	1.170	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Nc1ccc2c(c1)OCO2)n1cccn1	802100128	UZKVDFMJWAIABV-SECBINFHSA-N	317.305	1.026	50	20	DDGD	
COC(=O)N(C)CC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	299110834	FGTBHZOKXOSPLQ-UHFFFAOYSA-N	316.701	1.390	50	20	DDGD	
Cc1oc2ncn(C)c(=O)c2c1C(=O)N(C)CC(Cl)Cl	816629654	VWWYTBGWGVVIKP-UHFFFAOYSA-N	318.160	1.711	50	20	DDGD	
O=C(NN=C1CC[C@H]1C1CCC1)c1ccc(-n2cnnn2)cc1	814755479	AYHRNNWPJVNXKO-AWEZNQCLSA-N	310.361	1.958	50	20	DDGD	
C[C@H]1CC(=NNC(=O)C(=O)Nc2ccccn2)CC[C@@H]1C(=O)O	814869449	JTWRCGWFWDQGQZ-ONGXEEELSA-N	318.333	1.013	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)c1cccc2cccnc12)OC	811870504	IUMLCVUCTJJBHA-LBPRGKRZSA-N	316.361	1.604	50	20	DDGD	
CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CCOCC1	819773109	OEMKQTTXXIJPEN-UHFFFAOYSA-N	314.349	1.399	50	20	DDGD	
CS(=O)(=O)c1ccc(NNC(=O)c2ccc(C#N)o2)cc1	815852478	WQSIZWQIHMFWNF-UHFFFAOYSA-N	305.315	1.312	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)CC(F)(F)F)C(=O)O	818626553	BFCCBHXIWBELIU-UHFFFAOYSA-N	313.276	1.160	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@@](C)(O)C2CCC2)c1	813372519	LFMKYCRMLHQSQJ-INIZCTEOSA-N	305.378	1.065	50	20	DDGD	
CCCN(CC)C[C@H](C)NC(=O)NNC(=O)Cc1cccnc1	811874805	PQIHNOUJKCCMFS-ZDUSSCGKSA-N	321.425	1.075	50	20	DDGD	
COC(=O)CC1(CC(=O)NNc2ncncc2F)CCCC1	817082451	WCSLQYHLBTYXIV-UHFFFAOYSA-N	310.329	1.572	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2cnn(C)c2Cl)c1	814716812	SCKHKCCHDRYBBN-UHFFFAOYSA-N	306.753	1.911	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H](C)N2C(=O)CCC2=O)cc1	817915418	LZVGPFFSTAOMRW-SNVBAGLBSA-N	305.334	1.066	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2nc3c(s2)CCC3)n1	814752259	DUIJNEKJGLVJBS-UHFFFAOYSA-N	303.391	1.595	50	20	DDGD	
CN(NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1)C1CC1	819646378	VOOOWMRYHUWOLF-HNNXBMFYSA-N	301.390	1.346	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=Cc1cccnc1Cl	814827612	RGENDBXAELVZJS-UHFFFAOYSA-N	322.777	1.677	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC[C@@H](N2CCOCC2)CC1	819658057	HQFUZRUUHCLBBU-SZGUKTLCSA-N	307.394	1.144	50	20	DDGD	
CCN(CC)c1ncc(C=NNC(=O)N=c2cc[nH]cc2)s1	815004003	SSIROOAWFDEBRU-UHFFFAOYSA-N	318.406	1.962	50	20	DDGD	
CC[C@@]1(CNC(=O)NNC(=O)C(C)C)OCCc2ccccc21	811926028	KADTVQRYZHAZGV-KRWDZBQOSA-N	319.405	1.851	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cccn2cc(C(F)(F)F)nc12	823912793	LMVHJYBMIKDNRY-MRVPVSSYSA-N	316.283	1.311	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)N[C@H]1CO[C@H](C)C1	828421245	OPRQPRVQDLGKRE-DGCLKSJQSA-N	321.377	1.136	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)C1	490978752	WRLFFRFIPATQBS-GQDSSGMPSA-N	312.373	1.796	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](Cc1nc[nH]n1)c1ccccc1	491043584	AAJNLTISCQFEJC-JWAFFJSPSA-N	311.345	1.649	50	20	DDGD	
CS/C=C/C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	826226753	FUHKYGUDRQLBCG-NSCUHMNNSA-N	311.758	1.235	50	20	DDGD	
Cc1sc(NC(=O)NNC(=O)c2cc[nH]n2)nc1C(C)C	824267456	DQXQNQGZQDYQNU-UHFFFAOYSA-N	308.367	1.765	50	20	DDGD	
Cc1cc(CC(=O)NNC(=S)N[C@H](C)c2cccs2)n[nH]1	726449985	MQSKYPNRIVPZBP-SECBINFHSA-N	323.447	1.579	50	20	DDGD	
C[C@@H](Oc1ccccc1)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	824745054	LEOQMEUEOZXNKP-LLVKDONJSA-N	324.344	1.777	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H](C1CC1)C(F)(F)F	826809144	JSQJQSWYHVUEQM-ZQARSLAVSA-N	309.288	1.083	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cc(Cl)ccc1Cl	495406885	HFNQCIMYTLVQKZ-UHFFFAOYSA-N	320.132	1.709	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)/C=C\[C@H]1CCOC1	822732494	ZAQOIJJHCPDJOY-OMMCCPJFSA-N	308.309	1.648	50	20	DDGD	
O=C(NN=Cc1nccn1CC(F)(F)F)c1ccc(O)cc1	727683744	LTVCYWBYAOWGDN-UHFFFAOYSA-N	312.251	1.915	50	20	DDGD	
Cc1ccccc1OCCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	825747877	BCEAIXYAGCXJLJ-CHWSQXEVSA-N	321.377	1.129	50	20	DDGD	
C[C@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)[C@H](O)Cc1ccccc1	491088255	YZROJDQQRDOVFW-HZKNVOEGSA-N	324.384	1.435	50	20	DDGD	
CCc1c(C(=O)Nc2cccc(B(O)O)c2)cnn1C(C)(C)C	584911361	UXHAFIVZCCFOJC-UHFFFAOYSA-N	315.182	1.133	50	20	DDGD	
CCO/C=C/C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	492836396	JSQKALMJOCXCRM-WTNCMQEWSA-N	306.362	1.768	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@H](Cc1ccc(F)cc1)C(=O)OC	905013014	OUDKNOHMRJQONP-GAJOTYCWSA-N	320.320	1.470	50	20	DDGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCC(=O)O)c1C	739808956	VNNTUWBPNWZSGF-RZBIUYHXSA-N	319.361	1.420	50	20	DDGD	
Cc1cccc(OCCN(C)CC(=O)NNC(=O)C(C)C)c1	827336108	AFTXANMFVWDPFN-UHFFFAOYSA-N	307.394	1.109	50	20	DDGD	
C=CCNC(=S)NNC(=O)C[C@H]1CSc2ccccc2O1	823625096	QEJVHJXPCAWCMR-JTQLQIEISA-N	323.443	1.611	50	20	DDGD	
COC(=O)[C@H]1CCCN1C(=O)/C(C#N)=C/c1ccc(O)cc1	588603948	SDYNLBDHRQKNEH-BRADTZPFSA-N	300.314	1.463	50	20	DDGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2cnnn2C)cc1	490702733	ZWRUDHUENYDTFU-ZWSXMNCCSA-N	311.345	1.608	50	20	DDGD	
C[C@H](CS(C)(=O)=O)N(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	490910059	PSQLDQIIFOAZQS-JYVXZMADSA-N	322.386	1.191	50	20	DDGD	
CCc1ccccc1-n1cc(C(=O)NN(C)C(=O)OC)nn1	495981252	LLZVUQPMGWTTRI-UHFFFAOYSA-N	303.322	1.173	50	20	DDGD	
CC(C)n1nc(C(=O)NN=C2CCOC2)c2ccccc2c1=O	731923708	BTHYHZDMTLIBNX-UHFFFAOYSA-N	314.345	1.484	50	20	DDGD	
COc1ccc2[nH]cc(C=NNC(=O)CN3CCCC3=O)c2c1	730144660	DYBIPBBTSDEBDN-UHFFFAOYSA-N	314.345	1.249	50	20	DDGD	
CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NNC(=O)C1CCC1	732141779	VWUXGGQOQBTIMQ-LBPRGKRZSA-N	309.410	1.361	50	20	DDGD	
O=C(Cc1cccc2cccnc12)NNC(=O)c1ccncc1	832629796	YUGILJFCVACXKL-UHFFFAOYSA-N	306.325	1.634	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNC(=O)CCc2ccccc2)C1	838749538	WIZGWWJDAKAAEG-OKILXGFUSA-N	305.378	1.517	50	20	DDGD	
CN1C[C@H]2CC[C@H]1[C@H](CNC(=O)/C(C#N)=C\c1cnn(C)c1)C2	909745679	UOJGLCWUNRLUKZ-HGMSZPLOSA-N	313.405	1.174	50	20	DDGD	
COC[C@H](OC)C(=O)NNc1ccc(Br)cc1C	830813335	HJCRWWKKWCMEAE-NSHDSACASA-N	317.183	1.862	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1ccc(CC(=O)O)cc1	735413600	OGCACUOWWUQNFB-UHFFFAOYSA-N	300.318	1.201	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(OCc2ccncc2)cc1	837623126	YBONTGILKPAIBV-UHFFFAOYSA-N	315.373	1.884	50	20	DDGD	
CC[C@@H]1CCCN1CC(=O)NNC(=O)c1ccc(C#N)cc1	839480294	QNCGDACVRFSDCX-CQSZACIVSA-N	300.362	1.194	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCC[C@H](C(=O)O)C2)c(O)c1	832912129	VEKQEDRPFVMQHN-QWRGUYRKSA-N	320.345	1.353	50	20	DDGD	
COc1ccc2c(c1)C[C@H](C)CC2=NNC(=O)[C@@H]1CCC(=O)N1	905489474	WCWPUDRGZFHFGS-HZMBPMFUSA-N	315.373	1.376	50	20	DDGD	
OB(O)c1ccc(CNC[C@H](c2ccccc2)N2CCCC2)cc1	585014562	VUHPXFVWXCXTTC-LJQANCHMSA-N	324.233	1.293	50	20	DDGD	
CCN1C[C@H](NC(=O)[C@@H](Br)C(C)(C)C)CC1=O	836849532	JFOZKICPVHPWAK-PSASIEDQSA-N	305.216	1.533	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@H]1C	834937203	JPKILMJXMUMNNM-RAIGVLPGSA-N	300.424	1.740	50	20	DDGD	
C#Cc1ccc(C(=O)NNc2ccc(C(=O)O)cc2OC)cn1	833368299	KCRRPHMPYVBQEL-UHFFFAOYSA-N	311.297	1.527	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCC[C@@H]2Oc2ccccc2)cc1	585023432	LBDVRJFIGMUSFW-MSOLQXFVSA-N	311.190	1.456	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1)c1cccnc1	916370295	BHDBTSNVTFZYJS-MCIONIFRSA-N	318.421	1.667	50	20	DDGD	
O=C(/C=C\c1ccc2c(c1)OCO2)NNC(=O)CC(F)(F)F	918704272	XOITUWBKRGXJPZ-RQOWECAXSA-N	316.235	1.528	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1	910162602	IFINGXSFKYNEMX-CXAGYDPISA-N	319.405	1.025	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)c1ccc(Cl)cc1O	839555606	PHEDRAUATFYYIN-WHGOUJPWSA-N	322.748	1.422	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1cc(F)c(F)c(F)c1)C(C)C	746703054	HKHFWKDFYOJUAA-LBPRGKRZSA-N	303.284	1.708	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2ccnn2CC(C)C)cs1	842523541	OGMPMGCNSMRONN-UHFFFAOYSA-N	305.407	1.997	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cc(F)cc2nccnc12	918367092	LZYZZNIAJOJIRZ-UHFFFAOYSA-N	316.214	1.482	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C(C)(C)CNC(C)=O)c1ccccc1	844387434	RSFQKZWZBPODCY-CQSZACIVSA-N	319.405	1.490	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCC[C@H]2c2ncccn2)cn1	912646051	DMAMOUXVJFFZML-CZAWJFPGSA-N	308.345	1.481	50	20	DDGD	
CC(C)CC(=O)NCCC(=O)NNC(=O)c1ccccc1F	741515080	RHLPJMMWMGJRRR-UHFFFAOYSA-N	309.341	1.139	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc([C@@H]2CCOC2)c1	843657188	BSVHSUZAYMIOJZ-GLQYFDAESA-N	318.373	1.377	50	20	DDGD	
CO[C@H](C=NNC(=O)COCc1ccccc1)[C@@H]1CCOC1	841626929	UYSRLBNMEXKQQO-HUUCEWRRSA-N	306.362	1.357	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccnc(C(F)(F)F)c1	843658351	UXXDMHGRHNOTMC-APPZFPTMSA-N	317.267	1.286	50	20	DDGD	
Cc1ccc2cccc(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)c2n1	843651800	OXDCRIZFKCAFJH-YPMHNXCESA-N	313.357	1.729	50	20	DDGD	
CC[C@H](CNC(=O)NNc1ncc(Br)cn1)OC	847374169	TYPSKZLLVIJSAH-MRVPVSSYSA-N	318.175	1.290	50	20	DDGD	
CCCC(C)(C)C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1	846627806	BFEDNWBAZBINQZ-BETUJISGSA-N	313.442	1.459	50	20	DDGD	
O=C(NCCN1CCOCC1)NNc1nccc2sccc12	918318609	LQELKUYSRZZRRV-UHFFFAOYSA-N	321.406	1.255	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2COCCO2)c(C)c1	745172988	BAGJLTOWOFPHJE-LBPRGKRZSA-N	309.391	1.036	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CSc1ccccc1O)[C@@H](C)O	842240152	OGXQUTHPSFQTOC-ZJUUUORDSA-N	312.391	1.039	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)[C@@H]1COc2ccccc2O1	916292357	YBQXWJITLSCVFB-HNNXBMFYSA-N	314.345	1.327	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1CCc2ccccc2C1	745843960	YORAPCLKVKUOMP-AWEZNQCLSA-N	315.417	1.616	50	20	DDGD	
CCn1c(NNC(=O)c2c[nH]cc2C)nc2ccccc2c1=O	916740266	MHYONRDSSGNTBO-UHFFFAOYSA-N	311.345	1.810	50	20	DDGD	
COCCn1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2OC)nn1	841097672	OLWRZWBUXXYUBK-UHFFFAOYSA-N	322.277	1.061	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc(Cn3cccn3)o2)n1	915058660	UJDTVGQMTSBJRI-UHFFFAOYSA-N	312.333	1.688	50	20	DDGD	
Cn1c(NNC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)nc2ccccc21	848380410	FIPHURUJABNMRS-MNOVXSKESA-N	315.377	1.308	50	20	DDGD	
Cc1ccccc1C(=O)NNS(=O)(=O)c1sccc1C	741647874	RTXYTVDRMZSWFA-UHFFFAOYSA-N	310.400	1.988	50	20	DDGD	
Cc1nc([C@@H]2CCN(C(=O)[C@]3(C)C[C@@H]3Br)C2)n[nH]1	910465527	VTBRWZKTLUONNZ-VDDIYKPWSA-N	313.199	1.603	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)CCOc1ccccc1)C1CC1	747102282	MDTDMCQZWWJSBL-GFCCVEGCSA-N	305.378	1.832	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ncccc1C(F)(F)F	843663093	VJMDRBWXCPHCMP-SFYZADRCSA-N	317.267	1.286	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1nsc2ccccc12	923054706	RQKFFTYBUILZPM-UHFFFAOYSA-N	305.359	1.484	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cc1coc2cc(F)ccc12	843654788	SHKUWTQQLCXMMC-BXKDBHETSA-N	320.320	1.687	50	20	DDGD	
CCn1ccc(CC(=O)NNC(=O)CCOc2ccccc2)n1	845339426	LUNYHUAAMSTAJO-UHFFFAOYSA-N	316.361	1.062	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)Cc1cc[nH]n1)C(=O)c1ccccc1	755286035	IXYLHXZACZLZKF-NSHDSACASA-N	314.345	1.009	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCCC(F)(F)CC1	859537069	RGGDRWADOQUKLN-LLVKDONJSA-N	305.369	1.690	50	20	DDGD	
C[C@]1(CC(=O)NNC(=O)c2cccc(F)n2)CC1(Cl)Cl	856428361	UWYWNDSVGOWTMN-NSHDSACASA-N	320.151	1.956	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@@H]1CCOc2ccccc21)C1CC1	855101092	PAIWFGICMLFKAM-ZWNOBZJWSA-N	319.430	1.847	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)C[C@H]1Br	857391974	WSUFBTYMHPEOQL-DCJFZGGZSA-N	317.227	1.568	50	20	DDGD	
Cc1nc[nH]c1C=NNC(=O)c1nn(-c2ccccc2)cc1O	755577492	VZJWENCGFCNUQA-UHFFFAOYSA-N	310.317	1.373	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@H]1CCCc2nn[nH]c21	854389149	FLJMDRNCFLBKDX-LBPRGKRZSA-N	324.344	1.209	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNc2ccc([N+](=O)[O-])cc2F)C1	854141229	UFWMDVGMBDJAQQ-WAAGHKOSSA-N	312.301	1.928	50	20	DDGD	
CN(C/C=C\C(=O)NNc1ccc(C#N)cn1)CC(F)(F)F	924811791	BCHBXSMRJHWKAH-IHWYPQMZSA-N	313.283	1.447	50	20	DDGD	
CCOC[C@@H]1CN(S(=O)(=O)CC(C)(C)CCl)CCO1	867561304	FUYFMBYXSSBCNQ-NSHDSACASA-N	313.847	1.319	50	20	DDGD	
O=C(NCCOCCF)NNC(=O)c1cccc2cccnc12	852030771	USBGMVDGGQXQEH-UHFFFAOYSA-N	320.324	1.165	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1C1CCCC1)OCC(F)(F)F	856022198	UJDGILDZQJGSGB-JTQLQIEISA-N	323.315	1.713	50	20	DDGD	
CO[C@H](C)CNC(=O)NNC(=O)c1c(Cl)cccc1Cl	852052573	NWWLHALVFYBFJR-SSDOTTSWSA-N	320.176	1.972	50	20	DDGD	
O=C(NN=Cc1cnc2n1CCC2)c1cc(Br)c[nH]1	853283763	CAUCTORKLAEHMG-UHFFFAOYSA-N	322.166	1.684	50	20	DDGD	
COC[C@H](C)OC[C@H](O)CNC[C@]1(C)C[C@@H]1Br	857240396	JRZICBLTGDQELA-USZNOCQGSA-N	310.232	1.162	50	20	DDGD	
CCC1(C(=O)NNC(=O)c2cc3ccccc3cc2O)COC1	755677584	JECOMWKZBJARCY-UHFFFAOYSA-N	314.341	1.733	50	20	DDGD	
Cn1cc(-c2nn(C)cc2C(=O)NCCCSC#N)cn1	854361208	QZEUKQPOUQAZMS-UHFFFAOYSA-N	304.379	1.155	50	20	DDGD	
C[C@@H](OC[C@H]1CCCO1)C(=O)NNc1ncccc1[N+](=O)[O-]	759285542	MJEDVHRHNXVTQA-NXEZZACHSA-N	310.310	1.017	50	20	DDGD	
C[C@]1(CNc2cc(-n3cccn3)nc(N)n2)C[C@@H]1Br	856787898	SESOGVKHABCXSC-QPUJVOFHSA-N	323.198	1.830	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNc2cnnn2C)cc1OC	857274061	YLMUXCGVDXEAEW-SNVBAGLBSA-N	319.365	1.154	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cccc2nc[nH]c12)C1CC1	855099054	QNPKZPOTWUBJQW-MRVPVSSYSA-N	303.391	1.470	50	20	DDGD	
O=C(NNC(=O)c1occ2c1CCOC2)OCC(F)(F)F	856018871	IZLQAOFGSJSGHV-UHFFFAOYSA-N	308.212	1.286	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNC(=O)C(C)(C)C)[C@]12CCCO2	759264477	GQHXNQFNQLOKOS-FIXISWKDSA-N	313.398	1.090	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=O)CC2CCCC2)C1	857853316	BUNPEYGUDJZVEU-MFKMUULPSA-N	304.394	1.803	50	20	DDGD	
CCc1nocc1C(=O)NNC(=O)COc1ccc(C)c(C)c1	854191237	AAQQFJWAIQQEIO-UHFFFAOYSA-N	317.345	1.694	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H]2CC[C@H](CN)C2)C[C@@H]1Br	857106715	XRVNMPJWRBEBJH-MIZYBKAJSA-N	304.232	1.587	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cnn(C3CCC3)c2)cc1	931161838	GHUFCLAOWPYHEW-UHFFFAOYSA-N	309.329	1.555	50	20	DDGD	
CC(C)OCCCC(=O)NNc1ccccc1S(C)(=O)=O	752580249	YTWKHQDHYOILBD-UHFFFAOYSA-N	314.407	1.738	50	20	DDGD	
Cn1ncc(C2CC2)c1C=NNC(=O)COc1ccc(C#N)cc1	853265014	BJCZXJYVFAMNCR-UHFFFAOYSA-N	323.356	1.698	50	20	DDGD	
CC[C@@H](C(=O)NNCC(F)(F)C(F)(F)F)N1CCCC1=O	863095639	TUDHAFXPQYDZRX-ZETCQYMHSA-N	317.258	1.206	50	20	DDGD	
CC[C@]1(C(=O)NNC(=O)Nc2ccc(Cl)cc2)CCNC1=O	868118974	FWJVZUJZYNYZIT-AWEZNQCLSA-N	324.768	1.409	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cncc(Br)c2)n[nH]1	767360304	LGISBDKNWNSZSQ-UHFFFAOYSA-N	322.166	1.568	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H](C)OC1CCCCCC1	760450625	SZTHQTWYJXAQTE-LBPRGKRZSA-N	315.414	1.481	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	863853046	NDKOMVXYTQYZDR-RYQLBKOJSA-N	321.380	1.832	50	20	DDGD	
CCc1c(C(=O)NNc2nccc(N(CC)CC)n2)cnn1C	762896601	ANBXDXZWOGIBOR-UHFFFAOYSA-N	317.397	1.376	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNCC(F)(F)C(F)(F)F	863094467	VCORWTURRMLPNB-UHFFFAOYSA-N	319.274	1.501	50	20	DDGD	
Cc1cn2ccnc(C(=O)NNc3cnc4ccccc4n3)c2n1	762263175	HULCYFXCGGFUGI-UHFFFAOYSA-N	319.328	1.738	50	20	DDGD	
C[C@H](NNC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(F)(F)F	862324074	BOGCZLADOHRRAX-CQFDHEJISA-N	308.300	1.680	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)c2cc(Cl)ccc2O)nn1	767148407	SGWZJUWIZZCINB-UHFFFAOYSA-N	323.740	1.122	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1	764197613	MKRNMIYNULEMRA-UHFFFAOYSA-N	317.305	1.057	50	20	DDGD	
CCO[C@H]1COCC[C@@H]1NC(=O)NNc1cccc(C#N)c1	760128715	WEZKQFCISRYUEQ-KBPBESRZSA-N	304.350	1.378	50	20	DDGD	
COc1ccc(CCCC(=O)NNC(=O)c2cn[nH]c2)cc1	862474752	OKPDOCWKCVDHMS-UHFFFAOYSA-N	302.334	1.202	50	20	DDGD	
C[C@@H](CN1CCCCCC1)C(=O)NN=C1CCN2CCC[C@H]12	765568763	GGISOPWWJHKXJI-GOEBONIOSA-N	306.454	1.839	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C/C=C\c1ccccc1	763193519	PHOQKGHUQXJUFO-XAVWIBHWSA-N	308.341	1.627	50	20	DDGD	
CC(=O)N(CC(=O)NNC(=O)CC(F)(F)F)c1ccccc1	878345200	MMAAVJYOWPGSLP-UHFFFAOYSA-N	317.267	1.139	50	20	DDGD	
CC(C)C[C@@H]1OCCC[C@H]1NS(=O)(=O)CBr	774899342	MFBIMRNCECBFKH-ZJUUUORDSA-N	314.245	1.852	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCCc2ccc(F)cc21	776184911	BFFFUTQCLNHKRE-UHFFFAOYSA-N	303.337	1.605	50	20	DDGD	
Cc1nn(-c2ccccc2)c2ncc(C(=O)NN(C)C(N)=O)cc12	778417758	XCTIWOHNPSHLPP-UHFFFAOYSA-N	324.344	1.384	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc(C(F)(F)F)cc1	872402986	RVTQTERIEDSUMV-UHFFFAOYSA-N	304.268	1.819	50	20	DDGD	
Cc1cc(S(=O)(=O)N2CC=C(C#N)CC2)cc(C(=O)O)c1C	871934126	CYRYFONYJUUDAG-UHFFFAOYSA-N	320.370	1.846	50	20	DDGD	
C[C@@]1(CNC(=O)C2(O)Cc3ccccc3C2)C[C@H]1Br	1118845326	WJVOGRMDPNKGAR-OCCSQVGLSA-N	324.218	1.806	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H]2CCN(C)C2=O)c1	873756548	IOXMTKWOMSSCGQ-LLVKDONJSA-N	320.418	1.099	50	20	DDGD	
CN(N=Cc1cn(C[C@@H]2CCCO2)nn1)C(=O)OC(C)(C)C	872343701	APAJTZBPNXIYMR-LBPRGKRZSA-N	309.370	1.658	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)Cc2cn3ccccc3n2)c(C)c1	779928212	CXHDTOTYMPPLTE-UHFFFAOYSA-N	323.356	1.350	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCSc2cc(C)c(C)cc21	777446280	HBTQENVYYOUBSW-UHFFFAOYSA-N	321.402	1.976	50	20	DDGD	
O=C(CSc1ncco1)NNC(=O)c1ccccc1Cl	772247973	VWYVPKMIFISAGO-UHFFFAOYSA-N	311.750	1.881	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2)C1	1120478276	RNXYUUZJVMUXPT-AOOOYVTPSA-N	310.737	1.300	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1cccnc1Br	887148080	NFVSUYGBJZWXHG-UHFFFAOYSA-N	324.178	1.338	50	20	DDGD	
C[C@]1(CNS(=O)(=O)CCCCl)C[C@@H]1Br	882432390	IHUILTVCUMTAJP-JGVFFNPUSA-N	304.637	1.708	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc(F)c(F)c1F	883065681	SHXACELNGZAMTK-UHFFFAOYSA-N	302.252	1.292	50	20	DDGD	
CCC1(O)CCC(NC(=O)NNc2cccc(OC)n2)CC1	780041782	JRSRMKDYHIVXSY-UHFFFAOYSA-N	308.382	1.800	50	20	DDGD	
O=C(NNc1ncncc1Cl)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2	781008564	BVQDLQHGSLSGRW-JMJZKYOTSA-N	323.784	1.714	50	20	DDGD	
COc1nn(C)cc1C(=O)NNc1cccc(C(F)(F)F)n1	895290326	WRCQPLRZULDRSD-UHFFFAOYSA-N	315.255	1.599	50	20	DDGD	
CCc1c(C(=O)NNC(=O)C2CCOCC2)cnn1C(C)(C)C	894103561	MMISCZGRLHTKNO-UHFFFAOYSA-N	322.409	1.388	50	20	DDGD	
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NNC(=O)c1ccc[nH]1	787430917	MIVLTJVSMMTJGW-CYBMUJFWSA-N	309.329	1.518	50	20	DDGD	
CCOc1ccc(C(C)(C)C(=O)NN(C)C(N)=O)cc1OCC	783597229	KRRBZHYPHIWDSI-UHFFFAOYSA-N	323.393	1.803	50	20	DDGD	
CC(C)(C)N1C[C@H](NC(=O)NNc2ccc(F)cn2)CC1=O	787884827	PVZMUFNBCQMSKV-SNVBAGLBSA-N	309.345	1.246	50	20	DDGD	
COC(=O)[C@@H](CC(F)F)NS(=O)(=O)CCCCCl	780825746	VJPRIYKTGXOHJE-SSDOTTSWSA-N	307.746	1.122	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@@H]1Cc2ccccc2CN1	892814433	OWRYAISWEYNCNM-ZDUSSCGKSA-N	304.394	1.077	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccc(SC(F)F)cc1	781587704	IKPCOGDBDOQHBV-UHFFFAOYSA-N	315.345	1.976	50	20	DDGD	
CSC1(CNC(=O)NNc2ccc(F)cn2)CCOCC1	787885997	JBIHGCBLXVVDAT-UHFFFAOYSA-N	314.386	1.759	50	20	DDGD	
C[C@H](OC(=O)/C(C#N)=C\c1ccccc1)C(=O)N1CCNC1=O	785345456	PNQWEOUKCLJNHP-KWJWQAOWSA-N	313.313	1.077	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)CCCOCc1ccccc1	799201519	ZKXXUWXLLLSVOA-AWEZNQCLSA-N	321.421	1.471	50	20	DDGD	
C=C(CBr)CN(C)CC(=O)NCc1ccco1	791440050	MXPSRADXDCYIAH-UHFFFAOYSA-N	301.184	1.779	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cccc(C)n2)c(C)n1	797634564	AASAZPYZNVVDJM-UHFFFAOYSA-N	315.333	1.569	50	20	DDGD	
CSSCCNC(=O)N(C)[C@H](C)C(=O)NC(C)(C)C	790875545	LSAPVTSRWHAYLT-SECBINFHSA-N	307.485	1.942	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1O	790086187	LLLKYODRQQFDHO-UHFFFAOYSA-N	314.297	1.504	50	20	DDGD	
CSSCCNC(=O)N(C)[C@@H](C)CS(C)(=O)=O	790881095	UKUXPQXUFBZCGX-QMMMGPOBSA-N	300.471	1.072	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)NC2CCCCC2)cn1	795281134	QHKYGPYXTOASSN-UHFFFAOYSA-N	312.395	1.215	50	20	DDGD	
COc1ccccc1CNC(=O)NNC(=O)N=c1cc[nH]cc1	794748359	MFYYQSWOALENRU-UHFFFAOYSA-N	315.333	1.048	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H](C)c2ccc[nH]2)cc1	1319644644	CRTVRWPACLYWLV-JTQLQIEISA-N	302.334	1.729	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)NC(C)C)c(Cl)c1	1318329501	PWBOQXSUIANBNT-UHFFFAOYSA-N	301.799	1.866	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1c(C)noc1C	1326751557	KLGJIFNHTFXAPF-USWWRNFRSA-N	324.381	1.498	50	20	DDGD	
COc1ccccc1CCC(=O)NNc1nncc(N)c1Cl	1333588545	RGEMODCULUJYCZ-UHFFFAOYSA-N	321.768	1.797	50	20	DDGD	
CC1=NO[C@](C)(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)C1	1336784352	SAOFVIJJSWPFQU-INIZCTEOSA-N	314.345	1.413	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CC[C@@]2(CCOC2=O)C1	1337667668	NFCFOYAOLABEKR-HOFZKYPUSA-N	312.325	1.465	50	20	DDGD	
Cc1ccc2c(c1)S[C@H](C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)C2	1349432115	DAHGMAIMJWZENY-OSMZGAPFSA-N	320.414	1.584	50	20	DDGD	
CCCN1CC[C@H](NC(=O)NNC(=O)c2ccc(OC)cc2)C1	1347368456	XYKMSQSQDSBAQO-ZDUSSCGKSA-N	320.393	1.124	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)[C@@H]1CN2CCN1C[C@H]2C	1347883768	IGIQOWMPYZSCIC-RISCZKNCSA-N	308.813	1.480	50	20	DDGD	
Cc1c(C(F)(F)F)n[nH]c1C(=O)NNC(=O)C1CCCC1	1346677104	VNXBRONTAONSND-UHFFFAOYSA-N	304.272	1.688	50	20	DDGD	
CC1(C)OC[C@H]2C[C@]21C(=O)NNc1cccc(F)c1C(=O)O	1604561024	XWYQIBCJJXLEOS-ANRSDYALSA-N	308.309	1.782	50	20	DDGD	
O=C(O)Cc1cccc(NC(=O)NNc2ccc(Cl)cn2)n1	1602140052	YLXNULQDFYITMN-UHFFFAOYSA-N	321.724	1.906	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)O)s2)cn1	1600946403	MFMCYFTUEUIRQK-WTKPLQERSA-N	302.315	1.725	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNc2cccc(C(=O)O)c2)C1	1604852487	FZJGOEMMLBJGAR-LLVKDONJSA-N	305.334	1.086	50	20	DDGD	
CCc1cc(NC(=O)NNc2ncccc2C(=O)O)nn1C	1603968532	YRBRCOVERWHZEU-UHFFFAOYSA-N	304.310	1.224	50	20	DDGD	
CC(C)C[C@@H]1C[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1603306996	VLYAEZRVAUVLJH-DGCLKSJQSA-N	300.366	1.992	50	20	DDGD	
O=C(NC[C@H]1C[C@H]1C(=O)O)NNc1ccc(OC(F)F)cc1	1608460836	KWJBNELFHSZFQD-GMSGAONNSA-N	315.276	1.635	50	20	DDGD	
CC[C@@H](C(=O)O)C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	1609886442	MAKDQVXFTNACSM-WCBMZHEXSA-N	324.402	1.745	50	20	DDGD	
CC(C)c1n[nH]cc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	1603388192	PJBJMDALICFZIY-UHFFFAOYSA-N	312.337	1.470	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cc(C(=O)O)sc1C	1607361774	QDSSVCUAQPEPAG-UHFFFAOYSA-N	323.334	1.702	50	20	DDGD	
COc1cc(C(=O)O)ccc1NC(=O)NNc1ncccn1	1610286712	MCFFASBQCRJSSK-UHFFFAOYSA-N	303.278	1.332	50	20	DDGD	
C[C@@H](CN)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(Cl)Cl	1802341101	YHTWGXLEYMGPES-QEYWKRMJSA-N	322.236	1.023	50	20	DDGD	
O=C(/C=C\c1ccc(O)c(O)c1)NNc1ccccc1C(=O)O	1610652919	UOFRVDVKEZIROL-VURMDHGXSA-N	314.297	1.953	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCO[C@@H]1c1nccn1C)c1cnc[nH]1	1549315801	MSKVAOFRYCYPAC-AAEUAGOBSA-N	316.365	1.151	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@H]1C(=O)NN=Cc1ccoc1	1549308072	BXSXYZRKQFAXLV-OLZOCXBDSA-N	302.334	1.631	50	20	DDGD	
O=C(NN=C1CC[C@@H]2COCC[C@@H]2C1)[C@@H]1CN2CCC[C@H]2CO1	1550695741	FQQUDFVNHJMMQV-VDERGJSUSA-N	321.421	1.158	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@@H]2C=NNC(=O)[C@@H]2CCCOC2)cn1	1552452258	DGSFAUWAWAGNNY-UMVBOHGHSA-N	320.393	1.509	50	20	DDGD	
NCCCCC(=O)NNC(=O)c1cc(-c2ccccc2)on1	1574276092	OCHMNSRFHIKHBB-UHFFFAOYSA-N	302.334	1.232	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCCC2(CN)CC2)cc1	1578821043	VHHMZKKHINOIRO-UHFFFAOYSA-N	320.393	1.157	50	20	DDGD	
C=C(CCC(=O)O)C(=O)NNc1cncc(Br)c1	1588630620	UCXSBCTWZKAEKN-UHFFFAOYSA-N	314.139	1.708	50	20	DDGD	
CC(C)[C@]1(C)C[C@H]1NC(=O)NNc1cccc(-c2nn[nH]n2)c1	1589490794	OHRNLQQKQNKRRP-DOMZBBRYSA-N	315.381	1.927	50	20	DDGD	
O=C(C(Cl)Cl)N1CC2(CCCN2C(=O)c2ncc[nH]2)C1	1842303643	ADIQDICEYNEHHL-UHFFFAOYSA-N	317.176	1.030	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1cccc(C(=O)O)c1C)[C@H]1CCCO1	1588374121	OVRUECRIEHYNTL-TZMCWYRMSA-N	317.345	1.500	50	20	DDGD	
O=C(/C=C/[C@@H]1CCCNC1)NNC(=O)c1cccc(Cl)n1	1580493793	LHGALESVVFYJIH-FGEFZZPRSA-N	308.769	1.052	50	20	DDGD	
O=C(O)CCNC(=O)NNc1cc(Cl)nc2ncccc12	1595059221	UGENVUOXRWHNDC-UHFFFAOYSA-N	309.713	1.384	50	20	DDGD	
CCOCCCCNC(=O)NNc1ccc(F)c(C(=O)O)c1	1596907517	KEJMYXCBNALAFW-UHFFFAOYSA-N	313.329	1.967	50	20	DDGD	
O=C(O)CCCC(=O)NNC(=O)c1cccc2cccnc12	1595027835	QOTKGTXOPBOPJW-UHFFFAOYSA-N	301.302	1.251	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CC[C@](C(=O)O)(C(F)(F)F)C1	1596859710	GIXYBJMWCJSKIK-IOCXFXADSA-N	306.240	1.296	50	20	DDGD	
CC[C@@H]1[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCN1C	1590862723	YDLJTDBFXPAMOZ-QWHCGFSZSA-N	315.381	1.040	50	20	DDGD	
COc1cccc(-c2nc(C=NNC(=O)C(=O)O)cs2)c1	1599639926	CLQBHLOFUDVNSS-UHFFFAOYSA-N	305.315	1.353	50	20	DDGD	
CN(C)c1cccnc1C(=O)NNc1ccc(C(=O)O)c(F)c1	1598341737	HCNMDDLVWYXKSH-UHFFFAOYSA-N	318.308	1.742	50	20	DDGD	
O=C(NN=Cc1cccc(F)c1C(=O)O)c1ccc(CO)o1	1776097065	HEPWWDYVSWFSHE-UHFFFAOYSA-N	306.249	1.373	50	20	DDGD	
CC(=NNC(=O)c1ccc(=O)n(C)c1)c1ccccc1C(=O)O	1776103454	JZWKJAAOXJFVNL-UHFFFAOYSA-N	313.313	1.238	50	20	DDGD	
C[C@@H](Oc1cccc(C=NNC(=O)c2cccnn2)c1)C(=O)O	1776103505	MMIIHYNGKBMRCV-SNVBAGLBSA-N	314.301	1.092	50	20	DDGD	
Cc1ccc([C@@H](C)CNC(=O)NNC(=O)[C@@H]2CCCO2)cc1	162290829	BRWQGYXBDNCISA-JSGCOSHPSA-N	305.378	1.608	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@H]1C[C@H]1c1cccc(F)c1F	158872643	IHLNROMKOGKXHQ-QWRGUYRKSA-N	319.311	1.868	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	158911760	GRFVSRIDNVMRTH-SNVBAGLBSA-N	312.341	1.413	50	20	DDGD	
CC(C)N(CC(=O)NNC(=O)c1cccc(C#N)c1)CC(F)F	166714949	ZBKSUWAULUKQAX-UHFFFAOYSA-N	324.331	1.295	50	20	DDGD	
CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)c1cc(C)n[nH]1	151168163	UQFLLJSTBUNYKI-AWEZNQCLSA-N	316.361	1.645	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(CC(C)C)cc2)[nH]n1	153077421	OJIMIXAUDVGNNH-UHFFFAOYSA-N	300.362	1.991	50	20	DDGD	
C[C@@H]1CCC[C@H](C(=O)NNc2nccc(N3CCOCC3)n2)C1	155578119	WPBHYNVIMWILGE-OLZOCXBDSA-N	319.409	1.583	50	20	DDGD	
C[C@H](Cc1ccccc1Cl)C(=O)NNC(=O)c1cnn(C)c1	155239445	YNOVTLFIYXJLTC-SNVBAGLBSA-N	320.780	1.713	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2c(C)noc2C)n1	155779083	CPZJAOJWESIZGM-UHFFFAOYSA-N	304.354	1.685	50	20	DDGD	
Cc1noc(C)c1[C@H](C)C(=O)NNc1ncnc2nc[nH]c12	156297226	VXNYDQMYOKTCAC-LURJTMIESA-N	301.310	1.205	50	20	DDGD	
COc1ccc(NNC(=O)CC[C@@H]2CCOC2)c([N+](=O)[O-])c1	155357212	AFUJDNZGRKBFSQ-SNVBAGLBSA-N	309.322	1.863	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(F)cc1F)N1CCSCC1	154156831	KLPUQEHYNQTQTG-VIFPVBQESA-N	301.362	1.845	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNc1nccc(N(CC)CC)n1	155917128	UDHGXGWFNHUWFI-LBPRGKRZSA-N	309.414	1.971	50	20	DDGD	
O=C(NC[C@@H]1CCCS(=O)(=O)C1)c1cccc(CCl)c1	1262625006	XGYNLGCYWUCNQU-LBPRGKRZSA-N	315.822	1.980	50	20	DDGD	
O=S(=O)(CBr)N(Cc1ccncc1)C1CC1	127145424	KERQYWMUIQGHCA-UHFFFAOYSA-N	305.197	1.728	50	20	DDGD	
CCC(CC)[C@H](CNS(=O)(=O)CBr)N(C)C	127370079	SRTCRCGOWULCLL-JTQLQIEISA-N	315.277	1.625	50	20	DDGD	
COCCN1CCN(C[C@H](CBr)C2CC2)CC1	859072253	YZOBBISWBWZQIA-ZDUSSCGKSA-N	305.260	1.672	50	20	DDGD	
CCOC(=O)N(C)c1ccc(NC(=O)NNC(=O)OC)cc1	54529294	LCSXPECFBFHZTE-UHFFFAOYSA-N	310.310	1.672	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)Cc2ccc(F)cc2)cc1	8415315	INAMFNLFFFRVBL-UHFFFAOYSA-N	316.332	1.767	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccnn1Cc1ccc(F)cc1	119629692	UPKAAFMOYMIKSY-UHFFFAOYSA-N	307.285	1.463	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2[C@@H](C)CCC[C@@H]2C)n1	104077237	PCSBROGBVIUECM-RYUDHWBXSA-N	324.450	1.404	50	20	DDGD	
COCC[C@@H](C)NC(=O)NNC(=O)c1c(C)nc2ccccn12	101613242	RAVYEARJYHTIFQ-SNVBAGLBSA-N	319.365	1.012	50	20	DDGD	
CN(C)N(C(=O)CCCC(C)(C)C)[C@H]1CCS(=O)(=O)C1	103361262	RYOVFWCGXAXEQY-LBPRGKRZSA-N	304.456	1.695	50	20	DDGD	
CCCCCCNC(=O)NNC(=O)COc1ccccc1OC	55068183	SQYJVPXYMQLPTI-UHFFFAOYSA-N	323.393	1.985	50	20	DDGD	
C[S@@](=O)c1ccc(C(=O)NNc2ccc(Cl)nn2)cc1	173704158	DXBNSLHTZAYBDX-HXUWFJFHSA-N	310.766	1.624	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2c[nH]nc2C)c(C)c1	109859615	MJODCXGTHUZLKP-UHFFFAOYSA-N	302.334	1.175	50	20	DDGD	
O=C(NNc1ccccc1F)Nc1ccc2c(c1)C(=O)NC2=O	170703077	OPSBPPXJHMDKCM-UHFFFAOYSA-N	314.276	1.858	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)C[C@@H]2CCCOC2)cc1	113932959	VDIJVALXLUSGMQ-AWEZNQCLSA-N	319.405	1.114	50	20	DDGD	
O=C(NNC(=O)C1[C@H]2CCC[C@H]12)c1ccc2c(c1)OCCO2	177621741	KXPLIRGPOSCPRH-QWRGUYRKSA-N	302.330	1.265	50	20	DDGD	
COc1ccccc1Nc1ncccc1C(=O)NNC(C)=O	176966328	BCZATXVCRUAWTG-UHFFFAOYSA-N	300.318	1.615	50	20	DDGD	
Cc1nc(C)n(-c2ccccc2NC(=O)NNc2cnccn2)n1	179922118	CDEJIKYCSQXWDH-UHFFFAOYSA-N	324.348	1.823	50	20	DDGD	
COCCn1nc(C(=O)NNc2cc(C)ccc2C)ccc1=O	112206275	CMYKUNYXRJWAQZ-UHFFFAOYSA-N	316.361	1.263	50	20	DDGD	
O=C(NNS(=O)(=O)c1cn[nH]c1)c1cccc2ccccc12	172811757	GLTJDNUIURCKJE-UHFFFAOYSA-N	316.342	1.186	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1ccc(F)c(Cl)c1	66702788	PUXFFEYLJAJZQW-UHFFFAOYSA-N	303.721	1.346	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2cn3ccccc3n2)n1	174476387	HMNZOFXNBIOIIL-UHFFFAOYSA-N	312.333	1.127	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	129589583	ZSQPPJYLSIVZAY-LLVKDONJSA-N	316.361	1.653	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cnc2c(cnn2C(C)C)c1	63269576	SGEVNCAFPMDECW-UHFFFAOYSA-N	304.354	1.365	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)NC(=O)c2cccs2)ncn1	172283167	GHVUHYGDPKXANN-SECBINFHSA-N	305.363	1.108	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCO1)c1cc(-c2ccc(F)cc2)[nH]n1	32261640	ILLZDHMCJWSUTM-CYBMUJFWSA-N	318.308	1.156	50	20	DDGD	
CC[C@@H]1C[C@@H](C(=O)NNC(=O)Cc2ccccc2F)CCO1	180121802	INNWXOVBSAWIFO-QWHCGFSZSA-N	308.353	1.721	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)n1	32427864	BRWNZFUYJUVEHC-UHFFFAOYSA-N	324.344	1.941	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1c[nH]nc1-c1ccccc1	78275033	LNRHGAMTEBISRS-UHFFFAOYSA-N	309.329	1.490	50	20	DDGD	
C[C@@H](NC(=O)NNc1c(F)cccc1F)c1nnnn1C1CC1	188871774	MPSYXGORBZFJKZ-SSDOTTSWSA-N	323.307	1.674	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2CCCO2)c1C	32261961	WUPJQZYQTYXMEF-OCCSQVGLSA-N	306.362	1.397	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NNc1nnc(-c2ccccn2)s1	188215203	PXRRFMNGBJVDMD-SCZZXKLOSA-N	305.363	1.468	50	20	DDGD	
Cc1cc(O[C@@H](C)C(=O)NNC(=O)CN(C)C)ccc1C(C)C	75653918	FINJNYDQVCLQNZ-ZDUSSCGKSA-N	321.421	1.595	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H](NC(C)=O)C2CCCC2)n1	183032986	XKWSOEALDMLJJQ-AWEZNQCLSA-N	306.366	1.228	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H]1CCCCNC1=O	74215668	MKHBZNHPQRNBTF-LLVKDONJSA-N	312.801	1.137	50	20	DDGD	
Cc1c(C#N)cccc1NC(=O)C(=O)NNC(=O)CC(C)(C)C	184190733	IVLOPHJDPNBIBQ-UHFFFAOYSA-N	316.361	1.389	50	20	DDGD	
O=C(CN1CCCCCCC1=O)NNc1cc(Cl)ccn1	183015854	KDFFNRIMQUTXDC-UHFFFAOYSA-N	310.785	1.971	50	20	DDGD	
CCc1ccc(S(C)(=O)=O)cc1C(=O)NNc1ccncc1	180511490	PCXQNVSFWQASSH-UHFFFAOYSA-N	319.386	1.804	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(-n3cncn3)c(C)c2)n1	180694829	KQYPMRFNPACGQH-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2cc(C)c(C)o2)c1	134608927	DBMPJHGVASLVIR-UHFFFAOYSA-N	317.345	1.778	50	20	DDGD	
Cc1ccc(-n2[nH]c(C(=O)NNC(=O)C(C)(C)C)cc2=O)cc1	72967962	ILMPATPZBGUSRR-UHFFFAOYSA-N	316.361	1.281	50	20	DDGD	
C=CCOc1ccccc1C(=O)NNc1nccc(OC)n1	46365620	OZDHNMHIINIAKA-UHFFFAOYSA-N	300.318	1.807	50	20	DDGD	
Cc1nn(C)c(C)c1CNC(=O)/C(C#N)=C\c1ccc(O)cc1	194699869	MWCAZADLFRHWCA-ZSOIEALJSA-N	310.357	1.966	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F	47864418	AAPGNMJFSCQUTP-UHFFFAOYSA-N	320.208	1.589	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCc1csc(=O)[nH]1	89507659	AMNUWWBUDKJIEG-UHFFFAOYSA-N	314.798	1.419	50	20	DDGD	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NNC(=O)c1cnn(C)c1	80356112	PWYGELQLTXZNKE-YUTCNCBUSA-N	322.409	1.555	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(F)cc1Br	194931522	RHLXXUKLKRAPSF-UHFFFAOYSA-N	304.119	1.504	50	20	DDGD	
CCCCCS(=O)(=O)CC(=O)NNc1cccnc1Cl	85682262	LGSJBRDTVNDPEA-UHFFFAOYSA-N	319.814	1.783	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)NNc1cccnc1Cl	85684378	DGGMSGDQRHWHBN-UHFFFAOYSA-N	305.787	1.249	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCc2ccncc2)cc(C#N)n1C	192778861	ZUROEHOAGKGNRO-VIZOYTHASA-N	305.341	1.824	50	20	DDGD	
O=C(CCc1ccncn1)NNC(=O)NCCc1cccs1	192330283	WCVXHQKGFPLLBW-UHFFFAOYSA-N	319.390	1.044	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)/C=C\c1ccco1	255363960	YYCCSRCMCRFLSV-FPLPWBNLSA-N	310.313	1.710	50	20	DDGD	
Cn1cc(CCC(=O)NNC(=O)C(C)(C)c2ccccc2)cn1	264665072	UPJYLRNAXIBJKO-UHFFFAOYSA-N	314.389	1.478	50	20	DDGD	
O=C1C[C@H](C(=O)NNC(=O)C2CCC2)c2ccc(F)cc2N1	264778362	POYPNPAQXYBWLJ-NSHDSACASA-N	305.309	1.199	50	20	DDGD	
COc1ccc(OC)c(/C=C/C(=O)NNC(=O)C2CCC2)c1	264655822	CCTKPZYGNNKDSE-RMKNXTFCSA-N	304.346	1.665	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)c2cccc(OC)c2O)O1	268220584	JSSNWLLHQDSDSZ-BXKDBHETSA-N	308.334	1.119	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1	267945806	JEWOYYXTGJRQPY-QWHCGFSZSA-N	316.405	1.564	50	20	DDGD	
CCCCSCCC(=O)NNc1nc(O)c2cnn(C)c2n1	269336276	ZNAXAGVNOSMTJS-UHFFFAOYSA-N	324.410	1.435	50	20	DDGD	
CN(C)C(=O)c1ccc(C(=O)NNC(=O)OC(C)(C)C)cc1	263972308	FSSMPOLUULSMSQ-UHFFFAOYSA-N	307.350	1.558	50	20	DDGD	
COCCN1CC[C@H](NC(=O)NNc2c(C)cccc2F)C1	274550006	XDJDRBRHCNBFGW-LBPRGKRZSA-N	310.373	1.481	50	20	DDGD	
Cc1cc(N(C)C)ccc1NC(=O)NNC(=O)c1cccn1C	273314827	IZRLEHUIXMSCDK-UHFFFAOYSA-N	315.377	1.866	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNc1cccc(C(F)(F)F)c1	270945943	WVRQTVXXGITWKW-ZETCQYMHSA-N	305.256	1.893	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H]1CCC[C@@H]1CCO	275462778	YYHJIEQHBHSZGF-YPMHNXCESA-N	321.377	1.190	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1cccc2[nH]ccc12	272426783	CGKLYRMDTKZVJK-SNVBAGLBSA-N	320.349	1.372	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cc(C(C)C)on2)cc1	275784790	XRQNLPVBIBVMRJ-UHFFFAOYSA-N	318.333	1.888	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)Nc1cc2n(n1)CCCC2	287340007	LWOLBMQMEZICIN-UHFFFAOYSA-N	317.324	1.825	50	20	DDGD	
COCCN(C)NC(=O)c1ccn(-c2ccc(F)cc2C)n1	288548580	YMJBOVVGYFAMAG-UHFFFAOYSA-N	306.341	1.543	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@H]1CC(=O)N(CC(F)(F)F)C1	286579902	NAKFYQWQEBZBDI-ZETCQYMHSA-N	320.246	1.075	50	20	DDGD	
CCCC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	282780248	LHYXVQMGEMHMTB-LBPRGKRZSA-N	305.378	1.907	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2c(C)coc2C)cc1	286946476	CPUHVYLGDZVQRL-UHFFFAOYSA-N	317.345	1.778	50	20	DDGD	
Cc1nn(CCC(=O)NNc2ncccc2F)c(C)c1[N+](=O)[O-]	286032543	QJSSDNIHEARKHX-UHFFFAOYSA-N	322.300	1.476	50	20	DDGD	
O=C(NNS(=O)(=O)CCc1cccc(Cl)c1)C1CCC1	285280289	ZBRWKVYBBWJNML-UHFFFAOYSA-N	316.810	1.633	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2C)C1	288844342	WLAMCPAOPJRXOK-NSHDSACASA-N	320.349	1.605	50	20	DDGD	
CSCC[C@H](O)C(=O)NNC(=O)Nc1ccc(Cl)cc1	802022705	FPRCJDYMCKQYBL-JTQLQIEISA-N	317.798	1.607	50	20	DDGD	
CCCOc1ccc(NC(=O)NNC(=O)[C@@H]2CCCO2)cc1	296965634	RGKWYAIFFGWYFI-ZDUSSCGKSA-N	307.350	1.807	50	20	DDGD	
CCOc1ccc(NNC(=O)c2ccc(C(=O)OC)n2C)cc1	294359237	NUCDENLJPCOIBR-UHFFFAOYSA-N	317.345	1.967	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNc1ccncn1)c1ccsc1	296517161	HFPMGFYSICYDTL-NSHDSACASA-N	306.395	1.467	50	20	DDGD	
COCCCn1cc(C)c(NC(=O)NNc2ccncc2)n1	296795022	NKMNZPIOKSIIOV-UHFFFAOYSA-N	304.354	1.772	50	20	DDGD	
Cn1ncc2c1CCC[C@H]2NC(=O)NNc1ccc(Cl)nn1	298699770	RFILYQYBFFTKJF-SECBINFHSA-N	321.772	1.567	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)cc1	294347886	NCWGZQYZAQQEJZ-BYCMXARLSA-N	306.362	1.580	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)c2cccc(O)n2)cc1	803397757	YZMDLRNOWWXQFL-UHFFFAOYSA-N	315.333	1.320	50	20	DDGD	
CCCSCC(=O)OCC(=O)NNC(=O)c1cccc(C)c1	801323897	WBGMDUTUEQPFGP-UHFFFAOYSA-N	324.402	1.442	50	20	DDGD	
C#CC[C@@H](NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)c1ccccc1	297095331	ADPKCCAYUCYOKM-CFVMTHIKSA-N	315.373	1.649	50	20	DDGD	
CC[C@H](C)CONC(=O)NNc1ccc(-n2cccn2)nn1	291684422	CQTFKDCDKQGRPK-JTQLQIEISA-N	305.342	1.266	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c(C(F)(F)F)c1)NC1CCCC1	293436254	UTVKGQATDPWUGX-UHFFFAOYSA-N	304.272	1.920	50	20	DDGD	
COc1ccc(C)cc1NC(=O)C(=O)NNc1ncccc1F	807301224	BFEYQBKSJIXOSN-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
CC(=O)c1cc(NC(=O)NNC(=O)c2c[nH]nc2C)ccc1F	806569227	NVXFXIFKLPDPNW-UHFFFAOYSA-N	319.296	1.526	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CCOC[C@H]1CCCO1	805384068	AGZMRZAXQJVYDZ-CYBMUJFWSA-N	323.349	1.932	50	20	DDGD	
CC(=NNC(=O)Cn1c(C)nc2ccccc21)c1cnnn1C	814730624	RVNILKRRUWCXGJ-UHFFFAOYSA-N	311.349	1.014	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1C[C@H](c2ccccc2)OC1=O	813423387	CWXVDQKWSJMGPY-QWHCGFSZSA-N	319.361	1.421	50	20	DDGD	
COCCC(COC)=NNC(=O)c1cc(Cl)ccc1O	812224242	HNDJDJFCRMVJGL-UHFFFAOYSA-N	300.742	1.814	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C1CCC(NC(=O)C2CC2)CC1	819136357	SSPVFVULSGTAKP-UHFFFAOYSA-N	307.394	1.019	50	20	DDGD	
C[C@H](NC(=O)CC1CCCCC1)C(=O)NNC(=O)CC1CC1	819109501	FUHXKPLZNWMJAH-NSHDSACASA-N	309.410	1.409	50	20	DDGD	
NS(=O)(=O)c1ccc(NC(=O)NN=C2CCC[C@H]3C[C@@H]23)cc1	814967269	DBTDSUJKMNMBON-JOYOIKCWSA-N	322.390	1.632	50	20	DDGD	
CN(C)c1cccnc1CNC(=O)NNc1cncc(Cl)n1	812536226	USXJDUCITUMAEM-UHFFFAOYSA-N	321.772	1.417	50	20	DDGD	
Cc1c(CC(=O)NNc2cc(C#N)cc(Cl)n2)cnn1C	815905776	AMGYAPWTYCXUTF-UHFFFAOYSA-N	304.741	1.334	50	20	DDGD	
CN(NC(=O)CCn1c(S)nc2ccccc2c1=O)C1CC1	819645330	HACYQCOXRIOZBQ-UHFFFAOYSA-N	318.402	1.201	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=S)NC2CCC2)c1	814192403	WHJUSUSQFVFFHN-UHFFFAOYSA-N	307.419	1.730	50	20	DDGD	
COc1ccc(C=NNC(=O)Cc2cc[nH]n2)c(OC(F)F)c1	814957728	UHRFTADRTDFWGQ-UHFFFAOYSA-N	324.287	1.713	50	20	DDGD	
O=C(Cc1c[nH]c2cc(F)ccc12)NNc1ncncc1F	817080242	XAYCPSKEYMYIQM-UHFFFAOYSA-N	303.272	1.922	50	20	DDGD	
C[C@H]1CCCC[C@H]1OCCNC(=O)NNc1ncncc1F	814283263	DDJBZRQETQZHOR-CMPLNLGQSA-N	311.361	1.837	50	20	DDGD	
CNC(=O)NNC(=S)NCc1cccc(C(F)(F)F)c1	726477665	XVXQYWWTAPTYRU-UHFFFAOYSA-N	306.313	1.514	50	20	DDGD	
CCOc1ccc(NNC(=O)c2cnc(O)c([N+](=O)[O-])c2)cc1	817885629	HFOCLZFYAXQZOS-UHFFFAOYSA-N	318.289	1.851	50	20	DDGD	
O=C(O)[C@@H]1CCN(S(=O)(=O)c2ccc(CCCl)cc2)C1	819292607	XXDLXYONCHNFIG-LLVKDONJSA-N	317.794	1.563	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCCCCC1)c1cnnn1C	814766453	JWNGSXCKKUABRM-LBPRGKRZSA-N	306.414	1.167	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2ccc[nH]2)cc1F	726447091	QVDJEDAEAARXDY-UHFFFAOYSA-N	308.338	1.794	50	20	DDGD	
CC(C)c1cc(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)on1	826010373	PCBGTWBIJAJBBW-ONGXEEELSA-N	310.354	1.053	50	20	DDGD	
CCOC(=O)NN=C(C)c1cccc(S(=O)(=O)N(C)C)c1	490596073	GCTSLPWYWFDYDW-UHFFFAOYSA-N	313.379	1.407	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)cc1	828347294	JUQPQACFSIDNLS-VHDGCEQUSA-N	317.389	1.893	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)C(=O)N1CCCC1)C1CCCCC1	726269232	QEOMANIKMLPIMS-ZDUSSCGKSA-N	324.425	1.298	50	20	DDGD	
O=C(CS(=O)(=O)C1CC1)NNc1ccc(C(F)(F)F)cc1	827516612	ZQGSGQDZECHURB-UHFFFAOYSA-N	322.308	1.726	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@]1(C)CCOc2ccccc21	822871111	FMKFUODZWQPQKP-INIZCTEOSA-N	314.345	1.669	50	20	DDGD	
CCN(CCO)NC(=O)c1cnc(SC)n1-c1ccccc1	823837942	JNOZEHGAVZTHRE-UHFFFAOYSA-N	320.418	1.553	50	20	DDGD	
O=C(/C=C/c1cccnc1)NNC(=O)COc1ccccc1O	491559970	CMQBGNWAVPTWCV-BQYQJAHWSA-N	313.313	1.027	50	20	DDGD	
CO[C@@H]1CCC[C@H](C(=O)NNC(=O)CNc2ccccc2)C1	823975246	YYBTXEZQVVOJRW-GXTWGEPZSA-N	305.378	1.451	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNc1nc2ccccc2[nH]1)C(C)C	825213571	AQYPUCCKNVCDBF-LBPRGKRZSA-N	304.350	1.841	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=O)COCc2ccccc2)CC1	825969258	KCZNXMJXAYLVDG-UHFFFAOYSA-N	304.346	1.110	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1cc(-c2nn[nH]n2)c[nH]1	823281626	VIRYJPNYGMYPAF-UHFFFAOYSA-N	304.701	1.000	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CCCN2C(C)C)cc1F	821939329	OYTXLKZRQMWEFQ-AWEZNQCLSA-N	323.368	1.928	50	20	DDGD	
COCCONC(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C	490969733	FLQZYCUHCDNBEF-XNTDXEJSSA-N	321.377	1.353	50	20	DDGD	
CC(C)CO[C@@H]1CCN(C(=O)/C(C#N)=C\c2cnn(C)c2)C1	491109194	ZMFAJKPJBHSJDS-HWIKDYBBSA-N	302.378	1.601	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2	490635234	AUYXNRZWOOBEOC-UHFFFAOYSA-N	318.354	1.807	50	20	DDGD	
Cc1c(Cl)cccc1NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1	826237162	QJPDRVUBFCYVOO-UHFFFAOYSA-N	317.740	1.914	50	20	DDGD	
CC(C)(C)C(=O)NCCNC(=O)[C@@]1(C)C[C@@H]1Br	906483535	BFPYCVYTEPDMJP-UFBFGSQYSA-N	305.216	1.438	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(c2ccc(F)cn2)CC1	490811408	FTECYLUTONAUCE-QXMHVHEDSA-N	304.325	1.313	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)N[C@@H]1CCCOCC1	826448007	DWVNIYYMJPQRDR-LLVKDONJSA-N	317.353	1.062	50	20	DDGD	
C[C@]1(C(=O)NCCOC[C@H]2CCCO2)C[C@H]1Br	906712511	VPSQBYHZRYCKEU-FOGDFJRCSA-N	306.200	1.472	50	20	DDGD	
COc1cc(C#N)ccc1OCCCC(=O)NN(C)[C@H](C)CO	823971225	RBMPJBYHIYEURT-GFCCVEGCSA-N	321.377	1.070	50	20	DDGD	
Cc1ccsc1C=NNC(=O)Cc1cc(O)nc(S)n1	730587079	HOELGWFAVGSBHU-UHFFFAOYSA-N	308.388	1.534	50	20	DDGD	
COC[C@@H]1CN(C(=O)[C@]2(C)C[C@H]2Br)C[C@H](C)O1	907626003	WMKNOCAPUYQPEZ-UXCLJVHYSA-N	306.200	1.422	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@H](NC(=O)OC(C)(C)C)C1CC1	490784099	WQXXRYFQQINGPN-XSNHNAGMSA-N	323.393	1.850	50	20	DDGD	
N#Cc1ccc([C@@H](NNC(=O)CC2CCCC2)C(=O)O)cc1	739108924	YHVXHDWGLLKZIB-OAHLLOKOSA-N	301.346	1.885	50	20	DDGD	
O=C(NNc1ccc(Br)cc1F)[C@H]1C[C@@H](O)C1	821152492	DAVRYVUAMXPZTD-WRXNHJIOSA-N	303.131	1.802	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(CNC(=O)C=C(C)C)cc1	823864924	DZYOOHFKNOKHES-UHFFFAOYSA-N	319.405	1.228	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1cccc(-c2nn[nH]n2)c1	738137491	ONGFKSGTKCVCFK-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(-c2ccccc2)nc1O	496682267	ZTFVYGUPIAONAH-UHFFFAOYSA-N	301.302	1.797	50	20	DDGD	
Cc1nc(CCC(=O)NNC(=S)NCC2CCC2)cs1	733371280	ZHYRVVKXDMRRLV-UHFFFAOYSA-N	312.464	1.680	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H]2CCCCC(F)(F)C2)c(F)c1	585042958	HZHIOEDMJRDIKF-LLVKDONJSA-N	315.144	1.811	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)N[C@@H]1C[C@H]1C1CCCCC1	836324505	NORBKELDDHILMG-UONOGXRCSA-N	317.393	1.808	50	20	DDGD	
CC[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)c1nc(C)cs1	584942387	UNUVIPPZHCZWQP-LBPRGKRZSA-N	322.170	1.152	50	20	DDGD	
C#CCCCC(=O)NN[C@H](C(=O)OC)c1ccc(Cl)cc1	901643550	IOCPKTJUMFDSOE-AWEZNQCLSA-N	308.765	1.978	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2O[C@H]3C=C[C@H]2CC3)cc(C#N)n1C	831525470	WLBSHPVCNSTSNX-GZTMPHGLSA-N	308.341	1.973	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)c1ncon1)c1cccc(Cl)c1	832825630	BQGNXIRDHBVNBM-NSHDSACASA-N	322.752	1.924	50	20	DDGD	
C[C@@]1(C(=O)NCCS(=O)(=O)CC2CC2)C[C@H]1Br	907046099	VXMXSXNQSFDGFH-MWLCHTKSSA-N	324.240	1.101	50	20	DDGD	
CC[C@@H](C)Oc1cc(C=NNC(=O)NCC(=O)O)ccc1OC	833641128	NWWOWWHCLUGUFT-SNVBAGLBSA-N	323.349	1.590	50	20	DDGD	
CCC[C@H](CCc1ccccc1)NCc1ccc(B(O)O)o1	585025017	JTGJOBGJWSRHLI-OAHLLOKOSA-N	301.195	1.851	50	20	DDGD	
COC[C@H](OC)C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	830806400	LZSHUSSKZHYLDF-NSHDSACASA-N	317.267	1.682	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2cccc(C(=O)O)c2)no1	833672048	XECAXCBMHZQFJK-UHFFFAOYSA-N	318.289	1.017	50	20	DDGD	
Cc1cccc(O[C@@H](C)CNCc2ccc(B(O)O)cc2F)c1	585027840	DTJWAFORHZLGEA-ZDUSSCGKSA-N	317.169	1.371	50	20	DDGD	
C[C@@H]1C[C@H](c2ccsc2)CN1C(=O)c1ccc(B(O)O)cc1	584949443	GKZGILCRHOESQV-RISCZKNCSA-N	315.203	1.446	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C[C@H]1CCOC1	739679772	AULXXNPRATXZLH-WDEREUQCSA-N	310.325	1.167	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1sccc1C	733744766	PZHWGQXYKVOARM-LBPRGKRZSA-N	309.435	1.865	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)CSc1ccccc1O	834983352	WOVKRTFNKNCRGJ-UHFFFAOYSA-N	319.390	1.554	50	20	DDGD	
CC(C)c1ocnc1C(=O)NNc1nc(-c2cccnc2)no1	732109336	DXJMZBVQVHXOPA-UHFFFAOYSA-N	314.305	2.000	50	20	DDGD	
O=C(C[C@H]1CCC(=O)N1)NNc1ccccc1OC(F)(F)F	832518048	VCWRWJVHJWVVDM-MRVPVSSYSA-N	317.267	1.697	50	20	DDGD	
CC[C@@H](C)[C@@H](NNC(=O)CCOc1ccccc1)C(=O)OC	905754861	IANMEYDKPFSQKM-IUODEOHRSA-N	308.378	1.664	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2occc2Br)n[nH]1	735226947	GXANCLSKGHMIRP-UHFFFAOYSA-N	311.139	1.766	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NC[C@@H]2CCCC(C)(C)C2)cn1	836661072	JQNXCNIEKMRTTF-LLVKDONJSA-N	307.398	1.581	50	20	DDGD	
OB(O)c1ccc(CN[C@@H](c2cccnc2)C2CCCCC2)o1	585020032	MSUAIPPWALWLCL-QGZVFWFLSA-N	314.194	1.766	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1cccc(F)c1	732304535	VPUFYPFHWBUQPE-UHFFFAOYSA-N	308.334	1.986	50	20	DDGD	
CCOC(=O)NCC(=O)NNc1ccc(Br)nc1	732838515	REGWTHOCVRXQKQ-UHFFFAOYSA-N	317.143	1.033	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)c(-c2ccoc2)n1	833235879	LLIOARQZZKRTBA-LBPRGKRZSA-N	318.333	1.010	50	20	DDGD	
CC1=NO[C@H](C(=O)NNc2nnc(-c3ccccn3)s2)C1	834290987	QWWHYFDGNFANKR-VIFPVBQESA-N	304.335	1.208	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@@H]2CC23CCCC3)c1	747511528	JDZAGYLDLKBLPW-AWEZNQCLSA-N	317.389	1.835	50	20	DDGD	
C[C@H]1CC=C(C(=O)OCC(=O)NNC(=O)c2cccs2)CC1	838346856	HSZFMQUKYMNCNF-JTQLQIEISA-N	322.386	1.799	50	20	DDGD	
CCOCC(=O)NN=C(C)c1c(Cl)nc2sccn12	741841934	HHNVONXMSBOTOJ-UHFFFAOYSA-N	300.771	1.926	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(Cl)ncc1Br	910145976	AESHBRIXLDESBM-ZCFIWIBFSA-N	322.590	1.455	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)NCCc2cccs2)n1	834946359	OKBMEWSOEDPKSW-UHFFFAOYSA-N	306.395	1.544	50	20	DDGD	
Cn1cc(-c2cccc(C(=O)NNC(=O)c3ccncc3)c2)cn1	741658959	BDMBSLWWOQQVGO-UHFFFAOYSA-N	321.340	1.557	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccccc2[N+](=O)[O-])n1	916342943	DZHXXYGXBSVLTH-UHFFFAOYSA-N	301.306	1.558	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccccc1	843653386	NFJKTXVYBKFMCM-CFVMTHIKSA-N	304.390	1.999	50	20	DDGD	
O=C(CCn1cncn1)NNC(=O)c1ccc2ccccc2c1	918621936	GPYUSHIJQUXGPH-UHFFFAOYSA-N	309.329	1.283	50	20	DDGD	
C[C@@H]1[C@@H](CNC(=O)NNC(=O)c2ncccn2)CCC[C@H]1C	841585389	DBENLKIHRMJUPE-GRYCIOLGSA-N	305.382	1.493	50	20	DDGD	
COc1ccc(C(=O)NN=C2C[C@H](C)n3ncnc32)cc1OC	841604297	KXWGEPJUZLUGOI-VIFPVBQESA-N	315.333	1.394	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)[C@@H]1CCCCO1)CC(F)(F)F	840439218	FCRXMYPDQNAOPQ-IUCAKERBSA-N	311.304	1.474	50	20	DDGD	
C[C@H](NC(=O)NNc1ncnc2ccsc12)[C@@H]1CCCNC1	841928951	VWMYTKGUNNVLGF-VHSXEESVSA-N	320.422	1.706	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc([N+](=O)[O-])ccc1O	743059181	BAJLCLQOBIUMCY-UHFFFAOYSA-N	312.351	1.208	50	20	DDGD	
CN1C(=C(C#N)C(=O)CCC(=O)NCC#N)N(C)c2ccccc21	749608499	JGTWZVSNBPJEEE-UHFFFAOYSA-N	323.356	1.297	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C#N)cc1)c1cn(C)nc1C	917533544	MSRIHQSOWBEVPB-UHFFFAOYSA-N	311.345	1.519	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=C(C)c1ccn(C)n1	841608360	CMPDKZYOPNEWNO-UHFFFAOYSA-N	324.388	1.873	50	20	DDGD	
CCS[C@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ncccn1	841579571	NMNBVNFYJZMBSM-MNOVXSKESA-N	323.422	1.485	50	20	DDGD	
CC(C)Cn1nccc1C(=O)NNC(=O)c1ccc(C#N)cc1	843778041	ANUQKELBTAHFLN-UHFFFAOYSA-N	311.345	1.486	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)COCc2ccccc2)[nH]1	747632092	GQOSLVVUKBLBAI-UHFFFAOYSA-N	315.329	1.468	50	20	DDGD	
Cc1nc2cccc(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)c2[nH]1	843970835	LXWXMFUGXKOPMX-WPRPVWTQSA-N	302.334	1.057	50	20	DDGD	
CCC(=NNC(=O)C(=O)NC1CC1)c1ccc2c(c1)CCO2	915955820	KFCOQCDWRWBBFI-UHFFFAOYSA-N	301.346	1.130	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H](C)NC(=O)c2ccoc2)n1	747981664	JUUIAEATYUKFKR-ZETCQYMHSA-N	323.740	1.293	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1ncnc(Cl)c1C(C)C	840549994	YSYKDQIOFRGCHI-NSHDSACASA-N	321.812	1.794	50	20	DDGD	
COCC1(CC(=O)NNC(=O)COc2cc(C)ccc2C)CC1	843753536	RKBDLFWHZDQSKH-UHFFFAOYSA-N	320.389	1.646	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc(F)c1Cl	843652743	KWJGLIHWUUYJGA-YUMQZZPRSA-N	300.717	1.665	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1cccc2cnccc12)C(C)C	748759546	YAGPTNMBAYRRMZ-OAHLLOKOSA-N	300.362	1.839	50	20	DDGD	
CCCC[C@H](CN)NC(=O)NNC(=O)Cc1ccccc1C	841957004	DEFQQIXAVBIDQP-CQSZACIVSA-N	306.410	1.385	50	20	DDGD	
O=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)CCCCCl	841777360	UBYXJPHPVRLAGE-GFCCVEGCSA-N	319.810	1.621	50	20	DDGD	
CC(=NNC(=O)c1nn(C)c(=O)c2ccccc12)[C@H]1CCOC1	741759423	UJGDIMGOYPPJOB-NSHDSACASA-N	314.345	1.076	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1ccc(OCC#N)cc1	842559487	UWHUSARYCGTTHX-WFASDCNBSA-N	301.346	1.854	50	20	DDGD	
CCC(=O)N1CC[C@@H](NC(=O)NNc2cc(F)ccc2F)C1	921484628	RPARIFNSYHCZLL-SNVBAGLBSA-N	312.320	1.602	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1c(F)c(F)cc(F)c1F	843655397	VEDOPKGGHLRKCR-NTSWFWBYSA-N	320.242	1.429	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1ccc(C(F)(F)F)nn1	755188987	CQOXGEFTRVGZKG-VIFPVBQESA-N	313.283	1.036	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@@](O)(CC#N)C2)C[C@H]1Br	856961326	YALKUGMCAFIBFD-JLLWLGSASA-N	316.199	1.220	50	20	DDGD	
CN(C)[C@H](C(=O)NNC(=O)OCC(F)(F)F)c1ccccc1	856021991	QDRWFAMFSUHCCE-JTQLQIEISA-N	319.283	1.609	50	20	DDGD	
CC(C)C1(C(=O)NNC(=O)COc2ccccc2F)COC1	929250202	YZGNIKXWEYFPFL-UHFFFAOYSA-N	310.325	1.025	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1nc2ccc(Cl)cc2s1	856234481	AFWXOPOOJDYMSK-HTQZYQBOSA-N	324.793	1.904	50	20	DDGD	
COCC1CCC(NC(=O)NNC(=O)c2cccc(F)n2)CC1	852383072	PCHKDWORXYCHPN-UHFFFAOYSA-N	324.356	1.370	50	20	DDGD	
CO[C@@]1(C)C[C@H]1NC(=O)NNC(=O)c1cccc2cccnc12	852030743	SSQTUEHZLASPFF-WBMJQRKESA-N	314.345	1.356	50	20	DDGD	
C[C@H](C(=O)NC[C@@]1(C)C[C@@H]1Br)n1cnc(C#N)n1	857388361	REOTWKWRXOXVGU-VHSKPIJISA-N	312.171	1.000	50	20	DDGD	
CC[C@@H](CN1CCCC1)NC(=O)NNC(=O)c1ccccc1O	758848950	SGJMWUYHHTWMPT-LBPRGKRZSA-N	320.393	1.211	50	20	DDGD	
CC(C)(C(N)=O)C(=O)NNc1nc2ccc(Cl)cc2s1	856235285	VKJRJQFXAYLOIV-UHFFFAOYSA-N	312.782	1.904	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)C1CCN(C2CC2)CC1	855089808	HKOPTWXVJXBXDF-UHFFFAOYSA-N	310.467	1.156	50	20	DDGD	
Cc1ccc2c(c1)C(=NNC(=O)[C@H](C)NS(C)(=O)=O)CCC2	753922063	OXSOSHWABGEUTJ-NSHDSACASA-N	323.418	1.089	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@@H](O)C(F)(F)F)C[C@@H]1Br	856950806	IZNMQBMTRQKAFJ-SHYZEUOFSA-N	319.121	1.382	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2ccc3c(c2)OCCO3)CN1C1CC1	753954681	HOIHAFWMZDUUQH-NSHDSACASA-N	315.373	1.800	50	20	DDGD	
CCCNC(=O)NN=Cc1ccc(O[C@@H](C)C(=O)OC)cc1	758375374	RXRJAAJSATWDDY-NSHDSACASA-N	307.350	1.670	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1cncc(F)c1	759194966	ASHBZRATGUHVRT-UHFFFAOYSA-N	300.253	1.423	50	20	DDGD	
NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ccnc2cc(Cl)ccc12	856779884	BOGLYFAPMCZAHP-ZJUUUORDSA-N	318.764	1.843	50	20	DDGD	
CCn1cnc2c1CCN(S(=O)(=O)CC(C)(C)CCl)C2	922028917	KUGKYSOTKRFLAC-UHFFFAOYSA-N	319.858	1.856	50	20	DDGD	
O=C(NNC(=O)N1CCCC(F)(F)C1)c1cccc(F)n1	852711360	DZPQKHKZAUNKNP-UHFFFAOYSA-N	302.256	1.306	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C(F)(F)c1nccs1	756413731	PUVWIBQCYDOYNB-UHFFFAOYSA-N	300.290	1.035	50	20	DDGD	
C#CC1CCC(=NNC(=O)c2nn(C)c(=O)c3ccccc23)CC1	853272678	QCSWGUAYVRLTDV-UHFFFAOYSA-N	322.368	1.843	50	20	DDGD	
Cc1nn(C)c(C)c1CC(=O)NC[C@]1(C)C[C@@H]1Br	857402754	KWJUKBNPRMLUCT-AAEUAGOBSA-N	314.227	1.869	50	20	DDGD	
CO[C@H](C)C(C)=NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C	853376697	VKEJAZBBYGSXIW-YRGRVCCFSA-N	308.382	1.415	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)N[C@H]1CCO[C@@H](C2CC2)C1	852256021	OHJJWBPPXBURJY-CMPLNLGQSA-N	322.340	1.122	50	20	DDGD	
C[C@@H](c1nnnn1C1CC1)N(C)NC(=O)OCc1ccccc1	859386103	CJTMEOCPTAQOGP-NSHDSACASA-N	316.365	1.842	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NN=Cc3cncn3C)n[nH]2)cc1	755648056	CXHQNMWUINUQRF-UHFFFAOYSA-N	308.345	1.883	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ncccc1OCC(F)(F)F	752398952	CLTDOARZLFQBQS-UHFFFAOYSA-N	305.256	1.440	50	20	DDGD	
Cc1ccc(Br)c(C(=O)NNC(=O)N(C)C)n1	931118292	DOHJDRMMRZUDBX-UHFFFAOYSA-N	301.144	1.069	50	20	DDGD	
COCCOCC(=O)NNC(=O)[C@]1(C)CC[C@H](C)C1(C)C	869906059	VGLMOEULQQKQQQ-NHYWBVRUSA-N	300.399	1.259	50	20	DDGD	
C[C@H](C(=O)NNc1cc(F)c(F)c(F)c1)[C@H]1CCC(=O)N1	860329320	SLKGMPZIGADMCX-QUBYGPBYSA-N	301.268	1.462	50	20	DDGD	
CN(N=C1C(=O)N(Cc2ccccc2)c2ccccc21)C(N)=O	767903700	HGPCIWYCEFZZBL-UHFFFAOYSA-N	308.341	1.948	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccc(C)c(Cl)c1F	869905660	DGAGBRBQWLWVQF-UHFFFAOYSA-N	318.732	1.212	50	20	DDGD	
O=C(/C=C/CN1CCOCC1)NNc1cc(F)c(F)cc1F	866878944	IUPAHIMPUJJXPV-OWOJBTEDSA-N	315.295	1.435	50	20	DDGD	
CC1(C)[C@]2(C(=O)NNc3cccc(F)n3)CC[C@@]1(C)C(=O)O2	861686603	PSYKVGLIIZBIQR-LSDHHAIUSA-N	307.325	1.786	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cccc(COCC2CC2)c1	763441169	HXUZAANELUWMFJ-UHFFFAOYSA-N	319.361	1.109	50	20	DDGD	
O=C(/C=C/CN1CCOCC1)NNc1cccc(F)c1[N+](=O)[O-]	867912083	KBSIFPZPDRINHC-GORDUTHDSA-N	324.312	1.065	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C2(C(C)C)COC2)cc1	935857979	MDWRNOGSAWZPJW-UHFFFAOYSA-N	307.350	1.521	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccc(F)c(F)c1N(C)C	863076807	YGMXXIDBYFMAIH-UHFFFAOYSA-N	312.320	1.006	50	20	DDGD	
C[C@]1(CNC(=O)c2nc(C3CC3)no2)C[C@@H]1Br	866024894	XZENMBGGLXWTGG-WRWORJQWSA-N	300.156	1.850	50	20	DDGD	
COC(=O)c1ccc(F)c(NC(=O)NNc2cnccn2)c1	769958788	GBALNABBMUQKGO-UHFFFAOYSA-N	305.269	1.551	50	20	DDGD	
C[C@H](NNC(=O)c1cc2c(nc1O)CCCC2=O)C(F)(F)F	862307188	USZNJSAYJVFYFY-LURJTMIESA-N	317.267	1.491	50	20	DDGD	
CCc1cccnc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	766274028	CIGCJOBDKPUMNL-UHFFFAOYSA-N	314.301	1.627	50	20	DDGD	
O=S(=O)(CBr)NCC1(c2ccccc2)CC1	769934585	XMXLMBPTUKSLDG-UHFFFAOYSA-N	304.209	1.990	50	20	DDGD	
O=C1CCOc2ccc(S(=O)(=O)NCC(Cl)Cl)cc21	867470821	SPQWBGYNXKWWIZ-UHFFFAOYSA-N	324.185	1.734	50	20	DDGD	
Cc1nn(CC(F)F)c(C)c1C(=O)NNc1ncc(F)cn1	760924189	QYQZOMUDFJAGCU-UHFFFAOYSA-N	314.271	1.451	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2nc3c(s2)CCC3)n[nH]1	765308124	WSSIPQKSULHSPN-UHFFFAOYSA-N	306.351	1.130	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=C1CCN2CCC[C@H]12	765569372	KACVLLNSXSXOBX-DSJMHWKBSA-N	322.453	1.072	50	20	DDGD	
CCc1cc(OCC(=O)NN(CC)CCO)ccc1Cl	1119047398	HWFKRWGKSVUXQE-UHFFFAOYSA-N	300.786	1.627	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@H]1CC(c2ccccc2)=NO1	772435909	MBSWTZJPEDTEHD-SNVBAGLBSA-N	315.251	1.279	50	20	DDGD	
C=C[C@@H](COC)NC(=O)NNC(=O)Cc1c[nH]c2ccccc12	1116643543	DRMQGQIDJPDSQP-LBPRGKRZSA-N	316.361	1.242	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@@H](C)c1nccs1	1118126417	OIOPPVOYXCZASJ-KXUCPTDWSA-N	312.395	1.002	50	20	DDGD	
O=C(NNc1c(F)cccc1Cl)c1ccc2nnc(O)n2c1	771672499	CMCWDISDTGEKCQ-UHFFFAOYSA-N	321.699	1.984	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)Nc1cccc(C(N)=O)c1	770106425	ZKEWGANPPQPIFW-UHFFFAOYSA-N	314.349	1.848	50	20	DDGD	
N#CC1(C(=O)NNc2nc(O)c3ccccc3n2)CCOCC1	1116256083	WWHFXXHKNNHTTH-UHFFFAOYSA-N	313.317	1.099	50	20	DDGD	
CC[C@@H](NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)C(=O)O	776632060	ZAEPGWVUQAEVMI-KIKITERTSA-N	304.184	1.920	50	20	DDGD	
Nc1cnnc(NNC(=O)NCCOC2CCCC2)c1Cl	1116298583	ZKLGBVPOJVOISK-UHFFFAOYSA-N	314.777	1.298	50	20	DDGD	
CC(C)(C(=O)NNC(=S)Nc1ccccn1)C1CCOCC1	874955577	BHAYECJFOMIBRI-UHFFFAOYSA-N	322.434	1.852	50	20	DDGD	
CCC(=NNC(=O)N1CCOCC1)c1cccc(OC)c1OC	872346170	KEXSCNQOKDUQLP-UHFFFAOYSA-N	321.377	1.860	50	20	DDGD	
O=C(CO)NN=C1CCc2c(F)cc(Br)cc21	776781014	UCCQTAVGKGBOQG-UHFFFAOYSA-N	301.115	1.347	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccccc1[S@](=O)CC	887140638	MPYLIJZULXOKDX-OAQYLSRUSA-N	306.387	1.379	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@@](C)(O)C(C)C)c1C	770209194	RZHUVIMTMPMTBI-GUYCJALGSA-N	322.405	1.625	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)[C@H](CO)c1ccccc1	772744313	ZQOAUEXXHPUINU-UKRRQHHQSA-N	321.421	1.234	50	20	DDGD	
Cc1[nH]nc2ncc(C(=O)NNc3nccnc3C(C)C)cc12	772842786	WECDAHWHTHGWRN-UHFFFAOYSA-N	311.349	1.937	50	20	DDGD	
Cc1cc(NNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)ncn1	778506816	SNVWMNQZJWJECW-UHFFFAOYSA-N	323.259	1.928	50	20	DDGD	
COc1ccc(NCC(=O)NN=Cc2cccc3nccn23)cc1	771087418	FFSSTHFQWNRWLI-UHFFFAOYSA-N	323.356	1.905	50	20	DDGD	
O=C(NCCOc1cccnc1)NNc1cc(Cl)ccn1	778669371	DWSJGJGWDHPBFN-UHFFFAOYSA-N	307.741	1.835	50	20	DDGD	
O=C(NNc1ccc(F)cc1Cl)[C@@H]1CCc2nncn2C1	885136750	GUEFOHGOKBTDBI-MRVPVSSYSA-N	309.732	1.776	50	20	DDGD	
CN1CCN(CC(=O)NNc2ccc(Cl)cc2F)CC1	885107788	OHPXSBJODUEPRI-UHFFFAOYSA-N	300.765	1.170	50	20	DDGD	
O=S(=O)(CBr)NC[C@@H]1COc2ccccc2C1	782405838	SKPGGOJYNCIXNW-SECBINFHSA-N	320.208	1.510	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCCn1cnc2ccccc21	780711876	POILCVGIKCOOFN-UHFFFAOYSA-N	303.366	1.509	50	20	DDGD	
COc1cccc(NNC(=O)c2cn(-c3ccccc3)nn2)n1	780770092	CRGWLMLNMKOQDR-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cccc(Cl)c1)c1ncn(C)n1	780704686	QYOXEXHMMIQBPG-MRVPVSSYSA-N	322.756	1.174	50	20	DDGD	
CC(C)[C@H](F)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O	784764747	LHWMFKKTZCNJJD-LBPRGKRZSA-N	320.324	1.333	50	20	DDGD	
O=C1CCc2c(OS(=O)(=O)CBr)cccc21	782406952	BVWFZSOWVFDTSP-UHFFFAOYSA-N	305.149	1.877	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc3nn[nH]c3cc2F)n1	781897877	DRQBQVDYDZKJHQ-UHFFFAOYSA-N	301.285	1.261	50	20	DDGD	
CSCC1CCC(NC(=O)NNC(=O)c2cccnn2)CC1	883721108	HBNBDRLAZCUGCX-UHFFFAOYSA-N	323.422	1.342	50	20	DDGD	
O[C@@]1(c2cn(/C(Cl)=C/CBr)nn2)CCOC1	881311063	XIRSIXTYMJXSHF-AVIUQOOKSA-N	308.563	1.318	50	20	DDGD	
NC(=O)c1cc(NC(=O)NN=c2cc[nH]cc2)ccc1Cl	781162142	MZCULPTYCITSCA-UHFFFAOYSA-N	305.725	1.404	50	20	DDGD	
O=C(CCNC(=O)C1CCCCC1)NNc1ccnc(F)c1	781361621	DEOFJCOCSVAIJX-UHFFFAOYSA-N	308.357	1.750	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1cnc(Oc2ccccc2)cn1	780753468	BQLFKGFOPLXMSR-UHFFFAOYSA-N	307.313	1.843	50	20	DDGD	
CC1CCN(CCNC(=O)NNc2ncncc2Cl)CC1	780965507	NJBZOWOVYRYSLK-UHFFFAOYSA-N	312.805	1.488	50	20	DDGD	
CC(C)Cc1cc(C(=O)NNC(=S)NC(C)(C)C)cc(O)n1	899995689	ALIWSWJJEPROKR-UHFFFAOYSA-N	324.450	1.893	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(NC(C)C)nc1	787251579	IMOXVEYFWPDACS-SNVBAGLBSA-N	322.365	1.005	50	20	DDGD	
CN1CCCC[C@H](CNC(=O)NNC(=O)c2ccccc2O)C1	897544194	JXSDGTPKXAFUDL-GFCCVEGCSA-N	320.393	1.068	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1	781064314	ZKPBJZLBDKZFOK-QWHCGFSZSA-N	324.425	1.108	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H]1CCC(=O)[C@@H](C)C1	780737343	LBSKRMCSWBMXSD-WDEREUQCSA-N	304.346	1.922	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)[C@@H]1CCN(CC(F)(F)F)C1	792328103	DRRQSEQWEILBKY-MRVPVSSYSA-N	322.718	1.484	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)N2CCN(C)CC2)c(F)c1	790178703	IUJVBYGGEZHLPV-UHFFFAOYSA-N	308.357	1.515	50	20	DDGD	
COc1coc(C(=O)NNc2cccc([N+](=O)[O-])c2C)cc1=O	798983206	YXQSEDSTUOQTRN-UHFFFAOYSA-N	319.273	1.622	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2c(F)ccc(F)c2F)n1	794082913	CBAMHKKANNJGHR-UHFFFAOYSA-N	309.247	1.882	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2n[nH]cc2C)cc1C	799409437	BOTVNZZFERNQNG-UHFFFAOYSA-N	302.334	1.175	50	20	DDGD	
COC(=O)c1coc(C(C)=NNC(=O)c2ccc(O)c(O)c2)c1	794551247	NXXBLOGGZAYMOU-UHFFFAOYSA-N	318.285	1.631	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)NCc2ccco2)[nH]c1C	799477421	ANMMDXVUBRVQEO-UHFFFAOYSA-N	318.333	1.926	50	20	DDGD	
COCCN(C)c1ccc(C=NNC(=O)c2ccc(C)o2)cn1	790167225	NQWBMSUGSZGFFB-UHFFFAOYSA-N	316.361	1.830	50	20	DDGD	
COc1cc2c(cc1OC)C(=NNC(=O)c1cnccn1)CC2	794488477	IDQPDLGKRLZPOB-UHFFFAOYSA-N	312.329	1.574	50	20	DDGD	
COCC[C@@H](NC(=O)[C@H](Br)C(C)(C)C)C(=O)OC	794249979	TUGFVRLAIBWQEJ-BDAKNGLRSA-N	324.215	1.490	50	20	DDGD	
Cc1c[nH]nc1C(=O)NNC(=O)CSc1ccc(Cl)cc1	799407855	HRPMCCNQNSPNRL-UHFFFAOYSA-N	324.793	1.925	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CSC[C@H]1CCCCO1	1318389819	AANFVDZNXGKZCZ-SNVBAGLBSA-N	305.469	1.192	50	20	DDGD	
CCCCCNC(=O)/C(C#N)=C/c1ccc(S(C)(=O)=O)o1	1325574215	MADWROKUYQXAQJ-PKNBQFBNSA-N	310.375	1.896	50	20	DDGD	
CCCc1n[nH]cc1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1321333635	DQKOVVVKTAURTA-UHFFFAOYSA-N	316.365	1.039	50	20	DDGD	
COC(=O)NN=Cc1c(Br)cc(C(=O)O)n1C	1328551443	RDNFGWNOOFIQJI-UHFFFAOYSA-N	304.100	1.176	50	20	DDGD	
O=C(NCC1(c2ccccc2)CCC1)NNC(=O)c1cn[nH]c1	1329870084	ANPMPNBWDXVNQB-UHFFFAOYSA-N	313.361	1.476	50	20	DDGD	
Cn1nc(-c2ccco2)cc1NC(=O)NNC(=O)CC1CC1	1320994492	NETHWHMDXNPMNI-UHFFFAOYSA-N	303.322	1.633	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)OC(C)(C)C	1331263479	XTSZFILYOXGLGC-MXWKQRLJSA-N	311.382	1.045	50	20	DDGD	
Cc1c(C(F)(F)F)n[nH]c1C(=O)NNC(=O)[C@H]1CCCCO1	1335969995	CCMLOZLQQLGQGT-SSDOTTSWSA-N	320.271	1.067	50	20	DDGD	
Cn1ncc(C2CC2)c1C(=O)NNc1ccc(-n2ccnc2)nn1	1334407815	IBKAQCIYQKKNGX-UHFFFAOYSA-N	324.348	1.030	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CC(F)(F)F)ccc2cncn12	1334403956	BRQXOQRFVUDIGL-UHFFFAOYSA-N	300.240	1.356	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H](C)CS(C)(=O)=O)cc1Cl	1339820127	XWSCYAXGENTTKA-VIFPVBQESA-N	304.799	1.772	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cn(C)nc1C(F)F	1336769292	WQVZPOIVCATPKV-UHFFFAOYSA-N	324.378	1.424	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1csc(-c2ccco2)n1	1261497643	GNWCWTXVOPMPDY-RKDXNWHRSA-N	321.358	1.589	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1cccnc1N(C)C	1342247388	HNTNXXFWOJYTCG-SDNWHVSQSA-N	302.378	1.597	50	20	DDGD	
CO[C@](C)(C(=O)O)C(=O)OC[C@@H](CBr)C1CC1	1604461393	IMMOWMJIUVHYCE-LDYMZIIASA-N	309.156	1.440	50	20	DDGD	
CC(C)N1CCC[C@@H](C(=O)NNc2cccc(C(=O)O)c2)C1	1603892852	CBXUJQQOCGRINQ-CYBMUJFWSA-N	305.378	1.948	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@@](C)(CC(=O)O)C2CC2)cn1	1600944653	BIHAOZAAFGOVLX-GHAIFCDISA-N	302.334	1.087	50	20	DDGD	
CC1(O)CC(C(=O)NNc2ccc(-c3nn[nH]n3)c(Cl)c2)C1	1609150837	VELUDNRHPVEUQQ-UHFFFAOYSA-N	322.756	1.124	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1C(=O)O	1600455493	OSAFYXLODROGPO-ONGXEEELSA-N	321.333	1.271	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2CCC(=O)c3cccn32)nc1	1602384200	CNFINSAWTYEPHQ-LLVKDONJSA-N	314.301	1.242	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C[C@H](C)CC(=O)O)cc1	1607809263	OXYHQTACZDDTIF-NSHDSACASA-N	307.350	1.055	50	20	DDGD	
O=C(NCc1ccccc1)NNC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1	1601542133	BQDKTYKKNLLYTC-CHWSQXEVSA-N	319.361	1.408	50	20	DDGD	
COc1cc(C(=O)NNc2ccccc2)ccc1-c1nn[nH]n1	1605196439	ACZMDLQRHFDSKC-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1cccc(-n2ccnn2)c1	1608483223	UZLMPKFUAKBRDO-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(CC(=O)O)cc1)c1cnc[nH]1	1603238398	YDWOVTBUCKVHKO-UHFFFAOYSA-N	302.334	1.458	50	20	DDGD	
O=C(O)[C@@]1(C(=O)NNc2nccnc2C2CCC2)CC=CCC1	1605935460	JOHKREZGTAUTOT-INIZCTEOSA-N	316.361	1.998	50	20	DDGD	
O=C(NN=C1CCC[C@H](C(=O)O)C1)c1ccc2c(c1)OCCO2	1610699248	OPEGLJQMBFBVMO-NSHDSACASA-N	318.329	1.818	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)Nc1ccc(C(=O)O)cc1	1610700270	NTPDMRMLKGFWRH-GRYCIOLGSA-N	319.317	1.105	50	20	DDGD	
CC(C)O[C@@H]1CC(=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)C1(C)C	1549321241	RFIZRFUIFYRCSA-GZBFAFLISA-N	323.437	1.545	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@H]1C=NNC(=O)c1cccnn1	1552926662	NVYPFTRXTFPWFA-AAEUAGOBSA-N	314.349	1.186	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)c(C)c1	1550696209	ITWAVRRECUZVIQ-HOCLYGCPSA-N	317.389	1.317	50	20	DDGD	
C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](F)Cl)[nH]n1	1821876462	XUWGSUSRFSUANE-SKDRFNHKSA-N	312.732	1.569	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C[C@@H](CN)CC(C)C	1579307719	ZPOUFVFPNSKBHG-ZDUSSCGKSA-N	321.421	1.396	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN1)c1cc2sccc2nc1Cl	1580732731	HXZWPSLOUKGKQL-QMMMGPOBSA-N	310.766	1.073	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)[C@@H]2CC2(F)F)C1	1843852150	GAKJBJQOQKNCAR-YUMQZZPRSA-N	310.703	1.379	50	20	DDGD	
NCCNC(=O)NNC(=O)/C=C\c1ccccc1C(F)(F)F	1580311403	SGNMLBLBZAVJRM-WAYWQWQTSA-N	316.283	1.008	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](C(=O)O)[C@@H]1CCC[C@H](OC)C1	1596864285	UTONJVUHZWSXIM-GEJAVJCESA-N	310.350	1.205	50	20	DDGD	
CN(C(=O)/C(C#N)=C/c1cnn(C)c1)[C@H](C(=O)O)c1ccccc1	1597990466	NQUJPVSALIEAHH-NHXNDTTKSA-N	324.340	1.611	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2cc(O)cc(-c3nn[nH]n3)c2)c1	1592700164	GVCNXTKDMUVGHR-UHFFFAOYSA-N	321.300	1.201	50	20	DDGD	
CO[C@H]1CC[C@H](NC(=O)NNc2ccc(C(=O)O)cc2F)C1	1599102111	HLHZZAYJHTUCNA-UWVGGRQHSA-N	311.313	1.718	50	20	DDGD	
CN(C)Cc1ccc(C(=O)NN=Cc2c[nH]c(C(=O)O)c2)cc1	1776109706	VZDPJTFRVWOUHH-UHFFFAOYSA-N	314.345	1.538	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC=CCC1)c1n[nH]c(=O)c2ccccc12	17194571	JUBRVXVKFKWQFQ-SNVBAGLBSA-N	312.329	1.040	50	20	DDGD	
C/C=C(\C=C\C(=O)NNC(=O)CNC(=O)c1ccco1)CC	160121071	VJIZOEQVVVPOEI-BSFGFYRWSA-N	305.334	1.069	50	20	DDGD	
ICCN1CC[C@@H](N2CCCCC2)C1	759358527	APFGMQPDNJSWDF-LLVKDONJSA-N	308.207	1.982	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccc(Cl)cc2C1)c1ccc[nH]1	7849148	ZNNFIFFCDXFJMU-JTQLQIEISA-N	319.748	1.680	50	20	DDGD	
C[C@H](CN1CCCC1=O)NC(=O)NNc1c(F)cccc1F	172472835	WIZOVAIFCYMQFL-SECBINFHSA-N	312.320	1.602	50	20	DDGD	
Cc1nnc(NNC(=O)c2cccc(-n3cccc3)c2)nc1O	23311017	RXVZPECOTPRWMV-UHFFFAOYSA-N	310.317	1.433	50	20	DDGD	
Cc1sc(=O)n(CC(=O)NNc2ccc(F)cc2F)c1C	113431561	FKHALDJYWXXUTE-UHFFFAOYSA-N	313.329	1.948	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NNc1ccc(C(C)(C)C)nn1	118482721	YWPFKCJMUUXNFI-UHFFFAOYSA-N	308.386	1.478	50	20	DDGD	
O=C(CSCc1ccc(F)cc1)NNC(=O)c1ccccn1	27694204	CBSZXFUHMJSMOJ-UHFFFAOYSA-N	319.361	1.915	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)CC[C@H]2CCOC2)c1	176464007	JGPUIKMIXYWMBP-LBPRGKRZSA-N	305.378	1.330	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1C1CC1)c1cc(-c2ccccc2)n[nH]1	175857484	XQMFBAFDWSMTHN-CHWSQXEVSA-N	310.357	1.884	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cn1	26536473	PUVLPAUEVJJPMR-UHFFFAOYSA-N	324.340	1.575	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NCC2CC2)oc2c1C(=O)CCC2	68455334	HXDIMWJPFLCCGO-UHFFFAOYSA-N	305.334	1.461	50	20	DDGD	
CN(C)N(C(=O)c1cccc(F)c1F)[C@H]1CCS(=O)(=O)C1	76710677	WGQHIMPVYWJYMC-VIFPVBQESA-N	318.345	1.071	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCC2(O)CCCC2)cc(C#N)n1C	172206059	YOWNBBVZZYQSED-VGOFMYFVSA-N	312.373	1.533	50	20	DDGD	
CC1(C)CC(=O)C(=CNNC(=O)c2ccccc2F)C(=O)C1	60862768	KQOQJQAVEKQQEV-UHFFFAOYSA-N	304.321	1.902	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCn2ccnc2C1)c1cc2ccccc2o1	119293602	KMJLBJKHLVKDCG-GFCCVEGCSA-N	324.340	1.653	50	20	DDGD	
Cc1cccc2[nH]cc(CC(=O)NNC(=O)c3cnn(C)c3)c12	117679759	FMFIDDAGMRKKRL-UHFFFAOYSA-N	311.345	1.214	50	20	DDGD	
Cc1cc(NNC(=O)c2cccc(NC(=O)C3CC3)c2)ncn1	172272176	BPAFHTAORVUGPM-UHFFFAOYSA-N	311.345	1.890	50	20	DDGD	
C[C@@H](C[S@](C)=O)NS(=O)(=O)c1ccc(CCl)cc1	302491805	JDCQVRWSQCSMKO-XYZCENFISA-N	309.840	1.471	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C2(C#N)CCC2)cc1	119274376	LSTLYJYAKDTWLQ-UHFFFAOYSA-N	301.346	1.469	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(C)Cc1cccc(F)c1	111192812	HCMMAQFWHJCNEI-LBPRGKRZSA-N	309.385	1.840	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)Cc2ccccc2F)cn1	66784708	NAEDWHAUOMXLHN-UHFFFAOYSA-N	301.321	1.462	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2cc(F)c(F)c(F)c2)cn1	175513241	ASUKPISCYHSKDQ-UHFFFAOYSA-N	310.235	1.355	50	20	DDGD	
CN(C)[C@H](C(=O)NNc1ncnc2nc[nH]c12)c1ccccc1	173944402	YLCZYGZGXZVEMW-LBPRGKRZSA-N	311.349	1.099	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1ccc(N2CCCC2)nc1	123339909	ATSPNAWZIKGJPU-GXDHUFHOSA-N	301.346	1.778	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cnc(C)nc2C)n1	181900122	CNXCXRPDQWRDSA-UHFFFAOYSA-N	315.381	1.487	50	20	DDGD	
COc1cccc(NNC(=O)NC2CCN(C(C)C)CC2)n1	180827220	NHGHYGALEBUXJV-UHFFFAOYSA-N	307.398	1.589	50	20	DDGD	
CCCn1cc(C(=O)NNc2nc(-c3ccncc3)no2)cn1	182978411	OEMJBMAKJBHZMV-UHFFFAOYSA-N	313.321	1.495	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	73158307	OFYUSBAUQGENMT-UPJWGTAASA-N	323.780	1.738	50	20	DDGD	
Cc1cnccc1NC(=O)NNC(=O)Cc1ccccc1F	183448868	ONAOWYYJIBKGHY-UHFFFAOYSA-N	302.309	1.925	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNC(=O)c2ccc(CC)cc2)C1	121407971	QIORSAXVPKLZEG-CQSZACIVSA-N	317.389	1.269	50	20	DDGD	
C[S@@](=O)Cc1cccc(C(=O)NNC(=O)OC(C)(C)C)c1	73693551	DDSHEOLROSMUIY-NRFANRHFSA-N	312.391	1.735	50	20	DDGD	
C[C@H](CO[C@H]1CCOC1)NC(=O)NNc1cc(Cl)ccn1	181446385	BCEXMLNWNIDXGD-KOLCDFICSA-N	314.773	1.555	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NNc1ccccc1	185210801	LLVUNBIAYHFJKI-UHFFFAOYSA-N	314.301	1.985	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2)[C@H]2CCCC[C@H]12	182496843	OEXCPZJJVQQOSQ-BMFZPTHFSA-N	315.417	1.958	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2cnns2)c1C	48619017	LOQAACROFONGCF-UHFFFAOYSA-N	307.404	1.786	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1ccc(F)c(F)c1	78192303	BMNMVJQPJFQGAC-UHFFFAOYSA-N	320.295	1.943	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2cc(C)cc(F)c2)n1	181522815	BHDZNTOYYXCRFC-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccn(CCC(C)C)n1	133314320	BEPCYHHYDWOOLR-UHFFFAOYSA-N	319.369	1.876	50	20	DDGD	
CCN(CC)CCCNC(=O)NNC(=O)c1ccccc1C	43004753	DDYSFJMNDCYZFM-UHFFFAOYSA-N	306.410	1.671	50	20	DDGD	
O=C(CCOCC(F)F)NNC(=O)NCCc1cccs1	190176685	IUGQENKWECZESA-UHFFFAOYSA-N	321.349	1.293	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNC(=O)c2ccccc2O)cn1	48339481	LKNMXBFMFPWGFY-UHFFFAOYSA-N	302.334	1.419	50	20	DDGD	
O=C(CCSc1ccccn1)NNC(=O)c1ccncc1	132619339	UANNZYUBYUGTIY-UHFFFAOYSA-N	302.359	1.420	50	20	DDGD	
C[C@@H](OCc1ccccc1)C(=O)NNC(=S)N[C@H](C)C1CC1	83676246	AQPUZOANZVYLRY-VXGBXAGGSA-N	321.446	1.886	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)N[C@H]1COc2ccccc2C1	191190390	XLTPXVUGCQRMLW-GFCCVEGCSA-N	324.344	1.359	50	20	DDGD	
O=C(NNc1cnccn1)Nc1nnc(C(F)(F)F)s1	91991926	UUWYLKATHWMBHB-UHFFFAOYSA-N	305.245	1.496	50	20	DDGD	
O=C(COC(=O)/C=C\c1ccco1)NNC(=O)c1ccccc1	97657540	CYTVTPDQVRASCY-HJWRWDBZSA-N	314.297	1.297	50	20	DDGD	
O=C(C[C@@H]1CCCCO1)NNC(=O)c1ccc2c(c1)OCCO2	267969236	LCUDIALJSLEORI-LBPRGKRZSA-N	320.345	1.178	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)COc2cccc(C)c2)O1	268317394	JSYXYTBFGQKPAM-GXTWGEPZSA-N	306.362	1.479	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@H](C)c1ccccc1	267189823	OHYFNLOSLDMENX-VXGBXAGGSA-N	309.366	1.130	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C	268232040	SKNIIGUCOGMSKD-IINYFYTJSA-N	324.856	1.951	50	20	DDGD	
CO[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccccc1O	266806728	ORDIRUCGRSMANI-DGCLKSJQSA-N	307.350	1.294	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](C)Oc2ccc(F)cc2)n1	266878567	BSLQAZJBAZELHE-JTQLQIEISA-N	320.324	1.843	50	20	DDGD	
Cn1cc([C@@H]2C[C@H]2C(=O)NNc2ccc([N+](=O)[O-])cc2)cn1	362749688	BMCYUMJAZIJYTG-QWHCGFSZSA-N	301.306	1.575	50	20	DDGD	
Cc1cccc2c1N(C(=O)C(=O)NNC(=O)OC(C)(C)C)CC2	274263584	XTKKISWCCCVPPH-UHFFFAOYSA-N	319.361	1.440	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	274390950	IIPNKSDONXAPBJ-UHFFFAOYSA-N	315.717	1.946	50	20	DDGD	
O=C(COCC(F)(F)F)NNc1cccc(F)c1[N+](=O)[O-]	279471015	WQKJAHHYEZNWSS-UHFFFAOYSA-N	311.191	1.756	50	20	DDGD	
COc1ccc2cc(C(=O)NNC(=O)C(C)(C)O)c(C)nc2c1	276274028	OZDXALIBPOZQIG-UHFFFAOYSA-N	317.345	1.084	50	20	DDGD	
COc1ccc(COCCNC(=O)NNC(=O)C(C)(C)C)cc1	271575705	USHLHWIXIXXHOW-UHFFFAOYSA-N	323.393	1.588	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2cccc(-n3cncn3)c2)nn1	364596064	RKZLJEWMRFPZGB-UHFFFAOYSA-N	324.348	1.192	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cnn(C(C)(C)C)c2C)n1	279832111	QUJPBYRWXWFLMX-UHFFFAOYSA-N	315.377	1.725	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(C(=O)NC2CC2)cc1	277127320	PCFQRMOLNLNQQB-UHFFFAOYSA-N	319.365	1.277	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCc1cncnc1N	274373948	LJWXCMSMXHFVEJ-QMMMGPOBSA-N	301.188	1.485	50	20	DDGD	
C[C@H](C(=O)NNc1ncccn1)C1CN(C(=O)OC(C)(C)C)C1	274901093	PMLPVIDYUAURLO-JTQLQIEISA-N	321.381	1.423	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNC(=O)CNc1ccccc1	274266918	WHTROKBEBNBFDF-UHFFFAOYSA-N	313.361	1.221	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H](C(=O)NNC(=O)c2ccncc2)C1(C)C	275582459	ZIQKVRVIHCGZNL-JQWIXIFHSA-N	303.362	1.484	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)C1CCOCC1	270748844	ZYVSZLYEVCIRBF-UHFFFAOYSA-N	310.375	1.058	50	20	DDGD	
CCC(C)(C)N[C@H](C)C(=O)NNC(=O)COc1ccccc1O	274809600	SWCFLESODUMJGX-LLVKDONJSA-N	323.393	1.085	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	282700600	XSDSWIVBDBALGZ-YGOYTEALSA-N	307.306	1.169	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc(N2CCOC2=O)cc1	298423487	RNMRQLWACUEXFU-UHFFFAOYSA-N	305.334	1.450	50	20	DDGD	
Cc1[nH]c(C=NNC(=O)CCN2CCCCCC2)cc1C(=O)O	800808872	TVPIPOORRDPMLO-UHFFFAOYSA-N	320.393	1.738	50	20	DDGD	
O=C(NNc1cccc(F)n1)Nc1ccn(CC(F)F)n1	806330075	IVPDYJMJDYOWTD-UHFFFAOYSA-N	300.244	1.831	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2cc3c([nH]2)CCCC3)n1	294901556	HBPRNMYTKFGPKE-UHFFFAOYSA-N	306.757	1.676	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2c[nH]c(C)cc2=O)cc1	802061501	XQSUGTCIMYITKO-UHFFFAOYSA-N	316.317	1.158	50	20	DDGD	
O=C1COc2c(cccc2NS(=O)(=O)CCCCCl)N1	290431430	AWQJLTORNNAVNP-UHFFFAOYSA-N	318.782	1.778	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H]1OC[C@H]2COCC[C@@H]21	290437830	HOBCCFICGKBNAJ-OLUVUFQESA-N	323.301	1.560	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)[C@@H]1CCCO1)c1cn(C)c2ccccc12	294678791	PICGOHZTDUFSNM-ABAIWWIYSA-N	315.373	1.608	50	20	DDGD	
N#Cc1cc(O)cc(C(=O)NNC(=O)Cc2ccccc2F)c1	809673216	OBCNXKUOMCHPDS-UHFFFAOYSA-N	313.288	1.407	50	20	DDGD	
CC[C@H](NC(=O)NCCSSC)[C@H](O)C(F)(F)F	807229454	XZVQGCIQHKCWOT-BQBZGAKWSA-N	306.375	1.999	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccccc2OC(F)(F)F)n1	803126682	CQESGFOFMNLSHL-UHFFFAOYSA-N	301.228	1.471	50	20	DDGD	
NC(=O)N[C@H](CC(=O)NNc1ncccc1F)c1ccccc1	804213388	NHQSHLOMLZUMGZ-GFCCVEGCSA-N	317.324	1.464	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H]1C[C@H](C)CC(=O)N1)c1ccccc1	293571433	CLJHAJUNIBDFDJ-YUTCNCBUSA-N	317.389	1.242	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNc2cccnn2)cc1Cl	807013907	KSGWKEAOQZFLLR-UHFFFAOYSA-N	319.752	1.774	50	20	DDGD	
CCCc1noc2nc(CC)cc(C(=O)NNC(=O)C3CC3)c12	800313416	DLHVADQXPDCQKR-UHFFFAOYSA-N	316.361	1.909	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1cc(C(F)(F)F)ccn1	295325285	LISMKXIFFCTUIB-SECBINFHSA-N	321.299	1.985	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2ccc3nc(C)nn3c2)n1	809894367	BYRFBVBMYHVVMT-UHFFFAOYSA-N	312.337	1.593	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)c1cnn(CCF)c1	807049532	ZESIXEWWDXCZLL-UHFFFAOYSA-N	316.296	1.258	50	20	DDGD	
NC(=O)N1CCC(=NNC(=O)c2cc(Cl)ccc2O)CC1	812452332	FQLZIWZPPBNHGL-UHFFFAOYSA-N	310.741	1.306	50	20	DDGD	
CCOc1ccc(NNC(=O)Cn2ccc(C)cc2=O)cc1	817921473	YDMDMQZWSBJTJH-UHFFFAOYSA-N	301.346	1.699	50	20	DDGD	
O=C(CNC(=O)C1CC1)NNc1cc(Cl)nc(Cl)c1	819743970	YICONHWPLKQFTL-UHFFFAOYSA-N	303.149	1.358	50	20	DDGD	
O=C(NNC(=O)[C@H](F)C(F)(F)F)Nc1ccc2c(c1)OCO2	816597608	YNRWMCLGNRXPHO-QMMMGPOBSA-N	323.202	1.468	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NNc1ncncc1F	817081918	MAENSALVCVNZLX-SSDOTTSWSA-N	305.151	1.868	50	20	DDGD	
NC(=O)c1ccc(OCC(=O)NNc2cccc(Cl)n2)cc1	817006667	SQDHNCHOSAWEIR-UHFFFAOYSA-N	320.736	1.356	50	20	DDGD	
CN(C)CCc1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1	816823909	KAKZOVNGQUWUKA-UHFFFAOYSA-N	300.362	1.194	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Cc1c(C)nn(C(C)C)c1C	815506442	XUGPUAGFMCIRCJ-UHFFFAOYSA-N	318.381	1.116	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CC1CCN(C)CC1	813486213	ZBFAPKNIOTYYGX-UHFFFAOYSA-N	303.406	1.417	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCCC[C@H]1C	819933703	APOIPDRNWJGMAW-VXGBXAGGSA-N	300.399	1.749	50	20	DDGD	
CC(C)O[C@H](C(=O)NNC(=O)c1ccnnc1)c1ccccc1	817696089	NIRKHFGNCMUSQV-AWEZNQCLSA-N	314.345	1.404	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CCCN(c2ccccc2)C1=O	814365147	ACKJOWWSDIOPCL-ZDUSSCGKSA-N	303.362	1.233	50	20	DDGD	
O=C(NNC(=O)c1ccnnc1)c1ccc(OC2CCC2)cc1	817694262	WLAHOYAMXYKVPY-UHFFFAOYSA-N	312.329	1.483	50	20	DDGD	
CC1(C)CN(C(=O)/C(C#N)=C/c2ccc(O)cc2)C[C@@H](CO)O1	817626585	BQCIMOXNSCUNTR-COSNYCCFSA-N	316.357	1.297	50	20	DDGD	
N#Cc1ccc(NNC(=O)Cc2cccc(-c3nn[nH]n3)c2)cc1	826385960	JKVMQGIMVFDYPI-UHFFFAOYSA-N	319.328	1.424	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCSC(C)(C)C	825876517	HSRALFJZYMXYRE-VHSXEESVSA-N	303.428	1.274	50	20	DDGD	
COC(=O)Nc1cccc(NC(=O)NNC(=O)c2ccc[nH]2)c1	495171150	FRCHHAFCWYSJDQ-UHFFFAOYSA-N	317.305	1.660	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccnc(N2CCCCC2)n1	491465018	QHPVINJAGAIHQA-UHFFFAOYSA-N	321.381	1.636	50	20	DDGD	
CC(C)N1CCCN(C(=O)/C(C#N)=C/c2cnn(C)c2)CC1	491049576	NHSFTTFJYBATHV-OQLLNIDSSA-N	301.394	1.270	50	20	DDGD	
COCCCC(C)=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	821686906	FCOUVRBXZMMBNI-UHFFFAOYSA-N	302.338	1.399	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cc(C(F)(F)F)nn1C	826136088	ZWVSILDXHAOEKQ-UHFFFAOYSA-N	307.276	1.638	50	20	DDGD	
CCC(CC)N1C[C@H](C(=O)NNC(=O)NC2CCCC2)CC1=O	729348215	QBTNSXOIEKZWKW-LLVKDONJSA-N	324.425	1.297	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(C)nn1C1CCN(C)CC1	494365833	SQMOHTQBOBBJSJ-UHFFFAOYSA-N	324.385	1.241	50	20	DDGD	
CCc1nc(O)c(C(=O)NNC(=S)N[C@@H](C)C2CC2)cc1C	824446840	TVEINGSTDNJGME-VIFPVBQESA-N	322.434	1.565	50	20	DDGD	
O=C(CN1CCSCC1)NNC(=O)c1cccc(Cl)c1	728913295	SLBYXJFPNSIIDL-UHFFFAOYSA-N	313.810	1.150	50	20	DDGD	
O=C(CC[C@H]1CC1(Cl)Cl)NNC(=O)N1CCOCC1	824620876	CRSKTZCZZPJNMS-QMMMGPOBSA-N	310.181	1.033	50	20	DDGD	
CC(=NNC(=O)C(N)=O)c1csc(-c2csc(C)n2)c1	729141314	WSCHTUFBMGZROE-UHFFFAOYSA-N	308.388	1.506	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=C(C)[C@H](C)OC	497213186	HYYWDAOSDBXISW-NWDGAFQWSA-N	311.382	1.430	50	20	DDGD	
C[C@@H]1[C@H](NC(=O)c2cccc(B(O)O)c2)C[C@H]1c1ccccc1	584959712	KLBINAOVRJFQLJ-JCURWCKSSA-N	309.174	1.288	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1nncc2ccccc12	824437049	LDCZOMFJUCZJIJ-UHFFFAOYSA-N	315.402	1.539	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)/C=C\c2ccc(O)cc2)n1	492715341	ZANMLPOZJLCLDH-UTCJRWHESA-N	305.725	1.574	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)N[C@@H](C)C(F)(F)F	824391301	GMWCUGPFYWOMRF-ZETCQYMHSA-N	315.292	1.057	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](C)Oc2ccccn2)n1	826586233	UNTFOJXVPZOTPK-JTQLQIEISA-N	303.322	1.099	50	20	DDGD	
O=C(c1cc(Cl)ccc1OC(F)F)N1CC[C@@H](B(O)O)C1	585070636	BMBURBFDFOGIEI-SSDOTTSWSA-N	319.500	1.630	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCc1cccc(F)c1	825566765	OHFYDQQZZQWVLV-GXFFZTMASA-N	309.341	1.124	50	20	DDGD	
O=C(Nc1ccccc1)[C@@H]1CSCN1S(=O)(=O)CCl	829902492	HKMJTYXLKPEWDZ-JTQLQIEISA-N	320.823	1.526	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(CC(=O)NNc2cccnn2)C1	495050746	TVHUOBBPJGJGIZ-UHFFFAOYSA-N	307.354	1.177	50	20	DDGD	
COC(=O)c1cc(OC(=O)[C@H](C)n2cccn2)ccc1[N+](=O)[O-]	732652033	YLTKIHJYWZMNDF-VIFPVBQESA-N	319.273	1.745	50	20	DDGD	
CC(C)N1CCN(CCC(=O)NNc2cccc(F)n2)CC1	908170447	BSPCPPZPZRUMSV-UHFFFAOYSA-N	309.389	1.080	50	20	DDGD	
CCOc1cc(CNCc2cccc(B(O)O)c2)ccc1OC	585023099	GCGAINVVGXTEQF-UHFFFAOYSA-N	315.178	1.064	50	20	DDGD	
C[C@H]1C[C@@H]1c1ccc(CNC(=O)NNC(=O)c2cnn(C)c2)o1	735510542	NHWXGJUUMNZIAP-CABZTGNLSA-N	317.349	1.281	50	20	DDGD	
O=[N+]([O-])c1c(Br)cccc1N1CC[C@H](B(O)O)C1	900966330	SQLZRESJIPADTE-ZETCQYMHSA-N	314.932	1.410	50	20	DDGD	
CC[C@H](Cc1ccccc1)C(=O)NNC(=O)c1c[nH]nc1C	732766979	PNCHSVFFKRARLO-CYBMUJFWSA-N	300.362	1.748	50	20	DDGD	
CCN(C)c1ccccc1CNC(=O)NNc1ncccn1	730134732	GUWJWEZFNOEXIW-UHFFFAOYSA-N	300.366	1.759	50	20	DDGD	
CCc1[nH]nc(C(=O)NNc2ccc(F)cc2F)c1[N+](=O)[O-]	733361990	KYQZKFLORKTSLX-UHFFFAOYSA-N	311.248	1.915	50	20	DDGD	
CN1C[C@@H](C(=O)NCC(Cl)Cl)c2ccccc2C1=O	837646331	PXCFJYCKZRTJRA-SNVBAGLBSA-N	301.173	1.776	50	20	DDGD	
Cn1nnc2cc(NC(=O)NNC(=O)C3CCCC3)ccc21	831966723	VXLPYMFGMYJSCQ-UHFFFAOYSA-N	302.338	1.311	50	20	DDGD	
Cn1cc(C(=O)NN=C2CCCOc3ccc(F)cc32)cn1	735411029	IAEZGIWSNURZSE-UHFFFAOYSA-N	302.309	1.866	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNC(=O)C(C)(C)c1ccccc1	839670547	HJCCQJSCUHWSHO-CYBMUJFWSA-N	320.389	1.701	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H]1CCc1ccccc1	584933039	VGPGZLBTKPYOES-GOSISDBHSA-N	323.201	1.604	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=C2CCN(OC)CC2)o1	834950666	UNVAAJVIAFCOLC-UHFFFAOYSA-N	322.409	1.864	50	20	DDGD	
CC[C@@H](O)[C@@H](C)C(=O)NNc1cccc(Br)n1	909545331	DGEKQWIMPKWSHJ-HTQZYQBOSA-N	302.172	1.694	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](N2[C@@H](C)CC[C@H]2C)C1	735493600	YQJKSBMQJNQKDA-LJISPDSOSA-N	324.469	1.270	50	20	DDGD	
N#C/C(=C\c1ccc(C(=O)O)[nH]1)C(=O)NCCc1ccccc1	833064936	YJEDSVNOAZUBCQ-JLHYYAGUSA-N	309.325	1.979	50	20	DDGD	
COCC(COC)NC(=O)NNc1ccc(Cl)c(OC)c1	838675651	HTHJTLOCBUTTLQ-UHFFFAOYSA-N	317.773	1.636	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)c1c(C)nc2ccccn12	834922138	BLRLOBJOALPIPS-UHFFFAOYSA-N	311.349	1.326	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@@H]2CSC[C@@H]2C)cc1	836454586	VCOBMUNVBXIGJS-JOYOIKCWSA-N	324.406	1.782	50	20	DDGD	
COCC1CCC(=NNC(=O)CNC(=O)c2ccco2)CC1	834952218	FVNGNXOFHGCQES-UHFFFAOYSA-N	307.350	1.318	50	20	DDGD	
C=COc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	831860220	MGPCGORLLWEISW-GXFFZTMASA-N	305.334	1.787	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CSCC(=O)O)c1ccccc1	739215223	VZDGMIMUOHMZHD-NSHDSACASA-N	310.375	1.145	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)C1(S(C)(=O)=O)CC1	836937054	SXMSJCNMJVIGAF-UHFFFAOYSA-N	302.783	1.669	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccc(C#N)cc1)C1CC(C)(C)C1	839619339	MVSMRWYZXPRREK-UHFFFAOYSA-N	314.389	1.440	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1)c1nccs1	732622132	MTVIMERZNHFZNX-SDDRHHMPSA-N	324.450	1.729	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCCO1)c1cnnn1-c1ccccc1	834985813	KNWBWNAGBPWBFY-HNNXBMFYSA-N	313.361	1.677	50	20	DDGD	
COc1cccc2c1OCC[C@@H]2NC(=O)NNC(=O)C1CCC1	732244698	JISFMILMQNYGML-LBPRGKRZSA-N	319.361	1.649	50	20	DDGD	
C=C(CBr)CN1CCc2[nH]nc(C(=O)OC)c2C1	832001641	RNFURVRCKXPBGF-UHFFFAOYSA-N	314.183	1.506	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21	743448130	ZRHBUPGVIRCMFJ-HKWIRBFKSA-N	316.361	1.359	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCC[C@@H]1CCOC1	836191449	FLVJIPZLRVTZPQ-CYBMUJFWSA-N	305.378	1.756	50	20	DDGD	
CC1(C)CC=C(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1	836574240	UOMBONZOLMCPQG-UHFFFAOYSA-N	319.361	1.293	50	20	DDGD	
C[C@@H]1OCCC1=NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	747764753	RTLKWQIKPYNYJF-VIFPVBQESA-N	311.363	1.376	50	20	DDGD	
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NNC(=O)c1cc(C)cs1	912977886	NFUULBVGASHJKL-WDEREUQCSA-N	324.402	1.797	50	20	DDGD	
Cc1noc2ncc(C(=O)NNC(=O)CC(F)(F)F)cc12	918399586	MLRBXRROIPBZFY-UHFFFAOYSA-N	302.212	1.245	50	20	DDGD	
CC(=NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1ccc(C(=O)O)c(F)c1	844607806	AAPXOTKDVAEFND-MPKXVKKWSA-N	320.320	1.932	50	20	DDGD	
CCCN(CC(=O)NNC(=O)Cc1ccccc1C)C(C)C	847023353	CPVCDQXSPJPBOP-UHFFFAOYSA-N	305.422	1.805	50	20	DDGD	
COC(=O)c1cc(NNC(=O)N[C@@H]2CCC[C@H](N)C2)ccc1F	841981074	PSCRVZKRPCLWJC-VHSXEESVSA-N	324.356	1.508	50	20	DDGD	
COc1ccc(NNC(=O)C[C@H](C)n2ccnc2)c([N+](=O)[O-])c1	845831654	JMKHMMIONZMYJG-JTQLQIEISA-N	319.321	1.894	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1Cl	843654487	FYICYCOKPYJTPI-JGVFFNPUSA-N	302.783	1.896	50	20	DDGD	
CCOc1cc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)ccc1OC	842557535	PPXIRZHWMQYTSJ-DGCLKSJQSA-N	306.362	1.969	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Cn1cc2ccccc2n1	748012737	MOZRAQHNOITQFL-UHFFFAOYSA-N	308.341	1.806	50	20	DDGD	
CCC(CC)n1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n1	843663196	WAQXMTPOVUZYEH-PWSUYJOCSA-N	308.382	1.430	50	20	DDGD	
Cc1ccc2c(CCC(=O)NNC(=O)CN(C)C)c[nH]c2c1	745992074	ADLKATVFQVBQBG-UHFFFAOYSA-N	302.378	1.118	50	20	DDGD	
CN(C)N(C(=O)C1CC2(CCC2)C1)[C@H]1CCS(=O)(=O)C1	843520289	WTOWMDYUWJEGSI-LBPRGKRZSA-N	300.424	1.059	50	20	DDGD	
O=C(NN=Cc1cnc(-c2ccccc2)nc1)C(=O)N1CCCC1	748136509	MCDIOCLANKGYIT-UHFFFAOYSA-N	323.356	1.216	50	20	DDGD	
N#C[C@@H]1CNC[C@@H]1NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	846677299	LEURYZKLNHAVBP-VGDATSSVSA-N	312.211	1.168	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1(Cc2ccc(F)cc2)CC1	843653422	BYAFALIXZSIGQY-FZMZJTMJSA-N	320.364	1.721	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@H]1CCc2cncn2C1	844138664	TTZKBPQLBOEYFU-JTQLQIEISA-N	301.306	1.497	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@H]2CC[C@H](CN)CC2)n1	841997876	VCZMYFJSMHEFDC-JOCQHMNTSA-N	306.414	1.485	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(F)c(F)cc1F)[C@H](C)S(C)(=O)=O	841409281	RRXXZALQUVPTEW-RQJHMYQMSA-N	324.324	1.616	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(OC(F)F)cc1	843648702	RBVZFXUIBKGEER-LDYMZIIASA-N	314.288	1.474	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1	916607684	LISNSDLKJDCYLP-HNNXBMFYSA-N	318.421	1.637	50	20	DDGD	
CC(=NNC(=O)NCC1CC1)c1ccc(NS(C)(=O)=O)cc1	747049815	WDSPTTGERYDSQJ-UHFFFAOYSA-N	324.406	1.491	50	20	DDGD	
CC(=NNC(=O)c1ccc(-n2cnnn2)cc1)c1cccc(F)c1	916352606	YWYVLOUQFJRWHA-UHFFFAOYSA-N	324.319	1.955	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1ccc(N2CCCC2)nc1	842551153	CDLBIAIFDSDCCC-GXTWGEPZSA-N	302.378	1.557	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F	910144713	LGEFDAHSUAXMRY-ZETCQYMHSA-N	321.255	1.571	50	20	DDGD	
CCn1nncc1C=NNC(=O)COc1cc(C)cc(C)c1	841606887	NIGFGIPZJRAMFR-UHFFFAOYSA-N	301.350	1.444	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@@H](C)n2ccnc2)nc1	845889636	WQALGFUBTSQUQG-SNVBAGLBSA-N	303.322	1.159	50	20	DDGD	
C[C@H]1OC(=O)N[C@H]1C(=O)NNc1ccc(OC(F)(F)F)cc1	841408321	JSKZEGKCTMTKNX-HZGVNTEJSA-N	319.239	1.525	50	20	DDGD	
C=CCn1cc(C(=O)NNC(=O)[C@H](CC)c2ccccc2)nn1	843546550	GIUTWWLHFUNIGA-CYBMUJFWSA-N	313.361	1.419	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1cccc(O[C@@H](C)CC)c1	849304057	MQNRXUQPAJPOND-JTQLQIEISA-N	316.379	1.803	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@H](C)NC(=O)NNC(=O)Cc1cccnc1	840419628	XPWRZFRMBPQSAM-MEDUHNTESA-N	320.393	1.158	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@@H](CC(C)C)OC	842225412	UZJMLWLAHHGVOW-CQSZACIVSA-N	323.393	1.316	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=S)Nc1ccc(F)cc1F	747670125	DJKNYBGLAGAXEC-UHFFFAOYSA-N	322.340	1.920	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCOC2CCCC2)n1	746757996	SNRWZGNLAFHFFY-UHFFFAOYSA-N	309.370	1.379	50	20	DDGD	
O=C(NNc1cccnc1Cl)[C@@H]1CCCS(=O)(=O)C1	846258766	VZBJRMLAGYEMKX-MRVPVSSYSA-N	303.771	1.003	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(-c2ccco2)on1	843971291	BVBLLEMYZBLFND-DTWKUNHWSA-N	305.290	1.121	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=Cc1cc(F)cc(F)c1	755678457	HJRWDDWYVWOHCV-UHFFFAOYSA-N	323.324	1.906	50	20	DDGD	
CCn1ccc(CC(=O)NC[C@@]2(C)C[C@@H]2Br)n1	857385425	HVZGEEGFBZYUOU-CMPLNLGQSA-N	300.200	1.735	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@@H]1[C@@H](C)[C@@H](OC)C1(CC)CC	759604975	NLKBOCDZXJBTTJ-ZMJPVWNMSA-N	313.442	1.362	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COCc2ccccc2C)o1	857146942	FSGUEPCBWCUXIY-UHFFFAOYSA-N	302.330	1.874	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)C(F)(F)C1(O)CCCC1)C1CC1	855099810	OEOWLGHJNOFPNH-QMMMGPOBSA-N	321.393	1.221	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@]12CCCc1ccccc12)c1cc[nH]n1	855357832	QXCGCVXDZZXGRR-CXAGYDPISA-N	310.357	1.465	50	20	DDGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1[C@H]2CC[C@H]1CC(=O)NC2	750058908	ZPXBNFHMORIWKA-SVKQYBJESA-N	312.329	1.812	50	20	DDGD	
O=C(Cn1ccccc1=O)OC[C@@H](CBr)C1CC1	859475472	QVIOVWGCUNOQAL-LLVKDONJSA-N	314.179	1.813	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)[C@@H]1CCCN1C1CCCC1	857357130	HWRQWVMUTRSGRJ-LBPRGKRZSA-N	309.801	1.980	50	20	DDGD	
CO[C@@H]1Cc2ccc(NC(=O)NNC(=O)C3CCC3)cc2C1	752967446	ICBLLVLMDIRRMM-CQSZACIVSA-N	303.362	1.753	50	20	DDGD	
O=C(NNc1cc(F)cc(Cl)c1)C1(C(=O)NC2CC2)CC1	855619232	DYVXSDJZOAFKGC-UHFFFAOYSA-N	311.744	1.981	50	20	DDGD	
Cn1c(SCC(=O)NN=Cc2cc[nH]n2)nc2ccccc21	755775974	VRCRHJQKHKVZFF-UHFFFAOYSA-N	314.374	1.539	50	20	DDGD	
CCC(=NNC(=O)COc1ccc(F)cc1)c1ccn(C)n1	758086461	YIGFYXXRABTASC-UHFFFAOYSA-N	304.325	1.869	50	20	DDGD	
Cc1csc(C=NNC(=O)CCCNC(=O)C(C)(C)C)n1	853407153	HPZHHIYNBYOLCC-UHFFFAOYSA-N	310.423	1.844	50	20	DDGD	
Cn1ccc(CCNC(=O)NC[C@@]2(C)C[C@@H]2Br)n1	856849971	VBOIFGDAWKOKLC-CMPLNLGQSA-N	315.215	1.435	50	20	DDGD	
Cc1cc(CNC(=O)NC[C@@]2(C)C[C@@H]2Br)n(C)n1	856856217	QRTMZEPSDIOUJK-CMPLNLGQSA-N	315.215	1.701	50	20	DDGD	
CN(C)c1ccnc(CNS(=O)(=O)CC(C)(C)CCl)c1	921017161	DXEDHOGYQMQDLO-UHFFFAOYSA-N	319.858	1.832	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)N1CC[C@H]2C[C@H]2C1	852030301	DORWOGWLIDCQEZ-STQMWFEESA-N	303.362	1.538	50	20	DDGD	
O=C(NNC(=O)c1cnc2n1CCCCC2)c1ccccc1O	856762557	UAMFTTYSZHUWCN-UHFFFAOYSA-N	314.345	1.390	50	20	DDGD	
C[C@@H]1NCCN(C(=O)NC[C@]2(C)C[C@@H]2Br)[C@H]1C	857105647	OWJWGYIFWXRKAV-GMOBBJLQSA-N	304.232	1.552	50	20	DDGD	
COc1ccc(CCC(=O)NN=C(C)Cn2cncn2)cc1	853291603	GBKWJEPJDBDUEX-UHFFFAOYSA-N	301.350	1.412	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NN=CCC(F)(F)F	853373686	KGTHJMBKIVFNNH-NXEZZACHSA-N	318.299	1.942	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)c1ccc(OC)c(OC)c1	751540311	GJSPAVNEFGDLOZ-SNVBAGLBSA-N	310.350	1.280	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1nc[nH]c1C(F)(F)F	855092344	ASNBISXVQAQPKA-UHFFFAOYSA-N	321.328	1.338	50	20	DDGD	
O=C1CCCN1C[C@H]1CCN(CCI)C1	852679914	GWCUVTYWJVIZPR-JTQLQIEISA-N	322.190	1.366	50	20	DDGD	
Cc1ccc(OCCCC(=O)NNc2cnnn2C)c(C)c1	857274092	ZRTYPSWVIXACIX-UHFFFAOYSA-N	303.366	1.734	50	20	DDGD	
C[C@@]1(CNC(=O)NCC2(CC(N)=O)CC2)C[C@@H]1Br	856864888	NCGXGOPLBYPWEI-KWQFWETISA-N	318.215	1.115	50	20	DDGD	
Cc1ccccc1[C@@H]1CCN(C(=O)NNC(=O)c2cn[nH]c2)C1	858703922	JIPHLHSJNZDCOG-GFCCVEGCSA-N	313.361	1.562	50	20	DDGD	
COc1ccc(OCC(=O)NNc2cc(Cl)nc(N)n2)cc1	753450741	WVCAWILERGAPNV-UHFFFAOYSA-N	323.740	1.243	50	20	DDGD	
CN(C)C(=O)NN=Cc1cn(-c2ccc(F)cc2Cl)nn1	755673850	UWHGWNAWGRRUEI-UHFFFAOYSA-N	310.720	1.665	50	20	DDGD	
CNC[C@@H]1C[C@H](F)CN1S(=O)(=O)CC(C)(C)CCl	866762861	DVOCGBBZVGMWNO-UWVGGRQHSA-N	300.827	1.213	50	20	DDGD	
CNc1nc(C(=O)NNc2oc(C(C)C)nc2C#N)cs1	762231195	AKFLQHVEIBCTSK-UHFFFAOYSA-N	306.351	1.925	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNc2nc(-c3ccncc3)no2)CCC1=O	764103739	XUQITMOSQBABGL-KOLCDFICSA-N	315.333	1.580	50	20	DDGD	
Cc1cc(=NNC(=O)c2cnc([C@@H]3CCCO3)s2)cc[nH]1	862514551	QHNWQDIXTFOLMS-NSHDSACASA-N	304.375	1.877	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1NC(=O)NNc1cnccn1	769918328	BUTZOAXLMYBSMY-UHFFFAOYSA-N	304.266	1.542	50	20	DDGD	
COCCOCC(=O)NNC(=O)C[C@H](c1ccccc1)C(C)C	869909295	PVARLVYEXJCLJL-HNNXBMFYSA-N	322.405	1.627	50	20	DDGD	
Cc1cnc(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)s1	765459847	DCIQCEQPKBJYBQ-UHFFFAOYSA-N	320.330	1.363	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c(O)c1	863859588	KLNSXIBAYRPWOU-PUHVVEEASA-N	306.362	1.521	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)c1csnn1	762409580	QLVCMAHXIVNVEE-UHFFFAOYSA-N	324.387	1.100	50	20	DDGD	
O=C(CCCCCc1ccc(O)cc1)NNC(=O)c1cn[nH]c1	863934955	JLLSYPLGLMYLOA-UHFFFAOYSA-N	316.361	1.679	50	20	DDGD	
Cc1noc2ncc(C(=O)NNCC(F)(F)C(F)(F)F)cc12	863091583	LKUJQGAGXUUCEO-UHFFFAOYSA-N	324.209	1.963	50	20	DDGD	
C[C@H](NNC(=O)C[C@@H](NC(N)=O)c1ccccc1)C(F)(F)F	862307063	SLXPDOVLYOSBIS-WCBMZHEXSA-N	318.299	1.358	50	20	DDGD	
CCSc1cccc(C=NNC(=O)C(=O)N2CCCC2)c1	769780464	QEAFRZQMLKEQMG-UHFFFAOYSA-N	305.403	1.871	50	20	DDGD	
CC[C@](C)(CNC(=O)NNC(=O)c1ccc(OC)cc1)OC	1117862950	BZSAEBFVAPTFHS-OAHLLOKOSA-N	309.366	1.454	50	20	DDGD	
Cc1nccnc1CCNS(=O)(=O)CC(C)(C)CCl	867311298	NRRPJGSXPKXGDJ-UHFFFAOYSA-N	305.831	1.512	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21)C1CC1	862150665	XACGAHLDXZIPFQ-FESTWEEDSA-N	315.442	1.866	50	20	DDGD	
Cc1csc(CCC(=O)NNC(=O)NCC(F)(F)F)n1	768204645	VUNHGQVKBSVQKB-UHFFFAOYSA-N	310.301	1.277	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNC(=O)c1nc2ccccc2s1	874913530	NQVITUUGPBBMNO-NSHDSACASA-N	318.402	1.542	50	20	DDGD	
COCCOc1ccc(NC(=O)NNc2ncc(F)cn2)cn1	760309992	OXJRLQCYJQTVSQ-UHFFFAOYSA-N	322.300	1.185	50	20	DDGD	
COCCOc1ccccc1CNC(=O)NN(C)C(=O)OC	875135124	QONWBLXNPLUCKN-UHFFFAOYSA-N	311.338	1.124	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC(c2ncc(C)s2)CC1	763953218	SZRPDDCPIGPMGO-NSHDSACASA-N	324.450	1.577	50	20	DDGD	
C[C@H]1C[C@@H](CNC(=O)NNc2nncc(N)c2Cl)CCO1	1116452608	UGQVKZRRSPVGJE-YUMQZZPRSA-N	314.777	1.153	50	20	DDGD	
CS(C)(=O)=Nc1cccc(NC(=O)NNC(=O)CC2CC2)c1	879865990	NLHCVTIENWGIKW-UHFFFAOYSA-N	324.406	1.999	50	20	DDGD	
CC(C)NC(=O)NN=Cc1ccc(N2CCN(C)CC2)cc1	771564551	WWMUIBZHLPGEMI-UHFFFAOYSA-N	303.410	1.480	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2ccc(Cl)cc2F)CC1	778837154	HKELXONRRMWMBT-UHFFFAOYSA-N	300.717	1.667	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H]2CCC[C@H]2CCO)c1	875516675	XGXSXGRLLZCELC-QWRGUYRKSA-N	311.407	1.552	50	20	DDGD	
CC1(OCC(=O)NNC(=O)Cc2ccc(Cl)cc2)CCC1	773258167	RTUIRZULRJJYTG-UHFFFAOYSA-N	310.781	1.989	50	20	DDGD	
COCCOCC(=O)NN=Cc1cc(OC)c2ccccc2c1	872400071	NFFYDZCDDIKKGT-UHFFFAOYSA-N	316.357	1.962	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)C1(O)CCOCC1	773484504	YFXJCAGVCPJYQV-UHFFFAOYSA-N	322.258	1.829	50	20	DDGD	
O=C(NCc1ccco1)NN=Cc1ccc(O)c(C(=O)O)c1	777432863	NETSGXVWQSBKLR-UHFFFAOYSA-N	303.274	1.517	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)[C@@H]3CCCC3(C)C)nc21	772991593	AIDRZNHLDFMKEC-VIFPVBQESA-N	304.354	1.338	50	20	DDGD	
N#Cc1ccc(NNC(=O)NC[C@H]2CCCCN2C2CC2)nc1	888893428	DIBGROZPDHVPBX-CQSZACIVSA-N	314.393	1.596	50	20	DDGD	
COc1cc(C)c(C(=O)NNC(=O)C2CCOCC2)cc1OC	883065778	VSDAMIQDWPWLGU-UHFFFAOYSA-N	322.361	1.200	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@H]1CCc2c(Cl)cccc21	775681030	AEAQXBJZUUMLPN-LBPRGKRZSA-N	323.780	1.443	50	20	DDGD	
CC[C@@H](C(=O)OC[C@H](C)CBr)N1CCCC1=O	770389182	CPUOTFOZXVAVDS-ZJUUUORDSA-N	306.200	1.962	50	20	DDGD	
O=C(COC[C@@H]1CCCO1)NNc1ccc(F)c([N+](=O)[O-])c1	771596317	WEUWCSOSXJKGDS-JTQLQIEISA-N	313.285	1.373	50	20	DDGD	
CC1(C)CCN(C(=O)NNC(=O)c2cccnn2)CCS1	883852791	VUYYIHFUGMBOCO-UHFFFAOYSA-N	309.395	1.049	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C/C=C/c1cccc(F)c1	884402372	REODNROLMFZQGJ-OLBDSKFLSA-N	319.380	1.909	50	20	DDGD	
NCCCc1cn([C@]2(Cl)C[C@@H]2CCBr)nn1	881381538	BNWRRGFIMHDZJW-WCBMZHEXSA-N	307.623	1.866	50	20	DDGD	
N#CCOc1cccc(CC(=O)NNc2ncncc2Cl)c1	781831929	SBEQNFYEJUQDNX-UHFFFAOYSA-N	317.736	1.718	50	20	DDGD	
CN1C(=O)CC[C@H]1C(=O)NNC(=O)c1ccc2ccccc2c1	785341415	DMFBDBMUVFPTCD-AWEZNQCLSA-N	311.341	1.222	50	20	DDGD	
CN[C@@H](CC(C)C)C(=O)NNc1ncc(Br)cn1	884390669	CJCLLKOTQKWWRR-VIFPVBQESA-N	316.203	1.316	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNC(=O)C2CCOCC2)cc1	883070642	YAFBJYPLCKGCHO-UHFFFAOYSA-N	320.345	1.051	50	20	DDGD	
Cc1nn(C)c(C)c1OCC(=O)NNc1ncncc1Cl	781824706	GHYNOIBESDYMQO-UHFFFAOYSA-N	310.745	1.002	50	20	DDGD	
CCc1nn(C)cc1NC(=O)C(=O)NNc1ccc(Cl)cc1	783338117	RVZKZWBDPUXKIG-UHFFFAOYSA-N	321.768	1.718	50	20	DDGD	
Cc1cccc(S(=O)(=O)NNC(=O)NC2CCCC2)c1F	781559786	SDSNKEWXTXVIAP-UHFFFAOYSA-N	315.370	1.569	50	20	DDGD	
O=C(NNc1cccc2cnccc12)c1cccn2c(O)nnc12	780992777	DKZQYBAFDLKTCV-UHFFFAOYSA-N	320.312	1.740	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2F)CO1	784131499	UCPMZHBYQYRDGV-HTQZYQBOSA-N	300.717	1.665	50	20	DDGD	
CNC(=O)NNC(=O)c1cn(C)nc1-c1ccc(Cl)s1	789743663	JERTWGHKTIMPOT-UHFFFAOYSA-N	313.770	1.376	50	20	DDGD	
CO[C@@]1(C(=O)NNC(=O)c2ccc(Cl)nc2)CCSC1	895752801	LUFPOYSFBNAMRQ-LBPRGKRZSA-N	315.782	1.018	50	20	DDGD	
CC1(C)CCN(CC(=O)NNC(=O)C(C)(C)C)CCS1	789340968	OFFMWZAYZPWESH-UHFFFAOYSA-N	301.456	1.397	50	20	DDGD	
C[C@@H]1CCN(Cc2ccccc2)CC1=NNC(=O)C(C)(C)O	785466070	LWSJHLQXYQWJTP-CYBMUJFWSA-N	303.406	1.772	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2cnc(C)n2C)c1	899940055	FLQWHVSAXKFBAZ-UHFFFAOYSA-N	316.361	1.185	50	20	DDGD	
CCC[C@H](C)N1C[C@@H](C(=O)NNc2ccc(C#N)cn2)CC1=O	899664108	QWFFYCLSLWALQZ-AAEUAGOBSA-N	315.377	1.433	50	20	DDGD	
N[C@H]1C[C@@H](CNC(=O)NNc2ccccc2OC(F)(F)F)C1	892555280	IBUSFLDSRYKYIC-DTORHVGOSA-N	318.299	1.949	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)CCC=C2)C(=O)N1CCCC1	791036068	XEBAUKMMIXUHTP-UHFFFAOYSA-N	313.357	1.029	50	20	DDGD	
CSSCCNC(=O)N1CCN(c2ccncc2)CC1	790880506	MELAWHWMNGXBSP-UHFFFAOYSA-N	312.464	1.924	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H](O)C(C)(C)C)cc1	792802222	GSNZZXQNLYDLJK-CQSZACIVSA-N	308.378	1.182	50	20	DDGD	
C[C@H](CNC(=O)NNc1cccnn1)NC(=O)OC(C)(C)C	792263513	ZKDCAGNKLVICAC-SECBINFHSA-N	310.358	1.016	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@H]1CCOc2ccccc21	899995007	DMILKCXSNHBJGG-NSHDSACASA-N	307.419	1.847	50	20	DDGD	
CC(=NNC(=O)Cc1cn2ccccc2n1)c1ccnc(O)c1	790294480	QIOMAVGXQCKJIF-UHFFFAOYSA-N	309.329	1.518	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)c2c(C)nc3ccccn23)cn1	794621999	USEPWWHXBWNSTR-UHFFFAOYSA-N	324.344	1.154	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cccc(C)n2)c1	794081521	IFIGSQJZCWCPSI-CYBMUJFWSA-N	313.357	1.927	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1csc(O)n1	792031777	ZVOFMZVOJJDJRF-UHFFFAOYSA-N	302.315	1.405	50	20	DDGD	
CCOc1c(Cl)cc(/C=C(\C#N)S(N)(=O)=O)cc1OC	799893906	LYBSIVCUBLNTPS-RUDMXATFSA-N	316.766	1.900	50	20	DDGD	
Cc1c[nH]nc1C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1	799421759	QETKVBIRUMVZNT-UHFFFAOYSA-N	316.346	1.245	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C1(CCOC)CCC1	790063477	KLGMHIYZWJVSTJ-UHFFFAOYSA-N	316.398	1.130	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc(C2CC2)cnc1Cl	793207780	RHVLODQJKSCKST-UHFFFAOYSA-N	308.769	1.966	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1ccc(OC)cc1)[C@@H]1CCCO1	1319599612	IXWRONDJFFGYMS-KGLIPLIRSA-N	321.377	1.597	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)[C@H](C)c2nc(C)no2)n1	1327710512	HBMNLDDXGSTGOW-SECBINFHSA-N	318.337	1.129	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)c1n[nH]c2c1CCCC2	1325939998	ADTUFHAVYWKDCF-JTQLQIEISA-N	303.366	1.063	50	20	DDGD	
COc1ccc(C(=O)NN=C[C@H](OC)C2CCOCC2)cc1	1324551468	RQFHVZZETSKKJI-HNNXBMFYSA-N	306.362	1.852	50	20	DDGD	
CCC1(CNC(=O)NNc2ccc(C(C)(C)C)nn2)COC1	1328136378	LNVHRPSFHDKAMC-UHFFFAOYSA-N	307.398	1.827	50	20	DDGD	
CC1=NO[C@H](CNC(=O)NNC(=O)c2ccccc2Cl)C1	1336693034	UOTRMQHILRFDAD-VIFPVBQESA-N	310.741	1.449	50	20	DDGD	
CCOC(=O)C[C@H]1CCCN1S(=O)(=O)CBr	1338402455	BPUIKKUEWQUBSO-MRVPVSSYSA-N	314.201	1.086	50	20	DDGD	
N#CC1=CCN(C(=O)Cc2csc(N3CCOCC3)n2)CC1	1412691167	MNHYTYDLPQUUTG-UHFFFAOYSA-N	318.402	1.204	50	20	DDGD	
COC1(OC)CC(CNC(=O)[C@]2(C)C[C@H]2Br)C1	1336834420	FYSVAEJHQUGACM-MWLCHTKSSA-N	306.200	1.675	50	20	DDGD	
CCO/C=C(\C#N)c1nnc(-c2ccc(-n3cnnn3)cc2)o1	1261425519	BEAACYIZWNCOBM-DHZHZOJOSA-N	309.289	1.613	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)c1O	1347792695	CJNSUUZMARCSKX-SCVCMEIPSA-N	304.346	1.598	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1CCCCN1C(=O)CC(C)C	1346735596	REBBZJYJLOKNDB-LBPRGKRZSA-N	312.414	1.106	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCC(C)(C)OC)cc1	1352786918	XSDZPIQMUXBVRP-UHFFFAOYSA-N	309.366	1.454	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(F)c(C(=O)O)c1)[C@@H]1CCOC1	1609767562	HNMMCXFGKYENOB-RKDXNWHRSA-N	311.313	1.575	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)C12CC(C(=O)O)(C1)C2	1606622023	KZMSXPMFPJUIFB-UHFFFAOYSA-N	304.302	1.171	50	20	DDGD	
Cn1cncc1CNC(=O)NNc1cccc(C(=O)O)c1F	1608136687	FYWDRMVPXRTXPN-UHFFFAOYSA-N	307.285	1.084	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cnn3ccccc23)cc1F	1608904967	RXXONEHPVDYZHV-UHFFFAOYSA-N	314.276	1.929	50	20	DDGD	
Cc1c(NNC(=O)c2ccc(CO)cc2)cccc1C(=O)O	1600054262	QKVCPCFIQXUQIK-UHFFFAOYSA-N	300.314	1.942	50	20	DDGD	
O=C(O)CC1CCC(=NNC(=O)C(=O)Nc2ccccn2)CC1	1601946005	NCGASFVKZJIBRN-UHFFFAOYSA-N	318.333	1.157	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)[C@H]1CCc2c[nH]nc2C1	1602471336	GXJNSPMNSJSZRB-VIFPVBQESA-N	300.318	1.356	50	20	DDGD	
COC1(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)CCCCC1	1605013584	JJKAPLNAHIPOAF-UHFFFAOYSA-N	317.353	1.054	50	20	DDGD	
O=C(NNc1ccccc1F)C(=O)Nc1cccc(C(=O)O)c1	1601561641	SFTJIARNOQUQMX-UHFFFAOYSA-N	317.276	1.606	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2CCCC23OCCO3)c(F)c1	1610835452	IEPAOMFVAAKDFB-SNVBAGLBSA-N	324.308	1.510	50	20	DDGD	
O=C(O)CCc1ccc(NC(=O)NNc2ncncc2F)cc1	1610778927	WQBPBSKAFFPWLC-UHFFFAOYSA-N	319.296	1.782	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@@H]2C=NNC(=O)c2ncccn2)cn1	1552454872	RHKJOUWWKZQKIZ-DGCLKSJQSA-N	314.349	1.186	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@@H]1CC[C@@H](C2CC2)N1	1580743284	XNJUGHYNCXDBLW-STQMWFEESA-N	301.394	1.718	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)CC(C)(C)O)C1	1842782874	XIJFXCORLKIQGL-LLVKDONJSA-N	316.829	1.368	50	20	DDGD	
CCc1nc(CNC(=O)NNc2ccc(C(=O)O)c(F)c2)co1	1597669688	CYBIBRRPNGETBH-UHFFFAOYSA-N	322.296	1.901	50	20	DDGD	
CCc1nc(CNC(=O)NNc2ccc(F)c(C(=O)O)c2)co1	1597670345	YIXOPVUIZROQFS-UHFFFAOYSA-N	322.296	1.901	50	20	DDGD	
COc1ncccc1NC(=O)NNc1cccc(C(=O)O)c1	1599737337	GAWSHYTZGCSSPJ-UHFFFAOYSA-N	302.290	1.937	50	20	DDGD	
CCOC(=O)CC(C)(C)CC(=O)NNc1ccc(C(=O)O)cn1	1596587197	BMCZDYLAUIRLIQ-UHFFFAOYSA-N	323.349	1.592	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)Nc1cccc(C(=O)O)n1	1592040050	XXXNIAVXEYEYGX-UHFFFAOYSA-N	316.321	1.842	50	20	DDGD	
COc1nccc(C(=O)NNc2ccc(C(=O)O)cc2F)n1	1599735249	RVZHGNLWZJTNOI-UHFFFAOYSA-N	306.253	1.079	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NN=Cc1sccc1C(=O)O	1776098534	OKEFAPKYBRDMJJ-JTQLQIEISA-N	309.391	1.769	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2sccc2C(=O)O)cs1	1776029102	OSRFUCKGGIJNFI-UHFFFAOYSA-N	309.372	1.904	50	20	DDGD	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)c1ccncc1	15273156	QLJUAMGKOMVNAJ-LLVKDONJSA-N	310.313	1.182	50	20	DDGD	
O=C(CC1CCCC1)NCC(=O)NNc1ccccc1[N+](=O)[O-]	158902361	SJHMAGJMGCSYMA-UHFFFAOYSA-N	320.349	1.734	50	20	DDGD	
CCc1oc2ccccc2c1C(=O)NNC(=O)C(=O)NC1CC1	160283632	YOEKUSYRGVZBQA-UHFFFAOYSA-N	315.329	1.035	50	20	DDGD	
CCCCNC(=O)NNC(=O)CSc1nc2ccccc2[nH]1	160317918	ZYQCXORKUXNLAX-UHFFFAOYSA-N	321.406	1.786	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ccc(C(F)(F)F)cc1	153610186	UAFSBZSXLSAVPL-VHSXEESVSA-N	302.252	1.958	50	20	DDGD	
Cc1nnc(NC(=O)NNc2cnc3ccccc3n2)s1	153717216	BSKRHFUGXPSVBP-UHFFFAOYSA-N	301.335	1.938	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccccc2-n2cnnn2)cc1	155137156	YVPPGQJNYVOEFB-UHFFFAOYSA-N	305.301	1.291	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)nc1	157714212	ODLOGBMDXPPWKD-WCQYABFASA-N	306.366	1.674	50	20	DDGD	
Cn1cnnc1[C@H]1CCCN(S(=O)(=O)CCCCCl)C1	163423286	NMAQVJXFHBIHCO-NSHDSACASA-N	320.846	1.343	50	20	DDGD	
COC(=O)c1ccccc1S(=O)(=O)NCCSSC	284654766	MLIWZYDCQNDXQA-UHFFFAOYSA-N	321.445	1.763	50	20	DDGD	
CNC(=S)NNC(=O)COc1ccccc1-c1ccccc1	7555978	XVFCRDQESBLRKD-UHFFFAOYSA-N	315.398	1.858	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)NC(C)(C)C)c(OC)c1	8301696	KWTQVFULYLGGBJ-UHFFFAOYSA-N	311.407	1.611	50	20	DDGD	
Cc1cccc2c1N(C(=O)C(=O)NNc1ccc(C#N)cc1)CC2	119731350	VVFPLTWKZMUIMQ-UHFFFAOYSA-N	320.352	1.899	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)CC2(O)CCCC2)c1	118753518	BEDKNEBZNYMCDX-UHFFFAOYSA-N	305.378	1.209	50	20	DDGD	
CCSc1ccc(C(=O)NNC(=O)c2c[nH]nc2C)cn1	110759663	QKHIYFTVQKPEQS-UHFFFAOYSA-N	305.363	1.300	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc(Cl)c(N2CCCC2=O)c1	20915459	DQPUVIPPNHOJLJ-UHFFFAOYSA-N	323.780	1.884	50	20	DDGD	
CC(C)N(C)CC(=O)NNC(=O)c1cccc(OC(F)F)c1	103111582	FRZDYLCYXYPNHC-UHFFFAOYSA-N	315.320	1.389	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)CCNC(=O)c1cccs1	103200006	XPDJZBFKQLFPTB-UHFFFAOYSA-N	311.407	1.452	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)C(F)(F)C(F)F	176809840	CLPURLZLWDNGFZ-UHFFFAOYSA-N	308.231	1.251	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)Cc1ccsc1	21199287	NHQJUYVHKANTFH-UHFFFAOYSA-N	314.370	1.708	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CCC(=O)c2ccccc2)c1	103437228	YIZOYAJASNEGJX-UHFFFAOYSA-N	321.336	1.982	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCOc2ccccc2Cl)cn1	117678654	COKLIITXUDKWQB-UHFFFAOYSA-N	322.752	1.304	50	20	DDGD	
CCCNC(=O)COC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	10956734	UITHXDCSMGBNAA-AWNIVKPZSA-N	314.345	1.182	50	20	DDGD	
CC(C)(C)CC(=O)NCC(=O)NNC(=O)c1ccccc1F	53086049	KSFNOBABRZTGLI-UHFFFAOYSA-N	309.341	1.139	50	20	DDGD	
Cc1cccc([C@H](C)NC(=O)NNC(=O)c2cnn(C)c2)c1C	118077125	ZPXVLNQAJBLJDK-LBPRGKRZSA-N	315.377	1.742	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN[C@@H]2CCCC[C@H]2C)n1	172481050	YBDXDTNPJQCFGY-ZYHUDNBSSA-N	324.450	1.310	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Cc2c(C)nn(C(F)F)c2C)n1	65582682	WYFBSAFQHCUFKD-UHFFFAOYSA-N	324.335	1.988	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2cccc([N+](=O)[O-])c2)o1	175835040	RGZBBBHUQGUHQT-UHFFFAOYSA-N	319.273	1.336	50	20	DDGD	
C[S@@](=O)Cc1cccc(C(=O)NNC(=O)NC2CCCC2)c1	65920283	PRPQFTOIYFLJIH-QFIPXVFZSA-N	323.418	1.452	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cn1	114222967	LOSAMTFDUNRXHX-JTQLQIEISA-N	320.324	1.271	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@H]2C[C@@H]2C2CC2)cc1	176882696	GUAPYSDXWNTPIS-CABCVRRESA-N	302.374	1.821	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1nc(SC)n2ccccc12	64882597	BGJLWZLVLIAKEN-UHFFFAOYSA-N	321.406	1.800	50	20	DDGD	
CCc1ccc(OCC(=O)NNC(=O)c2c[nH]nc2C)cc1	67966485	QFVYCUYGEWDLDF-UHFFFAOYSA-N	302.334	1.121	50	20	DDGD	
COc1ncccc1NC(=O)NNC(=O)Cc1ccccc1F	66906525	KXBIQLWIISILHT-UHFFFAOYSA-N	318.308	1.625	50	20	DDGD	
COc1ccc(NNC(=O)Nc2cn(C)c(=O)cc2C)nc1	122154087	OIMSPSKMZMPBKQ-UHFFFAOYSA-N	303.322	1.246	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1cccc(C#Cc2ccccc2)c1	120568379	JRCYQBFYXAFAAY-UHFFFAOYSA-N	323.352	1.622	50	20	DDGD	
CC[C@@H](C)[C@@H](C)NCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	183060376	HGSXMYUCXBTZHO-GHMZBOCLSA-N	322.365	1.380	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)Cn1ccc([N+](=O)[O-])n1	123602044	LZUUQTQEIYGVMK-UHFFFAOYSA-N	320.261	1.922	50	20	DDGD	
CC(=O)N1CC[C@@H](NC(=O)NNc2ccc(Cl)c(F)c2)C1	120903820	UUQFKOSGJQDNQR-SNVBAGLBSA-N	314.748	1.726	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Nc2cccc(C(F)F)c2)cn1	184743069	QEUCMXNYWOLRDB-UHFFFAOYSA-N	309.276	1.824	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1ccc(-n2cccn2)cc1	129645269	YKZHVNMCVFJOQE-UHFFFAOYSA-N	315.377	1.545	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cc(C(=O)N(C)C)ccc1C	184042155	RXPUCIDCVGTDFE-JTQLQIEISA-N	320.393	1.896	50	20	DDGD	
Cn1ccc(CC(=O)NNC(=O)CCCc2ccccc2)n1	181324634	UYQNCTDMEUIVQJ-UHFFFAOYSA-N	300.362	1.133	50	20	DDGD	
O=C(Cn1cc([N+](=O)[O-])ccc1=O)NNc1cccc(Cl)c1	126023733	SOVVKKOTZWHLSN-UHFFFAOYSA-N	322.708	1.553	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Nc1cccnc1	73117448	RTUXBGKOUBGOOO-JTQLQIEISA-N	318.308	1.841	50	20	DDGD	
CCCCCOCC(=O)NNC(=O)Cc1ccccc1OC	121317015	KRRZPEDHACLYKK-UHFFFAOYSA-N	308.378	1.592	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cccn1Cc1ccccc1	78873550	JOFFTMWBWHROJJ-UHFFFAOYSA-N	322.368	1.950	50	20	DDGD	
Cc1ccc(C[C@@H](CO)NC(=O)NNC(=O)C(C)(C)C)cc1	188086455	PUEDGRGOZAZPKE-ZDUSSCGKSA-N	307.394	1.275	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1cccc(OCC(N)=O)c1	184316529	TVUPJMVSIAIPSS-UHFFFAOYSA-N	317.320	1.755	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNC(=O)CNc1ccc(C)cc1C	183494539	YIHVZCUENWOTOP-CYBMUJFWSA-N	321.421	1.925	50	20	DDGD	
COc1nccnc1NNC(=O)c1cn(C)nc1C(C)(C)C	131890468	CCXKHZWZGZFFNF-UHFFFAOYSA-N	304.354	1.273	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C2(CC)CCC2)nc1C	182721779	GILDTVPPFJGNHJ-UHFFFAOYSA-N	306.366	1.985	50	20	DDGD	
Cn1cnn(CC(=O)NNc2ccc(C(C)(C)C)cc2)c1=O	183180695	CJRJAYMMVPFIRP-UHFFFAOYSA-N	303.366	1.023	50	20	DDGD	
CCCC[C@@H](NNC(=O)COc1cccc(C)c1)C(=O)OC	135140243	YIGUVMPJWLUJQP-CQSZACIVSA-N	308.378	1.726	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2cnc3ccccc3n2)s1	193510296	KYGMSSWQGZEECH-UHFFFAOYSA-N	313.342	1.547	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CC1OCCCO1)c1ccccc1	193221220	GDMBOPAKXCWAQR-CYBMUJFWSA-N	306.362	1.481	50	20	DDGD	
COc1nccnc1NNC(=O)CCc1nnc(C(C)C)o1	131968205	FTQBAUKAKLSIJF-UHFFFAOYSA-N	306.326	1.068	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H](C(C)C)N2CCCC2=O)n1	195146986	VZXPGIDUVCJZKX-ZDUSSCGKSA-N	305.382	1.184	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccc(F)cc2F)c(O)c1	88253900	IYEDALALWJFURX-UHFFFAOYSA-N	320.295	1.983	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(C)c(C(C)=O)c1	193164064	QWKLANNYNZAICF-UHFFFAOYSA-N	300.318	1.753	50	20	DDGD	
O=C(NNC(=O)C1CCN(CC(F)(F)F)CC1)c1ccc[nH]1	97405859	TYWPBGWUHWICPU-UHFFFAOYSA-N	318.299	1.050	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CCCNC(=O)c1ccc(F)cc1	97376568	WUYGNXSDBORNOW-UHFFFAOYSA-N	323.368	1.529	50	20	DDGD	
O=C(/C=C\C1CCCCC1)NNC(=O)C(=O)Nc1ccccn1	255083588	MQHAQUQKTDUAOF-KTKRTIGZSA-N	316.361	1.304	50	20	DDGD	
CC(C)NC(=O)Nc1ccccc1C(=O)NNC(=O)C1CC1	268958050	HEEPVKGJQKTJGE-UHFFFAOYSA-N	304.350	1.388	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)O1	268266168	GDGMQEWYFJRQFS-NEPJUHHUSA-N	307.306	1.313	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@H]1CCc2cn[nH]c2C1	268933057	FPOOTWBVXPNRLG-QMMMGPOBSA-N	314.374	1.663	50	20	DDGD	
CCOCCC1(C(=O)NNC(=O)c2cccc(C)n2)CCC1	279901044	ZPQWFDQLXGMGFP-UHFFFAOYSA-N	305.378	1.748	50	20	DDGD	
O=C(CN1CCC[C@@H]1c1ccc[nH]1)NNC(=O)c1ccccc1	272289316	OYQFBSZBTOGGPG-OAHLLOKOSA-N	312.373	1.613	50	20	DDGD	
C[C@H](NC(=O)NNc1cc(F)c(F)c(F)c1)c1ncn(C)n1	275387513	AHXMWKPRUZHJDS-LURJTMIESA-N	314.271	1.620	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCN2C2CC2)c(O)c1	278466231	BWETTWATOFWXTJ-ZDUSSCGKSA-N	303.362	1.088	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccc(N2CCSCC2)cc1	273202949	LPEIWKZOJJVHNA-UHFFFAOYSA-N	320.418	1.803	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H](C)C2CCOCC2)c1	272566036	HIWFBMCSMUHEKK-LLVKDONJSA-N	321.377	1.914	50	20	DDGD	
Cn1ccc(NC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)n1	273440191	YGXVROKOWIMGDH-UHFFFAOYSA-N	317.393	1.789	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1C1CC1)c1cc2ccccc2o1	278855406	AZHDGZZMSCDXMC-CYBMUJFWSA-N	313.357	1.821	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NNc1cncc(Cl)n1	281605871	RVYQACKXKSRLFR-JOYOIKCWSA-N	311.773	1.737	50	20	DDGD	
C[C@@H](COCC(F)(F)F)NC(=O)NNc1cccc(F)n1	288242356	SMRSQNHKOTYQEF-ZETCQYMHSA-N	310.251	1.814	50	20	DDGD	
O=C(C[C@H]1C(=O)Nc2ccccc21)NNc1ncccc1F	375924522	BBYZRRXAOLFSLN-SNVBAGLBSA-N	300.293	1.790	50	20	DDGD	
O=C(C[C@H]1Oc2ccccc2NC1=O)NCC(Cl)Cl	288151918	GSPYOHLFPPNDPI-SECBINFHSA-N	303.145	1.696	50	20	DDGD	
COCCN(C)NC(=O)c1ccccc1NC(=O)C(C)(C)C	288565432	QMDGMQCTCNRUOV-UHFFFAOYSA-N	307.394	1.894	50	20	DDGD	
COC1(C(=O)NNc2cccc(F)c2[N+](=O)[O-])CCOCC1	286896848	BJUYKJHKFBNLAO-UHFFFAOYSA-N	313.285	1.373	50	20	DDGD	
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ncccc1F	285958606	LNRKZJPHSMURGJ-JTQLQIEISA-N	312.345	1.967	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2noc3c2CCCC3)n1	288180716	QDIPKHNUHQZNJC-UHFFFAOYSA-N	316.365	1.787	50	20	DDGD	
CSSCCNC(=O)Nc1ccc(S(N)(=O)=O)cc1	284632932	BUAMQJHVGPWFIO-UHFFFAOYSA-N	321.449	1.467	50	20	DDGD	
CO[C@@H]1CCC[C@H](CC(=O)NNc2cc(Cl)nc(N)n2)C1	281761463	ZWGNQNZCNWUNFA-DTWKUNHWSA-N	313.789	1.751	50	20	DDGD	
CCc1occc1C(=O)NNC(=O)Cc1ccccc1OC	281368221	CGLVSEUHUXKXIN-UHFFFAOYSA-N	302.330	1.854	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2C[C@@]2(C)C(C)C)cc1	282628793	FRYUPYCKHYKFMC-DYVFJYSZSA-N	317.389	1.763	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H]1C[C@@H](c2ccccc2)OC1=O	294009105	BFQIFDPLWPBORQ-OLZOCXBDSA-N	302.330	1.238	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc(OC2CCC2)cc1	295661291	VYCQIFQAAZYEJT-HNNXBMFYSA-N	318.373	1.948	50	20	DDGD	
N#Cc1cc(O)cc(C(=O)NNC(=O)c2c[nH]c3ccccc23)c1	809557270	OSMKFSRBUBTBCI-UHFFFAOYSA-N	320.308	1.820	50	20	DDGD	
CCN(C)C(=O)c1cccc(NC(=O)NNC(=O)C(C)C)c1	806775614	HVOYFEMUXDKSCA-UHFFFAOYSA-N	306.366	1.587	50	20	DDGD	
O=C1C[C@@H](C(=O)NNC(=O)[C@H]2CCCCO2)c2ccccc21	295326636	GYFKZYKAGUKAAG-TZMCWYRMSA-N	302.330	1.073	50	20	DDGD	
O=C(NNc1cnccn1)c1nn(-c2cccc(F)c2)cc1O	803119145	QPMQWVNNAYEBLZ-UHFFFAOYSA-N	314.280	1.264	50	20	DDGD	
CC(C)(C)N1C[C@@H](C(=O)NNC(=O)Nc2ccccc2)CC1=O	801992071	XMZKYUOCEGQVQI-NSHDSACASA-N	318.377	1.486	50	20	DDGD	
COc1cc(C(=O)NNc2ncccc2F)cc(OC)c1O	804213932	PKAZZXLYWYWDGQ-UHFFFAOYSA-N	307.281	1.700	50	20	DDGD	
Cc1ccc(C(=O)N[C@@H](C(=O)NNc2nnc[nH]2)C(C)C)cc1	293953986	PIYHGTBPRZYHFF-GFCCVEGCSA-N	316.365	1.011	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)N[C@@H]2CC2(C)C)c1	299051734	IQKDDMNKKRYHGB-CYBMUJFWSA-N	305.378	1.811	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNc1ncc(F)cc1F	296900064	JFJFVAHXRIWDQA-UHFFFAOYSA-N	316.308	1.718	50	20	DDGD	
CSSCCNC(=O)N[C@H](CCO)C1CCOCC1	807226256	MXEQLVJXGUQNLE-LLVKDONJSA-N	308.469	1.474	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C1C[C@@H](C)C[C@H](C)C1	807371728	OTEALUWFOXDSDX-RYUDHWBXSA-N	314.426	1.995	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)COc1ccc(F)cc1	800315650	ZMYPGAJNJHGJMN-IMSIIYSGSA-N	310.325	1.165	50	20	DDGD	
CO[C@@H]1CCC[C@H](CC(=O)NNC(=O)N=c2cc[nH]cc2)C1	802035432	CTODHSCPMYYRLX-WCQYABFASA-N	306.366	1.252	50	20	DDGD	
O=C(CN1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1)NNC(=O)c1cccs1	815160015	MCJRBCVYFWHVFR-CYDGBPFRSA-N	319.430	1.487	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC2(CCC2)[C@H]1[C@@H]1CCCO1	810093930	KNMGKPBKQVCIBY-GXTWGEPZSA-N	323.437	1.213	50	20	DDGD	
O=C(CSc1ccccc1O)NN=C1CCS(=O)CC1	814970769	BSDADBBRYAFBFG-UHFFFAOYSA-N	312.416	1.499	50	20	DDGD	
CCS(=O)(=O)c1cccc(C(=O)NNc2ncncc2F)c1	817067826	QYJFDHHBBPZRRY-UHFFFAOYSA-N	324.337	1.166	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)Cc2cc(C)[nH]n2)cc1O	811636447	FKTSXNBBWNCUKQ-UHFFFAOYSA-N	302.334	1.515	50	20	DDGD	
CC[C@H](C)CONC(=O)NNC(=O)Cn1ccc2ccccc21	813833328	VNNJCUCIZFIFOC-LBPRGKRZSA-N	318.377	1.949	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCCCCC1)c1csnn1	814766560	LOVNEUBRRMRONG-NSHDSACASA-N	309.439	1.890	50	20	DDGD	
COCCn1cc(C(=O)NNc2cccc(Cl)n2)ccc1=O	817006280	DCKQELHJNJAABK-UHFFFAOYSA-N	322.752	1.300	50	20	DDGD	
C[C@@H](C(=O)NNc1ncncc1F)n1cnc2ccccc21	817067552	NAKPUHHEOZEVIP-VIFPVBQESA-N	300.297	1.670	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)CCOC[C@@H]1CCCO1	816338240	ATTVDRITOLMHCU-LBPRGKRZSA-N	312.341	1.863	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)[C@@H]1CCCSC1	810465407	MBZBTGLRJSOMSJ-LLVKDONJSA-N	318.402	1.167	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=C1CC[C@@H](c2ccccc2)C1	814835302	NAQSRFTUVCYHFQ-WCQYABFASA-N	323.418	1.364	50	20	DDGD	
COc1ccc(-c2n[nH]cc2C=NNC(=O)c2cnccn2)cc1	818285633	GDNFPBDFXLJVPI-UHFFFAOYSA-N	322.328	1.639	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)c3ccn(C)n3)cc2C1	727366228	JJQPTRMIFNNGPU-VIFPVBQESA-N	318.402	1.681	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)N2CCc3ccccc32)nc(N)n1	828367894	YOFUVBZLCJUGTD-LLVKDONJSA-N	312.377	1.262	50	20	DDGD	
COc1ccc(NNC(=O)CNC(=O)c2ccoc2C)cc1	729274394	YLEJDLVPPZCXKP-UHFFFAOYSA-N	303.318	1.470	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)C[C@@H]1CC[C@H]2C[C@H]12	825969214	JWAAITWMZZZNPC-KKUMJFAQSA-N	302.374	1.787	50	20	DDGD	
O=C(/C=C\c1ccc(O)cc1)NNC(=O)NCC(F)(F)F	492384792	GNBDIQBRTOCGKD-UTCJRWHESA-N	303.240	1.298	50	20	DDGD	
CC[C@H](C)NC(=O)[C@H](C)NC(=O)[C@]1(C)C[C@@H]1Br	822630576	YBRZUNFCIVHIMA-PHGLEFOZSA-N	305.216	1.579	50	20	DDGD	
O=C(CCc1nc2ccccc2o1)NNC(=O)Cc1cccnc1	728852432	AEMSXERBMKSOGQ-UHFFFAOYSA-N	324.340	1.546	50	20	DDGD	
CC(C)CC(=O)N[C@H](C(=O)NN(C)[C@@H](C)CO)c1ccccc1	823960003	UBPWEGKBKAOOLM-BBRMVZONSA-N	321.421	1.234	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NOCC2CCC2)cc1OC	824021643	AGKBDZTWAZHIMO-UHFFFAOYSA-N	323.349	1.380	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)Nc2ccc(Cl)cc2)CCNC1=O	822759897	ACIIDKNHJTYRDU-ZDUSSCGKSA-N	310.741	1.019	50	20	DDGD	
CO[C@H](C)CCNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	726713560	HBQHFRWBRCKKCO-SFCYXTAJSA-N	323.437	1.958	50	20	DDGD	
CC1(C)CN[C@H]1C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	829522465	JCAKMRNZWJWXRZ-JTQLQIEISA-N	321.768	1.831	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccsc1Br	825438446	UDEVLNAYHNKCTP-UHFFFAOYSA-N	306.185	1.865	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2	495623418	OJUMOKPUZYTVAU-SSDOTTSWSA-N	308.294	1.189	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(C)c(S(N)(=O)=O)c1	490753840	MDXMXYIDFGYPGP-NTMALXAHSA-N	309.347	1.025	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1Cl	823475188	OOCNIMVEGJLGPP-JQWIXIFHSA-N	310.781	1.763	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H](C)Cc1cnc2ccccc2n1	495788534	SGBOMERQPKYXGT-SNVBAGLBSA-N	302.334	1.586	50	20	DDGD	
C[C@H](CCNC(=O)/C(C#N)=C\c1cnn(C)c1)N1CCCCC1	491100511	BECACLAUAAEXNZ-KWZJRMENSA-N	315.421	1.708	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(NC(=O)C(C)(C)C)nc1	823918345	VLYHZXKXXRGQBS-SNVBAGLBSA-N	308.382	1.024	50	20	DDGD	
COC(=O)NNC(=O)c1cc(Cl)c2c(c1)OCCCO2	490597852	OGGAALAHHUIGJS-UHFFFAOYSA-N	300.698	1.502	50	20	DDGD	
CC(C)(C)OC(=O)N1CC=C(C(=O)NNC(=O)NC2CC2)CC1	497204014	UZOFKPUKQYWGNO-UHFFFAOYSA-N	324.381	1.046	50	20	DDGD	
COCCN(C)NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1	908114759	JQRQCVVTEQVNPW-UHFFFAOYSA-N	319.283	1.253	50	20	DDGD	
Cc1ccc([C@H](C)NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)s1	825890419	DAMJLRTWGZQWPQ-GARJFASQSA-N	311.407	1.873	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@]2(C)CC(C)=NO2)c1	901319827	FXIKUIGZWLPWPT-HNNXBMFYSA-N	321.333	1.020	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1	495691502	BPBQDGPRSHJUPO-UHFFFAOYSA-N	313.317	1.395	50	20	DDGD	
C[C@H](NCc1ccccc1B(O)O)c1cccc(N2CCCC2)c1	585027912	ANHSZCXKTKOCRW-HNNXBMFYSA-N	324.233	1.817	50	20	DDGD	
O=C(CO)NN=CC1CCN(C(=O)OCc2ccccc2)CC1	496592925	UJCDGZDGWPPKOF-UHFFFAOYSA-N	319.361	1.130	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21)c1ccc2ccccc2n1	905018685	YOSRJQKBTANMQJ-COLVAYQJSA-N	309.325	1.221	50	20	DDGD	
C[C@H](CC(=O)O)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	827303462	FQLSWZSUXZTFLS-LKBWSCCASA-N	322.405	1.851	50	20	DDGD	
C[C@]1(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H]1Br	907064450	JCMMATGIOKHBPQ-WPRPVWTQSA-N	317.143	1.081	50	20	DDGD	
CCOC(=O)N[C@@H](C(=O)NNc1nccnc1C(C)C)C(C)C	496794993	QDSMAYPLSGTTKX-GFCCVEGCSA-N	323.397	1.814	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCCc2sccc2C1	584942786	DNQURHMFPAVNOP-UHFFFAOYSA-N	319.166	1.156	50	20	DDGD	
COCC[C@@]1(NC(=O)/C(C#N)=C/c2ccc(O)cc2)CCOC1	491106491	SLSLRJMASDCNSM-IDKBZEPQSA-N	316.357	1.611	50	20	DDGD	
CC(C)n1ncc2c1[C@H](NCc1ccc(B(O)O)cc1)CCC2	585036907	SDLYAYFSCDESGZ-MRXNPFEDSA-N	313.210	1.311	50	20	DDGD	
C[C@H]1[C@@H](C)N(C(=O)/C(C#N)=C\c2ccc(O)cc2)CC[S@]1=O	490663555	KEZLJLSMQPLBAX-NXDMVHSOSA-N	318.398	1.667	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)cc1F)c1ccc2c(c1)OCO2	585019391	AFAQWDDJSFAZAP-JTQLQIEISA-N	317.125	1.085	50	20	DDGD	
CO[C@@H](C)CCNC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836282093	DFNMTLOCSITCHU-VIFPVBQESA-N	324.337	1.176	50	20	DDGD	
COCCn1c(C)cc(C=NNC(=O)[C@@H]2CCCCO2)c1C	834988931	BGBAJQBDEVXYCZ-HNNXBMFYSA-N	307.394	1.771	50	20	DDGD	
C[C@H](C[C@H]1CCCO1)c1nc(-c2ccc(B(O)O)cc2)no1	585051462	HLWNUCGGZYDXEL-ZWNOBZJWSA-N	302.139	1.089	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@]2(Cl)C[C@H]3CC[C@H]2O3)n1	906877058	BTLOIMMYJLMSSE-KKFJDGPESA-N	312.757	1.166	50	20	DDGD	
C[C@@H]1CCCC1=NNC(=O)COc1ccccc1-c1nn[nH]n1	736259995	GUMGNTUGRADDKP-SNVBAGLBSA-N	314.349	1.538	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2ccc(Cl)nc2)CCCC1	837350631	YCUPLPQDZZOQHR-UHFFFAOYSA-N	311.769	1.703	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CCCN(C)C(=O)O	737906267	ZPRRYLSKLXKMFN-UHFFFAOYSA-N	312.278	1.899	50	20	DDGD	
Cc1noc(CNC(=O)NNC(=O)C(C)(C)c2ccccc2)n1	731282031	HECKBKOEZIXNFO-UHFFFAOYSA-N	317.349	1.186	50	20	DDGD	
CC(C)CC[C@H]1CCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)C1	834955902	JKOSUCROJAUXRY-NEPJUHHUSA-N	317.455	1.633	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H](C)[C@H](OC)C2CC2)n1	836642353	RXQAKIMAMYVGQG-SKDRFNHKSA-N	309.370	1.233	50	20	DDGD	
C[C@@H](OCC(F)(F)F)c1nc(-c2ccc(B(O)O)cc2)no1	585051187	XCQKDKYVPNXNFK-SSDOTTSWSA-N	316.044	1.056	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H](O)c1ccccc1C(F)(F)F	900396421	YFLRLKSPVVAVAY-JTQLQIEISA-N	319.283	1.479	50	20	DDGD	
CCS(=O)(=O)CC(C)=NNC(=O)c1cccc(N(C)C)c1	733745795	BETJHCAABKZZLY-UHFFFAOYSA-N	311.407	1.293	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cccc(B(O)O)c1	584913285	SIRGCZMQOHDVDM-VIFPVBQESA-N	302.139	1.104	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc(Cl)c(C)c1	901964421	JHWCSZFYSFBNOV-UHFFFAOYSA-N	314.794	1.761	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC1=N[C@H]2C=C[C@H]1C2	739399640	GYDYMIFDBUMIKJ-RYUDHWBXSA-N	301.346	1.442	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccnc(OCC(F)(F)F)n1	836768587	IBMQWSUKHGVOLQ-UHFFFAOYSA-N	321.259	1.226	50	20	DDGD	
CC(=NNC(=O)O)c1ccc(S(=O)(=O)CC(F)F)cc1	736121077	JJCXSGIVGKJMQG-UHFFFAOYSA-N	306.290	1.717	50	20	DDGD	
O=C(C[C@H]1CCCO1)NNC(=O)c1cnn(-c2ccccc2)c1	733106818	LWARYJCDLPARIN-CQSZACIVSA-N	314.345	1.202	50	20	DDGD	
Cc1ccc(-c2nc(CC(=O)N3CC[C@H](B(O)O)C3)cs2)o1	585068898	GUDZERGHKPMBLV-JTQLQIEISA-N	320.179	1.329	50	20	DDGD	
COC[C@@]1(CO)CCN(C(=O)[C@@H](Br)C(C)(C)C)C1	837083585	TUECPSWNTZINAG-MFKMUULPSA-N	322.243	1.653	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)[C@@H]1CCCCO1)c1ccncc1	836340409	MROKSIWYPSFKFC-AAEUAGOBSA-N	306.366	1.085	50	20	DDGD	
CN(C)C(=O)[C@H]1CCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C1	839635965	MJJPZUMIJGZBKY-FEZXJWFHSA-N	314.345	1.869	50	20	DDGD	
C[C@@]1(C(=O)NCc2ccc(O)cc2O)C[C@H]1Br	910944470	MNQGBFPYUXKBAG-ZYHUDNBSSA-N	300.152	1.888	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCCc2cccnc2)nc1	831285510	MPMGYBMTVJWSOP-UHFFFAOYSA-N	314.345	1.729	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)CCc2ccccc2)cn1	749928308	QECLWSPUFMNNMD-UHFFFAOYSA-N	312.373	1.853	50	20	DDGD	
O=C(NN=Cc1ccccc1C(F)(F)F)C(=O)N1CCCC1	748137734	VCMSPBYFDIHPBK-UHFFFAOYSA-N	313.279	1.778	50	20	DDGD	
O=C(CCC1CCOCC1)NNC(=O)COc1ccccc1O	742652478	GBMKQESTMZIOCB-UHFFFAOYSA-N	322.361	1.125	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(Cl)c1	843653548	XJEZJZATHURPPW-PSASIEDQSA-N	312.753	1.535	50	20	DDGD	
O=C(NC[C@@H]1CCCCO1)NNC(=O)c1cc2ccccc2o1	749559869	OLNDRILWIRHUDE-LBPRGKRZSA-N	317.345	1.946	50	20	DDGD	
Cc1ccc(OCCCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	843644898	GXIMYJABGOWTDF-HIFRSBDPSA-N	320.389	1.726	50	20	DDGD	
CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NC(=O)NNC(=O)CC(F)(F)F	745860776	ZZHLMSHGCYWQLP-QNSHHTMESA-N	323.315	1.473	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN[C@@H]1CCC1(C)C	846958910	LXAGNSXMSJWTRP-CQSZACIVSA-N	303.406	1.463	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)NC2CCCC2)C1	746174919	VWIOIVBSTORPIC-WDEREUQCSA-N	311.382	1.239	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNc1ccc(CC(=O)OC)cc1	845257431	FSXNUQQYVMXURG-KGLIPLIRSA-N	321.377	1.596	50	20	DDGD	
C=CCN(CC(=O)NNC(=O)Cc1nc(C)cs1)C(C)C	917168716	XWHMPLIYLZFBCM-UHFFFAOYSA-N	310.423	1.038	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1ccc(N2CCNC2=O)cc1	918674550	SUJCLDSFCVSTGJ-QBFSEMIESA-N	314.345	1.276	50	20	DDGD	
C#CCSCC(=O)NNC(=S)Nc1ccc(N(C)C)cc1	913824155	FUSVYSSATHDMFR-UHFFFAOYSA-N	322.459	1.437	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@H]1COc2ccccc2C1	916635915	JQZLRBMZPKZYDF-CYBMUJFWSA-N	303.362	1.511	50	20	DDGD	
O=C(NCCCOC[C@H]1CCOC1)NNc1ccc(F)cn1	740920551	PVRLBIUZVSWKGY-LLVKDONJSA-N	312.345	1.290	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCC2(C#N)CCC2)cc1	842197348	UWSAAMWLGZIZGI-UHFFFAOYSA-N	316.361	1.398	50	20	DDGD	
CCC(=O)Nc1cccc(CNC(=O)NNc2ncccn2)c1	916381421	GPCURQDTXCITNU-UHFFFAOYSA-N	314.349	1.651	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)Cc1csc(-c2cccc(F)c2)n1	910180207	TWZLBASSJBZGCY-JTQLQIEISA-N	323.393	1.836	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)c1ccc2c(c1)C(=O)NC2=O	743818974	UXODWJGTWRBLOO-UHFFFAOYSA-N	316.704	1.376	50	20	DDGD	
CCc1c(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cnn1C(C)(C)C	843648532	XVZKIDUUQUBORK-WDEREUQCSA-N	322.409	1.387	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNC(=O)c1ccc(Cl)cc1O	842227589	UJQUUEYLXZFKFG-LBPRGKRZSA-N	314.769	1.868	50	20	DDGD	
Cn1ccnc(NNC(=O)c2cc(Cl)cc(Cl)c2)c1=O	747942162	XWCPBCAKONKZRE-UHFFFAOYSA-N	313.144	1.844	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1CC	843660214	WASZDWROMCRSGP-NWDGAFQWSA-N	322.409	1.432	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@@H](CCN)C(F)F	843484250	PTSLPWHLBXRXQY-NKWVEPMBSA-N	301.175	1.895	50	20	DDGD	
CO[C@H](CC(=O)NNC(=O)Cc1ccccc1F)C(F)(F)F	844382900	MRBSYNYTODCXGT-SNVBAGLBSA-N	322.258	1.483	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H]2CCC[C@H](N)C2)cc1	841981498	DEECJJCPOIQGFP-UONOGXRCSA-N	304.394	1.463	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)c1nnc(-c2ccccc2)o1	920380705	DJBMQFWKHKNBTO-UHFFFAOYSA-N	324.344	1.851	50	20	DDGD	
O=C(NNC(=O)c1cccn1Cc1ccncc1)c1ccccn1	751283017	VKUFOOATXRCYJA-UHFFFAOYSA-N	321.340	1.401	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1nnc(C(F)F)s1	756220521	HRBAAMZBYVSJGO-UHFFFAOYSA-N	314.277	1.337	50	20	DDGD	
CCN(Cc1ccc(OC)cc1)C(=O)NNC(=O)c1cn[nH]c1	858703731	BMXBNKLQLFQLHK-UHFFFAOYSA-N	317.349	1.295	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(N(C)C(=O)NC)cc1	921329622	KWNUDKAASOAZHM-KHPPLWFESA-N	302.334	1.845	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)OCC(F)(F)F)cn1C	853430091	XJUQTQMQCWVAKD-UHFFFAOYSA-N	307.228	1.434	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(NC(=O)C(C)C)cc1	854925407	FVABSRHDMMOZHJ-UHFFFAOYSA-N	308.407	1.362	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ncc(Cl)cn1	857356426	ZWROQFDNFRSCHW-SSDOTTSWSA-N	315.761	1.486	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)c1ccc(C#N)cc1)C1CC1	852555163	KNCXUPQXGJJVPQ-CQSZACIVSA-N	300.362	1.097	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1c([N+](=O)[O-])ccc(F)c1C	854927369	FWLIEOUIFPPWPI-UHFFFAOYSA-N	300.315	1.123	50	20	DDGD	
CCN(CC)CCCNC(=O)NNc1ncc(Cl)cn1	856829172	FQPWMSJRUJQRAS-UHFFFAOYSA-N	300.794	1.488	50	20	DDGD	
CC[C@@H]1CN([C@H](CC)C(=O)NNc2ccc(C#N)cn2)CCO1	924815760	RAFNKLLITSRDKF-ZIAGYGMSSA-N	317.393	1.286	50	20	DDGD	
O=C(NCC1CC1)NN=Cc1ccc(O[C@@H]2CCOC2)cc1	853295925	VQZKGKBBWOLARZ-OAHLLOKOSA-N	303.362	1.897	50	20	DDGD	
CN(C)CCCNC(=S)NC[C@@]1(C)C[C@H]1Br	857204483	SNDMVHAONTZONV-MWLCHTKSSA-N	308.289	1.576	50	20	DDGD	
O=C(CC[C@H]1CC1(Cl)Cl)NNC(=O)c1ncccn1	854954048	ZYEBVBFAGIMSJH-ZETCQYMHSA-N	303.149	1.212	50	20	DDGD	
O=S(=O)(N[C@@H]1C=C[C@H](CO)C1)c1ccc(CCCl)cc1	751475624	MFYREFBINIJBJS-QWHCGFSZSA-N	315.822	1.683	50	20	DDGD	
COCc1ccccc1C(=O)NNC(=S)NCC1CCC1	855091781	FFBSBMCHCFVGIM-UHFFFAOYSA-N	307.419	1.742	50	20	DDGD	
CC(C)(C)OC(=O)NC1(C(=O)NNc2cccnn2)CCCC1	753100547	RQTYXGAYBORXQH-UHFFFAOYSA-N	321.381	1.757	50	20	DDGD	
Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNc1cc(Cl)nc(N)n1	753457668	RRVKWLZJQMNNPI-ZCFIWIBFSA-N	323.788	1.309	50	20	DDGD	
CNC(=O)C[C@H](C)NC(=O)NNc1ccc(Cl)cc1F	922747425	MBEFVTHNHGMLEV-ZETCQYMHSA-N	302.737	1.630	50	20	DDGD	
CC(C)(C)C(=O)N1CCN(C(=O)NNC(=O)C2CCCC2)CC1	753343187	DUYKPTKYTOFCOL-UHFFFAOYSA-N	324.425	1.108	50	20	DDGD	
CC[C@@H]1CC(=NNC(=O)COc2ccc(C#N)cc2)CCO1	756823175	HCDFDWRYPOSHDT-CQSZACIVSA-N	301.346	1.998	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)CCCCF)C[C@@H]1Br	856752493	KBNXWRZVXLEOBD-IUCAKERBSA-N	302.209	1.829	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)[C@@H](C)NS(=O)(=O)CC	854336953	SGIMFQZCGIIZNS-LLVKDONJSA-N	313.423	1.328	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1O)c1ccc(F)cc1O	750537071	AMHPAMSQIGDNRB-UHFFFAOYSA-N	324.695	1.965	50	20	DDGD	
O=C(O)C1(C(=O)NNc2nc(-c3ccccc3)no2)CCC1	852951439	PFDMWVYFYLTPOK-UHFFFAOYSA-N	302.290	1.435	50	20	DDGD	
CC(C)c1cccc(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1	853292955	ZXZZLUJGQCAIPI-CQSZACIVSA-N	323.418	1.630	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccc(Cl)nn2)[C@@H]2CCCC[C@@H]2N1	857129228	HRVHJCRHKSSPDP-GUBZILKMSA-N	323.784	1.268	50	20	DDGD	
COC(=O)C[C@H](NC(=O)[C@]1(C)C[C@@H]1Br)C1CC1	934413156	SMVVZBZLGIPEGU-HOTUBEGUSA-N	304.184	1.618	50	20	DDGD	
O=C(NCC1=CCCC1)NNC(=O)Nc1ccc2c(c1)OCO2	852632742	GESOJFCSVHFTNK-UHFFFAOYSA-N	318.333	1.861	50	20	DDGD	
O=C(NC[C@@H]1C[C@H]2C=C[C@H]1CC2)NNC(=O)c1cccc(F)n1	852384451	CSDOZFAICNBESO-SRVKXCTJSA-N	318.352	1.767	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1ccc(OC)cc1OC)C1CC1	852070651	VCZOWQUDJUAGTD-CYBMUJFWSA-N	321.377	1.836	50	20	DDGD	
O=C(CN1C[C@H]2CCC[C@H]1C2)NNC(=O)c1ccccc1Cl	934378615	XGXQTXKFHZCARR-RYUDHWBXSA-N	321.808	1.975	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1cc(C)cc(Cl)c1	869908180	JYEGGPTUMXIYBG-UHFFFAOYSA-N	300.742	1.072	50	20	DDGD	
C[C@@H](NNC(=O)c1ccnc(O[C@@H]2CCOC2)c1)C(F)(F)F	862318586	RJWYXQUSDIEWLL-PSASIEDQSA-N	319.283	1.435	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)C(=O)Nc1cccc(C#N)c1	763960377	NNYLOJLDSWRWNT-UHFFFAOYSA-N	322.324	1.266	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ccc2c(c1)CCO2	863145974	RSXOQOUWZNLEKT-ZDUSSCGKSA-N	301.346	1.130	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@@H]1CCN1C1CCCC1	862465674	CDESPEJPILZIGZ-HNNXBMFYSA-N	319.380	1.533	50	20	DDGD	
C[C@H](NNC(=O)[C@]1(O)CCc2ccccc2C1)C(F)(F)F	862319360	BZNHFVYONZPGKY-ZANVPECISA-N	302.296	1.478	50	20	DDGD	
C/C=C\C(=O)NNC(=O)c1cc(-c2ccccc2OC)[nH]n1	763153317	LCMLRTDQTVIFIN-UTCJRWHESA-N	300.318	1.422	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)Cc2ccccc2F)CCC1=O	764200031	SAVJMMQECSHPIP-ZYHUDNBSSA-N	306.337	1.521	50	20	DDGD	
CS/C=C/C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	763175507	DTCJMKDFYBPMSW-VOTSOKGWSA-N	320.349	1.854	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)OCCC(C)(C)O)cc(C#N)n1C	765432893	XOWUELXJTYWURT-NTUHNPAUSA-N	301.346	1.816	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNc1nc2ccccc2[nH]1	768495669	OCWQPEWOVNTMKB-ZDUSSCGKSA-N	315.377	1.797	50	20	DDGD	
Cc1csc(C(=O)NNS(=O)(=O)c2c(C)noc2C)c1	863417956	YKRGMPYKMJIPEZ-UHFFFAOYSA-N	315.376	1.285	50	20	DDGD	
Cn1ncc(C(=O)NNc2nc3ccccc3[nH]2)c1C(F)F	768497136	VRSVCWYANQIVQZ-UHFFFAOYSA-N	306.276	1.991	50	20	DDGD	
COc1ccccc1SCC(=O)NNc1nnc(C)c(O)n1	763526220	SHDUGEHYISZIEA-UHFFFAOYSA-N	321.362	1.130	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C/c1cccc(NC(C)=O)c1	864364709	GXOVBDWYEUGTHY-LLUUXILJSA-N	301.346	1.703	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1nc[nH]c2nccc1-2	863102145	BIFGRXDCOBPCEX-UHFFFAOYSA-N	309.198	1.342	50	20	DDGD	
CC(C)O[C@@H](C=NNC(=O)CS(C)(=O)=O)c1ccccc1	863185775	BRHHOWZNWRSXRN-ZDUSSCGKSA-N	312.391	1.299	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=C2CCCC[C@H]2N2CCCCC2)N1	863149432	ZQPRHJCFRGRGPE-UONOGXRCSA-N	306.410	1.166	50	20	DDGD	
CC(C)C[C@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1	862454468	GRCABTZTQSKPFK-UONOGXRCSA-N	317.389	1.242	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)c1cccc2ncccc12	865202247	JAOVKSHBVVUPMV-UHFFFAOYSA-N	301.346	1.811	50	20	DDGD	
COC(=O)c1oc(S(=O)(=O)NCC(Cl)Cl)cc1C	867468368	CSXVZOYEFFPTJL-UHFFFAOYSA-N	316.162	1.457	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)n1ccc(C(F)(F)F)n1	864724527	NYXPWBRPLXHMNY-MRVPVSSYSA-N	306.288	1.656	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@H]1CCN2CCCC[C@H]12	866502586	ICMIABWIWFCCMX-NWDGAFQWSA-N	308.875	1.798	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)C[n+]2ccccc2)c(F)c1	1115813049	KVLPEFFCUSHZAO-UHFFFAOYSA-O	302.329	1.662	50	20	DDGD	
CO[C@H](C)[C@H](C)NC(=O)NNC(=O)c1nc2ccccc2s1	872982134	RVNYZJLGNHBLAU-DTWKUNHWSA-N	322.390	1.664	50	20	DDGD	
CNC[C@@H](C)CNC(=O)NNc1cccc(C(=O)OC)c1F	1118031595	DFSSGSIYUKXIFG-SECBINFHSA-N	312.345	1.094	50	20	DDGD	
CSc1ccc(NC(=O)NNC(=O)C2CCOCC2)nc1	879163607	WSWKVVLTUVXUIW-UHFFFAOYSA-N	310.379	1.383	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1ccnn1C(C)C	772189457	CQKTXTSLGBPELD-NSHDSACASA-N	324.381	1.203	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NNc1cncc(Br)c1	1116395515	MQOKXMOXYIUNJL-UWVGGRQHSA-N	300.156	1.712	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)c2nc3ccccc3s2)CO1	874913543	FCMCLBZDKXLEOQ-IUCAKERBSA-N	305.359	1.482	50	20	DDGD	
CC[C@@H](NC(=O)NNc1nncc(N)c1Cl)[C@@H]1CCCO1	1116381386	RKYJTQULLZIWIH-BDAKNGLRSA-N	314.777	1.296	50	20	DDGD	
C[C@@H](C(=O)OC[C@@H](C)CBr)N1C(=O)CCC1=O	770345042	NKMVNSRTXLMCFS-YUMQZZPRSA-N	306.156	1.098	50	20	DDGD	
CCc1cc(NC(=O)NNC(=O)COCCOC)ccc1F	879538789	JAKDLNJCCZVKOG-UHFFFAOYSA-N	313.329	1.204	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCCCOCCc1ccccc1	875118906	VSJXVJIHBQNROA-UHFFFAOYSA-N	323.393	1.938	50	20	DDGD	
CCC(CC)[C@H]1C[C@H](NC(=O)NN(C)C(=O)OC)CCO1	875465811	DHNCEBAYDLMKSZ-VXGBXAGGSA-N	301.387	1.883	50	20	DDGD	
C#CC[C@@H](CCOC)NC(=O)c1c(C)nn(CCCl)c1C	876072800	AKFZZZMJUDWYBV-ZDUSSCGKSA-N	311.813	1.897	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)Cc2nnc(C)s2)cc1	1118776412	UPERCHPXKYLDJY-UHFFFAOYSA-N	320.374	1.248	50	20	DDGD	
CO[C@@H]1CN[C@](C)(C(=O)NNc2ccccc2C(F)(F)F)C1	876597551	DXHFNTPKCXUFMM-ZANVPECISA-N	317.311	1.916	50	20	DDGD	
CCOc1nc(C(=O)NNC(=O)NCCc2cccs2)co1	772423335	KXQZXZYLLIIHHR-UHFFFAOYSA-N	324.362	1.322	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1ccc([N+](=O)[O-])o1	773641114	KZRWLTNYGXLQNH-UHFFFAOYSA-N	323.236	1.870	50	20	DDGD	
COC[C@H](NC(=O)NN(C)C(=O)OC)c1cccc(OC)c1	875731169	LRZFYZIRTFBLAP-LBPRGKRZSA-N	311.338	1.295	50	20	DDGD	
CCC(C)(C)N[C@H](C)C(=O)NNC(=O)CCc1ccccc1	772663785	JQJDEUOPEFQUKR-CYBMUJFWSA-N	305.422	1.933	50	20	DDGD	
N#CSCCCNC(=O)c1ccc(N2CCOCC2)cc1	773592555	CDDMEWBYQYEREF-UHFFFAOYSA-N	305.403	1.857	50	20	DDGD	
CN1CC[C@H](C(=O)NNC(=O)c2cccc3ccccc23)C1=O	773130586	GWWWCDIDGLTAJR-CQSZACIVSA-N	311.341	1.079	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1c(Cl)nc2ccccn12	779823556	RDCROSUGAFHEIL-UHFFFAOYSA-N	323.740	1.184	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CSCC(=O)c1ccccc1	887143283	SHCFKVQXELEQRL-UHFFFAOYSA-N	318.398	1.553	50	20	DDGD	
NC(=O)NCc1ccc(C(=O)NNc2ccnc(F)c2)cc1	781362167	GEWVECZUBJTLSW-UHFFFAOYSA-N	303.297	1.146	50	20	DDGD	
CCCCNC(=O)NN=C1CCOC[C@H]1CN1CCCCC1	787154001	SUBIZXZUIWLTNL-CQSZACIVSA-N	310.442	1.964	50	20	DDGD	
CCN(CCc1ccccn1)S(=O)(=O)CBr	782423703	SRNZTELFUIOWNL-UHFFFAOYSA-N	307.213	1.628	50	20	DDGD	
O=C(NNC(=O)N1CC[C@@H](Oc2ccncc2)C1)C1CCCC1	789841588	KIEIHXBSVDZHJE-CQSZACIVSA-N	318.377	1.466	50	20	DDGD	
C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)N1CC=C(C#N)CC1	780684707	IRNOLDYJBCHHGH-NSHDSACASA-N	323.356	1.363	50	20	DDGD	
O=C(NN=C1CC[C@H](C(=O)O)c2ccccc21)c1cnccn1	788974503	DQMKEBVURINHBH-LBPRGKRZSA-N	310.313	1.573	50	20	DDGD	
NC[C@H]1CC[C@H](NC(=O)NNC(=O)Cc2ccc(F)cc2)CC1	892453069	WAVQERJUCXGICF-MQMHXKEQSA-N	322.384	1.216	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H]1CC(c2c(F)cccc2F)=NO1	785690607	ITKVPSGYOOPENY-LLVKDONJSA-N	311.288	1.261	50	20	DDGD	
CN(C(N)=O)c1ccc(OS(=O)(=O)CBr)cc1	782435622	SUVRVUZLRWWBDP-UHFFFAOYSA-N	323.168	1.263	50	20	DDGD	
O=C(CCN1CCCCCC1)NN=C1CC(=O)N2CCCC[C@@H]12	799471417	HTOPQMHGXDFRFN-HNNXBMFYSA-N	320.437	1.510	50	20	DDGD	
CCC1(O)CCC(NC(=O)NNc2nc3ccccn3n2)CC1	790446681	LFLDCONFHFARLL-UHFFFAOYSA-N	318.381	1.439	50	20	DDGD	
CC(C)(N)CCNC(=O)NNC(=O)Cc1ccc(Cl)cc1	892859619	GRHKQDBOFLSROZ-UHFFFAOYSA-N	312.801	1.340	50	20	DDGD	
Cc1ccc(OCC(=O)NN=C2CCCc3nn(C)cc32)cc1	794476942	USNLGUQWLIHVIK-UHFFFAOYSA-N	312.373	1.964	50	20	DDGD	
CSSCCNC(=O)N1CCN(CC(C)C)C(=O)[C@@H]1C	790882592	QOFDKBYOTWXSPK-NSHDSACASA-N	319.496	1.896	50	20	DDGD	
COC(=O)[C@H]1CC[C@H](C(=O)NNc2nc3ccccc3[nH]2)CC1	798113525	JPGYKTIEAKUYFC-XYPYZODXSA-N	316.361	1.985	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)c1cccc(C)n1)c1ccccc1	794090791	ZPENYOIETBOOMD-QGZVFWFLSA-N	313.357	1.713	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)CCc1ccccc1[N+](=O)[O-]	796110471	CYGJZSCXKHDORK-NSHDSACASA-N	322.365	1.015	50	20	DDGD	
COc1ccc(C=NNC(=O)c2ccc(O)c(O)c2)cc1C#N	794556164	QISWFGKLVACTOG-UHFFFAOYSA-N	311.297	1.742	50	20	DDGD	
Cc1cccnc1NNC(=O)Cn1nnc(-c2ccccc2)n1	791224320	CCYADAJXUCRZTA-UHFFFAOYSA-N	309.333	1.187	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1cccc(F)c1[N+](=O)[O-]	791062594	FRPQTYGCMVRNPH-LBPRGKRZSA-N	306.297	1.275	50	20	DDGD	
CC(=O)NN=C(C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl	794454608	JLTNFNOGUAEIAQ-UHFFFAOYSA-N	324.189	1.501	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@@]2(C)CCCS2)cc1	1319268629	SWIHEFHRPFQYGL-OAHLLOKOSA-N	323.418	1.925	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNc2nncc(N)c2Cl)C1(C)C	1319393845	MVQAXPPKWHZPSL-YUMQZZPRSA-N	314.777	1.152	50	20	DDGD	
Cc1ccccc1OCC(=O)NNc1nncc(N)c1Cl	1319303879	WFQTUQLZPLYEFS-UHFFFAOYSA-N	307.741	1.543	50	20	DDGD	
Cc1c[nH]cc(C(=O)NNC(=O)c2ccccc2Cl)c1=O	1320807304	ACSDMXFFOPOJRN-UHFFFAOYSA-N	305.721	1.412	50	20	DDGD	
CCOc1cc(C=NNC(=O)C(=O)OC)ccc1OC(=O)CC	1326101714	UUTHETAMIUENRC-UHFFFAOYSA-N	322.317	1.024	50	20	DDGD	
CSc1ccc(NC(=O)NNC(=O)CCO)cc1Cl	1323927749	VYQMTBLUSWIECE-UHFFFAOYSA-N	303.771	1.597	50	20	DDGD	
CCC(=NNC(=O)C(=O)OC)c1ccccc1OC(F)F	1324925425	YZHJNMOWBNMRTG-UHFFFAOYSA-N	300.261	1.691	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccncc1C(F)(F)F	1324581928	FQHLLNMCYZLLHG-UHFFFAOYSA-N	301.203	1.786	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ncc(F)cn2)c(Cl)n1	1336902901	ICJZKMRVYZFQTF-UHFFFAOYSA-N	324.703	1.054	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cncc(OCC(F)F)c1	1333573298	GFFXXCAXQJQMMR-UHFFFAOYSA-N	311.288	1.290	50	20	DDGD	
CO[C@H]1CCC[C@H]1C(=O)NNc1nnc(-c2ccccn2)s1	1337188825	IJLKCAKSVXSUJN-KOLCDFICSA-N	319.390	1.858	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@@]2(C)C[C@H]2Br)C1	1334548354	GRUYNYLMJUUTDA-BSTOTGJRSA-N	317.227	1.581	50	20	DDGD	
O=C(CCc1nc2cccnc2[nH]1)NNC(=O)Nc1ccccc1	1256690793	IBOWTLLOHAPWBP-UHFFFAOYSA-N	324.344	1.743	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C[C@@H](OC)C(F)(F)F)cc1	1332523357	OIRGMMZZVULGHW-SNVBAGLBSA-N	320.267	1.424	50	20	DDGD	
COC(=O)[C@H]1CN(C)CCN(C(=O)c2cccc(CCl)c2)C1	1336522639	UMECREKMRXVUPG-AWEZNQCLSA-N	324.808	1.602	50	20	DDGD	
C#Cc1ccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)cc1	1262700895	VVNJWLVJGNCVMN-UHFFFAOYSA-N	301.346	1.190	50	20	DDGD	
C[C@@]1(COC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C[C@H]1Br	1348962719	WCUQKMHKPNMRBP-ONYIWYLUSA-N	319.195	1.755	50	20	DDGD	
COc1ccc(C(=O)NN=C2CCN(CC(C)(C)O)CC2)cc1	1343846960	LCHWAPQIANWYQZ-UHFFFAOYSA-N	319.405	1.648	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CC[C@@H]1[C@H](C)Nc2ccnn2[C@@H]1C	1263773661	BDMCPZAAZQACLA-QJPTWQEYSA-N	322.413	1.347	50	20	DDGD	
COC(=O)C(=O)NNC(=O)NC[C@H]1CCC[C@H]1c1ccccc1	1344568489	SAEKSPCUFVURBV-OLZOCXBDSA-N	319.361	1.074	50	20	DDGD	
CN1CCC[C@@H](NC(=O)NNc2ccc(C(C)(C)C)nn2)C1=O	1352305968	TVHBSNAKYCHFEO-SNVBAGLBSA-N	320.397	1.021	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CSCCS2)cc1C(=O)O	1600462437	IIJVOWHHSJLYEP-NSHDSACASA-N	312.416	1.985	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C/c1ccc(F)c(-c2nn[nH]n2)c1	1609216454	KAZXVPVHUBNRRF-UXBLZVDNSA-N	321.337	1.695	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1cccc(F)c1C(=O)O)C(C)C	1603035006	HMWUZCCBBGHUFF-GFCCVEGCSA-N	311.313	1.128	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCCCC[C@H]2C(=O)O)cn1	1600946006	KCOLFWFFKBXSMN-WHGQRRHOSA-N	302.334	1.183	50	20	DDGD	
Cc1c(NNC(=O)[C@H](C)Oc2ccccn2)cccc1C(=O)O	1600051593	WYLWOYVNMBQUTR-NSHDSACASA-N	315.329	1.999	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cnc3n2CCC3)c1F	1602450268	RDMCCENSUYLTFQ-UHFFFAOYSA-N	304.281	1.424	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@H]2CCCCO2)cccc1C(=O)O	1607546227	FMSRURJMWFZSCW-GFCCVEGCSA-N	321.333	1.415	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C\c1nc(-c2nn[nH]n2)cs1	1609210243	HVGMNCHAMBJFIV-YVMONPNESA-N	303.351	1.146	50	20	DDGD	
O=C(NN=CCCc1ccc(F)cc1)[C@H]1CN2CCC[C@@H]2CO1	1549320024	KCVJHXWXSMRTOE-HZPDHXFCSA-N	319.380	1.724	50	20	DDGD	
O=C(NNc1cccc(F)c1C(=O)O)c1ccc2nccn2c1	1610700372	OQDIJYLAMCWQDD-UHFFFAOYSA-N	314.276	1.929	50	20	DDGD	
CC(CCN(C)C)=NNC(=O)[C@@H]1CCCO[C@@H]1c1nccn1C	1549312514	WNAROMZMZADIBZ-KGLIPLIRSA-N	321.425	1.332	50	20	DDGD	
COC[C@H](N)C(=O)NNc1ccccc1Oc1ccccc1	1579086871	IWGBETWUPCUEKZ-ZDUSSCGKSA-N	301.346	1.896	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCCCCN	1576285327	DZTIBQPGWRKODX-NSHDSACASA-N	311.357	1.260	50	20	DDGD	
CCOC(=O)Cc1csc(N/C=C(\C#N)C(=O)OCC)n1	7067417	LSFNBMGKGASEKK-VQHVLOKHSA-N	309.347	1.631	50	20	DDGD	
C[C@H](Oc1ccccn1)C(=O)NNc1ncccc1C(=O)O	1589168767	OZFVXXSDZQKBGF-VIFPVBQESA-N	302.290	1.085	50	20	DDGD	
N[C@@H]1CCCCC[C@@H]1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	1580367911	CNCWNSJOXWHORF-QWHCGFSZSA-N	320.349	1.263	50	20	DDGD	
CC(C)c1ccc(NNC(=O)c2cc(C(=O)O)nn2C)cc1	1588968242	HNINXHRCACGGMQ-UHFFFAOYSA-N	302.334	1.999	50	20	DDGD	
C#CCCCC(=O)NN=C1CCCc2cc(-c3nn[nH]n3)cnc21	1588341132	YWISHZHVPNMAPG-UHFFFAOYSA-N	323.360	1.222	50	20	DDGD	
CC[C@H](C)[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](F)Cl	1847830805	BTPXUWYMWQMVQA-UHFZAUJKSA-N	320.792	1.130	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H]1CCOC1)C2	1845168074	JVFRUTZPZLYBMI-NWDGAFQWSA-N	314.813	1.244	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1coc2cc(O)ccc12	1595262287	XAFVJKACPSCWJU-UHFFFAOYSA-N	313.269	1.989	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=C1CC[C@@H](C(=O)O)c2ccccc21	1776058088	FHHWNBRHNAWXMG-OAHLLOKOSA-O	324.360	1.457	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1cc(F)c(C(=O)O)cc1F	1777033704	BKZWCGUHZHXTDU-FPYGCLRLSA-N	316.285	1.419	50	20	DDGD	
C[C@@H]1Sc2ccc(C(=O)NNC(=O)C3CC3)cc2NC1=O	15794417	JUMNCDAWJAEMBC-ZETCQYMHSA-N	305.359	1.290	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2c(O)cccc2F)c(O)c1	162409305	QIDMGDHHHNETJG-UHFFFAOYSA-N	304.277	1.620	50	20	DDGD	
N#Cc1cccc(NNC(=O)Cn2cnc(-c3ccccc3)n2)c1	155237014	HZGANCRHGKRLAH-UHFFFAOYSA-N	318.340	1.960	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)[nH]1	156397096	FVAUFIOXYBSZCK-CYBMUJFWSA-N	315.329	1.233	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CSc1nnc(S)s1	266966515	PLOFQTOINMNOJH-UHFFFAOYSA-N	322.437	1.475	50	20	DDGD	
COCC[C@@H](C)NC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	101520487	XNGXYKGJOALGJL-DKTFCQPKSA-N	300.362	1.653	50	20	DDGD	
CCOC(=O)CC(=O)NNC(=O)c1ccc(Cl)cc1F	171770629	PJUVZCPYRHNPSE-UHFFFAOYSA-N	302.689	1.193	50	20	DDGD	
N#Cc1ccc(CCC(=O)NNC(=O)Cc2cccnc2)cc1	103424298	GKKWHQWPLJDCAQ-UHFFFAOYSA-N	308.341	1.276	50	20	DDGD	
Cc1cc(NNC(=O)Cc2cnn(-c3ccccc3)c2)nc(C)n1	172375084	XCDKJRFCZWKMDO-UHFFFAOYSA-N	322.372	1.965	50	20	DDGD	
CN(Cc1cccc(C#N)c1)C(=O)NNC(=O)Cc1cccnc1	103518993	DQTRIVCTVDNHHD-UHFFFAOYSA-N	323.356	1.369	50	20	DDGD	
COc1ccnc(C(=O)NNC(=O)Cc2ccccc2F)c1	116022550	GOCXFIHODXANHS-UHFFFAOYSA-N	303.293	1.233	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cccc(-n3cccn3)c2)n1	174474811	GBKQMPPZLNOKCY-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1cn(-c2ccccc2)nn1	118501441	DSOCFNZYTYZHQB-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@H]1COc2ccccc21	113460668	YVERBGCTCVHQOC-QMMMGPOBSA-N	303.240	1.055	50	20	DDGD	
O=S(=O)(NCCc1ncn[nH]1)c1ccc(CCl)cc1	306046890	OLIKZTTYYWJIAD-UHFFFAOYSA-N	300.771	1.065	50	20	DDGD	
Cc1nc(CCCC(=O)NNc2ncnc3nc[nH]c23)cs1	176165533	FPFJAXLFRHKOOU-UHFFFAOYSA-N	317.378	1.584	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)c2ccncc2)c(F)c1	129653663	KNERPCCESGJINI-UHFFFAOYSA-N	302.309	1.362	50	20	DDGD	
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NNC(=O)CC(C)C	31555953	RQKKNJZAUYCPDW-UHFFFAOYSA-N	315.351	1.259	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)C(F)(F)C1(O)CCC1	305756757	XAFYXFUQKZSBPX-UHFFFAOYSA-N	301.249	1.588	50	20	DDGD	
CN(NC(=O)c1cc2cc(Br)ccc2o1)C(N)=O	181056437	GZAQFRUJARCXJJ-UHFFFAOYSA-N	312.123	1.851	50	20	DDGD	
C[C@H](NC(=O)c1ccco1)C(=O)NNc1ccc(F)cc1F	72495466	WPXVBAAKYYXAJT-QMMMGPOBSA-N	309.272	1.819	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)C(=O)NNC(=O)NC1CCCCC1	181699140	HRGHAZYUOWZEMN-VIFPVBQESA-N	307.398	1.793	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C2C(C)(C)C2(C)C)c1	74823829	SUWJXTFRRROLLH-UHFFFAOYSA-N	319.405	1.937	50	20	DDGD	
CNC(=O)NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1ccc(C)cc1	214862596	ACUDDFMYTLVLDS-LFTLCWSBSA-N	315.329	1.289	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	184277930	GVVYQYZGSNJCCT-UHFFFAOYSA-N	310.357	1.887	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)C1[C@@H]2CCC[C@@H]12	129051795	JQCLOSCSHDOCRE-NXEZZACHSA-N	306.387	1.678	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2ccc[nH]2)cc1[N+](=O)[O-]	186386157	IESXYHCSBOOVTE-UHFFFAOYSA-N	303.278	1.698	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)CSCC(F)(F)F)n1	134028804	MYXGUVOQYUVHHG-UHFFFAOYSA-N	315.708	1.451	50	20	DDGD	
O=C(NCCOc1cccc(Cl)c1)NNc1ncccn1	47126884	JPHRNJAXYNGCDZ-UHFFFAOYSA-N	307.741	1.835	50	20	DDGD	
CC(C)N1CCC(NC(=O)NNC(=O)c2ccccc2O)CC1	43179466	RXAYYNJWPLKOHN-UHFFFAOYSA-N	320.393	1.209	50	20	DDGD	
O=C(CCCn1cccc1)NNC(=O)c1cccc([N+](=O)[O-])c1	130531913	RTLMGJKUQOIQKK-UHFFFAOYSA-N	316.317	1.638	50	20	DDGD	
COCC(=O)NNC(=O)N[C@@H](c1ccccc1)C(F)(F)F	133775090	KUHKQSJFALLCBL-JTQLQIEISA-N	305.256	1.267	50	20	DDGD	
Cc1ccc(CC(=O)NNc2nc3ccccc3c(=O)[nH]2)cc1	137144176	QKSBETOVNNTQDN-UHFFFAOYSA-N	308.341	1.917	50	20	DDGD	
Cc1cc(CCCC(=O)NNC(=O)c2cnn(C)c2)c(C)s1	84547666	MUECTVTZRPNCPH-UHFFFAOYSA-N	320.418	1.882	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H](C)n1cccn1	44668926	YJLJCSIGQZVKBZ-GHMZBOCLSA-N	320.324	1.198	50	20	DDGD	
O=C(CSc1nc2ccccc2o1)NNc1ncccn1	46577235	NBFUVIBDGOYKRY-UHFFFAOYSA-N	301.331	1.853	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)c1ccc2c(c1)CCC2	194346771	WXWWRIBONMLQTC-UHFFFAOYSA-N	304.346	1.914	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(N2CCCCCC2)nc1	194919419	KSFJFGJTPFMMPC-UHFFFAOYSA-N	305.382	1.378	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccnc(F)c2)c(F)c1	190299891	ANMPODJDEOCUGH-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
O=C(N/N=C1/C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)[C@H]1CCS(=O)(=O)C1	239667968	BSKGHDZYPWSQMD-CLPYTZEMSA-N	310.419	1.349	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)NC[C@H]1CCCCO1	144713213	DFQSJILDLWSYAM-CQSZACIVSA-N	321.377	1.355	50	20	DDGD	
CC1=NO[C@](C)(C(=O)N(C)NC(=O)OCc2ccccc2)C1	1120756190	VYGAQEUFWPQKBR-HNNXBMFYSA-N	305.334	1.841	50	20	DDGD	
CC(=NNC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(F)cc1	254494306	MZWKPCWOXRQCCB-UHFFFAOYSA-N	324.319	1.955	50	20	DDGD	
Cn1c(=NNC(=O)CC2CCOCC2)sc2ccccc21	255328626	HRHOVKKCGQNYGQ-UHFFFAOYSA-N	305.403	1.988	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNC(=O)NC2CC2)cc1OC	268149277	LJFJLIKYXFOJTM-UHFFFAOYSA-N	321.377	1.474	50	20	DDGD	
COC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)NCc2ccco2)C1	266851911	PQFGNYVTBIUROP-MNOVXSKESA-N	323.349	1.089	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2n[nH]cc2C1)c1cc2ccccc2o1	362721702	BPQQKKLBBJIZOD-NSHDSACASA-N	324.340	1.722	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CC(C)(C)OC)cc1	278184511	CWSFUXDFLVFKIY-UHFFFAOYSA-N	308.378	1.590	50	20	DDGD	
O=C1CCC[C@H](C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])N1	270255117	NYRDHFVQOWYVIP-SECBINFHSA-N	312.713	1.360	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC2CC2)c1Br	270275573	XBWULULFTKERLB-UHFFFAOYSA-N	312.167	1.864	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@@H](NC(=O)NNC(=O)c2ccccc2C)C1(C)C	271759088	DIMPUXSFOJBTOY-MRVWCRGKSA-N	319.405	1.999	50	20	DDGD	
COc1cccc(NNC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)n1	272514190	JTWSQQZKGCSQDB-BMIGLBTASA-N	315.329	1.762	50	20	DDGD	
CC(C)(C)OC(=O)NNS(=O)(=O)c1csc(C(=O)O)c1	274048726	FVVDWLGFDOFZIZ-UHFFFAOYSA-N	322.364	1.164	50	20	DDGD	
CCCc1cc(NC(=O)C(=O)NN(C)c2ccccc2)n(C)n1	275623744	BAANFYIRUZXZCH-UHFFFAOYSA-N	315.377	1.479	50	20	DDGD	
CCOCCOCc1cccc(NC(=O)NNC(C)=O)c1C	274188971	LUJPIHIRCOCSBX-UHFFFAOYSA-N	309.366	1.721	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2csc(NC3CC3)n2)n1	279742154	AWMAFHJKFSFGAD-UHFFFAOYSA-N	317.374	1.496	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)C(=O)N2CCC(C)CC2)n1	282988598	QCNYINCDTUPFMY-UHFFFAOYSA-N	311.773	1.140	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)C2C[C@H]3CCC[C@H](C2)C3)n1	370501587	YBNDIBCRKBOXMV-KBPBESRZSA-N	318.421	1.864	50	20	DDGD	
COC(=O)N(C)NC(=O)COc1ccccc1Br	286207025	DWGWQLXIYOURAM-UHFFFAOYSA-N	317.139	1.557	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1ncc(F)cc1F	296883464	IBQMGJWCWVHHDF-UHFFFAOYSA-N	302.281	1.329	50	20	DDGD	
COC[C@H](NC(=O)NNc1ccc2c(=O)[nH]ccc2c1)C(C)C	806860014	FECDRJLUVXIGDJ-AWEZNQCLSA-N	318.377	1.825	50	20	DDGD	
CCc1cnc(CNC(=O)NNC(=O)[C@H]2CCCCO2)s1	296344443	FVROMUZZISVCDV-SNVBAGLBSA-N	312.395	1.105	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccccc1N1C[C@H](C)O[C@@H](C)C1	298693986	UMCQGFJCOOPMOE-QWRGUYRKSA-N	322.365	1.693	50	20	DDGD	
CC(C)(C)[C@H](NC(N)=O)C(=O)NNc1ccc(C#N)c(Cl)c1	298935589	MYMBDZPDVIFEQY-LLVKDONJSA-N	323.784	1.738	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)cn1	802120265	NKBDQCJPKUQDBR-UHFFFAOYSA-N	323.356	1.595	50	20	DDGD	
O=C(NC[C@@H]1COc2ccccc21)NNc1ncncc1Cl	808367700	SQLINCGBYHGSFL-SECBINFHSA-N	319.752	1.932	50	20	DDGD	
NC(=O)NNc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1	800722127	WJALUBGGEDRDHX-UHFFFAOYSA-N	305.319	1.136	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1ccc2c(c1)C(=O)OC2	808893086	SICPRGBDMFOVSR-UHFFFAOYSA-N	312.285	1.219	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@H]1CCOc2ccccc21	802033727	LJUUJYIBGVPDBW-ZDUSSCGKSA-N	312.329	1.223	50	20	DDGD	
O=C(NNc1ncccc1F)[C@@H]1CC(c2cccnc2)=NO1	804219599	BDYTUIPNMMZALQ-LBPRGKRZSA-N	301.281	1.252	50	20	DDGD	
O=C(CSC1CC1)NNc1nnc(-c2ccccn2)s1	295054520	AVACKDDQFZNHRV-UHFFFAOYSA-N	307.404	1.939	50	20	DDGD	
CC[C@H](C)CONC(=O)NNC(=O)COc1ccc(C)cc1	291912491	QUWHMKMAEOEEES-NSHDSACASA-N	309.366	1.682	50	20	DDGD	
Cc1nc2ccc(NC(=O)NNc3ncc(F)cn3)cn2n1	809896593	BVEUXXPJDLDCMG-UHFFFAOYSA-N	302.273	1.115	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccccc1OCC1CC1	295274857	CELMEXMKUMJNLA-OAHLLOKOSA-N	318.373	1.806	50	20	DDGD	
CCc1ccc(C(=O)NNS(=O)(=O)c2ccc(C#N)o2)cc1	808070566	YVYVQTOQJSWNCG-UHFFFAOYSA-N	319.342	1.337	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H](c2cncn2C)N(C)C)cc1	294330304	LZGDAZWWYJKXCG-OAHLLOKOSA-N	317.393	1.565	50	20	DDGD	
CCOc1ccc(CNC(=O)NNC(=O)[C@H]2CCCCO2)cc1	297225398	MYNWSPBJJYQLLO-CQSZACIVSA-N	321.377	1.485	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NNC(=O)CC2CC2)cc(C#N)n1C	294104385	JJZZDFPNJWADAV-AWNIVKPZSA-N	311.345	1.060	50	20	DDGD	
CC(C)(C)CC(=O)NCC(=O)NNc1ncc(F)cc1F	296934513	LXBCZXXYOWTFGG-UHFFFAOYSA-N	300.309	1.355	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(C(C)C)cn1	290710386	KGJYKPJOILRRKR-UHFFFAOYSA-N	323.393	1.755	50	20	DDGD	
COC(=O)[C@@H]1C[C@H]2CC(=NNC(=O)Cc3ccncc3)[C@H]1C2	817325256	CLXCCHGTZAQTKZ-RWMBFGLXSA-N	301.346	1.315	50	20	DDGD	
O=C(CCc1ncccn1)NNc1ccnc(Br)c1	812547754	BXKXFPCMKDQJBS-UHFFFAOYSA-N	322.166	1.710	50	20	DDGD	
CC(C)(O)C(=O)NN=C1COc2ccc(Br)cc21	814908433	BPDNHULYCRYOLT-UHFFFAOYSA-N	313.151	1.433	50	20	DDGD	
CC(=NNC(=O)CO)c1sc(Cc2ccccc2)nc1C	814896316	SMCDWEKTTHHPRK-UHFFFAOYSA-N	303.387	1.875	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(OC)cc1OCC(C)C	816562621	SDXXDZPJLGLKSI-UHFFFAOYSA-N	310.394	1.953	50	20	DDGD	
COCC(=NNC(=O)C(=O)N1CCCC1)c1cccc(Cl)c1	814824771	KCBQTNOAFCPFOH-UHFFFAOYSA-N	323.780	1.429	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1ccc2oc(S)nc2c1	816808138	DGWNQAYKDQKGCN-UHFFFAOYSA-N	314.326	1.586	50	20	DDGD	
Nc1ccc([N+](=O)[O-])cc1C(=O)NNc1cccc(Cl)n1	817006542	NQNZLMWQQIJYQC-UHFFFAOYSA-N	307.697	1.982	50	20	DDGD	
O=C(NNc1ncncc1F)c1cncn1-c1ccc(F)cc1	817077741	PFMBFHONMVNNEJ-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
C[C@H](NC(=O)c1ccccc1)C(=O)NNc1cccc(Cl)n1	817005005	ZZRTVVNBDAHGHD-JTQLQIEISA-N	318.764	1.997	50	20	DDGD	
O=C1CCC(=NNC(=O)N=c2cc[nH]cc2)c2ccccc2N1	815000549	LGAZHMSPESBCAP-UHFFFAOYSA-N	309.329	1.762	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)[C@H]1CCCSC1	810423703	FKDQFEPOTZTAFH-ZDUSSCGKSA-N	308.403	1.494	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccc(Cl)cc1F)c1ccccc1	813362266	NHCAMSPHNOVIEW-CYBMUJFWSA-N	322.723	1.974	50	20	DDGD	
CCC[C@@H]1C[C@H]1C(=O)NNC(=O)CNc1ccc(OC)cc1	812455977	KICRCLYGWBCQJM-BXUZGUMPSA-N	305.378	1.691	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H](C)c1cccc(Br)c1	812533500	BKVJNDKPNJCYNL-QMMMGPOBSA-N	314.183	1.903	50	20	DDGD	
CSCc1cccnc1C(=O)NNC(=O)NCc1ccco1	810584192	NXLHJKRSQSNOFJ-UHFFFAOYSA-N	320.374	1.682	50	20	DDGD	
CCn1c(C)cc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1C	728226618	VEUCWEAQEQAWFB-GFCCVEGCSA-N	311.407	1.010	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)c1cccc2cccnc12	822877623	ADVBZUAMKFKXIS-ZDUSSCGKSA-N	301.346	1.811	50	20	DDGD	
COC(=O)N(C)NC(=O)C1(CNC(=O)OC(C)(C)C)CC1	497147632	NZCDNNQMIJMKMD-UHFFFAOYSA-N	301.343	1.021	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)/C=C\c2ccccc2C#N)c1	728828170	JIRSTBLLSLMGFH-HJWRWDBZSA-N	316.320	1.904	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(-c3nn[nH]n3)cn2)cc1	821837609	DYTGWDXPJYZAEE-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
CC(C)(F)CCNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	822094520	RKFLKPPHBUWECY-UHFFFAOYSA-N	312.301	1.677	50	20	DDGD	
CC(C)CCn1nccc1NC(=O)NNC(=O)c1cc[nH]n1	822762282	CKFGQGBEKUEIRF-UHFFFAOYSA-N	305.342	1.119	50	20	DDGD	
COC(=O)[C@H](CNC(=O)/C(C#N)=C\c1cnn(C)c1)CC(C)C	491176471	PUMKKVULHAKBAC-XMRSSTEGSA-N	318.377	1.279	50	20	DDGD	
COCc1cccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1	826164797	QONXHCAMIAJFFA-UHFFFAOYSA-N	324.344	1.770	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)CCCc1ccccc1)C(=O)O	826585533	NKLWYKLMKWUCBW-UHFFFAOYSA-N	321.377	1.451	50	20	DDGD	
O=C(/C=C/[C@H]1CCOC1)NNc1cccc(Br)n1	493042851	CXWUHHONGDPHQC-MOVJSRMASA-N	312.167	1.880	50	20	DDGD	
Cc1c(C(=O)Nc2cccc(B(O)O)c2)cnn1C1CCCC1	584912392	NBAVUBKFOOKHPX-UHFFFAOYSA-N	313.166	1.239	50	20	DDGD	
O=C(Cn1nc(C(F)F)cc1C1CC1)NN=c1cc[nH]cc1	821788241	KGIUWXHXAUBTHE-UHFFFAOYSA-N	307.304	1.658	50	20	DDGD	
CO[C@](C)(C(=O)NNc1nc(C)cc(C)n1)C(=O)OC(C)(C)C	820523927	UVIAKCWBCLGQGS-OAHLLOKOSA-N	324.381	1.283	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)Cc1cc(F)ccc1Br	823946755	OALUCDILYMOAFN-MRVPVSSYSA-N	319.174	1.475	50	20	DDGD	
COC(=O)N1CCN(C(=O)[C@@H](Br)C(C)(C)C)CC1	495448269	NCHXCLGMCCISHN-SECBINFHSA-N	321.215	1.707	50	20	DDGD	
COCCOCCOC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	729094593	CUFBPWPJZIVQHO-RIYZIHGNSA-N	317.345	1.318	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cnc(Oc2ccccc2)cn1	823939311	IXBVSQXTDGTARG-LLVKDONJSA-N	302.334	1.226	50	20	DDGD	
N#Cc1cccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1	826386398	BYKIEANQWJUNKD-UHFFFAOYSA-N	305.301	1.495	50	20	DDGD	
CC(C)[C@H](CNCc1ccccc1B(O)O)Nc1ccccc1	585015185	RXTVYMKJEHTKLN-SFHVURJKSA-N	312.222	1.593	50	20	DDGD	
CC(C)CCO[C@@H]1CCCC[C@H]1NCc1ccc(B(O)O)o1	585038527	BGAMIFYIDIELMP-HUUCEWRRSA-N	309.215	1.423	50	20	DDGD	
CNC(=O)/C(C#N)=C/c1cn(-c2ccc(F)c(Cl)c2)nn1	490844468	QKSTXPFMDDTJSM-XBXARRHUSA-N	305.700	1.713	50	20	DDGD	
O=C(c1cccc(NCc2ccc(B(O)O)cc2)c1)N1CCCC1	585013408	UEBZYMHFQRVYKE-UHFFFAOYSA-N	324.189	1.215	50	20	DDGD	
C[C@@H](NCc1ccc(B(O)O)cc1F)c1nc(C(C)(C)C)no1	585038054	QVZOKYWGTQWMJH-SECBINFHSA-N	321.161	1.037	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccc(Cn2cncn2)c1	494474525	XWPKEALTPXNIPH-UHFFFAOYSA-N	304.310	1.109	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1cc(C(=O)O)cs1	490879677	RXSIDPVLDBXTBW-POHAHGRESA-N	308.359	1.896	50	20	DDGD	
CNC(=O)c1ccc(C(=O)NNc2ccc(F)cc2F)cn1	733361979	KYESMVJQVIJBOW-UHFFFAOYSA-N	306.272	1.476	50	20	DDGD	
COCc1cc(CNCc2ccc(B(O)O)cc2F)ccc1F	585022325	WZBZPEZNLLKAFM-UHFFFAOYSA-N	321.132	1.081	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)CCc1ccccc1F	732204636	PWTLIAQJCDGXGW-CYBMUJFWSA-N	323.412	1.882	50	20	DDGD	
CC(=NNC(=O)N(C)C)c1ccc(S(=O)(=O)C(F)F)cc1	735229799	RLOYLTSRCGNLFB-UHFFFAOYSA-N	319.333	1.678	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C1CC1	490784097	WQXXRYFQQINGPN-RSKUSDAESA-N	323.393	1.850	50	20	DDGD	
CCCNC(=O)NN=C(C)CS(=O)(=O)c1ccc(C)cc1	734295464	BSIDRVFUZXMDOS-UHFFFAOYSA-N	311.407	1.854	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1cncc(C)c1	495332003	SRQSEHCXQICVIQ-UHFFFAOYSA-N	306.366	1.755	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCSCC(=O)O	833016976	PKIVQFBOIUNARG-UHFFFAOYSA-N	319.814	1.286	50	20	DDGD	
CCCN1CCC[C@@H]1C(=O)NNc1ccc(C(=O)OC)c(F)c1	837051512	LCFGCAYJDXFHIV-CQSZACIVSA-N	323.368	1.930	50	20	DDGD	
C[C@]1(C(=O)N2CCC(OCCO)CC2)C[C@H]1Br	907139369	OMRGMGZBMPSVTR-PWSUYJOCSA-N	306.200	1.160	50	20	DDGD	
C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)c2cccc(B(O)O)c2)C1	584988784	UETJHGGXICBIQR-KSSFIOAISA-N	323.201	1.980	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H]2C[C@H]2c2ccccc2OC)n1	839517150	ORBXCTVKCHPXTG-NWDGAFQWSA-N	314.345	1.741	50	20	DDGD	
CC[C@@H](C)[C@H](C=NNC(=O)c1cncc(NC(C)=O)c1)OC	834964410	CEMLQLWMUBNFRV-YGRLFVJLSA-N	306.366	1.817	50	20	DDGD	
O=C(Cc1ccccc1C(F)(F)F)N1CC[C@@H](B(O)O)C1	585068939	IVKKQPYBLLSRDU-SNVBAGLBSA-N	301.073	1.323	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H]1CN1CCCC1	731850031	LMRSVFBDQCKWOA-HUUCEWRRSA-N	324.469	1.129	50	20	DDGD	
CCn1nc(C2CC2)cc1C(=O)NNc1cccc(OC)n1	907259250	VWUPIANQORVRBK-UHFFFAOYSA-N	301.350	1.941	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1ccc(O)cc1Cl	905463446	XHCOXPJCBLMJLJ-UHFFFAOYSA-N	310.785	1.727	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC2(CCOCC2)[C@@H]2CCC[C@@H]21	831717545	OWDOPNQKQWUASQ-KGLIPLIRSA-N	323.437	1.071	50	20	DDGD	
C[C@@H]([C@@H]1Cc2ccccc21)N(C)C(=O)c1ccc(B(O)O)cc1	585007942	DELNEELNLJQWNZ-SJCJKPOMSA-N	309.174	1.167	50	20	DDGD	
CC(C)[C@H]1N(C(=O)c2ccc(B(O)O)c(F)c2)CC12CCCC2	584998655	GIRMHBXIOPCFKM-OAHLLOKOSA-N	319.185	1.546	50	20	DDGD	
CCn1cc(C=NNC(=O)[C@@H](C)CN2C[C@H](C)O[C@H](C)C2)cn1	732528029	CUWARFIPICTTFF-MELADBBJSA-N	321.425	1.098	50	20	DDGD	
O=S(=O)(CCl)NCCc1nc(-c2ccncc2)cs1	830349535	YRPSGLNFAHKCOE-UHFFFAOYSA-N	317.823	1.863	50	20	DDGD	
Cc1ccc(C)c2c1NC(=O)C2=NNC(=O)[C@H]1CCCCO1	834988294	IEAYITJHVPSPLE-LLVKDONJSA-N	301.346	1.645	50	20	DDGD	
O=C(c1ccc(NCc2ccccc2B(O)O)cc1)N1CCCC1	585039084	NGFYYUGUDAZZMZ-UHFFFAOYSA-N	324.189	1.215	50	20	DDGD	
COCc1ccccc1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	831235746	MFJFNIXDTQNOMI-JQWIXIFHSA-N	307.350	1.411	50	20	DDGD	
CN(CC(=O)NNC(=O)C1CC1)[C@@H]1CCC[C@H]1c1ccccc1	839175890	RXVXWTIJEOYLBO-JKSUJKDBSA-N	315.417	1.812	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)[C@H](C)N1CCN(C)CC1	836933268	CBIVABXEQJYAHP-LBPRGKRZSA-N	310.829	1.727	50	20	DDGD	
CC[C@@H]1CCCN1CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	839480632	SGZGSGQCIPWFJG-GFCCVEGCSA-N	320.349	1.230	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1)N[C@@H]1CC12CCNCC2	831174251	XPIOOZZZOQSGJW-GFCCVEGCSA-N	322.796	1.426	50	20	DDGD	
CC1(C)CN(C(=O)[C@]2(C)C[C@@H]2Br)C[C@H](CO)O1	911175922	HSKHRJHJZFCPOP-VDDIYKPWSA-N	306.200	1.158	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CS[C@@H](C)CC(=O)O)cc1	738260238	KMRWRDYHTXROJA-JTQLQIEISA-N	310.375	1.352	50	20	DDGD	
CC(C)c1ccc(NNC(=O)Cn2cc([C@H](C)O)nn2)cc1	837054789	WFTYRENEQNYXKF-NSHDSACASA-N	303.366	1.598	50	20	DDGD	
Cc1ccc(NNC(=O)Cn2c(C)cc(C)nc2=O)c(Cl)c1	836937226	FHIKZHOPDHBWHY-UHFFFAOYSA-N	320.780	1.965	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@H](C)C2CCC2)c1	837311396	UTHFUTCCXXJHFT-SNVBAGLBSA-N	306.362	1.901	50	20	DDGD	
O=C(NNc1ccc(F)cc1Cl)N[C@H]1CCS(=O)(=O)C1	913833781	LPERVTXXMVGGAI-QMMMGPOBSA-N	321.761	1.292	50	20	DDGD	
O=C(NNC(=O)c1ccc(C(=O)O)c(F)c1)c1ccccc1	833149187	HMEMVCXDPSYQFR-UHFFFAOYSA-N	302.261	1.599	50	20	DDGD	
CCOCc1cccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	831412012	KFKNWFLFAIHTBA-RISCZKNCSA-N	321.377	1.801	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1CC(=O)NNC(=O)Cc1ccc(Cl)cc1	746097804	BBWLJIKPPKJYOU-TXEJJXNPSA-N	323.824	1.903	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NC[C@@H]1CCCCN1)c1ccccc1	841921927	MVWOZFFYEGFINQ-AWEZNQCLSA-N	318.421	1.437	50	20	DDGD	
CC(C)C1(C)CCN(C(=O)NNC(=O)c2ncccn2)CC1	841592281	MPNTVCRHKJYFBC-UHFFFAOYSA-N	305.382	1.589	50	20	DDGD	
O=C(CCn1ccccc1=O)NNc1cc(F)c(F)c(F)c1	746706666	GXUGCNCPSYCLEO-UHFFFAOYSA-N	311.263	1.799	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@@H](C#N)CC	845078767	ZBXHWTOVTVRYKK-LLVKDONJSA-N	305.334	1.161	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNc1ccc(CC(=O)OC)cc1	846375804	KRUOPJXMQSUXBV-NEPJUHHUSA-N	308.378	1.764	50	20	DDGD	
COc1ccc(OC)c(C(=O)NNc2ncnc3[nH]cnc23)c1	740746159	MMRLDVFGUWXGEF-UHFFFAOYSA-N	314.305	1.127	50	20	DDGD	
Cc1occc1CNC(=O)NNC(=O)c1cccc(N(C)C)c1	919782146	KGMKKAAULJPPOG-UHFFFAOYSA-N	316.361	1.798	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(OCc2ccccc2)nc1	910166032	QOCUAEREHNQJEF-ZDUSSCGKSA-N	315.373	1.618	50	20	DDGD	
CC(C)=CC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	743829349	MQDICGHXHQWVPK-UHFFFAOYSA-N	311.363	1.209	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cccc(-n3cccn3)c2)n1	740103225	XKAVFUVJWHMJFG-UHFFFAOYSA-N	323.360	1.485	50	20	DDGD	
O=C(CNC(=O)c1cccc(Cl)c1)NNC(=O)C1CCCC1	914868166	DSXWAOBOGYGZKT-UHFFFAOYSA-N	323.780	1.407	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1	919786317	SPHYHRFOBVPPPL-UKRRQHHQSA-N	318.421	1.808	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc3cc(F)ccc3[nH]2)n1	914763236	DBDWLDCYVALNLL-UHFFFAOYSA-N	301.281	1.863	50	20	DDGD	
Cc1cc(C=NNC(=O)CCNC(=O)OC(C)(C)C)nn1C	841634734	YAEKCCSQRDZHLP-UHFFFAOYSA-N	309.370	1.093	50	20	DDGD	
CC(C)(C)N1C[C@H](C(=O)NNc2cccc([N+](=O)[O-])c2)CC1=O	747999850	CNEOQUCZHPNJTE-SNVBAGLBSA-N	320.349	1.685	50	20	DDGD	
COC(=O)Cc1ccccc1CNC(=O)NNC(=O)C1CCC1	847468798	GZDQERSNYKSHPZ-UHFFFAOYSA-N	319.361	1.033	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1CCO[C@@H](c2ccccc2)O1	847391695	FPTPFOKISBWAOW-DZGCQCFKSA-N	321.377	1.621	50	20	DDGD	
O=C(NNc1ccc(Cl)c(C(F)(F)F)c1)[C@]1(O)CCOC1	846377658	YXMSUTYNKYMLEV-NSHDSACASA-N	324.686	1.953	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNC(=O)COc1cc(C)cc(C)c1	841375214	BXETYQDIDWKGBB-OAHLLOKOSA-N	322.405	1.891	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cnccc1C(F)(F)F	847065334	XSSDDGJAWFHECN-JTQLQIEISA-N	317.267	1.431	50	20	DDGD	
C[C@@H]1C[C@H](CNC(=O)NNc2nc3ccccn3n2)[C@@H](C)O1	840434695	SDWMDHJXGBJPSU-GMTAPVOTSA-N	304.354	1.169	50	20	DDGD	
C[C@H](SCc1ccccc1)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843644129	JXLQEDDJVUGIBK-DYEKYZERSA-N	322.430	1.881	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccc(C#N)s2)cc1	749332509	APMMIKSUXBVZDF-UHFFFAOYSA-N	315.354	1.768	50	20	DDGD	
CN(C)C1(CNC(=O)NC[C@@]2(C)C[C@@H]2Br)CC1	922984314	ZFLHGJINBKDVRF-GXSJLCMTSA-N	304.232	1.553	50	20	DDGD	
COCc1cc(C(=O)NC[C@@]2(C)C[C@H]2Br)no1	857397774	MIYFMBQRYINDNE-MWLCHTKSSA-N	303.156	1.724	50	20	DDGD	
Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NNC(=O)CC(F)(F)F	854997713	RLLMIYDHGMYZNM-UHFFFAOYSA-N	323.202	1.756	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Nc2cccnc2OC)nc1	758510349	FJOVCMXMZRLKOC-UHFFFAOYSA-N	317.305	1.420	50	20	DDGD	
Cc1nn(C)cc1CC(=O)NC[C@@]1(C)C[C@@H]1Br	857385825	MGWICTFGNFYFKK-CMPLNLGQSA-N	300.200	1.561	50	20	DDGD	
Cc1cccnc1NNC(=O)Cc1ccc(-n2cnnc2)cc1	857494007	OLWAEEUVPCRSHR-UHFFFAOYSA-N	308.345	1.657	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=Cc1ccccc1C1CC1	751134288	XAHXESZKCKFMDB-UHFFFAOYSA-N	312.329	1.458	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1nccc2occc12	855092759	AZGCOHADUYNWDS-UHFFFAOYSA-N	304.375	1.737	50	20	DDGD	
C[C@H](CBr)COC(=O)/C=C\c1ccc(C(N)=O)o1	853928041	HUCFCKRXAPUOQD-QIUOEGRZSA-N	316.151	1.966	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNC(=O)c1ccc(Cl)nc1	759363129	VZJMXKKJQZZIAN-UHFFFAOYSA-N	319.752	1.471	50	20	DDGD	
CC(C)(C)n1cc(C=NNC(=O)CNC(=O)c2ccco2)cn1	750936242	HCEOZCHCKUMSDL-UHFFFAOYSA-N	317.349	1.111	50	20	DDGD	
CC(C)OCCC(=O)NNC(=S)NCCc1cccs1	753078535	PICFGUXKCDJARI-UHFFFAOYSA-N	315.464	1.601	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1Cl	928340854	GJKBKQQKYGQKQJ-QMMMGPOBSA-N	305.787	1.029	50	20	DDGD	
Cc1nc(SCC(=O)NC[C@@]2(C)C[C@H]2Br)n[nH]1	857396519	DBUMACUMFRLPOJ-GMSGAONNSA-N	319.228	1.495	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2ccc3c(c2)OCO3)CCCO1	755391184	CJKVQSMRIIYCHW-UHFFFAOYSA-N	304.302	1.261	50	20	DDGD	
CCC[C@H]1C[C@@H](C(=O)NNC(=O)OCC(F)(F)F)CCO1	856023137	ZVLLEQAGIZNGAE-IUCAKERBSA-N	312.288	1.901	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@H](CO)CC2)C[C@@H]1Br	856958902	PJVSMJLESHSTNT-GMXVVIOVSA-N	319.243	1.964	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccccn2)cnn1CCC(C)C	750039390	ZHVQILFQBUIAJM-UHFFFAOYSA-N	315.377	1.707	50	20	DDGD	
CCOCCn1cc(C(=O)NNC(=O)CC2CCCC2)cn1	857093280	VLFUZXJQHAFOOJ-UHFFFAOYSA-N	308.382	1.261	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)c1ccc(CCCCl)cc1	751263234	IVCHBEMENQDSAE-UHFFFAOYSA-N	318.826	1.824	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H]1Br	857733678	MJFVQDMGFAAKTL-XVKPBYJWSA-N	302.128	1.826	50	20	DDGD	
COCc1ncc(C(=O)NNC(=O)OCC(F)(F)F)s1	856018820	HOCXXCGWCFJQFJ-UHFFFAOYSA-N	313.257	1.223	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C(C)c2nccn2C)c1	755536863	QGYBBVZXRJJNJI-UHFFFAOYSA-N	302.334	1.591	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)CCCc1ccccc1	854280542	VULTXYWYSCTART-UHFFFAOYSA-N	323.462	1.883	50	20	DDGD	
Cc1noc(C)c1C(C)(C)C(=O)NNC(=O)OCC(F)(F)F	856020778	TWZITGAWHQHYRS-UHFFFAOYSA-N	323.271	1.889	50	20	DDGD	
Cn1nc(CNC(=O)NNC(=O)CC(C)(C)C)cc1C1CC1	927650098	LTKXVLDJNOTJAA-UHFFFAOYSA-N	307.398	1.564	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NOCCN1CCCC1=O	856039030	QHFYPACCHLZMQZ-RAXLEYEMSA-N	317.320	1.403	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1C[C@@H](C)C(F)(F)[C@H](C)C1	858572144	OQEADUQSLMAFBO-ZNSHCXBVSA-N	319.352	1.375	50	20	DDGD	
N#CSCCCNC(=O)Cn1cc(C(N)=O)c2ccccc21	854362390	MJQIPUJXGSWOPF-UHFFFAOYSA-N	316.386	1.461	50	20	DDGD	
Cc1nnccc1C(=O)NNc1ccc(Br)nc1	753793663	GCSCOFJFEDNUDZ-UHFFFAOYSA-N	308.139	1.699	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCn2ccnc2)c1C	855627255	IQVOUSQNTPQMAF-UHFFFAOYSA-N	302.334	1.512	50	20	DDGD	
CCC(=NNC(=O)CCCNC(=O)C(C)(C)C)c1nccn1C	853407046	CRDLXULVASBCOL-UHFFFAOYSA-N	321.425	1.593	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@@H](O)C(F)(F)F)C[C@H]1Br	856950804	IZNMQBMTRQKAFJ-ATRFCDNQSA-N	319.121	1.382	50	20	DDGD	
C[C@@]1(CNC(=O)CCCS(C)(=O)=O)C[C@H]1Br	857399250	VPSHXMQSURNHSX-SCZZXKLOSA-N	312.229	1.101	50	20	DDGD	
O=C(COC(=O)[C@H]1C[C@H]1C1CC1)NNC(=O)c1ccccc1	751749718	ZXKHUIDEGMSAQB-STQMWFEESA-N	302.330	1.037	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccc(F)c(F)c1F	755363028	AZABBHNPYNMRFH-UHFFFAOYSA-N	313.239	1.602	50	20	DDGD	
COC(=O)c1ccc(C(C)=NNC(=O)Cc2cccnc2)cc1	767784558	DEBKWJBNVOZPJS-UHFFFAOYSA-N	311.341	1.951	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(S)n1)c1cncc(C)c1	767361058	OFTWWEBETAMHPK-UHFFFAOYSA-N	317.374	1.257	50	20	DDGD	
COc1ccc2nc(C=NNC(=O)[C@H]3CCC(=O)N3)sc2c1	863152957	JQUNDNCMGDSWHN-SNVBAGLBSA-N	318.358	1.034	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)c([N+](=O)[O-])c1	768332042	NDORYFPMAOJOKA-GIPNMCIBSA-N	307.306	1.614	50	20	DDGD	
CNC(=O)c1cccc(NC(=O)NNC(=O)C(C)(C)C)c1C	769947937	MELPHJINNXWVQC-UHFFFAOYSA-N	306.366	1.553	50	20	DDGD	
CSC1CCN(C(=O)NNC(=O)c2ccc(C#N)cc2)CC1	868176194	MBYMOPFJLQPOSL-UHFFFAOYSA-N	318.402	1.740	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](C(=O)NNC(=O)c2cccc(C#N)c2)CCO1	931934874	HBXRBUWIHZPTLV-GJZGRUSLSA-N	315.373	1.770	50	20	DDGD	
Cn1nc2c(c1C(=O)NNC(=O)c1cccc(C#N)c1)CCCC2	765417236	PDUFYXNORIKCDI-UHFFFAOYSA-N	323.356	1.245	50	20	DDGD	
COCCCOc1cccc(C(=O)NNC(=O)NC(C)C)c1C	930998289	ZZLQRMVQFMXNAJ-UHFFFAOYSA-N	323.393	1.763	50	20	DDGD	
CCO[C@H](CC)C(=O)NNC(=O)CSc1ccccc1O	764045949	FREHNAZBRQJNRZ-LLVKDONJSA-N	312.391	1.447	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(Cl)nc(Cl)c1	764465492	YGQFLXPOJRMSFK-UHFFFAOYSA-N	314.132	1.944	50	20	DDGD	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NNC(=O)C(C)(C)O	768262426	WJKWARUAUPYHLM-AGIUHOORSA-N	314.426	1.382	50	20	DDGD	
O=C(NNc1ncc(F)cn1)C(=O)c1ccc(Cl)s1	760487696	PKFGQEUYFPNNOV-UHFFFAOYSA-N	300.702	1.657	50	20	DDGD	
CC(C)N1C[C@@H](NC(=O)[C@@H](Br)C(C)(C)C)CC1=O	767932602	DPQMLKMTCYBUOG-GXSJLCMTSA-N	319.243	1.922	50	20	DDGD	
Cc1[nH]c2ccc(F)cc2c1C=NNC(=O)[C@@H]1CCC(=O)N1	863147922	PBTIXZHXSITYPR-ZDUSSCGKSA-N	302.309	1.344	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)c1cnc2nccnc2c1	760341679	SVZPQECLCVMHSF-UHFFFAOYSA-N	300.709	1.830	50	20	DDGD	
CCc1cccnc1C(=O)NNC(=O)Cn1cnc2ccccc21	766555123	LXNZEHJKYQPYQM-UHFFFAOYSA-N	323.356	1.455	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccn(CC(F)(F)F)n1	1358320286	JNWYQMMNJBHQOM-UHFFFAOYSA-N	318.177	1.159	50	20	DDGD	
Cc1nc([C@@H]2COCCN2C[C@@H](C)CBr)no1	770669393	VOKOKEFFCJAOTA-WPRPVWTQSA-N	304.188	1.782	50	20	DDGD	
CCOc1cnc(C(=O)NNc2ccccc2C(=O)OC)cn1	779050984	SKIAXRIIXJJTJP-UHFFFAOYSA-N	316.317	1.419	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)CCc1ccccc1)[C@H]1CCCO1	773556568	GXSHMWVALGEBBV-HUUCEWRRSA-N	315.373	1.130	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CC(C)(C)Oc2cc(F)ccc21	779822275	BROQCKJPPPHEGR-UHFFFAOYSA-N	323.324	1.563	50	20	DDGD	
CC(=O)N[C@H](CC1CCC1)C(=O)NNc1nc2ccccc2[nH]1	870212014	JODJBULRUBYWFP-CQSZACIVSA-N	315.377	1.701	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C	870396772	PLVVSZGNNWOXMD-ZGDCTCODSA-N	323.393	1.944	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)OCCc2cn[nH]c2)cc(C#N)n1C	770767911	YFOBQVSQKIHUEB-LHHJGKSTSA-N	309.329	1.621	50	20	DDGD	
C[S@](=O)c1cccc(C(=O)NNC(=O)CC(F)(F)F)c1	770224325	YZGNLMUVNPGFRQ-FQEVSTJZSA-N	308.281	1.137	50	20	DDGD	
C[C@H]1CCC[C@H](OCC(=O)NNC(=S)Nc2ccccn2)C1	874956618	JOLKRYWPLXDOJO-RYUDHWBXSA-N	322.434	1.995	50	20	DDGD	
Cc1ccc(C[C@@H](C)C(=O)NNC(=O)C2CCOCC2)cc1	883067838	XQYZVHWAJHBMTD-CYBMUJFWSA-N	304.390	1.748	50	20	DDGD	
C[C@H](CCNC(=O)NNc1ccc(C#N)cn1)N1CCCCC1	888797829	SEJKWVNFPOPCRB-CYBMUJFWSA-N	316.409	1.844	50	20	DDGD	
COc1cccc(NC(=S)NNC(=O)[C@H]2CCCCO2)c1	772219271	SGXJLRADRXEERO-GFCCVEGCSA-N	309.391	1.582	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)CCc1ccccc1)[C@@H]1CCCO1	773556563	GXSHMWVALGEBBV-GJZGRUSLSA-N	315.373	1.130	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cn(CC(F)(F)F)nc1C	887145458	FCWRNJTWOVMUIZ-UHFFFAOYSA-N	316.283	1.318	50	20	DDGD	
CCN(CCC(=O)NC)C(=O)[C@@H](Br)C(C)(C)C	888267939	AATACTRKJCSWOC-SNVBAGLBSA-N	307.232	1.781	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)NCCC#N)c1C	787359970	MGAIXAJWVYKCJW-GFCCVEGCSA-N	304.350	1.315	50	20	DDGD	
O=S(=O)(CCCCl)N1CCN(c2ccnc(F)c2)CC1	882235575	SGXWKDRCEZJNBJ-UHFFFAOYSA-N	321.805	1.301	50	20	DDGD	
Cn1ncc(C(=O)NNc2cccc(Cl)c2)c1-n1cnnc1	789955145	QPAKXSZBLWSCKN-UHFFFAOYSA-N	317.740	1.411	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnc(Oc2ccccc2)cn1	780706399	PAOMTQGGWYDDET-UHFFFAOYSA-N	315.333	1.575	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(COC(C)(C)C)on1	887146616	FDPXIEYNZRACQF-UHFFFAOYSA-N	307.350	1.554	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)c2cccc(F)n2)c(C)n1	1120670653	UHLGBBIABCPVQT-UHFFFAOYSA-N	305.313	1.210	50	20	DDGD	
CCOCCC=NNC(=O)c1cc(OC)c(OC)c(OC)c1	788406345	BSKFJHARGSIDLY-UHFFFAOYSA-N	310.350	1.855	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(OC(=O)OCC)cc1	887148082	NLJYRTDUZPOUCF-UHFFFAOYSA-N	318.329	1.786	50	20	DDGD	
CNC(=O)NNC(=O)c1cc2ccccc2n1CC(F)(F)F	787163340	GLHIMHBLYMQBAQ-UHFFFAOYSA-N	314.267	1.777	50	20	DDGD	
CCN(CC(OC)OC)C(=O)/C(C#N)=C/c1ccc(O)cc1	1123905423	NGZRXINOXIOBMY-UKTHLTGXSA-N	304.346	1.767	50	20	DDGD	
CC[C@@H](C)[C@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	780235607	CFMHOAZOORKCPD-OLZOCXBDSA-N	320.389	1.981	50	20	DDGD	
CC(C)(C)c1nsc(NC(=O)C(=O)NNc2ccccn2)n1	784793217	QBWQELXWQJMUEK-UHFFFAOYSA-N	320.378	1.312	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cnn(-c2ccccc2)n1	781806176	WNMNSOMXLNTGKD-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CCN2C(C)(C)C)nc1	897235670	VVBZGZCOUCSDHU-LLVKDONJSA-N	306.366	1.184	50	20	DDGD	
Cc1cnc2c(C(=O)NNC(=O)CC3CCCC3)cnn2c1	896032930	IXTOOMJSQBXMRJ-UHFFFAOYSA-N	301.350	1.379	50	20	DDGD	
CC[C@@H]1CN(CC(=O)NNC(=O)c2cccc(C)c2)CCCO1	799201421	WPOXMCMEGSOIQR-OAHLLOKOSA-N	319.405	1.257	50	20	DDGD	
Cc1nc(CNC(=O)NC[C@@]2(C)C[C@H]2Br)n[nH]1	895923402	PABMBIUCRRQADS-GMSGAONNSA-N	302.176	1.086	50	20	DDGD	
O=C(/C=C/c1ccc(O)c(O)c1)NNc1nc2ccccn2n1	791257512	LLKJQDDQWGVLKJ-FNORWQNLSA-N	311.301	1.297	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1c(C)nc(N)nc1C	798313791	NNTPRCJAQMEJBY-UHFFFAOYSA-N	314.349	1.451	50	20	DDGD	
COC(=O)C[C@@H]1CCC(=NNC(=O)NCC(F)(F)F)[C@@H]1C	794494058	IARJIRKGSHPETK-SFYZADRCSA-N	309.288	1.813	50	20	DDGD	
O=C(COC(F)F)NNC(=O)c1cc(-c2ccccc2)on1	794895305	NECGXNOMDGWGHS-UHFFFAOYSA-N	311.244	1.342	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2cc(C)on2)c2ccccc2n1	799008948	YVNCROQLNQVMTK-UHFFFAOYSA-N	324.340	1.843	50	20	DDGD	
C[C@@H](Oc1ccc(C=NNC(=O)c2ccc[nH]2)cc1)C(=O)O	794888686	MDIXVODFPVROQC-SNVBAGLBSA-N	301.302	1.631	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)C2CCN(C)CC2)cc1C	794659443	SOPNFXSEYGLYHU-UHFFFAOYSA-N	319.405	1.957	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cccc(C)n2)cc1	794751087	HOGQZCCTFHEMIH-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CSc2cc(C)ccc21	797786406	VBWKTVFFWKXZET-LLVKDONJSA-N	308.403	1.973	50	20	DDGD	
CC(C)n1cc(NC(=O)NNc2nc3ccccn3n2)cn1	792318103	DEHHQQQTQAXZDE-UHFFFAOYSA-N	300.326	1.655	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)COc1cc(C)cc(C)c1	792796683	IESSLLQCUSVRGD-CZUORRHYSA-N	322.405	1.891	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1nc(Br)ccc1F	792303262	MKLBPBVIZCOBJI-UHFFFAOYSA-N	319.134	1.289	50	20	DDGD	
CCn1cc(C(=O)C(=O)NNc2ccc(Cl)c(OC)c2)cn1	790187244	OJOMNRFDFAQABO-UHFFFAOYSA-N	322.752	1.891	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc2nccnc2cc1F	792082921	LNCFPOTUHDYKMZ-UHFFFAOYSA-N	305.313	1.513	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2cnc(C3CC3)[nH]2)c1	1319092325	RUAXZMWXKVBDHP-UHFFFAOYSA-N	314.345	1.436	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc(F)c(F)c(F)c1F	1317768518	CSVYHWQEOMWNMA-UHFFFAOYSA-N	309.288	1.760	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)CC[C@]2(C)CCC(=O)N2)nn1	1320366553	DSWPYZPIBYQCKF-INIZCTEOSA-N	319.409	1.666	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2n[nH]c3c2CCCC3)CN1C1CC1	1323684445	NIFYJGLTMORWMD-SNVBAGLBSA-N	301.394	1.631	50	20	DDGD	
COC(=O)C(=O)NN=C1C[C@@H](OCc2ccccc2)C1(C)C	1324944521	FNYIBXGNHKKXCB-CYBMUJFWSA-N	304.346	1.647	50	20	DDGD	
COC1(C=NNC(=O)CCN2CCC(C)CC2)CCOCC1	1320761295	CVRXETALWDRHJZ-UHFFFAOYSA-N	311.426	1.406	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)OC1CCCCC1	1321051073	DEKGLEQUXLTEMF-WDEREUQCSA-N	314.382	1.213	50	20	DDGD	
CC(C)CN(CC(=O)NNC(=O)c1cccc(C#N)c1)C1CC1	1335803319	LIBDGXCZXUQDPY-UHFFFAOYSA-N	314.389	1.440	50	20	DDGD	
CN(Cc1ccc(C(N)=O)cc1)C(=O)NNC(=O)C(C)(C)C	1338767139	ZWOLRRMPALJDKB-UHFFFAOYSA-N	306.366	1.004	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@H]2CCC[C@H]2OC)cc1	1336008810	CRCNDFKZSMREOY-UONOGXRCSA-N	306.362	1.660	50	20	DDGD	
Nc1cnnc(NNC(=O)N[C@H]2CCC[C@@H](F)C2)c1Cl	1345742963	VTVAAVPTICZNGZ-RQJHMYQMSA-N	302.741	1.619	50	20	DDGD	
C[C@]1(CNC(=O)[C@H](N)Cc2ccccn2)C[C@H]1Br	1263163446	PHVLUOSXFZJLLW-NQBHXWOUSA-N	312.211	1.241	50	20	DDGD	
CCO/C=C(/C#N)c1nnc(-c2ccc(-n3cnnn3)cc2)o1	1261425520	BEAACYIZWNCOBM-FLIBITNWSA-N	309.289	1.613	50	20	DDGD	
O=C(NNC(=S)Nc1cccc(F)c1F)[C@@H]1CCCCO1	1348487690	HQRHFHNFLAHEEC-JTQLQIEISA-N	315.345	1.852	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccccc1N1CCCC1=O	1342691249	KNQOUKJVHFLWEE-UHFFFAOYSA-N	304.350	1.120	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc(F)c2cccnc12	1517993869	TUHAFIOOQBKTRF-CYBMUJFWSA-N	317.320	1.704	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@]23CCCN(CC2)C3)cc1F	1602384873	LVWLTBRIKOXOOA-HNNXBMFYSA-N	307.325	1.453	50	20	DDGD	
C[C@@H](OCC(=O)NNc1ccccc1C(=O)O)c1nccn1C	1609798552	FCMAQJFNGSSFQH-SNVBAGLBSA-N	318.333	1.339	50	20	DDGD	
O=C(O)CCCCC(=O)NNC(=O)c1cccc2cccnc12	1608710027	DATJJNILSHOVJG-UHFFFAOYSA-N	315.329	1.641	50	20	DDGD	
CC(C)[C@@H](C(=O)O)C(=O)NNC(=O)c1ccc2ccccc2c1	1602970491	USWXWNBEVPEWDN-CQSZACIVSA-N	314.341	1.958	50	20	DDGD	
O=C(O)CCCCC(=O)NNC(=O)Nc1cc(F)cc(F)c1	1606142002	KRXIRGOJLNWLBU-UHFFFAOYSA-N	315.276	1.763	50	20	DDGD	
O=C(/C=C\c1ccccc1-c1nn[nH]n1)NCC(Cl)Cl	1609518500	OPONXUHVBFKKMB-WAYWQWQTSA-N	312.160	1.800	50	20	DDGD	
Cc1c(NNC(=O)C2(C(=O)C3CC3)CC2)cccc1C(=O)O	1600051474	VIYFQYPZXCSTBZ-UHFFFAOYSA-N	302.330	1.896	50	20	DDGD	
CCC[C@@H](CNC(=O)NNc1ccc(C(=O)O)cc1F)OC	1605214286	KNHFYNICHUREHY-JTQLQIEISA-N	313.329	1.965	50	20	DDGD	
CCc1oc(C=NNC(=O)[C@H](C)OCCOC)cc1C(=O)O	1610079190	ITMZBKAWPSNOSA-VIFPVBQESA-N	312.322	1.042	50	20	DDGD	
Cc1ncc(Cl)c(C(=O)NNc2ccccc2C(=O)O)n1	1610563008	KFDJDHKCOFKKHX-UHFFFAOYSA-N	306.709	1.894	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](O)CCl)n[nH]1	1814868629	BBFTUTUQZBLVPD-GHMZBOCLSA-N	314.773	1.021	50	20	DDGD	
CCS(=O)(=O)CCN(C)C[C@@H](CBr)C1CC1	859209898	OKQHHXDHYCEETO-LLVKDONJSA-N	312.273	1.774	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)C(C)(C)n1cc(N)cn1	1575871428	MXFQCFVURFZAQB-UHFFFAOYSA-N	303.370	1.257	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1csc(CN)n1	1578851005	LAVBOUOTQJRLCO-UHFFFAOYSA-N	324.337	1.284	50	20	DDGD	
Cc1c(C(=O)NNc2ncccc2C(=O)O)cccc1[N+](=O)[O-]	1574296584	PTZVXVDYMRSFCD-UHFFFAOYSA-N	316.273	1.753	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1ncc[nH]1)C2	1841667133	RGQCZWJGCOEZTP-NSHDSACASA-N	324.812	1.634	50	20	DDGD	
C[C@]1(CNC(=O)C2(C(=O)O)CCOCC2)C[C@@H]1Br	1589240875	ARSUUALKBKVASR-GZMMTYOYSA-N	320.183	1.158	50	20	DDGD	
CN(NS(=O)(=O)c1occc1C(=O)O)C(=O)OC(C)(C)C	1598540804	FLPVTQUMTDBZOA-UHFFFAOYSA-N	320.323	1.038	50	20	DDGD	
C[C@]1(CNC(=O)c2ccnc(C(=O)O)c2)C[C@@H]1Br	1594027133	MEUYBRPZHWIMCZ-JOYOIKCWSA-N	313.151	1.683	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@@]12CCCC[C@H]1OCC2	1595261491	CNMXOGCCJSCHET-IAQYHMDHSA-N	305.334	1.572	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@](C)(C#N)CC(=O)O	1593766229	IOGHGCRTFWYIPF-HNNXBMFYSA-N	319.317	1.291	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)c1ccc(-c2nn[nH]n2)nc1	1592173318	KECNQKKUPBKJFP-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
O=C(NNc1ncccn1)c1cc(-c2nn[nH]n2)ccc1Cl	1593166381	IXCGAUCIHACUHO-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)ccc1C(=O)NCCCSC#N	1591862204	ICNPYFQXYAKFGR-UHFFFAOYSA-N	302.363	1.509	50	20	DDGD	
CNc1ncccc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	1591225781	YRDICUPFUUJLTQ-UHFFFAOYSA-N	310.321	1.060	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@](CC)(C(=O)O)c1ccccc1	1596864493	SYYMAZNCPJSDLH-HVJHFUJKSA-N	316.357	1.979	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2coc(-c3nn[nH]n3)c2)c1	1591540862	QRTWTPKZBBLFRJ-UHFFFAOYSA-N	318.268	1.364	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1ccc(/C=C/C(=O)O)cc1	1776118030	PKXMWCHUOZKVHP-GOLNNHHQSA-N	300.314	1.454	50	20	DDGD	
COc1ccc(C(=O)O)cc1C=NNC(=O)c1ccccc1O	1776017692	YKFXQHCUCFZSMR-UHFFFAOYSA-N	314.297	1.863	50	20	DDGD	
CCC(=NNC(=O)c1cn[nH]c1)c1cc(C(=O)O)ccc1F	1776093854	OGWDBISYSSJILU-UHFFFAOYSA-N	304.281	1.791	50	20	DDGD	
COc1ccc(C(=O)O)cc1C=NNC(=O)c1ccc(CO)o1	1776097170	PMMHNMQJMHPRLX-UHFFFAOYSA-N	318.285	1.243	50	20	DDGD	
CC[C@@H](Br)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(C)=O	1795762483	BLIRPBYBIWVQOP-WRWGMCAJSA-N	317.227	1.818	50	20	DDGD	
CCNC(=S)NNC(=O)c1ccc(F)cc1Br	14808154	RPYDTMQSKRRJES-UHFFFAOYSA-N	320.187	1.717	50	20	DDGD	
CN(C)S(=O)(=O)c1cc(C(=O)NNc2ccccc2)co1	161050345	GCFNVETYPVNBGJ-UHFFFAOYSA-N	309.347	1.287	50	20	DDGD	
CCCC(O)(CCC)CC(=O)NNC(=O)c1ccccc1O	158074954	QGDDBRUVUYUNMZ-UHFFFAOYSA-N	308.378	1.875	50	20	DDGD	
Cc1ccc(Cl)cc1C(=O)NNC(=O)C(=O)N1CCCC1	160431111	IYNSNWNDTOQXPL-UHFFFAOYSA-N	309.753	1.032	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1	160472309	RYZKNHMTWSIIGJ-GJZGRUSLSA-N	319.405	1.765	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NCc2ccco2)cnn1CC(C)C	164076434	ADSOAQRLGFCSGK-UHFFFAOYSA-N	319.365	1.585	50	20	DDGD	
CN(CC(=O)NNc1ccc(C#N)cc1)C(=O)OC(C)(C)C	155128895	DEYGCTJUFMDHLQ-UHFFFAOYSA-N	304.350	1.868	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc(F)cc1Cl	154068527	MUHLFMZPWFTIOL-UHFFFAOYSA-N	321.830	1.951	50	20	DDGD	
COCCOCCC(=O)NNc1cccc(C(F)(F)F)n1	155810057	UHBBLVXZAPDDJT-UHFFFAOYSA-N	307.272	1.597	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)[C@@H]1CCCO1)c1ccc(F)cc1F	157860757	WFLKKUPWVXURRA-RNCFNFMXSA-N	312.316	1.785	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNC(=O)c1ccncc1	156461820	OSZNMKWGIFYZHQ-SECBINFHSA-N	301.350	1.376	50	20	DDGD	
CN(C(=O)CN(C)S(=O)(=O)CCCCl)C1CCCCC1	37842798	GJHRXPKKEIBGLT-UHFFFAOYSA-N	324.874	1.668	50	20	DDGD	
C#CCN(Cc1ccccc1)S(=O)(=O)CBr	285450439	SNVRRHMLFBROMC-UHFFFAOYSA-N	302.193	1.804	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cnn(C)c2)c1C	8301594	IOQAFORMZADQFX-GFCCVEGCSA-N	316.361	1.265	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCOc1ccccc1C	65208544	LUYMDWNVDMJCFX-UHFFFAOYSA-N	309.366	1.131	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(C(C)C)n(C)n2)nc1	179780023	TUUVRQWQUQGSRH-UHFFFAOYSA-N	317.349	1.482	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@H]2CCCO[C@H]2C(C)C)o1	177304135	DQOVAVQKLSPAEO-OCCSQVGLSA-N	323.393	1.983	50	20	DDGD	
Cc1cccc(O[C@@H](C)CNC(=O)NNc2ncccn2)c1	176052859	NYXJFPHVXMAKHA-LBPRGKRZSA-N	301.350	1.879	50	20	DDGD	
Cc1ccccc1C(C)(C)CNC(=O)NNC(=O)[C@@H]1CCCO1	102026672	HOGQMLGLKBYCQY-AWEZNQCLSA-N	319.405	1.782	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CCC(F)(F)F	175651796	VHUHUUPWWOXPLX-UHFFFAOYSA-N	304.268	1.728	50	20	DDGD	
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)c1ccccc1F	68635022	OXKDMVPHLSXQEN-ZJUUUORDSA-N	324.356	1.073	50	20	DDGD	
CCOc1ccc(C(=O)NCC(=O)NNC(=O)CC(C)C)cc1	10160880	RHFXIJIMPGLXIR-UHFFFAOYSA-N	321.377	1.009	50	20	DDGD	
O=C(C[C@@H](O)c1cccc(F)c1)NNC(=O)NC1CCCCC1	179604081	BPSYUXBBABZOSP-CQSZACIVSA-N	323.368	1.912	50	20	DDGD	
O=C(NNc1cccnn1)N[C@@H]1CCOc2ccc(F)cc21	172464526	VBBGORWXAJFMFR-LLVKDONJSA-N	303.297	1.766	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NNc2cnccn2)C1	114881008	IOCUKKKPVDLFLS-LLVKDONJSA-N	305.382	1.204	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1	117680241	VEMDMAPNZKNZSA-UHFFFAOYSA-N	323.696	1.057	50	20	DDGD	
O=C(NCc1cccc2cccnc12)NNC(=O)[C@@H]1CCCO1	68885723	RWSPABOVKQOAON-ZDUSSCGKSA-N	314.345	1.244	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCOc2ccccc2F)n1	174481925	WADFPJRJIPRODD-UHFFFAOYSA-N	320.324	1.845	50	20	DDGD	
CC(C)n1nccc1C(=O)NNC(=O)CNc1ccccc1	134394078	UEWAAGSKACWGHW-UHFFFAOYSA-N	301.350	1.337	50	20	DDGD	
CNC(=O)NNC(=O)Cc1csc(-c2ccc(C)cc2)n1	65885653	FGWZNHWTZFLMCD-UHFFFAOYSA-N	304.375	1.621	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1nc(C2CC2)cs1	170697876	MESXTIXYSGPEPS-UHFFFAOYSA-N	303.347	1.882	50	20	DDGD	
COC[C@H]1CN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C[C@H](C)O1	188210023	BUSPCDJBRDOGOF-RRUOQWNVSA-N	318.348	1.995	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NC1Cc2ccccc2C1	186556875	FTPUNWVFGXRYQR-UHFFFAOYSA-N	310.357	1.122	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(O)nc(C(C)C)c2)[nH]n1	182056497	WUDKENUTPDQBHT-UHFFFAOYSA-N	303.322	1.017	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2cc(Cl)ccc2O)CCCO1	129294872	ZOVLRRDMYYNGFO-UHFFFAOYSA-N	310.737	1.891	50	20	DDGD	
O=C(CCn1cc([N+](=O)[O-])cn1)NNc1ccc(Cl)cc1	120362357	VZSNUQXETSTXMP-UHFFFAOYSA-N	309.713	1.978	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNC(=O)C(C)(C)C)c1cccs1	79197591	PHESBXOLADLEEW-JTQLQIEISA-N	312.439	1.727	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNc1ccc(C(F)(F)F)nn1	124369182	KFURXIZNRBKQPQ-SECBINFHSA-N	317.315	1.813	50	20	DDGD	
O=C(NC[C@@H]1CCCS1(=O)=O)NNc1ccccc1Cl	124355802	JNWBGSYEFADWKR-VIFPVBQESA-N	317.798	1.543	50	20	DDGD	
CCc1[nH]c(C(=O)NNC(=O)C(C)(C)C)c(C)c1C(=O)OC	77219422	PFCJQLSPTXQDDU-UHFFFAOYSA-N	309.366	1.479	50	20	DDGD	
C[C@H](c1ccccc1)N1C[C@H](C(=O)NNC(=O)C2CC2)CC1=O	78304281	LFCQBQKJDXKROQ-BXUZGUMPSA-N	315.373	1.154	50	20	DDGD	
COc1ccc(F)cc1NC(=O)NNC(=O)c1cnn(C)c1	183460056	BIRQKUAYUOQBNA-UHFFFAOYSA-N	307.285	1.034	50	20	DDGD	
COC(=O)C1(C(=O)NNc2nc(-c3ccccc3)no2)CC1	133741349	KSWCFTZZSDVLHD-UHFFFAOYSA-N	302.290	1.133	50	20	DDGD	
O=C(C#Cc1ccc2c(c1)OCO2)NNC(=O)c1ccccc1	136064895	AKGUUENQLFBHKC-UHFFFAOYSA-N	308.293	1.228	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)c3cc[nH]n3)cc2C1	44980451	MCFHTPDMCLXKBS-MRVPVSSYSA-N	304.375	1.671	50	20	DDGD	
CC(C)CONC(=O)NNC(=O)c1cc(Br)c[nH]1	137400513	BOCFTXTWAQWBKM-UHFFFAOYSA-N	319.159	1.309	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)C1(Cc2cccc(F)c2)CCC1	192925881	ATGYFVRCPZKOSA-UHFFFAOYSA-N	308.353	1.457	50	20	DDGD	
Cc1nc(C(=O)NNc2cnc3ccccc3n2)ccc1C#N	193567178	QQRZAGBAGIBKQY-UHFFFAOYSA-N	304.313	1.962	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cnn(Cc2ccccc2Cl)c1	194927253	VPFDLLACNPZFSL-UHFFFAOYSA-N	321.768	1.501	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCc1cccc(O)c1	195466282	FJTVVFOZPNMYLQ-UHFFFAOYSA-N	313.357	1.855	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cccn2C)cnn1-c1ccccc1	136030357	ALQSPCWHGIKWBS-UHFFFAOYSA-N	323.356	1.594	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)c1cnc(S)[nH]1	193076919	AQTCAOMAOTYZDC-UHFFFAOYSA-N	304.375	1.482	50	20	DDGD	
CCS(=O)(=O)CC(=O)NNc1ccc(Br)cc1	193615460	UTLIQHVGZSALEB-UHFFFAOYSA-N	321.196	1.327	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)Nc1cnc(C2CC2)nc1	92758903	KYGSZXTZFIBSOD-UHFFFAOYSA-N	305.729	1.946	50	20	DDGD	
CN(C)N(C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCS(=O)(=O)C1	249309251	HTJWICMBXRXVJF-XDQVBPFNSA-N	314.451	1.305	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c(-c2ccccc2)n1)NC1CCCC1	265661755	PFYORRVYZXMYNC-UHFFFAOYSA-N	313.361	1.963	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@H]1C[C@@]12CCOC2	364085438	HLBWVEHAEHTLET-MEBBXXQBSA-N	321.402	1.439	50	20	DDGD	
O=C(NCC[S@@](=O)Cc1ccccc1)NNC(=O)C1CCC1	265289160	KACQWMBVAGWAJJ-JOCHJYFZSA-N	323.418	1.066	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(OC)c(OC(F)F)c1	271456382	VXXRCYSPEHZOMC-UHFFFAOYSA-N	317.292	1.603	50	20	DDGD	
COC(=O)c1c(F)cccc1S(=O)(=O)N1CC=C(C#N)CC1	273719554	RKPYERHGNQWBPW-UHFFFAOYSA-N	324.333	1.457	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCc1nc(-c2cccs2)no1	271258881	HVEGLQHFSCGOQG-UHFFFAOYSA-N	323.378	1.423	50	20	DDGD	
COc1cccc(NNC(=O)C(C)(C)NC(=O)OC(C)(C)C)n1	272538092	OOGSJHSDTUXDNA-UHFFFAOYSA-N	324.381	1.837	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)N[C@@H]1CCN2CCCC[C@@H]12	272515307	YVSGJLWFGMILEO-NEPJUHHUSA-N	309.801	1.988	50	20	DDGD	
CC(C)NC(=O)c1ccc(NC(=O)NNC(=O)C2CCC2)cc1	272862790	SJZMVXFUSGVWLJ-UHFFFAOYSA-N	318.377	1.778	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)CCC(=O)N1CCC(O)CC1	274617374	OZABUBIQTKWXQQ-UHFFFAOYSA-N	323.368	1.341	50	20	DDGD	
CCn1c(NNC(=O)[C@@](C)(CC)OC)nc2ccccc2c1=O	279972831	JYDKQPYDWGVPLC-MRXNPFEDSA-N	318.377	1.675	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H](C(=O)NNC(=O)Cc2ccncc2)C1(C)C	275754611	JMDLSLTYOQJWPJ-YPMHNXCESA-N	317.389	1.413	50	20	DDGD	
CSCCONC(=O)NNC(=O)CCCc1ccccc1	279965611	PMLGYYBHBQXCSF-UHFFFAOYSA-N	311.407	1.634	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@@H](C)C(F)(F)F)c1	288789738	FFNCTDOTOIPARS-VIFPVBQESA-N	319.283	1.655	50	20	DDGD	
CS(=O)(=O)c1ccc(F)c(C(=O)NCC(Cl)Cl)c1	288183509	JGZQSDDSFWHODT-UHFFFAOYSA-N	314.165	1.763	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H]2CCN3CCC[C@H]3C2)n1	371831184	TWSSKIVGNAHUOB-RYUDHWBXSA-N	320.397	1.047	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1ccc2[nH]nnc2c1	286908478	HKBNDTWMHGQWDD-UHFFFAOYSA-N	309.333	1.772	50	20	DDGD	
O=C(CN1CSCC1=O)NNc1cc(C(F)(F)F)ccn1	295284782	HYXXHYZQZBHTRD-UHFFFAOYSA-N	320.296	1.076	50	20	DDGD	
CC(C)(C)Oc1ccc(C(=O)NNc2ncncc2F)nc1	294186052	XAXQNGFISIQVOS-UHFFFAOYSA-N	305.313	1.945	50	20	DDGD	
CO[C@@](C)(C(=O)NNc1nc(O)c2ccccc2n1)C1CC1	291897242	KSPJTGZNOPXLMN-OAHLLOKOSA-N	302.334	1.594	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1O[C@H](C)C[C@@H]1C	800320427	AFYQUSKNJFVAMR-IMSIIYSGSA-N	316.361	1.217	50	20	DDGD	
CC(=O)C1(C(=O)NNC(=O)COc2cc(C)ccc2C)CC1	292603451	GGMOUSYRKPZRPF-UHFFFAOYSA-N	304.346	1.199	50	20	DDGD	
CCn1c(NNC(=O)[C@@H]2CC2(F)F)nc2ccccc2c1=O	294633750	ZQRLTDFPTVDRIM-VIFPVBQESA-N	308.288	1.515	50	20	DDGD	
Cc1ccn(CC(=O)NNc2ccc3c(=O)[nH]ccc3c2)c(=O)c1	803439536	GBZYRYFARLWFBE-UHFFFAOYSA-N	324.340	1.142	50	20	DDGD	
O=C(CSC(F)F)NNc1ccc(C(F)(F)F)nn1	296229438	DTTLYAARNFLIRD-UHFFFAOYSA-N	302.228	1.894	50	20	DDGD	
CCC(CC)C(=O)NNc1ccccc1S(=O)(=O)N(C)C	294512056	DNTGWFGVJHSTQU-UHFFFAOYSA-N	313.423	1.816	50	20	DDGD	
CC[C@@H](CNC(=O)NNc1cccc(S(C)(=O)=O)c1)OC	291518730	RKBAFVJUBDYHGZ-NSHDSACASA-N	315.395	1.141	50	20	DDGD	
C[C@@H]1CCC[C@H]1NCC(=O)NNC(=O)c1ccccc1Cl	800391263	RGZRZEWHNOOJGM-ZWNOBZJWSA-N	309.797	1.879	50	20	DDGD	
CN(C[C@H](O)Cc1ccccc1)S(=O)(=O)CCCCCl	293074988	UNSOGMBBEQZSOD-CQSZACIVSA-N	319.854	1.871	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)C[C@@H]2OC(=O)c3ccccc32)O1	294291275	QHHCYOYHKYOMER-XDTLVQLUSA-N	318.329	1.003	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)NOC[C@H]1CCOC1	807167596	GLZIMXXOQBVNCY-JTQLQIEISA-N	318.333	1.122	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H](O)c1ccc(Cl)c(Cl)c1	295533702	FSKUYJOXLAUQHA-GFCCVEGCSA-N	317.172	1.974	50	20	DDGD	
CCOc1ccc(NNC(=O)C(=O)N2CCC(C)CC2)cc1	293800069	BLZUBRRPJDWNAJ-UHFFFAOYSA-N	305.378	1.787	50	20	DDGD	
CN1CCC[C@@H]1C(=O)NNC(=O)c1cc2c(s1)CCCCC2	299547105	PZBCBLDSVVVVIR-GFCCVEGCSA-N	321.446	1.872	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)cc1[N+](=O)[O-]	295364207	JMKPSPYFSCIZKY-CYBMUJFWSA-N	321.333	1.487	50	20	DDGD	
CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NNC(=O)CO	807195934	OAKFDWINKKMRHY-SNVBAGLBSA-N	318.295	1.414	50	20	DDGD	
CCc1nc(C(C)C)ccc1C(=O)NNC(=O)c1cnn(C)c1	293579229	BXHHSGLRKZZZKP-UHFFFAOYSA-N	315.377	1.576	50	20	DDGD	
CN(C)c1ccc(CCC(=O)NNC(=O)[C@H]2CCCCO2)cc1	295659961	VVILIKAZOVHEHU-OAHLLOKOSA-N	319.405	1.402	50	20	DDGD	
O=C1CCCC[C@@H](C(=O)NNc2cc(C(F)(F)F)ccn2)N1	295439345	VOWCXGQHOSFTLO-VIFPVBQESA-N	316.283	1.602	50	20	DDGD	
Cc1cc(C)nc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)c1	801447738	ZPAXOTZXKZDXDX-LBPRGKRZSA-N	321.377	1.437	50	20	DDGD	
O=C(NCCc1ccc(F)cc1)NNC(=O)[C@@H]1CCCCO1	296204125	OOJASMXNBVGAAC-ZDUSSCGKSA-N	309.341	1.268	50	20	DDGD	
CSCC(C)(C)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	800313466	BNUUZODITLOMDA-JTQLQIEISA-N	318.439	1.501	50	20	DDGD	
O=C1CC(C(=O)NNc2ccc(Cl)nn2)(c2ccccc2)C1	810419822	QGCISEJHZOSPST-UHFFFAOYSA-N	316.748	1.874	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)Cc1cc[nH]n1)CCCO2	814954052	UDBGAMHGZOPTHY-UHFFFAOYSA-N	314.345	1.654	50	20	DDGD	
C[C@@H]1CN(C[C@@H](C)C(=O)NN=C2CCOC2(C)C)C[C@@H](C)O1	814766396	IUEJAMMSQVFTCI-JHJVBQTASA-N	311.426	1.403	50	20	DDGD	
Cn1c(NNC(=O)C2CCN(C3CC3)CC2)nc2ccccc21	816579229	JQAIVBSXYPJXJL-UHFFFAOYSA-N	313.405	1.891	50	20	DDGD	
O=C(COc1ccc(Cl)c(F)c1)NNC(=O)c1ccncc1	814682331	JWQMSOOYIKFPFT-UHFFFAOYSA-N	323.711	1.714	50	20	DDGD	
CC(=NNC(=O)Cn1nc(C)cc1C)c1cccc(CO)c1	814753573	ZOFCNXHBLUKVGF-UHFFFAOYSA-N	300.362	1.533	50	20	DDGD	
CC(C)C(=O)N(C)Cc1ccc(C(=O)NNc2nc[nH]n2)cc1	816632962	HDGYNKQOQICLEM-UHFFFAOYSA-N	316.365	1.176	50	20	DDGD	
CC(=NNC(=O)COc1ccc(F)cc1)c1csc(N)n1	812433165	IVHKUJRZFBBJDT-UHFFFAOYSA-N	308.338	1.784	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	812454514	MXLNFTJULVWJLQ-QWRGUYRKSA-N	322.361	1.137	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)Nc1ccc(C(=O)O)cc1	811643024	PEZGHXAELFBVPR-GFCCVEGCSA-N	318.333	1.551	50	20	DDGD	
Cn1cncc1CNC(=O)NNc1ccc2c(=O)[nH]ccc2c1	812486086	DASWQCRGLOTJRL-UHFFFAOYSA-N	312.333	1.088	50	20	DDGD	
Cn1cc(Br)c(C(=O)NNc2ccc(C#N)cc2)n1	815852332	QGBRCWAZUUFJEC-UHFFFAOYSA-N	320.150	1.811	50	20	DDGD	
COc1cc(CNC(=O)NNc2cccc(Cl)n2)ccn1	814276146	ONPLDKYOLXRXCE-UHFFFAOYSA-N	307.741	1.965	50	20	DDGD	
CCOc1ccc(NNC(=O)c2cnc3c(c2)nnn3C)cc1	817915198	FWEVZMZAGIJASX-UHFFFAOYSA-N	312.333	1.519	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N	815563422	BQCVGVWZRJHTGG-UHFFFAOYSA-N	308.363	1.023	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)c1cc(-c2nn[nH]n2)cs1	823280952	JQTAKYYAPWZDTG-UHFFFAOYSA-N	322.300	1.963	50	20	DDGD	
COc1ccccc1-n1ncc(C(=O)NN(C)[C@H](C)CO)c1C	823928526	OQZDCRAPGPYBTP-LLVKDONJSA-N	318.377	1.147	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl	497053914	DIOZHZNRDJLWAF-UHFFFAOYSA-N	301.686	1.948	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(N(CC)C(C)=O)nc1	824587615	XREYYRSBZDOGNJ-UHFFFAOYSA-N	322.369	1.152	50	20	DDGD	
CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NNc2cnccn2)C1	492796465	WGNRNCAPQQCRRW-JTQLQIEISA-N	319.365	1.177	50	20	DDGD	
N#CCn1c(C(=O)NNC(=O)c2ccc[nH]2)cc2ccccc21	729303654	UHFGPKILAPYQBN-UHFFFAOYSA-N	307.313	1.568	50	20	DDGD	
CN(NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1CC1	496818012	SIPKBQCZBHOJSG-GFCCVEGCSA-N	310.398	1.699	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)OC[C@@H]2CNC(=O)O2)cc1	496273517	JVFIHWFUYWZMRN-VDBIKXPHSA-N	316.313	1.644	50	20	DDGD	
COC(=O)NCCC(=O)NNc1ccccc1OC(F)(F)F	495497807	ONIZEQGJZIGREX-UHFFFAOYSA-N	321.255	1.774	50	20	DDGD	
O=C(c1csc(-c2ccccc2)n1)N1CC[C@H](B(O)O)C1	585069241	KBFCEKFOBGUTKU-NSHDSACASA-N	302.164	1.499	50	20	DDGD	
C[C@@H](NCc1ccccc1B(O)O)c1ccccc1OC(F)F	585015215	STERRRHWNXSTTP-LLVKDONJSA-N	321.132	1.819	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C	823950676	FHDNRGDSVINBTF-RYUDHWBXSA-N	315.414	1.120	50	20	DDGD	
CCOC(=O)N1CCN(C(=O)[C@]2(C)C[C@@H]2Br)CC1	905062508	VLHOTKNOHRVYPG-JOYOIKCWSA-N	319.199	1.461	50	20	DDGD	
CC[C@H](C)[C@@H](NNC(=O)COc1cccc(C)c1)C(=O)OC	905746953	GCDPFEHHNGKLFD-SWLSCSKDSA-N	308.378	1.582	50	20	DDGD	
CCC(CC)(NC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)OC	491101153	CYHCWNAHXADHJX-GHXNOFRVSA-N	304.350	1.175	50	20	DDGD	
CC(C)Cc1nc(C(=O)Nc2cccc(B(O)O)c2)cs1	584909451	DJLFAFSYRSMUDJ-UHFFFAOYSA-N	304.180	1.274	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)Cc1csc(-c2cccs2)n1	823983001	IQNFYVOOOLRZDU-VIFPVBQESA-N	311.432	1.758	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSC1(CO)CCCCC1	829998170	GEYBGFQEQOHAMG-UHFFFAOYSA-N	302.440	1.608	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1n[nH]c2c1CCCC2	826448286	PJESKUIAKVXPIU-UHFFFAOYSA-N	324.348	1.226	50	20	DDGD	
CC(C)[C@@H](C(=O)NN(C)C(N)=O)[C@@H](C)NC(=O)OC(C)(C)C	497083384	MQHMGBBNFNRKBP-NXEZZACHSA-N	316.402	1.214	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2cccc3cccnc23)CCCCO1	837377260	QKLOYZITJUQJJK-QGZVFWFLSA-N	313.357	1.955	50	20	DDGD	
CCCNC(=O)NNC(=O)/C=C(/C)Cc1ccccc1OC	730215016	AWXKFLQHTDEDKK-QXMHVHEDSA-N	305.378	1.924	50	20	DDGD	
CCN(C(=O)c1ccc(B(O)O)cc1)[C@@H]1CCc2ccccc21	585010743	YPCQIUAOIXLJCG-QGZVFWFLSA-N	309.174	1.516	50	20	DDGD	
O=C(CCCc1ccc2c(c1)CCCC2)N1CC[C@H](B(O)O)C1	585064437	QCSXUWHJBUXYEV-KRWDZBQOSA-N	315.222	1.963	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@@H]1CCN(CC2CC2)C1	736664791	JIELSHGBTGOCBS-GFCCVEGCSA-N	320.368	1.254	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NCCN2CCCOCC2)c(C)c1	838615490	HAAFHJVAUHXPON-UHFFFAOYSA-N	320.437	1.960	50	20	DDGD	
CC(=O)N[C@@H](CCC(C)C)C(=O)NNc1nccnc1C(C)C	834580401	JZACMBQVFPVDTN-ZDUSSCGKSA-N	321.425	1.984	50	20	DDGD	
O=C(Cc1c[nH]c2ccc(F)cc12)NNC(=O)CC(F)(F)F	734547098	BKXYJLFUBZXBOH-UHFFFAOYSA-N	317.242	1.949	50	20	DDGD	
CO[C@@H]1CCN([C@@H](C)C(=O)NNC(=O)CC(C)C)CC1(C)C	831547024	GUNXXIQGVWCZEF-QWHCGFSZSA-N	313.442	1.315	50	20	DDGD	
Cc1ccnc(-c2n[nH]c([C@@H](C)NS(=O)(=O)CCl)n2)c1	831308692	OMIZWJXUFZNRKE-MRVPVSSYSA-N	315.786	1.352	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=C/C=C/c1ccccc1	730585880	RUSKWJVMRJPRHZ-FOGPZANYSA-N	314.370	1.829	50	20	DDGD	
CO[C@@](C)(CNC(=O)NNC(=O)C1CCC1)c1ccccc1	836589419	HHXWLVLLUNDQFZ-INIZCTEOSA-N	305.378	1.679	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCc2ccc(C)cn2)n1	836685110	UBDDYRVPDTWBIV-UHFFFAOYSA-N	316.365	1.366	50	20	DDGD	
O=C(O)COc1ccc(C(=O)NNc2ccc(Cl)nn2)cc1	739824151	KSMVMRRMSBOMIL-UHFFFAOYSA-N	322.708	1.350	50	20	DDGD	
CC(C)(C)c1nc(CCNCc2cccc(B(O)O)c2)cs1	585031805	KGOPGNNBQWLBPV-UHFFFAOYSA-N	318.251	1.453	50	20	DDGD	
COCCN(c1ccc(OC)c(OC)c1)S(=O)(=O)CCl	830689779	BCHUCTLQQWVBMX-UHFFFAOYSA-N	323.798	1.683	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)[C@H]1CCC[C@H]1Cc1ccccc1	832754197	FGUVLVNHQOKJJQ-KBPBESRZSA-N	304.390	1.564	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(N(C)C)cc1)c1cnn(C)n1	834961119	CRFAHBHONWXVRJ-UHFFFAOYSA-N	301.354	1.427	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C1CN(C(=O)C2CCCCC2)C1	839647973	HDDDTNDVFUSYTA-UHFFFAOYSA-N	323.437	1.609	50	20	DDGD	
COC[C@@]1(CO)CCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C1	832401510	ZUSAUTNEIBXGQU-KBHCHJSJSA-N	317.345	1.790	50	20	DDGD	
N#C/C(=C/c1nccn1-c1ccccc1)S(=O)(=O)NC1CC1	588615390	DEZHLWBKSRFQJS-UVTDQMKNSA-N	314.370	1.819	50	20	DDGD	
C[C@@H](c1cccc(NC(=O)NNC(=O)O)c1)N1CCOCC1	736719572	ZUSUEHAIWHAYJT-JTQLQIEISA-N	308.338	1.384	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1	736250399	GSAKCSATWWSAIB-UHFFFAOYSA-N	323.305	1.490	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2)c1ccc(Cl)cc1F	837451902	NPGSGACAUZHIHF-XROYCOCOSA-N	324.739	1.855	50	20	DDGD	
CC(C)(C)[C@@H]1OCCC[C@@H]1CNCc1ccccc1B(O)O	585024503	YOYMLMILORTQBR-GDBMZVCRSA-N	305.227	1.297	50	20	DDGD	
CC[C@H]1CCC[C@H]1CNC(=O)NNC(=O)Cn1nc(C)cc1C	838651249	WNZSSMPSBKAUBF-KBPBESRZSA-N	321.425	1.657	50	20	DDGD	
NC(=O)NN=Cc1nc(-c2ccc(Br)cc2)c[nH]1	732710506	PJYNJAMWDJREDF-UHFFFAOYSA-N	308.139	1.841	50	20	DDGD	
C[N+](C)(C)CC(=O)NN=Cc1cc(Cl)cc(Cl)c1O	916271084	XXSPVQGIWQITSQ-UHFFFAOYSA-O	305.185	1.855	50	20	DDGD	
CC(=NNC(=O)c1ccc(O)cc1)c1cccc(-n2cnnn2)c1	916264007	PBTRAKJTLZPIKE-UHFFFAOYSA-N	322.328	1.522	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)C2CCC2)C12CCCC2	743701273	FANSQDNWGHIAKX-CHWSQXEVSA-N	309.410	1.855	50	20	DDGD	
Cn1cccc1C=NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	741768320	RFXDNOAOSVQYNF-UHFFFAOYSA-N	320.374	1.584	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@H]1CCC[C@H](C(=O)O)C1	833147212	YDJLKFPXDLQJCH-UWVGGRQHSA-N	309.322	1.001	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)N[C@@H]1CCCN(C(=O)O)C1	831742841	SLIFMVYJMIENOU-SECBINFHSA-N	313.745	1.504	50	20	DDGD	
NS(=O)(=O)CCCCCC(=O)NNc1cccnc1Cl	846258623	UNHRVFVWLPLPFO-UHFFFAOYSA-N	320.802	1.027	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H]2CC23CCOCC3)cc1	846374112	JQIUCJZOMFANLZ-AWEZNQCLSA-N	318.373	1.662	50	20	DDGD	
Cc1ncoc1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	747199392	MDCCYKHOSFSLLX-UHFFFAOYSA-N	303.362	1.960	50	20	DDGD	
O=C(CCC1CCOCC1)NNc1nc(-c2cccnc2)no1	742658385	REQSNCJZOWYKLN-UHFFFAOYSA-N	317.349	1.782	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)N[C@H](C)CN)cc2C1	841968861	DPUKTLQBKNSIGK-DTWKUNHWSA-N	310.423	1.164	50	20	DDGD	
O=C(/C=C/c1ccc2c(c1)OCO2)NNC(=O)CC(F)(F)F	918704270	XOITUWBKRGXJPZ-DUXPYHPUSA-N	316.235	1.528	50	20	DDGD	
CCn1ncnc1C=NNC(=O)CCc1ccc(OC)cc1	848403744	ZERXUXAZYFPRQU-UHFFFAOYSA-N	301.350	1.390	50	20	DDGD	
CCO[C@H](C)c1ncc(C(=O)NNC(=O)c2cccnc2)s1	742465375	LDROKZIDLGUPCD-SECBINFHSA-N	320.374	1.710	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(C#N)c2)CS1	840416907	GISGUBXSZSCXTD-BXKDBHETSA-N	304.375	1.396	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Cc2cccc([N+](=O)[O-])c2)c1	741920309	KMICZIXOLGLXSD-UHFFFAOYSA-N	324.296	1.470	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1cccc2c1CCNC2	841308467	OORVIEXMGJWQKO-CQSZACIVSA-N	318.377	1.054	50	20	DDGD	
COC/C(C)=C/C(=O)NNC(=O)c1cc(OC)cc(OC)c1	844287870	PZDGEKGZSXICPG-BJMVGYQFSA-N	308.334	1.058	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H]2CCc3cncn3C2)c1	844135713	UJRWWOMRLJMHLW-SNVBAGLBSA-N	304.325	1.737	50	20	DDGD	
Cc1cc(-n2c(C)cc(C(=O)NN(C)C[C@H](C)O)c2C)no1	910174184	CBYKGXGQWYNLBB-JTQLQIEISA-N	306.366	1.348	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=S)NCC(C)C	916113440	RYFYPNPGYZLALQ-UHFFFAOYSA-N	305.407	1.408	50	20	DDGD	
CN(C)C(=O)NNC(=S)Nc1ccc2c(c1)OC(F)(F)O2	745729182	FWEKGSIRUINEJY-UHFFFAOYSA-N	318.305	1.481	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)NNC(=O)c2ccccc2C)C1	746818960	IPPZHXWWQYKYIT-INIZCTEOSA-N	303.362	1.015	50	20	DDGD	
O=C(CCCNC(=O)NNc1cc(F)ccc1F)NC1CC1	914167338	LIIYGNJEVSFZGN-UHFFFAOYSA-N	312.320	1.650	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)c2ccccc21	843656167	OXQLTAIBZZCYTK-MISXGVKJSA-N	316.357	1.319	50	20	DDGD	
COc1ccc2c(c1)c(C(=O)NNC(=O)NC(C)C)c(C)n2C	843778296	VMPSJODNZDMSKF-UHFFFAOYSA-N	318.377	1.848	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=S)NCC2CC2)cc1	849252003	UNIRHGHHWJGJBO-UHFFFAOYSA-N	308.407	1.012	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@H]1CCc2cccnc21	847115272	GTIILBGKHHPXSV-QMMMGPOBSA-N	302.256	1.004	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNC(=O)CCOc1ccccc1	841387573	PSUKHZUILKODJQ-CQSZACIVSA-N	308.378	1.664	50	20	DDGD	
Cc1nc(C(C)(C)C)sc1C(=O)NNC(=O)c1ncccn1	841353847	GFDPSRBRDIERFZ-UHFFFAOYSA-N	319.390	1.614	50	20	DDGD	
CCC[C@@H](CC)S(=O)(=O)NNC(=O)c1cccc(C#N)c1	844654087	JGURMUWNQUQRNZ-CYBMUJFWSA-N	309.391	1.701	50	20	DDGD	
CC1(CCC(=O)NNC(=O)COc2ccc(C#N)cc2)CC1	929248491	BUDKBQOUZILRPF-UHFFFAOYSA-N	301.346	1.665	50	20	DDGD	
O=C(NCCS(=O)(=O)C1CC1)NNc1ccccc1Cl	840446576	QERVOXTWWCKYCF-UHFFFAOYSA-N	317.798	1.543	50	20	DDGD	
CSc1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)ccc1F	843660830	LLBUDJQSERPMTK-WPRPVWTQSA-N	312.366	1.734	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=S)NCC2CCC2)cc1O	855090557	ZAILAGLGYLTMOU-UHFFFAOYSA-N	321.402	1.504	50	20	DDGD	
O=C(NN=C[C@@H]1C[C@H]1c1ccccc1)N[C@H]1CCS(=O)(=O)C1	755664254	JOFPCBCXTBVSIE-IHRRRGAJSA-N	321.402	1.262	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=S)NC[C@H]2CCCCO2)c1	758215652	RQYJDSLVBIMNPT-CYBMUJFWSA-N	318.402	1.236	50	20	DDGD	
Cn1cccc1C(=O)NN=C[C@@H]1CCCO[C@H]1c1nccn1C	853283996	LFFXMUCKUKCUHP-GXTWGEPZSA-N	315.377	1.642	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cnc([C@H](C)O)s2)n1	857541520	VNFVBYFMLISDDN-YFKPBYRVSA-N	313.770	1.705	50	20	DDGD	
Cc1cc(C)cc(C=NNC(=O)[C@@H](C)CN2CCOCC2)c1	921256608	WFKSVZHTFMVTTN-HNNXBMFYSA-N	303.406	1.722	50	20	DDGD	
Cc1ccccc1CC(=O)NN=Cc1nnn(C(C)(C)C)n1	853318407	QLLNYIUMMKOZLY-UHFFFAOYSA-N	300.366	1.429	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNc1ncc(Cl)cn1)c1ccco1	856830000	BTBJGYOFGRMZLH-JTQLQIEISA-N	324.772	1.652	50	20	DDGD	
Cc1ncc2n1C[C@H](C(=O)NNc1ccnc(Cl)c1)CC2	855466447	NTTVKVVXADRASL-SNVBAGLBSA-N	305.769	1.946	50	20	DDGD	
COC[C@](C)(O)C(=O)NNC(=S)Nc1cccc(C)c1C	854185974	CRRSGLTZEBPJFR-AWEZNQCLSA-N	311.407	1.018	50	20	DDGD	
COC1(C(=O)NNC(=O)CCc2ccccc2O)CCCC1	754216723	PMWSYFXCCLAEGM-UHFFFAOYSA-N	306.362	1.431	50	20	DDGD	
CN(CC1CC1)S(=O)(=O)NC[C@@]1(C)C[C@@H]1Br	856754119	CHTIBDKYFQKBSC-VHSXEESVSA-N	311.245	1.336	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)s1	853388578	JRYAEQKEFLFOKW-PWSUYJOCSA-N	309.391	1.070	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1ccc(O)c(OC)c1	757464545	BUKBDTLYLOZOAP-UHFFFAOYSA-N	321.377	1.546	50	20	DDGD	
COC(=O)CCC(C)=NNC(=O)COc1ccc(C#N)cc1	756869911	BYVBLMZOMGOJAX-UHFFFAOYSA-N	303.318	1.382	50	20	DDGD	
C#CCN1CCC[C@@H](NC(=O)/C(C#N)=C\c2ccc(O)cc2)C1	923567378	YLKDRLFMKZPPFM-UVQBRAAOSA-N	309.369	1.513	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCC(=O)NC2CCCC2)n1	755945692	LDOJOKDREXPFLE-UHFFFAOYSA-N	321.381	1.076	50	20	DDGD	
O=C(CCn1ccnc1)NNC(=O)C12CC3CC(CC(C3)C1)C2	920433257	FNSJQNCFWXKAEU-UHFFFAOYSA-N	316.405	1.637	50	20	DDGD	
CC(=NNC(=O)c1cnn(-c2ccccc2)c1)c1nccn1C	755722931	SCHLFHWRKXKFKT-UHFFFAOYSA-N	308.345	1.760	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2cnc([C@@H]3CCCO3)s2)n[nH]1	755790675	QBMZKNYURNICME-NSHDSACASA-N	305.363	1.790	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)c2cc(OC)cc(OC)c2)O1	756900263	WMGDGRUTTSQQFD-RISCZKNCSA-N	322.361	1.422	50	20	DDGD	
COC[C@H](C)C(C)=NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C	853376887	ZXUZUPUZFVDMGO-NJZAAPMLSA-N	322.409	1.662	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2ccc[nH]2)cc(OC)c1	755374846	QFDQPGIFROVNGI-UHFFFAOYSA-N	304.306	1.498	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN[C@H](Cc1ccccc1)C1CC1	754200854	PKZMTPXPBJPGPG-OAHLLOKOSA-N	317.433	1.791	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2cc(C)nnc2C)c1	767164479	MJOUGLUFSGWZSI-UHFFFAOYSA-N	314.345	1.242	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NN=C1CCN2CCC[C@@H]12	765559956	NPOKUGSZGWGWEK-LBPRGKRZSA-N	318.333	1.314	50	20	DDGD	
CCOCn1nc(C)c(CC(=O)NNc2ncccc2F)c1C	868255013	LZHZLSARKJTBJE-UHFFFAOYSA-N	321.356	1.714	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@](C)(C2CC2)C(F)(F)F)n1	933581866	OECDHRHMCRCMQM-NSHDSACASA-N	319.287	1.842	50	20	DDGD	
Cn1ccc2ccc(NC(=O)C(=O)NNc3cnccn3)cc21	766260761	WDDWVOSGCQOBHF-UHFFFAOYSA-N	310.317	1.050	50	20	DDGD	
CCc1c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)oc2ccccc12	862462480	XGNKHYQUOOUIHP-LLVKDONJSA-N	315.329	1.035	50	20	DDGD	
Cc1ccc([C@H](C)[C@@H](O)C(=O)NNC(=O)c2ccncc2)cc1	764581283	PXZMOAYCOXTXMK-SWLSCSKDSA-N	313.357	1.316	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCc2ncnc(O)c2C1	866999830	ZOVCQQIJKWDOSJ-UHFFFAOYSA-N	319.814	1.135	50	20	DDGD	
COCCn1cc(C(=O)NNc2cc(F)cc(OC)c2)cn1	866879883	GVIKHZVGHUUAQB-UHFFFAOYSA-N	308.313	1.434	50	20	DDGD	
Cc1cc(C)n2nc(C)c(C(=O)NN[C@H](C)C(F)(F)F)c2n1	862309801	PEYCMIIRYANZJL-SECBINFHSA-N	315.299	1.840	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)[C@@H]1C[C@]12CCOC2	764058223	FODFEAARAHXLMP-HZMBPMFUSA-N	301.306	1.001	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)c2cncnc2)c1	760805200	RMTQSCXWKIZMDL-UHFFFAOYSA-N	305.338	1.556	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCC[C@@H](O)COCc1ccccc1	863775458	NFGLMANYESOQQJ-RTYFKUQISA-N	318.373	1.514	50	20	DDGD	
CCC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)CC)cc1	861803680	AVOUVKDPIQCJDD-JTQLQIEISA-N	319.361	1.411	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@@H]2CC23CCC3)cc1	760120709	JZXWOSKAXSLBEI-ZDUSSCGKSA-N	303.362	1.445	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1cc(F)ccc1Cl	878588230	ZGFPVPMKDUQNFA-UHFFFAOYSA-N	319.720	1.295	50	20	DDGD	
O=C(NNC(=O)c1c(O)cccc1O)c1cc(Cl)ccc1O	770378292	BLVZKBZDQNMBFL-UHFFFAOYSA-N	322.704	1.532	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCCCC(F)F	1119687835	LTXFENJMMFDNGG-UHFFFAOYSA-N	303.284	1.744	50	20	DDGD	
CC(C)(C)c1ccc(NC(=O)NNC(=O)c2cnccn2)nn1	1116590034	CSZYUQHBLNOSCR-UHFFFAOYSA-N	315.337	1.031	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)[C@](C)(O)C2CC2)cc1	874953191	WGTXDWAXVVTYAN-OAHLLOKOSA-N	322.434	1.231	50	20	DDGD	
Cc1nn(C)c(NC(=O)C(=O)NNc2cccc(Cl)c2)c1C	773745585	MEHLMSMARCNFEI-UHFFFAOYSA-N	321.768	1.772	50	20	DDGD	
CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)CCl)cc1	1116437609	JUVAITBAWZVWBA-SECBINFHSA-N	312.753	1.545	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](COCC(C)C)c1ccco1	875197476	PJIPJRCMMGIMGM-LLVKDONJSA-N	313.354	1.906	50	20	DDGD	
CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)c1cccc(C#N)c1	772850079	BEOUXDHSXIUSCF-NSHDSACASA-N	302.378	1.486	50	20	DDGD	
CCn1cc(CNC(=O)NNc2cccc(F)c2Cl)nn1	875735191	CGRBHIMCZOPCOL-UHFFFAOYSA-N	312.736	1.917	50	20	DDGD	
CCc1ccc(C(=O)NNS(=O)(=O)N2CC[C@@H](C)C2)cc1	777913507	MSVHWPINSABVJP-LLVKDONJSA-N	311.407	1.070	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(F)ccc1N(C)C	873803413	FYVSKOZUEXYLCT-SECBINFHSA-N	324.356	1.024	50	20	DDGD	
COC(=O)N1CCC[C@H](NC(=O)NNc2c(C)cccc2F)C1	771314638	FUKMURLJOSMWOL-NSHDSACASA-N	324.356	1.991	50	20	DDGD	
COc1cc(NC(=O)NNc2nccc(OC)n2)cc(OC)c1	775373939	QAGKHYLZTJHOLO-UHFFFAOYSA-N	319.321	1.651	50	20	DDGD	
O=C(NCC(Cl)Cl)Nc1cccnc1N1CCOCC1	1119253127	ZUQSPGMVTXIDQW-UHFFFAOYSA-N	319.192	1.843	50	20	DDGD	
CNC(=O)NNC(=O)[C@H](C)c1c(C)nn(CC(F)(F)F)c1C	778244223	CHRDGSPBMTYNBC-ZCFIWIBFSA-N	321.303	1.126	50	20	DDGD	
O=C(NNc1ccccn1)[C@@]1(O)CCN(Cc2ccccc2)C1	777469133	WWRWQMFZHVOOIJ-QGZVFWFLSA-N	312.373	1.162	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2ccncc2)c(F)c1	771841136	VBVWUVYZBWZNRH-UHFFFAOYSA-N	317.276	1.082	50	20	DDGD	
Cc1noc([C@H]2CCCN(S(=O)(=O)CCCCl)C2)n1	881804748	RBCVULGCESRLMA-JTQLQIEISA-N	307.803	1.516	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1cc2c(cc1F)NC(=O)CC2	779928029	CKLWWASGPNLXNV-UHFFFAOYSA-N	320.324	1.663	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc(F)c(F)c2)nn1	783950486	RBZCQZIHNRUXJV-UHFFFAOYSA-N	307.260	1.145	50	20	DDGD	
CN(C)C(=O)[C@H]1CCC[C@@H](NS(=O)(=O)CCCCCl)C1	780777221	UGFGMIIQCVPYQA-NWDGAFQWSA-N	324.874	1.572	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1ccccc1-n1cncn1	784766887	AVLXKFLBKXHHKK-UHFFFAOYSA-N	322.328	1.349	50	20	DDGD	
Cc1nn(C)cc1[C@H]1CCCN1S(=O)(=O)CCCCl	881985604	CPTRUAHUNYGEPG-GFCCVEGCSA-N	305.831	1.824	50	20	DDGD	
Cn1cc(-c2n[nH]cc2C(=O)NNc2ccc(F)cc2)cn1	780307743	MRAGOEINTXKKAS-UHFFFAOYSA-N	300.297	1.706	50	20	DDGD	
Cn1cc([C@H](NS(=O)(=O)CCCCl)C(F)(F)F)cn1	882134621	KLMSORSIEFTPFZ-QMMMGPOBSA-N	319.736	1.572	50	20	DDGD	
CCOC(=O)N(C)CCCC(=O)NNc1ncc(Cl)cn1	899040558	BVUWNJKWKCGWCA-UHFFFAOYSA-N	315.761	1.442	50	20	DDGD	
O=S(=O)(CBr)NC[C@@H](CCO)c1ccccc1	782455825	WNPFVDADPIDSAQ-LLVKDONJSA-N	322.224	1.424	50	20	DDGD	
COc1cc(C=NNC(=O)C(C)(C)O)ccc1OC(=O)C1CC1	785458161	OZHVXIWSGGQPAV-UHFFFAOYSA-N	320.345	1.232	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)[C@H]1CO[C@H](C)C1	784154165	GTBAFMVEDIGYGA-GHMZBOCLSA-N	324.402	1.360	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	792764123	SHQRMCSAAJYIPB-JOYOIKCWSA-N	309.322	1.417	50	20	DDGD	
COC1(CNS(=O)(=O)CBr)CCC(C)CC1	795263146	DFIPIHXDWGWBQJ-UHFFFAOYSA-N	314.245	1.854	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2nccnc2Cl)n2cccc21	790724097	NKRXRANKLZYELB-VIFPVBQESA-N	305.725	1.592	50	20	DDGD	
CCOc1nccc(C)c1C(=O)NNC(=O)c1cccc(C)n1	794090225	OZFNUAZWYXSKMG-UHFFFAOYSA-N	314.345	1.567	50	20	DDGD	
CC(C)n1ccc(NC(=O)C(=O)NNc2cccnc2Cl)n1	797085319	MMIKOWCCRRVATH-UHFFFAOYSA-N	322.756	1.594	50	20	DDGD	
CCc1nc2c(s1)C(=NNC(=O)N1CCN(C)CC1)CCC2	790174045	NAZIGHSVBYYCLP-UHFFFAOYSA-N	321.450	1.703	50	20	DDGD	
C=C(CBr)CN1CCn2c(nnc2C(F)F)C1	791484548	URTNIWZPVXTZPL-UHFFFAOYSA-N	307.142	1.982	50	20	DDGD	
CCn1ccc(CN(C)[C@H](C)C(=O)NNC(=O)CC(C)C)c1	792315514	KOHKIVXHZMZZHJ-CYBMUJFWSA-N	308.426	1.522	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)[C@H](O)C(C)C)n[nH]2)cc1	795257766	UJWOMKNGZSBPPH-CQSZACIVSA-N	316.361	1.163	50	20	DDGD	
Cc1ccc(NNC(=O)C2CCS(=O)(=O)CC2)cc1Cl	1318767699	LQSAPSGRJOEGSG-UHFFFAOYSA-N	316.810	1.916	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)Cn1c(=O)oc2ccccc21	1327636630	YYDDXYQMEHAHRC-UHFFFAOYSA-N	303.145	1.857	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H](C)c1nncn1C	1321818348	HNAYBIQVPWFRPZ-SECBINFHSA-N	310.789	1.358	50	20	DDGD	
O=C(NCCCOCc1ccccc1)NNc1ccncn1	1324628373	CFIKERMNQBKOCG-UHFFFAOYSA-N	301.350	1.710	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1CC[C@H]2CCCC[C@H]2C1	1329310206	JWGPKAAVVDMQOY-NEPJUHHUSA-N	305.158	1.158	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)CCCc2ccccc2)c(C)n1	1329793625	SQYCFFGPQBBAIK-UHFFFAOYSA-N	314.389	1.995	50	20	DDGD	
CCn1nc(C(C)C)cc1C(=O)NNC(=S)NC(C)(C)C	1331899310	GMMOMIHQGBKVBZ-UHFFFAOYSA-N	311.455	1.934	50	20	DDGD	
COc1ccc(O)c(C(=O)NNc2nncc(N)c2Cl)c1	1337049681	FLGYRLYIWKRNKI-UHFFFAOYSA-N	309.713	1.183	50	20	DDGD	
Cn1nc(CNS(=O)(=O)CBr)c2ccccc21	759133610	ANKDSQWRKKPAQT-UHFFFAOYSA-N	318.196	1.345	50	20	DDGD	
CCN(CC)[C@@H](C(=O)NNc1ccn(C)n1)c1ccccc1	1331513706	QVXDEFGNYPMFSD-OAHLLOKOSA-N	301.394	1.946	50	20	DDGD	
CC1(C)C[C@H](C(=O)NNC(=O)c2ccc(C#N)cc2)CCO1	1337044849	UBLNKOXYTDFXQW-CYBMUJFWSA-N	301.346	1.524	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)Nc2ccccn2)C[C@@H]1Br	1337411636	AZFYDDFEDCEFEK-QPUJVOFHSA-N	312.167	1.310	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cc(C(C)(C)C)nn1C	1349121050	ZONFWDAOFSWTBY-ZJUUUORDSA-N	323.397	1.295	50	20	DDGD	
Cc1cccc(C)c1CCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C	1261452664	JEKOYRRXRMGGLF-ZFWWWQNUSA-N	319.405	1.601	50	20	DDGD	
CCN1CCC[C@@H](NC(=O)NNc2cccc(Cl)n2)C1=O	1263171577	VVYNJMRMOSFDSF-SECBINFHSA-N	311.773	1.372	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc(-c2cn[nH]c2)cc1	1345535974	GXWQQVJMMFEMKI-UHFFFAOYSA-N	317.418	1.984	50	20	DDGD	
CC(C)[C@H](CNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)ON	1263131020	KKGZWPRXFCLMEX-MRBYEJRBSA-N	319.243	1.971	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)N[C@@H]1C[C@@H]2CC[C@H]1O2	1351971147	LHUSHVXYNOEVIP-DMDPSCGWSA-N	315.329	1.697	50	20	DDGD	
C[C@@H]1Nc2ccnn2[C@H](C)[C@H]1CCC(=O)NNc1ncccn1	1520773804	XRPORUOSMVNLSR-TUAOUCFPSA-N	315.381	1.588	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1cc(C(=O)O)c2cc[nH]c2c1	1601553440	HUWOATDTIJXWQM-UHFFFAOYSA-N	316.317	1.819	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@]23CCC[C@@H]2C3)o1	1603407411	XIVSWYAYVKFKAB-XLKFXECMSA-N	317.353	1.611	50	20	DDGD	
Cn1nc2ccccc2c1C(=O)NNc1ccc(C(=O)O)cn1	1601019278	HGXBEFWRLOGSKW-UHFFFAOYSA-N	311.301	1.423	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2c(F)ccc3nc[nH]c23)nc1	1602383655	VVCNKILEGSAGJS-UHFFFAOYSA-N	315.264	1.552	50	20	DDGD	
O=C(O)Cc1ccc(NC(=O)NNc2ncncc2F)cc1F	1602125328	YJKFHUSZHWPGFV-UHFFFAOYSA-N	323.259	1.531	50	20	DDGD	
CC(=NNC(=O)C(=O)O)c1cc(Br)cc(C)c1O	1609549574	MLWVEBOVCTYCLG-UHFFFAOYSA-N	315.123	1.388	50	20	DDGD	
O=C(/C=C/c1cc(C(=O)O)co1)NNC(=O)c1ccccc1F	1608283898	GTCPTKPSTXWQIY-AATRIKPKSA-N	318.260	1.591	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2ccc(C(=O)O)cn2)c1Cl	1605935107	WIQIEVVBWWVUEQ-UHFFFAOYSA-N	323.740	1.715	50	20	DDGD	
CCCN(NC(=O)[C@@](C)(C#N)CC(=O)O)C(=O)OC(C)(C)C	1603672547	KHYGPZIZYOOQFD-CQSZACIVSA-N	313.354	1.669	50	20	DDGD	
CC(=NNC(=O)[C@@]1(C)CCCO1)c1ccc(-c2nn[nH]n2)cc1	1609060298	HUORSTJNHOSVFC-OAHLLOKOSA-N	314.349	1.276	50	20	DDGD	
O=C(O)[C@@H](NNC(=O)C(F)(F)Oc1ccccc1)C1CC1	1610718879	HFHUOFWEOHMGSK-JTQLQIEISA-N	300.261	1.142	50	20	DDGD	
Cn1nc(C(=O)NNc2ccc(C(=O)O)cc2F)cc1C1CC1	1610613066	BHPXIPCIQUQZFT-UHFFFAOYSA-N	318.308	1.892	50	20	DDGD	
O=C(COc1ccc(F)cc1F)NNc1ccc(C(=O)O)cn1	1610671995	ZXHKKKANNPFPJI-UHFFFAOYSA-N	323.255	1.580	50	20	DDGD	
Cc1coc(CC(=O)O)c1C(=O)NNc1ccc(Cl)nn1	1610542851	JCMATRKPMCCNEW-UHFFFAOYSA-N	310.697	1.415	50	20	DDGD	
O=C(O)Cc1cccc(C(=O)NNC(=O)NCc2ccco2)c1	1610793788	GRGZBMXVZMMUMW-UHFFFAOYSA-N	317.301	1.051	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C=NNC(=O)c1ccnnc1	1552454438	OKYYCLKXQJWXDK-BXUZGUMPSA-N	314.349	1.094	50	20	DDGD	
CCOCc1nc(Cl)cc(NNC(=O)[C@H](N)CC(C)C)n1	1578127428	WHQHIELHTHWTML-SECBINFHSA-N	315.805	1.483	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1csc([C@@H](C)N)n1)C1CC1	1576175305	GUWLLOZWRUKGOP-RQJHMYQMSA-N	313.452	1.070	50	20	DDGD	
CCCc1ccc(C(=O)NN(C)C(=O)N2CCNCC2)cc1	1577608303	AHJWRFBKWHABQN-UHFFFAOYSA-N	304.394	1.241	50	20	DDGD	
CC(=O)NC1(C(=O)NNc2ncccc2C(=O)O)CCCCC1	1588503388	VRIIXMCNDJMJKI-UHFFFAOYSA-N	320.349	1.062	50	20	DDGD	
CC(=NNC(=O)C(=O)O)[C@@H]1CCCCN1C(=O)OC(C)(C)C	1589011172	RTXNJKUWXJWDPH-JTQLQIEISA-N	313.354	1.353	50	20	DDGD	
CCc1ccc(C(=O)NNc2ncccc2C(=O)O)c(O)c1	1593635510	UUWXPEDWZPJLFT-UHFFFAOYSA-N	301.302	1.805	50	20	DDGD	
CC(C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)Br)C2	1842615268	SXOXGSRNFBGWPG-SNVBAGLBSA-N	317.227	1.629	50	20	DDGD	
Cc1cccc(CCC(=O)NNc2ccc(-c3nn[nH]n3)cn2)c1	1592228932	LKXXZDYELBYQHZ-UHFFFAOYSA-N	323.360	1.646	50	20	DDGD	
COc1ccc(NNC(=O)/C=C\c2ccc(C(=O)O)o2)nc1	1594105193	GXEFHKIMYLCVMR-DAXSKMNVSA-N	303.274	1.538	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1Cc2ccccc2[C@@H](C(=O)O)C1	1596859464	CHFJICAFLLQOFO-WONIAPNHSA-N	300.314	1.641	50	20	DDGD	
Cn1c(NNC(=O)c2ccc(C(=O)O)cn2)nc2ccccc21	1594522034	OTXOECBYPTUBDL-UHFFFAOYSA-N	311.301	1.423	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](C(=O)O)C2CC2)c1F	1593896764	ITZITONITPHGIB-JTQLQIEISA-N	310.281	1.166	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1ccc2oc(C(=O)O)cc2c1	1776117915	MCCYLYNRBMMXJI-KPKJPENVSA-N	314.297	1.801	50	20	DDGD	
CC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)C	1795579072	TZBWJJTUYINOBM-RNJOBUHISA-N	315.845	1.204	50	20	DDGD	
COCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Cl)C2	1792946375	CVRIDSJSRUDOHB-NOHGZBONSA-N	320.792	1.586	50	20	DDGD	
COc1ccc(C=NNC(=O)c2sc(N)nc2C)cc1OC	13113968	RJMDFNRIJLNRDQ-UHFFFAOYSA-N	320.374	1.815	50	20	DDGD	
O=C1Nc2cccc(Br)c2C1=NNC(=O)C1CC1	17647524	XDCQOOKUVLPHNS-UHFFFAOYSA-N	308.135	1.632	50	20	DDGD	
CC(C)CC(=O)NCCC(=O)NNC(=O)Cc1ccc(F)cc1	158568223	UYXNTCSFUHOPBG-UHFFFAOYSA-N	323.368	1.068	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@H](C)C(=O)NNC(=O)c1ccccc1	151507428	GPEVCKBXUWCDEB-NSHDSACASA-N	314.389	1.677	50	20	DDGD	
C=C(C)CN(CC)CC(=O)NNC(=O)Cc1ccccc1C	152541272	BVKCJJGQTPQAGM-UHFFFAOYSA-N	303.406	1.583	50	20	DDGD	
O=C(NNc1nccc(N2CCOCC2)n1)[C@@H]1CC=CCC1	155562925	WXOQAOURYCZTIE-GFCCVEGCSA-N	303.366	1.113	50	20	DDGD	
Cc1cc(C)n2ncc(C(=O)NNc3ccc(C#N)cc3)c2n1	155679435	YHMUJVVJUAHVNB-UHFFFAOYSA-N	306.329	1.975	50	20	DDGD	
N#C/C(=C/C=C/c1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C1	35374012	HIZRJTUEEKCQPM-VMJWMCMESA-N	316.382	1.453	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Cc2ccc(C)c(C)c2)n1	8292068	ISHCWGZGVMCORR-UHFFFAOYSA-N	314.389	1.507	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2cccnc2)cc([N+](=O)[O-])c1	103422819	HTGONHOKSURGDG-UHFFFAOYSA-N	314.301	1.302	50	20	DDGD	
CCOC(Cn1cc(C(=O)NNc2ccccc2)nn1)OCC	111552578	JJEUORVLHXLLCC-UHFFFAOYSA-N	319.365	1.434	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1ncoc1C	102325378	JCEROAJQHOBHLE-UHFFFAOYSA-N	309.709	1.720	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)CCC(F)(F)F)cc1	175139448	XPRPESJXMLFWPG-UHFFFAOYSA-N	319.283	1.597	50	20	DDGD	
CSC[C@H](C)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	66817203	LGBSNXNLGFINIH-VHSXEESVSA-N	314.382	1.740	50	20	DDGD	
O=C(NCc1ccc(-n2cccn2)cc1)NNC(=O)c1ccc[nH]1	119690660	AEWFUMOZPJJAAB-UHFFFAOYSA-N	324.344	1.345	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1cc(C)no1	72728543	LOCYQYLXWPBJIM-UHFFFAOYSA-N	303.318	1.385	50	20	DDGD	
CCNC(=O)NNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1	65190801	QFDSTKMQAAKKFD-UHFFFAOYSA-N	322.365	1.998	50	20	DDGD	
O=C(CCc1ccoc1)NNC(=O)Cc1cn2ccccc2n1	177331389	YQFZEJBNVSNIMH-UHFFFAOYSA-N	312.329	1.250	50	20	DDGD	
O=C(COc1ccccc1)NNC(=O)Cc1cn2ccccc2n1	173878102	DLPIZISDUSWRET-UHFFFAOYSA-N	324.340	1.103	50	20	DDGD	
CCn1cc(C(=O)NNc2ccc(C(F)(F)F)nn2)cn1	124147180	UYZKOJWAKGFHSY-UHFFFAOYSA-N	300.244	1.469	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnn(-c2ccc(Cl)cc2)c1	65189615	YJQHJNWSTGYJCE-UHFFFAOYSA-N	307.741	1.490	50	20	DDGD	
CC(=O)Nc1ccc(F)c(C(=O)NNc2ncc(F)cn2)c1	123289457	MCXULHOIUXFIFP-UHFFFAOYSA-N	307.260	1.470	50	20	DDGD	
CCc1ncsc1NC(=O)C(=O)NNc1cccc(F)c1	120953034	YUGXIJCGBNNWDS-UHFFFAOYSA-N	308.338	1.926	50	20	DDGD	
O=C(NNS(=O)(=O)C1CC1)c1cc2c(s1)CCCCC2	171331254	QUEVFZBJBRXDGW-UHFFFAOYSA-N	314.432	1.744	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1csc([N+](=O)[O-])c1	120180667	VRYQWFSFRYXKCI-UHFFFAOYSA-N	307.353	1.012	50	20	DDGD	
C#CCCCCC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	179636416	WSHYWLSQKPABPI-GFCCVEGCSA-N	306.337	1.934	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@H]1CC(=O)N(C2CCCC2)C1	182491131	KQWOGWYZYBVOMY-JTQLQIEISA-N	306.341	1.455	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCC(C)CC2)c(O)c1	121232780	ZSBXVGZAECHYES-UHFFFAOYSA-N	305.378	1.194	50	20	DDGD	
CC(C)N(C)CC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	63465244	ZDUFRQBWSBVLKZ-LLVKDONJSA-N	323.462	1.974	50	20	DDGD	
CCOC(=O)CNS(=O)(=O)c1ccc(CCCl)cc1	37564137	WCNDVSANAGEYTM-UHFFFAOYSA-N	305.783	1.309	50	20	DDGD	
CCOC(=O)c1nn(-c2ccccc2)cc1/C=C(\C#N)C(=O)NC	213518332	FIKDMYILYGRLSC-FMIVXFBMSA-N	324.340	1.702	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCC[C@H](C)N2CCCCC2)n1	182664202	HLPXRLOCLRJDRX-AWEZNQCLSA-N	320.441	1.984	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cnns2)c(C)c1	76950349	IMXSAHCNXXCGFC-UHFFFAOYSA-N	305.363	1.028	50	20	DDGD	
O=C(NN[C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc[nH]1	123659325	IELWMGGZEUYGKO-CQSZACIVSA-N	316.336	1.408	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)Cc1cc(C)on1	72834692	MYKSSXJNFVLLDZ-UHFFFAOYSA-N	323.736	1.649	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C1(OC)CCCCC1	185748092	XEOCYQQMQLMVJF-UHFFFAOYSA-N	306.362	1.806	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)/C=C(\C)C2CC2)nc1C	182713442	PCCFCRYFCPKSEI-VQHVLOKHSA-N	304.350	1.761	50	20	DDGD	
C[S@@](=O)c1ccc(NC(=O)NNC(=O)c2ccncc2)cc1	186161148	TWAITLTZDWKBSA-JOCHJYFZSA-N	318.358	1.286	50	20	DDGD	
CCOc1ncccc1C(=O)NNC(=O)CCc1ccccc1	132616877	XIHBXIRBZKMDAQ-UHFFFAOYSA-N	313.357	1.874	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1C(=O)CCC2	192456151	KLLNTSANDMAXRU-UHFFFAOYSA-N	313.313	1.577	50	20	DDGD	
Cc1ccc2oc(C(=O)NNc3nc4ccccn4n3)cc2n1	191898691	HAGPEZROUVCLKX-UHFFFAOYSA-N	308.301	1.936	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)C1CCN(C2CC2)CC1	192508297	MZXWKGCVVNQCDQ-UHFFFAOYSA-N	319.380	1.390	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NC1CCCCC1	42084306	PLEHDNBFXQHYOV-UHFFFAOYSA-N	305.378	1.901	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H]1CCN(c2ncccc2F)C1	132689430	DCVGAYXMHIPNMO-LMMOQWNQSA-N	304.325	1.360	50	20	DDGD	
CCc1ccc(CNC(=O)NNc2nccc(OC)n2)s1	46945483	WJAUHFWAKDBUNR-UHFFFAOYSA-N	307.379	1.935	50	20	DDGD	
CCCNc1ccc(CNC(=O)NNC(=O)c2ccc[nH]2)cc1	192575894	UBIOMYPUHDODKA-UHFFFAOYSA-N	315.377	1.981	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1csc(Cc2ccccc2)n1	194918563	HXQYJNCPBOALKH-UHFFFAOYSA-N	304.375	1.650	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@@H]1COc2ccccc2C1	193305783	MIWZMRLIJAEKFG-JTQLQIEISA-N	319.752	1.760	50	20	DDGD	
CCn1c(C)cc(C(=O)NNC(=O)Cn2nc(C)cc2C)c1C	192771893	AFOWUAUYKBISSR-UHFFFAOYSA-N	317.393	1.399	50	20	DDGD	
O=C(COc1ccc(Cl)cc1)NNC(=O)Nc1cccnc1	194473391	OWZSFNFBSMELDV-UHFFFAOYSA-N	320.736	1.967	50	20	DDGD	
COc1ccc(-n2ccc(C(=O)NNC(=O)C(C)(C)C)n2)cc1	97376587	VHOQGRJECCLCER-UHFFFAOYSA-N	316.361	1.688	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Cc2ccncc2)c(C(C)(C)C)n1	92246022	RWTNGNZDWMLDOV-UHFFFAOYSA-N	315.377	1.116	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N=c2sccn2C)cc(C#N)n1C	255912027	GDIKUJWUHCISQA-HGLSAHSWSA-N	311.370	1.640	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCCOC)cc1[N+](=O)[O-]	266963429	WGDRZMVWKCRSLH-UHFFFAOYSA-N	324.337	1.138	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)c1n[nH]c2c1CCC2	263935938	GCWAOMANUIJSEM-UHFFFAOYSA-N	312.373	1.682	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CC(=O)NNC(=O)c1ccccn1	269961359	YPYXWAGQVCDZNR-SECBINFHSA-N	302.334	1.641	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNC(=O)c2ccccc2C)C1	269416464	GJZNVTNXANBGCF-LBPRGKRZSA-N	303.362	1.015	50	20	DDGD	
COC(=O)CCCNC(=O)NNC(=O)C(C)(C)c1ccccc1	264681685	ZGXPPBOKXVTMJX-UHFFFAOYSA-N	321.377	1.248	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)C1CCSCC1	264839721	DAVFOCYKHGZZBC-UHFFFAOYSA-N	305.363	1.718	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNS(=O)(=O)C3CC3)cc2C1	263840663	IPRRQZFGOAKQGN-MRVPVSSYSA-N	314.432	1.600	50	20	DDGD	
O=C1COc2ncc(C(=O)NNc3ccc(F)cc3)cc2N1	369854098	TYTWFMTUMWRCQC-UHFFFAOYSA-N	302.265	1.309	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2C)[C@H]1OC	274884453	DOLHJIKSZUUMQJ-BFHYXJOUSA-N	321.377	1.131	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1cccc(N2CCCNC2=O)c1	274170756	WOIXNBCGJAQBTF-UHFFFAOYSA-N	317.349	1.169	50	20	DDGD	
O=C1CCCC[C@@H]1[C@H]1CCCN1S(=O)(=O)CBr	364904862	JTSGJTKNZJNZMB-NXEZZACHSA-N	324.240	1.892	50	20	DDGD	
C[C@H](NC(=O)CC(C)(C)C)C(=O)NNC(=O)c1ccccc1F	275118152	OTAZXHIGAMJKEB-JTQLQIEISA-N	323.368	1.528	50	20	DDGD	
ICCN1CCN(Cc2ccco2)CC1	277486632	OFWBRKHACBARMD-UHFFFAOYSA-N	320.174	1.832	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CCC[C@H]1[C@@H]1CCCO1	283971340	LDDSJFXUOZWUKN-GJZGRUSLSA-N	317.389	1.993	50	20	DDGD	
CC(C)(C(=O)NNc1nccnc1C1CCC1)N1CCOCC1	286927824	IWSMETKLKBZEJN-UHFFFAOYSA-N	319.409	1.298	50	20	DDGD	
O=C(NNc1ncccc1F)[C@H]1CC(=O)N(Cc2ccco2)C1	285820913	BTLNMGRDDIVFOT-JTQLQIEISA-N	318.308	1.306	50	20	DDGD	
COCCN(C)NC(=O)CCc1c(C)nn(CC(C)C)c1C	288399274	KLVWBALYGJQWAS-UHFFFAOYSA-N	310.442	1.698	50	20	DDGD	
Cn1nc(NC(=O)NNc2cc(Cl)nc(N)n2)cc1C1CC1	290681328	UBJLCVABHMLWNG-UHFFFAOYSA-N	322.760	1.472	50	20	DDGD	
C[C@H](OCC1CC1)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	802001851	WYQITLPITLTVAZ-QMMMGPOBSA-N	313.304	1.933	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc(-n3cccc3)ccn2)O1	294386992	WVCWTCQFEWYIKG-FZMZJTMJSA-N	314.345	1.201	50	20	DDGD	
CO[C@H]1COC[C@@H]1NC(=O)NNc1ccccc1C(F)(F)F	291566497	XJAHJQJKUFPXFJ-QWRGUYRKSA-N	319.283	1.745	50	20	DDGD	
CN(C)N(C(=O)c1cccc2cc[nH]c12)[C@H]1CCS(=O)(=O)C1	292858493	YMDMUZPDRSVBNC-LBPRGKRZSA-N	321.402	1.274	50	20	DDGD	
CN(CC(=O)NNc1cccc(F)n1)C(=O)c1cccs1	804765233	KFQYEUHSNQUIMT-UHFFFAOYSA-N	308.338	1.498	50	20	DDGD	
Cc1cccc(Cl)c1NC(=O)C(=O)NNC(=O)C(C)(C)C	298673810	RNVQZCOPHOAYGJ-UHFFFAOYSA-N	311.769	1.780	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cnc(C(F)(F)F)c(C#N)c1	293377056	GALMSJXMUMUZNT-UHFFFAOYSA-N	314.267	1.779	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2cnn(C)c2N)c(Cl)c1	802050094	ZKBDWUCOHZNJOF-UHFFFAOYSA-N	322.756	1.431	50	20	DDGD	
Cn1cncc1C(=O)NNC(=O)c1ccc(Cl)cc1Cl	809557442	CFODDJSATRBABL-UHFFFAOYSA-N	313.144	1.802	50	20	DDGD	
CCCCCOCC(=O)NNC(=O)c1ccc2c(c1)OCCO2	299327390	KWVZZVPCBMPMIL-UHFFFAOYSA-N	322.361	1.426	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)CSc1ccccc1O)C1CC1	291848701	GGUUVDDXNNZCKE-OAHLLOKOSA-N	324.402	1.447	50	20	DDGD	
Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NNC(=O)[C@@H](C)O	294265841	GMOZSEIZKNSCLZ-ZJUUUORDSA-N	314.769	1.252	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNC(=O)C(C)C)cc1Cl	806974870	XIVOCDVAWFGJMX-UHFFFAOYSA-N	311.769	1.644	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCC2=CCCOC2)cc(C#N)n1C	292239779	IZDWDMDFROJBTH-GIDUJCDVSA-N	310.357	1.575	50	20	DDGD	
CN(NC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)OC(C)(C)C	297510986	CAKKQRRHBRASHY-UHFFFAOYSA-N	318.333	1.435	50	20	DDGD	
O=C(COCCOc1ccccc1)NNc1cccc(F)n1	804765441	NWPQCEIULGZQAJ-UHFFFAOYSA-N	305.309	1.759	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCN1c2ccccc2C[C@@H]1C	299338805	FAOKPKACKCEYBN-ZDUSSCGKSA-N	318.421	1.814	50	20	DDGD	
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NN(C)C1CC1	819640898	GSSAEMCJBRFEOI-INIZCTEOSA-N	314.389	1.341	50	20	DDGD	
O=C(NNC(=S)NC1CCC1)c1cccc(OC(F)F)c1	814197131	SGIVTTLSOZAUIL-UHFFFAOYSA-N	315.345	1.949	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)c2ccc(Cl)cc2O)c(C)o1	814311736	WGQHLEMDYZOOAJ-UHFFFAOYSA-N	309.709	1.725	50	20	DDGD	
COC(=O)C[C@H]1CCC(=NNC(=O)N=c2cc[nH]cc2)[C@H]1C	815002114	MTESTPKDZGYSGL-WDEREUQCSA-N	304.350	1.590	50	20	DDGD	
Cn1nncc1NNC(=O)c1cc(-c2cccc(Cl)c2)no1	816770452	YCRRZYFRVORSKK-UHFFFAOYSA-N	318.724	1.880	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2cnn(CC(F)F)c2)ccn1	814221897	QIFOEVDZVMDUIQ-UHFFFAOYSA-N	322.319	1.373	50	20	DDGD	
O=C(O)CC1(CC(=O)NNC(=O)c2ccc(O)cc2)CCC1	817570908	KWGXSFSSVHNNNX-UHFFFAOYSA-N	306.318	1.188	50	20	DDGD	
O=C(O)CCCNC(=O)NNc1c(F)c(F)nc(F)c1F	819443104	ORDLIGVUKLFLBQ-UHFFFAOYSA-N	310.207	1.129	50	20	DDGD	
CCOc1cc(C=NNC(=O)c2cnccn2)cc(Cl)c1O	818285056	AIEFVOJFTRVHQW-UHFFFAOYSA-N	320.736	1.998	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1ccc(Cl)c(N)c1	814761437	WEBUTDNJWQVGPA-UHFFFAOYSA-N	308.769	1.385	50	20	DDGD	
N#CSCCCNC(=O)[C@@H]1CN(Cc2ccccc2)CCO1	816538712	CLXYWWUGIQTLCO-HNNXBMFYSA-N	319.430	1.608	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccc2c(c1)CCCC2=O	815746351	GBVJHJRQBUHUML-UHFFFAOYSA-N	323.352	1.604	50	20	DDGD	
O=C(NNC(=O)N1CCO[C@H]2C[C@@H]21)c1cccc2ccccc12	814305767	NHDCMDSMRRZUGP-GJZGRUSLSA-N	311.341	1.667	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCCO2)c1cc(CO)on1	812224997	YGMYZOFQWJHGMF-UHFFFAOYSA-N	317.301	1.092	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)c1ccc(OC)c(OC)c1	812446588	HEMYQTPUPDJNQF-WDEREUQCSA-N	324.377	1.383	50	20	DDGD	
CC(C)N1C(=O)C(=NNC(=O)N=c2cc[nH]cc2)c2ccccc21	815000152	GNBXAFGIFGTMTQ-UHFFFAOYSA-N	323.356	1.784	50	20	DDGD	
CSCCNC(=O)NNC(=O)COc1cc(C)ccc1C	726278861	LLVGAFXUGKPZGK-UHFFFAOYSA-N	311.407	1.376	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccc(F)cc1)CC(C)(C)C#N	814669778	IFBCELGFUGPBPP-UHFFFAOYSA-N	306.341	1.068	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CCc2ncccn2)c1	812535003	UVGQUPPSYVLIKV-UHFFFAOYSA-N	315.402	1.735	50	20	DDGD	
COc1ccc(O)c(C=NNC(=O)Cc2nc(C)cs2)c1	725855646	AFVGOQQQEARRHM-UHFFFAOYSA-N	305.359	1.859	50	20	DDGD	
CCN(CCO)NC(=O)c1ccsc1NC(=O)c1ccco1	823860541	VKEHSODGGKUJHM-UHFFFAOYSA-N	323.374	1.552	50	20	DDGD	
Cc1ccc(F)c(CCNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	826922770	FEVQEHJQXMRLOL-WCQYABFASA-N	323.368	1.432	50	20	DDGD	
CON1CCC(NC(=O)/C(C#N)=C\c2ccc(F)cc2)CC1	491014958	ZBOASKVUEBXATC-RAXLEYEMSA-N	303.337	1.875	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@H]2CCC[C@@H]2c2ccccc2)cn1	825909611	CVHMXOLGGMPHSB-CABCVRRESA-N	312.373	1.765	50	20	DDGD	
CCN(CCO)NC(=O)Cc1cc(F)ccc1Br	823870083	YDGAPRQMHPJWJB-UHFFFAOYSA-N	319.174	1.476	50	20	DDGD	
Cn1ccc2c(C(=O)NNC(=O)NCc3ccco3)cccc21	726939674	MQUPSLDNJPZLEU-UHFFFAOYSA-N	312.329	1.916	50	20	DDGD	
CCN(CCO)NC(=O)c1cc2sc(N(C)C)nc2s1	823852835	QHAGUHGUCMWQGO-UHFFFAOYSA-N	314.436	1.383	50	20	DDGD	
CSc1c(F)cccc1NC(=O)NNC(=O)CN(C)C	824355500	BYYJWXQEPQDNPI-UHFFFAOYSA-N	300.359	1.262	50	20	DDGD	
CC/C(C)=C/C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1	828392050	JASLCZYOSHJJMV-CSKARUKUSA-N	323.780	1.460	50	20	DDGD	
CCOC(=O)NNC(=O)[C@](N)(c1cccc(F)c1)C(F)(F)F	497252854	LRBOSTKCZBMVDK-LLVKDONJSA-N	323.246	1.319	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C2CCN(C)CC2)c1C	824126012	STBLCNJWIGXZNH-UHFFFAOYSA-N	320.462	1.963	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]1C	827276222	YVOSSCUSZKZTHL-AATLWQCWSA-N	323.315	1.425	50	20	DDGD	
COCCC1(C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCC1	826155223	KAJVWFGMTSRQFS-UHFFFAOYSA-N	316.365	1.517	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNc2ccc(C(F)(F)F)nn2)CCN1C	827317304	SBJKCWQLYHIZTP-HTQZYQBOSA-N	303.288	1.279	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])[C@H]1CC12CCSCC2	826896922	IRFMYKNFYROZFU-SECBINFHSA-N	308.363	1.966	50	20	DDGD	
Cc1cc(F)cc2c1CN(CC(=O)NNC(=O)C(C)C)CC2	829481340	HJWSKETURFECSK-UHFFFAOYSA-N	307.369	1.296	50	20	DDGD	
CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)NN(CC)CCO	823855754	FISQFIXOVOAFDP-HNNXBMFYSA-N	317.430	1.415	50	20	DDGD	
CCN(CC)CCC[C@H](C)NC(=O)/C(C#N)=C/c1cnn(C)c1	491175186	KHARMQZPVXPSRP-KNGSKEOJSA-N	317.437	1.954	50	20	DDGD	
COC(=O)NNC(=O)[C@@H](CC(C)C)NC(=O)c1ccccc1C	490596066	FWAINACGDQRGDP-CYBMUJFWSA-N	321.377	1.527	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@H]2CCS[C@@H]2C)cc1	827648702	FGPATQXRKKKGKP-SKDRFNHKSA-N	324.406	1.925	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@]2(Cl)C[C@H]3CC[C@H]2O3)cc1	905129032	PSCPMKGQWTYKSY-XJKCOSOUSA-N	322.792	1.939	50	20	DDGD	
CCS(=O)(=O)Cc1ccc(NC(=O)NN(C)C2CC2)cc1	824366839	KCAWXAMBLJYNPX-UHFFFAOYSA-N	311.407	1.752	50	20	DDGD	
CCOC(=O)NNC(=O)CN(CC1CC1)C(=O)OC(C)(C)C	491929957	FNVFWSWRTUVUMH-UHFFFAOYSA-N	315.370	1.411	50	20	DDGD	
COC(=O)N(C)NC(=O)Cc1csc(-c2cccnc2)n1	497060713	CJYKIFRXJVCMQR-UHFFFAOYSA-N	306.347	1.477	50	20	DDGD	
O=C(NCc1cccc2c1OCO2)NNc1ccc(F)cn1	731359890	RDBOJZPWJUZGGV-UHFFFAOYSA-N	304.281	1.776	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CC[C@H]2O)c1C	491013799	VIPALPGZTVKGDV-KUKCEQTMSA-N	317.389	1.298	50	20	DDGD	
O=C(NN=Cc1cnc2ccc(Cl)cn12)c1cnccn1	737429100	MWZQFDLBXKONBN-UHFFFAOYSA-N	300.709	1.542	50	20	DDGD	
CC(=O)OC1CCN(C(=O)[C@@]2(C)C[C@H]2Br)CC1	907115924	PFJCGJQDHADYTJ-PWSUYJOCSA-N	304.184	1.714	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@]2(C)CCCC[C@@H]2O)cn1	491007299	FWNJRKMUGMMNEB-GZTMPHGLSA-N	302.378	1.384	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)NCc2cocn2)c1	730912309	RCXOLFRIUWTBJZ-UHFFFAOYSA-N	318.333	1.201	50	20	DDGD	
CCC[C@H](C)c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1	585000335	JXUWKMMWPHRIJN-JTQLQIEISA-N	301.155	1.245	50	20	DDGD	
CCC(CC)(CCO)CNC(=O)/C(C#N)=C/c1cnn(C)c1	491160160	KKQKMZXAFDLZGM-RIYZIHGNSA-N	304.394	1.632	50	20	DDGD	
COc1ccc([C@H](C)[C@H](C)NCc2ccccc2B(O)O)cc1	585026931	UNGRVFRALMZUTJ-KGLIPLIRSA-N	313.206	1.657	50	20	DDGD	
C[C@@H](CC1CCCCC1)NC(=O)c1cc(B(O)O)ccc1F	584983254	VEBOWNVZUXGBDZ-NSHDSACASA-N	307.174	1.594	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2)CC1=O	839706245	PAKATYHIKDWOAR-JTQLQIEISA-N	306.322	1.296	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CCc1ccccc1C(=O)O	833430366	AIFTWPATTOZIIR-UHFFFAOYSA-N	323.418	1.611	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)c2ccc(OC)cc2OC)n1	834954801	BEWFGWSXMFAMQX-UHFFFAOYSA-N	317.349	1.388	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccnn1C1CCCC1	833246792	RPJKQGMXXLXFCF-ZDUSSCGKSA-N	306.366	1.328	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNC(=O)C(C)(C)c2ccccc2)c1	731200283	JNLVHIQUKLBGLD-UHFFFAOYSA-N	313.357	1.956	50	20	DDGD	
COc1ccccc1CNC(=O)NNC(=O)[C@@H]1CCCCO1	836184247	NXOAAQCXVKTPRP-ZDUSSCGKSA-N	307.350	1.095	50	20	DDGD	
O=C(NNc1cnccn1)[C@@H]1CC(=O)N(C2CCCCC2)C1	734244091	NZJWJFDETSHNHW-LLVKDONJSA-N	303.366	1.101	50	20	DDGD	
C[C@H]1CC=C(C(=O)NNC(=O)Cn2cnc3ccccc32)CC1	836210180	UESSJPZWVVKLDP-LBPRGKRZSA-N	312.373	1.930	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H]2CC[C@H](C(=O)O)C2)cccc1[N+](=O)[O-]	831077395	LARSUIBFUHCYJF-VHSXEESVSA-N	322.321	1.783	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H](C)CC(=O)O)c1C	832972562	FCRGMGCGAXXLLN-ZYHUDNBSSA-N	322.361	1.329	50	20	DDGD	
CCn1cccc(CNC(=O)[C@]2(C)C[C@H]2Br)c1=O	907832900	BYJXJNGCBRDSQO-ZWNOBZJWSA-N	313.195	1.658	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@H]2CCCCO2)cnc2ccccc12	833246148	DURKGMKEAAANNR-OAHLLOKOSA-N	313.357	1.873	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2ccc(C)c(C)n2)n1	838752264	CJLNLICNTLCHSG-UHFFFAOYSA-N	302.338	1.323	50	20	DDGD	
CN(CCCCNC(=O)NNC(=O)c1ccccc1F)C1CC1	836428175	FKNKGYKKXHQCKI-UHFFFAOYSA-N	322.384	1.644	50	20	DDGD	
CC(CS(=O)(=O)c1ccccc1)=NNC(=O)[C@H]1CCCCO1	834988081	DTUBEJIVEPMERO-CQSZACIVSA-N	324.402	1.522	50	20	DDGD	
COCC(=O)NNC(=S)Nc1ccc(SC(F)F)cc1	913479075	MCEHXPSXPYSQCF-UHFFFAOYSA-N	321.374	1.965	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc2[nH]nc(C(=O)O)c2c1	833421778	CTWUYQJIJIDOJP-UHFFFAOYSA-N	319.321	1.460	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)nn1C	917523231	VDKNLCXGUOEELJ-UHFFFAOYSA-N	324.344	1.193	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)[C@H]1C[C@@H]1c1ccc(F)cc1	743470093	NJPNDANZTKZZOP-MNOVXSKESA-N	312.308	1.739	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(OC)c(-n2cnnn2)c1	741648992	STJNOMFVWZXMBO-CSKARUKUSA-N	314.305	1.053	50	20	DDGD	
CC[C@@](C)(CNC(=O)NNC(=O)c1ccccc1OC)OC	836292429	QBJXPKWRTPZHRS-HNNXBMFYSA-N	309.366	1.454	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=O)OCC(F)(F)F)C1	912597697	ZSYUZKIPGCLXFS-SVRRBLITSA-N	320.271	1.395	50	20	DDGD	
Cc1ccc(Br)nc1C(=O)NN(C)C[C@@H](C)O	910154220	XMHROYUBVNTXBZ-MRVPVSSYSA-N	302.172	1.110	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@]2(C)CCc3ccccc3C2)nc1O	743295204	IADQVBJFCSENEJ-INIZCTEOSA-N	313.361	1.524	50	20	DDGD	
CC[C@H](C)C[C@@H](C)NC(=O)NNC(=O)[C@H](C)OCCOC	748636642	UMARMTLECXSQLL-TUAOUCFPSA-N	303.403	1.193	50	20	DDGD	
C[C@@H]1CC(C)(C)CCC1=NNC(=O)[C@@H](C)NS(C)(=O)=O	748252591	VXGYBPAELFPBEK-NXEZZACHSA-N	303.428	1.243	50	20	DDGD	
CCNC(=O)NNC(=O)CC1(NC(=O)OC(C)(C)C)CCC1	746838393	FHNQWQHOIZQILB-UHFFFAOYSA-N	314.386	1.174	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NNC(=S)NC1(C)CCC1	840703388	WYZBOMCFXUPKRG-LBPRGKRZSA-N	312.483	1.546	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@H](C)c2cnn(C)c2)o1	749932743	BYDJLVNNYNLYEP-SECBINFHSA-N	302.338	1.650	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1ccc([C@@H](C)N)cc1	841125038	CSNOVUOOPZJLLN-SECBINFHSA-N	313.448	1.772	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H]2COCCO2)c1	745173093	FPNYFOAQNPKWHR-LBPRGKRZSA-N	309.391	1.036	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc2cccnc2s1	843659113	IAZLKEHGMDGAHB-SCZZXKLOSA-N	305.359	1.482	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C2(O)CCCCC2)cc1	846375061	ZYYPWAIGAVKCIL-UHFFFAOYSA-N	306.362	1.540	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)CC(F)(F)F)C[C@@H]1Br	911424621	CUQMSSSORKJZHS-MHTLYPKNSA-N	303.078	1.260	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2cscn2)cc1C	918711299	KBMUCMAPPYHVPR-UHFFFAOYSA-N	302.359	1.849	50	20	DDGD	
O=C(CNC(=O)C1CC1)NNc1ccccc1Br	748066011	LRTXYNDTSIVNAF-UHFFFAOYSA-N	312.167	1.418	50	20	DDGD	
CC1(C)Cc2cc(C(=O)NNc3ncnc4[nH]cnc34)ccc2O1	844135369	VVFKIEQPTYWDJA-UHFFFAOYSA-N	324.344	1.823	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)COCc1nc2ccccc2s1	910177971	PGMPPFMCSBEMMD-JTQLQIEISA-N	309.391	1.157	50	20	DDGD	
CC(=NNC(=O)CSc1nc(C)cc(C)n1)[C@H]1CCOC1	741759546	BSBHSRWDJASXFV-LBPRGKRZSA-N	308.407	1.714	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(Cl)c(Cl)n1C	843640369	CDNQWUKJGTZUHH-RQJHMYQMSA-N	320.176	1.518	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)Cc1ccc(C#N)cc1	847462253	VFZLGQJMRUODMT-SNVBAGLBSA-N	311.345	1.230	50	20	DDGD	
COCCOC[C@H](C)NC(=O)NNc1ccc(Cl)nc1	745862950	AKCCIKIEFOSKQN-VIFPVBQESA-N	302.762	1.413	50	20	DDGD	
O=C(Cc1cccc(C2CC2)c1)NNC(=O)N1CCOCC1	840297789	CYBNUIGGGXPAMB-UHFFFAOYSA-N	303.362	1.180	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CCn2ccnc2)cc1	846371392	COYHRZLHKAJQQH-UHFFFAOYSA-N	302.334	1.132	50	20	DDGD	
Cc1ccc(OCC(=O)NNc2ccnc(N(C)C)n2)c(C)c1	740102553	LRDSJAYUTAAYBS-UHFFFAOYSA-N	315.377	1.682	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1cccc(NC(=O)COC)c1	914611945	LCYUDKUDSPMGBK-RAXLEYEMSA-N	317.345	1.332	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@]1(c2ccccc2)CCC(=O)NC1	847891823	IYLGYTCTWRHNGK-SFHVURJKSA-N	324.384	1.681	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1ccncc1F	741207059	NVOXOGDWFMULBD-UHFFFAOYSA-N	319.292	1.069	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1c(F)cccc1F	843657720	CYWNUTDNEQGKMU-GUBZILKMSA-N	312.316	1.641	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1Cc2ccccc2S1	843642122	IYIOKXMXOOVQML-NDMJEZRESA-N	306.387	1.276	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H](C)C(=O)OC(C)(C)C	840412330	HFQTYBCQNXWQJS-JTQLQIEISA-N	322.361	1.894	50	20	DDGD	
CS(=O)(=O)c1ccc(NC(=O)NN=C[C@H]2CCOC2)cc1	741770127	FECJKAKLZQQWEQ-SNVBAGLBSA-N	311.363	1.234	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc([N+](=O)[O-])c1)[C@@H](C)S(C)(=O)=O	841409913	XSFOTDAROZSKBW-RKDXNWHRSA-N	315.351	1.107	50	20	DDGD	
CO[C@@H](CS(=O)(=O)NNC(=O)NC(C)C)C1CCCCC1	849307201	LPSDTMUKCDPJIP-LBPRGKRZSA-N	321.443	1.124	50	20	DDGD	
Cn1c(NNC(=O)Cc2n[nH]c3c2CCCC3)nc2ccccc21	848380498	ICOBWEKMRQSDPC-UHFFFAOYSA-N	324.388	1.861	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)C(=O)NNc1ccnc(N(C)C)n1	740102136	CMAVXHIJMHSASK-MRVPVSSYSA-N	304.354	1.394	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNc1ncc(Br)cn1	848322441	BTILJGNGQQRNDO-VIFPVBQESA-N	317.187	1.743	50	20	DDGD	
COc1ccc(C=NNC(=O)NCC(F)(F)F)cc1C#N	741762866	VJNZUIXJNUUWFB-UHFFFAOYSA-N	300.240	1.762	50	20	DDGD	
Cc1ccncc1C(=O)NNC(=O)Cn1ccc2ccccc21	741924435	KIAPKYHTAOGIPQ-UHFFFAOYSA-N	308.341	1.806	50	20	DDGD	
COCCOCC(C)=NNC(=O)C(=O)Nc1ccc(C)cc1	741164090	WWMNYSIGZPAJSC-UHFFFAOYSA-N	307.350	1.089	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(-c2ccccc2)c(C)nc1O	749927992	YXZLCEDKPZETAZ-UHFFFAOYSA-N	300.318	1.336	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN[C@H]2CCCC[C@@H]2C)cc1	921206708	RNOKBFOJBIYLFN-ZFWWWQNUSA-N	303.406	1.924	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1NC(=O)NNc1ccc(-n2ccnc2)nn1	841590818	UEVIGERIZQCJET-WDEREUQCSA-N	301.354	1.333	50	20	DDGD	
COCC1(CC(=O)NNC(=O)Cn2ccc3ccccc32)CC1	843544592	DLNOBSHWSRWKJX-UHFFFAOYSA-N	315.373	1.605	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1ncc(Br)s1	842548661	AXUGTGMQKAJNAW-RQJHMYQMSA-N	318.196	1.781	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CCC[C@H](CO)[C@@H]1C	841574765	GLEBQDCFCANZQH-QWHCGFSZSA-N	305.378	1.442	50	20	DDGD	
C[C@H](C(=O)NNC(=O)NCc1ccco1)C(=O)OC(C)(C)C	840288458	JHPCGMAYPXACDJ-SECBINFHSA-N	311.338	1.088	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CSc1ccccc1O)[C@H](C)O	842240150	OGXQUTHPSFQTOC-UWVGGRQHSA-N	312.391	1.039	50	20	DDGD	
Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1cn[nH]c1	920407485	CCHLUDNTYNBHGK-UHFFFAOYSA-N	308.725	1.212	50	20	DDGD	
O=C(NN=Cc1ccccc1OC1CCCC1)C(=O)NC1CC1	920373052	OKOLWCLRERFLHE-UHFFFAOYSA-N	315.373	1.737	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNc1cc(Cl)nc(N)n1	753464945	UTJRAWXJCZEFRK-UHFFFAOYSA-N	315.761	1.135	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2CCc3c[nH]nc3C2)C[C@H]1Br	857397552	KRWLLLFDVJYVFF-RLCGTCKNSA-N	312.211	1.804	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccccc1COc1ccccc1	756155129	ORSNWGBHUHFATK-UHFFFAOYSA-N	315.329	1.411	50	20	DDGD	
CCC[C@H](O)CC(=O)NNC(=O)Cn1ccc2ccccc21	750299983	CWPQUUHAXVXZMI-ZDUSSCGKSA-N	303.362	1.340	50	20	DDGD	
Cc1ccc2c(c1)C(=NNC(=O)OCC(F)(F)F)C(=O)N2	853432440	XIPNYLCQPAOIPB-UHFFFAOYSA-N	301.224	1.940	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccnn1CCc1ccccc1	857707762	ADUJDTVRHSOALC-UHFFFAOYSA-N	301.350	1.090	50	20	DDGD	
CN(C)CC(=O)NNC(=O)[C@H]1CCC[C@H]1Cc1ccccc1	857108469	GLCWTFAJZFCCDR-GJZGRUSLSA-N	303.406	1.354	50	20	DDGD	
CC(C)(C)n1nnc(C=NNC(=O)CCN2CCCCCC2)n1	853277479	QNRMEIQFOIHYLD-UHFFFAOYSA-N	321.429	1.144	50	20	DDGD	
CCOC(=O)[C@H](N)C(=O)NNc1ccccc1C(F)(F)F	852813777	PCQWYCZTTNTJKT-SECBINFHSA-N	305.256	1.039	50	20	DDGD	
O=C(NC[C@@H]1CCCN1CC(F)F)NNc1ncccc1F	858749715	XFTVSFUBNFWDMD-VIFPVBQESA-N	317.315	1.576	50	20	DDGD	
C[C@@H]1CCN(C[C@@H](CBr)C2CC2)[C@@H](C(N)=O)C1	859261447	NWCLWTCIMNTOGH-YUSALJHKSA-N	303.244	1.993	50	20	DDGD	
Cc1cc(C)cc(C=NNC(=O)[C@H](C)CN2CCOCC2)c1	921256609	WFKSVZHTFMVTTN-OAHLLOKOSA-N	303.406	1.722	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2C[C@H](C)Cc3c[nH]nc32)n1	857865436	OXUUELYEQPYJJD-SKDRFNHKSA-N	313.361	1.240	50	20	DDGD	
C[C@@]1(CNC(=O)N2CCC(C(=O)O)CC2)C[C@@H]1Br	857101512	ZKKMHYULZTZSOA-CABZTGNLSA-N	319.199	1.666	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CCSc1ccc(F)cc1)N(C)C	750607637	WQJPVYULSDFCAF-JTQLQIEISA-N	313.398	1.405	50	20	DDGD	
C[C@@]1(CCC(=O)NNc2cnnc3ccccc23)CCC(=O)N1	753433814	LMIPCFHCNFSASS-INIZCTEOSA-N	313.361	1.522	50	20	DDGD	
CC(=O)N[C@@](C)(C(=O)NNC(=O)Cc1ccc(F)cc1)C(C)C	929330474	HBFJNQTXCRZGEF-MRXNPFEDSA-N	323.368	1.066	50	20	DDGD	
Cc1ccc(NCCNC(=O)NNc2cccc(C)n2)nc1	927472664	XPDNXRCSKVEBNU-UHFFFAOYSA-N	300.366	1.832	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c1	858128009	XYDLOQIECBNPDH-DVZHBHJUSA-N	320.389	1.581	50	20	DDGD	
CNC(=S)N(C)NC(=O)/C(C)=C\c1ccc(OC)c(F)c1	854923106	ZSNRBVSMTNISDD-CLFYSBASSA-N	311.382	1.705	50	20	DDGD	
CCc1ncsc1C(=O)NNC(=O)c1cccc(OC)c1O	750537118	CFLPYZSJSRYGTA-UHFFFAOYSA-N	321.358	1.495	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NC[C@@H]1CCCCS1	753255648	NQFMHWGFSVHKGT-LBPRGKRZSA-N	308.407	1.240	50	20	DDGD	
CC[C@H](CC(C)C)C(=O)NN(C)C(=S)NCCCOC	854286570	UGTAGHQROUTTSG-GFCCVEGCSA-N	303.472	1.933	50	20	DDGD	
COc1cccc(NCC(=O)NN=Cc2cn(C)nc2C)c1	755583614	DOBOVMGAOIQFOH-UHFFFAOYSA-N	301.350	1.299	50	20	DDGD	
COCc1cncc(C(=O)NNC(=S)NCC2CCC2)c1	855089090	BQNGHQCCFSBWMQ-UHFFFAOYSA-N	308.407	1.137	50	20	DDGD	
COCc1nc(C)c(C(=O)NNc2ncc(Cl)cn2)s1	857357421	RHEFJCWOQOULNY-UHFFFAOYSA-N	313.770	1.798	50	20	DDGD	
CCCc1noc(CCCC(=O)NNc2ncc(Cl)cn2)n1	857356153	USFLRGGPCCJKSI-UHFFFAOYSA-N	324.772	1.932	50	20	DDGD	
CC(=O)N/C(=C/c1ccccc1)C(=O)NCCCSC#N	854363218	QQLCZWJDSXZMKQ-GXDHUFHOSA-N	303.387	1.884	50	20	DDGD	
O=C(C[C@H]1C(=O)Nc2c(F)cccc21)NNC(=O)C1CCCC1	930133124	DQCHGFMPSUEKBS-LLVKDONJSA-N	319.336	1.589	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1scnc1Br	758442852	RXIWOFOWZGSXEJ-UHFFFAOYSA-N	307.173	1.212	50	20	DDGD	
C[C@H](NNC(=O)CSc1nnc2ccccn12)C(F)(F)F	862316558	QJXINZNHYRQFBK-ZETCQYMHSA-N	319.312	1.393	50	20	DDGD	
CNC(=S)N(C)NC(=O)/C=C/c1ccc(SC)s1	861961456	WJYZHWNEMIHNOS-GQCTYLIASA-N	301.462	1.951	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H](C)OCc2ccncc2)n1	867287740	XGESWPLCTCAYOR-LLVKDONJSA-N	302.334	1.534	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=C2CCN3CCC[C@H]23)C[C@@H](C)O1	765569376	KACVLLNSXSXOBX-TTZDDIAXSA-N	322.453	1.072	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(CC(C)C)c1ccccn1	760261001	UOWQXSRRLFAHGN-ZDUSSCGKSA-N	307.394	2.000	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc(N2C[C@H](C)O[C@H](C)C2)cc1	864491138	RUTQMYOFFQGZFY-BETUJISGSA-N	319.405	1.717	50	20	DDGD	
CCC(=O)Nc1cccc(C(=O)NNc2nccnc2OC)c1	764470519	STSXSQLYFVZWAM-UHFFFAOYSA-N	315.333	1.591	50	20	DDGD	
COc1cccc(OC)c1CC(=O)NN[C@@H](C)C(F)(F)F	862311169	KONSSOGEYVHLIB-QMMMGPOBSA-N	306.284	1.818	50	20	DDGD	
CC(C)[C@H](NC=O)C(=O)NNc1cc(C(F)(F)F)ccn1	861850101	PTSLZFQGUUYKDX-JTQLQIEISA-N	304.272	1.314	50	20	DDGD	
Cc1nn(CCC(=O)NN[C@@H](C)C(F)(F)F)c(C)c1[N+](=O)[O-]	862312185	GRRYEYGBBZYAMR-QMMMGPOBSA-N	323.275	1.370	50	20	DDGD	
C[C@H](Sc1ccc(F)cc1)C(=O)NNC(=O)C(C)(C)O	935564168	WQEDVOKCINNJNY-QMMMGPOBSA-N	300.355	1.225	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@]1(C)CCOc2ccccc21	930716417	CYELMTUHINZBAW-MRXNPFEDSA-N	305.378	1.857	50	20	DDGD	
CC(C)(C)[C@@H](O)C(=O)NNC(=O)Cn1ccc2ccccc21	764998200	SVAMCHRLTAHDJX-AWEZNQCLSA-N	303.362	1.196	50	20	DDGD	
CC(C)c1cc(NC(=O)C(=O)NNC(=O)c2ccccc2)no1	763420200	OGZHEBMIHNICSL-UHFFFAOYSA-N	316.317	1.198	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H]1CCC(=O)[C@@H](C)C1	764201425	RYBWXXOZWOQQOD-QWRGUYRKSA-N	304.346	1.462	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NNc1cnnc2ccccc12	863873193	AJQHOKRLFDEMCJ-VXGBXAGGSA-N	308.345	1.610	50	20	DDGD	
N#CCCCOc1cccc(NCc2cccc(B(O)O)c2)c1	864019638	LDZSINNATBODFW-UHFFFAOYSA-N	310.162	1.661	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H]2CC(=O)NNC(=O)CC(C)C	760270502	OGGUQHYGCLNKMY-NSHDSACASA-N	306.362	1.755	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)Cc2cc(C)[nH]n2)c(OC)c1	767396894	YKWXDXYBACVEJL-UHFFFAOYSA-N	316.361	1.818	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc(Cn2cccn2)o1)C(F)(F)F	862307991	VAVNVYOVMAVQSK-MRVPVSSYSA-N	302.256	1.710	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCCOC[C@@H]1CCOC1	768064027	VWSDIDZWWZNNAI-MNOVXSKESA-N	322.243	1.965	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H]2[C@H](C)O[C@H](C)[C@@H]2C)n1	863896822	IPYDGGDDIWXJNK-OPDFLTKYSA-N	321.425	1.825	50	20	DDGD	
COC(=O)c1coc(S(=O)(=O)NCC(Cl)Cl)c1	867470890	YCLNCVHGDQEXIC-UHFFFAOYSA-N	302.135	1.148	50	20	DDGD	
CN1C[C@H](N(C)S(=O)(=O)CC(C)(C)CCl)CCC1=O	867476937	LLBZKLHMSFIQSC-SNVBAGLBSA-N	310.847	1.134	50	20	DDGD	
CC[C@H](C)C(=O)NN=Cc1c(C)nn(CC(=O)OC(C)C)c1C	768359551	FMETZKPYJRNUIL-NSHDSACASA-N	322.409	1.948	50	20	DDGD	
CC(C)(C)CC(=O)NCC(=O)NNc1nc2ccccc2[nH]1	768514338	FXERJHXVNCENBO-UHFFFAOYSA-N	303.366	1.558	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccncc2C)cc1OC	769725224	BUNCEJYWPIATCQ-UHFFFAOYSA-N	315.329	1.482	50	20	DDGD	
CCC(CC)[C@@H](C(=O)NNc1ccncn1)N1CCOCC1	1117812103	XJVBKXUENTYMKT-AWEZNQCLSA-N	307.398	1.057	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)c1nc2ccccc2s1	874914110	LTULUCISNGUEFL-SECBINFHSA-N	307.375	1.872	50	20	DDGD	
O=C(CCOCC(F)F)NNC(=S)Nc1ccccn1	874955665	CXXQSJOGLZZJRC-UHFFFAOYSA-N	304.322	1.071	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)c1nc2ccccc2s1)C1CC1	874914586	ZRYMVONACMURSI-CQSZACIVSA-N	305.359	1.218	50	20	DDGD	
C[C@H]1CN(C[C@@H](C)C(=O)NN=C2CCCOCC2)C[C@@H](C)O1	770595607	GFVQOAIOBYJBSZ-MCIONIFRSA-N	311.426	1.404	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=Cc1cccc2nccn12	771101197	RBTBOLOPWFUWOR-UHFFFAOYSA-N	318.340	1.675	50	20	DDGD	
CCOCC(=O)NN=C1CCC[C@@H](C(F)(F)C(=O)OCC)C1	772841913	KEPHYDHQANNYBN-SNVBAGLBSA-N	320.336	1.884	50	20	DDGD	
COCCOCC(=O)NN=Cc1occc1Br	872402433	DMZNGSPLSLNSQV-UHFFFAOYSA-N	305.128	1.155	50	20	DDGD	
CCc1ccnc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)c1	772241055	ZVZJPXBITIDDQS-LLVKDONJSA-N	321.377	1.383	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(C(=O)NC(C)C)cc1	878362579	WWMLVCBPNKJHGJ-UHFFFAOYSA-N	308.338	1.560	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(N2CCSCC2)cc1	878790469	MUZZUNXVSYTZSR-UHFFFAOYSA-N	324.406	1.975	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc3cc[nH]c3n2)c(O)c1	779382235	MXGRDQSBGDRGLU-UHFFFAOYSA-N	310.313	1.652	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CCCC(=O)[C@@H]2C)cc(C#N)n1C	885036021	JXKOPEDLWZSIMY-OBTCNRAFSA-N	310.357	1.692	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc2c(c1)NC(=O)CS2	887139447	PRAFVMOSRWEFAG-UHFFFAOYSA-N	317.370	1.295	50	20	DDGD	
C[C@H](C(=O)NNc1ccccn1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	777475293	YRLXDUCJSOZUNW-WOPDTQHZSA-N	316.361	1.088	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccnc(F)c2)c(Cl)n1	1120779266	GJBJNOSGTVHETA-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1c(F)cc(OC)cc1F	1123512316	LFNCICPNJVFVLD-UHFFFAOYSA-N	301.293	1.718	50	20	DDGD	
COc1ccc(NNC(=O)c2ccccc2S(C)(=O)=O)nc1	781530301	PQJVPEGRBRKSRB-UHFFFAOYSA-N	321.358	1.251	50	20	DDGD	
COc1ccsc1C(=O)NNc1ccc(-n2ccnc2)nn1	788174844	LYHOGXVXQNJJLZ-UHFFFAOYSA-N	316.346	1.489	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H]1CCO[C@]2(CCSC2)C1	882002114	YTWGEPVMCFSOGQ-GHMZBOCLSA-N	313.872	1.589	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1cccc(Cl)c1F	784915813	OUKCVYUXMVTKES-UHFFFAOYSA-N	316.720	1.110	50	20	DDGD	
C[C@H]1CN(CCCNS(=O)(=O)CCCCl)C[C@H](C)O1	881774588	XNMAEEXBHXAQHG-RYUDHWBXSA-N	312.863	1.034	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ncc(F)cn2)c(Cl)c1	784957805	URZHBWLQGKJELY-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
CSSCCNc1ccc(C#N)cc1CS(N)(=O)=O	882327179	ZTMFQXRRXYSVCO-UHFFFAOYSA-N	317.461	1.770	50	20	DDGD	
CC(C)(C)[C@@H]1CCN(CC(=O)NNC(=O)c2cccs2)C1	784513698	FFDRHLKCBATZEG-LLVKDONJSA-N	309.435	1.877	50	20	DDGD	
CC(C)(C)Cc1csc(NC(=O)C(=O)NNC(=O)C2CC2)n1	789731620	GRGDHWLUEGLSGX-UHFFFAOYSA-N	324.406	1.228	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CO[C@H](C)C1	784145134	VIPWXXFKPJLGSD-VWYCJHECSA-N	310.325	1.165	50	20	DDGD	
C=C(C)CN1CCC(NC(=O)NNc2ncncc2Cl)CC1	780987958	ULZRNDWBFOEFAU-UHFFFAOYSA-N	324.816	1.797	50	20	DDGD	
CC(=NNC(=O)c1cc(C)[nH]n1)c1ccc(N)c([N+](=O)[O-])c1	799111738	VEUPBJYZWDAXEP-UHFFFAOYSA-N	302.294	1.363	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cn2ccnc2C(C)C)c(O)c1	895791456	AHUNNQPYQWWTIK-UHFFFAOYSA-N	316.361	1.482	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)nc(C)n1	795113472	ONIFZOBPNOTINH-PKKJXTRXSA-N	310.401	1.931	50	20	DDGD	
CNC(=O)[C@]1(C)CCN(C(=O)[C@@H](Br)C(C)(C)C)C1	797774693	QHXKIHSHPAFPBE-NOZJJQNGSA-N	319.243	1.781	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cscc1Br	795588139	QPZYTEFMQPGREF-UHFFFAOYSA-N	318.196	1.865	50	20	DDGD	
CCOc1cc(/C=C(\C#N)S(N)(=O)=O)ccc1OC(F)F	798232415	UJUXECVAVJOUFG-WEVVVXLNSA-N	318.301	1.840	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)c1ccccc1O)c1cccnc1	798105980	KDWMTZANSJAVGV-OAHLLOKOSA-N	313.357	1.988	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2ncc(Cl)n2C)ccn1	799480053	NBPSUYVHEPSONN-UHFFFAOYSA-N	306.757	1.298	50	20	DDGD	
CCOc1ccc(NNC(=O)c2ccc(C(N)=O)nc2)cc1	1326465911	KCLLJKATKUBBRQ-UHFFFAOYSA-N	300.318	1.336	50	20	DDGD	
CCOc1cccc([C@@H](C)NC(=O)NNC(=O)c2cn[nH]c2)c1	1328703597	OWHQHPLTVNKDMP-SNVBAGLBSA-N	317.349	1.514	50	20	DDGD	
CS[C@@H]1CC[C@H](N(C)CC(=O)NNC(=O)c2ccccc2)C1	1320108654	NGOALXVADJTHQR-UONOGXRCSA-N	321.446	1.664	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)n2ccnc2)c2ccccc2n1	1322585784	OJAIMEBXBLRDBW-GFCCVEGCSA-N	323.356	1.762	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(C#N)c(C)n2)nc1	1320252855	WVVGBROLXYHRPC-UHFFFAOYSA-N	311.301	1.200	50	20	DDGD	
CCOc1cc(C)ccc1NC(=O)NNC(=O)C1CCNCC1	1325627094	TYSMHKJYRKSNTI-UHFFFAOYSA-N	320.393	1.546	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)c1cnn2ccncc12	1256345909	CZKGBQODVUWYRY-UHFFFAOYSA-N	311.330	1.491	50	20	DDGD	
CC[C@H](F)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1	1335754716	VDNYPIFKAPNMDR-LBPRGKRZSA-N	315.370	1.319	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)C(=O)OC)c1cc(C)ccc1C	1330579296	OFCWECDHCSNNDT-GFCCVEGCSA-N	307.350	1.258	50	20	DDGD	
C[C@H]1CCc2nc(C=NNC(=O)c3cccnn3)sc2C1	1333197522	CLTJORGJOISURL-VIFPVBQESA-N	301.375	1.822	50	20	DDGD	
CC(=NNC(=O)C[N+](C)(C)C)c1c(Cl)nc2ccccn12	1339652216	MCLCMPDRJKURHZ-UHFFFAOYSA-O	308.793	1.534	50	20	DDGD	
O=C(NC[C@@H]1CCCS(=O)(=O)C1)C1CCC(Cl)CC1	1263825369	VIFTYUQLKSECNG-UNXYVOJBSA-N	307.843	1.725	50	20	DDGD	
NC1CC2(C1)CC(NC(=O)NNc1cc(F)c(F)c(F)c1)C2	1357763097	AZWXIJCTGQTOGM-UHFFFAOYSA-N	314.311	2.000	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2cccc(C(=O)O)c2)n(C)n1	1609718730	IUMUIQVKJMHCEW-UHFFFAOYSA-N	302.334	1.999	50	20	DDGD	
CC(=NNC(=O)c1nnn(C)c1C)c1ccc(C(=O)O)cc1C	1602990769	GQRQDZDIEWKVPG-UHFFFAOYSA-N	315.333	1.284	50	20	DDGD	
CC(=NNC(=O)CC(F)(F)F)c1cccc(-c2nn[nH]n2)c1	1609060757	AKCJYLNRWOHCQU-UHFFFAOYSA-N	312.255	1.659	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1ccc(F)c(C(F)(F)F)c1	1610782841	DZMNTHRJYHYEIS-UHFFFAOYSA-N	307.203	1.562	50	20	DDGD	
C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Cl)C2	1802302487	MKUAFIYFDGBDDG-GFQSEFKGSA-N	314.788	1.963	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(Cl)cc(C(=O)O)c1	1610008254	AZEPMCHNSXGZQR-UHFFFAOYSA-N	314.729	1.736	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@@H]1C(=O)NN=CC1(C)COC1	1549315689	MOJWOMBGDROGPI-RYUDHWBXSA-N	306.366	1.026	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H]2CCCCN2)cc1	1573475049	DTAUUVVCRNCOHN-CQSZACIVSA-N	303.406	1.887	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2C[C@H](N)C2(C)C)c1C	1579768421	WXIPOGRUIJGMLT-AAEUAGOBSA-N	320.462	1.994	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)C[C@H]1CCNC1	1579309808	OMLWODFWGYEKHX-SNVBAGLBSA-N	308.407	1.012	50	20	DDGD	
Cc1cccc(NNC(=O)CNCCNC(=O)OC(C)(C)C)c1	1579772362	XELWENKSRLMVDF-UHFFFAOYSA-N	322.409	1.552	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C[C@@H]1CCNc2ccccc21	1579839415	KQJUFPXYWJPLBX-NSHDSACASA-N	313.361	1.469	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)[C@@H]1NCC[C@H]2CCCC[C@H]21	1580505596	HASZLZQGDQLOSN-IIAWOOMASA-N	307.438	1.882	50	20	DDGD	
N[C@@H]1CC[C@H](CC(=O)NNc2cccc3c2OC(F)(F)O3)C1	1580387565	MYNOIQJEHCETLW-DTWKUNHWSA-N	313.304	1.969	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc(C(=O)O)c(C)c1	1599225309	DUTQJYAEMKVNHP-LCYFTJDESA-N	302.330	1.753	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCC[C@@H](CCC(=O)O)C2)cn1	1594538765	QXOPGJIPBMHDQE-OBTCNRAFSA-N	316.361	1.430	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)c1	1594408520	MRNCOYUFIRARGJ-NEPJUHHUSA-N	320.345	1.022	50	20	DDGD	
C[C@H]1[C@@H](C(=O)O)CCN1S(=O)(=O)c1ccc(CCl)cc1	1594170420	DJAOMUUJCVJMHZ-CABZTGNLSA-N	317.794	1.909	50	20	DDGD	
CO[C@H](C(=O)O)C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	1593911032	GDRFTYZSQQDUDG-VIFPVBQESA-N	317.223	1.120	50	20	DDGD	
CC[C@H](C(=O)O)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	1594756122	XYRRKSZDPSJEMV-LBPRGKRZSA-N	306.362	1.856	50	20	DDGD	
CCN(CCC(=O)O)C(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	1596303412	CLUWGIVPYFBWQS-NTUHNPAUSA-N	314.345	1.435	50	20	DDGD	
O=C(O)CCc1ccc(C=NNC(=O)c2ccc(O)c(O)c2)o1	1776058421	DUSWUXNNETZJMZ-UHFFFAOYSA-N	318.285	1.472	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc(OCC(F)(F)F)nc1	14337535	DBQNKJJQUWHWAT-UHFFFAOYSA-N	319.283	1.830	50	20	DDGD	
CN(CC(=O)NNc1cccc(C#N)c1)C(=O)c1cccs1	152396881	AITZYYVRYWZJMH-UHFFFAOYSA-N	314.370	1.835	50	20	DDGD	
Cc1c(C(=O)NNc2ncccc2[N+](=O)[O-])cnn1CC(C)C	153573790	FQFPKGKUYLYOLP-UHFFFAOYSA-N	318.337	1.908	50	20	DDGD	
O=C(NNc1ccccc1)NC1CCN(C[C@H]2CCOC2)CC1	153584601	DJFJIQPMBUMKLJ-CQSZACIVSA-N	318.421	1.814	50	20	DDGD	
CC1(C)C[C@@H]1C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O	156187104	DLJYVIGHKGBKDM-LLVKDONJSA-N	314.345	1.385	50	20	DDGD	
CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)/C(C#N)=C/OCC)C1	159165569	ZZVXRWYKVZAGJO-OUXOPYRJSA-N	321.421	1.974	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1ccc2c(c1)OCO2	6338771	PJZNZEUHBYBIGZ-UHFFFAOYSA-N	312.325	1.809	50	20	DDGD	
Cc1ccc(O)c(C(=O)NNC(=O)CCc2ccccc2O)c1	106288165	RQDOWVWTUFFRSG-UHFFFAOYSA-N	314.341	1.800	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)Cc2cnn(C)c2)c1	171324022	PVQUYRCTAUJWOO-UHFFFAOYSA-N	317.418	1.597	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)c1cccc(C#N)c1)c1ccccc1	103401858	UIXQVTZOWSPCFU-OAHLLOKOSA-N	309.325	1.707	50	20	DDGD	
Cc1ccc2cc(C(=O)NNC(=O)Cc3cccnc3)[nH]c2c1	103456964	WDPPMOBVWJBZDX-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
CCOC(=O)NNC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1	21772196	VCVIUYLMVABWPL-UHFFFAOYSA-N	321.377	1.491	50	20	DDGD	
CC(=O)N[C@H](C)C(=O)NNC(=O)c1c(Cl)cccc1Cl	170814135	BVZHVBWUKMCEGA-ZCFIWIBFSA-N	318.160	1.279	50	20	DDGD	
Cc1sc(=O)n(CC(=O)NNc2ccccc2[N+](=O)[O-])c1C	55185746	FNULBVXLHZBKII-UHFFFAOYSA-N	322.346	1.578	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCC[C@H](N(C)C)C2)s1	176617676	YCHSOQFVEYJAEP-RYUDHWBXSA-N	324.450	1.873	50	20	DDGD	
O=C(Nc1cccc(C(=O)NNc2cnccn2)c1)NC1CC1	114880216	ICYMCZAAPMOYLS-UHFFFAOYSA-N	312.333	1.517	50	20	DDGD	
CCC(CC)N1C[C@@H](C(=O)NNC(=O)c2ccc(C)o2)CC1=O	176212164	JLAMYVJCWFXZLW-NSHDSACASA-N	321.377	1.386	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CC2(O)CCCC2)c(C)c1	118763258	HAWXWNFZRPITLN-UHFFFAOYSA-N	319.405	1.558	50	20	DDGD	
CN(C)N(C(=O)/C=C/C1CCCCC1)[C@@H]1CCS(=O)(=O)C1	117580902	ZSZIKKQBQKBQLF-MYSGNRETSA-N	314.451	1.615	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNc1cccc([N+](=O)[O-])c1	178862678	GXORFIXKQGZFOM-ZDUSSCGKSA-N	320.349	1.829	50	20	DDGD	
CN(C)[C@H]1CCC[C@@H](NC(=O)NNC(=O)c2ccccc2)C1	176620782	JHBVZGKFYDPGIZ-KGLIPLIRSA-N	304.394	1.503	50	20	DDGD	
O=C(/C=C/c1ccccc1)NNC(=O)Cc1cn2ccccc2n1	173874881	PBCRSMNESXJMFC-MDZDMXLPSA-N	320.352	1.738	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)Nc1ccncc1	60971555	MPYZWYUBQTZDOJ-UHFFFAOYSA-N	300.318	1.703	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CSCC(F)(F)F	123702198	XFHMFXSQYWFFLN-UHFFFAOYSA-N	303.375	1.576	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)[C@@H]1CC12CCOCC2	124496075	OBHXIVLLASLDPA-QMMMGPOBSA-N	316.283	1.755	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=O)COc1cc(C)ccc1C	185006533	ITGGVTCARWUVTM-UHFFFAOYSA-N	302.374	1.879	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)Nc1nc2c(s1)COCC2	185621506	STGMBTFYFQLFIE-UHFFFAOYSA-N	324.406	1.949	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C)o2)c(F)c1	129650223	HMNSRZZWCGGQLG-UHFFFAOYSA-N	319.292	1.435	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc3ccccc3n2)[nH]1	129634246	UZDYVIBHVDLZGT-UHFFFAOYSA-N	305.297	1.509	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCC(=O)Nc1cccnc1	182589313	LEZKAXBVYMLGKH-MDWZMJQESA-N	324.315	1.883	50	20	DDGD	
CCCCNC(=O)NNC(=O)C[C@@H]1C(=O)Nc2ccccc21	126824927	GQFDHTAGRDBXHO-NSHDSACASA-N	304.350	1.243	50	20	DDGD	
Cc1ccc(NNC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1	189477532	HNMMPDPNLLMKIH-UHFFFAOYSA-N	320.374	1.791	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)N[C@H]1CCC[C@@H]1CCO	188532074	PCEKWSYJBMJLAH-CABCVRRESA-N	319.405	1.501	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2cccc(F)n2)cc1	134258467	HQVSRIOAKHYJHI-UHFFFAOYSA-N	318.308	1.761	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)c2cc(C)n[nH]2)c(C)c1	184472824	OJNCUCQZVVBRDC-UHFFFAOYSA-N	317.349	1.892	50	20	DDGD	
CCCCN(CC)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	131898958	SOEGDKIXNIRTOX-UHFFFAOYSA-N	322.365	1.478	50	20	DDGD	
CCN(C)C(=O)[C@@H](C)NC(=O)NNc1c(F)cccc1Cl	188009521	DTFIHZBUIOTJHX-MRVPVSSYSA-N	316.764	1.972	50	20	DDGD	
CCC(CC)n1nccc1C(=O)NNc1nccnc1OC	131963362	QFTNJQGFOJQFRY-UHFFFAOYSA-N	304.354	1.800	50	20	DDGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1ccc[nH]c1=O	85655490	CCINXUOIPIIPKO-UHFFFAOYSA-N	307.313	1.589	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)c2cccnc2)c(F)c1	131322127	XITJKVNJCHCRNC-UHFFFAOYSA-N	302.309	1.362	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNC(=O)c2cnn(C)c2)cc1	135117306	QFHFIUISVQTORC-NSHDSACASA-N	316.361	1.069	50	20	DDGD	
CC[C@H](C)NC(=O)NNC(=O)c1cc(Br)c[nH]1	42844838	JQYHCRWOWQMGHG-LURJTMIESA-N	303.160	1.520	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@H](c2ccco2)N(C)C)n1	43138377	DIMCRULWJMYQHV-GFCCVEGCSA-N	318.381	1.615	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)NCc2ccco2)ccc1C	193922315	NUDISDPRAYGUIP-UHFFFAOYSA-N	315.329	1.935	50	20	DDGD	
O=C(NNC(=O)c1cccc(NC(=O)NC2CC2)c1)NC1CC1	143216837	UVKYMDYHUNKZLE-UHFFFAOYSA-N	317.349	1.077	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1C[C@H]1C1CC1	246371424	AEXCEDSANCCKRV-DLOVCJGASA-N	306.337	1.787	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CCC[C@H](N(C)C)C1	267372807	KGYCIPSTAHYSBM-KGLIPLIRSA-N	318.421	1.812	50	20	DDGD	
CC(=O)Nc1ccc(Cl)c(C(=O)NNC(=O)NC2CC2)c1	269051598	LKSNCCOUJKUNDZ-UHFFFAOYSA-N	310.741	1.405	50	20	DDGD	
CSCCCNC(=O)NNC(=O)COc1cccc(C)c1	265467575	IYYJVMSZZLDPOE-UHFFFAOYSA-N	311.407	1.457	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2CC(=O)N(C)C2)cc1	263802002	LBKVWODLFFFKGO-CZAWJFPGSA-N	313.357	1.339	50	20	DDGD	
CC(C)COC(=O)N1CCC(C(=O)NNc2ncccn2)CC1	263675595	FQYPJDURJUAHNG-UHFFFAOYSA-N	321.381	1.424	50	20	DDGD	
C=C[C@@](C)(CC)C(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C	275947464	FXINHAKNSBNBBV-BMIGLBTASA-N	313.398	1.649	50	20	DDGD	
Cc1nc(C)c(CCC(=O)NNC(=O)OC(C)(C)C)c(O)n1	276892718	NHKKOBQFOWTTHN-UHFFFAOYSA-N	310.354	1.288	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc(-c2cncnc2)cc1F	275049109	ZUXJLTDABDFAAH-UHFFFAOYSA-N	314.320	1.844	50	20	DDGD	
O=C(NC[C@H]1CCSC1)NNc1ccc(-n2cccn2)nn1	279288436	MBVGMQGUNFBXSR-SNVBAGLBSA-N	319.394	1.042	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C(=O)N2CCC[C@@H](C)C2)c1	278303891	CDGBGVLBGSTCNZ-SNVBAGLBSA-N	309.341	1.536	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)CSc1ccccc1O	270743864	YGKSTRJORLDGOD-LLVKDONJSA-N	324.402	1.613	50	20	DDGD	
CSSCCNC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1	376953083	MXLCRSSUJOSBAG-RYUDHWBXSA-N	319.496	1.238	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccccc1SCC(N)=O	273299220	FDKXZGAELSNDKN-VIFPVBQESA-N	324.406	1.463	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H]2C[C@]23CCOC3)c1	375810179	FUKBROHFTUILPW-GUYCJALGSA-N	318.373	1.256	50	20	DDGD	
C=C(CBr)CN1CCC[C@@H]1CN1CCOCC1	373837303	QNRRYICATPRXCF-CYBMUJFWSA-N	303.244	1.734	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H]2OCCc3ccccc32)nn1	370897420	HGQRFJFAQXZXIY-CQSZACIVSA-N	313.361	1.725	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(C)nn1C(CC)CC	281240728	NPIFNMKUKUYJQD-UHFFFAOYSA-N	309.439	1.848	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)COC2CCCC2)cc1	282996040	WYFCAPJNVCYDMH-UHFFFAOYSA-N	319.361	1.040	50	20	DDGD	
COC(=O)N(C)NC(=O)c1c(C)nc(C2CC2)nc1SC	286424907	QQCISCZGSGXALL-UHFFFAOYSA-N	310.379	1.727	50	20	DDGD	
C=CCOc1ccc(/C=C/C(=O)NN(C)CCOC)cc1OC	288355577	GOZHYIBTABTMAZ-VQHVLOKHSA-N	320.389	1.883	50	20	DDGD	
CCCc1nnc(S)n1CC(=O)NNc1cccc(F)n1	286612006	QFSNPQYBQUFBRS-UHFFFAOYSA-N	310.358	1.197	50	20	DDGD	
Cc1ccc2nc(/C=C(\C#N)S(=O)(=O)NC3CC3)cn2c1	284615010	ZFZYVBUOXXBDSO-AWNIVKPZSA-N	302.359	1.589	50	20	DDGD	
O=C(NCCC1(O)CCC1)NNc1ncnc2ccsc12	284964815	PFJYOSIEPMJUFT-UHFFFAOYSA-N	307.379	1.623	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)CN1CCc2ccccc21	299526881	CQUIKBPZGOAHLA-UHFFFAOYSA-N	301.390	1.777	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=O)c1ccccc1F	299583504	CCXSGOKXNMGGPS-GRYCIOLGSA-N	307.369	1.848	50	20	DDGD	
NC(=O)c1cccc(CCNC(=O)NNc2cccc(F)n2)c1	805052427	JPEIKKKOVNOMBT-UHFFFAOYSA-N	317.324	1.188	50	20	DDGD	
CN(C)c1nccc(NNC(=O)Cc2ccc3c[nH]nc3c2)n1	806901932	QGEWQNVTQDHNJM-UHFFFAOYSA-N	311.349	1.105	50	20	DDGD	
O=C(NNc1cccc(F)n1)Nc1ccc(-n2nccn2)cc1	806208093	FKHWEYPXKLGQAG-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)NNC(=O)[C@@H]1CCCCO1	297029859	JUIZOMSDUFASPI-LEWSCRJBSA-N	319.361	1.408	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)C[C@@H]1COc2ccccc2O1	295244549	MCEGYOFGOYDIRA-CYBMUJFWSA-N	318.373	1.944	50	20	DDGD	
CC(C)(C)c1ccc(CC(=O)NNC(=O)[C@@H]2CCCO2)cc1	292078853	FNMJXUAUCNZHDG-AWEZNQCLSA-N	304.390	1.853	50	20	DDGD	
C#CCN(C)CCCNC(=O)NNc1cc(F)c(F)c(F)c1	297634482	YPGUQWYXPURLEC-UHFFFAOYSA-N	314.311	1.685	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H](c2ccccc2)OC1=O)c1ccccc1	809545590	FVBZZQLECJOBEF-HUUCEWRRSA-N	324.336	1.752	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)N[C@H]1CC1(C)C	299054280	JLYQCZMAUCTODQ-ZDUSSCGKSA-N	305.378	1.757	50	20	DDGD	
NC(=O)C[C@@H](NS(=O)(=O)CCCCCl)c1ccccc1	293781720	LVTMZAHLWMJUKX-GFCCVEGCSA-N	318.826	1.542	50	20	DDGD	
Cc1nc(C(C)(C)C)nc(O)c1C(=O)NNC(=O)CC1CC1	294039001	DSONEJMHKORTML-UHFFFAOYSA-N	306.366	1.349	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2[nH]nnc2-c2ccccc2)n1	801623648	SYKZWHHNRSDFGQ-UHFFFAOYSA-N	324.348	1.085	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1nc(Br)sc1C	299144459	YCQMHFCEDAYPRS-UHFFFAOYSA-N	321.200	1.520	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)c1ccc(Cl)cc1O	294982608	YJFQVSCQSSOERA-LLVKDONJSA-N	300.742	1.622	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	803786084	XPLQFECEWBZJLQ-INIZCTEOSA-N	317.345	1.239	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CCC(C)(C)[N+](=O)[O-])c1	294528180	ZEDWWVMOXJVATO-UHFFFAOYSA-N	323.349	1.357	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)C(=O)Nc2ccccn2)CC[C@H]1C(=O)O	814869448	JTWRCGWFWDQGQZ-MWLCHTKSSA-N	318.333	1.013	50	20	DDGD	
Cc1ccc(C)n1-c1nc(CC(=O)NNc2nc[nH]n2)cs1	816633315	WZVWZVKJUIEVBP-UHFFFAOYSA-N	317.378	1.355	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)COc2cccc(C)c2)C1	819806411	OVCYUOIAAJRDKY-UHFFFAOYSA-N	304.346	1.819	50	20	DDGD	
C[C@](C#N)(CC(=O)O)C(=O)NNC(=O)CCCc1ccccc1	819848546	SXYLWZSDKVPYDI-MRXNPFEDSA-N	317.345	1.161	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H](O)c1ccc(Cl)cc1F	813423640	JHNAAFHQKKMNMD-LLVKDONJSA-N	317.748	1.643	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cccc3ncccc23)n1	810360616	VGMCAWWUFZSDJP-UHFFFAOYSA-N	317.308	1.576	50	20	DDGD	
CC(C)(C)n1cnc(C(=O)NNc2ncccc2[N+](=O)[O-])n1	812534833	RYTFADVEQHXWHR-UHFFFAOYSA-N	305.298	1.093	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCS1)c1cc(C(=O)O)ccc1O	819820127	JDTQQDMSNMSKRL-LBPRGKRZSA-N	308.359	1.826	50	20	DDGD	
COc1cnc(C(=O)NNc2ccc(Cl)c(OC)c2)nc1	816524326	AMZGAHKAHWQJMD-UHFFFAOYSA-N	308.725	1.904	50	20	DDGD	
C[C@H]1CCCC[C@@H]1C(=O)NNc1nccc(N2CCOCC2)n1	819905050	WRTVSVMWDSCYGB-STQMWFEESA-N	319.409	1.583	50	20	DDGD	
C[C@H]1C(=NNC(=O)N2CCN(C)CC2)CC[C@H](C(=O)O)C1(C)C	814913337	LRMZCVURLPZSII-NWDGAFQWSA-N	324.425	1.456	50	20	DDGD	
C[C@H]1SCCC1=NNC(=O)c1nn(C)c(=O)c2ccccc12	814739680	ZQRXGXZCHUPXGZ-SECBINFHSA-N	316.386	1.545	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2CCCCCC(=O)C2)n1	813552911	YHDOPOOTFYQSRT-GFCCVEGCSA-N	303.362	1.691	50	20	DDGD	
COCC(=NNC(=O)c1cnccn1)c1ccc(Cl)cc1	814793753	MNMVYWBMIKDHDV-UHFFFAOYSA-N	304.737	1.911	50	20	DDGD	
CCCC(=O)N1CSC[C@H]1C(=O)NNC(=O)CC(C)(C)C	728606796	QAPPUXXLVBKJFZ-JTQLQIEISA-N	315.439	1.272	50	20	DDGD	
O=C(NN=Cc1nccs1)C1CCN(c2ncccn2)CC1	814837302	PLGPCHBVMSLZNA-UHFFFAOYSA-N	316.390	1.300	50	20	DDGD	
CC(C)N1C(=O)C(=NNC(=O)Cc2cccnc2)c2ccccc21	728784311	FYNBJCNYDZSTOS-UHFFFAOYSA-N	322.368	1.900	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)CC2(O)CCC2)c1C	822205211	OTVDDHCXWTWBSB-CYBMUJFWSA-N	320.389	1.523	50	20	DDGD	
CCCNC(=O)OC[C@@H]1CCCCN1C(=O)/C(C#N)=C\OCC	490938078	DTFNVKSQXAVEDZ-FZDNWWAKSA-N	323.393	1.948	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(OC)ccc1OC(F)(F)F	825400289	NRBQRZXAIBMZQV-UHFFFAOYSA-N	307.228	1.168	50	20	DDGD	
C[C@H](CNC(=O)/C(C#N)=C/c1ccc(F)cc1)S(C)(=O)=O	490839091	CCYKNSDKKASUIO-CEXMDJMXSA-N	310.350	1.282	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc3ncccc23)CO1	827611926	HTTIBNHBVAQEQR-WDEREUQCSA-N	314.345	1.356	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NNC(=O)c1cc(C)nc2ccccc12	490873752	FHQHPWZEKVAKJV-BENRWUELSA-N	324.340	1.748	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cccs1	826445848	NJSMBCOOICKJAI-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
C[C@@H](CC(=O)NNc1cccc(-c2nn[nH]n2)c1)c1ccncc1	824385083	LJQOQAFJUSQYPX-NSHDSACASA-N	323.360	1.899	50	20	DDGD	
O=C(Cc1cccnc1)NN=C1CCN(c2ccccn2)CC1	728786612	OYGGLGMISIQUOH-UHFFFAOYSA-N	309.373	1.792	50	20	DDGD	
CCN(C[C@@H](C)OC)C(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	491007389	FYPQDOWEAPFRFG-IWTIEGKHSA-N	314.389	1.996	50	20	DDGD	
Cc1noc2nc(C(C)C)cc(C(=O)NN(C)[C@@H](C)CO)c12	823983610	YBUDKKRLYCTALK-VIFPVBQESA-N	306.366	1.612	50	20	DDGD	
CCOCCCNC(=S)NNC(=O)c1ccc(C)c(O)c1	905536329	HWHPGLDGPUDQHE-UHFFFAOYSA-N	311.407	1.236	50	20	DDGD	
CC(C)[C@H]1CN(C(=O)c2cccc(B(O)O)c2)c2ccccc21	584981036	AHRTWIWDCTWTNI-MRXNPFEDSA-N	309.174	1.766	50	20	DDGD	
C[C@@H](NCc1ccccc1B(O)O)[C@H]1CCCN(C2CCC2)C1	585034588	KEXLBRUJFBTYPO-ZBFHGGJFSA-N	316.254	1.109	50	20	DDGD	
CC(C)C(=O)NNC(=O)CSCCN(C)Cc1ccccc1	829521545	VFHORXRSWGUMAM-UHFFFAOYSA-N	323.462	1.655	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1cc(O)cc(O)c1	494624256	JCOJSIDEBWACGY-UHFFFAOYSA-N	323.349	1.463	50	20	DDGD	
O=C(O)CCCN1CCC(=NNC(=O)CC(F)(F)F)CC1	739672548	QDJUUGFANVPUSM-UHFFFAOYSA-N	309.288	1.372	50	20	DDGD	
O=C(N[C@@H]1CCC[C@@H](C2CC2)C1)c1cc(B(O)O)ccc1F	584952796	WYEJPIIAJADFQD-DGCLKSJQSA-N	305.158	1.204	50	20	DDGD	
C[C@H](NC(=O)OCc1ccccc1)C(=O)NNc1ncccn1	495839989	BBJGURBLQHPNIC-NSHDSACASA-N	315.333	1.235	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN[C@@H]2CCC[C@@H]3C[C@@H]32)c1	830572822	SBWGATFQXZPAEU-VHDGCEQUSA-N	301.390	1.534	50	20	DDGD	
Cc1cc(N(C)C)ccc1CNC(=O)NNC(=O)CC(C)C	734687103	ICPQQEOFDFSJGG-UHFFFAOYSA-N	306.410	1.938	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)CC(=O)OC	905422710	RVZJYYYCPWIGKV-UHFFFAOYSA-N	309.391	1.438	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	831949020	NSWBCTGFTMHFEY-MNOVXSKESA-N	319.317	1.159	50	20	DDGD	
Cc1ccccc1[C@H](NC(=O)c1cccc(B(O)O)c1)C1CC1	584945760	SSLVHTSLUNBLBX-QGZVFWFLSA-N	309.174	1.556	50	20	DDGD	
C=C(CBr)COC(=O)C12CC(C(=O)OC)(C1)C2	830521207	JDZZQVYCRYPENK-UHFFFAOYSA-N	303.152	1.824	50	20	DDGD	
O=C(C#CC1CC1)NNC(=O)Nc1ccc(OC(F)F)cc1	837604705	RKMRRVZBSUPSNJ-UHFFFAOYSA-N	309.272	1.854	50	20	DDGD	
CCOCC(=O)NN=Cc1cc(Cl)c(OC)c(OC)c1	731152778	UWFTYIFFTXOMTL-UHFFFAOYSA-N	300.742	1.844	50	20	DDGD	
Cc1cnn(C)c1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	839462284	LLMASARJMVEPQA-SNVBAGLBSA-N	320.324	1.096	50	20	DDGD	
OB(O)c1ccc(CN[C@H](c2ccccc2)[C@@H]2CCCO2)cc1	585019359	KSKVJTSHMKRAAD-ZWKOTPCHSA-N	311.190	1.376	50	20	DDGD	
CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)c1cc(B(O)O)ccc1F	585002042	KYKHMOXJNIJDFX-TZMCWYRMSA-N	307.174	1.450	50	20	DDGD	
C[C@@H](OC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)NC1CCCC1	837968975	IDUIFXAULWTBLY-NUBYWOLOSA-N	316.361	1.318	50	20	DDGD	
O=S(=O)(CCl)N1CCOC[C@@H]1C[C@@H](O)c1ccccc1	830872478	IVLFNIXFZJAGBF-QWHCGFSZSA-N	319.810	1.337	50	20	DDGD	
C[C@H](NC(=O)c1cc(B(O)O)ccc1F)C1CCCCCC1	584977727	YWACRUFWGIHOJP-NSHDSACASA-N	307.174	1.594	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc2c(c1)nc(O)n2CC	831853563	CVEOTPNOYUHAPM-UHFFFAOYSA-N	305.338	1.068	50	20	DDGD	
CN(C)C(=O)C[C@H](NS(=O)(=O)CCl)c1ccccc1	830181593	QVNVLGIKVGXNTL-NSHDSACASA-N	304.799	1.322	50	20	DDGD	
O=C(C[C@H]1C[C@H]2CC[C@H]1O2)NNC(=O)c1cccc([N+](=O)[O-])c1	836183938	DOOXDSKXHDGLQA-RAIGVLPGSA-N	319.317	1.313	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNc2cc(O)nc3ncccc23)CCN1C	913988272	SHTFKQPAJQEMTM-NXEZZACHSA-N	301.350	1.119	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc(OC)c1C	843644893	GXDMUJQLQVDLCD-CMPLNLGQSA-N	322.361	1.198	50	20	DDGD	
Cn1nc(C2CC2)nc1CC(=O)NNc1cc(Cl)ccn1	843848254	BWCARRLIGOBZRL-UHFFFAOYSA-N	306.757	1.427	50	20	DDGD	
COC/C(C)=C\C(=O)NNC(=O)c1ccc(OC)c(OC)c1	844277805	HRQXNOJQGVDJHO-YFHOEESVSA-N	308.334	1.058	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccc(F)cc1	843646659	JYOYRYTUOYZXQE-GEQRGXFDSA-N	306.337	1.801	50	20	DDGD	
C[C@@]1(C(=O)NNc2ncnc3[nH]cnc23)CCc2ccccc2C1	743470085	NCNAWLQLYGWRNY-QGZVFWFLSA-N	322.372	1.991	50	20	DDGD	
Cn1ncc(C(=O)NC[C@@]2(C)C[C@@H]2Br)c1Cl	857385506	IPFLCZSNZMUMIE-OIBJUYFYSA-N	306.591	1.977	50	20	DDGD	
CC(=O)Nc1c(C)cccc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843971637	DEFIZQCVILEFBD-JQWIXIFHSA-N	319.361	1.139	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)c1ccccn1)c1ccccc1F	743462701	KODJQRAGZAHPMH-ZDUSSCGKSA-N	303.293	1.369	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)c2ccc(CC)cc2)[nH]n1	842520144	CRKFEONUZDDLIS-UHFFFAOYSA-N	314.345	1.913	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C1CCC(=O)Nc2ccccc21	842560398	GKCORNNZORHIMJ-QWRGUYRKSA-N	301.346	1.664	50	20	DDGD	
CN1CCNC[C@H]1C(=O)NN(Cc1ccccc1)c1ccccc1	911926158	RKJFRKFMUFTUHC-SFHVURJKSA-N	324.428	1.628	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(C(=O)OC(C)(C)C)cn1	843882166	KYJTYYLRKMEUHT-UHFFFAOYSA-N	309.366	1.260	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@]1(C(=O)OC(C)(C)C)CC=CCC1	845074707	YJKBAUQVTXEQFU-OAHLLOKOSA-N	312.366	1.832	50	20	DDGD	
CCCc1nc(C)c(NC(=O)NNC(=O)c2ncccn2)s1	841696080	MMAWAKSKXORTQH-UHFFFAOYSA-N	320.378	1.661	50	20	DDGD	
CC[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2)[C@H](CC)CO1	844385003	BQPHGMCXISWDFD-HUUCEWRRSA-N	319.405	1.337	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)CCOc1ccccc1)n1ccnc1	845340916	SERDZFJSJLIWFQ-CYBMUJFWSA-N	316.361	1.451	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H]2CCSc3ccccc32)nc1O	743296157	VVKCCWIUQYFTSH-JTQLQIEISA-N	317.374	1.608	50	20	DDGD	
O=C(NCCOc1cccnc1)NNc1ccc(Cl)nc1	745820105	LEGJWSJRTOSWOC-UHFFFAOYSA-N	307.741	1.835	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccc(C(=O)OC)c1OC	844775596	WXMURHRASGBLKF-UHFFFAOYSA-N	311.294	1.264	50	20	DDGD	
Cc1nnc(NNC(=O)Cc2c[nH]c3c(C)cccc23)nc1O	741282838	AHSHLYRRJHGXGV-UHFFFAOYSA-N	312.333	1.361	50	20	DDGD	
C[C@H](CCc1cccc(F)c1)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843652809	LBJGCCZLCMMQAP-LALPHHSUSA-N	322.380	1.967	50	20	DDGD	
COCCOc1cncc(C(=O)N(C)CC(Cl)Cl)c1	848083221	PJJARJKPEVWHKZ-UHFFFAOYSA-N	307.177	1.983	50	20	DDGD	
C[C@@H]1C[C@@H](CNC(=O)NNC(=O)Cc2ccccc2F)[C@@H](C)O1	840435880	NFZAKEQDXOEOHA-WZRBSPASSA-N	323.368	1.512	50	20	DDGD	
CCN1C(=O)C(=NNC(=O)[C@H]2CCO[C@H]2C)c2cc(C)ccc21	842556252	MFEMPBNMMMFJPF-RYUDHWBXSA-N	315.373	1.607	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCC(C)(C)CC2)c1	744396717	QEGWRQHDDSBRSZ-UHFFFAOYSA-N	303.406	1.878	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H](c2ccccc2)C1)c1ncccn1	841593894	MNBATQIPQXLRIV-ZDUSSCGKSA-N	311.345	1.321	50	20	DDGD	
Cc1c(NNC(=O)[C@H]2CCc3cncn3C2)cccc1[N+](=O)[O-]	844138087	QNAAMTKYRXNOEC-NSHDSACASA-N	315.333	1.805	50	20	DDGD	
CN(C)N(C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)[C@@H]1CCS(=O)(=O)C1	844301413	VDMAEPDMRCSPKD-XJFOESAGSA-N	312.435	1.081	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NC[C@H]1CNCCCO1	842012380	YWBLCUHPBDLGIY-CQSZACIVSA-N	306.410	1.562	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ncccn1	841349843	AEWJKAHZELMFAM-YNEHKIRRSA-N	302.378	1.844	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCCO2)NNc1ncncc1F	843894484	DOOWVBLFTIVUME-UHFFFAOYSA-N	302.309	1.627	50	20	DDGD	
CNC(=O)C[C@H](C)NC(=O)NNc1c(F)cc(F)cc1F	922746026	DVLSNXFWTGLIHW-LURJTMIESA-N	304.272	1.255	50	20	DDGD	
CC(C)CSCCNC(=O)NNC(=O)c1cccc(C#N)c1	756060897	CZCMLOJEIGWRPU-UHFFFAOYSA-N	320.418	1.891	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)c2cc[nH]n2)CCCC1	855356702	WJMJVHKZSNDVOF-UHFFFAOYSA-N	312.373	1.991	50	20	DDGD	
CCC(=O)c1cc(C(=O)NNC(=O)Cc2cc[nH]n2)ccc1F	755278977	GQLHIKUHSUXHBS-UHFFFAOYSA-N	318.308	1.145	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1cccc(F)c1F	756253759	KSGXCFHZJMIMOI-UHFFFAOYSA-N	306.272	1.755	50	20	DDGD	
CNC(=O)NN=Cc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O	920377001	DQPLJWQJEZLQOJ-UHFFFAOYSA-N	322.328	1.224	50	20	DDGD	
CCCOc1ccc(C(=O)NNc2cnnn2C)c(OC)c1	857270620	IZNDYVBLTKIZGO-UHFFFAOYSA-N	305.338	1.369	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1	755960197	GKMSLTAXUQKTSK-CYBMUJFWSA-N	323.349	1.044	50	20	DDGD	
O=C(NCCOCC1CC1)NNc1ccc([N+](=O)[O-])cc1F	853701330	IAMDYOBYSJKETC-UHFFFAOYSA-N	312.301	1.787	50	20	DDGD	
CN1C[C@@H](C(=O)NNc2nc3ccc(Cl)cc3s2)CC1=O	856234166	OMRIEUOQFVDBMD-ZETCQYMHSA-N	324.793	1.871	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)CC[C@@H]2CCOC2)c1	751212754	LBFWAVRFPGPJOY-LLVKDONJSA-N	322.361	1.282	50	20	DDGD	
Nc1ccc(C(=O)NNc2cccnn2)cc1OC(F)(F)F	857486687	PWDYAGQEOCYMTQ-UHFFFAOYSA-N	313.239	1.714	50	20	DDGD	
Cc1cccc(NCCNC(=O)NNC(=O)CC(C)(C)C)n1	927476997	OBEYFRIAUKAPRY-UHFFFAOYSA-N	307.398	1.569	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)Cc2cc[nH]n2)n(C(C)(C)C)n1	756061872	RUVFARMTDDSTLG-UHFFFAOYSA-N	319.369	1.065	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCCc1c(F)cccc1F	854928494	AYPWQQJNAREEII-UHFFFAOYSA-N	301.362	1.755	50	20	DDGD	
O=C(C[C@H]1CCC(=O)N1)NNc1cc(Cl)ccc1[N+](=O)[O-]	854782909	VKTKBLAIJMIUIN-MRVPVSSYSA-N	312.713	1.360	50	20	DDGD	
Cn1ccc2c(NC(=O)NNC(=O)Cc3cccnc3)cccc21	756316051	JYBBYEFUNUWAPD-UHFFFAOYSA-N	323.356	1.969	50	20	DDGD	
CC(C)(C#N)CC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855832389	BRJQNWGUUAYAJF-UHFFFAOYSA-N	310.398	1.016	50	20	DDGD	
CC(=NNC(=O)COc1ccc(Cl)cc1)c1nccn1C	755510174	DIKXMFAKFVJKSJ-UHFFFAOYSA-N	306.753	1.993	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)NCC2CCC2)nn1C(C)C	855092962	VEXZQRGKKPNYNB-UHFFFAOYSA-N	309.439	1.681	50	20	DDGD	
CCOCCC1(C(=O)NNC(=O)c2cccc(F)n2)CCCC1	856423253	PBLNPJARMMLGIK-UHFFFAOYSA-N	323.368	1.969	50	20	DDGD	
COc1ccc(C=NNC(=O)CCCNC(=O)C(C)(C)C)cn1	853408666	YFFWQKMKADSWMQ-UHFFFAOYSA-N	320.393	1.483	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)Nc1cnns1	755364606	SMHORHXFOIXTPM-UHFFFAOYSA-N	316.346	1.415	50	20	DDGD	
CC(=O)NCCCCCC(=O)NC[C@@]1(C)C[C@@H]1Br	857688155	DJKLGBZUPSWVNF-WCQYABFASA-N	319.243	1.973	50	20	DDGD	
COc1cc2ccccc2cc1C(=O)NNC(=O)Cc1cc[nH]n1	755282260	OMDYEEZBCOFBRQ-UHFFFAOYSA-N	324.340	1.575	50	20	DDGD	
CCn1c(NNC(=O)/C=C/SC)nc2ccccc2c1=O	751457974	HBSXMPIAHJFBAT-CMDGGOBGSA-N	304.375	1.736	50	20	DDGD	
CCC(F)(F)C(=O)NNC(=O)COc1cc(C)cc(C)c1	854191199	YJOMSEOYXXELGZ-UHFFFAOYSA-N	300.305	1.875	50	20	DDGD	
Cc1cc(=NNC(=O)C2(C(=O)OC(C)(C)C)CC=CC2)cc[nH]1	862515953	GRCORJVTKYAIJH-UHFFFAOYSA-N	317.389	1.933	50	20	DDGD	
COC(=O)[C@@H](C)CNS(=O)(=O)c1ccc(CCCl)cc1	769906542	RUCHCEIEDDQMJO-JTQLQIEISA-N	319.810	1.555	50	20	DDGD	
CN(NC(=O)CCCc1ccc2c(c1)OCCCO2)C(N)=O	860517119	ZJHFGCRMEUMXRB-UHFFFAOYSA-N	307.350	1.212	50	20	DDGD	
Cc1cccc([C@@H]2C[C@H]2C(=O)NNC(=O)N2CCN(C)CC2)c1	861569945	FKPRDMUVSXXUIK-LSDHHAIUSA-N	316.405	1.087	50	20	DDGD	
C[C@H](CBr)CN1CCCC[C@H]1CS(N)(=O)=O	931229990	GZKPGWPRFLGROO-ZJUUUORDSA-N	313.261	1.160	50	20	DDGD	
Cc1cc(NC(=O)NN(C)C2CC2)ccc1N1CCOCC1=O	933222895	FFBWAYDFOBBTCN-UHFFFAOYSA-N	318.377	1.489	50	20	DDGD	
COCc1nc2cc(NCc3ccc(B(O)O)cc3)ccc2o1	864022300	NNZLWPIDRWJCCT-UHFFFAOYSA-N	312.134	1.266	50	20	DDGD	
CN1C[C@H](C(=O)NNc2nc3ccccc3[nH]c2=S)CC1=O	862291463	JVECZKMDBJFQHO-MRVPVSSYSA-N	317.374	1.214	50	20	DDGD	
CCC[C@@H]1C[C@@H](C(=O)NNC(=O)Cc2cc(C)[nH]n2)CCO1	869015304	PGNVZPZECMHPKJ-WCQYABFASA-N	308.382	1.003	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2cccn2Cc2cccs2)N1	863147893	OLBUAAWOVWKUQR-CYBMUJFWSA-N	316.386	1.327	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C(C)(C)c2cccc(F)c2)n[nH]1	869014252	PZAKTFQLUHLWSH-UHFFFAOYSA-N	318.352	1.525	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)ns1	766351366	NLYUFJATVDEJNX-SECBINFHSA-N	323.349	1.819	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1cccc(Br)c1	863145729	GNMAHXVZPSADAJ-NSHDSACASA-N	324.178	1.568	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C1CCS(=O)CC1	761802248	VMQMDEUWLKTVLH-UHFFFAOYSA-N	309.391	1.122	50	20	DDGD	
Cc1ccc(NCc2cccc(B(O)O)c2)cc1OC(F)F	864023306	SQMMRWTZWGCPHK-UHFFFAOYSA-N	307.105	1.888	50	20	DDGD	
CCOCCCNC(=O)NNc1ccccc1S(C)(=O)=O	765638316	KDFYGOSNZBMEGG-UHFFFAOYSA-N	315.395	1.143	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCCC[C@H]1c1ccccc1	867419792	BAUGLZZZMFTPMA-KRWDZBQOSA-N	309.174	1.734	50	20	DDGD	
CNc1ccc(C(=O)NN[C@@H](C)C(F)(F)F)cc1[N+](=O)[O-]	862304373	NIMIAOMSCKNVNO-LURJTMIESA-N	306.244	1.822	50	20	DDGD	
Cc1nocc1S(=O)(=O)NC[C@@]1(C)C[C@@H]1Br	867549893	UYHKJTBOLCUDGL-DTWKUNHWSA-N	309.185	1.435	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCSC1)c1cccc2ncccc12	762177473	FKWZUQIMPHNJBB-SNVBAGLBSA-N	301.371	1.749	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccccc1SCC#N	768265628	VEXDKRHKXCZSQL-UHFFFAOYSA-N	306.416	1.597	50	20	DDGD	
C[C@@]1(CNC(=O)N2C[C@H]3COC[C@H]3C2)C[C@@H]1Br	873078470	KFGFLUCEXUVVMG-WYFGTUCQSA-N	303.200	1.448	50	20	DDGD	
Cc1ccn2ncc(C(=O)NNC(=O)NC3CCCCC3)c2c1	766837981	TWIWGOQNHTWEGI-UHFFFAOYSA-N	315.377	1.919	50	20	DDGD	
CCCCc1ccc(NC(=O)NNC(=O)COCCOC)cc1	877922418	VFNUKPFRNCFCPV-UHFFFAOYSA-N	323.393	1.845	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C	875587598	OYQZGLQUYHAJDD-OCCSQVGLSA-N	320.393	1.562	50	20	DDGD	
CC(CCOCc1ccccc1)=NNC(=O)[C@@H]1CCC(=O)N1	872392102	GSFPNBJOUOSDCJ-AWEZNQCLSA-N	303.362	1.364	50	20	DDGD	
COC/C(C)=C/C(=O)NNC(=S)Nc1ccc(OC)nc1	874955612	SXCOVRFUABOJRH-RMKNXTFCSA-N	310.379	1.001	50	20	DDGD	
CC[C@@H](C)n1nc(C(=O)NNc2nccc(OC)n2)cc1C	778235592	IQOKJPTZKDRUKW-SECBINFHSA-N	304.354	1.718	50	20	DDGD	
CC(C)N(CCc1ccccc1)CC(=O)NNC(=O)C1CC1	1116324367	IHKZCGPYUFRGAW-UHFFFAOYSA-N	303.406	1.497	50	20	DDGD	
CSSCCNC(=O)CNS(=O)(=O)c1ccccc1	1117641540	AGBIJVBAYSBWLQ-UHFFFAOYSA-N	320.461	1.092	50	20	DDGD	
NC(=O)c1cccc(NC(=O)NNc2cnc3ccccc3n2)n1	775680127	OKWBPPMSCWUFOB-UHFFFAOYSA-N	323.316	1.272	50	20	DDGD	
CCc1noc(C2CCC(=NNC(=O)NCC(=O)OC)CC2)n1	779821414	VEXIDEWHSBHFPE-UHFFFAOYSA-N	323.353	1.118	50	20	DDGD	
CCSc1cccc(NC(=O)C(=O)NNc2ncccn2)c1	773722133	WIDQPFUUAOZTMF-UHFFFAOYSA-N	317.374	1.670	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])c(OC)c1	770567049	DLGYNKRGDUXTBF-YRNVUSSQSA-N	306.274	1.700	50	20	DDGD	
Cc1nc2ccccc2c(=O)n1CC(=O)NNc1ccccn1	777473106	WXENJGPEKLLIJJ-UHFFFAOYSA-N	309.329	1.243	50	20	DDGD	
COC1(CO)CCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)CC1	773945891	RILVVMIWNHILLV-GIDUJCDVSA-N	317.345	1.933	50	20	DDGD	
COc1cccc(C(C)(C)C(=O)NNC(=O)C2CCOCC2)c1	883072821	ZSVRYAFPRMGEJU-UHFFFAOYSA-N	320.389	1.547	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCC(C)(C)C1	772260943	WPCCLKPXNKFWQZ-VXGBXAGGSA-N	312.410	1.938	50	20	DDGD	
O=C(NNC(=O)C(F)(F)c1ccc(F)cc1)C1CCOCC1	883061981	NHYFEOZTEMELRH-UHFFFAOYSA-N	316.279	1.492	50	20	DDGD	
N#Cc1ccc(NNC(=O)N[C@@H]2CCOC3(CCC3)C2)nc1	888598682	FMEILCYGFCQZKE-GFCCVEGCSA-N	301.350	1.681	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1CCN(Cc2ccccc2)C1	887149380	UNCJJLKCLQWSFG-INIZCTEOSA-N	313.401	1.459	50	20	DDGD	
COC(=O)CNC(=O)NN=C1C[C@@H](Oc2ccccc2)C1(C)C	789037558	NYWQOEAIUWPNSS-CYBMUJFWSA-N	319.361	1.692	50	20	DDGD	
Cn1nnc(NC(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)n1	889629436	ZQIUSEUMWLPALX-NYNCVSEMSA-N	300.160	1.102	50	20	DDGD	
CS[C@H](CNC(=O)NNC(=O)c1cccnn1)C(C)(C)C	883564187	KEUVBZBISRLVDI-SNVBAGLBSA-N	311.411	1.198	50	20	DDGD	
CCNC(=O)N(C)NC(=O)N[C@@H](C1CCCC1)C(F)(F)F	785864215	NTNSCQQLIOIRBI-VIFPVBQESA-N	310.320	1.983	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CN(C)CCc1ccccc1	887151966	QGUQGXRTNSBYGG-UHFFFAOYSA-N	301.390	1.112	50	20	DDGD	
COCC1(C(=O)NNc2nnc(-c3ccccn3)s2)CC1	788563572	LOBFZTMPDTWCEB-UHFFFAOYSA-N	305.363	1.470	50	20	DDGD	
CC1(C)OCC(NC(=O)/C(C#N)=C\c2ccc(O)cc2)CO1	787515932	RTQPHIWYMLRRPZ-GHXNOFRVSA-N	302.330	1.567	50	20	DDGD	
Cc1ccc(C(=O)NN=C2CCC[C@@H](S(C)(=O)=O)C2)c(O)c1	788425993	MLBZIHHKZLJLNN-GFCCVEGCSA-N	324.402	1.774	50	20	DDGD	
C[C@H](NC(=O)C1CCCC1)C(=O)NNc1ncncc1Cl	781818696	GNIUDORMYMWGRM-QMMMGPOBSA-N	311.773	1.268	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCCO2)c1nccnc1C	783513338	AYYOTPJZVQTLAX-UHFFFAOYSA-N	312.329	1.710	50	20	DDGD	
CO[C@@]1(C(=O)NNC(=O)COc2cccc(C)c2)CCSC1	895411189	LVOBOCOTSOFKEN-HNNXBMFYSA-N	324.402	1.043	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2ccccc2OC)nc1	782148197	DTEYCFHPFMFTID-UHFFFAOYSA-N	316.317	1.181	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)N[C@H](C)[C@@H]1CN(C)CCO1	799606072	QQTDDTXLHILOQS-HIFRSBDPSA-N	320.437	1.903	50	20	DDGD	
CC(C)Cc1ccccc1C(=O)NNC(=O)Cc1cc[nH]n1	790596225	CKUFURHMOVUVOC-UHFFFAOYSA-N	300.362	1.612	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)CC2(O)CCCC2)c1	791272947	MKOZMIJMTOBRGI-UHFFFAOYSA-N	320.393	1.918	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2cccnc2Cl)n1	794751816	OKRMGFUNKIWZTB-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(C(C)(F)F)cc1	794247100	PTTGLYITTRJNNP-UHFFFAOYSA-N	315.320	1.779	50	20	DDGD	
NC(=O)c1ccccc1CCC(=O)NNc1cc(Cl)ccn1	792304319	YHYAEDHVVHXJIH-UHFFFAOYSA-N	318.764	1.910	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)c1occ2c1CCC2	796884545	BNQJXJLEOPYVGO-UHFFFAOYSA-N	324.340	1.420	50	20	DDGD	
O=C(NN=C1CCC[C@@H]1CCF)c1ccc(-n2cnnn2)cc1	794880309	DCIZXPZMWOQWPR-LLVKDONJSA-N	316.340	1.908	50	20	DDGD	
O=C(CCC(=O)c1ccccn1)NNc1nc2ccccn2n1	791259939	ZVSRVUIWWFKAFF-UHFFFAOYSA-N	310.317	1.231	50	20	DDGD	
O=C(NN=C1CC(=O)N2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1	799463904	LWLCVQJMVKTUPO-CYBMUJFWSA-N	316.317	1.465	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1ccc2[nH]ncc2c1	793078671	HMBGTBHENQVBLY-UHFFFAOYSA-N	310.404	1.629	50	20	DDGD	
C=CCOc1ccccc1C(=O)NNC(=O)NCC(F)(F)F	798316882	XXXAWUJZCITVBH-UHFFFAOYSA-N	317.267	1.758	50	20	DDGD	
COc1c(C(=O)NNC(=O)CC(F)(F)F)cccc1[N+](=O)[O-]	794993543	FXSVCDUBKIJWPC-UHFFFAOYSA-N	321.211	1.317	50	20	DDGD	
N#Cc1cccc(C2(C(=O)NNC(=O)NC3CCCC3)CC2)c1	1319324167	HYZNEBTXEZKTTG-UHFFFAOYSA-N	312.373	1.863	50	20	DDGD	
CCn1cc(C(=O)NNC(=S)NC(C)C)c(C(F)(F)F)n1	1326944442	NSBOZIHIBPZVPD-UHFFFAOYSA-N	323.344	1.439	50	20	DDGD	
O=C(NNc1ncccn1)C(=O)Nc1cccc(C(F)F)c1	1320513171	LUZRTXJOMADVFD-UHFFFAOYSA-N	307.260	1.496	50	20	DDGD	
CN(C)c1ncccc1C=NNC(=O)c1n[nH]c2c1CCCC2	1325248826	BDHFHTATHJGNMR-UHFFFAOYSA-N	312.377	1.513	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H](C)c2ccc(F)cc2F)n[nH]1	1329526685	NYNJYVYHWBJZGL-SECBINFHSA-N	322.315	1.490	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)Nc1nc2ccccc2s1	1329668620	YIRLNRIOAIYKHO-UHFFFAOYSA-N	319.390	1.449	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ncoc1-c1ccc(F)cc1	1324063833	FCMDJEXOWTYUKE-UHFFFAOYSA-N	322.365	1.998	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)COCc2ccncc2)c1	1326823890	RRJLEICVBQJDSF-UHFFFAOYSA-N	317.736	1.662	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H](C(=O)NNc1ccncn1)C2	1328032492	WAUZGKFONSZNGH-NSHDSACASA-N	300.318	1.180	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cncc(OCC(F)F)c1	1322737552	BMIUJAPLEXEMFY-UHFFFAOYSA-N	316.308	1.470	50	20	DDGD	
COC(=O)c1cc(F)cc(C(=O)NNC(=S)NC(C)C)c1	1332593256	MXUYSZLXKZUREG-UHFFFAOYSA-N	313.354	1.130	50	20	DDGD	
CO[C@H](C=NNC(=O)CCN1CCC(C)CC1)[C@@H]1CCOC1	1261373442	FOPRNPSQOBUBKO-HUUCEWRRSA-N	311.426	1.262	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NCC=C(Cl)Cl)n1	1344804868	KSNKCFLVYBBSIW-UHFFFAOYSA-N	320.180	1.149	50	20	DDGD	
CC(C)[C@H](C#N)C=NNC(=O)c1cccc(S(C)(=O)=O)c1	1340950544	IDGDLXFPUAOIRF-GFCCVEGCSA-N	307.375	1.601	50	20	DDGD	
NC(=O)c1c(F)cccc1OS(=O)(=O)CCCCCl	155222549	OZCYFOVRAVENRC-UHFFFAOYSA-N	309.746	1.652	50	20	DDGD	
Br[C@H]1[C@@H]2CN(Cc3ccncc3-c3nn[nH]n3)C[C@H]12	1602672083	BQLWEYULYGZATI-URLYPYJESA-N	321.182	1.087	50	20	DDGD	
CC(=O)C1(C(=O)NNc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1	1609061605	MTFMHUVDHYYXPQ-UHFFFAOYSA-N	320.740	1.332	50	20	DDGD	
O=C(COc1ccccc1F)NN=C1C[C@H]2C[C@@H](C(=O)O)[C@H]1C2	1608352214	QHLRHOBLQDSAGV-GMTAPVOTSA-N	320.320	1.807	50	20	DDGD	
O=C(O)COc1cccc(C(=O)NNc2ncncc2Cl)c1	1602091667	OPBDJCNQESFXAZ-UHFFFAOYSA-N	322.708	1.350	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(C(=O)O)c1)N(C)CC(F)(F)F	1609636012	LIDCSESHZLPJOS-QMMMGPOBSA-N	319.283	1.711	50	20	DDGD	
O=C(CCC1CCCCC1)NNC(=O)c1cc(C(=O)O)no1	1608300573	OIBCWFIIYBKPTC-UHFFFAOYSA-N	309.322	1.494	50	20	DDGD	
C=C(CBr)COC(=O)c1ccc(-c2nn[nH]n2)o1	1602769661	DORXNXVFIPMRAG-UHFFFAOYSA-N	313.111	1.568	50	20	DDGD	
CC(=NNC(=O)CCO)c1cnc2sc(C(=O)O)c(C)c2c1	1602987186	INEINBQLGFPDJS-UHFFFAOYSA-N	321.358	1.526	50	20	DDGD	
O=C(O)C12CC(C(=O)NNc3cccc(C(F)(F)F)n3)(C1)C2	1601728331	BKHBKSXNVRWAGF-UHFFFAOYSA-N	315.251	1.798	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@H](C)c1ncc(C(=O)O)s1	1607890314	DQJVFCXRDLCUQV-MRVPVSSYSA-N	321.362	1.932	50	20	DDGD	
CC(CCCO)=NNC(=O)[C@H]1CCCO[C@@H]1c1ccnn1C	1549318496	ZWRAZSRUFCVXLK-JSGCOSHPSA-N	308.382	1.152	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1cncc(F)c1	1610288626	UNJMDUMZFIPTDJ-UHFFFAOYSA-N	305.265	1.684	50	20	DDGD	
COCC(=NNC(=O)[C@@H]1CCCO[C@@H]1c1nccn1C)C(C)C	1549309444	IMBZMJHWNQCFEV-OCCSQVGLSA-N	322.409	1.662	50	20	DDGD	
CCc1cc(NC(=O)NNc2ccc(C(=O)O)c(F)c2)n(C)n1	1610059303	QKMXCGQSWDVEGC-UHFFFAOYSA-N	321.312	1.968	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@@H]2C(=O)NCC(Cl)Cl)cn1	1552044852	DAZHSTACDXOZAP-ONGXEEELSA-N	306.193	1.808	50	20	DDGD	
NCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](F)Cl)CC1	1826810298	QGQBHMXLPZHOCK-AAEUAGOBSA-N	319.808	1.099	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](F)[C@@H]2CCNC2)c1F	1578877558	BPRJQCFBSJKJAZ-LDYMZIIASA-N	313.304	1.003	50	20	DDGD	
CC[C@@H](NC)C(=O)NNC(=O)c1cc(C)nc2ccccc12	1577172354	VTWPMVJUWAOYDR-CYBMUJFWSA-N	300.362	1.302	50	20	DDGD	
CCN[C@@H](C)C(=O)NNC(=O)c1cc2ccccc2cc1O	1577807532	YFEXMIVELKTVHQ-JTQLQIEISA-N	301.346	1.304	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C=C2CCCC2)o1	1589774576	BXFDCIJVISODPV-UHFFFAOYSA-N	317.353	1.922	50	20	DDGD	
C[C@@H](C(=O)O)C(=O)NNC(=O)c1cc2c(s1)CCCCCC2	1588573310	ATVDEFXNTMCBQY-SECBINFHSA-N	324.402	1.889	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NC[C@H]1C[C@H]1C(=O)O)c1ccccc1	1589574642	BRINWZHJTWWWRU-ZYHUDNBSSA-N	319.361	1.015	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)CCN(C)C)C1	1842822694	HHTPLGNHDWPEHE-LBPRGKRZSA-N	315.845	1.159	50	20	DDGD	
CN1CCC[C@H]1CNC(=O)NNc1ccc(C(=O)O)c(F)c1	1598603003	ZSSFRZAKLFWIBP-JTQLQIEISA-N	310.329	1.244	50	20	DDGD	
CO[C@@H](C(=O)O)C(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	1593905758	RTTOQPNEZKPLSI-WDEREUQCSA-N	317.458	1.709	50	20	DDGD	
CCC/C(C)=C/C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1590543163	GEAJMZXHFRSYJQ-MDZDMXLPSA-N	314.349	1.374	50	20	DDGD	
CCCO[C@H]1CS(=O)(=O)C[C@@H]1I	157995920	ANEPCRUPSSQPJK-BQBZGAKWSA-N	304.149	1.014	50	20	DDGD	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)c1cccc2cccnc12	1594228106	HWYATQMKGDGRPD-ABKXIKBNSA-N	313.313	1.107	50	20	DDGD	
CC[C@@H](C)C(=O)NN=Cc1cn(C2CCOCC2)nc1C(=O)O	1776035723	AWJCUFUBNGGGLC-SNVBAGLBSA-N	322.365	1.429	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C\c1cccc2[nH]nc(C(=O)O)c12	1776118025	PDQPTSFFNPBWHQ-WTKPLQERSA-N	304.269	1.428	50	20	DDGD	
O=C(NN=Cc1cc(C(=O)O)co1)Nc1ccc(C(=O)O)cc1	1776046332	LGRCNSJBZIRTOC-UHFFFAOYSA-N	317.257	1.832	50	20	DDGD	
CC(=NNC(=O)c1ccc(=O)n(C)c1)c1ccc(C(=O)O)cc1	1776103449	JPELAOGVMKNKLK-UHFFFAOYSA-N	313.313	1.238	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl)c1ccno1	1796804509	WIHNMNVBQSTLFI-PKIKSRDPSA-N	315.732	1.461	50	20	DDGD	
CCc1c(C(=O)NNC(=O)OC)nnn1-c1cccc(Cl)c1	158767918	OOSWNKARQXBHOZ-UHFFFAOYSA-N	323.740	1.484	50	20	DDGD	
Cc1cc(C(=O)NNc2ccccc2F)c2c(=O)[nH]n(C)c2n1	152893676	ORQXGPBFJSAQJI-UHFFFAOYSA-N	315.308	1.466	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@@H]2CCN(C3CC3)C2)nc1	157500995	IRKIDYNEZMURLQ-NSHDSACASA-N	305.382	1.201	50	20	DDGD	
CCOCCC1(CNC(=O)NNc2ccc(OC)cn2)CC1	157642677	JCHNGEYMJHKIHP-UHFFFAOYSA-N	308.382	1.923	50	20	DDGD	
Cc1c(C(=O)NNc2ncnc3nc[nH]c23)cccc1[N+](=O)[O-]	156305596	ZUORSIJZQPAYHK-UHFFFAOYSA-N	313.277	1.326	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccc[nH]1	7727317	LOLOPEUZBLWYRS-UHFFFAOYSA-N	317.729	1.431	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)C(=O)NC)c1C	55958057	LEDRTSUFNHHXFL-ZENNRRHLSA-N	316.405	1.673	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2[nH]c1=O)c1ccccc1O	10891884	QBBDVASQMVRTIZ-UHFFFAOYSA-N	323.308	1.309	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)CC[C@@H]1CCCO1	106287382	SOZBHMWDQYLKQZ-ZDUSSCGKSA-N	306.362	1.431	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cccc(F)c2Cl)n1	173075708	ABQVCNPOZTYOTE-UHFFFAOYSA-N	324.743	1.754	50	20	DDGD	
CCOC(=O)CCCNC(=O)NNc1c(F)cccc1F	118569396	XLPKGQFVRPYSBA-UHFFFAOYSA-N	301.293	1.934	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(CC)Cc1c(F)cccc1F	109836087	DBNPMGPIQMXCLW-SNVBAGLBSA-N	313.348	1.733	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)c1ccccc1	25431332	UELVWNMBJHIZIZ-UHFFFAOYSA-N	305.378	1.390	50	20	DDGD	
C=CCNC(=S)NNC(=O)CSc1ccc(C#N)cc1	103216756	FMRZVCVROWQUOZ-UHFFFAOYSA-N	306.416	1.332	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)c1cccc(N(C)C)c1)N(C)C	106900914	SDJILKOHFPFSEC-CQSZACIVSA-N	306.410	1.100	50	20	DDGD	
Cc1nc(C)c(CCNC(=O)NNC(=O)c2ccc[nH]2)s1	108586541	XINUPLWMQQDIDP-UHFFFAOYSA-N	307.379	1.275	50	20	DDGD	
CCOc1ccccc1CCNC(=O)NNC(=O)c1ccc[nH]1	170816007	WZZBPNHKMMYINN-UHFFFAOYSA-N	316.361	1.600	50	20	DDGD	
CCCN(C)c1ccc(C(=O)NNC(=O)c2c[nH]nc2C)cc1	110760303	BGLHBNDSISUEOZ-UHFFFAOYSA-N	315.377	1.639	50	20	DDGD	
O=C(NCc1nccn1C(F)F)NNc1cncc(Cl)n1	170691593	MEVSAMWLEFKERG-UHFFFAOYSA-N	317.687	1.548	50	20	DDGD	
CCc1[nH]c(C(=O)NNc2cnccn2)c(C)c1C(=O)OC	114879954	FOFRKZGIRPSDGI-UHFFFAOYSA-N	303.322	1.219	50	20	DDGD	
C[C@H](C(=O)NNc1ccccc1)N1C(=O)NC2(CCCC2)C1=O	111552418	UFQVLGOBRSAVEG-LLVKDONJSA-N	316.361	1.383	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)c2ccccc2O)n(C)c1	175858093	FNVDQNKHADCCHO-UHFFFAOYSA-N	301.302	1.008	50	20	DDGD	
O=C(CCNC(=O)c1ccco1)NNc1ncccc1Cl	114882881	HRHRKUBYDQXFJO-UHFFFAOYSA-N	308.725	1.591	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)Cc2cccs2)cc1	21786580	NNUKOCBICKKTSG-UHFFFAOYSA-N	315.354	1.389	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cccc2cccnc12	172198376	RYYOJEVTWKBLIB-SNVBAGLBSA-N	307.375	1.590	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(c2cccc(OC)c2)CC1	178947956	NEIWWNSESOITQZ-BUHFOSPRSA-N	315.373	1.788	50	20	DDGD	
Cc1cc(NNC(=O)c2cccc3c2oc(=O)n3C)nc(C)n1	124917005	UZVHBTWIRDKSBO-UHFFFAOYSA-N	313.317	1.295	50	20	DDGD	
CSC[C@H](C)C(=O)NNC(=O)Cn1ccc2ccccc21	66773448	NTPKKBWZQWFWFG-NSHDSACASA-N	305.403	1.788	50	20	DDGD	
CC(=O)CSCC(=O)NNC(=O)c1ccccc1Cl	176769035	RPKJNIVCHFMGDQ-UHFFFAOYSA-N	300.767	1.423	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc2cc(OC)ccc2nc1C	65190425	SVLHRDDTAPXEBA-UHFFFAOYSA-N	302.334	1.516	50	20	DDGD	
CC1(C)NC(=O)N(CCCC(=O)NNc2ccccc2)C1=O	126858903	GTLFBUJKCIKKPQ-UHFFFAOYSA-N	304.350	1.240	50	20	DDGD	
COc1cc(C)c(NC(=O)NNC(=O)c2cnn(C)c2)cc1F	186767759	IBAVQSWNQGXQMG-UHFFFAOYSA-N	321.312	1.343	50	20	DDGD	
COc1cccc(NNC(=O)Nc2ccc([S@@](C)=O)cc2)n1	184042013	ZCQJGZUJHIVNMP-JOCHJYFZSA-N	320.374	1.976	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)CC(=O)NNC(=O)c1cccnc1	124415398	DLPNCUKOVMQHDN-VIFPVBQESA-N	302.334	1.641	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)[C@H]1CCCN(C(=O)C2CC2)C1	182965254	WZVDGKDMLIQZML-NSHDSACASA-N	322.796	1.827	50	20	DDGD	
C#CCOCCC(=O)NNC(=O)c1cc2ccccc2cc1O	129261591	XGJDRSPHZQZDBK-UHFFFAOYSA-N	312.325	1.346	50	20	DDGD	
CC[C@H](C)Oc1cc(C(=O)NNC(=O)c2cccn2C)ccn1	182525139	LPKUVNILEHALSV-NSHDSACASA-N	316.361	1.672	50	20	DDGD	
COCC(=O)NN[C@@H](C(=O)OC)c1ccc(Cl)cc1Cl	126083233	NDODAQJHZLVTCQ-LLVKDONJSA-N	321.160	1.475	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C[C@H]2CCCCO2)cc1	124383257	AYRDANNLRFAABD-CQSZACIVSA-N	305.378	1.514	50	20	DDGD	
CCO[C@@H](C(=O)NNc1nccnc1OC)c1ccccc1	184363625	LDIWXBRULLBGQF-GFCCVEGCSA-N	302.334	1.706	50	20	DDGD	
COc1ccc(NNC(=O)Nc2ccn(CC(F)F)n2)nc1	122148383	ZHNBNDDZCFPVAQ-UHFFFAOYSA-N	312.280	1.700	50	20	DDGD	
COC(C)(C)CNC(=O)NNC(=O)CCCc1ccccc1	75310335	MJGNPWJNAHSLLX-UHFFFAOYSA-N	307.394	1.765	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1nc(CN2CCOCC2)cs1	215240693	KQSWPHXLJDTDSI-FLIBITNWSA-N	322.390	1.358	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1ccc(Cl)nc1	126132618	WULHFOJTRUVSKL-UHFFFAOYSA-N	312.757	1.257	50	20	DDGD	
CC[C@H](C)[C@H](C)C(=O)NNC(=O)Cc1nc2ccccc2n1C	183343056	LPIGDHUUDFXYDA-RYUDHWBXSA-N	316.405	1.945	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)CCOCC2CC2)cc1	130851865	KGNUAXIJCNLNLA-UHFFFAOYSA-N	319.405	1.114	50	20	DDGD	
O=C(CO)NNC(=O)CCCCc1nc2ccccc2s1	182767940	BURHRSRJBLQZHO-UHFFFAOYSA-N	307.375	1.149	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	42901126	SPKNKCODSGOPJR-UHFFFAOYSA-N	307.394	1.965	50	20	DDGD	
C=CCCOCC(=O)NNC(=O)c1cc(-c2ccccc2)on1	138332569	PZCMGPDJRPNAQC-UHFFFAOYSA-N	315.329	1.695	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)c2ccncc2)c1C	193128310	KRSFYHRAVQYWLV-UHFFFAOYSA-N	313.357	1.929	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCN2CCC[C@H](C)C2)o1	84152998	KPAKTIAWDCKODA-NSHDSACASA-N	308.382	1.264	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cc2c(F)cccc2F)cc1	87219933	MVKFGWCATSBDQM-UHFFFAOYSA-N	315.279	1.840	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](C)c2c(C)n[nH]c2C)n1	133065604	BSQQLNIDCMFAER-MRVPVSSYSA-N	304.354	1.380	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNC(=O)Nc1ccccc1C	88252302	RBXKFQBTDIWXAQ-UHFFFAOYSA-N	320.393	1.796	50	20	DDGD	
COc1ccccc1C[C@@H](C)CC(=O)NNC(=O)C(C)(C)O	190075601	VAPUKSIUWRWEIM-LLVKDONJSA-N	308.378	1.182	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc(-c2cccnc2)on1	139314978	UYLAIQJEONXJRX-UHFFFAOYSA-N	301.306	1.091	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)c1ccc[nH]1	192962794	PPUADPYTMCOCPT-NOZJJQNGSA-N	301.302	1.004	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cnn(C(C)C)c2)cc1	131412672	NNXFYBRZILNDOH-UHFFFAOYSA-N	301.350	1.854	50	20	DDGD	
O=C(NNC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1ccncc1	192740217	DRNRPMUJNMQKGR-FUNVUKJBSA-N	301.346	1.238	50	20	DDGD	
CCCCOCC(=O)NNC(=O)NCc1ccc(Cl)cc1	191605144	FTYWDFOSMIERIX-UHFFFAOYSA-N	313.785	1.987	50	20	DDGD	
Cc1ocnc1CNC(=O)NNC(=O)CCCc1ccccc1	92487876	QDABIZXAIHUUNX-UHFFFAOYSA-N	316.361	1.836	50	20	DDGD	
C[C@@H]1CCCN(C(=O)NNC(=O)COCc2ccccc2)C1	91082504	JNUBYXVIIJHBOR-CYBMUJFWSA-N	305.378	1.676	50	20	DDGD	
CCCN1C(=O)C(=NNC(=O)c2ccccn2)c2ccccc21	254740994	AAXFPAKQTDLFFT-UHFFFAOYSA-N	308.341	1.972	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@](C)(O)Cc2ccccc2)n1	266950352	RMCXXFFBSKPTKM-MRXNPFEDSA-N	316.361	1.230	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2ccc(C)s2)n1	266947248	JHGVXZAWZYLOGK-UHFFFAOYSA-N	307.379	1.990	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H](C)NC(=O)C2CCCC2)c1	268337819	ZIAYWDXAZPEHSA-SNVBAGLBSA-N	323.368	1.972	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Cc1ccccc1OC)N(CC)CC	265537010	QWDXBHWEFPNSJN-CQSZACIVSA-N	321.421	1.506	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)C(=O)c1c(C)nn(C)c1C	269577965	HEMZCWBAPYJEFO-UHFFFAOYSA-N	304.325	1.810	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@@]1(O)CCO[C@H]1C	279486860	MYNLYPLAWSEOSH-FZMZJTMJSA-N	315.801	1.008	50	20	DDGD	
O=C(NNc1ccc(F)cc1)c1ccn([C@H]2CCCNC2)n1	275732872	USVQZGAZQYRSKJ-ZDUSSCGKSA-N	303.341	1.704	50	20	DDGD	
COCCOC1CCC(C(=O)NNc2nc(C)cc(C)n2)CC1	279892520	KUMVXHJLTKTHDT-UHFFFAOYSA-N	322.409	1.758	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CCOCC(F)(F)C(F)F)n1	276618228	UUFZJDWZQIPYRO-UHFFFAOYSA-N	324.278	1.844	50	20	DDGD	
CCCOc1cccc(NC(=O)C(=O)NNC(=O)[C@H](C)CC)c1	274080509	QOLIBRONLVBHGV-LLVKDONJSA-N	321.377	1.607	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)C2CCC2)cc1C	272772828	CGRQNHKMFPFFLA-UHFFFAOYSA-N	305.334	1.734	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC(C)C)nc(C(F)(F)F)n1	275317359	OBFPPPDMEOUWFG-UHFFFAOYSA-N	305.260	1.156	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)Nc1cccnc1	272967626	QLOAKNKFZFTIEI-VIFPVBQESA-N	323.353	1.148	50	20	DDGD	
COC(=O)c1[nH]c(C)c(C(=O)NNc2ncccc2C)c1C	276672917	DIIZLGGKNJHDGZ-UHFFFAOYSA-N	302.334	1.878	50	20	DDGD	
CCOc1cccc2[nH]cc(CC(=O)NNC(=O)NC(C)C)c12	275448883	SENLXMLBHMBGMM-UHFFFAOYSA-N	318.377	1.848	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@H]1CCO[C@H](C)C1	271307602	RWWJCAHVIVWQEY-NEPJUHHUSA-N	306.366	1.898	50	20	DDGD	
CC[C@H]1C[C@H](C(=O)NNC(=O)c2cccc(OC)c2O)CCO1	272449848	JQDYEVHIROQSMZ-MNOVXSKESA-N	322.361	1.367	50	20	DDGD	
CCc1nc([C@@H](C)NC(=O)/C(C#N)=C\c2ccc(O)cc2)n[nH]1	279887337	OBAPHUZVMCFCIJ-BKLZJWBFSA-N	311.345	1.857	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2C)c1	275377339	YIDOMRFSZWSBFV-WFASDCNBSA-N	315.377	1.653	50	20	DDGD	
CN(C)C(=O)CNC(=O)NNc1cc(Cl)cc(Cl)c1	276718176	SAVJSFVLOBYVRP-UHFFFAOYSA-N	305.165	1.708	50	20	DDGD	
CN1Cc2ccccc2[C@H](NC(=O)NNC(=O)OC(C)(C)C)C1	374361915	RDPSAWFVQADRRH-CYBMUJFWSA-N	320.393	1.912	50	20	DDGD	
CC(C)Cc1cccc([C@H](C)C(=O)NNC(=O)C(C)(C)O)c1	286756940	KIQNGMHCOJUHEY-LBPRGKRZSA-N	306.406	1.907	50	20	DDGD	
COC(=O)NNC(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O	370385299	CEHXZPBTMYLLGJ-JTQLQIEISA-N	311.725	1.080	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc3c(c2)N(C)CCO3)nc1	377325219	SWUJRYZMUPQAQJ-UHFFFAOYSA-N	314.345	1.676	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1	288387931	FHDVZKXKMFTHJS-HNNXBMFYSA-N	308.378	1.467	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNC(=O)CSc1ccccc1O	285870118	RNGRJRFXQZWESZ-CQSZACIVSA-N	307.375	1.572	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CCc2ncc[nH]2)n1	288232261	DIQMBUFWOADKTK-UHFFFAOYSA-N	303.370	1.122	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)cc1	282100811	HMQWNYHMLGECOP-YWPYICTPSA-N	305.378	1.368	50	20	DDGD	
CCOC(=O)CC(C)(C)CC(=O)NNC(=O)c1cccnc1	287199288	QMEUDJVDWXJWBH-UHFFFAOYSA-N	307.350	1.212	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H](F)C(F)(F)F)c(C)c1	289469725	WWBVSAMSDKZHTF-LLVKDONJSA-N	321.274	1.763	50	20	DDGD	
CN(C)[C@@]1(CNC(=O)NNc2cccc(F)n2)CCSC1	286703189	NXTMFMVWAONEPG-CYBMUJFWSA-N	313.402	1.284	50	20	DDGD	
CC1CCC(OCC(=O)NNC(=O)Cc2cccnc2)CC1	280588153	SRNVWZYPFZMLLV-UHFFFAOYSA-N	305.378	1.367	50	20	DDGD	
CCS(=O)(=O)c1ccc(C(=O)NNC(=O)CC(C)C)cc1	299447377	ROLWCKAORBPAAW-UHFFFAOYSA-N	312.391	1.287	50	20	DDGD	
C[C@H](Cc1ccc(Br)cc1)C(=O)NNc1nnc[nH]1	293514029	AJVOFNDGCKYNQH-MRVPVSSYSA-N	324.182	1.889	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1occ2c1CCOC2	803032737	WKAPFGIMYBJQCD-UHFFFAOYSA-N	316.313	1.896	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2cnc[nH]2)cc1	299686810	XKNWLGKXMGYIMZ-SNVBAGLBSA-N	318.333	1.037	50	20	DDGD	
CCC1(CC)[C@@H](NC(=O)NNc2ncncc2F)C[C@@H]1OC	292999672	KYJNRUUSBMMPJN-QWRGUYRKSA-N	311.361	1.836	50	20	DDGD	
C[C@]1(CCC(=O)NNc2nccnc2C2CCC2)CCC(=O)N1	805473816	PPMQHKGILMAMJG-MRXNPFEDSA-N	317.393	1.636	50	20	DDGD	
CNc1ccc(C(=O)NNc2cccc(S(C)(=O)=O)c2)cn1	803037643	HBTLLWUDYWTIRA-UHFFFAOYSA-N	320.374	1.284	50	20	DDGD	
N[C@@H]1CCC[C@H]1CC(=O)NNc1nc(-c2ccncc2)no1	294033347	HVIZEVFWKDCXMM-WDEREUQCSA-N	302.338	1.092	50	20	DDGD	
COCCCn1nccc1C=NNC(=O)c1ccc(C#N)cc1	802709522	DZSQQAVAIDIKSF-UHFFFAOYSA-N	311.345	1.555	50	20	DDGD	
O=C(NNC(=O)c1ccccc1-n1cnnn1)Nc1ccccc1	801990927	DNDLCDDEUXGZKC-UHFFFAOYSA-N	323.316	1.129	50	20	DDGD	
COc1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2C)nn1C	805383853	RKUZHVPOHMNBMU-UHFFFAOYSA-N	305.294	1.402	50	20	DDGD	
O=C(NCC(Cl)Cl)[C@@H]1CCCN(C(=O)N2CCCC2)C1	808129838	XUAVJOAGVMQEAC-SNVBAGLBSA-N	322.236	1.834	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2cccc3c2CCCC3)CC1	295549897	WYQCCQRRBJMWJE-UHFFFAOYSA-N	316.405	1.167	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2cncn2C)cc1	809553722	DIJDUMLJBYOTOK-UHFFFAOYSA-N	304.375	1.282	50	20	DDGD	
CCc1c(C(=O)NNC(=S)NCCSC)ccn1C	291623270	HCMPXVWODGDXKK-UHFFFAOYSA-N	300.453	1.059	50	20	DDGD	
Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NNC(=O)C(C)C	800831589	WQSHZHUTPGURBN-UHFFFAOYSA-N	324.324	1.979	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CCC[C@H](CO)C2)cc(C#N)n1C	298345085	QDXZRABMEATGRJ-CODCLWSRSA-N	312.373	1.343	50	20	DDGD	
CCC/C(C)=C\C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	801111432	OARKLNUWAJOUDI-BENRWUELSA-N	303.362	1.827	50	20	DDGD	
CO[C@@H](Cc1ccccc1)C(=O)NNC(=O)NC1CCCC1	294792542	SUTBVDAXCHFPNM-AWEZNQCLSA-N	305.378	1.517	50	20	DDGD	
Cn1cnc(C(=O)NNc2ccc(F)cc2Br)n1	810681482	JJWUNGHHFWOEEA-UHFFFAOYSA-N	314.118	1.474	50	20	DDGD	
CCNC(=O)NCCNC(=O)[C@@H](Br)C(C)(C)C	817246088	HHSLSRSJRCVUQQ-MRVPVSSYSA-N	308.220	1.231	50	20	DDGD	
Cc1cc(CC(=O)NN=C2CCO[C@H](C(F)(F)F)C2)n[nH]1	814788535	ZFJKBCZVUBDIAV-JTQLQIEISA-N	304.272	1.474	50	20	DDGD	
CO[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2cccc(C#N)c2)C1	814407977	BKHHKQWOLWUYJC-ZIAGYGMSSA-N	301.346	1.524	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H](CC(F)(F)F)C1	817282284	YGHFPHHZEPLHSL-VHSXEESVSA-N	309.332	1.597	50	20	DDGD	
CC1(C)CN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1	817279478	PARYPXKZJGDHSP-UUINEXAVSA-N	317.345	1.931	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccccc2-n2cncn2)n1	814752839	GNHRFJRUEYOORH-UHFFFAOYSA-N	323.360	1.231	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)Nc1ccc(OC)cc1	813576760	ZXGHVXHMDAXHIB-MNOVXSKESA-N	309.366	1.767	50	20	DDGD	
N#Cc1cccc(NNC(=O)NC[C@H]2CC[C@H](C(N)=O)CC2)c1	817787164	JSOZKAOYHIXJTK-AULYBMBSSA-N	315.377	1.476	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)[C@H]1CCCSC1	810594809	QRSJRZZDBMTYCC-LBPRGKRZSA-N	308.403	1.746	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)N=c2cc[nH]cc2)C[C@@H]1C	814999985	CWLJDRYUQWHQQG-SMDDNHRTSA-N	318.377	1.980	50	20	DDGD	
COc1cc(OC)c(C=NNC(=O)Cc2cc[nH]n2)c(OC)c1	814956033	HYAZQMKHWYMXJS-UHFFFAOYSA-N	318.333	1.128	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NN=Cc1cccc(C(=O)O)c1	814729275	JLPXVVQSHHXYIR-UHFFFAOYSA-N	322.324	1.885	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1scnc1Br	819126508	OXKQRBFYBKDNHE-UHFFFAOYSA-N	304.169	1.467	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ncoc2C)c(OC)c1	729949497	SKAKKRGSOSQKQF-UHFFFAOYSA-N	305.290	1.075	50	20	DDGD	
CCOC(=O)[C@@H](CC(=O)NNc1ccccc1[N+](=O)[O-])C(C)=O	816918161	QPZCMUVGGLNVAC-JTQLQIEISA-N	323.305	1.196	50	20	DDGD	
Cc1noc([C@H](C)NC(=O)NNC(=O)Nc2ccccc2C)n1	726277445	BOSMFTNPEZIMQO-VIFPVBQESA-N	318.337	1.783	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCO[C@H](C(F)(F)F)C2)cn1	826137186	NYRZYUFGEZMRNH-FGUAACIASA-N	314.267	1.117	50	20	DDGD	
CCn1nccc1CNC(=O)NNc1cccc([N+](=O)[O-])c1C	824349265	LBOGKNPVTVESSR-UHFFFAOYSA-N	318.337	1.946	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@]2(C)[C@H](C1)C2(Cl)Cl	829531609	PHFZXVJZDAAZKY-JOYOIKCWSA-N	322.236	1.306	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)OCCCF	495943330	RJEXXKGPHCKTKP-UHFFFAOYSA-N	302.327	1.601	50	20	DDGD	
O=C(/C=C\c1ccc(O)cc1)NNC(=O)c1ccc(Cl)nc1	492615457	SJFSGPFHXHGXTE-BAQGIRSFSA-N	317.732	1.915	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(S(N)(=O)=O)c(C)c1	728186437	QFZGLIBQOXQQAR-CSKARUKUSA-N	309.347	1.025	50	20	DDGD	
COc1ccnc(NNC(=O)c2cn(-c3ccccc3)nc2C)n1	726525788	HJCWVPQSNVPEAY-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cnc2n1CCC2)c1ccccc1	827184483	BGZJRZDJBNWVJG-ZDUSSCGKSA-N	312.373	1.784	50	20	DDGD	
CCN(CCO)NC(=O)[C@H](C)c1ccc(Br)s1	823864744	BZUIQEDBXZCHBL-MRVPVSSYSA-N	321.240	1.960	50	20	DDGD	
CO[C@H](C)CCNC(=O)NNC(=O)Cn1ccc2ccccc21	729503484	UKMHFRUHGCMBRM-GFCCVEGCSA-N	318.377	1.397	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cccc(N2CCOC2=O)c1	494658152	FJMYAGVGNBOQKI-UHFFFAOYSA-N	306.322	1.452	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cnn(CC(C)C)c1C(F)F	495824706	XYFOCEZAQNNWIW-UHFFFAOYSA-N	304.297	1.820	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1	495443259	QGNBLFROTRUFGG-UHFFFAOYSA-N	320.132	1.709	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N(C)CCOc1ccccc1	827314876	KFZMYSBTTOFZND-TZMCWYRMSA-N	321.377	1.163	50	20	DDGD	
CCn1ccc(NC(=O)NNC(=O)CCOc2ccccc2)n1	824943854	UPAGEEXKFIJUFT-UHFFFAOYSA-N	317.349	1.525	50	20	DDGD	
CCN([C@@H]1CCN(c2ccccc2)C1=O)S(=O)(=O)CCl	820791328	PAAZBCUMIRYKII-GFCCVEGCSA-N	316.810	1.640	50	20	DDGD	
CC[C@H](c1ccncc1)N(C)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	827298396	IJOBIVCUOJKMBX-MRVWCRGKSA-N	320.393	1.630	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)c1	822223185	KDWQMOBVZAJBQI-XUJVJEKNSA-N	301.390	1.950	50	20	DDGD	
Cc1ccc(CCC(=O)NNc2cccc(-c3nn[nH]n3)c2)o1	826287609	VWEPHUFNOBRMLJ-UHFFFAOYSA-N	312.333	1.844	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(OCc2ccccc2)nc1	823965991	XGXCCKIPQJHYBT-ZDUSSCGKSA-N	315.373	1.618	50	20	DDGD	
COC(=O)N(C)NC(=O)c1c(F)cccc1Br	495693285	NFQBPMSQQFRUPO-UHFFFAOYSA-N	305.103	1.931	50	20	DDGD	
O=C(CN1CC[C@H](c2cccnc2)C1)NNC(=O)c1ccccc1	829505636	OTQXBHIOYMAJMO-INIZCTEOSA-N	324.384	1.332	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](C)c2nc(C)cs2)n1	829487854	LCOWMDPEDYWPHQ-VIFPVBQESA-N	307.379	1.805	50	20	DDGD	
C[C@H]1COCCC1=NNC(=O)CCCNC(=O)OC(C)(C)C	492460877	YWACKFJOHONSDK-NSHDSACASA-N	313.398	1.820	50	20	DDGD	
C[C@@](O)(CNCc1ccc(B(O)O)cc1)c1ccccc1Cl	585036912	SIEQHWUHBXUWQX-MRXNPFEDSA-N	319.597	1.017	50	20	DDGD	
Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cccc(B(O)O)c3)C2)cc1	584982734	JYBPRKVUFIBVBT-WMLDXEAASA-N	323.201	1.693	50	20	DDGD	
CN1CC[C@H](N(C)C(=O)NC[C@]2(C)C[C@@H]2Br)C1=O	856956734	UGCVATJYHLYJMJ-AUTRQRHGSA-N	318.215	1.032	50	20	DDGD	
Cn1cc(CCCNC(=O)[C@]2(C)C[C@@H]2Br)cn1	906516512	KJXZRBRYUWGERW-CMPLNLGQSA-N	300.200	1.642	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@H]2CC[C@H](O)CC2)cc(C#N)n1C	490783464	QLKNCJPWCCDXQF-JVVVFIMSSA-N	312.373	1.532	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNc1ccc(F)c(C(=O)OC)c1	838675387	JAAHYUAZWXGZHE-OLZOCXBDSA-N	323.324	1.582	50	20	DDGD	
CC(C)n1ncc2c1[C@H](NCc1cccc(B(O)O)c1)CCC2	585036702	OWALQMZQVCSHDR-MRXNPFEDSA-N	313.210	1.311	50	20	DDGD	
O=C(c1csc(-c2ccccc2F)n1)N1CC[C@H](B(O)O)C1	585068661	DBBKLVARGXGYSN-VIFPVBQESA-N	320.154	1.638	50	20	DDGD	
COCC(COC)NC(=O)NNc1cc(F)c(F)c(F)c1	838677786	PRMTUBQBTIUWAG-UHFFFAOYSA-N	307.272	1.391	50	20	DDGD	
CC[C@H](C)[C@H](CNC(=O)NNc1ncncc1Cl)OC	836547418	PBORXHSBVJYASZ-WPRPVWTQSA-N	301.778	1.817	50	20	DDGD	
COC(C)(C)C[C@H](C)NC(=O)NNC(=O)[C@@H]1CCCCO1	836324373	MGDZVWGFBCWECV-QWRGUYRKSA-N	301.387	1.090	50	20	DDGD	
CCc1ccc(C(C)=NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1	730575434	DBIOIPSZYUSBQA-AWEZNQCLSA-N	308.403	1.524	50	20	DDGD	
CC(C)(CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1)C1CCC1	838668625	OLCHCDNLIGVWPK-CQSZACIVSA-N	317.455	1.194	50	20	DDGD	
CC(C)(CN)C1CCN(S(=O)(=O)CBr)CC1	903522731	MJCFHEKTYXRUGK-UHFFFAOYSA-N	313.261	1.366	50	20	DDGD	
COc1cc(/C=C(/C#N)S(=O)(=O)N(C)C)cc(Cl)c1O	588616199	WXJGHBSNXSYXDX-WTKPLQERSA-N	316.766	1.810	50	20	DDGD	
COCCN(C)NC(=O)Cc1ccccc1O[C@H]1CCOC1	837627294	VIKDOPJLOHYZST-AWEZNQCLSA-N	308.378	1.006	50	20	DDGD	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCB(O)O	585059599	UDACKOGSZJKPCN-UHFFFAOYSA-N	303.045	1.012	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1cc2c(nc1O)CCCC2	831433526	YNYIYMYKFMNYBP-RAXLEYEMSA-N	301.346	1.726	50	20	DDGD	
CCOC(=O)[C@@H]1CCCN(CC(=O)NNc2ccccc2F)C1	901163915	YDONQWUTXRZURK-GFCCVEGCSA-N	323.368	1.544	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)C[C@H]2CCOC2)c1C	739679732	AAJATFWRGMDZAQ-ZIAGYGMSSA-N	320.389	1.645	50	20	DDGD	
COC(=O)[C@H](C)Oc1ccccc1C=NNC(=O)NC(C)C	901177069	OKUUHBPMDDVANU-NSHDSACASA-N	307.350	1.668	50	20	DDGD	
C[C@@H]1CC[C@@H](CNC(=O)NNC(=O)C(C)(C)c2ccccc2)O1	838740476	AGEPPXISGJRCMF-OCCSQVGLSA-N	319.405	1.862	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@H]2CCCCN2C)cc1	732259422	RFNDXOUBQKMPNF-CQSZACIVSA-N	321.446	1.719	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@@H]2CCCC(=O)N2)cc1F	837054073	TWYUATRFLGZGEQ-VIFPVBQESA-N	323.324	1.114	50	20	DDGD	
Cc1ccc([C@H](C)NCc2ccc(B(O)O)cc2F)cc1C	585019786	RSJZYMFBJNYLRK-ZDUSSCGKSA-N	301.170	1.973	50	20	DDGD	
CC(F)(F)CNC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836479909	SAMMVLUQQVVFQQ-UHFFFAOYSA-N	316.264	1.406	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1ccc(C(=O)OC)cc1F	837208863	BXMFJTKIKROJDM-AWEZNQCLSA-N	319.336	1.153	50	20	DDGD	
CC[C@H](NC(=O)NNc1ccc(-n2ccnc2)nn1)C(F)F	836510172	BZXLWYDCQVJDQM-QMMMGPOBSA-N	311.296	1.332	50	20	DDGD	
CO[C@@H]1CC(=NNC(=O)c2cc([N+](=O)[O-])ccc2O)C12CCC2	834961845	KMZIVIKVXLAKGI-CYBMUJFWSA-N	319.317	1.975	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCOCC(F)F)c(F)c1	837207393	VKINTRHVNWMILK-UHFFFAOYSA-N	320.267	1.727	50	20	DDGD	
C[C@H]1CCCC[C@H]1OCC(=O)NNc1ccc(C(=O)O)cn1	833611104	HVBDIIAVTFNGDM-CMPLNLGQSA-N	307.350	1.818	50	20	DDGD	
CCOC(=O)[C@H](CC(C)C)OC(=O)/C(C#N)=C/c1cnn(C)c1	837970645	FNMVSMKZQKNFTI-GUNGLEHYSA-N	319.361	1.848	50	20	DDGD	
CC(C)Oc1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)ccn1	831700274	BVVCMOPEENIBNI-ZYHUDNBSSA-N	322.365	1.447	50	20	DDGD	
Cc1ccc(C2=NO[C@@H](CNS(=O)(=O)CCl)C2)cc1	831398468	QCZRDAWACRPEBO-LLVKDONJSA-N	302.783	1.604	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)[C@H]1CCC(=O)N1	748731887	PMRIOTMKZOLZBX-SNVBAGLBSA-N	312.167	1.479	50	20	DDGD	
CCc1ncncc1C(=O)NNC(=O)c1cccc(Cl)c1	916034278	ZRKLQDIONGJIQA-UHFFFAOYSA-N	304.737	1.767	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc2ncccc2c1	748252857	IRPHYVOTUGXWAR-GFCCVEGCSA-N	301.346	1.736	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNc2cc(O)nc3ncccc23)O1	913992149	QDLKKHVBYGENDA-BXKDBHETSA-N	302.334	1.736	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccc(O)c([N+](=O)[O-])c2)n1	916343462	ZQHBPVMQSSWBCA-UHFFFAOYSA-N	317.305	1.264	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C[C@H](C)N1CCc2ccccc21	847686716	IDOMTXZMQFJQRH-LBPRGKRZSA-N	304.394	1.520	50	20	DDGD	
CC1(C)COc2ccc(C(=O)NNC(=O)c3ncccn3)cc21	841352947	PFZOQDWAJDWCMC-UHFFFAOYSA-N	312.329	1.221	50	20	DDGD	
CN(C)C(=O)NN=Cc1c(Cl)cccc1N1CCOCC1	745602488	RQAMUIRIPMWQEC-UHFFFAOYSA-N	310.785	1.782	50	20	DDGD	
Cc1nccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)n1	917393207	BIWYMHBNBKRUMW-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(C)c1	843648301	PYRBNJJLGIDMLJ-STQMWFEESA-N	306.362	1.255	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)oc2c1C(=O)CCC2	843646802	RFPCWXCTUAQESV-VHSXEESVSA-N	320.345	1.293	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)CNc1ccc(C)cc1	846628592	SRAPMPUZFLJMAW-UHFFFAOYSA-N	300.362	1.759	50	20	DDGD	
N#Cc1cccc(OCC(=O)NNC(=O)NC2CCCCC2)c1	916107083	ZYUPWLZVXAAIFD-UHFFFAOYSA-N	316.361	1.600	50	20	DDGD	
COc1cc(C(=O)NN=Cc2cscn2)cc(OC)c1OC	918707392	BUULJPSWLAMXJH-UHFFFAOYSA-N	321.358	1.933	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1sc(N2CCCC2)nc1Cl	910167561	HYLWKDITJZHKBY-MRVPVSSYSA-N	318.830	1.354	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NCCCC1CCCC1	748613677	HJVOAJPOKOYAST-GFCCVEGCSA-N	315.414	1.339	50	20	DDGD	
Cc1cc(C=NNC(=O)Cn2c(C)nc3ccccc32)nn1C	841608993	LMOYFDTYIWKXNL-UHFFFAOYSA-N	310.361	1.537	50	20	DDGD	
CCN1CCC(=NNC(=O)CNc2cccc(OC)c2)[C@@H](C)C1	741456898	SYSMYFQQMRDZCQ-ZDUSSCGKSA-N	318.421	1.941	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2cccc(Cl)c2)cnn1C	915615841	AUWBKTDMKOPNTH-UHFFFAOYSA-N	306.753	1.711	50	20	DDGD	
COc1cccc(NNC(=O)[C@H]2CCc3cnc(C)n3C2)n1	845927647	GGPCTZRRXDEWPE-NSHDSACASA-N	301.350	1.301	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1ccccc1S(C)(=O)=O	840726746	ASVFEKLMMWPVQW-ZRDIBKRKSA-N	308.359	1.150	50	20	DDGD	
NC[C@@H](NC(=O)NNc1cccc([N+](=O)[O-])c1)C1CCCC1	841985610	KEOVMSJXDCZLKG-CYBMUJFWSA-N	307.354	1.738	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1c(C(F)(F)F)n[nH]c1C	746590950	CBVMCNHSEWOPTL-UHFFFAOYSA-N	307.276	1.481	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)c2cc3n(n2)CCC3)cc1	846375552	FKILAEIKWFLUCT-UHFFFAOYSA-N	314.345	1.302	50	20	DDGD	
CCc1ncc(C=NNC(=O)CNc2ccc(OC)cc2)cn1	841602558	GSLOUWWNKMYWAN-UHFFFAOYSA-N	313.361	1.610	50	20	DDGD	
CCO[C@H](C)c1ncc(C(=O)NNC(=O)c2cnn(C)c2)s1	742687528	LQERKRLZAHAANA-MRVPVSSYSA-N	323.378	1.049	50	20	DDGD	
CC(C)C[C@H](N)C(=O)NNc1ncc(Br)cn1	848436366	OWFXGQVDKNKUDZ-QMMMGPOBSA-N	302.176	1.056	50	20	DDGD	
O=C(NN=Cc1ccccc1Br)N1CCOCC1	745602664	MBMGGSXFLQZRNH-UHFFFAOYSA-N	312.167	1.825	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cn1cnc2ccccc21)c1ccco1	741661578	VWNGQCRJCFPKSP-LLVKDONJSA-N	312.329	1.580	50	20	DDGD	
NC[C@H](NC(=O)NNC(=O)c1ccccc1)C1CCCCC1	841940226	POKDIBNHQRTRIH-AWEZNQCLSA-N	304.394	1.538	50	20	DDGD	
COc1ccc(NCC(=O)NN=C[C@@H](OC)[C@@H]2CCOC2)cc1	841602192	BGYAXEJJQMDYPI-IUODEOHRSA-N	321.377	1.261	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=C1CCCc2cc(C(=O)O)ccc21	842549431	MESXDGWKQILFHQ-GXFFZTMASA-N	316.357	1.966	50	20	DDGD	
O=C(NNC(=S)NC[C@@H]1CCOC1)c1cc2ccccc2o1	749722883	VQUTTWIXTRTXSE-JTQLQIEISA-N	319.386	1.578	50	20	DDGD	
CO[C@]1(C)CC(=NNC(=O)C(=O)Nc2ccccn2)C1(C)C	746577584	HCQOOABOQBNDIF-OAHLLOKOSA-N	304.350	1.327	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cn3cc(Cl)ccc3n2)n[nH]1	920372238	XRGOQRGUUCDEDO-UHFFFAOYSA-N	316.752	1.712	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1	743710389	OIHVEPZOJCAUTJ-LBPRGKRZSA-N	315.377	1.920	50	20	DDGD	
CCCC[C@H](CN)NC(=O)NNC(=O)c1cc2ccccc2o1	841956606	ADCWKUIMQSOQRK-GFCCVEGCSA-N	318.377	1.894	50	20	DDGD	
CC#CC[C@@H](CO)NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	844118169	LBKLBXGTFDOOAH-LULHVWEPSA-N	310.357	1.003	50	20	DDGD	
COC[C@@H]1COCCN1C(=O)NC[C@]1(C)C[C@H]1Br	923373620	NQBDTQWUJLERGE-FOGDFJRCSA-N	321.215	1.217	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NNc2ncncc2Cl)C1	857864355	GKGDSOPPKXCUCJ-CBAPKCEASA-N	306.757	1.662	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccc2nc(O)oc2c1	855091941	JYYUGRBTDFQXDW-UHFFFAOYSA-N	320.374	1.442	50	20	DDGD	
COCCCNC(=O)NN=Cc1c(C2CC2)nc2sccn12	755669208	UQPGXWHMKXFZGL-UHFFFAOYSA-N	321.406	1.943	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1scnc1Cl)C1CC1	855102918	ODSDDZDXDGSHFO-YFKPBYRVSA-N	304.828	1.704	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cc(C(F)(F)F)n[nH]2)n1	857541463	SLWHVYXVUZHLCB-UHFFFAOYSA-N	320.662	1.937	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)N[C@@H](CO)C2CC2)cc1	852400583	PXQSDMPHPSLKKL-AWEZNQCLSA-N	319.405	1.699	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)CO1	853374058	YGTIBKDZWUKUKQ-RAIGVLPGSA-N	306.366	1.169	50	20	DDGD	
COC(=O)C1(CNC(=O)NNC(=O)CC(C)(C)C)CCCC1	752021919	YYADSPQAGBDRGU-UHFFFAOYSA-N	313.398	1.486	50	20	DDGD	
CCN(CC(C)(C)O)C(=O)NC[C@@]1(C)C[C@H]1Br	856954841	UWNQJNADGKACRE-BXKDBHETSA-N	307.232	1.962	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@H](C)c1ccc(C)o1	854282027	BAFNEUOVMOFXJD-LLVKDONJSA-N	313.423	1.566	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNc1nc2ccccc2c(=O)n1C	859370093	BGHXNVYQNJMUSB-ZDUSSCGKSA-N	318.377	1.582	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(C=NNC(=O)c2cc[nH]n2)C1	853392801	VNMVLFIJYJCIGZ-ZUZCIYMTSA-N	319.365	1.382	50	20	DDGD	
Cn1nc(CNC(=O)NNC(=O)CC(F)(F)F)cc1C1CC1	927649846	PNTHCJVWWJWUBP-UHFFFAOYSA-N	319.287	1.080	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2	754863232	RFNGATQXCLQIGE-MRVWCRGKSA-N	309.410	1.711	50	20	DDGD	
CCC(=O)N1CC[C@@H](NC(=O)NNC(=O)c2cc(C)cs2)C1	858300791	SLXNETOLYBPYAM-SNVBAGLBSA-N	324.406	1.011	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	920819108	UYMUEFVRJNFLOO-MGPQQGTHSA-N	316.467	1.695	50	20	DDGD	
CC(C)(CCO)CNC(=O)NC[C@]1(C)C[C@@H]1Br	856956447	PNBPVPYXRLEHPJ-CABZTGNLSA-N	307.232	1.868	50	20	DDGD	
CC(CCCO)=NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C	853377625	ZWRAZSRUFCVXLK-TZMCWYRMSA-N	308.382	1.152	50	20	DDGD	
CC(=O)N1CCC(=NNC(=O)[C@H]2CCO[C@@H]2C)c2ccccc21	857211005	KSVFOQGJXJKOTI-YPMHNXCESA-N	315.373	1.689	50	20	DDGD	
C[C@@H](NC(=O)C1CCCC1)C(=O)NNc1ncc(Cl)cn1	857355552	FFPMWYFESOOWKB-MRVPVSSYSA-N	311.773	1.268	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cnc2nccnc2c1	758988461	FHTAHYDSYOTXEG-UHFFFAOYSA-N	307.313	1.408	50	20	DDGD	
CC(=O)Nc1c(C)cccc1C(=O)NNC(=O)c1ccc(C)o1	752781105	MSPGMFVSFJIJBJ-UHFFFAOYSA-N	315.329	1.930	50	20	DDGD	
C#CC[C@H](CCOC)NC(=O)NNC(=O)Cc1ccccc1C	859025490	SEMRKEIEZGQEDX-OAHLLOKOSA-N	317.389	1.296	50	20	DDGD	
O=S(=O)(CBr)NCc1ccc2c(c1)CNC2	850587954	PAZZJQNDUVZLCA-UHFFFAOYSA-N	305.197	1.062	50	20	DDGD	
Cc1ccc(NNC(=O)C2CCS(=O)(=O)CC2)cc1F	856229670	SJGPZPJGCUDJIX-UHFFFAOYSA-N	300.355	1.402	50	20	DDGD	
CN1CCN(CC(=O)NNc2cc(F)cc(Cl)c2)CC1	855618367	CLNQBPWDPKQYTL-UHFFFAOYSA-N	300.765	1.170	50	20	DDGD	
CN1CCC(NC(=O)NNc2ccc([N+](=O)[O-])cc2F)CC1	853233679	INYISVIFIOCOCY-UHFFFAOYSA-N	311.317	1.454	50	20	DDGD	
Cn1c(NNC(=O)c2noc3c2COCC3)nc2ccccc21	857866022	RDMWDGMEGKGKSL-UHFFFAOYSA-N	313.317	1.391	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2c(C)noc2C)cc1	750297906	WQCPHVZXTWTCAC-UHFFFAOYSA-N	304.306	1.767	50	20	DDGD	
CCC[C@@H](O)CC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	750069702	YRRIIGQTYBDITD-UONOGXRCSA-N	322.405	1.769	50	20	DDGD	
O=C(CO)NNC(=O)Nc1cc(C(F)(F)F)ccc1Cl	755316832	JVNAKCGAZYWFCZ-UHFFFAOYSA-N	311.647	1.504	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2ccc(C(N)=O)cn2)c1	759312244	XEFSNRJGPVOSGZ-UHFFFAOYSA-N	304.281	1.085	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](C)[C@H](C)N2CCOCC2)cc1F	853687216	MGNNHYBOTWXXQQ-STQMWFEESA-N	324.400	1.869	50	20	DDGD	
CCCN1CC[C@H](NC(=O)NC[C@@]2(C)C[C@@H]2Br)C1	856870425	QHWYDHSHFBFMDJ-GMXVVIOVSA-N	318.259	1.943	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(N(C)C(=O)C2CC2)cc1	932606842	ODHRDBGPXZDMLI-UHFFFAOYSA-N	304.350	1.622	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)C(=O)Nc1cc(F)ccc1F	764064745	PAPFDPKJNJPXHX-UHFFFAOYSA-N	311.288	1.241	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2	768957183	QCWYRGUHBIQPCS-UHFFFAOYSA-N	303.362	1.723	50	20	DDGD	
COC(=O)c1cccc(NC(=O)NNC(=O)c2ccncc2)c1	861707834	IADBZEBGQZMVHD-UHFFFAOYSA-N	314.301	1.335	50	20	DDGD	
CS[C@@H](CO)[C@@H](C)NS(=O)(=O)CC(C)(C)CCl	867018586	UHGVFKYSMDKLDL-BDAKNGLRSA-N	303.877	1.283	50	20	DDGD	
CN(C)C1(C(=O)NNc2nc3ccccc3[nH]c2=S)CC1	862294477	KVAXPJXRLALFMI-UHFFFAOYSA-N	303.391	1.830	50	20	DDGD	
Cc1cc(Cl)ccc1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1	860234193	VVOQHYWZYORWOP-JTQLQIEISA-N	310.741	1.080	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccnc3ccnn23)C[C@H]1Br	862258085	MONSYVLPQHHRQU-SKDRFNHKSA-N	309.167	1.633	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)[C@@H]2CCC(=O)N2)c(C)c1OC	863149903	IKSVTJRVNYHBAW-LBPRGKRZSA-N	319.361	1.131	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1ccc2c(c1)ncn2C	761251391	CSXYINZLAFIUOW-UHFFFAOYSA-N	314.374	1.684	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H](C)NC(=O)C2CCCC2)c1	862476858	CHOKWEKBNBALTP-JTQLQIEISA-N	323.418	1.512	50	20	DDGD	
COc1ccc(C(=O)NNc2cccc(C)n2)cc1OCCO	862520013	ANROWZLFMOIJOH-UHFFFAOYSA-N	317.345	1.527	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)Cc2cc(C)[nH]n2)[C@@H](C)C1	761251385	CMZAVYXNUYUEDS-JQWIXIFHSA-N	320.393	1.732	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNC(=O)CC(F)(F)F	763959750	UYLFQWUJUDGVDF-LURJTMIESA-N	306.288	1.620	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=S)Nc1ccccc1OC)C1CC1	873771211	ODRMIDDIAAIBPA-CYBMUJFWSA-N	323.418	1.828	50	20	DDGD	
O=C1CC[C@]2(C(=O)NNc3nc4ccccc4[nH]3)SCCN12	870213261	WZIDCRIOILSBCB-CQSZACIVSA-N	317.374	1.072	50	20	DDGD	
O=C(CCn1cnnn1)NNc1ccc(OC(F)(F)F)cc1	1119658646	KRPMYSPERJTADK-UHFFFAOYSA-N	316.243	1.105	50	20	DDGD	
CC(C)[C@@](C)(O)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874952862	JXIIPVWIDDLODG-OAHLLOKOSA-N	324.450	1.477	50	20	DDGD	
COC/C(C)=C\C(=O)NNC(=S)Nc1ccccc1OC	873770293	GHOMXIUVDAIPNS-NTMALXAHSA-N	309.391	1.606	50	20	DDGD	
COCCn1ccc(NC(=O)NNc2nccnc2C(C)C)n1	770344786	BRHWYYBUXAQCHG-UHFFFAOYSA-N	319.369	1.592	50	20	DDGD	
Cc1ncc(C(=O)NNc2ccccc2S(C)(=O)=O)c(C)n1	777420462	SMQANYPOEJEAFP-UHFFFAOYSA-N	320.374	1.254	50	20	DDGD	
CCOc1nc(C(=O)NNc2ccc(C(=O)OC)cn2)co1	773517674	PPAXKZPGIFEJSX-UHFFFAOYSA-N	306.278	1.012	50	20	DDGD	
O=C(NNc1ncccn1)c1cc([N+](=O)[O-])c2nsnc2c1	771501193	AHBGFFLEBKGCLM-UHFFFAOYSA-N	317.290	1.146	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc2ccsc2[nH]1	771921249	IMGLGKZFCVCPMK-ZETCQYMHSA-N	309.347	1.332	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)[C@@H]1COCCN1CC(F)F	885113174	QRKZDNXEJYRYRG-NSHDSACASA-N	321.274	1.374	50	20	DDGD	
COc1ccc(C(=O)NNc2cc(Cl)nc(N)n2)c(O)c1	779376499	ONNWVHDVKLDWCZ-UHFFFAOYSA-N	309.713	1.183	50	20	DDGD	
Cc1cc2c(cc1C)[C@@H](C(=O)NNC(=O)c1c[nH]nc1C)CO2	771326315	IGHLTXNEJXEHDW-ZDUSSCGKSA-N	314.345	1.272	50	20	DDGD	
O=S(=O)(CCCCl)NCCn1c(O)nc2ccccc21	881973367	LIPRMJMULPZZAO-UHFFFAOYSA-N	317.798	1.290	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc2c(c1)SCC(=O)N2	887148989	DZMMNLZGLQGFOA-UHFFFAOYSA-N	317.370	1.295	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1nc2c(s1)COCC2	775626459	XOASDGFGGOXKGJ-UHFFFAOYSA-N	310.314	1.294	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](CC)c1ccccc1	771870755	PRNOZJGRHQMCPG-WCQYABFASA-N	306.362	1.669	50	20	DDGD	
COCc1nc(C(=O)NNc2nc3ccccc3cc2C)no1	775412578	ZGSQZBOJWAZLLG-UHFFFAOYSA-N	313.317	1.830	50	20	DDGD	
N#Cc1ccc(NNC(=O)NCC2CCN(C3CC3)CC2)nc1	888900308	SOXHCNCNKXMIEC-UHFFFAOYSA-N	314.393	1.454	50	20	DDGD	
CC(C)Oc1ccc(CNS(=O)(=O)CCCCl)cn1	881792681	HUQJLRQRWPGAJA-UHFFFAOYSA-N	306.815	1.917	50	20	DDGD	
CCCC(=O)NC[C@@H]1CCCN(S(=O)(=O)CCCCl)C1	881853435	WLHDXDNQRYWMAY-LBPRGKRZSA-N	324.874	1.573	50	20	DDGD	
COc1ccc(C)cc1NC(=O)C(=O)NNc1cc(C)ncn1	783946317	YYHHTXSHWUOLAS-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccc([N+](=O)[O-])cc1Cl	783816662	SNFRYUYRSIIZHV-UHFFFAOYSA-N	312.713	1.223	50	20	DDGD	
Cc1cccn2cc(CC(=O)NNc3ncncc3Cl)nc12	781837219	WDMCHODQYFGBHH-UHFFFAOYSA-N	316.752	1.772	50	20	DDGD	
O=C(NNc1ncncc1Cl)N[C@H]1CCO[C@@H](C2CC2)C1	781016829	QNCVXSLEXKBSRC-GXSJLCMTSA-N	311.773	1.714	50	20	DDGD	
O=C(NN=Cc1cn(-c2ccc(F)c(Cl)c2)nn1)C(F)F	782908481	TWOSQRBGVWMMKS-UHFFFAOYSA-N	317.658	1.775	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)c1cccn2c(O)nnc12	780993820	QZFJHMVIMPJCGA-UHFFFAOYSA-N	323.234	1.609	50	20	DDGD	
CCc1nn(C)cc1NC(=O)C(=O)NNc1ccc(F)cc1	784779061	IEMKMPWQXIRRQH-UHFFFAOYSA-N	305.313	1.203	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@H](O)C1CCCCC1	783507404	HXUIERLMEIWVJB-OAHLLOKOSA-N	324.808	1.971	50	20	DDGD	
CC[C@@H](NC(=O)NNc1nc2ccccn2n1)C1CCOCC1	790408975	IUZUAZCKLBZTIP-GFCCVEGCSA-N	318.381	1.561	50	20	DDGD	
COc1coc(C(=O)NNc2cc(F)c(F)c(F)c2)cc1=O	798983148	WLCUIXMJBPOWEQ-UHFFFAOYSA-N	314.219	1.823	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)CCc1ccc(F)cc1F	794927219	JUKXZBWVQPGLNG-UHFFFAOYSA-N	313.304	1.746	50	20	DDGD	
O=C(CC1CSC1)NNC(=O)c1cc(Cl)ccc1O	895537834	VEOPKZLFUGZNDH-UHFFFAOYSA-N	300.767	1.560	50	20	DDGD	
COc1ccccc1S(=O)(=O)NNC(=O)c1cccc(C)n1	794600132	ZVZMNARPDMNKOI-UHFFFAOYSA-N	321.358	1.022	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)C1CC(C)(C)C1	794620929	NBYKIQOVKXKMCO-UHFFFAOYSA-N	300.362	1.840	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)N2CCN(C)CC2)[C@@H](C)C1	790180991	GNMSMRAPJMCAGZ-QWHCGFSZSA-N	324.425	1.299	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	792893405	UNURUKJUTMWZCP-IINYFYTJSA-N	322.361	1.280	50	20	DDGD	
COCC[C@@H]1CCCC1=NNC(=O)[C@H](C)CN1CCOCC1	799873002	ILIBKSGENCZSDE-KGLIPLIRSA-N	311.426	1.264	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H](C)CC(F)(F)F)n1	793057743	ABMHKGLVPLDODJ-QMMMGPOBSA-N	304.272	1.675	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)CNc1ccc(C)cc1	794906453	KMVCAYFZJZDBEG-IUODEOHRSA-N	307.394	1.615	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CCc1nc(-c2ccoc2)no1	1319014713	ANXYAEQPQMWEFS-UHFFFAOYSA-N	323.378	1.166	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccnc2OC)cc1	1317785096	MWPPBADAWLJNGB-UHFFFAOYSA-N	301.302	1.174	50	20	DDGD	
Cc1conc1NC(=O)NNC(=O)c1ccc(O)c(Cl)c1	1321034901	KPNFDTMBCDOVKI-UHFFFAOYSA-N	310.697	1.809	50	20	DDGD	
CC[C@]1(C(=O)NNc2ncc(Br)cn2)CCNC1	1326828634	KQNRNIFBOUCRQW-NSHDSACASA-N	314.187	1.072	50	20	DDGD	
CCc1nc(NC(=O)C(=O)NNc2ncncc2F)sc1C	1327839297	ZLZVAMKDOYOKJO-UHFFFAOYSA-N	324.341	1.025	50	20	DDGD	
C[C@@H]1[C@@H](CNC(=O)NNC(=O)C2CCNCC2)CCC[C@H]1C	1325324629	RNONMUJHCXEMAJ-MBNYWOFBSA-N	310.442	1.389	50	20	DDGD	
CC(=NNC(=O)c1cncn1-c1ccccc1)c1cnn(C)c1	1324321254	OVYLBASFTUVCBX-UHFFFAOYSA-N	308.345	1.760	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)C(=O)OC)c1cc(C)ccc1C	1330579297	OFCWECDHCSNNDT-LBPRGKRZSA-N	307.350	1.258	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccnc(OC2CCC2)c1	1332378961	JBYVHBKJAIBVIK-UHFFFAOYSA-N	322.434	1.920	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)NC2CC=CC2)C[C@H]1Br	1331078817	SEWLPCFAPQYGRF-SKDRFNHKSA-N	301.184	1.111	50	20	DDGD	
COC(=O)C(=O)NN=C1CCCN(Cc2ccccc2)[C@H]1C	1261236849	ZNBHFZFTGMKNHA-LBPRGKRZSA-N	303.362	1.316	50	20	DDGD	
O=C(CCNC(=O)C1CCC(Cl)CC1)N=c1cc[nH]cc1	1348739514	VZCXVVQFFVSPTB-UHFFFAOYSA-N	309.797	1.746	50	20	DDGD	
N#C/C(=C/c1csc(-c2nn[nH]n2)c1)C(=O)NC1CCCC1	1606336743	JYDHSKYKDIMOKQ-YHYXMXQVSA-N	314.374	1.894	50	20	DDGD	
O=C(NCCO[C@H]1CC1(F)F)NNc1cccc(C(=O)O)c1	1608448292	NAWSDXHOYFOVBK-JTQLQIEISA-N	315.276	1.435	50	20	DDGD	
C[C@H](CC(=O)NNc1cccc(C(=O)O)c1)c1cnn(C)c1	1604067812	DRIQSOOKFHZPTH-SNVBAGLBSA-N	302.334	1.755	50	20	DDGD	
Cc1c(NNC(=O)[C@@]2(C)CCNC(=O)C2)cccc1C(=O)O	1607551000	UMTLULQYZIWJBB-HNNXBMFYSA-N	305.334	1.053	50	20	DDGD	
COc1cc(/C=C(\C#N)c2ccncn2)ccc1-c1nn[nH]n1	1605206140	RUBNRVTVIHKLBG-IZZDOVSWSA-N	305.301	1.729	50	20	DDGD	
Cc1nc([C@@H](C)NC(=O)NNc2ccc(C(=O)O)cc2F)no1	1600687767	MBZPFNYHELDQBP-ZCFIWIBFSA-N	323.284	1.603	50	20	DDGD	
O=C(O)COCC(=O)NNc1ccc(F)cc1Br	1608756732	RYJSXYKYSOVTGS-UHFFFAOYSA-N	321.102	1.133	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccsc1C(=O)O)C1CC1	1604318746	LYHIFIKQGXCPTE-ZCFIWIBFSA-N	313.404	1.354	50	20	DDGD	
Cc1cccc(NC(=O)NNc2ccc(-c3nn[nH]n3)cn2)c1	1605920263	RNLIJSUHNRVYPV-UHFFFAOYSA-N	310.321	1.719	50	20	DDGD	
O=C(O)Cc1cccc(NC(=O)NNC(=O)CC2CCCC2)n1	1602140026	XYELDORTYUSSAF-UHFFFAOYSA-N	320.349	1.442	50	20	DDGD	
Cc1nnccc1C(=O)NNc1ccc(C(=O)O)c(Cl)c1	1600800213	QYJCISNRHGHYCL-UHFFFAOYSA-N	306.709	1.894	50	20	DDGD	
CN1CCC[C@H]1CNC(=O)NNc1ccc(C(=O)O)cc1F	1606230201	VVCKYEGDQZUDJD-JTQLQIEISA-N	310.329	1.244	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1ccsc1C(=O)O	1601561274	YDFARKQFSQICNV-UHFFFAOYSA-N	305.315	1.528	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2n[nH]c3c2CCC3)cc1F	1610836020	SHIILHHBNWJDAF-UHFFFAOYSA-N	304.281	1.493	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1cccc(F)n1	1610288253	ZQQMKQNIKIIVAG-UHFFFAOYSA-N	305.265	1.684	50	20	DDGD	
Cc1occc1C=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccnn1C	1549317992	XYACMJZJQYLFRJ-HIFRSBDPSA-N	316.361	1.940	50	20	DDGD	
C[C@H](NC1CC1)C(=O)NNc1nnc(-c2ccccn2)s1	1576238805	JAPKUUSZTGZZGB-QMMMGPOBSA-N	304.379	1.184	50	20	DDGD	
O=C(NNC(=O)[C@@]1(C(=O)O)CC=CCC1)c1cccc(Cl)c1	1574578739	NDUPMJUCVUQWSM-OAHLLOKOSA-N	322.748	1.912	50	20	DDGD	
CNC1CC(C(=O)NNc2cc(Cl)nc3c2c(C)nn3C)C1	1578594819	AYWRQDKCWNHLRV-UHFFFAOYSA-N	322.800	1.371	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2cc(F)c[nH]2)o1	1589775002	RBWBKSFNBHLHSY-UHFFFAOYSA-N	320.288	1.202	50	20	DDGD	
CC(F)(F)C(=O)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846387380	ONGWAZPSMNDCNO-UHFFFAOYSA-N	315.147	1.649	50	20	DDGD	
CC(C)(C)[C@@H](C(=O)O)C(=O)NNC(=O)c1cc2ccccc2o1	1588634766	UIMPXKOIIMQVCL-GFCCVEGCSA-N	318.329	1.941	50	20	DDGD	
NC[C@@H](C(=O)NNC(=O)Cc1ccccn1)C1CCCCCC1	1580215189	DLYXUYBVOWPDIR-OAHLLOKOSA-N	318.421	1.317	50	20	DDGD	
CC(C)(CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnc[nH]1	1847435600	RSDSBZUXGSQRKC-RYUDHWBXSA-N	324.812	1.490	50	20	DDGD	
CO[C@@](C)(C(=O)O)C(=O)NNc1ccc(OC(F)F)cc1	1593926320	GLRIIJVYWKDFPO-GFCCVEGCSA-N	304.249	1.221	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(Cl)c(F)c(C(=O)O)c1	1596663274	QDAWFWOYLYFVAY-UHFFFAOYSA-N	319.676	1.960	50	20	DDGD	
Cc1c(C(=O)NNc2ncccc2C(=O)O)ccc2cncn12	1594256574	FEXDGPWKKACCMT-UHFFFAOYSA-N	311.301	1.493	50	20	DDGD	
O=C(O)C1=NO[C@@H](C(=O)NNc2cccc(F)c2Cl)C1	1594888665	FVPBKYDVWRDFRH-MRVPVSSYSA-N	301.661	1.152	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc(C(=O)O)s2)n1	1599722315	FEOSJMOKOLVOMZ-UHFFFAOYSA-N	309.307	1.394	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)Nc1cc(C(=O)O)ccn1	1594781565	DVGTYQLDMLBCSV-UHFFFAOYSA-N	324.300	1.872	50	20	DDGD	
COCc1nocc1C(=O)NNc1cccc(F)c1C(=O)O	1599307460	USIICHSOXIRTQU-UHFFFAOYSA-N	309.253	1.415	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1590182192	ZMBVTXQEXLIGQO-RNCFNFMXSA-N	314.349	1.315	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NN=Cc1ccccc1OCC(=O)O	1776102629	UPPQLUUUNLWBDC-AAEUAGOBSA-N	306.318	1.025	50	20	DDGD	
C[C@@H]1C(=NNC(=O)c2ccc(C(=O)O)cc2)CC[C@H]1CC(=O)O	1776101027	NJGSFOPQGXBBTJ-CABZTGNLSA-N	318.329	1.991	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC[C@@](C)(C(=O)O)C1	1776293918	RCOILRMJTANZFA-GFCCVEGCSA-N	311.831	1.768	50	20	DDGD	
CC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@H]1F	1799959999	SHAWMSFOXDMUPR-XALSLBCYSA-N	316.804	2.000	50	20	DDGD	
CS[C@@H](C)CC(=O)NNC(=O)NCCc1cccs1	161212053	UKOLWQIKFSNMBA-VIFPVBQESA-N	301.437	1.763	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN[C@@H]1CCCC[C@H]1C	162417097	AKLGQRNGZAYWLM-GDBMZVCRSA-N	317.433	1.853	50	20	DDGD	
Cc1ccc(N(C)CC(=O)NNC(=O)c2cccc(C#N)c2)cc1	165342326	IQQCGRKZXZRJHW-UHFFFAOYSA-N	322.368	1.764	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)c1cc(Cl)ccc1O	153331651	VWEGJRJIQZMHKB-JTQLQIEISA-N	302.783	1.948	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H](C)NC(=O)c2ccoc2)c1	157552085	VDFSWCMZLHDEHS-VIFPVBQESA-N	321.308	1.689	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2ccccc2F)c(F)c1	155655307	OMHYZSAUAVNZGX-UHFFFAOYSA-N	316.267	1.918	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1coc(-c2ccccc2)n1	157233999	PWDTZXUSKFILHY-UHFFFAOYSA-N	300.318	1.696	50	20	DDGD	
O=C(CCNC(=O)OCC(F)(F)F)NNc1cccc(F)c1	154926842	ZNBIEBDILCFUAU-UHFFFAOYSA-N	323.246	1.947	50	20	DDGD	
CC(C)(CC(N)=O)NS(=O)(=O)c1ccc(CCCl)cc1	230725242	AGURQGGGNIEWMU-UHFFFAOYSA-N	318.826	1.400	50	20	DDGD	
C[C@H](CCO)N(C)S(=O)(=O)c1ccc(CCCl)cc1	846028962	KQRJAZOMWZZZAT-LLVKDONJSA-N	305.827	1.859	50	20	DDGD	
O=C1CCC(=O)N1[C@@H](O)[C@H](Cl)Cc1ccc2ncccc2c1	116144468	FUPWOFWDARMISK-WBMJQRKESA-N	318.760	1.852	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NC[C@@H]2CCCO2)c2ccccc21	54027907	WXYWUERKYBSSOB-NSHDSACASA-N	316.361	1.301	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Nc1nc(C)cs1	109147960	NPSIJANVORSGTE-UHFFFAOYSA-N	306.347	1.927	50	20	DDGD	
N#Cc1cccc(NNC(=O)C(=O)Nc2ccc(F)cc2C#N)c1	119451550	QZDWLGBMRMEPTC-UHFFFAOYSA-N	323.287	1.651	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)/C=C/c2cncc(F)c2)c1	104414108	CTSXEHUFXCDWGD-SNAWJCMRSA-N	310.288	1.567	50	20	DDGD	
CCc1cccc2c(CC(=O)NNC(=O)[C@@H]3CCCO3)c[nH]c12	109255287	RMMMHPOTXDKBHP-AWEZNQCLSA-N	315.373	1.599	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)[C@@H](CC)OC)cc1OC	65835426	DTAUBNWBFNOZSE-GFCCVEGCSA-N	324.377	1.670	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2cn(C)nc2C)c1C	113415163	IEDXUVAESVOUNV-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
Cc1[nH]ccc1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	174963699	KPBJLIIVGHEWCO-JTQLQIEISA-N	305.309	1.691	50	20	DDGD	
O=C(NNC(=O)C(F)(F)C1(O)CCC1)NC1CCCCC1	179972170	CHXNVQQZJATPKD-UHFFFAOYSA-N	305.325	1.200	50	20	DDGD	
Cc1nc2cc(F)cc(C(=O)NNC(=O)NC3CC3)c2nc1C	64429397	NAPYZAGMEPVIGY-UHFFFAOYSA-N	317.324	1.492	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2COc3ccccc32)c(O)c1	113460623	YFMIGJJOTBDHDA-CYBMUJFWSA-N	312.325	1.638	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H](C)OCC1CC1	68350152	GSMQMZKWKNZDLF-LLVKDONJSA-N	316.361	1.219	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(CCC#N)CC(C)(C)C	111250653	OVTGYHVGXFDQQF-CYBMUJFWSA-N	310.442	1.830	50	20	DDGD	
Cn1cc(-c2cncc(C(=O)NNC(=O)CC(C)(C)C)c2)cn1	66625022	XMYLZSBKOHLGJQ-UHFFFAOYSA-N	315.377	1.679	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1cccc(NC(=O)C2CC2)c1	27694019	WDGPXBNAMKMQRR-UHFFFAOYSA-N	324.340	1.505	50	20	DDGD	
CC(C)Nc1ncccc1C(=O)NNC(=O)Cc1cccnc1	173135172	YBYAUOFUHSVTGJ-UHFFFAOYSA-N	313.361	1.301	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)CCCN2C(=O)CN(C)C2=O)c1	120502631	HYIQTPKOZNDJDP-UHFFFAOYSA-N	318.377	1.421	50	20	DDGD	
CCC(CC)[C@H](C(=O)NNC(=O)C(C)(C)C)N1CCOCC1	173110417	PCFXOEYOAARQHY-CYBMUJFWSA-N	313.442	1.317	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H](C)n2cnc3ccccc32)n1	30648958	YFLOANDKNQXXQT-SNVBAGLBSA-N	312.333	1.539	50	20	DDGD	
CS[C@H](C)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	32486659	OQVRBCHMCNTWPM-DTWKUNHWSA-N	300.355	1.492	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc(OCC2CC2)cc1	187199047	QOFMQZVIQWFNSF-UHFFFAOYSA-N	306.366	1.190	50	20	DDGD	
COCCCOCC(=O)NNc1ccc(-c2ccccc2)nn1	182566112	UJDOVLIICQWQSU-UHFFFAOYSA-N	316.361	1.640	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(CC(=O)N(C)C)cc1	184068559	KLUUYSLAOXRACJ-NSHDSACASA-N	320.393	1.516	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(F)c2)o1	129684386	TUQFXYRKOSIHKB-UHFFFAOYSA-N	319.292	1.435	50	20	DDGD	
Cc1n[nH]c(=O)c(C(=O)NNc2ccc3ccccc3n2)c1C	181113928	GXXPODLDXIFCTB-UHFFFAOYSA-N	309.329	1.692	50	20	DDGD	
C[C@H](CNC(=O)/C(C#N)=C\c1ccc(O)cc1)Cn1cccn1	188199521	VMKIJFZFXSDYRI-MLJKTZRHSA-N	310.357	1.948	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccnn1-c1cc(C)ccn1	189837436	DIMLFIDGQFTBPC-LLVKDONJSA-N	316.365	1.775	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccncc2[N+](=O)[O-])o1	183442288	PBCZBBIANPKMGP-UHFFFAOYSA-N	305.250	1.358	50	20	DDGD	
CN(C)C(=O)NNC(=O)CCc1cnn(-c2ccccc2)c1	194928390	HTEIJFYRYQSTJZ-UHFFFAOYSA-N	301.350	1.107	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)C2CC(=O)C2)c1C	136090394	HDQVUQBWKFOXLC-LLVKDONJSA-N	304.346	1.197	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@@H]1CCOc2ccccc21	81026644	ODNHIJBDKLZDHM-CQSZACIVSA-N	311.341	1.338	50	20	DDGD	
O=C(NNC(=O)c1ncccc1C(F)(F)F)c1ccncc1	133115666	LPENJZUJOWTDRV-UHFFFAOYSA-N	310.235	1.570	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(F)(F)c2ncccc2C)o1	194732204	MJBKMCASSVJQLK-UHFFFAOYSA-N	309.272	1.844	50	20	DDGD	
Cc1cnn(CCC(=O)NNC(=O)c2ccc(Cl)nc2)c1	80355834	PYPKKWCMEQTTIH-UHFFFAOYSA-N	307.741	1.091	50	20	DDGD	
Cc1cc(C)nc(NC(=O)C(=O)NNc2cc(Cl)ccn2)c1	194159796	PGMZEIQQCBVKAL-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
CCc1nn(C)c(CC)c1CC(=O)NNc1cc(C)nc(C)n1	192369338	AAAYSVTWQFNGHT-UHFFFAOYSA-N	316.409	1.638	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1ccc2c(c1)CCC(=O)N2C	191762823	WYAATGRSQWMIIP-LCYFTJDESA-N	304.371	1.895	50	20	DDGD	
O=C(CSc1ccc(O)cc1)NNc1nc2ccccn2n1	191893521	MQMARYPARRIEAE-UHFFFAOYSA-N	315.358	1.670	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cccc(C(F)(F)F)c1F	192926558	JLJSKVXAZUYNKY-UHFFFAOYSA-N	308.231	1.376	50	20	DDGD	
CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)NC2CC2)cc1	143255314	QSEBBXQHOXZPQJ-UHFFFAOYSA-N	304.350	1.388	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(Cl)c(OC)cc1OC	266524340	KWCWECLYURHVIV-UHFFFAOYSA-N	317.729	1.156	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CN(C)C)ccc1OCC(C)C	265047138	JHRWDIHZVUCRMO-UHFFFAOYSA-N	323.393	1.053	50	20	DDGD	
COC[C@H]1CCN(C(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)C1	266021714	QEQKTRMQSQTQDB-CODCLWSRSA-N	312.373	1.607	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1cc(Cl)c2c(c1)C[C@H](C)O2	265450639	OGMXCCBDWRFWNI-LURJTMIESA-N	320.754	1.213	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)NC1CCCC1)c1ccccc1	264466479	SRHMPDOXCWDBIJ-INIZCTEOSA-N	305.378	1.821	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)COc2ccc(C#N)cc2)O1	268271590	HIFJDAQQUXUIGM-OCCSQVGLSA-N	317.345	1.042	50	20	DDGD	
O=C(NNc1cccnn1)[C@@H]1CCCN(CC(F)(F)F)C1	265548652	PJEBPHGRLBTETR-SECBINFHSA-N	303.288	1.194	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NCC[C@H](C)OC)cc1	263775988	NUOFYCLOFDMQOT-LBPRGKRZSA-N	323.393	1.383	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1ncnc2ccsc12)C(C)C	268857089	GYLZUQGYNVNTOP-JTQLQIEISA-N	309.395	1.988	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1ccc(F)cc1Cl	274235177	XCGWYRMFFGTRQL-UHFFFAOYSA-N	315.732	1.611	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccn(-c2ncccc2F)n1	368235802	QKQBJKWCCHDLGO-VIFPVBQESA-N	320.328	1.605	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNc2nc3ccccc3c(=O)n2C)CCO1	271864986	MILSVRBKABOOGY-WDEREUQCSA-N	316.361	1.192	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1[nH]nc(CC)c1Br	279707382	KCTRIIVSBSVSTI-UHFFFAOYSA-N	318.175	1.041	50	20	DDGD	
CC(C)Oc1ccccc1NC(=O)C(=O)NNC(=O)C(C)(C)C	273647133	DRTHQDGEHXTMMI-UHFFFAOYSA-N	321.377	1.606	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](O)CCc2ccccc2)n1	271048604	SHHLCQQPXMJKEA-ZDUSSCGKSA-N	316.361	1.230	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C)C1CC1	279464406	CWKLGIYWKUVKDF-WFASDCNBSA-N	320.389	1.643	50	20	DDGD	
CSSCCNC(=O)N1CCC[C@@H](N2CCNC2=O)C1	376954095	RIRATBGGOUCRMJ-SNVBAGLBSA-N	318.468	1.197	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCC1=CCCOC1)c1ccccc1	287854732	CQDZPGWHHOYLIA-HNNXBMFYSA-N	317.389	1.857	50	20	DDGD	
CCO[C@H](C)C(=O)NNC(=O)Nc1cc(OC)ccc1Cl	283622670	HKSIEBUPQGJFNN-MRVPVSSYSA-N	315.757	1.926	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	284943602	JZFGZDYXLWAUPX-MEBBXXQBSA-N	307.325	1.680	50	20	DDGD	
O=C(CN1CCCCC1=O)NNC(=O)Nc1ccc(Cl)cc1	283657821	DWSFVXRHFRMFDR-UHFFFAOYSA-N	324.768	1.505	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2(C)CCC2)cc1C	281286348	QOBOYPHVAIVSTK-UHFFFAOYSA-N	303.362	1.580	50	20	DDGD	
CC(C)(C)OC(=O)NC1(C(=O)NNc2ncccc2F)CC1	285860074	FBEMYMSUMZMCGZ-UHFFFAOYSA-N	310.329	1.721	50	20	DDGD	
CCN1C[C@H](C(=O)NNC(=O)Nc2ccccc2C)CC1=O	280893630	DFLPUCJVNAIMJE-LLVKDONJSA-N	304.350	1.016	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)COc1cc(F)cc(F)c1	290619955	ZAKHTWDCEVQGCR-UHFFFAOYSA-N	300.305	1.927	50	20	DDGD	
C[C@@H]1CSC[C@H]1NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	807475614	IEVYVVHHZVCJDN-LDYMZIIASA-N	324.362	1.290	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	294471130	VCCSZGDSBSLJGW-MFKMUULPSA-N	312.341	1.556	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)c2ccnc(N(C)C)c2)[C@@H]1SC	807972588	NKUQQPJMZCXWIS-JSGCOSHPSA-N	322.434	1.774	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1nc2cccnc2s1	806881551	HHDVZYZJFQFHBL-UHFFFAOYSA-N	306.738	1.892	50	20	DDGD	
O=C(COCc1cccnc1)NNC(=O)NC1CCCCC1	805156390	SZVULPJNJCBDOL-UHFFFAOYSA-N	306.366	1.261	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccn1C)c1ccc2c(c1)OCO2	292207315	LLILUALZQPSAKY-SNVBAGLBSA-N	315.329	1.319	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)Nc1cc(F)cc(F)c1	802001680	QBRVAOPZUNDGSO-UHFFFAOYSA-N	310.260	1.982	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(NC(=O)C(C)(C)C)nc1	296380799	YCGSELUBWCTXNJ-UHFFFAOYSA-N	308.338	1.409	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)COCc1ccccn1	805173093	ZDBDKIPMZBBLQE-UHFFFAOYSA-N	313.357	1.378	50	20	DDGD	
COCC(C)(C)CNC(=O)NNC(=O)c1cccc(N(C)C)c1	291709728	GESUKGJJOWGPKN-UHFFFAOYSA-N	322.409	1.369	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1coc2c1C(=O)CCC2	295690579	ZCXBIHJUOPGYNA-GFCCVEGCSA-N	306.318	1.129	50	20	DDGD	
C[C@@H](NCC(=O)NNC(=O)c1ccccc1)c1ccsc1	801570252	KSZMQUDNLPVJKM-LLVKDONJSA-N	303.387	1.860	50	20	DDGD	
C[C@@H](SCc1ccccc1)C(=O)NNC(=O)N1CCOCC1	299403504	WTCQVBWWCVINOE-GFCCVEGCSA-N	323.418	1.381	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)OCCN1CCNC1=O	808537950	WMGZQMQDZZIJNS-MRVPVSSYSA-N	307.188	1.364	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cc2n(n1)CCO2)c1ccccc1	290712224	GTFUIQOLRXGBQJ-GFCCVEGCSA-N	314.345	1.230	50	20	DDGD	
N#C/C(=C\c1ccc(O)c(C(=O)O)c1)C(=O)C1CCOCC1	809156476	HXZCLFQUDUYMEY-KPKJPENVSA-N	301.298	1.993	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccc(Cl)c(Cl)c1)C1CCC1	294581586	KVCRMQZPFTXJOI-LLVKDONJSA-N	317.172	1.974	50	20	DDGD	
CCOCC(C)(C)CNC(=O)NNc1ccc(Cl)nn1	808360752	SVNXQGRQLHUCDJ-UHFFFAOYSA-N	301.778	1.819	50	20	DDGD	
COC(=O)c1cncc(C(=O)NNC(=O)Nc2ccccc2)c1	801990758	XSIZPGIICWWJHA-UHFFFAOYSA-N	314.301	1.335	50	20	DDGD	
O=C(NCCCNc1ccccn1)NNc1ncncc1F	814304313	KACZXTHJFPEJOP-UHFFFAOYSA-N	305.317	1.139	50	20	DDGD	
CC(Cn1cccn1)=NNC(=O)c1cccc(S(C)(=O)=O)c1	814801476	HLFKEZGWBYLFSX-UHFFFAOYSA-N	320.374	1.093	50	20	DDGD	
CSc1nccn1-c1ccc(C(=O)NNc2nc[nH]n2)cc1	816632755	XCZSWTXLCJSVDE-UHFFFAOYSA-N	315.362	1.469	50	20	DDGD	
CON(C)C(=O)CNC(=O)NNc1c(F)cccc1Cl	817800057	DKJWJZAYDCTAIK-UHFFFAOYSA-N	304.709	1.125	50	20	DDGD	
CSc1ccc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)s1	814781366	GQPYANQHTKCXNP-QMMMGPOBSA-N	318.445	1.355	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccc(Cl)cc1F)C1CCCC1	813411116	HUEOTKIRGKGXHJ-GFCCVEGCSA-N	314.744	1.850	50	20	DDGD	
COc1ccc(COCCC(=O)NNc2ncncc2F)cc1	817081250	XLNWFDHFBKRZRX-UHFFFAOYSA-N	320.324	1.674	50	20	DDGD	
C[C@@H](C=NNC(=O)N[C@H]1CCS(=O)(=O)C1)C1CCCCC1	814816104	NLFBQQSIUFGPCO-AAEUAGOBSA-N	315.439	1.675	50	20	DDGD	
CC(C)Oc1cc(C(N)=O)ccc1NC(=O)NNC(=O)C1CC1	817347197	GFVWIKZDXMCVBL-UHFFFAOYSA-N	320.349	1.135	50	20	DDGD	
Cc1cccc(-c2n[nH]cc2C=NNC(=O)Cc2cc[nH]n2)c1	814957204	CBPQXACJBVXIJX-UHFFFAOYSA-N	308.345	1.801	50	20	DDGD	
O=C(NNC(=O)c1ccnc(-c2ncc[nH]2)c1)Nc1ccccc1	816595727	YSVWKOXCRQCEKF-UHFFFAOYSA-N	322.328	1.938	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2cc(F)c[nH]2)nc1C	815980459	METPHTJSJLOLMH-UHFFFAOYSA-N	307.285	1.186	50	20	DDGD	
CCOC1CC(=NNC(=O)c2nnc(O)c3ccccc23)C1	814740118	LYQMTMRFDJQIKX-UHFFFAOYSA-N	300.318	1.620	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1ccc(C)nc1C	814762989	PPHQJCKLEUPANN-GFCCVEGCSA-N	318.421	1.507	50	20	DDGD	
CC(Cn1cccn1)=NNC(=O)CSc1ccccc1O	814969537	PUOWOGXJEJDFGI-UHFFFAOYSA-N	304.375	1.873	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1cccc(N2CCOCC2)c1	814467504	KWKKENBUILRVGW-UHFFFAOYSA-N	320.393	1.010	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1cc2cc([N+](=O)[O-])ccc2s1	816633875	PKBYYGYXKLYHAJ-UHFFFAOYSA-N	304.291	1.685	50	20	DDGD	
COc1cccc(NC(=S)NNC(=O)N=c2cc[nH]cc2)c1	726871776	JYHUFALRMXIMSO-UHFFFAOYSA-N	317.374	1.535	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(F)cc2ccoc12	823473938	HBFWKYSHPBKRMH-KWQFWETISA-N	306.293	1.758	50	20	DDGD	
Cc1cccc(OCC(=O)NNc2cccc(-c3nn[nH]n3)c2)c1	826300429	UURRJPITMKFNKJ-UHFFFAOYSA-N	324.344	1.697	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1ccnc(Cl)c1Cl	827967722	GTTYMNVUEQVYLW-UHFFFAOYSA-N	319.148	1.075	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	820630549	PPIYVIBWWHKRQJ-NSHDSACASA-N	304.306	1.341	50	20	DDGD	
O=C(Cc1ccccc1F)NN=Cc1ccc(-c2nn[nH]n2)o1	823114707	BPMQHCYMRBJLJW-UHFFFAOYSA-N	314.280	1.292	50	20	DDGD	
C=CCCCCNC(=O)NNC(=O)CNC(=O)OC(C)(C)C	495388326	RZJMPLRFZKDYKL-UHFFFAOYSA-N	314.386	1.198	50	20	DDGD	
C[Si](C)(C)c1ccc(CNC(=O)NNc2cccnn2)cc1	820528484	RLCCCQJXJZMQNE-UHFFFAOYSA-N	315.453	1.848	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1ccc(C#N)s1	494432736	ATRTYKYSEHSMIH-UHFFFAOYSA-N	322.390	1.985	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1	823950844	FSFIONRGYJGOGU-GUYCJALGSA-N	319.405	1.025	50	20	DDGD	
CCOC(=O)CCN(C(=O)/C(C#N)=C\c1cnn(C)c1)C1CC1	822782115	OYJIDFBPKVEVIW-JYRVWZFOSA-N	316.361	1.271	50	20	DDGD	
CCN(CCO)NC(=O)c1cnc(Cc2ccc(F)cc2)s1	823855891	HVYDAJSBVBCTBX-UHFFFAOYSA-N	323.393	1.832	50	20	DDGD	
CC(=O)NC[C@H](CC(=O)NNC(=O)c1ccc(C)o1)CC(C)C	826757324	BUCHKVMKKSLSQZ-ZDUSSCGKSA-N	323.393	1.538	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC(c2ccncc2)CC1	829234861	VNYJYENAWQYUQF-UHFFFAOYSA-N	304.394	1.064	50	20	DDGD	
C[C@H]1c2cccn2CCN1CC(=O)NNC(=O)c1cccs1	727172129	HBUVKESJSLIKCC-NSHDSACASA-N	318.402	1.387	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccc(B(O)O)cc2)C[C@H]1c1ccccc1	584991575	CWJBQBCRXFJNEQ-WMZOPIPTSA-N	309.174	1.290	50	20	DDGD	
CC(C)(CN1CCOCC1)C(=O)NNc1ccc([N+](=O)[O-])cc1	821144147	SABPTKNTPRNCAN-UHFFFAOYSA-N	322.365	1.396	50	20	DDGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc(-c2nn[nH]n2)c[nH]1	823280979	KIOGKKFMLOLKMD-UHFFFAOYSA-N	321.703	1.744	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)C[C@@H](C)O1	823812875	QPWLUPRFTLYYRX-SEBNEYGDSA-N	323.437	1.069	50	20	DDGD	
O=C(NN[C@@H](C(=O)O)c1ccccc1)[C@H]1Cc2ccccc2O1	738506959	PTOLVJOZFAZTIL-HUUCEWRRSA-N	312.325	1.437	50	20	DDGD	
O=C(CC[C@@H]1CC1(Cl)Cl)NNC(=O)Cc1ccncc1	829565366	LFASFAOGLBDEJK-SNVBAGLBSA-N	316.188	1.746	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cccc(Oc2ccccn2)c1	823901714	DUGBCOFJMYCDIZ-GFCCVEGCSA-N	301.346	1.831	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)c1cc(-c2ccccc2)[nH]n1	491690393	BDLPQHZVHZJRJL-UHFFFAOYSA-N	318.340	1.670	50	20	DDGD	
CC(C)N1CCN(CCC(=O)NNc2ccc(C#N)cc2)CC1	901162385	KHWUWRNPIRKICB-UHFFFAOYSA-N	315.421	1.417	50	20	DDGD	
C[C@@H](C(=O)NN(C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C	497309820	BILKGGHQRDYBAI-VIFPVBQESA-N	302.371	1.862	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CC[C@@H]2CC[C@]21c1ccccc1	585010457	RLLIKLLXGRMFBP-LPHOPBHVSA-N	321.185	1.518	50	20	DDGD	
O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cccc(B(O)O)c1	584926557	SGGQORBTMJOVMB-HEHGZKQESA-N	301.195	1.455	50	20	DDGD	
CCn1nc(C2CC2)cc1C(=O)NNc1nc(C)cc(OC)n1	906879054	SEYXPRBDYGSRDN-UHFFFAOYSA-N	316.365	1.644	50	20	DDGD	
OB(O)c1ccccc1CNc1ccc(N2CCCCC2)nc1	585034464	PPOPFPUROGTMID-UHFFFAOYSA-N	311.194	1.364	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCCOc1ccc(F)c(F)c1	730128926	KZSHMFZFINIQKZ-UHFFFAOYSA-N	301.293	1.330	50	20	DDGD	
N#CCCN(CC1CCCC1)C(=O)c1cc(B(O)O)ccc1F	584942617	LONDJUJRJIMRMA-UHFFFAOYSA-N	318.157	1.052	50	20	DDGD	
CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)CC1CC1	832912664	FRGDLRHTJFPJNW-LBPRGKRZSA-N	311.426	1.511	50	20	DDGD	
CO[C@H](CNC(=O)[C@]1(C)C[C@@H]1Br)C(F)(F)F	906691505	ILIJELGSQKQXOD-SHYZEUOFSA-N	304.106	1.853	50	20	DDGD	
CC1=NO[C@@](C)(C(=O)NNC(=O)c2cccc(N(C)C)c2)C1	901293158	YIXBKAZAMACZJE-OAHLLOKOSA-N	304.350	1.069	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCC[C@H]2CCCN(C)C2)n1	838770726	YSDCBGPTZIMSKX-CYBMUJFWSA-N	306.414	1.451	50	20	DDGD	
CC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)c1cnccn1	734747238	SZTXRIVEZAZVSG-UHFFFAOYSA-N	300.278	1.121	50	20	DDGD	
CO[C@@](C)(CNCc1ccc(B(O)O)cc1F)c1ccccc1	585043558	NUFFHRNPICDBLA-KRWDZBQOSA-N	317.169	1.157	50	20	DDGD	
CCC[C@H](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	736426166	XXJALNCPMQZQDR-JTQLQIEISA-N	316.365	1.454	50	20	DDGD	
Cc1nn(CCC(=O)O)c(C)c1C=NNC(=O)c1ccc[nH]1	738923564	XNIGETOBOLJDMG-UHFFFAOYSA-N	303.322	1.067	50	20	DDGD	
CCN(C(=O)c1ccc(B(O)O)c(F)c1)[C@H]1CCCC[C@@H]1C	584938732	AVPVDIKODAIZEV-NHYWBVRUSA-N	307.174	1.546	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCCc3c(O)cccc32)c(F)c1	585037589	CRQQPEVSOAIWRG-INIZCTEOSA-N	315.153	1.378	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)nc1O	734862922	NZFGBFCABXUAPB-SFYZADRCSA-N	321.287	1.411	50	20	DDGD	
Cc1ccc2c(c1F)N(CC(=O)NNC(=O)C(C)C)CCC2	839078909	IRARLUQKZCZBBE-UHFFFAOYSA-N	307.369	1.690	50	20	DDGD	
CCOCC(=O)NN=C(c1c(C)nn(C)c1C)C(F)(F)F	733901103	BMAYPLAKZNRGNP-UHFFFAOYSA-N	306.288	1.456	50	20	DDGD	
C[C@H]1CN(Cc2ccccc2)CCC1=NNC(=O)NCC(=O)O	833630854	XKXPLEZYOALERS-LBPRGKRZSA-N	318.377	1.268	50	20	DDGD	
O=C(NNc1ccc(Br)nc1)[C@@H]1C[C@H]2CC[C@@H]1O2	839679766	CMGHGXPRABKCCY-BBBLOLIVSA-N	312.167	1.855	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1ccc(C(=O)OC)c(F)c1	837050802	TZCXVHOEKLBBRS-AWEZNQCLSA-N	319.336	1.153	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)ccc1N(C)C	831223627	DQQVUZPQSJACPH-DGCLKSJQSA-N	320.393	1.639	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H](C)Oc2ccccc2F)n1	914763641	ZYLUEOKBPJTIQK-VIFPVBQESA-N	306.297	1.535	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1ccc(F)cc1F	748259679	KLGCGFDMENXKOF-JTQLQIEISA-N	300.305	1.857	50	20	DDGD	
CN(C)[C@@H](C(=O)NNC(=O)CC(F)(F)F)c1ccccc1	744326239	GLRJWOPVSKSUHI-LLVKDONJSA-N	303.284	1.389	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(-n2cncn2)cc1C	742053416	KRKICKAJKCQRCN-UHFFFAOYSA-N	316.365	1.320	50	20	DDGD	
NC(=O)c1ccc(CNC(=O)NNc2ccc(F)cc2)cc1	916530920	RGPSTOUJOYAZFE-UHFFFAOYSA-N	302.309	1.751	50	20	DDGD	
COc1ccc(CN(C)C(=O)NNC(=O)c2ccccc2)cn1	747939824	GHRXJSAOTDFTIN-UHFFFAOYSA-N	314.345	1.577	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccc(O)nn2)cc1C(F)(F)F	746893597	MNLISUUSEROZHV-UHFFFAOYSA-N	323.234	1.830	50	20	DDGD	
COC/C(C)=C/C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	845086817	DHHMAMQRDAINGM-CFRMROPGSA-N	320.389	1.811	50	20	DDGD	
COc1cccc(C(C)=NNC(=O)[C@@H](C)CN2CCOCC2)c1	916363632	WWVAOIUXGDGKDV-ZDUSSCGKSA-N	319.405	1.504	50	20	DDGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)CC2COC2)cc1	913823153	WVWSDNYRHJPUHT-UHFFFAOYSA-N	323.418	1.828	50	20	DDGD	
CCc1ncc(C=NNC(=O)c2ccc(OC)cc2OC)cn1	841624828	XTKPABSYKYHLRN-UHFFFAOYSA-N	314.345	1.820	50	20	DDGD	
NC(=O)[C@H]1CCC[C@H](C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)C1	842247252	FRYOLIWEMSKSMQ-IUCAKERBSA-N	324.312	1.469	50	20	DDGD	
CC(C)C[C@@H](CN)NC(=O)NNC(=O)c1cc2c(s1)CCC2	841953289	GJZMJCZMOQDFLX-NSHDSACASA-N	324.450	1.554	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1sccc1OC(F)F	843650320	BBEBFPNKZWFYNV-RQJHMYQMSA-N	320.317	1.536	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1	917180694	MDNDQYCHZVJDTI-LLVKDONJSA-N	309.410	1.361	50	20	DDGD	
O=C(NC[C@@H]1CCCCN1)NNc1ncnc2ccsc12	841921936	SFBHONGFZCUJOI-VIFPVBQESA-N	306.395	1.460	50	20	DDGD	
COc1cccc(NCC(=O)NN=Cc2cnc3cnccn23)c1	746368425	JOQBMWXWEBSNSI-UHFFFAOYSA-N	324.344	1.300	50	20	DDGD	
Cc1cc(C=NNC(=O)c2cccn2C)ccc1-n1cncn1	743433452	GQGVHCHECYSANC-UHFFFAOYSA-N	308.345	1.678	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)[C@H]1CCCNC1	841929300	VKUVAMGOYXAMAV-YPMHNXCESA-N	322.384	1.087	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H]1CCCCO1)c1cccs1	840775597	RAQDJEGUTQLGDZ-VHSXEESVSA-N	313.448	1.874	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1(Cc2ccccc2)CCC1	843652477	JMBISTIPFTXERL-HIFRSBDPSA-N	316.401	1.972	50	20	DDGD	
Cn1c(NNC(=O)[C@@H]2CCn3cncc3C2)nc2ccccc21	848379042	AYBJEIITFJQIAP-LLVKDONJSA-N	310.361	1.476	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)CNC(=O)c2cccs2)CCN1C	741463153	ARWYDNUFYUVJDJ-SNVBAGLBSA-N	308.407	1.064	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1nc2ccccc2n1C	842553420	FJHANXQYDCQYLJ-NWDGAFQWSA-N	300.362	1.839	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cccnc1C(F)(F)F	843663401	XCXJRUBRXLRFBX-JGVFFNPUSA-N	317.267	1.286	50	20	DDGD	
C[C@H](C=NNC(=O)[C@@H]1CCS(=O)(=O)C1)CCc1ccccc1	749158503	PBUZULXDFHNLTJ-DZGCQCFKSA-N	322.430	1.792	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@@H](C)C(=O)OC(C)(C)C)n1	848666823	DWQODYHQTJVQLL-SNVBAGLBSA-N	324.381	1.694	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H](C)Cc2ccc(C#N)cc2)n1	847331941	KMDWPBJNJSJVIU-LLVKDONJSA-N	311.345	1.679	50	20	DDGD	
C[C@@H]1CN(CCC(=O)NNC(=O)[C@H]2CC23CCCC3)C[C@@H](C)O1	747513959	SITZNBGQJVVRAC-MGPQQGTHSA-N	323.437	1.213	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CCC(=O)C1	843756216	UWPIQTNQZYKCGV-ZJUUUORDSA-N	308.309	1.110	50	20	DDGD	
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1csc(N)n1	741770048	AEQLWXVCJKANQU-UHFFFAOYSA-N	321.318	1.493	50	20	DDGD	
Cc1ccn2cc(C(=O)NNc3ncnc4[nH]cnc34)nc2c1	743471228	VYUTWRXKGKABAD-UHFFFAOYSA-N	308.305	1.066	50	20	DDGD	
COC(=O)C12CC(C(=O)NNC(=O)Nc3ccccc3)(C1)C2	843880580	PVJCSBCODBEHMN-UHFFFAOYSA-N	303.318	1.183	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(C)(C)CO	847959841	VRIKGHRHUZPFGS-VIFPVBQESA-N	314.769	1.273	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCc1cccc([N+](=O)[O-])c1	843654528	RPJFCTOVTJIPCP-ZWNOBZJWSA-N	321.333	1.100	50	20	DDGD	
CCCNC(=O)NNC(=O)c1nc(C)sc1Br	847393854	JJKZVAFCLFFHMV-UHFFFAOYSA-N	321.200	1.568	50	20	DDGD	
CCC(=NNC(=O)Cn1cnc2ccccc21)[C@@H]1CCOC1	741838561	VYMAORQZPHTLFT-GFCCVEGCSA-N	300.362	1.955	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCC1=CCNCC1	841984592	DFJOYFSTOKKYSK-UHFFFAOYSA-N	302.378	1.249	50	20	DDGD	
O=C(NNc1ccccc1OC(F)(F)F)N[C@H]1CCNC1	841942026	RMHFKDSTGBCYCA-QMMMGPOBSA-N	304.272	1.573	50	20	DDGD	
Cn1cnc2cc(CNC(=O)NNC(=O)CC(C)(C)C)ccc21	924683822	IJRUANPXYSFGQC-UHFFFAOYSA-N	317.393	1.840	50	20	DDGD	
O=C(NN=Cc1ccc(O[C@@H]2CCOC2)cc1)[C@@H]1CCCCO1	853352993	NGDDQQBUEALYBW-CVEARBPZSA-N	318.373	1.874	50	20	DDGD	
CC(C)(CCNC(=O)NC[C@]1(C)C[C@@H]1Br)C(=O)O	857101153	QZBSRNIMVSLGMT-UFBFGSQYSA-N	321.215	1.960	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)no1	853373792	NOEAIBHFINFZHL-CHWSQXEVSA-N	317.349	1.335	50	20	DDGD	
CC(C)N1CCC[C@H]1C(=O)NNC(=O)c1ccc2c(c1)OCO2	929229815	HKYZXCLCYSSYPN-LBPRGKRZSA-N	319.361	1.049	50	20	DDGD	
CCOC(=O)/C=C\c1ccc(NC(=O)NNC(=O)CC)cc1	755845467	CYFGRTXKSLCYDN-YFHOEESVSA-N	305.334	1.826	50	20	DDGD	
O=C(NNC(=O)c1cnc2n1CCCCC2)c1cccc(F)n1	857339489	GDSRBUCCTNNWTO-UHFFFAOYSA-N	317.324	1.218	50	20	DDGD	
CC(C)(C)n1cnc(C(=O)NC[C@@]2(C)C[C@@H]2Br)n1	857387291	GVFVHEUCZAAODF-QPUJVOFHSA-N	315.215	1.936	50	20	DDGD	
C[C@@]1(C#N)CCCN(C(=O)NNC(=O)c2cccc(F)n2)C1	852709531	XILKNJRTMGLILL-AWEZNQCLSA-N	305.313	1.201	50	20	DDGD	
Cc1ccc(NCCNS(=O)(=O)CC(C)(C)CCl)nc1	921872319	FNALQWGHJKPAQG-UHFFFAOYSA-N	319.858	1.986	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@@H]1CC(=O)N(C(C)C)C1	853770088	CSZJPSRDZORHQU-GFCCVEGCSA-N	308.357	1.770	50	20	DDGD	
COC[C@H](C)Oc1ccc(C=NNC(=O)c2c[nH]nc2C)cc1	853309950	ZWGFFJADQXBOTO-NSHDSACASA-N	316.361	1.896	50	20	DDGD	
CCN(CC)C[C@@H](C)NC(=O)NNc1cccc([N+](=O)[O-])c1	921121862	QEANAYKATRBBSD-LLVKDONJSA-N	309.370	1.951	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1cccc(OC[C@H]2CCCO2)c1	753936263	ZJCLRDQUELGMRM-CQSZACIVSA-N	319.361	1.807	50	20	DDGD	
NC(=O)N1CCCN(C[C@@H](CBr)C2CC2)CC1	859114525	HUBMKLQILVCGFT-LLVKDONJSA-N	304.232	1.494	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H]2CC23CCOCC3)c1	858517282	QSCKHFYAAFDITG-NSHDSACASA-N	309.391	1.570	50	20	DDGD	
Cn1ccc(NC(=O)NNC(=O)Cc2c[nH]c3ccccc23)n1	756294149	MMMXLVKCQUKRCS-UHFFFAOYSA-N	312.333	1.297	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc2c(c1)CCOC2	854952971	QCPGDTGDDRMYAJ-UHFFFAOYSA-N	300.318	1.315	50	20	DDGD	
CCn1cnc(C(=O)NNC(=O)CCc2ccc(OC)cc2)c1	854509961	GKCHBKBRNFGBLE-UHFFFAOYSA-N	316.361	1.305	50	20	DDGD	
C[C@@H]1CCC[C@@H](OCC(=O)NNC(=O)c2cccc(F)n2)C1	856424974	WXOYKWRIKJKTAT-GHMZBOCLSA-N	309.341	1.577	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1C(=O)NNC(=O)CC(F)(F)F	755335958	GOBCPBRXWFDULB-UHFFFAOYSA-N	321.211	1.317	50	20	DDGD	
COc1c(F)cc(F)cc1NC(=O)NNC(=O)c1ccc[nH]1	757686093	BLDCQUSUIJULNW-UHFFFAOYSA-N	310.260	1.768	50	20	DDGD	
COc1ccc(CC(=O)NCCCSC#N)cc1[N+](=O)[O-]	854362103	AVPDXFJTEUCXAX-UHFFFAOYSA-N	309.347	1.866	50	20	DDGD	
CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cccc(F)c1	920379996	DYMQFZFPXGADSB-GFCCVEGCSA-N	313.354	1.036	50	20	DDGD	
Cc1ccccc1OCCCC(=O)NNC(=O)c1cc[nH]n1	855361857	KBMWUZBITMINIR-UHFFFAOYSA-N	302.334	1.338	50	20	DDGD	
O=C(NCC1CCC(F)(F)CC1)NNC(=O)c1cn[nH]c1	858428669	WWEOZCLTVUVRGE-UHFFFAOYSA-N	301.297	1.179	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cnc(C)nc2C)c1C	855624704	FBQNNTMOFABWSA-UHFFFAOYSA-N	314.345	1.945	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)[C@H]1CCc2cc(F)ccc21	854683218	LZVNZMJRTHRBIT-UONOGXRCSA-N	306.337	1.572	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)[C@H](O)c1cccnc1	755288181	DSFZHBRGDOLVLV-SNVBAGLBSA-N	313.239	1.067	50	20	DDGD	
C[C@@]1(CNC(=O)NCCCc2nc[nH]n2)C[C@H]1Br	856960011	LDLFPRCMHQVXCL-KCJUWKMLSA-N	316.203	1.210	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc(C(=O)O)c(F)c1	853311481	VQHMDOMJWKNIIZ-UHFFFAOYSA-N	323.324	1.279	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NC[C@]2(C)C[C@H]2Br)CCN1C	856840877	WAEWUDBDKNTIJV-UZWSLXQKSA-N	318.259	1.942	50	20	DDGD	
CNC(=S)N(C)NC(=O)COc1cc(C)c(Cl)c(C)c1	854923333	RNZYYPXWKCLCDP-UHFFFAOYSA-N	315.826	1.803	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc[nH]c1C(C)C	854286606	ZSBSXSSUQUZSNT-UHFFFAOYSA-N	312.439	1.626	50	20	DDGD	
C[C@H](C(=O)NNCC(F)(F)C(F)(F)F)C(=O)OC(C)(C)C	863101894	MAAUQZUHSLLSKI-ZCFIWIBFSA-N	320.258	1.783	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NC[C@@H](OC)c1cccc(OC)c1	864349911	YPFDIXYNKJOXLF-VSKPTYQZSA-N	304.346	1.943	50	20	DDGD	
Cc1oc(-c2ccccc2F)nc1C(=O)N1CC[C@H](B(O)O)C1	864230673	CDGUTZAMWJYPRS-JTQLQIEISA-N	318.113	1.478	50	20	DDGD	
OB(O)[C@@H]1CCN(c2nc(-c3ccncc3)nc3ccccc23)C1	864234266	SZXMRAZZANTJQR-CYBMUJFWSA-N	320.161	1.745	50	20	DDGD	
Cn1ccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)c1	763183103	LGIHENNFNWCSFD-UHFFFAOYSA-N	311.139	1.191	50	20	DDGD	
O=C(COc1ccc2ccccc2c1)NNC(=O)c1ccnnc1	761233273	FAVXYCZIEBGYOM-UHFFFAOYSA-N	322.324	1.470	50	20	DDGD	
CCC(=NNC(=O)CS(C)(=O)=O)c1ccc(F)cc1F	863186068	MTVFFUIXDIOQMG-UHFFFAOYSA-N	304.318	1.240	50	20	DDGD	
CCS(=O)(=O)c1ccc(C(=O)NN[C@@H](C)C(F)(F)F)cc1	862308731	GVTOOGGOOQGCQU-QMMMGPOBSA-N	324.324	1.665	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCC(=O)[C@@H]1CCOC1	762911408	LBPRPQQFERFRKS-BFTHVDOESA-N	301.298	1.448	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc2c(c1)ncn2C	761268008	YQEBXBACYIJREN-UHFFFAOYSA-N	315.377	1.328	50	20	DDGD	
CSSCCNC(=O)[C@@]1(C)Oc2ccccc2NC1=O	868138226	ANPMIUUCUOVNHS-CYBMUJFWSA-N	312.416	1.904	50	20	DDGD	
CCCCNc1ccccc1C(=O)NNC(=O)c1cn[nH]c1	862473021	AQJIPUAXZASMFI-UHFFFAOYSA-N	301.350	1.697	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1csc(NC2CC2)n1	769164700	UYMWAHXKMCYJCC-UHFFFAOYSA-N	317.374	1.116	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc(N2CCCC2=O)cc1)C(F)(F)F	862304379	NJWCOUMYLFZSAB-SECBINFHSA-N	315.295	1.999	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCOC2=O)cc1	869088558	WWWMNLBMHOPFJD-TZIYXEQSSA-N	300.314	1.424	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CC[C@@H](C)c2ccccc2)n[nH]1	869014925	MHBXELBJJQBBOL-GFCCVEGCSA-N	314.389	1.992	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@H]2CCN2C2CCCC2)cc1	862468345	VSDDMPNVHUTYJZ-OAHLLOKOSA-N	312.373	1.336	50	20	DDGD	
COC(=O)C(=O)NN=C1CCOc2cc(C)c(Cl)c(C)c21	1116195623	LLNYZVICWZQTEV-UHFFFAOYSA-N	310.737	1.733	50	20	DDGD	
O=C(Cc1csc2nccn12)NNC(=O)CC1CCCC1	767927879	OBOASZRYRDZHTE-UHFFFAOYSA-N	306.391	1.666	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccc(N2CCCC2=O)cc1	764602919	YZWNKBSMAKQOPP-UHFFFAOYSA-N	302.334	1.376	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@H](C)C(=O)N2CCCC[C@H]2C)cc[nH]1	875304721	DOODMIVFWWIDGR-CHWSQXEVSA-N	319.409	1.228	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNc2nc(-c3ccncc3)no2)CCC1=O	764103738	XUQITMOSQBABGL-GXSJLCMTSA-N	315.333	1.580	50	20	DDGD	
O=C(NCCS(=O)(=O)CC1CC1)NNc1ccc(F)cc1	767235241	WJEXUNONBVMMMB-UHFFFAOYSA-N	315.370	1.277	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1CCc2cc(OC)ccc2C1	879365361	CBLPKEUHGXXWMQ-CYBMUJFWSA-N	305.378	1.493	50	20	DDGD	
C[C@H](O)c1ncc(C=NNC(=O)CNc2ccccc2F)s1	773005249	LBWMYDJIBKRKKH-VIFPVBQESA-N	322.365	1.898	50	20	DDGD	
CCOC(=O)N1CC[C@H](NC(=O)NNc2ccc(F)cc2)C1	771379765	MTAUKNRYWYCBHI-LBPRGKRZSA-N	310.329	1.683	50	20	DDGD	
COCCO[C@H]1COCC[C@H]1NC(=O)NN(C)c1ccccc1	776945453	ZGTRZWJYSCVYCE-CABCVRRESA-N	323.393	1.158	50	20	DDGD	
C[C@@](CC(=O)O)(C(=O)NNC(=O)C1CC1)c1ccc(F)cc1	872831016	IOCBXKPYMWSYMK-HNNXBMFYSA-N	308.309	1.116	50	20	DDGD	
C[C@H](CS(C)(=O)=O)C(=O)NNc1cc(Cl)ccc1F	871272012	IDZMCACBOZZJOA-SSDOTTSWSA-N	308.762	1.603	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1cc(F)cc(Cl)c1	878951537	JXNIGTQGVWNBRA-UHFFFAOYSA-N	319.720	1.295	50	20	DDGD	
COC(=O)COCCNC(=O)NNc1c(C)cc(C)cc1C	875849270	WROIZUPRMCZIEQ-UHFFFAOYSA-N	309.366	1.428	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CC[C@@H]2CCOC2)c1	874949793	DRYOMGMJJXIUTH-CYBMUJFWSA-N	317.414	1.802	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)C(=O)NN=Cc1ccc[nH]1	771568292	ROZONKOAXSSHPL-UHFFFAOYSA-N	304.737	1.435	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1ccc(O)cc1OC	1115821237	DFDNGAFEQWGLFN-LCYFTJDESA-N	304.346	1.851	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cc2c(cc1F)CCC(=O)N2	878206897	HPCBYDIMVCXKAJ-UHFFFAOYSA-N	310.285	1.445	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)/C=C\[C@@H]2CCOC2)c1	874952062	LLQWXXFRWUSECC-FMFIFOJESA-N	315.398	1.578	50	20	DDGD	
CC(C)Oc1ccccc1[C@H](C)NCC(=O)NNC(=O)C1CC1	774979062	GISCUGCQMQLKMU-LBPRGKRZSA-N	319.405	1.682	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccn(Cc2ccccc2)n1	773515764	DEEMTYROLHZUBD-UHFFFAOYSA-N	312.308	1.617	50	20	DDGD	
CCOc1cnc(C(=O)NNc2nccnc2C(C)C)cn1	772888599	IGBJYNLIZLSSQV-UHFFFAOYSA-N	302.338	1.546	50	20	DDGD	
C[C@H](CN1CCCCC1)NC(=O)NNc1ccc(C#N)cn1	887708299	RACYSABHVKYFGY-GFCCVEGCSA-N	302.382	1.454	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1c(N)cccc1Cl	772116319	WUNLJPLCOSJYKM-ZETCQYMHSA-N	313.741	1.025	50	20	DDGD	
CCc1c(C(=O)NNC(=O)C2CCOCC2)cnn1CC(C)C	883066682	HESQTOSOSXDZEP-UHFFFAOYSA-N	322.409	1.289	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccncc2)ccc1[N+](=O)[O-]	770588492	HTRQLTAKVRTZLV-UHFFFAOYSA-N	300.274	1.762	50	20	DDGD	
O=S(=O)(CCCCl)N1CCO[C@H](Cc2ccccc2)C1	882045914	PFGBVIDTQLNQNH-CQSZACIVSA-N	317.838	1.889	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)[C@H]1C[C@@H]1c1cccc(F)c1	882678604	FDTTYHUOWAJSNL-NEPJUHHUSA-N	314.382	1.678	50	20	DDGD	
CCCSc1cccc(NC(=O)NNC(=O)CN(C)C)n1	880263851	WOUYYOSJLBIWBV-UHFFFAOYSA-N	311.411	1.298	50	20	DDGD	
CSC1(C(=O)NNC(=O)COc2cccc(C)c2)CCC1	786635073	XOFCCYKXHJXCFR-UHFFFAOYSA-N	308.403	1.807	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)NC[C@H]1C[C@H]2C=C[C@H]1C2	1122109091	QHPSTOZAXAEVQD-SDDRHHMPSA-N	301.350	1.051	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](C(C)C)N1C[C@@H](C)O[C@H](C)C1	887142844	CGQXKMALAXKMIW-FMKPAKJESA-N	323.437	1.071	50	20	DDGD	
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)[C@@]1(C)CCCO1	782237663	AIDPKYKBZXTQLA-CQSZACIVSA-N	307.306	1.975	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cccc(OCCOC)c1	887142068	UUASIRVZAJMVSQ-UHFFFAOYSA-N	304.346	1.276	50	20	DDGD	
CCCc1c(C(=O)NN(C)C(=O)NCC)[nH]c(C)c1C(C)=O	780711739	SPJYQHSJVFBNMW-UHFFFAOYSA-N	308.382	1.784	50	20	DDGD	
Cc1cccc(C(=O)NNc2ccccc2S(N)(=O)=O)c1	788232608	VGJWCNFWDHATFU-UHFFFAOYSA-N	305.359	1.399	50	20	DDGD	
O=C(Cc1cccc(C2CC2)c1)NNC(=O)C1CCOCC1	883071634	IMOYWTDMAIFMHJ-UHFFFAOYSA-N	302.374	1.681	50	20	DDGD	
Cc1cc2cc[nH]c2cc1NC(=O)NNC(=O)Cc1cc[nH]n1	782090327	JDOBDKVUWPLTMR-UHFFFAOYSA-N	312.333	1.595	50	20	DDGD	
Cc1cc(Cl)cc(C)c1S(=O)(=O)N1CC[C@H](B(O)O)C1	887330957	DHNDDONTSGFPGZ-JTQLQIEISA-N	317.603	1.194	50	20	DDGD	
CC[C@@H](C)[C@@H](C)C(=O)OCC(=O)NNC(=O)c1ccccc1	780242675	OBHHHGKWHLCXQB-VXGBXAGGSA-N	306.362	1.673	50	20	DDGD	
CC(=O)N[C@@](C)(C(=O)NNc1cnnc2ccccc12)C(C)C	894893219	PCGUXMDDYYELIU-MRXNPFEDSA-N	315.377	1.624	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H]1CCCN(C(C)=O)C1	780738144	HJQVOEIUVQBPDS-LBPRGKRZSA-N	319.361	1.175	50	20	DDGD	
O=C(NNc1ncncc1Cl)N[C@@H]1CCN2CCCC[C@@H]12	780988821	JDPBVHQREBDFRF-MNOVXSKESA-N	310.789	1.383	50	20	DDGD	
COC1CCC(C(=O)NNC(=O)COc2ccccc2F)CC1	780155652	FHJOFRVTFFXNJP-UHFFFAOYSA-N	324.352	1.557	50	20	DDGD	
Cc1cccnc1C=NNC(=O)c1nnc(O)c2ccccc12	781583251	ZNKUIFIFOXPIIX-UHFFFAOYSA-N	307.313	1.803	50	20	DDGD	
C=CC(=O)N(CC)CC(=O)NNC(=S)Nc1cccc(C)c1	899940859	YHQPDLGBAMSTNU-UHFFFAOYSA-N	320.418	1.347	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H]1C[C@@H]1c1cc(OC)ccc1OC	788088920	RJXQYBFDRYGSAL-YPMHNXCESA-N	321.377	1.548	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)N1CC[C@@H](CO)[C@@H](O)C1	799000275	SXGPWQVIJRECQB-XQQFMLRXSA-N	319.492	1.902	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C[C@H]2CCCOC2)c1	794906836	LNZUAILHUKESIE-GFCCVEGCSA-N	321.377	1.071	50	20	DDGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1nnc(O)nc1O	791726962	OMUAEACIUHQINK-UHFFFAOYSA-N	316.104	1.347	50	20	DDGD	
COc1ccc(F)c2[nH]c(C(=O)NNC(=O)C3CCC3)cc12	793477046	IKFHJTAAOIVHFQ-UHFFFAOYSA-N	305.309	1.877	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cc2ccccc2c(O)n1	791255427	CEJLFXVGRLSESW-UHFFFAOYSA-N	320.312	1.740	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C	792809801	QTJDREPVJMYNQZ-JTQLQIEISA-N	313.398	1.435	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C1CC(C)(C)C1	794608807	MYLCNUOFVCFXHG-UHFFFAOYSA-N	306.362	1.658	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1ncc(Cl)n1C	799478126	SPMARWNYZQFFDW-UHFFFAOYSA-N	306.753	1.775	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2cc(Cl)ccn2)n1	794354725	YLACDILZUFOKRK-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNC(=S)NCCSC)C1	793767820	SNSWVOJJGQOHMN-GHMZBOCLSA-N	319.496	1.440	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC(C(N)=O)CC1	1318593241	IJHJZFINHKVMRB-UHFFFAOYSA-N	312.801	1.076	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccnc2)c(C)n1CC1CC1	1322469562	WFDPKVAPAIEROE-UHFFFAOYSA-N	312.373	1.985	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccc(C)cc1-c1cnn(C)c1	1321808578	HXHLFVGZSWJHRU-UHFFFAOYSA-N	300.318	1.019	50	20	DDGD	
C[C@@H](NNC(=O)c1ccn(CC(F)(F)F)n1)C(F)(F)F	1337349762	NEUPZSZQAYFSMK-RXMQYKEDSA-N	304.194	1.631	50	20	DDGD	
O=C(CCNc1ccccc1)NNC(=O)OCC(F)(F)F	1331278520	BNSJFTZFKQSQID-UHFFFAOYSA-N	305.256	1.808	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)[C@]1(F)CCOC1	1330138137	LNDLPNVHERNWRP-LBPRGKRZSA-N	309.326	1.172	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc2c(c1)NC(=O)CC2	1334145028	ODYUIGBOEJANMY-UHFFFAOYSA-N	314.345	1.528	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)NCC(F)(F)F)c(C)n1	1337218835	MSDXIUJPYREMNQ-UHFFFAOYSA-N	307.276	1.108	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2(Br)CC2)cc1	1261904674	LNKDRXFNJDODHZ-UHFFFAOYSA-N	313.151	1.384	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H](C(=O)O)C(C)(C)C	1604401988	SFZOOVNZCQQUTF-LLVKDONJSA-N	308.334	1.663	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@H]2CCC[C@@H](C(=O)O)C2)c1Cl	1608274029	MCGSDSKCYKHTCL-NKWVEPMBSA-N	313.745	1.046	50	20	DDGD	
O=C(NNC(=O)c1ccc(C(=O)O)c(F)c1)Nc1ccccc1	1608479064	JXSPMPMONZIBOE-UHFFFAOYSA-N	317.276	1.990	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cnsn2)ccc1C(=O)O	1605201923	GYMCZNBBGNGDAO-UHFFFAOYSA-N	321.318	1.011	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc(C(=O)O)cc2F)n[nH]1	1600095578	NRWCGFXHQIHQRI-UHFFFAOYSA-N	321.268	1.022	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2ncn(-c3ccccc3)n2)c1	1602450143	LOQLXBJIDLUIJA-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
Nc1c(F)cc(F)cc1C(=O)NNc1ccc(CC(=O)O)cc1	1601211071	ZNVDJUHBWYPNHW-UHFFFAOYSA-N	321.283	1.931	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cccc3c2CCOC3)nc1	1602383024	PCISIJVKROTYGE-UHFFFAOYSA-N	313.313	1.609	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2ccc(C(=O)O)s2)n1	1607350743	NSICSUVGEAEHEN-UHFFFAOYSA-N	323.334	1.071	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)Nc1cc(C(=O)O)n(C)n1	1600536126	FOAQAIDTMGUPFW-UHFFFAOYSA-N	307.285	1.714	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1ccc(F)cc1C	1549317140	JTIOFICTLDUDJS-GOEBONIOSA-N	319.380	1.838	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H]2CCCO[C@@H]2c2nccn2C)o1	1549308519	HZVQKGAACINUCY-KBPBESRZSA-N	316.361	1.940	50	20	DDGD	
CC(C)(C)[C@@H]1CC(=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)CCO1	1549903915	DLJPZANGWXDCNB-KKUMJFAQSA-N	323.437	1.547	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@@H]2CCCO[C@@H]2c2ccnn2C)[C@@H](C)O1	1549315326	MKYLAASDTJVRFW-BLTAXRJOSA-N	320.393	1.557	50	20	DDGD	
O=C(O)Cc1cccc(NC(=O)NNc2ccc(F)cc2)n1	1610795595	SCFAOLPNBSDZGV-UHFFFAOYSA-N	304.281	1.996	50	20	DDGD	
CCOc1ccc(C(=O)NN[C@H](C(=O)O)C2CC2)cc1OC	1610039910	ZRPACHYFAIUIGW-ZDUSSCGKSA-N	308.334	1.192	50	20	DDGD	
CCc1cc(NNC(=O)[C@@H]2NC[C@@H]3C[C@@H]32)nc(-c2ccccn2)n1	1578249129	OCGXCDHYMKTQMQ-ITDIGPHOSA-N	324.388	1.152	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C2=CCCNCC2)c1C	1579768233	SBFZVZRSKWQLDK-UHFFFAOYSA-N	318.446	1.931	50	20	DDGD	
C[C@H]1NCC[C@@H]1C(=O)NNC(=O)c1cc2c(s1)CCCCC2	1576885303	DDYOHKRZDIXGIL-PWSUYJOCSA-N	321.446	1.776	50	20	DDGD	
O=C(NNc1nccnc1Cl)[C@]1(c2ccccc2)CCNC1	1580742657	BLCXSVZFTLFVKD-OAHLLOKOSA-N	317.780	1.504	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(-c2nn[nH]n2)cn1)c1cccnc1	1589054625	MJLGFZCZASCFCO-UHFFFAOYSA-N	324.348	1.078	50	20	DDGD	
O=C(Cc1ccsc1)NNC(=O)[C@@H]1CNc2ccccc21	1580576199	GRHXADCEDLCPTP-GFCCVEGCSA-N	301.371	1.647	50	20	DDGD	
O=C(NNc1c(F)cccc1F)c1csc(-c2nn[nH]n2)c1	1582561861	XPZSLMAJJFDWCC-UHFFFAOYSA-N	322.300	1.963	50	20	DDGD	
CO[C@H]1CCC[C@@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)C1	1591354206	ODQJJBLPNDIGMW-YPMHNXCESA-N	316.365	1.515	50	20	DDGD	
CC(C)/C=C/C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2	1846752901	VHLSBNPTDGTBII-ZYOFXKKJSA-N	314.813	1.002	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNc1ccc(C(=O)O)cc1F	1598838174	KCLGAVTZLYGXIG-MRVPVSSYSA-N	312.297	1.556	50	20	DDGD	
Cc1ccc(C(=O)NNc2ncccc2C)cc1-c1nn[nH]n1	1592128087	IUQLUTIVJKCORL-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
CCCn1cc(C(=O)NNc2cccc(C(=O)O)c2F)nn1	1596112377	YPJLHJLJYVMPEH-UHFFFAOYSA-N	307.285	1.282	50	20	DDGD	
C[C@]1(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)O)C[C@@H]1Br	1593745171	FIRRIYLTGJSBKD-PTRXPTGYSA-N	316.195	1.873	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC2CCC(C(=O)O)CC2)cn1	1594537959	NFWSENIKPIYOEI-SDQBBNPISA-N	302.334	1.087	50	20	DDGD	
C[C@@]1(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)O)C2)C[C@@H]1Br	1593749799	SDBZSNALSZPQMT-NGERZBJRSA-N	316.195	1.873	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)O)CC=CC1)c1cccc(Cl)c1	1594778850	BNTZCCUALUUYDQ-UHFFFAOYSA-N	308.721	1.522	50	20	DDGD	
Cc1ccccc1NC(=O)NN=Cc1c(C(=O)O)cnn1C	1776035540	JPVPDXBTVUCFFQ-UHFFFAOYSA-N	301.306	1.582	50	20	DDGD	
O=C(COCc1ccccc1)NN=Cc1cc(C(=O)O)co1	1776044376	DMVOIWMPNXNNLM-UHFFFAOYSA-N	302.286	1.645	50	20	DDGD	
COCCOCCCCNC(=O)NNc1cccc(C#N)c1	158582599	MDYQHSQRMRPPRR-UHFFFAOYSA-N	306.366	1.628	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)c2ccc3c(c2)C(=O)NC3=O)c1	158616048	OSPQCXJJWSMUAZ-UHFFFAOYSA-N	309.325	1.944	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cccc(F)n2)cc1C	160306903	HQNBMHMELCQHNN-UHFFFAOYSA-N	317.320	1.678	50	20	DDGD	
Cc1c(CC(=O)NNC(=S)NC(C)(C)C)cccc1[N+](=O)[O-]	152975156	CTGSXSZRWAWMBU-UHFFFAOYSA-N	324.406	1.740	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)Cc1ccc(F)cc1)c1cccnc1	152120627	VQXYAJSCMWEOEM-HNNXBMFYSA-N	317.320	1.298	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)CC(C)C	153722912	HSXRJEHDZKGPNY-UHFFFAOYSA-N	322.365	1.334	50	20	DDGD	
CC[C@@H]1CCCCN1CCNC(=O)NNc1ccc(OC)cn1	157282033	FDCPZBBXFKOMQQ-CYBMUJFWSA-N	321.425	1.981	50	20	DDGD	
O=C(NNC(=O)[C@]1(O)CCSC1)c1cc2ccccc2o1	157476774	VFGIAPKPWDXGKT-AWEZNQCLSA-N	306.343	1.062	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)c2c[nH]nc2C)c1C	157953086	MCWDMHHLSHZRTR-UHFFFAOYSA-N	304.354	1.098	50	20	DDGD	
NC(=O)c1ccc(OCCC(=O)NNc2cccc(F)c2)cc1	154956309	OIEFAQCCWVTFCB-UHFFFAOYSA-N	317.320	1.837	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1cccc(Br)c1	6990973	RCCKVMCNUOCJNN-UHFFFAOYSA-N	308.135	1.852	50	20	DDGD	
Cc1cccc(NNC(=O)CCn2cc([N+](=O)[O-])nc2C)c1	109428313	KYMUNEPKDNCHGX-UHFFFAOYSA-N	303.322	1.942	50	20	DDGD	
CN1N=C(C(=O)NNc2cccc(C(F)(F)F)c2)CCC1=O	57648771	VQPXPJNHJIVGOR-UHFFFAOYSA-N	314.267	1.757	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2ncoc2C)cc1	102322622	FPMDMJVGXRTPNZ-UHFFFAOYSA-N	305.359	1.845	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)n1	113622788	BXSATPCZAKQORK-UHIISALHSA-N	321.425	1.655	50	20	DDGD	
Cc1ccccc1-n1ncc(C(=O)NNC(=O)NC2CC2)c1C	64427720	DAYIJPJSVASTKW-UHFFFAOYSA-N	313.361	1.596	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCN(C)C2CCCC2)n1	175469495	HRDYWJMBBMLSOF-UHFFFAOYSA-N	322.413	1.294	50	20	DDGD	
CCNC(=O)NNC(=O)C1(c2ccc(C)cc2)CCOCC1	110664131	OATWRJJDPZFKGN-UHFFFAOYSA-N	305.378	1.394	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)CC(C)(C)C)cc1F	103060512	UALUNGMOGXUZBU-UHFFFAOYSA-N	302.371	1.880	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H]1C[C@H]1C1CC1	175823805	GFBKJQUPFLZNIR-UONOGXRCSA-N	302.374	1.821	50	20	DDGD	
Cc1cccc2c1CC[C@H]2NC(=O)NNC(=O)c1cnn(C)c1	118072377	LOBHGVRZCSXONZ-CQSZACIVSA-N	313.361	1.360	50	20	DDGD	
O=C(CCn1ccccc1=O)NNc1cc(F)c(F)cc1F	115718120	UOZQSYZGHKMUNA-UHFFFAOYSA-N	311.263	1.799	50	20	DDGD	
Cc1c(CNC(=O)NNc2cc(F)c(F)cc2F)cnn1C	179345498	VZCXXPPZCAPUEN-UHFFFAOYSA-N	313.283	1.972	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)C[C@H]1C[C@H](C)CC(C)(C)C1	66601945	DBMXSUFGGHQWDW-NWDGAFQWSA-N	311.426	1.511	50	20	DDGD	
CCc1c(C(=O)NNC(=O)NC(C)C)cnn1-c1ccccn1	63269064	YGUYZSFGARJENN-UHFFFAOYSA-N	316.365	1.182	50	20	DDGD	
O=C(NNc1cnccn1)Nc1cnn(Cc2ccccn2)c1	179877974	DFTUDNVSODAGAR-UHFFFAOYSA-N	310.321	1.265	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2cc(F)c(F)cc2F)CC1	178537973	GEBPJXUQJZKYAI-UHFFFAOYSA-N	302.252	1.890	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)NC1CCCC1	68283559	JIOLHPMUMYIQHE-QMTHXVAHSA-N	319.361	1.488	50	20	DDGD	
CC[C@@H](C)N(C)CCNC(=O)NNC(=O)c1ccc(C)s1	171075780	ZMZMKVNPJRDROZ-SNVBAGLBSA-N	312.439	1.731	50	20	DDGD	
C[C@H](Cc1cccc(F)c1)C(=O)NNC(=O)c1cnn(C)c1	117679884	LGBQHISEIIGNIW-SNVBAGLBSA-N	304.325	1.199	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)CC(C)(C)C	171483226	QFLQKXAKGZACQM-QMTHXVAHSA-N	306.362	1.799	50	20	DDGD	
Cn1cc(CCC(=O)NNC(=O)CCCc2ccccc2)cn1	68051781	DUKTXBBZLFKDGQ-UHFFFAOYSA-N	314.389	1.523	50	20	DDGD	
COCCOCCNC(=O)NNc1ccc(Cl)c(F)c1	175324844	SZLWILZPOZLGGD-UHFFFAOYSA-N	305.737	1.768	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(Br)cnc1Cl	122015923	SUPLZBPHUXJBPH-UHFFFAOYSA-N	322.546	1.888	50	20	DDGD	
COC[C@@H](NC(=O)NNc1ccc(C(C)(C)C)nn1)C1CC1	126719303	UBRILQGZYKIXLQ-LLVKDONJSA-N	307.398	1.825	50	20	DDGD	
COc1cccc2[nH]cc(CC(=O)NNC(=O)C(C)(C)C)c12	180521510	CICGLDQBPIJBQK-UHFFFAOYSA-N	303.362	1.913	50	20	DDGD	
NC(=O)NC1(C(=O)NNc2c(Cl)cc(F)cc2Cl)CC1	124378013	TYZFQGGASGSDHM-UHFFFAOYSA-N	321.139	1.777	50	20	DDGD	
COC(=O)N1CC(NC(=O)/C(C#N)=C\c2ccc(F)cc2)C1	183680683	DHUIELHNLBOXFH-WDZFZDKYSA-N	303.293	1.299	50	20	DDGD	
COc1cccc(SCC(=O)NNC(=O)c2ccc[nH]2)c1	120017476	UBGRFBWJLUQYIN-UHFFFAOYSA-N	305.359	1.577	50	20	DDGD	
O=C(NCC[C@@H]1CCCCO1)NNc1nc2ccccn2n1	189861814	LZTRMHCEZLWKLF-NSHDSACASA-N	304.354	1.315	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ccccc1[N+](=O)[O-])N1CCCC1=O	121121280	JSZGGZWWEICAQG-AWEZNQCLSA-N	320.349	1.685	50	20	DDGD	
CO[C@H]1CN(C(=O)NNC(=O)c2ccc(C)s2)CC[C@@H]1C	187438145	GUDTZDLCNOKTLD-ONGXEEELSA-N	311.407	1.768	50	20	DDGD	
O=C(NNc1ccc(F)cc1)C1CCN(c2cnccn2)CC1	78560733	JGQVVHBCXPDGKQ-UHFFFAOYSA-N	315.352	1.975	50	20	DDGD	
Cc1nn(C(C)(C)C)cc1C(=O)NNC(=O)c1cccn1C	181803625	XJBQBXUQVXAQRA-UHFFFAOYSA-N	303.366	1.360	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc(S(C)(=O)=O)cc1	31822695	BERWLYINIPCLKS-UHFFFAOYSA-N	312.391	1.287	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@H](CO)Cc1ccccc1	125920571	BVGSVKPOZSEBBJ-ZDUSSCGKSA-N	305.827	1.528	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Cc1nc(C)sc1C	120398085	KSMMLVWXRBWEAE-UHFFFAOYSA-N	319.386	1.772	50	20	DDGD	
CCCn1cc(NC(=O)NNC(=O)c2ccccc2OC)cn1	186222618	HUAQCVKKHZPGOS-UHFFFAOYSA-N	317.349	1.768	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cnn([C@@H](C)C3CC3)c2)[nH]n1	189781426	CLTKWYIVBKMJGO-VIFPVBQESA-N	317.353	1.352	50	20	DDGD	
O=C(C[C@@H]1COC(=O)C1)NNc1ccc(-c2ccccc2)nn1	132178975	FPALCCWARFGXCZ-NSHDSACASA-N	312.329	1.540	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCCn1ccnc1	43311397	AJTMEWFLXBCBBR-UHFFFAOYSA-N	302.338	1.227	50	20	DDGD	
COc1ccc(CCC(=O)NNc2nc3ccccn3n2)cc1	191925554	BSXNNQKJEYLSFU-UHFFFAOYSA-N	311.345	1.814	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2cc(C3CC3)[nH]n2)c1	44848050	NAXVTQZLALVCFM-UHFFFAOYSA-N	314.345	1.436	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NC[C@@H]2Cc3ccccc32)cc1	195329021	YOSVFANIVOVZHF-HNNXBMFYSA-N	320.352	1.842	50	20	DDGD	
O=C(Cc1ccc(F)cc1Cl)NNC(=O)c1cccnc1	131472978	OLFHLBOQJCDYPR-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@@H](C(C)C)N2C[C@H](C)O[C@H](C)C2)c1	88422366	OQOCEEHLMXBVEE-IJEWVQPXSA-N	320.437	1.967	50	20	DDGD	
O=C(CCc1ccco1)NNC(=O)COc1ccc(F)cc1	45050002	IIGNCSGNBOOYRH-UHFFFAOYSA-N	306.293	1.578	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C(C)(C)O)c1cn(C)c2ccccc12	192925688	YHUAUXAIFXEUGN-SNVBAGLBSA-N	303.362	1.200	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@H]1COc2ccc(F)cc2C1	90398245	VEVPVOMVRNSFNY-LLVKDONJSA-N	308.353	1.960	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Cc2cccnc2)c(C(C)(C)C)n1	92243279	MDYNRARVTNQVIK-UHFFFAOYSA-N	315.377	1.116	50	20	DDGD	
Cn1c(=NNC(=O)c2n[nH]cc2[N+](=O)[O-])sc2ccccc21	255026642	STMFEYAHOXYQQE-UHFFFAOYSA-N	318.318	1.117	50	20	DDGD	
Cn1cccc1C=NNC(=O)COc1ccccc1[N+](=O)[O-]	254303648	WQLOMUMXEFNRIX-UHFFFAOYSA-N	302.290	1.462	50	20	DDGD	
O=C(NC[C@@H]1CCN(c2ccccc2)C1)NNC(=O)C1CCC1	264704907	HSAOAIDXSPFCPP-ZDUSSCGKSA-N	316.405	1.643	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)nc(N2CCCC2)c1)NC1CC1	264843173	FEHHBKASGXVXKS-UHFFFAOYSA-N	323.784	1.442	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C	268131106	PPLHELNSACVXSD-WFASDCNBSA-N	316.405	1.422	50	20	DDGD	
COc1ccc(Cl)c(S(=O)(=O)NNC(=O)CC(C)C)c1	264890376	XHNPYOKMUYTIFS-UHFFFAOYSA-N	320.798	1.704	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCN2C(=O)OC[C@@H]2C1	363857576	CRKOZTIZUPXUSQ-GMMCIKNFSA-N	315.304	1.396	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCOc1ccc(F)c(F)c1	264401295	ZOUSZZRJKIGWME-UHFFFAOYSA-N	315.320	1.720	50	20	DDGD	
O=C(CC1CC1)NNc1ccc(S(=O)(=O)C(F)F)cc1	264078163	CMPDEMWWJFUUGC-UHFFFAOYSA-N	304.318	1.926	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1occ2c1CCOC2	367676524	WYWNUIFRKZFMGS-UHFFFAOYSA-N	310.313	2.052	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC12CCOCC2)c1cccc(Cl)c1	360911696	DSIXJARLYKDPJE-GFCCVEGCSA-N	308.765	1.918	50	20	DDGD	
COC(=O)CCCC(=O)NNc1nc(O)c2ccccc2n1	274018698	BHGCPNAJVSHKOL-UHFFFAOYSA-N	304.306	1.122	50	20	DDGD	
O=C(NNC(=O)c1cc(F)c(F)c(O)c1F)NC1CCCC1	273348569	XQOMTNQMWJFYOT-UHFFFAOYSA-N	317.267	1.696	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@@H]1CC12CCOCC2	365788736	UYAGNXHPOBNFBX-AWEZNQCLSA-N	302.374	1.583	50	20	DDGD	
CC(C)c1cc(NC(=O)NNc2cc(Cl)nc(N)n2)no1	276714160	XAZBBEJEKZOIND-UHFFFAOYSA-N	311.733	1.972	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1nc(-c2ccsc2)oc1C	271460206	XBANPCTZXBRDRC-UHFFFAOYSA-N	322.390	1.947	50	20	DDGD	
Cn1cc([C@H]2OCC[C@@H]2C(=O)NNc2cccc(F)c2F)cn1	276127110	YSNJQLLYNHEJJM-IINYFYTJSA-N	322.315	1.919	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC12CCOCC2)c1cccc([N+](=O)[O-])c1	363314420	MFQRXZUSAYZLIB-LBPRGKRZSA-N	319.317	1.173	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)[C@@H](C)SC	270478873	FIMGRCPSMIUERJ-SECBINFHSA-N	314.432	1.686	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H]2CCCCS2(=O)=O)c1	275087752	TXNWYYRKQVADNO-LBPRGKRZSA-N	316.354	1.245	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CC2)nn1-c1ccc(F)cc1	271943434	BGAGTVVNVNWBTD-UHFFFAOYSA-N	302.309	1.491	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1cc(F)cc(Cl)c1	275433435	FREMYXMKQPPFFC-UHFFFAOYSA-N	309.750	1.334	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccccc1C[S@](C)=O	274122387	XFGJFVOXWOSWLA-NRFANRHFSA-N	311.407	1.764	50	20	DDGD	
O=C(NNC(=O)c1ccnc(Cl)c1F)NC1CCCC1	271039069	GTERWJLZKFERTM-UHFFFAOYSA-N	300.721	1.761	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)NCCC=C(C)C	276823493	NACNUZLTJLRNNC-UHFFFAOYSA-N	321.377	1.761	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1ccc2c(c1)CCCO2	271313909	MPVRNPFNFUYTHV-UHFFFAOYSA-N	312.391	1.367	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1CCCN1c1ccccc1	373939219	PKNXBSJYZMXXGI-CYBMUJFWSA-N	304.419	1.337	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)c1ccc(Cl)cc1OC)C(C)C	281061162	LKXSMBIOKDNVOR-GFCCVEGCSA-N	323.780	1.950	50	20	DDGD	
CNC(=O)NNC(=O)CC[C@H](O)c1ccc(C(C)(C)C)cc1	282922812	FISGCYVTXCVEFC-ZDUSSCGKSA-N	307.394	1.758	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C[C@H]2CC[C@@H](C)C2)cc1	282655024	HOUMUZBUWQFJSX-OLZOCXBDSA-N	317.389	1.907	50	20	DDGD	
O=C(NNc1ncccc1F)[C@H]1CCCN(CC(F)(F)F)C1	285807575	AYBQXJRDZYASLJ-VIFPVBQESA-N	320.290	1.938	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CC23CCS(=O)(=O)CC3)cc1	286987695	DRBQNIJUSZVENP-CYBMUJFWSA-N	308.403	1.653	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cnc(C2CCCC2)nc1N	289003283	INQSHCVTOZAAFQ-UHFFFAOYSA-N	319.409	1.914	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNC(=O)CC(C)C)c(C)cc1C	281113500	UXDFYYVGANPFBU-UHFFFAOYSA-N	321.377	1.444	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Nc2cc3n(n2)CCCC3)cc1	287349280	MLNBRZQQTMZCLY-UHFFFAOYSA-N	324.344	1.558	50	20	DDGD	
O=C(NNc1cccnn1)C(=O)Nc1ccc(C2CCC2)cc1	280314453	RJNMHISUSQOUNW-UHFFFAOYSA-N	311.345	1.826	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1ccc(NC(=O)N(C)C)cc1	281161404	PEOWVPSSNLEXAP-ACCUITESSA-N	316.361	1.840	50	20	DDGD	
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NNc1ncccc1F	286107099	VWFXFWFRMGASBR-GFCCVEGCSA-N	320.324	1.711	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)CCc1cccc(Cl)c1	284955928	CCQDLVYTDRZYNE-JTQLQIEISA-N	318.826	1.879	50	20	DDGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NNc1ccc([N+](=O)[O-])cc1	285918940	ZPZLGBNWNIPEGV-ZANVPECISA-N	308.338	1.589	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)NCC(F)(F)F)c1	281329519	UBGATWVVAOTENJ-VIFPVBQESA-N	319.283	1.655	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H]1C(=O)NNc1nc(C(F)(F)F)cs1	288122701	YJZYCDZXNRKTSX-WDSKDSINSA-N	323.296	1.804	50	20	DDGD	
CCOc1ccc(NNC(=O)NCc2n[nH]c(CC)n2)cc1	297275244	FXJBPVOCWVITMK-UHFFFAOYSA-N	304.354	1.592	50	20	DDGD	
C#CCCOc1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1	295394676	RUIVSWUVECMXBC-AWEZNQCLSA-N	302.330	1.029	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNC(=O)[C@@H]2CCCCO2)cc1	295667269	WNMPUIQGFPBHRW-WFASDCNBSA-N	320.389	1.590	50	20	DDGD	
CCCOc1ccc(/C=C/C(=O)NNC(=O)[C@H]2CCCO2)cc1	293273296	GJCOQZIPKRZYID-JOZWUWCOSA-N	318.373	1.815	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2CC(F)(F)C2)cc1	801110775	GSQXNHCSPVKQFS-UHFFFAOYSA-N	311.288	1.126	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C[C@@H]1COc2ccccc2O1	295062292	KUWUGHCQOOMNFR-LLVKDONJSA-N	306.362	1.800	50	20	DDGD	
CSC[C@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802096662	ZHVXYATXOPZXQW-QMMMGPOBSA-N	311.363	1.567	50	20	DDGD	
COC(=O)c1ccc(Br)c(NNC(=O)[C@@H](C)O)c1	294237906	PMLHHKJKZFOLOX-ZCFIWIBFSA-N	317.139	1.060	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1nccn2ccnc12	805382695	UTIAHUFSZKGWFN-UHFFFAOYSA-N	312.289	1.703	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCCc1cnn(C)n1	293839262	HFXKVKHDTLJDIY-UHFFFAOYSA-N	324.816	1.230	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H](Cc2ccccc2)OC)n1	294569906	ZWODOYKOPAQJLH-LBPRGKRZSA-N	302.334	1.186	50	20	DDGD	
O=C(NNc1ncncc1F)c1cc2c(nc1O)CCCC2	293967576	KCEGCJYGSITUEN-UHFFFAOYSA-N	303.297	1.352	50	20	DDGD	
O=C(NNC(=O)c1cncc(O)c1)Nc1ccc(Cl)cc1	803394147	OBVZNUMJVBBGHZ-UHFFFAOYSA-N	306.709	1.907	50	20	DDGD	
C[C@H]1CCC[C@@]1(O)CNC(=O)/C(C#N)=C\c1ccc(O)cc1	294133690	KVQJJBVGEOPHGO-QIRYFQOFSA-N	300.358	1.966	50	20	DDGD	
CN(C)N(C(=O)c1ccc2cc[nH]c2c1)[C@H]1CCS(=O)(=O)C1	298829880	VTFYHDQJOHLXOK-ZDUSSCGKSA-N	321.402	1.274	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2ccccc2C(C)(C)C)CC1	807382057	VLQGCEFGEJUCDK-UHFFFAOYSA-N	318.421	1.586	50	20	DDGD	
O=C(Cn1cc(Cl)cn1)NNc1ccc2c(=O)[nH]ccc2c1	807506681	IJIONWRQLJCJNK-UHFFFAOYSA-N	317.736	1.521	50	20	DDGD	
CCN1C(=O)C[C@H](C(=O)NN(C)C2CC2)[C@H]1c1cccnc1	819653481	RCSHUFVKHGIIFI-DZGCQCFKSA-N	302.378	1.117	50	20	DDGD	
O=C(CCc1cncs1)NNC(=O)NCCc1cccs1	814407124	BTIWXDPFAAEGNE-UHFFFAOYSA-N	324.431	1.710	50	20	DDGD	
COc1ccc(CNC(=O)NNc2ncncc2F)c(OC)c1	814279571	HAFPKDQOBRGGGI-UHFFFAOYSA-N	321.312	1.459	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc(C#N)cc(N(C)C)c2)n1	814416459	OMMQKZXWSYLTRH-UHFFFAOYSA-N	323.356	1.403	50	20	DDGD	
COC(=O)C(C)(C)CC=NNC(=O)c1ccc2c(c1)OCO2	814699975	LYBVPOBXWGBGRV-UHFFFAOYSA-N	306.318	1.720	50	20	DDGD	
O=C(NN=C1CCn2cccc21)c1nn(-c2ccccc2)cc1O	818260074	QUROABGYLRGBHM-UHFFFAOYSA-N	321.340	1.917	50	20	DDGD	
O=C(NCCc1cn[nH]c1)NNc1ccc(OC(F)F)cc1	812522477	LLNOZHNPLJONTF-UHFFFAOYSA-N	311.292	1.880	50	20	DDGD	
CN(C)c1cccnc1CNC(=O)NNc1ncncc1Cl	811933528	CEJFCYMGCLOZAA-UHFFFAOYSA-N	321.772	1.417	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NN=Cc1cnn(C)n1	814917282	SDEBWQNSNAYTJU-SECBINFHSA-N	307.741	1.386	50	20	DDGD	
CSCc1cccnc1C(=O)NNc1ccnc(N(C)C)n1	810427529	LJFWFSHPUYZGTF-UHFFFAOYSA-N	318.406	1.558	50	20	DDGD	
CCNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)CCl	819915408	FZAZBMHCMQJDQQ-GFCCVEGCSA-N	316.810	1.076	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)CCOc1ccccc1	812535885	JISDUAYQJOZUMC-OLZOCXBDSA-N	308.378	1.522	50	20	DDGD	
CCOCC(C)=NNC(=O)c1nn(C)c(=O)c2ccccc12	726417647	PABZYZPINTTXBF-UHFFFAOYSA-N	302.334	1.076	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](O)CCSC)c([N+](=O)[O-])c1	827255527	RIGSJNNQTUBBOE-LLVKDONJSA-N	315.351	1.161	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)c1ccc(OC)c(OC)c1	822189453	QCECOZYIUZPZEZ-GFCCVEGCSA-N	310.350	1.280	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1	822548260	ZMTJWIIUSBVMSE-WDEREUQCSA-N	308.363	1.166	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cc(O)nc2c1CCCC2	823367730	BXLLCFLQRDZCEP-UHFFFAOYSA-N	317.267	1.379	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)[C@H](C)NC(=O)OC(C)(C)C	497297034	XCHSMSCRLUZINF-JTQLQIEISA-N	323.397	1.666	50	20	DDGD	
CCN(CCO)NC(=O)c1cnn(CC)c1-c1ccccc1	823879489	NIRVVPFDOHXMKV-UHFFFAOYSA-N	302.378	1.529	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cc3n(n2)CCCC3)c1	828091645	TWQFUSPQZAHMIY-UHFFFAOYSA-N	314.345	1.763	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCOC1)c1cncn1-c1ccccc1	727726668	GSRGDGLVKWNKKS-GFCCVEGCSA-N	314.345	1.060	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2	825649309	KVTOVXIOZDJRTJ-AVGNSLFASA-N	317.389	1.691	50	20	DDGD	
C=CCC(C)(C)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	495965838	CLPRUYCXQJKOJD-UHFFFAOYSA-N	313.398	1.651	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)CCN1CCCC1=O	822728215	PQOHVUYAKBEPEN-UHFFFAOYSA-N	323.324	1.068	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](C)Sc1ccc(F)cc1	822547110	HODCJRCKBYUQHM-QMMMGPOBSA-N	301.412	1.774	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cc([C@@H]2CCCOC2)nn1C	490906674	DVZXVFBZVRREBH-KPMWUXBGSA-N	304.350	1.697	50	20	DDGD	
CN1CCC[C@H](CCNC(=O)NNC(=O)OC(C)(C)C)C1	496849673	UEUAMZXRJUGYPX-LLVKDONJSA-N	300.403	1.457	50	20	DDGD	
OB(O)c1ccccc1CNCc1cc2c(s1)CCCCC2	585020942	LZUDLHCBQKAMPF-UHFFFAOYSA-N	315.247	1.987	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCCCOc1cccc(C#N)c1	823959668	NOOAAQGSIFCAQK-ZDUSSCGKSA-N	305.378	1.451	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCC(OCCO)CC1	490841727	JNWRZLIYIASYHO-SDNWHVSQSA-N	318.348	1.733	50	20	DDGD	
COc1ccc(CCCCCC(=O)N2CC[C@H](B(O)O)C2)cc1	585065241	DYPZMKRACHZYMF-HNNXBMFYSA-N	319.210	1.873	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C	496690514	JRINNBDIAVKORR-ZJUUUORDSA-N	316.402	1.276	50	20	DDGD	
CC(C)[C@H](NCc1ccccc1B(O)O)c1nc2ccccc2[nH]1	585032907	QHZXNXCBZORXHT-KRWDZBQOSA-N	323.205	1.730	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)/C=C\c2cccnc2)cc1	493702682	CHVDAQBJRHBLIV-WTKPLQERSA-N	312.329	1.956	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)cc1C	495326257	IJVPEDAJICMSOL-UHFFFAOYSA-N	307.350	1.798	50	20	DDGD	
Cn1c(C(=O)N2CC[C@H](B(O)O)C2)ccc1-c1ccc(F)cc1	585078219	WIUJPIYYEVQULR-LBPRGKRZSA-N	316.141	1.520	50	20	DDGD	
Cc1cc(N(C)C)cc(C)c1NC(=O)NNC(=O)c1cc[nH]n1	822094838	ZMGQPJGIPNLJHC-UHFFFAOYSA-N	316.365	1.559	50	20	DDGD	
C[C@H](c1cccc(C#N)c1)N(C)CC(=O)NNC(=O)C1CC1	823616575	AIGLPMPQNXRLSS-LLVKDONJSA-N	300.362	1.108	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)cc1C	908325636	WKARPJLTBHWHLJ-BPLDGKMQSA-N	316.357	1.840	50	20	DDGD	
COC(=O)NNC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F	495368128	XRMJCUYQTLMLMQ-UHFFFAOYSA-N	311.313	1.811	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NNc2cnnc3ccccc23)C1	733811742	ODKSIJKUONMSKR-LBPRGKRZSA-N	313.361	1.331	50	20	DDGD	
CC(C)C(=O)NNC(=O)CCN1C(=O)CCc2ccccc21	737766985	XSTBKYIZSMPLNE-UHFFFAOYSA-N	303.362	1.159	50	20	DDGD	
CCOc1ncc(C)cc1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	831840665	PSGVXDFWMJMWKY-MNOVXSKESA-N	322.365	1.366	50	20	DDGD	
C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)NNC(=O)C1CCCC1	737048594	YDOWSAQFMHPPSU-NWDGAFQWSA-N	324.425	1.297	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1ccc(O[C@H](C)C(=O)O)cc1	490938621	FNWGLPQIFULDCI-VSXLWIIGSA-N	318.329	1.208	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	837598457	RGRKLZGGYOSPRS-TUAOUCFPSA-N	301.346	1.763	50	20	DDGD	
COC(=O)N(C)N=Cc1cccc(C=NN(C)C(=O)OC)c1	497200990	FYRIPUCHKANLSD-UHFFFAOYSA-N	306.322	1.751	50	20	DDGD	
O=C(O)c1ccc2c(C=NNC(=O)[C@H]3CCCCO3)n[nH]c2c1	834984354	ALKAUJIBUQIOSN-CYBMUJFWSA-N	316.317	1.280	50	20	DDGD	
COC[C@@H]1CN(C(=O)[C@]2(C)C[C@@H]2Br)C[C@@H](C)O1	907626001	WMKNOCAPUYQPEZ-FYLLDIAZSA-N	306.200	1.422	50	20	DDGD	
C[C@@H]1C[C@@H](NCc2ccc(B(O)O)cc2)CN1Cc1ccccc1	585028437	KFCFTRHJKBXERL-DNVCBOLYSA-N	324.233	1.119	50	20	DDGD	
CC[C@H](NC(=O)c1cccc(B(O)O)c1)[C@H](C)c1ccccc1	584956801	IDODIGFTKSDWGB-DYVFJYSZSA-N	311.190	1.679	50	20	DDGD	
O=C(NCB(O)O)c1cc2cc(C(F)(F)F)ccc2s1	585062788	NLADRDJPODYVCL-UHFFFAOYSA-N	303.070	1.662	50	20	DDGD	
O=C(Cc1ccccc1F)NN=Cc1cc(C(=O)O)ccc1O	739345067	IMBSSURGHMVWHC-UHFFFAOYSA-N	316.288	1.922	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)[C@H]1CCCCO1)c1cccnc1	833236515	RZWHZSVWGYGRLX-KGLIPLIRSA-N	305.378	1.538	50	20	DDGD	
Cn1c(=O)oc2cc(C=NNC(=O)[C@@H]3CCCCO3)ccc21	834986092	MHWMUJSQOUGVDA-LBPRGKRZSA-N	303.318	1.151	50	20	DDGD	
O=C(O)NN=C1CCC[C@@H](N2C(=O)c3ccccc3C2=O)C1	832743928	FWZLYXAEECWCTE-SNVBAGLBSA-N	301.302	1.849	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNc1cccc(C(=O)OC)c1	838774983	SENKRCCQVFVTAE-OLZOCXBDSA-N	307.350	1.667	50	20	DDGD	
CC(C)c1ccc(NNC(=O)CCN2C(=O)CCC2=O)cc1	837058552	RAZGICASVYFVHD-UHFFFAOYSA-N	303.362	1.792	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccccc1C(F)(F)F)C1CCC1	900661763	ZKXHLGRQGKHODP-LLVKDONJSA-N	316.279	1.686	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1C(=O)O)c1ccc(Cl)cc1Cl	739454095	QBTCZGSRBROXOC-HTQZYQBOSA-N	317.128	1.475	50	20	DDGD	
C[C@H](CBr)COC(=O)/C(C#N)=C/c1cnn(C)c1	837972755	XOZHZCPAHCGKDH-HBAUCTPOSA-N	312.167	1.901	50	20	DDGD	
CC[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)c1csc(C)c1	585004047	WMZBJYJEXAYJNY-CQSZACIVSA-N	321.182	1.757	50	20	DDGD	
CCc1onc(C)c1C=NNC(=O)[C@@H]1COc2ccccc2O1	901128741	LPUTUPJPXHUMKV-HNNXBMFYSA-N	315.329	1.836	50	20	DDGD	
CC[C@H](C)n1ncc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1C	831722409	YMPQMPLTDKNWNP-WCQGTBRESA-N	323.397	1.740	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)c1cnn(-c2ccccc2)c1	733077376	WDDNZMBSJQSSDR-UHFFFAOYSA-N	322.372	1.987	50	20	DDGD	
CN(C)[C@H](C(=O)N1CC[C@H](B(O)O)C1)c1cccc(Cl)c1	585068492	BPQZOFBZDTXQJR-AAEUAGOBSA-N	310.590	1.018	50	20	DDGD	
O=C(N1CC[C@H](B(O)O)C1)C1(c2cccc(Cl)c2)CCC1	585072025	GGKQJGITCUSJQR-LBPRGKRZSA-N	307.586	1.837	50	20	DDGD	
Cc1ccc(CNS(=O)(=O)CCl)c(O[C@H]2CCOC2)c1	830855737	SIRDFLCRTZAXEN-LBPRGKRZSA-N	319.810	1.778	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCOC[C@@H]1C1CCC1	830219217	LELYHHRXKLBAGF-TZMCWYRMSA-N	311.426	1.069	50	20	DDGD	
C=C(C)CCNC(=O)NNC(=O)c1ccc(OC)cc1OC	836284812	CMSDHFABAYVCOX-UHFFFAOYSA-N	307.350	1.614	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNc2nccc3sccc23)CC1=O	839684636	YCWIYGZLJCJHRG-JTQLQIEISA-N	318.402	1.998	50	20	DDGD	
COc1cccc2cc(C(=O)NNC(=O)c3ccncc3)oc12	915059461	SNHXUZPCLNCBBU-UHFFFAOYSA-N	311.297	1.911	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)[C@H]1CCCc2nn[nH]c21	830837338	HXXIFARPEHKHDR-ZETCQYMHSA-N	311.267	1.785	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCc1ccc(Br)cc1	910164367	VLWVYZUGLHAVAG-SNVBAGLBSA-N	315.211	1.726	50	20	DDGD	
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN(C)C[C@H](C)O	910160444	IIGFIJXBSBCNOT-RYUDHWBXSA-N	317.430	1.270	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1sccc1-n1ccnn1	837339560	XWMLYLHTVFRBHB-UHFFFAOYSA-N	305.363	1.280	50	20	DDGD	
COC1(OC)CC(NC(=O)/C(C#N)=C/c2ccc(O)cc2)C1	911027272	ANOANKJAHAJZOS-KPKJPENVSA-N	302.330	1.567	50	20	DDGD	
COCCOc1ccc(Cl)cc1C(=O)NN(C)C[C@@H](C)O	910162682	IRWHKBRGZPCVQP-SNVBAGLBSA-N	316.785	1.323	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)CC(F)(F)F	918363936	FAKHOVSEWFHAEH-WRWORJQWSA-N	318.251	1.315	50	20	DDGD	
O=C(NN=Cc1cccc(O)c1O)[C@H]1COc2ccccc2O1	916293622	WPIODTJHMISLPL-CQSZACIVSA-N	314.297	1.388	50	20	DDGD	
CN(C)C(=O)NN=C1C(=O)Nc2ccc(Br)cc21	745605551	SYOUYIURKCXUHI-UHFFFAOYSA-N	311.139	1.377	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=Cc1ccc(O)c(O)c1	915930126	SSHSMOXCIXZXGR-UHFFFAOYSA-N	310.313	1.818	50	20	DDGD	
O=C(Cc1csc(N2CCOCC2)n1)NN=Cc1ccc[nH]1	917564404	CRUYAZATJOUWRC-UHFFFAOYSA-N	319.390	1.001	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc([C@@H](C)C(=O)OC)cc1	841772248	WLAQIFDGDCNZPV-SNVBAGLBSA-N	323.349	1.152	50	20	DDGD	
NNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	841843007	ATMUWUHUJSINNG-VIFPVBQESA-N	300.309	1.430	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=S)NC2(C)CCC2)c1	840703276	LKCRTCSJFGFABX-UHFFFAOYSA-N	323.418	1.755	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2ncsc2c1	843639855	KJQZXDHOJAHPHM-WPRPVWTQSA-N	305.359	1.482	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@@H](C)NC(=O)NNC(=O)CC(F)(F)F	840416384	LKBGFNPTSJSHQX-RDDDGLTNSA-N	311.304	1.473	50	20	DDGD	
O=C(NCc1nc(-c2ccccc2)n[nH]1)NNC(=O)C1CCC1	741415783	YRAYBFMLCBTQFA-UHFFFAOYSA-N	314.349	1.102	50	20	DDGD	
C#CCCCNC(=O)NNC(=O)c1cc(OC)cc(OC)c1	743689974	ILADIQQFBSTHEN-UHFFFAOYSA-N	305.334	1.061	50	20	DDGD	
CCc1nn(C)c(CC)c1S(=O)(=O)NCCCSC#N	916985955	YNMUXDGHKXNGCA-UHFFFAOYSA-N	316.452	1.428	50	20	DDGD	
CCOc1cccc(C=NNC(=O)CCN(CC)CC)c1O	916355616	VTMGGBIYJCAHCZ-UHFFFAOYSA-N	307.394	1.973	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@@H]1CCCN2CCCC[C@@H]12	847442844	OJLSRGCMYZWULT-CABCVRRESA-N	316.405	1.648	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)C1CCN(Cc2ccccc2)CC1	910170025	XFNOGJCPHNBGRZ-CQSZACIVSA-N	305.422	1.242	50	20	DDGD	
N[C@H]1CCC[C@H](NC(=O)NNC(=O)c2c[nH]c3ccccc23)C1	841981810	JVKLTNHWOAXLRZ-QWRGUYRKSA-N	315.377	1.382	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)Cc2csc(C)n2)cc1	846371174	XUUWFLHVDKIZLC-UHFFFAOYSA-N	319.386	1.853	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccccc2O)c(C)c1	743291584	NGHBFHFJZJHEKJ-UHFFFAOYSA-N	300.314	1.784	50	20	DDGD	
COCC1(CC(=O)NNC(=O)c2cccc3cccnc23)CC1	843777886	DSRNUXSHOVDCIC-UHFFFAOYSA-N	313.357	1.813	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CCN(C)[C@@H](C)C2)cc1C	741462016	HHQJXKNAXYGPKC-ZDUSSCGKSA-N	316.405	1.828	50	20	DDGD	
CCCN1CCC[C@@H]1C(=O)NNC(=O)c1cccc(Cl)c1	749561987	UDQZCRMEZNSWHL-CYBMUJFWSA-N	309.797	1.975	50	20	DDGD	
CCN(C)c1ccc(C(C)=NNC(=O)C(=O)NC2CC2)cc1	748076966	ZJXTXWPDJDOXQJ-UHFFFAOYSA-N	302.378	1.262	50	20	DDGD	
CN(C)c1nccc(NNC(=O)CCc2ccc(F)cc2)n1	740102551	LPINLVLEEDMJEX-UHFFFAOYSA-N	303.341	1.758	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)N[C@@H]1CC[C@H](C(N)=O)C1	922792582	VLBXFMPNDHJDSX-GXSJLCMTSA-N	310.785	1.929	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=C1CCN(C(=O)CC(C)(C)C)CC1	842553173	FGNXHLYKUQSELN-OCCSQVGLSA-N	323.437	1.942	50	20	DDGD	
O=C(C[C@@H]1CCc2ccccc2C1)NNC(=O)c1ncccn1	841355051	WGELTLGNXQGXAJ-GFCCVEGCSA-N	310.357	1.433	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccn(-c2ccc(Cl)cc2)n1	756866769	FPOOYVBVLVBNBH-UHFFFAOYSA-N	306.753	1.943	50	20	DDGD	
CNC(=O)c1cccc(NC(=O)NNC(=O)C2CCCC2)c1C	755659722	XZQNHUXOMGSISX-UHFFFAOYSA-N	318.377	1.698	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CCCn2cccn2)ccc1C	857268097	XQTNDHKVRNVDAV-UHFFFAOYSA-N	316.361	1.902	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1sc(Br)nc1C	854921749	ZGPZKXIFBZVQAA-UHFFFAOYSA-N	323.241	1.295	50	20	DDGD	
Cn1ncc(C2CC2)c1C=NNC(=O)COc1ccccc1O	853351775	ULPUEELILILXQS-UHFFFAOYSA-N	314.345	1.532	50	20	DDGD	
Cc1ccc2cccc(S(=O)(=O)NNC(=O)CC(C)C)c2n1	753981043	HZQRVEPWECJPOL-UHFFFAOYSA-N	321.402	1.899	50	20	DDGD	
CC(C)(C)SCCCC(=O)NNC(=O)C(=O)N1CCCC1	753985951	KMDZFYNHLKCYJB-UHFFFAOYSA-N	315.439	1.068	50	20	DDGD	
O=C(NNC(=O)c1ccn(C(F)F)n1)OCC(F)(F)F	856022607	IISIKLUNLWIUDJ-UHFFFAOYSA-N	302.159	1.212	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2cccc(F)n2)C[C@@H](C2CC2)O1	852709845	GAKGKTZYZOJOSM-CABZTGNLSA-N	322.340	1.074	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1	854408897	CCKDAUZOJNZUIB-SNVBAGLBSA-N	323.324	1.298	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1ccc(-n2nccn2)cc1	755917351	XRYCIZCJVXFANL-UHFFFAOYSA-N	314.349	1.610	50	20	DDGD	
COC[C@H](NC(=O)NNc1cc(F)ccc1F)[C@H]1CCCO1	922251774	ZDMGBIZNCOBGKV-QWHCGFSZSA-N	315.320	1.785	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccc(F)cc1Cl)S(C)(=O)=O	921641167	RHDWXPKHGWCESJ-ZETCQYMHSA-N	323.777	1.538	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NN=Cc1ccnn1CC1CC1	853268350	AVRNEJDPYIEYIV-UHFFFAOYSA-N	322.372	1.793	50	20	DDGD	
CC(C)c1nnnn1CC(=O)NC[C@@]1(C)C[C@@H]1Br	857393630	LYGVLTPRWUZRSI-GZMMTYOYSA-N	316.203	1.086	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNC(=S)NCC1CCC1	855089454	RHOOXYHVDAIDMF-UHFFFAOYSA-N	322.434	1.698	50	20	DDGD	
CC1(C)CC(C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)C1	855833144	HACOEQIDIFHVJI-UHFFFAOYSA-N	311.426	1.513	50	20	DDGD	
CC[C@@H](C)n1ncc2c(C(=O)NNC(=O)C3CC3)cc(C)nc21	750715449	DZGJKOUKWLSBQW-SNVBAGLBSA-N	315.377	1.882	50	20	DDGD	
C[C@H](c1ccccc1)[C@H](O)CNS(=O)(=O)CBr	851858984	WGIXJGICRTVDLX-MWLCHTKSSA-N	322.224	1.423	50	20	DDGD	
COCCn1cc(CNC[C@]2(C)C[C@@H]2Br)cn1	856807226	MHYKBUDNFFXKIK-RYUDHWBXSA-N	302.216	1.793	50	20	DDGD	
O=C1N[C@H](C(=O)NNc2ccccc2C(F)(F)F)CCO1	858278946	MJMLYAKVVWVALM-VIFPVBQESA-N	303.240	1.647	50	20	DDGD	
COC(=O)[C@@H](C)Oc1ccc(C=NNC(=O)C2CCC2)cc1	758368824	BBUFVNUDKASLNL-LLVKDONJSA-N	304.346	1.877	50	20	DDGD	
Cn1cncc1CCC(=O)NC[C@]1(C)C[C@H]1Br	857390426	DVUFLRVWBILUAU-PWSUYJOCSA-N	300.200	1.642	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2[nH]c(C)nc2C)c(C)c1	856791694	BQGGKMYRGBSARI-UHFFFAOYSA-N	315.377	1.516	50	20	DDGD	
CC(C)(C=NNC(=O)c1ccc(-n2cnnn2)cc1)CCC#N	755570238	WLIPOLZMCMLGTG-UHFFFAOYSA-N	311.349	1.708	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Nc2cccc(C#N)c2)nc1	758512926	BCRQPDCHATZUAH-UHFFFAOYSA-N	311.301	1.888	50	20	DDGD	
CCC(CC)(C(=O)NNC(=O)c1cc[nH]n1)c1ccccc1	855357390	IGQVUEWVQPKHGM-UHFFFAOYSA-N	300.362	1.929	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1c[nH]nc1-c1ccc2c(c1)OCO2	752773075	USQVYHHONVRTTK-UHFFFAOYSA-N	323.312	1.379	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1cc(F)ccc1O	755678634	KPZODHAJEPABNQ-UHFFFAOYSA-N	305.265	1.004	50	20	DDGD	
O=C(NCC1(C2CC2)CCC1)NNC(=O)c1cccc(F)n1	852223307	SUQBFAUZFVVVRE-UHFFFAOYSA-N	306.341	1.745	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccccc1CN1CCSCC1	756269470	GPDIHWXXSXYTAF-UHFFFAOYSA-N	322.434	1.798	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCOc1ccccc1Cl	752705328	VJTQAJZXJCIIEM-UHFFFAOYSA-N	315.757	1.086	50	20	DDGD	
O=C1CC[C@@H](C(=O)OC[C@@H](CBr)C2CC2)CN1	859509662	YLZXMBRNCJUTHZ-NXEZZACHSA-N	304.184	1.477	50	20	DDGD	
C[C@]1(CNC(=O)NCCN2CC=CCC2)C[C@@H]1Br	856956295	XNIPVLJYVZHUHQ-WCQYABFASA-N	316.243	1.721	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)n1	858264513	JUUDBRONNHZJCS-JKSUJKDBSA-N	318.377	1.658	50	20	DDGD	
CCC[C@@H](C(=O)NNc1ccc(C)cc1Cl)S(N)(=O)=O	854843082	INXSDQGCHIWQJK-NSHDSACASA-N	319.814	1.549	50	20	DDGD	
CNC[C@H](C)NC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	851682618	XTJQPLQLXFOWJJ-ZJUUUORDSA-N	324.450	1.425	50	20	DDGD	
CC(C)(C(=O)NNc1cnccn1)c1ccc([N+](=O)[O-])cc1F	762815029	KAZYWCHCJSTKCH-UHFFFAOYSA-N	319.296	1.945	50	20	DDGD	
COC(=O)N(C)NC(=O)C1CC(O)(c2cccc(Cl)c2)C1	861656219	DHDHBHKERCTAPS-UHFFFAOYSA-N	312.753	1.667	50	20	DDGD	
CCCCC(=O)OCC(=O)NNC(=O)Cc1ccccc1C	767254845	IQKUAUSQQDXEAF-UHFFFAOYSA-N	306.362	1.418	50	20	DDGD	
CC(C)(C)NCCC(=O)NNC(=O)NCCc1cccs1	930733725	ZWTVSSNSUBHQHI-UHFFFAOYSA-N	312.439	1.399	50	20	DDGD	
CN1CC[C@](O)(CNC(=O)CCCC[C@H]2CCSS2)C1	762723520	UASZBKOBMLCYJY-JSGCOSHPSA-N	318.508	1.883	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)NC2CC2)cc1-c1ccc(F)cc1	930719426	BJVXIEVSERBEOK-UHFFFAOYSA-N	317.324	1.333	50	20	DDGD	
CCO[C@@H](C(=O)NNc1nccc(N(CC)CC)n1)C1CC1	863896811	IJLUIVXUARQNEK-CYBMUJFWSA-N	307.398	1.581	50	20	DDGD	
CN(CC(=O)NNc1ccc(Br)nc1)C1CCC1	863872694	XSLUYBCKFBIQTJ-UHFFFAOYSA-N	313.199	1.772	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)C(=O)Nc1ccc(F)cc1	763569060	VTVZZFOLELQICG-UHFFFAOYSA-N	319.267	1.365	50	20	DDGD	
CCn1cc(-c2n[nH]cc2C(=O)NN[C@H](C)C(F)(F)F)cn1	862317373	GNHCKNBCNINXPN-SSDOTTSWSA-N	316.287	1.478	50	20	DDGD	
CCOCc1cc(C=NNC(=O)c2cn[nH]c2)ccc1OC	863154943	QJVPUYBVBPZKFR-UHFFFAOYSA-N	302.334	1.719	50	20	DDGD	
C=CCNC(=O)COC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	769980417	AFJLHTWRRUOYLU-OPQQBVKSSA-N	316.195	1.786	50	20	DDGD	
Cc1nc([C@@H]2CCOC2)sc1C(=O)NNC(=O)C(C)(C)C	864889059	OBOICCVJTYBHFK-SECBINFHSA-N	311.407	1.763	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H](C)OC1CCCCCC1	760450623	SZTHQTWYJXAQTE-GFCCVEGCSA-N	315.414	1.481	50	20	DDGD	
Cc1cc(CCC(=O)NNC(=O)CCOc2ccccc2)no1	931164203	NPOXMDDTRSOXTI-UHFFFAOYSA-N	317.345	1.532	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccn(-c3ccccc3)n2)n1	766688024	RSERZUGOGAYPIL-UHFFFAOYSA-N	322.372	1.836	50	20	DDGD	
CCCCN(CC)CC(=O)NNC(=O)c1ccc(C#N)cc1	764136304	WGNLAUAEFTZNKW-UHFFFAOYSA-N	302.378	1.441	50	20	DDGD	
C[C@H](NNC(=O)c1cncc(N2CCCC2)n1)C(F)(F)F	869376070	BSAISEXGDJQEJS-QMMMGPOBSA-N	303.288	1.262	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(/C=C(\C#N)C(=O)NC2CC2)c1C	863178169	DWROGBHTVLXTSI-YRNVUSSQSA-N	301.346	1.994	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cc[nH]1	862509020	CTCJOQUAUWQZLH-CYBMUJFWSA-N	320.393	1.655	50	20	DDGD	
COc1ccc2oc(C(=O)NNC(=O)C(C)(C)O)c(C)c2c1	768258976	BZVNKXJLFZSJOI-UHFFFAOYSA-N	306.318	1.282	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=CCCc2c(F)cccc2Cl)N1	863147962	PRTGFUPDMDNXBX-LBPRGKRZSA-N	311.744	1.792	50	20	DDGD	
CCOc1cccc(CCC(=O)NNC(=O)[C@H]2CCCCO2)c1	861852985	MWPBAMQPRWNJOX-OAHLLOKOSA-N	320.389	1.734	50	20	DDGD	
CSC1(C(=O)NNC(=O)c2nc3ccccc3s2)CC1	874913448	DCQRXFZWRREFFZ-UHFFFAOYSA-N	307.400	1.953	50	20	DDGD	
COc1ccnc(NNC(=O)CCc2ccc3c(c2)CCO3)n1	1116245677	NEFXLXDXSRAUJU-UHFFFAOYSA-N	314.345	1.496	50	20	DDGD	
Cc1cccc(NNC(=O)NC[C@@H](C)C(=O)OC(C)(C)C)n1	875704764	NZOYNUHHOJXYAT-SNVBAGLBSA-N	308.382	1.994	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccc(C(F)(F)F)nc1O	1117766668	SXXVHHOHQFXWOK-UHFFFAOYSA-N	317.202	1.492	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccc(C(F)(F)F)cc1)C1CC1	873751392	RLDGNWDIBDSFSB-SNVBAGLBSA-N	302.252	1.296	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cnc(S)[nH]1	776319217	BBURIZMZSCNAHB-ZETCQYMHSA-N	324.337	1.066	50	20	DDGD	
CSC1CCN([C@@H](C)C(=O)NNC(=O)CC(C)C)CC1	879099104	LYMUXQPUPUEENJ-NSHDSACASA-N	301.456	1.396	50	20	DDGD	
O=C(NNc1ncccn1)C(=O)Nc1cccc(OC(F)F)c1	773719784	PPLMZFSWNHRSQF-UHFFFAOYSA-N	323.259	1.160	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NC[C@@]2(C)C[C@H]2Br)no1	1118755440	ZFMYYFHALZBLHR-RDDDGLTNSA-N	316.155	1.211	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1	875100863	WMDSCFJILUBMAZ-CQSZACIVSA-N	320.393	1.563	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C(=O)c1ccc(C)cc1	871595631	DDTOIWYEJPWBLF-UHFFFAOYSA-N	323.418	1.052	50	20	DDGD	
Cc1c(C(=O)NNc2ncnc3[nH]cnc23)cnn1C(C)C	771386959	KAYYLRYOWMZNMG-UHFFFAOYSA-N	300.326	1.196	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@H]2CCO[C@]3(CCSC3)C2)cc[nH]1	875398408	LJHBYALLQGZAMA-DZGCQCFKSA-N	322.434	1.493	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](C)[C@H]1CCCOC1	779967474	JBPSAMRJEJHKIG-STQMWFEESA-N	305.378	1.754	50	20	DDGD	
Cc1nnc(NNC(=O)c2c(F)c(F)cc(F)c2F)nc1O	1116246521	NPVYQLWXZPKFBE-UHFFFAOYSA-N	317.202	1.199	50	20	DDGD	
CN(CC(=O)NNC(=O)Nc1ccccc1)Cc1ccccc1	1116937420	YOQXZYVRPIZNQB-UHFFFAOYSA-N	312.373	1.971	50	20	DDGD	
N#CSCCCNC(=O)c1ccccc1Cn1cncn1	773592965	DETFBIFDTCEDBA-UHFFFAOYSA-N	301.375	1.661	50	20	DDGD	
COc1cc(CNC(=O)NNc2cccc(OC)n2)ccn1	779971794	ZMXRZWAUDZVJGT-UHFFFAOYSA-N	303.322	1.320	50	20	DDGD	
C[C@H](O)c1ncc(C=NNC(=O)COc2ccccc2F)s1	773005042	IDONIDUKYSQREL-VIFPVBQESA-N	323.349	1.865	50	20	DDGD	
Cc1cccc(C)c1CNC(=O)NNC(=O)C1CCOCC1	883520568	DTRGDUVZYVTKQV-UHFFFAOYSA-N	305.378	1.560	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2O)o1	773975938	WVBRLMCUKGNELF-UHFFFAOYSA-N	322.704	1.916	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=CCCc1ccc2c(c1)CCO2	774389425	VZTCOEFPXWSVHY-ZDUSSCGKSA-N	320.389	1.708	50	20	DDGD	
O=C(NC[C@H]1COC2(CCOCC2)O1)NNc1ccccc1	777761759	VTRGZHYAHJKSEF-ZDUSSCGKSA-N	307.350	1.235	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1	771915229	RSMIRUMORLGCPC-BIMULSAOSA-N	322.336	1.418	50	20	DDGD	
O=C(NNC(=O)c1ccccc1OC1CCC1)c1cccnn1	882059102	RYTKZWFUHDAJMM-UHFFFAOYSA-N	312.329	1.483	50	20	DDGD	
C[C@H]1COCCN1C1CCN(S(=O)(=O)CCCCl)CC1	882364059	LEXFJCHIEXDSOZ-LBPRGKRZSA-N	324.874	1.130	50	20	DDGD	
COC(=O)[C@H](C)n1cccc1C=NNC(=O)c1ccc(C)o1	774584973	GGUDLMTYKDROQH-NSHDSACASA-N	303.318	1.887	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCCCl)[C@@H](O)c1ccc(F)cc1	881921744	CKGSEWGYVPALOG-BXKDBHETSA-N	309.790	1.796	50	20	DDGD	
Cn1nc2c(c1NC(=O)NNc1ccc(Cl)nn1)CCCC2	880620142	QAGFHPMXXNRNFM-UHFFFAOYSA-N	321.772	1.891	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(C(F)(F)F)nn1	788297318	LTNQAFHSHJSFMX-LURJTMIESA-N	305.260	1.694	50	20	DDGD	
CC(C)[C@H]1C[C@H](NS(=O)(=O)CBr)CCO1	782478281	AGBBBZZGVXWENO-RKDXNWHRSA-N	300.218	1.462	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C/c1cccc(O[C@H](C)C(=O)O)c1	786044066	FNYMNFWWATXNKM-SEEODLKFSA-N	309.343	1.838	50	20	DDGD	
O=C(NCc1nc2c(s1)CCC2)NNC(=O)C1CCCC1	1121829214	FSGSHVLZQFVBML-UHFFFAOYSA-N	308.407	1.652	50	20	DDGD	
CCOC(=O)c1cnc(C)c(C(=O)NN=c2cc[nH]cc2)c1	780755291	RLJSEITWFSKHGT-UHFFFAOYSA-N	300.318	1.141	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)n1cc(-c2ccc(OC)cc2)nn1	881293356	OAOPTMIFNINQEV-SNVBAGLBSA-N	317.349	1.072	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@@H]1CCCN(CC2CC2)C1	882425462	QHKPGJSUXMLLDE-ZDUSSCGKSA-N	308.875	1.657	50	20	DDGD	
COc1cc(C(=O)NNc2cccnn2)cnc1Br	788526554	MYIBDWSYVIDJMF-UHFFFAOYSA-N	324.138	1.400	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CN3CCN2C[C@@H]3C)ccc1Cl	1124033520	RWOMWHSYJHOYLZ-SMDDNHRTSA-N	308.813	1.480	50	20	DDGD	
CC[C@H]1C(=O)NCCN1C(=O)[C@H](Br)C(C)(C)C	781084981	HEHOIXSLLCIVIN-IUCAKERBSA-N	305.216	1.533	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1ccc(O)cc1O	780995092	IHERPHKBZGWAJI-UHFFFAOYSA-N	314.223	1.664	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)c2cccc(Cl)c2)nc1	789870056	YSFNOJNUZXPZCK-UHFFFAOYSA-N	319.748	1.747	50	20	DDGD	
Cc1nc(C(=O)NNC(=S)NC(C)(C)C)c2ccccn12	899995039	FEDQLBZXLNNJGF-UHFFFAOYSA-N	305.407	1.550	50	20	DDGD	
O=C(Cc1ccccc1O)NNc1ccc(-n2ccnc2)nn1	788177951	MZTIXABZWHEGNV-UHFFFAOYSA-N	310.317	1.054	50	20	DDGD	
CC(C)[C@H](F)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	784145993	YICFWQGBGKYWRO-SKDRFNHKSA-N	300.305	1.735	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncncc1Cl)C(C)(C)CN(C)C	780998384	UBBLJDVHGVVHCQ-SECBINFHSA-N	314.821	1.732	50	20	DDGD	
CO[C@@H]1CN(C(=O)NC[C@@]2(C)C[C@@H]2Br)CCO1	895921538	FALWLRQOWIUVDR-ATZCPNFKSA-N	307.188	1.174	50	20	DDGD	
Cn1nncc1NNC(=O)c1csc(N2CCCCC2)n1	897847384	XTOPMLFQVMQTDU-UHFFFAOYSA-N	307.383	1.019	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCc2cnccn2)c1	793792444	YPEFEAHPDVGRCY-UHFFFAOYSA-N	300.318	1.339	50	20	DDGD	
CN1CCC[C@H]1c1cc(C(=O)NNC(=O)c2ccccc2)n[nH]1	895465150	MXNQCFQEKWFZIU-AWEZNQCLSA-N	313.361	1.251	50	20	DDGD	
CC(C)O[C@@H](C=NNC(=O)C(=O)NC1CC1)c1ccccc1	792944463	SLOCUESDXYLZPN-AWEZNQCLSA-N	303.362	1.533	50	20	DDGD	
COc1cc(NNC(=O)[C@H](O)c2cccnc2)ccc1Cl	790170310	JPMMVPFYIWAEKJ-CYBMUJFWSA-N	307.737	1.920	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)COc1ccc(F)cc1	792808570	GQUMHQOXFVYHLP-YGRLFVJLSA-N	312.341	1.413	50	20	DDGD	
C[S@](=O)c1ccc(C=NNC(=O)c2ccc(N)cc2)cc1	1318933468	LUFLGISQKNIEMZ-NRFANRHFSA-N	301.371	1.770	50	20	DDGD	
O=C(NCCn1cccn1)NNC(=O)c1ccccc1Cl	1318563238	DCQCXLZCTGDEQM-UHFFFAOYSA-N	307.741	1.181	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1(Sc2ccccc2)CC1	1327150038	ITGLPRAWZWGECS-DGCLKSJQSA-N	320.414	1.884	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CSc1nc2ccccc2[nH]1	1324657782	NCOFIRCIWHUGNF-UHFFFAOYSA-N	306.391	1.849	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1	1325313041	LYWSVUKLWZWLRA-BPLDGKMQSA-N	322.453	1.675	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cnc([C@H]2CCCO2)s1	1320288089	SVQJCLNIXIVREQ-MRVPVSSYSA-N	309.326	1.681	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1F)c1cnn2ccncc12	1323106899	YQXQKDNCHLBESQ-UHFFFAOYSA-N	307.235	1.904	50	20	DDGD	
COc1cc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)nn1C	1327947724	BFANJGYSUPGGEI-UHFFFAOYSA-N	313.317	1.027	50	20	DDGD	
Cc1oc(C#N)cc1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1321592328	ROIZUUNUJBZWHU-UHFFFAOYSA-N	313.317	1.136	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2n[nH]c3c2CCCC3)CC[C@H]1C(=O)O	1324253913	NOIQNMYDKPHUNX-GXSJLCMTSA-N	318.377	1.895	50	20	DDGD	
Cc1cccc(CC(=O)NNC(=O)c2n[nH]c3c2CCCC3)c1	1321440527	OXNOKRXELLWRIH-UHFFFAOYSA-N	312.373	1.601	50	20	DDGD	
Cn1cc(-c2ccc(C=NNC(=O)Cc3cc[nH]n3)cc2)cn1	1324929347	ZWQZSQLSUDFOSE-UHFFFAOYSA-N	308.345	1.503	50	20	DDGD	
CC(=O)Nc1ccccc1CNC(=O)NNC(=O)c1ccc[nH]1	1322209649	ILFVETUHPVEVOR-UHFFFAOYSA-N	315.333	1.117	50	20	DDGD	
CC(C)[C@@H]1CCC[C@H](NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)C1	1328129906	AHRGDGIUYVHKKP-MQYQWHSLSA-N	311.426	1.957	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNC(=O)c1ccccc1Cl	1349522768	NNRWYNMNECAODH-UHFFFAOYSA-N	311.769	1.263	50	20	DDGD	
Cc1cccc(NNC(=O)c2ccc(OCC(=O)O)cc2)n1	1600542350	IYWOZPMFLMGKLO-UHFFFAOYSA-N	301.302	1.610	50	20	DDGD	
C[C@@]1(COC(=O)c2coc(C(N)=O)c2)C[C@@H]1Br	1526044079	GINUOUHJEIBSTL-KWQFWETISA-N	302.124	1.709	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1c[nH]nc1-c1cccc(Cl)c1	1602071935	BYKSHTGLPCHOTC-UHFFFAOYSA-N	321.724	1.448	50	20	DDGD	
Cc1cccc(C(=O)NN[C@@H](C(=O)O)c2cccc(C#N)c2)n1	1607839258	BROKYIUIIPMSLU-CQSZACIVSA-N	310.313	1.322	50	20	DDGD	
C[C@H](NC(=O)C1CCCC1)C(=O)NNc1cccc(C(=O)O)c1	1604265141	WSUIGGUQQASAPB-JTQLQIEISA-N	319.361	1.523	50	20	DDGD	
Cc1c(C(=O)NN=C2CCC[C@@H](CCCC(=O)O)C2)nnn1C	1607508682	JWBMHGFARAKXLV-NSHDSACASA-N	321.381	1.654	50	20	DDGD	
O=C(O)c1cccc(C(=O)NNc2cc(F)c(F)c(F)c2)n1	1608929349	ZJMGBLBMMNCGEQ-UHFFFAOYSA-N	311.219	1.954	50	20	DDGD	
O=C(NCCCC1(O)CCC1)NNc1cccc(C(=O)O)c1	1601495390	ZPVBXUZGZAKGJO-UHFFFAOYSA-N	307.350	1.706	50	20	DDGD	
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1cccc(C(=O)O)c1	1605557605	OHWHTZQICYOBBV-NWDGAFQWSA-N	306.318	1.417	50	20	DDGD	
O=C(CCc1ccccc1C(=O)O)NNC(=O)c1ccccn1	1608318496	SUGQYGWZQGVQRF-UHFFFAOYSA-N	313.313	1.174	50	20	DDGD	
Cc1cocc1C(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1600644687	WSKVDNHCOXKBSW-UHFFFAOYSA-N	309.347	1.795	50	20	DDGD	
Nc1ncnc2cc(C(=O)NNc3ccc(C(=O)O)cn3)ccc12	1601223325	XJBROPSVHDMTJQ-UHFFFAOYSA-N	324.300	1.062	50	20	DDGD	
COC(=O)c1cccc([C@H](NNC(=O)CCC(C)C)C(=O)O)c1	1606611410	OCCJZLGTMMIRDZ-AWEZNQCLSA-N	322.361	1.656	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1cc(C)oc1C	1549316433	RXVMPBLODKQXNL-UKRRQHHQSA-N	305.378	1.600	50	20	DDGD	
O=C(NN=C1CC[C@@H]1c1ccccc1)[C@H]1CN2CCC[C@@H]2CO1	1549319699	IVICGXGLRFAXDD-BFYDXBDKSA-N	313.401	1.899	50	20	DDGD	
CNC(=O)[C@@H]1CN(C[C@@H]2[C@H](C)[C@@H]2Cl)C[C@H]1c1cnn(C)c1	1550632262	MQVWNBIIQVSCLW-BQQXIIOZSA-N	310.829	1.055	50	20	DDGD	
Cc1c(NNC(=O)[C@]2(C)C[C@H](N)CCO2)cccc1[N+](=O)[O-]	1579541190	JZZHRZCDQYVPRX-YGRLFVJLSA-N	308.338	1.243	50	20	DDGD	
Cc1cc(Br)cnc1NNC(=O)[C@@H](N)CC(C)C	1574128840	YBBQZAXPLJHDNW-JTQLQIEISA-N	315.215	1.969	50	20	DDGD	
CCCn1ncc(C(=O)NNc2ncccc2C(=O)O)c1C	1589695666	RMSZVZXAAXMEQU-UHFFFAOYSA-N	303.322	1.452	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)NNc1cccc(C(=O)O)c1C	1589072667	OVTPKVXVAZFZLN-AWEZNQCLSA-N	319.361	1.537	50	20	DDGD	
Cc1[nH]c(C#N)cc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1591789009	LCCKJQPYYXVVIY-UHFFFAOYSA-N	308.305	1.132	50	20	DDGD	
C[C@H]1CC(=O)CC[C@@H]1C(=O)NNc1ccc(C(=O)O)cc1F	1594197537	UOQYUKMFBHKUCZ-KWQFWETISA-N	308.309	1.972	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@H]1CC[C@@H](C(=O)O)C1	1594780215	OAWQERREXBDAJY-WDEREUQCSA-N	315.329	1.472	50	20	DDGD	
COc1cccc(NNC(=O)c2c(C)[nH]c(C(=O)O)c2C)n1	1599679853	LTWURUNYAYQKJA-UHFFFAOYSA-N	304.306	1.490	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](CC(=O)O)c1ccc(OC)cc1	1596864985	YRYNZBRBYTXICW-IEZBTEQYSA-N	318.329	1.771	50	20	DDGD	
CO[C@@H]1CCC[C@H](CC(=O)NNc2ccc(C(=O)O)cn2)C1	1599111181	BLLPBMNVLJTFGI-CMPLNLGQSA-N	307.350	1.818	50	20	DDGD	
CCOCC1(C(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1	1590800553	MJIGXDSZZCCITP-UHFFFAOYSA-N	302.338	1.127	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1CNC(=O)NNc1ccc(CC(=O)O)cc1	1599113171	GTBVCIIOWYMZFD-TZMCWYRMSA-N	321.377	1.755	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1cc(C(=O)O)c(C)o1	1776120371	DSVLRHFNFMSPKI-YRNVUSSQSA-N	306.318	1.736	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2ccccc2O)c1	17573508	XSYIUYIXVCLNPG-UHFFFAOYSA-N	300.314	1.541	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=S)Nc1ccccn1	161797506	ORSGEGVULOWJFB-UHFFFAOYSA-N	304.350	1.781	50	20	DDGD	
Cc1cc(C)cc(NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)c1	152783325	JCMWOGCJOXDDRR-CQSZACIVSA-N	311.407	1.507	50	20	DDGD	
CCCOc1cccc(CC(=O)NNC(=O)NCC2CC2)c1	153377051	HQICAZKHBSZMLK-UHFFFAOYSA-N	305.378	1.758	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNc2ncnc3nc[nH]c23)cc1	156247545	CGTNQXKHHZQRGG-UHFFFAOYSA-N	311.305	1.068	50	20	DDGD	
CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)NNc1ccc(Cl)nn1	155342128	LBQCABJZKNGOKF-XROYCOCOSA-N	311.773	1.570	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc([S@](C)=O)cc2)nc1	159590078	SBWWLNOBZOKJBE-OAQYLSRUSA-N	305.359	1.585	50	20	DDGD	
Cn1cc(CNS(=O)(=O)c2ccc(CCCl)cc2)cn1	41160207	ZMKQZVISOGTOAR-UHFFFAOYSA-N	313.810	1.680	50	20	DDGD	
CN(CCN(C)c1ccccc1)C(=O)NNC(=O)C(C)(C)C	109150107	VRXCASZBKKXIDA-UHFFFAOYSA-N	306.410	1.842	50	20	DDGD	
CC(=O)NNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1	51202364	DRQWZQHUNCAXPW-LBPRGKRZSA-N	304.350	1.098	50	20	DDGD	
COc1ccc2oc(C)c(C(=O)NNC(=O)CN(C)C)c2c1	113427308	GAZNNTCOFTZANL-UHFFFAOYSA-N	305.334	1.072	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc(OC(F)F)cc2)cn1	117678893	SKLNTFBEQZURDQ-UHFFFAOYSA-N	310.260	1.096	50	20	DDGD	
COCc1nc(C(=O)NNC(=O)Cc2ccc(F)cc2)cs1	65105391	ZUCYVLHHCWUJGI-UHFFFAOYSA-N	323.349	1.432	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1sccc1-n1cccc1	110758794	RYARDCRVDUYGDD-UHFFFAOYSA-N	315.358	1.645	50	20	DDGD	
N#C[C@@H]1CN(S(=O)(=O)c2ccc(CCl)cc2)CCO1	306059319	RXVVRBPUTUEJTO-LLVKDONJSA-N	300.767	1.338	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Cc2ccoc2)cc1C	119013804	LJXFMZSIQUBEMS-UHFFFAOYSA-N	302.330	1.665	50	20	DDGD	
CCCN(C[C@H](C)CBr)[C@H]1CCS(=O)(=O)C1	248773241	VWYNALKLELIEKI-MNOVXSKESA-N	312.273	1.917	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNC(=O)c1ccccc1OC	67439653	QQBNQULSIXAKLD-ZDUSSCGKSA-N	305.378	1.331	50	20	DDGD	
Cc1ccc(CC(=O)NNc2nc3ccccc3c(=O)n2C)cc1	113186700	RFUXITDZKUWDSZ-UHFFFAOYSA-N	322.368	1.928	50	20	DDGD	
CC(C)[C@@H]1OCCC[C@H]1CNC(=O)NNC(=O)c1ccc[nH]1	176779738	INRDZKJPPQUZLS-AAEUAGOBSA-N	308.382	1.410	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1ccc(-n2ccnc2)cc1	173953296	IWVRIALILGOMSP-UHFFFAOYSA-N	320.316	1.296	50	20	DDGD	
O=C(Cc1ccoc1)NNC(=O)c1cc(-c2ccccc2)n[nH]1	118978135	ZKUXOKTWGKGEFW-UHFFFAOYSA-N	310.313	1.673	50	20	DDGD	
O=C(NNC(=O)c1ccc2[nH]nnc2c1)c1cccc(Cl)c1	28812836	LGPZYAPCNMFSMU-UHFFFAOYSA-N	315.720	1.686	50	20	DDGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NC[C@H](C)O)c1C	179610194	RJYNGYYAMGRWCM-FGDDQOBJSA-N	319.405	1.716	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2F)nn1	175818124	GIZZHBNUSMGJSH-UHFFFAOYSA-N	324.699	1.353	50	20	DDGD	
Cc1ccc(Cl)cc1NC(=O)NNC(=O)C(=O)N1CCCC1	122173029	FTJIHWPSTSPMBH-UHFFFAOYSA-N	324.768	1.424	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)NC2CCCC2)c1	31025994	CNCQUNNLYJCIOJ-UHFFFAOYSA-N	307.350	1.590	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)C(=O)Nc1cccnc1	126330241	OJKTUPGMMDNEAL-UHFFFAOYSA-N	310.235	1.581	50	20	DDGD	
CC(C)(C)n1cc(NC(=O)NNC(=O)Cc2cccnc2)cn1	186245721	HHSFZFSKKYEAIA-UHFFFAOYSA-N	316.365	1.429	50	20	DDGD	
C[C@@H](C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)c1ccccc1	120439395	RZWHPZVEOLIZGT-TZMCWYRMSA-N	310.419	1.282	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)C(=O)Nc1ccccc1F	128239361	MRPBQQRBHPKJBI-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
CCOc1cnc(C(=O)NNC(=O)c2ccc(CC)cc2)cn1	186117871	BELVOHMKUVLKDY-UHFFFAOYSA-N	314.345	1.513	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)COC(C)(C)C	183487915	YDDFXKQAJUYZSS-UHFFFAOYSA-N	308.378	1.590	50	20	DDGD	
CC[C@H](C)[C@H](C)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1	181775595	DLKDMRHPPCFWBS-QWRGUYRKSA-N	316.365	1.106	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@@H]2CCOc3ccccc32)n1	183535398	UOTDKZHQOVRIOC-SECBINFHSA-N	319.752	1.722	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@@H]3CCCO3)cc2C1	32259061	VTXMYYGQCZDQIQ-KOLCDFICSA-N	308.403	1.813	50	20	DDGD	
Cc1cc(C(=O)NNc2nnc(-c3ccccn3)s2)no1	188191510	SJOFPCAJMVTXNW-UHFFFAOYSA-N	302.319	1.653	50	20	DDGD	
Cn1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)cc1=O	125894038	XGENYMBOOTYABJ-UHFFFAOYSA-N	322.708	1.704	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCC(=O)N(C)C)cc1	214382098	QNNYYZSBCHACKG-LCYFTJDESA-N	302.330	1.624	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CN(C)C)cccc1-c1ccccn1	133524915	HQPCRBDBPMHOGH-UHFFFAOYSA-N	312.373	1.380	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1C[C@]12CCc1ccccc12	184366892	BZYDTQYUJBREHH-GUYCJALGSA-N	310.357	1.832	50	20	DDGD	
Cc1nnc(C(=O)NNc2nc(-c3ccccc3)no2)s1	185429521	RLQWSMWGJBXFHW-UHFFFAOYSA-N	302.319	1.653	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(=O)c3ccccc3o2)n1	46363317	JKSLLIMPQBCESJ-UHFFFAOYSA-N	312.285	1.349	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C1(C(=O)OC)CC1)c1ccccc1	131589233	FOZLUKZEKYOAHM-GFCCVEGCSA-N	304.346	1.281	50	20	DDGD	
O=C(NNc1ncccn1)c1cccc(Oc2cnccn2)c1	135367651	KHZDNDMYMHNQOO-UHFFFAOYSA-N	308.301	1.816	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CNC(=O)CC2CCCCC2)o1	84292034	GQEUZWUEJWENGT-UHFFFAOYSA-N	321.377	1.436	50	20	DDGD	
Cc1nn(C)cc1C(=O)NNC(=O)c1ccc(Cl)cc1F	81028935	IGOADAZADBWUEV-UHFFFAOYSA-N	310.716	1.596	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Cc2c(C)n[nH]c2C)cc1	193504008	XJAHDIMSGNPXLJ-UHFFFAOYSA-N	316.361	1.104	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C[C@H]1CCCCO1	86990501	ZPCSCUOELHOEJI-NWDGAFQWSA-N	324.352	1.700	50	20	DDGD	
COCCn1cc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)cn1	194299266	PLELXRGWNATZFZ-JYRVWZFOSA-N	312.329	1.781	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc(F)c(F)c1F	91822159	BBQACYQPVTYTKD-UHFFFAOYSA-N	323.365	1.576	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)NNC(=O)C(C)(C)C)C1	98034353	QLOLEEAVFFJEAF-FRRDWIJNSA-N	312.458	1.729	50	20	DDGD	
O=C(NCCNC(=O)c1ccc(F)cc1)NNc1ccccn1	98033072	PETXKPAMQNIGCO-UHFFFAOYSA-N	317.324	1.277	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccc([N+](=O)[O-])cc2)n1	254347203	AVUVYEMJTXHSBC-UHFFFAOYSA-N	301.306	1.558	50	20	DDGD	
CN1C(=O)C(=NNC(=O)c2ccc(C#N)cc2)c2ccccc21	254372567	QAYLVABYTIKVBI-UHFFFAOYSA-N	304.309	1.669	50	20	DDGD	
CN1C(=O)C(=NNC(=O)c2ccc3c(c2)OCO3)c2ccccc21	254480517	VIHLIIVLEXLMPL-UHFFFAOYSA-N	323.308	1.526	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNC(=O)CC(C)(C)C)nc1C	264002011	AUDAAWKXISYURC-UHFFFAOYSA-N	321.377	1.764	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H]2CSCCS2)n1	267515895	NNKSLZYSPAYKSI-SSDOTTSWSA-N	304.828	1.730	50	20	DDGD	
O=C(NNc1ncccn1)Nc1ccccc1O[C@H]1CCOC1	274861833	UOPMOLXWIKFLRL-NSHDSACASA-N	315.333	1.793	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O	276780802	VCRFOMFITKQBQH-BDAKNGLRSA-N	316.283	1.290	50	20	DDGD	
CCOC(CCNC(=O)NNc1cccc(OC)n1)OCC	276266525	RTHTUQLLPXRGOQ-UHFFFAOYSA-N	312.370	1.506	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H]2CCO[C@@H](C)C2)nc1C	272149155	FVPRVHDVXRGQNV-GXSJLCMTSA-N	322.365	1.220	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@H](NC(=O)NNC(=O)c2ccccc2O)C1(C)C	271962352	ZKTMYGBDHAOZTB-JIMOISOXSA-N	321.377	1.396	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NOC[C@@H]1CCOC1	276284208	LOGDLRJZLXWNIT-LLVKDONJSA-N	308.338	1.299	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCC2(OC)CCCCC2)n1	275182133	ZCKAFQSATSPXMY-UHFFFAOYSA-N	323.397	1.769	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)NCCC1CC1	270687876	VAPDRLKBLMYEKV-UHFFFAOYSA-N	309.391	1.615	50	20	DDGD	
CCC[C@@H]1C[C@H](C(=O)NNc2ccc(C(=O)OC)cn2)CCO1	272661831	HTRDCWSBEDFHLA-DGCLKSJQSA-N	321.377	1.907	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1	272630682	BDLYNDVNDUFDLD-UHFFFAOYSA-N	323.353	1.479	50	20	DDGD	
CNC(=O)c1cccc(CNC(=O)NCCSSC)c1	284250132	PVVFCVVJMHWJNH-UHFFFAOYSA-N	313.448	1.857	50	20	DDGD	
CSSCCNC(=O)c1ccc(S(C)(=O)=O)cc1	284257503	XKVOTVSVRQOFSO-UHFFFAOYSA-N	305.446	1.831	50	20	DDGD	
C[C@@H]1CC(=O)NCCN1C(=O)[C@H](Br)C(C)(C)C	372108791	OKCNNRPPXHDKAT-SCZZXKLOSA-N	305.216	1.533	50	20	DDGD	
Cc1cccc2c1OC[C@H](NS(=O)(=O)CBr)C2	289484119	JCFQFFHNYYDAFW-SNVBAGLBSA-N	320.208	1.570	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NNc1cncc(Cl)n1	281605867	RVYQACKXKSRLFR-CABZTGNLSA-N	311.773	1.737	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](c1ccccc1)N1CCSCC1	286295422	JNZUGEFMTBESRJ-ZDUSSCGKSA-N	323.418	1.506	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ccc(Cl)nc2)sn1	807013845	IDJUYYLUIPNWEZ-UHFFFAOYSA-N	311.754	1.582	50	20	DDGD	
CC(C)(C(=O)NNc1ccncn1)c1ccc2c(c1)OCO2	295453426	LGYFHLLSIWIMBM-UHFFFAOYSA-N	300.318	1.626	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNC(=O)c1ccc(Cl)cc1O	806536220	IILAMJUXLGFMKN-UHFFFAOYSA-N	314.725	1.148	50	20	DDGD	
Cc1nnc(NNC(=O)c2ccc(C(F)(F)F)s2)nc1O	806364881	KTOQGXSWYVXBLU-UHFFFAOYSA-N	319.268	1.723	50	20	DDGD	
Cc1cn2c(=O)c(C(=O)NNc3cccc(F)n3)cnc2s1	804767029	VHSDSVHAFQYQDR-UHFFFAOYSA-N	319.321	1.355	50	20	DDGD	
CCCCN(C)C[C@@H](C)NC(=O)NNC(=O)c1cccc(C)n1	292291052	HILVQSNEODEDPR-CYBMUJFWSA-N	321.425	1.454	50	20	DDGD	
CC[C@@H](C)[C@H](C)NC(=O)NNc1ccc(-n2ccnc2)nn1	804984250	DEBNGAGWPXZWGM-MNOVXSKESA-N	303.370	1.723	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNC(=O)N=c1cc[nH]cc1	802031662	KHEUXOOFJMCQDZ-SECBINFHSA-N	316.365	1.190	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1O[C@@H](C)C[C@H]1C	800320428	AFYQUSKNJFVAMR-ISTVAULSSA-N	316.361	1.217	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc(Cl)nc1Cl	297786158	QYMMPNUQWXZRTK-QMMMGPOBSA-N	318.160	1.719	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCOc2cc(OC)ccc2C1	802249520	LXWSXPNXOGWHOK-QBFSEMIESA-N	302.330	1.860	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)[C@@H](CC)c1ccccc1)OC	290837401	BXOVQRIHDKUGMU-KBPBESRZSA-N	307.394	1.936	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CCCO2)ccc1N(C)C	292714327	RSAGNJZCAXHCOE-ZDUSSCGKSA-N	306.366	1.393	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=O)c2ccccc2OC)o1	294235952	XZHHKAYLSILBPE-UHFFFAOYSA-N	303.318	1.629	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@@H]1CCC(=O)c2ccccc21	806537500	QRIGWNZULPNKDK-SNVBAGLBSA-N	314.263	1.847	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)COc1ccc(C)cc1)C(C)C	298014457	PCPHFKWWAFBCET-CQSZACIVSA-N	303.362	1.362	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ncccc2F)ccc1F	807302470	WDSXSHRALZOJIX-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@H]2CCCSC2)n1	810560811	NBUGDDQSJFOYSK-NSHDSACASA-N	309.439	1.909	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc2c(C)nn(C)c2c1	812989429	GWBGGLOWKVAHCL-UHFFFAOYSA-N	305.338	1.071	50	20	DDGD	
CC(=O)Nc1ccc(S[C@@H](C)C(=O)NNc2nc[nH]n2)cc1	816632089	SMSFJDRRMXJBBQ-QMMMGPOBSA-N	320.378	1.387	50	20	DDGD	
CCOc1ccc(NNC(=O)C(=O)Nc2cccc(C)n2)cc1	815815104	LLYLSVJPTUMWDJ-UHFFFAOYSA-N	314.345	1.871	50	20	DDGD	
O=C(NN=C1COc2cc(F)ccc21)c1ccc(O)c(O)c1	814920487	CUSDGQKYCXCHNE-UHFFFAOYSA-N	302.261	1.763	50	20	DDGD	
COc1ccc(SC)c(OC)c1C(=O)NNC(=O)CC1CC1	819122520	CPQKTBKUFJHCKI-UHFFFAOYSA-N	324.402	1.987	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NCCSSC)nc1	816602908	RHBXOSOZOTZPHR-UHFFFAOYSA-N	300.405	1.999	50	20	DDGD	
Cn1ncc(C=NNC(=O)c2ccc3c(c2)OCCO3)c1Cl	814788770	JWKRAUXIQBFIQC-UHFFFAOYSA-N	320.736	1.609	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)c1cc(O)nc(C2CC2)n1	816814195	KVBLNEQHNGXNAI-UHFFFAOYSA-N	316.292	1.274	50	20	DDGD	
CC(C)(C)OC(=O)NC1(C(=O)NNc2ncccn2)CCCC1	727125267	CLDPVNZXNDPJGI-UHFFFAOYSA-N	321.381	1.757	50	20	DDGD	
Cc1ncc2n1CC[C@@H](C(=O)NNc1nc3ccccc3[nH]1)C2	810794095	OVQISZGMCIJORG-LLVKDONJSA-N	310.361	1.774	50	20	DDGD	
C=C(C)C(C)(C)C(=O)NNC(=O)CNc1cccc(OC)c1	819839497	KXEUJNVOBDMFIC-UHFFFAOYSA-N	305.378	1.857	50	20	DDGD	
COc1ccc(C=NNC(=O)Cc2nc(C)cs2)cc1O	725855714	CQXUKLLZIZDYHT-UHFFFAOYSA-N	305.359	1.859	50	20	DDGD	
Cc1cn2ccc(NC(=O)NNC(=O)[C@@H]3CCCCO3)cc2n1	825922052	GGRPAFZHMPZVCY-LBPRGKRZSA-N	317.349	1.365	50	20	DDGD	
CN1CCC(NC(=S)NN(C)C(=O)OC(C)(C)C)CC1	496097342	DAQLYBYNJMQPPD-UHFFFAOYSA-N	302.444	1.327	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cccc(Br)c1F	823927663	CQLVQDPEIPUXPW-ZETCQYMHSA-N	305.147	1.546	50	20	DDGD	
CO[C@H](C)C(=O)Nc1cccc(NC(=O)NN(C)C2CC2)c1	824139818	XOTBGOURLANNSM-SNVBAGLBSA-N	306.366	1.791	50	20	DDGD	
CC(C)C[C@@]1(CO)CCCN1C(=O)/C(C#N)=C/c1cnn(C)c1	491103742	LUCAGLOTRXXYFO-SXKJYUOZSA-N	316.405	1.727	50	20	DDGD	
CCSc1ccc([C@H](C)NCc2ccc(B(O)O)o2)cc1	585021468	AGZRKZKIAFWNSH-NSHDSACASA-N	305.208	1.922	50	20	DDGD	
Cc1cnc([C@H](NC(=O)c2cccc(B(O)O)c2)C2CC2)s1	584953878	YOQXEZAOPHRAOW-CYBMUJFWSA-N	316.191	1.012	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)CC1(O)CCC1	823128890	KCTSFEATJFWEFQ-UHFFFAOYSA-N	301.346	1.094	50	20	DDGD	
Cc1ccn(CC(=O)NNc2ccc(C(F)(F)F)nn2)n1	827316896	KZTMVIWSSGQQJO-UHFFFAOYSA-N	300.244	1.144	50	20	DDGD	
N#Cc1cccc(C(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)c1	728785188	YEGUYKXYDLSQPT-UHFFFAOYSA-N	310.269	1.936	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(F)c(NC(=O)OC)c1	494658106	DPYIITRYIDBHCE-UHFFFAOYSA-N	314.273	1.787	50	20	DDGD	
Cc1ccc(-n2ncc(C(=O)NN(C)[C@@H](C)CO)c2C)cc1	823977090	OATYRZHGNKHAFM-LBPRGKRZSA-N	302.378	1.447	50	20	DDGD	
Cc1cc(C(=O)NN(C)[C@@H](C)CO)cnc1Br	823384323	IFBNGBTUMMCBAX-QMMMGPOBSA-N	302.172	1.110	50	20	DDGD	
CC[C@H](Cc1cccc(C)c1)C(=O)NNC(=O)c1cc[nH]n1	824400893	HEFJLDMPTVOAOX-CYBMUJFWSA-N	300.362	1.748	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(Br)ccc1F	823837955	JWQFWYMPAUEPFL-UHFFFAOYSA-N	305.147	1.547	50	20	DDGD	
Cn1cccc1C(=O)NN=Cc1cc(-c2nn[nH]n2)cs1	822689585	NHYFIPKTRYRMDI-UHFFFAOYSA-N	301.335	1.031	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)N[C@@H]1C[C@H]1C1CCC1	823885318	AVOYUJPGIXXGFK-WCQYABFASA-N	323.418	1.905	50	20	DDGD	
COc1ncc(C(=O)NN=c2sc3ccccc3n2C)cn1	733909017	RGCMBSSWUQIDSH-UHFFFAOYSA-N	315.358	1.284	50	20	DDGD	
O=C(Cc1coc2cc3c(cc12)CCC3)N1CC[C@@H](B(O)O)C1	585073618	CWVQCMDPZYEVHM-CQSZACIVSA-N	313.162	1.539	50	20	DDGD	
CCn1cc(C=NNC(=O)c2ccnc(N(C)C)c2)c(C)n1	901186521	YTKDJYRBDKPICI-UHFFFAOYSA-N	300.366	1.436	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CC[C@H]2CCCCO2)c1O	732276968	YNAUXXLNZXLUDN-LLVKDONJSA-N	322.361	1.511	50	20	DDGD	
CC(C)(C)OC(=O)NCC1(C(=O)NNc2cccc(F)n2)CC1	495633577	MHVFBFSTBRZPRV-UHFFFAOYSA-N	324.356	1.969	50	20	DDGD	
COc1cc([C@@H](C)NCc2ccc(B(O)O)cc2F)ccc1F	585031515	GEDCTQXNGPZIRH-SNVBAGLBSA-N	321.132	1.504	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](CO)Cc1ccc(C)c(C)c1	491005955	CSSFRDKTBDXATR-QZFKAFNDSA-N	302.374	1.767	50	20	DDGD	
O=C(/C=C\[C@H]1CCOC1)NNC(=O)NCCc1cccs1	493788027	LKVWQRVMVYNRNL-BYCRGOAPSA-N	309.391	1.214	50	20	DDGD	
O=C(c1ccc(SC(F)(F)F)cc1)N1CC[C@H](B(O)O)C1	585070437	ZYPKJEYTGNZQPD-VIFPVBQESA-N	319.113	1.987	50	20	DDGD	
C/C(=C(/F)C(=O)NNc1ccc(-n2ccnc2)nn1)C1CC1	908179928	DEGYQMPYEUVFLM-LCYFTJDESA-N	302.313	1.759	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)COc1cccc(C)c1)C(F)F	836195431	YQJKYPXMIKVRSZ-LLVKDONJSA-N	315.320	1.748	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)cc1)c1nc(C(C)(C)C)cs1	585021710	CBQWSRZKZWTIGM-NSHDSACASA-N	318.251	1.971	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)OCC(F)(F)F)C[C@H]1Br	912596852	JDLKNZDBWPFGPE-CLZZGJSISA-N	319.077	1.480	50	20	DDGD	
N#CCN(CC(=O)O)S(=O)(=O)c1ccc(CCCl)cc1	739085798	KTBRYSMLWKNZDL-UHFFFAOYSA-N	316.766	1.067	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NC[C@@H](C)SC)cc1	836370627	AKSGMTGNCHKUEI-SECBINFHSA-N	312.395	1.782	50	20	DDGD	
CCc1c(NCc2cccc(B(O)O)c2)cnn1CCC(C)C	585038216	WMVJJIXKBKSYOH-UHFFFAOYSA-N	315.226	1.784	50	20	DDGD	
O=C(c1coc(-c2c(F)cccc2F)n1)N1CC[C@H](B(O)O)C1	585063647	DVAMDMUZMSRRME-QMMMGPOBSA-N	322.076	1.309	50	20	DDGD	
CC[C@@H](C)n1nc(C(=O)NNC(=O)[C@@H]2CCCCO2)cc1C	833243777	XJZNGLKQMYFJLR-MFKMUULPSA-N	308.382	1.493	50	20	DDGD	
O=C(NNc1ccc(Br)cc1)C1(n2cnnn2)CC1	830772129	ZGJLEQKQULIJBT-UHFFFAOYSA-N	323.154	1.068	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1NC(=O)NNC(=O)c1cccc(N(C)C)c1	838761477	RJUMXEXOLPGWLW-UONOGXRCSA-N	304.394	1.741	50	20	DDGD	
O=C(NN=C1CCC[C@H](C2CC2)C1)N[C@H]1CCS(=O)(=O)C1	737430729	ZRGNWPGRJJVWDI-AAEUAGOBSA-N	313.423	1.429	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CC(C)(C)C[C@H]2C)cc1	839661059	RUQWTGSRFXCMRD-CYBMUJFWSA-N	303.406	1.876	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cnc2c(F)cccc2c1	833236083	PGLKIMKBSXJKRY-ZDUSSCGKSA-N	317.320	1.704	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCc2cc(F)c(F)c(F)c21	834973830	PCFKXQVSMIICOF-UHFFFAOYSA-N	315.251	1.226	50	20	DDGD	
O=C(NN=C1CCn2cccc21)c1cccc(-c2nn[nH]n2)c1	738129788	XNEXSKQARCASHV-UHFFFAOYSA-N	307.317	1.206	50	20	DDGD	
CC(Cc1cnccn1)=NNC(=O)[C@H]1COc2ccccc2O1	834918288	RRLRFVMCSYBDFZ-OAHLLOKOSA-N	312.329	1.351	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CN2CCC(C)CC2)ccc1F	837035512	BSGQGYAJBVRSEY-UHFFFAOYSA-N	323.368	1.787	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CCc2c(C)n[nH]c2C)n1	748335662	PWYHOPFUWIUSJT-UHFFFAOYSA-N	308.773	1.854	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1ccc(C(=O)O)c(F)c1	833093311	ASNXNMDTHWDQRH-UHFFFAOYSA-N	308.309	1.865	50	20	DDGD	
Cc1cc2ccccc2n1CC(=O)NNc1nccn(C)c1=O	747942468	WYAPEKZEYJVFPA-UHFFFAOYSA-N	311.345	1.187	50	20	DDGD	
C=CCOc1ccccc1C(=O)NNc1ccnc(N(C)C)n1	740108342	WXRVDXTZTHVDNB-UHFFFAOYSA-N	313.361	1.864	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cnc(-c2ccccc2Cl)nc1	910140719	LOVSKAAADFFJHC-SNVBAGLBSA-N	320.780	1.754	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C1CCN(Cc2ccccc2)C1=O	842551231	CFPOUUGRNYWJCZ-JSGCOSHPSA-N	315.373	1.316	50	20	DDGD	
CN(C)c1noc(CCC(=O)NNc2cccnc2Cl)n1	840477443	WWQXMNBNAWRHSI-UHFFFAOYSA-N	310.745	1.260	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc3c(c2)OCO3)n1	747982173	UBBGYDJCMRDDPB-UHFFFAOYSA-N	306.709	1.924	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1c(Br)cnn1C	842558601	HAGAFTVMQIWAAL-HTQZYQBOSA-N	315.171	1.058	50	20	DDGD	
C[C@@H]1CN(C[C@@H](C)C(=O)NN=Cc2ccn(C)c2)C[C@@H](C)O1	749857580	BVGFIWFPVIVORL-MGPQQGTHSA-N	306.410	1.221	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1	841408968	OWPXVOJNRHWBSF-VHSXEESVSA-N	302.371	1.646	50	20	DDGD	
Cc1ccc2oc(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)cc2c1	843645720	NZSZJJDGLZOAHD-JQWIXIFHSA-N	302.330	1.927	50	20	DDGD	
COc1ccc(NCC(=O)NN=Cc2c(C)noc2C)cc1	915916095	JEJKHWKGGZRPKR-UHFFFAOYSA-N	302.334	1.862	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@H]1CCc2ncncc2C1	843860758	FBYDYPWSSOHLMJ-QMMMGPOBSA-N	304.741	1.168	50	20	DDGD	
C#CCCCNC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	743693316	PVYTUCINSXOLOH-UHFFFAOYSA-N	311.345	1.230	50	20	DDGD	
Cc1cccc2c(CC(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)c[nH]c12	843654174	ZQUSHLIYEOOFSQ-DGCLKSJQSA-N	315.373	1.591	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=C1CCOc2c(F)cc(F)cc21	842554529	JLFNQIDLVLQWFE-PSASIEDQSA-N	310.300	1.993	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NC[C@@H]2CC[C@@H](C)O2)cc1	845251225	CLMJDSCOIRJTQC-RISCZKNCSA-N	321.377	1.596	50	20	DDGD	
Cn1nc(C(=O)NN=Cc2ccc(C#N)o2)c2ccccc2c1=O	743427494	VYOSPNOJTGVMRW-UHFFFAOYSA-N	321.296	1.162	50	20	DDGD	
CC(C)Cn1ncc2cc(C(=O)NNC(=O)C(C)C)cnc21	748212840	UUXLGDDQAIWUMG-UHFFFAOYSA-N	303.366	1.504	50	20	DDGD	
COc1cc(F)c(C=NNC(=O)[C@@H]2CCO[C@H]2C)cc1OC	844602947	ZMILSZKEAJDWTG-GXSJLCMTSA-N	310.325	1.718	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)CCCn1ccnc1	741284543	LECXWQUXTFTMMJ-UHFFFAOYSA-N	322.390	1.210	50	20	DDGD	
C[C@@H]1CC=C(C(=O)NNc2ccccc2S(N)(=O)=O)CC1	842259399	XNQJIDKUOYBBLI-SNVBAGLBSA-N	309.391	1.524	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CCCN)nn1C1CCCCC1	841244962	KKEIYMHFYYPCJS-UHFFFAOYSA-N	322.413	1.588	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cc(Cl)ccc1-n1cncn1	843767528	IRCPXRCCGJQQSS-UHFFFAOYSA-N	321.768	1.728	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cc1cccc(C(F)F)c1	843653030	CZFNZZCIINOERQ-BXKDBHETSA-N	312.316	1.739	50	20	DDGD	
COc1ccc(Br)cc1C(=O)NNC(=O)C(C)C	741662850	VORQNNQTINWVGH-UHFFFAOYSA-N	315.167	1.875	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(Cl)c(F)c1	748256460	BIBRJOJBZVHHJF-VIFPVBQESA-N	302.733	1.981	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H](C)Cc1ccccc1F	843650559	DPXZACJMKCAJKG-NTZNESFSSA-N	308.353	1.577	50	20	DDGD	
O=C(NNc1ccc(Br)cc1Cl)c1nc[nH]n1	748776081	LTDRVSSUCJPDGM-UHFFFAOYSA-N	316.546	1.978	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)OCC(=O)NNC(=O)c1ccccc1	842121274	QHBPCIQTNPYFFR-CYBMUJFWSA-N	322.361	1.052	50	20	DDGD	
NC(=O)C1(C(=O)NNc2ccccc2C(F)(F)F)CCC1	747907519	PFRSIUNYLTZAJV-UHFFFAOYSA-N	301.268	1.804	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@@H](C(=O)O)C(C)C	848450517	GDNQFGNIPWVLLP-LLVKDONJSA-N	315.801	1.825	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(O)c(Cl)c1	748252424	DEFFLKAJPHJFKN-VIFPVBQESA-N	300.742	1.547	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1cc([N+](=O)[O-])ccc1O	842560737	HMJCIPUNGRSXEW-KOLCDFICSA-N	307.306	1.566	50	20	DDGD	
O=C(NN=C1C(=O)Nc2c1ccc(O)c2F)NC1CCCCC1	841606336	DOXHROVBOZGWKS-UHFFFAOYSA-N	320.324	1.819	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	751263983	SBYDBCSNXKIICN-UHFFFAOYSA-N	321.742	1.214	50	20	DDGD	
CC(=O)N[C@H](C(=O)NC[C@@]1(C)C[C@H]1Br)C(C)(C)C	857386251	SEVBVUGQQJIJAZ-GIPNMCIBSA-N	319.243	1.827	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Cn1nccc1C)c1ccccc1	859330595	YTHUESCHVFABRH-AWEZNQCLSA-N	300.362	1.533	50	20	DDGD	
CCCn1nccc1C(=O)NNC(=O)COc1ccc(F)cc1	854216271	XKQPRLYELIQLIB-UHFFFAOYSA-N	320.324	1.272	50	20	DDGD	
CCO[C@@H](C)c1ncc(C(=O)NNC(=O)c2cc[nH]n2)s1	855358235	CJXAODMYHYQMNH-ZETCQYMHSA-N	309.351	1.039	50	20	DDGD	
O=C(NNC(=O)c1cnn(-c2ccccc2)c1)Nc1ccon1	757855115	ABNRSBQPOKXLRX-UHFFFAOYSA-N	312.289	1.327	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1	854164818	BDMLRRHUZYHPMD-KYZUINATSA-N	301.343	1.067	50	20	DDGD	
C[C@]1(CN2C(=O)N[C@@H](c3cccnc3)C2=O)C[C@@H]1Br	857227490	OEOUIPMJSWVLPK-OUJBWJOFSA-N	324.178	1.848	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC(CO)CC2)C[C@@H]1Br	856951364	UPQLNGUBSJZGKZ-CMPLNLGQSA-N	305.216	1.574	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc2c(c1)CCCC(=O)N2	921038289	OVIMLTHFFKSAPO-UHFFFAOYSA-N	304.350	1.315	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Cn1nc(C(F)F)cc1C(F)F	929793741	RHIKZBBJWFBTCY-UHFFFAOYSA-N	324.278	1.952	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)s1)C(=O)Nc1ccccn1	758827573	KQAIXEOHUKYVTK-UHFFFAOYSA-N	324.749	1.196	50	20	DDGD	
C[C@@H]1CN(C)C(=O)CN1C(=O)NC[C@@]1(C)C[C@@H]1Br	856902157	DPDKWQQFIJNPOI-VDDIYKPWSA-N	318.215	1.032	50	20	DDGD	
C#C[C@H](CC)NC(=O)NNC(=O)COc1cc(C)cc(C)c1	854069812	ZYBUUIPLAWIQJZ-CYBMUJFWSA-N	303.362	1.424	50	20	DDGD	
COc1c(Cl)cccc1NC(=O)NNC(=O)Cc1cc[nH]n1	756203597	KNOBLSNKNBESGO-UHFFFAOYSA-N	323.740	1.467	50	20	DDGD	
COc1ccc(CN2CCC(=NNC(=O)C(C)C)C2=O)cc1	853273930	WQSZAXYBMKLWHL-UHFFFAOYSA-N	303.362	1.556	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2[nH]cnc2C)o1	755674730	SAMDFVZAWHOBOW-UHFFFAOYSA-N	303.366	1.917	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cccn2cc(C(F)(F)F)nc12	854408828	APANJOUURPQLGR-UHFFFAOYSA-N	316.239	1.696	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccc(OC(F)F)c(Cl)c1	755409153	RPQZJVHXMSPVSH-UHFFFAOYSA-N	309.656	1.086	50	20	DDGD	
CC(C)[C@H](NC(=O)NNc1ncc(Cl)cn1)c1nncn1C	856899317	BRAZHMRDENEAKW-VIFPVBQESA-N	324.776	1.282	50	20	DDGD	
O=S(=O)(NCCN1CCC1)c1ccc(CCCl)cc1	697400402	CDALSINYEALTGT-UHFFFAOYSA-N	302.827	1.452	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)OCC(F)(F)F)cc1	856024755	AARMXQYUZNXICS-UHFFFAOYSA-N	304.224	1.823	50	20	DDGD	
Cc1cc(=O)c(C(=O)NN[C@H](C)C(F)(F)F)cn1C1CC1	862319655	JNTOJBPXXUZDIC-MRVPVSSYSA-N	303.284	1.677	50	20	DDGD	
COCCOCC(=O)NNC(=O)Cc1ccc2ccccc2c1	869911398	CTEQGEQFZXDOCO-UHFFFAOYSA-N	316.357	1.193	50	20	DDGD	
CC(C)Cc1ccc(CC(=O)NNC(=O)c2cn[nH]c2)cc1	862473493	SLCWTVMAOVXOCT-UHFFFAOYSA-N	300.362	1.612	50	20	DDGD	
CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@]1(C)C[C@H]1Br	862259148	ZCPMWJGQFFHGGW-NQBHXWOUSA-N	319.243	1.827	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc2c(c1)C[C@@H](C)O2	933141113	IZZUWGIHSPINFG-NRUUGDAUSA-N	319.361	1.588	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1nc2ncccc2s1	865375655	VSJVFGFPMSZLEW-ZETCQYMHSA-N	310.404	1.729	50	20	DDGD	
C/C(=C/C1CCC(C)CC1)C(=O)NNC(=O)c1cnn(C)c1	865936146	GRFZTGQXRJULMT-WQLSENKSSA-N	304.394	1.954	50	20	DDGD	
O=C1c2ccccc2CN1NS(=O)(=O)CCCCCl	867382359	QTIKCBWSVXTLIJ-UHFFFAOYSA-N	302.783	1.496	50	20	DDGD	
CC(C)(C)C(=O)Nc1nccnc1C(=O)N1CC=C(C#N)CC1	760010175	WEIFCXGWHCUCEM-UHFFFAOYSA-N	313.361	1.757	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(OC2CCC2)c(F)c1	763441461	UNZSQQULTOBVOS-UHFFFAOYSA-N	323.324	1.253	50	20	DDGD	
O=C(NCc1ccc2c(c1)COC2)NNC(=O)c1ccccc1	769963359	AJALVXCGFZTIQO-UHFFFAOYSA-N	311.341	1.861	50	20	DDGD	
CC(C)OC(=O)[C@@H](C)N(C)S(=O)(=O)CC(C)(C)CCl	866959909	HBBYELBTZAMLKA-SNVBAGLBSA-N	313.847	1.853	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H](O)[C@H]2CCCC[C@@H]21)c1ccccc1	868003901	IGHRXQFRUJMQJO-KKUMJFAQSA-N	317.389	1.666	50	20	DDGD	
CCC[C@H]1C(=O)NCCN1S(=O)(=O)CC(C)(C)CCl	867034053	QPQYXNHDTSBZSY-JTQLQIEISA-N	310.847	1.182	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)Cc2ccccc2C)n[nH]1	860480357	KMVIWOKPEFRSKZ-LLVKDONJSA-N	300.362	1.666	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cccc([N+](=O)[O-])c1	763484302	GVHAECFZVAKAQW-UHFFFAOYSA-N	304.266	1.542	50	20	DDGD	
Cc1ccnc(NNC(=O)c2cn(C)c(=O)c3ccccc23)c1	760849716	HEPJZNABYAFFNF-UHFFFAOYSA-N	308.341	1.999	50	20	DDGD	
CCN(C)c1ccc(C(C)=NNC(=O)CS(C)(=O)=O)cc1	863187224	CPYWMDLRLNTUIH-UHFFFAOYSA-N	311.407	1.028	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cc(F)c(N(C)C)cc1F	863176410	QDSJEMNWYFCMAH-IZZDOVSWSA-N	309.316	1.700	50	20	DDGD	
COC[C@H](NC(=O)[C@@H](Br)C(C)(C)C)C(=O)OC	768391498	WRFKHWJRPKTDJY-JGVFFNPUSA-N	310.188	1.100	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)c2cccc(OC)c2O)c(C)n1	863861333	RELCPEQGOGOVAP-UHFFFAOYSA-N	318.333	1.000	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](CO)CC(F)F	760680610	WJKUXUUFOFYDCY-SECBINFHSA-N	309.744	1.485	50	20	DDGD	
O=C(NNc1cncc(Br)c1)[C@@H]1CCCCO1	1116395283	IHTOFRRIJRSGFM-JTQLQIEISA-N	300.156	1.856	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)c2c[nH]nc2C)[C@@H](C)C1	761267169	ORYALRDIZSYPKZ-GXSJLCMTSA-N	306.366	1.803	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccncc1Br	760911750	PVLOIWJRRISXBS-UHFFFAOYSA-N	312.102	1.530	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCc2cc(F)ccc21	1118773496	MKWDZRAOMNFDOA-BHYNMZESSA-N	306.337	1.428	50	20	DDGD	
CCOCCCC(=O)NNC(=S)Nc1ccc(OC)nc1	874954321	RWOOJGOSVWGZGT-UHFFFAOYSA-N	312.395	1.225	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCCCCC1)c1cn(C)cn1	872336767	LNEFUXBFBSXVKD-CYBMUJFWSA-N	305.426	1.772	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(Cl)c[nH]1	771962769	IEPFKWRSXXZBPA-QMMMGPOBSA-N	315.757	1.407	50	20	DDGD	
COC[C@H](C)C(C)=NNC(=O)CSc1nc(C)cc(C)n1	777877043	FIFOQMOKAPAOOT-VIFPVBQESA-N	310.423	1.960	50	20	DDGD	
CC[C@H](C)CCNC(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1118818721	QTXLUWPOMUMOCU-CWSCBRNRSA-N	319.243	1.829	50	20	DDGD	
Cc1onc(-c2cccnc2)c1C(=O)NNc1ncncc1F	1117749448	IKVURELLGFFJSF-UHFFFAOYSA-N	314.280	1.731	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc(NC(=O)N(C)C)c1C	879435760	SCGNDMRLNSPOOD-UHFFFAOYSA-N	323.397	1.703	50	20	DDGD	
O=C(CCl)Nc1cccc(N2CCS(=O)(=O)CC2)c1	1116433733	DHIGAGPLSBFLJL-UHFFFAOYSA-N	302.783	1.099	50	20	DDGD	
CC[C@@H]1CCCCC1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	779770974	NNDFPYLLKYDAJV-GHMZBOCLSA-N	301.412	1.429	50	20	DDGD	
O=C1NCC[C@]1(C(=O)NNc1ccc(F)cn1)C1CCCC1	874646991	KRRKXMZCWCWFIC-HNNXBMFYSA-N	306.341	1.360	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21)c1ccc(Cl)cc1F	779970410	HKHFWKHPAVGYLF-YUSALJHKSA-N	312.728	1.665	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)C1(Br)CC1	874447572	FXVROFMVHLIHMG-UHFFFAOYSA-N	315.142	1.443	50	20	DDGD	
CN(C)C(=O)c1ccnc(NC(=O)NCC(Cl)Cl)c1	879169671	OSRCIOVUZLDQJR-UHFFFAOYSA-N	305.165	1.709	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1	875371845	SMQYREDYQFQCIU-GXTWGEPZSA-N	320.393	1.562	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)C1=O	773467192	JJIJELWOMQACNY-MRVPVSSYSA-N	312.713	1.170	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1ccc2nc(O)[nH]c2c1	774769125	DUEFBUJKJQSCLO-UHFFFAOYSA-N	320.312	1.969	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn(C(C)C)c2)cc1O	882049950	KAQGXAARRUCKEV-UHFFFAOYSA-N	302.334	1.553	50	20	DDGD	
C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNc1cccc(F)c1Cl	1123839738	NOQDVGYBFLAAAU-BXKDBHETSA-N	312.776	1.311	50	20	DDGD	
CCn1c(NNC(=O)[C@@](C)(O)C(C)C)nc2ccccc2c1=O	771122085	BRPLBKBLPHPECP-INIZCTEOSA-N	318.377	1.267	50	20	DDGD	
CN(NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(N)=O	778412697	VWMFHKYDBXGSJM-UHFFFAOYSA-N	306.200	1.269	50	20	DDGD	
C[C@@H](NCC(=O)NNC(=O)c1ccccc1)c1cccc(C#N)c1	775336015	XPYQLYFXFLOZSP-CYBMUJFWSA-N	322.368	1.670	50	20	DDGD	
COCCNC(=O)c1cn(/C(Cl)=C\CBr)nn1	881310932	TVGSWAPUQHUYAA-WAPJZHGLSA-N	323.578	1.086	50	20	DDGD	
O=C(NN=Cc1ccc(OC(F)(F)C(=O)O)cc1)C(F)F	782235891	LZGRGGSIPSCBLI-UHFFFAOYSA-N	308.187	1.458	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cc(Cl)cc2c1OCC2	782908983	YILJWDWNJDTMBS-UHFFFAOYSA-N	311.725	1.081	50	20	DDGD	
O=C(NNc1ccccc1C(F)(F)F)N[C@H]1CCOC1=O	1123608285	ZMPRFEXXVYONIY-VIFPVBQESA-N	303.240	1.647	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@@H]2CCc3nccn3C2)o1	786845206	LQXZTHMGJLJLAV-SNVBAGLBSA-N	314.349	1.572	50	20	DDGD	
Cn1cnc2ccc(OS(=O)(=O)CCCCl)cc2c1=O	882112488	ZGVKYEYLCDVFPT-UHFFFAOYSA-N	316.766	1.271	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C\c1cnc(N2CCCC2)nc1	786042947	NUQMXERJYZDIKY-JYRVWZFOSA-N	306.391	1.766	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc([N+](=O)[O-])s1	782229156	PZHNUTUIQHSBIV-QMMMGPOBSA-N	301.324	1.158	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CCN(C3CC3)C2)c1	780831564	DSIVWNQDZDHRTQ-CYBMUJFWSA-N	318.377	1.336	50	20	DDGD	
CC[C@@H]1CCC[C@@H](C=NNC(=O)[C@@H](C)NS(C)(=O)=O)C1	783844984	CLOFPLAONRVHTF-IJLUTSLNSA-N	303.428	1.243	50	20	DDGD	
CCC[C@H](O)CC(=O)NNc1nnc(-c2ccccn2)s1	788555970	BDJJRFGRYKWNEG-VIFPVBQESA-N	307.379	1.594	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)CC2CCCC2)cc1C(F)F	893800997	CREQUDBVWJNSLV-UHFFFAOYSA-N	300.309	1.699	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)Nc2noc(C)n2)c1	781111537	NCHGZFIHOCTSQC-UHFFFAOYSA-N	306.351	1.710	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@H](C)C(=O)NNc1ncncc1Cl	781835604	DTTQFGNMTRTRCP-QMMMGPOBSA-N	322.800	1.802	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)c2ccc(O)c(O)c2)cc1	794557899	SEFCOGPAOWCPCP-UHFFFAOYSA-N	300.270	1.560	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)NOCC(F)F)cc1	793171840	GRFACRXHUKXTIZ-UHFFFAOYSA-N	317.296	1.285	50	20	DDGD	
CCOc1ccc(C=NNC(=O)N2CCN(C)CC2)c(O)c1	790180973	GIXODGLCZOCFBU-UHFFFAOYSA-N	306.366	1.082	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CN2CCC(F)(F)CC2)cc1	796541209	GVDJGPLFWNCTKV-UHFFFAOYSA-N	322.315	1.050	50	20	DDGD	
CCN(C)c1ccc(C=NNC(=O)[C@H](C)OCCOC)cn1	790166982	GHYVBRNFMYWDJP-LBPRGKRZSA-N	308.382	1.039	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cc(Br)c[nH]1)C(F)F	792026612	YZLRWILBVVBHLJ-UHFFFAOYSA-N	324.125	1.830	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNc2ncccc2Cl)nn1	799233006	YLRGUZVCWJBBRS-UHFFFAOYSA-N	322.712	1.460	50	20	DDGD	
CO[C@H]1CCC[C@H](CC(=O)NNC(=O)c2cccc(C#N)c2)C1	793419911	WGBOVWIGYQVZGQ-WFASDCNBSA-N	315.373	1.915	50	20	DDGD	
N#Cc1cnc(C(=O)NNc2nc3ccccn3n2)c(Cl)c1	791258728	HPAAMEXBMJADBK-UHFFFAOYSA-N	313.708	1.406	50	20	DDGD	
COc1ccc(C=NNC(=O)c2ccc(O)c(O)c2)c(O)c1	794559416	XBJVSWVKAJETGY-UHFFFAOYSA-N	302.286	1.576	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cncn2-c2ccccc2)[nH]1	1319628756	JRNHNSPUNADQOE-UHFFFAOYSA-N	320.312	1.147	50	20	DDGD	
C[C@@H](OC1CCCCC1)C(=O)NNC(=O)CNc1ccccc1	1318837301	DBUJXOQFIXQKPB-CYBMUJFWSA-N	319.405	1.984	50	20	DDGD	
O=C(CO[C@H]1CCOC1)NNc1ccc(C(F)(F)F)cc1	1319359295	ATTWMZOSHDUITE-NSHDSACASA-N	304.268	1.954	50	20	DDGD	
CC(=O)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1	1325100969	WXZQDOCKHRMEGA-LBPRGKRZSA-N	313.398	1.627	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccc(OCC2CC2)nc1	1325042642	QMRRVSOTKXDKTH-UHFFFAOYSA-N	303.297	1.556	50	20	DDGD	
O=C(CO[C@@H]1CCOC1)NNC(=O)Nc1ccc(Cl)cc1	1327172234	NQSFVWBDLJUGEC-LLVKDONJSA-N	313.741	1.298	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCc1nnc(C)n1C	1254152429	DLPAYKKYBJPACN-UHFFFAOYSA-N	310.789	1.106	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=O)Cc2ccncc2)c1C	1335840198	NYPBFZGNDCZMCD-UHFFFAOYSA-N	301.350	1.000	50	20	DDGD	
COCCN1[C@H]2CC[C@H]1CC(=NNC(=O)C1CCOCC1)C2	1336992838	NDRUSMHDYSPMPH-GJZGRUSLSA-N	309.410	1.158	50	20	DDGD	
CCOC(=O)C1(CNC(=O)NNC(=O)C(C)(C)C)CCCC1	1339740847	KHFFMXSUYKIPFH-UHFFFAOYSA-N	313.398	1.486	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)Cc2ccncc2)c(C)n1	1335806750	OXDGHLKFGLMLRD-UHFFFAOYSA-N	301.350	1.000	50	20	DDGD	
CC(C)(C)OC(=O)NC[C@H](O)C(=O)NNc1ccc(F)cc1	1262587060	SGFFNGDIJXQXLO-NSHDSACASA-N	313.329	1.154	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=S)NC(C)C)c(C)nc1C	1338392129	YMFZQGMLMBPDHL-UHFFFAOYSA-N	308.407	1.418	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1snnc1C(C)C	1262608368	FTKVIJPFWLVAEG-UHFFFAOYSA-N	320.374	1.745	50	20	DDGD	
CCCNCCNC(=O)NNc1cccc(Br)n1	1261377179	KSRCADRZJQHZOO-UHFFFAOYSA-N	316.203	1.470	50	20	DDGD	
CC(F)(F)C1(C(=O)NNC(=O)COc2ccc(F)cc2)CC1	1261661637	XJNHNVYIDWFFPP-UHFFFAOYSA-N	316.279	1.787	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CC2CCCC2)ccc2cncn12	1342105790	LSOAQGHTBDPUNT-UHFFFAOYSA-N	300.362	1.984	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@@H]2C[C@@H]2F)ccc1OC(C)C	1346233065	ADYFOARWPMUSLI-MNOVXSKESA-N	310.325	1.601	50	20	DDGD	
Cc1c(CNC(=O)NNc2ccc(C(=O)O)cc2F)cnn1C	1607528033	UJVNSKLJKQSOJT-UHFFFAOYSA-N	321.312	1.392	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)CCCn1ccc(C(=O)O)n1	1600536537	OXJWISUOIWQTHO-UHFFFAOYSA-N	320.324	1.952	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)NNc1cccc(C(=O)O)c1	1603021251	YJTNGVWJDLROHP-ZDUSSCGKSA-N	305.334	1.229	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1ccc(CC(=O)O)cc1	1603301005	LKLGFNGDPSDBCH-UHFFFAOYSA-N	307.350	1.190	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H]1CCC[C@@H]1C(=O)O	1608170096	RJZVJVVEKSFQED-OQXBOSRRSA-N	300.314	1.669	50	20	DDGD	
O=C(NNc1cccc(F)c1C(=O)O)c1occ2c1CCOC2	1601561256	XILXCPZYQFVRFS-UHFFFAOYSA-N	320.276	1.947	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)[C@H](O)c2ccccc2)cc1	1602129167	RHPJZSGAEKFFLF-OAHLLOKOSA-N	300.314	1.490	50	20	DDGD	
Cn1ncc(C2CC2)c1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1606276036	COBGBRJYKYRVTA-UHFFFAOYSA-N	324.348	1.235	50	20	DDGD	
O=C(C=C1CCSCC1)NNc1ccc(-c2nn[nH]n2)cn1	1606480875	UCVSSZXFASUELA-UHFFFAOYSA-N	317.378	1.158	50	20	DDGD	
O=C(O)C12CCC(C(=O)NNc3ncc(F)cn3)(CC1)CC2	1610729913	QABQVFBFVXMTEQ-UHFFFAOYSA-N	308.313	1.484	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)ccc1C	1549321912	WEFNCJBHJMLKKK-HOCLYGCPSA-N	317.389	1.317	50	20	DDGD	
COC1C[C@@H]2CC(=NNC(=O)[C@@H]3CN4CCC[C@@H]4CO3)C[C@H]2C1	1549312948	GCZOIVZBAOGJRY-WFIAGMATSA-N	321.421	1.157	50	20	DDGD	
COc1ccc(NNC(=O)CC2(CC(=O)O)CCCC2)nc1	1610342152	FQLAWASFUZHTGE-UHFFFAOYSA-N	307.350	1.959	50	20	DDGD	
CC(C)(C)OC(=O)N1CCCN(C(=O)C(=O)Cl)CCC1	521400776	DIUHLSBYZNPSIO-UHFFFAOYSA-N	304.774	1.611	50	20	DDGD	
CC(C)(C)c1coc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)n1	1550354915	XOVVRGKBNVQJPW-VXGBXAGGSA-N	320.393	1.285	50	20	DDGD	
CO[C@@H](C(=O)O)C(=O)NNc1nc2ccc(Cl)cc2s1	1574105620	PURAJFMYUBFPAV-MRVPVSSYSA-N	315.738	1.492	50	20	DDGD	
COc1ccccc1NNC(=O)c1cc(-c2nn[nH]n2)ccc1C	1580083935	XJYKLOIWUAFECM-UHFFFAOYSA-N	324.344	1.941	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1594641866	CKUFCURKSHPFRV-SCZZXKLOSA-N	313.379	1.005	50	20	DDGD	
CCOCc1nc(C)cc(NNC(=O)CC(C)(C)CC(=O)O)n1	1596952515	SJROWCMPTBBINS-UHFFFAOYSA-N	324.381	1.656	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(C(=O)O)c2cc[nH]c2c1	1596861332	KZXHBUPIWSVAKW-UHFFFAOYSA-N	320.305	1.055	50	20	DDGD	
CCOc1cccc2cc(C(C)=NNC(=O)NCC(=O)O)oc12	1597165792	WTPHBSXTXSTNGQ-UHFFFAOYSA-N	319.317	1.939	50	20	DDGD	
CC[C@@H](C(=O)O)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	1594755529	LKGNIBGOZUAWAH-SECBINFHSA-N	324.724	1.944	50	20	DDGD	
CCc1[nH]c(C=NNC(=O)NCC(F)(F)F)cc1C(=O)O	1597380331	GBJGRTFUUCAHSL-UHFFFAOYSA-N	306.244	1.471	50	20	DDGD	
COCC1(C(=O)NNc2cccc(C(=O)O)c2)CCOCC1	1599186269	KDBRPQPMNHRMCY-UHFFFAOYSA-N	308.334	1.271	50	20	DDGD	
O=C(O)Cn1cccc1C=NNC(=O)COc1ccccc1F	1595158217	HMUAPCOGMQUGCK-UHFFFAOYSA-N	319.292	1.241	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@H]1CCC[C@@H](C(=O)O)C1	1776293741	FIWZIRQSIJMCIU-ZJUUUORDSA-N	311.831	1.814	50	20	DDGD	
COCc1nocc1C=NNC(=O)Nc1ccc(C(=O)O)cc1	1776046299	JPNCFECXPSSXKE-UHFFFAOYSA-N	318.289	1.675	50	20	DDGD	
CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl	1793110868	ZUOQFWRYXSYVID-USZNOCQGSA-N	302.802	1.024	50	20	DDGD	
O=C(NNC(=O)[C@H]1Cc2ccccc2C(=O)O1)c1ccccc1	12510488	FIHLBKGTHCSYOK-CQSZACIVSA-N	310.309	1.229	50	20	DDGD	
COCCOc1ccccc1C(=O)NNC(=O)c1ccccc1	14659167	IEYVVVQUWJVBSF-UHFFFAOYSA-N	314.341	1.787	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](CC(=O)OC)c1cccs1	158776875	UYQQEFQGCUBWKB-DWOQACPDSA-N	308.359	1.912	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]1C1CC1)c1cc(-c2cccs2)n[nH]1	152315025	MMXDWJHZMLHFHR-UWVGGRQHSA-N	316.386	1.945	50	20	DDGD	
Cn1cc(CC(=O)NNc2cccc(Br)c2)cn1	152197411	MKRPCNDUXOVEFY-UHFFFAOYSA-N	309.167	1.868	50	20	DDGD	
CCOC(=O)NNC(=O)CN(C)C(=O)OCc1ccccc1	496544115	BWHIHBGMBNICFA-UHFFFAOYSA-N	309.322	1.032	50	20	DDGD	
CCc1[nH]c(C(=O)NNC(=O)CC(C)(C)C)c(C)c1C(=O)OC	103199996	DUKWTHXVSNFRSW-UHFFFAOYSA-N	323.393	1.869	50	20	DDGD	
CNC(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1Cl	56377121	DTQKDXOGKFGFCK-LURJTMIESA-N	306.149	1.721	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)Cc2cccnc2)c1	103424744	LWKRKSSNLYJEPZ-UHFFFAOYSA-N	313.357	1.467	50	20	DDGD	
Cc1cccc(C(=O)NNc2nc(-c3ccncc3)no2)c1O	102787754	SMDGESHGFJDVOA-UHFFFAOYSA-N	311.301	1.903	50	20	DDGD	
CC[S@@](=O)c1ccccc1C(=O)NNC(=O)c1ccc(C)o1	176214324	YBXCQRDBZCWKPU-JOCHJYFZSA-N	320.370	1.790	50	20	DDGD	
CCC[C@@H](NNC(=O)Cn1ccc2ccccc21)C(=O)OCC	174061537	ZMVXVRDIKMZJLP-CQSZACIVSA-N	317.389	1.994	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCCCC2)N[C@@H]1CCOC1	178772642	ZABOLNDUODPJSQ-LLVKDONJSA-N	323.418	1.750	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(Cl)nc(N2CCCC2)c1	112625619	JMLWBVPUOKLVMN-UHFFFAOYSA-N	312.757	1.726	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)C(C)(C)C)Oc1cccc(F)c1	176588998	JAXCRKKPHUCFPW-JTQLQIEISA-N	311.357	1.970	50	20	DDGD	
CN(C)C(=O)CCCC(=O)N/N=c1/sc2ccccc2n1C	172047168	CEUSPOHLGDUNDH-BMRADRMJSA-N	320.418	1.430	50	20	DDGD	
N#Cc1ccc(SCC(=O)NNc2ncc(F)cn2)cc1	123003933	HODKOKSXMNPWNE-UHFFFAOYSA-N	303.322	1.723	50	20	DDGD	
CN(Cc1ncc(Cl)n1C)S(=O)(=O)CCCCCl	155042698	RTLKELOLHWQBFE-UHFFFAOYSA-N	314.238	1.854	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NNC(=O)NCC1CC1	65191906	YFOMPFDRRABFBN-UHFFFAOYSA-N	301.350	1.085	50	20	DDGD	
O=C(NNc1nnc(C2CC2)s1)[C@@H]1Cc2ccccc2O1	184519564	ZKVSKGAMLHQRDI-NSHDSACASA-N	302.359	1.862	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cn1ccc2ccccc21)C1CC1	170920432	VWOWDCFPTDVBDT-LLVKDONJSA-N	300.362	1.770	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2C[C@@H]2C2CC2)cc1C	175523704	MXRGNAMMLGUPPE-KGLIPLIRSA-N	315.373	1.435	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CSCCS1)c1c[nH]c2ccccc12	176926699	DJRPGLSMQKVODQ-LBPRGKRZSA-N	321.427	1.778	50	20	DDGD	
Cn1c(=O)oc2c(C(=O)NNc3cccnc3Cl)cccc21	125878285	GFQWNTQJHLFHHJ-UHFFFAOYSA-N	318.720	1.937	50	20	DDGD	
CCCCCNC(=O)NNC(=O)c1ccc(OC)cc1OC	65132594	IDMPYEXLDNSBMY-UHFFFAOYSA-N	309.366	1.838	50	20	DDGD	
Cn1nc(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)ccc1=O	125325054	HTVFJIDBKPAFAO-UHFFFAOYSA-N	323.696	1.099	50	20	DDGD	
O=C(Cn1ccc([N+](=O)[O-])n1)NNc1cc(F)c(F)c(F)c1	175476403	XYGSMYUSHWRELN-UHFFFAOYSA-N	315.211	1.352	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)/C=C\c2ccccc2)cc1	33887009	PSXUIGIPPOIOEE-XFXZXTDPSA-N	323.352	1.794	50	20	DDGD	
O=C(NCCc1c[nH]c2ccccc12)NNC(=O)[C@@H]1CCCO1	125048195	WYWWUISYBUHMMK-AWEZNQCLSA-N	316.361	1.220	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)Nc1cnn(CC(F)F)c1	186040367	NFOPLNWSPGSZOU-UHFFFAOYSA-N	315.324	1.881	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)N1CCc2cccc(C)c21	124643628	DNUIZAJBAHCGSK-SNVBAGLBSA-N	303.362	1.078	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1ccc(N2CCCC2)nc1	182430165	XLLUISYBYNUETK-UHFFFAOYSA-N	301.325	1.973	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H]1Cc2ccccc2O1	132767637	JVSLNPXGRSIJOD-OAHLLOKOSA-N	312.325	1.460	50	20	DDGD	
O=C(Cc1ccn[nH]1)NNc1nnc(-c2ccccn2)s1	188187782	JUYLWKCNQXZTRZ-UHFFFAOYSA-N	301.335	1.009	50	20	DDGD	
O=C(CN1CSCC1=O)NNc1c(Cl)cccc1Cl	132805601	LBAZZYNFMOUTDD-UHFFFAOYSA-N	320.201	1.969	50	20	DDGD	
N#CC1(C(=O)NNc2ccc(C(F)(F)F)cn2)CCOCC1	132280081	KGHQESLFFVSWLB-UHFFFAOYSA-N	314.267	1.864	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2ccc3ccccc3c2)ncn1	136312289	IYQBAIVQKNGPLG-UHFFFAOYSA-N	320.352	1.942	50	20	DDGD	
Cn1cc(CC(=O)NNC(=O)c2ccccc2O)c2ccccc21	139610788	ZSNRZSZBOBFRML-UHFFFAOYSA-N	323.352	1.888	50	20	DDGD	
CCN(C)C(=O)[C@@H](C)NC(=O)c1c(C)nn(CCCl)c1C	191582573	DVDKRAIDRNSWNH-SNVBAGLBSA-N	314.817	1.335	50	20	DDGD	
O=C(NNC(=O)c1cnc([C@@H]2CCCO2)s1)c1cccnc1	89599578	MOEBAAGGQBCRFS-JTQLQIEISA-N	318.358	1.464	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	46658318	JSQNVWKZLPBYFC-SECBINFHSA-N	310.350	1.520	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccc(-n3cccn3)cc2)o1	84292081	STDJPKQUYGXMRU-UHFFFAOYSA-N	324.340	1.777	50	20	DDGD	
CO[C@H](C)CC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	195427982	RUWRCNXAWDRUFE-DGCLKSJQSA-N	308.378	1.643	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1nn(-c2ccccc2)c2c1CCC2	194925127	IYLITFSLTMGBDA-UHFFFAOYSA-N	313.361	1.277	50	20	DDGD	
Cc1cccc2cc(C(=O)NNC(=O)C(=O)NC(C)C)oc12	139653910	MGGCERFSPRJCQV-UHFFFAOYSA-N	303.318	1.027	50	20	DDGD	
O=C1CCc2cc(C(=O)NNC(=O)c3ccc[nH]3)c(F)cc2N1	133145990	QXQUWVWUAPTMRK-UHFFFAOYSA-N	316.292	1.113	50	20	DDGD	
CC(C)NC(=O)Nc1cccc(C(=O)NNC(=O)C2CC2)c1	48078749	WPQAVRHSFBGIHV-UHFFFAOYSA-N	304.350	1.388	50	20	DDGD	
Cc1cc(/C=C(\C#N)C(=O)NCC#N)c(C)n1C[C@@H]1CCCO1	195453814	XRVDRPTVWSIZIM-LRQZKABGSA-N	312.373	1.831	50	20	DDGD	
Cc1ccccc1C(=O)NNS(=O)(=O)c1cnn(C(C)C)c1	266118489	XXICGPRONQLJAU-UHFFFAOYSA-N	322.390	1.396	50	20	DDGD	
CO[C@@H](C)CCNC(=O)NNC(=O)c1cccc2ncccc12	264372058	RCERFFIWXLXGBY-NSHDSACASA-N	316.361	1.604	50	20	DDGD	
CN(CCNC(=O)NN(C)c1ccccc1)CC(F)(F)F	264768184	JYEBJRJVJAEAMM-UHFFFAOYSA-N	304.316	1.831	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1cc(Cl)nc(C)n1	267105854	PTIYRRZKNFLTOW-MRVPVSSYSA-N	302.762	1.323	50	20	DDGD	
CC[C@H](C)[C@@H](C)NC(=O)NNC(=O)COc1ccccc1O	264622032	RUALWPNMWWUXEU-WDEREUQCSA-N	309.366	1.536	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	266200237	AQRYKKVXYNHDMK-UHFFFAOYSA-N	317.223	1.785	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NNC(=O)N1CCN(C)CC1	365975882	AJSPNDYOYXVTKO-VXGBXAGGSA-N	322.434	1.148	50	20	DDGD	
O=C(NC[C@@H]1CCC2(CCCCC2)O1)NNC(=O)c1ccc[nH]1	277305874	SJUQANDRIXLZFB-LBPRGKRZSA-N	320.393	1.841	50	20	DDGD	
CCOC(=O)Cc1cccc(NC(=O)NNC(=O)C2CCC2)c1	272857289	RKHGOWSWUMVAFI-UHFFFAOYSA-N	319.361	1.745	50	20	DDGD	
C[C@H]1CCC[C@@H]1CC(=O)NNC(=O)CNC(=O)c1cccs1	274406984	NPHGFAZQYIWPGW-WDEREUQCSA-N	323.418	1.452	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NNC(=O)Cc2ccncc2)C1(C)C	271766429	BZNAMQVWUBBWBU-ZLKJLUDKSA-N	320.393	1.014	50	20	DDGD	
CCOC(=O)C[C@@H](C)CNC(=O)NNc1ccc(OC)cn1	275836354	BSJXSZZIWGSUOG-SNVBAGLBSA-N	310.354	1.306	50	20	DDGD	
CC(C)(O)c1ccc(CNC(=O)NNC(=O)C2CCC2)cc1	274793984	LTFNKWXJECHPGD-UHFFFAOYSA-N	305.378	1.545	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)Nc1ccc2c(c1)CCC2	274105973	YBULCXYATVSFHR-UHFFFAOYSA-N	301.346	1.061	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNC(=O)CNc1cccc(OC)c1	272194675	LGJABBQAZRDGSF-GFCCVEGCSA-N	323.393	1.317	50	20	DDGD	
CC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)cc1	274105101	XUXQHRCCVLMURF-UHFFFAOYSA-N	319.361	1.411	50	20	DDGD	
CCc1nn(C)cc1NC(=O)C(=O)NNc1c(C)cccc1F	274458172	FXCSFTVYSKFXDM-UHFFFAOYSA-N	319.340	1.512	50	20	DDGD	
C[C@@H](CO)CCCNC(=O)NNC(=O)c1cc2ccccc2o1	270352825	ADYWAEKIODRARV-LLVKDONJSA-N	319.361	1.785	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1Oc2ccccc2O[C@H]1C	274017258	AZZCHBUVBXHCFG-JOYOIKCWSA-N	316.317	1.157	50	20	DDGD	
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(OC)cn1	275598368	PMEWDTQAHGSJBG-NSHDSACASA-N	324.381	1.837	50	20	DDGD	
COC(=O)N(C)NC(=O)c1nc(Br)ccc1C	286209317	FAROZHZMQWMPGK-UHFFFAOYSA-N	302.128	1.496	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2C)C1	288844339	WLAMCPAOPJRXOK-LLVKDONJSA-N	320.349	1.605	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@](C)(O)C2CC2)cc1OC	288162832	FAVJCWMVLCOJRH-INIZCTEOSA-N	322.361	1.016	50	20	DDGD	
CCc1ncsc1NC(=O)C(=O)NCCSSC	284997738	BXYWHZREHCGKMB-UHFFFAOYSA-N	305.450	1.771	50	20	DDGD	
COC(=O)CC[C@H](N)C(=O)NNc1ccccc1C(F)(F)F	288533878	DUDQLPWCQDZYNX-VIFPVBQESA-N	319.283	1.429	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Cn1ccnc1C)c1ccccc1	297308761	FJLHLGOHRCFXPN-AWEZNQCLSA-N	300.362	1.533	50	20	DDGD	
CC[C@H](COCC(F)(F)F)NC(=O)NNc1ncccn1	297541813	IXPVYGXHUHWPRL-MRVPVSSYSA-N	307.276	1.460	50	20	DDGD	
CC[C@@H](C)N[C@H](CNC(=O)NNc1ncccn1)c1ccco1	807442664	KOHOFLGZOFJVJM-VXGBXAGGSA-N	318.381	1.825	50	20	DDGD	
COC1(CNC(=O)NNC(=O)c2ccc(C#N)cc2)CCCC1	296334313	LSYQRJRDFDFVIA-UHFFFAOYSA-N	316.361	1.461	50	20	DDGD	
CNC(=O)NNC(=O)C1(c2ccccc2OC)CCCCC1	294706682	UYCBATOQZNEYJG-UHFFFAOYSA-N	305.378	1.857	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccnc(C(F)(F)F)c1	809739115	XVSHOATVUJNRNF-UHFFFAOYSA-N	301.203	1.786	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)[C@@H]3CC[C@H](C)O3)[nH]n2)o1	294423753	YWBQZUHGUGWXNK-ZANVPECISA-N	318.333	1.307	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2C[C@H](C)CC(=O)N2)cccc1[N+](=O)[O-]	293320555	IRLGXPMVNHFGCL-KWQFWETISA-N	306.322	1.261	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@@H]1CCc2c(Cl)cccc21	291894423	JUHUMJOOJIZDKD-OLZOCXBDSA-N	323.780	1.837	50	20	DDGD	
N#C/C(=C\c1ccc(F)c(S(N)(=O)=O)c1)c1ccccn1	806565014	IMSWVLZWKICKCN-YRNVUSSQSA-N	303.318	1.932	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2CCCCO2)c1	295360564	JFODBHRBUDMSMI-OCCSQVGLSA-N	306.362	1.479	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)cc1C	800323696	ZWWQZGVBCDBCOG-HEHGZKQESA-N	320.389	1.643	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H](C2CC2)C(F)(F)F)n1	808865749	CIFQJLRLINRFEG-QMMMGPOBSA-N	305.260	1.452	50	20	DDGD	
CCCNC(=O)NNC(=O)c1c(OC)cnc2ccccc12	801845989	UFGVXTCKDMSGBL-UHFFFAOYSA-N	302.334	1.597	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCSC1)c1cccc([N+](=O)[O-])c1	809937453	SFSFKMJLHRYQTR-SNVBAGLBSA-N	309.347	1.499	50	20	DDGD	
COCCOc1ccc(Cl)cc1C(=O)NN(C)CCOC	297187296	UXZMXYYLYPGKSX-UHFFFAOYSA-N	316.785	1.588	50	20	DDGD	
Cc1noc(CNC(=O)NNc2ccc3c(=O)[nH]ccc3c2)n1	806701185	FPNJDUNAZLKJTR-UHFFFAOYSA-N	314.305	1.046	50	20	DDGD	
CCCCCOCC(=O)NNC(=O)CCc1ccc(OC)cc1	299327238	KRTKDFMWIPMXLS-UHFFFAOYSA-N	322.405	1.982	50	20	DDGD	
CC(C)C[C@@H](C)OCCC(=O)NNC(=O)N=c1cc[nH]cc1	802025411	FKPUFQRHRTYFPG-GFCCVEGCSA-N	308.382	1.498	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2cccc(Cl)n2)CN1C1CC1	293090586	RZWOMAHNNOIUHQ-NXEZZACHSA-N	309.801	1.986	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCc1cnn2ccccc12	807465453	IGWDRVSOGNTAOL-UHFFFAOYSA-N	315.255	1.117	50	20	DDGD	
CC(C)Cc1nc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cs1	294248195	NXVIVHMCAVLBNZ-ONGXEEELSA-N	311.407	1.670	50	20	DDGD	
COc1ccc(N2CC[C@H](CNS(=O)(=O)CCl)C2)cc1	819887981	QTNRYTDQOSCORF-LLVKDONJSA-N	318.826	1.637	50	20	DDGD	
CCC(=NNC(=O)c1ccc(-n2cnnn2)cc1)c1ccco1	814755517	BLZKJZMVGXSAAP-UHFFFAOYSA-N	310.317	1.799	50	20	DDGD	
CC1(C=NNC(=O)c2cc(Br)ccc2O)COC1	814857184	HYTPLXOBZZNWFG-UHFFFAOYSA-N	313.151	1.907	50	20	DDGD	
COCC1(CCNS(=O)(=O)CBr)CCC1	815055689	JIRUAGLAOPQMKO-UHFFFAOYSA-N	300.218	1.465	50	20	DDGD	
C[C@H]1OC(=O)N[C@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	819747185	MHOVGWMOPKLOOZ-SPGJFGJESA-N	305.121	1.328	50	20	DDGD	
COCCC(COC)=NNC(=O)CNc1ccc(C)cc1C	812224548	FILTZXZWPJVMGF-UHFFFAOYSA-N	307.394	1.870	50	20	DDGD	
CC[C@H](NC(=O)NNc1ncncc1F)c1c(C)noc1C	814315377	WPCXJTPMFCJYSB-JTQLQIEISA-N	308.317	1.998	50	20	DDGD	
CC1(C)CN(/C(=C\C#N)c2cccc([N+](=O)[O-])c2)C[C@@H](CO)O1	817277581	KIFLOPFWAIUWQS-WACFDSSMSA-N	317.345	1.931	50	20	DDGD	
Cc1ncc2n1CC[C@@H](C(=O)NNc1nccnc1C(C)C)C2	811462110	LIWTXNAMQRYAER-GFCCVEGCSA-N	314.393	1.811	50	20	DDGD	
N#Cc1ccc(NC(=O)NNC(=O)c2ccccc2O)cc1F	810250705	PBVLJMZAAYAODZ-UHFFFAOYSA-N	314.276	1.869	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	812454513	MXLNFTJULVWJLQ-MNOVXSKESA-N	322.361	1.137	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)c1cnn2cccnc12	728080922	QMYJPKLZYHHDLG-UHFFFAOYSA-N	321.300	1.536	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCO2)C1CCN(C)CC1	814699747	ISIXROGBHNQBJB-UHFFFAOYSA-N	303.362	1.863	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@H](C)n2cccn2)nc1	819434230	ZZFGMXCYLYKLIR-JTQLQIEISA-N	303.322	1.159	50	20	DDGD	
CNC(=O)C1(C(=O)NNC(=O)c2cccc(Cl)c2)CCC1	729966684	WJGNQZIUYFGDDE-UHFFFAOYSA-N	309.753	1.017	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccccc1[N+](=O)[O-])C1CC1	727275576	VVRHDYUFLPCEIJ-MRVPVSSYSA-N	308.363	1.502	50	20	DDGD	
CC(C)CCn1ccc(NC(=O)NNC(=O)c2cc[nH]n2)n1	821953270	KRWAIKBNKPCRDL-UHFFFAOYSA-N	305.342	1.119	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(OC)c(NC(C)=O)c1	494658377	GOQDKSGXBSRVOJ-UHFFFAOYSA-N	310.310	1.436	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2	728798276	ILKQYJNHIRNEAN-DRZSPHRISA-N	304.419	1.308	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCCn1cnc(C#N)n1	490936064	ADSDPCWKYTWKLN-KPKJPENVSA-N	310.292	1.012	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cc1	825601005	XEVNRMBQCIPKLG-KCQAQPDRSA-N	301.390	1.991	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1cn(C)c(C)n1	496932014	VYONJYDZWSRKAP-UHFFFAOYSA-N	309.370	1.093	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)C2CCCC2)CC2(CCCC2)O1	826624437	VIRZWPFKIWRBKL-LBPRGKRZSA-N	309.410	1.951	50	20	DDGD	
C=CCNC(=S)NNC(=O)/C(C#N)=C\c1ccc(F)cc1	490813480	PQGCDKXULQAGSW-FLIBITNWSA-N	304.350	1.414	50	20	DDGD	
CC(C)CN1C(=O)C(=NNC(=O)CN(C)C)c2ccccc21	727650235	XDIKIJPQAWHBRG-UHFFFAOYSA-N	302.378	1.071	50	20	DDGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C)[C@@H](C)O	490974751	OBSLNCAJHFBMFC-RSKNOSGTSA-N	300.362	1.388	50	20	DDGD	
CCOC(=O)NNC(=O)[C@](C)(CC)CNC(=O)OC(C)(C)C	493983731	YCSNKYSDZCBANM-CQSZACIVSA-N	317.386	1.705	50	20	DDGD	
CCc1c(C(=O)NN(C)[C@@H](C)CO)cnn1-c1ccccc1	823976816	JLNZXZWCVUUCMX-LBPRGKRZSA-N	302.378	1.392	50	20	DDGD	
CSc1ccc([C@H](C)NCc2ccccc2B(O)O)cc1	585039043	MUFSLRBGPVDONX-LBPRGKRZSA-N	301.220	1.939	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@@H](C)C[C@@H]1c1ccco1	827948566	HQHAJJMFAMGDDV-CHWSQXEVSA-N	307.394	1.856	50	20	DDGD	
C#CCN(CC(=O)NNC(=O)C1CCCC1)C(=O)OC(C)(C)C	821750193	BQXNUYNIQFWBIL-UHFFFAOYSA-N	323.393	1.194	50	20	DDGD	
O=C(O)COc1cccc(C=NNC(=O)NC2CCCC2)c1	733203661	UWZCVHIZGRELGT-UHFFFAOYSA-N	305.334	1.726	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC2(CCCC2)CC1	827269203	VZRPHMVQIHQOLU-CHWSQXEVSA-N	309.410	1.808	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](n2ccnc2)C1	732200702	JTIDMFZPJIRLFV-KGLIPLIRSA-N	321.425	1.102	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(C(=O)NC(C)C)cc1	494571819	IHSSVGUFEMBZRH-UHFFFAOYSA-N	308.338	1.607	50	20	DDGD	
COc1ncc(/C=C/C(=O)NNc2ncncc2Cl)cn1	492735109	LUIZQKCUMZGRJY-NSCUHMNNSA-N	306.713	1.085	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)/C=C/[C@@H]2CCOC2)cc1C	493675227	QUAIUTXVLAVBBO-YVARQFDVSA-N	318.373	1.422	50	20	DDGD	
O=C(Cc1ccccc1F)NN=Cc1cnc2n1CCOC2	905444032	HCPJDKSFSWQVDZ-UHFFFAOYSA-N	302.309	1.245	50	20	DDGD	
CC(=O)N[C@H]1CCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)C1	491163690	XQNWTCLVDFSKCG-NRUITVPNSA-N	301.321	1.470	50	20	DDGD	
COc1ccc([C@@H]2CCCCC2=NNC(=O)C(N)=O)cc1F	732710593	NMLOFTVJFCHLNS-JTQLQIEISA-N	307.325	1.449	50	20	DDGD	
Cc1ccc(C=NNC(=O)Cc2cc(O)nc(S)n2)cc1F	731486353	JSHBENGESMWAFV-UHFFFAOYSA-N	320.349	1.611	50	20	DDGD	
C[C@H](CN1CCOCC1)N(C)C(=O)[C@@]1(C)C[C@@H]1Br	907835604	IHSPMSHCZOCMKK-MDZLAQPJSA-N	319.243	1.339	50	20	DDGD	
Cc1cc(NC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)nn1C	490755228	SCHYQYNLLZCUAX-MLPAPPSSSA-N	308.345	1.793	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H](O)Cc1ccccc1Cl	495535097	XLHYQESVTWXBHW-NSHDSACASA-N	314.769	1.799	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2C[C@H](O)C[C@H]2c2ccccc2)cn1	491177090	UGZUGSCWLZITLR-KUCHOIMBSA-N	322.368	1.662	50	20	DDGD	
Cc1ccc(OCCNC(=O)NNc2cccnn2)c(C)c1	736372404	ITJONSCLERMHDC-UHFFFAOYSA-N	301.350	1.799	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccccc1SCC#N	732084257	UQUZPTGTOAEEAZ-UHFFFAOYSA-N	315.358	1.409	50	20	DDGD	
COCCN(C)NC(=O)c1cn(-c2ccc(Cl)cc2)nn1	837623173	YYLSZXOMTQVBSD-UHFFFAOYSA-N	309.757	1.144	50	20	DDGD	
CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NNc1ccncn1	834034243	HRERXEVZUINYHD-YPMHNXCESA-N	320.397	1.140	50	20	DDGD	
CC(C)N1CC[C@H](NC(=O)[C@]2(C)C[C@H]2Br)C1=O	906703451	RGWZFPXFAMWAIF-YGOYTEALSA-N	303.200	1.285	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)c2cc(F)c(F)cc21)C1CC1	731923285	CUKNMTCVNCUKAM-UHFFFAOYSA-N	314.313	1.373	50	20	DDGD	
CCOc1cccc(CNCc2ccc(B(O)O)cc2F)c1	585016431	YGHIMSMKIYFHGI-UHFFFAOYSA-N	303.142	1.194	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CC[C@@H]2CCOC2)c(F)c1	837207763	RTVSZFBBVXIONO-SNVBAGLBSA-N	310.325	1.872	50	20	DDGD	
CCOc1ccc(CNCc2ccc(B(O)O)o2)cc1Cl	585041558	DWMBTDWHJNCFTP-UHFFFAOYSA-N	309.558	1.301	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNc1nc(O)c2ccccc2n1	839703067	ZQGJRFAKWKFUKK-VIFPVBQESA-N	318.333	1.368	50	20	DDGD	
O=C(CCCc1ccccc1)NN=Cc1cnc2n1CCOC2	905443231	JNUDTWBYZJRDDR-UHFFFAOYSA-N	312.373	1.886	50	20	DDGD	
CC(C)CSCCNC(=O)NNC(=O)N=c1cc[nH]cc1	836377010	NNKXOMGLMRQQIW-UHFFFAOYSA-N	311.411	1.228	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNC(=O)[C@H]2CCCCO2)C1(C)C	833243563	UEILSWXWOVKDHW-FRRDWIJNSA-N	310.394	1.344	50	20	DDGD	
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NNC(=S)NC(C)(C)C	905342661	KNEDHDNDIHNFCX-VHSXEESVSA-N	315.439	1.260	50	20	DDGD	
Cc1ncc(CNC(=O)NNC(=O)C(C)(C)c2ccccc2)o1	838759445	ZVPQWHRAKOYSKX-UHFFFAOYSA-N	316.361	1.791	50	20	DDGD	
O=C(c1ncccc1Oc1ccccc1)N1CC[C@H](B(O)O)C1	585064442	QFHAZXIPTDPCDK-LBPRGKRZSA-N	312.134	1.563	50	20	DDGD	
CC(C)(C)OC(=O)NCCCCCC(=O)NNc1nc[nH]n1	839770776	ZITRAMJXRJBUDE-UHFFFAOYSA-N	312.374	1.333	50	20	DDGD	
O=C(NNC(=O)c1nnc2ccccc2c1O)NC1CCCC1	735655563	GPFBLYPYIHZISB-UHFFFAOYSA-N	315.333	1.222	50	20	DDGD	
COCCCn1cc(C)c(NC(=O)NNC(=O)C2CCCC2)n1	836713993	VNMHOPICTUTKJN-UHFFFAOYSA-N	323.397	1.571	50	20	DDGD	
CCCCNC(=O)NN=C1C(=O)Nc2c1ccc(OC)c2F	834944121	LPKQDZGJYBNWBM-UHFFFAOYSA-N	308.313	1.590	50	20	DDGD	
Cc1c(C(=O)NN(C)C[C@H](C)O)csc1Br	910161066	RFWXNIOKVZAILW-LURJTMIESA-N	307.213	1.776	50	20	DDGD	
O=C(NN=C1CCN(c2cnccn2)CC1)[C@@H]1CCCCO1	834987949	DLINPVBCGSNOIZ-ZDUSSCGKSA-N	303.366	1.118	50	20	DDGD	
CON(C)C(=O)CCC(C)=NNC(=O)COCc1ccccc1	834959391	QRVBFPUKLHUJGM-UHFFFAOYSA-N	321.377	1.495	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21	910476316	JUDCIKFKESZEIN-AVPPRXQKSA-N	308.769	1.922	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=Cc2ccc(O)c(O)c2O)c1	916281104	QQBHFPJJTLLRRF-UHFFFAOYSA-N	315.329	1.633	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1ccnn1-c1ccccn1	836696081	GITPRIGOYOSOGE-UHFFFAOYSA-N	314.349	1.610	50	20	DDGD	
CC(C)(CNS(=O)(=O)CBr)C1(O)CCCC1	832649375	HGTCBBAMCNAYFI-UHFFFAOYSA-N	314.245	1.590	50	20	DDGD	
CCCN1CCC[C@@H](C(=O)NNCC(F)(F)C(F)(F)F)C1	913163780	WJHCBTPMMCERHY-SECBINFHSA-N	317.302	1.927	50	20	DDGD	
CC(=O)N[C@@H](C)C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	746896559	RDWDCDRSYFASCP-ZETCQYMHSA-N	314.267	1.545	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@H]1COCc2ccccc21	841587318	RZJRVQFFTUDGQG-AWEZNQCLSA-N	303.362	1.779	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@H]1COc2ccccc2O1)C(F)(F)F	742469463	BXEWXAHADHRUCX-GMSGAONNSA-N	318.251	1.172	50	20	DDGD	
NC1(CNC(=O)NNc2ccc(OC(F)F)cc2)CCC1	841966396	AVXQENYKQJGGJL-UHFFFAOYSA-N	300.309	1.796	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)CNc1cccc(OC)c1	749761172	ZVHBSWMMSZOTSV-SNVBAGLBSA-N	310.423	1.401	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@H](C)NC(=O)NNC(=O)c1cccc(C)n1	840424362	OPMWHZDJRYPURJ-MEDUHNTESA-N	320.393	1.538	50	20	DDGD	
CCCNC(=O)NNC(=O)C[C@@H](C)N1CCc2ccccc21	847395160	RJPNRFRVUXZKTG-GFCCVEGCSA-N	304.394	1.568	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1C=O	843973504	YLYMKDMUJGBYEU-AAEUAGOBSA-N	304.346	1.302	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@H]1CCCN1c1ncccn1	747348059	AZUPHYWOMUHEKY-SNVBAGLBSA-N	307.354	1.001	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)N1C[C@@H]2[C@@H](C1)C2(F)F	846709827	UJYDXJGQMXIASA-CHWSQXEVSA-N	323.343	1.947	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)c2ccc(Cl)cc2O)cn1	918357590	JTAQOJRIAICCAI-UHFFFAOYSA-N	306.709	1.219	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCn1cnnc1C	746605268	VSTFYMQLIFICIU-UHFFFAOYSA-N	310.789	1.069	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(-n2cccc2)nc1	843652454	JKOBTZPAFXIXLK-DGCLKSJQSA-N	314.345	1.058	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1c[nH]cc1-c1ccccc1	745986261	PZQHDOMWZXEPGW-UHFFFAOYSA-N	314.345	1.368	50	20	DDGD	
O=C(C[C@@H]1CCCO1)NNc1ncc(Br)cn1	848319965	HSELOPLAFCDNEG-QMMMGPOBSA-N	301.144	1.251	50	20	DDGD	
C[C@H]1CCC[C@H](OCC(=O)NNc2ccnc(N(C)C)n2)C1	740107375	DZLOSZBQSCADLW-RYUDHWBXSA-N	307.398	1.581	50	20	DDGD	
CCC(=O)N1CC[C@@H](NC(=O)NNc2ccc(F)c(F)c2)C1	921484025	BKIMAQNFRQFSKX-SNVBAGLBSA-N	312.320	1.602	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)CCn1ccnn1	748732068	RBROOSLOFRBHOD-UHFFFAOYSA-N	324.182	1.882	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1coc2ccccc12	746577953	XODUCGXFJTUABU-UHFFFAOYSA-N	311.297	1.906	50	20	DDGD	
N#CSCCCNC(=O)[C@H]1CCCN1Cc1ccccn1	854362671	WUWPFBCIDKLYBE-CQSZACIVSA-N	304.419	1.767	50	20	DDGD	
O=C(NC[C@H]1CCCOC1)NNc1ccc([N+](=O)[O-])cc1F	853465439	HFJHRGWHMDQXIQ-SECBINFHSA-N	312.301	1.787	50	20	DDGD	
COc1cc(C(=O)NNc2nccnc2C2CCC2)sn1	857257749	AJQIPSOQMUJXPG-UHFFFAOYSA-N	305.363	1.966	50	20	DDGD	
O=C(NN=Cc1cc(F)c(F)c(F)c1)C(=O)Nc1ccccn1	758382359	VRWXOYWNXXXVEL-UHFFFAOYSA-N	322.246	1.588	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCCO2)N[C@H]1C=CCC1	852511120	HQCCNWRUCLWQMP-NSHDSACASA-N	303.318	1.120	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)COc1ccc(F)cc1)C1CC1	858144091	GCOVMYOBUSDKDS-AWEZNQCLSA-N	310.325	1.167	50	20	DDGD	
CCC[C@H](O)CC(=O)NNC(=O)c1ccc(Cl)cc1F	750366094	ZTGBAJUZFQRIPV-VIFPVBQESA-N	302.733	1.791	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC2(CCCC2=O)CC1	852631680	YUOYKOZVQXSGLF-UHFFFAOYSA-N	309.410	1.015	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(N(C)CCC#N)cc1	920833859	YYHJZWSIBMZGPG-UHFFFAOYSA-N	317.393	1.706	50	20	DDGD	
CN1CCC[C@@H]1CNC(=O)NC[C@]1(C)C[C@@H]1Br	856838785	IJDDRKAFVCFVOP-SCVCMEIPSA-N	304.232	1.553	50	20	DDGD	
CC(C)N1CCC[C@@H]1C(=O)NNC(=O)c1cccc(Cl)c1	929259280	WGCARLFZSQZQNM-CYBMUJFWSA-N	309.797	1.974	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H]2CCCO2)c1C	853204089	SRRMBIZOOIWLSK-NSHDSACASA-N	307.350	1.587	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc(C(F)(F)F)[nH]1)C1CC1	855095435	LKSPWRBTBCSXFX-ZCFIWIBFSA-N	320.340	1.941	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)c2cccc(F)n2)CCCC1	856427943	KNPCLLUYDPLQAO-UHFFFAOYSA-N	323.324	1.105	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1C(=O)NN=c1cc[nH]cc1Cl	757593838	CSRJQUAGDREKDW-UHFFFAOYSA-N	322.708	1.831	50	20	DDGD	
CC[C@@H]1CN(C)CCN1C(=O)NC[C@@]1(C)C[C@H]1Br	856957984	IVCPYJAPQCPCIH-NQBHXWOUSA-N	318.259	1.896	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NC[C@H](C)C1CC1	920054722	UIXBSLPWUHIDRA-WDEREUQCSA-N	323.368	1.970	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)OCC(F)(F)F)ccc1[N+](=O)[O-]	856027082	YKRWEEWYSKLXHL-UHFFFAOYSA-N	321.211	1.837	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2cccc(C(N)=O)c2)cc1	755599489	STDOOTSKYUQJEU-UHFFFAOYSA-N	324.340	1.183	50	20	DDGD	
CC[C@H]1COCC1=NNC(=O)c1nn(-c2ccccc2)cc1O	853277498	QWTQKAJAUGDDBI-NSHDSACASA-N	314.345	1.720	50	20	DDGD	
CC(C)C[C@H](O)CNC(=O)NC[C@@]1(C)C[C@H]1Br	856956921	WXOXREVTXLXMHH-HOSYDEDBSA-N	307.232	1.866	50	20	DDGD	
CO[C@H]1CCN(C(=O)NNC(=O)c2cccc(F)n2)CC1(C)C	852710251	MDLKKBOBCMQHLL-NSHDSACASA-N	324.356	1.322	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1Cl	858093065	QVVYKDWDYXDHJD-KCJUWKMLSA-N	324.768	1.010	50	20	DDGD	
C=C(C)COCCNC(=O)NNc1ccc([N+](=O)[O-])cc1F	853862486	OFZFOSMLCHQJCQ-UHFFFAOYSA-N	312.301	1.953	50	20	DDGD	
C=C[C@H](CC)CC(=O)NNC(=O)CNC(=O)c1cccs1	931472024	VWSLWQVHOJUPFM-SNVBAGLBSA-N	309.391	1.228	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1ccc(C2CCC2)cc1	756032454	QUIGTBQCTSIAQF-UHFFFAOYSA-N	305.378	1.821	50	20	DDGD	
Cn1cc(C(=O)NN=C[C@@H]2CCCO[C@H]2c2cnn(C)c2)cn1	853309359	OQZNASXNESYARQ-SMDDNHRTSA-N	316.365	1.037	50	20	DDGD	
CN1C(=O)CC[C@@H]1CC(=O)NNC(=O)c1ccc(Cl)cc1	854148464	PROOAQKMCKUHQZ-LLVKDONJSA-N	309.753	1.112	50	20	DDGD	
CO[C@H](CNC(=O)NNc1ccc([N+](=O)[O-])cc1F)C1CC1	854093165	XUZLZESKRHHIBT-GFCCVEGCSA-N	312.301	1.785	50	20	DDGD	
Cc1ccn2cc(C(=O)NNC(=S)N[C@@H](C)C3CC3)nc2c1	751617636	JUHBGSVAOPXVGH-JTQLQIEISA-N	317.418	1.550	50	20	DDGD	
O=C(NCCOCCF)NNC(=O)c1cc2ccccc2o1	852171999	DEVOWLSZFNVCRW-UHFFFAOYSA-N	309.297	1.363	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2C[C@H]2OC(C)(C)C)c1	854263505	IRSQFYOTYWPLBY-ZIAGYGMSSA-N	319.405	1.717	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccc(C)cc2O)n1	752794453	RQFHHVSBONEMHT-UHFFFAOYSA-N	301.302	1.179	50	20	DDGD	
Cc1nc(C(=O)NN=c2cc[nH]cc2Cl)c2ccccn12	757418690	JCHJWJHJWPMMJG-UHFFFAOYSA-N	301.737	1.870	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCCc1ccc(N)cc1	866761660	UMFSVXFIZCMEBF-UHFFFAOYSA-N	304.843	1.996	50	20	DDGD	
C[C@@H](NNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C(F)(F)F	862322112	FQFJBJLUEREHGT-ZCFIWIBFSA-N	309.219	1.848	50	20	DDGD	
CCCCCN(CC(N)=O)S(=O)(=O)CC(C)(C)CCl	867070982	VBDXVVRQTDRABS-UHFFFAOYSA-N	312.863	1.559	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C1CN(C(=O)OC(C)(C)C)C[C@@H]1C	863093992	JQQCWZCTSJUWSX-VIFPVBQESA-N	321.381	1.691	50	20	DDGD	
COc1cccc(-c2cc(C(=O)NNC(=O)CC3CC3)on2)c1	861840758	KEHRSLZKYJFJHC-UHFFFAOYSA-N	315.329	1.911	50	20	DDGD	
CS(=O)(=O)CC1(CC(=O)NNc2nc3ccccc3[nH]2)CC1	768499436	FMMKMHRBHRKOJP-UHFFFAOYSA-N	322.390	1.221	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)C1(F)CCOCC1	867474895	XDCYXSFQVUPZIF-UHFFFAOYSA-N	318.146	1.806	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(OC(F)F)cc1)[C@@H]1CCC(=O)N1	860325398	HFVJJLPCFXYCII-KCJUWKMLSA-N	313.304	1.646	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NNC(=O)Cc1ccccc1F	862994501	VNKUXPZUXRELOL-CYBMUJFWSA-N	307.369	1.388	50	20	DDGD	
COc1cc(/C=C(/C#N)S(=O)(=O)N(C)C)c(Cl)cc1O	865223688	KOCVAKPJTMBDMP-WTKPLQERSA-N	316.766	1.810	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)CNc1ccccc1OC)C1CC1	863853743	OYRGUZBLWRAUAI-OAHLLOKOSA-N	321.377	1.070	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)C2CCCC2)CCO[C@@H]1C1CC1	768531935	BULRDMYXIDWCDW-CJNGLKHVSA-N	309.410	1.712	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]c1=S)[C@@]1(O)CCSC1	862293546	XTZCLHGAWLCBFU-CYBMUJFWSA-N	322.415	1.603	50	20	DDGD	
Cc1ccc(CO[C@H](C)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	862095221	JCZBYIXYBUTMHN-GZBFAFLISA-N	320.389	1.473	50	20	DDGD	
C[C@@H](NC(=O)C(C)(C)C)C(=O)NNc1nc2ccccc2[nH]1	768501035	ZMIKAMFJTLPMLR-SECBINFHSA-N	303.366	1.557	50	20	DDGD	
CSCC[C@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)C(N)=O	862715793	KLXIQQZURJEPEU-YKWSONSWSA-N	319.386	1.022	50	20	DDGD	
Cc1cc(=NNC(=O)CSc2nncn2C(C)C)cc[nH]1	862509449	MNOLTXSBMVEYIP-UHFFFAOYSA-N	306.395	1.220	50	20	DDGD	
NC(=O)C(=O)NN=Cc1cccc(OCc2ccc(F)cc2)c1	766682364	NEDCUFMJUWLWME-UHFFFAOYSA-N	315.304	1.340	50	20	DDGD	
CC[C@H](C)Oc1ccc(C(=O)NNC(=O)c2cn[nH]c2)cc1	862472608	OBUACGAFCGOYCG-JTQLQIEISA-N	302.334	1.662	50	20	DDGD	
C[C@H](NC(=O)CCC(=O)NNC(=O)C(C)(C)C)c1ccccc1	1119517682	ZXVCPMIECUMHOD-LBPRGKRZSA-N	319.405	1.838	50	20	DDGD	
CC(F)(F)C1(C(=O)NNC(=S)Nc2ccccn2)CC1	1119057257	DPFQWBHGLIWAIN-UHFFFAOYSA-N	300.334	1.835	50	20	DDGD	
COC(=O)c1cccc(NC(=O)NNC(=O)c2ccc[nH]2)c1	861743993	RNKNIQLSTGTGEV-UHFFFAOYSA-N	302.290	1.268	50	20	DDGD	
Cc1cc(NNC(=O)NCc2nnc(C)n2C)ccc1Cl	1119673421	KNXPXRZQZHCEHN-UHFFFAOYSA-N	308.773	1.912	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCSC2)c1	762169041	FHAWJACPVCZHID-LLVKDONJSA-N	305.428	1.739	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccc(Cn2cccn2)cc1	875090705	PTZZZYYABRQCKI-UHFFFAOYSA-N	317.349	1.344	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@@H](C)CN2CCCCC2)cc[nH]1	875127326	LHHCMHRXPBDXJF-CYBMUJFWSA-N	305.426	1.560	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@](C)(O)C(C)C)cc1OC	770220694	RXMGEGWOCHOOBK-MRXNPFEDSA-N	324.377	1.262	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2cccnc2C2CC2)n1	773863139	RDEYFDMZKKIWHF-UHFFFAOYSA-N	304.741	1.742	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@@]2(C)CCOC2)c1	1119057443	LKEYQNZGWLACGW-AWEZNQCLSA-N	311.382	1.878	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)c2ccccn2)c(C)nc1C	777087447	YHYLTXXZIDFGIP-UHFFFAOYSA-N	312.329	1.371	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)Cn2ccc(C)n2)c(O)c1	878325876	MPJVPXUBGFHGOA-NSHDSACASA-N	316.361	1.303	50	20	DDGD	
CN(C)[C@H]1CCCC[C@@H]1NC(=O)NNc1ncncc1Cl	1116688031	HNDAROJHTJPASO-QWRGUYRKSA-N	312.805	1.629	50	20	DDGD	
CN(NC(=O)COc1ccc(Cl)c2ccccc12)C(N)=O	778411985	JDHIONPPDPUXNX-UHFFFAOYSA-N	307.737	1.914	50	20	DDGD	
CCCCn1cc(S(=O)(=O)NNC(=O)CC(C)C)c(C)n1	872334392	WDTAJQAENFQQJR-UHFFFAOYSA-N	316.427	1.347	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)N[C@H]1CC12CCC2	872794865	QZLBFDHNPRFNNB-LBPRGKRZSA-N	307.325	1.478	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)[C@@H]1CCCOC1	771533372	BDTIUWYDQXTDLJ-MRVPVSSYSA-N	300.156	1.714	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)/C=C/CN1CCOCC1	885126998	JZECCYVPEYNGMK-NSCUHMNNSA-N	309.797	1.980	50	20	DDGD	
COC[C@@H](C)n1ccc(NC(=O)NNc2ncc(F)cn2)n1	779937989	YLULRIRWDZCHBH-MRVPVSSYSA-N	309.305	1.168	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cnnn1-c1cccc(F)c1	789890592	YUFLLUDXUJYRNL-UHFFFAOYSA-N	305.313	1.214	50	20	DDGD	
N#Cc1ccc(NNC(=O)NCC[C@@H]2C[C@H]3CC[C@H]2O3)nc1	889223959	REKCAMLTFBJKEI-JHJVBQTASA-N	301.350	1.537	50	20	DDGD	
O=C(C1CCCC1)N1CC[C@@H](NS(=O)(=O)CCCCl)C1	881991553	SXHMCKJUGBSBFJ-GFCCVEGCSA-N	322.858	1.326	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(OC(F)F)cn2)nc1	781522141	LAVPCVZRUUGTEQ-UHFFFAOYSA-N	310.260	1.844	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2ccc(F)cc2OC)c1	788189218	OZRLCRRIWVKLDW-UHFFFAOYSA-N	317.320	1.951	50	20	DDGD	
CN(C)C(=O)c1ccc(NC(=O)NNC(=O)C2CCC2)c(F)c1	880644073	QMQZWUGQEHPABN-UHFFFAOYSA-N	322.340	1.480	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cccc(C#N)c2C)ncn1	783947910	MDUFLRQXUDFTQZ-UHFFFAOYSA-N	310.317	1.047	50	20	DDGD	
CN(C)C1(C(=O)NNC(=O)NCc2ccc(Cl)cc2)CCC1	787424435	JTLSWZFYFHPZME-UHFFFAOYSA-N	324.812	1.655	50	20	DDGD	
CCCNC(=O)CCNC(=O)[C@H](Br)C(C)(C)C	781078638	LMLJUNVITKIIRS-JTQLQIEISA-N	307.232	1.829	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ncn(Cc2ccccc2)n1	782565262	GQHWMWJIOYRHKX-UHFFFAOYSA-N	314.349	1.279	50	20	DDGD	
C#CCCCC(=O)NNC(=S)Nc1cc(OC)ccc1OC	899620550	OBLGCDZDEIJNSU-UHFFFAOYSA-N	321.402	1.825	50	20	DDGD	
COC(=O)C1(CNC(=O)NNC(=O)CC(C)C)CCCCC1	784564714	RLWOJYRLUMACIH-UHFFFAOYSA-N	313.398	1.486	50	20	DDGD	
CC(C)OC(=O)C(C)(C)NC(=O)/C(C#N)=C/c1cnn(C)c1	891317148	IVBNGHQRUPSHBK-WUXMJOGZSA-N	304.350	1.173	50	20	DDGD	
O=C(CC(=O)NNc1nc2ccccc2[nH]1)NCC(F)(F)F	789904906	HJTHNIJQPZEFKJ-UHFFFAOYSA-N	315.255	1.075	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2nnc(CC)s2)cc1	899947551	XKQRTHJHYWCWJD-UHFFFAOYSA-N	304.375	1.738	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNC(=O)NC1CCCCC1	899939842	CQKDBWZHUCVVFA-QMTHXVAHSA-N	319.409	1.739	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C1=CCOCC1	793972462	UBJYKOHDTDYLPE-SNVBAGLBSA-N	324.764	1.601	50	20	DDGD	
Cc1c(C)c(O)c(C=NNC(=O)c2cnn(C)c2)c(C)c1O	799880942	WJVJFNAXPJOIPT-UHFFFAOYSA-N	302.334	1.520	50	20	DDGD	
CCON1CCC(CC(=O)NNC(=S)NC(C)(C)C)CC1	899998519	QZNOCXKMDBIVSF-UHFFFAOYSA-N	316.471	1.334	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H](C)c1ccc2c(c1)OCO2	794246296	ICANNKYSQNWUIZ-SNVBAGLBSA-N	307.350	1.649	50	20	DDGD	
CO[C@@H](C(=O)NNc1cnnc2ccccc12)c1cnn(C)c1	799100369	PWPHEARPSTWRQQ-CQSZACIVSA-N	312.333	1.194	50	20	DDGD	
CCOc1ccc(C(=O)NN=Cc2cn(C)cn2)cc1OC	794479012	CJPARPITRFUQTB-UHFFFAOYSA-N	302.334	1.591	50	20	DDGD	
COCc1cc(C=NNC(=O)C(=O)Nc2ccc(C)cc2)no1	794888158	OKFFRQZRBQSJDJ-UHFFFAOYSA-N	316.317	1.218	50	20	DDGD	
CSSCCNC(=O)N[C@H](C)CCN1CCN(C)CC1	790833244	ARRWRYXHFOSWMT-GFCCVEGCSA-N	320.528	1.323	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccc(C#N)o1	794209374	BICSSHZYRIKEJK-UHFFFAOYSA-N	309.285	1.182	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H](C)c2cnccc2C)n1	793136651	GUPDZANUSLBBAZ-LBPRGKRZSA-N	313.361	1.799	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CC[C@@H](CC(=O)OC)[C@H]1C	794519882	PCVYAIRNTNGEIF-UTUOFQBUSA-N	314.382	1.119	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Cc2cccc(C(F)F)c2)cn1	790556497	SGJFPQVYTOCKHI-UHFFFAOYSA-N	308.288	1.361	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccccc1CC(C)C	790599252	IVWSNGNAOCCRKN-UHFFFAOYSA-N	300.362	1.991	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2cc(C(F)(F)F)n[nH]2)n1	799474454	JLURHCOPXUPTQG-UHFFFAOYSA-N	317.296	1.886	50	20	DDGD	
Cc1cc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])cc(O)n1	791076948	YQQCHPYOTXAEGM-UHFFFAOYSA-N	306.253	1.900	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc3ccccc3n2C)n1	794079827	CQUHBRJIJWXCKF-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
CSSCCNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1	791150885	WMMXTWMVPPNNMK-LLVKDONJSA-N	302.465	1.762	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1cccc(C(F)F)c1	790545361	DHKYSMZZZZFJBF-UHFFFAOYSA-N	315.320	1.534	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCc1ccc2c(c1)CCO2	1321623845	AGLQFSSSFBMCJL-UHFFFAOYSA-N	305.403	1.235	50	20	DDGD	
CSCCNC(=S)NNC(=O)Cc1cc(C)ccc1F	1324720625	LNHAHKQLHIWJLX-UHFFFAOYSA-N	315.439	1.535	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CC[C@@]3(CCN(C)C3)C2)c1	1328731945	UZZXDRPAXJNLSV-OAHLLOKOSA-N	322.434	1.439	50	20	DDGD	
CCc1onc(C)c1NC(=O)C(=O)NNc1cncc(Cl)n1	1320549577	SHOXZHUARXPACQ-UHFFFAOYSA-N	324.728	1.071	50	20	DDGD	
CO[C@H](C1CC1)[C@@H](C)NC(=O)NNc1nncc(N)c1Cl	1325372260	FCOUHRLWFIJUGZ-LDWIPMOCSA-N	314.777	1.152	50	20	DDGD	
Cc1cc(CNC(=O)NNc2ccc(C(C)(C)C)nn2)ncn1	1335800610	BFWZYVXMUQXGBV-UHFFFAOYSA-N	315.381	1.699	50	20	DDGD	
Cc1ccc2c(c1)[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)CO2	1332077362	DYCNALVNZGLXRJ-NQBHXWOUSA-N	319.361	1.184	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCC[C@H](OC)C2)cc1	1343851689	WHYVGVOEQWRHDD-OCCSQVGLSA-N	306.362	1.661	50	20	DDGD	
O=C(NCC12COCCN1CCOC2)C1CCC(Cl)CC1	1263869040	FDFGGRZPTKTELH-UHFFFAOYSA-N	316.829	1.001	50	20	DDGD	
O=C(NNC(=O)c1cncn1-c1ccccc1)NC1CC=CC1	1346157333	YDRVEQCGLDWHTR-UHFFFAOYSA-N	311.345	1.535	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)Nc1cc(F)cc(F)c1	1358230222	ZVEJZZTVXIFYFP-NWDGAFQWSA-N	313.304	1.933	50	20	DDGD	
COC(=O)c1cc(NNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)ccc1F	1352178371	CLCVKDAMBZLUMW-ZWKOPEQDSA-N	323.324	1.558	50	20	DDGD	
C[C@]1(COC(=O)Cn2cc(C(=O)O)cn2)C[C@H]1Br	1604582762	KPUXFOATWNCTOP-LDYMZIIASA-N	317.139	1.298	50	20	DDGD	
Cc1oc(C=NNC(=O)[C@@H](C)CN2CCCCC2)cc1C(=O)O	1600838017	LHETUMBJMYAQEC-NSHDSACASA-N	321.377	1.858	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1cc2ccccc2[nH]1	1606858489	UBTOWUGDXIMAJB-UHFFFAOYSA-N	320.316	1.500	50	20	DDGD	
Cc1noc2ncc(C(=O)NNc3ccccc3C(=O)O)cc12	1600816098	MCERRHCUOBVKPB-UHFFFAOYSA-N	312.285	1.986	50	20	DDGD	
O=C(COc1ccc(-c2nn[nH]n2)cc1)NN=C[C@@H]1CC1(F)F	1606568342	CHFRFFHQUGPUDH-VIFPVBQESA-N	322.275	1.003	50	20	DDGD	
Cc1nocc1CNC(=O)NNc1cccc(C(=O)O)c1C	1608029851	XDMWVPFERIUHBL-UHFFFAOYSA-N	304.306	1.816	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@H](O)c1ccccc1	1607139759	CPUMNYALVCROFI-AWEZNQCLSA-N	316.313	1.570	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@H](O)c2ccccn2)c1F	1602446852	VGXDUSGXTKVOTE-LBPRGKRZSA-N	305.265	1.096	50	20	DDGD	
CSc1nccnc1C(=O)NNc1ccccc1C(=O)O	1607415745	VWWCDOFDGWIGEY-UHFFFAOYSA-N	304.331	1.654	50	20	DDGD	
O=C(O)/C=C/c1ccc(C(=O)NNC(=S)NCC2CCC2)o1	1608657506	FTBQJNGYRRJXIC-FNORWQNLSA-N	323.374	1.286	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNc2ccccc2C(=O)O)C1	1609881649	BAMWJINRSUDITG-JTQLQIEISA-N	305.334	1.086	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNc2ccc(C(=O)O)cn2)cc1	1601109900	ASOXNEUKSPCPDG-UHFFFAOYSA-N	312.285	1.174	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1ccc(C)s1	1549316418	RVHAZYTYGXRWPB-QWHCGFSZSA-N	307.419	1.760	50	20	DDGD	
COc1cccc(C(C)=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)c1	1549318465	ZKPAXQOUEICVRQ-GDBMZVCRSA-N	317.389	1.399	50	20	DDGD	
CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cl)COC	1802272496	BONDEWYOSNATDP-WRWGMCAJSA-N	302.802	1.288	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H]2NCC2(C)C)c1	1574151757	BZXLFKYCHHEAIN-GFCCVEGCSA-N	306.435	1.619	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CCCCC1CCNCC1	1575722903	SLJZDVPVWUQZTL-UHFFFAOYSA-N	300.472	1.450	50	20	DDGD	
C=C(Cl)C[C@@H](N)C(=O)NNc1ccc(Br)nc1	1574857017	KOYNZVHACAULJJ-MRVPVSSYSA-N	319.590	1.757	50	20	DDGD	
CC[C@H](C)[C@@H](N)C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1842892025	SSDZEFUBXHYJEJ-AXFHLTTASA-N	319.808	1.098	50	20	DDGD	
NCCNC(=O)NNC(=O)/C=C\c1ccc(F)c2ccccc12	1580311080	FHSVUCLGBVWPSN-VURMDHGXSA-N	316.336	1.281	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(-c2nn[nH]n2)cn1)c1cccs1	1589000303	XOJKSXAJKQUHLE-QMMMGPOBSA-N	315.362	1.570	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@H]1CCCNCC1	1580566051	ITQJNQMGRYZPAS-LBPRGKRZSA-N	314.389	1.248	50	20	DDGD	
C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NNc3ncccc3C(=O)O)CN2C1	1589300389	VIYKPNNETSMIKD-UTUOFQBUSA-N	318.377	1.343	50	20	DDGD	
NCc1ncc(C(=O)NNc2ccc(Cl)cc2Cl)cn1	1580354862	MJRRQJGVINFYOG-UHFFFAOYSA-N	312.160	1.999	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CNCCC12CCC2)c1ccc(Cl)nc1	1580736257	PXUFDDOTSMIEDW-NSHDSACASA-N	322.796	1.276	50	20	DDGD	
O=C([C@@H]1C[C@@H]1C1CC1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843361343	AVZBIBMZWNMGCV-IJLUTSLNSA-N	314.788	1.770	50	20	DDGD	
O=C(NNc1ccc(-c2ccccc2)nn1)[C@H](F)[C@H]1CCNC1	1580737544	SSKHVCVZEAYOAB-SWLSCSKDSA-N	315.352	1.534	50	20	DDGD	
CC(=O)C(=O)N1CCCC12CN(C(=O)[C@@](C)(Cl)CCl)C2	1842611310	GRTJFGPHVITHCR-LBPRGKRZSA-N	321.204	1.015	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846387587	ODZBKYQNQNJJPZ-SSDOTTSWSA-N	317.575	1.528	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)[C@H]1CC[C@@H](C(=O)O)C1	1594780634	ZZFNFGYHNSRMAO-NKWVEPMBSA-N	318.255	1.439	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)C2CC(F)(F)C2)C1	1841121880	OSROOZKFGIHCBT-SECBINFHSA-N	324.730	1.770	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCN1CCNC(=O)[C@H]1CC(=O)O	1590451196	FYFAUIWOOJXYMG-LLVKDONJSA-N	316.474	1.283	50	20	DDGD	
O=C(NCC(Cl)Cl)Nc1ccc(-c2nn[nH]n2)cn1	1593008461	JFESSNOSPXIJMD-UHFFFAOYSA-N	302.125	1.187	50	20	DDGD	
COc1cc(NC(=O)NN(C)c2ccccn2)ccc1C(=O)O	1599439961	MGFFQFDIANXEMZ-UHFFFAOYSA-N	316.317	1.961	50	20	DDGD	
CCOCC(=O)NN=C(C)c1ccc(-c2nn[nH]n2)cc1Cl	1590799248	VBUCTRUNJFJOEZ-UHFFFAOYSA-N	322.756	1.397	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NN=Cc1cc(C(=O)O)no1	1593652340	ZUOIQHCJXLFUQC-MRVPVSSYSA-N	321.264	1.430	50	20	DDGD	
COCC1(CC(=O)NNc2ccc(-c3nn[nH]n3)cc2)CC1	1591387648	VHQZALGGTCVMHV-UHFFFAOYSA-N	302.338	1.127	50	20	DDGD	
COCCN(CCC(=O)O)C(=O)/C(C#N)=C/c1ccc(F)cc1	1594001259	OEPKHDXYBOONEQ-JLHYYAGUSA-N	320.320	1.682	50	20	DDGD	
Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNc1ccc(C#N)cc1	1591784328	GYFJVWJSIOUUCV-UHFFFAOYSA-N	308.305	1.132	50	20	DDGD	
CC(C)OCCCNC(=O)/C(C#N)=C\c1ccc(C(=O)O)o1	1591722730	LRYHOCRHUSKJSA-FLIBITNWSA-N	306.318	1.816	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2noc3c2COCC3)cc1	1776101681	SRGQKNNTGRRPCD-UHFFFAOYSA-N	315.285	1.209	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NN=C1CC(C(=O)O)(c2ccccc2)C1	1776102512	ROUFMPAUSAPMJZ-LICQEQMYSA-N	316.357	1.700	50	20	DDGD	
CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](F)Cl)C3)CC1	1795393089	FGUTWFQUQKQDHL-LMLFDSFASA-N	302.777	1.959	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc2c(ccn2CC(C)C)c1	161279379	ZZZDEYBPIPXFJZ-UHFFFAOYSA-N	316.361	1.403	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)C(C2CC2)C2CC2)cc1	163295751	MDCAFWIEDAIRRW-UHFFFAOYSA-N	313.357	1.521	50	20	DDGD	
CCCOc1cccc(CC(=O)NNC(=O)[C@@H]2CCCO2)c1	153156153	OUPUGBQATAIRAF-AWEZNQCLSA-N	306.362	1.344	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCC(=O)c2cccs2)[nH]n1	153209891	KDIKCHVUSWSUOZ-UHFFFAOYSA-N	306.347	1.204	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNc1ccc(C(F)(F)F)nn1	153807254	DLSJQLNOYSIMCB-UHFFFAOYSA-N	320.271	1.528	50	20	DDGD	
CS(=O)(=O)CC1(CC(=O)NNc2cccc(F)c2)CC1	154265897	CBYPXMMILWMANE-UHFFFAOYSA-N	300.355	1.484	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)NC2CC=CC2)c1	154949727	KVDLARKQVWWETE-UHFFFAOYSA-N	303.362	1.731	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(Cl)s1)c1ccc[nH]1	7727338	MJNVRTYASBJHJG-UHFFFAOYSA-N	305.768	1.353	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc(OC)ccc2O)cc1	8987565	GVIPXVSMXUQNEG-UHFFFAOYSA-N	316.313	1.484	50	20	DDGD	
C[C@H](CNC(=O)NNc1cccc([N+](=O)[O-])c1)N(C)C1CC1	105266171	NINWKFKLCLZIMZ-SNVBAGLBSA-N	307.354	1.704	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCO[C@@H](c2ccccc2F)C1	109150758	XKSXFUYKVCSKSX-CYBMUJFWSA-N	323.368	1.986	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H](C)N2CCC(C)CC2)nn1	106335944	VFPCGFBSMRKBTH-ZDUSSCGKSA-N	306.414	1.532	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NNC(=O)c1cccc2ncccc12	106722358	RIFXZEZFWKLKFO-KHPPLWFESA-N	310.313	1.440	50	20	DDGD	
N#CCOc1ccc(CC(=O)NNC(=O)CC2CCCC2)cc1	111591564	LOQOUSQMFZGLEJ-UHFFFAOYSA-N	315.373	1.859	50	20	DDGD	
CN(C)N(C(=O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1	58581767	XWCQXVGRUAPVBE-JTQLQIEISA-N	316.810	1.446	50	20	DDGD	
CCOc1ncccc1CNC(=O)NNc1ccc(C)nn1	106258567	JDUHQLSFPNMGPJ-UHFFFAOYSA-N	302.338	1.405	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCc1nc2ccccc2[nH]1	103177327	LWTDZINWADPNKB-UHFFFAOYSA-N	317.393	1.872	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(Cl)cc2O)n1	60792665	UNNREGBTMSEFHV-UHFFFAOYSA-N	322.752	1.320	50	20	DDGD	
CN(C)N(C(=O)c1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1	68525834	UJSQWDAFUUSCLA-SNVBAGLBSA-N	318.345	1.071	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1cccn1C	302888317	JSRDJJADYLSUAT-UHFFFAOYSA-N	307.737	1.762	50	20	DDGD	
CC#CCCCC(=O)NNC(=O)COc1ccccc1OC	184278254	SPLQTOCROOPYPH-UHFFFAOYSA-N	304.346	1.415	50	20	DDGD	
COc1ccc2c(c1)OC[C@H](C(=O)NNc1ccnc(F)c1)C2	182503406	MNSUINQIHORZEG-LLVKDONJSA-N	317.320	1.924	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1cccc(-n2cccn2)n1	77014707	ONHPWYLPTNCZPM-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H](C)Cc2c(C)noc2C)n1	181320902	JAYYVHJCNYUQPZ-SECBINFHSA-N	319.365	1.952	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1cc(OC)c2c(c1)OCO2	211614814	TUNDTPYHVQXJBT-SDQBBNPISA-N	318.329	1.484	50	20	DDGD	
N#Cc1cc(NC(=O)NNC(=O)c2ccccc2O)ccc1F	184877042	JUNCANHDSOEUHP-UHFFFAOYSA-N	314.276	1.869	50	20	DDGD	
O=C(CCN1C(=O)CCC1=O)NNc1c(F)cccc1Cl	184662032	XXMIGJCVLNZIHI-UHFFFAOYSA-N	313.716	1.461	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NNC(=O)c2ccc(C)o2)n1	78344954	BLNCWZXTBZZZCN-UHFFFAOYSA-N	320.374	1.548	50	20	DDGD	
Cc1cc(NNC(=O)c2cnc3c(c2)c(C)nn3C)nc(C)n1	129072274	TVYJQYKSNVLFCK-UHFFFAOYSA-N	311.349	1.440	50	20	DDGD	
CC(Cl)(Cl)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	182324637	URLOSGTUBJVSDQ-VIFPVBQESA-N	319.144	1.168	50	20	DDGD	
CC(=O)NNC(=O)c1scc(C)c1I	188456814	PGECVVWNGLCBCY-UHFFFAOYSA-N	324.143	1.442	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)c2cccn2C)cccc1[N+](=O)[O-]	182842902	ONXRVSGMCOEUJZ-UHFFFAOYSA-N	317.305	1.708	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)[C@@H]1CCn2ccnc2C1	183680735	IJTACJRHPCXRHE-LLVKDONJSA-N	308.345	1.532	50	20	DDGD	
C[C@@H](C#N)CNC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	182807442	FZSQOGNYLSRAAL-JTQLQIEISA-N	304.354	1.248	50	20	DDGD	
NC(=O)NCCCCC(=O)NNc1ccc(C(F)(F)F)cn1	186903383	ZWAOGNRILZPEIB-UHFFFAOYSA-N	319.287	1.382	50	20	DDGD	
CC[C@H](C)Oc1cc(C(=O)NNC(=O)c2cccnc2)ccn1	183406765	QPRHGFMASJBBHS-NSHDSACASA-N	314.345	1.729	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1c(F)cc(F)cc1F	186252488	TWNLVRVJVJCLBG-UHFFFAOYSA-N	324.262	1.894	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCC1CCC1	47053486	ADSHIWVCXYMURM-JTQLQIEISA-N	309.341	1.724	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCc2cc(C)no2)cc1	194684841	HBTDKNAWJNGOOY-UHFFFAOYSA-N	302.334	1.690	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(N(C)C)cc2)nc1	133837426	MCOFQHUOAUUSLE-UHFFFAOYSA-N	314.345	1.691	50	20	DDGD	
CC(=O)NNC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1	47683899	MBDQVIFCEFSTIN-CQSZACIVSA-N	303.362	1.015	50	20	DDGD	
CCCNC(=O)CN(CCC)S(=O)(=O)CCCCCl	228326906	ZLACOFSMSKSZPX-UHFFFAOYSA-N	312.863	1.573	50	20	DDGD	
O=C(NNC(=O)c1ccc(OCC2CC2)cc1)c1ccncc1	194041116	CSYKVPIOPROIDX-UHFFFAOYSA-N	311.341	1.945	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(F)c(Cl)c2)n1	133638369	PGOAJKJBCUTNCZ-UHFFFAOYSA-N	324.743	1.754	50	20	DDGD	
O=C(CCC(=O)c1cccs1)NNC(=O)c1ccncc1	192742646	FIODZDVBVGPRIX-UHFFFAOYSA-N	303.343	1.567	50	20	DDGD	
N#Cc1ccc(CC(=O)NNC(=O)CCc2ccccc2)cc1	194771241	RAZMQVFDABBLDG-UHFFFAOYSA-N	307.353	1.881	50	20	DDGD	
CC[C@H](C)[C@H](C)NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	98120448	CMIRWOQLPCWYNL-UWVGGRQHSA-N	308.338	1.973	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)s1	246362154	KLDDLWDBDMIATB-TUAOUCFPSA-N	323.418	1.958	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N[C@H]1C[C@H]1C1CCCCC1	266798269	UBGREIZALPSHLU-GJZGRUSLSA-N	316.405	1.923	50	20	DDGD	
Cn1cnc2cc(C(=O)NNC(=O)NC3CCCC3)ccc21	269942302	DTIDYILZSYYAAS-UHFFFAOYSA-N	301.350	1.460	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)Cn2cnc3ccccc32)O1	268316636	JLMWNACFWLQDHO-FZMZJTMJSA-N	316.361	1.141	50	20	DDGD	
O=C(NNc1ncccn1)c1ccccc1CN1CCOCC1	265844977	SXCOIEVFYATJPV-UHFFFAOYSA-N	313.361	1.066	50	20	DDGD	
COC1(CC(=O)NNC(=O)[C@H](C)Oc2ccccc2F)CCC1	276699824	OPGAPBNYXPGURB-NSHDSACASA-N	324.352	1.700	50	20	DDGD	
O=C(NCCOCC(F)F)NNC(=O)c1ccccc1F	276215756	DQEFFLBIVUCYBY-UHFFFAOYSA-N	305.256	1.051	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NOCCC(F)(F)F	275115881	UCJJCSYYQIUKCK-UHFFFAOYSA-N	321.255	1.523	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(c2ncccc2F)CC1	270665021	PQMOEZYOCLCWMH-VAWYXSNFSA-N	304.325	1.313	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc(O[C@@H]2CCOC2)cc1	279003728	JZWUKZFTGIYVRJ-CQSZACIVSA-N	304.346	1.415	50	20	DDGD	
C[C@]1(C(N)=O)CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1	279859907	ADFASAINQBKMDU-LJEUOOAZSA-N	301.321	1.457	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H](C(=O)NNc1cnccn1)C(C)(C)C	274755600	PGOPGQHLTZMWEV-LLVKDONJSA-N	323.397	1.859	50	20	DDGD	
CCOC(=O)CCCNC(=O)NNc1cccc(C(=O)OC)c1	272704651	ZXWFALMJQFDOAS-UHFFFAOYSA-N	323.349	1.443	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc(Cn2cncn2)c1	277077098	JLOLZSDTMOIUSF-UHFFFAOYSA-N	317.353	1.024	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CCN(c2cc(C)cc(C)c2)C1=O	375983888	JQEHMDAILLVISA-CYBMUJFWSA-N	319.361	1.386	50	20	DDGD	
Cc1nc2cc(F)c(F)cc2n1CC(=O)NNC(=O)NC1CC1	280668903	UBJALKOEUQFXFM-UHFFFAOYSA-N	323.303	1.116	50	20	DDGD	
CN(C)[C@@H](C(=O)NNc1cccc(Cl)c1)c1cncn1C	280829311	SRGYFGLCGDHRDZ-CYBMUJFWSA-N	307.785	1.820	50	20	DDGD	
O=C(NC[C@@H]1CCOC1)NNc1ccc2c(O)nccc2c1	287483779	KIMHTJPDYOSIKE-JTQLQIEISA-N	302.334	1.603	50	20	DDGD	
CN(NC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)c1ccccc1	289156729	VXGWEFGTCRYCQI-ZDUSSCGKSA-N	308.403	1.369	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC[C@@](O)(C(F)(F)F)CC1	287818338	KSONSZAJHOVIQW-VMPCVLLUSA-N	306.284	1.736	50	20	DDGD	
CC(C)CCOCCNC(=O)NNC(=O)c1ccccc1F	299504751	PHKBWEQCIZELJL-UHFFFAOYSA-N	311.357	1.832	50	20	DDGD	
C[C@H](Oc1cccc(F)c1)C(=O)NNC(=O)[C@H]1CCCCO1	295283663	CVNPAOIBPSJNMN-GXFFZTMASA-N	310.325	1.310	50	20	DDGD	
Cc1cccc(F)c1S(=O)(=O)NNC(=O)[C@@H]1CCCCO1	296861770	YXKXXASDPAWJBV-NSHDSACASA-N	316.354	1.013	50	20	DDGD	
COc1cccc(O[C@@H](C)CNC(=O)NNc2ccncn2)c1	296548863	QTCXIDXEIZILLR-NSHDSACASA-N	317.349	1.579	50	20	DDGD	
CCN(CC)C(=O)c1ccc(NC(=O)NNC(=O)OC)cc1	298456403	RVPPQARYCYJQEO-UHFFFAOYSA-N	308.338	1.561	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNc2ccc3c(=O)[nH]ccc3c2)CCO1	803437400	PDPJVPLNYQLUDP-CMPLNLGQSA-N	301.346	1.786	50	20	DDGD	
CNc1nnc(CC(=O)NN(C)C(=O)OC(C)(C)C)s1	297339946	SKTZOSFDXWNGKZ-UHFFFAOYSA-N	301.372	1.020	50	20	DDGD	
CC(C)CCC(=NNC(=O)Cc1cc(O)nc(O)n1)C1CC1	802711230	OZVCKVONIHNXGF-UHFFFAOYSA-N	306.366	1.749	50	20	DDGD	
CC1(C(=O)NNC(=O)Nc2ccc(OC(F)F)cc2)COC1	802045995	WQGQPOZJYMTKKA-UHFFFAOYSA-N	315.276	1.477	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1ccc2c(c1)C(=O)OC2	808889006	LVZIFVCZRRREMB-UHFFFAOYSA-N	317.223	1.462	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C(C)(F)F)c1C	292745979	VCIBZDPKLDHULX-JTQLQIEISA-N	300.305	1.873	50	20	DDGD	
CCOc1ccc(NNC(=O)NCC2([S@](C)=O)CC2)cc1	298020280	PRSRJTWTTQBSNE-NRFANRHFSA-N	311.407	1.623	50	20	DDGD	
O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)NC1CC1	294654326	HRIBUXNZNQGJNS-UHFFFAOYSA-N	320.305	1.051	50	20	DDGD	
O=C(NC[C@@H]1CSCCS1)NNc1ncc(F)cc1F	297066618	AEIKTSWDYYVVNX-MRVPVSSYSA-N	320.390	1.835	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H](F)C(F)(F)F)c1	292612477	GYDJGUQRKBNKLW-NSHDSACASA-N	322.258	1.730	50	20	DDGD	
O=C(NNC(=O)c1ccc(-n2cnnc2)cc1)Nc1ccccc1	801989008	AHUZQBQADGUGGW-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)n1C	815849486	CGNHAXMUTDWUAM-UHFFFAOYSA-N	318.289	1.477	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H]2CCCSC2)c1	810549301	KDGFNHHSFKWZMP-CYBMUJFWSA-N	322.430	1.973	50	20	DDGD	
CC(C)(C)n1cnc(C(=O)NNC(=O)NC2CCCCC2)n1	812534819	RUYGOHJCKRTSBO-UHFFFAOYSA-N	308.386	1.310	50	20	DDGD	
CC(=NNC(=O)COc1ccc(Cl)cc1)c1cc(CO)on1	812223917	SKCNPABPAQYAKK-UHFFFAOYSA-N	323.736	1.740	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)on1	816818225	UVDKYOXXPAZEDR-SNVBAGLBSA-N	321.308	1.280	50	20	DDGD	
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NN(C)C2CC2)c1	819642440	HRNTVOUCWIBVSK-UHFFFAOYSA-N	304.350	1.342	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CNc1ccccc1C(N)=O	816629016	UCBJQDYGHCMFPY-UHFFFAOYSA-N	304.177	1.460	50	20	DDGD	
C#CCOc1cccc(NC(=O)NNc2ncncc2F)c1	814634843	JTUFRVMNKQTPQP-UHFFFAOYSA-N	301.281	1.776	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2CCc3ccc(C#N)cc32)n1	811634447	OWQHYUKBJADUAW-UHFFFAOYSA-N	307.357	1.838	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncncc1F)c1nnc2ccccn12	814275101	NTTAPRRNFCNKGJ-MRVPVSSYSA-N	316.300	1.046	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NN=Cc1c[nH]c(C(=O)O)c1	814748313	KCGIODYHLCFXQA-SECBINFHSA-N	319.292	1.770	50	20	DDGD	
COc1ccc(NNC(=O)COc2cc(F)cc(F)c2)nc1	811320572	RNVIGVUOYBFYEG-UHFFFAOYSA-N	309.272	1.891	50	20	DDGD	
CCC(CC)n1nc(C)cc1C(=O)NNC(=O)c1ccnnc1	817693563	QUTQXTVTUQLUJR-UHFFFAOYSA-N	316.365	1.417	50	20	DDGD	
COC(=O)[C@@H](CNC(=O)/C(C#N)=C/c1cnn(C)c1)CC(C)C	491176472	PUMKKVULHAKBAC-YGLIYXGISA-N	318.377	1.279	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=S)NCC2CCC2)cc1	727270135	CLICZWHIKBIMFR-UHFFFAOYSA-N	307.419	1.994	50	20	DDGD	
CN(NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O)C(N)=O	494539419	ODPVZCRYXRQAKF-UHFFFAOYSA-N	324.337	1.395	50	20	DDGD	
COC(=O)[C@H](C)CN(C(=O)/C(C#N)=C/c1cnn(C)c1)C1CC1	491138529	ZGPFQICSTAYWIZ-XXLSNGBASA-N	316.361	1.127	50	20	DDGD	
Cc1ncc(CN(C)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)s1	827315942	WPDAEQYTWHGCNC-KCJUWKMLSA-N	312.395	1.049	50	20	DDGD	
CC(=O)NNC(=O)c1ccccc1OCCN1CCCC[C@@H]1C	729510052	PSXOYPQKQJQYMM-ZDUSSCGKSA-N	319.405	1.721	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)Cn2ccc3ccccc32)CO1	825937811	CQEIRGNPUAWLKP-AAEUAGOBSA-N	316.361	1.149	50	20	DDGD	
CC(C)CCn1cc(C(=O)NN(C)C(=O)OC(C)(C)C)nn1	496523111	HGDFUJXSLVSKCV-UHFFFAOYSA-N	311.386	1.836	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc(C3OCCO3)cc2)n1	820522977	CSHJQRFWUZYIFF-UHFFFAOYSA-N	314.345	1.896	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)/C=C\[C@@H]2CCOC2)cc1	493558935	QAQPZMKKIZJQTR-LLPBQKLSSA-N	304.346	1.114	50	20	DDGD	
CN(C[C@](C)(O)CN1CC=C(C#N)CC1)C(=O)OC(C)(C)C	497288754	ZWRCSDWYWBSVME-INIZCTEOSA-N	309.410	1.760	50	20	DDGD	
O=C(O)COc1ccc(C=NNC(=O)Cc2cccnc2)cc1	728784324	GGPZYFJLHRPSEJ-UHFFFAOYSA-N	313.313	1.238	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(F)cc(Br)c1F	822558482	UGFJINZFNLKGIN-LURJTMIESA-N	323.137	1.685	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@](C)(O)COC)cc1	490663918	MMIPBKVLVTWMFS-ZGUWOUCSSA-N	318.373	1.506	50	20	DDGD	
COc1cccc(C(=O)NNC(=S)NCC2CCC2)c1OC	727866879	DMTRDFNHDOMGCT-UHFFFAOYSA-N	323.418	1.613	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCN2C(=O)OC[C@H]2C1	490873032	CRKOZTIZUPXUSQ-YRBHFNIASA-N	315.304	1.396	50	20	DDGD	
CCN(CC(=O)NNC(=O)C(C)C)C[C@H](O)c1ccc(C)cc1	827939010	XEWBKLFTMHXJRT-HNNXBMFYSA-N	321.421	1.154	50	20	DDGD	
O=C(c1ccn(-c2ccc(Cl)cc2)n1)N1CC[C@H](B(O)O)C1	585065412	XWHIOERAKBVPFC-JTQLQIEISA-N	319.557	1.215	50	20	DDGD	
CC(C)(C)Cc1ccccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1	827016526	SONZUSAKWZBCQT-CYBMUJFWSA-N	317.389	1.315	50	20	DDGD	
CC[C@@H](Cc1cccc(C)c1)C(=O)NNC(=O)COCCOC	825135864	AMZUCONOTRNHMK-HNNXBMFYSA-N	322.405	1.374	50	20	DDGD	
Cc1cc(F)ncc1C=NNC(=O)CNC(=O)OC(C)(C)C	901214463	AXHARDWDMNHUCE-UHFFFAOYSA-N	310.329	1.504	50	20	DDGD	
CC[C@@H](Cc1ccc(C)cc1)NC(=O)c1cccc(B(O)O)c1	584955832	QEFGLQMNUTZBDF-KRWDZBQOSA-N	311.190	1.426	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cccc(N2CCCC2)c1	826753676	HWNGYRWTVJKKAC-UHFFFAOYSA-N	313.361	1.393	50	20	DDGD	
CC[C@@H](O)[C@H](C)C(=O)NNC(=O)c1cccc(OC(F)F)c1	900561421	IYNDOGJPPITLQA-GZMMTYOYSA-N	316.304	1.456	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(Cl)cc2c1OCC(=O)N2	495840144	BSFIFBXKOZHMKU-UHFFFAOYSA-N	314.685	1.063	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(Br)c(O)nc1C	495744429	HQTHGZDQDRBGRH-UHFFFAOYSA-N	318.127	1.249	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc(S(C)(=O)=O)o1	733126179	WQWZLNBAVWCBSC-UHFFFAOYSA-N	322.342	1.066	50	20	DDGD	
Cc1csc(C=NNC(=O)CCNC(=O)OC(C)(C)C)n1	494950732	IKGWYYDJHOJVRW-UHFFFAOYSA-N	312.395	1.816	50	20	DDGD	
Cn1ncc(CCCNC(=O)[C@]2(C)C[C@H]2Br)n1	908420292	UIVQQXJZFBMPDC-MWLCHTKSSA-N	301.188	1.037	50	20	DDGD	
CC(=O)N(Cc1ccc(NC(=O)NNC(=O)O)cc1)C(C)C	736131860	YMOQQWWQTFGSNG-UHFFFAOYSA-N	308.338	1.748	50	20	DDGD	
COc1ccc2c(c1)CC[C@H](C(=O)NNC(=O)NC1CC1)C2	900383222	BUPRDVKWBDAYID-LBPRGKRZSA-N	303.362	1.293	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2CC[C@H](c3cccc(F)c3)C2)c1	585039909	XCPMOSSNQNRJBM-MAUKXSAKSA-N	313.181	1.931	50	20	DDGD	
CCCCCn1cc(CNCc2ccccc2B(O)O)c(C)n1	585033372	BPOBJLWZMHNTKA-UHFFFAOYSA-N	315.226	1.351	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cc(Cl)c2c(c1)OCCO2	732143049	PJCANINSAPFQLL-UHFFFAOYSA-N	310.737	1.672	50	20	DDGD	
O=C(C[C@@H]1CCOC1)NNC(=O)Cn1ccc2ccccc21	739555514	KZYDGDRKEMWOIE-LBPRGKRZSA-N	301.346	1.215	50	20	DDGD	
COc1ccc(C=NNC(=O)NC2CCCC2)c(O)c1OC	901176422	LNNQJEMUIJZNAI-UHFFFAOYSA-N	307.350	1.985	50	20	DDGD	
C=C(CBr)COC(=O)/C(C#N)=C/c1cnn(C)c1	837973063	ZVSVHROJJVRFNF-QDEBKDIKSA-N	310.151	1.821	50	20	DDGD	
Cc1ccc(C)n1C1CCN(CC(=O)NNC(=O)C2CC2)CC1	733194617	DCTFRHCUEZENFA-UHFFFAOYSA-N	318.421	1.299	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cccc([C@@H]2CCOC2)c1	833243650	VTKSZACMNXICOZ-HUUCEWRRSA-N	318.373	1.521	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc(C(=O)O)cc1	738115056	HNKJUCYZBMICOL-UHFFFAOYSA-N	314.297	1.468	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2ncon2)CCN1Cc1ccccc1	901290686	ZKTPPUASENGFKB-GFCCVEGCSA-N	313.361	1.840	50	20	DDGD	
C[C@H](CNC(=O)[C@@]1(C)C[C@H]1Br)Cn1cccn1	906218846	OILYWKPBTRZBQF-FOGDFJRCSA-N	300.200	1.809	50	20	DDGD	
CCOC[C@H]1CCCN([C@H](C)C(=O)NNC(=O)CC(C)C)C1	733797080	OQBZJGMJXRZYSY-KGLIPLIRSA-N	313.442	1.317	50	20	DDGD	
CSc1cccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)n1	836616703	VAGZKCHUNOPYCU-VIFPVBQESA-N	310.379	1.525	50	20	DDGD	
OB(O)c1ccccc1CN[C@H]1CCC[C@@H]1Oc1ccccc1	585022862	BNCKNVFBHNFISK-ROUUACIJSA-N	311.190	1.456	50	20	DDGD	
N#CCNC(=O)COC(=O)CCCC[C@H]1CCSS1	731237864	QNKBQLLHQUNYBX-JTQLQIEISA-N	302.421	1.883	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H]1CCC[C@@H](C(=O)O)C1	832588981	JBQLLOJMDOXLBI-WDEREUQCSA-N	320.345	1.347	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNc1ccccc1C(=O)O	833443342	WJGWJLXGETWHLJ-UHFFFAOYSA-N	323.349	1.743	50	20	DDGD	
O=C(O)[C@@H]1CCC[C@@H](C(=O)NNc2ccccc2[N+](=O)[O-])C1	833185589	XWMBTHKIYDVQMJ-NXEZZACHSA-N	307.306	1.929	50	20	DDGD	
CCN(C[C@@H]1CCN(S(=O)(=O)CCl)C1)CC(F)(F)F	830778278	IXCYCUMJLOTPEP-VIFPVBQESA-N	322.780	1.719	50	20	DDGD	
CNC(=O)CCCN(C)S(=O)(=O)c1ccc(CCl)cc1	914287433	SSDXXCXSDJYGMQ-UHFFFAOYSA-N	318.826	1.572	50	20	DDGD	
COC(=O)c1coc(CNC(=O)[C@]2(C)C[C@H]2Br)n1	911896136	BKBILZVUCXHYAT-RDDDGLTNSA-N	317.139	1.251	50	20	DDGD	
COc1ccccc1OC[C@H](C)CNS(=O)(=O)CCl	830981885	WHUWGFUZTWAETO-SNVBAGLBSA-N	307.799	1.826	50	20	DDGD	
CC(C)Cn1ncc2cc(C(=O)NN(C)C[C@H](C)O)cnc21	910167687	JFLYUUYJQGJYRH-NSHDSACASA-N	305.382	1.045	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)/C(F)=C\C2CCCCC2)CC1	830240732	LYEIPVKOOKLKPT-ACCUITESSA-N	312.389	1.408	50	20	DDGD	
CO[C@H](C=NNC(=O)c1ccc(C#N)cc1)C1CCOCC1	834949841	NTGVYQPORYPMOH-OAHLLOKOSA-N	301.346	1.715	50	20	DDGD	
COCCC1(C(=O)NNc2cccc(C(=O)OC)c2F)CC1	837060645	FZDZWEATISOSAH-UHFFFAOYSA-N	310.325	1.872	50	20	DDGD	
Cc1c(NC(=O)NNc2ncncc2F)cnn1CC(C)C	836483331	ROHHEKHLNCMEAX-UHFFFAOYSA-N	307.333	1.925	50	20	DDGD	
Cn1c(=NNC(=O)Cn2ccccc2=O)sc2ccccc21	916548148	ARTKQNFKZFYDOV-UHFFFAOYSA-N	314.370	1.034	50	20	DDGD	
O=C(CSc1cccc[n+]1[O-])NNc1cccc([N+](=O)[O-])c1	748004644	MDLPNEBIFKMENN-UHFFFAOYSA-N	320.330	1.464	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cn1cnc2ccccc21)C(F)(F)F	742472802	UBQZEIQEAICWHQ-MRVPVSSYSA-N	314.267	1.382	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NC[C@H](C)C(C)(C)C	748633365	LYXWSDPXCSSZJD-WDEREUQCSA-N	303.403	1.051	50	20	DDGD	
CCOc1cccc(S(=O)(=O)NCCCSC#N)c1	916992194	HCLSOLUTCUPNBP-UHFFFAOYSA-N	300.405	1.968	50	20	DDGD	
CC(C)c1ccccc1C=NNC(=O)[C@H]1CCS(=O)(=O)C1	848404175	FYVQXLPKMHFBNR-ZDUSSCGKSA-N	308.403	1.695	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N[C@H]2CCCC[C@H]2CN)cc1	841948394	KEZTXTIPQRBHKH-KBPBESRZSA-N	315.377	1.020	50	20	DDGD	
N#CSCCCNS(=O)(=O)c1cnn(CC(F)F)c1	916985647	LSLCCRYTLZTHKB-UHFFFAOYSA-N	310.351	1.031	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1cccc(O)c1Br	841638062	MFQQDIPQBDFVFE-UHFFFAOYSA-N	301.140	1.376	50	20	DDGD	
C[C@]1(CNC(=O)NNc2ncnc3ccsc23)CCCNC1	841971260	VRRUYRPJIUUPEH-AWEZNQCLSA-N	320.422	1.707	50	20	DDGD	
NC[C@H](NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)C1CC1	841946310	JEVJSDHMPWKWTE-IAHCOWJPSA-N	320.437	1.271	50	20	DDGD	
CC(=O)NNC(=O)c1c(C)nn(Cc2ccc(Cl)cc2)c1C	748838020	JFZUCDYETLDSTR-UHFFFAOYSA-N	320.780	1.983	50	20	DDGD	
O=C(CCc1ccccc1O)NN=Cc1cnc2cnccn12	746369783	AYTFOBFBTVRTLR-UHFFFAOYSA-N	309.329	1.518	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(C)(C)c1cccc(F)c1	843650638	FSBFUQGNGCNUSE-GXFFZTMASA-N	308.353	1.676	50	20	DDGD	
COc1ncccc1NC(=O)NNC(=O)c1ccccc1F	918541672	NKZDNVAZLIMNQB-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)cc1	846376420	ZMHCKKHEIHDOAG-FIXISWKDSA-N	306.362	1.659	50	20	DDGD	
O=C(NCc1cccc(F)n1)NNC(=O)c1ccccc1O	749245094	VKKUYAWWLHQKTK-UHFFFAOYSA-N	304.281	1.071	50	20	DDGD	
CC(C)c1ncc(S(=O)(=O)NN(C)C(=O)OC(C)(C)C)[nH]1	841551686	DHCPZKQGWIJUMZ-UHFFFAOYSA-N	318.399	1.593	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1cc(C(=O)O)c(C)nc1C	842561632	LNRGXCWTDCCEIZ-VXGBXAGGSA-N	319.361	1.662	50	20	DDGD	
Cc1ccoc1C=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1	743429540	RTKHDVPHHSIWDO-MGPQQGTHSA-N	307.394	1.783	50	20	DDGD	
Cn1c(NNC(=O)c2ccncc2F)nc2ccccc2c1=O	741216379	UALORAOACAKFLY-UHFFFAOYSA-N	313.292	1.225	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2C[C@@H](C)n3ncnc32)cc1	841615903	DAVUUMTYYZDMOU-SNVBAGLBSA-N	312.333	1.010	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H](C)n1cccn1	920437406	UKXAXXCGJFGZFW-SNVBAGLBSA-N	319.390	1.471	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C1CC[C@H](C(=O)O)c2ccccc21	842561579	RTEQLKMHBJYLHL-MJVIPROJSA-N	316.357	1.894	50	20	DDGD	
NC(=O)C1(C(=O)NNc2ccc(Br)cc2F)CC1	748199716	YJVOKKGGUAITCH-UHFFFAOYSA-N	316.130	1.297	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H]2CCCNC2)c1F	841923834	PYFKBRWGVYWXLP-SNVBAGLBSA-N	324.356	1.238	50	20	DDGD	
O=C(N1C[C@@H]2CNC[C@@H]2C1)[C@@]12CC[C@@H](C[C@@H]1Br)C2	846679609	FTCVCILTMLGTJN-BYNIDDHOSA-N	313.239	1.618	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CO)ccc1Oc1cccnc1	756213522	PCDHORXIAXFWNP-UHFFFAOYSA-N	316.317	1.327	50	20	DDGD	
C[C@H](N(C)CC(=O)NNC(=O)c1cccc(C#N)c1)C(C)(C)C	756486443	BTQFVMFLZFEBOM-LBPRGKRZSA-N	316.405	1.686	50	20	DDGD	
CCCNC(=O)CCC(=O)NNc1cccc(C(=O)OC)c1C	855627614	UVXAAIXNNWVIDW-UHFFFAOYSA-N	321.377	1.531	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)C[C@@H](C)c1ccncc1)C1CC1	855099033	QCWVKVKXLSGDJP-MNOVXSKESA-N	306.435	1.869	50	20	DDGD	
CCOC(=O)N1CC[C@@H](NC(=O)NNc2ccc(C)c(F)c2)C1	854002911	YUEKPEQBVNTUQL-GFCCVEGCSA-N	324.356	1.991	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)cn1	855829152	HQYRTDSBAYMTFH-UHFFFAOYSA-N	320.393	1.094	50	20	DDGD	
C[C@H]1CC[C@@H](CC(=O)OCC(=O)NNC(=O)c2ccccc2)C1	759415873	JGPZMXCPIRCQCU-QWHCGFSZSA-N	318.373	1.817	50	20	DDGD	
COc1cccc(NNC(=O)[C@H]2C[C@H](C)Cc3c[nH]nc32)n1	857862847	LZUVMLSLSHVZBX-KOLCDFICSA-N	301.350	1.623	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cnc3[nH]nnc3c2)cc1Cl	756211455	KLSZEHDUOKRQKF-UHFFFAOYSA-N	313.708	1.635	50	20	DDGD	
CC(=O)NNC(=O)c1cc(C)nc(-c2ccc(Cl)cc2)n1	752609586	CXCRHEQPBYGMOI-UHFFFAOYSA-N	304.737	1.886	50	20	DDGD	
O=C(NN=C1CCc2c(F)cccc21)C(=O)Nc1ccccn1	758387558	OWRWURFGSXXIIN-UHFFFAOYSA-N	312.304	1.626	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCCN1CCCOCC1	854092945	ZVCHYRMCXDQDAR-UHFFFAOYSA-N	310.373	1.483	50	20	DDGD	
C[C@]1(CNC(=O)N[C@H]2CCCCNC2=O)C[C@H]1Br	856717895	HABRDWBXHOKKPX-YGOYTEALSA-N	318.215	1.128	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2c(C)cc(C)nc2O)nc1	759739953	UTBAIHMEFRDJJY-UHFFFAOYSA-N	316.317	1.343	50	20	DDGD	
Cc1ccc(NNC(=O)Cc2nnn(C(C)(C)C)n2)cc1F	856233459	OECBVKKBWUXHBQ-UHFFFAOYSA-N	306.345	1.561	50	20	DDGD	
CC[C@@H]1CC(=NNC(=O)CNC(=O)c2cccs2)CCO1	756826264	FNCDUDBVOZDCLH-LLVKDONJSA-N	309.391	1.539	50	20	DDGD	
O=C1NCC2(CCN(C[C@@H](CBr)C3CC3)CC2)O1	859268834	HASLEPDGQQPWQX-LLVKDONJSA-N	317.227	1.982	50	20	DDGD	
O=C(CO)NNC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3	753452354	RFMKDOYHFPBVOT-UHFFFAOYSA-N	301.346	1.190	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cccc(F)n1)C1CCC(O)CC1	856426752	HLMDBPISQUYTSA-UHFFFAOYSA-N	323.368	1.559	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)c1	857149175	PWGAJWHALCVLJY-YNEHKIRRSA-N	302.378	1.528	50	20	DDGD	
CC(C)(CO)N1CCN(C[C@@H](CBr)C2CC2)CC1	859192870	FQOPVXPKYSTYTA-CYBMUJFWSA-N	319.287	1.796	50	20	DDGD	
CC(=O)Nc1ccc(S(=O)(=O)N2CC=C(C#N)CC2)c(F)c1	759082216	TXDWAJBZHWTLEQ-UHFFFAOYSA-N	323.349	1.628	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCCOc1ccc(OC)cc1	854929734	PHYRYSNTKHRTPO-UHFFFAOYSA-N	311.407	1.322	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1c(C)nn(-c2ccccc2)c1C	854927748	FPPJLRKHNSJLNX-UHFFFAOYSA-N	317.418	1.570	50	20	DDGD	
C[C@]1(CNC(=O)N2CCn3cncc3C2)C[C@H]1Br	856957741	HGECJESFPFSPNR-ZYHUDNBSSA-N	313.199	1.582	50	20	DDGD	
COC(=O)C1(CNC(=O)NC[C@]2(C)C[C@H]2Br)CC1	856849962	UGDCTBNYYZLIEZ-KCJUWKMLSA-N	319.199	1.412	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC12CCC2)c1ccc2c(c1)OCCO2	759687644	CRUBJHAKUYNXJV-NSHDSACASA-N	302.330	1.409	50	20	DDGD	
CC1(NC(=O)NC[C@@]2(C)C[C@@H]2Br)CCNCC1	857105371	KHOHOXWBNAZXOV-GXSJLCMTSA-N	304.232	1.601	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@H]1CCCC[C@H]1C(F)(F)F	865046906	RMOHCRKRHRNEOG-VHSXEESVSA-N	323.315	1.428	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNC(=O)c1cc(C)cs1)C(C)(C)C	862480394	UKPRJCVPLFWNGK-LLVKDONJSA-N	311.407	1.368	50	20	DDGD	
C[C@@H](NC(=O)C(C)(C)C)C(=O)NNCC(F)(F)C(F)(F)F	863091525	KHETWKLTBFZLQO-ZCFIWIBFSA-N	319.274	1.356	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ncsc1-c1ccccc1	768261292	SIDZHUDJKZAPMS-UHFFFAOYSA-N	305.359	1.342	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2CCN2C(C)(C)C)c1	862992068	BLZQPOCNJXFLTP-AWEZNQCLSA-N	318.421	1.386	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H]1CCSC1	761836785	ROGLFBPFCMWBRD-JTQLQIEISA-N	304.375	1.157	50	20	DDGD	
COCCN1CC[C@@H](NC(=O)[C@@H](Br)C(C)(C)C)C1	768031107	OTFWGBYCKJTNRJ-GHMZBOCLSA-N	321.259	1.633	50	20	DDGD	
CCOC[C@@H]1CN(C(=O)/C(C#N)=C/c2ccc(O)cc2)CCO1	862957100	KETGWRSDXUNSTF-IDJPSDCMSA-N	316.357	1.563	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)C1CSC1	864488503	NZVFWZNCSPUNJW-UHFFFAOYSA-N	318.402	1.109	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cn(C2CC2)nn1	860326276	WHABPIDJQGMMRG-UHFFFAOYSA-N	309.276	1.971	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cccc(OC(F)F)c1)N(C)C	765406370	NJEXYZAOYFYGHD-LLVKDONJSA-N	315.320	1.389	50	20	DDGD	
COc1ccc(CCC(=O)NN=C2CCN3CCC[C@H]23)cc1	765571525	LKWJXNMUSOPBOS-MRXNPFEDSA-N	301.390	1.968	50	20	DDGD	
O=C(CCCC[C@H]1CCSS1)NCCN1CC[C@H](O)C1	863829057	AQPOMVGDPWXFEL-STQMWFEESA-N	318.508	1.883	50	20	DDGD	
CN(NC(=O)c1cc(Br)cn2ccnc12)C1CC1	868961918	GPCNOUMBTMUQDV-UHFFFAOYSA-N	309.167	1.836	50	20	DDGD	
CC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)c1cscn1	767897300	VVQAJRCYORUOKU-UHFFFAOYSA-N	305.319	1.788	50	20	DDGD	
CCn1nc(C)c(C(=O)NNCC(F)(F)C(F)(F)F)n1	863098783	DLMCWQBPZVNKOS-UHFFFAOYSA-N	301.219	1.038	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cnc(C3CC3)s2)n1	761805058	LYRRTNXDYLGPRP-UHFFFAOYSA-N	303.391	1.984	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cccc(NC(C)=O)c1	764595764	BQXZTHXDBIISEL-UHFFFAOYSA-N	316.321	1.592	50	20	DDGD	
O=C(NNC(=O)C1CCC(O)CC1)c1nc2ccccc2s1	874914377	UPIAVQVDECEIII-UHFFFAOYSA-N	319.386	1.608	50	20	DDGD	
CCCn1c(C=NNC(=O)C[n+]2ccccc2)nc2ccccc21	1115862829	HENSTDNSKDEPGQ-UHFFFAOYSA-O	322.392	1.884	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccnc(N(C)C)c1	772846970	FVSMAQWLRAIAQA-UHFFFAOYSA-N	300.366	1.818	50	20	DDGD	
CCn1nccc1NC(=O)NNc1cccc(S(C)(=O)=O)c1	776479676	UPLQRGSVSQIRJX-UHFFFAOYSA-N	323.378	1.455	50	20	DDGD	
COc1cc(C)nc(NNC(=O)/C=C/c2ccc(O)c(O)c2)n1	779531624	OZMUNQDWWWOICO-GQCTYLIASA-N	316.317	1.361	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1nc2c(s1)CCCC2	872401046	DFMPTQUOCOKPTM-UHFFFAOYSA-N	311.407	1.525	50	20	DDGD	
O=C(Cn1nc(C(F)F)cc1C1CC1)NNC(=O)C1CCC1	874455657	NKZRJZQOKLYHKW-UHFFFAOYSA-N	312.320	1.646	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)N[C@@H](C)C(=O)N(C)OC	875894501	QTOZWEJIUAYJBG-NSHDSACASA-N	308.382	1.592	50	20	DDGD	
CC(C)CCO[C@@H](C)C(=O)NNC(=S)Nc1ccccn1	874956638	KBZSTVLWCXKZHM-NSHDSACASA-N	310.423	1.850	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)COc1ccc(C)c(C)c1	772852391	UFQSORJNPQRJGT-UHFFFAOYSA-N	316.361	1.360	50	20	DDGD	
O=C(NNC(=O)C1=CCCCCC1)C(=O)Nc1ccccn1	775870719	BDGINMAPOYRBRA-UHFFFAOYSA-N	302.334	1.058	50	20	DDGD	
O=C(NNC(=S)Nc1ccc(F)cc1F)[C@@H]1CCCCO1	772219076	PGPSXYOILFZVED-NSHDSACASA-N	315.345	1.852	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)CNC(=O)c2cccs2)C1	776317525	UCXWXZRTUOOING-VHSXEESVSA-N	309.391	1.062	50	20	DDGD	
CCc1cnccc1[C@@H](C)NC(=O)NNC(=O)C1CCOCC1	883551687	VVKXNMQHHGWOEZ-LLVKDONJSA-N	320.393	1.462	50	20	DDGD	
COc1ccc(C=NNC(=O)CNC(=O)OC(C)(C)C)c(O)c1	777904655	UHZFUDJFWZKRKT-UHFFFAOYSA-N	323.349	1.376	50	20	DDGD	
C[C@@H]1C[C@H]2CC[C@H](C(=O)NNC(=O)c3ccccc3F)CN2C1	1123573969	UGRDFHOSJCKFLR-FRRDWIJNSA-N	319.380	1.707	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)n1cc(-c2ccccc2F)nn1	881292482	BYXNGQCHKRFRGA-SECBINFHSA-N	305.313	1.203	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H]2CCC[C@@H]2OC)cc1	1120647182	DSROMVBYZPPQGZ-STQMWFEESA-N	307.350	1.663	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(C)c(C)c1Cl	783047824	VWQRNCIRVYWAAX-UHFFFAOYSA-N	313.785	1.937	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1ccc(Cl)nc1F	882664743	HLJNCVJEHDHAJD-UHFFFAOYSA-N	309.750	1.230	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2C[C@H](CO)C2)cc1	886898806	RGUBBTMOJCLPFG-RTFGFDBOSA-N	300.358	1.879	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CC(C)(C)OC)cc1OC	781846122	HHYYFZXLUUUYOM-UHFFFAOYSA-N	310.350	1.280	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1ncncc1Cl)C1CCCC1	781818925	QYTNKFXVLLRTLC-LLVKDONJSA-N	311.773	1.268	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2COCc3ccccc32)cc1	782177599	PUWDNTZLJQOMLN-UHFFFAOYSA-N	323.352	1.984	50	20	DDGD	
Cc1cscc1CNC(=O)NNC(=O)Cc1cccnc1	787337327	JEHITITUIIPIRM-UHFFFAOYSA-N	304.375	1.525	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1ccc(OCC)cc1C	782476840	AUQMVACJUTXDNK-UHFFFAOYSA-N	315.395	1.248	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCOC(F)(F)F	788837069	HDZBBMAIHLZVGK-UHFFFAOYSA-N	305.256	1.475	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2ccc3ccccc3n2)on1	781431011	ISXLNMFXVBLAHE-UHFFFAOYSA-N	312.285	1.766	50	20	DDGD	
CC(C)Cc1cc(NC(=O)C(=O)NNc2ccccn2)n(C)n1	784796170	IMWGYPAPHRLLIP-UHFFFAOYSA-N	316.365	1.095	50	20	DDGD	
CS(=O)(=O)c1cc(C(=O)NNc2ccccn2)ccc1F	786526209	NUKXVCINIHCSHO-UHFFFAOYSA-N	309.322	1.381	50	20	DDGD	
O=C(Cc1ccn(CC(F)(F)F)n1)NCC(Cl)Cl	899119695	ARQACLSRBBJZLN-UHFFFAOYSA-N	304.099	1.908	50	20	DDGD	
CNC(=O)C1(C(=O)NNC(=O)Nc2ccccc2C)CCC1	798313916	XDSUATIUFOTULR-UHFFFAOYSA-N	304.350	1.064	50	20	DDGD	
COc1ccccc1CONC(=O)NNc1ccc(F)cn1	798560753	URPITMIMNYFNDI-UHFFFAOYSA-N	306.297	1.987	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@](C)(O)C(C)C)cc1	792802924	LYJJSBRIMQXZHJ-INIZCTEOSA-N	308.378	1.182	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)c1coc(S(N)(=O)=O)c1	799756145	ZJMRASHZDKRPOC-UHFFFAOYSA-N	323.374	1.555	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ncccc2C)c(C)c1	792376553	WLQLESZVUJHHTF-UHFFFAOYSA-N	314.345	1.789	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2c(C)cnn2C)o1	794899329	JJIIEZCKFDZDCE-UHFFFAOYSA-N	317.393	1.927	50	20	DDGD	
CC(C)OC(=O)CC[C@H](C)NC(=O)NNC(=O)C(C)(C)C	792305345	WPZYJVXYWYSFNF-JTQLQIEISA-N	301.387	1.483	50	20	DDGD	
N#CCc1cccc(S(=O)(=O)NNC(=O)C2CCCC2)c1	794579805	PFSNLEJUQJHYGF-UHFFFAOYSA-N	307.375	1.252	50	20	DDGD	
CC(=NNC(=O)Cc1ccncc1)c1ccc(N)c([N+](=O)[O-])c1	799110745	CRHGSHWGFQXCTB-UHFFFAOYSA-N	313.317	1.655	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCC1([S@](C)=O)CC1	799777135	SQGNWBFYSPNDTQ-FQEVSTJZSA-N	317.842	1.380	50	20	DDGD	
CO[C@@H](C(=O)NNc1cc(F)c(F)cc1F)c1cnn(C)c1	798983167	XGIOUHAISMPMQO-GFCCVEGCSA-N	314.267	1.668	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2C[C@H](C)S[C@@H](C)C2)n1	793220866	SJBXRCPTYSZIIL-QWRGUYRKSA-N	308.407	1.570	50	20	DDGD	
Cc1cccnc1NNC(=O)COCCOc1ccccc1	791226161	WJPVMAHDZXLUDY-UHFFFAOYSA-N	301.346	1.929	50	20	DDGD	
COC(=O)C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1	1318903162	QFOWMVUYRQSBHZ-UHFFFAOYSA-N	322.173	1.484	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCCC1CCOCC1	1318516703	LVVLMYZJMNINAH-UHFFFAOYSA-N	319.405	1.766	50	20	DDGD	
CCNC(=O)CCCC(=O)NNC(=O)c1ccccc1Cl	1326514500	OCQVUYIBCXDARV-UHFFFAOYSA-N	311.769	1.407	50	20	DDGD	
CCSCCCNC(=O)NNc1nncc(N)c1Cl	1321382215	CXFPKNCCUVDRJK-UHFFFAOYSA-N	304.807	1.482	50	20	DDGD	
Nc1cnnc(NNC(=O)c2c(F)ccc(F)c2F)c1Cl	1320382050	VAHUZFYZGQORJF-UHFFFAOYSA-N	317.658	1.886	50	20	DDGD	
COc1ccc(C(=O)NN=C2CCC[C@H](S(C)(=O)=O)C2)cc1	1321115544	JCFYWUSCUPRDMQ-AWEZNQCLSA-N	324.402	1.768	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCC(=O)N2CCCCC2)c1	1329140050	IWAPPRNTEGKHOE-UHFFFAOYSA-N	324.406	1.013	50	20	DDGD	
C[C@@]1(CNC(=O)c2cnn3ccncc23)C[C@@H]1Br	1329654793	RPOROLIRVNJNAO-JQWIXIFHSA-N	309.167	1.633	50	20	DDGD	
O=C(NC/C=C\C1CC1)NNC(=O)c1cccc([N+](=O)[O-])c1	1325007510	IZFGCEHKYNDYHX-IHWYPQMZSA-N	304.306	1.505	50	20	DDGD	
COC(=O)C(=O)NN=C1CC(C)(C)c2ccc([N+](=O)[O-])cc21	1326710733	XEGVSBDXOVUEQG-UHFFFAOYSA-N	305.290	1.269	50	20	DDGD	
C[C@]1(CO)CCCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C1	1322236225	DIIQMTKJUIYMCJ-DZXKJOIRSA-N	300.358	1.920	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)n1cccc1	1330946257	SSJJOHZXZDSGSW-LBPRGKRZSA-N	322.409	1.139	50	20	DDGD	
COCCOc1ccc(C(C)=NNC(=O)c2cccnn2)cc1	1333198462	VXOYPOIPCPBRLJ-UHFFFAOYSA-N	314.345	1.656	50	20	DDGD	
O=C(NC[C@H]1CCc2ccccc21)NNC(=O)c1cccnn1	1336944917	MKNLZZZYXRKZAX-GFCCVEGCSA-N	311.345	1.151	50	20	DDGD	
Cc1nccnc1C(=O)NNC(=O)c1cc2c(s1)CCC2	1261759205	AEFZSTZIQDGRBX-UHFFFAOYSA-N	302.359	1.410	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCCC(F)F)c2ccccc21	1342108757	YBXCTXQSIMVTLM-UHFFFAOYSA-N	310.304	1.778	50	20	DDGD	
Cc1cccc(CNC(=O)NNc2nncc(N)c2Cl)c1	1340563613	MWVMXZNUBCRTAO-UHFFFAOYSA-N	306.757	1.847	50	20	DDGD	
O=C(NNc1cccc(F)n1)C(=O)Nc1ccc(C(=O)O)cc1	1601561295	ZGBHLPFTHNZFMU-UHFFFAOYSA-N	318.264	1.001	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1	1521624064	WEMXCRWAXBNJGC-UQSNBNBGSA-N	319.405	1.296	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)OCc2ccc(C(=O)O)cc2)cn1	1605491401	YVIRFEWTOGINCM-NSIKDUERSA-N	311.297	1.769	50	20	DDGD	
CON1CCC(C(=O)NNc2ccc(CC(=O)O)cc2)CC1	1606995203	QXUNTLWRAYAKPW-UHFFFAOYSA-N	307.350	1.030	50	20	DDGD	
Cn1cc(C=NNC(=O)Cc2ccc(F)cc2)cc1C(=O)O	1600945330	KIRDOAFRSJOSDX-UHFFFAOYSA-N	303.293	1.555	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2cnc3ccccc3n2)nc1	1602324174	DFTHXYOAKKZUFM-UHFFFAOYSA-N	309.285	1.480	50	20	DDGD	
O=C(NNC(=O)c1ccc(C(=O)O)[nH]1)Nc1ccc(Cl)cc1	1601554595	BFNUAJOMGRHBMR-UHFFFAOYSA-N	322.708	1.833	50	20	DDGD	
O=C(O)[C@H](Cc1cc2ccccc2o1)NS(=O)(=O)CCl	1601659411	YYPYIABRHXHEER-JTQLQIEISA-N	317.750	1.544	50	20	DDGD	
O=C(CCc1ccccc1O)NN=C1C[C@H]2C[C@H](C(=O)O)[C@H]1C2	1608318854	CWBZXKRIOYZMSH-RTXFEEFZSA-N	316.357	1.928	50	20	DDGD	
O=C(O)C12CC(C(=O)NNc3ccc4c(=O)[nH]ccc4c3)(C1)C2	1610730053	HTFXGKBLFHGUQT-UHFFFAOYSA-N	313.313	1.226	50	20	DDGD	
C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](F)Cl)CC1	1827614462	OBECWDNSOXSRQR-JSGCOSHPSA-N	314.788	1.774	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@@H](N)C(C)(C)C)cc1	1573806023	APNKLLNUQWPFDW-GFCCVEGCSA-N	324.450	1.776	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NC[C@@]2(C)CNCCO2)c(C)c1	1579577199	LWFQGUABZLWTRC-MRXNPFEDSA-N	306.410	1.616	50	20	DDGD	
COc1cccc(C[C@@H](N)C(=O)NNc2c(F)cccc2F)c1	1579275496	WZNIZDDIOPLOSC-CQSZACIVSA-N	321.327	1.987	50	20	DDGD	
O=C(NNC(=O)[C@@]12CCC[C@@H]1NCC2)c1cccc2ncccc12	1580736191	NSSOQFRFVRYAMP-MAUKXSAKSA-N	324.384	1.528	50	20	DDGD	
CCCc1ncc(C(=O)NNc2ncccc2C(=O)O)s1	1589692254	YAKFTONDQIWONM-UHFFFAOYSA-N	306.347	1.946	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=CCC(C)(C)C(=O)O	1589692726	CIYXKMAORUCXHA-UHFFFAOYSA-N	313.398	1.532	50	20	DDGD	
CC(C)(O)CC(=O)N1CCCC12CN(C(=O)C(Cl)Cl)C2	1842783440	IGMNTADSFHPVCX-UHFFFAOYSA-N	323.220	1.155	50	20	DDGD	
C[C@@H](Cc1ccco1)C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1589902038	UXYUIDUDGJWRSD-VIFPVBQESA-N	313.321	1.177	50	20	DDGD	
COC[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(Cl)Cl	1847864403	QZURSEJPCZAKKH-UTLUCORTSA-N	323.220	1.274	50	20	DDGD	
CCNC(=O)NN=Cc1ccc(C(=O)O)c(Br)c1	1596470621	ADYPLNYNRFEEBE-UHFFFAOYSA-N	314.139	1.800	50	20	DDGD	
N#CCCC(=O)N1CCCC12CN(C(=O)C(Cl)Cl)C2	1842814283	FJTORWSRMRXECM-UHFFFAOYSA-N	304.177	1.297	50	20	DDGD	
O=C(O)CCc1cccc(NC(=O)NNC(=O)[C@H]2CCCO2)c1	1595066301	HRJKWXOOWOAQIL-GFCCVEGCSA-N	321.333	1.036	50	20	DDGD	
C[C@]1(CNC(=O)c2ccoc2CC(=O)O)C[C@@H]1Br	1594027698	ZTRNRZYGVHBTED-JOYOIKCWSA-N	316.151	1.810	50	20	DDGD	
O=C(NNc1ccnc(C(F)(F)F)c1)[C@H]1CC[C@H]1C(=O)O	1594782179	QRIHXUUUDJQTIU-JGVFFNPUSA-N	303.240	1.654	50	20	DDGD	
O=C(O)C1(C(=O)NNc2cc(Cl)ccc2F)CCOCC1	1594864815	OJISZZUTOHVRDL-UHFFFAOYSA-N	316.716	1.804	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cc(C(=O)O)c(C)o2)n1	1776026360	STHKIIQJPPFTQI-UHFFFAOYSA-N	304.306	1.250	50	20	DDGD	
CCOC(=O)NN=C1CCS(=O)(=O)c2ccc(Cl)cc21	12368837	OFFSWFCHJAKJQU-UHFFFAOYSA-N	316.766	1.968	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)COc2ccc([N+](=O)[O-])cc2)n1	14511078	RLGJDUFQHVAVBU-UHFFFAOYSA-N	317.305	1.524	50	20	DDGD	
Cc1nn(Cc2ccccc2)c(C)c1C(=O)NNC(=O)C1CC1	14800585	QRGZACAVQABFTR-UHFFFAOYSA-N	312.373	1.719	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc3cccc(F)c3o2)[nH]n1	152997478	DNDVUJXWBUEHMH-UHFFFAOYSA-N	302.265	1.678	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCCCCl)C(=O)NCc1ccco1	153746937	FDXQPBUYZKUJJD-SNVBAGLBSA-N	322.814	1.223	50	20	DDGD	
CC(C)(C)n1nccc1NC(=O)C(=O)NNc1ccccc1F	155579283	ZDJQXDURAZDART-UHFFFAOYSA-N	319.340	1.859	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H](N)CCSC)c1ccccc1	157320842	KDNOEYKTPYMWDQ-OLZOCXBDSA-N	309.435	1.408	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNC(=O)c1cccnc1	159015830	FIHUSXJRWBWTIE-VIFPVBQESA-N	301.350	1.376	50	20	DDGD	
CC(C)(C)OC(=O)[C@]1(C)C[C@@H](I)CN1	536960683	SICDEQPVLVXPFV-XCBNKYQSSA-N	311.163	1.884	50	20	DDGD	
O=C1NCCCC[C@@H]1NS(=O)(=O)c1ccc(CCl)cc1	383543264	FEBLJAAHXRTYDE-LBPRGKRZSA-N	316.810	1.372	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=C[C@H]1CC1(Cl)Cl	853329076	WJFDZBBLRQJEHV-SSDOTTSWSA-N	310.181	1.807	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@H]1C[C@]12CCOC2	862289946	JBCDWLPYYAFRMV-CJNGLKHVSA-N	304.346	1.713	50	20	DDGD	
CN(NS(=O)(=O)CC(C)(C)CCl)C(=O)OC(C)(C)C	867389494	RICLDJGEURFHKR-UHFFFAOYSA-N	314.835	1.953	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)c1cccc(Cl)c1	3614039	ZXHJBXAQWVQDMB-UHFFFAOYSA-N	320.732	1.886	50	20	DDGD	
O=C(NNC(=S)Nc1ccc2c(c1)OCO2)c1cccnc1	6633412	NILDBEMJNVJPTD-UHFFFAOYSA-N	316.342	1.442	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cccnc2)cc1[N+](=O)[O-]	173999114	MAQYPRAZAMXQKW-UHFFFAOYSA-N	314.301	1.627	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cc(C)nn2C)cc1	28580101	KJJMTXUKPPEITD-UHFFFAOYSA-N	303.322	1.204	50	20	DDGD	
CC[C@@H](CC(=O)NNC(=O)C(=O)NC(C)C)c1ccccc1	103428263	HEKCNUXTWUSQQS-LBPRGKRZSA-N	305.378	1.242	50	20	DDGD	
O=C(CC[C@H]1CCOC1)NNC(=O)c1cccc2ncccc12	176020314	YRXAFBMHPSHNOQ-LBPRGKRZSA-N	313.357	1.813	50	20	DDGD	
O=C(CC[C@H]1CCOC1)NNc1nc(-c2ccncc2)no1	175939275	PLPVKEZNMVJCCV-JTQLQIEISA-N	303.322	1.391	50	20	DDGD	
N#Cc1ccc(C(=O)NN[C@H](C(N)=O)c2ccc(F)cc2)cc1	171121520	ZHZJQNUDYKEVNG-AWEZNQCLSA-N	312.304	1.158	50	20	DDGD	
CNc1ccc([N+](=O)[O-])cc1C(=O)NN[C@@H](C)C(F)(F)F	1351618782	ZHYDZWVXOIKLDK-LURJTMIESA-N	306.244	1.822	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNC(=O)c1ccncc1	172910981	FIQSCTKENKLQGU-SNVBAGLBSA-N	315.377	1.072	50	20	DDGD	
CC(C)(C)CC(=O)NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1	111054772	BFJNRKORDNMBIV-UHFFFAOYSA-N	320.397	1.754	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNC(=O)c1ccc(C)o1)C1CCCC1	176220090	XULVRFOWAJOZJK-ZDUSSCGKSA-N	307.350	1.044	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)CCC2CCC2)c1	175030038	ALVGBMMFRNVDEM-UHFFFAOYSA-N	305.378	1.835	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNc1ccccc1[N+](=O)[O-]	67778179	GDFSTTOQDPMZBX-ZDUSSCGKSA-N	320.349	1.829	50	20	DDGD	
COCc1ccccc1C(=O)NNC(=O)NCc1ccco1	65176154	NSTBKWJYXUZJSE-UHFFFAOYSA-N	303.318	1.570	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC[C@@H]1CCOC1)c1ccccc1	111477683	QKUMTUBUXKFCHX-JSGCOSHPSA-N	305.378	1.547	50	20	DDGD	
O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1F)NC1CCCC1	65919189	QWOLKOWMIDMGQA-UHFFFAOYSA-N	310.285	1.621	50	20	DDGD	
Cc1cscc1C(=O)NNC(=O)Cc1cn2ccccc2n1	177028020	GUFMBVYXDFIIDU-UHFFFAOYSA-N	314.370	1.708	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)N1CCOCC1)c1ccccc1F	171207428	WMZGTVDONXRZGC-LLVKDONJSA-N	309.341	1.392	50	20	DDGD	
O=C1C[C@@H](C(=O)NNC(=O)c2cccc3ccccc23)CCN1	129024669	CRWMSZUFNYGAMR-LBPRGKRZSA-N	311.341	1.127	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2Cc3ccccc3O2)n1	174484757	PXFUIDLMZWDIGV-LBPRGKRZSA-N	300.318	1.240	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2c(C)noc2C)c(OC)c1	60911669	HUUOFRXCYKHUQH-UHFFFAOYSA-N	319.317	1.383	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(C)n(CC(F)(F)F)c1C	65190455	ARKGBLOXWIBGTB-UHFFFAOYSA-N	306.288	1.631	50	20	DDGD	
O=C(Cc1cc(F)c(F)cc1F)NNc1ncc(F)cn1	122505208	XSZMJHNOQYDUCW-UHFFFAOYSA-N	300.215	1.719	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1cc(F)c(C)cc1F	121557911	MKWQHSAOMZCIIU-UHFFFAOYSA-N	321.349	1.566	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)COc1cc(C)ccc1C)N(C)C	124482484	WMTIAFYZSSCKHR-ZDUSSCGKSA-N	307.394	1.170	50	20	DDGD	
O=C(CCn1nnc2ccccc2c1=O)NNc1ccccc1	72987810	ZGCFATHSSYBKOB-UHFFFAOYSA-N	309.329	1.325	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)nc2)cc1	77248570	ARJBWWTZXJLAIC-UHFFFAOYSA-N	300.705	1.681	50	20	DDGD	
O=C(NNc1c(F)cccc1F)N[C@@H]1CC(=O)N(C2CC2)C1	79046639	SXMQLEXYWOJUQO-MRVPVSSYSA-N	310.304	1.354	50	20	DDGD	
CCn1nc(C(C)C)cc1C(=O)NNC(=O)c1cccn1C	75634652	JYTJJWCHGSDHMM-UHFFFAOYSA-N	303.366	1.440	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)Nc1ccncc1F	184227618	XILKUMXZVPBLIF-UHFFFAOYSA-N	318.308	1.590	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)Cc1cccs1	78343234	GXXHPYQUEZZKEP-UHFFFAOYSA-N	304.371	1.655	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)C(=O)Nc1cccc(F)c1	181984875	DHEOGEFMWMBYDW-UHFFFAOYSA-N	301.277	1.225	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(N)=O)c1C	214776763	RJQLUFLHADGNIE-QENILXLESA-N	319.361	1.075	50	20	DDGD	
COCCSCC(=O)NNC(=O)c1ccccc1Cl	46113636	BQGXYTTZPCPIDG-UHFFFAOYSA-N	302.783	1.481	50	20	DDGD	
O=C(NCC1CCOCC1)NNC(=O)c1ccc(Cl)cc1	194800587	CKQIHGZDYBAHOK-UHFFFAOYSA-N	311.769	1.711	50	20	DDGD	
CCC(C)(C)CNC(=O)NNC(=O)COc1ccc(F)cc1	190778191	SWKYKAIXOHKVEF-UHFFFAOYSA-N	311.357	1.971	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCOc2cccc(F)c2)o1	84143252	ZGVMVVQUGNUXLL-UHFFFAOYSA-N	321.308	1.750	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccc([N+](=O)[O-])cc1	46916696	HQNATIIOEFAAOJ-UHFFFAOYSA-N	306.200	1.101	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1csc(-c2ccccc2)n1	190069972	FLGFIYCNGUKPEN-UHFFFAOYSA-N	305.359	1.342	50	20	DDGD	
C[C@@](CC(=O)O)(C(=O)NNC(=O)c1ccc[nH]1)C1CCCCC1	237575849	RNAWODBNPJWSHE-INIZCTEOSA-N	321.377	1.837	50	20	DDGD	
CC[C@@H](C)[C@@H](C)NC(=O)NNc1ccc(-n2cccn2)nn1	98122258	SWXXUCGJDAUJRB-GHMZBOCLSA-N	303.370	1.723	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)NC(C1CC1)C1CC1	264533557	ZDXGWEOYILGXSP-UHFFFAOYSA-N	319.361	1.290	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSc1nnc(S)s1	266991575	JKYAOACPWXDJHA-UHFFFAOYSA-N	306.438	1.112	50	20	DDGD	
CCOC(=O)CC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	263732884	UKJVKAFRNBHQMJ-SECBINFHSA-N	324.402	1.587	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNC(=O)CNc2ccccc2)no1	266561747	JPGASNULIAGKRD-UHFFFAOYSA-N	316.361	1.845	50	20	DDGD	
Cc1ccc(C(=O)NCCC(=O)NNC(=O)C(C)(C)C)c(O)c1	263948411	JXYYBALRBZNYNJ-UHFFFAOYSA-N	321.377	1.014	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2cnc3c(c2)NC(=O)CO3)c1	367518726	NZDDSDKUMQZVHJ-UHFFFAOYSA-N	316.292	1.617	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)OC(C)(C)C)cc1C	268957682	KEZCLZSPKFQAHN-UHFFFAOYSA-N	310.350	1.938	50	20	DDGD	
COc1ccc(COCCNC(=O)NNc2cccnn2)cc1	271447965	DJQKFYDZFGPAIG-UHFFFAOYSA-N	317.349	1.328	50	20	DDGD	
COc1cccc(NNC(=O)CCc2c(C)nc(C)nc2O)n1	272518926	KUBRCWNCMKCFKX-UHFFFAOYSA-N	317.349	1.279	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	364948817	XZTLXGZAGUJZMK-CHISNJGVSA-N	320.368	1.408	50	20	DDGD	
COC(=O)Nc1cc(NC(=O)NNC(=O)CC2CC2)ccc1F	273398497	MQIFAKJCZSGVMG-UHFFFAOYSA-N	324.312	1.957	50	20	DDGD	
CC[C@@H]1C[C@H](C(=O)NNC(=O)c2cccc(OC)c2O)CCO1	272449846	JQDYEVHIROQSMZ-GHMZBOCLSA-N	322.361	1.367	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@H](C)CNC(=O)OC(C)(C)C	276669905	GRVLZGIXHSUEFX-LLVKDONJSA-N	323.397	1.929	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](C)c1cn(C)c2ccccc12	274907999	ICAUQVYRLHUIEY-NSHDSACASA-N	302.378	1.974	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)C1(S(C)(=O)=O)CCCC1	274563006	CRPMNKXANYWVSZ-UHFFFAOYSA-N	314.382	1.935	50	20	DDGD	
CO/N=C/C(=O)NNC(=O)c1cc2c(s1)CCCCCC2	283154306	FXCJLEVCTMFUEK-OQLLNIDSSA-N	309.391	1.800	50	20	DDGD	
CC1(C)CC[C@H]1NC(=O)NNC(=O)COc1ccc(C#N)cc1	288076493	RKMGGORLOQOFGC-CYBMUJFWSA-N	316.361	1.456	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(OC(F)F)nc1	283016404	HLFGGLVJMQINPG-SSDOTTSWSA-N	302.281	1.882	50	20	DDGD	
C[C@@H]1Oc2ccccc2N(CC(=O)NCC(Cl)Cl)C1=O	288818957	HIZCYWRLMIHNQN-QMMMGPOBSA-N	317.172	1.720	50	20	DDGD	
O=C(NC[C@H]1OCCc2ccccc21)NNC(=O)c1ccc[nH]1	370894192	YYXJHXYEKRYRSK-CQSZACIVSA-N	314.345	1.273	50	20	DDGD	
CCCC(=O)N1CCCC[C@@H]1C(=O)NNc1cccc(F)n1	286621251	RGABJDACJPZMJD-LLVKDONJSA-N	308.357	1.845	50	20	DDGD	
COCCOc1ccc(C(=O)NN(C)C(=O)OC)c(Cl)c1	286380874	OCCCZAINXMBREY-UHFFFAOYSA-N	316.741	1.708	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NC1CN(C(=O)OC)C1	282230451	DNSLOXSVCKHINS-UHFFFAOYSA-N	306.366	1.634	50	20	DDGD	
CC1=CCCN(C(=O)NNC(=O)COCc2ccccc2)C1	280874930	DJBDYVAFNOMTEZ-UHFFFAOYSA-N	303.362	1.596	50	20	DDGD	
CC(C)(CCC(=O)NNC(=O)Cc1ccccc1F)[N+](=O)[O-]	294456553	BYBZYBLVLGGEKZ-UHFFFAOYSA-N	311.313	1.351	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)CNc2ccccc2)o1	295787812	RWRZQPQCJFLIHP-UHFFFAOYSA-N	316.361	1.809	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H]2CCCc3ccccc32)O1	293917648	MXQIQVULSANQOF-CQDKDKBSSA-N	302.374	1.821	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc([N+](=O)[O-])n[nH]1	803041587	NHPGIUPVGMRIJM-UHFFFAOYSA-N	312.289	1.931	50	20	DDGD	
CON=CC(=O)NNC(=O)Cc1nc(-c2ccccc2)cs1	809565792	AEJIPMRBWVYKHY-UHFFFAOYSA-N	318.358	1.132	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNc1cccc(C#N)c1)c1nncn1C	807431382	AUZUFLXPYKNZQJ-CYBMUJFWSA-N	313.365	1.710	50	20	DDGD	
COc1ccc([C@H](C)CC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	295581421	OIHBJKCERVAGLU-DOMZBBRYSA-N	320.389	1.905	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C=C(C1CC1)C1CC1	807369255	UKEGHWCQZNMQQG-UHFFFAOYSA-N	310.394	1.669	50	20	DDGD	
Cc1ccccc1-n1cc(C=NNC(=O)c2cccn2C)nn1	807959138	NXMTYSSTYIUVOS-UHFFFAOYSA-N	308.345	1.678	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)C(C)(C)c2ccccc2)cnn1C	292164047	KXXCWZKLYJGFSY-UHFFFAOYSA-N	314.389	1.396	50	20	DDGD	
CSSCCNC(=O)CCN/C(O)=C1\N=CC=CC1=O	803472326	ZMPCXZOQSHETDX-VAWYXSNFSA-N	315.420	1.030	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@@H]2CCCOC2)cc1	802122009	YDZZADOCFRFFIM-LLVKDONJSA-N	306.366	1.332	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1occ2c1CCC2	807371083	BMMWOQOEMSUSKG-UHFFFAOYSA-N	310.350	1.319	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNC(=O)[C@H]2CCCCO2)cc1	295297320	DWBMSFKTAVPBOE-OAHLLOKOSA-N	318.373	1.674	50	20	DDGD	
CN(NC(=O)CCc1ccc(C(N)=O)cc1)C(=O)OC(C)(C)C	297431491	ZEDHTIYYPFGTTP-UHFFFAOYSA-N	321.377	1.616	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1ccc2c(c1)CCO2	296487589	XWYPGLOYAUYTQE-ZDUSSCGKSA-N	305.334	1.343	50	20	DDGD	
CN(C)C(=O)NNC(=O)C(C)(C)c1ccc2c(c1)OCCO2	299308788	CLFBKRCXDMIIIT-UHFFFAOYSA-N	307.350	1.038	50	20	DDGD	
CC1(C)COc2c(C(=O)NNC(=O)[C@@H]3CCCCO3)cccc21	295695633	ZOSDCGDBVUXZCT-ZDUSSCGKSA-N	318.373	1.687	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H](c1ccccc1)n1cccn1	299488897	HZKNFECUHSEPRO-ZDUSSCGKSA-N	300.362	1.666	50	20	DDGD	
Cc1cn(-c2ccc(F)cc2)nc1C(=O)NNC(=O)CC1CC1	294035422	DLBRLTMVFLZAPZ-UHFFFAOYSA-N	316.336	1.881	50	20	DDGD	
COCCn1ccc(NC(=O)NNc2ncc(F)cc2F)n1	296578752	VYQBQORFJAHPIM-UHFFFAOYSA-N	312.280	1.351	50	20	DDGD	
Cc1nc(CC(=O)NN=C2CC[C@H](CC(=O)O)[C@@H]2C)cs1	814739810	BPTFCUBKWSNLCM-WCBMZHEXSA-N	309.391	1.987	50	20	DDGD	
C[C@@H](CC(=O)NNc1ncncc1F)NC(=O)C1CCCC1	817081471	CTMMIVFXALOMPR-VIFPVBQESA-N	309.345	1.144	50	20	DDGD	
CN(CC(=O)NNc1cccc(Cl)n1)[C@@H]1CCSC1	817007880	UHBXSEHLUXAYDX-SECBINFHSA-N	300.815	1.615	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC2CCN(OC)CC2)c1	817805380	GTILVCDQQBQFBM-UHFFFAOYSA-N	322.365	1.125	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cnn(-c2ccccn2)c1N	816467731	KTVWHJYUAFBKJB-UHFFFAOYSA-N	309.333	1.310	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1cccc(C(=O)O)c1	814763902	NMTAOAOFTYCESO-CYBMUJFWSA-N	317.389	1.957	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)COc2ccc(F)cc2)CC1(F)F	817513491	QKQQPOXQUWRPHY-LBPRGKRZSA-N	302.252	1.397	50	20	DDGD	
O=S(=O)(CBr)N1CCOC[C@@H](C2CCC2)C1	813758174	BMHKYVCVNFRFOR-JTQLQIEISA-N	312.229	1.417	50	20	DDGD	
Cc1nc(C(F)(F)F)ccc1C(=O)NNc1cnnn1C	816769446	IUXYKAVIYSPREL-UHFFFAOYSA-N	300.244	1.294	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCCO2)c1csc(N)n1	812457763	SGWMDZZINARTQN-UHFFFAOYSA-N	318.358	1.651	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)[C@H](C)CN1CCC(C)CC1	811635404	WRGNLXULCUMMOG-HIFRSBDPSA-N	322.453	1.515	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)CCOc1ccccc1	811639681	DSRXSVBAKNYOTO-CYBMUJFWSA-N	303.362	1.616	50	20	DDGD	
Cc1nnsc1C=NNC(=O)[C@@H](C)CN1CCCCCC1	814216579	RYCBEMUYJVJDCS-NSHDSACASA-N	309.439	1.809	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C2(C)CCOCC2)c1	726765782	ZPCCNXTZAHHZJM-UHFFFAOYSA-N	320.389	1.646	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)[C@@H]1CCCSC1	810355822	JMGYHBGFEHTTPL-GFCCVEGCSA-N	308.403	1.615	50	20	DDGD	
COc1cccc2c1OCC[C@@H]2NC(=O)NNC(=O)C(C)C	725874847	ONLZDXYTZHPWOD-NSHDSACASA-N	307.350	1.505	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)ncn1	497125420	FZVBUOQIJCDPDH-JTQLQIEISA-N	309.370	1.484	50	20	DDGD	
CN(CC1(N(C)C)CCC1)C(=O)/C(C#N)=C/c1cnn(C)c1	491158353	FAKRIUQHAOLXAR-RIYZIHGNSA-N	301.394	1.270	50	20	DDGD	
COc1ccc(C(=O)NN(C)[C@@H](C)CO)cc1OC(F)F	823970463	HFDOOIMFIZMSEM-QMMMGPOBSA-N	304.293	1.254	50	20	DDGD	
COc1ccc(C2(C(=O)NN(C)[C@H](C)CO)CCC2)cc1OC	823935739	WCRPXOVSQAWPDY-GFCCVEGCSA-N	322.405	1.469	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(C(=O)OC(C)(C)C)ccn1	824027180	GUDNFANSBFEBAY-UHFFFAOYSA-N	324.337	1.820	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@H]1CCN(c2ccccc2Cl)C1	823922963	NWILGCLHMPTCOZ-NEPJUHHUSA-N	311.813	1.510	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H]1CCCCN(C)C1=O	822666892	NVEKQJKVSQFMLI-GFCCVEGCSA-N	318.377	1.406	50	20	DDGD	
CC(C)OC(=O)[C@H](C)N(C)C(=O)/C(C#N)=C\c1cnn(C)c1	491160583	LSLHYWWVKIDEBT-RYPVXOHGSA-N	304.350	1.126	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)C(=O)NN=Cc1ccco1	728694121	DTXAKWRKUYDWKZ-UHFFFAOYSA-N	305.721	1.700	50	20	DDGD	
C/C(=C/c1ccc(Br)o1)C(=O)NN(C)[C@H](C)CO	823907571	NFJLJYYGIUZIJR-JGAIRUGNSA-N	317.183	1.789	50	20	DDGD	
C[C@@H](CC(=O)O)C(=O)NNC(=O)c1ccc2ccccc2c1	827304066	OJZXVWTZCLRFIK-JTQLQIEISA-N	300.314	1.712	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccnc2ccnn12	491129437	GOYXKYONTJZZIM-XFXZXTDPSA-N	305.297	1.981	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)COc1ccccc1C(F)(F)F	823976232	BEHKUNZUQHVCRF-VIFPVBQESA-N	306.284	1.428	50	20	DDGD	
CCCC1CCC(=NNC(=O)[C@H](C)NS(C)(=O)=O)CC1	728437939	YOUDPDLGMGWXHP-VUWPPUDQSA-N	303.428	1.387	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cc(F)cc(Cl)c1	495407285	JTYHUCXXOCWHKU-UHFFFAOYSA-N	303.677	1.195	50	20	DDGD	
C[C@H](C1CC1)n1cc(NC(=O)NNC(=O)c2cc[nH]n2)cn1	822794530	QCWBSFVGBWRFKU-MRVPVSSYSA-N	303.326	1.044	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccc2c(c1)C(=O)OC2	496190758	SSOIGJJUBSUGKZ-UHFFFAOYSA-N	307.306	1.918	50	20	DDGD	
CCOC(=O)[C@@H](Cc1ccccc1)NNC(=O)C1CCOCC1	905816692	RAJFCTGWLJBZCR-OAHLLOKOSA-N	320.389	1.208	50	20	DDGD	
CCCN(CC)c1ccc(C(=O)N2CC[C@H](B(O)O)C2)cn1	585068774	FDPLNULPEPNFDB-ZDUSSCGKSA-N	305.187	1.007	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(C)(C(=O)NNc2ncccn2)C1	496253101	INSBRPMQGMRENS-UHFFFAOYSA-N	307.354	1.177	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H](CN1CCCC1)c1ccccc1	823798895	IDHAMYJTAGLPRM-CQSZACIVSA-N	304.394	1.216	50	20	DDGD	
COc1ccc(C)cc1[C@@H](C)NCC(=O)NNC(=O)C(C)C	828629552	QMTPJYQPMXBTMW-GFCCVEGCSA-N	307.394	1.458	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1coc(-c2c(F)cccc2F)n1	823916909	AYNLFSQSDSQCGJ-MRVPVSSYSA-N	311.288	1.577	50	20	DDGD	
Cn1c(C(=O)NNC(=O)OCC(F)(F)F)cnc1Cl	824619982	VMOMANBXWGECRT-UHFFFAOYSA-N	300.624	1.007	50	20	DDGD	
CCCN(NC(=O)CS(=O)(=O)C1CC1)C(=O)OC(C)(C)C	496087774	ZLYQZKMYMHLQBV-UHFFFAOYSA-N	320.411	1.242	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc(OC(C)C)cc1	495326626	OKDLZUNNKWMZFP-UHFFFAOYSA-N	309.322	1.190	50	20	DDGD	
N#C/C(=C\c1c[nH]nc1-c1ccc2c(c1)OCO2)C(=O)NC1CC1	490609729	AZESFRDBGKTEMG-VZUCSPMQSA-N	322.324	1.991	50	20	DDGD	
COC(=O)NNC(=O)Nc1cnn(Cc2ccc(OC)cc2)c1	496958682	PTAOREVZLQKKFB-UHFFFAOYSA-N	319.321	1.333	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCN2C(=O)CC[C@@H]2C1	491104032	MSGKISZEBYXWFX-KADHNRKRSA-N	311.341	1.132	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(C)[C@@H]2CCNC2=O)cc1	490782402	IXCGEDJAZZOYBO-VSKPTYQZSA-N	313.357	1.339	50	20	DDGD	
CC(C)N(C[C@H]1C[C@H]2C=C[C@H]1C2)C(=O)c1cccc(B(O)O)c1	584945775	LTZOTZGRIQTMOC-OFQRWUPVSA-N	313.206	1.429	50	20	DDGD	
Cc1nnsc1C=NNC(=O)CCNC(=O)OC(C)(C)C	496948157	JHNFEVZWSRKYSJ-UHFFFAOYSA-N	313.383	1.211	50	20	DDGD	
O=C(NNC(=O)c1cccc(Br)c1O)c1ccc[nH]1	730272869	KVAOGWHRKWNBIR-UHFFFAOYSA-N	324.134	1.558	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(C)[C@@H]2CCNC2=O)cc1	490782399	IXCGEDJAZZOYBO-NRMKIYEFSA-N	313.357	1.339	50	20	DDGD	
O=C(NN=Cc1c(C2CC2)nc2sccn12)c1ncon1	901289594	IKUIALCARGLHRV-UHFFFAOYSA-N	302.319	1.420	50	20	DDGD	
COC[C@H](OC)C(=O)NNc1ccc(OCC(F)(F)F)cc1	830810294	LEFJSCKAGBOQGC-NSHDSACASA-N	322.283	1.732	50	20	DDGD	
Cc1cccc(-n2ncc(C(=O)N3CC[C@@H](B(O)O)C3)c2C)c1	585069131	LHXUETWNCSWHGK-CYBMUJFWSA-N	313.166	1.178	50	20	DDGD	
O=C(O)NNS(=O)(=O)c1c(Cl)cccc1C(F)(F)F	738660090	CDVAIOUVPQVXNL-UHFFFAOYSA-N	318.660	1.820	50	20	DDGD	
Cc1ccc(NNC(=O)NCCOc2ccc(F)cc2)nn1	730026410	NNHZZDBHKFWCCS-UHFFFAOYSA-N	305.313	1.629	50	20	DDGD	
C[C@@]1(c2cccs2)C[C@@H]1CNCc1ccc(B(O)O)cc1F	585024523	YSVQMRFMUOHPCV-MLGOLLRUSA-N	319.210	1.634	50	20	DDGD	
CC[C@@H](C)[C@@H](NNC(=O)COc1ccccc1OC)C(=O)OC	905748305	VRBKAJSGQVLONK-IAQYHMDHSA-N	324.377	1.283	50	20	DDGD	
CCc1ccc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)s1	731151241	JREBWQYRERZQLI-VIFPVBQESA-N	300.405	1.195	50	20	DDGD	
COC(=O)c1cc(NNC(=O)COCC(F)(F)F)ccc1F	837034884	WOLNYBCVRIIEHN-UHFFFAOYSA-N	324.230	1.634	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H](CN1CCCC1)c1ccccc1	585016499	OGHRNOCLBNUHPC-IBGZPJMESA-N	324.233	1.293	50	20	DDGD	
Cn1cc(C(=O)NNC(=S)Nc2ccc3c(c2)CCC3)cn1	735416563	CCNUVTDHRXWIQV-UHFFFAOYSA-N	315.402	1.540	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](CC(C)C)C(N)=O)c1	839721938	RIWKNBUPBSXIGV-LBPRGKRZSA-N	307.350	1.064	50	20	DDGD	
CC(=O)c1cccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	831057161	DMKOBXIOUVXYMP-GWCFXTLKSA-N	305.334	1.467	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1cccc(OCC(=O)O)c1	737129317	JBZXGGMVVVJQQL-XFXZXTDPSA-N	304.302	1.210	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)c1	905098598	NBGZDKITGIISOJ-LEWSCRJBSA-N	317.414	1.846	50	20	DDGD	
CCCC[C@H](COC)NC(=O)NNC(=O)N=c1cc[nH]cc1	836315226	WOPPYQIQXWDHKA-GFCCVEGCSA-N	309.370	1.044	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C2CC2)nc1C	837778128	KAZFWNKKURAANB-JTQLQIEISA-N	319.361	1.370	50	20	DDGD	
CCc1[nH]c(C(=O)NNc2ncc(F)cn2)c(C)c1C(=O)O	833667907	LLLWMHVIJLVJSB-UHFFFAOYSA-N	307.285	1.270	50	20	DDGD	
Cc1ccc(C(=O)O)cc1NC(=O)NNC(=O)c1ccncc1	738535212	CURXGQDGPLCPPG-UHFFFAOYSA-N	314.301	1.555	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1CCC[C@H](C(=O)O)C1	832588978	JBQLLOJMDOXLBI-MNOVXSKESA-N	320.345	1.347	50	20	DDGD	
COc1ccc2c(c1)OC(C)(C)CC2=NNC(=O)CN(C)C	834954764	VAOHIWWMQYXOPW-UHFFFAOYSA-N	305.378	1.638	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1scnc1C1CC1	836483196	POGNDNBNAIFNIP-SECBINFHSA-N	310.379	1.742	50	20	DDGD	
CCOc1cccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n1	831672710	PTLWDQHEURPHET-VHSXEESVSA-N	308.338	1.058	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2scnc2C)n1	746760626	VITPVDJZBJQAGM-UHFFFAOYSA-N	308.367	1.385	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1cnc2c(c1)NC(=O)CO2	848082719	UJUMLHBLITWQOK-UHFFFAOYSA-N	304.133	1.288	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2c(C)noc2C)cc1C	916544043	PUABTCVMELRZRS-UHFFFAOYSA-N	314.345	1.997	50	20	DDGD	
CCCN(C)CC(=O)NNc1ncc(Br)cn1	848320226	MZITZBQTVFQYKR-UHFFFAOYSA-N	302.176	1.024	50	20	DDGD	
O=C(NN=Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCCC1	748137616	PBMDFVXLYVSEBR-UHFFFAOYSA-N	313.279	1.778	50	20	DDGD	
Cc1cc(F)c(CC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1F	843662241	RYQAVKDDUINFIK-ONGXEEELSA-N	312.316	1.388	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cn(C)c2ccccc12)[C@@H](C)O	842225165	TVICRSGQNFHIHZ-MNOVXSKESA-N	303.362	1.346	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)/C(C)=C/c1ccco1	847518921	WQLPIHDZPOFBKI-MDZDMXLPSA-N	307.350	1.135	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cn1	843643053	HKPPDQMACOWSCM-CMPLNLGQSA-N	307.350	1.055	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCCC1=NNC(=O)c1ccc(C#N)cc1	741460549	RJAGOBFTJOWNDV-AWEZNQCLSA-N	319.386	1.631	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@@H]1CCc2ccccc2NC1=O	847396116	CXGCBYLTIMBCRX-CYBMUJFWSA-N	316.361	1.070	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)c2ccco2)cc1	741660962	PZZJUBRCUMIARX-LBPRGKRZSA-N	302.330	1.918	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=C1COc2cc(O)ccc21	915940571	DFWCQQUSKPIQSA-UHFFFAOYSA-N	322.324	1.875	50	20	DDGD	
C[C@H](NC(=O)C1CCCC1)C(=O)NNC(=O)CC1CCCC1	749940935	ZSWRBYLFUUGTAF-NSHDSACASA-N	309.410	1.409	50	20	DDGD	
COCCN(C)CCCNC(=O)NNc1cc(F)ccc1F	914176664	NNAVSQOLNXLSBU-UHFFFAOYSA-N	316.352	1.559	50	20	DDGD	
C[C@H]1C(=O)Nc2cc(C(=O)NNc3ncccn3)ccc2N1C	749892621	DSDOSTHNLRLSEB-VIFPVBQESA-N	312.333	1.010	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnccc1C(F)(F)F	847392310	RPXYQUWPQYPSCP-UHFFFAOYSA-N	304.272	1.845	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NN(C)C[C@H](C)O)cc1OC	910165087	FRCRPIQIIIMWRS-NSHDSACASA-N	310.394	1.325	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)NC1CCOCC1	918233520	VICPEGVTOCETTE-UHFFFAOYSA-N	321.421	1.712	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1ccc(N(C)C)cc1	916361521	BYSHDXGKXZZWNB-CQSZACIVSA-N	318.421	1.171	50	20	DDGD	
CC(C)(C)CCCC(=O)NNc1ccccc1S(N)(=O)=O	842262749	WZTNRCGMTPLPLJ-UHFFFAOYSA-N	313.423	1.994	50	20	DDGD	
Cc1[nH]c2ccc(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)cc2c1C	843973518	IOAPIARKMYRSPD-AAEUAGOBSA-N	315.373	1.971	50	20	DDGD	
COc1cc(C=NNC(=O)N(C)C)ccc1OC(=O)C1CC1	745613214	QDANNOYTQQKSNW-UHFFFAOYSA-N	305.334	1.616	50	20	DDGD	
CCN(CC)CCC(=O)NN=C(C)c1ccc([S@@](C)=O)cc1	746368332	IHXNTMQNPDKGDW-JOCHJYFZSA-N	323.462	1.996	50	20	DDGD	
CC(C)(C(=O)NNC(=S)NC[C@H]1CCOC1)c1ccccc1	749708286	VGWXDWRRTICBKD-GFCCVEGCSA-N	321.446	1.496	50	20	DDGD	
CC(=NNC(=O)C1CC1)c1cccc(OCC(=O)N(C)C)c1	920482482	LSOXKPNEMIMITH-UHFFFAOYSA-N	303.362	1.404	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccc(OC)cc1	843663436	XJLLYRMYAIWGKY-TUKIKUTGSA-N	320.389	1.761	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1C[C@H]1c1cccc(O)c1	843964723	GTWJQZNCVSQKKI-IGJVIKARSA-N	304.346	1.068	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@](C)(O)CC)cc1	929294865	FUWLQTVKLMOLND-MEDUHNTESA-N	324.377	1.161	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)COc2c(C)nn(C)c2C)n1	759095477	SMRYSXTVQVFIRK-UHFFFAOYSA-N	324.772	1.311	50	20	DDGD	
Cc1cc(NNC(=O)CNC(=O)N2CCCC2)ccc1Cl	928338252	DLAZNSBCGIVION-UHFFFAOYSA-N	310.785	1.897	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2CCCN(C(N)=O)C2)cc1Cl	753319397	ZMHJEDLJBUSMJU-SNVBAGLBSA-N	321.768	1.445	50	20	DDGD	
CON(C)C(=O)CCC(C)=NNC(=O)c1cccc(Cl)n1	853410202	FJKIEJKGQVTFII-UHFFFAOYSA-N	312.757	1.641	50	20	DDGD	
O=C(NNC(=O)c1noc2c1CCCCC2)c1cccc(F)n1	856427433	XMPNPJRGJKDEHI-UHFFFAOYSA-N	318.308	1.552	50	20	DDGD	
C[C@@H]1CCN(C(=O)NC[C@@]2(C)C[C@@H]2Br)[C@H](CN)C1	857105110	DZUXOMFTLNRZJG-MPPDQPJWSA-N	318.259	1.929	50	20	DDGD	
CN(C)c1ccc(C(=O)NNc2cc(Cl)nc(N)n2)cc1F	753452206	OVKFIRPDBMJIII-UHFFFAOYSA-N	324.747	1.674	50	20	DDGD	
CCCn1nccc1C=NNC(=O)c1ccc2c(c1)OCO2	853261275	HZWIKVATVOFCJP-UHFFFAOYSA-N	300.318	1.786	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=Cc2cnc3ccccn23)cc1	755509891	AKNARDFGVXVHNA-UHFFFAOYSA-N	319.324	1.735	50	20	DDGD	
C=CCNC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1ccc(O)cc1	750663754	PZNWOIGUCPREGQ-VSXLWIIGSA-N	300.314	1.533	50	20	DDGD	
CC(Cc1cccc(F)c1)=NNC(=O)C(=O)Nc1ccccn1	759205588	PQMYUYQPECQPGW-UHFFFAOYSA-N	314.320	1.894	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccc(Cl)nc2)[C@@H]2CCCC[C@H]2N1	857141689	NAZVZWKTHHAWEL-SDDRHHMPSA-N	322.796	1.873	50	20	DDGD	
O=C(NNC(=O)C1SCCCS1)c1cccc(F)n1	856427956	LDPVNCKBWHFMAW-UHFFFAOYSA-N	301.368	1.178	50	20	DDGD	
CC(C)Cn1cc(C(=O)NNC(=S)N[C@@H](C)C2CC2)cn1	855099841	OYYZOKUIDFEFQF-JTQLQIEISA-N	309.439	1.447	50	20	DDGD	
COC1(CNC(=O)NNc2ccc(C)c(F)c2)CCOCC1	853883594	MKRDFMLKALOLQG-UHFFFAOYSA-N	311.357	1.956	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CCn2cncn2)c1C	851620409	FWTUYGKWNKMDSQ-UHFFFAOYSA-N	318.406	1.303	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1cccc(OCCF)c1	757677994	FEUPPNGMNSNERV-UHFFFAOYSA-N	318.308	1.896	50	20	DDGD	
C#CC[C@H](NC(=O)NNC(=O)Cc1cccnc1)c1ccccc1	757022338	FNLUDMDTBBBGKH-INIZCTEOSA-N	322.368	1.719	50	20	DDGD	
Cn1ccc(NC(=O)NNC(=O)c2cc3c(s2)CCC3)n1	756292490	BDGPTISCSXKRSW-UHFFFAOYSA-N	305.363	1.437	50	20	DDGD	
COC[C@@H](NCc1ccc(OCCCCl)cc1)C(=O)O	859805118	KQSOAHQJEUEQHY-CYBMUJFWSA-N	301.770	1.884	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)O)CCCCCC1)c1ccccc1	852945037	VRJQNCBXIBRCRA-UHFFFAOYSA-N	304.346	1.873	50	20	DDGD	
C[C@@H](Sc1ccccn1)C(=O)NNC(=O)c1cccn1C	754219955	VVFARFNOKZXDOV-SNVBAGLBSA-N	304.375	1.362	50	20	DDGD	
CCOC(=O)N1CSC[C@@H]1C(=O)N(C)CC(Cl)Cl	936000387	LDMHCCZFRRKVJF-SSDOTTSWSA-N	315.222	1.780	50	20	DDGD	
CCc1occc1C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855832565	GEFSCCAJNSHZFQ-UHFFFAOYSA-N	323.393	1.546	50	20	DDGD	
CC[C@](C)(NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)C(F)(F)F	933508185	FXDTTYBCPHQDKP-XLDPMVHQSA-N	311.304	1.473	50	20	DDGD	
CC1=NO[C@@H](C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)C1	854217199	KMJHFJMCAZHOLL-TZMCWYRMSA-N	319.361	1.383	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccnn1CCc1ccccc1	857708727	WARWXYFAYYMESG-UHFFFAOYSA-N	315.377	1.480	50	20	DDGD	
CNC(=O)[C@H]1CCCN(C(=O)[C@@H](Br)C(C)(C)C)C1	768076942	FEGDHUQWBLTZFI-VHSXEESVSA-N	319.243	1.781	50	20	DDGD	
O=C(NNc1ncccn1)c1ccc(OCC(F)(F)F)cn1	765218989	WXOUIDLZDDIYTQ-UHFFFAOYSA-N	313.239	1.570	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@@H]1[C@H]2Cc3ccccc3[C@H]21	862151533	SUYLHGRMHIWUPX-RRFJBIMHSA-N	315.442	1.868	50	20	DDGD	
CCNC(=O)N(C)N=Cc1c(-n2ccnc2)nc2ccccn12	769592039	KZNDIFOXNBJWIT-UHFFFAOYSA-N	311.349	1.515	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2sc(C)cc2C)n1	864503330	LAXWXKHXQNZKQL-UHFFFAOYSA-N	306.391	1.639	50	20	DDGD	
Cc1cc(C(=O)NNc2cccc(F)n2)n(C2CCOCC2)n1	861685002	AWXGOJMXQZEBAY-UHFFFAOYSA-N	319.340	1.834	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(C)CCOC(C)(C)C	767904334	IHMVWEKIFNBBGJ-LBPRGKRZSA-N	301.431	1.315	50	20	DDGD	
CCC(CCc1ccccc1)=NNC(=O)[C@H]1CCS(=O)(=O)C1	863078782	ZXQVHHKEYFADAT-AWEZNQCLSA-N	322.430	1.936	50	20	DDGD	
O=C(NN=C1CCC2(CC1)C(=O)Nc1ccccc12)c1cn[nH]c1	863156165	OLZHBDVVDQUPIJ-UHFFFAOYSA-N	323.356	1.960	50	20	DDGD	
CN(NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccc(F)c1)C1CC1	868961938	HCMIUXRWZZERBE-HIFRSBDPSA-N	305.353	1.471	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccccc2F)CC1)c1cn[nH]c1	862471133	RYRGBKZPRYEDDH-UHFFFAOYSA-N	302.309	1.333	50	20	DDGD	
CN(CC(C)(CO)CO)C(=O)[C@@H](Br)C(C)(C)C	768322396	PDJSYXJEGZDGSW-SECBINFHSA-N	310.232	1.245	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C1CC(c2cc(F)cc(F)c2)C1	863185945	IZCJANITPKXMRD-UHFFFAOYSA-N	316.329	1.359	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1cn(-c2ccc(F)cc2)nn1	863122658	KYNGDSISWVMIRB-YGRLFVJLSA-N	317.324	1.282	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc2c(c1)N(C)C(=O)CO2)C(F)(F)F	862324499	NMJZJOHVMXOGHX-SSDOTTSWSA-N	317.267	1.227	50	20	DDGD	
Cc1cccc2c1[C@H](C)CC2=NNC(=O)[C@H]1CCS(=O)(=O)C1	766694873	VNMHLRDPEZYDNU-NEPJUHHUSA-N	320.414	1.757	50	20	DDGD	
COCc1ccc(C=NNC(=O)CNc2ccccc2OC)o1	764660265	VEFFICUYECTCLT-UHFFFAOYSA-N	317.345	1.997	50	20	DDGD	
C[C@H](NC(=O)c1cccs1)C(=O)NN[C@@H](C)C(F)(F)F	862307176	UOUOTRFNLLFDCC-BQBZGAKWSA-N	309.313	1.438	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](O)[C@@H](C)c1ccccc1F	868894809	VHUQXSQFTGZOPB-CABZTGNLSA-N	320.324	1.232	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc(Br)c(Cl)c1F	767683654	JQCLNLOHKPQVAC-UHFFFAOYSA-N	324.537	1.815	50	20	DDGD	
Cc1ccc([C@H]2CCCC2=NNC(=O)CS(C)(=O)=O)cc1	863189678	RTLGBXRRYWXCGM-CYBMUJFWSA-N	308.403	1.779	50	20	DDGD	
Cc1nnc(NNC(=O)C(C)(C)c2ccccc2Cl)nc1O	768926993	AJIJACVZTIBXEU-UHFFFAOYSA-N	321.768	1.960	50	20	DDGD	
CCOCCOC1CN(S(=O)(=O)CC(C)(C)CCl)C1	867064922	VFXWRUBXQIOUEF-UHFFFAOYSA-N	313.847	1.319	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cnn(-c2ccccc2)c1OC	1116632399	MUQMMVQYPFIYQR-UHFFFAOYSA-N	317.349	1.235	50	20	DDGD	
COc1ccc(NC(=O)NNc2ncc(F)cn2)cc1[N+](=O)[O-]	775722722	VSMLLEQYNOJIQQ-UHFFFAOYSA-N	322.256	1.681	50	20	DDGD	
CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)NN(C)C(=O)OC	875447231	MZHZMIIBKVJECS-MXWKQRLJSA-N	301.387	1.739	50	20	DDGD	
CC(=O)NNC(=O)Cc1cc(Cl)ccc1Br	771249382	HJBRYQQVJLJCJV-UHFFFAOYSA-N	305.559	1.812	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)C1CC1)c1ccccc1OC	775089825	UVGMYIIROHVRDC-ZDUSSCGKSA-N	305.378	1.293	50	20	DDGD	
CCC[C@@H](CNC(=O)NNc1nc2ccccn2n1)OCC	875782288	MULREPMCMZFPEG-NSHDSACASA-N	306.370	1.561	50	20	DDGD	
CCOC(=O)/C=C\c1ccc(NC(=O)NN(C)C(=O)OC)cc1	878242873	WRNBBIXZLNJLCT-YFHOEESVSA-N	321.333	1.998	50	20	DDGD	
CC1(C)C[C@]1(C(=O)O)C(=O)NC[C@@]1(C)C[C@H]1Br	1118809328	HPGJSUWQMDMDDI-NZXMKCKXSA-N	304.184	1.777	50	20	DDGD	
Cn1cc(C=NNC(=O)c2cnccn2)c(-c2ccccc2)n1	771549848	AAVXWQRTKGRBFN-UHFFFAOYSA-N	306.329	1.641	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc3nsnc3c2)n1	776703308	UYZAWVDBMZABNS-UHFFFAOYSA-N	300.347	1.855	50	20	DDGD	
COc1cccc(C)c1NC(=O)NNc1nccnc1OC	772523118	ZBZZEMCMWIYOHZ-UHFFFAOYSA-N	303.322	1.951	50	20	DDGD	
Cn1ccc(C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)cc1=O	771592337	MDNSGAQSNFQYDI-UHFFFAOYSA-N	306.253	1.190	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1ccccc1-n1cccn1	775502516	SLJQTPULNNHYQD-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ccc3ccccc3n2)nn1C	773662430	UVXYJHAQJQLJBD-UHFFFAOYSA-N	324.344	1.359	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)co1	776318371	XFIVZZMMEMEMRQ-QMMMGPOBSA-N	307.281	1.351	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CC[C@@](F)(C#N)C2)cc(C#N)n1C	787377259	KCQGKOXQKWSFKE-AKOROQJMSA-N	311.320	1.576	50	20	DDGD	
CS(=O)(=O)Nc1cccc(CC(=O)N2CC=C(C#N)CC2)c1	780688006	UJJAKMGGHCCAOH-UHFFFAOYSA-N	319.386	1.283	50	20	DDGD	
CCc1nnc(SCC(=O)NNC(=O)c2cccs2)o1	882333602	VYEVLWSPEKCQAC-UHFFFAOYSA-N	312.376	1.247	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1c[nH]c2cccc(F)c12	883067249	AODNEHIINISAQJ-UHFFFAOYSA-N	305.309	1.495	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1cnn(C(C)C)c1C	787153692	OUAOUDFLPZCVLB-UHFFFAOYSA-N	305.382	1.235	50	20	DDGD	
CON1CCC(C(=O)NNc2nc(C(F)(F)F)cs2)CC1	896939867	QIGABWBZVQRHPU-UHFFFAOYSA-N	324.328	1.878	50	20	DDGD	
Cn1ncc(Cl)c1C=NNC(=O)CCc1ccccc1O	780224338	CQGLYBPZYHWDJR-UHFFFAOYSA-N	306.753	1.862	50	20	DDGD	
COc1cc(OC)c(OC)cc1NC(=O)NN=c1cc[nH]cc1	782056667	MVGOAHOIYZWMGY-UHFFFAOYSA-N	318.333	1.678	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2cn(C)nc2C2CCCCC2)cn1	783845117	GICJJQCWVJMHIU-UHFFFAOYSA-N	314.393	1.965	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)C1(C#N)CCOCC1	780733786	ZSTTYMFARCJJMX-UHFFFAOYSA-N	303.318	1.237	50	20	DDGD	
CN(CC(=O)NNC(=O)CNc1ccccc1)CC(C)(C)C	895536905	OKXCKHOQQFKFLC-UHFFFAOYSA-N	306.410	1.224	50	20	DDGD	
CCn1ccnc1C(=O)NN=c1sc2ccccc2n1C	791312967	WHVHEENALLNZBJ-UHFFFAOYSA-N	301.375	1.702	50	20	DDGD	
C=C(CBr)CN1CCN(C(=O)N2CCCC2)CC1	791441080	DMMYFKOZMKYYPW-UHFFFAOYSA-N	316.243	1.771	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1Cc2ccccc2O[C@H](C)C1	795431317	NVASVJSHDYCRDQ-NEPJUHHUSA-N	305.378	1.215	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NNc1cccnn1	793809477	PMHLTOAOHSDODY-NSHDSACASA-N	321.381	1.565	50	20	DDGD	
N#C/C(=C\c1ccc(O)c(Br)c1)S(N)(=O)=O	798229592	FRMRFZJRXCWSRZ-XVNBXDOJSA-N	303.137	1.308	50	20	DDGD	
CCN(C[C@H](C)CBr)[C@@H](C)CS(C)(=O)=O	133784117	YKUQRGXLEWBAMH-ZJUUUORDSA-N	300.262	1.772	50	20	DDGD	
O=C(NN=C1CN2CCC1CC2)c1cncn1-c1ccccc1	1319309092	PINKDSGRDLKRKB-UHFFFAOYSA-N	309.373	1.684	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H]1CC(c2cccc(F)c2)=NO1	1317858050	FKNUGPJUBQJBPC-GFCCVEGCSA-N	324.381	1.222	50	20	DDGD	
C[C@H](Oc1cccnc1)C(=O)NNc1nncc(N)c1Cl	1324009805	XFEVBYKJJSPQJQ-ZETCQYMHSA-N	308.729	1.018	50	20	DDGD	
COc1ccccc1C1(NCC(=O)NNC(=O)C2CC2)CCC1	1324890629	JLZBUDXGXKFCLT-UHFFFAOYSA-N	317.389	1.221	50	20	DDGD	
O=C(NNc1cccnn1)C(=O)Nc1cncc2ccccc12	1324361221	CTYSDRLOHOUOAQ-UHFFFAOYSA-N	308.301	1.107	50	20	DDGD	
CC(C)NC(=S)NNC(=O)COc1ccc(Cl)c(F)c1	1326227224	IYKPWLZTUYOXQA-UHFFFAOYSA-N	319.789	1.762	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)N[C@H]1CCC[C@H](F)C1	1326299354	PCOJYXXFXBNBSJ-QWRGUYRKSA-N	319.344	1.569	50	20	DDGD	
C[C@@]1(c2ccccc2)C[C@H]1NC(=O)NNC(=O)C1CCNCC1	1326123126	OHPGPRMTVMCBBC-PBHICJAKSA-N	316.405	1.047	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)c1ccc(Cl)nn1	1321297640	NHRWJZUZWFZZMC-UHFFFAOYSA-N	311.128	1.858	50	20	DDGD	
Cc1nnc(O)c(C(=O)NNc2nccnc2C(C)C)c1C	1320865865	HDOSVNPJYUIRMA-UHFFFAOYSA-N	302.338	1.469	50	20	DDGD	
COc1cc(CNC(=O)CCl)ccc1OCCN(C)C	41699072	QZYQARIZVIOINE-UHFFFAOYSA-N	300.786	1.491	50	20	DDGD	
COC(=O)C(=O)NN=Cc1cccc(Br)c1OC	1321366792	OJQMPODXTAWVMA-UHFFFAOYSA-N	315.123	1.081	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccc(O)cc2O)cc1	1256692929	UOMSQECEOLLZTN-UHFFFAOYSA-N	317.301	1.573	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc([S@](C)=O)cc1	1339942116	OOVCRLWZFLRUDW-QFIPXVFZSA-N	323.418	1.179	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1cc(Cl)c(Cl)cc1O	1343755892	SPGZTIASXKULRI-UHFFFAOYSA-N	305.117	1.712	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@H](C)c1ccc(F)cc1Cl	1344555785	YJMZNOFKBFCGOR-ZCFIWIBFSA-N	317.704	1.044	50	20	DDGD	
CCc1cc(OCC(=O)NN(C)CCOC)ccc1Cl	1344528826	MDZJZXDUTBBFJK-UHFFFAOYSA-N	300.786	1.891	50	20	DDGD	
CC(C)C[C@H](C)NC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1351174566	KYARECBVPIEAMK-OUJBWJOFSA-N	319.243	1.827	50	20	DDGD	
C[C@@H]1[C@@H](C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)C1(F)F	1520158499	KVUOSBOOMDEFFH-LDWIPMOCSA-N	313.260	1.469	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)ccc1O)c1c[nH]c(C(=O)O)c1	1601555270	USZUVVWXUPIRFN-UHFFFAOYSA-N	323.692	1.147	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@H]2CC[C@@H](C)O2)ccc1C(=O)O	1605202015	KKFIZUTUPQEYBX-BXKDBHETSA-N	321.333	1.413	50	20	DDGD	
Cc1cccc(NNC(=O)Nc2cccc(-c3nn[nH]n3)c2)n1	1605919631	KXWHLHPPODDWIJ-UHFFFAOYSA-N	310.321	1.719	50	20	DDGD	
CSc1ccc(NCc2ccccc2B(O)O)cc1C(=O)O	1607409427	LBFLIYIAOJTTFR-UHFFFAOYSA-N	317.175	1.399	50	20	DDGD	
O=C(O)[C@@H](C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)C1CC1	1605898125	LHCZJPCTHUEVNO-AOCZCRFVSA-N	320.389	1.461	50	20	DDGD	
Cn1nc(C(=O)O)cc1NC(=O)[C@H](Br)C(C)(C)C	1601002376	NMTQFXXCKPUSMD-QMMMGPOBSA-N	318.171	1.866	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cc(F)cnc2O)c(F)c1	1602383275	BDOMSKHKRGAPOM-UHFFFAOYSA-N	309.228	1.521	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CCCCC(=O)O)cc1	1610510612	QTGYYMUXJVATFY-UHFFFAOYSA-N	307.350	1.199	50	20	DDGD	
C[C@H](N)c1nc(C(=O)NNC(=S)N[C@@H](C)C2CC2)cs1	1576175298	GUWLLOZWRUKGOP-BQBZGAKWSA-N	313.452	1.070	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)CCCCNC)cc1	1578183237	LBPCXLPRRDIKTQ-UHFFFAOYSA-N	324.450	1.793	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@H]1Cc2ccc(O)cc2N1)C1CC1	1576233121	FVWWAQUHVLXONN-AMIZOPFISA-N	320.418	1.023	50	20	DDGD	
CC(=NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1cncc(C(=O)O)c1	1589010786	IGIRXIJRTZYEGV-JHJVBQTASA-N	303.318	1.188	50	20	DDGD	
C=CCSCC(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843362444	VPHAXRYWAMLPOT-LLVKDONJSA-N	320.817	1.643	50	20	DDGD	
O=S(=O)(NC[C@@H]1CCCCN1)c1ccc(CCl)cc1	1580868484	OHOKEMNOYCJUOG-LBPRGKRZSA-N	302.827	1.846	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2ccnnc2)C1	1842399870	YEVWZYJFOQNHIF-LBPRGKRZSA-N	322.796	1.311	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2(C(=O)O)CCCCC2)c1	1593896572	AQRAIYUENLKCPO-UHFFFAOYSA-N	320.345	1.951	50	20	DDGD	
COc1cc(C)cnc1C(=O)NNc1cccc(C(=O)O)c1	1599395004	IIDMXUYCGVYMLB-UHFFFAOYSA-N	301.302	1.854	50	20	DDGD	
CN1CCC[C@H](NC(=O)NNc2ccc(CC(=O)O)cc2)C1	1598593086	FEKNAURRCVQEKD-ZDUSSCGKSA-N	306.366	1.034	50	20	DDGD	
C[S@](=O)c1cccc(C(=O)NNc2ccc(C(=O)O)cn2)c1	1599780613	SHBXRWGBJQNSNX-QFIPXVFZSA-N	319.342	1.274	50	20	DDGD	
O=C(O)[C@H](C(=O)NNc1ncccc1[N+](=O)[O-])C1CCCC1	1594835581	JGHJKCHPJSKBMX-JTQLQIEISA-N	308.294	1.324	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NN=Cc1ccc(/C=C\C(=O)O)o1	1776098621	QZHXOEMZFDYYOJ-FTAJBFPDSA-N	319.361	1.700	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C\c1cccc(OCC(=O)O)c1	1776825435	CMXOBFFMANXBST-JYRVWZFOSA-N	309.343	1.839	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1c(F)ccc(C(=O)O)c1F	1776946045	HDEUZENEBBQIKF-ALCCZGGFSA-N	301.270	1.962	50	20	DDGD	
CO[C@@H]1C(=NNC(=O)c2cccc(C(=O)O)c2)[C@@H]2CCC[C@H]12	1776096733	PHPGYEMCJKBURO-DYEKYZERSA-N	302.330	1.916	50	20	DDGD	
CCCC(=O)N1CCO[C@@]2(CCN(C(=O)C(Cl)Cl)C2)C1	1783947441	UESPGZCGFPQPPF-ZDUSSCGKSA-N	323.220	1.420	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cc([N+](=O)[O-])cn1C	16305806	SFZOWVTYMVDBRC-UHFFFAOYSA-N	318.289	1.017	50	20	DDGD	
Cn1c(C(=O)NNc2cccc(C(F)(F)F)n2)cccc1=O	163106211	JMRPAVCLCMKQDH-UHFFFAOYSA-N	312.251	1.556	50	20	DDGD	
CC(C)n1cc(S(=O)(=O)NNC(=O)CC(C)(C)C)cn1	157767397	HYTFFBNJZUGTPY-UHFFFAOYSA-N	302.400	1.210	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)c1cscn1	103064803	RTFDMVXJOZTULF-UHFFFAOYSA-N	301.331	1.174	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2cnn(C)c2)cc1	8027741	GIOCWQAEIVDDKT-UHFFFAOYSA-N	304.375	1.282	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CCC(=O)c1ccccc1	8301980	PSTRQEVSKMINBX-UHFFFAOYSA-N	307.419	1.943	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@@H]2CCOc3ccccc32)c1	103400751	CKWQZPWGJVIAKM-OAHLLOKOSA-N	321.336	1.886	50	20	DDGD	
CNC(=O)NNC(=O)c1csc(-c2ccccc2OC)n1	58849191	DUCFUWKEPJXXGN-UHFFFAOYSA-N	306.347	1.393	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1ccc(Cl)c(F)c1	179685697	WVRUHXHPTZEJGI-UHFFFAOYSA-N	301.705	1.166	50	20	DDGD	
Cc1ccc(CN(C)C(=O)NNC(=O)Cc2cccnc2)cc1	103518766	MQOOGDCZBCGCAT-UHFFFAOYSA-N	312.373	1.805	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)C1C2CC3CC(C2)CC1C3	103424545	RFUVYKBPTOWTAF-UHFFFAOYSA-N	313.401	1.844	50	20	DDGD	
Cc1cnc(CNC(=O)NNC(=O)CCc2ccccc2)s1	173882477	HDQRDSSONXXFLY-UHFFFAOYSA-N	318.402	1.915	50	20	DDGD	
Cc1nc(NC(=O)NNC(=O)Cc2cccnc2)sc1C	171725252	NQXBOCYPZOPPEM-UHFFFAOYSA-N	305.363	1.550	50	20	DDGD	
COc1ccc(OC)c(CCC(=O)NNC(=O)NC(C)C)c1	63269357	AEAQRUFFLULZGN-UHFFFAOYSA-N	309.366	1.375	50	20	DDGD	
COCCCNC(=O)NNC(=O)C[C@@H](C)c1ccc(F)cc1	68457141	UCZOHCHTFSRCRT-LLVKDONJSA-N	311.357	1.686	50	20	DDGD	
COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2ccn(C)n2)o1	179423221	NCWGMKKPJIIEFV-VQHVLOKHSA-N	300.274	1.345	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cccc([N+](=O)[O-])c2)o1	178860295	TYBWFCMLUQWSLX-UHFFFAOYSA-N	305.246	1.731	50	20	DDGD	
CN(C)C(=O)CCCC(=O)NNc1ccc(C#N)c(Cl)c1	182386413	MJNHWRLPXKSTBS-UHFFFAOYSA-N	308.769	1.913	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc3ncsc3c2)cn1	172081117	LBNPVXNMIVRLJF-UHFFFAOYSA-N	301.331	1.105	50	20	DDGD	
CN(C)CC1(CNC(=O)NNC(=O)c2ccccc2)CCCC1	185457359	RWWLMVYGNONCPZ-UHFFFAOYSA-N	318.421	1.753	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)c2cccn2C)c1C	123301699	AJRCAUJZVANWMQ-UHFFFAOYSA-N	314.345	1.042	50	20	DDGD	
Cc1nn(C)c(-n2cccn2)c1C(=O)NNc1ccccc1F	187074874	KUVQFMLQZFMTLS-UHFFFAOYSA-N	314.324	1.810	50	20	DDGD	
Cc1nc(C(=O)NNc2nnc(C3CC3)s2)ccc1C#N	184482280	ZJZNBFQPSSRZEC-UHFFFAOYSA-N	300.347	1.748	50	20	DDGD	
Cc1nn(C)c2nc(C3CC3)cc(C(=O)NNc3ncccn3)c12	124063175	UDSSKMDCIBBTSS-UHFFFAOYSA-N	323.360	1.701	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NC1CCN(Cc2ccccn2)CC1	127496774	ZJMIESGSBOPSLG-WYMLVPIESA-N	314.389	1.606	50	20	DDGD	
CCCNC(=O)CCNC(=O)/C(C#N)=C\c1ccc(F)cc1	182314496	GUNYJZVAVCVZLI-RAXLEYEMSA-N	303.337	1.765	50	20	DDGD	
N#CC(C#N)=CNn1cnc2c(cnn2-c2ccccc2)c1=O	78608589	GWAMEXQPNAGATJ-UHFFFAOYSA-N	303.285	1.057	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)Nc1cc(F)c(F)cc1F	185035834	RPIHNEAKMFYEAK-UHFFFAOYSA-N	313.239	1.222	50	20	DDGD	
COCCn1c(C)c(C)c2cc(C(=O)NN(C)C(N)=O)ccc21	181093442	ZZQPETMQUJYYTF-UHFFFAOYSA-N	318.377	1.560	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@@H](C)S(C)(=O)=O	181325748	WMYRILPJPCZKQC-SNVBAGLBSA-N	307.375	1.419	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C(=O)Nc2cnccc2C)c1	134379408	MTKSIKKORGALBW-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
C=C[C@@](C)(CC)C(=O)NNC(=O)CNc1ccc(OC)cc1	134921271	KGHBMULKQQFKRG-INIZCTEOSA-N	305.378	1.857	50	20	DDGD	
COc1cc(C(=O)NNc2nc3ccccn3n2)ccc1F	191911767	SZQKMTVYXRQDPO-UHFFFAOYSA-N	301.281	1.634	50	20	DDGD	
CC(=O)NNC(=O)[C@H](C)Oc1ccc(Br)cc1	45826736	XZHDASAXUBXHFN-ZETCQYMHSA-N	301.140	1.384	50	20	DDGD	
CN(C)C[C@](C)(O)CNS(=O)(=O)c1ccc(CCl)cc1	379944193	CRVKAAIAJGHUII-CYBMUJFWSA-N	320.842	1.016	50	20	DDGD	
COc1cc(CNC(=O)NNC(=O)c2ccc[nH]2)ccc1C	193865332	GKNAUGJMCFAMJE-UHFFFAOYSA-N	302.334	1.476	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1Br)[C@@H]1CCNC1	237708015	HOPPIKFYWCPGJS-ZCFIWIBFSA-N	320.137	1.780	50	20	DDGD	
CCOc1c(Br)cc(C=NNC(N)=O)cc1OC	252447312	IQSRKRZPSXBMNI-UHFFFAOYSA-N	316.155	1.859	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1c[nH]c(C(=O)OC)c1	267765484	KBRNDLUKOZVCIF-KPKJPENVSA-N	305.334	1.251	50	20	DDGD	
CCCCCCCCOCC(=O)NNC(=O)c1cnn(C)c1	265887904	LPYVXWSCZKHOPK-UHFFFAOYSA-N	310.398	1.558	50	20	DDGD	
COCC[C@H](C)NC(=O)NNC(=O)COc1cccc(C)c1	263683120	KULCUPYECBFACM-LBPRGKRZSA-N	309.366	1.129	50	20	DDGD	
CC(=O)CCCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	269190265	HEFWRYDAQGCTOV-UHFFFAOYSA-N	319.361	1.149	50	20	DDGD	
C[C@@H](CCc1ccccc1F)C(=O)NNc1nccn(C)c1=O	267226217	OTPKJZBBQNUQKW-NSHDSACASA-N	318.352	1.631	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H]1CN(c2ccc(F)cc2)C1=O	368655731	ONGKCCODELBUQX-LXKVQUBZSA-N	303.293	1.101	50	20	DDGD	
CN1C[C@@H](C(=O)NNc2ccnc(F)c2)c2ccccc2C1=O	365941608	PNHOSDONDREZEQ-CYBMUJFWSA-N	314.320	1.533	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)C2SCCS2)n1	270876127	OHHDAMMAUWBPTJ-UHFFFAOYSA-N	313.452	1.572	50	20	DDGD	
COC[C@H](CNC(=O)c1c(C)nn(CCCl)c1C)OC	272917962	KBLSPDHEMBRJFJ-NSHDSACASA-N	303.790	1.130	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNc1nc2ccccc2cc1C	271989644	QCDHJVQTJCBXBX-JTQLQIEISA-N	302.334	1.731	50	20	DDGD	
COc1ccc(OC)c(CC(=O)NNc2nccnc2OC)c1	274047639	GODILBKDKPTBAI-UHFFFAOYSA-N	318.333	1.188	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNC(=O)c1ccc(C)s1	273499288	BSSCYEQMGDAIGB-UHFFFAOYSA-N	304.375	1.792	50	20	DDGD	
CN1CCC(n2ccc(NC(=O)NNc3ccccn3)n2)CC1	376046904	KWDMZJLOQLPXQW-UHFFFAOYSA-N	315.381	1.693	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)C(C)(C)C)ccc1C(=O)O	284930920	ARLGAGVRNUOOLA-UHFFFAOYSA-N	314.363	1.049	50	20	DDGD	
CC[C@@H]1C[C@H]1NC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	280773031	NCYABKYECUXMDJ-OPQQBVKSSA-N	309.341	1.722	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1cccc(C)n1)c1ccncc1	280265121	LNYWFISWZJLNCJ-ZDUSSCGKSA-N	313.361	1.880	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)C2CC(=O)C2)c1	283723501	VXFQSOFPERTRTE-UHFFFAOYSA-N	311.725	1.480	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H]1O[C@H](C)C[C@H]1C	282773469	VDBXTKXMCDCOBJ-XHBSWPGZSA-N	320.389	1.589	50	20	DDGD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)Nc1ccccc1	283622358	ASIFNVZRCYDWDK-AAEUAGOBSA-N	307.350	1.423	50	20	DDGD	
O=C(NC[C@@H]1CCC(F)(F)C1)NNc1nc2ccccn2n1	280577661	KXASOROGZKMKKA-SECBINFHSA-N	310.308	1.791	50	20	DDGD	
CCOCCCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	280865302	BKBOSSILCNAJPX-UHFFFAOYSA-N	321.377	1.206	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H](C)CS(C)(=O)=O)cc1	294248236	GVYZFIRMIAZKCO-JTQLQIEISA-N	300.380	1.209	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H](C)c2ccsc2)n1	802388873	WAYORGPDXNVOJW-NSHDSACASA-N	321.406	1.653	50	20	DDGD	
N#Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCCO2)c(Cl)c1	292576901	DBJGOJPZSXXOQX-NSHDSACASA-N	308.725	1.543	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)C/C=C/c2ccc(F)cc2)O1	293838791	GQYTVJRJBSMADI-OAWOSGDHSA-N	306.337	1.944	50	20	DDGD	
CO[C@@H](C)c1nsc(NC(=O)NNC(=O)c2ccncc2)n1	809924074	GVOHIRYYHGTDCA-ZETCQYMHSA-N	322.350	1.107	50	20	DDGD	
Cn1nncc1NC(=O)NNc1ncc(Cl)cc1Cl	809903408	JANPTSHZIAZPGA-UHFFFAOYSA-N	302.125	1.666	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c(C(C)C)n1	293842296	GZPJTFSCAWHNER-CABZTGNLSA-N	306.366	1.237	50	20	DDGD	
COc1cccc(C2(C(=O)NNC(=O)c3cc(C)[nH]n3)CC2)c1	802938660	VLGHKTCDTWAUOV-UHFFFAOYSA-N	314.345	1.220	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNc2nccc(OC)n2)c1C	292790372	UWQDZJUGCZFXLB-UHFFFAOYSA-N	304.354	1.004	50	20	DDGD	
Cc1csc([C@H](C)CNC(=O)NNc2ncncc2F)n1	293166755	XVHCZWFSUGDNED-SSDOTTSWSA-N	310.358	1.810	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNC(=O)Nc1ccc(Cl)cc1	802020508	YOLUGNUDPJIHEQ-QMMMGPOBSA-N	312.757	1.407	50	20	DDGD	
C[C@@H](C#N)C(=O)NNC(=O)Nc1ccc(Br)cc1	801998035	KUVNJKPDDHBWAN-ZETCQYMHSA-N	311.139	1.761	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H]1CCC(=O)c2ccccc21	803394463	WAAYIGIDBINPQA-CQSZACIVSA-N	324.340	1.417	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@H]1CCCC12OCCO2	807092391	CTXIMKOOZGMYGT-SECBINFHSA-N	320.374	1.678	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)C1CC=CC1	292281438	LNIFEDHDOLUNIX-UHFFFAOYSA-N	309.391	1.346	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](C)C(CC)CC	807371754	PGPGIZQANQDATL-NSHDSACASA-N	302.415	1.995	50	20	DDGD	
Cc1cccc(C)c1CCNC(=O)NNC(=O)[C@@H]1CCCCO1	296574156	TXHDZJMNNVAIIW-HNNXBMFYSA-N	319.405	1.745	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)COCc2ccccn2)cc1	805149863	DFVONSJEJISSJD-UHFFFAOYSA-N	313.357	1.622	50	20	DDGD	
CCCC[C@H](C)C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1	800688080	NCZRLGWCAIOYIU-MELADBBJSA-N	313.442	1.459	50	20	DDGD	
CN(C)CCn1nccc1NC(=O)NNc1ccc(C#N)cc1	297478773	SBESNUUWWBYSDO-UHFFFAOYSA-N	313.365	1.465	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)COc2ccc(C)c(C)c2)C1	805162004	IMBJERXDJPBZSE-UHFFFAOYSA-N	320.389	1.645	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@H]2CCCN2C)cc1	299229490	CRBQCLSRYKDMGZ-CQSZACIVSA-N	304.394	1.287	50	20	DDGD	
C[C@@H](Oc1ccc(C=O)cc1)C(=O)NN=c1cc[nH]cc1Cl	803110763	HJZLVPSRCFSJFZ-SNVBAGLBSA-N	319.748	1.880	50	20	DDGD	
COc1cccc(-n2cc(C(=O)NCC(Cl)Cl)nn2)c1	297042113	JONPLOJZZDPRDV-UHFFFAOYSA-N	315.160	1.809	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ncc(F)cc1F)N1CCCC1=O	296943592	MMMDZHUVGQTHEA-LBPRGKRZSA-N	312.320	1.450	50	20	DDGD	
Cc1nccc(CCC(=O)NNC(=O)CCc2ccccc2)n1	815187292	SRFCXZYGDJOHSB-UHFFFAOYSA-N	312.373	1.498	50	20	DDGD	
COc1cc(C)nc(NNC(=O)COc2cc(F)cc(F)c2)n1	810466438	PPDKQSVMVGSEAN-UHFFFAOYSA-N	324.287	1.594	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncncc1F)c1nc(C(C)(C)C)no1	814326014	SUOPUVRNIRXKAI-SSDOTTSWSA-N	323.332	1.684	50	20	DDGD	
CON(CC(=O)NNC(=O)C(C)(C)C)C[C@@H]1CCC[C@H](C)C1	810137866	YCWLBIIILAKHBI-QWHCGFSZSA-N	313.442	1.870	50	20	DDGD	
CC(C)Cn1nc(C(=O)NN(C)C2CC2)c2ccccc2c1=O	819641351	SLEPLKWYHIXWND-UHFFFAOYSA-N	314.389	1.792	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(-n2cccn2)c(C)c1	817525713	SZOFWOVXSZUXSU-UHFFFAOYSA-N	301.350	1.535	50	20	DDGD	
CCC(CC)(CNC(=O)NNc1cncc(Cl)n1)C(=O)O	818626727	HJTZRZAOXPGSFU-UHFFFAOYSA-N	315.761	1.647	50	20	DDGD	
O=C(NNc1ncncc1F)c1cccc(Cl)c1[N+](=O)[O-]	817081916	LVACJTHHBFMMHE-UHFFFAOYSA-N	311.660	1.934	50	20	DDGD	
CC[C@H](C=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccccc1	814835614	WTTFKHSQXNSCJB-VXGBXAGGSA-N	311.407	1.220	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1COc2cc(F)ccc21	814762555	DCIZQYMQHJBTMU-NSHDSACASA-N	321.352	1.007	50	20	DDGD	
C[C@@H](CBr)CN1CCC[C@H](n2cc(CO)nn2)C1	815142789	ZBCYMKRZEWZTST-JQWIXIFHSA-N	317.231	1.438	50	20	DDGD	
O=C1O[C@@H](C(=O)NNc2cccc(Cl)n2)Cc2ccccc21	817004288	XNWRTILMJKCING-LLVKDONJSA-N	317.732	1.960	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cccc3c2OCCO3)c1	728826748	WDZZAPORXDNDII-UHFFFAOYSA-N	323.308	1.404	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cnc(C2CC2)s1	729373742	NDQXCXGXBLWSOK-UHFFFAOYSA-N	302.359	1.419	50	20	DDGD	
COC(=O)c1csc(NC(=O)NNc2ncncc2F)c1	814668345	PPYYBABOQQXHDM-UHFFFAOYSA-N	311.298	1.612	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCc1ccc2ccccc2n1	813443870	KDWMNROYRABGBV-UHFFFAOYSA-N	323.356	1.660	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccnc(OCc2ccccc2)c1	816770705	IUSMRRRJMYLEDE-UHFFFAOYSA-N	324.344	1.546	50	20	DDGD	
CCC[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccc(OC)cc1OC	812502745	NPZWPHWZHKEJRU-ZWNOBZJWSA-N	306.362	1.901	50	20	DDGD	
CCC[C@@H](C)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	825233081	MXZDSYQLLQUXBA-SSDOTTSWSA-N	309.761	1.794	50	20	DDGD	
COC(=O)C(C)(C)N(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	491046227	GZGKVKYJUKCMMO-XFXZXTDPSA-N	302.330	1.709	50	20	DDGD	
Cn1nccc1/C=C(/C#N)C(=O)Nc1ccc2c(c1)OCCO2	490562472	BURACIZVASPMRU-FLIBITNWSA-N	310.313	1.737	50	20	DDGD	
C[C@H]1CCC[C@H]1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	824925443	CTUDUMXLUSURRF-JOYOIKCWSA-N	314.349	1.064	50	20	DDGD	
CN(C)C(=O)[C@H]1CCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)C1	491044230	BQZAOJMODWPXCC-FYQHACEVSA-N	315.348	1.669	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)c1ccc(-c2nn[nH]n2)cn1	823280940	IWLKIFLYMJPHKL-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCCOCC(F)(F)F	491005459	BBWBIHALBDHODN-XFFZJAGNSA-N	314.263	1.994	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)c1cc2n(n1)CCCC2	827032034	KEJBIKDHAFETEG-UHFFFAOYSA-N	314.374	1.981	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cccnc1Nc1ccccc1F	823976705	HNVWMBOLJJBBKX-LLVKDONJSA-N	318.352	1.922	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)NC[C@@H]1C[C@H]1C1CCC1	823770243	NVMBJLVQPVYGFJ-AAEUAGOBSA-N	303.366	1.275	50	20	DDGD	
CCn1c(S)nnc1CNC(=O)[C@@]1(C)C[C@@H]1Br	822304611	IHJUPGRXYDLJCB-WKEGUHRASA-N	319.228	1.376	50	20	DDGD	
Cc1nn(CC(=O)NN(C)C(=O)OC(C)(C)C)c2ncccc12	822507527	RKDPTEPMMQIWLG-UHFFFAOYSA-N	319.365	1.638	50	20	DDGD	
COCc1cccc(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	825702223	PYQXPNFWRBSTRC-RISCZKNCSA-N	321.377	1.088	50	20	DDGD	
CN(Cc1ccsc1)C(=O)NNC(=O)Cc1cccnc1	728957371	SFZNXZXTIRQGEZ-UHFFFAOYSA-N	304.375	1.558	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1ccc([N+](=O)[O-])o1	494434262	JVHODLWSMVUUDH-UHFFFAOYSA-N	312.282	1.163	50	20	DDGD	
CCOC(=O)Nc1ccc(F)c(C(=O)NN(C)[C@@H](C)CO)c1	823384602	PPEIKKUTQMKQSO-VIFPVBQESA-N	313.329	1.352	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(Br)c(C)c1F	823879145	GEGFTRLLSJYHKJ-UHFFFAOYSA-N	319.174	1.856	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)Cc1nc(-c2ccc(F)cc2)cs1	823934796	KIESZXDYPDBTJG-JTQLQIEISA-N	323.393	1.836	50	20	DDGD	
COc1cccc(C)c1NC(=O)C(=O)NNC(=O)OC(C)(C)C	496009649	JHOYQCNIRWMBNZ-UHFFFAOYSA-N	323.349	1.498	50	20	DDGD	
C/C=C/C[C@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)OCC	491173913	FWCMVHHQQAVKAA-OIDIOSNDSA-N	316.361	1.341	50	20	DDGD	
CN(C)CC1(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)CC1	822511426	RKSZGHDLPBYZEF-UHFFFAOYSA-N	319.409	1.565	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1ccc2c(c1)CCCC2=O	497264286	VVQCDWJHIVRZIH-UHFFFAOYSA-N	312.347	1.145	50	20	DDGD	
CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1cnccc1C	823953789	QGBNATCYJGOOCU-UHFFFAOYSA-N	321.344	1.724	50	20	DDGD	
CC[C@H]1c2ccccc2CCN1CC(=O)NNC(=O)C(C)C	827820565	BZAZYGFOOBFDTI-HNNXBMFYSA-N	303.406	1.799	50	20	DDGD	
CC1(C)C[C@H](c2ccccc2)N(C(=O)c2cccc(B(O)O)c2)C1	585001669	XZIABMDFDJVJOE-QGZVFWFLSA-N	323.201	1.980	50	20	DDGD	
CCCN(CC)C[C@H](C)NC(=O)NNC(=O)OC(C)(C)C	496868464	ZUBOJAHZXQDMBZ-NSHDSACASA-N	302.419	1.846	50	20	DDGD	
C[C@@H]1OC(=O)N[C@H]1C(=O)NNc1cc(Cl)cc(Cl)c1	496048170	WUSDIAHFKDCKEG-SSDLBLMSSA-N	304.133	1.933	50	20	DDGD	
O=C(NN=Cc1cnc2n1CCOC2)c1cc2c(s1)CCC2	905427335	LEYBMDZWTLFDHB-UHFFFAOYSA-N	316.386	1.727	50	20	DDGD	
O=C(C=C1CCCC1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	826400052	NTSDSSYQCIWFAJ-UHFFFAOYSA-N	319.756	1.859	50	20	DDGD	
CC1CCN(C[C@H](C)C(=O)NN=Cc2ccc(C(=O)O)[nH]2)CC1	828289858	OBNUDNIFJXVDFR-LBPRGKRZSA-N	320.393	1.531	50	20	DDGD	
Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cccc(B(O)O)c3)C2)cc1	584982729	JYBPRKVUFIBVBT-PBHICJAKSA-N	323.201	1.693	50	20	DDGD	
Cc1ccc(Sc2ncccc2C(=O)NCB(O)O)c(C)c1	585062102	CXOJIRUNLIAICV-UHFFFAOYSA-N	316.191	1.591	50	20	DDGD	
CC(C)Cc1ncc(NC(=O)/C(C#N)=C/c2cnn(C)c2)cn1	491127153	AJPNMSVYIDZIDO-WLRTZDKTSA-N	310.361	1.954	50	20	DDGD	
CO[C@H]1CCC[C@@H](Cc2nc(-c3ccc(B(O)O)cc3)no2)C1	585053137	BRHKKSDSDRDEMD-RISCZKNCSA-N	316.166	1.164	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccsc1C#N	905341799	BVUOGKPAHALLBT-UHFFFAOYSA-N	312.420	1.107	50	20	DDGD	
Cc1cccc(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)c1	737391863	KYJHLVJXBUUXDH-UHFFFAOYSA-N	306.329	1.939	50	20	DDGD	
O=C(/C=C/[C@@H]1CCOC1)NNc1ccnc(Br)c1	493752579	JTMADZVZIPKMJT-GPYPMJJRSA-N	312.167	1.880	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)c1ccccc1F)C(F)(F)F	733353451	MRGASQNZXRJCHB-VIFPVBQESA-N	323.246	1.347	50	20	DDGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)O)CC1	833062010	IPGNJIGONLFQHY-YIXHJXPBSA-N	302.290	1.755	50	20	DDGD	
O=C(NCC[C@@H]1COc2ccccc2O1)NNc1ccncn1	836365649	URWKWIMTFNSGIQ-LLVKDONJSA-N	315.333	1.333	50	20	DDGD	
O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CC[C@@H](B(O)O)C1	585063970	APTKMHNWAJKCRS-GFCCVEGCSA-N	312.178	1.736	50	20	DDGD	
C[C@H](N)C[C@H](C)NC(=O)NNC(=O)c1cn(C)c2ccccc12	831203797	ZTCXBYGQZUMPEH-QWRGUYRKSA-N	317.393	1.248	50	20	DDGD	
O=C(Cc1c[nH]c2ccc(Cl)cc12)NNC(=O)NC1CC1	739706593	NSGHXHRVCZURTI-UHFFFAOYSA-N	306.753	1.857	50	20	DDGD	
CCCCCNC(=O)COC(=O)/C(C#N)=C/c1cnn(C)c1	837969662	QAHPRLMRRCSSBF-NTUHNPAUSA-N	304.350	1.177	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2cn3ccsc3n2)nn1	730064162	SOCPAKFAVPKQBT-UHFFFAOYSA-N	303.351	1.321	50	20	DDGD	
Cc1ccc(-c2nc(C)c(C(=O)N3CC[C@H](B(O)O)C3)s2)o1	585070498	YGGCMNPCYBZXCG-JTQLQIEISA-N	320.179	1.709	50	20	DDGD	
Cc1oc(C(C)C)nc1-c1nc(-c2cccc(B(O)O)c2)no1	585051958	GVVVKJHQLCPTMS-UHFFFAOYSA-N	313.122	1.503	50	20	DDGD	
C[C@@]1(C(=O)NCC(=O)NC2CCCC2)C[C@@H]1Br	906451759	DTFITVLPGDHAAH-JOYOIKCWSA-N	303.200	1.335	50	20	DDGD	
OB(O)c1ccccc1CNc1ccc(CCN2CCCC2)cc1	585013378	SNVIOWWCUFMWTD-UHFFFAOYSA-N	324.233	1.617	50	20	DDGD	
CC[C@H]1[C@H](C)CCN1CC(=O)NNC(=O)c1ccc(C#N)cc1	839562761	CAUHSTKGLFROQY-DOMZBBRYSA-N	314.389	1.440	50	20	DDGD	
C[C@@H](C[C@@H](C)N)NC(=O)NNC(=O)Cc1ccc(Cl)cc1	831203542	WJQLWHGJOIDEDC-ZJUUUORDSA-N	312.801	1.339	50	20	DDGD	
O=C(NNc1cnccn1)[C@@H](CN1CCCC1)c1ccccc1	832395853	VQQPRNMAQDSPGS-HNNXBMFYSA-N	311.389	1.799	50	20	DDGD	
CC(C)Oc1cccc([C@H](O)CNS(=O)(=O)CCl)c1	830638687	OONZVKZEZMQMGJ-GFCCVEGCSA-N	307.799	1.623	50	20	DDGD	
CC(C)C(=O)NNC(=O)CCCc1ccc2nc(O)[nH]c2c1	730204739	AMDMQTCFYCRLRD-UHFFFAOYSA-N	304.350	1.395	50	20	DDGD	
Cc1ccc(SCCC(=O)NNC(=O)c2cn[nH]c2)cc1	916144398	LMONMGQDLLOZQM-UHFFFAOYSA-N	304.375	1.662	50	20	DDGD	
C=CC[C@@H](C)NC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836307759	AEWIIJGXWWWWPZ-SECBINFHSA-N	306.322	1.716	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1ccc(OCC)cc1)[C@@H]1CCCO1	838557757	BYDXZBNPBCPTCQ-CABCVRRESA-N	303.362	1.892	50	20	DDGD	
CCN1CCC[C@H]1CNC(=O)NNC(=O)c1ccccc1C	745838998	IYXVVHACKIBIJN-ZDUSSCGKSA-N	304.394	1.423	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCCOc2ccccc21	748256816	DHSPXHGKSJVEQG-LBPRGKRZSA-N	306.362	1.731	50	20	DDGD	
O=C(/C=C/[C@@H]1CCOC1)NNc1cc(O)nc2ncccc12	913988529	ZYIGHBHMIWBKTQ-HMDXOVGESA-N	300.318	1.371	50	20	DDGD	
C[C@H](NC(=O)c1ccoc1)C(=O)NNc1ccc(Cl)nc1	743818037	KPBDMPGIRFHVBV-QMMMGPOBSA-N	308.725	1.590	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)c1nnc(O)c2ccccc12	916320024	CMUQEYYZOKKPBB-UHFFFAOYSA-N	324.344	1.450	50	20	DDGD	
Cc1cc(C)c2c(c1)C(=NNC(=O)[C@@H]1CCO[C@@H]1C)C(=O)N2	842552924	CQGLETIQPOKCFW-GHMZBOCLSA-N	301.346	1.501	50	20	DDGD	
Cn1c(CC(=O)NCC(Cl)Cl)nnc1-c1ccccc1	848069880	ZQZBLXWNAOPHIV-UHFFFAOYSA-N	313.188	1.945	50	20	DDGD	
CN1CCNC[C@@H]1C(=O)NN=C(c1ccccc1)c1ccccc1	911929407	KBICLHLZTGMHTE-QGZVFWFLSA-N	322.412	1.459	50	20	DDGD	
CCN(CC)CCOc1ccc(C(=O)NN(C)C[C@H](C)O)cc1	910170684	PPASPFXXAFXBOK-AWEZNQCLSA-N	323.437	1.365	50	20	DDGD	
COc1nc2sccn2c1C=NNC(=O)c1ccccc1O	744578608	PKSUIIAULBORBG-UHFFFAOYSA-N	316.342	1.874	50	20	DDGD	
O=C(NNC(=O)[C@H](C[C@@H]1CCCO1)C(F)(F)F)NC1CC1	845297300	TYPYMDHVXAOHTM-IUCAKERBSA-N	309.288	1.227	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Cc1cnn(-c2ccccc2)n1	915685660	INQGPYGDSHIMRD-UHFFFAOYSA-N	317.349	1.366	50	20	DDGD	
C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)NNC(=O)C1CCCC1	747360568	XRZDWJLBEZBBGG-YVEFUNNKSA-N	304.390	1.879	50	20	DDGD	
CC(=O)NCc1ccc(C(=O)NNC(=O)CC(F)(F)F)cc1	918365892	OTKKQLXAFIXMGT-UHFFFAOYSA-N	317.267	1.036	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)c2cc3ccccc3o2)n[nH]1	749572008	BQDSCZIJFDKVQB-UHFFFAOYSA-N	313.317	1.609	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)o1	840915296	GAZXFXALJCGWOZ-GXTWGEPZSA-N	320.370	1.708	50	20	DDGD	
COc1ccc(C(=O)NNc2ccnc(N(C)C)n2)c(O)c1	740113909	KEJMSKUKGOQHMX-UHFFFAOYSA-N	303.322	1.014	50	20	DDGD	
CCc1ncc(C=NNC(=O)c2ccc3c(c2)OCCO3)cn1	841617031	UIWONNNLPNWNTO-UHFFFAOYSA-N	312.329	1.574	50	20	DDGD	
CCNCCCNC(=O)NNC(=O)c1cccc2ncccc12	841917719	SKRIISWXKLWAQP-UHFFFAOYSA-N	315.377	1.178	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CNC2(C3CCC3)CC2)cc1	844418035	PAIKTVJLBBXUMI-UHFFFAOYSA-N	301.390	1.678	50	20	DDGD	
NC1(CNC(=O)NNc2cccc([N+](=O)[O-])c2)CCCCC1	841922087	ARGQOSFLKYQHLR-UHFFFAOYSA-N	307.354	1.883	50	20	DDGD	
CCC(=NNC(=O)Cc1nc2ccccc2n1C)c1cnn(C)c1	741805631	SEVGUOAKJIOACF-UHFFFAOYSA-N	324.388	1.780	50	20	DDGD	
O=S(=O)(CBr)N[C@@H]1C[C@H]1c1ccccc1F	841543055	SNOWDPBEJRMYTD-WCBMZHEXSA-N	308.172	1.953	50	20	DDGD	
C#CCOc1ccc(C(=O)NNC(=O)c2ccc(C)cc2O)cc1	743312891	IBHDZODMJFIMRI-UHFFFAOYSA-N	324.336	1.787	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1ccn(CC)n1	844130365	ZVEHEICDPUURLB-UHFFFAOYSA-N	316.361	1.305	50	20	DDGD	
CCN[C@H](C)CNC(=O)NNC(=O)COc1cc(C)cc(C)c1	841986693	VLZXKIQOKVBVPG-CYBMUJFWSA-N	322.409	1.011	50	20	DDGD	
CCC[C@@H](C)[C@@H]1CCCN1C(=O)NNC(=O)c1ncccn1	841592560	RVDMVCZUGJUUSW-NEPJUHHUSA-N	305.382	1.732	50	20	DDGD	
CC(C)O[C@@H]1C[C@H](NC(=O)NNC(=O)c2ncccn2)C1(C)C	841582155	JYLGKSCWEGUQQH-WDEREUQCSA-N	321.381	1.013	50	20	DDGD	
O=C(NNC(=O)c1ccncc1F)c1ccc2c(c1)OCO2	741207329	RZYHDGBVSPDEBK-UHFFFAOYSA-N	303.249	1.024	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)c1c(C)nc2ccccn12	749873771	IBQOOKKKNSOISM-UHFFFAOYSA-N	309.329	1.421	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NC[C@@H](OC)C(C)C)cc1	845024354	AGGAFBVEWORWAV-CQSZACIVSA-N	323.393	1.699	50	20	DDGD	
CCC(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)ccc1F	843660983	LYWBOABKGNMXIR-MWLCHTKSSA-N	322.336	1.604	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@H]1NC(=O)O[C@@H]1C	841413980	OHTIOQSPKDZGQX-SKDRFNHKSA-N	300.318	1.483	50	20	DDGD	
COc1cc(C=NNC(=O)C(=O)NC2CC2)ccc1OC(C)C	744824173	RGWBVLIFEXTQRR-UHFFFAOYSA-N	319.361	1.211	50	20	DDGD	
CCCC[C@H](CN)NC(=O)NNC(=O)COc1ccc(C)cc1	841960035	YTSZJECRAOUJNA-CYBMUJFWSA-N	322.409	1.222	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1c(C)nn(C(C)C)c1C	746488770	LCLPJITWBLCCQR-UHFFFAOYSA-N	305.382	1.200	50	20	DDGD	
Cc1cccc(C2(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)CC2)c1	843643835	APKLYPDSZZNDBV-GXTWGEPZSA-N	302.374	1.599	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)C2SCCCS2)n1	841419774	MFLHOOLMTSEJOU-UHFFFAOYSA-N	305.816	1.352	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)C[C@@H](OC)C1CCCCC1	849307579	ZFTCTPMFPUWRFN-GFCCVEGCSA-N	321.443	1.125	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NNc2nc3ccccn3n2)C1	857863855	DNSSZVZKOFGLAA-KOLCDFICSA-N	311.349	1.262	50	20	DDGD	
C=C(CBr)COC(=O)c1nc(OC)cc(OC)n1	923366693	OXTSZRWEPGOCEG-UHFFFAOYSA-N	317.139	1.602	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1ccc(-n2cccn2)cc1	920829992	OMRZGIUXOJJPFM-UHFFFAOYSA-N	315.377	1.932	50	20	DDGD	
Cc1ccc(C(N)=O)cc1NC(=O)NNC(=O)C1CCCC1	756262382	OZWSRNWZPQEBSF-UHFFFAOYSA-N	304.350	1.437	50	20	DDGD	
Cc1nn(C(C)(C)C)c(C)c1C(=O)NNC(=O)c1cc[nH]n1	855359334	NVLBJJBNYXJQFS-UHFFFAOYSA-N	304.354	1.053	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2nc3cnccc3s2)n1	857486573	NVUBLRCOSNSTKW-UHFFFAOYSA-N	321.753	1.474	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1CCc2c(Cl)cccc21	755289135	DWBZCHQKYIYRLG-LBPRGKRZSA-N	318.764	1.483	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)c2ccc(Cl)nc2)[C@H]1C	858556813	CUHDAFXJLBQPOA-UOKLYIGXSA-N	311.769	1.556	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1c(N)cccc1[N+](=O)[O-])C1CC1	855098588	JPBPYCSQERZAFT-ZETCQYMHSA-N	323.378	1.084	50	20	DDGD	
COC(C)(C)CN(C)C(=O)NNC(=O)c1ccc(C#N)cc1	758866051	XMKFCTACURMKJC-UHFFFAOYSA-N	304.350	1.269	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)c1ccc2nc[nH]c2n1	755452441	OPEADIQWZQZFII-UHFFFAOYSA-N	321.296	1.779	50	20	DDGD	
CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)NNC(=O)CC)C1(CC)CC	759438062	TUWMPFHMAXFACL-RWMBFGLXSA-N	313.442	1.506	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@H](NC(=O)NNC(=O)c2cccc(F)n2)C1(C)C	852241261	AMIMGULQTRZHQL-KPXOXKRLSA-N	324.356	1.224	50	20	DDGD	
COCCn1nc(C(=O)NNc2cc(F)ccc2C)ccc1=O	855365728	RRMQOQANIHXHBE-UHFFFAOYSA-N	320.324	1.094	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2nn(C)c(C)c2Cl)n1	857541274	OOHFECHIDVEZBD-UHFFFAOYSA-N	315.164	1.891	50	20	DDGD	
C[C@@]1(CNC(=O)NCCC2=CCNCC2)C[C@H]1Br	857104088	PXPNXKFJMMLWFL-YPMHNXCESA-N	316.243	1.769	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1nnc(C(F)F)s1	756220825	WDVAKSQIUXFACE-UHFFFAOYSA-N	319.215	1.581	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1	755516939	VVUOHVFATPWWJZ-UHFFFAOYSA-N	317.353	1.150	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)C2CCCC2)C[C@@H]1Br	856850898	DVULNZSDULGRPO-CABZTGNLSA-N	318.215	1.681	50	20	DDGD	
CCOCC(=O)NN=Cc1ccc(NC(=O)OC(C)(C)C)nc1	755893577	ODQGYFGKDKIACT-UHFFFAOYSA-N	322.365	1.915	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)OCC(F)(F)F)cc1	856025254	PUHCCDTTZCJRGL-UHFFFAOYSA-N	319.239	1.253	50	20	DDGD	
COc1ccc(O)c([C@H](C)NC(=O)NNC(=O)C2CCCC2)c1	753344855	OOZRDPBYCXVLDC-JTQLQIEISA-N	321.377	1.982	50	20	DDGD	
O=C(NCCCO[C@H]1CCOC1)NNc1ccc(Cl)cn1	852198998	DUCNYHOWZGKWDR-NSHDSACASA-N	314.773	1.557	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1c(O)nnc(C)c1C	751170547	ORBISBOLBMUGHJ-UHFFFAOYSA-N	319.273	1.935	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CN2CCSC2=O)c1C	855628003	KJHSYQBBVHKEMA-UHFFFAOYSA-N	323.374	1.394	50	20	DDGD	
CCc1noc(COCC(=O)NNc2cc(F)cc(OC)c2)n1	935024405	QQTXQDBLDBRHAL-UHFFFAOYSA-N	324.312	1.440	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cccnc2C2CC2)cc1	751748084	JISIYOZEOUADLO-UHFFFAOYSA-N	306.325	1.905	50	20	DDGD	
CCC(CC)(C(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1	862455666	IEVHVQUBOPIMIG-ZDUSSCGKSA-N	317.389	1.170	50	20	DDGD	
CO[C@@](C)(C(=O)NN=c1cc[nH]c(C)c1)c1ccccc1F	862512220	OMSWIOMMKSQJEZ-MRXNPFEDSA-N	303.337	1.956	50	20	DDGD	
CC(C)[C@H](NC=O)C(=O)NNc1cccc(C(F)(F)F)n1	863883461	AWUOOYNNNKCKIZ-JTQLQIEISA-N	304.272	1.314	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNC(=O)c2cn[nH]c2)cc1	862472867	VMUKUUMMHRXBBG-SNVBAGLBSA-N	302.334	1.058	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1c(C(F)F)nc2n1CCCC2	864888735	FZTVMFXRHBEZEN-UHFFFAOYSA-N	314.336	1.964	50	20	DDGD	
CCOCC(=O)NN=C(C)c1cnn(Cc2ccccc2)c1	760252189	ANSOGJWNUOSJBG-UHFFFAOYSA-N	300.362	1.808	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cnn(CC)c2C)cc1	864493190	WTWREJXYYUXSOL-UHFFFAOYSA-N	300.362	1.849	50	20	DDGD	
Cc1noc(CCC(=O)NNc2cc(C#N)cc(Cl)n2)n1	768703823	VIPMQIVMGFEDCS-UHFFFAOYSA-N	306.713	1.374	50	20	DDGD	
Cc1coc(-c2cccc(NCc3ccccc3B(O)O)c2)n1	864031070	UQXQRSUPZYDGMY-UHFFFAOYSA-N	308.146	1.942	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)c2cnccn2)[C@@H](C)C1	761252160	FNBGFVDNVZVULP-WDEREUQCSA-N	304.350	1.562	50	20	DDGD	
C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccc(B(O)O)cc1	867296352	KRTSRKKMQWIUFF-MWLCHTKSSA-N	315.100	1.169	50	20	DDGD	
C/C=C\C(=O)NNC(=O)COc1ccc(Br)cc1	871047122	VIRNSQNTAYWVSW-IHWYPQMZSA-N	313.151	1.551	50	20	DDGD	
CCC1(C(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)COC1	768260635	LVXOFCXZDYJSKZ-UHFFFAOYSA-N	320.374	1.326	50	20	DDGD	
O=C(Cc1cccnc1Cl)NNC(=S)NCC1CCC1	869217236	RICPDDAXGJXKMJ-UHFFFAOYSA-N	312.826	1.573	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=CCC[C@H]1C[C@H]2CC[C@H]1C2	768778008	TYWWVWZSIALIMR-RNJOBUHISA-N	315.439	1.243	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1ccn(-c2ccccc2)n1	766702738	GSSMKBMYDPUUNV-UHFFFAOYSA-N	305.341	1.960	50	20	DDGD	
C[C@@H]1CCC[C@@H](C=NNC(=O)CNC(=O)c2cccnc2)C1	768366386	FRHWOCYKLDWDGG-CHWSQXEVSA-N	302.378	1.740	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2noc3c2CCCC3)c1	862477085	FZQFNPJWEIMTJM-UHFFFAOYSA-N	305.359	1.998	50	20	DDGD	
CCNC(=O)NNS(=O)(=O)c1oc2ccc(F)cc2c1C	760342669	MPVIULQBMZYBKV-UHFFFAOYSA-N	315.326	1.393	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc2c(c1)OC(F)(F)O2	872399982	MGCDLUKPDLNUTQ-UHFFFAOYSA-N	316.260	1.121	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cc(C)cnc1Br	879621782	ZKCBPEUHHVJKQW-UHFFFAOYSA-N	317.143	1.887	50	20	DDGD	
Cc1noc(C)c1NC(=O)C(=O)NNc1ncccc1Cl	1116559414	QWLXHCJIDWKEBA-UHFFFAOYSA-N	309.713	1.422	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)COc1cccc(C)c1	772867310	LELKGPUCLBZDEA-UHFFFAOYSA-N	302.334	1.051	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc[nH]1	875421983	IMYGPXROLSCEHD-RBSFLKMASA-N	316.405	1.786	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@H](C)CC(C)(C)C	772032927	PBYCWNVQJALQBM-QWRGUYRKSA-N	300.399	1.938	50	20	DDGD	
NC(=O)[C@@H](NC(=O)CCl)c1cccc(Br)c1	1116437544	GGYAEMAXWZOHJV-VIFPVBQESA-N	305.559	1.331	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CC12CCCC2	772169374	HBJJKVLBDYOAAP-VXGBXAGGSA-N	310.394	1.692	50	20	DDGD	
O=C(NCC(Cl)Cl)[C@@H]1CC12CCS(=O)(=O)CC2	1118378016	KMGSSKBPTUNQSW-ZETCQYMHSA-N	300.207	1.121	50	20	DDGD	
COc1nc(Cl)c(/C=C(\C#N)C(=O)C2CCOCC2)n1C	1116889566	DQQZMMOPXQBCTP-JXMROGBWSA-N	309.753	1.985	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNc1cccc(S(C)(=O)=O)c1	776537079	HVNFCCBKHSCGBS-ZDUSSCGKSA-N	311.407	1.018	50	20	DDGD	
Cc1ccc(-n2[nH]c(C(=O)NNc3cnccn3)cc2=O)cc1	775279986	BFNSRTLGVSMYDU-UHFFFAOYSA-N	310.317	1.021	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@H]1CC[C@H](C)C1	776337208	XQPAFQVZLJQPCT-RYUDHWBXSA-N	306.362	1.658	50	20	DDGD	
C[C@@H](CBr)COC(=O)C[C@H]1CCS(=O)(=O)C1	770332066	YUEMRDQRFZKTEB-DTWKUNHWSA-N	313.213	1.385	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCc1nccc(N)n1	771045364	AIXOBDIILFJXGA-UHFFFAOYSA-N	308.773	1.041	50	20	DDGD	
CC(C)[C@@](C)(O)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	771354662	RVBDUDVOUIPWQY-MRXNPFEDSA-N	316.361	1.040	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2cc(C)c(C)o2)nc1C	778430061	WRJPLFUUETZFEM-UHFFFAOYSA-N	318.333	1.928	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccccc1-n1ccnn1	772859759	HWHSBYXSGZZABS-UHFFFAOYSA-N	323.360	1.938	50	20	DDGD	
CC(C[C@@H](C)CC(C)C)=NNC(=O)[C@@H]1CCS(=O)(=O)C1	779769247	SVGNDCFNJKOCMR-WCQYABFASA-N	302.440	1.986	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)NC[C@H]1C=CCC1	883781514	MVGTUPZNMRVQJT-NSHDSACASA-N	321.402	1.781	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccccc1CN1CCOCC1	782557939	GTXSHUSTNXOKAW-UHFFFAOYSA-N	320.393	1.328	50	20	DDGD	
O=C(NNc1ncccn1)c1c[nH]nc1-c1ccc2c(c1)OCO2	785159655	PSNGXBFFODYZJS-UHFFFAOYSA-N	324.300	1.352	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)C12CCC(CC1)C2	785022428	WWKYFGOLZLBPDA-UHFFFAOYSA-N	306.337	1.932	50	20	DDGD	
COC(=O)C[C@@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)C1CC1	787416126	HKYRWMZDGDBBEF-XETPBLJFSA-N	314.341	1.757	50	20	DDGD	
CC[C@H](O)[C@H](C)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	899949372	UOLSWGZZUUWIBP-UMNHJUIQSA-N	312.341	1.147	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)cccc1[N+](=O)[O-]	787133840	LEEVITURSDFYFR-GHMZBOCLSA-N	320.349	1.638	50	20	DDGD	
COc1ccc(NNC(=O)c2c(C)oc3ncnc(O)c23)nc1	781528124	TZYBSKUHFXSTDF-UHFFFAOYSA-N	315.289	1.397	50	20	DDGD	
O=Cc1ccc(OS(=O)(=O)CBr)c([N+](=O)[O-])c1	782399298	WVESMZJXLLLYEG-UHFFFAOYSA-N	324.108	1.468	50	20	DDGD	
C[C@@H]1CCC[C@@H](OCC(=O)NNC(=S)NC(C)(C)C)C1	899994817	ASWXIKXKBJDDPE-GHMZBOCLSA-N	301.456	1.876	50	20	DDGD	
NC(=O)c1ccccc1C=NNC(=O)c1cc(Cl)ccc1O	788709623	ROYYQPBTAWKPOK-UHFFFAOYSA-N	317.732	1.908	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C(C)C)ccc1C(=O)N(C)C	782579169	YMADYJMDVKAAJF-UHFFFAOYSA-N	306.366	1.506	50	20	DDGD	
C[C@H](Sc1ccccn1)C(=O)NNC(=S)NC(C)(C)C	899995995	CXGUHHDTGSVHRQ-VIFPVBQESA-N	312.464	1.856	50	20	DDGD	
Cc1cccnc1NNC(=O)CNC(=O)CCC1CCCC1	791217742	YHEIKWCQCBTEHR-UHFFFAOYSA-N	304.394	1.920	50	20	DDGD	
COC(=O)Cc1cccc(NC(=O)NNc2ccccn2)n1	792407374	SGTFCPODDNBWJP-UHFFFAOYSA-N	301.306	1.341	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCCOc1cccc(F)c1	899081688	FWXJVSYVDBAWNP-UHFFFAOYSA-N	311.357	1.971	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccccc1OC(F)(F)F	798304406	OYCSQWUGNUFZNQ-UHFFFAOYSA-N	319.308	1.880	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNc2nc3ccccn3n2)s1	791260225	KIVIEHDOQNZUBN-UHFFFAOYSA-N	301.331	1.750	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)COc1cccc(C)c1	792799344	PGRQLRXSPAFINW-IUODEOHRSA-N	308.378	1.582	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1ccc2nnc(C)n2c1	798312537	DIYOPJFFRDSYKJ-UHFFFAOYSA-N	324.344	1.813	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)COc1cc(C)ccc1C	792797362	LLJSIOKEKLNYQD-MLGOLLRUSA-N	322.405	1.891	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1cc(Cl)ccn1	794351114	DPDVETZGJIUVCP-UHFFFAOYSA-N	305.725	1.525	50	20	DDGD	
CCn1ncnc1CNC(=O)NNc1cc(F)c(F)cc1F	793462256	SDHXIIJAAXKLBS-UHFFFAOYSA-N	314.271	1.542	50	20	DDGD	
CC(C)n1cnc(C(=O)NNC(=O)Cc2ccc(F)cc2)c1	798835868	WAUDMWRLCBVOTD-UHFFFAOYSA-N	304.325	1.607	50	20	DDGD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)CNc1ccccc1	794902471	RFRCGBHKHCFZMD-NEPJUHHUSA-N	303.362	1.251	50	20	DDGD	
Cc1ccnc(NNC(=O)Cn2ccc3ccccc3c2=O)c1	790873266	KSBKRYWCVGGBCN-UHFFFAOYSA-N	308.341	1.848	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)c2ccccc2Cl)CCCO1	1319220450	ZAAYRZJEWPYKBX-CQSZACIVSA-N	311.769	1.853	50	20	DDGD	
COc1ccc(Cl)cc1C=NNC(=O)C[n+]1ccccc1	1317910952	YJYLUUCLNLGMCJ-UHFFFAOYSA-O	304.757	1.786	50	20	DDGD	
C[C@@H](CBr)CN1CCC[C@H](NS(C)(=O)=O)C1	186313624	XGENVSDMIBZYMR-UWVGGRQHSA-N	313.261	1.031	50	20	DDGD	
CC(=NNC(=O)CCN1CCC(C)CC1)c1csc(N)n1	1321467582	OQEGXOYHKXXMGT-UHFFFAOYSA-N	309.439	1.688	50	20	DDGD	
C=CCCCCCCCNC(=O)NNC(=O)C1CCNCC1	1325679268	GAFMUZLZSDCEBQ-UHFFFAOYSA-N	310.442	1.843	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)NCCCC(F)F	1332815706	KFBPRUDRFHUOEJ-UHFFFAOYSA-N	319.283	1.580	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NCc1cnccn1	1339885440	QIOIYQBYBDCJQN-UHFFFAOYSA-N	313.361	1.330	50	20	DDGD	
O=C(c1cccc(CCl)c1)N1CCO[C@H](c2nn[nH]n2)C1	1336340262	ABMCWHOCXCUPEQ-NSHDSACASA-N	307.741	1.152	50	20	DDGD	
COC(=O)C(=O)NNC(=O)Nc1ncc(-c2ccccc2)s1	1339863259	YPSFBKQSVFRMIC-UHFFFAOYSA-N	320.330	1.136	50	20	DDGD	
O=C(NNC(=O)c1ccn(-c2ccncc2)n1)NC1CCCC1	1255909142	MUCTYKRFJKPKQJ-UHFFFAOYSA-N	314.349	1.154	50	20	DDGD	
C[C@@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)c1noc(C(F)F)n1	1348966373	IGZOQKQFRZFKOH-WGJZWELTSA-N	322.275	1.525	50	20	DDGD	
C[C@@H]1C(=NNC(=O)c2n[nH]c3c2CCCC3)CC[C@@H]1CC(=O)O	1343881626	ITGDOZSZHXWFLM-VHSXEESVSA-N	318.377	1.895	50	20	DDGD	
O=C(NNC(=O)N1CCc2cc(O)ccc2C1)C1CCCC1	1521482089	DWUGBPDJPYDWLJ-UHFFFAOYSA-N	303.362	1.681	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H](CC(F)F)C(=O)O	1601046389	UFLDSJDENWBMAC-YOOZJCNJSA-N	310.256	1.524	50	20	DDGD	
Cc1cc(C=NNC(=O)Cc2ccc(F)cc2)[nH]c1C(=O)O	1607633262	IUHBZGAULRLTII-UHFFFAOYSA-N	303.293	1.853	50	20	DDGD	
Cc1nnccc1NC(=O)NNc1ccc(CC(=O)O)cc1	1600802233	TYZUWUXUYCTMLI-UHFFFAOYSA-N	301.306	1.561	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2ccc(F)c(C(=O)O)c2)CC1	1608177846	CBGMHVASCSMSIF-UHFFFAOYSA-N	310.306	1.368	50	20	DDGD	
O=C(NNc1cccc(F)c1C(=O)O)c1cnc(C2CC2)[nH]1	1601560744	WVHQDZLLGUCLEG-UHFFFAOYSA-N	304.281	1.881	50	20	DDGD	
CCC(C)(C)N[C@@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1609182936	MLPUOOSCPFVUIX-JTQLQIEISA-N	317.397	1.477	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)CCN2CC[C@H](F)C2)cc1	1602127151	HNWJZLQRVXBNOM-LBPRGKRZSA-N	309.341	1.191	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)CCn2ccccc2=O)cc1	1602127034	CQNBXPAJTARUSK-UHFFFAOYSA-N	315.329	1.009	50	20	DDGD	
Cc1cc(CNC(=O)NNc2cccc(C(=O)O)c2F)on1	1607643553	PNOGRSGAUXCISR-UHFFFAOYSA-N	308.269	1.647	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCN1[C@@H](C(=O)O)CCS1(=O)=O	1603529371	LAOMRWZVDOILGH-SNVBAGLBSA-N	323.487	1.497	50	20	DDGD	
CO[C@H]1C[C@@H](CNC(=O)NNc2ccc(C(=O)O)cc2F)C1	1607006027	BOTQPKVCPWBJMP-WAAGHKOSSA-N	311.313	1.575	50	20	DDGD	
Cc1ncc(C(=O)NNc2ncccc2C(=O)O)c(C2CC2)n1	1605419668	BZIUVRZOLOIFIW-UHFFFAOYSA-N	313.317	1.513	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CC[C@](F)(C(=O)O)C1	1610618248	DTQHBCUHRROYJI-XKOZXHHJSA-N	304.277	1.324	50	20	DDGD	
O=C(NN=Cc1ccccc1Cl)[C@@H]1CN2CCC[C@H]2CO1	1549314716	JYWYJMMAOLVJMN-JSGCOSHPSA-N	307.781	1.653	50	20	DDGD	
C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](F)Cl)[nH]n1	1821876461	XUWGSUSRFSUANE-JOYOIKCWSA-N	312.732	1.569	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)CCCCCN)c(Cl)c1	1579679841	XUHSFZBQAMSLLW-UHFFFAOYSA-N	311.813	1.857	50	20	DDGD	
CCNCc1ccccc1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	1577878201	DNGDAIBHWCNVBR-YPMHNXCESA-N	320.393	1.374	50	20	DDGD	
O=C(C[C@H]1NCc2ccccc21)NNC(=O)c1cccc(F)n1	1580522053	AQIKBZYXYFZVJG-CYBMUJFWSA-N	314.320	1.216	50	20	DDGD	
C[C@@H]1CCc2[nH]nc(C(=O)NNc3ncccc3C(=O)O)c2C1	1589363831	LVWDVNCLAIDFCW-MRVPVSSYSA-N	315.333	1.385	50	20	DDGD	
N[C@@H]1CC=C(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)C1	1580169437	ZVXFTGFXXPCFRG-GFCCVEGCSA-N	312.329	1.150	50	20	DDGD	
CC(C)[C@]1(C)C[C@@H]1NC(=O)NNc1cccc(-c2nn[nH]n2)c1	1589490797	OHRNLQQKQNKRRP-WFASDCNBSA-N	315.381	1.927	50	20	DDGD	
Cc1ccc(NNC(=O)c2ncc(-c3nn[nH]n3)cc2C)cc1	1592185470	YDQWVLSYRLHREF-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](C)C(=O)O)c(C(F)(F)F)c1	1594106452	VBOLJXKQQYSOLO-LURJTMIESA-N	306.240	1.878	50	20	DDGD	
CCC(=O)NNc1ccc(-c2nn[nH]n2)cc1C(F)(F)F	1590365765	MTRRUIYLLBVMMH-UHFFFAOYSA-N	300.244	1.739	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H](O)C1CCCCC1	1593162236	QHXOWYPQJJDVOH-ZDUSSCGKSA-N	316.365	1.251	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)c1	1598335785	ZTAJOSUGQCVAMN-NWDGAFQWSA-N	319.361	1.015	50	20	DDGD	
COc1cc(NC(=O)NNc2ncc(F)cn2)ccc1C(=O)O	1599440285	RYKIUOHRKAWHDQ-UHFFFAOYSA-N	321.268	1.471	50	20	DDGD	
C[C@H]1CCC[C@H]1CNC(=O)NNc1cccc(-c2nn[nH]n2)c1	1590249463	QNAAHOWSFYFPPA-JQWIXIFHSA-N	315.381	1.929	50	20	DDGD	
O=C(NN=Cc1ccn([C@H]2C[C@H](C(=O)O)C2)n1)[C@@H]1CCCS1	1776081693	BFIVCYIWACAVQV-DLOVCJGASA-N	322.390	1.265	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1cccn2c(C(=O)O)cnc12	1776043180	SRLOWHAXJYNSBS-UHFFFAOYSA-N	323.312	1.120	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H]2CCN2C(C)(C)C)[nH]c1C(=O)O	1776098206	BUTNDZRJPOUHGV-NSHDSACASA-N	306.366	1.344	50	20	DDGD	
CCOCC(=O)NN=Cc1c(O)c(C(=O)O)cc2ccccc12	1776044039	ZUEKDLYFDOSNKM-UHFFFAOYSA-N	316.313	1.730	50	20	DDGD	
CCC(=O)N1CCO[C@]2(CCN(C(=O)C(Cl)Cl)C2)C1	1783947681	XRFYGELBDFLROU-GFCCVEGCSA-N	309.193	1.030	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNc1cnc2ccccc2n1	163564544	HOGGVLQCNRAHOI-UHFFFAOYSA-N	301.350	1.235	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccc3c(c2)CCC3)[nH]n1	152946787	LSMZAPHSZAULDV-UHFFFAOYSA-N	314.345	1.047	50	20	DDGD	
COc1cc(C(=O)NNC(=O)Cc2ccccc2F)ccc1F	153603291	MRKRYTFHJZKILF-UHFFFAOYSA-N	320.295	1.977	50	20	DDGD	
CC(C)CO[C@H]1CCN(C(=O)NNC(=O)c2ccccc2)C1	153705307	HYIVNBFSCBVGRT-AWEZNQCLSA-N	305.378	1.788	50	20	DDGD	
O=C(NCC1CC1)NNS(=O)(=O)c1cc(F)c(F)c(F)c1	157704972	PLSFKJSTLRXLGD-UHFFFAOYSA-N	323.296	1.006	50	20	DDGD	
C[C@@H](CC1CCCCC1)C(=O)NNc1ccc(C(N)=O)nn1	154420922	STZMDJKEVNNZPS-JTQLQIEISA-N	305.382	1.625	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)CBr)C[C@H](C)C1(F)F	859260402	UYODUTBYUZAMAM-BQBZGAKWSA-N	306.172	1.892	50	20	DDGD	
CCOc1ccccc1NC(=O)NNC(=O)c1cccnc1	7066986	RGODZVTWANYUGZ-UHFFFAOYSA-N	300.318	1.947	50	20	DDGD	
CCCNC(=S)NNC(=O)c1nn(-c2ccccc2)cc1O	7699160	NVVYSFACSLPVOU-UHFFFAOYSA-N	319.390	1.097	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1csc(-c2ccoc2)n1	108262037	DSXDYWDMZNBISW-UHFFFAOYSA-N	306.347	1.757	50	20	DDGD	
O=C(CCOC[C@@H]1CCCO1)NNC(=O)Cc1ccccc1F	108975141	LGQOCBZMFNBWEB-ZDUSSCGKSA-N	324.352	1.101	50	20	DDGD	
COCCN(CC(C)C)[C@@H](C)C(=O)NNC(=O)CC(C)C	111200213	MIWWLTNEWQUKGT-ZDUSSCGKSA-N	301.431	1.173	50	20	DDGD	
CN(C)C(=O)C1(CNC(=O)NNc2ccccc2)CCCC1	114968719	DTFMRQVHYVLBSJ-UHFFFAOYSA-N	304.394	1.961	50	20	DDGD	
Cc1nn(-c2ccccc2)cc1C(=O)NNC(=O)c1ccncc1	170664353	GPSAIRSTCVNRRX-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCn2ccnc2C1)c1cccc(Cl)c1	178723101	VIDHUUIBCWLTNC-NSHDSACASA-N	318.764	1.560	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2cccnc2)s1	27800749	MTIOIRHCCVAANP-UHFFFAOYSA-N	305.315	1.005	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCc2ccc(O)nc2)cc(C#N)n1C	172334002	QBQODZTYSSTPLW-LHHJGKSTSA-N	321.340	1.529	50	20	DDGD	
C[C@@H](NC(=O)NNc1cc(F)c(F)c(F)c1)C(=O)N(C)C	175310043	PONKRHNZGHELAM-ZCFIWIBFSA-N	304.272	1.207	50	20	DDGD	
C=C(C)CCC(=O)NNC(=O)c1cc(Br)c[nH]1	1357336694	JSEMPOBISGLYBR-UHFFFAOYSA-N	300.156	1.895	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)cn1	117962728	CWUSDEZXUZAETK-QWHCGFSZSA-N	317.324	1.059	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCc2nccs2)n1	175412164	GLUXZXLIEJQBIC-UHFFFAOYSA-N	308.367	1.119	50	20	DDGD	
COc1ncnc(OC)c1C(=O)NNc1ccc(F)cc1F	178974556	JECDSAHDOHTJOO-UHFFFAOYSA-N	310.260	1.529	50	20	DDGD	
O=C(NNc1cccc(Cl)c1)[C@H]1CC(=O)N(c2cn[nH]c2)C1	178100819	FDIXPGGUWOBVJX-VIFPVBQESA-N	319.752	1.559	50	20	DDGD	
COc1ccc2c(c1)C[C@H](C(=O)NNC(=O)c1ccc[nH]1)CO2	124417517	UHAVXUCCUKNUSR-NSHDSACASA-N	315.329	1.036	50	20	DDGD	
O=C(COC1CCCC1)NNC(=O)Cn1cnc2ccccc21	78870494	PPWKHMPAMDKMJJ-UHFFFAOYSA-N	316.361	1.143	50	20	DDGD	
CSCC[C@@H](C)N(C)CC(=O)NNC(=O)c1ccc(C)cc1	126596339	QHQYMMDDUFLSTI-CYBMUJFWSA-N	323.462	1.829	50	20	DDGD	
COC[C@H](C)NC(=O)NNC(=O)Cc1ccc2ccccc2c1	79115509	NHDAGDJPZVJTMT-LBPRGKRZSA-N	315.373	1.748	50	20	DDGD	
O=C(NNc1ccc(F)cc1)C(=O)N1CCc2c(F)cccc21	185811479	TUBHJEMKYIJUKS-UHFFFAOYSA-N	317.295	1.997	50	20	DDGD	
CCn1ncc2ccc(NC(=O)NNC(=O)c3cccnc3)cc21	184667358	QSOPCCPZWYAPAV-UHFFFAOYSA-N	324.344	1.918	50	20	DDGD	
CC[C@@H](CC1CCCCC1)C(=O)NNC(=O)C(=O)NC(C)C	74688196	PMLOAOGPHDSPNZ-ZDUSSCGKSA-N	311.426	1.655	50	20	DDGD	
CCc1ccnc(C(=O)NNC(=O)COc2ccc(C#N)cc2)c1	181661387	XMDTTYPLMZEUCC-UHFFFAOYSA-N	324.340	1.356	50	20	DDGD	
CO[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ccccc1F	75099984	SMTKMYDCNZPXTE-QWHCGFSZSA-N	309.341	1.727	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCc2ccco2)nn1C(C)(C)C	138885191	BTSHPIFZQFGZBD-UHFFFAOYSA-N	319.365	1.684	50	20	DDGD	
O=C(CSc1nnnn1C1CC1)NNc1ccc(F)cc1	42065386	ZYCZIHWPZUDHRL-UHFFFAOYSA-N	308.342	1.383	50	20	DDGD	
CCOC(=O)[C@H](CC(C)C)NNC(=O)c1ccccc1OC	180991130	KRXDNDBOXDFVER-ZDUSSCGKSA-N	308.378	1.907	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)CCc1c[nH]cn1	193125481	VOMBVWLTENYQPS-UHFFFAOYSA-N	300.362	1.513	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)CCc2ccccc2)cn1	132466592	SOANMLURXRLXOZ-UHFFFAOYSA-N	313.357	1.874	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1ccn(CC(F)F)n1	192999034	KEYROERMAKTEOB-UHFFFAOYSA-N	300.309	1.490	50	20	DDGD	
O=C(/C=C/c1ccc2c(c1)OCO2)NNc1nc2ccccn2n1	191913118	XLBMAUPBORTBRR-FNORWQNLSA-N	323.312	1.615	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@H]1COc2ccccc2C1	81026969	KMRSBCVKVIERCI-CQSZACIVSA-N	311.341	1.023	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)C1CCOCC1	134908639	GHBVEWOCGHCBPY-NSHDSACASA-N	323.368	1.514	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)NCc2ccco2)cc1	80582328	VJRCRUYBVRFPTR-UHFFFAOYSA-N	317.349	1.882	50	20	DDGD	
O=C(CNC(=O)c1cccc(F)c1)NNC(=O)CC1CCCC1	195216058	ILJDXGGHRDWONS-UHFFFAOYSA-N	321.352	1.283	50	20	DDGD	
C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)C(C)(C)O	190068814	BLBVCBWNRJESAI-NSHDSACASA-N	322.405	1.670	50	20	DDGD	
O=C(NNc1cnccn1)Nc1ccc(NC(=O)C2CC2)cc1	92225611	TYCATQFYPULVGQ-UHFFFAOYSA-N	312.333	1.974	50	20	DDGD	
O=C(NN=Cc1ccc(O)cc1O)c1cc([N+](=O)[O-])ccc1O	254736198	JFZGOHCLYVIUEY-UHFFFAOYSA-N	317.257	1.476	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)CCOc1ccc(F)cc1	266036926	NYOFXUWZQZAYAT-UHFFFAOYSA-N	318.370	1.201	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@H]1CCCCO1	269422527	WJWMUMPXWDWIPO-GFCCVEGCSA-N	309.391	1.582	50	20	DDGD	
COc1cc(CNC(=O)NNc2nc(C)cc(OC)n2)ccn1	267006666	ZXWMARWUHBWHDA-UHFFFAOYSA-N	318.337	1.024	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@]2(C)CCO[C@@H]2C2CC2)nn1	364161366	SAPLUAINIAOUJV-HIFRSBDPSA-N	305.382	1.616	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)C(=O)c2c(C)nn(C)c2C)c1	268401420	JNVWGQDWYVTUFV-UHFFFAOYSA-N	304.325	1.810	50	20	DDGD	
CN1N=C(C(=O)NNc2nccc3sccc23)CCC1=O	363542002	PXBYTIZOKNCFBK-UHFFFAOYSA-N	303.347	1.348	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccnn1Cc1ccccn1	276057505	QBBUEQGQUUSJMF-UHFFFAOYSA-N	317.353	1.024	50	20	DDGD	
COCC[C@H](NC(=O)NNC(=O)c1ccc[nH]1)c1ccco1	272717614	DQFBQNLKEDAYEY-JTQLQIEISA-N	306.322	1.330	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H]1CCN(c2ccccc2Cl)C1	367689783	VWTCSSOMPHJKLL-JTQLQIEISA-N	311.769	1.944	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccc(-n2cccn2)c(F)c1	273461752	GDUUQUCUPCGUPY-UHFFFAOYSA-N	317.324	1.964	50	20	DDGD	
Cc1cccnc1NNC(=O)C[C@H](C)NC(=O)C1CCCC1	276714426	KSXHMUVQMAVJOR-LBPRGKRZSA-N	304.394	1.918	50	20	DDGD	
Cn1ccc2ccc(NC(=O)C(=O)NNC(=O)CC3CC3)cc21	274103323	XICHLXWHMWDZKW-UHFFFAOYSA-N	314.345	1.064	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1cccnc1OCC(F)F	273415377	INWFZQYZYUIRHF-UHFFFAOYSA-N	314.292	1.678	50	20	DDGD	
CNc1nnc(CC(=O)Oc2ccc([N+](=O)[O-])cc2OC)s1	273620184	QIIYFRHBAJSLLO-UHFFFAOYSA-N	324.318	1.645	50	20	DDGD	
CCOC(=O)N1CCC[C@H](C(=O)NNc2cccc(OC)n2)C1	272520555	LESLGAFSQYDYGK-NSHDSACASA-N	322.365	1.402	50	20	DDGD	
O=C([C@H]1CCN(CCI)C1)N1CCCC1	376534335	VQBUCJCGIAUAKO-JTQLQIEISA-N	322.190	1.366	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNc1nnc(-c2ccccn2)s1	373751340	PMINYCRPBJWLDN-UHFFFAOYSA-N	314.374	2.004	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H]1CCc2c[nH]nc2C1	370425178	PYIQHMPXFIDQEQ-LBPRGKRZSA-N	321.812	1.749	50	20	DDGD	
CO[C@H]1CCC[C@@H](CC(=O)NNc2cc(Cl)nc(N)n2)C1	281761459	ZWGNQNZCNWUNFA-BDAKNGLRSA-N	313.789	1.751	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2cc(F)c(F)cc2F)CC1	281686305	UYOJLCSZTJFSCP-UHFFFAOYSA-N	308.281	1.124	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1ccc(N2CCCC2)nn1	286662189	VKCBFOVLMJQSAP-UHFFFAOYSA-N	302.313	1.368	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CCCN1C(=O)c1cccs1	286437083	RKYZBKTYBNRGIL-VIFPVBQESA-N	311.363	1.082	50	20	DDGD	
C[C@@H](C(=O)NNc1cccnn1)N(C(=O)OC(C)(C)C)C1CC1	295860838	OHVXBKWAGITKKN-JTQLQIEISA-N	321.381	1.708	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1cccnc1F	806897324	RMANGLCIPRWYTH-UHFFFAOYSA-N	303.293	1.199	50	20	DDGD	
C[C@@H]1CC(=O)N[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2)C1	292820243	XWTNSCXSDNWSPI-KWQFWETISA-N	309.753	1.016	50	20	DDGD	
O=C1CSc2cc(C(=O)NNC(=O)C3CCC3)ccc2N1	290924720	YBPKMGPAPSEXSJ-UHFFFAOYSA-N	305.359	1.292	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NOC(C)(C)CO)cc1	296821844	GEIJVEWAJSSQNS-UKTHLTGXSA-N	304.346	1.811	50	20	DDGD	
CC1(C)[C@H]2CC[C@@]1(C(=O)NNc1ncnc3nc[nH]c13)C(=O)C2	295782148	JHNUYARLYOKSDH-AYVTZFPOSA-N	314.349	1.191	50	20	DDGD	
O=C(NNC(=O)N[C@H]1CCSC1)Nc1cc(F)cc(F)c1	296251653	AJSOSIQUKMPWCP-VIFPVBQESA-N	316.333	1.806	50	20	DDGD	
C[C@H]1CCC[C@](CNC(=O)NNc2ccncn2)(N(C)C)C1	296410241	LBPRFOIHUQSFBM-WFASDCNBSA-N	306.414	1.613	50	20	DDGD	
Cc1nc(C2CC2)nc(S)c1C(=O)NNc1ncncc1F	294183442	WXOWKJGTFFKSJF-UHFFFAOYSA-N	320.353	1.637	50	20	DDGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)CC(N)=O)c1C	298489733	ISWXATKCFOWUMW-OQLLNIDSSA-N	316.405	1.756	50	20	DDGD	
O=C(NNc1cccc(F)c1)C(=O)N1CCc2cc(F)ccc21	802570250	JZPAOLSOYZOLOW-UHFFFAOYSA-N	317.295	1.997	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	293865775	ISFLMBMEZGYNRS-OBJOEFQTSA-N	306.362	1.477	50	20	DDGD	
COCCOc1cncc(C(=O)NNc2ncccc2F)c1	804213410	KDKGUFBZUYKOMG-UHFFFAOYSA-N	306.297	1.398	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2nonc2C)c(Cl)c1	802051575	VEHRYAKOSVPACQ-UHFFFAOYSA-N	309.713	1.806	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(Br)o1	814864407	COVDZEHTCUSPEY-QMMMGPOBSA-N	319.155	1.544	50	20	DDGD	
CC(=NN(C)C(N)=O)c1nnn(-c2cccc(Cl)c2)c1C	814890913	GNJNMCRQSXTSFA-UHFFFAOYSA-N	306.757	1.964	50	20	DDGD	
CCCN1C[C@H](CNC(=O)NNc2ccc(F)cc2)CC1=O	817788524	RMUUUUISTZMQLH-NSHDSACASA-N	308.357	1.710	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(C(C)=O)c(O)c1	816971285	YPFXQRCJYPCREP-UHFFFAOYSA-N	302.290	1.150	50	20	DDGD	
O=C(NCc1ccccc1[N+](=O)[O-])NNc1ncncc1F	814278385	PVLPTFDUVLODBF-UHFFFAOYSA-N	306.257	1.350	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)Cn2ccc3ccccc32)c(C)o1	814313759	JSHZMULHUADZCG-UHFFFAOYSA-N	312.329	1.707	50	20	DDGD	
C[C@@H](Cc1cnc2ccccc2n1)C(=O)NN=c1cc[nH]cc1	816011673	WFGSNTRJXSLERG-LBPRGKRZSA-N	307.357	1.769	50	20	DDGD	
COc1cccc(COCC(=O)NNc2ncncc2F)c1	817077478	GWZCPRMZCUEAJO-UHFFFAOYSA-N	306.297	1.284	50	20	DDGD	
COc1cc(OC2CC2)ccc1C(=O)NNc1ncncc1F	817067350	KERQBCGUJDFOJD-UHFFFAOYSA-N	318.308	1.922	50	20	DDGD	
C=C(C)C(C)(C)C(=O)NNC(=O)CNc1ccccc1OC	819840033	YHSYPLPSGQXSHA-UHFFFAOYSA-N	305.378	1.857	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)c2ccc(Cl)cc2)n1	814700153	XMHWXKUAZKWTPP-UHFFFAOYSA-N	307.741	1.335	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=C[C@H]2CCCOC2)C[C@@H](C)O1	814766269	GTHHLSSLVQJENU-BYNSBNAKSA-N	311.426	1.260	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)C1SCCS1	819710356	HWNBLLULBOPYBY-UHFFFAOYSA-N	316.379	1.862	50	20	DDGD	
Cc1ccc(F)c(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1	727098852	IBHYNMOSQBYHLE-UHFFFAOYSA-N	316.288	1.938	50	20	DDGD	
Nc1cc(C(=O)NN=C2CCC(C(=O)O)CC2)cc([N+](=O)[O-])c1	814753632	SJBGHWQKFGMYRX-UHFFFAOYSA-N	320.305	1.538	50	20	DDGD	
CC(C)Cn1cccc(C(=O)NNc2ncc(Cl)cn2)c1=O	826850396	PMTSRTMGFROBMR-UHFFFAOYSA-N	321.768	1.705	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](C)OCc1ccc(F)cc1	823176121	OMEVMJYQDYMMHK-SNVBAGLBSA-N	320.324	1.224	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)/C=C1/SCC(=O)N1C	822483847	VWXBQEHNHMKLJV-IZZDOVSWSA-N	307.379	1.090	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(C(=O)OC)c(C(=O)O)c1	829818094	PRSINNFDVVHKQK-CMDGGOBGSA-N	318.285	1.554	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cccc(OCc2cccnc2)c1	823971155	PUTIWVVANFWAJX-CYBMUJFWSA-N	315.373	1.618	50	20	DDGD	
C=CCOCC(=O)NNC(=O)c1ccc(Br)s1	729301426	NIPQCYBDNXJMCB-UHFFFAOYSA-N	319.180	1.474	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccc2c1CCN2C(C)=O	495417815	DOVQKGSTBPTNRS-UHFFFAOYSA-N	306.322	1.378	50	20	DDGD	
CN1CCC[C@@H]1C(=O)NNC(=O)c1cccc(OC(F)F)c1	728609360	ALBPJQMVLWLMAB-LLVKDONJSA-N	313.304	1.143	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NS(=O)(=O)CC)c1C	490636852	CQULZLHRVLEITG-NTEUORMPSA-N	323.418	1.888	50	20	DDGD	
COC(=O)N1CCC(=NNC(=O)Cc2ccccc2F)CC1	491301819	MQMXFXUXLCBOPV-UHFFFAOYSA-N	307.325	1.703	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)CCCc1ccccc1	827281332	HDUPPTLMLLNNGO-ZFWWWQNUSA-N	319.405	1.717	50	20	DDGD	
CCOc1ncccc1NC(=O)NNC(=O)c1cccnc1	726872412	AKBHDXJWYSYDSR-UHFFFAOYSA-N	301.306	1.342	50	20	DDGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cnn(C)c2)c(N(C)C)n1	827553109	ZLZSAJLCOKUXRN-NTUHNPAUSA-N	310.361	1.735	50	20	DDGD	
COC(=O)NNC(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1	491934800	WWCYPFYTIFHEEJ-UHFFFAOYSA-N	323.349	1.963	50	20	DDGD	
CC1CC(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)C1	824867637	PWWMVFAZQQOZCI-UHFFFAOYSA-N	307.745	1.404	50	20	DDGD	
CCc1nc2ccc(C(=O)NN(CC)CCO)cc2nc1CC	823841309	HAIDCZADLVZCAH-UHFFFAOYSA-N	316.405	1.714	50	20	DDGD	
COc1ccc(C(=O)N2CC[C@@H](B(O)O)C2)c(OCC2CC2)c1	585065541	YYHDHSPVEQHXBK-GFCCVEGCSA-N	319.166	1.173	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CC(C)(C)CNC(=O)OC(C)(C)C	822559110	ZHQMBCSFGXOBPT-NSHDSACASA-N	317.430	1.271	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C/c1ccc(O[C@@H](C)C(=O)O)cc1	490945109	ZXKXAJQXTOQSSW-GJSJWPQCSA-N	300.314	1.748	50	20	DDGD	
C[C@]1(C(=O)N2CCO[C@@H](C(F)(F)F)C2)C[C@@H]1Br	906766608	BBSYGGFDVFEXEZ-OOZYFLPDSA-N	316.117	1.950	50	20	DDGD	
C=CCN1CC[C@H](N(C)C(=O)[C@@]2(C)C[C@@H]2Br)C1=O	907959768	LCQLNJYECMULRD-KWBADKCTSA-N	315.211	1.405	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)C1	495352414	LZLGVXYSTTZPHK-MNOVXSKESA-N	313.398	1.485	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C2(C)CCC2)o1	820202489	INQAJVFZKAWSKS-UHFFFAOYSA-N	305.342	1.611	50	20	DDGD	
CC(=NNC(=O)Cn1nc(C)cc1C)c1ccc(C(=O)O)cc1	825798786	YDYCEFHAEPADLC-UHFFFAOYSA-N	314.345	1.739	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)/C=C/[C@@H]2CCOC2)c(OC)c1	493254411	CIJYDOQYXWGYSQ-ZXCPCRMDSA-N	320.345	1.058	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NNC(=O)c2ccc[nH]2)C1	496425435	PXMFZFPNUAPKQJ-AOOOYVTPSA-N	322.365	1.079	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C2CC2)nc1C	837778129	KAZFWNKKURAANB-SNVBAGLBSA-N	319.361	1.370	50	20	DDGD	
CCCc1sc(C(=O)NNC(=O)c2ncon2)cc1CC	832826223	TZYVLGLAELLPCG-UHFFFAOYSA-N	308.363	1.721	50	20	DDGD	
CC(C)(C)N1C[C@H](C(=O)NNc2ncc(F)cc2F)CC1=O	837206323	KXFBJAZZBQPKTG-MRVPVSSYSA-N	312.320	1.450	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](Cc2ccccc2)C1	732201580	GYWJHEOHSPZKKQ-HOCLYGCPSA-N	317.433	1.887	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)[C@H]1CCCCO1)c1ccccc1	836247987	JFALBSCWWSHYCT-KGLIPLIRSA-N	321.377	1.274	50	20	DDGD	
Cc1cnn(C)c1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	839462282	LLMASARJMVEPQA-JTQLQIEISA-N	320.324	1.096	50	20	DDGD	
CCn1nc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1C1CC1	831533965	CWQSMEJUYNBRSG-ONGXEEELSA-N	321.381	1.358	50	20	DDGD	
O=C(O)NN=C1CCC[C@H](N2C(=O)c3ccccc3C2=O)C1	832743927	FWZLYXAEECWCTE-JTQLQIEISA-N	301.302	1.849	50	20	DDGD	
Cc1cc(Cl)ncc1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	831566095	JEQUASUOCNINJM-RKDXNWHRSA-N	312.757	1.621	50	20	DDGD	
CC(C)n1cc([C@@H](C)NCc2ccc(B(O)O)cc2F)cn1	585024651	ZNXDMFVHQFGRHR-LLVKDONJSA-N	305.162	1.134	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H]2C[C@@H](OC(C)C)C2)n1	838747625	PAXVMCHTFMRFSN-PHIMTYICSA-N	309.370	1.376	50	20	DDGD	
C[C@H](Cc1c(F)cccc1F)NCc1ccc(B(O)O)cc1	585017082	KRDFNSOQWXVWKJ-LLVKDONJSA-N	305.133	1.365	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)C(=O)N1CCCC1)C1=CCCC1	838730632	JUSYCAOOWQDQMS-UHFFFAOYSA-N	322.409	1.076	50	20	DDGD	
CC(C)c1[nH]nc(C(=O)NNC(=O)C2CC2)c1Br	730104743	WLPNPRPNHGUIOV-UHFFFAOYSA-N	315.171	1.467	50	20	DDGD	
O=C(CSCC1CCNCC1)NNC(=O)c1ccccc1	830470126	ATAYYYARDHTYBC-UHFFFAOYSA-N	307.419	1.180	50	20	DDGD	
N#CC(C#N)=CNc1c(-c2nn[nH]n2)cnn1-c1ccccc1	737672791	QQJLJAZRZBZVRU-UHFFFAOYSA-N	303.289	1.395	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NN[C@@H](C(=O)O)c1cccnc1	833116789	GYSMEBFKIVGDCG-CQSZACIVSA-N	319.748	1.724	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)ccnc1Cl	831823363	XYDPDLBDZYMLSH-DTWKUNHWSA-N	312.757	1.621	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n(C(C)(C)C)n1	831330470	DLHWUQFEKCMOLB-WDEREUQCSA-N	323.397	1.524	50	20	DDGD	
CCOCCCN1CCC(=NNC(=O)c2ccccn2)[C@H](C)C1	735224455	RZXAQKLDSSMTGB-CQSZACIVSA-N	318.421	1.936	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2cccc(Cl)c2Cl)C1=O	838351091	UREUDRNFQZRSLI-SSDOTTSWSA-N	302.161	1.915	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)[C@@H]1CCCC[C@@H]1C	834960572	UXNCOLVRUOEQNU-JOYOIKCWSA-N	306.366	1.749	50	20	DDGD	
O=C(O)CCOc1ccc(C=NNC(=O)c2ccccn2)cc1	915932886	DQKZBKTUSLBFSS-UHFFFAOYSA-N	313.313	1.699	50	20	DDGD	
CCc1ccc(CC(=O)NNC(=O)Cc2ccccc2C)nc1	830331636	GMHMXUFXDBMDCZ-UHFFFAOYSA-N	311.385	1.885	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@H]1CCc2ccc(F)cc21	836286021	FCOQFIRAIDQHTI-KBPBESRZSA-N	321.352	1.713	50	20	DDGD	
COc1ccc(C(=O)CCCCC(=O)NN(C)C[C@H](C)O)cc1	910161554	VWVWNJYOHYTJLY-ZDUSSCGKSA-N	322.405	1.782	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@@H](C(=O)O)C1	833185593	XWMBTHKIYDVQMJ-VHSXEESVSA-N	307.306	1.929	50	20	DDGD	
Cc1nn2cccnc2c1C(=O)NNC(=O)c1ccccc1F	918543892	RTOYFDUREHTCGR-UHFFFAOYSA-N	313.292	1.252	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCCO1)c1cn(-c2ccccc2)nn1	834986754	XEYQRFULGBVFGF-HNNXBMFYSA-N	313.361	1.677	50	20	DDGD	
COc1cccc(C(=O)NNc2cc(Cl)nc(C)n2)c1O	748335796	RAXYHFMSSCKKKC-UHFFFAOYSA-N	308.725	1.910	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(OCC#N)cc1	748260525	VIZHMVXCJIKLGC-LBPRGKRZSA-N	305.334	1.091	50	20	DDGD	
O=C(NCC(F)(F)F)NN=Cc1c[nH]nc1-c1cccnc1	917551814	LWORAPMAWQXJOE-UHFFFAOYSA-N	312.255	1.667	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNC(=O)CC(F)(F)F)C12CCC2	745852250	ANQNZXNAZPYIDS-BDAKNGLRSA-N	323.315	1.617	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1C1CCC1)c1cccc([N+](=O)[O-])c1	844269071	AGODLUTVRCWGRJ-QWHCGFSZSA-N	303.318	1.792	50	20	DDGD	
CNCCNC(=O)NNC(=O)Nc1ccc(Cl)cc1Cl	841935254	SNNJSUPASZTPFR-UHFFFAOYSA-N	320.180	1.549	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@H]1SCCc2sccc21	742584264	XKOFESIVZKMKCD-NSHDSACASA-N	311.432	1.819	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1CCCS(=O)(=O)C1	846087043	QABIFIKLMIBWOI-CYBMUJFWSA-N	310.419	1.825	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NN=C2C[C@H](C)n3ncnc32)c1	841606600	ICUAHPDDKUFHBW-LBPRGKRZSA-N	313.361	1.759	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccc(=O)n(C)c2)o1	746526317	ZOPYOZZIIZVADI-UHFFFAOYSA-N	301.306	1.125	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)C[C@@H](C)CC(C)(C)C	740851040	MUUWMBQCBMCTBJ-LLVKDONJSA-N	313.442	1.901	50	20	DDGD	
CCn1c(NNC(=O)c2ccnc(C)n2)nc2ccccc2c1=O	917394015	XWKXRUBOZSOCFB-UHFFFAOYSA-N	324.344	1.272	50	20	DDGD	
CCOC(=O)[C@H](NNC(=O)[C@@H]1CCO[C@H]1C)c1ccccc1	843289229	OCLVKKIPTXHFKL-IACUBPJLSA-N	306.362	1.337	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCCc2ccc(OC)cc21	748252942	JIXAFOIYVKXRDZ-GFCCVEGCSA-N	320.389	1.903	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCCc1ccc(F)cc1	847094551	BYEAPAITVGQOGK-SMDDNHRTSA-N	308.353	1.721	50	20	DDGD	
CC(C)[C@H](N)CNC(=O)NNc1ccc2c(=O)[nH]ccc2c1	841944257	XWZRKCOSGTYOGQ-CYBMUJFWSA-N	303.366	1.138	50	20	DDGD	
Cc1ccc(CC(=O)NN(C)C[C@@H](C)O)cc1Br	910160857	OYSGVRBCQIRPAV-SNVBAGLBSA-N	315.211	1.644	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNC(=O)CCOc2ccccc2)c1	747180703	PLLVZXDKLJSTBE-UHFFFAOYSA-N	315.329	1.447	50	20	DDGD	
Cc1ccc(NNC(=O)CCN2CCN(C(C)C)CC2)cc1F	912711991	UQSPNENETZVBHN-UHFFFAOYSA-N	322.428	1.993	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)/C=C/Sc1cc(F)ccc1F	910150168	OQYNDTTWHJICNC-CYNONHLPSA-N	302.346	1.914	50	20	DDGD	
COc1cccc(C(C)=NNC(=O)[C@H](C)CN2CCOCC2)c1	916363631	WWVAOIUXGDGKDV-CYBMUJFWSA-N	319.405	1.504	50	20	DDGD	
Cc1ccc(NC(=O)NN(C)C(=O)N2CCNCC2)c(F)c1	841005889	FERCQDAVGCOONJ-UHFFFAOYSA-N	309.345	1.128	50	20	DDGD	
N#CC1(CNC(=O)NNC(=O)c2cccc(Cl)c2)CCC1	842196372	KBNFUFZZCFIPOV-UHFFFAOYSA-N	306.753	1.978	50	20	DDGD	
CC1(O)CCC(NC(=O)NNc2cccc([N+](=O)[O-])c2)CC1	749609879	KDINTLACQPADFT-UHFFFAOYSA-N	308.338	1.915	50	20	DDGD	
COc1ccc(OC)c(C(C)=NNC(=O)[C@H]2CCO[C@H]2C)c1	842555563	PGFVIFDSOLQKML-AAEUAGOBSA-N	306.362	1.969	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1nc(Cl)ccc1Cl	843640474	NUVVXLOKMAUXBR-BQBZGAKWSA-N	318.160	1.574	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H](C)Cc2ccccn2)n1	848659626	OARSRDDHIAPVKP-GFCCVEGCSA-N	313.361	1.360	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@]2(O)CCOC2)c(C(F)(F)F)c1	840444275	XCHLZEVMPGHLDJ-GFCCVEGCSA-N	315.251	1.172	50	20	DDGD	
CCOC(=O)c1ccc(C=NNC(=O)NCC(F)(F)F)o1	748249070	QIZKXJLGPPYMGF-UHFFFAOYSA-N	307.228	1.652	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)N[C@@H]1CCCN(C)C1=O	921313006	GLQBTGQQPLXEDP-LLVKDONJSA-N	310.785	1.895	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)N[C@@H]2COC(=O)C2)cc1	923724801	NINTUWSGHGFQNF-LBPRGKRZSA-N	319.361	1.244	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C(C)c1cncnc1C	848400017	ANJBIXKFMAIYHR-UHFFFAOYSA-N	313.361	1.746	50	20	DDGD	
CCCC[C@@H](CN)NC(=O)NNC(=O)Cc1ccc(F)cc1	841960100	ZIDVTJOJAPOYJF-ZDUSSCGKSA-N	310.373	1.216	50	20	DDGD	
CC[C@H]1CN([C@H](CC)C(=O)NNc2ccc(C#N)cn2)CCO1	924815758	RAFNKLLITSRDKF-UONOGXRCSA-N	317.393	1.286	50	20	DDGD	
COC[C@@H](OC)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	854196983	TWEQUZZCQJRJBS-DLUQRMLASA-N	324.421	1.402	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)/C=C/c1ccc[nH]1	855834072	XDKMTMCNUUNRGR-CMDGGOBGSA-N	320.393	1.118	50	20	DDGD	
C[C@]1(CNc2nnc(Cl)cc2C(N)=O)C[C@@H]1Br	856786971	SZHXFGCEQLHZMH-QUBYGPBYSA-N	319.590	1.814	50	20	DDGD	
CC(C)C(=O)NNC(=O)CCc1cccc(OC(C)(C)C)n1	758372037	OMDQQHQWSZAMKD-UHFFFAOYSA-N	307.394	1.995	50	20	DDGD	
CCC/C(C)=C/C(=O)OCC(=O)NNC(=O)c1cccs1	920693241	OMQAVGOEMDRAOE-CSKARUKUSA-N	310.375	1.799	50	20	DDGD	
C[C@H](CNC(=O)NNc1ccc(F)cc1Cl)S(C)(=O)=O	921641166	RHDWXPKHGWCESJ-SSDOTTSWSA-N	323.777	1.538	50	20	DDGD	
CCNc1ncc(C(=O)NNC(=O)NC2CCCCC2)s1	858130469	MYEWCDHPIPZQRB-UHFFFAOYSA-N	311.411	1.852	50	20	DDGD	
CC1(C)CN(C(=O)NC[C@]2(C)C[C@H]2Br)CC[C@H]1O	856959501	VPHCAFWWWPWIHI-BREBYQMCSA-N	319.243	1.962	50	20	DDGD	
CCOc1c(C=NNC(=O)c2cc[nH]n2)c(C)nn1CC(C)C	853392694	RHYIMBFCCACTNS-UHFFFAOYSA-N	318.381	1.733	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1c(F)ccc(O)c1F)C1CC1	855096727	DBDHQQJEAMDARI-ZCFIWIBFSA-N	315.345	1.578	50	20	DDGD	
C[C@H](C(=O)NC[C@@]1(C)C[C@H]1Br)n1cnc(C#N)n1	857388260	REOTWKWRXOXVGU-SOCHQFKDSA-N	312.171	1.000	50	20	DDGD	
C[C@H]1OCC[C@H]1SCC(=O)NNC(=O)c1cccc(C#N)c1	754720485	QXTUIHZWMZHFFC-ZWNOBZJWSA-N	319.386	1.230	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H]1CCCC(F)(F)C1	854284887	BNPVAGOHHHIBAA-SNVBAGLBSA-N	323.409	1.686	50	20	DDGD	
CC(C)C1(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)COC1	929302684	WYUIGRMMQLRFSW-NSHDSACASA-N	324.352	1.413	50	20	DDGD	
CCC/C=C\C(=O)NNC(=O)c1csc(N2CCOCC2)n1	920425287	WRMJWTNMSRIRRQ-PLNGDYQASA-N	324.406	1.097	50	20	DDGD	
CCn1nccc1C=NNC(=O)CNc1ccccc1OC	753691923	DNTUYLHKGXSQDX-UHFFFAOYSA-N	301.350	1.474	50	20	DDGD	
C[C@]1(CN2C(=O)[C@@H]3CSCCN3C2=O)C[C@H]1Br	857227218	IPYPBDMLKAJHQO-VAOFZXAKSA-N	319.224	1.540	50	20	DDGD	
CCOC(=O)CCCNC(=O)NNc1ncc(Cl)cn1	856838007	CWRSUIPKYHGFPI-UHFFFAOYSA-N	301.734	1.099	50	20	DDGD	
CCOc1nc(C(=O)NC[C@@]2(C)C[C@@H]2Br)co1	857396075	XZPJWQCHHKDGJE-GZMMTYOYSA-N	303.156	1.977	50	20	DDGD	
C[C@]1(CNS(=O)(=O)c2ccccn2)C[C@H]1Br	856752445	JIDBSEUCQVVIAI-PSASIEDQSA-N	305.197	1.533	50	20	DDGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCC(OCCO)CC1	757129448	HBTOGELSOXWVJX-XRVIQIRUSA-N	317.345	1.933	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@@H](C)NC(=O)NNC(=O)c1cccc(F)n1	852382054	JIFOYNMHQVYXIQ-RFAUZJTJSA-N	324.356	1.368	50	20	DDGD	
CCCc1c(C(=O)NN(C)C(=S)NC)[nH]c(C)c1C(C)=O	854925693	KEOCSEOTEQKBOI-UHFFFAOYSA-N	310.423	1.559	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)CNC(=O)c2cccs2)cc1	750945892	RKJALKPVKHGWQC-UHFFFAOYSA-N	312.354	1.500	50	20	DDGD	
COc1cc(CC(=O)NNc2ncncc2Cl)ccc1O	857491368	QZLUIXZFXQDOLY-UHFFFAOYSA-N	308.725	1.530	50	20	DDGD	
CC1(CCNC(=O)NC[C@@]2(C)C[C@H]2Br)OCCO1	856848845	LJSJRLAAFGAXNA-MWLCHTKSSA-N	321.215	1.612	50	20	DDGD	
CN(C(=O)COC(=O)/C(C#N)=C\c1ccc(O)cc1)C1CC1	754539097	GBTMRLCNXDFLKL-WQLSENKSSA-N	300.314	1.463	50	20	DDGD	
CN(C[C@@H]1CCC[C@@H]1O)C(=O)NC[C@@]1(C)C[C@@H]1Br	856952560	GGWRZSVAIOOIMB-MRBYEJRBSA-N	319.243	1.962	50	20	DDGD	
COc1cccc([C@@H](OC)C(=O)NNC(=O)[C@H]2CCCCO2)c1	854682831	HASQOCFHMJVDJM-ZIAGYGMSSA-N	322.361	1.099	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc(Cl)n1	934205619	PVNNLVIKXAKING-WCBMZHEXSA-N	312.757	1.621	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNC(=O)c1ccccc1F	758824901	MUHAINAKUVTXHH-UHFFFAOYSA-N	302.309	1.561	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H]1C[C@H]1c1ccco1	864591092	VFPPMVFTJCGTSV-GHMZBOCLSA-N	311.407	1.257	50	20	DDGD	
COc1cc(NC(=O)NC[C@@]2(C)C[C@H]2Br)[nH]n1	861380156	TYMFHTFFESCHTM-LHLIQPBNSA-N	303.160	1.713	50	20	DDGD	
CN(CCNS(=O)(=O)CC(C)(C)CCl)CC(F)F	867567853	AXAASVSPCQOORQ-UHFFFAOYSA-N	306.806	1.368	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@H](O)C1CCCCC1	863101074	HHPYSBMAJFJYBD-MRVPVSSYSA-N	304.259	1.746	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CO)c1ccc(Br)cc1	863903935	YHBKFXKEIDASFU-SNVBAGLBSA-N	315.167	1.082	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)C(=O)NNC(=S)Nc1ccccn1	768581593	SSJSWBHPRHOVLI-MRVPVSSYSA-N	319.390	1.808	50	20	DDGD	
Cc1ccc(CO[C@H](C)C(=O)NNC(=O)c2cc[nH]n2)cc1	862167806	CQVNXZJDLBPBCW-LLVKDONJSA-N	302.334	1.084	50	20	DDGD	
CC1CC(C#N)(C(=O)NNC(=O)CCc2ccccc2O)C1	767965519	XQLMZFCFEBTCIY-UHFFFAOYSA-N	301.346	1.412	50	20	DDGD	
COc1ccccc1C(=O)C(=O)NNc1cc(Cl)nc(N)n1	761167231	DYHDRSDEFKXUQZ-UHFFFAOYSA-N	321.724	1.047	50	20	DDGD	
CCOC(=O)c1nn(C)cc1C=NNC(=O)c1ccccc1F	769762969	CNTGAYQWYVEYPY-UHFFFAOYSA-N	318.308	1.500	50	20	DDGD	
CC(=O)N[C@@H](CC(=O)NN[C@@H](C)C(F)(F)F)c1cccs1	862306607	MUJGZYHAPQJGAA-CBAPKCEASA-N	323.340	1.887	50	20	DDGD	
CCc1cccnc1C(=O)NNC(=O)c1cccc(N(C)C)c1	766288356	GNKGJFUVOMNPQF-UHFFFAOYSA-N	312.373	1.785	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NN[C@@H](C)C(F)(F)F)C1	862312387	KYGKNGSETUKQGA-GARJFASQSA-N	323.359	1.843	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12	762950723	ILIYFNNZMSJYSJ-UHFFFAOYSA-N	304.306	1.883	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NNCC(F)(F)C(F)(F)F)C1	863099012	CVRYWBWCUFUUFN-SSDOTTSWSA-N	317.258	1.063	50	20	DDGD	
CNC(=O)NN=Cc1c(Br)cc(OC)cc1OC	760255308	ZPVUENAPHGSIDJ-UHFFFAOYSA-N	316.155	1.729	50	20	DDGD	
COC1(C=NNC(=O)[C@@H](C)Oc2ccccc2F)CCOCC1	761766606	LJWZGTFMSWLHJX-GFCCVEGCSA-N	324.352	1.891	50	20	DDGD	
COCCOCC(=O)NNC(=O)C[C@@H](C)c1ccc(F)cc1	869909130	JWNZYQBLHIBNFH-LLVKDONJSA-N	312.341	1.130	50	20	DDGD	
CN1CCN(C)[C@H](CNC(=O)[C@@H](Br)C(C)(C)C)C1	768084044	ILUHVXYDIOAMDA-GHMZBOCLSA-N	320.275	1.158	50	20	DDGD	
O=C(NN=C1CCCc2ccc(Cl)cc21)C(=O)NC1CC1	761256857	YCXYYUZLRNYGJG-UHFFFAOYSA-N	305.765	1.775	50	20	DDGD	
Cc1coc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)c1C	1117333090	VJRVYFXJKSLYPQ-VXGBXAGGSA-N	323.393	1.157	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc(Cl)c1N	771967605	JADCPALZIOGQOA-ZETCQYMHSA-N	313.741	1.025	50	20	DDGD	
COCc1cccc(NC(=O)NNc2nccc(OC)n2)c1	775479887	LIZUGJUOFWCCJC-UHFFFAOYSA-N	303.322	1.780	50	20	DDGD	
CC[C@H](C)[C@@H](C)C(=O)NNC(=O)Cn1cnc2ccccc21	779868212	WQHASSLHPUEVKY-NWDGAFQWSA-N	302.378	1.866	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)c2ccc(C)cc2O)o1	773972506	SDVSBGRCYNEKRG-UHFFFAOYSA-N	302.286	1.571	50	20	DDGD	
Cc1cc(NNC(=O)CSCc2csc(C)n2)ncn1	1116074333	FBRXOKVVIMMIOU-UHFFFAOYSA-N	309.420	1.926	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@]2(C)CCNC2=O)cc1C	873762545	ZSMPDWIIBHRTHV-HNNXBMFYSA-N	320.418	1.147	50	20	DDGD	
O=C(COC1CCCCC1)NNC(=S)Nc1ccccn1	874956575	IDWAWBBFUCHQLP-UHFFFAOYSA-N	308.407	1.749	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1c(F)cccc1Cl	879147083	VOZWEMYIMVUHLV-UHFFFAOYSA-N	319.720	1.295	50	20	DDGD	
CCOc1nc(C(=O)NNc2nccc(N(CC)CC)n2)co1	776173193	MRTVWJLFEHPNSZ-UHFFFAOYSA-N	320.353	1.466	50	20	DDGD	
O=C(NN=Cc1cnc(C2OCCO2)s1)C1CCOCC1	1119362296	ZUVOLTPJHDHHEV-UHFFFAOYSA-N	311.363	1.065	50	20	DDGD	
COc1cc(C=NNC(=O)c2sc(N)nc2C)cc(OC)c1	874110109	FPWWKTDDRNOWLP-UHFFFAOYSA-N	320.374	1.815	50	20	DDGD	
Cc1ccc(C(=O)NNc2nc(O)c3cnn(C)c3n2)s1	770979520	GXDBIMIGOJVSDX-UHFFFAOYSA-N	304.335	1.196	50	20	DDGD	
O=S(=O)(CCCCl)N[C@H](CO)C[C@@H](O)c1ccccc1	882014101	CXVHEDWZNIGBHM-QWHCGFSZSA-N	321.826	1.019	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H](CO)C[C@@H]1CCCO1	885526003	XPSMVOGKMHOLIC-MNOVXSKESA-N	313.847	1.101	50	20	DDGD	
COc1ccccc1/C(C)=C/C(=O)NNC(=O)C1CCOCC1	883062884	VIJBQASSCMRQOI-VAWYXSNFSA-N	318.373	1.673	50	20	DDGD	
O=C(NNC(=O)N1CC[C@@H](c2ccccc2)C1)c1cccnn1	883849607	FYWFBRFPJBRPQT-CYBMUJFWSA-N	311.345	1.321	50	20	DDGD	
CC1(C)CCC1=NNC(=O)c1csc(N2CCOCC2)n1	788973939	AVBFNZDDBSJTKO-UHFFFAOYSA-N	308.407	1.886	50	20	DDGD	
COc1cccc(NNC(=O)CCNC(=O)C2CCCCC2)n1	780770352	WXDQMXJAFHPOLY-UHFFFAOYSA-N	320.393	1.620	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1F)c1cccn2c(O)nnc12	780992525	ZLALVYRCZDNPRR-UHFFFAOYSA-N	323.234	1.609	50	20	DDGD	
CN(C)S(=O)(=O)c1cccc(C(=O)NN=C2CCC2(C)C)c1	788955071	RPOWKKNLPZWLNR-UHFFFAOYSA-N	323.418	1.843	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCCOc1ccc(F)cc1	887140647	NIEZMIRYFAHZET-UHFFFAOYSA-N	306.337	1.936	50	20	DDGD	
CCOc1ccc(CC(=O)NNC(=O)C2CCOCC2)cc1	883058882	DYGAHYYMNPWIAV-UHFFFAOYSA-N	306.362	1.202	50	20	DDGD	
O=C1C[C@@H](C(=O)NN=c2cc[nH]cc2Cl)c2ccccc21	789847955	QKRNKUDHNHXLCF-LLVKDONJSA-N	301.733	1.970	50	20	DDGD	
NCC12CCC(CC1)N2C(=O)NNC(=O)Cc1ccccc1F	892469538	IHZTYDUMIDDAFF-UHFFFAOYSA-N	320.368	1.065	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNc1ccc(-n2ccnc2)nn1	788179360	WQBURIFWWRJDKZ-UHFFFAOYSA-N	312.308	1.487	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)C(C)C)cc1C(=O)N(C)C	782582970	NXNVLOMCSCBCBY-UHFFFAOYSA-N	306.366	1.506	50	20	DDGD	
O=C(CCC(=O)NC1CCCC1)NNc1ncncc1Cl	781834023	UAVXPBSDNVKMNY-UHFFFAOYSA-N	311.773	1.412	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2ncccn2)ccc1Cl	789746432	YWHNRMPKEJSPSF-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
CN1CCC[C@@H]1c1cc(C(=O)NNC(=O)c2ccccc2)n[nH]1	895465151	MXNQCFQEKWFZIU-CQSZACIVSA-N	313.361	1.251	50	20	DDGD	
N#Cc1ccc(CNC(=O)NNc2ccc(Cl)nn2)nc1	780642997	JAUAKJLIEWYTHY-UHFFFAOYSA-N	303.713	1.223	50	20	DDGD	
CC(C)c1c(C(=O)NN=c2cc[nH]cc2)cnn1-c1ccccn1	780760117	ZKCXVNPMBNJCER-UHFFFAOYSA-N	322.372	1.965	50	20	DDGD	
CC[C@H]1CC[C@H](C)CC1=NNC(=O)Cc1cc(O)nc(O)n1	797401798	PGBUCOVYWMXISY-UWVGGRQHSA-N	306.366	1.749	50	20	DDGD	
Cc1ccc([C@@H]2CCN(CC(=O)NNC(=O)C3CC3)C2)c(C)c1	791602536	DCNYDTKDQPGUEI-OAHLLOKOSA-N	315.417	1.650	50	20	DDGD	
CCN(C(=O)[C@H](Br)C(C)(C)C)[C@H]1CCNC1=O	799770584	CHVWPNMWYXYXHA-IUCAKERBSA-N	305.216	1.533	50	20	DDGD	
C[C@@H]1CCC[C@@H]1CNC(=O)NNC(=O)c1cccc(C#N)c1	798512891	PPOGEDCYDWAKLZ-BXUZGUMPSA-N	300.362	1.938	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1c(CC)cc(C)cc1CC	796991256	JFNYVNMNKVUVFB-UHFFFAOYSA-N	305.378	1.616	50	20	DDGD	
C=C(CBr)COC(=O)[C@H]1CCC[C@@H](C(N)=O)C1	795622541	YFMUEYVOJWJJIH-ZJUUUORDSA-N	304.184	1.772	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccnc1)c1ccc2c(c1)OCO2	794198441	GBNMSNLZPILART-SNVBAGLBSA-N	313.313	1.375	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)c1cccnc1	792772220	GQCUAXQNGYJKPK-AZSZRZGFSA-N	309.369	1.237	50	20	DDGD	
Cn1ccc(NNC(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)n1	1327551484	PGSXOHCZOGQSNX-SNVBAGLBSA-N	321.381	1.120	50	20	DDGD	
O=C(NNC(=O)c1ccn(-c2ccncc2)n1)c1ccccc1	1321161355	GRABZGPNFDVYAA-UHFFFAOYSA-N	307.313	1.342	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1C1CC1)c1ccccc1Cl	1320929734	HOBMSKVKRNATTR-ZDUSSCGKSA-N	307.781	1.728	50	20	DDGD	
CC(=NNC(=O)c1ccc(N)cc1)C1CCS(=O)(=O)CC1	1320751328	CIGRZVIHJGQWQB-UHFFFAOYSA-N	309.391	1.199	50	20	DDGD	
Cn1ncc2cc(S(=O)(=O)NCC(Cl)Cl)cnc21	1329360729	LSUVSXGWHZZXMF-UHFFFAOYSA-N	309.178	1.050	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccc(F)cc2C1)NC1CCCC1	1320297834	UNOBYKZPWODZHP-NSHDSACASA-N	321.352	1.650	50	20	DDGD	
Cc1onc(-c2cccnc2)c1C(=O)NNC(=S)NC(C)C	1257399808	VUOUXMOFGKRAKL-UHFFFAOYSA-N	319.390	1.562	50	20	DDGD	
CN(Cc1nccn1C)S(=O)(=O)c1ccc(CCl)cc1	88950698	LHXBKRFCAVQMNQ-UHFFFAOYSA-N	313.810	1.980	50	20	DDGD	
COC(=O)C[C@H]1COCCN1C(=O)c1cccc(CCl)c1	1335920902	FUKWPUKJVRMEPS-ZDUSSCGKSA-N	311.765	1.830	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCN2CC[C@@H](C)C2)cc1	1336871597	DVUBPWDKDNKDHN-CYBMUJFWSA-N	318.421	1.535	50	20	DDGD	
CC(C)CN1CCC[C@H]1C(=O)NNC(=O)NC1CCCCC1	1346213689	NIZFOAORLLAZIS-AWEZNQCLSA-N	310.442	1.770	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C2CCOCC2)nn1C(C)C	1262019287	MKWIKWTZLFFIKC-UHFFFAOYSA-N	309.370	1.352	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(C)n(C2CC2)c1C	1261366331	QCSHQOXWQVGODV-UHFFFAOYSA-N	301.350	1.995	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cccc(Br)c1O	1261910779	JRANEOYTVHIILH-SSDOTTSWSA-N	303.156	1.112	50	20	DDGD	
C[C@]1(C(=O)N2CCCN3CCC[C@@H]3C2)C[C@H]1Br	1353989316	JOMFSSYZWVUQPB-WZRBSPASSA-N	301.228	1.857	50	20	DDGD	
O=C(/C=C\c1ccc(Cl)nc1)NNc1ccc(C(=O)O)cn1	1608284786	RKLAOEMSYDZEQW-KXFIGUGUSA-N	318.720	1.985	50	20	DDGD	
O=C(NCCc1cccs1)NN=Cc1ccc(C(=O)O)o1	1601513745	ZDZWNUGJVLGCTH-UHFFFAOYSA-N	307.331	1.915	50	20	DDGD	
CC1CC(CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)C1	1603851418	ZXKXMFXQTOTKDL-UHFFFAOYSA-N	301.354	1.539	50	20	DDGD	
NC[C@H](NC(=O)NNc1ccc(F)c(C(=O)O)c1)C(F)(F)F	1608251757	FBLWWSSZEOSKSY-QMMMGPOBSA-N	324.234	1.040	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CCc3cccc(O)c32)nc1	1608904063	FTNVMQSQTVWVBK-LLVKDONJSA-N	313.313	1.659	50	20	DDGD	
CN(NC(=O)[C@H](C(=O)O)C1CCCC1)C(=O)OC(C)(C)C	1604195605	RWWMBEKSCHTITP-SNVBAGLBSA-N	300.355	1.776	50	20	DDGD	
CN(C)c1ccncc1C(=O)NNc1cccc(C(=O)O)c1	1606066075	WVGSJBUXBPDYBB-UHFFFAOYSA-N	300.318	1.603	50	20	DDGD	
O=C(O)Cn1cccc1C=NNC(=O)[C@@H]1Cc2ccccc2O1	1602166555	XQALXWCCTKBEJG-AWEZNQCLSA-N	313.313	1.027	50	20	DDGD	
CCCN1C[C@H](C(=O)NNc2ccccc2C(=O)O)CC1=O	1609977956	IJBOMNIIMBFFMA-SNVBAGLBSA-N	305.334	1.086	50	20	DDGD	
Cc1c(CC(=O)NNc2ccc(C(=O)O)c(Cl)c2)cnn1C	1610411507	OJWJPHOERPGZHD-UHFFFAOYSA-N	322.752	1.766	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1cn(CC2CC2)nn1	1610699471	CCYJUUMDAWJYAR-UHFFFAOYSA-N	301.306	1.143	50	20	DDGD	
CO[C@H](C=NNC(=O)[C@H]1CCCO[C@H]1c1ccnn1C)C1CC1	1549314069	HHGNZQCAUQCFAL-NWANDNLSSA-N	320.393	1.415	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@@H]1C(=O)NN=C1CCC(O)CC1	1549308656	DBNSKNMKDOSBRQ-TTZKSVMKSA-N	320.393	1.295	50	20	DDGD	
O=C(NN=Cc1cccc2c1CCC2)[C@@H]1CN2CCC[C@H]2CO1	1549316187	RLIZQCAFQSUHOI-RDJZCZTQSA-N	313.401	1.489	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2NCC23CCOCC3)c(Cl)c1	1579723804	MLWGXQXZIFNJIK-CYBMUJFWSA-N	309.797	1.860	50	20	DDGD	
Cn1c(=NNC(=O)C2(CN)CCCC2)sc2ccccc21	1574208482	GBWMVUNHXZHQSO-UHFFFAOYSA-N	304.419	1.691	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cn1)c1ccncc1	1589792630	HFIKZMRSZPSRCB-JTQLQIEISA-N	324.348	1.294	50	20	DDGD	
CC(C)N(C)CC(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1846712058	YUSSHYXORGQHOX-GFCCVEGCSA-N	319.808	1.064	50	20	DDGD	
COc1c(C(=O)NNc2ccc(F)c(C(=O)O)c2)cnn1C	1599328080	HQWCJDZKZNAQEW-UHFFFAOYSA-N	308.269	1.023	50	20	DDGD	
COCCN(CC(C)C)NC(=O)c1ccc(-c2nn[nH]n2)s1	1591421820	WIZBTQAHCQRLOF-UHFFFAOYSA-N	324.410	1.177	50	20	DDGD	
N#C/C(=C\c1cnc2ccc(-c3nn[nH]n3)cn12)c1ccncn1	1592662565	SCTZCCLFLXDWSD-VZUCSPMQSA-N	315.300	1.369	50	20	DDGD	
CCOCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl	1796809951	LMUZAFBWFQCTLQ-NOHGZBONSA-N	320.792	1.586	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@H]1CCn2ccnc2C1	161095404	HOMFMTUNZQJRAN-AWEZNQCLSA-N	312.373	1.226	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ccc(-n2ccnc2)cc1	153114550	SNYLHHFWLYKPTM-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
CSc1cc(C(=O)NNc2ncnc3nc[nH]c23)ccc1F	153543881	WBPAURICZXFLJZ-UHFFFAOYSA-N	318.337	1.971	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1F	153614983	UVDHQMGBDDYFKB-UHFFFAOYSA-N	321.224	1.794	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1ccnc(-n2cccn2)c1	155088161	YPXTVMPBUMMJHY-UHFFFAOYSA-N	313.361	1.609	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cc(F)ccc2O)n1	155830329	WPWBUCNLWWDCQK-UHFFFAOYSA-N	319.340	1.924	50	20	DDGD	
CC(C)(C)OC(=O)NNS(=O)(=O)c1ccc(Cl)nc1	298646397	IBEFHEDRCZPHKP-UHFFFAOYSA-N	307.759	1.453	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	8391088	UNBICLCRNFTFPJ-VIFPVBQESA-N	323.418	1.159	50	20	DDGD	
COCc1nc(C(=O)NNC(=O)c2cccc(C#N)c2)cs1	103400577	JNSGJYOJMFPRDE-UHFFFAOYSA-N	316.342	1.236	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cccc(OC(F)F)c1	171207574	CXGDHLOFYIRPPB-WDEREUQCSA-N	314.288	1.474	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@H](C)CN2CCCCC2)n1	57044153	ISJZRBSWEMVCDI-LBPRGKRZSA-N	320.441	1.842	50	20	DDGD	
CNC(=O)NNC(=O)C1(c2ccccc2Cl)CCOCC1	107229369	VMFWWWVMWMQPFX-UHFFFAOYSA-N	311.769	1.348	50	20	DDGD	
COC(=O)CCOc1ccc(NC(=O)NNC(=O)OC)cc1	50109346	OZWWROGWWIWWSB-UHFFFAOYSA-N	311.294	1.021	50	20	DDGD	
COC(=O)NNC(=O)Nc1cccc(C#Cc2ccccn2)c1	111769932	CCQHRYIAWFWNCK-UHFFFAOYSA-N	310.313	1.874	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cnc(-c2ccco2)s1	171533569	OMEQKWCTSUSIAV-UHFFFAOYSA-N	324.362	1.384	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNc1ccc(C(C)(C)C)nn1	118527450	AHQDKAPLKORRCN-UHFFFAOYSA-N	307.398	1.380	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NNC(=O)c1cccc(OC(F)F)c1	171207588	CXGDHLOFYIRPPB-MNOVXSKESA-N	314.288	1.474	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)Oc1cccc(F)c1	110760495	YPEAECZGPFAYLA-VIFPVBQESA-N	306.297	1.086	50	20	DDGD	
O=C(CC1CCOCC1)NNC(=O)c1cc(Cl)ccc1O	117411820	MVZXSZBTOIWDOQ-UHFFFAOYSA-N	312.753	1.623	50	20	DDGD	
CC[C@H]1CN(CC(=O)NNC(=O)c2ccc(F)cc2)C[C@H](C)O1	111273657	UOQUQYSEWRIDTF-FZMZJTMJSA-N	323.368	1.086	50	20	DDGD	
COc1ncccc1C(=O)NNc1ccc(C(C)(C)C)nn1	118527935	ASDHAMOJJSBHFH-UHFFFAOYSA-N	301.350	1.935	50	20	DDGD	
CC(C)c1nccn1CC(=O)NNC(=O)c1ccc(F)cc1	123580623	GARVDHSGDXRQAZ-UHFFFAOYSA-N	304.325	1.607	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1ccnc(-n2cccn2)c1	124575463	VFNQLYLULXRYAF-UHFFFAOYSA-N	316.365	1.144	50	20	DDGD	
Cc1cccc(NC(=O)NNC(=O)c2cccc(N(C)C)c2)n1	125021892	JEJWDWTZUKRSSR-UHFFFAOYSA-N	313.361	1.923	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=O)CNc1ccccc1OC	186379946	XQYTZAKDECZRCN-UHFFFAOYSA-N	303.362	1.304	50	20	DDGD	
COc1ncc(C)cc1NC(=O)C(=O)NNc1ccc(F)cc1	181374894	DSOONVXQRTYNBG-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
CC[C@H]1CCC[C@H](NC(=O)NNC(=O)Cn2nc(C)cc2C)C1	77855792	GHYZFXXVIYUECW-KBPBESRZSA-N	321.425	1.799	50	20	DDGD	
Cc1ccc(C(=O)c2ccccc2C(=O)NN(C)C(N)=O)cc1	181062298	JZVSRGJKUMAKQW-UHFFFAOYSA-N	311.341	1.881	50	20	DDGD	
N#C/C(=C\c1cnn(CCCl)c1)S(=O)(=O)NC1CC1	188034947	RVXLMBVQZMRSCG-VZUCSPMQSA-N	300.771	1.068	50	20	DDGD	
C[C@H](Oc1cccc(F)c1)C(=O)NNC(=O)NCc1ccco1	122790053	JJHVAGGAUFGFFD-JTQLQIEISA-N	321.308	1.717	50	20	DDGD	
C=CC[C@@H](C(=O)NNC(=O)N1CCOCC1)c1ccccc1	188780261	LHWUHIMBXPGYRP-CQSZACIVSA-N	303.362	1.419	50	20	DDGD	
COc1ccc(C)nc1NC(=O)NNC(=O)c1cccn1C	127804892	ROSILHBAGYQNDC-UHFFFAOYSA-N	303.322	1.204	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNc1cc(C#N)cc(Cl)n1	180958353	MKMDDKVYVPUUOO-UHFFFAOYSA-N	304.741	1.659	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@H](O)c1ccc(Cl)cc1	79451856	TVNFEVVBBGWORS-NSHDSACASA-N	313.785	1.750	50	20	DDGD	
CC[C@H](OC1CCCCC1)C(=O)NNC(=O)Cc1ccncc1	121984550	UXMJVQLOCDUVPL-HNNXBMFYSA-N	319.405	1.899	50	20	DDGD	
CC(C)OCCC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	78465650	UNQMEDCXTOOFEN-LLVKDONJSA-N	312.341	1.556	50	20	DDGD	
Cc1cn(-c2ccccc2)nc1C(=O)NNC(=O)c1cccnc1	184724493	QPQBWKSHQWISDY-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
CSc1ccccc1NC(=O)C(=O)NNc1ccccn1	181405008	YKNDKCFJEFTGDM-UHFFFAOYSA-N	302.359	1.885	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H]1CCCN(Cc2ccccc2)C1	70450626	JGCAAIBEKJKNHC-OAHLLOKOSA-N	318.421	1.637	50	20	DDGD	
CCOC(=O)NNC(=O)c1cnn(-c2ccc(C)cc2)c1C	44009094	MKDVBNFSGSZDNQ-UHFFFAOYSA-N	302.334	1.880	50	20	DDGD	
CCCc1noc(CCCC(=O)NNc2nccnc2OC)n1	131732533	WVPDTNLBBRYUPZ-UHFFFAOYSA-N	320.353	1.287	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2cc(F)c(F)cc2F)cn1	190486378	JWSPTXWGXJCCJZ-UHFFFAOYSA-N	324.262	1.889	50	20	DDGD	
CCCC[C@@H](CCC)CNC(=O)NNC(=O)C(=O)NC1CC1	130786361	ANADINVZXXOURS-LLVKDONJSA-N	312.414	1.202	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)NC1CCCCC1)N1CCCC1=O	195454069	ZRFNLEOLGGCQHD-AWEZNQCLSA-N	324.425	1.297	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2F)cnn1C	81030573	QRNGGHRBZRJZFR-UHFFFAOYSA-N	310.716	1.596	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)c1	88422373	OQOCEEHLMXBVEE-FMKPAKJESA-N	320.437	1.967	50	20	DDGD	
C[C@H]1CCCC[C@@H]1OCC(=O)NNc1cc(Cl)nc(N)n1	133988873	JPMBMAWMOZEZQW-IUCAKERBSA-N	313.789	1.751	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1ccc(-n2cncn2)c(C)c1	191771197	VVXTWBGTZYVVSL-QPEQYQDCSA-N	302.359	1.875	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@H]2OC(=O)c3ccccc32)o1	84291693	KQDBQOSUVJCWHQ-CYBMUJFWSA-N	314.297	1.651	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(C2CCC2)cc1	190176744	WINIAZCPKDUKGE-UHFFFAOYSA-N	305.378	1.935	50	20	DDGD	
O=C(CCC(=O)c1cccs1)NNc1ncnc2[nH]cnc12	97595081	NMINWZFQDHSKGR-UHFFFAOYSA-N	316.346	1.521	50	20	DDGD	
CCCc1ncc(C(=O)NNC(=S)NCCSC)s1	94120645	UEPSUWGFUJZSDO-UHFFFAOYSA-N	318.493	1.568	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1Cc1ccc(F)cc1)NC1CC1	267050121	VRFWWZGULNORJA-CQSZACIVSA-N	320.368	1.283	50	20	DDGD	
CCOc1cccc(C(=O)NNC(=O)C(=O)NC(CC)CC)c1	265874985	KPMDKYJXEYHTAR-UHFFFAOYSA-N	321.377	1.151	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@H]2CCCS2)cc1	266597501	OYDMNXISVZAAJF-GFCCVEGCSA-N	309.391	1.150	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2	269486387	QWNGVQKDKVBLMA-CSKARUKUSA-N	301.302	1.424	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CCn1ccnc1)c1ccccc1	264563620	PAMDSNNILKVGTB-UHFFFAOYSA-N	300.362	1.398	50	20	DDGD	
C[C@H](CC1CCCC1)C(=O)NNc1nc(O)c2cnn(C)c2n1	269286798	CWTGIRYHNUQBBL-SECBINFHSA-N	318.381	1.728	50	20	DDGD	
CO[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)Cc1ccccc1F	266557248	MGPYVNNUFDQHEZ-KBPBESRZSA-N	323.368	1.656	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNc2nccc(N(CC)CC)n2)O1	268638790	QQHPLCMSPJJUDF-VXGBXAGGSA-N	307.398	1.724	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@H]1CCO[C@H](C)C1	272074941	LWKZLAYBUUNNHW-MNOVXSKESA-N	323.418	1.828	50	20	DDGD	
Cn1ccnc(NNC(=O)c2cccc3c2OCC3(C)C)c1=O	279418371	XWOYDDUOERKCKL-UHFFFAOYSA-N	314.345	1.207	50	20	DDGD	
O=C(CN1C[C@H]2CCC[C@@H](C2)C1)NNC(=O)c1ccc(F)cc1	367207836	ZPEVEHSGAODDCL-STQMWFEESA-N	319.380	1.709	50	20	DDGD	
Cc1cccnc1NNC(=O)NCc1ccc(C)n(C)c1=O	278786323	WNTPTPAPGRSOQQ-UHFFFAOYSA-N	301.350	1.223	50	20	DDGD	
CCN1CCN(C(=O)c2c(C)nn(CCCl)c2C)CC1=O	273318275	QKSVZEWIAZVULH-UHFFFAOYSA-N	312.801	1.043	50	20	DDGD	
COC(=O)NNC(=O)[C@@H](c1ccccc1)N1CCSCC1	274308261	SQGSZSHYHDKOAE-GFCCVEGCSA-N	309.391	1.164	50	20	DDGD	
Cc1ncc(C(=O)NNc2cc(Cl)nc(N)n2)c(C(C)C)n1	274990482	YUWYUSCMFUGUOA-UHFFFAOYSA-N	321.772	1.691	50	20	DDGD	
Cc1ccc(-c2cccnc2)cc1NC(=O)NNC(=O)CO	365439539	PSKLEEWAKNVHIM-UHFFFAOYSA-N	300.318	1.202	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](CO)CC1CCC1	279627935	KPUUARGXMGPOSO-ZDUSSCGKSA-N	305.378	1.490	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)C1SCCS1	270445463	BJIQJLSULGKJJM-UHFFFAOYSA-N	300.380	1.322	50	20	DDGD	
CS[C@@H](C)CC(=O)NNC(=O)COc1ccccc1F	270141225	REQDYYKEKJQPHF-VIFPVBQESA-N	300.355	1.494	50	20	DDGD	
COc1cccc(NNC(=O)NCCC(=O)N2CCCCC2)n1	272435033	PYOZHNNKFQJFMB-UHFFFAOYSA-N	321.381	1.119	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)c2ccccc2)CCO[C@@H]1C1CC1	375135476	KPZDDBHUFSZHRF-RHSMWYFYSA-N	317.389	1.836	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)[C@H]1CCN(CC(F)(F)F)C1	280526813	JIZQPZHPGIEJLL-ZETCQYMHSA-N	323.706	1.457	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(CC)cc1O	287746745	HZAHCQWQTYXCQI-UHFFFAOYSA-N	324.377	1.505	50	20	DDGD	
COc1ccc(-c2ocnc2C(=O)NNC(=O)C2CC2)cc1	289929336	NFBMTFPYRCFLSH-UHFFFAOYSA-N	301.302	1.521	50	20	DDGD	
Cc1ccc(C(=O)NCC(Cl)Cl)cc1S(C)(=O)=O	288789722	FEZMEEDSEPRAPN-UHFFFAOYSA-N	310.202	1.932	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@]1(O)CCc2ccccc2C1	376051116	TWEROYQLSTTWHV-INIZCTEOSA-N	301.321	1.584	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCCN2CCC[C@@H]2C1	373324036	ZPFVGCDRJQRGTM-RBFDBLARSA-N	311.385	1.996	50	20	DDGD	
Cn1ncc2c1C[C@@H](C(=O)NNc1ccc(Cl)nc1)CC2	282141089	ZNEPQJONYOFNIV-VIFPVBQESA-N	305.769	1.717	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(Cc2nc(C(C)C)no2)cc1	283231039	SWEJNOHNDWKYML-UHFFFAOYSA-N	317.349	1.956	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)Cc1c(C)nn(C)c1C	288714438	OFZSNTPFFQLBBD-UHFFFAOYSA-N	317.349	1.939	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H]1C(=O)Oc1ccc([N+](=O)[O-])cc1OC	286635360	ZPQYKMXXAWPEDX-UWVGGRQHSA-N	309.274	1.708	50	20	DDGD	
COc1c(C(=O)NNc2nccnc2C2CCC2)c(C)nn1C	287245970	QJRFXURJMTVZQH-UHFFFAOYSA-N	316.365	1.552	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Nc1ccccc1C)N1CCCC1=O	281076882	FPUAQFXOWZJTFC-CYBMUJFWSA-N	318.377	1.549	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1cc(Cl)sc1Cl	295969167	KJYMEMTYBGHTBR-UHFFFAOYSA-N	319.191	1.946	50	20	DDGD	
COc1ccc(Cl)cc1C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	293286384	YCTSMGDWTCJLBA-UFBFGSQYSA-N	312.753	1.677	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1cccc(C2CCC2)c1	291905866	XOXBLEYDIFMTQM-UHFFFAOYSA-N	318.377	1.585	50	20	DDGD	
CC(=O)C1(C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)CC1	292779665	YJKPVBKBIDVOES-LBPRGKRZSA-N	318.373	1.587	50	20	DDGD	
CCc1ccc([C@H](COC)NC(=O)NNc2ccncn2)o1	296562518	ROCKZUUEPGIELZ-NSHDSACASA-N	305.338	1.646	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1ccc2c(c1)CCCC2	297429179	OTISTBAGFANIDS-AWEZNQCLSA-N	303.362	1.897	50	20	DDGD	
CC(C)(CC(=O)NNc1nnc[nH]1)CC(=O)c1ccccc1	293922982	MSPAWJQCUICYHV-UHFFFAOYSA-N	301.350	1.937	50	20	DDGD	
O=C(CN1CCC[C@@H]1C1CCC1)NNC(=O)c1ccc(F)cc1	298063453	IZPPMNCPDNNWPE-OAHLLOKOSA-N	319.380	1.851	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)CSC(F)F	295408285	CYPPZDMMGQQWEB-UHFFFAOYSA-N	322.358	1.588	50	20	DDGD	
CCOc1cc(NC(=O)NNC(=O)[C@@H]2CCCO2)ccc1OC	292680925	PPFNVBJXBOCQLX-LBPRGKRZSA-N	323.349	1.426	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Nc1ccc(Cl)cc1)n1cncn1	802015975	FXHISWWMXNIFMJ-MRVPVSSYSA-N	308.729	1.345	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCC(C)(C)[N+](=O)[O-])c1	296840324	SOZCVOSAAHICIP-UHFFFAOYSA-N	309.322	1.752	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1csc(-c2ncccc2F)n1	294259293	UGAOIVXBZWCFNR-UHFFFAOYSA-N	320.349	1.905	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cnc(S)[nH]1)c1ccccc1	800690780	MOQPBGZZDXIORH-UHFFFAOYSA-N	304.375	1.437	50	20	DDGD	
O=C(Cc1ccco1)NNC(=O)Nc1ccc2c(c1)OCO2	802098752	ZEEVJCMROMECQS-UHFFFAOYSA-N	303.274	1.404	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)CCc2ccccc2O)no1	295248502	MLXGZMREYUCLNI-UHFFFAOYSA-N	317.345	1.897	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)[C@H]2CCCCC(=O)N2)c1	293907436	KSMAJPRRMGOFOL-CYBMUJFWSA-N	304.350	1.147	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1ccnn1CCN(C)C	297401911	NGFZDOJYJUGHBL-UHFFFAOYSA-N	303.370	1.297	50	20	DDGD	
CCOc1ccc2c(c1)C(=NNC(=O)NCC(=O)OC)CCO2	814901129	ZDZKITNSQPFLTN-UHFFFAOYSA-N	321.333	1.044	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	812539597	GVHCRAWBBSTBLP-NEPJUHHUSA-N	322.409	1.824	50	20	DDGD	
CSCc1cccnc1C(=O)NNC(=O)c1c[nH]nc1C	810364350	UMDRQHMONRTANG-UHFFFAOYSA-N	305.363	1.051	50	20	DDGD	
CC(C)N(C)C[C@H](C)NC(=O)NNC(=O)c1ccc(C#N)cc1	811870415	CWHNIJWQBLLYAI-LBPRGKRZSA-N	317.393	1.231	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2nc3ccccc3n2C)c1	816577381	JQUVUEGHTRCQTN-UHFFFAOYSA-N	323.356	1.690	50	20	DDGD	
CC(=NNC(=O)CCNC(=O)OC(C)(C)C)c1c[nH]nc1C	814899979	XXBIHPWYXIKFBM-UHFFFAOYSA-N	309.370	1.473	50	20	DDGD	
N#CCCCCNC(=O)NNC(=O)Cc1ccc(Cl)cc1	728958209	WVEKWBJCUIBXQK-UHFFFAOYSA-N	308.769	1.907	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(C(N)=O)cc1OC(C)C	817346763	BJNBZZIGGCBTRD-UHFFFAOYSA-N	308.338	1.135	50	20	DDGD	
CCn1ccnc1C(=O)NNc1ccc(S(C)(=O)=O)cc1	813494667	WQZLNOAIOJEBBJ-UHFFFAOYSA-N	308.363	1.063	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)NCC(F)(F)F)ccc1O	813557691	FUDUAOXTGGUHKY-UHFFFAOYSA-N	305.256	1.461	50	20	DDGD	
O=C(NN=C1CCN(CCc2ccccc2)CC1)c1ccnnc1	817342526	KOTPHGWXFGAMEY-UHFFFAOYSA-N	323.400	1.901	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H]2C[C@@H](C)OC2=O)cc1	491158877	GRJSNCDWHLXMED-PEZBLYKWSA-N	314.341	1.812	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC(NC(=O)NN=C2COC2)CC1	495786334	MDOKKKDDFGRVBN-UHFFFAOYSA-N	312.370	1.071	50	20	DDGD	
Cc1ccccc1CCN(C)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	827267936	KMUZSQAOLDMULO-DZGCQCFKSA-N	319.405	1.635	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1c(F)cccc1-n1cccn1	822253377	YNSRVTGXMLDTBU-UHFFFAOYSA-N	304.325	1.819	50	20	DDGD	
O=C(Cc1ccsc1)NN=Cc1ccccc1-c1nn[nH]n1	826423667	AIZUGEFTZVKJDO-UHFFFAOYSA-N	312.358	1.621	50	20	DDGD	
OB(O)c1ccc(CNCc2ccc(C3CC3)cc2F)c(F)c1	585042374	BLGODMJQKGGQQO-UHFFFAOYSA-N	317.144	1.812	50	20	DDGD	
CCN1CCN(c2ccc(NC(=O)NN(C)C3CC3)cc2)CC1	824012745	NOTXNHQUXFEROF-UHFFFAOYSA-N	317.437	1.959	50	20	DDGD	
O=C(O)c1cccc(C(=O)NNC(=O)c2c[nH]c3ccccc23)c1	821549820	TTZKFLVBYURZPK-UHFFFAOYSA-N	323.308	1.941	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCCS(=O)(=O)CC1	490838580	BIHKDEPXEYYAPN-RAXLEYEMSA-N	322.361	1.380	50	20	DDGD	
CC(C)NC(=O)Nc1cccc(C(=O)NN(C)[C@@H](C)CO)c1	823971647	XQLSVMKJZUXJNG-NSHDSACASA-N	308.382	1.174	50	20	DDGD	
Cn1cc(CCCNC(=O)[C@@]2(C)C[C@H]2Br)cn1	906516517	KJXZRBRYUWGERW-PWSUYJOCSA-N	300.200	1.642	50	20	DDGD	
OB(O)c1cccc(CN[C@H](CCc2ccccc2)C(F)F)c1	585049234	MAUSOHVKNVGFKO-MRXNPFEDSA-N	319.160	1.723	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(OCCOC)cc1Cl	495533407	LXWVZDCMOXNAQJ-UHFFFAOYSA-N	316.741	1.756	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CC[C@H](c3cccc(F)c3)C2)cc1	585039092	NKDCIRSAXQYIGH-MAUKXSAKSA-N	313.181	1.931	50	20	DDGD	
CN(NC(=O)CS(=O)(=O)C(C)(C)C)C(=O)OC(C)(C)C	496745713	OEDGFOHQCWFJMB-UHFFFAOYSA-N	308.400	1.098	50	20	DDGD	
C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(B(O)O)c(F)c1	584953162	YSFOVDIEKLLYPH-UEKVPHQBSA-N	305.158	1.299	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1noc(-c2cccs2)n1	491081588	HDIJLNABIUMNAU-CMDGGOBGSA-N	304.331	1.858	50	20	DDGD	
C#CCCCC(=O)NN=Cc1cc(OC)c(OC)c(OC)c1	901320912	KXLXCODYRJHSQN-UHFFFAOYSA-N	304.346	1.966	50	20	DDGD	
Cc1cn2ccc(C(=O)NNC(=O)NCC(F)(F)F)cc2n1	822671178	GYPOGEHAJMIOML-UHFFFAOYSA-N	315.255	1.149	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H](C)c2ncn(C)n2)cc(C#N)n1C	490905728	AJGJQXGQFWMKLL-QWGQVVDNSA-N	323.360	1.118	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1cccc(OCC(=O)O)c1	737538717	GQNJWXNPLBXRBB-UHFFFAOYSA-N	316.317	1.038	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NN(C)C(=O)OC(C)(C)C	838370222	JWJZGOLVHPLWLD-UHFFFAOYSA-N	302.371	1.864	50	20	DDGD	
CCOc1cc(NCc2ccccc2B(O)O)ccc1OC	585012303	TVANRGZIYUPBGZ-UHFFFAOYSA-N	301.151	1.386	50	20	DDGD	
C[C@H]1CC(=NNC(=O)CNC(=O)c2cccs2)C[C@@H](C)O1	834952670	KQTDUSHMUFOENP-AOOOYVTPSA-N	309.391	1.538	50	20	DDGD	
C[C@]1(C(=O)NCCNc2ccc(C#N)cn2)C[C@@H]1Br	906066072	IMBRESNURRMAJX-GWCFXTLKSA-N	323.194	1.655	50	20	DDGD	
CCn1cc(CC(=O)NNc2ccc(C(=O)OC)cc2F)cn1	837207563	POCJYYZFSCJKHH-UHFFFAOYSA-N	320.324	1.515	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ncc(C(C)(C)C)s1	496126756	UTJCHVXOVIPXLI-UHFFFAOYSA-N	314.367	1.156	50	20	DDGD	
CN(CC(=O)NNC(=O)C1CC1)Cc1c(F)cccc1Cl	733193399	NTVNKAIIALVBMV-UHFFFAOYSA-N	313.760	1.468	50	20	DDGD	
COC(=O)COc1ccc(C(=O)NCC(Cl)Cl)cc1	837649944	YVJGQRJULYFDJT-UHFFFAOYSA-N	306.145	1.772	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCOC[C@H]1c1ccco1	735078720	QWXPBTCWIPXIMK-OLZOCXBDSA-N	323.393	1.235	50	20	DDGD	
CC(C)OC(=O)[C@H](C)N(C)C(=O)[C@]1(C)C[C@@H]1Br	906991794	LWYFTTNPSDAXEX-HOTUBEGUSA-N	306.200	1.958	50	20	DDGD	
CCOc1ccc(SCC(=O)N2CC[C@@H](B(O)O)C2)cc1	585074721	NTTVOVUYSHANDI-LLVKDONJSA-N	309.196	1.253	50	20	DDGD	
COCCN(C)NC(=O)[C@@H](C(C)C)N1Cc2ccccc2C1=O	908114777	KIIQYIPPZAQAKT-OAHLLOKOSA-N	319.405	1.276	50	20	DDGD	
Cn1nc2c(c1C(=O)NNC(=O)c1ccc(Cl)cc1)CCC2	905053784	GKRPCFHRBWNHQS-UHFFFAOYSA-N	318.764	1.637	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2CCC[C@@H](C(=O)O)C2)cc1	737255302	AGPRWNSMKIKSMY-ZIAGYGMSSA-N	318.373	1.901	50	20	DDGD	
CC1=NO[C@@](C)(C(=O)NNC(=O)CCCc2ccccc2)C1	903103685	MNULIZNTBGDBBD-MRXNPFEDSA-N	303.362	1.712	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1ccnc(C(=O)O)c1	833102550	MDEMKYOLGDUAET-UHFFFAOYSA-N	313.313	1.174	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)Nc2ccc(N(C)C)cc2)n1	834961657	IZIQUJXUUHQDFY-UHFFFAOYSA-N	315.381	1.828	50	20	DDGD	
CC(C)(CC(=O)O)CC(=O)NNC(=O)CNc1ccccc1	833454853	VSHQMRBZAWGLFK-UHFFFAOYSA-N	307.350	1.137	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@@H]1CC12CCSCC2	830306327	CAZTUAPBIMLGAG-JTQLQIEISA-N	303.391	1.706	50	20	DDGD	
C[C@@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccc(B(O)O)cc2)C1	584996419	HHJRSVGJKVUBCA-PBHICJAKSA-N	323.201	1.632	50	20	DDGD	
C=C[C@@](C)(O)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	834584254	OJKILITWHVBCEP-YMTOWFKASA-N	312.753	1.192	50	20	DDGD	
C[C@@H](NCc1cccc(B(O)O)c1)[C@@H](c1ccccc1)N(C)C	585036322	HLWIYUHTWUNQNJ-KDOFPFPSSA-N	312.222	1.147	50	20	DDGD	
CN(C(=O)c1ccc(B(O)O)cc1)[C@H]1CCC[C@H]1c1ccccc1	584997489	CZSZHWINKJGJLH-ROUUACIJSA-N	323.201	1.775	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCC1(c2ccccc2)CCOCC1	916623443	RWOJBKPLJIFSFV-UHFFFAOYSA-N	319.405	1.721	50	20	DDGD	
C[C@@]1(CNc2nc(N)nc(Cl)c2N)C[C@H]1Br	912290303	VWZYCGVCHWRLMB-MOFOKWOHSA-N	306.595	1.880	50	20	DDGD	
C[C@@H](c1ccsc1)N1CCN(S(=O)(=O)CCl)CC1	831116059	UVXCCBCBNIVDDU-JTQLQIEISA-N	308.856	1.953	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)n1	914754876	HNTKQJVQHYHBLW-LLVKDONJSA-N	305.382	1.184	50	20	DDGD	
CC1(OCC(=O)NNC(=O)CCc2ccccc2O)CCC1	746293878	MJWXRAQSQSPQNO-UHFFFAOYSA-N	306.362	1.431	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCCC1=NNC(=O)Cc1cccnc1	741464369	OVCWTKKXSXXWAM-ZDUSSCGKSA-N	309.391	1.084	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2C[C@@]2(C)c2ccccc2)n1	745858757	SYUCATHWMANFIJ-LRDDRELGSA-N	313.361	1.842	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@](C)(O)CSc1cccc(F)c1	910154771	FGYYMITWHWWVBQ-IINYFYTJSA-N	316.398	1.013	50	20	DDGD	
Cc1nnc(-c2ccc(C(=O)NNC(=O)c3cccnc3)cc2)o1	746093997	WQRNJNGHSLBITE-UHFFFAOYSA-N	323.312	1.515	50	20	DDGD	
C[C@@H](COCC(=O)NNc1nccn(C)c1=O)c1ccccc1	846637071	VFXWGUJUKAOOPP-LBPRGKRZSA-N	316.361	1.044	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCOc1ccc(Cl)c(F)c1	910138260	FQDJYYDRJZKXQL-SECBINFHSA-N	304.749	1.592	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cc(Br)nn1C	842559316	IXXPVPSYADHEKR-CBAPKCEASA-N	315.171	1.058	50	20	DDGD	
CC[C@](O)(CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccccc1	843964269	CFOXGJOTUWEHPB-MRRJBJDNSA-N	320.389	1.247	50	20	DDGD	
COc1cc(OC)c(OC)cc1C=NNC(=O)[C@H]1CCO[C@@H]1C	842556170	QWXGVOZTMSUPSL-PWSUYJOCSA-N	322.361	1.588	50	20	DDGD	
CO[C@H](CNC(=O)NNc1ncncc1Cl)CC(C)C	841592925	SHDHRRMEKDFPAT-VIFPVBQESA-N	301.778	1.817	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)[C@H](C)Oc1ccc(F)cc1	749758634	OWFCDAZNDCITPC-ZJUUUORDSA-N	313.398	1.887	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNC(=O)Nc1ccccc1C	848032576	KEXYKHCRIUFRFQ-SNVBAGLBSA-N	307.350	1.737	50	20	DDGD	
O=C(NNC(=O)c1ncccn1)N[C@@H]1C[C@H]1C1CCCCC1	841582995	WPKPONZETOLVSR-NWDGAFQWSA-N	303.366	1.389	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C#N)cc1)c1cnc(C)nc1C	741456140	FXHNASXPNDARNY-UHFFFAOYSA-N	323.356	1.884	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CO[C@@H]2CCC[C@@H](C)C2)n1	746623123	DLGLIZYNNYDEJH-ZYHUDNBSSA-N	308.382	1.832	50	20	DDGD	
CC(C)(C)OC(=O)c1ccc(C(=O)NNC(=O)C2CCC2)nc1	843796036	LTSWIDVWQSSQIA-UHFFFAOYSA-N	319.361	1.598	50	20	DDGD	
C[C@H](Cc1cnc[nH]1)C(=O)NNC(=O)CCc1ccccc1	847417088	VPRHHOHVJYIFGZ-GFCCVEGCSA-N	300.362	1.369	50	20	DDGD	
Cc1ccsc1CCCC(=O)NNC(=O)N1CCOCC1	747827556	IHLQQBZLGNTAOK-UHFFFAOYSA-N	311.407	1.452	50	20	DDGD	
COC(=O)/C=C\c1ccc(/C=C(/C#N)C(=O)N2CCCC2)o1	848639179	PVRXYWXZKLBWQO-CEHXRRPISA-N	300.314	1.995	50	20	DDGD	
CN1C(=O)C(=NNC(=O)NCC(F)(F)F)c2ccccc21	917553874	WSNFUSJZMQBGPE-UHFFFAOYSA-N	300.240	1.229	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2cc(F)c(O)c(F)c2)ccn1	749859055	MUDBCLCMZRZQCV-UHFFFAOYSA-N	320.299	1.895	50	20	DDGD	
CC1(C)CC(=NNC(=O)c2ncccn2)c2cc(O)ccc2O1	841665847	QYBPVSAQCAETKL-UHFFFAOYSA-N	312.329	1.877	50	20	DDGD	
CC(C)OCCCC(=O)NNc1ncc(Br)cn1	848321961	LRHCAVZMFVPZCB-UHFFFAOYSA-N	317.187	1.887	50	20	DDGD	
CS(=O)(=O)c1ccc(NC(=O)NN=Cc2ccccn2)cc1	741768296	PZVSZRAWJYGIPB-UHFFFAOYSA-N	318.358	1.641	50	20	DDGD	
CCCn1cc(C(=O)NNc2ccc(CC(=O)OC)cc2)cn1	846377495	DFHNCISLNOTJKV-UHFFFAOYSA-N	316.361	1.766	50	20	DDGD	
C[C@H](OCc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843663616	YZBCSSVSYSXLBN-COPLHBTASA-N	324.352	1.303	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNC(=O)Nc1ccc(OC)cc1	840444533	GOUXPHCLOOZFNQ-LBPRGKRZSA-N	323.349	1.437	50	20	DDGD	
CCCc1cnc(NC(=O)NNC(=O)c2ccccn2)s1	757922607	BLRHASSYWAMDGV-UHFFFAOYSA-N	305.363	1.957	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@@H]2COc3ccccc3O2)CN1C1CC1	753954726	GTPAWVOJWVUFDL-BZNIZROVSA-N	315.373	1.555	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1ccnc(-n2cncn2)c1	754477786	IYZTWCJXDLENIK-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
O=C(CC1CC1)NN=C1CCN(c2ccc([N+](=O)[O-])nc2)CC1	853352105	GYSBICFANZCSPW-UHFFFAOYSA-N	317.349	1.862	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)c2c[nH]nc2C)c(C)c1	756107874	GLCYABQXLUSINB-UHFFFAOYSA-N	317.349	1.892	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cc2ccccn2c1	855091180	FJHURDGJZBIXMK-UHFFFAOYSA-N	302.403	1.848	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@H]1CCCCCC(=O)C1)C1CC1	855097094	JEDRYUXMQLHVBD-PWSUYJOCSA-N	311.451	1.820	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CCc2ccccc2O)n1	752798461	MPTJWLHPDSPROC-UHFFFAOYSA-N	315.329	1.190	50	20	DDGD	
O=C(NCCc1nc2c(s1)CCC2)NNC(=O)c1ccc[nH]1	926574725	XUAQEULWRBIUTC-UHFFFAOYSA-N	319.390	1.147	50	20	DDGD	
Cc1nc(C=NNC(=O)CCCNC(=O)OC(C)(C)C)[nH]c1C	853325700	LMHCMQFPHGARQW-UHFFFAOYSA-N	323.397	1.782	50	20	DDGD	
C[C@](O)(CC(=O)NNC(=O)c1cc2c(s1)CCC2)C1CC1	755404151	KUKRVXOGXVNHCN-HNNXBMFYSA-N	308.403	1.549	50	20	DDGD	
CNC(=O)CC1(CNC(=O)NNC(=O)C2CCC2)CCCCC1	852649731	AUWIPPNGNFIMDM-UHFFFAOYSA-N	324.425	1.204	50	20	DDGD	
COCC(COC)NC(=O)NC[C@]1(C)C[C@H]1Br	856861745	JGMOWPWAMOLDFJ-KOLCDFICSA-N	309.204	1.121	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)Cn2ccc3ccccc32)C[C@H]1C	752010938	WGTDXVCVTSLCPS-CHWSQXEVSA-N	314.389	1.970	50	20	DDGD	
CCOc1ccccc1C=NNC(=O)CNC(=O)c1ccco1	750938383	CCHHJSDYAZSAPR-UHFFFAOYSA-N	315.329	1.558	50	20	DDGD	
O=C(NCC(F)(F)F)NN=Cc1cc(O)ccc1[N+](=O)[O-]	751131886	ZFJCRPUUWGFKPK-UHFFFAOYSA-N	306.200	1.496	50	20	DDGD	
COC(=O)c1cc(NNC(=O)Cc2cn(C)nc2C)ccc1C	857264251	STTLITYOJVTHKF-UHFFFAOYSA-N	316.361	1.509	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)CCCc2cccnc2)n1	854232104	LMWRNDXFOHJHNX-UHFFFAOYSA-N	315.377	1.065	50	20	DDGD	
COC[C@@](C)(NC(=O)NNC(=O)OC(C)(C)C)C(F)(F)F	932333690	KRRIEBYLEGWTPK-SNVBAGLBSA-N	315.292	1.693	50	20	DDGD	
O=C(NNc1ncncc1F)N[C@H]1CCN(C2CCCCC2)C1	852586029	BHNGQIMZKRWMEL-NSHDSACASA-N	322.388	1.649	50	20	DDGD	
Cc1nn(C)cc1C=NNC(=O)c1ccc2c(c1)OCCO2	755628256	QUPWNCDFYOYBEY-UHFFFAOYSA-N	300.318	1.264	50	20	DDGD	
CCc1nocc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	854224173	LIVIMSRHUCOLCW-SECBINFHSA-N	321.308	1.605	50	20	DDGD	
CCCC1(C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)CC1	855831714	DBMZGTKHZFDGAU-UHFFFAOYSA-N	311.426	1.657	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1c(C)nn(CCOC)c1C	930675379	ODYRTYHIZYTXGN-UHFFFAOYSA-N	321.381	1.103	50	20	DDGD	
O=C(NCC1CC1)NN=CC1(CN2CCOCC2)CCCCC1	751133968	SHLKHMWMOSMZEV-UHFFFAOYSA-N	322.453	1.964	50	20	DDGD	
CC[C@H](CC1CCCCC1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1	862455838	RNJZELJZWXEIKY-OLZOCXBDSA-N	309.410	1.409	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1	761729796	DZCSMKPHKTUJSZ-QMMMGPOBSA-N	317.305	1.191	50	20	DDGD	
CO[C@](C)(C(=O)NNc1ncc(F)cn1)c1ccccc1F	760489213	ZZTBFJNCQRWONR-AWEZNQCLSA-N	308.288	1.760	50	20	DDGD	
CC(C)OC[C@@H](CO)N(C)S(=O)(=O)CCCCCl	762293284	ADSKSVZPKPZJBP-LLVKDONJSA-N	301.836	1.053	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H](CC)NC(C)=O)c1ccccc1	865695843	QOYJRVMPUGFHFP-UONOGXRCSA-N	305.378	1.242	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C[C@H](C)c2ccco2)c1O	863861477	YNWHPUYROPVIHO-JTQLQIEISA-N	318.329	1.949	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)C(=O)Nc1ccccc1F	763567719	ATQPKXDZEXUGKB-UHFFFAOYSA-N	319.267	1.365	50	20	DDGD	
CC[C@H](C#N)Oc1cccc(CNCc2cccc(B(O)O)c2)c1	863888462	PNWMJSMDNFRHQN-QGZVFWFLSA-N	324.189	1.337	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=Cc1ccc(OC(F)(F)F)cc1	863188533	XGOTXSPOSQLBPY-UHFFFAOYSA-N	324.280	1.080	50	20	DDGD	
CN(CCCOc1ccc(B(O)O)cc1)C(=O)OC(C)(C)C	863866517	VFMXQZMDCQLUOY-UHFFFAOYSA-N	309.171	1.002	50	20	DDGD	
COc1nccnc1NNC(=O)c1c(C)nn(C(C)(C)C)c1C	764461344	ZPXBBHXFUCBZGK-UHFFFAOYSA-N	318.381	1.810	50	20	DDGD	
C[C@@H](Sc1ccccn1)C(=O)NNC(=O)c1ccccc1O	762443605	NHDLINCAOCPSEI-SNVBAGLBSA-N	317.370	1.729	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]12	761787294	PXWBYVLZNRSWEJ-DJLDLDEBSA-N	309.288	1.227	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCCCC(=O)c1ccc(F)cc1	768245698	DNLRXKRUOCOCLS-UHFFFAOYSA-N	324.352	1.487	50	20	DDGD	
Cc1ncc(CNC(=O)NNc2ccc(C(C)(C)C)nn2)o1	1117814679	ZAPJVJZFBRALDY-UHFFFAOYSA-N	304.354	1.897	50	20	DDGD	
COCCOCC(=O)NN=CCCc1ccc2c(c1)CCO2	872401283	NPVKRZWCVKGMHP-UHFFFAOYSA-N	306.362	1.319	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1sc(NC2CC2)nc1C	771007326	BRAMBLVMNLWBJO-UHFFFAOYSA-N	320.378	1.132	50	20	DDGD	
CC[C@@H](C)[C@@H](NC(=O)NNC(=O)Cc1cc[nH]n1)C(F)(F)F	772537475	MEVGGZHWMMTPRS-GMSGAONNSA-N	321.303	1.260	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCc1ccc(F)cc1Cl	875283034	IFOOLHLIUJFRPE-UHFFFAOYSA-N	303.721	1.934	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)CCCCN(C)C)nc1C	778421809	GXUIAUQYUVXYNJ-UHFFFAOYSA-N	323.397	1.137	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCn1c(C)nc2ccccc21	773700930	FUSISWCXMZEZFX-UHFFFAOYSA-N	303.366	1.427	50	20	DDGD	
CN(CCc1ccccc1)CC(=O)NNC(=O)NC1CCCC1	874245207	UHCPRTRAKFAYLG-UHFFFAOYSA-N	318.421	1.434	50	20	DDGD	
NC(=O)c1c[nH]c(C(=O)NNc2ncc(Cl)cc2Cl)c1	775264434	BAWDRPDBVUSUPF-UHFFFAOYSA-N	314.132	1.572	50	20	DDGD	
COCCOCC(=O)NN=Cc1cnc(-c2ccco2)s1	872400613	NOKGCNGNXFBBQM-UHFFFAOYSA-N	309.347	1.516	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C1(C)CC(F)(F)C1	873441256	OFZXBDUAYNNRLY-SECBINFHSA-N	320.336	1.547	50	20	DDGD	
Cc1cn(CC(=O)NNC(=O)c2ccncc2)c2ccccc12	1116661585	GXJGJNBYKCAZGB-UHFFFAOYSA-N	308.341	1.806	50	20	DDGD	
CCCCOc1ccc(C=NNC(=O)NCC(=O)OC)cc1	779817448	RWGYPFCAXBOTKF-UHFFFAOYSA-N	307.350	1.672	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2cn(C3CC3)nn2)c1	873776084	DZXJPWPENYCNIF-UHFFFAOYSA-N	316.390	1.553	50	20	DDGD	
C[C@@H]1CC[C@@H](C(=O)NNC(=O)c2cc(Br)c[nH]2)C1	776338079	FJVYYPJYYLIKCB-HTQZYQBOSA-N	314.183	1.974	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(SC)ccc1C	771971074	XXULGKRJQGXGLG-SNVBAGLBSA-N	324.402	1.820	50	20	DDGD	
CS[C@H](C)CCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	773153552	HVMDMSAZVDAAGR-SECBINFHSA-N	311.363	1.888	50	20	DDGD	
CCC1(O)CCC(NC(=O)NNc2nccc(OC)n2)CC1	772591943	DTVLGIYRKCWPJA-UHFFFAOYSA-N	309.370	1.195	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)C1CCOCC1)c1cccnc1	883694981	SDNLUJDKJAVFMY-UHFFFAOYSA-N	320.393	1.116	50	20	DDGD	
CN(C)c1ccncc1C=NNC(=O)CCN1CCCCCC1	776186402	YLDPHVMQNCYFOV-UHFFFAOYSA-N	317.437	1.864	50	20	DDGD	
Cc1ccc([C@@H]2C[C@H]2NC(=O)NNC(=O)C2CCOCC2)cc1	883705333	HUDSBRNTRASHJR-LSDHHAIUSA-N	317.389	1.608	50	20	DDGD	
CCC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1cccnn1	883321778	KWXWFHVECFPQFA-VXGBXAGGSA-N	305.382	1.780	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1cccnn1	882056578	ABXSNRVIVLPRPK-NXEZZACHSA-N	302.359	1.411	50	20	DDGD	
CC1(C(=O)NNC(=O)c2nnc(O)c3ccccc23)CCCC1	786259334	FFGKWSBFFGDMPC-UHFFFAOYSA-N	314.345	1.677	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1c[nH]nc1-c1ccsc1	883069231	ZXXYPOJVHLAUOS-UHFFFAOYSA-N	320.374	1.326	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)N2[C@@H](C)CC[C@H]2C)cc1O	882048992	WBEGGBQKRULGCS-FRRDWIJNSA-N	319.405	1.723	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H]1CC[C@H]2SCCS[C@@H]12	882030447	TVWZJAMVXSUFGQ-BBBLOLIVSA-N	315.913	1.914	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NC[C@@H]1C=CCC1	883833296	YYSSHKLASNLBDI-VXGBXAGGSA-N	321.352	1.890	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(-c2nnc(C)o2)cc1	785859058	VFIITVKMJMFOCR-UHFFFAOYSA-N	318.337	1.743	50	20	DDGD	
COc1ccc2c(c1)CC[C@@H](C(=O)NNC(=O)CC1CC1)C2	880141226	OFRUWUHEUCGTRA-CQSZACIVSA-N	302.374	1.748	50	20	DDGD	
CCOc1ccccc1NC(=O)C(=O)NNc1cc(C)ncn1	783948314	LYJAGRWGMAZHTQ-UHFFFAOYSA-N	315.333	1.266	50	20	DDGD	
CCCC(CCC)C(=O)NNc1ccccc1S(N)(=O)=O	788227445	DOIFQXVCCVHJSI-UHFFFAOYSA-N	313.423	1.994	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2CCCCS2)c1	783030440	AEGMOEUXWCFSMU-CYBMUJFWSA-N	324.402	1.751	50	20	DDGD	
CC(C)Cn1ccc(C(=O)NNC(=O)c2ccc(Cl)nc2)n1	895753689	SUMJRGIQBRPFFA-UHFFFAOYSA-N	321.768	1.662	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)/C(C#N)=C/c1ccc(O)cc1	899996638	ZFEFSSHKVDNIDN-DHZHZOJOSA-N	318.402	1.593	50	20	DDGD	
CCOC1CC(CCNC(=O)NNc2ncncc2Cl)C1	789077257	HWSBDWBTTYCSHP-UHFFFAOYSA-N	313.789	1.961	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)[C@H]1CO[C@@H](C)C1	784154169	GTBAFMVEDIGYGA-WDEREUQCSA-N	324.402	1.360	50	20	DDGD	
COc1ccc(C=NNC(=O)c2nnc(O)c3ccccc23)cn1	780197682	QCOCOMAZCBJBQW-UHFFFAOYSA-N	323.312	1.503	50	20	DDGD	
CN1CCCC[C@H](CNC(=O)NNC(=O)CC(F)(F)F)C1	897545821	UJDRSULYSRFGNJ-SECBINFHSA-N	310.320	1.001	50	20	DDGD	
C[C@@H]1CC[C@H](CNC(=O)NNc2ccc(-n3cccn3)nn2)C1	793464439	AMUOTDMBXOVYIG-NEPJUHHUSA-N	315.381	1.725	50	20	DDGD	
CCS(=O)(=O)CC(=O)NNc1ccc(Cl)c(OC)c1	790170123	IJMQXRLUWLQWBO-UHFFFAOYSA-N	306.771	1.226	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)Cc1ccc2n[nH]cc2c1	793329697	WHZQZBLULWNIBN-UHFFFAOYSA-N	322.368	1.886	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccnc(-c2ncc[nH]2)c1	899997573	YROSLKYHERVREY-UHFFFAOYSA-N	318.406	1.379	50	20	DDGD	
Cc1cccc(C(=O)NNC(=S)NCc2cccs2)n1	795014046	VHEOUBJQCDUTCZ-UHFFFAOYSA-N	306.416	1.761	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1ccc2c(c1)ncn2C	792377972	FXODHCQBPUWEKM-UHFFFAOYSA-N	324.344	1.359	50	20	DDGD	
CC[C@@H](C)n1ncc(NC(=O)C(=O)NNC(=O)C(C)(C)C)c1C	792261684	RZTXRLLBBWMZGB-SECBINFHSA-N	323.397	1.295	50	20	DDGD	
COCc1cc(C=NNC(=O)COc2ccccc2F)no1	794863595	GVHPKNMBWQIBBU-UHFFFAOYSA-N	307.281	1.489	50	20	DDGD	
CC(C)O[C@@H](C=NNC(=O)CN1CCCC1=O)c1ccccc1	792941057	BXZSRFJGUABYBX-HNNXBMFYSA-N	317.389	1.877	50	20	DDGD	
CC(COC(C)C)=NNC(=O)Cn1nnc(-c2ccccc2)n1	799866587	MBNLTTFYJRGDAL-UHFFFAOYSA-N	316.365	1.257	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)c2cc3ccccc3o2)cnn1C	794377158	UBAYJWDMLIGZGH-UHFFFAOYSA-N	312.329	1.478	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COc2cccc(C=O)c2)n1	794082087	XJNBNQWILGHRNV-UHFFFAOYSA-N	313.313	1.043	50	20	DDGD	
O=C(NNC(=O)N1CC[C@@H]2OCCC[C@@H]2C1)c1cccc(F)n1	1329926522	VCAHUMFOUOXGEL-PWSUYJOCSA-N	322.340	1.076	50	20	DDGD	
C=C[C@@H](COC)NC(=O)NNC(=O)c1ccc2ccccc2c1	1321378054	ZVFOLCJYTWYFPT-HNNXBMFYSA-N	313.357	1.985	50	20	DDGD	
CCN(Cc1ccccc1F)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	1326299870	UFFAPUNMEGTSSN-AAEUAGOBSA-N	323.368	1.813	50	20	DDGD	
COCc1nocc1C(=O)NNc1ccc(C(F)(F)F)cn1	1324100898	NYHIRYFIDFBKIP-UHFFFAOYSA-N	316.239	1.992	50	20	DDGD	
O=C(COCc1ccncc1)NNc1ccccc1[N+](=O)[O-]	1324042317	MCOIFDFKYMOEMJ-UHFFFAOYSA-N	302.290	1.650	50	20	DDGD	
C[C@H]1COCCN1CCNC(=O)NNc1cc(F)ccc1F	1334295364	AGZISFCMWWLTPZ-JTQLQIEISA-N	314.336	1.312	50	20	DDGD	
Nc1cnnc(NNC(=O)NC[C@@H]2CCCC2(F)F)c1Cl	1330774116	IRMYBLPCDPDQSW-LURJTMIESA-N	320.731	1.774	50	20	DDGD	
COc1cc(C=NNC(=O)C2CCOCC2)cc(Cl)c1O	1336994500	BCULKAJSAPRCLM-UHFFFAOYSA-N	312.753	1.931	50	20	DDGD	
COC(=O)N(C)NC(=O)CC[C@@H]1[C@@H](C)Nc2ccnn2[C@@H]1C	1348622124	FXPQHOKJTMYJQI-GMTAPVOTSA-N	309.370	1.384	50	20	DDGD	
CCNc1ncc(C(=O)NN(C)C(=S)NC)cc1Cl	1348726605	IHPBKSCAUMLKQO-UHFFFAOYSA-N	301.803	1.248	50	20	DDGD	
CC[C@H](Cc1ccccc1)NC(=O)NNC(=O)C1CCNCC1	1348550715	IOCYZAKKEPEAOZ-OAHLLOKOSA-N	318.421	1.338	50	20	DDGD	
CC(C)CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)C(C)(C)C	1345622478	CWNWYCNVSXJDAN-LBPRGKRZSA-N	311.426	1.607	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cnc3n2CCOC3)cc1	1262167761	ZNTNHVIFBUIUOU-UHFFFAOYSA-N	300.318	1.186	50	20	DDGD	
COC(=O)c1ccc2c(O)nc(CN3CC=C(C#N)CC3)nc2c1	1459890410	IQWKHVYFLGEGMG-UHFFFAOYSA-N	324.340	1.778	50	20	DDGD	
Cc1c(NNC(=O)NCCC[C@@H](C)CO)cccc1C(=O)O	1607552680	SECDCOVKSMJUKD-SNVBAGLBSA-N	309.366	1.728	50	20	DDGD	
Cc1c(NNC(=O)CNC(=O)CCC(C)C)cccc1C(=O)O	1607552210	FQFRYTAQPXTVRV-UHFFFAOYSA-N	321.377	1.689	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@@H](CC(=O)O)Cc1ccccc1	1605503591	DDIYFQFQFHMXGQ-YBEMTRGBSA-N	302.330	1.633	50	20	DDGD	
COCc1ncsc1C(=O)NNc1cccc(C(=O)O)c1	1606980830	SYXAOEKIFXANSQ-UHFFFAOYSA-N	307.331	1.745	50	20	DDGD	
O=C(O)c1cc(NNC(=O)c2cncnc2C2CC2)ccc1F	1602287582	NFZIFSSEBPVHAL-UHFFFAOYSA-N	316.292	1.948	50	20	DDGD	
O=C(NN=Cc1cccc(O)c1Cl)[C@H]1CN2CCC[C@H]2CO1	1549317573	XXFONOJGPQTZSH-WCQYABFASA-N	323.780	1.359	50	20	DDGD	
O=C(NCC[C@H]1CCNC1)NNc1ccc(F)c(C(=O)O)c1	1610690879	UEMDJKIASZXUFK-SECBINFHSA-N	310.329	1.150	50	20	DDGD	
Cc1ccc(C=NNC(=O)NCC(=O)O)cc1Br	1610497764	VBFMZDLMTBMOLY-UHFFFAOYSA-N	314.139	1.475	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)cc1	1549317899	XQOLFNUXMHSZQU-UKRRQHHQSA-N	303.362	1.009	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](N)CCCCC#N)c1	1578877755	KBPFLYHMBLGPOH-ZDUSSCGKSA-N	304.350	1.328	50	20	DDGD	
CO[C@H]1CN[C@](C)(C(=O)NNc2ccc(Cl)cc2F)C1	1578949182	SHMNYHFWKUAZLH-RNCFNFMXSA-N	301.749	1.689	50	20	DDGD	
C[C@@H]1Cc2cccc(C(=O)NNc3ncccc3C(=O)O)c2O1	1589413361	YDDIABJIRCZSRR-SECBINFHSA-N	313.313	1.860	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cccnn1)C2	1845166056	YKLFDOBZUALRAR-NSHDSACASA-N	322.796	1.311	50	20	DDGD	
NC1(CC(=O)NNc2ccc(OC(F)(F)F)cc2)COC1	1580144199	NRVQENJTGDXMCG-UHFFFAOYSA-N	305.256	1.146	50	20	DDGD	
CC(C)c1nn(C)cc1NC(=O)NNc1ncccc1C(=O)O	1588976660	NEUBGTLLZBJUAB-UHFFFAOYSA-N	318.337	1.785	50	20	DDGD	
CC(C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)Br)C1	1846175903	BAJWLXHDMWXWTM-JTQLQIEISA-N	317.227	1.629	50	20	DDGD	
CCc1nc(C)ncc1C(=O)NNc1cccc(C(=O)O)c1	1597663446	NIASSQLBPJUIJZ-UHFFFAOYSA-N	300.318	1.803	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNC(=O)c2ncccc2C)c1	1594288551	WPGVCVHPVMMZQM-UHFFFAOYSA-N	313.313	1.471	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(-c3nn[nH]n3)[nH]c2C)cc1	1591617495	OGWZWDQSUHMXKJ-UHFFFAOYSA-N	313.321	1.269	50	20	DDGD	
Cn1cc(CCC=NNC(=O)Nc2ccc(C(=O)O)cc2)cn1	1776045548	SEZFEGLSSAOMFG-UHFFFAOYSA-N	315.333	1.858	50	20	DDGD	
C[C@@H]1C(=NNC(=O)c2cnsn2)CC[C@H](C(=O)O)C1(C)C	1776105069	NIPQGMFSRHRGEE-HTQZYQBOSA-N	310.379	1.781	50	20	DDGD	
CC(C)[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Cl)C2	1793229398	UCPZWGBLRJFZFX-ROHXPCBUSA-N	320.792	1.176	50	20	DDGD	
C[C@H](Sc1ccccn1)C(=O)NNc1ncnc2nc[nH]c12	160997646	NZOYXAKVMHWNFO-QMMMGPOBSA-N	315.362	1.372	50	20	DDGD	
CCCC(=O)N1CCC[C@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1	151214522	CDWBCADBQMWDKN-ZDUSSCGKSA-N	320.349	1.829	50	20	DDGD	
COC(=O)NCCC(=O)NNc1cccc(Br)c1	151996791	DYOUGZBYJPVREV-UHFFFAOYSA-N	316.155	1.638	50	20	DDGD	
O=C(CSc1cnn[nH]1)NNC(=O)c1ccccc1Cl	156006505	FVRXXAGBGJKJMB-UHFFFAOYSA-N	311.754	1.011	50	20	DDGD	
Cc1cccc(C)c1NC(=O)C(=O)NNC(=O)c1cccn1C	157309453	RZZAIUZUEIVLNQ-UHFFFAOYSA-N	314.345	1.042	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(CCN(C)C)Cc1ccc(C)o1	159224553	AZRVWSMKPVOTFG-OWBHPGMISA-N	305.378	1.922	50	20	DDGD	
CSSCCNC(=N)NCCNC(=O)OC(C)(C)C	496637484	VKQSYCSUFUYMNH-UHFFFAOYSA-N	308.473	1.636	50	20	DDGD	
CC(C)(CNS(=O)(=O)CCl)NC(=O)OC(C)(C)C	830760359	XKJFNBMQZBZKTP-UHFFFAOYSA-N	300.808	1.405	50	20	DDGD	
CNC(=O)NNC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	56371387	NJXRSFFOUCCOOH-VGOFMYFVSA-N	317.393	1.628	50	20	DDGD	
CC(=O)NNC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1	51340768	NKXCSRMDSMJDSB-UHFFFAOYSA-N	310.375	1.184	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2ccc3ccccc3c2)[nH]n1	56829620	FDYJDSCBYAVFPE-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
O=C(/C=C/c1cncc(F)c1)NNC(=O)c1ccc(Cl)nc1	104273789	PHTNRMJRCXYFMB-DAFODLJHSA-N	320.711	1.744	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)C(C)(C)C)c1ccc(F)cc1	173678775	PGSZYTPGZIHJGJ-LBPRGKRZSA-N	311.357	1.890	50	20	DDGD	
COCCCNC(=O)NNC(=S)Nc1cccc(C)c1C	64937367	SEFWSUZCFFKOGX-UHFFFAOYSA-N	310.423	1.841	50	20	DDGD	
COc1ccc([C@@H](C)N(C)CC(=O)NNC(=O)C2CC2)cc1	112976449	LNVSKNAXOFXQJO-LLVKDONJSA-N	305.378	1.245	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNc2ccc(Cl)nn2)cc1	118504797	PSNJDGORAQYRGW-UHFFFAOYSA-N	305.725	1.845	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@H]1C[C@@]12CCc1ccccc12	175030809	XGGADHVZEQXFNE-RDTXWAMCSA-N	309.369	1.690	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1nc2c(s1)CCCC2	170701765	BPBPUYWTFAGAFH-UHFFFAOYSA-N	319.390	1.827	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)CCC1CCOCC1	172958071	CTXRSESQXOKHLU-UHFFFAOYSA-N	304.390	1.973	50	20	DDGD	
CCO[C@H]1C[C@H](NC(=O)NNc2ccc(C)nn2)C12CCC2	175662281	ACVANJLUHNRQMQ-RYUDHWBXSA-N	305.382	1.759	50	20	DDGD	
CCOc1ccccc1C(F)(F)C(=O)NNC(=O)NC(C)C	125702052	QCYUCAXHKZQRPQ-UHFFFAOYSA-N	315.320	1.916	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)NCCc2cccs2)[nH]n1	68456683	UHEJBPOYQSUHPB-UHFFFAOYSA-N	321.406	1.610	50	20	DDGD	
COc1cc(C(=O)NNc2ncc(F)cn2)ccc1[N+](=O)[O-]	122979061	UZEDSWRVNFZXRF-UHFFFAOYSA-N	307.241	1.289	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)cn2)c(O)c1	126495043	VGHHOUPIJJJFNQ-UHFFFAOYSA-N	305.721	1.824	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCO2)c1cccc(F)c1	36892678	MSGGFEWLRHYSAG-UHFFFAOYSA-N	302.261	1.629	50	20	DDGD	
CC(C)OCCNC(=O)NNC(=O)c1ccc(Cl)cc1F	184129028	WZOZXGFTTRPQOW-UHFFFAOYSA-N	317.748	1.848	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H]1CCCCN1C(=O)c1cccs1	122912786	MKJPVRPWNBSGIN-JTQLQIEISA-N	324.406	1.093	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1	187325925	NHFZOMZAGITTKO-JTQLQIEISA-N	320.267	1.386	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H](C)C(C)(C)CN(C)C)n1	181445635	JVJMECRZTUHKLU-NSHDSACASA-N	309.414	1.693	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H]1CCCc2sccc21	123268068	NHTKGZQACMZOTI-LLVKDONJSA-N	311.407	1.535	50	20	DDGD	
CC(=O)N(C)CC(=O)NNc1ccc(OCC(F)(F)F)cc1	124590952	RYJAVPZLEANUIA-UHFFFAOYSA-N	319.283	1.549	50	20	DDGD	
O=C(CCc1nnc[nH]1)NNc1ccc([N+](=O)[O-])cc1Cl	125833366	QNTFBSQNXPEZJG-UHFFFAOYSA-N	310.701	1.442	50	20	DDGD	
CCCc1ccc(S(=O)(=O)NNC(=O)c2cnccn2)cc1	73436992	PBWQRUVTQZLUIS-UHFFFAOYSA-N	320.374	1.052	50	20	DDGD	
Cn1ccc(NC(=O)NNC(=O)c2ccc3ccccc3n2)n1	184698088	RKQRTSMBPOVGBU-UHFFFAOYSA-N	310.317	1.435	50	20	DDGD	
Cc1cc(NNC(=O)CCNC(=O)c2ccsc2)nc(C)n1	128671284	POZLLGDLKZZXFB-UHFFFAOYSA-N	319.390	1.418	50	20	DDGD	
Cc1nn(C)c2sc(C(=O)NNC(=O)c3cccn3C)cc12	73278814	HSJQPPOFEWGXEE-UHFFFAOYSA-N	317.374	1.357	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)Cc2ccccc2F)on1	70859905	LKEVWUFFEVETGN-UHFFFAOYSA-N	305.309	1.941	50	20	DDGD	
CC(C)CC(=O)NCCC(=O)NNc1cc(C#N)cc(Cl)n1	126005172	VUGCIRUGABWLKJ-UHFFFAOYSA-N	323.784	1.602	50	20	DDGD	
COC(=O)[C@H]1CCC[C@H](C(=O)NNc2nnc(C3CC3)s2)C1	184477075	WPSLFYAZUDCCKO-UWVGGRQHSA-N	324.406	1.838	50	20	DDGD	
CC(C)(C)OCC(=O)NNC(=O)Cn1ccc2ccccc21	182773841	OGAMUTIWFJSRDQ-UHFFFAOYSA-N	303.362	1.604	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C2C(C)(C)C2(C)C)cc1	74823808	UNLFTULPVFAOLG-UHFFFAOYSA-N	319.405	1.937	50	20	DDGD	
CC(=O)N(C)CC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	78417054	WSGXZNDQKBFKTA-UHFFFAOYSA-N	321.421	1.219	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(C)c(C(=O)N(C)C)c1	186435949	IFZCHLRNUUPGJO-SNVBAGLBSA-N	320.393	1.896	50	20	DDGD	
COc1ccc(-c2n[nH]cc2C(=O)NNC(=O)C2CC2)cc1	78428685	BEYNBFWNIMWJKK-UHFFFAOYSA-N	300.318	1.256	50	20	DDGD	
Cn1cc(N2CCN(/C(=C/C#N)c3ccccc3)CC2=O)cn1	79328698	PJKJJQLEXQHTBB-FRKPEAEDSA-N	307.357	1.633	50	20	DDGD	
Cc1ccn2ncc(C(=O)NNc3nnc(C4CC4)s3)c2n1	184478864	QFYAHRJUSBFDGE-UHFFFAOYSA-N	315.362	1.524	50	20	DDGD	
COC1(C(=O)NNC(=O)CNc2ccccc2)CCCCC1	188271995	FZCUHVZNKRVRGA-UHFFFAOYSA-N	305.378	1.595	50	20	DDGD	
CC[C@H]1C[C@H](C(=O)NNC(=O)COc2cccc(C)c2)CCO1	183517181	CZNSKRLBAKTYIH-KGLIPLIRSA-N	320.389	1.726	50	20	DDGD	
C[C@]1(NNC(=O)N[C@@H]2CCc3ccccc32)CCS(=O)(=O)C1	45305596	NMKAIDWCVLYELX-HIFRSBDPSA-N	323.418	1.055	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ccccc2[N+](=O)[O-])s1	195490426	CIAGWDQXCXIOCF-UHFFFAOYSA-N	306.303	1.512	50	20	DDGD	
CCC[C@H](C)N1C[C@@H](C(=O)NNc2nc(C)cc(C)n2)CC1=O	193632429	VXBOXPQWYJVMRZ-STQMWFEESA-N	319.409	1.574	50	20	DDGD	
O=C(/C=C/c1ccc(Cl)cc1)NNC(=O)N1CCOCC1	194904403	XBBHSSVFMFKBIP-ZZXKWVIFSA-N	309.753	1.426	50	20	DDGD	
Cc1csc(CNC(=O)NNC(=O)c2ccccc2O)n1	45357535	FMNFASYFFPWQGY-UHFFFAOYSA-N	306.347	1.301	50	20	DDGD	
CN(C)C(=O)NNC(=O)C1(C)CCN(Cc2ccccc2)CC1	130963514	HLJFBEFBZPRYHE-UHFFFAOYSA-N	318.421	1.591	50	20	DDGD	
CSCC[C@H](NC(N)=O)C(=O)NNc1cccc(Cl)c1	46081190	ZTTWLGSFAGOGJX-JTQLQIEISA-N	316.814	1.573	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cn1	198868470	AWYYKAOEYAULDF-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)NCc1ccc(Cl)cc1	191608622	FCYBOXFNWILGHS-NWDGAFQWSA-N	311.769	1.595	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1cnccn1)N1C[C@@H](C)O[C@H](C)C1	246711010	LISUDUHFBFZLMI-YRGRVCCFSA-N	307.398	1.054	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2cn[nH]c2C1)NC1CCCCC1	266256298	URPQPLIWXXXDMY-JTQLQIEISA-N	305.382	1.178	50	20	DDGD	
O=C(CCSc1ccc2c(c1)OCCO2)NNC(=O)C1CC1	265616874	IYFHNORSOLRLNN-UHFFFAOYSA-N	322.386	1.497	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CCOC(C)C)c(C)c1	264052614	YSSMLQCMIMSUPH-UHFFFAOYSA-N	307.394	1.678	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)CC(C)C)c(F)cc1F	267812993	ODRNHKULBWYXDV-UHFFFAOYSA-N	306.334	1.629	50	20	DDGD	
CCC[C@@H]1C[C@H]1NC(=O)NNC(=O)c1ccc2c(c1)OCCO2	267811384	YRPDJJQBJFXICA-ZYHUDNBSSA-N	319.361	1.590	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2cccc(F)c2)CCCC1	269593529	SJYJDZHJDSXSKB-UHFFFAOYSA-N	300.355	1.626	50	20	DDGD	
Cc1nn(C)c(C)c1CC(=O)NNc1ncnc2ccsc12	268950893	ICTIJZANDFJEIG-UHFFFAOYSA-N	316.390	1.727	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)o1	267705340	IRPMOPJJQZHICN-UHFFFAOYSA-N	311.338	1.264	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NC[C@@]1(C)CCO[C@@H]1C1CC1	364166940	CTDHZHGQCPAOFR-CZUORRHYSA-N	311.426	1.958	50	20	DDGD	
O=C1CCC[C@H](C(=O)NNc2ccc(C(F)(F)F)cn2)N1	274773345	VMNUUCCTAVWDRM-MRVPVSSYSA-N	302.256	1.212	50	20	DDGD	
O=C1CCC[C@H](C(=O)NNc2cc(C(F)(F)F)ccc2F)N1	270453208	FMIUPSUIAOOXDA-SECBINFHSA-N	319.258	1.956	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1cnn(-c2ccccc2F)c1	272615710	STQFVRVMCBPMCF-UHFFFAOYSA-N	317.324	1.964	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1cccc2c1CCCC2	276205900	NWVMZKSFLBPBED-UHFFFAOYSA-N	318.377	1.196	50	20	DDGD	
O=C(Cc1ncccc1F)NNc1nc(-c2ccncc2)no1	369616687	UAKVZMMBVKTBJD-UHFFFAOYSA-N	314.280	1.352	50	20	DDGD	
CN1C(=O)Cc2cc(NC(=O)NNC(=O)C3CCC3)ccc21	278601682	CCBKEVKDUMQATN-UHFFFAOYSA-N	302.334	1.158	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2CCCN2C2CC2)c1	279722448	MLMJZVNZIQPYDJ-HNNXBMFYSA-N	316.405	1.140	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2c[nH]nc2[C@H]2CCOC2)s1	275219958	AGJASYNMOSDRKJ-VIFPVBQESA-N	320.374	1.358	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)c2ccc[nH]2)CCO[C@H]1C1CC1	375111096	NXMJARDEHHKOPH-SWLSCSKDSA-N	306.366	1.164	50	20	DDGD	
CCc1nc(C(=O)NN(C)C(=O)OC)nn1-c1ccccc1F	285770255	AEACQYYROCZWIO-UHFFFAOYSA-N	321.312	1.312	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)[C@@H]1COCCN1C1CCCC1	287883980	DUAXJEYTACPWMK-ZDUSSCGKSA-N	324.812	1.822	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H]1C[C@]12CCOC2	373400060	VCVRRBGPWIDXFF-GUYCJALGSA-N	318.373	1.202	50	20	DDGD	
COC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)Nc1ccccc1	282816938	PPAYXRADBRUEFU-LBPRGKRZSA-N	322.365	1.610	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNc1ccncn1)c1ccsc1	296517157	HFPMGFYSICYDTL-LLVKDONJSA-N	306.395	1.467	50	20	DDGD	
Cn1[nH]cc2c(=NC(=O)NNc3c(F)cccc3F)ccnc1-2	806489083	VXEVSZBSFUKPMD-UHFFFAOYSA-N	318.287	1.769	50	20	DDGD	
COc1cc(NNC(=O)C2(OC)CCOCC2)ccc1Cl	803261960	NRDHLNFRVCORQE-UHFFFAOYSA-N	314.769	1.987	50	20	DDGD	
Cc1ncc2n1CC[C@@H](C(=O)NNc1cccc(Cl)n1)C2	293719810	PHKGSOZEIZWBQD-SNVBAGLBSA-N	305.769	1.946	50	20	DDGD	
CS[C@@H]1CC[C@H](N(C)S(=O)(=O)CBr)C1	707184973	AMTYCCMKFUYHPX-JGVFFNPUSA-N	302.259	1.885	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)[C@@H]1OC[C@@H]2COCC[C@H]21	290308869	CTTDRYONEZLWKX-WOSRLPQWSA-N	313.357	1.729	50	20	DDGD	
C#CCN(C)CCCNC(=O)NNc1ncnc2ccsc12	297055451	XOPJCBGPVGIGAQ-UHFFFAOYSA-N	318.406	1.273	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc(Cl)nc1Cl	297786153	QYMMPNUQWXZRTK-MRVPVSSYSA-N	318.160	1.719	50	20	DDGD	
CC(=O)NNC(=O)Nc1nc(Sc2ccccc2)ns1	809881631	JVTXICLVDZNAQK-UHFFFAOYSA-N	309.376	1.862	50	20	DDGD	
O=C(Cc1ccc(Cl)cn1)NNC(=O)NCC(F)(F)F	803352730	WKKGSOJXGWQHKV-UHFFFAOYSA-N	310.663	1.170	50	20	DDGD	
CCOc1ncc(C)cc1NC(=O)NNC(=O)c1cccn1C	296710121	BMPXGHMMQJQLKB-UHFFFAOYSA-N	317.349	1.594	50	20	DDGD	
CCOC(=O)c1nn(C)cc1/C=C(\C#N)C(=O)N1CCCC1	292854625	YFCSGLVSLWPDIX-DHZHZOJOSA-N	302.334	1.126	50	20	DDGD	
Cc1nc(C2CC2)ccc1C(=O)NNC(=O)Cc1cccnc1	294503018	HBAASBJPYYFLFP-UHFFFAOYSA-N	310.357	1.666	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NCCC(C)(C)C2CC2)n1	297507790	OTFIUAVIORBRNO-UHFFFAOYSA-N	321.425	1.657	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)C(=O)c1ccc(O)cc1	806825551	ZVVNPJPPQCUOJI-UHFFFAOYSA-N	316.288	1.104	50	20	DDGD	
O=C(NCC(Cl)Cl)c1cnn(-c2ccc(F)cc2)n1	808131623	PVHNVITZWGDWOJ-UHFFFAOYSA-N	303.124	1.940	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCCC(F)(F)C1	800333608	ZRKYEJPYCDRTBV-SECBINFHSA-N	319.352	1.264	50	20	DDGD	
O=C(NNc1ncccc1F)c1ccc(N2CCOCC2)nc1	804220394	XCWZJHFSUWTDAE-UHFFFAOYSA-N	317.324	1.209	50	20	DDGD	
CNc1c(C(=O)NNc2ncncc2F)cccc1[N+](=O)[O-]	817080756	ZLVXQJFUFLCDAB-UHFFFAOYSA-N	306.257	1.323	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)NCC1CC1)c1ccc(Cl)cc1	815114907	OAUCPPZFQYWDOW-AWEZNQCLSA-N	311.769	1.288	50	20	DDGD	
CN(NC(=O)C[C@@H](c1ccccc1)N1CCOC1=O)C1CC1	819646648	BTUHFUNVTDPRAY-AWEZNQCLSA-N	303.362	1.695	50	20	DDGD	
C[C@H]1CCCC[C@@H]1C(=O)NNC(=O)COc1ccccc1O	819252802	XUKRBTZPMGKOBA-RYUDHWBXSA-N	306.362	1.745	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cccc(O)c1Cl	814854765	WWEYCKWNSFSLBV-UHFFFAOYSA-N	311.769	1.801	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1ccc2oncc2c1	814763105	SRJNOKFYOLQWRX-LBPRGKRZSA-N	316.361	1.246	50	20	DDGD	
CON(C)C(=O)CNC(=O)NNc1cc(Cl)ccc1Cl	817796440	KEEVQAOYJHXCGD-UHFFFAOYSA-N	321.164	1.639	50	20	DDGD	
C[C@](C#N)(CC(=O)O)C(=O)NNc1cc(C#N)cc(Cl)n1	819846371	BBZJIYWADNIXHI-GFCCVEGCSA-N	307.697	1.054	50	20	DDGD	
CCOc1ccc(NNC(=O)C2CCN(C(C)=O)CC2)cc1	817904773	PPUXMQGVVSBSDJ-UHFFFAOYSA-N	305.378	1.787	50	20	DDGD	
CCN(CCc1ccccc1)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	827306271	FTYVASWNSDKEPR-DZGCQCFKSA-N	319.405	1.717	50	20	DDGD	
C[C@@H](NNC(=O)c1cc2c(nc1O)CCC[C@H]2O)C(F)(F)F	824829399	HMXNXJSQYBDVIT-LHLIQPBNSA-N	319.283	1.342	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)C[C@H](C)n1cccn1	822736858	XWBQMXRMQRNWIJ-JTQLQIEISA-N	320.324	1.903	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C(C)C)N2CCCCC2)nc(N)n1	828367147	IDBRZYBAOYLNTE-CYBMUJFWSA-N	306.414	1.321	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1cc(Cl)ccc1OC	496266030	QJKKZNVHUVKCKA-UHFFFAOYSA-N	308.743	1.288	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NNC(=O)CC1CC1	496814027	IVDZHIKTKIUKJC-LLVKDONJSA-N	311.382	1.333	50	20	DDGD	
CC[C@H]1C[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCO1	825182633	LJOADUHLJFXTHM-AAEUAGOBSA-N	316.365	1.515	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCc1nnc(-c2ccsc2)o1	823977557	ZRQXHKUJUDDIHN-SECBINFHSA-N	310.379	1.075	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1ccc(-c2nn[nH]n2)cn1	823281283	QURUTVLZLPSCAJ-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
COC(=O)N(C)CC(=O)NNC(=O)Nc1ccc(Cl)cc1	496622295	GQTZXSSNCPSJAV-UHFFFAOYSA-N	314.729	1.191	50	20	DDGD	
CN(NC(=O)c1cnc2nccnc2c1)C(=O)OC(C)(C)C	496247660	PHWHDTHIBSYGAN-UHFFFAOYSA-N	303.322	1.537	50	20	DDGD	
CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NNC(=O)CC2CC2)C1	496555748	YJASDSGAABYXHF-NSHDSACASA-N	323.393	1.191	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCOc1ccccc1	825618278	KXKMPFGXOXTVMS-JSGCOSHPSA-N	321.377	1.211	50	20	DDGD	
CC(=O)N1CC[C@H](CN(C)C(=O)[C@@]2(C)C[C@@H]2Br)C1	907124004	OGCHKVFCKANAKF-MDZLAQPJSA-N	317.227	1.487	50	20	DDGD	
CC(C)(C)OC(=O)NCCC=NNC(=O)N=c1cc[nH]cc1	497265740	PQVUTNVRIOQVPH-UHFFFAOYSA-N	307.354	1.526	50	20	DDGD	
O=C(c1cc(Cl)nc(N2CCCC2)c1)N1CC[C@H](B(O)O)C1	585069859	QWHGMKNFKYGMGB-NSHDSACASA-N	323.589	1.024	50	20	DDGD	
COC(=O)N(C)N=C(C)Cn1cc(C(F)(F)F)ccc1=O	497059600	XHDRUZTVHXXVKC-UHFFFAOYSA-N	305.256	1.941	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cccc(NC(=O)NN(C)C)c1	491160967	MTCYISQBQFHBOT-ZHACJKMWSA-N	317.349	1.667	50	20	DDGD	
COCCOC[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H]2Br)C1	906834707	JJAKYCILKOSXFD-NTZNESFSSA-N	320.227	1.671	50	20	DDGD	
CC(C[C@@H](C)NC(=O)OC(C)(C)C)=NNC(=O)Cc1cc[nH]n1	495649230	BQIVRCSDHYDSNG-SNVBAGLBSA-N	323.397	1.748	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1occc1C	495985977	BTTSHCDSCJNEGC-GFCCVEGCSA-N	319.361	1.955	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cnn(CC2CCC2)c1	901154233	QDCGUBXVOIWHOZ-UHFFFAOYSA-N	305.426	1.865	50	20	DDGD	
Cc1ccc2c(c1)C(=NNC(=O)CNC(=O)c1ccco1)CC2	730946772	MNVFGSJAXGGSHY-UHFFFAOYSA-N	311.341	1.785	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1ccccc1	827165208	CNPPWPZETDMVJH-FPMFFAJLSA-N	305.378	1.893	50	20	DDGD	
CCCOc1ccc(-c2nc(C(=O)NCB(O)O)cs2)cc1	585063070	YWJMGDIAEDFVDD-UHFFFAOYSA-N	320.179	1.341	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H]2CCN2C2CCCC2)n1	823694223	ABLAFHOKGYAZBE-NSHDSACASA-N	309.801	1.898	50	20	DDGD	
CCOC(=O)[C@@H]1CCCN(CC(=O)NNc2ncccc2C)C1	907697691	MKQLRVSLYUHMFG-CYBMUJFWSA-N	320.393	1.108	50	20	DDGD	
CCC1(CC)Oc2ccc(NCc3ccc(B(O)O)o3)cc2O1	585036789	NHKMZPBXPHTLTL-UHFFFAOYSA-N	317.150	1.859	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1nc(-c2ccccc2)no1	730285216	XMLLJXPQRFHYJZ-ZDUSSCGKSA-N	311.345	1.277	50	20	DDGD	
CCC(CC)CNC(=O)NNc1cccc(-c2nn[nH]n2)c1	736342977	VGDMIIMTPPVWMQ-UHFFFAOYSA-N	303.370	1.929	50	20	DDGD	
CCn1cc(C=NNC(=O)[C@@H]2COc3ccccc3O2)cn1	732527058	GIFXRLUWMQMEQI-AWEZNQCLSA-N	300.318	1.193	50	20	DDGD	
C[C@H](C[C@@H]1CCCO1)c1nc(-c2ccc(B(O)O)cc2)no1	585051461	HLWNUCGGZYDXEL-MFKMUULPSA-N	302.139	1.089	50	20	DDGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NN(C)C(=O)OC(C)(C)C	497069624	CJCMUGRGDVPJMX-ONGXEEELSA-N	301.387	1.435	50	20	DDGD	
CCc1nc(CNC(=O)NNc2nc(C)cc(OC)n2)co1	838695144	PCSYRGZHCIMUND-UHFFFAOYSA-N	306.326	1.170	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NCCCc2cnn(C)n2)c(C)c1	838616375	YOMMMPJGHNSWRP-UHFFFAOYSA-N	316.409	1.999	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)OCCOCC(F)(F)F)cn1	837972262	SUJWWQJQPRRJBB-ONNFQVAWSA-N	303.240	1.449	50	20	DDGD	
C[C@@]1(CC(=O)NNC(=O)NCC(F)(F)F)CC1(Cl)Cl	831754422	NBQKXQQKTYZDHD-SSDOTTSWSA-N	322.114	1.853	50	20	DDGD	
COCn1ccc(C(=O)NNc2ccc(C(F)(F)F)nn2)n1	831164498	KVDWFFVHHWWSKI-UHFFFAOYSA-N	316.243	1.053	50	20	DDGD	
C[C@@]1(C(=O)NNc2nc3ccccn3n2)C[C@H]1Br	907697289	JUGCQARUNTVOAF-RDDDGLTNSA-N	310.155	1.346	50	20	DDGD	
Cc1cnccc1C=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1	834935294	QWFUOOQBDCMRCB-SOUVJXGZSA-N	318.421	1.585	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCOc1ccc(C)cc1C	731278892	PQQXWPPQYYZFJW-UHFFFAOYSA-N	309.366	1.049	50	20	DDGD	
Cc1cccnc1NNC(=O)CCN1CCN(C(C)C)CC1	907697351	KJXTYFAURLQOEV-UHFFFAOYSA-N	305.426	1.249	50	20	DDGD	
O=C(CSc1ccc(F)cc1)NNC(=O)[C@@H]1CCCCO1	833261893	RRZAJIPPYWDLDY-LBPRGKRZSA-N	312.366	1.634	50	20	DDGD	
NCCCCCCNC(=O)NNC(=O)c1ccc(Cl)cc1	831248645	LFPCKOGUGHCCRF-UHFFFAOYSA-N	312.801	1.803	50	20	DDGD	
COc1ccc(C(C)=O)cc1CC(=O)NNc1cc(C)ncn1	734254263	BPPVATMCOVRXHV-UHFFFAOYSA-N	314.345	1.682	50	20	DDGD	
CC1(C)C[C@H](NC(=O)c2cccc(B(O)O)c2)c2ccccc21	584966403	YZHKEGUSLTXYPV-INIZCTEOSA-N	309.174	1.519	50	20	DDGD	
CCOC(=O)[C@@H](CCOC(C)(C)C)NS(=O)(=O)CCl	831042427	FSDJCFSJRBYALK-SECBINFHSA-N	315.819	1.239	50	20	DDGD	
O=C(NN=Cc1cn(Cc2ccccc2)nn1)NC1CCCC1	901177074	OMDBHBHINIJEOM-UHFFFAOYSA-N	312.377	1.902	50	20	DDGD	
CO[C@@H]1CN(C(=O)CCCC[C@@H]2CCSS2)C[C@H]1O	836955301	HDOUEKAQDISCGC-IJLUTSLNSA-N	305.465	1.919	50	20	DDGD	
CCCN1C[C@H](C(=O)NNC(=O)c2ccccc2C)CC1=O	839472677	FZCKXLZICBIIQM-GFCCVEGCSA-N	303.362	1.015	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H]2CCOC2)c1C	730401729	PGFVFRJGWIMUKI-LRQZKABGSA-N	318.373	1.990	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)on1	733756032	LOAVMXGPPRPHRM-UHFFFAOYSA-N	318.289	1.781	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2cnn(-c3ccc(F)cc3)c2)cn1	735413817	QIXPJMVQNVOLRR-UHFFFAOYSA-N	312.308	1.509	50	20	DDGD	
COCc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	831733933	FPXDRWPYNQQMSG-GXFFZTMASA-N	307.350	1.411	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)CC(=O)O)c1C	737836704	IWVOECABSYVKGF-RIYZIHGNSA-N	303.362	1.965	50	20	DDGD	
O=C(C[C@@H]1OCCc2ccsc21)Nc1cccc(B(O)O)c1	584909860	JHUBDBXILGYWIT-ZDUSSCGKSA-N	317.175	1.071	50	20	DDGD	
COc1ccnc(NNC(=O)NCCc2ccc(C)cn2)n1	838732195	BEABVRZRAQOIKR-UHFFFAOYSA-N	302.338	1.057	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNc1ccc(C(=O)O)cn1	833541134	ZGNYCECHOWPIBF-VIFPVBQESA-N	319.292	1.830	50	20	DDGD	
COc1nccc(C=NNC(=O)CCN2CCCCCC2)n1	834931592	MEOUSKKZMRROMV-UHFFFAOYSA-N	305.382	1.201	50	20	DDGD	
CO[C@H](CS(=O)(=O)NCCCSC#N)c1ccccc1	916999190	CZXLRLHDKPPCNP-CYBMUJFWSA-N	314.432	1.898	50	20	DDGD	
Cc1nc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)cs1	916351450	HKUAYGPMZLGMMO-UHFFFAOYSA-N	313.346	1.191	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccc(N)cc2)cc2c1OCO2	916264285	IIODINPCDBRKNY-UHFFFAOYSA-N	313.313	1.770	50	20	DDGD	
CC(C)c1ccccc1C=NNC(=O)[C@@H]1CCS(=O)(=O)C1	848404173	FYVQXLPKMHFBNR-CYBMUJFWSA-N	308.403	1.695	50	20	DDGD	
COc1ccccc1CNC(=O)NNC(=O)CC(F)(F)F	918000332	LERTZNRYOULKPT-UHFFFAOYSA-N	305.256	1.478	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@@H](C)[C@@H]2CCOC2)cc1	845009247	CKCMVPBDACCWQL-WCQYABFASA-N	321.377	1.453	50	20	DDGD	
C[C@H]1CO[C@H](C)CN1CCNS(=O)(=O)CCCCCl	849429103	IWAVZAPNKWNNLW-NWDGAFQWSA-N	312.863	1.034	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@](C)(O)CSc1cccc(F)c1	910154772	FGYYMITWHWWVBQ-QMTHXVAHSA-N	316.398	1.013	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)ccn1	843653953	PDXLOEVHWCDKKG-ZYHUDNBSSA-N	307.350	1.055	50	20	DDGD	
C[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)Cc2ccccc21	744384778	HQSXPSCFGFULKT-LBPRGKRZSA-N	303.406	1.799	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCCOc1ccc2c(c1)CCC2	910160921	QDQCIIXWVBTOTL-CYBMUJFWSA-N	306.406	1.678	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC[C@H]1c1cccc(F)c1	748833680	TYITYHDGNVXRDR-ZDUSSCGKSA-N	307.369	1.766	50	20	DDGD	
O=C(CN1CCCNC1=O)NNc1ccc(C(F)(F)F)cc1	747599091	MOUPJPKBRZRAJV-UHFFFAOYSA-N	316.283	1.564	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCCS(=O)(=O)C1CC1	840522535	CWFYHQZHNASGKR-FMIVXFBMSA-N	322.361	1.426	50	20	DDGD	
CO[C@H]1CCCCC1=NNC(=O)c1cccc(S(C)(=O)=O)c1	915959139	GKFIFCCBLHNFGJ-AWEZNQCLSA-N	324.402	1.765	50	20	DDGD	
NC1(CNC(=O)NNc2ncnc3ccsc23)CCCCC1	841923709	CWKGVQQURKVOSZ-UHFFFAOYSA-N	320.422	1.979	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1cncc(NC(C)=O)c1)CC(C)C	841632410	KDNCHRJUPLQOEM-CQSZACIVSA-N	306.366	1.817	50	20	DDGD	
CCOc1ccc(C[C@@H](C)C(=O)NNC(=O)NC2CC2)cc1	840287937	AYVKHTRNNQSRJX-LLVKDONJSA-N	305.378	1.757	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(Cl)c(Cl)[nH]1	843973855	MCVXYEGXVVWHGV-WDSKDSINSA-N	306.149	1.508	50	20	DDGD	
O=S(=O)(CBr)N[C@@H]1CCCN2CCCC[C@H]12	848507973	CEOMWVRDDUQSNQ-NXEZZACHSA-N	311.245	1.275	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1CCO[C@@H](c2ccccc2)O1	847687717	UUVQFRVNRVXHMU-GXTWGEPZSA-N	307.350	1.183	50	20	DDGD	
CCN1CCN(C(=O)c2ccc(NC=C(C#N)C#N)cc2)CC1	743729819	IYQVCGFHQFCURM-UHFFFAOYSA-N	309.373	1.807	50	20	DDGD	
CC(C)C[C@@H](CN)NC(=O)NNC(=O)c1cc2ccccc2o1	841952473	UWXJFXZLRQIOOA-LBPRGKRZSA-N	318.377	1.750	50	20	DDGD	
COc1cc(C=NNC(=O)NCC2CC2)cc(OC)c1OC	920830761	MGLRWMUFTQPIIN-UHFFFAOYSA-N	307.350	1.756	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cccc(COC)c1	743442318	YESDSHBWXPOACB-UHFFFAOYSA-N	305.378	1.588	50	20	DDGD	
Cn1nc(C(=O)NN=C/C=C\c2ccco2)c2ccccc2c1=O	920365704	FIYWJGPBBTTXPY-AMQSJSHASA-N	322.324	1.956	50	20	DDGD	
O=C(C[C@H]1C=CS(=O)(=O)C1)NNc1cc(F)c(F)cc1F	754419996	KANLQDLICPOXIV-SSDOTTSWSA-N	320.292	1.495	50	20	DDGD	
Cc1cc(NNC(=O)CCS(=O)(=O)N(C)C)ccc1Cl	928340852	GFYOAUGCVPQBLN-UHFFFAOYSA-N	319.814	1.373	50	20	DDGD	
COC[C@H]1CCCN1C(=O)NNC(=O)COCc1ccccc1	752015741	PSQXXMKNKZKLQX-CQSZACIVSA-N	321.377	1.055	50	20	DDGD	
C[C@@H](CCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)CC(C)(C)C	858379681	IKWLASBDZRUDGX-QWRGUYRKSA-N	312.414	1.058	50	20	DDGD	
COc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)CC(F)(F)F)c1	920299581	INUOHHPHKZPDGH-UHFFFAOYSA-N	321.211	1.317	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)C[C@H]1C	758724158	JHRDWQPCVKHBGA-NMKXLXIOSA-N	317.455	1.192	50	20	DDGD	
O=C(NNC(=O)C1CCC(F)(F)CC1)c1cccc(F)n1	856423275	PXLQWODBNRUWOB-UHFFFAOYSA-N	301.268	1.807	50	20	DDGD	
CN(NC(=O)c1cncc(N2CCOCC2)c1)c1ccccc1	757726941	QJORMIOSSRVQCU-UHFFFAOYSA-N	312.373	1.699	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)C(C)(C)C)c1nccnc1C	853407717	BHMYZPMUWWAPHD-UHFFFAOYSA-N	319.409	1.568	50	20	DDGD	
O=C(NCC(F)F)C(=O)NNc1ccccc1C(F)(F)F	753789261	FUYYTGKBVYYKIH-UHFFFAOYSA-N	311.210	1.530	50	20	DDGD	
CC1(CC(=O)NNC(=O)c2nnc(O)c3ccccc23)CC1	757791809	NIBSRJHQUYKIJE-UHFFFAOYSA-N	300.318	1.287	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1ccc(-c2cc[nH]n2)cc1	756518506	XBCHZESGQNSMOR-UHFFFAOYSA-N	322.328	1.938	50	20	DDGD	
C[C@]1(CNC(=O)c2c[nH]nc2[N+](=O)[O-])C[C@H]1Br	857391634	RSNHNRRBDHYLIS-HZGVNTEJSA-N	303.116	1.221	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)C=C1CCCCC1	855830913	XYAMZKPIVDAMDC-UHFFFAOYSA-N	323.437	1.967	50	20	DDGD	
CCNC(=O)NNC(=O)C1CCC(NC(=O)C2CCCC2)CC1	751372630	WQXWROHCPZDAIV-UHFFFAOYSA-N	324.425	1.202	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)N[C@@H]1CCCc2cccnc21	927378791	YQKLGKVOOCKNFH-GFCCVEGCSA-N	323.360	1.828	50	20	DDGD	
COC(=O)CCC(C)=NNC(=O)c1nnc(-c2ccccc2)o1	756882030	HCQZRWOVGRKCNF-UHFFFAOYSA-N	316.317	1.796	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cccc(NC(=O)C(C)C)c1	755637111	KJUQNMTYFROYNO-UHFFFAOYSA-N	308.338	1.080	50	20	DDGD	
O=C(NNC(=O)c1ccc(-c2ccccc2)nc1O)NC1CC1	920823121	AVDJLBIGKGYBEF-UHFFFAOYSA-N	312.329	1.561	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccc(Cn2cncn2)c1	858778190	COCJXMGLVXBLMJ-UHFFFAOYSA-N	316.365	1.071	50	20	DDGD	
Cc1nccnc1CCNC(=O)NNc1ncc(Cl)cn1	856907927	IGRSKZHZWHTLCW-UHFFFAOYSA-N	307.745	1.097	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H](C)c1cccc(C)c1	854281846	KSOKIESANDYLMX-ZDUSSCGKSA-N	323.462	1.973	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cc(Cl)c(C)cc1O	853314951	QBOBSFNGLMHHEX-JTQLQIEISA-N	314.769	1.856	50	20	DDGD	
COC[C@H](C)S(=O)(=O)NC[C@]1(C)C[C@@H]1Br	856756635	QYOSFCKTQXRUDI-CIUDSAMLSA-N	300.218	1.114	50	20	DDGD	
CC[C@H](Oc1ccccc1Cl)C(=O)NN(C)C(=S)NC	854924229	GOWXMQVGEGGHBM-JTQLQIEISA-N	315.826	1.965	50	20	DDGD	
CNC(=S)N(C)NC(=O)Cn1cc(-c2ccccc2)c(C)n1	854920118	KOIFBBLECMVGMV-UHFFFAOYSA-N	317.418	1.326	50	20	DDGD	
O=C(CCCc1ccccn1)NNC(=S)NCC1CCC1	855091108	BLQMEWLAEFYOAJ-UHFFFAOYSA-N	306.435	1.700	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)c1	755854531	VDAPKCUAUWOTOJ-LBPRGKRZSA-N	304.394	1.870	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H]1CCc2cccnc21)C1CC1	855097614	USVXCCFUHWODCX-JOYOIKCWSA-N	304.419	1.405	50	20	DDGD	
CCc1ccccc1NC(=S)NNC(=O)COCCOC	865244948	WERVDVHXWIRXTD-UHFFFAOYSA-N	311.407	1.230	50	20	DDGD	
CC(C)c1ccc2c(c1)C(=NNC(=O)CS(C)(=O)=O)CCO2	863187963	JQHGMBDCOWPAAB-UHFFFAOYSA-N	324.402	1.457	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1cn(C2CC2)nn1	861409951	SJYGBYVYMXPOHU-UHFFFAOYSA-N	306.257	1.417	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C2CCN(C3CCCCC3)CC2)N1	863145646	PSJKPRFJJGLYDY-CQSZACIVSA-N	306.410	1.166	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CCC(=O)N1)c1cccc([N+](=O)[O-])c1	863146487	WMZVTFWAZUHREB-GFCCVEGCSA-N	304.306	1.104	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Cc1csc2nccn12	764584568	PQBGIWZWLKAUCT-UHFFFAOYSA-N	314.370	1.708	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2ncnc3ccsc23)CCCO1	765828983	WZJPAQIYTUHMMM-ZDUSSCGKSA-N	307.379	1.887	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)CCCc2ccccc2)CCO1	769715330	PVVPTWRGLDIAJD-DZGCQCFKSA-N	319.405	1.907	50	20	DDGD	
CN(NS(=O)(=O)c1ccc(F)nc1F)C(=O)OC(C)(C)C	867390754	UVNPBHBUTFTCKN-UHFFFAOYSA-N	323.321	1.420	50	20	DDGD	
O=C(COC(=O)C1=CCCC1)NNC(=O)c1ccc(Cl)cc1	761564019	QYFIXXIAWWDZKN-UHFFFAOYSA-N	322.748	1.755	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21	860541175	SOVMWVQBJFZGEH-JHJVBQTASA-N	321.471	1.431	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCc1cn[nH]c1)c1ccccc1	863870523	HVLTWPSQOMMIPU-CQSZACIVSA-N	300.362	1.684	50	20	DDGD	
CCc1ccccc1NC(=O)C(=O)NNc1nccnc1OC	766264970	UQZQEVNOTNOODB-UHFFFAOYSA-N	315.333	1.129	50	20	DDGD	
C[C@@H](NNC(=O)[C@@H](O)Cc1ccccc1Cl)C(F)(F)F	862318602	RMXYSEDMAJWQDW-XCBNKYQSSA-N	310.703	1.815	50	20	DDGD	
C[C@H]1CC(NC(=O)NNC(=O)c2ccccc2O)C[C@H](C)O1	768123109	XUOUUXOJYDSINM-UWVGGRQHSA-N	307.350	1.292	50	20	DDGD	
COCCOCC(=O)NNC(=O)[C@@H]1CCC[C@H]1c1ccccc1	869904114	PVHRCHSSAVBZDB-LSDHHAIUSA-N	320.389	1.381	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(C)ccc1C	863078202	SRZNPYYGOXEDGM-CYBMUJFWSA-N	322.430	1.968	50	20	DDGD	
Cc1nn2c(C=NNC(=O)c3cn[nH]c3)c(C(C)C)nc2s1	863154609	HBFDNNXBBIDINO-UHFFFAOYSA-N	317.378	1.710	50	20	DDGD	
COc1cccc(NNC(=O)c2coc(C3CCOCC3)n2)n1	768184667	IZCGKVVGCWOZKG-UHFFFAOYSA-N	318.333	1.729	50	20	DDGD	
COC/C=C/C(=O)NNC(=O)CSc1ccccc1OC	867069016	SSOYHGAYJRLCMQ-VMPITWQZSA-N	310.375	1.137	50	20	DDGD	
Cc1cc(=NNC(=O)c2ccoc2C2(O)CCOCC2)cc[nH]1	1118971057	RUSNLCUIKLFZAV-UHFFFAOYSA-N	317.345	1.160	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1ccccc1N(C)C	769585371	NVARXEITVQTSCT-CYBMUJFWSA-N	307.394	1.644	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2cc(C(N)=O)cs2)c1	768711331	LVBPBEXPUUSDNR-UHFFFAOYSA-N	321.749	1.524	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1oc2ccc(F)cc2c1C	760333963	BQZNXELOUNYBRO-UHFFFAOYSA-N	300.311	1.600	50	20	DDGD	
CCCCCn1cc(CNC(=O)NN(C)C(=O)OC)c(C)n1	875442438	OVJDOTMRUJEJIC-UHFFFAOYSA-N	311.386	1.794	50	20	DDGD	
CCCOc1ncccc1CNC(=O)NN=c1cc[nH]c(C)c1	875150795	FSQNMDVNZQBCLP-UHFFFAOYSA-N	315.377	1.822	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)COC[C@@H]2CCCO2)c1	873775947	VDUYNRNVQVONHS-ZDUSSCGKSA-N	323.418	1.508	50	20	DDGD	
CC(=NNC(=O)Cn1c(C)nc2ccccc21)c1cn(C)cn1	872330378	FJUJTXBUZLKLEU-UHFFFAOYSA-N	310.361	1.619	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)/C=C/c1cccc(F)c1	771892050	PYENAFDVTBZUKB-JARNTUPDSA-N	308.309	1.328	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)C1CC1)c1ccc(F)cc1F	775448889	FXWOTROCYAECME-CYBMUJFWSA-N	311.332	1.563	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(C)c(N2CCNC2=O)c1	775740948	PHXCBRSUNXNOOI-BENRWUELSA-N	314.345	1.907	50	20	DDGD	
CC(=NNC(=O)CO)c1cc(Br)cc(C)c1O	777443380	UDHILEGQZHZQIM-UHFFFAOYSA-N	301.140	1.296	50	20	DDGD	
CC1(F)CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC1	879381823	MLBPVJOFPFIOOQ-UHFFFAOYSA-N	318.352	1.143	50	20	DDGD	
CC[C@@H]1CCCN(C(C)(C)CNC(=O)NN(C)C(=O)OC)C1	875269353	VYNQLZCBHCNMGD-GFCCVEGCSA-N	314.430	1.799	50	20	DDGD	
O=C(CO)NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])s1	776781196	YOFLBDIPIRLMLA-UHFFFAOYSA-N	305.315	1.766	50	20	DDGD	
C[C@@H](CNS(=O)(=O)c1ccc(CCCCl)cc1)C(=O)O	776450071	GZUGTFSKWUKVGB-JTQLQIEISA-N	319.810	1.857	50	20	DDGD	
Cc1ccc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)c(F)c1	772167689	KSRGZDGNHPFMAL-NSHDSACASA-N	324.352	1.873	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNc2nccnc2C(C)C)C1	772889898	FMSLVFXPLPNKBC-NSHDSACASA-N	305.382	1.302	50	20	DDGD	
CCN(CC)CC(=O)NNC(=S)Nc1cccc(Cl)c1	873785944	UYYTXHBVTZWNCR-UHFFFAOYSA-N	314.842	1.999	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=Cc1cccc2nccn12	771086939	BNIIYDWLZSSJNT-UHFFFAOYSA-N	319.324	1.735	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1ccc(Cl)cn1	774391418	AVOQKGSEDFNCLK-UHFFFAOYSA-N	321.724	1.019	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H]2CNC(=O)C2)c1C	770818541	MTIZXNCLHOEAMA-LULHVWEPSA-N	315.373	1.854	50	20	DDGD	
CCS(=O)(=O)NCC(=O)NNc1cc(Cl)ccc1C	885125647	UYTZQCUGROHKHG-UHFFFAOYSA-N	305.787	1.031	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccc2nc(C(F)(F)F)cn2c1	770208467	JJDPRPZTNYBPNN-UHFFFAOYSA-N	312.251	1.524	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(C(=O)OC)cn2)cc(O)n1	778397968	JAJCSDCDKBFZRI-UHFFFAOYSA-N	316.317	1.288	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccccc2F)CC1)c1cccnn1	882057379	VPSGBNWKBSKDKN-UHFFFAOYSA-N	314.320	1.400	50	20	DDGD	
CC1(OCC(=O)NNC(=O)Cn2cnc3ccccc32)CCC1	773251305	LCBGWWRGKBEQBB-UHFFFAOYSA-N	316.361	1.143	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCc1cccc(OC)c1	771969261	OWJCVMGAKRLTFF-LLVKDONJSA-N	322.361	1.117	50	20	DDGD	
CC[C@H](NC(=O)NNc1cccc(S(C)(=O)=O)c1)C(F)F	881012534	FNHRQJJJYZOCDE-JTQLQIEISA-N	321.349	1.760	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)/C=C/c2ccc(Cl)cc2)CC1	773656942	FURORHNPXUDCOE-QPJJXVBHSA-N	322.796	1.341	50	20	DDGD	
C[C@@H](C(=O)NNc1c(F)cc(F)cc1F)N1C(=O)CCC1=O	885150691	GTLAVQGDEIUEPP-LURJTMIESA-N	315.251	1.085	50	20	DDGD	
Cc1cccc2c1CC[C@@H]2NC(=O)NNC(=O)C1CCOCC1	883333829	DKBNKDQXYSMKAP-HNNXBMFYSA-N	317.389	1.739	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NC[C@@H](O)c1ccncc1	787469392	VCYYDBUGEJZBNF-IHWMJMDHSA-N	309.325	1.544	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCS(=O)(=O)CC1	781088256	NNQULCQGAPQAHS-MRVPVSSYSA-N	312.229	1.053	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)CSc2ccccc2O)CO1	784460374	YBJQPFQPTVUENG-NXEZZACHSA-N	310.375	1.057	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCC(=NNC(=O)c2ccc(O)cc2)C1	788407912	IAUKOSCFTSMIGV-ZDUSSCGKSA-N	310.375	1.465	50	20	DDGD	
COc1cc(NNC(=O)N[C@H]2CCN(C)C2=O)ccc1Cl	789036760	INDQFMMXHFJWEK-JTQLQIEISA-N	312.757	1.205	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)NC[C@@H]1CCC=CO1	780742606	AONCIVGPPSMTIX-ZDUSSCGKSA-N	323.324	1.228	50	20	DDGD	
O=C1Nc2ccc(C(F)(F)F)cc2C1=NNC(=O)C(F)F	782234583	YJMFASWZLNRQOG-UHFFFAOYSA-N	307.178	1.743	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc(-c2cnn(C)c2)ccc1F	782553162	XHEJNQFUWMVPIY-UHFFFAOYSA-N	305.313	1.142	50	20	DDGD	
O=C1COc2cc(C(=O)NNc3ncncc3Cl)ccc2N1	781830852	XZTVSMUFPXDSKN-UHFFFAOYSA-N	319.708	1.218	50	20	DDGD	
O=C(NCCC1CCC(F)(F)CC1)NNC(=O)c1cn[nH]c1	898578881	VBUCPWCNCKUAPR-UHFFFAOYSA-N	315.324	1.569	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)[C@H]1CCN(Cc2ccccc2)C1	785466252	OEUSWEYXHGCQMI-HNNXBMFYSA-N	303.406	1.772	50	20	DDGD	
Cn1cc(C(=O)NN=C2CC[C@H](C(=O)O)c3ccccc32)cn1	789020052	CVKHLWRIFYBPME-ZDUSSCGKSA-N	312.329	1.516	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H](CC(=O)NNc1ncccn1)C1CC1	785159968	RGULBAMBXLHHGC-NSHDSACASA-N	321.381	1.613	50	20	DDGD	
CCNC(=O)CC(=O)NNC(=S)Nc1ccccc1C(C)C	789902476	BUINNOHUQQIGFM-UHFFFAOYSA-N	322.434	1.654	50	20	DDGD	
Cc1cc(NC(=O)NNc2ccc(-n3ccnc3)nn2)no1	796654767	HPVNMJDXKFOFDC-UHFFFAOYSA-N	300.282	1.107	50	20	DDGD	
COCCN(C)c1ccc(C=NNC(=O)NC2CCCC2)cn1	790159890	OGWFAWYJABBJCK-UHFFFAOYSA-N	319.409	1.740	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Cc2ncccc2F)c1	792014568	LGFYEEUXBQHZLW-UHFFFAOYSA-N	317.320	1.298	50	20	DDGD	
COCc1cc(C=NNC(=O)[C@H](C)Oc2ccc(F)cc2)no1	794878519	PVKJSHJSDCHWIM-JTQLQIEISA-N	321.308	1.878	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Cc1ccccc1C	790064198	WFQSVGRVIOSOAB-UHFFFAOYSA-N	308.378	1.474	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2csc(O)n2)cc1	792802744	KGNXWPSMBKCLFD-UHFFFAOYSA-N	321.358	1.251	50	20	DDGD	
C=CCOc1cccnc1C(=O)NNc1nc2ccccn2n1	791252954	QKBONOHYMRFIAA-UHFFFAOYSA-N	310.317	1.446	50	20	DDGD	
CCCNC(=O)NN=Cc1c(Br)c(C)nn1C	790287342	PWKINSICXPARIK-UHFFFAOYSA-N	302.176	1.534	50	20	DDGD	
Cc1cccnc1NNC(=O)CCc1nc(-c2ccccn2)no1	791224776	HFFGMSBBESZMJQ-UHFFFAOYSA-N	324.344	1.911	50	20	DDGD	
CO[C@H](C(=O)OC[C@@H](C)CBr)c1cnn(C)c1	798772775	DUIOEYOAZNOSJA-WPRPVWTQSA-N	305.172	1.682	50	20	DDGD	
COC(=O)C(=O)NN=Cc1cccn1-c1ccc([N+](=O)[O-])cc1	1319345708	IZNRMDVXQMMPJE-UHFFFAOYSA-N	316.273	1.009	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1ccc(C(C)(C)C)nn1)[C@H]1CCCO1	1320507235	UCWNKRMAANAPBV-VXGBXAGGSA-N	317.393	1.581	50	20	DDGD	
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)NNC(=O)N(C)C	1322110590	PSTRCEDQKXQIFA-UHFFFAOYSA-N	313.423	1.757	50	20	DDGD	
CC(C)CC1(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CCC1	1326003762	AVXUCACMNFJWPQ-OLZOCXBDSA-N	311.426	1.958	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ccnc3ccncc23)c1Cl	1322979687	MAWMUUHNBUOCSL-UHFFFAOYSA-N	315.724	1.412	50	20	DDGD	
COc1cccc(C(=O)NNc2ccn(C)n2)c1OC(C)C	1328986050	AZQYFXODHYTJCN-UHFFFAOYSA-N	304.350	1.973	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1)C1CC1	1329258366	RAFRBODBNINWDY-HZMBPMFUSA-N	324.352	1.556	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)OCC(F)(F)F)cc1	1336025002	OENDQCAHXVWQAP-UHFFFAOYSA-N	305.256	1.686	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)c1c[nH]cc(Cl)c1=O	1334740669	UADVFTAVCRDDDS-UHFFFAOYSA-N	314.732	1.755	50	20	DDGD	
CN1CCCC[C@@H]1CNC(=O)NNc1ncnc2ccsc12	1263241081	BCFGQLZXOXUHRC-SNVBAGLBSA-N	320.422	1.802	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cccc(C#N)c2)ccc2cncn12	1342107129	RNXWMXYIOPMHGX-UHFFFAOYSA-N	319.324	1.589	50	20	DDGD	
CC(=NNC(=O)C1CCOCC1)c1nc2ccccc2n1C	1349839300	LEPYGJABFRFWPY-UHFFFAOYSA-N	300.362	1.840	50	20	DDGD	
O=C(NNC(=O)C(=O)O)N[C@@H](c1ccc(F)cc1)C1CCCC1	1608477185	GHVBFSJWAZMLQX-GFCCVEGCSA-N	323.324	1.472	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cccc3ccc(O)nc23)nc1	1608904819	KQBSPPGQBWJWJO-UHFFFAOYSA-N	324.296	1.791	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2cnn3cccnc23)cc1	1608781542	IVZKYTUXVOXXAJ-UHFFFAOYSA-N	311.301	1.113	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncccc1F)[C@@H]1C[C@H](C(=O)O)C1(C)C	1603232649	QRQJNIWHJOTOGP-KXUCPTDWSA-N	324.356	1.982	50	20	DDGD	
CC[C@@](COC)(NC(=O)[C@H](Br)C(C)(C)C)C(=O)O	1605047200	HIQNLZZFMNEMNM-UFBFGSQYSA-N	324.215	1.792	50	20	DDGD	
O=C(NC[C@@H]1CCCCO1)NNc1ccc(C(=O)O)cc1F	1601482216	HAMNSIBDJZEZSQ-JTQLQIEISA-N	311.313	1.719	50	20	DDGD	
CCc1nnc(NC(=O)NNc2cccc(C(=O)O)c2)s1	1610074520	ILRSLXLZTVXVJG-UHFFFAOYSA-N	307.335	1.947	50	20	DDGD	
COC[C@H](C)C=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccnn1C	1549314414	CWCQVQGUHLZTRG-BZPMIXESSA-N	308.382	1.272	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H](N)CC2CC2)c(C)c1	1579723072	XMWBZCDYNBTTDH-GFCCVEGCSA-N	306.435	1.748	50	20	DDGD	
C[C@@H](CCCCN)NC(=O)NNc1cccc(C(=O)O)c1F	1592485785	VUCUHTIKWUMOJZ-VIFPVBQESA-N	312.345	1.668	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@H]1CC[C@@H](C(=O)O)C1	1594781015	COJXQWLBHHVSPC-WDEREUQCSA-N	304.350	1.688	50	20	DDGD	
O=C(O)C1(C(=O)NNc2c(F)cccc2F)CCOCC1	1594865578	YCWOLINTTCQGPC-UHFFFAOYSA-N	300.261	1.289	50	20	DDGD	
O=C(COCCc1ccccc1)NNc1ncccc1C(=O)O	1594701447	FDXHHTQASCEOGN-UHFFFAOYSA-N	315.329	1.482	50	20	DDGD	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNc1nc(-c2ccccc2)no1	1594227616	YRBMPPKJIIKHFL-CLAHSXSESA-N	302.290	1.291	50	20	DDGD	
CCCCS(=O)(=O)/C(C#N)=C\c1ccccc1-c1nn[nH]n1	1590611540	MCWRQGARGJECAS-XFXZXTDPSA-N	317.374	1.946	50	20	DDGD	
COc1nccc(C=NNC(=O)Nc2ccc(C(=O)O)cc2)n1	1776045427	JMNJFLIWMIEZKZ-UHFFFAOYSA-N	315.289	1.339	50	20	DDGD	
O=C(O)c1cnc2c(c1)C(=NNC(=O)c1ccnnc1)CCC2	1776081177	BYLDNMCTZNYEQA-UHFFFAOYSA-N	311.301	1.040	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccccc1OCCC(=O)O	1776117663	DSPFVLGMSZBJRF-RAXLEYEMSA-N	318.329	1.210	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2ccc(OC(F)F)cc2)[nH]n1	152965737	ZGJRVWGYTVUCDK-UHFFFAOYSA-N	324.287	1.323	50	20	DDGD	
CCOCCC1(C(=O)NNC(=O)c2cc(C)n[nH]2)CCCC1	153902823	AJXXHNOZZMFZRD-UHFFFAOYSA-N	308.382	1.466	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cccnc2-n2cccn2)cc1	155194505	OHFYIWJGERHYLS-UHFFFAOYSA-N	304.313	1.896	50	20	DDGD	
Cc1cc(C)c2cc(C(=O)NNc3ccc(C(N)=O)nn3)[nH]c2c1	154288868	NALLRBNFHXJMHA-UHFFFAOYSA-N	324.344	1.431	50	20	DDGD	
O=C(NNc1ccncc1Cl)[C@H]1CC(=O)N(C2CCCC2)C1	154791709	VOHIZHWSZGHPQS-JTQLQIEISA-N	322.796	1.969	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNC(=O)c2ccncc2)cc1	159811028	IFRLITHSMXJCPJ-UHFFFAOYSA-N	312.329	1.044	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O	159717196	MWYUNHOTZHHDKL-NVXNZCMISA-N	313.357	1.741	50	20	DDGD	
O=S(=O)(c1ccc(CCl)cc1)N1C[C@@H]2[C@@H](CO)[C@@H]2C1	915822294	NBMGPWAMYYQROG-ITGUQSILSA-N	301.795	1.284	50	20	DDGD	
CCC1(CNS(=O)(=O)CBr)CCOCC1	308890743	HJUROOICBSXKDU-UHFFFAOYSA-N	300.218	1.465	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)Cn2nc(C)cc2C)cc1	8300808	GEWQIJSCNCOSJD-UHFFFAOYSA-N	300.362	1.198	50	20	DDGD	
O=C(/C=C/c1cncc(F)c1)NNC(=O)Cc1cccnc1	104415521	KCXDCSIZLJUDBE-ONEGZZNKSA-N	300.293	1.019	50	20	DDGD	
CC(C)S(=O)(=O)c1ccc(C(=O)NNc2ncccn2)cc1	52409985	LEWBGIMCDAZMKS-UHFFFAOYSA-N	320.374	1.416	50	20	DDGD	
O=C(NNC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NC1CC1	8392198	ZWNZDOTVZLBKIY-UHFFFAOYSA-N	323.352	1.393	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)C1=COCCO1	53605133	KDIKNIAIFTYAGN-UHFFFAOYSA-N	312.325	1.418	50	20	DDGD	
O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1O	54148202	OYPQVXSQVYYSNG-UHFFFAOYSA-N	319.248	1.514	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)cc1)NNc1ccccc1F	178839557	RZWPRFOSRIVZSX-UHFFFAOYSA-N	305.284	1.838	50	20	DDGD	
CNC(=O)NNC(=O)C1(c2ccc(C)c(OC)c2)CCCC1	108261453	CBWQSBJPPVJLFI-UHFFFAOYSA-N	305.378	1.776	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1cc2ccccc2cc1O	106451945	FVKSTNKTXLEFKL-UHFFFAOYSA-N	310.313	1.272	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)NNc1cc(F)c(F)cc1F	115718090	ACZYWLZIIAQNTA-UHFFFAOYSA-N	324.324	1.618	50	20	DDGD	
CCOC(=O)c1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)o1	177610745	GSFCBNDNEAEEDR-YKWSONSWSA-N	318.329	1.658	50	20	DDGD	
N#CC(C#N)=CNCCc1ccc(OCC(=O)NC2CC2)cc1	55010621	XQSRBCOMFBWTQH-UHFFFAOYSA-N	310.357	1.407	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc3c(c2)OCCCO3)ncn1	172279576	NDLZTDKAEOOJDL-UHFFFAOYSA-N	300.318	1.703	50	20	DDGD	
N#Cc1cccc(NNC(=O)C(=O)Nc2ccc3c(c2)COC3)c1	119464669	BVLMQDIZKUDZGT-UHFFFAOYSA-N	322.324	1.670	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cccc(-n2cccn2)n1	178863910	QDWYCWSLPUQSQK-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
COc1ccccc1/C(C)=C/C(=O)NNC(=O)c1c[nH]nc1C	110760116	ZMULGIXOPHMKNN-CSKARUKUSA-N	314.345	1.591	50	20	DDGD	
Cc1cscc1C(=O)NNC(=O)COc1ccc(C#N)cc1	175719936	AUJHUQYMGSILSE-UHFFFAOYSA-N	315.354	1.768	50	20	DDGD	
CC(=O)NCCCNC(=O)NNc1ccc(Cl)c(F)c1	175297481	DEFVFNMHHVKVPT-UHFFFAOYSA-N	302.737	1.631	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H](C)OC[C@H]2CCCO2)cc1	68754968	PYGHFRKCQJYLEV-IUODEOHRSA-N	320.389	1.594	50	20	DDGD	
Cc1ccc(O[C@@H](C)CNC(=O)NNc2ncccn2)cc1	173225939	HJFHJPXXLJHAKX-LBPRGKRZSA-N	301.350	1.879	50	20	DDGD	
CC(C)(C)n1ncc2c(=O)[nH]c(NNC(=O)C3CCCC3)nc21	111053836	LJSZSMFHTCSFNB-UHFFFAOYSA-N	318.381	1.508	50	20	DDGD	
O=C(CCc1ccccn1)NNC(=O)c1c[nH]c2ccccc12	68785422	DFHILRCVYHCVEM-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
C[C@H]1Cc2ccccc2CN1CC(=O)NNC(=O)c1ccccc1	182351021	VOLRKKPGEVTJBW-AWEZNQCLSA-N	323.396	1.894	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc2cc(C)ccc2[nH]1	139598218	BMKBVZMLOUSUEF-UHFFFAOYSA-N	304.350	1.457	50	20	DDGD	
O=[N+]([O-])c1ccccc1N1CCN(S(=O)(=O)CCl)CC1	111000701	GFBPCGYSMSWROE-UHFFFAOYSA-N	319.770	1.243	50	20	DDGD	
CC(C)N1CC[C@@H](NC(=O)NNc2cccc([N+](=O)[O-])c2)C1=O	172235362	DXJHUYIHRLSIRJ-GFCCVEGCSA-N	321.337	1.230	50	20	DDGD	
Cc1cc(C)n2nc(C)c(C(=O)NNc3ncc(F)cn3)c2n1	123115507	UCKSORKEWNMWSG-UHFFFAOYSA-N	315.312	1.341	50	20	DDGD	
N#CCCCCNC(=O)NNC(=O)Cn1ccc2ccccc21	170923893	YEFWALODLFLBHQ-UHFFFAOYSA-N	313.361	1.666	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)Cc1cccnc1)c1ccccc1	171510251	FKZHESCJZLVEIJ-MRXNPFEDSA-N	313.357	1.549	50	20	DDGD	
COC[C@H](NC(=O)NNc1ccc(Cl)nn1)c1ccco1	175719238	ISHFHZHVJZFIIG-QMMMGPOBSA-N	311.729	1.737	50	20	DDGD	
O=C(NNc1cnccn1)[C@@H]1CCCCN1Cc1ccccc1	121779928	DGAXJDFMEXZMCK-HNNXBMFYSA-N	311.389	1.974	50	20	DDGD	
C/C(=C/c1cccc(Cl)c1)C(=O)NNC(=O)C(=O)NC1CC1	124389744	ZCLYYORVFRSKNW-CLFYSBASSA-N	321.764	1.169	50	20	DDGD	
Cc1noc(C2CC2)c1NC(=O)NNC(=O)Cc1ccncc1	129441887	DQQAMWOJYWAJSG-UHFFFAOYSA-N	315.333	1.651	50	20	DDGD	
CC(C)Cc1nnc(NC(=O)NNC(=O)c2cccn2C)s1	182866852	ZGPCURYRYMFYHE-UHFFFAOYSA-N	322.394	1.542	50	20	DDGD	
COc1cccc(NNC(=O)C[C@@H](O)c2cccc(F)c2)n1	183030600	SHMLGGFCEJNXPQ-GFCCVEGCSA-N	305.309	1.796	50	20	DDGD	
O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc[nH]1	120935707	POYBGDBHGSITJE-UHFFFAOYSA-N	315.301	1.768	50	20	DDGD	
CC(C)CC(=O)Nc1ccc(C(=O)NN(C)C(N)=O)cc1F	181089061	LUWSOLGNBHCXFJ-UHFFFAOYSA-N	310.329	1.466	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)c2cn(C)c3ccccc23)cn1	122402428	UJTVNTDIBLFSCU-UHFFFAOYSA-N	322.368	1.885	50	20	DDGD	
CC[C@@H](CC1CCCC1)C(=O)NNC(=O)C(=O)N1CCCC1	72572051	OWLTUTXQUFUALF-ZDUSSCGKSA-N	309.410	1.363	50	20	DDGD	
O=C(CO)NNC(=O)c1cc2sc3ccccc3c2s1	182742168	DQKCMVQFJYBPAF-UHFFFAOYSA-N	306.368	1.869	50	20	DDGD	
COc1cccc(NNC(=O)c2ccnc(-n3ccnc3)c2)n1	180686813	LMPUHYYACUEXSQ-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
Cc1cnccc1CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	188031128	YVPGIURAADDMQF-UHFFFAOYSA-N	314.301	1.302	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cccc(F)c1C#N	187817246	YSDCIDTYUXPMBG-UHFFFAOYSA-N	313.288	1.781	50	20	DDGD	
N#Cc1csc(C(=O)NNc2nc(-c3ccncc3)no2)c1	84283537	WAGLMLVWZGUEKE-UHFFFAOYSA-N	312.314	1.822	50	20	DDGD	
COc1c(F)ccc(F)c1C(=O)NNC(=O)c1ccncc1	132616442	JOTJXFGIFMPZJX-UHFFFAOYSA-N	307.256	1.443	50	20	DDGD	
CCNC(=O)C(C)(C)CNC(=O)NNc1cccc([N+](=O)[O-])c1	131253501	NUVZXLXLNASQGB-UHFFFAOYSA-N	323.353	1.383	50	20	DDGD	
O=Cc1ccccc1OCC(=O)NNc1nc2ccccn2n1	191910143	XIEBMOMNTHVOMP-UHFFFAOYSA-N	311.301	1.064	50	20	DDGD	
Cc1c([C@@H](C)NC(=O)NNc2nc3ccccn3n2)cnn1C	191126780	IPZYUZAWMXXXCM-SECBINFHSA-N	314.353	1.159	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1CCC(=O)C[C@H]1C	138245060	RCVAZKSXHIZWNB-BXUZGUMPSA-N	318.373	1.390	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)Cn1ccc2ccccc21	130068993	WNCRLYBMZTUKJT-CYBMUJFWSA-N	305.403	1.930	50	20	DDGD	
CC(=O)N/C(=C\c1ccccc1)C(=O)NNC(=O)C(C)(C)C	194510854	DUHNPZRRBRFHOV-RAXLEYEMSA-N	303.362	1.357	50	20	DDGD	
CC(=O)Nc1nc(C(=O)NNC(=O)c2ccc(C)o2)cs1	84373662	KKJAEWHEORJFKS-UHFFFAOYSA-N	308.319	1.078	50	20	DDGD	
Cc1noc(CCCC(=O)NNc2cc(C#N)cc(Cl)n2)n1	93545750	NHFMCTCNRGCTPC-UHFFFAOYSA-N	320.740	1.764	50	20	DDGD	
C[C@H]1CCCN(C(C)(C)CNC(=O)NNC(=O)C(C)(C)C)C1	97257349	YMOOLWGTUZGALH-LBPRGKRZSA-N	312.458	1.873	50	20	DDGD	
O=C(NNc1cnccn1)Nc1cnn(Cc2ccccc2)c1	92765026	MYYRKBLLNXESTI-UHFFFAOYSA-N	309.333	1.870	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cccc(Cl)n1	91821681	UQAHZIBYZUNLMR-UHFFFAOYSA-N	304.828	1.207	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H](C)CC(C)(C)OC	266828688	YOLAYGMVPCCIKS-LLVKDONJSA-N	323.393	1.843	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2c(C)nn(C)c2Cl)n1	266929925	NKGFCUVUMMAYIV-UHFFFAOYSA-N	310.745	1.246	50	20	DDGD	
CC[C@@H](OC)C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1	269088565	YFPBMRRITZFDKS-CYBMUJFWSA-N	320.324	1.402	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N(C)CC(C)(C)O)cc(C#N)n1C	268244022	VPQNIPQRYZGCNA-AWNIVKPZSA-N	300.362	1.341	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)NC2CCC2)cc1	265785960	LGQTUIWEYMFPEN-NSHDSACASA-N	321.377	1.736	50	20	DDGD	
O=C(NC[C@@H]1CCOC1)NNC(=O)c1cc2ccccc2o1	267315025	JAFBDKRVFISKCN-JTQLQIEISA-N	303.318	1.413	50	20	DDGD	
COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)NN)CC1	361905657	FGWCTCXHOWLECD-UHFFFAOYSA-N	311.769	1.191	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)NOC2CCCC2)c1	271911077	QJKMQQSYXLDZNX-UHFFFAOYSA-N	313.379	1.590	50	20	DDGD	
COCCOc1ccc(C(=O)NNC(=O)N(C)C)c(Cl)c1	274525275	XMUFSHCZIYBFJX-UHFFFAOYSA-N	315.757	1.281	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)C(C)(C)O)cc1OC	277135134	OWUYQKLYLKUFHF-UHFFFAOYSA-N	310.350	1.016	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CCO[C@H](C)C1	271848773	HETDTGDMVPCYJL-GRYCIOLGSA-N	324.352	1.556	50	20	DDGD	
C[C@H](C(=O)N1CC=C(C#N)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	272663867	IGYPKCIERGMMKO-BNOWGMLFSA-N	315.373	1.232	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)c1C	274246177	SURJGKPPGXPOQM-UHFFFAOYSA-N	307.350	1.798	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@H](NC(=O)NNC(=O)c2ccccc2C)C1(C)C	271759082	DIMPUXSFOJBTOY-FPMFFAJLSA-N	319.405	1.999	50	20	DDGD	
Cc1cccc(CN2CCCC[C@H]2C(=O)NN(C)C(N)=O)c1	378488235	NFGWORUFRNGISE-AWEZNQCLSA-N	304.394	1.391	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CC[C@@](O)(c2ccc(F)cc2)C1	371560067	LYBBBLFMHRCTEY-TYZQSYOASA-N	304.321	1.690	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(N(C)C)nc2ccccc12	286201944	DOAXYWZEBKRTJV-UHFFFAOYSA-N	302.334	1.644	50	20	DDGD	
COCc1cnc(NC(=O)NNc2nc(C)cc(C)n2)s1	287394697	BCMTVOOLODESAX-UHFFFAOYSA-N	308.367	1.845	50	20	DDGD	
Cc1ccccc1NCCC(=O)NNC(=O)NCC(F)(F)F	280869791	BQWLOZIXNWVMDF-UHFFFAOYSA-N	318.299	1.690	50	20	DDGD	
C[C@H]1CCCN([C@@H](C)CNC(=O)NNc2ncccc2F)C1	286743426	OOUKSTMMJQTBIR-RYUDHWBXSA-N	309.389	1.967	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cc2n(n1)CCCC2	288522380	UTOJBGVJPQOANU-UHFFFAOYSA-N	314.436	1.285	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1O[C@H](C)C[C@@H]1C	282792792	WQFXYFZPYIVFMD-BBGACYKPSA-N	324.352	1.554	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H]1CCC(=O)c2ccccc21	287899088	QWAIQZFMXOOWKJ-LBPRGKRZSA-N	312.329	1.689	50	20	DDGD	
CC1=C(C(=O)NNC(=O)OC(C)(C)C)[C@H](C)n2ncnc2N1C	281637329	ZVWHEKPLXMAILR-VIFPVBQESA-N	322.369	1.119	50	20	DDGD	
CCc1c(C(=O)NNC(=O)CNc2ccccc2)ccn1C	289309523	BDEGRNCRYUAVPF-UHFFFAOYSA-N	300.362	1.461	50	20	DDGD	
Cn1cncc1CCC(=O)NNc1cc(C(F)(F)F)ccn1	295303251	JOGJTPYTMRALEE-UHFFFAOYSA-N	313.283	1.910	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)c2cc(C#N)c[nH]2)cc1	802119808	ANSQDQWLNIJUHH-UHFFFAOYSA-N	312.333	1.419	50	20	DDGD	
O=C(CN1C(=O)COc2ccccc21)NNc1ncccc1F	804216366	SKGNWLSPYHQBGD-UHFFFAOYSA-N	316.292	1.089	50	20	DDGD	
O=C(NNC(=O)c1cc2n(n1)CCCO2)Nc1ccccc1	801990942	FHHVBFGTELCJBT-UHFFFAOYSA-N	301.306	1.132	50	20	DDGD	
Cn1nc(NC(=O)C(=O)NNc2cccc(F)c2)cc1C1CC1	291219353	HYBYNKUJHNXDNH-UHFFFAOYSA-N	317.324	1.518	50	20	DDGD	
CC(C)c1ccsc1C(=O)NNC(=O)N1CCN(C)CC1	807382475	IZANZHMDURDUSE-UHFFFAOYSA-N	310.423	1.473	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1cnn2ccccc12	805780566	MLXJUQXDZWMEQD-UHFFFAOYSA-N	303.366	1.601	50	20	DDGD	
CN1C[C@@H](C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])CC1=O	299072897	RMNZTVZKICQKAA-ZETCQYMHSA-N	312.713	1.170	50	20	DDGD	
O=C(C[C@@H]1CCCCO1)NNC(=O)Nc1ccc2c(c1)OCO2	802105728	CPHDCANBOFUWGY-NSHDSACASA-N	321.333	1.527	50	20	DDGD	
O=C(NC[C@@H]1COc2ccccc21)NNC(=O)[C@@H]1CCCCO1	297050124	KWWCMMUNIFCJPW-RISCZKNCSA-N	319.361	1.062	50	20	DDGD	
Cc1cc(Cl)ncc1NC(=O)C(=O)NNc1cccc(F)n1	807391197	JRIGXYNHXNVASS-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)[C@H]1CCCc2c(O)cccc21	295250651	ADWWPIFYKLYCNL-DZGCQCFKSA-N	318.373	1.529	50	20	DDGD	
Cc1cc(Cl)cnc1NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	297473808	SIINEZDCRGMZFW-WPRPVWTQSA-N	312.757	1.764	50	20	DDGD	
CN(CC(=O)NNC(=O)CC1CC1)C(=O)OCc1ccccc1	294139645	LPOAJKIJUZQZNP-UHFFFAOYSA-N	319.361	1.203	50	20	DDGD	
COc1ccc(OCCCNC(=O)NNC(=O)CC(C)C)cc1	299164960	XYFBALXQIJRLCR-UHFFFAOYSA-N	323.393	1.841	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)OCC(C)C)cc1	801107151	NQYYYUFVYYVTEJ-LBPRGKRZSA-N	321.377	1.142	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@H](C)CN(C)C(C)C	811954545	UWTOMSRBFAIWLN-CQSZACIVSA-N	320.437	1.597	50	20	DDGD	
COC(=O)[C@H]1C[C@H]2CC(=NNC(=O)CNc3ccccc3)[C@H]1C2	817322216	NLDLRLYDHVHTCE-UBHSHLNASA-N	315.373	1.790	50	20	DDGD	
CO[C@@H]1CCC[C@H](C(=O)NNC(=O)COc2ccc(F)cc2)C1	814365173	AQCYWAFVDPYSSD-SMDDNHRTSA-N	324.352	1.557	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@@H]1C[C@H](c2ccccc2)OC1=O	811526040	PDAGQQLYFWDXBS-NWDGAFQWSA-N	315.304	1.968	50	20	DDGD	
CCOCC(=O)NN=C(C)c1nnn(-c2ccc(C)cc2)c1C	814843017	JMENKUFOVVTQFQ-UHFFFAOYSA-N	315.377	1.761	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2cncn2C(C)C)cc1	819803634	UHRMWQALBAHTHH-UHFFFAOYSA-N	313.361	1.861	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C[C@H](C)n2cccn2)c1	819005240	ZDFQHRLJTUBMDH-ZDUSSCGKSA-N	316.361	1.369	50	20	DDGD	
Cn1nncc1NNC(=O)c1cccc(OC[C@@H]2CCCO2)c1	816771563	RJRQSQMZTNMBGS-ZDUSSCGKSA-N	317.349	1.130	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cc2c(cc1Cl)OCCO2	729918339	HWKKULULRKTSDV-UHFFFAOYSA-N	313.741	1.920	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1sc(-c2cccnc2)nc1C	727647951	PHJYMGZKIUOHDK-UHFFFAOYSA-N	317.418	1.915	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2CCC[C@H]2C)cc1OC	729507900	LBEILARDKNRQHR-ZYHUDNBSSA-N	321.377	1.836	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Cc2ccc3c(c2)OCO3)c1	728825900	VFYFHBBBPAGZPK-UHFFFAOYSA-N	323.308	1.291	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NCCCCC(=O)O	821125591	QNSYEHSNGBLYNS-UHFFFAOYSA-N	307.350	1.123	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1nccn1-c1ccccc1	491162969	UWRSQUAZRSDBGF-OWBHPGMISA-N	310.357	1.932	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H](C)N(C(=O)OC(C)(C)C)C1CC1	497272540	RJRIASRVMXWWCI-SECBINFHSA-N	315.370	1.552	50	20	DDGD	
CC[C@@H](CC(F)(F)F)C(=O)NNc1ncnc2[nH]cnc12	825954005	KAZXGCDCPYTHDX-LURJTMIESA-N	302.260	1.775	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(N)c(OC(F)(F)F)c1	823921805	BVSASCQHMXOLDE-SSDOTTSWSA-N	307.272	1.125	50	20	DDGD	
Cc1cc(C#N)ccc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	826257264	VKEDJVRUHIYYJN-UHFFFAOYSA-N	319.328	1.804	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cccc(N2CCCC2)c1	829566750	WFNFCQQCAKFYIS-UHFFFAOYSA-N	324.384	1.686	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCCCCNC(=O)OC(C)(C)C	494975428	ZROGCORMFVHNKJ-UHFFFAOYSA-N	316.402	1.278	50	20	DDGD	
CC(C)C(=O)NCCCNC(=O)/C(C#N)=C/c1ccc(O)cc1	491087902	YBTNUBKSIMZHHB-GXDHUFHOSA-N	315.373	1.578	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NN=c2sc3ccccc3n2C)CO1	827607949	UKKOGFYWFLTTLQ-VHSXEESVSA-N	306.391	1.532	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C/c1ccccc1OCC(=O)N(C)C	490610785	LXGRBQRJWHPHDU-GXDHUFHOSA-N	313.357	1.363	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC(Cc2cccnc2)CC1	828610567	MKEGWNIJUMXIKV-UHFFFAOYSA-N	318.421	1.140	50	20	DDGD	
COC(=O)NN=C(C)c1ccc(OCC(=O)N2CCCC2)cc1	490579135	OHWDMPZIRXTLHH-UHFFFAOYSA-N	319.361	1.768	50	20	DDGD	
C[C@@]1(C(=O)N2CCC(O)(C(F)F)CC2)C[C@@H]1Br	907543328	DFZTVYGGXLBOQK-OIBJUYFYSA-N	312.154	1.779	50	20	DDGD	
CCN(CC)C(=O)CN(C)C(=O)[C@]1(C)C[C@H]1Br	905348924	GJASQMFKWITSJT-BXKDBHETSA-N	305.216	1.487	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)/C=C\c2scnc2C)n1	491958595	DAZLJPYXDAXBJS-SREVYHEPSA-N	302.359	1.629	50	20	DDGD	
CC(C)N(CCC(=O)NNC(=O)C1CC1)C(=O)OC(C)(C)C	491097859	FQJWWKYFPCCAHW-UHFFFAOYSA-N	313.398	1.579	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)NNc1ccccn1)C2	496754929	FSWHRYCTHOYSBM-TUAOUCFPSA-N	302.334	1.168	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)C(O)(c1ccccc1)c1ccccc1	823946947	QCBJUXQAALUVFA-AWEZNQCLSA-N	314.385	1.266	50	20	DDGD	
CC(C)c1ocnc1C(=O)NNC(=O)c1ccc(Cl)nc1	732058757	XDJZBEXMULPKPV-UHFFFAOYSA-N	308.725	1.921	50	20	DDGD	
COc1cc(C=NNC(=O)CNC(=O)OC(C)(C)C)sn1	497243729	MNQJEYNTPBZGHP-UHFFFAOYSA-N	314.367	1.127	50	20	DDGD	
CCC(=O)N1CCC(=NNC(=O)Cc2ccccc2F)CC1	731322016	VPPZAMLFZGDNPM-UHFFFAOYSA-N	305.353	1.873	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2CCN3CCCC[C@@H]23)C[C@H]1Br	906198937	LOLQTRKKKYZEDT-XZUYRWCXSA-N	301.228	1.903	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H](O)c1ccccc1C(F)(F)F	900386014	IRGMDWBUJDJDDU-VIFPVBQESA-N	305.256	1.089	50	20	DDGD	
C[C@@]1(C(=O)Nc2ccc(-n3nccn3)nc2)C[C@@H]1Br	820102866	HBRFRXJDMJWDQJ-JOYOIKCWSA-N	322.166	1.774	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1c(C)c(C)cc(C)c1C	496819664	MXRBWMABAVIBFD-UHFFFAOYSA-N	300.380	1.812	50	20	DDGD	
O=C(Cn1ccccc1=O)NNc1ccc(Br)nc1	732838027	FVSROKHHGMJDOP-UHFFFAOYSA-N	323.150	1.149	50	20	DDGD	
CC(C[C@H](C)NC(=O)OC(C)(C)C)=NNC(=O)C(C)(C)O	492635034	NSJDRNCJWNDOBN-VIFPVBQESA-N	301.387	1.553	50	20	DDGD	
Cc1cccn2cc(CC(=O)NNC(=O)OC(C)(C)C)nc12	491066341	VXIIEUTXJPZSEU-UHFFFAOYSA-N	304.350	1.741	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCCCN2C)cc1	732257999	DFWGANCDQZUCLX-CQSZACIVSA-N	305.378	1.006	50	20	DDGD	
CN1CCCC[C@@H]1C(=O)NNc1nc(-c2cccnc2)no1	732285021	NTCRBJXRABNHRL-LLVKDONJSA-N	302.338	1.059	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NC[C@@H]1CCCC1(C)C	838625070	PKCCYDZYTNEMHE-NEPJUHHUSA-N	315.414	1.195	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C	495959130	ZAFJEPIWVMLSBG-VHSXEESVSA-N	316.402	1.275	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1ccc(C(F)(F)F)cn1	905492948	PMLRLXJKSMEAGC-UHFFFAOYSA-N	319.283	1.604	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc2ccn(C)c2c1	831495745	DGQVVGXSODETJJ-GXFFZTMASA-N	316.361	1.756	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1cnn(-c2ccccn2)c1	495449688	ZBBOUALJMZHVME-UHFFFAOYSA-N	318.337	1.829	50	20	DDGD	
COc1cc2c(cc1OC)C(=NNC(=O)c1ncon1)CC2	901289598	IRCPIYZNSOXBHA-UHFFFAOYSA-N	302.290	1.167	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)NC[C@@H]1CCCC1(C)C	838625290	PKCCYDZYTNEMHE-RYUDHWBXSA-N	315.414	1.195	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@H]2C[C@H]2C(=O)O)c1	738602957	GZAHHOLNOSGSHV-JGVFFNPUSA-N	311.338	1.172	50	20	DDGD	
CN(CCNC(=O)NNc1cccc(C#N)c1)CC(F)(F)F	732703997	OKOVYSLSTJYUTQ-UHFFFAOYSA-N	315.299	1.678	50	20	DDGD	
CCC(CC)NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1cnn(C)c1	837968888	HIXNGYDECAGNST-HKMIMPICSA-N	318.377	1.564	50	20	DDGD	
CC(C)(C)C(=O)NCCC(=O)NNc1ccccc1C(=O)O	833421943	NNJPRXDVPFQDGS-UHFFFAOYSA-N	307.350	1.380	50	20	DDGD	
CN(C)c1ccc(C(=O)O)cc1C=NNC(=O)NCC1CC1	901176382	JUJVCUPVPDUWCW-UHFFFAOYSA-N	304.350	1.494	50	20	DDGD	
CC(C)(C)c1n[nH]c(CNC(=O)NNc2cncc(Cl)n2)n1	838757108	UZNNXVWMEJBOPE-UHFFFAOYSA-N	324.776	1.372	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@@H](O)C1CC1	834583905	IDVOCJNMTCAWPU-UFBFGSQYSA-N	312.753	1.026	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccccc1O)c1cccc(O)c1	732889403	OFDIEBRVBAWMHW-SNVBAGLBSA-N	315.329	1.803	50	20	DDGD	
C[C@]1(C(=O)NC[C@H]2CCCCS2(=O)=O)C[C@@H]1Br	907320863	MOJKIOJMGCBFPT-YWVKMMECSA-N	324.240	1.243	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1nc(Br)cs1	834972607	MYVVKFMUTOYLHW-UHFFFAOYSA-N	306.185	1.517	50	20	DDGD	
COc1ccc(/C=C/C(=O)N2CC[C@@H](B(O)O)C2)cc1Cl	585069134	LIECIGDNGOTMCK-JOAKQRRISA-N	309.558	1.437	50	20	DDGD	
CN(C)c1ccc2c(c1)NC(=O)C2=NNC(=O)[C@@H]1CCCCO1	834986421	NZKUWTJRFXYCFH-ZDUSSCGKSA-N	316.361	1.094	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1ccc(OC2CC2)cc1	831477600	HHEWTJXPKVOKJO-UHFFFAOYSA-N	300.336	1.119	50	20	DDGD	
Cc1cc([C@H]2CCCN2[C@@H](C)C(=O)NNC(=O)CC(C)C)no1	732196643	MFNCYORJBBRRDS-GXTWGEPZSA-N	322.409	1.702	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)[C@H](C)NS(C)(=O)=O	836935283	WEXDDFUVXYVADC-QMMMGPOBSA-N	305.787	1.029	50	20	DDGD	
CCOCCCNC(=O)NN=c1sc2ccccc2n1C	915888681	MBNZOKSBXKEYTL-UHFFFAOYSA-N	308.407	1.781	50	20	DDGD	
O=C1NCC[C@@H]1C(=O)NNc1ccc(Br)cc1F	830782450	UCLXGRBDJVGGIB-ZETCQYMHSA-N	316.130	1.167	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(OC(F)F)cn1	836654917	XGXGLBAOVWNMSB-ZETCQYMHSA-N	302.281	1.882	50	20	DDGD	
CCCCCCO[C@H](C)C(=O)NNc1ncnc2[nH]cnc12	839684887	CPIAAOPZUBCOII-SNVBAGLBSA-N	306.370	1.781	50	20	DDGD	
CC(C)[C@H](NC1CCOCC1)C(=O)NNc1cccc(C#N)c1	749260998	XFAPFJSCVSZWQI-INIZCTEOSA-N	316.405	1.795	50	20	DDGD	
C[C@H]1[C@@H](CO)CCCN1C(=O)NNC(=O)c1cccc(C#N)c1	841577790	FZQQBHHASFSOAW-SMDDNHRTSA-N	316.361	1.005	50	20	DDGD	
C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)NN)cc2)C1	841016204	GAXADZYYZRDWCU-JTQLQIEISA-N	312.395	1.102	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)CO1	842526640	DBCFNEBHPKJKDB-SECBINFHSA-N	311.363	1.376	50	20	DDGD	
CCc1cccc2c1NC(=O)C2=NNC(=O)[C@H](C)OCCOC	748253543	OWNGODPUFYEGAX-JTQLQIEISA-N	319.361	1.073	50	20	DDGD	
CN(C)S(=O)(=O)c1cccc(C(=O)NN=Cc2ccc[nH]2)c1	916305734	QTGZDNRFXVXJMP-UHFFFAOYSA-N	320.374	1.029	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@@H]1CC[C@H](CN)C1)c1ccccc1	842010220	HVWCJQZASNNIGN-CFVMTHIKSA-N	318.421	1.638	50	20	DDGD	
COc1ccc(OC)c(C(=O)NNC(=O)NC2CCCCC2)c1	916559612	UJOWVBLTAJOWKO-UHFFFAOYSA-N	321.377	1.981	50	20	DDGD	
COc1ncccc1C(=O)NNC(=O)c1ccc(Cl)cc1O	918359298	UVIAIOWRQWUIKZ-UHFFFAOYSA-N	321.720	1.524	50	20	DDGD	
COc1cc(OC)c(NC(=O)NNC=C(C#N)C#N)cc1Cl	742025588	IIRKITIYWJZJCF-UHFFFAOYSA-N	321.724	1.914	50	20	DDGD	
CCCNC(=O)NNC(=O)Cc1ccc2c(c1)OC(F)(F)O2	845302399	SYNRHGKIKBTPFB-UHFFFAOYSA-N	315.276	1.291	50	20	DDGD	
CCOC[C@@H]1CN(C(=O)[C@]2(C)C[C@H]2Br)CCO1	913150321	SGOMWGYSKTWPIV-HOSYDEDBSA-N	306.200	1.424	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NNc1cc(O)nc2ncccc12	913987894	DXLMGHLTJBTGHE-LBPRGKRZSA-N	315.377	1.651	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=S)NC2(C)CCC2)cc1	840703885	KOUSJLZGDHYSDT-UHFFFAOYSA-N	320.418	1.371	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)CC(F)(F)F)cc1	918365072	XVJUZAOUQWVSBD-UHFFFAOYSA-N	304.224	1.187	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(-c2cncnc2)cc1F	910160871	PFLQSJJJUPELNP-JTQLQIEISA-N	304.325	1.240	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNC(=O)Cn1cnc2ccccc21	841376713	XOMGOJJYNMJDQP-CQSZACIVSA-N	318.377	1.245	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H]2CCCNCC2)cc1	841979889	YXSZIWMQUWAZFV-AWEZNQCLSA-N	304.394	1.335	50	20	DDGD	
Cn1cccc1C(=O)NN=Cc1ccc(OCCC(=O)O)cc1	915957375	VTKUFFWAANCSSP-UHFFFAOYSA-N	315.329	1.643	50	20	DDGD	
CC(=NNC(=O)C(=O)NC(C)C)c1c(C)nn(C(C)C)c1C	746489015	PHMMFUKRVSUTEE-UHFFFAOYSA-N	307.398	1.446	50	20	DDGD	
O=C(CCOCC(F)F)NNc1cc(O)nc2ncccc12	913990750	WKVJOKMMUDIKNQ-UHFFFAOYSA-N	312.276	1.450	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cc(Cl)c2c(c1)OCO2	842553325	FCXBKXGFUKLOGN-WCBMZHEXSA-N	310.737	1.944	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@@H]1CCCN2CCCC[C@@H]12	847442935	PCRKZMYDLMWNHJ-MNOVXSKESA-N	324.816	1.773	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2ccccc2Cn2cncn2)c1	748049920	NZJYLXOJJGVUTQ-UHFFFAOYSA-N	318.340	1.955	50	20	DDGD	
COC[C@](C)(O)C(=O)NNc1ccc(Br)cc1C	748753883	ACZYXRGPMLXCAJ-LBPRGKRZSA-N	317.183	1.598	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccc3nnc(C)n3c2)cc1	749718486	DOIUGHPPRTURNX-UHFFFAOYSA-N	323.356	1.675	50	20	DDGD	
CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cccc(C)c1	920382515	YVTAKBNUXSOFCI-CYBMUJFWSA-N	309.391	1.205	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1(c2ccccc2)CCC1	843641718	HLQFDHSSSJUFHS-GXTWGEPZSA-N	302.374	1.681	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)CCN1	846669155	UMFFIGHUTJOYKB-MPPDQPJWSA-N	301.228	1.760	50	20	DDGD	
O=C(Cc1ccc2c(c1)OC(F)(F)O2)NNC(=O)CC1CC1	846229172	XHNJQDOKSVIXQF-UHFFFAOYSA-N	312.272	1.498	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1nccn2ccnc12)c1ccccc1	743349917	VZSRJQUMSPRFRS-ZDUSSCGKSA-N	323.356	1.684	50	20	DDGD	
CC[C@H](OC1CCCCC1)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843653196	MQDFEHZKOMCHJT-BNOWGMLFSA-N	312.410	1.687	50	20	DDGD	
O=C(NNC(=S)Nc1ccc2c(c1)OCO2)[C@H]1CCCCO1	840775019	OWKWHDNUJMNKAP-LLVKDONJSA-N	323.374	1.302	50	20	DDGD	
COc1ccccc1CC(=O)NN=C1CN(C2CC2)C[C@H]1C	755890547	MSZPEQWQVFEFTB-GFCCVEGCSA-N	301.390	1.824	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(C)c(OC(F)F)c1	756574126	OQVGXFVUPOSCHE-UHFFFAOYSA-N	317.292	1.786	50	20	DDGD	
O=C1C[C@H](CNC(=O)NNc2ccc(Cl)cc2F)CN1	922868698	YOLAXDIQVGIAOB-ZETCQYMHSA-N	300.721	1.241	50	20	DDGD	
CCOCCNC(=S)NNC(=O)c1ccc2ccccc2n1	750975774	RTZRAWWOIZDNFC-UHFFFAOYSA-N	318.402	1.380	50	20	DDGD	
N#CSCCCNC(=O)[C@H]1CCCN1C(=O)C(F)(F)F	854361571	ZTLQNYNACDJKKX-MRVPVSSYSA-N	309.313	1.260	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C(C)(C)c2ccccc2)nn1C	757755253	ZNTDSIKOFFBQLO-UHFFFAOYSA-N	315.377	1.859	50	20	DDGD	
CCOc1ccc(C(=O)NN(C)C(=S)NC)cc1[N+](=O)[O-]	854928400	XNNWTEQDTSDQQD-UHFFFAOYSA-N	312.351	1.074	50	20	DDGD	
CC(C)(C)n1cnc(C(=O)NNC(=O)c2cccc(Cl)n2)n1	857324564	JCPSYPYSMBNIOS-UHFFFAOYSA-N	322.756	1.156	50	20	DDGD	
COC(=O)CCC(C)=NNC(=O)[C@@H]1COc2ccccc2O1	756869849	ANTIHPSFRXZVNX-ZDUSSCGKSA-N	306.318	1.272	50	20	DDGD	
CCCn1ccnc1CCCN(C)[C@H](C)C(=O)NNC(=O)CC	759759498	DSFZIJMOTJDAFH-CYBMUJFWSA-N	323.441	1.103	50	20	DDGD	
COCCCNC(=O)NN=Cc1cc2c(cc1OC)C[C@@H](C)O2	920830483	YADGFTSWRRIPTH-LLVKDONJSA-N	321.377	1.688	50	20	DDGD	
COc1ccc2c(c1)CCN(C(=O)/C(C#N)=C/c1cnn(C)c1)C2	855852426	ZKWGUOMGICIPPE-FRKPEAEDSA-N	322.368	1.921	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](C(=O)O)C2CCCC2)n1	852947453	KBIHFCDXLJEKDU-NSHDSACASA-N	308.338	1.128	50	20	DDGD	
CC[C@](O)(C(=O)NNc1ccncn1)c1cccc(Cl)c1	857521225	DGTUIFNMHWWYFI-CQSZACIVSA-N	306.753	1.871	50	20	DDGD	
CC(C[C@@H]1CCOC1)=NNC(=O)COc1ccc(C#N)cc1	751515757	DGAQEOVWZYTDRL-AWEZNQCLSA-N	301.346	1.856	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)N2CCC3(CCCCC3)CC2)N1	858697436	PSSSCMHSGNMLSY-GFCCVEGCSA-N	322.409	1.052	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CCn3cncc3C2)C[C@H]1Br	857395491	SEIOXWKAMIVCBV-IRUJWGPZSA-N	312.211	1.735	50	20	DDGD	
C[C@H](OC[C@H]1CCCCO1)C(=O)NNc1ncc(Cl)cn1	857355340	AKSJBOGRIIQROX-GXSJLCMTSA-N	314.773	1.547	50	20	DDGD	
Cc1cccc2c1NC(=O)C2=NNC(=O)OCC(F)(F)F	853432388	WRNQCNMXIHEJLU-UHFFFAOYSA-N	301.224	1.940	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NC[C@]1(C)C[C@@H]1Br	857400702	CDRRCFBTWXPOOS-CABZTGNLSA-N	300.200	1.940	50	20	DDGD	
COC(=O)C1(CNC(=O)NC[C@@]2(C)C[C@H]2Br)CC1	856849965	UGDCTBNYYZLIEZ-LDYMZIIASA-N	319.199	1.412	50	20	DDGD	
CC(C)OCCONC(=O)NC[C@@]1(C)C[C@H]1Br	856860929	YRRMYBZBUDDEJI-MWLCHTKSSA-N	309.204	1.816	50	20	DDGD	
Cc1cc(CNC(=O)NNc2ncnc3ccsc23)ncn1	757047782	FOAGFGRSCZKQJS-UHFFFAOYSA-N	315.362	1.616	50	20	DDGD	
O=C(Cc1ccc(O)cc1)NNC(=O)c1cc2c(s1)CCC2	751205959	SKIGJNVBTUAJNT-UHFFFAOYSA-N	316.382	1.946	50	20	DDGD	
O=C(NNC(=O)N1CCC([C@H]2CCCO2)CC1)C1CCCC1	753346061	VAYLFWDDXQHEJP-CQSZACIVSA-N	309.410	1.808	50	20	DDGD	
CC(C)C[C@@H]1C(=O)NCCN1CCI	759509845	JGCJAYYFERTAEV-SECBINFHSA-N	310.179	1.268	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCC1CC(C)C1	856907469	XZNFLIJNHYZGRK-UHFFFAOYSA-N	305.378	1.614	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCCOC(F)F)c1	858430923	JSGOHCKVOOONEH-UHFFFAOYSA-N	307.322	1.630	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)[C@H]1COCCN1C1CCCC1	855465231	KNCWRSNZNZYIHP-CYBMUJFWSA-N	324.812	1.822	50	20	DDGD	
O=C(NNc1ccc(F)cc1)N[C@H]1CCCS(=O)(=O)C1	758653341	ZEVLXEGHEUKKNO-NSHDSACASA-N	301.343	1.029	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C(C)(C)OC(C)=O)c1C	855625441	QZHIWEAQPXYCOL-UHFFFAOYSA-N	308.334	1.566	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)C1CCN(CC(F)F)CC1	857357889	HJRRJQVRLHTEEH-UHFFFAOYSA-N	319.743	1.550	50	20	DDGD	
C[C@@]1(CNC(=O)c2cnn3c2OCCC3)C[C@@H]1Br	857389128	YRYNUPKPZJEXFK-CABZTGNLSA-N	314.183	1.569	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)CC(=O)NCC(F)(F)F	855369652	SYUDTYFSEBCZED-UHFFFAOYSA-N	307.247	1.646	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cnc2n1CCC2	854457507	IBEUQJJVUVQUSL-UHFFFAOYSA-N	301.306	1.803	50	20	DDGD	
Cc1noc(CCC(=O)NC[C@@]2(C)C[C@@H]2Br)n1	857401658	GKSGKFDJGRMYQV-GZMMTYOYSA-N	302.172	1.600	50	20	DDGD	
COc1c(C)ccc(NC(=O)NNC(=O)c2c[nH]nc2C)c1C	755715313	BVPMKADORZJCJU-UHFFFAOYSA-N	317.349	1.810	50	20	DDGD	
CC(=O)Nc1ccc(O)c(C(=O)NN[C@H](C)C(F)(F)F)c1	862314976	NXAHUDIAIGPRBZ-ZCFIWIBFSA-N	305.256	1.536	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1nn(C)c2ccccc12	934438295	NYXARGJPIQDXGD-NXEZZACHSA-N	317.349	1.151	50	20	DDGD	
Cc1cccc(CO[C@H](C)C(=O)NNC(=O)[C@@H]2CCCCO2)c1	868619534	OIPYZHULZNMYCZ-HIFRSBDPSA-N	320.389	1.617	50	20	DDGD	
Cn1cc(N2C[C@H](C(=O)NCC(Cl)Cl)CCC2=O)cn1	935968157	OAMMHRVXNGKAEX-MRVPVSSYSA-N	319.192	1.083	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNC(=O)c2ccccc2C)n1	864530724	KZPSBXSTGMZLLP-GFCCVEGCSA-N	300.362	1.597	50	20	DDGD	
C#CCC(C)(C)C(=O)OCC(=O)NNC(=O)c1ccccc1	767644010	LRUDJMUXQOEPEM-UHFFFAOYSA-N	302.330	1.040	50	20	DDGD	
C[C@H](C=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1)CCC#N	766003197	SMCSFBINSDVGLJ-LJISPDSOSA-N	308.426	1.774	50	20	DDGD	
CN(NC(=O)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1)C1CC1	862037616	LXPQADVPVRAXKS-VIFPVBQESA-N	309.316	1.443	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cnc(O)n1C)c1ccccc1	865692254	CGOINOLBKXLIOM-NSHDSACASA-N	302.334	1.081	50	20	DDGD	
COCCOCc1ccc(NCc2cccc(B(O)O)c2)cc1	863892281	RGFBIHNTSLUTNK-UHFFFAOYSA-N	315.178	1.142	50	20	DDGD	
CN(C)c1nc2cc(NCc3ccccc3B(O)O)ccc2o1	864029287	IGEZGSVNWOKDBP-UHFFFAOYSA-N	311.150	1.186	50	20	DDGD	
C[C@H]1CC(=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC[C@H]1C	767370722	MAEIXXXPKOKOAB-JFGNBEQYSA-N	301.412	1.285	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC(C)(C)C)n(C2CCOCC2)n1	863866229	BVSZBNPJZHAKLH-UHFFFAOYSA-N	322.409	1.740	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cnc(-c2cccnc2)s1	761388634	GOBBUDGFVUUZHN-UHFFFAOYSA-N	305.363	1.559	50	20	DDGD	
CC[C@@H](C)[C@@H](C(=O)NNC(=O)COCCOC)c1ccccc1	869909656	FBNLBFTUPMSIOO-CZUORRHYSA-N	322.405	1.627	50	20	DDGD	
COc1ccc(CCC=NNC(=O)CS(C)(=O)=O)c(C)c1	863187026	VEOLWILWLCBQIS-UHFFFAOYSA-N	312.391	1.083	50	20	DDGD	
CC(C)C(=O)N1CCCC[C@@H]1C(=O)NN[C@H](C)C(F)(F)F	862308614	BYSGDBYHNVICDH-NXEZZACHSA-N	309.332	1.595	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H]2CCCN(CC(F)F)C2)n1	864690304	MTPVOIPIOKMVBC-NSHDSACASA-N	313.352	1.514	50	20	DDGD	
CC(=O)N1CC[C@@](C)(C(=O)NNCC(F)(F)C(F)(F)F)C1	863096706	SEJOFFYAGSEOEB-SECBINFHSA-N	317.258	1.063	50	20	DDGD	
COc1ccc2[nH]c(C)c(C(=O)NNC(=O)C(C)(C)O)c2c1	1116801729	LBYCNTKSLFYBRE-UHFFFAOYSA-N	305.334	1.017	50	20	DDGD	
O=C(Cn1nc(C(F)F)cc1C1CC1)NNc1ncccn1	873959118	FGLKNKSTLIYCRR-UHFFFAOYSA-N	308.292	1.631	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1c(F)cccc1Cl	872400787	RMPKPMPHEPSPTA-UHFFFAOYSA-N	302.733	1.982	50	20	DDGD	
Cc1ccc(NC(=O)CCl)c(C)c1S(=O)(=O)NC1CC1	1116439238	OLUVMUWEMRVWJS-UHFFFAOYSA-N	316.810	1.921	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@]2(C)CCNC2=O)cc1	873793806	HDMAJQCIBAJLSJ-QGZVFWFLSA-N	317.389	1.271	50	20	DDGD	
CCC[C@H]1C[C@H](C(=O)NNC(=S)NC(C)(C)C)CCO1	779874303	XUGXHNTWXOGXIF-MNOVXSKESA-N	301.456	1.876	50	20	DDGD	
O=C(CCN1CCCCCC1)NN=Cc1cnc2[nH]cncc1-2	872335883	ZIMTVSRJUHWGCS-UHFFFAOYSA-N	314.393	1.626	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1nn(C)cc1Br	879965710	RITOYSACFHICPU-UHFFFAOYSA-N	318.175	1.381	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cccc3nccn23)cc1	770643838	IZSROYNVWBCLQY-UHFFFAOYSA-N	323.356	1.516	50	20	DDGD	
CC1(NC(=S)NNC(=O)c2nc3ccccc3s2)CC1	871691380	SXOVBIDELNGKJT-UHFFFAOYSA-N	306.416	1.958	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)[nH]1	1118789507	PARGQJSFKYUSRR-UHFFFAOYSA-N	322.409	1.335	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(Cc2ccc(O)cc2)CC1	870133653	CQTQJHXHEDSWMV-SQFISAMPSA-N	315.373	1.480	50	20	DDGD	
CC(CCn1cccn1)=NNC(=O)COc1ccccc1C#N	776760193	NLFAYUNJWQOBRF-UHFFFAOYSA-N	311.345	1.716	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)CNC(=O)c1ccc(O)cc1	771744702	LWEGUAXGPWVKSS-UHFFFAOYSA-N	317.320	1.713	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@]2(CCSC2)C1)c1cccnn1	883852985	ZNMJEHXVZGMUSV-AWEZNQCLSA-N	321.406	1.050	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)c2nnnn2C)cc1	787573707	AILJNROHGASYFE-MJWAUXSNSA-N	313.317	1.430	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCN2C2CC2)cc1O	882050154	PRIKTDOUMWHHKZ-ZDUSSCGKSA-N	303.362	1.088	50	20	DDGD	
CN1CCc2cc(C(=O)NNc3ncncc3Cl)ccc21	781833477	KAYFPMZLEOJDJX-UHFFFAOYSA-N	303.753	1.879	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1cccc(F)c1F	788175390	SISJLTLTJLIATF-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
Cc1c[nH]cc(C(=O)NNc2ccc(C(F)(F)F)nn2)c1=O	781431799	UUGHFVGIUJLVNA-UHFFFAOYSA-N	313.239	1.249	50	20	DDGD	
COc1ccc(COCCC(=O)NN=c2cc[nH]cc2)cc1	780761059	LWFZRIWPFYFBBE-UHFFFAOYSA-N	301.346	1.562	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2nnc(C3CC3)o2)cc1	899946539	DKLAKVNGXMUWDW-UHFFFAOYSA-N	300.318	1.584	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)[C@@H]1COc2ccc(O)cc2O1	896032688	GZULTWOOFYYSMW-AWEZNQCLSA-N	320.345	1.260	50	20	DDGD	
O=C(CSCC(=O)OC1CCCCC1)NNC(=O)C1CC1	783496858	NUMKJTPYXYQKNW-UHFFFAOYSA-N	314.407	1.153	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2cc(Cl)cc3c2OCC3)cn1	782902659	IODJTKOBJCIQPE-UHFFFAOYSA-N	304.737	1.772	50	20	DDGD	
COc1ncc(C)cc1NC(=O)C(=O)NNc1cc(C)ccn1	783929675	ZAYLHBUJKJXZGY-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)Sc1nccn2ccnc12	788509684	WRHUIBJLXKJDCC-JTQLQIEISA-N	321.406	1.403	50	20	DDGD	
COC(=O)C1(CNC(=O)NNC(=O)C(C)(C)C)CCCCC1	784307582	IFJDDBXFLUVZBK-UHFFFAOYSA-N	313.398	1.486	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cccc2nccnc12	899996545	XQORHGFNXVRFLK-UHFFFAOYSA-N	303.391	1.537	50	20	DDGD	
Cc1[nH]nc2ncc(C(=O)NNc3ncncc3Cl)cc12	781833109	FUQUHNYHOURRPY-UHFFFAOYSA-N	303.713	1.467	50	20	DDGD	
C[C@H]1CC[C@@H](C(F)(F)F)CN1CC(=O)NNC(=O)C(C)(C)C	780379834	PAYXUJJREZYHOK-VHSXEESVSA-N	323.359	1.843	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCc2ncsc2C1	782633429	HPPUSWMEZTVTFP-SNVBAGLBSA-N	310.423	1.083	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1CCc2cc(O)ccc21	780210460	UPQNGBZAHUOLRA-UHFFFAOYSA-N	302.359	1.820	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cccc(C#N)c1)[C@H]1CCCOC1	780004683	BBERITOQGQXWKK-FZMZJTMJSA-N	316.361	1.317	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2n[nH]c3c2CCCC3)c1	780791927	RAFZWVZVRSYUEP-UHFFFAOYSA-N	314.345	1.832	50	20	DDGD	
C[C@@H]1COCCC1=NNC(=O)Cc1nc2ccccc2n1C	794470242	GGZKKMJVSCMCRV-LLVKDONJSA-N	300.362	1.644	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CCC(F)(F)C2)n1	794891580	GSUYTLWNRQZWNE-SNVBAGLBSA-N	300.309	1.083	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(=O)N2CCCC2)c(C)cc1Cl	793305566	RSDGQKCIRVOLAW-UHFFFAOYSA-N	323.780	1.340	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(C)c(Br)n1	794355414	MEJMNWMTJASZAH-UHFFFAOYSA-N	317.143	1.935	50	20	DDGD	
C=C(CBr)COC(=O)Cc1ccc(C(N)=O)cc1	795624294	YVMLPDFHYHDEND-UHFFFAOYSA-N	312.163	1.822	50	20	DDGD	
CSSCCNC(=O)N(C)[C@@H](C)C(=O)NC(C)(C)C	790875553	LSAPVTSRWHAYLT-VIFPVBQESA-N	307.485	1.942	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CC[C@H](C)C[C@H]1n1cncn1	794519157	JTPTWZRTACUGDD-OUCADQQQSA-N	323.397	1.163	50	20	DDGD	
Cc1cccnc1NC(=O)NNc1ccc(-n2ccnc2)nn1	796656242	RWJRTQTXZAOANM-UHFFFAOYSA-N	310.321	1.514	50	20	DDGD	
CCN1CCC(=NNC(=O)c2n[nH]c3c2CCCC3)[C@@H](C)C1	1318686522	WUUOEFFMZQLOKJ-NSHDSACASA-N	303.410	1.736	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1c(Cl)nc2sccn12	1318912378	SOOWHMIHNFKRCQ-UHFFFAOYSA-N	300.727	1.062	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNc2nncc(N)c2Cl)c1	1319219368	JGALYUAZZDXMBW-UHFFFAOYSA-N	322.712	1.686	50	20	DDGD	
O=C(CO[C@@H]1CCOC1)OC[C@H](CBr)C1CC1	1328879317	SJUMRROHDLZFQA-WDEREUQCSA-N	307.184	1.756	50	20	DDGD	
O=C(CO[C@@H]1CCOC1)NNC(=O)C12CC3CC(CC(C3)C1)C2	1322310632	GWOKQECTOWOLCC-DLUQRMLASA-N	322.405	1.156	50	20	DDGD	
COCC1(CNC(=O)NNc2nncc(N)c2Cl)CCC1	1321255706	IOFFGZVTENYOLD-UHFFFAOYSA-N	314.777	1.155	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(OCC2CC2)nc1	1327149583	FHDIMSXXQHJRBW-ZWNOBZJWSA-N	319.361	1.056	50	20	DDGD	
CSc1ccc(C(=O)NNc2nc(O)c3cnn(C)c3n2)o1	1322739949	ZGYQRQFJNPPCQF-UHFFFAOYSA-N	320.334	1.141	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H](c1cccc(C)c1)C(C)(C)C	1252594977	ASFAIIBLVQPZEE-LBPRGKRZSA-N	321.377	1.586	50	20	DDGD	
Cc1c(CC(=O)OC[C@]2(C)C[C@@H]2Br)cnn1C	1263537779	XUPGCIFECGHWPO-JQWIXIFHSA-N	301.184	1.988	50	20	DDGD	
CN(CCCC(=O)O)C(=O)NC[C@]1(C)C[C@H]1Br	1341412736	CDQRQNOWRCKMIY-KCJUWKMLSA-N	307.188	1.666	50	20	DDGD	
COc1cccc(NNC(=O)NCc2nc3c(s2)CCC3)n1	1342285357	OQGDVDJDHAEWKO-UHFFFAOYSA-N	319.390	1.862	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)c2ccc(OC)cc2)no1	1347770009	TUAJQVBUYKHOCW-UHFFFAOYSA-N	303.318	1.711	50	20	DDGD	
CO[C@H]1CCC[C@@H]1C(=O)NNC(=O)COc1cc(C)cc(C)c1	1356583351	DNAVCTLFZQISBS-GJZGRUSLSA-N	320.389	1.645	50	20	DDGD	
C#CCCCC(=O)NN[C@H](C(=O)OC)c1ccccc1Cl	1352748751	GOPBHUVBAYBZMO-AWEZNQCLSA-N	308.765	1.978	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cnc(Cl)cc1C(F)(F)F	1528509813	PVYRRLNZGXCEMC-ZCFIWIBFSA-N	311.691	1.711	50	20	DDGD	
Cc1ccc(S(=O)(=O)CCC(=O)N2CC=C(C#N)CC2)cc1	1466141252	PVQGDGZPXPQMIU-UHFFFAOYSA-N	318.398	1.841	50	20	DDGD	
CC(Cc1ccc(F)cc1Br)=NNC(=O)C(=O)O	1609751627	UAWJNXVYJSHXFW-UHFFFAOYSA-N	317.114	1.707	50	20	DDGD	
N#Cc1ccc(NCC(=O)NNc2ccc(C(=O)O)cn2)cc1	1601108190	FOMKYFFPXUVKBC-UHFFFAOYSA-N	311.301	1.207	50	20	DDGD	
O=C(NN=Cc1cccc(-c2nn[nH]n2)c1)c1ccccc1F	1606849635	QXNFGDCMEAJISS-UHFFFAOYSA-N	310.292	1.770	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cccc(CCC(=O)O)c1	1602675293	OWIAEEOZGCFXJS-UHFFFAOYSA-N	317.345	1.660	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNc1cccc(F)c1C(=O)O	1607396156	AGVVTVCRVPJXQU-SECBINFHSA-N	302.327	1.081	50	20	DDGD	
C[C@H](C(=O)NNc1ccccc1C(=O)O)N(C)CC(F)(F)F	1603173331	HWADIKPZFYQPSX-MRVPVSSYSA-N	319.283	1.711	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCSCC(=O)O)cc1F	1610484823	JVWNLQLJKBIPAU-UHFFFAOYSA-N	314.338	1.103	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@@H]1Cc2ccccc2O1	1610805791	DIMQLNGBQLWZOI-ZDUSSCGKSA-N	316.288	1.971	50	20	DDGD	
CC(F)(F)C(C)(C)C=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549684920	KOEZLGFRSNKIQS-GHMZBOCLSA-N	303.353	1.633	50	20	DDGD	
CN(C1(CN)CCC1)S(=O)(=O)c1ccc(CCl)cc1	1578432597	RBFUSBCCSZLHMK-UHFFFAOYSA-N	302.827	1.927	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)CCCc1ccccc1)[C@H](C)N	1575414685	QSAZKYVLKMYBHB-XJKSGUPXSA-N	305.422	1.776	50	20	DDGD	
CC(C)NCC(=O)NNC(=O)CSc1ccc(Cl)cc1	1575727741	OLGBMMAHYAVXDL-UHFFFAOYSA-N	315.826	1.578	50	20	DDGD	
N[C@H](CCC(=O)NNC(=O)[C@@H]1CCCS1)c1ccccc1	1580126072	DAKBEQKOBVAAPE-OLZOCXBDSA-N	307.419	1.510	50	20	DDGD	
CC(C)C(=O)NNC(=O)NC[C@@](C)(C(=O)O)c1ccccc1	1588799470	JJIVGZFIPJBRHW-OAHLLOKOSA-N	307.350	1.015	50	20	DDGD	
NCc1ccc(NC(=O)NN=c2cc[nH]c3cccnc23)cc1	1580339215	FUHUBKLWHOWXSP-UHFFFAOYSA-N	308.345	1.659	50	20	DDGD	
CC1(C)CN(C[C@H](CBr)C2CC2)C[C@@H](CO)O1	859330787	JKGMNVQOMRQOMR-RYUDHWBXSA-N	306.244	1.879	50	20	DDGD	
C[C@@H]1C[C@]1(C)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843365467	RXZZMKPKMBQLNC-NRUUGDAUSA-N	302.777	1.770	50	20	DDGD	
C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1590223194	ORISOTNFZJHKOG-LHMODEAPSA-N	312.377	1.992	50	20	DDGD	
CC(C)n1cnc(C(=O)NNc2ccc(CC(=O)O)cc2)c1	1592144133	BOCLXNMMPPRREE-UHFFFAOYSA-N	302.334	1.848	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNc1cccc(C(=O)O)c1	1594448316	QZXISSHJUFDQQY-LKFCYVNXSA-N	314.345	1.917	50	20	DDGD	
O=C(O)[C@@]1(C(=O)NN=c2cc[nH]c3cccnc23)CC=CCC1	1594866818	DMDWZTUIBQUPTF-INIZCTEOSA-N	312.329	1.306	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)O)N1C(=O)/C(C#N)=C/c1ccc(O)cc1	1594215451	BVCYJLCWFXWEFT-DIJNDRRESA-N	300.314	1.763	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNc1ccc(C(=O)O)c(F)c1	1596684009	RRIMMBUGFCOICP-NXEZZACHSA-N	310.281	1.166	50	20	DDGD	
Cc1ccc(C=NNC(=O)c2ccc(O)c(O)c2)cc1C(=O)O	1776058474	JFSZEFVYWNYWPP-UHFFFAOYSA-N	314.297	1.868	50	20	DDGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)n(C)n1	1776130858	YPQDRRIPDWXUCM-XYOKQWHBSA-N	310.313	1.972	50	20	DDGD	
C=CCOC(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1[N+](=O)[O-]	1776182225	SJFFOLPZSBPHRI-IZZDOVSWSA-N	302.242	1.929	50	20	DDGD	
N#Cc1cccc(C(=O)NN=Cc2ccc(C(=O)O)c(O)c2)c1	1776042813	XJLIIHMZHDVJFU-UHFFFAOYSA-N	309.281	1.726	50	20	DDGD	
CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](Cl)COC)C2	1795537412	VHDBGBCSDVOPAL-YVECIDJPSA-N	316.829	1.679	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccccc2OC2CCC2)[nH]n1	151216752	UOHRRYFGHYUVSW-UHFFFAOYSA-N	314.345	1.724	50	20	DDGD	
N#Cc1ccc(NNC(=O)CSc2nnnn2C2CC2)cc1	155176445	ANKDBCFUEVUHFN-UHFFFAOYSA-N	315.362	1.115	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cccc(C)n2)n1	155700804	DYSQEORFOVGIJL-UHFFFAOYSA-N	300.366	1.783	50	20	DDGD	
COCc1ccc(C(=O)NNC(=O)Cn2nc(C)cc2C)cc1	7520208	XBOPMMNJUQMZNL-UHFFFAOYSA-N	316.361	1.108	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2C[C@@H](C)C[C@H](C)C2)n1	8307214	VDWFKKYYDOGRBV-QWRGUYRKSA-N	324.450	1.119	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccsc1	57659518	BEVWRIBGNUPHGC-GFCCVEGCSA-N	304.327	1.349	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)cc1	57979893	JAVOABOSZYZBJT-UHFFFAOYSA-N	324.296	1.753	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2[nH]c(C)cc2C)c1	177690668	LPUWNAJJJGNIMY-UHFFFAOYSA-N	301.346	1.780	50	20	DDGD	
CC(C(=O)NNC(=O)Cc1cn2ccccc2n1)=C1CCCC1	176685430	CUVAFANXVUQWPR-UHFFFAOYSA-N	312.373	1.915	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NC[C@@H](C)N(C)C1CC1	105267436	XFZASFUYDLPXTC-GFCCVEGCSA-N	319.409	1.813	50	20	DDGD	
O=C(NCCNC(=O)c1ccc(F)cc1)NNc1ccccc1	114942670	KNUSTGDZCFKRTJ-UHFFFAOYSA-N	316.336	1.882	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1cccc2cn[nH]c12	102158266	GDUHAEKNTXLWAB-UHFFFAOYSA-N	321.300	1.765	50	20	DDGD	
Cc1cc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)ccc1F	103361253	XZJYWWXVTQQEFV-LBPRGKRZSA-N	314.382	1.240	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccc(C#N)cc2)ccc1C	61473576	SGFNABWILGFXBM-UHFFFAOYSA-N	309.325	1.950	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)CN(C)C(C)C)c1C	60161751	MOOSZIYAOQJZCH-AWEZNQCLSA-N	321.421	1.558	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cn1	21332380	UOUGKZKRFLYRLA-UHFFFAOYSA-N	309.329	1.270	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)ccc1O)Nc1ccccn1	170701621	JWQSIKFQQRFNPD-UHFFFAOYSA-N	306.709	1.907	50	20	DDGD	
CC1(C)CCCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1	112701786	WAZIMANDCDSVHN-UHFFFAOYSA-N	307.369	1.709	50	20	DDGD	
O=C(/C=C/c1cccc(F)c1)NNC(=O)NCC(F)(F)F	60415290	UKQJOBVOXJNZCZ-SNAWJCMRSA-N	305.231	1.732	50	20	DDGD	
CSc1cc(C(=O)NNC(=O)c2cnn(C)c2)ccc1F	119120813	NNNFWFJJSFYKLN-UHFFFAOYSA-N	308.338	1.356	50	20	DDGD	
CCCCN1CCCC[C@H]1CNC(=O)NNc1ncccn1	66704657	QUZMQZJMWBIPLK-ZDUSSCGKSA-N	306.414	1.757	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(CNC(N)=O)cc2)nc(C)n1	172375173	PCGBAQFTRMTUTJ-UHFFFAOYSA-N	314.349	1.019	50	20	DDGD	
CC(C)NC(=O)CCNC(=O)NNc1c(F)cccc1F	118567254	CQWFFIVZYUBVNQ-UHFFFAOYSA-N	300.309	1.506	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)c1cccc(Cl)c1Cl	61544235	WHGLATAHAMPLMH-UHFFFAOYSA-N	318.160	1.279	50	20	DDGD	
CC(C)CC1(CNC(=O)NNC(=O)C(=O)N2CCCC2)CCC1	129807492	OHSQTFZSQINHJT-UHFFFAOYSA-N	324.425	1.156	50	20	DDGD	
COC(=O)CSCCC(=O)NNc1cc(C)ccc1F	127735932	XHZMBZPXGSLPEM-UHFFFAOYSA-N	300.355	1.874	50	20	DDGD	
O=C(NNc1ccccc1)c1ccc(CN2C(=O)CNC2=O)cc1	121046133	CSEHOYQTGGQJCN-UHFFFAOYSA-N	324.340	1.495	50	20	DDGD	
O=C(CCc1ccco1)NNC(=O)[C@H]1COc2ccccc2O1	30058536	PKEHNPDPVXCJNA-CQSZACIVSA-N	316.313	1.200	50	20	DDGD	
CCOCC(=O)NNC(=O)Cc1nc(-c2ccccc2)cs1	125035277	LOISHEYHNAURBS-UHFFFAOYSA-N	319.386	1.537	50	20	DDGD	
C=CCC(CC=C)C(=O)NNC(=O)COc1ccccc1OC	121076899	KUAGAWNOMCBJEI-UHFFFAOYSA-N	318.373	1.990	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCC3(CCC3)C2)c1	123622640	ALAKSOBMJMAXDB-UHFFFAOYSA-N	301.390	1.632	50	20	DDGD	
O=S(=O)(CBr)NCCCOCc1ccccc1	127079207	XKVSDALAHJCOHI-UHFFFAOYSA-N	322.224	1.865	50	20	DDGD	
CCCCCCOc1ccc(C(=O)NNC(=O)[C@@H](C)O)cc1	136274941	PAUWQCUUVVFHGE-GFCCVEGCSA-N	308.378	1.788	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1	133312759	GSGHDZKUOZCWJW-NEPJUHHUSA-N	323.780	1.116	50	20	DDGD	
COc1nccnc1NNC(=O)CCC(=O)c1ccc(C)s1	131820430	RHHDAHGUVQXRJX-UHFFFAOYSA-N	320.374	1.961	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(C(=O)NCC(C)C)cc1	47729490	KVFABLKSIPMSRF-UHFFFAOYSA-N	308.338	1.465	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNC(=O)CC1CCCC1	195216046	WRRBCRWEFHOSAZ-UHFFFAOYSA-N	309.391	1.206	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccc2ncsc2c1	193681272	XBRPGJMUCCRYJK-UHFFFAOYSA-N	318.280	1.803	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccc(OC(F)F)cc1	81026881	CKGSKKVLRRFJDU-UHFFFAOYSA-N	321.283	1.687	50	20	DDGD	
COc1ccc(NNC(=O)c2c[nH]c(=O)c3ccccc23)nc1	190087676	ZKIAAHJVTWRPEM-UHFFFAOYSA-N	310.313	1.689	50	20	DDGD	
O=S(=O)(N[C@@H]1CCCNC1)c1ccc(CCCCl)cc1	237801527	HAFFJWFVQKDGLY-CYBMUJFWSA-N	316.854	1.888	50	20	DDGD	
O=C(NNC(=O)c1cc[nH]n1)c1ccc(Br)cc1	97363837	UMYSZKFYYQKQAE-UHFFFAOYSA-N	309.123	1.247	50	20	DDGD	
CS(=O)(=O)N[C@H]1CCCN(/C(=C\C#N)c2ccc(F)cc2)C1	255154174	OYHOMCONJALWLC-QDECMSLZSA-N	323.393	1.704	50	20	DDGD	
CCC[C@@H]1C[C@H]1NC(=O)NNC(=O)COc1ccccc1O	267688601	HPJUYSODENXWAL-GHMZBOCLSA-N	307.350	1.290	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)COCc1ccccc1	266281395	FOKUVQJDSYATEL-UHFFFAOYSA-N	306.362	1.333	50	20	DDGD	
COCCC1(C(=O)NNC(=O)CNc2cccc(OC)c2)CC1	269722084	UKYRTSDYVHOSKL-UHFFFAOYSA-N	321.377	1.071	50	20	DDGD	
O=C(NC[C@H]1CCN(C2CC2)C1)NNc1ccc(Cl)nc1	266677439	PSQVPCLNAKGQHW-SNVBAGLBSA-N	309.801	1.845	50	20	DDGD	
CC(C)CCCNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	266666630	LTIGANGAUKNJHR-UHFFFAOYSA-N	324.337	1.681	50	20	DDGD	
CC[C@@H](CC(=O)NNC(=O)COc1ccccc1O)C(C)C	264447484	CNNLATNDTPPLHO-LBPRGKRZSA-N	308.378	1.991	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@H]1CCCCS1(=O)=O	273199939	KVUKPRWQLAXVEM-LLVKDONJSA-N	313.335	1.005	50	20	DDGD	
CN1CCOc2ccc(C(=O)NNC(=O)c3ccccc3)cc21	365449876	FRPPKBQHWPLRMW-UHFFFAOYSA-N	311.341	1.590	50	20	DDGD	
C[C@H](NC(=O)[C@@H](Br)C(C)(C)C)c1ncn(C)n1	275657499	VCCKNNHLLCIYMS-JGVFFNPUSA-N	303.204	1.802	50	20	DDGD	
Cc1ncc2c(n1)CC[C@@H](NC(=O)NNC(=O)CC(C)(C)C)C2	360977220	MOMMONDPYSQBCW-GFCCVEGCSA-N	319.409	1.409	50	20	DDGD	
CN1CCN(S(=O)(=O)CBr)Cc2ccccc21	272820794	OZBSETKGDCKIDF-UHFFFAOYSA-N	319.224	1.621	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NNC(=O)CSc1ccccc1O	270706819	NLJBIILQQOONIH-MWLCHTKSSA-N	310.375	1.057	50	20	DDGD	
CCC(C)(C)N[C@H](C)C(=O)NNC(=O)c1ccc(Cl)nc1	274691852	KDHNYRLUVKAJKM-SECBINFHSA-N	312.801	1.663	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)c2cccc(C)n2)C[C@@H](C)O1	279580383	BMCLERXPLGPFGZ-NEPJUHHUSA-N	306.366	1.244	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CC[C@@](C(=O)OCC)(C(C)C)C1	278516631	KQGWPGFRYRANRC-ISBHARSQSA-N	308.378	1.868	50	20	DDGD	
Cc1cc(C)c(CC(=O)NNC(=O)N2CCN(C)CC2)c(C)c1	278660233	PJUZFWZZDDCONI-UHFFFAOYSA-N	318.421	1.143	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N2CC=C(C#N)CC2)C1	270958098	QHCSLBXRBPIHBB-HIFRSBDPSA-N	303.406	1.953	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2cc(Cl)ccn2)[C@H]1OC	275070374	LEACTOSIIAGNHS-HOSYDEDBSA-N	314.773	1.554	50	20	DDGD	
COCC[C@H](NC(=O)NNC(=O)c1ccc(C)o1)c1ccco1	272522473	KANXPNNUTYGFSU-NSHDSACASA-N	321.333	1.903	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2nnc(-c3ccccn3)s2)CCO1	276515232	WZCUKCDMMPQDSY-NXEZZACHSA-N	319.390	1.858	50	20	DDGD	
CCO[C@@H]1C[C@@H](NS(=O)(=O)CBr)C12CCC2	373295871	ISOKLBALIGUKFW-RKDXNWHRSA-N	312.229	1.606	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)NC2CCCC2)c(C2CC2)n1	281700452	SRLYGIIRPBEYKJ-UHFFFAOYSA-N	303.366	1.549	50	20	DDGD	
COc1ccc(NNC(=O)[C@@]2(O)CCc3ccccc3C2)nc1	376089411	SXRVXFMOYPPMOT-QGZVFWFLSA-N	313.357	1.453	50	20	DDGD	
COC(=O)N(C)NC(=O)Cc1ccc(Br)cc1	286421058	QJNLFFXBGVVNJK-UHFFFAOYSA-N	301.140	1.721	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)n1	280816922	INYWMRBLBVZUMH-YRGRVCCFSA-N	318.377	1.292	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)nn1	288105922	XJORRAOOZVHUQJ-QJPTWQEYSA-N	317.393	1.625	50	20	DDGD	
CSSCCNC(=O)[C@H](C)NC(=O)c1cccs1	284139185	PSRKXUUFQYGKQT-QMMMGPOBSA-N	304.462	1.994	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)COc1cc(C)ccc1C	281282015	XNVKDAVCYRUYKA-INIZCTEOSA-N	308.378	1.645	50	20	DDGD	
N#Cc1ccc(Cl)c(C(=O)NNC(=O)NCC(F)(F)F)c1	803352220	OTMDZPBNSIATRW-UHFFFAOYSA-N	320.658	1.718	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNC(=O)c1ccc(CC)cc1	299011436	XKSFKRGHQXMTHS-LBPRGKRZSA-N	308.378	1.452	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1c(F)ccc(F)c1F	802024911	MVAVPLXSTJSUNQ-UHFFFAOYSA-N	310.235	1.387	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1ccc(N2CCOCC2)nc1	804773496	WGIAJYBEMCHUOY-UHFFFAOYSA-N	317.324	1.209	50	20	DDGD	
CCCN(CC)Cc1ccc(C(=O)NNC(=O)N(C)C)cc1	299678206	RBZMXOFCPVLNJL-UHFFFAOYSA-N	306.410	1.835	50	20	DDGD	
CS(=O)(=O)c1ccc(NNC(=O)c2cccnc2F)cc1	807118729	PUKYXBYTLSDZHX-UHFFFAOYSA-N	309.322	1.381	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@H]1C[C@@]12CCc1ccccc12	802025726	DXEZQHGNEDUOAQ-CRAIPNDOSA-N	322.368	1.560	50	20	DDGD	
CCCc1noc(CCCC(=O)NNC(=O)[C@H]2CCCCO2)n1	295343644	IBQCGJRLDZLFBZ-LLVKDONJSA-N	324.381	1.061	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCCCO2)c(F)c1	296868388	ZJWHAKUPOIIEIM-LLVKDONJSA-N	316.354	1.013	50	20	DDGD	
O=C(COCc1ccccn1)NNc1ncnc2ccsc12	807093028	HMBMCCDZDMGCCW-UHFFFAOYSA-N	315.358	1.746	50	20	DDGD	
CC(C)(C)n1ncnc1CNC(=O)NNc1ncncc1Cl	800026718	DYUVMHSUXACUGB-UHFFFAOYSA-N	324.776	1.303	50	20	DDGD	
COC(=O)C1(CNC(=O)NNc2ccncn2)CCCCC1	296528378	DIMKOPVBDMPLHF-UHFFFAOYSA-N	307.354	1.226	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccc(NCC2CC2)nc1	800688985	ACHAHLYTIUFTDE-UHFFFAOYSA-N	316.283	1.617	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2ccc(C#N)c(Cl)c2)O1	292835393	PZQYMIHCWGZKEU-UFBFGSQYSA-N	322.752	1.932	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1cccc(NC(C)=O)c1	294055429	YMZHODGSCGOUOM-UHFFFAOYSA-N	322.365	1.567	50	20	DDGD	
CCO[C@H]1C[C@@](CO)(NC(=O)NCCSSC)C1(C)C	807233876	OQJXLMUSODJBTR-GWCFXTLKSA-N	322.496	1.863	50	20	DDGD	
CCc1c(C(=O)NNC(=O)CCc2ccccc2O)ccn1C	290294690	RWXYVAZRIHDZBW-UHFFFAOYSA-N	315.373	1.687	50	20	DDGD	
O=C(NNc1ncccc1F)c1cnnn1-c1cccc(F)c1	804218363	VYFYTPLCJIZCBA-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@H](NCC(=O)NNC(=O)c2ccccc2)C1(C)C	296305029	ZZMHGTFTOXVXAC-TUKIKUTGSA-N	319.405	1.097	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCSC1)Nc1ccc2c(c1)OCO2	802098649	VHKACCQGWNUBIC-QMMMGPOBSA-N	309.347	1.321	50	20	DDGD	
COc1nccnc1NNC(=O)C[C@H]1COc2ccccc2O1	294870988	DDQHHGBIQDFVFO-JTQLQIEISA-N	316.317	1.158	50	20	DDGD	
Cn1ncc(CCCNC(=O)NNc2ccc(Cl)nc2)n1	297241438	HMUNTMFFAHFGAP-UHFFFAOYSA-N	309.761	1.122	50	20	DDGD	
CNc1nc(C)cc(C(=O)NNc2ccc([N+](=O)[O-])cc2C)n1	805374313	NGQDEUWNKMQRRX-UHFFFAOYSA-N	316.321	1.800	50	20	DDGD	
CC[C@@H](C)CONC(=O)NNC(=O)c1c(C)nc2ccccn12	813826966	SGINAOORDQLDGN-SNVBAGLBSA-N	319.365	1.564	50	20	DDGD	
CCc1nn(C)c(OC)c1C=NNC(=O)c1ccccc1OC	814843930	VZCJFYWYQYPDMF-UHFFFAOYSA-N	316.361	1.764	50	20	DDGD	
CO[C@@H]1CCC[C@H](C(=O)NNC(=O)CCOc2ccccc2)C1	814407451	GJWXBTIRVBNJCR-DZGCQCFKSA-N	320.389	1.808	50	20	DDGD	
COc1ncc(C=NNC(=O)CNC(=O)c2cccs2)s1	812227029	OQGRVNPPDVHBKH-UHFFFAOYSA-N	324.387	1.093	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)CCOc1ccccc1)n1cccn1	819196599	IHCROIRHGITMDF-ZDUSSCGKSA-N	316.361	1.451	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)COc2ccc(F)cc2)cn1	728855952	QQPHUKWEVWOIQS-UHFFFAOYSA-N	313.288	1.042	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)n1C	811629346	XLQWYCXOAJYJTR-UHFFFAOYSA-N	316.321	1.158	50	20	DDGD	
O=C(NN=Cc1ccc(O)cc1O)Nc1ccc2c(c1)OCO2	814992598	MQTRXULAIRGBFM-UHFFFAOYSA-N	315.285	1.982	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)Cc2c[nH]c3ccccc23)cn1	814747772	UWOXXZMXYUSBFK-UHFFFAOYSA-N	322.372	1.717	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)CSCC(=O)O	821052045	IWHMWIKZHLZEET-UHFFFAOYSA-N	305.359	1.804	50	20	DDGD	
CC[C@H]1CC(=NNC(=O)c2cccc(-c3nn[nH]n3)c2)CCO1	820966973	JGKRGYFSXZQCHL-ZDUSSCGKSA-N	314.349	1.542	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C)Cc1cc2ccccc2o1	827963623	QLRCDUUSGQIEEV-UHFFFAOYSA-N	303.362	1.668	50	20	DDGD	
Cc1cccc(CC(=O)NNc2cccc(-c3nn[nH]n3)c2)c1	826298030	ZSCWWNRFLNXVMV-UHFFFAOYSA-N	308.345	1.861	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C	828603639	GUHAUOLDRNGJPK-RYUDHWBXSA-N	321.396	1.937	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@H]21	491129641	HJPJQCLQRHGYEH-RCIAKXAYSA-N	305.378	1.194	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(Oc2ccccc2F)nc1	823908050	SQGZLEHDHNCJGJ-LLVKDONJSA-N	319.336	1.970	50	20	DDGD	
CNC(=O)NNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1	727146624	XIVDHLJJXXDHRG-LLVKDONJSA-N	322.365	1.213	50	20	DDGD	
CCN(CCO)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1	823838942	ZBBVJFAVMDZDEH-UHFFFAOYSA-N	309.347	1.769	50	20	DDGD	
Cc1cc(C)n(-c2ccc(CC(=O)NN(C)[C@H](C)CO)cc2)n1	823970941	NCZQYZFPGRZFMT-CQSZACIVSA-N	316.405	1.375	50	20	DDGD	
Cc1ccoc1C=NNC(=O)NCCNC(=O)OC(C)(C)C	492009445	VREPMGYYYZTEPX-UHFFFAOYSA-N	310.354	1.746	50	20	DDGD	
Cc1ccc(Br)cc1CC(=O)NNC(=O)N(C)C	822854125	DRLDBZXNXNPCBI-UHFFFAOYSA-N	314.183	1.602	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccccc2O)nn1C(C)C	823860561	GXLPFLCCBXOUKF-UHFFFAOYSA-N	302.334	1.553	50	20	DDGD	
C[C@H](CCc1ccco1)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	825566992	RXYLLQUJISYHRK-NQBHXWOUSA-N	309.366	1.356	50	20	DDGD	
COC[C@H](Cc1ccccc1)NC(=O)/C(C#N)=C/c1cnn(C)c1	491175607	LRADUDLVCDVZOX-BDBSJLECSA-N	324.384	1.701	50	20	DDGD	
C[C@@](O)(CNC(=O)/C(C#N)=C/c1ccc(O)cc1)c1ccco1	490908107	JHPFPHFPEOSTIH-JZUUQJBKSA-N	312.325	1.916	50	20	DDGD	
CCN(CCO)NC(=O)Cc1cccc2ccc(OC)cc12	823870069	XUFHFVQFMYTZLO-UHFFFAOYSA-N	302.374	1.736	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)/C=C\c2cccnc2)c1	490789577	MFBKVUCKRONPJC-HJWRWDBZSA-N	310.357	1.622	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC(O)(Cc2ccncc2)CC1	491052107	UQRGPQIAZNCXRF-SQFISAMPSA-N	315.373	1.422	50	20	DDGD	
C[C@@]1(C(=O)NCc2nccnc2Cl)C[C@@H]1Br	908113109	NBGHEDKYWBYGRZ-OIBJUYFYSA-N	304.575	1.920	50	20	DDGD	
CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)NNC(=O)OC	495367305	OBIBQGRLPNURGX-ZDUSSCGKSA-N	303.359	1.457	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1)c1cncs1	734745356	LDZKJGMOQBMPRO-SDDRHHMPSA-N	324.450	1.729	50	20	DDGD	
CN(CCCC(=O)NNC(=O)CCC1CCCCC1)C(=O)O	737427755	XCTFGBWBSVDYSF-UHFFFAOYSA-N	313.398	1.884	50	20	DDGD	
CCCCC[C@H](O)C(=O)NNC(=O)c1ccc(OC)cc1OC	823147782	DGIJGRPDWKWOCR-ZDUSSCGKSA-N	324.377	1.406	50	20	DDGD	
CC(C)n1cc([C@H](C)NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cn1	825989350	BONJNCLMJHZHEI-GVXVVHGQSA-N	323.397	1.280	50	20	DDGD	
CC(C)Oc1ccc(F)cc1S(=O)(=O)NNC(=O)C(C)C	901836766	PLNVFMICPSODHT-UHFFFAOYSA-N	318.370	1.578	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CC[C@H](OCCN2CCCC2)C1	490755456	VCWYRNVBRAFHRE-BUYIWHAFSA-N	307.394	1.144	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cnc(-c2ccccc2)nc1	490610846	MZLRKJJTEUAWIC-OQLLNIDSSA-N	308.341	1.813	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCC[C@@H](OC(F)F)C2)c(F)c1	585044505	LOWAMMDCNYZQCG-NWDGAFQWSA-N	317.116	1.146	50	20	DDGD	
CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2cccc(B(O)O)c2)C1	584930547	MKGAFSGMPJTVNN-WMLDXEAASA-N	301.195	1.407	50	20	DDGD	
C[C@H](OC[C@H]1CCCO1)C(=O)NN(C)C(=O)OC(C)(C)C	496792131	IABYUQVHOBPVJX-WDEREUQCSA-N	302.371	1.469	50	20	DDGD	
CCOC(=O)c1cc(NC(=O)[C@]2(C)C[C@@H]2Br)n[nH]1	907232949	AZGGNOQIAGYRMV-WRWORJQWSA-N	316.155	1.698	50	20	DDGD	
CC1(C)CN(C(=O)c2ccc(B(O)O)cc2)C[C@H]1c1ccccc1	584963656	BLEJQXUGHZPRJE-KRWDZBQOSA-N	323.201	1.632	50	20	DDGD	
C[C@@H](Cc1ccsc1)NC(=O)NNC(=O)[C@H]1CCCCO1	836248349	FIJMHTUQXRKYDZ-CMPLNLGQSA-N	311.407	1.579	50	20	DDGD	
Cc1cc([C@@H](C)NC(=O)c2ccc(B(O)O)c(F)c2)c(C)s1	584931241	MTMRJRFQIAXQDT-SECBINFHSA-N	321.182	1.675	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCC[C@H]1C(F)(F)F)c1ncon1	832829756	BXHKOSKUZNCFSY-NKWVEPMBSA-N	306.244	1.199	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)ccc1[N+](=O)[O-]	831616793	PSWYCWFDJCOFQS-GXSJLCMTSA-N	322.321	1.481	50	20	DDGD	
N#CC1=CCN(C(=O)c2cccn2CCN2CCOCC2)CC1	907171415	PNUKCWQFUOUNNJ-UHFFFAOYSA-N	314.389	1.116	50	20	DDGD	
O=C(NC1CC1)OC[C@@H]1CCCCN1S(=O)(=O)CCl	831576794	KDPQSAXYRIQFDJ-JTQLQIEISA-N	310.803	1.256	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(Cl)c(N)cc1OC	831945696	SYVONRHKZLFICP-UHFFFAOYSA-N	300.746	1.237	50	20	DDGD	
O=C(Cc1ccsc1)NNC(=O)[C@@H]1CCC[C@H](C(=O)O)C1	833119973	KNPGLFVXGFNUCQ-MNOVXSKESA-N	310.375	1.329	50	20	DDGD	
CC[C@H]1CC[C@@H](C)N1CC(=O)NNC(=O)c1ccc(C#N)cc1	839536285	NSPRPDPKXICOGB-DOMZBBRYSA-N	314.389	1.582	50	20	DDGD	
Cn1cc(Cl)c(CNC(=O)[C@@]2(C)C[C@H]2Br)n1	908933179	OBEMFLWIVHPGIC-SCZZXKLOSA-N	306.591	1.863	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)Cc2cnccn2)c(OC)c1	834954810	BQGOYDZLQAEEBG-UHFFFAOYSA-N	314.345	1.842	50	20	DDGD	
Cc1ccc(F)cc1C(=O)NNC(=O)COc1ccccc1O	730782318	KTBBWNRRDWHMMR-UHFFFAOYSA-N	318.304	1.680	50	20	DDGD	
CC(C)(C)O[C@@H]1C[C@@H](NS(=O)(=O)CCl)[C@@H]1n1cccn1	832550294	OGYXIFYBZNRPHJ-MXWKQRLJSA-N	321.830	1.496	50	20	DDGD	
C[C@H](NC(=O)c1ccc(B(O)O)cc1)[C@@H]1CCCc2ccccc21	584980486	AVFVSPNJFQUALG-GUYCJALGSA-N	323.201	1.605	50	20	DDGD	
CCN(Cc1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cc1)C(C)C	585070056	SPLIYBSHMOCKKI-MRXNPFEDSA-N	318.226	1.606	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@H]1CCCCO1)N1CCc2ccccc21	833250345	FKXKRDDPPCJBGY-IUODEOHRSA-N	317.389	1.154	50	20	DDGD	
CSc1ccc(S(=O)(=O)NNC(=O)C2CCC2)cc1	732047863	IJRNFTWDWRLPKY-UHFFFAOYSA-N	300.405	1.518	50	20	DDGD	
CC(C)C1CCC(NC(=O)c2cc(B(O)O)ccc2F)CC1	584961137	ZIFBNEMXEBZSFR-UHFFFAOYSA-N	307.174	1.450	50	20	DDGD	
O=C(NCCOC[C@H]1CCOC1)NNc1c(F)cccc1F	735759490	DIGZXORZQAFUMS-JTQLQIEISA-N	315.320	1.644	50	20	DDGD	
Cn1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)cc1=O	739039453	UDUXGLJBWCUOIA-UHFFFAOYSA-N	318.241	1.211	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2CCN(C3CCCCCC3)C2)c1	585022493	OXWGEEOJMHNYAR-QGZVFWFLSA-N	316.254	1.253	50	20	DDGD	
CC(C)CONC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836370202	BHOJTRRDEBYCMM-UHFFFAOYSA-N	310.310	1.339	50	20	DDGD	
CO[C@@](C)(CNC(=O)NNc1cccnn1)c1ccccc1	836591019	UFSWWXXIIJPFSC-HNNXBMFYSA-N	301.350	1.665	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C\c1cccnc1	910188109	VJDIAAFGUWOTLY-ZHRWSRJISA-N	319.361	1.220	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)n1	740113953	MJXFABQGRRMJNM-CHWSQXEVSA-N	315.352	1.929	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])cc1	916321847	DJLFEUXHTLPTKJ-UHFFFAOYSA-N	324.296	1.996	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2ccc(C#N)cc2)CCCC1	837376543	CZUFHTZUCWHZSI-UHFFFAOYSA-N	301.346	1.526	50	20	DDGD	
CO[C@@H]1CCCCC1=NNC(=O)Cc1cc(O)nc(S)n1	915957352	JDJPMNMVJBVNOM-SNVBAGLBSA-N	310.379	1.075	50	20	DDGD	
CO[C@@]1(C=NNC(=O)Nc2ccc(C(=O)O)cc2)CCOC1	841625864	MDMRKTLFSRZWJP-CQSZACIVSA-N	307.306	1.298	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN(Cc2ccccc2)C1)c1ccncc1	847280755	GRTQIJYJWNILLZ-MRXNPFEDSA-N	324.384	1.365	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H](C)C2(OC)CCC2)n1	840451931	BFYFVWYPMGTBMG-JTQLQIEISA-N	309.370	1.377	50	20	DDGD	
COC(C)(C)C[C@@H](C)NC(=O)NNC(=O)c1ccccc1F	743657061	YZBAFOXNROFBDD-SNVBAGLBSA-N	311.357	1.973	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2cn3ccccc3n2)cc1	918711533	PRYJJDLJRGOZPC-UHFFFAOYSA-N	321.340	1.732	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@H]2CC2(Cl)Cl)n1	746744180	RGTVPCIKJSEHQP-SSDOTTSWSA-N	320.180	1.614	50	20	DDGD	
CO[C@@H](CC(=O)NNC(=O)NCc1ccco1)C(F)(F)F	845299708	MQXMHLAXTWRORN-QMMMGPOBSA-N	309.244	1.077	50	20	DDGD	
CCC[C@@H](C)C(CC)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	748249108	SAIVUKRLVUKXBV-GHMZBOCLSA-N	303.428	1.675	50	20	DDGD	
CCCC(=NNC(=O)[C@H](C)NS(C)(=O)=O)[C@@H]1CC1(C)C	841623033	DOXJHJVDKIHYMF-UWVGGRQHSA-N	303.428	1.243	50	20	DDGD	
O=C(NC[C@H]1CCCN1)[C@@]12CC[C@@H](C[C@@H]1Br)C2	846665587	MVQICHNPTLGEQD-SRRSOLGSSA-N	301.228	1.808	50	20	DDGD	
O=C(CCOCC(F)(F)F)NNC(=O)c1ccccc1F	914456807	ARCIJLGHXNXCFF-UHFFFAOYSA-N	308.231	1.556	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C2CCCC2)cc1[N+](=O)[O-]	914842420	DEUGTTFQHKHKGG-UHFFFAOYSA-N	321.333	1.945	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)CC(F)(F)F)c1C(F)(F)F	918367048	KMXWULBANZNVEU-UHFFFAOYSA-N	318.177	1.152	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1cccc2ccccc12)n1cccn1	913000267	XYDRGPYZUZNMFA-CYBMUJFWSA-N	322.368	1.987	50	20	DDGD	
O=C(NC[C@@H]1CCCCN1)NNC(=O)c1cc2c(s1)CCC2	841921429	JBXPNANLUVXJJA-NSHDSACASA-N	322.434	1.323	50	20	DDGD	
C=C(CBr)CN1CCC(n2cnnc2O)CC1	846881348	CIBARMDKMFGCPD-UHFFFAOYSA-N	301.188	1.572	50	20	DDGD	
O=C(Cn1ccsc1=O)NNC(=O)c1ccccc1Cl	746643930	NSRKIUMLNKEPCG-UHFFFAOYSA-N	311.750	1.024	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(C#N)ccc1Cl	843655545	MTSSTDFZBGVALF-WPRPVWTQSA-N	307.737	1.398	50	20	DDGD	
COc1cc(C(C)=NNC(=O)[C@@H]2CCO[C@@H]2C)cc(OC)c1O	842549231	IHUYUVCVHNPJSN-ZYHUDNBSSA-N	322.361	1.675	50	20	DDGD	
O=C(O)Nc1cccc(C(=O)NNC(=O)Cc2cccnc2)c1	740033211	HIBPEVLKVUVLID-UHFFFAOYSA-N	314.301	1.175	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H]2CCc3cncn3C2)cc1	844143681	GIHHFWDWYVKRLR-GFCCVEGCSA-N	300.362	1.988	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)OCC2CC2)cc1	920772936	IKYARHGQSSLBLQ-GFCCVEGCSA-N	306.362	1.336	50	20	DDGD	
O=C(NNC(=O)C1[C@@H]2CCC[C@@H]12)c1cnn(-c2ccccc2)c1	748851719	JVGNPYLFANWDJF-ZIAGYGMSSA-N	310.357	1.679	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]	748697732	RXQUHZMVTBXDNJ-UHFFFAOYSA-N	324.293	1.537	50	20	DDGD	
COc1nccnc1NNC(=O)CCSCc1ccccn1	840572683	WDCNNCLXXKDXPF-UHFFFAOYSA-N	319.390	1.647	50	20	DDGD	
C[C@@H](NCC(=O)NNC(=O)c1cccs1)c1cccc(O)c1	759676399	UIDQHWBFRKTXDD-SNVBAGLBSA-N	319.386	1.566	50	20	DDGD	
C[C@@]1(CCC(=O)NNC(=O)c2ccccc2F)CCC(=O)N1	753380228	SILOOUKZFNKUMT-HNNXBMFYSA-N	307.325	1.036	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H](C)c2c(C)n[nH]c2C)nc1	752673882	MHLSJZWPOLVFKJ-QMMMGPOBSA-N	317.349	1.455	50	20	DDGD	
CC(Cn1cncn1)=NNC(=O)COc1cc(C)ccc1C	853265079	FCABDKMTKQUHJR-UHFFFAOYSA-N	301.350	1.466	50	20	DDGD	
Cn1c(=NNC(=O)[C@H](C(=O)O)C2CC2)sc2ccccc21	852950609	QRUXEYDVONRRTR-LLVKDONJSA-N	305.359	1.283	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnc(S)n1-c1ccccc1	920858688	ZCUAHYKIDZYVEO-UHFFFAOYSA-N	305.363	1.125	50	20	DDGD	
C[C@]1(CNC(=O)c2nc3ncccn3n2)C[C@@H]1Br	857686749	DHVCUZLYUDQTEX-WRWORJQWSA-N	310.155	1.028	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1	757779752	JXPKRCCYHBXCNF-UHFFFAOYSA-N	313.264	1.300	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc(F)ccc1O	854282958	BSSNULWZHDAMKZ-UHFFFAOYSA-N	315.370	1.019	50	20	DDGD	
COc1ccc2c(c1)CCN(C(=O)NNC(=O)C(C)(C)C)C2	852083693	KRSNEPMEMSFBBD-UHFFFAOYSA-N	305.378	1.840	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)COc2ccc(F)cc2)c(C)n1	858143884	AKJLQOHYEGUVFG-UHFFFAOYSA-N	320.324	1.191	50	20	DDGD	
CCOC1(C(=O)NC[C@]2(C)C[C@@H]2Br)CCOCC1	857688994	SEMFDPONMHJCRI-JQWIXIFHSA-N	320.227	1.862	50	20	DDGD	
CCC(=NNC(=O)CNC(=O)c1ccco1)c1ccc(O)cc1	750938931	UCVVHFRBDYXKNZ-UHFFFAOYSA-N	315.329	1.646	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNC(=O)c2cccc(F)n2)C1(C)C	856423552	VYIXIIRZZLSPTJ-MNOVXSKESA-N	321.352	1.623	50	20	DDGD	
O=C(NC[C@@H]1CCN1Cc1ccccc1)NNc1ccncn1	852701148	NBFRVLOWWYQYHS-AWEZNQCLSA-N	312.377	1.377	50	20	DDGD	
C[C@](O)(CNS(=O)(=O)CCCCl)c1cccc(F)c1	921399784	DSQWZSKJAPHNSW-LBPRGKRZSA-N	309.790	1.582	50	20	DDGD	
C#CCCCC(=O)NNC(=O)COc1ccc(Cl)cc1C	757836892	FOUKWIBIFHRWFO-UHFFFAOYSA-N	308.765	1.978	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)c2ccccn2)cnn1CC(C)C	757801842	OAYXFLXKIFWOEI-UHFFFAOYSA-N	316.365	1.709	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N(C)C[C@@H]2CCCOC2)c1	858706692	ZLPFJEVYVODHQS-NSHDSACASA-N	311.407	1.769	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)CCOCC(F)(F)F)C1CC1	855103911	VJOQVIVEBDCNIW-ZETCQYMHSA-N	313.345	1.249	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC(Nc2ccccn2)CC1	927089385	BOCCUMPPNWMKMD-SEYXRHQNSA-N	300.362	1.928	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C=NNC(=O)CC(F)(F)F	853292256	AQKACMYQJQJCKX-JOYOIKCWSA-N	318.299	1.942	50	20	DDGD	
CCCCOc1ccc(NC(=O)NNC(=O)COC)c(C)c1	756167068	UZBWLXMCFKCSRZ-UHFFFAOYSA-N	309.366	1.973	50	20	DDGD	
CC(C)(C)N1CCC(=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)CC1	853387805	OAAHRKRDIHWKSR-CABCVRRESA-N	322.453	1.216	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cccc(OC[C@H]2CCCO2)c1	854926802	LXSHQFICXQKAQZ-CYBMUJFWSA-N	323.418	1.325	50	20	DDGD	
CCC1(CNC(=O)NC[C@]2(C)C[C@H]2Br)COC1	856862359	XSJVWFUWMJKSTD-KOLCDFICSA-N	305.216	1.886	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2nc(C(F)(F)F)cs2)CCC1	755856062	JYKZAVZAQXSVJW-UHFFFAOYSA-N	322.312	1.521	50	20	DDGD	
N#Cc1cccc(NNC(=O)NC[C@H]2CCCCS2(=O)=O)c1	753259238	ADQMMIBMFQRDGD-CYBMUJFWSA-N	322.390	1.152	50	20	DDGD	
C[C@H](N)CCNC(=O)NNC(=O)Cc1cccc2ccccc12	857113871	JTDDRGDTOWFFGC-LBPRGKRZSA-N	314.389	1.450	50	20	DDGD	
CCN1CCC[C@H](NS(=O)(=O)CC(C)(C)CCl)C1=O	921490908	VOMKKZQEMJRASE-JTQLQIEISA-N	310.847	1.182	50	20	DDGD	
Cc1nccn1CC(=O)NNc1ccc(C(F)(F)F)nn1	857475503	CRQJQDIGGONJHT-UHFFFAOYSA-N	300.244	1.144	50	20	DDGD	
C[C@]1(CNC(=O)NCc2cncnc2N)C[C@@H]1Br	856954235	PQXXMHDIEXAEAB-GZMMTYOYSA-N	314.187	1.032	50	20	DDGD	
CC[C@@H](C)N(CC)CC(=O)NNC(=O)c1cccc(C#N)c1	852291608	XTLTWYUQHWWDRP-GFCCVEGCSA-N	302.378	1.440	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccc(CO)c(F)c1	855089803	HHNAAFSCLCEIAK-UHFFFAOYSA-N	311.382	1.227	50	20	DDGD	
CCC[C@H](C(=O)NNc1cc(F)cc(Cl)c1)S(N)(=O)=O	855620247	QAISNEDCMNIOAG-SNVBAGLBSA-N	323.777	1.379	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=Cc1cc(F)ccc1O	755677904	BSXHCGSLUQLNLC-UHFFFAOYSA-N	321.333	1.473	50	20	DDGD	
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NNc1cnnn1C	857273427	PFUMCSJYJQVLPC-NSHDSACASA-N	318.337	1.435	50	20	DDGD	
CN1C[C@H](NC(=O)NNc2cc(F)cc(Cl)c2)CC1=O	853824811	RHUNPJUFKPJZDR-SNVBAGLBSA-N	300.721	1.336	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@@H]1Cc2cccc(O)c2C1	759726661	VLCUZTFFUGMJCT-DGCLKSJQSA-N	319.405	1.031	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2cc(F)ccc21)[C@@H]1CCCCO1	854683216	LZVNZMJRTHRBIT-KBPBESRZSA-N	306.337	1.572	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@@H](CCN)C2)C[C@@H]1Br	857104748	AMJBTYCUYXWJFH-GMXVVIOVSA-N	318.259	1.930	50	20	DDGD	
Cc1c(Br)cncc1NC(=O)NNC(=O)C1CC1	934263334	OGNRENACSDEUKC-UHFFFAOYSA-N	313.155	1.715	50	20	DDGD	
CC(C)CN1C[C@H](C(=O)NNc2ccc(Cl)cn2)CC1=O	856094974	BYQOOLUAVBEEGA-SNVBAGLBSA-N	310.785	1.683	50	20	DDGD	
Cn1nc(CC(=O)NNC(=O)CC(F)(F)F)c2ccccc21	854997478	LATNVSQOJHEICX-UHFFFAOYSA-N	314.267	1.216	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CCC(=O)N1)c1cccc(Cl)c1F	863151031	CGDCOPMCZWWEMV-LLVKDONJSA-N	311.744	1.988	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NNC(=O)CCOc1ccccc1	862995060	XRDWOVFNZCQLRG-CQSZACIVSA-N	319.405	1.476	50	20	DDGD	
CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CC=C(C#N)CC3)ccc21	767159475	DYCBTIUNXCMUET-UHFFFAOYSA-N	324.340	1.006	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NNc2cc(C#N)cc(Cl)n2)C1	768158417	UNKMRRIOVIZJFC-SECBINFHSA-N	321.768	1.308	50	20	DDGD	
O=C(NNS(=O)(=O)c1c[nH]c2cccc(F)c12)C1CCC1	769871801	KSNGJGHKKFJSLY-UHFFFAOYSA-N	311.338	1.417	50	20	DDGD	
CN(NC(=O)COc1ccc(Br)cn1)C1CC1	868961757	AWIAUJUURUVGPU-UHFFFAOYSA-N	300.156	1.348	50	20	DDGD	
C[C@H](NNC(=O)Cc1ccc([S@@](C)=O)cc1)C(F)(F)F	862317906	MSPCABRJRDBMQL-FFVOIRBGSA-N	308.325	1.538	50	20	DDGD	
CCc1csc(-n2cc(C(=O)NNc3cnccn3)cn2)n1	763224705	NATISNMEHYGBPB-UHFFFAOYSA-N	315.362	1.438	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@@H]1C[C@@]12CCOC2	763724029	VEDFYBGOCINIBW-SUMWQHHRSA-N	313.357	1.284	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1sc([C@H]2CCOC2)nc1C	868861642	VEXABAIVEZCYLB-QMMMGPOBSA-N	314.436	1.036	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)N[C@@H]1C[C@H]1C(F)(F)F	868988876	JKSFMMGGZALCPE-PSASIEDQSA-N	319.258	1.649	50	20	DDGD	
O=C(NC[C@@H]1CCCCN1C1CC1)NNc1ccc(F)cn1	764842429	UBLVTZOLHHPRJU-ZDUSSCGKSA-N	307.373	1.864	50	20	DDGD	
COCCOCC(=O)NNC(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1	869909276	OZAZRUCCJKGJOX-STQMWFEESA-N	314.426	1.649	50	20	DDGD	
CCNC(=O)N(C)N=Cc1c(C)n(C)n(-c2ccccc2)c1=O	769592850	VSKLHJZSKYUJLF-UHFFFAOYSA-N	315.377	1.480	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21	860541173	SOVMWVQBJFZGEH-FRRDWIJNSA-N	321.471	1.431	50	20	DDGD	
O=C(Cc1csc2nccn12)NNC(=O)CC(F)(F)F	767892820	WVEVMHBMLVOMPG-UHFFFAOYSA-N	306.269	1.038	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CC(F)(F)C(F)(F)F	869068848	WHBROXLEGNCUSD-NTSWFWBYSA-N	304.215	1.147	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc2ccn(C)c2c1	869805479	FNRCRDAOKDJDNR-JTQLQIEISA-N	317.345	1.281	50	20	DDGD	
CC1(F)CCN(C(=O)NNC(=O)c2cccc(C#N)c2)CC1	868211134	VKWURLCMEWYNCG-UHFFFAOYSA-N	304.325	1.737	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C2CC2)cc1	764084955	WIQCUEUPXRMDHS-JTQLQIEISA-N	303.362	1.696	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2ncc(Cl)n2C)CC1	1116921043	UBFXMMNAPVHWFV-UHFFFAOYSA-N	311.817	1.646	50	20	DDGD	
C[C@]1(Cc2ccccc2)CCCN1CC(=O)NNC(=O)C1CC1	767936046	OPERYZTXGHESLT-GOSISDBHSA-N	315.417	1.641	50	20	DDGD	
CCCCS(=O)(=O)NCC(=O)NNc1c(F)cccc1F	761997009	ZAUWFXZRTIASDS-UHFFFAOYSA-N	321.349	1.127	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccnn2C2CCCC2)n1	765753365	JQCOFNFAGILKAB-UHFFFAOYSA-N	316.365	1.862	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)COc1ccc(F)cc1)c1ccc[nH]1	760863547	ANHBACPLEMHEKN-SNVBAGLBSA-N	320.324	1.624	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)C(=O)N2CCCC2)CCCCC1	763171256	NDXHYPRZJTVRMT-UHFFFAOYSA-N	324.425	1.300	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)n1	875305319	PDXIHRGVBORZSS-STQMWFEESA-N	319.409	1.806	50	20	DDGD	
COc1cccc2c1OCCCC2=NNC(=O)c1ncccn1	872385431	GSJHWFRJWLDFJT-UHFFFAOYSA-N	312.329	1.792	50	20	DDGD	
COCCOCC(=O)NN=Cc1c(O)ccc2ccccc12	872402353	FYFSKAZOWDIBPA-UHFFFAOYSA-N	302.330	1.659	50	20	DDGD	
CC(C)NC(=S)NNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1	1115812422	JMVMAPBKSLMDSJ-YVMONPNESA-N	308.363	1.512	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cccc(SC)c1[N+](=O)[O-]	777240045	NLQUNTFAQOMREH-UHFFFAOYSA-N	312.351	1.671	50	20	DDGD	
C=C(Br)CNC(=O)NNc1ncncc1Cl	780976222	ZYWIHRRKJJDOPU-UHFFFAOYSA-N	306.551	1.665	50	20	DDGD	
Cn1cc(C(=O)NNc2ncncc2F)c(C(F)(F)F)c1	1117730968	ZNGFNCGTQYMUSJ-UHFFFAOYSA-N	303.219	1.730	50	20	DDGD	
CC#CCCNC(=O)NNC(=O)c1cc(Br)c[nH]1	776205408	LBFHLVGHFARAMB-UHFFFAOYSA-N	313.155	1.135	50	20	DDGD	
COC(=O)c1cncc(C(=O)NNc2ccccc2[N+](=O)[O-])c1	774262390	CNWCAZWCPSIMBB-UHFFFAOYSA-N	316.273	1.533	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cn1)[C@H](O)c1cccnc1	775256669	HEVLCKTZUQZPNE-LLVKDONJSA-N	312.251	1.672	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	770575253	PPBGIAQCQIGZCB-FYBHJDENSA-N	306.406	1.775	50	20	DDGD	
C=Cn1cc(C=NNC(=O)c2cc([N+](=O)[O-])ccc2O)cn1	773060351	XRUSDIUKMBRQQF-UHFFFAOYSA-N	301.262	1.361	50	20	DDGD	
C[C@H]1CCN(S(=O)(=O)NNC(=O)c2ccccc2Cl)C1	1116488913	IJDODPHTGNMDBM-VIFPVBQESA-N	317.798	1.161	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21	887140442	DXXBICAEHSAFFZ-LBPRGKRZSA-N	317.320	1.202	50	20	DDGD	
Cc1cc(F)ccc1C(=O)NNc1nc(O)c2cnn(C)c2n1	771494979	SFCBSHFYYUEISK-UHFFFAOYSA-N	316.296	1.273	50	20	DDGD	
O=C(NNC(=O)c1ncc2n1CCCC2)c1cccc(Cl)n1	880697815	WTHUCMBADYZCDA-UHFFFAOYSA-N	319.752	1.343	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cc(Cl)ccc1Cl	779823102	LCVCVWYERVVGBV-UHFFFAOYSA-N	304.133	1.800	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccccc1C(F)(F)F	883058783	BKOFTWNUPVZFON-UHFFFAOYSA-N	316.279	1.893	50	20	DDGD	
Cc1nn(C)c(C)c1OCC(=O)NNc1ccc(F)c(F)c1	885112750	BWHKGPCDCQFNGE-UHFFFAOYSA-N	310.304	1.837	50	20	DDGD	
N#C[C@]1(F)CCN(CC(=O)NNC(=O)c2ccccc2Cl)C1	786436743	LSVKQHYLPHFTNL-CQSZACIVSA-N	324.743	1.039	50	20	DDGD	
CC(=O)N[C@@H](C(=O)OC[C@@]1(C)C[C@@H]1Br)C(C)C	1123143062	VTNUEVYRDSBZNE-HOSYDEDBSA-N	306.200	1.864	50	20	DDGD	
O=C(NCc1ccc2occc2c1)NNC(=O)C1CCOCC1	883718895	XQHHASAWNQAGTA-UHFFFAOYSA-N	317.345	1.690	50	20	DDGD	
COc1ccc(NNC(=O)Nc2ccc(OC)nc2C)nc1	782057012	XPGQAEMSAOKJRC-UHFFFAOYSA-N	303.322	1.951	50	20	DDGD	
CCn1nc(C)c(NC(=O)C(=O)NNc2cc(C)ccn2)c1C	783934097	LEZCDJYEPSVIGF-UHFFFAOYSA-N	316.365	1.305	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1cc2nn[nH]c2cc1F	781945806	PEVOAEHTZGYNHW-UHFFFAOYSA-N	306.688	1.902	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1ncncc1Cl)C(F)(F)F	780987995	KOMGRIBBJBUJTC-LURJTMIESA-N	313.667	1.333	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=Cc1ccc2cnccc2c1	782238412	ICAYSVOYKHKYSB-UHFFFAOYSA-N	323.312	1.129	50	20	DDGD	
COc1cccc(COCC(=O)NNc2ncncc2Cl)c1	781829857	HQIBYNPIHDUNEY-UHFFFAOYSA-N	322.752	1.799	50	20	DDGD	
CC(CCc1n[nH]c2ccccc12)=NNC(=O)C(=O)NC1CC1	782224787	BYBRGUJXBDCMQE-UHFFFAOYSA-N	313.361	1.266	50	20	DDGD	
CC(C)[C@@H]1C[C@H](CC(=O)NNc2ncnc3[nH]cnc23)CCO1	782118162	RTJGUMYZGUHYDV-MNOVXSKESA-N	318.381	1.637	50	20	DDGD	
O=C(CCNS(=O)(=O)CCCCCl)Nc1cccnc1	780767042	OTOSOAHZAIBHRX-UHFFFAOYSA-N	319.814	1.349	50	20	DDGD	
CC(C)n1cc(C(=O)NNc2ccccc2S(C)(=O)=O)cn1	787126472	PFBXDTUMLRAUCS-UHFFFAOYSA-N	322.390	1.624	50	20	DDGD	
CC(C)(O)C(=O)NN=C1C(=O)Nc2ccc(-c3ccccc3)cc21	785460028	HCDTWWDDXMOTGJ-UHFFFAOYSA-N	323.352	1.897	50	20	DDGD	
Cc1ccn(C)c(=O)c1NC(=O)NNc1ncncc1Cl	782048735	AYESMZHDSJGWBC-UHFFFAOYSA-N	308.729	1.286	50	20	DDGD	
Cn1cc(-c2n[nH]cc2C(=O)NNc2cccnc2Cl)cn1	781944295	FNTQYSVHLMDMOD-UHFFFAOYSA-N	317.740	1.616	50	20	DDGD	
Cn1cc(NC(=O)C(=O)NNc2nc3ccccc3s2)cn1	782816023	LYSIGWIYMNNAAR-UHFFFAOYSA-N	316.346	1.112	50	20	DDGD	
COC(=O)[C@@H](Cc1ccc(Cl)cc1)NNC(=O)c1ccc[nH]1	783572960	NTVIUZZFYNBZTI-CYBMUJFWSA-N	321.764	1.687	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1ccc(Cl)cc1OC	782478058	GYAPJCWMGFPTIH-UHFFFAOYSA-N	321.786	1.203	50	20	DDGD	
CCCCS(=O)(=O)/C(C#N)=C\c1ccc(C(=O)OC)n1C	899368648	KVRZRKWLQZKDHM-XFXZXTDPSA-N	310.375	1.891	50	20	DDGD	
C=C[C@H](CC)CC(=O)NNC(=O)CCNC(=O)OC(C)(C)C	897686633	ITYXEOIXCBKUBZ-LLVKDONJSA-N	313.398	1.651	50	20	DDGD	
C[C@@]1(CNC(=O)c2cccn3nnnc23)C[C@H]1Br	899042257	MROIGWYGVVKPGJ-KCJUWKMLSA-N	310.155	1.028	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)N1CC[C@H](CO)[C@@H](O)C1	799000273	SXGPWQVIJRECQB-UPJWGTAASA-N	319.492	1.902	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCc2nc(C)cs2)n1	794073065	VRVCSCBAWOOCPP-UHFFFAOYSA-N	304.375	1.549	50	20	DDGD	
NC(=O)c1ccccc1CCC(=O)NNc1ccc(Cl)nc1	792644320	QJMADTKOXUNNAG-UHFFFAOYSA-N	318.764	1.910	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCO[C@@H](C(C)(C)C)C2)n1	793231942	TVCGTWGOKCLHGR-CYBMUJFWSA-N	320.393	1.491	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccoc1CC(N)=O	795948968	CZLNFRFTVCZCFK-UHFFFAOYSA-N	320.257	1.443	50	20	DDGD	
O=C(CCc1ccccc1O)NN=C1CC(=O)N2CCCC[C@H]12	799480237	QSKAANNEESZYQC-CQSZACIVSA-N	315.373	1.582	50	20	DDGD	
C[C@@]1(CCC(=O)NNC(=O)NC2CCCCC2)CCC(=O)N1	792797438	MPVRFMXTLZIJIR-HNNXBMFYSA-N	310.398	1.098	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2ccc(OCC(N)=O)cc2)n1	794564818	CKKFWWXOIBTCSZ-UHFFFAOYSA-N	312.329	1.018	50	20	DDGD	
CO[C@H](C(=O)NN=c1cc[nH]c2ccccc12)c1cnn(C)c1	799100031	DOCUSFGSZAKXKR-HNNXBMFYSA-N	311.345	1.221	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cccc(C(=O)OC)c1	1319118686	MFAPXJLISQXSDQ-UHFFFAOYSA-N	305.378	1.655	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cnn3ccccc23)cc1	1318427675	YDWCLGRQALONSH-UHFFFAOYSA-N	310.313	1.418	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2C[C@@H](OC(C)C)C2)cc1	1326782147	RQXNWXXDDFVORO-XBXGTLAGSA-N	321.377	1.595	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNc2ccn(C)n2)CCN1C(=O)OC(C)(C)C	1325385961	NUOMWZJVGRNRQR-GHMZBOCLSA-N	323.397	1.509	50	20	DDGD	
CCn1ccc(CC(=O)NNc2ccc(C(C)(C)C)nn2)n1	1326892517	FQHNXWKQHDDPQZ-UHFFFAOYSA-N	302.382	1.676	50	20	DDGD	
Cc1c(Br)cccc1C(=O)N1CC[C@@H](B(O)O)C1	585068910	INEVJYZYLSUNEN-SECBINFHSA-N	311.972	1.446	50	20	DDGD	
O=C(CCc1cncnc1)NNc1ccc2c(=O)[nH]ccc2c1	1325023875	ZVXDLOFBKACKBC-UHFFFAOYSA-N	309.329	1.394	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)[C@H]2CCCC23OCCO3)nn1	1322978242	GSTBDMCHXDQZOK-LLVKDONJSA-N	320.393	1.760	50	20	DDGD	
Cn1ccc(NNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])n1	1327550997	KUAOLHJORBAXKU-UHFFFAOYSA-N	303.322	1.749	50	20	DDGD	
O=C(NNC(=O)c1ncoc1[C@H]1CCCO1)NC1CCCC1	1339126648	QBNJLMCPGGYAID-SNVBAGLBSA-N	308.338	1.413	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1nc(C2CC2)n(-c2ccccc2)n1	1251498028	FBOJJLZBKVVFGR-UHFFFAOYSA-N	314.349	1.061	50	20	DDGD	
NC(=O)c1cnc(C(=O)NNc2cccc(F)c2)c(Cl)c1	1253831780	LENNXTSEBRVUMW-UHFFFAOYSA-N	308.700	1.730	50	20	DDGD	
O=C(CCO)NN=C1CCN(C2CC2)[C@H](c2ccccc2)C1	1331451702	FJSHYQFMYBKOGA-INIZCTEOSA-N	301.390	1.841	50	20	DDGD	
CC(C)C[C@@H]1CN(C)CCN1C(=O)NNC(=O)C1CCCC1	1340216626	BJKXYZDOTNBCIC-CQSZACIVSA-N	310.442	1.580	50	20	DDGD	
Cc1c(C#N)cccc1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1344677603	ZCYVMOKMGJNMFH-UHFFFAOYSA-N	323.356	1.543	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1348568225	MYUIPQFYINCCGN-LBPRGKRZSA-N	308.382	1.111	50	20	DDGD	
C[C@@]1(NC(=O)NNc2cccc(F)c2Cl)CCOC1=O	1349780736	VOOYCWUWDNPTBM-GFCCVEGCSA-N	301.705	1.811	50	20	DDGD	
C[C@@H](NC(=O)C1CCC(Cl)CC1)C1(S(C)(=O)=O)CC1	1521576343	RXNVUOBNNJKNCT-KPPDAEKUSA-N	307.843	1.866	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)C2(Br)CC2)c(F)c1	1608903872	XIHWNWBPCHVDLX-UHFFFAOYSA-N	317.114	1.895	50	20	DDGD	
O=C(O)Cc1cccc(C(=O)NNc2ccccc2[N+](=O)[O-])c1	1608783871	ASPLOTKJIMNVCJ-UHFFFAOYSA-N	315.285	1.979	50	20	DDGD	
COc1nccnc1NNC(=O)C1(C(=O)O)C(C)(C)C1(C)C	1604912135	QUQGNEVYFLLFEZ-UHFFFAOYSA-N	308.338	1.065	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cnc3nccnc3c2)c1	1608936187	DKUUHWUTHNHOBO-UHFFFAOYSA-N	309.285	1.480	50	20	DDGD	
C[C@@H](CC(F)(F)F)C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1603457500	FXGGBNPNOFNOAV-LURJTMIESA-N	315.259	1.293	50	20	DDGD	
O=C(O)c1cncc(C(=O)NNc2cnnc3ccccc23)c1	1608979952	CBESQIPZJBJUDI-UHFFFAOYSA-N	309.285	1.480	50	20	DDGD	
O=C(CCc1ccccc1C(=O)O)NNc1ccc(F)cn1	1601291027	STGFEQDDWFSSCH-UHFFFAOYSA-N	303.293	1.995	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2ccccc2C(=O)O)ccn1	1606533733	YTLWLXQFCIQGNZ-UHFFFAOYSA-N	315.285	1.323	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)Cc2cnn3ccccc23)cc1	1602127279	MFLKXVZDRGPTLY-UHFFFAOYSA-N	324.340	1.647	50	20	DDGD	
O=C(Cn1cc(C2CC2)cn1)NNc1ccc(F)c(C(=O)O)c1	1601383627	MIRWQOUKZFIXGE-UHFFFAOYSA-N	318.308	1.741	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)N[C@H]1C[C@H]2C[C@H](C(=O)O)C[C@@H]12	1601558143	MDIGPASEENKLBM-MKHNBGRSSA-N	324.768	1.860	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCOC[C@H]1CC(=O)O	1601044941	FJUWMLNNMFKSML-BWODNOAJSA-N	316.313	1.001	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1cccc(F)c1C(=O)O	1602720529	XLGSOZCNCOQTMO-LBPRGKRZSA-N	305.309	1.065	50	20	DDGD	
Cn1c(NNC(=O)[C@@H]2CCC[C@@H](C(=O)O)C2)nc2ccccc21	1610598243	GBKBUBKLIHMHIX-GHMZBOCLSA-N	316.361	1.907	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1cc(O)ccc1F	1549904851	NAQQMSXJKXCEAJ-NHYWBVRUSA-N	321.352	1.235	50	20	DDGD	
O=C(NN=Cc1ccc2ncccc2c1)[C@@H]1CN2CCC[C@H]2CO1	1549317254	WDQKNLAVJMJPDH-RDJZCZTQSA-N	324.384	1.548	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)ccc1Cl	1549322065	XCOVVPKJIDSJDK-DZGCQCFKSA-N	321.808	1.962	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@H]2CCC[C@H]2N)c1	1578420575	QMRGBQYXSOZZGZ-QWHCGFSZSA-N	305.382	1.351	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@]2(c3ccccc3)C[C@H]2Br)CCN1	1576763435	SMSFMANYWNNXGG-KYOSRNDESA-N	323.234	1.912	50	20	DDGD	
NCCCCCC(=O)NNC(=O)c1ccc(-n2cccn2)cc1	1580292685	JXUCXWXLJDRTDQ-UHFFFAOYSA-N	315.377	1.152	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)C3(C(=O)O)CC3)cc2C1	1589365865	ZJABPBUYGYNBBE-MRVPVSSYSA-N	322.386	1.499	50	20	DDGD	
CC[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)CCl	1847437182	RUJXDTIAUJFWRA-SDDRHHMPSA-N	316.829	1.224	50	20	DDGD	
O=C(c1ccns1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843363020	PGQFPMNMJNNTHQ-SECBINFHSA-N	317.773	1.495	50	20	DDGD	
O=C(c1cocn1)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846387195	RYYHLUJMLXBAPF-UHFFFAOYSA-N	318.160	1.295	50	20	DDGD	
COc1ccc(CCC(=O)NN=C2CC[C@@H](C(=O)O)C2)cc1	1599552364	CQSPPTFINCTGDB-GFCCVEGCSA-N	304.346	1.985	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)Nc2ccc(C(=O)O)cc2)c2ncnn21	1776045372	BWWLJKXPHSGTEM-MRVPVSSYSA-N	314.305	1.467	50	20	DDGD	
COc1cnccc1C(C)=NNC(=O)c1cccc(C(=O)O)c1	1776096042	IFGDXKLLTCIRAS-UHFFFAOYSA-N	313.313	1.942	50	20	DDGD	
CCOCCCNC(=S)NNC(=O)CNc1ccccc1	18920293	DWFDKFGXWCUYFW-UHFFFAOYSA-N	310.423	1.020	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1	158718209	OVWZRZYYJIOPQY-UHFFFAOYSA-N	316.317	1.517	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@H]2CCCCC2(C)C)n1	156810787	BUCSATHYGMSHKP-ZDUSSCGKSA-N	321.425	1.799	50	20	DDGD	
COC(=O)CCCN(C)S(=O)(=O)c1ccc(CCl)cc1	380065820	GRRKEYUYRPLNBH-UHFFFAOYSA-N	319.810	1.999	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2S(=O)(=O)CCl	867607609	QSRXHSXQUUKCKO-IUCAKERBSA-N	310.803	1.206	50	20	DDGD	
COCCNC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	54027626	BLTVMHJLRNCCJQ-SECBINFHSA-N	311.407	1.463	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)C1=Cc2ccccc2CC1	55617559	QMDNXCYYTFKBJU-LLVKDONJSA-N	308.403	1.970	50	20	DDGD	
Cc1ccc(F)cc1S(=O)(=O)NNC(=O)c1cccn1C	55574808	JNSSKQRZOUQTCY-UHFFFAOYSA-N	311.338	1.096	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2c(C)noc2Cl)c(O)c1	101648276	IIIPHKFLNUHHHR-UHFFFAOYSA-N	323.736	1.654	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)NCc1ccco1)N1CCCCC1	104328504	BOLLJIDNHULIDO-AWEZNQCLSA-N	322.409	1.621	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CCc2ccccc2O)nc1	107767918	VRUPRSMJZJAQIZ-UHFFFAOYSA-N	310.313	1.053	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1cn(C)cn1	179389509	PJIFANBZHQGENS-UHFFFAOYSA-N	308.725	1.157	50	20	DDGD	
Cc1ccc(NNC(=O)NC2CCN(C3CCCC3)CC2)nn1	176030472	OVOFLBKFZSXGSP-UHFFFAOYSA-N	318.425	1.818	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1ccc(C(F)(F)F)cc1	106416629	NKHPJGQMORDFJD-UHFFFAOYSA-N	312.251	1.432	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNc1ncccn1)c1cccnc1	175908263	IOMVCNUIESHWHL-ZDUSSCGKSA-N	300.366	1.938	50	20	DDGD	
C[C@H](Oc1cccnc1)C(=O)NNC(=O)Cc1ccccc1F	117658961	NTAXMHQEQYCWHP-NSHDSACASA-N	317.320	1.378	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccn2C)cc1C	171011442	HWIUMMYSKVZKSQ-UHFFFAOYSA-N	314.345	1.042	50	20	DDGD	
Cc1cccc(C(=O)N[C@H](C)C(=O)NNC(=O)CCC(C)C)c1	67190162	FHMCEINZTMDGJW-CYBMUJFWSA-N	319.405	1.697	50	20	DDGD	
O=C(CC[C@@H]1CCCO1)NNC(=O)NCCc1cccs1	65199683	OKIWMQYNEWZCRC-NSHDSACASA-N	311.407	1.580	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)c1ccccc1)c1ccc(C)o1	175695512	LAIQTBUTIXBDOS-CYBMUJFWSA-N	317.345	1.920	50	20	DDGD	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)NNC(=O)CN(C)C	113425689	VQOASALQBILGCP-SECBINFHSA-N	315.826	1.530	50	20	DDGD	
NS(=O)(=O)Cc1cccc(C(=O)NNc2cccc(F)c2)c1	178923591	PMXPRKILQRLWNW-UHFFFAOYSA-N	323.349	1.371	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)c1ccc[nH]1	116165744	XNQJQXNRHZANAB-IUCAKERBSA-N	305.284	1.858	50	20	DDGD	
O=Cc1ccc(C(=O)NNC(=O)c2cccc(OC(F)F)c2)[nH]1	176229253	ZBOSINKDGPZFTJ-UHFFFAOYSA-N	323.255	1.503	50	20	DDGD	
CC(=O)Nc1cc(NC(=O)NNC(=O)C(C)(C)C)ccc1F	179714612	PBJGRSJFEQTRFR-UHFFFAOYSA-N	310.329	1.983	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccco2)on1)NC1CCCC1	65919891	ZUNQKKOBXPIUQS-UHFFFAOYSA-N	304.306	1.821	50	20	DDGD	
CCn1cc(NC(=O)NNc2cnc3ccccc3n2)ccc1=O	171140038	KJLFIIWSTMBBIW-UHFFFAOYSA-N	324.344	1.960	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C(C)(C)Oc1ccc(F)cc1	110761681	SPAUHOUOWHZNAH-UHFFFAOYSA-N	320.324	1.476	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1nnc(C2CC2)n1C1CC1	110103766	RBUZFJTYPDFHNI-MRVPVSSYSA-N	323.422	1.528	50	20	DDGD	
O=C(CCCOCCc1ccccc1)NNc1cccnn1	172369332	BFZLHVYDYYGXSF-UHFFFAOYSA-N	300.362	1.959	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc(Cl)nc2)c1O	119487766	LQJGHGWHKHBCFD-UHFFFAOYSA-N	305.721	1.824	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	65212115	YDWJSOKKIAHRMW-UHFFFAOYSA-N	319.283	1.686	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)c2ccc(C#N)cc2)CCS1	175396151	YSBJJPMLMPXMTE-UHFFFAOYSA-N	318.402	1.740	50	20	DDGD	
CCc1n[nH]c(=O)c(C(=O)NNc2ccncc2Cl)c1CC	129850099	NMBNOOBEWHJDAG-UHFFFAOYSA-N	321.768	1.700	50	20	DDGD	
CCOC1CC(CCNC(=O)NNc2cccc(OC)n2)C1	189628157	PCERKIJAUQSJKC-UHFFFAOYSA-N	308.382	1.922	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)CCc2ccccc2O)on1	73111534	WFXVZSMDIQYEHU-UHFFFAOYSA-N	317.345	1.897	50	20	DDGD	
CCN(CC)CCOc1ccc(C(=O)NN(C)C(N)=O)cc1	182658875	JWKGWABLBYTLOV-UHFFFAOYSA-N	308.382	1.063	50	20	DDGD	
CCn1c(=O)c(=O)[nH]c2cc(C(=O)NNc3ccccc3)ccc21	70716712	VQMMITWZAPCDHC-UHFFFAOYSA-N	324.340	1.467	50	20	DDGD	
O=C(Cc1cc2ccccc2[nH]c1=O)NNc1ccnc(F)c1	182505739	REVNTACJKWAPOE-UHFFFAOYSA-N	312.304	1.748	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C)ccc1Cl	124811061	IXLFPRJZGSAAGZ-VIFPVBQESA-N	311.769	1.780	50	20	DDGD	
Cc1c(NC(=O)C(=O)NNc2ccccn2)cccc1[N+](=O)[O-]	181420252	STDJQDNEYXQHBM-UHFFFAOYSA-N	315.289	1.380	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1ccc[nH]1)CN1CCCCC1	127452784	QGYFISYFDNDPIT-LBPRGKRZSA-N	307.398	1.081	50	20	DDGD	
CC(C)Cn1cc(C(=O)NNC(=O)NC2CCCCC2)cn1	182608501	WKKXASLXJUFBRY-UHFFFAOYSA-N	307.398	1.816	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NNC(=O)C(C)(C)C	72967964	PAOWXHHFLNPVDJ-UHFFFAOYSA-N	300.790	1.546	50	20	DDGD	
CC(C)OCCCC(=O)NNc1nc2ccccc2c(=O)[nH]1	182732750	ISXDKEXXNRQMOT-UHFFFAOYSA-N	304.350	1.571	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)Cn2cccn2)c1C	184241623	UAUHIWKSXMMKNY-CYBMUJFWSA-N	316.361	1.115	50	20	DDGD	
CN1C[C@H](C(=O)NNc2ncc(Cl)cc2Cl)CC1=O	132739242	QRGOQUGYVWFNSZ-ZCFIWIBFSA-N	303.149	1.310	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cc(OCC(F)F)ccn1	182662169	IMHDFJMIEGDFLQ-UHFFFAOYSA-N	301.293	1.533	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=O)c1ccc(OCC)c(OC)c1	184999914	GSBYQRWYGWXMTG-UHFFFAOYSA-N	318.373	1.904	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc2[nH]ccc2c1	180966084	GFADSRAOCPWDCP-UHFFFAOYSA-N	302.334	1.300	50	20	DDGD	
O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)Nc1ccccc1	43466662	NFKZLDBGCFXOMH-UHFFFAOYSA-N	323.316	1.129	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1csc(-c2ccco2)n1	44025382	XPSGUPSMVRZOGO-UHFFFAOYSA-N	308.388	1.698	50	20	DDGD	
O=C(NNC(=O)c1ccncc1C(F)(F)F)c1ccncc1	193051419	BXKQMIUQJOQHIN-UHFFFAOYSA-N	310.235	1.570	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C[C@@H]2CCCCO2)c1	86977827	YDWIZZBINQZKET-AWEZNQCLSA-N	320.389	1.789	50	20	DDGD	
O=C(CCc1cccnc1)NNc1nc2ccccc2c(=O)[nH]1	137216343	QEEQORBCQYCJDJ-UHFFFAOYSA-N	309.329	1.394	50	20	DDGD	
Cc1ncc([N+](=O)[O-])cc1C(=O)NNc1ccc([N+](=O)[O-])cc1	133967243	QTEYNDMRCXFREM-UHFFFAOYSA-N	317.261	1.963	50	20	DDGD	
Cc1ccn(CC(=O)NNc2cc(F)c(F)c(F)c2)c(=O)c1	194941375	GPJPBVMLIQLWMN-UHFFFAOYSA-N	311.263	1.717	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2nc3ccccn3n2)cc(O)n1	191906481	FMPLUIYXSYAZJG-UHFFFAOYSA-N	312.333	1.710	50	20	DDGD	
C[C@H](Cc1ccccc1F)C(=O)NNC(=O)Cc1ccncc1	81027300	OLGWELXDZFKNNK-GFCCVEGCSA-N	315.348	1.789	50	20	DDGD	
C=CCNC(=O)c1ccc(NC(=O)NNc2cnccn2)cc1	92430981	PHEJFCCBSSCRSW-UHFFFAOYSA-N	312.333	1.541	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2cccn2C)c1	97635751	JWNIWYGVHXSLHX-UHFFFAOYSA-N	301.346	1.482	50	20	DDGD	
Cc1ccc(NCC(=O)NN=C2C(=O)N(C)c3ccccc32)cc1	254449139	MSNRMFGHVLDREJ-UHFFFAOYSA-N	322.368	1.904	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)n1	254790285	BNTRVQVADDUYIL-UHFFFAOYSA-N	317.305	1.264	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C(C)(C)c1ccccc1)[C@@H]1CCOC1	266784788	RUTPHNYOPQCSAE-QWHCGFSZSA-N	319.405	1.720	50	20	DDGD	
CC(C)CCC(=O)NCC(=O)NNC(=O)Cc1ccc(F)cc1	263861087	IJWPHWUNMDWQFH-UHFFFAOYSA-N	323.368	1.068	50	20	DDGD	
CN(CCNC(=O)NNC(=O)C1CCC1)Cc1ccccc1	264702482	HFSRLJZBFCYUDC-UHFFFAOYSA-N	304.394	1.249	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1csc(NC2CC2)n1	269265240	LOXKNQJTSMUMCU-UHFFFAOYSA-N	310.770	1.918	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNC(=O)NC1CCCC1	266168293	VHSRIYJVPMSICW-SNVBAGLBSA-N	321.425	1.489	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H]1CCN(c2cccc(OC)c2)C1	263980260	IOGJGLYKOYDTBP-YPDDLIOESA-N	315.373	1.834	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CN1CCCCC1=O)c1ccccc1	264609619	GARTUTGBTLFAMK-UHFFFAOYSA-N	317.389	1.124	50	20	DDGD	
CCCC[C@H](NNC(=O)COc1ccccc1OC)C(=O)OC	270541711	CHXDWROUWLFWPD-LBPRGKRZSA-N	324.377	1.427	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@@H]1CCn2cncc2C1	365665318	BCIWSNJSAAGGCF-SECBINFHSA-N	319.296	1.636	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C2=C(C)OCCC2)nc1C	272227722	VFBBOUWUYJQNBX-UHFFFAOYSA-N	320.349	1.489	50	20	DDGD	
COc1ccc(NC(=O)CN2CC=C(C#N)CC2)c(OC)c1	272598778	GVYUCISQAIUGJM-UHFFFAOYSA-N	301.346	1.798	50	20	DDGD	
COCCOc1cccc(/C=C/C(=O)NNC(=O)NC2CC2)c1	275473278	XYEGGJJPMYNZSW-VMPITWQZSA-N	319.361	1.218	50	20	DDGD	
O=C(NNc1nnc(C2CC2)s1)[C@@H]1CCc2cn[nH]c2C1	273651193	YESWALVMNYUAEW-MRVPVSSYSA-N	304.379	1.387	50	20	DDGD	
C=C(C)[C@H](CC(=O)NNC(=O)c1cccc(N(C)C)c1)OCC	270138214	QWEDCCQDRKDIIO-HNNXBMFYSA-N	319.405	1.885	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2C[C@H](C)O[C@H](C3CC3)C2)n1	279581749	BOVYOEKXLBGDJH-FZMZJTMJSA-N	318.377	1.244	50	20	DDGD	
CSCc1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)cc1	271751829	YYOWECIRDSDKSV-UHFFFAOYSA-N	323.418	1.682	50	20	DDGD	
CC1=C(C(=O)NNC(=O)CSc2ccccc2O)CCCO1	270710544	OKJPRZZKXVBSGY-UHFFFAOYSA-N	322.386	1.716	50	20	DDGD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NNc1nc(-c2ccncc2)no1	280122629	BTEULBYITUBOOS-KOLCDFICSA-N	315.333	1.580	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNC(=O)c1ccc(Cl)nc1	289273195	NTFVFPVJXPXJET-MRVPVSSYSA-N	313.741	1.085	50	20	DDGD	
CCCC[C@H](C)C(=O)NNC(=O)[C@H]1COc2ccccc2O1	282556872	NNTUOPVKPMTESS-SMDDNHRTSA-N	306.362	1.800	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H]2CC(C)(C)OC2(C)C)n1	280139214	DQFRTMUKTCNJPV-LBPRGKRZSA-N	320.393	1.680	50	20	DDGD	
O=C(CC1OCCCO1)NNc1ccc(C(F)(F)F)nn1	281150790	JYTJKKZWAVOVIW-UHFFFAOYSA-N	306.244	1.092	50	20	DDGD	
Cc1cc2c(cc1NC(=O)NNC(=O)[C@@H]1CCCO1)OCO2	296939844	VFZABEAQRUMBGD-JTQLQIEISA-N	307.306	1.055	50	20	DDGD	
C[C@H](OC1CCCCCC1)C(=O)NNC(=O)N=c1cc[nH]cc1	802036210	RYJGKFSDUGVNTN-LBPRGKRZSA-N	320.393	1.784	50	20	DDGD	
Cc1ccccc1C(C)(C)C(=O)NNC(=O)N=c1cc[nH]cc1	802031776	IYILJOOCWPNHKM-UHFFFAOYSA-N	312.373	1.942	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2cccc(F)n2)cc1F	807392402	NVKDPYVYUSQVHT-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNc1ccc(C(F)(F)F)cn1	807267664	AIDZDEKYUGMGAP-UHFFFAOYSA-N	312.251	1.765	50	20	DDGD	
O=C(CCc1ccc(O)cc1)NNc1ccc(-n2ccnc2)nn1	804954198	LSUGJYZYQIYRKS-UHFFFAOYSA-N	324.344	1.444	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1ccn2ccnc2c1	296942376	BRLOYFZSEGOIJT-LLVKDONJSA-N	303.322	1.056	50	20	DDGD	
CC(C)(CC(=O)NNC(=O)COc1ccc(C#N)cc1)C1CC1	292580698	DLEDWTPDRFYRSS-UHFFFAOYSA-N	315.373	1.911	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2cn(C(C)C)nn2)cc1	807952611	OMMVNHNQGXBQJF-UHFFFAOYSA-N	301.350	1.697	50	20	DDGD	
Cc1[nH]c(C=NNC(=O)COc2ccccc2F)cc1C(=O)O	800805762	BLVFZSSMOGYWDL-UHFFFAOYSA-N	319.292	1.690	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)ccc1C	294014305	WDRMURGRIASNLS-HZMBPMFUSA-N	304.346	1.526	50	20	DDGD	
COc1cc(CC(=O)NNC(=O)CC2CCCC2)ccc1O	294755277	ATDLQDAFVOOOJB-UHFFFAOYSA-N	306.362	1.671	50	20	DDGD	
O=C(NNC(=O)c1ccc(-c2nc[nH]n2)cc1)Nc1ccccc1	801991899	ZUAHIAKUFPDSCY-UHFFFAOYSA-N	322.328	1.938	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H]2CCCCN2C)cc1	802052973	YJWOQWGINFAKON-CYBMUJFWSA-N	306.366	1.332	50	20	DDGD	
CC[C@@H](OC)C(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1	299411347	QWMCBUJCOTZQHV-GFCCVEGCSA-N	324.377	1.668	50	20	DDGD	
COCCN(C)NC(=O)C(C)(C)Cc1nc2ccccc2[nH]1	293545097	GJVMXJZRJBYIJM-UHFFFAOYSA-N	304.394	1.741	50	20	DDGD	
CCCOc1ccc(S(=O)(=O)NNC(=O)NC(C)C)cc1	299351312	QICYOJYCIVZIFS-UHFFFAOYSA-N	315.395	1.376	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1ccc2oc(O)nc2c1	807045730	BVLAUHUFYMYDEE-UHFFFAOYSA-N	304.693	1.761	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2CCc3cncn3C2)cc1	816821252	SBKIGJMUNVLZTR-CQSZACIVSA-N	312.373	1.469	50	20	DDGD	
CO[C@H]1CCC[C@@H](C(=O)NNC(=O)Cc2ccc(F)cc2)C1	814368445	DKJPIMDOOQAPIM-OCCSQVGLSA-N	308.353	1.721	50	20	DDGD	
O=C(NN=Cc1cscc1C(F)(F)F)C(=O)N1CCCC1	811640048	MTPLHVRTPLWQOK-UHFFFAOYSA-N	319.308	1.839	50	20	DDGD	
N[C@@H](C(=O)NNc1nc(-c2ccc(Cl)cc2)no1)C1CCC1	817938120	DVVDRANMGGJILM-LLVKDONJSA-N	321.768	1.961	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCCCCC(=O)C1	811385543	MJIDWSHPMMUJCI-QWRGUYRKSA-N	312.366	1.015	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC(C)C)ccc1-n1cccn1	817524098	NQNCQACNTAKZOR-UHFFFAOYSA-N	301.350	1.533	50	20	DDGD	
CN(NC(=O)CNC(=O)c1cc(-c2ccccc2)on1)C1CC1	819648189	YARIVVYIHBGMTR-UHFFFAOYSA-N	314.345	1.197	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)CCc1ccc(Cl)cc1	818046736	CECJADGWBIHKHB-UHFFFAOYSA-N	318.826	1.879	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)c2ccccc2)C[C@H](CC)O1	817152953	PLKXENIPAJLGAA-KBPBESRZSA-N	305.378	1.930	50	20	DDGD	
CCCc1[nH]ccc1C(=O)NNC(=O)COc1ccccc1F	817512971	KUWYMKYOXGZWJG-UHFFFAOYSA-N	319.336	1.946	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=C2CCC[C@H](C#N)C2)C[C@@H](C)O1	814766898	SRGARABSWJMUCX-XQLPTFJDSA-N	320.437	1.918	50	20	DDGD	
CC(C)NC(=O)c1ccc(C(=O)NNc2ncncc2F)cc1	817078556	KBVQWLAYZBFLSS-UHFFFAOYSA-N	317.324	1.511	50	20	DDGD	
Cn1ncc(C=NNC(=O)Cc2cccc3ccccc23)c1N	814792613	VMRPULZLZLIBRI-UHFFFAOYSA-N	307.357	1.848	50	20	DDGD	
CC[C@H](O)CN(CC(=O)NNC(=O)C(C)C)Cc1ccccc1	828428052	HECZTZDLKKJBOK-HNNXBMFYSA-N	321.421	1.063	50	20	DDGD	
Cc1cccc2c1CCN(C(=O)NNC(=O)[C@H]1CCO[C@H]1C)C2	827301430	WQFYNVXQCWDFPX-WFASDCNBSA-N	317.389	1.519	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C	726616953	XJWIUAICXJGMMS-RYUDHWBXSA-N	312.414	1.152	50	20	DDGD	
CNC(=O)NNC(=O)[C@@H]1CCCCCN1C(=O)OC(C)(C)C	495546450	SGEZGYWWHSKBRD-JTQLQIEISA-N	314.386	1.126	50	20	DDGD	
CCOc1cc(C(=O)N(C)C)ccc1NC(=O)NN(C)C1CC1	824226682	ZDDWLIBFBRQNCO-UHFFFAOYSA-N	320.393	1.918	50	20	DDGD	
CSCCNC(=S)NNC(=O)/C=C\c1scnc1C	492712025	FSYUHRWRWLQCBU-ARJAWSKDSA-N	316.477	1.323	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2cc(C(F)(F)F)ccn2)CO1	827618995	VLPFEIFUBSKAKX-VXNVDRBHSA-N	304.272	1.904	50	20	DDGD	
O=C(Cc1ccsc1)NN=Cc1ccc(-c2nn[nH]n2)o1	823115887	WLOMJSRVXDZMMR-UHFFFAOYSA-N	302.319	1.214	50	20	DDGD	
CC(C)=CCC/C(C)=C/C=NNC(=O)[C@H](C)NS(C)(=O)=O	728437335	QMRFABGJZYXFKC-XFJBPTMWSA-N	315.439	1.719	50	20	DDGD	
C[C@@H](CC(=O)O)C(=O)NNC(=O)c1cccc(C(F)(F)F)c1	827303548	GTSZYJNYXLRDAL-ZETCQYMHSA-N	318.251	1.577	50	20	DDGD	
CCOC(=O)Nc1ccc(C(=O)NN=c2cc[nH]cc2)cc1	494975443	ZWDRJHWUZFMEDI-UHFFFAOYSA-N	300.318	1.829	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CC(C)(C)C	491142767	WGOOPFRJFDATCX-SECBINFHSA-N	301.387	1.483	50	20	DDGD	
CSCc1cccc(CNCc2ccc(B(O)O)cc2F)c1	585036554	IPUHMNUQAUPBBL-UHFFFAOYSA-N	319.210	1.658	50	20	DDGD	
CC(C)[C@H]1CCC[C@@H](NC(=O)c2cc(B(O)O)ccc2F)C1	584942190	JQQAIPPGHWXZKH-WCQYABFASA-N	307.174	1.450	50	20	DDGD	
CSC[C@@H](CCO)NC(=O)/C(C#N)=C/c1ccc(O)cc1	491100919	BYELWDOVRFOGOR-YQCJOKCJSA-N	306.387	1.529	50	20	DDGD	
C[C@H]1CCc2[nH]nc(C(=O)NNC(=O)NCC(F)(F)F)c2C1	907966728	ICJPMRXLQXSLGR-LURJTMIESA-N	319.287	1.041	50	20	DDGD	
C[C@]1(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C[C@H]1Br	906458324	DXFLOZJDRRCRQO-UZWSLXQKSA-N	317.227	1.139	50	20	DDGD	
Cn1ccnc1[C@@H](NS(=O)(=O)CCl)c1ccccc1F	829829333	VSVXJOATZLBPHM-NSHDSACASA-N	317.773	1.764	50	20	DDGD	
O=C(NC(C1CCC1)C1CCC1)c1ccc(B(O)O)c(F)c1	584989032	JJXCSVAQVSPWOY-UHFFFAOYSA-N	305.158	1.204	50	20	DDGD	
CC1=C(C)C(=O)N(CCC(=O)NNc2ccccc2F)C1=O	901161539	CMKYLZVJYHSTJB-UHFFFAOYSA-N	305.309	1.364	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc2c(c1)CCCC2	901966625	QFBPBCNZLBAHLK-UHFFFAOYSA-N	320.414	1.678	50	20	DDGD	
C[C@@H](O)CN(CC(F)F)C(=O)/C(C#N)=C\c1ccc(O)cc1	491080823	FMZLWFNJSAORSP-GWHHBTOMSA-N	310.300	1.774	50	20	DDGD	
C#CCN1CCC(C(=O)OC[C@H](C)CBr)CC1	490842035	YDFJVTMNGJXZJD-LLVKDONJSA-N	302.212	1.906	50	20	DDGD	
CCC(C)(C)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	736314056	QQEUATOSGAOKRG-UHFFFAOYSA-N	307.358	1.857	50	20	DDGD	
Cc1ccc(F)c2c1C(=NNC(=O)c1ccc(N)cc1)C(=O)N2	732710196	HFKBYNQQPIGGTJ-UHFFFAOYSA-N	312.304	1.803	50	20	DDGD	
CCn1ccnc1[C@H](C)NC(=O)NNc1ccc(Cl)nn1	836628165	RIQQCUCEXPYBLU-QMMMGPOBSA-N	309.761	1.734	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)[C@H]2CCCCO2)c2ccccc21	833235312	AYZNBAIZYPUHGL-DZGCQCFKSA-N	316.357	1.463	50	20	DDGD	
CC(C)CCOc1ccccc1NCc1ccc(B(O)O)o1	585045522	IRXLRIKYOQKBTR-UHFFFAOYSA-N	303.167	1.996	50	20	DDGD	
CCOC(=O)[C@@H](Cc1ccccc1)N(C)S(=O)(=O)CCl	830422390	AXASFTUUNQAMLJ-GFCCVEGCSA-N	319.810	1.619	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1	585026669	PXNYJJFGACTXPK-OLZOCXBDSA-N	315.144	1.825	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1cnc(C2CC2)o1	900384187	AWEVDMPTLXAZCB-UHFFFAOYSA-N	320.374	1.800	50	20	DDGD	
O=C(c1cc2c(Cl)cncc2s1)N1CC[C@H](B(O)O)C1	902552764	UPVJWORHRBDDRR-ZETCQYMHSA-N	310.571	1.639	50	20	DDGD	
Cc1ccc(C[C@@H](C)NC(=O)c2ccc(B(O)O)cc2)s1	584950189	QFDJZGKVTKGUFK-SNVBAGLBSA-N	303.192	1.097	50	20	DDGD	
CN(C(=O)c1cccc(B(O)O)c1)[C@H]1CCCc2ccccc21	584926870	FEYAZYKMLHNFKH-KRWDZBQOSA-N	309.174	1.516	50	20	DDGD	
CCn1cc(Br)cc1C(=O)NN(C)CCOC	837622757	JDOCNWASPMUGSU-UHFFFAOYSA-N	304.188	1.494	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(C)cc(Br)n1	836760628	HYCMRXTXNSTTNE-UHFFFAOYSA-N	301.144	1.715	50	20	DDGD	
CCNC(=O)N1CC[C@H](NC(=O)[C@@]2(C)C[C@H]2Br)C1	907000507	MUBDXXBNKQWBLE-SBMIAAHKSA-N	318.215	1.080	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NCC(C)(C)C(C)(C)O	836652523	CGTRTMZSOKRKOP-UHFFFAOYSA-N	321.421	1.665	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)C1CN(C2CCCCC2)C1	837598689	VBOTWOFFHNNUAA-UHFFFAOYSA-N	322.331	1.144	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cccc2cccnc12	831099431	GVADYFRBMURIHP-PWSUYJOCSA-N	314.345	1.813	50	20	DDGD	
N#Cc1cccc(NNC(=O)N[C@H]2CCCN(C(=O)O)C2)c1	739134067	UKFDPSKRACNCOL-LBPRGKRZSA-N	303.322	1.327	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1cc(F)c(F)cc1F	836382123	ZJSKNQATMSRFFM-NSHDSACASA-N	317.267	1.826	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1nc(-c2cccnc2)no1)[C@@H](C)N	831890582	NFXDAUOOCINJSO-KOLCDFICSA-N	304.354	1.194	50	20	DDGD	
Cc1cc(C)c(NC(=O)NNC(=O)Cc2cc[nH]n2)c(C)n1	836632832	QDRWCHJBLYOXBO-UHFFFAOYSA-N	302.338	1.125	50	20	DDGD	
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NNc1cccc(C(=O)O)c1	833627436	SARSKCQUFYSKAV-YGRLFVJLSA-N	318.377	1.494	50	20	DDGD	
CC(C)c1ccccc1NC(=S)NNC(=O)[C@@H](O)C1CC1	834742531	SNWJYUXDSKQACW-ZDUSSCGKSA-N	307.419	1.899	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)N=c1cc[nH]cc1)[C@H]1C[C@H]2CC[C@H]1C2	837321648	YJSTUPPHIFTQRR-OWTLIXCDSA-N	317.393	1.664	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2CCN(c3ccccc3)C2)n1	830961756	GQWIWYBOWZLXQJ-AWEZNQCLSA-N	324.384	1.678	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	916111187	BDBZLXOJLUGEPV-KCQAQPDRSA-N	320.389	1.643	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=Cc1cc(F)ccc1F	915957796	VUUPCKUYWQCOMI-UHFFFAOYSA-N	324.312	1.442	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2sc(C)nc2C)n1	746768480	XKOOMTUEOADFBN-UHFFFAOYSA-N	322.394	1.693	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CCn2cccc2)cc1	748022964	ZUDQCWPUGWHPFR-UHFFFAOYSA-N	300.362	1.446	50	20	DDGD	
Cn1ncc2c1CCCN(CCI)C2	839623870	AOYHXFWUZVTVRC-UHFFFAOYSA-N	305.163	1.603	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNc2nc[nH]n2)cc1OC	839768501	CCAOBVOICNXQCN-VIFPVBQESA-N	305.338	1.144	50	20	DDGD	
CC[C@@H]1C[C@H]1CNC(=O)NNC(=O)COc1ccc(C#N)cc1	838665490	LMJKMIVYTMUNQH-OLZOCXBDSA-N	316.361	1.314	50	20	DDGD	
Cc1cc(O)cc2c1C(=O)C(=NNC(=O)CC(F)(F)F)O2	917551934	MULDGUCKGFXANW-UHFFFAOYSA-N	302.208	1.658	50	20	DDGD	
CCn1c(O)nc2ccc(C(=O)NNC(=O)C3CCC3)cc21	847482742	RKTGWHKWSYRGCF-UHFFFAOYSA-N	302.334	1.323	50	20	DDGD	
COC(=O)c1ccc(/C=C(/C#N)S(=O)(=O)NC2CC2)cc1F	849250027	PAFMKVMQRQBHKV-WDZFZDKYSA-N	324.333	1.559	50	20	DDGD	
CCOC(=O)c1ccc(C=NNC(=O)Cc2ccncc2)o1	748248108	GSIOYUZTTIIDGG-UHFFFAOYSA-N	301.302	1.544	50	20	DDGD	
N#Cc1ccc(NNC(=O)N[C@@H]2CCNC2)c(C(F)(F)F)c1	841940795	IITMKDSTIOJUMF-SECBINFHSA-N	313.283	1.565	50	20	DDGD	
O=C(NN=CC[C@@H]1CCCCC12OCCO2)c1ncccn1	841664583	YUNVROYMTLSGFO-LBPRGKRZSA-N	304.350	1.516	50	20	DDGD	
O=C(NCC(Cl)Cl)[C@@H]1CCS(=O)(=O)c2ccccc21	848384167	BCSIGYDEBIRJQQ-SECBINFHSA-N	322.213	1.868	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccccc1NC(=O)C(C)(C)C	910167773	KCLITIPRLVUAMP-NSHDSACASA-N	307.394	1.629	50	20	DDGD	
CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NNC(=O)NCC1CC1	748232493	ZKRPQSQWHSWVQH-LBPRGKRZSA-N	324.425	1.154	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H](C[C@@H]1CCCO1)C(F)(F)F	845302554	VHRUAHALVJOWKB-DTWKUNHWSA-N	311.304	1.474	50	20	DDGD	
CCN1CCC(=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)[C@@H](C)C1	741453961	AKTQOBGXJXIBBW-JTQLQIEISA-N	319.365	1.625	50	20	DDGD	
COCC[C@@H](C)CNC(=O)NNC(=O)Cc1ccccc1F	840398209	DPLMTUZDAISTGO-LLVKDONJSA-N	311.357	1.371	50	20	DDGD	
C=CC[C@@H](C)NC(=O)NNc1ncc(Br)cn1	848645441	MWBDYVAREFEIFO-SSDOTTSWSA-N	300.160	1.830	50	20	DDGD	
CN(NS(=O)(=O)c1ccccc1C=O)C(=O)OC(C)(C)C	841551795	MQNKCMLRSICLMO-UHFFFAOYSA-N	314.363	1.559	50	20	DDGD	
COc1cncc(/C=C(/C#N)C(=O)NCCCOC(C)C)c1	849179847	XMVAIPSVFYZXKG-AUWJEWJLSA-N	303.362	1.928	50	20	DDGD	
O=C(NN=Cc1csc(-c2ccccn2)n1)c1cnccn1	915959744	JFEKCNNQOUNUCV-UHFFFAOYSA-N	310.342	1.759	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)[C@@H]1CCCS(=O)(=O)C1	846247233	QFARVDCSAJXUNH-SNVBAGLBSA-N	316.810	1.916	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@H]1CCN[C@@H](C)C1	841989254	ZQWJLCCDLLXQGX-JSGCOSHPSA-N	304.394	1.008	50	20	DDGD	
C#CC1CCN(C(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)CC1	844048531	MDPISOOAXAVKQE-CXUHLZMHSA-N	306.369	1.984	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@H]2CCO[C@@H]2C)c(OC)c1OC	842554849	MMRPVHFFLVXKSY-PWSUYJOCSA-N	322.361	1.588	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)N[C@H](C)CN)cc2C1	841968862	DPUKTLQBKNSIGK-RKDXNWHRSA-N	310.423	1.164	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2nnc(O)c3ccccc23)CCN1C	741455805	FHMKYKZFHSMLHC-JTQLQIEISA-N	313.361	1.535	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccc2oc(C3CC3)nc2c1	841033683	SBMPZSZEJCCBDR-UHFFFAOYSA-N	317.349	1.597	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@H]1CCC[C@@H](N)C1)c1ccccc1	841981292	YFGPENXZBYOGGJ-ILXRZTDVSA-N	318.421	1.781	50	20	DDGD	
CCc1ccccc1OCCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843652291	AOCMZIMTHGBUFF-OCCSQVGLSA-N	320.389	1.590	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC(F)(F)C1)c1cccc(Cl)n1	857323805	ZKDOIZXSOGEALV-SSDOTTSWSA-N	303.696	1.931	50	20	DDGD	
CCC(N)(CC)CNC(=O)NC[C@@]1(C)C[C@@H]1Br	857104635	VEVHHPKBRUYVIH-GXSJLCMTSA-N	306.248	1.977	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H](c2cncn2C)N(C)C)c1	857474295	ZSMAURBFIUPEJK-CQSZACIVSA-N	321.356	1.314	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)N[C@H]2CCCCC23CCCC3)N1	858479021	HICKGGMHRAZFCX-NEPJUHHUSA-N	322.409	1.098	50	20	DDGD	
Cn1ncc(C2CC2)c1C=NNC(=O)Cc1cn2ccccc2n1	853312984	BIQFGRWRIDMGLC-UHFFFAOYSA-N	322.372	1.638	50	20	DDGD	
COc1ccc(OC)c(CC(=O)NNC(=O)c2ccccn2)c1	921184228	WBDXDQXKAYGMDK-UHFFFAOYSA-N	315.329	1.103	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccnc(Cl)c2)[C@H]2CCCC[C@@H]2N1	855466000	FVEFLJVIKBITLQ-WOPDTQHZSA-N	322.796	1.873	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1nc2ccccc2n1C	755576120	IYGVMNNPAGZKIP-UHFFFAOYSA-N	301.394	1.755	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2[C@H]3CCCCCC[C@H]32)n1	854231664	IXSKBZSQTPMGPD-FOLVSLTJSA-N	318.421	1.864	50	20	DDGD	
O=C(Cn1cc2ccccc2n1)NNC(=O)OCC(F)(F)F	856023892	ZNGNKQJQTJYDRK-UHFFFAOYSA-N	316.239	1.356	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)c1c(C)c(C)nn(C)c1=O	855367543	WPAAIHSMRSOCDZ-UHFFFAOYSA-N	304.325	1.602	50	20	DDGD	
CCc1nc(C)c(C(=O)NNc2cc(Cl)nc(N)n2)s1	753454061	DFSHKUOXJIZILG-UHFFFAOYSA-N	312.786	1.796	50	20	DDGD	
COC(=O)[C@@H]1[C@H]2CN(C[C@@H](CBr)C3CC3)C[C@H]21	859313510	XIYNDYYUXGCTDV-WYUUTHIRSA-N	302.212	1.758	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21	929331579	VMZGRTNPQLBRGD-WMKFIOFKSA-N	302.349	1.808	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H]2CC23CCC3)c1	759990071	IBPZAVVCQPOAOF-ZDUSSCGKSA-N	316.357	1.489	50	20	DDGD	
CCCn1cc(C(=O)NNc2cccc(C(=O)OC)c2C)nn1	855625877	LWJFDTKKEZHQBO-UHFFFAOYSA-N	317.349	1.540	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CCc3nnc(C)n3C2)cc1F	856230680	YHOQOHQYVMOWSA-LLVKDONJSA-N	303.341	1.740	50	20	DDGD	
C[C@H](C(=O)NNC(=S)NCC1CCC1)C(=O)OC(C)(C)C	855092340	AQPJZVUSWWVUTM-SECBINFHSA-N	315.439	1.260	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)[C@H]1CCc2nnc(C)n2C1	750789198	RJIFZHIRSWLGIQ-NSHDSACASA-N	303.341	1.740	50	20	DDGD	
C[C@@H]1C[C@H](CO)CN(C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	856957559	AJZFZXFPVRNDAW-MPPDQPJWSA-N	319.243	1.820	50	20	DDGD	
C[C@]1(CNS(=O)(=O)CCCCC#N)C[C@@H]1Br	856757692	ZCFKIVLUCUXSAY-VHSXEESVSA-N	309.229	1.773	50	20	DDGD	
Cc1ccoc1CC(=O)NNC(=O)[C@H]1COc2ccccc2O1	854180580	NIBRUELFTUHTEA-CQSZACIVSA-N	316.313	1.118	50	20	DDGD	
CCn1cc([C@@H](C)NC(=O)NNc2ncc(Cl)cn2)cn1	856913512	KXSJRRMLCHJXHG-MRVPVSSYSA-N	309.761	1.734	50	20	DDGD	
O=C(CCC(=O)c1c(F)cccc1F)NNC(=O)CC1CC1	854666312	SYWPUIWPGMAHBO-UHFFFAOYSA-N	310.300	1.875	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCCN1CCOC(C)(C)C1	853608899	AFGDMZAYYLYCQW-UHFFFAOYSA-N	324.400	1.871	50	20	DDGD	
CN1CCCC[C@@H]1C(=O)NNc1ccc(C(F)(F)F)nn1	755197282	HOXSVQFYPHUWJY-MRVPVSSYSA-N	303.288	1.423	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)CCC[C@@]1(C)NC(=O)NC1=O	855366291	ACTOIBRYWYVJMX-OAHLLOKOSA-N	322.340	1.346	50	20	DDGD	
C[C@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)Cc1ccc(F)cc1	759765342	ANZMBMGMRCHXCY-YPMHNXCESA-N	323.368	1.514	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cccc(OCC#N)c2)n[nH]1	755932305	KYFZHATXDNIMON-UHFFFAOYSA-N	314.305	1.087	50	20	DDGD	
Cc1nnc2n1C[C@@H](C(=O)NNc1cccc([N+](=O)[O-])c1)CC2	750789475	UMHKODURXQCVDD-JTQLQIEISA-N	316.321	1.200	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccnn1C1CCCC1	765765450	DUUSTCOWTKSRSR-UHFFFAOYSA-N	313.361	1.397	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)C1Cc2ccccc2C1	762841527	HEDNSTFOCZNXLJ-UHFFFAOYSA-N	309.369	1.661	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H](O)[C@@H](C)c2ccccc2F)cc[nH]1	869388986	UKMGYEMNODFTFH-XHDPSFHLSA-N	303.337	1.559	50	20	DDGD	
C[C@@H](CCc1ccc(F)cc1)C(=O)NNC(=O)Cc1cc[nH]n1	865198973	OAJMWXYIWONIEZ-NSHDSACASA-N	318.352	1.508	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNC(=O)CNc1cccc(OC)c1	863855206	RFYGKNNCTPSVTR-CQSZACIVSA-N	323.393	1.460	50	20	DDGD	
Cc1nn(CC(F)(F)F)cc1C(=O)NNC(=O)NCC1CC1	763302814	UZFPKPLYSVQGHG-UHFFFAOYSA-N	319.287	1.108	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCCC(C)(C)[C@H]1C#N	769893947	RNIQVVRVFSNSOQ-QWHCGFSZSA-N	308.426	1.583	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1csc(-c2ncccc2F)n1	768279286	JQAWSYIDTSXXFF-UHFFFAOYSA-N	308.338	1.761	50	20	DDGD	
CC1(C)OCc2cc(C=NNC(=O)N3CCOCC3)ccc2O1	766020638	FQTFOXNAEWQVTJ-UHFFFAOYSA-N	319.361	1.707	50	20	DDGD	
Cc1nc(C)n(C2CN(S(=O)(=O)CC(C)(C)CCl)C2)n1	867230229	QFZDQCIMVVRYAL-UHFFFAOYSA-N	320.846	1.346	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CC[C@]2(C)CCC(=O)N2)c1	862477567	MTIIVPQPQRCVLM-AWEZNQCLSA-N	309.391	1.266	50	20	DDGD	
C[C@@H](NNC(=O)[C@@H]1CCCN(CC(F)(F)F)C1)C(F)(F)F	862309659	SKCMMEOIJCMMQP-HTQZYQBOSA-N	321.265	1.832	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21	866955013	AYFLTENDUHMIQB-QWRGUYRKSA-N	322.858	1.324	50	20	DDGD	
CN(CCN1CCOCC1)C(=O)[C@H](Br)C(C)(C)C	767951720	YPOIJJSYOHPYTC-NSHDSACASA-N	321.259	1.587	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)cc1C	761073207	RELQOVCGWZJSSA-UHFFFAOYSA-N	305.378	1.689	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cn(C)nc1C(C)(C)C	769585819	MUQDSOXXPLXGIK-UHFFFAOYSA-N	321.425	1.473	50	20	DDGD	
COC(=O)c1cc(OC(=O)[C@@H](OC)C(C)C)ccc1[N+](=O)[O-]	769938499	ZNJDMXBTDDLLTR-LBPRGKRZSA-N	311.290	1.958	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)c3ccccc32)cc1	1116757558	CJENEFOOOVRSMO-HNNXBMFYSA-N	324.336	1.826	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1CCn2ccnc2C1	777412119	NEFYALWJLGNRDP-LBPRGKRZSA-N	313.361	1.151	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1	875210269	UIIXEUOLXSNNMF-STQMWFEESA-N	307.350	1.819	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)[C@@H]1COc2ccccc2O1	770595660	SMBNELGDCNFESS-HNNXBMFYSA-N	314.345	1.273	50	20	DDGD	
CCOC(=O)c1ccc(CNC(=O)NN(C)C(=O)OC)cc1	875145261	KAOITDMBAKMDIF-UHFFFAOYSA-N	309.322	1.276	50	20	DDGD	
COC(=O)N(C)NC(=O)NCC(C)(C)N1CCC[C@H](C)C1	875143050	WACPQMTUYFOFHP-NSHDSACASA-N	300.403	1.409	50	20	DDGD	
O=C(CO)NN=Cc1cccc(OCc2ccccc2F)c1	776780590	LJNFCLRFROMKGR-UHFFFAOYSA-N	302.305	1.847	50	20	DDGD	
Cc1ocnc1C(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	772970485	UFXWUGPUKDZONW-VIFPVBQESA-N	323.736	1.865	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NOC2CCCC2)cc1OC	774666083	UBVPHYJPMGAYIQ-UHFFFAOYSA-N	323.349	1.522	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)CSc2ccccc2O)c[nH]1	776966087	IRQVMPHABKOLIL-UHFFFAOYSA-N	316.342	1.145	50	20	DDGD	
CCOC(=O)Cc1cccc(NC(=O)NN(C)C(=O)OC)c1	878778564	LUAJVJXUNYREKN-UHFFFAOYSA-N	309.322	1.527	50	20	DDGD	
CNC(=O)CCCCC(=O)Oc1ccc([N+](=O)[O-])cc1OC	779765348	WCFXSFDGNNGOQZ-UHFFFAOYSA-N	310.306	1.815	50	20	DDGD	
COc1cc(C(=O)NNc2ncnc3ccsc23)nn1C	773394568	UBDPVGRKEQRIOQ-UHFFFAOYSA-N	304.335	1.190	50	20	DDGD	
Cc1cc(C(=O)NNc2nc3ccccc3c(=O)n2C)ccc1O	779519427	DHSMXXFDKIMQAB-UHFFFAOYSA-N	324.340	1.704	50	20	DDGD	
CCC(=NNC(=O)C(=O)N1CCCC1)c1cc(C)ccc1OC	771564473	SIBTVLZBQQXBCT-UHFFFAOYSA-N	317.389	1.856	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN[C@@H](c2ccc(F)cc2)C1	874892122	AEYYSFLUTMIQJX-BMOGTNHUSA-N	303.337	1.743	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2ccnc(SC)c2)n1	772602541	NHZGZPVVQCWFNI-UHFFFAOYSA-N	320.378	1.428	50	20	DDGD	
CS(=O)(=O)CCCCCNC(=O)NNc1ccc(F)cc1	776265898	RZWRLUFEZKSNHA-UHFFFAOYSA-N	317.386	1.667	50	20	DDGD	
CC(C)S(=O)(=O)CC(=O)NNc1cc(Cl)ccc1F	871272211	MLQNUXILTYIFGT-UHFFFAOYSA-N	308.762	1.745	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCCCl)C(=O)OCc1ccccc1	882333443	UWFFIZRKRGCLJG-LLVKDONJSA-N	319.810	1.667	50	20	DDGD	
CN1C(=O)CCc2cc(C=NNC(=O)c3ccc(N)cc3)ccc21	774309397	KZSCBNMESJXPCK-UHFFFAOYSA-N	322.368	1.942	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cnc(Oc2ccccc2)cn1	773291911	HVCOYUTVDDYVTJ-UHFFFAOYSA-N	301.306	1.185	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(c2ccccc2F)CC1	772139535	NMGCPHKBQQZMKR-SNVBAGLBSA-N	322.336	1.346	50	20	DDGD	
CN1Cc2ccccc2[C@H](NS(=O)(=O)CCCCl)C1	882019876	SXHJYZZEXDHTCY-CYBMUJFWSA-N	302.827	1.721	50	20	DDGD	
CC1(C)C(=NNC(=O)C(=O)NC2CC2)C[C@@H]1Oc1ccccc1	788981798	WXSBYRNIYXGZQE-AWEZNQCLSA-N	315.373	1.615	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCCN1CCCOCC1	783840844	CBIOGFDOXVPENK-NSHDSACASA-N	321.259	1.635	50	20	DDGD	
CC(C)CN1CCC[C@H]1C(=O)NNC(=S)Nc1ccccn1	1120769891	QRWSXFLNDYBXRG-LBPRGKRZSA-N	321.450	1.520	50	20	DDGD	
CC(C)C[C@@H]1CCCN(C(=O)NNC(=O)c2cccnn2)C1	883851488	SZASPQBAWXQJGX-LBPRGKRZSA-N	305.382	1.589	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(F)c(C(=O)OC)c1	785837925	IFZLQPUWVVSJJY-UHFFFAOYSA-N	312.301	1.310	50	20	DDGD	
CC(C)(NC(N)=O)c1cn(/C(Cl)=C/CBr)nn1	881310348	HSKUWEZFAVVXJH-XVNBXDOJSA-N	322.594	1.614	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1scc(C(C)(C)C)c1C#N	888222435	KERZCQYWFGQKDS-UHFFFAOYSA-N	323.422	1.632	50	20	DDGD	
COC[C@H](OC)C(=O)NNc1cc(Br)ccc1F	885148563	CEUNUNOPKXSXHD-JTQLQIEISA-N	321.146	1.693	50	20	DDGD	
CCOC(=O)Cc1cccc(NC(=O)NNC(=O)C(C)C)c1	782572371	CUTJHSMDKQPGQT-UHFFFAOYSA-N	307.350	1.601	50	20	DDGD	
O=C(NNC(=O)c1ccc(NCC2CC2)nc1)c1ccccc1	788263336	LJHQBVRWNJLHHJ-UHFFFAOYSA-N	310.357	1.978	50	20	DDGD	
C[C@H]1CC[C@H](NC(=O)NNC(=O)COc2ccc(C#N)cc2)C1	780799607	ISPZORRMRZPKBU-AAEUAGOBSA-N	316.361	1.456	50	20	DDGD	
CC(C)(C)C(=O)NN=C1CCCc2nc(O)c(C(N)=O)cc21	788990805	BDVJRBFIRHBLNF-UHFFFAOYSA-N	304.350	1.089	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@@H](C)CN2CCCCC2)cn1	780201994	ZAGOYBOYVRNTIA-ZDUSSCGKSA-N	304.394	1.662	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)[C@H]1CCN1C1CCCC1	895535331	QTJAEGSGNIRNMO-OAHLLOKOSA-N	316.405	1.263	50	20	DDGD	
CSC1(CNC(=O)NNC(=O)COCc2ccccc2)CC1	789295571	RPACGGYLRWVXHC-UHFFFAOYSA-N	323.418	1.429	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C1(SC)CCC1	787866032	JNOBLLXPMZCCHC-UHFFFAOYSA-N	323.418	1.540	50	20	DDGD	
C[N+](C)(C)CC(=O)NN/C=C1/C=C(c2ccccc2)C=CC1=O	794458243	YPHUTKQCSYXGER-UHFFFAOYSA-O	312.393	1.420	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)COc2ccc(F)cc2)CCC1=O	798306811	AYRNIQWMMBFGKL-QWRGUYRKSA-N	322.336	1.357	50	20	DDGD	
CC(COC(C)C)=NNC(=O)c1ccc(-n2cnnn2)cc1	799871707	DJQLHZFUFKAUDE-UHFFFAOYSA-N	302.338	1.193	50	20	DDGD	
CN(C)N(C(=O)c1cccc2[nH]ccc12)[C@H]1CCS(=O)(=O)C1	792856089	WWBXDRHOQOQAKK-NSHDSACASA-N	321.402	1.274	50	20	DDGD	
CC[C@H](C)CC(=O)OCC(=O)NNC(=O)Cc1ccccc1C	791501678	HCGDJUAFGMKLOU-LBPRGKRZSA-N	320.389	1.664	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)c1cnn(-c2ccccc2)c1	791216434	UFGXZKSMOOBXAR-UHFFFAOYSA-N	321.340	1.902	50	20	DDGD	
CCC1=C(C(=O)NNC(=O)COc2ccccc2O)CCCO1	790599293	KMVWIOJZMISPMR-UHFFFAOYSA-N	320.345	1.393	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCc2cnc3ccccc3c2)cn1	791599324	PWEWQRMJEQKCRW-UHFFFAOYSA-N	323.356	1.362	50	20	DDGD	
Cc1nc(COC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)n[nH]1	795311846	FMUYMYIGBGDVQE-UUILKARUSA-N	310.317	1.282	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2ccc(C(C)(C)C)nn2)CCO1	1319712107	NMGSMJTXEYUPQV-MNOVXSKESA-N	307.398	1.968	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@](C)(O)[C@@H](C)c1ccccc1	1319319282	AEPGBAKRHJCRHU-NHYWBVRUSA-N	309.435	1.445	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)n1	1319236919	MZBWPLPDQUAVSL-UHFFFAOYSA-N	315.289	1.106	50	20	DDGD	
COC(=O)C(=O)NN=C[C@H](C)c1cccc(Br)c1	1318966488	UHXDZHPPRIBPEI-QMMMGPOBSA-N	313.151	1.828	50	20	DDGD	
O=C(Cn1cc(C2CC2)nn1)NNc1nccnc1C1CCC1	1324475533	OMHLEQYVVYIUBK-UHFFFAOYSA-N	313.365	1.356	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1CCc2c(O)cccc21	1328142689	DNPATOQGYPPWMR-OPQQBVKSSA-N	319.361	1.135	50	20	DDGD	
Cc1ccc(NNC(=O)CN2CCC(CO)CC2)c(Cl)c1	1337303186	GCVKJBAAHDHJFE-UHFFFAOYSA-N	311.813	1.796	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2[C@@H](C)C2(F)F)cc1OC	1263699987	HBGIICNEFQCYNB-HQJQHLMTSA-N	314.288	1.366	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC/C=C/C2CC2)cc1OC	1347960400	SKDABYHDXJLGCQ-ONEGZZNKSA-N	319.361	1.614	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NC2CCC(=O)CC2)cc(C#N)n1C	1262189932	XFZOJXDMTROZKB-QPEQYQDCSA-N	310.357	1.740	50	20	DDGD	
CNC[C@@H](C)CNC(=O)NNC(=O)Cc1ccc(Cl)cc1	1261376625	UQDXBXVHSCTFNH-SNVBAGLBSA-N	312.801	1.068	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)[C@@H]2CCc3nccn3C2)nn1	1347889071	LYDYIDKHPRAJOB-LLVKDONJSA-N	314.393	1.676	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H]1C[C@@H](N)C12CCC2	1355686634	POQJFTULFPPSAI-VXGBXAGGSA-N	310.829	1.738	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@@H](C(=O)O)c2ccccc2)cn1	1600947934	YMOJDQAOXNVOAU-SVSAJMPUSA-N	310.313	1.269	50	20	DDGD	
Cc1ccc(NNC(=O)C2(CF)CCOCC2)cc1C(=O)O	1600462685	NPWDEJJWCHOZOS-UHFFFAOYSA-N	310.325	1.903	50	20	DDGD	
Cn1ncc(C2CC2)c1C(=O)NNc1ccc(C(=O)O)cc1F	1608157099	LXCHHOHUUJYRDI-UHFFFAOYSA-N	318.308	1.892	50	20	DDGD	
O=C(Cc1cncc(O)c1)NNc1cccc(C(=O)O)c1F	1601372852	ZVVNOYCCEYSNFT-UHFFFAOYSA-N	305.265	1.310	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ccc(CC(=O)O)cc2)cc1	1601162767	LWDMVMCINWGWBP-UHFFFAOYSA-N	313.313	1.170	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CCn3ccnc3C2)cc1F	1608904349	QXSCLOSVRBVLBE-SECBINFHSA-N	318.308	1.426	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cc[nH]c1C1CC1	1606861601	OKEQOFSAAKVBEE-UHFFFAOYSA-N	309.333	1.829	50	20	DDGD	
O=C(NC[C@H]1CCO[C@H]1C(=O)O)NNc1c(F)cccc1F	1601525692	RGKJGYHQIKGUQC-RDDDGLTNSA-N	315.276	1.081	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cn(CC(=O)O)nn1	1605321383	IDNASOJSIRGCJU-UHFFFAOYSA-N	317.349	1.551	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cc(F)cc(C(=O)O)c1	1601243480	QQGWDYKIROEJQK-UHFFFAOYSA-N	308.187	1.237	50	20	DDGD	
O=C(NN=Cc1csc(C2CC2)n1)[C@H]1CN2CCC[C@H]2CO1	1549319230	SRRJWZCEDCRZAR-QWHCGFSZSA-N	320.418	1.334	50	20	DDGD	
O=C(NN=Cc1cc2ccccc2[nH]1)[C@H]1CN2CCC[C@H]2CO1	1549319731	JGMXWKDLGXNSCP-GOEBONIOSA-N	312.373	1.481	50	20	DDGD	
CCO[C@@H]1CCCC(=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)C1	1550354629	RUHHVUMCCFSULH-RRFJBIMHSA-N	309.410	1.301	50	20	DDGD	
CC(C)[C@@H](C(=O)O)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	1588807890	KNIHIKZEGQGUKC-GFCCVEGCSA-N	322.365	1.262	50	20	DDGD	
Cc1cc(C(=O)NNc2ncccn2)cc(C)c1-c1nn[nH]n1	1580871455	RARSVKCEQLZTFQ-UHFFFAOYSA-N	310.321	1.030	50	20	DDGD	
C=CC[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl	1847562465	FNODLPBEQACMKZ-VOAKCMCISA-N	314.813	1.000	50	20	DDGD	
C[C@@H](CN(C)S(=O)(=O)c1ccc(CCl)cc1)C(=O)O	1592589098	WFIGXSWJZBPLIT-VIFPVBQESA-N	305.783	1.767	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H](C(=O)O)C2CC2)cc1F	1593883257	VRTOAJFRMNXMSZ-NSHDSACASA-N	310.281	1.166	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)Nc1ccnc(Cl)c1	1594781479	ASHKQEFLTQNPQK-UHFFFAOYSA-N	307.697	1.977	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NNc1cccc(C(=O)O)c1	1594448318	QZXISSHJUFDQQY-XPTSAGLGSA-N	314.345	1.917	50	20	DDGD	
O=C(CC(F)(F)F)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1592805518	GXVBTLOWKQJKHS-UHFFFAOYSA-N	320.662	1.916	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)C2(C(=O)O)CC2)c1	1593703466	AHBPRLTWEZFHBV-UHFFFAOYSA-N	306.322	1.088	50	20	DDGD	
CC(C)(C)OC(=O)NC[C@@](C)(O)CI	158591292	MMKDFIAFTHEGFI-VIFPVBQESA-N	315.151	1.697	50	20	DDGD	
CCCC[C@H](NNC(=O)c1ccc(OC)cc1OC)C(=O)O	1595640611	KXHRYTZNKOOVEL-LBPRGKRZSA-N	310.350	1.582	50	20	DDGD	
O=C(NN=C1CC(C(=O)O)(c2ccccc2)C1)c1ncccn1	1776081376	LSXCNEDDRYTXKQ-UHFFFAOYSA-N	310.313	1.379	50	20	DDGD	
CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)CCl)C[C@@H]21	1786613529	AXKJHFFZLANNLK-AVGNSLFASA-N	316.829	1.251	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNC(=O)c1cc2c(s1)CCC2)C(C)C	15938396	HDDHQJAOSMFCCX-CYBMUJFWSA-N	323.418	1.159	50	20	DDGD	
CCOCCC1(CNC(=O)NNC(=O)Cc2ccncc2)CC1	161662365	OWKDUCGNALDXDH-UHFFFAOYSA-N	320.393	1.161	50	20	DDGD	
O=C(NNc1cccc(Br)c1)[C@@]1(O)CCSC1	158907827	UXTGPZCJAGIFDQ-LLVKDONJSA-N	317.208	1.760	50	20	DDGD	
CCCC(CCC)C(=O)NNC(=O)CNC(=O)c1cccnc1	157419414	QXQRILBOEDCTTP-UHFFFAOYSA-N	320.393	1.175	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CN(C)[C@H]2CCSC2)c1	154435605	FFWZHMDERZWEJW-LBPRGKRZSA-N	313.398	1.715	50	20	DDGD	
CCNC(=S)NNC(=O)c1ccc(OC(C)C)c(OC)c1	7679000	NSEFBOZCRCAXSY-UHFFFAOYSA-N	311.407	1.611	50	20	DDGD	
Cc1noc(Cl)c1CC(=O)NNC(=O)c1cccc(C#N)c1	103436995	GUQVIDCQFNTXHI-UHFFFAOYSA-N	318.720	1.512	50	20	DDGD	
CC(C)(C(=O)NNC(=O)Cc1cc[nH]n1)c1ccc(Cl)cc1	106417085	RGWHNAVBONNYLP-UHFFFAOYSA-N	320.780	1.731	50	20	DDGD	
CN1C[C@@H](C(=O)NNc2cccc(C(F)(F)F)c2)CC1=O	103277326	OOMOQXYJLVZFNJ-QMMMGPOBSA-N	301.268	1.627	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NNc1cc(F)c(F)cc1F	178537113	GLSJRIYXJIDDLF-SECBINFHSA-N	304.272	1.384	50	20	DDGD	
CCCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1ccccc1	54852225	IYQPJHKXKHGCNX-CYBMUJFWSA-N	303.362	1.239	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cccc(C#N)c1)c1ccccc1	103436897	HASXRCUTNNTWRG-UHFFFAOYSA-N	308.341	1.456	50	20	DDGD	
Cc1cccc(OC[C@@H](C)NC(=O)NNc2ncccn2)c1	54615340	DSWOWZKRVXFHRK-GFCCVEGCSA-N	301.350	1.879	50	20	DDGD	
COc1ccc(-n2ccc(C(=O)NNC(=O)C3CC3)n2)cc1	55110223	ICCDEHZZFLXEEG-UHFFFAOYSA-N	300.318	1.052	50	20	DDGD	
Cc1ccoc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	24298243	WEIXQXVFNNJSPA-SNVBAGLBSA-N	306.293	1.956	50	20	DDGD	
CCO[C@H]1CCCN(C(=O)NNC(=O)c2ccccc2C)C1	63182880	YGFXCGAHAIHMRS-ZDUSSCGKSA-N	305.378	1.850	50	20	DDGD	
Cc1nn(-c2ccccc2)cc1C(=O)NNC(=O)c1cccn1C	102323681	ZYHRPFMGHPTMBS-UHFFFAOYSA-N	323.356	1.594	50	20	DDGD	
CN(CC(=O)NNC(=O)C1CC1)[C@@H]1CCc2ccccc2C1	114489820	ZGJNIYCBQPYEGK-OAHLLOKOSA-N	301.390	1.033	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	119771509	IBWHOCUKNOHPAR-SUMWQHHRSA-N	322.405	1.769	50	20	DDGD	
CC(C)CO[C@H]1CCN([C@@H](C)C(=O)NNC(=O)CC(C)C)C1	119793237	HGYIFGQOQKGSLX-KBPBESRZSA-N	313.442	1.315	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccc(-n2cnnc2)cc1	178830595	HPZJNVJAJJBKSY-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
O=C(NNc1ncccn1)C(=O)Nc1cccc2ccccc12	120039497	YOTXBRNNYLJBHQ-UHFFFAOYSA-N	307.313	1.712	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1ccc(F)c(C#N)c1	126054842	NFLAACNBYCCEMP-UHFFFAOYSA-N	320.324	1.219	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)c3ccon3)cc2C1	67286529	CQODHICXWZLUHG-QMMMGPOBSA-N	305.359	1.936	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cccc(OC(F)F)c1	126644942	FVLOZOICQRPNEQ-NSHDSACASA-N	314.288	1.618	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1csc(Cc2cccc(F)c2)n1	183645575	LKOXOARRYZSFDD-UHFFFAOYSA-N	322.365	1.789	50	20	DDGD	
COCc1ccccc1NC(=O)NNC(=O)c1cccnc1	183840318	WYRMRKXPOMRVEY-UHFFFAOYSA-N	300.318	1.695	50	20	DDGD	
CC(C)O[C@@H]1CCCN(S(=O)(=O)CBr)C1	404738793	GQSLYZMJZXCEDJ-SECBINFHSA-N	300.218	1.558	50	20	DDGD	
C=CCNc1ncc(C(=O)NNC(=O)c2ccccc2O)s1	125131909	WPLGKESKSNEVRI-UHFFFAOYSA-N	318.358	1.521	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1	183682823	KHFRUTOURDRQTF-UHFFFAOYSA-N	318.255	1.151	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)N[C@H]1CCO[C@H](C2CC2)C1	189997808	ZXCPFBCMKUSNNP-RYUDHWBXSA-N	316.365	1.313	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1	182236983	TVVUKXLSDJITDJ-UHFFFAOYSA-N	315.289	1.076	50	20	DDGD	
CC(=O)c1cc(C(=O)NNc2nnc(C3CC3)s2)n(C)c1	185340648	DAQPGTOOZWROPG-UHFFFAOYSA-N	305.363	1.714	50	20	DDGD	
CCOc1cc(F)ccc1NC(=O)NNC(=O)c1cnn(C)c1	184139022	SOJPBIOUOUBGQI-UHFFFAOYSA-N	321.312	1.424	50	20	DDGD	
C[C@@H](CCNC(=O)NNC(=O)c1cnn(C)c1)CC(C)(C)C	188309508	XMXALTGYSRBQLK-NSHDSACASA-N	309.414	1.827	50	20	DDGD	
COc1ccc(Cl)cc1CC(=O)NNc1nccnc1OC	132005060	DDCDEMODQFXEEJ-UHFFFAOYSA-N	322.752	1.833	50	20	DDGD	
Cc1cncc(CNC(=O)NNC(=O)c2ccc(C#N)cc2)c1	133881824	RYYFBIROKPRNSS-UHFFFAOYSA-N	309.329	1.406	50	20	DDGD	
COc1nccnc1NNC(=O)Cc1cccc(OC(C)C)c1	131984926	NCLUWLRWMYYWMQ-UHFFFAOYSA-N	316.361	1.958	50	20	DDGD	
Cc1nnc(NC(=O)NNC(=O)c2ccc(Cl)cc2)s1	194263943	PIUYXRSPGJXBQN-UHFFFAOYSA-N	311.754	1.966	50	20	DDGD	
COc1nccnc1NNC(=O)CCC(=O)c1cccs1	132011650	HMOPEECBCYRGKR-UHFFFAOYSA-N	306.347	1.653	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CC(F)(F)F)c(OC)c1	131360456	HAEKAKMAAQLRGW-UHFFFAOYSA-N	306.240	1.417	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2ccc(F)cc2C)nc(C)n1	130355144	VXEZPKJLXACHOS-UHFFFAOYSA-N	317.324	1.623	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2cccs2)n[nH]1)c1ccccn1	131597137	LGRFFXIIEAMYSZ-UHFFFAOYSA-N	313.342	1.608	50	20	DDGD	
CC(C)CN1CC[C@@H](CNC(=O)NNC(=O)CC(C)(C)C)C1	134017938	ZMQMMWQPLAAFPI-ZDUSSCGKSA-N	312.458	1.731	50	20	DDGD	
N#Cc1ccc(S(=O)(=O)NNC(=O)NC2CCCCC2)cc1	192734989	JSQWNQCVSMKOSZ-UHFFFAOYSA-N	322.390	1.383	50	20	DDGD	
CNS(=O)(=O)c1ccc(C(=O)NNc2ccc(F)cc2)cc1	42065189	AGWSZFPANFHZTM-UHFFFAOYSA-N	323.349	1.491	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)n1	130615544	MANBIFSLLPOWAL-QWHCGFSZSA-N	305.382	1.677	50	20	DDGD	
O=C(CCc1cccc(Cl)c1)NNC(=O)C(=O)N1CCCC1	132241613	VMSOHFQHQJPRLT-UHFFFAOYSA-N	323.780	1.042	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cc2cccc(F)c2F)cc1	87219927	ADQSBKIWJQSUPS-UHFFFAOYSA-N	315.279	1.840	50	20	DDGD	
O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NNc1cnccn1	89491752	OGGWUFUGFBRYAV-UHFFFAOYSA-N	312.289	1.552	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc([N+](=O)[O-])cc1)N(C)CC(F)(F)F	193630989	CZEGZUKANVLBBF-QMMMGPOBSA-N	320.271	1.921	50	20	DDGD	
O=C(/C=C\c1ccc(Cl)cc1)NNC(=O)N1CCOCC1	255063271	XBBHSSVFMFKBIP-UTCJRWHESA-N	309.753	1.426	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)n1	268563406	SUYYMIRMDKQDEC-GMTAPVOTSA-N	307.354	1.069	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	264300911	RXEPPWWLZYRPNY-CYBMUJFWSA-N	320.349	1.230	50	20	DDGD	
CO[C@H](C)CCNC(=O)NNC(=O)CCCc1ccccc1	263957297	OCZPINKMEOUGRA-CYBMUJFWSA-N	307.394	1.765	50	20	DDGD	
COCCCCCNC(=O)NNC(=O)COCc1ccccc1	265678695	IQNYZYIPEZFKOD-UHFFFAOYSA-N	323.393	1.350	50	20	DDGD	
CCNC(=O)N1CCc2ccc(NC(=O)NNC(=O)OC)cc21	266749349	NBBNRNYZBKJMNI-UHFFFAOYSA-N	321.337	1.171	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@H]1CCCN1C1CCCC1	269611494	BDVKEKNOIFFEQT-OAHLLOKOSA-N	316.405	1.179	50	20	DDGD	
O=S(=O)(CCCCCl)N1C[C@@H](O)Cc2ccccc21	278698339	NFJUDXULIGZNSL-LBPRGKRZSA-N	303.811	1.759	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@@H]1CCO[C@H](C)C1	271250213	KFROTZKQRMENPW-DGCLKSJQSA-N	321.377	1.136	50	20	DDGD	
CCCC(=O)N1CCCC[C@@H]1C(=O)NNc1nccnc1OC	274123246	TUEPRVZLJREUHO-LLVKDONJSA-N	321.381	1.110	50	20	DDGD	
COC(C)(C)CC(=O)NNC(=O)COc1cc(C)ccc1C	278762099	KGYBGNFXPKBETC-UHFFFAOYSA-N	308.378	1.645	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H]1CC=CCC1	273216540	KIQPRSZLOOYDPA-WDEREUQCSA-N	311.382	1.403	50	20	DDGD	
COCCCOc1ccc(C(=O)NNc2ncccc2C)cn1	276739875	OCWWGONDVUSUKT-UHFFFAOYSA-N	316.361	1.957	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1CCCCN1Cc1ccccc1	370140368	MGPUDLYEIOYKAI-HNNXBMFYSA-N	318.421	1.734	50	20	DDGD	
O=C(NNc1ncccn1)N[C@H]1COc2cc(F)cc(F)c21	374972780	XMELOQKGVSOJGD-VIFPVBQESA-N	307.260	1.515	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCN2C(=O)OC[C@H]2C1	372520498	FWWMVDSZJJRKRW-RKDXNWHRSA-N	319.199	1.459	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCC[C@H]2CCO[C@H](C)C2)n1	280304385	OJKQAYGAMJOTFQ-OLZOCXBDSA-N	320.393	1.539	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)cc1C	282314288	YSKNVQPEGIBORP-UHFFFAOYSA-N	312.269	1.563	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2ncnn2C(C)(C)C)n1	282590796	HSGILGUWMAEEAM-UHFFFAOYSA-N	318.385	1.266	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@@H]2COc3ccccc32)n1	289433101	RIXMIGQOYSBCRI-GFCCVEGCSA-N	313.361	1.896	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CCC(=O)c1cnn(C)c1	280246177	LNSDMICJGRRDMG-UHFFFAOYSA-N	314.345	1.153	50	20	DDGD	
CC(=O)NC1CCC(NC(=O)NNc2ncccc2F)CC1	287810674	MGNHKHQKLXWMEG-UHFFFAOYSA-N	309.345	1.294	50	20	DDGD	
CCc1nn(C)c(CC)c1CNC(=O)NNc1cccc(F)n1	286781332	QYCHRTPUVHKPAO-UHFFFAOYSA-N	320.372	1.905	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2C)nn1	287372623	ZGQXIFHHXXQYCJ-LCYFTJDESA-N	311.345	1.245	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CC[C@@H](OC)C[C@@H]1C	282009551	XYENADVZRKQYQH-NWDGAFQWSA-N	321.377	1.549	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1ocnc1C1CC1	808385832	WRSUAWAICPRHOY-UHFFFAOYSA-N	303.293	1.695	50	20	DDGD	
C=CCC(F)(F)C(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C	293547075	QVYNZQTUYCXQHN-MRVPVSSYSA-N	321.324	1.258	50	20	DDGD	
C[C@H](C(=O)NNC(=O)NC1CC1)[C@H]1OCCc2sccc21	293017571	UZWHFZAAPPJTMM-QPUJVOFHSA-N	309.391	1.491	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Nc1cnnn1C)c1ccccc1	809905817	AFSZDINJDAOJRR-NSHDSACASA-N	302.338	1.162	50	20	DDGD	
CCO[C@@H]1C[C@](CO)(NC(=O)NCCSSC)C1(C)C	807233879	OQJXLMUSODJBTR-ZWNOBZJWSA-N	322.496	1.863	50	20	DDGD	
CCOC(=O)NCC(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	295876718	GCZCHXUPTGSDMQ-UHFFFAOYSA-N	316.701	1.437	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)CCCOC(C)(C)C)C1CC1	803199578	HPKUHDQDEOSITN-JTQLQIEISA-N	301.456	1.876	50	20	DDGD	
COC[C@H](NC(=O)NNc1cccc(NC(C)=O)c1)C1CC1	297276939	KZJLCMZYMDIKPK-AWEZNQCLSA-N	306.366	1.696	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)[C@@H]2CCCO2)CCC1	294176009	WMOSYKRBYUXZBT-AWEZNQCLSA-N	302.374	1.743	50	20	DDGD	
Cn1cc(C(=O)NNc2cccc(F)n2)c(-c2ccoc2)n1	804770568	IPDHCRFOUFYCNV-UHFFFAOYSA-N	301.281	1.971	50	20	DDGD	
C[C@H](OCC1CC1)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802095901	FFHHDQRSPHCPIH-VIFPVBQESA-N	321.333	1.383	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=O)[C@@H]2CCCCO2)c1C1CC1	295660250	VXGILLOASZBSEY-ZDUSSCGKSA-N	320.393	1.501	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1c(C)cc(OC)c(C)c1C	806764591	HCFDPRPYEUYGTN-UHFFFAOYSA-N	309.366	1.810	50	20	DDGD	
COC(=O)C(C)(C)CNC(=O)NNc1cccc(Cl)n1	292988730	JXEKGJAJXUJPEI-UHFFFAOYSA-N	300.746	1.560	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2C[C@H](c3ccccc3)OC2=O)ncn1	809680187	QTPHPFYYVQUWBA-QWHCGFSZSA-N	312.329	1.533	50	20	DDGD	
CCCCc1nnc(NC(=O)NNc2ncncc2F)s1	292791174	MSFQAUZWNHIEAV-UHFFFAOYSA-N	311.346	1.958	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1cc(C)c(OC)c(C)c1	296011853	MPJFLTPNKXDEQK-UHFFFAOYSA-N	302.352	1.204	50	20	DDGD	
CCC(C)(C)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	291182062	KRQCECBDLDXRDL-UHFFFAOYSA-N	313.423	1.816	50	20	DDGD	
O=C(NN=C1COCCOC1)c1cccc(Br)c1	814857505	MPXBEOAELHWFDO-UHFFFAOYSA-N	313.151	1.582	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCOC1)c1nc2ccccc2s1	818550877	PRQISBNOILXXDY-VIFPVBQESA-N	305.359	1.484	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CC2(CCC2)[C@H]1[C@H]1CCCO1	811879048	RSCANDQUCYPLBN-VXGBXAGGSA-N	309.410	1.807	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1ccc(Cl)cc1F)c1ccncc1	813362855	KGMGJHLOTWPFDW-LBPRGKRZSA-N	323.711	1.369	50	20	DDGD	
CN(NC(=O)c1nn(-c2cccc(F)c2)c2c1CCC2)C(N)=O	817557671	LWVUXLSAWCBLBP-UHFFFAOYSA-N	317.324	1.155	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=C(C)c1cc[nH]n1	814744722	QMYSNPVJZMVQMC-UHFFFAOYSA-N	310.361	1.862	50	20	DDGD	
Cc1ccccc1OCCCC(=O)NNC(=O)c1ccnnc1	817692340	LFFCPGWMGTXLHK-UHFFFAOYSA-N	314.345	1.405	50	20	DDGD	
O=C(NNC(=O)C1(c2cccnc2)CCCC1)c1ccccn1	813362558	DUPJXWHGTKHDAH-UHFFFAOYSA-N	310.357	1.750	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2C)c[nH]1	816663072	IVKHCHFIZSXICV-UHFFFAOYSA-N	318.289	1.775	50	20	DDGD	
CC1(C)OCCC1=NNC(=O)Cn1nnc(-c2ccccc2)n1	814705243	XJNCSOYHCJSESP-UHFFFAOYSA-N	314.349	1.011	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC2(CCCC2)CC1	827269204	VZRPHMVQIHQOLU-OLZOCXBDSA-N	309.410	1.808	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(F)ccc1Br	823982916	HBMVTROHWXJTCZ-SSDOTTSWSA-N	305.147	1.546	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NN=Cc2ncc[nH]2)C1	495719163	HQUWCFLJWIQDRO-LLVKDONJSA-N	321.381	1.507	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(N)c(OC(F)(F)F)c1	824627608	PZPSGWZDFJMRLZ-UHFFFAOYSA-N	306.244	1.083	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CN2CCCC2=O)c1C	725907709	SWFIHYMOMSFIFW-UHFFFAOYSA-N	320.418	1.243	50	20	DDGD	
C[C@H]1[C@@H](C(=O)NN=c2cc[nH]cc2)CCN1C(=O)OC(C)(C)C	492508414	KMAVFVDUMZQJEY-AAEUAGOBSA-N	320.393	1.592	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1	491081527	GRNCIBCBBQZPIK-CSEYMSQUSA-N	308.337	1.711	50	20	DDGD	
C[C@@H](CBr)CN1CCS(=O)(=O)C[C@@H]1C1CC1	831386775	PUQBZJMZCPSDRM-GXSJLCMTSA-N	310.257	1.526	50	20	DDGD	
CCOC(=O)N[C@@H](CNC(=O)NNc1ccccn1)CC(C)C	492905993	GTAYEZFXFASBLN-GFCCVEGCSA-N	323.397	1.869	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H]2CCC[C@@H](OC)C2)n1	826971439	XVFLUKPFMMMLDU-CHWSQXEVSA-N	321.425	1.971	50	20	DDGD	
Cc1[nH]c(C(=O)NN(C)[C@@H](C)CO)c(C)c1C(=O)OC(C)C	823983288	PUEDWQVFSSHVCN-VIFPVBQESA-N	311.382	1.154	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCC[C@H](O)c2ccccc2)cn1	828088365	VKXZPCLMUSVUII-AWEZNQCLSA-N	316.361	1.085	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(-c2nn[nH]n2)cc1F	821314760	NIYHCLGCJDPLAX-CLFYSBASSA-N	302.269	1.388	50	20	DDGD	
C[C@H](C(=O)NN(C)[C@@H](C)CO)c1ccc(Br)cc1	823940557	ZMWNTJCXHGEECR-UWVGGRQHSA-N	315.211	1.896	50	20	DDGD	
C[C@@H](CC(=O)O)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	827303515	GMFMDBHXMGGDBT-JTQLQIEISA-N	306.362	1.856	50	20	DDGD	
Cc1ccccc1-c1nc(C(=O)N2CC[C@H](B(O)O)C2)cs1	585066783	PSQLJQIRYXHOBJ-NSHDSACASA-N	316.191	1.807	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)C1(C(F)(F)F)CCCCC1	826667446	PBUOIQVFLOZFKW-UHFFFAOYSA-N	318.299	1.612	50	20	DDGD	
COCCOc1cccc(/C=C(/C#N)S(=O)(=O)NC2CC2)c1	588561500	ASQSJFRXZVGBAV-GDNBJRDFSA-N	322.386	1.658	50	20	DDGD	
COC(=O)c1cc(F)cc(C(=O)NN[C@@H](C)C(F)(F)F)c1	826941520	JQMIZICCMCIMBG-LURJTMIESA-N	308.231	1.798	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@@H](CO)CC2CCCC2)cn1	491163255	VTYGVCIFSJTQIH-PLWLOYALSA-N	316.405	1.632	50	20	DDGD	
CCN(CCO)NC(=O)c1csc(Cc2ccccc2)n1	823847538	XDGMXYJLJDHGQD-UHFFFAOYSA-N	305.403	1.693	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC(C(=O)NN=C2CCOC2)CC1	491451797	FXMLFGWARPBUAI-UHFFFAOYSA-N	311.382	1.526	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCCC(=O)c2ccccc2)cn1	900746096	OYCRMMUXMFUSBB-UHFFFAOYSA-N	314.345	1.234	50	20	DDGD	
CCc1noc(CC)c1CNC(=O)/C(C#N)=C/c1cnn(C)c1	491108086	WYVCDFCUJIGBRO-WUXMJOGZSA-N	313.361	1.756	50	20	DDGD	
CC[C@H](O)[C@@H](C)C(=O)Nc1cccc(NC(=O)NN(C)C)c1	907822662	PLAFCQCHPIHKAH-MFKMUULPSA-N	308.382	1.630	50	20	DDGD	
CCN(CCC(=O)NC)S(=O)(=O)c1ccc(CCl)cc1	907639712	LSCTULARMLAVSI-UHFFFAOYSA-N	318.826	1.572	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cn(C)nc1-c1cc(F)ccc1F	823903092	ZDDARPLZFONNPL-SECBINFHSA-N	324.331	1.323	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCCc3c(F)cccc32)c(F)c1	585043821	SNWBHCXBCQEZRJ-KRWDZBQOSA-N	317.144	1.812	50	20	DDGD	
O=C(N[C@@H]1CCCc2sccc21)c1ccc(B(O)O)cc1	584977126	XCNVRGQGHIIETH-CYBMUJFWSA-N	301.176	1.235	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2cnnc3ccccc23)c1[N+](=O)[O-]	733811407	JHTJFSKKSKYGJQ-UHFFFAOYSA-N	313.277	1.326	50	20	DDGD	
CCC(CC)[C@@H]1C[C@@H](NCc2cccc(B(O)O)c2)CCO1	585033310	CPPRHAXHXRNKIV-IRXDYDNUSA-N	305.227	1.440	50	20	DDGD	
Cc1ccncc1/C=C\C(=O)NNc1ccc(-n2ccnc2)nn1	492921799	LTQCWQPBCUZMJN-DJWKRKHSSA-N	321.344	1.522	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1nc(Br)cs1	834954191	KOABNUPVNGNSCE-UHFFFAOYSA-N	305.201	1.307	50	20	DDGD	
CCc1cnccc1CNC(=O)NNC(=O)[C@@H]1CCCCO1	838539692	DBWWDXIBYQSMOK-ZDUSSCGKSA-N	306.366	1.044	50	20	DDGD	
CCCN1CCCN(C(=O)[C@]2(C)C[C@H]2Br)CC1=O	907665176	LDQNKGUHRAPNTP-ZWNOBZJWSA-N	317.227	1.631	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccnn1-c1ccccn1	836696820	NBCGAEANTZDOOW-UHFFFAOYSA-N	300.322	1.220	50	20	DDGD	
COc1cc(C)cc2c1OCCC2=NNC(=O)c1ncon1	901284848	BLFNIAVESMGBLK-UHFFFAOYSA-N	302.290	1.303	50	20	DDGD	
CN([C@@H](CO)CC(C)(C)C)S(=O)(=O)CBr	832455245	BCNUAHPFALUTAF-MRVPVSSYSA-N	302.234	1.398	50	20	DDGD	
CC(C)C1(C)CCN(C(=O)c2cc(B(O)O)ccc2F)CC1	584975833	ZRPRLEPMYKGVBJ-UHFFFAOYSA-N	307.174	1.404	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)[C@H](CO)NC(=O)C(C)C	836934158	BZFYPXDBXASKRR-NSHDSACASA-N	313.785	1.225	50	20	DDGD	
COCC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C(C)C	736966598	VRTINUFXWKTCEU-UHFFFAOYSA-N	302.338	1.255	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cnn([C@@H](C)C2CC2)c1	831700724	NSKCWRMBMOCYIT-OUJBWJOFSA-N	321.381	1.432	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C=NNC(=O)[C@@H]2CCCCO2)c1C	834989160	QRBDTMLOTNPBEO-ZDUSSCGKSA-N	321.377	1.827	50	20	DDGD	
CC(=O)Nc1ccc(NC(=S)NNC(=O)C2CCC2)cc1	731945355	VQIAVCPJJBGTSE-UHFFFAOYSA-N	306.391	1.763	50	20	DDGD	
COc1cccc(-c2cc(CNS(=O)(=O)CCl)on2)c1	907780113	CQAAEMQFPBNFHM-UHFFFAOYSA-N	316.766	1.966	50	20	DDGD	
O=S(=O)(CCl)NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1	831269366	GOSCRRRAZUHIQB-NWDGAFQWSA-N	307.774	1.407	50	20	DDGD	
C=C(C)CCNC(=O)NNC(=O)c1ccc2c(c1)OCCO2	836579753	PEISQRJTIXXVTA-UHFFFAOYSA-N	305.334	1.368	50	20	DDGD	
NCCCN(Cc1ccc(B(O)O)cc1F)c1ccccc1F	585034995	OPNWOQGSDOZHGT-UHFFFAOYSA-N	320.148	1.000	50	20	DDGD	
C[C@]1(C(=O)NCCCOC2CCOCC2)C[C@H]1Br	906792191	IBBRENSZCXAZOO-YPMHNXCESA-N	320.227	1.862	50	20	DDGD	
COc1ccc(C[C@H](C)CNCc2ccc(B(O)O)cc2)cc1	585031836	LBVHSXVMPDPKIY-AWEZNQCLSA-N	313.206	1.343	50	20	DDGD	
C[C@H]1Cc2c(ncn2CC(=O)NNC(=O)C(C)(C)C)C[C@H]1C	830918601	GEYUUEOTRLXHTN-MNOVXSKESA-N	306.410	1.447	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H](C)CN(C)C)c(F)c1	838592527	UFCPOSCORYEBEU-VIFPVBQESA-N	312.345	1.189	50	20	DDGD	
Cc1ccc(-n2ncc(C(=O)N3CC[C@H](B(O)O)C3)c2C)cc1	585068331	ATYHAZHEUPUNSN-ZDUSSCGKSA-N	313.166	1.178	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1cnn(CC2CC2)c1	836437366	ARSXWQAZVQONNZ-GFCCVEGCSA-N	307.354	1.015	50	20	DDGD	
Cc1ncsc1CCOC(=O)/C(C#N)=C\c1cnn(C)c1	837970930	JIGNXCTVCIXGRG-XGICHPGQSA-N	302.359	1.878	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)c1ccc(Cl)cc1F	837451901	NPGSGACAUZHIHF-WHGOUJPWSA-N	324.739	1.855	50	20	DDGD	
O=C(CCCc1ccccc1)NN[C@H](C(=O)O)c1cccnc1	833098589	YBPCKYPCAUGNOD-INIZCTEOSA-N	313.357	1.851	50	20	DDGD	
O=C(NNc1ncccc1Cl)c1ccc(-n2ccnc2)nn1	734247510	NKELQYPGUGEURG-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
C[C@H]1CC(=NNC(=O)C(=O)NCc2ccc(Cl)cc2)[C@@H](C)O1	834969237	UJCSSLNSHPLAOF-VHSXEESVSA-N	323.780	1.626	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCCOc1ccc(Cl)cc1	910171611	YULRMVCESWBMMJ-NSHDSACASA-N	300.786	1.843	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1c(F)cc(C)cc1F	831575626	QWMOLXAEEHPZGD-UHFFFAOYSA-N	319.402	1.745	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C[C@H]2C[C@H]3CC[C@H]2O3)c1	836205807	SMSXAAHFZLPXKC-BPLDGKMQSA-N	318.373	1.479	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2csc3cncn23)cc1	746186191	ZTLBMTKQOZQLMF-UHFFFAOYSA-N	311.326	1.342	50	20	DDGD	
Cn1cc([N+](=O)[O-])cc1C(=O)NNc1cccc([N+](=O)[O-])c1	748001785	IRAWKUFTRNKSMY-UHFFFAOYSA-N	305.250	1.598	50	20	DDGD	
CCC(COC)=NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	741767875	FPVJFXFHDZYEPW-UHFFFAOYSA-N	313.379	1.624	50	20	DDGD	
CC(C)n1ccc(CC(=O)NNc2ccnc(N(C)C)n2)n1	743485008	VUVRFROIUQTGLT-UHFFFAOYSA-N	303.370	1.006	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCOc1cccc(F)c1	843647382	YOVHLWKQWQRFQY-GWCFXTLKSA-N	310.325	1.167	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)NCc1ccco1)C(=O)OC(C)(C)C	840288459	JHPCGMAYPXACDJ-VIFPVBQESA-N	311.338	1.088	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CN2[C@@H](C)CC[C@H]2C)cc1	742241530	LQNYIMPDCIMCMJ-BETUJISGSA-N	303.406	1.883	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc3ccccc3c2)n(C)n1	918110606	MIAFDINAYXECFQ-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
O=C(CCSc1ccccc1)NNC(=O)N1CCOCC1	745992659	HFORVQDFEWQCMQ-UHFFFAOYSA-N	309.391	1.242	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1cc(Br)c[nH]1	842550026	USZVLGZLVLMHKP-GMSGAONNSA-N	300.156	1.652	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2csnn2)cc1C	915955412	DOMUIKFWZYEFID-UHFFFAOYSA-N	303.347	1.244	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1ccc(C)c([N+](=O)[O-])c1	748254228	XDJVMBWMYROVJL-LBPRGKRZSA-N	323.349	1.795	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCc2cccc(F)n2)cc1	748033084	BLWTWMHISSYYIA-UHFFFAOYSA-N	316.336	1.927	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)/C=C\c1ccc2[nH]ccc2c1	843661999	PKTKVCNBKPEQRZ-WDJAASKKSA-N	313.357	1.754	50	20	DDGD	
CC[C@H](N)CNC(=O)NNC(=O)c1cc(C)nc2ccccc12	842008606	UXPMRRBJUQBVPL-NSHDSACASA-N	315.377	1.225	50	20	DDGD	
O=C(NN=C1CCc2ccccc21)c1ccc(-n2cnnn2)cc1	916349979	NVDBATNYRFDBMF-UHFFFAOYSA-N	318.340	1.743	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1ccccc1OCC1CC1	740061986	KSHPDGLMYIBYGO-UHFFFAOYSA-N	305.378	1.962	50	20	DDGD	
CC[C@H](CN1CCOCC1)NC(=O)[C@]1(C)C[C@H]1Br	928649982	UQHSAWWAIPULLY-NQBHXWOUSA-N	319.243	1.387	50	20	DDGD	
COc1ccc(F)cc1S(=O)(=O)NCCCSC#N	916999133	BCDDRMLQWHVKHB-UHFFFAOYSA-N	304.368	1.717	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCO[C@@H](c2ccccc2)C1	744386123	CHXASLKSSKRHGJ-CQSZACIVSA-N	319.405	1.253	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1cccc(OCCC(=O)O)c1	842554057	IJKQFTJSPIQDNW-RISCZKNCSA-N	320.345	1.415	50	20	DDGD	
CCC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CC1(C)C	841621156	ULSPCKHVZOFENT-ZJUUUORDSA-N	301.412	1.285	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCCC1=CCNCC1	841987128	YFRQMONBHDSPIS-UHFFFAOYSA-N	320.368	1.008	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1ccc(-n2cncn2)cc1	842553160	DQTBUSDKYIRQHJ-DOMZBBRYSA-N	313.361	1.533	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)NNc2oc(C(C)C)nc2C#N)C1	746840143	PVEUQAURSBDTSA-HNNXBMFYSA-N	319.365	1.371	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSc1ccc2[nH]ncc2c1	840211048	APLCQBDTMOVLNF-UHFFFAOYSA-N	306.391	1.849	50	20	DDGD	
NC(=O)[C@H]1CC[C@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	847601310	OUQNNUJSUOKEHJ-JGVFFNPUSA-N	312.713	1.203	50	20	DDGD	
C[C@]1(CNC(=O)N2CCO[C@@H](C#N)C2)C[C@H]1Br	856955340	LCFKLHQWJABQIZ-IQJOONFLSA-N	302.172	1.094	50	20	DDGD	
Cc1cc(N(C)C)ccc1NC(=O)NNC(=O)c1ccncc1	755809697	OCANKLTUBZVTOF-UHFFFAOYSA-N	313.361	1.923	50	20	DDGD	
O=C(NNC(=O)N1C[C@H]2CCCC[C@H]2C1)c1cccc(F)n1	852709645	CQWNWKIRSXNKBU-PHIMTYICSA-N	306.341	1.697	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1c(C)cccc1OC(F)F	756373254	VHAKZGFFOLEOGJ-UHFFFAOYSA-N	317.292	1.786	50	20	DDGD	
Cc1ccc(NNC(=O)NCCN2CCOC(C)(C)C2)cc1F	853609629	HVOBZRHHVQVBCJ-UHFFFAOYSA-N	324.400	1.871	50	20	DDGD	
Cc1cc(C)n(CCCC(=O)NNC(=O)c2ccccc2)n1	929154213	XWRWLPUSWOJYRS-UHFFFAOYSA-N	300.362	1.741	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cccc2[nH]ccc12	854280378	RAHPHNNFJZNAIO-UHFFFAOYSA-N	320.418	1.656	50	20	DDGD	
O=C(Cc1cc(Cl)cc2c1OCC2)NNC(=O)C1CCC1	755309995	NFMWPPAIMNSPFJ-UHFFFAOYSA-N	308.765	1.765	50	20	DDGD	
COCCCNC(=O)NN=Cc1cc(Cl)c(O)c(OC)c1	920829148	ASGHUHLTAGDNDI-UHFFFAOYSA-N	315.757	1.724	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2ccc([N+](=O)[O-])cc2F)CCC1	855621054	JNOFHDBUZNXVNI-UHFFFAOYSA-N	310.285	1.093	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC(=O)c2cccn21)OCC(F)(F)F	856020290	BDNVCZBGRFMUPO-MRVPVSSYSA-N	319.239	1.325	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NC[C@]1(C)C[C@H]1Br	857732511	ANQYMQPJZXEUDQ-XLDPMVHQSA-N	306.204	1.113	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)/C=C(/C)c1ccccc1	854279918	GSVHONLPPAEDPC-SEYXRHQNSA-N	321.446	1.964	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCN(C(C)(C)C)C2)cn1	855161731	CMGYOGSYOPPWHD-FEZXJWFHSA-N	315.421	1.564	50	20	DDGD	
CCc1ccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)c(O)c1	855099782	NISNQQHQLPHWPZ-VIFPVBQESA-N	307.419	1.862	50	20	DDGD	
O=C(NCCO[C@H]1CCOC1)NNc1cc(F)c(F)cc1F	927516625	YXIRYSVFIHDRGZ-QMMMGPOBSA-N	319.283	1.536	50	20	DDGD	
CC(C)(C(=O)NC[C@]1(C)C[C@H]1Br)N1CCOCC1	857391059	KUEWVRJGDFXVTD-MFKMUULPSA-N	319.243	1.387	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)NCc1nnnn1C1CC1	920821383	GVPVAVYWNZRONM-UHFFFAOYSA-N	321.772	1.796	50	20	DDGD	
CC(=O)c1cccc(CNC(=O)NNC(=O)[C@H]2CCCCO2)c1	923100395	DJPDNFWQEUHEPM-CQSZACIVSA-N	319.361	1.289	50	20	DDGD	
C[C@@]1(CNC(=O)c2cc3n(n2)CCCO3)C[C@H]1Br	857391929	WBUCPFXJBZELAT-SKDRFNHKSA-N	314.183	1.569	50	20	DDGD	
CNS(=O)(=O)C[C@H]1CCCN1/C(=C/C#N)c1ccc(F)cc1	750800932	IYODGTLNECDHAD-VLHYRRCOSA-N	323.393	1.704	50	20	DDGD	
CO[C@H](C)CNC(=O)NNC(=O)Cc1ccc2ccccc2c1	852536699	FNSQWZCWGMVIBA-GFCCVEGCSA-N	315.373	1.748	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN[C@H](C)[C@@H]2CCCOC2)c1	754569013	XCIBBVDPQYPKDZ-UKRRQHHQSA-N	319.405	1.161	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)CCCNC(=O)C(C)(C)C)cn1	853409359	VXPMTFULJHQIGW-UHFFFAOYSA-N	321.425	1.686	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	758908627	HOLIHSQKGZLOBP-JTQLQIEISA-N	322.365	1.105	50	20	DDGD	
O=C(COC(=O)CCC1CCC1)NNC(=O)c1cccs1	750387518	JDPLRNVLQHBSTM-UHFFFAOYSA-N	310.375	1.633	50	20	DDGD	
CCCn1nccc1C(=O)NNC(=O)COc1ccccc1F	854192377	DZXUNOVRCLXZAJ-UHFFFAOYSA-N	320.324	1.272	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cccc(OC2CCCC2)c1	755660769	YGEHHXMKSZCLMA-UHFFFAOYSA-N	307.350	1.807	50	20	DDGD	
CCc1nncn1CCNC(=O)NNc1ccc(C)c(F)c1	853802535	ZARURMJFFDXOTA-UHFFFAOYSA-N	306.345	1.614	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCC(=O)NCC1CC1	754549121	JDXFOSFHOCZQIR-QPEQYQDCSA-N	300.314	1.369	50	20	DDGD	
Cn1nc(NC(=O)NNC(=O)[C@@H]2CCCCO2)c2ccccc21	934440437	UOLKHSWNPRGRNC-LBPRGKRZSA-N	317.349	1.295	50	20	DDGD	
CC(=NNC(=O)c1cn[nH]c1)c1ccc2c(c1)C(C)(C)C(=O)N2	863155091	WUIXIJMFKATEIG-UHFFFAOYSA-N	311.345	1.793	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cc2cccnc2[nH]1	863101872	LKGQGCKEEFFNGW-UHFFFAOYSA-N	308.210	1.995	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H](C(N)=O)c1ccccc1	866440560	RDWBSGXTBRRLLB-LLVKDONJSA-N	318.826	1.397	50	20	DDGD	
O=C(NNc1ccccc1F)c1cncc(N2CCCC2)n1	866867315	MCQCCZLRVMQUTC-UHFFFAOYSA-N	301.325	1.973	50	20	DDGD	
CN(C)CCCOc1ccc(NC(=O)NNC(=O)C2CC2)cc1	764645816	LIDAZSPIMOYTNW-UHFFFAOYSA-N	320.393	1.580	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H]2CCCCC2(F)F)n[nH]1	869018015	XWGSSUCTERCEKC-SNVBAGLBSA-N	300.309	1.234	50	20	DDGD	
CCc1cc(C(=O)NNCC(F)(F)C(F)(F)F)c(C)nn1	863100173	NTVBEILPYJMFLX-UHFFFAOYSA-N	312.242	1.779	50	20	DDGD	
CCn1ccc(CC(=O)NNCC(F)(F)C(F)(F)F)n1	863102567	NRASXRJSQGBLRY-UHFFFAOYSA-N	300.231	1.264	50	20	DDGD	
C[C@@H](NS(=O)(=O)CC(C)(C)CCl)c1nnnn1C1CC1	867187005	VXTZVCYDQISYAG-MRVPVSSYSA-N	321.834	1.253	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCC(=O)CCNC(=O)C(F)(F)F	869504850	SRRMXEVOJWZPSM-UITAMQMPSA-N	318.251	1.027	50	20	DDGD	
CCCCOc1ccc(C(C)=NNC(=O)[C@@H]2CCC(=O)N2)cc1	863150941	ATKFTCGUGDZKIZ-HNNXBMFYSA-N	317.389	1.984	50	20	DDGD	
Cc1nn(CC(=O)NNc2cnccn2)cc1-c1ccccc1	768216089	MSPJZDSTFWMISC-UHFFFAOYSA-N	308.345	1.792	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1	864430500	ZHWJPOSJAUYFNK-RYUDHWBXSA-N	321.377	1.691	50	20	DDGD	
Cc1cc(NNC(=O)c2cnc([C@@H]3CCCO3)s2)ncn1	760569223	ZHIGKECVZZCDSR-VIFPVBQESA-N	305.363	1.850	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cnc2c(c1)CCCC2	764084176	UEWVUNAIPCCXSO-SNVBAGLBSA-N	318.377	1.092	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H]1CCN(C)[C@@H]1C	873770347	IQQZSTJFWLDRLL-GHMZBOCLSA-N	322.434	1.353	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@]1(C)CC(c2ccccc2)=NO1	874247310	PNWCGIHCGIZZHM-OAHLLOKOSA-N	304.350	1.309	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1ccc(C(=O)N2CCCC2)cc1	872368023	ONFQPEDBTOXCEM-UHFFFAOYSA-N	303.362	1.144	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CN(C)C(C)C)c1	873755126	UUTWIPDMLUZQLJ-UHFFFAOYSA-N	308.451	1.961	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCc2cc(OC)ccc21	872354586	DNJOGDSKQUXBSU-NSHDSACASA-N	306.362	1.513	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N[C@H]2CCC[C@H]2CCO)c1	779710369	FLFYKLSZZWYNKK-JSGCOSHPSA-N	316.361	1.053	50	20	DDGD	
COCCOCC(=O)NN=C1CCc2cc(OC)c(OC)cc21	872400099	HTXBQZZFQQUICW-UHFFFAOYSA-N	322.361	1.133	50	20	DDGD	
CC1(OCC(=O)NNC(=O)c2ccc3c(c2)OCCO3)CCC1	772975956	PMAZMLGLZGHHJH-UHFFFAOYSA-N	320.345	1.178	50	20	DDGD	
C[C@@H](O)c1ncc(C=NNC(=O)CCc2ccccc2O)s1	773052239	ARTGFQLYHNAGNR-SNVBAGLBSA-N	319.386	1.985	50	20	DDGD	
C#C[C@@H](NC(=O)c1c(C)nn(CCCl)c1C)[C@H]1CCCO1	775328791	NVUFXGJTKCWAHZ-CHWSQXEVSA-N	309.797	1.649	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1ccc2nnc(O)n2c1	774790988	MPPOCBRAULEWIC-UHFFFAOYSA-N	321.300	1.135	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2Cc3ccccc3CN2)C[C@H]1Br	1118810586	VNWUWQACGAELRD-UMVBOHGHSA-N	323.234	1.991	50	20	DDGD	
COC(=O)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1C	1116195365	CWSRWIBTFJQHHH-UHFFFAOYSA-N	300.318	1.112	50	20	DDGD	
CCOC(=O)N1CC[C@H](NC(=O)NNc2cccc(C)n2)C1	875502183	LURNXFBHPOVJHP-NSHDSACASA-N	307.354	1.247	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cnc(CCOC)s1	872335697	FFIKJXVXOFXWNF-UHFFFAOYSA-N	312.439	1.514	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc2ncccc2c1	772053768	JXEQXAZJJXFBKD-SNVBAGLBSA-N	315.329	1.338	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1sccc1C(C)C	772044199	TWHPDVKYPKPFSG-SECBINFHSA-N	312.391	1.974	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CCOC[C@@H]1CCCO1	772876804	YTHYEHIXAAOEAO-LBPRGKRZSA-N	308.382	1.629	50	20	DDGD	
C[C@H](CNC(=O)C1CCC(Cl)CC1)CN1CCOCC1	1123682124	AZUYGWYTZOHEHB-IYXRBSQSSA-N	302.846	1.869	50	20	DDGD	
Cc1nc(C(C)C)nc(O)c1C(=O)NNC(=O)c1ccccn1	884098731	SSJKNDMUVOHQQI-UHFFFAOYSA-N	315.333	1.084	50	20	DDGD	
O=S(=O)(CCCCl)N1CC[C@H](OCc2ccccn2)C1	882000873	GUTPBGCCJNZLKT-ZDUSSCGKSA-N	318.826	1.631	50	20	DDGD	
Cc1ccc(S(C)(=O)=O)cc1NC(=O)NNC(=O)C(C)C	782550553	PPFHTJXBVPECGE-UHFFFAOYSA-N	313.379	1.207	50	20	DDGD	
CC1(CNC(=O)NNC(=O)c2cccnn2)CCCCCC1	883554972	KRUCPKMCRCDHHN-UHFFFAOYSA-N	305.382	1.781	50	20	DDGD	
CC1(C)CCC(CNC(=O)NNC(=O)C2CCOCC2)CC1	883540078	SZXXUKZQNZSEQT-UHFFFAOYSA-N	311.426	1.960	50	20	DDGD	
Cc1ccc(CCCCC(=O)NNC(=O)c2cccnn2)cc1	882060825	WORGAKHXWQOZSL-UHFFFAOYSA-N	312.373	1.959	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC(C)C)c(OC(F)F)c1	789748877	ZTWYMAFRJVNGGY-UHFFFAOYSA-N	317.292	1.649	50	20	DDGD	
C[C@@H]1C[C@H](CC(=O)NNC(=O)N2CCN(C)CC2)CC(C)(C)C1	788165776	GVKCBJNWGWKRTP-ZIAGYGMSSA-N	324.469	1.827	50	20	DDGD	
O=C(NCc1ncnn1-c1ccccc1)NNc1ccccn1	787348194	NOYHVFBRBMBSJL-UHFFFAOYSA-N	309.333	1.489	50	20	DDGD	
O=C(NNC(=O)C12CCC(CC1)C2)c1cccc([N+](=O)[O-])c1	783685358	MZHWHBGGVYUZBT-UHFFFAOYSA-N	303.318	1.936	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)c1cccnn1)CC(F)(F)F	883691610	LBBBHMRYABNSAL-QMMMGPOBSA-N	319.287	1.399	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H]2CCCN2C(C)C)cc1	891957833	MRBPPVAQVJJRHT-OAHLLOKOSA-N	318.421	1.427	50	20	DDGD	
C[C@H](O)c1ncc(C(=O)NNC(=S)NC(C)(C)C)s1	899997538	XJGQQPSFGFQXOV-LURJTMIESA-N	302.425	1.104	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCc2nccs2)c1	780826105	BGOOXRKDRXDUFD-UHFFFAOYSA-N	320.374	1.799	50	20	DDGD	
O=C(NNc1nccnc1Cl)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42	795104925	ZHRFGFFUCDBBQU-JJOYTJOQSA-N	316.792	1.967	50	20	DDGD	
Cn1cnc2cccc(C(=O)NNc3nccnc3Cl)c21	798170094	JOCNJGQZDJISRR-UHFFFAOYSA-N	302.725	1.774	50	20	DDGD	
C=C(CBr)CN1CCN(CC(C)(C)O)[C@@H](C)C1	791534506	VZCMJYDOHPYXMR-LBPRGKRZSA-N	305.260	1.715	50	20	DDGD	
C[C@@H](Oc1ccc(/C=C(/C#N)C(N)=C(C#N)C#N)cc1)C(=O)O	794685669	IQDSSUYKPYHASV-GWHHBTOMSA-N	308.297	1.705	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNC(=O)NC2CCCC2)c1C	794254176	IGVWBETUDQKGSL-UHFFFAOYSA-N	307.398	1.335	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2(O)CCCC2)c2ccccc2n1	799009048	IQDBGLCNYVIGLC-UHFFFAOYSA-N	313.357	1.609	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNC(=S)NC(C)(C)C)c1C	794213116	ZNKFPGZCBQSNIH-UHFFFAOYSA-N	311.455	1.356	50	20	DDGD	
C[C@H]1CCC[C@H]1CNC(=O)NNc1nc(O)c2cnn(C)c2n1	798511753	RTAUEMWVHSPOMU-IUCAKERBSA-N	319.369	1.131	50	20	DDGD	
CC(=O)Nc1ccc(CC(=O)NNc2nc3ccccn3n2)cc1	791241343	DTPMCMUPDJNYGR-UHFFFAOYSA-N	324.344	1.374	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNc2c(F)cccc2F)nn1	799232512	GWFPWZRTRGCLKM-UHFFFAOYSA-N	323.259	1.690	50	20	DDGD	
CCOC(=O)[C@@H](CC)S[C@@H](C)C(=O)NNC(=O)CC(C)C	794429410	WAIMKOGGMRCNKW-WDEREUQCSA-N	318.439	1.643	50	20	DDGD	
Cn1ncc2c1C[C@@H](C(=O)NNc1cnnc3ccccc13)CC2	799100669	XTEQGTMGFLGBSF-NSHDSACASA-N	322.372	1.612	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cncn1-c1ccccc1)n1cccn1	1317938766	BNCVTBOQYYKUPO-GFCCVEGCSA-N	324.344	1.091	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2	249091413	VYWAKSGTADCSLS-IJLUTSLNSA-N	307.843	1.882	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccnc(C3CC3)n2)cc1	1318493581	SWXIQRGCCKOYAB-UHFFFAOYSA-N	312.329	1.437	50	20	DDGD	
Cc1nnc(-c2ccc(C(=O)NNC(=S)NC(C)C)cc2)o1	1318845910	OJZMVKIQSXRJQN-UHFFFAOYSA-N	319.390	1.562	50	20	DDGD	
CN1C(=O)C[C@H](C(=O)NNc2ncncc2F)c2ccccc21	1324359061	FMGMYIFYSVGDSM-JTQLQIEISA-N	315.308	1.209	50	20	DDGD	
CC(C)(C)OC(=O)CCCC(=O)NNC(=O)c1ccccc1O	1327190471	SCPGOQOLXARQST-UHFFFAOYSA-N	322.361	1.665	50	20	DDGD	
O=C(NN=Cc1cnn(CC(F)F)c1)c1n[nH]c2c1CCCC2	1324430736	WVYBBJHITBRMPD-UHFFFAOYSA-N	322.319	1.514	50	20	DDGD	
COc1ccc(CN2CC[C@H](B(O)O)C2)cc1Br	585077804	YGRQMFWSAAKOCV-JTQLQIEISA-N	313.988	1.506	50	20	DDGD	
Cc1cc(Br)cc(NC(=O)NNC(=O)CCO)c1	1324195953	SKXJPAZVCVQEML-UHFFFAOYSA-N	316.155	1.293	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)N(C)C(=O)c1cccc(CCl)c1	688488239	LVRDPKKUCXGWSB-JTQLQIEISA-N	303.811	1.931	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=O)Cc2cccnc2)c1C	1337125222	ZFILPVPKRLZABX-UHFFFAOYSA-N	301.350	1.000	50	20	DDGD	
C[C@@H]1CN(Cc2ccccn2)CCC1=NNC(=O)c1cccnn1	1331343990	DFRBZAJPWJIGQM-CYBMUJFWSA-N	324.388	1.499	50	20	DDGD	
COc1cc(C=NNC(=O)CCO)c(F)cc1Br	1332318436	LELMXQGHJIDJSD-UHFFFAOYSA-N	319.130	1.429	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@@H]2CCC[C@H](F)C2)c1	1332070149	KPKNQJDHECDHGN-QWHCGFSZSA-N	323.368	1.985	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](C(=O)NNC(=O)Nc2ccccc2C)C1	1336481445	TYETUBPPPMPEPX-PHIMTYICSA-N	305.334	1.347	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cnn3c2NCCC3)cc1	1263701204	VMOIAYRSRMNSPK-UHFFFAOYSA-N	313.361	1.336	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cnoc1C(C)C	1347261193	BODNKECAJUPYLP-UHFFFAOYSA-N	314.411	1.286	50	20	DDGD	
CC(C)[C@H](NC(=O)NNC(=O)C1CCCC1)c1cnn(C)c1	1341294577	HGSGWUVOCYMGPN-ZDUSSCGKSA-N	307.398	1.638	50	20	DDGD	
O=C(Cc1ccsc1)NNC(=O)NC[C@@H]1CCCCCN1	1346698361	CUURRMRXSFXXGV-LBPRGKRZSA-N	310.423	1.153	50	20	DDGD	
C[C@H]1C[C@@H](C)CN1C(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1347966828	JHFXFNQVXWKUPN-COMAGPEQSA-N	317.227	1.533	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)Cc2cc(C3CC3)no2)cc1	1602127177	IKZQSFCHWILIRY-UHFFFAOYSA-N	315.329	1.865	50	20	DDGD	
CC[C@H](CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C)C(=O)O	1603549860	FWIVBMDVWQTVKV-MYMMUUHESA-N	314.345	1.339	50	20	DDGD	
Cc1ccc(NNC(=O)c2cn(C3CCC3)nn2)cc1C(=O)O	1600461132	AMQYERAHWRBWSJ-UHFFFAOYSA-N	315.333	1.767	50	20	DDGD	
O=C(Cn1ccc(C(=O)O)n1)NNc1cccc(F)c1Cl	1608378239	VIBDMGMVVFXHCQ-UHFFFAOYSA-N	312.688	1.517	50	20	DDGD	
O=C(CCc1ccncc1)NNc1ccc(C(=O)O)cc1F	1601292382	BQVRUAPQVWUIJQ-UHFFFAOYSA-N	303.293	1.995	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)c1cccc(O)c1	1603019099	AHUUXCGOHNLARM-SNVBAGLBSA-N	324.344	1.819	50	20	DDGD	
N#CCCn1cc(C=NNC(=O)NCC(=O)O)c2ccccc21	1608184318	WRSGWZHQMPOEMO-UHFFFAOYSA-N	313.317	1.273	50	20	DDGD	
C[C@@H]1CNC[C@H]1CNC(=O)NNc1ccc(C(=O)O)c(F)c1	1607441021	NSGJTCORWYJRPC-BDAKNGLRSA-N	310.329	1.006	50	20	DDGD	
CC(C)Cn1ccc(C(=O)NNc2ncccc2C(=O)O)n1	1603054389	QMPUNJASXVZKAD-UHFFFAOYSA-N	303.322	1.389	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)NC[C@@H]2CCCS2)cc1	1602127906	DXKBYXPPBXBREH-LBPRGKRZSA-N	309.391	1.835	50	20	DDGD	
O=C(O)c1cccc(C(=O)NNc2ccc(F)c(F)c2F)n1	1610844589	QBYOZJXNUUBFCW-UHFFFAOYSA-N	311.219	1.954	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)Nc1nn(C)c(C)c1CN	1579708354	OUDWARCWNHLFSY-UHFFFAOYSA-N	306.345	1.783	50	20	DDGD	
C[C@@]1(C(=O)NNc2cc(C(F)(F)F)ccc2F)C[C@H](O)CN1	1576350260	MYJNIFHYYNAGFR-UFBFGSQYSA-N	321.274	1.401	50	20	DDGD	
CC(C)(F)C(=O)N1CCCC12CN(C(=O)C(Cl)Cl)C2	1842850325	JOSMNLIFRRIVOP-UHFFFAOYSA-N	311.184	1.742	50	20	DDGD	
CCOCCC(=O)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846389261	VLFJGZIFCNOQPY-UHFFFAOYSA-N	323.220	1.420	50	20	DDGD	
CC[C@H](OC1CCCC1)C(=O)NNc1ccc(C(=O)O)cn1	1595355719	KBOPUFZEAFWORH-LBPRGKRZSA-N	307.350	1.961	50	20	DDGD	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNc1ccc2c(=O)[nH]ccc2c1	1594228261	UYNRCUZMTAFBKQ-GLEZIHRCSA-N	301.302	1.082	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NC[C@](C)(C(=O)O)c1ccccc1	1590037149	HEPHDIGASHFAMF-DMIOIOJGSA-N	302.330	1.589	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1cc(-c2nn[nH]n2)ccc1F	1591044517	VQCLMPYJBGPIED-UHFFFAOYSA-N	318.139	1.882	50	20	DDGD	
C[C@@]1(C(=O)NN=Cc2cc(C(=O)O)c3n2CCCC3)CCCO1	1593756192	GTJLMJPPBWQVKW-INIZCTEOSA-N	319.361	1.542	50	20	DDGD	
CO[C@](C)(C(=O)O)C(=O)NNc1cc(Cl)nc(Cl)c1	1593926235	FANORKJPCYQJAX-JTQLQIEISA-N	308.121	1.321	50	20	DDGD	
CCOC(=O)c1cc(C(=O)NNc2ccccc2C(=O)O)on1	1596702415	AWBBIGPKYDBVMS-UHFFFAOYSA-N	319.273	1.306	50	20	DDGD	
O=C(O)CCOc1cccc(C=NNC(=O)c2cc[nH]n2)c1	1776092103	XUPCTYVKAWUCPF-UHFFFAOYSA-N	302.290	1.027	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc3ccccc3c2O)[nH]n1	151189513	SWZOLGCEQFAHED-UHFFFAOYSA-N	310.313	1.652	50	20	DDGD	
Cn1c(=O)[nH]c2ccc(C(=O)NNc3cccc(C#N)c3)cc21	152732492	HZROESYSZHXXNT-UHFFFAOYSA-N	307.313	1.495	50	20	DDGD	
O=C(COc1ccc(Cl)cc1)NNc1ncnc2nc[nH]c12	156247790	ZIBHXAGYPFZDFU-UHFFFAOYSA-N	318.724	1.528	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ccncc1Cl)N1CCCC1=O	154590639	NYZRKAPRTWQXSH-ZDUSSCGKSA-N	310.785	1.825	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCCc1cscn1	159556524	IMJXLAJPYGWVTK-UHFFFAOYSA-N	318.402	1.649	50	20	DDGD	
CC(C)C(=O)NCCNS(=O)(=O)c1ccc(CCl)cc1	312425527	ZJBUBAZUHLEBQT-UHFFFAOYSA-N	318.826	1.476	50	20	DDGD	
C[C@H]1CC(=O)NCCN1S(=O)(=O)c1ccc(CCl)cc1	707192198	CEDGHGRJNCUVFH-JTQLQIEISA-N	316.810	1.325	50	20	DDGD	
CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(S(=O)(=O)CCCCCl)C[C@@H]3C2	375679718	OCKYZSQHCGXUIG-PJSNJIKXSA-N	307.843	1.690	50	20	DDGD	
COC(=O)[C@H](NS(=O)(=O)c1ccc(CCl)cc1)C(C)C	380330389	WLLUZUMOTLKWHO-GFCCVEGCSA-N	319.810	1.901	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)c2ccc(CCCl)cc2)C[C@@H]1O	388056503	PJGIEJLMVZSKCJ-MFKMUULPSA-N	303.811	1.469	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CC=CCC2)cc1OC	3098058	JCQVDVLPTZRSNJ-NSHDSACASA-N	304.346	1.821	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)CC(C)(C)C)NC(=O)C1CCCC1	103196427	HIRKCSPBQXDDOE-NSHDSACASA-N	311.426	1.655	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc2ccccc2o1	8194545	IXZOPJYUUDLFTQ-UHFFFAOYSA-N	321.402	1.920	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2n[nH]c3c2CCC3)cc1	102890661	ZWPMSJVWFRXXJO-UHFFFAOYSA-N	313.361	1.080	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cccc(C#N)c2)cccc1[N+](=O)[O-]	103403100	ZHJSCUDBBBYTLW-UHFFFAOYSA-N	324.296	1.850	50	20	DDGD	
O=C(NNC(=O)c1cccnc1C(F)(F)F)c1cccnc1	179903406	HVRUUQBQLJKRDB-UHFFFAOYSA-N	310.235	1.570	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1	24607981	QBWBLKOLQXWYLH-NSHDSACASA-N	321.352	1.372	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)[C@H]1C[C@@]12CCc1ccccc12	173970543	YOCZTQXTHKFXFY-SJKOYZFVSA-N	320.356	1.700	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc(OCCOC)cc1	107099174	XRYSVZQFFCCYJK-QINSGFPZSA-N	318.373	1.771	50	20	DDGD	
CCCN(CCC)CCCC(=O)NNC(=O)c1c[nH]nc1C	110758003	AVGBJZDJWXUNCG-UHFFFAOYSA-N	309.414	1.381	50	20	DDGD	
COc1ccccc1S(=O)(=O)NNC(=O)CC(C)(C)C	103060380	YQMOEKWZYJOGMK-UHFFFAOYSA-N	300.380	1.441	50	20	DDGD	
O=C1COc2ccc(C(=O)NNc3ccc(F)cc3)cc2N1	60664833	WMEAYSNWGFQRAN-UHFFFAOYSA-N	301.277	1.914	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CC[C@H]2CC[C@H](C)O2)cc1	174980387	DARMGJZYXRMLMR-DZGCQCFKSA-N	320.389	1.869	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CC[C@@H]2CC[C@@H](C)O2)cc1	174980404	DARMGJZYXRMLMR-HIFRSBDPSA-N	320.389	1.869	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@]1(C)Cc2ccccc2C(=O)O1	25597622	SCGRNZJTEBEHHK-HNNXBMFYSA-N	321.402	1.062	50	20	DDGD	
CSC[C@H](C)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	66754215	VZPJPLPSAQXABK-VHSXEESVSA-N	314.382	1.740	50	20	DDGD	
O=S(=O)(c1ccc(CCl)cc1)N(CCO)C1CCC1	302560172	YASIUFPFAMYUOX-UHFFFAOYSA-N	303.811	1.961	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1cc(F)c(F)c(F)c1	175513987	MHQNHFDREXMEJV-MRVPVSSYSA-N	306.284	1.989	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCc2cccc(C)c2)n1	175415920	AAZQPBFJHDCGDO-UHFFFAOYSA-N	315.377	1.971	50	20	DDGD	
CCN(CC(=O)NC)S(=O)(=O)c1ccc(CCl)cc1	302499915	KZLBOBSLWJSEGN-UHFFFAOYSA-N	304.799	1.182	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCCO2)Nc1ccccn1	67297163	QWPMTAVUHZHDNJ-UHFFFAOYSA-N	314.301	1.319	50	20	DDGD	
C[C@H](Oc1ccc(F)c(F)c1)C(=O)NNC(=O)c1cccn1C	65836407	WYTGVZOFXVVHKT-VIFPVBQESA-N	323.299	1.532	50	20	DDGD	
Cc1nn(C)cc1[C@H](C)NC(=O)NNc1ccc(Cl)nn1	69334104	SVMCNBYBRGABNO-ZETCQYMHSA-N	309.761	1.559	50	20	DDGD	
C[C@H]1CC[C@H](CCC(=O)NNC(=O)COCc2ccccc2)O1	174086246	IWOWSIBVUQJJGV-DZGCQCFKSA-N	320.389	1.698	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)ncc1Cl)c1ccncc1	121910221	SQRPPYWMRIPYJG-UHFFFAOYSA-N	311.128	1.858	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1ccc(CC(C)C)cc1	65207331	MONKNXCNUGNSLS-UHFFFAOYSA-N	321.421	1.795	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1ccnc(O[C@@H]2CCOC2)c1	184570613	OJJVVZZAOCSLAF-GFCCVEGCSA-N	318.308	1.540	50	20	DDGD	
COc1cccc(NNC(=O)Cc2n[nH]c3c2CCCC3)n1	189076292	ONTHJXDTDOMGCR-UHFFFAOYSA-N	301.350	1.378	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)C2(O)CCCCC2)c1	182150254	POQHKNQROBXMRO-UHFFFAOYSA-N	312.391	1.228	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cn(-c2cccc(Cl)c2)nn1	188268259	MWFKRXXWPGTTIJ-UHFFFAOYSA-N	321.768	1.728	50	20	DDGD	
CCc1ccccc1CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	188178791	OJLVETKWDJDAPQ-OAHLLOKOSA-N	324.446	1.284	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cc2ccccc2F)cc1O	188469731	WRNOYUFXPQOCDK-UHFFFAOYSA-N	313.288	1.407	50	20	DDGD	
CCC[C@@H]1CCCN(CC(=O)NNC(=O)c2ccccc2)C1	120825648	FJUGKOFKURHFHK-CQSZACIVSA-N	303.406	1.960	50	20	DDGD	
CCCc1cc(NC(=O)NNC(=O)c2ccc(C)o2)n(C)n1	183721738	DEUGZYBIAJGHIF-UHFFFAOYSA-N	305.338	1.741	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNC(=O)Cc1ccccc1OC	182581110	VGHBXZLRRVBVEN-GFCCVEGCSA-N	308.378	1.448	50	20	DDGD	
CCC(C)(CC)C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1	138238972	UNTKYWXKXYOOEP-CHWSQXEVSA-N	313.442	1.459	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2)c(O)c1	80387720	MVIKAQBERCTKHL-LBPRGKRZSA-N	314.341	1.929	50	20	DDGD	
CC(=O)N1CC(C(=O)NNc2ccc(C(F)(F)F)cc2)C1	191932339	SAKCHJZTNGSUDA-UHFFFAOYSA-N	301.268	1.627	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)CC(=O)NNc1nc2ccccn2n1	191924132	NGUOOYWJWHWLLD-VIFPVBQESA-N	314.349	1.971	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2ccc(Cl)cc2)nc(C)n1	130404306	CNAJLLBGMGYOCT-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(C)c2ccccc2n1	194442533	IYGODSLIVUBPDY-UHFFFAOYSA-N	316.361	1.524	50	20	DDGD	
CC(C)OCCCNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1	190251981	KYJMKKCYRWZXGV-AUWJEWJLSA-N	300.362	1.735	50	20	DDGD	
CCCOCC(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1	146848775	OZMCYFJFULXFCD-UHFFFAOYSA-N	324.377	1.670	50	20	DDGD	
CC(C)c1ccc(SCC(=O)NNC(=O)CN(C)C)cc1	265097168	VXYOTRTZPMDCMO-UHFFFAOYSA-N	309.435	1.611	50	20	DDGD	
C[C@@H](CO[C@H]1CCOC1)NC(=O)NNc1cccc([N+](=O)[O-])c1	267885252	PYYAQQAVNIPFSD-GWCFXTLKSA-N	324.337	1.415	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)COc2cc(C)cc(C)c2)O1	268259868	DRRDCPRVIAZFEM-HIFRSBDPSA-N	320.389	1.787	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCn1cnc2ccccc21	264837547	YXWULNOENXDYCS-UHFFFAOYSA-N	303.366	1.413	50	20	DDGD	
CC[C@H](C)Oc1ccc(C(=O)NNC(=O)N2CCOCC2)cc1	267392935	VMIZMVUZRRRAHP-LBPRGKRZSA-N	321.377	1.551	50	20	DDGD	
COC(=O)N(C)CC(=O)NNc1cccc(C(F)(F)F)n1	265766809	CBNFHPYCKFPKLD-UHFFFAOYSA-N	306.244	1.242	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@@H]1CCO[C@H]1C1CC1	360734019	NFGRATWSYUUUAQ-KGLIPLIRSA-N	318.377	1.898	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccccc1C[S@@](C)=O	274122389	XFGJFVOXWOSWLA-OAQYLSRUSA-N	311.407	1.764	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1ccc(O)c(C(=O)O)c1	275184682	ILJSRWICPBKYBY-WQLSENKSSA-N	318.329	1.540	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1cccnc1OCC(F)F	274040445	ATCHDGYHBYOAJJ-UHFFFAOYSA-N	300.265	1.288	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(F)c(NC(C)=O)c1	274330078	CPBAEEGKEZBTAR-UHFFFAOYSA-N	311.317	1.482	50	20	DDGD	
NC[C@@H]1CN(C(=O)CCCC[C@H]2CCSS2)CCO1	368416971	OEHUQRQMWDCKBZ-NEPJUHHUSA-N	304.481	1.887	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNC(=O)CC(C)C)ccc1N(C)C	274041202	FIIVSMSECLNVAW-UHFFFAOYSA-N	320.393	1.193	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)NO[C@H]1CCCCO1	275152431	SFOBJZTUYLZBLT-ZDUSSCGKSA-N	319.317	1.835	50	20	DDGD	
C[C@H](NC(=O)[C@@H](Br)C(C)(C)C)c1ncnn1C	276864538	KNVQPXBRIWUCEZ-JGVFFNPUSA-N	303.204	1.802	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@]1(C)CCCOC1	272660099	HQDSGWJHLNYNIG-KRWDZBQOSA-N	320.389	1.592	50	20	DDGD	
O=C1CCC[C@@H](C(=O)NNc2ccccc2C(F)(F)F)N1	270293310	OTNNWOQFFMEOQO-JTQLQIEISA-N	301.268	1.817	50	20	DDGD	
CC(C)(C)n1ncnc1CNC(=O)NNc1ncccc1F	287191218	MFJLEKBIFNLGKZ-UHFFFAOYSA-N	307.333	1.394	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCn1cc(Br)cn1	286397925	JPNUMJMXAMETPL-CMDGGOBGSA-N	313.155	1.206	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)c2ccc(Cl)cc2O)CC1	281795560	CFWUZJXXTBBLLZ-UHFFFAOYSA-N	312.753	1.623	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2C[C@@]23CCOC3)c([N+](=O)[O-])c1	372052782	HOFRKQPPDUCMKB-IINYFYTJSA-N	307.306	1.473	50	20	DDGD	
CO[C@H]1CCN(C(=O)NNC(=O)c2ccc(C#N)cc2)[C@@H](C)C1	281965968	VLAUWLZLYDFUHB-FZMZJTMJSA-N	316.361	1.412	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ocnc1C1CC1	288193500	BPRKUGPZAWINMT-UHFFFAOYSA-N	315.329	1.564	50	20	DDGD	
Cc1noc(C2CCN(S(=O)(=O)CBr)CC2)n1	376266079	NFDFYTMRXBXJDG-UHFFFAOYSA-N	324.200	1.240	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)N[C@@H](C1CC1)C(F)(F)F	288703213	CYIIQFVGEFPALK-VIFPVBQESA-N	302.256	1.367	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)CNc1ccc(C)cc1C	280076102	VCWNWGGJAGNYQI-INIZCTEOSA-N	307.394	1.678	50	20	DDGD	
Cn1nnc2c1C[C@H](C(=O)NNc1cccc(Cl)c1)CC2	289801099	NSVCCVFOLXAMIC-SECBINFHSA-N	305.769	1.717	50	20	DDGD	
CCCCN(C)C[C@H](C)NC(=O)NNc1cncc(Cl)n1	290982576	QFSZTCNMHAWDID-JTQLQIEISA-N	314.821	1.877	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cn(-c2ccccc2Cl)nn1	299381444	NBHNNTKTUMLJGC-UHFFFAOYSA-N	321.768	1.728	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2cnn(C)n2)c(Cl)c1	803394519	GTBDLMFCFVOTIW-UHFFFAOYSA-N	308.729	1.243	50	20	DDGD	
CCOc1ccc(NNC(=O)C(=O)N2CCC[C@@H](C)C2)cc1	294313634	KXUKRQPRMCSQHI-GFCCVEGCSA-N	305.378	1.787	50	20	DDGD	
CCOCCCCNC(=O)NNC(=O)COc1ccc(C)cc1	298905524	CBJQKEWTBVMILT-UHFFFAOYSA-N	323.393	1.521	50	20	DDGD	
Cc1cc(Cl)c(NC(=O)C(=O)NNC(=O)C2CC2)cc1C	297513710	VALRPRLVBLHCIC-UHFFFAOYSA-N	309.753	1.453	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)N=c1cc[nH]cc1)c1ccccc1F	802036505	YUPUIXMDSMSRCO-SNVBAGLBSA-N	302.309	1.599	50	20	DDGD	
CCCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1ccc(C)s1	299190311	MVHDKKOGWJIBFC-LLVKDONJSA-N	323.418	1.609	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)CC[C@@H]2CCCO2)cc1	298290027	LHDALPGHQGKUOK-ZDUSSCGKSA-N	317.345	1.044	50	20	DDGD	
Cc1ccc([C@@H](C)NC(=O)NNC(=O)[C@@H]2CCCO2)c(C)c1	292086890	YJOUTKJSJWTUGR-OCCSQVGLSA-N	305.378	1.874	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H](SCC)C(C)C	807371437	LYQYJUSKSQUMND-LLVKDONJSA-N	320.455	1.701	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(OC(=O)OCC)cc1	800319355	FNEUZNFGNWPDSW-UHFFFAOYSA-N	323.374	1.517	50	20	DDGD	
O=C(Cn1cc(Cl)cn1)NNC(=O)c1cc2ccccc2o1	807012955	ZJHGYOIMPAYDSN-UHFFFAOYSA-N	318.720	1.744	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)C(=O)Nc1ccccc1F	815728631	MXNMKDMZCZYDNL-UHFFFAOYSA-N	308.700	1.956	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)Cc1cc[nH]n1)CCO2	814955487	JGRFSUMEAJUPHE-UHFFFAOYSA-N	300.318	1.264	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2ccc(O)c(O)c2)CC[C@@H]1C(=O)O	814921024	ROFVDJWVPWOAJW-KWQFWETISA-N	306.318	1.704	50	20	DDGD	
CCc1c(C(=O)NN(C)C2CC2)nnn1Cc1ccc(F)cc1	819651536	OKOIVMDGEDLWRC-UHFFFAOYSA-N	317.368	1.767	50	20	DDGD	
CCC(CC)(CNC(=O)NNc1nc(C)cc(C)n1)C(=O)O	818626731	HQNYUOCNPWELQA-UHFFFAOYSA-N	309.370	1.611	50	20	DDGD	
CON(CC(=O)NNC(=O)C1CC1)Cc1ccccc1Cl	810140750	BHWBPAJPSGQWFU-UHFFFAOYSA-N	311.769	1.261	50	20	DDGD	
O=C1CC(C(=O)NNC(=O)CC(F)(F)F)(c2ccccc2)C1	810179333	NRRXMSSRFGFXPJ-UHFFFAOYSA-N	314.263	1.387	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1cscc1C(F)(F)F	811635124	MQTGWHAGNBSABN-UHFFFAOYSA-N	319.308	1.839	50	20	DDGD	
CCN(Cc1ccc(C(=O)NNc2cnnn2C)cc1)C(C)C	816771181	BGOHFKXBBLEDMM-UHFFFAOYSA-N	316.409	1.802	50	20	DDGD	
CO[C@](C)(C(=O)NNc1ncncc1F)c1ccccc1F	817077980	VGBBPECYTCDIDU-AWEZNQCLSA-N	308.288	1.760	50	20	DDGD	
CC1(C)CN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C[C@@H](CO)O1	817277580	KIFLOPFWAIUWQS-ULIPXBITSA-N	317.345	1.931	50	20	DDGD	
CO[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2ccc(C#N)cc2)C1	814407805	NPKFWNMOSFSUIF-ZIAGYGMSSA-N	301.346	1.524	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CCc1ncccn1	812543155	HUIUNNJXVWSHAX-UHFFFAOYSA-N	300.318	1.339	50	20	DDGD	
CCO/C=C/C(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1	492969933	CIUDKZVUHMUJLS-CMDGGOBGSA-N	322.361	1.794	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(N(C)C)c2ccccc2n1	823927883	IDDIYDBWVKNEMZ-NSHDSACASA-N	302.378	1.258	50	20	DDGD	
C[C@@H]1CC[C@@H](C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	824899215	IENFUJLQBZUTGT-BXKDBHETSA-N	314.349	1.064	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(N2CCCCCC2)nc1	823960106	VZVPPQHLNZIRTQ-ZDUSSCGKSA-N	306.410	1.419	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2nn(C)c3c2CCCC3)n1	824043952	ILMNSQGSGHPKEH-UHFFFAOYSA-N	300.366	1.463	50	20	DDGD	
Cc1noc(CNC(=O)NNC(=O)c2c[nH]c3ccccc23)n1	727230515	QIIFOYFPXAUZMC-UHFFFAOYSA-N	314.305	1.004	50	20	DDGD	
C[C@H]1CCC[C@@]1(C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C	496994258	FYJWERYYQOXPFF-ZUZCIYMTSA-N	313.398	1.485	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Cc1cn(C)nc1C)c1ccccc1	823245085	ZIRSWCDYLZHVKK-OAHLLOKOSA-N	314.389	1.612	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H]1CCc2cncn2C1	825223266	ZZGGDBNJHDXXOB-SNVBAGLBSA-N	317.301	1.968	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC=CCC1	822192613	UDTXZSMFPCAWHJ-WMLDXEAASA-N	316.357	1.720	50	20	DDGD	
N#Cc1cccc(C(=O)NN=Cc2cc(-c3nn[nH]n3)cs2)c1	822837814	UPUVZLSZHOYECL-UHFFFAOYSA-N	323.341	1.564	50	20	DDGD	
C[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]2CCCC[C@H]21	584928240	GPWCPXVZQLBIEP-KCXAZCMYSA-N	301.195	1.407	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1cccnc1S	728076607	KNUHIQZTLXKTNZ-UHFFFAOYSA-N	314.330	1.572	50	20	DDGD	
C[C@H](c1ccccc1)N1CC[C@@H](NCc2ccccc2B(O)O)C1	585022787	ZQEWELNXUHFDAI-CRAIPNDOSA-N	324.233	1.292	50	20	DDGD	
COCCN(C)NC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C	496526301	UFTWTFXOHXQBJU-LBPRGKRZSA-N	315.414	1.385	50	20	DDGD	
O=C(NNc1ccccn1)c1ncc(-c2nn[nH]n2)cc1Cl	826449314	MFSZQUPEZPIDAP-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCc2ncnc(O)c2C1	490702348	YSFSMWSCJPHOPH-KPKJPENVSA-N	322.324	1.380	50	20	DDGD	
C[C@H]1CCCN(CCNC(=O)/C(C#N)=C\c2cnn(C)c2)C1	491052210	VFNRIBRQBIAGQO-PBTLCFMXSA-N	301.394	1.175	50	20	DDGD	
CSc1ccc(CCNCc2ccc(B(O)O)cc2)cc1	585039544	SVIKPPCXFGGBHI-UHFFFAOYSA-N	301.220	1.421	50	20	DDGD	
CC1=NO[C@](C)(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)C1	901373530	KCJURYCENWHMNF-BONVTDFDSA-N	323.324	1.295	50	20	DDGD	
CSCCCCCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	826537099	IGXZWEPCHNOPGJ-GHMZBOCLSA-N	303.428	1.275	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H](C(=O)NNc1cnccn1)C1CCC1	496821372	ZPMBGBULKOGTGO-GFCCVEGCSA-N	321.381	1.613	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)CCCC(=O)C(C)(C)C)n1	822208941	NPGMBWAERDURKB-UHFFFAOYSA-N	322.409	1.433	50	20	DDGD	
COc1cc(C#N)ccc1C(=O)NNC(=O)CC(F)(F)F	823369419	YWFXQGWXVRQICW-UHFFFAOYSA-N	301.224	1.280	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])[C@@H]1CC12CCSCC2	826896924	IRFMYKNFYROZFU-VIFPVBQESA-N	308.363	1.966	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NNC(=O)Nc1ccccc1	908049541	HRXWAUYSBTYXCM-YGRLFVJLSA-N	313.361	1.929	50	20	DDGD	
C[C@@H]1CCCN(C[C@@H](C)NC(=O)/C(C#N)=C\c2cnn(C)c2)C1	491088309	ZGUUFPRYNHFIGX-JVDHJZLLSA-N	315.421	1.564	50	20	DDGD	
CN(CCCC(=O)NN=c1sc2ccccc2n1C)C(=O)O	737427737	WEZKUOKORJZARF-UHFFFAOYSA-N	322.390	1.562	50	20	DDGD	
CCNC(=O)NNc1cc(C(=O)OC)ccc1Br	837573146	HLCOBKICTVJFSK-UHFFFAOYSA-N	316.155	1.882	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccncn1)NC(=O)OC(C)(C)C	836433739	IATHLGQJQGPZLH-VIFPVBQESA-N	310.358	1.016	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)NNc1ccc(C(=O)O)c(Cl)c1	833395992	WDOFLGMTAYSXLN-UHFFFAOYSA-N	313.741	1.396	50	20	DDGD	
O=C(/C=C/c1nc2ccccc2s1)N1CC[C@H](B(O)O)C1	585070351	VZPPBYPRRVLRKQ-PORFMDCZSA-N	302.164	1.385	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)C(=O)c1ccc2c(c1)CCC2	833250853	NEBWMPSAAXSFLN-AWEZNQCLSA-N	316.357	1.075	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H]2Br)CC[S@@](=O)C1	907748317	BHZRGOIVJOZCFW-OVRAVGDNSA-N	308.241	1.387	50	20	DDGD	
C[C@@H]1C[C@@H](C)N(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1	839493592	IAWBTSZUEADYEE-GHMZBOCLSA-N	320.349	1.086	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1C[C@H]2CCCCCC[C@H]21	584959685	KGTDYTZGLNAEAM-IAQYHMDHSA-N	305.158	1.300	50	20	DDGD	
C[C@@H](Cc1ccccc1F)NCc1ccc(B(O)O)cc1F	585018887	VXQINNPRHIRANH-NSHDSACASA-N	305.133	1.365	50	20	DDGD	
C[C@@]1(NC(=O)c2ccc(B(O)O)cc2)CCCc2ccccc21	584972515	YYXBQXKSSFAQJU-GOSISDBHSA-N	309.174	1.348	50	20	DDGD	
C[C@H]1CC[C@H](C)C(=NNC(=O)CNC(=O)c2cccnc2)C1	834962827	WRBLSHDBWHKUKZ-RYUDHWBXSA-N	302.378	1.740	50	20	DDGD	
C#CCCCC(=O)NN=C(C)CS(=O)(=O)c1ccccc1	901323991	DIEOMQCHWAPZIP-UHFFFAOYSA-N	306.387	1.756	50	20	DDGD	
CN1CCC[C@@H](CCNC(=O)NNC(=O)c2ccccc2F)C1	838773615	ZTMFTMMAAGSEAQ-LBPRGKRZSA-N	322.384	1.502	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](CC(=O)NNC(=O)[C@@H]2CCCCO2)CCO1	833243762	XGMHZFYVRJCVJR-IHRRRGAJSA-N	312.410	1.544	50	20	DDGD	
CO[C@@H]1COCC[C@@H]1CNC(=O)NNc1ncc(F)cc1F	838658763	KXMLWRGMQZRTPJ-LDYMZIIASA-N	316.308	1.037	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCCCC(=O)O)c1ccccc1	736850989	ZQLBXRBRAVRWPO-GFCCVEGCSA-N	307.350	1.375	50	20	DDGD	
Cc1ccc(C2(C(=O)N3CC[C@H](B(O)O)C3)CCOCC2)cc1	585071714	ZRQLZKQUNSODPK-HNNXBMFYSA-N	317.194	1.119	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](CN1CCCC1)c1ccccc1	831853956	LOWGFQPATKDLDK-HNNXBMFYSA-N	318.421	1.559	50	20	DDGD	
COCC1(C(=O)NNC(=O)COc2ccc(F)cc2)CCCC1	837310327	LWPHOISDYKRFOW-UHFFFAOYSA-N	324.352	1.559	50	20	DDGD	
CC(C)CCNC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1cnn(C)c1	837968552	DWOGHAKEIAGXFA-CWZJEYLYSA-N	318.377	1.421	50	20	DDGD	
COCCOc1ccccc1C=NNC(=O)[C@@H]1CCCCO1	834989256	QDCKCKLJJWHPCC-HNNXBMFYSA-N	306.362	1.731	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCOC[C@@H]1c1ccc(F)cc1	832124142	GLBYKJLLSAKQIL-CQSZACIVSA-N	323.368	1.002	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)c2ccncc2)c1OC	916968197	RUWKCZVYEUENNE-UHFFFAOYSA-N	316.317	1.565	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNc1nc(C(F)(F)F)cs1	839700300	GWPWTOQIGWSUFS-ZCFIWIBFSA-N	324.328	1.753	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)Cc1scnc1-c1ccccc1	910145157	QOAAYGPDMDVVAV-NSHDSACASA-N	305.403	1.696	50	20	DDGD	
N#Cc1ccc(CNC(=O)NNC(=O)C2CCCC2)cc1F	836425111	SUVAUUMLPMMLBD-UHFFFAOYSA-N	304.325	1.718	50	20	DDGD	
COC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)CC(C)C	746782761	YBNSJMNBFYTMTJ-CQSZACIVSA-N	307.394	1.621	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC[C@H](N)C(C)C)c(F)c1	841944607	MGRVQIBSRUKRSC-NSHDSACASA-N	312.345	1.222	50	20	DDGD	
CCCNCCNC(=O)NNC(=O)COc1cc(C)ccc1C	841961526	PVWFKHYICVQEJS-UHFFFAOYSA-N	322.409	1.012	50	20	DDGD	
O=C(O)COc1ccc(C=NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)cc1	844612327	CAYBFUVONCAATL-MGPQQGTHSA-N	318.329	1.168	50	20	DDGD	
C[C@H](SCc1ccccc1)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843644135	JXLQEDDJVUGIBK-OBJOEFQTSA-N	322.430	1.881	50	20	DDGD	
CCN(CC)C[C@H](C)NC(=O)NNc1nc(C)cc(OC)n1	746755457	DTFXGKZLRMVDPK-NSHDSACASA-N	310.402	1.150	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCCC#C[Si](C)(C)C)cn1	912326329	AUJRSONJQVCOQR-ZROIWOOFSA-N	300.438	1.714	50	20	DDGD	
O=C(NN=C1COc2cc(O)ccc21)c1ccc(Cl)nc1	915973126	FXLHKZBOAFOVFJ-UHFFFAOYSA-N	303.705	1.967	50	20	DDGD	
COc1ccc(C(=O)CCCC(=O)NN(C)C[C@@H](C)O)cc1	910169809	GDNDHXNMOLWPMG-GFCCVEGCSA-N	308.378	1.392	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1F)[C@H](C)O	842231892	BEIWWVLAKRANDJ-CBAPKCEASA-N	302.733	1.647	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCCOc1ccc(F)cc1	843644051	OBMGIYZYVYMINV-BXUZGUMPSA-N	324.352	1.557	50	20	DDGD	
COC(=O)[C@H](C)c1ccc(NC(=O)NNC(=O)C2CCC2)cc1	841772010	SYAVGUSHOUTQNU-SNVBAGLBSA-N	319.361	1.916	50	20	DDGD	
O=C(NCc1nc([C@H]2CCCO2)n[nH]1)NNc1ccc(F)cc1	847402958	WXHOJVYJXXVUEQ-LLVKDONJSA-N	320.328	1.622	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)/C=C/c2cnn(C)c2)o1	746303220	NGXQTPLEPFNGSE-SNAWJCMRSA-N	300.322	1.560	50	20	DDGD	
CC(=O)Nc1cccc(CNC(=O)NNC(=O)C2CCCC2)c1	916373433	AVZZXBLJRUEBOZ-UHFFFAOYSA-N	318.377	1.666	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cnn(-c2ccccc2Cl)c1	910168691	QDWNQZITKJAUOY-SNVBAGLBSA-N	308.769	1.483	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCCc1c(F)cccc1F	847462075	RFBNPDHYSYNXMD-UHFFFAOYSA-N	322.315	1.780	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1ccccc1Cl	842585496	AUKMKOHKPJAMBV-RKDXNWHRSA-N	318.782	1.075	50	20	DDGD	
CCn1cc(Br)cc1C(=O)NN(C)C[C@@H](C)O	910163288	ASIHWENCRZAOLR-MRVPVSSYSA-N	304.188	1.228	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCCc1nnc(S)o1	841424773	WDSNVHKBVQBQGH-ZETCQYMHSA-N	322.228	1.827	50	20	DDGD	
CCC(CC)(CO)C(=O)NNC(=O)c1ccc(OC)c(OC)c1	847284402	HRLSBSICYDTGOZ-UHFFFAOYSA-N	324.377	1.264	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccnn1-c1ccccc1	843658294	UHPRBIJHCGJIKI-WCQYABFASA-N	314.345	1.058	50	20	DDGD	
CC(C)CO[C@@H](C)C(=O)NNC(=O)COc1ccccc1F	915262194	SKAHEWOHOVUEPH-NSHDSACASA-N	312.341	1.413	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)NC[C@@H](C)N)c1	841983997	HIHTVCVHLSPMLQ-GFCCVEGCSA-N	322.409	1.175	50	20	DDGD	
Cc1ccc(OCCCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	843644899	GXIMYJABGOWTDF-UKRRQHHQSA-N	320.389	1.726	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)[C@H](C)[C@@H](C)S(C)(=O)=O)c1	841408958	OWPXVOJNRHWBSF-NXEZZACHSA-N	302.371	1.646	50	20	DDGD	
COc1cc(C=NNC(=O)NC2CCCC2)c([N+](=O)[O-])cc1O	743531359	SCEWLWKGFZSIAM-UHFFFAOYSA-N	322.321	1.885	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)c2ncccn2)cc1	841349698	AJLRDIPMMSDUSS-UHFFFAOYSA-N	314.345	1.730	50	20	DDGD	
CC(C)c1ccccc1OCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843650155	ZFYASICCPWMXRA-OCCSQVGLSA-N	320.389	1.761	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NC[C@@H](C(=O)O)C(C)C	848589570	MNNITSTVAJVCCW-CYBMUJFWSA-N	321.377	1.225	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)CC1C2CC3CC(C2)CC1C3	845103020	HRSUCVCRHIFIFE-UHFFFAOYSA-N	321.421	1.121	50	20	DDGD	
CC1(C)Cc2cccc(C(=O)NNC(=O)N3CCOCC3)c2O1	847403492	XHWWTXUNFVGMEN-UHFFFAOYSA-N	319.361	1.087	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCc2ccc(N)cc2)n1	841959428	XGLZOBSIWWYTOS-UHFFFAOYSA-N	316.365	1.245	50	20	DDGD	
COC(=O)c1ccc(/C=C(\C#N)S(=O)(=O)NC2CC2)cc1F	849250026	PAFMKVMQRQBHKV-IZZDOVSWSA-N	324.333	1.559	50	20	DDGD	
COCCOc1ccc(NC(=O)NNc2cnccn2)cn1	920212869	HJMIBINCRNRROU-UHFFFAOYSA-N	304.310	1.045	50	20	DDGD	
CN[C@H]1CCN(C(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)C1	846662483	SNFODODJZVBWTO-MRBYEJRBSA-N	301.228	1.760	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H](C)Cc2cccc(Cl)c2)nc1O	756751825	YHVICINZUIVWBL-QMMMGPOBSA-N	321.768	1.861	50	20	DDGD	
Cn1c(C(=O)NCCCSC#N)cc2ccccc2c1=O	854359939	CNNFWSIOXASTSQ-UHFFFAOYSA-N	301.371	1.873	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNC(=S)N[C@H](C)C1CC1	855099017	PWAFMYNEOGCOLC-DTWKUNHWSA-N	323.466	1.814	50	20	DDGD	
COc1ccc(CCC(=O)NN=C2CN3CCC2CC3)cc1	920379816	JOVZRUZBXDIBBM-UHFFFAOYSA-N	301.390	1.826	50	20	DDGD	
O=C(NCC1CC=CC1)NNC(=O)[C@H]1COc2ccccc2O1	858717931	JMPJWWGGLCZAJA-CQSZACIVSA-N	317.345	1.123	50	20	DDGD	
CCOCCOCCNC(=O)NNc1c(F)cc(F)cc1F	927538381	FCQCPHYUPZOSFZ-UHFFFAOYSA-N	321.299	1.783	50	20	DDGD	
O=C(NCc1c(F)c(F)cc(F)c1F)NNc1ncccn1	753043514	UQWMBOIILGFIRO-UHFFFAOYSA-N	315.230	1.859	50	20	DDGD	
CCN1CCC[C@@H]1CNC(=O)NC[C@]1(C)C[C@H]1Br	856870180	PZGPXBAIISUHRP-WZRBSPASSA-N	318.259	1.943	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](C)CN2CCN(C)CC2)cc1F	853693652	ICQURWFCCCWPGH-ZDUSSCGKSA-N	323.416	1.396	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)c1cccc(F)n1)CC(C)C	852384975	JOJALESDFMKACR-SNVBAGLBSA-N	312.345	1.226	50	20	DDGD	
C=CC(=O)N(C)CC(=O)NNC(=S)Nc1cccc(C)c1C	858124710	ZNZJXMNVZLYKEA-UHFFFAOYSA-N	320.418	1.265	50	20	DDGD	
CCC[C@@H](C)N(C)CC(=O)NNC(=O)c1cccc(C#N)c1	756488304	MSEMBKQBDQIOJI-GFCCVEGCSA-N	302.378	1.440	50	20	DDGD	
C/C=C(/C)C(=O)OCC(=O)NNC(=O)c1cc(C)c(CC)s1	750911188	ZSZPLWLKKHLSGM-UITAMQMPSA-N	324.402	1.889	50	20	DDGD	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccnnc1	756752065	DDGPOJXPGQBIME-UHFFFAOYSA-N	306.709	1.213	50	20	DDGD	
CCOC(=O)NC1CCC(=NNC(=O)c2ccnnc2)CC1	853360182	XJSBYORNNNZZBK-UHFFFAOYSA-N	305.338	1.251	50	20	DDGD	
CNC[C@@H](C)NC(=O)NNC(=O)Cc1cccc2ccccc12	851679501	BJPNKGYDDZEPIA-GFCCVEGCSA-N	314.389	1.321	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C=NNC(=O)[C@H]1CCCCO1	853353069	PGKXFJIKZDVEME-NWANDNLSSA-N	320.393	1.559	50	20	DDGD	
COC[C@H](OC)C(=O)NNC(=O)Nc1ccc(Cl)cc1	854377489	QIZVRVPFERLMIS-JTQLQIEISA-N	301.730	1.154	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cc2c(cc1O)OCO2)C1CC1	855097956	BVLJQNFSLHZJRT-ZETCQYMHSA-N	323.374	1.028	50	20	DDGD	
C[C@H]1CSCCN(C(=O)NNC(=O)c2cccc(F)n2)C1	852710413	PFZKYBUSTVUFIR-SECBINFHSA-N	312.370	1.260	50	20	DDGD	
Cc1cccnc1C(=O)NN=Cc1ccc(OCC(=O)O)cc1	752749543	HLUJHCNTIITFAJ-UHFFFAOYSA-N	313.313	1.617	50	20	DDGD	
CC(=O)c1cccc(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	923098192	REVYSIWEDPXOIG-BXUZGUMPSA-N	319.361	1.145	50	20	DDGD	
CNC(=S)N(C)NC(=O)CSCc1ccc(C#N)cc1	854925406	FQSWZPIPCQIMTK-UHFFFAOYSA-N	308.432	1.259	50	20	DDGD	
CCCCNC(=O)NN=C1C(=O)Nc2cc(O)c(Cl)cc21	853295031	MKWBPMXQJBGAAZ-UHFFFAOYSA-N	310.741	1.801	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H]2CCCC[C@@H]2CN)C[C@@H]1Br	857103458	JPSXFPJJOBXYAQ-HNCHTBHHSA-N	318.259	1.977	50	20	DDGD	
CNC(=S)N(C)NC(=O)C(C)(C)CNC(=O)OC(C)(C)C	854924035	CHFCTXLLZNSNBK-UHFFFAOYSA-N	318.443	1.005	50	20	DDGD	
Cc1cc(Cl)nc(C(=O)NNC(=O)Cn2nc(C)cc2C)c1	929310902	KAWPDIYSZASVCI-UHFFFAOYSA-N	321.768	1.318	50	20	DDGD	
C=CCOC[C@@H]1NC(=O)N(C[C@@]2(C)C[C@H]2Br)C1=O	857227793	UQDBNMCQCKHGCS-YGOYTEALSA-N	317.183	1.283	50	20	DDGD	
CCCn1nccc1C(=O)NNC(=O)c1ccc2c(c1)OCO2	854180497	NDQNANOMALWNQP-UHFFFAOYSA-N	316.317	1.097	50	20	DDGD	
CCn1nncc1CNC(=O)NNc1ncnc2ccsc12	858647503	QCOIACKWZHNHMJ-UHFFFAOYSA-N	318.366	1.129	50	20	DDGD	
Cc1nc(C=NNC(=O)Cc2nc3ccccc3n2C)[nH]c1C	853271870	FLOSMSKQRIWDLI-UHFFFAOYSA-N	310.361	1.606	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1ccc(N)cc1C	758099889	OJDUVFJPCOIBRF-ZDUSSCGKSA-N	318.421	1.386	50	20	DDGD	
COC[C@H](C)Oc1ccc(/C=C(/C#N)S(=O)(=O)N(C)C)cc1	853008521	SHGMIOAQKZUXBJ-ZENNRRHLSA-N	324.402	1.856	50	20	DDGD	
C[C@@H](C[C@H]1CCOC1)NC(=O)NNC(=O)c1ccccc1F	759765405	AXFDHTSKZMZUOY-WDEREUQCSA-N	309.341	1.585	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(Cl)cn1)n1nnnc1C(C)(C)C	856093034	OWONFBNCKNUZDT-MRVPVSSYSA-N	323.788	1.723	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N2CC[C@@H]3C[C@H]3C2)c(OC)c1	852070133	OSKIROPATBNAID-MNOVXSKESA-N	319.361	1.400	50	20	DDGD	
CC(C)N1CCC[C@@H]1C(=O)NNc1ccc(C(F)(F)F)nn1	935081163	XQSBIAVPJMJTIP-SECBINFHSA-N	317.315	1.811	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)c1ccc(Cl)cc1OC	864659742	PLKLEMBIWMZIPY-UHFFFAOYSA-N	314.769	1.925	50	20	DDGD	
C[C@@H]1Cc2cc(NC(=O)NNC(=O)[C@H]3CCO[C@@H]3C)ccc2O1	933141109	IZZUWGIHSPINFG-BREBYQMCSA-N	319.361	1.588	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)c2cc(C)[nH]n2)[C@H](C)C1	761266179	DYUVPONDCDYJLJ-MWLCHTKSSA-N	306.366	1.803	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(-c2cc[nH]n2)s1	761626247	VNJFVIJEYCYBHV-UHFFFAOYSA-N	323.378	1.119	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C1CCSc2ccc(F)cc21	863189019	WAMFRTSJFOJSJQ-UHFFFAOYSA-N	316.379	1.186	50	20	DDGD	
O=C(CCC1(O)CCC1)NNC(=O)NCCc1cccs1	865016859	XCAGKMHOMLAGNE-UHFFFAOYSA-N	311.407	1.316	50	20	DDGD	
CC(C)(C)c1ccccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1	862457842	RZIOYQQGMXLHSC-GFCCVEGCSA-N	303.362	1.024	50	20	DDGD	
Cc1cc(C)n(CCCC(=O)NNC(=O)Cc2ccncc2)n1	934042272	QXAWHSPNJBHFTJ-UHFFFAOYSA-N	315.377	1.065	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(-c2ccccc2)cc1	763441519	LFNBGDLHXJFNQK-UHFFFAOYSA-N	311.341	1.850	50	20	DDGD	
C[C@@H](CN1CCCCCC1)C(=O)NN=C1CCS(=O)CC1	761803471	BWVUVSXIOGWVGI-JRTLGTJJSA-N	313.467	1.513	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cn(C3CC3)nn2)c1F	861926709	AFILRAROYTZDOD-UHFFFAOYSA-N	319.296	1.296	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@]2(C)CCOC2)c1	1119057444	LKEYQNZGWLACGW-CQSZACIVSA-N	311.382	1.878	50	20	DDGD	
Cn1cc2c(n1)CCC[C@H]2C(=O)NNC(=S)NC(C)(C)C	1119594179	MSRQFFAOLRQHQY-SECBINFHSA-N	309.439	1.134	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cc(C(F)(F)F)ccn1	878345006	KAQYMNXGNTXIGN-UHFFFAOYSA-N	315.173	1.814	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@@H]1CC12CCC2	873258716	VORYGHDSSLMRIQ-CYBMUJFWSA-N	303.362	1.511	50	20	DDGD	
CCC[C@H](CNC(=O)NNc1nncc(N)c1Cl)OC	1117812640	POLDFCPNQKFIIE-SSDOTTSWSA-N	302.766	1.153	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=S)Nc1ccc(OC)nc1	874954748	BYGDPQFAXZQAJJ-JTQLQIEISA-N	312.395	1.223	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(C(F)F)o1)[C@H]1CCCCO1	872372982	VIYWXDXRVYQARS-MRVPVSSYSA-N	324.305	1.096	50	20	DDGD	
C[C@@H]1COCCCN1C(=O)NNC(=O)C(C)(C)c1ccccc1	773006062	XNVWNIDFXPXJMH-CYBMUJFWSA-N	319.405	1.816	50	20	DDGD	
CNC[C@H](C)CNC(=O)NNC(=O)CCCc1ccccc1	1117966607	KQJWZFAOUMDLNL-ZDUSSCGKSA-N	306.410	1.195	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(F)cc1	771880033	CSXUVLRSPDHVAR-SNVBAGLBSA-N	310.325	1.565	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCc1nnc(C)o1)c1ccccc1	874454722	KSUXSQYRMPSEQE-CYBMUJFWSA-N	316.361	1.652	50	20	DDGD	
O=C(NNC(=O)c1ccn(C(F)F)n1)c1ccc2c(c1)OCO2	775639502	XSFDTJHZUVIAMO-UHFFFAOYSA-N	324.243	1.082	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cnc(Br)c(C)c1	879149217	JUYYZUYVKMVSGD-UHFFFAOYSA-N	317.143	1.887	50	20	DDGD	
CN1CCc2cc(C(=O)NNC(=O)NC3CCCC3)ccc21	778609288	MKZCWBXAVKVLAG-UHFFFAOYSA-N	302.378	1.566	50	20	DDGD	
COC(=O)[C@@H](C)OCc1cn(/C=C\CBr)nn1	881295178	MXBNZEWZEUOFRB-QIUOEGRZSA-N	304.144	1.222	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@@H](C)c2cnn(C)c2)cc1O	882051066	MCHDJKWFZAGRME-LLVKDONJSA-N	316.361	1.389	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	779577010	BNXYYDOHAZOBCB-UHFFFAOYSA-N	322.405	1.692	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)c1cccc([C@@H]2CCOC2)c1	882057205	QNGOAEDWNBTCDQ-CYBMUJFWSA-N	312.329	1.055	50	20	DDGD	
C#CC1CCN(c2nnnn2C[C@@]2(C)C[C@H]2Br)CC1	1120324955	PUORPGJNQSHUGM-DGCLKSJQSA-N	324.226	1.696	50	20	DDGD	
O=C(NN=C1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(F)F	782234971	KBGPIBLJXQNGTH-QMMMGPOBSA-N	301.253	1.644	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)N[C@@H](C)c1nnnn1C	1123647234	BJPHCKJSZGCAGW-QMMMGPOBSA-N	309.761	1.559	50	20	DDGD	
COC(=O)[C@@H]1CSCCN1C[C@@H](CBr)C1CC1	887078910	GGXUTLRBASKAHW-MNOVXSKESA-N	322.268	1.998	50	20	DDGD	
COc1nn(C)cc1C(=O)NNC(=O)C(C)(C)c1ccccc1	883961105	TXEYKQMKOSFGTK-UHFFFAOYSA-N	316.361	1.168	50	20	DDGD	
O=C(Cn1cc(-c2cccc(Cl)c2)nn1)NNC(=O)C1CC1	881292339	JMYRMBJONLBQFZ-UHFFFAOYSA-N	319.752	1.156	50	20	DDGD	
CN(C)c1ccc(NC(=O)C(=O)NN(C)c2ccccc2)cc1	783429982	UGAVMKSOSOPSNH-UHFFFAOYSA-N	312.373	1.859	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCC(=NNC(=O)Cc2ccncc2)C1	788433294	MCPKDQOJOZJYDS-CYBMUJFWSA-N	309.391	1.084	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@H]1COC(C)(C)O1	783278684	WONPLNPBHWZQBS-NSHDSACASA-N	307.350	1.091	50	20	DDGD	
O=C(NNC(=O)C1(c2cccnc2)CCCC1)c1cccnn1	893681046	DWKRPIKVDPJDIU-UHFFFAOYSA-N	311.345	1.145	50	20	DDGD	
C[C@@H]1CCNC(=O)[C@@H]1NC(=O)[C@H](Br)C(C)(C)C	799764782	KDDBAROTIXCICX-HLTSFMKQSA-N	305.216	1.437	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCC(=NNC(=O)c2ccccc2F)C1	788406856	HEWANVHAJPHOQH-NSHDSACASA-N	312.366	1.899	50	20	DDGD	
Cc1[nH]nc(C(=O)NNC(=O)NCc2ccc(Cl)cc2)c1O	787433019	YCWQQPXCEITJQA-UHFFFAOYSA-N	323.740	1.221	50	20	DDGD	
COc1cccc(NNC(=O)c2c(C)nc(C(C)C)nc2O)n1	781023764	GRLPQIJWRRWDTG-UHFFFAOYSA-N	317.349	1.775	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1	894135122	RBQJWDJYJZXLSJ-UHFFFAOYSA-N	316.405	1.788	50	20	DDGD	
COC[C@@H](C)OC(=O)/C(C#N)=C\c1cccc(C(=O)N(C)C)c1	899339286	PVPXCSWQHPIUPU-CDCQXCROSA-N	316.357	1.873	50	20	DDGD	
COc1cc(C(=O)NNc2ncc(F)cn2)cc([N+](=O)[O-])c1C	790827357	IJQRYCRYBKRKIF-UHFFFAOYSA-N	321.268	1.598	50	20	DDGD	
Cc1cccnc1NNC(=O)NCc1ccc(N(C)C)nc1	791013093	AJVVHJQKFHLYCH-UHFFFAOYSA-N	300.366	1.677	50	20	DDGD	
C[C@H](Oc1cccc(C=NNC(=O)[C@H]2CCOC2)c1)C(=O)O	792654887	ICACFDFBZBUZFY-JQWIXIFHSA-N	306.318	1.025	50	20	DDGD	
CCCNC(=O)NN=C(C)Cn1cc(C(F)(F)F)ccc1=O	794499387	MCNADASNOSNFGV-UHFFFAOYSA-N	318.299	1.952	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	792764124	SHQRMCSAAJYIPB-SKDRFNHKSA-N	309.322	1.417	50	20	DDGD	
Cc1cc(F)cc(-n2cc(C(=O)NNc3cccnn3)nn2)c1	790018596	GHXKDRMDXLXOEI-UHFFFAOYSA-N	313.296	1.262	50	20	DDGD	
CC(C)n1ccc(CNC(=O)NNc2nc3ccccn3n2)n1	790380507	ZYYHKOHWWCKZHQ-UHFFFAOYSA-N	314.353	1.333	50	20	DDGD	
CCc1cc(NNC(=O)CC(C)(C)O)nc(-c2ccccn2)n1	792642067	NKYMJUVZTCCEAW-UHFFFAOYSA-N	315.377	1.705	50	20	DDGD	
Cc1ccc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])c(O)n1	791070469	LTVYVKVOJSSLCM-UHFFFAOYSA-N	306.253	1.900	50	20	DDGD	
O=C(NN=C1c2ccccc2CC12CCOCC2)[C@@H]1CCOC1	794940439	VBHBBRRABSJUTI-CQSZACIVSA-N	314.385	1.896	50	20	DDGD	
COC(=O)c1cc(S(=O)(=O)NCCSSC)cn1C	790348581	IEPRDMCNSOVTIH-UHFFFAOYSA-N	324.449	1.101	50	20	DDGD	
O=C(C[C@H]1CCCO1)NNc1cncc(Br)c1	1319631145	OUGNTYHVZBNJSV-SNVBAGLBSA-N	300.156	1.856	50	20	DDGD	
Cc1c(C(=O)NNc2ncc(F)cn2)cnn1-c1ccncc1	1319676644	ZQCFISPEZLALMB-UHFFFAOYSA-N	313.296	1.262	50	20	DDGD	
C[C@H](OC1CCCCC1)C(=O)NNC(=O)CNc1ccccc1	1318837303	DBUJXOQFIXQKPB-ZDUSSCGKSA-N	319.405	1.984	50	20	DDGD	
O=C(CCCC[C@H]1CCSS1)NCc1nc(=O)o[nH]1	1319823900	IUWDWIOMYCKMCM-QMMMGPOBSA-N	303.409	1.693	50	20	DDGD	
Cc1cnc(CCNS(=O)(=O)CBr)c(C)c1	689483917	BJQPNVNKBXHWAO-UHFFFAOYSA-N	307.213	1.513	50	20	DDGD	
CCOC(=O)C[C@@H]1CCCN1C(=O)/C(C#N)=C/c1cnn(C)c1	1325180638	FSVWWTWUGIEWOA-GUNGLEHYSA-N	316.361	1.271	50	20	DDGD	
O=S(=O)(c1c(Cl)cccc1Cl)N1CC[C@@H](B(O)O)C1	585060469	DQANCEIUVNXTBO-SSDOTTSWSA-N	323.994	1.231	50	20	DDGD	
COc1cccc(CCC(=O)NNc2ccn(C)n2)c1OC	1325745326	IQHSELIEPUEPSG-UHFFFAOYSA-N	304.350	1.513	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)NC1CCC2(CCOCC2)CC1	1328804977	XSNHOOMMDNJNKR-UHFFFAOYSA-N	321.381	1.093	50	20	DDGD	
Cc1nc(N2CCCCC2)sc1C=NNC(=O)c1cc[nH]n1	1333707960	OVYNUKAHDIVYNM-UHFFFAOYSA-N	318.406	1.929	50	20	DDGD	
NC(=O)C[C@H](NC(=O)c1cccc(CCl)c1)C1CCOCC1	1336388223	GMOUCQDFSHSNPA-AWEZNQCLSA-N	324.808	1.826	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@]1(F)CCOC1	1261216406	VIZNLPUNRZAHTG-ZDUSSCGKSA-N	316.716	1.238	50	20	DDGD	
CCO/C=C(\C#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)o1	1345518144	BSRATDGPBASKIK-MDZDMXLPSA-N	323.312	1.884	50	20	DDGD	
Cn1ccc(NNC(=O)c2ccc3c(c2)nc(O)n3C2CC2)n1	1347977936	KESBYYPGJGBAPA-UHFFFAOYSA-N	312.333	1.567	50	20	DDGD	
O=C(NNC(=O)[C@]1(F)CCOC1)Nc1ccc(Cl)cc1	1347495678	CSPSRHCSNUFHMP-LBPRGKRZSA-N	301.705	1.621	50	20	DDGD	
O=C(NC[C@H]1CCOC1)NNC(=O)Nc1cc(F)cc(F)c1	1357190816	BUOKQUCGBPOLER-MRVPVSSYSA-N	314.292	1.337	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN[C@H](C(=O)O)c1ccccc1Cl	1604833274	BUWQJPJYZYQLFG-SBMIAAHKSA-N	312.753	1.512	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CCSCC(=O)O)n1	1600705778	WEUPVEZEOPJTAY-UHFFFAOYSA-N	304.759	1.089	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNc1ccc(C)c(C(=O)O)c1	1605510208	WHEYDBWNAYILPP-LLVKDONJSA-N	308.334	1.726	50	20	DDGD	
Cn1c(C(=O)O)ccc1C(=O)NNc1cc(F)c(F)c(F)c1	1600904482	XQWRTGCWNAWUPV-UHFFFAOYSA-N	313.235	1.898	50	20	DDGD	
O=C(O)c1cncc(C(=O)NN=c2cc[nH]c3ccccc23)c1	1602535287	ALLVQZQIOVGIDF-UHFFFAOYSA-N	308.297	1.507	50	20	DDGD	
O=C(NNC(=O)C(=O)O)NC1CCC(c2ccccc2)CC1	1601552796	IOQMOQNSELAOHQ-UHFFFAOYSA-N	305.334	1.128	50	20	DDGD	
Cc1ccccc1[C@H](NNC(=O)c1ccc(C#N)cc1)C(=O)O	1610529569	VKQQLZHYTUIRDM-HNNXBMFYSA-N	309.325	1.927	50	20	DDGD	
COc1ccc(F)cc1CC(=O)NNc1ccc(C(=O)O)cn1	1610338588	IABOPIHQVAUHPY-UHFFFAOYSA-N	319.292	1.613	50	20	DDGD	
CC(CCCO)=NNC(=O)[C@@H]1CCCO[C@@H]1c1nccn1C	1549311004	PKJYFRCJNBQYQE-OLZOCXBDSA-N	308.382	1.152	50	20	DDGD	
CCn1cc([C@H]2OCC[C@H]2C=NNC(=O)c2ccc[nH]2)cn1	1552453476	PLTJNEUXHPBUFI-FZMZJTMJSA-N	301.350	1.725	50	20	DDGD	
NCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](F)Cl)CC1	1826810303	QGQBHMXLPZHOCK-DGCLKSJQSA-N	319.808	1.099	50	20	DDGD	
CCCN(NC(=O)[C@H]1CCO[C@H]1CN)C(=O)OC(C)(C)C	1577531196	XJWQHSSOZRDWDZ-QWRGUYRKSA-N	301.387	1.029	50	20	DDGD	
O=C(O)CC[C@@H]1C[C@H](C(=O)NNc2cccc([N+](=O)[O-])c2)CO1	1574685518	DRIDTLMNPBOGFA-JOYOIKCWSA-N	323.305	1.308	50	20	DDGD	
O=C(NNc1ccccn1)c1ccc(OCCc2cnn[nH]2)cc1	1578015542	RDWAQZNTVLKGRC-UHFFFAOYSA-N	324.344	1.578	50	20	DDGD	
NCC[C@@H]1CCN(S(=O)(=O)c2ccc(CCl)cc2)C1	1580288613	QWUIQILIHUKAOD-GFCCVEGCSA-N	302.827	1.785	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)C2=COCC2)C1	1846708664	CJXOOXILPBHXHB-SNVBAGLBSA-N	302.733	1.028	50	20	DDGD	
CC(C)C(=O)N1CCCC12CN(C(=O)CCBr)C2	1842613566	QLTKAZYEXFLOOQ-UHFFFAOYSA-N	317.227	1.631	50	20	DDGD	
CCN(CCNC(=O)NNc1ccc(CC(=O)O)cc1)C1CC1	1596334592	NPDSQZWPDXAZGL-UHFFFAOYSA-N	320.393	1.424	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc(C(=O)O)n[nH]1	1594331852	BMAULHVLHHZVCO-UHFFFAOYSA-N	311.301	1.721	50	20	DDGD	
Cc1cc(F)cc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)c1	1591989739	APWDKPAQQIZCJG-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
C[C@@H](Sc1ccccc1C(=O)NNc1ncccn1)C(=O)O	1593671892	AWALPKDAXSFLJA-SECBINFHSA-N	318.358	1.799	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)[C@H](C)C(=O)O	1594273480	OIRAHFKVQZKUDD-ZETCQYMHSA-N	301.140	1.921	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1ccc(C(=O)O)nc1	1776120290	ARIDMCREJJIUOR-WQLSENKSSA-N	303.318	1.230	50	20	DDGD	
COC(=O)NNC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F	158772443	IMOJNBMXKACENA-SSDOTTSWSA-N	306.240	1.860	50	20	DDGD	
CC(C)Oc1cccc(C(=O)NNC(=O)Cc2cccnc2)n1	165810118	HBKCVKNMLXPJQX-UHFFFAOYSA-N	314.345	1.268	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccc(C#N)cc2)ccc1F	151109821	AQQUSWVPQJPDHA-UHFFFAOYSA-N	313.288	1.781	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2Cl)[nH]n1	153084247	BHCIBDYIZHCROF-SECBINFHSA-N	322.752	1.600	50	20	DDGD	
CCOc1cc(C=NNC(N)=O)cc(Br)c1O	916247944	XYYQKUKFIICKRW-UHFFFAOYSA-N	302.128	1.556	50	20	DDGD	
CCOC(=O)[C@H]1CCCCN1S(=O)(=O)CBr	127116215	SUYFKGRQWOLXBA-MRVPVSSYSA-N	314.201	1.086	50	20	DDGD	
Cc1cccc(C)c1OCC(=O)NNC(=O)NC1CCCC1	10036157	ULUNPWBXEKZWOP-UHFFFAOYSA-N	305.378	1.955	50	20	DDGD	
N#CC(C#N)=CNc1ccc(S(=O)(=O)N2CCOCC2)cc1	10334802	UHCLCRNBEKWVPL-UHFFFAOYSA-N	318.358	1.050	50	20	DDGD	
O=C(Cc1ccccc1)NCC(=O)NNc1c(F)cccc1F	118512946	XHCDVMCHPAFJQW-UHFFFAOYSA-N	319.311	1.767	50	20	DDGD	
CCc1ncsc1NC(=O)C(=O)NNc1cccc(C#N)c1	119484930	VZNNHPCYQBXLOH-UHFFFAOYSA-N	315.358	1.659	50	20	DDGD	
O=C(NNc1cccnn1)c1cc(-c2ccc3c(c2)CCO3)no1	178468926	HVXPSCUNYXMHDY-UHFFFAOYSA-N	323.312	1.823	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)cn1	114536757	WOLDYSXMPSWNKN-UHFFFAOYSA-N	324.344	1.368	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)C1(Cc2ccccc2)CC1	176301339	YNMZSSUVLMXJOT-UHFFFAOYSA-N	308.345	1.819	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)c2ccc(C#N)cc2)c(C(C)C)n1	172135779	QSXQHIDVHBJFIQ-UHFFFAOYSA-N	323.356	1.855	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(-c3nc(C)no3)cc2)ncn1	172278281	JFUXVXIPTBQVDP-UHFFFAOYSA-N	310.317	1.900	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccccc2OC)c(F)c1	67436979	ITPJBFDWAIXTMT-UHFFFAOYSA-N	318.304	1.918	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1c(Cl)cccc1Cl	170835841	UOPDXEPAYPWOIT-UHFFFAOYSA-N	320.176	1.974	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1cccc([N+](=O)[O-])c1	170700211	VEMSNSRXDUAEIX-UHFFFAOYSA-N	303.278	1.400	50	20	DDGD	
C[C@@H](Oc1ccccc1)C(=O)NNC(=S)N[C@H](C)C1CC1	175553633	AIUXCWCHUPSEEM-GHMZBOCLSA-N	307.419	1.748	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCC(=O)OCC1CC1	188359889	FKJRKMVILMJWII-NTUHNPAUSA-N	300.314	1.369	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2cc(F)ccc2F)n1	182744576	YYAYUELMKHCSET-UHFFFAOYSA-N	323.303	1.631	50	20	DDGD	
CC(C)Oc1cccc(C(=O)NNC(=O)NCc2ccco2)n1	121987753	JDEPKWYCJXUNAF-UHFFFAOYSA-N	318.333	1.606	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NOCc1cccnc1	127129579	TZLBLXXQIXNMBP-UHFFFAOYSA-N	314.345	1.476	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)NC(=O)CC(C)(C)C)nc(C)n1	188285159	DFCBTOFGOJAGHX-JTQLQIEISA-N	307.398	1.477	50	20	DDGD	
COc1ncccc1NC(=O)C(=O)NNc1cccc(F)c1	120926835	DZXHGPXBFGIBOH-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2ccc(Cl)nn2)CN1C1CC1	127664477	YXTANMJIUMWPSU-RKDXNWHRSA-N	310.789	1.381	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C2C(C)(C)C2(C)C)c1O	74824318	FVUFUMMNLJPHSX-UHFFFAOYSA-N	306.362	1.844	50	20	DDGD	
CCS(=O)(=O)N1CCN(/C(=C/C#N)c2ccc(F)cc2)CC1	78687915	ZOMKHBCPUKULDX-VIZOYTHASA-N	323.393	1.657	50	20	DDGD	
CC(C)C[C@@H]1CCN(C(=O)NNC(=O)Cc2cccnc2)C1	73148525	ZEKKPKGTBZCELU-AWEZNQCLSA-N	304.394	1.733	50	20	DDGD	
CN(NC(=O)c1csc(-c2c(F)cccc2F)n1)C(N)=O	182645455	DDOBLHIPMRQDSC-UHFFFAOYSA-N	312.301	1.744	50	20	DDGD	
O=S(=O)(CCCCl)N1CCN(Cc2ccco2)CC1	37842508	LTUDSOBTGMHZCP-UHFFFAOYSA-N	306.815	1.356	50	20	DDGD	
CS[C@@H](C)CC(=O)NNC(=O)Cc1cn2ccccc2n1	126337553	XQSVXYCLIMIBQT-JTQLQIEISA-N	306.391	1.166	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnn(-c2ccccc2)c1C(C)C	139190528	QQPRFNUNQHFWLM-UHFFFAOYSA-N	315.377	1.960	50	20	DDGD	
CCOc1ccc(C#N)cc1NC(=O)NNC(=O)c1ccc[nH]1	184600451	JBRATAOMZZKXOB-UHFFFAOYSA-N	313.317	1.752	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNC(=O)C(C)(C)C)c1cccc(F)c1	79222384	MCMJPTQEBBDJNS-CYBMUJFWSA-N	324.400	1.805	50	20	DDGD	
O=C(NC[C@H]1CCOC1)NNC(=O)c1ccc2ccccc2n1	47068747	BRXDHBPHZSXNTM-LLVKDONJSA-N	314.345	1.215	50	20	DDGD	
Cc1ccnc2nc(C(=O)NNc3ccc(Cl)c(F)c3)nn12	130477511	VAPQBOMIGQORDL-UHFFFAOYSA-N	320.715	1.982	50	20	DDGD	
COCc1cc(C(=O)NNc2ncnc3ccsc23)no1	132343342	PSCNGJDFEYROHU-UHFFFAOYSA-N	305.319	1.583	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccncc2Br)n1	130005058	FEUZBFDUPQLMIX-UHFFFAOYSA-N	324.138	1.400	50	20	DDGD	
C[C@H](Oc1cccc2ccccc12)C(=O)NNC(=O)CN(C)C	193217936	JQCHJWZSTXSNIC-LBPRGKRZSA-N	315.373	1.316	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@@H](c2ccco2)N(C)C)n1	43138376	DIMCRULWJMYQHV-LBPRGKRZSA-N	318.381	1.615	50	20	DDGD	
CCOC(=O)NNC(=O)c1nc(C)n(-c2ccc(F)cc2)n1	45574395	HRTYVGTUYFWOBT-UHFFFAOYSA-N	307.285	1.106	50	20	DDGD	
Cc1nc(Cl)ccc1NC(=O)NNC(=O)Cc1ccncc1	194685063	WBTDDRWQAVOJGT-UHFFFAOYSA-N	319.752	1.834	50	20	DDGD	
Cc1noc(CCC(=O)NNC(=O)c2cccc(Cl)c2)n1	192805913	CFDLUSXNJSAZNI-UHFFFAOYSA-N	308.725	1.425	50	20	DDGD	
Cc1noc(C(C)C)c1C(=O)NNC(=O)Cc1ccncc1	81026919	ZLQKUCUJQGYDJK-UHFFFAOYSA-N	302.334	1.505	50	20	DDGD	
CCCc1ccc(C(=O)CCC(=O)NNC(=O)N(C)C)cc1	194932781	ITFIGRVFVBLSKD-UHFFFAOYSA-N	305.378	1.904	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)CC1CCCC1	195212740	LCGGCKWIXFZWGZ-ZBEGNZNMSA-N	318.373	1.943	50	20	DDGD	
CCCCCCNC(=O)NNC(=O)COc1ccc(OC)cc1	42920347	YBUNUMVBHACGFJ-UHFFFAOYSA-N	323.393	1.985	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cccc2c3c([nH]c12)CCCC3	194931539	IHTDFAZWPAYXAE-UHFFFAOYSA-N	300.362	1.963	50	20	DDGD	
COc1cc(C(=O)NNc2nc(C)cc(C)n2)ccc1[N+](=O)[O-]	195463798	GCRKNHVPFICKRD-UHFFFAOYSA-N	317.305	1.767	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(F)ccc1C	94120989	JNHAUWMLJWYCLQ-UHFFFAOYSA-N	301.412	1.606	50	20	DDGD	
CN(C)CCn1ccc(NC(=O)NNc2ncccc2Cl)n1	92765561	NGUDCCPCVJEMBP-UHFFFAOYSA-N	323.788	1.642	50	20	DDGD	
C[C@@H]1Cc2cc(S(=O)(=O)NNC(=O)C3CCC3)ccc2O1	264691536	CGBVGHVLXWQSSS-SECBINFHSA-N	310.375	1.120	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccnc(OCC(F)(F)F)c1	266114332	WUUPAEAADRXJDL-UHFFFAOYSA-N	319.283	1.830	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)COc2ccc(C#N)cc2)O1	268271587	HIFJDAQQUXUIGM-JSGCOSHPSA-N	317.345	1.042	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)CC[C@@H]1CCOC1	267564033	HETVCZKOHKKOIQ-GFCCVEGCSA-N	321.377	1.071	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccc(OC)c([N+](=O)[O-])c1	264345142	KABNERAGFZVPHR-XFFZJAGNSA-N	306.274	1.700	50	20	DDGD	
CN1C[C@H](NC(=O)NNc2c(F)cccc2Cl)CC1=O	274505399	JFDPPLLINVSKPO-SSDOTTSWSA-N	300.721	1.336	50	20	DDGD	
CC[C@@H]1C[C@H](CC(=O)NNc2ncnc3nc[nH]c23)CCO1	272809636	CDWBOTBKZPHVFF-NXEZZACHSA-N	304.354	1.391	50	20	DDGD	
COc1cccc(NNC(=O)[C@](C)(O)Cc2ccccc2)n1	273042669	VONNSHNDAATISQ-MRXNPFEDSA-N	301.346	1.527	50	20	DDGD	
Cn1cc([C@H](O)CNC(=O)[C@@H](Br)C(C)(C)C)cn1	274366175	JRCUBANMOPGESP-NXEZZACHSA-N	318.215	1.379	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)[C@@H]1C[C@@]12CCOC2	364849673	GASDYBJVDGMNIK-WRWORJQWSA-N	302.256	1.365	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1cccc(C(F)(F)F)c1	271249868	DOIUMYGYDOTIOV-UHFFFAOYSA-N	303.284	1.940	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(Br)c(F)c1	271260145	ILZLFHMHTVNLSW-UHFFFAOYSA-N	318.146	1.894	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1n[nH]c2ccccc12	276546390	JSVSKGDYMPVDAY-UHFFFAOYSA-N	320.349	1.113	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)COc1ccccc1OC	280917110	GYMFJIUWMYOSNW-HNNXBMFYSA-N	310.350	1.037	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@]1(F)CCN(C(=O)OC(C)(C)C)C1	376017682	RSXBEYVQTBDWMU-CYBMUJFWSA-N	319.333	1.065	50	20	DDGD	
CC1(C)[C@H](NC(=O)NNC(=O)c2ccc[nH]2)[C@@H]2CCCO[C@H]21	371099870	NIAOSYBPUQIYNF-MVWJERBFSA-N	306.366	1.162	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cnc2c(C)cc(C)cc2c1O	289507804	ZVHMNGBVPHMMQC-UHFFFAOYSA-N	303.318	1.900	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cccc(N(C)C)c1)C(F)(F)F	288644481	PQCOPCKOYYAXNW-QMMMGPOBSA-N	318.299	1.647	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H](O)C(C)C)cc1	285221604	SJFCJLOQHGYGIG-BXUZGUMPSA-N	324.377	1.017	50	20	DDGD	
COc1cccc(NNC(=O)C2CCN(CC(F)F)CC2)n1	288231223	BJOINNAMEBSAGI-UHFFFAOYSA-N	314.336	1.510	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H]1CCn2cncc2C1	805378425	QUCSXEIETNHWBX-LLVKDONJSA-N	315.333	1.805	50	20	DDGD	
O=C(NNc1ncccc1F)[C@H]1CC(c2cccc(F)c2)=NO1	804211235	IMRGUCRZAHKYOX-CYBMUJFWSA-N	318.283	1.996	50	20	DDGD	
N#CCCCCCC(=O)NNC(=O)COCc1ccccc1	805185314	ZDFKLTHZOSPDBB-UHFFFAOYSA-N	303.362	1.825	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)O1	293915179	APORXNQWFWNGAB-VVHPZPEWSA-N	324.327	1.783	50	20	DDGD	
O=C1C[C@H](C(=O)NNC(=O)[C@H]2CCCCO2)c2ccccc21	295326623	GYFKZYKAGUKAAG-GXTWGEPZSA-N	302.330	1.073	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1occ2c1CCOC2	803179720	SFGISVQAVZQFOW-UHFFFAOYSA-N	309.391	1.261	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cnccc2C#N)cc1	805168746	WDWBQAWFKLBRKQ-UHFFFAOYSA-N	324.340	1.356	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C1CCC1)[C@@H]1OCCc2sccc21	292132014	LRJJSKQYKRVUOJ-RNCFNFMXSA-N	323.418	1.881	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCCn1ccnc1C	299024426	XNBBLSFHJPEQIG-UHFFFAOYSA-N	315.377	1.534	50	20	DDGD	
CN1CCC[C@@H]1CNC(=O)NNc1cc(C(F)(F)F)ccn1	296303056	FCRRTAYHCWHNDW-SNVBAGLBSA-N	317.315	1.821	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802100685	YDEDSJYFSTWLRR-UHFFFAOYSA-N	321.333	1.551	50	20	DDGD	
O=C(COCc1ccccn1)NNc1cccc(F)c1[N+](=O)[O-]	805203501	IVVDGZSVAGKJNU-UHFFFAOYSA-N	320.280	1.789	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1C(=O)c1ccccc1)C1CCC1	294529236	HFIYQKQOCLTMSP-CQSZACIVSA-N	315.373	1.239	50	20	DDGD	
O=C(NN=C1CCC[C@H]2C[C@@H]12)C1CCN(c2ncccn2)CC1	800813362	VDTCACPJULTKPS-UONOGXRCSA-N	313.405	1.985	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1	802055871	VGJHIGRKIXLKAL-UHFFFAOYSA-N	319.277	1.398	50	20	DDGD	
C[C@@H]1CSC[C@H]1NC(=O)NNC(=O)c1cccc(N(C)C)c1	805788175	AWIGIWYZVAHVAU-ZWNOBZJWSA-N	322.434	1.448	50	20	DDGD	
CCN([C@@H]1CCOC(C)(C)C1)S(=O)(=O)CBr	809860423	OELHZBZCKIMOOU-SECBINFHSA-N	314.245	1.948	50	20	DDGD	
N#Cc1ccc(NCC(=O)NNc2nccnc2C2CCC2)nc1	805463648	GIMCOSSOHTVROI-UHFFFAOYSA-N	323.360	1.566	50	20	DDGD	
CCC[C@H](CNC(=O)NNC(=O)c1ccccc1OC)OC	296744056	VOBYPWVLHGQGSG-LLVKDONJSA-N	309.366	1.454	50	20	DDGD	
CC[S@](=O)c1ccccc1C(=O)NNc1nc(C)cc(C)n1	298132517	DKXVEKWZTRMWFP-QFIPXVFZSA-N	318.402	1.978	50	20	DDGD	
Cc1nn(C(C)C)c(C)c1CC(=O)NNC(=O)c1cccnc1	292044316	RSBUFEJIUNPXSU-UHFFFAOYSA-N	315.377	1.480	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(Cl)ccc1F	295694633	ZNKUAKNKPRYIJX-NSHDSACASA-N	300.717	1.809	50	20	DDGD	
COc1ccc(NNC(=O)Nc2cccc3c2CNC3=O)nc1	806755918	RNLFXZXVXTYYIR-UHFFFAOYSA-N	313.317	1.482	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=Cc1ccc(N)nc1	807950493	TXVUVCJPOYWOKW-UHFFFAOYSA-N	308.345	1.472	50	20	DDGD	
C[C@@H]1CSC[C@H]1NC(=O)NNc1ccc(-n2cccn2)nn1	807476012	VOAMKGCPYNSQBT-NXEZZACHSA-N	319.394	1.040	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(-c2csc(NNC(N)=O)n2)c1C	800721567	OYFQTEPUJANCBA-UHFFFAOYSA-N	323.378	1.927	50	20	DDGD	
Cc1nn2cccnc2c1C(=O)NNc1cccc(Cl)n1	817007992	YYYHRUUNDWKFDO-UHFFFAOYSA-N	302.725	1.843	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ncncc2F)c(C)c1	815766333	WIMARXLYMPRUEU-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1c[nH]c(C(F)(F)F)c1	816467489	AKNXZOUYUUQTLA-UHFFFAOYSA-N	310.239	1.833	50	20	DDGD	
COc1cc(C)c(C(C)=NNC(=O)Cc2cc[nH]n2)cc1OC	814954567	IYHOYSGUCAMRBZ-UHFFFAOYSA-N	316.361	1.818	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccc(-c2cc[nH]n2)s1	817083502	LGRDMJSATIQXBH-UHFFFAOYSA-N	304.310	1.824	50	20	DDGD	
COCCC(COC)=NNC(=O)[C@@H](C)Oc1ccc(F)cc1	812224730	ITEZESNCUYXCNC-LLVKDONJSA-N	312.341	1.748	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H]1COCCO1	816486448	DZAVERQSRIKISA-QMMMGPOBSA-N	300.746	1.112	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)Cc1ccccc1F	726075426	FCESTOVPWUHSBR-UHFFFAOYSA-N	313.398	1.242	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=S)NC2CCOCC2)cc1	727780499	NKUABZOVLRRAIL-UHFFFAOYSA-N	323.418	1.048	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1	810093936	KNMGKPBKQVCIBY-JSGCOSHPSA-N	323.437	1.213	50	20	DDGD	
Cn1cc(C(=O)NCC(Cl)Cl)c(C2CCOCC2)n1	818904826	VAXRMBNPPNFQKV-UHFFFAOYSA-N	306.193	1.848	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=S)NCC1CCC1	727867191	VCCSWFHWQZEMFV-UHFFFAOYSA-N	307.419	1.499	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1Cl)C(=O)NN(C)[C@H](C)CO	823959675	NRHLUGDWQZAQNJ-BDAKNGLRSA-N	304.749	1.590	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H](C)C[C@H]2C)c1	823509031	DGMOHKQPHKBRBM-ZIAGYGMSSA-N	303.406	1.876	50	20	DDGD	
Cc1cc(OC(=O)c2c[nH]c(-c3nn[nH]n3)c2)ccc1[N+](=O)[O-]	826272111	UWERRMAWFIWCBW-UHFFFAOYSA-N	314.261	1.631	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCc1nc2cccnc2[nH]1	490662716	DFZORBQDYGZJCK-WQLSENKSSA-N	319.324	1.887	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)c1nnc(-c2ccccc2)o1	491382981	KCGCEXGIHFGPHU-UHFFFAOYSA-N	320.312	1.330	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)C[C@@H]1CC[C@H]2C[C@@H]12	825969218	JWAAITWMZZZNPC-SOUVJXGZSA-N	302.374	1.787	50	20	DDGD	
CC(C)C(=O)NNC(=O)NC[C@H](C)CNC(=O)OC(C)(C)C	493909247	VNTVZIYQNZICKJ-JTQLQIEISA-N	316.402	1.134	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@H]1CCC[C@@H](C)[C@H]1C	826677253	KMSKEMKSTQABMF-RKQHYHRCSA-N	311.426	1.814	50	20	DDGD	
CC(C)c1nccn1CC(=O)NNC(=S)N[C@@H](C)C1CC1	824327746	KUMJVBGXQRUYKI-JTQLQIEISA-N	309.439	1.300	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@](C)(O)CSc1cccc(F)c1	823921686	AITWAJCPJKWAEJ-QMTHXVAHSA-N	316.398	1.013	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)n1cc(CN(C(C)C)C(C)C)nn1	900541701	GSQDWMXDTTXFNT-GFCCVEGCSA-N	324.429	1.015	50	20	DDGD	
OB(O)c1ccccc1CNCc1ccccc1OCC1CC1	585029328	QQWBTXPVURDHBD-UHFFFAOYSA-N	311.190	1.445	50	20	DDGD	
CO[C@H]1CCC[C@@H](C(=O)NNC(=O)CNc2ccccc2)C1	823975248	YYBTXEZQVVOJRW-OCCSQVGLSA-N	305.378	1.451	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1c(F)ccc2ccncc12	823805151	YWGOJQKMXAAZCM-UHFFFAOYSA-N	302.309	1.728	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1	823934219	DOOBEQCLMCYFQN-JEZHCXPESA-N	302.296	1.551	50	20	DDGD	
Cc1ccccc1C1(C(=O)NN(C)[C@@H](C)CO)CCOCC1	823965176	JZVFCBRQEGFPNG-AWEZNQCLSA-N	306.406	1.387	50	20	DDGD	
CCOC1(C)CCN(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CC1	827268993	UQGMVQNUEVYGSR-NWDGAFQWSA-N	313.398	1.043	50	20	DDGD	
CS[C@@H](C)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	826225189	VZZSWXZDGAWYTF-YFKPBYRVSA-N	313.774	1.110	50	20	DDGD	
Cn1cc(-c2cccc(NC(=O)NNC(=O)C3CCC3)c2)nn1	825698452	OVZFXGMQGYQPEH-UHFFFAOYSA-N	314.349	1.435	50	20	DDGD	
Cc1ccc([C@@](O)(CC(=O)NN(C)[C@H](C)CO)C(F)(F)F)o1	823946681	MTVRKIDGFLJKKH-PELKAZGASA-N	324.299	1.072	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1CCS[C@@H]2CCCC[C@@H]21	584960170	IAFNCFKHRPWRQK-UONOGXRCSA-N	323.198	1.006	50	20	DDGD	
COCCCNC(=O)NN=Cc1cnc(CC(F)(F)F)s1	901175537	AFGGUIZWIUNJNA-UHFFFAOYSA-N	324.328	1.918	50	20	DDGD	
CN(Cc1ccc(NCc2ccc(B(O)O)o2)cc1)C1CC1	585046785	BTADIASMZKENJZ-UHFFFAOYSA-N	300.167	1.166	50	20	DDGD	
O=C(CN1CC=C(c2ccc(F)cc2)CC1)NNC(=O)C1CC1	733193384	NJSHTHDZORGYBZ-UHFFFAOYSA-N	317.364	1.472	50	20	DDGD	
Cn1cnnc1CCCNC(=O)[C@@]1(C)C[C@@H]1Br	908328963	XORAEQZUFSTZHR-KWQFWETISA-N	301.188	1.037	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	837405905	DCFYSYOUVXLSNN-WCQGTBRESA-N	302.330	1.071	50	20	DDGD	
COC(=O)NN=C(C)C[C@@H]1COCCN1C(=O)OC(C)(C)C	495371826	KQLJTHIENGZEHC-LLVKDONJSA-N	315.370	1.744	50	20	DDGD	
CCOC(=O)[C@H](F)C1CN(C(=O)[C@@]2(C)C[C@@H]2Br)C1	908404575	VSJRPMIIBDGANT-SBMIAAHKSA-N	322.174	1.520	50	20	DDGD	
COCC1CCC(=NNC(=O)CNC(=O)c2cccs2)CC1	834951673	CTVURKDWBBRNGO-UHFFFAOYSA-N	323.418	1.787	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNC(=O)Nc1ccccc1C	836603912	ANFMQEDVTIQPEN-OLZOCXBDSA-N	304.350	1.674	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1C#N)[C@H]1C[C@H]2CC[C@H]1O2	834928640	ZAZHLRYCKKBRST-IIAWOOMASA-N	313.357	1.997	50	20	DDGD	
CCOCC(=O)NN=C(C)c1ccc(N2CCOC2=O)cc1	731154360	IRIBUIZVXLSXNZ-UHFFFAOYSA-N	305.334	1.520	50	20	DDGD	
N#CC1=CCN(C(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)CC1	831487444	ASHRROIKADGSFP-CABCVRRESA-N	301.390	1.850	50	20	DDGD	
CC(C)(CO)[C@H](CNS(=O)(=O)CCl)c1ccccc1	830923957	MMSHOQDVHMZULC-GFCCVEGCSA-N	305.827	1.904	50	20	DDGD	
O=C(CCc1ccccc1O)NN=Cc1ccoc1C(=O)O	739259746	XTFACWJQGIFAPU-UHFFFAOYSA-N	302.286	1.766	50	20	DDGD	
CC[C@H](OC1CCCCC1)C(=O)NNC(=O)[C@@H]1CCCCO1	833246594	NNQYKRDCSVMKID-KBPBESRZSA-N	312.410	1.831	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNc2oc(C(C)C)nc2C#N)CC1=O	839603505	DILJARKVTZOIDL-JTQLQIEISA-N	319.365	1.371	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cc(F)cc([N+](=O)[O-])c1	731500980	LSVANAAKMMGAQA-UHFFFAOYSA-N	324.190	1.240	50	20	DDGD	
COc1cccc(NNC(=O)[C@H](CCC(C)C)NC(C)=O)n1	831882267	XDVVFXVKJVTLGW-LBPRGKRZSA-N	308.382	1.474	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccccc2F)[C@H]2CCCC[C@H]2N1	830767218	XKFWJPNIZZVUDT-NTZNESFSSA-N	305.353	1.964	50	20	DDGD	
Cc1cc(C)cc(C[C@H](C)NC(=O)c2cccc(B(O)O)c2)c1	584953446	VDZSMWAKKJSGSH-AWEZNQCLSA-N	311.190	1.344	50	20	DDGD	
C[C@@H](C[C@@H](C)N)NC(=O)NNC(=O)Cc1c[nH]c2ccccc12	831196450	CTFPDRPGDJCHQC-MNOVXSKESA-N	317.393	1.167	50	20	DDGD	
C[C@@H](N)C[C@@H](C)NC(=O)NNc1cccc(Br)n1	831223655	FOPOWHLSMMMWJP-HTQZYQBOSA-N	316.203	1.596	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cccc([C@H]2CCOC2)c1	833243651	VTKSZACMNXICOZ-LSDHHAIUSA-N	318.373	1.521	50	20	DDGD	
NC(=O)C(=O)NN=Cc1c(-c2ccccc2)[nH]c2ccccc12	916581332	ZFXLGRQMIWSDDT-UHFFFAOYSA-N	306.325	1.770	50	20	DDGD	
C[C@H]1C[C@H](CC(=O)NNC(=O)CN2CCCC2=O)CC(C)(C)C1	913731116	UTDCZNLIFORQHI-QWHCGFSZSA-N	323.437	1.609	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CCCCO2)c2ccccc21	833235315	AYZNBAIZYPUHGL-ZFWWWQNUSA-N	316.357	1.463	50	20	DDGD	
O=C(COC1CCOCC1)NNC(=O)c1cc2c(s1)CCC2	735269864	HRRMBHUKDLGWKE-UHFFFAOYSA-N	324.402	1.193	50	20	DDGD	
COc1cc(OC)cc([C@H](NNC(=O)CC(C)C)C(=O)O)c1	832057341	OJKQOITVYBOIDN-AWEZNQCLSA-N	310.350	1.496	50	20	DDGD	
C=C[C@@H]1OCCC[C@H]1NC(=O)NNC(=O)c1ccc(C#N)cc1	836265498	NNWWBDCZVFRRIB-KGLIPLIRSA-N	314.345	1.236	50	20	DDGD	
Cc1ccccc1NCCC(=O)NNC(=O)Cc1ccncc1	747428213	KHQHIIFUFSNVKA-UHFFFAOYSA-N	312.373	1.582	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCc2ccn(C)n2)cc1	838554951	HGVBOEHIIVUYAU-UHFFFAOYSA-N	303.366	1.688	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC[C@@H](c2ccccc2F)C1	744398213	MFMSDTJVJUSHTQ-GFCCVEGCSA-N	321.396	1.809	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2ccc(Cl)nc2)cnn1C	917252238	HYTJQPNETWAHPV-UHFFFAOYSA-N	307.741	1.106	50	20	DDGD	
Cc1ccccc1C(C)(C)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843648350	QBXLEWQGFFPSDZ-OLZOCXBDSA-N	304.390	1.845	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2ncncc2C1)c1ccccc1F	843516806	DSHZBGUKTZMOIX-JTQLQIEISA-N	314.320	1.182	50	20	DDGD	
CCc1cc(CNC(=O)NNC(=O)Cc2ccccc2F)on1	741274245	HJEABJKNPXNGFI-UHFFFAOYSA-N	320.324	1.449	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(-c2ccccc2)nc1O	910169306	AMSCIZDKLPMJDN-NSHDSACASA-N	301.346	1.412	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ncoc1-c1ccccc1	843652947	VLDIHLGSOPEBHG-CMPLNLGQSA-N	315.329	1.528	50	20	DDGD	
C[C@H](Sc1ccccn1)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843980578	UXLZEZGQTDASDR-GARJFASQSA-N	309.391	1.135	50	20	DDGD	
COCC1(CC(=O)NNC(=O)NCCc2cccs2)CC1	843774689	GYJLMNLCXKMEIF-UHFFFAOYSA-N	311.407	1.438	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cnc2ccccc2c1C	748702218	HEASPKZKAXCLEI-UHFFFAOYSA-N	316.361	1.524	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)N[C@@H]1CCNC1	841938367	CHCGKRVMXDDSTB-OAHLLOKOSA-N	312.373	1.075	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CN2CCC[C@@H]2C)cc1C	746096212	AEYDONIIQGQCOS-NSHDSACASA-N	309.435	1.864	50	20	DDGD	
CC[C@@H](N)CNC(=O)NNC(=O)c1ccc(Cl)cc1OC	842009228	YMKNJLNIFGCRDS-SECBINFHSA-N	314.773	1.030	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1cccc2c1OCCC2	844648427	ZVVUFGCADKOORW-UHFFFAOYSA-N	312.391	1.367	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)N[C@@H](C)CCN)c1C	841966473	CZVSPDHSUPYCPM-AAEUAGOBSA-N	322.409	1.138	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)CN2CCCC2=O)C12CCCC2	743431055	PLOKYBPSMZXTQG-ZDUSSCGKSA-N	307.394	1.450	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)COc2cc(C)on2)cc1	846370964	ULLPMKCEPOEOCW-UHFFFAOYSA-N	319.317	1.221	50	20	DDGD	
Cc1cncc(C(=O)OCC(=O)NNC(=O)c2cccs2)c1	745505813	YBBVTYXXGJQFBA-UHFFFAOYSA-N	319.342	1.070	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H]1CCO[C@H]1C)c1cccs1	843276678	GMVZBIWJDWARID-LPEHRKFASA-N	313.448	1.729	50	20	DDGD	
CC[C@](O)(CC(=O)NNC(=O)[C@H]1CCCCO1)c1ccccc1	840468516	GIHLKUHIUGYJEO-PBHICJAKSA-N	320.389	1.391	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)CC(C)(C)C)NC(=O)OC(C)(C)C	743336419	GOGYMHHYMUPPTC-SNVBAGLBSA-N	315.414	1.873	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(-c3ccccn3)no2)n1	742243917	KFXORFGDHBOSQQ-UHFFFAOYSA-N	312.289	1.292	50	20	DDGD	
CC(C)NCCCNC(=O)NNC(=O)c1ccc(Cl)cc1	841933751	HSWWPBXZEYSIIC-UHFFFAOYSA-N	312.801	1.672	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1C1CCC1)c1ccc2c(c1)OCO2	845076094	HFJRHSDGYCFJTN-NWDGAFQWSA-N	302.330	1.613	50	20	DDGD	
CN1CCN(CC(=O)NNC(=O)C(C)(C)C)c2ccc(F)cc21	744424383	VVJBCCUFWGKUJM-UHFFFAOYSA-N	322.384	1.275	50	20	DDGD	
CC(C)S(=O)(=O)CC(=O)NNc1cccc2cnccc12	748763433	ZYUWLSSUELXURL-UHFFFAOYSA-N	307.375	1.501	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2cc(C)n(C)n2)n1	841603732	NCJAXJQIINHMBK-UHFFFAOYSA-N	318.406	1.378	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1)[C@H](C)O	842236921	XHGDHCYNKCKJPK-IUCAKERBSA-N	322.390	1.306	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2c(C(F)(F)F)n[nH]c2C)n1	746582037	BMOXGZIIOASBKF-UHFFFAOYSA-N	314.271	1.901	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C2CCN(C)CC2)cc1	846375021	ZCYMELADASLZNI-UHFFFAOYSA-N	305.378	1.187	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc([N+](=O)[O-])c1	843649766	XEJGFDPUVJRXMF-SKDRFNHKSA-N	307.306	1.089	50	20	DDGD	
C[C@]1(C(=O)NNc2ncc(Br)cn2)CC1(F)F	848322738	MJWGAJDTXVEEMM-MRVPVSSYSA-N	307.098	1.728	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NN=Cc3ncnn3C)cc2C1	842521599	MNMBVMMKMPZZMW-VIFPVBQESA-N	303.391	1.765	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)c2ccc(-n3cnnn3)cc2)cn1	920984442	FZKUMMILFFZVRT-UHFFFAOYSA-N	324.348	1.033	50	20	DDGD	
CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)NNc1ccc(F)cn1	852691713	KNNLTALTTOMFQN-IAQYHMDHSA-N	324.356	1.969	50	20	DDGD	
C=C(C)[C@H](CC(=O)NNC(=O)c1cccc(Cl)n1)OCC	857323790	YTTFUGCKUCFRPL-NSHDSACASA-N	311.769	1.867	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NN=Cc1cccnc1	853375266	IJIPLCYXXWENAP-UKRRQHHQSA-N	313.361	1.433	50	20	DDGD	
CCn1cnc(C(=O)NNC(=O)c2cc3c(s2)CCC3)c1	854203938	YNGPKUJLZLNXLG-UHFFFAOYSA-N	304.375	1.528	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cccn1Cc1ccncc1	751381237	HBDIPOONJMZFRA-UHFFFAOYSA-N	301.350	1.284	50	20	DDGD	
CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(C)s1	920384467	LIKOXPZDSJEFPD-SNVBAGLBSA-N	315.420	1.267	50	20	DDGD	
CCC[C@H](C(=O)NNc1c(C)cccc1Cl)S(N)(=O)=O	854843274	MCQXYSYMTHHJFN-SNVBAGLBSA-N	319.814	1.549	50	20	DDGD	
C/C(=C\c1ccccc1)CN(C)CC(=O)NNC(=O)C1CC1	755194066	JCMRECSEFJLPJS-JLHYYAGUSA-N	301.390	1.579	50	20	DDGD	
C=CCN(CC(=O)NNC(=O)c1cccc(C#N)c1)C(C)C	756485884	CVBRDDGFZZBOHN-UHFFFAOYSA-N	300.362	1.216	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNc1cncc(Cl)n1)c1cnn(C)c1	927411872	LHAHCFKIROHDLE-GFCCVEGCSA-N	323.788	1.887	50	20	DDGD	
CCCOCC(=O)NNC(=O)Cn1c(CC)nc2ccccc21	920884736	PGZGGAYILGJXJN-UHFFFAOYSA-N	318.377	1.173	50	20	DDGD	
COC(=O)N(C)NC(=O)c1sc(Br)nc1C	854410221	URSRLOMUCOWWIA-UHFFFAOYSA-N	308.157	1.557	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCC[C@@H](O)c1ccccc1	855007662	XLXHPSRXGLVPSZ-AEGPPILISA-N	320.389	1.463	50	20	DDGD	
O=C(C[C@@H]1CSCCS1)NNC(=O)NC1CCCCC1	751540939	NXXNOHLPIRKTKQ-LLVKDONJSA-N	317.480	1.888	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@@H](O)C2CC2)ccc1OC(C)C	854235460	AXIVUGLIZIIETI-AWEZNQCLSA-N	322.361	1.014	50	20	DDGD	
N#C[C@@H](CCc1ccccc1)C(=O)NNC(=O)CC(F)(F)F	855001020	SPMZQFNTUHLXNL-LLVKDONJSA-N	313.279	1.859	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C/c1cccc(NS(C)(=O)=O)c1	853003664	BJJVQQHTEOEDQW-NTUHNPAUSA-N	321.402	1.737	50	20	DDGD	
Cc1c(C(=O)NCCCSC#N)nnn1Cc1ccncc1	854360173	IEFVJWCCSUNHCX-UHFFFAOYSA-N	316.390	1.364	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@H]1CCCN2CCCC[C@H]12	856919551	GFYLJWNYKQQBDF-NWDGAFQWSA-N	324.816	1.773	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)[C@]1(O)CCSC1	855622852	NYSJSEDBXMJXEN-NSHDSACASA-N	301.299	1.045	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccn1)c1cnc2n1CCC2	854677413	JSYGKAWNSNFUEV-UHFFFAOYSA-N	311.267	2.000	50	20	DDGD	
C[C@@]1(CNC(=O)NCCC2(O)CCC2)C[C@H]1Br	856856240	REIHIMOLBZEOCK-KOLCDFICSA-N	305.216	1.764	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cccc(Cn2cncn2)c1	858427699	GTUAFKBIBUDSIY-UHFFFAOYSA-N	313.361	1.278	50	20	DDGD	
CC(C)(C)OC(=O)[C@H](C(=O)NNc1ccncn1)C(C)(C)C	854746480	BBXMOIWHDGLZOO-NSHDSACASA-N	308.382	1.924	50	20	DDGD	
C[C@H](NC(=O)NC[C@]1(C)C[C@@H]1Br)c1nncn1C	856717804	FYKUPVGNVUBDCC-LAEOZQHASA-N	316.203	1.349	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2cnn(C3CC3)c2)c1	858127655	LPRKWFVFCRHVBF-UHFFFAOYSA-N	314.345	1.366	50	20	DDGD	
CC(C)Oc1ncccc1NC(=O)NNC(=O)c1cnccn1	755947983	XFRWANQGAKLOPN-UHFFFAOYSA-N	316.321	1.125	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cc2ccccc2OC)nc1	759739890	SHJSDJYFTFTQAK-UHFFFAOYSA-N	315.329	1.563	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)Cc2ccccc2OC)c[nH]1	753163589	QPJZZCIPKLRRRO-UHFFFAOYSA-N	315.329	1.503	50	20	DDGD	
COC(=O)NNC(=O)Nc1cccc(-c2nnnn2C(C)C)c1	861294691	BKSWYTICXSSOPK-UHFFFAOYSA-N	319.325	1.314	50	20	DDGD	
Cc1cccc2oc(C(=O)NNC(=O)C(=O)N3CCCC3)cc12	931248741	XWVQGUQAPHZYLJ-UHFFFAOYSA-N	315.329	1.125	50	20	DDGD	
CCOc1cc(C=NNC(=O)COC)ccc1OC(F)F	761826036	ZBIHAUWBJMPMGZ-UHFFFAOYSA-N	302.277	1.783	50	20	DDGD	
COCCOCC(=O)NNC(=O)CCCC1CCCCC1	869913126	AOYUCYPQCVIYRF-UHFFFAOYSA-N	300.399	1.547	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)C3CSC3)cc2C1	864517913	PSGLPQICRVEULB-MRVPVSSYSA-N	310.444	1.997	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNC(=O)CCc1ccc(OC)cc1	861765307	QSLCEYCKTZBYQM-OAHLLOKOSA-N	322.405	1.980	50	20	DDGD	
C[C@H](NNC(=O)Cc1ccc2c(c1)OCCO2)C(F)(F)F	862304272	LZOWEBJEBVNUIG-QMMMGPOBSA-N	304.268	1.572	50	20	DDGD	
COc1cc(C(=O)NNc2ncc(F)cn2)cc(OC)c1O	765310108	LBMFNEDLCZDPKG-UHFFFAOYSA-N	308.269	1.095	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)COc1ccccc1CC)C1CC1	863851705	LWRFYWVJFAWSBS-INIZCTEOSA-N	320.389	1.590	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNC(=O)c2cccc(C#N)c2)n1	865164459	FNDNLYLALDCAKQ-LLVKDONJSA-N	311.345	1.161	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccccc1[S@@](=O)CC	768265977	YQBVZVNKJKYCRT-FQEVSTJZSA-N	311.432	1.109	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1c(OC)cc(F)cc1OC	865213727	GGQLYKKZMSEADO-POHAHGRESA-N	308.309	1.512	50	20	DDGD	
CC[C@@]1(C(=O)NNC(=O)c2cccc(Cl)c2)CCNC1=O	864474203	LPDSJDWALJTIBS-CQSZACIVSA-N	309.753	1.017	50	20	DDGD	
CC[C@@H]1CN([C@H](CC)C(=O)NN[C@H](C)C(F)(F)F)CCO1	862319861	LTSAKWXWNBXTHI-GMTAPVOTSA-N	311.348	1.447	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H](C1CC1)C(C)(C)CO	867284237	WECQEXLPJDNIMN-NSHDSACASA-N	311.875	1.968	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCN2C(C)(C)C)cc1O	862994542	VWPKNRDVEWATTF-GFCCVEGCSA-N	305.378	1.334	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccnn2CC2CCC2)n1	866293833	DLGSEFYDQJGAQN-UHFFFAOYSA-N	316.365	1.547	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	766639438	CDALSUXSNSELKN-DTWKUNHWSA-N	315.295	1.948	50	20	DDGD	
C[C@H](NNC(=O)c1cc(-c2ccccn2)no1)C(F)(F)F	862310817	GRFDCKYMZYTNJD-ZETCQYMHSA-N	300.240	1.922	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1cc2c(cc1F)CCC(=O)N2	769957281	KUVAOZUUJYJNQN-UHFFFAOYSA-N	322.340	1.909	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C1CCC(C(F)(F)F)CC1	863186546	BFKRKHXKOZAIQE-UHFFFAOYSA-N	300.302	1.256	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NC2Cc3ccccc3C2)c1	762577958	YIQSPGFUETWQOS-UHFFFAOYSA-N	320.352	1.670	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1cccc(-n2ccnn2)c1	768495281	IADDGWZCKUVXMN-UHFFFAOYSA-N	319.328	1.901	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2cc(Cl)c3c(c2)OCO3)n[nH]1	764792977	HXGDJZFRFLUJDL-UHFFFAOYSA-N	306.709	1.864	50	20	DDGD	
COc1cc(C)ccc1C(C)=NNC(=O)[C@H]1CCS(=O)(=O)C1	767252580	DOWQTWUOJULRJW-LBPRGKRZSA-N	324.402	1.279	50	20	DDGD	
COc1ccnc(NNC(=O)Cc2ccccc2NC(C)=O)n1	767563861	DUEMZDKZZHZAFO-UHFFFAOYSA-N	315.333	1.129	50	20	DDGD	
CN(CC(=O)NNC(=O)Cc1ccccc1F)CC(C)(C)C	874447456	DCLXBBGZQICYCJ-UHFFFAOYSA-N	309.385	1.494	50	20	DDGD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NNC(=S)Nc1ccccn1	874956286	RXHUQSMENLKMGR-ZJUUUORDSA-N	306.391	1.405	50	20	DDGD	
COc1ccc2c(c1)CC[C@@H](C(=O)NNC(=O)c1ccc[nH]1)C2	877983121	GOTSUVNOWROUMS-CYBMUJFWSA-N	313.357	1.589	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc2ccc(F)c(F)c2n1	872400024	FJOIBLVGIMBFPR-UHFFFAOYSA-N	323.299	1.626	50	20	DDGD	
CCCCn1cc(S(=O)(=O)NNC(=O)[C@H](C)CC)c(C)n1	872339874	CMCNGWXMPLCWRF-SNVBAGLBSA-N	316.427	1.347	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CC[C@H](O)[C@@H]3CCCC[C@H]32)cn1	871196226	FZEQFEKFBKHYKS-VVOBYUKESA-N	314.389	1.479	50	20	DDGD	
COCc1ccc(NC(=O)NNC(=O)CC(F)(F)F)cc1	772611276	DOXFZWYFKNFYBS-UHFFFAOYSA-N	305.256	1.938	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccccc1Cl)[C@H]1CCOC1	1116911394	QPSYJPMLANAIPV-ZJUUUORDSA-N	311.769	1.709	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C	875575706	XAWHXEJDMQOYOK-AAEUAGOBSA-N	308.382	1.590	50	20	DDGD	
CCCc1csc(NC(=O)C(=O)NNc2ncc(F)cn2)n1	1116858337	SGTNDCLLYHJVLU-UHFFFAOYSA-N	324.341	1.107	50	20	DDGD	
CCn1nc(C(=O)NNc2c(F)cccc2Cl)ccc1=O	770198010	NSTCOSHTBOIOTN-UHFFFAOYSA-N	310.716	1.813	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(C)cc(Br)n1	879843976	QRSVEORDUNQTKK-UHFFFAOYSA-N	317.187	1.767	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@H]2CCSC2)nc1C	778422783	VHDGIXLVEOUXAE-VIFPVBQESA-N	310.379	1.158	50	20	DDGD	
O=C(NNC(=O)c1ccncn1)c1cccc(Br)c1	777698762	VOVVQIXSFIBHMH-UHFFFAOYSA-N	321.134	1.314	50	20	DDGD	
CC1(C)COc2ccc(C(=O)NNC(=O)c3cccnn3)cc21	882058478	HDXBZRMELWRMIJ-UHFFFAOYSA-N	312.329	1.221	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)N[C@H]1CCN(CC2CC2)C1	778672191	JJVDIIMPZBLODU-LBPRGKRZSA-N	309.801	1.845	50	20	DDGD	
COC(=O)c1cncc(C(=O)NNc2cnc3ccccc3n2)c1	774795226	ZGXDBLVJBJNHNK-UHFFFAOYSA-N	323.312	1.568	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)Nc1cccnn1	771177731	HYBRSUCSBCOUMY-UHFFFAOYSA-N	309.127	1.783	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H]2CC[C@@H](C)C2)c1	776429370	UVFUYNKLDFTRNW-OCCSQVGLSA-N	318.373	1.735	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cnn(C)c1-c1ccccc1	775540488	VUIZAWRHKCWMGJ-UHFFFAOYSA-N	324.344	1.193	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)C2CCOCC2)c(F)c1	883067091	UEWXCMPLXCXNBY-UHFFFAOYSA-N	309.341	1.079	50	20	DDGD	
O=C(NNC(=O)c1cncnc1-c1ccccc1)c1ccccn1	777835787	FSWYNOXRUWRABL-UHFFFAOYSA-N	319.324	1.613	50	20	DDGD	
Cc1ccn(CC(=O)OC[C@@H](C)CBr)c(=O)c1	773710027	USDACHFNMLGUEE-JTQLQIEISA-N	302.168	1.731	50	20	DDGD	
CN(NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1)C(N)=O	778415112	PSDIASRLBCDACD-LLVKDONJSA-N	322.365	1.294	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=C1CCc2cccnc21	884402419	SVLAYXVUCFJKGD-CYBMUJFWSA-N	300.406	1.970	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)C3CCOCC3)cc2s1	883069024	RGXOPNWCWZCDRD-UHFFFAOYSA-N	319.386	1.792	50	20	DDGD	
CN(CCCF)CC(=O)NNC(=O)c1ccccc1Cl	887139824	FXJXVXUSNOFIIR-UHFFFAOYSA-N	301.749	1.392	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cc2ccncc2s1	883070798	DHIFARIQORSPLF-UHFFFAOYSA-N	305.359	1.484	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCCCNc1ncccn1	787268789	YNTPCGYUVIQIPV-KAMYIIQDSA-N	323.356	1.708	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NC1(Cc2ccccc2)CC1	883751664	QZWSAUGXDNKNFO-TZMCWYRMSA-N	317.389	1.517	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCN(c2ccc(C)cc2)CC1	784391484	SVSAXGPISIOMQN-AWEZNQCLSA-N	318.421	1.063	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC(C(N)=O)CC1	781067139	RIGXNOYNLPIZEZ-VIFPVBQESA-N	305.216	1.520	50	20	DDGD	
CC(=O)CC(C)(C)CC(=O)NNC(=O)c1cccc(C#N)c1	788504685	QNZWZGFTRPYKQF-UHFFFAOYSA-N	301.346	1.715	50	20	DDGD	
Cc1ncc(NC(=O)C(=O)NNc2ccc(F)cc2F)cn1	783340272	LYYGKTKDFKRPTM-UHFFFAOYSA-N	307.260	1.145	50	20	DDGD	
N#C/C(=C/c1ccccc1)C(=O)OCC(=O)NC1CCOCC1	785379628	VRIQFOMDVYFZSD-UVTDQMKNSA-N	314.341	1.432	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@H]1CCCC[C@@H]1C(N)=O	781099351	UQAMOUUZZMTBCG-LPEHRKFASA-N	319.243	1.956	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cc(Br)c[nH]1	781818822	NCAKDMIRFSUNGZ-UHFFFAOYSA-N	316.546	1.978	50	20	DDGD	
NC(=O)[C@H]1CCC[C@H](C(=O)NNc2ccc3ccccc3n2)C1	787232720	GKSCNCIYCMAAJP-STQMWFEESA-N	312.373	1.970	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)NCCN1CCNC1=O	899473746	WQCACQLQHNZKQT-LLVKDONJSA-N	317.480	1.842	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2c(F)cc(F)cc2F)C(=O)O1	896384412	ZELBRMGDKBMIJG-SSDLBLMSSA-N	303.240	1.434	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)NCCN1CCNC1=O	891076395	XEWHBALQZRRGLB-UHFFFAOYSA-N	311.773	1.300	50	20	DDGD	
CSSCCNC(=O)N[C@@H](C(N)=O)c1ccc(F)cc1	790882017	JQKREQZGBLDSIT-SNVBAGLBSA-N	317.411	1.663	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cn(-c2ccccc2)cn1	899999465	NPGGQCQOFOZAIL-UHFFFAOYSA-N	317.418	1.780	50	20	DDGD	
CSc1c(F)cccc1C(=O)NNc1nnc(C)c(O)n1	798106375	CJMJYBKBSBDHAJ-UHFFFAOYSA-N	309.326	1.504	50	20	DDGD	
O=C(COC(=O)C1CCC1)NNC(=O)c1cccc(Cl)c1	790093137	BRDNIQTUSQQMGE-UHFFFAOYSA-N	310.737	1.444	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@@H](C)c1nnc2ccccn12	791013120	BQBBEGMPDQNSNN-NSHDSACASA-N	311.349	1.820	50	20	DDGD	
Cc1cncc(CCC(=O)NNC(=O)c2ccccc2F)c1	794186178	VHAPBGCLVKCZHS-UHFFFAOYSA-N	301.321	1.923	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(OC(C)C)c(C(N)=O)c1	797675784	NXEDNTVUPDKWDW-UHFFFAOYSA-N	308.338	1.135	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)NCc1ccc(F)cc1	794755321	YDJNSIWEKUGBPW-UHFFFAOYSA-N	303.297	1.179	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNc2nc3ccccn3n2)C1(C)C	790423273	WYDHPNQCIVPVMU-UWVGGRQHSA-N	304.354	1.169	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)COc1ccc(C)c(C)c1	792797894	QGWZSBYKLFWCDC-ZBEGNZNMSA-N	322.405	1.891	50	20	DDGD	
COc1ccccc1CONC(=O)NNC(=O)c1ccc(C)o1	798536087	FEIFDVNOTBCRJV-UHFFFAOYSA-N	319.317	1.672	50	20	DDGD	
C[S@@](=O)c1cccc(C(=O)NNc2nc3ccccn3n2)c1	791244557	LQSZBJXQLYHQHL-JOCHJYFZSA-N	315.358	1.224	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cncn2-c2ccccc2)c(C)[nH]1	1317814772	CYZNDFRBVWGTAG-UHFFFAOYSA-N	323.356	1.892	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ccnc(C3CC3)n2)c1Cl	1319425199	NXEZFKWMKLCLSK-UHFFFAOYSA-N	305.729	1.137	50	20	DDGD	
CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N(C)N)C1	1573956477	DUHWTMYRBMNWND-BBRMVZONSA-N	321.377	1.135	50	20	DDGD	
COC(=O)C(=O)NNC(=O)NCCCc1ccc(C(C)C)cc1	1319003018	GNCAEGAUUPWJBK-UHFFFAOYSA-N	321.377	1.246	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NNc2ncncc2F)c(C)c1	1324460114	IWXXDWJSBPRXQL-UHFFFAOYSA-N	318.312	1.432	50	20	DDGD	
CC[C@@H]1CCN(C(=O)C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	1328548719	VENSHBPFCWHRHH-GBIKHYSHSA-N	317.227	1.535	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H]2CCCC[C@@H]2N(C)C)nc1	1255372448	SUPYNCQDCPJVRV-STQMWFEESA-N	307.398	1.589	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)NC[C@@H]2C=CCC2)C[C@@H]1Br	1338780740	YRUGNTXISHGGQO-GBIKHYSHSA-N	315.211	1.359	50	20	DDGD	
C[C@@H](OC1CCCCC1)C(=O)NNC(=O)Cc1ccncc1	1339850510	BKKJESMHIUWVGL-GFCCVEGCSA-N	305.378	1.509	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1ccc(C)c(O)c1)C1CCOCC1	1262037140	MMCXPLZRNJDQAY-HNNXBMFYSA-N	306.362	1.858	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C[C@@H](C)n2ccnc2)cc1	1261507709	IPYUGXWXOGSIST-LLVKDONJSA-N	302.334	1.304	50	20	DDGD	
C[C@H]1C[C@@H](C)CN1C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1347966830	JHFXFNQVXWKUPN-KEPMVKOISA-N	317.227	1.533	50	20	DDGD	
C=C(C)CN(CC)C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1347962826	AUKQXNUNNKMCJM-ZWNOBZJWSA-N	317.227	1.701	50	20	DDGD	
CC(=NNC(=O)C[n+]1ccccc1)[C@@H](C)NC(=O)OC(C)(C)C	1261207593	KAOBJXOPBKMNGB-GFCCVEGCSA-O	321.401	1.379	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(C)c1	1345732472	IMEVSJUSIOAQIY-SMDDNHRTSA-N	321.377	1.259	50	20	DDGD	
Cc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1C	1351034082	AIAGNIDGZVXSAQ-DRPJVOAASA-N	316.401	1.979	50	20	DDGD	
N#C/C(=C/c1cn(C[C@H]2CCCO2)nn1)C(=O)C1CCOCC1	1351756165	JFWWTIIMCBAHQM-JEMSNHSXSA-N	316.361	1.360	50	20	DDGD	
COc1cncc(C(=O)OC[C@]2(C)C[C@@H]2Br)n1	1515799129	MVFBKXBGKAZHCB-KWQFWETISA-N	301.140	1.816	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H]1CC[C@@H]2C[C@@H](C)CN2C1	1527391828	XWKITBCAFHOXFC-BPLDGKMQSA-N	315.417	1.876	50	20	DDGD	
Cc1cc(CNC(=O)NNc2cccc(C(=O)O)c2)n(C)n1	1607642734	ALUGXBPZGKDGHF-UHFFFAOYSA-N	303.322	1.253	50	20	DDGD	
O=C(NCCCCC1(C(=O)O)CCC1)NNC(=O)C1CCC1	1608443178	XLZDXPSIGFCLID-UHFFFAOYSA-N	311.382	1.542	50	20	DDGD	
Cn1cncc1CC(=O)NNc1ccc(C(=O)O)c(Cl)c1	1608136898	YLPSPJCOZISUAP-UHFFFAOYSA-N	308.725	1.458	50	20	DDGD	
O=C(Cc1c[nH]c2ncccc12)NNc1ccccc1C(=O)O	1601353493	PDCFUSGTHWXGET-UHFFFAOYSA-N	310.313	1.947	50	20	DDGD	
CC(=O)N[C@H](CC(C)C)C(=O)NNc1ccc(CC(=O)O)cc1	1603058039	JZQWGLXHSULYGP-CQSZACIVSA-N	321.377	1.308	50	20	DDGD	
O=C(NNc1ccccn1)c1ccc(-c2nn[nH]n2)c(Cl)c1	1606862140	UCFUQVBWPHUIFG-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
Cc1[nH]c(C(=O)NNc2ccccc2[N+](=O)[O-])c(C)c1C(=O)O	1607491845	AQYGTJKJKJVOEX-UHFFFAOYSA-N	318.289	1.995	50	20	DDGD	
C[C@@H](NC(=O)c1ccoc1)C(=O)NNc1cccc(C(=O)O)c1	1604314369	XGCRYBVEZLSVDI-SECBINFHSA-N	317.301	1.239	50	20	DDGD	
O=C(O)c1cccc(C(=O)NNC(=O)c2cccc(Cl)n2)c1	1602433056	AFFLLTPYLREXID-UHFFFAOYSA-N	319.704	1.508	50	20	DDGD	
O=C(O)c1ccnc(C(=O)NNC(=O)c2ccc(Cl)cc2)c1	1602482412	YAKCRULLYWQHCG-UHFFFAOYSA-N	319.704	1.508	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@]2(C(=O)O)C[C@H]3CC[C@H]2C3)c1	1605381278	MBQUXHMFAYVQNN-YHAQOWFVSA-N	322.386	1.709	50	20	DDGD	
Cn1c(CC(=O)NN=C2CC(CC(=O)O)C2)nc2ccccc21	1600910933	DFZJUXRAXQBUHF-UHFFFAOYSA-N	314.345	1.473	50	20	DDGD	
O=C(O)c1ccc2c(c1)OCCN(S(=O)(=O)CCl)C2	1602426308	QHVMWRNFKHSUKT-UHFFFAOYSA-N	305.739	1.105	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1C(=O)O	1600455492	OSAFYXLODROGPO-MWLCHTKSSA-N	321.333	1.271	50	20	DDGD	
C[C@@H](CNC(=O)OC(C)(C)C)N(C)S(=O)(=O)CCl	830452057	XDFNJLNGPUIWKE-QMMMGPOBSA-N	300.808	1.358	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C[C@@H]1CCCO[C@@H]1c1cnn(C)c1	1552450236	UVPOMFACOKXSBM-FZMZJTMJSA-N	316.365	1.335	50	20	DDGD	
O=C(CN1CCNCC1)NNc1cc(C(F)(F)F)ccc1F	1574300354	JFTAJDKGOCTCCT-UHFFFAOYSA-N	320.290	1.193	50	20	DDGD	
C[C@]1(C(=O)NNc2c(F)cc(F)cc2F)C[C@@H](N)CCO1	1576349767	ICGIIZURJXEFAN-ISVAXAHUSA-N	303.284	1.443	50	20	DDGD	
Cc1[nH]ccc1C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843364242	YGKZHHSQDNYETR-LLVKDONJSA-N	313.760	1.675	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H]2C[C@@H](C(=O)O)C2)ccc1F	1598948737	CTKZFAKNHMKZIU-OCAPTIKFSA-N	310.281	1.166	50	20	DDGD	
Cc1cc[nH]c1C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1842228468	QHTIVTRGDLMVSD-LLVKDONJSA-N	313.760	1.675	50	20	DDGD	
O=C(Cc1ccccc1C(=O)O)NNc1cccc([N+](=O)[O-])c1	1594709681	GPZWXDPWFYGENN-UHFFFAOYSA-N	315.285	1.979	50	20	DDGD	
Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNc1c(F)cccc1F	1591784927	ZBODBEZSLBTFRW-UHFFFAOYSA-N	319.275	1.538	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)N[C@H]1CCCC1(F)F	1593165983	POMVHVIJBLDXOO-JTQLQIEISA-N	323.307	1.681	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@@H]1CC[C@H]2CCCCN12	1595261841	KEWRSDYVMDOULT-PWSUYJOCSA-N	304.350	1.240	50	20	DDGD	
O=C(NC[C@@H]1CCCCO1)NNc1cccc(-c2nn[nH]n2)c1	1593033770	WZZSPNPLIBEUPF-LBPRGKRZSA-N	317.353	1.062	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cc(C(=O)O)co2)c(OC)c1	1599484960	MAWXXEKYWMDRMH-UHFFFAOYSA-N	318.285	1.759	50	20	DDGD	
CC1=NO[C@@](C)(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)C1	1594119293	PDKOHTCGUBRTJI-CYBMUJFWSA-N	308.246	1.753	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCC1(C(=O)O)CCCC1	1776293737	FAFZJQOTUPPBIG-UHFFFAOYSA-N	311.831	1.816	50	20	DDGD	
O=C(NN=Cc1cccc(F)c1C(=O)O)c1ccccc1O	1776017541	JHDKFVJETMULDI-UHFFFAOYSA-N	302.261	1.993	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NN=Cc1ccc(/C=C/C(=O)O)o1	1776098623	QZHXOEMZFDYYOJ-XJPNDALQSA-N	319.361	1.700	50	20	DDGD	
CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CO[Si](C)(C)C)C2	1795486892	ACXGOPOBEFMOIP-CLLJXQQHSA-N	312.486	1.886	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccccc1CN1CCSCC1	162289715	DWKMZRGRZNAWGR-UHFFFAOYSA-N	308.407	1.408	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)COc1ccc(C(N)=O)cc1	160892667	IRWFJFZOHJXWPZ-UHFFFAOYSA-N	317.320	1.755	50	20	DDGD	
NC(=O)[C@H](NNC(=O)COCc1ccccc1)c1ccccc1	160961506	PAOMISSLJZLJKG-MRXNPFEDSA-N	313.357	1.051	50	20	DDGD	
O=S(=O)(CBr)NC[C@H]1CSCCS1	163934565	JELRWPKXEZQNIF-LURJTMIESA-N	306.272	1.107	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)c2cccn2C)c(F)c1	152109878	LBALLJKWDCIDAV-UHFFFAOYSA-N	304.325	1.305	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2cccc3cccnc23)[nH]n1	153083881	HULRPUBJXONXRV-UHFFFAOYSA-N	309.329	1.270	50	20	DDGD	
C[C@@H](OC1CCCCCC1)C(=O)NNC(=O)Cc1cccnc1	153477607	QAEMYLVXIQESEG-CYBMUJFWSA-N	319.405	1.899	50	20	DDGD	
O=C(CCn1cncn1)NNc1ccccc1Br	153608863	FFXLRMCZOPOTJE-UHFFFAOYSA-N	310.155	1.574	50	20	DDGD	
C=CCOc1ccc(C(=O)NNc2ncnc3nc[nH]c23)cc1	156239490	WRAZJBLLGRTXFN-UHFFFAOYSA-N	310.317	1.675	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H]2CCO[C@H](C3CC3)C2)nc1	157713905	ODLOGBMDXPPWKD-AAEUAGOBSA-N	306.366	1.674	50	20	DDGD	
CC(=O)Nc1cc(NC(=O)NNc2ncccn2)ccc1F	154510907	MEXSCQJOTLOJRM-UHFFFAOYSA-N	304.285	1.723	50	20	DDGD	
C[C@H](Cl)C(=O)NCc1cccnc1N1CCC[C@H](C(N)=O)C1	1887504134	KESUSXHZULJFGN-JQWIXIFHSA-N	324.812	1.027	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1ccncc1	577870	WVOUZNJYKMHVCP-JTQLQIEISA-N	319.748	1.964	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@@H]1CCOc2ccccc21	108887273	NWOQSOLQTAMIKC-NSHDSACASA-N	305.378	1.929	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(Cn2cccn2)cc1	54867144	BJTDBWGXVUTUQM-UHFFFAOYSA-N	315.402	1.226	50	20	DDGD	
CC(C)(C)NC(=O)NNC(=O)c1cc(Br)c[nH]1	102665314	JSTSZSFFHDJVJE-UHFFFAOYSA-N	303.160	1.520	50	20	DDGD	
O=C(CNC(=O)c1cc(F)cc(F)c1)NNc1ccnc(F)c1	119847125	RHHIYLJMKVMBOT-UHFFFAOYSA-N	324.262	1.372	50	20	DDGD	
CC1CCN([C@@H](C)CNC(=O)NNC(=O)CC(C)(C)C)CC1	103311275	WFXJRVWOGROEAT-ZDUSSCGKSA-N	312.458	1.873	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@H]2CCOc3ccccc32)cc1	102866846	POEFBMJITAAXEV-HNNXBMFYSA-N	321.336	1.886	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)c1ccc(F)c(F)c1	109833413	ORTDXDUNZZVUOI-SNVBAGLBSA-N	313.348	1.983	50	20	DDGD	
O=C(NCCc1nccs1)NNC(=O)c1ccc(Cl)cc1	51756504	VMTSYFDLRIQXLR-UHFFFAOYSA-N	324.793	1.983	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNC(=O)c2c[nH]nc2C)cc1	109996197	OTFBBCWBHGUZDK-UHFFFAOYSA-N	314.345	1.451	50	20	DDGD	
CC(C)c1nc(CCNC(=O)NNc2cccnn2)cs1	172496797	GYJFZRMMMDJBNG-UHFFFAOYSA-N	306.395	1.925	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)c1ccccc1Cl	117955559	GMTGBHLJKXPCQA-SECBINFHSA-N	321.768	1.779	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCc1c(C)cc(C)cc1C	66700564	RANNYOSCQRKREU-UHFFFAOYSA-N	307.394	1.521	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)N[C@H]1CCOC1	178749465	DNIIMQWDKINUOC-HNNXBMFYSA-N	313.357	1.502	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H](c1ccccc1)N1CCSCC1	69972827	YRROUMPYIZNSAF-ZDUSSCGKSA-N	323.418	1.554	50	20	DDGD	
CC(=O)NNC(=O)c1cccc(NC(=O)c2cccs2)c1	60879085	FTQSQEXVUJJUMS-UHFFFAOYSA-N	303.343	1.781	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1cncc(C)c1	174940724	WBUFXWWHIDBNFK-UHFFFAOYSA-N	313.357	1.792	50	20	DDGD	
O=C(CSCC(=O)c1ccccc1)NNc1cccnn1	172368364	IYURSRFRLULZOO-UHFFFAOYSA-N	302.359	1.536	50	20	DDGD	
Cc1ccccc1NNC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O	119993792	LPCWZALLDPSCCE-INIZCTEOSA-N	316.361	1.159	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=S)N[C@H](C)C2CC2)cc1	171168925	BNZQPQBQMVPWBG-LLVKDONJSA-N	321.446	1.922	50	20	DDGD	
COc1ccc(Cl)cc1C(=O)NNc1nnc(C)c(O)n1	29066465	HUVMIAOAMVMMJD-UHFFFAOYSA-N	309.713	1.305	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H](C)OCCC(C)C	67430612	IEXNOWZNEJTUAL-GFCCVEGCSA-N	308.378	1.907	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(-n3cnnc3)cc2)nc(C)n1	128780075	QISDTPMCKGPONC-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H](CC)OC)cc1	67812055	ZZGRHZVLGUPGBP-RISCZKNCSA-N	324.377	1.425	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1cc(F)c(F)c(F)c1	186046771	XHBQDWWBTIPRRP-UHFFFAOYSA-N	324.262	1.894	50	20	DDGD	
COCCOc1ccc(CNC(=O)NNc2ccccn2)cc1	79425309	NONBKNPGNSGJQB-UHFFFAOYSA-N	316.361	1.933	50	20	DDGD	
CCc1ccnc(C(=O)NNc2cccc(S(C)(=O)=O)c2)c1	181155387	NZJHCOOJWKDPJG-UHFFFAOYSA-N	319.386	1.804	50	20	DDGD	
CC[C@H]1C[C@H](C(=O)NNC(=O)COc2ccc(F)cc2)CCO1	183340770	HXRZCKOUTPLBMP-YPMHNXCESA-N	324.352	1.557	50	20	DDGD	
C[C@@H](CNC(=O)NNc1cccnn1)Oc1ccc(F)cc1	75434779	ZKQIRNMACSXSPC-JTQLQIEISA-N	305.313	1.709	50	20	DDGD	
CC[C@@H](Cc1ccccc1)N(C)CC(=O)NNC(=O)C1CC1	128632079	BUVJGMRKHXDZIB-HNNXBMFYSA-N	303.406	1.497	50	20	DDGD	
CO[C@H](C)C(=O)NNC(=O)c1ccc(Br)s1	77648596	RJVFVZCCOUYWDF-RXMQYKEDSA-N	307.169	1.307	50	20	DDGD	
Cc1nc2c(cnn2C(C)C)cc1C(=O)NNc1ncccn1	124037514	PVKMFYMAJCYUCF-UHFFFAOYSA-N	311.349	1.868	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2cccnc2)on1)c1ccccn1	46894756	NHUFIXMUGMATGD-UHFFFAOYSA-N	309.285	1.206	50	20	DDGD	
CC(=O)N(CCc1ccccc1)CC(=O)NNc1ccccn1	181163257	HLLYRGQPEGDWPP-UHFFFAOYSA-N	312.373	1.616	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(OC(F)F)n(C)n2)nc1	187483731	CAJUQBVHVRKVLU-UHFFFAOYSA-N	313.264	1.182	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)nc1)Nc1cccc(F)n1	134238054	CMVUUPKWUYAGQI-UHFFFAOYSA-N	309.688	1.736	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCc1ccc2ccccc2c1	190057398	PJDNUYQZPOKASP-UHFFFAOYSA-N	300.358	1.691	50	20	DDGD	
Cc1cc(/C=C(\C#N)C(=O)NCC(N)=O)c(C)n1CCC(C)C	192732065	XNGITQFTUMBUOQ-OVCLIPMQSA-N	316.405	1.660	50	20	DDGD	
CCCN(CC(=O)OC)C(=O)/C(C#N)=C\c1ccc(O)cc1	194361007	OYAJCTTYAMYFGN-LCYFTJDESA-N	302.330	1.711	50	20	DDGD	
COc1ccsc1C(=O)NNc1nc2ccccc2c(=O)[nH]1	137174782	HSDAZVPMRILNOE-UHFFFAOYSA-N	316.342	1.750	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)c1	190047980	WKCZXMRNSNTLBJ-UHFFFAOYSA-N	313.292	1.483	50	20	DDGD	
CCc1cccc(NC(=O)C(=O)NNc2nc3ccccn3n2)c1	190614034	AYUNEMRKUCYTMP-UHFFFAOYSA-N	324.344	1.374	50	20	DDGD	
Cc1nc2ccccc2n1CCNS(=O)(=O)CCCCl	40809880	WCCKZTOXRWBMLK-UHFFFAOYSA-N	315.826	1.893	50	20	DDGD	
CN(C)C(=O)NNC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1	194507629	FXKMLBWQVQJQQQ-UHFFFAOYSA-N	320.393	1.016	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)CC2CCCC2)n1	193811456	QWGOXQOAIYJXQG-UHFFFAOYSA-N	304.350	1.056	50	20	DDGD	
NCCCC(=O)NNc1c(F)cc(F)cc1Br	237929301	NVVJDNVLYCKWKS-UHFFFAOYSA-N	308.126	1.909	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cn1	246339286	BSSIXCBNAWEVOD-NHCYSSNCSA-N	320.418	1.844	50	20	DDGD	
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NNC(=O)c1ccccc1F	268171908	QTWCLWMNVXGXJU-QMTHXVAHSA-N	320.368	1.252	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)N[C@@H]1CC=CCC1	265602769	XHZFWSIMDIWKPB-GFCCVEGCSA-N	319.361	1.513	50	20	DDGD	
O=C(CSc1ccc([N+](=O)[O-])cc1)NNC(=O)C1CCC1	264815980	WQHNSQXYXAJINP-UHFFFAOYSA-N	309.347	1.634	50	20	DDGD	
COC(=O)c1cc(OC(=O)COCC2CC2)ccc1[N+](=O)[O-]	264834665	YBGZYAPAHBQMSU-UHFFFAOYSA-N	309.274	1.713	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C/c1cccc(OCC(=O)O)c1	264936901	RONNOTZRQKBGDF-MDWZMJQESA-N	302.330	1.973	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)cc1	264977361	CKXZRWJEVYKKIL-HZSPNIEDSA-N	303.362	1.122	50	20	DDGD	
CC1=C(C(=O)NNC(=O)COc2ccc(C#N)cc2)CCCO1	270039745	GURHNUDKOBNVPX-UHFFFAOYSA-N	315.329	1.169	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1cccc2c1CCCC2	271683541	GWDDBVCJHIEONQ-UHFFFAOYSA-N	317.389	1.697	50	20	DDGD	
Cc1nnc([C@H](C)NC(=O)NNc2nc3ccccn3n2)s1	276664501	CSDYMNPJVSBPGY-ZETCQYMHSA-N	318.366	1.277	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H]2COC3(CCCC3)O2)nn1	271639060	ZNQLPQGLSITPKY-LLVKDONJSA-N	307.354	1.097	50	20	DDGD	
O=S(=O)(CBr)N1C[C@@H](O)Cc2ccccc21	278873936	YVYTXOSRGNTTGQ-VIFPVBQESA-N	306.181	1.092	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)C1CCOCC1	270585946	RTXTUOQTMMCGLV-UHFFFAOYSA-N	324.402	1.361	50	20	DDGD	
COCCOc1ccc(NC(=O)NNC(=O)C2CCC2)cc1	272371139	SAHMXKPNGRQFMZ-UHFFFAOYSA-N	307.350	1.665	50	20	DDGD	
Cc1nnc(CNC(=O)[C@H](Br)C(C)(C)C)n1C	274312015	ARJJKPGYWHHWLB-VIFPVBQESA-N	303.204	1.549	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1	271468450	YLKDHGLJLOMQND-UHFFFAOYSA-N	307.398	1.822	50	20	DDGD	
CCc1ccccc1N1C[C@H](C(=O)NN(C)C(=O)OC)CC1=O	286264205	HSAHOCPILMUQDH-GFCCVEGCSA-N	319.361	1.331	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cnn(Cc2ccc(OC)cc2)c1	286259727	HKBKLWBBSVGRLR-UHFFFAOYSA-N	318.333	1.283	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Cn1ccc2ccccc2c1=O	280266871	UPISDYOMFOIIJS-UHFFFAOYSA-N	315.373	1.585	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2nccnc2C2CCC2)o1	287183073	LSNAXJDJFIQKAI-UHFFFAOYSA-N	316.317	1.881	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C[C@H]1CCC(=O)[C@@H]1C	280591029	SYLGWCWPYSUWCC-GHMZBOCLSA-N	304.346	1.462	50	20	DDGD	
CSSCCNC(=O)c1cnc2c(c1)NC(=O)CS2	285844916	XVYPGYMKCSOXAB-UHFFFAOYSA-N	315.445	1.867	50	20	DDGD	
CC#CCCCC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	282789534	LZLMVCMHRHSLNI-UHFFFAOYSA-N	301.346	1.275	50	20	DDGD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)CCc1ccccc1O	280791463	USPFNZJGPRBWGE-YPMHNXCESA-N	318.373	1.478	50	20	DDGD	
COC(=O)/C(C#N)=C\c1ncc(I)s1	389316439	QHLGJZJCIZUTJU-DJWKRKHSSA-N	320.111	1.828	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)C(=O)N1CCC(C)CC1	281305033	RSKSFDWZBXQRLP-UHFFFAOYSA-N	318.377	1.406	50	20	DDGD	
CCOC1CC(C(=O)NNc2nccc(N(CC)CC)n2)C1	288566513	XGISSSWIMTZRMB-UHFFFAOYSA-N	307.398	1.581	50	20	DDGD	
CC(C)Oc1ncccc1C(=O)NNC(=O)c1cccn1C	283794918	GCYLKXXKVJHVFS-UHFFFAOYSA-N	302.334	1.282	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)cc1[N+](=O)[O-]	295364210	JMKPSPYFSCIZKY-ZDUSSCGKSA-N	321.333	1.487	50	20	DDGD	
C[C@@H](OCCc1ccccc1)C(=O)NNc1ncncc1F	295337571	NIKPBMIQZFJFQQ-LLVKDONJSA-N	304.325	1.707	50	20	DDGD	
CSCc1cnc(/C=C(\C#N)S(=O)(=O)NC2CC2)s1	295844049	ICZKLJUUNHTOQD-ONNFQVAWSA-N	315.445	1.952	50	20	DDGD	
Cc1ccn2ncc(C(=O)NNC(=O)NCC(F)(F)F)c2c1	296231432	OIEZTFGNKBVCCR-UHFFFAOYSA-N	315.255	1.149	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)C[S@](=O)CC)cc1C	295280121	BHJOOTUAVIUBJE-OAQYLSRUSA-N	312.391	1.383	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(-n3ccnc3)nn2)c(C)c1	804955520	UWESCNPLQGTIDL-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
C#CCOc1ccc(CNC(=O)NNC(=O)C2CCC2)cc1	296932239	GKMAKHKNHQTTOB-UHFFFAOYSA-N	301.346	1.329	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1ccc(OC(F)F)nc1	802564360	IHTOJQYPUYHQJR-UHFFFAOYSA-N	323.259	1.160	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1cccc2c1COC2=O	808907546	MMJZLFUQJVLYGJ-UHFFFAOYSA-N	300.274	1.152	50	20	DDGD	
O=C(NCCc1nc2ccccc2[nH]1)NNc1ncccc1F	804882173	XOROLZUSRALBII-UHFFFAOYSA-N	314.324	1.966	50	20	DDGD	
CCOC(=O)CC(C)(C)CC(=O)NNC(=O)CC(C)(C)C	806785530	MSNGNMGRXRVDMD-UHFFFAOYSA-N	300.399	1.940	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2cccc(F)n2)cnc1Cl	807391999	OWKQLKLPCQYAGM-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
CC(C)(CCNC(=O)NNC(=O)c1cccc(C#N)c1)C(=O)O	818625320	YTDCUUJUEKWZBR-UHFFFAOYSA-N	318.333	1.003	50	20	DDGD	
Cc1ccc(CCC(=O)NNc2ccc(C(N)=O)nn2)s1	810507811	BQYLHSNSCLOKNY-UHFFFAOYSA-N	305.363	1.021	50	20	DDGD	
O=C(NCC[C@@]1(O)C[C@H]2CC[C@H]1C2)NNc1ncncc1F	814347052	SVOSJYMRSGDSEO-PKFCDNJMSA-N	309.345	1.183	50	20	DDGD	
Cc1cc(C(=O)NNc2cnnn2C)c2cnn(C(C)C)c2n1	816770596	DZRHFIHZHKUINQ-UHFFFAOYSA-N	314.353	1.206	50	20	DDGD	
C[C@@H]1Oc2c(cccc2C(=O)NNc2ncncc2F)NC1=O	817080872	INWOYKKJNGFHNB-ZETCQYMHSA-N	317.280	1.092	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc(Cl)n1)[C@H]1CN(C)CCO1	814314042	WFCLQFKDTKVSTA-NXEZZACHSA-N	313.789	1.080	50	20	DDGD	
C[C@@H](OC[C@H]1CCCO1)C(=O)NNc1nc2ccccc2n1C	816580180	WINAIIFOTOWHPH-VXGBXAGGSA-N	318.377	1.601	50	20	DDGD	
CCOc1ccc(C(=O)NNc2ncncc2F)cc1[N+](=O)[O-]	817068067	WEKBJQAMTULOGB-UHFFFAOYSA-N	321.268	1.680	50	20	DDGD	
CN(C)C(=O)COc1ccccc1C=NNC(=O)CC1CC1	814988602	OEDZYXMTSAFDTH-UHFFFAOYSA-N	303.362	1.404	50	20	DDGD	
O=C(NN=C1COc2ccccc21)c1ccc2c(c1)OCCO2	814788616	CWISVVDMDQDCFT-UHFFFAOYSA-N	310.309	1.984	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1cc(C(F)(F)F)ccc1F	728502904	SWCVKGSGVAQYQM-UHFFFAOYSA-N	314.260	1.564	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@@H]1Cc2cccc(C)c2O1	826981964	BJWKZHOQXQOEEP-INIZCTEOSA-N	324.380	1.997	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC[C@H](c2ccccc2)C1	827307697	UHQACNYUZWQFNI-AEGPPILISA-N	317.389	1.642	50	20	DDGD	
CC(=O)c1ccc(S(=O)(=O)NNC(=O)OC(C)(C)C)cc1	490541914	NZSVXLVMHXCNPY-UHFFFAOYSA-N	314.363	1.607	50	20	DDGD	
CCCN(NC(=O)CCNC(=O)OCC)C(=O)OC(C)(C)C	496072193	QYPBZXDREHMDJR-UHFFFAOYSA-N	317.386	1.801	50	20	DDGD	
O=C(NNS(=O)(=O)c1cc(F)c(F)cc1F)C1CCCC1	729836040	KPPRFVSVMPMSSC-UHFFFAOYSA-N	322.308	1.604	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(C(=O)OC)c(F)cc1F	494469141	JNIRBNVGDZLPNE-UHFFFAOYSA-N	317.248	1.534	50	20	DDGD	
Cc1nn(-c2ccccc2)cc1C(=O)NNC(=O)c1ccccn1	726520617	HSPGCFYWEDSCPJ-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
CC(C)C(=O)N1CCCC[C@H]1C(=O)NNC(=O)OC(C)(C)C	490732722	APDRNUQMFBLKRD-NSHDSACASA-N	313.398	1.579	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCC[C@H](OCC3CC3)C2)cn1	491079611	AUVQKNCJWYHDBX-UJPCXNRSSA-N	314.389	1.745	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccc(F)cc1	825930193	QMVMCOTVHBKYIH-UHIISALHSA-N	323.368	1.685	50	20	DDGD	
CCCN(NC(=O)C(=O)NCC(F)F)C(=O)OC(C)(C)C	495694820	HFFWXMZTBLAFRM-UHFFFAOYSA-N	309.313	1.046	50	20	DDGD	
CCO/C=C/C(=O)NNC(=O)[C@H](C)Oc1ccc(OCC)cc1	492878814	ANATYZWQCFNOFP-IIANPFDCSA-N	322.361	1.550	50	20	DDGD	
O=C(NNc1ccccc1)c1ncc(-c2nn[nH]n2)cc1Cl	826449414	RBVYDZVBMPXDTK-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
CCN(CC)C[C@@H]1CCN(C(=O)/C(C#N)=C\c2cnn(C)c2)C1	491136008	UZKYQVUGMXJXMW-XTIFCCNPSA-N	315.421	1.517	50	20	DDGD	
CO[C@@H](CNCc1ccc(B(O)O)cc1F)c1ccc(F)cc1	585027364	REWLERKWKYSEPE-INIZCTEOSA-N	321.132	1.122	50	20	DDGD	
CN(c1ccccc1NCc1ccc(B(O)O)o1)C1CCCC1	585016098	GYDSTDAFOYLQJC-UHFFFAOYSA-N	314.194	1.950	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@@H](c2cccnc2)C1	827260110	OGHBHOWCLAYZOO-YUTCNCBUSA-N	318.377	1.037	50	20	DDGD	
CC(C)(C)[C@@H]1C[C@@H](NCc2ccc(B(O)O)cc2F)CCO1	585031657	IOUADKCFISPQIS-ZFWWWQNUSA-N	309.190	1.189	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H](C(C)C)N(C)C	822728339	QGTLSHZBHPTPTJ-CYBMUJFWSA-N	311.357	1.642	50	20	DDGD	
O=C(O)c1ccccc1CC(=O)N1C[C@H]2[C@H](Br)[C@H]2C1	902741216	OGRUVCVEDKXBDA-PJXYFTJBSA-N	324.174	1.779	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@H]2CCN(C3CC3)C2)cc(C#N)n1C	490636985	DSWGYTMGLYSWOF-GSHXUFRSSA-N	323.400	1.465	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1c(O)cccc1O	826446498	NYGRROAODFLFAP-UHFFFAOYSA-N	312.289	1.035	50	20	DDGD	
CCOC(=O)NNC(=O)c1c[nH]c2c(F)cc(F)cc2c1=O	495479404	IBRIYNWSFBBKBB-UHFFFAOYSA-N	311.244	1.197	50	20	DDGD	
COc1ccc2onc(CC(=O)NNC(=O)OC(C)(C)C)c2c1	496951465	VJJGVFJCIXKKCF-UHFFFAOYSA-N	321.333	1.935	50	20	DDGD	
O=C(/C=C\c1ccc[nH]1)NNC(=O)[C@@H]1COc2ccccc2O1	492041343	KPIVTUSELFABQB-DANTVBBOSA-N	313.313	1.015	50	20	DDGD	
C[C@@H]1c2c(F)cccc2CCN1CC(=O)NNC(=O)C1CC1	738338252	GHFDKBXCFWJSLV-SNVBAGLBSA-N	305.353	1.302	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1ccc(-c2coc(C)n2)cc1	491441294	RUUVXJVSBVREKV-UHFFFAOYSA-N	311.319	1.199	50	20	DDGD	
CC(C)(C)C[C@H](O)CNC(=O)NNC(=O)c1cccc(C#N)c1	735325858	JHAQOSLPKZBRES-ZDUSSCGKSA-N	318.377	1.299	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCOC3(CCCC3)C2)cn1	491045029	DMZCIFJUMZVBGV-ZSOIEALJSA-N	300.362	1.499	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1ccccc1F	906629291	VXERJANTUIQZDD-WFASDCNBSA-N	306.337	1.497	50	20	DDGD	
C#CCCCC(=O)NN[C@H](C(=O)OC)c1cccc(Cl)c1	901643164	HLKXRMGBSYPJOJ-AWEZNQCLSA-N	308.765	1.978	50	20	DDGD	
CO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)C(C)(C)c1ccccc1	836290993	RXPSTBSBPLCBLJ-ZIAGYGMSSA-N	319.405	1.862	50	20	DDGD	
C[C@]1(C(=O)NCCCN2CCC(O)CC2)C[C@H]1Br	906740157	TYTPNIONLDMTQU-YPMHNXCESA-N	319.243	1.123	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1C[C@@H](C)Oc2ccccc21	732214463	SNBUNBKPFBMDEB-CHWSQXEVSA-N	319.405	1.856	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@H]1c1ccco1	584952722	WKJJGIFKHWQCGW-ZDUSSCGKSA-N	303.098	1.076	50	20	DDGD	
COCCN(C)NC(=O)c1nn(-c2cc(C)ccc2F)cc1O	837628483	YPLZXXIVDCRLTM-UHFFFAOYSA-N	322.340	1.248	50	20	DDGD	
COc1ccc(COCCC(=O)NNC(=O)C2CCC2)cc1	736075478	AQVOUTYCBLFSBC-UHFFFAOYSA-N	306.362	1.549	50	20	DDGD	
COC(=O)[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H]2Br)[C@H]1C	907649171	AOGFMBJAAMTSMR-KIKITERTSA-N	304.184	1.570	50	20	DDGD	
C[C@H]1CCC[C@H](OCC(=O)NNc2ccc(C(=O)O)cn2)C1	833609790	SMABRKOAXTZVMQ-JQWIXIFHSA-N	307.350	1.818	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2	837652680	DUCILJKSYKXNAN-MVWJERBFSA-N	303.318	1.962	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NC[C@@H]2CCC=CO2)ccc1F	838567718	VDKCBBBWNLMONS-NSHDSACASA-N	323.324	1.931	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)N[C@@H]1C[C@H]1c1ccc(F)cc1	836431985	WJHMSXZTFMSALT-BFHYXJOUSA-N	321.352	1.581	50	20	DDGD	
CC(C)Oc1cccc(/C=C/C(=O)N2CC[C@@H](B(O)O)C2)c1	585067270	SAXSGDMRTIRPMC-PSKZRQQASA-N	303.167	1.562	50	20	DDGD	
CCCNC(=O)NNC(=O)CCC(=O)N[C@@H](C)c1ccccc1	900393636	MEUQTNQRHVTRNT-LBPRGKRZSA-N	320.393	1.384	50	20	DDGD	
CCC[C@H](C)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O	733357790	HEEFQRINQPLMOR-NSHDSACASA-N	316.361	1.775	50	20	DDGD	
Cc1ccc(NNC(=O)C[C@@H]2SC(=N)NC2=O)c(Cl)c1	836936665	PAINPIIKTRBTED-VIFPVBQESA-N	312.782	1.648	50	20	DDGD	
O=C(O)Cc1ccc(NC(=O)NNc2ccc(Cl)nn2)cc1	833775847	SNUNOQJWALMWIS-UHFFFAOYSA-N	321.724	1.906	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCCO1)c1cc(C(=O)O)c(C)nc1C	834987328	WNKODQTXRXAFLJ-AWEZNQCLSA-N	319.361	1.806	50	20	DDGD	
O=C(NNc1ccc(F)cc1)N[C@@H]1C[C@H]2CCCCN2C1=O	838746302	XMEDROMEUJCKET-CHWSQXEVSA-N	306.341	1.605	50	20	DDGD	
CSc1nc(C2CC2)nc(C)c1C(=O)NN(C)C[C@H](C)O	910173628	OHUDHINWHUYYIT-QMMMGPOBSA-N	310.423	1.342	50	20	DDGD	
C[C@@]1(C(=O)NNC(=S)NCC2CCC2)C[C@@H]1Br	912110606	QCQKYIGXHNQYRY-GZMMTYOYSA-N	320.256	1.455	50	20	DDGD	
C[C@H]1CN(C[C@@H](C)C(=O)NN=C2CCSCC2)C[C@@H](C)O1	916370887	GTXHEEBYCOXZPP-UPJWGTAASA-N	313.467	1.731	50	20	DDGD	
Cc1cc(C(=O)NN(C)C[C@H](C)O)c(C)n1-c1nccs1	910174513	USWOXEQHAFUNHH-JTQLQIEISA-N	308.407	1.508	50	20	DDGD	
COCCN(C)NC(=O)c1cnc(Oc2ccccc2)cn1	837627408	UMQNSHDEFUBBMR-UHFFFAOYSA-N	302.334	1.492	50	20	DDGD	
C[C@@H]1CC[C@@H](CNC(=O)NNC(=O)c2ccc(Cl)cc2)O1	838743824	ZRUYEKNUZQEIFU-SKDRFNHKSA-N	311.769	1.852	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2)c1cccc2ncccc12	837400100	FKOVNZWAYYVAJD-GDLCADMTSA-N	323.352	1.611	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)n(C(C)(C)C)n1	831330469	DLHWUQFEKCMOLB-QWRGUYRKSA-N	323.397	1.524	50	20	DDGD	
CC(=NNC(=O)O)[C@H]1CN(C(=O)OCc2ccccc2)CCO1	833384225	FPPFDKRPBOZCTG-CYBMUJFWSA-N	321.333	1.668	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1ccc(F)c(Cl)c1	748136120	CAEAROOAIAPZFK-UHFFFAOYSA-N	311.744	1.942	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2n[nH]c(C)c2[N+](=O)[O-])n1	748335687	QGPRWTLVUONHIS-UHFFFAOYSA-N	311.689	1.135	50	20	DDGD	
Cc1ncc2n1C[C@H](C(=O)NNC(=O)Nc1ccccc1)CC2	846093842	JHDZWFSHBKMIMX-GFCCVEGCSA-N	313.361	1.607	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNc1cc(O)nc2ncccc12	913989892	SZGCZOCKAPRITI-NXEZZACHSA-N	304.350	1.697	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(F)cc(Cl)c1O	843978995	LQCHJUOHTVGXQX-SVRRBLITSA-N	316.716	1.371	50	20	DDGD	
CCONC(=O)CNC(=O)CCCC[C@@H]1CCSS1	846499419	QIRYCFAIICSBJC-SNVBAGLBSA-N	306.453	1.884	50	20	DDGD	
O=C(NNC(=O)[C@H]1OCCc2ccccc21)c1ccccc1F	749604831	LLAPTWHRVBVFPQ-HNNXBMFYSA-N	314.316	1.901	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCCC[C@H]1CCCN1	842006853	VXZFWTSBEZUMSY-CQSZACIVSA-N	322.384	1.231	50	20	DDGD	
Cc1cc(C(=O)NN(C)C[C@H](C)O)nn1-c1cccc(Cl)c1	910151269	BRMYFFPZGFLPHC-NSHDSACASA-N	322.796	1.792	50	20	DDGD	
CO[C@](C)(C1CC1)[C@@H](C)NC(=O)NNC(=O)Cc1ccncc1	840422489	BXOXBUCXBYGHKF-BZNIZROVSA-N	320.393	1.158	50	20	DDGD	
COc1ccccc1[C@H](C)CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843647239	LQZBJSWVKVDTMP-MBNYWOFBSA-N	320.389	1.761	50	20	DDGD	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NNC(=O)c1ncccn1	841350897	UUPYYEOAAWTNBU-XQQFMLRXSA-N	320.393	1.612	50	20	DDGD	
Cc1ncc(C(=O)NNc2ccc(OC(F)F)cc2)c(N)n1	749280960	IOMIAFWJKYVTPF-UHFFFAOYSA-N	309.276	1.726	50	20	DDGD	
Cc1cc(CC(=O)NNc2ccc(C(F)(F)F)nn2)on1	845882942	QLJWRSIBGIDHJW-UHFFFAOYSA-N	301.228	1.478	50	20	DDGD	
O=C(NN=Cc1csnn1)c1cc(Br)c[nH]1	915957444	YYTKIFFSUSMHNL-UHFFFAOYSA-N	300.141	1.393	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CS[C@@H](C)C2)cc1	840415209	FIJFCMISRSJOIW-NWDGAFQWSA-N	323.418	1.598	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCCOCCO)cc1	740204983	NBCNVIYSGLGOPV-KAMYIIQDSA-N	305.330	1.544	50	20	DDGD	
CN(C)c1nccc(NNC(=O)CCCOc2ccccc2)n1	740112424	IDFLVBGZTQZOKS-UHFFFAOYSA-N	315.377	1.845	50	20	DDGD	
C[C@@H](NC(=O)NNc1c(F)cc(F)cc1F)C(=O)N(C)C	914169392	SDGOMOYOWSNSJL-ZCFIWIBFSA-N	304.272	1.207	50	20	DDGD	
Cc1ccoc1C=NNC(=O)Cn1nnc(-c2ccccc2)n1	743423720	VDNDOLHOUNZJDK-UHFFFAOYSA-N	310.317	1.392	50	20	DDGD	
Cc1cc(N(C)C)cc(C)c1NC(=O)NNC(=O)CCCN	841156177	GPLMLKGWQKRPQY-UHFFFAOYSA-N	307.398	1.261	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)C2(C)CCCC2)c1	744532885	DDTQBIPMDXYHEK-UHFFFAOYSA-N	318.373	1.880	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)N[C@@H](C)CN)cc2C1	841981711	DPUKTLQBKNSIGK-IUCAKERBSA-N	310.423	1.164	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)Cc1nc2ncccn2n1	748571510	BFGWDBUTFXFLLP-UHFFFAOYSA-N	300.297	1.258	50	20	DDGD	
Cc1ccc(-c2nn(C)cc2C=NNC(=O)[C@@H]2CCO[C@@H]2C)o1	842549534	NUDZWZFDYFVSDN-DGCLKSJQSA-N	316.361	1.864	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1ccc(C(=O)O)c(F)c1	842560045	DTGHUKKUPDTUIE-KOLCDFICSA-N	308.309	1.789	50	20	DDGD	
O=C(NNc1nccc(N2CCOCC2)n1)[C@@H]1C[C@H]1C1CCC1	846638544	IRTSCCYJWIYREK-QWHCGFSZSA-N	317.393	1.193	50	20	DDGD	
COC(=O)c1coc(C=NNC(=O)c2cccc(N(C)C)c2)c1	758080372	CHOIGKOOBPWGKB-UHFFFAOYSA-N	315.329	1.896	50	20	DDGD	
CC(Cc1cccc(F)c1)=NNC(=O)[C@H]1CCS(=O)(=O)C1	759196082	HDCAZBWMDLVNHQ-LBPRGKRZSA-N	312.366	1.295	50	20	DDGD	
COc1cc(C)cc(C(=O)NNC(=S)NCC2CCC2)c1O	855089217	HWCTUMODJSNRNQ-UHFFFAOYSA-N	323.418	1.618	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1conc1C(F)(F)F	854683338	OJVCHMXFFWUUOE-ZETCQYMHSA-N	307.228	1.024	50	20	DDGD	
C=CCCSCCNC(=O)NNC(=O)N=c1cc[nH]cc1	852488017	SANNKFJGOUUWNJ-UHFFFAOYSA-N	309.395	1.149	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(CCC(F)(F)F)cc1	757615334	YECQHYMCSTZUBQ-UHFFFAOYSA-N	319.283	1.981	50	20	DDGD	
CCc1cnc(NC(=O)C(=O)NNc2ccc(OC)cn2)s1	756174464	FCKRUZBGUWQLQL-UHFFFAOYSA-N	321.362	1.191	50	20	DDGD	
COc1ccc(C(=O)NNc2cc(C(F)(F)F)ccn2)nn1	857513735	JPDSBKAJDMSGEX-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
C[C@]1(CNC(=O)NCC2(CO)CCC2)C[C@H]1Br	856954417	YKRIDMPLGULGNX-MWLCHTKSSA-N	305.216	1.622	50	20	DDGD	
N#Cc1ccccc1C=NNC(=O)c1nnc(O)c2ccccc12	755546472	SOWYNRNWWJHGOM-UHFFFAOYSA-N	317.308	1.971	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](C)[C@H]1CCO	852458311	FBPQHHOLKSBGEC-HZSPNIEDSA-N	313.442	1.051	50	20	DDGD	
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NN(C)C(=S)NC	854922818	RFVHFHHLHDRABQ-NSHDSACASA-N	324.406	1.631	50	20	DDGD	
COc1ccc(F)cc1C(=O)NNC(=O)OCC(F)(F)F	856025549	SYEMHJRTJKJQNN-UHFFFAOYSA-N	310.203	1.768	50	20	DDGD	
CCC(=O)N1CCC[C@H](C(=O)NNc2ccnc(Cl)c2)C1	855469157	VOWKCNBBVJMBJH-JTQLQIEISA-N	310.785	1.827	50	20	DDGD	
O=C(NN=Cc1cnc2n1CCC2)[C@@H]1COc2ccccc2O1	853260993	AXJCHWMMYFBZHP-AWEZNQCLSA-N	312.329	1.119	50	20	DDGD	
Cc1occc(=O)c1OCC(=O)OC[C@H](C)CBr	923951276	SXTKXIUEVYSVTI-MRVPVSSYSA-N	319.151	1.901	50	20	DDGD	
O=C(CCn1cccn1)NNC(=S)NCCc1cccs1	753018665	XUDLZNWWDLMTJY-UHFFFAOYSA-N	323.447	1.073	50	20	DDGD	
O=S(=O)(CCCCCl)NC[C@H]1CCCN1CC(F)F	859293078	BINNEGSMKGWNMW-SNVBAGLBSA-N	318.817	1.654	50	20	DDGD	
C[C@H]1OCC[C@@H]1SCC(=O)NNC(=O)c1cccc(C#N)c1	754720482	QXTUIHZWMZHFFC-MFKMUULPSA-N	319.386	1.230	50	20	DDGD	
Cc1cc(F)ccc1C=NNC(=O)CNC(=O)c1ccco1	750936922	KHHRZZQOSHVXNU-UHFFFAOYSA-N	303.293	1.607	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H](C)c1ccccn1	854284948	CHARDMHCQDJPFF-NSHDSACASA-N	310.423	1.059	50	20	DDGD	
COC(=O)c1cnc(C(=O)NNc2ccc(Cl)cc2)cn1	758385334	POFDYGIIQIXNDA-UHFFFAOYSA-N	306.709	1.674	50	20	DDGD	
N#C/C(=C/c1cn(CC(=O)O)nn1)C(=O)c1ccccc1F	759075185	HFCUJEAAFRREMI-UITAMQMPSA-N	300.249	1.292	50	20	DDGD	
CCCc1nc(C(=O)NNc2nc(-c3cccnc3)no2)co1	759860245	ZLIYDGWMUHQKAB-UHFFFAOYSA-N	314.305	1.829	50	20	DDGD	
C=CCn1cc(CNS(=O)(=O)CC(C)(C)CCl)nn1	867429000	SZKLSUHBWDYIEC-UHFFFAOYSA-N	306.819	1.149	50	20	DDGD	
Cc1ccc(OC(F)F)c(C=NNC(=O)[C@H]2CCC(=O)N2)c1	863149083	QOUNWUQCQXIYNE-SNVBAGLBSA-N	311.288	1.325	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccc(OC(C)(C)C)cc1	869909580	BWSMNZHOHKCAIR-UHFFFAOYSA-N	324.377	1.288	50	20	DDGD	
O=C(Cc1csc2nccn12)NNC(=O)NC1CCCCC1	764524277	LCLMWYZEUPRXBM-UHFFFAOYSA-N	321.406	1.601	50	20	DDGD	
O=S(=O)(CBr)NCCC[C@H]1CCCCO1	760619434	WLKOINJZHKHZOF-SECBINFHSA-N	300.218	1.608	50	20	DDGD	
C[C@@H](Cc1cccnc1)NCC(=O)NNC(=O)c1cccs1	934236625	QUDOQJAHUWWERP-NSHDSACASA-N	318.402	1.125	50	20	DDGD	
O=C(CCOCC(F)(F)F)NNc1nc2ccccc2[nH]1	768513663	WTYDIRSNNWTVMD-UHFFFAOYSA-N	302.256	1.975	50	20	DDGD	
CC(C)C1(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)COC1	935858656	ZVBNUGXNKONWKG-UHFFFAOYSA-N	313.304	1.790	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ncn(-c2ccccc2)n1	768280191	TZPICMRCOAYMHY-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)C1(F)CCOCC1	865016365	FTNPGCYLTAKBKR-UHFFFAOYSA-N	315.370	1.140	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cnc(-c2cccnc2)s1	761408823	YDQDWFRSAFWVBC-UHFFFAOYSA-N	305.363	1.558	50	20	DDGD	
Cc1nc(CCNC(=O)NNC(=O)C2CCCC2)sc1C	764374119	NYTLTIIEOFEEKJ-UHFFFAOYSA-N	310.423	1.823	50	20	DDGD	
CCN(CC(=O)N(C)C)/C(=C/C#N)c1cccc([N+](=O)[O-])c1	764185072	CQIXDIOAVRFORF-RIYZIHGNSA-N	302.334	1.869	50	20	DDGD	
Cc1cc(NNC(=O)c2cn(C)c(=O)c3ccccc23)nc(C)n1	760833372	XOHZDJHHYFLPLZ-UHFFFAOYSA-N	323.356	1.702	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)C1(CCOCc2ccccc2)CC1	768254606	AQKYHJHMSXUVJT-UHFFFAOYSA-N	320.389	1.292	50	20	DDGD	
CCC[C@H](CNC(=O)NNc1ncc(Cl)cn1)OCC	875782169	KPBSVPGXLSEJBN-SNVBAGLBSA-N	301.778	1.961	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C2CC(F)(F)C2)nc1C	778428251	KURYTOLZVLGLAO-UHFFFAOYSA-N	314.292	1.450	50	20	DDGD	
CC(C)CC[C@@H](N)C(=O)NNc1ncc(Br)cn1	876955330	WBGSLLHNVFMLPA-SECBINFHSA-N	316.203	1.446	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)c2ccc(C#N)cc2)sc1C	770330605	XMWUIBBIMBHSKK-UHFFFAOYSA-N	300.343	1.706	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccc(-c3nc[nH]n3)cc2)n1	771736399	KTLDMRVQXODDJA-UHFFFAOYSA-N	324.348	1.085	50	20	DDGD	
CCOc1nc(C(=O)NNc2cc(C#N)cc(Cl)n2)co1	773570948	VKCIKAKQEICUCJ-UHFFFAOYSA-N	307.697	1.750	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)c2nc3ccccc3s2)CCO1	874914057	JLQDMBLZAPAUPB-NXEZZACHSA-N	319.386	1.872	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CCCc1nc(C)no1	777772416	WQEWHXVTJRHJGA-UHFFFAOYSA-N	318.333	1.631	50	20	DDGD	
O=C(O)CCCNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	776593298	GDHODTVIWFNFDB-YGOYTEALSA-N	304.184	1.921	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1ccc(C#N)c(F)c1	776772488	OKJHYIBBQJWZQE-UHFFFAOYSA-N	318.352	1.842	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)N1CCCCCC1	883100965	ROIVJJXDRLDXQE-UHFFFAOYSA-N	314.386	1.128	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)CC)C1	887142889	DKGSXZNMWKMKJY-UONOGXRCSA-N	321.421	1.222	50	20	DDGD	
O=C(CNS(=O)(=O)CCCCl)c1c(F)cccc1F	882275138	NWGDFPQPKMQCQI-UHFFFAOYSA-N	311.737	1.696	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@H](F)C(C)C)cc1OC	784144587	IVLXWGHEMYSVMH-ZDUSSCGKSA-N	312.341	1.849	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1Cc2cc(C)c(C)cc2O1	887144769	ZCXHKQNJTQGJMI-OAHLLOKOSA-N	300.358	1.558	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC([C@@H]2CCCO2)CC1	784362304	PHNGMJVGZHNCNN-ZDUSSCGKSA-N	311.426	1.071	50	20	DDGD	
CCOCCC1(CNS(=O)(=O)CBr)CCC1	782473143	VDOIIUXCVITYEX-UHFFFAOYSA-N	314.245	1.855	50	20	DDGD	
Cl/C(=C/CBr)n1cc(CN2CCOCC2)nn1	881310171	DBUBLEHMZJBMJU-LAFDYMOFSA-N	321.606	1.542	50	20	DDGD	
CN(C)Cc1ccc(C(=O)NNc2ncncc2Cl)cc1	781836545	ONEVDFLUUIFMBK-UHFFFAOYSA-N	305.769	1.949	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C1CCOCC1)[C@@H](C)c1ccccc1	883489957	YXOZJVYMMSZSIG-OLZOCXBDSA-N	319.405	1.936	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNC(=O)C12CCC(CC1)C2	783952612	DZZJAKZLDVSLIZ-UHFFFAOYSA-N	321.402	1.206	50	20	DDGD	
COC(=O)COc1ccc(C=NNC(=O)C2CCCC2)cc1	782225486	RATPCJGRONTTRO-UHFFFAOYSA-N	304.346	1.879	50	20	DDGD	
N[C@@](C(=O)NNC(=O)C1CC1)(c1cccc(F)c1)C(F)(F)F	788262579	FWNBBHAFQWBYTM-GFCCVEGCSA-N	319.258	1.099	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cccn2c(O)nnc12	780993559	OHPMVQIUVFOJNM-UHFFFAOYSA-N	323.234	1.609	50	20	DDGD	
CO[C@H](C(=O)NNc1nnc(-c2ccccn2)s1)C(C)C	788566936	WBVYKXXZHOBQCW-JTQLQIEISA-N	307.379	1.714	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1coc(C2CC2)n1	786164725	GWHVKAXHSPMINR-SECBINFHSA-N	323.349	1.291	50	20	DDGD	
C=CCN1CCC(NC(=O)NNc2ncncc2Cl)CC1	780990871	IGDANTPSAVXOIT-UHFFFAOYSA-N	310.789	1.407	50	20	DDGD	
CN(NC(=O)c1cc(Cl)cc(F)c1Br)C(N)=O	786505691	OYUULUJGQOHVRB-UHFFFAOYSA-N	324.537	1.897	50	20	DDGD	
CO[C@]1(C)C[C@@H](NC(=O)NNc2ncncc2Cl)C1(C)C	780998463	LEJGFARTFNHDNC-NOZJJQNGSA-N	313.789	1.960	50	20	DDGD	
CN(C)Cc1cnc(/C=C(/C#N)C(=O)Nc2ccn(C)n2)s1	794702399	OEMLSBPMLRRQKO-POHAHGRESA-N	316.390	1.484	50	20	DDGD	
Cc1ccc(-n2[nH]c(C(=O)NNc3ncccc3C)cc2=O)cc1	791219878	YXJIDHAKFYGWFT-UHFFFAOYSA-N	323.356	1.934	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC(=O)N(CC2CC2)C1	790266237	FYIUYSYOFBLAED-NSHDSACASA-N	317.227	1.834	50	20	DDGD	
COc1ccc(C(=O)NNc2nc3ccccn3n2)cc1F	791247848	BVXJIJKVJQPPLO-UHFFFAOYSA-N	301.281	1.634	50	20	DDGD	
COC(=O)C[C@H]1CCC(=NNC(=O)c2ccc(N)cc2)[C@H]1C	794453126	KSIPCYCKQIAVPI-CMPLNLGQSA-N	303.362	1.964	50	20	DDGD	
COc1cc2c(cc1OC)C(=NNC(=O)c1cnn(C)c1)CC2	794514207	HYWDQFGROKFCSW-UHFFFAOYSA-N	314.345	1.518	50	20	DDGD	
CC[C@@H]1CC[C@@H](C)CC1=NNC(=O)[C@H](C)NS(C)(=O)=O	797402846	QGTMEZXYRYVKGI-OUAUKWLOSA-N	303.428	1.243	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cccc2c[nH]nc12	798313673	MAUKLMCOWCDOHZ-UHFFFAOYSA-N	301.228	1.069	50	20	DDGD	
CCOC(=O)[C@H](CC)S[C@H](C)C(=O)NNC(=O)CC(C)C	794429407	WAIMKOGGMRCNKW-MNOVXSKESA-N	318.439	1.643	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCCC1CCOCC1	798737726	YUYKJEUWOAGMLV-LLVKDONJSA-N	314.382	1.072	50	20	DDGD	
COCCN(C)c1ccc(C=NNC(=O)CC(F)(F)F)cn1	790156872	GTHIDENDLCNOBT-UHFFFAOYSA-N	318.299	1.567	50	20	DDGD	
Cc1cccnc1NNC(=O)Cc1csc(-c2nc[nH]n2)n1	791216688	CHFUXZDTOXUXSD-UHFFFAOYSA-N	315.362	1.317	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)[C@H]1CCC(F)(F)C1	795084910	IPXOIVLHIGSDLI-NSHDSACASA-N	312.316	1.908	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)CC1OCCO1	792900772	PNNGBFVSRXFHKV-UHFFFAOYSA-N	314.341	1.293	50	20	DDGD	
Cc1nc(C)c(C(=O)NNc2ccccc2S(C)(=O)=O)o1	1319800326	CTWWZIIALLUVPV-UHFFFAOYSA-N	309.347	1.452	50	20	DDGD	
CCCCNC(=S)NNC(=O)CCN1CCC(C)CC1	1328384528	OMJNMQJNLKBSLN-UHFFFAOYSA-N	300.472	1.404	50	20	DDGD	
CC1(CCNC(=O)C(=O)NC[C@@]2(C)C[C@@H]2Br)CC1	1329538986	JIBODAJJOBOAPK-TVQRCGJNSA-N	317.227	1.583	50	20	DDGD	
Cc1cc(Br)cc(C(=O)N2CC[C@H](B(O)O)C2)c1	585064707	ISZHXNSNWNFUJY-JTQLQIEISA-N	311.972	1.446	50	20	DDGD	
O=C(c1c(F)cccc1Br)N1CC[C@H](B(O)O)C1	585070945	IYXUQFDTJGKRSL-ZETCQYMHSA-N	315.935	1.277	50	20	DDGD	
C[C@H]1COCCN1CCNC(=O)NNc1ccccc1Cl	1326743541	AVJOHVMOPLQLMK-NSHDSACASA-N	312.801	1.687	50	20	DDGD	
Cc1nc([C@H](C)NC(=O)NNc2ncnc3ccsc23)no1	1258382768	KNCXRIUQPVCWLC-LURJTMIESA-N	319.350	1.770	50	20	DDGD	
CO[C@@]1(C(=O)NNC(=O)c2cc(C)cs2)CCSC1	1331484711	VTVFRUAQYGEIJH-LBPRGKRZSA-N	300.405	1.340	50	20	DDGD	
CCOc1cc(C=NNC(=O)CCO)ccc1OCC(C)C	1330900791	DWXUWWOZENDIPH-UHFFFAOYSA-N	308.378	1.953	50	20	DDGD	
O=C(NNc1ncccn1)c1ccn(CCC(F)(F)F)n1	1263705661	DMWFNKUXSZLZJD-UHFFFAOYSA-N	300.244	1.382	50	20	DDGD	
CC[C@H]1C[C@H](C(=O)NNC(=O)c2ccc(OC)cc2)CCO1	1341996157	ITJDMDLUGHEGGT-OLZOCXBDSA-N	306.362	1.661	50	20	DDGD	
O=C(/C=C\C1CCCC1)NNC(=O)c1n[nH]c2c1CCCC2	1346070353	JHBWDFIZXHLNFX-KTKRTIGZSA-N	302.378	1.796	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)C[C@H]1C=CS(=O)(=O)C1	1349643857	GKPKCIOYJKUSRK-SECBINFHSA-N	314.338	1.226	50	20	DDGD	
C[C@@H]1COc2ccccc2CN1C(=O)NNC(=O)c1cn[nH]c1	1261791769	AOPDWHZCTGYBSC-SNVBAGLBSA-N	315.333	1.047	50	20	DDGD	
CS(=O)(=O)N1CCCN(C(=O)C2CCC(Cl)CC2)CC1	1346260664	RPYLYSYBZYNLIQ-UHFFFAOYSA-N	322.858	1.278	50	20	DDGD	
Cc1cccc2sc(NNC(=O)NC[C@H]3CCN3C)nc12	1357954839	WWIMHICIXOSLEI-SNVBAGLBSA-N	305.407	1.935	50	20	DDGD	
O=C(CCCC1CC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	1606513037	NILYVRLRXFMZDY-UHFFFAOYSA-N	314.349	1.208	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2cccc(C(=O)O)c2)c2ncnn21	1604676112	KAJHOKTYBWWBIQ-GZMMTYOYSA-N	316.321	1.308	50	20	DDGD	
O=C(COc1cccc(-c2nn[nH]n2)c1)NCC(Cl)Cl	1606575660	LHWCOZPTVTZVBB-UHFFFAOYSA-N	316.148	1.165	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2c(C)coc2CC(=O)O)n1	1600705429	LXEZPTLQIBOISC-UHFFFAOYSA-N	324.724	1.724	50	20	DDGD	
Cn1cc([C@@H]2C[C@H]2C(=O)NNc2ccc(F)c(C(=O)O)c2)cn1	1600969229	BWBMUKYHOKSGQZ-WDEREUQCSA-N	318.308	1.504	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1cnc(-c2ccccc2)s1	1610783218	KFGWFBQWMDIJKA-UHFFFAOYSA-N	304.331	1.528	50	20	DDGD	
COC(C)(C)CC=NNC(=O)[C@H]1CCCO[C@H]1c1ccnn1C	1549319837	LWQSRQDTBPBBCT-GXTWGEPZSA-N	322.409	1.805	50	20	DDGD	
Cn1cc([C@H]2OCCC[C@@H]2C=NNC(=O)CC(F)(F)F)cn1	1552447280	QVWAXZHBBQEGLH-SKDRFNHKSA-N	318.299	1.942	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@@H]2C=NNC(=O)[C@H]2CCCO2)cn1	1552455528	YYORSGSMWLSMOC-MRVWCRGKSA-N	306.366	1.262	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@@H]2CCCNCC2)cc1	1578820838	KRXPMBZZNUSDAQ-CYBMUJFWSA-N	320.393	1.170	50	20	DDGD	
CCN[C@@H](C)C(=O)NNC(=S)Nc1cccc(Cl)c1	1577810586	LQRKWYAXYPZRKV-QMMMGPOBSA-N	300.815	1.656	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1ccc(C)c(C(=O)O)c1)C(C)C	1589099920	CZRLZADEZNYSIO-CYBMUJFWSA-N	307.350	1.297	50	20	DDGD	
N[C@@H]1CCC[C@H]1CC(=O)NNc1cc(Br)ncn1	1580378667	SMVXCYDFXAFFLJ-JGVFFNPUSA-N	314.187	1.200	50	20	DDGD	
NCc1ccccc1C(=O)NNC(=O)Cc1ccc(Cl)cc1	1580344025	OBXYIEXTRABYEF-UHFFFAOYSA-N	317.776	1.802	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccccc1C(=O)O)C1CC1	1593188844	BLJSLYKAIHHQLF-QMMMGPOBSA-N	307.375	1.292	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)O)C2)cc1	1597126125	WAEPFFKHNIAKDC-XAGWURHQSA-N	319.361	1.965	50	20	DDGD	
C[C@@H]1Oc2c(ccc(Cl)c2Cl)C1=NNC(=O)C(=O)O	1594651513	SFTWEHLCGBMVCF-BYPYZUCNSA-N	303.101	1.679	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNc1cccc(C(=O)O)c1	1597728970	ARILLYJUEZBNEP-UHFFFAOYSA-N	300.318	1.803	50	20	DDGD	
CO[C@H](C=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C1CC1	1591325996	FSSBDZZGNLRGBN-GFCCVEGCSA-N	300.322	1.007	50	20	DDGD	
Cc1[nH]c(C=O)cc1C(=O)NNc1ccc(C(=O)O)c(F)c1	1599960914	ZWQTXHKECXOYPT-UHFFFAOYSA-N	305.265	1.730	50	20	DDGD	
COc1ccnc(NNC(=O)NCCCCCCC(=O)O)n1	1599722760	QWLHCXGGORDLGT-UHFFFAOYSA-N	311.342	1.146	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@](CC)(C(=O)O)c1ccccc1	1596864500	SYYMAZNCPJSDLH-MOJYJUKOSA-N	316.357	1.979	50	20	DDGD	
C[C@H](CCN(C)C)NC(=O)NNc1ccc(CC(=O)O)cc1	1592513998	NAXQHNIWDCEHNI-LLVKDONJSA-N	308.382	1.280	50	20	DDGD	
O=C(NN=Cc1c(C(=O)O)ccc2c1OCO2)c1nccs1	1776109284	CAPWELNBZWPPBP-UHFFFAOYSA-N	319.298	1.334	50	20	DDGD	
COc1ccc(O)c(C=NNC(=O)c2cccc(C(=O)O)c2)c1	1776094911	SLKJZVDROUYBLW-UHFFFAOYSA-N	314.297	1.863	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1cccc(CC(=O)O)c1	1776120857	XLPYKUCDHBIEQT-GDNBJRDFSA-N	316.357	1.763	50	20	DDGD	
O=C(CCc1ncc(-c2ccccc2F)o1)NNC(=O)C1CC1	14290397	NKGIMBTYQSWCLE-UHFFFAOYSA-N	317.320	1.971	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)COc2ccc(C)cc2)c1	14792004	JSWFXYSDDAITKR-UHFFFAOYSA-N	314.341	1.844	50	20	DDGD	
O=C(CN1CCSC1=O)NNC(=O)c1cccc(Cl)c1	17248439	YWKLJJMGHVNTRF-UHFFFAOYSA-N	313.766	1.270	50	20	DDGD	
COc1ccnc(NNC(=O)C(F)(F)c2ccc(F)cc2)n1	150210420	ZDLHNSNBKJSPJU-UHFFFAOYSA-N	312.251	1.859	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2cc([N+](=O)[O-])cnc2O)c1	150780374	LLIGBNBJAIUTON-UHFFFAOYSA-N	306.253	1.900	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1C	161222192	QORWDLWNSSGDQB-UHFFFAOYSA-N	303.240	1.120	50	20	DDGD	
CNC(=O)/C(C#N)=C/c1cc2c(cc1Br)OCO2	7209992	UJJPOHZUWLQKBZ-KRXBUXKQSA-N	309.119	1.831	50	20	DDGD	
O=C(NNC(=O)c1cccc(-n2ccnn2)c1)c1ccccc1	157569150	PSFFQCBKKFUHMK-UHFFFAOYSA-N	307.313	1.342	50	20	DDGD	
CSSCCNS(=O)(=O)c1cc(C(=O)O)n(C)c1	284068296	QIKVXHBYWKUMMX-UHFFFAOYSA-N	310.422	1.013	50	20	DDGD	
CCN1C[C@H](NS(=O)(=O)c2ccc(CCl)cc2)CC1=O	391481341	STFTWMPANFKUSW-LLVKDONJSA-N	316.810	1.325	50	20	DDGD	
CSSCCNC[C@@H](O)c1ccc(S(C)(=O)=O)cc1	397780311	OOBYWTCFQOUOGB-GFCCVEGCSA-N	321.489	1.724	50	20	DDGD	
C=CCNC(=S)NNC(=O)COc1ccc(F)c(Cl)c1	6819678	WRJOTMLEEQBVRP-UHFFFAOYSA-N	317.773	1.539	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H](C(C)C)N2CCCCC2)n1	104246573	UUVNGZBKLBKCSD-ZDUSSCGKSA-N	307.398	1.439	50	20	DDGD	
C[C@H]1COCCN1C(=O)NNC(=O)CCCc1ccccc1	103516687	KXTOPGNHBQSERI-ZDUSSCGKSA-N	305.378	1.471	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1ccccc1Br	106417613	LZLABLCCILCXRF-UHFFFAOYSA-N	323.150	1.176	50	20	DDGD	
C[C@H](Oc1cccnc1)C(=O)NNC(=O)c1c[nH]c2ccccc12	117744947	BCOZEPZTZIHECX-NSHDSACASA-N	324.340	1.791	50	20	DDGD	
CC(=O)Nc1ccc(CCNC(=O)NNc2ncccn2)cc1	103619413	ULCSLNWCFBKIHA-UHFFFAOYSA-N	314.349	1.304	50	20	DDGD	
COc1ccnc(C(=O)NNC(=O)c2cccc(Cl)c2)c1	172217379	QWJNBLNZAKLVOU-UHFFFAOYSA-N	305.721	1.818	50	20	DDGD	
CCn1cc(NC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)cn1	27924598	USQBIKVREKBIKL-WLRTZDKTSA-N	308.345	1.967	50	20	DDGD	
Cc1[nH]c(-c2ccccn2)n/c(=N/NC(=O)C(C)(C)C#N)c1C	114891866	LJPCXWXXWLDPIV-UHFFFAOYSA-N	310.361	1.570	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@H](c2ccn[nH]2)C1	111204019	QLLSIVNCEIEZHB-STQMWFEESA-N	321.425	1.171	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2cnn(C)c2)cc1Cl	117952041	BHUVDUDICQWONS-UHFFFAOYSA-N	307.741	1.848	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Cc1cn2ccccc2n1	67432973	JPNWFFGUWDCEPS-UHFFFAOYSA-N	324.340	1.347	50	20	DDGD	
CN(CCCOc1ccc(F)cc1)CC(=O)NNC(=O)C1CC1	112976917	SKUNXCGRTQQWPD-UHFFFAOYSA-N	323.368	1.084	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)Cc1ccncc1)N1CCCCC1	176774484	PHMOGDDFBFUIRF-INIZCTEOSA-N	318.421	1.282	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCC(=O)Nc1ccccc1	113391601	QZCGRNSAEVQLAW-UHFFFAOYSA-N	306.366	1.392	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2cc(Cl)ccn2)c1	60776479	DGXAYIDRWZZGOC-UHFFFAOYSA-N	319.748	1.883	50	20	DDGD	
CO[C@@H](C)CC(=O)N/N=c1/nc(-c2ccccn2)[nH]c(C)c1C	114891159	BQBQTEJNHMKODD-JTQLQIEISA-N	315.377	1.445	50	20	DDGD	
C=CC1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)CC1	111257286	VXRQRXRRLPDNLA-UHFFFAOYSA-N	305.353	1.485	50	20	DDGD	
CC[C@@H](Oc1ccccc1C)C(=O)NNC(=O)c1ccc[nH]1	175777803	AHIBZONLYMKLOI-CYBMUJFWSA-N	301.346	1.942	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc(N2CCCC2)nn1	171482515	HRNLJJKVZAWTCX-UHFFFAOYSA-N	305.382	1.274	50	20	DDGD	
Cc1c(C(=O)NNC(=O)N(C)C)nnn1-c1ccccc1Cl	171535407	KQBZCTCDIPQGIM-UHFFFAOYSA-N	322.756	1.145	50	20	DDGD	
Cc1nc(CC(=O)NNC(=O)NC2CCCCC2)c(C)s1	178121836	QLRWESWESKDMMP-UHFFFAOYSA-N	310.423	1.966	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](C(=O)NNc2ncccc2[N+](=O)[O-])C1(C)C	121684504	CQDPWHMPGRWCBM-VHSXEESVSA-N	306.322	1.684	50	20	DDGD	
COc1ccc(C(=O)CCCC(=O)NNC(=O)NC2CC2)cc1	64427479	SCNHNKDQKHLFIY-UHFFFAOYSA-N	319.361	1.541	50	20	DDGD	
COc1ccc(C(=O)NNc2cc(C)nc(C)n2)c(OC)c1	129091136	HFAQREVCABLOAJ-UHFFFAOYSA-N	302.334	1.868	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cnc2ccccc2c1	124829684	VKQXDGDIZPZEOJ-SNVBAGLBSA-N	314.345	1.367	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cn(C)c3ccccc23)n(C)n1	126060481	AOMARUMMOITIKH-UHFFFAOYSA-N	311.345	1.295	50	20	DDGD	
NC(=O)COc1ccc(C(=O)NNc2cccc(Cl)c2)cc1	30613425	ZADGTZMSPGQXRR-UHFFFAOYSA-N	319.748	1.961	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CSCc1cscn1	124883997	RFXYRROQGLZZPT-UHFFFAOYSA-N	310.404	1.176	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CCc1nnc(C2CCCC2)o1	124544022	PXTCMBVJNOTSME-UHFFFAOYSA-N	308.382	1.853	50	20	DDGD	
CCCN(CCC)CCCNC(=O)NNC(=O)C(C)(C)C	76579640	LROPYEUFBJAODO-UHFFFAOYSA-N	300.447	1.875	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1ccncc1Cl	72912706	PTVREXDVZSIODP-UHFFFAOYSA-N	319.748	1.834	50	20	DDGD	
O=C(NNc1ccncc1)c1cc(N2CCNC2=O)ccc1F	180500345	KAOWHRGZVCIQCK-UHFFFAOYSA-N	315.308	1.507	50	20	DDGD	
COc1nccnc1NNC(=O)CCCOc1cccc(F)c1	132045491	UJBFXFCSYCEXOU-UHFFFAOYSA-N	320.324	1.927	50	20	DDGD	
Cc1cc([C@@H](C)NC(=O)NNC(=O)[C@@H]2CCCO2)c(C)s1	79336154	PSWJWRVCODOOOV-SKDRFNHKSA-N	311.407	1.935	50	20	DDGD	
O=C(NNC(=O)c1cnc([C@H]2CCCO2)s1)c1ccncc1	133519196	JPCXUTOJRHPQEV-SNVBAGLBSA-N	318.358	1.464	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C[C@H](O)c2ccc(Cl)cc2)[nH]n1	89345060	WJUAXHPFENIULF-LBPRGKRZSA-N	322.752	1.256	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCCOc1ccc(F)cc1	47008228	SXYIRAHAEYHEGJ-UHFFFAOYSA-N	313.329	1.943	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccc(C#N)cc2)c(O)c1	190660110	OVNNWKZREZIHNQ-UHFFFAOYSA-N	309.325	1.901	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cccc(OC(F)(F)F)c1	131222350	CSEYNHSEGKSJPH-JTQLQIEISA-N	318.251	1.525	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CCn2cc(C)cn2)c1	80199073	SVACGBHNSJSWTQ-UHFFFAOYSA-N	316.361	1.116	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NNC(=O)Cc1ccncc1	81027076	VSOQZBZQSODECE-UHFFFAOYSA-N	323.356	1.130	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cc1c(F)cccc1F)C1CC1	88280867	LHEPZDNYLSOSPH-QMMMGPOBSA-N	313.373	1.801	50	20	DDGD	
CC(C)C[C@H](CCO)CNC(=O)NNc1cncc(Cl)n1	85416140	DCRHMDWZTKPNBJ-JTQLQIEISA-N	315.805	1.801	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2ncccc2C)n1	145413433	DMKSIVVZUONHBG-UHFFFAOYSA-N	302.338	1.056	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H](C)OC[C@@H]2CCCO2)n1	267160307	KDUFKBGJDCAHCI-WPRPVWTQSA-N	314.773	1.466	50	20	DDGD	
C[C@H](CCc1ccco1)NC(=O)NNC(=O)Cc1cccnc1	264109241	KAKWBWABCIHSFG-GFCCVEGCSA-N	316.361	1.569	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cc(F)c(F)cc1Br	269717279	FCXUKRSQTYOLSG-UHFFFAOYSA-N	319.105	1.898	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccccc1C(F)(F)F)C1CCC1	264758469	NIDYESFTLFVGSE-UHFFFAOYSA-N	322.308	1.815	50	20	DDGD	
CCNC(=O)N(C)NC(=O)COc1ccc2c(c1)CCCC2	272666150	JAPIIXFWTCQIFR-UHFFFAOYSA-N	305.378	1.637	50	20	DDGD	
CC(C)[C@@H]1C[C@H](CC(=O)NNC(=O)Cc2cccnc2)CCO1	273172473	KTGZJFGXFIOFFL-HIFRSBDPSA-N	319.405	1.613	50	20	DDGD	
CCC(C)(C)CNC(=O)NNC(=O)COc1ccccc1F	277614225	JMIPTHYGFXOULM-UHFFFAOYSA-N	311.357	1.971	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cccc(COC)c1	276604996	RSBKWJWULNBOBZ-UHFFFAOYSA-N	324.377	1.383	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)N1CCc2c(Cl)cccc21	274053582	JLIJNWQLMWBFRL-UHFFFAOYSA-N	321.764	1.177	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)CNc1cccc(OC)c1	279943091	HDXIRVPAYGUWQY-OAHLLOKOSA-N	309.366	1.070	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCc1nnc(-c2ccsc2)o1	360128128	DONLPCIQFOSXRN-UHFFFAOYSA-N	323.378	1.423	50	20	DDGD	
CCCOc1ccc(C(=O)NN(C)C(N)=O)cc1OCCC	271240932	AAHLWJPZSODILI-UHFFFAOYSA-N	309.366	1.920	50	20	DDGD	
C[C@H]1CCCN(C(=O)C(=O)NNc2ncnc3ccsc23)C1	278473228	UGXGHJGLZOQZTP-VIFPVBQESA-N	319.390	1.393	50	20	DDGD	
COC(=O)c1coc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c1	274803357	PHNPQVMXQFEVAX-SBKJXLNCSA-N	304.302	1.268	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccccc1N1CCCC1=O	273197088	KMLZEMMYSNJOTM-UHFFFAOYSA-N	302.334	1.376	50	20	DDGD	
COc1ccsc1C(=O)NNC(=S)NCCSC	271271621	MLNOHPFARUPWAT-UHFFFAOYSA-N	305.450	1.229	50	20	DDGD	
Cn1cncc1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	277631263	YZSKHTKCYUVAKZ-UHFFFAOYSA-N	302.378	1.398	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)cc1	376769642	UUWRRSFBQNKKIB-MCIONIFRSA-N	319.361	1.024	50	20	DDGD	
O=C(CCc1ncc[nH]1)NNc1nc(C(F)(F)F)cs1	288008354	REIMIPPBOJJDGW-UHFFFAOYSA-N	305.285	1.961	50	20	DDGD	
Cn1cc2c(n1)CCC[C@H]2NS(=O)(=O)CCCCCl	282597828	JJVZNCKKRGKIHC-GFCCVEGCSA-N	305.831	1.736	50	20	DDGD	
CC(C)(O)CCNC(=O)NNc1ccc2c(O)nccc2c1	287820943	VWLXTOFXXSJVTC-UHFFFAOYSA-N	304.350	1.728	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CCNC(=O)C(C)(C)C	288818923	UWJWOMKRFFQFDU-UHFFFAOYSA-N	322.365	1.899	50	20	DDGD	
COC(=O)c1coc(S(=O)(=O)NCCSSC)c1	284695257	PHDHXRRTTVILIU-UHFFFAOYSA-N	311.406	1.356	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1OC	292441541	HNVMNLFTIWERSL-CABZTGNLSA-N	308.334	1.032	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2cccc(F)c2F)sn1	807017539	MBIMHHPNKLQICW-UHFFFAOYSA-N	312.301	1.812	50	20	DDGD	
CCN1CCO[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2C)C1	805379707	MWSFQHXNWKLMQF-CYBMUJFWSA-N	308.338	1.067	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)COc1cc(F)cc(F)c1	809971757	JPHUTYZLYVGWMN-UHFFFAOYSA-N	309.272	1.143	50	20	DDGD	
O=C1COc2cc(C(=O)NNc3ncccc3F)ccc2N1	804215491	SMUFXJDJEPBYFJ-UHFFFAOYSA-N	302.265	1.309	50	20	DDGD	
CSC1(C=NNC(=O)[C@H](C)CN2C[C@H](C)O[C@H](C)C2)CC1	800808828	RTLKYNQPAIOBHQ-UPJWGTAASA-N	313.467	1.729	50	20	DDGD	
CC(C)(Cc1ccccc1)C(=O)NNC(=O)N=c1cc[nH]cc1	802024218	LXNFAHNHMYNSDJ-UHFFFAOYSA-N	312.373	1.925	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)NC2CCCCC2)[nH]1	292246305	CWKFTAZJFPIHBQ-UHFFFAOYSA-N	308.338	1.078	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2cc(C)sn2)cc1	801105902	NGBTYKJIBVASDA-UHFFFAOYSA-N	318.358	1.160	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNc1nc(O)c2ccccc2n1	807048515	JATBCEBRLZKEEV-UHFFFAOYSA-N	304.306	1.120	50	20	DDGD	
O=C(NCCCOC(F)F)NNc1cccc([N+](=O)[O-])c1	802438817	WXMHAELESHGEAB-UHFFFAOYSA-N	304.253	1.850	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)COc1ccc(C)cc1)OC	291535798	UAEREIYDYWJBMV-LBPRGKRZSA-N	309.366	1.129	50	20	DDGD	
CC[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	294244154	NOECNEIAEHWBSF-JKOKRWQUSA-N	324.352	1.698	50	20	DDGD	
CCCC[C@@H](NC(N)=O)C(=O)NNc1ncc(F)cc1F	296814890	CKWYWKPEIYBQEJ-SECBINFHSA-N	301.297	1.030	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1C[C@H](C)CC(=O)N1)c1ccccc1	293571430	CLJHAJUNIBDFDJ-UBHSHLNASA-N	317.389	1.242	50	20	DDGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cn(CC(=O)O)nn2)cc1C	809160587	UPRORMIIHYZQEE-MLPAPPSSSA-N	310.313	1.769	50	20	DDGD	
O=C(Cn1cc(Cl)cn1)NNc1ncnc2ccsc12	807093059	IYTGERXHQFTSHC-UHFFFAOYSA-N	308.754	1.685	50	20	DDGD	
CC1(C)CC[C@@H](NC(=O)NNc2ccc(-n3ccnc3)nn2)C1	805250316	AVHZZRBDQFPBPI-LLVKDONJSA-N	315.381	1.867	50	20	DDGD	
N#Cc1cccc(NNC(=O)Nc2cccc3c2CNC3=O)c1	806749985	KPTDDZCMDDROSJ-UHFFFAOYSA-N	307.313	1.950	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2ccc(C(F)(F)F)[nH]2)CC1	807984078	GLYQYWMJPVEIQR-UHFFFAOYSA-N	303.288	1.324	50	20	DDGD	
COc1cccc(COCC(=O)NNc2cccc(F)n2)c1	804772271	DGLFWERWKQDNGI-UHFFFAOYSA-N	305.309	1.889	50	20	DDGD	
Cc1nc(O)c(Br)cc1C(=O)NN(C)C1CC1	819652384	NSPMKMLMLQULIW-UHFFFAOYSA-N	300.156	1.597	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NNc1ncncc1F	817079228	NDNRRUJDKORIPZ-JTQLQIEISA-N	309.345	1.096	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccc(F)cc1Br	816771843	CMLIJKIOGIOBTO-UHFFFAOYSA-N	314.118	1.474	50	20	DDGD	
COc1ccnc(NNC(=O)c2c(Cl)cncc2Cl)n1	814296359	UMQXDHNNWLWCAT-UHFFFAOYSA-N	314.132	1.944	50	20	DDGD	
Cc1ccc(C=NNC(=O)Cc2cc[nH]n2)c(-c2cnn(C)c2)c1	814954964	RMDLDSZJGKYEIR-UHFFFAOYSA-N	322.372	1.811	50	20	DDGD	
CO[C@H](CC(C)C)CS(=O)(=O)NNC(=O)CC(C)(C)C	817352534	WCHVHZTVKFMUNK-LLVKDONJSA-N	308.444	1.434	50	20	DDGD	
O=C1CC[C@@]2(C(=O)NNc3ccccc3Cl)SCCN12	811882749	MVRCOTBXFBOXDN-ZDUSSCGKSA-N	311.794	1.849	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=C1CCN(Cc2ccccn2)CC1	815001104	ZEWVHIMLFQHAKO-UHFFFAOYSA-N	324.388	1.672	50	20	DDGD	
Cc1ccc(CCC(=O)NNC(=O)N=c2cc[nH]cc2)s1	813574319	UDQGYRNVYGIZAU-UHFFFAOYSA-N	304.375	1.659	50	20	DDGD	
CN(C)c1cc(C(=O)NNc2cnnn2C)nc2ccccc12	816770897	PXCCOWUYYKILIL-UHFFFAOYSA-N	311.349	1.186	50	20	DDGD	
CCc1ccc([C@@H](C)CC(=O)NNC(=O)c2ccnnc2)cc1	817693921	QHTJVRFREGKXFP-LBPRGKRZSA-N	312.373	1.994	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1cnc(-c2ccccc2F)s1	816632132	VHHOSCQTRQAWSV-UHFFFAOYSA-N	304.310	1.824	50	20	DDGD	
Cc1c(C=NNC(=O)C(=O)NC(C)C)n(C)c2ccccc12	814777831	HLZMLQNIVSNGJN-UHFFFAOYSA-N	300.362	1.461	50	20	DDGD	
Cc1nnsc1C=NNC(=O)COc1ccccc1C#N	814215831	WJZNXDGTACMRNR-UHFFFAOYSA-N	301.331	1.247	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC[C@H](N2CCOCC2)CC1	819658054	HQFUZRUUHCLBBU-BUYIWHAFSA-N	307.394	1.144	50	20	DDGD	
CCN(CCO)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl	823860767	ZTHALUIAEUZISL-UHFFFAOYSA-N	301.730	1.136	50	20	DDGD	
CCc1ccc(O)c(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1	825716802	BIUUDMVCTAFLLO-UHFFFAOYSA-N	324.344	1.892	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCCOc1ccc2c(c1)CCC2	823947250	VGFLMGRDTWQBGV-ZDUSSCGKSA-N	306.406	1.678	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCC(=O)OCc1ccc(Cl)cc1	490839539	DIYOMQDDEVPDDT-ZRDIBKRKSA-N	322.748	1.943	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(Br)c(F)cc1F	823879645	QLLXQKHZCLRGLE-UHFFFAOYSA-N	323.137	1.686	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H](CO)CC(F)(F)F	491177082	UFMKKPCJHYWNLD-GULOHRGCSA-N	314.263	1.729	50	20	DDGD	
CC[C@@H](C)[C@H](C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	825052190	VQRQNDDVYKYGAH-ZJUUUORDSA-N	316.365	1.310	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC1CCN(C[C@@H]2CCOC2)CC1	490781658	BPHHBMWPSFUYMZ-BSHRGCEOSA-N	307.394	1.047	50	20	DDGD	
C[C@@H]1c2cccn2CCN1CC(=O)NNC(=O)c1cccs1	727172127	HBUVKESJSLIKCC-LLVKDONJSA-N	318.402	1.387	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCOC[C@H]2C2CCC2)cn1	491105017	PEWXQNRGGRNIED-GSHXUFRSSA-N	300.362	1.355	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H](C)CCc1cccn1C	826088157	LJLBZPHWPDXQMS-DYEKYZERSA-N	322.409	1.102	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC2(CCO)CCCCC2)cn1	491108949	ZCFPVSVAHBWZLY-ZROIWOOFSA-N	302.378	1.529	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)N[C@@H]1C=CCC1	821092098	JJWOYFJVERRWFU-CMPLNLGQSA-N	307.325	1.642	50	20	DDGD	
CCOCCC1(CNC(=O)NNC(=O)OC(C)(C)C)CC1	493994466	BBYSVQJJEWHQKD-UHFFFAOYSA-N	301.387	1.932	50	20	DDGD	
O=C(NNS(=O)(=O)CCCCF)c1cc2c(s1)CCC2	829629834	RIKQDPMYQFEPBO-UHFFFAOYSA-N	320.411	1.551	50	20	DDGD	
COC(=O)[C@@H](C)CN(C(=O)/C(C#N)=C\c1cnn(C)c1)C1CC1	491138527	ZGPFQICSTAYWIZ-RYPVXOHGSA-N	316.361	1.127	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)c1F	909362164	RQEDPKMFGRZOED-UPZJHPNMSA-N	306.293	1.281	50	20	DDGD	
COC(=O)NN=Cc1cn(-c2ccccc2Br)nn1	495950251	NWRFWLQLHQZUJW-UHFFFAOYSA-N	324.138	1.720	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1c[nH]nc1-c1c(F)cccc1F	823946961	QEOMVLWTAHLJRT-MRVPVSSYSA-N	310.304	1.312	50	20	DDGD	
COC[C@H](CNCc1ccc(B(O)O)o1)c1ccc(Cl)cc1	585042577	AHBKHPYWYALUJF-LBPRGKRZSA-N	323.585	1.133	50	20	DDGD	
CSc1cc(C)ccc1CNCc1ccc(B(O)O)cc1	585031032	ORKMUNSARHQKCU-UHFFFAOYSA-N	301.220	1.687	50	20	DDGD	
COC(=O)c1cc(NNC(=O)N[C@@H]2CC[C@H](C#N)C2)ccc1F	824771866	URQKDGAOEIEQKN-VHSXEESVSA-N	320.324	1.931	50	20	DDGD	
O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ccc(B(O)O)c(F)c1	584949830	AAKHCBGMNASDGO-GMXVVIOVSA-N	305.158	1.204	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)c2ccccc2n1	907955171	YUUZHUMQMPORRW-KNXALSJPSA-N	323.352	1.529	50	20	DDGD	
O=C(N[C@@H]1C[C@@]12CCCc1ccccc12)c1ccc(B(O)O)cc1	584965240	OIDVWRAWNBPHRL-IEBWSBKVSA-N	321.185	1.143	50	20	DDGD	
CN(C)CC1(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)CC1	822760715	RCGNUQBIPOYKTM-UHFFFAOYSA-N	312.320	1.459	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCc1ccn(C(C)C)n1	738449311	BXEDSZWTCCVGAI-UHFFFAOYSA-N	315.377	1.917	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@H](Cc1ccccc1)C1CC1	828721806	GNQSTUBZPPZZHT-OAHLLOKOSA-N	303.406	1.401	50	20	DDGD	
COc1ccc(C=NNC(=O)C2CCCC2)c(OCC(=O)O)c1	734365455	IFNQIGGTBFQFKY-UHFFFAOYSA-N	320.345	1.799	50	20	DDGD	
C[C@H](C1CCCCC1)N(C)C(=O)c1ccc(B(O)O)c(F)c1	584987880	WQZAZKOYKDOBSU-LLVKDONJSA-N	307.174	1.546	50	20	DDGD	
O=C(N[C@@H]1C[C@H]2CCCc3cccc1c32)c1ccc(B(O)O)cc1	584969789	PNNUTWKCCFSOCU-RHSMWYFYSA-N	321.185	1.661	50	20	DDGD	
C[C@H]1CC(=NNC(=O)[C@@H]2COc3ccccc3O2)C[C@@H](C)O1	834917824	KASVNGHFCHPHFY-RWSFTLGLSA-N	304.346	1.886	50	20	DDGD	
CC(=O)NC[C@H](CC(=O)NNc1ncncc1F)CC(C)C	832822497	GNPYBOQBPIJHSS-NSHDSACASA-N	311.361	1.247	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1cc2c(s1)CCC2)N(C)C	836620483	DBXSQNIUTNZOTM-VIFPVBQESA-N	310.423	1.131	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCS[C@H](c2ccccc2)C1	735494631	GKVFMAHCTVLQAI-JSGCOSHPSA-N	321.446	1.722	50	20	DDGD	
CO[C@H](C1CC1)[C@@H](C)NC(=O)NNC(=O)c1ccccc1O	838701372	GSBZIGYPNCUAHH-RNCFNFMXSA-N	307.350	1.150	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1cc(Cl)c[nH]1	732304818	WEYPWFFPOLLJFC-UHFFFAOYSA-N	313.766	1.829	50	20	DDGD	
C#Cc1ccc(C(=O)NNc2ccccc2S(C)(=O)=O)cn1	732303540	HUNSLNKLCIGGRK-UHFFFAOYSA-N	315.354	1.223	50	20	DDGD	
CCCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)C1CCCC1	834953585	JZXHZUUTBCSTSJ-SNVBAGLBSA-N	303.428	1.387	50	20	DDGD	
CCC[C@H](NCc1cccc(B(O)O)c1)[C@@H](O)c1ccccc1	585039010	NIYROHQSCDQFON-ROUUACIJSA-N	313.206	1.358	50	20	DDGD	
Cc1cc(C)cc(C(=O)NNC(=O)COc2ccccc2O)c1	730780345	VJQAIFMFJXZRSP-UHFFFAOYSA-N	314.341	1.849	50	20	DDGD	
C[C@]1(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C[C@@H]1Br	906458322	DXFLOZJDRRCRQO-NOHGZBONSA-N	317.227	1.139	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1ccnn1CC1CCC1	901162867	DXIDRWUXYSQQEB-UHFFFAOYSA-N	314.393	1.798	50	20	DDGD	
N#C/C(=C/c1cn(CC(=O)O)nn1)C(=O)c1ccc(Cl)s1	588425518	HOGNRTDZGZTGST-CLTKARDFSA-N	322.733	1.867	50	20	DDGD	
C[C@@H](NCc1ccccc1B(O)O)[C@@H]1CCCN(C2CCC2)C1	585034585	KEXLBRUJFBTYPO-GDBMZVCRSA-N	316.254	1.109	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1CCN(C2CC2)C1	734285339	KKOAPMMVFRNFGK-LBPRGKRZSA-N	302.378	1.176	50	20	DDGD	
CCCOc1cc(C=NNC(=O)NCC(=O)O)ccc1OC	833652148	MNGVAUZJAXERJG-UHFFFAOYSA-N	309.322	1.202	50	20	DDGD	
CCCN(CCC)C(=O)COC(=O)/C(C#N)=C/c1cnn(C)c1	837969425	NREXZUXZZHEKRT-RIYZIHGNSA-N	318.377	1.519	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)CBr)CC1(Cl)Cl	832142551	VCTJDKUSFTUYTL-YFKPBYRVSA-N	311.028	1.842	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H]1CCC[C@H](C(=O)O)C1	832588979	JBQLLOJMDOXLBI-QWRGUYRKSA-N	320.345	1.347	50	20	DDGD	
COc1ccc([C@H](NCc2cccc(B(O)O)c2)C(C)C)cc1	585015240	UGCIYFBAAORBFD-GOSISDBHSA-N	313.206	1.862	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1scnc1C(C)C	838052408	CYCQRWCYQKUGAG-QMMMGPOBSA-N	313.379	1.369	50	20	DDGD	
OB(O)c1cccc(CNc2ccc3c(c2)[C@H](O)CCCC3)c1	585046960	DYEGAQMZOJOISL-GOSISDBHSA-N	311.190	1.738	50	20	DDGD	
O=C(NC[C@H]1CCN(CC(F)(F)F)C1)NNC(=O)C1CCC1	732241323	GEIIQPJAKOZTPI-SECBINFHSA-N	322.331	1.001	50	20	DDGD	
CNC(=O)NNC(=O)c1sc(-c2ccc(OC)cc2)nc1C	919879112	DOTMUCGSNYHSEO-UHFFFAOYSA-N	320.374	1.701	50	20	DDGD	
C[C@@H]1CCC[C@]1(C)C(=O)NNc1ccc(-n2ccnc2)nn1	832489100	WFZVEAOTWINUNR-ABAIWWIYSA-N	300.366	1.932	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCn1cccn1	914881789	VDQOMMHLZMZOKX-LLVKDONJSA-N	320.324	1.027	50	20	DDGD	
O=C(NCC(Cl)Cl)C1CN(C(=O)C2CCCCC2)C1	837644916	UCELGQKHHLJGEP-UHFFFAOYSA-N	307.221	1.945	50	20	DDGD	
O=C1C[C@H]2C[C@@H]1[C@H](C(=O)NNc1cccc(Br)n1)C2	837693158	OSNNTFDUCYVSEH-DJLDLDEBSA-N	324.178	1.902	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(CC(=O)NC)Cc1ccccc1	830621370	CDOBCNZZZRKIIM-OWBHPGMISA-N	301.346	1.205	50	20	DDGD	
CC(C)N1CC[C@H](NC(=O)NNc2ccc(F)c(F)c2)C1=O	918831501	SGLUQIMYSSIERA-LBPRGKRZSA-N	312.320	1.600	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2cc(Cl)ccc2Cl)CCN1	748510454	GCPUIVABIKVTEF-SSDOTTSWSA-N	302.161	1.963	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cn(C)nc1-c1ccccc1Cl	910167057	GHCNUSBZCYKZKP-JTQLQIEISA-N	322.796	1.698	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(O)c2)cc1	916830394	VHKKTVKFCQALEO-UHFFFAOYSA-N	313.313	1.100	50	20	DDGD	
C[C@@H](Cc1cnc[nH]1)C(=O)NNc1cccc(Br)n1	848214435	RUILWRSJLVVKHS-QMMMGPOBSA-N	324.182	1.889	50	20	DDGD	
C[C@@H]1CCCC[C@H]1NC(=S)NNC(=O)Cc1ccncc1	747673156	VQTNMXIBIWTJEB-DGCLKSJQSA-N	306.435	1.698	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1c(F)cccc1F	843657719	CYWNUTDNEQGKMU-AEJSXWLSSA-N	312.316	1.641	50	20	DDGD	
CC[C@H](Cc1ccccc1)C(=O)NNc1nccn(C)c1=O	747946115	TWWHEEFXNVESKN-CYBMUJFWSA-N	300.362	1.492	50	20	DDGD	
Cn1nc(C(=O)NN=Cc2ccccc2)c2ccccc2c1=O	916316641	ZEGAJSSUNMWIAD-UHFFFAOYSA-N	306.325	1.697	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cc(Cl)ccc1O	748260406	SJCMJAGUTIHWLI-SECBINFHSA-N	300.742	1.547	50	20	DDGD	
CC[C@H](C)CN(C)CC(=O)NNC(=O)c1ccc(C#N)cc1	744400519	KSZPYHBTNMBDOB-LBPRGKRZSA-N	302.378	1.297	50	20	DDGD	
COc1cccc(NNC(=O)NCC[C@@H]2CCCN(C)C2)n1	841588614	BMPFZPRVORRWCF-LBPRGKRZSA-N	307.398	1.448	50	20	DDGD	
COC(=O)c1ccc(CCNC(=O)NNc2ncccn2)cc1	916248779	JOJVZIMLROUEHG-UHFFFAOYSA-N	315.333	1.132	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ccc(OC(F)F)cc2)o1	748655906	KHBSYNUHIMOQTJ-UHFFFAOYSA-N	311.244	1.737	50	20	DDGD	
CCn1nc(C=NNC(=O)[C@H]2CCO[C@@H]2C)c2ccccc21	842561347	KGOPPUJKKGZPPA-NEPJUHHUSA-N	300.362	1.931	50	20	DDGD	
C[C@@H](CCN)NC(=O)NNc1ccc(Br)c(F)c1	841967232	LUDMYVIAEKFXJE-ZETCQYMHSA-N	319.178	1.952	50	20	DDGD	
CNc1cc(Cl)ccc1C(=O)NNC(=O)[C@@H]1CCCCO1	848158028	NRNDGKFKILYXGX-LBPRGKRZSA-N	311.769	1.712	50	20	DDGD	
CC(=O)N1CCC(C(=O)NNc2cccc([N+](=O)[O-])c2C)CC1	748669901	KVRDXRGCIUDLAA-UHFFFAOYSA-N	320.349	1.605	50	20	DDGD	
N#Cc1cccc(OCC(=O)NNC(=O)CC2CCCC2)c1	749940803	OZYAISQPMKGWEX-UHFFFAOYSA-N	301.346	1.665	50	20	DDGD	
NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1ccc(C(F)(F)F)cc1	847600632	VLIVRZVHXYZIQJ-UWVGGRQHSA-N	301.268	1.660	50	20	DDGD	
C[C@@H]1O[C@H](C)C[C@H]1CNC(=O)NNc1nc2ccccn2n1	840434698	SDWMDHJXGBJPSU-VWYCJHECSA-N	304.354	1.169	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cc(O)ncc1Br	929793980	UVGXGDRAFGRJQK-UHFFFAOYSA-N	316.155	1.357	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccc2c1OCCCO2	845075907	HHDNXDDHLKRQQH-UHFFFAOYSA-N	307.375	1.143	50	20	DDGD	
C[C@@H]1COC[C@H]1NC(=O)NNC(=O)c1cccc2cccnc12	926001920	VQMCZGJOOLAPGN-ZWNOBZJWSA-N	314.345	1.214	50	20	DDGD	
CC(C)CCOc1ccccc1NC(=O)NNC(=O)CN(C)C	847207655	ZKXMQWBUWOKWBI-UHFFFAOYSA-N	322.409	1.826	50	20	DDGD	
Cn1ccnc(NNC(=O)[C@@H]2CCc3cc(F)ccc32)c1=O	857144559	MYEHVIJBRSHLQX-GFCCVEGCSA-N	302.309	1.093	50	20	DDGD	
CN(C)c1nccc(NNC(=O)C[C@H]2CSCCS2)n1	752624719	QLGSTONKBIBGHB-VIFPVBQESA-N	313.452	1.224	50	20	DDGD	
CCN1CC[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NNC(=O)CC(C)C	751478790	CYMNBWGTIRAFOQ-KFWWJZLASA-N	324.469	1.127	50	20	DDGD	
C=CC[C@@H]1CCCN(CC(=O)NNC(=O)c2cccs2)C1	852408913	COEXZZXNWCHTRY-GFCCVEGCSA-N	307.419	1.797	50	20	DDGD	
O=C(NN=Cc1c(F)cccc1F)C(=O)Nc1ccccn1	758388067	UZZLVBKVKALVTR-UHFFFAOYSA-N	304.256	1.449	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@@H](N(C)c2ccccc2)C1	852653818	BAQLUUYGZJWYSY-OAHLLOKOSA-N	318.421	1.001	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(Cl)c(OC)c(Cl)c1	756301188	ASJTYJZEFVJMGP-UHFFFAOYSA-N	322.148	1.801	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H](CCO)C(F)(F)F	854616213	DUFJBYBZVSXMJW-PMDBQALLSA-N	314.263	1.729	50	20	DDGD	
CCn1ccc(NC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)n1	855557810	KSBZIMGALXJKCV-NTUHNPAUSA-N	308.345	1.967	50	20	DDGD	
COC(=O)N(C)CCNC(=O)NNc1cc(Cl)ccn1	852659611	GZRPJZJJRIAUCQ-UHFFFAOYSA-N	301.734	1.059	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](Oc1ccccc1C#N)C(C)C	854925131	CAVDQCHKIBLTTD-CYBMUJFWSA-N	320.418	1.429	50	20	DDGD	
C[C@@H]1C[C@H](O)CN(C(=O)NC[C@@]2(C)C[C@H]2Br)C1	856960145	LWJAIADITMUPEL-DTHBNOIPSA-N	305.216	1.572	50	20	DDGD	
C[C@@H]1CN(C2CC2)CC1=NNC(=O)c1ccc2c(c1)OCO2	755871052	CTVJCNVSPBLFGP-SNVBAGLBSA-N	301.346	1.615	50	20	DDGD	
CCN(CC)C(=O)c1ccc(C(=O)NN(C)C(=S)NC)cc1	854924292	TUNHJEKKVDPKFW-UHFFFAOYSA-N	322.434	1.250	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cccc(SC)c1[N+](=O)[O-]	854922372	HQHARLSJFIIKGT-UHFFFAOYSA-N	314.392	1.398	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C1CC2(CC2)C1	854223001	ADFFGAURNCEBQD-JTQLQIEISA-N	306.337	1.931	50	20	DDGD	
CN(C)C(=O)COc1ccccc1C=NNC(=O)c1ccc[nH]1	920372828	DIRXSWNLZXWVAC-UHFFFAOYSA-N	314.345	1.246	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2ccc(C(=O)N(C)C)[nH]2)cs1	752163829	MCQZYYIBVHNCDJ-UHFFFAOYSA-N	319.390	1.174	50	20	DDGD	
Cc1cccc([C@@H]2C[C@H]2C(=O)NNC(=O)Cc2cccnc2)c1	859199712	UVZWVPBSTXGPBZ-JKSUJKDBSA-N	309.369	1.884	50	20	DDGD	
CCC[C@@H](OCC)C(=O)OCC(=O)NNC(=O)c1ccccc1	859832514	GWXYSTACWCNHRT-CYBMUJFWSA-N	322.361	1.196	50	20	DDGD	
CCCC[C@H](C(=O)NNC(=O)CNC(=O)c1ccco1)C(C)C	857099178	MILXVPOLKQEKBQ-LBPRGKRZSA-N	323.393	1.619	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C(C2CC2)C2CC2)c1	753007743	DFZVKYPFCWLBKM-UHFFFAOYSA-N	318.373	1.901	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)cc1O	855097039	IDGJKTMMWOLDIZ-QMMMGPOBSA-N	321.402	1.502	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCS[C@H](C)CC1	755199866	QWPZSYVJDSIGNH-VXGBXAGGSA-N	301.456	1.396	50	20	DDGD	
C[C@@H]1CN(C(=O)NC[C@]2(C)C[C@H]2Br)[C@H](C)CO1	856951953	AEEWLRYXLLQJQW-BFLSOPEQSA-N	305.216	1.979	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)c2cnn(C)c2)C[C@H]1C	758109713	KDNONEPWALVYDZ-MFKMUULPSA-N	306.366	1.505	50	20	DDGD	
CC(=O)N1CC(C(=O)OC[C@H](CBr)C2CC2)C1	859650331	XSQUENNQKGSACR-JTQLQIEISA-N	304.184	1.429	50	20	DDGD	
CCOC(=O)C[C@@H](O)COC(=O)/C(C#N)=C/c1ccc(O)cc1	859580060	IDBDOLJPXRASAC-WEKMIXOTSA-N	319.313	1.156	50	20	DDGD	
C[C@]1(CNC(=O)c2ccn3nnnc3c2)C[C@H]1Br	857407000	BUQZNQQGLZTKNM-LDYMZIIASA-N	310.155	1.028	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(C(=O)OC)c(C)c1	930207316	KJDDORIMVJKVRW-UHFFFAOYSA-N	317.345	1.738	50	20	DDGD	
O=C1CSC[C@@H](C(=O)NNc2cccc(C(F)(F)F)c2)N1	935016674	IFRWKPUXLHOANC-VIFPVBQESA-N	319.308	1.380	50	20	DDGD	
Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@]1(C)C[C@@H]1Br	857249162	CPWBCBDTNVCNTH-GXSJLCMTSA-N	316.155	1.837	50	20	DDGD	
CN1CCCC[C@@H](CNC(=O)NNc2ncncc2Cl)C1	858766664	QKLCHIXXRYNABS-JTQLQIEISA-N	312.805	1.488	50	20	DDGD	
CC(=NNC(=O)c1cccc(S(C)(=O)=O)c1)C1CCOCC1	755892941	NNAHVKZATUYHHG-UHFFFAOYSA-N	324.402	1.622	50	20	DDGD	
CC1=CCN(CC(=O)NNC(=O)c2cccc(Cl)c2)CC1	756636543	OWEOBPQGKOAIRZ-UHFFFAOYSA-N	307.781	1.753	50	20	DDGD	
O=C(Cc1c[nH]c2ncccc12)NNC(=O)c1ccccc1F	756901172	IUCFGTGTBKCIGE-UHFFFAOYSA-N	312.304	1.706	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(Br)nc1C	757886432	BJYUFMWJGRZHCJ-UHFFFAOYSA-N	301.144	1.715	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1	761626234	VMOFQDMSHPBSLI-JTQLQIEISA-N	308.338	1.829	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)c1cc(O)cs1	765404571	XEWODTMUKJLMOJ-UHFFFAOYSA-N	324.383	1.713	50	20	DDGD	
CCOC(=O)C(F)(F)[C@H]1CCC(=NNC(=O)c2cn[nH]c2)C1	863155148	ZESKPFHFZOANEE-VIFPVBQESA-N	314.292	1.494	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC2(CC1)COC(=O)N2	867093394	OMIITOREFNKCCJ-UHFFFAOYSA-N	324.830	1.156	50	20	DDGD	
C[C@@H](NNC(=O)[C@@](C)(O)CCc1ccccc1)C(F)(F)F	862320180	POEATWHUCVGJGY-MFKMUULPSA-N	304.312	1.942	50	20	DDGD	
COc1cc(OC)c(C(=O)O)cc1/C=C(/C#N)C(=O)NC1CC1	863178469	RMXRZLYZLKTDOZ-YHYXMXQVSA-N	316.313	1.588	50	20	DDGD	
CC[C@@H](C(=O)NN=c1cc[nH]c(C)c1)N1CCO[C@H](CC)C1	862513824	LRNRPEKMKDACEZ-CABCVRRESA-N	306.410	1.144	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CO[C@H]2CCOC2)c1	1119093772	VXHWZBPPWDRVNM-LBPRGKRZSA-N	323.418	1.427	50	20	DDGD	
CC(C)c1ccc(NC(=O)C(=O)NNC(=O)C2CCC2)cc1	764335157	MNERVLYAFDMULH-UHFFFAOYSA-N	303.362	1.696	50	20	DDGD	
C[C@H](C=NNC(=O)CS(C)(=O)=O)c1cc(F)cc(F)c1	863186472	YWLSXOPBHZAVJK-MRVPVSSYSA-N	304.318	1.215	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccnc(OC)c2)cc1	1116947479	KTRICPYQQNGNLT-UHFFFAOYSA-N	316.317	1.565	50	20	DDGD	
COc1cccc(NNC(=O)[C@H]2c3c[nH]nc3CC[C@@H]2C)n1	879422690	TWEAMAIFYRNGOY-LKFCYVNXSA-N	301.350	1.623	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccccn1)c1c(F)cccc1F	763289276	ILMINPCSNLASIP-SECBINFHSA-N	305.284	1.925	50	20	DDGD	
CC(=O)CCCC(=O)NNC(=O)c1cncn1-c1ccccc1	1115817479	GCURHFLYPGKRTQ-UHFFFAOYSA-N	314.345	1.393	50	20	DDGD	
COc1ccc([C@H](NC(C)C)C(=O)NNC(=O)C(C)(C)C)cc1	1119517267	QLURUWZOTHCEJK-AWEZNQCLSA-N	321.421	1.928	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1cc(Br)cs1	875103683	PCQQJCGWOAJTEQ-UHFFFAOYSA-N	322.184	1.923	50	20	DDGD	
Cc1cccc(NNC(=O)NCc2nnc3n2CCCC3)n1	875115164	DRTMOMHWHQYNHY-UHFFFAOYSA-N	301.354	1.144	50	20	DDGD	
COc1cccnc1NC(=O)NNC(=O)CCc1ccccc1	771798492	AJKYRMSBSZNKNH-UHFFFAOYSA-N	314.345	1.876	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@H]1c1ncc[nH]1	778226760	RUKWRVJHKATZDX-NEPJUHHUSA-N	307.398	1.129	50	20	DDGD	
C=CCOc1cccnc1C(=O)NN=c1cc[nH]cc1Cl	775613154	IPOQWYFNSPDVPH-UHFFFAOYSA-N	304.737	1.874	50	20	DDGD	
CS[C@H](C)CCC(=O)NNC(=O)COCc1ccccc1	773301692	DRYXVETUVVCQRS-GFCCVEGCSA-N	310.419	1.882	50	20	DDGD	
O=C(NNC(=O)c1c(F)ccc(O)c1F)c1ccccc1F	773708417	ZYWRHWUFMZKDQY-UHFFFAOYSA-N	310.231	1.884	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@](C)(O)C(C)C)c1	874949730	BJLXRHWXMXUQGE-OAHLLOKOSA-N	305.403	1.393	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H](C)OC[C@H]1CCCO1	772894371	WRBZXYRZEQJWDV-VXGBXAGGSA-N	308.382	1.627	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)CSCC#N)c1	874948418	UDTLQKOAHLROQA-UHFFFAOYSA-N	312.395	1.709	50	20	DDGD	
C[C@@H]1C[C@H](CNC(=O)NNC(=O)CCc2ccccc2)CCO1	770825131	ACESTUVCBAVVNM-UKRRQHHQSA-N	319.405	1.765	50	20	DDGD	
Cc1cccc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)c1F	772188068	MYVZIBUSWCYMOM-NSHDSACASA-N	324.352	1.873	50	20	DDGD	
O=C(NNC(=O)c1cccc(O)c1O)c1cccc([N+](=O)[O-])c1	776312682	LIONGBKYBVIJRU-UHFFFAOYSA-N	317.257	1.081	50	20	DDGD	
Cc1ccsc1-c1cn(CC(=O)NNC(=O)C(C)(C)C)nn1	881306065	FPCDTQDVVYBEAR-UHFFFAOYSA-N	321.406	1.509	50	20	DDGD	
Cc1ccccc1OCCCC(=O)NNC(=O)C1CCOCC1	883060892	APOJOCLNGGQJNY-UHFFFAOYSA-N	320.389	1.728	50	20	DDGD	
CC(=O)Oc1cccc(OS(=O)(=O)CBr)c1	782472559	KPDPXDNGGYUWGH-UHFFFAOYSA-N	309.137	1.673	50	20	DDGD	
CC[C@H](Oc1ccccc1C)C(=O)NNC(=O)c1cccnn1	882058851	RGBMXKDZIFTXAL-ZDUSSCGKSA-N	314.345	1.404	50	20	DDGD	
C[C@H](Sc1nncn1C)C(=O)NNc1ccc(F)c(F)c1	885110495	FWYWSOWKEHBZJH-ZETCQYMHSA-N	313.333	1.717	50	20	DDGD	
C[C@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1S(=O)(=O)CC(C)(C)CCl	882869823	QUSAPSRXYWXKML-MXWKQRLJSA-N	324.874	1.521	50	20	DDGD	
CC[S@](=O)[C@@H]1CCC[C@@H](NS(=O)(=O)CCCCl)C1	881973955	WJYLXMSZOVUUBK-AGKHESDQSA-N	315.888	1.615	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccccc1)C1=CCN(C)CC1	781395884	YRZYTPLDTVRFQW-LBPRGKRZSA-N	302.378	1.281	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNc2ncncc2Cl)c1	782159105	MMSLBNYYSOPQOH-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
CSc1ccc(NC(=O)C(=O)NNc2cc(C)ccn2)cn1	783931162	JIGPXLSIXXMPOC-UHFFFAOYSA-N	317.374	1.589	50	20	DDGD	
C=C[C@@](C)(CC)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	785762473	UJYXYHPPABSGMK-KRWDZBQOSA-N	318.373	1.902	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cnc2[nH]cnc2c1	780739037	XBYLDYOEUJKSCK-UHFFFAOYSA-N	311.301	1.501	50	20	DDGD	
C=C1CCC(C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)CC1	899975111	MEQFQYIRSWQZDD-UHFFFAOYSA-N	315.373	1.827	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCc1ccc(C(=O)OC)cc1	780707130	XIPXPHDPPKOPAP-UHFFFAOYSA-N	307.350	1.098	50	20	DDGD	
COC(=O)CCC(=O)COC(=O)/C(C#N)=C\c1ccc(C)cc1	782073060	ITQKNOSXTTWBLV-ZROIWOOFSA-N	315.325	1.968	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(OC)cc1OC(F)F	789846188	MKRPTURMWPJOPC-UHFFFAOYSA-N	317.292	1.603	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)NC[C@H](C)C#N	781946022	XXOUCNRTMQBQIM-SNVBAGLBSA-N	322.390	1.277	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)CCC1(C)CC1	891958230	XHBYTCZNYJXSCG-UHFFFAOYSA-N	305.378	1.835	50	20	DDGD	
CCN(C)c1ccc(C=NNC(=O)NCc2ccco2)cn1	790159895	OHIRKOYFZIJYTB-UHFFFAOYSA-N	301.350	1.964	50	20	DDGD	
CCC(O)(CC)CCNC(=O)NNc1nc2ccccn2n1	790514999	RWQKPQXPINMJKU-UHFFFAOYSA-N	306.370	1.297	50	20	DDGD	
COc1ccc([C@@H](NC(C)C)C(=O)NN=c2cc[nH]cc2)cc1	897346485	UXRXLQZPXBUCTK-MRXNPFEDSA-N	314.389	1.695	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])C(=O)Nc1cccnc1	790997298	NBBZYFPMWBGFIX-UHFFFAOYSA-N	319.252	1.211	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(CC1CCC1)[C@H](C)CO	796555651	QXGJXIYQPWHKJB-OLZOCXBDSA-N	313.442	1.051	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)C1(S(C)(=O)=O)CCC1	793970949	LRWCBBPTTWHCTL-UHFFFAOYSA-N	312.395	1.010	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H](c1cccnc1)C(C)C	797841340	LXFJLXODZTVMLX-ZDUSSCGKSA-N	308.382	1.188	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2ccc(F)cc2C#N)n1	797633052	DOWYUWPAOBETCC-UHFFFAOYSA-N	313.292	1.867	50	20	DDGD	
COc1cc(C=NNC(=O)Cn2nc(C)cc2C)ccc1C#N	799471810	KKPZCOKIIRSPNV-UHFFFAOYSA-N	311.345	1.531	50	20	DDGD	
C[C@]1(C=NNC(=O)Cc2cc(O)nc(S)n2)CCCS1	792959785	RGKIKPBNJUYFEC-GFCCVEGCSA-N	312.420	1.401	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1n[nH]cc1[N+](=O)[O-]	798309969	HIEAERQPZLVVNW-UHFFFAOYSA-N	304.266	1.093	50	20	DDGD	
CSSCCNC(=O)NC[C@@H](C)CN1CCN(C)CC1	790764288	YAISLOLCMALCJI-GFCCVEGCSA-N	320.528	1.180	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1c(C)cc(C)cc1O	799873478	HFBQPRXISJWHKI-LBPRGKRZSA-N	324.402	1.284	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCN(C)C2CCCCC2)n1	794086745	WSPKKKZXBMLICE-UHFFFAOYSA-N	318.421	1.806	50	20	DDGD	
CN(CCC(=O)NNC(=O)NCC(F)(F)F)C1CCCCC1	798315273	RCLGILADJZLUNE-UHFFFAOYSA-N	324.347	1.534	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C2CC(c3ccc(F)cc3)C2)cn1	794341349	WLNUHIMVAQGJLF-UHFFFAOYSA-N	316.336	1.514	50	20	DDGD	
Nc1cnnc(NNC(=O)NCCC2CCOCC2)c1Cl	1319394472	QOYCXTPIZXGWDG-UHFFFAOYSA-N	314.777	1.155	50	20	DDGD	
Cc1ccc(S(=O)(=O)C2CCN(C(=O)CCl)CC2)cc1	1329677877	DFGGTMNIXJCHGS-UHFFFAOYSA-N	315.822	1.999	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H](C)n2cccc2)cc1	1322747257	UKRZAGBAAOCSJX-NSHDSACASA-N	302.334	1.911	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cccc2ccoc12	1328090393	FTVDDIFLABFVHI-ZDUSSCGKSA-N	315.373	1.851	50	20	DDGD	
COCCn1cc(NC(=O)NNc2ncccc2F)ccc1=O	1326624748	UMEWWLQVDYXXEG-UHFFFAOYSA-N	321.312	1.177	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccccc1SC(F)F	1320222692	GSFUEQZDBNCNKS-UHFFFAOYSA-N	305.306	1.536	50	20	DDGD	
C[C@H](C(=O)NNc1cncc(Br)c1)n1cccn1	1324493399	INGJAXULYQLOMF-MRVPVSSYSA-N	310.155	1.745	50	20	DDGD	
Cn1ccc(NNC(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)n1	1326192578	JPVIJFMCJCPHQT-GFCCVEGCSA-N	317.324	1.055	50	20	DDGD	
CNc1ncnc2cc(C(=O)NNC(=S)NC(C)C)ccc12	1327753530	BLOWZBYYVQLOCX-UHFFFAOYSA-N	318.406	1.189	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H](OC)c1ccc(Cl)cc1	1332709277	MDQFJORYVASKDY-LLVKDONJSA-N	315.757	1.940	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1C	1338528647	VTMGVOFKQGUOHN-UHFFFAOYSA-N	301.346	1.193	50	20	DDGD	
CCN(CCO)NC(=O)c1csc(Nc2ccccn2)n1	1336010891	LAXYHNZKMGZCDT-UHFFFAOYSA-N	307.379	1.241	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C23CCCN2CCC3)c1	1348912367	DZMWERBXZCLSFQ-UHFFFAOYSA-N	318.446	1.941	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)[C@@H]2C[C@@H]2F)cc1OC	1348434225	OCXYURCNBBLQFY-MNOVXSKESA-N	310.325	1.603	50	20	DDGD	
O=C(NCCc1ccncc1)NNc1ccc(F)c(C(=O)O)c1	1608454310	DDFNQJKNSGBFCQ-UHFFFAOYSA-N	318.308	1.788	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1cccc(C(=O)O)c1C)C(C)C	1603052785	ULSJIVAXQVNBGQ-CYBMUJFWSA-N	307.350	1.297	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H](C(=O)O)C1)c1c[nH]c2ccccc12	1601556248	TVNIHVCCDLTBDL-DTORHVGOSA-N	301.302	1.040	50	20	DDGD	
Cc1ccc(NNC(=O)c2ccc(Cl)nn2)cc1C(=O)O	1607809169	IJWSTROMBHIKGY-UHFFFAOYSA-N	306.709	1.894	50	20	DDGD	
Cc1c(NNC(=O)c2cc3n(n2)CCCO3)cccc1C(=O)O	1607551800	AKQVQKMGNKKIOH-UHFFFAOYSA-N	316.317	1.429	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)NCC[C@H]2CCOC2)cc1	1608780829	FYOSJJJVACDTHS-LBPRGKRZSA-N	307.350	1.366	50	20	DDGD	
CC(C)CCC(=O)NCC(=O)NNc1ccc(CC(=O)O)cc1	1603786415	DCYJYMLTEJBFNS-UHFFFAOYSA-N	321.377	1.309	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)Nc2cccc(C(=O)O)c2)n1	1610648673	KCNCBIHACBKGIW-UHFFFAOYSA-N	322.712	1.559	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)C(=O)c1ccc(O)cc1	1610700398	PHLKAISTQXJKKH-UHFFFAOYSA-N	300.270	1.416	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C[C@@H](C)CC(=O)O)cc1	1610330264	IYMFZEIWVLDMBP-LLVKDONJSA-N	322.361	1.276	50	20	DDGD	
O=C(NN=Cc1cc2cccnc2o1)[C@@H]1CN2CCC[C@H]2CO1	1549315965	PXQOLSWGNUDHAL-JSGCOSHPSA-N	314.345	1.141	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C(=O)NN=CC[C@@H]1CCOC1	1549313210	YNPGOLPKTGBYNH-HZSPNIEDSA-N	320.393	1.416	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc(C(=O)O)c(F)c2)c(C2CC2)n1	1610600447	QSIZHMAGUUOUOS-UHFFFAOYSA-N	318.308	1.892	50	20	DDGD	
CCc1cccc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)c1	1549317699	YOUUFOPNTBYHEL-JKSUJKDBSA-N	301.390	1.562	50	20	DDGD	
Cn1cc([C@H]2OCCC[C@@H]2C(=O)NCC(Cl)Cl)cn1	1552044850	DAZHSTACDXOZAP-GXSJLCMTSA-N	306.193	1.808	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1ccc(C(=O)OC)cc1	3304532	FOBFUTWGABMBHN-RVDMUPIBSA-N	316.357	1.923	50	20	DDGD	
NCC1(C(=O)NNc2cccc3c2OC(F)(F)O3)CCCC1	1574270355	BRBJHYYVQWTOLC-UHFFFAOYSA-N	313.304	1.970	50	20	DDGD	
CO[C@@H]1CN[C@](C)(C(=O)NNc2ccc(C(F)(F)F)cn2)C1	1573961429	SJCQYASGTYSZED-CABZTGNLSA-N	318.299	1.311	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@H](C(=O)NN)C[C@H]1[C@H]1CCCO1	1575173769	ZTDXCMKLTGUPST-SDDRHHMPSA-N	313.398	1.171	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)[C@H]1CNc2ccccc21	1580739333	DDTLRIZYUZPURU-LBPRGKRZSA-N	322.328	1.784	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)CCC(C)=O)C2	1845164145	OCFISDLPZLDRIB-LBPRGKRZSA-N	314.813	1.576	50	20	DDGD	
CC(C)[C@@]1(C)C[C@H]1NC(=O)NNc1cccc(-c2nn[nH]n2)c1	1589490795	OHRNLQQKQNKRRP-IUODEOHRSA-N	315.381	1.927	50	20	DDGD	
NC1(CC(=O)NNC(=O)c2ccc(Cl)cc2Cl)CC1	1580143791	FZDBDLRNDWDYOT-UHFFFAOYSA-N	302.161	1.636	50	20	DDGD	
C[C@@](Cl)(CCl)C(=O)N1CCCC12CN(C(=O)C1CC1)C2	1845173374	KRRUDZPCLJYNMO-CYBMUJFWSA-N	319.232	1.836	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)CC2(CC(=O)O)CCCC2)O1	1599906581	DDBLYIFFQJVZQK-QWRGUYRKSA-N	312.366	1.127	50	20	DDGD	
O=C([C@H]1CCCOC1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843367569	NFJSBPIFDCOOCQ-WDEREUQCSA-N	318.776	1.151	50	20	DDGD	
C[C@H](NC(=O)c1ccco1)C(=O)NNc1ccccc1C(=O)O	1599903177	ZWKHOIBEDAYBCW-VIFPVBQESA-N	317.301	1.239	50	20	DDGD	
O=C(O)CCCC=NNC(=O)c1cc(Br)c[nH]1	1595031549	PTMAMNZVWUZWFZ-UHFFFAOYSA-N	302.128	1.748	50	20	DDGD	
CC[C@@H](C)[C@@H](C)NC(=O)NNc1cccc(-c2nn[nH]n2)c1	1590398515	CEPAPQJHTIWEPU-NXEZZACHSA-N	303.370	1.927	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1coc(-c2nn[nH]n2)c1	1593166657	JANWXLWFCJMRTD-UHFFFAOYSA-N	305.685	1.265	50	20	DDGD	
Cc1cccc(NNC(=O)c2cccc(F)c2-c2nn[nH]n2)n1	1592235145	BXXZTICBTVZMAB-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
COCCCS(=O)(=O)/C(C#N)=C\c1csc(C(=O)O)c1	1777207211	ZMYQBNVBVHWIRX-YHYXMXQVSA-N	315.372	1.762	50	20	DDGD	
CCCn1cncc1C=NNC(=O)c1ccc(C(=O)O)cc1	1776101574	OMZVTVCKRJUKFT-UHFFFAOYSA-N	300.318	1.755	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NN=C(C)c1ccc(C(=O)O)c(F)c1	1776102794	YVRMTKPBCBDQME-AAEUAGOBSA-N	308.309	1.789	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NN=Cc1sc(Cl)cc1C(=O)O	1776102316	MYBMJUUUXGESLZ-SVRRBLITSA-N	316.766	1.975	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccc(N(C)C)c2)cn1	16233840	FZGVLPBJKYUMEB-UHFFFAOYSA-N	314.345	1.231	50	20	DDGD	
Cc1ccn(C)c(=O)c1NC(=O)NNc1ccccc1[N+](=O)[O-]	162097380	DSZFTMCDENCVMC-UHFFFAOYSA-N	317.305	1.751	50	20	DDGD	
CC(=O)NCCCCCC(=O)NNc1cnc2ccccc2n1	163501499	WBOUKSMJWHQPOA-UHFFFAOYSA-N	315.377	1.769	50	20	DDGD	
COc1cccc(CC(=O)NNc2ncccc2[N+](=O)[O-])c1	153591322	IWBCHZIZNXDKOF-UHFFFAOYSA-N	302.290	1.684	50	20	DDGD	
C[C@@H](C(=O)NNc1ccccc1Br)S(C)(=O)=O	153656382	DZPQERXUWQOHFY-ZETCQYMHSA-N	321.196	1.325	50	20	DDGD	
COc1cccc(OC)c1CC(=O)NNc1nc(C)cc(C)n1	155333152	BHMISBKLTHXEHQ-UHFFFAOYSA-N	316.361	1.796	50	20	DDGD	
CN(CCC(=O)NNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C	496455146	AHFNUSXOUABOCP-UHFFFAOYSA-N	317.386	1.799	50	20	DDGD	
O=C(N1CCCC[C@@H]1CNS(=O)(=O)CCl)C(F)(F)F	828139282	OUDHEWDLKUSRSJ-SSDOTTSWSA-N	322.736	1.046	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2ccc(C)n2C)c1	53164802	KDGFSNHDHRMYJD-UHFFFAOYSA-N	301.346	1.482	50	20	DDGD	
CCCN(C)c1ccc(C(=O)NNC(=O)c2cccn2C)cc1	58256069	CULQWNYXGDCEHE-UHFFFAOYSA-N	314.389	1.946	50	20	DDGD	
O=C(CNC(=O)NC1CCCCC1)NNc1ccc(F)cc1	56422226	KWKQVJRCULONHO-UHFFFAOYSA-N	308.357	1.901	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@H]1CCOc2ccccc21	103422955	JDBAACYGDRPCFC-AWEZNQCLSA-N	311.341	1.338	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccc(COc2ccccc2)o1	171351909	NYTXQNNMFVQTOZ-UHFFFAOYSA-N	317.345	1.181	50	20	DDGD	
O=C(NNc1ccccc1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O	171861415	BHMSVZDVABYVMM-NXEZZACHSA-N	301.268	1.587	50	20	DDGD	
Cn1c(NNC(=O)Cc2ccccc2O)nc2ccccc2c1=O	113437765	KSXCHPJBSGEFLT-UHFFFAOYSA-N	324.340	1.325	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccncc1	56498762	YKWJQEXBCCDWCK-UHFFFAOYSA-N	301.262	1.456	50	20	DDGD	
CC[C@H](C)N(C)CCNC(=O)NNc1nc(C)cc(OC)n1	175445569	ICKLVSQNQGINQC-NSHDSACASA-N	310.402	1.150	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)CC2CCCC2)c1-n1cccc1	176146549	OLFCZRHNNHBSDC-UHFFFAOYSA-N	315.377	1.552	50	20	DDGD	
CC(C)CCN(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	53363676	ABHMKGZEXDLNOT-UHFFFAOYSA-N	322.365	1.334	50	20	DDGD	
O=C(CNC(=O)c1cccc(F)c1)NNc1cccc(F)c1	119993348	XFPUCSDPKCSQAT-UHFFFAOYSA-N	305.284	1.838	50	20	DDGD	
CCc1nc(CCNC(=O)NNc2nc(C)cc(C)n2)cs1	171078487	RAMNHDDETPCZQJ-UHFFFAOYSA-N	320.422	1.981	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)CCOc1ccccc1C	109827280	KQLJXVNVSXIEIU-ZDUSSCGKSA-N	307.394	1.252	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)c1cccc(C#N)c1	112814819	UQESXSVDNXEFEH-DOMZBBRYSA-N	315.373	1.915	50	20	DDGD	
CSC[C@H](C)C(=O)NNC(=O)COc1ccc(C#N)cc1	66817265	GGQCORWGYLGROF-JTQLQIEISA-N	307.375	1.084	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ncccn1)Oc1ccccc1F	173262482	GQBHVYCJSSUHII-JTQLQIEISA-N	305.313	1.709	50	20	DDGD	
CCCCN(C)CCNC(=O)NNC(=O)Cc1ccc(F)cc1	112464869	KAOFIBQHOVSZPN-UHFFFAOYSA-N	324.400	1.431	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)COC[C@@H]1CCCO1)c1ccccc1	111630488	YQLFXLZJWBNPRF-LSDHHAIUSA-N	320.389	1.523	50	20	DDGD	
Cc1cc([C@@H](C)NC(=O)NNC(=O)c2cnn(C)c2)c(C)o1	118066877	BQURHBGARGYZTB-SECBINFHSA-N	305.338	1.335	50	20	DDGD	
COc1ncccc1CNC(=O)NNc1cncc(Cl)n1	124947940	PTNBOIRQVHDMRB-UHFFFAOYSA-N	308.729	1.360	50	20	DDGD	
O=C(CCCn1cncn1)NNc1ccc(OC(F)F)cc1	122207238	BFPYJRMNKMWPSW-UHFFFAOYSA-N	311.292	1.803	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)c1ccccc1)N1CCCCC1	67286109	GQKMLHJCEHBEFH-OAHLLOKOSA-N	303.406	1.958	50	20	DDGD	
CC(C)(C)N1CCC(NS(=O)(=O)CBr)CC1	127332092	SCFQPFLHNXDCTQ-UHFFFAOYSA-N	313.261	1.521	50	20	DDGD	
COc1cccc2[nH]cc(CC(=O)NNC(=O)c3cccnc3)c12	179882255	ZHVHALPMXHTNGL-UHFFFAOYSA-N	324.340	1.575	50	20	DDGD	
Cn1ncnc1NC(=O)NNc1ccc(C(F)(F)F)cn1	120001840	KFGVEXMZIDCZSM-UHFFFAOYSA-N	301.232	1.378	50	20	DDGD	
CN1C[C@H](C(=O)NNc2ccccc2C(F)(F)F)CC1=O	122874500	FPEAPIXXJKENGU-MRVPVSSYSA-N	301.268	1.627	50	20	DDGD	
CN1CCCc2cc(CNC(=O)NNC(=O)C(C)(C)C)ccc21	125415182	MOJBVCQAANFASN-UHFFFAOYSA-N	318.421	1.946	50	20	DDGD	
Cc1noc(C2CC2)c1NC(=O)NNC(=O)Cc1cccnc1	129605956	APOBJUKMVODWIK-UHFFFAOYSA-N	315.333	1.651	50	20	DDGD	
CC(C)[C@@H](CC(=O)NNC(=O)Cc1cc[nH]n1)c1ccccc1	186122821	WMOWFYRMJNCYEA-OAHLLOKOSA-N	314.389	1.930	50	20	DDGD	
C=C[C@@H](CC(=O)NNC(=O)C(=O)NC(C)C)c1ccccc1	124385637	YMDRTIPQKOXDKO-LBPRGKRZSA-N	303.362	1.018	50	20	DDGD	
CCCNC(=O)CCC(=O)NNc1ccc(C#N)c(Cl)c1	182351825	HDNZXXXTFUODJW-UHFFFAOYSA-N	308.769	1.961	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)Cc2ccc3c(c2)CCC3)n1	182780035	NIAGHISTVIFHPI-UHFFFAOYSA-N	317.780	1.887	50	20	DDGD	
O=C(CNC(=O)c1cc2ccccc2[nH]1)NNc1ccccn1	181216614	WKBSXQNBSHLMBJ-UHFFFAOYSA-N	309.329	1.436	50	20	DDGD	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NN(C)C(N)=O	182638457	CEFVNICMMFERDX-QMMMGPOBSA-N	303.284	1.926	50	20	DDGD	
O=C(NNc1ccccn1)[C@@H]1CCCN1C(=O)Cc1ccccc1	181226100	YYOLRLWHNPWUSH-HNNXBMFYSA-N	324.384	1.758	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C\c1cc(OC)cc(OC)c1	192567551	RSLSZABWLVNFPK-CGGVXGFASA-N	304.346	1.762	50	20	DDGD	
NC(=O)NCCCCCC(=O)NNc1ncnc2ccsc12	132409802	PTFPVPQHMKPWBU-UHFFFAOYSA-N	322.394	1.363	50	20	DDGD	
CNS(=O)(=O)CC(=O)NN(c1ccccc1)c1ccccc1	83598660	SUJKJYFLLWBDOL-UHFFFAOYSA-N	319.386	1.405	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)CCc1ccccc1O)N(C)C	133360622	CCUDKLVBYCIMFX-HNNXBMFYSA-N	307.394	1.058	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1ccc2ccccc2c1)n1cncn1	193713093	HQKUEXCYEGXCEG-LBPRGKRZSA-N	323.356	1.382	50	20	DDGD	
O=C(NNC(=O)c1ccco1)c1cc(-c2ccc(F)cc2)n[nH]1	192548216	RTVZUBDFWGDDLV-UHFFFAOYSA-N	314.276	1.884	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)[C@H](c1ccccc1)C1CC1	130303945	QBUOVHURXVLMPN-GFCCVEGCSA-N	308.345	1.990	50	20	DDGD	
COCc1nc(CNS(=O)(=O)CCCCCl)cs1	290027769	BPMKFYZZMQDJIU-UHFFFAOYSA-N	312.844	1.728	50	20	DDGD	
CCOc1ccc(-c2nnc(S)n2CCC(=O)NN)cc1	192713807	HTIMXRMLEPPDJU-UHFFFAOYSA-N	307.379	1.013	50	20	DDGD	
C[C@H]1CC[C@H](NC(=O)NNC(=O)Cc2ccncc2)[C@H](C)C1	83227159	VYSDWPNDXHZUHX-SCRDCRAPSA-N	304.394	1.779	50	20	DDGD	
CC(C)Oc1ccc(/C=C/C(=O)NNC(=O)C(C)(C)O)cc1	192919766	VCHQTVIWSYQHCB-JXMROGBWSA-N	306.362	1.405	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2cccnc2)cc(C)c1F	134612254	ZHNXMLCPCQSHEK-UHFFFAOYSA-N	301.321	1.841	50	20	DDGD	
O=C(CSCc1ccncc1)NNC(=O)NC1CCCCC1	194385772	AGTAPBZZKIGVAN-UHFFFAOYSA-N	322.434	1.978	50	20	DDGD	
CNCCCC(=O)NNc1nc(-c2ccc(Cl)cc2)no1	237190835	MNDYBUONRZQHCB-UHFFFAOYSA-N	309.757	1.833	50	20	DDGD	
Cc1c(CCC(=O)NNc2cc(C#N)cc(Cl)n2)cnn1C	93545430	VETZHEYBOQVSLE-UHFFFAOYSA-N	318.768	1.725	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H]2CCCS2)c1	266554878	SVHSTBQIPFEHRQ-GFCCVEGCSA-N	305.428	1.881	50	20	DDGD	
COc1cccc(OCC(=O)NNC(=S)N[C@H](C)C2CC2)c1	267660962	YBAHHNHVSQPJBB-SNVBAGLBSA-N	323.418	1.368	50	20	DDGD	
Cc1c(NNC(=O)[C@H]2CCc3cn[nH]c3C2)cccc1[N+](=O)[O-]	269609361	NXEYQMMUKWIKEG-JTQLQIEISA-N	315.333	1.875	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)N[C@H](C)C2CC2)cc1F	267631695	QSWGWZLZYQMOPH-MRVPVSSYSA-N	311.382	1.742	50	20	DDGD	
COCc1nc(C(=O)NNc2cc(Cl)nc(C)n2)cs1	267136503	XCLDCKIWEKWSFR-UHFFFAOYSA-N	313.770	1.798	50	20	DDGD	
CCOc1ccc(CNC(=O)NNC(=O)C2CCC2)cc1OC	264738216	OKHLEYYAWCJTCP-UHFFFAOYSA-N	321.377	1.724	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](C(C)C)N2CCCC2=O)cc1	264163580	TYLXVSZHTHLEMG-OAHLLOKOSA-N	305.378	1.785	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)N[C@H]1CCC[C@@H]1C	264454475	WGUFDHXNDOOLNY-RYUDHWBXSA-N	321.377	1.593	50	20	DDGD	
CC(C)C[C@H](C)NC(=O)NNC(=O)COc1ccccc1O	269813799	VIQIOTVJJXAKRC-NSHDSACASA-N	309.366	1.536	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1C[C@@]12CCOC2	368623546	IZLJYQDUXAFIIG-OWRWGESLSA-N	322.336	1.167	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc(OC2CCCC2)nc1	273223980	QXGBVPXWHPQUOR-UHFFFAOYSA-N	306.366	1.755	50	20	DDGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNC(=O)c2ccc(C#N)cc2)C1	279814570	OYNSBMDTAGENBA-UKRRQHHQSA-N	315.373	1.915	50	20	DDGD	
O=C(NC[C@@H]1CCSC1)NNC(=O)c1cccc([N+](=O)[O-])c1	279435644	ZRLLZOISFKKEKJ-VIFPVBQESA-N	324.362	1.292	50	20	DDGD	
C[C@@H]1CCC[C@@H]1NC(=O)NNc1cccc(S(C)(=O)=O)c1	271928329	ZPRLCPISEDWHEZ-MFKMUULPSA-N	311.407	1.905	50	20	DDGD	
O=C(NCCOCC(F)F)NNc1ncnc2ccsc12	276193487	AFIISCWLRUZPKT-UHFFFAOYSA-N	317.321	1.599	50	20	DDGD	
COC(=O)C1(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])CC1	274282998	LHSASXQONWYIOE-UHFFFAOYSA-N	313.697	1.645	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2)c1ccc[nH]1	372280951	IWMYKRMPDFLZNU-ZYUZMQFOSA-N	317.267	1.132	50	20	DDGD	
O=C(NNC(=O)c1nc2cccnc2s1)NC1CCCCC1	282624911	FLICGKRHAJRION-UHFFFAOYSA-N	319.390	1.968	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NNc1cccc(F)n1	286658116	VBPQGUHGYLKXJD-UHFFFAOYSA-N	312.345	1.969	50	20	DDGD	
CC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1	280972277	LJNDJUVGVNJVTL-WDEREUQCSA-N	302.252	1.856	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NNc2nccnc2C2CCC2)C1	286906281	HGIUCEHUYLURJO-LLVKDONJSA-N	317.393	1.446	50	20	DDGD	
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NNc1nc2ccccn2n1	281668904	YPGBLWRHYQIIJK-DGCLKSJQSA-N	316.365	1.337	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@](C)(OC)C1CC1	290926716	IJTGLUDFUYBKSK-QGZVFWFLSA-N	320.389	1.590	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C(C)(C)CSC	807370399	HALCAJXAGPTRTB-UHFFFAOYSA-N	306.428	1.312	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H](O)CCSC)c1ccccc1	294678650	RPYKQBGVOKWIFQ-QWHCGFSZSA-N	310.419	1.442	50	20	DDGD	
CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NNC(C)=O	294263268	QTMDSWSFBNCOBU-ABAIWWIYSA-N	317.389	1.153	50	20	DDGD	
CCSCC(=NNC(=O)NCC(=O)OC)c1ccccc1	807981882	UBXLEQFFYGINIG-UHFFFAOYSA-N	309.391	1.616	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCC2CCOCC2)cc1	299524620	QXZQZQXPLRSBTN-UHFFFAOYSA-N	321.377	1.131	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)[C@@H]1CCc2nnn(C)c2C1	290605662	AYKYQEXRBRBTIH-SNVBAGLBSA-N	303.341	1.511	50	20	DDGD	
CC[C@H](CNC(=O)NNc1ccncn1)NC(=O)OC(C)(C)C	298287611	CLBIGNVIZZEUPT-SNVBAGLBSA-N	324.385	1.406	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1cccnc1S	803435389	XJAHSAVIQUUVAO-UHFFFAOYSA-N	312.354	1.969	50	20	DDGD	
CCn1cc(C(=O)C(=O)NNc2ccc([N+](=O)[O-])cc2C)cn1	805377725	GSJVUYJBIPFHRT-UHFFFAOYSA-N	317.305	1.446	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1ccc(C#N)c(Cl)c1	802444103	UEFFUBSCGGRDFH-UHFFFAOYSA-N	310.741	1.079	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(F)cc2[nH]cnc12	295567622	ARBJENMNXPMLQP-NSHDSACASA-N	306.297	1.032	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c(C)o1	292589649	BHKPWCYXAMEERS-YRRQLQLVSA-N	318.329	1.180	50	20	DDGD	
COc1ccc2c(c1F)CCC2=NNC(=O)N1CCN(C)CC1	807984494	REBCJIBDXPBFDS-UHFFFAOYSA-N	320.368	1.442	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@@H]1CCCC12CCOCC2	800740286	LSABSJAPAUYUAB-SECBINFHSA-N	323.315	1.619	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=C1CCC(O)(C(F)(F)F)CC1	815001337	FADTWZOKGSNUOR-UHFFFAOYSA-N	316.283	1.848	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)c1ccc(O)c(Cl)c1	811644316	WYWDIMRURJYEAH-SNVBAGLBSA-N	309.753	1.820	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1C(=O)NNC(=O)COc1ccccc1O	819252800	XUKRBTZPMGKOBA-NEPJUHHUSA-N	306.362	1.745	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1c[nH]c2ncccc12	814952877	PIDOBUXUZBFVNW-UHFFFAOYSA-N	310.313	1.798	50	20	DDGD	
CC(=NNC(=O)c1ccc(O)c(Cl)c1)c1cc(CO)on1	812226900	WJWFRDGURJRACK-UHFFFAOYSA-N	309.709	1.680	50	20	DDGD	
Cc1cn(-c2c(F)cccc2F)nc1C(=O)NNc1nc[nH]n1	816633604	HSWIYPLHCYBUKN-UHFFFAOYSA-N	319.275	1.334	50	20	DDGD	
CN(NC(=O)c1cn(-c2cccc(Cl)c2F)nn1)C1CC1	819650587	SMGICTXPNFWFOU-UHFFFAOYSA-N	309.732	1.799	50	20	DDGD	
O=C(CCCC[C@H]1CCSS1)N1CCS(=O)(=O)CC1	728716294	FEQFILHTCZRFAT-NSHDSACASA-N	323.505	1.958	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NNc1cnnn1C	816770983	UALSQWWWRIKHKI-SSDOTTSWSA-N	313.720	1.518	50	20	DDGD	
CCOc1ccc(NNC(=O)Cc2ccc(C(N)=O)cc2)cc1	817900084	UWPNLBQZXVOHGZ-UHFFFAOYSA-N	313.357	1.870	50	20	DDGD	
O=C(NNS(=O)(=O)c1cc(F)ccc1Cl)C1CCCC1	728504531	KUXNVPGLVLCXPF-UHFFFAOYSA-N	320.773	1.979	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2CC[C@@H](C)C2)o1	824899763	NYGCLEVGPWDNTE-RKDXNWHRSA-N	319.369	1.857	50	20	DDGD	
COc1cc(CCC(=O)NNC(=O)CCc2ccccc2)on1	825089393	BXKUJMZTRGNMHE-UHFFFAOYSA-N	317.345	1.396	50	20	DDGD	
Cn1c(C(=O)NNCC(F)(F)C(F)(F)F)cnc1Cl	825004308	LYMUAHIARZNDLK-UHFFFAOYSA-N	306.622	1.506	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)CC(F)(F)F	826969340	ZRFZHKPNRONSES-YIZRAAEISA-N	311.304	1.330	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@@H]1CCN(c2ccccc2)C1	822231251	HXMMUKGCUZXXCH-CYBMUJFWSA-N	312.373	1.313	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCCc1nnc(S)n1C	820290145	PHALGVZUELVUAF-UHFFFAOYSA-N	324.385	1.420	50	20	DDGD	
O=S(=O)(CCCCl)NCc1ccc(-n2cccn2)cc1	726867877	CONBPIAPFTYTAX-UHFFFAOYSA-N	313.810	1.921	50	20	DDGD	
C[C@]1(C(=O)N2CCc3nc(N)ncc3C2)C[C@H]1Br	827590527	ZAGNWYZWFJYVLM-SKDRFNHKSA-N	311.183	1.117	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	826891953	BCGQMMXJPFAOST-REWJHTLYSA-N	311.426	1.958	50	20	DDGD	
O=C(N[C@H](c1ccccn1)C1CCCC1)c1ccc(B(O)O)cc1	584954914	PXWHCQMWNLNEEO-KRWDZBQOSA-N	324.189	1.423	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C	496831756	GDKANKBOIFUJQO-UHFFFAOYSA-N	317.323	1.151	50	20	DDGD	
COC(=O)N(C)N=Cc1c(C)nn(C)c1OCC(F)(F)F	495744639	HMKVUZCSSQYXSO-UHFFFAOYSA-N	308.260	1.702	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1C[C@@H]1c1cccc(F)c1	825795324	JZQSFNAMSMGIIC-WTDIUWLJSA-N	321.352	1.437	50	20	DDGD	
CCN(CCO)NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1	823838858	XPERLUDOCDGXNI-UHFFFAOYSA-N	323.393	1.993	50	20	DDGD	
C[C@]1(c2cccs2)C[C@H]1CNCc1ccccc1B(O)O	585024564	ZAFMMUYJWMQAKK-BBRMVZONSA-N	301.220	1.495	50	20	DDGD	
COC(=O)Nc1ccccc1C(=O)NNc1nccc(OC)n1	729263353	XHRKWTXEMGFTEF-UHFFFAOYSA-N	317.305	1.420	50	20	DDGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)C(N)=O)c(C)n1CC(C)C	490877417	LYSMUKLUXKYJAG-IWTIEGKHSA-N	316.405	1.658	50	20	DDGD	
Cc1c(NCc2ccc(B(O)O)cc2F)cnn1CCC(C)C	585033851	GXJCTDHDDMDUFF-UHFFFAOYSA-N	319.189	1.669	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)NOCC1CCC1	824048490	LDMQTAZWLXKVMH-UHFFFAOYSA-N	316.361	1.703	50	20	DDGD	
C/C=C/COc1cccc(CC(=O)NNC(=O)NCC2CC2)c1	822786354	OHZFPZNAUBCKMZ-NSCUHMNNSA-N	317.389	1.924	50	20	DDGD	
N#C/C(=C/c1ccc(C(F)(F)F)[nH]1)S(=O)(=O)NC1CC1	905075571	WZWUJDYMQVQZLB-UITAMQMPSA-N	305.281	1.980	50	20	DDGD	
Cc1cc(C(=O)NN(C)[C@@H](C)CO)ccc1Br	823939050	FIFNITPMTGCJJU-VIFPVBQESA-N	301.184	1.715	50	20	DDGD	
Cc1cc2c(cc1[N+](=O)[O-])N(CC(=O)NNC(=O)C(C)C)CC2	828624491	MRBPIELIVCQFOD-UHFFFAOYSA-N	320.349	1.069	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@@H](c2ccccc2)C1	827307698	UHQACNYUZWQFNI-CFVMTHIKSA-N	317.389	1.642	50	20	DDGD	
CCN(CCO)NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1	823852580	JWFZJSCOLAFGKA-NSHDSACASA-N	300.786	1.761	50	20	DDGD	
CC(C)c1[nH]nc(C(=O)NN(C)[C@@H](C)CO)c1Br	823959163	CCXFQGBWUCNTAL-ZETCQYMHSA-N	319.203	1.253	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC[C@H]1C1CCCC1	827314461	DDXJBZJDESHPLQ-YUTCNCBUSA-N	309.410	1.807	50	20	DDGD	
CN(NC(=O)c1ccc(NC(N)=O)cc1)C(=O)OC(C)(C)C	496119326	LBQQXYVWVPZHEK-UHFFFAOYSA-N	308.338	1.689	50	20	DDGD	
C#Cc1ccc(C(=O)NNc2ccc(Br)nc2)cn1	732836969	RMCNAOIXCQKGMW-UHFFFAOYSA-N	317.146	1.977	50	20	DDGD	
Cc1ccccc1C[C@H](CO)NC(=O)/C(C#N)=C/c1cnn(C)c1	491135150	SLSKEVSAVUDILB-DYFCPDHGSA-N	324.384	1.355	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@@H](C)C1CCN(C(=O)OC)CC1	492050186	YYTLLNSBLVWBOA-KBICQTFXSA-N	309.366	1.413	50	20	DDGD	
O=C(/C=C/c1ccc(O)cc1)NNC(=O)NCC(F)(F)F	492384798	GNBDIQBRTOCGKD-ZZXKWVIFSA-N	303.240	1.298	50	20	DDGD	
Cc1noc2nc(C3CC3)cc(C(=O)N3CC[C@@H](B(O)O)C3)c12	585068343	BASZSSOLTWKVBN-SNVBAGLBSA-N	315.138	1.098	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)/C=C/[C@@H]2CCOC2)cc1	492951832	GGRCKNIMXVPTAC-HVUAZKLTSA-N	305.334	1.441	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1cn(C)nc1-c1cccs1	588616145	UBQOYNOFVIVRHL-XFFZJAGNSA-N	322.415	1.904	50	20	DDGD	
COC[C@]1(CO)CCN(C(=O)[C@]2(C)C[C@H]2Br)C1	909367850	INXDDPXZAGIVBH-YUSALJHKSA-N	306.200	1.017	50	20	DDGD	
COc1cc(F)cc(C[C@H](C)NCc2ccccc2B(O)O)c1	585044744	RSODMHXRXZZNJJ-LBPRGKRZSA-N	317.169	1.235	50	20	DDGD	
COCCOc1ccc(CNC(=O)NNc2ccccc2)cn1	734268689	YOLDLTRXDLTJJZ-UHFFFAOYSA-N	316.361	1.933	50	20	DDGD	
Cn1ccnc1CNC(=O)NNC(=O)c1cccc2ncccc12	730128415	NWPZKQPJZVCVQV-UHFFFAOYSA-N	324.344	1.113	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCC[C@@H](N2CCCCC2=O)C1	732826826	IIMYDFHKDNEVLL-GFCCVEGCSA-N	324.425	1.250	50	20	DDGD	
CC(CCN1C(=O)c2ccccc2C1=O)=NNC(=O)C1CCC1	731936253	NSVDOCSFQROGBM-UHFFFAOYSA-N	313.357	1.965	50	20	DDGD	
O=C(N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)c1ccc(B(O)O)c(F)c1	584935777	XVLLJCUJTPKGQX-ZRTFPUAOSA-N	317.169	1.060	50	20	DDGD	
Cn1ccc2c(NC(=O)NNC(=O)[C@@H]3CCCCO3)cccc21	836364346	XUVBTWFPROPWKL-AWEZNQCLSA-N	316.361	1.900	50	20	DDGD	
OB(O)c1ccc(CN2CC[C@@H](Oc3cccc(Cl)c3)C2)o1	585049848	YCMXDAUQPAPZLX-CQSZACIVSA-N	321.569	1.266	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	831046977	JNQRTXIMBGOCGD-MFKMUULPSA-N	307.350	1.663	50	20	DDGD	
O=S(=O)(CCCCl)N1C[C@@H](O)[C@H](Cc2ccccc2)C1	908226910	LPDRBONIVKOAHZ-ZIAGYGMSSA-N	317.838	1.481	50	20	DDGD	
CC(C)C1(C)CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1	584975838	ZVCDXYBWCRJOOS-UHFFFAOYSA-N	307.174	1.404	50	20	DDGD	
O=C(C[C@H]1CCOC1)NNC(=O)C12CC3CC(CC(C3)C1)C2	739469788	CBBCQFWCFQQXEL-SFCYXTAJSA-N	306.406	1.777	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1ccc2c(c1)nnn2C	737430525	TZKBVMWQGDNMCT-UHFFFAOYSA-N	323.356	1.670	50	20	DDGD	
O=C(NN=Cc1cnc(N2CCCC2)nc1)c1ccccc1O	914771890	BAQFYPBMYRDOGV-UHFFFAOYSA-N	311.345	1.546	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)Cn1nc(C(F)F)cc1C1CC1	910181910	FNIDHMSGJYAOQG-MRVPVSSYSA-N	302.325	1.042	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cc(C)n(C)n2)cc1C	917908877	YDFZTJVMNFPJIQ-UHFFFAOYSA-N	316.361	1.185	50	20	DDGD	
COCCN(C)NC(=O)c1cnc(Br)c(OC)c1	837625285	LPRQHLAIHRDRSW-UHFFFAOYSA-N	318.171	1.076	50	20	DDGD	
Cn1ncc(C2CC2)c1C(=O)NNc1cccc([N+](=O)[O-])c1	830762433	PGWMKSBDRRAOJZ-UHFFFAOYSA-N	301.306	1.963	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCCCO2)nn1[C@@H](C)C1CC1	833243774	XHWUAMGHOPZFNT-SMDDNHRTSA-N	320.393	1.493	50	20	DDGD	
COC[C@@H](OC)C(=O)NNc1ccc(Br)c(F)c1	832357342	PMTJZKDOIYPRIB-SNVBAGLBSA-N	321.146	1.693	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1ccc(-c2ccncc2)cc1	833384847	NXVXNKSJHGCKAB-UHFFFAOYSA-N	312.329	1.856	50	20	DDGD	
C=C(CBr)CN1CCCC[C@@H]1CS(C)(=O)=O	831782247	HKXYDSXMTNEYJF-LLVKDONJSA-N	310.257	1.837	50	20	DDGD	
CCOc1ccc(C(=O)NN=C2CN3CCC2CC3)cc1OC	915049361	NXXXZNXYJRNXOC-UHFFFAOYSA-N	317.389	1.905	50	20	DDGD	
CC(C)(C)OC(=O)Cn1cccc1C=NNC(=O)NCC1CC1	841622430	ZVEIWAFFDWBEPW-UHFFFAOYSA-N	320.393	1.873	50	20	DDGD	
O=C(NC[C@@H]1CCCNC1)NNC(=O)c1cc2c(s1)CCC2	841926895	LQFXJHMBEJWVPT-SNVBAGLBSA-N	322.434	1.180	50	20	DDGD	
CC1(CNC(=O)NNC(=O)c2ccccc2F)CCNCC1	841970428	YMXSUDIFBWOEJZ-UHFFFAOYSA-N	308.357	1.159	50	20	DDGD	
COc1cc(C)cc(C(=O)NNc2ccnc(N(C)C)n2)c1O	740104085	CEUUGIUZMVHCLJ-UHFFFAOYSA-N	317.349	1.322	50	20	DDGD	
C[C@@H]1CCCc2ncc(C(=O)NNc3ccnc(N(C)C)n3)n21	846635787	VNKPIIHWPXQSRP-SNVBAGLBSA-N	315.381	1.393	50	20	DDGD	
CC(C)Nc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cn1	843970719	KDIHJOMDAQLFQH-ZYHUDNBSSA-N	306.366	1.088	50	20	DDGD	
CCOc1cc(C(=O)NNc2ccc(CC(=O)OC)cc2)on1	846375739	JALKNJFWXHBBOW-UHFFFAOYSA-N	319.317	1.546	50	20	DDGD	
COC[C@H](C)CC(=O)Nc1cccc(NC(=O)NN(C)C)c1	843870400	DZWJQXJZHPORHV-LLVKDONJSA-N	308.382	1.896	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1ccc(N(C)C)cc1	740762288	JUVOUVIDEYNMEW-UHFFFAOYSA-N	318.421	1.898	50	20	DDGD	
CO[C@H](C=NNC(=O)CNc1ccccc1F)[C@H]1CCOC1	841605164	XFXQEEYAASJXCM-SMDDNHRTSA-N	309.341	1.391	50	20	DDGD	
C[C@@]1(C(=O)NCCCCS(C)(=O)=O)C[C@@H]1Br	911278475	OJFGBCDRVQUESP-WCBMZHEXSA-N	312.229	1.101	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@H]1CCCS1(=O)=O	847669626	JCOFIUSWFJQPRV-CYBMUJFWSA-N	319.386	1.564	50	20	DDGD	
O=C(CCCNC(=O)NNc1ccc(F)c(F)c1)NC1CC1	914167382	MMGQONFXZZTATO-UHFFFAOYSA-N	312.320	1.650	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1ncccn1)c1ccc(C)cc1	841594279	SMDSSXRMBKOKFN-ZDUSSCGKSA-N	313.361	1.880	50	20	DDGD	
CC(=NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1cc(C(=O)O)ccc1O	844611921	NYYUROMVEVCFPD-MPKXVKKWSA-N	318.329	1.498	50	20	DDGD	
CCOC(=O)C1(CNC(=O)NNc2ccc(C)nn2)CCC1	741091223	CCQGHPHGWMVPQN-UHFFFAOYSA-N	307.354	1.145	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CC[C@H]2CCCO2)cc1C	914749046	XWAPUVVOMHEDEJ-CQSZACIVSA-N	320.389	1.789	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc([C@H]2CCOC2)c1	843657205	BSVHSUZAYMIOJZ-TUKIKUTGSA-N	318.373	1.377	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)Cc1csc(-c2nc[nH]n2)n1	848080970	IRQNMZQQSYVIFX-UHFFFAOYSA-N	320.205	1.733	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)C1CC(F)(F)C1	848321529	VYKUVFSTVBRDJT-UHFFFAOYSA-N	307.098	1.728	50	20	DDGD	
Cc1cccc2c1C(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)CC2	841620242	GARHYGKDWFIJFF-LBPRGKRZSA-N	321.402	1.132	50	20	DDGD	
O=C(NNc1ncccc1F)[C@@H]1CCO[C@H]1c1ccncc1	846126315	VMZKMPWSSRBDTL-YPMHNXCESA-N	302.309	1.837	50	20	DDGD	
O=C(O)COc1cccc(C=NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)c1	844611275	IAVXFGHHGFAIRY-HZSPNIEDSA-N	318.329	1.168	50	20	DDGD	
O=C(NCCC1=CCCCCC1)NNC(=O)c1ncccn1	841583539	QYIYJGSVQOMLJF-UHFFFAOYSA-N	303.366	1.701	50	20	DDGD	
C[C@H](CCc1cccn1C)NC(=O)NNC(=O)C1CCCC1	745874829	FPXASYKKSDOOHH-GFCCVEGCSA-N	306.410	1.867	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1	747585149	HIRLBNPOLMCRKY-RRFJBIMHSA-N	316.405	1.923	50	20	DDGD	
Cc1nsc(NC2CC2)c1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843970373	FEHIXXCUKFQDLY-WPRPVWTQSA-N	324.406	1.212	50	20	DDGD	
Cn1cc(C=NNC(=O)c2cccc(Br)c2)cn1	741768212	VKDBMNKWWOBJJK-UHFFFAOYSA-N	307.151	1.947	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1sccc1OC(F)F	843650317	BBEBFPNKZWFYNV-BQBZGAKWSA-N	320.317	1.536	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@]12CCCc1ccccc12)c1ncccn1	841350678	QKIJPCOUFQDBEZ-KSSFIOAISA-N	322.368	1.532	50	20	DDGD	
O=C(O)c1cc(C=NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)ccc1O	844607834	AYSBEFBIQQDJDM-IRUJWGPZSA-N	304.302	1.108	50	20	DDGD	
CNC(=O)NCC(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846378025	ATLCTNNDQLKIPX-UHFFFAOYSA-N	324.690	1.731	50	20	DDGD	
O=C(NN=Cc1cc(Cl)c2c(c1)OCO2)C(=O)N1CCCC1	748136469	KAOKVPUBIIMGIN-UHFFFAOYSA-N	323.736	1.141	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(OCC2CC2)cc1	843644643	CTAQQTISQFSWTF-IAQYHMDHSA-N	318.373	1.661	50	20	DDGD	
CC(=NNC(=O)NCC1CC1)c1ccc(N2CCOCC2)cc1	920830763	MMBMESLNRWPKPN-UHFFFAOYSA-N	316.405	1.956	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCCN(C)C(=O)OC(C)(C)C	854926410	ZCDLCBWHXXASAM-UHFFFAOYSA-N	318.443	1.101	50	20	DDGD	
CC(F)(F)CC(=O)NNC(=O)c1cc(Br)c[nH]1	757798699	DKYPBGYIDSMJDP-UHFFFAOYSA-N	310.098	1.584	50	20	DDGD	
Cc1nnc(CC(=O)NC[C@]2(C)C[C@H]2Br)s1	857735275	ZGXRFCXGEMBXFZ-XCBNKYQSSA-N	304.213	1.679	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cc2nn[nH]c2cc1F)C1CC1	855098222	CHSXZERRHPUNCN-ZCFIWIBFSA-N	322.369	1.004	50	20	DDGD	
COc1ccc(C(=O)NN=C2CCCN(C)CC2)cc1OC	758092071	FWKHEPZJSSDMEE-UHFFFAOYSA-N	305.378	1.905	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NN=C[C@@H]1CCCOC1	853372916	DGCHNVSSPPETFO-BFHYXJOUSA-N	320.393	1.416	50	20	DDGD	
CCC(=O)c1cc(C(=O)NNC(=O)c2c[nH]nc2C)ccc1F	756980166	IBCCQUGUSNZYDP-UHFFFAOYSA-N	318.308	1.525	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@H](CO)CC2)C[C@H]1Br	856958901	PJVSMJLESHSTNT-DMDPSCGWSA-N	319.243	1.964	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccccc1OCCn1ccnc1	756470477	QNSZEVUAINDYRI-UHFFFAOYSA-N	317.349	1.525	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCO2)c1cncc(F)c1	759109048	JODGVMOFENYQSZ-UHFFFAOYSA-N	303.249	1.024	50	20	DDGD	
COC(=O)NNC(=O)c1ccc2[nH]c3c(c2c1)CN(C)CC3	856756867	GXCFGCIOTSOKKY-UHFFFAOYSA-N	302.334	1.157	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCc1ncccn1)c1ccccc1	852621335	UWEHLZZXGNPYIR-CYBMUJFWSA-N	313.361	1.501	50	20	DDGD	
CCS(=O)(=O)CC(=O)OC[C@@H](CBr)C1CC1	859517969	IUAQFQVOTOQXHH-SECBINFHSA-N	313.213	1.385	50	20	DDGD	
Cc1csc(C=NNC(=O)[C@H](C)CN2C[C@H](C)O[C@H](C)C2)n1	755588407	RJUAIBSXUWOVAN-RTXFEEFZSA-N	324.450	1.647	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2C[C@@H]2C2CC2)cc1OC	751211427	QLYDUVLSCCAKLF-VXGBXAGGSA-N	304.346	1.511	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cnn3ccccc23)nc1	759725057	KIMNGOBSIODADE-UHFFFAOYSA-N	311.301	1.273	50	20	DDGD	
CC(C)N1CCC(C(=O)NNC(=O)c2cccc(Cl)n2)CC1	857326569	XQOCQUSKLBRMDA-UHFFFAOYSA-N	324.812	1.616	50	20	DDGD	
CCc1nn(C)c(CC)c1C=NNC(=O)Cc1cc(C)[nH]n1	755627200	KDUHYFDWRVWLFO-UHFFFAOYSA-N	302.382	1.269	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)Nc1cnns1	755332590	AXSBWQCGIZILST-UHFFFAOYSA-N	321.362	1.332	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)C[C@@H]1CSCCS1)C1CC1	752312971	JQGPTKQPZBWOTL-PSASIEDQSA-N	319.521	1.519	50	20	DDGD	
CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)NNC(=O)C(C)(C)C	852084102	QAGVWTSBYQYCQO-BMIGLBTASA-N	313.398	1.485	50	20	DDGD	
CC[C@@H](CN1CCCC1)NC(=O)NNC(=O)c1cccc(F)n1	853853228	DXJMUPZNWZPQAA-NSHDSACASA-N	323.372	1.039	50	20	DDGD	
CCn1ccnc1C=NNC(=O)[C@@H](C)CN1CCC(C)CC1	755584101	JCMGEAGRULPHFX-AWEZNQCLSA-N	305.426	1.721	50	20	DDGD	
C[C@@H](C(=O)NNc1ccccc1S(C)(=O)=O)c1cnn(C)c1	750236777	SILCGKOUCWZBJV-SNVBAGLBSA-N	322.390	1.070	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@]2(C3CCCC3)CCNC2=O)n1	862517388	NPNWDSQZPKXIBW-MRXNPFEDSA-N	302.378	1.530	50	20	DDGD	
CSc1cccc(C)c1NC(=O)NNC(=O)[C@H]1CCC(=O)N1	860953721	OOAYETABBZQKTN-SECBINFHSA-N	322.390	1.148	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1ccc([N+](=O)[O-])o1	863090802	ZQEJFYSNYZVZAO-UHFFFAOYSA-N	303.143	1.620	50	20	DDGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cc[n+]([O-])cc1	761591513	QCSGOSAWLNDFHT-UHFFFAOYSA-N	313.235	1.976	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NN=Cc2cnc(C3CC3)o2)c1	863103778	KBXHJYGTLPWHTQ-UHFFFAOYSA-N	313.317	1.669	50	20	DDGD	
COc1c(Cl)cccc1NC(=O)C(=O)NNC(=O)C(C)C	763820700	MZQWFBQDDOJCEQ-UHFFFAOYSA-N	313.741	1.091	50	20	DDGD	
CO[C@H](C)C(C)=NNC(=O)c1nn(C)c(=O)c2ccccc12	763142761	ZNLPFRWLTPPGTD-SNVBAGLBSA-N	302.334	1.074	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2ccc(F)c(Cl)c2Cl)N1	863153728	ZYDCGVMHKTYEBW-MRVPVSSYSA-N	318.135	1.861	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccnc(N2CCCCC2)c1	934089006	ZEKCYQZJQZMSFV-UHFFFAOYSA-N	307.354	1.807	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C	765314509	KYAAVAXYAKUMNZ-DZGCQCFKSA-N	318.421	1.493	50	20	DDGD	
CC(CCCCO)=NNC(=O)C1CCN(c2ncccn2)CC1	766703518	LAGMQHJNIOIATP-UHFFFAOYSA-N	319.409	1.348	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H]2CCC(=O)N2)c(C)n1CC(C)C	863146689	UEBAYRMYTLTDBD-AWEZNQCLSA-N	304.394	1.490	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NNc1nc2ccccc2[nH]c1=S	862293785	PSRAFWLAERXIGG-JGVFFNPUSA-N	318.358	1.545	50	20	DDGD	
O=C(NNc1ccc(F)cc1)Nc1ccc(-n2cnnn2)cc1	769933323	XKLYQXWGGPATJI-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@H]1CC12CCOCC2	766673879	LDDKNASCRDQXNK-SECBINFHSA-N	304.375	1.951	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1ccc(CC(=O)O)cc1	863178085	AQGYGZWWTOIWLC-NTEUORMPSA-N	302.330	1.373	50	20	DDGD	
C[C@H]1CC[C@@H](NC(=O)NNC(=O)c2c[nH]c3ccccc23)CN1	861685803	QJAOPEJHXGACIA-WDEREUQCSA-N	315.377	1.252	50	20	DDGD	
CC(C)(C)OC(=O)CCC(=O)NNC(=O)NC1CCCCC1	765186124	RIMFNMHBWCEJBB-UHFFFAOYSA-N	313.398	1.771	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(F)c1Cl)[C@@H](C)S(C)(=O)=O	862506525	AWXUASFSGUEJQJ-JGVFFNPUSA-N	322.789	1.991	50	20	DDGD	
CCSCc1cccc(NC(=O)C(=O)NNC(=O)CC)c1	763442802	CKJWJPHTABMEBK-UHFFFAOYSA-N	309.391	1.436	50	20	DDGD	
CC(C)[C@H](NC=O)C(=O)NNc1ccc(OC(F)F)cc1	860324287	BGYLWYCXBMXPPK-NSHDSACASA-N	301.293	1.502	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNc2ccccc2S(C)(=O)=O)CCC1=O	764219665	QNKQAPOYJKZTTG-MNOVXSKESA-N	324.402	1.539	50	20	DDGD	
CNc1c(C(=O)NNC(=O)CC(C)(C)C)cccc1[N+](=O)[O-]	765853130	SQUAWFAERRDGQV-UHFFFAOYSA-N	308.338	1.834	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H]1c1ncccn1	878976959	XZIJRXZDVNCEMZ-CHWSQXEVSA-N	319.409	1.196	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)C1(F)CCCC1	772204649	ZYBRYOZKNIIXRO-UHFFFAOYSA-N	312.366	1.914	50	20	DDGD	
COCCOCC(=O)NN=C1C(=O)Nc2ccc(C(C)C)cc21	872403390	XOJPMSQYRWGUNS-UHFFFAOYSA-N	319.361	1.245	50	20	DDGD	
CS[C@H](C)CCC(=O)NNC(=O)COc1ccccc1O	773340858	IDPXLHUPJKSNBK-SNVBAGLBSA-N	312.391	1.450	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc(NC=O)cc2)n1	771585849	FIUBQNCAFOKKOE-UHFFFAOYSA-N	305.725	1.764	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NNC(=O)OC)cc1C(C)C	872332354	JATPOHHZAJMEDI-UHFFFAOYSA-N	316.379	1.758	50	20	DDGD	
C[C@]1(CNC(=O)C23CCCN2CCC3)C[C@@H]1Br	1118787617	FGPQJSKBUJDPAK-CMPLNLGQSA-N	301.228	1.905	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ccc(F)cn2)CCCC1	874651829	VIZYVNANXKZISV-UHFFFAOYSA-N	301.343	1.021	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NNc1cc(Cl)ccn1	778650258	MZWMEZCTABYXJW-UHFFFAOYSA-N	320.740	1.030	50	20	DDGD	
CC(=NNC(=O)C(=O)NCc1ccc(Cl)cc1)[C@@H]1CCOC1	771572756	NMSNKPKLLBONJI-GFCCVEGCSA-N	323.780	1.485	50	20	DDGD	
CC(=NNC(=O)CO)c1ccc(O)c(CN2CCCCC2)c1	776777292	NONAWBCLDKPBJD-UHFFFAOYSA-N	305.378	1.211	50	20	DDGD	
COCc1ccc(C=NNC(=O)CCN2CCC(C)CC2)o1	1116290805	SPMSZLMWXKGVKG-UHFFFAOYSA-N	307.394	1.998	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@@H](F)Cc1ccccc1	777978107	SLXOPGVJSUEWPB-ZDUSSCGKSA-N	309.410	1.863	50	20	DDGD	
CCOc1ccccc1NC(=O)NNC(=O)C1CCOCC1	877948957	PFBKXNVPBFLVQC-UHFFFAOYSA-N	307.350	1.665	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@@H]1CCc2cc(O)ccc2C1	775086411	SYKUVRPUZJVOGZ-GFCCVEGCSA-N	321.377	1.988	50	20	DDGD	
COC(=O)CNC(=O)NN=C/C=C/c1ccccc1[N+](=O)[O-]	779821201	PWFXYAFUTLKBJN-XSLJXCHSSA-N	306.278	1.066	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21	779768220	IZUKFVKWOCPLMF-KBAYOESNSA-N	324.380	1.955	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@H]1CCn2ccnc2C1	779665305	IOVJKGXASNCWMU-NSHDSACASA-N	303.341	1.972	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(O[C@@H]2CCOC2)cc1	887148015	KXRHTESTTZBKFQ-OAHLLOKOSA-N	316.357	1.419	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1ccc(OCCOC)cc1	887148362	YWEDTKRJOGOCER-UHFFFAOYSA-N	318.373	1.205	50	20	DDGD	
CCOC(=O)C(F)(F)[C@H]1CCCC(=NNC(=O)C(C)(C)O)C1	785465130	BORHVZRLDBWANG-VIFPVBQESA-N	320.336	1.618	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@@]1(CO)C[C@@H]1c1ccccc1	882204271	LVKUFJYJJRBSSJ-ZIAGYGMSSA-N	317.838	1.701	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(N(C)C(=O)NC)cc1	887272391	MQXYVFOESHUETD-ZHACJKMWSA-N	302.334	1.845	50	20	DDGD	
CO[C@@H]1C[C@H](NC(=O)NNc2ccc(C#N)cn2)C12CCC2	889228512	RZIQQPVHHUZKAA-NWDGAFQWSA-N	301.350	1.537	50	20	DDGD	
COc1cc(C=NNC(=O)C(F)F)ccc1OCCC(=O)O	783861165	LJFYADQSRYZZHZ-UHFFFAOYSA-N	316.260	1.264	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cccnc2C)cc1	783035057	NUOHROVXGDFEQU-UHFFFAOYSA-N	300.318	1.480	50	20	DDGD	
CCCNC(=O)c1ccc(NC(=O)NNC(=O)C(C)C)cc1	782558379	MCETVMVICYQAEU-UHFFFAOYSA-N	306.366	1.635	50	20	DDGD	
C/C=C(\CC)C(=O)OCC(=O)NNC(=O)Cc1ccccc1C	789232975	DGJSLAYQQTUYMW-YIXHJXPBSA-N	318.373	1.584	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CCCC(=O)NC(C)C	780737070	DPHHWIZUXQDZCG-UHFFFAOYSA-N	321.377	1.611	50	20	DDGD	
CN(NC(=O)C(=O)Nc1cnn(C(F)F)c1)c1ccccc1	783424567	GPACFSBWKXCOGA-UHFFFAOYSA-N	309.276	1.384	50	20	DDGD	
CCC(=NNC(=O)c1ccc(OC)c(OC)c1)c1cn[nH]c1	788951633	QLMIDIIJDUQLCO-UHFFFAOYSA-N	302.334	1.971	50	20	DDGD	
COCCn1cc(C(=O)NNC(=O)c2ccccc2C)c(C)n1	782537961	PEEPPUHRNCWNHK-UHFFFAOYSA-N	316.361	1.221	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NN=Cc3cnc(N)nc3)n[nH]2)cc1	781590362	YMPAPDCPWKYDDD-UHFFFAOYSA-N	321.344	1.521	50	20	DDGD	
CCn1c(NNC(=O)CCC(C)(C)O)nc2ccccc2c1=O	786826983	CAAIJGBPYFEPFN-UHFFFAOYSA-N	318.377	1.411	50	20	DDGD	
CCc1cnccc1[C@H](C)NCC(=O)NNC(=O)C(C)(C)C	783015054	CKGZVELGPHOCSS-NSHDSACASA-N	306.410	1.488	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cn(C)nc1-c1ccccc1	782607338	JILTWCMTMPHWIZ-UHFFFAOYSA-N	301.350	1.896	50	20	DDGD	
C[C@@H](CN1CCCCCC1)C(=O)NN=Cc1cnc(N)nc1	781584817	AIICWIOINKVIOJ-LBPRGKRZSA-N	304.398	1.021	50	20	DDGD	
COC(=O)[C@H](NNC(=O)c1ccccc1OC)c1ccsc1	788399089	CWJVPNBKDFXGSU-CYBMUJFWSA-N	320.370	1.905	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Cc1ccn(CC(F)(F)F)n1	894255968	WJJGFZCFRZFGMO-UHFFFAOYSA-N	320.315	1.572	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc(N(C)C)c(F)c2)n1	794071343	CSUVPHSRXFKPNP-UHFFFAOYSA-N	316.336	1.670	50	20	DDGD	
CC(C)[C@@H]1CCCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)C1	794508420	OODRKKVFXAOVGU-GHMZBOCLSA-N	303.428	1.243	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC(C)=C(Br)C1	797527135	JOULPTAXZYHTKO-VIFPVBQESA-N	318.215	1.307	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)OCCC[C@@H](C)O)cc(C#N)n1C	795420498	PJXKXFPRUIIXLK-LLUUXILJSA-N	301.346	1.816	50	20	DDGD	
C[C@H](CBr)CN1C[C@H](N2CCOCC2)C[C@@H]1C	796373503	BABAXPMNDSEHCS-FRRDWIJNSA-N	305.260	1.812	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C2=NO[C@@H](c3ccccc3)C2)n1	794079713	DNEQFVGLOSTKQL-OAHLLOKOSA-N	324.340	1.669	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(=O)c2ccc(F)cc2o1	795624551	GKGKYBYQWQIWNR-UHFFFAOYSA-N	307.281	1.286	50	20	DDGD	
COc1ccc(/C=C(\C#N)S(N)(=O)=O)cc1OCCCC#N	799894083	NJUOPOMZIGJJKL-XYOKQWHBSA-N	321.358	1.531	50	20	DDGD	
COc1cccnc1NC(=O)NNC(=O)c1cccc(C)n1	797643875	KQWBDBJDLZFFII-UHFFFAOYSA-N	301.306	1.260	50	20	DDGD	
Cc1cccnc1NNC(=O)NC1CCN(CC(F)F)CC1	791019992	KICYTPRLRAGULE-UHFFFAOYSA-N	313.352	1.746	50	20	DDGD	
CC(C)c1[nH]ccc1C(=O)NNC(=O)c1ccc2c(c1)OCO2	794608804	MSPKIRKRKNSHDE-UHFFFAOYSA-N	315.329	1.942	50	20	DDGD	
CC(C)c1ncc(C(=O)NNc2nc(-c3cccnc3)no2)[nH]1	1318799608	DCHUYYNINUDYEV-UHFFFAOYSA-N	313.321	1.735	50	20	DDGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC(OCC(N)=O)CC1	1319338764	MMIOIRHIKSSFMV-WCSRMQSCSA-N	303.337	1.656	50	20	DDGD	
Cc1cc(C(=O)N2CC[C@@H](B(O)O)C2)ccc1Br	585065689	JLGWDSPOOPIEMT-SNVBAGLBSA-N	311.972	1.446	50	20	DDGD	
O=C(/C=C/[C@H]1CCOC1)NNc1cncc(Br)c1	1324487533	XHHZOIKAEJJROK-VWCDRPFISA-N	312.167	1.880	50	20	DDGD	
O=C(CCc1ccncn1)NNc1cncc(Br)c1	1321923449	AVVYFWQEVLRCQE-UHFFFAOYSA-N	322.166	1.710	50	20	DDGD	
C[S@](=O)c1ccc(NC(=O)NNC(=O)OC(C)(C)C)cc1	1320742519	YRBHUOKTEFMWSG-NRFANRHFSA-N	313.379	1.985	50	20	DDGD	
CCCOc1ccc2[nH]cc(C=NNC(=O)C(=O)OC)c2c1	1323285924	MFXFRPOOBADRPI-UHFFFAOYSA-N	303.318	1.580	50	20	DDGD	
CCOC1CC(CC(=O)NNC(=O)c2ccc(OC)cc2)C1	1324467673	LKBKRVNXQQHATJ-UHFFFAOYSA-N	306.362	1.661	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1c(C)nc2sccn12	1339892131	NJOSVTKAVRAZQK-LLVKDONJSA-N	324.406	1.596	50	20	DDGD	
CCc1cc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])nn1C	1339533813	VABBKMBKDLDZDX-UHFFFAOYSA-N	307.285	1.787	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccc(F)cc1F	1332471446	VVKBHJZUTVBGLP-YGOYTEALSA-N	312.316	1.641	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@H]2C[C@@H]2F)cc1F	1349797367	DNCGLUAEPOOQGC-YUMQZZPRSA-N	301.318	1.510	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)N2CCCCCC2)C[C@H]1Br	1347965610	PESRFLWPFIWURP-MFKMUULPSA-N	317.227	1.679	50	20	DDGD	
C[C@]1(COC(=O)c2ccn3nnnc3c2)C[C@@H]1Br	1263537012	JBWOIYAIVCHVRG-GZMMTYOYSA-N	311.139	1.455	50	20	DDGD	
Cc1csc(CCCNC(=O)NN=c2cc[nH]c(C)c2)n1	1352485061	IQEQNCSHAOIRHY-UHFFFAOYSA-N	305.407	1.836	50	20	DDGD	
CCC/C=C\[C@@H](O)C(=O)NNc1cccc(-c2nn[nH]n2)c1	1604157201	XOPVGUXGZBMYEM-HXUAIIEXSA-N	302.338	1.027	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNc2ccc(C(=O)O)cc2OC)O1	1609945924	GPVMYRXDIXECFR-JQWIXIFHSA-N	308.334	1.794	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccc2c(C(=O)O)c[nH]c2c1	1608292254	LUETVHOIOLOSFV-UHFFFAOYSA-N	316.317	1.819	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@H]2COc3ccccc3O2)c1	1602447482	DQJKMIYFWATDDE-AWEZNQCLSA-N	314.297	1.668	50	20	DDGD	
CC[C@H]1C[C@H](C(=O)NNc2ccc(CC(=O)O)cc2)CCO1	1605150690	DTYWTEBKFPAEID-OCCSQVGLSA-N	306.362	1.962	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1csc(Cl)n1	1609559346	YSCLMPAWOWYERP-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
O=C(C[C@@H]1CCC2(CCC2)O1)NNc1ccc(C(=O)O)cn1	1601250622	RHYXRAKULWIZIF-NSHDSACASA-N	305.334	1.715	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1609316784	OAXKTWSNKXCLLB-VHSXEESVSA-N	304.354	1.228	50	20	DDGD	
Cc1nn(C)cc1CCC(=O)NNc1ccccc1C(=O)O	1608003201	MHKYDUXLWYZERM-UHFFFAOYSA-N	302.334	1.503	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)Nc1c(C(=O)O)cnn1C	1600430674	BQYNOUQFLMFDEM-UHFFFAOYSA-N	307.285	1.714	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)[C@@H]1C[C@H]1c1ccco1	1606858351	QWYNJXQFYRUCHV-NXEZZACHSA-N	311.305	1.102	50	20	DDGD	
Cc1noc2ncc(C(=O)NNc3cccc(C(=O)O)c3)cc12	1608029754	XQFUSNSFAWADFB-UHFFFAOYSA-N	312.285	1.986	50	20	DDGD	
O=C(CNC(=O)C1CCCCC1)NNc1ccccc1C(=O)O	1608337506	GZAAGLVNXAQVAW-UHFFFAOYSA-N	319.361	1.524	50	20	DDGD	
O=C(O)Cc1occc1C(=O)NNC(=O)NCc1ccccc1	1608794204	NOXSIHVBDQRTCD-UHFFFAOYSA-N	317.301	1.051	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)nc1)[C@H]1CN2CCC[C@@H]2CO1	1549317388	KWUDSIPBRVPIJP-VXGBXAGGSA-N	308.769	1.048	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C[C@H](N)C(C)(C)C)cc1	1579228529	PWWRUMYVTLVJOT-LBPRGKRZSA-N	308.382	1.611	50	20	DDGD	
CC[C@@H](C)Oc1cc(C(=O)NNC(=O)CCCCCN)ccn1	1577002531	IFPOHESMRPMRRU-GFCCVEGCSA-N	322.409	1.539	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H]1CCCC[C@@H]1N	1579309489	FHAPDBOZAPEOGP-MNOVXSKESA-N	322.434	1.530	50	20	DDGD	
CC(C)C[C@@H]1C[C@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1	1589656556	VUGKTKPRRATDNT-DGCLKSJQSA-N	300.366	1.992	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@@H]1F	1847865050	ARYPIZAOAYASKJ-BNDIWNMDSA-N	316.804	1.954	50	20	DDGD	
CC(=O)N[C@@H](CCC(C)C)C(=O)NNc1ccc(C(=O)O)cn1	1589115175	FZWZDRRHRYSEKJ-LBPRGKRZSA-N	322.365	1.164	50	20	DDGD	
N#CCc1ccccc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1592681228	YTFLKFFUULYBTK-UHFFFAOYSA-N	319.328	1.690	50	20	DDGD	
Cn1nc(C(=O)O)cc1C(=O)NNc1cc(F)cc(F)c1F	1594568363	LRCQBALREYXKKC-UHFFFAOYSA-N	314.223	1.293	50	20	DDGD	
Cc1[nH]c(C(=O)O)c(C)c1C(=O)NNC(=O)OCC(F)(F)F	1599957521	VYSHGBALAXADBT-UHFFFAOYSA-N	323.227	1.263	50	20	DDGD	
Cc1cc(NNC(=O)Nc2cccc(CC(=O)O)c2)nc(N)n1	1594325245	KSUYYAMOFAOYCP-UHFFFAOYSA-N	316.321	1.143	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](CC(=O)O)c1ccc(OC)cc1	1596864983	YRYNZBRBYTXICW-GAJOTYCWSA-N	318.329	1.771	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NN=Cc1ccc(C(=O)O)cc1	1776098362	IFBXNHGZWFCTNN-CYBMUJFWSA-N	303.362	1.708	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NN=Cc1ccc(/C=C\C(=O)O)o1	1776098622	QZHXOEMZFDYYOJ-JGAYQDRYSA-N	319.361	1.700	50	20	DDGD	
Nc1ccc(C(=O)NN=Cc2ccc(CCC(=O)O)o2)cc1	1776014865	IZBUQEBKTFPHRS-UHFFFAOYSA-N	301.302	1.643	50	20	DDGD	
O=C(C(Cl)Cl)N1CC[C@]2(C1)CN(C(=O)C1CC1)CCO2	1783953256	YAKILMPPUKRLIF-ZDUSSCGKSA-N	321.204	1.030	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=S)NC(C)(C)C)c(C)c1	14895088	BIBNJMYSTRDYSV-UHFFFAOYSA-N	309.435	1.976	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)COc2ccccc2C#N)cc1	15978478	KXUXNAUTOCVKKQ-UHFFFAOYSA-N	320.308	1.270	50	20	DDGD	
O=C(NNc1ncccn1)Nc1cnn(Cc2ccccc2)c1	160809833	NDIRLLYDNPCADT-UHFFFAOYSA-N	309.333	1.870	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)COC/C=C/c1ccccc1	153233053	GSTIBJJSZHXTPJ-VMPITWQZSA-N	314.345	1.209	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1nc(=O)[nH][nH]1	153414163	HUFAHYCEXPQNDQ-UHFFFAOYSA-N	305.191	1.013	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNc2ncnc3nc[nH]c23)c1	156246114	DOLVNFOBGCWASQ-JTQLQIEISA-N	312.333	1.572	50	20	DDGD	
C=CCOc1ccccc1C(=O)NNc1ncnc2nc[nH]c12	156256898	JKBWMIDOUQVNPG-UHFFFAOYSA-N	310.317	1.675	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)C2=CCCCC2)nc2ccccc21	154331217	RHILJJZJKVVZLK-UHFFFAOYSA-N	312.373	1.764	50	20	DDGD	
CSCC[C@@H](N)C(=O)NNc1nc(-c2ccccc2)no1	157996398	MYNPKEQNOGPEOQ-SNVBAGLBSA-N	307.379	1.260	50	20	DDGD	
CC(C)(C)OC(=O)NC[C@H]1CCCN1S(=O)(=O)CCl	830738739	IGHAWPBSIBWKHZ-SECBINFHSA-N	312.819	1.502	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(NS(=O)(=O)CCCCl)C1	881903379	MWJDXWZWEIQEOQ-UHFFFAOYSA-N	312.819	1.154	50	20	DDGD	
CCNC(=S)NNC(=O)c1ccc(COc2ccccc2)o1	6447185	BYSHTXJXRWXNRX-UHFFFAOYSA-N	319.386	1.987	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)c2cocn2)cc1	104835898	BZOVITOZISNFNM-UHFFFAOYSA-N	306.347	1.705	50	20	DDGD	
CC[C@H](C)N(C)CCNC(=O)NNC(=O)c1cccc(C#N)c1	103615596	SXIBQNBMYZRAHE-LBPRGKRZSA-N	317.393	1.233	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1ccc(F)c(F)c1	22638536	JZEDTOLRMLTGJR-UHFFFAOYSA-N	324.258	1.944	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2	106007164	WFEHRALVZQAORW-NXEZZACHSA-N	312.391	1.366	50	20	DDGD	
Cc1noc(C)c1[C@H](C)C(=O)NNC(=O)CNc1ccccc1	104830085	BHDBCJVGEFAGLF-JTQLQIEISA-N	316.361	1.654	50	20	DDGD	
CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)c1cnn(C)c1	176761706	UHDBLZPXSIBRLJ-AWEZNQCLSA-N	316.361	1.347	50	20	DDGD	
Cc1ccc(OCCCC(=O)NNC(=O)NCC2CC2)cc1	65197431	XPDCYYQQIFALRE-UHFFFAOYSA-N	305.378	1.894	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc(OCC(F)(F)F)cc1	63269645	YFPBWXUDOPQJRY-UHFFFAOYSA-N	319.283	1.980	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCc1ccc(C)cc1C	65206571	OKIMHYMAUOTNJO-UHFFFAOYSA-N	307.394	1.603	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CCS(=O)(=O)C1CCCC1	61219905	MBPWCNWCOIEXQK-UHFFFAOYSA-N	320.411	1.290	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)COC[C@H]1CCCO1)c1ccccc1	111630493	YQLFXLZJWBNPRF-HUUCEWRRSA-N	320.389	1.523	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)N[C@@H]1CCOC1	178783585	WBLQGZAEIXGGNQ-DLUQRMLASA-N	321.421	1.712	50	20	DDGD	
CCOCCCN1CCC(=NNC(=O)c2cccnn2)[C@H](C)C1	1353080777	QZZXYOMSFRAEBL-CYBMUJFWSA-N	319.409	1.331	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1	65190762	HVVJZLHGXVGKFJ-UHFFFAOYSA-N	321.337	1.159	50	20	DDGD	
Cc1ccc(O[C@@H](C)CNC(=O)NNC(=O)c2ccc[nH]2)cc1	173222602	QOEDXVZKKISLHS-LBPRGKRZSA-N	316.361	1.735	50	20	DDGD	
CCSc1cc(C(=O)NNC(=O)NCCCOC)ccn1	65204618	AZRQAMLUNFOZJM-UHFFFAOYSA-N	312.395	1.174	50	20	DDGD	
CCCCCS(=O)(=O)CC(=O)NNc1nc(C)cc(C)n1	171093473	BWSUSTQJZSKMJD-UHFFFAOYSA-N	314.411	1.142	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2ncccc2C)c1	174943177	LGVPDLCFIGPSCE-UHFFFAOYSA-N	313.357	1.847	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)c1cc(Cl)ccc1O	66897994	BIFBRKFVSRCPBH-SECBINFHSA-N	312.753	1.788	50	20	DDGD	
CCN1C[C@H](C(=O)NNc2cc(F)c(F)cc2F)CC1=O	172086727	UUBNVZVTXLEKDJ-SSDOTTSWSA-N	301.268	1.415	50	20	DDGD	
C[C@@H](NS(=O)(=O)CBr)c1cccc([N+](=O)[O-])c1	127321689	AWMJTQSKMLONHZ-SSDOTTSWSA-N	323.168	1.928	50	20	DDGD	
O=C(NCC1(c2ccccc2)CCC1)NNC(=O)[C@@H]1CCCO1	121811418	FLLOJXIVESNJEH-AWEZNQCLSA-N	317.389	1.618	50	20	DDGD	
COc1ccc(CCC(=O)NNc2ncc(F)cn2)cc1F	122671522	WHVIVLKSMBBOKT-UHFFFAOYSA-N	308.288	1.839	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)Cc2ccncc2)cc(O)n1	121589283	MPJUMRWQOOWHSR-UHFFFAOYSA-N	314.345	1.309	50	20	DDGD	
CCCCCOCC(=O)NNC(=O)COc1cccc(C)c1	122133065	OPHUTDPMSCBRNG-UHFFFAOYSA-N	308.378	1.728	50	20	DDGD	
CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NNc1ccncc1	183010180	HLGFLPCDBILSFI-MRXNPFEDSA-N	310.357	1.498	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)[C@@H]1CC=CCC1	125676596	WVLMJCCGWOQRRZ-LLVKDONJSA-N	306.387	1.988	50	20	DDGD	
CCCOc1ccc(NC(=O)NNC(=O)Cc2cc[nH]n2)cc1	183470944	QRGCCSLDOXGDDN-UHFFFAOYSA-N	317.349	1.594	50	20	DDGD	
O=C(NCC(F)F)NNC(=O)c1cccc(Br)c1	73148863	IJSNTARHEYSQDS-UHFFFAOYSA-N	322.109	1.658	50	20	DDGD	
C[C@@H]1Cc2ccccc2N1CCNC(=O)NNc1cccnn1	77574979	GPBSBUKJGRYCBE-GFCCVEGCSA-N	312.377	1.554	50	20	DDGD	
CSc1nc(C)c(CCC(=O)NNc2ncccn2)c(C)n1	123993494	VUIUFWUAXPQWOS-UHFFFAOYSA-N	318.406	1.681	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC2(C1)OCCO2	188411630	WBBLMJHMRMEDJV-UKTHLTGXSA-N	300.314	1.275	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNC(=O)c1c[nH]nc1C	121663338	MSPRQSIQZGLALH-ZJUUUORDSA-N	304.375	1.653	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C(C)C)N2CCCC2=O)nc(C)n1	129042479	QZLKBWVAUJGXET-CQSZACIVSA-N	305.382	1.184	50	20	DDGD	
Nc1cc(C(=O)NNc2nnc(C3CC3)s2)cc(Cl)n1	184484622	PTSGJBZXHBIZNT-UHFFFAOYSA-N	310.770	1.803	50	20	DDGD	
CC(=O)CCCC(=O)NNC(=O)c1ccc(Cl)cc1F	187647168	MEHZVPVBAQJAHV-UHFFFAOYSA-N	300.717	1.999	50	20	DDGD	
CC1(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CCCCC1	122296853	NSWDTLKXJXZPRJ-AWEZNQCLSA-N	318.373	1.944	50	20	DDGD	
CCC[C@H]1C[C@@H](C(=O)NNC(=S)Nc2ccccn2)CCO1	180485039	ZDNUWEJBNZHMCH-RYUDHWBXSA-N	322.434	1.995	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCCc1ccc(C)s1	79685868	VHZSLJBGWZYOCR-UHFFFAOYSA-N	313.423	1.746	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccc2ccccc2n1	120801336	DIQTZILFNXSABW-UHFFFAOYSA-N	306.325	1.634	50	20	DDGD	
Cc1nccc(CNC(=O)NNC(=O)c2c[nH]c3ccccc23)n1	79469453	ITWCZUDCHUQAOC-UHFFFAOYSA-N	324.344	1.411	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1csc([N+](=O)[O-])c1	120184110	PIRJPAZETMFURU-LURJTMIESA-N	307.353	1.012	50	20	DDGD	
COc1cccc(NNC(=O)NCc2nc(C)c(C)s2)n1	181369054	VUMMMQDWKTZPIX-UHFFFAOYSA-N	307.379	1.990	50	20	DDGD	
CCN1CCO[C@@H](C(=O)NNc2ccc3ccccc3n2)C1	181088949	UKHIJUAQUXYOBQ-CQSZACIVSA-N	300.362	1.399	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccncc2)cc1NS(C)(=O)=O	180518254	IUGCRKZFTKIOTB-UHFFFAOYSA-N	320.374	1.518	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2c(O)nnc(C)c2C)cc1	75506465	ZMUPZTDRNSRLLG-UHFFFAOYSA-N	314.345	1.436	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(COC(C)C)cc1	139661301	KXNCHFNDTVJSTL-UHFFFAOYSA-N	323.393	1.592	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)C(=O)c1ccccc1	194023214	LYCSLOLVHCRONC-UHFFFAOYSA-N	300.289	1.399	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCC(F)(F)F)cc(C)c1F	134347319	PBPBTBGRFDWTOY-UHFFFAOYSA-N	307.247	1.949	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)C[C@H]2CCC[C@@H](C)C2)n1	133932710	VUNAVWYKEQAEKJ-RISCZKNCSA-N	306.410	1.864	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc(C(=O)N(C)C)c2)o1	84284744	CHFUSIFEQUWVMF-UHFFFAOYSA-N	315.329	1.365	50	20	DDGD	
C=CCOc1cccnc1C(=O)NNc1cc(Cl)nc(N)n1	133990957	BAGNWWYLHZAGLS-UHFFFAOYSA-N	320.740	1.429	50	20	DDGD	
CC[C@@H](C)CC(=O)NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1	191579531	BXGSYATVEIRBRP-SECBINFHSA-N	320.397	1.754	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CC2CCCC2)cc1[N+](=O)[O-]	195214848	YIQZCHTYKYHPKK-UHFFFAOYSA-N	321.333	1.945	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1ncc(Cl)cc1Cl	132972194	GRAWDUPIGMRPMZ-UHFFFAOYSA-N	321.164	1.968	50	20	DDGD	
CC(=O)CC(C)(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	191655679	SWAMXSMDFNVXOD-UHFFFAOYSA-N	321.333	1.751	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2ccc(Cl)cc2F)no1	81029631	USSKXXTWEQATRJ-UHFFFAOYSA-N	311.700	1.779	50	20	DDGD	
Cc1ccnc(NNC(=O)c2cn(Cc3ccccc3)nn2)c1	88422119	SZCQGRDSXGWWNV-UHFFFAOYSA-N	308.345	1.787	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccc(C#N)cc1)c1cccnc1	140157140	JQAGYZYZNACNEJ-LLVKDONJSA-N	309.329	1.658	50	20	DDGD	
O=C(CCOCC(F)F)NNC(=O)c1cccc([N+](=O)[O-])c1	190215373	IMACZXXURKYBIB-UHFFFAOYSA-N	317.248	1.028	50	20	DDGD	
Cc1noc(C)c1CNC(=O)NNC(=O)c1ccccc1O	148375448	RLYDRDGJQMDQCA-UHFFFAOYSA-N	304.306	1.141	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)COc2cccc(C)c2)O1	268317402	JSYXYTBFGQKPAM-TZMCWYRMSA-N	306.362	1.479	50	20	DDGD	
Cc1noc2nc(C3CC3)cc(C(=O)NNc3cccnn3)c12	265544103	ODMNGQGWIJASHD-UHFFFAOYSA-N	310.317	1.956	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccccc1F)N1CCCCCC1	265022531	RDEUXQIJZONTGH-LBPRGKRZSA-N	307.369	1.851	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@@H]1CCN(C2CC2)C1	265429869	MOZNBJZRHWAZOH-ZDUSSCGKSA-N	324.856	1.953	50	20	DDGD	
O=C(CCc1nc(C2CCCC2)no1)NNc1cccnn1	268693656	JAJRTUWQHBSRMK-UHFFFAOYSA-N	302.338	1.593	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCCCC2)c1nc[nH]n1	269651406	ZMPCTCKCCVISOW-UHFFFAOYSA-N	305.363	1.210	50	20	DDGD	
CSCc1noc(CCC(=O)NNC(=O)OC(C)(C)C)n1	269457463	FESSFKCNCWASIY-UHFFFAOYSA-N	316.383	1.421	50	20	DDGD	
CCOCCC(=O)NNC(=O)[C@H](C)Oc1ccc(OCC)cc1	263961876	KNYDEOPOUIJKBO-LBPRGKRZSA-N	324.377	1.427	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCOC3(CCC3)C2)o1	269348551	QZOSIOWDEOWVEN-NSHDSACASA-N	307.350	1.634	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)c(O)c1	368080429	CLXSKVHFDVGQRF-COPLHBTASA-N	304.346	1.277	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCC[C@@H]1CCCCO1	272587353	QLGCPZMLKZOJQB-LBPRGKRZSA-N	321.377	1.598	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	279737000	WPNKSOQNPZZIGP-UWVGGRQHSA-N	319.317	1.361	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN[C@H](CC)C(=O)OC	279914041	VVGCZOFJKVQPCL-LLVKDONJSA-N	310.350	1.037	50	20	DDGD	
C=CCN(CC(=C)CBr)[C@@H]1CCS(=O)(=O)C1	279685797	HJIVTDAXKVNKLL-LLVKDONJSA-N	308.241	1.613	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1cnn(-c2ccccc2)n1	273994485	MIUNVCPZBIAOEN-UHFFFAOYSA-N	302.338	1.466	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(C#N)cn1C(C)(C)C	274290425	YLJDSBSTQNEIMX-UHFFFAOYSA-N	306.370	1.813	50	20	DDGD	
CCCn1nc(C)c(C(=O)NNC(=O)c2cccc(C)n2)c1C	279857118	UOLRIDNCYFFKLP-UHFFFAOYSA-N	315.377	1.688	50	20	DDGD	
CC(=O)N1CC[C@@](C)(C(=O)NNc2cc(F)c(F)c(F)c2)C1	371836996	NOZCNFOLLWLFDA-CQSZACIVSA-N	315.295	1.806	50	20	DDGD	
COc1cc(OC)c(OC)cc1NC(=O)NNC(=O)CC1CC1	273391195	DOXCGUMKTUANLK-UHFFFAOYSA-N	323.349	1.665	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@@H]1CCCC12CCOCC2	374416110	PZJNVZODDKXZGZ-CQSZACIVSA-N	317.389	1.980	50	20	DDGD	
Cn1nncc1C(=O)NNC(=O)c1cc2c(s1)CCCCC2	281459419	FMVXPQDOFLACRK-UHFFFAOYSA-N	319.390	1.220	50	20	DDGD	
CC1(C)CC[C@H]1NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	287944022	GDXBJYJHLVAWTF-LLVKDONJSA-N	306.322	1.727	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)C(=O)NNC(=O)NCC(F)(F)F	281335023	UJXITUKPDKMEDB-YFKPBYRVSA-N	307.276	1.023	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1cc(Cl)ccc1F	284274436	LPRCXPCZCHPHDK-UHFFFAOYSA-N	309.750	1.334	50	20	DDGD	
C[C@H]1CCC[C@H](NC(=O)NNc2ccc(-n3ccnc3)nn2)C1	286468430	BKRMZGVNEMWCCY-RYUDHWBXSA-N	315.381	1.867	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H]2CCOC(C)(C)C2)n1	280302550	OGWOPTUUMSFNMW-NSHDSACASA-N	306.366	1.292	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cscc1Br	285118194	MLMYUHYUQJQZMF-UHFFFAOYSA-N	306.185	1.863	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc(Cl)nc1C	288532978	OHTCYRVDGIFMLX-ZETCQYMHSA-N	305.787	1.399	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCCO1	294529430	FTBJAOVNLFEXLS-YKWSONSWSA-N	303.293	1.059	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H]2CC(=O)N(CCOC)C2)cc1	294255902	HJCOUAMAYDVOEI-GFCCVEGCSA-N	321.377	1.023	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CC[C@@H]2CCCO2)cc1	802052477	QYCIENYTOSQQKH-ZDUSSCGKSA-N	307.350	1.807	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2ccc3c(n2)CCC3)n1	296827489	RKWQUOQTGZVDGA-UHFFFAOYSA-N	311.345	1.740	50	20	DDGD	
COc1ccccc1C(=O)NNS(=O)(=O)CCCCF	296114150	XZDJZLUXGCKMII-UHFFFAOYSA-N	304.343	1.009	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NNc2cccc(F)n2)cc1	806164602	XXCNXZLCPDBBCP-UHFFFAOYSA-N	303.297	1.729	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)c2ccsn2)o1	294620281	SQLWAQFHDWZKLK-UHFFFAOYSA-N	322.390	1.653	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccncn1)NC(=O)C1CCCCC1	295614947	ZEPCIPIIDXIUBR-NSHDSACASA-N	305.382	1.395	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)Nc1ccc(OC)cc1	802055669	QNEGDFFTFSZRMW-MFKMUULPSA-N	309.366	1.909	50	20	DDGD	
C[C@]1(CNC(=O)NNc2ncccn2)OCCc2sccc21	293510856	ZNZFELBPABTQSP-CQSZACIVSA-N	319.390	1.652	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)CCc1cccc(Cl)c1	296051385	OQBOBZXPMXTZBR-UHFFFAOYSA-N	306.771	1.415	50	20	DDGD	
COc1cc(C(=O)NNC(=O)N=c2cc[nH]cc2)ccc1F	802028130	KZHQOVHELMTURN-UHFFFAOYSA-N	304.281	1.118	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)C(C)(C)F)cc1	291184704	KWIIDWUEPJBAFV-UHFFFAOYSA-N	303.359	1.128	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)C[C@H]2CCCC(=O)N2)o1	809639341	KWOXSJYTJJJFDK-SECBINFHSA-N	305.338	1.172	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)[C@@H]2CCCO2)c2ccccc2O1	298223203	VZCOCXFLCLTUQK-QKCSRTOESA-N	319.361	1.408	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CCc1cncnc1)c1ccccc1	292274699	XEXWDFFXWWFZSI-UHFFFAOYSA-N	312.373	1.534	50	20	DDGD	
O=C(Cc1cccc(F)c1)NCC(=O)NNc1cccc(F)n1	804770670	MYDCOWMTQXKFMX-UHFFFAOYSA-N	320.299	1.162	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H]1CC(c2c(F)cccc2F)=NO1	294305543	XEYZWCYMYCVRRN-GFCCVEGCSA-N	323.299	1.405	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1occc1-c1ccccc1	299330547	BUKDHRGAFSBORD-UHFFFAOYSA-N	315.329	1.633	50	20	DDGD	
CCc1ccc(O)c(C(=O)NNc2ccc(-n3ccnc3)nn2)c1	804958109	JFSKAWIXIWVRFE-UHFFFAOYSA-N	324.344	1.687	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)CCc2ccc(C)s2)n1	809979204	QCTRMXQBIMHUJJ-UHFFFAOYSA-N	320.418	1.650	50	20	DDGD	
Cc1cccc(NC(=O)NCC(=O)NNc2ncncc2F)c1	817078960	BPGYIHXRLREDOR-UHFFFAOYSA-N	318.312	1.189	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cc(Cl)c(F)cc1O	814865657	VPGKANAPCUYULT-QMMMGPOBSA-N	318.732	1.686	50	20	DDGD	
COc1ccc(/C=C(/C)C(=O)NNc2cnnn2C)cc1F	816772046	KXTGDOPWSHRGSW-TWGQIWQCSA-N	305.313	1.509	50	20	DDGD	
C[C@@H]1C(=NNC(=O)COc2ccccc2O)CC[C@H]1CC(=O)O	814953994	YKGIUWQNTOZJJS-QWRGUYRKSA-N	320.345	1.764	50	20	DDGD	
O=C(Cc1cncc(O)c1)NNC(=O)c1cccc(Cl)c1	816807135	YFOPATOXAOBGLW-UHFFFAOYSA-N	305.721	1.444	50	20	DDGD	
CC(C)N(C)c1ccc(C=NNC(=O)N=c2cc[nH]cc2)cn1	815001504	MKYLFILXYANBLE-UHFFFAOYSA-N	312.377	1.899	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1cc2cc(Br)ccc2[nH]1	816632982	IGJXDOMHLMXBBH-UHFFFAOYSA-N	321.138	1.805	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)CSc1ccccc1O)C1CCC1	813502173	NBRRPLGEPLZOJY-OAHLLOKOSA-N	324.402	1.183	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2ccncc2)cn1	726893576	JHQJMHXHDBHKLY-UHFFFAOYSA-N	303.347	1.117	50	20	DDGD	
CN(NC(=O)NNC(=O)c1cccc(C#N)c1)c1ccccc1	728953550	QXKDJSTZTFLMRH-UHFFFAOYSA-N	309.329	1.554	50	20	DDGD	
CCCN1CC[C@H](NC(=O)NNc2cccc(C(=O)OC)c2)C1	823049403	RCOVPDDWWSUGHL-AWEZNQCLSA-N	320.393	1.584	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC2CC2)c(-n2cccc2)s1	823767281	FBABEWIGRAUPOS-UHFFFAOYSA-N	304.375	1.954	50	20	DDGD	
O=C(NN=Cc1cnn(-c2ccc(F)cc2)c1)c1cnccn1	728174401	PMGCEDPRIJXQDA-UHFFFAOYSA-N	310.292	1.565	50	20	DDGD	
O=C(C[C@@H]1CC[C@@H]2C[C@@H]12)NNC(=O)c1ccc2c(c1)OCO2	822192656	WHYODGBUAYWXIN-JFGNBEQYSA-N	302.330	1.613	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cn2cc(C3CC3)cn2)n1	829483452	YPABSXBNRXBPAT-UHFFFAOYSA-N	302.338	1.011	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)O[C@@H](C(N)=O)C(C)C)cc1	725914078	QCHIWMUZNGEMQG-CEFACKQISA-N	302.330	1.655	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@H](O)Cc1ccccc1Cl	495535095	XLHYQESVTWXBHW-LLVKDONJSA-N	314.769	1.799	50	20	DDGD	
Cc1nc(C(=O)NN(C)[C@@H](C)CO)c(Br)s1	823923548	SNFBLEVWDWQVPA-YFKPBYRVSA-N	308.201	1.171	50	20	DDGD	
CC(C)C(=O)NNC(=O)CNC1(c2nccs2)CCCC1	828348924	LYEBNIRRCZQRSO-UHFFFAOYSA-N	310.423	1.305	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)/C=C/[C@@H]2CCOC2)c1F	493685341	KKOMCXULBISLLB-BRAIEQGRSA-N	308.309	1.648	50	20	DDGD	
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NN(C)[C@@H](C)CO	823934040	AJMMXTJDPQKTSL-AAEUAGOBSA-N	309.366	1.507	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)N[C@@H]1CCC1(C)C	495641994	RLQGOANJLCOVEG-SECBINFHSA-N	314.386	1.030	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCc1ccc(C(N)=O)o1	490840871	HHPPRPOSKPGQDR-YRNVUSSQSA-N	313.288	1.741	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)c1sccc1-c1nn[nH]n1	826446595	REHBKEPUJTZSAT-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
C=CCOc1ccc(/C=C/C(=O)NN(C)[C@H](C)CO)cc1OC	823988427	SCDHWTGIBIGBQY-BUUCAEBMSA-N	320.389	1.617	50	20	DDGD	
O=C(NN=c1nc(-c2cccnc2)[nH]o1)OCC(F)(F)F	491342029	MUQIGWUCYXULSS-UHFFFAOYSA-N	303.200	1.169	50	20	DDGD	
COC[C@H](C)OC(=O)/C(C#N)=C/c1cc(-c2nn[nH]n2)cs1	821682801	NXMCFAAFGGOKPR-FVKOELHVSA-N	319.346	1.413	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@H](CC2CCCC2)C1	584976987	ODUROLGDWUCMHP-CYBMUJFWSA-N	319.185	1.548	50	20	DDGD	
C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)NN(C)C(N)=O)C1	495542800	DYRVRWIQJFRKIR-ZJUUUORDSA-N	314.386	1.064	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H](c1c(F)cccc1Cl)N(C)C	495821834	BBPURNAFUKMDFB-LLVKDONJSA-N	317.748	1.811	50	20	DDGD	
COC[C@@H](C)C(C)=NNC(=O)c1cccc(-c2nn[nH]n2)c1	826148535	KSFINRVRKBRUOC-SECBINFHSA-N	302.338	1.255	50	20	DDGD	
COc1nccnc1NNC(=O)[C@]1(C)CCOc2ccccc21	822871112	FMKFUODZWQPQKP-MRXNPFEDSA-N	314.345	1.669	50	20	DDGD	
C[C@](O)(CNCc1ccccc1B(O)O)c1ccccc1Cl	585036682	OJXYPYUUXVCGIS-INIZCTEOSA-N	319.597	1.017	50	20	DDGD	
CC(C)(C)c1noc2ncc(C(=O)N3CC[C@H](B(O)O)C3)cc12	585076055	KTQFELCABSKZPO-JTQLQIEISA-N	317.154	1.209	50	20	DDGD	
COCCN(C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C	496782510	VWCYUWPBVFRMJM-LLVKDONJSA-N	317.430	1.535	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccn2cc(C)nc2c1	821492036	KMPCMSCDGDFBCA-UHFFFAOYSA-N	323.447	1.115	50	20	DDGD	
O=C(NN=C1CC[C@@H]2COCC[C@@H]2C1)[C@@H]1CN2CCC[C@@H]2CO1	901262350	FQQUDFVNHJMMQV-XOUADPBQSA-N	321.421	1.158	50	20	DDGD	
CN(C)c1ncn(-c2cccc(NC(=O)NN(C)C3CC3)c2)n1	824294068	IWRIIUHLGPCYFD-UHFFFAOYSA-N	315.381	1.464	50	20	DDGD	
COc1ccc([C@H](C)NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	825808390	VKGVZFPTXYNPTD-MISXGVKJSA-N	321.377	1.512	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2CCC[C@H]2Oc2ccccc2)c1	585024268	WAASZTPKYCAYIU-QZTJIDSGSA-N	311.190	1.456	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCOc1ccc([N+](=O)[O-])cc1	731684853	LDDRBBDLBZVYHU-UHFFFAOYSA-N	324.337	1.350	50	20	DDGD	
OB(O)c1ccc(CNCC2(c3c(F)cccc3F)CC2)o1	585033371	BNGXKIHXDLPVCD-UHFFFAOYSA-N	307.105	1.059	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccn(C)c1	496999981	PASIUEXYQQXOLS-CYBMUJFWSA-N	318.377	1.392	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@@H](CO)CC2CCCCC2)cn1	491080670	DPIPDMLAZYLXDZ-UBYXTUIOSA-N	316.405	1.775	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(OC)cc1C(=O)OC	490752766	FMZIWNLXPKTBRE-KTKRTIGZSA-N	304.302	1.864	50	20	DDGD	
CCCNC(=O)NNC(=O)C1(CNC(=O)OC(C)(C)C)CC1	495429220	GOSBPJXVOLZTEQ-UHFFFAOYSA-N	314.386	1.032	50	20	DDGD	
CC[C@@](NS(=O)(=O)CCl)(C(=O)OC)c1ccccc1	830419475	VCTBLUZSIBMZBM-LBPRGKRZSA-N	305.783	1.581	50	20	DDGD	
CCC(=O)NN=C(C)c1ccc(S(=O)(=O)C(F)F)cc1	735224948	XYOHUODJGQGXSZ-UHFFFAOYSA-N	304.318	1.933	50	20	DDGD	
CCc1nc[nH]c1C(=O)NNC(=O)c1cc2c(s1)CCC2	905114398	MWPQGHQOFGQBCR-UHFFFAOYSA-N	304.375	1.597	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)NOC1CCC1	836287275	ZEJLBJOAVZYWMF-UHFFFAOYSA-N	302.334	1.456	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)CNc2ccccc2F)c2nccn21	834921675	XQKPNJUWTNZDRW-SNVBAGLBSA-N	301.325	1.919	50	20	DDGD	
C[C@@H](C(=O)O)n1cccc1C=NNC(=O)NCc1ccco1	833406250	MCGFTQXLUNLCAY-JTQLQIEISA-N	304.306	1.560	50	20	DDGD	
C=C[C@@H](CC)CC(=O)OCC(=O)NNC(=O)c1ccccc1	909534320	YDSXYGVZARSVTP-LBPRGKRZSA-N	304.346	1.593	50	20	DDGD	
COc1ccc2c(c1F)NC(=O)C2=NNC(=O)NC1CCCC1	834950943	OUPFRYZGZTTZMN-UHFFFAOYSA-N	320.324	1.732	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1cnn(CC2CC2)c1	836437368	ARSXWQAZVQONNZ-LBPRGKRZSA-N	307.354	1.015	50	20	DDGD	
C[C@@]1(C(=O)NCCC2(O)CCOCC2)C[C@H]1Br	908134042	LVQPMTGEPHGSQQ-MWLCHTKSSA-N	306.200	1.208	50	20	DDGD	
CC[C@@H]1C[C@H]1CNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	838665967	SPURLCUKDJJUCJ-KOLCDFICSA-N	306.322	1.585	50	20	DDGD	
C[C@H](NC(=O)[C@]1(C)C[C@@H]1Br)c1nnnn1C1CC1	907712444	HGZSDKLULBHJLK-GEOGLEFRSA-N	314.187	1.359	50	20	DDGD	
CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NNC(C)=O)O[C@@H](C)C2	730585571	YOUOEFKQURYRGR-DUFXMDAXSA-N	318.373	1.680	50	20	DDGD	
Cc1nn(CCC(=O)O)c(C)c1C=NNC(=O)c1ccccn1	738922913	NTZIAQCDVKGADQ-UHFFFAOYSA-N	315.333	1.134	50	20	DDGD	
CC(C)(C)NC(=O)CCNC(=O)[C@@]1(C)C[C@@H]1Br	906542997	AXZPHWWKTFZGNA-UFBFGSQYSA-N	305.216	1.581	50	20	DDGD	
O=C(O)NNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1	738658409	CIADTXBBSCNLOZ-UHFFFAOYSA-N	323.312	1.847	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)CC1	831933175	XWPXNUWGJNLJNM-UHFFFAOYSA-N	311.288	1.877	50	20	DDGD	
C=CCN1CC[C@H](N(C)C(=O)[C@]2(C)C[C@H]2Br)C1=O	907959769	LCQLNJYECMULRD-OPQQBVKSSA-N	315.211	1.405	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc(F)c(C#N)c1	831427555	UBZIKRPDTCEHFA-LDYMZIIASA-N	306.297	1.275	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2	837405902	DCFYSYOUVXLSNN-MVWJERBFSA-N	302.330	1.071	50	20	DDGD	
O=C(N[C@@H]1CCC[C@H]2CCCC[C@H]21)c1cc(B(O)O)ccc1F	584992288	JLTXXIHRPOGBFF-AXAPSJFSSA-N	319.185	1.594	50	20	DDGD	
CN(C)Cc1ccc(NCc2ccc(B(O)O)cc2)cc1F	585016639	TXUUMUGLDOMTTJ-UHFFFAOYSA-N	302.158	1.179	50	20	DDGD	
COC(=O)C1CCC(NC(=O)NNC(=O)c2ccccc2)CC1	730129999	FRMCOYCKPGTJMR-UHFFFAOYSA-N	319.361	1.362	50	20	DDGD	
C[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]2CCCC[C@@H]21	584929208	OOVHMLVSQJYXDV-WQVCFCJDSA-N	301.195	1.407	50	20	DDGD	
C[C@@H]1CC[C@@H](C)C(=NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1	834944048	JUFRZAHLAWNMBQ-MXWKQRLJSA-N	301.412	1.285	50	20	DDGD	
Cn1ccc2c(NC(=O)NNC(=O)[C@H]3CCCCO3)cccc21	836364347	XUVBTWFPROPWKL-CQSZACIVSA-N	316.361	1.900	50	20	DDGD	
N#CSCCCNS(=O)(=O)c1c(F)cc(C#N)cc1F	916979326	LALGYUOWNCAUQH-UHFFFAOYSA-N	317.342	1.719	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1CCC[C@H](SCC)C1	748969115	YKNANNDUNCVCLO-QWRGUYRKSA-N	303.428	1.418	50	20	DDGD	
C[C@H](O)c1ccc(CNC(=O)NNC(=O)CC(F)(F)F)cc1	749348443	NYCZSWIMQOIXSG-QMMMGPOBSA-N	319.283	1.523	50	20	DDGD	
Cc1ccc(C(=O)NNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)c(O)c1	917585337	WUECGLJEURJFBE-GMXVVIOVSA-N	319.430	1.998	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=Cc1cnn(CC)n1	841606625	JQRDBLMHNBRMFC-UHFFFAOYSA-N	317.349	1.226	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2cc[n+]([O-])cc2)c1	913425428	FRLRTCLPOQFEGO-UHFFFAOYSA-N	316.386	1.568	50	20	DDGD	
CO[C@]1(C=NNC(=O)COc2cc(C)ccc2C)CCOC1	841607325	VMKCHIZPJMIEFF-INIZCTEOSA-N	306.362	1.590	50	20	DDGD	
CCn1nc(C)c(CNC(=O)[C@]2(C)C[C@H]2Br)n1	911279890	QATRPSWHLOKGNS-MWLCHTKSSA-N	301.188	1.396	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNC(=O)COc1cccc(C)c1	841376316	RXBOZVAOOSFELZ-CQSZACIVSA-N	308.378	1.582	50	20	DDGD	
CCC(=NNC(=O)C[n+]1ccccc1)c1ccc2c(c1)CCO2	915935500	QDNOCRBDOYCRTL-UHFFFAOYSA-O	310.377	1.840	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1coc2ccccc12	746566621	UDVZEDGTZSFRPK-ZDUSSCGKSA-N	315.373	1.851	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1Cc2ccc(Cl)cc2C1	748260861	ZDZNKYJNZIAATB-SNVBAGLBSA-N	310.781	1.962	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@H](C)CN2CCCCC2)c(O)c1	914693970	VVMARAZKGPENMT-CYBMUJFWSA-N	319.405	1.973	50	20	DDGD	
Cc1ccc(NNC(=O)c2ccc(CS(C)(=O)=O)o2)cc1	749201436	GWHMNQHHVUSFGH-UHFFFAOYSA-N	308.359	1.890	50	20	DDGD	
Cc1c(C(=O)NCC(Cl)Cl)nnn1Cc1ccncc1	848384173	BNSNFYKMJOVSDP-UHFFFAOYSA-N	314.176	1.563	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1sc(C)nc1C	740762380	ODMSDROZORLVLI-UHFFFAOYSA-N	310.423	1.905	50	20	DDGD	
CCCC[C@@H](CN)NC(=O)NNC(=O)Nc1ccc(OC)cc1	841958468	IACHIELFOBCFTQ-LBPRGKRZSA-N	323.397	1.548	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cnn1CC(C)C	843980355	UDZJBTJARMHJHE-RYUDHWBXSA-N	308.382	1.034	50	20	DDGD	
CCOC(=O)Cc1cnc(N/C=C(\C#N)C(=O)OCC)s1	840729385	NZDIWRBTEPEYFR-VQHVLOKHSA-N	309.347	1.631	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cc(F)ccc1OC	842578142	UWUTZJFJGSFCPR-QMMMGPOBSA-N	304.343	1.190	50	20	DDGD	
C=C[C@H](C)ONC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	845639134	OIFMDTGNYZHPFZ-VHSXEESVSA-N	311.313	1.430	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NNC(=O)NCC1CC1	746166638	BSFWBFWARKODNT-UHFFFAOYSA-N	313.789	1.093	50	20	DDGD	
CC(=NNC(=O)CSc1nc(C)cc(C)n1)c1ncccn1	841602271	DDSARSSRESRZDR-UHFFFAOYSA-N	316.390	1.516	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@]1(C)CCCNC1	841972476	IHIXZLFQHQLODW-MRXNPFEDSA-N	320.393	1.029	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)CN2[C@@H](C)CC[C@@H]2C)o1	746184766	MPOGOBFVGSHIEZ-QWRGUYRKSA-N	305.382	1.986	50	20	DDGD	
CC/C=C(\C)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	744550081	XLFHGRDJUMZKOV-WUXMJOGZSA-N	304.346	1.656	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cn(C)c2ccccc12)[C@H](C)O	842225167	TVICRSGQNFHIHZ-QWRGUYRKSA-N	303.362	1.346	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1cn(C2CCOCC2)nn1	848083329	UWNCOWIPZUFJGC-UHFFFAOYSA-N	307.181	1.505	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2cc([N+](=O)[O-])c[nH]2)o1	746524488	ZASXFWGOZQQXJB-UHFFFAOYSA-N	304.266	1.663	50	20	DDGD	
C[C@H]1CN(CC(=O)NNC(=O)c2cccc(C#N)c2)C(C)(C)C1	756549714	ILJADGAJKZPRKF-GFCCVEGCSA-N	314.389	1.440	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)C[C@@H]2CCCC[C@H]2C)n1	920430166	NEEPKUZAPZJFKK-RISCZKNCSA-N	306.410	1.864	50	20	DDGD	
CCc1nc(CNC(=O)NC[C@@]2(C)C[C@H]2Br)n[nH]1	856907932	IHPACKOPFLSNDF-RDDDGLTNSA-N	316.203	1.340	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1cc(C#N)cs1	752800129	KEIDZJXCIKLFIK-UHFFFAOYSA-N	321.383	1.780	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)CC(C)(C)C1CC1	854285978	SZBKCYDEPOVDEN-UHFFFAOYSA-N	301.456	1.687	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@@H]1CCCc2nn[nH]c21	854389146	FLJMDRNCFLBKDX-GFCCVEGCSA-N	324.344	1.209	50	20	DDGD	
COc1cccc(C=NNC(=O)CNC(=O)c2cccs2)c1	750945291	KJFRREVGAFTVEA-UHFFFAOYSA-N	317.370	1.637	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)/C=C/c1cncc(O)c1)C1CC1	855099267	VTLPONSCFRUTSX-OSOUNJMWSA-N	306.391	1.094	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(Cl)cn1CC	922972176	UWBAMMITBOTSGF-MRVPVSSYSA-N	315.757	1.264	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cnc2c(c1)c(C)nn2C	755847143	KVUJOUCMASZVOP-MRVPVSSYSA-N	304.354	1.476	50	20	DDGD	
CC[C@@H]1CN(C(=O)NC[C@]2(C)C[C@@H]2Br)CC[C@H]1N	857106051	YFNQYVZGJVFYSC-DCQANWLSSA-N	318.259	1.929	50	20	DDGD	
CC1CCN(C(=O)C(=O)NC[C@]2(C)C[C@@H]2Br)CC1	857091353	HNRQOTOBOGERSA-GWCFXTLKSA-N	317.227	1.535	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cc(Cl)cs2)n1	757779596	BBZGPOQBUQAEHG-UHFFFAOYSA-N	312.782	1.676	50	20	DDGD	
C[C@@](O)(CNC(=O)NNC(=O)C1CCCC1)c1cccs1	753356300	XBMDAKQEUNLXMP-CQSZACIVSA-N	311.407	1.476	50	20	DDGD	
C[C@]1(CNS(=O)(=O)C[C@@H]2CCOC2)C[C@@H]1Br	856754080	BZQPDTHUTYOXRV-KXUCPTDWSA-N	312.229	1.116	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)NNC(=S)N[C@@H](C)C2CC2)c1C	855102690	MEWUUFGNHAGUGZ-QMMMGPOBSA-N	322.434	1.742	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@H]2C=NNC(=O)N2CCOCC2)cn1	853297024	WVCPDNZJSRHGAW-GXTWGEPZSA-N	321.381	1.008	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)NC[C@]1(O)CCOC1	755220520	FKESGCNHCHJPPJ-DGCLKSJQSA-N	305.465	1.968	50	20	DDGD	
COc1cccc(-c2cc(C(=O)NNC(=O)C(C)C)on2)c1	858143289	JFULTZLRUZEQOC-UHFFFAOYSA-N	303.318	1.767	50	20	DDGD	
CCOc1nc2sccn2c1C=NNC(=O)c1ccccn1	753921577	LBQDTOARRXBGJJ-UHFFFAOYSA-N	315.358	1.953	50	20	DDGD	
C=C[C@H](C)NC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O	756975405	XXVOXFLPULPDON-JTQLQIEISA-N	315.333	1.096	50	20	DDGD	
CC(C)C1(C(=O)NNC(=O)C(C)(C)c2ccccc2)COC1	932373431	YOQOSWQBGMTLPF-UHFFFAOYSA-N	304.390	1.784	50	20	DDGD	
CC(C)n1ccc(CC(=O)NNc2ncccc2[N+](=O)[O-])n1	759303954	VGPJBWRPLKPHBR-UHFFFAOYSA-N	304.310	1.453	50	20	DDGD	
Cc1cc(=NNC(=O)c2csc([C@H]3CCCO3)n2)cc[nH]1	862514516	PEUYVGKBWUSBGW-GFCCVEGCSA-N	304.375	1.877	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@]2(C)CCOc3ccccc32)n[nH]1	935140059	JOYNFTLFPBRKKF-MRXNPFEDSA-N	314.345	1.220	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CCC(=O)N2)ccc1OC(C)C	863147002	WOTNXTYOHHQFKT-GFCCVEGCSA-N	319.361	1.211	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNc3ncc(F)cn3)(CC1)C2	760486819	OQNKHGNPBPFYCK-UHFFFAOYSA-N	308.313	1.182	50	20	DDGD	
C[C@H](Oc1cccnc1)C(=O)NNC(=S)Nc1ccccn1	768578033	KPTTVIFTZUYTGH-JTQLQIEISA-N	317.374	1.262	50	20	DDGD	
CN(C)c1c(C=NNC(=O)C(=O)N2CCCC2)ccc(F)c1F	863085410	BHGYHXPPZRGXLO-UHFFFAOYSA-N	324.331	1.103	50	20	DDGD	
CC(C)(C)c1ccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1	860233380	KXVQQLPJWHNRCJ-LBPRGKRZSA-N	318.377	1.415	50	20	DDGD	
COCCOc1ccc(CC(=O)NN[C@@H](C)C(F)(F)F)cc1	862317969	NWBABNMWYATSQR-JTQLQIEISA-N	320.311	1.826	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(F)c(Cl)c1)S(C)(=O)=O	863080528	DNZXLAFGCSSKLA-UHFFFAOYSA-N	308.762	1.745	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2ccc(F)c(C(F)(F)F)c2)N1	863148069	SIRHJXBXUCRWCX-JTQLQIEISA-N	317.242	1.573	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2COCCN2C2CCCC2)n1	862520866	NFHCLXDTAQGVSK-AWEZNQCLSA-N	304.394	1.477	50	20	DDGD	
CN(C)CCn1cc(C(=O)NNc2ccc(Cl)cn2)cn1	869286168	ABPATEWCIXMGSA-UHFFFAOYSA-N	308.773	1.250	50	20	DDGD	
C[C@@H]1CC(NC(=O)NNC(=O)c2ccccc2F)C[C@@H](C)O1	767320983	ZEVDCQNFOVZZMA-NXEZZACHSA-N	309.341	1.726	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C(=O)NN=c2cc[nH]c(C)c2)c1C	862508861	YZTRXOFJJCMWSU-UHFFFAOYSA-N	316.361	1.690	50	20	DDGD	
C[C@H]1CC[C@H](C(=O)O)CN1S(=O)(=O)CC(C)(C)CCl	864496992	XBDWPPDNYMIVFT-UWVGGRQHSA-N	311.831	1.766	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C(C)(C)O)c1ccccc1C(F)(F)F	768244281	MOGPCYPYFKIPHL-MRVPVSSYSA-N	318.295	1.727	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)C1(C(=O)NC2CC2)CC1	768246836	MCPLQPRBWXQESG-UHFFFAOYSA-N	304.306	1.097	50	20	DDGD	
O=S(=O)(CCOCC1CCCC1)NCC(Cl)Cl	867468391	DQXHUMHMMJNRMK-UHFFFAOYSA-N	304.239	1.916	50	20	DDGD	
COc1ccc(CC(C)=NNC(=O)[C@@H]2CCC(=O)N2)cc1OC	863146392	RABACLXMGUWXMV-LBPRGKRZSA-N	319.361	1.017	50	20	DDGD	
C[C@@H](NNC(=O)C[C@@H]1OC(=O)c2ccccc21)C(F)(F)F	862304992	VOEXKBNXISKWJC-XCBNKYQSSA-N	302.252	1.860	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N(CCc1ccccc1)C1CC1	865044294	LHYOSJJXYFUIBD-UHFFFAOYSA-N	309.174	1.214	50	20	DDGD	
CCCCc1nnc(NC(=O)NNC(=O)c2cn[nH]c2)s1	860280132	ZAUWTVNRBBGELO-UHFFFAOYSA-N	309.355	1.070	50	20	DDGD	
CC(C)(C)C(=O)NN=C(CNS(C)(=O)=O)c1ccccc1	766694638	FDCOYTHJWQPULN-UHFFFAOYSA-N	311.407	1.102	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCO[C@@H](C(F)F)C1	867238140	ZOEWRIVZVPRVII-MRVPVSSYSA-N	305.774	1.547	50	20	DDGD	
CCCC1(C(=O)NNC(=O)CNc2ccc(OC)cc2)CC1	761020930	MDLZVZZSUHTOTG-UHFFFAOYSA-N	305.378	1.835	50	20	DDGD	
CN(C)[C@H]1[C@@H]2CN(C(=O)[C@@H](Br)C(C)(C)C)C[C@@H]21	861912992	WCHMWBMJYUMGLH-VPOLOUISSA-N	303.244	1.814	50	20	DDGD	
Cc1cc(=NNC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc[nH]1	862509536	PGSJGVPTLYWZIO-JDPPGYRCSA-N	315.417	1.976	50	20	DDGD	
CCC(C)(CC)C(=O)NNC(=O)CNC(=O)c1cccs1	767079480	QSQPLALQOKXVFN-UHFFFAOYSA-N	311.407	1.452	50	20	DDGD	
Cc1n[nH]cc1CNC(=O)NNc1cccc([N+](=O)[O-])c1C	768240161	SRTLRCDZWUETJL-UHFFFAOYSA-N	304.310	1.761	50	20	DDGD	
CCCn1cc(C=NNC(=O)Cc2c[nH]c3ccccc23)nn1	872334145	NSVHIQDWBRUCQW-UHFFFAOYSA-N	310.361	1.862	50	20	DDGD	
C[C@H]1CCCCN1CCCCNC(=O)NNC(=O)c1cn[nH]c1	1118858906	YDTYRALPBRPJFM-LBPRGKRZSA-N	322.413	1.008	50	20	DDGD	
O=C(CO[C@H]1CCOC1)NNC(=O)c1ccc2ccccc2c1	1116206094	VWKHJYFCVKUBHJ-HNNXBMFYSA-N	314.341	1.406	50	20	DDGD	
Cc1ccc2c(c1)S[C@H](C(=O)NNC(=O)c1cc(C)[nH]n1)C2	1116305135	XQTITRAAHZMPLM-ZDUSSCGKSA-N	316.386	1.505	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2CC[C@@H]2C(N)=O)c(C)c1	873761245	VRNGPZXHHAKSKL-QWRGUYRKSA-N	320.418	1.133	50	20	DDGD	
Cc1nn(C)c(-n2cccn2)c1C(=O)NN(C)c1ccccc1	779378990	STPURLAOULZLPV-UHFFFAOYSA-N	310.361	1.695	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)Nc1cc2c(cn1)CCCC2	879622974	SYFOSHYYMRBYIA-UHFFFAOYSA-N	318.377	1.540	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNC(=O)C(C)(C)c1ccccc1	770738143	DCCQRQAUEYIBDU-UHFFFAOYSA-N	314.389	1.721	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCCc1nc2ccccc2[nH]1	875188729	NXICSGOTMBXZFY-UHFFFAOYSA-N	305.338	1.408	50	20	DDGD	
CN(C)CCn1cc(NC(=O)NNc2ccc(F)cn2)cn1	878847816	AZKXYUWZQDUPSE-UHFFFAOYSA-N	307.333	1.127	50	20	DDGD	
CN(C[C@H]1C[C@@H](O)C1)C(=O)NC[C@@]1(C)C[C@@H]1Br	875757326	DKMYDNBFCRJSKR-MIZYBKAJSA-N	305.216	1.572	50	20	DDGD	
CCCNC(=O)NN=C1CCN(C(C)=O)Cc2ccccc21	778540219	LTEBSMCNMCZSEC-UHFFFAOYSA-N	302.378	1.852	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)N[C@H](CO)C1CC1	778649823	LCNOACSSYDYNIZ-CQSZACIVSA-N	305.378	1.111	50	20	DDGD	
CC[C@@]1(CO)CCCN(S(=O)(=O)CBr)C1	778130020	UCMHHNATYQYUEH-SECBINFHSA-N	300.218	1.153	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)NNC(=S)Nc1ccc(C)cc1C	873758534	SJKMZQZCYGESTG-UHFFFAOYSA-N	322.434	1.536	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H]1c1sccc1C	772216255	XHSHPGUWRGFQQM-GARJFASQSA-N	324.402	1.649	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C2(COC)CC2)cc1OC	778538753	QGWJCNGIMRXDGR-UHFFFAOYSA-N	322.361	1.282	50	20	DDGD	
Cn1cc(C=NNC(=O)[C@@H]2CCC(=O)N2)c2ccc(Cl)cc21	872392673	UIZJHUMWIBJHOL-LBPRGKRZSA-N	318.764	1.560	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1ccc(Cl)nc1)c1cccnc1	778234999	UIVIMEVFFPLAEK-UHFFFAOYSA-N	318.764	1.869	50	20	DDGD	
CCNC(=O)CC(=O)NNC(=S)Nc1ccc(C)cc1C	873759138	IKHIDCBHOPORMU-UHFFFAOYSA-N	308.407	1.147	50	20	DDGD	
Cc1ncc(CCNC(=O)NNC(=O)c2ccccc2F)s1	772019828	GHDNRSDTVJXYHC-UHFFFAOYSA-N	322.365	1.777	50	20	DDGD	
CC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1cnn(C)c1C	778532651	PVFIGQONWRCWTO-UHFFFAOYSA-N	301.306	1.791	50	20	DDGD	
CC(C)[C@](C)(O)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	770207162	BLNXUGZYTQDAGV-BMIGLBTASA-N	312.341	1.147	50	20	DDGD	
C[C@H](CN(C)C(=O)[C@H](Br)C(C)(C)C)c1nn[nH]n1	773997303	CITJTFQAUPXBGY-SFYZADRCSA-N	318.219	1.571	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C(C)(C)c1ccccc1C	772064842	QVJALFFXRSKCHK-GFCCVEGCSA-N	320.389	1.762	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CSC(C)C	771991462	ADUJCKHTCLRJCM-SNVBAGLBSA-N	304.412	1.253	50	20	DDGD	
CCn1c(NNC(=O)[C@@H]2CCC=CO2)nc2ccccc2c1=O	777843178	AMAGLWVRPKTYDB-ZDUSSCGKSA-N	314.345	1.552	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1ccc(C#N)cn1)C1CCCC1	889371244	KDDPNJMEHBHDLF-ZDUSSCGKSA-N	303.366	1.785	50	20	DDGD	
N#Cc1cc(F)c(C(=O)NNC(=O)C2CCOCC2)c(F)c1	883065310	HUCVJSYJUHLJKX-UHFFFAOYSA-N	309.272	1.024	50	20	DDGD	
COc1cccc([C@H](C)C(=O)NNC(=O)C2CCOCC2)c1	883062365	ZYSJBRSYCDZYFR-NSHDSACASA-N	306.362	1.373	50	20	DDGD	
C[C@H](O)c1cn(CC(=O)NNc2ccc(F)cc2Cl)nn1	885137400	WVEFBSFENBRHAN-ZETCQYMHSA-N	313.720	1.267	50	20	DDGD	
NOCCCNC(=O)NNc1cc(C(F)(F)F)ccc1F	1120666720	NWCIJJCTTOYVES-UHFFFAOYSA-N	310.251	1.751	50	20	DDGD	
CC(C)[C@@H](F)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	784795059	MKNLHSIBXDUQOV-SNVBAGLBSA-N	305.350	1.043	50	20	DDGD	
CC(C)[C@](C)(O)C(=O)NNC(=O)NCc1ccc(Cl)cc1	787430586	DCZKNZYDGBIAIL-AWEZNQCLSA-N	313.785	1.577	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N2C3CCC2(CN)CC3)cc1	892474837	QEAWQHNZUCCUNG-UHFFFAOYSA-N	316.405	1.559	50	20	DDGD	
CC(C)(C)[C@H](O)C(=O)NNC(=O)NCc1ccc(Cl)cc1	787423307	JJSKNIWAVBWAGK-LLVKDONJSA-N	313.785	1.577	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@]2(OC)CCSC2)c1	896973830	UUFOQMNJGRKLQZ-CYBMUJFWSA-N	300.355	1.800	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)NC[C@H]2C[C@H](N)C2)cc1	892581288	DSVVZSOTEKTSSR-HAQNSBGRSA-N	322.434	1.155	50	20	DDGD	
Cc1ncc(NC(=O)C(=O)NNc2ccc(F)cc2C)s1	783446039	FKTZMOPSVVSVBV-UHFFFAOYSA-N	308.338	1.981	50	20	DDGD	
CC(C)[C@H]1C[C@@H](C(=O)NNc2ccnc(N(C)C)n2)CCO1	895275984	NBXLGXNYPNTXMF-NWDGAFQWSA-N	307.398	1.437	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H]2CO[C@@H](C)C2)c(C)c1	784767476	ODMGCKAEUTWQSZ-QWHCGFSZSA-N	305.378	1.288	50	20	DDGD	
CC1(C)[C@@H](C(F)(F)F)CCN1CC(=O)NNC(=O)C1CC1	787322896	UPUAUGAGUBUEHY-VIFPVBQESA-N	307.316	1.207	50	20	DDGD	
CC[C@H]1C[C@@H](C(=O)NNc2nc(-c3cccnc3)no2)CCO1	780474680	MOLFWHOXFZRPQC-JQWIXIFHSA-N	317.349	1.780	50	20	DDGD	
C[S@](=O)c1ccc(CC(=O)NNc2ccc(C#N)cc2)cc1	797947983	ZZSXBZUXDDBCEU-QFIPXVFZSA-N	313.382	1.981	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)nc1	899664541	YOQJIPUZLXGJNW-CYBMUJFWSA-N	313.361	1.045	50	20	DDGD	
CO[C@H](C(=O)NNc1ccc(Br)nc1)C1CC1	792642320	IUUFDGDRGONLKA-JTQLQIEISA-N	300.156	1.712	50	20	DDGD	
CC(=NNC(=O)c1c[nH]nc1C)c1ccc(C(=O)N(C)C)cc1	793017187	WTJCIPMKRGFKCE-UHFFFAOYSA-N	313.361	1.574	50	20	DDGD	
COc1cc(/C=C(\C#N)S(=O)(=O)N(C)C)ccc1OCC#N	794957975	JSMCNBWKQVMYQH-XYOKQWHBSA-N	321.358	1.353	50	20	DDGD	
O=C(CCc1cncnc1)NNC(=O)Cn1ccc2ccccc21	794290462	MJOOARBFAORZOK-UHFFFAOYSA-N	323.356	1.212	50	20	DDGD	
C=C(CBr)CN1CCS(=O)(=O)[C@H]2CCCC[C@H]21	791472197	GGEIQVUWWGLRBP-NEPJUHHUSA-N	322.268	1.979	50	20	DDGD	
Cc1cc[nH]c1C(=O)NNC(=O)CSc1ccccc1O	797965100	VKQQMGZRPGDBPA-UHFFFAOYSA-N	305.359	1.582	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53	794993957	GPJAISGJAXSRBC-MSGVPLPGSA-N	314.307	1.480	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1CCN(C)c2ccccc21	798306675	QWEULUQHZXUUEK-GFCCVEGCSA-N	304.419	1.291	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H](c2cccnc2)C(C)C)n1	798005943	YBYSGNJCNISERO-HNNXBMFYSA-N	312.373	1.986	50	20	DDGD	
C[C@@H]1CC/C(=C\C(=O)NNC(=O)c2n[nH]c3c2CCCC3)C1	1319019723	BPCDHZUQPGGVAG-OYVNLZQHSA-N	302.378	1.796	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccc2nnc(C(F)F)n2c1	1319185128	VVINXUBJULIYKT-UHFFFAOYSA-N	323.303	1.618	50	20	DDGD	
CC(=NNC(=O)c1n[nH]c2c1CCCC2)[C@@H]1C[C@H]2CC[C@H]1O2	1324550813	KMNGQJHNTJAZKE-SCDSUCTJSA-N	302.378	1.962	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C[C@H](C)c2cnn(C)c2)cc1	1328597163	BIHQLYOGVUXDLE-NSHDSACASA-N	316.361	1.384	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2cnc([C@H](C)O)s2)CC1	1320995067	QVVYBTOKMLHFIA-LBPRGKRZSA-N	324.450	1.769	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NNc1ccncn1	1324481424	GQWXXZWLYZIPLV-NSHDSACASA-N	321.381	1.565	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2CCCC[C@H]2N(C)C)n1	1320047513	KONVCEIZGWMMTL-VXGBXAGGSA-N	307.398	1.589	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cc(CN(C)C)on1	1323346114	SQVLAWCRBYQEEV-UHFFFAOYSA-N	302.334	1.119	50	20	DDGD	
Cc1c([C@@H](C)NC(=O)NNC(=O)CC(F)(F)F)cnn1C	1337599915	IBDQPYUPTOVFJC-ZCFIWIBFSA-N	307.276	1.072	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1)c1ccccc1	1334998102	YLOUMBVEAFTBPJ-UBHSHLNASA-N	317.389	1.242	50	20	DDGD	
Cc1nc(CSCC(=O)NNC(=O)c2ccc[nH]2)cs1	1337056587	HHYSUOPMYHGNHQ-UHFFFAOYSA-N	310.404	1.474	50	20	DDGD	
CC(=NNC(=O)CCN1CCC(C)CC1)c1cc2n(n1)CCC2	1261374003	XEENGUHDUSMAOG-UHFFFAOYSA-N	317.437	1.792	50	20	DDGD	
CN1C(=O)CS/C1=C\C(=O)NNc1ccc(C(C)(C)C)nn1	1353621640	HGWZQVMLOJZIRC-QPEQYQDCSA-N	321.406	1.264	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)CN2CCC[C@H](C(=O)O)C2=O)c1	1600389422	FWPGTOGVZWFYTK-LBPRGKRZSA-N	319.361	1.070	50	20	DDGD	
O=C(O)CCC1CCN(CCI)CC1	1608708574	ZBCWBZYHCOAYNX-UHFFFAOYSA-N	311.163	1.998	50	20	DDGD	
Cc1conc1CNC(=O)NNc1cccc(C(=O)O)c1C	1600644982	MUCXZXUMRLPYDM-UHFFFAOYSA-N	304.306	1.816	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@@]1(C(=O)O)CC=CCC1	1605710034	UHLNAAXEOGXUDS-MRXNPFEDSA-N	320.320	1.327	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@H](Oc1ccc(F)cc1)C(=O)O	1605618541	LSCICBDYYJHTIK-LXKVQUBZSA-N	322.292	1.218	50	20	DDGD	
O=C(O)CCCNC(=S)NNC(=O)c1cccc(Cl)c1	1601993634	PKYDQZGFUWKTLT-UHFFFAOYSA-N	315.782	1.314	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(C(C)(C)C(=O)O)cc1	1605493051	IQPSIWZUZGSYNC-UHFFFAOYSA-N	322.365	1.747	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NN[C@H](CC)C(=O)O)cc1	1605697736	MWVZHLHZHKWULG-GXFFZTMASA-N	310.350	1.337	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2c(F)ccc(O)c2O)c(F)c1	1608903913	AGBCUVCHWQNZGV-UHFFFAOYSA-N	324.239	1.831	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2cc(C(=O)O)co2)cc1	1610510571	QBJHPAVMGCQJTG-UHFFFAOYSA-N	301.302	1.848	50	20	DDGD	
CCc1oc(C=NNC(=O)C(=O)NC(CC)CC)cc1C(=O)O	1610078659	BKYMGZWEVWHBGR-UHFFFAOYSA-N	323.349	1.295	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)O)C2	1800074107	KSOVKAQENWUIAL-HHHUOAJASA-N	302.802	1.023	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C=NNC(=O)[C@H]1CCCOC1	1552452999	IWIGMOLOKRKEII-HZSPNIEDSA-N	320.393	1.416	50	20	DDGD	
C[C@H]1CCN[C@H](C(=O)NNc2cc(Br)ncn2)C1	1576743765	AWYRYNACRUITSH-YUMQZZPRSA-N	314.187	1.070	50	20	DDGD	
NC[C@@H](NC(=O)NNc1cc(F)cc(F)c1F)C(F)(F)F	1580222354	RWICJVQUERTEPW-SSDOTTSWSA-N	316.205	1.620	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cc[nH]n1)C2	1841666193	QGTYWJJONHMLNQ-LLVKDONJSA-N	324.812	1.634	50	20	DDGD	
CC(C)[C@H](C(=O)O)C(=O)NNC(=O)c1cccc2ccccc12	1588808832	YXYFYAZFOHWIKD-AWEZNQCLSA-N	314.341	1.958	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H]2C[C@H]2F)C1	1845095080	MAPGIOZEVOROOF-GARJFASQSA-N	302.777	1.565	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)c1sccc1-c1nn[nH]n1	1582562078	IMFKASULQOLEAJ-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cnccn1)C2	1845163683	LYULNXOBZCYYLF-NSHDSACASA-N	322.796	1.311	50	20	DDGD	
NCCCCCC(=O)NNC(=O)c1c[nH]c2cccc(F)c12	1580292590	DYNJZWGHVCKVAQ-UHFFFAOYSA-N	306.341	1.587	50	20	DDGD	
O=C([C@H]1CC1(F)F)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843363872	DIICOHSPOUWWPQ-SFYZADRCSA-N	310.703	1.379	50	20	DDGD	
CC1(C(=O)N2CCCC23CN(C(=O)C(Cl)Cl)C3)COC1	1841133062	UUOBPBAMXRPNSS-UHFFFAOYSA-N	321.204	1.030	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)NOC/C=C/Cl	1593165811	HMBWJWVUSAVFAM-GORDUTHDSA-N	309.717	1.177	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@H]1CN1CCC[C@](O)(C2(C(=O)O)CCC2)C1	1594187308	FLGSQACTYIZALO-JUFZMCDQSA-N	301.814	1.942	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1ccccc1C(=O)O	1598877278	ZKNHYDKORHGBDX-UHFFFAOYSA-N	309.322	1.306	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccoc2CC(=O)O)C[C@@H]1Br	1594027697	ZTRNRZYGVHBTED-CABZTGNLSA-N	316.151	1.810	50	20	DDGD	
CO[C@@H]1C(=NNC(=O)c2ccc(C(=O)O)cc2)[C@H]2CCC[C@@H]21	1776101796	YXWJVBANQGJRIW-OBJOEFQTSA-N	302.330	1.916	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)nc1	160682121	JUMYFXYPFZRUBB-UHFFFAOYSA-N	313.361	1.923	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cccc(F)n1	159251272	OCSGQSXVWBLSOW-SECBINFHSA-N	321.283	1.588	50	20	DDGD	
O=S(=O)(c1ccc(CCl)cc1)N1CCC[C@@H]1CCO	311901361	YDYVDZHVJAAVST-GFCCVEGCSA-N	303.811	1.961	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cncc(Br)c1	10160399	GGRPLXYJIKBRBW-UHFFFAOYSA-N	300.156	1.651	50	20	DDGD	
CNC(=O)NNC(=O)CCc1ncc(-c2ccc(F)cc2F)o1	56375647	CCLXZUROTQPPBL-UHFFFAOYSA-N	324.287	1.513	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCc2cnn(C)c2)cc(C#N)n1C	56208599	QRYZVKWIYLVRNB-LNKIKWGQSA-N	308.345	1.162	50	20	DDGD	
C[C@H]1CCCN1C(=O)NNC(=O)Cn1ccc2ccccc21	176483085	XFLBWCBQQRMMEM-LBPRGKRZSA-N	300.362	1.866	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(C#N)c2)ccc1[N+](=O)[O-]	103403106	IMOZMKIXWXFWPY-UHFFFAOYSA-N	324.296	1.850	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCO1)c1cc2c(s1)CCCCC2	25401189	FBYJSDPXJROALO-LLVKDONJSA-N	308.403	1.957	50	20	DDGD	
C[S@@](=O)CCCNC(=O)NNc1ccc(C(C)(C)C)nn1	118485403	UZILWFRPZPVYGX-NRFANRHFSA-N	313.427	1.169	50	20	DDGD	
CCCc1ccc(C(=O)NNC(=O)Cn2nc(C)cc2C)cc1	60064542	PGRPWUDRLAHCJX-UHFFFAOYSA-N	314.389	1.914	50	20	DDGD	
CN(C)Cc1ccc(C(=O)NNc2nccnc2Cl)cc1	114896793	NQKQBQNLLMGTQC-UHFFFAOYSA-N	305.769	1.949	50	20	DDGD	
O=C(NNc1nccnc1Cl)[C@@H]1CCCN(C(=O)C2CC2)C1	114894165	OVPMQTDUCIOOSX-SNVBAGLBSA-N	323.784	1.222	50	20	DDGD	
C[C@@H](NC(=O)c1ccoc1)C(=O)NNc1ncccc1Cl	114884181	KDQINRNRPGTQCE-MRVPVSSYSA-N	308.725	1.590	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCc1nc(C)no1)c1ccccc1	111853106	KXYYSWSDSJJCMQ-GFCCVEGCSA-N	317.349	1.402	50	20	DDGD	
CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)c1ccc[nH]1	175777558	CZCGYULSKVWLOJ-CQSZACIVSA-N	301.346	1.942	50	20	DDGD	
CCOc1cccc2c1OCC(C(=O)NNC(=O)NC1CC1)=C2	64427610	NQMTWGCCKRACDV-UHFFFAOYSA-N	317.345	1.354	50	20	DDGD	
CN(C)[C@H](C(=O)NNc1nccnc1Cl)c1ccccc1	114897809	BUYKFGOAIVPVNR-NSHDSACASA-N	305.769	1.876	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)[C@H]1Cc2cc(F)ccc2O1	175841992	BDKYISNJEIXLGW-CQSZACIVSA-N	306.337	1.857	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1cc(F)ccc1F	22638561	GSFMGYCRFDQRRA-UHFFFAOYSA-N	324.258	1.944	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1c(C)nn(C)c1C	67431383	BDCFGENIYTVUNL-UHFFFAOYSA-N	302.334	1.120	50	20	DDGD	
COc1ccccc1C(=O)NN[C@@H](C(N)=O)c1ccc(F)cc1	67452675	KKYDHIFPOZXDMH-CQSZACIVSA-N	317.320	1.295	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1cncc(-c2ccccc2)c1	186158357	CVTTXLSDQAFACC-UHFFFAOYSA-N	321.340	1.475	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)Nc1cccc2ccccc12	186404968	NBHROBTVSSKHRY-UHFFFAOYSA-N	309.329	1.958	50	20	DDGD	
C[C@@H](NCC(=O)NNC(=O)c1ccc(F)cc1)c1cccnc1	181302774	GPANMKZKGWFGBR-LLVKDONJSA-N	316.336	1.333	50	20	DDGD	
O=C(CO)NNC(=O)c1cc2ccccc2cc1OC(F)F	182762358	XJUKDSCKMNSLRW-UHFFFAOYSA-N	310.256	1.195	50	20	DDGD	
O=C(CCCOc1ccc(F)cc1)NNC(=O)Cc1cc[nH]n1	186107409	YMLRZNWNOOREEH-UHFFFAOYSA-N	320.324	1.098	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCc1cc(C)cc(C)c1	123268827	JTJCMCMLPCTKDJ-UHFFFAOYSA-N	307.394	1.603	50	20	DDGD	
CCC(=O)Nc1ccc(NC(=O)NNC(=O)c2ccc[nH]2)cc1	184064340	PNZIUUGUKHWVSX-UHFFFAOYSA-N	315.333	1.830	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NNc1c(F)cccc1Cl	185436914	WKSPALJGUZDAGZ-SECBINFHSA-N	302.737	1.759	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1cc(F)cc2cccnc12	186134396	OCQOMXRJLWAISM-UHFFFAOYSA-N	313.292	1.101	50	20	DDGD	
CC(C)CONC(=O)NNC(=O)c1ccc2ccccc2n1	127982492	HKBCCCYLOCTSIY-UHFFFAOYSA-N	302.334	1.766	50	20	DDGD	
C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)NN(C)C(N)=O	181088409	RKMPIWGSYQNUKM-SSDOTTSWSA-N	305.256	1.514	50	20	DDGD	
CN(NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(N)=O	182670063	CLLUXOOWNKHMKI-UHFFFAOYSA-N	321.318	1.374	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccc(OC)nn1)c1ccccc1	78119684	GCKHBEFGZXSRIA-LBPRGKRZSA-N	314.345	1.440	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCc2ccsc2C1	132689546	JTIDGJRKXQYDSA-LLVKDONJSA-N	309.435	1.688	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCCc1ccc(F)cc1	83064575	DVMYZKUVCHMHJP-UHFFFAOYSA-N	316.336	1.336	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cc2c(s1)CCOC2	191916389	JOWJTIQROVLUGD-UHFFFAOYSA-N	315.358	1.620	50	20	DDGD	
O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)NNc1cccnn1	190973609	WZQUXEJXGBXFSC-ZFWWWQNUSA-N	313.361	1.881	50	20	DDGD	
CN(C)C(=O)NNC(=O)/C=C\c1ccccc1OC(F)(F)F	255455147	JWAIRUIZTNXWII-FPLPWBNLSA-N	317.267	1.901	50	20	DDGD	
CCC(CC)CNC(=O)NNC(=O)COc1ccccc1OC	265782759	VQVITMSXXMYHDZ-UHFFFAOYSA-N	323.393	1.841	50	20	DDGD	
CC(C)N(C)S(=O)(=O)NNC(=O)c1ccc2ccccc2n1	266305478	RXECNGMHPKLANM-UHFFFAOYSA-N	322.390	1.054	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccccc1Cn1cccn1	266803548	FUOJCQUASMNYRQ-UHFFFAOYSA-N	300.362	1.739	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cc(F)cc(Cl)c1	268187221	RSSHIKFGPBOLDF-UHFFFAOYSA-N	301.705	1.166	50	20	DDGD	
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)OC(C)(C)C	263722581	SBQBJPCTZPYLPX-UHFFFAOYSA-N	324.337	1.830	50	20	DDGD	
CCN(CCNC(=O)NNC(=O)c1ccccc1F)C1CC1	263698372	ODKIIFKSTIYVPQ-UHFFFAOYSA-N	308.357	1.254	50	20	DDGD	
CC(C)C[C@@H](C)NC(=O)NNC(=O)c1ccc2c(c1)OCCO2	269813832	VLBXWQUYGSKNAH-LLVKDONJSA-N	321.377	1.836	50	20	DDGD	
C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NNC(=O)c1ccccc1F	268171904	QTWCLWMNVXGXJU-HZMBPMFUSA-N	320.368	1.252	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)c2ccccc2)n(C)n1	264627926	KUDDLRUWPXFCSM-UHFFFAOYSA-N	300.362	1.467	50	20	DDGD	
Cc1noc(CCC(=O)NNc2cc(F)c(F)c(F)c2)n1	266909830	CPPCVPUCPYXOHL-UHFFFAOYSA-N	300.240	1.871	50	20	DDGD	
CC(C)n1ccc(C(=O)NNC(=O)COc2ccccc2F)n1	264901255	FJGBFBFHMHWDID-UHFFFAOYSA-N	320.324	1.443	50	20	DDGD	
CC(C)c1nc([C@H](C)NS(=O)(=O)CBr)n[nH]1	272856934	WPDGIORRGWHGDW-LURJTMIESA-N	311.205	1.261	50	20	DDGD	
CCCCC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	273459689	VQJDUXFIRPIFLM-UHFFFAOYSA-N	313.379	1.433	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)CC1	273699702	NJDXFYRRQVPEST-UHFFFAOYSA-N	304.371	1.856	50	20	DDGD	
CC(C)c1cnc(NC(=O)C(=O)NNC(=O)C2CCC2)s1	277079449	SHYFGQAZGDINQN-UHFFFAOYSA-N	310.379	1.153	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C[C@](C)(O)C1CC1	270119416	LSPWHFBPFDESFL-QFYYESIMSA-N	324.352	1.292	50	20	DDGD	
COCCc1ccnc(NC(=O)NNc2nc(C)cc(C)n2)c1	287367572	OMJPGHZXHXQHJR-UHFFFAOYSA-N	316.365	1.826	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NC(C1CCC1)C1CCC1	287588048	YNZJERFENULHGV-UHFFFAOYSA-N	316.405	1.923	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2CCN(CC(F)F)CC2)o1	287635250	FZTBLJLKOWFZIS-UHFFFAOYSA-N	315.320	1.326	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@H]1CC[C@H](C(F)(F)F)NC1=O	286140601	CAZQNMKYOGLTGC-NKWVEPMBSA-N	320.246	1.121	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(-n3ccnc3)nn2)c(C)n1C	804954188	HYKYBVXATHLBTR-UHFFFAOYSA-N	311.349	1.375	50	20	DDGD	
Cn1nccc1[C@@H]1CCCN(C(=O)NNC(=O)C(C)(C)C)C1	801016083	PQZFKJJHMPJHTF-LLVKDONJSA-N	307.398	1.386	50	20	DDGD	
O=C(NCCSc1ccccc1)NNC(=O)[C@@H]1CCCO1	291780472	WMHNRXPCOQDVOE-LBPRGKRZSA-N	309.391	1.288	50	20	DDGD	
CSc1ccccc1[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCCO1	292735358	SUAKVEMJMLJGCM-PWSUYJOCSA-N	323.418	1.979	50	20	DDGD	
Cc1csc(CCCC(=O)NNC(=O)[C@H]2CCCCO2)n1	295726743	LRNXJBRJDRBUHG-LLVKDONJSA-N	311.407	1.491	50	20	DDGD	
CSCc1cccnc1C(=O)NNC(=O)c1ccccn1	809937470	SSQSQJMBYDUNCP-UHFFFAOYSA-N	302.359	1.414	50	20	DDGD	
CO[C@H](C)CC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	802045103	JYNQXVWUCHRQQM-MRVPVSSYSA-N	317.292	1.866	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)nn1	809802626	CTDMSMDTAKTOAI-UHFFFAOYSA-N	310.239	1.462	50	20	DDGD	
Cn1nncc1CNC(=O)NNc1ccc(Cl)cc1Cl	807612838	PMYCTRGCRXHLNV-UHFFFAOYSA-N	315.164	1.948	50	20	DDGD	
Cc1[nH]ccc1C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802123066	IFSQYNGFUUQPJL-UHFFFAOYSA-N	301.350	1.856	50	20	DDGD	
CCN(C)C(=O)CNC(=O)NNc1cc(C(F)(F)F)ccn1	296671415	BIHJDYVQSOJXJC-UHFFFAOYSA-N	319.287	1.205	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNC(=O)Cc1ccc(F)cc1	805154684	QKWAPCFWDLYTAM-UHFFFAOYSA-N	324.352	1.495	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C	293600340	CXVKSBLJYRRXTI-UQYIDHONSA-N	321.421	1.924	50	20	DDGD	
COCCN(C)NC(=O)[C@H](NC(=O)c1ccc(C)cc1)C(C)C	808075383	XIRNUTOWTURHEV-OAHLLOKOSA-N	321.421	1.359	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1ccc2c(n1)CCC2	296824756	IAVHZOCNXJBZQS-UHFFFAOYSA-N	311.432	1.636	50	20	DDGD	
Cc1ccncc1C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802123583	OMCNEAUUWNLIHQ-UHFFFAOYSA-N	313.361	1.923	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)CC(C)(C)C	292077954	DCOJUPHPQUKSJI-UHFFFAOYSA-N	313.423	1.816	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1	294377462	HDVPKUQEUKIULV-UHFFFAOYSA-N	321.333	1.751	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NN=C(C)c2cc[nH]n2)n[nH]1	814878211	SNNOHFAJOSWAEP-UHFFFAOYSA-N	324.344	1.962	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(Cl)n1)[C@H]1CN(C)CCO1	814314044	WFCLQFKDTKVSTA-VHSXEESVSA-N	313.789	1.080	50	20	DDGD	
O=C(NN=C1CCN(CCO)CC1)Nc1cc(F)cc(F)c1	819813589	POYZBRVXGWBASQ-UHFFFAOYSA-N	312.320	1.530	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2c(C)cccc2F)nn1C	817384137	DUHJDQFOCLZFLL-UHFFFAOYSA-N	319.340	1.512	50	20	DDGD	
CC(=NNC(=O)N(C)C)c1ccc(OCc2nccn2C)cc1	814820745	BCLSLHGEPXIFGL-UHFFFAOYSA-N	315.377	1.994	50	20	DDGD	
Cn1nncc1NNC(=O)c1cc(Br)ccc1O	816770346	TUBSYDYJBBCRRH-UHFFFAOYSA-N	312.127	1.040	50	20	DDGD	
Cc1nc(N2CCOCC2)sc1C(=O)NN=C[C@H]1CCOC1	812434605	UKZLHMCPEGTADA-LLVKDONJSA-N	324.406	1.040	50	20	DDGD	
CC(Cc1ccc(F)cc1Cl)=NNC(=O)C(=O)NC1CC1	817323185	UIMHIIAKTNNZQU-UHFFFAOYSA-N	311.744	1.792	50	20	DDGD	
O=C(CSc1nnc(O)nc1O)NN=C1CC[C@@H]1C1CCC1	814784552	LYJZHWCHYTXUKL-MRVPVSSYSA-N	323.378	1.057	50	20	DDGD	
N#C[C@H]1CCCC(=NNC(=O)CNC(=O)c2cccs2)C1	814827505	MPLSMIKWZQSSSZ-JTQLQIEISA-N	304.375	1.664	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2ccc(O)c(Cl)c2)on1	814849687	GUKXCIYYSKFDFG-UHFFFAOYSA-N	323.692	1.584	50	20	DDGD	
COc1ccc(C(F)(F)C(=O)NNc2ncncc2F)cc1	817078866	YDPLFAFUQPEBJT-UHFFFAOYSA-N	312.251	1.859	50	20	DDGD	
CN(NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)C1CC1	819646470	ZJLFGITUMHWPBV-UHFFFAOYSA-N	317.798	1.451	50	20	DDGD	
Cc1cn2c(C=NNC(=O)N=c3cc[nH]cc3)c(C)nc2s1	815000765	RUHLSRUPQVYPHB-UHFFFAOYSA-N	314.374	1.985	50	20	DDGD	
N#CSCCCNC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O	816538327	NGUSXVVIWKURGW-VXGBXAGGSA-N	323.418	1.272	50	20	DDGD	
CCC(=NNC(=O)[C@H](C)CN1CCOCC1)c1cccc(N)c1	814762425	AAVIWJYLRWYRGF-CYBMUJFWSA-N	318.421	1.467	50	20	DDGD	
CC(=NNC(=O)CNc1ccccc1F)c1cc(CO)on1	812222758	REYZKPCJBTWOIK-UHFFFAOYSA-N	306.297	1.258	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)CCn2cncn2)cc1C	812723763	NBKAAIOVQXODGM-UHFFFAOYSA-N	317.349	1.297	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=S)NC2CCC2)c1	814192183	SEMWWFRFJFNSTQ-UHFFFAOYSA-N	309.391	1.365	50	20	DDGD	
N#Cc1cc(C(=O)NN=c2cc[nH]cc2)cnc1C(F)(F)F	816011650	VSJZNWNNLGYPAR-UHFFFAOYSA-N	307.235	1.546	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)c1ccc(Cl)cc1F)OC	811968565	JZDYRJANBXPHQD-SECBINFHSA-N	317.748	1.848	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2cccc(-c3nn[nH]n3)c2)CCO1	824857724	FBRSDXYDSLNBMO-VIFPVBQESA-N	300.322	1.151	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)Cc2ccccc2C)n(C)n1	820974665	HKEVWCSJIJPDPG-UHFFFAOYSA-N	300.362	1.295	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1csc(Cc2cccc(F)c2)n1	823939220	HBDYPTIZKQAHLK-SNVBAGLBSA-N	323.393	1.830	50	20	DDGD	
CN1CCC(CCNC(=O)NNC(=O)CC(F)(F)F)CC1	728751816	CLLKLZLWTBTZIR-UHFFFAOYSA-N	310.320	1.001	50	20	DDGD	
Cc1cccc(CCCNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n1	826772993	IKSRESYPELFWDG-OCCSQVGLSA-N	320.393	1.078	50	20	DDGD	
CCCN(NC(=O)[C@H](O)CCSC)C(=O)OC(C)(C)C	496716710	FTWIGNUCBUNIRL-SNVBAGLBSA-N	306.428	1.779	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@]1(c2ccccc2)CC1(C)C	824397984	DKKTVAZOGVQQOV-KRWDZBQOSA-N	319.405	1.721	50	20	DDGD	
CCC(CC)[C@H](C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C	494453254	MDMOAPPJWFOCKI-JTQLQIEISA-N	315.414	1.731	50	20	DDGD	
Cc1cc(S(=O)(=O)NN(C)C(=O)OC(C)(C)C)c(C)o1	496400067	UHHXAZLUZDWEFC-UHFFFAOYSA-N	304.368	1.957	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NNC(=O)Cc1cccnc1	490847246	WZEJAFMIAKIXJQ-ZSOIEALJSA-N	324.315	1.518	50	20	DDGD	
CN1CCCC[C@H](C(=O)NNC(=O)Nc2ccccc2)C1=O	822760382	LJFGYQSCVLBKQY-GFCCVEGCSA-N	304.350	1.098	50	20	DDGD	
COc1cc(C2(C(=O)NN(C)[C@@H](C)CO)CCC2)ccc1C	823966013	XUAKLFCJXPUXFR-ZDUSSCGKSA-N	306.406	1.769	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(-c2ccc(F)cc2)n(C)n1	822555985	CTTLAYPFCUAQGG-SNVBAGLBSA-N	306.341	1.184	50	20	DDGD	
COC(=O)c1ccc(O)c(C=NNC(=O)c2cccc(C#N)c2)c1	728780901	FYGBRFFSTGMWGO-UHFFFAOYSA-N	323.308	1.814	50	20	DDGD	
COC(=O)Nc1cccc(C(=O)NNc2nccnc2OC)c1	495362315	NMAYUJHNOHOQJV-UHFFFAOYSA-N	317.305	1.420	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)c(F)c1	585031136	ROADSRRVZIUKMG-NUJGCVRESA-N	311.165	1.181	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)Cn1ccc2ccccc21	729646487	ZINBQEQYPWMVHN-NSHDSACASA-N	304.419	1.935	50	20	DDGD	
CCC1(CNC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)COC1	491159674	JDNNABDSQFRVNI-RZNTYIFUSA-N	312.373	1.655	50	20	DDGD	
CCC[C@@H]1CCC[C@@H]1CNC(=O)c1cc(B(O)O)ccc1F	584997661	JTNGEOZMIYYKDR-VXGBXAGGSA-N	307.174	1.452	50	20	DDGD	
CCN(CCO)NC(=O)CC1(CNC(=O)OC(C)(C)C)CC1	823893692	SMGPOVPPWWFAHY-UHFFFAOYSA-N	315.414	1.027	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CSC[C@H]1C(=O)NCC(C)C	490784074	WIFPAANHHABPIM-VNKGSWCUSA-N	311.407	1.104	50	20	DDGD	
C[C@@]1(C(=O)NNc2cc(Cl)cc(Cl)c2)CCNC1=O	822395373	BQPRQYIFFASATI-GFCCVEGCSA-N	302.161	1.963	50	20	DDGD	
Cn1nccc1C=NNC(=O)CCCNC(=O)OC(C)(C)C	494078784	PFENYGGXZSIDMB-UHFFFAOYSA-N	309.370	1.175	50	20	DDGD	
O=C(NCC1(C2CC2)CC1)NNc1cccc(-c2nn[nH]n2)c1	826433399	FCFHHIUPJBEJQI-UHFFFAOYSA-N	313.365	1.683	50	20	DDGD	
O=C(c1cc2c(Cl)cncc2s1)N1CC[C@@H](B(O)O)C1	902552763	UPVJWORHRBDDRR-SSDOTTSWSA-N	310.571	1.639	50	20	DDGD	
C[C@@H]1SCC[C@H]1NC(=O)NNC(=O)CCc1ccccc1	827643067	JOJWVPNXVKHJBJ-WCQYABFASA-N	307.419	1.844	50	20	DDGD	
COc1ccccc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	826219072	SCVSMCBUOAUEJF-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc([C@H](C)C(=O)OC)cc1	496117693	GKEOUFAGHKZANU-VIFPVBQESA-N	309.322	1.746	50	20	DDGD	
OB(O)[C@@H]1CCN(Cc2csc(COc3ccccc3)n2)C1	585077464	UNBUXRPCHTWYQR-GFCCVEGCSA-N	318.207	1.771	50	20	DDGD	
C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)c2cccc(B(O)O)c2)o1	584927064	LEDDZXDANGUWHM-XHDPSFHLSA-N	313.162	1.355	50	20	DDGD	
CC[C@H]1CN(CC(=O)NNC(=O)c2cccs2)C[C@@H](C)O1	732208517	VGUYORYEOHFBMJ-MNOVXSKESA-N	311.407	1.008	50	20	DDGD	
COCC[C@@H](NCc1ccc(B(O)O)cc1)c1ccc(C)o1	585033238	BQQJAHKXAGRJKV-OAHLLOKOSA-N	303.167	1.135	50	20	DDGD	
Cn1nncc1/C=C(/C#N)C(=O)NCc1cccc(Cl)c1	490690672	DOQADGILZMOPND-WDZFZDKYSA-N	301.737	1.692	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCCO1)[C@H](C)NC(=O)OC(C)(C)C	496291029	FKQJHXVQWGWQRN-JQWIXIFHSA-N	313.398	1.961	50	20	DDGD	
CC(C)N(C)Cc1ccc(NCc2ccccc2B(O)O)cc1	585045135	CGUNCEXMMJLPAB-UHFFFAOYSA-N	312.222	1.819	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cccc(OCC(F)(F)F)c1	496369020	XJCHNUXOZJDQOQ-UHFFFAOYSA-N	306.240	1.971	50	20	DDGD	
COC(=O)[C@@H]1c2ccccc2CCN1S(=O)(=O)CCl	830754929	QKLNOQHYDJKZRB-NSHDSACASA-N	303.767	1.285	50	20	DDGD	
CC[C@@H](Cc1ccccc1)C(=O)NNc1nnc(C)c(O)n1	732829008	YFJROAGZNNUPQK-LBPRGKRZSA-N	301.350	1.598	50	20	DDGD	
CNc1ccccc1C(=O)NNC(=O)CNC(=O)OC(C)(C)C	495924666	BCVLSGSQWHRZFG-UHFFFAOYSA-N	322.365	1.014	50	20	DDGD	
O=C(NN[C@@H](C(=O)NC1CC1)c1ccccc1)C1CCOCC1	905814632	CDHBVAWOSJMCSN-OAHLLOKOSA-N	317.389	1.054	50	20	DDGD	
COc1cc(C(=O)N2CC[C@H](B(O)O)C2)ccc1OC(C)C	585075130	QJDIHHOUKBHZDZ-LBPRGKRZSA-N	307.155	1.171	50	20	DDGD	
Cn1cc(CN2CC[C@@H](B(O)O)C2)c(-c2ccc(C#N)cc2)n1	585078087	YQZKABUKWKNXMM-OAHLLOKOSA-N	310.166	1.007	50	20	DDGD	
O=C(N[C@@H]1CCCCC12CCCC2)c1cc(B(O)O)ccc1F	584992026	JGUGQMQWKPLGGJ-OAHLLOKOSA-N	319.185	1.738	50	20	DDGD	
CO[C@@H]1CC(=NNC(=O)COc2ccccc2O)C12CCC2	834983617	ZXDSSDXPFCXDQC-CQSZACIVSA-N	304.346	1.832	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2C[C@H]2C(C)C)cc1OC	838761645	VTQXPYLQYCYBPA-NWDGAFQWSA-N	321.377	1.692	50	20	DDGD	
C[C@@H](NC(=O)c1ccc(B(O)O)cc1)[C@H]1CCCc2ccccc21	584980484	AVFVSPNJFQUALG-CXAGYDPISA-N	323.201	1.605	50	20	DDGD	
CN(CCCNCc1ccc(B(O)O)cc1F)c1ccccc1	585013875	ANDWLKHQBQUPQJ-UHFFFAOYSA-N	316.185	1.122	50	20	DDGD	
C[C@@H]1CC[C@H](CNC(=O)NNC(=O)c2cc3ccccc3o2)O1	838741399	CVFBIPWGMIMLKU-ZYHUDNBSSA-N	317.345	1.944	50	20	DDGD	
CCC(F)(F)C(=O)NNC(=O)CSc1ccccc1O	831458846	CCKACEITEIGYIJ-UHFFFAOYSA-N	304.318	1.677	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H](CCN)C(F)F	834832558	XBUWXOHITXVKIG-SECBINFHSA-N	308.760	1.451	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H](Cc1ccc(F)cc1)C(=O)OC	905013022	OUDKNOHMRJQONP-WONIAPNHSA-N	320.320	1.470	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)CCCF	831417720	FEQCWXNAVBKKTA-UHFFFAOYSA-N	300.355	1.684	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1ccc(-n2ccnc2C)cc1	833384773	MMFKCQJZAHZPLA-UHFFFAOYSA-N	315.333	1.289	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)N[C@H]1CCN(C2CC2)C1	734279529	UXAIEHZYSBYMEC-AWEZNQCLSA-N	316.405	1.186	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1F	831682738	IGAZTAQIRVVVDB-IUCAKERBSA-N	311.313	1.412	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2cccc(S(C)(=O)=O)c2)[C@@H](C)O1	834941960	USJFPGQKIOZMFH-NXEZZACHSA-N	310.375	1.373	50	20	DDGD	
CC(=O)CSCC(=O)NNc1cccc(Br)n1	837213407	WNKSZRXRBANPGN-UHFFFAOYSA-N	318.196	1.609	50	20	DDGD	
O=C(NCCOCC1CCCC1)NNC(=O)c1ccccc1O	838731169	QPXGGKOXMAWDLQ-UHFFFAOYSA-N	321.377	1.543	50	20	DDGD	
C=C[C@@H]1CCCCN1CC(=O)NNC(=O)Cc1ccccc1C	839586823	YMCGQQZRPDIORO-MRXNPFEDSA-N	315.417	1.725	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@H]1CCCc2occc21	918068570	VBMMIQSBQBNUJE-QMMMGPOBSA-N	305.256	1.940	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NN=Cc2ccnn2C)cc1	914559638	SICPNBZGZDXEPJ-GFCCVEGCSA-N	316.361	1.736	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)nn1C(C)C	831871002	OPNCIWUOUAJDJB-GHMZBOCLSA-N	309.370	1.350	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cn1	747986759	XRCHAEBPOULFJG-UHFFFAOYSA-N	316.273	1.533	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2ccc3nnnn3c2)c1	748905114	DUTKUYGKCDGCPX-UHFFFAOYSA-N	302.269	1.029	50	20	DDGD	
CN(C)c1ccc(NC(=O)NN=C2CN3CCC2CC3)cc1	741765154	QQYNKKNYFVSHDP-UHFFFAOYSA-N	301.394	1.956	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCn2cccc2)cc1	746096729	YJDZWZSRXIWPGF-UHFFFAOYSA-N	301.346	1.413	50	20	DDGD	
CCN1C[C@@H](CNC(=O)NNc2ccccc2Cl)CC1=O	845492409	UNWQDLACOJUQHQ-SNVBAGLBSA-N	310.785	1.835	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H]2CCCNCC2)c(F)c1	841979753	VXCWIGOMUJZNGF-LLVKDONJSA-N	324.356	1.381	50	20	DDGD	
COC(=O)[C@H](NNC(=O)[C@@H]1CCCCO1)c1ccc(F)cc1	842151045	PNNQWCAVCUAPTI-QWHCGFSZSA-N	310.325	1.230	50	20	DDGD	
COc1cc(C(=O)NN=Cc2cnon2)ccc1OC(C)C	841612322	IDLJWZQFZOJITI-UHFFFAOYSA-N	304.306	1.629	50	20	DDGD	
CSc1ncc(C(=O)NNC(C)=O)n1-c1ccc(F)cc1	912691960	VEXFMEPUFZKHPC-UHFFFAOYSA-N	308.338	1.514	50	20	DDGD	
C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)NNC(=O)c1cccn1C	747349691	KQMHNZWEFDHIIE-YVEFUNNKSA-N	315.373	1.341	50	20	DDGD	
O=C(C[C@H]1C(=O)Nc2ccccc21)NNC(=O)CC(F)(F)F	748838100	IORZYCVQJSLSFK-MRVPVSSYSA-N	315.251	1.212	50	20	DDGD	
NC[C@H](NC(=O)NNC(=O)CCCc1ccccc1)C1CC1	841949296	ZUMTYNSZBWRMJX-AWEZNQCLSA-N	304.394	1.077	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H]2CC=CCC2)c1	744533205	WFFGACIDVQVZBI-ZDUSSCGKSA-N	316.357	1.656	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cc(-c2ccco2)on1	918707227	IRKLIGLWCULLAG-UHFFFAOYSA-N	318.211	1.441	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1c[nH]c2cc(Cl)ccc12	918711774	ZUHFHHBIYRHFQO-UHFFFAOYSA-N	318.764	1.894	50	20	DDGD	
COc1cccc(CCC(=O)NNc2ncccn2)c1OC	913044302	KPYCJMODBBUDEH-UHFFFAOYSA-N	302.334	1.570	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(OCc2ccccc2)cn1	910181001	BOOJVUAYTPGOOO-ZDUSSCGKSA-N	315.373	1.618	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2nc(C)cc(C)n2)CCCC1	843762532	ZEUPYMXZIBVRCV-UHFFFAOYSA-N	306.366	1.660	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H]([C@H]1CCCO1)C1(CO)CCC1	912203871	CBFHJIQKPGKXLE-XMNZZIDVSA-N	308.378	1.257	50	20	DDGD	
Cn1c(NNC(=O)CN2CCCCCC2=O)nc2ccccc21	848378026	HEEFLVPEHBFVNL-UHFFFAOYSA-N	315.377	1.419	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)CN(C)CC(=O)NC(C)C	748571239	YFTKCPOUKUCYFG-UHFFFAOYSA-N	310.373	1.034	50	20	DDGD	
CC1(NC(=S)NNC(=O)CNc2ccccc2F)CCC1	840702157	DYIPEPYIZJLJPD-UHFFFAOYSA-N	310.398	1.676	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCO[C@@H]2C(F)(F)F)cn1	912082816	ZLQBBRWTMBLPAU-VCFDLTMXSA-N	300.240	1.074	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2cn(C)c3ccccc23)c2ncnn21	841616863	QLLNJHRMEVNIBW-SNVBAGLBSA-N	308.345	1.869	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=C1CO[C@@H](C)C1	842520281	FMUSBHZEWBWGCS-NSHDSACASA-N	300.362	1.880	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H](C)C(F)(F)F)c1	742469681	GRBIXKIPACSVHR-SECBINFHSA-N	304.268	1.720	50	20	DDGD	
CSc1ccccc1CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843663970	ZZAKBTAPVWLHIN-ZYHUDNBSSA-N	308.403	1.523	50	20	DDGD	
O=C(CCc1nc2ccccc2o1)NNc1ncnc2[nH]cnc12	743468357	CWRYKYMUIMABMH-UHFFFAOYSA-N	323.316	1.570	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)C(C)(C)C)C[C@@H](C(F)(F)F)O1	745998671	NLJREYHWSQERBV-SFYZADRCSA-N	311.304	1.425	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=Cc1cccc(O)c1O	747637056	YTNGCTBTBKATJW-UHFFFAOYSA-N	310.313	1.438	50	20	DDGD	
CCCCC[C@@H](O)C(=O)NNc1ncc(Br)cn1	848322405	AGRIESCFBYPMCA-SECBINFHSA-N	317.187	1.623	50	20	DDGD	
O=C(NNC(=S)NCC1CC1)c1ccc(Cl)cc1F	849259411	ZGLCHMBORQVUNH-UHFFFAOYSA-N	301.774	1.998	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)Cc1ccc2c(c1)NC(=O)C2	848082225	DBBKUSDRQLLVSX-UHFFFAOYSA-N	301.173	1.986	50	20	DDGD	
CN(NC(=O)N[C@@H]1CCc2c(nnn2C)C1)c1ccccc1	848669975	LDGNTDGVZMNCND-LLVKDONJSA-N	300.366	1.023	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CCO[C@@H]2C)cc2c1OCO2	842560441	XQKVBKLTGSWJSQ-KOLCDFICSA-N	306.318	1.299	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNC(=O)CCc1ccccc1	751821853	MXROIXOCYZFPFK-UHFFFAOYSA-N	321.377	1.293	50	20	DDGD	
CCN(CC(=O)NNC(=S)NCC1CCC1)c1ccccc1	855091707	APIUZVWGHZKSSP-UHFFFAOYSA-N	320.462	1.808	50	20	DDGD	
CN1C[C@H](C(=O)NNc2nc3ccc(Cl)cc3s2)CC1=O	856234165	OMRIEUOQFVDBMD-SSDOTTSWSA-N	324.793	1.871	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)Cc2ccc(O)c(F)c2)n1	857541469	SXNHYSRAEVAWKH-UHFFFAOYSA-N	310.716	1.969	50	20	DDGD	
CCN(CC)CCNC(=O)NC[C@]1(C)C[C@@H]1Br	856829604	QUUALQBEYWRUBJ-JQWIXIFHSA-N	306.248	1.801	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)CCc2ccccc2)[C@@H]1C	859004433	DHDQJCMGUGKYAF-OQMKEHIESA-N	304.390	1.826	50	20	DDGD	
CCN1CC[C@H](NC(=O)NNc2ccc(F)cc2Cl)C1=O	922383572	MVYDCAMUYFYFQK-NSHDSACASA-N	314.748	1.726	50	20	DDGD	
COCCOc1ccc(CC(=O)NNC(=O)C2CCCC2)cc1	757835480	FNCFCZVZFZLZTI-UHFFFAOYSA-N	320.389	1.592	50	20	DDGD	
CCCN(NC(=O)c1ccc(C(N)=O)[nH]1)C(=O)OC(C)(C)C	857255806	WVFXGSXNEIMFFO-UHFFFAOYSA-N	310.354	1.406	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2c(C)nn(C)c2Cl)n1	857541138	JXKWVAKEYNIPKN-UHFFFAOYSA-N	315.164	1.891	50	20	DDGD	
CC(CN1Cc2ccccc2C1=O)=NNC(=O)c1ccccn1	754900518	IXUPQULPBJWYSF-UHFFFAOYSA-N	308.341	1.843	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C2(C(C)C)COC2)c1	929249436	NHTJWOSBQKKDPL-UHFFFAOYSA-N	307.419	1.985	50	20	DDGD	
O=C(NN=C/C=C\c1ccco1)c1ccc(-n2cnnn2)cc1	920368297	UZUSVORLNXVTCQ-OQKRJFEZSA-N	308.301	1.684	50	20	DDGD	
C=CC[C@@H](C)NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	852120040	MEQLQXZPGFLNKA-LLVKDONJSA-N	312.414	1.224	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)OCC(F)(F)F)c1ccncc1	856021841	TXNVAZFFRKTDRW-QMMMGPOBSA-N	305.256	1.895	50	20	DDGD	
CNc1nnc(CC(=O)NNc2cccc([N+](=O)[O-])c2)s1	759976119	OSYHQTGIJLHJNW-UHFFFAOYSA-N	308.323	1.174	50	20	DDGD	
O=C(NNC(=O)N1CC(F)(F)C(F)(F)C1)c1cccc(F)n1	852710613	SZTWZPICWBJRLO-UHFFFAOYSA-N	324.209	1.161	50	20	DDGD	
C[C@]1(CNC(=S)NC[C@@H]2CCOC2)C[C@H]1Br	857203818	CSMDEVKUXQHOSR-IQJOONFLSA-N	307.257	1.661	50	20	DDGD	
C[C@@H]1[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)CCC[C@H]1C	853227614	RFWWTVUFVZVJDZ-VWYCJHECSA-N	308.357	1.989	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cnc2c(cnn2C(C)C)c1	854926579	DOXLMLBZAVERSG-UHFFFAOYSA-N	306.395	1.093	50	20	DDGD	
CCC[C@H](C)N(C)CC(=O)NNC(=O)c1cccc(C#N)c1	756488308	MSEMBKQBDQIOJI-LBPRGKRZSA-N	302.378	1.440	50	20	DDGD	
Cc1nc(CC(=O)NN=C2C(=O)Nc3c(F)cccc32)cs1	753956633	ZWZVMLPGXJZYFW-UHFFFAOYSA-N	318.333	1.606	50	20	DDGD	
Cc1nc(C)c(NC(=O)NNC(=O)Cc2cccnc2)s1	757586027	BRQVLQSFRMJVGO-UHFFFAOYSA-N	305.363	1.550	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)N[C@H](C)C2CCC2)c1	756100085	SOCQRPOJPXEZND-SNVBAGLBSA-N	321.377	1.836	50	20	DDGD	
COC[C@H](C)CC(=O)NNc1ccccc1S(C)(=O)=O	755802360	VQKIFAQBYOGCTP-SNVBAGLBSA-N	300.380	1.206	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)C(C)(C)C)c1ccc(N)nc1	853407935	JHEGRBAXLUDACW-UHFFFAOYSA-N	319.409	1.447	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCc2cn[nH]c2)c1C	854067531	AMOKWICFCMVZSF-UHFFFAOYSA-N	317.349	1.374	50	20	DDGD	
Cn1nncc1C=NNC(=O)c1cc2c(s1)CCCCC2	751133821	GRESUZHDUBKAJB-UHFFFAOYSA-N	303.391	1.909	50	20	DDGD	
CC(C)[C@H]1C[C@H](C(=O)NNC(=O)NCC(F)(F)F)CCO1	935802928	PVLYNRHOASXCDZ-RKDXNWHRSA-N	311.304	1.330	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2cnc([C@@H]3CCCO3)s2)cn1	755733659	RBKSCUOQFLJYGV-NSHDSACASA-N	305.363	1.492	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(Br)ccc1C	755962377	AHMFHZAHEVPUFW-UHFFFAOYSA-N	316.155	1.557	50	20	DDGD	
Cc1ccc(-c2nc(C=NNC(=O)C(=O)NC3CC3)co2)cc1	755610684	ICBFOJJFEFOZJS-UHFFFAOYSA-N	312.329	1.379	50	20	DDGD	
CC(C)(C)OC(=O)[C@H](C(=O)NNC(=O)c1cn[nH]c1)C(C)(C)C	862467142	RDDUBAUKIMVRSI-JTQLQIEISA-N	324.381	1.175	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCN2C2CCCC2)cc1O	862468970	UXTHWIOCNMJVKY-CQSZACIVSA-N	317.389	1.479	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)COC(F)(F)F	931163614	IYEGEHYAQJPKGY-UHFFFAOYSA-N	306.240	1.139	50	20	DDGD	
C[C@H](C[S@](C)=O)N(C)S(=O)(=O)CC(C)(C)CCl	867095613	UVOIFDDEMHOXFJ-ABKXIKBNSA-N	303.877	1.280	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1cc2c(cc1O)OCO2	768505255	WOXJXKRGWYQRHA-UHFFFAOYSA-N	312.285	1.754	50	20	DDGD	
CCC[C@@H](C)N1C[C@H](C(=O)NNc2cccc(C)n2)CC1=O	862523514	HHXNKYFHPSPELV-CHWSQXEVSA-N	304.394	1.870	50	20	DDGD	
C[C@@H](NNC(=O)c1cccc(N2CCOC2=O)c1)C(F)(F)F	862308460	AWFMDCDKBUSAJG-MRVPVSSYSA-N	317.267	1.828	50	20	DDGD	
COc1ccc2nc(C)c(C(=O)NNC(=O)C(C)(C)O)cc2c1	768260856	HPQTVOLCISORTF-UHFFFAOYSA-N	317.345	1.084	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC2CC2)cnc1Br	930719686	CWIKZPZYVTVFMU-UHFFFAOYSA-N	313.155	1.259	50	20	DDGD	
COCCCNC(=O)COC(=O)[C@H](Br)C(C)(C)C	766752198	PLMXRPZVVHMBLB-JTQLQIEISA-N	324.215	1.492	50	20	DDGD	
C[C@H](NNC(=O)CNc1ccccc1[N+](=O)[O-])C(F)(F)F	862309483	QZYIVMOVBPLYQI-ZETCQYMHSA-N	306.244	1.578	50	20	DDGD	
CS[C@H](C(=O)NNC(=O)Cc1cc(C)[nH]n1)c1ccccc1	869014163	OZUXYDZJGDISDL-AWEZNQCLSA-N	318.402	1.512	50	20	DDGD	
CC(C)(C)c1ccc(CCC(=O)N2CC[C@@H](B(O)O)C2)cc1	864234739	UYADSVUSAFLXKU-OAHLLOKOSA-N	303.211	1.992	50	20	DDGD	
C[C@@H](CCc1ccc(F)cc1)C(=O)NNC(=O)c1cnn(C)c1	865936421	KSMGZJVLEMFWEZ-NSHDSACASA-N	318.352	1.589	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)C1CCC(C(F)(F)F)CC1	767461905	LJSIBEFBZAVCES-UHFFFAOYSA-N	323.315	1.027	50	20	DDGD	
C[C@H]1CN(c2ccc(C(=O)NNC(=O)N(C)C)cc2)C[C@H](C)O1	865047530	QFFNJICRZFJMAR-RYUDHWBXSA-N	320.393	1.216	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1c(F)cccc1Cl	765008520	WVGXTIUGGUYLAG-UHFFFAOYSA-N	300.717	1.667	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1c(Br)cnn1C	864350007	ARNSIGXGTUJODQ-YVMONPNESA-N	313.155	1.243	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(CN(C)C(=O)OC)cc1	878744516	SREJYCCBXWAVIM-UHFFFAOYSA-N	324.381	1.500	50	20	DDGD	
COc1cc(C(C)=NNC(=O)c2ccccn2)c(OC)cc1O	763106492	VKSNLRUEZDEQGM-UHFFFAOYSA-N	315.329	1.958	50	20	DDGD	
Cc1cnn(CC(=O)NNC(=S)Nc2ccc(C)c(C)c2)c1	873764662	IKIONSOFPPROEM-UHFFFAOYSA-N	317.418	1.826	50	20	DDGD	
CN1C(=O)C[C@@H](C(=O)NNC(=O)C2CCCC2)c2ccccc21	1115839739	FIXBVIMSJUNRFW-CYBMUJFWSA-N	315.373	1.474	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NN=Cc1ccc(F)nc1	777422738	HMOWSTXOMPZLNC-UHFFFAOYSA-N	318.264	1.658	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2nc(C)c(C)s2)nc1	770680110	VNHOYBFZSNGKFB-UHFFFAOYSA-N	306.347	1.698	50	20	DDGD	
COC(=O)C(=O)NN=C/C(C)=C\c1ccccc1OC(F)F	1117684540	ZZDACJRNDVVSSM-SAFNUDAISA-N	312.272	1.966	50	20	DDGD	
CCc1ncc(C=NNC(=O)CCN2CCC(C)CC2)cn1	1118024448	FKMRIRKMYAPZEG-UHFFFAOYSA-N	303.410	1.611	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)N[C@H]1CC12CCC2	873262121	VMCHAQOYMZIUDL-LBPRGKRZSA-N	321.402	1.757	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1nccs1	1118126416	OIOPPVOYXCZASJ-BBBLOLIVSA-N	312.395	1.002	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2CCCN2C=O)c(C)c1	873761028	NKVGVHGSXNHVHC-ZDUSSCGKSA-N	320.418	1.242	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)c2ccccc2O)c1C1CC1	878003996	LUTIMHINJCMIOZ-UHFFFAOYSA-N	314.345	1.561	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1	775550349	ZRSRRVFQKNXPCE-GHMZBOCLSA-N	322.365	1.500	50	20	DDGD	
Cc1nc(C)c(NC(=O)C(=O)NNc2ccc(C#N)cc2)s1	773701445	HLRUQSIZOGNVOA-UHFFFAOYSA-N	315.358	1.713	50	20	DDGD	
CC(C)CN(C1CCN(C)CC1)S(=O)(=O)CCCCl	881806724	OIMZDEZNWNIRPS-UHFFFAOYSA-N	310.891	1.997	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)n1cc(-c2cc(F)cc(F)c2)nn1	881292917	HRQRMAKKGZGBHD-QMMMGPOBSA-N	323.303	1.342	50	20	DDGD	
Cn1nncc1NNC(=O)CCc1ccccc1C(F)(F)F	880122225	HEEPRKYKQOZCKL-UHFFFAOYSA-N	313.283	1.910	50	20	DDGD	
CCc1nnsc1C(=O)NNc1ccccc1C(=O)OC	780739029	WZDNAGXZDIPOIH-UHFFFAOYSA-N	306.347	1.644	50	20	DDGD	
N#CCCCNC(=O)NNC(=O)NCc1ccc(Cl)cc1	784442390	LDGHJKARAVZOEF-UHFFFAOYSA-N	309.757	1.657	50	20	DDGD	
Cc1ccc(F)c(C(=O)NNc2ccccc2S(N)(=O)=O)c1	788230258	LMCLSYOKCSAEKP-UHFFFAOYSA-N	323.349	1.538	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc(N=S(C)(C)=O)cc1	888237418	GCRJYADPMHZHFI-UHFFFAOYSA-N	312.395	1.854	50	20	DDGD	
C[C@H]1CCc2[nH]nc(C(=O)NNC(=O)c3ccccc3F)c2C1	895462957	ZPDDBIKBZJOCST-VIFPVBQESA-N	316.336	1.748	50	20	DDGD	
CCn1cc(CC(=O)NNC(=O)CCc2ccccc2)cn1	780537031	CCKBWRXUZAUUJL-UHFFFAOYSA-N	300.362	1.226	50	20	DDGD	
CC(=O)NNC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F	785956225	OWVUJZLBYFKTQT-UHFFFAOYSA-N	312.251	1.672	50	20	DDGD	
CC(=NNC(=O)Cn1c(C)nc2ccccc21)c1nccnc1C	783512314	ZRSSCGUVCZXXRA-UHFFFAOYSA-N	322.372	1.984	50	20	DDGD	
CN(CCCNS(=O)(=O)CCCCCl)CC(F)(F)F	780703809	SVHNOHUHCLJUAQ-UHFFFAOYSA-N	324.796	1.809	50	20	DDGD	
C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NN(C)C(=O)NCC	780706712	QSONKRPAWTWSJC-NSHDSACASA-N	316.361	1.194	50	20	DDGD	
CC(=NNC(=O)C(=O)NC(C)C)c1cnn(C(C)(C)C)c1C	787151846	MTAHFIJGLCQBGM-UHFFFAOYSA-N	307.398	1.311	50	20	DDGD	
CCC[C@@H](C)N1C[C@H](C(=O)NNc2ccc(C#N)cn2)CC1=O	899664109	QWFFYCLSLWALQZ-DGCLKSJQSA-N	315.377	1.433	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2cccc([N+](=O)[O-])c2)n1	794080891	ZLTOKSWUBITJMQ-UHFFFAOYSA-N	314.301	1.302	50	20	DDGD	
CC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(O)nn1	790136655	QFCVWBRVEUARGA-UHFFFAOYSA-N	301.262	1.244	50	20	DDGD	
CN(C)CC(=O)NN=C1CC(C)(C)Oc2ccc([N+](=O)[O-])cc21	794901105	AHFQMUCTRUYXGX-UHFFFAOYSA-N	320.349	1.538	50	20	DDGD	
CN1CC[C@@H](NC(=O)[C@@H](Br)C(C)(C)C)CC1=O	793918461	DKZZHALXXWENSS-PSASIEDQSA-N	305.216	1.533	50	20	DDGD	
CCN(C(=O)[C@@H](Br)C(C)(C)C)[C@H]1CCNC1=O	799770583	CHVWPNMWYXYXHA-DTWKUNHWSA-N	305.216	1.533	50	20	DDGD	
Cc1oc(C#N)cc1C(=O)NNc1cccc(S(C)(=O)=O)c1	797973862	NRVDYAUZDMGTRD-UHFFFAOYSA-N	319.342	1.620	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1ccnn1-c1ccc(F)cc1	794515840	VUBKZTLICOPFAX-UHFFFAOYSA-N	312.308	1.807	50	20	DDGD	
Cc1cccnc1NNC(=O)C[C@@H](NC(N)=O)c1ccccc1	791224148	PVCBRXOTJIOKEI-CYBMUJFWSA-N	313.361	1.633	50	20	DDGD	
C[C@@H]1CCC[C@@H](CNC(=O)NNC(=O)c2cnn(C)c2)[C@@H]1C	796635227	FHHGUIOYQQBCIK-UTUOFQBUSA-N	307.398	1.436	50	20	DDGD	
CCc1cccc2c1N(C(=O)C(=O)NNc1ncccc1C)CC2	792375144	DSKWLGLYGQWVBZ-UHFFFAOYSA-N	324.384	1.985	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=C1CC(=O)N2CCCC[C@H]12	799473963	SEXONTXLASQFDZ-DZGCQCFKSA-N	320.437	1.365	50	20	DDGD	
C[C@@H](CC(=O)OC(C)(C)C)NC(=O)NNC(=O)C(C)(C)C	1318372136	FUSPGRLUJRUSJR-VIFPVBQESA-N	301.387	1.483	50	20	DDGD	
CCCCOCCNC(=O)NNc1nncc(N)c1Cl	1319290752	QITFUCMKDRVOEU-UHFFFAOYSA-N	302.766	1.155	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C1CC(OCc2ccccc2)C1	1319012235	FXHBHYZSZQLXDA-UHFFFAOYSA-N	321.446	1.886	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)NNc1ccn(C)n1	1325428795	UKGIIFOVGUGIDP-ZJUUUORDSA-N	311.386	1.413	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)n2cccc2)cc1	1321738644	BLWAJSQRFORIOQ-GFCCVEGCSA-N	314.345	1.144	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)Nc1ccc(F)nc1	1320260084	RPIADCNKRVCIOS-UHFFFAOYSA-N	318.312	1.289	50	20	DDGD	
O=C(CCl)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1	1323269726	PQHYZENRFBGBAH-VIFPVBQESA-N	317.798	1.297	50	20	DDGD	
CNC(=O)Cc1ccccc1NC(=O)NNC(=O)CC(C)C	1321010078	JLTMGTYNVZTPPN-UHFFFAOYSA-N	306.366	1.174	50	20	DDGD	
CC1CCN(CCC(=O)NN=C2COc3cc(O)ccc32)CC1	1321691653	IUGJUGJALDFQPO-UHFFFAOYSA-N	317.389	1.727	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cn(C(C)(C)C)nn2)cc1	1320686088	CSIHDFDMELLHQX-UHFFFAOYSA-N	301.350	1.806	50	20	DDGD	
CCC[C@H](C)NC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1329505838	JMEPSLWAEADTMG-HOTUBEGUSA-N	305.216	1.581	50	20	DDGD	
CN(C)[C@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccccc1F	1321721328	QDVIZEWQAMNVFI-KGLIPLIRSA-N	322.384	1.643	50	20	DDGD	
Cc1c(C(=O)NNC(=S)NC(C)(C)C)ccc2cncn12	1332378656	FLCWZORXQJSNOP-UHFFFAOYSA-N	305.407	1.550	50	20	DDGD	
CCCCN(C)CCNC(=O)NNC(=O)c1ccc(OC)cc1	1338958018	HFENCQDSLVQCGP-UHFFFAOYSA-N	322.409	1.371	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)c2cccnn2)C[C@@H]1C	1331344541	GZGCTXXPVCFOBD-JQWIXIFHSA-N	304.350	1.562	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cc3c(nc2O)CCC3)c1Cl	1333588019	NZWPMQAWXKALQQ-UHFFFAOYSA-N	320.740	1.058	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccccc1N1CCCC1=O	1338862087	MJVXVLNYVAIIFR-UHFFFAOYSA-N	301.346	1.375	50	20	DDGD	
COc1ccc(Br)c(C=NNC(=O)CCO)c1	1340909267	ATGNMWPLJLMEAZ-UHFFFAOYSA-N	301.140	1.290	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CCO[C@H]2C2CC2)c1	1341130172	NKKSTUINWHDZSD-PWSUYJOCSA-N	309.391	1.568	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CC(F)(F)F)c(C(F)(F)F)c1	1342420904	UAQVAXKCMWNIKG-UHFFFAOYSA-N	317.189	1.757	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CC[C@@H]3C[C@H](C)CN3C2)nc1	1346650847	YVIBIJITIAMDHH-YNEHKIRRSA-N	304.394	1.654	50	20	DDGD	
N#C[C@@H]1CCCN(C(=O)NNC(=O)CCCc2ccccc2)C1	1353248480	HDEMFCXFMBDKLO-HNNXBMFYSA-N	314.389	1.986	50	20	DDGD	
COCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CCl	1609325513	KIJHQVPLRALFGT-UHFFFAOYSA-N	309.757	1.081	50	20	DDGD	
CCC(=NNC(=O)C(=O)O)[C@H]1CCCN1C(=O)OC(C)(C)C	1604851215	FKLLWJFNFYHJJN-SNVBAGLBSA-N	313.354	1.353	50	20	DDGD	
CO[C@@H](C)C(=O)NNc1cc(C(=O)O)ccc1Br	1606659209	JVPGUYIULQRPTL-LURJTMIESA-N	317.139	1.625	50	20	DDGD	
Cc1ccc(OCC(=O)NNc2ccc(C(=O)O)cn2)cc1	1600467766	AHQQZEYUKSIWDI-UHFFFAOYSA-N	301.302	1.610	50	20	DDGD	
O=C(O)[C@H]1CC[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2)CC1	1602213327	PXFGADNCGXZQCW-MGCOHNPYSA-N	307.306	1.929	50	20	DDGD	
O=C(Cn1cc(C(=O)O)c2ccccc21)NN=c1cc[nH]cc1	1608373949	NRGZTAGMHCLJDZ-UHFFFAOYSA-N	310.313	1.300	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc(C(=O)O)[nH]1	1601359864	XICRXQARSGKBKA-UHFFFAOYSA-N	321.720	1.370	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)Cn1cc(C(=O)O)nn1	1600425715	DXMUIMBJXZXQLP-UHFFFAOYSA-N	309.713	1.081	50	20	DDGD	
O=C(C[C@H]1CCCC[C@@H]1O)NNc1ccc(C(=O)O)cc1F	1601352653	KOEXXGXDAHDIHF-RNCFNFMXSA-N	310.325	1.908	50	20	DDGD	
Cc1c(C(=O)NCCCSC#N)cccc1-c1nn[nH]n1	1605477919	VVOGVFWYLVEWCW-UHFFFAOYSA-N	302.363	1.509	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)CCn1ccnc1	1610287986	SGYGYFMRHDMRPI-UHFFFAOYSA-N	304.306	1.123	50	20	DDGD	
Nc1cnnc(NNC(=O)Cc2cccc(C(=O)O)c2)c1Cl	1610648339	RWOYXCBIDXMWJY-UHFFFAOYSA-N	321.724	1.096	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@@H]2CCC[C@H](C(=O)O)C2)n1	1610648936	QYAOCSLVBDHQAO-RQJHMYQMSA-N	313.745	1.046	50	20	DDGD	
O=C(CCc1ccccc1C(=O)O)NNc1ccc(Cl)nn1	1610659811	WNHCMKZCLIKGQM-UHFFFAOYSA-N	320.736	1.904	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2n[nH]c3c2CCC3)c1F	1610848728	RZLLDPKVWYGTGL-UHFFFAOYSA-N	304.281	1.493	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H]2C[C@]23CCNC3)cc1C	1573793865	QTYVJFCWXVUWGJ-YOEHRIQHSA-N	317.389	1.614	50	20	DDGD	
O=C(O)[C@]1(C(=O)NNc2cccc(C(F)(F)F)c2)CCCO1	1574633602	OWLNMONCSWVAKW-GFCCVEGCSA-N	318.251	1.782	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)CC2CCNCC2)c1	1579706265	NJIOENSIUUMTBH-UHFFFAOYSA-N	324.425	1.841	50	20	DDGD	
C/C(=C(/F)C(=O)NNc1ccc(-c2nn[nH]n2)cn1)C1CC1	1588751186	KQWSUUHXUVNIRD-XFFZJAGNSA-N	303.301	1.358	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C)c1ccc(OCC(=O)O)cc1	1596863661	RDDJJPXJGJEBSV-VSXLWIIGSA-N	318.329	1.771	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cccc(C(=O)O)c2)nc1	1594373192	HKRBJRGZZNRBQQ-UHFFFAOYSA-N	314.301	1.170	50	20	DDGD	
O=C(O)CC[C@@H]1C[C@H](C(=O)NNc2cc(Cl)ccn2)CO1	1595004863	LDYOJQXHMOTZHQ-WCBMZHEXSA-N	313.741	1.448	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H]1C(=O)NNc1ccc(OC(F)F)cc1	1595182349	PULXCRXBZMDCBH-NXEZZACHSA-N	300.261	1.842	50	20	DDGD	
COC(=O)N(C)N=Cc1ccc(N2CCC(C(=O)O)CC2)o1	1593856058	VKVVKASXUCYROO-UHFFFAOYSA-N	309.322	1.613	50	20	DDGD	
C[C@@]1(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)CCCS1	1590120394	NKONKQFQSQQUPG-AWEZNQCLSA-N	316.390	1.868	50	20	DDGD	
C#CCCCC(=O)NN=Cc1cn(CC(=O)O)c2ccccc12	1776105024	LQKUQZGAJXKAEB-UHFFFAOYSA-N	311.341	1.980	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=Cc2cc([N+](=O)[O-])co2)c1	1776096093	KNUZTRJAXWBGOF-UHFFFAOYSA-N	303.230	1.650	50	20	DDGD	
O=C([C@@H](F)Cl)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C13CC(C1)C3)C2	1796810273	SGTIGHMGHICJGR-ATJFVBSUSA-N	314.788	1.959	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cncn1-c1ccccc1	14895348	DVKAQXBNYDGQPM-UHFFFAOYSA-N	317.418	1.780	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(-c2ccccc2)on1	161275808	AVWYUXZPPIOCAR-CYBMUJFWSA-N	315.329	1.672	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)[C@]1(O)CCSC1	158950919	DURFQPXZPCUVFT-LBPRGKRZSA-N	304.318	1.599	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(Br)cc1	160357789	OGZQIWYJULFMBD-UHFFFAOYSA-N	316.155	1.638	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H](C)OC[C@@H]2CCCO2)c1	155798166	YKBKKZSVDUAWIN-MFKMUULPSA-N	312.341	1.862	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1	154327591	HKWZZQHOSYCMFX-UHFFFAOYSA-N	302.309	1.777	50	20	DDGD	
O=S(=O)(CCCCCl)NC[C@H](O)c1cccc(F)c1	154328121	UKOQSFSUTYDLSX-LBPRGKRZSA-N	309.790	1.798	50	20	DDGD	
CC[C@H](C(=O)OC)C(=O)N(C)NC(=O)OCc1ccccc1	862290316	UNRXIJVKRLXHCT-LBPRGKRZSA-N	308.334	1.485	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1	7406596	MFYDQTZENDNHQK-HNNXBMFYSA-N	312.325	1.596	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCc2ccccc2C1	109824254	JXBSSLMYKZHPCA-ZDUSSCGKSA-N	303.406	1.627	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)cn1	25081104	GDXLAOSIHHQPNM-UHFFFAOYSA-N	323.356	1.280	50	20	DDGD	
COc1ccc(OCCCC(=O)NNc2cnccn2)cc1	114877910	YFVSDHKYZMJBCM-UHFFFAOYSA-N	302.334	1.788	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cccc3ncccc23)n(C)n1	171685852	JMIKCEAFJSADGV-UHFFFAOYSA-N	324.344	1.743	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21	10416018	KURJVQWLKWZRDH-JTQLQIEISA-N	323.324	1.807	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1cccc(Cl)n1	102787172	ZCZJWVANZJZATI-UHFFFAOYSA-N	316.708	1.937	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(I)c[nH]1	115315751	OBSDCZHPHVZKFR-UHFFFAOYSA-N	323.090	1.010	50	20	DDGD	
CS[C@@H]1CCC[C@@H](NC(=O)NNC(=O)Cc2ccncc2)C1	176375720	LFDDUCGATDUTLX-CHWSQXEVSA-N	322.434	1.629	50	20	DDGD	
N#Cc1ccc(NCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1	61633461	LDIGECVATIXJPE-UHFFFAOYSA-N	319.324	1.303	50	20	DDGD	
Cc1ccc(N2C[C@@H](C(=O)NNC(=O)C3CC3)CC2=O)cc1F	29509489	XMFYJLYMDBPEGW-NSHDSACASA-N	319.336	1.044	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNc1cccc(OC)n1	180714903	KTIGBLXHGJTIOB-NSHDSACASA-N	306.366	1.324	50	20	DDGD	
C[C@@H]1CCC[C@@H](OCC(=O)NNC(=O)c2cccc(C#N)c2)C1	112581358	ZFZRQVXTVXFKLR-IUODEOHRSA-N	315.373	1.915	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2cnn(C)c2)cc1[N+](=O)[O-]	186385971	FOQARIBDKYUOHY-UHFFFAOYSA-N	318.293	1.103	50	20	DDGD	
CN(CC(=O)NNc1cc(F)c(F)c(F)c1)[C@H]1CCSC1	127016754	PUMNMKPCCHTZMT-VIFPVBQESA-N	319.352	1.984	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)C1=Cc2ccccc2CC1	64375516	IBZCGKMYEZRBFE-UHFFFAOYSA-N	323.418	1.907	50	20	DDGD	
CS[C@H](C)CC(=O)NNC(=O)Cc1cn2ccccc2n1	126337734	XQSVXYCLIMIBQT-SNVBAGLBSA-N	306.391	1.166	50	20	DDGD	
CC(C)CCN(CCC#N)CC(=O)NNC(=O)c1ccccc1	182391619	MJFOCSJDYZWORD-UHFFFAOYSA-N	316.405	1.709	50	20	DDGD	
CCOc1cnc(C(=O)NNC(=O)Cc2ccccc2F)cn1	187788657	IOZNGIPJRAYHRP-UHFFFAOYSA-N	318.308	1.018	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1csnn1	79391590	NFTJVNLNCNBGFV-UHFFFAOYSA-N	312.738	1.275	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc2c1CCCC2	124763956	SSUNTSGWFZAHGO-LLVKDONJSA-N	317.389	1.697	50	20	DDGD	
CC(=O)N1CCc2cc(C(=O)NNc3ccnc(F)c3)ccc21	182453341	JZOONTDZXQXPKS-UHFFFAOYSA-N	314.320	1.887	50	20	DDGD	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NN(C)C(N)=O	182670394	FRQBHFGOCFQOCZ-MRVPVSSYSA-N	303.284	1.926	50	20	DDGD	
CC(=O)NNC(=O)Nc1cc(C(F)(F)F)ccc1N(C)C	181953973	WGEBZBNZZUSIEX-UHFFFAOYSA-N	304.272	1.944	50	20	DDGD	
COc1cc(F)c(NC(=O)C(=O)NNc2ccccn2)cc1F	181414568	HXDZTIDIIDPUJH-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)Nc2ccn(C)n2)c1	184697654	DTJRRZZPAOAIQI-UHFFFAOYSA-N	317.349	1.269	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1csc(Br)c1	32261427	NUKCGAIWXNRQOV-ZETCQYMHSA-N	319.180	1.451	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)CCCCNC(N)=O	181316395	AOAAXCWDJQZPBU-UHFFFAOYSA-N	315.377	1.825	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2ccc(F)cc2)n(C)n1	181374442	CZHLYYVHGLRBOF-UHFFFAOYSA-N	305.313	1.203	50	20	DDGD	
COCCCNC(=O)NNC(=O)CC[C@@H](C)c1ccccc1	130523157	LIVVARBJXHOUKA-CYBMUJFWSA-N	307.394	1.937	50	20	DDGD	
C[C@@H](CCC(=O)NNC(=O)C(=O)N1CCCC1)c1ccccc1	130784063	ATUPYXFCJOJTOP-ZDUSSCGKSA-N	317.389	1.340	50	20	DDGD	
O=C(NNC(=O)c1sccc1-n1cccc1)c1ccc[nH]1	192463490	ZMVZCKBNARFCTI-UHFFFAOYSA-N	300.343	1.942	50	20	DDGD	
O=C(CN1CCCCC1=O)NNC(=O)c1cccc(Cl)c1	192499955	CNQFJAAZVXWDGU-UHFFFAOYSA-N	309.753	1.114	50	20	DDGD	
Cc1c(C(=O)NNC(=O)N(C)C)nnn1-c1cccc(Cl)c1	194939267	IREPKCYXJWFISP-UHFFFAOYSA-N	322.756	1.145	50	20	DDGD	
O=C(Cc1c(F)cccc1F)NNc1ncnc2[nH]cnc12	88381852	WXCWTEWPCOGXCU-UHFFFAOYSA-N	304.260	1.317	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2COCCN2C2CCCC2)nc1	194063097	KREKJSHAIBHCGK-AWEZNQCLSA-N	320.393	1.177	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1OCCNC(=O)NNC(=O)c1ccc[nH]1	193815845	UOTMATDNTULTIT-YPMHNXCESA-N	308.382	1.554	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cc2ccccc2oc1=O	191881958	QMKDEQZSCMQYQH-UHFFFAOYSA-N	321.296	1.593	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)c1ccc(Cl)cc1O	48737531	HRNHAAXDKXHRGE-UHFFFAOYSA-N	311.750	1.885	50	20	DDGD	
N#C/C(=C\c1cc(O)ccc1[N+](=O)[O-])S(=O)(=O)NC1CC1	195309280	JMNMZCLHDKXUJE-IZZDOVSWSA-N	309.303	1.247	50	20	DDGD	
CSc1cc(C(=O)NNc2nc3ccccn3n2)ccn1	191927674	YYNJKKAOVFGEJI-UHFFFAOYSA-N	300.347	1.603	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccnc(F)c2)c(C)c1	190299563	NUSMSMQZVMQTGN-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)C[C@@H](C)O1	247598556	SZTZFDJGPOKQLD-AIEDFZFUSA-N	323.437	1.069	50	20	DDGD	
O=C(NC[C@@H]1CCOc2ccccc21)NNC(=O)C1CCC1	264832177	JJPJRFWWZLYIIT-LBPRGKRZSA-N	303.362	1.683	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCN3CCCC[C@@H]23)o1	267667064	DMECPLGFQRSEGD-NEPJUHHUSA-N	306.366	1.159	50	20	DDGD	
N#CC1(C(=O)NNc2ncnc3ccsc23)CCOCC1	269030130	WOMXGUOKJAHDSO-UHFFFAOYSA-N	303.347	1.455	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCSCC[C@H]2C)n1	279672187	NKBZTMVYADJZBX-LLVKDONJSA-N	308.407	1.572	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cccc(-n2cnnc2O)c1C	368168465	SVKOTQPQJYQOTP-DHZHZOJOSA-N	313.317	1.664	50	20	DDGD	
CCNC(=O)Nc1cccc(NC(=O)NNC(=O)C2CC2)c1C	278937689	IRUJGZNIJODBOO-UHFFFAOYSA-N	319.365	1.699	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)[C@H]2CCCO2)c1	273479742	KJSCNJWAHDOWSJ-LLVKDONJSA-N	313.741	1.680	50	20	DDGD	
CC1CCN(C(=O)C(=O)NNC(=O)c2cccc(Cl)c2)CC1	278112572	XKCQFJVJELSRJN-UHFFFAOYSA-N	323.780	1.360	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)Nc1cc(Cl)ccc1F	274079838	QLAOSUGJCCLCIT-UHFFFAOYSA-N	313.716	1.365	50	20	DDGD	
CC[C@@H](C(=O)Oc1ccc([N+](=O)[O-])cc1OC)N1CCCC1=O	272052527	NKIGSSFIARKHHP-NSHDSACASA-N	322.317	1.910	50	20	DDGD	
CC(=O)Nc1cc(NC(=O)NNC(=O)CC2CC2)ccc1F	273305954	GRHFWOANXJAWNY-UHFFFAOYSA-N	308.313	1.737	50	20	DDGD	
COc1cccc(NNC(=O)[C@H](C)OC[C@@H]2CCCCO2)n1	272521651	LFNVUBQINFXAPF-RYUDHWBXSA-N	309.366	1.508	50	20	DDGD	
Cc1ccoc1C(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C	273334206	ZECLEKWBWNOBFP-SECBINFHSA-N	311.338	1.262	50	20	DDGD	
COC(=O)CCOc1ccc(NC(=O)NNC(=O)C2CC2)cc1	274148766	YPZHBNPJMAHOHV-UHFFFAOYSA-N	321.333	1.191	50	20	DDGD	
CCN1CCOC[C@@H]1C(=O)NNc1cc(F)c(F)c(F)c1	372976183	IZCMNTQSURGXRT-LLVKDONJSA-N	303.284	1.268	50	20	DDGD	
Cc1cccnc1NNC(=O)NC[C@H](C(C)C)N1CCOCC1	276715872	RDXHBNSBKKFBHQ-CQSZACIVSA-N	321.425	1.373	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@H]1CCCCC(=O)N1)c1ccccc1	279098769	SWTZIULYZMVJKC-ZDUSSCGKSA-N	317.389	1.170	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNC(=O)OC(C)(C)C)(CC1)C2	373787765	OKPVZPSSNCXEHR-UHFFFAOYSA-N	312.366	1.666	50	20	DDGD	
CCN1CCOC[C@H]1C(=O)NNc1nc2ccccc2cc1C	371520295	RTBXFNYXVAJZCG-HNNXBMFYSA-N	314.389	1.707	50	20	DDGD	
COc1cccc(NNC(=O)Nc2cc3n(n2)CCCC3)n1	287327757	LCHYPPYWLIQRAU-UHFFFAOYSA-N	302.338	1.772	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNc1cccc(C(F)(F)F)n1	287752645	TWOPMGMIEXCFTI-UHFFFAOYSA-N	305.256	1.885	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)n1	280837840	KHXBJVSFYRVMSI-VNQPRFMTSA-N	322.368	1.672	50	20	DDGD	
C[C@H]1Oc2ccccc2[C@H]1NS(=O)(=O)CBr	377382827	MOJMJBYAIKBCRD-XCBNKYQSSA-N	306.181	1.780	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCOc2ccccc2)c(C)n1C	299421262	GSDQJBYSSIAYDO-UHFFFAOYSA-N	315.373	1.872	50	20	DDGD	
CCOc1ccc(NNC(=O)CSc2nc(C)n[nH]2)cc1	294486698	WQYBZQZEWQZZBW-UHFFFAOYSA-N	307.379	1.747	50	20	DDGD	
C=CCOc1ccccc1C(=O)NNC(=O)N=c1cc[nH]cc1	802032295	PLOVIKZPCPLGAV-UHFFFAOYSA-N	312.329	1.535	50	20	DDGD	
Cc1ccccc1C(C)(C)C(=O)NNC(=O)N1CCN(C)CC1	807378977	OJUIDYJVVQRWIA-UHFFFAOYSA-N	318.421	1.261	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNC(=O)C(C)(C)c1ccccc1	806823543	BEAIAJVNTDGQTN-UHFFFAOYSA-N	313.357	1.333	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(F)c(Cl)c2)O1	294192074	KLKTZTQKCMLUSC-CPCISQLKSA-N	300.717	1.808	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)NC[C@@H]2CCCN2C)c1	297367254	VNUURGDGKXCCML-AWEZNQCLSA-N	305.382	1.365	50	20	DDGD	
COCCN(C)CCCNC(=O)NNc1cccc(Cl)n1	293192562	ZAYVCXFEMZEXSP-UHFFFAOYSA-N	315.805	1.329	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(OC)cc1	802058949	RSFMHXOAHWNZQT-NSHDSACASA-N	307.350	1.829	50	20	DDGD	
C[C@@H](NC(=O)c1ccoc1)C(=O)NNC(=O)Nc1ccccc1	801989100	FQYTYLQQVZPAHW-SNVBAGLBSA-N	316.317	1.251	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC[C@H]2CCCCO2)cc1	299212206	JQEOVIUBCJZSEL-CQSZACIVSA-N	321.377	1.273	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)N=c1cc[nH]cc1)c1ccc(F)cc1	802025508	ACDSJESKKBZDOH-ZHACJKMWSA-N	314.320	1.899	50	20	DDGD	
COc1cc(CC(=O)NNC(=O)[C@@H]2CCCCO2)ccc1C	295258012	AWYMRIPUPBTZQM-ZDUSSCGKSA-N	306.362	1.263	50	20	DDGD	
COCCCCNC(=O)NNC(=O)c1c[nH]c2ccccc12	298651161	ARWPGCLIDDNVIE-UHFFFAOYSA-N	304.350	1.539	50	20	DDGD	
C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)NNC(=O)[C@@H]1CCCO1	292010086	MNVJOFBUJUHRID-TVYUQYBPSA-N	305.334	1.018	50	20	DDGD	
CCOc1cccc([N+](=O)[O-])c1C(=O)NNc1ncncc1F	817077222	CMSGUSXUIQKOEB-UHFFFAOYSA-N	321.268	1.680	50	20	DDGD	
O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NNc1cccc(F)c1	815851387	CMSCNOKCEUXGIT-BETUJISGSA-N	317.320	1.220	50	20	DDGD	
Cc1sccc1C=NNC(=O)Cc1cc(O)nc(S)n1	814781240	CAVJHCKDBRAJPX-UHFFFAOYSA-N	308.388	1.534	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)c2ccnnc2)c1CC	817694005	YTLYCGIPIOBCRT-UHFFFAOYSA-N	316.365	1.110	50	20	DDGD	
COc1cnc(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)nc1	816595286	HYTDSWMEHPLAFA-UHFFFAOYSA-N	323.259	1.230	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)Cn2ccc3ccccc32)CC1(F)F	817432167	IUFZMDOOVLXSHN-CQSZACIVSA-N	307.300	1.834	50	20	DDGD	
O=C(CCC(=O)c1ccc(Cl)cn1)NNC(=O)CC1CC1	819125825	BNEFOMNVPAOTBC-UHFFFAOYSA-N	309.753	1.645	50	20	DDGD	
CN(NC(=O)c1cc(C(F)F)n(C)n1)C(=O)OC(C)(C)C	822506978	LIXXPAYZJVOFMR-UHFFFAOYSA-N	304.297	1.869	50	20	DDGD	
C[C@@H]1CC2(CCOCC2)CN1S(=O)(=O)CBr	828235199	IJGNYFXVIMJSGC-SECBINFHSA-N	312.229	1.560	50	20	DDGD	
CN(C[C@@H]1CCCC[C@@H]1O)C(=O)/C(C#N)=C\c1cnn(C)c1	491010481	MLMWBTQIONQYHI-KMISQAIXSA-N	302.378	1.337	50	20	DDGD	
CCOC(=O)Cc1cccc(NC(=O)NNC(=O)OCC)c1	494660446	WQYSBBKWLITNJR-UHFFFAOYSA-N	309.322	1.575	50	20	DDGD	
COCCN(C)NC(=O)[C@@H](C)N(C(=O)OC(C)(C)C)C1CC1	496079834	GADFLRRPLWOGEF-LLVKDONJSA-N	315.414	1.384	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1ccc(OC)c(C(=O)OC)c1	491009026	JGXZYDABCAAJRL-ZRDIBKRKSA-N	318.329	1.542	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CC(C)(C)[C@@H]2[C@H]2CCCO2)cn1	491162564	SFKLGGSQFFRJEL-YACGDJQHSA-N	314.389	1.743	50	20	DDGD	
CCCNC(=O)NNC(=O)CCCc1ccc2c(c1)CC(=O)N2	729345485	NULORFMZURWWJO-UHFFFAOYSA-N	318.377	1.244	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)ccc1C(=O)NNC(=O)OC(C)(C)C	826249791	VFINYUKHFUGXAZ-UHFFFAOYSA-N	318.337	1.345	50	20	DDGD	
C/C=C(/C=C/C(=O)NNC(=O)CNC(=O)OC(C)(C)C)CC	492398769	MPIOOUCFGYTKML-LJOQIOMMSA-N	311.382	1.571	50	20	DDGD	
CCOCCC(=O)NNC(=S)Nc1ccc(OC)c(F)c1	822645288	VXTLIOSBGQLDJO-UHFFFAOYSA-N	315.370	1.579	50	20	DDGD	
CCC(CC)(CNC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)OC	490977655	ULTRCMONRPLCNF-QPEQYQDCSA-N	318.377	1.423	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)[C@@]1(Cl)C[C@H]2CC[C@H]1O2	907405483	BOCRQVDPYSSCRD-NYRNMGCKSA-N	302.161	1.529	50	20	DDGD	
O=C(/C=C/c1ccc[nH]1)NNC(=O)COc1ccccc1F	492802851	FLDXXXBSJSSFFN-BQYQJAHWSA-N	303.293	1.393	50	20	DDGD	
Cc1nc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)sc1C	901262491	ZBQKLERKKYLGEX-NEPJUHHUSA-N	308.407	1.073	50	20	DDGD	
Nc1c(C(=O)NNC(=O)C2CCC2)cnn1Cc1ccccc1	827216471	XBUUHEYNASUSEY-UHFFFAOYSA-N	313.361	1.075	50	20	DDGD	
CN(CC(=O)NNC(=O)NCc1ccc(Cl)cc1)C1CCC1	907644035	SNTGBIBSUBADQR-UHFFFAOYSA-N	324.812	1.655	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)cn1	826359758	PPPBXRXHMJBLTB-WLRTZDKTSA-N	305.301	1.390	50	20	DDGD	
Cc1ncc2c(n1)CCC[C@H]2NC(=O)NNC(=O)CC(C)(C)C	734951242	PLKPXIFGOSLDHH-CYBMUJFWSA-N	319.409	1.929	50	20	DDGD	
CCN(CC)CCC[C@H](C)NCc1ccc(B(O)O)cc1F	585032637	KLIOUSDWJJXUOY-ZDUSSCGKSA-N	310.222	1.106	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=S)Nc1ccc2c(c1)OCO2	735238803	UWIMPPUGFCOJBV-UHFFFAOYSA-N	321.280	1.685	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCc2nnc(O)cc2C1	490911183	UHOIHRIJWSZDCF-KPKJPENVSA-N	324.315	1.813	50	20	DDGD	
CC1(C)CN(C(=O)c2ccc(B(O)O)c(F)c2)[C@@H]2CCC[C@@H]21	584995254	TUPZCOZHSZNHHI-SMDDNHRTSA-N	305.158	1.156	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)c1cccnc1	838808277	BIZXBNLORSIOLF-UHFFFAOYSA-N	306.416	1.495	50	20	DDGD	
Cc1cc(C)c2c(c1)[C@H](NCc1ccccc1B(O)O)CCO2	585021490	VPIBORALVNZVRH-QGZVFWFLSA-N	311.190	1.597	50	20	DDGD	
Cc1cc(C(=O)N2CC[C@H](B(O)O)C2)nn1-c1ccc(F)cc1	585064104	MNUIPIHZVDPCQJ-NSHDSACASA-N	317.129	1.009	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)c1F	837060480	LLAZISPPIPZGFN-UBHAPETDSA-N	308.309	1.623	50	20	DDGD	
CC(=O)NC1CCN(C(=O)[C@@]2(C)C[C@@H]2Br)CC1	906462938	TVOTVWFAXIRHGH-JQWIXIFHSA-N	303.200	1.287	50	20	DDGD	
C=CCN(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	839467573	VDUVTARLTIWOPT-UHFFFAOYSA-N	320.349	1.252	50	20	DDGD	
COCCOC[C@@H]1CCN(C(=O)[C@@]2(C)C[C@H]2Br)C1	906835130	JJAKYCILKOSXFD-WZRBSPASSA-N	320.227	1.671	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@H](C2CCCC2)C1	585000915	QPPYEISQHBLPIO-ZDUSSCGKSA-N	305.158	1.158	50	20	DDGD	
O=C(NNc1cccc(Br)n1)[C@@H]1C[C@H]2CC[C@H]1O2	837210257	ISYSBFREXBXFAE-IWSPIJDZSA-N	312.167	1.855	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(C3CC3)[nH]n2)cc1F	837052103	XWWPLINQZPKRCK-UHFFFAOYSA-N	318.308	1.970	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)COCc1ccccc1)C1CC1	738496540	SCWCIGWWYUUEEU-GFCCVEGCSA-N	305.378	1.580	50	20	DDGD	
O=C(NCB(O)O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1	585059176	BYWUTYNWOJRRNJ-AWEZNQCLSA-N	321.088	1.213	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)Cc2ccc(F)cc2)COC1	836629795	JCLHGFTUKKRRMT-UHFFFAOYSA-N	309.341	1.125	50	20	DDGD	
CCOC(=O)[C@H](CCOC(C)(C)C)NS(=O)(=O)CCl	831042428	FSDJCFSJRBYALK-VIFPVBQESA-N	315.819	1.239	50	20	DDGD	
Cc1cc(C=NNC(=O)CNC(=O)OC(C)(C)C)cnc1F	901214450	ANXIFNIQQIDPHV-UHFFFAOYSA-N	310.329	1.504	50	20	DDGD	
CC[C@@H](C)[C@H](NNC(=O)COc1ccc(F)cc1)C(=O)OC	905748705	YENNXNMQOQRMPK-YGRLFVJLSA-N	312.341	1.413	50	20	DDGD	
C[C@@]1(C(=O)N2CCC3(CC2)OCCCO3)C[C@@H]1Br	908432843	JSRJDGMEPHCKJL-CMPLNLGQSA-N	318.211	1.916	50	20	DDGD	
O=C(c1cc(OC(F)F)ccc1F)N1CC[C@H](B(O)O)C1	585065134	BLCCCSXYLGOUCJ-ZETCQYMHSA-N	303.045	1.116	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2ccc(OCCC(=O)O)cc2)cn1	735412829	BKTNGHSWFFBYET-UHFFFAOYSA-N	316.317	1.038	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc2ccn(C)c2c1	831495743	DGQVVGXSODETJJ-GWCFXTLKSA-N	316.361	1.756	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2C[C@H]2C(=O)O)c1C	738736501	NYXVMCGDJUQONJ-VHSXEESVSA-N	307.375	1.342	50	20	DDGD	
O=C(NNC(=O)C1(c2cccc(F)c2)CC1)[C@H]1CCCCO1	833250833	MPKYOJKWUSBZTG-CYBMUJFWSA-N	306.337	1.574	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(N=c2cc[nH]cc2)cc1	837624386	VPQSJIXVRPJTGA-UHFFFAOYSA-N	300.362	1.470	50	20	DDGD	
CO[C@@H]1C[C@H](N(C)CC(=O)NNC(=O)C(C)(C)C)C12CCC2	832209951	QOYSWSINQSXMES-NWDGAFQWSA-N	311.426	1.069	50	20	DDGD	
C=C[C@@H]1OCCC[C@H]1NC(=O)NNC(=O)c1ccccc1O	838684497	WDYDKXZNKALWLE-YPMHNXCESA-N	305.334	1.070	50	20	DDGD	
CCC1(Cn2cc(C(=O)NNc3ccccc3F)nn2)COC1	830766697	MQZLTGPAFDHHDH-UHFFFAOYSA-N	319.340	1.601	50	20	DDGD	
NC(=O)C1(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)CCC1	747906507	QVAMWXMWSXITMP-UHFFFAOYSA-N	319.405	1.006	50	20	DDGD	
O=C(NN=Cc1ccc(O)c(O)c1O)c1cc(Cl)ccc1O	744773855	UJKTYRIHLGAQAU-UHFFFAOYSA-N	322.704	1.926	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)C1CCCC1)CN1CCCCC1	918104701	UTIAQOYFHGTMEZ-CYBMUJFWSA-N	310.442	1.629	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNc1cccc(C(F)(F)F)n1	740141895	WHOWFXYFWYBXKE-SSDOTTSWSA-N	304.272	1.458	50	20	DDGD	
Cc1noc(CCCNC(=O)NNc2cc(F)ccc2F)n1	916435229	FECBJTIFSAMKNZ-UHFFFAOYSA-N	311.292	1.915	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NC[C@@H]1Cc2ccccc2O1	918069318	SUXIJPXLLCFPMW-VIFPVBQESA-N	317.267	1.273	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCCOCc1ccccc1	843646609	JOSXUZJSKXNNRI-ZFWWWQNUSA-N	320.389	1.556	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc3nc(O)oc3c2)n1	746624001	TUZNCRISYLXKMK-UHFFFAOYSA-N	315.289	1.397	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cc1cn(C)c2ccccc12	843648514	QLSQCIFTJITNRP-DGCLKSJQSA-N	315.373	1.293	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2c[nH]cc2C)c1	916720587	VLYVMNAJJMECCR-UHFFFAOYSA-N	301.346	1.780	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1c[nH]nc1-c1ccsc1	843971090	ORCBWSPQEYMTOQ-PSASIEDQSA-N	320.374	1.324	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1sc(N(C)C)nc1Cl	842558609	SHXCUQBVYLXYOD-HTQZYQBOSA-N	316.814	1.738	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)Cc2cc(C)no2)c1	845078600	FLOAQZSVHSRGOV-UHFFFAOYSA-N	317.345	1.369	50	20	DDGD	
Cc1c(NNC(=O)c2nccn3ccnc23)cccc1[N+](=O)[O-]	748667251	YJEJRCOPHDTSTF-UHFFFAOYSA-N	312.289	1.703	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CC(F)(F)F)c1OC	918363682	CCZPWFSIRPBQPF-UHFFFAOYSA-N	306.240	1.417	50	20	DDGD	
C[C@@H]1CCCc2ncc(C(=O)NNC(=O)[C@H]3CCCCO3)n21	844551758	IHHANHODYASXPF-ZYHUDNBSSA-N	306.366	1.111	50	20	DDGD	
C[C@]1(C(=O)NCC[C@]2(O)CCCOC2)C[C@@H]1Br	911914348	KFTWSBRZTCSQOM-ZMLRMANQSA-N	306.200	1.208	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CC(=O)NNC(=O)[C@H]1CCO[C@H]1C	843661724	NPLOVZIMZMNKDF-QRTLGDNMSA-N	309.366	1.357	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)c1cc(Cl)ccc1O	749764910	XPEIZTZFLNSFEW-SSDOTTSWSA-N	301.799	1.953	50	20	DDGD	
CN(C)CCOc1ccc(C=NNC(=O)c2ccncc2)cc1	915933276	QKRMEPUCUNHIKW-UHFFFAOYSA-N	312.373	1.786	50	20	DDGD	
CN(NC(=O)C(=O)c1cnn(C(C)(C)C)c1)c1ccccc1	916737337	FPGMTKVCXBSSRJ-UHFFFAOYSA-N	300.362	1.988	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CN(C)c1nc2ccccc2s1	919743884	UXUCMLSKVRCBRG-UHFFFAOYSA-N	320.418	1.926	50	20	DDGD	
COc1ccc(C(=O)NNc2cc(Cl)nc(C)n2)c(O)c1	747980688	WFMHUVXWSKPEDG-UHFFFAOYSA-N	308.725	1.910	50	20	DDGD	
COc1nccnc1NNC(=O)[C@](C)(O)[C@@H](C)c1ccccc1	840572322	RNTOQIIFCMNECJ-MEDUHNTESA-N	316.361	1.483	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1cccc(N2CCCCC2)c1	841079584	LNGFNBRKPOMSIR-UHFFFAOYSA-N	319.409	1.569	50	20	DDGD	
CCCCN(C)CCNC(=O)NNc1nc(C)cc(OC)n1	746764761	JHYMWVISFHMZRB-UHFFFAOYSA-N	310.402	1.152	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2ccc(-n3ccnc3)nn2)CS1	841590668	PHTVVBHSLSGQNV-VHSXEESVSA-N	319.394	1.182	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)NC[C@H]1CNCCO1	842010180	FRWWYIIBHVYSLG-CYBMUJFWSA-N	306.410	1.733	50	20	DDGD	
CC(C)[C@H](N)CNC(=O)NNC(=O)CCCc1ccccc1	841943955	RQVMDBSILGBMNW-CQSZACIVSA-N	306.410	1.323	50	20	DDGD	
CC1(C)C[C@@H]1CNC(=O)NNc1ncc(Br)cn1	847317427	TVDVYVRDSLYDOO-SSDOTTSWSA-N	314.187	1.911	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1ccc(O)c([N+](=O)[O-])c1	749608466	MYZJLAZMHPBDJI-UHFFFAOYSA-N	310.310	1.360	50	20	DDGD	
CC(C)CCn1cc(C(=O)NNC(=O)c2ccccc2F)nn1	740633339	AZWVBOSXQPSBGN-UHFFFAOYSA-N	319.340	1.538	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)C)n[nH]1	843841685	DOJDMCZHHKVKTQ-NSHDSACASA-N	324.381	1.093	50	20	DDGD	
O=C1CN(S(=O)(=O)CCCCl)[C@H](c2ccccc2)CN1	922053286	GAKCRFATZGJXSU-LBPRGKRZSA-N	316.810	1.118	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccnc(-n3cncn3)c2)cc1	748113018	ABQVJYANWUWCHV-UHFFFAOYSA-N	305.301	1.291	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCSc2ccccc21	843652508	JSUXZMQNWCRTBV-LOWVWBTDSA-N	320.414	1.838	50	20	DDGD	
Cc1c(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)cnn1C	743828906	NGQVFPGARBJTNQ-UHFFFAOYSA-N	316.365	1.261	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CS[C@H](C)C2)cc1	840415207	FIJFCMISRSJOIW-NEPJUHHUSA-N	323.418	1.598	50	20	DDGD	
Cc1ccc(NNC(=O)CCC[C@@]2(C)NC(=O)NC2=O)cc1	749192191	APACWROFMOXYDQ-OAHLLOKOSA-N	304.350	1.207	50	20	DDGD	
CC(C)c1cccc2c1NC(=O)C2=NNC(=O)Cc1cc[nH]n1	841641050	QFPKAPNLJGPXLQ-UHFFFAOYSA-N	311.345	1.548	50	20	DDGD	
CCn1cc(C(=O)NNC(=S)Nc2ccc(C)c(C)c2)nn1	929243312	NHNFUWXGYJXADK-UHFFFAOYSA-N	318.406	1.546	50	20	DDGD	
CCc1c(NC(=O)NNC(=O)CCCN)cnn1C(CC)CC	841215229	ZEZGLURKSPKBEW-UHFFFAOYSA-N	324.429	1.698	50	20	DDGD	
C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)NNc1cccnn1	852707869	ZGPSDAUVMYXEPT-SNVBAGLBSA-N	324.385	1.358	50	20	DDGD	
CC(C)(C)[C@H]1CN(C(=O)NNC(=O)c2cccc(F)n2)CCO1	852709709	DQYWBUXDIGXTIN-LLVKDONJSA-N	324.356	1.322	50	20	DDGD	
CCOc1ccc(C(=O)NN=Cc2cncn2C)cc1OC	755566024	KSQHFDBAAKAKHM-UHFFFAOYSA-N	302.334	1.591	50	20	DDGD	
Cc1cc(F)ccc1C=NNC(=O)C(=O)Nc1ccccn1	758387221	HXCNKQZWBMYIAE-UHFFFAOYSA-N	300.293	1.618	50	20	DDGD	
CN1CC[C@@H]1CNC(=O)NNC(=O)c1ccc(Cl)cc1F	925412160	DOIGPSDLTNVVJW-SECBINFHSA-N	314.748	1.127	50	20	DDGD	
C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(B(O)O)c1	928377988	BQANZRKQAXSKDH-KSSFIOAISA-N	323.201	1.775	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccc(Cl)n1)N1CCCCCC1	857326222	TVQJHTAAISUSQZ-NSHDSACASA-N	324.812	1.761	50	20	DDGD	
C[C@H](O)[C@H]1CCCN1C(=O)NC[C@]1(C)C[C@H]1Br	856960602	RULFKOQGVPPRTE-XNDJQWLSSA-N	305.216	1.715	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C	854409854	MVBNXOBRJSXBAN-SECBINFHSA-N	302.371	1.720	50	20	DDGD	
CCC1(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)COC1	755050111	WEXUBSRHAQOILV-SNVBAGLBSA-N	310.325	1.167	50	20	DDGD	
COC[C@H](NC(=O)NNc1ccc(F)c(F)c1)[C@H]1CCCO1	922248005	GOYODBZIKVJFBO-QWHCGFSZSA-N	315.320	1.785	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)COCc2ccccc2)c[nH]1	753166318	FQWJXMZCPDVPOO-UHFFFAOYSA-N	315.329	1.468	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1cnc2n1CCCCC2	857152124	RJOXRCBYCZFKTC-UHFFFAOYSA-N	316.321	1.670	50	20	DDGD	
O=C(NN=Cc1nc2ccccn2c1Br)C1CC1	755484481	OTRQREAXWSSDPW-UHFFFAOYSA-N	307.151	1.957	50	20	DDGD	
Cc1ccc(Br)c(C(=O)NNC(=O)CC(C)C)n1	929792204	FYPLMWYXSJFRAW-UHFFFAOYSA-N	314.183	1.960	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)cc1F	856229537	NJKBSORVAWBUJD-JTQLQIEISA-N	317.324	1.353	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](C)CN2CCN(C)CC2)cc1F	853693649	ICQURWFCCCWPGH-CYBMUJFWSA-N	323.416	1.396	50	20	DDGD	
CCCC[C@](C)(F)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	854180875	QILCZXUXZCVKGW-BBRMVZONSA-N	324.352	1.892	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)c1cccc(F)n1	856422837	DVWUFMYYZFPESI-YPMHNXCESA-N	323.368	1.967	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NC[C@@]1(C)C[C@H]1Br	857734922	XAGKAKSKXXYPII-YGOYTEALSA-N	320.231	1.503	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CCn2cncn2)c(C)c1	851627825	VZALDFOLZCGVSH-UHFFFAOYSA-N	318.406	1.303	50	20	DDGD	
CC(C)OCCCC(=O)OCC(=O)NNC(=O)c1ccccc1	751725478	GCYFPNSMBBJUSI-UHFFFAOYSA-N	322.361	1.196	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cccc(Cn2cncn2)c1	858286514	XSYPBEZZALBVNW-UHFFFAOYSA-N	301.350	1.134	50	20	DDGD	
Cc1ccc(C(C)(C)CNC(=O)NNc2cccnn2)nc1	858762074	VORKEGGAIQBYKD-UHFFFAOYSA-N	300.366	1.784	50	20	DDGD	
CCc1ncc(C=NNC(=O)CCCNC(=O)C(C)(C)C)cn1	853406449	DPIRZHYTDZKZFA-UHFFFAOYSA-N	319.409	1.432	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)C(F)(F)C1(O)CCCC1	855089902	LMNDINJYLVEEJV-UHFFFAOYSA-N	321.393	1.222	50	20	DDGD	
CCC(=O)NN=C1C(=O)Nc2ccc(OC(F)(F)F)cc21	863068738	OGZKBHGIWBNZNV-UHFFFAOYSA-N	301.224	1.768	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)CCC1=O	763258147	GETPHKJEDCVJRJ-YPMHNXCESA-N	317.389	1.519	50	20	DDGD	
COc1cc(CC(=O)NN[C@@H](C)C(F)(F)F)cc(OC)c1O	862318008	ORQYSURICVWHRU-ZETCQYMHSA-N	322.283	1.524	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]c1=S)[C@]1(O)CCSC1	862293547	XTZCLHGAWLCBFU-ZDUSSCGKSA-N	322.415	1.603	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNCC(F)(F)C(F)(F)F	863094430	JGZFEGCUTMKRRO-QMMMGPOBSA-N	303.275	1.679	50	20	DDGD	
C[C@@H](NNC(=O)[C@H]1Cc2ccccc2C(=O)O1)C(F)(F)F	862306827	PKFXVKCXLOTGLH-GMSGAONNSA-N	302.252	1.340	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	764049344	YKLFFAPWETUICG-JFGNBEQYSA-N	322.386	1.199	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)c1cnn(C)c1)CCCO2	763171719	NGVMTMIAPQYKOQ-UHFFFAOYSA-N	314.345	1.735	50	20	DDGD	
CCCNC(=O)NNC(=O)C(C)(C)Oc1ccc(C#N)cc1	765275357	COFMCDZLPMABOE-UHFFFAOYSA-N	304.350	1.456	50	20	DDGD	
COC[C@H]1CN(S(=O)(=O)CC(C)(C)CCl)C[C@@H](C)O1	867159489	YNLRWPAUAGAJBE-GHMZBOCLSA-N	313.847	1.317	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2nn(C)cc2C)c(C)c1	873761293	XGLICCYXMZTSIA-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)NCC2CC=CC2)C[C@@H]1Br	1119185642	IEWSNCOZHKETEA-GXFFZTMASA-N	315.211	1.359	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cccc2c1OCC[C@H]2OC	879428481	XLBKHHCGTANRBG-LLVKDONJSA-N	309.322	1.891	50	20	DDGD	
CN1CCc2ccc(NC(=O)NNc3ncccn3)cc2C1=O	775672805	DSSFMFKWULJHAU-UHFFFAOYSA-N	312.333	1.253	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NNC(=O)CC(F)(F)F	878344433	CRMDXLRXPLFFHE-LDWIPMOCSA-N	304.272	1.175	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@]1(C)CCCCO1	873770666	UNHAZMWRQYCAMN-HNNXBMFYSA-N	323.418	1.972	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNc2nncc(N)c2Cl)cc1	1116298289	MFAVECNCWBJTOQ-UHFFFAOYSA-N	318.724	1.106	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)[C@@H]1C[C@]12CCOC2	771561176	LTBMHIYFRMANBT-CABZTGNLSA-N	312.167	1.714	50	20	DDGD	
CC(C)CCSCC(=O)NNc1nc(O)c2cnn(C)c2n1	770979528	HDHLZXFGQANFBG-UHFFFAOYSA-N	324.410	1.291	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2nc[nH]n2)c(C)n1-c1ccccc1	772778150	QBAKHOMLGHXKBK-UHFFFAOYSA-N	324.344	1.287	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C1(NC(=O)OC(C)(C)C)CCC1	1119983063	FXJQUMUNGSNHDN-UHFFFAOYSA-N	323.393	1.385	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@@H](F)Cc2ccccc2)cc1	777977298	SUBGXFRRDFXVEE-HNNXBMFYSA-N	311.316	1.900	50	20	DDGD	
COC(=O)N(C)NC(=O)NCC1(N(C)C)CCCCCC1	875013252	YKDZQDYSRFTPGX-UHFFFAOYSA-N	300.403	1.553	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H](C)OCC2CC2)c1	874950018	LVHPCOZPEPFQFT-LLVKDONJSA-N	317.414	1.801	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)C2CCOCC2)c(C)c1	878367630	AETSHDIDUPTJKG-UHFFFAOYSA-N	321.377	1.973	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@H](C)[C@@H]2C)c1	777592520	VVEVSWJTGWWEKB-KBPBESRZSA-N	303.406	1.876	50	20	DDGD	
C[C@H]1CCCN(C(=O)CCNC(=O)NNc2cccc(F)n2)C1	1122014935	HTKFEFKJPGSBKF-NSHDSACASA-N	323.372	1.495	50	20	DDGD	
CC(C)(C)OC(=O)[C@H]1CCCN1S(=O)(=O)CCCCl	881964354	NXLJDDWXRSQARQ-SNVBAGLBSA-N	311.831	1.751	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)Nc1cnc2ccnn2c1	888927310	CNQVFBOQQUSFBV-UHFFFAOYSA-N	324.213	1.553	50	20	DDGD	
CC(C)CCOc1ccc(C(=O)NNC(=O)NCCC#N)cc1	787363841	SCPCSWUBYBGZKG-UHFFFAOYSA-N	318.377	1.969	50	20	DDGD	
Cn1cc([C@@H]2C[C@H](NS(=O)(=O)CCCCl)CCO2)cn1	882331362	BZCCSCGOTVIBJM-NEPJUHHUSA-N	321.830	1.189	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1COc2cc(OC)ccc2C1	887143389	XGNDTXRRAKKWNQ-CYBMUJFWSA-N	316.357	1.197	50	20	DDGD	
CN1CCCC[C@@H]1CNC(=O)NC[C@@]1(C)C[C@@H]1Br	1121992411	IVXGALWEMARVIG-NTZNESFSSA-N	318.259	1.943	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc(N2CCOCC2)cn1	789827397	MHPSCPQEAPQDNO-UHFFFAOYSA-N	321.381	1.117	50	20	DDGD	
CCn1cc(Br)c(C(=O)NNC(=O)NC(C)C)n1	1123534453	KVNZWGNSBLHDPR-UHFFFAOYSA-N	318.175	1.018	50	20	DDGD	
CC(C)(C#N)CNC(=O)NNC(=O)COc1ccccc1F	781954440	VKNHOUZDVADVFK-UHFFFAOYSA-N	308.313	1.085	50	20	DDGD	
Cc1nn2cccnc2c1C(=O)NNc1ncncc1Cl	781829554	AYEPRZNVTIQEAT-UHFFFAOYSA-N	303.713	1.238	50	20	DDGD	
C=C1CCC(C(=O)NNC(=O)COc2ccccc2OC)CC1	895410134	DKPRRLSFPJGIQN-UHFFFAOYSA-N	318.373	1.968	50	20	DDGD	
CCOCCNC(=O)COC(=O)/C(C#N)=C/c1ccccc1	785361800	JJMAIKGKEFUSQE-GXDHUFHOSA-N	302.330	1.289	50	20	DDGD	
O=C(NNc1ncccc1F)Nc1ccc2c(c1)C(=O)NC2=O	796594742	UHFYEPBKIUMLSZ-UHFFFAOYSA-N	315.264	1.253	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1ccccc1NC(C)(C)C	799258400	BNQXXOAGYRZSSJ-UHFFFAOYSA-N	320.393	1.639	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1cccc(F)c1[N+](=O)[O-]	791149725	JWUIFXIUFJZVHB-UHFFFAOYSA-N	312.301	1.483	50	20	DDGD	
Cc1ccc2c(c1)CCN([C@H](C)C(=O)NNC(=O)CC(C)C)C2	792313586	SXSGBDWKLQHQRE-CQSZACIVSA-N	317.433	1.935	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2cn(Cc3cccnc3)nn2)n1	794567666	SFPIMJUSYGTDMU-UHFFFAOYSA-N	321.344	1.189	50	20	DDGD	
CCCCN(C)CCNC(=O)NNC(=O)c1cccc(C)n1	792988936	IGILHCGMYJCUTJ-UHFFFAOYSA-N	307.398	1.066	50	20	DDGD	
CC(C)=CCNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	790537216	WRWJTLDAVYJHQL-UHFFFAOYSA-N	308.294	1.211	50	20	DDGD	
Cc1noc([C@@H]2CCCCN2S(=O)(=O)CBr)n1	796239823	WMYGEBBMKPJTLT-QMMMGPOBSA-N	324.200	1.587	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@H]1CC(=O)N(C2CC2)C1	791070500	MGYHLMUIHHNLHG-QMMMGPOBSA-N	322.296	1.188	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(C#N)[nH]2)c2ccccc2n1	799010201	UMZHTCBURAERHU-UHFFFAOYSA-N	319.324	1.818	50	20	DDGD	
C[C@@H](NC(=O)CCc1ccccc1)C(=O)NNc1ncccn1	799551013	PFXLMIUXGZMCLN-GFCCVEGCSA-N	313.361	1.057	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)c1cc(C)nc2ccccc12	799010480	GNEYIFDVYZFEHD-UHFFFAOYSA-N	315.373	1.977	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCc1cccc(N(C)C)c1	798305981	OOMWOLRGDQZHHD-UHFFFAOYSA-N	306.435	1.367	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)[C@H]2CCC(F)(F)C2)c1	795238109	ICXJTNDKCWZZPR-VIFPVBQESA-N	318.345	1.969	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2cncc(Br)c2)[nH]1	1319529108	MNSVUCUWDXXOGG-UHFFFAOYSA-N	306.123	1.801	50	20	DDGD	
Cc1c([C@H](C)NC(=O)NNc2nncc(N)c2Cl)cnn1C	1319406918	WJXSHTMJYNXPLO-LURJTMIESA-N	324.776	1.141	50	20	DDGD	
O=S(=O)(CBr)N1CCC[C@H](c2ncc[nH]2)C1	272865126	YIGLAKWWBNXOFZ-QMMMGPOBSA-N	308.201	1.271	50	20	DDGD	
COC[C@@H](O)CCNS(=O)(=O)c1ccc(CCl)cc1	394038841	NZWBUSGSECHPBV-NSHDSACASA-N	307.799	1.101	50	20	DDGD	
C[S@@](=O)c1ccc(NC(=O)NNC(=O)OC(C)(C)C)cc1	1320742520	YRBHUOKTEFMWSG-OAQYLSRUSA-N	313.379	1.985	50	20	DDGD	
COc1ccc(C(=O)CCCC(=O)NNc2ccn(C)n2)cc1	1325385653	LYZPCPYXYOVIHL-UHFFFAOYSA-N	316.361	1.925	50	20	DDGD	
O=C(/C=C\[C@H]1CCOC1)NNc1cncc(Br)c1	1324487528	XHHZOIKAEJJROK-IYABHPQVSA-N	312.167	1.880	50	20	DDGD	
C=C[C@@](C)(CCOC)C(=O)NNc1ccc(-n2ccnc2)nn1	1322812996	WZCKTOXEXLEVCY-HNNXBMFYSA-N	316.365	1.334	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(O)cc2O)c([N+](=O)[O-])c1	1320793155	OXYRWJLFMLNYKB-UHFFFAOYSA-N	319.273	1.772	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H]2CC(=O)NNc1ccncn1	1324482849	QRDIGYFGBMZTRJ-JTQLQIEISA-N	300.318	1.495	50	20	DDGD	
CC1CCC(N2C[C@@H](C(=O)NNc3ccncn3)CC2=O)CC1	1324543287	KRCDUOQUDHPIMF-CPCZMJQVSA-N	317.393	1.347	50	20	DDGD	
COc1ccc(Br)c(CN2CC[C@@H](B(O)O)C2)c1	585078020	YCLNAVMGDDVNRB-SNVBAGLBSA-N	313.988	1.506	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@]2(F)CCOC2)c1	1330917914	WLFVMBBGBLAWNW-AWEZNQCLSA-N	307.350	1.114	50	20	DDGD	
Cn1ccc(NNC(=O)Cn2nc(C(F)F)cc2C(F)F)n1	1336887107	CGMDUHPUZCZTLS-UHFFFAOYSA-N	320.250	1.635	50	20	DDGD	
CNc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccc(Cl)nn1	1251943326	LXHZMNSUMACNSX-UHFFFAOYSA-N	322.712	1.837	50	20	DDGD	
O=C(/C=C\c1ccccc1)NNC(=O)c1n[nH]c2c1CCCC2	1334522480	DRESODWXYDOMSP-KHPPLWFESA-N	310.357	1.763	50	20	DDGD	
O=C(NNC(=O)c1cncn1-c1ccccc1)C1=CCCCO1	1339756762	AQJOFXDCLLPBNW-UHFFFAOYSA-N	312.329	1.328	50	20	DDGD	
O=C(NCC(=O)N1CCCC1)NNc1ccc(Cl)cc1F	1332268328	BEZIIRZMBCLYPO-UHFFFAOYSA-N	314.748	1.728	50	20	DDGD	
O=C1C[C@H]2C[C@@H]1[C@H](C(=O)NNc1cncc(Br)c1)C2	1345041593	AONZQOYMIXLVER-WHGOUJPWSA-N	324.178	1.902	50	20	DDGD	
C=CCCCCNC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1347968072	RVYSZUDXXFNMFM-ZWNOBZJWSA-N	317.227	1.749	50	20	DDGD	
Cc1coc(C(=O)NNC(=O)CCc2ccccc2O)c1C	1346413974	DOYJLTISPWADOX-UHFFFAOYSA-N	302.330	1.996	50	20	DDGD	
O=C(CCC1(O)CCC1)NNc1cccc(-c2nn[nH]n2)c1	1606509859	YLVZVHBQMLGYPF-UHFFFAOYSA-N	302.338	1.005	50	20	DDGD	
N#C/C(=C/c1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CCCOC1	1606335568	ASJMOVWNBJSDCB-HRYODUOUSA-N	309.329	1.769	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1ccc(C(=O)O)cc1F	1605815378	HQAKYZRGQKRWPN-UHFFFAOYSA-N	318.264	1.385	50	20	DDGD	
CCOc1cc(C(=O)NNc2ccc(C(=O)O)c(F)c2)[nH]n1	1605659147	LWYZSQNOHJQOSB-UHFFFAOYSA-N	308.269	1.403	50	20	DDGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1c[nH]c(C(=O)O)c1	1601560560	NCOXZISESQTFCV-UHFFFAOYSA-N	314.223	1.884	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)c1cccc2oc(O)nc12	1602473074	UBWVDLUHBSGEDB-UHFFFAOYSA-N	313.269	1.989	50	20	DDGD	
O=C(O)Cc1ccc(OS(=O)(=O)CCCCl)c(F)c1	1602129558	AWFJCCKICGLQIP-UHFFFAOYSA-N	310.730	1.790	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1cc(C(=O)O)no1	1600584964	CILKBBSFEXQVGX-UHFFFAOYSA-N	304.262	1.148	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccccc2)c(C(=O)O)c1	1607798175	CVQFMOOSUFFZBF-UHFFFAOYSA-N	313.313	1.775	50	20	DDGD	
O=CNc1ccc(C(=O)NNc2ccc(C(=O)O)c(F)c2)cc1	1609047832	RZYSQYVCHQKPCL-UHFFFAOYSA-N	317.276	1.849	50	20	DDGD	
Cc1ccc(NNC(=O)c2cc(CN(C)C)on2)cc1C(=O)O	1607809539	UEIMJSPLYYAHEU-UHFFFAOYSA-N	318.333	1.500	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1ccc(F)cc1	1549314629	JHRDWQNIWKETQE-LSDHHAIUSA-N	305.353	1.529	50	20	DDGD	
Cc1nc[nH]c1C=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccnn1C	1549314032	AUWGARYCBMUCAX-RISCZKNCSA-N	316.365	1.070	50	20	DDGD	
COc1cc(C(C)=NNC(=O)C(=O)O)ccc1OC(F)F	1610289190	LQQUSDSSKMFBKS-UHFFFAOYSA-N	302.233	1.221	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@H]2CCCO[C@H]2c2ccnn2C)CCO1	1549313831	ACYBBIFVLSHPSM-OSAQELSMSA-N	320.393	1.559	50	20	DDGD	
CCOC1CCC(=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)CC1	1549317979	ZHSFLGAAKRXGCZ-ZHDDOTHNSA-N	309.410	1.301	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1cc(O)cc(F)c1	1550697608	UWDZZHGUCZCOTE-UKRRQHHQSA-N	321.352	1.235	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=C[C@H]1CCCO[C@@H]1c1cnn(C)c1	1552763455	UGGPJLZQCJXQFV-BEAPCOKYSA-N	320.393	1.415	50	20	DDGD	
CCC[C@](C)(N)C(=O)NNC(=S)Nc1ccccc1OC	1577328089	DYKZUKUOHIBPCO-AWEZNQCLSA-N	310.423	1.530	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2NCCCC2(C)C)ccc1F	1578860541	VWJBNXXSPCJOFF-ZDUSSCGKSA-N	323.368	1.834	50	20	DDGD	
CCCNNC(=O)/C=C\c1ccc(I)o1	1577574972	YMEYSXMBFQNVPI-XQRVVYSFSA-N	320.130	1.928	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSc1ccc(C(=O)O)cc1	1589693195	CDXFWHLJDKSLMI-UHFFFAOYSA-N	310.375	1.670	50	20	DDGD	
C[C@H](NNC(=O)c1cccc(OCC(=O)O)c1)C(F)(F)F	1589132163	NJPLLFCOJOORND-ZETCQYMHSA-N	306.240	1.335	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2ccncc2)C1	1842396493	JVJYQCGCSPDDCH-ZDUSSCGKSA-N	321.808	1.916	50	20	DDGD	
O=C(C1=COCC1)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846389157	JIMKOPMOUMLACD-UHFFFAOYSA-N	319.188	1.298	50	20	DDGD	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNc1ccc(Br)nc1	1594228138	KKUVTZKNHYMSJL-KBUNVGBDSA-N	314.139	1.398	50	20	DDGD	
O=C(CC(C1CC1)C1CC1)NNc1ccc(-c2nn[nH]n2)cn1	1592802906	LHEXSRSIVZEBOE-UHFFFAOYSA-N	313.365	1.531	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(C(=O)O)cc1F)c1cnn(C)c1	1593101262	AWDXBNWBBVAQDS-QMMMGPOBSA-N	321.312	1.645	50	20	DDGD	
C[C@@H](CCN(C)C)NC(=O)NNc1cccc(C(=O)O)c1F	1592513387	GEXUYANMUCHCMW-VIFPVBQESA-N	312.345	1.490	50	20	DDGD	
O=C(O)CC1(C(=O)NNC(=O)c2ccc(Cl)cc2)CCC1	1594976210	FRRBZCFJJMCIOO-UHFFFAOYSA-N	310.737	1.746	50	20	DDGD	
C[C@@H](CBr)CN(CCC(=O)O)C[C@@H]1CCCO1	1592212820	ULBAOWZFVVFCOP-QWRGUYRKSA-N	308.216	1.973	50	20	DDGD	
CCn1ncc(Cl)c1C(=O)NNc1ccc(CC(=O)O)cc1	1597957956	GWACYQLCLCMQMJ-UHFFFAOYSA-N	322.752	1.940	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNC(=O)Cc1ccc(Cl)cc1	19599276	YPOJDVGWWIFOQP-UHFFFAOYSA-N	321.764	1.877	50	20	DDGD	
CCOCCC1(C(=O)NNC(=O)c2c[nH]nc2C)CCCC1	153234859	NPGQXUAHHMMLJC-UHFFFAOYSA-N	308.382	1.466	50	20	DDGD	
CC(C)CC(=O)NCCC(=O)NNC(=O)CCc1ccccc1	153254871	QBVRILLKGSPEGH-UHFFFAOYSA-N	319.405	1.319	50	20	DDGD	
COc1ccc(NNC(=O)NCc2cccc(OC)c2)nc1	153305471	BQQBWFRXFIKEPC-UHFFFAOYSA-N	302.334	1.925	50	20	DDGD	
COC(=O)[C@H]1CCC[C@H](C(=O)NNc2ccc(C#N)cc2)C1	155499329	GGUSGVZDKBGJKF-STQMWFEESA-N	301.346	1.981	50	20	DDGD	
O=C(NCc1ccc(F)cc1)C(=O)NNc1cccc(F)c1	154574429	HDTVEIFKUQPJIT-UHFFFAOYSA-N	305.284	1.724	50	20	DDGD	
CCc1cccc(S(=O)(=O)NNC(=O)OC(C)(C)C)c1	154817458	DQPNEKDEGRHUFA-UHFFFAOYSA-N	300.380	1.967	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NC1CC=CC1	154992240	PKMGZGPMQWWIIQ-UHFFFAOYSA-N	303.362	1.677	50	20	DDGD	
CC(C)(C)OC(=O)NNS(=O)(=O)c1ccc2c(c1)CCC2	7405498	NUXRNFXHPKLDEH-UHFFFAOYSA-N	312.391	1.893	50	20	DDGD	
CSCCCNC(=S)NNC(=O)Cc1ccc(F)cc1	7679501	MYIWSMMBAOOCDM-UHFFFAOYSA-N	315.439	1.617	50	20	DDGD	
C[C@H]1CCCC[C@H]1CNC(=O)NNC(=O)Cc1cccnc1	170887905	WBTPWLMBFXAMBB-JSGCOSHPSA-N	304.394	1.781	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)Nc2cccc(C)c2C)[nH]n1	54392973	CKBDPASCEDCEJA-UHFFFAOYSA-N	303.391	1.966	50	20	DDGD	
CCn1nc(C(=O)NNc2cc(F)c(F)cc2F)ccc1=O	115719390	FACJDSGEKYYAJV-UHFFFAOYSA-N	312.251	1.437	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCC[C@H]1C[C@@H]2CC[C@@H]1C2	170881949	XWNADDQJRWICST-YUELXQCFSA-N	316.405	1.781	50	20	DDGD	
Cc1nnc(NNC(=O)Cc2ccc3c(c2)CCCC3)nc1O	21127741	PSFCLQVMRIGIQA-UHFFFAOYSA-N	313.361	1.450	50	20	DDGD	
Cc1cc(NNC(=O)COc2cccc([N+](=O)[O-])c2)ncn1	172280098	YYGJMTURIMSEQQ-UHFFFAOYSA-N	303.278	1.215	50	20	DDGD	
CNC(=O)NNC(=O)c1nn(-c2ccccc2F)c2c1CCC2	56376388	SFFGHSMYTZRZJO-UHFFFAOYSA-N	317.324	1.074	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Cc2cn3ccccc3n2)c1	103402326	GWLKWQOCZHXAOT-UHFFFAOYSA-N	319.324	1.210	50	20	DDGD	
CN(C)c1ccc(NC(=O)C(=O)NNc2cccc(C#N)c2)cc1	119512607	OPIUFBZTXDDEBB-UHFFFAOYSA-N	323.356	1.706	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1F)c1ccc(O)nc1	175821299	YHHLEGQOWQVHOA-UHFFFAOYSA-N	309.684	1.655	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)CCC1CCC1	175029549	WISNACQZVKQZSZ-UHFFFAOYSA-N	305.378	1.835	50	20	DDGD	
C[C@H]1[C@@H](C)SCCN1C(=O)NNC(=O)c1ccc(C#N)cc1	118476982	LYFUXEADSSIPPN-WDEREUQCSA-N	318.402	1.738	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccnc(Cl)c2)cc1	302850338	WIOOTKYSZLMKER-UHFFFAOYSA-N	318.764	1.917	50	20	DDGD	
Cc1nnc(NNC(=O)c2cnc(C(C)(C)C)s2)nc1O	63091479	DWRWUZWWJQLNKX-UHFFFAOYSA-N	308.367	1.397	50	20	DDGD	
COc1cccc(CC(=O)NNC(=O)Cc2ccccc2F)c1	66784532	UOMXBANIQHBRCB-UHFFFAOYSA-N	316.332	1.767	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)Nc2ccccn2)cc1	67540861	XZJXFEQFMNNQLE-UHFFFAOYSA-N	314.345	1.876	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NNC(=O)c1cccc(OC(F)F)c1	171207578	CXGDHLOFYIRPPB-QWRGUYRKSA-N	314.288	1.474	50	20	DDGD	
O=C(/C=C/c1ccc2c(c1)CCO2)NNC(=O)NC1CCCC1	65920162	WLBONYZFNOZQKW-SOFGYWHQSA-N	315.373	1.908	50	20	DDGD	
CC(C)Cc1nc(C(=O)NNC(=O)c2cnn(C)c2)cs1	117680526	IRIRVNJIDMHBFI-UHFFFAOYSA-N	307.379	1.150	50	20	DDGD	
Cn1ncnc1NC(=O)NNC(=O)Cc1ccc2ccccc2c1	183336129	ZYYAJDZPYUCPSD-UHFFFAOYSA-N	324.344	1.364	50	20	DDGD	
COc1ccc(OC)c(C(=O)NNc2cc(C)nc(C)n2)c1	129017757	AJXIXAMGLZMDOC-UHFFFAOYSA-N	302.334	1.868	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1c(C)nn(C)c1C)c1ccccc1	110337257	HKQRNLWGOLOONJ-AWEZNQCLSA-N	314.389	1.992	50	20	DDGD	
Cc1nc(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cs1	21001402	SVVJZYTYZLGUOQ-UHFFFAOYSA-N	320.330	1.363	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2ccc([C@@H](C)O)cc2)n1	171062524	CZUSYDUTAHYTMX-GFCCVEGCSA-N	315.377	1.973	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)[C@H]1COc2ccccc2C1	172440576	NUVKRJMYHMNBQK-SNVBAGLBSA-N	304.737	1.824	50	20	DDGD	
CSC[C@@H](C)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	66754216	VZPJPLPSAQXABK-NXEZZACHSA-N	314.382	1.740	50	20	DDGD	
CO[C@H](C)CCC(=O)NNC(=O)c1c(C)nc2ccccn12	182988094	SBMMSZDDCGQIAJ-SNVBAGLBSA-N	304.350	1.219	50	20	DDGD	
CC(C)Oc1ccccc1CC(=O)NNC(=O)c1cccn1C	125831774	QBCZTQVMWKFJJH-UHFFFAOYSA-N	315.373	1.816	50	20	DDGD	
Cc1cc(S(N)(=O)=O)cc(C(=O)NNc2ccncc2)c1C	180473524	CFVRWEUURPMPRF-UHFFFAOYSA-N	320.374	1.103	50	20	DDGD	
Cc1ccc2c(c1)OCCN2[C@@H](C)C(=O)NNC(=O)CC(C)C	126559561	AJZFLQCCKJQREU-ZDUSSCGKSA-N	319.405	1.776	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2coc(C)c2)c1	189062049	FUWMVQCKYHUCCZ-UHFFFAOYSA-N	303.318	1.470	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(OC(F)F)cc1)S(C)(=O)=O	123059012	HODMCOVYZJSGIK-ZETCQYMHSA-N	308.306	1.164	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)Nc1cc(C)on1	78263270	DHZMWPZTMLOIMW-UHFFFAOYSA-N	318.333	1.777	50	20	DDGD	
CN(C)C(=O)CCCNC(=O)/C(C#N)=C\c1ccc(F)cc1	182363222	RAUCVSSVNTXPAF-RAXLEYEMSA-N	303.337	1.717	50	20	DDGD	
CC#CCCCC(=O)NNC(=O)COc1ccccc1OCC	184908150	HNBAFAZECXQOLE-UHFFFAOYSA-N	318.373	1.805	50	20	DDGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)C(C)(C)O	188062661	RNAUADOMKLRVHF-UHFFFAOYSA-N	319.386	1.650	50	20	DDGD	
Cc1csc(-c2ccc(NC(=O)NNC(=O)CO)cc2)n1	184737830	YAPNQQZVLCVSNW-UHFFFAOYSA-N	306.347	1.264	50	20	DDGD	
CCNC(=O)NNC(=O)C(F)(F)c1ccccc1OCC	125308561	UHCDXDOUONTJGO-UHFFFAOYSA-N	301.293	1.527	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])[C@H]1OCCc2ccccc21	124118932	ZAWLBXQIFAIALF-ZDUSSCGKSA-N	314.301	1.747	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N1CCOCC1)c1ccc(F)cc1	184137892	HEBCADVEMMYAKK-ZDUSSCGKSA-N	309.341	1.392	50	20	DDGD	
CC[C@H](C)[C@H](C)NCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	183060437	HGSXMYUCXBTZHO-QWRGUYRKSA-N	322.365	1.380	50	20	DDGD	
CN(C1CCN(/C(=C/C#N)c2ccccc2)CC1)S(C)(=O)=O	79317809	DVZBKQSTTWTFCQ-LZYBPNLTSA-N	319.430	1.907	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc([N+](=O)[O-])c1)c1nncn1C	46962038	FGLUGJSJIFBGNH-MRVPVSSYSA-N	305.298	1.111	50	20	DDGD	
C[S@@](=O)Cc1cccc(C(=O)NNC(=O)c2ccncc2)c1	192545583	VJASRZCSKVZCSJ-JOCHJYFZSA-N	317.370	1.035	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCOc2ccccc2C)o1	84153878	PGOOVJUVJPIARD-UHFFFAOYSA-N	317.345	1.919	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2C[C@@H](C)OC(C)(C)C2)cc1	140717451	IBDMBAVVSNFNAA-CYBMUJFWSA-N	319.405	1.255	50	20	DDGD	
O=C(NNc1cnccn1)Nc1ccc(-n2cccn2)c(F)c1	149111103	GSSKKSSZGWQEKK-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C\c1cn(C)nc1C(C)(C)C	93872841	WRLNMSBOUGVNOV-ZWIPKHHJSA-N	304.394	1.776	50	20	DDGD	
COc1cc(OC)c(OC)cc1C=NNC(=O)c1ccncc1	254759255	MLOVIQMAUFDVGH-UHFFFAOYSA-N	315.329	1.871	50	20	DDGD	
CSCC[C@@H](NC(N)=O)C(=O)NNc1c(F)cccc1F	265459624	NACFJIFWOPCJJL-SECBINFHSA-N	318.349	1.198	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNc2nc3ccccc3c(=O)n2C)O1	268116308	KFFHZGVUHUVOJF-GXFFZTMASA-N	316.361	1.334	50	20	DDGD	
C[C@@H]1OCCN(C(=O)NNC(=O)C(C)(C)c2ccccc2)[C@@H]1C	268895978	LJSAAAMBNCNNRM-OLZOCXBDSA-N	319.405	1.814	50	20	DDGD	
CCN(CC)CCCNC(=O)NNc1nc(C)cc(OC)n1	266938873	HNRPMEIGCWFGAH-UHFFFAOYSA-N	310.402	1.152	50	20	DDGD	
CC(C)(C)S(=O)(=O)CC(=O)NNc1c(F)cccc1F	271086752	SOUSVQSYNPELAF-UHFFFAOYSA-N	306.334	1.621	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccc(OC2COC2)cc1	275451541	LSJDFNREXWSGAS-UHFFFAOYSA-N	305.334	1.417	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNC(=O)c1cccc(OC)c1O	272173342	HMWTYTMOTZEICH-SNVBAGLBSA-N	310.350	1.225	50	20	DDGD	
O=C(NNC(=O)c1c(F)ccc(F)c1F)NC1CCCC1	274603260	FJEQWDSKCNLTLA-UHFFFAOYSA-N	301.268	1.991	50	20	DDGD	
C[C@H](C(=O)N1CC=C(C#N)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	272663872	IGYPKCIERGMMKO-XBFCOCLRSA-N	315.373	1.232	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccn(-c2ccc(OC)cc2)n1	271257129	HGDDDOGWACWNDF-UHFFFAOYSA-N	317.349	1.187	50	20	DDGD	
O=C(NNc1cccnn1)N[C@@H]1CC(=O)N(C2CCCCC2)C1	271364824	HWSKDYUKZARTCR-LLVKDONJSA-N	318.381	1.036	50	20	DDGD	
C=CC[C@H](CC)NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	281534559	YSOVQKYNMVMSRH-NSHDSACASA-N	306.322	1.894	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(C(=O)OC)c(OC)c1	280575861	UHDHKCKMIDFDMI-SECBINFHSA-N	323.349	1.681	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	286316025	KTPWBHAKBCRHFJ-UHFFFAOYSA-N	322.321	1.538	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)CNc1ccc(C)cc1C)C1CC1	280670109	UQOMBZIDARQECZ-OAHLLOKOSA-N	305.378	1.288	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C2CC(OCC)C2)nc1C	288255317	CGDDNQSVNBIBLE-UHFFFAOYSA-N	322.365	1.220	50	20	DDGD	
N#C/C(=C\c1c(F)ccc(O)c1F)C(=O)NC[C@H]1CCCO1	280081649	RHRAGASQKGIQAA-OLKPEBQYSA-N	308.284	1.873	50	20	DDGD	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1C	288629484	KCCGQXBQYBKMFJ-WDEREUQCSA-N	307.306	1.546	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C2(OC)CCOCC2)cc1	284391291	QNTPOYDBPLTHLR-UHFFFAOYSA-N	306.362	1.206	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCc1nccc(C(F)F)n1	288873823	QZEWKPUMMJJNIQ-UHFFFAOYSA-N	317.296	1.653	50	20	DDGD	
C=CC[C@H](CC)NC(=O)NNC(=O)[C@H]1COc2ccccc2O1	281327169	LBCMKGJFDFZBBS-SMDDNHRTSA-N	319.361	1.512	50	20	DDGD	
CCCN(CC)CCNC(=O)NNC(=O)c1cccc(C)n1	281013519	WWPHJNDTNGYNJD-UHFFFAOYSA-N	307.398	1.066	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)C1	287444193	NWRVXYVWHHUBPI-UNXYVOJBSA-N	324.352	1.556	50	20	DDGD	
Cc1occc1CNC(=O)NNc1ccc(-n2ccnc2)nn1	804977144	NSGMDMUVXAJYLA-UHFFFAOYSA-N	313.321	1.390	50	20	DDGD	
CC(C)(C)n1cnc(C(=O)NNC(=O)Cc2ccc(F)cc2)n1	291043300	YPIHAWBMZFFNFY-UHFFFAOYSA-N	319.340	1.176	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2ccccc2OC)ccn1	806663410	QSKGQGCNHXBQCJ-UHFFFAOYSA-N	316.317	1.565	50	20	DDGD	
C[C@H](C(=O)NNc1ccccc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	298133777	GFSKLHPSBBGFIM-BNOWGMLFSA-N	315.373	1.693	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)[C@@H]1CCCO1)c1ccccc1F	294641140	MBJYGAHKOQLKNR-SWLSCSKDSA-N	310.325	1.014	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@@H]1CCc2ccccc2OC1	801055579	OTZLZHUDOVBVNV-CQSZACIVSA-N	317.389	1.901	50	20	DDGD	
Cc1cc(F)c(NC(=O)NNC(=O)CC2CC2)cc1[N+](=O)[O-]	296835619	TULKZWUGTFEGGF-UHFFFAOYSA-N	310.285	1.995	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1cnnn1-c1ccccc1	807961675	ACDDQYDBRAUVDA-UHFFFAOYSA-N	307.317	1.211	50	20	DDGD	
O=C(NNc1ncccc1F)Nc1cnn(-c2ccccn2)c1	806294454	OGDOYLLXACQCCS-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1	294571816	AYOXJQKMFMEYJD-AWEZNQCLSA-N	324.768	1.526	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@H]1C[C@H](c2ccccc2F)C1	292522818	FRODSHJOUGLDQI-MJVIPROJSA-N	321.352	1.581	50	20	DDGD	
O=C(NNc1nnc[nH]1)C1(Cc2cccc(F)c2)CCOCC1	298262934	GTEVFLFAUQTYGT-UHFFFAOYSA-N	319.340	1.426	50	20	DDGD	
CC[C@H](C)[C@@H](CNC(=O)NNc1nc2ccccn2n1)OC	298209628	UNBHDTFTJCYBSH-WDEREUQCSA-N	306.370	1.417	50	20	DDGD	
O=C(NC[C@H]1CCN(c2ccccc2)C1)NNc1ccncn1	296511750	ZKNKOPAMLUCYIL-CYBMUJFWSA-N	312.377	1.629	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2ncccc2F)c1Br	804215385	OETKZVCLCNRXKA-UHFFFAOYSA-N	314.118	1.772	50	20	DDGD	
C[C@H](NC(=O)NNc1ncccn1)[C@H]1OCCc2sccc21	292173791	OGCMIVWTSVKNDO-JOYOIKCWSA-N	319.390	1.867	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1cnc2ccccn12	803437808	YVLQYNAGZCZVKH-UHFFFAOYSA-N	319.324	1.933	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@H](C)Cc2cccs2)O1	297228165	YCJVCVSVIYKAFV-SCVCMEIPSA-N	311.407	1.577	50	20	DDGD	
CN(NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1)C1CC1	819648095	WYDYGWMPWMZQHQ-UKRRQHHQSA-N	321.808	1.985	50	20	DDGD	
Nc1ccc(C(=O)NNc2cccc(Cl)n2)cc1[N+](=O)[O-]	817007990	YWPUOHUNHZSPSC-UHFFFAOYSA-N	307.697	1.982	50	20	DDGD	
O=C(CSc1ccccc1[N+](=O)[O-])NNC(=O)CC1CC1	819135862	FQRXJEDUNVAIRL-UHFFFAOYSA-N	309.347	1.634	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)COc1ccc(C#N)cc1	812532415	RMLIXMZNEUNUHV-VXGBXAGGSA-N	319.361	1.003	50	20	DDGD	
CO[C@@H]1CCC[C@H](C(=O)NNC(=O)Cc2ccc(F)cc2)C1	814368439	DKJPIMDOOQAPIM-GXTWGEPZSA-N	308.353	1.721	50	20	DDGD	
CO[C@@](C)(C=NNC(=O)[C@H]1COc2ccccc2O1)C1CC1	814700704	BCDQMCSUERJNHC-ZBFHGGJFSA-N	304.346	1.744	50	20	DDGD	
CN(NC(=O)[C@@H]1CCCN1c1ncnc2sccc12)C1CC1	819647206	JSHTZTNIWGWNME-LBPRGKRZSA-N	317.418	1.786	50	20	DDGD	
CCOc1ccc(NNC(=O)CCCN2C(=O)CCC2=O)cc1	817925392	FKQBSBOKFOPAKB-UHFFFAOYSA-N	319.361	1.458	50	20	DDGD	
C[C@@](C#N)(CC(=O)O)C(=O)NNc1ncnc2ccsc12	819848212	RDSYASUTFWGVPI-LBPRGKRZSA-N	305.319	1.139	50	20	DDGD	
O=C(NN=CCC1CCCCC1)N[C@H]1CCS(=O)(=O)C1	814815691	GODYLZZBKZWGEG-LBPRGKRZSA-N	301.412	1.429	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1	819880348	QRIAFYNOYVZZFN-HIJJYWJESA-N	305.300	1.573	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)Nc2ccc(OC)cc2)C1	813576094	LCHIJOQPDGRGDA-UHFFFAOYSA-N	307.350	1.663	50	20	DDGD	
O=C(C[C@@H]1CCCS(=O)(=O)C1)NNc1cc(Cl)ccn1	815983406	BEUMMBVMJXWERK-VIFPVBQESA-N	317.798	1.393	50	20	DDGD	
Cc1cccc(NC(=O)NCC(=O)NNC(=O)CC2CC2)c1	819126830	VWBBLSLFCRCXBR-UHFFFAOYSA-N	304.350	1.064	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)c2cccc(C#N)c2)cn1	728945978	SGUSIGCWBIZKQL-UHFFFAOYSA-N	309.329	1.406	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1)c1c[nH]c(-c2nn[nH]n2)c1	826447586	MJXQWLMJRWHZIZ-UHFFFAOYSA-N	303.713	1.605	50	20	DDGD	
CN(C)CC1(C(=O)NNC(=O)c2ccc(Cl)cc2F)CC1	820549424	MSVMSPSNXLDTMJ-UHFFFAOYSA-N	313.760	1.582	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	822205053	JYNFTHSQTAHZJE-CQSZACIVSA-N	303.362	1.673	50	20	DDGD	
CCCNC(=O)NNC(=O)CCOc1ccc(Cl)c(F)c1	823950736	KTZFHNGCZUDEFV-UHFFFAOYSA-N	317.748	1.988	50	20	DDGD	
Cc1n[nH]cc1CNC(=O)NNC(=O)CCc1ccccc1	727238170	HKRMRNNLENRCHA-UHFFFAOYSA-N	301.350	1.181	50	20	DDGD	
CC(C)NC(=O)NCCOC(=O)/C(C#N)=C/c1ccc(O)cc1	828900234	XKCAPAIMPBCMIA-UKTHLTGXSA-N	317.345	1.550	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)/C=C\c1ccccc1OC(F)(F)F	823907973	QYHXAJYXCNOMNE-DMEOUFDRSA-N	318.295	1.942	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)NC2CC2)CCC1)NC1CCCCC1	729298037	OZWDCQCASSPREW-UHFFFAOYSA-N	322.409	1.098	50	20	DDGD	
CCc1ncc(C=NNC(=O)CNC(=O)OC(C)(C)C)s1	494726533	PDMASDMKMQAEBJ-UHFFFAOYSA-N	312.395	1.680	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](c2ccncc2)C1	829817634	PEAZEMQLVUCUAU-OCCSQVGLSA-N	304.394	1.207	50	20	DDGD	
O=S(=O)(CCl)N[C@H](CN1CCOCC1)c1ccccc1	829935613	KGWHBSZCMOMOCS-CYBMUJFWSA-N	318.826	1.176	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)COc1cccc(Br)c1	823992774	APUYMDAUJRAMGQ-VIFPVBQESA-N	317.183	1.172	50	20	DDGD	
COC(=O)CC(=O)NNc1ccc(Br)c(C)c1	907095211	XFSMJPVSIQVHTC-UHFFFAOYSA-N	301.140	1.764	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc3c(c2)C[C@@H](C)O3)o1	829831302	LMFHTMVBYQJKSR-SNVBAGLBSA-N	300.314	1.986	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC(OC[C@H]2CCCO2)CC1	827035541	NLIFPMHOWNJIGC-BMOGTNHUSA-N	308.378	1.617	50	20	DDGD	
O=C(C[C@H]1COCCN1S(=O)(=O)CCl)c1cccs1	820795689	MXBACQFPRXNAJR-VIFPVBQESA-N	323.823	1.548	50	20	DDGD	
CN(C)CC1(C(=O)NNc2cc(C(F)(F)F)ccn2)CC1	823219377	ZFMZVQYWFJJNOZ-UHFFFAOYSA-N	302.300	1.885	50	20	DDGD	
CNC(=O)NNC(=O)[C@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C	497097035	HMNHJGATENTGHO-NXEZZACHSA-N	316.402	1.132	50	20	DDGD	
Cc1ccncc1/C=C\C(=O)NN=c1nc(-c2cccnc2)[nH]o1	492427015	OMQNTBXCIPQWDS-PLNGDYQASA-N	322.328	1.413	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)C(F)(F)CC)o1	823595164	DRVRQGGZLINKAR-UHFFFAOYSA-N	317.336	1.928	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNC(=O)NCC1=CCCC1	823097871	BAOBDYBDZYZVQJ-UHFFFAOYSA-N	314.345	1.378	50	20	DDGD	
COCCC(=O)NNC(=O)c1ccc(OCCC(C)C)cc1	727063024	FJMXVBBEOYUFNW-UHFFFAOYSA-N	308.378	1.909	50	20	DDGD	
OB(O)c1ccc(CN[C@H](c2ccc(Cl)cc2)C2CC2)o1	585016294	LSZQCUACYYNZEH-HNNXBMFYSA-N	305.570	1.854	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@H]2OCCc3ccccc32)cn1	823315795	UCWDWWDAOAYJSO-YBYKNVHQSA-N	322.368	1.757	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)c1F	909362165	RQEDPKMFGRZOED-VSYUYLJXSA-N	306.293	1.281	50	20	DDGD	
CC(C)(CCNC(=O)c1cccc(B(O)O)c1)c1ccccc1	584933239	FQFWZCHUNBINTD-UHFFFAOYSA-N	311.190	1.464	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCc1ccccc1	825525864	JYLYLHYFOWJWAA-JSGCOSHPSA-N	305.378	1.375	50	20	DDGD	
O=C(O)c1cccc(C(=O)NNC(=S)Nc2ccccn2)c1	821549438	BUVNSJZOOQOIBF-UHFFFAOYSA-N	316.342	1.411	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc(C3OCCO3)cc2)n1	821480372	CRKQXNBTGRIUJD-UHFFFAOYSA-N	316.317	1.288	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CC1CCCC1	490934717	IVRBSMFRYMCBQV-SNVBAGLBSA-N	313.398	1.627	50	20	DDGD	
CC(=NNC(=O)c1cc(C)[nH]n1)c1cnn(CC2CCC2)c1	901208629	RKHYZPJSNDJYPT-UHFFFAOYSA-N	300.366	1.869	50	20	DDGD	
C[S@@](=O)C1(CNC(=O)/C(C#N)=C\c2ccc(F)cc2)CC1	491050405	PQZASPMPXBTEIN-PRUHCIRGSA-N	306.362	1.760	50	20	DDGD	
CN(C)Cc1ccc(NCc2cccc(B(O)O)c2)c(F)c1	585045552	DGRPJYCFDJLUGM-UHFFFAOYSA-N	302.158	1.179	50	20	DDGD	
C[C@@H](CN1CCCCC1)NC(=O)/C(C#N)=C/c1cnn(C)c1	491011169	OAJLXSIZJXQANS-LIOBOASVSA-N	301.394	1.318	50	20	DDGD	
CC(C)(C)OC(=O)NCC1(C(=O)NNc2ncccc2F)CC1	495629174	OYNWWLPRNMPBSZ-UHFFFAOYSA-N	324.356	1.969	50	20	DDGD	
CC(C)[C@@H](NC(=O)O)C(=O)NNc1ccc(F)c(F)c1F	736376572	VYFXRJXLTBDIPV-SNVBAGLBSA-N	305.256	1.839	50	20	DDGD	
COC(=O)[C@]1(C)CCCN(C(=O)/C(C#N)=C\c2cnn(C)c2)C1	491129513	GUNCODNULUMJGP-VXXVJXPCSA-N	316.361	1.129	50	20	DDGD	
CNC(=O)[C@@H]1CCCN(C(=O)[C@]2(C)C[C@@H]2Br)C1	906645731	YLZWYHAUYVBLIA-VDDIYKPWSA-N	303.200	1.145	50	20	DDGD	
C[C@@H]1[C@H](CO)CCCN1C(=O)/C(C#N)=C/c1ccc(O)cc1	491137414	XNWQQRBXBYETEZ-ZGYXVDOPSA-N	300.358	1.919	50	20	DDGD	
N#Cc1ccc(C(=O)NN[C@H](C(=O)O)c2ccc(C#N)cc2)cc1	739101479	JBVXKFZNUPXLHH-HNNXBMFYSA-N	320.308	1.490	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](CO)CCOC)cc1	491010733	MTJZLIBUXUCGGJ-YVGNARHYSA-N	318.373	1.506	50	20	DDGD	
COc1ccc(C(=O)NNc2ccccc2S(C)(=O)=O)cc1	732304418	MRQMUTVTIXBFEL-UHFFFAOYSA-N	320.370	1.856	50	20	DDGD	
COCCOc1cccc(C=NNC(=O)[C@H]2CCCCO2)c1	834989443	SGLGSPHMFJCTQT-OAHLLOKOSA-N	306.362	1.731	50	20	DDGD	
O=C(NN=Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1	730577628	KQBKOLWHWNCUMP-JTQLQIEISA-N	300.767	1.225	50	20	DDGD	
CC(C)[C@@H](NCc1cccc(B(O)O)c1)[C@H](O)c1ccccc1	585039536	WQLVBBJQEDJDDC-QZTJIDSGSA-N	313.206	1.214	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)NCC(=O)O)cc1OC	833652178	OUNRPBIFMNNQBC-UHFFFAOYSA-N	309.322	1.202	50	20	DDGD	
CN1C[C@H](N(C)C(=O)[C@]2(C)C[C@@H]2Br)CCC1=O	908369798	FVZYUSRGXYSZRN-VDDIYKPWSA-N	303.200	1.239	50	20	DDGD	
Cc1ccc(NNC(=O)CCN2C(=O)CCC2=O)c(Cl)c1	836938348	LUUQOVCPULDFJT-UHFFFAOYSA-N	309.753	1.631	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@H](C)OC2(CCC2)C1	830733917	DYFJIFMQBWHPMC-STQMWFEESA-N	311.426	1.212	50	20	DDGD	
O=C(C[C@H]1CCc2ccccc2C1)NNC(=O)[C@H]1CCCCO1	833250161	CUJLHLPXNSVKPZ-XJKSGUPXSA-N	316.401	1.898	50	20	DDGD	
Cn1nnc2cc(NC(=O)NNC(=O)CC(C)(C)C)ccc21	831965623	BNQCHLAXLNPCHB-UHFFFAOYSA-N	304.354	1.557	50	20	DDGD	
CO[C@](C)(CNC(=O)NNc1ccncn1)c1ccccc1	836594551	WNJOLONFSDHJSX-OAHLLOKOSA-N	301.350	1.665	50	20	DDGD	
CCOc1cc(NCc2ccc(B(O)O)cc2F)ccc1C	585043149	YPRUCYPUPXOETI-UHFFFAOYSA-N	303.142	1.825	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCN2CCO[C@H](C)C2)cc1	838114295	UPOFCZLBIVZSAR-CYBMUJFWSA-N	322.409	1.432	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCCO1)c1cccc(N2CCC2=O)c1	834985237	GZBRMLBASQRJEJ-OAHLLOKOSA-N	315.373	1.833	50	20	DDGD	
CC1CCN(C(=O)c2ccc(N3CC[C@@H](B(O)O)C3)nc2)CC1	585072375	AHIMOWRMZYQXCC-CQSZACIVSA-N	317.198	1.007	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)c1ccc(F)c(F)c1	730779233	YPOGKWFBVWSYIF-UHFFFAOYSA-N	322.267	1.510	50	20	DDGD	
CC[C@@H](COc1ccccc1F)NCc1ccccc1B(O)O	585024622	ZXUKCTFQNSYZJK-AWEZNQCLSA-N	317.169	1.453	50	20	DDGD	
Cn1c(=NNC(=O)c2cncc(Cl)n2)sc2ccccc21	588565121	KWKIXPAUXFXHSU-UHFFFAOYSA-N	319.777	1.929	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(CC)Cc1ccc2c(c1)OCO2	731849086	TWUGVQZWQGVKNP-NSHDSACASA-N	321.377	1.183	50	20	DDGD	
OB(O)c1ccc(CNC2CCC3(CCOCC3)CC2)c(F)c1	585025699	AKBHAOWLFANDPU-UHFFFAOYSA-N	321.201	1.335	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)NC(=O)NNc1ncncc1Cl	836632850	QNXDVKJCZXQWGH-QMMMGPOBSA-N	309.761	1.121	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc(F)c(C#N)c1	831427554	UBZIKRPDTCEHFA-KWQFWETISA-N	306.297	1.275	50	20	DDGD	
C=C(C)CCNC(=O)NNC(=O)c1ccc(OC)c(OC)c1	836205836	UBJFFBSGYRFFTM-UHFFFAOYSA-N	307.350	1.614	50	20	DDGD	
C#CC[C@H](NC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)C(=O)O	910054514	TVKCLHFTFCIRTA-QISWUMQESA-N	314.179	1.533	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNc2cc(O)nc3ncccc23)[C@@H]1C	913996221	MIJBKWJMDRDSQT-PUXPGTEJSA-N	316.361	1.838	50	20	DDGD	
C=C(C)CCNC(=O)NNC(=O)CSc1ccccc1O	836579353	JMMYDELALOMNRV-UHFFFAOYSA-N	309.391	1.781	50	20	DDGD	
COCC1(CC(=O)NNC(=O)c2cccc(N(C)C)c2)CC1	843517515	NGHNAXFKBSGRGQ-UHFFFAOYSA-N	305.378	1.330	50	20	DDGD	
CC(=O)OCC(C)(C)CC(=O)NNc1nc2ccccc2n1C	848379990	VEVPHFYFEGZZRA-UHFFFAOYSA-N	318.377	1.996	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1cnc2cccnn12	846155959	RFULMTVUYPZGJW-UHFFFAOYSA-N	309.333	1.544	50	20	DDGD	
CO[C@]1(C=NNC(=O)[C@@H](C)Oc2ccccc2F)CCOC1	841612604	LXQRTPOQGHRFBZ-ABAIWWIYSA-N	310.325	1.501	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc2c(c1)NC(=O)CCS2	910178462	XBFCVGHJGBDKSZ-VIFPVBQESA-N	309.391	1.078	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)Nc1cccc(NC(=O)NN(C)C)c1	843870588	KFBFIRNBGKIJII-JTQLQIEISA-N	321.381	1.138	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1ccc(CC(=O)O)cc1	745592178	QLVVHRRHZHOWAV-UHFFFAOYSA-N	305.334	1.080	50	20	DDGD	
Cc1ncc2n1C[C@@H](C(=O)NNc1nccnc1C(C)C)CC2	846019086	ONQKIRCLHIXPCC-LBPRGKRZSA-N	314.393	1.811	50	20	DDGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)[C@@]1(O)CCOC1	840401764	NSBOVMYNQUMUPX-GFCCVEGCSA-N	320.267	1.222	50	20	DDGD	
O=C(NCCN1CCCC1=O)NNc1cc(F)c(F)c(F)c1	845483214	KJKLQDKBDCLGOC-UHFFFAOYSA-N	316.283	1.352	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc([N+](=O)[O-])n2C)n1	748336061	RISANNQJMIJPTH-UHFFFAOYSA-N	310.701	1.442	50	20	DDGD	
CS(=O)(=O)N1CCC(=NNC(=O)CC2CCCC2)CC1	747631074	YOABSBVXXUYMIR-UHFFFAOYSA-N	301.412	1.094	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc2c1OCCCO2	844619463	FIKHBGSDXQUAEI-WDEREUQCSA-N	320.345	1.034	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)OCc2cn(C(C)(C)C)nn2)cn1	849791226	GJIGFRVKBOAWGB-XGICHPGQSA-N	314.349	1.417	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=Cc1csnn1	915944415	PRDBUNBCRPJKTG-UHFFFAOYSA-N	306.347	1.466	50	20	DDGD	
COCCCCN(C)CC(=O)NNC(=O)Cc1ccccc1C	842171074	ILZQXSAUJCPTIV-UHFFFAOYSA-N	321.421	1.043	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc(C)nc3cc(C)nn23)n1	916988974	UQWUJYZSNQXYCK-UHFFFAOYSA-N	311.349	1.510	50	20	DDGD	
O=C(O)CCCCC(=O)NNc1nc(-c2ccncc2)no1	848449788	YSXFQRKUIHVMSM-UHFFFAOYSA-N	305.294	1.220	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NNc1ncc(Br)cn1	848319930	GLYDMKBWHPDEDJ-HTQZYQBOSA-N	301.144	1.107	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccc2c(c1)OCO2)c1ccco1	741660398	VQXZIOMJTXRMPL-VIFPVBQESA-N	302.286	1.573	50	20	DDGD	
CCOc1ccc(CCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	843650055	ZDUMNKRSMUTFNM-DOMZBBRYSA-N	320.389	1.590	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)N[C@H](C)CCCN)c1	841999358	HVROOXLPHWTVEY-CYBMUJFWSA-N	322.409	1.140	50	20	DDGD	
CCCCn1ncc(NC(=O)NNC(=O)CCCN)c1C(C)C	841213992	VOZJWZVNPHWYSQ-UHFFFAOYSA-N	324.429	1.698	50	20	DDGD	
Cc1cc(C)cc(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1	921259769	IOQBJSUSPNZGPD-ZDUSSCGKSA-N	309.391	1.124	50	20	DDGD	
CCCNC(=O)NNC(=O)Cc1noc2ccc(OC)cc12	841384930	KBHAVIRZNWVOHJ-UHFFFAOYSA-N	306.322	1.119	50	20	DDGD	
COCC1(CC(=O)NNC(=O)CCc2ccc(OC)cc2)CC1	843535426	IJDMINWPCLVXFL-UHFFFAOYSA-N	320.389	1.592	50	20	DDGD	
CCCN1CCC[C@H]1C(=O)NNC(=O)COc1ccc(C)cc1	749560202	IINARPJVQSENSE-HNNXBMFYSA-N	319.405	1.396	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Cn1ccc2ccccc21)[C@H](C)O	842231104	GGKUCRKMSHRMGM-WCQYABFASA-N	303.362	1.196	50	20	DDGD	
CCN(Cc1ccccc1)C(=O)CNC(=O)NNC(=O)C(C)C	920051169	KLVGBKNGIOXDFM-UHFFFAOYSA-N	320.393	1.022	50	20	DDGD	
CCCNC(=O)NNC(=O)Cc1cccc(Br)c1	751372963	YVCTUUNJYGSKJZ-UHFFFAOYSA-N	314.183	1.732	50	20	DDGD	
CCS(=O)(=O)CCCNC(=O)NNc1ccc(C)c(F)c1	854178224	JSMKGTZEECYYBG-UHFFFAOYSA-N	317.386	1.585	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)c2ccc(C#N)cc2)[C@@H]1C	858918249	DRMGEUQZVZMEEY-DEKYYXRVSA-N	301.346	1.379	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ccnc(C2CC2)n1	759303499	MKHWPRJDGHOFSV-UHFFFAOYSA-N	300.278	1.414	50	20	DDGD	
CCC(C#N)(CC)C(=O)NNC(=O)COc1ccccc1OC	858126716	HGMOISYDQPOPPL-UHFFFAOYSA-N	319.361	1.551	50	20	DDGD	
C[C@H](NC(=O)NC[C@]1(C)C[C@@H]1Br)c1nc[nH]n1	856955087	VQPCKNYMPFUDLR-BYULHYEWSA-N	302.176	1.338	50	20	DDGD	
C#CC[C@@H](CCOC)NC(=O)NNC(=O)CCc1ccccc1	859022605	OTIRQWOEEREGHM-HNNXBMFYSA-N	317.389	1.378	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cccc(F)n1)[C@@H]1C[C@H]2CC[C@H]1C2	853212092	KLSOSJZWXREHNO-BJDJZHNGSA-N	320.368	1.989	50	20	DDGD	
O=C(NCCCc1nc[nH]n1)NNc1ccc(Cl)cc1F	923128323	NIIWWDDGJGSVHP-UHFFFAOYSA-N	312.736	1.856	50	20	DDGD	
O=C(Cc1ccn(-c2ccccc2)n1)NNC(=O)c1ccc[nH]1	756906505	KSIKFJXTKKQOFP-UHFFFAOYSA-N	309.329	1.204	50	20	DDGD	
CO[C@H](C(=O)NC[C@]1(C)C[C@H]1Br)c1cnn(C)c1	857387812	NAMNBRWFCCFPHR-SCVCMEIPSA-N	316.199	1.397	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@]1(C(=O)OC(C)(C)C)C[C@H]2CC[C@H]1C2	854213551	IVCDIRPUOQQCMJ-PRXAMGSTSA-N	324.421	1.938	50	20	DDGD	
COCCN(C)CCNC(=O)NC[C@@]1(C)C[C@@H]1Br	856830545	PCESHDPETIHCLA-CMPLNLGQSA-N	322.247	1.037	50	20	DDGD	
CC(C)OC(=O)CCNC(=O)NC[C@@]1(C)C[C@H]1Br	856818773	UOTZVNOWBIOJSC-BXKDBHETSA-N	321.215	1.801	50	20	DDGD	
C[C@@H]1CCN(C(=O)NC[C@]2(C)C[C@H]2Br)[C@H]1CO	856955689	QQFPVYXANYOVCU-KLBPJQLPSA-N	305.216	1.572	50	20	DDGD	
C=C(CBr)COC(=O)COCc1nc(CC)no1	923717994	AURUPHJQBUCDGI-UHFFFAOYSA-N	319.155	1.643	50	20	DDGD	
Cc1ccc(F)c(CC(=O)NNC(=O)OCC(F)(F)F)c1	856027559	QRQADQNBSOFIFI-UHFFFAOYSA-N	308.231	1.996	50	20	DDGD	
CCCCn1ncc(NC(=O)NNC(=O)c2cccnc2)c1C	757750596	UZSZWSMAROEOAT-UHFFFAOYSA-N	316.365	1.853	50	20	DDGD	
O=C(NC[C@H](C(=O)O)C1CCC1)NNC(=O)c1ccccc1F	854235055	NEDDHNABDMOLAI-NSHDSACASA-N	323.324	1.271	50	20	DDGD	
CNC(=S)N(C)NC(=O)Cc1ccc(C(F)(F)F)cc1	854926912	PEPNZFYVHVHNKK-UHFFFAOYSA-N	305.325	1.715	50	20	DDGD	
C[C@]1(CNC(=O)N2CCc3c[nH]nc3C2)C[C@@H]1Br	856953609	MGHJVIGNKZSANH-CMPLNLGQSA-N	313.199	1.651	50	20	DDGD	
CN1C(=O)CC[C@H]1CC(=O)NNc1nccnc1C1CCC1	854458808	SFHDQYLIBCTWFJ-NSHDSACASA-N	303.366	1.198	50	20	DDGD	
COC1(C(C)=NNC(=O)[C@@H]2COc3ccccc3O2)CCC1	853261605	ONIZEBVZFCIFGY-AWEZNQCLSA-N	304.346	1.888	50	20	DDGD	
CCCNC(=O)NN=Cc1ccc(OCC(=O)O)c(OC)c1	755674663	ZWDPASAFVKDZAV-UHFFFAOYSA-N	309.322	1.202	50	20	DDGD	
COC(=O)CCC[C@@H]1CCCC(=NNC(=O)[C@@H]2CCC(=O)N2)C1	863150519	WHYXDWCQCBUMEW-AAEUAGOBSA-N	323.393	1.271	50	20	DDGD	
CCC[C@@H]1C(=O)NCCN1S(=O)(=O)CC(C)(C)CCl	867034054	QPQYXNHDTSBZSY-SNVBAGLBSA-N	310.847	1.182	50	20	DDGD	
Cc1cscc1NC(=O)C(=O)NNC(=O)c1ccccc1C	763956820	XUJHCBVUAQUDCQ-UHFFFAOYSA-N	317.370	1.765	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@@H]1CCc2cccnc21	863098826	UZTXFQMZOOYBLC-MRVPVSSYSA-N	309.238	1.930	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)NNC(=O)c2ccc(Cl)cc2)CN1	861685842	RILFVUDUAXRQOA-SKDRFNHKSA-N	310.785	1.425	50	20	DDGD	
CN(C)c1ccc2c(c1)N(C)C(=O)C2=NNC(=O)C1CCCC1	761782776	ZKWLKSMUKVXWKB-UHFFFAOYSA-N	314.389	1.740	50	20	DDGD	
N#CCNC(=O)COC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	869462319	QKBLTKFEWFZSNM-YGOYTEALSA-N	315.167	1.123	50	20	DDGD	
CCOc1cccc(C(=O)NNC(=O)Cc2cc(C)[nH]n2)c1	869012589	XJPWPBJSYDGBOA-UHFFFAOYSA-N	302.334	1.121	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(C(C)C)cc2O)n[nH]1	768278883	WHINRIZCCZWKSW-UHFFFAOYSA-N	302.334	1.622	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCSc3ccccc32)n[nH]1	768278801	VHUCEFRHLWWCKP-LLVKDONJSA-N	316.386	1.759	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1cc(Br)ccc1F	763172207	HGSVWZFQHTUGHW-UHFFFAOYSA-N	316.174	1.990	50	20	DDGD	
C[C@H]1CC(=NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)CN1C	761812214	JHDDOQSKQLAQPQ-JTQLQIEISA-N	324.406	1.292	50	20	DDGD	
CC[C@](C)(NC(=O)NNC(=O)c1cccnn1)C(F)(F)F	933507502	VLPFCPHURNPORV-JTQLQIEISA-N	305.260	1.152	50	20	DDGD	
COc1ccc(Cl)cc1NC(=O)C(=O)NNc1cnccn1	766257209	SUDJFKSURJXIOB-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)[C@]1(C2CCCC2)CCNC1=O	863863653	JOKKCDSLKQPZQK-KRWDZBQOSA-N	321.421	1.411	50	20	DDGD	
CNc1nccc(C(=O)NN[C@@H](C)C(F)(F)F)c1[N+](=O)[O-]	862320450	RZMKTHNEMVXIIE-YFKPBYRVSA-N	307.232	1.217	50	20	DDGD	
COC(=O)c1ccccc1CCC(=O)NNc1ncc(F)cn1	760906143	IIEBCHAWJFSHGT-UHFFFAOYSA-N	318.308	1.478	50	20	DDGD	
CC(C)N(C)c1cccc(NC(=O)NNC(=O)c2cn[nH]c2)c1	860631000	LIEPBPZEMOCXTA-UHFFFAOYSA-N	316.365	1.721	50	20	DDGD	
Cc1ccc(CC(=NNC(=O)[C@H]2CCC(=O)N2)C(C)C)cc1	863149306	WYCFYHMHCWDWJP-CQSZACIVSA-N	301.390	1.944	50	20	DDGD	
COCCC(=NNC(=O)Cc1cc(C)[nH]n1)C1CCOCC1	764906029	WRGKVJPBXFVCBE-UHFFFAOYSA-N	308.382	1.196	50	20	DDGD	
CC(C)(C(=O)NNC(=S)NCc1ccon1)c1ccccc1	764478206	MMJUOFRWECLZNZ-UHFFFAOYSA-N	318.402	1.648	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=S)NCc1ccon1	764451580	FWWRAGJAGWXLKK-UHFFFAOYSA-N	324.793	1.566	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cnc(O)n1C)c1ccccc1	865692253	CGOINOLBKXLIOM-LLVKDONJSA-N	302.334	1.081	50	20	DDGD	
C[C@H](c1ccccc1F)[C@@H](O)C(=O)NNC(=O)[C@@H]1CCCCO1	868618979	DLKSTDVDWXCTSC-DDTOSNHZSA-N	324.352	1.007	50	20	DDGD	
CCc1ncc(S(=O)(=O)NNC(=O)NC2CCCC2)s1	763373849	MVPFJXFPNGMNGW-UHFFFAOYSA-N	318.424	1.141	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C(=O)N1CCC[C@H](C)C1	767815812	VMKFELRIDICZJZ-JTQLQIEISA-N	322.317	1.767	50	20	DDGD	
O=C(NNC(=O)C1CC1)C(=O)Nc1ccc(-c2ccc[nH]2)cc1	763563109	OWPJJZNTBNLWOA-UHFFFAOYSA-N	312.329	1.178	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccnn2C2CCCC2)n1	768144193	BZJBDOVIMOOSJU-UHFFFAOYSA-N	315.381	1.611	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H]2CCSC2)c1	761783742	BDAJJHMOFCGXSL-LBPRGKRZSA-N	308.403	1.583	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)CCC(=O)c2ccccn2)n1	771739401	SBLBYJNTSPMHBK-UHFFFAOYSA-N	320.740	1.213	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(N)c(Cl)c1	772138890	HGXXQXRIXHDETB-SSDOTTSWSA-N	313.741	1.025	50	20	DDGD	
COc1cccc(C)c1NC(=O)NNC(=O)c1c[nH]nc1C	772488955	KTJKRCRPRGWLEK-UHFFFAOYSA-N	303.322	1.502	50	20	DDGD	
Cc1ccc2oc(C(=O)NNc3nncc(N)c3Cl)cc2n1	1116292355	DTMYDDGHSRYQLS-UHFFFAOYSA-N	318.724	1.919	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(C)n(C(C)(C)C)n1	772025631	ZBMMERMWPCZRGL-SNVBAGLBSA-N	324.381	1.049	50	20	DDGD	
N#CSCCCNC(=O)c1cnc(-c2ncccn2)s1	773586590	IKSZGFYDUMYPBV-UHFFFAOYSA-N	305.388	1.934	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H]1CCCCN1C	873769906	SMQHIADWNCVJQW-LBPRGKRZSA-N	322.434	1.497	50	20	DDGD	
CC(C)Oc1cc(NC(=O)NNC(=O)c2ccc[nH]2)ccn1	779929408	MXWAFBDEESHSPA-UHFFFAOYSA-N	303.322	1.663	50	20	DDGD	
CN(C)C(=O)c1ccc(OS(=O)(=O)CCCCl)cc1	881784299	SLSRYHDJQNOFFY-UHFFFAOYSA-N	305.783	1.726	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)C(=O)Nc1ccsc1	773991644	JIMGFNORABJQQY-UHFFFAOYSA-N	305.363	1.743	50	20	DDGD	
CC(=NNC(=O)Cn1nc(C)cc1C)c1cc(O)ccc1F	872334637	HLWZCIAQUKLRCQ-UHFFFAOYSA-N	304.325	1.885	50	20	DDGD	
CCN(CCCNC(=O)NN(C)C(=O)OC)C1CCCCC1	875691691	CFHPJAVKXWVOHZ-UHFFFAOYSA-N	314.430	1.944	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@@H]1CC[C@@H](C)C1	776452074	GCSQBBPRPSPRDY-VXGBXAGGSA-N	305.378	1.691	50	20	DDGD	
COc1ccc2cc(C(=O)NNC(=O)Cc3cc[nH]n3)ccc2c1	1116560412	LNGKERSAAYOQCQ-UHFFFAOYSA-N	324.340	1.575	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(N2CCSCC2)cc1	878790013	AOQHLXBFJIVKSG-UHFFFAOYSA-N	324.450	1.855	50	20	DDGD	
O=C(COC(=O)C1CCC=CCC1)NNC(=O)c1cccs1	873429362	UQHAEIIAPJFEPQ-UHFFFAOYSA-N	322.386	1.799	50	20	DDGD	
C[C@H](CBr)COC(=O)[C@H](C)N1CCSCC1	770397209	AIRZDPRFKRAUIJ-ZJUUUORDSA-N	310.257	1.998	50	20	DDGD	
CCCn1ncc(C(=O)NNc2ccc(C(=O)OC)cn2)c1C	1120715406	UJHBZAQPPCFIEE-UHFFFAOYSA-N	317.349	1.540	50	20	DDGD	
O=C(CCc1ccc(O)nc1)NNC(=O)c1ccccc1F	786623295	ADALYWIODWCPFC-UHFFFAOYSA-N	303.293	1.320	50	20	DDGD	
CC(=O)N[C@H](CC1CCC1)C(=O)NN=c1cc[nH]cc1Cl	787529107	UWDPXWSKEDWVDY-CYBMUJFWSA-N	310.785	1.295	50	20	DDGD	
COc1ccc(NNC(=O)NCCc2cccnc2C)nc1	1122265102	DOXBYVDIRQSSOZ-UHFFFAOYSA-N	301.350	1.662	50	20	DDGD	
C[C@@H]1CN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C[C@@H](CO)O1	787318697	IFMJGOVMTYIOOE-NICMSDSPSA-N	303.318	1.541	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1)c1coc(C)n1	788976745	GWGPKBPDWNUPIX-UTUOFQBUSA-N	322.409	1.569	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2cccc3c2OCCO3)nn1	899094788	HLBPZSINFNLIMK-UHFFFAOYSA-N	315.333	1.383	50	20	DDGD	
CN1CCC[C@@H]1C(=O)NNC(=O)Cc1ccc2ccccc2c1	895749159	XBJOECYWBYQQJP-MRXNPFEDSA-N	311.385	1.624	50	20	DDGD	
CC(=NNC(=O)C1CCN(c2ncccn2)CC1)[C@H]1CCCO1	783845952	JBRHSLOWVNAEBZ-CQSZACIVSA-N	317.393	1.364	50	20	DDGD	
O=C(NC[C@@H]1C[C@@H]2CC[C@H](C1)N2)NNc1ncc(F)cc1F	892588138	WBZJNDVUYOVSDJ-GUDFOSOFSA-N	311.336	1.517	50	20	DDGD	
CCC(=NNC(=O)CNc1ccccc1OC)c1cn[nH]c1	788952135	QQCZDAINYHUVIE-UHFFFAOYSA-N	301.350	1.761	50	20	DDGD	
CC(C)[C@H](CC(F)(F)F)NCC(=O)NNC(=O)C(C)(C)C	782652400	DPQCBBHFKJJNFM-VIFPVBQESA-N	311.348	1.747	50	20	DDGD	
Cc1nn(CC(F)F)cc1C(=O)NNC(=O)CC(C)(C)C	894254090	DSCWCILWZXBZFJ-UHFFFAOYSA-N	302.325	1.654	50	20	DDGD	
CCCN(CC(=O)NC)C(=O)[C@@H](Br)C(C)(C)C	781079763	VNBDTPAARUCFFZ-SNVBAGLBSA-N	307.232	1.781	50	20	DDGD	
Cc1cc2ncc(C(=O)NNc3ncncc3Cl)c(C)n2n1	781822854	DYNUWXMUKMGDEN-UHFFFAOYSA-N	317.740	1.546	50	20	DDGD	
CCC(CC)(NC(=O)[C@H](Br)C(C)(C)C)C(N)=O	781084214	LZASQAWTFKOIHA-QMMMGPOBSA-N	307.232	1.956	50	20	DDGD	
CSSCCNC(=O)N(C)CCCNC(=O)C1CCC1	790877872	IZVYXSMOTUTBAK-UHFFFAOYSA-N	319.496	1.945	50	20	DDGD	
CN1CCN(C(=O)NN=C[C@@H]2CCOc3ccccc32)CC1	790175712	ISBZBPOSVAVYGP-ZDUSSCGKSA-N	302.378	1.496	50	20	DDGD	
COCc1nc(C)c(C(=O)NNc2nc3ccccn3n2)s1	791252309	KYURFEQSUVMCKD-UHFFFAOYSA-N	318.362	1.398	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1ccccc1-n1ccnn1	794886694	MWXVHFVTWWPLHL-UHFFFAOYSA-N	323.360	1.382	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	796434285	LXQHAGOMKBMZRO-INIZCTEOSA-N	311.345	1.573	50	20	DDGD	
CSSCCNC(=O)NC[C@H](C)CN1CCN(C)CC1	790764291	YAISLOLCMALCJI-LBPRGKRZSA-N	320.528	1.180	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Cc1cnn(C)c1C)c1ccccc1	794320256	LMZVJNOSGSUNNY-HNNXBMFYSA-N	314.389	1.612	50	20	DDGD	
Cc1nc(CCNC(=O)NNc2nc3ccccn3n2)cs1	790138042	DFTOXXPUSAYRBA-UHFFFAOYSA-N	317.378	1.363	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H](C)c2c(C)noc2C)cc1	1318100438	BSHGOVQBUIDINR-VIFPVBQESA-N	317.345	1.865	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCN(C[C@@H](CBr)C2CC2)C1	701845346	NPVRXPZVVMCISO-NEPJUHHUSA-N	324.284	1.917	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N=c2cc(C)[nH]cc2C)cc1	1320139125	CZUWSMDPEKTWIG-UHFFFAOYSA-N	314.345	1.595	50	20	DDGD	
CO[C@@H](C1CC1)[C@@H](C)NC(=O)NNc1nncc(N)c1Cl	1325372263	FCOUHRLWFIJUGZ-LHLIQPBNSA-N	314.777	1.152	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H](NC(C)=O)C(C)(C)C)cc1	1325098948	AFKFPAKNUPOIBC-CYBMUJFWSA-N	321.377	1.007	50	20	DDGD	
N#C/C=C/CSc1nnc(CCC(N)=O)n1Cc1ccco1	1322604211	KNOLOQOQCUGSJN-OWOJBTEDSA-N	317.374	1.509	50	20	DDGD	
O=C(NNC(=O)[C@@H]1Cc2ccccc21)c1n[nH]c2c1CCCC2	1329555082	HASYGQQSHMBHNM-CYBMUJFWSA-N	310.357	1.389	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(=O)n(C)c3ccccc23)ncn1	1339110520	JALWTIAJXDPFPJ-UHFFFAOYSA-N	309.329	1.394	50	20	DDGD	
Cc1cc(C(=O)NN(C)[C@H](C)CO)c(C)n1Cc1ccco1	1330260063	ADBBRVOMUZDABY-GFCCVEGCSA-N	305.378	1.704	50	20	DDGD	
O=C(CCc1ccc2c(c1)CCO2)NNC(=O)NCC1CC1	1252794333	SSMDQUYPKXSISU-UHFFFAOYSA-N	303.362	1.295	50	20	DDGD	
CCC(=NNC(=O)C(=O)OC)c1ccc(OC(F)F)cc1	1330773177	HGSYSKGGNPHQBF-UHFFFAOYSA-N	300.261	1.691	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=S)N[C@H](C)C2CC2)c1C	1262631928	SNNJGQOZBLEKNX-SECBINFHSA-N	309.439	1.509	50	20	DDGD	
COC(=O)C(=O)NNC(=O)NC[C@@H]1CCC[C@H]1c1ccccc1	1344568512	SAEKSPCUFVURBV-STQMWFEESA-N	319.361	1.074	50	20	DDGD	
COC(=O)C(=O)NN=Cc1cnn(Cc2ccccc2)c1Cl	1345138990	KZMDRNICAVLLKC-UHFFFAOYSA-N	320.736	1.208	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cnc(N(C)C)c(Cl)c1	1261546876	UKODZMQWDZRUHU-UHFFFAOYSA-N	315.830	1.318	50	20	DDGD	
Cn1cc(NC(=O)NNC(=O)[C@H]2CCCCO2)c(C(F)F)n1	1347912929	RBBRGOCPLJGKJP-MRVPVSSYSA-N	317.296	1.080	50	20	DDGD	
C[C@]1(COC(=O)c2cc3n(n2)CCCO3)C[C@H]1Br	1344051190	VHWALFGWXFEQQL-BXKDBHETSA-N	315.167	1.996	50	20	DDGD	
CC(C)CCOc1ccccc1NC(=O)NNC(=O)CCO	1349779996	XZDLAUGOEYYFKZ-UHFFFAOYSA-N	309.366	1.647	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2ocnc2C2CC2)c1	1347232925	CMASVQIBIXHJTR-UHFFFAOYSA-N	321.358	1.712	50	20	DDGD	
CCN(CC)CC[C@@H](C)NC(=O)NNc1nccc(OC)n1	1352179337	RONXYYSEVDFRLL-LLVKDONJSA-N	310.402	1.232	50	20	DDGD	
Cc1cccc2sc(NNC(=O)CN3C(=O)CCC3=O)nc12	1520302118	FUOLEKGYUZUOJD-UHFFFAOYSA-N	318.358	1.197	50	20	DDGD	
C[C@@H]1Nc2ccnn2[C@@H](C)[C@@H]1CCC(=O)NNc1ncccn1	1520773802	XRPORUOSMVNLSR-SDDRHHMPSA-N	315.381	1.588	50	20	DDGD	
Cc1cnccc1CC(=O)NNc1ccc(C(=O)O)cc1F	1600630044	MSQLQOZLRSKSAA-UHFFFAOYSA-N	303.293	1.913	50	20	DDGD	
Cn1nc(C(=O)O)cc1C=NNC(=O)c1ccc(Cl)cc1	1605540080	LBUGCQPENSODRM-UHFFFAOYSA-N	306.709	1.536	50	20	DDGD	
O=C(O)CCc1cccc(NC(=O)NNc2ncccn2)c1	1606215527	GTYLFSSFFDWSNR-UHFFFAOYSA-N	301.306	1.642	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)NC1CC(F)(F)C1	1608481857	SPQSDPAJIVYKDE-UHFFFAOYSA-N	303.240	1.948	50	20	DDGD	
COc1cc(/C=C(/C#N)c2ccncn2)ccc1-c1nn[nH]n1	1605206147	RUBNRVTVIHKLBG-WDZFZDKYSA-N	305.301	1.729	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNC(=O)c2cc3c(s2)CCC3)[nH]1	1602323593	LRUCMFBRRVRYLJ-UHFFFAOYSA-N	319.342	1.338	50	20	DDGD	
N#CC1=CCN(C[C@H](O)COc2ccc(C(=O)O)cc2)CC1	1601059132	VPNXQGSNEPRJIQ-AWEZNQCLSA-N	302.330	1.280	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2nc(-c3ccncc3)no2)o1	1602324186	FIJMHWDBLHIBBH-UHFFFAOYSA-N	315.245	1.180	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@@H](C(=O)O)c2ccccc2)cn1	1600947935	YMOJDQAOXNVOAU-WTWVRAIASA-N	310.313	1.269	50	20	DDGD	
Cc1c(NNC(=O)CCc2ccc(O)nc2)cccc1C(=O)O	1600052635	OGXACHLMLXYDBJ-UHFFFAOYSA-N	315.329	1.870	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ccc(/C=C\C(=O)O)o2)n1	1601220905	ZOEYIBCQNQXGGZ-RQOWECAXSA-N	323.696	1.160	50	20	DDGD	
O=C(O)C[C@H]1CSCCN1CCI	1608704070	IVONAKQOBNGZRZ-ZETCQYMHSA-N	315.176	1.314	50	20	DDGD	
COC[C@H](C)C=NNC(=O)[C@H]1CCCO[C@H]1c1nccn1C	1549309518	IQVUHJUOEWUSQN-FRRDWIJNSA-N	308.382	1.272	50	20	DDGD	
O=C(O)[C@H]1CSCCN(S(=O)(=O)CCCCCl)C1	1610748156	DJOKQFWOANPEGJ-SECBINFHSA-N	315.844	1.085	50	20	DDGD	
CSSCCNC(=O)NC(C)(C)c1cc(C(=O)O)on1	1610386855	WRGBBPDDHRDPIL-UHFFFAOYSA-N	319.408	1.918	50	20	DDGD	
Cn1ccc(C=NNC(=O)[C@@H]2CCCO[C@@H]2c2nccn2C)c1	1549311988	VJZCPHOMMHZIIO-KGLIPLIRSA-N	315.377	1.377	50	20	DDGD	
CCn1cc([C@H]2OCC[C@@H]2C=NNC(=O)c2cnn(C)c2)cn1	1552449250	JCNUJJSWLZWMSN-RISCZKNCSA-N	316.365	1.130	50	20	DDGD	
CCCC[C@H](N)C(=O)NNC(=O)CSc1ccccc1O	1577410653	UHIVQFNDNSLHOJ-JTQLQIEISA-N	311.407	1.149	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)Cc1csc(CN)n1	1575871304	HUGCUBSDIWMJJV-UHFFFAOYSA-N	306.395	1.201	50	20	DDGD	
CC(C)c1noc(NC(=O)NNc2ncccc2C(=O)O)n1	1588980893	KSHSTRSQXJLOOS-UHFFFAOYSA-N	306.282	1.435	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(CC(=O)O)cc1)c1cnccn1	1589424557	WTPNVJFVASSRAB-JTQLQIEISA-N	300.318	1.351	50	20	DDGD	
O=C(NNc1ccc(-c2ccccc2)nn1)[C@@H](F)[C@@H]1CCNC1	1580737542	SSKHVCVZEAYOAB-DOMZBBRYSA-N	315.352	1.534	50	20	DDGD	
CC(=NNC(=O)c1ccc(N)cc1)c1ccc(-c2nn[nH]n2)cc1	1588776504	PQRVOMIGQMGESI-UHFFFAOYSA-N	321.344	1.603	50	20	DDGD	
N#C/C(=C\c1cccn1Cc1ccccc1-c1nn[nH]n1)C(N)=O	1592662739	VRMSRTBFQXMXNY-XYOKQWHBSA-N	319.328	1.109	50	20	DDGD	
O=C(NCCc1ccc(-c2nn[nH]n2)cc1)NNc1ccccc1	1593104946	JQCFWDWVTFDCPO-UHFFFAOYSA-N	323.360	1.736	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)cc1C	1592127924	BUTMYXMNYWCLTI-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
CNc1nc(C)cc(C(=O)NNc2cccc(C(=O)O)c2)n1	1598680878	DBNWXZLJOOKRCD-UHFFFAOYSA-N	301.306	1.282	50	20	DDGD	
CCCC[C@H](NNC(=O)[C@H](C)Oc1ccc(F)cc1)C(=O)O	1595640178	ADRQAPRNTNNNRX-GWCFXTLKSA-N	312.341	1.857	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1c[nH]c2ccc(C(=O)O)cc12	1594643199	RQZMLWXPZMUYCU-SKDRFNHKSA-N	315.329	1.741	50	20	DDGD	
N#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Cl)C2	1795856354	LIYOPIIIBKTDDP-WYFGTUCQSA-N	301.749	1.463	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2)c(C)c1	5542398	PYDXAKCSMUVYHB-UHFFFAOYSA-N	304.371	1.927	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)c1cc(C)n[nH]1)c1ccccc1	151183809	IKHHUYTZNJOFQM-CYBMUJFWSA-N	302.334	1.257	50	20	DDGD	
CC(C)CSCCCNC(=O)NNC(=O)c1cnn(C)c1	153228137	NMPKVXPVFVXMDW-UHFFFAOYSA-N	313.427	1.143	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)[nH]n1	153271210	ZMYJWOFXJLVKAS-UHFFFAOYSA-N	312.251	1.812	50	20	DDGD	
NC(=O)c1ccc(OCCC(=O)NNc2ccccc2F)cc1	153278620	OPIQBXZJZXTXJA-UHFFFAOYSA-N	317.320	1.837	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@H](C)CN2CCCCC2)nc1	157505788	ZVLQOIDAPGFWPO-ZDUSSCGKSA-N	321.425	1.838	50	20	DDGD	
CC[C@@H]1CCCCN1CCNC(=O)NNc1nc(C)cc(C)n1	113405688	CNEGVKTYRGKFAR-CQSZACIVSA-N	320.441	1.984	50	20	DDGD	
Cc1ccccc1[C@H](C)CC(=O)NNC(=O)C(=O)N1CCCC1	116184898	REIXGWSWYQDDDS-CYBMUJFWSA-N	317.389	1.258	50	20	DDGD	
O=C(CCCc1ccccn1)NNC(=O)CNc1ccccc1	104830040	URGWDKPGQFPFJN-UHFFFAOYSA-N	312.373	1.664	50	20	DDGD	
C=CCCC(=O)NNC(=O)c1nn(CC)c(=O)c2ccccc12	102322309	WDOUFSDFWXNQJJ-UHFFFAOYSA-N	314.345	1.144	50	20	DDGD	
Cc1cccc(NC(=O)NNC(=O)CNC(=O)c2ccco2)c1	101603275	JNVFQGRXBSKPBS-UHFFFAOYSA-N	316.317	1.171	50	20	DDGD	
C[C@H](OCc1ccccc1)C(=O)NNC(=O)Cc1cccnc1	103423451	NVKAOOAKWGOQRC-ZDUSSCGKSA-N	313.357	1.377	50	20	DDGD	
O=C(COc1ccc2ccc(=O)oc2c1)NNc1cnccn1	114877832	GVMTYNSWYDRCQD-UHFFFAOYSA-N	312.285	1.105	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCc1ccccn1	66975480	HKFQOBAIDBWEGC-UHFFFAOYSA-N	302.309	1.294	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCOC2)o1	171034842	PFHADYNVHPQKJQ-GFCCVEGCSA-N	323.393	1.309	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cc(-c2ccccc2)n[nH]1	21784489	QNKUQQHWIRFKGT-UHFFFAOYSA-N	314.345	1.264	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc([N+](=O)[O-])cc2)n1	174496736	MXMONFJXBMSFRX-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccc(Cl)o2)c1O	65112599	DCTVRSWKMMPSDF-UHFFFAOYSA-N	310.693	1.722	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2cccc3c2CCCC3)CC1=O	120026285	FOHLZOXHTXJRSE-CYBMUJFWSA-N	301.390	1.877	50	20	DDGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C)CCO)c1C	127987554	RTLNSEMJQXSHEU-LWLPBDFMSA-N	319.405	1.670	50	20	DDGD	
CN(C)C(=O)[C@@H]1CCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	188097907	IPSFUDVFVBJFGF-WVUXNXBLSA-N	313.357	1.378	50	20	DDGD	
O=C(Cc1n[nH]c2c1CCCC2)NNc1cccc([N+](=O)[O-])c1	189011722	AQEAXOZMYJCMAE-UHFFFAOYSA-N	315.333	1.883	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc(OC)c(F)c1C	181130696	LQMFMQURXJBJEH-MRVPVSSYSA-N	318.370	1.498	50	20	DDGD	
N#CC1(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CCC1	121139840	BDCDRKBXPSUJPN-UHFFFAOYSA-N	309.329	1.327	50	20	DDGD	
C=CCOC(=O)/C(C#N)=C\c1cc(OC)c(O)c([N+](=O)[O-])c1	213180053	BELWJSYRSKMGOG-YHYXMXQVSA-N	304.258	1.945	50	20	DDGD	
Cc1cccc2c1N(C(=O)C(=O)NNC(=O)C(C)(C)C)CC2	184496799	UCDYACKIIKOPDS-UHFFFAOYSA-N	303.362	1.078	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1cc(F)ccc1F	73302324	JQQZEVHSVOXSNW-UHFFFAOYSA-N	305.284	1.838	50	20	DDGD	
C=C[C@](C)(CCOC)C(=O)NNC(=O)COc1ccc(C)cc1	189553313	RARBSNLCKAXLOB-QGZVFWFLSA-N	320.389	1.750	50	20	DDGD	
C[C@@H](CCOc1ccccc1)C(=O)NNC(=O)[C@@H]1CCCO1	73017782	IWFVWDAXAQCAEE-JSGCOSHPSA-N	306.362	1.418	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2ccc(F)cn2)c1	184136574	MVEQKWYFTSJCQX-UHFFFAOYSA-N	303.293	1.369	50	20	DDGD	
CCc1ccc(C(=O)NNC(=S)NCC(F)(F)F)cc1	49519368	DFFCGTJZXXYWAA-UHFFFAOYSA-N	305.325	1.920	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1nc2c(s1)CCCC2	193288684	BVNVRLXRHAUZMC-QMMMGPOBSA-N	324.406	1.154	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Cc2ccc3c(c2)OCO3)n1	194400695	QEXMECNONJHMLL-UHFFFAOYSA-N	300.318	1.508	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCC(=O)Nc1cccc2cccnc12	195437053	FVWSVMNYDFGAPD-JLHYYAGUSA-N	324.340	1.733	50	20	DDGD	
COc1ccc(NNC(=O)NCC2(CN(C)C)CCCC2)nc1	192739316	OSHPHIYUHGYNPJ-UHFFFAOYSA-N	321.425	1.838	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1coc(C2CCC2)n1	194295748	SUPCFZDPHYGMJE-UHFFFAOYSA-N	300.318	1.341	50	20	DDGD	
CC(=O)NNC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2	192864969	DCALWCWTEPEPCW-ITSCGTHASA-N	315.211	1.888	50	20	DDGD	
Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NNC(=O)C(C)(C)C	81571733	KCYSHZQARIZFDO-UHFFFAOYSA-N	308.382	1.183	50	20	DDGD	
COc1cccc([C@@H](C)CC(=O)NNC(=O)c2cnn(C)c2)c1	84547659	HUZRNQGNYAQLNB-NSHDSACASA-N	316.361	1.384	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)Cc1cccc(OC(F)(F)F)c1	192913457	JLGSRYDZIBWOJE-UHFFFAOYSA-N	320.267	1.046	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc(OC(C)C)cc1	91014264	OLJVBRCCMHPGOY-NSHDSACASA-N	314.407	1.829	50	20	DDGD	
CCCNC(=O)c1cccc(C(=O)NNC(=O)OC(C)(C)C)c1	265893671	LBRQNFLCYZLHCG-UHFFFAOYSA-N	321.377	1.996	50	20	DDGD	
CC(=O)Nc1ccc(/C=C/C(=O)NNC(=O)C2CCC2)cc1	264806288	VAEJZBSUNPSLDD-JXMROGBWSA-N	301.346	1.606	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCc2nccn2C)cc(C#N)n1C	264361091	YTYDWDHPEVFQQF-AWNIVKPZSA-N	308.345	1.162	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1	269450905	CNVMIIGRCZMJKX-VAWYXSNFSA-N	323.393	1.946	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@H](C)N(C)C1CC1	264308615	PQVGRHDMTQUMCN-LBPRGKRZSA-N	304.394	1.422	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)NCC(F)F)cc1OC	267670958	FHWUHKQZLCUWCF-UHFFFAOYSA-N	317.292	1.303	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1C1CCCC1)c1ccccn1	269580122	FBAFQMVYMIPZHW-AWEZNQCLSA-N	302.378	1.250	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H]1CC[C@@H](CC)O1	268235747	MKVCOECFRKHLMH-UKRRQHHQSA-N	320.389	1.733	50	20	DDGD	
CCC(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)CC)c1	274075689	PHFMCRZTNDJQTP-JTQLQIEISA-N	319.361	1.411	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)C1SCCS1	362470592	PBCNEYRAMASSSY-UHFFFAOYSA-N	309.376	1.381	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1c[nH]c2cccc(F)c12	274418603	JXBVCZIHXADVFZ-UHFFFAOYSA-N	313.354	1.663	50	20	DDGD	
COC(=O)NNC(=O)c1[nH]nc(C2CC2)c1Br	274307487	SLXXUIWDRJOSFL-UHFFFAOYSA-N	303.116	1.050	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CC[C@H](OCC(C)C)C2)n1	279706438	RWTZQUYCRJGGHG-ZDUSSCGKSA-N	320.393	1.491	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@H]2CC[C@H](CC)O2)nc1C	272146482	FMOCDBHVQVFBJF-CMPLNLGQSA-N	322.365	1.362	50	20	DDGD	
CCCNC(=O)c1cccc(C(=O)NN(C)C(=O)NCC)c1	271444520	SQIHZCFXJNRASV-UHFFFAOYSA-N	306.366	1.133	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1cccc(C(=O)OC)c1	272806342	KDNBBHLSTOLAFE-LLVKDONJSA-N	310.350	1.358	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc(NCC3CC3)nc2)n1	278654665	OXOIGKDROVZHAO-UHFFFAOYSA-N	314.349	1.459	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2CCO[C@H](C(C)C)C2)n1	271552483	QVHGTZWSZNZKNR-NEPJUHHUSA-N	323.397	1.623	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)NOC1CCCC1	271634483	GCPKPOXODHWCAB-CYBMUJFWSA-N	321.333	1.031	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)CNS(=O)(=O)CBr	272850738	VJAORKQGOFLJPX-LURJTMIESA-N	311.201	1.667	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@@H]1[C@H]1CCCO1	285180093	AMBMPQNHYILPRF-ZIAGYGMSSA-N	318.377	1.008	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc2ccn(C)c(=O)c2c1	284931144	PWLVRCGEAADYJJ-SNVBAGLBSA-N	316.361	1.737	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)N2CCN(C)CC2)sc1C	287718377	FVUNNMGANYEULX-UHFFFAOYSA-N	324.450	1.611	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1C(=O)NNc1nc(O)c2cnn(C)c2n1	280289436	XBXQEXLLTOYJBO-ZJUUUORDSA-N	318.381	1.728	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@H]2CCCC(F)(F)C2)n1	283739425	DHVMASPBGUKUOZ-VIFPVBQESA-N	315.324	1.937	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2	286350168	MLMPGZDGKUJNKF-SSDOTTSWSA-N	309.347	1.462	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1	288497271	MEWKVZWRGBHJRA-UHFFFAOYSA-N	321.421	1.572	50	20	DDGD	
COCCN(C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12	288495914	TXTBZTFSFDBWPO-UHFFFAOYSA-N	306.322	1.228	50	20	DDGD	
CCCn1nc(C)c(C(=O)NNC(=O)[C@@H]2CCCCO2)c1C	295747449	OKIYIRSQYKWWPM-LBPRGKRZSA-N	308.382	1.240	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1nc(C)oc1C	292401442	XGYPNEOFHZAWCQ-UHFFFAOYSA-N	319.317	1.140	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cncs1	807261527	CAHKIELSUCPSOV-QMMMGPOBSA-N	309.322	1.511	50	20	DDGD	
O=C(NNc1ncncc1F)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2	293012739	LZLCNOMVUGYSDH-YUSALJHKSA-N	321.356	1.590	50	20	DDGD	
Cc1cccnc1CCCNC(=O)NNC(=O)[C@H]1CCCCO1	296656641	FWLIWFKJNBHLSE-CQSZACIVSA-N	320.393	1.222	50	20	DDGD	
COc1cc(C(=O)NNC(=O)N(C)C)ccc1OCC(C)C	299363147	JCUMSECWIQWRQV-UHFFFAOYSA-N	309.366	1.646	50	20	DDGD	
O=C(NNC(=O)[C@H]1CSc2ccccc21)[C@@H]1CCCCO1	295297282	DVVGWMJZZAKHNI-RYUDHWBXSA-N	306.387	1.592	50	20	DDGD	
CN(CC(=O)NNc1ncc(F)cc1F)C(=O)OC(C)(C)C	296897675	IYAKVKKQQAMQQE-UHFFFAOYSA-N	316.308	1.670	50	20	DDGD	
Cc1nnc(O)c(C(=O)NNC(=O)Nc2ccccc2)c1C	801993390	UFWJTGGJVNRCSQ-UHFFFAOYSA-N	301.306	1.266	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H](c1ccccc1)n1cccn1	299703178	RFHBQVKQFKMUHZ-CYBMUJFWSA-N	301.350	1.211	50	20	DDGD	
O=C(NNC(=O)c1snnc1C1CC1)c1ccccc1O	809984321	DUDFMZJODQAJIB-UHFFFAOYSA-N	304.331	1.196	50	20	DDGD	
COCCN(C)NC(=O)c1c[nH]nc1-c1ccccc1Cl	293767054	ZONYKAXZHGHHOY-UHFFFAOYSA-N	308.769	1.953	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCc2ncc[nH]2)cc1C	806273528	CNZRSLTZDZRART-UHFFFAOYSA-N	316.361	1.186	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H](O)c1ccc(Cl)cc1F	294101820	JGAQVENGVVKXLV-LBPRGKRZSA-N	300.717	1.460	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1ccnc2c1ncn2C	805163940	XTUOAKWOSICJKP-UHFFFAOYSA-N	324.344	1.743	50	20	DDGD	
Cc1ccc(SCC(=O)NN=Cc2cnn(C)c2N)cc1	814753347	KWQHASMYABUYJG-UHFFFAOYSA-N	303.391	1.553	50	20	DDGD	
O=C(NNc1ncncc1F)Nc1nc2c(s1)COCC2	814640554	KVRQJXKWUIEWBP-UHFFFAOYSA-N	310.314	1.294	50	20	DDGD	
CCN(CC)CCC(=O)NN=C(C)c1cc([N+](=O)[O-])ccc1N	814757766	QERHICVURVEXFN-UHFFFAOYSA-N	321.381	1.749	50	20	DDGD	
CC1(C)CN(C(=O)/C(C#N)=C/c2ccc(F)cc2)C[C@@H](CO)O1	817625427	LUFXYCYRAMVSHG-COSNYCCFSA-N	318.348	1.731	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2cccc(Cl)n2)n1	815725840	COFGLPIHDASEAV-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
Cn1cnc(C(=O)NNc2ccc(OC(F)(F)F)cc2)n1	810534911	BEGSHTMLOYDTML-UHFFFAOYSA-N	301.228	1.471	50	20	DDGD	
CO[C@@](C)(C=NNC(=O)Cc1cn2ccccc2n1)C1CC1	814864092	OWFQWXQGLOCRMT-INIZCTEOSA-N	300.362	1.794	50	20	DDGD	
Cc1ccc(OCCCC(=O)NNC(=O)c2ccnnc2)cc1	817692329	KUHNDNXVNSVULE-UHFFFAOYSA-N	314.345	1.405	50	20	DDGD	
COc1cc(NNC(=O)CCn2cnccc2=O)ccc1Cl	816524725	PCHRLLWUNXEARB-UHFFFAOYSA-N	322.752	1.439	50	20	DDGD	
CCCN(CC)C[C@@H](C)NC(=O)NNC(=O)CC(F)(F)F	812671112	QHGPNJZWLSKWPZ-SECBINFHSA-N	312.336	1.390	50	20	DDGD	
C[C@H](CBr)CN[C@H](C1CC1)[C@@]1(CO)CCCO1	815289815	CKRFLLIJWHVWGW-RTXFEEFZSA-N	306.244	1.927	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(COC)Cc1ccccc1	814865353	QIIFJTCXFISVJK-ZDUSSCGKSA-N	308.378	1.399	50	20	DDGD	
COc1ccnc(NNC(=O)C[C@]2(C)CC2(Cl)Cl)n1	822457027	GJXNINSGOIRLCW-SNVBAGLBSA-N	305.165	1.902	50	20	DDGD	
O=C(CCC[C@@H](O)c1ccccc1)NNC(=O)Cc1cc[nH]n1	826667102	MBNNHLRJEGMPCS-CQSZACIVSA-N	316.361	1.004	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cn1	491085619	RFCBNOIRHUOQKS-XSKCSMHKSA-N	314.389	1.647	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CCC1CCC1	495393354	OFCKXTWZCXDVNW-UHFFFAOYSA-N	313.398	1.629	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(OCC(F)(F)F)nc1	495626026	NPBOCWAUCXFAMZ-UHFFFAOYSA-N	307.228	1.366	50	20	DDGD	
CCS(=O)(=O)C1CN(C(=O)/C(C#N)=C/c2ccc(F)cc2)C1	491108399	XRNQMCIDPDAEFU-KPKJPENVSA-N	322.361	1.378	50	20	DDGD	
N#Cc1csc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1	826387789	QUFZMDMUCBDXPS-UHFFFAOYSA-N	311.330	1.557	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnc(C2CCCC2)nc1N	823755749	KXISWJAKZIBNJS-UHFFFAOYSA-N	320.397	1.461	50	20	DDGD	
NC(=O)c1ccc(CN(C2CC2)S(=O)(=O)CCl)cc1	829892608	GJGVXXDCEGTJRD-UHFFFAOYSA-N	302.783	1.276	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)c2ccc(-c3nn[nH]n3)nc2)c1	826264387	MNIFAPYFNKAGCU-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc2c(c1)nc(O)n2C1CC1	827216139	LFXZHEKGLJHLIC-UHFFFAOYSA-N	314.345	1.638	50	20	DDGD	
O=C(NNc1ccccc1)NC1CCN([C@H]2CCOC2)CC1	823126505	YLVQJHWFSBDVOM-HNNXBMFYSA-N	304.394	1.566	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc(-c3nn[nH]n3)s2)n1	822199159	YMJCLMNTNYXIDP-UHFFFAOYSA-N	316.350	1.092	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc2c(c1)OC(F)(F)O2	822781878	LJPZAOSOTKRCCD-UHFFFAOYSA-N	313.260	1.362	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)nc(O)n2C1CC1)NC1CC1	823768141	OWMWZLSTDMCJSL-UHFFFAOYSA-N	315.333	1.183	50	20	DDGD	
CCOc1cccc2[nH]cc(CC(=O)NN(CC)CCO)c12	823879768	SQRAZZMARISFJQ-UHFFFAOYSA-N	305.378	1.455	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)SCCNC(=O)OC(C)(C)C	901609932	ADWSEJUEFRYBGN-SECBINFHSA-N	319.427	1.190	50	20	DDGD	
COc1ccc(NNC(=O)c2cc3n(n2)CCCC3=O)nc1	907591194	XJJZLGVVHOQWMG-UHFFFAOYSA-N	301.306	1.020	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)c1ncon1)CCCO2	901289832	MPQULRQPJRCTDS-UHFFFAOYSA-N	302.290	1.385	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccc(-c3nn[nH]n3)cc2)nc1	737362079	MROUDHUCUDYURB-UHFFFAOYSA-N	324.348	1.396	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cccc(Oc2nccs2)c1	823953033	XCFUWDYPNDHJCL-SNVBAGLBSA-N	307.375	1.893	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21)c1ccccc1	906625422	PEEOFBKNMPQOKO-FPMFFAJLSA-N	300.358	1.337	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NC[C@@H](O)c2ccco2)cc(C#N)n1C	491013442	UJCQXVMRPDPEHU-IIEJUSTOSA-N	324.340	1.555	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)C[C@H]1CCCC(=O)N1	822731089	FFCSTRKXYNEKCR-SECBINFHSA-N	323.324	1.114	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2ccc(-c3nn[nH]n3)o2)c(O)c1	822226238	JFGNDQGRAHHXPK-UHFFFAOYSA-N	312.289	1.238	50	20	DDGD	
CC(C)[C@@H](NC(=O)O)C(=O)NNc1ncccc1C(F)(F)F	736376648	WOMHXSZQPGICSO-MRVPVSSYSA-N	320.271	1.836	50	20	DDGD	
O=C(Cc1cc(F)cc2c1OCOC2)NNc1cccnn1	736697941	PGLDUGKHWOASQV-UHFFFAOYSA-N	304.281	1.168	50	20	DDGD	
Cc1ccc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)cc1F	731486519	MZFDEUHDNNUMRJ-UHFFFAOYSA-N	324.319	1.874	50	20	DDGD	
C[C@@H]1Cc2cc(C=NNC(=O)C(=O)N3CCCC3)ccc2O1	901181661	BFUDJKAVUYBDEB-LLVKDONJSA-N	301.346	1.083	50	20	DDGD	
O=C(N[C@@H](c1cccs1)C1CC1)c1cc(B(O)O)ccc1F	584929292	QIIMFJHYVRVOBB-CQSZACIVSA-N	319.166	1.448	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCCC[C@@H]1c1ccco1	584952582	VHYMEHOWZINQEF-CQSZACIVSA-N	317.125	1.466	50	20	DDGD	
Cc1nn2c(C=NNC(=O)[C@@H]3CCCCO3)c(C)nc2s1	834987517	WWZGIMQZPBVACS-NSHDSACASA-N	307.379	1.427	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)Nc1nccs1	730818999	YSIGJQVVPLHMRX-UHFFFAOYSA-N	308.319	1.080	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@@H]2CCOC(C)(C)C2)n1	836673828	DMKPODFJWHOWQC-LLVKDONJSA-N	323.397	1.625	50	20	DDGD	
CSc1ccc(O[C@H](C)C(=O)N2CC[C@@H](B(O)O)C2)cc1	585065104	DGCBTDCTVJYUJY-GHMZBOCLSA-N	309.196	1.251	50	20	DDGD	
Cc1cc(F)ccc1-c1ccc(C(=O)NCB(O)O)cc1F	585059849	CWONBDPBDZPSMG-UHFFFAOYSA-N	305.089	1.682	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1C[C@@H]2CCCCCC[C@@H]21	584960266	OYFTYMQGYLVZSH-WFASDCNBSA-N	305.158	1.300	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H]2C[C@@]23CCCc2ccccc23)o1	585028276	IJTPWIUCSDVZIJ-KSSFIOAISA-N	311.190	1.343	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)o1)c1cccc(OC(F)F)c1	585015439	CIKRBDMNGWOIDZ-VIFPVBQESA-N	311.093	1.412	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@@H]1CSc2ccccc21	735586162	LFRHFLMIDQYYET-LLVKDONJSA-N	302.359	1.806	50	20	DDGD	
CC[C@@H](NCc1ccc(B(O)O)cc1)c1ccc(F)cc1F	585028127	HZSIBZCZPZBCIE-MRXNPFEDSA-N	305.133	1.886	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2cc(C(F)(F)F)ccn2)C1=O	832969450	ZLDVALBOLBVRDO-MRVPVSSYSA-N	302.256	1.022	50	20	DDGD	
C[C@H](CNCc1ccccc1B(O)O)c1ccc(F)c(F)c1	585027732	YZWHSJKLOJZVMM-LLVKDONJSA-N	305.133	1.538	50	20	DDGD	
Cc1ccc2cc(C(=O)NNC(=O)[C@@H]3CCCCO3)[nH]c2c1	833257620	XMBQKQUIZZOKOR-AWEZNQCLSA-N	301.346	1.806	50	20	DDGD	
C[C@H](CN1CCCCCC1)C(=O)NN=Cc1ccc(CO)o1	739413321	OLPIHKBHLCCFDY-CYBMUJFWSA-N	307.394	1.734	50	20	DDGD	
O=C(NN=C[C@@H]1CC=CCC1)C(=O)NN=C[C@@H]1CC=CCC1	916266430	UQXIGTNZDICMJB-ZIAGYGMSSA-N	302.378	1.903	50	20	DDGD	
CCS(=O)(=O)CC(C)=NNC(=O)c1ccc2ccccc2n1	733743459	SKFOJMSXDNWACY-UHFFFAOYSA-N	319.386	1.775	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cnn(-c2ccccc2)c1)n1cccn1	733106839	MQFWFRVXFWKPQU-GFCCVEGCSA-N	324.344	1.091	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CN2[C@@H](C)CC[C@@H]2C)ccc1F	837038244	OLRQPXCTLBUBKJ-QWRGUYRKSA-N	323.368	1.928	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)CCNC(N)=O)C1	912585384	TYJWXZZGBARNQQ-LLVKDONJSA-N	315.490	1.668	50	20	DDGD	
O=C(COc1ccc(F)cc1)NN=Cc1ccc(O)c(O)c1O	916331740	TYPMRMMQQYPYDB-UHFFFAOYSA-N	320.276	1.472	50	20	DDGD	
N#CSCCCNS(=O)(=O)c1cnc(Cl)c(F)c1	916992902	ZLZBMNSLIJJXGA-UHFFFAOYSA-N	309.775	1.757	50	20	DDGD	
CCC(C)(C)OCC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	838407723	GOXVPBRCXYLGGY-NSHDSACASA-N	316.398	1.317	50	20	DDGD	
CNC(=O)NNC(=O)c1ccccc1OCc1csc(C)n1	919879214	MSVVRWODPPBZDV-UHFFFAOYSA-N	320.374	1.604	50	20	DDGD	
CCOC(=O)[C@@H]1CN(C[C@@H](C)CBr)CC12COC2	830274802	TWLKNTZHBVPHBC-QWRGUYRKSA-N	320.227	1.529	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	911315219	KBFOYRBHFURKTO-MRVPVSSYSA-N	317.176	1.842	50	20	DDGD	
CC(C)CC(=O)N[C@@H](C(=O)NN(C)C[C@@H](C)O)c1ccccc1	910163390	BPQKDKBQLUGUSK-CZUORRHYSA-N	321.421	1.234	50	20	DDGD	
Cc1ccc(F)c(OCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	843655732	WGFIZCVUUWOELM-WDEREUQCSA-N	310.325	1.085	50	20	DDGD	
CCC(N)(CC)CNC(=O)NNC(=O)Cc1ccccc1C	841950707	BYAWYNWEZTXTCT-UHFFFAOYSA-N	306.410	1.385	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)Cn2cnc3ccccc32)c2ncnn21	841608515	BYQQSZNWPHSBFD-SNVBAGLBSA-N	309.333	1.113	50	20	DDGD	
COc1ccccc1CCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843649224	TXYNDPSHWFNEAC-DGCLKSJQSA-N	306.362	1.200	50	20	DDGD	
CCOC(=O)[C@@H]1CCCN(CC(=O)NNc2cccc(C)n2)C1	912982884	TVWVTSRSOZIUGJ-CYBMUJFWSA-N	320.393	1.108	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cn(CCCC#N)c2ccccc12	910154244	XVQVCUITJZAUIZ-CYBMUJFWSA-N	314.389	1.902	50	20	DDGD	
C[C@@]1(C(=O)Nc2csc(C(N)=O)c2)C[C@@H]1Br	913720170	BZABXFBNENLFQH-OIBJUYFYSA-N	303.181	1.959	50	20	DDGD	
Cc1cc(OCC(=O)NN(C)C[C@@H](C)O)cc(C)c1Cl	910160815	PKNDGZUXFDCJFF-LLVKDONJSA-N	300.786	1.679	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H](CN)CC(C)C)cccc1[N+](=O)[O-]	841954006	MUDCLDADHPLIQK-LLVKDONJSA-N	309.370	1.903	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCO[C@H]2C)c2c(c1)C[C@H](C)O2	842563155	WQCNQCJKXBZMST-ZIBATOQPSA-N	318.373	1.894	50	20	DDGD	
CC[S@](=O)c1ccccc1C(=O)NNC(=O)CC(F)(F)F	918366335	MWYYDYWRJPBSJA-NRFANRHFSA-N	322.308	1.528	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1=NO[C@H](c2ccccc2)C1	843642783	GXPVPNWHSNARHZ-JKOKRWQUSA-N	317.345	1.076	50	20	DDGD	
CCC(=O)Nc1cccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	843647942	VJNICIANXOAKOD-GXFFZTMASA-N	319.361	1.221	50	20	DDGD	
CCc1ccc(C=NNC(=O)[C@@H](C)CN2CCOCC2)cc1	916362454	KUYYQQBMKLNGFO-AWEZNQCLSA-N	303.406	1.667	50	20	DDGD	
COc1cc(CNC(=O)NNC(=O)CC(F)(F)F)ccc1C	919791415	QEMZPPVUVVBDJB-UHFFFAOYSA-N	319.283	1.786	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNc1ncccn1)C(=O)OC(C)(C)C	847430922	LPRZMPVIPSJQJL-NSHDSACASA-N	323.397	1.717	50	20	DDGD	
O=C(CCn1cccc1)NNC(=O)COc1ccc(F)cc1	746095779	BVDVEVGGBJJYMQ-UHFFFAOYSA-N	305.309	1.244	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H](C)OCC2CC2)cc1	846371401	CZBORJQQBXJFIZ-LLVKDONJSA-N	306.362	1.660	50	20	DDGD	
COc1ccc(C)cc1CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843647724	ZKVSVZAXYHHQIE-YPMHNXCESA-N	306.362	1.119	50	20	DDGD	
O=C(NN=C1CCOC[C@H]1CN1CCCCC1)c1ncccn1	841663953	BYDIYGFEWDVDQG-CYBMUJFWSA-N	317.393	1.085	50	20	DDGD	
CCn1ccc(CNC(=O)NNC(=O)Cc2ccccc2C)n1	840398155	CGCKPCLNIMJEHD-UHFFFAOYSA-N	315.377	1.285	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(C(=O)OC(C)(C)C)cn1	843882192	LPSIBNWXMSWYNJ-UHFFFAOYSA-N	309.322	1.380	50	20	DDGD	
CN(C)C1(CNC(=O)NC[C@]2(C)C[C@@H]2Br)CC1	922984317	ZFLHGJINBKDVRF-ONGXEEELSA-N	304.232	1.553	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](C)C(C)(C)CN(C)C	754356908	ZTESWQZJISBVDI-ZDUSSCGKSA-N	320.437	1.915	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NC[C@@]1(C)CCCO1)c1ccccc1	755157840	NXKAXENWKYXRQZ-QGZVFWFLSA-N	319.405	1.864	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)N[C@@H]2COC[C@H]2C)c1	925991786	PNTWQRPUVGTJHE-CHWSQXEVSA-N	321.377	1.048	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)COc1ccccc1F)C1CC1	920049983	RFYVARBEWKUNCM-SNVBAGLBSA-N	309.341	1.581	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)C(=O)Nc1ccn(C(C)C)n1	850585961	HJQRNUBFJDCPKF-UHFFFAOYSA-N	319.340	1.993	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)OCC(F)(F)F)c1C(F)F	856023667	RLYMCHXPBXGERB-UHFFFAOYSA-N	316.186	1.291	50	20	DDGD	
C[C@@H]1NCCN(C(=O)NC[C@]2(C)C[C@@H]2Br)[C@@H]1C	857105649	OWJWGYIFWXRKAV-WYFGTUCQSA-N	304.232	1.552	50	20	DDGD	
O=C(NN=Cc1cnc([C@@H]2CCCO2)s1)N1CCOCC1	755673629	QOVWXNUSHWUYMN-NSHDSACASA-N	310.379	1.370	50	20	DDGD	
O=C(NNC(=O)c1ccn(C2CCCC2)n1)OCC(F)(F)F	856021527	IVBGZKRPOAICDH-UHFFFAOYSA-N	320.271	1.932	50	20	DDGD	
O=C(NC[C@H]1COCO1)NNc1cc(C(F)(F)F)ccc1F	923848560	FSLOTVSZPQBNMU-QMMMGPOBSA-N	323.246	1.844	50	20	DDGD	
COC(=O)N(C)CCNC(=O)NNc1ccc(F)cc1Cl	923308069	ABROJZGJGZTPPD-UHFFFAOYSA-N	318.736	1.803	50	20	DDGD	
C[C@]1(CNC(=O)c2cnc3[nH]nnc3c2)C[C@H]1Br	857732523	ASIIFBPZOKZZCI-LDYMZIIASA-N	310.155	1.256	50	20	DDGD	
CCNC(=O)NNC(=O)COc1c(Cl)cccc1Cl	920858827	GNTHOTHKNKWTFD-UHFFFAOYSA-N	306.149	1.723	50	20	DDGD	
CCc1nocc1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	854224175	LIVIMSRHUCOLCW-VIFPVBQESA-N	321.308	1.605	50	20	DDGD	
O=C(NNC(=O)N1CCOC(C2CC2)(C2CC2)C1)C1CCCC1	852279009	JFAVDXMHZTUGSC-UHFFFAOYSA-N	321.421	1.808	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)c1cc(F)ccc1O	751058659	ILAOFIWALSGONI-UHFFFAOYSA-N	322.267	1.510	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)c1ccc(O)cc1	750945164	HWCASLMANYEIDX-UHFFFAOYSA-N	317.370	1.724	50	20	DDGD	
O=C(NNC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)OCC(F)(F)F	856025094	JGOBJMZRTYDLOB-JVHMLUBASA-N	322.283	1.702	50	20	DDGD	
CCCN1CC[C@@H](CNC(=O)NNc2ncc(Cl)cn2)C1	856826946	FJGIFWMNWJEDOT-JTQLQIEISA-N	312.805	1.488	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(OC(F)F)c(Cl)c1	755408709	ORHBYIQVVILGMU-UHFFFAOYSA-N	323.683	1.741	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NN=C[C@@H]1CCCOC1	853377147	HJMWFAOQTMIVKK-GZBFAFLISA-N	320.393	1.416	50	20	DDGD	
C[C@@]1(CNC(=O)N2CCC3(C2)OCCO3)C[C@@H]1Br	856955003	JVGCODFFTUHVRI-ONGXEEELSA-N	319.199	1.318	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1cnc2n1CCCCC2	857130089	PQPLUZKZBUUBCF-UHFFFAOYSA-N	306.757	1.810	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@@H](CO)Cc1ccc(F)cc1	753340406	VEPKALWMZQPFHF-CQSZACIVSA-N	323.368	1.250	50	20	DDGD	
Cc1ncc(C=NNC(=O)CCCNC(=O)C(C)(C)C)s1	853409340	VHHCAXCNYTUODU-UHFFFAOYSA-N	310.423	1.844	50	20	DDGD	
CN(C[C@H]1COCCO1)/C(=C/C#N)c1cccc([N+](=O)[O-])c1	852496975	UMHATVZIVPIKEH-YZWGYMLPSA-N	303.318	1.806	50	20	DDGD	
Cn1nc(C(=O)NNc2ncc(F)cc2F)cc1OC(F)F	857532956	BCXVXCHWHOHURE-UHFFFAOYSA-N	319.218	1.452	50	20	DDGD	
C[C@H]1CCCN(CCNC(=O)NNc2ncc(Cl)cn2)C1	856838112	SEVNGWSGKZTHKV-JTQLQIEISA-N	312.805	1.488	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)Cc2ccccc2F)c[nH]1	753166037	WCZNQAITMBHKRN-UHFFFAOYSA-N	303.293	1.633	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cn2cnc3ccccc32)nc1	753278743	MVKIKOWSQGWGAG-UHFFFAOYSA-N	309.329	1.201	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccnc(OC(C)C)c1	930990079	JCOOMYZZRXWOFP-UHFFFAOYSA-N	304.350	1.825	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C1CC(c2ccc(Cl)cc2)C1	863186653	GXTYIHOJGQKYPF-UHFFFAOYSA-N	314.794	1.734	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H]2CCN2C(C)(C)C)cc1	862993470	OBONWYUXKWICGV-CQSZACIVSA-N	303.406	1.883	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cc(OC(F)F)n(C)n1	767046921	LIXMDOHCZBMJDQ-UHFFFAOYSA-N	324.287	1.405	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](O)[C@@H](C)c2ccccc2F)o1	866435647	CSFRLHJFEWYNQW-HZMBPMFUSA-N	320.320	1.653	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)COc2cccc(C)c2)c1C	864458631	PHXMUCAJZHQFHV-UHFFFAOYSA-N	316.361	1.360	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccnn1CC1CCC1	868028278	UKBWXVMYTVVCCD-UHFFFAOYSA-N	319.287	1.190	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)OCC(=O)NCC1CC1	766749871	FXAOFENPLFFWQO-JTQLQIEISA-N	306.200	1.865	50	20	DDGD	
C[C@H](NNC(=O)c1ccc2c(c1)N(C)CCO2)C(F)(F)F	862317876	MNVANJXGGWQDNJ-QMMMGPOBSA-N	303.284	1.700	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCC(F)(F)C2)c1	763607925	JGPIHANXCGCNJF-LLVKDONJSA-N	308.288	1.690	50	20	DDGD	
CC(=O)Nc1nc(C(=O)NNc2nc3ccccc3[nH]2)cs1	768505406	SFLHXEXLUSHVRY-UHFFFAOYSA-N	316.346	1.735	50	20	DDGD	
CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)C2CC2)c(F)c1	763563153	PPUMUSBKFHONOT-UHFFFAOYSA-N	323.324	1.109	50	20	DDGD	
Cc1cc(NNC(=O)c2c(-c3ccncc3)noc2C)ncn1	768063613	KTIOYSPHDAOHGO-UHFFFAOYSA-N	310.317	1.900	50	20	DDGD	
CSSCCNC(=O)[C@@H]1COc2ccc(O)cc2O1	868138365	JPXRAUHXUQRENR-NSHDSACASA-N	301.389	1.659	50	20	DDGD	
Cn1cnc(CNC(=O)NNc2cc(Cl)ccc2Cl)n1	768992892	QXXRFMAQZZCKGH-UHFFFAOYSA-N	315.164	1.948	50	20	DDGD	
Cc1cc(=NNC(=O)/C=C/CN(C)CC(F)(F)F)cc[nH]1	862513406	FCOCXPJUWOIFMH-ONEGZZNKSA-N	302.300	1.305	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)N[C@H]3CCC(C)(C)C3)nc21	769024600	YKPXPZFJVNCNCI-QMMMGPOBSA-N	319.369	1.274	50	20	DDGD	
CCCc1c(NC(=O)NNC(C)=O)cnn1-c1ccccc1	765267794	YMTCLYGZOQJFMG-UHFFFAOYSA-N	301.350	1.997	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cc(N2CCCC2=O)ccc1F	878370434	VPZSGEUNCQXSLE-UHFFFAOYSA-N	324.312	1.687	50	20	DDGD	
CNS(=O)(=O)[C@@H]1CCCN(C[C@@H](C)CBr)C1	770665698	GLQHXWRXZCHMQX-VHSXEESVSA-N	313.261	1.031	50	20	DDGD	
CC[C@H](C)[C@@H](NC(=O)NNC(=O)c1cnccn1)C(F)(F)F	772539183	WXAWVTRMZPLAHG-IONNQARKSA-N	319.287	1.398	50	20	DDGD	
O=C(NNc1ccc(Br)nc1)[C@@H]1CCCCO1	772454983	RPVKMMKCPFVVMQ-VIFPVBQESA-N	300.156	1.856	50	20	DDGD	
O=C(CO)NN=Cc1cn(-c2ccccc2)nc1-c1ccncc1	776779338	HQXSQISVYHBDAC-UHFFFAOYSA-N	321.340	1.377	50	20	DDGD	
COC(=O)[C@H](COC(C)C)N(C)C[C@@H](C)CBr	770657103	NWRWRIIDKQSPDH-QWRGUYRKSA-N	310.232	1.916	50	20	DDGD	
CCNC(=O)NNC(=O)CCCCC(=O)c1ccc(F)cc1	777778385	PFBSXDOJVZIKTE-UHFFFAOYSA-N	309.341	1.919	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H](N2)[C@H]1C	877182527	NCAHPMNCXNBAFK-ICGCDAGXSA-N	324.856	1.998	50	20	DDGD	
N#CSCCCNC(=O)COc1ccc2ccc(=O)oc2c1	773586528	OMROPCJMWLWNKM-UHFFFAOYSA-N	318.354	1.892	50	20	DDGD	
C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)CCl)CC2)C1	1116437633	LBCSXGWSDJIETF-OLZOCXBDSA-N	315.845	1.064	50	20	DDGD	
Cn1cc(CCC(=O)NNc2ccc(F)c([N+](=O)[O-])c2)cn1	771595241	LCCBJVFXELFKNK-UHFFFAOYSA-N	307.285	1.543	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	770732656	FNYRANAAGOJCJL-BXUZGUMPSA-N	314.345	1.058	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(C)c(N2CCNC2=O)c1	775740951	PHXCBRSUNXNOOI-ZRDIBKRKSA-N	314.345	1.907	50	20	DDGD	
CCOc1cccc([C@H]2C[C@H]2NC(=O)NNC(=O)C(C)C)c1	775774403	PWTHWKPBIUIOQM-ZIAGYGMSSA-N	305.378	1.928	50	20	DDGD	
CC(=O)N(CC(=O)NN[C@H](C)C(F)(F)F)c1ccccc1	880166215	BBXXJXCPMVCMFE-SECBINFHSA-N	303.284	1.611	50	20	DDGD	
C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)NNC(=O)c1cccnn1	883852634	RTFHASPPVPSSGJ-YUMQZZPRSA-N	317.271	1.104	50	20	DDGD	
O=C(NCc1cn(/C=C\CBr)nn1)C(F)(F)F	881295144	LWNDRWCIUXSKDA-IWQZZHSRSA-N	313.077	1.322	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C1CCC(OCCOC)CC1	887148044	LTMWCWLTUJCBFD-UHFFFAOYSA-N	310.394	1.159	50	20	DDGD	
Cc1ccc2cccc(C(=O)NNC(=O)C3CCOCC3)c2n1	883063957	JAHSNUBWNAYSMQ-UHFFFAOYSA-N	313.357	1.731	50	20	DDGD	
C[C@H]1CN(C(=O)C2CCC(Cl)CC2)C[C@H](C)S1(=O)=O	1123786503	GFABOYAMBWMHOA-JYBOHDQNSA-N	307.843	1.818	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1ccc(F)cc1[N+](=O)[O-]	783820138	DBONPZVMEVKNBO-UHFFFAOYSA-N	319.296	1.848	50	20	DDGD	
COc1cc(C(C)=NNC(=O)Cc2csc(C)n2)ccn1	782151971	LOYJRXIEQBEEDC-UHFFFAOYSA-N	304.375	1.938	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(C(C)(C)C)cc1)N1C(=O)CCC1=O	781041486	NWEYAGVVKNSABO-NSHDSACASA-N	317.389	1.965	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)CC1	781941228	OUGXIZZTZWIYFN-UHFFFAOYSA-N	320.437	1.191	50	20	DDGD	
COc1ccc2c(c1)CC[C@@H](C(=O)NNc1ncncc1F)C2	880100931	VZCOEDFMSKJSLA-GFCCVEGCSA-N	316.336	1.873	50	20	DDGD	
CCn1cc(CC(=O)NNC(=O)c2ccc3ccccc3n2)cn1	780137311	LELMWJFRHBLJDR-UHFFFAOYSA-N	323.356	1.455	50	20	DDGD	
CCSCCC=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1	781121800	MMEPMOMMSBALDX-RDBSUJKOSA-N	315.483	1.977	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccco1)c1ccc2ccccc2n1	783527188	YIVFZVBTVUZMCY-UHFFFAOYSA-N	317.326	1.451	50	20	DDGD	
CN(C)c1cccc(CCC(=O)NNC(=O)c2ccccn2)c1	788618652	CQLCMOIKWRDKIH-UHFFFAOYSA-N	312.373	1.541	50	20	DDGD	
CC(=NNC(=O)c1nn(-c2ccccc2)cc1O)[C@@H]1CCCO1	783811940	ZXSOVFXDZIMSGE-AWEZNQCLSA-N	314.345	1.863	50	20	DDGD	
C[C@]1(CNS(=O)(=O)CBr)CCCC[C@H]1O	782467845	GXONIPKWQOLBAX-RKDXNWHRSA-N	300.218	1.199	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C(F)(F)C1(O)CCCC1	899995841	HHECUZIAIKUBAA-UHFFFAOYSA-N	309.382	1.221	50	20	DDGD	
Cn1nnnc1CNC(=O)CCCC[C@@H]1CCSS1	788602651	QHLVQGQVGCCPGL-SECBINFHSA-N	301.441	1.540	50	20	DDGD	
Cn1ccc(NC(=O)C(=O)NNc2ccc(C#N)c(Cl)c2)n1	785095242	RBWXQWHBTZWYEE-UHFFFAOYSA-N	318.724	1.027	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ncc2ccccc2c1O	899998147	FXZMFNDCKPKOEZ-UHFFFAOYSA-N	318.402	1.848	50	20	DDGD	
COC(=O)c1cccc(/C=C(/C#N)C(=O)[C@@H]2CCCOC2)n1	899370807	BGCMZIOQTLMMAW-HQQGHWSLSA-N	300.314	1.771	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1ccc(OCC(F)(F)F)cc1	785463229	SRGQFPYYGSCJFB-UHFFFAOYSA-N	304.268	1.849	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cccc(O)c2O)nc1	790906065	SQBYXRACOYAQAL-UHFFFAOYSA-N	303.274	1.036	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CC[C@@H](CC(=O)OC)[C@@H]1C	794519880	PCVYAIRNTNGEIF-TUAOUCFPSA-N	314.382	1.119	50	20	DDGD	
CCC[C@@H](C)N1C[C@@H](C(=O)NNc2ccc(C#N)cn2)CC1=O	899664111	QWFFYCLSLWALQZ-YPMHNXCESA-N	315.377	1.433	50	20	DDGD	
Cc1cc(OCC(=O)NNc2ccnc(F)c2)ccc1[N+](=O)[O-]	797750666	GQBFYGSYZHYKAI-UHFFFAOYSA-N	320.280	1.959	50	20	DDGD	
C=C(CBr)CN1CCN(CC(C)(C)O)C[C@H]1C	791533550	SLMZNSKMZPLCFA-GFCCVEGCSA-N	305.260	1.715	50	20	DDGD	
Cc1cccnc1NNC(=O)Cc1ccn(CC(F)(F)F)n1	898651752	PMMGLEOYZBPLQV-UHFFFAOYSA-N	313.283	1.835	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)CCc1ccc(OC)cc1	795028684	XQXTUXVWXLYOAR-LRDDRELGSA-N	322.405	1.836	50	20	DDGD	
CO[C@H]1CCC[C@@H](CC(=O)NNc2ccnc(N(C)C)n2)C1	795119942	LAENMDVVNAZIGY-NEPJUHHUSA-N	307.398	1.581	50	20	DDGD	
COc1cc(NNC(=O)c2coc(C(N)=O)c2)ccc1Cl	790179941	CULBGKDFQHVILI-UHFFFAOYSA-N	309.709	1.797	50	20	DDGD	
CCc1ccc2occ(C(=O)NNC(=O)Cc3cc[nH]n3)c2c1	796211325	ZHGNHKWOEYUPLO-UHFFFAOYSA-N	312.329	1.722	50	20	DDGD	
O=C(NNC(=O)c1cncn1-c1ccccc1)c1ccnc(O)c1	1319119668	WRGUFWVJLZWROO-UHFFFAOYSA-N	323.312	1.048	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C23CCCN2CCC3)c1F	1326722312	OTMXEWWSGYDIOT-UHFFFAOYSA-N	321.352	1.684	50	20	DDGD	
CNC[C@@H](C)CNC(=O)NNC(=O)c1cc2ccccc2o1	1325365206	CGVNFAXSXMFFHR-SNVBAGLBSA-N	304.350	1.232	50	20	DDGD	
CC(C)C[C@@H](C(=O)NNc1ccn(C)n1)N1CCCCC1=O	1324864666	OPSRJIOWJHSPCS-LBPRGKRZSA-N	307.398	1.290	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1ccc(-c2cnn(C)c2)cc1	1328379176	OXDQCXBAGRBOSA-MLGOLLRUSA-N	312.373	1.962	50	20	DDGD	
O=C(CO[C@H]1CCOC1)NNc1ccc(Br)nc1	1330804754	AUZRVLULYGMIOY-VIFPVBQESA-N	316.155	1.093	50	20	DDGD	
C[C@H](CNC(=O)C(=O)NC[C@]1(C)C[C@H]1Br)C1CC1	1347941304	PHSRXRGDMGSOLG-JQEORGNBSA-N	317.227	1.438	50	20	DDGD	
COC12CCC(C(=O)NNC(=O)OC(C)(C)C)(CC1)C(=O)C2	1346221956	SCENUIJBRNPEKT-UHFFFAOYSA-N	312.366	1.461	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)CN1C(=O)CCC1=O	1263790706	YKWDJEIUBLSUDA-UHFFFAOYSA-N	303.362	1.711	50	20	DDGD	
COc1nccc(C(=O)OC[C@]2(C)C[C@H]2Br)n1	1345267417	WYLSKIISVDUHIW-KCJUWKMLSA-N	301.140	1.816	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc2c(cc1Cl)NC(=O)C2	1355148042	ZTCYZJAYJLMAKR-UHFFFAOYSA-N	319.748	1.399	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)c1ccc([N+](=O)[O-])o1	1601556817	LDELGXCXTWBLAX-UHFFFAOYSA-N	309.209	1.782	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccc3nc[nH]c3c2F)nc1	1602382798	CTOKHPJVTROARH-UHFFFAOYSA-N	315.264	1.552	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1ccc(OC(F)(F)F)cc1	1602072245	YBEWJKKDAZTAJE-UHFFFAOYSA-N	305.212	1.303	50	20	DDGD	
Cc1c(NNC(=O)CCCNC(=O)C2CC2)cccc1C(=O)O	1600052404	KHXMPRJNLPOIRU-UHFFFAOYSA-N	319.361	1.443	50	20	DDGD	
O=C(O)C(=O)NN=C1CCCc2ncc(Br)cc21	1601638393	WVBVEAYTDWEIJP-UHFFFAOYSA-N	312.123	1.085	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cccnc2)ccc1C(=O)O	1600270911	RWXWPBOVFIVSMI-UHFFFAOYSA-N	314.301	1.555	50	20	DDGD	
O=C(O)COc1cccc(NC(=O)NNc2ccccn2)c1	1608764917	YAEBPDIWUFGIRF-UHFFFAOYSA-N	302.290	1.694	50	20	DDGD	
Cc1nccn1CCNC(=O)NNc1ccc(C(=O)O)cc1F	1607989777	UQVVGGDHCNCBTO-UHFFFAOYSA-N	321.312	1.355	50	20	DDGD	
O=C(NN=C1C[C@H]2C[C@@H](C(=O)O)[C@H]1C2)c1cccc([N+](=O)[O-])c1	1610699273	PUUUOQNGSYGVFW-GGZOMVNGSA-N	317.301	1.811	50	20	DDGD	
CC[C@@H]1COCC1=NNC(=O)[C@H]1CCCO[C@H]1c1ccnn1C	1549312117	ALINYRYDUFPQDR-TYNCELHUSA-N	320.393	1.416	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)cn1)[C@H]1CN2CCC[C@H]2CO1	1550194171	RQWUXPQLEYKGHV-QWHCGFSZSA-N	308.769	1.048	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CC[C@H](N)CC1	1576296039	XNKGZTIQHRJESH-SRVKXCTJSA-N	323.368	1.258	50	20	DDGD	
C[C@@]1(C(=O)NC[C@@H]2C[C@@H]3CC[C@H](C2)N3)C[C@H]1Br	1576342220	RHZKUGYCKBBDHN-UYNYGYNWSA-N	301.228	1.807	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1nccc([C@@H]2CCNC2)n1	1575232062	UUDKBCQFCQAUQW-SECBINFHSA-N	322.369	1.115	50	20	DDGD	
NCCc1ccccc1C(=O)NNc1ccc([N+](=O)[O-])cc1	1580316228	BBVSQWBXQVWIQW-UHFFFAOYSA-N	300.318	1.853	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1cccc(CC(=O)O)n1	1589740896	PEGHXTCDOHYYGA-UHFFFAOYSA-N	308.338	1.298	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CC[C@@H]1C[C@H](C(=O)O)CO1	1592038841	AMRVKXBYRKATJK-WDEREUQCSA-N	322.365	1.313	50	20	DDGD	
C[C@@H]1COCC[C@@H]1NC(=O)NNc1ccc(C(=O)O)c(F)c1	1594602583	FKVRRQGLBYBVFD-PELKAZGASA-N	311.313	1.575	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2ccc(C(=O)O)cc2F)c1[N+](=O)[O-]	1599967125	DLRCAMXQFWCVRF-UHFFFAOYSA-N	323.240	1.221	50	20	DDGD	
CC[C@@](C)(CNC(=O)NNc1ccc(CC(=O)O)cc1)OC	1594835853	XUWJQLCAPVCILM-HNNXBMFYSA-N	309.366	1.755	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)OCC(=O)CCC(=O)O)c1	1599664358	KMLIHTTWXUNZJU-GHXNOFRVSA-N	317.297	1.579	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](C(=O)O)C2CC2)cc1F	1593883256	VRTOAJFRMNXMSZ-LLVKDONJSA-N	310.281	1.166	50	20	DDGD	
CC1(C)OC[C@@H]2C[C@@]21C(=O)NNc1ccc(CC(=O)O)cc1	1593976535	ILOSGBGLRVSULL-ZBEGNZNMSA-N	304.346	1.572	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1	1595758652	FSIAALMEZJXHER-UHFFFAOYSA-N	324.293	1.037	50	20	DDGD	
O=C(CO)NN=Cc1ccc(-c2cccc(C(=O)O)c2)s1	1776052773	PZLCMZDIFBVYOZ-UHFFFAOYSA-N	304.327	1.556	50	20	DDGD	
O=C(O)/C=C/c1ccc(C=NNC(=O)OCC(F)(F)F)o1	1776097268	VLGCCQZETDBZFI-NUFGLWGVSA-N	306.196	2.000	50	20	DDGD	
CO/C=C(\C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl	1796808062	YKTQDPGBCYMVMI-ZKSOADNESA-N	318.776	1.709	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cn1	16202013	SDLYHHPCMHHEFX-UHFFFAOYSA-N	316.273	1.073	50	20	DDGD	
Cn1cc(CC(=O)NNc2ccccc2Br)cn1	153623429	ZEWYKDMEKQKBLC-UHFFFAOYSA-N	309.167	1.868	50	20	DDGD	
CCSc1cc(C(=O)NNc2ncnc3nc[nH]c23)ccn1	156262040	WROYWBNAMLOBOC-UHFFFAOYSA-N	315.362	1.617	50	20	DDGD	
CN(C)CCN(Cc1ccco1)S(=O)(=O)CCCCCl	154643520	ZPTHVXHPFYPIKA-UHFFFAOYSA-N	322.858	1.992	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)COc2ccccc2C)n1	8292397	UFFGAINBMCKXIU-UHFFFAOYSA-N	316.361	1.035	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1cc(Cl)ccc1Cl	106416720	NDXPJDFJFRNEPQ-UHFFFAOYSA-N	313.144	1.720	50	20	DDGD	
C[C@H](NC(=O)C1CCCC1)C(=O)NNC(=O)c1ccccc1	59288748	VZRLATMDYRSSAN-NSHDSACASA-N	303.362	1.143	50	20	DDGD	
C=CCNC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	173926583	DEVUVWXAPAMDPW-UHFFFAOYSA-N	300.265	1.810	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1Cl	109859638	DANXMKAYNYFTEF-UHFFFAOYSA-N	323.696	1.355	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NNc1ccc(C(N)=O)nn1	119455518	VDLXNZISLILXQE-DTWKUNHWSA-N	317.374	1.192	50	20	DDGD	
CCCC(=O)N1CSC[C@H]1C(=O)NNc1ccc(F)cc1	66606828	HXNYMGYJFSHENP-LBPRGKRZSA-N	311.382	1.970	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCc1csc(C(C)C)n1	66702949	DIWZPIPKAGOTTR-UHFFFAOYSA-N	314.411	1.176	50	20	DDGD	
CC(C)OCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	63667188	BHOQAZOFKSXWSV-UHFFFAOYSA-N	302.334	1.263	50	20	DDGD	
CCCN(CC)CCNC(=O)NNC(=O)c1ccc(C#N)cc1	175783188	NGJUYDZXTFMLNY-UHFFFAOYSA-N	317.393	1.234	50	20	DDGD	
COCC[C@@H](C)NC(=O)NNC(=O)CCCc1ccccc1	69308860	VTYFDAFJDVBKTG-CYBMUJFWSA-N	307.394	1.765	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1cc(-n2cccn2)ccn1	127702681	UATZCKBJAVFNHQ-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1ccc(NC2CC2)nc1	67287016	HTRMPRXBUMVGTK-UHFFFAOYSA-N	312.329	1.436	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C	65885652	FIKPBARCNYGBEH-UHFFFAOYSA-N	316.361	1.677	50	20	DDGD	
CCOc1cccc(NC(=O)NNC(=O)c2cc(C)n[nH]2)c1	184463922	XIZTUNFZQNAIPI-UHFFFAOYSA-N	303.322	1.583	50	20	DDGD	
CNc1cc(C(=O)NNC(=O)c2ccccc2O)cc(Cl)n1	78595652	KUQCFONGYUNLPS-UHFFFAOYSA-N	320.736	1.557	50	20	DDGD	
N#Cc1cccc(NC(=O)C(=O)NNC(=O)CC2CCCC2)c1	125829169	QGQKGILIRQPPIP-UHFFFAOYSA-N	314.345	1.224	50	20	DDGD	
CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=O)CO)cc2C1	180955682	FABYEUIVARIZME-JTQLQIEISA-N	310.419	1.652	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cccc3c2CCCN3)n1	129471972	GSQOUKFNLPZUAO-UHFFFAOYSA-N	313.361	1.909	50	20	DDGD	
Cc1nc2ccc(NC(=O)NNC(=O)c3cccn3C)cc2o1	183535078	JSPZBZJRGVXJDA-UHFFFAOYSA-N	313.317	1.941	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(OCc2ccncc2)cc1	139191509	LSKSMVULDXMFDX-UHFFFAOYSA-N	314.345	1.625	50	20	DDGD	
N#C/C(=C/c1ccc2c(c1)OCCO2)S(=O)(=O)NC1CC1	195308562	VMSHAKUKFAQTIO-GHXNOFRVSA-N	306.343	1.404	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2ccc(C(F)(F)F)cn2)CC1=O	131960729	DAFXEYDOENCRSP-MRVPVSSYSA-N	316.283	1.412	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCCNC(C)=O)c1C	49957849	KCZLPMLKSZHNSW-MHWRWJLKSA-N	316.405	1.674	50	20	DDGD	
O=C(Cn1cc(C2CC2)nn1)NNc1ncnc2ccsc12	132535081	BCDBUKXWFCULAU-UHFFFAOYSA-N	315.362	1.304	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNC(=O)CCc2ccccc2)C1	131454803	WCNGIOZRILXSKR-AWEZNQCLSA-N	317.389	1.025	50	20	DDGD	
O=C(NNC(=O)c1cc(F)cc2[nH]cnc12)NC1CCCCC1	194727167	VCAOGYWNVSXWIM-UHFFFAOYSA-N	319.340	1.979	50	20	DDGD	
C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NNC(=O)C(C)(C)O	192922664	SCUDQWOPKKQXHZ-LLVKDONJSA-N	322.405	1.670	50	20	DDGD	
CC(C)=CCNC(=O)NNC(=O)COc1cc(C)ccc1C	190584598	LSMIFFUZOVHUTN-UHFFFAOYSA-N	305.378	1.979	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(Br)cc1F	194928006	ANXCCMNWSWZCGJ-UHFFFAOYSA-N	304.119	1.504	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)C#N)c1C	195443697	XYHLVFYNUFJJBO-UXYFDLPDSA-N	300.362	1.687	50	20	DDGD	
CCn1cc(NC(=O)NNC(=O)c2ccccc2O)ccc1=O	146481859	UFEBOZQULPXDCU-UHFFFAOYSA-N	316.317	1.040	50	20	DDGD	
COc1ncc(C)cc1NC(=O)NNc1ccc(Cl)nn1	92927589	GOJCHMALEMXRJW-UHFFFAOYSA-N	308.729	1.991	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C1=Cc2cc(F)ccc2OC1	90559894	KVEHZSQMMYNFPE-UHFFFAOYSA-N	316.292	1.094	50	20	DDGD	
CCN1CCN(C(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)CC1	255385438	ZOAWYEQBQNYBKY-OQLLNIDSSA-N	311.389	1.276	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2c[nH]c(C)n2)cc1	264846857	MFWIGCGGDWVBKQ-UHFFFAOYSA-N	302.334	1.121	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C1CCC1)c1cccc([N+](=O)[O-])c1	264745493	PZWWGMYAQKLRDV-VIFPVBQESA-N	306.322	1.786	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)CC(C)(C)C	263816545	VZZQVHTXLMKWNO-UHFFFAOYSA-N	322.365	1.334	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)CCOc1ccc(F)cc1	266049753	RKJKSHARXSOZQB-SNVBAGLBSA-N	318.370	1.201	50	20	DDGD	
COc1ccc(CNC(=O)NNc2ccc(C)nn2)cc1OC	264424958	XUSFURKSPGMVAP-UHFFFAOYSA-N	317.349	1.629	50	20	DDGD	
O=C(NNS(=O)(=O)N1CCCCC1)c1cc2ccccc2o1	267430627	MPTNZOPKXUYXMO-UHFFFAOYSA-N	323.374	1.398	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)CNc2ccc(OC)cc2)O1	268280307	VPXCIMWEUBWZOW-GXTWGEPZSA-N	321.377	1.212	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)[C@@H](c2ccccc2)C2CC2)CC1	278517040	BPTDHGWISHMWAI-HNNXBMFYSA-N	316.405	1.168	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@H]1CCCN1C1CC1	279005974	KZSPHBHEMDXOMF-CQSZACIVSA-N	305.353	1.142	50	20	DDGD	
CCCCOc1ccc(NC(=O)C(=O)NNC(C)=O)c(C)c1	274051616	LHFHTOPGZKOOFW-UHFFFAOYSA-N	307.350	1.280	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1cccc(C(=O)OC)c1	272786985	GVRLWQDGAVPWRA-UHFFFAOYSA-N	309.322	1.053	50	20	DDGD	
CC(C)[C@H]1C[C@@H](NC(=O)NNC(=O)Cc2ccncc2)CCO1	271585038	VZBKVZKFZTZGSH-UONOGXRCSA-N	320.393	1.158	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc(SC2CCCC2)cc1	274046169	KDMGQOXALOBYAD-UHFFFAOYSA-N	321.402	1.827	50	20	DDGD	
O=S(=O)(CBr)NC[C@H]1[C@H]2c3ccccc3C[C@H]21	272806039	MCSXPGFNTLVQBR-TUAOUCFPSA-N	316.220	1.844	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H](C(=O)NNC(=O)c2ccccn2)C1(C)C	275552438	VEFIXTADIBEONO-GHMZBOCLSA-N	303.362	1.484	50	20	DDGD	
COc1nccnc1NNC(=O)c1csc(NC2CC2)n1	274107786	QFGOQQQELKFHPV-UHFFFAOYSA-N	306.351	1.273	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)C1SCCS1	270485092	JUNSKKZHNHPVIS-UHFFFAOYSA-N	310.444	1.963	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc(-c2ncn(C)n2)cc1	272463161	LUTFUUNALKLLLV-UHFFFAOYSA-N	301.350	1.289	50	20	DDGD	
CN(NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C(N)=O	271244816	CMGPHUDXZBPXAP-UHFFFAOYSA-N	308.338	1.689	50	20	DDGD	
C=C(CBr)CN1CC[C@H](OC)C[C@H]1C(=O)OC	377068082	PWBYOYSPPRULFV-QWRGUYRKSA-N	306.200	1.590	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cccc(-c3nc[nH]n3)c2)n1	372398852	WITAYQXQXMGMJB-UHFFFAOYSA-N	324.348	1.085	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2n[nH]c3c2CCC3)c1	272070977	YXAXADJPARNMJR-UHFFFAOYSA-N	320.374	1.059	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCc1cnccn1)c1ccccc1	280650680	ZIXYNCJGMMVIEJ-OAHLLOKOSA-N	312.373	1.750	50	20	DDGD	
C[C@@H]1CCC[C@@H]1NCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	281910502	CEIKNHGGMFALTM-MFKMUULPSA-N	320.349	1.134	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N2C[C@H](C)O[C@H](C3CC3)C2)s1	280106187	BSJFJWMHTRAJSH-CABZTGNLSA-N	323.418	1.910	50	20	DDGD	
CO[C@H](C)CN(C)C(=O)NNC(=O)CCCc1ccccc1	287790998	LEDOXFPEAPKYBE-CYBMUJFWSA-N	307.394	1.717	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(S[C@H]2CCOC2=O)cc1	286213817	FFSGRWBIRCFBKH-NSHDSACASA-N	324.358	1.437	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H]2CCCO2)c(=O)oc2ccccc12	294629143	LDTQOOZARGJYRS-LBPRGKRZSA-N	316.313	1.041	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CN(C)c1ccccc1	807371126	DPGBKLYSPWEKAC-UHFFFAOYSA-N	323.393	1.059	50	20	DDGD	
CC(C)CO[C@@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802097186	HHSDJKCMAHYIKQ-JTQLQIEISA-N	323.349	1.629	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)NNc1cccc(F)n1	804773122	FIDNIMCTLCHQKL-SNVBAGLBSA-N	308.357	1.701	50	20	DDGD	
CC[C@@H](C)CCC(=O)OCC(=O)NNC(=O)c1ccccc1	803877270	JXRQZKCOHITQMU-GFCCVEGCSA-N	306.362	1.817	50	20	DDGD	
C#CCOc1cccc(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	292974018	QHLLCKPGUZABKX-FZMZJTMJSA-N	317.345	1.419	50	20	DDGD	
C[C@@H](Cc1ccc(O)cc1)NC(=O)NNC(=O)[C@H]1CCCCO1	297469611	UPLYMJGVSQQHAY-SMDDNHRTSA-N	321.377	1.223	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](C)Cc1cnc2ccccc2n1	293498419	OLSMYVZUBNXQRO-LLVKDONJSA-N	315.377	1.501	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)N[C@H](C1CC1)C(F)(F)F	808866126	OUCVEZJCOQYOQH-MRVPVSSYSA-N	305.260	1.003	50	20	DDGD	
C[C@@H](OCC1CC1)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	802001850	WYQITLPITLTVAZ-MRVPVSSYSA-N	313.304	1.933	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)N[C@H]1CCc2c(O)cccc21	298034511	SSRXZGOYLBMSGV-GXTWGEPZSA-N	319.361	1.279	50	20	DDGD	
COc1ccc(CCNC(=O)/C(C#N)=C\c2cn(C)cn2)cc1	800792342	BJWPEPGKNFGEJJ-ZROIWOOFSA-N	310.357	1.695	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1nc2c(s1)CCCCC2	292755695	VGCRVRQAZMSKTP-JTQLQIEISA-N	324.406	1.744	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1F	295362554	JISSOUQRMSCOHL-LLVKDONJSA-N	311.269	1.064	50	20	DDGD	
CC[C@@H](C)[C@H](C)NC(=O)NNC(=O)COc1ccc(OC)cc1	299150155	FRINUHSCCKLURE-NEPJUHHUSA-N	323.393	1.839	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@@](C)(OC)C2CC2)cc1	292635166	OHFSRMSNCHUFRQ-INIZCTEOSA-N	321.377	1.070	50	20	DDGD	
O=C(Cc1n[nH]c2ccccc12)NNC(=O)CC(F)(F)F	806536898	LHPOAWQUWAXGTQ-UHFFFAOYSA-N	300.240	1.205	50	20	DDGD	
O=C(NNC(=O)c1cnco1)Nc1ccc(OC(F)F)cc1	802045265	JPYHGKCBHKTXCK-UHFFFAOYSA-N	312.232	1.743	50	20	DDGD	
C=CCC(F)(F)C(=O)NNC(=O)COc1ccc(F)cc1	814735499	DOOIOBKLGPYKBY-UHFFFAOYSA-N	302.252	1.563	50	20	DDGD	
C=Cc1ccc(CCNC(=O)NNc2nccc(OC)n2)cc1	813198102	BPJRPYANMPRNON-UHFFFAOYSA-N	313.361	1.997	50	20	DDGD	
NS(=O)(=O)c1ccc(C=NNC(=O)CC2CCCC2)cc1	811639958	LAWIEOSSMDWDES-UHFFFAOYSA-N	309.391	1.364	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)Cc1ccccc1F)n1cccn1	819259421	JKAJOGOTNYUIKT-NSHDSACASA-N	304.325	1.363	50	20	DDGD	
O=C(NNc1ncncc1F)[C@H]1CC(c2ccccc2)=NO1	817081508	FJHRCGBPLHEYAW-GFCCVEGCSA-N	301.281	1.252	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CC2CCC1CC2	814494740	XYULELHNASILEX-GFJIZPEISA-N	324.421	1.938	50	20	DDGD	
Cn1ncc(C=NNC(=O)[C@H]2COc3ccccc3O2)c1Cl	814701447	ZBEVXMMGBHYXIS-GFCCVEGCSA-N	320.736	1.364	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2c(CO)cnc(C)c2O)n1	725855669	ATADABMOCAUDPY-UHFFFAOYSA-N	320.374	1.046	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)N1CCOCC1)c1cccs1	726484664	CHEBWJWOJFVNNI-VIFPVBQESA-N	314.436	1.230	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCSC1)Nc1ccc2c(c1)OCO2	813574518	BYYYHPMATVZYGV-SECBINFHSA-N	323.374	1.711	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCOC1)c1cccc(O[C@H](C)C(=O)O)c1	814914857	PQWAYFZDUNINHA-DGCLKSJQSA-N	320.345	1.415	50	20	DDGD	
CO[C@](C)(C=NNC(=O)COc1ccccc1[N+](=O)[O-])C1CC1	814743278	CELBIMCCNSQRBB-OAHLLOKOSA-N	321.333	1.891	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)C2CCOCC2)cc1	729689538	MDSGYIIWEBJXSZ-UHFFFAOYSA-N	322.434	1.497	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccccc1	826009591	CNPPWPZETDMVJH-BNOWGMLFSA-N	305.378	1.893	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc(C(=O)O)s1)C1CC1	827709747	FQMRHGYITFIQML-LURJTMIESA-N	313.404	1.354	50	20	DDGD	
C[S@@](=O)C1(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)CCC1	491176745	RNDKSNRTPZDXQU-HVMDOBLNSA-N	318.398	1.717	50	20	DDGD	
COC(=O)[C@@H]1CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)[C@H]1C	491043626	ABWFTKLSAKLNNS-VKABWTOWSA-N	314.341	1.709	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CCN(C)[C@@H]2C)c(C)c1	824044324	NZWHQGARKDJASV-ZIAGYGMSSA-N	318.421	1.203	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H](C)c2nncn2C)cc(C#N)n1C	490639111	QXQGFYCSYVKDLG-ASOMJZDJSA-N	323.360	1.118	50	20	DDGD	
COC(OC)C(=O)NNc1ccc(C#N)cc1C(F)(F)F	822690147	LWJPBPJEZDBXKZ-UHFFFAOYSA-N	303.240	1.639	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)c1cccc(Cl)c1)C(=O)O	826584687	FTSDRMASQKDACI-UHFFFAOYSA-N	313.741	1.395	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)[C@H]1CC1(C)C	494095657	XJOFHTQHBWYXKH-SNVBAGLBSA-N	313.398	1.485	50	20	DDGD	
CCO[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1cnn(C)c1	491177580	XSILZWKQISKZLK-CDWBCPPQSA-N	302.378	1.791	50	20	DDGD	
Cc1nn(CC(F)F)cc1C(=O)NNc1ncc(Cl)cn1	826849900	LIYYZWIINKHRPY-UHFFFAOYSA-N	316.699	1.657	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)NCC2CC2)cc1F	726482873	NVIRABAGGJGGEX-UHFFFAOYSA-N	312.370	1.745	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccc(-c2ccc[nH]2)cc1	495449427	WMEJFWKIJUGDKI-UHFFFAOYSA-N	302.290	1.007	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)O1	825182410	IUXNQUOALQTVJF-VXGBXAGGSA-N	302.338	1.267	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@H]1CCN(c2ccccc2)C1	825505177	DBUXNZAYAGZAJS-JTQLQIEISA-N	315.295	1.613	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@H]3CCCNC3=O)nc12	828359056	UWIUIWFWSACBBD-VIFPVBQESA-N	304.375	1.574	50	20	DDGD	
Cc1c(NCc2ccccc2B(O)O)cnn1CCC(C)C	585034875	OQFCRTZOQCZJCS-UHFFFAOYSA-N	301.199	1.530	50	20	DDGD	
C[C@@H]1CCCC[C@H]1C(=O)OCC(=O)NNC(=O)c1ccccc1	820946524	NPCWKUJNXHLHCO-TZMCWYRMSA-N	318.373	1.817	50	20	DDGD	
CC(C)(C)N1C[C@@H](NC(=O)[C@@]2(C)C[C@H]2Br)CC1=O	906879357	VGRRKEWGDVOHIB-RWEMILLDSA-N	317.227	1.676	50	20	DDGD	
Cc1cccn2cc(C(=O)NNC(=O)[C@H]3CCCCO3)cc12	820942288	UBAZWDFNGGXMRD-CQSZACIVSA-N	301.346	1.578	50	20	DDGD	
CCC[C@@H](NCc1ccccc1B(O)O)c1nnc2ccccn12	585032369	GDCKYZNUCCGLLB-OAHLLOKOSA-N	324.193	1.040	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCC1=O	824866833	NSBMRYSHPNLMRA-GXSJLCMTSA-N	314.349	1.315	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1ccncc1Br	825222386	XWXWGYNGJDHCNZ-CSKARUKUSA-N	310.151	1.904	50	20	DDGD	
COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NN(C)[C@H](C)CO)c1	823934605	IJOBPUIANBDTPX-SCDSUCTJSA-N	308.378	1.151	50	20	DDGD	
Cc1ccc(F)c(C(=O)NN(C)[C@@H](C)CO)c1Br	823927651	CKFOVSJRVNNDCD-QMMMGPOBSA-N	319.174	1.854	50	20	DDGD	
COC(=O)N1CCN(/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)CC1	497059793	YXHLCJQZYYTDOK-NSIKDUERSA-N	316.317	1.843	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2CCc3ccc(F)c(F)c32)c1	585045829	NMWCCQNEYYHZNX-CQSZACIVSA-N	303.117	1.422	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cnc(S)n1-c1ccccc1	495693650	QTNABOZIHWEEHM-UHFFFAOYSA-N	306.347	1.504	50	20	DDGD	
Cc1ccc(/C=C(\C#N)C(=O)OC[C@H]2CN(C)C(=O)O2)cc1	495729623	MPZXRCJUMCUUKK-WTWVRAIASA-N	300.314	1.896	50	20	DDGD	
CC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)c1cncc(F)c1	737422592	KVQYFHFUUYGQJK-UHFFFAOYSA-N	317.280	1.865	50	20	DDGD	
C[C@H](CO[C@@H]1CCOC1)NC(=O)[C@]1(C)C[C@@H]1Br	906946145	WFTVJJWTTWLTDN-MWGHHZFTSA-N	306.200	1.470	50	20	DDGD	
NC(=O)C1(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)CC1	731598148	ASDUDVPCGFURAM-UHFFFAOYSA-N	316.144	1.020	50	20	DDGD	
COCCOCCCCNC(=O)[C@@]1(C)C[C@H]1Br	906485231	MLURPUXAEXESEL-PWSUYJOCSA-N	308.216	1.719	50	20	DDGD	
C[C@H](C(=O)OCC(=O)NNC(=O)c1cccs1)C1CCC1	838392328	TWMXSBAIWPSNMA-VIFPVBQESA-N	310.375	1.489	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@H]2CCCSC2)cc1	838504544	QPAOAOCBRIWUDD-NSHDSACASA-N	324.406	1.927	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC2CCC2)cc(-c2nn[nH]n2)n1C	737212771	MEWBNQKEGJLFMG-IZZDOVSWSA-N	311.349	1.089	50	20	DDGD	
CC(C)[C@@]1(C)C[C@@H]1NC(=O)NNC(=O)COCc1ccccc1	838764040	LTRBSHRIMLNASH-WMLDXEAASA-N	319.405	1.968	50	20	DDGD	
OB(O)c1cccc(-c2noc([C@H]3CCC[C@@H]3C(F)F)n2)c1	585051850	FNZZTXBATBZJCM-QWRGUYRKSA-N	308.093	1.565	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccccc2F)CC1)[C@@H]1CCCCO1	833243604	UYHCDTQIITWKES-AWEZNQCLSA-N	320.364	1.865	50	20	DDGD	
C[C@@H](Oc1cccnc1)C(=O)NNc1cnnc2ccccc12	735519900	FZNCIJLKNCUTQP-LLVKDONJSA-N	309.329	1.935	50	20	DDGD	
Cc1ccc(OC(F)F)c(CNCc2ccc(B(O)O)o2)c1	585031102	QNNMIGQYMASJOK-UHFFFAOYSA-N	311.093	1.159	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1CC(c2ccc(C)cc2)=NO1	907253368	UDNAFRKGEVLPDC-ZDUSSCGKSA-N	304.350	1.181	50	20	DDGD	
O=C(COCC1CCCC1)NNc1ccc(-n2ccnc2)nn1	836788882	ZZBIXRYTAROXNL-UHFFFAOYSA-N	316.365	1.312	50	20	DDGD	
O=S(=O)(CCl)N1CCN(Cc2cccc(O)c2)CC1	830618694	IDDWVYXDQYKGCG-UHFFFAOYSA-N	304.799	1.036	50	20	DDGD	
COc1cccc(CCNC(=O)NNC(=O)C2CCCC2)c1	916382136	SETMWTMSMPEPJU-UHFFFAOYSA-N	305.378	1.758	50	20	DDGD	
N#Cc1cccc(C(=O)NN[C@H](C(=O)O)c2ccc(F)cc2)c1	739132948	XEXOEVKNUPNTKW-AWEZNQCLSA-N	313.288	1.758	50	20	DDGD	
CN(NC(=O)c1cnn(C)c1C(F)(F)F)C(=O)OC(C)(C)C	838366559	ZEAJIYDSCZMVCG-UHFFFAOYSA-N	322.287	1.951	50	20	DDGD	
CC(C)c1ccc(NNC(=O)c2cn(C)c(=O)nc2O)cc1	837055408	GBYFSNQWPPSXHZ-UHFFFAOYSA-N	302.334	1.366	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2cccc(Br)c2)c[nH]1	916981767	XRLQDMDAFBXWIZ-UHFFFAOYSA-N	323.150	1.633	50	20	DDGD	
O=C(O)NCCCC(=O)NNc1nc(C(F)(F)F)cs1	832609339	VMDVWRDSWMZMNU-UHFFFAOYSA-N	312.273	1.653	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1C[C@@H](F)C[C@H]1C(=O)O	910443937	XUQBESZSROBTOE-FXQIFTODSA-N	310.163	1.820	50	20	DDGD	
CC(C)CC1(C(=O)NNC(=O)CN2CCCC2=O)CCCC1	913731366	FSORGHZDYDQFQQ-UHFFFAOYSA-N	309.410	1.363	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)N[C@@H]1CCS(=O)(=O)C1	913834181	VRXAREHMJAVDDW-SNVBAGLBSA-N	317.798	1.462	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1c(C)nn(C(C)C)c1C	746488354	HPPIASPUYRXHBU-UHFFFAOYSA-N	319.409	1.543	50	20	DDGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	842250783	LAGWBMPWTOEGMA-SFGNSQDASA-N	307.281	1.792	50	20	DDGD	
Cn1nnc2c(=O)n(CCO[Si](C)(C)C(C)(C)C)cnc21	842590714	QXNMMIOWPNQOLS-UHFFFAOYSA-N	309.446	1.547	50	20	DDGD	
Cc1cccc2cc(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)oc12	843647331	MHOAJPNGPBKOQK-JQWIXIFHSA-N	302.330	1.927	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1cc2ccccc2o1	842592140	JFBVCFABRAHMQK-GXSJLCMTSA-N	324.358	1.167	50	20	DDGD	
COc1nccnc1NNC(=O)C[C@](C)(O)c1ccccc1	840571761	MJOIKDFHWQCIIC-HNNXBMFYSA-N	302.334	1.226	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNC(=O)c1cc2ccccc2o1	749473607	BKGYLALJWGRQTF-ZDUSSCGKSA-N	311.341	1.291	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1cc(F)c(F)c(F)c1)C(C)C	746703051	HKHFWKDFYOJUAA-GFCCVEGCSA-N	303.284	1.708	50	20	DDGD	
NNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1	916665368	MKWPTQDPVFRGFN-UHFFFAOYSA-N	317.370	1.042	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc2c(F)cccc2c1	843663416	YPMVBSAXVGGAAM-BXKDBHETSA-N	317.320	1.560	50	20	DDGD	
C=C[C@@](C)(CCOC)C(=O)NNC(=O)c1cccc(Cl)n1	912509050	ZQZVKIIJKZNIPJ-AWEZNQCLSA-N	311.769	1.725	50	20	DDGD	
CNC(=O)c1ccc(C(=O)NNc2ccc(Cl)c(F)c2)cn1	746701272	UMKLTIANDZGIRE-UHFFFAOYSA-N	322.727	1.991	50	20	DDGD	
C[C@@H]([C@H](C)C(=O)NNc1ccc(F)c(F)c1F)S(C)(=O)=O	841408235	JIUGKIUAALTNDJ-BQBZGAKWSA-N	324.324	1.616	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)[C@H]1CCO[C@H]1C)CCO2	842559269	UJCBFPGMGOWTAD-JQWIXIFHSA-N	304.346	1.723	50	20	DDGD	
O=C(NCCc1ccccc1[N+](=O)[O-])NNc1ccccn1	743672269	HJYWRXKUZJBWQQ-UHFFFAOYSA-N	301.306	1.859	50	20	DDGD	
COc1ccc2cc(NC(=O)NNC(=O)CCCN)ccc2n1	841101882	SXNCODJBYVHKBO-UHFFFAOYSA-N	317.349	1.135	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccc(Cl)c(Cl)c1	744812858	VIYLQQWPMLZGFE-UHFFFAOYSA-N	302.161	1.968	50	20	DDGD	
CO[C@H](CS(=O)(=O)NNC(=O)C1CCC1)C1CCCCC1	849307805	GXOQQLJUJONMOK-CYBMUJFWSA-N	318.439	1.332	50	20	DDGD	
O=C(NN=C1c2ccccc2CC12CCOCC2)c1ncccn1	841663933	BLLJWFNVUXDTQH-UHFFFAOYSA-N	322.368	1.964	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@H]2CCSC2)c1	843871069	VYALXHBGKVYUMW-JTQLQIEISA-N	308.407	1.976	50	20	DDGD	
Cc1ccc(Br)cc1CC(=O)NN(C)C[C@@H](C)O	910151164	YZIKSTAAHRUXSE-SNVBAGLBSA-N	315.211	1.644	50	20	DDGD	
COc1cc(C)c(S(=O)(=O)NNC(=O)c2ccc[nH]2)c(C)c1	914845946	FMVMDCURLMOFTH-UHFFFAOYSA-N	323.374	1.263	50	20	DDGD	
Cc1cccc([C@H](C)CNC(=O)NNC(=O)c2ncccn2)c1	841581911	PYJIJJCUVLKPTH-GFCCVEGCSA-N	313.361	1.533	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1cc([N+](=O)[O-])ccc1N	842549286	JBCLIYSKFGRFKN-MWLCHTKSSA-N	306.322	1.442	50	20	DDGD	
C#CCSCCNC(=O)NN=c1sc2ccccc2n1C	740071387	JYNVPBPMPPZJPM-UHFFFAOYSA-N	320.443	1.721	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)c2cc(Cl)ccc2O)[C@H]1OC	841616291	IJWHMTBVJGRTTQ-CHWSQXEVSA-N	312.753	1.955	50	20	DDGD	
CN(CC(=O)NNc1cc(O)nc2ncccc12)CC(C)(C)C	913989210	XOUZIAYPEIVQTO-UHFFFAOYSA-N	317.393	1.756	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCCC2(O)CCC2)cc1	845182644	DITVYVAKZWJAEY-UHFFFAOYSA-N	321.377	1.333	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@@H]1CCCNC1)c1ccccc1	841941318	LKZJMDKANWOIKL-KGLIPLIRSA-N	304.394	1.263	50	20	DDGD	
CO[C@](C)(C1CC1)[C@@H](C)NC(=O)NNC(=O)[C@H]1CCCCO1	840423855	KJUCDUURXBMIIO-HCKVZZMMSA-N	313.398	1.090	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	843640470	NUOSSBZOEIOQMG-GXTWGEPZSA-N	306.362	1.336	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCCCNC1CC1)c1ccccc1	841918856	DSXRPBLVYAKKKM-UHFFFAOYSA-N	318.421	1.437	50	20	DDGD	
COc1ccc(C(=O)NN=C[C@@]2(OC)CCOC2)c(OC)c1	841623635	LHJGHSFGLRZHTJ-HNNXBMFYSA-N	308.334	1.225	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2scnc2Cl)n1	919692086	BNLVAHMEOMHIKR-UHFFFAOYSA-N	313.770	1.071	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O	843896729	JECCTXBLHDCZRI-UHFFFAOYSA-N	313.697	1.515	50	20	DDGD	
COc1ccc2c(c1F)NC(=O)C2=NNC(=O)[C@H]1CCO[C@@H]1C	842549099	GYJSAOXBDLSVQJ-SFYZADRCSA-N	321.308	1.032	50	20	DDGD	
CC(C)C(Cc1ccc(F)cc1)=NNC(=O)C(=O)NC1CC1	743432916	VSFJIMRPTCLMDW-UHFFFAOYSA-N	305.353	1.775	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H](CC(C)C)OC)cc1OC	841004863	ZAPQRWHMMFNFKB-CQSZACIVSA-N	324.377	1.526	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cnn(-c2ccc(F)cc2)c1	843774597	FUYKVYKMFQFWMB-UHFFFAOYSA-N	317.324	1.365	50	20	DDGD	
C[C@@H](Cc1ccco1)NC(=O)NNC(=O)Cc1ccncc1	747490390	YDLKGAZLRIIFQZ-NSHDSACASA-N	302.334	1.179	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCCc2sccc21	843655206	UUTHJNDIXDOHBX-HOSYDEDBSA-N	308.403	1.740	50	20	DDGD	
CC[C@@](O)(CC(=O)NNC(=O)c1cccn1C)c1ccccc1	840243324	CSGMJJPIXHKVQV-QGZVFWFLSA-N	315.373	1.474	50	20	DDGD	
CCNC(=O)C1(CNS(=O)(=O)CCCCCl)CCC1	752834298	QBRRJXCLKSJWOP-UHFFFAOYSA-N	310.847	1.231	50	20	DDGD	
CC(C)n1cc([C@H](C)NCC(=O)NNC(=O)C(C)(C)C)cn1	754805872	LSUMFYQKZNDDHL-NSHDSACASA-N	309.414	1.308	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)C[C@H]1Br	857399039	QBDGXIGEIMSERM-ZDSQKVDBSA-N	315.211	1.287	50	20	DDGD	
O=C(NNC(=O)C1CC(F)(F)C1)c1cc(Cl)ccc1O	754015378	SXYFYDDAUOSESM-UHFFFAOYSA-N	304.680	1.852	50	20	DDGD	
CO[C@H]1C[C@@H](NC(=O)NNC(=O)CCc2ccccc2)C1(C)C	753428065	BPUPOLKHGWLEMH-KGLIPLIRSA-N	319.405	1.763	50	20	DDGD	
C[C@@]1(CNC(=O)N2C[C@@H]3[C@@H](CO)[C@@H]3C2)C[C@@H]1Br	856957233	BLLHWTMACRAEDR-PPRSSJNSSA-N	303.200	1.040	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)N[C@@H]1COC(=O)C1	923737376	SWDUKMZYYGRZPY-QMMMGPOBSA-N	301.249	1.230	50	20	DDGD	
O=C(Cn1nc(C(F)F)cc1C(F)F)NNC(=O)C1CC1	929230532	WIUQUXKSZLXRPG-UHFFFAOYSA-N	308.235	1.316	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)C1CC(F)(F)C1	753562511	IDRDEWMKAMPBOB-UHFFFAOYSA-N	302.252	1.397	50	20	DDGD	
O=C(Cc1ccc2c(c1)COC2)NN=c1cc[nH]cc1Cl	758323329	HITQPNFKOWBOSC-UHFFFAOYSA-N	303.749	1.873	50	20	DDGD	
Cn1c(=O)oc2cc(C=NNC(=O)NCc3ccco3)ccc21	754941967	LHRZROYISVYKJU-UHFFFAOYSA-N	314.301	1.558	50	20	DDGD	
C=CCC(CC=C)C(=O)OCC(=O)NNC(=O)c1cccs1	759008143	RBHHFTAHNUGOBG-UHFFFAOYSA-N	322.386	1.821	50	20	DDGD	
COc1ccc(C=NNC(=O)C(=O)Nc2ccccn2)cc1F	758382733	ZCJZRQACMJTPPP-UHFFFAOYSA-N	316.292	1.318	50	20	DDGD	
C[C@]1(CNC(=O)c2cnn3c2OCCC3)C[C@H]1Br	857389127	YRYNUPKPZJEXFK-BXKDBHETSA-N	314.183	1.569	50	20	DDGD	
CNC(=O)NN=Cc1c(Cl)cccc1N1CCN(C)CC1	920378270	YOZUUCCSSMLACI-UHFFFAOYSA-N	309.801	1.355	50	20	DDGD	
CCOC(=O)c1nc(/C(C#N)=C(\C)N)sc1C(=O)OCC	853003980	QXJGJNWZSSVMQK-BQYQJAHWSA-N	309.347	1.710	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CCCN2C2CC2)c1C	855625273	NFUOGFQFNQCIPQ-HNNXBMFYSA-N	317.389	1.852	50	20	DDGD	
CN(C)C1(C(=O)NNC(=O)c2cn(C)c3ccccc23)CC1	854276782	SILGCFOIOGLBLJ-UHFFFAOYSA-N	300.362	1.034	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccc3cccnn23)c1	753485961	DRLLYLSHGFNRHT-UHFFFAOYSA-N	305.297	1.281	50	20	DDGD	
O=C(CNc1ccccc1Cl)NNC(=O)CC(F)(F)F	750237440	MCXDJRLMBFCRSA-UHFFFAOYSA-N	309.675	1.852	50	20	DDGD	
Cc1ccc(CO[C@@H](C)C(=O)NNC(=O)c2c[nH]nc2C)cc1	859265944	BYWWKNIZAXEVKW-LBPRGKRZSA-N	316.361	1.393	50	20	DDGD	
CCn1ccnc1C=NNC(=O)[C@@H](C)Oc1ccccc1F	755554039	XTCVHVCAPWDINR-LLVKDONJSA-N	304.325	1.960	50	20	DDGD	
CC[C@@H]1CN(C(=O)NNC(=O)c2cccc(F)n2)C[C@@H](C)O1	852709070	BGPJNEXTBXNXNV-NXEZZACHSA-N	310.329	1.074	50	20	DDGD	
CCc1noc(NC(=O)NC[C@@]2(C)C[C@@H]2Br)n1	856868746	QLJLOJJQXYLLCY-QUBYGPBYSA-N	303.160	1.927	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1n[nH]c2c1CCCCC2)C1CC1	855099505	HMOJPHVFZKJFIJ-SECBINFHSA-N	321.450	1.586	50	20	DDGD	
Cc1nn(C)cc1C=NNC(=O)c1cnn(-c2ccccc2)c1	755716564	GEINDDPDQUVBNJ-UHFFFAOYSA-N	308.345	1.678	50	20	DDGD	
O=C(NNC(=O)c1cnn(-c2cccnc2)c1)c1ccccc1	759275059	MFXKGTIKLVZAFU-UHFFFAOYSA-N	307.313	1.342	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCC[C@@H]1CCOC1=O	754540999	MFDGJDFBSLIBOC-OQZOHAQUSA-N	301.298	1.796	50	20	DDGD	
CSSCCNC(=O)[C@H](C)n1cnc2c(N)ncnc21	854393686	IWVHKLGEISWQDF-ZETCQYMHSA-N	312.424	1.097	50	20	DDGD	
CC[C@H](C)CC[C@@H](O)CC(=O)NNC(=S)NCC1CCC1	855089943	MSRVEWKZTSTVEN-WCQYABFASA-N	315.483	1.859	50	20	DDGD	
CN(C)CCc1ccc(C(=O)NNc2ccc(Cl)nn2)cc1	857129654	LMJZSFCMNYIHLQ-UHFFFAOYSA-N	319.796	1.991	50	20	DDGD	
O=C(COC(=O)CCCF)NNC(=O)c1cccc(Cl)c1	850191809	NIKINLSZULPSRW-UHFFFAOYSA-N	316.716	1.394	50	20	DDGD	
Cc1[nH]nc2ncc(C(=O)NNC(=S)N[C@@H](C)C3CC3)cc12	855103461	WBNONFFWGVSATH-ZETCQYMHSA-N	318.406	1.174	50	20	DDGD	
C=CCN1CCC(NC(=O)NNc2ncc(Cl)cn2)CC1	856860074	QAVMSPIWDUVNGA-UHFFFAOYSA-N	310.789	1.407	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCCOC[C@@H]1CCCO1	853745201	OTYLDWIHZHQIAZ-ZDUSSCGKSA-N	311.357	1.956	50	20	DDGD	
Cc1ccccc1C[C@@H](C)C(=O)NNC(=O)Cc1cccnc1	859198883	HVNITZZCHQWOLO-CQSZACIVSA-N	311.385	1.959	50	20	DDGD	
Cc1ccc([C@@H](C)NCc2cccc(B(O)O)c2)cc1[N+](=O)[O-]	863888750	VSNYEVZIOVFKRA-GFCCVEGCSA-N	314.150	1.434	50	20	DDGD	
CC(C)[C@H](Cc1ccccc1)C(=O)NNC(=O)c1cn[nH]c1	862471897	QEAWQFCVUOKLJL-AWEZNQCLSA-N	300.362	1.686	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)NC1(C(F)(F)F)CCOCC1	932296874	ULODBHNMHMNZJF-MRVPVSSYSA-N	311.304	1.474	50	20	DDGD	
COCCOCC(=O)NNC(=O)C(C)(C)C1CCCCC1	869908128	XPZUFRRGYISMBI-UHFFFAOYSA-N	300.399	1.403	50	20	DDGD	
COCC(=O)NN=Cc1cc2c(cc1Br)OCO2	761819329	NRCWMOGWCSMEIL-UHFFFAOYSA-N	315.123	1.274	50	20	DDGD	
O=C(NNC(=O)c1c(C(F)F)nc2n1CCCC2)c1ccc[nH]1	864588590	JAIGLLQTQYMWMP-UHFFFAOYSA-N	323.303	1.560	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(C(=O)OC)cnc1Cl	861533888	SFONWFRKKNKWCL-UHFFFAOYSA-N	300.702	1.084	50	20	DDGD	
CSCCCNC(=O)NNc1ccccc1S(C)(=O)=O	765786890	ATZOOPQNJZLJOX-UHFFFAOYSA-N	317.436	1.469	50	20	DDGD	
Cc1nn(C)c(C)c1CCC(=O)NNc1nc2ccccc2[nH]1	768507250	PVEVYFBNTCCWJS-UHFFFAOYSA-N	312.377	1.989	50	20	DDGD	
C[C@H](NNC(=O)C(=O)Nc1c(F)cccc1F)C(F)(F)F	862322307	KEOKNJOIFZKHNZ-YFKPBYRVSA-N	311.210	1.475	50	20	DDGD	
Cc1oc2ncnc(O)c2c1C(=O)NN[C@H](C)C(F)(F)F	862305464	ODAGNZGPGHXZFA-RXMQYKEDSA-N	304.228	1.422	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H](C)Cc2c(C)nn(C)c2C)cc[nH]1	862512958	MVWPSCZLAOSWLU-JTQLQIEISA-N	301.394	1.484	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@]1(CC)CCNC1=O)c1ccccc1	865695872	RMWSCYVNPDPMDK-DYVFJYSZSA-N	317.389	1.244	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)Nc2c(C)nn(C)c2C)c1	860863739	IYYBTNXHDIMHBY-UHFFFAOYSA-N	307.379	1.873	50	20	DDGD	
C[C@@H](NNC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C)C(F)(F)F	862309894	VSWFMDGSOMRAQT-NXEZZACHSA-N	323.359	1.985	50	20	DDGD	
CC[C@@H]1CN([C@H](CC)C(=O)NN[C@@H](C)C(F)(F)F)CCO1	862319862	LTSAKWXWNBXTHI-HBNTYKKESA-N	311.348	1.447	50	20	DDGD	
COC1(C=NNC(=O)[C@H](C)Oc2ccc(F)cc2)CCOCC1	761769390	LVRGRORFRILKHC-LBPRGKRZSA-N	324.352	1.891	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ncc3n2CCCC3)c1	867292503	QKDNALVTJLVMRA-UHFFFAOYSA-N	314.345	1.763	50	20	DDGD	
Cn1nc2c(c1C(=O)NNc1nc3ccccc3[nH]1)CCCC2	768513775	YKMMZWRVMQKXHT-UHFFFAOYSA-N	310.361	1.932	50	20	DDGD	
CC[C@@H](C)n1ncc(C(=O)NNC(=O)c2cn[nH]c2)c1C1CC1	862472655	PTZDMMWEKBUMPE-SECBINFHSA-N	316.365	1.529	50	20	DDGD	
C[C@@H]1CO[C@@H](CO)CN1C(=O)[C@@H](Br)C(C)(C)C	768273900	DAWIJDUGZAWHAX-OPRDCNLKSA-N	308.216	1.404	50	20	DDGD	
CCC[C@@H](CC1CCCC1)C(=O)NNC(=O)[C@H]1CCC(=O)N1	862456034	UMCNFAHMPXGNIV-QWHCGFSZSA-N	309.410	1.409	50	20	DDGD	
Cn1cnc2cc(S(=O)(=O)NCC(Cl)Cl)ccc21	867470504	PAGROUFAWRQTEB-UHFFFAOYSA-N	308.190	1.655	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H](C)[C@H]1CCC(=O)N1	861514382	CDDSHWFYGMPHIL-CMPLNLGQSA-N	304.350	1.062	50	20	DDGD	
O=C(NNc1cccc(F)c1Cl)[C@@H]1CCS(=O)(=O)C1	862506275	REQOULUHORKTQV-SSDOTTSWSA-N	306.746	1.357	50	20	DDGD	
Nc1cnnc(NNC(=O)c2csc(C3CC3)n2)c1Cl	1116298396	OWNZFZJATGXSSE-UHFFFAOYSA-N	310.770	1.803	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1nc(Cl)sc1C	763276243	GCVBFTVTKCIVSH-YFKPBYRVSA-N	319.770	1.208	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H]1CCO[C@]2(CCSC2)C1	769235956	LBBORGVVLIOGBM-SMDDNHRTSA-N	315.439	1.418	50	20	DDGD	
C[C@@H](C(=O)NNc1ccn(C)n1)n1ccc(C(F)(F)F)n1	1119263498	LDHNWYWBPUXBLJ-ZETCQYMHSA-N	302.260	1.340	50	20	DDGD	
O=C(COc1ccc(Cl)cc1)NNC(=O)NCC(F)F	879759531	QKCLBDQRVDJJNL-UHFFFAOYSA-N	307.684	1.314	50	20	DDGD	
CC[C@H](NC(=O)NNc1nncc(N)c1Cl)[C@H]1CCCO1	1116381387	RKYJTQULLZIWIH-DTWKUNHWSA-N	314.777	1.296	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1ccccc1[N+](=O)[O-]	767408151	WIQYBQMOMHDHHF-UHFFFAOYSA-N	301.306	1.709	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@@H]2CNC(=O)C[C@H]2C(F)(F)F)c1	879122445	MHXUXRSPOBRLGG-RKDXNWHRSA-N	316.283	1.148	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C	875575707	XAWHXEJDMQOYOK-DGCLKSJQSA-N	308.382	1.590	50	20	DDGD	
COCCOCC(=O)NN=C1CCC[C@H](c2ccnn2C)C1	872400785	RKDZWRZKMOQAEV-LBPRGKRZSA-N	308.382	1.213	50	20	DDGD	
C[C@@H]1CN(CCC(=O)NNC(=O)C2CCC=CCC2)C[C@@H](C)O1	877999434	WMKXCQSZAXVIMG-ZIAGYGMSSA-N	323.437	1.380	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCC(F)(F)C1	776609099	JPIGWXMPHXSHHU-UHFFFAOYSA-N	311.332	1.026	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1ccn(C(F)F)n1	775790724	ZTHTVVNYGJPEJZ-UHFFFAOYSA-N	324.287	1.378	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)c1nc2ccccc2s1)C(C)C	872999843	JNBCTOVSJQYNIW-SNVBAGLBSA-N	316.386	1.898	50	20	DDGD	
O=C(NNc1ccc(Br)nc1)[C@H]1CCCCO1	772454979	RPVKMMKCPFVVMQ-SECBINFHSA-N	300.156	1.856	50	20	DDGD	
COc1cccc(NNC(=O)c2c(C)nc(O)nc2SC)n1	1116514695	LWVTUPYGBUIEBC-UHFFFAOYSA-N	321.362	1.373	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CSc2ccccc21	772141280	XEMQPODGSOHIGI-ONGXEEELSA-N	322.386	1.365	50	20	DDGD	
CCC[C@@H](CNC(=O)NNc1nncc(N)c1Cl)OC	1117812641	POLDFCPNQKFIIE-ZETCQYMHSA-N	302.766	1.153	50	20	DDGD	
C#CC[C@@H](N[C@H](C)C(=O)NNC(=O)CC(C)C)c1ccccc1	775400400	ZSEKQGXGPYFBMY-GDBMZVCRSA-N	315.417	1.923	50	20	DDGD	
CCC/C=C/C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1	772898442	RCFQYQKYBTWXHH-SNAWJCMRSA-N	323.780	1.460	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cccnc1-n1cccn1	772875578	CXYPUJKVKKPKPX-UHFFFAOYSA-N	323.360	1.938	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2oc(C)nc2C)nc1C	778422141	VXSYCTIYJUYSFQ-UHFFFAOYSA-N	319.321	1.323	50	20	DDGD	
CCCCS(=O)(=O)CC(=O)NNc1cc(F)ccc1F	885146372	VVBZCQXOROMHSM-UHFFFAOYSA-N	306.334	1.623	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N[C@@H](C)c1cccc(C#N)c1	775337909	LAKDCRGFYHFHRB-STQMWFEESA-N	316.405	1.791	50	20	DDGD	
O=C(NNc1ccccn1)Nc1ncn(Cc2ccccc2)n1	779039225	NACASVMLSKZWHO-UHFFFAOYSA-N	309.333	1.870	50	20	DDGD	
O=C(NNC(=O)C1(c2cccc(F)c2)CCC1)C1CCOCC1	883064820	PSIQMEKCSVPEJY-UHFFFAOYSA-N	320.364	1.821	50	20	DDGD	
Cc1ccsc1CCCC(=O)NNC(=O)c1cccnn1	882057122	OBPPEZCHKOPEHW-UHFFFAOYSA-N	304.375	1.630	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2CC[C@H](C)C2)c1	776293160	WOLWNEAMBBYTFG-QWRGUYRKSA-N	306.362	1.901	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cc(C)ccc2OC)n1	775429341	XDRDCLQBNCEYHC-UHFFFAOYSA-N	303.322	1.951	50	20	DDGD	
CC1=C(C(=O)NNc2ccc(F)c(F)c2)S(=O)(=O)CCO1	885112845	GBCWIHNBCPCFMN-UHFFFAOYSA-N	318.301	1.084	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NNc2ccc(C#N)cn2)C1(C)C	888756547	OJNPGSWWVPEDGC-ZWKOPEQDSA-N	303.366	1.639	50	20	DDGD	
CCS(=O)(=O)NCCCOC(=O)/C(C#N)=C\c1ccccc1	785364678	HWZUCYLHYUJPJN-KAMYIIQDSA-N	322.386	1.466	50	20	DDGD	
COc1cccc(Cl)c1NC(=O)NNC(=O)CN(C)C	880805875	JSLMEUQCLGCMIB-UHFFFAOYSA-N	300.746	1.063	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cccc(O)n1	788264629	VYAGQMITHJMECS-SECBINFHSA-N	319.292	1.155	50	20	DDGD	
C[S@@](=O)CCCNC(=O)NNc1cc(C(F)(F)F)ccn1	1122015000	PWFAEVKFKHAXEH-OAQYLSRUSA-N	324.328	1.495	50	20	DDGD	
Cc1nc(Cl)sc1C(=O)NNC(=O)C1CCOCC1	883064481	DSJFTISVMOOSJY-UHFFFAOYSA-N	303.771	1.293	50	20	DDGD	
C[C@@]1(C#N)CCCN(CC(=O)NNC(=O)c2ccccc2)C1	784453636	KUPLNENZSPLGBC-INIZCTEOSA-N	300.362	1.073	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)c2cccc(F)n2)c1C1CC1	880769720	AZPUVOSTWGJOAI-UHFFFAOYSA-N	317.324	1.389	50	20	DDGD	
CC1(NC(=S)NNC(=O)c2cc(-c3cccs3)[nH]n2)CC1	789272204	BIJJLVDQTBXDNB-UHFFFAOYSA-N	321.431	1.800	50	20	DDGD	
CSc1ccc(NC(=O)C(=O)NNc2ccccc2)cn1	784767182	HHAOBGKULAJLAI-UHFFFAOYSA-N	302.359	1.885	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1cc2c(cc1[N+](=O)[O-])OCO2	781366418	DQJPVSUETRIGDW-UHFFFAOYSA-N	320.236	1.615	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=S)NC2(C)CC2)cc1	789251723	QBTOWHHXOOIRQK-UHFFFAOYSA-N	307.423	1.806	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)CCCc2ccccc2)C(=O)O1	896340547	YOSUFSMATWOMRH-YPMHNXCESA-N	319.361	1.044	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41	792777615	GNUFMYGYERHXIB-VBJLVJOSSA-N	304.390	1.936	50	20	DDGD	
CCNC(=O)NNC(=S)Nc1cc(Cl)ccc1OC	792678955	DVODLIIHSBOVJU-UHFFFAOYSA-N	302.787	1.869	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42	795112283	YVBCHADJUXVOCZ-FBSDUYFVSA-N	316.792	1.967	50	20	DDGD	
C[C@H]1CCC[C@H]1CNC(=O)NNc1ccc(-n2cccn2)nn1	798512600	NDKXHKBWPYPIDX-RYUDHWBXSA-N	315.381	1.725	50	20	DDGD	
CC(C)(C#N)c1ccc(C(=O)NNC(=O)Cc2ccncc2)cc1	793601499	KPQCVSRQCWFVBL-UHFFFAOYSA-N	322.368	1.886	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCc2ccc(Cl)cc2)o1	794325566	DFALLTIBSBGOHH-UHFFFAOYSA-N	318.720	1.949	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)c2cccc(C)n2)c1	794084942	JXXBXHASFUYEIY-UHFFFAOYSA-N	314.301	1.681	50	20	DDGD	
C[C@H](Cc1ccncc1)NC(=O)NNc1nc2ccccn2n1	790419965	AVIDIAUFYKRASZ-LLVKDONJSA-N	311.349	1.382	50	20	DDGD	
Cn1c(=NNC(=O)NC[C@@H]2CCOC2)sc2ccccc21	1317965571	DXJBCTMVQNEJLW-JTQLQIEISA-N	306.391	1.391	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)c1ccc2nc[nH]c2n1	1319973141	NBJZUIJIPCTYMK-UHFFFAOYSA-N	315.720	1.686	50	20	DDGD	
O=S1(=O)CCCN(C[C@H](CBr)C2CC2)CC1	701838805	SPMDDSSFJWSCTF-NSHDSACASA-N	310.257	1.528	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2c(Cl)cccc2N(C)C)CC1	1320700122	MUOFTZQDNMTPGJ-UHFFFAOYSA-N	323.828	1.697	50	20	DDGD	
CCc1ccccc1OCCC(=O)NNC(=O)[C@H]1CCCCO1	1324513017	UAVFIMHQGWFKLD-OAHLLOKOSA-N	320.389	1.734	50	20	DDGD	
Cc1ccc(O)c2c1[C@@H](C)CC2=NNC(=O)N1CCN(C)CC1	1321017109	HZKRZBXFYMAASF-LBPRGKRZSA-N	316.405	1.869	50	20	DDGD	
C[C@@]1(CO)CCCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)C1	1322236226	DIIQMTKJUIYMCJ-RKCSUWQLSA-N	300.358	1.920	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N[C@H]2C=CCC2)C[C@H]1Br	1331084063	HPBBBVXIOHLFFO-YGOYTEALSA-N	301.184	1.111	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)Cn1nc2n(c1=O)CCCCC2	1332907951	VTPAEODTOAAYMC-UHFFFAOYSA-N	321.208	1.033	50	20	DDGD	
COC(=O)[C@@H]1C[C@H](O)CN(C[C@@H](CBr)C2CC2)C1	1331396251	MKRPENRANWQFOV-UTUOFQBUSA-N	320.227	1.263	50	20	DDGD	
CCCCS(=O)(=O)/C(C#N)=C\c1cn[nH]c1C(=O)OCC	1338972122	CWWVQBAXOGJKQW-XFFZJAGNSA-N	311.363	1.666	50	20	DDGD	
CC(C)N1CCC[C@H]1C(=O)NNC(=O)c1ccc(Cl)nc1	1333375361	LZRHXKHVZRMEPA-NSHDSACASA-N	310.785	1.369	50	20	DDGD	
C[C@@H]1CNc2c(C(=O)NNc3c(F)cccc3F)cnn2C1	1263769428	YTCIDCSNNQMZFR-MRVPVSSYSA-N	307.304	1.980	50	20	DDGD	
CCO[C@H](C)c1ncc(C(=O)NNc2nccn(C)c2=O)s1	1339890494	HPUFOJHXXFHNGF-MRVPVSSYSA-N	323.378	1.091	50	20	DDGD	
CN(NC(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CC1	1345628163	FTHAXHZAPUBJPX-CYBMUJFWSA-N	316.405	1.127	50	20	DDGD	
C[C@@]1(COC(=O)CS(=O)(=O)C2CC2)C[C@@H]1Br	1345266197	OHUWDNSBZMPNGH-WPRPVWTQSA-N	311.197	1.280	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@@H]2CCC[C@]2(N)C1	1351162261	DIAUBTOTQPPDLB-WFASDCNBSA-N	310.829	1.692	50	20	DDGD	
C[C@]1(CNc2cncc(-c3nn[nH]n3)n2)C[C@H]1Br	1603808256	UOVOAWZREVXTEE-GMSGAONNSA-N	310.159	1.242	50	20	DDGD	
CCO[C@@H](C(=O)NNc1ncccc1C(=O)O)C1CCOCC1	1603824008	SWXVNXFDJVWWQO-GFCCVEGCSA-N	323.349	1.055	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2ccc(F)cc2C(=O)O)CC1	1601057935	FWDXFADBZRMFOR-UHFFFAOYSA-N	310.306	1.368	50	20	DDGD	
Cc1ccc(C(=O)NNc2ncccc2F)cc1-c1nn[nH]n1	1609419221	TYBGJBMCOJXJBU-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
CC(C)c1oncc1C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1603424780	KZUZZVYNDZXIDO-UHFFFAOYSA-N	314.309	1.130	50	20	DDGD	
O=C(NN=Cc1cc2cnccc2o1)[C@H]1CN2CCC[C@H]2CO1	1549315477	PEYIZWRVSAWWMJ-SWLSCSKDSA-N	314.345	1.141	50	20	DDGD	
CNNC(=O)c1cn(-c2ccc(Br)cc2)nc1C	1578745648	ZWWCLQDYHLMJOF-UHFFFAOYSA-N	309.167	1.807	50	20	DDGD	
CNNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1	1578744739	MRGWFEKZBNHXOS-UHFFFAOYSA-N	323.349	1.491	50	20	DDGD	
C/C(=C\C(=O)NNc1cccc(-c2nn[nH]n2)c1)c1cnccn1	1588766304	PXIRFLGMDUXPQO-JXMROGBWSA-N	322.332	1.203	50	20	DDGD	
C#CCN1CCC[C@H](NC(=O)NNc2cccc(C(=O)O)c2)C1	1588477076	VFTGATYFGFYYRK-AWEZNQCLSA-N	316.361	1.109	50	20	DDGD	
O=C(CSC(F)F)NNc1ccc(-c2nn[nH]n2)cc1	1582132676	TZJSITCMMMXBQS-UHFFFAOYSA-N	300.294	1.266	50	20	DDGD	
CC1(C)OC[C@H](/C=C\C(=O)NNc2cccc(C(=O)O)c2F)O1	1593980683	MPDBVGGRIDYWMP-NMTCXDENSA-N	324.308	1.675	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@@H]2F)C1	1841792725	MAPGIOZEVOROOF-MXWKQRLJSA-N	302.777	1.565	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNc1ccc(CC(=O)O)cc1	1597307547	AHTIERZCOOKKTQ-OLZOCXBDSA-N	307.350	1.507	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1sccc1-c1nn[nH]n1	1590393442	FOFHAWUWMUBINC-ZCFIWIBFSA-N	309.355	1.127	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1592251292	XOXWOOPHKLQZRL-UHFFFAOYSA-N	322.328	1.250	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C)c1ccc(-c2nn[nH]n2)cc1	1590797669	ZHBGDWTZJCLDCU-QQMDNXKGSA-N	312.333	1.488	50	20	DDGD	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)c1cccc2ccccc12	1594228158	LZBIUXRILWJKAI-QGHHPUGFSA-N	312.325	1.712	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2ccc(CC(=O)O)cc2)CCOC1	1594020674	VVWOUFRTHWLWKU-HNNXBMFYSA-N	307.350	1.366	50	20	DDGD	
Cn1ncc(C(=O)O)c1C=NNC(=O)c1cc(Cl)ccc1O	1776027299	QLGOHQFVUHZQRT-UHFFFAOYSA-N	322.708	1.241	50	20	DDGD	
O=C(CNC(=O)Nc1ccccc1)NNC(=O)c1ccccc1	11768741	RUEJYPPWZNJDKZ-UHFFFAOYSA-N	312.329	1.269	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)c1cccc(F)c1	15889839	XBQYWBBXICNFAM-UHFFFAOYSA-N	306.268	1.805	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1c(O)cccc1F	161550735	SIDMLIDOOYTWKM-UHFFFAOYSA-N	303.293	1.404	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1	161830602	GMKJDLQHFLNJLK-UHFFFAOYSA-N	320.393	1.426	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1noc2c1CCCCC2	152923270	AZGGCQZZZBYCCR-UHFFFAOYSA-N	314.345	1.342	50	20	DDGD	
CC1(C)CCN(S(=O)(=O)CCCCCl)CC[S@@]1=O	321834804	GJEORQCEGZUVAB-KRWDZBQOSA-N	315.888	1.568	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2CCCCCCC2)n1	8338790	JUPUKJWOASBBPO-UHFFFAOYSA-N	324.450	1.408	50	20	DDGD	
CCN1CCC[C@H]1CNC(=O)NNC(=O)CCc1ccccc1	175385179	BZRJDAZYJDWQBQ-HNNXBMFYSA-N	318.421	1.434	50	20	DDGD	
Cn1nnnc1SCCC(=O)NNc1ccc(F)cc1F	104130693	SNWYJTDETOJEJX-UHFFFAOYSA-N	314.321	1.114	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2sccc2C)cc1	171287220	GHFCVJLTJMMTBA-UHFFFAOYSA-N	317.370	1.765	50	20	DDGD	
COc1ccc(F)cc1C(=O)NNC(=O)c1ccccc1O	23449623	WVTUBSKAYUSAFL-UHFFFAOYSA-N	304.277	1.615	50	20	DDGD	
CCCCCNC(=O)NNC(=O)Cc1cn2ccccc2n1	171204594	VTSJNVCPSKTHCH-UHFFFAOYSA-N	303.366	1.397	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNc1ncccc1Cl	114887366	CIRCWMVNSVZASQ-UHFFFAOYSA-N	300.746	1.703	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@@H](C)SC)o1	67688243	MUGGVLSCYSHRJM-SNVBAGLBSA-N	313.423	1.634	50	20	DDGD	
CCC[C@@H](NNC(=O)COc1cccc(C)c1)C(=O)OCC	173835545	DPDJPXFUWREFEE-CQSZACIVSA-N	308.378	1.726	50	20	DDGD	
CC(C)(C)CC(=O)NCC(=O)NNc1cccc([N+](=O)[O-])c1	178844295	WHXRNBXFXTTZDJ-UHFFFAOYSA-N	308.338	1.590	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)[C@@H]1CCCOC1	170789938	HKOJGTMZTDBPHW-OAHLLOKOSA-N	312.369	1.956	50	20	DDGD	
CC[C@H](C)[C@@H](C)NC(=O)NNC(=O)Cc1cn2ccccc2n1	175380424	XAZHJZKPHCXLHG-NWDGAFQWSA-N	317.393	1.642	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)ccc1Cl)c1ccnnc1	179507939	PTROXYIILHIHFQ-UHFFFAOYSA-N	311.128	1.858	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)[C@@H]1Cc2ccccc2O1	171357970	YQDIRAVXBQRYFK-ZDUSSCGKSA-N	323.312	1.578	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCN(C2CCCCC2)CC1	63371527	FZHWZXWXWHAQAJ-UHFFFAOYSA-N	320.437	1.510	50	20	DDGD	
COCC(C)(C)NCC(=O)NNC(=O)c1ccccc1Cl	178600424	NQWMEQHLNFDQJJ-UHFFFAOYSA-N	313.785	1.116	50	20	DDGD	
C=CCNc1ncc(C(=O)NNc2nccnc2Cl)s1	178547121	DOPSWNYQDFINQX-UHFFFAOYSA-N	310.770	1.941	50	20	DDGD	
CCCc1noc(CCCC(=O)NNC(=O)c2ccc[nH]2)n1	126951946	XJBYEROEIIRSNU-UHFFFAOYSA-N	305.338	1.134	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@H]([C@H](C)O)C1	127715771	NGIIFGUDFXCXRQ-STQMWFEESA-N	313.829	1.972	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cnn(CC3CC3)c2)n1	187403189	SBUPPHFRPBKVGO-UHFFFAOYSA-N	303.326	1.240	50	20	DDGD	
CCC(CC)n1nccc1C(=O)NNC(=O)c1c[nH]nc1C	125434628	ATTXIUBFCPNWAA-UHFFFAOYSA-N	304.354	1.351	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)NCc1ccco1)N1[C@H](C)CC[C@H]1C	129887537	SZRRCRBQDCUGSG-UTUOFQBUSA-N	308.382	1.371	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1c[nH]nc1-c1ccccc1F	127653598	WJDILPPFGDOXSL-UHFFFAOYSA-N	319.340	1.960	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cc(Cl)cc([N+](=O)[O-])c1	123281782	INUSBBDUCLVHFN-UHFFFAOYSA-N	311.660	1.934	50	20	DDGD	
COC(=O)C(C)(C)CNC(=O)/C(C#N)=C\c1ccc(O)cc1	185834242	WIENWNFSXMZPJN-WQLSENKSSA-N	302.330	1.615	50	20	DDGD	
O=C(C[C@@H]1C(=O)Nc2ccccc21)NNC(=O)c1ccccc1	125035184	MQVCOIMUQALUHS-ZDUSSCGKSA-N	309.325	1.574	50	20	DDGD	
CSC[C@H](C)C(=O)NNc1cccc(S(C)(=O)=O)c1	181118380	NFXJMIPJPWFYHL-VIFPVBQESA-N	302.421	1.532	50	20	DDGD	
CN(C)Cc1ccccc1CNS(=O)(=O)CCCCl	36881818	UVTXYGIFPDUELF-UHFFFAOYSA-N	304.843	1.797	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)CCCc2ccccc2)c(C)n1	180307992	OWPNRDWGUBPKTE-UHFFFAOYSA-N	312.373	1.877	50	20	DDGD	
CC(C)CS(=O)(=O)CCC(=O)NNc1ccnc(F)c1	182519094	KBHULFXEOPCNQH-UHFFFAOYSA-N	303.359	1.125	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)c1cccc(N(C)C)c1)C(C)C	74932334	CBWJCYOQEIJKQP-CQSZACIVSA-N	322.409	1.368	50	20	DDGD	
Cc1nn(C)c(C)c1CNC(=O)NNc1cc(Cl)ccn1	181399964	LPOQVKMCIVINOW-UHFFFAOYSA-N	308.773	1.912	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NNc1ccc2ccccc2n1	181095831	BSDNAVUAHOISRA-UHFFFAOYSA-N	307.375	1.503	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1cccc(Oc2cnccn2)c1	135346140	DWCQCJQCFJKGFR-UHFFFAOYSA-N	323.312	1.672	50	20	DDGD	
C#CCCCC(=O)NNC(=O)COc1ccccc1OCC	192039957	KLCMHDSKLIXSEG-UHFFFAOYSA-N	304.346	1.415	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNc1ccc([N+](=O)[O-])cc1	134206676	VDIUBIGIKLTWFD-UHFFFAOYSA-N	322.365	1.980	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc(OC)cc1C	48654541	ILLOINHEHLQBSB-VIFPVBQESA-N	300.380	1.359	50	20	DDGD	
CN(CC(=O)NNc1ccccc1[N+](=O)[O-])[C@@H]1CCSC1	133273210	RVYHXZZFTCWRFV-SNVBAGLBSA-N	310.379	1.475	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CSc2ccccn2)c1	133354143	MQNWMADPFBOTLD-UHFFFAOYSA-N	312.354	1.507	50	20	DDGD	
CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)NNC(=O)c1ccc[nH]1	92791852	YGEKWZZLPXAPJN-RTXFEEFZSA-N	322.409	1.798	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)CCCNC(=O)C2CC2)c1	93295492	LHHRTIUUYVSFGI-UHFFFAOYSA-N	321.768	1.356	50	20	DDGD	
Cc1c(NNC(=O)N[C@H](C)Cn2ccnc2)cccc1[N+](=O)[O-]	263965433	KGMGJSWSMIKNMA-SNVBAGLBSA-N	318.337	1.815	50	20	DDGD	
O=C(C[C@H]1CNCCO1)NNc1ccc(Cl)cc1[N+](=O)[O-]	269223794	KRGKCXDFYCDNOT-VIFPVBQESA-N	314.729	1.070	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@@H]1COc2ccccc2O1)C1CC1	263900486	RCJSWFZJKRGNJA-RNCFNFMXSA-N	321.402	1.120	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)NC2CC(C)C2)cc1	268034370	MXERZWBZLMILRB-UHFFFAOYSA-N	307.350	1.203	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCCC(C)(C)CO)n1	267966054	ZFLGDPHSCGUGIJ-UHFFFAOYSA-N	311.386	1.218	50	20	DDGD	
CO[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ccc(C#N)cc1	266622499	XRDCUWUZDXSOEI-UONOGXRCSA-N	316.361	1.460	50	20	DDGD	
CSC[C@@H](C)NC(=O)NNC(=O)COCc1ccccc1	265771111	HAIWVLIOYBGXFI-LLVKDONJSA-N	311.407	1.285	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	264300913	RXEPPWWLZYRPNY-ZDUSSCGKSA-N	320.349	1.230	50	20	DDGD	
COc1ccnc(NNC(=O)NCC2(OC)CCC(C)CC2)n1	279836934	QRPBFYWOVPLFES-UHFFFAOYSA-N	323.397	1.707	50	20	DDGD	
COc1ccc(NNC(=O)NCCC(=O)N2CCCCC2)nc1	275836295	BREUFONWESUIII-UHFFFAOYSA-N	321.381	1.119	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)C2CC2)cc(-n2cccn2)c1	279681355	DXTTZCILUAYEGQ-UHFFFAOYSA-N	315.333	1.444	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1nc(Br)cs1	275600478	KENBZLDIHUKLOX-UHFFFAOYSA-N	307.173	1.212	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H]1CCN(c2ccccc2Cl)C1	367689784	VWTCSSOMPHJKLL-SNVBAGLBSA-N	311.769	1.944	50	20	DDGD	
CCOC(C)(C)CNC(=O)NNC(=O)COc1ccc(C)cc1	275804200	PRHZXNHVQDFXCV-UHFFFAOYSA-N	323.393	1.519	50	20	DDGD	
CCCn1nc(C)c(C(=O)NNc2nc3ccccn3n2)c1C	276693659	GKVLANQSHNXVSN-UHFFFAOYSA-N	313.365	1.710	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)CC(C)(F)F)c1	277899123	RBEOETBNDXHODB-UHFFFAOYSA-N	300.305	1.875	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCc3ccsc3C2)n1	279608632	FJIFVYPLVUNXIN-UHFFFAOYSA-N	316.386	1.864	50	20	DDGD	
Cc1cnccc1C(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C	274705032	ORJNEEOPUBESPG-JTQLQIEISA-N	322.365	1.064	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccn1Cc1cccs1	272670797	KQNGWLMOUJPHAA-UHFFFAOYSA-N	306.391	1.904	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1O[C@@H](C)C[C@H]1C	282298798	WYVKYJAWFWPTRY-JRPNMDOOSA-N	306.362	1.199	50	20	DDGD	
O=C(NNc1cccc(F)n1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	376335727	VXDHRTIAALVNLG-BIMULSAOSA-N	306.341	1.804	50	20	DDGD	
O=C(NNC(=O)c1ccnc(C(F)(F)F)c1)c1ccncc1	809538203	KPINTYKSGXAPAR-UHFFFAOYSA-N	310.235	1.570	50	20	DDGD	
O=C(NC[C@@H](c1ccccc1)C1CC1)NNC(=O)[C@@H]1CCCO1	297506863	VSKRISJZGMFKGG-GJZGRUSLSA-N	317.389	1.690	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CCC(C)(C)[N+](=O)[O-])c1ccccc1	294714837	URLBGKTXKFJXQG-UHFFFAOYSA-N	321.377	1.947	50	20	DDGD	
CCc1nc(CNC(=O)NNc2ccc(Cl)c(F)c2)n[nH]1	297458868	KPJXJSOCMHHRPU-UHFFFAOYSA-N	312.736	1.986	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21	294092521	IPRIPJQBUNNGBX-LLVKDONJSA-N	305.309	1.199	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(F)c(N2CCCNC2=O)c1	806804999	RWRIHZLGAIJBSF-UHFFFAOYSA-N	323.328	1.308	50	20	DDGD	
O=C(CC1OCCCO1)NNc1ncccc1C(F)(F)F	801623189	CNKUVAWAIBDAMN-UHFFFAOYSA-N	305.256	1.697	50	20	DDGD	
NC(=O)Cc1occc1C(=O)NNc1cc(F)c(F)cc1F	802831589	RAXZLQCRNWUBHC-UHFFFAOYSA-N	313.235	1.482	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2csnn2)c(Cl)c1	802047326	BEIUURXNCKEOPW-UHFFFAOYSA-N	311.754	1.966	50	20	DDGD	
C=C(CBr)CN1CCC[C@@H](c2n[nH]c(=O)o2)C1	295262000	GZFZQIAJNZQIAK-SECBINFHSA-N	302.172	1.493	50	20	DDGD	
O=C(C[C@@H]1CCc2ccccc2C1)NNC(=O)N=c1cc[nH]cc1	802030105	XGSWWQTYRJNIHU-CYBMUJFWSA-N	324.384	1.851	50	20	DDGD	
CCc1cnc(NC(=O)C(=O)NNc2ncccc2F)s1	807301041	RODXKVOPTIAXMT-UHFFFAOYSA-N	309.326	1.321	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)CSc1ccccc1O	295432883	FURMQCNSYGUQEZ-NSHDSACASA-N	312.391	1.447	50	20	DDGD	
Cc1ccc([C@@H](C)NC(=O)NNC(=O)[C@@H]2CCCO2)cc1C	292017203	ZZUOYOKHUXHCDM-OCCSQVGLSA-N	305.378	1.874	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H]1Cc2ccc(F)cc21	802035331	FMIAWBRVKDNARS-CYBMUJFWSA-N	300.293	1.135	50	20	DDGD	
COc1ncncc1NC(=O)NNc1ccc([N+](=O)[O-])cc1C	806348997	BBVZDBLKAXIJAL-UHFFFAOYSA-N	318.293	1.850	50	20	DDGD	
NC(=O)Cc1occc1C(=O)NNc1cc(F)c(F)c(F)c1	802831179	QSZQRPXBOKSUTA-UHFFFAOYSA-N	313.235	1.482	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)COc1ccc(C)cc1	812449753	QVTIBJZJLTVHLY-CHWSQXEVSA-N	308.378	1.440	50	20	DDGD	
Cn1c(NNC(=O)CCN2CCCC2=O)nc2ccccc21	816580049	PZGBXYMRPMRIQG-UHFFFAOYSA-N	301.350	1.029	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1cc2c(s1)CCC2)n1cccn1	819008543	ZKRJONCJBFJYPK-JTQLQIEISA-N	318.402	1.846	50	20	DDGD	
O=C(NNc1ncncc1F)c1cccc(OCC(F)F)n1	817078358	ASDXHAQOKURZBM-UHFFFAOYSA-N	313.239	1.412	50	20	DDGD	
CCc1nn(C)c(OC)c1C=NNC(=O)CNc1ccccc1	814711522	MHZNBPPOQRLVQM-UHFFFAOYSA-N	315.377	1.553	50	20	DDGD	
CC(C)OC1CC(=NNC(=O)[C@H]2COc3ccccc3O2)C1	814701300	ULMIEDAABFHBKM-WPZCJLIBSA-N	304.346	1.886	50	20	DDGD	
Cc1nc2ccnn2c(C)c1CCC(=O)NNC(=O)CC1CC1	819126954	ZPVVAAZRNSTGPU-UHFFFAOYSA-N	315.377	1.226	50	20	DDGD	
CC(=NNC(=O)c1ccnc(N(C)C)c1)C1CCN(C)CC1	814844930	TZCWEFJXUDJJPA-UHFFFAOYSA-N	303.410	1.595	50	20	DDGD	
O=C(Cn1nnc2c1CCCC2)NNc1cccc(Cl)c1	816843787	BSSDBQYDKUVVBO-UHFFFAOYSA-N	305.769	1.954	50	20	DDGD	
CO[C@H]1CCC[C@H](C(=O)NNC(=O)c2ccc(C#N)cc2)C1	814407802	NPKFWNMOSFSUIF-KBPBESRZSA-N	301.346	1.524	50	20	DDGD	
O=C1CSc2cc(C(=O)NNC(=O)C3CCCC3)ccc2N1	810097011	AJVKMUXLUXLQIZ-UHFFFAOYSA-N	319.386	1.682	50	20	DDGD	
C[C@@H](CC(=O)NNc1cccc(S(C)(=O)=O)c1)n1cccn1	819468009	LSCQSUDPXGMQLN-NSHDSACASA-N	322.390	1.381	50	20	DDGD	
O=C(NN=Cc1cscc1C(F)(F)F)C(=O)NC1CC1	811636392	GDNTXHUAXFJMHA-UHFFFAOYSA-N	305.281	1.496	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNc1nc(O)c2ccccc2n1	812533686	IQMPQCOFVKZBLN-VHSXEESVSA-N	304.350	1.697	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2c[nH]c(C(=O)O)c2)cc1	814767960	BHSJSAHUEPPQGG-UHFFFAOYSA-N	314.301	1.110	50	20	DDGD	
O=C(NN=Cc1cccc(O)c1O)Nc1ccc2c(c1)OCO2	814994408	OLBJDWWFEPVQAC-UHFFFAOYSA-N	315.285	1.982	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2scnc2C)cn1	729645579	IMYRNJGZSFYKHE-UHFFFAOYSA-N	323.403	1.487	50	20	DDGD	
N#C[C@H]1CC[C@@H](NC(=O)NNC(=O)c2c[nH]c3ccccc23)C1	823886857	XOBVVVSUHSFZFN-WDEREUQCSA-N	311.345	1.804	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1	823907574	NFQJKODKRDGLJU-BFHYXJOUSA-N	321.421	1.258	50	20	DDGD	
CCN(CCO)NC(=O)Cc1c(C)nc2ccccc2c1C	823842015	OJVDCUAXBARJNR-UHFFFAOYSA-N	301.390	1.740	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cc3ccccc3o2)CO1	826131226	OBHGSUVWSPSVSW-KOLCDFICSA-N	303.318	1.554	50	20	DDGD	
N#Cc1ccc(N2CCC[C@@H]2C(=O)NNc2ncccn2)cc1	728171530	NTEGDYKTEFVOAX-CQSZACIVSA-N	308.345	1.460	50	20	DDGD	
C#CCNC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1ccc(OC)cc1	822629306	FBCBXLFKWWGFLP-XTCQQWIJSA-N	312.325	1.283	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(Cl)c(F)c(C(=O)OC)c1	497180202	UJFMXPNDBCRJHM-UHFFFAOYSA-N	319.676	1.658	50	20	DDGD	
COC(=O)NNC(=O)c1nc2ccccc2cc1Br	496202148	ZOSYVBZFTREGRS-UHFFFAOYSA-N	324.134	1.998	50	20	DDGD	
CC[C@H](C)C=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	825060960	VIIMQEBVGYEOIR-JTQLQIEISA-N	302.338	1.394	50	20	DDGD	
CCCONC(=O)NNC(=O)c1cc(-c2ccc(C)cc2)[nH]n1	828247726	ZLLZMYNMYXVVLQ-UHFFFAOYSA-N	317.349	1.671	50	20	DDGD	
O=C(NNc1ccccc1Cl)c1ccc(-c2nn[nH]n2)cn1	826449538	XZDMCIUTEPUKSH-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
Cc1ccc2c(c1)N(CC(=O)NNC(=O)C(C)C)C[C@H](C)O2	827969970	YKMBHUQMTOHNQK-LBPRGKRZSA-N	305.378	1.386	50	20	DDGD	
Cc1cn(-c2ccccc2Cl)nc1C(=O)NN(C)[C@H](C)CO	823939608	MRHAHNLOYDMRAE-LLVKDONJSA-N	322.796	1.792	50	20	DDGD	
C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc2ccccc2c1	728436380	NTWNRDYLTOBTJP-LLVKDONJSA-N	319.386	1.228	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccn(-c2ccc(Cl)cc2)n1	823939382	JYGKXVRDSIDECD-JTQLQIEISA-N	308.769	1.483	50	20	DDGD	
O=C(NNS(=O)(=O)c1sccc1Cl)C1CCCC1	829705144	UEYNEJLHQZUKJR-UHFFFAOYSA-N	308.812	1.901	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@@H]3CC(=O)N(C)C3)nc12	828367690	VEEKIJUUAODLIG-SECBINFHSA-N	304.375	1.526	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1cccc(N2CCOC2=O)c1	494554531	KINZUDLXAGHUPA-UHFFFAOYSA-N	320.349	1.842	50	20	DDGD	
CCOc1cc(Cl)ccc1CNCc1cccc(B(O)O)c1	585030425	RZUAPBDJPCZFKR-UHFFFAOYSA-N	319.597	1.708	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1csc(-c2cnccn2)n1	728269844	ZNDKMVLJQKWJTM-UHFFFAOYSA-N	320.378	1.344	50	20	DDGD	
CCS(=O)(=O)CCCNC(=O)/C(C#N)=C/c1ccc(F)cc1	490972900	KXJIGBPYFWHNPQ-JLHYYAGUSA-N	324.377	1.674	50	20	DDGD	
CC(C)[C@](C)(O)C(=O)NNC(=S)NCCc1cccs1	820171288	LARUUBJGTGZNPZ-ZDUSSCGKSA-N	315.464	1.193	50	20	DDGD	
COCCOc1ccc(NCc2cccc(B(O)O)c2)c(C)c1	585012446	YLLPQIDQQKOFTI-UHFFFAOYSA-N	315.178	1.312	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)Cn2cnc3ccccc32)CC=CCC1	822198491	XAKHZOSCPBJXSC-QGZVFWFLSA-N	312.373	1.930	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)ncn1	496094951	SGLOOTDEWSCGDO-GHMZBOCLSA-N	323.397	1.777	50	20	DDGD	
CC(C)(C(=O)NNc1nc2ccccn2n1)N1CCCCC1	907699197	YCQZCTQSQQKQHY-UHFFFAOYSA-N	302.382	1.437	50	20	DDGD	
Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CC[C@@H](B(O)O)C1	585076810	ZPMMQODUZNFIAC-GHMZBOCLSA-N	311.574	1.491	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C(C)(C)Nc1ccccc1	905345234	FNSBOJPCSMYIMW-UHFFFAOYSA-N	300.362	1.677	50	20	DDGD	
O=C(/C=C\c1cccc(O)c1)NNC(=O)c1ccc(Cl)nc1	492680360	XKLFACRTBQBRDT-DAXSKMNVSA-N	317.732	1.915	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2cc(C)on2)cc1OC	733909211	FBGHWYSWNATSIZ-UHFFFAOYSA-N	319.317	1.004	50	20	DDGD	
CC(C)(C)OC(=O)NNS(=O)(=O)c1ccc2c(c1)COC2	495363647	ZQJYDTNTHJWLEX-UHFFFAOYSA-N	314.363	1.435	50	20	DDGD	
Cc1ccc(-c2[nH]ncc2C=NNC(=O)CN2CCCC2=O)o1	839403335	FFSXHSQWVRIYPV-UHFFFAOYSA-N	315.333	1.051	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H](C2CCC2)C2CC2)n1	838745490	UWXWSPFRVXCCKV-HNNXBMFYSA-N	319.409	1.409	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H](C3CCC3)C2)c1	839679510	HKHGZUHNLUTQRC-MRXNPFEDSA-N	315.417	1.878	50	20	DDGD	
COCCN(CC(=O)NNC(=O)C(C)(C)C)c1ccccc1	832064925	CAHWJNJWPKTRFD-UHFFFAOYSA-N	307.394	1.333	50	20	DDGD	
O=C(CN1CCOCC1=O)NNc1cccc(Cl)c1Cl	838348919	KTNDEXCHHNFJAZ-UHFFFAOYSA-N	318.160	1.295	50	20	DDGD	
CN(NC(=O)Cc1n[nH]c2c1CCCC2)C(=O)OC(C)(C)C	838371174	DOBKRJRAZBCXDP-UHFFFAOYSA-N	308.382	1.729	50	20	DDGD	
CC1(C)CCc2cc(C=NNC(=O)c3ncon3)ccc2O1	901284887	BXIDRFKBXUVLRF-UHFFFAOYSA-N	300.318	1.937	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)NNc1cccc(Br)n1	837210418	NOZWGLNIDCVCBP-UHFFFAOYSA-N	315.171	1.202	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C[C@@H]2CCOC2)cc1	739535243	XSOKEFCPPCPOIK-ZDUSSCGKSA-N	306.362	1.202	50	20	DDGD	
O=C(COc1cccc([N+](=O)[O-])c1)NNC(=O)CC(F)(F)F	918366776	VOXDKHJQUIUGTQ-UHFFFAOYSA-N	321.211	1.073	50	20	DDGD	
CON(C)C(=O)CCC(C)=NNC(=O)COc1ccccc1O	834982437	BQZPUYUGJMNNJM-UHFFFAOYSA-N	323.349	1.063	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NC[C@H]1CC1(C)C	732893462	PQTMRWWPNYWFHS-WDEREUQCSA-N	323.368	1.970	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCCCCCN1CCCC1	838619848	QDEOEPMREBXBKD-UHFFFAOYSA-N	324.347	1.535	50	20	DDGD	
CCC[C@H](C)NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1cnn(C)c1	837969480	OFDZWIUBAINWFW-KMNMOCJZSA-N	318.377	1.564	50	20	DDGD	
Cc1cc(NNC(=O)NCCCn2cncn2)ccc1Cl	914009074	YIJHETJCWGMOFQ-UHFFFAOYSA-N	308.773	1.956	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C/C1CCCC1	830787662	HYNBGKGOAZJFBF-IDVQTMNDSA-N	310.394	1.858	50	20	DDGD	
Cc1cnc(C=NNC(=O)[C@H](C)CN2C[C@H](C)O[C@H](C)C2)o1	834934574	OIRFJUJFZSUTKQ-RTXFEEFZSA-N	308.382	1.178	50	20	DDGD	
CO[C@@H]1COCC[C@@H]1CNC(=O)NNc1cccc(C#N)c1	838658003	GQXRXVGEVXXKHK-TZMCWYRMSA-N	304.350	1.236	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)no1	743814673	ACIOXPLRLJXHRA-UHFFFAOYSA-N	321.249	1.063	50	20	DDGD	
Cc1nc2cc(F)cc(C(=O)NN(C)C[C@@H](C)O)c2nc1C	910169838	GYCRULFYTZPRGS-MRVPVSSYSA-N	306.341	1.343	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@H]1CCCN1C1CCCC1	749207580	HWYXQDLBVZTMEV-SNVBAGLBSA-N	307.316	1.493	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCOc1ccccc1F	843977014	SOYTZLMXPWRVOF-MNOVXSKESA-N	310.325	1.167	50	20	DDGD	
C/C(=C\c1ccc(C)cc1)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843656780	NLGAQVDRZSPWIN-YLNVSZPXSA-N	302.374	1.971	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H](C)COCC2CC2)n1	845582610	PFUMYKXERPRONL-SNVBAGLBSA-N	309.370	1.235	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=Cc1cccc(O)c1O	916324292	VEKGOUZDXNHVES-UHFFFAOYSA-N	311.297	1.499	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1ccc(/C=C\C(=O)OC)o1	848639592	WKJUTUVDARGACW-QEYVUMQQSA-N	305.286	1.562	50	20	DDGD	
CCCCOc1ccc(C=NNC(=O)C(N)=O)cc1OCC	916273781	AZWFLCKKIXTNCB-UHFFFAOYSA-N	307.350	1.200	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc3nnc(C)n3c2)n1	748338826	JSVYTTSHMBLVGL-UHFFFAOYSA-N	317.740	1.546	50	20	DDGD	
COc1ccnc(NNC(=O)CCc2cccc(F)c2F)n1	749851121	QSQIWWLCZPNALB-UHFFFAOYSA-N	308.288	1.839	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1[N+](=O)[O-]	843653873	OULOSQVZHWAWMC-BXKDBHETSA-N	321.333	1.343	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cc(F)cc(OC)c2)nc1	748895645	GXWBJDJUIUVEBD-UHFFFAOYSA-N	319.292	1.773	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1ccc2c(c1)CCCN2	842000738	IPUMKDAIGNLKGI-UHFFFAOYSA-N	304.394	1.921	50	20	DDGD	
CCCCNC(=O)NNC(=O)CSc1nnc(S)s1	747365861	DLRYDEDAOSBNCB-UHFFFAOYSA-N	321.453	1.049	50	20	DDGD	
CCCN1CCC[C@H]1C(=O)NNC(=O)c1cccc(Cl)n1	912507977	QEMASMBDDWSJJN-NSHDSACASA-N	310.785	1.370	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(Cl)c1	844572437	FACOBDAYGNMCST-LLVKDONJSA-N	314.794	1.533	50	20	DDGD	
C[C@@]1(C(=O)NNc2ncc(Br)cn2)CCCOC1	848322350	YBTVXWSKCQTECV-LLVKDONJSA-N	315.171	1.499	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CCCn3ccnc32)cc1	848401760	INADODWDWUWNHT-UHFFFAOYSA-N	311.345	1.444	50	20	DDGD	
CCCNC(=O)NNC(=O)COCc1nc2ccccc2s1	921042381	QNJHXCWZLSMALM-UHFFFAOYSA-N	322.390	1.553	50	20	DDGD	
Cc1cccn2cc(CCNC(=O)NNc3ncccn3)nc12	746776502	VJWRCUOZYXHPSG-UHFFFAOYSA-N	311.349	1.302	50	20	DDGD	
C[C@@H](CCCCN)NC(=O)NNC(=O)c1ccc(Cl)cc1	841995040	LCAFWMQMQNSHJK-JTQLQIEISA-N	312.801	1.802	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)c1)N[C@@H]1CCCNCC1	841977876	LNNNRHVPKADMHC-GFCCVEGCSA-N	310.785	1.426	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CCC[C@@H](CO)[C@H]1C	841574762	GLEBQDCFCANZQH-OLZOCXBDSA-N	305.378	1.442	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)N[C@H](C)C1CCCCC1	748635157	OGKQOKTUDUQAPF-NEPJUHHUSA-N	315.414	1.337	50	20	DDGD	
CCO[C@H]1COCC[C@H]1NC(=O)NNc1ccc(F)c(F)c1	921958526	ZVICGUHKMNFLLR-OLZOCXBDSA-N	315.320	1.785	50	20	DDGD	
Cc1nn(C)c2ncc(C=NNC(=O)CNc3ccccc3)cc12	747607220	JKHSWIWVRZFFRO-UHFFFAOYSA-N	322.372	1.839	50	20	DDGD	
Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NNC(=O)NC1CCCC1	843778157	UOVQPODFTSJJNH-UHFFFAOYSA-N	324.312	1.929	50	20	DDGD	
COc1cc(C(=O)NNC(=O)NC2CC2)cc2c1O[C@H](C)C2	920766477	DFIGVHQNJAAPNC-MRVPVSSYSA-N	305.334	1.125	50	20	DDGD	
O=C(Cc1ccc(O)c(F)c1)NNC(=S)NCC1CCC1	855092964	VFAXHIURZRWMRG-UHFFFAOYSA-N	311.382	1.369	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1scnc1Cl)C1CC1	855102916	ODSDDZDXDGSHFO-RXMQYKEDSA-N	304.828	1.704	50	20	DDGD	
C#CCOCCNC(=O)NNc1cccc(C(=O)OC)c1C	853985161	YDOKVOMGQNKARL-UHFFFAOYSA-N	305.334	1.058	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)c2cnccn2)cccc1[N+](=O)[O-]	755404177	BQAWJHNLVYUARI-UHFFFAOYSA-N	316.277	1.160	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C\c2ccccc2-n2cncn2)n1	759086162	QTSOZBSOFWNCEQ-JYRVWZFOSA-N	319.328	1.546	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](NC(C)=O)C(C)C)c1C	855628567	ZVFOFSKOOACNES-CQSZACIVSA-N	321.377	1.385	50	20	DDGD	
CCc1nc(CNC(=O)NC[C@]2(C)C[C@H]2Br)n[nH]1	856907931	IHPACKOPFLSNDF-HQJQHLMTSA-N	316.203	1.340	50	20	DDGD	
COCCN(CCOC)C(=O)NC[C@]1(C)C[C@@H]1Br	856754143	CLEXZTCRXCSVEV-JQWIXIFHSA-N	323.231	1.464	50	20	DDGD	
CN(C[C@H](O)C1CC1)C(=O)NC[C@@]1(C)C[C@@H]1Br	856953376	KWGXICAUMVDCLD-JBLDHEPKSA-N	305.216	1.572	50	20	DDGD	
CN(CC(=O)NNc1ccnc(Cl)c1)[C@@H]1CCSC1	855465692	UUDOZPJCQSMLNB-SNVBAGLBSA-N	300.815	1.615	50	20	DDGD	
COc1ccc(CN2CCC(=NNC(=O)N(C)C)C2=O)cc1	853296563	NTWVGRKALXCEFE-UHFFFAOYSA-N	304.350	1.055	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cn(C)nc1C1CC1)C1CC1	855096441	BALJMSKQPAEYGY-QMMMGPOBSA-N	307.423	1.205	50	20	DDGD	
CNC(=O)c1ccc(C)c(NC(=O)NNC(=O)C2CCCC2)c1	755661282	ALKLRDUSXARQPK-UHFFFAOYSA-N	318.377	1.698	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cccc(C(C)C)n1	854282755	SWKRFSCNRAPQMM-UHFFFAOYSA-N	324.450	1.693	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=Cc1ccc(O)c(F)c1	755540126	FNCPOWGRBBAWML-UHFFFAOYSA-N	313.288	1.932	50	20	DDGD	
CC(C)C#CC(=O)NNC(=O)CSc1ccccc1[N+](=O)[O-]	855012199	YKXZRWZICIABQG-UHFFFAOYSA-N	321.358	1.494	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cccc(F)n2)c(C(C)(C)C)n1	856423215	NZASOZMCLZLDFW-UHFFFAOYSA-N	319.340	1.327	50	20	DDGD	
CC[C@H](C)n1nc(NC(=O)NNC(=O)c2cnn(C)c2)cc1C	757910716	NSCKKKUFDUCXDZ-VIFPVBQESA-N	319.369	1.363	50	20	DDGD	
Cc1nnc([C@H](C)N[C@@H](C)C(=O)NNC(=O)CC(C)C)s1	759886074	KXNZHZNKECNCEA-IUCAKERBSA-N	313.427	1.079	50	20	DDGD	
CNC(=S)N(C)NC(=O)C1(c2c(F)cccc2F)CCC1	854927256	ANCJMHSJHUFDOF-UHFFFAOYSA-N	313.373	1.854	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@H]2C=NNC(=O)[C@@H]2CCCOC2)cn1	853358531	DGSFAUWAWAGNNY-GZBFAFLISA-N	320.393	1.509	50	20	DDGD	
COc1cc(NCc2cccc(B(O)O)c2)cc(Cl)c1OC	864042151	YDYJKTSARTUFBA-UHFFFAOYSA-N	321.569	1.649	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)C1CC1)c1cc(F)ccc1OC	932475044	RGZBCMVXIUATMJ-CYBMUJFWSA-N	323.368	1.432	50	20	DDGD	
COc1ccc(CCC=NNC(=O)[C@H]2CCC(=O)N2)c(C)c1	863152040	CMQRWZLIJHOGPH-CQSZACIVSA-N	303.362	1.317	50	20	DDGD	
CCSc1cccc(NC(=O)C(=O)NNC(=O)C(C)C)c1	763817106	ABUXNIGAUIJZFK-UHFFFAOYSA-N	309.391	1.541	50	20	DDGD	
CCN1C[C@@H](C)N(C(=O)NNC(=O)c2ccccc2C)C[C@H]1C	765645530	VNIXQVCRZDLFFB-ZIAGYGMSSA-N	318.421	1.764	50	20	DDGD	
O=C(CCCCO)NNC(=O)c1c(Cl)cccc1Cl	865145045	ZXHOSVUYGALQPN-UHFFFAOYSA-N	305.161	1.917	50	20	DDGD	
CCc1ccc(O)c(C(=O)NNC(=O)C(=O)NC(CC)CC)c1	769912073	SEWGKERQYVTDRJ-UHFFFAOYSA-N	321.377	1.020	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc(C(OC)OC)o2)n1	769690109	VLYQHFGKFGZIAP-UHFFFAOYSA-N	308.294	1.127	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)C(=O)Nc1ccc(F)c(F)c1	764070038	HYVOSXJMXQHUPZ-UHFFFAOYSA-N	311.288	1.241	50	20	DDGD	
Cc1n[nH]c(C)c1CCC(=O)NNCC(F)(F)C(F)(F)F	863092125	GGJGFQFNPNEZMH-UHFFFAOYSA-N	314.258	1.778	50	20	DDGD	
COCCC(=NNC(=O)Cc1ccncc1)C1CCOCC1	764909093	RICGLVOSTDYCBS-UHFFFAOYSA-N	305.378	1.559	50	20	DDGD	
COc1ccc(OCCCC(=O)NNC(=O)c2cn[nH]c2)cc1	862474745	ZIOWEGPMMCPSIR-UHFFFAOYSA-N	318.333	1.039	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2cc1O)c1cncnc1	761040434	GPPCQZFNLMMAMI-UHFFFAOYSA-N	308.297	1.410	50	20	DDGD	
O=C1NCC[C@]1(C(=O)NNc1ncccc1Cl)C1CCCC1	863874883	CZJQESGIAUSLQO-HNNXBMFYSA-N	322.796	1.875	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccccc1Oc1ccccc1	763515873	VRWVKIZYESCKGH-UHFFFAOYSA-N	313.313	1.585	50	20	DDGD	
CC(C)N(C)c1ccc(NCc2ccccc2B(O)O)cc1F	864020182	IFBMXDNAZLAPKB-UHFFFAOYSA-N	316.185	1.962	50	20	DDGD	
CC(C)(C)S(=O)(=O)CC(=O)NNc1nc2ccccc2[nH]1	768495800	PBVORHLHJWBZKV-UHFFFAOYSA-N	310.379	1.219	50	20	DDGD	
O=C(NCC(F)F)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	767636173	CESRJDMWYIZCHO-UHFFFAOYSA-N	322.655	1.073	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2ccc3nnc(O)n3c2)c1	763097404	DCDNODQSJIRKKF-UHFFFAOYSA-N	301.281	1.639	50	20	DDGD	
Cc1nn(CC(F)(F)F)cc1C(=O)NNC(=O)NC(C)C	763313293	RCBKFJVDGRPMCH-UHFFFAOYSA-N	307.276	1.106	50	20	DDGD	
COC1(C=NNC(=O)Cn2cnc3ccccc32)CCOCC1	761748938	KPGJEYYGXZCTFS-UHFFFAOYSA-N	316.361	1.334	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)N[C@H]2CC23CCC3)cc1	876426740	KSPJCJVGHTYWML-ZDUSSCGKSA-N	319.361	1.347	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNC(=S)Nc1cccc(C)c1	873776199	AEBUYNXTYZWAEU-LBPRGKRZSA-N	323.418	1.902	50	20	DDGD	
CC(C)[C@@H]1CC(=NNC(=O)CNC(=O)c2cccs2)CCO1	776768092	ZQLHQJAAMPTMQR-LBPRGKRZSA-N	323.418	1.785	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@@H]1CCc2cc(O)ccc2C1	775071494	AXCRHTGZPQTHIV-CYBMUJFWSA-N	303.362	1.380	50	20	DDGD	
CC(=NNC(=O)[C@H]1COc2ccccc2O1)[C@H]1CCCOC1	779757969	NJSYIUKSRVFOMQ-SWLSCSKDSA-N	304.346	1.745	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cccc(-n2ccnn2)c1	772891401	RQYBNTJZNNNCOT-UHFFFAOYSA-N	323.360	1.938	50	20	DDGD	
CCN1C(=O)C[C@@H](C(=O)NNC(=O)OC)[C@H]1c1cccc(C)c1	878000616	JXJYRIJVPMACQR-TZMCWYRMSA-N	319.361	1.292	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)c1cccc(=O)n1C	777477026	ZIMCQBNOEXMWMT-UHFFFAOYSA-N	308.341	1.999	50	20	DDGD	
CC(C)[C@@](C)(O)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	770207883	IJOAUJPWUSAYKL-MRXNPFEDSA-N	303.362	1.265	50	20	DDGD	
CSc1cccc(C)c1NC(=O)NNC(=O)c1cnccn1	771285898	CMIVIBAFYSBBJA-UHFFFAOYSA-N	317.374	1.973	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNc1ccc(Br)nc1	771383990	LNMRFTJPOJITPE-IONNQARKSA-N	300.156	1.712	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@H]2CC[C@@H](C)C2)nc1C	778425588	BUQDELPCSVQXQQ-KOLCDFICSA-N	306.366	1.841	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C2(CO)CCOCC2)c1	873776890	HZVHOKLZZQDGAK-UHFFFAOYSA-N	323.418	1.102	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1cncn1Cc1ccccc1	887148308	WWBCGVRLVWXFTN-UHFFFAOYSA-N	324.384	1.425	50	20	DDGD	
C#CCSCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	887642136	OURULPCZPKVFQC-UHFFFAOYSA-N	306.431	1.717	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccnc(F)c2)c(F)c1	773744286	JMNFEDHZVBWLSI-UHFFFAOYSA-N	307.256	1.903	50	20	DDGD	
CC(C)C[C@H](C)OCCC(=O)NNC(=O)C1CCOCC1	883065329	IFXPGBYQGFLWBS-LBPRGKRZSA-N	300.399	1.402	50	20	DDGD	
Cc1ccc(C2(C(=O)NNC(=O)c3cccnn3)CCC2)cc1	882056315	PVYCTANFWYFHJF-UHFFFAOYSA-N	310.357	1.668	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)C(=O)Nc2ccc(C)nc2O)c1	784884541	XWRLZAITCSRPEQ-UHFFFAOYSA-N	318.308	1.625	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2CC[C@H](C)C2)cc1OC	780799980	NLOPOSPUOKGHJW-CMPLNLGQSA-N	321.377	1.836	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NNc1cc(F)ccc1F	885144463	DJRAFTHYMCBJBM-JTQLQIEISA-N	300.309	1.635	50	20	DDGD	
CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)CCCCl	881964353	NXLJDDWXRSQARQ-JTQLQIEISA-N	311.831	1.751	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@@H]1CCCN1C1CC1	787283008	LSRGWCSAQZXGDT-HNNXBMFYSA-N	301.390	1.393	50	20	DDGD	
C[C@@H](CCc1ccc(F)cc1)C(=O)NNC(=O)c1cccnn1	882055923	HOTUHWQQDVNJMB-NSHDSACASA-N	316.336	1.646	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)C1CCS(=O)(=O)CC1	885125722	WQAKSBZERIMIRZ-UHFFFAOYSA-N	316.810	1.916	50	20	DDGD	
CCc1nc(C(=O)NN=c2cc[nH]cc2)nn1-c1ccccc1	780759918	QNOBDXOQCJEGTB-UHFFFAOYSA-N	308.345	1.404	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@H](O)C1CCCCC1	783507403	HXUIERLMEIWVJB-HNNXBMFYSA-N	324.808	1.971	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCC(=O)Nc2ccccc21	783854818	CKTSHTHWBRLYAQ-NSHDSACASA-N	319.361	1.291	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@H]2CCN2C(C)(C)C)n1	896996502	WNKLPLCJPIIMHR-GFCCVEGCSA-N	320.441	1.639	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@H](C(=O)NNc2nc3ccccc3[nH]2)C1	788003346	GRUGLPPPJOJILE-ZJUUUORDSA-N	301.350	1.298	50	20	DDGD	
COCc1ccc(NC(=O)C(=O)NCCSSC)cc1	793078183	CPWMRQDSZVHODQ-UHFFFAOYSA-N	314.432	1.899	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Cc1ccn(CC(F)(F)F)n1	891771923	JWZOYJSLUJIEPE-UHFFFAOYSA-N	322.287	1.544	50	20	DDGD	
C[C@@H]1CC[C@@H](CNC(=O)NNC(=O)COc2ccccc2F)C1	792777009	MKYUWRZLUUBSBT-VXGBXAGGSA-N	323.368	1.971	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc(OC(F)F)cn2)n1	794079769	BEOPBXKTEDKVIT-UHFFFAOYSA-N	322.271	1.461	50	20	DDGD	
Cc1cccnc1NNC(=O)C1=NN(CC(C)C)C(=O)CC1	791225584	ODHYIAUCQLULCE-UHFFFAOYSA-N	303.366	1.468	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2cccc([N+](=O)[O-])c2C)nn1	790563640	FTPMNPPPUTWWBD-UHFFFAOYSA-N	316.321	1.828	50	20	DDGD	
CN(C)c1ccc(C(=O)NNc2nc3ccccn3n2)cc1F	791243745	VAWRXQPLYVCWPZ-UHFFFAOYSA-N	314.324	1.691	50	20	DDGD	
C[C@H]1CCC[C@H]1CNC(=O)NNC(=O)COCc1ccccc1	798512515	LJPWTGNRWVKJNR-ZFWWWQNUSA-N	319.405	1.970	50	20	DDGD	
COc1cc(OC2CC2)ccc1C(=O)NNC(=O)C1CCC1	790623698	QZUJNPZQFQUNTR-UHFFFAOYSA-N	304.346	1.798	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)Cc2ccncc2)[nH]c1C	799482163	PRYAEDGERKKUPT-UHFFFAOYSA-N	314.345	1.588	50	20	DDGD	
CN(Cc1ccc(C(N)=O)cc1)S(=O)(=O)CCCCl	37842553	PXOGZTDDBKNUTL-UHFFFAOYSA-N	304.799	1.176	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1nc(-c2ccccc2)c[nH]1	1318910795	PVTYGPNNBGHFLV-GFCCVEGCSA-N	316.361	1.578	50	20	DDGD	
CN(C)C(=O)NNC(=O)CCc1nnc(-c2ccsc2)o1	1318036853	HACHBCXOBDRJRL-UHFFFAOYSA-N	309.351	1.033	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@@H]2CCOC[C@@H]2C)cc1	1324990405	UUCLGWQPDVHCBP-AAEUAGOBSA-N	321.377	1.312	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCCC2)cc1)C(=O)NC1CC1	1322857252	ZQWCEBMMZLPQJE-UHFFFAOYSA-N	300.362	1.016	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)c2ccc[nH]2)c(C)c1	1321010101	KNKWDLOBMOFAOE-UHFFFAOYSA-N	316.317	1.576	50	20	DDGD	
O=C(NC[C@@H]1C[C@H]2C=C[C@H]1C2)NNC(=O)c1ccccc1F	1333842008	SINAVENUCHXPRQ-SRVKXCTJSA-N	303.337	1.982	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H](C)CC(C)(C)OC)cc1	1252356631	UNEWKFNLRNYEJV-NSHDSACASA-N	323.393	1.843	50	20	DDGD	
CC1(C)Cc2cccc(S(=O)(=O)NNC(=O)C3CCC3)c2O1	1339901027	IBHPQWWTSCWLIE-UHFFFAOYSA-N	324.402	1.510	50	20	DDGD	
CSCC[C@H](NC(=O)c1cccc(CCl)c1)C(N)=O	1337360272	CSNZPAALHDCWAN-NSHDSACASA-N	300.811	1.762	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)c3sccc3Cl)nc21	1340981918	SLASFUJBUNKOGK-UHFFFAOYSA-N	324.753	1.541	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1noc2c1CCCC2	1348387767	OSJQDOHQXSLKJZ-UHFFFAOYSA-N	315.420	1.619	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1ccc2c(c1)CCO2	1346094556	ZMLMHIRXLQPPTB-FZMZJTMJSA-N	318.373	1.127	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(C(C)(C)C)cc1)c1nnnn1C	1348017953	GXTARABWVHMZAE-JTQLQIEISA-N	317.397	1.895	50	20	DDGD	
CC(=O)c1ccc(N(C)[C@H](C)C(=O)NNC(=O)CC(C)C)cc1	1262020078	NUHDQDCFUFYJKD-GFCCVEGCSA-N	319.405	1.907	50	20	DDGD	
Cc1cc(C=NNC(=O)CCOc2ccccc2)[nH]c1C(=O)O	1600185035	DCAJXQMCJRUXST-UHFFFAOYSA-N	315.329	1.941	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNc1cccc(-c2nn[nH]n2)c1	1603998953	HKXBRLSDKFLFQJ-BXKDBHETSA-N	304.354	1.371	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)c(F)c1)c1ccc2nccn2c1	1601556221	DCXKDWMEEZSPIW-UHFFFAOYSA-N	314.276	1.929	50	20	DDGD	
CN1CCC[C@H](CCNC(=O)NNc2cccc(C(=O)O)c2)C1	1606222932	KLYQPNLGYZDAJW-GFCCVEGCSA-N	320.393	1.743	50	20	DDGD	
Cn1nc(C(=O)NNc2cccc(F)c2C(=O)O)cc1Cl	1600998620	ICLMSBZIELQVAR-UHFFFAOYSA-N	312.688	1.668	50	20	DDGD	
Cc1oc(C(=O)O)cc1C(=O)NNc1nncc(N)c1Cl	1600827536	KZSCTZCMRDKMCQ-UHFFFAOYSA-N	311.685	1.069	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)CC2(C)CC2)o1	1603407100	NUZGFLCHARLASA-UHFFFAOYSA-N	305.342	1.611	50	20	DDGD	
O=C(O)C[C@@]1(NCCCI)CCOC1	1601934790	KYXXZLGFRPEGHP-VIFPVBQESA-N	313.135	1.035	50	20	DDGD	
C=CCCC[C@@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)O	1602863351	NTJAITSSDIHCQR-BWODNOAJSA-N	302.334	1.253	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NNc1cccc(C(=O)O)c1F	1600994337	PHSHDBOQJKAWPW-NXEZZACHSA-N	318.308	1.504	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C(=O)NN=C[C@H]1CCCOC1	1549312963	DGCHNVSSPPETFO-HZSPNIEDSA-N	320.393	1.416	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@@H]2CCCO[C@@H]2c2ccnn2C)CN1C	1549320552	OIMUYJPMBRQOLY-KYOSRNDESA-N	319.409	1.084	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)c1cc2c(o1)CCCC2	1548525090	BNIVRWHVAOKXDQ-UHFFFAOYSA-N	305.359	1.998	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@@H]1C=NNC(=O)[C@H]1CC[C@@H](C)O1	1552762259	BRGDCOGFVBXEGV-AAVRWANBSA-N	320.393	1.650	50	20	DDGD	
C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](F)Cl)n[nH]1	1818044221	YLRALKVVCBBPOE-CABZTGNLSA-N	312.732	1.569	50	20	DDGD	
CCOCc1nc(C)cc(NNC(=O)c2cc(N)ccc2C)n1	1578127170	OSCXXSBHEWTLTH-UHFFFAOYSA-N	315.377	1.969	50	20	DDGD	
CCCNNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1	1577574738	QAYDEHNROWULTE-UHFFFAOYSA-N	316.155	1.931	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CC3CC2(CN)C3)cc1	1578174046	MTRVJOKXCAXHBA-VIZOYTHASA-N	311.385	1.942	50	20	DDGD	
CC(C)[C@H](C(=O)O)C(=O)NNC(=O)CCCc1ccccc1	1588807841	HSVVKSRNVYBOPN-AWEZNQCLSA-N	306.362	1.514	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)O)C[C@@H]12	1589740724	DUESGIUPLWGHKC-DBIOUOCHSA-N	311.382	1.252	50	20	DDGD	
C[C@H](C(=O)NNc1ncccc1C(=O)O)N1CCCCCC1	1588557541	USKKRVSGQLYFIZ-LLVKDONJSA-N	306.366	1.487	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1cc2c(s1)CCNC2	1580742927	KFHMJJUUKBSXED-UHFFFAOYSA-N	319.346	1.454	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1589582367	LVRVMIJNRPDXIR-UHFFFAOYSA-N	302.338	1.064	50	20	DDGD	
COCCN(CC(C)C)NC(=O)c1ccc(OCC(=O)O)cc1	1594000360	WQCFPJDIDPBIIL-UHFFFAOYSA-N	324.377	1.399	50	20	DDGD	
CC1(C=NNC(=O)COc2ccccc2-c2nn[nH]n2)CC1	1590121152	YTUFHVRDSAUWEW-UHFFFAOYSA-N	300.322	1.148	50	20	DDGD	
C[C@@H](CCN(C)C)NC(=O)NNc1ccc(CC(=O)O)cc1	1592513999	NAXQHNIWDCEHNI-NSHDSACASA-N	308.382	1.280	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](C)C(=O)O)c(Br)c1	1594106449	USLXJHBNSVAXFF-LURJTMIESA-N	317.139	1.622	50	20	DDGD	
Cc1cc(C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)no1	1591930386	SPOAQESDPZKLQP-UHFFFAOYSA-N	318.297	1.031	50	20	DDGD	
COC[C@@H](C)CC(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1591372870	KHYVHJBHOIMZCB-QMMMGPOBSA-N	324.772	1.636	50	20	DDGD	
CCn1cc(C(=O)NNc2ccc(C(=O)O)cn2)c(C(C)C)n1	1597876775	JPAPCWVMDPVRKY-UHFFFAOYSA-N	317.349	1.877	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(F)cc2)cc1	19601487	WMHVTBWDQUQPPN-UHFFFAOYSA-N	315.304	1.534	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1c[nH]c2cc(F)ccc12	161274228	ZGPCXMQWTDITEL-UHFFFAOYSA-N	322.340	1.216	50	20	DDGD	
CC(=O)NNC(=O)Nc1cccc(OCc2cccnc2)c1	161976843	VKURFPGHANDFEQ-UHFFFAOYSA-N	300.318	1.833	50	20	DDGD	
O=C(CC1(O)CCCC1)NNC(=O)c1cc(Cl)ccc1O	158114708	XHUXMYBITCQDTP-UHFFFAOYSA-N	312.753	1.502	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1ccnn1CC1CC1	160049169	KIZSXNNMITYOMG-UHFFFAOYSA-N	314.349	1.084	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1cnc2ccccc2n1	163615108	LRXYEDCJBMNLMS-LLVKDONJSA-N	304.350	1.515	50	20	DDGD	
CCCCS(=O)(=O)NCC(=O)NNc1cc(C)cc(C)c1	155271413	ZUUDCRPZNGAVQM-UHFFFAOYSA-N	313.423	1.466	50	20	DDGD	
CC[C@H](CC(=O)NNc1ccc(C(N)=O)nn1)c1ccccc1	154294284	XAKKKFVGKNKVCI-LLVKDONJSA-N	313.361	1.603	50	20	DDGD	
C[C@@](O)(CNS(=O)(=O)CCCCCl)c1ccsc1	154377051	JACWLSIBXUWCJH-LLVKDONJSA-N	311.856	1.894	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)c2cc(Cl)ccc2F)nn1	154409764	VOJDFZZGHFCJJX-UHFFFAOYSA-N	309.688	1.125	50	20	DDGD	
CCC(CC)(CC)CNC(=O)NNC(=O)C(=O)N1CCCC1	154730183	FUNBNTYGKHDAAL-UHFFFAOYSA-N	312.414	1.156	50	20	DDGD	
O=C(NCCc1ccc(Cl)nc1)NNC(=O)c1ccccc1	154966721	BEXOPSHXVXWWJA-UHFFFAOYSA-N	318.764	1.922	50	20	DDGD	
CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)/C(C#N)=C/OCC)C1	159165124	ZZVXRWYKVZAGJO-IABSEIGFSA-N	321.421	1.974	50	20	DDGD	
CN(CCN1CCCC1=O)C[C@@H](CBr)C1CC1	859138693	HPTZOGOHZHXCDZ-GFCCVEGCSA-N	303.244	1.962	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNC(=O)CCc1ccccc1O	106287948	AFFQHBLWURHVSA-UHFFFAOYSA-N	317.345	1.320	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cnc(C(C)(C)C)s1	109860781	LYJPRQGVQMPYKV-UHFFFAOYSA-N	307.379	1.547	50	20	DDGD	
C[C@H](NCC(=O)NNC(=O)c1cccs1)c1ccccc1	102676687	PFBCMDFPODAKRM-NSHDSACASA-N	303.387	1.860	50	20	DDGD	
CNC(=O)NNC(=O)CCc1nc(-c2ccc(F)c(C)c2)no1	56377319	ORBGSBULVXIXJH-UHFFFAOYSA-N	321.312	1.077	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1cccnc1)c1ccccc1F	108972604	FOQNMXGCZIYYEE-LLVKDONJSA-N	301.321	1.714	50	20	DDGD	
COc1ccnc(C(=O)NNC(=O)NCCc2cccs2)c1	116181067	OMQLUBQRGDHPOR-UHFFFAOYSA-N	320.374	1.338	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NCCCCC#N	171450196	WPLBLFCGKZRTME-UHFFFAOYSA-N	318.377	1.652	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCc1c[nH]c2ccccc12	302716769	CFUIUICFLNWHCF-UHFFFAOYSA-N	310.357	1.900	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1	113863895	CUBHQTZNBHZYCV-MCIONIFRSA-N	304.346	1.089	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1cc(-c2ccco2)[nH]n1	114894803	DDIVGQVHHWKTEJ-UHFFFAOYSA-N	304.697	1.870	50	20	DDGD	
O=C(/C=C/C1CCOCC1)NNC(=O)c1ccc(Cl)nc1	112194453	MRCWIBXQTMPNHL-DAFODLJHSA-N	309.753	1.479	50	20	DDGD	
NC(=O)N[C@H](CC(=O)NNc1ccccc1)c1cccs1	111555782	CWFUOPQROFGYCS-LLVKDONJSA-N	304.375	1.991	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F	116195000	QPLABLZAILJKCY-IUCAKERBSA-N	320.299	1.561	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1ccc(Cl)nc1	177063058	LNNOQELTORSPBP-UHFFFAOYSA-N	305.725	1.525	50	20	DDGD	
Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NNC(=O)CN(C)C	175946365	RLWCGSATSIHKNS-ZDUSSCGKSA-N	320.437	1.774	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	67997305	YXMNUFHXAVHDIG-QMMMGPOBSA-N	318.402	1.979	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCNc1ccccc1[N+](=O)[O-]	64425669	INSLUNARVTXCDH-UHFFFAOYSA-N	323.353	1.527	50	20	DDGD	
COc1ccnc(NNC(=O)CCOc2cccc(C)c2)n1	128170012	PMCKBGRSYXHXAS-UHFFFAOYSA-N	302.334	1.706	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2c(F)ccc(F)c2F)n1	121651464	CZJHGVQKPIVEBF-UHFFFAOYSA-N	317.658	1.886	50	20	DDGD	
CCO[C@H](C(=O)NNc1nccnc1OC)c1ccccc1	184363607	LDIWXBRULLBGQF-LBPRGKRZSA-N	302.334	1.706	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H](C)Cc2c(C)noc2C)n1	181320922	JAYYVHJCNYUQPZ-VIFPVBQESA-N	319.365	1.952	50	20	DDGD	
CC(C)COCCC(=O)NNC(=O)Cc1c[nH]c2ccccc12	33225178	LPWXFRVJQVRPMC-UHFFFAOYSA-N	317.389	1.921	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)Cc2cc[nH]n2)c(C)c1	184473329	WUDHDSRJRAAGSL-UHFFFAOYSA-N	317.349	1.512	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)c2ccc(C)s2)C1	73074946	UAXGCEKXAIMSFC-WDEREUQCSA-N	324.402	1.797	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C(C)(Cl)Cl)cc1	183447739	BGXKEFVRSOOZDI-UHFFFAOYSA-N	305.161	1.715	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2cc1O)c1ccnnc1	129261816	BXQZBPTUAPMQAJ-UHFFFAOYSA-N	308.297	1.410	50	20	DDGD	
Cc1oc2ccc(NC(=O)NNC(=O)CN(C)C)cc2c1C	186486447	BPENCQXMGWJGKC-UHFFFAOYSA-N	304.350	1.764	50	20	DDGD	
Cc1ccc(OCc2cccc(C(=O)NN(C)C(N)=O)c2)cn1	181077552	FHCUBIYIVSJVJL-UHFFFAOYSA-N	314.345	1.624	50	20	DDGD	
Cc1ccn(CC(=O)NNc2cc(F)c(F)cc2F)c(=O)c1	194941164	MTQJETZSFYRODD-UHFFFAOYSA-N	311.263	1.717	50	20	DDGD	
CC(C)(C)S(=O)(=O)CC(=O)NNc1cnc2ccccc2n1	193548504	KTVFQZYAXDVIKO-UHFFFAOYSA-N	322.390	1.286	50	20	DDGD	
CNC(=O)c1ccc(/C=C(\C#N)C(=O)O[C@H](C)COC)cc1	192972895	IYGZDDBZYBDUBC-GYBQTFJISA-N	302.330	1.531	50	20	DDGD	
CC1(C)CN(CC(=O)NNC(=O)c2ccccc2)CCS1	83415475	ZSRKPMJAHASKBN-UHFFFAOYSA-N	307.419	1.275	50	20	DDGD	
CSC1(C(=O)NNC(=O)c2cccc3ncccc23)CC1	190319465	MTLXIDRTQVWHHV-UHFFFAOYSA-N	301.371	1.891	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cnn2ccncc12	193642606	ZDIZEUTVMZFARE-UHFFFAOYSA-N	307.235	1.904	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H](C)n2cccn2)c1	45042661	PRDVUNXTLPVYPQ-ZDUSSCGKSA-N	316.361	1.287	50	20	DDGD	
C[C@H]1CCCCN1CCCCNC(=O)NNc1ncccn1	46751165	BXPHBHIVOFYCFU-ZDUSSCGKSA-N	306.414	1.757	50	20	DDGD	
Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)NN	193442559	OBZYDHRTBJHSOF-LLVKDONJSA-N	311.407	1.162	50	20	DDGD	
C[C@H]1CCN(CC(=O)NNC(=O)c2ccccc2Cl)[C@H]1C	248337738	HOPQMOZHUSJUAB-QWRGUYRKSA-N	309.797	1.831	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2COc3ccccc3O2)n1	266939971	PLOQTMKSGYXFEF-LBPRGKRZSA-N	316.317	1.077	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N[C@@H]1C=C[C@H](CO)C1)c1ccccc1	267027633	AGTQPTSSNDZCOR-GXTWGEPZSA-N	317.389	1.232	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCc1ccc2c(c1)CCO2	265105041	ANCSVCYYNSCYPQ-UHFFFAOYSA-N	305.378	1.541	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1csc(NC2CC2)n1	269204117	IRXVVSOABGKJNG-UHFFFAOYSA-N	316.350	1.141	50	20	DDGD	
CC[C@H](C)[C@@H](O)CNC(=O)c1c(C)nn(CCCl)c1C	268564017	GOAQOQCLOHAAEG-CABZTGNLSA-N	301.818	1.876	50	20	DDGD	
CCOc1ccc(/C=C/C(=O)NNC(=O)NC2CC2)cc1C	274376669	HUYBDRGGLNAHFB-WEVVVXLNSA-N	303.362	1.900	50	20	DDGD	
COCc1ccccc1NC(=O)C(=O)NNC(=O)OC(C)(C)C	274188076	FBAFHDHWBNGOLR-UHFFFAOYSA-N	323.349	1.327	50	20	DDGD	
COC(=O)NNC(=O)c1cc(N2CCCC2=O)ccc1Cl	274310550	UFXWLXDNHMFZKA-UHFFFAOYSA-N	311.725	1.468	50	20	DDGD	
Cc1ccc(C[C@@H](C)C(=O)NNc2nccn(C)c2=O)cc1	272354336	RCKSGOXCGXWJLM-GFCCVEGCSA-N	300.362	1.411	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(C(=O)OC)c(F)c1	273384493	CMGPLHXJXVWIQS-MRVPVSSYSA-N	311.313	1.811	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC[C@H](COC)OC)c1ccccc1	273071673	ZROXCBLVBHPISJ-ZIAGYGMSSA-N	323.393	1.172	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H](C)Cc1ccc(OC)cc1	270298381	RCAUDCHCHWVJNT-LBPRGKRZSA-N	323.393	1.241	50	20	DDGD	
COC[C@H](CNC(=O)NNc1ccc(OC(F)F)cc1)OC	272737283	CHHDKTMMFZUAEC-NSHDSACASA-N	319.308	1.576	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H]2CCCN2C)c1	272562289	GVCJOZWYMWCHFA-CYBMUJFWSA-N	306.366	1.194	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	370455019	MCYGMHQCKICXBG-DBIOUOCHSA-N	301.268	1.303	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)NCC(F)(F)F)cc1O	281291714	QWHDDRPOMJBDRU-UHFFFAOYSA-N	305.256	1.136	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1C	288629481	KCCGQXBQYBKMFJ-QWRGUYRKSA-N	307.306	1.546	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1occ2c1CCOC2	376585082	SELUYVMQDCNMFJ-UHFFFAOYSA-N	315.329	1.225	50	20	DDGD	
O=C(CN1CCC[C@H]1[C@H]1CCCO1)NNC(=O)c1ccccc1	284680429	HKGSDWCHLGTPEQ-LSDHHAIUSA-N	317.389	1.091	50	20	DDGD	
COCCN(C)NC(=O)c1cc(-c2ccccc2Cl)[nH]n1	288289364	BCXHIYJHZYZZRO-UHFFFAOYSA-N	308.769	1.953	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H](C(=O)NNc2cc(Cl)cc(Cl)c2)O1	281445519	CFHZCXMDFAWIGA-VHSXEESVSA-N	318.160	1.469	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CCOCC(F)F	281291659	QWEVPRALKOCNSO-UHFFFAOYSA-N	301.293	1.820	50	20	DDGD	
COC(=O)N(C)NC(=O)c1nc(Br)ccc1F	804125039	ZGTJVVGUXQGPHR-UHFFFAOYSA-N	306.091	1.326	50	20	DDGD	
COc1ccnc(NNC(=O)NCC[C@H]2C[C@H](C)O[C@H](C)C2)n1	802511490	XPPXNCGLOOGNIX-ZSBIGDGJSA-N	323.397	1.705	50	20	DDGD	
O=S(=O)(CCCCCl)N1C[C@@H](CO)c2ccccc21	292684967	KOXXGKDPLICGBT-NSHDSACASA-N	303.811	1.931	50	20	DDGD	
CC(C)[C@H](NC(=O)NNc1ncncc1Cl)c1nncn1C	805765739	YIZFNJCLRAPYJW-VIFPVBQESA-N	324.776	1.282	50	20	DDGD	
CC(C)(C(=O)NNc1cc(C#N)cc(Cl)n1)N1CCOCC1	801181375	MWXMQRLDSJGUHF-UHFFFAOYSA-N	323.784	1.161	50	20	DDGD	
Cc1cc2c(cc1C)O[C@@H](C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)C2	294339138	TYGBZRPVYWCCGA-CORIIIEPSA-N	318.373	1.322	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1ccc2cc[nH]c2n1	804956592	ABVLPGHIZVALML-UHFFFAOYSA-N	320.316	1.296	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)cc1	295330473	HFZACWCUTBQVFS-ZDUSSCGKSA-N	320.345	1.193	50	20	DDGD	
CN1[C@H]2CC[C@H]1CC(NC(=O)NNc1ccc(Cl)nn1)C2	297191104	XDVWSIWTGPOYNY-UWVGGRQHSA-N	310.789	1.381	50	20	DDGD	
CCCCOCCNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	299320042	BWZFPKZYMAUWIY-UHFFFAOYSA-N	324.337	1.356	50	20	DDGD	
Nc1nc(C2CC2)ncc1C(=O)NNc1cc(Cl)ccn1	807205972	LUVDCMHMRKEWRF-UHFFFAOYSA-N	304.741	1.742	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CCc2nccs2)cc1	802050793	GCQXPZLZZQDPBA-UHFFFAOYSA-N	320.374	1.937	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CC(=O)N[C@@H](C)C2)cc1	296780207	AQSNKDSSZVXHLQ-ACLQVGRQSA-N	313.357	1.339	50	20	DDGD	
CCOCC(C)(C)CNC(=O)NNC(=O)c1cccc(C#N)c1	808264633	IZBCWEWQLMEUKA-UHFFFAOYSA-N	318.377	1.565	50	20	DDGD	
CCOCC(=O)NN=Cc1ccc(C)cc1-c1cnn(C)c1	802711486	QGWUUJVJTCMCFI-UHFFFAOYSA-N	300.362	1.882	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1	818027116	GKGQDBMPXUAXMJ-LBPRGKRZSA-N	321.421	1.058	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)c1nnc2ccccc2n1	810361733	ROMORGUWUYBWCF-UHFFFAOYSA-N	316.324	1.752	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNC(=O)Nc1ccccc1	813573606	KNCWBSFZUQOXHR-UHFFFAOYSA-N	307.350	1.819	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1ccc2[nH]ccc2c1	811635397	WPNQXKSMDZBVGK-ZDUSSCGKSA-N	314.389	1.586	50	20	DDGD	
CN(NC(=O)c1sccc1S(=O)(=O)C(F)F)C1CC1	819647150	KRUXKPWYIYUZDJ-UHFFFAOYSA-N	310.347	1.483	50	20	DDGD	
O=C(COc1ccccc1O)NN=C1CCc2c(O)cccc21	814951721	RIMWISDJVUIOFF-UHFFFAOYSA-N	312.325	1.943	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1cc(F)c(N)c(F)c1	814864937	KBMQTPKWDPZVLN-VIFPVBQESA-N	315.320	1.439	50	20	DDGD	
COC(=O)CCCN1CCC(=NNC(=O)CC(C)(C)C)CC1	728429219	WSQGDKQIOPCTGT-UHFFFAOYSA-N	311.426	1.944	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)[C@@H]1CCCSC1	811455594	MNCYEIAFOYXAMI-SNVBAGLBSA-N	304.379	1.249	50	20	DDGD	
COc1ccc(Br)c(NNC(=O)[C@@H](C)N(C)C)c1	823656947	UTHYVSOMRNPDRU-MRVPVSSYSA-N	316.199	1.851	50	20	DDGD	
COc1ccc([C@@H]2CCCN2CC(=O)NNC(=O)C(C)C)cc1	827355235	XVTLVIAVNHVSQW-HNNXBMFYSA-N	319.405	1.636	50	20	DDGD	
CCS[C@H]1CC[C@@H](N(C)CC(=O)NNC(=O)C(C)C)C1	827937800	CPXIWNVGNOLJMR-NEPJUHHUSA-N	301.456	1.396	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnc(Cc2ccc(F)cc2)s1	727103103	KPEIIZWASALTCX-UHFFFAOYSA-N	322.365	1.837	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)c2cnc[nH]2)cc1	725881930	XPNPZPAGEMCGLB-UHFFFAOYSA-N	305.363	1.440	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H]2CC[C@H](C)C2)o1	824899762	NYGCLEVGPWDNTE-IUCAKERBSA-N	319.369	1.857	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)C1(C(=O)NC2CC2)CCC1	729302986	WENCWULQMUNVRF-UHFFFAOYSA-N	315.373	1.205	50	20	DDGD	
Cc1cc(C(=O)NCB(O)O)cc(C)c1OCc1cccnc1	585060920	HWLNKNNBVUFJCM-UHFFFAOYSA-N	314.150	1.019	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N=c2cc[nH]cc2)c(C(F)F)n1	491083242	KYUVHBQIGGKDSB-TWGQIWQCSA-N	303.272	1.720	50	20	DDGD	
C[C@H](CNCc1ccccc1B(O)O)Oc1ccccc1F	585026476	HKHYWBQDGCVSEK-GFCCVEGCSA-N	303.142	1.063	50	20	DDGD	
Cc1c(C(=O)N2CC[C@@H](B(O)O)C2)cnn1-c1ccccc1F	585068534	DEDFQXRWUSYTLV-LLVKDONJSA-N	317.129	1.009	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccn3)CC2)cn1	491046650	HMKHXJMFYPQITN-XNTDXEJSSA-N	322.372	1.071	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)ccc1C(=O)NNC(=O)C1CCCC1	826249658	NLXPEBCTDGIDGK-UHFFFAOYSA-N	314.349	1.126	50	20	DDGD	
CSCC1(CCNC(=O)NNc2nc3ccccn3n2)CC1	821010791	KABNSXQTCNBILJ-UHFFFAOYSA-N	320.422	1.889	50	20	DDGD	
CC[C@H](C)N(CC(=O)OC)C(=O)/C(C#N)=C/c1cnn(C)c1	491048052	KDLPOHIINDLLTK-HOVAHTAHSA-N	304.350	1.127	50	20	DDGD	
Cc1cc(C(=O)Nc2cccc(B(O)O)c2)c(C)n1C(C)C	584910278	PECIAQQVSNHMHP-UHFFFAOYSA-N	300.167	1.618	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)OC(C)(C)C)c1nnc2n1CCC2	491281843	GHELUUAJCILYLR-QMMMGPOBSA-N	310.358	1.024	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1	495694143	XSNNJTFQLYBQEC-VIFPVBQESA-N	315.370	1.219	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC1CCN(C[C@H]2CCOC2)CC1	490781659	BPHHBMWPSFUYMZ-MNWMYKRDSA-N	307.394	1.047	50	20	DDGD	
Cc1ncccc1C=NNC(=O)CCNC(=O)OC(C)(C)C	495086943	MYSKBKSWSKALJN-UHFFFAOYSA-N	306.366	1.755	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NC[C@@H]1CCN(C2CC2)C1	491176504	PYNGGNGTLQFLCM-BUYRESAOSA-N	311.385	1.900	50	20	DDGD	
CO[C@@H]1CCC[C@@H](Cc2nc(-c3ccc(B(O)O)cc3)no2)C1	585053135	BRHKKSDSDRDEMD-BXUZGUMPSA-N	316.166	1.164	50	20	DDGD	
Cc1occc1CNC(=O)NNC(=O)COc1ccccc1O	730824227	YYGXTSPJBQMOHQ-UHFFFAOYSA-N	319.317	1.203	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cnn(-c2ccccc2)c1)C1CC1	733335703	ARVLKMIFNGWJRT-LLVKDONJSA-N	313.361	1.615	50	20	DDGD	
Cc1cc(O[C@@H](C)C(=O)N2CC[C@H](B(O)O)C2)ccc1C(C)C	585068960	JRLOSDPTKLKYIZ-KBPBESRZSA-N	319.210	1.961	50	20	DDGD	
C[C@H](Oc1cccc(C=NNC(=O)c2cnn(C)c2)c1)C(=O)O	735411161	OLJVDCUVOMQEQG-JTQLQIEISA-N	316.317	1.036	50	20	DDGD	
COc1ncccc1C(=O)NNC(=O)Cc1c[nH]c2ccccc12	906485962	DFYVKPZUKNRSDU-UHFFFAOYSA-N	324.340	1.575	50	20	DDGD	
CCO[C@H]1C[C@@H](NCc2ccc(B(O)O)cc2F)C12CCCC2	585027349	QXWYNTFHMNZORY-CVEARBPZSA-N	321.201	1.333	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCCCO2)c(C)c1	833261483	OMFUNEVKDSBINJ-CQSZACIVSA-N	306.362	1.399	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)c2ccc(C)o2)nc1	836682969	BLWZUJZRWPNWOD-UHFFFAOYSA-N	302.334	1.478	50	20	DDGD	
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NNC(=O)O	738379871	WBSKCSWFBFQWGW-UHFFFAOYSA-N	308.725	1.806	50	20	DDGD	
O=C(NCCOC[C@@H]1CCCO1)NNc1cccc([N+](=O)[O-])c1	734677543	WWBUBNGZFCCOHK-ZDUSSCGKSA-N	324.337	1.417	50	20	DDGD	
COc1ccc(C(=O)O)cc1C=NNC(=O)CC(F)(F)F	901170442	NRVVRPKPWDMXTE-UHFFFAOYSA-N	304.224	1.796	50	20	DDGD	
COc1cccc(NNC(=O)[C@@]2(C)C[C@@H]2Br)n1	907258514	OMAZPUGLTJCZCC-CPCISQLKSA-N	300.156	1.707	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C\c1ccc(OC)c(-c2nn[nH]n2)c1	735430241	ZHWYTCCXQLXQRG-XFFZJAGNSA-N	310.317	1.084	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNC(=O)CCCc1ccccc1	839641595	VFISCNDXYSKTPM-AWEZNQCLSA-N	319.405	1.304	50	20	DDGD	
C[C@H]1c2ccsc2CCN1C(=O)c1cc(B(O)O)ccc1F	584925879	RRVBIQAGYUKKNC-VIFPVBQESA-N	319.166	1.327	50	20	DDGD	
CC[C@@H]1C[C@H]1CNC(=O)NNC(=O)COc1ccc(OC)cc1	838665934	RTKDFDFWKYOSCK-NEPJUHHUSA-N	321.377	1.451	50	20	DDGD	
O=C(COC/C=C/c1ccccc1)NNC(=O)[C@@H]1CCCCO1	833245981	BXCIBBLAZIXJTD-PPYMECGQSA-N	318.373	1.433	50	20	DDGD	
CC(C)C[C@@H](NC(=O)O)C(=O)NNc1cc(Cl)ccn1	833482203	ZJLBFTUSGMYESC-SECBINFHSA-N	300.746	1.860	50	20	DDGD	
CC(C)(C)n1nnc(CC(=O)NNc2cccc(F)c2F)n1	830830718	APRVSAIJHJBOPQ-UHFFFAOYSA-N	310.308	1.392	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)c1F	837688829	IETDUPUVUSRMAS-JMJZKYOTSA-N	320.320	1.671	50	20	DDGD	
COc1ccc(O)c(C=NNC(=O)Cc2csc(C)n2)c1	916317667	RFVNZVDEGWLSBB-UHFFFAOYSA-N	305.359	1.859	50	20	DDGD	
COC(=O)[C@H](CNC(=O)[C@@]1(C)C[C@@H]1Br)CC1CC1	911889330	HRUBSXFIXOSZOS-KWBADKCTSA-N	318.211	1.865	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)OCc2noc(C(C)(C)C)n2)cn1	837969470	ODTXHAFDIQIHEU-WZUFQYTHSA-N	315.333	1.751	50	20	DDGD	
CCc1ccc([C@H](C)CC(=O)NNC(=O)c2ncon2)cc1	832825969	NFWYMASELJFFJL-SNVBAGLBSA-N	302.334	1.587	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)OCC(=O)N2CCC2)c1	746936203	BBUMLSXBXBQFSR-MDWZMJQESA-N	300.314	1.378	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1CCN(Cc2ccccc2)C1	847687101	LXHCVMDFTOAFSL-CQSZACIVSA-N	304.394	1.201	50	20	DDGD	
CC(C)n1cc2cc(NC(=O)NNC(=O)CCCN)ccc2n1	841128751	UOJJKLBVTWIJOX-UHFFFAOYSA-N	318.381	1.509	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCC#Cc1ccccc1	747490633	LXMAUCMYIOGKAO-UHFFFAOYSA-N	308.341	1.006	50	20	DDGD	
Cc1nc(Br)sc1C(=O)NN(C)C[C@H](C)O	910154414	CWZNCGDTCWSKMM-YFKPBYRVSA-N	308.201	1.171	50	20	DDGD	
CCn1cc(C=NNC(=O)CN2CCCC2=O)c2ccccc21	915048345	ARKGOKTWARKIAQ-UHFFFAOYSA-N	312.373	1.734	50	20	DDGD	
COc1ccc(NNC(=O)CNC(=O)c2cccc(F)c2)cc1	746887525	UIZDQFMFZFKGDU-UHFFFAOYSA-N	317.320	1.707	50	20	DDGD	
CC[C@@H](CC1CCCCC1)C(=O)NNC(=O)CN1CCCC1=O	913731083	UDKLWDVJKFRHIZ-AWEZNQCLSA-N	323.437	1.753	50	20	DDGD	
CCOCC1(C(=O)NNc2ncc(Br)cn2)CC1	848321892	ICFPBFRVIQKFHW-UHFFFAOYSA-N	315.171	1.499	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNc1ccc(C(F)(F)F)nn1	845875674	BBXWZLCIVOGZCJ-UHFFFAOYSA-N	319.287	1.101	50	20	DDGD	
Cc1[nH]nc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c1O	747648649	KPIMMXCXSZMPML-UHFFFAOYSA-N	318.377	1.401	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCc1cccc(N(C)C)c1	843656649	NKQDOXJNVWBMSP-SWLSCSKDSA-N	319.405	1.258	50	20	DDGD	
O=C(NN=Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCCC1	748137861	XEBWGATWUIHKET-UHFFFAOYSA-N	324.724	1.321	50	20	DDGD	
CC(C)(N)CNC(=O)NNc1ccc(F)cc1Br	841950247	KURKLICMVWHYAI-UHFFFAOYSA-N	319.178	1.952	50	20	DDGD	
CCc1oc(C=NNC(=O)[C@H]2CCO[C@@H]2C)cc1C(=O)OC	842561494	RECJZFMJOSIMLL-KOLCDFICSA-N	308.334	1.504	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=S)Nc1ccccc1F	747669902	BDTDZLZGHXNZHD-UHFFFAOYSA-N	304.350	1.781	50	20	DDGD	
Cc1cc(C)c2c(c1)CCC2=NNC(=O)N1CCN(C)CC1	848408999	IUGXLRKJYWMLMT-UHFFFAOYSA-N	300.406	1.911	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2cc(F)c(F)c(F)c2)CCN1	841989230	ZDDLPSDHIWYCHR-SFYZADRCSA-N	302.300	1.871	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1CC(=O)NNC(=O)c1cccc(Cl)n1	912506211	FUCUSXILGUDSCJ-AOOOYVTPSA-N	310.785	1.369	50	20	DDGD	
CCc1nc(C)c(C(=O)NNc2ccnc(N(C)C)n2)s1	740108241	UXCKCALNTOUTRI-UHFFFAOYSA-N	306.395	1.627	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNC(=O)CCCc1ccccc1	844371097	KBJJMYYYMFIZHQ-UHFFFAOYSA-N	319.405	1.319	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)[C@@H](C)CN2CCOCC2)C12CCC2	741162716	BYSWKCFDTSMJKG-DZGCQCFKSA-N	323.437	1.406	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H](C)[C@](C)(OC)C2CC2)nc1	841588777	CMLSFQCEEAUOLN-BONVTDFDSA-N	308.382	1.920	50	20	DDGD	
CC(C)Cc1ccc(C(=O)NNc2nccn(C)c2=O)cc1	747942257	QIDDSVGKSOAAOY-UHFFFAOYSA-N	300.362	1.736	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNc1nc(-c2cccnc2)no1	841391322	JBHJOFMSTYWDIZ-NSHDSACASA-N	305.338	1.636	50	20	DDGD	
CO[C@H](C)CCNC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	743590550	BGPVJXYKPKXUJI-LLVKDONJSA-N	323.397	1.513	50	20	DDGD	
O=C(COC(=O)CCC(F)(F)F)NNC(=O)c1cccs1	745521969	OCTZRZIWLYOEBC-UHFFFAOYSA-N	324.280	1.395	50	20	DDGD	
C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NNC(=O)C1CCOCC1	923055694	FOAXXSBYKHCLEU-SJKOYZFVSA-N	320.389	1.115	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2C[C@H](C)[C@H](C)[C@H]2C)c1	842166852	OBBAIVIAVOOQMA-MELADBBJSA-N	303.406	1.732	50	20	DDGD	
CCC(N)(CC)CNC(=O)NNC(=O)Cc1ccc(F)cc1	841952486	VOMPUJPIUBRSGI-UHFFFAOYSA-N	310.373	1.216	50	20	DDGD	
C[C@@H](COCC1CCCCC1)NC(=O)c1ccc(B(O)O)cc1	928702860	MGTCIWWKBAZEKO-ZDUSSCGKSA-N	319.210	1.082	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)C2CCOCC2)cc1	920285939	APJRFWZLJYRJQV-UHFFFAOYSA-N	308.403	1.661	50	20	DDGD	
COc1ccc2c(c1)CC(=NNC(=O)C(=O)NC(C)C)CC2	752720243	HCBJBRQZQMSXBK-UHFFFAOYSA-N	303.362	1.181	50	20	DDGD	
CCS(=O)(=O)CCCNC(=O)NNc1ccc(F)c(F)c1	922909759	STDXTGUAFXBLNG-UHFFFAOYSA-N	321.349	1.416	50	20	DDGD	
CCOC(=O)c1cnc(C)c(NC(=O)NNC(=O)CC(C)C)c1	757811721	YAEDSGUMXGAVIG-UHFFFAOYSA-N	322.365	1.766	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(OC(F)F)c(F)c1	756006917	QQXPCGKBGQSJFJ-UHFFFAOYSA-N	307.228	1.226	50	20	DDGD	
CC(C)C(=O)NCCCNC(=O)NNc1ccc(F)c(F)c1	921663721	ZCDGBLNCHVDIGE-UHFFFAOYSA-N	314.336	1.753	50	20	DDGD	
CC(C)N1CC(=NNC(=O)[C@@H](C)CN2CCCCC2)[C@H](C)C1	754256352	ASHPRWWUFVDRMB-CABCVRRESA-N	308.470	1.941	50	20	DDGD	
Cc1nn(C)cc1[C@@H]1CCCN1C(=O)NNC(=O)C1CCCC1	753345887	SWYAPUMMWNKGJL-AWEZNQCLSA-N	319.409	1.796	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccc(C(=O)OC(C)(C)C)cc1	857273563	QUJPNVLHWIUWSD-UHFFFAOYSA-N	317.349	1.527	50	20	DDGD	
Cc1cc(C)c2c(c1)C(=NNC(=O)CN1CCCC1=O)CCO2	920371784	VEQAZYATMSGXKX-UHFFFAOYSA-N	315.373	1.529	50	20	DDGD	
O=C(C[C@H]1CCCC(=O)N1)NNc1ccc([N+](=O)[O-])cc1F	855627120	VXWZPDJDGHNMOX-MRVPVSSYSA-N	310.285	1.236	50	20	DDGD	
CCC/C=C/C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12	920418244	BASUQTMKSYOBBX-BJMVGYQFSA-N	314.345	1.051	50	20	DDGD	
C[C@H](NC[C@]1(C)C[C@H]1Br)C1CCS(=O)(=O)CC1	857062821	FROBXHNKUDJKDZ-WCQGTBRESA-N	324.284	1.963	50	20	DDGD	
O=C(NNC(=O)N1CCO[C@@H](c2ccccc2)C1)C1CCCC1	753340871	YVDHSOMRKFPSOZ-OAHLLOKOSA-N	317.389	1.991	50	20	DDGD	
CCCC(=O)N1CCC[C@H]1C(=O)NNc1ccc(Cl)cn1	856095639	QLJWFCXIYJFMLM-NSHDSACASA-N	310.785	1.969	50	20	DDGD	
COCCn1ccc(C(=O)NC[C@]2(C)C[C@H]2Br)n1	857390690	GVJBLZHTGXGAEW-PWSUYJOCSA-N	316.199	1.433	50	20	DDGD	
COCC1(C(=O)NC[C@]2(C)C[C@@H]2Br)CCOCC1	857389004	XEQSWCCJGJCWSM-JQWIXIFHSA-N	320.227	1.719	50	20	DDGD	
CC1CCN(C[C@@H](C)C(=O)NN=C2CCCN(C)CC2)CC1	758100553	WDSRKHFOYYXJIU-OAHLLOKOSA-N	308.470	1.942	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2	755078628	PPOSPGDGPSINTN-BFHYXJOUSA-N	321.421	1.855	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)c1coc(C2CCOCC2)n1	857357432	RPUFNGPCTYPYJN-UHFFFAOYSA-N	323.740	1.769	50	20	DDGD	
N#CSCCCNC(=O)c1cnn(Cc2ccccc2)c1N	854363725	KLRROYHZEYRPTB-UHFFFAOYSA-N	315.402	1.848	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=CC2CCOCC2)n1	755491393	YPNFVUFZDASYOL-UHFFFAOYSA-N	308.407	1.714	50	20	DDGD	
CC(Cn1cncn1)=NNC(=O)[C@@H](C)Oc1cccc(C)c1C	853274179	HWNDGQBFUGOWRW-CQSZACIVSA-N	315.377	1.855	50	20	DDGD	
CCc1nc(C=NNC(=O)[C@H](C)CN2CCOCC2)cs1	755584632	MWULPVPMWDGHDI-LLVKDONJSA-N	310.423	1.124	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc2c(N(C)C)cccc2s1	931119364	MMWWOOWMHVYOPN-UHFFFAOYSA-N	306.391	1.883	50	20	DDGD	
CN(C)C(=O)c1ccc(C=NNC(=O)c2c[nH]c3ccccc23)[nH]1	752154741	JDBCMBIDWIMMJD-UHFFFAOYSA-N	323.356	1.962	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(Br)o1)C1CCC1	758947512	UWLILGHFLVNFJH-UHFFFAOYSA-N	323.168	1.152	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C[C@H]1CCC(=O)N1	854943782	VCLVAIXMBXVMQH-MRVPVSSYSA-N	311.773	1.365	50	20	DDGD	
COC1([C@@H](C)NC(=O)NNC(=O)c2cc(C)cs2)CCC1	858543237	QYENAZYPSAFTNW-SNVBAGLBSA-N	311.407	1.958	50	20	DDGD	
Cn1cc([C@@H](O)C(=O)OC[C@@H](CBr)C2CC2)cn1	859693393	ZUZHLXJTDJWRGE-MWLCHTKSSA-N	317.183	1.418	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C	852705915	JBHFGCQGLBALLQ-JTQLQIEISA-N	316.402	1.228	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1cnn(-c2ccccn2)c1	756704463	FGMUEDPIJBCZKU-UHFFFAOYSA-N	300.322	1.220	50	20	DDGD	
C[C@]1(CNC(=O)NCC2(O)CCOCC2)C[C@@H]1Br	856956975	XQUHRNOOLKBALH-GXSJLCMTSA-N	321.215	1.001	50	20	DDGD	
COc1ccccc1C[C@@H](C)CC(=O)NNC(=O)c1cc[nH]n1	855358365	HVTTVTYZSGHHME-LLVKDONJSA-N	316.361	1.448	50	20	DDGD	
O=C(Cc1nnc(-c2ccccc2)o1)NNC(=O)CC1CC1	868591543	ZATORUSHXKWJTP-UHFFFAOYSA-N	300.318	1.227	50	20	DDGD	
Cn1nc(C2CC2)cc1C(=O)NNC(=O)Cc1ccccc1F	932376725	LJEJJEDCQYNVES-UHFFFAOYSA-N	316.336	1.440	50	20	DDGD	
C[C@H](C(=O)NNc1cc(F)c(F)cc1F)[C@H]1CCC(=O)N1	860326595	LRCQTPHTDUIIMV-QUBYGPBYSA-N	301.268	1.462	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC[C@H](n2ccnn2)C1	867432377	XNBDDTCKLCZMOP-NSHDSACASA-N	320.846	1.510	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc2c(c1)nc(O)n2CC1CC1	931120143	WRCPKDFFVOTKAN-UHFFFAOYSA-N	317.349	1.068	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)c2cccc(Cl)n2)[C@H]1C	863931809	WBXKPRVCHNIKAQ-UOKLYIGXSA-N	311.769	1.556	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)N[C@@H](C1CCCC1)C(F)(F)F	860931706	LCSVMASZAFZNQC-VIFPVBQESA-N	319.287	1.475	50	20	DDGD	
O=C(C[C@H]1COC(=O)C1)NNC(=O)c1cc2ccccc2o1	765489784	MWKLWYMFJYUYTE-SECBINFHSA-N	302.286	1.147	50	20	DDGD	
CN1C(=O)CS/C1=C\C(=O)NC[C@]1(C)C[C@H]1Br	864072523	JTYAHKWWIMQKJC-SJVGRLRZSA-N	319.224	1.323	50	20	DDGD	
O=C(NNc1cnccn1)C(=O)Nc1ccccc1OC(F)F	766259817	APOAGVXOQBZFLO-UHFFFAOYSA-N	323.259	1.160	50	20	DDGD	
COc1cc(NC(=O)NC[C@]2(C)C[C@@H]2Br)[nH]n1	861380162	TYMFHTFFESCHTM-WKEGUHRASA-N	303.160	1.713	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)COCCOC)c1ccc(F)cc1	869907494	NKVXTUUJAHNGRB-ZDUSSCGKSA-N	312.341	1.130	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc2nc(C3CC3)oc2c1	763440827	MPQKZNWTQKFQEA-UHFFFAOYSA-N	316.317	1.201	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)OCC(F)(F)F	862215145	DRIVDVBWRLVRGG-GARJFASQSA-N	314.263	1.892	50	20	DDGD	
Cn1nc(C(=O)O)cc1C(=O)NC[C@@]1(C)C[C@H]1Br	864058869	XWINIGRLMYNLIW-LDYMZIIASA-N	316.155	1.022	50	20	DDGD	
CCOCn1nc(C)c(CC(=O)NN[C@H](C)C(F)(F)F)c1C	869375999	ANZVQOPBHUNMJR-SNVBAGLBSA-N	322.331	1.608	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ncc3n2CCCC3)nc1	867016428	TYOIXLHMVHVVHC-UHFFFAOYSA-N	315.333	1.158	50	20	DDGD	
CSC[C@@H](C)NC(=O)NNc1ccccc1S(C)(=O)=O	765791150	XYFDXZBMPXVVRY-SECBINFHSA-N	317.436	1.468	50	20	DDGD	
Cc1ccnn1CC(=O)NNc1ccc(C(F)(F)F)nn1	860401696	QDQOBNKZQJORIF-UHFFFAOYSA-N	300.244	1.144	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1cnn(C2CC2)c1	860401270	IWXVUPWOLLFTQX-UHFFFAOYSA-N	312.255	1.784	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1COc2ccc(Cl)cc21	762359715	YIOKWUIKUILYMB-JTQLQIEISA-N	313.741	1.140	50	20	DDGD	
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN[C@H](C)C(F)(F)F	862318485	QJRSNDUKBGNPDL-HTQZYQBOSA-N	313.320	1.861	50	20	DDGD	
CCC[C@@H](C)C(=O)OCC(=O)NNC(=O)Cc1ccccc1C	767287791	QGNPZRMFPSEGKD-CYBMUJFWSA-N	320.389	1.664	50	20	DDGD	
C=C(C)COc1cccc(NC(=O)C(=O)NNC(=O)CC)c1	763438316	QFKIGYRFHYPKKH-UHFFFAOYSA-N	305.334	1.137	50	20	DDGD	
C[C@@H](NNC(=O)CNC(=O)c1cc(Cl)ccn1)C(F)(F)F	1118911774	VYGLNJIUWKLYBU-ZCFIWIBFSA-N	324.690	1.036	50	20	DDGD	
CO[C@@H](C)[C@@H](C)NC(=O)NNC(=O)c1nc2ccccc2s1	873018951	RVNYZJLGNHBLAU-BDAKNGLRSA-N	322.390	1.664	50	20	DDGD	
COc1ccc(CCNC(=O)NN=c2cc[nH]c(C)c2)cc1F	875227631	ITFUJEUPJUIHNM-UHFFFAOYSA-N	318.352	1.828	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C2=C(C(=O)O)CCCC2)cc1	872831143	GHTYKNWGBLZSOH-UHFFFAOYSA-N	316.357	1.965	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CCn2ccnc2)c(C)c1	873758581	TZOMKQGCJLYYLP-UHFFFAOYSA-N	317.418	1.908	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@]2(C)CNC[C@]2(C)C1	872266170	ATUXVLMWQNWQRX-IYBDPMFKSA-N	324.856	1.810	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)COc1ccc(CC)cc1	771872766	CJPICTOKXQRQMV-LLVKDONJSA-N	322.361	1.117	50	20	DDGD	
Cc1cc(=NNC(=O)NCc2ccc(OC(C)C)nc2)cc[nH]1	875080960	BVHOOKBAPIWLQP-UHFFFAOYSA-N	315.377	1.820	50	20	DDGD	
C[C@@]1(CNc2cc(C(N)=O)nc(Cl)n2)C[C@H]1Br	872612952	SNRPCDVXPMFKHT-LDWIPMOCSA-N	319.590	1.814	50	20	DDGD	
CCOC(=O)c1n[nH]cc1/C=C(\C#N)C(=O)Nc1nccs1	1116304037	DHQFHDNZFXEUBR-VMPITWQZSA-N	317.330	1.589	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H]1CCC(=O)C1	873770596	RIIXEIDYXONUTN-SECBINFHSA-N	307.375	1.382	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C1(C)CC(F)(F)C1	873834573	PHOCXEVYFBPRKB-UHFFFAOYSA-N	309.382	1.296	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2ccc(F)nc2)cc1	777422017	CMYCIZCUQOYKAX-UHFFFAOYSA-N	303.293	1.758	50	20	DDGD	
CCC[C@@H]1C[C@@H](C(=O)NNC(=S)NCC2CCC2)CCO1	779902682	TYDWNWCYTHLWRN-QWHCGFSZSA-N	313.467	1.877	50	20	DDGD	
CC(=NNC(=O)C[n+]1ccccc1)c1cc([N+](=O)[O-])ccc1C	1116871441	OXTBMTDLTHHRJP-UHFFFAOYSA-O	313.337	1.731	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](c1ccccc1)C1CC1	772229879	DKJFBIBGVUMULK-ABAIWWIYSA-N	318.373	1.669	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc(O)nc2ccc(F)cc12	1116105238	USHHWTFGEWPWBP-UHFFFAOYSA-N	322.365	1.597	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2c(O)cccc2F)c1O	776124123	ZYNLZOJOOVRQCF-UHFFFAOYSA-N	320.276	1.320	50	20	DDGD	
CC(=O)NNC(=O)[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C	778504819	UDPZRQHJIWVGHQ-LURJTMIESA-N	306.288	1.333	50	20	DDGD	
C[C@@H](CBr)COC(=O)c1cnc2c(c1)nnn2C	770413338	YNLGRNDCXYEBEG-ZETCQYMHSA-N	313.155	1.551	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1cc(Cl)ccc1OC	887139250	HDUPGHPINIDBMJ-UHFFFAOYSA-N	308.765	1.842	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1ccc(F)cc1Br	776971306	IGBOIWOBWIZEDL-UHFFFAOYSA-N	318.146	1.481	50	20	DDGD	
Cn1nc2c(c1NC(=O)NNc1ncc(Cl)cn1)CCCC2	880622657	OPIYEQXRNOIPHL-UHFFFAOYSA-N	321.772	1.891	50	20	DDGD	
CCCN([C@H](CC)C(=O)OCC)S(=O)(=O)CCCCl	882124137	WBGZYGGCISXTGN-LLVKDONJSA-N	313.847	1.999	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1coc(-c2cccs2)n1	887142795	AELFUZWJQGTTEA-UHFFFAOYSA-N	317.370	1.897	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(F)c(F)c1)N1CCSCC1	885113056	NFOGFDYERSGUKL-VIFPVBQESA-N	301.362	1.845	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)C2CCOCC2)C[C@@H]1c1ccccc1	883071775	MZUXCCNJERFHCM-PBHICJAKSA-N	302.374	1.754	50	20	DDGD	
C=CCC1(CNC(=O)NNC(=O)C2CCOCC2)CCCC1	883680374	HTYDVIWMUHOMMF-UHFFFAOYSA-N	309.410	1.880	50	20	DDGD	
CN(CCNC(=O)NNc1ccc(C#N)cn1)C1CCCC1	888173357	IJHAGGWCDLRFTR-UHFFFAOYSA-N	302.382	1.454	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)CCCOC1	781142324	MPKVEUZAMUMALN-KRWDZBQOSA-N	315.373	1.675	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNc1ccc2c(=O)[nH]ccc2c1	1120647075	CHZKKYBMYNOZLE-UONOGXRCSA-N	301.346	1.786	50	20	DDGD	
COCCn1ccc(C(=O)NNc2cccc3cnccc23)n1	784448118	GAYRAZKMECFYQL-UHFFFAOYSA-N	311.345	1.835	50	20	DDGD	
CSc1ccccc1S(=O)(=O)NNC(=O)CC(C)C	780367189	WGHYDZNCABWKNE-UHFFFAOYSA-N	302.421	1.764	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cnc(Br)c(C)c1	887154179	BBXGQQJTWBRQGD-UHFFFAOYSA-N	324.178	1.717	50	20	DDGD	
C[C@@H](Cc1cccc(F)c1)C(=O)NNC(=O)C1CCOCC1	883062047	PGFQGIVHUOLDIG-NSHDSACASA-N	308.353	1.578	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NN(C)c2ccccc2)c1C#N	783430099	YMWVOEAULCREBF-UHFFFAOYSA-N	308.341	1.973	50	20	DDGD	
COCC(=NNC(=O)c1ccnc(N(C)C)c1)C1CCOCC1	780224327	CESLYQPRZRJIOL-UHFFFAOYSA-N	320.393	1.306	50	20	DDGD	
CC(C)(C(=O)NNS(=O)(=O)c1ccco1)c1ccccc1	783528817	RLMAOAIYBXCXQX-UHFFFAOYSA-N	308.359	1.567	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(Cl)cc1-n1cccn1	788309915	SOAQYZLYACKKTR-UHFFFAOYSA-N	323.740	1.325	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccn(CC(C)C)n2)cc1O	899218589	DAUDKOSDMMWRDQ-UHFFFAOYSA-N	316.361	1.628	50	20	DDGD	
Cc1cc(C(=O)OCC(=O)NNC(=O)c2ccccc2)ccn1	789026320	HDSSELLVRDYXNK-UHFFFAOYSA-N	313.313	1.008	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@H]2CO[C@H](C)C2)o1	784360720	PZEFXFGQCYJESM-VXGBXAGGSA-N	323.393	1.307	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNC(=O)CCc1ccccc1	786860645	GTRXTJBWEPPYAQ-UHFFFAOYSA-N	300.362	1.349	50	20	DDGD	
CCCC(=O)N1CCC[C@@H]1C(=O)NNC(=S)NC(C)(C)C	899992416	WKCODBCCGVLGQC-SNVBAGLBSA-N	314.455	1.071	50	20	DDGD	
Cc1cncc(NC(=O)C(=O)NNc2cccnc2Cl)c1	784843974	YWTHECYTMNBBKG-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
CC(C)(O)C(=O)NN=C1C(=O)Nc2c1cccc2C(F)(F)F	785461518	KYVICPOBZFRLJC-UHFFFAOYSA-N	315.251	1.249	50	20	DDGD	
CCC[C@H](C(=O)NNC(=O)C(C)(OCC)OCC)C(C)C	788159103	VPNQPTMDPMTDCH-LBPRGKRZSA-N	302.415	1.995	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2cccc(F)c2)c(O)n1	783036624	ZIIPJZQIAZVSLN-UHFFFAOYSA-N	304.281	1.317	50	20	DDGD	
Cc1noc2ncc(C(=O)NNc3ncncc3Cl)cc12	781833846	NELMQPNEFYJDCD-UHFFFAOYSA-N	304.697	1.732	50	20	DDGD	
CCOC(=O)C1(CC(=O)NNc2nccnc2OC)CCC1	789909379	LJEJZNMOBUXLEE-UHFFFAOYSA-N	308.338	1.052	50	20	DDGD	
O=S(=O)(CCCCCl)NCCCOC[C@@H]1CCOC1	780799764	KIVHTYOLGKJRLK-LBPRGKRZSA-N	313.847	1.368	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ncccc2C)cc1F	792374157	AHTLIVVDQVOYDO-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
CCOC(=O)NCC(=O)NNc1ccc(Cl)c(OC)c1	791028685	ZSICGGAMKUSLES-UHFFFAOYSA-N	301.730	1.538	50	20	DDGD	
O=C(NNC(=O)c1ccnn1-c1ccccc1)c1cccnc1	792012691	QCUDVJWOIYBRAG-UHFFFAOYSA-N	307.313	1.342	50	20	DDGD	
Cc1nc(CC(=O)NN=C2CCCc3nn(C)cc32)cs1	794470000	BWILXYLVZPOECQ-UHFFFAOYSA-N	303.391	1.584	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)Cc1cc(C(C)(C)C)on1	795302244	GVNBRTQSJLVTEZ-VIFPVBQESA-N	317.411	1.469	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)C[C@H]2CCCO2)c1	791277091	JEMDRWNHHKTSMI-CYBMUJFWSA-N	306.366	1.792	50	20	DDGD	
O=P(c1ccccc1)(c1ccccc1)c1ccc(B(O)O)cc1	1772768948	XXEKRCIJCZAEBD-UHFFFAOYSA-N	322.109	1.006	50	20	DDGD	
CCn1ccnc1C=NNC(=O)c1cncn1-c1ccccc1	1319705904	SIGBYFITNXLBRP-UHFFFAOYSA-N	308.345	1.853	50	20	DDGD	
Cc1ccccc1C(F)(F)C(=O)NNC(=O)c1c[nH]nc1C	1319606896	JXMFTRBSOGDMGB-UHFFFAOYSA-N	308.288	1.580	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCc1nnc(C)o1)c1ccccc1	1318424133	YHHGSEOMFDVYPX-GFCCVEGCSA-N	317.349	1.402	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)n2cccc2)cc1	1321738645	BLWAJSQRFORIOQ-LBPRGKRZSA-N	314.345	1.144	50	20	DDGD	
Cn1ccc(NNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1	1320978239	HXDZAATYPIGPEG-UHFFFAOYSA-N	316.321	1.660	50	20	DDGD	
C[C@@H](CCc1ccccc1)NC(=O)NNC(=O)C1CCNCC1	1327462090	YBSIBRCDWOLSHK-ZDUSSCGKSA-N	318.421	1.338	50	20	DDGD	
Cn1nncc1NNC(=O)c1sccc1Br	1324289536	BTWJHXNPPGKBAE-UHFFFAOYSA-N	302.157	1.396	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNc2ccc(-n3ccnc3)nn2)o1	1322619743	RJFDOKDQZHYQGN-UHFFFAOYSA-N	312.289	1.215	50	20	DDGD	
CCOc1cc(C(=O)NNc2ccc(C(C)(C)C)nn2)[nH]n1	1329267632	LDQGYAFLFYYUBQ-UHFFFAOYSA-N	304.354	1.653	50	20	DDGD	
O=C(NNC(=O)N1CC[C@@H](c2cccc(F)c2)C1)c1cn[nH]c1	1331313046	QLBCZQKLANFYTC-LLVKDONJSA-N	317.324	1.393	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccn(-c2ccncc2)n1	1334733918	BJAFIHBVPRGJNU-UHFFFAOYSA-N	318.406	1.175	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H](c1ccccc1C)C(C)C	1330487760	DPAXQMOWSZXOQQ-GFCCVEGCSA-N	307.350	1.196	50	20	DDGD	
O=C(NNC(=O)c1ncoc1[C@@H]1CCCO1)NC1CCCC1	1339126647	QBNJLMCPGGYAID-JTQLQIEISA-N	308.338	1.413	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cnccc1C(F)(F)F	1349777360	KIOQHESZKSOISC-UHFFFAOYSA-N	306.313	1.618	50	20	DDGD	
O=C(O)CC1CC(=NNC(=O)c2cnn(-c3ccccc3)c2)C1	1601941944	WSZNDOVVMCPZTM-UHFFFAOYSA-N	312.329	1.843	50	20	DDGD	
C[C@@H](Oc1ccccn1)C(=O)NNc1cccc(C(=O)O)c1F	1604449926	YJZUZAIBVVTPJV-SECBINFHSA-N	319.292	1.830	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)Cc2ccc3n[nH]cc3c2)cc1	1602127648	UZWIFYCAEJNNOV-UHFFFAOYSA-N	324.340	1.876	50	20	DDGD	
O=C(O)[C@]1(C(=O)NNc2ccnc(F)c2)C[C@@H]1c1ccccc1	1601703372	ZFSVFZYFVYROJA-MLGOLLRUSA-N	315.304	1.922	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H](C(=O)NNc2ccccc2C(=O)O)C1	1606510187	AJPMHXWIHOCZKV-VHSXEESVSA-N	306.318	1.417	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2c[nH]c(C(=O)O)c2)cc1Cl	1608208645	IZJMJQKSMUGIRB-UHFFFAOYSA-N	304.693	1.995	50	20	DDGD	
O=C(NN=CCCC1CCOCC1)[C@H]1CN2CCC[C@H]2CO1	1549319023	FXBKPVDZCGKTMC-LSDHHAIUSA-N	309.410	1.158	50	20	DDGD	
CCOC1CC(=NNC(=O)[C@H]2CCCO[C@@H]2c2nccn2C)C1	1549308771	DMNMTMVLSRYBRM-TTZKSVMKSA-N	320.393	1.559	50	20	DDGD	
CN(C)[C@H]1CCCC[C@H]1NC(=O)NNc1cccc(C(=O)O)c1	1610098374	DJOJHKNXMLUPQY-KGLIPLIRSA-N	320.393	1.884	50	20	DDGD	
COc1cc(NC(=O)NNc2ncccc2C(=O)O)ccn1	1574187149	DDIBNLXIGRDGTF-UHFFFAOYSA-N	303.278	1.332	50	20	DDGD	
CC1(C)CNC[C@@H]1C(=O)NNc1nc(C(F)(F)F)cs1	1576472656	DEUIMRKRDHDGNS-ZCFIWIBFSA-N	308.329	1.851	50	20	DDGD	
CC(=O)N1CCCC12CN(C(=O)[C@@H](C)CBr)C2	1842762578	APPFJKGXPCKZNR-VIFPVBQESA-N	303.200	1.241	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H](C)COC)C2	1845163148	IMSVTSUFUQXNFL-NEPJUHHUSA-N	316.829	1.490	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)[C@H]2CCCOC2)C1	1847030211	INELBHAOVVVAFY-QWRGUYRKSA-N	318.776	1.151	50	20	DDGD	
CO[C@@H](C)C(=O)N1CCCC12CN(C(=O)C(Cl)Cl)C2	1846406257	ZAUAUKUROOZAKC-QMMMGPOBSA-N	309.193	1.028	50	20	DDGD	
CN(C)C(=O)CCCC(=O)NNc1cccc(F)c1C(=O)O	1598124906	RTRWDPDSXQSJBC-UHFFFAOYSA-N	311.313	1.226	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1ccc(-c2nn[nH]n2)cc1F	1590797227	MMWPSEGWJSVDSW-FLIBITNWSA-N	316.296	1.066	50	20	DDGD	
O=C(CCCC1CC1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	1592836639	DBTDJYADEGCMKP-UHFFFAOYSA-N	321.772	1.939	50	20	DDGD	
COCCn1ccc(C(=O)NNc2cccc(F)c2C(=O)O)n1	1599271295	KRPWKELZSOBLHS-UHFFFAOYSA-N	322.296	1.124	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CC(C)(C)CC(=O)O	1599703812	FTVNGTAKDYAETO-UHFFFAOYSA-N	322.361	1.276	50	20	DDGD	
O=C(CCC(=O)NC1CCCC1)NNc1ncccc1C(=O)O	1594681798	BXXXPMABMUTULJ-UHFFFAOYSA-N	320.349	1.062	50	20	DDGD	
CC(=NNC(=O)Cc1ccccc1O)c1ccc(C(=O)O)o1	1776094147	CZMMZYZZBUBXER-UHFFFAOYSA-N	302.286	1.766	50	20	DDGD	
Cc1cccc2c(O)c(C(=O)NNC(=O)c3ccc[nH]3)cnc12	161378616	BLLZEXHDIMPKGN-UHFFFAOYSA-N	310.313	1.652	50	20	DDGD	
Cc1ccc(NNC(=O)CCc2nc(-c3ncccn3)no2)cc1	158902242	QBWSDUBTEQZSMF-UHFFFAOYSA-N	324.344	1.911	50	20	DDGD	
O=C(CCc1cccc([N+](=O)[O-])c1)NNC(=O)c1ccc[nH]1	151548859	PPRXPDYRIHGYLP-UHFFFAOYSA-N	302.290	1.317	50	20	DDGD	
NC(=O)CC[C@@H]1CCCN(S(=O)(=O)CCCCCl)C1	154042223	JWLDWHTWGFDOJR-NSHDSACASA-N	310.847	1.313	50	20	DDGD	
CS[C@H](C)CC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	155465363	IAPCMUSHAKKCQA-NXEZZACHSA-N	314.382	1.882	50	20	DDGD	
OCCN(CCI)Cc1ccccc1	190861578	OVWQCSAQQWPRNS-UHFFFAOYSA-N	305.159	1.916	50	20	DDGD	
C=C(C)CNC(=S)NNC(=O)COc1cc(C)cc(C)c1	7556042	TYADHJMOQVBAJM-UHFFFAOYSA-N	307.419	1.754	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O	172881669	GZUCTBGCQWCJGH-GZZWPOOQSA-N	313.357	1.741	50	20	DDGD	
C[C@@H](OC[C@H]1CCCCO1)C(=O)NNc1ccc(Cl)nn1	118504168	BXPFNFTZVPXDNN-NXEZZACHSA-N	314.773	1.547	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H](C)N(C)c2ccccc2)nn1	106331558	ZXCHRQOUYCFRNG-ZDUSSCGKSA-N	314.393	1.936	50	20	DDGD	
CCCCC[C@@H](C)NC(=O)NNC(=O)CNC(=O)c1ccco1	101619528	OBFNCGIGVCUNED-LLVKDONJSA-N	324.381	1.309	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)c2ccc[nH]2)cc(C)c1F	172883169	MJJPPRPKPBXRCN-UHFFFAOYSA-N	311.338	1.394	50	20	DDGD	
O=C(NNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)NC1CC1	64428000	RWNFCLLNPDVJOF-UHFFFAOYSA-N	319.321	1.276	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1nc2ccccc2nc1C	117550761	FMPZZKCUWNPEOY-SNVBAGLBSA-N	318.402	1.976	50	20	DDGD	
CCC1(C(=O)NNC(=O)c2c(C)nc3ccccn23)CCC1	177656480	ZPPMNUTZJPALDT-UHFFFAOYSA-N	300.362	1.984	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC[C@H]2CC=CCC2)n1	69240403	UZVDMRIDURPMAB-ZDUSSCGKSA-N	305.382	1.187	50	20	DDGD	
COCCCNC(=O)NNC(=S)Nc1c(C)cccc1C	64937370	WGOMLYYWUWESRK-UHFFFAOYSA-N	310.423	1.841	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1csc(C2CC2)n1)C1CC1	175535952	MYUASJWPPPIWFW-SSDOTTSWSA-N	310.448	1.928	50	20	DDGD	
O=C(CCc1nc(-c2ccco2)no1)NNc1cnccn1	114879467	GHNFAPZLBBFFQQ-UHFFFAOYSA-N	300.278	1.196	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1cncc(C)c1	175143844	OVXSKPVYTWYXDE-UHFFFAOYSA-N	314.345	1.272	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNC(=O)c1cc(Br)c[nH]1	119882185	LNGZJPBXBSQFOD-NSHDSACASA-N	318.171	1.089	50	20	DDGD	
C[C@@H]1CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C	177878724	TVAKPWZSNXDQHZ-GHMZBOCLSA-N	320.349	1.086	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNC(=O)c1cccc2ncccc12	125394548	IQMCJHCTCULEIH-INIZCTEOSA-N	301.346	1.547	50	20	DDGD	
CC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)[C@@H]1CCCO1	76088866	WNOPHRFJKREMGW-KBPBESRZSA-N	305.378	1.517	50	20	DDGD	
Cc1nc(CCC(=O)NN(C)C(N)=O)oc1-c1ccccc1	181077186	OVXGHRWGTNWWRZ-UHFFFAOYSA-N	302.334	1.624	50	20	DDGD	
Cc1ccc(NNC(=O)Cn2c(=O)cnc3ccccc32)cc1	120434323	URZCQEAQLOTYNU-UHFFFAOYSA-N	308.341	1.848	50	20	DDGD	
CCCc1noc(CCCC(=O)NNC(=O)c2cccn2C)n1	79308435	WKDYSGDFNCLLMJ-UHFFFAOYSA-N	319.365	1.145	50	20	DDGD	
O=C1O[C@H](C(=O)NNc2ccnc(F)c2)Cc2ccccc21	182491080	XTIPROUQTMXJLC-LBPRGKRZSA-N	301.277	1.446	50	20	DDGD	
CC(C)CCn1cc(C(=O)NNC(=O)c2ccccc2O)nn1	128975312	QHUJBOSCBDKCNW-UHFFFAOYSA-N	317.349	1.105	50	20	DDGD	
CN(C)Cc1ccc(C(=O)NNC(=O)c2ccccc2O)cc1	73049843	DUEWRRFBZBOJPA-UHFFFAOYSA-N	313.357	1.529	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)COc1ccc(F)cc1F	78250281	HCKSPNUNCQTYJD-UHFFFAOYSA-N	302.277	1.900	50	20	DDGD	
CC[C@@H]1C[C@@H](C(=O)NNc2nccc(N(CC)CC)n2)CCO1	184209021	PXAZFRINIGWMMF-QWHCGFSZSA-N	321.425	1.971	50	20	DDGD	
Cn1cc(C(=O)NNc2ncc(Cl)cc2Cl)ccc1=O	132951819	HZWQCHZRMJSPJO-UHFFFAOYSA-N	313.144	1.844	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1	43111906	ZTKPPKJPLSQEQY-HNNXBMFYSA-N	319.405	1.468	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)c1cccc(O)c1	80259634	UWJAGRPWUNLWLJ-UHFFFAOYSA-N	309.325	1.808	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1c[nH]nc1C1CC1	190332937	SBOQZTUHZOINIO-UHFFFAOYSA-N	302.309	1.430	50	20	DDGD	
O=C(NC[C@H]1CCN(c2ccccc2)C1)NNc1ncccn1	46957951	YAXAHXRUHVYZSI-CYBMUJFWSA-N	312.377	1.629	50	20	DDGD	
C[S@](=O)Cc1cccc(C(=O)NNC(=O)c2ccncc2)c1	192545600	VJASRZCSKVZCSJ-QFIPXVFZSA-N	317.370	1.035	50	20	DDGD	
O=C(Cc1ccsc1)NNc1nc2ccccc2c(=O)[nH]1	137188550	PBOZYTQKVFMACE-UHFFFAOYSA-N	300.343	1.670	50	20	DDGD	
Cn1ncc(C(=O)NNc2ncc(Cl)cc2Cl)c1N	132487687	YYLWHCWPUHOKPA-UHFFFAOYSA-N	301.137	1.461	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C(C)(C)O)cccc1-c1ccccn1	190072978	JOAUYHNITHANCB-UHFFFAOYSA-N	313.357	1.589	50	20	DDGD	
NC(=O)c1cccc(NC(=O)NNc2ccc(Cl)nn2)c1	193197595	ZRPJKJXOAFPEPX-UHFFFAOYSA-N	306.713	1.378	50	20	DDGD	
C=CCCOCC(=O)NNc1nc2ccccc2c(=O)n1CC	144266141	YKEFZSRGMYZFGZ-UHFFFAOYSA-N	316.361	1.452	50	20	DDGD	
CSSCCNC(=O)c1c(Br)cnn1C	295154206	AKVBURDLWYORBT-UHFFFAOYSA-N	310.242	1.924	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)C1CCC1)Oc1cccc(F)c1	266617247	VAEPXUZCQBDHPM-JTQLQIEISA-N	309.341	1.724	50	20	DDGD	
Cc1ccccc1[C@H](CC(=O)NNC(=O)C1CCC1)NC(N)=O	264674855	HOUMPHBKUXIAHD-ZDUSSCGKSA-N	318.377	1.042	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNC(=O)C1CCC1)c1cccc(F)c1	264783138	WAFBVFVFIWILCR-AWEZNQCLSA-N	322.384	1.559	50	20	DDGD	
COc1cc(Cl)ccc1CNC(=O)NNC(=O)C1CCC1	264842907	LJFZPKLQVVYVIQ-UHFFFAOYSA-N	311.769	1.979	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2CCC[C@@H](SC)C2)n1	265403820	WWLWKHWYQZHPMD-VHSXEESVSA-N	311.411	1.786	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2C[C@H](C3CC3)O[C@H](C)C2)n1	279581747	BOVYOEKXLBGDJH-BXUZGUMPSA-N	318.377	1.244	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@H](O)CC(C)(C)C)n1	279712741	SUUHZGAXUUPYPE-LLVKDONJSA-N	308.382	1.131	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2CCC2)c(Cl)c1	274118355	SCQXPEHVPPGKLQ-UHFFFAOYSA-N	309.753	1.534	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNc2ccc(C(F)(F)F)nn2)O1	270060970	QAABJEHEQNRVLV-JGVFFNPUSA-N	304.272	1.896	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CC=C(C#N)CC2)C1	270958102	QHCSLBXRBPIHBB-ZFWWWQNUSA-N	303.406	1.953	50	20	DDGD	
O=C(NNc1cccc2c1CCCC2)[C@@H]1CCCCS1(=O)=O	275051355	LQHSPRCHDSGIGU-HNNXBMFYSA-N	322.430	1.976	50	20	DDGD	
CN(C)C(=O)c1ccc(OS(=O)(=O)CBr)cc1	272803103	LPWRSKBAHGCRKK-UHFFFAOYSA-N	322.180	1.449	50	20	DDGD	
COc1cccc(OC)c1C(=O)NNC(=O)NC1CCCC1	270606644	XZNYHOKPQOZZFP-UHFFFAOYSA-N	307.350	1.590	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)CCc2nccs2)n1	279754149	ZCHWIPBCIJQGFU-UHFFFAOYSA-N	319.390	1.375	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2CC23CCOCC3)cc1	372723534	CCBDQOSFGRUCCX-AWEZNQCLSA-N	302.374	1.827	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNc1nc(-c2ccncc2)no1	282206538	OFJGRKSNEZKQCK-NGZCFLSTSA-N	303.322	1.388	50	20	DDGD	
CCCN(NC(=O)CCc1nc(C)no1)C(=O)OC(C)(C)C	286494192	MNNDUFNOUHFMAU-UHFFFAOYSA-N	312.370	1.989	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(C)[C@@H](CC(N)=O)c1ccccc1	280373864	YNKPLXMISBQLAM-CMPYXILNSA-N	301.346	1.505	50	20	DDGD	
Cc1nc(-c2ccc(C(=O)NNC(=O)CN(C)C)cc2)cs1	281987331	MSUJAYLYAJFEKK-UHFFFAOYSA-N	318.402	1.441	50	20	DDGD	
COCC1(C(=O)NNC(=O)CCCc2ccccc2)CCC1	284020865	OPQIISGFSINGJA-UHFFFAOYSA-N	304.390	1.973	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](N)c2ccc(C)cc2)n1	280508262	FJAKSIUEGZWTFJ-CYBMUJFWSA-N	301.350	1.245	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@](C)(O)CSc1cccc(F)c1	286325730	LGJFADSUSONVBE-CYBMUJFWSA-N	316.354	1.398	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C1CCC[C@@H]1CCCF	800814158	JZZBEOMAJFAPJN-GFCCVEGCSA-N	320.368	1.833	50	20	DDGD	
C=CCCOCCNC(=O)NNc1cccc(NC(C)=O)c1	297365688	PLIOLTKMSSZGNW-UHFFFAOYSA-N	306.366	1.864	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1nccn1CC)c1ccccc1	291953782	OKGBSNOJCOWFFF-ZDUSSCGKSA-N	300.362	1.858	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc2c(c1)CCO2	807372036	WMFGKHFHINHXIE-UHFFFAOYSA-N	322.361	1.172	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)COCc1ccccn1	807194994	RESJCWAJRDWANS-UHFFFAOYSA-N	315.329	1.528	50	20	DDGD	
N#CC1=CCN(C(=O)[C@H]2CCCN2C(=O)C(F)(F)F)CC1	807177620	BVCCLQJJWZBUGR-SNVBAGLBSA-N	301.268	1.222	50	20	DDGD	
O=C(NNC(=O)c1cncs1)c1cc(-c2ccccc2)on1	807332575	OMFPPAHVJHKADR-UHFFFAOYSA-N	314.326	1.873	50	20	DDGD	
O=C(NNC(=O)c1cc2c(cc1O)OCO2)Nc1ccccc1	801985863	LNFZVBAYVOJWTK-UHFFFAOYSA-N	315.285	1.587	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	298289344	DCXUTKHEKVUFFM-UHFFFAOYSA-N	308.294	1.196	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N1CCN(C)CC1)C1CCC(C)CC1	807383124	LGLMRQKUEOOLRZ-YMAMQOFZSA-N	324.469	1.827	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	803395204	DRIBFQYOTMXKNT-CQSZACIVSA-N	304.306	1.508	50	20	DDGD	
C[C@@H](CCc1cccn1C)NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	298051372	UXKVPQDMUQVCPZ-OBJOEFQTSA-N	322.409	1.244	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCCC(C)(F)F)c1	296371057	RHZUVMCSIMDSPZ-UHFFFAOYSA-N	315.320	1.750	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(F)c(Cl)c2F)O1	293910438	MGRCKYHNEBEWLE-RCOVLWMOSA-N	318.707	1.947	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)c1cccc2cccnc12)C1CCC1	813430210	NOSRTCOBBMDWRF-QGZVFWFLSA-N	313.357	1.547	50	20	DDGD	
CN(NC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1)C1CC1	819648654	NAVGGURYDWSWDY-OAHLLOKOSA-N	307.369	1.324	50	20	DDGD	
CC(C)C(=O)NCCCNC(=O)NNc1cccc(Cl)n1	814314351	AQQHQDPZVMOVJR-UHFFFAOYSA-N	313.789	1.523	50	20	DDGD	
CN(CC(=O)NNc1cccc(Cl)n1)[C@H]1CCSC1	817007881	UHBXSEHLUXAYDX-VIFPVBQESA-N	300.815	1.615	50	20	DDGD	
Cc1cc(C)cc(C(=O)NCC(=O)NNc2ncncc2F)c1	817083549	MLJFHBNVQSWUQI-UHFFFAOYSA-N	317.324	1.106	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)C1(c2cccnc2)CCCC1	813423911	DHDDNZRWAOCXDH-UHFFFAOYSA-N	302.378	1.634	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C[C@@H](C)n2cccn2)cc1	819839727	OYUHTVIOMFJNJA-CYBMUJFWSA-N	315.377	1.402	50	20	DDGD	
CC(C)C1CCC(=NNC(=O)[C@H](C)NS(C)(=O)=O)CC1	729638855	ITXFHTPKLAPXRQ-VUWPPUDQSA-N	303.428	1.243	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CCNC(C)(C)C)ccc1F	821879834	DGGUICHUMKXONJ-UHFFFAOYSA-N	311.357	1.834	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCCC[C@H]2CCCCO2)cn1	491163716	XUKBGGCEPNFYJU-AAWPKVBNSA-N	302.378	1.793	50	20	DDGD	
CON=Cc1ccc(C(=O)NNC(=O)c2cccc(C#N)c2)cc1	728869999	MEDUDJPUSMYRSA-UHFFFAOYSA-N	322.324	1.613	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC(OC[C@@H]2CCCO2)CC1	827035547	NLIFPMHOWNJIGC-HVCHUGMYSA-N	308.378	1.617	50	20	DDGD	
COCCOCCCCNC(=O)/C(C#N)=C/c1ccc(O)cc1	491133260	OVPRUQKRQXQHMD-NTCAYCPXSA-N	318.373	1.859	50	20	DDGD	
C#CCO[C@H](C)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	822198253	JYDNAJXUDSZPKR-QLFDAEIZSA-N	318.417	1.779	50	20	DDGD	
Cc1ccncc1CC(=O)NNC(=O)NCCc1cccs1	823810028	FHNYDRBTGVIKQO-UHFFFAOYSA-N	318.402	1.567	50	20	DDGD	
CN(C)CCN(Cc1ccccc1F)S(=O)(=O)CCl	820787124	ISRLVYAIBGYKBL-UHFFFAOYSA-N	308.806	1.715	50	20	DDGD	
CCCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccccc1	728436708	IHEDKPVAPTXRMS-LLVKDONJSA-N	311.407	1.245	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H]2CC[C@@H](C)C2)o1	824899760	NYGCLEVGPWDNTE-BDAKNGLRSA-N	319.369	1.857	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(-c2cncnc2)cc1F	823934357	FSSIRBVSISQBKF-JTQLQIEISA-N	304.325	1.240	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CC[C@@H]2OCC[C@@H]2C1	825964963	QFMADFJUJHONLG-YPMHNXCESA-N	319.361	1.160	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)c2ncccc12	820941768	DCAHIJIRCYPWBA-AWEZNQCLSA-N	313.357	1.873	50	20	DDGD	
C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(B(O)O)c(F)c1	584953160	YSFOVDIEKLLYPH-HFAKWTLXSA-N	305.158	1.299	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CC[C@H](c3ccncc3)C2)cn1	491046994	IAYHXVICXGWKNB-MDNIKOHYSA-N	307.357	1.738	50	20	DDGD	
CCc1cc(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)no1	825700466	GPLQOOYVCIOUNZ-UHFFFAOYSA-N	314.309	1.566	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CSC[C@@H]1C(=O)N(C)C(C)C	490756484	ZLRMRITZQSVPLW-SEVUFMINSA-N	311.407	1.199	50	20	DDGD	
CC(C)(C)C[C@@H](NCc1ccc(B(O)O)cc1)C(F)(F)F	585033958	LCGCIKMKCSJDNG-GFCCVEGCSA-N	303.133	1.823	50	20	DDGD	
O=C(CCCCc1ccc(Br)cc1)NCB(O)O	585061668	CSIAJWXOSXSGQB-UHFFFAOYSA-N	313.988	1.290	50	20	DDGD	
CCO[C@H]1C[C@H](NCc2cccc(B(O)O)c2)C12CCCC2	585027517	VKOKHGBRRVGBTN-HOTGVXAUSA-N	303.211	1.194	50	20	DDGD	
CCOc1ccccc1[C@H](C)NCc1ccc(B(O)O)cc1F	585020192	ZDKHPOOGABMDNO-LBPRGKRZSA-N	317.169	1.755	50	20	DDGD	
COc1ccccc1C(=O)NN=Cc1cc(C(=O)O)ccc1O	738115627	MBNMMNJRHSYQFA-UHFFFAOYSA-N	314.297	1.863	50	20	DDGD	
Cc1ccc(C)c([C@H]2CCCN2C(=O)c2ccc(B(O)O)cc2)c1	584960278	PGMJAAIKEFGJLH-GOSISDBHSA-N	323.201	1.961	50	20	DDGD	
C[C@]1(C(=O)NCCO[C@H]2CCCCO2)C[C@H]1Br	908311108	QIZOJUGQHHNQJT-SCVCMEIPSA-N	306.200	1.819	50	20	DDGD	
COC(=O)c1nn(C)c(C)c1/C=C(\C#N)C(=O)N1CCCC1	491109282	ZMVZQTVQMMHQOC-DHZHZOJOSA-N	302.334	1.045	50	20	DDGD	
O=C(NCB(O)O)c1ccc(COc2ccc(Cl)cc2)cc1	585056522	QBPUQZJYKFDWAP-UHFFFAOYSA-N	319.553	1.661	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)N[C@H]1C[C@@H]2CCCCN2C1=O	836690295	IFGXAZNFRUCXEX-QWRGUYRKSA-N	323.784	1.515	50	20	DDGD	
COc1ccccc1CC(C)(C)C(=O)N1CC[C@H](B(O)O)C1	585071061	LSJBNJJUQIUMCD-ZDUSSCGKSA-N	305.183	1.339	50	20	DDGD	
Cc1ccc([C@H](C)[C@H](O)C(=O)NNC(=O)[C@H]2CCCCO2)cc1	833778957	LPMSLQZRJQTITK-CFVMTHIKSA-N	320.389	1.176	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)N[C@H](C)C[C@H](C)N)c1	831198081	ZELXVKFWGWEQDZ-QWHCGFSZSA-N	322.409	1.138	50	20	DDGD	
CC(C)(C)[C@@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1	584984890	ZZZJDJQKDRUWKB-LLVKDONJSA-N	307.174	1.404	50	20	DDGD	
COc1cccc(Nc2ccccc2C(=O)NCB(O)O)c1	585061089	KXXFHXUCUPLARE-UHFFFAOYSA-N	300.123	1.181	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCC(C2CCC2)CC1	585007724	ZNTFTBJMIFXYQA-UHFFFAOYSA-N	305.158	1.158	50	20	DDGD	
CCCN1CCC[C@H]1CNC(=O)NNc1ncc(F)cc1F	838590527	JHFNQZOKJRUCRP-NSHDSACASA-N	313.352	1.860	50	20	DDGD	
CN1CCCC[C@@H]1C(=O)NNC(=O)c1cccc2ncccc12	732288521	AZHYSAGQPUXMHE-OAHLLOKOSA-N	312.373	1.480	50	20	DDGD	
CC[C@@H](CN1CCCC1)NC(=O)NNc1ncc(F)cc1F	838517265	GGTDZALAMIHRGZ-NSHDSACASA-N	313.352	1.860	50	20	DDGD	
CCOc1cc(/C=C/C(=O)N2CC[C@@H](B(O)O)C2)ccc1OC	585073265	BLDIKUCHQZMABP-VUDGCMKMSA-N	319.166	1.182	50	20	DDGD	
O=C(NC[C@H]1Cc2ccccc2O1)NNc1ccc(F)cn1	731363719	XIWDHOGAFMCSLJ-GFCCVEGCSA-N	302.309	1.851	50	20	DDGD	
C[C@@H](NCc1ccc(B(O)O)o1)c1nc(C(F)(F)F)cs1	585038429	DUVCUTOTGZHCOT-ZCFIWIBFSA-N	320.101	1.286	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc2cnccc2c1	838103111	ZCLONJFLFMBWES-SNVBAGLBSA-N	315.329	1.338	50	20	DDGD	
CNC(=O)CCCNC(=O)NNc1c(F)cc(F)cc1F	914309488	KOTHRQKPIGNFBN-UHFFFAOYSA-N	304.272	1.256	50	20	DDGD	
C[C@H](N)C[C@@H](C)NC(=O)NNC(=O)CCCc1ccccc1	831202537	IGJFWBSGKSWONJ-QWHCGFSZSA-N	306.410	1.466	50	20	DDGD	
O=C(NN=C1CCN(c2nccs2)CC1)[C@@H]1CCCCO1	834986573	RAKQCSQLGZUUAE-LBPRGKRZSA-N	308.407	1.785	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@]2(C)CCCCO2)c2ccccc21	837317558	LYOJYCXTBXHYHV-KRWDZBQOSA-N	315.373	1.899	50	20	DDGD	
CCn1c(NNC(=O)c2ocnc2C)nc2ccccc2c1=O	747203283	RLFSRCYJYSGEER-UHFFFAOYSA-N	313.317	1.470	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc(N2CCC(O)CC2)cc1	740738689	OAHXLTYVMLNWQW-UHFFFAOYSA-N	305.378	1.065	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(Cl)ncc1Br	910145975	AESHBRIXLDESBM-LURJTMIESA-N	322.590	1.455	50	20	DDGD	
Cc1[nH]c2c(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)cccc2c1C	843971006	AHMHIIGGNZGTFB-DGCLKSJQSA-N	315.373	1.971	50	20	DDGD	
Cc1ccc2c(CC(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)c[nH]c2c1	843647307	MAUVDNDDUDESLT-DGCLKSJQSA-N	315.373	1.591	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NNC(=O)c1cccc(N(C)C)c1	741139112	AJWMXWUPRDFOHL-CHWSQXEVSA-N	318.421	1.386	50	20	DDGD	
CC(C)(C)c1ccccc1S(=O)(=O)NNC(=O)c1cc[nH]n1	849310701	LFJYHQQPDVREPP-UHFFFAOYSA-N	322.390	1.331	50	20	DDGD	
O=C(NCCNC1CC1)NNC(=O)c1cccc2ccccc12	841930762	WTGVSIDXHCIPAF-UHFFFAOYSA-N	312.373	1.536	50	20	DDGD	
C[C@@H](N)[C@@H](C)NC(=O)NNC(=O)c1cccc2ccccc12	842004416	KPHYFOBRCVERMP-GHMZBOCLSA-N	300.362	1.520	50	20	DDGD	
C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)C1CC1	748143808	RHVWVTVGYHZBJT-VIFPVBQESA-N	324.764	1.690	50	20	DDGD	
CCN(CC(=O)NNc1nc(C)cc(OC)n1)c1ccccc1	746630868	PYYNZABPZBAIMS-UHFFFAOYSA-N	315.377	1.763	50	20	DDGD	
O=C(C[C@H]1CCCOC1)NNc1cc(O)nc2ncccc12	913990351	IHEBYDPQNAKKMR-SNVBAGLBSA-N	302.334	1.595	50	20	DDGD	
C=Cc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	842590906	SRECDIVAZQSALZ-GWCFXTLKSA-N	310.375	1.064	50	20	DDGD	
COc1ccc(C=NNC(=O)Cn2nc(C)cc2C)cc1O	916344910	HGLFYPXTWIPDQU-UHFFFAOYSA-N	302.334	1.364	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2cccnc2Cl)CCCC1	840479721	MNTGAWSYKLHBPS-UHFFFAOYSA-N	317.798	1.536	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2scnc2C)cc1	743431315	WHQFATWNJBUAPH-UHFFFAOYSA-N	302.359	1.849	50	20	DDGD	
C=CC[C@H](Cc1ccccc1)NC(=O)NNC(=O)COCC	840462731	LUPCZDKDAOGWHP-CQSZACIVSA-N	305.378	1.541	50	20	DDGD	
C[C@H](CN1CCOCC1)NC(=O)NNc1cc(F)ccc1F	914084608	KWUKCCIGTUTSOT-SNVBAGLBSA-N	314.336	1.312	50	20	DDGD	
O=C(O)CCOc1ccc(C=NNC(=O)c2cccnc2)cc1	915936231	QZTAJOHOCVJZJC-UHFFFAOYSA-N	313.313	1.699	50	20	DDGD	
O=C(CC/C=C\c1ccccc1)NNC(=O)CN1CCCC1=O	913730793	JKVIFTLNMGFQEZ-WTKPLQERSA-N	315.373	1.250	50	20	DDGD	
O=C(NCc1cc[nH]n1)NNC(=O)c1cc2c(s1)CCC2	916636150	ZHBPIUBNSPNQNX-UHFFFAOYSA-N	305.363	1.104	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc(OC)c1C	843644896	GXDMUJQLQVDLCD-ZYHUDNBSSA-N	322.361	1.198	50	20	DDGD	
C[C@H](C=NNC(=O)C(=O)N1CCCC1)CCc1ccccc1	749158412	RAPMHQMUOBDDCT-AWEZNQCLSA-N	301.390	1.980	50	20	DDGD	
CCC(CC)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1	744767878	ADQOPDGPXQTPSF-UHFFFAOYSA-N	317.345	1.299	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)c1cccc(Cl)c1	742069162	DJEFXEOIFMKJQH-MRVPVSSYSA-N	306.753	1.936	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)N[C@@H](CN)C2CC2)cc1	841946322	JKIOCTGYJIRBKL-ZDUSSCGKSA-N	322.434	1.155	50	20	DDGD	
CNC(=O)NNS(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1	749143362	QSJPRYHXLNLMMG-UHFFFAOYSA-N	313.379	1.038	50	20	DDGD	
COC(=O)C12CC(C(=O)NNC(=O)Cc3ccccc3C)(C1)C2	843564500	JDZYMRVUBCAJHY-UHFFFAOYSA-N	316.357	1.028	50	20	DDGD	
C[C@]1(CNC(=O)NCCO[C@H]2CCOC2)C[C@@H]1Br	923373972	QXTUKHZBAVSFTI-JBLDHEPKSA-N	321.215	1.265	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](NC(=O)NNc2cc(F)c(F)c(F)c2)C1	840453078	RHTAUKYBQZSYLC-KNVOCYPGSA-N	317.267	1.682	50	20	DDGD	
C[C@H]1COC[C@@H]1NC(=O)NNC(=O)c1cn(C)c2ccccc12	925992529	AGAJCBUQTCZXSZ-GWCFXTLKSA-N	316.361	1.157	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1c2cccc(F)c2CC[C@H]1C	748251195	TYTRJZXQACYSAX-SNVBAGLBSA-N	305.353	1.753	50	20	DDGD	
Cc1nn(CC(=O)NNC(=O)OC(C)(C)C)c2ncccc12	929187395	SFOLOURUDKQWCE-UHFFFAOYSA-N	305.338	1.296	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC(OC2CCC2)CC1	842159554	ULBHCXXEOTWHKW-UHFFFAOYSA-N	311.426	1.213	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)N[C@H]2CCS(=O)(=O)C2)C[C@H](C)C1	747753654	LDHPECXDUMKFGS-AXFHLTTASA-N	301.412	1.285	50	20	DDGD	
O=C(CCl)NCCc1nc(=O)c2cc(F)c(F)cc2[nH]1	742464196	KYPGUPDULYKACU-UHFFFAOYSA-N	301.680	1.099	50	20	DDGD	
CNC(=O)C[C@@H](C)NC(=O)NNc1ccc(Cl)cc1F	922747424	MBEFVTHNHGMLEV-SSDOTTSWSA-N	302.737	1.630	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H](C)C(=O)OC(C)(C)C)cc1	840241142	PKHIGOKKLVSNKG-LLVKDONJSA-N	320.389	1.988	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843654730	GOTCGZVZKYBWIJ-SYQHCUMBSA-N	312.410	1.544	50	20	DDGD	
COCCOc1ccccc1C=NNC(=O)[C@H]1CCO[C@H]1C	842554125	MZDBCBDICLOBGK-JSGCOSHPSA-N	306.362	1.587	50	20	DDGD	
O=S(=O)(CCCCl)N1CCn2nc(C3CC3)cc2C1	921699083	BENPEDTYLGHPHI-UHFFFAOYSA-N	303.815	1.535	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccccc1F)C(C)(C)CN(C)C	754356997	PVQZMMDZVNNOJK-LLVKDONJSA-N	324.400	1.746	50	20	DDGD	
COCc1cc(C(=O)NNc2cc(C(F)(F)F)ccn2)no1	857513769	JUYHYOVBKFAJCY-UHFFFAOYSA-N	316.239	1.992	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=C1CCCn2nccc21	853268528	HCWOHDNVDHRNBR-UHFFFAOYSA-N	322.372	1.856	50	20	DDGD	
CN1C[C@@H](C(=O)OC[C@H](CBr)C2CC2)CC1=O	859492794	RROKZGXIXVCZPY-UWVGGRQHSA-N	304.184	1.429	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNC(=O)c1ccccn1	755034790	SRIJARZHHJWKDX-UHFFFAOYSA-N	302.334	1.198	50	20	DDGD	
C[C@]1(CNS(=O)(=O)c2cncc(F)c2)C[C@H]1Br	856756545	QRJSLYOOLKJBOK-NXEZZACHSA-N	323.187	1.673	50	20	DDGD	
CC[C@H](C)C=NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1	755551111	IRRSHOAKFCSOFM-QMMMGPOBSA-N	317.798	1.749	50	20	DDGD	
CN(CC(=O)NC[C@]1(C)C[C@H]1Br)[C@H]1CCSC1	857393925	JRLPFHFADZVNMN-UMNHJUIQSA-N	321.284	1.713	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ncoc2-c2ccon2)n1	857459292	HYMBVSFPUFJXHK-UHFFFAOYSA-N	316.277	1.194	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2C[C@H]3CCCCN3C2=O)cc1F	854125973	BLSIJVKWSYUTAE-OCCSQVGLSA-N	320.368	1.914	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2cnc(C)n2C)cc1C	853280821	PUDPPTHNXDDEID-UHFFFAOYSA-N	313.361	1.434	50	20	DDGD	
CC(C)(C)CC(=O)NCC(=O)NC[C@]1(C)C[C@@H]1Br	857401226	KZJRMVVUHCABRN-ZANVPECISA-N	319.243	1.829	50	20	DDGD	
CN(NC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21)c1ccccc1	856762682	ORMSPLLODLUMEK-RRFJBIMHSA-N	301.390	1.849	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)/C=C\CN1CCOCC1	928337307	PDWVASPBPQDNCY-IHWYPQMZSA-N	309.797	1.980	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)N[C@H]1CCn2ccnc2C1	922077605	NRZVPWBECKPRIF-JTQLQIEISA-N	307.304	1.802	50	20	DDGD	
C[C@@]1(CNC(=O)N[C@@H]2CCC[C@@H]2CO)C[C@@H]1Br	856958521	MMKSPVVNZSQUHG-SVDPJWKOSA-N	305.216	1.620	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H]2CC23CCNCC3)C[C@@H]1Br	857106413	MMOIVHDFYBJEFN-HOSYDEDBSA-N	316.243	1.601	50	20	DDGD	
CNC[C@@H](C)NC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	851682615	XTJQPLQLXFOWJJ-NXEZZACHSA-N	324.450	1.425	50	20	DDGD	
O=C(Cc1c[nH]c2ncccc12)NNC(=O)OCC(F)(F)F	856022048	XSEHMTPPGQPUAK-UHFFFAOYSA-N	316.239	1.425	50	20	DDGD	
O=C(NC[C@H]1CCCC(F)(F)C1)NNC(=O)c1cn[nH]c1	858425246	FBVDPUGVJQVQND-QMMMGPOBSA-N	301.297	1.179	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2cnc(N3CCOCC3)s2)o1	755769245	USXMFQQEZWRTSH-UHFFFAOYSA-N	320.374	1.645	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(Cl)c(N)c(Cl)c1	753086544	WVXCNBJRRMYQQV-UHFFFAOYSA-N	307.137	1.375	50	20	DDGD	
CCCN1CCC(NC(=O)NNC(=O)c2cccc(F)n2)CC1	851922975	FUWFEUYFUUQFNE-UHFFFAOYSA-N	323.372	1.039	50	20	DDGD	
CCSC1(CNC(=O)NNC(=O)[C@@H]2CCCCO2)CC1	852625813	LTGDKXYECMPOHQ-JTQLQIEISA-N	301.412	1.172	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=C1C(=O)Nc2cc(O)c(Cl)cc21	853369487	YTMOYENIPZVCKT-NKWVEPMBSA-N	323.736	1.243	50	20	DDGD	
COCCC1(C(=O)NNC(=O)c2cccc(Cl)n2)CCC1	857323136	CHFGOSDBPZZBHO-UHFFFAOYSA-N	311.769	1.703	50	20	DDGD	
CC(C)(C)c1csc(NC(=O)NNC(=O)c2cnccn2)n1	755430844	VZVNNOQSUKBXLH-UHFFFAOYSA-N	320.378	1.697	50	20	DDGD	
CN(Cc1ccon1)C(=O)NC[C@@]1(C)C[C@@H]1Br	856898608	CZPKFZGHFPSSHR-GXSJLCMTSA-N	302.172	1.990	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1nn(-c2ccccc2)cc1C	756455844	VHMVZQARXKHGPF-UHFFFAOYSA-N	317.349	1.370	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C(C)=C(C)C)cc(OC)c1OC	751189482	UVBDOLZJDUVRJE-UHFFFAOYSA-N	322.361	1.830	50	20	DDGD	
Cc1oc(-c2cccs2)nc1C(=O)N1CC[C@H](B(O)O)C1	864234733	UUPYCLKDRPSMPY-VIFPVBQESA-N	306.152	1.400	50	20	DDGD	
CCn1nc(C)c(CNS(=O)(=O)CC(C)(C)CCl)n1	867428492	LVWFEYNUVULLNM-UHFFFAOYSA-N	308.835	1.291	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cc(OC)c(O)cc1Cl	865214646	VEWZCOREBDSZDJ-YHYXMXQVSA-N	310.737	1.724	50	20	DDGD	
Cc1nn(C)cc1C1=NO[C@H](C(=O)N(C)CC(Cl)Cl)C1	936000366	KQGORUYTBNSZDW-JTQLQIEISA-N	319.192	1.484	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C=NNC(=O)c2cc[nH]n2)c1C	863126134	DYTRJUHCYJYVJA-UHFFFAOYSA-N	303.322	1.295	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cccc([C@@H]2CCOC2)c1	761681547	INSWXYVLHKYOTG-CYBMUJFWSA-N	314.345	1.297	50	20	DDGD	
Cc1ccc2c(c1C)C(=NNC(=O)[C@H]1CCC(=O)N1)CCO2	863149163	STTYMDAJCYCHNI-GFCCVEGCSA-N	301.346	1.185	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@H]1CCSC1	761850595	WLARRVQHCHGUIC-QMMMGPOBSA-N	314.794	1.863	50	20	DDGD	
COc1cc(C)ccc1NC(=O)NNc1nccnc1OC	764635979	KETPQTIEBPPVOQ-UHFFFAOYSA-N	303.322	1.951	50	20	DDGD	
O=C([C@H](OC1CCCC1)c1ccccc1)N1CC[C@H](B(O)O)C1	864234817	WKLTZDONNDFBMB-GOEBONIOSA-N	317.194	1.762	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccncc2)c2ccccc2c1=O	760041167	WQNDSZFODFXYKC-UHFFFAOYSA-N	322.324	1.008	50	20	DDGD	
O=C1CCCN1c1ccc(NCc2cccc(B(O)O)c2)cc1	864019248	WUXPNSXHKGXGQA-UHFFFAOYSA-N	310.162	1.105	50	20	DDGD	
COCCOc1ccccc1C(=O)NN[C@@H](C)C(F)(F)F	862309505	RGOBVMMECXHHRF-VIFPVBQESA-N	306.284	1.897	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=C2CCC[C@@H](c3cccnc3)C2)N1	863153695	ZEGIDONQTJLOGQ-RISCZKNCSA-N	300.362	1.490	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21)[C@H]1CCCCO1	861854323	VYKRKTNALDMADG-KBUPBQIOSA-N	300.358	1.289	50	20	DDGD	
COc1nccnc1NNC(=O)CCc1nc2ccccc2o1	764470529	TUXMVOHCIUHYNU-UHFFFAOYSA-N	313.317	1.702	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1n[nH]c2cc(C(=O)O)ccc12	765578187	USWXKYDKDYPYFK-UHFFFAOYSA-N	312.289	1.057	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)cc[nH]1	862510446	HOQQAWJFCGWBGJ-ZDUSSCGKSA-N	304.394	1.292	50	20	DDGD	
Cn1c(=NNC(=O)C2(F)CCOCC2)sc2ccccc21	864719827	PMYCCZQYIRHARX-UHFFFAOYSA-N	309.366	1.690	50	20	DDGD	
Cn1cncc1CCC(=O)NNc1cncc(Br)c1	1116883829	VIVOTETYTKDULA-UHFFFAOYSA-N	324.182	1.654	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CC(C)(C)OC1(C)C	1118126834	VWDHCMPUBXXEFT-GARJFASQSA-N	313.398	1.088	50	20	DDGD	
CC(C)[C@@H](O)C(=O)NNC(=S)Nc1cccc(Cl)c1	873787294	ZQYAAKDQTAFFOP-SNVBAGLBSA-N	301.799	1.675	50	20	DDGD	
C[C@@H]1CC[C@@H](C(=O)NNc2nccc(N3CCOCC3)n2)C1	776489247	UOFAOPCBXFMXQG-VXGBXAGGSA-N	305.382	1.193	50	20	DDGD	
O=C(NNc1cnccn1)c1ccc(-c2cncnc2)cc1F	775904039	WIHIKPYLPGZNNJ-UHFFFAOYSA-N	310.292	1.830	50	20	DDGD	
CSc1cccc(C)c1NC(=O)C(=O)NNC(=O)CC1CC1	770771060	FPGRJQOMHREWJX-UHFFFAOYSA-N	321.402	1.603	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCC(C)(C)C1	772260932	WPCCLKPXNKFWQZ-NWDGAFQWSA-N	312.410	1.938	50	20	DDGD	
COCCOCC(=O)NN=C1CCCCc2ccc(N)cc21	872399611	GBDFXXYJTIWXAW-UHFFFAOYSA-N	305.378	1.479	50	20	DDGD	
CC(=O)NNC(=O)Cc1ccccc1I	771253649	YGRZNYVGKFABGN-UHFFFAOYSA-N	318.114	1.001	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NN=C1CCC[C@H]1F	872352136	FKQSBGANUGPOFP-SECBINFHSA-N	302.350	1.688	50	20	DDGD	
C=CCNc1ncc(C(=O)NN=c2cc[nH]cc2Cl)s1	771036854	WOHSDIMCFDTUCI-UHFFFAOYSA-N	309.782	1.968	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc(COC(C)(C)C)on1	771328308	UBTVTFHHLVZQDQ-UHFFFAOYSA-N	321.337	1.096	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cnc(C(C)(C)C)nc2)n1	775565959	UTBXCWHPIHQFSL-UHFFFAOYSA-N	317.353	1.721	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCOc2c(C)cc(C)cc21	779823383	OJYUHWRDRSCHGD-UHFFFAOYSA-N	305.334	1.262	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1cnn(C[C@@H]2CCCO2)c1	775641397	OXEJRLDANGGXCM-NSHDSACASA-N	321.316	1.140	50	20	DDGD	
CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CO)o2)cc1	776778576	YGZGYQNNKAOTHQ-UHFFFAOYSA-N	316.313	1.566	50	20	DDGD	
CCN(CCO)NC(=O)c1c(Cl)ccnc1Br	1123903516	PPXNKJPCROCVBM-UHFFFAOYSA-N	322.590	1.457	50	20	DDGD	
CC(C)(CNC(=O)NNc1ccc(C#N)cn1)CN1CCCC1	888871375	JLSYCLVLXIVSKX-UHFFFAOYSA-N	316.409	1.701	50	20	DDGD	
COc1cccc(NNC(=O)Nc2ccnc(CN(C)C)c2)n1	880613287	SDFDDGAKTOIVPI-UHFFFAOYSA-N	316.365	1.695	50	20	DDGD	
CS[C@@H](C)CCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	773181513	HVPZZBIXLAPYKF-GWCFXTLKSA-N	324.402	1.506	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NC[C@@H]2C=CCC2)cc1	883782406	DKIDQZRNEJUXPW-LLVKDONJSA-N	304.350	1.997	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(N=S(C)(C)=O)cc1	888244483	BLMZGEMMXDQOPW-UHFFFAOYSA-N	314.411	1.660	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)Nc1noc(C)n1	781110757	JKVFJVINWDTIOI-UHFFFAOYSA-N	322.350	1.410	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1cnc2sccn2c1=O	781365533	UGDMAHNFRUXLJX-UHFFFAOYSA-N	305.294	1.047	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(Br)c[nH]1	161251795	MPGRWWUMKXBCDP-VIFPVBQESA-N	316.155	1.107	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)CO1	784143076	BUNYWVRIMOHQRP-JQWIXIFHSA-N	314.345	1.263	50	20	DDGD	
C[C@H]1CCCN([C@@H](C)CNC(=O)NNc2ccc(C#N)cn2)C1	887705379	NBYQBENPIXEKRY-STQMWFEESA-N	316.409	1.700	50	20	DDGD	
C#CCCCC(=O)NNC(=O)/C=C\c1ccc(OC)c(OC)c1	887139634	XDQTUHZAGRLSEQ-LUAWRHEFSA-N	316.357	1.668	50	20	DDGD	
COCc1ncsc1C(=O)NNC(=O)c1ccccc1OC	786130221	VJPKZXISFFDMKX-UHFFFAOYSA-N	321.358	1.373	50	20	DDGD	
O=C(C[C@@H]1CC(=O)N1)NNc1cc(Br)ccc1F	885149126	LJFGZZAJPQWYJW-ZETCQYMHSA-N	316.130	1.310	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)Nc1ccc2c(c1)NC(=O)C2	889708290	SWOLJFKCDWLCSH-UHFFFAOYSA-N	316.361	1.914	50	20	DDGD	
CO[C@]1(C(=O)NNc2nc3ccccc3n2C)CCSC1	897740009	SSZCIDQTDQIFLK-CQSZACIVSA-N	306.391	1.539	50	20	DDGD	
COc1cc(NNC(=O)NCCNC(C)=O)ccc1Cl	788848354	HGVQBITWMONNKQ-UHFFFAOYSA-N	300.746	1.111	50	20	DDGD	
COc1cccc(NNC(=O)c2cn(C)nc2-c2ccncc2)n1	780770811	VRQKUBZSMDCKDH-UHFFFAOYSA-N	324.344	1.643	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NC[C@]2(C)C[C@H]2Br)C(=O)O1	895922907	MIIQVZHMRJKDCY-UVMAFCGOSA-N	305.172	1.163	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@@H]1CCC(=O)c2cccn21	788741503	HTZSXMKKGLBIJM-QMMMGPOBSA-N	303.240	1.106	50	20	DDGD	
O=C(NNc1ncccn1)c1csc(N2CCCCC2)n1	895630524	LLPFNLRFCYKKTC-UHFFFAOYSA-N	304.379	1.680	50	20	DDGD	
CCn1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2)nn1	899346099	BIZZJVSODAVJFS-MDWZMJQESA-N	311.345	1.530	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)n1C	899947990	BWIPWAPQURYDKQ-VIFPVBQESA-N	320.324	1.096	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H]2CO[C@H](C)C2)c(C)c1	784767466	ODMGCKAEUTWQSZ-CHWSQXEVSA-N	305.378	1.288	50	20	DDGD	
N#Cc1cccc(CNC(=O)NNc2ncncc2Cl)c1	780961881	NBGAIEAFZWNNLK-UHFFFAOYSA-N	302.725	1.828	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1cccc(O)c1O	790483055	HULCNQDTEBUTKP-UHFFFAOYSA-N	320.732	1.755	50	20	DDGD	
COCCCC(=NNC(=O)N1CCOCC1)c1ccc(F)cc1	799478948	GSFTXSIZENILMO-UHFFFAOYSA-N	323.368	1.998	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Cc2ccc([S@](C)=O)cc2)n1	797807870	PFCVYWOQRVVBEX-QFIPXVFZSA-N	318.402	1.517	50	20	DDGD	
COCC(=O)NNC(=O)Nc1nc2c(s1)CCCCCC2	799436728	SXXIJQYXYPCZSN-UHFFFAOYSA-N	312.395	1.601	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNc1nc(-c2cccnc2)no1	793478706	NOYHQTXPHABDDF-MWLCHTKSSA-N	305.338	1.636	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCC[C@@H](C)CO)cc1	1319528490	HBQNPLZOAGDHDX-LLVKDONJSA-N	309.366	1.048	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cncc(OCC(F)F)c1	1319287114	MHSRQSOEECJZQB-UHFFFAOYSA-N	314.292	1.080	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2ccc(C(N)=O)cc2)CC1	1317877863	RFIXEDTXIVEGMV-UHFFFAOYSA-N	316.405	1.358	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccccc2Cl)ccn1	1317873732	SXWRPMKHYBEHHO-UHFFFAOYSA-N	305.721	1.818	50	20	DDGD	
Cc1[nH]nc2ncc(C(=O)NNc3nncc(N)c3Cl)cc12	1319406300	RLEPZDWCNYKEAI-UHFFFAOYSA-N	318.728	1.049	50	20	DDGD	
CN(C)CCC(=O)NNC(=S)Nc1cccc(F)c1F	1319446987	WBJZDONQHIAUMG-UHFFFAOYSA-N	302.350	1.234	50	20	DDGD	
CCCc1ccc(C(=O)CCC(=O)NN(CC)CCO)cc1	1329863467	YYCYGBMMBXMQJU-UHFFFAOYSA-N	306.406	1.947	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H](C)Cc2cnc[nH]2)cc1	1327066786	FQECEQJMNBMMCJ-JTQLQIEISA-N	302.334	1.058	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H]2CCCC[C@@H]2N(C)C)c1	1328783622	POVBNMYXIIOIOJ-RYUDHWBXSA-N	324.450	1.873	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)C1(O)Cc2ccccc2C1	1325038217	GHIOFGSYEJXGLD-UHFFFAOYSA-N	303.749	1.708	50	20	DDGD	
COCC(=NNC(=O)C(=O)OC)c1cccc(Cl)c1F	1327802956	VGIZIWPKKDJPJT-UHFFFAOYSA-N	302.689	1.119	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ccnc(F)c2F)c1Cl	1324954831	QVVNZJKXQKTSSA-UHFFFAOYSA-N	300.656	1.142	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(OCC2CC2)nc1	1327149582	FHDIMSXXQHJRBW-MFKMUULPSA-N	319.361	1.056	50	20	DDGD	
C[S@](=O)CCCNC(=O)NC[C@@]1(C)C[C@H]1Br	1339770589	BQMKAHANFVUSSB-FUXNSRLFSA-N	311.245	1.228	50	20	DDGD	
O=C(NN=C1CCCN2CCCC[C@H]12)c1nc[nH]c2ncnc1-2	1330917653	KNOQYKCRDKCZLY-LLVKDONJSA-N	313.365	1.039	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc(C#N)c(C)n2)n1	1330777795	MKNKVQDYOCXPOK-UHFFFAOYSA-N	302.725	1.770	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ncc(Cl)s1)C1CC1	1331223410	SRYOVDDWABJEBU-YFKPBYRVSA-N	304.828	1.704	50	20	DDGD	
CN1CCN(c2ccc(C=NNC(=O)C3CCC3)cc2F)CC1	1251752002	SUZDBGQORMHJCN-UHFFFAOYSA-N	318.396	1.828	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H]2CCCC[C@H]2C1)c1cccnn1	1330856021	MURBCUCWDCZFIS-NEPJUHHUSA-N	303.366	1.343	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccsc2CC(=O)O)n1	1600182413	FMOHIMCWOHCYIW-UHFFFAOYSA-N	306.347	1.539	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1cccc2nsnc12	1606528374	CGELETCJXLLYCT-UHFFFAOYSA-N	315.314	1.541	50	20	DDGD	
Cc1cc(NC(=O)NNc2ccc(Cl)nn2)ncc1C(=O)O	1600270822	QTRLOBZTKKYGCW-UHFFFAOYSA-N	322.712	1.680	50	20	DDGD	
O=C(CC[C@@H]1C[C@H](C(=O)O)CO1)NNc1ncccc1Cl	1608314076	ILOKFGSJRTUXFC-DTWKUNHWSA-N	313.741	1.448	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCC2(C(=O)O)CC2)cc1	1610041085	QBBVOQDDAHGSOV-UKTHLTGXSA-N	314.341	1.973	50	20	DDGD	
CCOc1ccc(C(=O)NN=CC[C@@H](C)C(=O)O)cc1OC	1610039226	JONKYCXKSYCKPX-SNVBAGLBSA-N	308.334	1.920	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])[nH]1	1610822357	GAKAHOXOLIYPMY-UHFFFAOYSA-N	308.225	1.517	50	20	DDGD	
C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)Br)C2	1801601714	VDDOXNAXQRQJKI-CHWFTXMASA-N	313.195	1.041	50	20	DDGD	
O=C(Cc1ccc2c(c1)OCO2)NNc1ccccc1C(=O)O	1610675474	WUBBSGWSYJXODP-UHFFFAOYSA-N	314.297	1.799	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@@]2(C)CCCN2)c1	1579706574	RBUDODLXJHBIQD-CQSZACIVSA-N	310.398	1.594	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@@H](C)CC(=O)O)c1ccccc1	1589429023	CXKSOTOVOHJMBV-JQWIXIFHSA-N	307.350	1.374	50	20	DDGD	
C=CCC(=O)N1CC2(CCCN2C(=O)[C@@H](C)Br)C1	1846179587	MDGPXWPFJSXFHM-SNVBAGLBSA-N	315.211	1.549	50	20	DDGD	
Br[C@H]1[C@@H]2CN(c3ccc(-c4nn[nH]n4)cn3)C[C@H]12	1588315837	ITWNMEVBUUESJY-MBTKJCJQSA-N	307.155	1.091	50	20	DDGD	
O=C(/C=C/C1CC1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843361367	CLCKJFOXZSKGMG-ITKZLYELSA-N	300.761	1.690	50	20	DDGD	
C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](F)Cl	1847813181	XFSNYBKUOGTTKC-BJDJZHNGSA-N	318.776	1.314	50	20	DDGD	
CCc1ccc(NNC(=O)c2ccc(-c3nn[nH]n3)c(C)n2)cc1	1590891437	MGZKXEMODGYNAO-UHFFFAOYSA-N	323.360	1.889	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H]2CO[C@H](CCC(=O)O)C2)cc1	1592705623	TYZVCWXHOVZLMZ-BXUZGUMPSA-N	322.361	1.798	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCc1ccc(-c2nn[nH]n2)cc1F	1592662342	AUOMHGKNAWXAMY-XGICHPGQSA-N	313.292	1.909	50	20	DDGD	
Cn1c(NNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)nc2ccccc21	1594521368	FVSWTHBXGAVKNF-VHSXEESVSA-N	302.334	1.517	50	20	DDGD	
CO[C@@H]1CC[C@@H](NC(=O)NNc2ccc(CC(=O)O)cc2)C1	1599102371	KXQNGDFSOMIGIO-CHWSQXEVSA-N	307.350	1.507	50	20	DDGD	
CC(C)Cn1cc(C=NNC(=O)c2cccc(C(=O)O)c2)nn1	1776096179	OKXYPMHCINIRHL-UHFFFAOYSA-N	315.333	1.396	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl)[C@H]1CCOC1	1796810065	NRWSTGWNOCVLLJ-SVNGYHJRSA-N	318.776	1.196	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)on1	17158554	OMTRQIDWDGHGAT-UHFFFAOYSA-N	303.362	1.960	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)Cc2ccoc2)cc1	161617589	UXFLKKSRVPGLME-UHFFFAOYSA-N	303.318	1.090	50	20	DDGD	
COc1cc(CC(=O)NNc2ncccc2[N+](=O)[O-])ccc1C	153567951	XIOGBIAEEMGJMZ-UHFFFAOYSA-N	316.317	1.993	50	20	DDGD	
Cc1ccc(C)n1-c1cc(B(O)O)cc(-n2c(C)ccc2C)n1	669370668	SCSHNPZIBSAVCC-UHFFFAOYSA-N	309.178	1.576	50	20	DDGD	
CC[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(B(O)O)cc1	584941324	BBYMLUWQAPUDSJ-AWEZNQCLSA-N	311.190	1.807	50	20	DDGD	
O=C(NNC(=S)NCCc1ccccc1)c1ccccn1	7557738	LQNBXHNPQVHBRC-UHFFFAOYSA-N	300.387	1.433	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)Cc1cccc2ccccc12	106417034	VPVRIABSSGXPKA-UHFFFAOYSA-N	308.341	1.496	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccc(C(N)=S)cc2)c1	103549729	OEOQBZMIIDGWJH-UHFFFAOYSA-N	324.365	1.267	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2ccsc2)cc1	57672764	AHIBJLSZHODTMB-UHFFFAOYSA-N	305.359	1.630	50	20	DDGD	
Nc1nccnc1C(=O)NNC(=O)Cc1ccc2ccccc2c1	53606283	KGTCKKJHOHUTGO-UHFFFAOYSA-N	321.340	1.216	50	20	DDGD	
O=C(CCn1cnc2ccccc21)NNC(=O)Cc1cccnc1	103456890	RCNLUGMYKDIOJV-UHFFFAOYSA-N	323.356	1.212	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CNC(=O)c2ccco2)cc1	101603270	YZDRWNJCAFALBV-UHFFFAOYSA-N	316.317	1.171	50	20	DDGD	
CN(C)N(C(=O)c1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1	68742266	PWOTYHMCYFLIIK-QMMMGPOBSA-N	322.839	1.507	50	20	DDGD	
O=C(NNC(=O)c1sccc1OC(F)F)c1ccncc1	170915839	YLOLVVFSCZGYNS-UHFFFAOYSA-N	313.285	1.819	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)c2c(C)nc3ccccn23)o1	175788848	BNUZVYPHLGGKPU-UHFFFAOYSA-N	312.329	1.927	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccc(Br)cc2)CCN1	178915543	DXJJQRRSFFGTCS-MRVPVSSYSA-N	312.167	1.418	50	20	DDGD	
CC(C)n1cc(NC(=O)C(=O)NNc2c(F)cccc2F)cn1	119738643	COURZOPXXMQJLB-UHFFFAOYSA-N	323.303	1.824	50	20	DDGD	
Cc1nc2cc(F)cc(C(=O)NNC(=O)NC(C)C)c2nc1C	63271735	YPAFTAIIRMXQBI-UHFFFAOYSA-N	319.340	1.738	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNC(=O)[C@@H](C)CN1CCCCCC1	170992411	WNEGBQJAFFLZHY-UQRISPGASA-N	322.409	1.090	50	20	DDGD	
CN(C)[C@H]1CCC[C@@H](NC(=O)NNC(=O)OC(C)(C)C)C1	176611544	NFRGGPDNDXSMCA-MNOVXSKESA-N	300.403	1.598	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1C[C@@H]1C1CC1	176489537	AEXCEDSANCCKRV-MVWJERBFSA-N	306.337	1.787	50	20	DDGD	
Cc1nc2n(n1)C[C@H](NC(=O)NNc1ccccc1Cl)CC2	171086422	XZSXEBWGLNJTFV-SNVBAGLBSA-N	320.784	1.881	50	20	DDGD	
O=C(NNC(=O)c1ccc(Br)cn1)c1ccncc1	171347631	CCYRVCISIGEALN-UHFFFAOYSA-N	321.134	1.314	50	20	DDGD	
O=C(CCc1ncc(-c2ccccc2)o1)NNC(=O)NC1CC1	64429193	KWAHGVSXIQJLHR-UHFFFAOYSA-N	314.345	1.767	50	20	DDGD	
Cc1ccc(NNC(=O)Cn2ncc3ccccc3c2=O)cc1	127995116	KUVYREKYGFSKQL-UHFFFAOYSA-N	308.341	1.848	50	20	DDGD	
CCOC(=O)NNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12	121965268	WSCYCCZMISIMPY-UHFFFAOYSA-N	306.278	1.396	50	20	DDGD	
COCCCCC(=O)NNC(=O)CCc1ccc(OC)cc1	121332025	WTNFSQOCAABXTO-UHFFFAOYSA-N	308.378	1.592	50	20	DDGD	
O=C(Cc1c(F)cccc1F)NNC(=O)NCc1ccco1	127719634	GYYOKAQCNIWIBK-UHFFFAOYSA-N	309.272	1.631	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C(=O)N1CCCC1)c1ccc(F)cc1	124219913	LKUJDPTVYQDDLG-CYBMUJFWSA-N	321.352	1.089	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cc(-n2cnnn2)ccc1F	184822647	ZWTXEFWWGRCYMW-QMMMGPOBSA-N	321.316	1.000	50	20	DDGD	
C[C@H]1CCN(CC(=O)NNC(=O)c2ccccc2)C[C@H](C)C1	127900207	MCTLGSLLALXMBK-UONOGXRCSA-N	303.406	1.816	50	20	DDGD	
C[C@H](NC(=O)NNc1c(F)cccc1F)c1nnnn1C1CC1	188871757	MPSYXGORBZFJKZ-ZETCQYMHSA-N	323.307	1.674	50	20	DDGD	
C[C@H](C[S@@](C)=O)NC(=O)NNc1c(F)cccc1Cl	185646586	JXYZLXNOBLEHDR-QOLSBQFWSA-N	307.778	1.872	50	20	DDGD	
COC[C@H](C)NC(=O)NNC(=O)Cc1cccc2ccccc12	125597626	OIGSKRCFRGJSEX-LBPRGKRZSA-N	315.373	1.748	50	20	DDGD	
O=C(CCc1ccncc1)NNC(=O)c1cc(Cl)ccc1O	78899645	UGMFQCDTOGKHSX-UHFFFAOYSA-N	319.748	1.834	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1csc(-c2cccc(F)c2)n1	122934251	JDYSXVWMWBSINS-UHFFFAOYSA-N	322.365	1.842	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCc1cc2ccccc2o1	120797035	XIYHEBDSRGOCDP-UHFFFAOYSA-N	305.334	1.342	50	20	DDGD	
Cc1c(F)cccc1NC(=O)C(=O)NNC(=O)CC1CCCC1	125927039	SQGHBIVAOZNKEP-UHFFFAOYSA-N	321.352	1.800	50	20	DDGD	
CC[C@H]1CCC[C@@H](NC(=O)NNC(=O)Cn2nc(C)cc2C)C1	77855794	GHYZFXXVIYUECW-UONOGXRCSA-N	321.425	1.799	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1cnn(C)c1)Cc1cccc(F)c1	73796288	FCVAACJVEQFJHD-LLVKDONJSA-N	318.352	1.589	50	20	DDGD	
CCOC(=O)c1ccc(/C=C(\C#N)S(=O)(=O)NC2CC2)o1	188032846	UBNOYBYPUSFFCR-YRNVUSSQSA-N	310.331	1.403	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCC(=O)N1CCCc2ccccc21	139245080	YYLLZGWEYJUHGS-KAMYIIQDSA-N	313.357	1.526	50	20	DDGD	
COc1nccnc1NNC(=O)c1csc(CC(C)C)n1	184363674	WCHPGGFSPJYHGD-UHFFFAOYSA-N	307.379	1.897	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1F)N[C@@H]1CCSC1	83234924	NTUGVTKGCOFSHX-MRVPVSSYSA-N	317.773	1.929	50	20	DDGD	
C[C@@H]1CCNC(=O)[C@@H]1NC(=O)/C(C#N)=C\c1ccc(F)cc1	195149640	LPSDRUZVSVQWMU-NGJQAGNDSA-N	301.321	1.373	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)o1	84373696	DQAXHWVXZMCEKF-YGRLFVJLSA-N	316.313	1.578	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccccc1O)c1ccc(C#N)cc1	47052591	DLXREVFGSDWMLK-NSHDSACASA-N	324.340	1.969	50	20	DDGD	
CC(C)Oc1cncc(C(=O)NNc2ncccc2[N+](=O)[O-])c1	132685131	KIJXVEQVRQJERY-UHFFFAOYSA-N	317.305	1.929	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](C)CCc2cccn2C)o1	84161580	IHICWQHGGKLTBO-LLVKDONJSA-N	318.377	1.892	50	20	DDGD	
CCC(CC)(CN)C(=O)NNc1nc(-c2ccccc2)no1	236692705	WZCGIBITHKIBJB-UHFFFAOYSA-N	303.366	1.945	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2ccccc2[N+](=O)[O-])n1	193880853	OGNBYKYDNLCQQK-UHFFFAOYSA-N	315.289	1.380	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)C(=O)NNC(=O)c1ccoc1	93176004	MHUJDUBJCTVNSS-UHFFFAOYSA-N	321.720	1.010	50	20	DDGD	
C[C@@H]1CCCN(C(C)(C)CNC(=O)NNC(=O)C(C)(C)C)C1	97257348	YMOOLWGTUZGALH-GFCCVEGCSA-N	312.458	1.873	50	20	DDGD	
C[C@@H]1CC[C@@H](NC(=O)NNC(=O)Cc2cccnc2)C[C@H]1C	248566335	KVWLLULQXKZQLQ-YRGRVCCFSA-N	304.394	1.779	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cccnc1OCC(F)(F)F	264804360	URHBKYGJPOJTCJ-UHFFFAOYSA-N	317.267	1.584	50	20	DDGD	
Cc1c(NNC(=O)NCCNC(=O)C2CC2)cccc1[N+](=O)[O-]	263991629	VXHLFNHDIYJJDD-UHFFFAOYSA-N	321.337	1.056	50	20	DDGD	
Cn1cc(C[C@@H]2CCN(CCI)C2)cn1	365419292	TYHNXYBZRUBZHV-JTQLQIEISA-N	319.190	1.720	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)nc1	363736299	IQVHLUPQESJFGV-IACUBPJLSA-N	320.393	1.920	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc(C)ccc1F	276539400	IRORWHYRYFZTEH-UHFFFAOYSA-N	312.341	1.684	50	20	DDGD	
CCN1CCCN(C(=O)[C@@H](Br)C(C)(C)C)CC1=O	364920820	HRHHNMJSJAORQP-LLVKDONJSA-N	319.243	1.877	50	20	DDGD	
C=C(C)[C@@H](CC(=O)NNC(=O)c1ccc(C)cc1O)OCC	270477909	STEUOIRVJQGKFZ-CQSZACIVSA-N	306.362	1.833	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(CSC)cc1	276101404	GCQVWKMABUJLAH-UHFFFAOYSA-N	324.406	1.181	50	20	DDGD	
COC1(C(=O)NNc2nnc(-c3ccccn3)s2)CCC1	276510311	WESIEWFRMSKBLR-UHFFFAOYSA-N	305.363	1.612	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@@H](NC(=O)NNc2cncc(Cl)n2)C1(C)C	271941874	WPPGFIIGDHQKPI-AVPPRXQKSA-N	313.789	1.816	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cncc(OC)n1)c1ccccc1	277199815	FHODJWGMFVAWIR-GFCCVEGCSA-N	314.345	1.440	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNC(=O)C1=CCCCC1	275434569	JHNZZAGBTWQSAE-UHFFFAOYSA-N	307.375	1.126	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)N2CCC[C@@H](C)C2)s1	274434880	GJVVWUVWTMYADH-SECBINFHSA-N	309.391	1.076	50	20	DDGD	
O=C(NCc1cnc2n1CCCC2)NNc1cccc(F)n1	376412891	IXYZZXMLQCCZDB-UHFFFAOYSA-N	304.329	1.580	50	20	DDGD	
COc1ccnc(NNC(=O)NCCC[C@@H]2CCCCO2)n1	273667813	HHFAVJPQNDIHRV-NSHDSACASA-N	309.370	1.461	50	20	DDGD	
CN(C)c1ccncc1C(=O)NNc1nnc(C2CC2)s1	273618522	LPZBSHSUGIQKCZ-UHFFFAOYSA-N	304.379	1.633	50	20	DDGD	
COc1cc(SC)ccc1NC(=O)NNC(=O)CN(C)C	278296598	IBABMZFNEBBQDO-UHFFFAOYSA-N	312.395	1.131	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H](c1ccccc1)N1CCSCC1	286295418	JNZUGEFMTBESRJ-CYBMUJFWSA-N	323.418	1.506	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C2CC(OCC)C2)c1	286535044	CEMDIOMLXMVWRY-UHFFFAOYSA-N	317.414	1.801	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)CC(C)(C)OC)nc1C	280254011	NHIVPPABRGGJFT-UHFFFAOYSA-N	310.354	1.220	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)c2c[nH]c3ccccc23)C1	286617615	IWJHPZXWUNUVCW-UHFFFAOYSA-N	301.346	1.744	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C[C@H]2CCCCO2)cc1	282947321	TXGYNBLKDIKXCV-CYBMUJFWSA-N	319.361	1.040	50	20	DDGD	
CCC(CC)n1nc(C)cc1C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	293851344	HRJWFAUITIXONX-FZMZJTMJSA-N	322.409	1.881	50	20	DDGD	
CCOc1ccc(NNC(=O)C(=O)Nc2c(C)noc2C)cc1	293832912	VYLUZVAGLCAXSL-UHFFFAOYSA-N	318.333	1.772	50	20	DDGD	
C#CCO[C@@H](C)C(=O)NNc1ccc(C(=O)OCC)c(C)c1	295925365	FRAUEKIATGUMLU-LBPRGKRZSA-N	304.346	1.653	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1F	295362556	JISSOUQRMSCOHL-NSHDSACASA-N	311.269	1.064	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)[C@@H]1CCCO1)c1ccccc1	291544312	AMCIFHWSVDBJNO-JSGCOSHPSA-N	305.378	1.690	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2scnc2C(C)(C)C)O1	294008762	VTAQHTGIVDSZMD-IUCAKERBSA-N	311.407	1.769	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccc(C)o2)cc1	801106995	KJNFROAGHGQNIH-UHFFFAOYSA-N	315.329	1.225	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C2=CCOCC2)cc1	808299820	QVGCKBFQVYZMCK-UHFFFAOYSA-N	304.346	1.122	50	20	DDGD	
O=C(CCC1CCOCC1)NNc1ccc(-n2ccnc2)nn1	804955628	SVQUXAIWSLDLRF-UHFFFAOYSA-N	316.365	1.312	50	20	DDGD	
O=C(NNc1ncncc1F)N[C@@H]1C[C@@H]1Cc1ccccc1	292502694	COBIXIJMMDKCFE-WCQYABFASA-N	301.325	1.873	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)c1c[nH]nc1[N+](=O)[O-]	801641717	JFXIHTBJTKCSEN-UHFFFAOYSA-N	312.289	1.931	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)[C@@H]2CCCCC(=O)N2)c1	293907441	KSMAJPRRMGOFOL-ZDUSSCGKSA-N	304.350	1.147	50	20	DDGD	
CC[C@@H](CC1CCCCC1)C(=O)NNC(=O)N1CCN(C)CC1	807383011	YOHKMZIHSLNERX-HNNXBMFYSA-N	324.469	1.971	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2ccc([C@H](C)O)cc2)n1	299532352	OGFSCPFZLZPNHS-JTQLQIEISA-N	317.349	1.365	50	20	DDGD	
Cc1nc(Cl)ccc1S(=O)(=O)NNC(=O)C1CCCC1	808076162	OXLLWVLLLNWKQH-UHFFFAOYSA-N	317.798	1.543	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cccc(C(=O)O)c1Cl	814776986	MMOPZCZKBMZNNE-UHFFFAOYSA-N	311.725	1.013	50	20	DDGD	
COC(=O)C(C)(C)CC=NNC(=O)CNc1cccc(OC)c1	814764460	SKVDPHRHFWSLDR-UHFFFAOYSA-N	321.377	1.798	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1CCO[C@@H](C(F)(F)F)C1	814794787	LOUHMWLWQKNGGG-SSDOTTSWSA-N	322.312	1.861	50	20	DDGD	
Cn1c(CC(=O)NNC(=S)NC2CCC2)nc2ccccc21	814191495	KEHQPTCRUKDFEQ-UHFFFAOYSA-N	317.418	1.164	50	20	DDGD	
O=C(NN=Cc1cnn(CC(F)F)c1)c1ccc2c(c1)OCO2	814212485	CYNJFKWNWLJEFU-UHFFFAOYSA-N	322.271	1.641	50	20	DDGD	
CCn1ccnc1C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	813364092	FFEBRMZOAPZNPA-UHFFFAOYSA-N	324.344	1.368	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2cn(C)nc2C(F)F)cs1	812223747	KPBTUCZATQZMJX-UHFFFAOYSA-N	313.333	1.815	50	20	DDGD	
COCCCNC(=O)NN=C1CC[C@H](C(=O)O)C(C)(C)[C@@H]1C	814820136	YFUBAKKMYGPBPG-GHMZBOCLSA-N	313.398	1.835	50	20	DDGD	
COC(=O)c1cc(C(=O)NNC(=O)c2ccc(Cl)cc2)c[nH]1	814192871	GCIJKRHGMJWSJE-UHFFFAOYSA-N	321.720	1.530	50	20	DDGD	
CC(C)CC(CC(C)C)=NNC(=O)[C@H](C)NS(C)(=O)=O	728435445	AXPFNLCLVPKRRI-NSHDSACASA-N	305.444	1.489	50	20	DDGD	
CC(C)(CNS(=O)(=O)CCl)N1CCc2ccccc2C1	829910128	CEOSMAHEOBFCDW-UHFFFAOYSA-N	316.854	1.939	50	20	DDGD	
C[C@H](CBr)CN1CCC[C@H](c2nnc(O)o2)C1	829438925	UBCDEJQHXPYFPX-BDAKNGLRSA-N	304.188	1.986	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1	822572338	KLXUCVRBNLZWNH-LBPRGKRZSA-N	306.322	1.727	50	20	DDGD	
O=C(NNc1cnccn1)c1csc(N2CCCCC2)n1	828208310	JXCLVPHHHSDTPI-UHFFFAOYSA-N	304.379	1.680	50	20	DDGD	
CC(C)C1CCC(=NNC(=O)[C@H]2CCS(=O)(=O)C2)CC1	729635441	UGESPQVNPHWREO-KIYNQFGBSA-N	300.424	1.740	50	20	DDGD	
CN(C(=O)/C(C#N)=C\c1cnn(C)c1)[C@H](CCO)c1ccccc1	491159035	HELZYHKLLOZYOZ-LPPOOGIUSA-N	324.384	1.909	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H]1CCN1C1CCCC1	821721265	ZRKDNOAPINQLAC-OAHLLOKOSA-N	317.389	1.933	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cccc2c1CCOC2	820937364	WWHKUJTYYOGUCM-AWEZNQCLSA-N	304.346	1.089	50	20	DDGD	
CC[C@@H](CNC(=O)NNc1cccnn1)NC(=O)OC(C)(C)C	496382606	NZLFDKHURDXDJO-JTQLQIEISA-N	324.385	1.406	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccncc1Cl	826447460	GNYOFSRITJJGIE-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)c1	826180378	FARNWUIYNLBJTH-UHFFFAOYSA-N	317.284	1.099	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C1CCN(C(=O)OC(C)(C)C)CC1	491508981	GWBGZXHVSDJBNS-UHFFFAOYSA-N	321.381	1.835	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc(F)cc(F)c1	726075509	JBGIRXRMKNJMJV-UHFFFAOYSA-N	317.361	1.452	50	20	DDGD	
CCN(CCO)NC(=O)c1c(C)nc(C2CC2)nc1SC	823846229	GECUNVQAFQLKFC-UHFFFAOYSA-N	310.423	1.343	50	20	DDGD	
C[C@]1(C(=O)N2CCC(O)(C(F)F)CC2)C[C@@H]1Br	907543330	DFZTVYGGXLBOQK-XVKPBYJWSA-N	312.154	1.779	50	20	DDGD	
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)NC1CC1	491011353	WMGMPWXGCHGAQS-JTQLQIEISA-N	314.386	1.029	50	20	DDGD	
CC(C)c1cc(C(=O)NN(C)[C@H](C)CO)nn1-c1ccccc1	823947309	WDTLOJJYRGHEMY-CYBMUJFWSA-N	316.405	1.953	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(Br)cc1F	495628314	FXKIOQQUDGTELP-UHFFFAOYSA-N	305.103	1.931	50	20	DDGD	
CC(C(=O)NNC(=O)[C@H]1COc2ccccc2O1)=C1CCC1	823609430	VVXVHHBMWPAQGR-CQSZACIVSA-N	302.330	1.474	50	20	DDGD	
CC(C)(C)NC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	494300117	QMSNDXGXONNYDB-UHFFFAOYSA-N	316.402	1.420	50	20	DDGD	
C[C@H](NCc1ccccc1B(O)O)c1cccc(OC(F)F)c1	585015623	HPSDWRXWJACROJ-NSHDSACASA-N	321.132	1.819	50	20	DDGD	
COC(=O)Nc1cccc(NC(=O)NN=c2cc[nH]cc2)c1	495506959	BYMSRXRQQOBAOS-UHFFFAOYSA-N	301.306	1.830	50	20	DDGD	
CN(C)c1cccnc1CNC(=O)[C@]1(C)C[C@@H]1Br	908276017	CFISQWNKEACDHW-WCQYABFASA-N	312.211	1.937	50	20	DDGD	
COC(=O)CCn1nc(C)c(C=NNC(=O)C2CCC2)c1C	731934301	UYPHRYHEXWAKOF-UHFFFAOYSA-N	306.366	1.313	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)COc1ccc(C)c(C)c1)C(C)C	491667691	RZXINJAGEHKWPL-HNNXBMFYSA-N	317.389	1.670	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNC(=O)c1cccc2cccnc12	822880033	XGWHQIHPDGUDFR-GFCCVEGCSA-N	319.386	1.110	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=Cc1cccc(F)c1F	730728067	IWCFSIGWXNSQNO-UHFFFAOYSA-N	324.312	1.442	50	20	DDGD	
C[C@@H](CCOCc1ccccc1)NCc1ccc(B(O)O)o1	585040955	KVTQXQZRUUDLBW-ZDUSSCGKSA-N	303.167	1.044	50	20	DDGD	
OB(O)c1cccc(CNCC2(c3ccc(F)cc3F)CC2)c1	585031940	MEDVGKNHQMQRPT-UHFFFAOYSA-N	317.144	1.466	50	20	DDGD	
COC(=O)N(C)N=C1CCS(=O)(=O)c2ccc(Cl)cc21	495675843	DLIFZAMEQILERQ-UHFFFAOYSA-N	316.766	1.920	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cccc(C2OCCO2)c1	833246670	PGEZWVZFQNCRIV-CYBMUJFWSA-N	320.345	1.062	50	20	DDGD	
CN(C(=O)c1cccc(B(O)O)c1)[C@@H]1CCC[C@@H]1C(C)(C)C	585001401	XGLGVKFQRLVLPN-LSDHHAIUSA-N	303.211	1.653	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)[C@H]1CCCCO1)C(=O)c1ccccc1	833251093	QETCWBXZULRPJG-TZMCWYRMSA-N	318.373	1.612	50	20	DDGD	
CCC[C@H](O)[C@@H](CO)NC(=O)/C(C#N)=C\c1ccc(F)cc1	491162684	TUNGLZYCZYIONS-DHDOUQCBSA-N	306.337	1.371	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](c2ccccc2)C[C@H]1C	734486320	FOIJSLPCUOJBHF-IPYPFGDCSA-N	303.406	1.810	50	20	DDGD	
O=C(NCc1cccc2cc[nH]c12)NNC(=O)[C@H]1CCCCO1	838565787	KDRZUWURAACPDK-CYBMUJFWSA-N	316.361	1.567	50	20	DDGD	
CNC(=O)C1(C(=O)NNC(=S)Nc2cccc(C)c2C)CC1	730031688	DFDASQGUUOTBCK-UHFFFAOYSA-N	320.418	1.147	50	20	DDGD	
COCCN(C)NC(=O)C1(Cc2ccccc2)CCOCC1	837627726	ZYSHKOBYNMXCCC-UHFFFAOYSA-N	306.406	1.635	50	20	DDGD	
O=C(O)CCCN1CCC(=NNC(=O)c2ccncc2)CC1	739672569	SHDAWBWHWBZDEV-UHFFFAOYSA-N	304.350	1.128	50	20	DDGD	
C[C@@H](NCc1ccc(B(O)O)cc1F)[C@@H](C)Oc1ccccc1	585025124	MJZZLQULCRHANP-CHWSQXEVSA-N	317.169	1.451	50	20	DDGD	
COC(=O)C(C)(C)CCNC(=O)[C@@]1(C)C[C@@H]1Br	908125467	RJYUFYGSEJEGGK-UFBFGSQYSA-N	306.200	1.865	50	20	DDGD	
COCCCOCCC(=O)NNc1cnc2ccccc2n1	832213748	VRCPFFRTEQUAPZ-UHFFFAOYSA-N	304.350	1.516	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCn2c(cnc2C(F)(F)F)C1	834319645	KTRDUCYMGPDJMI-CMDGGOBGSA-N	314.267	1.688	50	20	DDGD	
C[C@H]1CC=C(C(=O)NNc2nccc(N3CCOCC3)n2)CC1	839704207	PMXQMGMKVXPSNM-LBPRGKRZSA-N	317.393	1.503	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)C1CCC1)NC(=O)C1CCCCC1	732144940	KVMZYBANMKNBFI-LLVKDONJSA-N	309.410	1.409	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCCCO2)ccc1[N+](=O)[O-]	834986373	PWWGTILLKIPEAW-LBPRGKRZSA-N	307.306	1.623	50	20	DDGD	
CC(C)=CCC[C@H](C)NC(=O)NNC(=O)N=c1cc[nH]cc1	836563839	IZKBXXXEMDJIKH-LBPRGKRZSA-N	305.382	1.974	50	20	DDGD	
CN1C(=O)CC[C@@H]1CC(=O)NNc1cc(C#N)cc(Cl)n1	831544123	RADVZEPWEGEXSY-SECBINFHSA-N	307.741	1.061	50	20	DDGD	
CO[C@H]1C[C@@H](NC(=O)NNc2ccc(Cl)nn2)C12CCC2	838767447	OCMHCSADUQWXBB-BDAKNGLRSA-N	311.773	1.714	50	20	DDGD	
CCCCOCCCNC(=O)NNC(=O)[C@H]1CCCCO1	836230052	KMLLXCBMRQBZTR-GFCCVEGCSA-N	301.387	1.093	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H]1CCCc2nn[nH]c21	831711424	FZOAOVMQQZIMHF-JTQLQIEISA-N	315.333	1.155	50	20	DDGD	
COc1ccc(Cl)cc1NCC(=O)NNc1cnccn1	734244492	KKCKTWPBHYQUCL-UHFFFAOYSA-N	307.741	1.694	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)c1ccccc1)C(F)(F)F	733338383	BNDVJDWXVZQKTR-SECBINFHSA-N	305.256	1.208	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@H](O)c1cccnc1)c1ccccc1	732289688	BKWHEQDZTBOVKV-AWEZNQCLSA-N	313.357	1.240	50	20	DDGD	
Cc1nc(-c2ccccc2)ncc1C(=O)N1CC[C@H](B(O)O)C1	585063967	ALMBFOXZKHBESA-ZDUSSCGKSA-N	311.150	1.141	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1	731201125	IHQBDFNXCWNGSW-UHFFFAOYSA-N	316.317	1.662	50	20	DDGD	
Cc1nc2ccc(NC(=O)NNC(=O)[C@H]3CCO[C@H]3C)cc2o1	831184335	NTXPISSKTLVYFA-KWQFWETISA-N	318.333	1.714	50	20	DDGD	
Cc1nn(C)c(C)c1[C@H](C)C(=O)NNc1ccc(Cl)nn1	735688255	IFLAKTCUVGJYRX-ZETCQYMHSA-N	308.773	1.727	50	20	DDGD	
CC(C)n1ccc(C(=O)NNC(=O)c2cc(Cl)ccc2O)n1	733358530	YIQVEWXQZGZXTO-UHFFFAOYSA-N	322.752	1.898	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(OCc2ccccc2)nc1	910166031	QOCUAEREHNQJEF-CYBMUJFWSA-N	315.373	1.618	50	20	DDGD	
COCCN(C)NC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-]	837626229	GMYVGVHVXQVUTH-UHFFFAOYSA-N	301.730	1.780	50	20	DDGD	
C[C@H]1CC(=NNC(=O)Cc2nc3ccccc3n2C)c2nccn21	834926191	JPGHNSUZOIQTIN-NSHDSACASA-N	322.372	1.798	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)Cc1cccnc1)C1CCCC1	836278322	GPTAAEGOXFPMDO-AWEZNQCLSA-N	304.394	1.923	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)c(F)c1	837693558	RUJURQNVDVBRJJ-GDPRMGEGSA-N	320.320	1.671	50	20	DDGD	
Cc1ccnc(OC2CCN(S(=O)(=O)CCl)CC2)c1	831076113	YIPTUGADZKQKDP-UHFFFAOYSA-N	304.799	1.759	50	20	DDGD	
Cc1ccc(-c2cnc(CCC(=O)NN(C)C[C@H](C)O)o2)cc1	910175794	URQXOAIIAHPJKV-ZDUSSCGKSA-N	317.389	1.926	50	20	DDGD	
O=C(COc1ccccc1F)NN=Cc1ccc([N+](=O)[O-])o1	916300741	WNCNETGZLOCRRP-UHFFFAOYSA-N	307.237	1.856	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2C[C@H](C)S[C@H](C)C2)cc1	744413497	ORTPJAVGXIDKDH-BETUJISGSA-N	321.446	1.582	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CC2OCCCO2)ccc1F	837035917	IATODDXCKFWPMZ-UHFFFAOYSA-N	312.297	1.209	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(F)c(Cl)c1	843651816	FXGWXVSPPLDJRZ-CBAPKCEASA-N	300.717	1.665	50	20	DDGD	
O=C(COc1ccc(F)cc1)NN=Cc1cccc(O)c1O	916331526	PGAOVZNUULCREN-UHFFFAOYSA-N	304.277	1.766	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1C[C@H](C)S[C@H](C)C1	743598929	OZRIBZIFMNLSKA-PHIMTYICSA-N	323.418	1.875	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@H]1CCN(c2ccc(F)cc2)C1=O	840726844	BDZDPRWNAQVNHU-BMSUMIBZSA-N	317.320	1.491	50	20	DDGD	
O=C(O)Nc1cccc(C(=O)NNC(=O)CC(F)(F)F)c1	740032639	DKWSCMAKTZGEQO-UHFFFAOYSA-N	305.212	1.490	50	20	DDGD	
Cn1c(NNC(=O)c2cc3n(n2)CCCC3)nc2ccccc21	848380637	MFKLDUMVRUJHSI-UHFFFAOYSA-N	310.361	1.863	50	20	DDGD	
CC(=NNC(=O)c1sc(N)nc1C)c1cc2n(n1)CCC2	841619663	OSYZMYQWEZCNEA-UHFFFAOYSA-N	304.379	1.330	50	20	DDGD	
NCC[C@@H](NC(=O)NNC(=O)c1ccccc1F)C(F)(F)F	841331939	BMKIULICVYSWIN-SECBINFHSA-N	322.262	1.049	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(F)c(Br)c1	910164013	QJSQYIFOUHBJRJ-ZETCQYMHSA-N	305.147	1.546	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=C1CC(C(=O)O)(c2ccccc2)C1	842549077	GPGDZNQPHBEVJN-NBNXLVQJSA-N	316.357	1.700	50	20	DDGD	
COc1ccc2c(c1F)NC(=O)C2=NNC(=O)[C@H]1CCO[C@H]1C	842549100	GYJSAOXBDLSVQJ-YUMQZZPRSA-N	321.308	1.032	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2cccc3c2CCNC3)n1	841308074	MCPKJGPTXXDWKN-UHFFFAOYSA-N	312.377	1.888	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1ccc([N+](=O)[O-])cc1	915878975	CUCUFHWTMSHXTL-UHFFFAOYSA-N	301.262	1.456	50	20	DDGD	
C[C@@H](CN)CNC(=O)NNc1cccc(Br)n1	841963980	YTDWSXPONBPMBQ-ZETCQYMHSA-N	302.176	1.065	50	20	DDGD	
CCN(CC)CCC(=O)NNC(=S)NCc1cccs1	916127029	WCKJTQXLYCCERO-UHFFFAOYSA-N	314.480	1.475	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1	746096079	ORCDVBQSCFTURW-LBPRGKRZSA-N	324.425	1.154	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21)c1ncccn1	841353158	SQLMVOBHQHMHIX-YNEHKIRRSA-N	302.378	1.844	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2ncccn2)CCc2ccccc2C1	841349903	BGUGZMUZYANOJS-KRWDZBQOSA-N	310.357	1.433	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@@H](C)CCCN)c1ccccc1	841999886	QZVXWFVMPRCPIJ-JSGCOSHPSA-N	306.410	1.638	50	20	DDGD	
C[C@H]1OC(=O)N[C@@H]1C(=O)NNc1ccccc1Br	841410045	ZZIMYUKGCMWZST-MUWHJKNJSA-N	314.139	1.389	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H]1CCc2ccccc2NC1=O	847395945	ANDQLTWVYKQFSN-ZDUSSCGKSA-N	318.377	1.316	50	20	DDGD	
C[C@H](Cc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843648639	RKGHJXNCDOVZLC-GYSYKLTISA-N	308.353	1.577	50	20	DDGD	
O=C(NN=CCCc1ccc2c(c1)OCCO2)c1ncccn1	841663895	AZGNLNBZMGMNBE-UHFFFAOYSA-N	312.329	1.596	50	20	DDGD	
CO[C@H](CC(=O)NNC(=O)Cc1ccc(F)cc1)C(F)(F)F	845088157	JFIDOLWZKSNLSQ-SNVBAGLBSA-N	322.258	1.483	50	20	DDGD	
C[C@H](CCO)SCC(=O)NNC(=O)c1ccc(Cl)cc1	741732595	KMCZBIKZVJFTRQ-SECBINFHSA-N	316.810	1.605	50	20	DDGD	
O=C(NNC(=O)c1cnc(NC2CC2)s1)c1ccccc1	748014884	WDJJBNYLFZMJBS-UHFFFAOYSA-N	302.359	1.792	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)[C@@H]1CCO[C@H]1c1ccncc1	846635642	QXSDPLYMHLZZMV-MFKMUULPSA-N	319.752	1.746	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)C2CCCC2)cc1F	757695243	GPKMPIFXPKCIQQ-UHFFFAOYSA-N	323.324	1.955	50	20	DDGD	
O=C(CCCNC(=O)c1ccc(F)cc1)NNc1ccncn1	857520954	UYNIPDPBWFJTSB-UHFFFAOYSA-N	317.324	1.269	50	20	DDGD	
Cc1cc(C)n(CCC(=O)NNC(=O)OCC(F)(F)F)n1	856025767	YXHDIJVXTONBJC-UHFFFAOYSA-N	308.260	1.210	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NNC(=O)C2CCCC2)c1	858392925	KWNAUUYWUCMAPE-UHFFFAOYSA-N	310.379	1.222	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C	854919774	FGBJELXGOKDHNL-BDAKNGLRSA-N	318.443	1.003	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc2c(c1)C[C@@H](C)O2	854952022	GLKFIZWGNDYRJA-SECBINFHSA-N	300.318	1.566	50	20	DDGD	
Cc1nn(C)c(C)c1[C@H](C)C(=O)NNc1ncc(Cl)cn1	857356631	RVPBTJFUMQAINP-ZETCQYMHSA-N	308.773	1.727	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=Cc2cc[nH]n2)cc1	755563010	KVOWCJIYIMGFHP-NSHDSACASA-N	302.334	1.726	50	20	DDGD	
COCCN(C)NC(=O)c1ccn2cc(C(F)(F)F)nc2c1	854413137	NHRKLQUWEGIFBZ-UHFFFAOYSA-N	316.283	1.576	50	20	DDGD	
CC[C@](C)(O)C(=O)NNC(=S)Nc1cccc(Cl)c1	929261414	JTZAXDYEDVAYAN-LBPRGKRZSA-N	301.799	1.819	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NN=Cc1cc2c(cc1O)OCO2	920367087	GBJUDWYPEWYKCI-UHFFFAOYSA-N	316.288	1.953	50	20	DDGD	
CCONC(=O)CNC(=O)NNc1cc(F)cc(Cl)c1	854216022	RQRNKEIRJTWSTI-UHFFFAOYSA-N	304.709	1.173	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	753131558	VIKMHBZLBGFZRO-LBPRGKRZSA-N	321.377	1.495	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccc2c(c1)OCCO2)C1CCC1	756108911	NWUKLZUNXFRPHW-SNVBAGLBSA-N	319.361	1.590	50	20	DDGD	
C[C@]1(CN2C(=O)[C@H]3CSCN3C2=O)C[C@H]1Br	925006337	WDJUVXRBMVIDMF-BRDIYROLSA-N	305.197	1.497	50	20	DDGD	
CC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)c1cn[nH]c1	858185708	XMRZOGKTRNUFAA-ZDUSSCGKSA-N	301.350	1.375	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@@H]2C[C@H](C)O[C@@H]2C)c1	858540623	KEWQSLOZWZIWRE-AXFHLTTASA-N	311.407	1.814	50	20	DDGD	
C[C@H]1Cc2cc(C(=O)NNC(=O)OCC(F)(F)F)ccc2O1	856026878	PUEWDAFCZPLTAF-ZETCQYMHSA-N	318.251	1.943	50	20	DDGD	
C#CCOc1ccc(C=NNC(=O)CCN(CC)CC)cc1	920988114	WJAOETRRFBOLDR-UHFFFAOYSA-N	301.390	1.881	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(c2ccsc2C#N)CC1	855336079	IOZGJXDCLIMUBA-VAWYXSNFSA-N	316.386	1.712	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2nc[nH]c2C(F)(F)F)n1	857541143	KBWIZZRMTMTNNT-UHFFFAOYSA-N	320.662	1.937	50	20	DDGD	
Cc1nnsc1CNC(=O)NC[C@@]1(C)C[C@@H]1Br	856859368	OACCQQMSIDJLJP-WCBMZHEXSA-N	319.228	1.819	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCc2c(O)cccc2C1	859946868	QFHBNBLDUBQWSY-LBPRGKRZSA-N	319.405	1.332	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)N[C@@H]1CCOC2(CCC2)C1	852709430	UYSAEAOPIWUXNF-SNVBAGLBSA-N	322.340	1.266	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2c(C3CC3)cnn2C)nc1	852577266	BMBADLPIKRDRKF-UHFFFAOYSA-N	300.366	1.827	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)C12CCC(CC1)C2	751602083	DJKQOCNKUJEMCA-UHFFFAOYSA-N	304.346	1.499	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=S)NCC2CCC2)c1C	855091404	OFQNAIKWAONVEH-UHFFFAOYSA-N	309.439	1.429	50	20	DDGD	
CCN1CCC(NC(=O)NNC(=O)CCc2ccccc2)CC1	750328338	KBIHSSAZSREOHF-UHFFFAOYSA-N	318.421	1.434	50	20	DDGD	
CC(C)OC(=O)/C(C#N)=C\c1cccc(NS(C)(=O)=O)c1	853003301	IPHUNKUMLOIRHU-GHXNOFRVSA-N	308.359	1.917	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc(OC)c1C	850209752	MPPLRAMLWGCRGZ-SNVBAGLBSA-N	308.334	1.106	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1	854926031	QCELELICTFFUAT-AWEZNQCLSA-N	320.462	1.366	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C)C(F)(F)F	853372850	ALJUUZUQXXIUCF-NXEZZACHSA-N	318.299	1.942	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cnc(F)c(Cl)c1	935197074	ZVHLYZYWBKAPFS-UHFFFAOYSA-N	322.818	1.346	50	20	DDGD	
CO[C@]1(C)C[C@H](NC(=O)NNC(=O)c2cccc(F)n2)C1(C)C	852164132	QKKDKVRWTKBWOV-ZUZCIYMTSA-N	324.356	1.368	50	20	DDGD	
COc1ccc(C)cc1CC(=O)NNc1cc(Cl)nc(N)n1	753458054	VBSQTGGWYLJZPI-UHFFFAOYSA-N	321.768	1.715	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C2(OC)CCCCCC2)n1	933986911	NYNPDLVQDMQQOS-UHFFFAOYSA-N	308.382	1.976	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CCc2cn[nH]c2)n1	863897137	VGOJCENRMSXCEK-UHFFFAOYSA-N	303.370	1.122	50	20	DDGD	
N[C@H]1C[C@H](CNS(=O)(=O)c2ccc(CCCCl)cc2)C1	866808510	RNHVVWYYKQGSRX-JOCQHMNTSA-N	316.854	1.874	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@@H]1CCC[C@@H]2OCC[C@H]21	760904191	YNCIINQUXQZLJU-YUTCNCBUSA-N	321.352	1.727	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CCC(=O)N1)c1ccc2c(c1)CCCO2	863147529	ICULCFHOGCUPEU-CQSZACIVSA-N	315.373	1.521	50	20	DDGD	
COC(=O)CSCCC(=O)NNC(=O)c1cc(C)cs1	862477190	IKHDPZPGNSZPRX-UHFFFAOYSA-N	316.404	1.114	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)C1(F)CCOCC1	866954170	SERYSKXFHFTIJX-UHFFFAOYSA-N	308.235	1.457	50	20	DDGD	
CCc1c(C(=O)NNC(=O)C(C)(C)O)cnn1C1CCCC1	768258843	CSIODYZZGYPFDV-UHFFFAOYSA-N	308.382	1.093	50	20	DDGD	
CC[C@@H](CC1CCCCC1)C(=O)NNC(=O)[C@H]1CCC(=O)N1	862455839	RNJZELJZWXEIKY-QWHCGFSZSA-N	309.410	1.409	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)[C@@H]1CCSC1	762179446	QKTVAVFDXDJOTJ-GFCCVEGCSA-N	303.387	1.542	50	20	DDGD	
COc1cc(C2(C(=O)NNC(=O)C(C)(C)O)CCC2)ccc1C	768259266	ILGGELWEFOIXAF-UHFFFAOYSA-N	320.389	1.344	50	20	DDGD	
Cc1n[nH]cc1CNC(=O)NNc1ncnc2ccsc12	768240527	XPNFRVPDDUFKCE-UHFFFAOYSA-N	303.351	1.549	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc2cc(O)ccc12	869068165	NKAUWAKPUVHQKI-GWCFXTLKSA-N	314.341	1.731	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H]2CCN(Cc3ccccc3)C2)cc[nH]1	862514260	WBFIJVKAHRJEDH-INIZCTEOSA-N	310.401	1.777	50	20	DDGD	
CCC(=NNC(=O)CNC(=O)c1cccnc1)c1ccccc1	763194810	GGIVJOBHDSGIIN-UHFFFAOYSA-N	310.357	1.742	50	20	DDGD	
Cn1ccnc1[C@@H]1CCCN(C(=O)NNC(=O)C2CCCC2)C1	767872919	BHUXXQPKKOHNNN-CYBMUJFWSA-N	319.409	1.531	50	20	DDGD	
CC(=O)N/C(=C\c1ccccc1)C(=O)NN[C@@H](C)C(F)(F)F	862305501	OWUDFOSDCWDKQK-RILYUOAZSA-N	315.295	1.735	50	20	DDGD	
CCO[C@@H](CC(=O)NNC(=O)c1ccc(Cl)nc1)C(C)C	760376904	DFILKQIYROTEKE-NSHDSACASA-N	313.785	1.947	50	20	DDGD	
O=C(NNC(=O)C1CSC1)Nc1ccc(OC(F)F)cc1	868118204	HTYBLPMFRBQXMH-UHFFFAOYSA-N	317.317	1.804	50	20	DDGD	
Cc1cc(=NNC(=O)C2(NC(=O)OC(C)(C)C)CC2)cc[nH]1	862512687	FOXRSVYULIILRA-UHFFFAOYSA-N	306.366	1.312	50	20	DDGD	
Cc1noc([C@@H](C)N(C)S(=O)(=O)CC(C)(C)CCl)n1	867487120	BPFCBOIBYFXCHJ-MRVPVSSYSA-N	309.819	1.966	50	20	DDGD	
CSc1ccc(/C=C\C(=O)NNC(=O)C(C)(C)O)s1	861205414	CBWCRSISCHGNFO-XQRVVYSFSA-N	300.405	1.402	50	20	DDGD	
C[C@@H](NNC(=O)CCCNC(=O)c1cccnc1)C(F)(F)F	862314714	HQGHKYHDLSGBMP-SECBINFHSA-N	318.299	1.163	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)c1cnn(-c2ccccc2)c1)C(C)C	769938132	USWVBBAEBLRKMQ-CQSZACIVSA-N	316.361	1.304	50	20	DDGD	
Cn1cnnc1CCNC(=O)[C@@H](Br)C(C)(C)C	767957322	KAFDLTJOEWCRCX-SECBINFHSA-N	303.204	1.283	50	20	DDGD	
C[C@@]1(CNC(=O)NCc2cc(N)ccn2)C[C@@H]1Br	1119419315	QCQAKLQRZGRUKO-JQWIXIFHSA-N	313.199	1.637	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@H]2CCO[C@H](C)C2)cn1	776345459	SPLANQYSQNQBEC-ZJUUUORDSA-N	324.406	1.223	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)OC[C@H](C)CBr)C1	770405245	ZEXDBPBKSGILPT-ZJUUUORDSA-N	306.200	1.819	50	20	DDGD	
CNC(=O)[C@H]1CCC[C@H]1NC(=O)NNc1cc(Cl)ccn1	778719765	UHSOWRQOOWBZJA-VHSXEESVSA-N	311.773	1.276	50	20	DDGD	
COc1ccc(CNC(=O)NNc2cccc([N+](=O)[O-])c2)nc1	775089390	LSKXQWJILMZCOL-UHFFFAOYSA-N	317.305	1.825	50	20	DDGD	
CC1(C)C[C@@]1(C(=O)O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1118809326	HPGJSUWQMDMDDI-BPTDKIDVSA-N	304.184	1.777	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](C)CC(=O)OC(C)(C)C)nn1	1116014542	BQQFOMNJMJEPRV-SNVBAGLBSA-N	309.370	1.531	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(F)cc1Cl	771875013	LAQPJTNPDHSFPI-ZETCQYMHSA-N	316.716	1.582	50	20	DDGD	
C[C@H](O)c1ncc(C=NNC(=O)CCN2CCCCCC2)s1	773025057	MTQQRAYYQVUVCM-LBPRGKRZSA-N	324.450	1.913	50	20	DDGD	
COC(=O)[C@@H](C)n1cccc1C=NNC(=O)c1ccc(N)cc1	774576442	WMDMSHYJXFHJBA-LLVKDONJSA-N	314.345	1.568	50	20	DDGD	
CNC(=O)c1ccc(C(=O)NNc2cnc3ccccc3n2)cn1	774774155	CZHQYFIDUMJFBD-UHFFFAOYSA-N	322.328	1.141	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)NNC(=O)c1cnn(C)c1)C(F)(F)F	772525778	PIXNZKCADHQZOB-CBAPKCEASA-N	321.303	1.341	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2cc1O)Nc1ccncn1	770768992	RGSZTJDZWFXADC-UHFFFAOYSA-N	323.312	1.802	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cc(Cl)nc(C2CC2)c1	883071493	BUMATDOTECLAOU-UHFFFAOYSA-N	323.780	1.800	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC[C@H]1C1OCCO1	888439444	OSMXVKBPBBVEKO-WVUXNXBLSA-N	314.341	1.663	50	20	DDGD	
O=C(NN=C1CCN(CCC(F)(F)F)CC1)c1cnccn1	779767891	IFLPMMQVOIYRKG-UHFFFAOYSA-N	315.299	1.611	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CCOCC(F)(F)F	777827437	CUYWCOBVLBMYIX-UHFFFAOYSA-N	320.267	1.885	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCCn1cnc2ccccc21	887142151	XTHLIOPKWYEVOS-UHFFFAOYSA-N	312.373	1.767	50	20	DDGD	
Cn1ccnc1CCC(=O)NNc1cc(C(F)(F)F)ccn1	1123893184	JRKIWWQAKBEGHN-UHFFFAOYSA-N	313.283	1.910	50	20	DDGD	
C[C@H](Cc1ccc(O)cc1)NC(=O)NNC(=O)C1CCOCC1	883187234	JQCGJDLLCNXRFM-LLVKDONJSA-N	321.377	1.080	50	20	DDGD	
C[C@@H](CCc1ccccc1F)C(=O)NNC(=O)c1cccnn1	882057729	IMTOBVBGDFIOMR-NSHDSACASA-N	316.336	1.646	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1cccc(Cl)n1	788180787	GMVQKKHTARJDKD-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
CC(C)OCCCCNC(=O)NNC(=O)c1cccc(C#N)c1	783000839	AYGKVSYSYRYKNZ-UHFFFAOYSA-N	318.377	1.707	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)c2cscn2)c1	788252764	BDMIOMDGQRUEMJ-UHFFFAOYSA-N	305.363	1.994	50	20	DDGD	
Cc1cccc(F)c1NC(=O)C(=O)NNc1ncc(F)cn1	784950712	YMJJEZMSFGQIPC-UHFFFAOYSA-N	307.260	1.145	50	20	DDGD	
O=C(NNc1cccnn1)N[C@@H]1COc2c(F)cc(F)cc2C1	1123741958	FKWCNJFPXOLSPS-JTQLQIEISA-N	321.287	1.385	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Nc2cccn(C)c2=O)c1	780582007	XXRWATJYKQXFPC-UHFFFAOYSA-N	316.317	1.321	50	20	DDGD	
N#CC1=CCN(C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1	780686500	AUEVTWLVKJSCIS-KBPBESRZSA-N	315.373	1.234	50	20	DDGD	
C[C@@H](OC(=O)/C(C#N)=C/c1ccccc1)C(=O)N(C)CCC#N	785343435	FVQPGWIBGVWWFD-WDGDVPDHSA-N	311.341	1.897	50	20	DDGD	
CN(C)c1cc(C(=O)NN=C2CCC[C@@H](N(C)C)C2)ccn1	788428792	BLALEDQMJKFASU-CQSZACIVSA-N	303.410	1.738	50	20	DDGD	
CCNC(=O)CC(=O)NNC(=S)Nc1cccc(C)c1C	789902716	WPRMUHWPIIZMIE-UHFFFAOYSA-N	308.407	1.147	50	20	DDGD	
CCC(CC)N1C[C@@H](C(=O)NNc2ccc(C#N)cn2)CC1=O	899664487	XQJQWRXLQOGZPW-LBPRGKRZSA-N	315.377	1.433	50	20	DDGD	
O=S(=O)(CCCCCl)NCc1nc(C(F)(F)F)no1	780839246	FURQYXIAVZLPNQ-UHFFFAOYSA-N	321.708	1.527	50	20	DDGD	
C[C@@H]1CCc2[nH]nc(C(=O)NNC(=O)c3cccc(F)n3)c2C1	898991245	UHCOBENOWPPQNX-MRVPVSSYSA-N	317.324	1.143	50	20	DDGD	
C[C@@H]1CN(CCC(=O)NNC(=O)CCC2(C)CC2)C[C@@H](C)O1	891767786	LNHLAJRAOJVVCV-CHWSQXEVSA-N	311.426	1.213	50	20	DDGD	
COc1cccc(NNC(=O)Nc2cc(C(N)=O)ccc2C)n1	780534613	MPGMCHSWVZEZGC-UHFFFAOYSA-N	315.333	1.646	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCCCc1ccccc1	892229689	VSKIZZBWPULOOW-ZFWWWQNUSA-N	304.390	1.972	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1c[nH]nc1-c1ccoc1	790556717	JOHMOSUQCXSSRU-UHFFFAOYSA-N	302.212	1.383	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)Nc1cnns1	794311792	CTWUZTLOLXUDFJ-UHFFFAOYSA-N	302.319	1.528	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCc1nnnn1C1CC1	799597226	OQKCMEUPCYFGBO-UHFFFAOYSA-N	315.381	1.705	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cc(O)ccc1C(F)(F)F	793259001	RHQYAHHYDHTPHK-UHFFFAOYSA-N	305.256	1.763	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)NOCC(F)F	793174273	CDZDGVRHAOMWEK-UHFFFAOYSA-N	323.683	1.489	50	20	DDGD	
C[C@H]1CCC[C@@H]1CNC(=O)NNC(=O)c1ccc(C#N)cc1	798513998	ZRBWMGZTQACYIS-SMDDNHRTSA-N	300.362	1.938	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cnn(-c3ccccc3)n2)n1	794080119	HZJSVFPCZYNHKA-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
C=C[C@@H](NNC(=O)c1ccc(Cl)cc1Cl)C(=O)OC	799976648	ULWYLDMMDRAVBU-SNVBAGLBSA-N	303.145	1.955	50	20	DDGD	
Cc1coc(C)c1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	792758814	YITYCERRNHCQEQ-NSHDSACASA-N	310.350	1.635	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1cc(C(=O)CC)ccc1Cl	794579144	QSNKYUSUPJODJJ-UHFFFAOYSA-N	318.782	1.652	50	20	DDGD	
O=C(NNC(=O)c1cccc(O)c1O)c1ccc(Cl)nc1	790538775	KPIMFCPGFSQYCF-UHFFFAOYSA-N	307.693	1.221	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)c2cccc(C)n2)c1	794750773	DURXSBPTQCTXHP-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cncn2-c2ccccc2)on1	1317730422	GSJFLKIQWXAKFL-UHFFFAOYSA-N	311.301	1.244	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)CC(C3CC3)C3CC3)nc21	1319292537	OVCDJKGYIDNJJG-UHFFFAOYSA-N	316.365	1.338	50	20	DDGD	
COC(=O)C(=O)NN=C1CCC(NC(=O)OC(C)(C)C)CC1	1318903389	VLIGMUVDFGZVLO-UHFFFAOYSA-N	313.354	1.099	50	20	DDGD	
Nc1cnnc(NNC(=O)CSCc2cccnc2)c1Cl	1319800818	LFSGAQAFSCTYQW-UHFFFAOYSA-N	324.797	1.484	50	20	DDGD	
Cn1ccc(NNC(=O)[C@H](NC(=O)OC(C)(C)C)C2CCC2)n1	1325502563	ASWWHDLPORSMLZ-GFCCVEGCSA-N	323.397	1.557	50	20	DDGD	
COC(=O)c1ccc(C(=O)NC[C@]2(C)C[C@@H]2Br)o1	1329079690	KKZGPKDVKUVDIQ-CABZTGNLSA-N	316.151	1.970	50	20	DDGD	
Nc1cnnc(NNC(=O)NCC23CCC(CC2)C3)c1Cl	1320212655	POHNLHAQXCIROR-UHFFFAOYSA-N	310.789	1.919	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2nccc(Cl)c2F)c1	1320797934	NTKOMLGSUQDCFC-UHFFFAOYSA-N	318.695	1.821	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccn(-c3ccncc3)n2)o1	1320821820	XAHVGHDMGONLOJ-UHFFFAOYSA-N	311.301	1.244	50	20	DDGD	
CN(NC(=O)c1ccn(-c2ccncc2)n1)C(=O)OC(C)(C)C	1324725355	FBRQPDOGCGSBSS-UHFFFAOYSA-N	317.349	1.779	50	20	DDGD	
Cc1ccc(F)c(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)c1	1321449365	IGRZPKKLQCLSJY-UHFFFAOYSA-N	316.336	1.811	50	20	DDGD	
Cc1ncnc(O)c1CCC(=O)NNC(=O)CC1CCCC1	1338156335	DOAOCZCSWFCWIV-UHFFFAOYSA-N	306.366	1.151	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H](C)[C@@H]2CCC(=O)N2)c1	1332406568	CZXDUIZFPFADPW-PWSUYJOCSA-N	320.418	1.227	50	20	DDGD	
O=C(c1cccc(CCl)c1)N1CCN([C@@H]2CCOC2)CC1	1335931671	XRBRWJHCQCLHKE-OAHLLOKOSA-N	308.809	1.972	50	20	DDGD	
C[C@@H](O)C(=O)N1CCN(C(=O)c2cccc(CCl)c2)CC1	1336422017	YSQKLSNGCXFJMF-LLVKDONJSA-N	310.781	1.091	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1ccc(F)cc1C	1338525232	BVUORHLEEDCVKT-UHFFFAOYSA-N	305.309	1.024	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)c2cn[nH]c2)[C@@H]1c1ccncc1	1331536489	FVOCGBRHOYZSIF-GFCCVEGCSA-N	314.349	1.242	50	20	DDGD	
Cn1nc(-c2ccco2)cc1NC(=O)NNC(=O)c1ccc[nH]1	1339240085	CCJOMOSVGPYDLZ-UHFFFAOYSA-N	314.305	1.475	50	20	DDGD	
O=C(NNC(=O)c1cc2c(cn1)OCCC2)NC1CCCC1	1342138280	IRBBBLPPLLMMED-UHFFFAOYSA-N	304.350	1.293	50	20	DDGD	
O=C(NNc1cccc(Cl)c1)C1CC2(C1)CS(=O)(=O)C2	1346255047	BUUJLUBAELAYCQ-UHFFFAOYSA-N	314.794	1.608	50	20	DDGD	
CN1CCN(CC2CN(C(=O)c3cccc(CCl)c3)C2)CC1	1353689856	POBNJJQRSUBBDF-UHFFFAOYSA-N	321.852	1.745	50	20	DDGD	
COC(=O)C[C@H]1COCCN1C(=O)C1CCC(Cl)CC1	1528419109	YVUQOMHWEBTDHG-MCIGGMRASA-N	303.786	1.575	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1ccc(CC(=O)O)cc1)C(C)C	1606496164	OOTAFRNBTMUPHG-ZDUSSCGKSA-N	323.349	1.137	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1cnn(C(C)(C)C(=O)O)c1	1600593353	WRXBTXMKXMEOCW-UHFFFAOYSA-N	318.337	1.555	50	20	DDGD	
Cc1cc(C)n(CCC(=O)NNc2ccc(CC(=O)O)cc2)n1	1600179916	WXYKEBSLABUJOS-UHFFFAOYSA-N	316.361	1.660	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNc1cccc(C(=O)O)c1C	1600668487	SOSMIKLWNKFLON-UHFFFAOYSA-N	302.334	1.719	50	20	DDGD	
Cc1ccc(NNC(=O)c2noc3c2COCC3)cc1C(=O)O	1607809101	DSAIVEUUMRSOLZ-UHFFFAOYSA-N	317.301	1.511	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCOc1ccc(C(=O)O)cc1	1605618907	QSHJHZVLNCSTLB-ZRDIBKRKSA-N	304.302	1.324	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C1(C(=O)O)CC2(CCC2)C1	1603350296	VILLHQYILACTFX-UHFFFAOYSA-N	313.423	1.315	50	20	DDGD	
O=C(NNc1cccc(F)c1)C(=O)Nc1ccc(C(=O)O)cc1	1601560763	XLGYJEVVAFCJES-UHFFFAOYSA-N	317.276	1.606	50	20	DDGD	
CN(CCNC(=O)NNc1ccc(C(=O)O)cc1F)C1CC1	1606129488	KFQHTDHFYYBWGV-UHFFFAOYSA-N	310.329	1.244	50	20	DDGD	
CCc1noc(C)c1C(C)=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549319062	SIANXZQQEADZFP-GXTWGEPZSA-N	320.393	1.249	50	20	DDGD	
COCCC(C)=NNC(=O)[C@H]1CCCO[C@@H]1c1ccnn1C	1549315581	OBFIRIFPTZPUGL-JSGCOSHPSA-N	308.382	1.416	50	20	DDGD	
CC[C@](C)(C=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccnn1C)OC	1549316471	SIJACHPYUZWCIT-IVMMDQJWSA-N	322.409	1.805	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H]1C[C@H](N)C1(C)C)c1ccccc1	1576939926	ZYPLPJGIMJTMFH-MJBXVCDLSA-N	303.406	1.701	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCNCC2CC2)c1F	1578877712	IJEDARBPPRCLSW-UHFFFAOYSA-N	309.341	1.445	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C[C@H]1CNc2ccccc21	1576904856	YKNNXIWTZXHEJM-SDDRHHMPSA-N	303.362	1.158	50	20	DDGD	
Cc1oc(C(C)(C)C)cc1C(=O)NNC(=O)NC1CCNCC1	1579927022	GKHFOMQHMQISCT-UHFFFAOYSA-N	322.409	1.582	50	20	DDGD	
CC(C)(C(=O)O)c1csc(NC(=O)NN=c2cc[nH]cc2)n1	1589655570	BTHLTEFVGCTNOI-UHFFFAOYSA-N	321.362	1.471	50	20	DDGD	
O=C(NNc1cc(O)nc2ncccc12)[C@@H]1C[C@]12CCCNC2	1580737295	NDJOJHCLUXQEID-ZBEGNZNMSA-N	313.361	1.168	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCOC2)C1	1846691943	OIQCCTMILOPALA-RYUDHWBXSA-N	314.813	1.244	50	20	DDGD	
CCC(CC)(CNC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)O	1589481701	JYSKKYRHHGZLRX-WUXMJOGZSA-N	304.350	1.334	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)CC(=O)O)cc1	1592426544	VUQOHDSITAHWSU-VSXLWIIGSA-N	302.330	1.972	50	20	DDGD	
CC(C)Cn1ccc(C(=O)NNc2ccc(C(=O)O)cn2)n1	1591523342	KOLGVWUNWDMHGT-UHFFFAOYSA-N	303.322	1.389	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNCC(F)(F)C(F)(F)F)cc1	1595220751	AEDKQNIRAHRISB-UHFFFAOYSA-N	312.194	1.817	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2ccc(C(=O)O)c(F)c2)cs1	1776028704	BDMBXFDXHKJAJU-UHFFFAOYSA-N	321.333	1.982	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC[C@](C)(C(=O)O)C1	1776293919	RCOILRMJTANZFA-LBPRGKRZSA-N	311.831	1.768	50	20	DDGD	
N[C@H]1CC[C@H](C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)C1	158052833	ZCEVRAMRFZJFQW-ONGXEEELSA-N	321.768	1.961	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2ncccc2[N+](=O)[O-])c1	153340335	LTGUHYLGKZSBCY-UHFFFAOYSA-N	315.289	1.106	50	20	DDGD	
CN(C)Cc1cccc(C(=O)NNC(=O)c2cccn2C)c1	155537412	YLXQZCBIEDGPCT-UHFFFAOYSA-N	300.362	1.162	50	20	DDGD	
CCCc1nnc(S)n1CC(=O)NNc1ccc(C#N)cc1	155649426	LGTRPRLGDJVQPB-UHFFFAOYSA-N	316.390	1.534	50	20	DDGD	
O=C(CCN1C(=O)c2ccccc2C1=O)NCC(Cl)Cl	297385948	NJYLQYJEETYRMM-UHFFFAOYSA-N	315.156	1.593	50	20	DDGD	
CC(C)(C)[C@@H](CC(=O)O)NS(=O)(=O)CBr	308897257	ZXIJTHZNKQULKR-ZCFIWIBFSA-N	302.190	1.148	50	20	DDGD	
C[C@@H](C[S@@](C)=O)N(C)S(=O)(=O)c1ccc(CCl)cc1	398959467	XXZANEHNUTYSBH-XTZNXHDOSA-N	323.867	1.813	50	20	DDGD	
Cn1cc(-c2nc(C(=O)NNC(=O)CC(C)(C)C)cs2)cn1	103197564	QLMJUABPWDCXRB-UHFFFAOYSA-N	321.406	1.741	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1n[nH]c2ccccc12	55352064	HXIRIDBAPZUNHY-UHFFFAOYSA-N	324.340	1.575	50	20	DDGD	
COCCCCC(=O)NNC(=O)c1cccc(OC(F)F)c1	103041221	KTGLKKVOBFJPGN-UHFFFAOYSA-N	316.304	1.866	50	20	DDGD	
Cc1cc(C(=O)NNc2nccnc2Cl)c(N)c([N+](=O)[O-])c1	114896839	KUOOOCKRKQIHRY-UHFFFAOYSA-N	322.712	1.686	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1cccnc1)C1CCCCC1	176394653	DVPJGLZAZUEZJX-LBPRGKRZSA-N	304.394	1.923	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCC(C)(C)c2cccs2)cn1	117967559	TYVROQOSCJFRDX-UHFFFAOYSA-N	321.406	1.403	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)c2cnn(C)c2)c(C)c1	117960365	HIXSXKJJTFLZEJ-UHFFFAOYSA-N	301.350	1.181	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)C1CC1)c1ccc(Cl)cc1	112976393	LEPDJMNSVVTJKR-CYBMUJFWSA-N	309.797	1.938	50	20	DDGD	
CCCN1C(=O)CCc2cc(NC(=O)NNC(C)=O)ccc21	119492300	SPXSLWHKYJCUJL-UHFFFAOYSA-N	304.350	1.548	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cccc(OC[C@H]2CCCO2)c1	26238678	AOCAHLLXGZPVFG-CQSZACIVSA-N	306.362	1.661	50	20	DDGD	
CCN1CCCC[C@@H]1CNC(=O)NNC(=O)OC(C)(C)C	111883382	KLBPHJDQRFJJNE-LLVKDONJSA-N	300.403	1.600	50	20	DDGD	
COCc1cccc(S(=O)(=O)NNC(=O)C(C)(C)C)c1	171335383	NOINFLUXFPRFQR-UHFFFAOYSA-N	300.380	1.189	50	20	DDGD	
C[C@H](C(=O)NNC(=O)N1CCOCC1)c1c(F)cccc1F	179400415	YWBVATRVWXFWOX-VIFPVBQESA-N	313.304	1.141	50	20	DDGD	
N#CC1(C(=O)NNC(=O)c2cccc(OC(F)F)c2)CCC1	120149658	COHAVSWMYKKEEP-UHFFFAOYSA-N	309.272	1.743	50	20	DDGD	
CCc1cccc(CC)c1NC(=O)C(=O)NNc1ncccn1	120052569	VTQSOBSUNDPKHW-UHFFFAOYSA-N	313.361	1.683	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)Nc1ccnn1C	124623243	MFEQIOXHCANEDN-UHFFFAOYSA-N	323.740	1.549	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H](C(C)C)N(C)C)c(C)c1	129841357	MQTRCUXGPXGJBK-INIZCTEOSA-N	320.437	1.449	50	20	DDGD	
O=C(NNc1ncccn1)C(=O)N1CCc2c(Cl)cccc21	120040938	CTOSPHTVUBYDGP-UHFFFAOYSA-N	317.736	1.162	50	20	DDGD	
COc1cc(F)ccc1NC(=O)NNC(=O)c1cc(C)n[nH]1	183603449	ATHWSIMYCOAOLF-UHFFFAOYSA-N	307.285	1.332	50	20	DDGD	
Cc1cc(F)ccc1-n1cc(C(=O)NNc2ccccn2)nn1	181256768	SSANFSIZTBYWJO-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
O=C(CCNC(=O)c1[nH]nc2ccccc12)NNc1ccccn1	181228016	SCRDOMNWVNKQRR-UHFFFAOYSA-N	324.344	1.221	50	20	DDGD	
COc1ccc(NNC(=O)C2(O)CCCCC2)c([N+](=O)[O-])c1	122671906	FWCKMQHXMSZEQE-UHFFFAOYSA-N	309.322	1.742	50	20	DDGD	
C[C@@H](CBr)CN1CCN(C[C@@H]2CCOC2)CC1	186364867	NSPXLWAKSHVNLN-STQMWFEESA-N	305.260	1.672	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Cc1cc2ccccc2[nH]c1=O	77220620	DVSZWPQNLWOMFZ-UHFFFAOYSA-N	301.346	1.264	50	20	DDGD	
COc1ccc(F)cc1CC(=O)NNC(=O)c1ccncc1	185478501	LZWNJORFANFXTF-UHFFFAOYSA-N	303.293	1.233	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)N[C@@H]1CCO[C@@H](C2CC2)C1	189997827	ZXCPFBCMKUSNNP-VXGBXAGGSA-N	316.365	1.313	50	20	DDGD	
CCCn1cc(NC(=O)C(=O)NNc2ccc(C)cc2)cn1	131554401	FQNBAHZCYRRQML-UHFFFAOYSA-N	301.350	1.683	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NC[C@](C)(O)C(C)C)cc(C#N)n1C	75253008	BRRFMSJGECPHCE-ZRBJYGNNSA-N	314.389	1.635	50	20	DDGD	
Cc1noc(C2CC2)c1NC(=O)NNC(=O)c1cccn1C	130005210	ACZASKRGLXOUTC-UHFFFAOYSA-N	303.322	1.665	50	20	DDGD	
Cc1ncccc1NC(=O)C(=O)NNc1cc(F)c(F)cc1F	190489077	KGDWYCRXWHDIAI-UHFFFAOYSA-N	324.262	1.889	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1cc(F)ccc1O	80026832	VFMGXMIDMJRLPU-UHFFFAOYSA-N	306.268	1.674	50	20	DDGD	
C[C@H]1CN(CCCNC(=O)NNc2ccccn2)C[C@H](C)O1	193114348	HHEIXSRNTALSMO-STQMWFEESA-N	307.398	1.207	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2ccc(C)cc2)n(C)n1	131550706	NJYARSHLASQNKM-UHFFFAOYSA-N	301.350	1.373	50	20	DDGD	
Cc1cc(/C=C(\C#N)C(=O)NCC#N)c(C)n1C[C@H]1CCCO1	195453820	XRVDRPTVWSIZIM-HTRKUNOGSA-N	312.373	1.831	50	20	DDGD	
CC(C)c1ccc(CCC(=O)NNC(=O)N2CCOCC2)cc1	194896174	KCPJVCNJSKZZCR-UHFFFAOYSA-N	319.405	1.816	50	20	DDGD	
CC(=O)N1CC[C@H](CN(C)CCI)C1	191007711	CCYUWEOKFAXQES-SNVBAGLBSA-N	310.179	1.222	50	20	DDGD	
CCOC(=O)[C@@H](C)CNC(=O)/C(C#N)=C\c1ccc(O)cc1	194728541	ZQICZPYVLUNHIH-LFTLCWSBSA-N	302.330	1.615	50	20	DDGD	
C[C@H]1[C@H](C)CCC[C@H]1NCC(=O)NNC(=O)c1ccccc1	249523776	QJPRGEPHDZPLEE-VNHYZAJKSA-N	303.406	1.862	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2ccc(O)cc2)cc1	254762673	IDLRGYNRWMGOCY-UHFFFAOYSA-N	300.314	1.930	50	20	DDGD	
CCOC(=O)NN=C(C)c1ccc(S(C)(=O)=O)c(OC)c1	254463888	TWZBTUSSBCADNW-UHFFFAOYSA-N	314.363	1.569	50	20	DDGD	
CNC(=O)CCCNC(=O)NNc1ccc(OC(F)F)cc1	263723555	BKSACIQEPTXESF-UHFFFAOYSA-N	316.308	1.440	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H](C)[C@H]2CCOC2)cc1	266612313	UHAJPWYEBHSMMU-RISCZKNCSA-N	305.378	1.618	50	20	DDGD	
COc1ccc(O[C@H](C)CNC(=O)NNc2ncccn2)cc1	266830164	UCADGCNDEWYPTE-LLVKDONJSA-N	317.349	1.579	50	20	DDGD	
C[C@@H]1CCC[C@H]1NC(=O)NNC(=O)COc1ccccc1O	264633766	UPQRVSXNYMVMSN-GHMZBOCLSA-N	307.350	1.290	50	20	DDGD	
CCCCS[C@@H](C)C(=O)NNc1nc(O)c2cnn(C)c2n1	269303905	KSCSQSDWPLJAFV-QMMMGPOBSA-N	324.410	1.434	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NNC(=O)[C@H]1CCCCO1	269434405	HWLRXHYEUZPQLV-CQSZACIVSA-N	316.361	1.061	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1	367749071	JTMUPPBDTLHVDB-NSHDSACASA-N	320.324	1.253	50	20	DDGD	
O=S(=O)(CBr)N[C@H]1[C@@H]2c3ccccc3CC[C@H]21	272774566	GCSGUFQHDLGBQC-IJLUTSLNSA-N	316.220	1.987	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)COCC1CC1	270642690	JSUVTNYTCZVWNB-UHFFFAOYSA-N	324.402	1.361	50	20	DDGD	
CC(C)[C@@H]1C[C@H](NC(=O)NNC(=O)Cc2ccncc2)CCO1	271585035	VZBKVZKFZTZGSH-KGLIPLIRSA-N	320.393	1.158	50	20	DDGD	
CCCC[C@H](NNC(=O)COc1ccccc1C#N)C(=O)OC	270579540	PRPSKJIKWWXRGE-ZDUSSCGKSA-N	319.361	1.290	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(C)c(OCC)c1	276243566	QOVKTVBSXJZCJH-UHFFFAOYSA-N	322.365	1.025	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1nnc(CC(C)C)s1	274121041	SQDXRULXUZUJMO-UHFFFAOYSA-N	323.382	1.684	50	20	DDGD	
CCCNC(=O)c1ccc(NC(=O)NNC(=O)C2CC2)cc1	274129852	VFZJYNDKDZAMEA-UHFFFAOYSA-N	304.350	1.389	50	20	DDGD	
COC[C@H](NC(=O)NNc1cccc([N+](=O)[O-])c1)[C@H]1CCCO1	279766747	SEYKMZJNPCVJGJ-QWHCGFSZSA-N	324.337	1.415	50	20	DDGD	
CCc1c(C(=O)NNC(=O)NC)cnn1-c1ccc(OC)cc1	274798179	JONUSVVRSBUUEN-UHFFFAOYSA-N	317.349	1.017	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc1	377720241	LEJADSPZRAQMCN-DUVNUKRYSA-N	317.389	1.369	50	20	DDGD	
Cc1ncc2n1CC[C@@H](C(=O)NNC(=O)CC1CCCC1)C2	289784108	LLGJNWKFMWKBQH-CYBMUJFWSA-N	304.394	1.482	50	20	DDGD	
CC(=O)NCCCCCC(=O)NNc1nccnc1C1CCC1	287325955	XMGMOSRXVBGKCL-UHFFFAOYSA-N	319.409	1.884	50	20	DDGD	
O=C(CN1C(=O)COc2ccccc21)NCC(Cl)Cl	288369465	YJLLJQGDKRBXBR-UHFFFAOYSA-N	303.145	1.332	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@H](OC)C1CC1	280774747	JTTKJNKUIHHRRC-GFCCVEGCSA-N	312.753	1.535	50	20	DDGD	
Cc1noc(C)c1C(C)(C)C(=O)NNc1cc(Cl)nc(N)n1	280820593	NXPQZWDDMCACOC-UHFFFAOYSA-N	324.772	1.738	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cc(C)n(C)c2C)cc1	298263461	AJJYTWCUBPUUGT-UHFFFAOYSA-N	314.389	1.823	50	20	DDGD	
Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NNC(=O)[C@@H](C)O	294265810	GMOZSEIZKNSCLZ-NXEZZACHSA-N	314.769	1.252	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)COC(F)F)cc1	803170609	VXMVICLKKJIIDK-UHFFFAOYSA-N	302.277	1.014	50	20	DDGD	
O=C(Cc1cc(F)cc2c1OCOC2)NNc1cccc(F)n1	804770809	SXYULHMILIVLBF-UHFFFAOYSA-N	321.283	1.912	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccccc1Cl)[C@H]1CCCCO1	296673736	HGDPCAFLTLMZBU-SNVBAGLBSA-N	318.782	1.219	50	20	DDGD	
O=C(NNc1ncccc1F)c1cncc(N2CCOCC2)c1	804212215	LCKRGTZSRSELGM-UHFFFAOYSA-N	317.324	1.209	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)O1	294250511	NYBKCNACPDOWKN-HBEIAFGSSA-N	306.337	1.644	50	20	DDGD	
Cc1cnc(Cl)c(NC(=O)NNC(=O)[C@@H]2CCCCO2)c1	297871598	QDYIOGVDLLLLAV-JTQLQIEISA-N	312.757	1.765	50	20	DDGD	
COC(=O)N(C)NC(=O)C1(Cc2ccc(F)cc2)CCOCC1	293655753	NJWNBAFABVWNNP-UHFFFAOYSA-N	324.352	1.894	50	20	DDGD	
CC#CC(=O)NNc1ccccc1S(=O)(=O)NC(C)(C)C	801175644	FCNOSGNKHZWNMV-UHFFFAOYSA-N	309.391	1.230	50	20	DDGD	
C[C@H]1CCCN(c2cc(C(=O)NNC(=O)CC3CC3)ccn2)C1	294237095	RXDIEDOVMBJGAF-LBPRGKRZSA-N	316.405	1.879	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-]	294268518	GQMKGWJZGCFGEX-UHFFFAOYSA-N	317.223	1.785	50	20	DDGD	
CC(C)(C)[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1conc1C1CC1	290505967	SWWKGYHTLAHURJ-GWCFXTLKSA-N	321.377	1.764	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cnn2ncccc12	805387095	UNSANTOTVYWTIF-UHFFFAOYSA-N	312.289	1.703	50	20	DDGD	
O=C(Cc1cccc(Cl)c1F)NNC(=O)[C@@H]1CCCO1	292103523	IFTLPNCKSWPEPO-JTQLQIEISA-N	300.717	1.348	50	20	DDGD	
O=C(NNc1ncccc1F)NC1CCN(C(=O)C2CC2)CC1	804902399	DZAXBPWPTPOIKL-UHFFFAOYSA-N	321.356	1.248	50	20	DDGD	
COc1ccc(F)c(NC(=O)C(=O)NNc2cccc(F)n2)c1	807392100	RUFJDRBRXUNSEO-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
CO[C@@H]1CCC[C@H](C(=O)NNC(=O)Cc2ccccc2C)C1	814410313	IBVQQCUGYYQVBV-LSDHHAIUSA-N	304.390	1.890	50	20	DDGD	
CC1(C)[C@H](NC(=O)NNc2ncncc2F)[C@H]2CCCO[C@H]21	814306012	MFHZLEUCLOINLH-FBIMIBRVSA-N	309.345	1.445	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)Cc2occc2C)n1	814328001	OUDBMHZRADNECD-UHFFFAOYSA-N	302.334	1.778	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)CCCc2ccccc2)on1	814833857	SELHFROMACZJNK-UHFFFAOYSA-N	315.329	1.934	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1ccn(-c2ccccc2Cl)n1	816633814	NRHWHODEJVPNNF-UHFFFAOYSA-N	303.713	1.401	50	20	DDGD	
COc1ccccc1C(=O)NN=Cc1c(Cl)nc(N)n1C	814843687	KTFNCFAGTOWITC-UHFFFAOYSA-N	307.741	1.428	50	20	DDGD	
Nc1ncc2c(n1)CCCC2=NNC(=O)Cc1ccccc1F	814842392	GGPZACXWSPWIEG-UHFFFAOYSA-N	313.336	1.597	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ncc(C(C)(C)C)s1	814865633	UYZVGPNTWWUAKN-JTQLQIEISA-N	313.423	1.942	50	20	DDGD	
CCNC(=O)NNC(=O)CCc1cccc(OC(F)F)c1	819163108	GNXDVTBCOCFXCH-UHFFFAOYSA-N	301.293	1.571	50	20	DDGD	
O=C(NNc1ncncc1F)c1c[nH]nc1-c1ccccc1F	817082630	VJVOGTYUDOTZKO-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
C=CCN1C(=O)C(=NNC(=O)N=c2cc[nH]cc2)c2ccccc21	815000104	FXMXIAHQIARTQA-UHFFFAOYSA-N	321.340	1.562	50	20	DDGD	
CN(NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)C1CC1	819652797	AHCHAWZVJCGUMR-UHFFFAOYSA-N	301.306	1.724	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2c[nH]c(C(=O)O)c2)c1	814716485	LRJLUYXCQZUORR-UHFFFAOYSA-N	301.302	1.550	50	20	DDGD	
CCC[C@@H]1C[C@H]1C(=O)NNC(=O)Cc1nc2ccccc2n1C	812453059	POFFTMLWZJYRHL-VXGBXAGGSA-N	314.389	1.699	50	20	DDGD	
Cn1cc(C=NNC(=O)Nc2ccc3c(c2)OCO3)c(O)n1	814993319	REAVEETZLRMUDD-UHFFFAOYSA-N	303.278	1.010	50	20	DDGD	
O=C(CCc1cccnc1)NNC(=O)CCc1ccccc1O	725896912	UGBYSOSWQLBHPE-UHFFFAOYSA-N	313.357	1.500	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)NCC2=CCCC2)c1	823093491	DWYSCHIZVAFHPK-UHFFFAOYSA-N	309.391	1.827	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@@H]2CCS[C@H]2C)cc1	827648701	FGPATQXRKKKGKP-JOYOIKCWSA-N	324.406	1.925	50	20	DDGD	
CCON1CCC(CC(=O)NNc2nc(C)cc(OC)n2)CC1	829481585	BITYUSSCCPKFRB-UHFFFAOYSA-N	323.397	1.290	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1	823936034	YOMKXKHTLCXULU-ZYHUDNBSSA-N	315.414	1.024	50	20	DDGD	
Cc1cc(NNC(=O)c2cccc(N3CCOC3=O)c2)ncn1	491366973	NSQDXIDKUCCGFJ-UHFFFAOYSA-N	313.317	1.499	50	20	DDGD	
C=CCC[C@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)OCC	491160431	LGWYKDKJINXHGZ-MQJVFOOVSA-N	316.361	1.341	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NN(C)[C@H](C)CO)c1C	823976921	LGFGOLPRCHBCIN-BPKVKKHESA-N	318.421	1.766	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)C1(Cc2ccc(F)cc2)CCOCC1	823922192	IWUOWZODWCKOIE-ZDUSSCGKSA-N	324.396	1.509	50	20	DDGD	
COc1ccc(CC(=O)NNC(=S)NCC2CCC2)cc1	727271535	CLVMIKJWHPTTBB-UHFFFAOYSA-N	307.419	1.533	50	20	DDGD	
Cc1nnc(CCC(=O)NNc2ccc(F)c(F)c2F)o1	821153060	OCYOOIJJAVSFDR-UHFFFAOYSA-N	300.240	1.871	50	20	DDGD	
Cc1cc(C(=O)NN(C)[C@H](C)CO)nn1-c1ccccc1Cl	823938834	BFZLQGPCKOMSMV-LLVKDONJSA-N	322.796	1.792	50	20	DDGD	
O=C(CCc1ccccc1)NN=Cc1ccccc1-c1nn[nH]n1	826409396	WZUIESXKWSBTNB-UHFFFAOYSA-N	320.356	1.950	50	20	DDGD	
C[C@@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)[C@@H]2CCCC[C@@H]12	584972815	HOMJQGIPXFLAIM-IFUGULHKSA-N	305.158	1.156	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)CN2CCCC2)c1	822511136	LHXAWWIKQTWEDO-UHFFFAOYSA-N	305.382	1.319	50	20	DDGD	
CN(C)c1ccc(C(=O)O)cc1C=NNC(=O)C1CCOCC1	901276927	YABOZIMDROHZTP-UHFFFAOYSA-N	319.361	1.328	50	20	DDGD	
CN(C(=O)c1cccc(B(O)O)c1)C1CC(c2ccccc2)C1	584962305	LLIKUKVNMAWPOW-UHFFFAOYSA-N	309.174	1.385	50	20	DDGD	
CC(C)N1CCN(CCC(=O)NNc2ncccc2F)CC1	908129669	ZVGISWBADKKIFQ-UHFFFAOYSA-N	309.389	1.080	50	20	DDGD	
C[C@]1(C(=O)N2CCC[C@H](CC(N)=O)C2)C[C@@H]1Br	906886008	QYOJMVYHFNCIOQ-PTRXPTGYSA-N	303.200	1.274	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(C)c(OC(F)F)c(C)c1	823855766	FRNHDEKIZFXIFV-UHFFFAOYSA-N	302.321	1.864	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(C)Cc1cccc(-c2nn[nH]n2)c1	825582976	PSEKICQXWCKXEZ-RAXLEYEMSA-N	312.333	1.269	50	20	DDGD	
C=CCC1(NC(=O)c2ccc(B(O)O)c(F)c2)CCCCC1	584997138	WACNSZOIGOJIES-UHFFFAOYSA-N	305.158	1.514	50	20	DDGD	
CCn1cc(C=NNC(=O)[C@@H](C)CN2CCCCCC2)nn1	901155325	LKJZCFFQQGWBFP-ZDUSSCGKSA-N	306.414	1.260	50	20	DDGD	
CC(C)(C)OC(=O)NCC1(C(=O)NNc2ccccn2)CC1	495430055	QLDDXRBZSPPYNS-UHFFFAOYSA-N	306.366	1.830	50	20	DDGD	
O=[N+]([O-])c1ccc(Br)cc1N1CC[C@@H](B(O)O)C1	585073739	OOBBZRZOAAAPLM-SSDOTTSWSA-N	314.932	1.410	50	20	DDGD	
Cc1noc(CNC(=O)NNc2cc(C(F)(F)F)ccn2)n1	836344628	AFUAUTZSSGAAHE-UHFFFAOYSA-N	316.243	1.618	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1CCN(CC2CC2)C1	736650864	HCCXEUBTIDFAAY-AWEZNQCLSA-N	316.405	1.423	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cccc(NC(=O)O)c1	736262497	JCIOCOCVILYHFS-UHFFFAOYSA-N	310.379	1.684	50	20	DDGD	
O=C(CCCn1ccnc1)NNC(=O)Cc1ccccc1F	731328412	IHFFQOBMBKIDNA-UHFFFAOYSA-N	304.325	1.193	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)cc1F	833251249	UGGIVHMQTIZQHR-ZDUSSCGKSA-N	309.341	1.222	50	20	DDGD	
O=Cc1cccc(OCCC(=O)NNC(=O)C2CCCC2)c1	731608315	ROOVKUOBHNKPHL-UHFFFAOYSA-N	304.346	1.606	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)NC(CF)CF	836285643	KVCHVDGEAPSBRY-UHFFFAOYSA-N	310.304	1.279	50	20	DDGD	
Cn1cc(C=NNC(=O)COc2ccc(C#N)cc2)c(C2CC2)n1	901132598	CXMDVZZETMNJBE-UHFFFAOYSA-N	323.356	1.698	50	20	DDGD	
CO[C@](C)(C1CC1)[C@@H](C)N[C@@H](C)C(=O)NNC(=O)CC(C)C	839639083	LROHVFQPGBKNEZ-OZVIIMIRSA-N	313.442	1.362	50	20	DDGD	
Cn1cc(CCC=NNC(=O)Cn2cnc3ccccc32)cn1	834925019	HQSKMGCRMADJOC-UHFFFAOYSA-N	310.361	1.505	50	20	DDGD	
COc1ccc2c(c1F)NC(=O)C2=NNC(=O)[C@@H]1CCCCO1	834984298	BVTDCQHUHMQCML-JTQLQIEISA-N	321.308	1.176	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCOCC(C)C)cc1	915287404	MYPSBIWELSFFAS-UHFFFAOYSA-N	308.378	1.584	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNC(=O)CCc1ccccc1O	839662859	LKZLWWPHFRILKS-GFCCVEGCSA-N	322.361	1.062	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C[C@@H]2C[C@H]3CC[C@H]2O3)cc1	846377410	SVEPMUHLUDDNFM-NWANDNLSSA-N	318.373	1.803	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)N[C@H]1CCNC1	841941702	OXFYKXOXJRHKCF-QMMMGPOBSA-N	306.263	1.833	50	20	DDGD	
O=C(NN=Cc1cnc(C2CC2)nc1)c1ccc2c(c1)OCCO2	841615550	BCZIXTNTHJPIMG-UHFFFAOYSA-N	324.340	1.889	50	20	DDGD	
C[C@H](CNC(=O)NNc1ccc(Cl)nn1)N1CCCCC1	918119581	FPVYHDPVXAVLSV-SNVBAGLBSA-N	312.805	1.631	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(Nc2nccs2)cc1F	911444758	JCZAPRQUBOCVST-VIFPVBQESA-N	324.381	1.983	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Br)c1ncccn1	743282723	QHLHBVNUULNESC-UHFFFAOYSA-N	321.134	1.314	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNC(=O)C1CC2(CCC2)C1	843540058	ASHGQISJLJHXLW-UHFFFAOYSA-N	321.402	1.206	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@H]1CCCN2CCCC[C@H]12	847442848	OJLSRGCMYZWULT-LSDHHAIUSA-N	316.405	1.648	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccccc1C(F)(F)F	843637480	CNXJQGBGKHYWMM-DTWKUNHWSA-N	316.279	1.891	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)C1(c2ccccc2F)CC1	743471485	KHVBTLLNFXDIDW-UHFFFAOYSA-N	312.308	1.667	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NC[C@@H]1NCCc2ccccc21	841994924	FQGUNXTYCSDIMZ-AWEZNQCLSA-N	318.421	1.640	50	20	DDGD	
Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N(C)CC(Cl)Cl	848083159	MLCWKJBAOQRQGD-CYBMUJFWSA-N	321.204	1.170	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)CC(F)(F)F	915261380	MDUXAXCNVAVRMH-UHFFFAOYSA-N	321.211	1.073	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ncccc2C)cc1OC	749864771	RATMDDNNVRTUER-UHFFFAOYSA-N	315.329	1.482	50	20	DDGD	
CC(=O)N[C@H](C)C(=O)NNc1ccc(Br)cc1C	748736857	IXYYFSSVYWKKAH-MRVPVSSYSA-N	314.183	1.725	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2[nH]c(O)nc2C)cc1C	848107815	QIZFHINYEVWEMI-UHFFFAOYSA-N	318.333	1.666	50	20	DDGD	
CC(C)CN1CCC[C@@H](CNC(=O)NNC(=O)C2CCCC2)C1	746327994	IXBCYWGOQZWNAY-AWEZNQCLSA-N	324.469	1.875	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)C(=O)NC(C)C)C12CCCCC2	741462645	STBIKPCFXIAGIK-ZDUSSCGKSA-N	309.410	1.743	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCc1ccc([C@H]2C[C@H]2C)o1	843640694	DLAOJEVQOPNQBH-WVWOOGAGSA-N	320.389	1.908	50	20	DDGD	
CC(=NNC(=O)c1ccc(N)cc1)c1ccc2c(c1)NC(=O)CO2	744555195	ITVGZZUMDMBKOT-UHFFFAOYSA-N	324.340	1.754	50	20	DDGD	
C[C@@H](CC(=O)NNc1cccc(S(C)(=O)=O)c1)n1ccnc1	845918788	QMHNCJNHWIPMFZ-NSHDSACASA-N	322.390	1.381	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(F)c(F)cc1F	843662456	RDBLRAOCVFPZBA-BQBZGAKWSA-N	302.252	1.290	50	20	DDGD	
C=CCCOCC(=O)NNc1ncc(Br)cn1	848319896	FNGVYFRAJCTLRF-UHFFFAOYSA-N	301.144	1.275	50	20	DDGD	
CO[C@]1(CNC(=O)NNc2c(F)cc(F)cc2F)CCOC1	921984544	IJPCXBKFRPKZTP-ZDUSSCGKSA-N	319.283	1.536	50	20	DDGD	
CC(=NNC(=O)Cc1ccncc1)c1cc(C(=O)O)ccc1O	757465395	NVXMOMQBCMEJNQ-UHFFFAOYSA-N	313.313	1.568	50	20	DDGD	
Cc1nc(N2CCOCC2)sc1C(=O)NN=C[C@@H]1C[C@H]1C	758364983	JFAASIFQGCGDCB-KOLCDFICSA-N	308.407	1.660	50	20	DDGD	
C[C@@H]1COC[C@@H]1NC(=O)NNC(=O)Cc1c[nH]c2ccccc12	925992974	SUDJUPHOQXEFJV-YGRLFVJLSA-N	316.361	1.076	50	20	DDGD	
CC(C)CCO[C@@H](C)C(=O)NNC(=S)N[C@H](C)C1CC1	855103820	ZXHBXQAVDBAEIY-MNOVXSKESA-N	301.456	1.731	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2cccc(F)n2)C[C@H](C2CC2)O1	852709846	GAKGKTZYZOJOSM-JOYOIKCWSA-N	322.340	1.074	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cn(C)nc1C1CCCCC1	854926117	RIRFPOWYDZFONO-UHFFFAOYSA-N	309.439	1.549	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2nc(C)c(C)[nH]2)cc1C	853281345	ZGILMTNQJKJDBE-UHFFFAOYSA-N	313.361	1.732	50	20	DDGD	
C=CCC1(NCC(=O)NNC(=O)c2cccs2)CCCC1	852588586	VMEZRLGIOJPLRO-UHFFFAOYSA-N	307.419	1.988	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(C)c(NC(C)=O)c1	929728828	YXXRIUJIGLNJPX-UHFFFAOYSA-N	316.361	1.910	50	20	DDGD	
Cc1ccncc1CC(=O)NNC(=O)c1cc2c(s1)CCC2	854202767	LBJKFNPKDDTNHM-UHFFFAOYSA-N	315.398	1.944	50	20	DDGD	
Cc1ccc2c(c1)CN(CC(=O)NNC(=O)c1ccccc1)CC2	852403983	KGSCGJOTWOAMLZ-UHFFFAOYSA-N	323.396	1.814	50	20	DDGD	
O=C(NN=C/C=C/c1ccco1)c1ccc(-n2cnnn2)cc1	920368301	UZUSVORLNXVTCQ-XGZNWBDESA-N	308.301	1.684	50	20	DDGD	
Cn1cnc2cc(C(=O)NNC(=O)CC(F)(F)F)ccc21	753777499	GNBCVUJKKJZRGN-UHFFFAOYSA-N	300.240	1.287	50	20	DDGD	
CO[C@@H](C)CNC(=O)NNC(=O)c1ccc2ccccc2c1	851963248	JEIAPEYSHYRZPH-NSHDSACASA-N	301.346	1.819	50	20	DDGD	
CC1CC(C#N)(C(=O)NNC(=O)Cn2cnc3ccccc32)C1	758151067	DVRJGDVKWXGUNN-UHFFFAOYSA-N	311.345	1.124	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H]2CCN(C3CC3)C2)C[C@@H]1Br	856838658	DVTAXIBPLKXVTF-SUZMYJTESA-N	316.243	1.696	50	20	DDGD	
CN1CC[C@@H](C(=O)NNC(=O)c2cccnc2)c2ccccc21	750716018	WBJFXTQNMYRXLO-CQSZACIVSA-N	310.357	1.466	50	20	DDGD	
C[C@@]1(CNC(=O)N2CCC(CCN)CC2)C[C@@H]1Br	857105502	MGZOADBYHMORIU-AAEUAGOBSA-N	318.259	1.930	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccccc1C(=O)N(CC)CC	756203179	PKZQWIZDNBDWRH-UHFFFAOYSA-N	306.366	1.731	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H](c1cncn1C)N(C)C	857496072	KXKZKGHIYXZQED-CYBMUJFWSA-N	317.397	1.080	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(C)cc1	853387101	JWFNMTXWIWUWPJ-CVEARBPZSA-N	301.390	1.698	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCc1ccc(C#N)cc1	852447197	STULOSDFQHNBFR-UHFFFAOYSA-N	302.378	1.867	50	20	DDGD	
CC(C)N1CCC[C@H]1C(=O)NNc1nc(-c2cccnc2)no1	932466429	ARJMHTMLPMTENC-LBPRGKRZSA-N	316.365	1.448	50	20	DDGD	
C[C@H]1CCc2c(C(=O)NNC(=O)c3cc[nH]n3)csc2C1	855361718	HUHCOHLAAJLKLA-QMMMGPOBSA-N	304.375	1.671	50	20	DDGD	
CCc1cccc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c1	853391859	YOUUFOPNTBYHEL-CVEARBPZSA-N	301.390	1.562	50	20	DDGD	
CN(C)C(=O)NNC(=O)Cn1nc(C(F)F)cc1C(F)F	931119446	ONDPCTHJHXRKQS-UHFFFAOYSA-N	311.239	1.061	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)[C@@]12CCC[C@@H]1C2	935152028	PIYNALGFRDAUQJ-MEBBXXQBSA-N	306.387	1.822	50	20	DDGD	
CC1=C(C(=O)NNC(=O)Cc2ccncc2)CCN1C(C)C	934044343	URZAKTJXQINBSV-UHFFFAOYSA-N	302.378	1.160	50	20	DDGD	
CC[C@@H](CN1CCCC1)NC(=O)NNC(=O)CC(F)(F)F	758848193	IJQWXYJHDWMUPT-VIFPVBQESA-N	310.320	1.144	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2cc3c(s2)CCCC3)n[nH]1	869012864	FCMDNPVGCJOGQA-UHFFFAOYSA-N	318.402	1.662	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12)C1CCCC1	930134878	WQHVRQPCQHLBAN-SJCJKPOMSA-N	313.357	1.234	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cccc(Cn2cncn2)c1	863867450	ZSCJWAABGGRURH-UHFFFAOYSA-N	315.377	1.524	50	20	DDGD	
CCOc1c(Cl)cccc1C=NNC(=O)[C@@H]1CCC(=O)N1	863152963	JSEHWLLQRJLELG-NSHDSACASA-N	309.753	1.467	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)CC(F)(F)C(F)(F)F	866322441	VQDHTHFPOXPQNE-UHFFFAOYSA-N	311.210	1.359	50	20	DDGD	
C[C@@](NC(=O)NNC(=O)c1ccccn1)(C1CC1)C(F)(F)F	933581277	YXCKZXPUZGUTQV-GFCCVEGCSA-N	316.283	1.757	50	20	DDGD	
O=C(/C=C\c1ccc2c(c1)OCO2)NNc1ncc(F)cn1	762087807	LORTXVWTXCYNPI-RQOWECAXSA-N	302.265	1.501	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2cccc(Br)c2)N1	863147018	ZVBBVQHAGISIFI-SNVBAGLBSA-N	310.151	1.178	50	20	DDGD	
Cc1cc(C)c(NC(=O)C(=O)NNC(=O)CC2CC2)c(Cl)c1	764142029	AUODSFVGFKKNBZ-UHFFFAOYSA-N	323.780	1.843	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1cnn(CC2CC2)c1	866670255	IUGQMHQZABSGII-UHFFFAOYSA-N	312.373	1.605	50	20	DDGD	
CC(=O)N[C@@](C)(C(=O)NNc1ncnc2ccsc12)C(C)C	934897709	PNLUAPKKZATVGE-CQSZACIVSA-N	321.406	1.685	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCC(=O)NC1CCCC1	866671954	DNBJRRDBVDKPBJ-UHFFFAOYSA-N	310.847	1.230	50	20	DDGD	
O=S(=O)(CBr)N[C@@H]1CCc2cc(O)ccc2C1	767588006	TZWDSMVKGDWIPE-SNVBAGLBSA-N	320.208	1.521	50	20	DDGD	
O=C(NNC(=O)c1coc(C2CC2)n1)c1cccc([N+](=O)[O-])c1	763233562	OHLFXPFHSGIXQU-UHFFFAOYSA-N	316.273	1.535	50	20	DDGD	
COc1cccc(CC(=NNC(=O)[C@@H]2CCC(=O)N2)C2CC2)c1	863148129	UHDJUMHUTNWMAD-AWEZNQCLSA-N	315.373	1.399	50	20	DDGD	
CC(C)(C)c1nc(CC(=O)NNC(=O)c2cn[nH]c2)cs1	862471484	GIICBUOHNVTJFR-UHFFFAOYSA-N	307.379	1.167	50	20	DDGD	
COCCC(=NNC(=O)NCC(F)(F)F)C1CCOCC1	764905334	UZRKMYRNDHLUAV-UHFFFAOYSA-N	311.304	1.667	50	20	DDGD	
Nc1cnnc(NNC(=O)CC2C[C@@H]3CC[C@H](C2)N3)c1Cl	1118201799	NMZZKGVIFIGSLX-CBLAIPOGSA-N	310.789	1.076	50	20	DDGD	
CC(Cc1ccsc1)=NNC(=O)CNC(=O)c1cccnc1	763195574	MOHNLOOYXJYLJB-UHFFFAOYSA-N	316.386	1.608	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)C#Cc1ccccc1	766667841	DJNJZWDMJDYDQW-UHFFFAOYSA-N	314.366	1.585	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cccc([C@H]2CCOC2)c1	762101555	IXIQUJSXHRYVSA-LBPRGKRZSA-N	302.309	1.877	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc3ccccc3c(=O)o2)n1	764214454	ASKHGSWGENEASL-UHFFFAOYSA-N	312.285	1.349	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2ccc(OC)cc2)ccn1C	1117628357	DRTDOIPSPJNJMP-UHFFFAOYSA-N	301.346	1.671	50	20	DDGD	
CCSc1cccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1	1118912291	VWOTULDRENOEPU-LLVKDONJSA-N	322.390	1.230	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2cccc3c[nH]nc23)c1	878776387	LBVGOFMKPZNOLZ-UHFFFAOYSA-N	323.356	1.704	50	20	DDGD	
O=C(NCC(Cl)Cl)[C@H]1CC12CCS(=O)(=O)CC2	1118378009	KMGSSKBPTUNQSW-SSDOTTSWSA-N	300.207	1.121	50	20	DDGD	
COCCOc1ccc(NC(=O)NNc2ncccn2)cc1F	775557353	XGWPHFZLVZIMKP-UHFFFAOYSA-N	321.312	1.790	50	20	DDGD	
Cc1ccc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)cc1F	771911786	OOOPTAFUUMVONX-NSHDSACASA-N	324.352	1.873	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NN=c1cc[nH]c2ccccc12)C(C)C	878766331	XEFQXWRZOARCBR-OAHLLOKOSA-N	315.373	1.935	50	20	DDGD	
CC(C)Oc1cc(NC(=O)C(=O)NNC(=O)C(C)(C)C)ccn1	778694297	ZKPRPSBCEGQLPK-UHFFFAOYSA-N	322.365	1.001	50	20	DDGD	
C#C[C@H](NC(=O)NNc1cccc(C(=O)OC)c1)[C@@H]1CCCO1	776234759	MRARTHPNZJBKGY-KBPBESRZSA-N	317.345	1.280	50	20	DDGD	
CN(NC(=O)c1ccc(Cl)c(Br)c1)C(N)=O	778411846	HHUAUQNVAOUGPY-UHFFFAOYSA-N	306.547	1.758	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](F)Cc1ccccc1	772242481	SVMVNKGFLSHIGM-CMPLNLGQSA-N	310.325	1.056	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)Cc2cccnc2)c1F	771252977	QLAQSEKOGOMJQI-UHFFFAOYSA-N	318.308	1.625	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1nc2c(s1)C[C@@H](C)CC2	1116718914	OKQWOCJUUXLTEU-QMMMGPOBSA-N	311.411	1.966	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2NC(=O)O[C@H]2C)c(C)c1	873759513	VQYOJWSERPRVQT-ONGXEEELSA-N	322.390	1.118	50	20	DDGD	
CCNC(=O)c1ccc(C)c(NC(=O)NN(C)CCOC)c1	878235579	IOAQXBIWZYYYMC-UHFFFAOYSA-N	308.382	1.359	50	20	DDGD	
CN(NC(=O)c1csc(COc2ccc(F)cc2)n1)C(N)=O	778417740	DIZKHTHPGDNGCQ-UHFFFAOYSA-N	324.337	1.517	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)Cc1cccc(F)c1	772046154	DTWCAFDTILWNLA-MNOVXSKESA-N	324.352	1.493	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H](OC)c1ccccc1Cl	875386478	SPASGSOKWOCAGS-NSHDSACASA-N	315.757	1.940	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc2c(C(=O)OC)c[nH]c2c1	880164710	HJOICJCKSJWXAQ-UHFFFAOYSA-N	320.349	1.569	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCCO[C@H]1CCOC1	885725138	SJGDFTTYZVOHFO-UWVGGRQHSA-N	308.216	1.718	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2ccc(C#N)s2)c1	776528753	RJGISKTTWFFOPQ-UHFFFAOYSA-N	321.383	1.780	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)C2CCOCC2)c1C	880173165	HTNCXWGPJBLOPI-UHFFFAOYSA-N	307.350	1.583	50	20	DDGD	
COC(=O)[C@@H](CC(F)(F)F)NS(=O)(=O)CCCCl	882072997	YWONYXZCBYOWSY-ZCFIWIBFSA-N	311.709	1.029	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C(C)C)c(OCC2CC2)c1	788143739	RLOWFXLBTMPKLY-UHFFFAOYSA-N	306.362	1.901	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cnn(C)c1C(F)(F)F	887141638	BWFDYTYFXWPWMZ-UHFFFAOYSA-N	302.256	1.003	50	20	DDGD	
O=C(CCNS(=O)(=O)CCCCl)OC1CCCCC1	882166228	LXNSOMDJEFDJMY-UHFFFAOYSA-N	311.831	1.801	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCC(=O)NOCc1ccccc1	786681313	TZEMTTCBOFBBRK-RIYZIHGNSA-N	300.314	1.638	50	20	DDGD	
CSc1nnc(CNS(=O)(=O)CCCCl)s1	882109395	IQBSNYGIAISANI-UHFFFAOYSA-N	301.846	1.308	50	20	DDGD	
O=C(NNc1ncncc1Cl)Nc1ccn(CC(F)F)n1	782051099	TUEYOZPVRCHNJG-UHFFFAOYSA-N	317.687	1.740	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2ccnc(C)n2)c1	780824180	UWNIZYHCIYFNMT-UHFFFAOYSA-N	315.333	1.398	50	20	DDGD	
COc1cc(C)ccc1C(=O)NNC(=O)NCC(F)(F)F	781026801	WSSCLCFHDRFSEF-UHFFFAOYSA-N	305.256	1.510	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)Cc1ccc2n[nH]cc2c1	899997097	HICIOQQTWVSBMU-UHFFFAOYSA-N	305.407	1.399	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)CCC(C)(C)O)c1C	786663227	NYFGMLQYWKYHMW-ZDUSSCGKSA-N	322.405	1.769	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H]1CCN(CC2CC2)C1	787332618	SEVDSMLSHOGOAK-LRQZKABGSA-N	311.385	1.900	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(O)n1	788262928	IPNPZXCUSMFZCH-UHFFFAOYSA-N	315.373	1.765	50	20	DDGD	
C[C@@H](NC(=O)CCc1ccccc1)C(=O)NNC(=O)C(C)(C)C	799410408	OJJZUNIFCWBTAK-GFCCVEGCSA-N	319.405	1.317	50	20	DDGD	
CN(CCC(=O)NNC(=O)Cc1ccncc1)C1CCCCC1	791132174	KEUUEJFRPLXMFR-UHFFFAOYSA-N	318.421	1.426	50	20	DDGD	
COc1cccc2c1CCCC2=NNC(=O)C(=O)NC(C)C	799475307	SWUKKXFZRSWFBN-UHFFFAOYSA-N	303.362	1.376	50	20	DDGD	
COc1ccc(NNC(=O)CCc2cnccn2)c([N+](=O)[O-])c1	793688335	ZSMOSHCOFPPHFO-UHFFFAOYSA-N	317.305	1.469	50	20	DDGD	
COC(=O)Cc1cccc(NC(=O)NNc2ncccc2C)n1	792407803	XQEFERGGXJVHPI-UHFFFAOYSA-N	315.333	1.649	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCC(F)(F)C2)cc1	797608877	OMCMRMHQIWRLJM-LLVKDONJSA-N	323.299	1.520	50	20	DDGD	
C#Cc1cncc(C(=O)NNC(=O)COc2cc(C)ccc2C)c1	798273395	XPRLCKJAOIFODU-UHFFFAOYSA-N	323.352	1.520	50	20	DDGD	
CN(C)Cc1cnc(/C=C(/C#N)C(=O)N=c2cc[nH]cc2)s1	794702005	MJKJUHBFRIWODA-XFFZJAGNSA-N	313.386	1.567	50	20	DDGD	
O=C(CCc1ccccc1O)NN=C1CC(=O)N2CCCC[C@@H]12	799480236	QSKAANNEESZYQC-AWEZNQCLSA-N	315.373	1.582	50	20	DDGD	
Cc1cccc(C(=O)NNS(=O)(=O)c2ccc(F)c(C)c2)n1	794599779	MZMSNFXAUWGKGB-UHFFFAOYSA-N	323.349	1.461	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2ccc(C(C)(C)C)nn2)CCO1	1319712109	NMGSMJTXEYUPQV-WDEREUQCSA-N	307.398	1.968	50	20	DDGD	
C[C@@]1(Cn2nnnc2N2CCSCC2)C[C@@H]1Br	1336187598	QRQXLWXEHFEYEQ-WPRPVWTQSA-N	318.244	1.400	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](C(=O)NNC(=O)CCCc2ccccc2)C1	1338828652	RWTZCXPGCHJWJC-OKILXGFUSA-N	318.373	1.356	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1cnn2ccncc12	1257500963	OPCHKBSXZPIYOL-UHFFFAOYSA-N	320.312	1.328	50	20	DDGD	
C[C@@H](NC(=O)c1cccc(CCl)c1)[C@H]1CN(C)CCN1C	1335824935	NPQBVOMKTDKMCD-IUODEOHRSA-N	309.841	1.790	50	20	DDGD	
O=C(NNc1ccc(-n2cccn2)nn1)N[C@H]1CCC[C@H](F)C1	1332092966	HBJKBCQWXWFSGX-QWRGUYRKSA-N	319.344	1.569	50	20	DDGD	
O=C(CCc1ccc2c(c1)CCO2)NNC(=O)C1CCOCC1	1336932998	CMJBAIZTGOZJTO-UHFFFAOYSA-N	318.373	1.128	50	20	DDGD	
CCN(CC)CC[C@@H](C)NC(=O)NNC(=O)c1ccccc1O	1347557757	QSRKUQLEIGXUTH-GFCCVEGCSA-N	322.409	1.457	50	20	DDGD	
CC(CCc1ccc2c(c1)OCO2)=NNC(=O)c1cccnn1	1262038065	WCIYXDDEGGFEPA-UHFFFAOYSA-N	312.329	1.944	50	20	DDGD	
Cc1ccc(C(=O)NCC(=O)NNc2ccc(C#N)cc2)s1	1340924461	ACHQMTMTWPTEBG-UHFFFAOYSA-N	314.370	1.801	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)Nc1nn(C)cc1C(=O)O	1600430631	ASHZTTKSCLPNBY-UHFFFAOYSA-N	307.285	1.714	50	20	DDGD	
CC[C@H](C)C(=O)NN=Cc1ccc(-c2nn[nH]n2)c(OC)c1	1609184001	MCAMYFLITVMLAF-VIFPVBQESA-N	302.338	1.372	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H]1CCCC[C@H]1C(=O)O	1606621454	BPLFEFAPTDWIPV-WDEREUQCSA-N	320.345	1.807	50	20	DDGD	
Cc1nn(C)cc1CC(=O)NNc1ccc(C(=O)O)c(Cl)c1	1600775588	FIAYWVXIQIMTAY-UHFFFAOYSA-N	322.752	1.766	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)c1cn2ccccc2n1	1601557657	YLPZBTJULYHBFV-UHFFFAOYSA-N	314.276	1.929	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1nccc(C)n1	1607142034	WCHRXQMAWFMRIK-UHFFFAOYSA-N	302.290	1.249	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)N[C@H]1CO[C@@H](C2CC2)C1	1601556658	GVNHJUOKCPSRGM-ZWNOBZJWSA-N	323.324	1.718	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C(=O)NN=C[C@H]1CCOC1	1549309844	RCTBELPAGXFLEZ-FRRDWIJNSA-N	306.366	1.026	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCO[C@@H]1c1nccn1C)C(F)(F)F	1549308257	ALJUUZUQXXIUCF-UWVGGRQHSA-N	318.299	1.942	50	20	DDGD	
CN(C)C1(C)CCC(=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)CC1	1549906146	YUUQGEBYBXTZCX-BLBXNVQISA-N	322.453	1.216	50	20	DDGD	
O=C(O)c1cc(C(=O)NNc2cccc(F)n2)cc([N+](=O)[O-])c1	1610809985	GTTWMGUOLOLZQI-UHFFFAOYSA-N	320.236	1.584	50	20	DDGD	
CC(Cc1cccc(F)c1)=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549316255	FKWFXKPWHYQYSC-JKSUJKDBSA-N	319.380	1.724	50	20	DDGD	
O=C(NNc1ccc(F)cc1Br)[C@@H]1COCCN1	1574334713	UYFFTRLJRRVJMM-JTQLQIEISA-N	318.146	1.020	50	20	DDGD	
C[C@@H]1OC(C)(C)N[C@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	1576899443	RVTUTUSLOTVWPX-QUBYGPBYSA-N	319.192	1.945	50	20	DDGD	
CC(C)(C)[C@H](O)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1841313970	GKSZXKQFTPZUPK-NXEZZACHSA-N	320.792	1.131	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@H](C(=O)O)c2ccccc2)cn1	1594539772	YMOJDQAOXNVOAU-GUNGLEHYSA-N	310.313	1.269	50	20	DDGD	
COC[C@@]1(C(=O)NNc2cccc(F)c2C(=O)O)CCOC1	1599187335	WVAYVINDGDSXMZ-AWEZNQCLSA-N	312.297	1.020	50	20	DDGD	
C[C@H]1CCC[C@]1(C)C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1590248853	PSLIBYKHTUTOOX-XPTSAGLGSA-N	301.354	1.531	50	20	DDGD	
O=C(Cc1ccsc1)NNC(=O)[C@@]1(C(=O)O)C[C@H]2CC[C@H]1C2	1594711875	NXRLKBGZZKCKJA-CCUNJIBTSA-N	322.386	1.329	50	20	DDGD	
O=C(/C=C\COc1ccccc1)NNc1ncccc1C(=O)O	1594668813	XIVJMDGDHPVJFX-UITAMQMPSA-N	313.313	1.858	50	20	DDGD	
C[C@H](NC(=O)[C@@]1(c2ccccc2)C[C@@H]1Br)C(=O)O	1594234610	SQHYRBYTDOYUPF-GMOODISLSA-N	312.163	1.681	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COC)C2	1793679953	CXTSUYYRFUTPRB-YVECIDJPSA-N	316.829	1.679	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c(C)o1	5272392	FEDZLMKDGHKIDH-UHFFFAOYSA-N	316.313	1.742	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)NNC(=O)COCc1ccccc1	162557938	IKVXWDVOJYEVLH-DOMZBBRYSA-N	318.373	1.356	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)nc(C)n1	163848469	UIWJSCAAJXOMCO-UHFFFAOYSA-N	303.278	1.464	50	20	DDGD	
O=c1[nH]c(/C=C/c2cnn(CCCl)c2)nc2cnccc12	151465313	WWVYJNDKTRUTIT-OWOJBTEDSA-N	301.737	1.924	50	20	DDGD	
C[C@H](NC(=O)C(C)(C)C)C(=O)NNc1cccc([N+](=O)[O-])c1	151791646	MWXUPYJTSDKURK-VIFPVBQESA-N	308.338	1.589	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)CC(=O)NNC(=O)NCC(F)(F)F	155516508	HHPFFPWZNSKBGB-LURJTMIESA-N	322.287	1.678	50	20	DDGD	
Cc1ncc(C(=O)N(C)NC(=O)OCc2ccccc2)n1C	912835936	OECWGNSTHFRUSH-UHFFFAOYSA-N	302.334	1.642	50	20	DDGD	
O=C(NNS(=O)(=O)CCc1ccccc1)c1ccccc1	236674	KRRBMTIKXCFLSD-UHFFFAOYSA-N	304.371	1.494	50	20	DDGD	
CCc1nc(CC(=O)NNC(=O)Cc2ccc(F)cc2)cs1	55140306	GPJGUMAEDVZTKD-UHFFFAOYSA-N	321.377	1.777	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)[C@H]1CSc2ccccc21	173960360	NQLQMNYCFQQUPL-VIFPVBQESA-N	312.358	1.686	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NC[C@H]1CCCOC1	57160439	NYCKJJABNAAHNE-GFCCVEGCSA-N	306.366	1.757	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1nnc(C(C)(C)C)o1	110104000	NYYPSOLYLKJQBA-SSDOTTSWSA-N	300.384	1.405	50	20	DDGD	
Cc1noc(Cl)c1CC(=O)NNc1nccnc1Cl	114896105	WCKHIHWJXQQPGZ-UHFFFAOYSA-N	302.121	1.766	50	20	DDGD	
CC(=O)Nc1ccc(F)c(C(=O)NNC(=O)c2cccn2C)c1	64749098	AQTUOOGEDSNFNG-UHFFFAOYSA-N	318.308	1.197	50	20	DDGD	
CCN(C)[C@H](C(=O)NNC(=O)c1c[nH]nc1C)c1ccccc1	110761341	XCCIQOAJHHUMOA-AWEZNQCLSA-N	315.377	1.172	50	20	DDGD	
Cc1cccc(O[C@H](C)CNC(=O)NNc2ncccn2)c1	176052872	NYXJFPHVXMAKHA-GFCCVEGCSA-N	301.350	1.879	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CCOCC(F)(F)F	67435298	TVQMYFNUTXSXEI-UHFFFAOYSA-N	320.267	1.425	50	20	DDGD	
CCn1c(NNC(=O)CCCCOC)nc2ccccc2c1=O	122279290	UGAZYJSPUCURPO-UHFFFAOYSA-N	318.377	1.676	50	20	DDGD	
CN(C)[C@@H]1CCC[C@H](NC(=O)NNC(=O)c2ccccc2O)C1	176575858	UVCREMJRQRJBBC-NWDGAFQWSA-N	320.393	1.209	50	20	DDGD	
O=C(CCCC1CCCC1)NNC(=O)CNC(=O)c1ccco1	172977238	QAJWDWIJRHACES-UHFFFAOYSA-N	321.377	1.517	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NCC1CCOCC1	171280267	UAQMDYNWOJHDLK-UHFFFAOYSA-N	319.405	1.766	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1cccnc1	178858633	IWCFCTHBBZWUMR-UHFFFAOYSA-N	320.692	1.718	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1n[nH]c2c1CCC2	124458342	BOAAOIWXICQVMZ-UHFFFAOYSA-N	312.255	1.464	50	20	DDGD	
NC(=O)CN1CCCN(C(=O)c2cccc(CCl)c2)CC1	37833977	ONFUISXRAKFSLH-UHFFFAOYSA-N	309.797	1.059	50	20	DDGD	
CC(C)n1cccc1C(=O)NNC(=O)CNc1ccccc1	127785383	CDRUHBKHEAAXDI-UHFFFAOYSA-N	300.362	1.942	50	20	DDGD	
Cc1nn(C)c(-n2cccn2)c1C(=O)NNC(=O)CC(C)(C)C	188279178	PDAUZPCNOAFGBA-UHFFFAOYSA-N	318.381	1.111	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNc1cccc(S(C)(=O)=O)c1	181135420	FHHDFJLUBLDSMO-LLVKDONJSA-N	312.391	1.514	50	20	DDGD	
Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)CC(C)C)cn2)n1	32969580	JBYFGBKJHQXGIX-UHFFFAOYSA-N	315.377	1.691	50	20	DDGD	
C[C@H]1CC(NC(=O)NNc2nc3ccccn3n2)C[C@H](C)O1	189742031	KJFMTNBXWSCXMS-UWVGGRQHSA-N	304.354	1.311	50	20	DDGD	
COCc1cccc(CC(=O)NNc2nc(C)cc(C)n2)c1	187791252	VVRLHWVYDIYYFI-UHFFFAOYSA-N	300.362	1.926	50	20	DDGD	
COC(=O)C1CCC(C(=O)NNc2nnc(C3CC3)s2)CC1	184483164	DEJWLIGVSVOMJL-UHFFFAOYSA-N	324.406	1.838	50	20	DDGD	
CC[C@@H](C)[C@H](C)NCC(=O)NNC(=O)Cc1ccccc1C	183073411	JUMKMOOFFMCPHR-OCCSQVGLSA-N	305.422	1.709	50	20	DDGD	
Cn1cc(C(=O)NNc2cc(Cl)nc(N)n2)c(C(C)(C)C)n1	133989913	NXPNPWZWJFFMCA-UHFFFAOYSA-N	323.788	1.500	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C(=O)N2CCCC2)oc2ccccc12	132266669	DQMIISATAQSWMO-UHFFFAOYSA-N	315.329	1.125	50	20	DDGD	
C[C@H]1CCC[C@H](NC(=O)NNC(=O)Cc2ccncc2)CC1	190973549	ZBFVPIPKKBXIRJ-JSGCOSHPSA-N	304.394	1.923	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)c1cccc2ncccc12	130957570	ULVHHBIATNJXBV-UHFFFAOYSA-N	309.329	1.526	50	20	DDGD	
CN(C)[C@H](CNS(=O)(=O)CCCCl)c1cccs1	40809841	YAULRJDPIFUHMP-SNVBAGLBSA-N	310.872	1.899	50	20	DDGD	
Cn1cc(C(=O)NNc2nc3ccccn3n2)c(C(C)(C)C)n1	191912357	GAUOYZYJCMVPKF-UHFFFAOYSA-N	313.365	1.517	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)c1ccc2[nH]nnc2c1	132351095	QNWHASUPAXMBMF-UHFFFAOYSA-N	311.330	1.720	50	20	DDGD	
O=C(NNC(=O)C1(c2ccccc2)CCC1)N1CCOCC1	194898621	XTJLDCNOVUBLSV-UHFFFAOYSA-N	303.362	1.181	50	20	DDGD	
N#Cc1cccc(NNC(=O)NCCCOC[C@H]2CCCO2)c1	45162901	SBYZERLWXKPWTM-OAHLLOKOSA-N	318.377	1.770	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc2ccc(Cl)cc2n1	84273794	SQLAIQKUEXCYNN-ZDUSSCGKSA-N	319.748	1.828	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cc(Br)c[nH]1	49032307	PUZWXKLUTVZVCJ-UHFFFAOYSA-N	314.061	1.491	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1nc2c(s1)CCCC2	193274644	VCQCUEMZGALAEX-UHFFFAOYSA-N	317.374	1.499	50	20	DDGD	
CN1CCC(NC(=O)NNC(=O)c2cccc(Cl)c2)CC1	193140806	CNPFNKRPSOGSBE-UHFFFAOYSA-N	310.785	1.378	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1ccccc1OC(F)F	195443195	IDJHIHRXCNDRGS-UHFFFAOYSA-N	322.333	1.644	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCc2ncc(C(C)(C)C)o2)cn1	193652712	WQWPNRPIROLULX-UHFFFAOYSA-N	319.365	1.099	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)Cc2ccsc2)cc1	192741296	YPUPMYPQPNGDIG-UHFFFAOYSA-N	303.387	1.859	50	20	DDGD	
O=C(NCc1nccs1)NNC(=O)c1cccc(Cl)c1	194537332	CZKKCXKUCYBFQV-UHFFFAOYSA-N	310.766	1.941	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1ccccc1-n1ccnc1	98033579	GADPVYHCGHHMBJ-UHFFFAOYSA-N	315.377	1.749	50	20	DDGD	
CCO[C@H](C)C(=O)NNC(=O)c1ccc(Br)cc1	97292727	IFYMTKGMGFLVBE-MRVPVSSYSA-N	315.167	1.635	50	20	DDGD	
CO[C@@H](C)c1nc(CNC(=O)NNc2ncccn2)cs1	267735652	DVGXJIOVFGZXPT-QMMMGPOBSA-N	308.367	1.467	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCO[C@H](C)[C@@H]1C	268826869	BFZATSABNDLRED-WDEREUQCSA-N	307.350	1.159	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)CCCCCl)C[C@]2(CCOC2)O1	366509306	UCLQQXSAVKXJRA-NEPJUHHUSA-N	311.831	1.215	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1sc(C)cc1OC(F)F	272711107	XONLFVDHBAPHMN-UHFFFAOYSA-N	307.322	1.964	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)C1(C#N)CCCC1	273112148	BFJUGNSYDDWSSC-JTQLQIEISA-N	324.381	1.131	50	20	DDGD	
COc1ccc(NNC(=O)CCCNC(=O)OC(C)(C)C)nc1	275542767	LDHJWDWPFOGZFW-UHFFFAOYSA-N	324.381	1.838	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1cc(C)cc(C)c1	272333419	KXNYISOCXKQTPM-GFCCVEGCSA-N	309.366	1.508	50	20	DDGD	
COc1cccc(NNC(=O)NCCCc2nc(C)no2)n1	272613556	VBABJDJDIPWKEE-UHFFFAOYSA-N	306.326	1.041	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1	271244085	BSNAIKZEQFGMPP-AWEZNQCLSA-N	322.384	1.483	50	20	DDGD	
COc1cccc(NNC(=O)[C@H]2CCCc3nn(C)cc32)n1	375623742	IALALGMMTMNNGM-JTQLQIEISA-N	301.350	1.387	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CCC(F)(F)F)cc1	282581998	DQJDMVYFYUWHRC-UHFFFAOYSA-N	317.267	1.423	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1	286466198	UFBWJMPERFLCKJ-UHFFFAOYSA-N	322.321	1.538	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1ccccc1Cn1cncn1	283970991	XOEXXMAGBMXHJI-XNTDXEJSSA-N	311.345	1.387	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	372277208	GELCVOMJJKLPIH-HXFLIBJXSA-N	324.299	1.898	50	20	DDGD	
O=C(C[C@H]1CCCC(=O)N1)NNc1nc(C(F)(F)F)cs1	289618121	LMLNZQHYKOYXSR-ZCFIWIBFSA-N	322.312	1.664	50	20	DDGD	
CN(C)C(=O)N1CCC(C(=O)NNc2cccc(F)n2)CC1	286592893	OIQQPANYLUPEBN-UHFFFAOYSA-N	309.345	1.057	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1ccc(C(C)(C)C)cc1	288910029	KPUYKYAKXXAZLB-UHFFFAOYSA-N	300.380	1.876	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@@H]1C[C@@H](c2ccccc2)OC1=O	289367002	KYGJFJRTCFMYRR-STQMWFEESA-N	318.373	1.874	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNC(=O)Cc1ccccc1F	289842800	UTIIEUIYOKBAPR-JTQLQIEISA-N	310.325	1.105	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)Cc2nc[nH]c2C)c1	281295546	YJIZTJMDPSTQAP-UHFFFAOYSA-N	316.361	1.104	50	20	DDGD	
COc1cccc(CCC(=O)NNc2ncc(F)cn2)c1F	802913507	KUOPSAJBOMWYNS-UHFFFAOYSA-N	308.288	1.839	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@@H]3CCCN3C)cc2C1	299502406	ICRMDESSFWLYDK-PWSUYJOCSA-N	321.446	1.728	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2cnc(C3CC3)nc2N)c1	807063349	SLLOCQDDDWRZLH-UHFFFAOYSA-N	317.324	1.841	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@H](NCC(=O)NNC(=O)c2ccccc2)C1(C)C	296305019	ZZMHGTFTOXVXAC-BYCMXARLSA-N	319.405	1.097	50	20	DDGD	
Cc1ccc(-n2cnnc2)c(C(=O)NNc2ncccc2F)c1	804213097	GDMOOKKQTIRHPG-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
COc1cc(F)ccc1NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	292746143	UMSSDGCGECIAQD-KWQFWETISA-N	311.313	1.555	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2csc(NC3CC3)n2)O1	293794321	CHTVUBBLHXQJJF-XVKPBYJWSA-N	310.379	1.046	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@@H]1c1cccnc1	805747140	UDVACCLNNFJENL-DZGCQCFKSA-N	318.421	1.801	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2ccc(N)nc2)c(OC)c1	807970238	YLSSOBBRCPSHAN-UHFFFAOYSA-N	300.318	1.445	50	20	DDGD	
NC(=O)NNc1nc(-c2cc3c(cc2F)NC(=O)CC3)cs1	800720992	ISQJLVFMQWZLRA-UHFFFAOYSA-N	321.337	1.829	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1O	294010519	VUPNRCRAGVVMCN-QAARYAPESA-N	320.345	1.129	50	20	DDGD	
CCOC1(CNC(=O)NNC(=O)Cc2cccnc2)CCCC1	296292993	IXQOIKFJRZLPDG-UHFFFAOYSA-N	320.393	1.304	50	20	DDGD	
CCCCSCC(=O)NNc1ccc(-n2ccnc2)nn1	804950829	FZMXKIXWCGQOJA-UHFFFAOYSA-N	306.395	1.639	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc2ccccc2cc1O	298613250	IPHPTQBRFVKFJK-UHFFFAOYSA-N	317.345	1.526	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2cccnc2)on1)NC1CCCC1	299319770	GAULIMMKPOZHCY-UHFFFAOYSA-N	315.333	1.623	50	20	DDGD	
CCCSc1nsc(NC(=O)NNc2ccncn2)n1	297208774	VJDMXXIACAZWIM-UHFFFAOYSA-N	311.396	1.979	50	20	DDGD	
C[C@H](CCc1ccco1)NC(=O)NNC(=O)[C@@H]1CCCCO1	297465889	NKEPNTGTQSQGAM-YPMHNXCESA-N	309.366	1.500	50	20	DDGD	
CC[C@@H](C)Oc1cc(C(=O)NNc2ncncc2F)ccn1	294045063	OWJIYLQYSAUNMV-SECBINFHSA-N	305.313	1.945	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ccc(C#N)cc2)sn1	806984589	YDPPPLUQIMFVJY-UHFFFAOYSA-N	301.331	1.405	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H]1COc2ccc(Cl)cc2C1	294161862	NDDGQDZNPMFKBC-LLVKDONJSA-N	308.765	1.839	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)Cn2nc(C)cc2C)[C@]12CCCO2	819805559	YRRPCFPSFAZEDA-GDBMZVCRSA-N	320.393	1.330	50	20	DDGD	
Cc1nn(C)c(Br)c1C(=O)NCCCSC#N	816538773	GQQTZXUBRXGGBF-UHFFFAOYSA-N	317.212	1.825	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C2(F)CCCCC2)c1O	810191005	JKASVKIXTLAYFK-UHFFFAOYSA-N	310.325	1.834	50	20	DDGD	
C[C@@H]1SCCC1=NNC(=O)COc1ccccc1[N+](=O)[O-]	814743494	IEVRJBFWRLMFLP-VIFPVBQESA-N	309.347	1.971	50	20	DDGD	
COc1cccc(NNC(=O)NCc2cnccc2OC)n1	814416872	JOVCWAFZFITFMB-UHFFFAOYSA-N	303.322	1.320	50	20	DDGD	
Cc1ccc(C(=O)N2CCC[C@H](C(=O)NN(C)C3CC3)C2)cc1	819646074	ZUEQRBHSKJEJOQ-HNNXBMFYSA-N	315.417	1.973	50	20	DDGD	
O=C(C[C@H]1CCCS(=O)(=O)C1)NNc1cc(Cl)ccn1	815983405	BEUMMBVMJXWERK-SECBINFHSA-N	317.798	1.393	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=C1CCC(O)(C(F)(F)F)CC1	814957935	UNHPQGLXWZBRPT-UHFFFAOYSA-N	304.272	1.292	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNc1ccc(C)c(C(=O)OC)c1	816690547	VNASQUPEYGPIBG-UHFFFAOYSA-N	316.361	1.834	50	20	DDGD	
O=C(NN=Cc1cccc(C2CC2)c1)[C@@H]1CCS(=O)(=O)C1	817322901	ODEIAPMRDFONPQ-CQSZACIVSA-N	306.387	1.449	50	20	DDGD	
CC(C)c1nn(C)c(Cl)c1C=NNC(=O)Cc1cc[nH]n1	814954754	LTMPFPDPPASGAR-UHFFFAOYSA-N	308.773	1.613	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1cccc2nccn12	814951964	FHJOACIQBHLHEI-UHFFFAOYSA-N	310.313	1.569	50	20	DDGD	
CC(=NNC(=O)CC1CC1)c1ccc(NS(C)(=O)=O)cc1	814987527	RVPHYBLCHSZKTC-UHFFFAOYSA-N	309.391	1.698	50	20	DDGD	
Cc1ncc2n1CC[C@@H](C(=O)NN=c1cc[nH]cc1Cl)C2	810510999	GOPCAUJHYYSBHN-SNVBAGLBSA-N	305.769	1.368	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2cc[n+]([O-])cc2)cc1C	812719924	SGLYTDWZSLPISJ-UHFFFAOYSA-N	315.329	1.562	50	20	DDGD	
O=C(CCCc1ccccn1)NNc1nc(-c2cccnc2)no1	729534427	UFZBYNINRXTQOQ-UHFFFAOYSA-N	324.344	1.993	50	20	DDGD	
O=C(CCc1ccco1)NN=Cc1ccc(-c2nn[nH]n2)o1	822983105	KHNVHLPNQOGSIA-UHFFFAOYSA-N	300.278	1.136	50	20	DDGD	
C[C@@]1(C(=O)NNC(=S)NCCc2cccs2)CCOC1	820171009	BFWRPEDVIXVJPP-CYBMUJFWSA-N	313.448	1.213	50	20	DDGD	
CC(C)NC(=O)/C(C#N)=C\c1ccc(F)c(-c2nn[nH]n2)c1	824301394	WZKUGSYNODKHFE-YHYXMXQVSA-N	300.297	1.437	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)c2cc3c(s2)CCC3)c1Cl	822201697	RSFNQCQOYUXGFD-UHFFFAOYSA-N	324.793	1.699	50	20	DDGD	
CCn1c(SCC(=O)NN(C)[C@H](C)CO)nc2ccccc21	823988046	OORXSPHCCRDPRY-LLVKDONJSA-N	322.434	1.492	50	20	DDGD	
CCCCOc1cc(OC)ccc1C(=O)NN(C)[C@@H](C)CO	823935732	WBYURGDDTGPSIN-LBPRGKRZSA-N	310.394	1.832	50	20	DDGD	
CN(NC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)OC(C)(C)C	491106486	SKYJTEXFFZLMBQ-WDZFZDKYSA-N	305.338	1.225	50	20	DDGD	
O=C([C@H](F)c1ccc(C(F)(F)F)cc1)N1CC[C@@H](B(O)O)C1	585064205	NTIPPKPOSAYHHH-GHMZBOCLSA-N	319.063	1.791	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@H](C)[C@H]1CCCN(C2CCC2)C1	828808399	NAWAMJNAWOEIBS-KGLIPLIRSA-N	324.469	1.032	50	20	DDGD	
Cc1ccncc1/C=C\C(=O)NNC(=O)c1cccc(N(C)C)c1	492431137	ZROBSNBINZPSHM-FPLPWBNLSA-N	324.384	1.930	50	20	DDGD	
Cc1cc(C(=O)NNS(=O)(=O)C2CC2)c2ccccc2n1	727351072	ZXXOVKVUEFPDSP-UHFFFAOYSA-N	305.359	1.270	50	20	DDGD	
O=C(/C=C\c1cccc(F)c1)NNC(=O)N=c1cc[nH]cc1	493638603	AWHNTUJTZORNGC-PLNGDYQASA-N	300.293	1.509	50	20	DDGD	
CC1(C)CCC[C@@H]2CN(C(=O)c3cccc(B(O)O)c3)CC[C@H]21	584994065	CTMZHEOAXFNOKA-GDBMZVCRSA-N	315.222	1.655	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@H]1OCCN(C)C1=O	908326530	CKICVBMWCRBUAS-CQSZACIVSA-N	305.378	1.419	50	20	DDGD	
COC(=O)[C@H]1C[C@H](NC(=O)NNc2cc(F)c(F)c(F)c2)C1	824177562	RHTAUKYBQZSYLC-LJGSYFOKSA-N	317.267	1.682	50	20	DDGD	
Cc1ccc(CC(C)(C)NC(=O)c2cccc(B(O)O)c2)cc1	585001274	VGIWSYQEQACBCP-UHFFFAOYSA-N	311.190	1.426	50	20	DDGD	
O=C(NNC(=O)c1coc(-c2cccnc2)n1)NC1CCCC1	824343040	RRKNPICQBXVBSK-UHFFFAOYSA-N	315.333	1.623	50	20	DDGD	
C[C@]1(C(=O)NCCCOC[C@@H]2CCCO2)C[C@@H]1Br	906672179	XBQMBUPEFKOUBM-GVXVVHGQSA-N	320.227	1.862	50	20	DDGD	
CS[C@@H]1CC[C@H](NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)C1	826097716	IPHJPZFVONRUCR-LMLFDSFASA-N	301.412	1.026	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NNc2cnccn2)no1	734245230	QXKXPXZLXDLAOZ-UHFFFAOYSA-N	311.301	1.897	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C2(C#N)CCC2)o1	735939184	KQFWQAUKXRUHCZ-UHFFFAOYSA-N	316.325	1.115	50	20	DDGD	
COC(=O)N(C)NC(=O)C1CCC(OC[C@@H]2CCCO2)CC1	495815892	DVJPQGNXBVXELY-BPCQOVAHSA-N	314.382	1.470	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(CN2CCOC2=O)cc1	494363852	LKWSCWRJYQPECD-UHFFFAOYSA-N	322.321	1.421	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1cccnc1Cl	495449255	VEVNWAIBUJNVPV-UHFFFAOYSA-N	314.729	1.229	50	20	DDGD	
O=C(NCCOCC1CCCC1)NNc1ncncc1Cl	836671858	IUDMYKZYQSEBBM-UHFFFAOYSA-N	313.789	1.963	50	20	DDGD	
C=CCN(CC(=O)NNC(=O)Cc1ccccc1C)C(C)C	839467316	QPSWXKHNJLCFTA-UHFFFAOYSA-N	303.406	1.581	50	20	DDGD	
CC(C)[C@@H](NC(=O)O)C(=O)NNc1cccc2cnccc12	833468258	NUHFLHRNKKRBOC-CYBMUJFWSA-N	302.334	1.970	50	20	DDGD	
CC(=NNC(=O)C(C)C)c1cn(CC(=O)OC(C)(C)C)nn1	834928387	VLMNRMYAQJFLRA-UHFFFAOYSA-N	309.370	1.116	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1CC(c2ccccc2C)=NO1	906417104	VVLZEHJAAQKZLJ-AWEZNQCLSA-N	318.377	1.619	50	20	DDGD	
CN1CCCC[C@@H]1C(=O)NN=c1sc2ccccc2n1C	731868279	VQSHPDWSEXLXMU-GFCCVEGCSA-N	304.419	1.656	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)nc(C)n1	736719565	XSQKKZPGXOXXBP-GFCCVEGCSA-N	319.409	1.574	50	20	DDGD	
O=C1CCC(=NNC(=O)COc2ccc(Cl)cc2)CCN1	834921927	KKQHHNGWBWPPKS-UHFFFAOYSA-N	309.753	1.491	50	20	DDGD	
COc1ccc2nc(NNC(=O)[C@H](C)NC(=O)O)c(C)cc2c1	833734942	MNIOGDNRMCMPGQ-VIFPVBQESA-N	318.333	1.651	50	20	DDGD	
O=C1[C@H](NS(=O)(=O)CCl)CCCN1C1CCCCC1	831210687	JGKVNCRFWCCYKE-LLVKDONJSA-N	308.831	1.426	50	20	DDGD	
CC[C@@H](C)[C@H](NNC(=O)CCOc1ccccc1)C(=O)OC	905754860	IANMEYDKPFSQKM-DOMZBBRYSA-N	308.378	1.664	50	20	DDGD	
C#Cc1ccc(C(=O)NNc2nc3ccccc3c(=O)n2C)cn1	733261415	PYWJQEPICITRQE-UHFFFAOYSA-N	319.324	1.067	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NN=c1cc[nH]c2ccccc12	839664893	VKSDOEUMHIUJPF-LLVKDONJSA-N	301.346	1.689	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@H]1C[C@@]12CCCc1ccccc12	584911157	IGYIOWNAQFOPJS-IEBWSBKVSA-N	321.185	1.599	50	20	DDGD	
C[C@@H](C[C@@H](O)c1cccs1)NCc1ccc(B(O)O)cc1	585035315	RVGFSOJYZUVPBZ-SMDDNHRTSA-N	305.208	1.030	50	20	DDGD	
CO[C@@H]1CCC[C@@H](c2nc(-c3ccc(B(O)O)cc3)no2)C1	585053141	BTEAOCOOCHMCMS-DGCLKSJQSA-N	302.139	1.089	50	20	DDGD	
Cc1cc(NNC(=O)c2cnn(C)c2C(F)(F)F)nc(C)n1	736716199	HMCGUUBLXVVYET-UHFFFAOYSA-N	314.271	1.603	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCc3c(F)cccc32)c(F)c1	585019230	GQKGENQKWDFTHF-MRXNPFEDSA-N	303.117	1.422	50	20	DDGD	
CC(=NNC(=O)C(C)C)c1ccc(O)c(CN2CCOCC2)c1	916328152	YAQBHEJVBPKZQY-UHFFFAOYSA-N	319.405	1.721	50	20	DDGD	
CC(C)COc1ncc(C(=O)NN(C)C[C@H](C)O)cc1Cl	910152640	RMZFUFZCFHVEQR-JTQLQIEISA-N	315.801	1.727	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)o1)c1cccc([N+](=O)[O-])c1	919126562	JDKYTJNDBOLKKN-UHFFFAOYSA-N	309.665	1.916	50	20	DDGD	
CCOC(=O)[C@H](CC(=O)NNc1cccc([N+](=O)[O-])c1)C(C)=O	830761523	COPIZEGWSDMNJE-GFCCVEGCSA-N	323.305	1.196	50	20	DDGD	
O=C(CCc1cccc(Cl)c1)NNC(=O)N1CCOCC1	745991654	BANQCTMYUYYJAD-UHFFFAOYSA-N	311.769	1.346	50	20	DDGD	
C[C@@H](C(=O)NN(C)C[C@@H](C)O)N(C(=O)OC(C)(C)C)C1CC1	910144801	NFPARABPNWZDHZ-MNOVXSKESA-N	315.414	1.118	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NN[C@H](C(=O)O)c1ccccc1	833118527	OXJHSZZICJZFPF-HNNXBMFYSA-N	302.305	1.815	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H](C)CN2C[C@H](C)O[C@H](C)C2)c(C)[nH]1	917576282	PYDOTDLAWQCARB-FPMFFAJLSA-N	320.437	1.827	50	20	DDGD	
Cc1cnc(O)n1-c1ccc(C(=O)NNC(=O)CC(C)C)cc1	918759202	MZWOKWJILQJBHP-UHFFFAOYSA-N	316.361	1.693	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H]1CCN(C)[C@H](C)C1	746299559	QMHPWPXWIMFEMD-MFKMUULPSA-N	312.845	1.951	50	20	DDGD	
NCC[C@H](NC(=O)NNc1ncccc1Cl)C(F)(F)F	841335838	VVYVECMXKQGHSV-ZETCQYMHSA-N	311.695	1.641	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)C1CCCC1)c1ccc(C)o1	746777275	LIYGRAVLHXCOAS-LBPRGKRZSA-N	309.366	1.796	50	20	DDGD	
CN(CCNC(=O)NNC(=O)C1CCCC1)Cc1ccccc1	919790510	RFVQLVANFINBRP-UHFFFAOYSA-N	318.421	1.639	50	20	DDGD	
CC1=C(C(=O)NNC(=O)CNC(=O)c2cccs2)CCC1	746857002	DPYOWEMUZKPKSO-UHFFFAOYSA-N	307.375	1.126	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1CCO[C@@H](c2ccccc2)O1	847285223	FEBWDHJBDPDSOJ-TZMCWYRMSA-N	321.402	1.172	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(C(C)C)n1	843650642	FTYXNYJRQJCOEX-KOLCDFICSA-N	306.366	1.094	50	20	DDGD	
Cc1ccc(OCCNC(=O)NNC(=O)CC(F)(F)F)cc1	918058897	LZNQJNGQMYOXAS-UHFFFAOYSA-N	319.283	1.657	50	20	DDGD	
Nc1cc(C(=O)NN=Cc2c[nH]c3ncccc23)cc([N+](=O)[O-])c1	741755879	KWAZLCXUIBLEJH-UHFFFAOYSA-N	324.300	1.817	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cccc(CN2CCCCC2)c1	840299619	WAXCDIQNHKVWOP-UHFFFAOYSA-N	304.394	1.589	50	20	DDGD	
O=C(Cn1nnc2c1CCCC2)NNc1ccccc1Cl	847602272	VRDDIMAGNDQFAR-UHFFFAOYSA-N	305.769	1.954	50	20	DDGD	
Cc1c(C=NNC(=O)NC(C)C)c(=O)n(-c2ccccc2)n1C	745009569	VFRVZRTZKBTOAM-UHFFFAOYSA-N	315.377	1.526	50	20	DDGD	
CCCCNC(=O)NN=C1C(=O)N(C)c2ccc(OC)cc21	844577881	KHMUVXVUSIOJQT-UHFFFAOYSA-N	304.350	1.475	50	20	DDGD	
NC[C@@H]1CN(C(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)CCO1	846677060	JWZTWDDYXZCZEA-SRRSOLGSSA-N	317.227	1.126	50	20	DDGD	
CCSc1cccnc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843656545	AZHYCAQNYKQEKS-NXEZZACHSA-N	309.391	1.380	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)Cc2ccccc2F)CCN1C	745855077	RERDGSVHNCTHBN-YPMHNXCESA-N	322.384	1.181	50	20	DDGD	
O=C(NN=C1CCC(F)(F)CC1)N[C@H]1CCS(=O)(=O)C1	842524864	INVZXNZTTKVRFF-VIFPVBQESA-N	309.338	1.038	50	20	DDGD	
CC(C)c1ccccc1NC(=S)NNC(=O)[C@]1(O)CCOC1	840438371	AVDZQQPQDWLMHF-HNNXBMFYSA-N	323.418	1.279	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1(Cc2ccccc2)CCC1	843652481	JMBISTIPFTXERL-UKRRQHHQSA-N	316.401	1.972	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncc(Br)cn1)C1CC1	846764469	XGGVBKXYNQIBFM-ZCFIWIBFSA-N	300.160	1.664	50	20	DDGD	
C[C@@H]1O[C@H](C)C[C@H]1CNC(=O)NNC(=O)Cc1ccccc1F	840435877	NFZAKEQDXOEOHA-MDZLAQPJSA-N	323.368	1.512	50	20	DDGD	
COc1cccc(C=NNC(=O)C(=O)NC2CC2)c1OC(C)C	744827849	QOAYQGCWUNOLNW-UHFFFAOYSA-N	319.361	1.211	50	20	DDGD	
CC(=NNC(=O)c1ccc(-n2cnnn2)cc1)c1ccsc1	749099833	UHTBWJWACGWRAT-UHFFFAOYSA-N	312.358	1.878	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccncc1C(F)(F)F	844553784	XHOUXNOGMCSDFM-JTQLQIEISA-N	317.267	1.431	50	20	DDGD	
C[C@H]1CCCc2ncc(C(=O)NNC(=O)c3ccc(C#N)cc3)n21	845337995	BQOPBCNGQKWZAZ-NSHDSACASA-N	323.356	1.727	50	20	DDGD	
CC(=NNC(=O)Cc1ccncc1)c1ccc2nc(O)[nH]c2c1	747641683	GHABANCKQALDJS-UHFFFAOYSA-N	309.329	1.746	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cnc([C@@H]3CCCO3)s2)n[nH]1	755628721	UGUIKEWDNIDFKB-LBPRGKRZSA-N	319.390	1.719	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1cnccc1C	853389795	YZPREHVNOYRZNB-HIFRSBDPSA-N	302.378	1.093	50	20	DDGD	
C[C@@]1(CNC(=S)NCc2ccon2)C[C@@H]1Br	857203805	CQUOAEXFEJWFIU-WPRPVWTQSA-N	304.213	1.812	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)C2CCCC2)Cc2ccccc21	753339743	LWKCITCPMYEVDN-UHFFFAOYSA-N	316.405	1.869	50	20	DDGD	
CCC1(CC)[C@@H](NCC(=O)NNC(=O)C(C)(C)C)C[C@@H]1OC	759598387	ALDRKXSRBTYEDY-RYUDHWBXSA-N	313.442	1.363	50	20	DDGD	
O=C(NCCc1cccs1)NN=Cc1cnc2ncccn12	755669204	UPOLQGZEEIQTFX-UHFFFAOYSA-N	314.374	1.667	50	20	DDGD	
CC[C@H]1CC(=NNC(=O)COc2ccccc2C#N)CCO1	756822710	AIONNQNDEBYQMA-AWEZNQCLSA-N	301.346	1.998	50	20	DDGD	
CCOC(=O)CCCNC(=O)NNc1ccc(Cl)cn1	851932237	DCEUXLAAIIHCDK-UHFFFAOYSA-N	300.746	1.704	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C(C)(C)c1ccccn1	854388241	CPQZPMHQHBGJQN-UHFFFAOYSA-N	323.393	1.296	50	20	DDGD	
CCCNC(=O)NN=C(C)c1cccc(OCC(=O)N(C)C)c1	920987942	AMEUXZFXOACIPZ-UHFFFAOYSA-N	320.393	1.587	50	20	DDGD	
CCOCC(=O)NNC(=O)NC1CCC(OC(C)C)CC1	752699155	YAKOBBJIGXYNDR-UHFFFAOYSA-N	301.387	1.090	50	20	DDGD	
CCC(C#N)(CC)C(=O)NNC(=O)Cc1cn2ccccc2n1	859805212	ZKIGRAUQQSBERN-UHFFFAOYSA-N	313.361	1.354	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2[nH]c(C)nc2C)nc1C	857172800	BERKVANRPVCFBU-UHFFFAOYSA-N	318.337	1.059	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cccc(CN2CCCCC2)c1	854927500	JZNSOHIZBCTXJC-UHFFFAOYSA-N	320.462	1.753	50	20	DDGD	
COCCCNC(=O)NN=Cc1cc2ccccc2nc1O	920829828	LHEKWJKFULKZFN-UHFFFAOYSA-N	302.334	1.610	50	20	DDGD	
C[C@]1(CNCc2cnc3c(C#N)cnn3c2)C[C@H]1Br	857064970	HDBXLOBRGHCIEY-DGCLKSJQSA-N	320.194	1.864	50	20	DDGD	
Cc1ccncc1/C=C\C(=O)NNC(=O)OCC(F)(F)F	856022669	KOJIOQHEUBGNJU-IHWYPQMZSA-N	303.240	1.723	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cc2c([nH]1)CCCC2)C1CC1	855096709	XVZWMOABJWCTEQ-VIFPVBQESA-N	306.435	1.801	50	20	DDGD	
CCOC(=O)c1cnc(C)c(NC(=O)NNC(=O)CC2CC2)c1	757809812	DJBYVQRHHUIPAG-UHFFFAOYSA-N	320.349	1.520	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2ccc(C)cn2)cn1	753294860	XPWWBRGZIIQLKJ-UHFFFAOYSA-N	317.374	1.425	50	20	DDGD	
CN(C)C1CCC(NC(=O)NNC(=O)c2cccc(F)n2)CC1	852387326	RDZXFIDEFBOCKX-UHFFFAOYSA-N	323.372	1.038	50	20	DDGD	
CON(C)C(=O)CNC(=O)NNc1cc(F)cc(Cl)c1	854182791	SRLVCGWWTSIIKX-UHFFFAOYSA-N	304.709	1.125	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1nc2c(s1)CCC2	924585780	YSFYNSRPQVWIMB-UHFFFAOYSA-N	310.423	1.898	50	20	DDGD	
CC(C)n1ccnc1C=NNC(=O)CCNC(=O)OC(C)(C)C	853330553	PGQYBOIZGGJGLU-UHFFFAOYSA-N	323.397	1.829	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNc1cccc(C(=O)OC)c1C	855628569	ZWTNQUXTSZRPDQ-SNVBAGLBSA-N	307.350	1.139	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2c[nH]nc2C1)c1cccc(Cl)n1	857326006	OTZOLTMNFXGDNO-QMMMGPOBSA-N	319.752	1.024	50	20	DDGD	
O=C(C[C@@H]1CC(=O)N1)NNc1cc(F)ccc1Br	854940523	SSTLLGZUEZGEPV-ZETCQYMHSA-N	316.130	1.310	50	20	DDGD	
COC1(C(C)=NNC(=O)CCNC(=O)OC(C)(C)C)CCC1	853329984	IHRXHEHAXOVODW-UHFFFAOYSA-N	313.398	1.962	50	20	DDGD	
Cc1nnc(CC(=O)NNC(=O)Cc2cccc3ccccc23)o1	750830830	JMHIQEDZLVOBGB-UHFFFAOYSA-N	324.340	1.464	50	20	DDGD	
C[C@@H]1CC(=O)NCCN1C(=O)NC[C@]1(C)C[C@@H]1Br	856952747	DROBNHGSLLXVCG-PTRXPTGYSA-N	318.215	1.080	50	20	DDGD	
CCCn1ccc2ccc(NC(=O)NNC(=O)COC)cc21	756674273	OZNLTYIJHFITON-UHFFFAOYSA-N	304.350	1.850	50	20	DDGD	
CC[C@](C)(O)C(=O)NNC(=O)c1cccc(Br)c1	933659201	CBSXYUBZCYWHHQ-LBPRGKRZSA-N	315.167	1.371	50	20	DDGD	
C[C@H](CCCc1cccnc1)NC(=O)NNC(=O)c1cn[nH]c1	858533329	RVAJUQMVALRTLP-LLVKDONJSA-N	316.365	1.160	50	20	DDGD	
CCc1ccccc1OCCC(=O)NNC(=O)c1cc[nH]n1	855356079	LFSMETLKLXDHMX-UHFFFAOYSA-N	302.334	1.202	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H]1C[C@H]1c1cccnc1	854285737	HTHQLCFJQYNERO-QWHCGFSZSA-N	322.434	1.059	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H](C)Cc2cnn(C)c2)c1	858520220	QSKWOEYWEPIEDL-SNVBAGLBSA-N	321.406	1.365	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cccc(OCCN(C)C)c1	755927481	UFVZIJQDZQWUIH-UHFFFAOYSA-N	322.409	1.826	50	20	DDGD	
CCc1cc(C(=O)NNC(=S)N[C@H](C)C2CC2)c(C)nn1	759400687	CQGJIQVBIPGVJL-MRVPVSSYSA-N	307.423	1.255	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cccc(C#N)c1)C1CCC1	756524731	MQBJAKBIHXRNSO-UHFFFAOYSA-N	300.362	1.194	50	20	DDGD	
C[C@H](NNC(=O)c1ccccc1S(C)(=O)=O)C(F)(F)F	862306173	FTLXBVHKNOKVJG-ZETCQYMHSA-N	310.297	1.275	50	20	DDGD	
CC(=O)NCC1CCN(S(=O)(=O)CC(C)(C)CCl)CC1	866593919	XRNFZPMQWBYFCF-UHFFFAOYSA-N	324.874	1.429	50	20	DDGD	
CC(C)CN1CCN(S(=O)(=O)CC(C)(C)CCl)CC1=O	867130855	OWHNMSDRIIOBIA-UHFFFAOYSA-N	324.874	1.381	50	20	DDGD	
COc1cc(C)c(C(C)=NNC(=O)CS(C)(=O)=O)cc1C	863186988	TVQSQJVWGUBVCY-UHFFFAOYSA-N	312.391	1.197	50	20	DDGD	
Cc1ccc(C=NNC(=O)C2CCN(c3ncccn3)CC2)nc1	761809785	ORDPWHUIJRMPJA-UHFFFAOYSA-N	324.388	1.547	50	20	DDGD	
CC(C)C[C@@H](C(=O)NN[C@H](C)C(F)(F)F)N1CCCCC1=O	862310715	DNPJQRSREWFCFC-MNOVXSKESA-N	323.359	1.985	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(C)C)cc1N1CCOCC1	864491294	UCHBSRBWQUQXIK-UHFFFAOYSA-N	305.378	1.249	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@H]1CCc2cncn2C1	863098738	CLKGLIBHYDQBQA-ZETCQYMHSA-N	312.242	1.264	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H]1CCOC(=O)N1	862001598	YTMGUKYFRFKDDH-ZETCQYMHSA-N	313.745	1.195	50	20	DDGD	
CCc1nnc(O)c(C(=O)NNc2cccc(C)n2)c1CC	862522040	GMGJDJAKXQVCQL-UHFFFAOYSA-N	301.350	1.767	50	20	DDGD	
CC1CCN(C[C@@H](C)C(=O)NN=C2CCN3CCC[C@@H]23)CC1	765570728	VUYXEGBXLBMRJT-ZBFHGGJFSA-N	306.454	1.695	50	20	DDGD	
O=C(Cc1csc2nccn12)NNC(=O)c1ccccc1	764454329	YXZJWERCLZXWPA-UHFFFAOYSA-N	300.343	1.400	50	20	DDGD	
C[C@@H]1CCC[C@H](C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1	768360084	JZFIWJAURMZBDQ-GRYCIOLGSA-N	301.412	1.285	50	20	DDGD	
CC(C)(C(N)=O)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	767440500	LCNXHLZQULSERK-UHFFFAOYSA-N	318.160	1.266	50	20	DDGD	
Cc1ccc2occ(CC(=O)NNC(=O)[C@H]3CCO[C@@H]3C)c2c1	862095794	OYGQDUZMNSOHCJ-YPMHNXCESA-N	316.357	1.856	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@H](C)C(=O)NN[C@@H](C)C(F)(F)F	862313340	FRQPCNUGFMONII-XVKPBYJWSA-N	306.332	1.787	50	20	DDGD	
CCn1ncc(C(=O)NNc2ccc(C(F)(F)F)nn2)c1C	866952895	DOFOSWLLRUFEAX-UHFFFAOYSA-N	314.271	1.777	50	20	DDGD	
COC(=O)C(=O)NNC(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C	1116186684	FDEHQRCQRISZQP-WDEREUQCSA-N	313.398	1.342	50	20	DDGD	
O=C(CN1CCCCS1(=O)=O)NNc1ccccc1Cl	879251143	FXKZYYCEPYUUFI-UHFFFAOYSA-N	317.798	1.209	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	874956418	WUHSONREGLEXDF-AEJSXWLSSA-N	304.375	1.014	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1cccc(Cl)c1F	878004939	HEBAFHRJALLUDU-UHFFFAOYSA-N	319.720	1.295	50	20	DDGD	
Cc1cncc(NC(=O)C(=O)NNC(=O)c2ccccc2C)c1	763958112	OSRYZQPECCSFAU-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
COc1c(C)ccc(NC(=O)C(=O)NNC(=O)CC2CC2)c1C	764142577	RKLAEFZBYSQSBD-UHFFFAOYSA-N	319.361	1.198	50	20	DDGD	
CC(=O)Nc1ccc(C=NNC(=O)c2sc(N)nc2C)cc1	874105046	VSGFYWUHOGZBMY-UHFFFAOYSA-N	317.374	1.756	50	20	DDGD	
COC(=O)COCCNC(=O)NNc1ccc(C(C)C)cc1	875847542	RGEZIPBHXQFAQJ-UHFFFAOYSA-N	309.366	1.626	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C[C@@](C)(O)C2CC2)c1	873775472	HQNSZUCMDFTSBE-OAHLLOKOSA-N	307.419	1.864	50	20	DDGD	
CCc1ccc(NNC(=O)NC2CCN(CC(=O)O)CC2)cc1	874418767	IIKXKYSLBQLLSM-UHFFFAOYSA-N	320.393	1.424	50	20	DDGD	
CCCCn1cc(C(=O)NNC(=O)c2c[nH]nc2C)c(C)n1	771327347	OFAOMFPPMLMUDB-UHFFFAOYSA-N	304.354	1.098	50	20	DDGD	
CC(=O)c1cccc(C(=O)NNc2nncc(N)c2Cl)c1	1116293091	WMANYNZQICWRGU-UHFFFAOYSA-N	305.725	1.672	50	20	DDGD	
Cn1ccc(CC(=O)NNc2ccnc(Br)c2)n1	771562721	XJFFYOOHLLTYBA-UHFFFAOYSA-N	310.155	1.263	50	20	DDGD	
CC[C@H]1CN([C@H](CC)C(=O)NNC(=O)c2ccccc2)CCO1	773690373	LJLUQEYCXUYSEK-LSDHHAIUSA-N	319.405	1.337	50	20	DDGD	
Cc1cccc(NNC(=O)NCC(C)(C)N2CCOCC2)n1	874996780	NHTLDFUVGMLTMH-UHFFFAOYSA-N	307.398	1.127	50	20	DDGD	
CC[C@@H]1[C@@H](C)CCN1CC(=O)NNC(=O)c1cccc(C#N)c1	775782376	FUPLIUCWCSQQNQ-SWLSCSKDSA-N	314.389	1.440	50	20	DDGD	
N[C@H]1C[C@H](CNC(=O)NNC(=O)c2ccc(Cl)cc2F)C1	1119420456	SLYASLJEPOYCMX-XWEPSHTISA-N	314.748	1.160	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1ccc(C(C)(C)O)cc1	872401200	KMDLEJQSBQZGMK-UHFFFAOYSA-N	308.378	1.417	50	20	DDGD	
N#CC1=CCN(CC(=O)NCCOc2ccc(F)cc2)CC1	779590460	MQDRREMIJHVDKC-UHFFFAOYSA-N	303.337	1.476	50	20	DDGD	
COc1cccc(NC(=S)NNC(=O)[C@@H]2CCCCO2)c1	772219273	SGXJLRADRXEERO-LBPRGKRZSA-N	309.391	1.582	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)CS(C)(=O)=O)cc1C	872394379	TXNCYCOGWOBRRN-UHFFFAOYSA-N	312.391	1.279	50	20	DDGD	
C=C/C=C/CCNC(=O)NNC(=O)[C@H]1COc2ccccc2O1	883825241	IZBDWOKHACVERN-RDFMZFSFSA-N	317.345	1.289	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)C2CCOCC2)cc1F	880924580	GECGKWCBCOFOCE-UHFFFAOYSA-N	324.356	1.471	50	20	DDGD	
CC(C)(C)N1C[C@@H](CNS(=O)(=O)CCCCl)CC1=O	882414926	USFXIJACLXUTFM-SNVBAGLBSA-N	310.847	1.182	50	20	DDGD	
Cc1ccc(S(C)(=O)=O)cc1C(=O)NNc1ccccn1	777472445	KDVHRHLYIGQQMG-UHFFFAOYSA-N	305.359	1.550	50	20	DDGD	
N#CSCCCNC(=O)c1ccc(N2CCOC2=O)cc1	773593192	FFJUTPDIWZLIOM-UHFFFAOYSA-N	305.359	1.977	50	20	DDGD	
CCn1cc(C=NNC(=O)NCC(=O)OC)c2ccccc21	779815888	DDHIAWKPGXUGHZ-UHFFFAOYSA-N	302.334	1.467	50	20	DDGD	
CO[C@@H]1CCOC[C@H]1NC(=O)/C(C#N)=C\c1ccc(O)cc1	889190144	YKDIEADLKPMVTB-QMPFAZFSSA-N	302.330	1.219	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(C)C[C@@H]1CCN1C(=O)OC(C)(C)C	887296178	WRJVQERRXPONHV-YLSINNKHSA-N	323.393	1.898	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C1CCOCC1)n1cnc2ccccc21	883061154	KMJMIUPVYCBXNW-NSHDSACASA-N	316.361	1.171	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CC2CCSCC2)cc1O	882049380	RQVMMSUCSODEHL-UHFFFAOYSA-N	308.403	1.995	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2ccnc(Br)c2)[nH]1	771540337	JCIGXUXWOYWVKN-UHFFFAOYSA-N	306.123	1.801	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc(Br)cc1	779817848	WFMCIIBMXWIORR-UHFFFAOYSA-N	314.139	1.255	50	20	DDGD	
CN1C(=O)COc2cccc(NC(=O)NCC(Cl)Cl)c21	881258955	PDRHUDHKRSTEEP-UHFFFAOYSA-N	318.160	1.967	50	20	DDGD	
CC(C)C(C=NNC(=O)CNC(=O)c1cccnc1)C(C)C	789039401	ZQBYEGKCUPTRQG-UHFFFAOYSA-N	304.394	1.842	50	20	DDGD	
Cc1cccc2c(CC(=O)NNC(=O)C3CCOCC3)c[nH]c12	883063743	AVSKAJHGDKNOQU-UHFFFAOYSA-N	315.373	1.593	50	20	DDGD	
COc1ccc(NC(=O)NN=c2cc[nH]cc2)cc1NC(C)=O	782011790	DSDNCJFBNDLXAK-UHFFFAOYSA-N	315.333	1.619	50	20	DDGD	
N#CC1=CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1	780687980	SKEYWZIKHXFNQK-QGZVFWFLSA-N	310.401	1.976	50	20	DDGD	
CN(Cc1nnc2n1CCCCC2)S(=O)(=O)CCCCl	881782887	LOVRYABMIQAURE-UHFFFAOYSA-N	320.846	1.395	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)C(=O)Nc2cnn(CC#N)c2)c1	783358799	AUJGSGIKMILDMH-UHFFFAOYSA-N	312.333	1.105	50	20	DDGD	
COc1cccc2c1OC[C@H](NS(=O)(=O)CCCCl)C2	881858592	MPQCNIABIXDIDL-LLVKDONJSA-N	319.810	1.547	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1noc(-c2cccc(F)c2)n1	780712045	NPUDNLFVBSERQW-UHFFFAOYSA-N	307.285	1.182	50	20	DDGD	
N#Cc1ccc(NNC(=O)N[C@H]2CCN3CCC[C@@H]3C2)nc1	887754093	WLVVDWXBIUZJGP-QWHCGFSZSA-N	300.366	1.206	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)NNc1c(F)cc(F)cc1F	885150598	CRXBGNWBCRNECZ-UHFFFAOYSA-N	324.324	1.618	50	20	DDGD	
CC[C@@H](C)CC[C@@H](O)CC(=O)NNC(=S)NC(C)(C)C	899997285	ODUGPPZIVQLTBK-GHMZBOCLSA-N	303.472	1.858	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2ccc([N+](=O)[O-])cc2Cl)n[nH]1	783820071	CPEKNRKEVSNMNX-UHFFFAOYSA-N	321.724	1.973	50	20	DDGD	
CC(C)(C)[C@@H](O)C(=O)NNC(=O)NCc1ccc(Cl)cc1	787423309	JJSKNIWAVBWAGK-NSHDSACASA-N	313.785	1.577	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1ccc(N2CCOCC2)cc1	785463238	NXWWMADFCUTVJA-UHFFFAOYSA-N	305.378	1.134	50	20	DDGD	
CN(C)C(=O)C1CCC(C(=O)NNc2ccc(C#N)cn2)CC1	899661383	SLQQPACXRQKTBF-UHFFFAOYSA-N	315.377	1.291	50	20	DDGD	
COc1ccc(NNC(=O)COc2ccccc2OC)nc1	781535707	AWDOXWBIGVOBSI-UHFFFAOYSA-N	303.318	1.621	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c1	783505810	JTEIWNWFCZELAF-ZIBATOQPSA-N	318.373	1.901	50	20	DDGD	
C=CCNC(=S)NNC(=O)C1(Cc2ccccc2F)CC1	798306486	JEGBFOALMRYKAS-UHFFFAOYSA-N	307.394	1.830	50	20	DDGD	
CC(=NNC(=O)c1ccccn1)c1ccc(C(=O)N(C)C)cc1	792871441	WHNLMKBGWOVWLE-UHFFFAOYSA-N	310.357	1.937	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1cc(C2CC2)cnc1Cl	793447000	JUOJODPXVBJMLT-UHFFFAOYSA-N	319.752	1.339	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1cccc2c1CCO2	797005897	VOVPHFBAZUHRCJ-UHFFFAOYSA-N	319.361	1.144	50	20	DDGD	
C[C@@H](SCC(=O)NNC(=O)C(C)(C)C)C(=O)OC(C)(C)C	794862655	BSEACWZUWMIGFF-SECBINFHSA-N	318.439	1.643	50	20	DDGD	
CC(C)(C)OC(=O)CCSCC(=O)NNC(=O)C(C)(C)C	799307028	CNOCVZXRPIFQLG-UHFFFAOYSA-N	318.439	1.645	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2	791223553	FVKLAXFULBQILT-UHFFFAOYSA-N	316.273	1.784	50	20	DDGD	
CCS[C@H]1CCC[C@H]1NCC(=O)NNC(=O)C(C)(C)C	794604369	LRSYYGBOTZDFAB-MNOVXSKESA-N	301.456	1.444	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)o1	794194969	AYDBFCXMTKCUBC-UHFFFAOYSA-N	303.705	1.808	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1c(F)cccc1F	792378430	SCIDMLKRSYNERZ-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2coc(C3CCC3)n2)n1	794074755	FSNAJKXYDCXFGQ-UHFFFAOYSA-N	300.318	1.720	50	20	DDGD	
COc1cccc(C2=NO[C@H](C(=O)NNc3ncccn3)C2)c1	792047962	ZTVRPKSLTNBDIA-ZDUSSCGKSA-N	313.317	1.122	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)NCCc1cccs1	793208193	UGTNUOUXDCGWPQ-GHMZBOCLSA-N	323.418	1.626	50	20	DDGD	
COC(=O)C[C@@H]1CCC(=NNC(=O)Cc2ccncc2)[C@H]1C	794515226	YZYOXRYNVDSEOX-AAEUAGOBSA-N	303.362	1.706	50	20	DDGD	
COC(=O)C(=O)NN=Cc1cc(C(F)(F)F)ccc1Cl	1319456819	FHUNWBKZYHRYMB-UHFFFAOYSA-N	308.643	1.982	50	20	DDGD	
CC1CC(NC(=O)NNC(=O)c2cncn2-c2ccccc2)C1	1319076562	HDMGKOGKOCHQBZ-UHFFFAOYSA-N	313.361	1.615	50	20	DDGD	
Cc1ncccc1CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	1321806342	MYFSGQBXJGZBNX-UHFFFAOYSA-N	314.301	1.302	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc(F)cc2cccnc12	1323237793	JDTVEXCQUUFYKD-UHFFFAOYSA-N	306.366	1.891	50	20	DDGD	
CCOC(=O)C[C@H]1CCCN1C(=O)/C(C#N)=C/c1cnn(C)c1	1325180646	FSVWWTWUGIEWOA-WTWVRAIASA-N	316.361	1.271	50	20	DDGD	
Cc1nnc(O)c(CNC(=O)NNc2ccc(Cl)nc2)c1C	1322211971	ZBZBSIAXWQTUFT-UHFFFAOYSA-N	322.756	1.674	50	20	DDGD	
COc1nccc(NC(=O)NNC(=O)c2ccccc2Cl)n1	1321287737	CBHVXRLHGBMFFA-UHFFFAOYSA-N	321.724	1.605	50	20	DDGD	
C[C@H](NC(=O)CCl)c1ccc(OCC(=O)NC2CC2)cc1	1320466703	NGTVOWHVMSPBKL-JTQLQIEISA-N	310.781	1.760	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NNc1nncc(N)c1Cl	1320803626	MXZVLNBDCOVLIE-YIZRAAEISA-N	312.805	1.417	50	20	DDGD	
O=C(NN=Cc1ccc(-n2cncn2)c(F)c1)C1CCOCC1	1333216695	ZVPWBNDIJITEOL-UHFFFAOYSA-N	317.324	1.283	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1	1333771091	QMJZUBNAZJDZSS-UONOGXRCSA-N	320.462	1.760	50	20	DDGD	
CCN(CCOC)c1nnnn1C[C@]1(C)C[C@@H]1Br	1337712902	AWIJOJFQHJZAJX-ONGXEEELSA-N	318.219	1.319	50	20	DDGD	
Cc1ccc(O)c2c1[C@@H](C)CC2=NNC(=O)CN1CCCC1=O	1337122173	LBWXIWSSNRYIRY-NSHDSACASA-N	315.373	1.651	50	20	DDGD	
C[C@@H](OC1CCCCC1)C(=O)NNc1cc(Cl)nc(N)n1	1342320505	PJFDJNJMQIFPOW-MRVPVSSYSA-N	313.789	1.893	50	20	DDGD	
COC(=O)C(=O)NN=Cc1c(F)ccc(Br)c1F	1344580045	NPNJWCFUQAMRNA-UHFFFAOYSA-N	321.077	1.350	50	20	DDGD	
CCN(CC)CC[C@@H](C)NC(=O)NNc1ccc(OC)cn1	1343576684	NEPDGKFDJUMOGT-GFCCVEGCSA-N	309.414	1.837	50	20	DDGD	
COC1CC(C(=O)NNC(=O)CSc2ccc(C)cc2)C1	1261787533	SKKYAFMFWZWSOE-UHFFFAOYSA-N	308.403	1.660	50	20	DDGD	
C[C@@H]1CCCN1C(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1351192578	RDACTFVGWXGNAL-LNLATYFQSA-N	303.200	1.287	50	20	DDGD	
O=C(NC[C@@H]1C[C@H]1C1CCCCC1)NNC(=O)C1CCNCC1	1357765288	TYBVJJFEHGQHOH-GJZGRUSLSA-N	322.453	1.533	50	20	DDGD	
C[C@H]1CN2CCN1C[C@@H]2C(=O)NNc1ccc(Cl)c(F)c1	1528046478	NGWFPQYTYAXZBL-TVQRCGJNSA-N	312.776	1.311	50	20	DDGD	
O=C(O)Cc1ccccc1OS(=O)(=O)CBr	1606320451	BTWXAYITISKHTP-UHFFFAOYSA-N	309.137	1.375	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cccc(O)c2O)cc1F	1602383168	VUDPTKJTIQWUMO-UHFFFAOYSA-N	306.249	1.692	50	20	DDGD	
O=C(CCCCN1CCCC1)NNc1ccc(C(=O)O)cn1	1608302806	LUIRPWRBLLFEKP-UHFFFAOYSA-N	306.366	1.489	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1604129014	UMDNQORTHAETDS-ZDUSSCGKSA-N	324.772	1.514	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)cc1Cl	1602384774	KOPGKZIPJKNPCN-YUSALJHKSA-N	310.737	1.906	50	20	DDGD	
COC1CCC(CC(=O)NNc2ncccc2C(=O)O)CC1	1604498454	HUDPHKNJDJCDLU-UHFFFAOYSA-N	307.350	1.818	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)c(F)c1)c1ccnc(C2CC2)n1	1601557247	SIILVXHBEUXJSI-UHFFFAOYSA-N	316.292	1.948	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@@H]1C(=O)NN=Cc1ccncc1	1549313830	GJRRGEOQTNAOHL-ZFWWWQNUSA-N	313.361	1.433	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1sc(C)nc1C	1549319986	XOQLRERKLIDMBF-CHWSQXEVSA-N	322.434	1.463	50	20	DDGD	
CC(C)(C)O[C@H]1CS(=O)(=O)C[C@@H]1I	158049854	BVBMEOFHWSHQIQ-BQBZGAKWSA-N	318.176	1.402	50	20	DDGD	
NC(=O)CC[C@@H](N)C(=O)NN=C(c1ccccc1)c1ccccc1	1574255440	WOBZWMAFTSFREV-OAHLLOKOSA-N	324.384	1.148	50	20	DDGD	
CC(C)OC[C@H](N)C(=O)NNc1cc(C(F)(F)F)ccn1	1575791161	UNAMVBNKWGYBEK-VIFPVBQESA-N	306.288	1.296	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1	1581202241	NNJXOSTXORJYET-UHFFFAOYSA-N	317.740	1.914	50	20	DDGD	
O=C(NNc1ccc(F)cc1)c1cc(-c2nn[nH]n2)ccc1F	1582562152	JYGLLGVWTDUMGU-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)/C=C/c1ccccc1-c1nn[nH]n1	1589084098	BTWMKCBHHFTBNF-CMDGGOBGSA-N	314.349	1.073	50	20	DDGD	
CC(C)(C)NCC(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1842902908	WGZWJYAIVPSHQD-NSHDSACASA-N	319.808	1.112	50	20	DDGD	
CC[C@@H](C)[C@H](C)NC(=O)NNc1cccc(-c2nn[nH]n2)c1	1590398518	CEPAPQJHTIWEPU-ZJUUUORDSA-N	303.370	1.927	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc2oc(C(=O)O)cc2c1	1599232158	LRLGPJQXLDPIDB-UHFFFAOYSA-N	307.306	1.746	50	20	DDGD	
Cc1noc(C(C)C)c1C(=O)NNc1ncccc1C(=O)O	1594495615	CWOAQQIOWPXOOP-UHFFFAOYSA-N	304.306	1.957	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNC(=O)[C@H]2CCCCO2)c1	1594288595	ZCDWKYZUFVITSS-GFCCVEGCSA-N	306.318	1.023	50	20	DDGD	
CC1(C)CO[C@@H](CC(=O)NNc2cccc(-c3nn[nH]n3)c2)C1	1590113786	ZBASNKWLARFAOC-LBPRGKRZSA-N	316.365	1.515	50	20	DDGD	
Cc1[nH]c(C(=O)NNc2ncc(Cl)cn2)c(C)c1C(=O)O	1599952971	CMWKWZJJEHZIAR-UHFFFAOYSA-N	309.713	1.530	50	20	DDGD	
CN(C)C(=O)NN=Cc1ccc(C(=O)O)cc1Br	1598139927	IOKFEUBSOMKANC-UHFFFAOYSA-N	314.139	1.752	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=Cc1cccc(O[C@@H](C)C(=O)O)c1	1776102812	ZIDAIRJLLYMXSP-ZLKJLUDKSA-N	320.345	1.414	50	20	DDGD	
CN(C)c1ccc([C@H](CNS(=O)(=O)CCl)N(C)C)cc1	5098912	VMYGROCQLCNBDY-ZDUSSCGKSA-N	319.858	1.471	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCc2ccccc2O)cc1	16509918	HJJXSNXVOPNOSI-UHFFFAOYSA-N	314.341	1.795	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1	162230196	YJIXCFPYFQWBHO-UHFFFAOYSA-N	320.393	1.265	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C[C@@H](C)SC	162805669	JXVIKPLZBWACOZ-LLVKDONJSA-N	310.419	1.917	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccn(C2CCCC2)n1	152474917	IKVSRQLVDOWSHU-UHFFFAOYSA-N	313.361	1.397	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccn(C3CCCC3)n2)c1	152411312	WACWDDCNFACPSY-UHFFFAOYSA-N	323.356	1.945	50	20	DDGD	
COCc1ccccc1C(=O)NNc1ncccc1[N+](=O)[O-]	153643933	KTHYJJHYTJWCLF-UHFFFAOYSA-N	302.290	1.893	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@H]2CCN(CC(C)C)C2)nc1	157553083	UCTOAURUTMEYCF-CYBMUJFWSA-N	321.425	1.694	50	20	DDGD	
NC(=O)NC1(C(=O)NNc2ccc(Cl)cc2Cl)CC1	159420653	IYFDDZFKAGQSTE-UHFFFAOYSA-N	303.149	1.637	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc(OCC#N)c(OC)c1	208586894	DMVCZPOVNKWLLV-LCYFTJDESA-N	315.329	1.267	50	20	DDGD	
CN(CCOc1ccccc1)S(=O)(=O)CBr	126631545	HJWNVIMCMHNXFX-UHFFFAOYSA-N	308.197	1.679	50	20	DDGD	
O=S(=O)(NCCOCCF)c1ccc(CCCl)cc1	702585690	RLAXUNLFMXEFSQ-UHFFFAOYSA-N	309.790	1.732	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21	912834956	ACITZBLONZKRCI-FPMFFAJLSA-N	302.330	1.511	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1	176710923	IGPSJJJHGSOAOO-LBPRGKRZSA-N	302.378	1.624	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CCC2CCOCC2)cc1	175142503	YGHDXXQSDXPEFB-UHFFFAOYSA-N	319.405	1.761	50	20	DDGD	
COCCC(=O)NNC(=O)c1ccc(Br)s1	171352575	PRMKNSSARSRKNS-UHFFFAOYSA-N	307.169	1.308	50	20	DDGD	
C[C@H](CNC(=O)NNc1ncccn1)Oc1ccccc1F	173262493	GQBHVYCJSSUHII-SNVBAGLBSA-N	305.313	1.709	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2[nH]c(C)cc2C)cc1	177825864	YLVVGPFENFJSRN-UHFFFAOYSA-N	300.362	1.813	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1	57398706	ODNHAXJGZKGJOL-SNVBAGLBSA-N	314.769	1.543	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)C#Cc1ccccc1	175949164	HZAGVKZUUVAZEW-UHFFFAOYSA-N	318.336	1.455	50	20	DDGD	
C[C@H](Oc1cccc(F)c1)C(=O)NNC(=O)Cc1cccnc1	103423986	WODBKQPAVFVUFC-NSHDSACASA-N	317.320	1.378	50	20	DDGD	
CCCN1CCC(NC(=O)NNC(=O)c2ccccc2)CC1	107327406	VMYCLHHFDAUPIF-UHFFFAOYSA-N	304.394	1.505	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2ccc3[nH]ncc3c2)c1	110042242	FDDMPRUMOKZDPE-UHFFFAOYSA-N	323.356	1.704	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1c(F)c(F)cc(F)c1F	177769334	RDZGFUYAXLDHNB-UHFFFAOYSA-N	323.246	1.224	50	20	DDGD	
O=C(Cc1cc(F)ccc1F)NNC(=O)c1ccccc1O	175068099	VTOZXANRNNIGJU-UHFFFAOYSA-N	306.268	1.674	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NNC(=O)[C@H]2C[C@H]2C)[nH]n1	170969143	VSFOZFVPWPLVQY-KOLCDFICSA-N	314.345	1.502	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CC(C)(C)c1ccccc1	110761961	URDRVYCWGTZOGS-UHFFFAOYSA-N	300.362	1.847	50	20	DDGD	
Cc1nn(C)cc1C(=O)NNC(=O)c1cccc(OC(F)F)c1	113048923	SDLOPILMGBGQOW-UHFFFAOYSA-N	324.287	1.405	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)NC1CCN(C2CCCC2)CC1	176020118	MYNOUXBZYNCWGI-UHFFFAOYSA-N	319.409	1.366	50	20	DDGD	
CN(C)C(=O)NNC(=O)CCc1ccc(OC(F)(F)F)cc1	170757733	ZILTXRVKWMRTGI-UHFFFAOYSA-N	319.283	1.820	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cc(Cl)cc2cccnc12	113425888	QGCDIZKBXRSCAG-UHFFFAOYSA-N	306.753	1.211	50	20	DDGD	
O=C(NNC(=O)c1cc(Br)c[nH]1)c1ccncc1	24122881	FLXGSJNDEGKYRI-UHFFFAOYSA-N	309.123	1.247	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCSCc1ccccn1	64882814	CMUAKUBEOOYVAE-UHFFFAOYSA-N	310.423	1.835	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1csc(CC(C)C)n1	110759271	XMYXFAYKBFGFOH-UHFFFAOYSA-N	307.379	1.448	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccc[nH]2)C1(CC)CC	176670391	PVBMRBWOCIYQRN-OLZOCXBDSA-N	322.409	1.943	50	20	DDGD	
CN(CCS(C)(=O)=O)/C(=C/C#N)c1ccc([N+](=O)[O-])cc1	177112539	SJFNNGRQIXNZHK-NTUHNPAUSA-N	309.347	1.436	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)C[C@@H]1CCC[C@@H]1O	305287039	CZPFUPBWLVBJIR-STQMWFEESA-N	313.829	1.972	50	20	DDGD	
CC(C)N(C)CC(=O)NNC(=O)c1cc2ccccc2cc1O	127384023	ZCGLZZSRYDJXBP-UHFFFAOYSA-N	315.373	1.647	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNc2ccc(OC)cn2)cc1	124307641	BIFJARFZZWELEN-UHFFFAOYSA-N	314.345	1.734	50	20	DDGD	
CCC(CC)n1nccc1C(=O)NNC(=O)c1cnn(C)c1	128726896	CVTVOHQDJZFTBV-UHFFFAOYSA-N	304.354	1.053	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@@H]2CC=CCC2)c1	77641975	ZXQZVYPREJLVIJ-CYBMUJFWSA-N	303.362	1.813	50	20	DDGD	
CC[C@@H](C)[C@@H](C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	182348914	LBELQVOADZGLTH-GYSYKLTISA-N	306.362	1.656	50	20	DDGD	
CNC(=O)CCCC(=O)N/N=c1/sc2ccccc2n1C	183361535	CNUNIZJIPPNWMF-SAPNQHFASA-N	306.391	1.088	50	20	DDGD	
Cc1cc(NNC(=O)CCc2c(C)nn(C)c2C)nc(C)n1	129007486	QVCIJIQFVXYZTP-UHFFFAOYSA-N	302.382	1.520	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1ccc(-c2ccccc2)[nH]1	186155331	CIJBTXIZAZJVPY-UHFFFAOYSA-N	309.329	1.409	50	20	DDGD	
C[C@H](Cc1cccc(F)c1)C(=O)NNC(=O)c1cccn1C	70782745	QTFRVAVROHOUOF-LLVKDONJSA-N	303.337	1.804	50	20	DDGD	
COc1cccc(NNC(=O)NCc2nccn2C(F)F)n1	181434195	VVQOPBLQWRLPQH-UHFFFAOYSA-N	312.280	1.508	50	20	DDGD	
CCCC(O)(CCC)CC(=O)NNc1cc(Cl)nc(N)n1	182792842	FQNSLEYNTBVCRV-UHFFFAOYSA-N	315.805	1.877	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)Cc2ccc(F)cc2)nc1	184270548	UANUMAUIPGWVEH-UHFFFAOYSA-N	302.309	1.925	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(C(F)(F)F)nc1	129658221	PHQZVCRLHNJSCZ-UHFFFAOYSA-N	304.272	1.845	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2cccc(F)c2)c(F)c1	120952553	HNGUAFKJYOBAFK-UHFFFAOYSA-N	316.267	1.918	50	20	DDGD	
CC(C)OCCC(=O)NNC(=O)c1cc(Cl)ccc1O	78559647	DTXXMZBLIJEZOD-UHFFFAOYSA-N	300.742	1.622	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2O)cc(C#N)n1C	187378955	UAPLSRCIWKADJY-HJEFBLDRSA-N	312.373	1.532	50	20	DDGD	
CCN1CCO[C@H](C(=O)NNc2ccc(C#N)c(Cl)c2)C1	182353083	JPEZVWIZGHVTFQ-ZDUSSCGKSA-N	308.769	1.375	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C1(C(=O)OC)CC1)c1ccccc1	131589021	FOZLUKZEKYOAHM-LBPRGKRZSA-N	304.346	1.281	50	20	DDGD	
CC[C@@H]1CCC[C@H]1NC(=O)NNC(=O)Cn1nc(C)cc1C	132132211	JDSVKEZJJZXHQW-CHWSQXEVSA-N	307.398	1.409	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Cc1c[nH]c2c(C)cccc12	133133577	ZKSJBFOBMMZPOR-UHFFFAOYSA-N	311.345	1.512	50	20	DDGD	
CCC[C@H](CC)NC(=O)NNc1ccc(-n2cccn2)nn1	195396712	PSQUYPBJVDBZEY-NSHDSACASA-N	303.370	1.867	50	20	DDGD	
COc1cccc(CC(=O)NNc2nc3ccccc3c(=O)[nH]2)c1	137219658	AZZWZKYJGAOMQJ-UHFFFAOYSA-N	324.340	1.618	50	20	DDGD	
COC1(C)CN(S(=O)(=O)c2ccc(CCCl)cc2)C1	382935710	PDTITMIURQWBBK-UHFFFAOYSA-N	303.811	1.877	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)c2cccc3ncccc23)O1	268198228	TVGPIJVTLOHRTD-XHDPSFHLSA-N	313.357	1.953	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cccc(OC)c2OC)n1	266924041	LZNOTJOCLNYFHT-UHFFFAOYSA-N	318.333	1.568	50	20	DDGD	
CC(=O)N1CCC[C@@H](C(=O)NNc2cc(Cl)nc(C)n2)C1	267103648	AKYIUENTJFJBJI-SNVBAGLBSA-N	311.773	1.140	50	20	DDGD	
CCN(CC)[C@H]1CCN(C(=O)NNC(=O)c2ccccc2C)C1	266549542	ICWTWOYDZXSVSF-AWEZNQCLSA-N	318.421	1.766	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cc(C)n(C)c1C	264546543	VBDBEEXOWOBZGN-UHFFFAOYSA-N	301.346	1.725	50	20	DDGD	
N#CC1(C(=O)NNC(=O)COc2ccccc2O)CCCC1	264610645	ZMDXDGKZKJEREG-UHFFFAOYSA-N	303.318	1.002	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2cnc3n2CCCC3)c1	367221169	FAANMYKXNRKPFK-UHFFFAOYSA-N	316.752	1.896	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)c2c[nH]c3ccccc23)CCO1	272078062	MIPLAQFLVUKMIH-GHMZBOCLSA-N	301.346	1.744	50	20	DDGD	
COCC[C@H](NC(=O)NNc1nccc(OC)n1)c1ccco1	272713459	CZIDHJBMNCZYEW-JTQLQIEISA-N	321.337	1.482	50	20	DDGD	
CC(C)Cn1cc(NC(=O)NNC(=O)c2cccn2C)cn1	273475288	KMOAFDJDFMKEQM-UHFFFAOYSA-N	304.354	1.344	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNC(=O)NC1CCCC1	276797675	JWCNIRVVJUOVMD-UHFFFAOYSA-N	306.366	1.675	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccsc1Cl	275522575	KKOYMGPFJUPSRS-ZETCQYMHSA-N	321.786	1.606	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H]1CCc2[nH]ncc2C1	270440637	JPWCHEXASLJYCP-LLVKDONJSA-N	313.361	1.676	50	20	DDGD	
C[C@@H](CO)CCCNC(=O)NNC(=O)C(C)(C)c1ccccc1	270497441	JYGBXRHEFQSKPU-CYBMUJFWSA-N	321.421	1.703	50	20	DDGD	
Cc1ccc(CCC(=O)NCC(=O)NCC(Cl)Cl)cc1	288219994	MNDKZMSCDHQTLK-UHFFFAOYSA-N	317.216	1.964	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)C1(O)Cc2ccccc2C1	376419125	DOBOCFVOGVZTBQ-UHFFFAOYSA-N	324.384	1.717	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)c1cc(C2CC2)no1	282236520	FCKXIKKEMDYZAO-UHFFFAOYSA-N	317.301	1.098	50	20	DDGD	
COCCC(=O)NNC(=O)Nc1cc(OC)ccc1Cl	283695568	PUWGFZLNMXYRGG-UHFFFAOYSA-N	301.730	1.538	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H]1CCCN(c2ccccc2)C1=O	292711971	RNTOQXDTHOUJTA-ZDUSSCGKSA-N	317.389	1.623	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2cccnc2F)c1	806293496	SMQKXBORCHLLTN-UHFFFAOYSA-N	319.292	1.313	50	20	DDGD	
NC(=O)NNc1nc(CS(=O)(=O)c2ccccc2)cs1	800720451	HKYAMPJECSKQOY-UHFFFAOYSA-N	312.376	1.112	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1ccnc(NC(=O)C2CC2)c1	804774358	JBVVQCOCARPCEA-UHFFFAOYSA-N	315.308	1.721	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)Nc1ccc(OC)cc1	802054819	RUTDRMXWUWCPSZ-UHFFFAOYSA-N	309.366	1.911	50	20	DDGD	
O=C(NNC(=O)c1cc[n+]([O-])cc1)Nc1cc(F)cc(F)c1	802000797	RGHSPQWZSNBRIF-UHFFFAOYSA-N	308.244	1.065	50	20	DDGD	
O=C(NNc1ncncc1F)c1cc2c(nc1O)CCCCC2	294199333	XRQJORSXRNVXHJ-UHFFFAOYSA-N	317.324	1.742	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(COCCOC)cc1	291884211	JIKWKVXEXOTSQQ-UHFFFAOYSA-N	309.366	1.156	50	20	DDGD	
COc1cccc(NNC(=O)c2coc3c2C(=O)CCC3)n1	296903196	ZFDIFDYKVVTPLR-UHFFFAOYSA-N	301.302	1.959	50	20	DDGD	
Cc1nc(CC(=O)NNc2ccc3c(=O)[nH]ccc3c2)cs1	803438191	HGUULLKLGGXMTO-UHFFFAOYSA-N	314.370	1.979	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CSCCS1)c1ccccc1F	298074118	QZAVFECYASFPOS-JTQLQIEISA-N	300.380	1.435	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cnc(C(F)(F)F)c(C#N)c1	293004645	HQCMQIGBJVLTGO-UHFFFAOYSA-N	314.267	1.779	50	20	DDGD	
O=C(NCc1cccc([N+](=O)[O-])c1)NNc1ncccc1F	805010784	LZYVFNWUQBSVPI-UHFFFAOYSA-N	305.269	1.955	50	20	DDGD	
O=C(CCl)NCCCN1CCN(Cc2ccccc2)CC1	393766016	BXKOJMJINKISOW-UHFFFAOYSA-N	309.841	1.549	50	20	DDGD	
CC(=NNC(=O)CCc1ccccc1O)c1cn(C)c(C)n1	800812269	ASFJWFKWQLITTN-UHFFFAOYSA-N	300.362	1.907	50	20	DDGD	
CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)NNC(=O)CC(C)C)[C@H]2C1	808358032	VZBQEGCHYKDUEG-MELADBBJSA-N	324.425	1.010	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1c[nH]nc1C(C)(C)C	294411556	DYTRMULIYKDPFW-UHFFFAOYSA-N	315.468	1.179	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cc(Br)cnc1Cl	299626661	ILNSQPAJDQJGPN-UHFFFAOYSA-N	318.558	1.669	50	20	DDGD	
C[C@@H](Oc1cccc(F)c1)C(=O)NNC(=O)N=c1cc[nH]cc1	802031699	KPFRPXHDRSRIFS-SNVBAGLBSA-N	318.308	1.263	50	20	DDGD	
Cn1nnc2c1C[C@@H](C(=O)NNc1ccc(Cl)c(F)c1)CC2	290317406	KONVPYBGVWAGLE-QMMMGPOBSA-N	323.759	1.856	50	20	DDGD	
CSSCCNC(=O)NC[C@@H](O)COc1ccccc1	807228676	WQXDMQSZUSVPCI-LLVKDONJSA-N	316.448	1.737	50	20	DDGD	
Cn1ccc(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)cc1=O	802002173	HLRGQZVGRPAIFP-UHFFFAOYSA-N	322.271	1.130	50	20	DDGD	
C=C[C@@H](C)NC(=O)/C(C#N)=C\c1cc(-c2nn[nH]n2)n(C)c1C	819729240	FSUSJIYRVLQADJ-DKBJHAQFSA-N	311.349	1.111	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=O)c2ccc3c(c2)OCO3)o1	814203675	JDPPQRMUQCDJFS-UHFFFAOYSA-N	317.301	1.349	50	20	DDGD	
CN(C)c1cc(NC(=O)NNc2c(F)cccc2F)ncn1	810222985	AZUAUQQCSKKLPR-UHFFFAOYSA-N	308.292	1.969	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccccc2[N+](=O)[O-])[nH]1	814192783	CCUBGTNEEPKIEY-UHFFFAOYSA-N	304.262	1.466	50	20	DDGD	
C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CCCCC12CCCC2	814835649	XMBNOFXTXYSESN-LLVKDONJSA-N	315.439	1.531	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1	819745000	LYNMIWLVYQOWBQ-HNNXBMFYSA-N	323.412	1.647	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1ccc(N2CCOCC2)cc1	728785874	SULCKDKVPDLPDA-UHFFFAOYSA-N	324.384	1.611	50	20	DDGD	
COCCC(COC)=NNC(=O)[C@H](C)Oc1ccccc1F	812224630	GNYHCSBFSUSMLQ-NSHDSACASA-N	312.341	1.748	50	20	DDGD	
CCn1cnc(C(=O)NNC(=O)NCCc2cccs2)c1	823810020	FCFIHVACTSSXKE-UHFFFAOYSA-N	307.379	1.151	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@@H](c2cccc(F)c2)C1	827689640	DLDCIUNUJFFJAG-CYBMUJFWSA-N	307.369	1.418	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC(C=NNC(=O)C(C)(C)O)CC1	492439916	WLYKCHCCAWPSPZ-UHFFFAOYSA-N	313.398	1.506	50	20	DDGD	
C[C@H](O)[C@H]1CCCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)C1	490876592	KITHKRXDIRZAOO-YJCJMUBCSA-N	300.358	1.919	50	20	DDGD	
O=C(NN=Cc1cnn(-c2ccc(F)cc2)c1)N1CCOCC1	728174653	XOZPDXKYJWYXCT-UHFFFAOYSA-N	317.324	1.387	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCCN(CC)CCC(F)(F)F	491175107	JRZBGEYNWOVDFW-KHPPLWFESA-N	307.316	1.821	50	20	DDGD	
CO[C@H](CS(=O)(=O)NNC(=O)C1CCC1)c1ccccc1	829848019	PVNSNEFYZYQIOB-CYBMUJFWSA-N	312.391	1.125	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2cc(-c3nn[nH]n3)cn2C)c1	822240200	WOWBMCZWTYYVQA-UHFFFAOYSA-N	315.312	1.410	50	20	DDGD	
CC(C)[C@@H]1CN(C(=O)/C(C#N)=C\c2cnn(C)c2)CCS1	491102247	HHCAKUIJXQVTKD-XMRSSTEGSA-N	304.419	1.927	50	20	DDGD	
O=C(NNC(=S)NC1CCOCC1)c1c[nH]c2ccccc12	727780504	OHTNMTUUGJDULJ-UHFFFAOYSA-N	318.402	1.456	50	20	DDGD	
Cc1cc(NNC(=O)C2CN(C(=O)OC(C)(C)C)C2)ncn1	495176435	VHUACECVGAIWAQ-UHFFFAOYSA-N	307.354	1.095	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1cc2ccccc2o1	825738293	YZUCDCLMNNUUES-GXFFZTMASA-N	317.345	1.688	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCC(C)(C)CN2CCCC2)cn1	491009800	KVDLAHUCKFTWNE-OVCLIPMQSA-N	315.421	1.565	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccccc1OCC(C)C	495367358	PEEDXHQCPBZMRJ-UHFFFAOYSA-N	323.349	1.437	50	20	DDGD	
C#C[C@H](CC)NC(=O)NNC(=O)c1ccc(OC)c(OC)c1	491285660	DVCUMADQDNGBIU-LLVKDONJSA-N	305.334	1.060	50	20	DDGD	
Cc1cccc(CN(C(=O)c2cccc(B(O)O)c2)C2CC2)c1	584928419	ROTVCTKRQFIETO-UHFFFAOYSA-N	309.174	1.480	50	20	DDGD	
CCCO[C@H](C(=O)NN(C)[C@@H](C)CO)c1ccc(F)cc1C	823384705	RSBRVKFRXYLOCR-WFASDCNBSA-N	312.385	1.946	50	20	DDGD	
CC(C)c1nncn1CCNC(=O)[C@@]1(C)C[C@@H]1Br	906745124	GOBKCMUNPUYDSQ-CABZTGNLSA-N	315.215	1.691	50	20	DDGD	
O=C(N[C@@H](c1cccs1)C1CC1)c1cccc(B(O)O)c1	584927442	CSHURINHEUQAEQ-CQSZACIVSA-N	301.176	1.309	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1	823965504	NYUIKLNMBLZSPK-GDBMZVCRSA-N	305.422	1.242	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cccc(CS(C)(=O)=O)c1C	490754424	OTBLOIUUEOCATJ-UKTHLTGXSA-N	322.386	1.922	50	20	DDGD	
CCc1noc(COCC(=O)NNc2cc(F)ccc2C)n1	824849477	KGKRKMOSIHLMRC-UHFFFAOYSA-N	308.313	1.739	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@@H]1CCCc2nn[nH]c21	825090532	XHSCIESOHHQTGE-GFCCVEGCSA-N	313.361	1.005	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C	826891951	BCGQMMXJPFAOST-DGAVXFQQSA-N	311.426	1.958	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@@H]1[C@@H]1CCCOC1)c1ccccc1	825582712	FFHNKLUDCJWYCD-HUUCEWRRSA-N	317.389	1.932	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H](C)c2ncc[nH]2)cc(C#N)n1C	820267410	BSHMCWQQOPDCBH-KUKWCLJQSA-N	308.345	1.713	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCCCOC(F)F)cc(C#N)n1C	490941019	KCCMOYNVASXKHA-SDQBBNPISA-N	322.315	1.858	50	20	DDGD	
COc1ccc2cc(C(=O)N3CC[C@H](B(O)O)C3)sc2c1	585067102	PLPKTHNFSPUUOC-JTQLQIEISA-N	305.164	1.599	50	20	DDGD	
CC(C)N(C)c1ccccc1CNCc1ccc(B(O)O)o1	585037240	UWFDRLRVDQBONC-UHFFFAOYSA-N	302.183	1.094	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc(Cl)cc1	901966624	QFAHYMINUZJEFK-UHFFFAOYSA-N	300.767	1.453	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC2CCN(C)CC2)c1F	837349322	JEAOJKDIVDTWJP-UHFFFAOYSA-N	324.356	1.333	50	20	DDGD	
CC[C@@H](C)N(CC(=O)OC)C(=O)/C(C#N)=C\c1cnn(C)c1	491048053	KDLPOHIINDLLTK-PZHUPROXSA-N	304.350	1.127	50	20	DDGD	
O=C(CCCOc1ccc(Cl)cc1)N1CC[C@H](B(O)O)C1	585076985	PDIBYQWXJDVWDL-NSHDSACASA-N	311.574	1.574	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@H]1C[C@]12CCc1ccccc12	584910920	FFUNSRYKFYFDLF-AEFFLSMTSA-N	307.158	1.209	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@]2(C)CCCOC2)c(F)c1	837206531	DJKWSXNBPSETSU-OAHLLOKOSA-N	310.325	1.872	50	20	DDGD	
COc1ccc([C@H](C)NCc2ccc(B(O)O)cc2F)cc1	585021635	YDKLHGRPHSHJEV-NSHDSACASA-N	303.142	1.365	50	20	DDGD	
O=C(NC[C@@H]1CCCNC1=O)NNc1cc(F)c(F)c(F)c1	838777976	GHIZGORWBDPUIF-ZETCQYMHSA-N	316.283	1.256	50	20	DDGD	
C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NNc1cccnn1	736698068	SVCSXUISPAZGKJ-LLVKDONJSA-N	309.329	1.435	50	20	DDGD	
O=C(NNC(=O)C1(c2cccc(F)c2)CCCC1)c1ncon1	832826069	QQNFGWCULNRNHJ-UHFFFAOYSA-N	318.308	1.482	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCCC[C@H]1CCOC1	836648884	YCHDWIVHRKVQJM-HNNXBMFYSA-N	319.405	1.766	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(CCCCNC(=O)NNc2cccnn2)C1	736379914	ZONRURYGYFUUGW-OKILXGFUSA-N	320.441	1.861	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)N[C@H]1CCC[C@@H]2C[C@H]12	838773815	CRDAMZPXRSZXMO-SWHYSGLUSA-N	321.352	1.724	50	20	DDGD	
Cc1cccc(C=NNC(=O)[C@H](C)CN2CCOCC2)c1F	834933833	ROWKHCYEUVJAIX-CYBMUJFWSA-N	307.369	1.553	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1CCc2ccc(F)c(F)c21	585046209	SUVFREQIJCVYIO-CQSZACIVSA-N	303.117	1.422	50	20	DDGD	
Cc1csc(CC(=O)NNC(=S)NC(C2CC2)C2CC2)n1	734755363	NOQZEAMPAIAXQM-UHFFFAOYSA-N	324.475	1.678	50	20	DDGD	
CCC1(CC)CCCN(C(=O)c2ccc(B(O)O)cc2)CC1	584980415	ZGGDSTGDCUGQMP-UHFFFAOYSA-N	303.211	1.799	50	20	DDGD	
COc1ccccc1[C@@H](NCc1ccc(B(O)O)o1)C(C)(C)C	585031296	CJSCXQPVQAMPJV-MRXNPFEDSA-N	317.194	1.845	50	20	DDGD	
CO[C@]1(C)C[C@@H](NCC(=O)NNC(=O)c2ccccc2)C1(C)C	831343706	LQZMHKOUPMSBDI-CXAGYDPISA-N	319.405	1.241	50	20	DDGD	
CC(C)c1ccc(NNC(=O)N[C@@H](C)CS(C)(=O)=O)cc1	838470962	GTHXKGAUOBDIHG-NSHDSACASA-N	313.423	1.869	50	20	DDGD	
CCN1C[C@@H](NC(=O)[C@H](Br)C(C)(C)C)CC1=O	836849535	JFOZKICPVHPWAK-WPRPVWTQSA-N	305.216	1.533	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCC[C@H]1c1ccsc1	584930367	WHHIPWKMNDMGLX-AWEZNQCLSA-N	301.176	1.405	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCCCNC(=O)OC(C)(C)C	910152627	RACBZUQJWVTMAU-NSHDSACASA-N	303.403	1.025	50	20	DDGD	
Cc1cc(CC(=O)NN=C2CCN(Cc3ccccc3)C2)n[nH]1	839411544	UALJZQHFPMSUDS-UHFFFAOYSA-N	311.389	1.639	50	20	DDGD	
Cc1nn(CCC(=O)O)c(C)c1C=NNC(=O)OC(C)(C)C	738922391	GZNRZSLHEWDPAH-UHFFFAOYSA-N	310.354	1.833	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C[C@@H]1CC[C@@H]2C[C@H]12	838121688	INHDMLIDNVTASL-RNJOBUHISA-N	310.394	1.548	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@H](C(=O)O)C1)c1cccc(Cl)c1	833149300	MAZFVOSFGMYRTH-KOLCDFICSA-N	324.764	1.992	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NNC(=O)C1CCC1	732047690	ADJNTOLAXWTGFS-UHFFFAOYSA-N	313.335	1.013	50	20	DDGD	
CC(C)(C)N1C[C@@H](C(=O)NNc2ccccc2[N+](=O)[O-])CC1=O	914748676	YCGHXZHQVYYXCT-JTQLQIEISA-N	320.349	1.685	50	20	DDGD	
CCN1C[C@H](NC(=O)NNc2c(C)cccc2Cl)CC1=O	838675765	NNDPNPIGESRHNN-SNVBAGLBSA-N	310.785	1.895	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCO[C@@H](C(=O)O)C1	836716525	WUPMBSWEQSLYGX-HTQZYQBOSA-N	308.172	1.108	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)C1CCS(=O)(=O)CC1	746703951	PGNRNFOBZDQCMS-UHFFFAOYSA-N	322.308	1.372	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@@H](C)C(=O)OC(C)C)n1	745905032	GRWSSBLICRSONF-SECBINFHSA-N	309.370	1.307	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=Cc1ccc(C#N)o1	743429285	IVAFOCNGTCAYQV-YNEHKIRRSA-N	318.377	1.347	50	20	DDGD	
CCn1nc(C)c(S(=O)(=O)NNC(=O)C2CCCC2)c1C	741647252	BESIJWKGVSHFIE-UHFFFAOYSA-N	314.411	1.020	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@@H]1CCN[C@H](C)C1)c1ccccc1	841990048	XTOJOHISSIINST-YUELXQCFSA-N	318.421	1.651	50	20	DDGD	
COc1cccc(O)c1C(=O)NNC(=S)N[C@@H](C)C1CC1	912159294	FLCWLVCODZBJEQ-QMMMGPOBSA-N	309.391	1.308	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1coc2ccccc12	747751615	OIOSCKWYSWEVMK-SNVBAGLBSA-N	323.374	1.211	50	20	DDGD	
C=CCN1C(=O)C(=NNC(=O)CC(F)(F)F)c2ccccc21	917550737	MWSGFKFDWZEUQJ-UHFFFAOYSA-N	311.263	1.992	50	20	DDGD	
CCSc1cccnc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843656549	AZHYCAQNYKQEKS-UWVGGRQHSA-N	309.391	1.380	50	20	DDGD	
O=C(NNc1ccccc1Cl)[C@H]1CCc2nnnn2CC1	845854939	RKIKYCLBHKXEQK-VIFPVBQESA-N	306.757	1.422	50	20	DDGD	
CC(C)CCOc1ccc(NC(=O)NNC(=O)CO)cc1F	847254513	XPTXKDLPDKSGSX-UHFFFAOYSA-N	313.329	1.396	50	20	DDGD	
CN(C)CCc1ccc(C(=O)NNc2ncncc2Cl)cc1	847847979	YDAWXTKHWREIGA-UHFFFAOYSA-N	319.796	1.991	50	20	DDGD	
CC1CCN(C[C@@H](C)C(=O)NN=C2CCN(C)[C@H](C)C2)CC1	741453966	COYVGCJROQKZPD-HUUCEWRRSA-N	308.470	1.941	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H](C)COCC2CC2)n1	845585589	GMYIGBVFIWGISA-LLVKDONJSA-N	306.366	1.149	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CCO[C@H]2C)cc(OC)c1OC	842551727	DUVYITMRHVASQD-JQWIXIFHSA-N	322.361	1.588	50	20	DDGD	
COCc1cccc(S(=O)(=O)NCCCSC#N)c1	916972128	LQKLRBDEUVNNMS-UHFFFAOYSA-N	300.405	1.716	50	20	DDGD	
CCn1nc(C2CC2)cc1C(=O)NNC(=S)N[C@@H](C)C1CC1	912159995	JYEMOUZWCDBFGJ-VIFPVBQESA-N	321.450	1.688	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NN=Cc2cc(C)nn2C)c1	841606724	KSPVMCNMQFTVBR-UHFFFAOYSA-N	300.362	1.874	50	20	DDGD	
NNC(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1	841797253	ORUJICLVRLNLPU-UHFFFAOYSA-N	311.817	1.025	50	20	DDGD	
C[C@@H](C(=O)NNc1cnc2ccccc2n1)[C@H](C)S(C)(=O)=O	841425582	RANDJNZEGNRQCQ-ZJUUUORDSA-N	322.390	1.142	50	20	DDGD	
O=C(NNC(=S)N[C@@H]1CCc2ccccc2C1)C1CCC1	742999337	QTVYNDGYBMAKCD-CQSZACIVSA-N	303.431	1.839	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)C(C)(C)c1cccc(F)c1	843650640	FSBFUQGNGCNUSE-ZWNOBZJWSA-N	308.353	1.676	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNC(=O)COc1ccc(C#N)cc1	841376064	QCLFRVXANKJZRI-CQSZACIVSA-N	319.361	1.146	50	20	DDGD	
CSCC1(CC(=O)NNC(=O)c2ccc3c(c2)OCO3)CC1	845077921	ZZLOFSHGZLTWKH-UHFFFAOYSA-N	322.386	1.710	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)COc1ccc(C)c(C)c1	921165786	XEZGDOWTEJJFCR-AWEZNQCLSA-N	320.389	1.811	50	20	DDGD	
C[C@H]1CCC[C@@H](OCC(=O)NNC(=O)c2cccc(F)n2)C1	856424982	WXOYKWRIKJKTAT-WDEREUQCSA-N	309.341	1.577	50	20	DDGD	
CCc1cccc(C(=O)NNC(=S)N[C@H](C)C2CC2)c1O	855098569	JKHKBAHCXODNGS-SECBINFHSA-N	307.419	1.862	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@H]2CCO[C@@H](C)C2)c1	858343345	YQCAGDHEPCGRLH-QWRGUYRKSA-N	311.407	1.816	50	20	DDGD	
CC(C)(C)n1ccnc1SCC(=O)NNc1cccnn1	753090478	JROOMPNBAVMZCI-UHFFFAOYSA-N	306.395	1.664	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)C(F)(F)c1nccs1	756812759	QBTVQPPFLLCTPG-UHFFFAOYSA-N	316.289	1.359	50	20	DDGD	
C[C@H]1COC[C@H]1NC(=O)NNC(=O)Nc1cc(F)cc(F)c1	926021393	WQQCIOSPEVLLCF-WRWORJQWSA-N	314.292	1.335	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H]1C[C@]1(C)C(C)C	854284124	XPBQLMXMJWMICK-SMDDNHRTSA-N	301.456	1.543	50	20	DDGD	
COC(=O)C(C)(C)CNC(=O)NNc1ccc(Cl)cn1	852200048	UNRFGNPAJJGFGK-UHFFFAOYSA-N	300.746	1.560	50	20	DDGD	
N#CC[C@H]1CCCN(CC(=O)NNC(=O)c2ccccc2)C1	852319597	PYNFVCDGOJDKRO-CYBMUJFWSA-N	300.362	1.073	50	20	DDGD	
CCCNC(=O)Nc1ccc(CC(=O)NNC(=O)C2CC2)cc1	751291904	ZDERXJQUQSXIAC-UHFFFAOYSA-N	318.377	1.318	50	20	DDGD	
C[C@@H](C[C@H]1CCOC1)NC(=O)NNC(=O)Cc1ccc(F)cc1	759765338	ANZMBMGMRCHXCY-WCQYABFASA-N	323.368	1.514	50	20	DDGD	
CN(C[C@H](O)C1CC1)C(=O)NC[C@@]1(C)C[C@H]1Br	856953374	KWGXICAUMVDCLD-HOSYDEDBSA-N	305.216	1.572	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=C[C@@H]1C[C@H]2C=C[C@H]1C2	755678613	JUNIEXNXANFJDP-SRVKXCTJSA-N	303.387	1.792	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNC(=O)c2c[nH]nc2C)cc1C	757780915	NRVWIOQPDHNJLT-UHFFFAOYSA-N	315.333	1.696	50	20	DDGD	
Cc1ccc(/C=C\C(=O)NNC(=S)N[C@H](C)C2CC2)cn1	855098022	ABTKIJOGGRNYGJ-UIJKISKDSA-N	304.419	1.697	50	20	DDGD	
CCn1nncc1CNC(=O)NC[C@@]1(C)C[C@H]1Br	858627530	BGLQCKSFIKRFLG-MWLCHTKSSA-N	316.203	1.271	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)[C@H]1CCCN(C(=O)C2CC2)C1	855469108	TUTRMGDRZCLQHF-NSHDSACASA-N	322.796	1.827	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](C)Oc1ccc2c(c1)CCC2	854926089	VCAFDRPNMKJSBH-JTQLQIEISA-N	307.419	1.410	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1nc(Cl)ccc1F	759771015	AIVJZXOBYBASDB-UHFFFAOYSA-N	314.626	1.380	50	20	DDGD	
CNC(=O)CCCC(=O)OC[C@H](CBr)C1CC1	859645519	DWTBPIUWCXSQJH-JTQLQIEISA-N	306.200	1.867	50	20	DDGD	
CCC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1	920380360	IXAREUAAHFOFFA-LBPRGKRZSA-N	309.391	1.287	50	20	DDGD	
CCC1(C(=O)NNC(=O)Cn2ccc3ccccc32)COC1	755291921	JCYUCWOIKOFEPB-UHFFFAOYSA-N	301.346	1.215	50	20	DDGD	
O=C(NCc1nc2c(s1)CCCC2)NNc1cccnn1	926441396	BUYADOXJCVXXAS-UHFFFAOYSA-N	304.379	1.638	50	20	DDGD	
Cc1ccc(/C=C/C(=O)NNC(=S)NCC2CCC2)cn1	855089417	QGBRDZKEHIKZMN-BQYQJAHWSA-N	304.419	1.699	50	20	DDGD	
Cc1ccc(NNC(=O)C[C@H]2CCCS(=O)(=O)C2)cc1F	856226062	STBHYKDRZRRWPH-LLVKDONJSA-N	314.382	1.792	50	20	DDGD	
NC(=O)[C@H]1CC[C@H]1C(=O)NNc1ccnc2cc(Cl)ccc12	856779883	BOGLYFAPMCZAHP-VHSXEESVSA-N	318.764	1.843	50	20	DDGD	
CC(C)N(CC(=O)NNC(=O)c1ccc[nH]1)C(=O)OC(C)(C)C	854278091	OVVGPWVPUMSXRB-UHFFFAOYSA-N	324.381	1.421	50	20	DDGD	
COc1ccc(C=NNC(=O)CNC(=O)c2ccco2)cc1C	750936236	GUEQXBRSEWMEAL-UHFFFAOYSA-N	315.329	1.477	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)OC[C@H](CBr)C1CC1	922993329	HYJIAAJIJDYNRW-WDEREUQCSA-N	318.211	1.962	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F	854923057	YISGDWRVYLTOOC-SSDOTTSWSA-N	314.342	1.305	50	20	DDGD	
Nc1nccnc1C(=O)OC[C@@H](CBr)C1CC1	859469513	TXYMJTUIZFUACZ-MRVPVSSYSA-N	300.156	1.637	50	20	DDGD	
CCn1nccc1NC(=O)NNC(=O)c1cccc(N(C)C)c1	757903515	WKOTTYMLHZJATR-UHFFFAOYSA-N	316.365	1.436	50	20	DDGD	
N#C/C(=C/c1cn(CC(=O)O)nn1)C(=O)c1cc2ccccc2o1	759076881	UBYSAUJNFUXNQZ-WZUFQYTHSA-N	322.280	1.899	50	20	DDGD	
CN1CCCN(C(=O)NC[C@]2(C)C[C@@H]2Br)CC1	856951270	SHVSSCVRTMHDPP-JQWIXIFHSA-N	304.232	1.507	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)/C=C(\C)c1cccs1	856983715	WBMNHCXRZWLAPK-DDXVTDLHSA-N	310.375	1.641	50	20	DDGD	
O=C(NNc1ccccc1)NC1CCN(c2cccnn2)CC1	759625995	LQKSVRLCQOCYHN-UHFFFAOYSA-N	312.377	1.772	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cnc2ccccn12	755631147	JKBZYYPSSQIFGF-UHFFFAOYSA-N	300.347	1.445	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc2nc(C3CC3)sc2c1	756270349	ZCAVLAZYDQCZTN-UHFFFAOYSA-N	320.374	1.973	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)c2cc[nH]n2)cc1	855356725	QYZKNIIEYNZZAZ-UHFFFAOYSA-N	315.377	1.326	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2cnc(C3CC3)s2)n1	753464978	VWOBHIWXDZKGMZ-UHFFFAOYSA-N	310.770	1.803	50	20	DDGD	
COC(=O)CSCCC(=O)NNc1ccc(C)c(F)c1	856229656	RYQXRFYABCJCPD-UHFFFAOYSA-N	300.355	1.874	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2C[C@@H](C)Cc3c[nH]nc32)n1	857865435	OXUUELYEQPYJJD-JOYOIKCWSA-N	313.361	1.240	50	20	DDGD	
C[C@]1(CNC(=O)C2(C(=O)NC3CC3)CC2)C[C@@H]1Br	857399851	GMRDDRMGAKGRDZ-JOYOIKCWSA-N	315.211	1.335	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H]2CCCc3nn(C)cc32)c1	862479188	GHMSMYCTJRFDAC-JTQLQIEISA-N	318.402	1.671	50	20	DDGD	
CC(C[C@H](C)NC(=O)OC(C)(C)C)=NNC(=O)c1cn[nH]c1	863154543	FQBUKJHKDOCRGE-VIFPVBQESA-N	309.370	1.819	50	20	DDGD	
C[C@H](C(=O)NNc1cccc2c1CCCC2)[C@H]1CCC(=O)N1	860322842	OIZMRWPJAWLXSZ-SMDDNHRTSA-N	301.390	1.923	50	20	DDGD	
N#CC1=CCN(C(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC1	767176483	DSBNXMQIDXIGGL-OAHLLOKOSA-N	323.352	1.188	50	20	DDGD	
Cc1ccc2cccc(NC(=O)C(=O)NNC(=O)C(C)C)c2n1	763821584	UOCRMAVGKZXJBA-UHFFFAOYSA-N	314.345	1.285	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccccc1F	763958119	PEXRWVVZSMNMEW-UHFFFAOYSA-N	315.304	1.534	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)c2cccn2C)c(Cl)c1	761834901	GUUPTVUOIQAFHD-UHFFFAOYSA-N	305.765	1.991	50	20	DDGD	
Cc1cc(NNC(=O)c2cccc(C3OCCO3)c2)ncn1	764271086	IFDBGBKZGLDJNJ-UHFFFAOYSA-N	300.318	1.587	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNc1ccc(C(F)(F)F)cn1	867493930	SMMNSGPISJWEFP-VIFPVBQESA-N	304.272	1.458	50	20	DDGD	
NC(=O)C(=O)NN=Cc1ccc(OCc2ccccc2F)cc1	767034464	TXXJJAPUNSPMFI-UHFFFAOYSA-N	315.304	1.340	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cnn([C@@H](C)C2CC2)c1	930974613	ACAQEODMRRKTSW-NSHDSACASA-N	303.366	1.810	50	20	DDGD	
COCCC1CCN(C(=O)/C(C#N)=C/c2cnn(C)c2)CC1	862427954	JFGHYWMTVXEDBI-OQLLNIDSSA-N	302.378	1.602	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNc1nc2ccccc2[nH]1	768499238	AMVFHGRMYPZORU-UHFFFAOYSA-N	315.358	1.498	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	864486325	YGIVLNOJEOERGU-UHFFFAOYSA-N	310.350	1.280	50	20	DDGD	
N#Cc1cc(O)cc(C(=O)NNCC(F)(F)C(F)(F)F)c1	863101489	VSZBKXYFXNJUCG-UHFFFAOYSA-N	309.194	1.696	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cnc2ccccn12	863096816	XBXQKILMWXUMGL-UHFFFAOYSA-N	308.210	1.766	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCCNC(=O)C(C)(C)C	866682199	KABKBVDJSAWYAE-UHFFFAOYSA-N	312.863	1.333	50	20	DDGD	
Cc1ccn2ncc(C(=O)NNC(=O)CC(F)(F)F)c2c1	766840262	OLKNZBDJYVUCQT-UHFFFAOYSA-N	300.240	1.356	50	20	DDGD	
CC(=O)N1CCC(C(=O)NNc2ccc([N+](=O)[O-])cc2)CC1	768244498	RVAGHAQOZOSXCK-UHFFFAOYSA-N	306.322	1.296	50	20	DDGD	
CC#CCCCC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	767091151	KRPIIHYIMSPASO-UHFFFAOYSA-N	310.357	1.827	50	20	DDGD	
CC(C)(C)n1cnc(C(=O)NNC(=S)Nc2ccccn2)n1	1119113140	GQZRFSJVBJHERV-UHFFFAOYSA-N	319.394	1.060	50	20	DDGD	
CN(CC(=O)NNc1cccc([N+](=O)[O-])c1)[C@@H]1CCSC1	764997335	JQBDVSBMMNUZHT-GFCCVEGCSA-N	310.379	1.475	50	20	DDGD	
CC(CCCC(C)C)=NNC(=O)N[C@H]1CCS(=O)(=O)C1	764684028	VVSXMSDZITYUPD-LBPRGKRZSA-N	303.428	1.675	50	20	DDGD	
CC1=NO[C@@H](CNC(=O)NNC(=O)Cc2ccccc2C)C1	875967995	FBYBVWJTRSXAFA-CYBMUJFWSA-N	304.350	1.033	50	20	DDGD	
COC(=O)N(C)N=Cc1cc(Br)cnc1OC	872372566	CHHLOFFUZTZQLN-UHFFFAOYSA-N	302.128	1.885	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cnc(C3OCCO3)s2)n1	773748399	AMZFTDKBWAKEFD-UHFFFAOYSA-N	321.362	1.352	50	20	DDGD	
CC(=O)Nc1cccc(C=NNC(=O)NCC(F)(F)F)c1	872343731	BRDWWABWSOZHPL-UHFFFAOYSA-N	302.256	1.840	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNC(=S)Nc1ccc(C)cc1C	873761122	QEKXVGRPTWXYGU-OAHLLOKOSA-N	307.419	1.948	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN[C@H](c2ccc(F)cc2)C1	874892125	AEYYSFLUTMIQJX-HVCHUGMYSA-N	303.337	1.743	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CCc2cnn[nH]2)c(C)c1	873761014	NBEVILIZVXLDTL-UHFFFAOYSA-N	318.406	1.372	50	20	DDGD	
Cc1ccnc(O)c1C(=O)NNC(=O)Cc1c[nH]c2ccccc12	1116509925	HNQSSPOYWCCFRF-UHFFFAOYSA-N	324.340	1.581	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@H]2CCO[C@]3(CCOC3)C2)n1	875447394	PTIZCXAFHKRLDF-SWLSCSKDSA-N	306.366	1.354	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1cccc2nccn12	771098541	QYKNJOOEDPIVAX-AWEZNQCLSA-N	313.405	1.906	50	20	DDGD	
Cn1ccc2cccc(NC(=O)NNC(=O)C3CCOCC3)c21	879345529	VFOQCRIVSZWFSB-UHFFFAOYSA-N	316.361	1.758	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C1(F)CCCC1	772780755	PVOWCSCKUOEVNS-SNVBAGLBSA-N	302.346	1.394	50	20	DDGD	
C=CCC1(O)CCN(S(=O)(=O)CC(C)(C)CCl)CC1	885696154	GNXKYXKAUUNIHL-UHFFFAOYSA-N	309.859	1.984	50	20	DDGD	
O=C(C[C@@H](O)c1ccc(Cl)cc1)NNC(=O)c1ccccn1	772556766	ZXSARUYGKZKUKC-CYBMUJFWSA-N	319.748	1.620	50	20	DDGD	
O=C(CNC(=O)c1ccncc1)NNc1c(F)cccc1Cl	770295004	AANAUSIRSYYDSP-UHFFFAOYSA-N	322.727	1.747	50	20	DDGD	
C[C@H](CCOc1ccccc1)C(=O)NNC(=O)C1CCOCC1	883065108	ZMNDIYVRFLFLOK-CYBMUJFWSA-N	320.389	1.666	50	20	DDGD	
O=C(NNC(=O)C1(c2ccc(Cl)cc2)CC1)C1CCOCC1	883059035	KHJXGBXCQWGTOQ-UHFFFAOYSA-N	322.792	1.946	50	20	DDGD	
CCc1onc(C)c1NC(=O)C(=O)NN(C)c1ccccc1	783433311	OAGKXARLWSXWDL-UHFFFAOYSA-N	302.334	1.652	50	20	DDGD	
C[C@H]1C[C@@H]1c1ccc(CCC(=O)NNC(=O)C2CCOCC2)o1	883060476	NFQPTFPCIPEJDH-FZMZJTMJSA-N	320.389	1.910	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNc1ccc(C)c(C(=O)OC)c1	880079561	XVHHZPQGHDKZBD-ZDUSSCGKSA-N	307.350	1.139	50	20	DDGD	
COc1c(Br)cccc1C(=O)NN(C)[C@H](C)CO	1123903433	MUTBJFDDOCZACC-MRVPVSSYSA-N	317.183	1.415	50	20	DDGD	
COCC1(C(=O)NNC(=O)NCc2ccc(Cl)cc2)CC1	787424446	SCRCCICPIOJMSB-UHFFFAOYSA-N	311.769	1.597	50	20	DDGD	
COc1cccc(NNC(=O)c2ncc(C#N)cc2Cl)n1	780774176	KEKNNYCSBUJHAL-UHFFFAOYSA-N	303.709	1.767	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2nnc(O)nc2O)cc1	781042537	QSHVTWGZLCZVPY-UHFFFAOYSA-N	303.322	1.337	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1ccnc(F)c1F	792157168	CLDOTCALODICPG-UHFFFAOYSA-N	318.243	1.562	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2n[nH]c3c2C[C@@H](C)CC3)n1	897622672	WHXQHXPLDHLOKD-VIFPVBQESA-N	313.361	1.313	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(F)n1	793027284	BALZZHOOCAUVAD-UHFFFAOYSA-N	319.252	1.211	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)[C@@H]1CCOC2(CCC2)C1	895537848	VJQWMMFCRKXQKK-CYBMUJFWSA-N	317.389	1.595	50	20	DDGD	
CN(C)CC(=O)NN=C(C[C@@H]1CCOC1)c1ccc(F)cc1	793004143	HUJHQWOXTXCUAX-LBPRGKRZSA-N	307.369	1.634	50	20	DDGD	
Cn1cncc1CCC(=O)NNC(=O)CCc1ccccc1	793329850	YNHGCKRNCMYOCT-UHFFFAOYSA-N	300.362	1.133	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cnc3c(c2)c(C)nn3C)n1	794077552	XEVXQJUWBVKYBK-UHFFFAOYSA-N	324.344	1.055	50	20	DDGD	
CC(C)Cc1ccccc1C(=O)NNC(=O)c1cnn(C)c1	790656180	SQUVLFRHULJRNO-UHFFFAOYSA-N	300.362	1.693	50	20	DDGD	
CCO[C@@H]1CCCN(C(=O)NNC(=O)c2cccc(C)n2)C1	793227851	IEXKMAAGDFAPRB-GFCCVEGCSA-N	306.366	1.245	50	20	DDGD	
COc1cc(NNC(=O)CC2OCCCO2)ccc1Cl	793983817	WWVIOLUJZSMNEP-UHFFFAOYSA-N	300.742	1.945	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc3nccnc3c2)cc1	1317705688	MMKHNJXRGMPQIN-UHFFFAOYSA-N	322.324	1.713	50	20	DDGD	
CC(C)NC(=S)NNC(=O)Cc1coc(-c2cccs2)n1	1318308067	WIWBNJUPEKYJHK-UHFFFAOYSA-N	324.431	1.849	50	20	DDGD	
Cc1cscc1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1319003983	AWQLOVWLFFYFQZ-UHFFFAOYSA-N	304.375	1.733	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)CO[C@H]1CCOC1	1319873738	RXNTYVJYJHAEEI-ZDUSSCGKSA-N	301.346	1.792	50	20	DDGD	
Cc1cccc(CCNC(=O)NNc2nncc(N)c2Cl)c1	1323992750	WWLYNDJIXRJJOU-UHFFFAOYSA-N	320.784	1.889	50	20	DDGD	
CC(C)c1nnc(CCC(=O)NNC(=O)OCC(F)(F)F)o1	1329416642	MRTOYIOXYSEZPJ-UHFFFAOYSA-N	324.259	1.445	50	20	DDGD	
CC1(C)CCC[C@H](CNC(=O)NNC(=O)C2CCNCC2)C1	1328725360	PGJYZPJDRNGBPF-LBPRGKRZSA-N	310.442	1.533	50	20	DDGD	
Cc1ccc(O)c2c1[C@@H](C)CC2=NNC(=O)[C@H]1CCC(=O)N1	1331723885	ZWAYYBUDYILTER-VHSXEESVSA-N	301.346	1.307	50	20	DDGD	
CCC(=NNC(=O)c1n[nH]c2c1CCCC2)c1nccn1C	1335767513	DSPDVNLYTFMAMH-UHFFFAOYSA-N	300.366	1.566	50	20	DDGD	
CCc1cc(C(=O)NNc2cccc(F)c2C(=O)OC)nn1C	1336007029	CYDVONFOBKECBT-UHFFFAOYSA-N	320.324	1.665	50	20	DDGD	
COC(=O)C(=O)NNC(=O)Nc1ccc(Cl)cc1Cl	1330695776	SRUPNNFICRHFGH-UHFFFAOYSA-N	306.105	1.319	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cnn(-c2ccncc2)c1C	1334791163	QRHGWOQWPGJYNP-UHFFFAOYSA-N	311.345	1.140	50	20	DDGD	
CSC[C@@H]1CCCN1CC(=O)NNC(=O)c1cccs1	777605642	RLDNOEQRJFLAQB-JTQLQIEISA-N	313.448	1.337	50	20	DDGD	
O=C(CCO)NN=Cc1ccc(OCc2ccccc2)cc1O	1342195594	SDCFJNIDMLLKRH-UHFFFAOYSA-N	314.341	1.804	50	20	DDGD	
CC(=O)NC[C@H]1CN(C(=O)C2CCC(Cl)CC2)CCO1	1347682248	ALIJRIABPGPZAZ-BPCQOVAHSA-N	302.802	1.148	50	20	DDGD	
COc1cccc(NNC(=O)c2n[nH]cc2Br)n1	1521188699	HCMDDUCFFYCRAR-UHFFFAOYSA-N	312.127	1.333	50	20	DDGD	
C=C(CC)C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	1520729372	NPYIPJAQLJFIQI-UHFFFAOYSA-N	308.334	1.440	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2ccc(C(=O)O)c(Cl)c2)co1	1601164077	SIWGYRIMMOMAKE-UHFFFAOYSA-N	323.692	1.487	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@@H](O)c1cccnc1	1602230441	HYXZOGKOVKQAAF-LBPRGKRZSA-N	305.265	1.096	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc1	1602129013	KFWPIJJQFXXFMC-CORIIIEPSA-N	304.346	1.572	50	20	DDGD	
CCOC(=O)CCCNC(=O)NNc1cccc(C(=O)O)c1C	1605537108	WGANVUXWASRBIW-UHFFFAOYSA-N	323.349	1.663	50	20	DDGD	
CCCN1CC[C@H](CNC(=O)NNc2cccc(C(=O)O)c2)C1	1609978046	DBUDFIPDWDAXDO-GFCCVEGCSA-N	320.393	1.743	50	20	DDGD	
Cc1cc(C)c(C(=O)NNc2ccc(C(=O)O)cn2)c(O)n1	1610449695	CXBFALJCZVYWTM-UHFFFAOYSA-N	302.290	1.254	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@@H]2C=NNC(=O)c2cn[nH]c2)cn1	1552672807	PWCHHQUAVFUDKP-ZWNOBZJWSA-N	302.338	1.120	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)CC2(N)COC2)C1	1575263210	VBOKGTVXENGFQK-LBPRGKRZSA-N	314.502	1.727	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1sccc1-c1nn[nH]n1	1589116588	WVZACRGFBORFMU-UHFFFAOYSA-N	323.382	1.517	50	20	DDGD	
CC(C)c1oncc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1589781410	QPBYCQZKSWIDQA-UHFFFAOYSA-N	313.321	1.735	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNc1cccc(F)c1C(=O)O	1588599524	UQFANEFPSBOZSS-ZANVPECISA-N	308.309	1.948	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1O)c1cc(C(=O)O)co1	1589012382	JKUJCDSINZKPRD-UHFFFAOYSA-N	318.285	1.603	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cn[nH]c2)C1	1843501827	RHKGMYIQSJXSPL-NSHDSACASA-N	310.785	1.244	50	20	DDGD	
C[C@@H](CC(=O)NNc1cccc(C(=O)O)c1F)n1cccn1	1592252915	QVWHTVBMUCYNDT-VIFPVBQESA-N	306.297	1.815	50	20	DDGD	
CO[C@H](C(=O)O)C(=O)NN(c1ccccc1)c1ccccc1	1593908195	DPQCVXDOHRCCCP-AWEZNQCLSA-N	300.314	1.956	50	20	DDGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)O)c1C	1593955923	CGMHYTNWDQHGDK-MQOXYSQQSA-N	320.345	1.847	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)NNc1ccc(CC(=O)O)cc1	1594196063	FZAVUWDDWVQIGI-YGRLFVJLSA-N	304.346	1.762	50	20	DDGD	
O=C(O)Cn1cccc(C(=O)NNc2cccc(Cl)c2)c1=O	1595156328	JMXWSZQMLIRHDN-UHFFFAOYSA-N	321.720	1.343	50	20	DDGD	
O=C(O)/C=C/c1cc(C(=O)NNC(=O)CC(F)(F)F)co1	1594968864	SLOGPNVKPURJRC-OWOJBTEDSA-N	306.196	1.091	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)cc1	1592691847	FGPGVSAAIJYPFX-UHFFFAOYSA-N	317.312	1.502	50	20	DDGD	
CCc1cc(C(=O)O)c(C=NNC(=O)C2CCOCC2)s1	1776103038	MDJUNQZGSIZXNA-UHFFFAOYSA-N	310.375	1.885	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1cc(Cl)ncc1C(=O)O	1776043040	BEAAKPDRLYAKEF-UHFFFAOYSA-N	318.720	1.521	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)O)CCC1=NNC(=O)c1ccc(C(=O)O)cc1	1776101138	SMURRQWVYYSJPX-BXKDBHETSA-N	318.329	1.991	50	20	DDGD	
CNC(=O)NN=Cc1cccc(Br)c1C(=O)O	1776038913	SJRRYZJSUOOGOX-UHFFFAOYSA-N	300.112	1.410	50	20	DDGD	
CC(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Cl)[C@H]2C1	1787445263	CNYNSCAGZOGCFL-FIQHERPVSA-N	320.792	1.157	50	20	DDGD	
COc1ccc(NCC(=O)N/N=C2\C(=O)Nc3ccccc32)cc1	5910898	AEDKQOVORZQRGI-UHFFFAOYSA-N	324.340	1.580	50	20	DDGD	
O=C(/C=C/SCc1ccco1)NNC(=O)c1ccncc1	152034274	CPBKXUDRAKDGAH-WEVVVXLNSA-N	303.343	1.883	50	20	DDGD	
CCCc1nnc(S)n1CC(=O)NNc1cccc(C#N)c1	152699814	IZZQKDDDYWCHRZ-UHFFFAOYSA-N	316.390	1.534	50	20	DDGD	
COc1ccccc1CCNC(=O)NNc1ccc(C)nn1	106254955	MZTHVPNRXFEQCJ-UHFFFAOYSA-N	301.350	1.662	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccc(C#N)c1)N1[C@H](C)CC[C@H]1C	103525054	LXUMBEWNGTYZHT-UPJWGTAASA-N	314.389	1.581	50	20	DDGD	
CC(C)c1ccc(OCC(=O)NNC(=O)c2cccn2C)cc1	102365690	PHSZPKOMXUWBJV-UHFFFAOYSA-N	315.373	1.989	50	20	DDGD	
O=C(CCc1nnc(-c2ccsc2)o1)NNC(=O)C1CC1	29509612	HXDYWEMPPQHOCJ-UHFFFAOYSA-N	306.347	1.288	50	20	DDGD	
CNC(=O)NNC(=O)c1cccc(NC(=O)C2CCCCC2)c1	56376228	GISCCXUIVWGXQD-UHFFFAOYSA-N	318.377	1.779	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccc(C#N)c2)cc1F	103402956	MIFSHAXBWWEVMU-UHFFFAOYSA-N	313.288	1.781	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)C(=O)Nc1ccsc1	119987402	BNXIQFYYXZAJDK-UHFFFAOYSA-N	313.342	1.773	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cnn(-c2ccccc2)n1	103199987	QXLJPDFZSLZIIV-UHFFFAOYSA-N	301.350	1.465	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)CO[C@H]2CCCC[C@H]2C)n1	112853061	PNRVHOQUPHCOHZ-RISCZKNCSA-N	322.409	1.243	50	20	DDGD	
O=C(CC[C@H]1CCOC1)NNC(=O)Cn1ccc2ccccc21	177181450	TWVBNVNLFBKJOF-ZDUSSCGKSA-N	315.373	1.605	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCOCc1ccccc1	110760737	YWINGZBTKJEPCF-UHFFFAOYSA-N	302.334	1.086	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1	21771752	GHANZLUZWKHJBI-MRVPVSSYSA-N	313.335	1.853	50	20	DDGD	
Cn1nnc2cc(C(=O)NNc3nccnc3Cl)ccc21	114897332	GFJALPGABYNFOF-UHFFFAOYSA-N	303.713	1.169	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1cc(F)c(F)c(F)c1	175459616	XVLHXXNTBXWUFV-UHFFFAOYSA-N	305.256	1.683	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1C[C@@H]1C(=O)OC)c1ccccc1	110341330	MYEPDPXFYXPTMS-XQQFMLRXSA-N	304.346	1.137	50	20	DDGD	
O=C(CCc1nc2ccccc2[nH]1)NNC(=O)c1ccncc1	175395341	UCNFFWVIJYIFQM-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	119771948	WMCYPMKEBXVVGM-BMIGLBTASA-N	312.341	1.292	50	20	DDGD	
CCc1ccc(S(=O)(=O)NNC(=O)NC2CCCC2)cc1	65833035	OSUCORRGYAHJDY-UHFFFAOYSA-N	311.407	1.684	50	20	DDGD	
O=C(CCn1ccnn1)NNc1ccc([N+](=O)[O-])cc1Cl	178471086	GJQJZGWOOWMKJU-UHFFFAOYSA-N	310.701	1.373	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)CC(C)(C)c1ccccc1	67139685	HVAABDFRPHPBOH-UHFFFAOYSA-N	305.378	1.026	50	20	DDGD	
C[C@@H]1CCN(CC(=O)NNC(=O)c2cccs2)C[C@H](C)C1	127752770	LNCGOJJWAULGOE-VXGBXAGGSA-N	309.435	1.877	50	20	DDGD	
Cc1cc(NNC(=O)c2cn(Cc3ccccc3)nn2)nc(C)n1	128658804	CLYYMJTVWSBFHN-UHFFFAOYSA-N	323.360	1.490	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](c1ccccc1)N(C)C	184360304	ICENBVDGERZKHV-LBPRGKRZSA-N	301.350	1.231	50	20	DDGD	
CNCCCNS(=O)(=O)c1ccc(CCCCl)cc1	122958245	MOISAOTZPKXZLR-UHFFFAOYSA-N	304.843	1.746	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NNc2ccnc(F)c2)C1	182486037	ZARMYQPUINUKTR-NWDGAFQWSA-N	322.384	1.949	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2)C1	127250999	YAASTXNNOVSCDR-SNVBAGLBSA-N	306.322	1.296	50	20	DDGD	
CN(NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(N)=O	182660486	RUBNXQJMABRRPR-UHFFFAOYSA-N	306.200	1.269	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)Nc1cccc2cccnc12	183046464	AQNVMUUURHDWKU-UHFFFAOYSA-N	310.317	1.353	50	20	DDGD	
Cc1cc(C)cc(CCNC(=O)NNC(=O)c2cnn(C)c2)c1	128774291	AOTILASIAUFMFU-UHFFFAOYSA-N	315.377	1.224	50	20	DDGD	
CCCOc1cccc(CC(=O)NNC(=O)c2c[nH]nc2C)c1	125433216	GTJIWDUQOGVGNE-UHFFFAOYSA-N	316.361	1.511	50	20	DDGD	
CCN1CCO[C@@H](C(=O)NNc2cccc3c2CCCC3)C1	120326246	MNLFFHDNVFPENX-MRXNPFEDSA-N	303.406	1.729	50	20	DDGD	
O=C(NNc1ccncc1)c1ccc(CN2C(=O)CCC2=O)cc1	180520817	QWRCTTXMNNVDLT-UHFFFAOYSA-N	324.340	1.488	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1nnc(C(F)(F)F)s1	183112792	DFNXOARBARUAPU-SCSAIBSYSA-N	311.289	1.756	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)N[C@H]1CCC[C@@H]2OCC[C@H]12	189584577	JJAOORVDRTUCNT-WOPDTQHZSA-N	316.365	1.313	50	20	DDGD	
C[C@H](CS(C)(=O)=O)C(=O)NNc1ccc(Cl)c(F)c1	80100169	SINMDSYMYZJCML-SSDOTTSWSA-N	308.762	1.603	50	20	DDGD	
Cn1cc(/C=C(\C#N)c2cnc3ccccc3n2)c(=O)n(C)c1=O	191349459	WIWGGHKTBIWSSH-YRNVUSSQSA-N	319.324	1.091	50	20	DDGD	
CCC(=O)N1CCC[C@H](C(=O)NNC(=O)NC2CCCCC2)C1	194436354	UZGAFXNSHZENCX-LBPRGKRZSA-N	324.425	1.298	50	20	DDGD	
COCc1ccc(C(=O)NNc2nc3ccccc3c(=O)[nH]2)cc1	137173727	AKZXWBBVGNBQIC-UHFFFAOYSA-N	324.340	1.826	50	20	DDGD	
COC(=O)C[C@H]1CCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	194786708	GYFBCGPUNFOWSY-RNQWEJQRSA-N	314.341	1.853	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	42901414	KPXNUQNAWWVLOG-ZDUSSCGKSA-N	323.393	1.438	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNC(=O)CCCc1ccccc1	92395348	NEBMLMWOSOUEHV-UHFFFAOYSA-N	314.389	1.766	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)/C=C\C1CCCCC1	255058762	SFAHLEYLOKLPQS-KHPPLWFESA-N	309.410	1.575	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=S)Nc1ccc(OC)nc1	269802230	BSTJWSHNRRFFRO-VIFPVBQESA-N	312.395	1.223	50	20	DDGD	
C[C@@H](NC(=O)C1CCCC1)C(=O)NNc1ccc(Cl)nc1	266553410	SQWPCKKFQILDNH-SECBINFHSA-N	310.785	1.873	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@H]1CCCc2ccccc21	264043240	STCUEEMGMZLNET-INIZCTEOSA-N	309.369	1.892	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)NNC(=O)CCc2ccccc2)C1	368403581	FBQZSJYVXUCFOL-KRWDZBQOSA-N	317.389	1.025	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1c[nH]nc1-c1ccc(OC)cc1	272965390	KBQHZBYAWQFZKC-UHFFFAOYSA-N	317.349	1.391	50	20	DDGD	
C=CCC1(C(=O)NNC(=O)CNC(=O)c2cccs2)CCC1	276562279	CRECOKPFJAXSNU-UHFFFAOYSA-N	321.402	1.372	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)C1=CCCCC1	276314142	WAYCYKQFTJCBFA-JTQLQIEISA-N	311.382	1.547	50	20	DDGD	
O=C(NNC(=O)C1SCCS1)c1ccc(Cl)cc1O	270694925	HYVFJNQTQRXKCW-UHFFFAOYSA-N	318.807	1.613	50	20	DDGD	
CCOc1ccccc1NC(=O)C(=O)NNC(=O)CC(C)C	274211391	TWDDIDLCYRJZRN-UHFFFAOYSA-N	307.350	1.217	50	20	DDGD	
Cc1cc(C)cc([C@@H](O)CNC(=O)NNC(=O)C(C)(C)C)c1	282723700	KTTNACINCVYFNO-ZDUSSCGKSA-N	307.394	1.713	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)Nc1ccc(Cl)cc1	283790593	UADBGFYFKGGINQ-VHSXEESVSA-N	311.725	1.302	50	20	DDGD	
CN1C[C@@H](C(=O)NNc2ccc(C#N)cc2)c2ccccc2C1=O	373274923	OKRYKIYKZYIAMP-MRXNPFEDSA-N	320.352	1.871	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@@H]1CC(=O)N(CC(F)(F)F)C1	286579898	NAKFYQWQEBZBDI-SSDOTTSWSA-N	320.246	1.075	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)C2CC2)CC(c2ccccc2Cl)=NO1	282882863	FMQLCUYXXNZTFI-HNNXBMFYSA-N	321.764	1.781	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@](C)(CC)OC)nc1C	280543890	SROAYJUTKYCUKU-AWEZNQCLSA-N	310.354	1.220	50	20	DDGD	
Cc1noc(CCC(=O)NNc2nccnc2C2CCC2)n1	287283988	UCTFIAWHVQXQLA-UHFFFAOYSA-N	302.338	1.511	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)C(C)(F)F)o1	294290378	WJQUDMZDMNBXLR-UHFFFAOYSA-N	303.309	1.538	50	20	DDGD	
CC(C)Cn1ncc(C(=O)NNC(=O)CC2CC2)c1C1CC1	294141873	LTMMZLBEPYPECC-UHFFFAOYSA-N	304.394	1.978	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1CC(c2ccccc2)=NO1	299205587	DJNUZFKLYDIWSV-LBPRGKRZSA-N	305.334	1.736	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNC(=O)CCOc1ccccc1	299398690	YQSCIJKDJOWGOR-VAWYXSNFSA-N	303.318	1.047	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N=c1cc[nH]cc1)c1ccc(F)cc1	802026844	LFZVZNYNUWZVCS-CQSZACIVSA-N	316.336	1.989	50	20	DDGD	
Cn1c(C(=O)NNc2nccnc2C2CCC2)ccc1[N+](=O)[O-]	805462435	KQRGQFCGSSTXSC-UHFFFAOYSA-N	316.321	1.748	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@@H]1C[C@H](C)CC(=O)N1	293403992	GVGCOQHRHPSYNS-HZMBPMFUSA-N	312.373	1.901	50	20	DDGD	
CC1=C(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)CCCO1	802118539	FBDSAHMAWOFZLC-UHFFFAOYSA-N	318.377	1.990	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	299315598	NUTKQOKEMHMLDC-NWDGAFQWSA-N	324.352	1.722	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(Cl)ccc1F	295694629	ZNKUAKNKPRYIJX-LLVKDONJSA-N	300.717	1.809	50	20	DDGD	
CC[C@@H](OC1CCCC1)C(=O)NNC(=O)N=c1cc[nH]cc1	802027399	FVSMHARLIMXRAC-CYBMUJFWSA-N	306.366	1.394	50	20	DDGD	
COc1cccc(C2(CNC(=O)NNc3ccncn3)CC2)c1	297087552	NBFPRLRXHOEPKC-UHFFFAOYSA-N	313.361	1.843	50	20	DDGD	
Cc1nn(C(F)F)c(C)c1CC(=O)NNC(=O)CC1CC1	294325599	YNTFVYQRCNITPA-UHFFFAOYSA-N	300.309	1.385	50	20	DDGD	
O=C(NNc1ncccc1F)[C@@H]1CC(=O)N(C2CCCCC2)C1	804219221	UEHFQYMOXUEEQI-LLVKDONJSA-N	320.368	1.845	50	20	DDGD	
CC(C)NC(=O)NNS(=O)(=O)c1cnc2ccccc2c1	800833841	JFKHUTSJNYNIAX-UHFFFAOYSA-N	308.363	1.136	50	20	DDGD	
Cc1cc(C)cc(C(=O)NCC(=O)NNc2ncccc2F)c1	804217389	XHRMPRFOVAQOBQ-UHFFFAOYSA-N	316.336	1.711	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=C(C)c2cnnn2C)o1	814822626	VRSOMKSAWQRYMP-UHFFFAOYSA-N	318.381	1.404	50	20	DDGD	
Cc1nnc(CCNC(=O)NNC(=O)c2ccccc2F)s1	811911111	JYXXLLVWIHIAHP-UHFFFAOYSA-N	323.353	1.172	50	20	DDGD	
CCc1nocc1C=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1	814765836	ANGFWYPNZYISQS-AGIUHOORSA-N	322.409	1.432	50	20	DDGD	
O=C(CC1CC1)NN=Cc1cnc2cnc(Br)cn12	814988032	OOTFDZYNFBLXEQ-UHFFFAOYSA-N	322.166	1.742	50	20	DDGD	
COc1ccccc1CONC(=O)NNc1ncncc1F	814329600	SFBMVCBNGOCZRZ-UHFFFAOYSA-N	307.285	1.382	50	20	DDGD	
O=C(NCCc1cccs1)NN=C1CCN(CCO)CC1	819807607	SBIGDTCZBRIIBV-UHFFFAOYSA-N	310.423	1.034	50	20	DDGD	
COc1cc(NC(=O)NNc2ncncc2F)cc(OC)c1	813842041	PXYIFCNMEOKGRF-UHFFFAOYSA-N	307.285	1.782	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C1CCC(C(=O)O)CC1	814719355	LOKLVFPVGRJCOJ-UHFFFAOYSA-N	320.345	1.821	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1c[nH]nc1-c1ccccn1	810282215	OJQKDIJBYPFGAC-UHFFFAOYSA-N	313.361	1.813	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNc1ccccc1S(C)(=O)=O	812507204	MBQDICSIMKOJRP-QWRGUYRKSA-N	314.407	1.452	50	20	DDGD	
O=C(NCc1cccc([N+](=O)[O-])c1)NNc1ncncc1F	814290272	DPXDSSBEHVKFFF-UHFFFAOYSA-N	306.257	1.350	50	20	DDGD	
COc1cc(C(C)=NNC(=O)CNc2ccccc2F)on1	814713839	XWLKOYCIKYHQAR-UHFFFAOYSA-N	306.297	1.775	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(-c2nc[nH]n2)cc1F	819556776	GCLVWHDXTICGHL-JXMROGBWSA-N	301.281	1.993	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccnc(N2CCC[C@H](C)C2)c1	812451409	GXSXMWCDPMFLDJ-LBPRGKRZSA-N	304.394	1.735	50	20	DDGD	
NC(=O)CC1(CNC(=O)NNc2cc(F)c(F)c(F)c2)CC1	817787383	ORGUCDQINYHHAH-UHFFFAOYSA-N	316.283	1.386	50	20	DDGD	
CCC[C@@H]1C[C@H]1C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1	812451826	MMLAWEMIJPIRNG-IGQOVBAYSA-N	311.426	1.069	50	20	DDGD	
CC(C)(CCNC(=O)NNc1ncc(F)cc1F)C(=O)O	818625071	WUSNEFRLYJSXDG-UHFFFAOYSA-N	302.281	1.487	50	20	DDGD	
COc1ccc(NC(=O)NN=C2CC(=O)N3CCCC[C@@H]23)cc1	814999561	DLWAKIDPKDYQKX-AWEZNQCLSA-N	316.361	1.958	50	20	DDGD	
O=C(NN=Cc1ccc2ccc(F)c(F)c2n1)N1CCOCC1	814820029	QLHDDRTXCIMIGL-UHFFFAOYSA-N	320.299	1.889	50	20	DDGD	
O=C1CC[C@]2(C(=O)NNc3cccc(Cl)n3)SCCN12	817005021	ASCVOONIGSIAOL-GFCCVEGCSA-N	312.782	1.244	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCCC(=O)NC(C)C)cc1	729510139	UMCGAHWGKCJRHJ-UHFFFAOYSA-N	319.405	1.705	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)NOC/C=C\Cl	811876574	RQBPTOZPJWGWBN-CLTKARDFSA-N	322.752	1.656	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1conc1C(F)(F)F	816823907	JZXZWDJWGABYNZ-UHFFFAOYSA-N	302.212	1.107	50	20	DDGD	
COCCOc1cccc(CC(=O)NNC(=O)CC2CC2)c1	819125941	HAMRAKRRXBXZLG-UHFFFAOYSA-N	306.362	1.202	50	20	DDGD	
Cc1cc(Cl)nc(C(=O)NNC(=S)N[C@H](C)C2CC2)c1	824446606	ODTYSQMCMXEISZ-MRVPVSSYSA-N	312.826	1.951	50	20	DDGD	
CN(C)c1cccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1	825878715	CLJCOEOJEMHWBX-UHFFFAOYSA-N	323.360	1.690	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H](C)c1ccc(Br)s1	823864745	BZUIQEDBXZCHBL-QMMMGPOBSA-N	321.240	1.960	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccccc1NCc1ccco1	823912405	FNMDGKSMJIPXJP-GFCCVEGCSA-N	303.362	1.849	50	20	DDGD	
CC(C)C[C@H](NC(=O)O)C(=O)NNc1ccc(Cl)nc1	824299691	WXTDGKKETPKGDQ-VIFPVBQESA-N	300.746	1.860	50	20	DDGD	
CCc1cc(C(=O)NNc2cccc(F)c2C(=O)OC)n(C)n1	822728017	LLPRHSABJVVYCM-UHFFFAOYSA-N	320.324	1.665	50	20	DDGD	
N#C[C@H](c1ccccc1)N1CCN(S(=O)(=O)CCl)CC1	820781620	CCWDHZPGGNCFTK-CYBMUJFWSA-N	313.810	1.395	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)C1CC(O)(c2cccc(Cl)c2)C1	823907708	OTHOLRXFHUZCBH-RWWNRMGGSA-N	312.797	1.281	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)c1cnc2n(c1=O)CCS2	727865686	SJFVSMPMTZVHEN-UHFFFAOYSA-N	324.312	1.384	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(C2CC2)nn1-c1ccccc1	823982999	IPOYWDPHWIHUBC-LBPRGKRZSA-N	314.389	1.707	50	20	DDGD	
CCOC(=O)C[C@@H](C)CNC(=O)/C(C#N)=C\c1cnn(C)c1	491174721	IQXXBNMDPHRMEN-PZHUPROXSA-N	304.350	1.033	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H]1O[C@H](C)C[C@@H]1C	822731842	PHBQADFAOZIJFY-IGJMFERPSA-N	310.325	1.869	50	20	DDGD	
Cc1noc2nc(C3CC3)cc(C(=O)NN(C)C[C@H](C)O)c12	821218116	UULKKMJVOMCUFN-QMMMGPOBSA-N	304.350	1.366	50	20	DDGD	
CC(C)[C@H]1C[C@@H](C(=O)NNC(=O)c2cccc(F)n2)CCO1	826695957	SJJQVKARLFKXFY-CMPLNLGQSA-N	309.341	1.433	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1C	494450895	FZLRQIDFLZOTME-UHFFFAOYSA-N	321.377	1.589	50	20	DDGD	
CCc1nncn1CCNC(=O)[C@@]1(C)C[C@@H]1Br	906768486	VXKRKGZAYVCZHA-KWQFWETISA-N	301.188	1.130	50	20	DDGD	
C=CC(C)(C)CNC(=O)NNC(=O)CNC(=O)OC(C)(C)C	495871978	CONSWAUJJKYPQG-UHFFFAOYSA-N	314.386	1.054	50	20	DDGD	
Cn1nc2c(c1C(=O)NNC(=O)c1ccccc1F)CCC2	905089647	KVAILBHCNVGHDP-UHFFFAOYSA-N	302.309	1.123	50	20	DDGD	
C[C@]1(C(=O)N2CCC[C@H](OCCO)C2)C[C@H]1Br	907075200	SPTQLVZZZOJDFB-UMNHJUIQSA-N	306.200	1.160	50	20	DDGD	
CC#CCCCC(=O)NNC(=O)CCNC(=O)OC(C)(C)C	497058733	ZSULDRQFFYOBBD-UHFFFAOYSA-N	311.382	1.242	50	20	DDGD	
CN(C)C(=O)C1CCC(C(=O)NNC(=O)C2CCCC2)CC1	821750179	BFEBTOGAAXGPPL-UHFFFAOYSA-N	309.410	1.219	50	20	DDGD	
C#C[C@@H](C)N(C)CC(=O)NNC(=O)c1cc(C)c(CC)s1	491783688	RJOFAXGROZXDST-LLVKDONJSA-N	307.419	1.333	50	20	DDGD	
C#CCCOc1ccc(C(=O)NNC(=O)CC(F)(F)F)cc1	825505422	ILBXUTZYSBKLLH-UHFFFAOYSA-N	314.263	1.802	50	20	DDGD	
Cc1cc([C@H]2CCN(C(=O)c3cccc(B(O)O)c3)C2)cs1	584977818	RJRWGOFLADNBCJ-ZDUSSCGKSA-N	315.203	1.366	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CC[C@H](c3ccc(F)cc3)C2)o1	585039067	OFTBXEGRKTVHFI-JSGCOSHPSA-N	303.142	1.524	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](c2ccccc2F)C1	732201674	JZKNENNYCJYKSV-RYUDHWBXSA-N	307.369	1.561	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCC[C@@H](OC(F)F)C2)c(F)c1	585044507	LOWAMMDCNYZQCG-VXGBXAGGSA-N	317.116	1.146	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCCc3c(F)cc(F)cc32)o1	585043956	XMODUKYVRAXQTG-CQSZACIVSA-N	307.105	1.405	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H]2[C@@H]3CCc4ccccc4[C@H]32)cc1	585027893	AJXFVTXSJVNXKZ-IPMKNSEASA-N	307.202	1.432	50	20	DDGD	
O=C(/C=C/c1cccc(F)c1)NNC(=O)N=c1cc[nH]cc1	493638604	AWHNTUJTZORNGC-SNAWJCMRSA-N	300.293	1.509	50	20	DDGD	
C=CCCC(=O)[C@H]1CCCN1C(=O)/C(C#N)=C/c1cnn(C)c1	908660770	ONBKJJLONBRPMV-AAWPKVBNSA-N	312.373	1.853	50	20	DDGD	
CC(C)[C@H](NC(=O)O)C(=O)NNc1c(F)c(F)nc(F)c1F	736373894	HMENWWGNZUGTEX-LURJTMIESA-N	324.234	1.373	50	20	DDGD	
CCOC(=O)[C@@H](F)C1CN(C(=O)NCCSSC)C1	838586444	AOPGRJCYWDDOEM-VIFPVBQESA-N	310.416	1.540	50	20	DDGD	
O=C1O[C@H]2C[C@H]1N(C(=O)[C@@]13CC[C@@H](C[C@H]1Br)C3)C2	834021748	PYTOCGRHIQQFNZ-HQUHEKEPSA-N	314.179	1.466	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCCNC(=O)C1CC1	909050903	DIVCVNAJNVIRAZ-UKTHLTGXSA-N	300.314	1.369	50	20	DDGD	
CCO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1ccccc1F	836429735	RZEBRYIQFRGNGW-CHWSQXEVSA-N	309.341	1.727	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H](C)Cc1cnn(C)c1	837583827	LDKUHWYIQZDMDY-LLVKDONJSA-N	302.382	1.655	50	20	DDGD	
Cc1nc(O)nc(O)c1CCC(=O)NNc1c(F)cccc1F	735701538	XDEFKEKDZWFTEI-UHFFFAOYSA-N	324.287	1.550	50	20	DDGD	
C#CCCCC(=O)NN[C@H](Cc1ccc(F)cc1)C(=O)OCC	901644670	SCDNZKBEMNCYOK-OAHLLOKOSA-N	320.364	1.724	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@]1(C)CCCCO1	837309725	DKMCIBDPDQPXHQ-BDJLRTHQSA-N	324.352	1.700	50	20	DDGD	
Cc1cc(OC(F)F)c(C(=O)N2CC[C@H](B(O)O)C2)s1	585071073	LYTCIQSFQTYREQ-ZETCQYMHSA-N	305.111	1.347	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC[C@H](C)SC)c(F)c1	838526222	PNAPFBUUWZIZQQ-QMMMGPOBSA-N	315.370	1.990	50	20	DDGD	
Cn1nnc2cc(C=NNC(=O)NCC(F)(F)F)ccc21	737429737	BEGIJRUINUSGEX-UHFFFAOYSA-N	300.244	1.164	50	20	DDGD	
COc1ccc(C(=O)NN=C2C[C@H](C)n3ccnc32)c(OC)c1	834954907	DUNLJNBNQHTAEB-JTQLQIEISA-N	314.345	1.999	50	20	DDGD	
CCCCNC(=O)NN=Cc1ccc(OC)cc1OCC(=O)O	734365660	OWLBGRKFTHPULF-UHFFFAOYSA-N	323.349	1.592	50	20	DDGD	
CC(C)CN1C[C@H](C(=O)NNc2ccccc2C(=O)O)CC1=O	833489836	VCPBFJCOXOZTGE-LLVKDONJSA-N	319.361	1.332	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C/c1ccc(OCCC(=O)O)cc1	915982472	DJBMGWYZTLBTSS-KPKJPENVSA-N	308.297	1.707	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1c[nH]c(C(=O)N2CCCC2)c1	916739798	WEDURGJLCNCNDJ-UHFFFAOYSA-N	306.366	1.058	50	20	DDGD	
CCN(CC(=O)NN(C)C[C@H](C)O)Cc1ccccc1Cl	910150425	REMICYYLEWNOQO-LBPRGKRZSA-N	313.829	1.506	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCS[C@@H](c2ccccc2)C1	735494630	GKVFMAHCTVLQAI-GXTWGEPZSA-N	321.446	1.722	50	20	DDGD	
O=C1O[C@H]2C[C@H]1N(C(=O)[C@@]13CC[C@@H](C[C@@H]1Br)C3)C2	834021747	PYTOCGRHIQQFNZ-CDHFTJPESA-N	314.179	1.466	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)nc(C)n1	736718524	JHLFWFJJVYNHKP-LBPRGKRZSA-N	305.382	1.041	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C#N)cc1)[C@@H]1C[C@H]2CC[C@H]1O2	834921905	JODFMOSUFNMOPK-OWCLPIDISA-N	313.357	1.997	50	20	DDGD	
CC(C)(C)n1nnc(CC(=O)NNc2c(F)cccc2F)n1	830781984	MJHAWOKNHJOUGV-UHFFFAOYSA-N	310.308	1.392	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1ccc(O)c(C)c1	740762936	PDUXCLLNARCNNG-UHFFFAOYSA-N	305.378	1.846	50	20	DDGD	
CCc1cccc(CC)c1S(=O)(=O)NNC(=O)c1cc[nH]n1	849310711	LOGWXRMNTNVPAQ-UHFFFAOYSA-N	322.390	1.158	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1c[nH]cc1-c1ccccc1	843973403	LBSFRRDZBSKQBK-WCQYABFASA-N	313.357	1.868	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(C(C)(F)F)cc1	843663433	YPSCHGHMVQFVAM-CABZTGNLSA-N	312.316	1.984	50	20	DDGD	
C[C@H](CN)NC(=O)NNC(=O)c1cc2c(s1)CCCCCC2	841969249	KSEPQEKZNXWDJE-SNVBAGLBSA-N	324.450	1.698	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCSc1ccccc1	843639109	GHSNUHSJHXJQJI-WCQYABFASA-N	308.403	1.741	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H](O)[C@@H](C)c2ccc(C)cc2)n1	748023979	IVBBSLRTNPNOBY-FZMZJTMJSA-N	316.361	1.401	50	20	DDGD	
Cc1nc(O)c2c(n1)CN(C(=O)[C@]1(C)C[C@H]1Br)C2	913296264	YBHLDJNLKWOTKJ-BXKDBHETSA-N	312.167	1.506	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@@H](C)NC(=O)NNc1nc2ccccn2n1	840422948	FYNKEPKYMGPKIP-MEBBXXQBSA-N	318.381	1.559	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc(N(C)C)cc1	740762213	FXYQUGJKDKQSFF-UHFFFAOYSA-N	304.394	1.508	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H](C)[C@@H]2CCCNC2)c1	841928462	VFDHQAQRJWWCQW-DGCLKSJQSA-N	320.393	1.487	50	20	DDGD	
COc1ccc(-c2cc(C(=O)NN(C)[C@@H](C)CO)no2)cc1	911444728	IEUHTQOOXUKLJV-JTQLQIEISA-N	305.334	1.308	50	20	DDGD	
COCCOCCN1CCN(/C(=C\C#N)c2ccccc2)CC1	844467079	JFIUQIFMYIAIFJ-WSVATBPTSA-N	315.417	1.832	50	20	DDGD	
CCn1ccc(CC(=O)NNc2ccc(C(=O)OC)cc2F)n1	846251037	AGYRZKFTEGIVRV-UHFFFAOYSA-N	320.324	1.515	50	20	DDGD	
CCC(=O)NN=Cc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O	744665783	SJEQHXHZWALDRA-UHFFFAOYSA-N	321.340	1.821	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1ccccc1Cl	842585494	AUKMKOHKPJAMBV-DTWKUNHWSA-N	318.782	1.075	50	20	DDGD	
O=C(COc1ccccc1F)NN=Cc1ccc(C(=O)O)[nH]1	749813301	YIRXTRWSNZKLLQ-UHFFFAOYSA-N	305.265	1.381	50	20	DDGD	
CCNC(=O)NNC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2	920858240	UJGIVNAPCDFWJW-UHFFFAOYSA-N	306.366	1.442	50	20	DDGD	
O=C(NN=Cc1cnc(C2CC2)nc1)c1ccc2c(c1)OCO2	841602719	AIURUVPDMCAZJY-UHFFFAOYSA-N	310.313	1.847	50	20	DDGD	
CC[C@H](C)Oc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)ccn1	843660011	JKYLDPOSZQJUNF-DMDPSCGWSA-N	321.377	1.445	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=C1CCN(CCC(F)(F)F)CC1	842560164	FGEWFELYPHZNHI-ZYHUDNBSSA-N	321.343	1.932	50	20	DDGD	
Cn1ccnc(NNC(=O)c2ccccc2Br)c1=O	747938747	YUKCXGQITLENBF-UHFFFAOYSA-N	323.150	1.300	50	20	DDGD	
Cn1c(C(=O)NNC(=O)NC2CC2)ccc1-c1ccc(F)cc1	749172984	IKPZRLOURFMXIM-UHFFFAOYSA-N	316.336	1.938	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=C2CCCN(C)CC2)n1	758092419	RQKNKEXSQZTNIL-UHFFFAOYSA-N	321.450	1.773	50	20	DDGD	
C[C@H]1CCN(C(=O)NNC(=O)c2cccc(F)n2)CCS1	852710765	WCPFYCWXTLDIBF-VIFPVBQESA-N	312.370	1.403	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC2CC(C)C2)cc1OC	753020841	LNADWHOQHLFPEZ-UHFFFAOYSA-N	307.350	1.446	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)Cc1cccnc1)OCO2	758874413	VCDAYMHJERNHKZ-UHFFFAOYSA-N	313.313	1.512	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(CCCS(N)(=O)=O)C1	852524169	HGAHBONGABWBBA-GFCCVEGCSA-N	322.547	1.761	50	20	DDGD	
CCO[C@H](C)C(=O)NNC(=S)NCCc1cccs1	753077323	JIAMUHPSFCNGQS-SECBINFHSA-N	301.437	1.211	50	20	DDGD	
Cc1nnc(NC(=O)NNC(=O)COCc2ccccc2)s1	755428662	VPFIERKELSESBX-UHFFFAOYSA-N	321.362	1.216	50	20	DDGD	
C[C@@H](CCc1ccco1)NC(=O)NNC(=O)c1cccc(F)n1	851922453	AXVYGCFJZMCYFL-JTQLQIEISA-N	320.324	1.779	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CCOc2ccc(C(C)C)cc21	920373048	OIHHQLCVEMQCTB-UHFFFAOYSA-N	317.389	1.937	50	20	DDGD	
CC(=O)N[C@H](CC(C)C)C(=O)NNC(=O)c1ccccc1C	858153277	KAFIMONUHOZXKY-CQSZACIVSA-N	305.378	1.307	50	20	DDGD	
O=Cc1cccc(OCC(=O)NNC(=O)OCC(F)(F)F)c1	856023822	XIFMDKLJDROSNE-UHFFFAOYSA-N	320.223	1.198	50	20	DDGD	
CSC(C)(C)C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	854185475	XZLPBYNAHONVGJ-UHFFFAOYSA-N	318.402	1.979	50	20	DDGD	
CC(=O)NC1CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CC1	751760140	OKSOWVGDZYFYOZ-UVTDQMKNSA-N	315.348	1.860	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)CCCOC(C)(C)C	854285493	MBJMTRSPVNOXCB-UHFFFAOYSA-N	319.471	1.456	50	20	DDGD	
CCN1CCO[C@@H](C(=O)OC[C@@H](CBr)C2CC2)C1	859571329	PVFJXWRYJFCKFO-VXGBXAGGSA-N	320.227	1.671	50	20	DDGD	
CC(=O)c1cc(C(=O)NNc2cnnn2C)ccc1OC(C)C	857270042	MLGZDTLTDHOMPF-UHFFFAOYSA-N	317.349	1.562	50	20	DDGD	
C/C(=C\C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)c1ccco1	854516963	VBCGQFJAOJVEIX-ZKQHCESOSA-N	312.391	1.175	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CCC(=O)N(c2cccc(F)c2)C1	854408895	CCKDAUZOJNZUIB-JTQLQIEISA-N	323.324	1.298	50	20	DDGD	
C[S@](=O)c1cccc(NC(=O)NNC(=O)c2ccc[nH]2)c1	756528790	ZIVSMCXCFRTQDW-NRFANRHFSA-N	306.347	1.219	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCC(=O)N1CCCCC1	853356378	FCRUNKDFXRTCAX-UHFFFAOYSA-N	308.357	1.773	50	20	DDGD	
COc1cc(NNC(=O)[C@@H](C)[C@@H]2CCC(=O)N2)ccc1Cl	861401962	KZCMNIFPDFXODG-KWQFWETISA-N	311.769	1.706	50	20	DDGD	
COCCOCC(=O)NNC(=O)C[C@@H]1CCCCC1(C)C	869908686	UVHLQSHUVLBNAL-LBPRGKRZSA-N	300.399	1.403	50	20	DDGD	
Nc1c(Cl)ccc(C(=O)N2CC[C@@H](B(O)O)C2)c1Cl	864232326	ZUAUWSWUQYCTPW-ZCFIWIBFSA-N	302.954	1.265	50	20	DDGD	
C[C@H](NNC(=O)CCCc1nc(C2CC2)no1)C(F)(F)F	862313745	NPBZKHFPFYQOHQ-ZETCQYMHSA-N	306.288	1.841	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C2=CCCC2)cc(OC)c1OC	760234444	IVBSVSAFNQXUSA-UHFFFAOYSA-N	320.345	1.584	50	20	DDGD	
CCCOc1ccc(NC(=O)NNC(=O)COC)cc1OC	861665703	XGADWSVMUHIVMQ-UHFFFAOYSA-N	311.338	1.283	50	20	DDGD	
CCS(=O)(=O)c1ccc(C(=O)NN[C@H](C)C(F)(F)F)cc1	862308730	GVTOOGGOOQGCQU-MRVPVSSYSA-N	324.324	1.665	50	20	DDGD	
C[C@H](NNC(=O)CCNC(=O)c1ccsc1)C(F)(F)F	862305053	IQZVLYQGQHOANX-ZETCQYMHSA-N	309.313	1.440	50	20	DDGD	
O=C1CSC[C@@H](C(=O)NNc2cc(Cl)cc(Cl)c2)N1	935625095	UXEJFWGEJKHHAG-VIFPVBQESA-N	320.201	1.668	50	20	DDGD	
COc1ccsc1C=NNC(=O)[C@@H](C)CN1CCOCC1	764668257	YTVZANHZWYLAAN-NSHDSACASA-N	311.407	1.175	50	20	DDGD	
COc1ccnc(NNC(=O)CCN(C)C2CCCCC2)n1	769687076	ATRPAUICMYMJMG-UHFFFAOYSA-N	307.398	1.583	50	20	DDGD	
C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2ccc(B(O)O)cc2)C1	868314398	UKJGTMWXJCCSIP-CXAGYDPISA-N	309.174	1.590	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C2CCS(=O)CC2)c1	761801505	MYMRMPFQFALIMU-UHFFFAOYSA-N	310.375	1.332	50	20	DDGD	
COCCOCC(=O)NNC(=O)CCc1ccc([C@H]2C[C@H]2C)o1	869912689	WOTCRDKCSUZCBM-YPMHNXCESA-N	324.377	1.146	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cc(Cl)cc(Cl)c1F	867672108	BJAHYEMOOROLGU-UHFFFAOYSA-N	309.124	1.664	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)c1ccccn1)c1ccccc1F	760035505	ABOZKZWBJWKVKF-INIZCTEOSA-N	317.320	1.544	50	20	DDGD	
CC[C@H](OC1CCCC1)C(=O)NNC(=S)NCCSC	769764998	GRKVEYLFXFJNFY-NSHDSACASA-N	319.496	1.583	50	20	DDGD	
CN1C(=O)[C@@H]2CN(CCO[Si](C)(C)C(C)(C)C)C[C@@H]2C1=O	879535466	NXPFBPRQQVBFTA-TXEJJXNPSA-N	312.486	1.555	50	20	DDGD	
O=C(CN1CCCCS1(=O)=O)NNc1cccc(Cl)c1	878065624	ZLUMUJBFKHMIEZ-UHFFFAOYSA-N	317.798	1.209	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H](C)OCCC=C)c1	874949748	CDMRMTXYZVVYIQ-LBPRGKRZSA-N	317.414	1.967	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)NNC(=O)c1cccnn1)C(F)(F)F	879383520	NPAVLQFZRDXPBX-CBAPKCEASA-N	319.287	1.398	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)COc2ccc(C#N)cc2)C1	776339563	USIGRHFOFSTAAE-WCQYABFASA-N	301.346	1.521	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1sc(C)cc1OC	772134906	JJBRCSGBEDBYLN-QMMMGPOBSA-N	314.363	1.168	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)c1nccs1	770678004	BROOFIVZJXMPIX-UHFFFAOYSA-N	309.372	1.402	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCC[C@@H](C)C1	772160397	VZLCFMYMWQCEAB-AGIUHOORSA-N	312.410	1.938	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(F)c(F)c1)N1CCSCC1	885113055	NFOGFDYERSGUKL-SECBINFHSA-N	301.362	1.845	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](O)Cc1ccccc1Cl	776226464	GKPABHKPGAGKSW-NSHDSACASA-N	322.752	1.185	50	20	DDGD	
CC[C@@H](C)[C@H](C)C(=O)NNC(=O)Cn1cnc2ccccc21	779868211	WQHASSLHPUEVKY-NEPJUHHUSA-N	302.378	1.866	50	20	DDGD	
CO[C@H](CC(=O)NNC(=O)c1ccc(C)c(O)c1)C(F)(F)F	882051011	FCFBFJIOKUJUJI-SNVBAGLBSA-N	320.267	1.429	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H](C(=O)NNC(=O)C2CCOCC2)C1(C)C	883068683	FAKDDIAPMVAMCH-JQWIXIFHSA-N	310.394	1.202	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H]2CCO[C@H](C)C2)cn1	776345456	SPLANQYSQNQBEC-NXEZZACHSA-N	324.406	1.223	50	20	DDGD	
CC(C)C(=O)NC[C@H]1CCCN(S(=O)(=O)CCCCl)C1	881852684	BJQFSWHSSCXZSU-GFCCVEGCSA-N	324.874	1.429	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NN=C1CCCOCC1	770592070	QBCNLJGBNIOQCN-UHFFFAOYSA-N	307.306	1.646	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc2nc(S)oc2c1	883063994	KRYIVBGHYKDWMW-UHFFFAOYSA-N	321.358	1.304	50	20	DDGD	
O=C1C[C@H](NS(=O)(=O)CCCCl)CN1c1ccccc1	881817457	PDUZAANDELSAPW-NSHDSACASA-N	316.810	1.340	50	20	DDGD	
O=C1COc2ccc(C=NNC(=O)c3ccccc3O)cc2N1	788698266	XGYLWOXDRDNEAJ-UHFFFAOYSA-N	311.297	1.487	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)NCc2ccc(Cl)cc2)[nH]1	787432857	FOXGDVSRGBSGEO-UHFFFAOYSA-N	307.741	1.516	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCC(C)CC2)cc1O	882049442	UMKSQBQMCJQFES-UHFFFAOYSA-N	305.378	1.194	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)N1C[C@H]2C=C[C@H]1C2	883461150	OSQQVMLFJHPJML-STQMWFEESA-N	301.346	1.457	50	20	DDGD	
COCCCOc1cccc(NC(=O)NNC(=O)C(C)C)c1	782583351	RQHFKKCMQSNXIZ-UHFFFAOYSA-N	309.366	1.911	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCCCC1)c1nccnc1C	783514270	LOCAUYKLDKBTQM-LBPRGKRZSA-N	303.410	1.747	50	20	DDGD	
O=C(NNC(=O)N1CCCc2sccc2C1)c1cccnn1	883850499	YRDYHRGZQKYUQG-UHFFFAOYSA-N	317.374	1.341	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC(C(N)=O)C2)c1C	1123947394	RUENVUPFIUCMQW-VGOFMYFVSA-N	314.389	1.366	50	20	DDGD	
N#Cc1cccc(-c2cc(C(=O)NNC(=O)NC3CC3)on2)c1	789909871	MTTSXBAZCSEBBZ-UHFFFAOYSA-N	311.301	1.320	50	20	DDGD	
COc1ccc(NNC(=O)c2c3c(nn2C)CCCC3)nc1	781534838	RAGVSVSUMQRJEI-UHFFFAOYSA-N	301.350	1.459	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc3c(c2)NC(=O)CO3)n1	780768316	MPVSYTLHXWXWAN-UHFFFAOYSA-N	314.301	1.178	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)C2CCOCC2)c(F)c1	883067876	YKJFHSKFRDCMIW-UHFFFAOYSA-N	308.309	1.216	50	20	DDGD	
O=C(NCc1cccc2c1OCCO2)NNC(=O)C1CCC1	899095071	MIOVENLQJYRKLS-UHFFFAOYSA-N	305.334	1.088	50	20	DDGD	
Cn1nc([C@H]2CCCO2)cc1NC(=O)NNc1ncc(F)cn1	788725467	JDNHELUTPPPSKB-SNVBAGLBSA-N	321.316	1.349	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1	783812238	POKYOGWMLJBIGF-LBPRGKRZSA-N	307.306	1.645	50	20	DDGD	
CN1CCc2cc(C(=O)NNC(=S)NC(C)(C)C)ccc21	899996534	XHXWWIOBZAFLJU-UHFFFAOYSA-N	306.435	1.586	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cc(F)c(F)c(F)c1	894102818	BDYRLKKVXDAEBN-UHFFFAOYSA-N	302.252	1.292	50	20	DDGD	
O=C(CN1CCC[C@H]1/C=C\c1ccccc1)NNC(=O)C1CC1	780396910	CVRMOWBYNOFCDH-CLOOOTJHSA-N	313.401	1.722	50	20	DDGD	
C[C@@H]1CCC[C@H](C(=O)NNc2ccccc2S(N)(=O)=O)C1	788228641	NZTDYBDXHINYCD-MNOVXSKESA-N	311.407	1.603	50	20	DDGD	
Cn1cc(NC(=O)NNC(=O)C2CCC2)c(C(F)(F)F)n1	782818525	SEWHDBPFJNWESR-UHFFFAOYSA-N	305.260	1.392	50	20	DDGD	
Cc1cnc(C(=O)NNc2nc(-c3cccnc3)no2)c(C)c1	780474172	GSNZQMJZLCJMDL-UHFFFAOYSA-N	310.317	1.900	50	20	DDGD	
O=C(C[C@H](O)c1cccc(F)c1)NNc1ncncc1Cl	781830311	SXSWCEMQYSZYQM-NSHDSACASA-N	310.716	1.836	50	20	DDGD	
C[C@@H](NNC(=O)Cc1ccn(CC(F)(F)F)n1)C(F)(F)F	899145641	APMIFPKJAZNGEB-ZCFIWIBFSA-N	318.221	1.560	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1cc2ccccc2c(=O)o1	788266101	TYVCTTRHEISIKS-UHFFFAOYSA-N	324.292	1.573	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1cc(Cl)cc2c1OCC2	782901060	HIILTWRHQSAPCM-UHFFFAOYSA-N	321.764	1.347	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C1CCN(CC(F)F)CC1	899997425	SHOJUXREHSZYNU-UHFFFAOYSA-N	322.425	1.257	50	20	DDGD	
COc1cc(C(=O)NN=C2C(=O)OC[C@@H]2C)ccc1OC(C)C	794883354	YGYHJUGQHDFXIT-JTQLQIEISA-N	320.345	1.761	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@@H](O)Cc1ccccc1	793682587	OZNUPCGSTGQOPP-LBPRGKRZSA-N	314.370	1.738	50	20	DDGD	
COc1cc(NNC(=O)CN2CCCCC2=O)ccc1Cl	790176491	XFRVRJPSOYEVBJ-UHFFFAOYSA-N	311.769	1.804	50	20	DDGD	
COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@@H](Br)C(C)(C)C	794211405	BDBYVZFSOGUPQD-XHNCKOQMSA-N	324.190	1.908	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)c2cccc(C)n2)cc1F	794075614	ODPYTAINFFMGTC-UHFFFAOYSA-N	317.320	1.541	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCc1cccc(OC)c1F	795588326	RLYIIJKGBKAVSW-UHFFFAOYSA-N	311.357	1.897	50	20	DDGD	
CN(C)N(C(=O)c1cccc2[nH]ccc12)[C@@H]1CCS(=O)(=O)C1	792856087	WWBXDRHOQOQAKK-LLVKDONJSA-N	321.402	1.274	50	20	DDGD	
CC(=NNC(=O)[C@H]1COc2ccccc2O1)c1cc(C)n(C)n1	799866618	MWRCGPNRXIPMEM-OAHLLOKOSA-N	314.345	1.409	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2cc[nH]c2C)cc1C	798309559	IBLZKSSGTHMQDV-UHFFFAOYSA-N	314.345	1.340	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=CCC1CCCCCC1	799111418	CBEPVSQGUQGKHH-NSHDSACASA-N	303.428	1.387	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CC(=O)N(CC2CC2)C1	790266236	FYIUYSYOFBLAED-LLVKDONJSA-N	317.227	1.834	50	20	DDGD	
COCCCNC(=O)NNC(=O)C1(c2cccc(OC)c2)CC1	795588393	OKRLTVXNUCAULE-UHFFFAOYSA-N	321.377	1.094	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@@H]2Cc3ccc(F)cc32)c1	793420245	YKSHKFGGSWHSDE-OAHLLOKOSA-N	309.300	1.798	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)Cn1ccc2ccccc21	793438972	HPXQAUYHNSDUSN-WBMJQRKESA-N	317.389	1.850	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)C(=O)Nc1cncc(F)c1	799261367	AEJSDRHMXOZLLF-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CC[C@]1(C)CCC(=O)N1	793331910	XVEMKEXSSJAIRM-HNNXBMFYSA-N	322.317	1.958	50	20	DDGD	
CO[C@H](C)c1nc(CNC(=O)NNC(=O)c2ccc[nH]2)cs1	1319160461	QPZASKDVDDKWSI-MRVPVSSYSA-N	323.378	1.323	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N[C@H]2CCC[C@@H](F)C2)cc1	1328118567	BIOKEPBOJXGPBS-OLZOCXBDSA-N	304.325	1.783	50	20	DDGD	
COC[C@@H]1CN(S(=O)(=O)c2ccc(CCl)cc2)CCO1	705850367	ILZXIVAZKPFYDQ-LBPRGKRZSA-N	319.810	1.461	50	20	DDGD	
CC(C)(C)CCNC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1328932137	ZDISFTYANVAGOF-NOZJJQNGSA-N	319.243	1.829	50	20	DDGD	
NC1CCC(NC(=O)NNC(=O)c2ccccc2Cl)CC1	1325680197	AYZWYINOQQPCEF-UHFFFAOYSA-N	310.785	1.554	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1n[nH]c2c1CCCC2	1328656110	MMIRNFKGFHOFTE-NTZNESFSSA-N	314.389	1.652	50	20	DDGD	
C=C[C@@H](COC)NC(=O)NNc1ncc(Br)cn1	1326777632	OGMNNVUQKTUOFX-QMMMGPOBSA-N	316.159	1.066	50	20	DDGD	
Cc1ccc(NNC(=O)CN2CCCS2(=O)=O)cc1Cl	1248719594	ZNVSSPMQHQRJTD-UHFFFAOYSA-N	317.798	1.127	50	20	DDGD	
O=C(NN=Cc1ccc(O)c(F)c1)c1n[nH]c2c1CCCC2	1322998802	LFSHFVHUQMUWJP-UHFFFAOYSA-N	302.309	1.897	50	20	DDGD	
CSCC[C@H](O)C(=O)NNC(=O)c1ccccc1Cl	1253864194	RFSMOXOZPQJVBT-JTQLQIEISA-N	302.783	1.215	50	20	DDGD	
O=C(CO[C@@H]1CCOC1)NNc1cc(Cl)ccc1[N+](=O)[O-]	1330677684	SWDXWCNJWBTPHS-SECBINFHSA-N	315.713	1.497	50	20	DDGD	
C[C@@]1(CNc2ccc(S(N)(=O)=O)cc2)C[C@@H]1Br	1336685571	HZXQSKPNDNKMLV-QWRGUYRKSA-N	319.224	1.919	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)C2CCOCC2)[C@H](C)C1	1333216591	YHMZYSAVDCWQRX-YPMHNXCESA-N	310.394	1.885	50	20	DDGD	
CC(C)C(=O)N1CCC(C(=O)NNc2ccc(C#N)cn2)CC1	1333073181	GLNOXQJCHQAXNY-UHFFFAOYSA-N	315.377	1.291	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)NC(C)C)nc(C(F)(F)F)n1	1338421915	KIAPQPFRPQRBRV-UHFFFAOYSA-N	321.328	1.321	50	20	DDGD	
O=C(CCl)Nc1ccc(CC(=O)N2CCSCC2)cc1	1341509296	ATGAEEDNUFZEDI-UHFFFAOYSA-N	312.822	1.982	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)c1	1346805940	DTWYEEWVGJAZLO-BFHYXJOUSA-N	319.361	1.024	50	20	DDGD	
CC(=NNC(=O)c1nnc(-c2ccccc2)o1)c1ccnc(C)n1	1343643749	SXYPUFDXIOMPJH-UHFFFAOYSA-N	322.328	1.989	50	20	DDGD	
COc1c(Br)cccc1C(=O)NN(C)C[C@@H](C)O	1521660260	OWHKGCBJPPESSJ-MRVPVSSYSA-N	317.183	1.415	50	20	DDGD	
C[C@@H]1CN(C(=O)C2CCC(Cl)CC2)[C@H](C)CN1CCO	1520239018	FTRGMWWBWDISRE-IWMBGFJWSA-N	302.846	1.698	50	20	DDGD	
C[C@@H]1CNCC[C@@H]1NC(=O)NNc1ccc(C(=O)O)c(F)c1	1604815608	TTXHCIZSWOERGK-PELKAZGASA-N	310.329	1.148	50	20	DDGD	
Cn1cc(CCC(=O)NNc2ccc(C(=O)O)cc2F)cn1	1600947968	BMFHKBZTONLHQQ-UHFFFAOYSA-N	306.297	1.333	50	20	DDGD	
Cc1oc(C=NNC(=O)c2n[nH]c3c2CCCC3)cc1C(=O)O	1600837843	CFZVQQVKWDNEJJ-UHFFFAOYSA-N	316.317	1.652	50	20	DDGD	
C[C@H]1CCCN(C(=O)C(=O)NNc2cccc(C(=O)O)c2F)C1	1609853299	WSJXVNBICAFQAO-VIFPVBQESA-N	323.324	1.226	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc(C(=O)O)c(C)c2)n[nH]1	1600095087	BVKLKBJXRSPIEJ-UHFFFAOYSA-N	317.305	1.191	50	20	DDGD	
CC(C)CN(C)CCCNC(=O)NNc1cccc(C(=O)O)c1	1603803075	NBKQNSMENXETCE-UHFFFAOYSA-N	322.409	1.989	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1ccn(-c2ccncc2)n1	1605820962	OJOWSYFXAXLXLG-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
C[C@]1(C(=O)N2C[C@@H](C(=O)O)[C@H](C3CC3)C2)C[C@H]1Br	1604486431	WJFJNRSPVFKYES-WTBMIXGQSA-N	316.195	1.729	50	20	DDGD	
Cc1ccc(S(=O)(=O)NCC(Cl)Cl)c(C(=O)O)c1	1607819504	KHOXXYNWEYMZOJ-UHFFFAOYSA-N	312.174	1.775	50	20	DDGD	
O=C(O)c1ccc2cc(CCNS(=O)(=O)CCl)oc2c1	1602428667	XZEDWNVXUIXZLB-UHFFFAOYSA-N	317.750	1.789	50	20	DDGD	
Cc1cc(C(=O)O)ccc1NC(=O)NNC(=O)c1c[nH]nc1C	1607596871	DJOITBGBALQMGA-UHFFFAOYSA-N	317.305	1.191	50	20	DDGD	
Cc1cc(C)c(C(=O)NNc2cccc(C(=O)O)c2F)c(O)n1	1600152517	FXJYMYFAQXXNFY-UHFFFAOYSA-N	319.292	1.998	50	20	DDGD	
Cc1c(NNC(=O)c2cnn3c2CCCC3)cccc1C(=O)O	1600055487	UVLCCEAHCOFPBP-UHFFFAOYSA-N	314.345	1.983	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)O)CCC1)c1nc2ccccc2s1	1605814784	TWJBOHGRMCWXJM-UHFFFAOYSA-N	319.342	1.312	50	20	DDGD	
CN1CCC(CC(=O)NNc2ccc(-c3nn[nH]n3)cc2)CC1	1604854429	PLEMENOLOLXKFG-UHFFFAOYSA-N	315.381	1.042	50	20	DDGD	
N#Cc1ccc(C(=O)NN[C@H](C(=O)O)c2ccsc2)cc1	1610626137	CUGORRAKOVCJSM-LBPRGKRZSA-N	301.327	1.680	50	20	DDGD	
Cc1nn(C)c(C)c1OCC(=O)NNc1cccc(C(=O)O)c1	1610569102	ZHLHQRJMTRSUEU-UHFFFAOYSA-N	318.333	1.257	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1cccc(F)c1	1549319388	HSMLGECWDLQWII-GDBMZVCRSA-N	319.380	1.919	50	20	DDGD	
CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](F)Cl)CC2	1814210269	HNEFKMCWYDYRPR-HZGVNTEJSA-N	305.762	1.609	50	20	DDGD	
C=C(Cl)C[C@H](N)C(=O)NNC(=O)c1cc2c(s1)CCC2	1574857213	OMRJJCVXMLJKRE-VIFPVBQESA-N	313.810	1.468	50	20	DDGD	
CNNC(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C	1578741119	DKWKDROYPWNING-CKNOQMABSA-N	302.378	1.442	50	20	DDGD	
CC(=NNC(=O)c1ccncc1)c1cccc(-c2nn[nH]n2)c1	1588776407	MAHCCIPLXKRVCU-UHFFFAOYSA-N	307.317	1.416	50	20	DDGD	
Cc1ccoc1C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843363397	BDOZJRKTKHHPKF-NSHDSACASA-N	314.744	1.939	50	20	DDGD	
N[C@H](Cc1cc2ccccc2o1)C(=O)NNC(=O)c1ccncc1	1580134064	HDCZBNZBOOXKDB-CQSZACIVSA-N	324.340	1.159	50	20	DDGD	
CN(C(=O)/C(C#N)=C\c1cnn(C)c1)[C@H](C(=O)O)c1ccccc1	1597990467	NQUJPVSALIEAHH-OWTLUSIOSA-N	324.340	1.611	50	20	DDGD	
CO[C@@]1(C(=O)NNc2cccc(C(=O)O)c2F)CCSC1	1599063286	FJMNVFLMSJSVTK-ZDUSSCGKSA-N	314.338	1.489	50	20	DDGD	
CC[C@@H](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	1590404707	XGDVBWVHHYKTQB-SECBINFHSA-N	302.338	1.064	50	20	DDGD	
CCCC[C@@H](CC)C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1590578018	LGXZAIGAZBIZTM-SNVBAGLBSA-N	303.370	1.921	50	20	DDGD	
CC(C)(CCNC(=O)NNc1cccc(C(=O)O)c1)C(=O)O	1590679390	ALMPIQWVKJEYOL-UHFFFAOYSA-N	309.322	1.512	50	20	DDGD	
O=C(NNC(=O)[C@@H](C(=O)O)C1CCCC1)c1ccccc1F	1594779620	VDQMGECGBMJCHR-LBPRGKRZSA-N	308.309	1.478	50	20	DDGD	
O=C(CCc1cccnc1Cl)NNc1ncccc1C(=O)O	1594689169	IKSIWVXAKVBIBP-UHFFFAOYSA-N	320.736	1.904	50	20	DDGD	
CN(C)C(=O)NN=Cc1ccc(-c2ccc(O)c(C(=O)O)c2)o1	1776039931	XIFOZJXENLLQGK-UHFFFAOYSA-N	317.301	1.956	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1ccc(CCC(=O)O)o1	1776029423	QCNVBKUANPUTAG-UHFFFAOYSA-N	322.346	1.408	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2ccc(C(=O)O)c(O)c2)cc1	1776021070	UZZFRJMRVKARIN-UHFFFAOYSA-N	314.297	1.863	50	20	DDGD	
CCC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl	1796810596	QYWNXRRCTMXJBZ-PKIKSRDPSA-N	304.749	1.138	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)Cc2cccnc2)c1	5336839	FLTRDLAASPOKLU-UHFFFAOYSA-N	313.357	1.467	50	20	DDGD	
Cc1ccc(OCCCC(=O)NNC(=O)[C@@H]2CCCO2)c(C)c1	150965953	FZZVDYRXJDPXFV-HNNXBMFYSA-N	320.389	1.789	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccccc2[N+](=O)[O-])o1	152947766	SHTHZYRVGBYUAH-UHFFFAOYSA-N	305.246	1.731	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C[C@H](C)c1c(C)n[nH]c1C	153475907	OAHIHRYIRVLQTP-ZETCQYMHSA-N	304.354	1.013	50	20	DDGD	
CC(C)Cn1ncc(C(=O)NNC(=O)[C@@H]2CCCO2)c1C1CC1	153501906	YKENMKOQVOGVEU-ZDUSSCGKSA-N	320.393	1.357	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NCC1(C2CC2)CC1	157588983	YHDAVJGMLZJITB-UHFFFAOYSA-N	317.389	1.724	50	20	DDGD	
CN(Cc1cc(Cl)cn1C)C(=O)NNC(=O)C(C)(C)C	154945210	LIRKUOHHWMXZIB-UHFFFAOYSA-N	300.790	1.897	50	20	DDGD	
COc1ccc(NNC(=O)CCc2nnc(C(C)C)o2)nc1	159621186	ALJPIHQZBULXAD-UHFFFAOYSA-N	305.338	1.673	50	20	DDGD	
C[C@H](OC1CCCCCC1)C(=O)NNC(=O)c1cccn1C	159292675	QGPMLPRNENKMLA-LBPRGKRZSA-N	307.394	1.914	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1c[nH]c(=O)c(C)c1	159562974	AXQJORQQMAMTMY-UHFFFAOYSA-N	308.769	1.988	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NNC(=O)CC(C)C)cc1	7386693	XMFRUIJJWJPFPN-UHFFFAOYSA-N	300.380	1.441	50	20	DDGD	
C=CCNC(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1	10035478	WCEFIKBBSUWIPM-UHFFFAOYSA-N	307.350	1.612	50	20	DDGD	
CCO[C@@H](C)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	103523342	YEPRKAWVFUNDPH-QMMMGPOBSA-N	322.333	1.551	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cc(C)c(OC)cc1C	55617212	YGQQFVURZFXXMH-VIFPVBQESA-N	314.407	1.668	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1	103200058	VTGYKCPFUHZYPJ-NSHDSACASA-N	309.410	1.361	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cc(F)c(F)cc1F	105590783	LQMDVJCZPRJFNV-LURJTMIESA-N	310.297	1.460	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1cnn(CC(F)(F)F)c1	179865544	SUOBHDPDZGUWOW-UHFFFAOYSA-N	307.276	1.644	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@H]2CCCO[C@H]2C(C)C)o1	177304123	DQOVAVQKLSPAEO-JSGCOSHPSA-N	323.393	1.983	50	20	DDGD	
Cn1c(NNC(=O)c2ccsc2)nc2ccccc2c1=O	113188460	QMBPGIXYZDNEBC-UHFFFAOYSA-N	300.343	1.752	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)cc1)NNc1ccc(Cl)nn1	172441677	YGWCDRUGVAWXIS-UHFFFAOYSA-N	323.715	1.142	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C(C)(C)C)ccc1C(=O)N(C)C	179873848	HZHSWQSJBVYRBL-UHFFFAOYSA-N	320.393	1.896	50	20	DDGD	
O=C(Cc1c[nH]c2ccc(F)cc12)NNC(=O)c1ccncc1	115314361	XTQBRNXEZJFKGH-UHFFFAOYSA-N	312.304	1.706	50	20	DDGD	
O=C(CNC(=O)OCC(F)(F)F)NNc1ccc(F)cc1	110619943	VLDCVACMAUSLJK-UHFFFAOYSA-N	309.219	1.557	50	20	DDGD	
O=C(CCc1c[nH]c2ccccc12)NNC(=O)NCC1CC1	65197536	RTMHMTGCOITJEC-UHFFFAOYSA-N	300.362	1.841	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2c(=O)[nH]1)NC1CCCC1	65920537	AVXHWTXGUMEQGM-UHFFFAOYSA-N	314.345	1.415	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)CCc2ccccc2O)ccc1C#N	171565171	BHQPZFDQUJTKRE-UHFFFAOYSA-N	324.340	1.361	50	20	DDGD	
CN(C)c1cccc(C(=O)NN[C@H](C(N)=O)c2ccccc2)c1	26224107	DLYDCPMVYIMVIV-HNNXBMFYSA-N	312.373	1.214	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(C)n2C)c1	25977727	XPIGZMAWEGLJMQ-UHFFFAOYSA-N	317.345	1.426	50	20	DDGD	
O=C(NNC(=O)c1cnn(-c2ccccc2)n1)NC1CCCC1	65920355	KVRNLHWPSRXSLU-UHFFFAOYSA-N	314.349	1.154	50	20	DDGD	
C[C@H]1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C	177872215	KKAIEILQYJTNSF-WDEREUQCSA-N	320.349	1.086	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)CCCS(C)(=O)=O	181272150	LENHISHRRMRMNF-UHFFFAOYSA-N	321.402	1.811	50	20	DDGD	
COc1ncc(C)cc1NC(=O)C(=O)NNc1cccc(F)c1	120815953	SAWRPYGKAOUAFX-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
CCCC[C@@H]1CCC[C@H]1NC(=O)NNC(=O)C(=O)N1CCCC1	69882472	ZGJZVZIJYYSFCE-CHWSQXEVSA-N	324.425	1.298	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)NC2CCCC2)c1	68283790	KOQPKBSSOGEOEH-UHFFFAOYSA-N	305.378	1.901	50	20	DDGD	
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NNc1ccccc1	66609847	AHZLOVWLTUOZDF-UHFFFAOYSA-N	314.301	1.468	50	20	DDGD	
CN(C)C(=O)[C@H](NNC(=O)c1ccc(C#N)cc1)c1ccccc1	172085810	AIHJIPQNDMCNTJ-MRXNPFEDSA-N	322.368	1.622	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)CC[C@H]2CCCO2)c1	78465256	ULFDAFNYNGZSKB-CQSZACIVSA-N	320.389	1.789	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCc2ccco2)cc1F	122839755	KHXPJZVSZLBMPX-UHFFFAOYSA-N	307.281	1.572	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2cccc(-n3cnnn3)c2)c1	127704149	RAGPEDDIILEIRC-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cccc(Oc2ccccc2)c1	75653139	ZNBXGLSXHRVLBD-UHFFFAOYSA-N	313.357	1.802	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H](C)Cc2cccs2)n1	79414185	LDBHWVQUDGDQGZ-SECBINFHSA-N	307.379	1.804	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@H]1Cc2ccccc2O1	132745139	ZCEYBXHAWHSZCZ-OAHLLOKOSA-N	314.316	1.519	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)C[C@@H]1CCCOC1	195072071	LPMHHAVYRGBBSG-LBPRGKRZSA-N	316.361	1.220	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)C1(O)CCCCC1	86559021	UHWOPZFWWPVFBH-UHFFFAOYSA-N	316.361	1.099	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H]2C[C@@H](O)C2(C)C)cc(C#N)n1C	190479907	VDLJBFZCYWVOJL-MXFNADPWSA-N	312.373	1.388	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C[C@@H](O)c2ccc(Cl)cc2)[nH]n1	89345061	WJUAXHPFENIULF-GFCCVEGCSA-N	322.752	1.256	50	20	DDGD	
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NNC(=O)N(C)C	194930230	HMVFFQIBRPPHEU-AWEZNQCLSA-N	316.361	1.253	50	20	DDGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cccc[n+]1[O-]	190162756	QOHDCAOKNBWBDJ-UHFFFAOYSA-N	313.235	1.976	50	20	DDGD	
CN(C)Cc1ccc(C(=O)NNC(=O)Cc2ccncc2)cc1	81026073	FHALIVHCOWWCAU-UHFFFAOYSA-N	312.373	1.147	50	20	DDGD	
Cc1c(C(=O)NNC(=O)N2CCOCC2)oc2c(C)cccc12	194905837	KSYPBCYPELYJDR-UHFFFAOYSA-N	317.345	1.736	50	20	DDGD	
O=C(C[C@H]1CCCOC1)NNC(=O)c1cc(Cl)ccc1O	195247455	DYJNKYHMFBZVOB-SECBINFHSA-N	312.753	1.623	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)C1(c2cccc(Cl)c2)CC1	44604954	DTESFWICSMYLGW-UHFFFAOYSA-N	323.780	1.044	50	20	DDGD	
COc1cccc(C)c1NC(=O)NNC(=O)Cc1cc[nH]n1	195046886	XOMYEJZYQYEMNX-UHFFFAOYSA-N	303.322	1.122	50	20	DDGD	
Cc1cc2c(cc1C)[C@H](C(=O)NNc1nc3ccccn3n1)CO2	191887771	SXGKXLOVCDDUPA-CYBMUJFWSA-N	323.356	1.965	50	20	DDGD	
CCOC1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)CC1	193784767	WHFPZQIBRCUQKA-UHFFFAOYSA-N	323.368	1.088	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)C1(c2ccc(F)cc2)CCCC1	190070500	UMNOUYAAXDDXFD-UHFFFAOYSA-N	308.353	1.556	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)NC[C@@H]1CCCCO1	144713009	DFQSJILDLWSYAM-AWEZNQCLSA-N	321.377	1.355	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)CN(C)C)ccc1Cl	194415110	PTAZLLINMIJMQS-UHFFFAOYSA-N	300.746	1.063	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc(OC(C)C)cc1	91014263	OLJVBRCCMHPGOY-LLVKDONJSA-N	314.407	1.829	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccnc1Br	92930287	MGOLQSHHGZMEIW-UHFFFAOYSA-N	303.116	1.627	50	20	DDGD	
Cc1cc(Br)oc1C(=O)NNC(=O)C1CCC1	264664493	FFAXUKFNMJAFDF-UHFFFAOYSA-N	301.140	1.912	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NC2CCN(C)CC2)cc(C#N)n1C	266907014	GCYHCTSLWRRPBT-ZSOIEALJSA-N	311.389	1.323	50	20	DDGD	
CCOC(=O)C1CCC(NC(=O)NNc2ccc(C)nn2)CC1	264346531	DHDALLJGUPMVGB-UHFFFAOYSA-N	321.381	1.533	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)CCCc1ccccc1)[C@H]1CCOC1	266794094	SVWRVGSOCWQWSY-HIFRSBDPSA-N	319.405	1.765	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN(C2CCCCC2)C1)c1ccccn1	267380691	UQPYOFRXXKGAGM-CYBMUJFWSA-N	316.405	1.497	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H]2CC23CCOCC3)c1	363315282	TWPYUJWKIWATNS-AWEZNQCLSA-N	318.373	1.338	50	20	DDGD	
O=C(NNC(=O)C1CC1)C(=O)Nc1cc(Cl)cc(Cl)c1	274035891	IEJYOQFNCRNYBL-UHFFFAOYSA-N	316.144	1.489	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NNC(=O)C2CCC2)cc1Cl	272864107	SPGBRVIPFVHXAE-UHFFFAOYSA-N	324.768	1.652	50	20	DDGD	
COC(=O)c1c(C)[nH]c(C(=O)NNc2cccc(OC)n2)c1C	272490548	DQFPNHDFHFSLTD-UHFFFAOYSA-N	318.333	1.579	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H]2C[C@@]23CCOC3)c1	368092215	JNFVSJNLCUKXTR-RHSMWYFYSA-N	318.373	1.256	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1cccc(C)c1Cl	276753704	GYKICUBMWHYBDJ-UHFFFAOYSA-N	313.785	1.558	50	20	DDGD	
CCCc1ccccc1NC(=O)C(=O)NNC(=O)C1CCC1	274118514	SDWZHJSOFKILNG-UHFFFAOYSA-N	303.362	1.525	50	20	DDGD	
CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N1CC=C(C#N)CC1	273687692	GSCOPISYECFDBZ-GFCCVEGCSA-N	307.419	1.616	50	20	DDGD	
CNC(=O)c1ccc(Cl)c(NC(=O)NNC(=O)CC2CC2)c1	273453508	CWDGZVKAXHNHGW-UHFFFAOYSA-N	324.768	1.652	50	20	DDGD	
CCCc1c(NC(=O)NNC(C)=O)cnn1-c1cc(C)ccn1	372084968	ZSBRIZTVVGFHJE-UHFFFAOYSA-N	316.365	1.701	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NCCCC#N	273229939	LRGRCOOFWNFULP-UHFFFAOYSA-N	304.350	1.262	50	20	DDGD	
CC[C@@]1(C(=O)NNC(=O)OC)CCN(C(=O)OC(C)(C)C)C1	370424724	ZJRPWNZXYPLRHO-CQSZACIVSA-N	315.370	1.411	50	20	DDGD	
CCN1C[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2C)CC1=O	288729973	PAQDZPSOGSPQHW-SNVBAGLBSA-N	306.322	1.215	50	20	DDGD	
COc1ccnc(NNC(=O)C[C@@H]2C(=O)Nc3ccccc32)n1	377479356	WDDJEGZPDOQNLR-JTQLQIEISA-N	313.317	1.054	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)C(=O)Nc1cc(C)on1	281835671	SLJWAJPBMUBESY-UHFFFAOYSA-N	302.334	1.936	50	20	DDGD	
CC[C@H]1CCC[C@H]1NC(=O)NNc1ccc(-n2ccnc2)nn1	287172187	SRHWRAYJSBOBHU-NWDGAFQWSA-N	315.381	1.867	50	20	DDGD	
CS(=O)(=O)c1ccc(NC(=O)NNC(=O)C=C2CCC2)cc1	283620133	HBCQOFNLFHQNTA-UHFFFAOYSA-N	323.374	1.353	50	20	DDGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNc2ncnc3nc[nH]c23)C1	280659968	GPEWWMSHVLIJHP-NXEZZACHSA-N	304.354	1.391	50	20	DDGD	
CO[C@H](CNC(=O)NNc1cccc([N+](=O)[O-])c1C)C1CC1	297277089	GAZIDOOTEPMMAW-CYBMUJFWSA-N	308.338	1.954	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCOc1ccc2ccccc2c1	292894189	MUKTZOBYYNASPP-UHFFFAOYSA-N	316.357	1.527	50	20	DDGD	
O=C(CNC(=O)Nc1ccccc1)NNc1ncccc1F	804216929	QDRDOCWMXSUFNV-UHFFFAOYSA-N	303.297	1.486	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cccc(O)c1	298206328	ZPYNYPFRPJZAPN-VIFPVBQESA-N	323.349	1.066	50	20	DDGD	
O=C(NNC(=O)c1cccc2ncccc12)c1cccnc1F	806810579	WWNVGKMDTYLJFH-UHFFFAOYSA-N	310.288	1.844	50	20	DDGD	
CCOC(=O)[C@@H]1CCCN(C(=O)NCCSSC)C1	807227153	XSRCNGNAWJMREW-SNVBAGLBSA-N	306.453	1.982	50	20	DDGD	
CC1(C)[C@H]2CC[C@@]1(C(=O)NNc1nccnc1Cl)C(=O)C2	295032382	ILWHEICIXBSLBQ-RTHLEPHNSA-N	308.769	1.969	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@@H]1CCN2CCCC[C@H]12	297496911	WQYWWZHIGFULLB-VXGBXAGGSA-N	311.336	1.613	50	20	DDGD	
Cc1ccc([C@@H](CNC(=O)NNc2ccncn2)N(C)C)cc1	296482931	XLZJTDCLRSHYST-CQSZACIVSA-N	314.393	1.714	50	20	DDGD	
CCCN1CCC[C@H]1CNC(=O)NNc1nc2ccccn2n1	807549707	IOLSUNQQNJBMRR-LBPRGKRZSA-N	317.397	1.230	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1ccc(Cl)cc1)[C@@H]1CCCCO1	295831269	ZESRDOLQXFIYLD-RYUDHWBXSA-N	312.753	1.090	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C#Cc2ccccc2)cc1	801108099	CDHZYBYZSFSLQJ-UHFFFAOYSA-N	321.336	1.133	50	20	DDGD	
O=C(NC[C@@H]1COc2ccccc21)NNC(=O)C1CCCC1	808296564	RDQSBCSXMWCKCV-GFCCVEGCSA-N	303.362	1.683	50	20	DDGD	
CC[C@H](COCC(F)(F)F)NC(=O)NNc1ccncn1	297068276	YWCNRMRRCJDZQY-MRVPVSSYSA-N	307.276	1.460	50	20	DDGD	
CO[C@@H](C)c1nsc(NC(=O)NNC(=O)C2CCCC2)n1	809922260	CGMKYHDDRWRWER-ZETCQYMHSA-N	313.383	1.588	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)on1	802103972	NTCFQKRBHXAXQN-UHFFFAOYSA-N	304.262	1.178	50	20	DDGD	
CSc1nsc(NC(=O)NNc2ncccc2F)n1	806341309	WDWBWEFEVOMLLO-UHFFFAOYSA-N	300.344	1.943	50	20	DDGD	
COc1ccccc1CCNC(=O)NNC(=O)[C@@H]1CCCCO1	296168274	LAZZZLGFRXYUPL-AWEZNQCLSA-N	321.377	1.137	50	20	DDGD	
C[C@@H]1Oc2c(cccc2C(=O)NNc2ncccc2F)NC1=O	804219132	CDMBYJAVAMJFJI-QMMMGPOBSA-N	316.292	1.697	50	20	DDGD	
Nc1nc2c(s1)C(=NNC(=O)CNc1ccccc1)CCC2	814711953	BZIQOLBQIMFJBH-UHFFFAOYSA-N	315.402	1.994	50	20	DDGD	
COc1ccc(CCNC(=O)NNc2ncncc2F)cc1	814267653	FSFVKTAVQASECU-UHFFFAOYSA-N	305.313	1.493	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1cc(Cn2cccn2)on1	817008653	BHAKTRDATPOMIW-UHFFFAOYSA-N	318.724	1.725	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC2CCC(N(C)C)CC2)n1	817178843	MWEKUPZYFOGZQP-UHFFFAOYSA-N	306.414	1.592	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCCSC1	811399096	LBZYHHKCFRSEJZ-JTQLQIEISA-N	304.412	1.066	50	20	DDGD	
O=C1CC[C@]2(C(=O)NNc3ccccc3Cl)SCCN12	811882748	MVRCOTBXFBOXDN-CYBMUJFWSA-N	311.794	1.849	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C(=O)NNc2ncncc2F)c1C	817079236	NNJXNTOXYXSIQR-UHFFFAOYSA-N	321.312	1.494	50	20	DDGD	
CN(C)c1cc(C#N)cc(C(=O)NNC(=O)c2cccnc2)c1	814360079	BGZGXONIXXSHCZ-UHFFFAOYSA-N	309.329	1.094	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H](C)C(C)(F)F	814800141	LFYSGDZKRCRQOJ-MRVPVSSYSA-N	310.304	1.695	50	20	DDGD	
C[C@@H](CN1CCCCCC1)C(=O)NN=C1CCN(CCO)CC1	819803370	OOFFIKCPXLRIAF-HNNXBMFYSA-N	324.469	1.059	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=C2CCn3cccc32)C[C@@H](C)O1	818259691	JDAXBBSLQDTOAN-MELADBBJSA-N	318.421	1.457	50	20	DDGD	
O=C(NNC(=O)c1cc(F)c[nH]1)Nc1ccc2c(c1)OCO2	816597312	MVEUEVRUNILITR-UHFFFAOYSA-N	306.253	1.349	50	20	DDGD	
C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NN(C)C1CC1	819649621	UTSOXLAMOLQCLQ-SNVBAGLBSA-N	314.382	1.361	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(OC(F)F)c(F)c1	816006785	MKHUYWBPTNICBZ-UHFFFAOYSA-N	305.256	1.733	50	20	DDGD	
CN(NC(=O)c1nccn2c(Br)cnc12)C1CC1	819650849	ZYRNQZJFFGXBEF-UHFFFAOYSA-N	310.155	1.231	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@@H](C)n2cccn2)c1	819479654	MOOKXDNLYXKDIT-LLVKDONJSA-N	302.334	1.764	50	20	DDGD	
Cn1nncc1NNC(=O)CCc1ncc(-c2ccccc2)o1	816771594	SIPTZZRJBPVNOH-UHFFFAOYSA-N	312.333	1.546	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@H](C)n2cccn2)c(O)c1	819843723	FDHIOCZTCXAMFI-NSHDSACASA-N	302.334	1.309	50	20	DDGD	
COc1ccc(C(=O)CCCC(=O)NN(C)[C@@H](C)CO)cc1	823971607	WYWHJHCZTWQWMZ-LBPRGKRZSA-N	308.378	1.392	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cccc2c1CCOC2)C1CC1	824445883	CYGKWHOSJMCGHE-JTQLQIEISA-N	319.430	1.667	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cc3c(s2)CCC3)CO1	827606590	MLSOGZUPFZVPLM-SCZZXKLOSA-N	309.391	1.358	50	20	DDGD	
COc1ccc(C(=O)CCCCC(=O)NN(C)[C@@H](C)CO)cc1	823934211	DMHRGOZYCDUYTP-ZDUSSCGKSA-N	322.405	1.782	50	20	DDGD	
CC[C@H]1c2ccsc2CCN1CC(=O)NNC(=O)C(C)C	827415975	QDUTYYSTGIFBID-LBPRGKRZSA-N	309.435	1.861	50	20	DDGD	
O=C(COc1ccccc1)NNc1cccc(-c2nn[nH]n2)c1	826418543	LMEUZNRYXIABDR-UHFFFAOYSA-N	310.317	1.389	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccc(-c2ccccn2)cc1	496454558	DMGKWOIOTMSFAZ-UHFFFAOYSA-N	314.301	1.074	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCOC2(CCCCCC2)C1	828059619	WHDUTLGIHMKADF-UHFFFAOYSA-N	311.426	1.215	50	20	DDGD	
COc1cccc([C@H](OC)C(=O)NNC(=O)NCC2CC2)c1	823804188	LTWJRPSERPNCOD-ZDUSSCGKSA-N	307.350	1.123	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CC[C@](C(N)=O)(c2ccccc2)C1	491137183	WRVHNUJJGAVFCW-QAAVPBIRSA-N	313.357	1.086	50	20	DDGD	
Cc1ccn(CC(=O)NNC(=S)Nc2cccc(C)c2C)n1	824126208	SVQKLLQWWXTTRY-UHFFFAOYSA-N	317.418	1.826	50	20	DDGD	
CC(C)OC(=O)[C@@H](C)N(C)C(=O)/C(C#N)=C/c1cnn(C)c1	491160586	LSLHYWWVKIDEBT-XXLSNGBASA-N	304.350	1.126	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1	823951623	LOSCZMLWMUAWES-LBPRGKRZSA-N	321.421	1.306	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C[C@@H](NC(N)=O)c1ccccc1	490734773	UTDXCBVQWHSYLQ-LLVKDONJSA-N	322.365	1.342	50	20	DDGD	
COCCCNC(=O)NN=C[C@@H](C)CNC(=O)OC(C)(C)C	496401306	HUMFEAWIZGOHIZ-NSHDSACASA-N	316.402	1.469	50	20	DDGD	
CC(C)Oc1ccccc1[C@@H](C)NCC(=O)NNC(=O)C(C)C	828648151	NWSOVCHOUVBNKQ-CYBMUJFWSA-N	321.421	1.928	50	20	DDGD	
C[C@@]1(C(=O)NN=c2cc[nH]cc2Cl)C[C@@H]1Br	907406335	FOYBDENECHKMLN-WCBMZHEXSA-N	304.575	1.774	50	20	DDGD	
Cc1cnc([C@@H](NCc2ccccc2B(O)O)C2CC2)s1	585024763	CBYQCMVXDBJBMY-AWEZNQCLSA-N	302.208	1.372	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)N(C)C	730272801	QUFKFQCOTFKRQR-GNFNDJEDSA-N	321.465	1.936	50	20	DDGD	
CC(=NNC(=O)CN(C)C)[C@H]1CCCN1C(=O)OC(C)(C)C	495588150	KXCMPHKJWXIKHZ-GFCCVEGCSA-N	312.414	1.440	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1nnc(O)c2ccccc12)C(C)(C)C	734417467	RUUUCNVMMBWVMW-VIFPVBQESA-N	316.361	1.779	50	20	DDGD	
COc1ccc([C@H](C)CCNCc2ccccc2B(O)O)cc1	585027559	BHOHCFYTGZKPOD-CQSZACIVSA-N	313.206	1.658	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCSc3ccc(Cl)cc32)o1	585021220	QYMMGLNVMWHQGL-GFCCVEGCSA-N	323.610	1.940	50	20	DDGD	
CN(CC(=O)NNc1ncc(F)cc1F)[C@H]1CCSC1	837207962	GETFWYCOPHRPET-VIFPVBQESA-N	302.350	1.240	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNc1nccc(N(CC)CC)n1	839705100	XQFVJDUIFBFMAO-LLVKDONJSA-N	323.397	1.355	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCCN1CCCOCC1	838616493	OHYNDGQOFXEAAD-UHFFFAOYSA-N	310.373	1.483	50	20	DDGD	
O=C(NCC1(C(=O)O)CCC1)NNC(=O)c1ccccc1F	738495903	SKHQUMXGZVXXBF-UHFFFAOYSA-N	309.297	1.025	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)Nc2cccc(B(O)O)c2)s1	584910134	NAROGEXJJDPXRL-UHFFFAOYSA-N	304.180	1.373	50	20	DDGD	
CC(=NNC(=O)c1c[nH]nc1C)c1cnn(CC2CCC2)c1	901195649	GJRFCNXINKDXDL-UHFFFAOYSA-N	300.366	1.869	50	20	DDGD	
CC[C@H](C)[C@@H](NNC(=O)COc1ccc(OC)cc1)C(=O)OC	905746603	CKQOQMSFQQKBLO-XHDPSFHLSA-N	324.377	1.283	50	20	DDGD	
CO[C@@]1(C(=O)NNC(=O)CCOc2ccccc2)CCSC1	900436542	ZVNJDQSCNQUXDF-HNNXBMFYSA-N	324.402	1.125	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)[C@@H](C)Oc2ccc(F)cc2)n1	834928540	PCBANNWWAMXVSS-LLVKDONJSA-N	319.340	1.663	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNC(=O)Cc1ccc(Cl)cc1	730103658	GKFABOQDJMOLFX-AWEZNQCLSA-N	319.792	1.128	50	20	DDGD	
Cc1cc(NNC(=O)CCc2nc(O)c3ccccc3n2)ncn1	734254772	YHMQAZREIPECPE-UHFFFAOYSA-N	324.344	1.510	50	20	DDGD	
O=C(NNC(=O)C1(c2cccc(F)c2)CCC1)c1ncon1	832825857	JLRSYBLMQAFIGE-UHFFFAOYSA-N	304.281	1.092	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H]1CC12CCSCC2	831937101	LVJRNHSWFHVECW-NSHDSACASA-N	306.391	1.190	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1ccc(-c2nn[nH]n2)cc1F	736587466	WLMGIWRSGQAJSU-DHZHZOJOSA-N	316.296	1.066	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1ccc(C(=O)OC)cc1C	905491248	DWELIWOFGOSBAW-UHFFFAOYSA-N	322.361	1.285	50	20	DDGD	
Cn1nnc2cc(C=NNC(=O)c3cccc([N+](=O)[O-])c3)ccc21	737413848	LLJZAYMBLYHUDT-UHFFFAOYSA-N	324.300	1.640	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNc1ccc(C#N)c(Cl)c1	839726879	TXYWKMCNQJSQLC-NSHDSACASA-N	308.769	1.802	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2CC=CCC2)cc1OC	737061367	MHUWHACLMDJKLZ-GFCCVEGCSA-N	319.361	1.757	50	20	DDGD	
O=C(C#CC1CC1)NNC(=O)c1ccc(Br)s1	837312709	RHLRHOYMMQGNSX-UHFFFAOYSA-N	313.176	1.685	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)NCC(F)(F)F)nc1	901169834	ALGHNOUNZGQARV-UHFFFAOYSA-N	304.228	1.064	50	20	DDGD	
CC(C)(C)N1C[C@@H](C(=O)NNc2ncc(F)cc2F)CC1=O	837206326	KXFBJAZZBQPKTG-QMMMGPOBSA-N	312.320	1.450	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC[C@]1(C)CCOC1)c1ccccc1	733351472	GAQZZNPYNXCSPG-PBHICJAKSA-N	319.405	1.937	50	20	DDGD	
O=C(O)[C@@H]1CCC[C@@H](C(=O)NNc2cnnc3ccccc23)C1	833184333	QBQMXDBYJKOEAH-GHMZBOCLSA-N	314.345	1.964	50	20	DDGD	
COC(=O)[C@@]1(C)CN(C(=O)[C@]2(C)C[C@@H]2Br)C[C@@H]1C	913429898	FKLSOCPZIPVUPX-NGERZBJRSA-N	318.211	1.818	50	20	DDGD	
CC[C@@H](C(=O)NNc1cc(O)nc2ncccc12)N(CC)CC	913992781	IENKXJVFBSKVGS-ZDUSSCGKSA-N	317.393	1.899	50	20	DDGD	
C[C@@H](CCc1cccc(F)c1)C(=O)NNC(=O)c1ncon1	832825577	ACJAORBGZLKEDA-VIFPVBQESA-N	306.297	1.239	50	20	DDGD	
O=C(O)NNS(=O)(=O)c1ccc(Cl)c2ccccc12	833281048	UWHWNKAWDANPMV-UHFFFAOYSA-N	300.723	1.954	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc(CN(C)C(=O)O)cc1	833467287	MVFFCJJBEGQIJC-UHFFFAOYSA-N	308.338	1.605	50	20	DDGD	
O=C(NN=Cc1cccc(O)c1O)c1nnc(O)c2ccccc12	916317661	FVVQLLOGEIJPMS-UHFFFAOYSA-N	324.296	1.511	50	20	DDGD	
Cc1[nH]nc(C(=O)NNC(=O)CCc2ccccc2)c1[N+](=O)[O-]	749958801	KBPCARZZWBGBSO-UHFFFAOYSA-N	317.305	1.020	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1NC(=S)NNC(=O)NCC(F)(F)F	917597255	IXKIDSIBVIUGNU-SFYZADRCSA-N	312.361	1.806	50	20	DDGD	
CCSc1ccccc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843645389	HNWUGRVNAMRQAL-WDEREUQCSA-N	308.403	1.985	50	20	DDGD	
Cc1nc(C(C)C)ccc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843656959	BPQVELWWPBCBNB-DGCLKSJQSA-N	305.378	1.699	50	20	DDGD	
C=CCc1cc(C=NNC(=O)NCCCOC)cc(OC)c1O	747049829	WWLGLBMIPFYSJG-UHFFFAOYSA-N	321.377	1.799	50	20	DDGD	
CC(=NNC(=O)c1nn(C)c(=O)c2ccccc12)c1ccc(C)o1	916316244	OWWYRKLKHTXFIZ-UHFFFAOYSA-N	324.340	1.989	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)CCOc2ccccc2)o1	747052242	XKHGTILHGGHWPG-UHFFFAOYSA-N	316.313	1.985	50	20	DDGD	
COCC[C@H](C)CNC(=O)NNC(=O)Cc1ccccc1C	840396091	OBMRPOHDMQHMFW-LBPRGKRZSA-N	307.394	1.541	50	20	DDGD	
O=C(NNc1c(F)cccc1F)N[C@@H]1CC[C@H]2CNC[C@H]2C1	842015332	MVNQTYCBKHGXLB-HBNTYKKESA-N	310.348	1.979	50	20	DDGD	
C#CCCCCCC(=O)NNc1ccccc1S(N)(=O)=O	842262099	QOXJMZOUFKYONL-UHFFFAOYSA-N	309.391	1.361	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1c([N+](=O)[O-])ccc(F)c1C	843778531	NZUGMYXGINSOMQ-UHFFFAOYSA-N	312.301	1.786	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NOCc1cccnc1	746725409	ITZVYBZUTGJXKG-UHFFFAOYSA-N	316.317	1.166	50	20	DDGD	
COCCNCCNC(=O)NNc1ccc(C)cc1Cl	841968129	LKOMEKKRQAURCI-UHFFFAOYSA-N	300.790	1.511	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1(c2cccc(F)c2)CCC1	843645448	RDRJJYJNXSRDLE-FZMZJTMJSA-N	320.364	1.820	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccc(C#N)s2)c1O	749531681	WAEVYQXVJZPBQL-UHFFFAOYSA-N	317.326	1.409	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	915261072	CSYVILFJXSXTNS-DKHPWKACSA-N	321.421	1.265	50	20	DDGD	
CCNC(=O)NNC(=O)c1c(C(F)(F)F)nc2ccccn12	841385616	YDPYNQDUPWCEQK-UHFFFAOYSA-N	315.255	1.317	50	20	DDGD	
Cn1cc(C(=O)NN=c2cc[nH]cc2Cl)c(C2CCC2)n1	840417627	CTTCGCVQVAMNFT-UHFFFAOYSA-N	305.769	1.915	50	20	DDGD	
CC(=NNC(=O)c1nn(C)c(=O)c2ccccc12)[C@@H]1CCOC1	741759422	UJGDIMGOYPPJOB-LLVKDONJSA-N	314.345	1.076	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(C(=O)OC(C)(C)C)cn1	843774759	HZUCRHHKRDXWRY-UHFFFAOYSA-N	308.338	1.001	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1ccc2c(c1)CCCC2	843646318	KCYRUXCHMUEZGM-WBMJQRKESA-N	316.401	1.680	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1	910156039	QQNLKRJIKYWSEO-CPCISQLKSA-N	307.177	1.371	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC[C@H](O)[C@H]1C(=O)O	911638104	QNBQDSSUANQXTL-XHNCKOQMSA-N	322.199	1.233	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCCN1CCNCC1	841920118	HFOUXTUQVGOEFC-UHFFFAOYSA-N	305.426	1.089	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(Cl)c(C)c1	847509252	CUSXDUCRFVUFMM-UHFFFAOYSA-N	312.757	1.279	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)c2ncccn2)CCCCC1	841591897	IHQBVXKGHDGASQ-UHFFFAOYSA-N	305.382	1.781	50	20	DDGD	
COC1([C@@H](C)NC(=O)NNC(=O)CCc2ccccc2)CCC1	840454770	UUBXPGKYMURPIH-CYBMUJFWSA-N	319.405	1.907	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)CCOC[C@@H]2CCCO2)o1	746521894	HAHBPGFNKICHLK-NSHDSACASA-N	322.365	1.698	50	20	DDGD	
COc1ccc(CCNC(=S)NNC(=O)CC2CC2)cc1	840762345	BSBAYCVKLZHFKE-UHFFFAOYSA-N	307.419	1.533	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CNc1ccccc1)C(=O)OC(C)(C)C	840844906	HUGYRGVQFCTRTP-NSHDSACASA-N	321.377	1.224	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1cccc(-n2cnnc2)c1	842548867	DDDOIRXTBVTLBB-DOMZBBRYSA-N	313.361	1.533	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(NC(N)=O)cc2)o1	752526139	AMPOOSDYUYRGDI-UHFFFAOYSA-N	302.290	1.153	50	20	DDGD	
O=C(NNc1cccnn1)c1ccc(CN2CCCC2=O)cc1	753090544	MUIUTUACWAKVRE-UHFFFAOYSA-N	311.345	1.356	50	20	DDGD	
O=C(NN=Cc1ccccc1C1CC1)[C@H]1CCS(=O)(=O)C1	751133826	GWMUKKITFIRPGR-ZDUSSCGKSA-N	306.387	1.449	50	20	DDGD	
Cn1nc(C(F)(F)F)cc1C=NNC(=O)NCc1ccco1	853295039	NBIDETLYRVSBGX-UHFFFAOYSA-N	315.255	1.865	50	20	DDGD	
O=C(NCc1noc2c1CCCC2)NNc1ncc(Cl)cn1	856905821	BYOWZLZIZVQWTA-UHFFFAOYSA-N	322.756	1.823	50	20	DDGD	
C=CCCNC(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	851911933	HQSXPVYQMXPHOI-UHFFFAOYSA-N	323.349	1.233	50	20	DDGD	
N#CSCCCNC(=O)Cn1nnnc1-c1ccsc1	854367215	NTSRDDPAXGBLLR-UHFFFAOYSA-N	308.392	1.122	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2c(C)nn3cccnc23)c1	759327829	FEPXXGBMNNJTQJ-UHFFFAOYSA-N	315.308	1.942	50	20	DDGD	
O=C(NCCCCCc1ccccc1)NNC(=O)c1cn[nH]c1	858181935	BBFCIFCXQSNLKR-UHFFFAOYSA-N	315.377	1.767	50	20	DDGD	
COC[C@@H]1CCN(C(=O)NC[C@]2(C)C[C@@H]2Br)C1	856753807	XZXUZJZSDHGSJE-SCVCMEIPSA-N	305.216	1.838	50	20	DDGD	
O=C(NCCO[C@H]1CCOC1)NNc1ccc(F)c(F)c1	927525325	HPZYIPWYCPZYFV-JTQLQIEISA-N	301.293	1.396	50	20	DDGD	
CC(C)[C@H](NC(=O)NNc1ccc(Cl)cn1)c1nncn1C	852322107	BJSVWRVBCBMTMN-NSHDSACASA-N	323.788	1.887	50	20	DDGD	
O=C(/C=C\c1cncc(O)c1)NNC(=S)NCC1CCC1	855089272	JZSYFTGOFRRIII-PLNGDYQASA-N	306.391	1.096	50	20	DDGD	
C[C@H]1CN(C2CC2)CC1=NNC(=O)c1cccc(C(=O)O)c1	853426059	NZXOARHCXBKPBF-JTQLQIEISA-N	301.346	1.585	50	20	DDGD	
C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CC[C@@H](C)c2ccccc21	752733312	IHWLXNLUOFAHPB-GHMZBOCLSA-N	323.418	1.342	50	20	DDGD	
Cn1cc(C(=O)COC(=O)/C(C#N)=C/c2ccc(O)cc2)cn1	754539128	GHSXCKJGSQODAQ-WUXMJOGZSA-N	311.297	1.459	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNC(=O)c1cccc(F)n1	856423012	KANQKKIPYHSKTJ-MRVPVSSYSA-N	319.340	1.515	50	20	DDGD	
O=C(Cc1cncc(O)c1)NNc1ccc(C(F)(F)F)cn1	857488309	DNSAFKQKGJEGLN-UHFFFAOYSA-N	312.251	1.887	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1nc(Br)sc1C	854920139	LPCVZTBSVCSHOF-UHFFFAOYSA-N	323.241	1.295	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCN(c2cccs2)CC1	757850523	MPLLXXPJEGXONI-UHFFFAOYSA-N	324.450	1.064	50	20	DDGD	
C[C@@]1(CNC(=O)NCCC2=CCNCC2)C[C@@H]1Br	857104085	PXPNXKFJMMLWFL-AAEUAGOBSA-N	316.243	1.769	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=S)N[C@H](C)C2CC2)n(C)c1	855102675	MBLWKJUXGXCAOC-MRVPVSSYSA-N	308.407	1.135	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cc2cccnc2[nH]1	855092581	KKDZERDSLTYFMX-UHFFFAOYSA-N	303.391	1.472	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CCCOCC2)c1C	853964888	RIUSVGKIMIPAJD-LBPRGKRZSA-N	321.377	1.977	50	20	DDGD	
CCn1cc(C(=O)NN(C)C(=S)NC)c(C(F)(F)F)n1	854920650	GTIHRVVRYDHXHN-UHFFFAOYSA-N	309.317	1.003	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNc2nc(-c3ccncc3)no2)[C@@H]1C	859073395	YHNFKWOPZXTXBM-DTHBNOIPSA-N	317.349	1.634	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@H]2C=NNC(=O)c2cccn2C)cn1	853284298	XBQAVFXOTKLZEH-SWLSCSKDSA-N	315.377	1.735	50	20	DDGD	
COC(=O)[C@H]1C[C@H](NC(=O)/C(C#N)=C/c2ccc(O)cc2)C1	856367757	OQVRBCOWAYHRCX-DCMCEXCLSA-N	300.314	1.367	50	20	DDGD	
O=C(Cc1ccc2c(c1)COC2)NNC(=O)NC1CCCC1	755191960	MHJVHYGBVDYLLU-UHFFFAOYSA-N	303.362	1.532	50	20	DDGD	
Cn1nc(CNC(=O)NNC(=O)c2ccccc2)c2ccccc21	759216814	QSJZPIVEUVTVLJ-UHFFFAOYSA-N	323.356	1.718	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(F)ccc2[N+](=O)[O-])n1	751324100	RDFIIOJQUXJEGO-UHFFFAOYSA-N	307.241	1.289	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCc1ccc(Cl)c(F)c1	861960908	QAMWTELRMJBYCY-UHFFFAOYSA-N	303.790	1.879	50	20	DDGD	
CO[C@@]1(CNC(=O)NNc2cc(Cl)ccn2)CCOC1	763711731	ARHFPHNQIQBDEH-GFCCVEGCSA-N	300.746	1.167	50	20	DDGD	
Cc1cc(=NNC(=O)C(=O)Nc2ncc(C(C)C)s2)cc[nH]1	861959889	JQGSROYDFURVFI-UHFFFAOYSA-N	319.390	1.474	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)N[C@H](C1CCCC1)C(F)(F)F	860931705	LCSVMASZAFZNQC-SECBINFHSA-N	319.287	1.475	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCCCC(=O)NC1CC1	767031129	HQOCUKZLKSVQHK-NSHDSACASA-N	319.243	1.971	50	20	DDGD	
CCN1C[C@@H](C)N(C(=O)NNC(=O)c2ccccc2C)C[C@@H]1C	765645528	VNIXQVCRZDLFFB-UONOGXRCSA-N	318.421	1.764	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(/C=C(\C#N)C(N)=C(C#N)C#N)c1C	863176453	QZQZQDRNGLKGLO-VZUCSPMQSA-N	309.329	1.975	50	20	DDGD	
O=C(C[C@@H]1CCOC1)NNC(=O)c1cc(-c2cccs2)[nH]n1	765569429	IUYZTSHOECJEFL-VIFPVBQESA-N	320.374	1.326	50	20	DDGD	
O=C1NCC[C@@]1(C(=O)NNc1ncc(Cl)cn1)C1CCCC1	862257097	AYBSFAUYULUEJV-CQSZACIVSA-N	323.784	1.270	50	20	DDGD	
O=C(Cc1cccnc1Cl)NNC(=O)OCC(F)(F)F	869281253	BRARGXBZQBUVCG-UHFFFAOYSA-N	311.647	1.597	50	20	DDGD	
COc1ccsc1C=NNC(=O)c1ccnc(N(C)C)c1	764692127	JZRWIEFSBBNJJD-UHFFFAOYSA-N	304.375	1.982	50	20	DDGD	
CN(C)c1nccc(NNC(=O)Nc2cc(F)cc(F)c2)n1	765290552	LAMJOXUNWTWYBK-UHFFFAOYSA-N	308.292	1.969	50	20	DDGD	
O=C(NNc1ncccc1Cl)c1cnc2nccnc2c1	760284250	YXNUQGUQNIRNLQ-UHFFFAOYSA-N	300.709	1.830	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cnn2ncccc12)c1ccccc1	765338683	CCTFZFAWIHTOSW-ZDUSSCGKSA-N	323.356	1.684	50	20	DDGD	
CN1C(=O)CS/C1=C\C(=O)NC[C@]1(C)C[C@@H]1Br	864072521	JTYAHKWWIMQKJC-OLCXJYQTSA-N	319.224	1.323	50	20	DDGD	
CC(=O)N[C@@](C)(C(=O)NNC(=O)Nc1ccccc1)C(C)C	935857101	OTFDSYIJBBWFMP-OAHLLOKOSA-N	306.366	1.390	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCCC[C@@H]1CCCCO1	761038110	PRETVCANTFEXSA-VIFPVBQESA-N	311.304	1.619	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccnc(-n2ccnc2)c1	768507012	KFLLNXRBFIBZFY-UHFFFAOYSA-N	319.328	1.901	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2c(C=O)c[nH]c2c1	862094335	KRTYUYZRVAKGGC-JOYOIKCWSA-N	315.329	1.166	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccc(C#N)cc1	763957631	HGEOTOKWPZBIGV-UHFFFAOYSA-N	322.324	1.266	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2c(C)c(C)nn(C)c2=O)c1	765202319	DNPWJAFUSAJEIX-UHFFFAOYSA-N	320.324	1.302	50	20	DDGD	
CCN1CCC[C@H]1Cn1c(C)cc(C=NNC(=O)CCO)c1C	1116205827	WLHHOGPCNQLJSF-INIZCTEOSA-N	320.437	1.422	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(-c2ncn(C)n2)cc1	879142232	LRAYIFWIPNKHQA-UHFFFAOYSA-N	304.354	1.097	50	20	DDGD	
Cc1c(F)cc(S(=O)(=O)N2CC=C(C#N)CC2)cc1C(=O)O	871935003	PBHQVIZRTMDYTJ-UHFFFAOYSA-N	324.333	1.677	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@H]1C=NNC(=O)[C@@H]1CCCOC1	872381854	BRFVBXDNMNZIMT-BFHYXJOUSA-N	320.393	1.509	50	20	DDGD	
COc1ccc(CCCC(=O)NNc2ccncn2)c(OC)c1	1117811957	UONMBKPRYAFJDS-UHFFFAOYSA-N	316.361	1.960	50	20	DDGD	
CC[C@@H](C)[C@H](NC(=O)NNC(=O)c1c[nH]nc1C)C(F)(F)F	772530669	IJZWPORAMAJFEY-MUWHJKNJSA-N	321.303	1.639	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N(C2CC2)C2CC2)C[C@@H]1Br	1118836092	CGHSFDQCMMVORZ-GXFFZTMASA-N	315.211	1.430	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)c2ccncc2)c(F)c1	777273632	FCRIUDUNAYMUSS-UHFFFAOYSA-N	301.277	1.498	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNC(=S)Nc1ccc(C)c(C)c1	873762445	RDSGBKDGHYRWMD-CYBMUJFWSA-N	322.434	1.536	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2CCC(=O)C2)c(C)c1	873760225	NWQNFHVNIQPZRD-LLVKDONJSA-N	305.403	1.990	50	20	DDGD	
O=C(COCc1ccncc1)NNC(=O)Cc1ccccc1F	1117358399	XVAWZYNYMAJSFJ-UHFFFAOYSA-N	317.320	1.127	50	20	DDGD	
CNC(=O)CCCNC(=O)NNc1cccc(F)c1Cl	875133779	RZLBNWLRCMVZCT-UHFFFAOYSA-N	302.737	1.631	50	20	DDGD	
CCc1ncsc1NC(=O)C(=O)NNc1nc(C)cc(C)n1	773483255	TVKWTJWOBHJRSA-UHFFFAOYSA-N	320.378	1.194	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cccn(CC(F)(F)F)c1=O	770351345	UOASXCGCNYDFGR-UHFFFAOYSA-N	320.271	1.219	50	20	DDGD	
CCN1C(=O)CCc2cc(NC(=O)NN(C)CCOC)ccc21	879192368	CXZJNOOKTWYKNT-UHFFFAOYSA-N	320.393	1.600	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1	878780248	INMYYNNMYBCXHY-CQSZACIVSA-N	309.366	1.469	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc(C(=O)O)cc2F)n1	774036266	GREXTXPNPNSRRJ-UHFFFAOYSA-N	304.281	1.688	50	20	DDGD	
Cn1nccc1NC(=O)C(=O)NNc1ccc2ccccc2n1	773654305	DKWXHKPTMGCPEC-UHFFFAOYSA-N	310.317	1.050	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NNc1ccc(C#N)cn1	888949737	PERFEJCDAYGALM-OCCSQVGLSA-N	301.350	1.561	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccc(C#N)cn1)CN1CCCCC1	887862157	GSTIQEGRMBWKGN-ZDUSSCGKSA-N	316.409	1.701	50	20	DDGD	
C[C@H](C(=O)OC[C@@]1(C)C[C@H]1Br)n1cnc(C#N)n1	1123140267	AWLCHYTWOALSMS-SOCHQFKDSA-N	313.155	1.427	50	20	DDGD	
N#Cc1ccc(NNC(=O)NCCC[C@H]2CCCCO2)nc1	888812057	YHTFWEXOORBZAT-CYBMUJFWSA-N	303.366	1.929	50	20	DDGD	
CCC(=O)N(C)c1ccc(NC(=O)NN(C)CCOC)cc1	881043223	AWSKLZCKKYCQIL-UHFFFAOYSA-N	308.382	1.674	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1nc(-c2ccco2)oc1C	887143449	ZOSNGKCWECJTDR-UHFFFAOYSA-N	315.329	1.736	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NNC(=O)NC1CCCCC1	780158295	CKRQJPBZQVDWMZ-XQQFMLRXSA-N	310.442	1.911	50	20	DDGD	
O=C(CCN1CCOC1=O)NNc1ccc(Cl)cc1F	885109772	CYOSXSHDYNWTQA-UHFFFAOYSA-N	301.705	1.765	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N[C@@H](C)c1cncc(F)c1	783006302	PBJSIJIVCBNQCX-QWRGUYRKSA-N	310.373	1.453	50	20	DDGD	
O=S(=O)(CBr)NC[C@@H]1CCc2ccccc21	782439139	XYIOEJFDJPTMLR-JTQLQIEISA-N	304.209	1.988	50	20	DDGD	
COc1cccc(NNC(=O)[C@H]2COc3ccccc3O2)n1	780770498	HNGZRAGRXZRCHT-GFCCVEGCSA-N	301.302	1.373	50	20	DDGD	
CNC(=O)CCCC(=O)NNc1ccnc(Br)c1	781028875	IAZQQDZRMJXPHK-UHFFFAOYSA-N	315.171	1.204	50	20	DDGD	
CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)NNC(=O)C1CCOCC1)C2	883130577	KDWWRACEUWKSHJ-AHIWAGSCSA-N	323.437	1.958	50	20	DDGD	
COC1CCC(C(=O)NNC(=O)CCc2ccccc2)CC1	780537455	DXECKOMIKXUBBQ-UHFFFAOYSA-N	304.390	1.972	50	20	DDGD	
CC(C)[C@H](OC(=O)/C(C#N)=C\c1ccccc1)C(=O)NC(N)=O	785360358	APCFPLVXDRRVIA-FSBNRTBOSA-N	315.329	1.356	50	20	DDGD	
CC(C)CC1(CNC(=O)NNC(=O)C2CCOCC2)CCC1	883508354	VXKXGBJQDBKBQH-UHFFFAOYSA-N	311.426	1.960	50	20	DDGD	
COc1ccc(NNC(=O)c2cc([N+](=O)[O-])ccc2O)nc1	781530346	BNMUFCZHMOYVFM-UHFFFAOYSA-N	304.262	1.461	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@@H]1CCCc2c(O)cccc21	789743422	AKBFMSASYDOWRZ-CYBMUJFWSA-N	303.362	1.553	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H](O)CCc2ccccc2)n1	781023792	HZDFMOUGOMGXOU-ZDUSSCGKSA-N	301.346	1.527	50	20	DDGD	
CSc1nnc(CNC(=O)NNC(=O)c2ccccc2)s1	782544416	AMVSCFSFOLXINC-UHFFFAOYSA-N	323.403	1.404	50	20	DDGD	
CSCCCN(C)C(=O)NNC(=O)c1cccc(C#N)c1	798529996	BNMYXENNCWWLFG-UHFFFAOYSA-N	306.391	1.598	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2ccc([N+](=O)[O-])cc2F)CC1	790181679	PCSIHBYSJWNYCT-UHFFFAOYSA-N	309.301	1.025	50	20	DDGD	
COc1cncc(C(=O)NNc2nc(C(F)(F)F)cs2)n1	792379343	DWRAZVMSCRQEIS-UHFFFAOYSA-N	319.268	1.717	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CN(C)[C@H]1CCSC1	798311521	BIWPJTOIMVBURT-LBPRGKRZSA-N	322.434	1.585	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1cccc(O)c1O	790754196	QLUASHIAIPTGGD-UHFFFAOYSA-N	316.313	1.076	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H](C)Oc2cccnc2)n1	794086926	JMSWHJZODOLEHO-NSHDSACASA-N	300.318	1.014	50	20	DDGD	
CC(=O)NNC(=O)c1cnnn1-c1c(Cl)cccc1Cl	794885118	UGRWWMIJCVLICH-UHFFFAOYSA-N	314.132	1.355	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NNc2cc(Cl)ccn2)n1	793232562	YLTXXRLAXIQANP-UHFFFAOYSA-N	320.740	1.410	50	20	DDGD	
COC(=O)C[C@@H]1CCC(=NNC(=O)c2sc(N)nc2C)[C@@H]1C	794489682	ZUICOEWNFIBEQF-APPZFPTMSA-N	324.406	1.729	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cnn(C2CCCCC2)c1	1318488836	OQPZIQLFRUVKTD-UHFFFAOYSA-N	315.377	1.802	50	20	DDGD	
COC(=O)CCCC(=O)NNc1cncc(Br)c1	1323952803	MRHQFTDYHGXMIL-UHFFFAOYSA-N	316.155	1.631	50	20	DDGD	
OB(O)[C@@H]1CCN(Cc2c(F)cccc2Br)C1	585077025	RUCCKXGREPVYBP-MRVPVSSYSA-N	301.952	1.637	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1	1323370908	XWKVRDZTKSZSQQ-WCQYABFASA-N	320.393	1.122	50	20	DDGD	
Cc1nnc(C(=O)NNc2nc(-c3ccncc3)no2)s1	1328655421	LJKXNRODBWGZKO-UHFFFAOYSA-N	303.307	1.048	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2cccc(Cl)c2)nn1C	1320240392	AQHIMKRDWYBSSD-UHFFFAOYSA-N	306.753	1.711	50	20	DDGD	
COc1cc(OC)c(C(=O)NNc2ccn(C)n2)cc1OC	1324864707	PCYLNOHBBKQDNR-UHFFFAOYSA-N	306.322	1.203	50	20	DDGD	
O=C(OCc1nc[nH]n1)[C@@]12CC[C@@H](C[C@H]1Br)C2	1332152647	BTAFCCZQQLBRDH-VAOFZXAKSA-N	300.156	1.802	50	20	DDGD	
C#CCN1CCC[C@@H](NC(=O)NNC(=O)c2cc(C)cs2)C1	1333199542	JSCJFSBALNQSBT-GFCCVEGCSA-N	320.418	1.098	50	20	DDGD	
CC[C@@H](C)n1nccc1C(=O)NNC(=O)Cc1ccccc1F	1338465630	RNYKJLXFJOUWOU-LLVKDONJSA-N	318.352	1.997	50	20	DDGD	
O=S(=O)(c1ccc(CCl)cc1)N1[C@H]2CC[C@H]1COC2	695055191	XIPASUUSFQLCTB-RYUDHWBXSA-N	301.795	1.977	50	20	DDGD	
NC(=O)C1CCN(c2ccc(CNC(=O)CCl)cc2)CC1	1337601839	MXZQEHNLUSJOTL-UHFFFAOYSA-N	309.797	1.243	50	20	DDGD	
Cn1ccc(NNC(=O)[C@@H]2COc3ccc(Cl)cc3C2)n1	1339437454	IPEDCGPVMPKMJM-JTQLQIEISA-N	306.753	1.768	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cnc(N(C)C)n2C)cc1	1261207388	ASZRSZOXGMGABY-UHFFFAOYSA-N	301.350	1.259	50	20	DDGD	
C=C[C@@H](COC)NC(=O)NNC(=O)[C@@H](CC)c1ccccc1	1342727021	GXXVERSMALPWPP-KBPBESRZSA-N	305.378	1.712	50	20	DDGD	
O=C(NNC(=O)c1ccc(O)cc1O)c1ccc(Cl)nc1	1342034572	HBOFQSVKMQROFV-UHFFFAOYSA-N	307.693	1.221	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1F)Nc1ccc(OC(F)F)cc1	1346962446	RFBCILNENGIVCW-BDAKNGLRSA-N	303.240	1.799	50	20	DDGD	
CCN1CCOC[C@@H]1C(=O)OC[C@@]1(C)C[C@H]1Br	1348960678	FHHRBYNUANNGTB-CKYFFXLPSA-N	306.200	1.424	50	20	DDGD	
C#CCCCC(=O)NN[C@@H](C(=O)OC)c1ccccc1Cl	1352748752	GOPBHUVBAYBZMO-CQSZACIVSA-N	308.765	1.978	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc(-c2nn[nH]n2)c1C	1603995143	KABUNRRNQBDANF-QMMMGPOBSA-N	317.353	1.374	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2Cc3cccnc3C2)c(F)c1	1602384700	JRVYLTINIUUIQB-NSHDSACASA-N	315.304	1.777	50	20	DDGD	
O=C(O)[C@@H]1[C@@H]2CCC[C@H]2CN1CCI	1601757743	ZFLAGBJMLXRLAX-YIZRAAEISA-N	309.147	1.607	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)N[C@H]1C[C@@H](C(=O)O)C1	1605815380	HSOMKNVYOLJFHT-OCAPTIKFSA-N	311.725	1.147	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccsc1C(=O)O	1601556909	AEFWTGRLTFWFQM-UHFFFAOYSA-N	313.404	1.355	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)O)CC=CC1)c1ccccc1Cl	1605814638	LWHXUSGSARMSMT-UHFFFAOYSA-N	308.721	1.522	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1coc(C(C)C)n1	1549321868	VPICQTWOBKOACA-TZMCWYRMSA-N	320.393	1.501	50	20	DDGD	
C[C@@H](O)C(=O)N1CCC2(CCCN(C(=O)[C@@H](F)Cl)C2)CC1	1810911892	BKUSGAVGTAZSRW-GHMZBOCLSA-N	320.792	1.133	50	20	DDGD	
CCOC1CCC(=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)CC1	1549317975	ZHSFLGAAKRXGCZ-GIJJTGMTSA-N	309.410	1.301	50	20	DDGD	
NCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](F)Cl)CC1	1827607597	IQIJYQACHVYVJO-WCQYABFASA-N	319.808	1.099	50	20	DDGD	
Cc1sc(CN)nc1C(=O)NNc1cccc([N+](=O)[O-])c1C	1579934110	BDMWANHTMIKLGP-UHFFFAOYSA-N	321.362	1.884	50	20	DDGD	
O=C(c1ccccc1)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1	1841352296	GNWQUNXWEAEFSF-CYBMUJFWSA-N	322.792	1.103	50	20	DDGD	
CC(C)[C@H](C(=O)O)C(=O)N(C)NC(=O)OCc1ccccc1	1588816464	MEMBKDXOEUIGAH-LBPRGKRZSA-N	308.334	1.643	50	20	DDGD	
O=C(C(Cl)Cl)N1CC2(CCCN2C(=O)c2cn[nH]c2)C1	1843502573	VMMGYWWWPIJFLM-UHFFFAOYSA-N	317.176	1.030	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNc2cccc(C(=O)O)c2F)C1	1596986279	ITQGCAVKUOGKFF-DTORHVGOSA-N	311.313	1.718	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NN[C@H](C(=O)O)C3CC3)cc2C1	1594451300	ZPZVLRSKMHLJBQ-OQPBUACISA-N	308.403	1.971	50	20	DDGD	
C[C@]1(CNc2ncccc2-c2nn[nH]n2)C[C@H]1Br	1590136052	QDCXDFKEQWCWCR-LDYMZIIASA-N	309.171	1.847	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNc1ccc(C(=O)O)c(F)c1	1596425264	RQPPQLYRDBMJRX-ZDUSSCGKSA-N	309.341	1.841	50	20	DDGD	
CC[C@@H](C)CCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1590405307	HZSIZGDGMZGDRQ-SNVBAGLBSA-N	316.365	1.454	50	20	DDGD	
CC[C@](C)(CNC(=O)NNc1ccc(C(=O)O)c(F)c1)OC	1594836027	ZAEKKXPNFNYIEI-CQSZACIVSA-N	313.329	1.965	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1cc(F)c(C(=O)O)cc1F	1776116239	UYEJMSZPQDQWRO-WTKPLQERSA-N	311.240	1.760	50	20	DDGD	
N#Cc1ccc(C(=O)O)c(C=NNC(=O)[C@@H]2CCCCO2)c1	1776077559	DWDXIPHBUGOVLV-ZDUSSCGKSA-N	301.302	1.276	50	20	DDGD	
Cn1cc(C(=O)O)cc1C=NNC(=O)c1ccc2c(c1)OCO2	1776019398	LSRSLNZTARIKDE-UHFFFAOYSA-N	315.285	1.216	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@H]1CC=CCC1	5515194	OHUYIFMTHLYHMU-LBPRGKRZSA-N	304.346	1.578	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccccc2O)cc1	17526065	VYENQNHHJFMHJV-UHFFFAOYSA-N	300.314	1.541	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccccc1Cc1ccccc1	161228850	LSGBSSLOYLNPQR-UHFFFAOYSA-N	311.341	1.383	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)CNc1ccc(C)cc1C	161747441	ONZFZDQSARCGIQ-ZDUSSCGKSA-N	307.394	1.678	50	20	DDGD	
C[C@H]1OCC[C@H]1SCC(=O)NNC(=O)c1ccc(F)cc1	163944028	OEVUBKFNNRKCHF-BXKDBHETSA-N	312.366	1.497	50	20	DDGD	
C[C@H]1CC[C@@H](CC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1	164226347	HMFXHEYSURGMKG-ZOWXZIJZSA-N	318.373	1.800	50	20	DDGD	
CC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	238103884	RYJCAQUEJLZKFC-ZDUSSCGKSA-N	321.377	1.290	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2SCCc3ccccc32)[nH]n1	151226613	ITHDKBCEHDPZDE-ZDUSSCGKSA-N	316.386	1.510	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cc2ccccc2cc1O)N(C)C	151312830	BFKUYFFNLUEMBP-AWEZNQCLSA-N	315.373	1.647	50	20	DDGD	
Cc1cc(/C=C(\C#N)C(=O)OCC(N)=O)c(C)n1CC(C)C	5180826	ZIIPRBRHXXOLQG-MKMNVTDBSA-N	303.362	1.696	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2c(C)nn(C)c2C)cc1	153219540	FJFNRHFXUOGDKT-UHFFFAOYSA-N	315.377	1.218	50	20	DDGD	
O=C(Cn1nnc(-c2ccccc2)n1)NNc1ccccc1F	153246117	VEZSWNSWJROEKF-UHFFFAOYSA-N	312.308	1.623	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1C1CCOCC1)c1ccccc1	153540063	YUKZDDFHCNEQHI-OAHLLOKOSA-N	317.389	1.091	50	20	DDGD	
O=C(NNc1cccc(F)c1)[C@@H]1CC(=O)N(CC(F)(F)F)C1	155045004	JTQSRGZXZSBWTM-MRVPVSSYSA-N	319.258	1.680	50	20	DDGD	
C=CCC(CC=C)C(=O)NNc1nccc(N2CCOCC2)n1	155576892	REJVJRYWORKFJR-UHFFFAOYSA-N	317.393	1.525	50	20	DDGD	
C[C@H](CC(=O)NNc1ccc(C(N)=O)nn1)c1ccc(F)cc1	154349506	KLQDBWHDALZAGW-SECBINFHSA-N	317.324	1.352	50	20	DDGD	
NC(=O)Cc1ccccc1OS(=O)(=O)CCCCCl	154764357	ZHKIVCVDWXUPCA-UHFFFAOYSA-N	305.783	1.442	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCCCCl)[C@@H](O)Cc1ccccc1	154788151	TUHLBJLKZCAUHI-OCCSQVGLSA-N	319.854	1.917	50	20	DDGD	
Cc1ccc2cccc(NC(=O)NNC(=O)CN(C)C)c2n1	159778692	CLIPOEYZUNESJX-UHFFFAOYSA-N	301.350	1.258	50	20	DDGD	
C[C@H]1CO[C@H](CO)CN1S(=O)(=O)c1ccc(CCl)cc1	380024310	UVXAASDGVQIYAZ-JQWIXIFHSA-N	319.810	1.196	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCc1cccc(Cl)c1	109858391	SBWQMUDCPOMRSK-UHFFFAOYSA-N	306.753	1.765	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2c[nH]c3ccccc23)nc1	107538477	DVNVEURSRFPKNL-UHFFFAOYSA-N	305.297	1.509	50	20	DDGD	
O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1	54125783	STKWSBPFLDFYAK-UHFFFAOYSA-N	303.249	1.809	50	20	DDGD	
O=C(CSc1ccccc1)NNC(=O)Cc1cccnc1	103425242	RREAAMSVTCIQAX-UHFFFAOYSA-N	301.371	1.564	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)NCc1ccco1)c1ccccc1	106752943	JEIBIYPXVLPMAH-INIZCTEOSA-N	317.345	1.672	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H](C(C)C)N(C)C)cc1C	106453455	ANJPZOHGVBOMTQ-MRXNPFEDSA-N	321.421	1.416	50	20	DDGD	
CCC(C)(C)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1	103420444	VIRLUALWESJVGW-UHFFFAOYSA-N	319.409	1.277	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cncc(O)c2)c(C)c1	109939082	CIRILBCLDCUQND-UHFFFAOYSA-N	314.345	1.277	50	20	DDGD	
CC[C@H](CC(=O)NNC(=O)C(=O)N1CCCC1)c1ccccc1	103433258	ZWCCYTUCYSMMIW-CYBMUJFWSA-N	317.389	1.340	50	20	DDGD	
Cc1ccccc1[C@H](C)CC(=O)NNC(=O)c1cnn(C)c1	117680333	WVPJIJIXPJXWGV-GFCCVEGCSA-N	300.362	1.683	50	20	DDGD	
CCCC(O)(CCC)CC(=O)NNc1nc(C)cc(OC)n1	119180103	RIMBXPUDRHNQML-UHFFFAOYSA-N	310.398	1.958	50	20	DDGD	
CC[C@H](C)N(C)CCNC(=O)NNC(=O)c1ccccc1F	66202790	RQPQNMCUPKXORD-NSHDSACASA-N	310.373	1.500	50	20	DDGD	
C[C@H](C(=O)NNc1cc(F)c(F)cc1F)N1CCSCC1	179186165	ZMOZMPWGCHFYCF-MRVPVSSYSA-N	319.352	1.984	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2ccc(Cl)nn2)c1	173703722	YRKBLGKPRQKWCC-UHFFFAOYSA-N	305.725	1.247	50	20	DDGD	
C[C@H]1CCC[C@@H](OCC(=O)NNC(=O)CNc2ccccc2)C1	112724340	FLWPPAVIBYIIII-DZGCQCFKSA-N	319.405	1.841	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2ccc(Br)cc2)CC1	171564027	OOZSPWKYPKPDHL-UHFFFAOYSA-N	312.167	1.418	50	20	DDGD	
O=C(COc1ccc(F)cc1F)NNc1ncnc2nc[nH]c12	172643928	AHHUPQKTRATQIY-UHFFFAOYSA-N	320.259	1.153	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1ccc([N+](=O)[O-])cc1F	114893370	YDGGZNKJONNJIO-UHFFFAOYSA-N	311.660	1.934	50	20	DDGD	
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)CCl)CC2)cc1	111000899	LKAAKYOYMLSFLL-UHFFFAOYSA-N	319.770	1.243	50	20	DDGD	
CO[C@H](C)C(=O)NNC(=O)NCc1cccc(C(F)(F)F)c1	67337096	CILAQYJLZIEBRR-MRVPVSSYSA-N	319.283	1.571	50	20	DDGD	
CN(C)C(=O)NNC(=O)CCc1ccccc1OC(F)(F)F	170757694	PGNMSPVNIMUNHJ-UHFFFAOYSA-N	319.283	1.820	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl	117768287	LRTODEBMKKFZJN-UHFFFAOYSA-N	300.702	1.141	50	20	DDGD	
CN(C)N(C(=O)CCc1cccs1)[C@H]1CCS(=O)(=O)C1	68525948	TVLGMAUVRULYMM-NSHDSACASA-N	316.448	1.173	50	20	DDGD	
Cc1ccnc(NNC(=O)c2ccc(N3CCNC3=O)cc2)c1	176764551	NMEWZFSYMLILQT-UHFFFAOYSA-N	311.345	1.677	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)c2ccc(Cl)cc2OC)co1	121301652	DRMLBERFADZJHT-UHFFFAOYSA-N	323.736	1.974	50	20	DDGD	
COC[C@@H](C)NC(=O)NNC(=O)Cc1c[nH]c2ccccc12	125641549	KDKVCSUGGCDKDM-SNVBAGLBSA-N	304.350	1.076	50	20	DDGD	
C[C@@H](CNC(=O)NNc1cncc(Cl)n1)CN1CCCC1	123075856	PADDCLXCZLBGBO-JTQLQIEISA-N	312.805	1.488	50	20	DDGD	
CCOCC(=O)NNC(=O)[C@@H](C)Oc1ccc(OCC)cc1	68193154	CWLQVSJIWDYRMD-LLVKDONJSA-N	310.350	1.037	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1ccc(C(=O)OCC)cc1	67182288	NRUIUIVXVYBRJI-KAMYIIQDSA-N	302.330	1.923	50	20	DDGD	
C=CCC(CC=C)C(=O)NNC(=O)COc1ccc(C#N)cc1	121077921	BQBYAWITILCBGL-UHFFFAOYSA-N	313.357	1.853	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)C(F)(F)C1(O)CCC1	305757255	XCLULCHRVBEPRD-UHFFFAOYSA-N	316.279	1.066	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C[C@H]2C=CCCC2)c1O	189039839	OPMUDAASRGWGAP-NSHDSACASA-N	304.346	1.908	50	20	DDGD	
CCCCC[C@H](CC)C(=O)NNC(=O)CNC(=O)c1ccco1	180196643	INFJWYYCIZMHNI-LBPRGKRZSA-N	323.393	1.763	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C2CC2)N2CCCC2)s1	123686576	NKJXVGIEHSPZRH-CYBMUJFWSA-N	307.419	1.692	50	20	DDGD	
COc1ccc(Cl)cc1CC(=O)NNC(=O)[C@@H]1CCCO1	32259299	ROGHGIXYRRMGIW-LBPRGKRZSA-N	312.753	1.218	50	20	DDGD	
O=C(CCC(=O)c1ccc(F)cc1)NNC(=O)[C@@H]1CCCO1	32262793	WDOJDHPHBKFHAH-ZDUSSCGKSA-N	308.309	1.115	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2nc(C)cc(C)n2)c(C)c1	185518959	XXATVZNBNZPVHQ-UHFFFAOYSA-N	313.361	1.792	50	20	DDGD	
Cc1cc(OC(=O)c2ccc(C(N)=O)nc2)ccc1[N+](=O)[O-]	129889643	ABFPJZSBYNSLBG-UHFFFAOYSA-N	301.258	1.616	50	20	DDGD	
C[C@H]1CCC[C@H]1CC(=O)NNC(=O)Cc1cn2ccccc2n1	184750699	BAVRZVHHPVUTCZ-STQMWFEESA-N	314.389	1.851	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C1C(C)(C)C1(C)C	74823822	VDCRICZYBXSQQQ-UHFFFAOYSA-N	319.405	1.937	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H]1CCCCN1C(=O)c1ccco1	130871059	FBDMKKGGUOYKBD-NSHDSACASA-N	321.377	1.468	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1COc2ccc(F)cc2C1	131830290	DZUGJJZBHXNIHM-JTQLQIEISA-N	318.308	1.319	50	20	DDGD	
CCc1ncc(NC(=O)NNC(=O)Cc2ccccc2F)cn1	183326582	WJAIAWPOAALDEA-UHFFFAOYSA-N	317.324	1.574	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CCCOC(C)C)n1	182733581	DDHOHGGNAWBECI-UHFFFAOYSA-N	309.414	1.971	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cccc2nsnc12	48654858	YHPFBJDZSWYRTL-ZETCQYMHSA-N	314.392	1.047	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)NCC(F)(F)F)cc1	46916780	XJNWBSSLPNVPOG-UHFFFAOYSA-N	321.324	1.980	50	20	DDGD	
COCCCNC(=O)NNC(=O)C1(c2ccccc2F)CC1	134689104	HOIVOUHANVAKNG-UHFFFAOYSA-N	309.341	1.224	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Cc1ccc2c(c1)CCC2	81025199	FCARPKPHZBKVCP-UHFFFAOYSA-N	309.369	1.503	50	20	DDGD	
CCN1CCC(NC(=O)NNC(=O)c2ccc(Cl)cc2)CC1	43293198	OAZNZVCOPXLCRR-UHFFFAOYSA-N	324.812	1.768	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1sccc1-n1cccc1	194899087	ODLJGECBZXNVTP-UHFFFAOYSA-N	320.374	1.225	50	20	DDGD	
Cc1cc(F)ccc1NC(=O)C(=O)NNc1ccnc(F)c1	190297542	JLDIKDFBCJXHCW-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
O=C(CCN1CCCS1(=O)=O)NNc1cccc(Cl)c1	193564245	GGEDLXDYWVUOEE-UHFFFAOYSA-N	317.798	1.209	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CC2C[C@@H]3CC[C@H](C2)N3)n1	237285879	ARTMSWPVRJYMKJ-YOGCLGLASA-N	305.382	1.157	50	20	DDGD	
O=C(CSc1ccc(F)c(F)c1)NNC(=O)c1ccc[nH]1	96951301	IXZDSQMXEOIMCR-UHFFFAOYSA-N	311.313	1.846	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)/C=C\c2ccc(Cl)nc2)[nH]n1	255416613	DDPZOGNKPWXDGI-HYXAFXHYSA-N	305.725	1.241	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N(C)CCOCC1CC1	267956146	OGJXZBOINQALIF-UHFFFAOYSA-N	321.377	1.408	50	20	DDGD	
Cc1c(NNC(=O)[C@H](C)OC[C@H]2CCCO2)cccc1[N+](=O)[O-]	269605624	MHJFARSZGNUCIY-NWDGAFQWSA-N	323.349	1.930	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)CNc1ccc(OC)cc1	269617563	RGUPIQSOQZOZME-LBPRGKRZSA-N	311.407	1.396	50	20	DDGD	
CCOC(=O)NCCC(=O)NNC(=O)c1cc2ccccc2o1	267264601	HCCNQPMFLMQBEY-UHFFFAOYSA-N	319.317	1.330	50	20	DDGD	
C[C@@H](CC(=O)c1ccccc1F)C(=O)NNC(=O)C1CCC1	266297093	BWVZCDVGRLIPMX-JTQLQIEISA-N	306.337	1.982	50	20	DDGD	
CC(C)OC(=O)[C@H](C)CNC(=O)NNc1ccc(Cl)nn1	266761234	GOZNBCWHICMZCD-MRVPVSSYSA-N	315.761	1.344	50	20	DDGD	
O=C(NNC(=O)c1ccnc(OC2CCCCC2)c1)NC1CC1	271561945	SIUNOTUGJRTQTO-UHFFFAOYSA-N	318.377	1.900	50	20	DDGD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	279737006	WPNKSOQNPZZIGP-ZJUUUORDSA-N	319.317	1.361	50	20	DDGD	
O=C(COC1CCCC1)NNc1ccc(C(F)(F)F)nn1	270049714	MXFBMTQCSDSMHT-UHFFFAOYSA-N	304.272	1.898	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCO[C@H](C)C1	272113586	RSDODIZLMMREJJ-VXGBXAGGSA-N	322.361	1.037	50	20	DDGD	
COCCn1cc(NC(=O)NNc2cccc(OC)n2)cn1	272424674	QUPGCBGHXPKZIH-UHFFFAOYSA-N	306.326	1.082	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)CSc1ccccc1O	270731452	UNTVAICIENNFSV-JTQLQIEISA-N	312.391	1.447	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(N(C)C)c2)CCO1	271214078	DVTKNLSPUZVMRC-WCQYABFASA-N	320.393	1.264	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)c2cccnc2)c1CC	277201972	VSPHUMVAMUGALD-UHFFFAOYSA-N	315.377	1.715	50	20	DDGD	
Cc1cc(N(C)C)ccc1NC(=O)C(=O)NNC(=O)CC(C)C	274114609	FXLMQOYUZHASGG-UHFFFAOYSA-N	320.393	1.193	50	20	DDGD	
CCC1(C(=O)NNC(=O)c2cccc(N(C)C)c2)CCOCC1	272263050	XGYMKMGHWFZJJD-UHFFFAOYSA-N	319.405	1.720	50	20	DDGD	
O=C(NC[C@@H]1CCSC1)NNC(=O)c1c[nH]c2ccccc12	279817650	BYTSPCQSFVOAQN-JTQLQIEISA-N	318.402	1.865	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(C)ccc1N1CCCC1	281158674	HXZRTANQOYLPNX-UHFFFAOYSA-N	318.446	1.890	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C1CCC1)[C@@H](c1ccccc1)N(C)C	287845678	DILCGFWPQBGECL-WFASDCNBSA-N	318.421	1.808	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H](CC)Oc1ccccc1C	280902295	DYBIMXDOFVHNNH-GFCCVEGCSA-N	307.419	1.834	50	20	DDGD	
CSSCCNC(=O)N[C@@H](c1nncn1C)C(C)C	286872805	DLQURZZNADRNKT-SECBINFHSA-N	303.457	1.823	50	20	DDGD	
Cc1noc([C@H]2CCCN2S(=O)(=O)CBr)n1	285510760	QXELWDHALBTXME-SSDOTTSWSA-N	310.173	1.197	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NNc1nccnc1C1CCC1	287246194	QNJPZQIBVJEVRI-SNVBAGLBSA-N	306.370	1.024	50	20	DDGD	
CCc1nnsc1C(=O)NNc1nccnc1C1CCC1	286928012	IZQYVIQXEMWTLG-UHFFFAOYSA-N	304.379	1.915	50	20	DDGD	
CCOc1ccc(CCC(=O)NNC(=O)[C@H]2CCCCO2)cc1	295367819	JTXPMNTUAZEARJ-OAHLLOKOSA-N	320.389	1.734	50	20	DDGD	
CC(=O)NCC(=O)NNC(=O)Nc1ccc(Cl)cc1Cl	802089627	QNCWPIOXYBITJL-UHFFFAOYSA-N	319.148	1.282	50	20	DDGD	
Cc1nccn1CCCNC(=O)NNc1ncc(F)cc1F	297336164	JSWJOSDWIUCGMU-UHFFFAOYSA-N	310.308	1.581	50	20	DDGD	
COc1cccc2[nH]cc(CC(=O)NNC(=O)CC3CC3)c12	294097323	IZYHSYNMLLKJMZ-UHFFFAOYSA-N	301.346	1.667	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC12OCCO2	807082958	PMMLTYSKSXSKEW-GFCCVEGCSA-N	307.306	1.581	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)c2cccc(C)n2)o1	294235187	MMYPVOXRLSNBBE-UHFFFAOYSA-N	302.334	1.714	50	20	DDGD	
CC(C)c1ncc(C(=O)NNC(=O)N=c2cc[nH]cc2)s1	802032679	UEELCSBEFSKVTG-UHFFFAOYSA-N	305.363	1.550	50	20	DDGD	
O=C(CCc1nnc(-c2ccccc2)o1)NNC(=O)CC1CC1	294037262	DQJACBIEQMJNDF-UHFFFAOYSA-N	314.345	1.617	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNc1ccccc1C(=O)OC	807194937	PGWRTTVLRJXTHW-UHFFFAOYSA-N	322.361	1.896	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1cccc(O)n1	801599849	FSMKIFUPLIFEGV-UHFFFAOYSA-N	305.721	1.444	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CC2OCCCO2)c1C	801600648	JZPQVICDHKECTD-UHFFFAOYSA-N	323.418	1.774	50	20	DDGD	
COc1cccc(NNC(=O)c2nc3cccnc3s2)n1	801186534	LVVZFVBTGZGSQZ-UHFFFAOYSA-N	301.331	1.852	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc(N2CCNC2=O)cc1	293471730	XCHOFKJCYPSPMO-UHFFFAOYSA-N	320.349	1.386	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1ncoc1C1CC1	294193027	UZBSRDSUJFMGIS-UHFFFAOYSA-N	303.293	1.695	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ncc(Cl)cc1C	291696793	IJFKIKXBENJUAU-SSDOTTSWSA-N	312.757	1.175	50	20	DDGD	
Cn1c(O)nc2cc(C(=O)NNc3ncccc3F)ccc21	804213757	QBUXXTFPBFAVHF-UHFFFAOYSA-N	301.281	1.570	50	20	DDGD	
CC(C)(C)[C@H](NC(N)=O)C(=O)NNc1nccnc1C1CCC1	805465106	UBUREXXJNAOMNB-LLVKDONJSA-N	320.397	1.270	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(C1CCCC1)[C@H](C)CO	805751328	HHTVEAZQVQTRMN-OLZOCXBDSA-N	313.442	1.194	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)C(C)(F)F)cc1	292701866	QOQAXGBWJLJKGE-SECBINFHSA-N	313.304	1.372	50	20	DDGD	
O=C(O)c1ccc2c(c1)CCCCC2=NNC(=O)[C@H]1CCOC1	811649338	JBMGXEUBJMXGCJ-ZDUSSCGKSA-N	316.357	1.968	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)NOC/C=C\Cl	811985112	ZIRUIRWXNCPRHP-UTCJRWHESA-N	308.725	1.796	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NOC/C=C\Cl	811851625	LOHTVXCWCBOJNT-XQRVVYSFSA-N	323.740	1.271	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(-c2nc[nH]n2)cc1F	819556778	GCLVWHDXTICGHL-YFHOEESVSA-N	301.281	1.993	50	20	DDGD	
Cc1ccccc1-n1cc(C(=O)NNc2ncncc2F)cn1	817082691	XPXUZTOXQPGRJA-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
C[C@@H](NC(=O)C1CCCCC1)C(=O)NNc1ncncc1F	817077096	FGISSLATXFTBQE-SECBINFHSA-N	309.345	1.144	50	20	DDGD	
Cc1cc(C)c(NC(=O)C(=O)NNc2ncncc2F)c(C)c1	815764620	NZAZRLHZYUCYFU-UHFFFAOYSA-N	317.324	1.623	50	20	DDGD	
CN1CCN(c2ccccc2NC(=O)NNC(=O)C2CC2)CC1	726871457	SORLKLCZJDUKEW-UHFFFAOYSA-N	317.393	1.001	50	20	DDGD	
O=C(O)Cc1ccccc1NC(=O)C(=O)NNc1ccccc1	821540062	YSLKPHSFPSCEKI-UHFFFAOYSA-N	313.313	1.396	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@@H]3CC[C@@H]3C(N)=O)nc12	828357688	AAFSZCHDPCVECX-DTWKUNHWSA-N	304.375	1.559	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)NN(C)c1ccccc1)C2	496197599	DMQHFICCRQTVIM-CFVMTHIKSA-N	315.373	1.797	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc2c(c1)OC(F)(F)O2	491048872	LRCOZCMFWYYQPW-POHAHGRESA-N	310.256	1.678	50	20	DDGD	
CCN(CCc1ccccn1)C(=O)/C(C#N)=C/c1cnn(C)c1	822707555	ZXZQBHKWZYAVFL-XNTDXEJSSA-N	309.373	1.813	50	20	DDGD	
Cc1cc(/C=C(\C#N)C(=O)NCCC(N)=O)c(C)n1CC(C)C	490664595	SEVPOVMUUHWMIV-OVCLIPMQSA-N	316.405	1.660	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccccc1N(C)C(=O)C1CC1	823971237	RNVFPFDSEAETMT-LLVKDONJSA-N	305.378	1.017	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@H](C)C[C@@H]1c1ccco1	827948570	HQHAJJMFAMGDDV-QWHCGFSZSA-N	307.394	1.856	50	20	DDGD	
Cc1cc(C)n(CCCC(=O)NNC(=O)c2cccc(F)n2)n1	826695157	MSVKDAKRGZIJPZ-UHFFFAOYSA-N	319.340	1.275	50	20	DDGD	
Cn1cc(-c2nn[nH]n2)cc1C(=O)NNc1ncccc1Cl	822645938	XSLUOAZSYOBDRY-UHFFFAOYSA-N	318.728	1.011	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@H]2OCCc3ccccc32)cn1	823315793	UCWDWWDAOAYJSO-XYMPBJBSSA-N	322.368	1.757	50	20	DDGD	
CC(C)S(=O)(=O)CCNC(=O)[C@@]1(C)C[C@H]1Br	822026522	JVIFOICPTHTXTC-SCZZXKLOSA-N	312.229	1.099	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@H](CCO)C2CCCCC2)cn1	491176944	SRIYPLHYCGTGDA-HTRKUNOGSA-N	316.405	1.775	50	20	DDGD	
O=C(NN=Cc1ccsc1)C1CCN(c2ncccn2)CC1	728784166	ZTCZEWXGWBBMAM-UHFFFAOYSA-N	315.402	1.905	50	20	DDGD	
CCCNC(=O)NN=C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2	497021117	XAJRQDUAUXQQNE-NHYWBVRUSA-N	310.398	1.938	50	20	DDGD	
Nc1ccc(C(=O)NN=Cc2ccccc2-c2nn[nH]n2)cc1	826395882	XCHDPYMXOWBQIH-UHFFFAOYSA-N	307.317	1.213	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCC2(C#N)CCC2)cc(C#N)n1C	490979939	ZIZDNDAZTAAGRS-NSIKDUERSA-N	307.357	1.922	50	20	DDGD	
N#Cc1ccc(C(=O)NN=Cc2ccccc2-c2nn[nH]n2)cc1	826384405	UGAQCTVLVVOGCM-UHFFFAOYSA-N	317.312	1.502	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cnn(-c2cccc(C)c2)c1C	495628224	DXHASMSHASFJTA-UHFFFAOYSA-N	302.334	1.832	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2cc(C)cc(C)c2)n1	821746775	HKKJCTYPSJXDPL-UHFFFAOYSA-N	301.350	1.928	50	20	DDGD	
O=C(NN=Cc1ccc(-c2nn[nH]n2)cc1F)c1ccccc1	823273130	FMMPIDOQKYUXEF-UHFFFAOYSA-N	310.292	1.770	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C2(CN(C)C)CC2)ccc1F	823416766	XJQXSMOJPPGOBD-UHFFFAOYSA-N	309.341	1.397	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)CCNC(=O)OC(C)(C)C)cn1	494948449	BZJSCRFSONAWSP-UHFFFAOYSA-N	323.397	1.658	50	20	DDGD	
CC(C)n1c(O)nc2ccc(C(=O)NN(C)[C@@H](C)CO)cc21	823912598	INPQCKLDHFYEDT-JTQLQIEISA-N	306.366	1.280	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCCSCC(F)(F)F)cn1	491083831	MXLJKENNMWFBII-ONNFQVAWSA-N	318.324	1.739	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](C)C1CCN(C(=O)OCC)CC1	490907715	ILMOTTVEWVOYTE-SEVUAYLXSA-N	323.393	1.804	50	20	DDGD	
C[C@](O)(CNC(=O)[C@@]1(C)C[C@H]1Br)c1ccco1	906861624	XJAMRJKLGNFKQM-ZHAHWJHGSA-N	302.168	1.777	50	20	DDGD	
C=C(CI)n1cc([C@H](O)C2CC2)nn1	900640903	GWRROEBIUQMICQ-SECBINFHSA-N	305.119	1.627	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNc2cc(C)nc(C)n2)nc1	825945837	XMEVDIBAJVEVQQ-UHFFFAOYSA-N	315.333	1.422	50	20	DDGD	
O=C(O)[C@@H]1C[C@H]1C(=O)NNC(=S)Nc1cccc(Cl)c1	739545953	CHQKLBQGNDKCJJ-RKDXNWHRSA-N	313.766	1.378	50	20	DDGD	
C[C@@H]1C[C@H]1[C@@H](NC(=O)c1cccc(B(O)O)c1)c1ccccc1	584951435	NTTDJSRVBFCDAT-JLZZUVOBSA-N	309.174	1.494	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)COc1ccc(C)c(C)c1	822195930	OFHKQLDCYAWDGO-AWEZNQCLSA-N	308.378	1.645	50	20	DDGD	
CC(=O)NCC1CCN(C(=O)[C@@]2(C)C[C@H]2Br)CC1	906396006	GJXGSZICJGKCOO-YPMHNXCESA-N	317.227	1.535	50	20	DDGD	
O=C(c1ccc(Oc2ccccc2)nc1)N1CC[C@@H](B(O)O)C1	585069717	PKFDBMMRWICHIW-CYBMUJFWSA-N	312.134	1.563	50	20	DDGD	
O=C(NNC(=O)C1(c2ccc(F)cc2)CCCC1)c1ncon1	832826419	ZHPBPZRDFIXHME-UHFFFAOYSA-N	318.308	1.482	50	20	DDGD	
NC(=O)c1cccc(CN(C2CC2)S(=O)(=O)CCl)c1	831845325	YLGDHGNGUJKEBV-UHFFFAOYSA-N	302.783	1.276	50	20	DDGD	
CCCN1CCC[C@H](C(=O)NNC(=O)NC2CCCCC2)C1	905104842	WKEKNLIUHYCTGX-ZDUSSCGKSA-N	310.442	1.772	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C/c1cccc(O[C@H](C)C(=O)O)c1	490610045	GNQCGZWKZLINSE-KAQJVSAMSA-N	300.314	1.748	50	20	DDGD	
CCOc1ncc(C)cc1NC(=O)NNc1nccnc1OC	836707463	FGBXTDSSICIPBO-UHFFFAOYSA-N	318.337	1.736	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(OC)cc1	730576889	MTVCHIJYULGHFO-GFCCVEGCSA-N	324.402	1.360	50	20	DDGD	
Cc1ccc2c(c1)C(=NNC(=O)[C@H]1CCS(=O)(=O)C1)CC2	730947622	ABQANTHFSJZXLO-LBPRGKRZSA-N	306.387	1.196	50	20	DDGD	
COc1ccccc1OCC(=O)NN=CCCc1cnn(C)c1	834922531	HYAVLSLFPSNDPA-UHFFFAOYSA-N	316.361	1.542	50	20	DDGD	
C[C@@H]1CC[C@@H](CNC(=O)NNC(=O)c2cc3ccccc3o2)O1	838741396	CVFBIPWGMIMLKU-PWSUYJOCSA-N	317.345	1.944	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)NCC1CCCCCC1	836604865	YNGZELJYIXAORB-UHFFFAOYSA-N	305.382	1.810	50	20	DDGD	
C#C[C@H](NC(=O)NNc1ccc(OCC)cc1)[C@@H]1CCCO1	838557760	BYDXZBNPBCPTCQ-GJZGRUSLSA-N	303.362	1.892	50	20	DDGD	
OB(O)c1cccc(-c2noc(C3(C(F)(F)F)CCC3)n2)c1	585051770	DIANPMQFCOJTPZ-UHFFFAOYSA-N	312.056	1.400	50	20	DDGD	
COC(=O)c1cc(OC(=O)c2ccnc(C)n2)ccc1[N+](=O)[O-]	732654079	LGVYSNKBRAOJEP-UHFFFAOYSA-N	317.257	1.699	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CSC2COC2)cc1C	901641661	JKNJRQFWRIXEDM-UHFFFAOYSA-N	314.432	1.512	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cnc(NC2CC2)s1	900001559	AWBJBNZODXJGGV-UHFFFAOYSA-N	305.363	1.131	50	20	DDGD	
C[C@@H](c1ccc(NC(=O)NNC(=O)O)cc1)N1CCOCC1	736718707	VFMMVGNKPHQGTO-JTQLQIEISA-N	308.338	1.384	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1nnc2ccccc2c1O	731865670	QOTRNUXCTHJZLJ-UHFFFAOYSA-N	322.324	1.719	50	20	DDGD	
CC[C@@H](CNCc1ccccc1B(O)O)Oc1ccccc1F	585031752	YCRJCIYDRMKOIL-AWEZNQCLSA-N	317.169	1.453	50	20	DDGD	
CC(C)CO[C@H](C)c1noc(COc2ccc(B(O)O)cc2)n1	584909538	MKUMLOAPWILIBL-LLVKDONJSA-N	320.154	1.062	50	20	DDGD	
Cc1ccc(NNC(=O)NCCc2ccc(C(=O)O)cc2)nn1	738632992	TVQITPSQLGMZPN-UHFFFAOYSA-N	315.333	1.352	50	20	DDGD	
COC(=O)CCCC(=O)NNc1cccc(Br)n1	839793021	RVTREGUDHPPQSA-UHFFFAOYSA-N	316.155	1.631	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](CCC(C)C)NC(C)=O)nc1	832645769	LCEYNFTUNHBSSH-ZDUSSCGKSA-N	308.382	1.474	50	20	DDGD	
CCN(CC)C(=O)CNC(=O)NNc1ccc(F)c(F)c1	914395675	NPAKYZZNXZOFCX-UHFFFAOYSA-N	300.309	1.459	50	20	DDGD	
COc1ccc(C)cc1CNC(=O)NNC(=O)[C@H]1CCCCO1	836208809	NYHXPCIAVUJMSN-CQSZACIVSA-N	321.377	1.403	50	20	DDGD	
COc1ccccc1CN1CCN(S(=O)(=O)CCl)CC1	830376567	ZYSWGXDSDSJOHH-UHFFFAOYSA-N	318.826	1.339	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc2[nH]ccc2n1)C1CC1	912160750	OGFSDILPZVMCHF-QMMMGPOBSA-N	303.391	1.470	50	20	DDGD	
CCN(C)C(=O)COC(=O)/C(C#N)=C\c1ccc(OC)cc1	746541711	NJKXBFIDMRHTCV-LCYFTJDESA-N	302.330	1.624	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H](C)Oc1ccccc1C(F)(F)F	910165210	HUHLPKCGFGQNPL-UWVGGRQHSA-N	320.311	1.817	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1ccc(C(N)=O)o1)c1ccccc1	747409324	FOLFVEAMRTWKFX-UHFFFAOYSA-N	315.329	1.117	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccc3ccccc3n2)n1	740104475	MODQPVXAGUEMFY-UHFFFAOYSA-N	308.345	1.848	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H](C)Cc2cccc(O)c2)n1	919784651	VMGVOSJJNNRQQX-JTQLQIEISA-N	317.349	1.448	50	20	DDGD	
COc1ccnc(NNC(=O)c2c(C)nc(C(C)C)nc2O)n1	747205666	GPHDQAFJPKJTKQ-UHFFFAOYSA-N	318.337	1.170	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(C)(C)Nc1ccccc1	911503720	VWJKJFDEXUVXFZ-WCQYABFASA-N	305.378	1.450	50	20	DDGD	
CC[C@@H](N)CNC(=O)NNC(=O)c1ccc(Cl)cc1Cl	842006272	LIIQHGZORJLOBS-MRVPVSSYSA-N	319.192	1.675	50	20	DDGD	
CCCN(CC)Cc1ccc(C(=O)NN(C)C[C@H](C)O)cc1	910165847	ORSVHGDSHHLFNJ-AWEZNQCLSA-N	307.438	1.876	50	20	DDGD	
O=C(NNC(=O)c1cccc2ccccc12)N[C@@H](CO)CCF	846713701	YVUICFFCGJICRO-GFCCVEGCSA-N	319.336	1.504	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C(C)c1ccn(C)n1	841602195	BLJSZAWGRLLGRE-UHFFFAOYSA-N	301.350	1.381	50	20	DDGD	
O=C(NN=Cc1cc(-c2ccccc2)ccc1O)C(=O)NC1CC1	749443221	CWSGKBHKFSEZAC-UHFFFAOYSA-N	323.352	1.788	50	20	DDGD	
COc1ccc2c(c1)c(C(=O)NN(C)C[C@@H](C)O)c(C)n2C	910147913	WFBGQHUNWSVNBJ-SNVBAGLBSA-N	305.378	1.453	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CN2[C@@H](C)CC[C@@H]2C)cc1	846374484	QWAWJVDLMZQAGH-STQMWFEESA-N	319.405	1.718	50	20	DDGD	
COc1ccccc1CCC(=O)NNC(=O)Cc1cc(C)[nH]n1	843514770	VDFKWQCGPANDCG-UHFFFAOYSA-N	316.361	1.049	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)[C@H]1CCc2nnnn2CC1	846247624	UTZPWZFZIGPIRK-JTQLQIEISA-N	320.784	1.731	50	20	DDGD	
O=C(NNS(=O)(=O)CCC1Cc2ccccc2C1)C1CCC1	844655019	WXZJVORPHXWAQW-UHFFFAOYSA-N	322.430	1.542	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1CCCN1c1ncccn1	848081437	YAYURLIXIOHLCH-VIFPVBQESA-N	303.193	1.708	50	20	DDGD	
CCOCC(=O)NN=Cc1cc(OC)c(OC)cc1SC	741164660	VGNWGXMDUXQTQB-UHFFFAOYSA-N	312.391	1.912	50	20	DDGD	
COC(=O)c1ccccc1CSCC(=O)NNC(=O)C(C)C	845340667	RRELCZSLSTYWKL-UHFFFAOYSA-N	324.402	1.510	50	20	DDGD	
Cc1ccc(C(=O)NNC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)c(O)c1	917585338	WUECGLJEURJFBE-GVXVVHGQSA-N	319.430	1.998	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C(C)c1ncccn1	841606475	HXHNBUPLJORKAL-UHFFFAOYSA-N	314.345	1.795	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1C[C@@]12CCc1ccccc12	743340116	ZVPCJXWTIBKNFG-WMLDXEAASA-N	310.357	1.383	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC(n2ccnn2)CC1	867044123	GIHLSCIUZWEJLE-UHFFFAOYSA-N	320.846	1.510	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNc1ncnc2ccsc12)C(=O)O	848589797	ODXMRKNYDJPLIC-MRVPVSSYSA-N	323.378	1.674	50	20	DDGD	
O=C(C=C1CCC1)NNC(=O)CSc1ccccc1[N+](=O)[O-]	844127729	UERYFFAPBMMMIH-UHFFFAOYSA-N	321.358	1.945	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccc(OCC2CC2)cc1	841112995	FCEDGVFFZQBEDM-UHFFFAOYSA-N	306.366	1.367	50	20	DDGD	
CC[C@@](C)(O)C(=O)NNC(=O)COc1cc(C)ccc1C(C)C	929237979	QYJYAOWEQCJAET-QGZVFWFLSA-N	322.405	1.806	50	20	DDGD	
O=C(NN=C1CCCc2ccccc21)N[C@H]1CCS(=O)(=O)C1	920380234	IFKBUOCNGBQSAP-LBPRGKRZSA-N	321.402	1.213	50	20	DDGD	
C[C@H](CNC(=O)OC(C)(C)C)C(=O)NCCCSC#N	854360016	FAIQIRZWMTVXKE-SNVBAGLBSA-N	301.412	1.868	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(F)ccc2O)c(O)c1	751063129	LDKNXRKMUQBZKB-UHFFFAOYSA-N	304.277	1.620	50	20	DDGD	
CCn1nccc1NC(=O)NNC(=O)c1cccc(OC)c1O	757903694	ZCVJTICCEZSMAD-UHFFFAOYSA-N	319.321	1.084	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCc3nn(C)cc32)cn1	857935188	BHFWRDJBMKNCNG-NFEOESJKSA-N	310.361	1.254	50	20	DDGD	
CC(C)N1CC(=NNC(=O)[C@H]2COc3ccccc3O2)[C@@H](C)C1	754256603	XFVNKQYKNZDCOU-BLLLJJGKSA-N	317.389	1.659	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cccc2[nH]ncc12)C1CC1	855103354	QVZDIVCSPCQUDR-QMMMGPOBSA-N	303.391	1.470	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccnc(Cl)c1F	855090699	MKUWLHDWCRRWSC-UHFFFAOYSA-N	316.789	1.783	50	20	DDGD	
N#CC[C@@H]1CCCN(CC(=O)NNC(=O)c2ccccc2)C1	852319598	PYNFVCDGOJDKRO-ZDUSSCGKSA-N	300.362	1.073	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](C)NC(C)=O)c(C(F)(F)F)c1	857265588	SVYQBBVJUKMIRG-ZETCQYMHSA-N	319.283	1.682	50	20	DDGD	
CN(Cc1cccc(C#N)c1)C(=O)NNC(=O)C1CCCC1	753358391	ZIMMETQFGYOZEG-UHFFFAOYSA-N	300.362	1.921	50	20	DDGD	
CCn1cnc(C(=O)NNC(=O)CNc2ccc(C)cc2)c1	856791057	GGONMRSWLZUPFJ-UHFFFAOYSA-N	301.350	1.085	50	20	DDGD	
C[C@@](O)(CC(=O)NNC(=O)NCCc1cccs1)C1CC1	755664659	NKSOBBKODOSGPE-CQSZACIVSA-N	311.407	1.172	50	20	DDGD	
O=C(C[C@H]1CSCCS1)NNc1ncc(Cl)cn1	857357061	FMOKXXFNOQHQGP-QMMMGPOBSA-N	304.828	1.812	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1cc(Cl)nc(Cl)c1	755274759	BRXDMRIQYVBSBE-UHFFFAOYSA-N	314.132	1.115	50	20	DDGD	
CN1CC[C@@H]2CN(C(=O)NC[C@@]3(C)C[C@@H]3Br)C[C@@H]21	856896472	CNEDIXZDGHYEEP-MPPDQPJWSA-N	316.243	1.505	50	20	DDGD	
CC(=O)NNC(=O)CCc1cc(Br)ccc1F	759759295	YPAGDHRSAHKUOP-UHFFFAOYSA-N	303.131	1.688	50	20	DDGD	
CC(C)OC(=O)/C(C#N)=C/c1cccc(NS(C)(=O)=O)c1	853003302	IPHUNKUMLOIRHU-KPKJPENVSA-N	308.359	1.917	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccc2scnc2c1	756303183	ZJKPNPOCPCZOFM-UHFFFAOYSA-N	316.346	1.794	50	20	DDGD	
Cc1nn(C(C)(C)C)cc1C(=O)NNC(=O)OCC(F)(F)F	856022917	QJPCDZVEXJBCOT-UHFFFAOYSA-N	322.287	1.880	50	20	DDGD	
CC(C)N1CC(=NNC(=O)c2cc([N+](=O)[O-])ccc2O)[C@H](C)C1	754259893	REESRCWVFODJHD-SNVBAGLBSA-N	320.349	1.746	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@@]1(c2ccccc2)CCCO1	935126620	QWSLNYYWQRXGJJ-HNNXBMFYSA-N	302.309	1.765	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNCC(F)(F)C(F)(F)F)cc1	863092063	DGFKPOWZCZRANO-UHFFFAOYSA-N	311.210	1.218	50	20	DDGD	
O=C(NNC(=O)c1ccc(-c2cc[nH]n2)s1)c1ccncc1	761384084	DLOXPUDOPAIXCG-UHFFFAOYSA-N	313.342	1.608	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(C=O)s1	868137634	KHAVXSFQVIZAKI-UHFFFAOYSA-N	314.363	1.111	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2cn[nH]c2)n2c1CCCC2	863151429	BEUPETLIPJXLOF-UHFFFAOYSA-N	315.333	1.098	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNc2ccc(C(F)(F)F)nn2)[C@@H]1C	860401478	LIMOWMMPBSEUKC-UVMAFCGOSA-N	318.299	1.998	50	20	DDGD	
C[C@@H](NNC(=O)c1cc(C(F)(F)F)nn1C)C(F)(F)F	862320331	ISSZRVUXKVWFAX-SCSAIBSYSA-N	304.194	1.624	50	20	DDGD	
COc1nccnc1NNC(=O)c1cccc2nc(O)oc12	764460786	NXCBTKDRPDAQQN-UHFFFAOYSA-N	301.262	1.089	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccn(-c2ccccc2)n1	768545715	BVPNZGKJVYTRLW-UHFFFAOYSA-N	302.338	1.570	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1CCN(CC(F)(F)F)C1)C(F)(F)F	862317692	LTPIWAZOAZTTRE-NKWVEPMBSA-N	307.238	1.442	50	20	DDGD	
CC(Cc1ccc(F)cc1Cl)=NNC(=O)[C@H]1CCC(=O)N1	863151565	OJYFLCRJZPZIPU-GFCCVEGCSA-N	311.744	1.792	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@H](C(=O)O)c1ccccc1	864494498	IZZVCGGIONPPHC-NSHDSACASA-N	319.810	1.997	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCCc2cccs2)c(C)nn1	767327348	LNDZHTZYYOLTRI-UHFFFAOYSA-N	319.390	1.342	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2CCCc3nc(O)ccc32)n1	764669006	YBYVMSNFNDOTCO-UHFFFAOYSA-N	313.361	1.457	50	20	DDGD	
CCn1ncc2cc(C(=O)NN[C@H](C)C(F)(F)F)c(C)nc21	862320481	SJTUQQNOTRPTLS-MRVPVSSYSA-N	315.299	1.945	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cccc(OCC(=O)O)c2)n1	766859972	ANYNLJDBSONFCH-UHFFFAOYSA-N	316.317	1.314	50	20	DDGD	
O=C(CN1CCc2ccccc21)NNCC(F)(F)C(F)(F)F	863094893	XWBHPMKKUMIHLQ-UHFFFAOYSA-N	323.265	1.868	50	20	DDGD	
CC(=NNC(=O)c1nnc(O)c2ccccc12)c1cscn1	767895688	AELIVPOTYSBJTE-UHFFFAOYSA-N	313.342	1.946	50	20	DDGD	
C[C@]1(C(=O)N2CCC3(CC2)CC(=O)N3)C[C@@H]1Br	1119623845	IGQWSCNVWOUIGK-KWQFWETISA-N	301.184	1.041	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)CSc1ccccc1O	764045156	CNYGPVVTJIFUNM-UHFFFAOYSA-N	317.370	1.649	50	20	DDGD	
O=C(CCCOC1CCOCC1)NNc1nc2ccccc2[nH]1	870208266	BEKDBHOXXALALL-UHFFFAOYSA-N	318.377	1.982	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)NC2CCCC2)c(C)nc1C	777241933	OWDPOPRCBCGVAX-UHFFFAOYSA-N	318.377	1.788	50	20	DDGD	
C[C@@H](CO)CCCNC(=O)NNC(=O)c1ccccc1Cl	1116389750	ADNGHGLFVXIMMO-SNVBAGLBSA-N	313.785	1.693	50	20	DDGD	
Nc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)c1ccccc1F	779491404	OMDXNDSGAFRAQZ-UHFFFAOYSA-N	318.264	1.391	50	20	DDGD	
CC(=NNC(=O)COc1cc(C)cc(C)c1)c1cn(C)cn1	872329305	NDSNOOYKXQRVRR-UHFFFAOYSA-N	300.362	1.956	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)COC1(C)CCC1	772955611	XSUJUPZATOIXND-LLVKDONJSA-N	324.352	1.700	50	20	DDGD	
O=C(NNc1ccccn1)C1CCN(CC(F)(F)F)CC1	777474897	CTPDCGLVWBAFDZ-UHFFFAOYSA-N	302.300	1.799	50	20	DDGD	
CCOC(=O)C1(CNC(=O)NNc2cccc(OC)n2)CC1	770558335	DGFWDYZMCSGMCZ-UHFFFAOYSA-N	308.338	1.060	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)c1ccc([N+](=O)[O-])cc1O	771858223	JQDQPMZRIWIXCS-UHFFFAOYSA-N	319.248	1.514	50	20	DDGD	
CCCN1CCC(NC(=O)NNc2ccc(C#N)cn2)CC1	888388373	YENGMOBPGAWJMI-UHFFFAOYSA-N	302.382	1.454	50	20	DDGD	
CCc1cnccc1CNC(=O)NNc1cncc(Cl)n1	779409684	NQIGMTRZNAACBL-UHFFFAOYSA-N	306.757	1.914	50	20	DDGD	
C[C@H](NS(=O)(=O)CCCCl)[C@H](O)Cc1ccccc1	882006494	PGXGJPKWRAMDDT-WCQYABFASA-N	305.827	1.527	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](c1ccccc1)C(C)C	772162569	UVUVHFRJWDXTDK-IUODEOHRSA-N	320.389	1.915	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCC(=O)NC1(C#N)CCCCC1	786674874	YEFSPDJDPAVAAJ-JYRVWZFOSA-N	301.346	1.732	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCC(=O)NCc1cc(F)cc(F)c1	786676737	BOGWELJPJKEXFD-KGVSQERTSA-N	320.295	1.984	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2ncncc2Cl)CN1C1CC1	780998417	UYORTHZXPUVLEB-BDAKNGLRSA-N	310.789	1.381	50	20	DDGD	
CCNC(=O)Nc1cccc(NC(=O)NNC(=O)C(C)C)c1C	788728112	JWDAKGYSVRCPOY-UHFFFAOYSA-N	321.381	1.945	50	20	DDGD	
Cc1cnccc1C(=O)OCC(=O)NNC(=O)c1cccs1	786031451	BBGCKLFKNKOCRC-UHFFFAOYSA-N	319.342	1.070	50	20	DDGD	
O=C(Cc1ccc(Cl)cn1)NNC(=O)NCc1ccco1	785955025	IFSLHSYDYPDFDJ-UHFFFAOYSA-N	308.725	1.401	50	20	DDGD	
Cc1nn(C)c(NC(=O)C(=O)NNc2cccnc2Cl)c1C	784843195	CUJOILLFDRMEOT-UHFFFAOYSA-N	322.756	1.167	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)/C=C(\C)Cl	899939749	AMKKVCJUCJPUGU-CSKARUKUSA-N	312.753	1.754	50	20	DDGD	
NC(=O)[C@H]1CCC[C@H](C(=O)NNc2ncnc3ccsc23)C1	787125811	JURYLCPJTSBWCQ-IUCAKERBSA-N	319.390	1.426	50	20	DDGD	
O=S(=O)(CBr)N1CCC[C@H](n2ccnc2)C1	782434756	KTUVZRCJNYDELT-VIFPVBQESA-N	308.201	1.202	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)NNC(=O)COc2ccccc2F)C1	780783457	CUDWUAUIXXZHCS-MNOVXSKESA-N	309.341	1.724	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H](C)c1ncnn1C	789692874	HVGRNFQBVJOHRR-SECBINFHSA-N	310.789	1.358	50	20	DDGD	
CCS[C@H](C(=O)O[C@H](C)C(=O)NNC(=O)CC)C(C)C	785817724	CARYCQDLNKOFFQ-KOLCDFICSA-N	304.412	1.253	50	20	DDGD	
CCC[C@H](C)N1C[C@@H](C(=O)NNc2ccnc(F)c2)CC1=O	781363386	ADPOCXCHAZHLRE-QWRGUYRKSA-N	308.357	1.701	50	20	DDGD	
CC[C@H]1CCC[C@H](C=NNC(=O)Cc2cc(O)nc(O)n2)C1	783849400	LCCNEDAKULPOTH-QWRGUYRKSA-N	306.366	1.749	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1c(Cl)ccc2cccnc12	781124262	BZOFFIIIOZRBJF-UHFFFAOYSA-N	320.736	1.694	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@@H](O)Cc2ccccc2)c1	793758026	ICWMOIHQVMDSQA-LBPRGKRZSA-N	316.748	1.653	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCSCC[C@@H]2C)c1	794571245	XAMPSALLQYUDAR-ZDUSSCGKSA-N	321.446	1.583	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CCCc1nccs1	899997169	JYKDXIKZSYLKIL-UHFFFAOYSA-N	300.453	1.760	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)c1cc(C2CC2)no1	799332836	BNKSIKHSDNXNOP-UHFFFAOYSA-N	324.340	1.968	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)/C=C/c1ccc(O)c(O)c1	899995853	IDHWBHPIHYJFGF-FNORWQNLSA-N	309.391	1.405	50	20	DDGD	
C=C(CBr)COC(=O)c1ccc2c(c1)C(=O)NC2=O	795498818	YOCWDRICYDOVDL-UHFFFAOYSA-N	324.130	1.678	50	20	DDGD	
CSSCCNC(=O)Cc1cnn(-c2ccccc2)n1	791158118	MNLXTQRRMHQBGE-UHFFFAOYSA-N	308.432	1.937	50	20	DDGD	
CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cc(C)c(C)o1	799877174	PMWXWAFJIFPZDS-LLVKDONJSA-N	313.379	1.107	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53	793422740	CRIRWQZFCUYFAC-JFKOBQNLSA-N	323.396	1.166	50	20	DDGD	
COc1cccc(C=NNC(=O)CCN2CCCCCC2)n1	790151472	IVYQJXWHLNLKAY-UHFFFAOYSA-N	304.394	1.806	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2sc(S)nc2C)n1	794075212	MGJXMPSNLRRORB-UHFFFAOYSA-N	322.415	1.447	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1ccc(F)cc1C#N	792375289	HFJAHSFTGRJVEC-UHFFFAOYSA-N	313.292	1.483	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1ccc2c(c1)OCO2	792375957	MTGBKHHHWMOEFZ-UHFFFAOYSA-N	314.301	1.201	50	20	DDGD	
CCCNC(=O)NNC(=O)CCc1cnc2ccccc2c1	792091517	BGXXOPPMPSRZIH-UHFFFAOYSA-N	300.362	1.908	50	20	DDGD	
Cc1ccc(-n2cnnn2)cc1NC(=O)NNc1ncccc1C	790596586	KAFRQRYHZNBYSZ-UHFFFAOYSA-N	324.348	1.823	50	20	DDGD	
O=C(NNc1ncncc1F)c1cnccc1C(F)(F)F	1329619337	ZJWSLVUZWGDHRJ-UHFFFAOYSA-N	301.203	1.786	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H](C)CN2CCCCCC2)ncn1	1324884656	ZFXXRTBLRDPUEU-CYBMUJFWSA-N	303.410	1.747	50	20	DDGD	
Cc1ccc(CO[C@@H](C)C(=O)NNC(=S)NC(C)C)cc1	1328689296	MVLCMMXORBORII-LBPRGKRZSA-N	309.435	1.804	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@H]1CCC(C)(C)c2ccccc21	1322252958	GISOQZSOHLIBMB-LBPRGKRZSA-N	319.361	1.303	50	20	DDGD	
C[C@@H]1CCCCN1C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1328546842	FKPQLQJRRONYAS-GBIKHYSHSA-N	317.227	1.677	50	20	DDGD	
C[C@]1(CNC(=O)CNC[C@H]2CCCO2)C[C@@H]1Br	1328591136	ZTDWIFUPULZTNK-JFGNBEQYSA-N	305.216	1.045	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cnn(C)c2C(F)F)cc1	1322390600	ISKLOXFQBAYYJT-UHFFFAOYSA-N	324.287	1.441	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NCc2ncccn2)nn1	1332258280	JHJXUKHSVLITGO-UHFFFAOYSA-N	301.354	1.390	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)Cc1cc(C)cc(C)c1	1330506832	NYLQMXCDSDWXTI-UHFFFAOYSA-N	319.405	1.298	50	20	DDGD	
CCSC1(CNC(=O)NNc2nncc(N)c2Cl)CC1	1330780968	VRHCLNTZWQWPHE-UHFFFAOYSA-N	316.818	1.624	50	20	DDGD	
COCCN(CCOC)S(=O)(=O)c1ccc(CCl)cc1	88931722	PTZHLDYIXIPINZ-UHFFFAOYSA-N	321.826	1.709	50	20	DDGD	
O=C(NNc1cccnn1)c1c[nH]nc1-c1ccc2c(c1)OCO2	1254614184	CJLLMKISRAEQAN-UHFFFAOYSA-N	324.300	1.352	50	20	DDGD	
COC1(OC)CC(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)C1	1339384727	HMNCJFWWZYDRDN-AUWJEWJLSA-N	316.357	1.814	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NN=c2cc[nH]c(C)c2)C12CCC2	1349358257	QFXPRFDHSXEQQD-UONOGXRCSA-N	304.394	1.786	50	20	DDGD	
Cc1c(NC(=O)CCl)cccc1S(=O)(=O)NC1CC1	1341524955	ZZDVOENOUCVCRK-UHFFFAOYSA-N	302.783	1.613	50	20	DDGD	
O=C(NNC(=O)c1cnc(C2CC2)[nH]1)c1cccc([N+](=O)[O-])c1	1343089212	KDDCEPSPSNFFFL-UHFFFAOYSA-N	315.289	1.270	50	20	DDGD	
CO[C@H]1CCC[C@H]1C(=O)NNC(=O)COc1cc(C)cc(C)c1	1356583345	DNAVCTLFZQISBS-CABCVRRESA-N	320.389	1.645	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNc1ncncc1F)c1cnn(C)c1	1522443514	ANQCQSHQYBGFIK-LLVKDONJSA-N	307.333	1.373	50	20	DDGD	
Cn1nc(CC(=O)NNc2cccc(C(=O)O)c2)c2ccccc21	1601010674	RAPRAMQTQPNCCX-UHFFFAOYSA-N	324.340	1.957	50	20	DDGD	
CCn1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c(C)n1	1604603008	OKQXOHZHHJSEAG-UHFFFAOYSA-N	312.337	1.148	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNc2ccccc2C(=O)O)c1C	1605936551	FTXYZGRMDHUYRI-UHFFFAOYSA-N	316.361	1.904	50	20	DDGD	
C[C@@H](OCc1cn(/C(Cl)=C\CBr)nn1)C(=O)O	1607427364	XKEBTQPNAMWSLN-WNGQPZJSSA-N	324.562	1.700	50	20	DDGD	
O=C(Cc1cccc(C(=O)O)c1)NNc1cccc([N+](=O)[O-])c1	1608364143	ANWDGIRDTPYLRZ-UHFFFAOYSA-N	315.285	1.979	50	20	DDGD	
CO[C@@H](C(=O)NNc1cccc(C(=O)O)c1C)[C@@H]1CCOC1	1606650440	LHNIDOUOOHDLPB-ZWNOBZJWSA-N	308.334	1.188	50	20	DDGD	
O=C(Cc1cnn2ccccc12)NNc1ccccc1C(=O)O	1601373651	FCZCKGIESWZKQM-UHFFFAOYSA-N	310.313	1.718	50	20	DDGD	
O=C(O)CNC(=O)NN=C(C[C@H]1CCOC1)c1ccccc1	1608754164	KYUAETNQJSQTPY-LLVKDONJSA-N	305.334	1.201	50	20	DDGD	
CC(C)C[C@@H](C(=O)O)N(C)S(=O)(=O)CBr	1609701906	SSPHHYPJUICIEZ-ZETCQYMHSA-N	302.190	1.100	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)Nc2cccc(CC(=O)O)c2)CCCO1	1603292429	KJCNJHZSMOIVSV-HNNXBMFYSA-N	321.333	1.036	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)NCC2CC(F)(F)C2)cc1	1602127897	DPHQNJPFOGVNLC-UHFFFAOYSA-N	313.304	1.985	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CC[C@@H](CCC(=O)O)O2)cc1F	1600461087	CGEAODONUOJXHG-WCQYABFASA-N	310.325	1.990	50	20	DDGD	
O=C(Cc1noc2ccccc12)NNc1ccc(C(=O)O)cn1	1610676911	GIMHVBKRAWMEBN-UHFFFAOYSA-N	312.285	1.607	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)c1cc2n(n1)CCCC2	1610700960	ZSLNFSDNLZWXGN-UHFFFAOYSA-N	318.308	1.814	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)ccc1F	1549317045	JIIRKMCGXUKEJW-DOMZBBRYSA-N	321.352	1.148	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@@H]1C=NNC(=O)c1cnn(C)c1	1552759250	LVNMFOCVABGEQY-YPMHNXCESA-N	316.365	1.130	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C=NNC(=O)[C@H]1CCCOC1	1552455317	VXPYPLRHOJUJSU-VNHYZAJKSA-N	320.393	1.416	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C[C@H](N)C(C)(C)C)c1	1579672521	FLVUNABJUWKWIW-AWEZNQCLSA-N	321.421	1.593	50	20	DDGD	
COc1ccc(O)c(C(=O)NNc2ncccc2C(=O)O)c1	1574218527	HGVZYHBDBHQUQJ-UHFFFAOYSA-N	303.274	1.251	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@H]1CCCS1)[C@@H](N)c1ccccc1	1575092600	PULDIAINKOXLKB-STQMWFEESA-N	321.446	1.756	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)c2cnoc2)C1	1843473577	USDUUGSWPSLIHH-VIFPVBQESA-N	301.705	1.026	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnco1	1847925793	LCZDATFECMCLPV-VWYCJHECSA-N	311.769	1.507	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)COCC)C1	1842692219	ZTDODTGLVXVMGN-GFCCVEGCSA-N	316.829	1.634	50	20	DDGD	
O=C(Cc1cccnc1Cl)NNc1ncccc1C(=O)O	1594711455	VTFZQSUPKYPXDT-UHFFFAOYSA-N	306.709	1.514	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=Cc1cccc(OCC(=O)O)c1	1776102566	SOWKFIXQGILPAB-CHWSQXEVSA-N	306.318	1.025	50	20	DDGD	
CO[C@@H]1C(=NNC(=O)c2cccc(C(=O)O)c2)[C@H]2CCC[C@@H]21	1776096734	PHPGYEMCJKBURO-OBJOEFQTSA-N	302.330	1.916	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NNc2cccc([N+](=O)[O-])c2)C1	151537491	UDHKPEZVIFTLCO-NSHDSACASA-N	306.322	1.296	50	20	DDGD	
N#Cc1cccc(NNC(=O)CCS(=O)(=O)C2CCCC2)c1	152328353	GFBZVZKGUYFKLD-UHFFFAOYSA-N	321.402	1.749	50	20	DDGD	
CCc1nn(C)c(Cl)c1C(=O)NNC(=O)c1cccnc1	156546935	HCJRALGIDVPEEV-UHFFFAOYSA-N	307.741	1.106	50	20	DDGD	
CC(=O)Nc1cccc(NC(=O)NNc2ncccn2)c1C	154555676	ZNEFAIIYFVHOTJ-UHFFFAOYSA-N	300.322	1.892	50	20	DDGD	
CCn1cc(C(=O)N(C)NC(=O)OCc2ccccc2)nn1	826919595	ARVNOZJGFJCPQZ-UHFFFAOYSA-N	303.322	1.211	50	20	DDGD	
COCCOCCN(Cc1ccccc1)S(=O)(=O)CCl	830845734	RMRYZYLFOZQMRM-UHFFFAOYSA-N	321.826	1.678	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2cccc(O)c2)c1	6970377	ZOJYYFBOLJLSEV-UHFFFAOYSA-N	314.341	1.849	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2ncccc2Cl)c1	173603049	YPLXLJLLTVVLGL-UHFFFAOYSA-N	304.737	1.852	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCc2ccc(F)cc2)cc1	57980330	SIGZIMPKXIFONM-UHFFFAOYSA-N	312.304	1.842	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]1c1c(F)cccc1F)c1ccncc1	116161272	IGYCOHDGSBOSJB-MNOVXSKESA-N	317.295	1.925	50	20	DDGD	
O=C(CN1CCCCC1=O)NNC(=O)c1cc2ccccc2o1	177744057	UCHOIIOIMKUPHO-UHFFFAOYSA-N	315.329	1.206	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc2oc(=O)ccc2c1	55617355	KNIXDCDNUBDOTC-VIFPVBQESA-N	324.358	1.149	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2CCc3ccc(F)cc32)n1	106577466	LXGFZTZNMBBBEB-LBPRGKRZSA-N	317.324	1.938	50	20	DDGD	
CC(=O)c1cccc(NC(=O)NNC(=O)Cc2cccnc2)c1	103504357	ZYBDQYJNSADBER-UHFFFAOYSA-N	312.329	1.680	50	20	DDGD	
CCCC[C@@H](NNC(=O)c1ccc[nH]1)C(=O)Nc1cc(C)on1	112518264	VPWMPLZTJNOEPY-GFCCVEGCSA-N	319.365	1.743	50	20	DDGD	
CCCOc1ccc(CNC(=O)NNc2ncccn2)cn1	107856416	ROGJSEZDGLYWFG-UHFFFAOYSA-N	302.338	1.487	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCO[C@@H](C#N)C2)cc1	171733412	CQNXONNMURNKLW-IDJPSDCMSA-N	311.341	1.743	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)COc2ccccc2F)cc1	26695705	ZOUSIVOCYPLNIY-UHFFFAOYSA-N	316.332	1.903	50	20	DDGD	
COc1cc(/C=C(/C#N)C(N)=C(C#N)C#N)cc(OC)c1OC	119879938	DLNUWJHYXADSAW-WCIBSUBMSA-N	310.313	1.879	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cn(Cc3ccccc3)nn2)n1	26362206	LNEPPXSDPIJDIM-UHFFFAOYSA-N	323.360	1.490	50	20	DDGD	
Cc1c(CCC(=O)NNc2ccc([N+](=O)[O-])cc2)cnn1C	179457642	XLYGLQDDUMSFKU-UHFFFAOYSA-N	303.322	1.713	50	20	DDGD	
Cc1ccsc1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	68742316	KKBATLMMVXXGAX-JTQLQIEISA-N	302.421	1.162	50	20	DDGD	
C[C@H]1SCCN(C(=O)NNC(=O)c2ccc(C#N)cc2)[C@@H]1C	118476979	LYFUXEADSSIPPN-GHMZBOCLSA-N	318.402	1.738	50	20	DDGD	
C[C@@H](C(=O)NNc1ncnc2nc[nH]c12)c1cccc(F)c1	173934779	GIABBZHSLDRYEB-MRVPVSSYSA-N	300.297	1.739	50	20	DDGD	
NC(=O)[C@H](NNC(=O)COc1ccc(F)cc1)c1ccccc1	26222768	CXYROKNHLLFXIC-OAHLLOKOSA-N	317.320	1.052	50	20	DDGD	
Cc1nc(CCCC(=O)NNC(=O)NCc2ccco2)cs1	175829652	OXEDFJWJNJPPFD-UHFFFAOYSA-N	322.390	1.898	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)o1	175209489	GBCPHFOMPHMYIT-UHFFFAOYSA-N	303.274	1.879	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)CCCN1C(=O)CN(C)C1=O	184312511	ARIFGIWKDJHBFW-UHFFFAOYSA-N	322.340	1.251	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCc2ccc3[nH]ccc3c2)cn1	180885729	YSTNQZOJCAKSDI-UHFFFAOYSA-N	311.345	1.295	50	20	DDGD	
CCc1oc2ccccc2c1C(=O)NNC(=O)Cc1cc[nH]n1	186133383	PLZNINOKHFKBBI-UHFFFAOYSA-N	312.329	1.722	50	20	DDGD	
COc1cccc(NNC(=O)NCCC2CCN(C)CC2)n1	181432797	RQUUULNASKECMS-UHFFFAOYSA-N	307.398	1.448	50	20	DDGD	
CCCn1cc(C(=O)NNc2ccc(OC)cc2[N+](=O)[O-])cn1	183283474	KXEXVXUCLMHYLQ-UHFFFAOYSA-N	319.321	1.967	50	20	DDGD	
C[C@@H]1CCN(CC(=O)NNC(=O)c2ccccc2)C[C@H](C)C1	127899962	MCTLGSLLALXMBK-ZIAGYGMSSA-N	303.406	1.816	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCC(=O)N1CCCCC1	185143914	HNLSQCINAJNVPV-UHFFFAOYSA-N	308.357	1.773	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cc(Br)ccc1O	77219282	ZFOPDKPRPXYASM-UHFFFAOYSA-N	315.167	1.962	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1cn(Cc2cccs2)nn1	182483069	FWYHXQGVEWRXDA-UHFFFAOYSA-N	318.337	1.679	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1cccc(O)c1O	186805658	CARISFSKAUKKCG-UHFFFAOYSA-N	304.277	1.241	50	20	DDGD	
CCN(C)C(=O)[C@@H](C)NC(=O)NNc1cc(F)c(F)c(F)c1	187871354	YJSVFRBECNLHCP-SSDOTTSWSA-N	318.299	1.597	50	20	DDGD	
Cc1ccccc1Sc1ccc(C(=O)NNC(=O)CO)cc1	182768091	JHUVGJYGKPGGTK-UHFFFAOYSA-N	316.382	1.900	50	20	DDGD	
O=C(NC[C@H]1CCCO1)NNC(=O)c1cccc2cccnc12	138801397	WKYZQAXBOFVIBU-GFCCVEGCSA-N	314.345	1.358	50	20	DDGD	
O=C(Cn1ccccc1=O)NNc1ncc(Cl)cc1Cl	132849757	BSIQLTDDIIGYPZ-UHFFFAOYSA-N	313.144	1.693	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1	184363991	HMVRAVJRSBZZGC-JTQLQIEISA-N	317.324	1.353	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=O)[C@H]1COc2ccccc2O1	184895659	LQGWRPIZKAMPRD-CYBMUJFWSA-N	302.330	1.023	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)CC(C)(C)C)c1cccc(C#N)c1	83031272	YFNZDFVTEPCMQG-AWEZNQCLSA-N	303.362	1.829	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1	89660188	RLGLXBRGNFMHPR-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
CC(C)Cc1ccc(CC(=O)NNC(=O)N2CCOCC2)cc1	194902836	JFGVRGGKDHXXLC-UHFFFAOYSA-N	319.405	1.501	50	20	DDGD	
Cc1c([C@@H](C)NC(=O)NNC(=O)c2ccccc2F)cnn1C	47007185	HZLHRFFOFOKSEA-SECBINFHSA-N	319.340	1.573	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCc2ccccn2)n1	81675253	KFDLUJPOQVZQQT-UHFFFAOYSA-N	302.338	1.057	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCCOc1ccc(F)cc1	42759430	DADOMAOLDNIGDL-UHFFFAOYSA-N	311.382	1.666	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CCCCCNC(C)=O)c1	130818605	RHYGUBDIIQKLBY-UHFFFAOYSA-N	311.357	1.974	50	20	DDGD	
N#CCOc1cccc(CC(=O)NNC(=O)c2ccccc2)c1	89598784	XYKXESODEGOEMB-UHFFFAOYSA-N	309.325	1.593	50	20	DDGD	
CCOc1ccc2cc(C(=O)NNC(=O)C(C)(C)O)[nH]c2c1	190071023	SCESXWBCHJTPIO-UHFFFAOYSA-N	305.334	1.099	50	20	DDGD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NNc1cc(C#N)cc(Cl)n1	93546304	FCQDGTNZNWKYJW-ONGXEEELSA-N	324.768	1.634	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cc(OC)cc2c1O[C@H](C)C2	255891754	TXFUKOMNLDCHOZ-DKTFCQPKSA-N	316.357	1.688	50	20	DDGD	
CN1CCO[C@H](C(=O)NNc2cc(Cl)ccc2Cl)C1	267982555	PIKCUFCDTUWOON-NSHDSACASA-N	304.177	1.767	50	20	DDGD	
CN1CC[C@H](N(C)/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C1=O	267375399	LEWIWVMKUKSGSD-GUNGLEHYSA-N	300.318	1.622	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C2CCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-]	264668139	FWFRJEZRVFTIQE-UHFFFAOYSA-N	322.277	1.373	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C#Cc1ccc2c(c1)OCO2	268453137	AWNKMUWKPPGQNB-UHFFFAOYSA-N	304.302	1.323	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](C)CC(=O)c1ccccc1F	272666163	JBIWIGCJTNMKLX-JTQLQIEISA-N	309.341	1.727	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1c(F)cccc1Cl	277542868	WZXZNVKYNJWBRS-SNVBAGLBSA-N	300.717	1.809	50	20	DDGD	
CCNC(=O)N(C)NC(=O)/C=C/c1cc(OC)cc(OC)c1	272994359	NLNLYSJVTCHUSP-VOTSOKGWSA-N	307.350	1.410	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCSc1ccc(OC)cc1	274374019	FEBWKCYNZPRZNU-UHFFFAOYSA-N	311.407	1.870	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)N[C@H]1CCCOCC1	271908867	PDWSIZBJRMTXDS-VIFPVBQESA-N	307.379	1.887	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc([N+](=O)[O-])c1)c1ncnn1C	276889670	LGSIJATVAUWNHU-MRVPVSSYSA-N	305.298	1.111	50	20	DDGD	
Cc1ccn(C[C@@](C)(O)C(=O)NNc2cccc(F)c2)c(=O)c1	279791122	ITFAREAZQBXBSN-MRXNPFEDSA-N	319.336	1.190	50	20	DDGD	
COCCCOc1cccc(NC(=O)NNC(=O)C2CC2)c1	274101751	JZPRTEUWVIYTGB-UHFFFAOYSA-N	307.350	1.665	50	20	DDGD	
COCCOc1cc(C(=O)NNC(=O)OC(C)(C)C)ccn1	272046607	RCIJNHUASSZQOA-UHFFFAOYSA-N	311.338	1.276	50	20	DDGD	
CC(C)NC(=O)NNC(=O)Cc1cccc(N2CCCC2=O)c1	278798489	NIXQTXWEODDFAI-UHFFFAOYSA-N	318.377	1.095	50	20	DDGD	
COC(=O)NNC(=O)CCC(=O)N(CCC#N)c1ccccc1	274282852	KIEAMWNADWVIJZ-UHFFFAOYSA-N	318.333	1.101	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2cccc(C(F)(F)F)n2)CC1	289072838	AJYAHPYEOPNBDJ-UHFFFAOYSA-N	323.296	1.121	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2cccc3ncccc23)CCC1	284180788	ZGKLQKHHLYECSF-UHFFFAOYSA-N	313.357	1.813	50	20	DDGD	
Cc1noc(C)c1C(C)(C)C(=O)NNC(=O)c1cccnc1	280640318	CJUKGPVMVSTVJP-UHFFFAOYSA-N	302.334	1.425	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(Br)cc1F	288328258	DUIZCZKJVYVWAZ-UHFFFAOYSA-N	305.147	1.811	50	20	DDGD	
C[C@H]1Oc2c(cccc2C(=O)NNc2ncccc2F)NC1=O	804219131	CDMBYJAVAMJFJI-MRVPVSSYSA-N	316.292	1.697	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccnc3ccncc23)c1	806790723	LGZIFWDQQWZPDW-UHFFFAOYSA-N	317.308	1.576	50	20	DDGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2cn(C)cn2)cc1	800792389	DIYIVQUEOKQFEL-GHXNOFRVSA-N	309.329	1.924	50	20	DDGD	
COCc1ccccc1NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	292784655	XJYAHWOCIIYYCU-GWCFXTLKSA-N	307.350	1.553	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1	291546187	AEVJTBWVKUCWSJ-CABZTGNLSA-N	322.321	1.165	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cnc2[nH]c(O)nc2c1	809558006	JHLZPMHLTWPYOM-UHFFFAOYSA-N	311.301	1.047	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(C)(C)c1ccc2c(c1)OCO2	293044653	ORDSBTCHDCYWKY-UHFFFAOYSA-N	306.362	1.886	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNC(=S)N[C@H](C)C1CC1	290878999	BFTPMDBGNRYYDT-LLVKDONJSA-N	301.415	1.504	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CC[C@](CO)(c2ccccc2)C1	292184107	MRHSWUXAJRUNEV-WKOYGUFESA-N	300.358	1.593	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@H](C)CN(C)C	293776331	NWNXZWYXNDGZAN-JTQLQIEISA-N	300.834	1.666	50	20	DDGD	
C[C@@H](Oc1cccc(F)c1)C(=O)NNC(=O)NC1CCCC1	299380750	ZPANTPIZKNXAHZ-SNVBAGLBSA-N	309.341	1.866	50	20	DDGD	
CC(C)[C@H](O)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	292205406	PNSMJIFDNQUCNB-JTQLQIEISA-N	322.333	1.143	50	20	DDGD	
COc1ccnc(NNC(=O)NCCCCCN2CCCC2)n1	297580269	UEMWKGJKSREFED-UHFFFAOYSA-N	322.413	1.377	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](C)c2c(F)cncc2F)o1	805862008	PTOLGULVVACLSZ-QMMMGPOBSA-N	324.287	1.966	50	20	DDGD	
CC(C)N(CC(=O)NNC(=O)c1ccc(F)cc1)CC(F)F	298607836	LWKMBDKSXNXMPW-UHFFFAOYSA-N	317.311	1.562	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1cncc(-n2ccnn2)c1	801929691	SVYXUMCMWRWAOA-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(Cl)n1)c1nnc2n1CCC2	292514942	DJYXCJRFJJDXFE-QMMMGPOBSA-N	321.772	1.660	50	20	DDGD	
COCCN(C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1	294391027	MRUMBOUOQQQEJV-UHFFFAOYSA-N	319.321	1.004	50	20	DDGD	
C[C@H]1CCC[C@]1(O)CNC(=O)/C(C#N)=C\c1ccc(O)cc1	294133695	KVQJJBVGEOPHGO-VCUISZMASA-N	300.358	1.966	50	20	DDGD	
O=C(CC1CC(c2ccccc2)C1)NNC(=O)[C@@H]1CCCO1	292131944	LJRVRIYEUNSEFE-ZALBZXLWSA-N	302.374	1.897	50	20	DDGD	
CCOC(=O)C1CCC(NC(=O)NNc2ncccn2)CC1	299293075	HOVIDHWOFIDYLD-UHFFFAOYSA-N	307.354	1.225	50	20	DDGD	
CC(C)C(=O)NN=C1CCCc2ccc(S(N)(=O)=O)cc21	811632998	FTJFCKWXFCYXOS-UHFFFAOYSA-N	309.391	1.147	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1ccc(C(=O)O)c(F)c1	814954813	OZNLJDJUCXCFBC-UHFFFAOYSA-N	304.281	1.330	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1COc2cccc(Cl)c21	814760793	GYFVUCLCQJCVGD-UHFFFAOYSA-N	307.737	1.175	50	20	DDGD	
O=C(NNc1ncncc1F)[C@@H]1C[C@H](c2ccccc2)OC1=O	817071441	SWJUVSBOCIDKGK-CMPLNLGQSA-N	316.292	1.363	50	20	DDGD	
CO[C@H]1CCC[C@@H](C(=O)NNC(=O)CCc2ccccc2O)C1	814409403	HVCZCULRIOQMJU-KGLIPLIRSA-N	320.389	1.677	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)Cc2ccccc2F)cn1	814842302	BGQRSPTUQJQVDZ-UHFFFAOYSA-N	301.325	1.375	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)C(C)(C)c2ccccc2)n1C	811642536	VZHWABAOKBGIHV-UHFFFAOYSA-N	313.405	1.914	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1ccc(-n2ccnc2S)cc1	816632564	OPRRIABAYZRNHQ-UHFFFAOYSA-N	301.335	1.036	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(F)cc1)[C@H](C)N1CCOCC1	729623025	FAWGVOKQRZJCML-RYUDHWBXSA-N	310.373	1.561	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H]2C[C@@H](C)Cc3c[nH]nc32)n1	816860453	MBAPFLBLRAGLNU-WCBMZHEXSA-N	302.338	1.018	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)Cc1ccsc1	726075937	JRSSQIQNJIMULB-UHFFFAOYSA-N	301.437	1.165	50	20	DDGD	
CCc1onc(-c2ccccc2)c1C(=O)NN(C)[C@H](C)CO	823927778	GECHRZRYKAABNY-LLVKDONJSA-N	303.362	1.861	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CC1(NC(=O)OC(C)(C)C)CCC1	823951954	OAJPSZBLVVWFCS-LLVKDONJSA-N	315.414	1.168	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@H](C)c2ncc[nH]2)cc(C#N)n1C	820267411	BSHMCWQQOPDCBH-YRVKEHPISA-N	308.345	1.713	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@@H]3CCNC(=O)C3)nc12	828362366	IDPWSTMAXQOLMA-SECBINFHSA-N	304.375	1.574	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2c[nH]nc2C)c(C(C)C)n1	823176446	VMGVKJHVUUBZPW-UHFFFAOYSA-N	301.350	1.620	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(F)c(C(F)(F)F)cc1F	823885078	VKAXRRKDXFTMIJ-UHFFFAOYSA-N	312.238	1.943	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)/C=C\[C@H]2CCOC2)c(OC)c1	493254409	CIJYDOQYXWGYSQ-UUSYTGMJSA-N	320.345	1.058	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)C[C@@H](CC)O1	827259916	MPQREFJLSQTZLH-WUHRBBMRSA-N	313.398	1.042	50	20	DDGD	
CCN(CCO)NC(=O)c1cccc(OCc2cscn2)c1	823842110	PKTKXRHSUUPNAT-UHFFFAOYSA-N	321.402	1.681	50	20	DDGD	
O=C(CCC[C@@H](O)c1ccccc1)NNC(=O)NCC1CC1	823803888	GYYGCZDKUKGCSM-CQSZACIVSA-N	305.378	1.631	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccc(OC(F)F)c1)n1cccn1	728484619	DQIBYMQMNUGUEY-VIFPVBQESA-N	324.287	1.507	50	20	DDGD	
CCOC(=O)NNC(=O)c1cnn(CC)c1-c1ccccc1	496592275	QRBGPOUWCLGDGJ-UHFFFAOYSA-N	302.334	1.961	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCCc3c(F)cc(F)cc32)cc1	585044014	XVNZWDQLFFHLJV-QGZVFWFLSA-N	317.144	1.812	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCO[C@H](C(C)(C)C)C2)cn1	491173748	FHXYXWIESBNLBN-LVOZBFFPSA-N	302.378	1.601	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCC1CC(F)(F)C1	826946829	QWZHWSULSWDITC-WCBMZHEXSA-N	305.325	1.177	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)cc(Cl)n1	820937167	SFQJWJJTUNNVBK-NSHDSACASA-N	311.769	1.628	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)O1	825182891	MDALYTPNUNMULZ-VXGBXAGGSA-N	302.338	1.267	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NOCC1CCC1	824022795	VHJLHEYYLMUMML-UHFFFAOYSA-N	317.349	1.318	50	20	DDGD	
COc1ccc(C[C@H](C)CNCc2ccccc2B(O)O)cc1	585031543	HCQIVAGQVGCCNZ-AWEZNQCLSA-N	313.206	1.343	50	20	DDGD	
COC(=O)NCC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	490751287	QKVPBTSKXCDUKD-UHFFFAOYSA-N	302.674	1.047	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H](NC(=O)CC(C)C)c1ccccc1	823856692	XRVAYZRJSWERLR-INIZCTEOSA-N	321.421	1.235	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCCS1	826448443	VQGKCWMIOFYRSY-LLVKDONJSA-N	304.379	1.596	50	20	DDGD	
CC[C@H](O)[C@@H](C)C(=O)NNC(=O)c1cccc(OC(F)F)c1	900561422	IYNDOGJPPITLQA-KCJUWKMLSA-N	316.304	1.456	50	20	DDGD	
O=C(c1cc2nc(Cl)ccc2s1)N1CC[C@H](B(O)O)C1	585068319	ZYYMBKDLPLCWPB-ZETCQYMHSA-N	310.571	1.639	50	20	DDGD	
C[C@]1(C(=O)N[C@@H](CO)Cc2ccccc2)C[C@@H]1Br	907394669	QWCKATMETMJPRH-DYEKYZERSA-N	312.207	1.880	50	20	DDGD	
Cc1nc(-c2ccccc2)c(C(=O)N2CC[C@H](B(O)O)C2)s1	585070304	VLPMUZNKTYKMPI-LBPRGKRZSA-N	316.191	1.807	50	20	DDGD	
NNC(=O)CCC(=O)c1ccc(I)cc1	731450566	CEZHLMMJMDCAHB-UHFFFAOYSA-N	318.114	1.244	50	20	DDGD	
CC(C)OC(=O)CC[C@@H](C)NC(=O)NNC(=O)OC(C)(C)C	492413824	SGQWYVWJMRHUQD-SNVBAGLBSA-N	317.386	1.846	50	20	DDGD	
O=C(O)NCCC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	738658400	ZJPGEBFWYRHJDU-UHFFFAOYSA-N	319.239	1.124	50	20	DDGD	
Cc1ccc(N2CCC(C(=O)NNC(=O)C3CCC3)CC2)nc1	732141631	LCZDACZRAQNHIQ-UHFFFAOYSA-N	316.405	1.554	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H]1CCCCO1)c1ccc(OC)cc1	833243372	RDWNQJOVHFWXPU-CABCVRRESA-N	320.389	1.905	50	20	DDGD	
CCC(Cc1cccs1)=NNC(=O)[C@@H](C)NS(C)(=O)=O	730952108	SFGZZHCXEDVNGA-SECBINFHSA-N	317.436	1.111	50	20	DDGD	
O=C(NNc1cccc(F)n1)C1CN(C(=O)C2CCCCC2)C1	836788244	RQSAHRBPJCUNBW-UHFFFAOYSA-N	320.368	1.703	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@@H]1CCC[C@H](C(=O)O)C1	833147214	YDJLKFPXDLQJCH-ZJUUUORDSA-N	309.322	1.001	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NC[C@@H]1CC[C@@H](C)O1	838743871	HIKAOACKCNRQSX-YPMHNXCESA-N	321.377	1.136	50	20	DDGD	
CCOC(=O)[C@@H](CC(=O)NNc1cccc([N+](=O)[O-])c1)C(C)=O	830761524	COPIZEGWSDMNJE-LBPRGKRZSA-N	323.305	1.196	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cc(Br)c[nH]2)n1	834928527	AGZSTBBLXODMPA-UHFFFAOYSA-N	324.182	1.741	50	20	DDGD	
CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NCc1ccc(B(O)O)o1	585027578	BPDXYMCRVKRUPZ-BMIGLBTASA-N	323.585	1.479	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H]2C[C@H]2c2c(F)cccc2F)o1	585042351	BAKZXLHZFCWFSH-GXSJLCMTSA-N	307.105	1.131	50	20	DDGD	
O=C(NC[C@@H]1CCCC[C@H]1C1CC1)c1cccc(B(O)O)c1	584997765	JQDHKLHYZNOROO-HOCLYGCPSA-N	301.195	1.313	50	20	DDGD	
Cc1nc(-c2ccccc2)ccc1C(=O)N1CC[C@@H](B(O)O)C1	585069271	KISCTRUGIGFCPA-CQSZACIVSA-N	310.162	1.746	50	20	DDGD	
CC[C@@H](Oc1ccccc1Cl)C(=O)NN(C)C[C@@H](C)O	910161728	AGOMKIKVURWYRO-ZYHUDNBSSA-N	300.786	1.841	50	20	DDGD	
O=C(Cn1cc(C2CC2)cn1)NNc1ccc([N+](=O)[O-])cc1	830757273	LIRPMFZLGIKHHB-UHFFFAOYSA-N	301.306	1.812	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2CCN3CCC[C@H]3C2)n1	916573327	KVQSYLDDOJYZFD-STQMWFEESA-N	304.398	1.346	50	20	DDGD	
N#CC1=CCN(C(=O)C2CN(C(=O)C3CCCCC3)C2)CC1	836782216	QCKNIVGBIBRRQJ-UHFFFAOYSA-N	301.390	1.707	50	20	DDGD	
CCOc1cccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)n1	831672709	PTLWDQHEURPHET-UWVGGRQHSA-N	308.338	1.058	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1ccc2ncccc2c1	741652982	KYUDHWGYYVKBFF-UHFFFAOYSA-N	322.390	1.527	50	20	DDGD	
CC(=O)N[C@@H](C)C(=O)NNC(=S)Nc1ccc(C)cc1C	913428416	VXGKUGBFVOBIAV-JTQLQIEISA-N	308.407	1.146	50	20	DDGD	
Cc1csc(CCNC(=O)NNc2cncc(Cl)n2)n1	916573679	PCGRMPYPCOCONA-UHFFFAOYSA-N	312.786	1.764	50	20	DDGD	
CC(=NNC(=O)Cc1nc2ccccc2n1C)c1cn(C)nc1C	917536943	ZGSSCVVMGWSCNN-UHFFFAOYSA-N	324.388	1.698	50	20	DDGD	
O=C(NN=Cc1cc2cc(F)ccc2o1)[C@@H]1CCS(=O)(=O)C1	741760206	VHJXKRZKGMDGNX-SECBINFHSA-N	324.333	1.457	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CCO[C@@H](C)C2)c1F	837060389	BQVWRDOJPTZLLY-VHSXEESVSA-N	310.325	1.871	50	20	DDGD	
Cc1ccncc1C(=O)NNC(=O)COc1ccc(C#N)cc1	742033145	IUYUIQAYFSFPOT-UHFFFAOYSA-N	310.313	1.102	50	20	DDGD	
C[C@H](NC(=O)C1CCCC1)C(=O)NNC(=O)NC1CCCCC1	916106889	CNMACDHONFMITO-NSHDSACASA-N	324.425	1.344	50	20	DDGD	
CN(C)CCOc1ccc(C=NNC(=O)c2ccccn2)cc1	915933505	YEWIHBMIYYDPRZ-UHFFFAOYSA-N	312.373	1.786	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=S)NC1CCCCC1	740772056	FQFAXZVWUBRQNP-UHFFFAOYSA-N	314.455	1.119	50	20	DDGD	
CC[C@@](O)(CC(=O)NNC(=O)c1ccc[nH]1)c1ccccc1	840245391	UGTHBCGAVAZYDC-MRXNPFEDSA-N	301.346	1.464	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)COc1cc(C)cc(C)c1	749755107	CCPGDLQNXJBWPU-GFCCVEGCSA-N	309.435	1.976	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cncc(Br)c1	914845248	ZLIGIQZATZCXBL-UHFFFAOYSA-N	312.167	1.795	50	20	DDGD	
CC(C)(Nc1ccccc1)C(=O)NNC(=O)CC(F)(F)F	911424944	FRTWQPOBTGSIFA-UHFFFAOYSA-N	303.284	1.977	50	20	DDGD	
O=C(O)COc1ccc(C=NNC(=O)Cc2ccncc2)cc1	747645594	FOZXGIFKLCWAAT-UHFFFAOYSA-N	313.313	1.238	50	20	DDGD	
CC[C@@H](C)[C@@H](C)NC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	745771417	AGTGSLPYQFXUTF-RKDXNWHRSA-N	324.337	1.679	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)[C@@H]1CCO[C@H]1c1ccncc1	846252537	ZDNSFTYCEKGIHM-YPMHNXCESA-N	320.299	1.976	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H](C)[C@@](C)(OC)C2CC2)n1	840416520	MMOOAUYXRAFRAH-LKFCYVNXSA-N	309.370	1.315	50	20	DDGD	
CC(C)(C)C(=O)N1CCC(NC(=O)NNc2ccccn2)CC1	916375054	FAVMIQSMXZBVHJ-UHFFFAOYSA-N	319.409	1.745	50	20	DDGD	
O=C(CC[C@@H]1CCCO1)NNc1cc(O)nc2ncccc12	913995274	LHPOPOPKRGPZFK-JTQLQIEISA-N	302.334	1.738	50	20	DDGD	
COCC1(CC(=O)NNC(=O)Nc2ccc(N(C)C)cc2)CC1	843879369	CRAUSIACFNDQRC-UHFFFAOYSA-N	320.393	1.722	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NN=C1CN2CCC1CC2	915049771	SWPBNMPXQWPYHR-LLVKDONJSA-N	305.353	1.791	50	20	DDGD	
CSCCCNC(=S)NNC(=O)c1cccc(Cl)n1	849298507	HDWVKBDUQRKIOX-UHFFFAOYSA-N	318.855	1.597	50	20	DDGD	
CC(C)COc1ncc(C(=O)NN(C)C[C@@H](C)O)cc1Cl	910152641	RMZFUFZCFHVEQR-SNVBAGLBSA-N	315.801	1.727	50	20	DDGD	
CN(C)CC(=O)NNC(=O)C1(c2cccc(Cl)c2)CCC1	749530788	MXHXUIJLUVKDSA-UHFFFAOYSA-N	309.797	1.471	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@H]2CCO[C@@H](C)C2)cc1	845086911	QDKGQUVXKUWRLQ-FZMZJTMJSA-N	321.377	1.596	50	20	DDGD	
C[C@H]1CC(=NNC(=O)[C@H](C)CN2CCCCCC2)c2ncnn21	841613947	JRCJQTGUCWBDFM-OLZOCXBDSA-N	318.425	1.575	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)c1ncccn1)C1CCCC1	841583576	XIRUDIWGUZVMOX-UHFFFAOYSA-N	305.382	1.637	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C[C@H](C)n2ccnc2)cc1	846376804	GUFIPTMBVQTKKI-LBPRGKRZSA-N	316.361	1.693	50	20	DDGD	
COc1cc(OC)c(OC)cc1C=NNC(=O)[C@H]1CCO[C@H]1C	842556168	QWXGVOZTMSUPSL-JQWIXIFHSA-N	322.361	1.588	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H]1CCN(Cc2ccccc2)C1	847393781	HTZJQQJNCROCMF-CQSZACIVSA-N	304.394	1.249	50	20	DDGD	
CC(C)C(=O)NNC(=O)CSc1ccc(-c2ccco2)nn1	845351253	OUWQGLUBFUEXAN-UHFFFAOYSA-N	320.374	1.632	50	20	DDGD	
C[C@@H]1C[C@@H](C)N(CC(=O)NNC(=O)c2ccccc2Cl)C1	744404263	LYHWAZQYCGMCCJ-GHMZBOCLSA-N	309.797	1.831	50	20	DDGD	
COc1ccc2c(c1)c(C(=O)NNC(=O)NC1CC1)c(C)n2C	843775544	ZPVJICFCJYJQEY-UHFFFAOYSA-N	316.361	1.602	50	20	DDGD	
CO[C@H](C=NNC(=O)[C@H](C)Oc1ccccc1F)[C@H]1CCOC1	841613351	WOXTZSPXCLILFI-SLEUVZQESA-N	324.352	1.747	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C[C@@H](C)n2cccn2)cc1	846377183	OKJWGKLCWHDNSN-GFCCVEGCSA-N	316.361	1.693	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCN(C)c3ccccc32)n[nH]1	750795192	NSZPUCLSOQZMJH-GFCCVEGCSA-N	313.361	1.103	50	20	DDGD	
CO[C@]1(CNC(=O)NNc2cc(F)ccc2F)CCOC1	921984550	INZIHVLONZPVGC-ZDUSSCGKSA-N	301.293	1.396	50	20	DDGD	
Cc1onc(CO)c1C(=O)NC[C@@]1(C)C[C@@H]1Br	857732524	ASKLICCATNOCDE-GZMMTYOYSA-N	303.156	1.379	50	20	DDGD	
CCc1nc(CNC(=O)NNc2ccc(Cl)cc2F)n[nH]1	922644432	KIAUXTFVCMALEW-UHFFFAOYSA-N	312.736	1.986	50	20	DDGD	
CN1CCN(c2ncc(C=NNC(=O)CC(C)(C)C)cn2)CC1	755697108	CCTPGVMHCHTISS-UHFFFAOYSA-N	318.425	1.115	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccc2c(c1)OCCCO2	755452716	NERPQRAVAIMCPV-UHFFFAOYSA-N	305.334	1.801	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)NCC[C@H](C)N)c1C	857114516	QTKZONIAZSXVMC-WCQYABFASA-N	322.409	1.138	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1cc(Cl)ccc1F	755454466	NKMGJZQQHLWLFL-UHFFFAOYSA-N	309.688	1.736	50	20	DDGD	
CN(C)C(=O)NN=C1C(=O)Nc2ccc(C(F)(F)F)cc21	754261400	WNEDIZBMPLLQHX-UHFFFAOYSA-N	300.240	1.633	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)CC2(C#N)CC2)C[C@@H]1Br	856754328	GQMNHQXTSFNZOD-IUCAKERBSA-N	307.213	1.383	50	20	DDGD	
CC1(C)[C@@H](O)C[C@H]1NC(=O)NC[C@@]1(C)C[C@@H]1Br	856951529	ACGDCPCXLILOBD-KIKITERTSA-N	305.216	1.619	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@@H](CCN)C2)C[C@H]1Br	857104747	AMJBTYCUYXWJFH-DMDPSCGWSA-N	318.259	1.930	50	20	DDGD	
COC1(CNC(=O)NNc2ccc(F)c(F)c2)CCOCC1	921577629	JBWHSDATQRUUBK-UHFFFAOYSA-N	315.320	1.787	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Nc2ccc(C#N)cc2Cl)cn1	757727531	SQPNWOIKFUYWJU-UHFFFAOYSA-N	318.724	1.412	50	20	DDGD	
O=C(COC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)NNC(=O)c1cccs1	753873064	IJFWYRVMIQTXKH-GARJFASQSA-N	322.386	1.489	50	20	DDGD	
COCCCOc1ccc(C(=O)NNC(=O)C2CCCC2)cn1	751080613	IUNDWXPXLDVBII-UHFFFAOYSA-N	321.377	1.448	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(C)cc1	858692239	SBTYBFCBABOICG-OLZOCXBDSA-N	318.377	1.055	50	20	DDGD	
COCC(=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1)C1CC1	754259719	RFEYUNOMHOJAAI-RWMBFGLXSA-N	311.426	1.260	50	20	DDGD	
CN(C)c1nccc(NNC(=O)C(F)(F)c2nccs2)n1	757660417	COMLIJMIJSZRJS-UHFFFAOYSA-N	314.321	1.234	50	20	DDGD	
CSCC[C@@H](C)NC(=O)NNC(=O)c1cccc(F)n1	852123174	GBMGKNHMKWZBJO-MRVPVSSYSA-N	300.359	1.306	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@@H](c2ccccn2)C2CC2)cn1	928610332	IAYOBSGQFBUBOC-FCONWMNKSA-N	307.357	1.990	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=S)NCC2CCC2)n(C)c1	855093368	OJUBZERYINTSAE-UHFFFAOYSA-N	308.407	1.137	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NC[C@@]2(C)C[C@H]2Br)C1	857392526	DUFGUUXBRRUFGF-OPQQBVKSSA-N	317.227	1.535	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)c1c[nH]c2ccccc12)C1CC1	858159028	WEKKUGMHQGQFLH-CQSZACIVSA-N	301.346	1.744	50	20	DDGD	
O=C(C[C@@H]1CC(=O)NC1=O)NNc1ccc(Cl)cc1Cl	935016395	GFSXLMCQEMAJNK-LURJTMIESA-N	316.144	1.489	50	20	DDGD	
CCn1ccnc1C=NNC(=O)[C@@H](C)Oc1ccc(F)cc1	755561819	AGBQYOBYCCLAIH-LLVKDONJSA-N	304.325	1.960	50	20	DDGD	
COC(=O)[C@@H](C)Oc1ccc(C=NNC(=O)c2ccc[nH]2)cc1	758374676	UQDRTHCFFJASNY-LLVKDONJSA-N	315.329	1.719	50	20	DDGD	
CCNC(=O)C(C)(C)CNC(=O)NNc1ccc(Cl)cn1	852221230	SKWPLYIZUGLJNB-UHFFFAOYSA-N	313.789	1.523	50	20	DDGD	
CCN(CC)C[C@@H](C)NC(=O)NNC(=O)CCc1ccccc1	750328859	VWQHYRWOKRYULS-CQSZACIVSA-N	320.437	1.680	50	20	DDGD	
C[C@H](Cn1cccn1)NC(=O)NC[C@]1(C)C[C@H]1Br	856824813	PAJKSQZRRYFFNR-FOGDFJRCSA-N	315.215	1.744	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccc[nH]1)N(C)C(=O)OC(C)(C)C	854277730	IWPSKOGLPBUQKD-NSHDSACASA-N	324.381	1.421	50	20	DDGD	
O=C(Cc1ccncc1)NN=Cc1nn[nH]c1-c1ccccc1	755756219	TUYLQDJNKJZMJC-UHFFFAOYSA-N	306.329	1.560	50	20	DDGD	
CC1(c2ncc(C(=O)NNc3cccc(F)n3)s2)OCCO1	861686563	OWMQWEANCXWQAT-UHFFFAOYSA-N	324.337	1.654	50	20	DDGD	
CC(=O)N1CCC(=NNC(=O)c2cn[nH]c2)c2ccccc2C1	863154691	JELXEEMRCMYQLG-UHFFFAOYSA-N	311.345	1.296	50	20	DDGD	
CC1(C)CCc2sc(NC(=O)NNC(=O)c3cn[nH]c3)nc21	861181542	BFDWQOHPIPPYEJ-UHFFFAOYSA-N	320.378	1.557	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc2cc(O)ccc12	869068168	NKAUWAKPUVHQKI-MFKMUULPSA-N	314.341	1.731	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H]2CCc3cncn3C2)c1	862479588	UELAGFXMXONLPS-SNVBAGLBSA-N	304.375	1.277	50	20	DDGD	
COc1nccc(C(=O)NNC(=O)CCCc2ccccc2)n1	931781962	FJWYJGWJRYQZRA-UHFFFAOYSA-N	314.345	1.269	50	20	DDGD	
COc1ccnc(NNC(=O)c2cnc([C@H]3CCCO3)s2)n1	760334700	HOHSBLQTMAXIRZ-MRVPVSSYSA-N	321.362	1.550	50	20	DDGD	
C[C@@H]1[C@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)CCS1(=O)=O	862991531	UWVOBPBMTMAPFF-NGJQAGNDSA-N	322.361	1.424	50	20	DDGD	
CCn1cc(C(=O)NN=c2cc[nH]c(C)c2)c(C(F)(F)F)n1	862513295	DLGGTMVKXWXABF-UHFFFAOYSA-N	313.283	1.804	50	20	DDGD	
CCn1cnnc1-c1cccc(NCc2ccc(B(O)O)cc2)c1	864025185	FTMPZRVGFRJWPN-UHFFFAOYSA-N	322.177	1.257	50	20	DDGD	
Cc1nnc(NNC(=O)C(C)(C)c2cccc(F)c2)nc1O	768927035	BNSSHXOXCVATPT-UHFFFAOYSA-N	305.313	1.446	50	20	DDGD	
C[C@H](c1ccccc1F)[C@H](O)C(=O)NN[C@H](C)C(F)(F)F	869376790	KPOUJAIYPWJFKD-XLDPMVHQSA-N	308.275	1.862	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccnn1CC1CCC1	867754258	IPEOTEFKWZIIOY-UHFFFAOYSA-N	311.349	1.483	50	20	DDGD	
Cc1noc(C(C)(C)NS(=O)(=O)CC(C)(C)CCl)n1	867243477	VVRFVIFJBVYGBW-UHFFFAOYSA-N	309.819	1.798	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2CCCC2)cc1F	764070408	KEOYRMGXLKKYDD-UHFFFAOYSA-N	307.325	1.410	50	20	DDGD	
COCCC(=O)COC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	761941663	LWWODMOPZPYLRN-AWNIVKPZSA-N	315.329	1.261	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1sccc1O	769780460	AFGBFNQWNPCNST-SNVBAGLBSA-N	311.407	1.262	50	20	DDGD	
CCc1c(NCc2ccccc2B(O)O)cnn1CC(C)C	877121952	CHYAFUUBSPABJV-UHFFFAOYSA-N	301.199	1.393	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)N[C@@H]1CC12CCC2	876428101	TVTOFPXCDOXXOC-CQSZACIVSA-N	317.389	1.901	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@](C)(CO)Cc1ccccc1OC	870937734	RVKCBGUYXPPNPA-IFCKCIONSA-N	318.373	1.549	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc(OC(F)F)cc1	779823174	LKHIWGSKINLBAN-UHFFFAOYSA-N	301.249	1.094	50	20	DDGD	
COCCOCC(=O)NN=Cc1cc(F)cc2cccnc12	872402075	TYBWUGWHSBKRJD-UHFFFAOYSA-N	305.309	1.487	50	20	DDGD	
Cc1cccc2nc(C(=O)NNC(=O)OCC(F)(F)F)cn12	1118790950	RIMYURIQKYVUSD-UHFFFAOYSA-N	316.239	1.576	50	20	DDGD	
CC[C@@H](Cc1cccc(C)c1)C(=O)NNC(=O)NCCCOC	874194412	MUTVRGBSBKOOCC-HNNXBMFYSA-N	321.421	1.931	50	20	DDGD	
COCc1ccc(S(=O)(=O)NNC(=O)CC(C)(C)C)cc1	774618741	NFEKKJIBVLYXQA-UHFFFAOYSA-N	314.407	1.579	50	20	DDGD	
C[C@]1(C(=O)NNc2nncc(N)c2Cl)C[C@H]1Br	1119626824	HUVHNUPQBVFHQY-ANLVUFKYSA-N	320.578	1.329	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H](C)CCc2cccn2C)cc[nH]1	875315739	YDDRGDPHJGLMOL-LBPRGKRZSA-N	301.394	1.798	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1coc(S(N)(=O)=O)c1	771712937	AJRBGSHLCYOXAL-UHFFFAOYSA-N	313.310	1.131	50	20	DDGD	
C[C@H](CNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)C(=O)O	776637169	ATIQWQALOSVMKK-JDVQERKKSA-N	304.184	1.777	50	20	DDGD	
C[C@H](C1CC1)n1cc(NC(=O)C(=O)NNc2ccccn2)cn1	778696832	CSCBGVSTLCDWHU-SNVBAGLBSA-N	314.349	1.331	50	20	DDGD	
COc1cccc(C)c1NC(=O)NNC(=O)c1ccccn1	772489080	QNYXHGJFCSGTSS-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
CCN(C)[C@H](C(=O)NNC(=O)C1CCOCC1)c1ccccc1	883062533	HKSJQHNUUDYIBG-HNNXBMFYSA-N	319.405	1.253	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccccc1-c1nnc(C)o1	887145486	GDPQSQASNOSTMI-UHFFFAOYSA-N	312.329	1.610	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2c(Cl)cccc21)C1CCOCC1	883067333	DIDLRGRRILNGGD-CYBMUJFWSA-N	322.792	1.944	50	20	DDGD	
O=C(NC[C@@H]1COC2(CCCCC2)O1)NNc1ccc(F)cn1	775760596	INJTWRFDFBTMPR-GFCCVEGCSA-N	324.356	1.923	50	20	DDGD	
COC[C@H](O)Cc1cn(/C(Cl)=C\CBr)nn1	881310772	OOFWFYZVJHJTME-HFMOYCKXSA-N	310.579	1.260	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)c1cccc(C)c1	772143673	RDJLAROJAANSLH-NWDGAFQWSA-N	306.362	1.588	50	20	DDGD	
N#Cc1ccc(NNC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)nc1	888815457	ONWKIHMEEVJYBQ-OLZOCXBDSA-N	301.350	1.537	50	20	DDGD	
CC(C)Oc1ncccc1NC(=O)C(=O)NNc1ccccn1	784798136	PJMJDLIWHXNTNA-UHFFFAOYSA-N	315.333	1.346	50	20	DDGD	
N#Cc1ccc(OS(=O)(=O)CBr)c([N+](=O)[O-])c1	782425123	NEQSZDABSCMNHF-UHFFFAOYSA-N	321.108	1.527	50	20	DDGD	
COC(=O)COc1ccc(C=NNC(=O)CC(F)(F)F)cc1	782224143	DBRODRKLHHUBLS-UHFFFAOYSA-N	318.251	1.641	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](C(=O)NNC(=S)NCC2CCC2)C1(C)C	781028654	HARBJIDWASAZAA-NWDGAFQWSA-N	311.451	1.533	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccn(CC(F)(F)F)n1	1120480189	NIELFMSRSRCGJD-UHFFFAOYSA-N	308.260	1.615	50	20	DDGD	
Cc1cc(NNC(=O)C[C@@H]2CC(=O)Nc3ccccc32)ncn1	894966645	SLLNHLQDBXOKKT-NSHDSACASA-N	311.345	1.744	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2nc3cccnc3s2)n1	788270176	GAYXYUXXRFJSPR-UHFFFAOYSA-N	300.347	1.855	50	20	DDGD	
Cc1ccc(C(F)(F)C(=O)NNC(=O)c2c[nH]nc2C)cc1	780487338	IWJOFAHYKVWBSR-UHFFFAOYSA-N	308.288	1.580	50	20	DDGD	
COc1ccc(COCC(=O)NNc2ncncc2Cl)cc1	781825924	QRUYNBHUFHKUCF-UHFFFAOYSA-N	322.752	1.799	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCC(=O)NC1CCCC1	787269860	ZBUKWAWTVARCHR-LCYFTJDESA-N	313.357	1.474	50	20	DDGD	
CC(C)C[C@@H]1C[C@H](NS(=O)(=O)CBr)CCO1	782476485	AFFIXHKLQRETFT-NXEZZACHSA-N	314.245	1.852	50	20	DDGD	
O=C(NNC(=O)C1CCC1)NC1CCN(c2nccs2)CC1	798508611	JNPKECPAUSKYLX-UHFFFAOYSA-N	323.422	1.242	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)Cc2ccncc2)cc1C=O	793602772	WXEHMSBPKOOLBM-UHFFFAOYSA-N	311.341	1.515	50	20	DDGD	
Cn1nccc1COCC(=O)NNc1cccc(F)c1[N+](=O)[O-]	791078298	RCHVAFDIBNSGKE-UHFFFAOYSA-N	323.284	1.127	50	20	DDGD	
CC(C)Cc1ccccc1C(=O)NNC(=O)N1CCOCC1	790533950	IDPRANXEAFVJJJ-UHFFFAOYSA-N	305.378	1.572	50	20	DDGD	
Cn1c(=NNC(=O)c2cccc(CO)c2)sc2ccccc21	798278758	JYYSPDLUIIAMCD-UHFFFAOYSA-N	313.382	1.978	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COc2ccc(C=O)cc2)n1	794072878	RRKVNLGCJJKJSK-UHFFFAOYSA-N	313.313	1.043	50	20	DDGD	
C=CCNC(=S)NNC(=O)C(F)(F)c1ccc(OC)cc1	798305627	YFZCXHHJRNVYNA-UHFFFAOYSA-N	315.345	1.468	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C[C@H](CC#N)c1ccccc1	792853690	SSKVRWFJVDZECT-AWEZNQCLSA-N	310.357	1.874	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CCCC2CCOCC2)c1	798429522	YOZRLDCEGKBBMN-UHFFFAOYSA-N	315.373	1.916	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(Cl)n2)o1	793026088	PMRVFBRNBXDIJI-UHFFFAOYSA-N	322.708	1.036	50	20	DDGD	
CCCOc1cccc(CC(=O)NNC(=S)NC(C)C)c1	1319881229	WOWVDKACQMLZEL-UHFFFAOYSA-N	309.435	1.922	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)CCN1CCC(C)CC1	1319843201	ZBRSAFZTUZBSHJ-UHFFFAOYSA-N	305.426	1.555	50	20	DDGD	
Cn1c(=O)cc(C(=O)NNC(=O)C2CCCC2)c2ccccc21	1317904022	VVQMTQZBJZVEJA-UHFFFAOYSA-N	313.357	1.490	50	20	DDGD	
O=C(CNC(=O)c1cc(Cl)ccn1)NNc1ccc(F)cc1	1318296588	GFQXOAMODJSZFV-UHFFFAOYSA-N	322.727	1.747	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1ccc(N2CCCC2)cc1	1317827345	MOJGTDLVWAFMJV-UHFFFAOYSA-N	314.389	1.359	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1ocnc1C1CC1	1323765462	YMCKFFMRVAFQLS-UHFFFAOYSA-N	312.289	1.754	50	20	DDGD	
CC(=NNC(=O)c1n[nH]c2c1CCCC2)c1cc(C)n(C)n1	1321684547	GRKKIUCCBRWFHY-UHFFFAOYSA-N	300.366	1.484	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1ccc(-c2cnn(C)c2)cc1	1326879446	KNFHSGKYULJMAF-OVCLIPMQSA-N	316.386	1.843	50	20	DDGD	
Cc1nn(C)cc1CCC(=O)NNc1nccnc1C1CCC1	1258280076	DRUQMWWHDNVKRZ-UHFFFAOYSA-N	314.393	1.862	50	20	DDGD	
CCCn1nccc1C(=O)NNc1ccc(CC(=O)OC)cc1	1331035900	XURPMMWZZRKHOF-UHFFFAOYSA-N	316.361	1.766	50	20	DDGD	
CN(C)CCOc1ccc(C=NNC(=O)C2CCOCC2)cc1	1330903401	LWOOWEUBQDESNL-UHFFFAOYSA-N	319.405	1.504	50	20	DDGD	
Cc1nc(NS(=O)(=O)c2ccc(CCCl)cc2)no1	778084313	DLRJYSRIMLMOKM-UHFFFAOYSA-N	301.755	1.960	50	20	DDGD	
O=C(CN1CCC(F)(F)CC1)NNC(=O)c1cccs1	796549042	GBBDCJFNYIWUKV-UHFFFAOYSA-N	303.334	1.240	50	20	DDGD	
O=C(O)C1CN(C(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)C1	1347599681	VCBICICHILFMEF-QOSJWCAFSA-N	302.168	1.483	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2cnc(N(C)C)n2C)cc1O	1262036908	DKNMELJDSOGXPN-UHFFFAOYSA-N	301.350	1.264	50	20	DDGD	
C[C@@H](CN1CCOCC1)N(C)C(=O)C1CCC(Cl)CC1	1348566914	FXDDESQIWSJUOS-HSBZDZAISA-N	302.846	1.963	50	20	DDGD	
O=C(C[C@@H]1CC[C@H]2C[C@@H]12)NNC(=O)c1n[nH]c2c1CCCC2	1261254545	RLFWJKCZUCNJSZ-JBLDHEPKSA-N	302.378	1.486	50	20	DDGD	
CCN(CC)CC[C@H](C)NC(=O)NNC(=O)c1ccccc1O	1347557759	QSRKUQLEIGXUTH-LBPRGKRZSA-N	322.409	1.457	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H]2CCOC2)c1C	1350474940	WFFCVRAUYAMYJZ-NSHDSACASA-N	307.350	1.444	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)C(=O)c1ccc(F)cc1	1601559062	LDMCOJWHYCHYME-UHFFFAOYSA-N	302.261	1.850	50	20	DDGD	
C[C@@]1(C(=O)Nc2ccn(CC(=O)O)n2)C[C@@H]1Br	1604490128	NUEJFNPWKITCGD-QUBYGPBYSA-N	302.128	1.080	50	20	DDGD	
C[C@H](CBr)COC(=O)CCc1ocnc1C(=O)O	1609725370	AGEJVHKAXLBEFR-SSDOTTSWSA-N	320.139	1.880	50	20	DDGD	
COC(=O)N1CCC(C(=O)NNc2ccccc2C(=O)O)CC1	1606490744	VMBUGDSXJAAQQK-UHFFFAOYSA-N	321.333	1.306	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1ccc(C(=O)O)c(Cl)c1	1608331735	WCOSTJKHWJQAJA-UHFFFAOYSA-N	323.736	1.111	50	20	DDGD	
N#CC1(CC(=O)NNc2ccc(C(=O)O)cc2F)CCOCC1	1601054551	JKLVXLXENRHZMM-UHFFFAOYSA-N	321.308	1.677	50	20	DDGD	
O=C(O)c1coc(C=NNC(=O)[C@@H]2Cc3ccccc3O2)c1	1602553268	DRNMCHDWYLEUDZ-ZDUSSCGKSA-N	300.270	1.432	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccc(CC(=O)O)cc2)c1C(F)F	1601020820	CKRIKGGTMJHQTA-UHFFFAOYSA-N	324.287	1.742	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccc(-n3ccnc3)nc2)nc1	1610835715	GOZAXDPIDRRFTR-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)cc1C	1549318612	PXGHYXXBPXAAQJ-JKSUJKDBSA-N	301.390	1.617	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2cccc(C(=O)O)c2)C1	1610161639	OFOOLTQVOJKSDD-ZYHUDNBSSA-N	320.345	1.807	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCO[C@@H]1c1nccn1C)c1cc[nH]n1	1549317786	WUJATYVBWRHHCL-AAEUAGOBSA-N	316.365	1.151	50	20	DDGD	
Cc1coc(C=NNC(=O)[C@@H]2CCCO[C@@H]2c2nccn2C)c1	1550194067	QWSUMFYOWIWPPO-KGLIPLIRSA-N	316.361	1.940	50	20	DDGD	
CNNC(=O)c1cc(Br)nn1-c1ccc(C)cc1	1578744678	KTSGTQDNTIRIPC-UHFFFAOYSA-N	309.167	1.807	50	20	DDGD	
CC[C@H](C)C[C@@H](N)C(=O)NNC(=O)Cc1ccc(Cl)cc1	1576982899	MSIGMIJQTOCREF-GXFFZTMASA-N	311.813	1.793	50	20	DDGD	
COc1cc(Cl)cc(C(=O)NNC(=O)[C@@H]2CCCNC2)c1	1579155176	HIGXAHLGDGXPHP-SECBINFHSA-N	311.769	1.109	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@@H](N)CCC(C)C)cc1	1579735030	COUTWGRILYDHBO-AWEZNQCLSA-N	323.462	1.998	50	20	DDGD	
NCCCSCCC(=O)NNc1nc(-c2ccccc2)no1	1580300896	CUPFXSLSWOIMLT-UHFFFAOYSA-N	321.406	1.652	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1[nH]c(CC)c(C(=O)O)c1C	1588439603	CGYLKMXLNBAUJH-UHFFFAOYSA-N	305.334	1.148	50	20	DDGD	
O=C(NNc1nc2cccnc2s1)[C@@H]1CC[C@H](C2CC2)N1	1580742934	KKNUKNOIBVJIQM-ZJUUUORDSA-N	303.391	1.665	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2ccccn2)C1	1842387188	LDKILCMJQSGPDD-LBPRGKRZSA-N	321.808	1.916	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)C1(C#N)CCC1)C2	1845168680	SIWBWOOMDXWVDX-GFCCVEGCSA-N	323.824	1.901	50	20	DDGD	
CC(C)/C=C/C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1846756866	ZHIRSCREERKQTQ-ZYOFXKKJSA-N	302.777	1.936	50	20	DDGD	
O=C(O)COCC(=O)NNc1ccc(OCC(F)(F)F)cc1	1595107384	VMGCREALRHLORA-UHFFFAOYSA-N	322.239	1.172	50	20	DDGD	
CCCc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)cc1	1590658663	KQRAMEOFUUVHJA-UHFFFAOYSA-N	323.360	1.971	50	20	DDGD	
CC[C@](C)(CNC(=O)NNc1cccc(-c2nn[nH]n2)c1)OC	1590383108	ZNCYNSBVUXDLNK-CQSZACIVSA-N	319.369	1.308	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NN=c2cc[nH]cc2Cl)c1	1594288464	RAFKCBASDJUTLV-UHFFFAOYSA-N	305.721	1.920	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)Nc1cccc(C(=O)O)c1	1594782940	OPKKXTYYYVYAHT-GRYCIOLGSA-N	319.317	1.105	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2cccc(C(=O)O)c2C)CCC1	1596543671	VQMXWSPJKJADRS-UHFFFAOYSA-N	320.345	1.870	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1cnc2ccc(C(=O)O)cn12	1776946216	WNHQGSLOXAAPLD-WZUFQYTHSA-N	305.315	1.332	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2ccc(CCC(=O)O)o2)n[nH]1	1776028529	GULYDGAANASQLH-UHFFFAOYSA-N	304.306	1.021	50	20	DDGD	
O=C(NN=Cc1sc(Cl)cc1C(=O)O)c1ccnnc1	1776081573	VDKMXCRCDSJORL-UHFFFAOYSA-N	310.722	1.654	50	20	DDGD	
N#C/C(=C/c1cnnn1C1CC1)C(=O)Nc1ccc(C(=O)O)cc1	1776130719	VGPHWWRCVLEFNV-XFFZJAGNSA-N	323.312	1.857	50	20	DDGD	
Nc1ccc2c(n1)CCCC2=NNC(=O)c1cccc(C(=O)O)c1	1776095832	WZZAHFLSYRYBFV-UHFFFAOYSA-N	324.340	1.832	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=C(C)c1ccc(C(=O)O)cc1C	1776101986	DITABOSVEWBUFQ-UONOGXRCSA-N	304.346	1.958	50	20	DDGD	
CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl	1793110870	ZUOQFWRYXSYVID-WRWGMCAJSA-N	302.802	1.024	50	20	DDGD	
COc1cccc(C(=O)NNC(=S)NC(C)(C)C)c1OC	14894708	FXHNGHVOSLKTTJ-UHFFFAOYSA-N	311.407	1.611	50	20	DDGD	
O=C(CN1CCCCCC1)NNC(=O)c1cccc([N+](=O)[O-])c1	16442697	YQNHCZBPQDBLQB-UHFFFAOYSA-N	320.349	1.232	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2cc(C)no2)c1	17059940	VVNKNZGFCGDYPL-UHFFFAOYSA-N	305.290	1.075	50	20	DDGD	
N#Cc1cccc(NNC(=O)COc2ccc(C(N)=O)cc2)c1	152436125	XLUUJWINZJFIRC-UHFFFAOYSA-N	310.313	1.179	50	20	DDGD	
Cn1c(=O)[nH]c2cc(C(=O)NNc3ccccc3F)ccc21	153071723	YHFOGBAORQZEKH-UHFFFAOYSA-N	300.293	1.763	50	20	DDGD	
CNC(=O)NCC(=O)NNc1cc(C(F)(F)F)ccc1F	156583389	POZAKXXSYQZVMH-UHFFFAOYSA-N	308.235	1.217	50	20	DDGD	
COC(=O)CCCNC(=O)c1c(C)nn(CCCl)c1C	154649729	PIJNOFZEKOTZDY-UHFFFAOYSA-N	301.774	1.422	50	20	DDGD	
C[C@@H]1CC(=O)NCCN1S(=O)(=O)c1ccc(CCl)cc1	707192200	CEDGHGRJNCUVFH-SNVBAGLBSA-N	316.810	1.325	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H]2CCOc3ccccc32)nn1	108888337	MMVADSDGROXXIR-GFCCVEGCSA-N	313.361	1.977	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1cccc(F)c1	106288263	XGYNQIWDWXUGSE-UHFFFAOYSA-N	302.305	1.925	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)COc1ccc(F)cc1)C1CC1	171168542	UIJZLRVWDLYQPM-SECBINFHSA-N	311.382	1.498	50	20	DDGD	
N#CC1(C(=O)NNC(=O)CCc2ccccc2O)CCCCC1	106285831	DXVWDFXPKZXJPE-UHFFFAOYSA-N	315.373	1.946	50	20	DDGD	
CN(C)CC(=O)NNC(=O)NCc1cccc(C(F)(F)F)c1	171400636	TUJLIGRLJZNSMZ-UHFFFAOYSA-N	318.299	1.097	50	20	DDGD	
C[C@H](OCC1CC1)C(=O)NNC(=O)c1cccc2ncccc12	106813794	OKZMXDYODQQFEW-NSHDSACASA-N	313.357	1.811	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(C(N)=O)cn2)nn1	118523916	UUGDZQPXJUWXPV-UHFFFAOYSA-N	314.349	1.025	50	20	DDGD	
O=C(CSc1ncccn1)NNC(=O)c1ccc(F)cc1	10861091	MCEQFNQRBTZFTO-UHFFFAOYSA-N	306.322	1.169	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccc(Cl)cc1F	175829154	JXFIHYXBTLKZGG-MWLCHTKSSA-N	300.717	1.665	50	20	DDGD	
CCCNC(=O)NNC(=O)CCc1nc(-c2ccoc2)no1	119897325	CSCUAINWWJTYIK-UHFFFAOYSA-N	307.310	1.003	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)c2cccn2C)c1	172971647	XWSSHIWVOSQYBG-UHFFFAOYSA-N	302.290	1.317	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)NCc2ccccc2)cc1	25108309	XAJWELTXGVXERR-UHFFFAOYSA-N	324.340	1.468	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NCCCn2cccn2)nn1	118471106	KFSUCKCXUDQLQN-UHFFFAOYSA-N	317.397	1.687	50	20	DDGD	
O=C(CN(Cc1ccccn1)C1CC1)NNC(=O)c1ccccc1	181338771	DPMYPLVRZBWSBJ-UHFFFAOYSA-N	324.384	1.507	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccn(-c2cc(C)ccc2OC)n1	65597672	QGBZCRAJEBZTMU-UHFFFAOYSA-N	317.349	1.153	50	20	DDGD	
Cc1csc(NC(=O)NNC(=O)c2cccc(N(C)C)c2)n1	125669036	RSGLXNXQIBQBIF-UHFFFAOYSA-N	319.390	1.984	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc([N+](=O)[O-])c2cccnc12	123709221	DLJCISIZLJBVLS-UHFFFAOYSA-N	316.317	1.950	50	20	DDGD	
CCc1ccc([C@H](C)CC(=O)NNC(=O)Cc2cc[nH]n2)cc1	186155765	KECHEEHPDUGOKG-GFCCVEGCSA-N	314.389	1.856	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(F)ccc1Br	39519284	YRJURVQMJIZJGQ-UHFFFAOYSA-N	305.103	1.979	50	20	DDGD	
CN1CC[C@H](NC(=O)NNc2c(F)cccc2Cl)C1=O	185431878	LJZBGCCJYZXAJA-VIFPVBQESA-N	300.721	1.336	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCCCOCCO)cc1	183220037	BUOHGJCKUPHHKW-NTCAYCPXSA-N	318.373	1.507	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1cc(F)cc(F)c1	124484675	FEZYMYWAWSZTNP-UHFFFAOYSA-N	320.295	1.943	50	20	DDGD	
CS(=O)(=O)c1ccc(C(=O)NNC(=O)CC2CCCC2)cc1	78721290	DEYROPSCPASPRG-UHFFFAOYSA-N	324.402	1.431	50	20	DDGD	
Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)NN(C)C(N)=O	181057114	DWCRJUWJYCPMNT-AATRIKPKSA-N	313.789	1.556	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(C(=O)N(C)C)cc1	183022565	DPHZUDYSQDDRRV-JTQLQIEISA-N	306.366	1.587	50	20	DDGD	
CCCc1noc(CCCC(=O)NNC(=O)c2ccccc2)n1	48190078	LPGJTXZJBFPOJC-UHFFFAOYSA-N	316.361	1.806	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F	181957967	STMKHJKKFNVWCU-UHFFFAOYSA-N	304.272	1.944	50	20	DDGD	
O=C(NCCCOCC(F)(F)F)NNC(=O)c1ccccc1	79286985	BZJITXIHPUDJBV-UHFFFAOYSA-N	319.283	1.600	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccccc1CCC(F)(F)F	186542826	JVWBDBREAARIEY-UHFFFAOYSA-N	305.256	1.327	50	20	DDGD	
O=C(NNc1nc2ccccc2c(=O)[nH]1)c1ccc2[nH]cnc2c1	137206141	IQMGZRGOWZEFGM-UHFFFAOYSA-N	320.312	1.556	50	20	DDGD	
CC(C)CC(=O)NCCC(=O)NNc1ncnc2ccsc12	132461744	WRXAEVMPCSPYIV-UHFFFAOYSA-N	321.406	1.687	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)OCC)[nH]c(C)c1C(=O)OC	48317947	MBQOIZVLLZBIOO-UHFFFAOYSA-N	311.338	1.453	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNc1nccnc1Cl	132955107	MIAMDBPDIUZXEV-UHFFFAOYSA-N	309.757	1.929	50	20	DDGD	
CC(C)(C)c1nc(C(=O)NNC(=O)Cc2ccncc2)cs1	81017162	MGLNTVKJNGJMMY-UHFFFAOYSA-N	318.402	1.839	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@H]1C[C@H]1c1cccc(Cl)c1	194896055	NDGYBDPEYADKES-STQMWFEESA-N	323.780	1.517	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)C(=O)Nc2ncc(C)s2)c1	190468242	YGWZPOZHQSOLKR-UHFFFAOYSA-N	308.338	1.981	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)NCC1(C2CC2)CC1	269782857	AUIZUVCBWYGHMV-UHFFFAOYSA-N	319.361	1.292	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1nc(-c2ccccc2)no1	264486693	OVARCIXHXSASBJ-UHFFFAOYSA-N	319.321	1.316	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCN(CC)C(=O)OC(C)(C)C	269476142	NEKHJVXXJBPLJN-VAWYXSNFSA-N	311.382	1.804	50	20	DDGD	
N#CC1(C(=O)NNC(=O)NCc2ccc(Cl)cc2)CCC1	276226559	RHGYPWTZSHOVLU-UHFFFAOYSA-N	306.753	1.864	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@@]1(O)CCO[C@@H]1C	279486865	MYNLYPLAWSEOSH-RISCZKNCSA-N	315.801	1.008	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCO1	271809372	BHDVKNIKJMTXSI-GXSJLCMTSA-N	307.306	1.171	50	20	DDGD	
CCCCN1C(=O)C[C@H](C(=O)NN)[C@@H]1c1ccc(OC)cc1	368432860	GHTZTHDIDFBZDO-ZFWWWQNUSA-N	305.378	1.375	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNC(=O)CC(C)C)cnc1Cl	274132010	INTGWSNRNLYWCN-UHFFFAOYSA-N	312.757	1.175	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CCO[C@@H](C)C2)c1	272693809	WOOPEEDRGVJETG-JQWIXIFHSA-N	307.350	1.667	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ccc2c(c1)OC(F)(F)O2	272862989	SLXLUIFFBZUYKZ-UHFFFAOYSA-N	313.260	1.961	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(OCC)c(OCC)c1	271244857	BVRMCIURIXCQLU-UHFFFAOYSA-N	309.366	1.790	50	20	DDGD	
CCOc1ccc(/C=C/C(=O)NN(C)C(N)=O)cc1OCC	271369889	QSHIQLSJBSFSHV-VQHVLOKHSA-N	307.350	1.539	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NNc2cnc3ccccc3n2)C1	277958323	MHQKTDDXMAQWOS-LLVKDONJSA-N	313.361	1.331	50	20	DDGD	
COc1nccnc1NNC(=O)Cc1sc(S)nc1C	274085963	MGYLKBARVPJJLY-UHFFFAOYSA-N	311.392	1.225	50	20	DDGD	
Cc1cccc(C(=O)N[C@@H](C)C(=O)NNC(=O)CC(C)C)c1	279038445	WZDKXLJXUCNQQB-LBPRGKRZSA-N	305.378	1.307	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)NCC=C(C)C	276627835	PKYOBLKEFIRDSX-UHFFFAOYSA-N	307.350	1.371	50	20	DDGD	
CC1(C)OCC(C)(C(=O)NNc2ccc(Cl)nn2)CO1	272128387	RQKLSRSYYKJWMH-UHFFFAOYSA-N	300.746	1.362	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CNC(=O)CC(C)(C)C	288610616	IRTQQXPNBFCPIG-UHFFFAOYSA-N	322.365	1.899	50	20	DDGD	
COc1cccc(NNC(=O)[C@H]2CCN(CC(F)(F)F)C2)n1	280408109	WGRKRFTWGWLKFU-VIFPVBQESA-N	318.299	1.418	50	20	DDGD	
COCCN(C)NC(=O)c1ccccc1S(=O)(=O)C(C)C	288149475	BXLGFSKGZZEJAB-UHFFFAOYSA-N	314.407	1.092	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(CNC(=O)C=C(C)C)cc1	286404903	PLEJSANBGBIPSE-UHFFFAOYSA-N	319.361	1.612	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)c(C)c1	282213414	RUUNGSVDPWKINJ-WOSRLPQWSA-N	319.405	1.676	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N2C[C@@H](C)O[C@H](C3CC3)C2)s1	280106199	BSJFJWMHTRAJSH-SKDRFNHKSA-N	323.418	1.910	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Nc1ccccc1)N1CCSCC1	282714137	GWZXDYXEGKWIQD-LLVKDONJSA-N	308.407	1.277	50	20	DDGD	
C[C@H]1Oc2ccccc2N(CC(=O)NCC(Cl)Cl)C1=O	288818947	HIZCYWRLMIHNQN-MRVPVSSYSA-N	317.172	1.720	50	20	DDGD	
CC(C)(C)[S@@](=O)CCNC(=O)NNc1cccc(F)n1	286770612	QKGFRVGOWVLZJA-FQEVSTJZSA-N	302.375	1.394	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cncn2-c2ccccc2)O1	293154774	RWCIDOUAGHPVEP-FZMZJTMJSA-N	314.345	1.201	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC2CCN(C3CCC3)CC2)n1	297139487	SINYLMAGCUIXAF-UHFFFAOYSA-N	318.425	1.736	50	20	DDGD	
Cc1ccc(C(=O)C(=O)NNC(=O)NC2CCCCC2)cc1	298141090	LXPQPOWULBYVJU-UHFFFAOYSA-N	303.362	1.841	50	20	DDGD	
NC(=O)CSc1ccccc1C(=O)NNc1ncccc1F	804214166	UEJYXEDZDCKPET-UHFFFAOYSA-N	320.349	1.555	50	20	DDGD	
C#Cc1cncc(C(=O)NNC(=O)c2ccc(Cl)cc2F)c1	806994660	KBOXKCXWXHTSQO-UHFFFAOYSA-N	317.707	1.930	50	20	DDGD	
Cc1ccc(OCCCC(=O)NNC(=O)[C@@H]2CCCO2)cc1C	292086645	GHZSPSBGQBMNRQ-HNNXBMFYSA-N	320.389	1.789	50	20	DDGD	
CCN(C[C@H](O)C(F)(F)F)C(=O)NCCSSC	807230050	AMSYAXVEXVPDBC-ZETCQYMHSA-N	306.375	1.952	50	20	DDGD	
Cn1nnc2c(C(=O)NNc3cccc(Cl)c3)ccnc21	801114972	NJKNYGVCTHHPIS-UHFFFAOYSA-N	302.725	1.774	50	20	DDGD	
O=C(NNC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)Nc1ccc(Cl)cc1	297262624	OJNJGEVLFKJMPJ-UTUOFQBUSA-N	324.768	1.996	50	20	DDGD	
O=C(Cn1ccc2ccccc2c1=O)NNc1ncccc1F	804213082	FYIUESYOPHVVDO-UHFFFAOYSA-N	312.304	1.679	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@@H]2COc3ccccc3O2)o1	295127058	NDFUPZNCUHEBFJ-LLVKDONJSA-N	316.313	1.579	50	20	DDGD	
CCOc1ccccc1OCCCC(=O)NN(C)CCOC	293742379	XHCAQQILDIYMNG-UHFFFAOYSA-N	310.394	1.854	50	20	DDGD	
Cc1cc(-n2c(C)cc(C(=O)NNC(=O)NC3CC3)c2C)no1	299247274	PWDPTFQRUHLMCT-UHFFFAOYSA-N	317.349	1.497	50	20	DDGD	
COCC[C@H](NC(=O)NNc1ccncn1)c1ccc(C)o1	296825793	XSXDOYASURLGHU-NSHDSACASA-N	305.338	1.782	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNC(=S)NCCc1cccs1	807916442	UZVGTGHPKICTIY-UHFFFAOYSA-N	322.459	1.747	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)OCc2ccc(F)cc2)[nH]n1	294798115	BDZJIFKSLIKLLA-JTQLQIEISA-N	320.324	1.224	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cc2c(cc1F)NC(=O)CC2	294312060	XQWUXUDOFLOQIH-UHFFFAOYSA-N	305.309	1.272	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1nc(-c2ccccc2)cs1	801219617	MNWIKOBAZIJOIM-UHFFFAOYSA-N	305.359	1.342	50	20	DDGD	
C#Cc1cc(F)c(NC(=O)C(=O)NNc2ccccn2)c(F)c1	802564291	GJPJWJWKYNJPDY-UHFFFAOYSA-N	316.267	1.423	50	20	DDGD	
Cn1cc(CCCNC(=O)NNc2cccc(Cl)n2)cn1	292833510	XXXVEZYKFNVSEI-UHFFFAOYSA-N	308.773	1.727	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](CN(C)C)c1ccc(F)cc1	291773999	HOSIXVKSSZYNGW-BMOGTNHUSA-N	305.353	1.989	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@]2(O)CCSC2)cc1C	298191329	BIKMVISXNMHBMV-HNNXBMFYSA-N	324.402	1.483	50	20	DDGD	
COc1ccc(OC)c([C@@H](C)NC(=O)NNc2ccncn2)c1	296237161	PUGPNUXVQKODRL-SNVBAGLBSA-N	317.349	1.881	50	20	DDGD	
Nc1ccc(C=NNC(=O)c2nn(-c3ccccc3)cc2O)cn1	807956543	UGKUBJNEAWXYEW-UHFFFAOYSA-N	322.328	1.319	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)Cc2cn3ccccc3n2)nn1	807974854	WUNHPCDMTSBGKM-UHFFFAOYSA-N	311.349	1.200	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(OC)c(OC)c1C	804299177	FJWBOUBXBACWIZ-UHFFFAOYSA-N	309.366	1.756	50	20	DDGD	
COc1ccc(CC(=O)NNc2nccnc2C2CCC2)nc1	805473317	FZHXBBYROYCIQZ-UHFFFAOYSA-N	313.361	1.834	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2ncn(C)n2)c(Cl)c1	810628239	XKSLGIUWXJHBQI-UHFFFAOYSA-N	308.729	1.243	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C1CCC(CS(C)(=O)=O)CC1	814851969	CTVJCVVQRFBFJD-UHFFFAOYSA-N	312.395	1.039	50	20	DDGD	
O=C(O)c1ccc2c(c1)CCCC2=NNC(=O)[C@@H]1CCOC1	814915143	VIOUWYVPFRSXBZ-GFCCVEGCSA-N	302.330	1.578	50	20	DDGD	
CN(NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1)C1CC1	819647836	TVEBPJRHOANNAD-CQSZACIVSA-N	301.390	1.664	50	20	DDGD	
O=C(NNC(=O)c1c[nH]nc1-c1ccccn1)NC1CCCC1	813426701	OCWVRLAJBRGGPA-UHFFFAOYSA-N	314.349	1.358	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCCCc1nc[nH]n1	819614073	GRWJUHIHUJEQKK-VIFPVBQESA-N	303.204	1.663	50	20	DDGD	
CN1CCC[C@@]2(CCN(CCI)C2)C1	815145484	VTTMWOMGCWROMS-LLVKDONJSA-N	308.207	1.839	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1nccn1CC(F)(F)F	815001100	YZGZHKRAMICSPD-UHFFFAOYSA-N	312.255	1.418	50	20	DDGD	
COc1ccnc(NNC(=O)c2c[nH]c(C(F)(F)F)c2)n1	814296376	VHKJURFQMJWUKB-UHFFFAOYSA-N	301.228	1.589	50	20	DDGD	
N#CCCCC(=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	812534281	LTESWZPNQKZMNE-UHFFFAOYSA-N	315.308	1.671	50	20	DDGD	
Cc1c(C=NNC(=O)CN2CCCC2=O)n(C)c2ccccc12	814761212	QWQDOXAVMCJMAQ-UHFFFAOYSA-N	312.373	1.559	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCCCCC(=O)C1	811385545	MJIDWSHPMMUJCI-WDEREUQCSA-N	312.366	1.015	50	20	DDGD	
Cc1nn(C)c(N)c1C=NNC(=O)[C@@H](C)CN1CCCCCC1	814766372	IKGKRCALNHPNEB-LBPRGKRZSA-N	320.441	1.273	50	20	DDGD	
CN1C(=O)CCc2cc(C(=O)NNc3ncncc3F)ccc21	817078800	VFXWTSQMSSBHAV-UHFFFAOYSA-N	315.308	1.282	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)c1cccc2ncccc12	812501502	BHTYLJLOGCFLBY-NWDGAFQWSA-N	315.373	1.914	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Cc1ccc(-n2cnnc2)cc1	819115430	KGSPVODZUSZMNO-UHFFFAOYSA-N	301.350	1.003	50	20	DDGD	
N#Cc1ccc(NCC(=O)NNC(=O)NCc2ccco2)cc1	726939690	NCIMMKAMOUWAKY-UHFFFAOYSA-N	313.317	1.094	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@@H](C)OCC2CC2)c1	728206288	GLOYTZDYGHVVPF-LLVKDONJSA-N	321.377	1.070	50	20	DDGD	
Cc1cc(C(=O)NN(C)C[C@@H](C)O)cnc1Br	822557542	MCOOYMWKAKLKKI-MRVPVSSYSA-N	302.172	1.110	50	20	DDGD	
CCN(CCO)NC(=O)C[C@@](O)(c1ccc(C)o1)C(F)(F)F	823870005	VMVFEUUYENIHRB-GFCCVEGCSA-N	324.299	1.073	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](CO)CCOC)cc1	491010730	MTJZLIBUXUCGGJ-BAAYTWLHSA-N	318.373	1.506	50	20	DDGD	
O=C(/C=C\c1ccc[nH]1)NNC(=O)c1ccc2c(c1)OCCO2	491973233	OXCADYNJLMNCPP-XQRVVYSFSA-N	313.313	1.260	50	20	DDGD	
Cc1c(C(=O)NN(C)[C@H](C)CO)cnn1-c1ccccc1F	823977422	WQUDVMLKFNPELT-SNVBAGLBSA-N	306.341	1.277	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)/C=C\c2cnc(C)s2)n1	491982510	JOCLJQNJAUIHSD-SREVYHEPSA-N	302.359	1.629	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)[C@H](C)NC(=O)OC(C)(C)C	495951573	RFOPZTJXUYVWRY-VIFPVBQESA-N	309.370	1.439	50	20	DDGD	
Cc1nccnc1CCNC(=O)/C(C#N)=C/c1ccc(O)cc1	491160424	LFGRTLRXQSXWOH-GXDHUFHOSA-N	308.341	1.757	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)C1(CN(C)C)CC1	822736703	VPWVCRWJRZUEKM-UHFFFAOYSA-N	309.341	1.397	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(Cl)ccc1OC(F)F	823946602	LFFXESSWHSTWDO-ZETCQYMHSA-N	308.712	1.899	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)c1cccc(OC(F)F)c1	823087919	IELIFXYYXVZEJG-LLVKDONJSA-N	316.304	1.864	50	20	DDGD	
CCN1CCOC[C@H]1C(=O)NNc1nc2c(C)cccc2s1	828362795	QWGIGROQUIINCV-NSHDSACASA-N	320.418	1.769	50	20	DDGD	
CCC1CCC(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CC1	825963455	CSOXIVPTIMDMHI-BLYZHGLHSA-N	311.426	1.958	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cccc(N2CCOC2=O)c1	490688122	WBDDQSLBZJMCCT-UHFFFAOYSA-N	317.345	1.594	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCN(C(=O)OC(C)(C)C)C1CC1	823912966	MNZIWKSJYZUAKU-NSHDSACASA-N	315.414	1.120	50	20	DDGD	
CC(C)CCO[C@H](C)c1nc(-c2ccc(B(O)O)cc2)no1	585050773	KJJFZZLYSPANTE-LLVKDONJSA-N	304.155	1.540	50	20	DDGD	
Cc1noc([C@@H](C)NC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)n1	490638158	LSRBUHQOUZJAER-ACJFOYDFSA-N	324.344	1.681	50	20	DDGD	
CCOC(=O)Nc1ccc(C(=O)NNC(=O)C2CCC2)cc1	491330185	ZKWNZNKTNIBNPW-UHFFFAOYSA-N	305.334	1.816	50	20	DDGD	
C=CCN1CC[C@H](N(C)C(=O)[C@]2(C)C[C@@H]2Br)C1=O	907959770	LCQLNJYECMULRD-OUJBWJOFSA-N	315.211	1.405	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC[C@H]1c1ccncc1	827314478	DKRPJCGMNYQFBI-YUTCNCBUSA-N	318.377	1.384	50	20	DDGD	
CC(C)[C@H]1CC[C@H](C)CCN1C(=O)c1ccc(B(O)O)cc1	584948629	MUDQYXCWSIXIND-XJKSGUPXSA-N	303.211	1.653	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN(CC(F)(F)F)C1)C1CCC1	732141922	OXXFHFHFAXKAJV-SNVBAGLBSA-N	307.316	1.208	50	20	DDGD	
COC(=O)[C@@H]1CCCCCN1C(=O)/C(C#N)=C/c1cnn(C)c1	828890680	ANRHWSDGSDJEIF-CZAWJFPGSA-N	316.361	1.271	50	20	DDGD	
CC[C@H](C(=O)NNC(=S)NCCN(C)C)c1ccccc1	731941151	NYLTZIIGGQNBPY-ZDUSSCGKSA-N	308.451	1.237	50	20	DDGD	
COC(=O)NCCC(=O)NNC(=O)Nc1ccc(Cl)cc1	495721115	OXXXYHPAVMIIEF-UHFFFAOYSA-N	314.729	1.239	50	20	DDGD	
CCn1nncc1/C=C(\C#N)C(=O)N(CC(F)(F)F)C1CC1	491135798	UWCFNDWZQMRWRA-WEVVVXLNSA-N	313.283	1.758	50	20	DDGD	
CCc1ccccc1NC(=S)NNC(=O)C(=O)NC(C)C	730594133	ODYXDGPXRHFQSJ-UHFFFAOYSA-N	308.407	1.091	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]1C(=O)O)c1cc2ccccc2cc1O	739454537	SEOXJVCYPXXUSM-WDEREUQCSA-N	314.297	1.027	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1cnn(Cc2ccccc2)c1	735410571	LXYKVHRZXJMFRW-UHFFFAOYSA-N	308.345	1.727	50	20	DDGD	
CC(C)[C@H](NC(=O)O)C(=O)NNc1ncccc1C(F)(F)F	736376650	WOMHXSZQPGICSO-QMMMGPOBSA-N	320.271	1.836	50	20	DDGD	
O=C(C[C@@H]1CC(=O)N1)NNc1ccc(OC(F)(F)F)cc1	830792227	TXYBDFBEMFAQPT-QMMMGPOBSA-N	303.240	1.307	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc(C)nc1Cl	901965908	ZYEWHMUEEQHGHC-UHFFFAOYSA-N	315.782	1.156	50	20	DDGD	
C#CC[C@H](NC(=O)[C@@H](Br)C(C)(C)C)C(=O)OC	837945070	IAVUAKAUMGJUCH-DTWKUNHWSA-N	304.184	1.477	50	20	DDGD	
CCON1CCC(CC(=O)NNc2ncncc2Cl)CC1	832672561	VCKKRKFYIHVHGC-UHFFFAOYSA-N	313.789	1.627	50	20	DDGD	
Cn1cc([C@H]2OCCC[C@H]2C(=O)NCC(Cl)Cl)cn1	1552044851	DAZHSTACDXOZAP-MWLCHTKSSA-N	306.193	1.808	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)C(=O)NNc1c(F)cccc1F	735698064	XXEGOVNUPXTPQI-UHFFFAOYSA-N	308.288	1.641	50	20	DDGD	
CCC[C@@H](CC(C)C)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	839226290	UCJVCTHVBMHLKL-KBPBESRZSA-N	318.483	1.941	50	20	DDGD	
O=C(NCc1cccc2cc[nH]c12)NNC(=O)[C@@H]1CCCCO1	838565792	KDRZUWURAACPDK-ZDUSSCGKSA-N	316.361	1.567	50	20	DDGD	
N#CCCCOc1cccc(C=NNC(=O)NCC(=O)O)c1	833760176	JGMABAGDCVUEON-UHFFFAOYSA-N	304.306	1.087	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1cc(F)c(F)c(F)c1	730433551	PNUMPSBAQPXPMM-UHFFFAOYSA-N	301.268	1.870	50	20	DDGD	
COc1ccc(NNC(=O)c2cnc(C(=O)O)cn2)cc1Cl	833733459	QFFZTMGNJNFDGY-UHFFFAOYSA-N	322.708	1.594	50	20	DDGD	
COC(=O)c1cc(OC(=O)c2cc(C)on2)ccc1[N+](=O)[O-]	732651847	UTUYWNKZOTWYPA-UHFFFAOYSA-N	306.230	1.897	50	20	DDGD	
CCOCCC1(CNC(=O)c2cccc(B(O)O)c2)CCCC1	584962004	FSQHRYDLPQIOQF-UHFFFAOYSA-N	319.210	1.083	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(Cl)cc(C(=O)OC)c1	737012268	QESHWJFKSJPOEK-UHFFFAOYSA-N	301.686	1.519	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cc(C(F)(F)F)ccc1F	733203350	FHOPPGJLHNTFAY-UHFFFAOYSA-N	319.258	1.819	50	20	DDGD	
COc1ccc([C@@H](C)[C@H](C)NCc2ccc(B(O)O)o2)cc1	585026084	IICWUDFJTRTTHV-RYUDHWBXSA-N	303.167	1.250	50	20	DDGD	
CCn1cc(C=NNC(=O)Cc2nc3ccccc3n2C)cn1	732528295	WFLDWXHSCSTYID-UHFFFAOYSA-N	310.361	1.483	50	20	DDGD	
COc1ccc(OC)c(S(=O)(=O)NCCCSC#N)c1	916966190	ZOSHTJXUHPLKRA-UHFFFAOYSA-N	316.404	1.586	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cc(Br)c[nH]1	834964056	WTGFVKQLVNIOLO-QMMMGPOBSA-N	318.171	1.279	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNC(=O)c1cccc(N(C)C)c1	836603990	CVISXCOEIUJXDQ-KGLIPLIRSA-N	318.377	1.040	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)N(C)C)c1	746115373	SDDQOCUSLFGOBK-LFTLCWSBSA-N	302.330	1.622	50	20	DDGD	
CCN(CC(=O)NNC(=O)CC(F)(F)F)c1ccccc1	919750918	HJLBOPXWMBZBMA-UHFFFAOYSA-N	303.284	1.613	50	20	DDGD	
O=C(CCCn1cnc2ccccc21)NNC(=O)c1ccc[nH]1	916132204	XDZYYKBAEFRATO-UHFFFAOYSA-N	311.345	1.606	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCn2ccnc2C1)c1ccccc1F	749174691	DHIKZKGAQNDOHB-SNVBAGLBSA-N	302.309	1.046	50	20	DDGD	
CNc1cc(Cl)ccc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	848233835	BOQFGZOVCZKCMS-WCBMZHEXSA-N	311.769	1.568	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNC(=O)CC2CC2)ccc1Cl	847503417	MHMFLZFYEZGAMK-UHFFFAOYSA-N	309.753	1.534	50	20	DDGD	
O=CNc1ccc(C(=O)NNC(=O)Cc2ccccc2F)cc1	746237490	ARVOAEOGNYJVHA-UHFFFAOYSA-N	315.304	1.398	50	20	DDGD	
O=C(COc1ccc(F)cc1)NN=Cc1ccc(C(=O)O)[nH]1	749811360	AXQOTSZREZQFIQ-UHFFFAOYSA-N	305.265	1.381	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)[C@H]1CCCS(=O)(=O)C1	846087044	QABIFIKLMIBWOI-ZDUSSCGKSA-N	310.419	1.825	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1ccc(F)cc1F	916363574	VQHAROWPUVIINJ-NSHDSACASA-N	311.332	1.383	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCOc1cccc(F)c1	914446188	NIHIGKGKWQMGSC-UHFFFAOYSA-N	305.309	1.394	50	20	DDGD	
Cc1nonc1CNS(=O)(=O)c1ccc(CCl)cc1	914196044	FOXUULQGJYOKCA-UHFFFAOYSA-N	301.755	1.595	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc(F)cc1Cl	915178321	BGTLCQQIFQCCIA-UHFFFAOYSA-N	300.717	1.667	50	20	DDGD	
COc1ccnc(NNC(=O)NCC(C)(C)c2cccnc2)n1	840478026	OVSLMZUFRMLTLG-UHFFFAOYSA-N	316.365	1.484	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=Cc2cnon2)cc1	841612524	LDXZOQVHOZDNKM-JTQLQIEISA-N	304.306	1.386	50	20	DDGD	
C[C@H](C(=O)NN=c1sc2ccccc2n1C)c1cnn(C)c1	749887026	FODWVISOVQALCW-JTQLQIEISA-N	315.402	1.709	50	20	DDGD	
COC(=O)c1cccc(NC(=O)NNC(=O)C2CCC2)c1OC	844774944	OETBBJMWCIKUPU-UHFFFAOYSA-N	321.333	1.435	50	20	DDGD	
COc1ccc(CCC(=O)NN=Cc2cnc3cnccn23)cc1	746369319	RBUKAKIFCHNIOI-UHFFFAOYSA-N	323.356	1.821	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCCC#C[Si](C)(C)C)cn1	912326320	AUJRSONJQVCOQR-NTEUORMPSA-N	300.438	1.714	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](CO)CCF)cc1	846566328	GNDZJTPOIJEZBH-RNQWEJQRSA-N	306.337	1.829	50	20	DDGD	
CC(=NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1cccc(C(=O)O)c1	844613218	YUEAZFFRLZSEIX-MGPQQGTHSA-N	302.330	1.793	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(-c2ccccn2)nc1O	746848013	SCBHWLWTOLZHTA-UHFFFAOYSA-N	315.333	1.203	50	20	DDGD	
CNC(=O)c1c(NC(=O)[C@]2(C)C[C@H]2Br)n[nH]c1C	913175846	WROSVIKERGSJPR-KSBSHMNSSA-N	315.171	1.190	50	20	DDGD	
C[C@@H]1OC(=O)N[C@@H]1C(=O)NNc1c(Cl)cccc1Cl	841402309	BRCCUIYYJYQQLY-XNCJUZBTSA-N	304.133	1.933	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)C(C)(C)C)C(=O)OC(C)(C)C	843767262	CWFXPCAILUBHST-JTQLQIEISA-N	300.399	1.794	50	20	DDGD	
Nc1ccc(C(=O)NN=Cc2ccccc2OCC(=O)O)cc1	916264258	GVBHBYNGVZUPRB-UHFFFAOYSA-N	313.313	1.496	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)CN(C)[C@H]1CCSC1	846641525	HRCWXUPKPNKKGL-NSHDSACASA-N	313.398	1.715	50	20	DDGD	
CC(=NNC(=O)c1ccccn1)c1ccc(-n2cncn2)cc1	917208510	CZFZMTPHKJRTAA-UHFFFAOYSA-N	306.329	1.816	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cnn(-c2cccnc2)c1	748004554	IQHRXTCKXMUQIJ-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCCc2cc(C#N)ccc21	846926440	JVWYACJJOVKNQY-UHFFFAOYSA-N	300.362	1.114	50	20	DDGD	
COc1ccc([C@H](C)CC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	843654346	RCQYHNZPNRDVKG-LALPHHSUSA-N	320.389	1.761	50	20	DDGD	
CC[C@H](CC#N)NCC(=O)NNC(=O)c1ccccc1Cl	846984424	BAUWTCPZKGBKNX-SNVBAGLBSA-N	308.769	1.383	50	20	DDGD	
Cc1cc(F)cc(S(=O)(=O)NNC(=O)C2CCCC2)c1	747607887	GZIXFHNSRDIRKT-UHFFFAOYSA-N	300.355	1.634	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1ncc(C2OCCO2)s1	842558089	FSQHDGVDVXTSDI-IUCAKERBSA-N	311.363	1.064	50	20	DDGD	
CC(C)[C@@H](N)CNC(=O)NNC(=O)c1cccc2cccnc12	841943119	GIHCRZIXOLSVOW-ZDUSSCGKSA-N	315.377	1.162	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(Cl)ccc1F	843645427	RAUNVVVUNYMGHN-VXNVDRBHSA-N	300.717	1.665	50	20	DDGD	
CCCN1C(=O)C(=NNC(=O)Cc2ccncc2)c2ccccc21	747641758	IEPVRTJBWUMVIN-UHFFFAOYSA-N	322.368	1.901	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2CCO[C@@H](C(C)C)C2)n1	929309088	PSMZOGAAFDQJJW-UONOGXRCSA-N	322.409	1.099	50	20	DDGD	
CO[C@H](C)[C@@H](C)NC(=O)NNc1ncc(Br)cn1	847373281	HLUQXRHCJPXUKL-RNFRBKRXSA-N	318.175	1.289	50	20	DDGD	
O=S(=O)(CBr)N1CC[C@@H](c2ccncc2)C1	867471863	WJJUCJAPAKKOMD-SNVBAGLBSA-N	305.197	1.553	50	20	DDGD	
CCSC1(CNC(=O)NNC(=O)[C@H]2CCCCO2)CC1	852625814	LTGDKXYECMPOHQ-SNVBAGLBSA-N	301.412	1.172	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1c(F)ccc(F)c1Cl	857295674	QVYCQEIYOIYSGG-NKWVEPMBSA-N	318.707	1.804	50	20	DDGD	
CO[C@@H]1CN(S(=O)(=O)c2ccc(CCCl)cc2)CCO1	859123525	FGHSYDIPQCMZGW-ZDUSSCGKSA-N	319.810	1.461	50	20	DDGD	
C[C@@]1(CNC(=O)CCCCc2cnn[nH]2)C[C@H]1Br	857396125	YMXWPPCEEUSFMO-PWSUYJOCSA-N	315.215	1.807	50	20	DDGD	
O=C(Cn1cc(C2CC2)cn1)NNc1cnnc2ccccc12	857125113	DOUSXMSLIKELHV-UHFFFAOYSA-N	308.345	1.847	50	20	DDGD	
COCC1(S(=O)(=O)NC[C@]2(C)C[C@H]2Br)CC1	856753517	SUOYNQXJHVTASY-BDAKNGLRSA-N	312.229	1.258	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)N[C@@H]1CCOC1	752255364	JWNGZUSGJHKMHB-RRHJKOLHSA-N	307.394	1.322	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2noc3c2COCC3)c1	857872948	RXRLHOAFXDFHJS-UHFFFAOYSA-N	307.331	1.192	50	20	DDGD	
C[C@@H]1CN(C2CC2)CC1=NNC(=O)c1ccnc(N(C)C)c1	755892633	AATZPOFAHSIXSW-LLVKDONJSA-N	301.394	1.348	50	20	DDGD	
CCC(=NNC(=O)c1cnccn1)c1cc(C(=O)O)ccc1F	756882360	VWLJGMATTCRCHA-UHFFFAOYSA-N	316.292	1.858	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(CCNS(C)(=O)=O)C1	852523157	WSSYIHNXVKTDJZ-LBPRGKRZSA-N	322.547	1.632	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)C(C)(C)C)[C@]12CCCO2	759264480	GQHXNQFNQLOKOS-UEKVPHQBSA-N	313.398	1.090	50	20	DDGD	
COc1cc(F)ccc1NC(=O)NNC(=O)c1ccccn1	755668305	TYEGWMLUZLFCJX-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
COC[C@@H](OC)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	854206027	BEUHRIZCOWVEJS-CYBMUJFWSA-N	308.378	1.407	50	20	DDGD	
CCO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1cccc(F)n1	852376974	SZFQCJRHDOUYLI-MWLCHTKSSA-N	310.329	1.122	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC2(N(C)C)CC2)c1F	922988498	RXSRGXLXZRZHIC-UHFFFAOYSA-N	324.356	1.333	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](c1cccnc1)C(C)(C)CO	855107695	BSQYYPIOSSTCEK-JWAFFJSPSA-N	303.362	1.701	50	20	DDGD	
CC(CC1CC1)=NNC(=O)C1CCN(c2ncccn2)CC1	756826026	BBWFNSOMGDZFPP-UHFFFAOYSA-N	301.394	1.985	50	20	DDGD	
C#CCOc1cccc(NC(=O)NNC(=O)Cc2ccncc2)c1	756479263	KUNQOXWLNYUJBE-UHFFFAOYSA-N	324.340	1.489	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2CC3(CC3)C2)cc1C	854260381	XINQOFLJIIFBDO-UHFFFAOYSA-N	315.373	1.580	50	20	DDGD	
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NNc1ccc(Cl)cn1	852200967	QDWGKMJXIMNHIC-SKDRFNHKSA-N	309.801	1.844	50	20	DDGD	
CC1(C)C(=NNC(=O)Cc2cc(O)nc(S)n2)[C@H]2CCC[C@H]21	853284458	DHIUSOMYUKDQDE-VHSXEESVSA-N	320.418	1.942	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2cc(C(N)=O)cs2)cc1	755878954	FTNIONZAMZULDO-UHFFFAOYSA-N	316.386	1.718	50	20	DDGD	
C[C@@H](CC=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1	755620236	FGIXRVQKCSFNAN-GXTWGEPZSA-N	308.403	1.717	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCSC(C)(C)C1	751494907	SRDQUODXRRGHGF-NSHDSACASA-N	301.456	1.396	50	20	DDGD	
N#CSCCCNC(=O)C1=NN(c2ccccc2)C(=O)CC1	854363957	UNVPKERMKARVHQ-UHFFFAOYSA-N	316.386	1.890	50	20	DDGD	
CC(C[C@H]1CCOC1)=NNC(=O)c1ccc(-n2cnnn2)cc1	751523111	WNTGRUHRDKMIFZ-GFCCVEGCSA-N	314.349	1.195	50	20	DDGD	
Nc1ncc2c(n1)CCCC2=NNC(=O)OCC(F)(F)F	853428620	OFICOSPKXAYNEV-UHFFFAOYSA-N	303.244	1.388	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2ncccn2)C[C@@H](C)C1(F)F	858545177	BPWYNFWAPAVGCM-RKDXNWHRSA-N	313.308	1.054	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NCCC(C)(C)F	851914877	BZKKCINDPYYSGB-UHFFFAOYSA-N	321.356	1.725	50	20	DDGD	
CCCN1CC[C@@H](NC(=O)NNC(=O)c2cc(C)cs2)C1	858620324	WDJQLBIMGIHRSH-LLVKDONJSA-N	310.423	1.485	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	756779827	MURQVBLGCHKQHC-UHFFFAOYSA-N	316.239	1.376	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc3c(c2)C[C@H](C)O3)n1	933149881	MGEUABTWTYLRIX-VIFPVBQESA-N	315.333	1.957	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1C(=O)NN[C@H](C)C(F)(F)F	862305529	PTFPHUWFISPKCA-ZCFIWIBFSA-N	307.228	1.789	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)CNc2ccccc2)[C@@H]1C	863853475	ZWTGFQVBNHLJSN-NWJSVONSSA-N	305.378	1.305	50	20	DDGD	
CN(Cc1ncc[nH]1)C(=O)NC[C@]1(C)C[C@H]1Br	868795746	OTTUMFJZRUPILY-KCJUWKMLSA-N	301.188	1.725	50	20	DDGD	
CC(=O)NNC(=O)c1cccc(C)c1NC(=O)c1ccncc1	765989497	BSMMFKWNAILIOO-UHFFFAOYSA-N	312.329	1.423	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)NCCC1CCC1	765826197	FLSYNTXZFVLIAO-UHFFFAOYSA-N	311.407	1.906	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@H](OC)c1cccc(OC)c1	862370928	VZOCARZVZZFRGR-FQNOHDAGSA-N	304.346	1.943	50	20	DDGD	
COc1ccc2c(c1)OC[C@H](NC(=O)NNC(=O)C1CCC1)C2	768111897	LWETUBQYKKWHNI-GFCCVEGCSA-N	319.361	1.129	50	20	DDGD	
Cc1nnc(NNC(=O)Cc2ccc(C(C)(C)C)cc2)nc1O	767849565	BXJMHIDISINJRC-UHFFFAOYSA-N	315.377	1.869	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNC(=O)Cc2ccccc2F)n1	865635348	MPDHVBJPBQVEII-NSHDSACASA-N	318.352	1.357	50	20	DDGD	
C=C(C)COCCNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	762372422	NXUZHSJFVKPOTD-UHFFFAOYSA-N	322.321	1.132	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1CCSC1	762544345	AHPUQMLHIVHOPO-SECBINFHSA-N	300.405	1.286	50	20	DDGD	
CCc1c(C(=O)NNCC(F)(F)C(F)(F)F)cnn1C	863093457	NAGHFJAJZYNINX-UHFFFAOYSA-N	300.231	1.415	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCSC1)c1ccc2ccccc2n1	761787564	YTPLBQPYMGSEBN-NSHDSACASA-N	301.371	1.749	50	20	DDGD	
C#CCC(C)(C)C(=O)OCC(=O)NNC(=O)c1cccs1	767642898	CRNMCWZNSZFPHQ-UHFFFAOYSA-N	308.359	1.102	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)c2cn[nH]c2)[C@@H]1Oc1ccccc1	863153957	JIZWHVDYXJIMKQ-GJZGRUSLSA-N	314.345	1.752	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)CCCCNC(N)=O	862285436	PQOCKMUEZYVQPF-UHFFFAOYSA-N	322.365	1.125	50	20	DDGD	
COc1cc(O)c(C=NNC(=O)c2c[nH]nc2C)cc1OC	768362758	PXNCKQOZIGXIHA-UHFFFAOYSA-N	304.306	1.205	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc(Cn2cncn2)cc1)C(F)(F)F	862306573	LWWAIRWTJIGRQU-SECBINFHSA-N	313.283	1.512	50	20	DDGD	
C=C[C@@H](CC(=O)NNC(=O)COCCOC)c1ccccc1	869907845	GAAPTVGCTWHAGI-ZDUSSCGKSA-N	306.362	1.157	50	20	DDGD	
Cc1cc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)ns1	769298249	ZXBOSJYWKOJQPN-VIFPVBQESA-N	313.379	1.190	50	20	DDGD	
CCOC(=O)N1CCC[C@H](C(=O)NN[C@@H](C)C(F)(F)F)C1	862307425	KWZCFIZVYQEFBL-IUCAKERBSA-N	311.304	1.427	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2cnc(C3CC3)s2)n[nH]1	869012203	JXBCPGXEJBOQSM-UHFFFAOYSA-N	305.363	1.056	50	20	DDGD	
C[C@H](O)c1cn(CC(=O)NNc2cccc(F)c2Cl)nn1	862507786	BCCQJIYSNYUXPK-ZETCQYMHSA-N	313.720	1.267	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21	862094471	ASPLKURIKKEGLU-RDEFGAFOSA-N	300.358	1.145	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@H]1CCC[C@H](c2ccccc2)C1	1116758540	UUPYGDPCPRJHOV-STQMWFEESA-N	319.361	1.216	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC[C@@H](CC(N)=O)C1	768223212	KLTGGRAKCWXVNA-GXSJLCMTSA-N	319.243	1.910	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C1CCC(O)CC1	761748417	BGJCFGUZBKKUPB-UHFFFAOYSA-N	306.362	1.871	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1ccc(OCC(F)(F)F)cn1	765492484	DKKHDAZUIPVPCW-UHFFFAOYSA-N	312.251	1.597	50	20	DDGD	
CC(=O)CCC(=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	765608504	XWPRTSIZBZHKJK-UHFFFAOYSA-N	318.308	1.346	50	20	DDGD	
CCO[C@@H]1CCCC1=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1	766431167	DQZKPFXFBYNYDM-CYBMUJFWSA-N	306.322	1.852	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2NC(=O)O[C@@H]2C)cc1C	873763323	UWZKGHWXRAZMKZ-KOLCDFICSA-N	322.390	1.118	50	20	DDGD	
O=C(CN1C[C@@H]2CCC(=O)c3cccc1c32)NNC(=O)C1CC1	767030267	AMYHFACMQSYZIN-NSHDSACASA-N	313.357	1.124	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CN(C)C(=O)C2CC2)c1	873774417	LKIRZVAJINLFKD-UHFFFAOYSA-N	320.418	1.181	50	20	DDGD	
Cc1cc(C(=O)NN=c2sc3ccccc3n2C)cc(O)n1	777292526	ZIFXKDXMSZEARG-UHFFFAOYSA-N	314.370	1.895	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(OC(F)F)cn1	772405902	KDJQQDKMPVCBMY-UHFFFAOYSA-N	302.281	1.427	50	20	DDGD	
C[C@@H]1CC[C@@H](C(=O)NNc2nc3ccccc3c(=O)n2C)C1	776476751	NRRZVWQHHRMPIP-GHMZBOCLSA-N	300.362	1.813	50	20	DDGD	
COc1ncc(Br)cc1C=NNC(=O)NC(C)C	872346574	WRFNEKLDHQHOAV-UHFFFAOYSA-N	315.171	1.894	50	20	DDGD	
O=C(O)c1cccc2c1C(=NNC(=O)[C@H]1CCCCO1)CC2	872379363	VMIFETCASXURAX-CYBMUJFWSA-N	302.330	1.720	50	20	DDGD	
CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NNc1ccccn1	777472259	CUFOTZOCCMUGBF-OCCSQVGLSA-N	319.409	1.745	50	20	DDGD	
O=C(CCOc1ccccc1[N+](=O)[O-])NNc1ccccn1	777475258	WEPFGVVJDCOLTF-UHFFFAOYSA-N	302.290	1.902	50	20	DDGD	
CC(C)CSCCNC(=O)NNc1nncc(N)c1Cl	1116380892	LZGSGFADKNFVFF-UHFFFAOYSA-N	318.834	1.728	50	20	DDGD	
COC(=O)c1ccccc1CC(=O)NNc1nc(C)cc(C)n1	775651336	MPHCPSXGRWMZHM-UHFFFAOYSA-N	314.345	1.566	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCO[C@H](C)C2)cc1C	776341438	SVBBIIFVFKUBJL-ZIAGYGMSSA-N	320.389	1.645	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H](C)CC(N)=O)c1	873756186	CGAZDTPDAZPADX-SNVBAGLBSA-N	308.407	1.133	50	20	DDGD	
Cc1cc(=NNC(=O)NCc2ccc(N(C)C)c(F)c2)cc[nH]1	875181454	LYDDDADSIPBJSQ-UHFFFAOYSA-N	317.368	1.843	50	20	DDGD	
COc1cc(F)cc(CNC(=O)NNC(=O)CC(F)(F)F)c1	770307386	RRUBFWAJCMXDPR-UHFFFAOYSA-N	323.246	1.617	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)COc2ccc(F)cc2)c(C)n1	777275080	QAQVHZPCIUTLEP-UHFFFAOYSA-N	318.308	1.073	50	20	DDGD	
CCC1(CC)[C@H](NC(=O)NN(C)C(=O)OC)[C@@H](C)[C@H]1OC	875447229	MZHZMIIBKVJECS-GMTAPVOTSA-N	301.387	1.739	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC[C@H](N2CCCCC2=O)C1	870830921	MQVJQMNOTUHTSV-DINCDJDBSA-N	305.378	1.434	50	20	DDGD	
CSc1ccc(NC(=O)C(=O)NNc2ncccn2)cc1	773720266	WPKWXEASICRFJW-UHFFFAOYSA-N	303.347	1.280	50	20	DDGD	
COc1ccc([C@H](C)N[C@@H](C)C(=O)NNC(=O)CC(C)C)cc1	774850353	PIYUNWQWKAUZOE-STQMWFEESA-N	321.421	1.928	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNc2ncccn2)c(F)cc1F	775497729	DFBGKKQMEBOWCO-UHFFFAOYSA-N	323.259	1.690	50	20	DDGD	
C[C@H]1CN2CCN1C[C@@H]2C(=O)NNc1cccc(F)c1Cl	1123839740	NOQDVGYBFLAAAU-JOYOIKCWSA-N	312.776	1.311	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCc2c(Cl)cccc21	775723618	CGFUZDUIWOBUOC-LLVKDONJSA-N	318.764	1.863	50	20	DDGD	
Cn1ncc2cc(C(=O)NNc3cnc4ccccc4n3)cnc21	774787564	GJPLGMSDTXNOIG-UHFFFAOYSA-N	319.328	1.668	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H](C)CCCc2ccccc2)nc1O	776222103	GJFPKZURUCNJJJ-NSHDSACASA-N	315.377	1.988	50	20	DDGD	
C=C/C=C\CCNC(=O)NNC(=O)COc1ccc(C)cc1	883913250	PDIQHGGZNDVXSF-PLNGDYQASA-N	303.362	1.837	50	20	DDGD	
CCC(CC)n1nccc1C(=O)NNC(=O)C1CCOCC1	883066248	QJXNEQPGWXZDDD-UHFFFAOYSA-N	308.382	1.432	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(C(=O)OC)cc1F	887147146	ZOSMCHJIDYKRNS-UHFFFAOYSA-N	306.293	1.177	50	20	DDGD	
O=S(=O)(CCCCl)N1CCC[C@@H](N2CCOCC2)CC1	882336927	OBRDCYHHEYWVSL-CYBMUJFWSA-N	324.874	1.132	50	20	DDGD	
COc1cccc(OC)c1CNS(=O)(=O)CCCCl	882390448	ODTJXWUATBIYLJ-UHFFFAOYSA-N	307.799	1.752	50	20	DDGD	
NC(=O)N1CCC[C@H](C(=O)NNc2c(F)cc(F)cc2F)C1	885150951	PRYNPZSXRFARDY-ZETCQYMHSA-N	316.283	1.338	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(C(F)(F)F)nn1	788298068	UKEYETCTEUBBAN-UHFFFAOYSA-N	306.248	1.193	50	20	DDGD	
C[C@H](CCc1ccccc1F)C(=O)NNC(=O)C1CCOCC1	883064773	NVUVLUDOWIHNDN-GFCCVEGCSA-N	322.380	1.968	50	20	DDGD	
COCCNCCc1cn(/C(Cl)=C/CBr)nn1	881310820	QAQLZSVTKAHNTN-WTDSWWLTSA-N	323.622	1.489	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CC1(CC(=O)OC)CCCC1	887148348	YGBJPWLWAWBJHY-UHFFFAOYSA-N	308.378	1.451	50	20	DDGD	
C[C@@H](Sc1ccccn1)C(=O)NNC(=O)C1CCOCC1	883065478	MHKRAFWPQIVDNX-SNVBAGLBSA-N	309.391	1.136	50	20	DDGD	
O=C(Cn1ccc(C(F)(F)F)n1)NNc1ccnc(F)c1	781364181	XUHQSCIJYYQUEP-UHFFFAOYSA-N	303.219	1.579	50	20	DDGD	
O=C(CCCc1ccsc1)NNC(=O)Cc1cccnc1	783046056	OLYBTKCWGMTADE-UHFFFAOYSA-N	303.387	1.856	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2ncncc2Cl)CN1C1CC1	780998420	UYORTHZXPUVLEB-IUCAKERBSA-N	310.789	1.381	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H](C(C)C)C2)c(O)c1	892926973	OVKMYFWFURFKFK-IUODEOHRSA-N	320.389	1.913	50	20	DDGD	
O=C(NNc1cnccn1)C1CCC(NC(=O)C2CC2)CC1	793852000	PAKOFIZFGNZXIA-UHFFFAOYSA-N	303.366	1.005	50	20	DDGD	
CC(COC(C)C)=NNC(=O)c1nnc(O)c2ccccc12	799869780	KEXNYKJCUAYVLY-UHFFFAOYSA-N	302.334	1.866	50	20	DDGD	
CC(C)n1nccc1C=NNC(=O)c1ccnc(N(C)C)c1	794510911	ZGALACACKVUHCQ-UHFFFAOYSA-N	300.366	1.689	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C(C)c1cc(C)on1	790288740	VWIMFNLDJFUJIN-UHFFFAOYSA-N	302.334	1.944	50	20	DDGD	
CCC(=NNC(=O)NC)c1ccc(Cl)c(S(N)(=O)=O)c1	794494096	JGFKEHNHIAZXID-UHFFFAOYSA-N	318.786	1.031	50	20	DDGD	
CCn1nc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])ccc1=O	791067586	VTRQERXDFAHUSF-UHFFFAOYSA-N	321.268	1.067	50	20	DDGD	
C[C@@H]1COCCC1=NNC(=O)c1nnc(O)c2ccccc12	794470892	MOUCADZIWCEVSJ-SECBINFHSA-N	300.318	1.478	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=Cc1cn(C)cn1	794476377	KMVVKQRUGMIDCF-UHFFFAOYSA-N	310.361	1.483	50	20	DDGD	
COc1cccc(S(=O)(=O)NNC(=O)c2cccc(C)n2)c1	794600413	DOEDKZWQXGQLKI-UHFFFAOYSA-N	321.358	1.022	50	20	DDGD	
CSSCCNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1	791150507	NICVBHFSZKKANK-ZETCQYMHSA-N	316.370	1.525	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](c1cccnc1)C(C)C	797903776	AYJMIYAFRMUQCY-BXUZGUMPSA-N	321.377	1.310	50	20	DDGD	
Cn1cncc1CCC(=O)NNc1cc(C#N)cc(Cl)n1	793758117	KXAUDPNDGKZJMK-UHFFFAOYSA-N	304.741	1.416	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2c[nH]c(Br)c2)n1	1324998737	GAITYPLOJYUBJG-UHFFFAOYSA-N	323.150	1.555	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1321072898	XSSJPUUVUFMPBX-ZANVPECISA-N	308.382	1.111	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccn(-c2ccncc2)n1	1322091788	GRVUAEDFQGSYKM-UHFFFAOYSA-N	323.360	1.938	50	20	DDGD	
C[N+](C)(C)CC(=O)NN=Cc1cc(Cl)cc([N+](=O)[O-])c1O	1248410976	QSHOHDAYDARPCW-UHFFFAOYSA-O	315.737	1.110	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=Cc1ccccc1N1CCCC1	1328384368	JASOFVLOVWTLKD-UHFFFAOYSA-O	309.393	1.725	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@]23CC[C@H](CC2=O)C3(C)C)n1	1346257410	GENLIRGXNURELU-HWPZZCPQSA-N	318.377	1.632	50	20	DDGD	
Cc1oc(-c2cnn(C)c2)nc1C(=O)NNc1ncncc1F	1261248606	OALXZTZFAPPJLN-UHFFFAOYSA-N	317.284	1.070	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cc(=NCc2ccccc2)cc[nH]1	1348683800	ANPZPVIPBLLPTI-UHFFFAOYSA-N	324.384	1.677	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NNc2nncc(N)c2Cl)C1	1351284668	SCTIXLDAOWRVFK-HTRCEHHLSA-N	321.772	1.245	50	20	DDGD	
CC[C@H](NC(=O)C(=O)NC[C@]1(C)C[C@H]1Br)C1CC1	1351191890	RTWUSXYSIUXDCW-CWSCBRNRSA-N	317.227	1.581	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CCc2nccn2C)cc1	1521676680	HXVLKUMNQAFWBT-UHFFFAOYSA-N	316.361	1.212	50	20	DDGD	
CCn1cc(C(=O)NNc2ccc(C(=O)O)cc2OC)c(C)n1	1605917479	VYVDHDVKHJPAGY-UHFFFAOYSA-N	318.333	1.675	50	20	DDGD	
Cn1ncc(C(=O)NNc2ncccc2C(=O)O)c1C1CC1	1605550666	URYRLUWWAOHBMR-UHFFFAOYSA-N	301.306	1.148	50	20	DDGD	
CCc1ccc(NNC(=O)[C@H]2CO[C@@H](CCC(=O)O)C2)cc1	1603975626	YMIJYUDQJKTKGI-OCCSQVGLSA-N	306.362	1.962	50	20	DDGD	
Cn1nccc1CC(=O)NNc1ccc(C(=O)O)c(Cl)c1	1601037025	AJTIZXZSCJAAFM-UHFFFAOYSA-N	308.725	1.458	50	20	DDGD	
O=C(O)c1cc(OS(=O)(=O)CCCCl)ccc1[N+](=O)[O-]	1602288267	OXXCGFFAFLVBAT-UHFFFAOYSA-N	323.710	1.631	50	20	DDGD	
O=C(O)c1cc(C(=O)NNc2nc(C(F)(F)F)cs2)on1	1602246971	HDCJCIUVOMJCHK-UHFFFAOYSA-N	322.224	1.605	50	20	DDGD	
O=C(O)[C@@H]1CSCCN(S(=O)(=O)CCCCCl)C1	1610748157	DJOKQFWOANPEGJ-VIFPVBQESA-N	315.844	1.085	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)[C@@H](N)c2ccccc2)nc(N)n1	1579636287	ZQPNYJYVCRFUNH-GXFFZTMASA-N	300.366	1.146	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCCCC23CCNCC3)o1	1579663949	REKYGZICTWBRNY-CYBMUJFWSA-N	319.405	1.909	50	20	DDGD	
Cc1nnc(NNC(=O)N[C@@H](CCCN)c2ccccc2)n1C	1579912696	KYUVQONSBRYUCV-ZDUSSCGKSA-N	317.397	1.230	50	20	DDGD	
CC(C)NCC(=O)NNC(=O)c1ccccc1Br	1575727968	WGEMURLIYJRIAB-UHFFFAOYSA-N	314.183	1.208	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@H]1NCCc2occc21	1580739314	CTVYXUXVKHWAJQ-LBPRGKRZSA-N	320.280	1.657	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)c1cn([C@@H]2CCCNC2)nn1	1580739259	AZOQCSGCMYMIPZ-SNVBAGLBSA-N	321.772	1.008	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(OCCC(=O)O)cc1	1596665402	VEUIPZPCHKGXQH-UHFFFAOYSA-N	311.294	1.323	50	20	DDGD	
CN1CCC(NC(=O)NNc2cccc(C(=O)O)c2F)CC1	1598586661	PZEDUNGWESQDRF-UHFFFAOYSA-N	310.329	1.244	50	20	DDGD	
COCCN(CC(C)C)NC(=O)[C@H]1CCC[C@@H](C(=O)O)C1	1599235391	YGXWTQBUPVONCX-QWHCGFSZSA-N	300.399	1.513	50	20	DDGD	
O=C(O)/C=C\c1cc(C(=O)NNC(=O)NCc2ccco2)co1	1594969472	ZCFHNLSEJCAABO-ARJAWSKDSA-N	319.273	1.115	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC2(CC(=O)O)CCCCC2)cn1	1594538885	RUZMVLDGMHBSLJ-QPEQYQDCSA-N	316.361	1.621	50	20	DDGD	
O=C(NNc1cccnn1)c1ccc(Cl)c(-c2nn[nH]n2)c1	1593166802	OLAROZSRRNMLAY-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
N#Cc1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)ccc1F	1592687859	LKAMSCDXTMWDMR-UHFFFAOYSA-N	324.279	1.029	50	20	DDGD	
C[C@@H](Oc1cccc(C=NNC(=O)c2cnsn2)c1)C(=O)O	1776105134	PJMIPFAMNOQLLN-MRVPVSSYSA-N	320.330	1.154	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cc(C(=O)O)ccc1OC	1776118256	XVJWHVTWXASGNF-WQLSENKSSA-N	304.302	1.063	50	20	DDGD	
CC(C)[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Cl)C2	1793229396	UCPZWGBLRJFZFX-KZZRWZIVSA-N	320.792	1.176	50	20	DDGD	
CC(C)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2	1795104376	WTFUOUDNQOHSHL-LYIQGSDWSA-N	320.792	1.157	50	20	DDGD	
CC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2	1795157418	MFJWAADFEJBUTD-VLEAKVRGSA-N	320.792	1.157	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1csc([C@H]2CCCO2)n1	160199436	CPGMDAIJKUFUMQ-SNVBAGLBSA-N	306.347	1.398	50	20	DDGD	
O=C(CNC(=O)OCC(F)(F)F)NNc1ccccc1F	153298354	GZBGUOFHSAYNQJ-UHFFFAOYSA-N	309.219	1.557	50	20	DDGD	
O=S(=O)(CCCCCl)NC[C@H](O)c1ccc(F)cc1	154310021	CFEFNPDWXOFMNE-LBPRGKRZSA-N	309.790	1.798	50	20	DDGD	
COc1ccc(NNC(=O)c2cccc(C(=O)N(C)C)c2)nc1	159319589	AMVYASZUIXSQED-UHFFFAOYSA-N	314.345	1.549	50	20	DDGD	
COc1ccc(NNC(=O)c2c(F)cc(C#N)cc2F)nc1	159175268	RVBSTFGOUPMSRY-UHFFFAOYSA-N	304.256	1.997	50	20	DDGD	
CC(C)(CNC(=O)c1cccc(CCl)c1)NS(C)(=O)=O	111778432	DONXNMJHHOUVBA-UHFFFAOYSA-N	318.826	1.483	50	20	DDGD	
C[C@@H](CN(C)S(=O)(=O)CCl)NC(=O)OC(C)(C)C	859411109	WYWPFLUYPHDQCV-QMMMGPOBSA-N	300.808	1.358	50	20	DDGD	
O=C(NNS(=O)(=O)c1cccc(F)c1)c1ccccc1O	7415888	GNDHXBQHEVOAIQ-UHFFFAOYSA-N	310.306	1.155	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1occc1C	52605293	PZJFNROOBMAKCI-UHFFFAOYSA-N	304.302	1.437	50	20	DDGD	
N#CC1(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCCCC1	57379605	PFSRVFXNOQOCJW-UHFFFAOYSA-N	316.317	1.830	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1c(Cl)nc2ccccn12	110762024	IUSRSWURYSRTEE-UHFFFAOYSA-N	318.724	1.094	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@H]2CCCc3occc32)cn1	117958175	OUXJGOZSBFHQLH-NSHDSACASA-N	303.322	1.035	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)[C@@H]1COc2ccccc21	175103338	AZDWLXGFTNOZLG-CQSZACIVSA-N	311.341	1.422	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@H](C)N2CCC(C)CC2)n1	67706263	UBTAGBJNFWLEDI-AWEZNQCLSA-N	320.441	1.840	50	20	DDGD	
CCCOc1cccc(C(=O)NNC(=O)NCC(F)(F)F)c1	60411355	AWJRNTCILHUOCE-UHFFFAOYSA-N	319.283	1.982	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H](CCN(C)C)C(C)(C)C)n1	116566418	XQDYEFJYNCBCJJ-NSHDSACASA-N	324.429	1.478	50	20	DDGD	
C[S@@](=O)CCCNS(=O)(=O)c1ccc(CCl)cc1	306073647	XWEIYQKGMYGUOF-QGZVFWFLSA-N	309.840	1.472	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)Cc2cc(C)[nH]n2)c1	121052695	FTFPVUFRXDHDSG-UHFFFAOYSA-N	316.361	1.104	50	20	DDGD	
C[C@H](Oc1cccnc1)C(=O)NNc1cc(C#N)cc(Cl)n1	126262754	ASVXRYUWMNMHDY-VIFPVBQESA-N	317.736	1.912	50	20	DDGD	
Cc1ccc(CC(=O)NN(C)C(N)=O)cc1Br	188678755	MPCBBSLQTKEVPI-UHFFFAOYSA-N	300.156	1.342	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCC(F)(F)F)cc([N+](=O)[O-])c1	124901444	OKYGRUFGTPUALE-UHFFFAOYSA-N	320.227	1.410	50	20	DDGD	
CCn1c(=O)n(CC(=O)NNc2ccccc2)c2ccccc21	73070885	REXFDVWUIFDWIT-UHFFFAOYSA-N	310.357	1.966	50	20	DDGD	
C[C@H]1Cc2ccccc2N1CCNC(=O)NNC(=O)C(C)(C)C	129666792	OHRKKGAAOCNQIC-LBPRGKRZSA-N	318.421	1.814	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cnn(C(C)C)c2)cc1	188530854	BVFLXVWWHDJBRE-UHFFFAOYSA-N	316.361	1.612	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2ccnnc2)cc1	129244761	MDNWEIYHBCDGGC-UHFFFAOYSA-N	302.359	1.338	50	20	DDGD	
Cc1nn(C(C)(C)C)cc1C(=O)NNc1ncnc2nc[nH]c12	182727967	IYQKQOVZBZBVFL-UHFFFAOYSA-N	314.353	1.370	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)/C=C/c1ccsc1	77163862	ZVZQMXNNNUQETK-AATRIKPKSA-N	309.391	1.214	50	20	DDGD	
N#CC(C#N)=CNCc1ccc(N2CCCS2(=O)=O)cc1	185481355	GSYWWIYUSWMRAU-UHFFFAOYSA-N	302.359	1.247	50	20	DDGD	
O=C(COC[C@H]1CCCO1)NNc1ccc(C(F)(F)F)nn1	124376795	HTEMFHBTUKTBJB-MRVPVSSYSA-N	320.271	1.134	50	20	DDGD	
CC[C@H](C)[C@@H](C)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	182724793	XZODJLNRVVAWOY-WDEREUQCSA-N	306.362	1.901	50	20	DDGD	
COc1cccc2c1CCN(C(=O)NNC(=O)C(C)(C)C)C2	182519157	MXUUCDVJXBHEKQ-UHFFFAOYSA-N	305.378	1.840	50	20	DDGD	
COCCOc1cc(C(=O)NNc2ccnc(F)c2)ccn1	182423668	FCWXKQFQIBNFPP-UHFFFAOYSA-N	306.297	1.398	50	20	DDGD	
CC(C)[C@H](CNC(=O)NN(C)c1ccccc1)N1CCOCC1	139764519	GWFAVJWGFJOWCC-INIZCTEOSA-N	320.437	1.694	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C(C)(C)C)nnn1-c1ccccc1	79566385	KZAMMLPBEJROFF-UHFFFAOYSA-N	301.350	1.383	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccccc1OC(F)F	78481286	ZWMLJLWQZLYXFC-UHFFFAOYSA-N	309.272	1.701	50	20	DDGD	
Cc1noc(CCC(=O)NNC(=O)CCc2ccccc2)n1	132536701	GLJQERTVJYJMKJ-UHFFFAOYSA-N	302.334	1.091	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H](C)Oc1ccc(C#N)cc1	46704668	BOTQVMATJVBVPD-NSHDSACASA-N	304.350	1.456	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Cc2cc3ccccc3[nH]c2=O)n1	47073511	CTVSKHGMVMQDNF-UHFFFAOYSA-N	323.356	1.621	50	20	DDGD	
COc1nccnc1NNC(=O)c1cccnc1Br	131835491	WQRZDUDAZVBXJB-UHFFFAOYSA-N	324.138	1.400	50	20	DDGD	
CNC(=O)[C@@H](C)CN(C)C(=O)c1c(C)nn(CCCl)c1C	81439913	LTEFOOFJXSRBCT-VIFPVBQESA-N	314.817	1.193	50	20	DDGD	
CSC1(CNC(=O)NNC(=O)Cc2ccccc2F)CC1	195163354	OXABGASDMXBNHC-UHFFFAOYSA-N	311.382	1.594	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H]1C[C@H]1c1ccccc1C	94120962	VRJTVAOCWYVLGC-QWHCGFSZSA-N	323.487	1.957	50	20	DDGD	
CC[C@H](C)[C@H](C)NC(=O)NNc1ccc(-n2cccn2)nn1	98122261	SWXXUCGJDAUJRB-QWRGUYRKSA-N	303.370	1.723	50	20	DDGD	
O=C(NN=Cc1ccc(F)cc1)c1ccc(-n2cnnn2)cc1	254478949	LKWLTNUSKAYRFV-UHFFFAOYSA-N	310.292	1.565	50	20	DDGD	
O=C(NNc1ccc(-n2cccn2)nn1)N[C@H]1CCCSC1	267315289	MTTDSJAOSGHJRV-JTQLQIEISA-N	319.394	1.184	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cc(O)nc2ccc(F)cc12	265672130	UABIJHRCJSNWII-UHFFFAOYSA-N	305.309	1.887	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1	264767291	NOVAFAKMNQWTEB-UHFFFAOYSA-N	302.290	1.637	50	20	DDGD	
CC[C@@H]1CCC[C@H]1NC(=O)NNc1nc(O)c2cnn(C)c2n1	269301382	UOCCJKQVGIBRKH-PSASIEDQSA-N	319.369	1.274	50	20	DDGD	
CCCOc1ccc(CNC(=O)NNC(=O)CC(C)C)cn1	264466373	KCFBXXOYQOKSDU-UHFFFAOYSA-N	308.382	1.747	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)cccc1[N+](=O)[O-]	265255305	RFYLMFLREHLOEY-XWIASGKRSA-N	306.322	1.849	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)n1	279925907	MVWDGDNRGWTHRA-AVGNSLFASA-N	302.378	1.770	50	20	DDGD	
COc1ccc(NNC(=O)c2cc3c(cn2)OCCC3)nc1	368736326	PUKWAXPLVUAANR-UHFFFAOYSA-N	300.318	1.567	50	20	DDGD	
Cc1cc(CC(=O)NNc2nnc(-c3ccccn3)s2)no1	365095394	GSPKTGPVOGQBLV-UHFFFAOYSA-N	316.346	1.582	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc(O)nc(C(C)C)c2)n1	279755777	DJUPKPQOZYGEEX-UHFFFAOYSA-N	314.345	1.689	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NNc2nc3ccccn3n2)C1(C)C	276898424	NQXQLMYADKAODN-MVWJERBFSA-N	318.381	1.415	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](C)Cc1ccc(OC)c(OC)c1	272651403	FMHYKRLCCITENX-LLVKDONJSA-N	323.393	1.575	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NC[C@@H]1CCS(=O)(=O)C1	274504244	JANBSFBGRSTKAO-JTQLQIEISA-N	315.370	1.195	50	20	DDGD	
COC(=O)c1cc(C(=O)NNC(=O)CC2CCCC2)ccn1	278760887	TVGHTYUQQWKOQO-UHFFFAOYSA-N	305.334	1.210	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@H]1CCc2[nH]ncc2C1	270130618	BJMKVTGEAAYEEE-VIFPVBQESA-N	301.306	1.566	50	20	DDGD	
CC(C)Cc1cccc([C@@H](C)C(=O)NNC(=O)C(C)(C)O)c1	286756937	KIQNGMHCOJUHEY-GFCCVEGCSA-N	306.406	1.907	50	20	DDGD	
CC(=O)N1CCC[C@@H](CNC(=O)NN(C)c2ccccc2)C1	280644274	RNDCMWOVCXTGDW-AWEZNQCLSA-N	304.394	1.596	50	20	DDGD	
CC(=O)N1CCCN(C(=O)[C@@H](Br)C(C)(C)C)CC1	373349648	WFOYPDWZUGPAOE-LLVKDONJSA-N	319.243	1.877	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCCc1nnc(N)o1	286763809	KXTMCUAPPUCJJA-ZETCQYMHSA-N	305.176	1.120	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)n1	282117393	GDCRWMLLSXTFKB-DMDPSCGWSA-N	307.398	1.579	50	20	DDGD	
Cc1cc(/C=C(\C#N)C(=O)NCCO)c(C)n1C[C@@H]1CCCO1	298076807	JEIJUQWZYINIFY-LRQZKABGSA-N	317.389	1.299	50	20	DDGD	
CN(C)c1ccc(CCC(=O)NNC(=O)NC2CCCC2)cc1	299303719	ANHNJGNZQWTBFB-UHFFFAOYSA-N	318.421	1.958	50	20	DDGD	
Cc1cnc(COCC(=O)NNc2cccc([N+](=O)[O-])c2C)o1	802830294	QKCFEAXKLDOIFL-UHFFFAOYSA-N	320.305	1.860	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N(C)Cc2nccn2C)cc(C#N)n1C	298077578	FCTMTEMEQYBMJD-VGOFMYFVSA-N	322.372	1.504	50	20	DDGD	
COCCN(C)NC(=O)[C@H](C)n1ccc2ccccc2c1=O	293742730	XJXDBUUYDCWLHU-LBPRGKRZSA-N	303.362	1.172	50	20	DDGD	
CCc1c(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)cnn1C	802001903	ZHFVHBKUOBNWDI-UHFFFAOYSA-N	323.303	1.727	50	20	DDGD	
Cc1ccc2cccc(C(=O)NNC(=O)[C@@H]3CCCCO3)c2n1	295606157	QHUZILCPVYXALG-AWEZNQCLSA-N	313.357	1.873	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@@H](O)C(C)C)c1C	291492667	TWKONVIDHCOELQ-JSGCOSHPSA-N	308.378	1.235	50	20	DDGD	
COc1ccc(-c2n[nH]cc2C(=O)NNC(=O)CC2CC2)cc1	294097341	JAARVWPIRFBNOY-UHFFFAOYSA-N	314.345	1.646	50	20	DDGD	
Cc1ccnc2ccc(C(=O)NNC(=O)[C@H]3CCCCO3)cc12	295350914	IPXRADGQYTWNCR-OAHLLOKOSA-N	313.357	1.873	50	20	DDGD	
CCC(CC)n1nc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1C	294018975	WLQZISNNKZZPJM-FZMZJTMJSA-N	322.409	1.881	50	20	DDGD	
CC[C@@H](C)CC(=O)NNc1ccccc1S(=O)(=O)N(C)C	292133079	INNYEHHCRLXSKW-LLVKDONJSA-N	313.423	1.816	50	20	DDGD	
CC/C(C)=C/C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1	294605590	QLVMADMWXJLKOO-ZHACJKMWSA-N	323.418	1.927	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)C2[C@@H]3CCC[C@@H]23)cc1	802124086	CBRURUUWTMRFQY-CHWSQXEVSA-N	302.378	1.951	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCc2ccccc21)[C@@H]1CCCCO1	295622140	RRUCYIGWXWXOPC-CABCVRRESA-N	302.374	1.823	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@](C)(OC)C2CC2)nc1C	291936459	OXDRSUDMZZDWJU-HNNXBMFYSA-N	322.365	1.220	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)OCCOCCC#N)cc(C#N)n1C	815184864	LEWKUYFRBGEXSR-ZSOIEALJSA-N	312.329	1.586	50	20	DDGD	
Cn1nncc1NNC(=O)CCc1ccccc1Br	816769270	ALFITALVHHPWCA-UHFFFAOYSA-N	324.182	1.654	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCCCCC1)c1csnn1	814766559	LOVNEUBRRMRONG-LLVKDONJSA-N	309.439	1.890	50	20	DDGD	
CC(C)[C@H]1CC(=NNC(=O)[C@@H](C)CN2CCOCC2)CS1	814762600	DYCHPZQFUUPALW-GXTWGEPZSA-N	313.467	1.588	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)c1c[nH]nc1C	814827267	BQYAFWGDTUMMBQ-UHFFFAOYSA-N	305.363	1.050	50	20	DDGD	
CCc1cc(NC(=O)NNC(=O)Cc2ccc(F)cc2)nn1C	817335017	VGKWDEHCLVTTRP-UHFFFAOYSA-N	319.340	1.517	50	20	DDGD	
C[C@H](Oc1ccc(C=NNC(=O)[C@@H]2CCCS2)cc1)C(=O)O	819820045	SJMYKWFWTNRBQX-GWCFXTLKSA-N	322.386	1.884	50	20	DDGD	
C=CCCCCCCCNC(=O)NNC(=O)C(=O)N1CCCC1	812493733	SWDVNUJQQQKUQA-UHFFFAOYSA-N	324.425	1.466	50	20	DDGD	
N#Cc1ccc(N2CCC[C@@H]2C(=O)NNC(=O)CC2CC2)cc1	819144158	CAUOVAHRJVXPRL-OAHLLOKOSA-N	312.373	1.475	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccc(OCC(C)C)cc1	811933854	ZAOOJKVUHRKKFD-UHFFFAOYSA-N	324.377	1.145	50	20	DDGD	
Cc1sc(CC(=O)NNC(=O)c2ccnnc2)nc1C(C)C	817693749	VTXWXBLDPPKMAY-UHFFFAOYSA-N	319.390	1.369	50	20	DDGD	
CC(=NNC(=O)N=c1cc[nH]cc1)c1cc(C(=O)O)cs1	815003208	JINYDFCAFVANOY-UHFFFAOYSA-N	304.331	1.809	50	20	DDGD	
CCc1nocc1CN(C)[C@@H](C)C(=O)NNC(=O)CC(C)C	815172519	VDJZYXZIRHBLSP-NSHDSACASA-N	310.398	1.251	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CC1CC1)N1CCc2ccccc2C1	819114194	BTRQEJNJCCIQGG-LBPRGKRZSA-N	301.390	1.381	50	20	DDGD	
Cc1nnsc1C=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1	814216041	ZGRVAUAFVGDLMO-UHFFFAOYSA-N	306.307	1.101	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccn(C(C)C)c2C)n1	814756322	LZPAILJRFSTVRU-UHFFFAOYSA-N	317.393	1.652	50	20	DDGD	
O=C(NN=C[C@@H]1CCOC1)c1nn(-c2ccccc2)cc1O	812439756	YUVZMAAEVPEISD-NSHDSACASA-N	300.318	1.330	50	20	DDGD	
CN(C)c1cc(C#N)cc(C(=O)NNC(=O)c2ccccc2)c1	814360643	FYIAVBMQXBGHFV-UHFFFAOYSA-N	308.341	1.699	50	20	DDGD	
COc1nc(C)cc(C)c1CNC(=O)NNC(=O)C1CCCC1	727605356	GORSDDKVUXGUJC-UHFFFAOYSA-N	320.393	1.728	50	20	DDGD	
CCCC[C@H]1CCCC1=NNC(=O)[C@@H](C)NS(C)(=O)=O	728433354	DLCBZPJUBKGBCG-MNOVXSKESA-N	303.428	1.387	50	20	DDGD	
Cn1cc(-c2cccc(NC(=O)NNC(=O)C3CC3)c2)nn1	825699314	UEPDRHUGGLDJAO-UHFFFAOYSA-N	300.322	1.045	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCc1ccc(F)c(F)c1	728957232	OAJMOEOOKAWPPP-UHFFFAOYSA-N	320.299	1.433	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O)C1CCC1	827215677	ATRGZKRUAWCKHL-OLZOCXBDSA-N	307.394	1.115	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C2(C(C)C)COC2)c1	829003570	SRTRTGUYZGZRMT-UHFFFAOYSA-N	317.414	1.658	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2	492748794	OPLFTRBXOQFTSL-SNVBAGLBSA-N	311.382	1.047	50	20	DDGD	
CCO/C=C/[C@](O)(CNC(=O)/C(C#N)=C/OCC)C(F)(F)F	491015231	ZYKXBYCQYZDKHG-VRXRTHGZSA-N	322.283	1.390	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)CCOC2)NC1CCCC1	824342132	DBTJQDQICNBGLC-UHFFFAOYSA-N	303.362	1.646	50	20	DDGD	
N#C/C(=C/c1ccc(-c2nn[nH]n2)o1)c1nnc2n1CCCCC2	822795604	DAIQHXMDSKVADO-NTMALXAHSA-N	322.332	1.842	50	20	DDGD	
CCON1CCC(CC(=O)NNC(=O)c2ccc(C)o2)CC1	829831339	MJRILINGKIKZOU-UHFFFAOYSA-N	309.366	1.403	50	20	DDGD	
CN(C)C1(C(=O)NNC(=O)c2cccc(OC(F)F)c2)CC1	826011258	DAHBNJBCANSTSG-UHFFFAOYSA-N	313.304	1.143	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@]2(C)CCNC2=O)c(Cl)c1	822760150	GUBVWOWKXSVQSO-CQSZACIVSA-N	324.768	1.327	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCc2ccc(F)cc2)c1	728941974	LTXPQPRFRRJMPE-UHFFFAOYSA-N	312.304	1.842	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccccc1NC(=O)OC(C)(C)C	823946427	JRDPIIRNNWHMNE-LLVKDONJSA-N	323.393	1.991	50	20	DDGD	
O=C(CC1CCSCC1)NNc1ccc(-c2nn[nH]n2)cc1	826404442	ARDUHDGCQVEVPV-UHFFFAOYSA-N	318.406	1.843	50	20	DDGD	
Cc1cc(F)c(CC(=O)NNc2ccnc(N(C)C)n2)cc1F	825987878	PDTFDHOECRLVOE-UHFFFAOYSA-N	321.331	1.815	50	20	DDGD	
CCN1C[C@H](C)N(C(=O)/C(C#N)=C\c2cnn(C)c2)C[C@H]1C	491137278	XAMABXDZNDAPNR-IWDIYUMISA-N	301.394	1.268	50	20	DDGD	
Cc1ccc2oc(C(=O)NNC(=O)CC(F)(F)F)cc2n1	729524270	WHHIOGFVDPCLMT-UHFFFAOYSA-N	301.224	1.850	50	20	DDGD	
C[C@H]1SCC[C@H]1NC(=O)NNC(=O)CCc1ccccc1	827643065	JOJWVPNXVKHJBJ-DGCLKSJQSA-N	307.419	1.844	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc(OCC(F)(F)F)nc1	732144046	LGKVDSGAOJDKQZ-UHFFFAOYSA-N	317.267	1.584	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H]1CCc2cc(F)ccc21	823816696	XXMINIZAYVZPFL-CYBMUJFWSA-N	309.341	1.222	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)CCNC2=O	824315895	CGFIUSWDDAWTDM-SECBINFHSA-N	304.350	1.171	50	20	DDGD	
COc1ccccc1CN(C)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	827297357	DYFIZZWRYWZGHU-DGCLKSJQSA-N	321.377	1.293	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)/C(=C/c1ccccc1)C(F)(F)F	823917333	HYIMLMUVFIIECS-BKLZJWBFSA-N	302.296	1.976	50	20	DDGD	
COC(=O)Nc1ccc(NC(=O)NNC(=O)C(C)C)cc1F	495287331	VUCPGTYSJNOHMY-UHFFFAOYSA-N	312.301	1.813	50	20	DDGD	
Cc1ccc(NCc2ccc(B(O)O)o2)cc1C(=O)NC(C)C	585015867	BMMUHNJEQZPMRB-UHFFFAOYSA-N	316.166	1.018	50	20	DDGD	
CCC(CC)(Cc1nc2ccccc2s1)C(=O)NCB(O)O	585060567	SNBJRKLQDYRCII-UHFFFAOYSA-N	320.223	1.773	50	20	DDGD	
O=C(NC[C@@H]1OCCc2ccccc21)NNC(=O)C1CCCC1	733652099	UPEJVLYWKJCZMA-HNNXBMFYSA-N	317.389	1.821	50	20	DDGD	
OB(O)c1cccc(-c2noc(C3CCC(F)(F)CC3)n2)c1	585053445	KPFKKJXRPDHCBM-UHFFFAOYSA-N	308.093	1.709	50	20	DDGD	
CON(C)C(=O)CCC(C)=NNC(=O)c1ccc(O)c(O)c1	834975688	QNBUNJMAJFLCFB-UHFFFAOYSA-N	309.322	1.004	50	20	DDGD	
CCCCC(=O)N1CSC[C@@H]1C(=O)NNC(=O)C1CCC1	732145018	MVKPMDKQHRRPIU-LLVKDONJSA-N	313.423	1.026	50	20	DDGD	
CC(C)(C)OC(=O)NN=Cc1cn(Cc2cccnc2)nn1	495142010	UXYRFMAWYDWSRC-UHFFFAOYSA-N	302.338	1.580	50	20	DDGD	
CC[C@@H](O)[C@H](C)C(=O)NNC(=O)c1cccc2cccnc12	900441701	NAIVLDMRKRWICL-GXFFZTMASA-N	301.346	1.403	50	20	DDGD	
CC(C)N1CCN(CCCC(=O)NCCCSC#N)CC1	908032571	QEAJNEPAMSYDGS-UHFFFAOYSA-N	312.483	1.513	50	20	DDGD	
C[C@@H]1CCC[C@@H]2CCCN(C(=O)c3cc(B(O)O)ccc3F)[C@H]12	584933237	FPZWWJSAOBNWBI-XHBSWPGZSA-N	319.185	1.546	50	20	DDGD	
Cc1cccc(C)c1OC[C@@H](C)NCc1ccc(B(O)O)o1	585019752	QULKDZZTUCAWHU-CYBMUJFWSA-N	303.167	1.133	50	20	DDGD	
COCC1(C(=O)NNC(=O)CCc2ccccc2O)CCCC1	839663374	QMYRSKUWBFDSSK-UHFFFAOYSA-N	320.389	1.679	50	20	DDGD	
CCCN(C)CC(=O)NNC(=O)c1cccc2ncccc12	730286983	KYZUQAMQYLPYIX-UHFFFAOYSA-N	300.362	1.338	50	20	DDGD	
COc1cc(C(=O)NNc2nc[nH]n2)cc(OC)c1C(C)C	839769902	OKDUHQMNJCNVPY-UHFFFAOYSA-N	305.338	1.702	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)CCc2ccon2)c1	834663503	PZLMQJSOOCGVBK-UHFFFAOYSA-N	317.349	1.844	50	20	DDGD	
C=CCOc1cccc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)c1	730577570	WIDYXPUMDQYMOY-ZDUSSCGKSA-N	322.386	1.136	50	20	DDGD	
Cc1ccc(OCCCNCc2ccc(B(O)O)cc2F)cc1	585020963	NCUFPXAANCCWCO-UHFFFAOYSA-N	317.169	1.373	50	20	DDGD	
O=C(NCC[C@@H]1C[C@H]2CC[C@H]1O2)NNc1ccc(Cl)nn1	838752233	BRDQOXOBQUWHGJ-OPRDCNLKSA-N	311.773	1.714	50	20	DDGD	
Cc1ccc2c(c1)[C@H](NC(=O)c1cccc(B(O)O)c1)CCC2	584992933	TYIRJIHSVMTAFK-QGZVFWFLSA-N	309.174	1.482	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	837378644	ROURNZNWCQWAAM-YUTCNCBUSA-N	316.357	1.218	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H]2CCN(CC)C2=O)cc1	838585735	PQUNMSSZSDMSIZ-ZDUSSCGKSA-N	306.366	1.332	50	20	DDGD	
CC(C)N(C(=O)COc1ccc(B(O)O)cc1)C1CCCCC1	584910140	XADCCMYKIFTKPL-UHFFFAOYSA-N	319.210	1.315	50	20	DDGD	
O=C(O)CCCN1CCC(=NNC(=O)Cc2cccnc2)CC1	739672760	XQZYPBIEIJBBSU-UHFFFAOYSA-N	318.377	1.057	50	20	DDGD	
CCCn1cc(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)cn1	736501568	FPWNZJFYMURUBG-UHFFFAOYSA-N	324.348	1.237	50	20	DDGD	
C[C@H](CCc1ccc2c(c1)OCO2)NS(=O)(=O)CCl	830245868	WYUAZGACDWGGGC-SECBINFHSA-N	305.783	1.852	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H]2C[C@@H](OC(C)C)C2)n1	838747167	IGWMAIUXEUAUTC-TXEJJXNPSA-N	306.366	1.290	50	20	DDGD	
CC/C=C\CNC(=O)NNC(=O)Cn1ccc2ccccc21	836285208	GMBHMFBPPZDQOH-UTCJRWHESA-N	300.362	1.938	50	20	DDGD	
CC1(O)CCC(NC(=O)NNC(=O)c2cccc(C#N)c2)CC1	749603672	YMKGQWFDEQRWKQ-UHFFFAOYSA-N	316.361	1.196	50	20	DDGD	
CC(C)c1cccc(OCC(=O)NNC(=O)[C@H]2CCCCO2)c1	833256458	NUBXKKCFLKJMJQ-OAHLLOKOSA-N	320.389	1.905	50	20	DDGD	
O=C(NCCOC1CCCC1)NNC(=O)c1ccccc1F	918084855	NIWSCKZGUOMUBQ-UHFFFAOYSA-N	309.341	1.729	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc2[nH]ccc2n1)C1CC1	912160747	OGFSDILPZVMCHF-MRVPVSSYSA-N	303.391	1.470	50	20	DDGD	
O=C(NN=Cc1cnc(N2CCCC2)nc1)c1ccccc1F	914771940	DBPSDGYRHIJUSF-UHFFFAOYSA-N	313.336	1.980	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(C(C)C)n1	843650643	FTYXNYJRQJCOEX-MWLCHTKSSA-N	306.366	1.094	50	20	DDGD	
C[C@H](Cc1ccc(C#N)cc1)C(=O)NNC(=O)NCC1CC1	847390977	PIUSMFOMXAWBIS-LLVKDONJSA-N	300.362	1.477	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)CC(F)(F)F	918363934	FAKHOVSEWFHAEH-RDDDGLTNSA-N	318.251	1.315	50	20	DDGD	
CC(Cc1ccccc1C)=NNC(=O)[C@@H]1CCS(=O)(=O)C1	743433282	AKRXRUAHBBRUPA-CQSZACIVSA-N	308.403	1.464	50	20	DDGD	
Cc1ccncc1C(=O)NNC(=O)c1nnc(O)c2ccccc12	742034742	UYKMKIIWBPTMJN-UHFFFAOYSA-N	323.312	1.114	50	20	DDGD	
CS(=O)(=O)c1ccc(NC(=O)NNc2cccnn2)cc1	743807740	VECDKBQVSVZKKP-UHFFFAOYSA-N	307.335	1.029	50	20	DDGD	
O=C(NNc1cccc(Br)c1)c1cccc[n+]1[O-]	916981521	KVCCBVVFBLQJRC-UHFFFAOYSA-N	308.135	1.839	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2nnc(C3CC3)s2)n1	918543317	XOAFTBSFJBEJRN-UHFFFAOYSA-N	307.339	1.363	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)CCC(C)(F)F)cc1	916986622	BDROYVMSKRKEKB-UHFFFAOYSA-N	315.320	1.690	50	20	DDGD	
Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNC(=O)c1ccccc1O	746858200	BSKJMWKKYSEKNK-SECBINFHSA-N	316.361	1.307	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)oc2c1C(=O)CCC2	843646800	RFPCWXCTUAQESV-NXEZZACHSA-N	320.345	1.293	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)c2cccc(C#N)c2)CCS1	743590199	QUULIYOKWSGIQK-ZDUSSCGKSA-N	318.402	1.740	50	20	DDGD	
CC(=NNC(=O)c1cc(C)[nH]n1)c1ccc(O)c([N+](=O)[O-])c1	749625513	DAAPVHDBBPFTOY-UHFFFAOYSA-N	303.278	1.486	50	20	DDGD	
CN1CCC(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)CC1	746098626	WHDMROOZWVSVEF-UHFFFAOYSA-N	314.389	1.200	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@@H]2C[C@]23CCOC3)c1	843869729	BCTNGASPNYRFMK-BBRMVZONSA-N	318.377	1.650	50	20	DDGD	
O=C1CC[C@]2(C(=O)NNc3cccc([N+](=O)[O-])c3)SCCN12	748004891	VBLDBSSZLUHSIQ-CYBMUJFWSA-N	322.346	1.103	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)[C@H]1CCCS(=O)(=O)C1	845854291	AZBFLOBCDBXMFV-QMMMGPOBSA-N	304.318	1.233	50	20	DDGD	
C[C@H](Oc1cccc(C=NNC(=O)c2ccc[nH]2)c1)C(=O)O	746683034	QSMKOGJXCRDSHU-JTQLQIEISA-N	301.302	1.631	50	20	DDGD	
NC[C@@H]1CN(C(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)CCO1	846677058	JWZTWDDYXZCZEA-SBFPOUOMSA-N	317.227	1.126	50	20	DDGD	
Cc1cc(F)ccc1NC(=O)NN(C)C(=O)N1CCNCC1	841012222	BRPIATONEZCPCN-UHFFFAOYSA-N	309.345	1.128	50	20	DDGD	
N#Cc1ccc(F)c(CNC(=O)NNc2cncc(Cl)n2)c1	745892754	FZUJQCOXMCKLOA-UHFFFAOYSA-N	320.715	1.967	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)OC[C@@H]2CCC(=O)N2)c1	845084659	QAMAMMJQGYTNCR-WHGQRRHOSA-N	300.314	1.424	50	20	DDGD	
O=C(NCC1CNC1)NNC(=O)c1cc2c(s1)CCCCC2	841964635	KBSSHEKQXQSHOI-UHFFFAOYSA-N	322.434	1.180	50	20	DDGD	
O=C(CS[C@@H]1CCc2ccccc2C1)NNC(=O)C1CC1	849960824	ZNOSFPQQUKQQCB-CQSZACIVSA-N	304.415	1.835	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H](C)OCC(C)C	920807878	QFSQOQZSYZTODD-ZDUSSCGKSA-N	322.405	1.836	50	20	DDGD	
C[C@@H](CCc1ccccc1F)C(=O)NNC(=O)c1ncccn1	841350796	SUAMHAMPTUJPMM-NSHDSACASA-N	316.336	1.646	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H](C)Cc2ccc(F)cc2)n1	921024426	CBQKTLYTAYYNJC-SNVBAGLBSA-N	304.325	1.946	50	20	DDGD	
O=C(COC(F)(F)F)NNC(=O)Cc1ccc(Cl)cc1	929332139	DHQZRMOUJIMOMT-UHFFFAOYSA-N	310.659	1.566	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NN=Cc3cnnn3C)cc2C1	751133182	AYKSOSVXYARDTM-SECBINFHSA-N	303.391	1.765	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1ccc(F)c(F)c1F	755363719	IFNZSYBMQLUDJZ-UHFFFAOYSA-N	311.223	1.360	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)CCc1ccc(O)cc1)C1CC1	855098542	FJLUVDXODPCHNJ-JTQLQIEISA-N	307.419	1.619	50	20	DDGD	
C[C@@]1(CNC(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1Br	857399956	SVOARSOWFHHEAY-WPRPVWTQSA-N	317.143	1.081	50	20	DDGD	
CN(CCCCNC(=O)NNC(=O)c1cccc(F)n1)C1CC1	852378765	HNPJZACMSFKITE-UHFFFAOYSA-N	323.372	1.039	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2ncccc2F)n1	857153402	DMHFBXCRWMXKQX-UHFFFAOYSA-N	304.329	1.614	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)Nc2cccnc2O)cc(C#N)n1C	751398646	JQPRFFQGCSAWQZ-SDQBBNPISA-N	307.313	1.851	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)c1	858301492	ZCDANUNPUPONQJ-UTUOFQBUSA-N	323.418	1.958	50	20	DDGD	
COc1cccc(C2(NCC(=O)NNC(=O)C3CC3)CCC2)c1	852693171	GJJPUROVROBIAK-UHFFFAOYSA-N	317.389	1.221	50	20	DDGD	
C[C@@]1(CNC(=O)NCc2ccc(C#N)cn2)C[C@@H]1Br	856857497	CXLIRZUINFBGIA-AAEUAGOBSA-N	323.194	1.926	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNC(=O)CC(F)(F)F)c1cnn(C)c1	927412470	DZJWDHFOMWYIRA-SNVBAGLBSA-N	321.303	1.400	50	20	DDGD	
C[C@@H]1COC[C@@H]1NC(=O)NNC(=O)Nc1cc(F)cc(F)c1	926021391	WQQCIOSPEVLLCF-HQJQHLMTSA-N	314.292	1.335	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1)[C@@H]1CCC(=O)N1	858105636	KYXQVUGIRCWWEA-KCJUWKMLSA-N	309.753	1.016	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCc2cc(F)ccc21	850271464	XNWGGAMGOZLQEW-RNCFNFMXSA-N	322.336	1.345	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)CSC(F)(F)F	854279476	AHFLCNXMULLVHU-UHFFFAOYSA-N	319.374	1.113	50	20	DDGD	
Cc1nn(C)cc1[C@H](C)NC(=O)NNc1ncc(Cl)cn1	856863865	BIQSKESPIHGAFK-ZETCQYMHSA-N	309.761	1.559	50	20	DDGD	
CON=Cc1ccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)cc1	855102566	LENCRQOVUZQVJO-JTQLQIEISA-N	320.418	1.574	50	20	DDGD	
O=C(CCN1CCCCCC1)NN=C1CCCn2nccc21	853277444	PSFXIPZDROHIEY-UHFFFAOYSA-N	303.410	1.763	50	20	DDGD	
COc1cc(C)c(C(C)=NNC(=O)c2cc[nH]n2)cc1OC	853391922	APIMDZFHLDZLBX-UHFFFAOYSA-N	302.334	1.889	50	20	DDGD	
O=C1CSC[C@@H](C(=O)NNc2c(F)cccc2Cl)N1	935446538	RZFCPTMMZZSAOD-QMMMGPOBSA-N	303.746	1.154	50	20	DDGD	
CC(=O)NNC(=O)Cc1c[nH]c2cccc(Br)c12	754219589	LBVQSOORCNDBMB-UHFFFAOYSA-N	310.151	1.640	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc2cnn(C(C)C)c2c1	756269167	BLERHOMCLYXIBO-UHFFFAOYSA-N	305.338	1.416	50	20	DDGD	
O=C(NNC(=O)[C@@]1(c2ccccc2)CCCO1)NC1CCCC1	930964776	INFDIHDAYDSSAH-KRWDZBQOSA-N	317.389	1.965	50	20	DDGD	
Cc1cccc(CO[C@H](C)C(=O)NNC(=O)c2cnn(C)c2)c1	865936027	COGRLWSREDWRKD-GFCCVEGCSA-N	316.361	1.095	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)N1	862461985	NUGQNMGJUDPZNK-UMSGYPCISA-N	307.394	1.019	50	20	DDGD	
COc1ncc(NC(=O)NNC(C)=O)c(C)c1Br	932953245	WCBRRMQLCOSOKL-UHFFFAOYSA-N	317.143	1.334	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)NCC2CC2)CCOc2ccccc21	930734996	UQWOAZSKXMTFEM-MRXNPFEDSA-N	303.362	1.467	50	20	DDGD	
Cc1nc(N2CCN(C[C@H](C)CBr)CC2)n[nH]1	931628781	QSJORZKWEBYKCZ-SECBINFHSA-N	302.220	1.266	50	20	DDGD	
CCOC[C@H]1CN(C(=O)/C(C#N)=C\c2ccc(O)cc2)CCO1	862957101	KETGWRSDXUNSTF-IHWMJMDHSA-N	316.357	1.563	50	20	DDGD	
CC(Cc1ccc2c(c1)CCCC2)=NNC(=O)[C@@H]1CCC(=O)N1	863151257	JMWQNRXSXZMLPN-INIZCTEOSA-N	313.401	1.879	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc(Cl)n1	934205621	PVNNLVIKXAKING-WPRPVWTQSA-N	312.757	1.621	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](Br)C(C)(C)C	767994883	TVOFDRWPBBGRGG-MRVPVSSYSA-N	317.187	1.289	50	20	DDGD	
CC[C@]1(C(=O)N(C)NC(=O)OCc2ccccc2)CCNC1=O	869375948	MRVNHDIYMDIUHB-INIZCTEOSA-N	319.361	1.203	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCc2ccc(F)cn2)cc(C#N)n1C	764097298	LAVBVHNQQPWOEW-ACAGNQJTSA-N	323.331	1.963	50	20	DDGD	
C[C@@H](NNC(=O)Cc1ccc(-n2cccn2)cc1)C(F)(F)F	862310251	SNUMXCRSESKFIA-SNVBAGLBSA-N	312.295	1.986	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNc1nccc(N(CC)CC)n1	863896871	KEUYSGHMLIWORS-LBPRGKRZSA-N	309.414	1.971	50	20	DDGD	
C[C@H]1CCc2c(F)cccc2C1=NNC(=O)CS(C)(=O)=O	863189726	UOBZKHGJMOACDI-VIFPVBQESA-N	312.366	1.273	50	20	DDGD	
CCCCNC(=O)NNC(=O)CSc1ccccc1OC	761210630	YFVQMFPSWGGCRG-UHFFFAOYSA-N	311.407	1.918	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1ccc(F)c(Br)c1	1116198468	SJJKROPDANCSBP-UHFFFAOYSA-N	317.114	1.601	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCCc1nc2c(s1)CCCC2	765764212	SLAAIYSBRAMLHW-UHFFFAOYSA-N	310.423	1.551	50	20	DDGD	
CC[C@@H](C(=O)NNc1nc2ccccc2[nH]1)N1CCCC1=O	768505324	YQAHSGCGYBFNGM-LBPRGKRZSA-N	301.350	1.407	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCN2C(=O)CC[C@@H]2C1	768370089	SJZNVNZHXBVNAA-MWLCHTKSSA-N	317.227	1.629	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](C)[C@H](OC)c1ccc(F)cc1	875448280	PVANWZCUGNABME-CABZTGNLSA-N	313.329	1.814	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc(F)c1Cl)c1ncnn1C	875526471	TVTDOOFAWJEBNN-SSDOTTSWSA-N	312.736	1.995	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1)C1CCC1	874455048	BRTQPYKJNFJYEU-NSHDSACASA-N	316.279	1.686	50	20	DDGD	
N#Cc1ccc(NCC(=O)NNc2cc(Cl)ccn2)nc1	778453045	JLQREVYGVXZCHH-UHFFFAOYSA-N	302.725	1.557	50	20	DDGD	
Cc1ncc(C(=O)NNc2nc(O)c3ccccc3n2)c(C)n1	777523134	HQDXJCVBCUQNHS-UHFFFAOYSA-N	310.317	1.499	50	20	DDGD	
CS(=O)(=O)Cc1cccc(C(=O)NNc2ccccn2)c1	777469469	SFPVXMYRADVKLM-UHFFFAOYSA-N	305.359	1.383	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)/C=C2\SCC(=O)N2C)cc1	873798922	QMFLZPUIAQGUEK-ZSOIEALJSA-N	319.386	1.057	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1cccc(Cl)c1O	776232244	TUSUYKAVEKUOEO-UHFFFAOYSA-N	304.697	1.469	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cccn1[C@@H](C)C(=O)OC	774587858	GHNXFWUKZCJCLE-ZDUSSCGKSA-N	322.409	1.404	50	20	DDGD	
Cc1csc([C@H](C)NC(=O)NNC(=O)C2CCOCC2)n1	1119344887	CHGRPCUGKVOHHQ-VIFPVBQESA-N	312.395	1.270	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1	771185545	ITHDZMRBUKQTPJ-UHFFFAOYSA-N	318.293	1.850	50	20	DDGD	
CN(NC(=O)CCCc1cccc(Br)c1)C(N)=O	778412902	UYCUMYWWZYTREP-UHFFFAOYSA-N	314.183	1.814	50	20	DDGD	
CCC(C)(C)NC(=S)NNC(=O)c1c(C)nc2ccccn12	774138958	MZZKYYUQZGFULY-UHFFFAOYSA-N	319.434	1.940	50	20	DDGD	
C[S@](=O)c1cccc(NC(=O)C(=O)NNc2ccccc2)c1	775530186	VDJVSMPPBBCQSY-QFIPXVFZSA-N	317.370	1.506	50	20	DDGD	
O=C(CCc1cnc[nH]1)NNC(=O)c1ccc2ccccc2n1	788630619	LODZCIJFNLJTPX-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
CC[C@@H]1CCC[C@@H](C=NNC(=O)[C@H]2CCS(=O)(=O)C2)C1	783821823	PMWRQYHTKDEAQR-UPJWGTAASA-N	300.424	1.740	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2CCN(CC3CC3)C2)nc1	780991895	SKVNFBWEKXUXHG-GFCCVEGCSA-N	305.382	1.201	50	20	DDGD	
Cc1cnc(Cl)c(NC(=O)NNC(=O)c2cc(C)[nH]n2)c1	787457962	HRHSIQPVXYCMIK-UHFFFAOYSA-N	308.729	1.541	50	20	DDGD	
O=S(=O)(CBr)NCc1cccc2c1OCCO2	782433092	FIGPUQLJKHPNLP-UHFFFAOYSA-N	322.180	1.230	50	20	DDGD	
CCN(CCC(=O)NC)C(=O)NC[C@]1(C)C[C@@H]1Br	895922538	KAUDRBWGXSHRTH-CABZTGNLSA-N	320.231	1.328	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cccc(F)n2)cc1	793035317	UWOWFPJXATZIOT-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
N#C/C(=C\c1ccc(OCC(F)(F)F)c(F)c1)S(N)(=O)=O	799894079	NIBNKNYCRWQMSY-FPYGCLRLSA-N	324.255	1.920	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H](C)C[C@H]2CCOC2)n1	792995111	KRWXAIQHDGVKCY-NWDGAFQWSA-N	306.366	1.149	50	20	DDGD	
O=C(COC[C@H]1CCCO1)NNc1cccc(F)c1[N+](=O)[O-]	791076462	PYGTXSRJNAQMLX-SECBINFHSA-N	313.285	1.373	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	796538650	GQAOQAAFGWZLAF-MCIONIFRSA-N	316.467	1.695	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1cncc(OCC(F)F)c1	1319288602	CFRUHQIENZYTQX-UHFFFAOYSA-N	310.260	1.128	50	20	DDGD	
Nc1cnnc(NNC(=O)Cn2ccc3ccccc32)c1Cl	1319236613	KRDSSTQIPARQQN-UHFFFAOYSA-N	316.752	1.810	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@](C)(O)c1ccc(Cl)cc1	1324459292	HGUPBMMJNCYBLV-CYBMUJFWSA-N	315.826	1.451	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1cccc(O)c1	1248509287	JGKKOCBJQPSOPD-UHFFFAOYSA-N	300.318	1.069	50	20	DDGD	
O=C(NNC(=O)c1c(F)ccnc1F)c1n[nH]c2c1CCCC2	1326776475	FGYXYRUYMONZFT-UHFFFAOYSA-N	321.287	1.037	50	20	DDGD	
COc1cc2c(cc1OC)C(=NNC(=O)C[N+](C)(C)C)CC2	1321539748	CDIAJBFGPCXNRI-UHFFFAOYSA-O	306.386	1.177	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1	1325977588	YYORWGGFXRDCIT-QNSTZXKLSA-N	309.410	1.711	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCOC(C)(C)C2)cc1	1336801636	ODRSDYVTGJKMSN-CYBMUJFWSA-N	320.389	1.726	50	20	DDGD	
COC(=O)C(=O)NN=C(C)[C@@H]1CCCN1C(=O)OC(C)(C)C	1330311274	XHJGNKOCEZFHIW-JTQLQIEISA-N	313.354	1.051	50	20	DDGD	
COCCn1cc(CNC(=O)[C@]2(C)C[C@@H]2Br)cn1	1262172848	LLJWFKSCLFMMCV-CMPLNLGQSA-N	316.199	1.319	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]1F)Nc1ccc(OC(F)F)cc1	1346962448	RFBCILNENGIVCW-DTWKUNHWSA-N	303.240	1.799	50	20	DDGD	
O=C(CCO)NN=Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-]	1343573003	RWRFQLYQXDRTGS-UHFFFAOYSA-N	306.105	1.734	50	20	DDGD	
NC[C@@H]1CC[C@@H](NC(=O)NNC(=O)c2ccccc2Cl)C1	1345152740	DHKSFUJEOZHKHL-NXEZZACHSA-N	310.785	1.411	50	20	DDGD	
O=C(NCc1ccccc1)NNC(=O)[C@H]1CC[C@@H](C(=O)O)C1	1608471689	CZFDFQBVFLMTDW-NWDGAFQWSA-N	305.334	1.018	50	20	DDGD	
O=C(O)CCNC(=O)[C@@]1(c2ccccc2)C[C@@H]1Br	1602015632	BWVJVVIARGCEDJ-GXFFZTMASA-N	312.163	1.683	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)/C=C/c2ccc(C(=O)O)o2)n1	1600511949	LPQWNTKZLQWAJE-SOFGYWHQSA-N	315.285	1.156	50	20	DDGD	
O=C(O)C[C@@H](CNC(=O)NNc1ccc(Cl)nc1)C1CC1	1601891468	KOVGMMJZWTWYBO-VIFPVBQESA-N	312.757	1.862	50	20	DDGD	
NCC12CCC(CC1)N2C(=O)NNc1ccc(C(=O)O)cc1F	1601184486	JHYFZETXYMZXQO-UHFFFAOYSA-N	322.340	1.516	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@H]1CC=C(C(=O)O)C1	1600585016	HGBAVQPZNBCYCF-NSHDSACASA-N	318.333	1.504	50	20	DDGD	
CCCCCNC(=O)/C(C#N)=C/c1c(C(=O)O)nn(C)c1C	1609967022	WQJSYCSRRRDHEA-DHZHZOJOSA-N	304.350	1.640	50	20	DDGD	
O=C(NN=Cc1cc(O)cc(Cl)c1)[C@@H]1CN2CCC[C@H]2CO1	1550697628	VHPKJVBPJFWPJA-JSGCOSHPSA-N	323.780	1.359	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@]1(c2ccccc2)CCNC1	1575230912	KCMPFEVKBXNPLQ-INIZCTEOSA-N	305.378	1.474	50	20	DDGD	
CC(C)(N)CCC(=O)NNc1ncccc1Br	1575347313	OHIHYQPWEKQSNJ-UHFFFAOYSA-N	301.188	1.805	50	20	DDGD	
Cc1cc(C#N)ccc1C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1580768947	SNOBYMMKCYJYKP-UHFFFAOYSA-N	320.316	1.199	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cccn1C)C2	1845163677	LSFNIKCKAVGHRR-LBPRGKRZSA-N	323.824	1.860	50	20	DDGD	
C[C@H](CN)C(=O)N1CCCC12CN(C(=O)C(C)(C)CCl)C2	1842865844	GWOWFOWERHWPCU-LLVKDONJSA-N	315.845	1.050	50	20	DDGD	
NC[C@@]1(C(=O)NNc2nc(C(F)(F)F)cs2)CCCOC1	1580236180	UNRGSFBJUHBOSK-JTQLQIEISA-N	324.328	1.361	50	20	DDGD	
C=CCOCCCNC(=O)NNc1ccc(C(=O)O)cc1F	1588866958	UTGBKVVHFWIRLS-UHFFFAOYSA-N	311.313	1.743	50	20	DDGD	
COc1ccccc1C(=O)NN=Cc1cccn1[C@H](C)C(=O)O	1599697165	PDVJNQRBGMXEBA-LLVKDONJSA-N	315.329	1.906	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1cc(C(F)F)ncn1	1594780979	BLMDVXPHUADQJF-UHFFFAOYSA-N	309.232	1.264	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2ccc(-c3nn[nH]n3)s2)n1	1592220754	LDYQGAZQMFKPEC-UHFFFAOYSA-N	313.346	1.396	50	20	DDGD	
CCCCc1ccc(NC(=S)NNC(=O)CC(=O)O)cc1	1595797128	UHFVTBJEDAIOSA-UHFFFAOYSA-N	309.391	1.822	50	20	DDGD	
CCc1nc(C(=O)NNc2ccc(C(=O)O)cc2OC)no1	1597651183	WAFTURAZTWNGJW-UHFFFAOYSA-N	306.278	1.096	50	20	DDGD	
CCc1nc(C)c(C(=O)NNc2ccc(CC(=O)O)cc2)o1	1597656577	ADWGOAWYHUUDPY-UHFFFAOYSA-N	303.318	1.929	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)CCc1ccccn1	1599377092	JNERFPWLIQNWOJ-UHFFFAOYSA-N	315.329	1.864	50	20	DDGD	
COc1ccc(NC(=O)NNc2ccc(CC(=O)O)cc2)cn1	1599594125	MBRHIBBGDBNXSI-UHFFFAOYSA-N	316.317	1.866	50	20	DDGD	
CCn1c(NNC(=O)c2ccccn2)nc2ccccc2c1=O	11156101	ABNWWXZJDCLMEB-UHFFFAOYSA-N	309.329	1.568	50	20	DDGD	
CN1C(=C(C#N)C(=O)Cn2cnc(C#N)n2)N(C)c2ccccc21	14144044	YBCAPMSPWRKXRO-UHFFFAOYSA-N	319.328	1.040	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)Nc1ccnn1CC1CC1	160718168	YIDAOGGYQAVDRC-UHFFFAOYSA-N	315.333	1.465	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)COc1cccc(C)c1	152069893	JUAVUZBQRCFJBZ-UHFFFAOYSA-N	303.362	1.508	50	20	DDGD	
CCC(CC)n1ncc(C(=O)NNC(=O)c2ccc[nH]2)c1C	156122929	CHMOSDNBXRPUJF-UHFFFAOYSA-N	303.366	1.956	50	20	DDGD	
CC(C)COc1ccccc1NC(=O)NNC(=O)CN(C)C	155817973	RSQWEWCGBPXQGL-UHFFFAOYSA-N	308.382	1.436	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)C(=O)NC)cc1	155410370	SIRPUWSIHOOADJ-KWJWQAOWSA-N	301.346	1.243	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccccc1)Cc1ccccc1	120042555	LIJQDMRJDDHRPH-UHFFFAOYSA-N	311.385	1.970	50	20	DDGD	
Cn1cnnc1CNS(=O)(=O)c1ccc(CCCl)cc1	38008252	DIZBRWBJPLGMOD-UHFFFAOYSA-N	314.798	1.075	50	20	DDGD	
COC(=O)[C@H](C)CSCC(=O)NNC(=O)c1cccs1	78820479	ZXAUOLAVROUSDH-MRVPVSSYSA-N	316.404	1.051	50	20	DDGD	
COCCN1CCC[C@@H](NS(=O)(=O)CCCCCl)C1	399394785	POBGSUBENWXGRJ-GFCCVEGCSA-N	312.863	1.036	50	20	DDGD	
O=C(COc1ccccc1)NNC(=O)c1cccc([N+](=O)[O-])c1	485085	FOIOITZCZWNARS-UHFFFAOYSA-N	315.285	1.435	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1CCCCN1C(=O)CCC	106752655	YXALCABUXHESQY-LBPRGKRZSA-N	312.414	1.298	50	20	DDGD	
C[C@@H]([C@@H](C)NC(=O)NNc1cccc(C#N)c1)N1CCOCC1	105300270	XTLAHYFHEUXVIX-OLZOCXBDSA-N	317.393	1.294	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1ncnc2ccsc12	117549955	WAZXPCVCGPUHLB-SSDOTTSWSA-N	310.404	1.729	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1	175875892	SSMFKOGHSHZCGI-UHFFFAOYSA-N	301.302	1.637	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)c2ccncc2)o1	55527685	IKELSKQNAZPHHJ-UHFFFAOYSA-N	316.361	1.591	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)CC2CCCC2)C1	175212378	BQMTWDSXNMWFES-CHWSQXEVSA-N	310.394	1.694	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1ccc([N+](=O)[O-])s1	173946839	JKIFJTKRPSXUGZ-UHFFFAOYSA-N	305.279	1.080	50	20	DDGD	
O=C(CCCn1cncn1)NNC(=O)c1cccc2cccnc12	64663300	HNWMWHJVGLLPKK-UHFFFAOYSA-N	324.344	1.068	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2cnc(Cl)cn2)c1	178144718	LVEPEJMDQMCKRJ-UHFFFAOYSA-N	319.752	1.271	50	20	DDGD	
CN(C)c1nc2cc(NC(=O)NNc3ncccn3)ccc2o1	118943114	NSMRNBYQXFJVMS-UHFFFAOYSA-N	313.321	1.832	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NC[C@@H](Cc1ccccc1)N(C)C	28805542	RWOSFISBXDGEHX-ASNKMWSDSA-N	301.390	1.719	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNc1nc2ccccc2c(=O)n1CC	120606826	JRIOYHZFNHKDAP-INIZCTEOSA-N	318.377	1.411	50	20	DDGD	
O=C(NNS(=O)(=O)c1cc(F)ccc1F)c1ccccc1	20629172	JJPNHEYKHHTDIK-UHFFFAOYSA-N	312.297	1.588	50	20	DDGD	
O=C(NNc1ncccn1)Nc1ccn(Cc2ccncc2)n1	187255196	WSRUISLPJUURCK-UHFFFAOYSA-N	310.321	1.265	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)CCC2CCC2)nc2ccccc21	175722791	FTYNLEYOHZLQEP-UHFFFAOYSA-N	314.389	1.844	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	178005280	XNHLFEZNWVSBTI-LDYMZIIASA-N	320.374	1.324	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCC1(C2CC2)CC1	123960155	ZIVVSEZLNSEXQA-UHFFFAOYSA-N	317.389	1.758	50	20	DDGD	
CSC[C@H]1CCCN(S(=O)(=O)CBr)C1	308571569	KNAWZTBMMHNTSV-QMMMGPOBSA-N	302.259	1.744	50	20	DDGD	
Cn1c(=O)oc2cc(NC(=O)NNC(=O)CC(C)(C)C)ccc21	184891513	VRZURLVSCRZIKE-UHFFFAOYSA-N	320.349	1.720	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1C[C@@]12CCc1ccccc12	173363264	ZMSYVFAWAPFNTJ-XJKSGUPXSA-N	301.415	1.572	50	20	DDGD	
CC(C)CC(=O)N[C@H](C(=O)NNC(=O)N(C)C)c1ccccc1	170757740	CYERLKUOIDWKSR-AWEZNQCLSA-N	320.393	1.192	50	20	DDGD	
O=C(NCC1CC1)N/N=C1\C(O)=Nc2cc3c(cc21)OCCO3	64920914	VEVWWKPXECIWKM-UHFFFAOYSA-N	316.317	1.473	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc2ncsc2c1	124770144	NMPRKBDZVCEUDH-QMMMGPOBSA-N	320.374	1.428	50	20	DDGD	
C[C@@H](CC(=O)NNc1ncc(F)cn1)NC(=O)C1CCCC1	123127172	KMQAYPJDRIXVGD-VIFPVBQESA-N	309.345	1.144	50	20	DDGD	
Cc1nscc1C(=O)NNC(=O)COc1ccc(C#N)cc1	181711272	AHIXSKAGYCORFG-UHFFFAOYSA-N	316.342	1.163	50	20	DDGD	
CCOC(=O)[C@@H](Cc1ccccc1)NNC(=O)c1ccc[nH]1	187343249	IPUQTYMYXQHROM-CQSZACIVSA-N	301.346	1.424	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H]1CCCC[C@@H]1C(N)=O	185800512	YUBLHWRHAZDHPA-OGYKNIHVSA-N	313.357	1.459	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CC(C)(C)OC2(C)C)o1	181860396	QTQCZOGFKNOVQS-NSHDSACASA-N	309.366	1.878	50	20	DDGD	
CCCc1c(C(=O)NNc2cccnn2)[nH]c(C)c1C(=O)OC	77032885	MBVOPMQTEZXTDJ-UHFFFAOYSA-N	317.349	1.609	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)c2ccccc2)CC(C)(C)O1	187738329	LTYOTOGROFIODJ-UHFFFAOYSA-N	305.378	1.930	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NNC(=O)Cc1ccncc1	185883715	WUAKNVJFBSKDAX-GJZGRUSLSA-N	319.405	1.757	50	20	DDGD	
Cc1ccc(NNC(=O)Cn2c(=O)n(C)c3ccccc32)cc1	121854666	ZJRJTUBUWQJGKE-UHFFFAOYSA-N	310.357	1.792	50	20	DDGD	
CCCSCC(=O)NNC(=O)COc1ccccc1CC	79720947	ZJMSJJJHAAKXLU-UHFFFAOYSA-N	310.419	1.918	50	20	DDGD	
COc1nccnc1NNC(=O)Cc1cnn(-c2ccccc2)c1	184372069	IYITVHCKALZQPI-UHFFFAOYSA-N	324.344	1.357	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cccnc2N2CCCC2)n1	71417820	PGJTZEXCAHVQSS-UHFFFAOYSA-N	312.377	1.846	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2nc(-c3ccccc3)no2)CC1=O	76462956	VLVXROJRYLJMHF-NSHDSACASA-N	315.333	1.048	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccc(Cl)nc2)c1	77248566	LYLFZSDFXDMKKZ-UHFFFAOYSA-N	305.721	1.818	50	20	DDGD	
COc1cccc(NNC(=O)c2cccc(CN(C)C)c2)n1	180732423	OAPPEJHTPQVYTN-UHFFFAOYSA-N	300.362	1.909	50	20	DDGD	
O=C(CO)NNC(=O)c1cc(C2CC2)nc2ccc(F)cc12	180946570	JNGBMXPMQKXWDJ-UHFFFAOYSA-N	303.293	1.005	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1ccncc1)c1cccc(F)c1	134470599	NWVNOYSIFWVFBL-UHFFFAOYSA-N	301.321	1.960	50	20	DDGD	
COc1csc(C(=O)NNC(=O)Cc2ccccc2OC)c1	80067046	KKBYMKXKGCPFBE-UHFFFAOYSA-N	320.370	1.769	50	20	DDGD	
O=C(C[C@H]1CCCOC1)NNC(=O)Cn1ccc2ccccc21	193171848	PCJBKBJAXQXQQM-CYBMUJFWSA-N	315.373	1.605	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)COc1cc(C)ccc1C	132068057	IYRZBRDLEOVYNA-ZDUSSCGKSA-N	308.378	1.645	50	20	DDGD	
CNC(=O)c1ccc(CNC(=O)NNC(=O)OC(C)(C)C)cc1	45841394	NVGDBDQUQAKNOP-UHFFFAOYSA-N	322.365	1.285	50	20	DDGD	
C[C@H]1CCCN(CCNC(=O)NNC(=O)c2ccccc2F)C1	46381696	FMIGBRNPVVEGFJ-LBPRGKRZSA-N	322.384	1.502	50	20	DDGD	
CCS(=O)(=O)c1ccccc1C(=O)NNC(=O)C(C)(C)C	130817095	QQAIIHQSVDZUIT-UHFFFAOYSA-N	312.391	1.287	50	20	DDGD	
CCCc1ccc(NC(=O)C(=O)NNc2cc(C)ncn2)cc1	190137524	VHIIPMDPBDXUMA-UHFFFAOYSA-N	313.361	1.819	50	20	DDGD	
O=C(NNC(=O)C1(c2cccc(Cl)c2)CC1)[C@@H]1CCCO1	42968723	CSIVTESIWYZFGM-LBPRGKRZSA-N	308.765	1.698	50	20	DDGD	
CC(=O)NNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1	192809353	PJPZUVVIJLLUSP-UHFFFAOYSA-N	319.748	1.331	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccncc1F	130686786	NHJWKFRTYTZIII-UHFFFAOYSA-N	312.304	1.706	50	20	DDGD	
C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NNC(=O)c3ccccc3)CN2C1	1350795408	YILLNBPFLBFBLF-YUELXQCFSA-N	301.390	1.568	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2ccc3[nH]c(C)cc3c2)ncn1	190141075	RUZSETRVKYVPLT-UHFFFAOYSA-N	324.344	1.657	50	20	DDGD	
CC(=O)NNC(=O)Nc1cc(C(=O)NCC2CC2)ccc1C	190552451	OZEXDLXUFFOQEG-UHFFFAOYSA-N	304.350	1.307	50	20	DDGD	
COc1cc(C)nc(NNC(=O)/C=C\c2cncc(F)c2)n1	255508081	VNUSCTOIAPHNBQ-ARJAWSKDSA-N	303.297	1.484	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CNC(=O)c1cccs1)C(C)(C)C	265345364	YHVAASLOQUDACD-SECBINFHSA-N	311.407	1.308	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@@H](CC(C)C)NC(=O)OCC	269452701	DDGJDPLWOIBKCW-RSKUSDAESA-N	311.382	1.707	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc[nH]2)cc1	267582052	LPMVHWZTUAYKCH-NSHDSACASA-N	317.345	1.642	50	20	DDGD	
C[C@@H](CCN(C)C)NC(=O)NNc1ncnc2ccsc12	268863353	IIFPZIMUENVBBE-VIFPVBQESA-N	308.411	1.658	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cc(Cl)nc(N2CCCC2)c1	264922870	TUPZIKORRZPLPB-UHFFFAOYSA-N	322.796	1.896	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CCOc1ccc(C(N)=O)cc1	267138341	JIDOSCWCJMEWQS-UHFFFAOYSA-N	323.349	1.110	50	20	DDGD	
CCC(O)(CC)CCNC(=O)NNC(=O)c1ccc(C#N)cc1	276226144	GOWVJGNATWRCIX-UHFFFAOYSA-N	318.377	1.443	50	20	DDGD	
C[C@H]1CCCN(C(=O)C(=O)NNc2ccc([N+](=O)[O-])cc2)C1	278529529	YYFUTBNWGRBEKO-JTQLQIEISA-N	306.322	1.296	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C[C@@H]2CCC[C@H](OC)C2)n1	279789089	FZWKVUVIWRAIPA-NEPJUHHUSA-N	308.382	1.832	50	20	DDGD	
CCOc1cc(F)ccc1NC(=O)C(=O)NNC(=O)CC1CC1	274049415	IGIKJFIQFYSBQX-UHFFFAOYSA-N	323.324	1.110	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)CCC(F)(F)F)c1	272003539	IHEUGLWHHUQJJH-UHFFFAOYSA-N	310.297	1.876	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@H]1CCCN1C1CCCC1	276686611	DSRYEGSFPAFSOX-CYBMUJFWSA-N	314.393	1.579	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C[C@@H]2CCC(=O)[C@H]2C)c1	279612972	JKIIRLXQCHXNFU-STQMWFEESA-N	318.373	1.527	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CC2CCCC2)c(C)n1	274100877	WSZQMUIMRSZZBU-UHFFFAOYSA-N	318.377	1.365	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](O)CCc2ccccc2)o1	271073029	YTWCDDDUTCMIOR-CYBMUJFWSA-N	302.330	1.343	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccnn1)[C@@H]1OCCc2sccc21	377398259	JLOJNBFIBJDKOJ-RNCFNFMXSA-N	319.390	1.867	50	20	DDGD	
O=C(NNc1ncccn1)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	372272141	DKBZGQLEFUQPAI-HXFLIBJXSA-N	302.256	1.276	50	20	DDGD	
COCCC(C)(C)CNC(=O)NNC(=O)c1ccccc1O	274253379	TXBGJNYVZFTGMP-UHFFFAOYSA-N	309.366	1.399	50	20	DDGD	
COCCC[C@H](C)C(=O)NNC(=O)COc1ccccc1OC	272090876	IOWRYUVXDDQQDS-LBPRGKRZSA-N	324.377	1.284	50	20	DDGD	
C=C(CBr)CN1CCN(c2nccnc2C)CC1	374137861	KHHPXPUKGRLNCB-UHFFFAOYSA-N	311.227	1.858	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@](C)(O)C2CC2)c(Cl)c1	287588299	DYPCOWBYPMBNDA-CQSZACIVSA-N	311.769	1.962	50	20	DDGD	
O=C(NNc1cccc(F)n1)C1CCN(CC(F)F)CC1	286576680	MPDHTPQLSGPLKA-UHFFFAOYSA-N	302.300	1.641	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)c1	282638212	KGEGMMNXQSBJTE-UHIISALHSA-N	317.414	1.799	50	20	DDGD	
O=C(C[C@@H]1CCCC(=O)N1)NNC(=O)c1cccc(Cl)c1	288080956	HTIBERRUYVSNHS-NSHDSACASA-N	309.753	1.160	50	20	DDGD	
COc1nccnc1NNC(=O)N[C@H](C1CC1)C(F)(F)F	288953064	XICCWWHUBCBBKF-SSDOTTSWSA-N	305.260	1.452	50	20	DDGD	
CC(C)NC(=O)N1CCC[C@H]1C(=O)NNc1ncccc1F	286169172	ZQXOAQVOOOMSOG-NSHDSACASA-N	309.345	1.246	50	20	DDGD	
COCCN(C)NC(=O)COc1ccc(CCC(C)=O)cc1	288641416	XMDXFZKKCOFIRO-UHFFFAOYSA-N	308.378	1.196	50	20	DDGD	
CCC1(CNC(=O)NNc2ccc(-n3ccnc3)nn2)CC1	286622441	JBWZOURFGBSZOE-UHFFFAOYSA-N	301.354	1.479	50	20	DDGD	
C[C@@](O)(CCc1ccccc1)C(=O)NNC(=O)[C@@H]1CCCCO1	295562514	AAUVZFYQSZZJPW-WMLDXEAASA-N	320.389	1.087	50	20	DDGD	
CN1C(=O)c2ccc(C(=O)NNc3ncccc3F)cc2C1=O	804211094	FHJKEZBTDHVHAB-UHFFFAOYSA-N	314.276	1.203	50	20	DDGD	
O=C(Cc1ccc(Cl)cn1)NNc1ncccc1[N+](=O)[O-]	807061609	VCCGWBFJJYQIGH-UHFFFAOYSA-N	307.697	1.724	50	20	DDGD	
COCC1(CCNC(=O)NNC(=O)c2ccccc2F)CCC1	296799871	IPJZDVZDIVHWOT-UHFFFAOYSA-N	323.368	1.977	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(Cl)c2c(c1)OCCO2	804124269	JHVFZLRYSXNBLW-UHFFFAOYSA-N	300.698	1.454	50	20	DDGD	
COCCCONC(=O)NNc1ncnc(Cl)c1C(C)C	298581755	LKUHXCCHUFPWCZ-UHFFFAOYSA-N	317.777	1.848	50	20	DDGD	
O=C(CNc1ccccc1[N+](=O)[O-])NNc1cccc(F)n1	804770160	XVBNMGXUXJKQDH-UHFFFAOYSA-N	305.269	1.684	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CC1CC1)n1ccc2ccccc2c1=O	294115530	KCAZLXJBMFEJHS-LLVKDONJSA-N	313.357	1.510	50	20	DDGD	
CO[C@H](CNC(=O)NNc1ccc(C)nn1)Cc1ccccc1	296577622	FCZJHJHPRJXQOH-AWEZNQCLSA-N	315.377	1.669	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN(C)C1CCCC1	297854543	LMJWXQLYCCRSCD-UHFFFAOYSA-N	303.406	1.559	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)CCc2cc(F)ccc2F)O1	294363013	VKXKTHJTUACSMK-ZANVPECISA-N	312.316	1.612	50	20	DDGD	
CN(C)Cc1ccsc1C(=O)NNC(=O)N=c1cc[nH]cc1	802027098	RBUWGZZQJHVPGO-UHFFFAOYSA-N	319.390	1.093	50	20	DDGD	
COc1ccnc(NNC(=O)NCCc2scnc2C)n1	297683896	XESJZEZLILNWIE-UHFFFAOYSA-N	308.367	1.119	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cnnc(-c2ccccc2)c1	292062460	CRMSSRHMYGSRLW-AWEZNQCLSA-N	312.329	1.084	50	20	DDGD	
C[C@@H]1CSC[C@H]1NC(=O)NNC(=O)c1c[nH]c2ccccc12	805788202	BRIVTBVRZXGEEG-NOZJJQNGSA-N	318.402	1.863	50	20	DDGD	
O=C(NNC(=O)c1cccc(OC[C@H]2CCCO2)c1)NC1CC1	299229130	FBAKUNQFDLKLKX-CQSZACIVSA-N	319.361	1.351	50	20	DDGD	
O=C(C[C@H]1OC(=O)c2ccccc21)NNC(=O)[C@H]1CCCCO1	295627089	SAQKTILZTDLFCE-CHWSQXEVSA-N	318.329	1.005	50	20	DDGD	
O=C(C[C@H]1OCCc2ccccc21)NNc1ncncc1F	294120905	STROGPSPCDCKIW-CYBMUJFWSA-N	302.309	1.763	50	20	DDGD	
O=C(NNC(=O)[C@@H](F)C(F)(F)F)c1c[nH]c2ccccc12	809983196	FPXYENNECOUUSR-SECBINFHSA-N	303.215	1.829	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)c2ccccc2O)o1	295184111	NDNXYDVGKSDWAL-UHFFFAOYSA-N	303.318	1.716	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)[C@H](C)O)cc1OC	294320481	JXKKYFXVAIETRC-JTQLQIEISA-N	310.350	1.016	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)c1ncoc1C	299188596	GZWHGFUNVAGGRR-UHFFFAOYSA-N	319.317	1.222	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@H]1C[C@H](c2ccccc2)C1	296853558	LDEVGVHULRQZFR-KKUMJFAQSA-N	317.389	1.832	50	20	DDGD	
COc1ccc(OCC(=O)NN=C(C)C[C@H]2CCC(=O)N2)cc1	811630231	DHSZUKJCCNLCIB-GFCCVEGCSA-N	319.361	1.235	50	20	DDGD	
Cc1nnc(NNC(=O)c2ccc3c(c2)C(C)(C)CO3)nc1O	810006783	PTAGTJZTCHBDBF-UHFFFAOYSA-N	315.333	1.313	50	20	DDGD	
Cn1nncc1NNC(=O)c1csc(Cc2ccccc2)n1	816771540	QTAVRAOFDVXFFU-UHFFFAOYSA-N	314.374	1.619	50	20	DDGD	
CN(NC(=O)c1ccc(CN2CCC(CO)CC2)cc1)C1CC1	819647513	OFDHEEOKKFWWCB-UHFFFAOYSA-N	317.433	1.630	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=S)NC1CCC1	814191592	MCNKJEIVUJVLKH-UHFFFAOYSA-N	303.391	1.084	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@]2(C)CC2(F)F)cc1OC	817421781	LHGSKXLWOUPDKD-CYBMUJFWSA-N	314.288	1.510	50	20	DDGD	
O=C(NC[C@H]1Cc2ccccc2O1)NNc1ncncc1F	814277260	BAEIMAUDOWYVJG-SNVBAGLBSA-N	303.297	1.246	50	20	DDGD	
CC(=NNC(=O)CC1CC1)c1ccc(S(=O)(=O)N(C)C)cc1	814990249	JFQAQJNPLNKOKU-UHFFFAOYSA-N	323.418	1.577	50	20	DDGD	
O=C1O[C@H](C(=O)NNc2cccc(Cl)n2)Cc2ccccc21	817004289	XNWRTILMJKCING-NSHDSACASA-N	317.732	1.960	50	20	DDGD	
CC(C)(C)C(=O)NN=Cc1c[nH]c2ccc(-c3nn[nH]n3)cc12	819899327	RNXKNQNIDAEFAY-UHFFFAOYSA-N	311.349	1.844	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1ccc2oncc2c1	814827126	VVRZVLUHYBMQSX-UHFFFAOYSA-N	312.285	1.301	50	20	DDGD	
O=C(NNc1c(F)cccc1F)c1c[nH]c(-c2nn[nH]n2)c1	826445059	FKFYFHQCDMKDFJ-UHFFFAOYSA-N	305.248	1.230	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@H]1CCCCN1Cc1ccccc1	823952636	SQZDYQUESKUHSO-GOEBONIOSA-N	305.422	1.385	50	20	DDGD	
CN(C)CC(=O)NN=Cc1cnn(-c2ccc(Cl)cc2)c1	727648023	RTIYUDGSCDRPQX-UHFFFAOYSA-N	305.769	1.537	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@]1(C)CCNC1=O	823610337	MDGSENDJWOFWQN-CYBMUJFWSA-N	311.773	1.223	50	20	DDGD	
CCCN(NC(=O)CCCCNC(N)=O)C(=O)OC(C)(C)C	495827451	NVHQUKBTSUDWSW-UHFFFAOYSA-N	316.402	1.503	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc3ccccc23)CO1	826070464	XDCUDMRBUXHDKB-DGCLKSJQSA-N	313.357	1.961	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2CCC[C@H]2c2ccccc2)cn1	825909614	CVHMXOLGGMPHSB-LSDHHAIUSA-N	312.373	1.765	50	20	DDGD	
COC(=O)N(C)NC(=O)c1c[nH]c2c(F)cc(F)cc2c1=O	495627780	YRSDIDPUVMARCO-UHFFFAOYSA-N	311.244	1.149	50	20	DDGD	
CC(=NNC(=O)CCNC(=O)OC(C)(C)C)c1cc(C)n(C)n1	497310216	CHTVGHBBUBQBQY-UHFFFAOYSA-N	323.397	1.484	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(Oc2ccc(F)cc2)nc1	823906788	CIMLEYQPVBTPCY-LLVKDONJSA-N	319.336	1.970	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(F)ccc1Br	495693592	QEGPCNCKKQNNPT-UHFFFAOYSA-N	305.103	1.931	50	20	DDGD	
CCSc1cc(CNCc2ccccc2B(O)O)ccn1	585036357	FKTXNXPAEYAVOO-UHFFFAOYSA-N	302.208	1.163	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(OCC(C)C)c(OC)c1	823833638	FCTANBFBCQPJMQ-UHFFFAOYSA-N	310.394	1.689	50	20	DDGD	
CCCNC(=O)NN=Cc1c[nH]c2ccc(-c3nn[nH]n3)cc12	821113893	HDFGHLJGQBJVPA-UHFFFAOYSA-N	312.337	1.391	50	20	DDGD	
CO[C@@H]1COC[C@H]1NC(=O)NNc1cc(C(F)(F)F)ccn1	827474477	ZRKRQSREBQNREM-RKDXNWHRSA-N	320.271	1.140	50	20	DDGD	
CCN(CCO)NC(=O)c1cnn(-c2ccccc2Cl)c1	823856034	KXOABYKDJKBSEG-UHFFFAOYSA-N	308.769	1.485	50	20	DDGD	
OCC[C@H](NCc1ccc(B(O)O)cc1)c1ccc(Cl)cc1	585040409	KCPYTPCHEBUHOF-INIZCTEOSA-N	319.597	1.233	50	20	DDGD	
C[C@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)c2ccccc21	584973910	DTBMEZJGXVOUMQ-ZDUSSCGKSA-N	309.174	1.911	50	20	DDGD	
O=C1CC(C(=O)NN(Cc2ccccc2)c2ccccc2)=NN1	731870420	YONFNKPRNMXWIR-UHFFFAOYSA-N	308.341	1.600	50	20	DDGD	
CCN(CC)c1ccc(C=NNC(=O)C(=O)NC(C)C)cc1F	739412436	AZWFAIHIHFSOIZ-UHFFFAOYSA-N	322.384	1.647	50	20	DDGD	
COCCOCCCCNC(=O)[C@]1(C)C[C@H]1Br	906485233	MLURPUXAEXESEL-ZYHUDNBSSA-N	308.216	1.719	50	20	DDGD	
OB(O)c1ccc(-c2noc([C@@H]3CCC[C@H]3C(F)F)n2)cc1	585053091	BBFXKGUUAHWRNH-GHMZBOCLSA-N	308.093	1.565	50	20	DDGD	
CC(C)N1CC(=NNC(=O)CNC(=O)OC(C)(C)C)[C@@H](C)C1	494625824	WGLJCYMNBJGPCU-NSHDSACASA-N	312.414	1.343	50	20	DDGD	
CCc1cc(C(=O)NNc2ccccc2S(C)(=O)=O)n[nH]1	732303631	CNAILMXPSVGADR-UHFFFAOYSA-N	308.363	1.133	50	20	DDGD	
C[C@@H](C[C@H]1CCOC1)NC(=O)NNc1ncc(F)cc1F	838516770	QMTUQWNYULMGCR-DTWKUNHWSA-N	300.309	1.801	50	20	DDGD	
N#Cc1ccc(S(=O)(=O)NNC(=O)C2CCCC2)c(F)c1	739671066	SLRHGOZVBSLUOM-UHFFFAOYSA-N	311.338	1.197	50	20	DDGD	
C[C@@H](Cc1cccs1)NC(=O)NNC(=O)[C@@H]1CCCCO1	836215716	DURSFXDEQCOWMX-JQWIXIFHSA-N	311.407	1.579	50	20	DDGD	
CON1CCC(=NNC(=O)CNc2ccc(C)cc2C)CC1	834931666	PFFQPIHLLALOKP-UHFFFAOYSA-N	304.394	1.845	50	20	DDGD	
CCOc1cc(CNCc2ccccc2B(O)O)ccc1OC	585024022	SBZGBTPOWXLNCM-UHFFFAOYSA-N	315.178	1.064	50	20	DDGD	
C[C@@H](CC(=O)NNc1cc(C#N)cc(Cl)n1)c1cnn(C)c1	839718870	XQGBILNSKWIFEB-VIFPVBQESA-N	318.768	1.977	50	20	DDGD	
CC(C)(C)C(=O)Nc1ccccc1C(=O)N1CC[C@H](B(O)O)C1	585072414	MUGJPHNCANWLMJ-NSHDSACASA-N	318.182	1.360	50	20	DDGD	
C[C@H](C(=O)O)n1cccc1C=NNC(=O)Cc1ccsc1	833407096	QQWNDHSCFODLON-SNVBAGLBSA-N	305.359	1.888	50	20	DDGD	
CCO[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccccc1	836206054	YWLCJLUGOJIYSO-ZIAGYGMSSA-N	305.378	1.978	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H](C)C(C)C)cc1	733581474	ZTKIJZHRDOLZHE-GFCCVEGCSA-N	306.362	1.591	50	20	DDGD	
O=C(CCc1cn[nH]c1)NNC(=S)NCCc1cccs1	900051179	QCXVMMRSNJBACY-UHFFFAOYSA-N	323.447	1.142	50	20	DDGD	
CCc1onc(C)c1C=NNC(=O)c1ccnc(N(C)C)c1	901184467	BTJPENMTBZGPOJ-UHFFFAOYSA-N	301.350	1.770	50	20	DDGD	
CON1CCC(=NNC(=O)c2cc(-c3ccccc3)[nH]n2)CC1	834920669	MWSJNRBYWPWFSP-UHFFFAOYSA-N	313.361	1.820	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1cc(OC)ccc1C(=O)OC	731493849	NKTIYMYCBUBAIR-KTKRTIGZSA-N	304.302	1.864	50	20	DDGD	
C[C@H](COc1ccc(F)cc1F)NCc1ccccc1B(O)O	585018460	LXHAFKKELJZVID-LLVKDONJSA-N	321.132	1.202	50	20	DDGD	
Cc1ccsc1CCCC(=O)Nc1cccc(B(O)O)c1	584913413	VUDOMUUYLVGRNJ-UHFFFAOYSA-N	303.192	1.698	50	20	DDGD	
C=C(C)CN(CC)C(=O)COC(=O)/C(C#N)=C\c1cnn(C)c1	837968558	DYYLUYVFKDBKBE-NSIKDUERSA-N	316.361	1.295	50	20	DDGD	
O=C(COCc1ccccc1)NN=Cc1ccc(C(=O)O)o1	739321779	KAYDUZATRYBZJD-UHFFFAOYSA-N	302.286	1.645	50	20	DDGD	
C[C@@H]1[C@H](C(=O)Nc2cccc(B(O)O)c2)CCN1c1ccccc1	584912101	CHBQIVBQKHOPME-CXAGYDPISA-N	324.189	1.220	50	20	DDGD	
CN1CCCC[C@@H]1C(=O)NNC(=O)C(C)(C)c1ccccc1	732290287	MNUWJRFDMOYDIP-CQSZACIVSA-N	303.406	1.596	50	20	DDGD	
CC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1	912693861	PRHBXSVNKGCUJG-UHFFFAOYSA-N	321.340	1.715	50	20	DDGD	
CC(F)(F)CCC(=O)NNC(=O)CCc1ccccc1O	730032947	OTIKLKJIUWKPNG-UHFFFAOYSA-N	300.305	1.908	50	20	DDGD	
CC(C)(CC(=O)O)CC(=O)NNc1nc(-c2cccnc2)no1	833455650	MORSTACBBNNURS-UHFFFAOYSA-N	319.321	1.466	50	20	DDGD	
COc1ccc(O)c(S(=O)(=O)NCCCSC#N)c1	916999838	NSDGPVUJBOXJSZ-UHFFFAOYSA-N	302.377	1.283	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@H]2C[C@H]3CC[C@H]2O3)c1	836781422	KJRGONDMJIYGEY-MRVWCRGKSA-N	304.346	1.874	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNC(=O)c1ccccc1OC	839675410	XRSUYDOYFNDODS-JTQLQIEISA-N	308.334	1.046	50	20	DDGD	
CCO[C@@H]1C[C@H](NS(=O)(=O)CCl)[C@@H]1Oc1ccccc1	831139756	FMYFSYHBTOYFKR-XQQFMLRXSA-N	319.810	1.727	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNC(=O)c1cc2ccccc2o1	839701757	QJSXQJNLGMEOLD-LLVKDONJSA-N	317.345	1.341	50	20	DDGD	
CC(C)Oc1cc(NC(=O)NNC(=O)[C@H]2CCCCO2)ccn1	836546061	FEUHQJMQSHUACH-GFCCVEGCSA-N	322.365	1.591	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccc3ncsc3c2)n1	740117915	OFJURQMSKRBCIU-UHFFFAOYSA-N	314.374	1.909	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)c2ccnn2C(C)C)cc1	846373744	CTRHRZNMBJYUBL-UHFFFAOYSA-N	316.361	1.936	50	20	DDGD	
CCC(CC)(CO)C(=O)NNC(=O)c1ccc2ccccc2n1	847280757	GUVARWWVZKIBHY-UHFFFAOYSA-N	315.373	1.795	50	20	DDGD	
CCOCc1cc(C=NNC(=O)NCCCOC)ccc1OC	747610338	BLMNHDYTMWEVAT-UHFFFAOYSA-N	323.393	1.901	50	20	DDGD	
O=C(NCc1nc(C2CC2)no1)NNc1ccc(Cl)nc1	745805323	RSBUJEWCKNWXFB-UHFFFAOYSA-N	308.729	1.822	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N2CCOCC2)c2ccccc12	840299638	WSDKFOUVTYINAE-UHFFFAOYSA-N	313.357	1.835	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H](C(=O)OC(C)(C)C)C(C)C	843777130	BPVWTJQAANESBN-LLVKDONJSA-N	315.414	1.731	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCc1ccc(OC(F)(F)F)cc1	910166404	WNBRPCRBZLWBDM-SNVBAGLBSA-N	320.311	1.862	50	20	DDGD	
COc1ccc(Cl)cc1CC(=O)NNc1nccn(C)c1=O	747942176	YQMHTEKXQQJBFT-UHFFFAOYSA-N	322.752	1.128	50	20	DDGD	
CCOC(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc21	916267839	LIXSBQICYIXCID-UHFFFAOYSA-N	300.311	1.453	50	20	DDGD	
C[C@H]1CCCC[C@H]1NC(=S)NNC(=O)NCC(F)(F)F	917597254	IXKIDSIBVIUGNU-JGVFFNPUSA-N	312.361	1.806	50	20	DDGD	
O=C(CSCc1cscn1)NNC(=O)c1ccccc1O	746820449	HLQGDHSBUHRNQU-UHFFFAOYSA-N	323.399	1.543	50	20	DDGD	
COc1ccc(Br)c(C(=O)NN=C(C)CCO)c1	749855392	LTYVPWHNXHXCEH-UHFFFAOYSA-N	315.167	1.946	50	20	DDGD	
CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1Br	740076397	YSZDBTJIFPUBGZ-UHFFFAOYSA-N	302.084	1.138	50	20	DDGD	
C[C@@H]1CC(C)(C)CCC1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	748249063	QCKYGCYABBZVGG-GHMZBOCLSA-N	315.439	1.675	50	20	DDGD	
Cc1nn2c(=O)c3ccccc3[nH]c2c1C=NNC(=O)C(C)C	918710386	LUQSYIACSDQMGP-UHFFFAOYSA-N	311.345	1.590	50	20	DDGD	
C[C@@H](CC1CCCCC1)NC(=O)NNC(=O)c1ncccn1	841585616	CRAIRTIECYRELJ-NSHDSACASA-N	305.382	1.780	50	20	DDGD	
COc1ccccc1C(C)(C)C(=O)NNC(=O)c1cccnc1	746819970	NUDPQOQKWDLVDI-UHFFFAOYSA-N	313.357	1.829	50	20	DDGD	
O=C(NNc1ccccc1F)C1(n2cnnn2)CCCCC1	845855382	QXTPHNSFCVVFHS-UHFFFAOYSA-N	304.329	1.615	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)c2ccn(C)n2)cc1OC	841605923	YBCFKMNPKCIIDB-UHFFFAOYSA-N	302.334	1.591	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCc1ccc2[nH]ccc2c1	843662673	SDIPXKHUOAFRGL-BXUZGUMPSA-N	315.373	1.673	50	20	DDGD	
Cn1c(NNC(=O)[C@H]2CCC[C@H](C(N)=O)C2)nc2ccccc21	848380411	FIPHURUJABNMRS-QWRGUYRKSA-N	315.377	1.308	50	20	DDGD	
CN[C@@H]1CCN(S(=O)(=O)c2ccc(CCCCl)cc2)C1	842683460	LEHXQMSRIUDSKJ-CYBMUJFWSA-N	316.854	1.840	50	20	DDGD	
CC(=O)NCC(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846380040	SFSJXOPPEVGWDB-UHFFFAOYSA-N	309.675	1.938	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C(=O)N1CCCC1)c1ccc(Cl)cc1	845353754	FVCMKQXBOQGODD-JTQLQIEISA-N	323.780	1.213	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@](C)(C(=O)O)c1ccccc1	846128731	SJTCKBKCKHPYDS-INIZCTEOSA-N	321.377	1.405	50	20	DDGD	
Cc1csc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1C#N	847185948	PUEXVTIPFAGADH-IUCAKERBSA-N	308.363	1.506	50	20	DDGD	
O=C(NNc1ncncc1F)[C@@H](C[C@H]1CCCO1)C(F)(F)F	846212922	ABBJIIAATOBZEI-HTQZYQBOSA-N	322.262	1.806	50	20	DDGD	
O=C(NN=C1CSCc2ccccc21)C(=O)N1CCCC1	748136119	BYRLTYLISUGIOO-UHFFFAOYSA-N	303.387	1.376	50	20	DDGD	
COc1ccnc(NNC(=O)c2cnc(NC3CC3)s2)n1	748024397	LTRBUMBJLMIGCF-UHFFFAOYSA-N	306.351	1.273	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@H]1Cc2cccc(O)c2C1	758172664	ANOWTOJHKLHYBN-NSHDSACASA-N	303.811	1.798	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1cc(C(F)(F)F)nn1C	853000559	DNQOUQOLIHAZSM-TWGQIWQCSA-N	316.283	1.499	50	20	DDGD	
C/C=C/C=C\C(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1	754122511	IOHFEIVDBNTCOG-HOJFPOIOSA-N	322.748	1.777	50	20	DDGD	
CC(C)C1CCC(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1	858695047	DJUPSVSTZUHLJU-WXRRBKDZSA-N	324.425	1.058	50	20	DDGD	
C[C@@]1(CNC(=O)NCCCn2cccn2)C[C@H]1Br	856824693	MHNBVVKSVUQJQE-PWSUYJOCSA-N	315.215	1.746	50	20	DDGD	
CN1CC[C@@H]1CNS(=O)(=O)c1ccc(CCCCl)cc1	921414180	FLINGPMOABYSBT-CYBMUJFWSA-N	316.854	1.840	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)N[C@H](C1CC1)C(F)(F)F	852343509	AHIJENMQMPCSHE-SECBINFHSA-N	320.246	1.506	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCC(=O)c1cc(C)ccc1C	854929765	QVUMPJZLQYBNDL-UHFFFAOYSA-N	307.419	1.734	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@H]2C=NNC(=O)[C@H]2CCCCO2)cn1	853352787	HHBMRUURKRPDQW-NWANDNLSSA-N	320.393	1.652	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)CC(F)(F)F)c1nccs1	758725459	UUZRKIDFDDFUAI-ZCFIWIBFSA-N	310.301	1.529	50	20	DDGD	
C[C@]1(CNC(=O)c2ccoc2CC(N)=O)C[C@H]1Br	857388391	RMUOCSQLBNVCQZ-BXKDBHETSA-N	315.167	1.211	50	20	DDGD	
CCCC1CCC(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)CC1	755697449	DURUMXWEZSQAID-PNESKVBLSA-N	317.455	1.633	50	20	DDGD	
CN(C)CC(=O)NN=Cc1cn(-c2ccc(F)cc2Cl)nn1	755689155	LRRDRZUCFTYPOX-UHFFFAOYSA-N	324.747	1.072	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H]2CCc3cc(F)ccc32)nc1O	856794877	WMQJVIJFWBXLBM-NSHDSACASA-N	303.297	1.198	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=Cc1cnc2ncccn12	755499664	QMFKNFZRXLZNBZ-UHFFFAOYSA-N	319.328	1.449	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H]2CCN3CCCC[C@H]23)c1	858191167	VZZIOPNZDLWLFI-NWDGAFQWSA-N	322.434	1.627	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)N[C@@H]1Cc2cccc(O)c2C1	759478679	BYDQIOSUEBMTDB-LLVKDONJSA-N	324.344	1.228	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCCc2ccco2)n1	852681212	DZHAPGLYYACAFS-UHFFFAOYSA-N	305.338	1.646	50	20	DDGD	
COC(=O)[C@@H]1C[C@H](C)CCN1CCI	759436222	KTAIEQGFBNDOCV-BDAKNGLRSA-N	311.163	1.695	50	20	DDGD	
C[C@H]1CN[C@H](C)CN1C(=O)NC[C@]1(C)C[C@@H]1Br	857105026	CLVLNNXLUANGHX-WDCWCFNPSA-N	304.232	1.552	50	20	DDGD	
O=C(C[C@@H]1CCC(=O)N1)NNC(=O)Nc1ccc(Cl)cc1	854377316	KRURBRNJIOXWCB-JTQLQIEISA-N	310.741	1.161	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cc1ccc2n[nH]cc2c1)C1CC1	855097662	VRRVIDXOKWNYSQ-SECBINFHSA-N	317.418	1.399	50	20	DDGD	
COc1cccc([C@@H](CNC(=O)NNC(=O)C2CCC2)OC)c1	858653640	AOIYCALMIIKUNE-CQSZACIVSA-N	321.377	1.513	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN[C@@H](C)[C@H]2CCCOC2)cc1	754568426	UUNDFKZLLJRXGV-ZFWWWQNUSA-N	319.405	1.161	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(-c2nnnn2C)cc1	861457135	FJWVXRYUICEDBI-SECBINFHSA-N	317.353	1.076	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1	765256840	WDZNIBZHJKXJMA-UHFFFAOYSA-N	321.305	1.200	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccnc(OC)n1)c1ccccc1	932500940	RIHJTLPIHQQIGT-GFCCVEGCSA-N	314.345	1.440	50	20	DDGD	
CC[C@H](C)[C@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1	862456557	ZGYOVMAZRVKRTE-WHOFXGATSA-N	317.389	1.242	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)O)C2	864497838	SXXTYLMAZQHTOF-GUBZILKMSA-N	309.815	1.519	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)CC(F)(F)F)CCO[C@H]1C1CC1	768536021	RUDUJRNYJLXEJK-CMPLNLGQSA-N	323.315	1.474	50	20	DDGD	
CCC1(Cn2cc(C(=O)NNc3cc(C)ccn3)nn2)COC1	863895155	PLPLQHXIVHPMIQ-UHFFFAOYSA-N	316.365	1.165	50	20	DDGD	
O=C(c1ccccc1SC(F)(F)F)N1CC[C@H](B(O)O)C1	864234241	OTJQJBOWCKZMFT-QMMMGPOBSA-N	319.113	1.987	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCc2ccn(C)n2)c1	761019377	DSMZGQZMFSUABI-UHFFFAOYSA-N	317.349	1.076	50	20	DDGD	
Cc1noc([C@H]2CCCN(S(=O)(=O)CBr)C2)n1	769933931	KWQXZJJKZQXOAZ-QMMMGPOBSA-N	324.200	1.240	50	20	DDGD	
CC[C@H](C(=O)NNc1nnc(C)c(O)n1)c1ccc(F)cc1	764450620	SIFDHERIMGTZNW-NSHDSACASA-N	305.313	1.662	50	20	DDGD	
O=C(Cc1cncn1Cc1ccccc1)NNC(=O)C1CCC1	764503829	DBIGVPMCSVWWCP-UHFFFAOYSA-N	312.373	1.421	50	20	DDGD	
OB(O)c1ccc(CNc2ccccc2Br)cc1	864022526	PUHRHYRHPMEVKN-UHFFFAOYSA-N	305.968	1.741	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C=NNC(=O)N2CCOCC2)c1C	863084147	BIFSYXMORDJXNT-UHFFFAOYSA-N	322.365	1.184	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@H]1CCCN(CC(F)F)C1	867300506	GHJXGDUAHLIACS-VIFPVBQESA-N	302.300	1.641	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H](C)NC(=O)C(C)(C)C)c1	862475776	WTZWMDJCZHZWEB-SECBINFHSA-N	311.407	1.368	50	20	DDGD	
CNc1nccc(C(=O)NN[C@H](C)C(F)(F)F)c1[N+](=O)[O-]	862320449	RZMKTHNEMVXIIE-RXMQYKEDSA-N	307.232	1.217	50	20	DDGD	
CN1C[C@@H](N(C)S(=O)(=O)CC(C)(C)CCl)CCC1=O	867476936	LLBZKLHMSFIQSC-JTQLQIEISA-N	310.847	1.134	50	20	DDGD	
CNC(=O)[C@H]1CCC[C@H]1NC(=O)NNc1ccc(Cl)nc1	766285230	RGLQEWLTFUNFGU-VHSXEESVSA-N	311.773	1.276	50	20	DDGD	
COC(=O)N(C)NC(=O)NCC1CCN(CCC(C)C)CC1	875354133	HUAKZCGFPNAMBW-UHFFFAOYSA-N	314.430	1.657	50	20	DDGD	
CN1CCC(O)(CNC(=O)[C@@H](Br)C(C)(C)C)CC1	768201397	KNNJKBFSEFVPPV-SNVBAGLBSA-N	321.259	1.369	50	20	DDGD	
COc1ccc([C@@H](NC(=O)NNC(=O)C2CCC2)C2CC2)cn1	875932148	WYYWNVCUXCATFG-AWEZNQCLSA-N	318.377	1.672	50	20	DDGD	
O=C(NNc1ccc(F)cn1)c1c[nH]c(C(=O)N2CCCC2)c1	874651346	NBSYGINSQBSWJH-UHFFFAOYSA-N	317.324	1.542	50	20	DDGD	
O=C(NNc1ccccc1)c1ccc(CN2CCOCC2)o1	878061534	XZDHDBZFVGCSBV-UHFFFAOYSA-N	301.346	1.869	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(OCC(F)(F)F)nc1	878253703	RLQXMUNKTAKAPA-UHFFFAOYSA-N	322.287	1.637	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCCN1CCOC[C@H]1C	771314620	AYMSABFGVMWIFG-GFCCVEGCSA-N	310.373	1.481	50	20	DDGD	
CC(CCCC(F)(F)F)=NNC(=O)Cc1cc(O)nc(O)n1	774391933	DMLNRIGQCMMDBS-UHFFFAOYSA-N	320.271	1.655	50	20	DDGD	
O=C(NCCOC[C@H]1CCOC1)NNc1cc(Cl)ccn1	778660190	JFOVAWGSMOHTAU-JTQLQIEISA-N	314.773	1.414	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1	875146151	RSNVOVZXYYHHNM-SDDRHHMPSA-N	300.403	1.265	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1cnc(C2CC2)o1	877999392	VYSIGWCHYSEEMO-UHFFFAOYSA-N	303.293	1.695	50	20	DDGD	
Cc1cccc2c(=O)c(C(=O)NNC(=O)c3ccncc3)c[nH]c12	776096610	NNWGJFJVEWWXIU-UHFFFAOYSA-N	322.324	1.306	50	20	DDGD	
COC1(C)CCN(CC(=O)NNC(=O)c2cccs2)CC1	775555634	JKRUZIPEQALZAV-UHFFFAOYSA-N	311.407	1.010	50	20	DDGD	
CN(C)Cc1cc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])no1	1116867437	GDJGUEDMOPNBOY-UHFFFAOYSA-N	323.284	1.540	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@H]1CCO[C@@H](C)C1	776305319	GLCAPMXQHCOVJF-AAEUAGOBSA-N	306.362	1.200	50	20	DDGD	
Cc1ccncc1[C@@H](C)NC(=O)NNC(=O)c1ccc(C#N)cc1	771444189	XLIRXZHWQNUFKF-GFCCVEGCSA-N	323.356	1.967	50	20	DDGD	
CCN(CC(=O)NNc1cccc(F)c1C(=O)OC)C1CC1	773642210	YRFSYWFMSMPTIM-UHFFFAOYSA-N	309.341	1.540	50	20	DDGD	
COC(=O)CCCC(=O)NNc1ccnc(Br)c1	771744957	JTCBKNPYQXBGCN-UHFFFAOYSA-N	316.155	1.631	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@H](OC)C(C)C	771095902	KLTPFOSFHHDEAF-GFCCVEGCSA-N	314.769	1.781	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)CCc3ccsc3)nc21	770970749	DAZQPGZTTKQLDG-UHFFFAOYSA-N	318.362	1.206	50	20	DDGD	
C[C@@H]1CCCN([C@H](C)CNC(=O)NNc2ccc(C#N)cn2)C1	887705376	NBYQBENPIXEKRY-CHWSQXEVSA-N	316.409	1.700	50	20	DDGD	
O=C(CN1CCCNC1=O)NNc1ccc(F)cc1Cl	885135818	NQCVREUUAMDENT-UHFFFAOYSA-N	300.721	1.338	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)Cc2cccc3ccccc23)CO1	784038689	JPUJBYYEIOABSV-IUODEOHRSA-N	312.369	1.955	50	20	DDGD	
COc1ccc(C=NNC(=O)C(C)(C)O)c(OC(F)F)c1	785466911	YJBVJCDIFWVNRS-UHFFFAOYSA-N	302.277	1.518	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc3nc(O)oc3c2)nc1	781527616	HULDYKZGNMVFOX-UHFFFAOYSA-N	300.274	1.694	50	20	DDGD	
N#Cc1cccc(NNC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)c1	780888114	TYICFPDHMSLPID-GFCCVEGCSA-N	313.361	1.195	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCC(=O)NC(=O)c1cccs1	786673898	MTPLXGAXJCMXRR-POHAHGRESA-N	304.327	1.408	50	20	DDGD	
CC(C)n1cc([C@@H](C)NS(=O)(=O)CBr)cn1	782437419	KYHAKPHKJAGRPB-MRVPVSSYSA-N	310.217	1.797	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)Cc2c[nH]c3ccccc23)CO1	784142157	HGOGSQBKVKYCMK-JQWIXIFHSA-N	301.346	1.283	50	20	DDGD	
CC(C)(C)OC(=O)NC1(CC(=O)NN=c2cc[nH]cc2)CCC1	780755261	OQNGZYJVWFSDIZ-UHFFFAOYSA-N	320.393	1.784	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=S)NC2(C)CC2)c1	789161328	GRSDKALFESRTPD-UHFFFAOYSA-N	307.419	1.730	50	20	DDGD	
CCCCN(CC(N)=O)C(=O)[C@@H](Br)C(C)(C)C	781076551	OGMWPPBSWAOVNH-SNVBAGLBSA-N	307.232	1.910	50	20	DDGD	
O=C1CCCN1[C@@H]1CCCN(S(=O)(=O)CCCCl)C1	881880503	HUDYLYJEAQFZKM-LLVKDONJSA-N	308.831	1.032	50	20	DDGD	
COc1ccc(NNC(=O)c2cc([N+](=O)[O-])ccc2OC)nc1	781518191	DIBPSXHOSDGVBI-UHFFFAOYSA-N	318.289	1.764	50	20	DDGD	
CN1CCCC[C@H](CNC(=O)NNc2nc3ccccn3n2)C1	897553889	DXVBFRWXWOEIQP-GFCCVEGCSA-N	317.397	1.087	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)CN(C)C1CCC1	899939692	WBDAJAGVZANROT-UHFFFAOYSA-N	322.434	1.497	50	20	DDGD	
Cc1nc(C)c(CCC(=O)NNc2ncncc2Cl)c(O)n1	781826015	SFHOOFHCLPYHSA-UHFFFAOYSA-N	322.756	1.318	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1ccc(O[C@H](C)C(=O)O)cc1	794909138	QTWBGDDBRAIYEJ-SNVBAGLBSA-N	316.317	1.334	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1cc(C(=O)OC)cs1	794903394	HNTMQVFAXNMTFX-UHFFFAOYSA-N	313.379	1.594	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)N=c1cc[nH]cc1)c1cccs1	795002409	MDBZMRWLHUYSPV-SECBINFHSA-N	321.431	1.827	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42	792777610	GNUFMYGYERHXIB-UVDRMBIFSA-N	304.390	1.936	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NC[C@H](CO)[C@H]1CCOC1	797761832	HGLQVLXLWZYZMF-HBNTYKKESA-N	322.243	1.557	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1cnc2[nH]cnc2c1	798311368	QKBIBTLHRXJRSG-UHFFFAOYSA-N	310.317	1.733	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cn(C(C)(C)C)nn1	790128293	ODKBGSULGBBHGX-UHFFFAOYSA-N	301.350	1.416	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1cc2nccnc2cc1F	792639694	VNCZGBYEGPMNPN-UHFFFAOYSA-N	318.699	1.969	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])C(=O)Nc1ccccc1	790998168	ISIZROZCGXNPMC-UHFFFAOYSA-N	318.264	1.816	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)c1cccc(C)n1)c1ccccc1	794090787	ZPENYOIETBOOMD-KRWDZBQOSA-N	313.357	1.713	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1occ2c1CCC2	796302410	YUFVIYGYYNCMJU-UHFFFAOYSA-N	302.305	1.911	50	20	DDGD	
Cn1cc(C(=O)NNC(=S)NCCCCC(F)(F)F)cn1	794984230	BKKFDZYCCMNQFO-UHFFFAOYSA-N	323.344	1.262	50	20	DDGD	
COC(=O)C(=O)NN=Cc1cccc(OCc2ccccn2)c1	1318910563	CSAJRFDNAALLPA-UHFFFAOYSA-N	313.313	1.284	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)CNC(C)(C)C)o1	1318405532	UCXGLMDERIBHKQ-UHFFFAOYSA-N	324.425	1.271	50	20	DDGD	
Cn1ccc(NNC(=O)CCCOCCc2ccccc2)n1	1326697585	ORHFNLVWENBSBD-UHFFFAOYSA-N	302.378	1.903	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1nc(C2CC2)n(-c2ccccc2)n1	1329807445	SIHFNCHOTFXUII-LLVKDONJSA-N	315.377	1.102	50	20	DDGD	
Cc1ncc([C@@H](C)NC(=O)NNC(=O)C2CCOCC2)s1	1331937416	FMSCMTBMJOOBRO-MRVPVSSYSA-N	312.395	1.270	50	20	DDGD	
C=CCC1(O)CCN(C(=O)NNC(=O)c2cc(C)cs2)CC1	1336980698	GYNYHTBWAYXATI-UHFFFAOYSA-N	323.418	1.814	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C/c1c(Cl)nc(OC)n1C	1338739781	LRCJOEOMSUNVLR-SOFGYWHQSA-N	303.771	1.771	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1cccc2c1[C@@H](C)CC2(C)C	1338028892	YIMRKNCGRNLQAK-VIFPVBQESA-N	319.361	1.797	50	20	DDGD	
COCC(C)=NNC(=O)COc1ccccc1Br	1333178581	RUGSBLGETOUHHV-UHFFFAOYSA-N	315.167	1.966	50	20	DDGD	
COCCNC(=O)C1(NC(=O)c2cccc(CCl)c2)CC1	1337268823	UOHAUWMQRQENQU-UHFFFAOYSA-N	310.781	1.450	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C2CCOCC2)c(C(F)(F)F)c1	1333587474	KOLIINBIINIBAL-UHFFFAOYSA-N	319.283	1.232	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C1(c2cccc(C#N)c2)CC1	1331901700	WNAGGLWNGDFSAD-UHFFFAOYSA-N	316.430	1.884	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)c1O	1347792693	CJNSUUZMARCSKX-JFGNBEQYSA-N	304.346	1.598	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@@H]1CCCCN1C	1340856049	FOTGEBJAQCEDQQ-ZDUSSCGKSA-N	312.845	1.953	50	20	DDGD	
COCCn1cc(CNC(=O)[C@]2(C)C[C@H]2Br)cn1	1262172851	LLJWFKSCLFMMCV-ZYHUDNBSSA-N	316.199	1.319	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)C1CC1	1346191865	PUHBRNLZJXJTOS-NWDGAFQWSA-N	310.300	1.949	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2cnccn2)c(Cl)n1	1526874029	LPOYRHBLCCDZNM-UHFFFAOYSA-N	306.713	1.300	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NN=C1C[C@H]2C[C@@H](C(=O)O)[C@H]1C2	1608360215	HLLRVZPVLAMSNS-RAIGVLPGSA-N	304.321	1.971	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(C(=O)O)cn2)c2n[nH]cc2c1	1607579759	GEBRLFNELYHDNA-UHFFFAOYSA-N	311.301	1.721	50	20	DDGD	
Cc1cnn(CCC(=O)NNc2cccc(C(=O)O)c2F)c1	1600638985	QWKWYESLQWTHNA-UHFFFAOYSA-N	306.297	1.562	50	20	DDGD	
O=C(O)c1ccccc1C(=O)NNC(=O)c1c[nH]c2ccccc12	1602464594	UXEYMXJBFHBXNV-UHFFFAOYSA-N	323.308	1.941	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccccn2)ccc1-c1nn[nH]n1	1609341465	RNJRODZEXGFYJW-UHFFFAOYSA-N	323.316	1.034	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)[C@H]1CCC[C@@H](C(=O)O)C1	1601803058	IIBGWATXSNVZJU-VHSXEESVSA-N	322.390	1.290	50	20	DDGD	
CC(C)(C(=O)O)C(=O)COC(=O)/C(C#N)=C\c1ccc(O)cc1	1609648040	JPFRJPXLXNKBBS-XFFZJAGNSA-N	317.297	1.522	50	20	DDGD	
COc1ncccc1C(=O)NNc1cccc(F)c1C(=O)O	1607360774	KCIGAWSKKXNKEA-UHFFFAOYSA-N	305.265	1.684	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@H](O)c1cccnc1	1602230439	HYXZOGKOVKQAAF-GFCCVEGCSA-N	305.265	1.096	50	20	DDGD	
Cc1oc(CNS(=O)(=O)CC(C)(C)CCl)cc1C(=O)O	1600854438	PPUAYQXBDYJXPP-UHFFFAOYSA-N	323.798	1.971	50	20	DDGD	
O=C(Cn1cc(C(=O)O)cn1)NNc1cc(F)cc(Cl)c1	1601379468	SHUDFWBTGXVDCL-UHFFFAOYSA-N	312.688	1.517	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H]2COCC2(C)C)cccc1C(=O)O	1607553629	XNJAGRFZOLYVKJ-GFCCVEGCSA-N	307.350	1.744	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cccn2[C@@H](C)C(=O)O)cc1	1610312819	MVXQQWQQLLAGCJ-NSHDSACASA-N	315.329	1.906	50	20	DDGD	
O=C(NN=C1CCC(C(F)F)CC1)[C@@H]1CN2CCC[C@H]2CO1	1549321433	SQGXXLGFXMELDY-OLPBLLBXSA-N	315.364	1.777	50	20	DDGD	
CC(C)(C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)[C@H]1CCCCO1	1549904805	MOYSURDHRQRTJA-SOUVJXGZSA-N	323.437	1.547	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NN=C[C@H]2CCCO[C@@H]2c2ccnn2C)O1	1552673088	VKJXDPIEWSOLDL-GBOPCIDUSA-N	320.393	1.557	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)C1=CCCNCC1	1578850911	JUECBRZRKAAGNV-UHFFFAOYSA-N	307.325	1.365	50	20	DDGD	
CCOCc1nc(Cl)cc(NNC(=O)C2=CC[C@@H](N)C2)n1	1578127499	YFFFTVUCHXMNMR-SECBINFHSA-N	311.773	1.157	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCNC1)c1ccc(-c2ccccc2)o1	1580732459	DCVULOXBNRSWBD-CYBMUJFWSA-N	313.357	1.707	50	20	DDGD	
C[C@@]1(CNc2ccc(-c3nn[nH]n3)c(N)n2)C[C@@H]1Br	1590134107	NZPSEMRZIXYGGS-CPCISQLKSA-N	324.186	1.429	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H]2CC[C@H]2C(=O)O)ccc1C	1598949083	SFLHVSBRKNCNCK-WDEREUQCSA-N	306.318	1.336	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](C(=O)O)c1ccc(OC)cc1	1596864342	UZRKDEDMHVSTKB-PRWOLLLXSA-N	304.302	1.381	50	20	DDGD	
O=C(O)C1(C(=O)NNc2ccc3ccccc3n2)CCOCC1	1594867617	OUHUZMQAGPEXDR-UHFFFAOYSA-N	315.329	1.559	50	20	DDGD	
C[C@@H](CC(=O)O)CC(=O)NNc1cncc(Br)c1	1592391447	LJBGZYYXZIQWNY-SSDOTTSWSA-N	316.155	1.788	50	20	DDGD	
O=C(Cc1cccnc1)NN=C1CCc2cccc(C(=O)O)c21	1776043146	OKTIDVBPUTXELL-UHFFFAOYSA-N	309.325	1.789	50	20	DDGD	
C[C@@H]1C(=NNC(=O)[C@H]2CCN2C(C)(C)C)CC[C@@H]1CC(=O)O	1776098699	VDHOQOXAIHYUEW-DMDPSCGWSA-N	309.410	1.852	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=Cc1c[nH]c2c(C(=O)O)cccc12	1776102226	KGVBTKQLQVASPM-QWHCGFSZSA-N	315.329	1.741	50	20	DDGD	
O=C(NN=C1CCSc2ccccc21)[C@H]1CCS(=O)(=O)C1	18911456	RVKRLBKXGUTTLJ-JTQLQIEISA-N	324.427	1.437	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)c1ccc(Cl)cc1OC	161195000	NAIMKGRFZAYMSZ-UHFFFAOYSA-N	314.769	1.782	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1cccc(F)c1F	161660533	GAWYYWCUUXELQQ-UHFFFAOYSA-N	308.313	1.991	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2cccc(OC(C)C)c2)[nH]n1	153139314	BDYAWFKYIPMATH-UHFFFAOYSA-N	316.361	1.509	50	20	DDGD	
COc1ccc(C(=O)NNc2ncccc2[N+](=O)[O-])cc1F	153513536	SIIZYTZEISLHSH-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
CO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)Cc1ccc(F)cc1	155719732	QOSPHSRHBSWOKR-CHWSQXEVSA-N	309.341	1.266	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](CCCO)c2ccccc2)nn1	156287712	JZRAMRKXFDWQQA-CQSZACIVSA-N	315.377	1.925	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C[C@@H](C)c2ccc(F)cc2F)[nH]n1	154210021	JJYBVYPWFGRJOL-MRVPVSSYSA-N	322.315	1.951	50	20	DDGD	
CCCCCCCC(=O)NNC(=O)CNC(=O)c1ccco1	156850281	YGMFBCUJFNPGQB-UHFFFAOYSA-N	309.366	1.517	50	20	DDGD	
CN(C[C@H]1CCS(=O)(=O)C1)NC(=O)OCc1ccccc1	859386231	IGZMCRXOWXSWNL-CYBMUJFWSA-N	312.391	1.194	50	20	DDGD	
O=S(=O)(CCCCl)N(CCCO)Cc1ccccc1	881998343	LRVOVLFSOGTPCO-UHFFFAOYSA-N	305.827	1.830	50	20	DDGD	
CN(C)C(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C	53347126	OKFAUQMQRHWDJW-UHFFFAOYSA-N	312.373	1.745	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2CCCN(C(C)=O)C2)cc1	8248688	ALFKCYMIHLGXSF-OAHLLOKOSA-N	317.389	1.269	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc([N+](=O)[O-])cc1Cl)n1cncn1	178471122	RJQGKXSMXFWGIS-ZETCQYMHSA-N	310.701	1.544	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc(C)cc1)CC(F)(F)F	113932382	JSSODWXMFNTMSJ-UHFFFAOYSA-N	317.311	1.640	50	20	DDGD	
CS[C@H](C)C(=O)NNC(=O)c1cccc(OC(F)F)c1	103041412	PWTDRDVXNOWJBC-SSDOTTSWSA-N	304.318	1.801	50	20	DDGD	
CC(=O)N[C@H](C)C(=O)NNc1ccc(Br)c(C)c1	114888615	PJCMLNIINXUPGY-MRVPVSSYSA-N	314.183	1.725	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)N(C)C)[nH]n2)cc1C	178582432	NOKFDTOJZXUIIQ-UHFFFAOYSA-N	301.350	1.610	50	20	DDGD	
O=C(NNc1ncccn1)N[C@H]1C[C@H]1c1c(F)cccc1F	116562434	OLJMJPQERFZVGV-KCJUWKMLSA-N	305.288	1.937	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc3c(s2)CCOC3)o1	175837191	LNCNFCXPTFPMGT-UHFFFAOYSA-N	306.343	1.797	50	20	DDGD	
O=C(NNc1ccccc1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O	171861420	BHMSVZDVABYVMM-UWVGGRQHSA-N	301.268	1.587	50	20	DDGD	
CCCCN(C)CCNC(=O)NNc1ccc(Cl)nn1	112465125	XWXBRDPHUPDXOL-UHFFFAOYSA-N	300.794	1.488	50	20	DDGD	
CN(C)N(C(=O)CC1CCCCC1)[C@H]1CCS(=O)(=O)C1	69641379	WOLCUGGMPWWQQV-ZDUSSCGKSA-N	302.440	1.449	50	20	DDGD	
CCNC(=O)NNC(=O)CCC(=O)c1ccc2c(c1)CCC2	65623229	LGWBVISJQATAKB-UHFFFAOYSA-N	303.362	1.489	50	20	DDGD	
CCOC(=O)NNC(=O)c1cccc(OC[C@@H]2CCCO2)c1	26353320	PERRNSCRFRVEBD-ZDUSSCGKSA-N	308.334	1.635	50	20	DDGD	
CCc1ncc(C(=O)NNC(=O)c2cccc(OC)c2O)s1	65216288	YPIBHZTZWJBVET-UHFFFAOYSA-N	321.358	1.495	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CN1CCCCCC1=O	68937095	XCMAGKXAUFSNNA-UHFFFAOYSA-N	303.362	1.159	50	20	DDGD	
C[C@@H]1CC(C(=O)NNC(=O)CNC(=O)c2ccco2)C[C@H](C)C1	183689885	SDUTZHMLUCINPP-FOSCPWQOSA-N	321.377	1.229	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2cc(F)ccc2OC)n1	186255393	HUHHNCADQZSDTP-UHFFFAOYSA-N	320.324	1.627	50	20	DDGD	
CCC[C@@H]1C[C@@H](C(=O)NNC(=O)c2ccccc2O)CCO1	183531134	ABVZUGTYPUQXEL-NWDGAFQWSA-N	306.362	1.749	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCc2ccco2)c1	78263335	YBGHPCVRVZBGOT-UHFFFAOYSA-N	303.318	1.497	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1ccc(F)cn1	184003578	DRIXYASSXUTBJO-UHFFFAOYSA-N	317.320	1.623	50	20	DDGD	
CSC[C@@H](C)NC(=O)NNC(=O)c1ccc2ccccc2n1	77798456	MDXTYYGJDHAJMF-SNVBAGLBSA-N	318.402	1.930	50	20	DDGD	
Cc1nc2cc(C(=O)NN(C)C(N)=O)ccc2n1-c1ccccc1	181086412	JCLBMSIRFQXBLJ-UHFFFAOYSA-N	323.356	1.989	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNC(=O)C(C)(C)C)ccc1N(C)C	180968397	VDKRLCVBWIPDKS-UHFFFAOYSA-N	320.393	1.193	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1cc(Cl)c[nH]1	78228695	UEIHTAMPRWCXDA-UHFFFAOYSA-N	307.737	1.768	50	20	DDGD	
N#Cc1cccc(NNC(=O)NCCNC(=O)c2cccnc2)c1	79255031	MHMFUDYYSWZCOO-UHFFFAOYSA-N	324.344	1.009	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNC(=O)CNc1ccc(C)cc1	183494377	SVEDAKHZEQJGSH-CYBMUJFWSA-N	307.394	1.617	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H](C(=O)NNc2cccc3c2CCCC3)O1	193639511	WYWABMVUZHKIDD-UONOGXRCSA-N	303.362	1.041	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C2CCN(C3CC3)CC2)n1	194717899	SKTNBHNWPCLELJ-UHFFFAOYSA-N	305.382	1.111	50	20	DDGD	
CSc1ccc(C(=O)NNc2nc3ccccc3c(=O)[nH]2)o1	137218927	APGYJLCFHLKXMP-UHFFFAOYSA-N	316.342	1.995	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1ccncc1)c1c(F)cccc1F	134807566	CYFJQCXQJCJNNK-JTQLQIEISA-N	319.311	1.853	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ccc([N+](=O)[O-])cc1)N1CCCC1=O	133985288	FFDBDJSIOUBDHZ-AWEZNQCLSA-N	320.349	1.685	50	20	DDGD	
CO[C@H](C)C(=O)NNC(=O)c1ccc(Br)cc1	97513614	AERZBJUSKIHUSV-SSDOTTSWSA-N	301.140	1.245	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCc2cnn(C)c2)cc1	97258158	JDXAYELKZRMSIZ-UHFFFAOYSA-N	301.350	1.127	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H](C)N1[C@@H](C)CC[C@H]1C	245809330	NULJNZXYVADMDR-FRRDWIJNSA-N	319.405	1.718	50	20	DDGD	
CCN(CC)C(=O)CCCC(=O)NNC(=O)c1ccccc1	263695376	JSRNILNWMWJMCM-UHFFFAOYSA-N	305.378	1.486	50	20	DDGD	
CCCC[C@@H](CC)C(=O)NNC(=O)C(=O)Nc1ccccn1	268279426	OZAVMMBQIWMRJL-LLVKDONJSA-N	306.366	1.384	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)n1	269998925	XPQMLYRDOVJXNH-JLLWLGSASA-N	319.365	1.069	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)OC(C)(C)C)c2c(C)n[nH]c2n1	263840021	RSBFUHRVTRPYFQ-UHFFFAOYSA-N	305.338	1.744	50	20	DDGD	
COc1ccc(OC)c(CNC(=O)NNc2ccc(C)nn2)c1	264366332	HXMFVLPYTZCSHD-UHFFFAOYSA-N	317.349	1.629	50	20	DDGD	
COC(=O)N(C)CC(=O)NNc1ccc([N+](=O)[O-])cc1Cl	269603349	LGUXZTBBTZIZOM-UHFFFAOYSA-N	316.701	1.390	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)c2ccc3c(c2)OCCO3)CC1	267617316	MNVAPWLFCCEFMN-UHFFFAOYSA-N	319.361	1.592	50	20	DDGD	
C[C@H]1CN(CCI)C[C@@]2(CCOC2)O1	366585313	XPEBSECLCWMFJV-VHSXEESVSA-N	311.163	1.301	50	20	DDGD	
COC(=O)c1cccc([C@H](NNC(=O)CC(C)C)C(=O)OC)c1	270028354	PNNZWAIEUGBXJI-AWEZNQCLSA-N	322.361	1.354	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-]	272954028	ISGNOUUHDJFRFJ-UHFFFAOYSA-N	300.702	1.554	50	20	DDGD	
C=C(C)[C@@H](CC(=O)NNC(=O)Cc1ccccc1F)OCC	270054340	NDJVRIILBDSCDL-CQSZACIVSA-N	308.353	1.887	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CCCO1	270036069	MVLSXMFBRHINFM-UHFFFAOYSA-N	318.329	1.303	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)[C@H]1C[C@@]12CCOC2	376359046	JNLSWMFQBSKCQU-VQIMIIECSA-N	324.380	1.956	50	20	DDGD	
COC(=O)[C@@H]1COCCN1C(=O)[C@@H](Br)C(C)(C)C	372102147	LOEHJWKFDUAQAN-DTWKUNHWSA-N	322.199	1.196	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCC[C@@H](OC)C1	271328606	ZNBMMQUTOVRYMU-LLVKDONJSA-N	307.350	1.160	50	20	DDGD	
CC1(C)C[C@H]1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1c1ccccc1	276606217	SGDUAQANTKLBCV-BFHYXJOUSA-N	317.389	1.893	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)c1cccc(Cl)c1	285153008	OWEVYCVIEURCEH-QWRGUYRKSA-N	310.737	1.300	50	20	DDGD	
O=C(NNc1ncccc1F)c1cc(CN2CCCC2)on1	291508096	QHHLOKNUNKSHRP-UHFFFAOYSA-N	305.313	1.561	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)CSC2CC2)nc2ccccc21	294253816	FUYQFAVERUNEOW-UHFFFAOYSA-N	318.402	1.159	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)C12CCCN1CCC2	291041763	LFQBFKRQCJODQX-UHFFFAOYSA-N	315.299	1.567	50	20	DDGD	
COCc1cnc(NC(=O)C(=O)NNc2ccccc2C)s1	806997822	WTDAJXJCHTYGES-UHFFFAOYSA-N	320.374	1.680	50	20	DDGD	
NC(=O)N[C@@H](CC(=O)NNc1cccc(F)n1)c1cccs1	804768681	POEVJXWFFGHHFU-QMMMGPOBSA-N	323.353	1.525	50	20	DDGD	
C[C@@H]1COCC[C@@H]1CNC(=O)NNC(=O)c1ccccc1O	807509063	QGPNLZMNYLNNDG-GHMZBOCLSA-N	307.350	1.009	50	20	DDGD	
C[C@H](OCC1CC1)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802119000	UITFKKOMELRFSC-NSHDSACASA-N	320.393	1.720	50	20	DDGD	
COc1cccnc1CC(=O)NNc1nccnc1C(C)C	807426391	NFVXFYNGVLAKEC-UHFFFAOYSA-N	301.350	1.689	50	20	DDGD	
COC(=O)Nc1ccccc1C(=O)NNC(=O)[C@H]1CCCCO1	295798659	VIMFYYPDHPGYAS-GFCCVEGCSA-N	321.333	1.195	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1ccc2oc(O)nc2c1	805165168	XJNKHNFGWSAOJU-UHFFFAOYSA-N	313.269	1.314	50	20	DDGD	
CC[C@H]1CCC1=NNC(=O)c1csc(N2CCOCC2)n1	807951844	BKRKUMJPAHWSHN-JTQLQIEISA-N	308.407	1.886	50	20	DDGD	
CN(C)C(=O)NN=C1C(=O)Nc2cccc(C(F)(F)F)c21	800811038	FHNIVWYGBGWOIL-UHFFFAOYSA-N	300.240	1.633	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2cc(C)nn2C)cc1C	291187797	LCEWMVDTPSYQNW-UHFFFAOYSA-N	316.361	1.971	50	20	DDGD	
CSSCCNC(=O)N1CCC[C@H](C2OCCO2)C1	807229580	BYMNJQSXPBXWTJ-JTQLQIEISA-N	306.453	1.792	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1ccc2c(c1)C(=O)OC2	808888759	DIQXUSJUWPVBEN-UHFFFAOYSA-N	311.297	1.824	50	20	DDGD	
C=C1c2ccccc2C(=O)N1CC(=O)NNc1cccc(F)n1	804768725	RTDMUWFVBBNWQP-UHFFFAOYSA-N	312.304	1.791	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1cnc2ccccc2c1	816929684	MQKSHYDLBLFZHW-UHFFFAOYSA-N	305.301	1.658	50	20	DDGD	
CNc1ccc(Cl)c(C(=O)NNc2nccnc2OC)c1	816970597	DLGMFDATULATGS-UHFFFAOYSA-N	307.741	1.937	50	20	DDGD	
Cc1cc(C#N)cnc1C(=O)NNC(=O)c1ccc(Cl)nc1	815039445	HMVSEQIOKUULEK-UHFFFAOYSA-N	315.720	1.385	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1nc2ccc(F)cc2s1	814957810	QJVQSYIRKQTZIN-UHFFFAOYSA-N	303.322	1.851	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1	819563641	JXIFKGVHCUACDI-VQHVLOKHSA-N	301.281	1.993	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H](O)c2ccc(Cl)cc2)n1	813552541	RERJBLBJNALYOF-CYBMUJFWSA-N	319.748	1.538	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2ncncc2F)c2ccc(F)cc2N1	817079331	BYGZMIOKNMXHMG-SECBINFHSA-N	319.271	1.324	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1O	812478208	PTEFUFDIHSGLPP-BDAKNGLRSA-N	314.769	1.725	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)c2cc(F)c[nH]2)cc1OC	814757563	IHASAQMBXJDBGZ-UHFFFAOYSA-N	321.308	1.636	50	20	DDGD	
O=C(CCNC(=O)c1ccc(F)cc1)NNc1ncncc1F	817081016	NIWQRHFWHBRAAI-UHFFFAOYSA-N	321.287	1.018	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1cncc(Br)c1	815000800	SITHGNLXYYTDSH-UHFFFAOYSA-N	320.150	1.817	50	20	DDGD	
CC(C)C(=O)NNC(=O)C1(Cc2cccc(F)c2)CCOCC1	814365368	HOVTZQASWXPOSJ-UHFFFAOYSA-N	322.380	1.968	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2ncc(Br)s2)n[nH]1	814876475	VQNYMAQQRGMGDX-UHFFFAOYSA-N	314.168	1.701	50	20	DDGD	
O=C(NNc1c(F)cccc1F)c1cc(Cn2cccn2)on1	815852559	ZSOLERZPNXCUJI-UHFFFAOYSA-N	319.271	1.955	50	20	DDGD	
CC(=NNC(=O)CSc1ccccc1O)c1ccc(O)nn1	814971274	ZGJNWELXNPHERI-UHFFFAOYSA-N	318.358	1.520	50	20	DDGD	
CCCOc1cc(C=NNC(=O)Cc2cc[nH]n2)ccc1OC	814957165	MPOUJLZXPCFTOH-UHFFFAOYSA-N	316.361	1.900	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CCC[C@]1(C)NC(=O)NC1=O	819850341	WNULKVWVFMOXEC-NSHDSACASA-N	310.181	1.017	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2cnccn2)cc1C	812720293	BBULJHADOBJWOY-UHFFFAOYSA-N	300.318	1.719	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)C1(C(=O)C2CC2)CC1	827840317	OTVJHGACQBPNEF-UHFFFAOYSA-N	302.330	1.676	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)C[C@H](C)n1ccnc1	822736438	QAIPOERMJKDQRM-JTQLQIEISA-N	320.324	1.903	50	20	DDGD	
CCOCC(C)=NNC(=O)CCCNC(=O)OC(C)(C)C	494024830	VPIIGRZABRGTGL-UHFFFAOYSA-N	301.387	1.820	50	20	DDGD	
CCOC(=O)NNC(=O)CCCNc1ccc([N+](=O)[O-])cc1	492947543	ZQUJPANJHQCHKF-UHFFFAOYSA-N	310.310	1.564	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c(C)nn1	826259938	NNJFVRRTZGWKNC-UHFFFAOYSA-N	310.321	1.030	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2CCN(Cc3ccccc3)C2=O)n1	827038288	UGACIGVDPGTJRO-HNNXBMFYSA-N	324.384	1.882	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1cccc([N+](=O)[O-])c1)C(C)(C)C	827170195	PNJNBDDNDVIMKJ-GFCCVEGCSA-N	308.338	1.589	50	20	DDGD	
O=C(CCOc1ccccc1)NNc1cccc(-c2nn[nH]n2)c1	826407963	JZRUYVKFIHEUOJ-UHFFFAOYSA-N	324.344	1.779	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCc1ccc(OC)cc1	825535629	DACRFLAEOCLULR-CABCVRRESA-N	318.373	1.366	50	20	DDGD	
CN1CC[C@@H](CNC(=O)/C(C#N)=C/c2ccc(F)cc2)CC1=O	491047142	IFTLKRKUCVXKJA-SJWLEHQBSA-N	315.348	1.717	50	20	DDGD	
CC(C)CC1(C)CCN(C(=O)c2ccc(B(O)O)cc2)CC1	584992692	KRYYJRGTBTXLGT-UHFFFAOYSA-N	303.211	1.655	50	20	DDGD	
Cc1ccc(C2CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)C2)cc1	729819156	FQCWZCJCSCWIGF-AMGKYWFPSA-N	323.418	1.282	50	20	DDGD	
COc1ccc(C(=O)CCC(=O)NN(C)[C@@H](C)CO)cc1F	823946919	POWWKWLHCJZCKG-JTQLQIEISA-N	312.341	1.141	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNc1ccc(CC(=O)OC)cc1	823892611	TWEJGORBCOLYRB-CHWSQXEVSA-N	320.345	1.044	50	20	DDGD	
CNc1ccc(Cl)c(C(=O)NNC(=O)[C@@H]2CCCCO2)c1	820999458	OTAPDVJTZUPVRG-LBPRGKRZSA-N	311.769	1.712	50	20	DDGD	
CCOCC(=O)NN=C1CCC[C@H]1CNC(=O)OC(C)(C)C	491899162	UWUKNUJQSZTAFD-NSHDSACASA-N	313.398	1.820	50	20	DDGD	
O=C(CCN1CCOC1=O)NNc1ccc(OC(F)F)cc1	496904942	AKTCYJWAHSWQDN-UHFFFAOYSA-N	315.276	1.573	50	20	DDGD	
CC1=NO[C@H](C(=O)NNC(=O)c2c(Cl)cccc2Cl)C1	825768056	APSOXEJFZWUKQP-VIFPVBQESA-N	316.144	1.919	50	20	DDGD	
CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1OC	900045241	SUCZAOHIQCAREK-LDYMZIIASA-N	314.769	1.517	50	20	DDGD	
COc1ccc2nc(C)cc(C(=O)N3CC[C@@H](B(O)O)C3)c2c1	585067532	XQZSIRRYNTYFKU-LLVKDONJSA-N	314.150	1.241	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1cc[nH]c1	494142487	QAXXLEQBMZWKJB-UHFFFAOYSA-N	310.354	1.081	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(N2CCCC2=O)cc1	494474538	XZNCZJMFGMOUSX-UHFFFAOYSA-N	306.322	1.596	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCc1ccco1)N1CCCCC1	906417733	OPIQOTSNWHDHSL-UHFFFAOYSA-N	308.382	1.375	50	20	DDGD	
CO[C@](C)(CNC(=O)NNc1ccc(C)nn1)c1ccccc1	836589380	GQYOYHIFYPVJAK-MRXNPFEDSA-N	315.377	1.973	50	20	DDGD	
O=C(NNC(=O)C1(c2ccc(F)cc2)CCC1)c1ncon1	832825894	KSOULSAJDAWRIW-UHFFFAOYSA-N	304.281	1.092	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)NCC[C@H]1C[C@H]2CC[C@H]1C2	836271109	YMGLODHYGLWWOC-AVGNSLFASA-N	317.393	1.666	50	20	DDGD	
COCCCOc1ccc(CNS(=O)(=O)CCl)cc1	831490553	UFJZGJWGJWJRJQ-UHFFFAOYSA-N	307.799	1.718	50	20	DDGD	
C[C@@H](C#N)C(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1	735836491	HQLNTKCEEAWXAZ-RYUDHWBXSA-N	311.341	1.914	50	20	DDGD	
C[C@@H]1CCCC(=NNC(=O)CSc2nnc(O)nc2O)C1	730558620	MXXGZILOIFWJLC-SSDOTTSWSA-N	311.367	1.057	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1	837310894	OUQYQXYAPLIVID-HONMWMINSA-N	320.345	1.032	50	20	DDGD	
C=C(C)CCNC(=O)NNC(=O)COc1ccccc1[N+](=O)[O-]	838659029	AIOAEKLMHVSTNO-UHFFFAOYSA-N	322.321	1.270	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNC(=O)c1cccc(Cl)c1	838775824	MBOZVNIBIBVZTE-NEPJUHHUSA-N	311.769	1.852	50	20	DDGD	
COc1cc([C@H](C)NS(=O)(=O)CCl)cc(OC)c1OC	830001986	BJANLQPMBKCMLQ-QMMMGPOBSA-N	323.798	1.889	50	20	DDGD	
CC(C)O[C@H]1C[C@@H](NC(=O)NNC(=O)CCc2ccccc2)C1	838747408	LQKMCCGYQZPRHL-GASCZTMLSA-N	319.405	1.906	50	20	DDGD	
COc1ccc(-c2ccc(C(=O)NCB(O)O)c(F)c2)c(F)c1	585060192	NWXKNCJFQYYSOG-UHFFFAOYSA-N	321.088	1.382	50	20	DDGD	
CS[C@@H](c1nc(-c2ccc(B(O)O)cc2)no1)C(C)(C)C	585054471	MFROJUVGBONGHS-NSHDSACASA-N	306.196	1.867	50	20	DDGD	
Cc1csc(CCNC(=O)NNc2ncc(F)cc2F)n1	837598060	MAPKTYMWWFCUSG-UHFFFAOYSA-N	313.333	1.994	50	20	DDGD	
CN(C)CC(=O)NN=C1CCc2cc(Br)ccc2C1	730434436	MNIYAKAFHGUOAO-UHFFFAOYSA-N	324.222	1.972	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@@H](C1CC1)[C@@H](CO)C1CC1	832232719	RIZJOQFRNCMRFH-STQMWFEESA-N	309.859	1.722	50	20	DDGD	
CCOc1cccc2c1OCC(C(=O)NN(C)C[C@H](C)O)=C2	910170588	MVGRODAESBLUCM-NSHDSACASA-N	306.362	1.205	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccco2)[nH]n1)NC1CCCCC1	912985618	PAXYFACIVNAGKS-UHFFFAOYSA-N	317.349	1.946	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccsc1Br	830691138	SGZGHHAMOOWSOX-UHFFFAOYSA-N	307.169	1.043	50	20	DDGD	
COc1ccc(C)cc1-n1ccc(C(=O)NN(C)C[C@@H](C)O)n1	910167965	LOSQYIOQOZRJFL-GFCCVEGCSA-N	318.377	1.147	50	20	DDGD	
C[C@@H](C(=O)O)n1cccc1C=NNC(=O)c1ccccc1O	833406207	LPZZEZLENVABCT-JTQLQIEISA-N	301.302	1.603	50	20	DDGD	
Cc1nccn1-c1ncccc1CNC(=O)NNc1ccccn1	919779618	PKPRJSGSVOFLGL-UHFFFAOYSA-N	323.360	1.797	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H](C)c2cccc(Cl)c2)nc1O	743295787	REBYOEBYZIDDAX-SSDOTTSWSA-N	307.741	1.786	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc3c(s2)CCC3)o1	847288289	ZVCVQJUKSFPUNN-UHFFFAOYSA-N	306.343	1.913	50	20	DDGD	
O=C(NN=C1CCc2c(Cl)cccc21)C(=O)N1CCCC1	748136588	NHQXBOJIKOGXBD-UHFFFAOYSA-N	305.765	1.729	50	20	DDGD	
Cc1ccc(-n2cc(C=NNC(=O)C(C)(C)O)c(C)n2)cc1	848409369	UXSKJEJHSFLNON-UHFFFAOYSA-N	300.362	1.710	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1[N+](=O)[O-]	843649964	YCCYEZRDTAVDRZ-ONGXEEELSA-N	307.306	1.089	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(N(C)C)c2ccccc2n1	910149562	FZCYKVYYRXSRPR-NSHDSACASA-N	302.378	1.258	50	20	DDGD	
COC(C)(C)CNC(=O)NNC(=O)COc1cc(C)cc(C)c1	745890327	VXZCJIFLOILFEY-UHFFFAOYSA-N	323.393	1.438	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](NC(=O)[C@H](Br)C(C)(C)C)C1	840530312	LBWJZYMZHXOKBK-YIZRAAEISA-N	306.200	1.864	50	20	DDGD	
Cn1nc2c(c1S(=O)(=O)NCCCSC#N)CCCC2	917007426	NUEYGRPAXYOZNW-UHFFFAOYSA-N	314.436	1.182	50	20	DDGD	
C[C@@H](CC(=O)NN(C)C1CC1)n1cc(Br)cn1	843908550	ONUOYIIBERFTOW-QMMMGPOBSA-N	301.188	1.722	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H](C)C2CC2)cc1	748135696	XXPNKTFPBYMXRR-NSHDSACASA-N	304.346	1.345	50	20	DDGD	
C=CCn1cc(C(=O)NNC(=O)C(C)(C)c2ccccc2)nn1	843545940	GQJGTXVTDMPKQS-UHFFFAOYSA-N	313.361	1.203	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=Cc2ccc(C(=O)O)[nH]2)c1	749812271	LQTYLVPTPUNVSD-UHFFFAOYSA-N	317.301	1.494	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(OCc2ccncc2)cc1	910146619	LJJBGDPWIYBHFK-CYBMUJFWSA-N	315.373	1.618	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1CC	843660222	WASZDWROMCRSGP-VXGBXAGGSA-N	322.409	1.432	50	20	DDGD	
O=C(NCC1CCNCC1)NNc1ncnc2ccsc12	841924191	NRONRFCZOWPWAC-UHFFFAOYSA-N	306.395	1.317	50	20	DDGD	
COc1ncnc(N)c1C=NNC(=O)CCCc1ccccc1	747630687	RGYKZIGDDQXVOZ-UHFFFAOYSA-N	313.361	1.540	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)C[C@H](C)n2ccnc2)o1	845336801	PTSOIXPVAAIUGZ-JTQLQIEISA-N	302.338	1.961	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H](C)C(=O)OC(C)(C)C)n1	840865638	UPBRLYCCRLILFZ-ZETCQYMHSA-N	314.773	1.859	50	20	DDGD	
CO[C@@H](C)CC(=O)NNC(=O)CCSc1ccc(F)cc1	749562381	FVHSELWTAKEHFR-JTQLQIEISA-N	314.382	1.880	50	20	DDGD	
Cc1cccc(C2(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)CCC2)c1	843644095	OGZHYITYGWPKLT-UKRRQHHQSA-N	316.401	1.989	50	20	DDGD	
C[C@@H]1COC[C@@H]1NC(=O)NNC(=O)c1cc2c(s1)CCC2	925990114	FXCDHQJDPAQBRK-SCZZXKLOSA-N	309.391	1.216	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1ccccc1-n1ccnn1	842559063	HVUUZDSGUAYQQU-JSGCOSHPSA-N	313.361	1.533	50	20	DDGD	
CCN1C[C@H](CNC(=O)[C@H](Br)C(C)(C)C)CC1=O	846466444	SJXMEZJMOVLAOZ-ONGXEEELSA-N	319.243	1.781	50	20	DDGD	
O=C(CO)NNC(=O)c1cc(-c2ccccn2)nc2ccccc12	753445139	UZTODXGZZQOCSX-UHFFFAOYSA-N	322.324	1.050	50	20	DDGD	
CNC(=S)N(C)NC(=O)COc1c(Cl)cccc1Cl	854929774	RCSHDLWMLXFKIO-UHFFFAOYSA-N	322.217	1.840	50	20	DDGD	
C[C@@H]1[C@H](CO)CCCN1C(=O)NC[C@@]1(C)C[C@@H]1Br	856893937	RUPZMFDAVDEKKN-MPPDQPJWSA-N	319.243	1.962	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2nccnc2C)cc1C	854191483	JZBMYUOTQLYCHG-UHFFFAOYSA-N	314.345	1.242	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccc(C2OCCO2)cc1	854997611	PHTVSYIGVURRKI-UHFFFAOYSA-N	318.251	1.445	50	20	DDGD	
Cc1cc(=NC(=O)NNC(=O)COc2ccccc2F)cc[nH]1	757808165	QSADRRGSOYNZDC-UHFFFAOYSA-N	318.308	1.183	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cnc2[nH]nnc2c1)c1ccccc1	755296417	DJNNHBYOUGTWRK-UHFFFAOYSA-N	324.344	1.092	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(Oc2cccnc2)nc1	757802717	BKSJCIWTXKTDPF-UHFFFAOYSA-N	301.306	1.832	50	20	DDGD	
O=C(CO)NNC(=O)Nc1cc(F)ccc1Oc1ccccc1	756334528	MXTOXDNTOHIZBK-UHFFFAOYSA-N	319.292	1.763	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2CCOC(=O)N2)cc1	858139992	XACRIUNSDNMEQR-LBPRGKRZSA-N	319.361	1.244	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2CC23CCNCC3)C[C@@H]1Br	857007365	JQYCCWMFPFOPSS-JFGNBEQYSA-N	301.228	1.666	50	20	DDGD	
CC[C@@H](C)n1nc(C(=O)NNC(=O)c2cccc(F)n2)cc1C	856423299	QTPYDWUKMXQLEO-SECBINFHSA-N	319.340	1.771	50	20	DDGD	
CCC(C#N)(CC)C(=O)NNC(=O)COc1ccc(C)cc1	858141718	RKGVAZXGKPOSDD-UHFFFAOYSA-N	303.362	1.851	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NC[C@@]2(C)C[C@@H]2Br)CCN1	857104111	QJZWIURRRBGEEX-MWGHHZFTSA-N	304.232	1.600	50	20	DDGD	
CCNC(=O)NN=Cc1cc(C)n(CCN2CCOCC2)c1C	920825132	MJYYTTZJYUQAOB-UHFFFAOYSA-N	321.425	1.090	50	20	DDGD	
C/C(C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)=C/c1ccccc1	920382533	YWPDFHBTJYTKRE-YRPAQVJISA-N	321.402	1.562	50	20	DDGD	
O=C(CSc1ccc(O)cc1)NNC(=O)OCC(F)(F)F	856021773	SHACRTRADIAXPL-UHFFFAOYSA-N	324.280	1.804	50	20	DDGD	
O=C(CCC(=O)NC1CCCC1)NNC(=O)NC1CCCC1	755715992	AOUWATQKFFLDLZ-UHFFFAOYSA-N	310.398	1.098	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CCc2ccccc2O)nn1C	757753875	OFOYMEAYAMONBD-UHFFFAOYSA-N	317.349	1.220	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(SC)oc1C	850230407	OLHBQSJCAKUHIM-QMMMGPOBSA-N	314.363	1.413	50	20	DDGD	
CCOc1nc(C(=O)NC[C@@]2(C)C[C@H]2Br)co1	857396078	XZPJWQCHHKDGJE-LDYMZIIASA-N	303.156	1.977	50	20	DDGD	
O=S(=O)(CCl)N1CCn2c(cnc2C(F)(F)F)C1	921692865	GJTAKIPSQROLAZ-UHFFFAOYSA-N	303.693	1.244	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccnc(SC)c2)nc1	759739911	SOZPGFDDAIGMQD-UHFFFAOYSA-N	318.358	1.742	50	20	DDGD	
CS(=O)(=O)C[C@H](C(=O)NCC(Cl)Cl)c1ccccc1	854450892	MWDWCYGSHAGHJL-JTQLQIEISA-N	324.229	1.735	50	20	DDGD	
O=C(NNc1ccc(F)cn1)N[C@@H]1CCN(CC(F)(F)F)C1	753915975	POFFYXJZTVREFQ-SECBINFHSA-N	321.278	1.483	50	20	DDGD	
C=C[C@](C)(O)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	854197092	XWMLXRWAQWGBHD-JPVQUXCTSA-N	306.406	1.677	50	20	DDGD	
COCCCOCC(=O)NNc1cccc(C(=O)OC)c1C	855626192	WHHSTABYXZWFOY-UHFFFAOYSA-N	310.350	1.278	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)C1CC1)c1cccc(C(F)(F)F)c1	754843255	VQIVAJSJLUMERI-ZDUSSCGKSA-N	316.279	1.470	50	20	DDGD	
C#CCOc1ccccc1C=NNC(=O)C(=O)Nc1ccccn1	758386788	AUZQDNJAASTOGK-UHFFFAOYSA-N	322.324	1.182	50	20	DDGD	
O=C(CNC(=O)c1ccncc1)NNc1cccnc1Cl	754475824	YUJNJEAOVVJSQA-UHFFFAOYSA-N	305.725	1.003	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1F	853295334	QANDVNWKKNUPPI-JTQLQIEISA-N	315.370	1.195	50	20	DDGD	
N#CCc1ccc(C(=O)NNC(=O)OCC(F)(F)F)cc1	856021311	DNNZIZRJBASXIY-UHFFFAOYSA-N	301.224	1.686	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC(F)(F)C1)c1cccc(Cl)n1	857323806	ZKDOIZXSOGEALV-ZETCQYMHSA-N	303.696	1.931	50	20	DDGD	
CNC(=O)C1(C(=O)OC[C@@H](CBr)C2CC2)CCC1	859547801	QYKWQLJVNDTHNK-SNVBAGLBSA-N	318.211	1.867	50	20	DDGD	
CC1=NO[C@@H](C(=O)NNC(=O)CSc2ccc(C)cc2)C1	854235285	PAXAIHOIUSNCGH-GFCCVEGCSA-N	307.375	1.399	50	20	DDGD	
COC(=O)c1cccc(NC(=O)NNC(=O)C2CCCC2)c1	755845153	SONGFCGWSWJGIA-UHFFFAOYSA-N	305.334	1.816	50	20	DDGD	
CCSc1ccccc1C(=O)NNC(=O)C(=O)NC(C)C	753011384	YMGJIXXRDOTSHN-UHFFFAOYSA-N	309.391	1.084	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@H]1CCc2nccn2C1	863094349	QILUITQMHDNZRV-ZETCQYMHSA-N	312.242	1.264	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cscc2C)o1	764372070	VQVPBZVWJVWHCU-UHFFFAOYSA-N	307.331	1.358	50	20	DDGD	
Cc1ccncc1C(=O)NNC(=O)CSc1ccccc1O	764047453	JSBLIXXRNFMVBA-UHFFFAOYSA-N	317.370	1.649	50	20	DDGD	
CCCn1ncc(NC(=O)NNC(=O)c2cn[nH]c2)c1C1CC1	861158993	LFLWYCHPNLAUHM-UHFFFAOYSA-N	317.353	1.360	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)CS(C)(=O)=O)C1(CC)CC	863187251	DRKYOEGJRVNUFV-NSHDSACASA-N	304.412	1.118	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)Nc1ccc([C@H]2CCOC2)cc1	861145323	QRXLIYGTFJVWDX-NSHDSACASA-N	315.333	1.380	50	20	DDGD	
CN(N=Cc1c(F)ccc(C2OCCO2)c1Cl)C(N)=O	761827771	IFDWSXCODQPSFA-UHFFFAOYSA-N	301.705	1.869	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)C2CCCC2)c1Br	760179147	ZMWPZNWADNIYEC-UHFFFAOYSA-N	315.171	1.134	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccccc1N1CCCCC1	763432029	UVJPGZUGERVNCI-UHFFFAOYSA-N	318.377	1.173	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H]1CC(c2cn(C)nc2C)=NO1	935615187	ALKULEZFOYJTCW-ZDUSSCGKSA-N	314.349	1.068	50	20	DDGD	
CCCOc1ccc(NC(=O)C(=O)NNC(=O)C(C)C)cc1C	861804065	JZDMAXWFYSOCKP-UHFFFAOYSA-N	321.377	1.526	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1ccc(C(C)(C)O)cc1	767368819	WKTWUXKKWKKZJW-UHFFFAOYSA-N	317.389	1.377	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1C(=O)NNc1nccnc1OC	764463158	FRMYILRNOOLABO-UHFFFAOYSA-N	319.277	1.159	50	20	DDGD	
COc1cccc2c1CCCC2=NNC(=O)[C@H]1CCC(=O)N1	863153677	YYWGXZNZILTXTA-CYBMUJFWSA-N	301.346	1.130	50	20	DDGD	
CCOc1cccc(NC(=O)NNC(=O)c2ccncc2)n1	765320191	GTPYCERSISRLKC-UHFFFAOYSA-N	301.306	1.342	50	20	DDGD	
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NNC(=O)c2cn[nH]c2)o1	862473739	ZVQPYMUVJBIBOG-SKDRFNHKSA-N	302.334	1.520	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSc1nc2ncccc2s1	865375707	WSKGIWJAUBWDEN-UHFFFAOYSA-N	324.431	1.977	50	20	DDGD	
CCO[C@@H]1CCCC1=NNC(=O)c1ccc(-n2cnnn2)cc1	766433834	PBASSXCXKDIQIB-CQSZACIVSA-N	314.349	1.337	50	20	DDGD	
CCCOc1ccc(C(C)=NNC(=O)[C@@H]2CCC(=O)N2)cc1	863144983	CVTUKQNLGVKICI-AWEZNQCLSA-N	303.362	1.594	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCOC(C)(C)[C@H]1C	763610091	OVOZZSJHIKWHTB-LLVKDONJSA-N	321.377	1.549	50	20	DDGD	
Cc1nnc2n1C[C@H](C(=O)NNc1nc3ccccc3[nH]1)CC2	768501806	KWOUUWZIQMYOGG-SNVBAGLBSA-N	311.349	1.169	50	20	DDGD	
Cc1cc(Cn2nnc(C(=O)NNc3ccccn3)c2C)on1	1117757732	CELYULACWLMVBZ-UHFFFAOYSA-N	313.321	1.083	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ccc3nccn3c2)c1Cl	1116298469	RRCSKLFVRZUSKE-UHFFFAOYSA-N	303.713	1.117	50	20	DDGD	
CC(C)(C(=O)NNc1cc(Cl)ccn1)n1cc([N+](=O)[O-])cn1	778449256	BEPJOYTZCAVENT-UHFFFAOYSA-N	324.728	1.718	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(OC)cc1C	772160471	PLWQRRDNKFLCMD-JTQLQIEISA-N	308.334	1.106	50	20	DDGD	
COc1cccc(NCC(=O)NN=C(C)c2ccnc(C)n2)c1	1116760155	AUBUSBBYBDOLQD-UHFFFAOYSA-N	313.361	1.746	50	20	DDGD	
COCCOCC(=O)NN=Cc1cn(C)c2cc(Cl)ccc12	872399863	QHTCIJLLUIINLC-UHFFFAOYSA-N	323.780	1.945	50	20	DDGD	
CC#CCCNC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	776204947	GNASNGYRTGZHEA-AWEZNQCLSA-N	317.389	1.815	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)Nc1ccc2c(n1)CCC2	879817983	BCDQWDVSXYLLRT-UHFFFAOYSA-N	304.350	1.150	50	20	DDGD	
CCN(CC)CC(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874951131	KJBMPIRDXFBBHK-UHFFFAOYSA-N	323.466	1.412	50	20	DDGD	
O=C(NNc1cccnn1)C(=O)Nc1cccc(-c2ncco2)c1	1116729752	KLDUXTSTFHWFTB-UHFFFAOYSA-N	324.300	1.213	50	20	DDGD	
CSCCCNC(=O)NNC(=O)c1nc2ccccc2s1	872898904	WJTUFQRFAOJQGS-UHFFFAOYSA-N	324.431	1.993	50	20	DDGD	
C#CCCCCC(=O)OCC(=O)NNC(=O)c1cccc(C)c1	773640704	OMPIRGUPLNWUFE-UHFFFAOYSA-N	316.357	1.493	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)NNc1ccnc(Br)c1	771550674	AYURBJHPQCPPJL-UHFFFAOYSA-N	315.171	1.202	50	20	DDGD	
Cc1ccn(CC(=O)NNc2cc(Cl)nc(C)n2)c(=O)c1	774014207	VUURVNGFZJWENK-UHFFFAOYSA-N	307.741	1.052	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc(C)nc2Cl)n1	1123338036	NUVZVYDRRDMIEC-UHFFFAOYSA-N	308.729	1.991	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)[C@H](C)C2)cc1O	882049947	JZDCKHRWPWFEEJ-MNOVXSKESA-N	304.346	1.467	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNc1ncc(Cl)cn1	880802893	VNBSFDCXIQCTMK-RDDDGLTNSA-N	306.757	1.662	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C[C@H]1COc2cc(OC)ccc21	780710733	HIVPGMHEZPAMBN-JTQLQIEISA-N	307.350	1.254	50	20	DDGD	
N[C@H](c1cn(/C(Cl)=C/CBr)nn1)[C@H]1CCCO1	881311003	WCXNBWJJJGFFMK-UIORSMBSSA-N	321.606	1.889	50	20	DDGD	
C=C(CBr)n1cc(CN2CCC[C@@H]2CO)nn1	881317182	ZVASOEKUIUGLJS-LLVKDONJSA-N	301.188	1.100	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)O[C@H](C(N)=O)C(C)C)cc(C#N)n1C	782626806	QEVJZYLQPLPTLP-CLUXPMKYSA-N	314.345	1.165	50	20	DDGD	
O=C(CC1CCC2(CC1)OCCO2)NNc1ncc(F)cn1	788519555	AKFHZUMYUJADOQ-UHFFFAOYSA-N	310.329	1.382	50	20	DDGD	
O=C(NCCSc1ccccc1)NNC(=O)C1CCOCC1	883077157	AJHUSAGUDYQUJN-UHFFFAOYSA-N	323.418	1.536	50	20	DDGD	
CC(CCc1n[nH]c2ccccc12)=NNC(=O)C(=O)NC(C)C	782224675	AIFIQVLCVOZVAH-UHFFFAOYSA-N	315.377	1.512	50	20	DDGD	
O=C(c1cccc(CCl)c1)N1CCSC[C@@H]1c1nn[nH]n1	1120637460	OGAFXBSLCCSJSO-LLVKDONJSA-N	323.809	1.869	50	20	DDGD	
COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NNC(=O)C(C)C)c1	788086522	JPDIJZWZGHESKV-WCQYABFASA-N	306.362	1.611	50	20	DDGD	
Cn1cc(C(=O)NNC(=S)NC(C)(C)C)c(C(F)(F)F)n1	899992204	RATYELIJGKZCNW-UHFFFAOYSA-N	323.344	1.346	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C1(c2ccc(OC)cc2)CCC1	780708175	CAZRGWCJGHPMBA-UHFFFAOYSA-N	305.378	1.809	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H](C)NC(=O)C2CCCCC2)n1	781023667	DSGHIKPRRAVGQG-LLVKDONJSA-N	320.393	1.618	50	20	DDGD	
COc1ccc(NNC(=O)COCc2cccc(OC)c2)nc1	781534017	SYMULUPJVRGJLS-UHFFFAOYSA-N	317.345	1.759	50	20	DDGD	
CNC(=O)CCOc1ccc(NC(=O)NNC(=O)C(C)C)cc1	782569218	UICMMNSCRALIMV-UHFFFAOYSA-N	322.365	1.010	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C(C)(C)C1CCC(O)CC1	899996006	MCEGTSQWRVYHCG-UHFFFAOYSA-N	315.483	1.858	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1CCN(C)c2ccccc21	798306676	QWEULUQHZXUUEK-LBPRGKRZSA-N	304.419	1.291	50	20	DDGD	
CCn1ncc(NC(=O)NNc2cnccn2)c1C(F)(F)F	799237354	XEIWNMXLBHGJAA-UHFFFAOYSA-N	315.259	1.860	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@H](c2ccncc2)C2CC2)cn1	890903350	FFHAMMMXBLURIS-AHQMPEJBSA-N	307.357	1.990	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)c2cccn2C)[nH]c1C	799474799	OUBMJTRGMKDJIG-UHFFFAOYSA-N	302.334	1.602	50	20	DDGD	
CCc1occc1C(=O)NNC(=S)Nc1ccc(OC)nc1	798125869	YBBYBKSRZMQGRB-UHFFFAOYSA-N	320.374	1.877	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2cn(C(C)(C)C)nn2)c1	790143195	BSHANDNPDRXYAQ-UHFFFAOYSA-N	315.377	1.871	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1csc(O)n1	792020783	FOEIDUZIOLOFHI-UHFFFAOYSA-N	316.342	1.334	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccc(C(F)(F)F)nn1)C(=O)OC	790817423	KDUKLZDUWKEFJK-LURJTMIESA-N	306.244	1.138	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2c[nH]c3ncccc23)cc1	1319138879	WCPHKVNSVBBNRN-UHFFFAOYSA-N	324.340	1.575	50	20	DDGD	
Cc1cccc(C)c1OCC(=O)NNc1nncc(N)c1Cl	1319302500	GFEVIPSUGDRVFJ-UHFFFAOYSA-N	321.768	1.851	50	20	DDGD	
Cc1ccc(CNC(=O)NNc2nncc(N)c2Cl)s1	1319189793	JKUSQTVUDUHHTA-UHFFFAOYSA-N	312.786	1.908	50	20	DDGD	
CO[C@]1(C)CCCN(C(=O)NNC(=O)c2cc(C)cs2)C1	1328731135	HQVWFUPLAAHTRL-CQSZACIVSA-N	311.407	1.912	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)C[C@H]2C)cc1	1323477136	RRSXNBBBFRCAHU-QMTHXVAHSA-N	304.346	1.462	50	20	DDGD	
O=C(CSCc1cccc(Cl)c1)N1CC[C@H](B(O)O)C1	585074183	JQUFLVKFWZOOJX-NSHDSACASA-N	313.615	1.649	50	20	DDGD	
CO[C@H]1CCC[C@H]1C(=O)NNC(=O)CCOc1ccccc1	1336316912	YPZZXXYHMVSNSG-KGLIPLIRSA-N	306.362	1.418	50	20	DDGD	
CC(C)(Oc1ccccc1)C(=O)NNC(=O)C1CCOCC1	1334325595	HLQJRILCKXXSEJ-UHFFFAOYSA-N	306.362	1.418	50	20	DDGD	
CCCN1CCCC[C@H]1C(=O)NNC(=O)c1cccc(C)n1	1339634962	ULVYJOGRCCJSLL-AWEZNQCLSA-N	304.394	1.416	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)c1cccc2ncccc12	1262607451	ASAJMZJKMWSMSN-DZGCQCFKSA-N	313.357	1.811	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=C1CCc2cccnc21	1353067593	IODZXSROSOLMOK-UHFFFAOYSA-N	316.405	1.791	50	20	DDGD	
COC(=O)CC1(CNC(=O)NN=c2cc[nH]c(C)c2)CCCC1	1521249671	MYFFWQJVNXHJFO-UHFFFAOYSA-N	320.393	1.562	50	20	DDGD	
CCOc1ccc(CCNC(=O)NNC(=O)C2CCC2)cc1	1523210243	GHMHCWQZSMFZLR-UHFFFAOYSA-N	305.378	1.758	50	20	DDGD	
Cc1c(NNC(=O)Cn2cc(Cl)cn2)cccc1C(=O)O	1600050648	HPBOAOGWRVXYIK-UHFFFAOYSA-N	308.725	1.686	50	20	DDGD	
O=C(O)CC[C@@H]1CC[C@H](C(=O)NN=c2cc[nH]cc2Cl)O1	1608736531	DUIXXDUBAWDRLJ-GZMMTYOYSA-N	313.741	1.012	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)c1c[nH]c(C(=O)O)c1	1601562192	WLSPEQKZFZCYOD-UHFFFAOYSA-N	313.273	1.119	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1CNC(=O)NNc1cccc(C(=O)O)c1	1602942282	ZASJVRCPWIDNIC-AAEUAGOBSA-N	305.334	1.602	50	20	DDGD	
COc1ccnc(C(=O)NNc2cccc(C(=O)O)c2F)c1	1607350294	UAXKNZONHRSFKX-UHFFFAOYSA-N	305.265	1.684	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1ccc(C(=O)O)cc1C	1602987361	MPSUKTWUHSHSII-UHFFFAOYSA-N	317.345	1.156	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C1CCC1	1609070846	QGTJDHRVSWADCU-VIFPVBQESA-N	314.349	1.064	50	20	DDGD	
COc1cc(C(=O)O)ccc1NC(=O)NNC(=O)CCC(C)C	1607135376	ZIGDXZYPVUCGJD-UHFFFAOYSA-N	323.349	1.982	50	20	DDGD	
Cc1n[nH]c(C)c1CCC(=O)NNc1ccccc1C(=O)O	1600667191	BXEYYWGAAHSCHC-UHFFFAOYSA-N	302.334	1.801	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccc3nc(O)oc3c2)nc1	1608905099	YYPSZKASIIPFKP-UHFFFAOYSA-N	314.257	1.384	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cnc(-c3ccccc3)[nH]2)nc1	1602383582	RPJUHHWUBBTDGT-UHFFFAOYSA-N	323.312	1.927	50	20	DDGD	
Cn1ncc(C=NNC(=O)[C@H]2CCCO[C@@H]2c2ccccc2)n1	1549082347	CLJROUAOWGEEIB-LSDHHAIUSA-N	313.361	1.433	50	20	DDGD	
CNNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C	1578744971	OFSCXSFYJQZNAG-UHFFFAOYSA-N	311.407	1.034	50	20	DDGD	
CCOCc1nc(C)cc(NNC(=O)CC[C@@H]2CCCNC2)n1	1578127241	QNEYVYUMZRSEEN-ZDUSSCGKSA-N	321.425	1.544	50	20	DDGD	
N[C@H]1CCCn2nc(C(=O)NNc3nc4ccccc4[nH]3)cc21	1580191614	SKJAAPQJQAKYMG-VIFPVBQESA-N	311.349	1.310	50	20	DDGD	
C[C@@H](C(=O)O)C(=O)NNC(=S)Nc1cccc(Cl)c1	1588574004	RUNIPGKAJZMNRK-ZCFIWIBFSA-N	301.755	1.378	50	20	DDGD	
CC(C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)=C1CCC1	1588998858	FVLJJPRLNKGNFL-UHFFFAOYSA-N	319.756	1.859	50	20	DDGD	
CC1(C)CC[C@@H]1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1590091853	AGGWSJCKERNIEN-LLVKDONJSA-N	314.349	1.064	50	20	DDGD	
COc1ccc(NNC(=O)Nc2ccc(C(=O)O)cc2)nc1	1599598267	SJLFOKFGKYCKFD-UHFFFAOYSA-N	302.290	1.937	50	20	DDGD	
COC(=O)C1=CC[C@H](NC(=O)NNc2cccc(C(=O)O)c2)C1	1598728995	HFRXCSHJEHTUMZ-NSHDSACASA-N	319.317	1.273	50	20	DDGD	
CO[C@H](C(=O)O)C(=O)NNc1ccc(C#N)cc1C(F)(F)F	1593911234	INNWPOFVBMLCKO-VIFPVBQESA-N	317.223	1.120	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNc1cccc(F)c1C(=O)O	1596526083	OJIZLWPCOQAFID-QMMMGPOBSA-N	312.297	1.556	50	20	DDGD	
COCc1cc(C=NNC(=O)c2ccc(C(=O)O)cc2)no1	1776100386	FCGLMXICNGSUHA-UHFFFAOYSA-N	303.274	1.283	50	20	DDGD	
CC(C)NC(=O)NNS(=O)(=O)c1c(F)cc(F)cc1F	49463264	MAMRZWPUVSOFHN-UHFFFAOYSA-N	311.285	1.005	50	20	DDGD	
COc1ccccc1/C(C)=C/C(=O)NNC(=O)c1cc(C)n[nH]1	152987377	UQWLQJBGYQDPAO-CSKARUKUSA-N	314.345	1.591	50	20	DDGD	
CC(=O)N1CCC(CNS(=O)(=O)CCCCCl)CC1	154114073	FCYSPMCJYZSYRP-UHFFFAOYSA-N	310.847	1.183	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1	159072078	NTSCOHXAJYXDSS-UHFFFAOYSA-N	316.317	1.517	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc(N2CCCCC2)o1	33932397	SQKCYILMHKDOJX-QBFSEMIESA-N	303.362	1.939	50	20	DDGD	
Cc1nc([C@H](C)NS(=O)(=O)c2ccc(CCl)cc2)n[nH]1	392310055	DXRCKLPBROKXJY-QMMMGPOBSA-N	314.798	1.891	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=S)NC[C@H]2CCCO2)cc1	6946186	NBIFPGBSHHGREW-CYBMUJFWSA-N	323.418	1.373	50	20	DDGD	
Cn1cnc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)c1	179338377	DNTHIONIOGCLNJ-UHFFFAOYSA-N	313.144	1.802	50	20	DDGD	
COCCCCCNC(=O)NNc1ccc(-n2cccn2)nn1	57648912	FQACAOPXOJRBHP-UHFFFAOYSA-N	319.369	1.105	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])C(=O)Nc1ccsc1	119170699	IJBYIAVTNKYPMD-UHFFFAOYSA-N	306.303	1.738	50	20	DDGD	
Cc1cccc2[nH]cc(CC(=O)NNC(=O)Cc3cccnc3)c12	103423158	XGUAOSITVYTFKZ-UHFFFAOYSA-N	322.368	1.804	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNC(=O)Cc2cccnc2)s1	103422857	OLMLPHPXYVWQDD-UHFFFAOYSA-N	318.402	1.839	50	20	DDGD	
CC(C)N(CCNC(=O)NNC(=O)Cc1ccncc1)C(C)C	176139534	FSWFFIYEIAXQFM-UHFFFAOYSA-N	321.425	1.073	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@@H]1CSc2ccccc21	118223344	OLDGBLZOWZEFTE-CYBMUJFWSA-N	313.382	1.661	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CSc1ccc(F)cc1	61527818	VWKXSGBVSDWHPE-UHFFFAOYSA-N	307.350	1.718	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NNc1ccc(C(N)=O)nn1	119455359	VDLXNZISLILXQE-RKDXNWHRSA-N	317.374	1.192	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)Cc1ccncc1)c1ccccc1	175783601	VOJKBSZXZZGSDG-MRXNPFEDSA-N	313.357	1.549	50	20	DDGD	
COc1ccccc1[C@H](C)CC(=O)NNC(=O)c1cnn(C)c1	117678492	FLWLRAJAFMDKNU-LLVKDONJSA-N	316.361	1.384	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)COc2cccc3ccccc23)cn1	172082097	LIVYZGZKARIKLK-UHFFFAOYSA-N	324.340	1.413	50	20	DDGD	
O=C(NNC(=O)[C@@H]1Cc2cc(F)ccc2O1)NC1CCCCC1	172592973	PQYSLUTVTCZJQC-AWEZNQCLSA-N	321.352	1.792	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2c(F)cccc2F)n(C)n1	119788036	YELBTXUEPQCOBC-UHFFFAOYSA-N	309.276	1.089	50	20	DDGD	
CNS(=O)(=O)c1ccc(C(=O)NNc2ccccc2)cc1	111552232	HRZMLGIVPSBFQF-UHFFFAOYSA-N	305.359	1.352	50	20	DDGD	
COC(=O)C[C@@H](C)SCC(=O)NNC(=O)c1ccccc1	78816855	UAWDCVJYLVLGRW-SNVBAGLBSA-N	310.375	1.132	50	20	DDGD	
CC[C@@H](C)N(C)CCNC(=O)NNC(=O)c1ccc(C#N)cc1	66196087	WUCIYZGXBWUCEW-GFCCVEGCSA-N	317.393	1.233	50	20	DDGD	
O=C(NNC(=O)c1cc(F)ccc1F)c1ccc2c(c1)OCO2	22599081	PLMLHPSVBMBLPC-UHFFFAOYSA-N	320.251	1.768	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cc[nH]c2)c1C	68229838	XVBWSZJOHKDTJO-LBPRGKRZSA-N	301.346	1.860	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O	178966326	UFSIIRGCSYLBKY-NHAQELONSA-N	317.320	1.491	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H](O)c2ccccc2)cc1	39988797	QSFBNZBKJSWNLF-MRXNPFEDSA-N	314.341	1.255	50	20	DDGD	
CSSCCNC(=O)c1cc(Br)n(C)n1	831501179	JPBCTZRMZUMCAC-UHFFFAOYSA-N	310.242	1.924	50	20	DDGD	
Nc1ccc([N+](=O)[O-])cc1C(=O)NNc1cnc2ccccc2n1	189743828	MGYYWCSPUMBJSZ-UHFFFAOYSA-N	324.300	1.877	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(Cl)c(Cl)[nH]1	123044245	RDNBGBGABWKPNK-UHFFFAOYSA-N	309.153	1.302	50	20	DDGD	
Cc1ccc(-n2cc(C(=O)NNC(=O)c3ccccc3)nn2)cc1	32486334	WQPXYUFZMMUFFA-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)N[C@@H]1CCCOCC1	181817200	GOFCGJHAMQJABZ-LLVKDONJSA-N	316.361	1.681	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(F)c(F)c1F	180967461	UMLHSOAXHHCIHJ-UHFFFAOYSA-N	317.267	1.236	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCc1nnc(C2CCCC2)o1	122281474	JDMHCWQBZKKXGX-UHFFFAOYSA-N	323.422	1.341	50	20	DDGD	
Cc1ccc2c(c1)C(=O)N(CC(=O)NNc1ccccn1)C2=O	181187826	AOTQEQUISDUCOK-UHFFFAOYSA-N	310.313	1.129	50	20	DDGD	
Cc1cc(NNC(=O)c2cnn3c(C)cc(C)nc23)nc(C)n1	129069238	YOJAXBNGVQKZRJ-UHFFFAOYSA-N	311.349	1.510	50	20	DDGD	
COCc1cccc(CC(=O)NNC(=O)Cc2cccnc2)c1	187600542	SKXPVRKHSUNBRB-UHFFFAOYSA-N	313.357	1.161	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cc(-n2cnnn2)ccc1C	183880375	AZCKOYWJDAURCK-SECBINFHSA-N	317.353	1.170	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(-c2cncnc2)cc1F	186572312	MWACWGHRKOYHPY-UHFFFAOYSA-N	303.297	1.199	50	20	DDGD	
Cc1ccnc(NC(=O)NNC(=O)COCc2ccccc2)c1	184257844	LCKCALSKSYKNQE-UHFFFAOYSA-N	314.345	1.760	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)Cn2nc(C)cc2C)cc1	44255218	FPPASMZQHUBDRD-UHFFFAOYSA-N	315.377	1.339	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2ccncc2)nn1-c1ccccc1	180469268	UAGYTDFRPOYVNU-UHFFFAOYSA-N	321.340	1.693	50	20	DDGD	
COCc1ccc([C@@H]2CCCN2CC(=O)NNC(=O)C2CC2)o1	130767850	NKJNKIOPIWBTSC-ZDUSSCGKSA-N	321.377	1.120	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNC(=O)NCc1ccoc1	47089242	DCWBAJUXYUMLMW-UHFFFAOYSA-N	314.301	1.061	50	20	DDGD	
CO[C@H](CNC(=O)NNc1ccc(C)nn1)c1ccc(F)cc1	80595714	UQAJGVBXUNSALP-CYBMUJFWSA-N	319.340	1.938	50	20	DDGD	
CCOc1cccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)c1	83677234	ROAPIUDPLYHGQC-JTQLQIEISA-N	307.419	1.993	50	20	DDGD	
CC(=O)NNC(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1	146433326	XUFRGSJDRJZYDS-SECBINFHSA-N	311.411	1.548	50	20	DDGD	
Cc1c(C(=O)NNC(=O)N(C)C)cnn1-c1ccc(F)cc1	194920359	YRLBEUGAXJHVRI-UHFFFAOYSA-N	305.313	1.236	50	20	DDGD	
CCOCCCCNC(=O)NNC(=O)CCOc1ccccc1	144741033	ABHCTUKONIOTMV-UHFFFAOYSA-N	323.393	1.603	50	20	DDGD	
Cc1ccc(O[C@H](C)C(=O)NNc2ncnc3[nH]cnc23)cc1	97595073	GMRAANFDOUDCAC-SNVBAGLBSA-N	312.333	1.572	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccc([N+](=O)[O-])s2)n1	254393747	NGYSWYRKAIIXGJ-UHFFFAOYSA-N	307.335	1.620	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1C1CCCC1)c1ccccc1	269655198	WCTNKLSSJCZGAE-OAHLLOKOSA-N	301.390	1.855	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)N[C@@H](C)CC(C)C)cc1	269944255	WREAPKRKWKIOMQ-LBPRGKRZSA-N	323.393	1.839	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2O)O1	268203504	GTCYRMRAYKXZEA-JOYOIKCWSA-N	312.753	1.764	50	20	DDGD	
C[C@@H]1CC[C@H](CCC(=O)NNC(=O)COc2ccccc2F)O1	266541931	GVNMBEZUOOADRA-VXGBXAGGSA-N	324.352	1.700	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccc(-n2nccn2)cc1	273468286	HQWSQXKWILECND-UHFFFAOYSA-N	300.322	1.220	50	20	DDGD	
COCCC[C@H](C)C(=O)NNc1nc(-c2cccnc2)no1	272504450	JIGLJKOIJTWRCF-JTQLQIEISA-N	305.338	1.637	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNC(=O)CC2CCCC2)cc1	274076669	PPBUUEHDBSBKAS-UHFFFAOYSA-N	319.361	1.361	50	20	DDGD	
CC(C)N1CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CC1=O	273197414	HTKDMWPXMFWECO-ZROIWOOFSA-N	315.348	1.812	50	20	DDGD	
CCC(CC)[C@@H](C(=O)NNc1ncccc1C)N1CCOCC1	276798798	XYHSBCRLOMEQON-HNNXBMFYSA-N	320.437	1.970	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@H]1CCO[C@@H](C)C1	272113583	RSDODIZLMMREJJ-RYUDHWBXSA-N	322.361	1.037	50	20	DDGD	
CC(C)(C)OC(=O)c1ccc(C(=O)NNC(=O)C2CC2)cc1	271255467	GSAFDVZEWFUTJG-UHFFFAOYSA-N	304.346	1.813	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)[C@@H]1CCCCS1	272963854	MDRFUPJAQMKTCN-ZDUSSCGKSA-N	308.403	1.636	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCc1ncc[nH]1	279203968	NAWRBONNPQIMHN-JTQLQIEISA-N	320.324	1.096	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)[C@@H]2CCCCS2(=O)=O)c1	275090504	USFPZKROIVMZDM-LBPRGKRZSA-N	300.355	1.545	50	20	DDGD	
COC[C@@H](CNC(=O)c1c(C)nn(CCCl)c1C)OC	272917959	KBLSPDHEMBRJFJ-LLVKDONJSA-N	303.790	1.130	50	20	DDGD	
C[C@@H]1C[C@H](CCNC(=O)NNc2nc3ccccn3n2)CCO1	276800204	KHAKWXIAIZZKMN-VXGBXAGGSA-N	318.381	1.561	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C(C)(C)COC)cc1OC	270135907	QEFQEEQSSPKQIA-UHFFFAOYSA-N	324.377	1.528	50	20	DDGD	
O=S(=O)(CBr)NCCc1cccc(F)c1F	272866479	YMYVHZIQOJHQKT-UHFFFAOYSA-N	314.151	1.779	50	20	DDGD	
O=C(NNc1cccnn1)NC1CC(OCc2ccccc2)C1	375133006	BROAGYHLHPMRRS-UHFFFAOYSA-N	313.361	1.851	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	285745029	HHXKZPPSMDEKPA-AWEZNQCLSA-N	317.374	1.839	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1sccc1Cl	285846785	PTCYDZQZIYKLAW-UHFFFAOYSA-N	309.869	1.873	50	20	DDGD	
CCC[C@](C)(CC)C(=O)NNc1nc(O)c2cnn(C)c2n1	280199725	QMYOJEAIYFVSDH-AWEZNQCLSA-N	306.370	1.728	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1cccc(C)n1)c1ccncc1	280265117	LNYWFISWZJLNCJ-CYBMUJFWSA-N	313.361	1.880	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	280855708	BVODQABDZFBEOH-MEBBXXQBSA-N	312.341	1.556	50	20	DDGD	
COCCC1(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)CC1	283785368	SDASCPRHTKHSDI-UHFFFAOYSA-N	313.304	1.934	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H]1C(=O)NNc1cccc(F)c1[N+](=O)[O-]	286947879	FOHYZGVLLSLOLU-YUMQZZPRSA-N	311.269	1.376	50	20	DDGD	
CCC(C)(C)CNC(=O)NNc1ccc(-n2ccnc2)nn1	288669122	MIKAWLNZSDTMLV-UHFFFAOYSA-N	303.370	1.725	50	20	DDGD	
COC1(C(=O)NNc2cc(F)c(F)cc2F)CCOCC1	284699824	DEGPTERIHQYXGQ-UHFFFAOYSA-N	304.268	1.743	50	20	DDGD	
C[C@H](CNC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cccnc1	285127424	NNLXPNMJYYRDFH-SNVBAGLBSA-N	322.365	1.003	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	294039157	DVQZXCBZDZVUHB-UHFFFAOYSA-N	318.333	1.730	50	20	DDGD	
O=C(NCc1cccc2c1OCO2)NNc1ncccc1F	804941201	OZSCRXHPAFMXOV-UHFFFAOYSA-N	304.281	1.776	50	20	DDGD	
CC(C)Oc1ncccc1C(=O)NNC(=O)[C@@H]1CCCCO1	295662745	WDTQTMRVIAQWQX-LBPRGKRZSA-N	307.350	1.199	50	20	DDGD	
CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)NNc1nnc[nH]1	293791301	CNEBLWAATRVSMG-CYBMUJFWSA-N	312.374	1.189	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)c1cccnc1F	806274750	YVVGBRLKWCGFFA-UHFFFAOYSA-N	307.256	1.200	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)c2ncccn2)cc1	802117529	SMGGWSJNPWERNZ-UHFFFAOYSA-N	300.322	1.009	50	20	DDGD	
C[C@H]1CCC[C@@H](OCC(=O)NNC(=O)N=c2cc[nH]cc2)C1	802028221	OLLQFMKAJTUBTD-WCQYABFASA-N	306.366	1.252	50	20	DDGD	
Cn1cnc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)n1	809983383	IYAPLIQSFSDLIT-UHFFFAOYSA-N	301.350	1.187	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNc1nccnc1C1CCC1	805465021	QOKQSHWRSFZQNZ-UHFFFAOYSA-N	300.366	1.851	50	20	DDGD	
COCCN(C)NC(=O)c1cc(Br)ccc1C	297152981	RQVXQABXDACXCN-UHFFFAOYSA-N	301.184	1.981	50	20	DDGD	
O=C(Cc1ncccc1F)NNc1nccnc1C1CCC1	805465902	GUFLBKAAMWKNCJ-UHFFFAOYSA-N	301.325	1.964	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1c(O)cccc1F	804953253	IVSCRZQTASYYEG-UHFFFAOYSA-N	314.280	1.264	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc3c(c2)C(=O)OC3)n1	808884223	VJAKBLDIRCWWAB-UHFFFAOYSA-N	315.289	1.304	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)N=c1cc[nH]cc1)c1cccc(F)c1	802036649	YYHTXJNGQKWWPP-SNVBAGLBSA-N	302.309	1.599	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cccc(F)c2Cl)n[nH]1	806770962	HDTAGXBTHBWAEH-UHFFFAOYSA-N	311.704	1.977	50	20	DDGD	
COc1ccc(NCC(=O)NN=Cc2cnc(OC)s2)cc1	812222847	SMZQPZIRRPXFBW-UHFFFAOYSA-N	320.374	1.723	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)C[C@@H](C)n1cccn1	819389183	KDKXGXNROCQPHG-CYBMUJFWSA-N	300.362	1.533	50	20	DDGD	
CO[C@H]1CCC[C@H](C(=O)NNC(=O)CCc2ccccc2O)C1	814409402	HVCZCULRIOQMJU-KBPBESRZSA-N	320.389	1.677	50	20	DDGD	
COc1ccc(OCC(=O)NN=C[C@](C)(OC)C2CC2)cc1	814721028	ZISUYMJUJDXUKR-INIZCTEOSA-N	306.362	1.991	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2cc(CO)ccc2O)n1	814779329	JRDHDNFDOUPGLW-UHFFFAOYSA-N	305.359	1.342	50	20	DDGD	
Cc1ccc(-c2nc(C(=O)NNc3cnnn3C)cs2)o1	816770716	JCOCDKILDFAYGR-UHFFFAOYSA-N	304.335	1.597	50	20	DDGD	
CC[C@H](C)C(=O)NN=C(C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	811639056	NBSSYKQMWIQZII-QMMMGPOBSA-N	302.334	1.103	50	20	DDGD	
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(N)nc1	814858394	WLBXJWAALOGGSK-UHFFFAOYSA-N	315.289	1.432	50	20	DDGD	
Cn1cnnc1COCC(=O)NNc1ccc2ccccc2n1	815969420	SEYYLVHCLBYBAX-UHFFFAOYSA-N	312.333	1.023	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cccc(CO)c1)c1ccccc1	813445586	BPQCHOHHEMGQOB-UHFFFAOYSA-N	312.369	1.918	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1cnn(-c2ccccc2)c1C	814957062	KSLYKQQWSPYFQL-UHFFFAOYSA-N	322.372	1.987	50	20	DDGD	
CN1C(=O)Cc2cc(C(=O)COC(=O)/C(C#N)=C\C3CC3)ccc21	812595591	IAQHNGRMFKJVEL-NSIKDUERSA-N	324.336	1.791	50	20	DDGD	
C[C@@](C#N)(CC(=O)O)C(=O)NNC(=O)CCCc1ccccc1	819848544	SXYLWZSDKVPYDI-INIZCTEOSA-N	317.345	1.161	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=Cc1cccc(C(=O)O)c1	814864129	QEEQXWUPHTXRIR-UHFFFAOYSA-N	322.324	1.725	50	20	DDGD	
Cc1ccc(N2C[C@H](C(=O)NN(C)C3CC3)CC2=O)cc1F	819643696	KWEWVVJVUAWNJQ-LLVKDONJSA-N	305.353	1.612	50	20	DDGD	
Cn1cccc1C(=O)NN=Cc1ccccc1OCC(=O)O	725845609	BOZFLTRAJWYDGS-UHFFFAOYSA-N	301.302	1.252	50	20	DDGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)c1cnc[nH]1	725877787	KVQGMDUGCRXOBO-UHFFFAOYSA-N	310.766	1.616	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@H](C)Cc1cnc2ccccc2n1	823917661	LTKXNAKXLBOSDM-NEPJUHHUSA-N	302.378	1.152	50	20	DDGD	
CN(C)CCCCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	729509311	HLMSGYQBWNQOJW-UHFFFAOYSA-N	308.338	1.088	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@]2(C)CCC[C@@H]2C)cc1	822222027	QXSIIIYJXIJPJT-SJCJKPOMSA-N	317.389	1.907	50	20	DDGD	
CN(NS(=O)(=O)c1ccc(C#N)s1)C(=O)OC(C)(C)C	496627350	YTJSQZQZPWPYTD-UHFFFAOYSA-N	317.392	1.680	50	20	DDGD	
CCCC(CC)=NNC(=O)COc1ccccc1-c1nn[nH]n1	825233259	OTKWAFQRDGVNOO-UHFFFAOYSA-N	316.365	1.928	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(Br)cc(C)c1C	823425361	RHOIXKMMXZPYBC-UHFFFAOYSA-N	300.156	1.640	50	20	DDGD	
O=C(/C=C\c1cccnc1)NNc1nc(-c2ccncc2)no1	491726615	CLKNBTPBEDFXQP-ARJAWSKDSA-N	308.301	1.683	50	20	DDGD	
C[C@H](CC(=O)O)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	827303962	MPIYLLISLZWLOM-ZCFIWIBFSA-N	319.144	1.865	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)NNC(=O)NC1CC1	496624474	PPBKQXLMJIKPQY-RKDXNWHRSA-N	314.386	1.029	50	20	DDGD	
COC(=O)N1CC(NC(=O)[C@@H](Br)C(C)(C)C)C1	492391684	POFDGMCKXYNGQD-MRVPVSSYSA-N	307.188	1.363	50	20	DDGD	
COc1ccc(CCCCC(=O)NNC(=O)N(C)C)cc1OC	900427467	KURMYKTXBKXYLV-UHFFFAOYSA-N	323.393	1.719	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H]2C[C@H]2c2c(F)cccc2F)cc1	585044033	YLRVOLHOZBCIIG-GXTWGEPZSA-N	317.144	1.538	50	20	DDGD	
COC1(CNCc2ccc(B(O)O)cc2)CCC(F)(F)CC1	585046824	CCCNNOFTRRBZFI-UHFFFAOYSA-N	313.153	1.051	50	20	DDGD	
O=C(NC[C@@H]1CCCCC(F)(F)C1)c1ccc(B(O)O)cc1	584991321	BFQPCUCOYAPTIY-LLVKDONJSA-N	311.137	1.312	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(CNC(=O)C=C(C)C)cc1	491759390	RAQMHJAAGKHGJG-UHFFFAOYSA-N	319.361	1.660	50	20	DDGD	
Cn1cnnc1CCCNC(=O)[C@]1(C)C[C@@H]1Br	908328960	XORAEQZUFSTZHR-GZMMTYOYSA-N	301.188	1.037	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)N[C@@H]1C=CCC1	821092101	JJWOYFJVERRWFU-ZYHUDNBSSA-N	307.325	1.642	50	20	DDGD	
COc1cccc(CC(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1	826215146	HYLHBPKTRVJHAP-UHFFFAOYSA-N	324.344	1.561	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccsc1C(F)F	827869838	MHGSRJRNWOQOBJ-UHFFFAOYSA-N	308.306	1.110	50	20	DDGD	
O=C(NCCC1=CCCCCC1)c1ccc(B(O)O)c(F)c1	584973828	CWJQBQLHCUEKLY-UHFFFAOYSA-N	305.158	1.516	50	20	DDGD	
CCN(CCO)NC(=O)c1cnc(-c2ccccc2F)s1	823852610	LCFCWEVMBKEBGN-UHFFFAOYSA-N	309.366	1.908	50	20	DDGD	
O=S(=O)(c1ccc(Cl)cc1Cl)N1CC[C@H](B(O)O)C1	585055709	DBJQRUWZDFRIKK-ZETCQYMHSA-N	323.994	1.231	50	20	DDGD	
COc1cccc([C@H](C)NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	825686311	GTAYHNCHOYDOJE-WDMOLILDSA-N	321.377	1.512	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@@]1(Cl)C[C@H]2CC[C@H]1O2	906417196	KLVMTYVJVMVVCU-ZDSQKVDBSA-N	313.741	1.039	50	20	DDGD	
Cc1noc2nc(C3CC3)cc(C(=O)NN(C)[C@@H](C)CO)c12	823982817	DWJAPCNSBLSMIW-QMMMGPOBSA-N	304.350	1.366	50	20	DDGD	
CCCN(NC(=O)CN1CCCNC1=O)C(=O)OC(C)(C)C	496434640	HODWNAIONYXMET-UHFFFAOYSA-N	314.386	1.080	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)CO)c1ccc(C(F)(F)F)cc1	588432451	PHOOVDKXVINBED-VURMDHGXSA-N	302.252	1.248	50	20	DDGD	
CCN(CC)C[C@H](C)NC(=O)NNC(=O)Cc1ccccc1F	731403365	ILCJNHDIRJYMKO-LBPRGKRZSA-N	324.400	1.429	50	20	DDGD	
CNC(=O)[C@]1(C)CCN(C(=O)[C@]2(C)C[C@H]2Br)C1	907939757	MCWSJJZHVPDBJR-GGZOMVNGSA-N	303.200	1.145	50	20	DDGD	
CC(C)(C)Oc1cccc(C(=O)Nc2cccc(B(O)O)c2)n1	584912674	UDRSGMDFFJKQTJ-UHFFFAOYSA-N	314.150	1.191	50	20	DDGD	
COC(=O)NNC(=O)CCN(C(=O)OC(C)(C)C)C(C)C	495449435	WPIVOMLPNALCNG-UHFFFAOYSA-N	303.359	1.409	50	20	DDGD	
C[C@@H](c1ccccc1)N(CC1CC1)C(=O)c1ccc(B(O)O)cc1	584936734	MMZAUTASNVFAOX-AWEZNQCLSA-N	323.201	1.980	50	20	DDGD	
CCOC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	733429117	ABUGWAYGNHDMTG-PZHUPROXSA-N	315.329	1.607	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccc(OC(F)F)c(Cl)c1	907628071	VHNOVPPHIKWELE-UHFFFAOYSA-N	322.695	1.473	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2[C@H]3CC[C@H]2COC3)cc(C#N)n1C	491086710	UXWOPQHFWRPVEY-AJTKUPTJSA-N	310.357	1.502	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C2CCC2)cc2c1O[C@@H](C)C2	732143218	XHHQDMXOYDTRHI-VIFPVBQESA-N	304.346	1.580	50	20	DDGD	
CCN(CC(=O)N1CC[C@H](B(O)O)C1)Cc1ccccc1Cl	585064012	LOLKTLBKMFGYRH-ZDUSSCGKSA-N	324.617	1.237	50	20	DDGD	
Cc1ccc(CNCc2ccc(B(O)O)o2)c(OC(C)(C)C)c1	585028156	FNNPQEKIOAUPPM-UHFFFAOYSA-N	317.194	1.735	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1cc([N+](=O)[O-])ccc1C	739409982	LZFRIGVOMIYEND-UHFFFAOYSA-N	306.322	1.669	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCN(c2ccnc(F)c2)CC1	836292299	OMJHYPZVQKWMNF-UHFFFAOYSA-N	323.372	1.130	50	20	DDGD	
C#CCN(CC(=O)NNc1ccccc1)C(=O)OC(C)(C)C	830757705	UBIXUKVKCRHASW-UHFFFAOYSA-N	303.362	2.000	50	20	DDGD	
O=C(NCC1(Cc2ccccc2)CC1)c1cccc(B(O)O)c1	584965170	OWGVSSQSNWORFU-UHFFFAOYSA-N	309.174	1.119	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@@]1(Cl)C[C@H]2CC[C@H]1O2	906483065	ANEZCFPUXACPGD-XJKCOSOUSA-N	322.792	1.696	50	20	DDGD	
CC(C)C[C@H](NC(=O)O)C(=O)NNc1nccnc1Cl	736417984	YYKOBRTVAWWELI-ZETCQYMHSA-N	301.734	1.255	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccccc1N(C)C	831184763	UQHPHCGOMNPVCY-WDEREUQCSA-N	306.366	1.330	50	20	DDGD	
CCN(CC)Cc1ccccc1NCc1ccc(B(O)O)cc1	585013388	SXJJABKQPKQKCO-UHFFFAOYSA-N	312.222	1.820	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC[C@H]2CCCN2C)cc1F	837871827	FTTBVWYBNOKPPC-LLVKDONJSA-N	324.356	1.333	50	20	DDGD	
CC(C)(NC(=O)O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	736337966	ZEALYJADRREFMX-UHFFFAOYSA-N	323.393	1.396	50	20	DDGD	
CC(C)(C(=O)N1CC[C@@H](B(O)O)C1)c1ccc(Cl)cc1F	585064653	SGXBYTJFEBPTGN-SECBINFHSA-N	313.565	1.832	50	20	DDGD	
C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1	585009362	XUBQHQZSJFAPOQ-ABAIWWIYSA-N	305.158	1.370	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNc2ncc(F)cc2F)C1(C)C	838511145	WSZPKTHETCOTTK-UWVGGRQHSA-N	300.309	1.799	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@H]1C[C@H]1c1c(F)cccc1F	734867631	RURMGXWFZKLOPQ-SKDRFNHKSA-N	309.316	1.951	50	20	DDGD	
CC[C@H](NC(=O)c1cccc(B(O)O)c1)c1csc(C)c1	585003233	IPIQXVNPCLMBFZ-AWEZNQCLSA-N	303.192	1.617	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@@H]2CCC[C@@H](C(=O)O)C2)c1	833073934	KMUMAQWXESIXED-CHWSQXEVSA-N	315.329	1.210	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H](C)c2nc(C)cs2)nc1	831290598	KJVSMKXEFHPSBN-SECBINFHSA-N	320.374	1.880	50	20	DDGD	
CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NNc1ccccn1	588391639	LWVGXBFNKBJHLY-HUMZTAOYSA-N	320.418	1.783	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1ccc(O)c(O)c1	916364995	YXHORVWODMLOSM-LBPRGKRZSA-N	305.378	1.670	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CSCc1c(C)noc1C	732084176	PKRIUEVBZLUJJJ-UHFFFAOYSA-N	323.378	1.017	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1ccc2c(c1)nnn2C	737429391	TZLOAVNEOQRBSG-UHFFFAOYSA-N	315.362	1.079	50	20	DDGD	
COc1ccc(O)c(C=NNC(=O)[C@@H](C)CN2CCCCC2)c1	916365080	ZSTJBWKEUUKNGL-ZDUSSCGKSA-N	319.405	1.973	50	20	DDGD	
C[C@@H]1CC=C(C(=O)NNC(=O)Cn2cnc3ccccc32)CC1	836210178	UESSJPZWVVKLDP-GFCCVEGCSA-N	312.373	1.930	50	20	DDGD	
CCn1c(S)nnc1[C@H]1CCCN(S(=O)(=O)CCl)C1	830549785	QRMBQNSGPLDFMS-QMMMGPOBSA-N	324.859	1.292	50	20	DDGD	
CCOc1ccc(C(C)=NNC(=O)[C@H](C)OCCOC)cc1	748253193	MANBBDKEHGYPDG-ZDUSSCGKSA-N	308.378	1.977	50	20	DDGD	
C[C@H](CCN)NC(=O)NNc1cccc(Br)n1	841968544	ZWPXJOOUROUEBD-SSDOTTSWSA-N	302.176	1.208	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(O[C@@H]2CC(=O)N2)cc1	840726406	MYDDTWIMEXRVDG-CFYYFVFUSA-N	301.302	1.294	50	20	DDGD	
COc1ccc2c(c1NC(=O)NNC(=O)CCCN)CCC2	841210998	CRCKGHTVJRKQTC-UHFFFAOYSA-N	306.366	1.076	50	20	DDGD	
CC(C)(N)CNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	841950790	PSSUSDHVEIHYTI-UHFFFAOYSA-N	308.426	1.271	50	20	DDGD	
CC(C)CNC(=S)NNC(=O)[C@H](C)CN1CCCCCC1	747726524	WJUZOPICAQHDBA-CYBMUJFWSA-N	314.499	1.650	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NCCC1CCCCC1	748614183	JBVODPUSAKGFPN-GFCCVEGCSA-N	315.414	1.339	50	20	DDGD	
O=C(CSc1nnc(S)s1)NNC(=O)C1CCCC1	747359363	ITQRVHIDQAWKBV-UHFFFAOYSA-N	318.449	1.257	50	20	DDGD	
CCCCO[C@H]1C[C@@H](NC(=O)NNC(=O)COCC)C1(C)C	748970808	OIRUMXQHHZKGMB-NEPJUHHUSA-N	315.414	1.337	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNC(=S)NCC1CCC1	912105616	GJOWMUXNPVEZRG-TVQRCGJNSA-N	321.450	1.371	50	20	DDGD	
CO[C@@H](CC(=O)NNC(=O)Cc1ccc(F)cc1)C(F)(F)F	845088155	JFIDOLWZKSNLSQ-JTQLQIEISA-N	322.258	1.483	50	20	DDGD	
CCC(C)(C)N1CCN(C(=O)/C(C#N)=C\c2cnn(C)c2)CC1	848300288	DQPYAJFRAMOGEL-GDNBJRDFSA-N	315.421	1.660	50	20	DDGD	
COC(=O)Nc1ccccc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843976899	ZUHGASBVTNTONF-VHSXEESVSA-N	321.333	1.051	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ncccn1)[C@@H]1C[C@H]2CC[C@H]1C2	842170791	CBTLTTAQGHQVLK-RHYQMDGZSA-N	303.366	1.245	50	20	DDGD	
CNCCCNC(=O)NNc1ccc(Br)c(F)c1	841916440	AOWZKTCIGUNNQW-UHFFFAOYSA-N	319.178	1.824	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)c2cnn(CCF)c2)cc1	846376195	UJZRFSWVBOATSP-UHFFFAOYSA-N	320.324	1.325	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H](C)C(F)(F)F	742478952	XUVACBYJKPTTMR-YUMQZZPRSA-N	322.258	1.939	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)COCc2ccccc2)CS1	840420186	RFPZOOAUWPZJCN-WCQYABFASA-N	323.418	1.428	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)[C@@H]1CCc2ncncc2C1	843848842	IRNLTOYNXBETCQ-SECBINFHSA-N	303.753	1.773	50	20	DDGD	
COC[C@H](CNC(=O)NNc1c(F)cc(F)cc1F)OC	921876092	QAJVMCYLAOLOKF-QMMMGPOBSA-N	307.272	1.391	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)Nc1cnn(C(F)F)c1	757867875	YHTYKVPDHNXCRS-UHFFFAOYSA-N	311.248	1.450	50	20	DDGD	
CO[C@@]1(C)C[C@H]1NC(=O)NNC(=O)C(C)(C)c1ccccc1	852082397	LAJKRDQYLMXFCG-WBMJQRKESA-N	305.378	1.472	50	20	DDGD	
CCC(C#N)(CC)C(=O)NNc1nc(-c2cccnc2)no1	859315159	GWPVKDBBSYNPCA-UHFFFAOYSA-N	300.322	1.905	50	20	DDGD	
CCc1nocc1C(=O)NNC(=O)COc1cc(C)cc(C)c1	854190839	LJNMUGXUMSXOJW-UHFFFAOYSA-N	317.345	1.694	50	20	DDGD	
CC[C@@H]1CCCC1=NNC(=O)CSc1nnc(O)nc1O	758374288	QVFKTUIXZONARS-SSDOTTSWSA-N	311.367	1.057	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)CCc1cncc(C)c1	854285211	JCIMGNUYACMQCR-UHFFFAOYSA-N	324.450	1.197	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2c(F)cccc2F)nc1	759739616	RAUXZWZNXPBHCB-UHFFFAOYSA-N	307.256	1.903	50	20	DDGD	
C=CCCCCCCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1	858465144	BJHBLIWXARIYCY-GFCCVEGCSA-N	310.398	1.122	50	20	DDGD	
CCN(CC)CCNC(=O)NNc1ccc([N+](=O)[O-])cc1F	853200558	MECUJJPDJUXZIN-UHFFFAOYSA-N	313.333	1.702	50	20	DDGD	
Cc1ccc(OCC(=O)NN=C2CN(C3CC3)C[C@@H]2C)cc1	755886734	DEQJEJLTODXTAG-ZDUSSCGKSA-N	301.390	1.960	50	20	DDGD	
CO[C@@]1(C)C[C@H]1NC(=O)NNC(=O)c1ccc2ccccc2c1	851964138	XFXUDWLPHWAULE-PBHICJAKSA-N	313.357	1.961	50	20	DDGD	
C=CC[C@@H]1CCCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1	852408839	BPABXRQRBNPWNE-CYBMUJFWSA-N	319.380	1.875	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CCc3c[nH]nc3C2)cc(C#N)n1C	750793475	GZMMLGNKDALYJN-RZNTYIFUSA-N	320.356	1.420	50	20	DDGD	
O=C(CCSc1ccccn1)NNC(=O)OCC(F)(F)F	856021759	SCGSYPJNFIZCSU-UHFFFAOYSA-N	323.296	1.884	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCCC2(O)CCC2)c1	858549239	RTQNQEUTNIARKO-UHFFFAOYSA-N	311.407	1.696	50	20	DDGD	
Cc1c([C@H](C)NCC(=O)NNC(=O)C2CC2)oc2ccccc12	754629171	IJIGPNDNSFDFMH-NSHDSACASA-N	315.373	1.949	50	20	DDGD	
COC1(C(=O)NNC(=O)c2c[nH]c3ccccc23)CCCC1	754174181	PZSIZFQZQBTUPJ-UHFFFAOYSA-N	301.346	1.888	50	20	DDGD	
C[C@H](N)CCNC(=O)NNC(=O)Nc1cc(F)cc(F)c1	857109518	MSGFCLOIYCMFNR-ZETCQYMHSA-N	301.297	1.038	50	20	DDGD	
CCCn1nccc1C(=O)NNC(=O)c1ccc(CC)cc1	854216350	ZVEFMPPMVPUFNT-UHFFFAOYSA-N	300.362	1.930	50	20	DDGD	
N#Cc1ccc(CC(=O)NNC(=O)OCC(F)(F)F)cc1	856024121	JEBIYJZNUGRSRY-UHFFFAOYSA-N	301.224	1.420	50	20	DDGD	
COC(=O)N1CCC(NC[C@]2(C)C[C@@H]2Br)CC1	856807249	MPLVYEFROYSNOW-JQWIXIFHSA-N	305.216	1.980	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12	750937048	PJKQQTNFYDKGOD-VOAKCMCISA-N	315.373	1.938	50	20	DDGD	
OB(O)c1ccccc1CNc1ccc(Cn2cccn2)cc1	864026322	FBNJPJWUDICKFT-UHFFFAOYSA-N	307.162	1.223	50	20	DDGD	
C[C@@H]([C@H](C)C(=O)NNc1cccc(F)c1Cl)S(C)(=O)=O	862506527	AWXUASFSGUEJQJ-YUMQZZPRSA-N	322.789	1.991	50	20	DDGD	
CCCN(C)c1ccccc1NC(=O)C(=O)NNC(=O)OCC	861806927	RTXJAECEJOUXAG-UHFFFAOYSA-N	322.365	1.249	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H]1CCCNC1=O	868886740	VWDMJCKCHWGQEH-MRVPVSSYSA-N	311.773	1.223	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@@H]1CCCC12OCCO2	863098389	GRHNUPKBZFFYOK-ZETCQYMHSA-N	318.242	1.348	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@H]1Cc1ccccc1)c1cn[nH]c1	862466249	FBZGSIYZJXDWLS-ZFWWWQNUSA-N	312.373	1.830	50	20	DDGD	
COCCCn1cc(C(=O)NNc2ncc(F)cc2F)cn1	861940331	QFWALQIOBGAWSS-UHFFFAOYSA-N	311.292	1.350	50	20	DDGD	
CC(C)c1nn(C)cc1C(=O)NNCC(F)(F)C(F)(F)F	863093409	LEDIBQXLVRULGF-UHFFFAOYSA-N	314.258	1.976	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2cc3n(n2)CCCO3)c1	762221025	JWMJHQXYAVBPLC-UHFFFAOYSA-N	318.724	1.343	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccc(C(=O)NC2CC2)cc1	764616544	UFMFGGAWEODKTE-UHFFFAOYSA-N	302.334	1.142	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(N2C[C@H](C)O[C@H](C)C2)cc1	864430501	ZHWJPOSJAUYFNK-TXEJJXNPSA-N	321.377	1.691	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=S)Nc2ccccn2)cn1	768579727	WHYVLWQGPQJEAK-UHFFFAOYSA-N	316.390	1.174	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)c2cnn(C)c2)c(Cl)c1	762177611	HRHBUROVRZVMJA-UHFFFAOYSA-N	306.753	1.386	50	20	DDGD	
COCCOCC(=O)NNC(=O)C1(CC(C)C)CCCC1	869907642	CLWBIVRVTASQIT-UHFFFAOYSA-N	300.399	1.403	50	20	DDGD	
Cc1nccn1CCCN(C)[C@H](C)C(=O)NNC(=O)CC(C)C	767443126	IKCPLCGSPUMGDE-CYBMUJFWSA-N	323.441	1.095	50	20	DDGD	
CC/C(=C\C(=O)NNC(=O)COCCOC)c1ccc(C)cc1	869910533	UNPKENTWGXRXKJ-SDNWHVSQSA-N	320.389	1.599	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cnn(C(F)F)c1)C1CC1	869219544	YKVGDLDBHJYBJJ-ZCFIWIBFSA-N	303.338	1.186	50	20	DDGD	
CCC(=O)c1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)cc1	861796506	GTHNXIWPGNQKAL-UHFFFAOYSA-N	319.361	1.411	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(F)cc1OC(C)C	763438972	YMMPCXCTPFSZQJ-UHFFFAOYSA-N	311.313	1.109	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1	1116686921	QYYYCGAQQTXNMK-MNOVXSKESA-N	313.398	1.485	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CCc2cncn2C)c1	873777691	XLRJLDQSFUVRNU-UHFFFAOYSA-N	317.418	1.679	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@H]1C[C@@]12CCOC2)c1ccccc1	763468176	UKKDCXBUVFPOSK-CXAGYDPISA-N	302.374	1.538	50	20	DDGD	
COCc1ccc(S(=O)(=O)NNC(=O)c2ccccc2)cc1	774607641	GTKXXVZUQSBSLV-UHFFFAOYSA-N	320.370	1.456	50	20	DDGD	
C[C@@H]1CC[C@@H](C(=O)NNC(=O)Cc2cn3ccccc3n2)C1	776334505	SRDNFROOCVVNSX-VXGBXAGGSA-N	300.362	1.460	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1cccnc1Br	872383154	ACMFEOYJNLWTKY-PSASIEDQSA-N	312.167	1.719	50	20	DDGD	
CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NCCCSC#N	773570269	BUXHOOLXHBZLOX-JTQLQIEISA-N	315.464	1.655	50	20	DDGD	
CCC[C@H](C(=O)NNc1ncnc2[nH]cnc12)c1ccccn1	774428230	AGWVAIMLRQRZAM-JTQLQIEISA-N	311.349	1.775	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)Cc1cccc(F)c1	771867513	KRXXDRNUQVICAS-NSHDSACASA-N	324.352	1.493	50	20	DDGD	
Cc1csc(=O)n1CCC(=O)NNc1nccnc1C(C)C	772867610	UXZRSUXQTDJXSE-UHFFFAOYSA-N	321.406	1.665	50	20	DDGD	
C[C@H](CBr)COC(=O)Cn1ccc([N+](=O)[O-])n1	770342856	KYHGBOBLIFHNNZ-SSDOTTSWSA-N	306.116	1.366	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H]1CCO[C@@H](C)C1	776340268	YGYJOKJYBGTGNZ-JQWIXIFHSA-N	316.361	1.219	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cccnc1N(C)C	772841268	OPYGCHCUNMJZBI-UHFFFAOYSA-N	300.366	1.818	50	20	DDGD	
C[C@H](OC1CCCCCC1)C(=O)NNC(=O)c1cccnn1	882058011	LLIRASAOBQOHIX-NSHDSACASA-N	306.366	1.366	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)CC(F)(F)F)cc(O)n1	775602634	NMGDYFFSKMWRSX-UHFFFAOYSA-N	305.256	1.624	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1	772846818	CSUNQYAYMUQKBF-LLVKDONJSA-N	319.409	1.690	50	20	DDGD	
C#CCCCC(=O)NNC(=O)COc1ccc(OCC)cc1	887139468	QJAMJXQCBFNGGX-UHFFFAOYSA-N	304.346	1.415	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cccc3nccn23)cc1	770641339	ZHRMRUNYFAOQCH-UHFFFAOYSA-N	324.340	1.483	50	20	DDGD	
CCCC[C@H](NC(=O)NNC(=O)c1cccnn1)C1CCC1	883851579	VIOCTMJMQHBWDV-LBPRGKRZSA-N	305.382	1.780	50	20	DDGD	
CC[C@H](C)Oc1ccc(C(=O)NNC(=O)c2cccnn2)cc1	882057467	DIDFDXDNUHJQAI-NSHDSACASA-N	314.345	1.729	50	20	DDGD	
O=S(=O)(CCCCl)Oc1ccc(-n2cncn2)cc1	881909821	UBOXKFREOLUYGV-UHFFFAOYSA-N	301.755	1.605	50	20	DDGD	
O=S(=O)(CBr)Oc1cccc(-n2cccn2)c1	782449831	ORKNUQWHSRNZED-UHFFFAOYSA-N	317.164	1.933	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCC[C@](C)(C#N)C1	784307641	IPBQFBNPCXVQPD-MRXNPFEDSA-N	316.361	1.675	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C1(SC)CC1	788698809	LGNZCVYEWGQFLP-UHFFFAOYSA-N	324.402	1.507	50	20	DDGD	
CC1=NO[C@@](C)(C(=O)NNC(=O)c2c[nH]c3ccccc23)C1	1120521872	WSPRVMXLOZZIRJ-OAHLLOKOSA-N	300.318	1.484	50	20	DDGD	
O=C1CCCN1[C@H]1CCCN(S(=O)(=O)CCCCl)CC1	882265218	RAKBAPRMSOAVSH-LBPRGKRZSA-N	322.858	1.422	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@H]1CC(C)(C)OC1(C)C	781917971	OUSNVGZQGRXABL-NEPJUHHUSA-N	313.442	1.504	50	20	DDGD	
O=C(NCc1cccc2c1OCCO2)NNC(=O)C1CCCC1	1122108669	MUKVEAPONSVIDH-UHFFFAOYSA-N	319.361	1.478	50	20	DDGD	
Cn1c(=O)oc2c(NS(=O)(=O)CCCCCl)cccc21	788061916	HNYJPMQKZQJASA-UHFFFAOYSA-N	318.782	1.892	50	20	DDGD	
COc1ccc(CC(=O)NNc2ccnc(N(C)C)n2)c(C)c1	895276356	PSQKJAFOHFLUPU-UHFFFAOYSA-N	315.377	1.545	50	20	DDGD	
CC(C)[C@@H]1C[C@H](C(=O)NNC(=O)c2ccccc2O)CCO1	891808150	DHXABLBSQPNLSC-RISCZKNCSA-N	306.362	1.604	50	20	DDGD	
CCO[C@H]1C[C@H](N(C)S(=O)(=O)CBr)C1(C)C	782452517	CNEDKIUIVXJFCM-IUCAKERBSA-N	314.245	1.804	50	20	DDGD	
COc1ccc(NNC(=O)CCOc2ccc(C=O)cc2)nc1	781524914	BGASLJSJZIJAIU-UHFFFAOYSA-N	315.329	1.815	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)C(C)(C)C(C)C)c1	784322492	JSDURXRLIKIVOF-UHFFFAOYSA-N	320.389	1.981	50	20	DDGD	
Cc1nc(NC(=O)NNC(=S)NCCc2ccccc2)no1	781112549	SDCYVOPGMFRTNQ-UHFFFAOYSA-N	320.378	1.121	50	20	DDGD	
C=CCCN(OCc1ccccc1)[C@@H](C)C(=O)NNC(=O)CC	782669776	TZDQXEFDIJTLJJ-AWEZNQCLSA-N	319.405	1.942	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)NNc2ccccc2S(C)(=O)=O)C1	780787948	UAGAROZXYFPHSX-MNOVXSKESA-N	311.407	1.905	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1ccc2n[nH]cc2c1	794939491	JNTDRQYPOKEBAF-UHFFFAOYSA-N	300.366	1.244	50	20	DDGD	
CC(=NNC(=O)CC(F)(F)F)c1ccc2c(c1)OCC(=O)N2	794895589	FQCCHSSWFQKNDA-UHFFFAOYSA-N	315.251	1.810	50	20	DDGD	
COc1ccc(C=NNC(=O)C(C)(C)O)c(Br)c1	794932157	BNMDHSJCSKUPIJ-UHFFFAOYSA-N	315.167	1.679	50	20	DDGD	
CCc1cccc(C(=O)NNC(=O)NCC(F)(F)F)c1O	798314638	UONBECHIOIHHEI-UHFFFAOYSA-N	305.256	1.461	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1ccnn1-c1ccccc1	799109418	CSZCFNYJBUNTQB-UHFFFAOYSA-N	313.361	1.638	50	20	DDGD	
COc1cc(NNC(=O)c2ccc(C(N)=O)o2)ccc1Cl	790174593	FJOVIHKRHAHOGZ-UHFFFAOYSA-N	309.709	1.797	50	20	DDGD	
Cc1ccc2c(c1)CC[C@H](C(=O)NNC(=O)c1c[nH]nc1C)O2	793456630	YOCYALUOZDFANY-CQSZACIVSA-N	314.345	1.181	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2ccc([N+](=O)[O-])c(O)c2)n1	794566895	OMNBJPFDFWJUIU-UHFFFAOYSA-N	300.274	1.768	50	20	DDGD	
COC(=O)C[C@@H]1CCC(=NNC(=O)c2sc(N)nc2C)[C@H]1C	794489689	ZUICOEWNFIBEQF-CBAPKCEASA-N	324.406	1.729	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1cn(C(C)(C)C)nn1	790158370	XJONBQVXXUZQMO-UHFFFAOYSA-N	315.377	1.735	50	20	DDGD	
C=C(CBr)COC(=O)c1ccc(=O)n(CC)n1	795507689	WSXZCHAUIRXKOS-UHFFFAOYSA-N	301.140	1.371	50	20	DDGD	
C=C[C@@H](NNC(=O)c1ccc(Br)s1)C(=O)OC	799976831	WWSPTFYFXGOLPX-ZCFIWIBFSA-N	319.180	1.473	50	20	DDGD	
Cc1nccc(NC(=O)NNc2ccc3c(=O)[nH]ccc3c2)n1	794292798	SFXYDTMHSCEEFM-UHFFFAOYSA-N	310.317	1.775	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)C[C@H]1CCCOC1	792822893	OTGYJNZKWQGFTD-GFCCVEGCSA-N	310.781	1.847	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)Cc1ncccc1F	792237909	NUEQDDDMFRJDCA-UHFFFAOYSA-N	323.349	1.310	50	20	DDGD	
Cc1cccnc1NNC(=O)CSc1nnc(S)s1	791215074	OHQIPODCLPJFKV-UHFFFAOYSA-N	313.433	1.766	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1occ2c1CCC2	796320328	NWTGBKVTFPQHCM-UHFFFAOYSA-N	300.314	1.852	50	20	DDGD	
O=C(C[C@@H]1CCCO1)NNC(=O)c1cncn1-c1ccccc1	1317907716	ZGLKDZYUAKWDMC-ZDUSSCGKSA-N	314.345	1.202	50	20	DDGD	
COc1cc(F)cc(F)c1S(=O)(=O)NNC(=O)C(C)(C)C	1318962299	LWOIBZRXHSCQSV-UHFFFAOYSA-N	322.333	1.329	50	20	DDGD	
CC1CCC(N2C[C@@H](C(=O)NNc3ccn(C)n3)CC2=O)CC1	1324864570	MPOYGFCOGZJJPB-CPCZMJQVSA-N	319.409	1.290	50	20	DDGD	
COc1cnc(C(=O)NNc2cncc(Br)c2)nc1	1327850934	LLIMCQIPZZALEO-UHFFFAOYSA-N	324.138	1.400	50	20	DDGD	
C=CCCc1ccccc1NC(=O)NNC(=O)C1CCNCC1	1325281155	ASAKDLUCLAEZGE-UHFFFAOYSA-N	316.405	1.958	50	20	DDGD	
C[C@]1(CNC(=O)N2CC(O)(C3CC3)C2)C[C@H]1Br	1328572672	HDNLKLUXLZCBQW-MWLCHTKSSA-N	303.200	1.326	50	20	DDGD	
O=C(NNC(=O)c1c(F)ccc(O)c1O)c1ccccc1Cl	1321014173	KIXOLYVRQGMBRJ-UHFFFAOYSA-N	324.695	1.965	50	20	DDGD	
CN(C)[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1cnn(C)c1	1327932066	KLCXNHQKYNZVPQ-CDWBCPPQSA-N	301.394	1.316	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)COc1cc(C)ccc1C	1336752527	YBDVFWUMVPKLOC-ZIAGYGMSSA-N	320.389	1.645	50	20	DDGD	
COc1cc(F)cc(NNC(=O)COCc2ccncc2)c1	1330129027	WGAWNQXCSWOSJY-UHFFFAOYSA-N	305.309	1.889	50	20	DDGD	
C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)NNC(=O)c1cn[nH]c1	1261791853	CVCLKFQBERRISO-POYBYMJQSA-N	305.260	1.037	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@@H]1CCCCCN1	1262600473	CMEAJMIEGDVTBG-LBPRGKRZSA-N	320.393	1.171	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)n1	1607858309	OFKLYYCJXJDYIT-VTPLQMEGSA-N	301.346	1.746	50	20	DDGD	
O=C(NNC(=O)C12CC(C(=O)O)(C1)C2)c1cccc(Cl)c1	1601553673	PXDXERXJQUYLOM-UHFFFAOYSA-N	308.721	1.356	50	20	DDGD	
O=C(O)CC1CC(=NNC(=O)c2cc(Br)c[nH]2)C1	1601940783	MZCFZPWRYFOBAW-UHFFFAOYSA-N	314.139	1.748	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cc(C(=O)O)n(C)c2)cc1	1600463364	USXKBZFZAQZVDL-UHFFFAOYSA-N	316.317	1.114	50	20	DDGD	
COCCn1cc(NC(=O)NNc2cccc(C(=O)O)c2)cn1	1606931834	UTEXBECHJVKEDY-UHFFFAOYSA-N	319.321	1.376	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NNc1ccc(C(=O)O)cc1OC	1610033122	CDNFXSMGAUQEEW-CSKARUKUSA-N	305.290	1.280	50	20	DDGD	
O=C(C[C@@H]1CCCC(=O)N1)NNc1ccc(F)c(C(=O)O)c1	1610650382	DSNGGZPSOMOWPD-QMMMGPOBSA-N	309.297	1.026	50	20	DDGD	
O=C(O)C(=O)NN=Cc1ccc(OCc2cccc(F)c2)cc1	1610714114	HUELKYKINHRNHH-UHFFFAOYSA-N	316.288	1.939	50	20	DDGD	
O=C(O)CSCCNC(=O)NNc1cccc(Cl)n1	1610790126	JYQHKSSMDVLRSB-UHFFFAOYSA-N	304.759	1.179	50	20	DDGD	
I[C@@H]1COC[C@H]1OCC1CCOCC1	158395518	XTTHBDCSKYVJCH-NXEZZACHSA-N	312.147	1.632	50	20	DDGD	
CC(C)(C)[C@@H](C(=O)O)C(=O)NNC(=O)c1ccc(Cl)cc1	1573391126	RXKXUGIIWQNFOX-SNVBAGLBSA-N	312.753	1.848	50	20	DDGD	
CC[C@@H]1NCC[C@H]1C(=O)NNc1cc(Br)ncn1	1577308650	OYSHRGKIOVYVJQ-SFYZADRCSA-N	314.187	1.070	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1cccc2oc(O)nc12	1574820630	UGFMCIYZPRGTAL-UHFFFAOYSA-N	314.257	1.384	50	20	DDGD	
CCc1ncc(Cl)c(C(=O)NNc2ncccc2C(=O)O)n1	1573963788	COCBDIIZCKSRMJ-UHFFFAOYSA-N	321.724	1.543	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C[C@H](N)CC(C)C)c(C)c1	1579724360	VXGTXZUHTHHJBJ-CQSZACIVSA-N	320.437	1.626	50	20	DDGD	
O=C(NNc1cc(O)nc2ncccc12)[C@H]1C[C@@]12CCCNC2	1580737289	NDJOJHCLUXQEID-BDJLRTHQSA-N	313.361	1.168	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)c1ccnc(-c2ccco2)c1	1580736583	YMCMSYGSJTVGRA-UHFFFAOYSA-N	314.345	1.102	50	20	DDGD	
Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNc1cccnc1Cl	1580464842	CQYFTJVPKCIILT-UHFFFAOYSA-N	318.728	1.309	50	20	DDGD	
CC1(C)C[C@]1(C(=O)O)C(=O)NNc1cnnc2ccccc12	1589219080	IGHFXUGOJOKIPT-OAHLLOKOSA-N	300.318	1.574	50	20	DDGD	
CC(C)(C)CC(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1	1841349737	LGTZRMCOJZBPFE-LLVKDONJSA-N	316.829	1.226	50	20	DDGD	
CC1CCC(C)(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)CC1	1590225284	LMRRCLUWTWTXTE-UHFFFAOYSA-N	315.381	1.921	50	20	DDGD	
CC[C@@H](C)[C@@H](C=NNC(=O)c1cccc(-c2nn[nH]n2)c1)OC	1590401651	WNUWWDYPQOZIKD-ZWNOBZJWSA-N	316.365	1.643	50	20	DDGD	
O=C(CCc1ccco1)NNC(=O)C1(C(=O)O)CCCCCC1	1594690425	RHEWPYDWVNTFGS-UHFFFAOYSA-N	322.361	1.785	50	20	DDGD	
COc1ccc(NCC(=O)NN=C2CCC[C@H](C(=O)O)C2)cc1	1599596864	CCPITRYATKIBBW-NSHDSACASA-N	319.361	1.854	50	20	DDGD	
C#CC(=O)NC1(c2ccc(NC(=O)[C@H](O)CCl)cc2)CCC1	1786138917	ZERHFAZUONEPOJ-CYBMUJFWSA-N	320.776	1.353	50	20	DDGD	
Cc1cccc2c(=O)n(CC(=O)NN(C)c3ccccc3)cnc12	16236623	OCBXXYSSPODRDJ-UHFFFAOYSA-N	322.368	1.873	50	20	DDGD	
C[C@H]1CCCCN1CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	16484608	VSXFZXYWAXJOHG-NSHDSACASA-N	320.349	1.230	50	20	DDGD	
O=C(CN1C[C@@H]2CCC[C@H]2C1)NNC(=O)c1ccc(F)cc1	153239806	KXVMEGVFXWMYFJ-STQMWFEESA-N	305.353	1.319	50	20	DDGD	
COc1ccc(NNC(=O)c2cnc(C)cn2)c([N+](=O)[O-])c1	155193495	HFWKDMVJUCPIOI-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CC(F)(F)F)cc1C	120094580	IXUVBMJOVKXABN-UHFFFAOYSA-N	304.268	1.782	50	20	DDGD	
O=C(NNC(=O)c1csc([C@H]2CCCO2)n1)c1cccnc1	157788492	IPBZINSQBXABKJ-LLVKDONJSA-N	318.358	1.464	50	20	DDGD	
Cn1c(=O)[nH]c2cc(C(=O)NNc3cccc(F)c3)ccc21	154585173	KMZOYGJYBOBGGJ-UHFFFAOYSA-N	300.293	1.763	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@](C)(C(N)=O)c1cccc(Cl)c1	159817192	JSQGMEBNPQJWQR-KVPUOBJLSA-N	321.764	1.601	50	20	DDGD	
COc1ccc(NNC(=O)CCNC(=O)c2cccs2)nc1	159517731	HQCQVZVZGRJDSI-UHFFFAOYSA-N	320.374	1.415	50	20	DDGD	
COCCOCC(=O)NNc1ccc(OC(F)(F)F)cc1	159511302	BLKFONAWVWIBLJ-UHFFFAOYSA-N	308.256	1.691	50	20	DDGD	
CN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)CCCCl	36881701	BNFKAJVTPXACJZ-LLVKDONJSA-N	319.810	1.717	50	20	DDGD	
CN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(CCl)cc1	380164179	ZYOZZXIPBJDFDU-UHFFFAOYSA-N	316.810	1.325	50	20	DDGD	
Cc1cn(C)nc1C(=O)N(C)NC(=O)OCc1ccccc1	862289877	ZNYMRDIXHLAOIO-UHFFFAOYSA-N	302.334	1.642	50	20	DDGD	
N#CCOc1ccccc1C(=O)NNC(=O)CNc1ccccc1	104829285	TYWXLRNLLPFDGC-UHFFFAOYSA-N	324.340	1.462	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC(C)(C)C)c2c(C)nn(C)c2n1	103198460	YXRTUEKHJUSVBX-UHFFFAOYSA-N	317.393	1.782	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C(C)(C)C#N	54883055	BQNVXETVNXOVPL-UHFFFAOYSA-N	305.334	1.161	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1CC(=O)N(CC)C1)c1ccccc1	110344254	WSXIJWPSIPKMNI-KGLIPLIRSA-N	317.389	1.196	50	20	DDGD	
O=C(CCCc1ccccn1)NNC(=O)c1ccc(Cl)nc1	104852873	NKQFPWGQKPDOEG-UHFFFAOYSA-N	318.764	1.914	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc(Br)c[nH]1	28716510	RIQZCJLXFJXPOM-UHFFFAOYSA-N	319.228	1.685	50	20	DDGD	
COC(=O)c1c(C)[nH]c(C(=O)NNc2ccc(Cl)nn2)c1C	118499665	IJWGNSMNYWXZJV-UHFFFAOYSA-N	323.740	1.618	50	20	DDGD	
CCc1ncc(C(=O)NNc2nc(-c3ccncc3)no2)s1	102786852	ZNYUGEITBZMTNW-UHFFFAOYSA-N	316.346	1.907	50	20	DDGD	
CCC(CC)N1C[C@@H](C(=O)NNc2cc(C)ncn2)CC1=O	172276947	HAAHTZVJTVLWNT-NSHDSACASA-N	305.382	1.265	50	20	DDGD	
CCCCOCC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	118192024	GHQJDXHSYBQEJP-LLVKDONJSA-N	312.341	1.557	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(Cl)cn2C)c(O)c1	24233675	BXKYFKGGPHTPRK-UHFFFAOYSA-N	307.737	1.767	50	20	DDGD	
CC(C)COCCC(=O)NNC(=O)NCCc1cccs1	65199239	BFNBGVVDNLQMET-UHFFFAOYSA-N	313.423	1.684	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)cn1	117678346	ZIZOWMRDHQYGRM-VXGBXAGGSA-N	320.299	1.263	50	20	DDGD	
CN1C(=O)CCc2cc(NC(=O)NNC(=O)C(C)(C)C)ccc21	179844572	CRKDNDZIEAGENL-UHFFFAOYSA-N	318.377	1.794	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2cccc([N+](=O)[O-])c2)nn1	171557452	VSCXPPWBBSZQTA-UHFFFAOYSA-N	302.294	1.520	50	20	DDGD	
CN(Cc1cn(C)nc1C(F)(F)F)S(=O)(=O)CCl	830929647	SCJZXSGTBOENCF-UHFFFAOYSA-N	305.709	1.397	50	20	DDGD	
Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1ccc[nH]1	120148826	XURZOGPNXPYPRC-UHFFFAOYSA-N	307.737	1.817	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccc(C)s1)N1CCCC1=O	175699462	XBZLFDVUPQSBHC-SNVBAGLBSA-N	309.391	1.219	50	20	DDGD	
Cn1cc(CCC(=O)NNC(=O)NCC2CC2)c2ccccc21	127727960	FHUKNVLSHJEWQE-UHFFFAOYSA-N	314.389	1.851	50	20	DDGD	
O=C(CCc1ccccn1)NNC(=O)c1ccc(Cl)nc1	63243022	VWZSVQWUKDPFPA-UHFFFAOYSA-N	304.737	1.524	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)c1ccc(C#N)cc1)c1ccccc1	61463303	KJBNQOFWRDCSOB-OAHLLOKOSA-N	309.325	1.707	50	20	DDGD	
C[C@H]1CC[C@H](C)N1[C@@H](C)C(=O)NNC(=O)NCc1ccco1	129887313	SZRRCRBQDCUGSG-SRVKXCTJSA-N	308.382	1.371	50	20	DDGD	
CC[C@@H](CCO)NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	305360518	MKXGXTVPVJDHDN-GUNGLEHYSA-N	300.362	1.389	50	20	DDGD	
C#C[C@@H](C)NC(=O)NNC(=O)c1cc2c(s1)CCCCC2	186001657	FCSFBMNFYZDAPN-SNVBAGLBSA-N	305.403	1.983	50	20	DDGD	
CCOC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2ccccc2)C1	30549100	NNEWNPFTSXJWEV-CYBMUJFWSA-N	319.361	1.316	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Nc2ccc(F)c(F)c2F)cn1	182737770	RLIUUFDCXRRUDN-UHFFFAOYSA-N	313.239	1.304	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCC(=O)NC(C)C)cc1	79133085	HWNGOVZTEMXAIV-UHFFFAOYSA-N	320.393	1.108	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NC[C@H]1CCCS1	125523049	MRRYNYBORAAXKC-CYBMUJFWSA-N	307.419	1.845	50	20	DDGD	
CN(C(=O)/C(C#N)=C\c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1	181841037	KRDIJFSNBHYTOM-UNJUUPHPSA-N	322.361	1.378	50	20	DDGD	
CC[C@H]1CCCC[C@H]1OCC(=O)NNC(=O)c1ccncc1	184520927	HRSHZSRZNKTGQS-GXTWGEPZSA-N	305.378	1.828	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(F)ccc1Cl	124713516	WURPXDIJBVPUBC-ZETCQYMHSA-N	315.732	1.611	50	20	DDGD	
O=C(Cc1c[nH]c2ccc(F)cc12)NNc1ncc(F)cn1	122799357	BCYAETRSEWNCGN-UHFFFAOYSA-N	303.272	1.922	50	20	DDGD	
C[C@@H]1CCC[C@@H](NC(=O)NNC(=O)Cc2cccnc2)CC1	187976568	CCKKZCSMQGMOIK-TZMCWYRMSA-N	304.394	1.923	50	20	DDGD	
Cc1ccc(-c2cncc(C(=O)NNC(=O)CN(C)C)c2)cc1	136638091	SNGAOCNLHAVUBL-UHFFFAOYSA-N	312.373	1.380	50	20	DDGD	
CC[C@@H](C)[C@@H](C)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1	181775542	DLKDMRHPPCFWBS-GHMZBOCLSA-N	316.365	1.106	50	20	DDGD	
Cn1ccc(CC(=O)NNC(=O)Cc2cccc3ccccc23)n1	180880455	XQKYVYOGWFGXKJ-UHFFFAOYSA-N	322.368	1.506	50	20	DDGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)c1cc[nH]n1	131545006	PUCLXXVQKBUCBX-UHFFFAOYSA-N	310.766	1.616	50	20	DDGD	
C[C@H](Oc1ccc(F)c(F)c1)C(=O)NNC(=O)c1ccncc1	194784382	KHPPAPJHNKKBDA-VIFPVBQESA-N	321.283	1.588	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C(=O)NC1CC1)c1ccccc1Cl	43182658	QKLRJRXBNXDJRM-MRVPVSSYSA-N	324.768	1.010	50	20	DDGD	
O=C(CN1CCOC2(CCCC2)C1)NNC(=O)c1ccccc1	139800272	QXKQVDAPMPKKHV-UHFFFAOYSA-N	317.389	1.093	50	20	DDGD	
O=C(NCc1cccc(F)c1)NNc1nc2ccccn2n1	190852376	KFJGUARVVXTHCT-UHFFFAOYSA-N	300.297	1.695	50	20	DDGD	
COc1cc(/C=C(\C#N)S(=O)(=O)N(C)C)c2c(c1)C[C@@H](C)O2	195317447	IEDIKWFYADUJHI-WWNSAXIVSA-N	322.386	1.774	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1C[C@H](C(=O)OC)c2ccccc21	191472508	VHSJXDHOKGLHOQ-NHAQELONSA-N	300.314	1.734	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc(N(C)C(C)C)nc1	190231619	RFPKBTCQDKIMAM-GDNBJRDFSA-N	316.405	1.986	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2cc(Cl)ccn2)c1	98144509	VDKSMYRZBZTKQA-UHFFFAOYSA-N	318.764	1.876	50	20	DDGD	
COC(=O)Cc1cccc(C(=O)NNC(=O)OC(C)(C)C)c1	144336263	NOEGLZYSVJUEOE-UHFFFAOYSA-N	308.334	1.572	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C2(C#N)CCCC2)cc1	98109105	MAGYFRITZKTIFJ-UHFFFAOYSA-N	315.373	1.859	50	20	DDGD	
C[C@H]1CCCN([C@H](C)CNC(=O)NNC(=O)c2ccc[nH]2)C1	249520774	MNLHVVIOSJXBCZ-NWDGAFQWSA-N	307.398	1.079	50	20	DDGD	
Cc1ncc(CO)c(C=NNC(=O)c2c[nH]c3ccccc23)c1O	254557570	GYJXHRDIZJLLQS-UHFFFAOYSA-N	324.340	1.833	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)C(=O)NC(C)C)c(C)c1	263833264	VWQUAMMKMHBLHL-UHFFFAOYSA-N	323.418	1.068	50	20	DDGD	
Cc1nn(C)c(C)c1CNC(=O)NNc1ccc(Cl)nc1	266817240	QPVONPXMYGJVAP-UHFFFAOYSA-N	308.773	1.912	50	20	DDGD	
Cc1ccccc1O[C@@H](C)CNC(=O)NNC(=O)C1CCC1	266641671	YCFNDGVPTAULBY-LBPRGKRZSA-N	305.378	1.893	50	20	DDGD	
N#Cc1ccc(NNC(=O)CNC(=O)C2CCCCC2)cc1	269585553	NCPJETMMZOLWRX-UHFFFAOYSA-N	300.362	1.698	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)C(C)(C)c2ccccc2)on1	264667846	PKKJWFUYDDVDPJ-UHFFFAOYSA-N	316.361	1.791	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@H](C)C[C@H](C)O)cc(C#N)n1C	265858048	FOXDPZDWEVFTCD-YAQSFRCLSA-N	314.389	1.635	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1csc(C(=O)O)c1	264120475	NBHZLGFGZDBIQW-UHFFFAOYSA-N	320.392	1.192	50	20	DDGD	
CSC[C@H](C)NC(=O)NNC(=O)COc1ccc(F)cc1	265549017	IPVHIGPWBDJYOT-VIFPVBQESA-N	315.370	1.286	50	20	DDGD	
C[C@H](CCN(C)C)NC(=O)NNc1ncnc2ccsc12	268863349	IIFPZIMUENVBBE-SECBINFHSA-N	308.411	1.658	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccn(C(C)C)n2)c1O	265079215	PUCFAUNUKZMLID-UHFFFAOYSA-N	318.333	1.253	50	20	DDGD	
O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NNC(=O)c1ccc[nH]1	364643346	BKYNYHHYTLJZNP-VDQHWBOFSA-N	317.389	1.497	50	20	DDGD	
O=C(NNC(=O)c1cccc(-c2ncn[nH]2)c1)NC1CCCC1	271101550	NKJTZLYZTYAKOE-UHFFFAOYSA-N	314.349	1.358	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CCCOCC2)c1	272665713	NZFKIUUTYXERDT-GFCCVEGCSA-N	307.350	1.668	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2nnc(-c3ccccn3)s2)CCO1	276515234	WZCUKCDMMPQDSY-UWVGGRQHSA-N	319.390	1.858	50	20	DDGD	
CC[C@H](C(=O)NNc1nccn(C)c1=O)c1ccc(F)cc1	274133398	WCWPFWUVZNGYNO-LBPRGKRZSA-N	304.325	1.556	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CC[C@@H](n2cncn2)C1	365931070	XACLIFBKZASKOA-WTWVRAIASA-N	309.329	1.364	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc2c(c1)C(=O)CCC2	274400266	KHLMLVMPAYAVCG-UHFFFAOYSA-N	304.350	1.903	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)C2=Cc3ccccc3OC2)CC1	276647367	IFJZUCQMWUNTLC-UHFFFAOYSA-N	302.355	1.905	50	20	DDGD	
CCc1c(C(=O)NNC(C)=O)cnn1-c1ccccc1OC	274501746	FBGMUBQJGOXEGX-UHFFFAOYSA-N	302.334	1.224	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc(S(C)(=O)=O)c1	273362581	WEURFHRZJCPGAL-SECBINFHSA-N	313.379	1.289	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccc2c(c1)NC(=O)CS2	273282314	AOOHQPOZDORETB-UHFFFAOYSA-N	320.374	1.684	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](C)NC(=O)C2CCCC2)nc1	275505698	HTOUGYMYFLBRIW-JTQLQIEISA-N	306.366	1.228	50	20	DDGD	
CCCCn1ncc(C(=O)NNc2nccnc2OC)c1CC	277148166	IJOFXSQBSYNFFY-UHFFFAOYSA-N	318.381	1.801	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1	282227434	DFLCZXAEKOJVRP-OLZOCXBDSA-N	320.393	1.216	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H]2CCC[C@@H](N(C)C)C2)n1	280139223	DQHUUWJWLAFKDZ-QWHCGFSZSA-N	319.409	1.207	50	20	DDGD	
CC(=O)N1CCC[C@@H](C(=O)NNC(=O)Nc2ccccc2)C1	283767850	ONLAGIQJPWCELA-GFCCVEGCSA-N	304.350	1.098	50	20	DDGD	
CN(CCc1ccccc1[N+](=O)[O-])C(=O)NNC(=O)C(C)(C)C	287188682	DIOXZBBGQRTDSF-UHFFFAOYSA-N	322.365	1.856	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H]2CC[C@H]2C(=O)OC)cc1	285010168	HJSPMMIRYPURDQ-QWHCGFSZSA-N	304.346	1.209	50	20	DDGD	
C=CCNC(=S)NNC(=O)C1(c2cccc(F)c2)CCC1	280891546	DDGUMIZKWCNEIQ-UHFFFAOYSA-N	307.394	1.929	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@H]2CCC[C@H](OC)C2)nc1	281380938	YJRMMXCHZOAOGP-AAEUAGOBSA-N	321.377	1.907	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)C(C)(F)F	294352622	BDEZUJNIOMEVIF-UHFFFAOYSA-N	304.318	1.590	50	20	DDGD	
CCCN(CCC)CCCNC(=O)NNc1ncncc1F	292706076	OJGSXVPTRLEVQV-UHFFFAOYSA-N	312.393	1.754	50	20	DDGD	
C[S@](=O)c1ccc(CC(=O)NNc2cccc(F)n2)cc1	804771576	DQBAZYSXTVTODD-NRFANRHFSA-N	307.350	1.644	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)cc1C	297625546	CBIWXGQDUYRSBI-AWEZNQCLSA-N	319.361	1.919	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C(C)(C)c1cccnc1	807368435	GNSLFEIGNFZMJL-UHFFFAOYSA-N	323.393	1.296	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NNC(=O)c2ccc[nH]2)C1	299251192	QFMDNQIUYYIWIB-LLVKDONJSA-N	320.393	1.060	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@@H]1CCCN(C(=O)C2CC2)C1	804767275	GBUWYKGRELOVOD-LLVKDONJSA-N	306.341	1.312	50	20	DDGD	
CO[C@](C)(CNC(=O)NNC(=O)c1cccc(C)n1)C1CC1	291151834	DTJOOABLUUQZIM-OAHLLOKOSA-N	306.366	1.149	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(-n3ccnc3)cc2)O1	293794476	CIVSKORLBFFAGM-FZMZJTMJSA-N	314.345	1.201	50	20	DDGD	
O=C(NNC(=O)c1cncnc1-c1ccccc1)c1cccnc1	809957462	YMHFHVMZQOTYLA-UHFFFAOYSA-N	319.324	1.613	50	20	DDGD	
CCCCOCC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802102310	LMMADBUGGLZMSD-UHFFFAOYSA-N	309.322	1.385	50	20	DDGD	
COC(=O)Nc1cccc(C(=O)NNC(=O)[C@@H]2CCCCO2)c1	295369600	JXVYHVHBLWIATR-LBPRGKRZSA-N	321.333	1.195	50	20	DDGD	
Cn1ccc(CNC(=O)NNc2ccc3c(=O)[nH]ccc3c2)c1	806906470	RGGNHESAHPXNQH-UHFFFAOYSA-N	311.345	1.693	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)[C@@H]1CCCCO1	295613422	QXSKHCQNUYAHBS-MCIONIFRSA-N	306.337	1.646	50	20	DDGD	
CC(C)(C(=O)NNc1nccc(N2CCOCC2)n1)C1CC1	807076136	UQFHJNSPTHVWDS-UHFFFAOYSA-N	305.382	1.193	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)Nc1ccc2c(c1)OCO2	802103423	SFZINCLADHPKSA-UHFFFAOYSA-N	318.264	1.416	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CCCO2)cc1Cl	292839880	QJXNVISCYMOYGO-NSHDSACASA-N	313.741	1.680	50	20	DDGD	
CC(C)(CNS(=O)(=O)CBr)c1ccncc1	714288059	FRVNJWPYEFRIOF-UHFFFAOYSA-N	307.213	1.631	50	20	DDGD	
CC(=O)c1csc(C(=O)NNC(=O)N=c2cc[nH]cc2)c1	802034464	ORIGIOQLWIGXKO-UHFFFAOYSA-N	304.331	1.234	50	20	DDGD	
CC(C)c1ccccc1NC(=O)C(=O)NNc1ncncc1F	815764237	YFBNBQMOLFTOME-UHFFFAOYSA-N	317.324	1.821	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccc(N2CCCC2=O)cc1	817070626	KGSZDOXHTUNVMM-UHFFFAOYSA-N	315.308	1.499	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccccc1-n1cncn1	814758019	XCEYSRIRPUEIDN-UHFFFAOYSA-N	314.393	1.449	50	20	DDGD	
CCOc1ccc(C(=O)NNc2ncncc2F)cc1OC	817070054	CPXCNWHEVYZVRW-UHFFFAOYSA-N	306.297	1.780	50	20	DDGD	
CCC(=NNC(=O)c1ccnnc1)c1ccc2c(c1)OCCO2	817343798	YZPPXTGXEPJHOC-UHFFFAOYSA-N	312.329	1.792	50	20	DDGD	
CCc1nocc1C=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1	814765839	ANGFWYPNZYISQS-JHJVBQTASA-N	322.409	1.432	50	20	DDGD	
C[C@H](C(=O)NNC(=O)NCC1CC1)[C@H]1OCCc2sccc21	814627193	VRKVPQKIEHWAGX-TVQRCGJNSA-N	323.418	1.738	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)Cc1cc(C)no1	816832001	MOBNQMXXEZIKJO-UHFFFAOYSA-N	323.736	1.649	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)[C@H]1CCc2cccnc21	816915415	ZLRFCBPMHBQHCQ-LBPRGKRZSA-N	322.328	1.700	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](c2ccccc2)C1	814641692	KCRFSHLNPWMEJZ-HIFRSBDPSA-N	303.406	1.812	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NNc1ncncc1F	817081924	MAENSALVCVNZLX-ZETCQYMHSA-N	305.151	1.868	50	20	DDGD	
C[C@](C#N)(CC(=O)O)C(=O)NNC(=O)c1cccc(Cl)c1	819848133	QISFPNOLXTXEJI-CYBMUJFWSA-N	309.709	1.106	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2sccc2C#N)cc1	815584472	FFTBUHPGJOJFPC-UHFFFAOYSA-N	316.342	1.710	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=S)NCC1CCC1	727271087	WLAFOONTZWAMOQ-UHFFFAOYSA-N	311.382	1.500	50	20	DDGD	
C[C@H](C(=O)NNc1cc(F)ccc1Br)N(C)C	823600283	QJMYCDULQBHJBX-SSDOTTSWSA-N	304.163	1.981	50	20	DDGD	
COCCC(Cc1cccc(F)c1)=NNC(=O)c1cnccn1	729143207	JWORMTPJTSTVBB-UHFFFAOYSA-N	316.336	1.981	50	20	DDGD	
Cn1c(NNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)nc2ccccc2c1=O	823320612	VTDAOGXLOGUGHY-NTZNESFSSA-N	312.373	1.813	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccc(Cl)cc1O	727276814	NBQWAAPHESNPKP-UHFFFAOYSA-N	313.810	1.955	50	20	DDGD	
Cc1nc2n(n1)CCN(C(=O)/C(C#N)=C/c1ccc(O)cc1)C2	490974399	NEKGWXRAQVICKM-MDWZMJQESA-N	309.329	1.242	50	20	DDGD	
COC(=O)N1CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)CC1	490974430	NGVKYMNMIXSYSQ-RAXLEYEMSA-N	315.329	1.210	50	20	DDGD	
CCOc1nc2ccc(C(=O)NNC(=O)NC(C)C)cc2[nH]1	822844736	SMWWVQOMYIYXCS-UHFFFAOYSA-N	305.338	1.314	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc(N(C)C)cc(C(F)(F)F)c1	824627001	GLWUGGDHTKHSSK-UHFFFAOYSA-N	318.299	1.687	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2cccc(C#N)c2)cc1	728827474	QJCYBIQNTYKLQW-UHFFFAOYSA-N	323.308	1.420	50	20	DDGD	
CCOC(=O)N1CSC[C@H]1C(=O)NNc1cccc(C)n1	827037693	QCBXQKSIOUOEQA-JTQLQIEISA-N	310.379	1.365	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1ccc([C@H]2C[C@H]2C)o1	825681053	FNNLHHPSBOXWOY-URBCHYCLSA-N	321.377	1.658	50	20	DDGD	
CCN(C(C)=O)c1ccc(NC(=O)NNC(=O)CC2CC2)cn1	824587076	LBRAARVAMXWFRB-UHFFFAOYSA-N	319.365	1.407	50	20	DDGD	
CSc1ccc([C@@H](C)NCc2ccccc2B(O)O)cc1	585039042	MUFSLRBGPVDONX-GFCCVEGCSA-N	301.220	1.939	50	20	DDGD	
CN(C)c1ccc(C(=O)NNc2nc(-c3cccnc3)no2)cc1	728075850	QCGCMYQEWAGDJK-UHFFFAOYSA-N	324.344	1.955	50	20	DDGD	
OC[C@H](CNCc1ccc(B(O)O)cc1)CC1CCCCC1	585037682	GYRJAOZYHNVGFK-INIZCTEOSA-N	305.227	1.035	50	20	DDGD	
CC(=O)N[C@](C)(C(=O)NNC(=O)c1cc(C)cs1)C(C)C	827020914	JEQSTRIJYSNJLK-AWEZNQCLSA-N	311.407	1.368	50	20	DDGD	
C[C@@H]1SCC[C@H]1NC(=O)NNC(=O)c1cccc(C#N)c1	825895569	OUKXEJPWAWBDSI-JOYOIKCWSA-N	304.375	1.396	50	20	DDGD	
O=C(CCc1ccccc1O)NNc1ccc(-c2nn[nH]n2)cc1	826409213	NFUFXOOJJPBHJU-UHFFFAOYSA-N	324.344	1.648	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc3c(c2)C[C@H](C)O3)n1	821481489	PCXJWPZUGPGAPW-VIFPVBQESA-N	300.318	1.566	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CC(C)(C)NC(=O)OC(C)(C)C	823951667	MFSFWOPOJOHYGP-SNVBAGLBSA-N	303.403	1.024	50	20	DDGD	
Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[C@@H](B(O)O)C1	585068505	CRCSBUKIACBWKZ-MRVPVSSYSA-N	302.061	1.098	50	20	DDGD	
CN(C)c1nccc(CNC(=O)[C@]2(C)C[C@@H]2Br)n1	907221378	CARXHOOWFGMKIP-JOYOIKCWSA-N	313.199	1.332	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCCO1)[C@@H](C)NC(=O)OC(C)(C)C	496291030	FKQJHXVQWGWQRN-PWSUYJOCSA-N	313.398	1.961	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CCCCN1C	731867168	XWPZREICDUGYPO-DGCLKSJQSA-N	323.368	1.225	50	20	DDGD	
CCOC(=O)C[C@@H](C)CNC(=O)NNC(=O)OC(C)(C)C	494111998	AVMNMCUZGVWPIT-SECBINFHSA-N	303.359	1.315	50	20	DDGD	
COC(=O)c1cc(OC(=O)Cn2cccn2)ccc1[N+](=O)[O-]	732652988	ZSQFLVYGRHYWDM-UHFFFAOYSA-N	305.246	1.184	50	20	DDGD	
N#Cc1cccc(C(=O)NN=Cc2cccc(-c3nn[nH]n3)c2)c1	737723412	UHVGFAFILXNXHT-UHFFFAOYSA-N	317.312	1.502	50	20	DDGD	
CCS[C@@H]1CCC[C@@H](NC(=O)c2cccc(B(O)O)c2)C1	584960904	ORSACKMBBSMDDS-ZIAGYGMSSA-N	307.224	1.161	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(C(=O)O)cn1)N1[C@H](C)CC[C@H]1C	833603498	OHCCGLGYQIUJEZ-MXWKQRLJSA-N	306.366	1.484	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NCC2(CC#N)CC2)cc1	836439575	YBOQCMYWSWXEHN-UHFFFAOYSA-N	317.349	1.725	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCC[C@H]1C1CC1	839482144	YAFIZGVBKZGHFB-INIZCTEOSA-N	315.417	1.559	50	20	DDGD	
COCCN(C)NC(=O)[C@H](O)c1cccc(Br)c1	908116087	WPJSGNHPDSROQU-LLVKDONJSA-N	317.183	1.092	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@@H]1C[C@@]12CCCc1ccccc12	584911162	IGYIOWNAQFOPJS-PKOBYXMFSA-N	321.185	1.599	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc2oc(C(=O)O)cc2c1	833467730	RTVHUYOKRRGEPL-UHFFFAOYSA-N	305.290	1.940	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1c[nH]c(C(N)=O)c1)c1ccccc1	732132929	KXRSMKQLGKKAAA-LBPRGKRZSA-N	314.345	1.068	50	20	DDGD	
O=C(NCB(O)O)c1cccc(OCc2ccc(Cl)cc2)c1	585061867	KJVXKYGVRVYQLI-UHFFFAOYSA-N	319.553	1.661	50	20	DDGD	
C[C@]1(C(=O)N[C@H]2CCCN(CCCO)C2)C[C@H]1Br	908539572	BAPVTZCQVATQHX-LOWVWBTDSA-N	319.243	1.123	50	20	DDGD	
CC(C)CCC(=O)NCC(=O)NNc1cccc(C(=O)O)c1	833482921	IFLLXLPTWVRVRY-UHFFFAOYSA-N	307.350	1.380	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C[C@H]2CCOC2)cc1C	739678573	FBMXLBQZDZBHFC-CYBMUJFWSA-N	306.362	1.256	50	20	DDGD	
Cc1ccc(NS(=O)(=O)c2cc(C(=O)NN)ccc2C)cc1	917371529	BSTLFTUUDSGZGR-UHFFFAOYSA-N	319.386	1.708	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc[nH]1)C(=O)OC(C)(C)C	734418826	POGRWYAHSDHADL-UHFFFAOYSA-N	310.354	1.033	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCOC[C@@H]1C(=O)O	836725673	RGIZONZPSLNHIP-SFYZADRCSA-N	308.172	1.108	50	20	DDGD	
Cc1ccccc1[C@@H]1CCCN1CC(=O)NNC(=O)C1CC1	733194355	LOSJKLJKRGRTGG-HNNXBMFYSA-N	301.390	1.689	50	20	DDGD	
C=CCOCCNC(=O)NNc1cc(C(F)(F)F)ccn1	836395167	QYMUERKONNVSBR-UHFFFAOYSA-N	304.272	1.929	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C)c(C)c1)c1cn(C)nn1	834923037	VFRYMPQSEJINSZ-UHFFFAOYSA-N	301.350	1.351	50	20	DDGD	
O=C(NCc1cc2ccccc2o1)NNC(=O)[C@H]1CCCCO1	836246584	XRMKGCHBKKOMDG-CQSZACIVSA-N	317.345	1.832	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=Cc1coc2ccccc12	746578833	RCLRTQNXWYBNEL-UHFFFAOYSA-N	322.324	1.708	50	20	DDGD	
O=C(O)Nc1cccc(C(=O)NNC(=O)Cc2ccccn2)c1	740032553	BIKCJFFFIJLOJF-UHFFFAOYSA-N	314.301	1.175	50	20	DDGD	
C[C@@]1(C(=O)Nc2ccnc(OCCO)c2)C[C@H]1Br	912718335	FCCLFQAROKNEPT-BXKDBHETSA-N	315.167	1.565	50	20	DDGD	
O=C(NN=Cc1ccccn1)c1csc(N2CCOCC2)n1	916337926	OHRSNFYBHDGCJA-UHFFFAOYSA-N	317.374	1.139	50	20	DDGD	
O=C(NNC(=O)[C@@H]1Cc2ccccc21)[C@H]1COc2ccccc2O1	740738979	WLZJXHPNPLLOMA-CZUORRHYSA-N	324.336	1.314	50	20	DDGD	
COCCc1ccc(S(=O)(=O)NCCCSC#N)cc1	916971401	DWQZZQHAOMKRJW-UHFFFAOYSA-N	314.432	1.758	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1ccc2c(c1)OCCO2	842553262	GYMBIKWXVHAPNG-AAEUAGOBSA-N	304.346	1.723	50	20	DDGD	
C[C@]1(C(=O)N2CCN(CCC#N)CC2)C[C@@H]1Br	913761324	HIXWAZROEIJJTH-JQWIXIFHSA-N	300.200	1.218	50	20	DDGD	
O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1ccsc1	915907457	PEXGZLGBKZXYAB-UHFFFAOYSA-N	312.358	1.552	50	20	DDGD	
CC1(C(=O)NNC(=O)c2nnc(O)c3ccccc23)CCC1	749866085	FQGQADVHQWRQQX-UHFFFAOYSA-N	300.318	1.287	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCc2ccccc2C1	844619560	HOFGRLBGUJOHLS-CQDKDKBSSA-N	302.374	1.364	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(N2CCOC2=O)ccc1F	741676792	PRUYSOSFIHJNLD-UHFFFAOYSA-N	324.312	1.136	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNc1cc(O)nc2ncccc12	913990758	XAKLZFHKISAUEB-TVQRCGJNSA-N	304.350	1.840	50	20	DDGD	
CCC(=NNC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@H]1C[C@H]1C	841641065	QLTWQDYHOVJTHJ-SKDRFNHKSA-N	324.406	1.878	50	20	DDGD	
Cc1ccc(C(C)(C)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	843646118	IIOAJRMVIJHNCP-TZMCWYRMSA-N	304.390	1.845	50	20	DDGD	
CC[C@H](COC)NC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	743625528	UGGHJWHAWKSSTI-LLVKDONJSA-N	323.397	1.513	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)ccc1[N+](=O)[O-]	843638908	FEOALJAGMBUMFP-MWLCHTKSSA-N	307.306	1.089	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1CCc2ncncc2C1	843750904	UADJQPPGEFIRIL-SNVBAGLBSA-N	313.317	1.633	50	20	DDGD	
COC1(OC)CCOC[C@@H]1NC(=O)[C@@]1(C)C[C@@H]1Br	912842304	YUKKSZIAHBCYNA-QXEWZRGKSA-N	322.199	1.054	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cc(Cl)ccc1O)[C@H](C)O	842223800	FEIRZSIFKAOAPS-CBAPKCEASA-N	300.742	1.214	50	20	DDGD	
NC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1cccc(Cl)c1	841946977	DBDGJKICLRXYOU-YPMHNXCESA-N	324.812	1.802	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@H](C)CCCN)c1ccccc1	841999887	QZVXWFVMPRCPIJ-OCCSQVGLSA-N	306.410	1.638	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCC[C@@H](OC3CCC3)C2)cn1	848302911	FFWBQDMZLCCOSS-WPMUKRGUSA-N	314.389	1.887	50	20	DDGD	
CC(=O)N[C@H](C)C(=O)NNC(=S)Nc1cc(C)ccc1C	913423074	GGSXADSWZFQJQT-SNVBAGLBSA-N	308.407	1.146	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@@H]1CCCC[C@H]1F	840440420	BAVXBDDBTQXOMW-CHWSQXEVSA-N	323.368	1.849	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)C1SCCCS1	841387257	RAJXSEQCFWCYDQ-UHFFFAOYSA-N	323.403	1.771	50	20	DDGD	
C=CCOc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	843643503	MSESZDVYDUBJOK-FZMZJTMJSA-N	304.346	1.437	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)Cc1sccc1Br	910145238	RMMDUANDUQJLST-ZETCQYMHSA-N	307.213	1.397	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCC1	910146595	LCQVEZXOOYQEBV-PWSUYJOCSA-N	315.414	1.024	50	20	DDGD	
CC[C@@](C)(N[C@H](C)C(=O)NNC(=O)CC(C)C)C(F)(F)F	746483218	LZHPJUCRZRVTQW-BXKDBHETSA-N	311.348	1.889	50	20	DDGD	
CCCOc1cccc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1	917544507	IDNIROJXDJMWOD-CYBMUJFWSA-N	324.402	1.360	50	20	DDGD	
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NN(C)C[C@@H](C)O	910161576	WLGVQQURJCLPED-DGCLKSJQSA-N	309.366	1.507	50	20	DDGD	
COc1ccccc1[C@H](C)CC(=O)NNC(=O)[C@H]1CCO[C@H]1C	843647236	LQZBJSWVKVDTMP-DYEKYZERSA-N	320.389	1.761	50	20	DDGD	
CC(C)(C)n1ccnc1SCC(=O)NNC(=O)NC1CC1	749584772	DPMCQQUBVXZHDC-UHFFFAOYSA-N	311.411	1.223	50	20	DDGD	
CC1(NC(=S)NNC(=O)[C@H]2COc3ccccc3O2)CCC1	840702061	CAONEYFUIKVLDI-GFCCVEGCSA-N	321.402	1.264	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNc1ncc(Br)cn1	848322720	LVQFHKMCCYESKQ-MRVPVSSYSA-N	303.160	1.497	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C(F)(F)C(F)F)cc1	846373687	BVCICJHPXODBQL-UHFFFAOYSA-N	308.231	1.746	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)c1ccccc1C	923911530	NFXNIGOZJKLCPU-NWDGAFQWSA-N	306.362	1.588	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@@H]1CCCN1C1CCCC1	749207578	HWYXQDLBVZTMEV-JTQLQIEISA-N	307.316	1.493	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@H](C[C@@H]1CCCO1)C(F)(F)F	845894738	IKGOQTKMWKUKGM-IUCAKERBSA-N	322.262	1.806	50	20	DDGD	
CC(C)Cc1ccc(CC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	843644175	ONEMACKWHBKUMQ-CJNGLKHVSA-N	318.417	2.000	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1ccc2c(c1)CC(=O)N2	842553998	HYVFIDPEVWIIJK-GWCFXTLKSA-N	301.346	1.446	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H]2CCN(C)[C@@H]2C)c1	843752541	UKBMUNCGCPNFBL-UKRRQHHQSA-N	319.405	1.170	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1nc2ccccc2n1C	755631768	OYPSROHIFBPXIX-UHFFFAOYSA-N	314.374	1.684	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1	856506537	OVLPZABMUCNCMS-DMIOIOJGSA-N	323.393	1.946	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1	854923529	YYXKYTJOAKXJMS-SECBINFHSA-N	322.217	1.494	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C	757624080	QMFDGOAXWYTERV-UHFFFAOYSA-N	310.310	1.401	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccc(Cl)cc1	858093169	UDNULNGTKYZWDG-GZMMTYOYSA-N	324.768	1.010	50	20	DDGD	
C[C@@H]1OCCC1=NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C	853376245	NHGBXZDUEWBSMA-MISXGVKJSA-N	306.366	1.169	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NC[C@H](CO)CC1CC1	855915547	GDYUHQNAINNZTR-QVTJDRNWSA-N	300.358	1.824	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cc(-n2ccnn2)ccc1F	857115150	BTHQBBLAUAIBHF-UHFFFAOYSA-N	319.340	1.604	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)C2CCCC2)C[C@@H](C(F)(F)F)O1	753339569	KISKFXJPBFMIQJ-SCZZXKLOSA-N	323.315	1.569	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)c1	858296586	QWQFKNFROBGLTN-JQWIXIFHSA-N	322.434	1.483	50	20	DDGD	
CNC[C@@H](C)NC(=O)NNc1ccc(F)cc1Br	851682624	YAKCEOXFKNICJK-SSDOTTSWSA-N	319.178	1.822	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1nnc(C(CC)CC)s1	755517120	KDILGTJHZBULSM-UHFFFAOYSA-N	315.399	1.631	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)COC2CCOCC2)c1C	855627723	ZLUHHSLYLZQCHQ-UHFFFAOYSA-N	322.361	1.420	50	20	DDGD	
CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)NNc1ncc(Cl)cn1	856870534	TYKYJDGCKMPZFI-AEJSXWLSSA-N	311.773	1.570	50	20	DDGD	
CCc1csc(NC(=O)NNC(=O)Cc2cccnc2)n1	756816152	ZEGSNTKVTGFINN-UHFFFAOYSA-N	305.363	1.496	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@](C)(O)CC)cc1	929294864	FUWLQTVKLMOLND-BZNIZROVSA-N	324.377	1.161	50	20	DDGD	
Cn1c(=O)oc2cc(C=NNC(=O)c3cccc(C#N)c3)ccc21	754945234	XRZDTAFTWOUPGN-UHFFFAOYSA-N	320.308	1.767	50	20	DDGD	
CCOCCn1cc(C(=O)NN(C)C(=O)OC(C)(C)C)cn1	857288719	MQUHKKCLSXGLLS-UHFFFAOYSA-N	312.370	1.431	50	20	DDGD	
C[C@]1(CCC(=O)NNc2ccccc2[N+](=O)[O-])CCC(=O)N1	753397855	DAUGELGRGPCASZ-CQSZACIVSA-N	306.322	1.487	50	20	DDGD	
CC(C)c1ccc(NNC(=O)CC[C@H]2NC(=O)NC2=O)cc1	854883205	WJNZRMJUWAORJJ-GFCCVEGCSA-N	304.350	1.241	50	20	DDGD	
O=C(CN1CCCCCCC1=O)NNc1ccc(Cl)cn1	856095072	DUKMDBCZAZSAMI-UHFFFAOYSA-N	310.785	1.971	50	20	DDGD	
O=C(CCC(=O)NC1CCCC1)NNc1ncc(Cl)cn1	857357388	QLOLBBHCNVWCMD-UHFFFAOYSA-N	311.773	1.412	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@H]1Cc2cc(F)ccc2O1)C1CC1	855101515	WQYKTIWYYGXONU-AMIZOPFISA-N	323.393	1.423	50	20	DDGD	
O=C(NN=Cc1nn[nH]c1-c1ccccc1)c1ccccc1O	755481499	KWLOFRXFZANTMC-UHFFFAOYSA-N	307.313	1.941	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCc2cc(F)ccc21	850271465	XNWGGAMGOZLQEW-TVQRCGJNSA-N	322.336	1.345	50	20	DDGD	
CCn1cc(CC(=O)NC[C@]2(C)C[C@H]2Br)cn1	857391399	PLJSHQUGHXJDNZ-PWSUYJOCSA-N	300.200	1.735	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Nc2ccc(C)nc2)c1O	757732323	FLNKYQMCVAAUKL-UHFFFAOYSA-N	316.317	1.571	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@H](O)C2CC2)cc1	854189112	NISCYEAWPJVQSD-GFCCVEGCSA-N	309.391	1.174	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H]2C[C@@H](C)Cc3c[nH]nc32)n1	857858277	LPFBXAKTKSZZGX-OIBJUYFYSA-N	320.784	1.971	50	20	DDGD	
CCc1onc(-c2ccccc2)c1C(=O)NN(C)C(=S)NC	854920619	RCJJVFKOGQAPLP-UHFFFAOYSA-N	318.402	1.985	50	20	DDGD	
Cn1nc(C2CC2)cc1C(=O)NNc1cnc2ccccc2n1	935399968	CHFIFZJICIRTEL-UHFFFAOYSA-N	308.345	1.998	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C1CCC[C@H](c2cccnc2)C1	863186691	IFKYSBCAXFPBPF-NSHDSACASA-N	309.391	1.256	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)SC1=N[C@@H](C)CS1	766300414	SPKSENWSOUXUSI-IUCAKERBSA-N	303.453	1.793	50	20	DDGD	
COc1ccc2c(c1)[C@H](C(=O)NNC(=O)c1cccnc1)CC2	761391854	PSPHJBNXEWSBEO-CQSZACIVSA-N	311.341	1.581	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C1CCCc2c(Cl)cccc21	863186694	IGQZIFBGABHVCE-UHFFFAOYSA-N	314.794	1.541	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)Nc1nc2c(s1)CCCC2	860268770	UEIHMXDNPCFZEA-UHFFFAOYSA-N	306.351	1.212	50	20	DDGD	
Cn1c(C(=O)NC[C@]2(C)C[C@@H]2Br)cnc1Cl	864072309	HZBHMVIHHFOUJZ-XVKPBYJWSA-N	306.591	1.977	50	20	DDGD	
Cc1nc(-c2ccc(C)c(NCc3cccc(B(O)O)c3)c2)n[nH]1	864031078	UBNFPJIIKHSXRI-UHFFFAOYSA-N	322.177	1.380	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CCC(=O)OC(C)(C)C	768188174	RUYHODXQSUZSHN-UHFFFAOYSA-N	303.428	1.402	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H](C)CN2CCOCC2)cnc1Cl	760242338	RKEYWDXMSBJRKS-GFCCVEGCSA-N	324.812	1.462	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C[C@@]2(C)CC2(Cl)Cl)n[nH]1	869018089	ZFHMFWSVTQQQKA-NSHDSACASA-N	319.192	1.382	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@H]1CCCN(CC(F)F)C1	869019420	CAFUKJNDRQQGDA-ZETCQYMHSA-N	317.258	1.063	50	20	DDGD	
CC(C)[C@@H](NC1CCOCC1)C(=O)NN[C@H](C)C(F)(F)F	863921165	WMMBBVRGYYPFEJ-MWLCHTKSSA-N	311.348	1.351	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NNC(=S)Nc1ccccc1OC	865273256	XVHKPEOKNXVSND-JOYOIKCWSA-N	309.391	1.438	50	20	DDGD	
C[C@@H](NNC(=O)c1nnc(O)c2ccccc12)C(F)(F)F	862303231	NAYKUAQQTXGBHA-ZCFIWIBFSA-N	300.240	1.521	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC[C@@H](n2ccnn2)C1	867432376	XNBDDTCKLCZMOP-LLVKDONJSA-N	320.846	1.510	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2csc(NC3CC3)n2)n1	769123780	SJVATOLSBLABMZ-UHFFFAOYSA-N	319.394	1.330	50	20	DDGD	
CC(C)(C(=O)NNc1ncc(F)cn1)c1ccc([N+](=O)[O-])cc1	760915334	ZIFAXOKXWBIEAT-UHFFFAOYSA-N	319.296	1.945	50	20	DDGD	
Cc1ccc(CO[C@@H](C)C(=O)NNC(=O)[C@@H]2CCCCO2)cc1	861851918	BGGPIFKKBRBWEW-ZFWWWQNUSA-N	320.389	1.617	50	20	DDGD	
COc1ccc(NNC(=O)Cn2cc(C)cn2)c([N+](=O)[O-])c1	768331758	OMXLIVJCNOLNFG-UHFFFAOYSA-N	305.294	1.252	50	20	DDGD	
CCOC(C)(C)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	869769328	BVIAKCNCFVXVFS-UHFFFAOYSA-N	322.361	1.114	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@H]1CCCNC1=O	868886741	VWDMJCKCHWGQEH-QMMMGPOBSA-N	311.773	1.223	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C	866861548	QZVRIJDYJPZUEY-GMTAPVOTSA-N	309.859	1.984	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=C(CC(F)(F)F)c2ccccc2)N1	863145628	PFSHQBVNPGGLCV-JTQLQIEISA-N	313.279	1.738	50	20	DDGD	
CC[C@@H]1C[C@@H](C)CCC1=NNC(=O)[C@@H]1CCS(=O)(=O)C1	769570592	RFTHANTUKVEHBB-QJPTWQEYSA-N	300.424	1.740	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)SC1=N[C@@H](C)CS1	766300412	SPKSENWSOUXUSI-DTWKUNHWSA-N	303.453	1.793	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1cnc2nccnc2c1	760285442	ZHFPLSOTXODZRI-UHFFFAOYSA-N	301.697	1.225	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)[C@H](C)[C@@H](C)S(C)(=O)=O	1118023863	VGQKCZGACJYWHE-NXEZZACHSA-N	302.371	1.646	50	20	DDGD	
COc1ncnc(N(C)C)c1NC(=O)NCC(Cl)Cl	878956379	JYNHWTSQUDUETL-UHFFFAOYSA-N	308.169	1.476	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)n1	764517491	XQGOOLNRRYRSQR-GHMZBOCLSA-N	323.397	1.705	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C(C)c1cn(C)cn1	872328042	OJPCVTOJBSLMNM-UHFFFAOYSA-N	301.350	1.381	50	20	DDGD	
Nc1cnnc(NNC(=O)COCc2ccccc2)c1Cl	1116292200	ADELCUDSZNAUTI-UHFFFAOYSA-N	307.741	1.372	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)Cc1c[nH]c2ccccc12	772861501	GCYPXQVDSSFZMB-UHFFFAOYSA-N	311.345	1.388	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1ccc(OC(C)C)nc1	872334622	GVMMNTVZHONSFA-UHFFFAOYSA-N	315.395	1.224	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccc(F)cn1)N1CCO[C@H](CC)C1	874648439	PSAHJQHDCFWSAN-OLZOCXBDSA-N	310.373	1.553	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CN2CCCCC2=O)c1	873774667	RNRYGWUDROBRTM-UHFFFAOYSA-N	320.418	1.325	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CC(C(F)F)C2)cc(C#N)n1C	770430296	STFIIBXTDQSZHH-JYOAFUTRSA-N	304.300	1.836	50	20	DDGD	
Cc1ccsc1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	771890572	NZJKEDMYCSJGAS-SNVBAGLBSA-N	312.391	1.795	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Cc1ccccc1CC#N	776901475	HWMUOJCAXRKZIU-UHFFFAOYSA-N	323.352	1.765	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cc(Br)ncc1Cl	779726234	ZGGQQISEYRLNCE-UHFFFAOYSA-N	320.574	1.915	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C12CCC(C(=O)OC)(CC1)C2	887148047	LWDYGLBVEVJFDQ-UHFFFAOYSA-N	306.362	1.061	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=Cc1ccc(F)nc1	777429442	KUUFSNAPJKWGNU-YNEHKIRRSA-N	322.384	1.416	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(N2CCOCC2)cc1	887142927	FKVKSJPYONJIJD-UHFFFAOYSA-N	315.373	1.088	50	20	DDGD	
CC(C)c1ccc(OCC(=O)NNC(=O)c2cccnn2)cc1	882061833	RUWGIZWVXOPUNO-UHFFFAOYSA-N	314.345	1.440	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	1120734847	PHXVGNCYLCEUCI-UONOGXRCSA-N	320.393	1.720	50	20	DDGD	
Cc1ccc(NNC(=O)CN2CCCCS2(=O)=O)cc1F	880753213	UTSPBPNZFCPOAK-UHFFFAOYSA-N	315.370	1.003	50	20	DDGD	
CC[C@H]1C[C@H](CC(=O)NNC(=S)NC(C)(C)C)CCO1	781674314	JZWOXEIVIDTVFK-MNOVXSKESA-N	301.456	1.876	50	20	DDGD	
C[C@H]1C[C@H]1c1ccc(CCC(=O)NNC(=O)c2cccnn2)o1	882061371	FXVZZEIBZFCKOT-CMPLNLGQSA-N	314.345	1.587	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=O)c2cccc(C#N)c2)c1C	1120690600	UQYAFOCNPRGWRE-UHFFFAOYSA-N	311.345	1.548	50	20	DDGD	
C[C@H](CCc1ccccc1F)C(=O)NNC(=O)c1cccnn1	882057728	IMTOBVBGDFIOMR-LLVKDONJSA-N	316.336	1.646	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2cccc3c2OCO3)n1	782650143	JIVSFLDBVHULMX-UHFFFAOYSA-N	301.306	1.971	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc3c(c2)OCO3)cc1	783345224	XVLXIOSEDCHMOK-UHFFFAOYSA-N	313.313	1.806	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)C1CSC1	895748766	RZKFCSXILQHAAR-UHFFFAOYSA-N	300.383	1.893	50	20	DDGD	
O=C(NNc1ncncc1Cl)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	781008563	BVQDLQHGSLSGRW-IEBDPFPHSA-N	323.784	1.714	50	20	DDGD	
COc1cc(Br)cc(C=NNC(=O)C(F)F)c1O	782236819	CPTFLEUZUAXYDD-UHFFFAOYSA-N	323.093	1.879	50	20	DDGD	
C[C@H](OC[C@@H]1CCCCO1)C(=O)NNc1ccc(C#N)cn1	899663671	JJXHCBOTORQHSK-AAEUAGOBSA-N	304.350	1.371	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1OC	783448665	RZAALTPVLZBTKU-GVXVVHGQSA-N	318.373	1.901	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(-n2ccnc2)nn1)c1cccs1	788174136	FPCKFVJMPFCADU-JTQLQIEISA-N	314.374	1.971	50	20	DDGD	
Cc1cccc(C)c1NC(=O)C(=O)NNc1ncncc1Cl	781833244	DLCKGXUCAJVNTC-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
Cn1nccc1COCC(=O)NNc1cc(F)c(F)c(F)c1	786425208	ACAPTNGMFNEVKQ-UHFFFAOYSA-N	314.267	1.497	50	20	DDGD	
CCN(CC)CCC(=O)NN=C(C)Cc1cccc(OC)n1	782901838	WVLAWOHDFRYGFE-UHFFFAOYSA-N	306.410	1.857	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1OCCNS(=O)(=O)CBr	782417861	JPCDVYYSIZBTFI-ZJUUUORDSA-N	314.245	1.854	50	20	DDGD	
C[C@@H]1CCCN1CCNC(=O)NNC(=O)CCc1ccccc1	897480329	WXNBOABLGFYRTN-CQSZACIVSA-N	318.421	1.434	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)CNC(=O)CC(C)(C)C	788192912	KNSSIQHOWFAAKA-UHFFFAOYSA-N	311.357	1.830	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)COc1ccc(C)cc1	792811572	GNPWVIZMACKELR-DOMZBBRYSA-N	308.378	1.582	50	20	DDGD	
C=CCNC(=S)NNC(=O)C(C)(C)Cc1ccccc1OC	798305479	QYURICDYSVXOMT-UHFFFAOYSA-N	321.446	1.945	50	20	DDGD	
Cn1nncc1C(=O)NNc1ccccc1OC(F)(F)F	798994528	MWPQDUYAXBNJST-UHFFFAOYSA-N	301.228	1.471	50	20	DDGD	
CSSCCNS(=O)(=O)c1ccc2c(c1)C(=O)OC2	790350394	SEYNHFNICXONTI-UHFFFAOYSA-N	319.429	1.647	50	20	DDGD	
Cn1nc([C@@H]2CCCOC2)cc1NC(=O)NNc1ccccn1	790544956	ZLUFPLQUZOXZGM-LLVKDONJSA-N	316.365	1.858	50	20	DDGD	
CO[C@@H]1CCC[C@H](CC(=O)NNC(=S)NCCSC)C1	793767830	SNSWVOJJGQOHMN-WDEREUQCSA-N	319.496	1.440	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCC[C@H](c2cccnc2)C1	799884916	VRFGCUGSXQSVKO-NSHDSACASA-N	304.350	1.567	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(F)cc1F	790064080	SQGSVXQHELLRJI-UHFFFAOYSA-N	316.304	1.515	50	20	DDGD	
C=C(CBr)COC(=O)COc1c(C)nn(C)c1C	795552941	RWHCMKSNEXOPRW-UHFFFAOYSA-N	317.183	1.910	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)s1	1318095475	UUORSZMIKKEQMH-UHFFFAOYSA-N	305.363	1.128	50	20	DDGD	
CCCC(=NNC(=O)C[N+](C)(C)C)c1cccc([N+](=O)[O-])c1	1317712471	KPEIAIOSILOYDA-UHFFFAOYSA-O	307.374	1.921	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)N[C@H]1CC[C@H](O)CC1	1327624432	QXOLGDVYPZPCHY-MGCOHNPYSA-N	311.769	1.588	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC(F)(F)C1)c1n[nH]c2c1CCCC2	1321073150	MALQXXBVCLWRLA-MRVPVSSYSA-N	312.320	1.485	50	20	DDGD	
O=C(CCc1ccncn1)NNc1ccc2c(=O)[nH]ccc2c1	1325941492	HHMHYHPYJZTXRR-UHFFFAOYSA-N	309.329	1.394	50	20	DDGD	
CN(NC(=O)C(=O)N1CCc2ccc(C#N)cc21)c1ccccc1	1321175549	NNBFIBYBMXRFCF-UHFFFAOYSA-N	320.352	1.615	50	20	DDGD	
CC(C)C1CN(C(=O)C(=O)NC[C@]2(C)C[C@H]2Br)C1	1328549103	ZCLAWNSFDJIJMQ-MFKMUULPSA-N	317.227	1.391	50	20	DDGD	
CCCNC(=O)[C@H](C)NC(=O)c1c(C)nn(CCCl)c1C	1337493561	ZOAKBZGGCAWWNB-JTQLQIEISA-N	314.817	1.383	50	20	DDGD	
CN1CCCC[C@H](C(=O)NNc2ccc(C(C)(C)C)nn2)C1=O	1336791714	VNJVAZUMOWJHEI-LLVKDONJSA-N	319.409	1.476	50	20	DDGD	
C[C@@H]1SCCN(CC(=O)NNC(=O)c2cccs2)[C@@H]1C	777589675	UXYVUUIVTMHSKS-ZJUUUORDSA-N	313.448	1.335	50	20	DDGD	
C[C@@H]1CCN(CCNC(=O)NNC(=O)c2cccc(Cl)c2)C1	1334335628	KHHJQWNXYHSXLG-LLVKDONJSA-N	324.812	1.626	50	20	DDGD	
Cc1ncc(CNC(=O)NNC(=O)c2cc3c(s2)CCC3)o1	1330864339	HAMBPQKJGVUQQH-UHFFFAOYSA-N	320.374	1.677	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cnc(C(C)C)[nH]1	1261092057	ODXDECGMYNGTFA-UHFFFAOYSA-N	312.370	1.083	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCCCc1cccc(O)c1	1349960127	OEDOBBGXGVLHRT-IUODEOHRSA-N	320.389	1.677	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)/C=C\c1nccs1	1516577569	GBSIELULDMXGOY-SREVYHEPSA-N	303.343	1.626	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1ccc(F)c(-c2nn[nH]n2)c1	1609559621	UTJVGNMQFXDFIV-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)NC[C@@H](C)C(=O)O	1603184118	WACIRKZXMQTJSE-SSDOTTSWSA-N	315.761	1.600	50	20	DDGD	
O=C(NN[C@H](C(=O)O)c1ccccc1Cl)c1ccccn1	1608479696	UCOGRGOIPZHVEY-LBPRGKRZSA-N	305.721	1.795	50	20	DDGD	
C[C@H]1COCC[C@@H]1NC(=O)NNc1ccc(CC(=O)O)cc1	1604818841	LNRGUQPIRJZFNY-GWCFXTLKSA-N	307.350	1.365	50	20	DDGD	
O=C(O)CCCCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	1606141959	FIZFNDHZGKTBON-UHFFFAOYSA-N	322.405	1.995	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1cc(C(=O)O)c2n1CCCC2	1600675379	WTFPMZVWSBBJSJ-UHFFFAOYSA-N	315.333	1.318	50	20	DDGD	
O=C(O)CNC(=O)NN=C1CCCCc2ccc([N+](=O)[O-])cc21	1602071147	CYQHRQYDRNDMMN-UHFFFAOYSA-N	320.305	1.409	50	20	DDGD	
CCC(CC)(CNC(=O)NNc1cccc(OC)n1)C(=O)O	1604998332	RIABQZGTGACDOS-UHFFFAOYSA-N	310.354	1.607	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NNC(=O)C2(C(=O)O)CCCCCC2)O1	1605004546	ZCBURBGRUCPVNH-GHMZBOCLSA-N	312.366	1.127	50	20	DDGD	
O=C(CCc1ccco1)NNC(=O)C1(C(=O)O)CC2(CCC2)C1	1601292688	LGAVNAYTXHPRIG-UHFFFAOYSA-N	320.345	1.395	50	20	DDGD	
O=C(CCOCC(F)F)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1608311933	VAMRZJNBHBBAFL-UHFFFAOYSA-N	319.216	1.870	50	20	DDGD	
O=C(O)c1ccc(Cl)c(C(=O)NNC(=O)c2ccoc2)c1	1608891890	RRKOCSCQDMIIDP-UHFFFAOYSA-N	308.677	1.706	50	20	DDGD	
O=C(O)Cc1cccc(C(=O)NNc2ccc(Cl)nn2)c1	1610794068	OXXKDSKPGBARPJ-UHFFFAOYSA-N	306.709	1.514	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)NN=C1CC[C@H]2C[C@H]12	1549904008	FETJPUYTHKZGJI-JUFZMCDQSA-N	302.378	1.790	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@H]1C(=O)NN=Cc1ccccn1	1549318330	XTNJSMMWQAALQJ-HIFRSBDPSA-N	313.361	1.433	50	20	DDGD	
CCCN(NC(=O)[C@@H]1CCO[C@H]1CN)C(=O)OC(C)(C)C	1577531195	XJWQHSSOZRDWDZ-MNOVXSKESA-N	301.387	1.029	50	20	DDGD	
C[C@@H]1CCN[C@@H](C(=O)NNc2cccc(Br)n2)C1	1576746128	YRPAPKINJQUIEK-RKDXNWHRSA-N	313.199	1.675	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@H](N)CCC(C)C	1579310443	PHNDNBQZEHXTHQ-LLVKDONJSA-N	324.450	1.776	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1cc(-c2ccccc2)n(C)n1	1589012723	YBSTZKHLOVGTLJ-UHFFFAOYSA-N	315.333	1.195	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C1(C(=O)O)CCCCCC1	1588717900	KZBPOAWGJMZPPR-UHFFFAOYSA-N	300.355	1.968	50	20	DDGD	
O=C(C[C@]1(O)CCCNC1)NNc1cc(C(F)(F)F)ccn1	1580497590	COPLOOJTJTVVCH-GFCCVEGCSA-N	318.299	1.048	50	20	DDGD	
C=C(CBr)CN1CC[C@H](C(=O)OC)C[C@H]1C(=O)O	1588606316	WLGDKACRXKGDHX-UWVGGRQHSA-N	320.183	1.276	50	20	DDGD	
COC(=O)c1cccc([C@@H](NNC(=O)CC2CC2)C(=O)O)c1	1598994032	DFVZNQBSMNUXLP-CYBMUJFWSA-N	306.318	1.020	50	20	DDGD	
Cc1[nH]c(C(=O)O)c(C)c1C(=O)NNc1nccnc1Cl	1599957469	RGVLEAKAAVHRTF-UHFFFAOYSA-N	309.713	1.530	50	20	DDGD	
C[C@@H]1COCC[C@H]1NC(=O)NNc1ccc(C(=O)O)c(F)c1	1594602584	FKVRRQGLBYBVFD-PRHODGIISA-N	311.313	1.575	50	20	DDGD	
COCCCCC(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1599222561	DMLFYASICCIFNZ-UHFFFAOYSA-N	315.395	1.397	50	20	DDGD	
C[C@H](NS(=O)(=O)CCl)[C@@H](Cc1ccccc1)C(=O)O	1593319376	NQFRFAZSDWMRNW-GXSJLCMTSA-N	305.783	1.434	50	20	DDGD	
CCCC[C@@H](NNC(=O)C(=O)Nc1ccc(C)c(C)c1)C(=O)O	1595641072	PUKBCDHBGFSTHB-CYBMUJFWSA-N	321.377	1.506	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)c1	1593896800	JUUGQFZJXLAAMU-ZJUUUORDSA-N	306.318	1.417	50	20	DDGD	
COc1ccccc1C(=O)C(=O)NNc1ncccc1C(=O)O	1594139012	FCFZJOVCLOJHDA-UHFFFAOYSA-N	315.285	1.114	50	20	DDGD	
CC(C)n1ccc(CC(=O)NNc2ccc(F)c(C(=O)O)c2)n1	1592133147	BYRRSMTWYGZUAY-UHFFFAOYSA-N	320.324	1.987	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccccc2O)cc1[N+](=O)[O-]	17526124	IZLXYKIXHOEYLN-UHFFFAOYSA-N	315.285	1.684	50	20	DDGD	
CCn1c(NNC(=O)CC2(N)CCC2)nc2ccccc2c1=O	150743532	NXQRBHDNISASHN-UHFFFAOYSA-N	315.377	1.131	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2cccs2)n[nH]1)c1cc[nH]c1	151118004	QZAKLJBIXAKGKS-UHFFFAOYSA-N	301.331	1.541	50	20	DDGD	
COc1ccc2cccc(CC(=O)NNC(=O)CN(C)C)c2c1	151520111	VWFFVEADLZNFEH-UHFFFAOYSA-N	315.373	1.100	50	20	DDGD	
O=C(NNc1ccccc1F)[C@@H]1CCCN1C1CCOCC1	153289992	MABDGSJCMPAJCX-HNNXBMFYSA-N	307.369	1.912	50	20	DDGD	
CC(C)CO[C@@H]1CCN(C(=O)NNC(=O)Cc2cccnc2)C1	155292667	MVTBOAXDCMHYDH-CQSZACIVSA-N	320.393	1.112	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2cccc(F)c2)cc1	154651456	CSLQBJWEWOFGGC-UHFFFAOYSA-N	303.293	1.916	50	20	DDGD	
COCc1nc(C)c(C(=O)NNc2ccc(OC)cn2)s1	159630881	PCYCXCDSDNWSPC-UHFFFAOYSA-N	308.363	1.758	50	20	DDGD	
O=S(=O)(CCl)NCC[C@@H](O)COCc1ccccc1	859424839	LOWYHACROGBLOO-GFCCVEGCSA-N	307.799	1.070	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)/C=C/c1ccco1	7810188	YYCCSRCMCRFLSV-BQYQJAHWSA-N	310.313	1.710	50	20	DDGD	
C[C@H](C(=O)NNC(=O)NCC(F)(F)F)c1ccccc1F	109023348	JZJKPWREDZOPBE-ZETCQYMHSA-N	307.247	1.822	50	20	DDGD	
COc1ncccc1NC(=O)NNC(=O)c1ccc(C#N)cc1	57979799	VUMVGCVQFCZKGU-UHFFFAOYSA-N	311.301	1.428	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CC[C@](C)(O)C2)cc1	176060236	FBZWBIATFUUALW-SHRNQRGKSA-N	300.358	1.976	50	20	DDGD	
O=C(CCc1ccc(F)cc1)NNC(=O)Cc1cccnc1	103424582	MKSLSMPSYCPHFB-UHFFFAOYSA-N	301.321	1.543	50	20	DDGD	
CC(=O)N1c2ccccc2C[C@H]1C(=O)NNC(=O)C(C)(C)C	102332909	MQVYGHUNMHUGFQ-ZDUSSCGKSA-N	303.362	1.158	50	20	DDGD	
CCN(C)[C@@H](C(=O)NNC(=O)c1cccn1C)c1ccccc1	103186087	SJIZVMQSFGENPE-OAHLLOKOSA-N	314.389	1.479	50	20	DDGD	
O=C(CCNC(=O)c1[nH]nc2ccccc12)NNc1ccccc1	111555279	LQSAXUXJUMPCGX-UHFFFAOYSA-N	323.356	1.826	50	20	DDGD	
O=C(CCCOc1ccccc1)NNC(=O)Cc1ccncc1	175778305	PPNLYNHYJXWYNP-UHFFFAOYSA-N	313.357	1.631	50	20	DDGD	
Cc1nn(C)c(Cl)c1/C=C/C(=O)NNC(=O)CCC(C)C	66573304	KUZODMFIWQXZMX-SOFGYWHQSA-N	312.801	1.979	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCC(=O)NC1CCCCC1	79724808	UDPAYSIIUCLEQH-UHFFFAOYSA-N	312.414	1.202	50	20	DDGD	
COc1cc(CC(=O)NNC(=O)NC2CCCC2)ccc1C	65920319	GFJONEJEMSWCBL-UHFFFAOYSA-N	305.378	1.819	50	20	DDGD	
Cc1ccc2cccc(C(=O)NNC(=O)N3CCOCC3)c2n1	172836446	HKTDZUOFWROKAY-UHFFFAOYSA-N	314.345	1.230	50	20	DDGD	
Cc1nn(C)c(C)c1CNC(=O)NNc1cncc(Cl)n1	173477140	ACBNPUOXSAKXLV-UHFFFAOYSA-N	309.761	1.307	50	20	DDGD	
CCNC(=O)CCCC(=O)NNC(=O)[C@@H](CC)c1ccccc1	111630623	ACNBAMVRBDYOOY-AWEZNQCLSA-N	319.405	1.634	50	20	DDGD	
COCCCOc1ccc(C(=O)NNc2cc(C)ccn2)cn1	176747411	QUWQZHRFMZJHLH-UHFFFAOYSA-N	316.361	1.957	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	127878522	JAZPTEOICWNIQY-ZDUSSCGKSA-N	318.402	1.979	50	20	DDGD	
CC1CCN(c2ccc(NC(=O)NNC(=O)CCO)cc2)CC1	120331877	GCLXOKQTCJHVLJ-UHFFFAOYSA-N	320.393	1.458	50	20	DDGD	
CC(C)CCn1cc(C(=O)NNC(=O)CC2CCCC2)nn1	129298194	ONGPPWICKCYTMR-UHFFFAOYSA-N	307.398	1.666	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)c1n[nH]c2c1CCC2	129192820	VRRBYJMFHCXJFA-UHFFFAOYSA-N	314.345	1.129	50	20	DDGD	
CCCCCOCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	120516431	FSUSYDIAPYBVJK-UHFFFAOYSA-N	309.322	1.563	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2cccc3ccccc23)n(C)n1	128421218	PDHWQCKUDKPSFD-UHFFFAOYSA-N	322.368	1.885	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)CO[C@H](C)CC	127818531	AZUPIJFVCNKTAR-GFCCVEGCSA-N	308.378	1.590	50	20	DDGD	
Cc1c(C(=O)NNc2nccn(C)c2=O)cnn1CCC(C)C	124017933	VHCUBTMSOVJWCH-UHFFFAOYSA-N	318.381	1.088	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnn(Cc2ccccc2)c1	129657360	OKVBJWZWQQBMLF-UHFFFAOYSA-N	315.377	1.676	50	20	DDGD	
O=C(NNc1ncccn1)C1=NN(Cc2ccccc2)C(=O)CC1	124954931	XZDUBJVEFKOXRW-UHFFFAOYSA-N	324.344	1.098	50	20	DDGD	
CN(C)C(=O)c1cc(NC(=O)NNc2ccncc2)ccn1	183082234	XWVCEBLVINKSDA-UHFFFAOYSA-N	300.322	1.327	50	20	DDGD	
CNc1nc(C(=O)NNC(=O)c2ccccc2OC)cs1	120951755	SEFKTCOIJQPNEB-UHFFFAOYSA-N	306.347	1.268	50	20	DDGD	
Cn1nccc1NC(=O)NNC(=O)Cc1ccc2ccccc2c1	124623711	GBPXGLCFCFVTDZ-UHFFFAOYSA-N	323.356	1.969	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCc1ccc(Cl)cc1	123048817	PLFXFTSQQOBQBX-UHFFFAOYSA-N	313.785	1.640	50	20	DDGD	
Cc1c(C(=O)NNc2ccnc(F)c2)cnn1-c1ccccn1	182489057	ZDQHBGNJWLOBNN-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCOC[C@H]1c1nc(C)cs1	189042044	WQHNYPWMFQBKRF-VNKGSWCUSA-N	307.375	1.795	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cc(Cl)ncc1Cl	189105606	VWLBJAZDJGHUSG-UHFFFAOYSA-N	319.148	1.075	50	20	DDGD	
C[C@H](O)[C@@H](C)SCC(=O)NNC(=O)c1ccccc1Cl	79050077	ICMAALSIXNBVIQ-DTWKUNHWSA-N	316.810	1.604	50	20	DDGD	
CC1(C)CC(NC(=O)NNC(=O)c2ccccc2)CC(C)(C)N1	45864142	FJZNTENVQOFTOR-UHFFFAOYSA-N	318.421	1.940	50	20	DDGD	
O=C(NCc1ccc(O)c(F)c1)NNc1nc2ccccn2n1	189181701	ACIPKCJEWBABCO-UHFFFAOYSA-N	316.296	1.400	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)Nc1ccc(F)c(F)c1F	182737186	WJTYATXVXVTFFJ-UHFFFAOYSA-N	313.239	1.222	50	20	DDGD	
CSC[C@@](C)(O)CNC(=O)/C(C#N)=C\c1ccc(F)cc1	183211885	PXHSFQIFCGVUMS-XCHKQJEOSA-N	308.378	1.963	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1	89374070	PBMDDUAXJSQASZ-SECBINFHSA-N	311.769	1.150	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccccc1Cl)C1CCCC1	193120060	VDEXEUNUDZFQCI-UHFFFAOYSA-N	309.797	1.975	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)COCC(F)(F)F)cc1	192498438	CRJGKDJEFIETKH-UHFFFAOYSA-N	320.267	1.100	50	20	DDGD	
CNC(=O)c1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1	192972939	UHIXVYZPIKPJRN-NTEUORMPSA-N	309.325	1.863	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCc1nccs1	193670101	BMPKNFDLTBFQEM-UHFFFAOYSA-N	320.374	1.225	50	20	DDGD	
O=C(NNC(=O)C(=O)Nc1ccccc1)NC1CCCCC1	192720577	JMLPZKOCWNNWON-UHFFFAOYSA-N	304.350	1.288	50	20	DDGD	
COc1ccccc1C(C)(C)C(=O)NNC(=O)c1cnn(C)c1	265344398	RXMZYCUHJFLWJB-UHFFFAOYSA-N	316.361	1.168	50	20	DDGD	
COc1ccc(C=NNC(=O)c2ccc3c(c2)OCO3)cc1O	263629070	SEVOSDCOCZONSQ-UHFFFAOYSA-N	314.297	1.893	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C1CCC1)c1cccc([N+](=O)[O-])c1	264745490	PZWWGMYAQKLRDV-SECBINFHSA-N	306.322	1.786	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNC(=O)c1ccc2ccccc2n1	268124064	CLVJQFJYFHWEPI-SNVBAGLBSA-N	315.329	1.195	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)c2cccc3ncccc23)O1	268198211	TVGPIJVTLOHRTD-NHYWBVRUSA-N	313.357	1.953	50	20	DDGD	
CN(C)Cc1cccc(CNC(=O)NNC(=O)C2CCC2)c1	264772017	WGPJJCKKJZPQAP-UHFFFAOYSA-N	304.394	1.379	50	20	DDGD	
CCOC(=O)c1sc(NC(=O)NNC(=O)C2CC2)cc1C	274119658	SHEFDYHYTFEVOU-UHFFFAOYSA-N	311.363	1.796	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=O)CC(C)(C)C)cc1F	277532972	MQPLPIBHTYZXMX-UHFFFAOYSA-N	309.341	1.981	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(-c2cccc(OC)c2)n[nH]1	272705694	WAPCVOJXKNRYRP-UHFFFAOYSA-N	317.349	1.391	50	20	DDGD	
CCOC(=O)c1cc(NC(=O)NNC(=O)CC(C)C)cn1C	273432525	LHKXDEJCEPJFQK-UHFFFAOYSA-N	310.354	1.401	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCC(C)(C)CCCO	271867255	YXVHADHXYBIBHW-UHFFFAOYSA-N	323.393	1.438	50	20	DDGD	
COc1ccc(NNC(=O)NCC2CCN(C3CC3)CC2)nc1	278196347	PMVRUAZFGJNPDL-UHFFFAOYSA-N	319.409	1.591	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc(OC)cc1OCCC(C)C	276768283	GQYMRDRWASLOCX-UHFFFAOYSA-N	309.366	1.694	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NC1CC(F)(F)C1	277474032	MUYGFJIDGOBFPV-UHFFFAOYSA-N	301.268	1.496	50	20	DDGD	
CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)c1ccc(C)cc1O	273211696	NJOWPZIHGWHGER-NSHDSACASA-N	307.394	1.628	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)[C@H](C)CN1CCOCC1	281716691	IFLIBOKKLLUSAH-CQSZACIVSA-N	305.422	1.969	50	20	DDGD	
C=CCCCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	281235249	NCZPAMWBSPJOLD-UHFFFAOYSA-N	303.362	1.746	50	20	DDGD	
COC[C@H](NC(=O)NNc1ccc2c(O)nccc2c1)C1CC1	287807522	OUDVRDPOJYFUMB-AWEZNQCLSA-N	316.361	1.992	50	20	DDGD	
Cc1nc2ccc(NC(=O)NNC(=O)CC3CCCC3)cn2n1	289558829	FWJYBFIMSJRNTB-UHFFFAOYSA-N	316.365	1.771	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	377817268	RCUVKILXZOHLJS-HEHGZKQESA-N	318.373	1.200	50	20	DDGD	
Cn1cc2c(n1)CCC[C@H]2C(=O)NNc1ccc(Cl)nn1	370251759	LRDHOZMIUYLFAB-MRVPVSSYSA-N	306.757	1.427	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@@H]2CC=CC[C@H]2C)cc1	287252328	WWORGPHEVGSUAO-IUODEOHRSA-N	317.389	1.857	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	283786010	SHIQLUZOANIJBI-CYBMUJFWSA-N	301.293	1.933	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(S[C@@H]2CCOC2=O)cc1	286213794	FFSGRWBIRCFBKH-LLVKDONJSA-N	324.358	1.437	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(OCCC(=O)NNC(=O)C2CCC2)c1	281455543	FLJJISYEIQEUFP-UHFFFAOYSA-N	321.333	1.620	50	20	DDGD	
O=C(NNc1cccnn1)N[C@H]1CCO[C@@H]1c1cccnc1	287095099	VSLYKRVCGNINMK-WCQYABFASA-N	300.322	1.028	50	20	DDGD	
C[C@@H](Sc1ccccc1C(=O)NNC(=O)CC1CC1)C(N)=O	294104468	JKQPBRCGKYPGHU-SECBINFHSA-N	321.402	1.214	50	20	DDGD	
COC(=O)NNC(=O)CCc1nc(-c2ccc(OC)cc2)no1	298081665	PBSZEISURQFJAJ-UHFFFAOYSA-N	320.305	1.065	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@H](CO)CC1	294515365	KPHKATROTFSKCS-ZDUSSCGKSA-N	313.829	1.973	50	20	DDGD	
CNc1nc(C)cc(C(=O)NNc2cc(C#N)cc(Cl)n2)n1	807182754	ICJFTXUYSWCBPS-UHFFFAOYSA-N	317.740	1.504	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C(=O)c2ccc(O)cc2)c1	807211999	NDKZXCVPLJJAPK-UHFFFAOYSA-N	314.297	1.505	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)CSC1CC1	295614964	VRCSZOYVIVQLMK-UHFFFAOYSA-N	312.416	1.527	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)CSC1CC1	294297244	IGXQZAOVILAVRR-UHFFFAOYSA-N	310.375	1.117	50	20	DDGD	
COCCOc1cc(OC)ccc1C(=O)NNC(=O)CC1CC1	294010886	BJNHUEQXNQFORE-UHFFFAOYSA-N	322.361	1.282	50	20	DDGD	
CC(C)(C)c1nsc(NC(=O)NNc2ncncc2F)n1	292931340	MOXBPRIOYYWXRT-UHFFFAOYSA-N	311.346	1.913	50	20	DDGD	
CC(C)OC(=O)/C(C#N)=C/c1ccc(F)c(S(N)(=O)=O)c1	806565515	NCRZMGCFVZGKQC-BJMVGYQFSA-N	312.322	1.332	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)COCc1ccccn1	807426065	HSBMPJFLSNWYNU-UHFFFAOYSA-N	301.350	1.655	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cncc(C(F)(F)F)c1	809739022	UPUJOPUQHCVWIC-UHFFFAOYSA-N	301.203	1.786	50	20	DDGD	
COCCOCc1ccc(C=NNC(=O)c2cc(C)[nH]n2)cc1	807976373	OKFKNHKKHFNEIM-UHFFFAOYSA-N	316.361	1.645	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@@H]2CCCCO2)cccc1[N+](=O)[O-]	297591908	YKIZJHJWAZMYOO-LBPRGKRZSA-N	322.321	1.625	50	20	DDGD	
CN(C)c1nccc(NNC(=O)Cc2n[nH]c3ccccc23)n1	806901084	FAFPAKQAHKXDJD-UHFFFAOYSA-N	311.349	1.105	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNc2cc(Cl)nc(N)n2)cn1	807207817	FSJNRWKIHXKLTJ-UHFFFAOYSA-N	321.772	1.557	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)C(=O)N2CCC[C@@H](C)C2)c1	293952133	OYQTVYMBUOBKSY-LLVKDONJSA-N	318.377	1.347	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H]1CCc2ccccc2OC1	801067480	YNCQVQYICDPRKC-ZDUSSCGKSA-N	305.378	1.757	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)C(C)(C)c2ccccc2)cn1	814841796	JKKPSMYYWADEJL-UHFFFAOYSA-N	311.389	1.971	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1cc(Cl)ccc1[N+](=O)[O-]	814957966	UYEIVYRSRSEPMK-UHFFFAOYSA-N	307.697	1.664	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NNc1ncncc1F	817071125	QCMOWDKZKUBMQK-PELKAZGASA-N	304.281	1.287	50	20	DDGD	
O=C(NNC(=O)c1cc(C2CCCCC2)[nH]n1)c1ccnnc1	817693957	XJBNMAQQIHABMC-UHFFFAOYSA-N	314.349	1.322	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C(C)(C)O)sc2ccc(C#N)cc12	816360030	LQJGDAMRZBUYBI-UHFFFAOYSA-N	317.370	1.613	50	20	DDGD	
CC1(C)CC(=NNC(=O)C2CCN(c3ncccn3)CC2)C1	814837293	OYDDHNQPYJNYTQ-UHFFFAOYSA-N	301.394	1.985	50	20	DDGD	
C[C@H](NC(=O)NNc1ncncc1F)c1cccc(C#N)c1	814308748	RODWFJXYXRGKCV-VIFPVBQESA-N	300.297	1.875	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1ccc(-n2cccn2)cc1	815001783	BXWSSTBDGJSTEH-UHFFFAOYSA-N	306.329	1.845	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)c2cccc3ncccc23)n1	815489692	BKGXEBLTNFWEHU-UHFFFAOYSA-N	324.344	1.229	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1COc2c(Cl)cccc21	814854535	LLQZOUOEPYDXMA-UHFFFAOYSA-N	323.780	1.858	50	20	DDGD	
Cn1cc(C=NNC(=O)c2cccc(C#N)c2)c(C(F)F)n1	812225957	UIFSKHXLYAABDP-UHFFFAOYSA-N	303.272	1.993	50	20	DDGD	
CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1cccc(C2CC2)c1	814834974	DCEULGCWKVHNHP-NSHDSACASA-N	323.418	1.342	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)c2cccc(C)n2)cs1	816546160	ZGSVRSAFRLSWFT-UHFFFAOYSA-N	303.343	1.729	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)N=c2cc[nH]cc2)[C@@H](C)C1	815003193	ITTUPZJIRHKOMT-RYUDHWBXSA-N	318.377	1.980	50	20	DDGD	
CC(C)(C#N)[C@@H]1CCCC1=NNC(=O)C(=O)Nc1ccccn1	814869040	AXTCWJSISJNOCZ-LLVKDONJSA-N	313.361	1.842	50	20	DDGD	
COc1cccc(NCC(=O)NN=C(C)c2ccc(N)nc2)c1	814764499	SZYDEQRKKNJMIO-UHFFFAOYSA-N	313.361	1.625	50	20	DDGD	
COC(=O)CCC[C@@H]1CCCC(=NNC(=O)Cc2cc[nH]n2)C1	814955548	MAGUCIAOSMHZEK-LBPRGKRZSA-N	320.393	1.958	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2O)c(F)c1	729663134	VYTPUGORNXZXCP-UHFFFAOYSA-N	324.333	1.463	50	20	DDGD	
CC(=NNC(=O)NC(C)C)c1ccc(-c2nn[nH]n2)cc1F	823948762	WWZXVZNPMLGVPF-UHFFFAOYSA-N	305.317	1.437	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCCc2ccccc2)nn1C	727714993	BBQOEHYYHKXALY-UHFFFAOYSA-N	300.362	1.512	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)CS(=O)(=O)C1CC1	828610586	NGGBQJWNHHQNEU-UHFFFAOYSA-N	319.386	1.564	50	20	DDGD	
C[C@@H](CO)N(CC1CCC1)C(=O)/C(C#N)=C\c1cnn(C)c1	491173637	DKWVYECTLGGWFQ-CJTQKWKHSA-N	302.378	1.337	50	20	DDGD	
CC(C)Cc1ncc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)s1	823475572	QDMJZPDERYAIEG-VHSXEESVSA-N	311.407	1.528	50	20	DDGD	
O=C(CC(F)(F)F)NN=Cc1cc(-c2nn[nH]n2)cs1	822935827	OPSVTJARQZUHHN-UHFFFAOYSA-N	304.257	1.331	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CC23CCOCC3)cc(C#N)n1C	491086862	VLSZSAUVEKKIFS-SNQWNFELSA-N	324.384	1.797	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(-n2ccc(C)n2)cc1	495810616	WNLCRJNZPFUCDV-UHFFFAOYSA-N	303.322	1.963	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(C)n(CC(F)(F)F)c1C	823841357	ICVKDOAAXGGJFG-UHFFFAOYSA-N	307.316	1.626	50	20	DDGD	
O=C(C[C@H]1CC(=O)NC1=O)NNc1ccccc1C(F)(F)F	827801837	MXICNGCBHOLVRK-SSDOTTSWSA-N	315.251	1.201	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCC1	496161291	LTSLUUQYPRHQKV-JTQLQIEISA-N	314.386	1.030	50	20	DDGD	
CC(C)OC(=O)CCNC(=O)/C(C#N)=C/c1ccc(O)cc1	491174265	GWYOJVSCWAGFEK-UKTHLTGXSA-N	302.330	1.757	50	20	DDGD	
Cc1ccc([C@H]2C[C@@H](C)N(CC(=O)NNC(=O)C(C)C)C2)cc1	829312497	ATHRVHBGRBJJED-ZBFHGGJFSA-N	317.433	1.976	50	20	DDGD	
C[C@@H]1C[C@@H](c2ccsc2)CN1C(=O)c1cccc(B(O)O)c1	584949018	FTTYWQJPDMJADD-BXUZGUMPSA-N	315.203	1.446	50	20	DDGD	
CN1CCC[C@H](CN(C)C(=O)/C(C#N)=C\c2cnn(C)c2)C1	491006127	CZIBRJGJCQEYNY-XKBFBRDOSA-N	301.394	1.127	50	20	DDGD	
C#CC1CCN(C(=O)NNC(=O)c2cccc3cccnc23)CC1	825821071	FYTARMYBGCEAAO-UHFFFAOYSA-N	322.368	1.934	50	20	DDGD	
CO[C@H](c1ccc(Cl)cc1)[C@H](C)NCc1ccc(B(O)O)o1	585027579	BPDXYMCRVKRUPZ-BONVTDFDSA-N	323.585	1.479	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1cc(C)c(OC)cc1C(C)C	901822302	RBZABJFXMOOTJG-UHFFFAOYSA-N	316.379	1.676	50	20	DDGD	
Cc1ccc(N2CCCC2)c(C(=O)Nc2cccc(B(O)O)c2)c1	584913320	TZKGGYVBUCAXLM-UHFFFAOYSA-N	324.189	1.527	50	20	DDGD	
CO[C@]1(C)C[C@H](NC(=O)/C(C#N)=C\c2cnn(C)c2)C1(C)C	491044056	BEKVKNXZXHAMJZ-HYLKFUCISA-N	302.378	1.647	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC=C(c2ccco2)C1	827266664	DDFUBWQMABBRKO-AAEUAGOBSA-N	319.361	1.535	50	20	DDGD	
CC(C)CC1CCN(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CC1	827290658	XTBJATPGBZUFBB-OCCSQVGLSA-N	311.426	1.910	50	20	DDGD	
CN1C(=O)Cc2cc(CNS(=O)(=O)CCCCl)ccc21	908553031	NECDPTVJPVIDJZ-UHFFFAOYSA-N	316.810	1.254	50	20	DDGD	
CCOC(=O)N[C@H](C(=O)NN(C)C(=O)OC(C)(C)C)C(C)C	496451252	BOGOJNFAXQFNAY-JTQLQIEISA-N	317.386	1.655	50	20	DDGD	
CC[C@@H](C)CCC(=O)NNC(=O)CNC(=O)OC(C)(C)C	495692350	VRZLYQNEBCUTNP-SNVBAGLBSA-N	301.387	1.485	50	20	DDGD	
COC(=O)N(C)NC(=O)c1nn(-c2ccccc2F)cc1O	495823651	PNTPFSSJABBFAE-UHFFFAOYSA-N	308.269	1.060	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNc1ccc(F)c(C(=O)OC)c1	837039957	VQTLRGNCCGOFGX-VHSXEESVSA-N	312.341	1.974	50	20	DDGD	
CC[C@@H]1CCCCN1CCNC(=O)NNC(=O)C1CCCC1	737068124	UWEBHYMQJHXQHU-CQSZACIVSA-N	310.442	1.772	50	20	DDGD	
Cc1ncsc1C(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1	737499795	KKMCNDHCFOEUBG-UHFFFAOYSA-N	313.346	1.396	50	20	DDGD	
O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@@H](B(O)O)C1	585079271	WNSGIPSIPKDLOZ-ZCFIWIBFSA-N	305.021	1.062	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)Cn1nc(C)cc1C)C1CCCC1	838702608	GONZJOJCMVVKRB-AWEZNQCLSA-N	321.425	1.799	50	20	DDGD	
CC(C)[C@@H](CNCc1ccc(B(O)O)o1)Nc1ccccc1	585015081	NZJANMHSXHQKHD-OAHLLOKOSA-N	302.183	1.186	50	20	DDGD	
CCC(=O)N1CC[C@H](NC(=O)[C@@]2(C)C[C@@H]2Br)C1	907016677	AEJNXHDNICWBEE-AUTRQRHGSA-N	303.200	1.287	50	20	DDGD	
O=C(C[C@@H]1OCCc2ccccc21)NNC(=O)CC(F)(F)F	734547801	PMDARMLHNJZDRU-NSHDSACASA-N	316.279	1.790	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCO2)NNc1ccc(Cl)nn1	735687717	WBDLWSRHFVWWDT-UHFFFAOYSA-N	304.737	1.751	50	20	DDGD	
O=C(NNC(=O)C1CCN(CC(F)(F)F)CC1)C1CCC1	732142112	SOZBDUAAMCYQOO-UHFFFAOYSA-N	307.316	1.208	50	20	DDGD	
CC(C)C1CCC(N(C)C(=O)c2ccc(B(O)O)c(F)c2)CC1	584982040	IARBETUMUPMHFT-UHFFFAOYSA-N	321.201	1.792	50	20	DDGD	
COc1ccc(C(=O)NNc2ccccc2S(C)(=O)=O)cn1	732303201	BHQQDAAZKMFYMQ-UHFFFAOYSA-N	321.358	1.251	50	20	DDGD	
COc1cccc(NNC(=O)NCCOCC2CCCC2)n1	836672804	UCPJHLYBFSINGA-UHFFFAOYSA-N	308.382	1.923	50	20	DDGD	
CCOCCOCCN(C)C(=O)[C@@]1(C)C[C@@H]1Br	907655448	ZYRKIVCLWNKQSQ-JQWIXIFHSA-N	308.216	1.671	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1	832977578	UUFWIWQDWVXGPE-VXGBXAGGSA-N	304.346	1.647	50	20	DDGD	
CO[C@@H]1Cc2ccc(NC(=O)NNc3ncncc3F)cc2C1	836509739	LFYLDIUUUFSKET-GFCCVEGCSA-N	317.324	1.878	50	20	DDGD	
CCc1ocnc1C(=O)NNc1nc2ccccc2c(=O)n1C	739730260	BNWYBMZFVZVXJF-UHFFFAOYSA-N	313.317	1.241	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](C)CS(C)(=O)=O)c(Cl)c1	838471357	JROFIEMKFDEDDY-VIFPVBQESA-N	319.814	1.708	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNC(=O)CCOc1ccccc1	838776910	VUVXIEKTPRIUNQ-KGLIPLIRSA-N	321.377	1.353	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(-c2cnn(C)c2)ccc1F	910151874	KJEFJPZCTFKYMG-SNVBAGLBSA-N	306.341	1.184	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1	747064171	WQEXLZPBORMQMB-FPMFFAJLSA-N	314.414	1.856	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)[C@@H]2Cc3ccccc32)cc1	742033453	OPKLKJZQQFUFIW-MRXNPFEDSA-N	321.336	1.424	50	20	DDGD	
O=C(CCc1ccco1)NNC(=O)Nc1ccc2c(c1)OCO2	748330446	ZIPCQYOZLKMNKG-UHFFFAOYSA-N	317.301	1.794	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	746782669	WVOQRUHEFJXDQG-LBPRGKRZSA-N	312.391	1.606	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccccc1)Cc1cccc(O)c1	748817134	JWLKUJVCHDJOHI-UHFFFAOYSA-N	313.357	1.285	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccccc1[N+](=O)[O-]	916524844	RCBYZNQUHXXOIX-UHFFFAOYSA-N	306.200	1.101	50	20	DDGD	
O=C(NC[C@H]1CCCNC1)NNc1ncnc2ccsc12	841928990	WKHQTHAIEXVVRW-VIFPVBQESA-N	306.395	1.317	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@@]2(O)CCSC2)c1	843870701	YLKDJVFTKNVBTM-CQSZACIVSA-N	324.406	1.091	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)CN2CCCCC2=O)o1	749941303	FFXAZNQCINHKRJ-UHFFFAOYSA-N	305.338	1.125	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1c[nH]c2ccc([N+](=O)[O-])cc12	842561396	KOFFDBUCTZPSGL-JOYOIKCWSA-N	316.317	1.951	50	20	DDGD	
CCn1nncc1C=NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	841636410	VHQYVMNOZLKZEW-SNVBAGLBSA-N	321.768	1.869	50	20	DDGD	
CCN1CCC(=NNC(=O)CNc2cccc(OC)c2)[C@H](C)C1	741456897	SYSMYFQQMRDZCQ-CYBMUJFWSA-N	318.421	1.941	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	842114387	NJDAOLVVKVPGLS-NWDGAFQWSA-N	316.398	1.173	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)C1CCCC1)c1ccccc1	916271500	VBXSSEIWHCPMQT-AWEZNQCLSA-N	305.378	1.895	50	20	DDGD	
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1cnn(C)c1	741771420	OMLAUTFOKTVJNJ-UHFFFAOYSA-N	303.278	1.188	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)Cc1ccc(F)cc1Br	910161607	WUZOOOMTFKZVMF-MRVPVSSYSA-N	319.174	1.475	50	20	DDGD	
COc1ccc(C2(C(=O)NN(C)C[C@@H](C)O)CCCC2)cc1	910167209	DWIZEXFLUAIRBN-CYBMUJFWSA-N	306.406	1.851	50	20	DDGD	
C[C@H]1CC(=NNC(=O)[C@H](C)CN2CCCCC2)c2ncnn21	841614250	IYUZAYOBFNDTML-NEPJUHHUSA-N	304.398	1.185	50	20	DDGD	
COc1cccc(NCC(=O)NN=C[C@]2(OC)CCOC2)c1	841615095	VOZORXZIPUCJTL-OAHLLOKOSA-N	307.350	1.015	50	20	DDGD	
CCCCNC(=S)NNC(=O)CCCNC(=O)C(C)(C)C	849201738	VJJFHVLROFLTNU-UHFFFAOYSA-N	316.471	1.224	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H]2NC(=O)O[C@H]2C)cc1C	841439444	YCTQFXWZOPZQBV-JOYOIKCWSA-N	321.333	1.112	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1csc(C(C)(C)C)n1	843648581	REXBMPRPCJJXDS-DTWKUNHWSA-N	311.407	1.627	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(-c2cnco2)cc1	843641885	DCHGKPIEBISMAS-GWCFXTLKSA-N	315.329	1.528	50	20	DDGD	
CS(=O)(=O)c1ccc(C=NNC(=O)NC2CCCC2)s1	841621791	NGDVQGHLWULMAA-UHFFFAOYSA-N	315.420	1.727	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H]1CCO[C@@H](c2ccccc2)O1	847393790	HVDHZYKWKCWCNK-TZMCWYRMSA-N	307.350	1.231	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1ccc(N2CCOCC2)cc1	842553475	HNJQKRXAQLTBSS-CJNGLKHVSA-N	317.389	1.398	50	20	DDGD	
Cc1ccc2c(c1)OCCN2CC(=O)NNC(=O)C(C)(C)C	744405454	SBVPGAYGXDNSFF-UHFFFAOYSA-N	305.378	1.387	50	20	DDGD	
Cc1nnc(NNC(=O)c2ccc3c(c2)CC(C)(C)O3)nc1O	844127848	IQYJHICSHJCECB-UHFFFAOYSA-N	315.333	1.356	50	20	DDGD	
C[C@H](C(=O)NNc1nc2ccccc2n1C)C(=O)OC(C)(C)C	848381848	VZELPFXHCOYEKL-SNVBAGLBSA-N	318.377	1.994	50	20	DDGD	
CC[C@@](C)(O)C(=O)NNC(=O)c1ccc(Br)s1	929337595	IDSLZHKJUJEYBC-SNVBAGLBSA-N	321.196	1.433	50	20	DDGD	
CO/C(=C\c1ccccc1)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843973809	ZONPMCLMTFKOKK-LCZUYKTBSA-N	304.346	1.246	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](c2nc(-c3cccc(B(O)O)c3)no2)CCO1	924145732	KHBIYAJGQNZXEE-JSGCOSHPSA-N	316.166	1.335	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(C)n1C(C)C	843972000	DGQQJEKAFSGMAT-OLZOCXBDSA-N	307.394	1.872	50	20	DDGD	
CCO[C@@H]1COCC[C@@H]1NC(=O)NNc1cc(F)ccc1F	921957785	UWECDGIBOLUIKZ-WCQYABFASA-N	315.320	1.785	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@@H]1CS[C@@H](C)C1	840420175	QZMDIHGTZTVSPL-AAEUAGOBSA-N	307.419	1.762	50	20	DDGD	
COCCOCCNC(=O)NC[C@]1(C)C[C@@H]1Br	856825845	CKCLZMOGTHPERG-ONGXEEELSA-N	309.204	1.122	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2	759290351	KZZMFHKFZLHSKS-UHFFFAOYSA-N	316.273	1.518	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)o1	752275228	SBODBPRGIQTNBA-UHFFFAOYSA-N	303.274	1.783	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)CCCNC(=O)C(C)(C)C)c2ncnn21	853408752	WCJSXKFXFLXQLM-SNVBAGLBSA-N	320.397	1.006	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12	858703703	APRXBTOCBUMCQH-RFSPMECJSA-N	303.366	1.178	50	20	DDGD	
CO[C@H](C)CS(=O)(=O)NC[C@@]1(C)C[C@@H]1Br	856754163	CPEVWRNKNWFTER-HRDYMLBCSA-N	300.218	1.114	50	20	DDGD	
COc1cc(CC(=O)NNC(=S)N[C@@H](C)C2CC2)ccc1O	855095510	OHUPVIUBQVGZSS-VIFPVBQESA-N	323.418	1.237	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H](C)OCc1ccc(C)cc1	858126367	ZXFGJNKTWWGKIM-LBPRGKRZSA-N	307.419	1.581	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)on1	753616517	LXQQFWGVYRPIKF-MRVPVSSYSA-N	323.280	1.051	50	20	DDGD	
C[C@H](CNC(=O)NNc1ncc(Cl)cn1)Cn1cccn1	856845626	PZWSTIHVMYWKRT-SECBINFHSA-N	309.761	1.289	50	20	DDGD	
C[C@]1(CNC(=O)c2cnn3ncccc23)C[C@H]1Br	857394953	PWPZPYBJRBDSPK-ZYHUDNBSSA-N	309.167	1.633	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)C	854927677	OBTKLIOVWXRECQ-VIFPVBQESA-N	303.428	1.068	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)C2CCCC2)C[C@@H](C(F)(F)F)O1	753339572	KISKFXJPBFMIQJ-WPRPVWTQSA-N	323.315	1.569	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNC(=O)Cc1ccc(Cl)cc1	929333180	MVSPXOHGQBMWGZ-VXGBXAGGSA-N	324.764	1.229	50	20	DDGD	
C[C@]1(CNC(=O)NNc2ccncn2)C[C@@H]1Br	856896850	HMUHTRYQIPDWLN-OIBJUYFYSA-N	300.160	1.276	50	20	DDGD	
CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)NNC(=O)C1CCCC1	753033415	CBGYQQIISWWJBC-KGLIPLIRSA-N	311.426	1.958	50	20	DDGD	
C#CCCCC(=O)OCC(=O)NNC(=O)c1cccc(C)c1	759182299	HXJXZQKTXWQEDR-UHFFFAOYSA-N	302.330	1.103	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)Cc1ccccc1C	859784383	NWXCEXUXQRRLDM-CHWSQXEVSA-N	320.389	1.663	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCC2(O)CCC2)c1C	854053168	KCTVOUHSLLGXGM-UHFFFAOYSA-N	321.377	1.713	50	20	DDGD	
Cc1nn(C(C)(C)C)c(C)c1C=NNC(=O)c1cnccn1	755631126	FUNXNTQDJYKYTK-UHFFFAOYSA-N	300.366	1.809	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1cncc(Br)c1	853336687	JKCUNJMQGQQABS-UHFFFAOYSA-N	300.156	1.455	50	20	DDGD	
Cc1cccc(Cl)c1C(=O)NNC(=O)N1CCN(C)CC1	854382670	IFFBGQGYZJBQTJ-UHFFFAOYSA-N	310.785	1.250	50	20	DDGD	
CC(C)(C(=O)NNc1ccnc(Cl)c1)n1cc([N+](=O)[O-])cn1	855468904	LWIIVLARNJJWMY-UHFFFAOYSA-N	324.728	1.718	50	20	DDGD	
C[C@]1(CNC(=O)N[C@H](CN)C2CCCC2)C[C@@H]1Br	857103583	LLOFPIDEBGQDAB-NTZNESFSSA-N	318.259	1.977	50	20	DDGD	
C[C@@](O)(CC(=O)NNC(=O)c1cc2c(s1)CCC2)C1CC1	755404162	KUKRVXOGXVNHCN-OAHLLOKOSA-N	308.403	1.549	50	20	DDGD	
O=C(NN=Cc1ccc(OC(F)F)c(F)c1)N1CCOCC1	754706815	QOJVJVKAAFUZJZ-UHFFFAOYSA-N	317.267	1.803	50	20	DDGD	
CCOC(=O)c1cc(C(=O)NNc2cccc(C)n2)[nH]c1C	862519370	CSQLPUVTXAORRS-UHFFFAOYSA-N	302.334	1.960	50	20	DDGD	
N#C[C@H]1CCCN(CC(=O)NNC(=O)c2cccc(Cl)c2)C1	932156114	WDVXLKOISVAVAQ-LLVKDONJSA-N	320.780	1.337	50	20	DDGD	
O=C(NC[C@@H](O)c1ccc(F)cc1)NNC(=O)C1CCCC1	767874925	PZJJISAAQWRZRO-CYBMUJFWSA-N	309.341	1.380	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNC(=O)Cc1ccncc1	764487933	UQHNEKDDMPJUMI-JTQLQIEISA-N	315.377	1.305	50	20	DDGD	
CC(C)C[C@@H](C(=O)NN[C@@H](C)C(F)(F)F)N1CCCCC1=O	862310716	DNPJQRSREWFCFC-QWRGUYRKSA-N	323.359	1.985	50	20	DDGD	
CNC(=O)[C@H]1CCC[C@H]1NC(=O)NNc1cccc([N+](=O)[O-])c1	766277074	COVBMJBGJQVGME-NWDGAFQWSA-N	321.337	1.136	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCc1ccn(C)n1	760655625	AJKFISBUDNPURM-UHFFFAOYSA-N	309.801	1.445	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)CC(F)(F)F)c1ccncc1	768986023	RFJASQSKFZTNCC-UHFFFAOYSA-N	318.299	1.642	50	20	DDGD	
Cc1cc(C)c2c(c1)C(=NNC(=O)[C@@H]1CCC(=O)N1)CCO2	863145656	PWINVFJMCDKVJU-ZDUSSCGKSA-N	301.346	1.185	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC(OCCO)CC1	768324970	QVZBEZWEVSJKBE-LLVKDONJSA-N	322.243	1.796	50	20	DDGD	
Cc1nnnn1/C(=C\c1ccccc1)C(=O)N1CC=C(C#N)CC1	760004024	SDOABOIOHXMTKM-WJDWOHSUSA-N	320.356	1.662	50	20	DDGD	
Cc1nc([C@@H]2CCOC2)sc1C(=O)NNc1ncncc1F	868540887	NBUWNZXGGQMNQD-MRVPVSSYSA-N	323.353	1.641	50	20	DDGD	
CCOC(=O)N1CSC[C@@H]1C(=O)NNc1ccnc(F)c1	935307315	LDMOUJAVKWMFGZ-SECBINFHSA-N	314.342	1.195	50	20	DDGD	
CCCOc1cccnc1C(=O)NNC(=O)CC(F)(F)F	760811712	CYGDSQJHMKYFJZ-UHFFFAOYSA-N	305.256	1.584	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@H]2CCN2C2CCCC2)c1	862467250	NKIHGFASAKTOTP-OAHLLOKOSA-N	312.373	1.336	50	20	DDGD	
COc1ccc(NNC(=O)c2cccc(OC)n2)c([N+](=O)[O-])c1	768328803	JYMACNLMCXNNMA-UHFFFAOYSA-N	318.289	1.764	50	20	DDGD	
C#CCN(CC(=O)NNc1cccc(C)n1)C(=O)OC(C)(C)C	862518042	LGNSVAQHDDOWKW-UHFFFAOYSA-N	318.377	1.703	50	20	DDGD	
COC1(C=NNC(=O)[C@H](C)Oc2ccccc2F)CCOCC1	761766609	LJWZGTFMSWLHJX-LBPRGKRZSA-N	324.352	1.891	50	20	DDGD	
COc1cc(C(=O)NN=c2cc[nH]c(C)c2)cc(OC)c1C	862508460	RPNBRAVGWCEJCT-UHFFFAOYSA-N	301.346	1.894	50	20	DDGD	
NC(=O)Nc1ccc(C(=O)NNc2nc3ccccc3[nH]2)cc1	768503332	CRBDHYGKWBFWGO-UHFFFAOYSA-N	310.317	1.810	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Nc2cnn(CCF)c2)cc1	861484498	MVJWOFNJUBDZEY-UHFFFAOYSA-N	319.340	1.882	50	20	DDGD	
COC1(C=NNC(=O)COc2ccc(C#N)cc2)CCOCC1	761748742	DTCPJAACFKHWBW-UHFFFAOYSA-N	317.345	1.235	50	20	DDGD	
Cc1nc2ccnn2c(C)c1C(=O)NNC(=O)c1ccccc1	760331238	JEOZFUNEGQXGRR-UHFFFAOYSA-N	309.329	1.421	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ncc3n2CCCC3)c(O)c1	878324712	FBSKURINMSZFTE-UHFFFAOYSA-N	314.345	1.308	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)c1cn(C2CCOCC2)nn1	1118774332	AGGVZMHNUAHPLZ-UHFFFAOYSA-N	322.756	1.435	50	20	DDGD	
C[C@@]1(C(=O)N2CCC(S(C)(=O)=O)CC2)C[C@@H]1Br	1119564240	QWPPFHKQUQBYHJ-GXSJLCMTSA-N	324.240	1.196	50	20	DDGD	
COC[C@@H](C)n1ccc(NC(=O)NNc2nccnc2OC)n1	779934968	JTCVUSQHNZKASG-SECBINFHSA-N	321.341	1.038	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1ccn(C2CCCCC2)n1	1116805742	UQTLPZRPDGAAGS-UHFFFAOYSA-N	321.381	1.130	50	20	DDGD	
Cc1nnc(NNC(=O)c2cc(C)n([C@@H](C)C3CC3)n2)nc1O	777521901	KANXVTIDGRXMLY-VIFPVBQESA-N	317.353	1.118	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)n1	875292923	DBFAGXWXDRESAM-OLZOCXBDSA-N	319.409	1.663	50	20	DDGD	
COC(=O)C(=O)NNC(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C	1116186683	FDEHQRCQRISZQP-QWRGUYRKSA-N	313.398	1.342	50	20	DDGD	
C#CCOc1ccccc1C=NNC(=O)c1sc(N)nc1C	874110942	NKKQUVJWPBCRPG-UHFFFAOYSA-N	314.370	1.810	50	20	DDGD	
COc1ccc2c(c1)CC[C@@H](C(=O)NNC(=O)C(C)(C)C)C2	878249957	CFXQENLJQMEKBW-CYBMUJFWSA-N	304.390	1.994	50	20	DDGD	
COCCC[C@H](C)C(=O)NNC(=O)c1ccc2c(c1)OCO2	777958563	RHSDBGBXDWEITD-JTQLQIEISA-N	308.334	1.239	50	20	DDGD	
O=C(NNC(=S)NCC1CC1)c1nc2ccccc2s1	871691397	UIAPKQVLCHPLQK-UHFFFAOYSA-N	306.416	1.815	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1CCN(c2cccc(OC)c2)C1	875226771	XPRMGHMKSTUKOS-LLVKDONJSA-N	322.365	1.186	50	20	DDGD	
CC[C@@H]1[C@H](C)CCN1CC(=O)NNC(=O)c1ccc(C)cc1	775782367	FTXKVJRWZZSPCR-UKRRQHHQSA-N	303.406	1.876	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@@H]2CC[C@H](C)C2)c1	776452641	IRBFEVOWGIBFMM-NWDGAFQWSA-N	305.378	1.691	50	20	DDGD	
Cc1ccc([C@@H](O)CNC(=O)NNC(=O)C2CCCC2)cc1	770595570	HHVCBJZGFGERTG-AWEZNQCLSA-N	305.378	1.549	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@H](CC)c1cc(F)ccc1F	775454106	KQNGYQLOKLBGDC-TVQRCGJNSA-N	313.348	1.951	50	20	DDGD	
N=C1NC(=O)[C@H](CC(=O)NNc2c(F)cccc2Cl)S1	771672567	IDUDXIWNCCFLJX-ZETCQYMHSA-N	316.745	1.479	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)c1cccc(Cl)c1)[C@@H]1CCCO1	773557214	FEDVIBPTGANZAC-OLZOCXBDSA-N	321.764	1.465	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)C1CCOCC1	883064317	XWUIWSPZHOQXPN-WCQYABFASA-N	324.327	1.642	50	20	DDGD	
CCC[C@H](C)N1C[C@H](C(=O)NNc2ccnc(F)c2)CC1=O	781363387	ADPOCXCHAZHLRE-WDEREUQCSA-N	308.357	1.701	50	20	DDGD	
CCNC(=O)NNC(=S)Nc1ccc(Br)cc1	783731541	GRACNLUYXSMLNJ-UHFFFAOYSA-N	317.212	1.970	50	20	DDGD	
Cc1cccc2c(=O)n(CC(=O)N3CC=C(C#N)CC3)cnc12	780685101	LDIKNVWXCWETHB-UHFFFAOYSA-N	308.341	1.387	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Cc1cnn(CC)c1)c1ccccc1	780654421	DGJSMVSUTCCTEC-OAHLLOKOSA-N	314.389	1.787	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)NCc2ccc(Cl)cc2)CCOC1	787431505	CYWRNEVYHRJJLP-CQSZACIVSA-N	311.769	1.597	50	20	DDGD	
Cc1nnsc1C(=O)NNc1ccnc(Br)c1	788004466	WSFBPNXTFMGOIP-UHFFFAOYSA-N	314.168	1.761	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1ccc(Cl)nc1	788180575	ALAMZBJMJSHMGX-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2ccc([N+](=O)[O-])s2)ccn1	782225751	AMMJKGJYYXOSDW-UHFFFAOYSA-N	319.346	1.881	50	20	DDGD	
CN1CCCC[C@H](CNC(=O)NNc2cccc(C#N)c2)C1	897544900	ZVOALHPDNYNVJK-CQSZACIVSA-N	301.394	1.916	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cnccc2OC)cc1	783034589	CKRAQESRZUPJOX-UHFFFAOYSA-N	316.317	1.181	50	20	DDGD	
O=C(CCCc1ccc(O)c(F)c1)NNC(=O)c1ccncc1	786686718	ZWLWKMSXBILHQN-UHFFFAOYSA-N	317.320	1.710	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)c2cccc3ncccc23)cnn1C	794295775	KORCZRXFZYHEAZ-UHFFFAOYSA-N	323.356	1.280	50	20	DDGD	
O=C(NNC(=O)C1(c2cccnc2)CCCC1)C1CCOCC1	894101758	VSEPGRCOPCLAAJ-UHFFFAOYSA-N	317.389	1.467	50	20	DDGD	
COCc1cc(C=NNC(=O)CNc2cccc(OC)c2)no1	794878817	JEZZCNSGNVPRIZ-UHFFFAOYSA-N	318.333	1.392	50	20	DDGD	
O=C(Cc1ccn(CC(F)(F)F)n1)NNc1ccnc(F)c1	897707295	KVWJCWWRLUHJEP-UHFFFAOYSA-N	317.246	1.665	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1ccc2c(c1)CCC2	790180540	BDJUIZWWGOUZOB-UHFFFAOYSA-N	300.406	1.856	50	20	DDGD	
COC[C@H](C)n1ccc(NC(=O)NNc2ncccc2C)n1	792405743	ACDJFWFIYDANAZ-NSHDSACASA-N	304.354	1.943	50	20	DDGD	
COCCCNC(=O)NN=Cc1nccn1-c1ccccc1	790160161	XDANVURTMQMJPT-UHFFFAOYSA-N	301.350	1.542	50	20	DDGD	
CC(C)c1cc(CNC(=O)NNc2nc3ccccn3n2)on1	790357217	CRBZSNRWNQAUFH-UHFFFAOYSA-N	315.337	1.667	50	20	DDGD	
CC[C@H]1C[C@H](CC(=O)NNC(=O)c2cccc(C)n2)CCO1	794076522	PYIJBMVRQLIVCK-OLZOCXBDSA-N	305.378	1.746	50	20	DDGD	
CCCOc1ccc(C(=O)NN=C2C(=O)OC[C@@H]2C)cc1OC	794882611	PYPAFSRYXOCALR-JTQLQIEISA-N	320.345	1.763	50	20	DDGD	
Cc1cc(OCC(=O)NNc2ncccn2)ccc1[N+](=O)[O-]	797705744	WMFWYUPTVHKPCT-UHFFFAOYSA-N	303.278	1.215	50	20	DDGD	
O=C(CCc1cnccn1)NNc1ncnc2ccsc12	793680857	HFWYDVFAJWDNTO-UHFFFAOYSA-N	300.347	1.557	50	20	DDGD	
COCCN(CC(=O)NNC(=O)C(C)(C)C)[C@H]1CC[C@@H](C)C1	792463426	IPIZLICLYYOUGP-OLZOCXBDSA-N	313.442	1.317	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NNc1ncncc1Cl	798095996	WOSBLJWASKQHDF-ONGXEEELSA-N	311.773	1.737	50	20	DDGD	
Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NNC(=O)CCO	1320222449	ACGRQDNCVLYXSA-UHFFFAOYSA-N	322.365	1.125	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)c(C(C)C)n1	1325278514	OHRMORNDDCXHPS-ZDUSSCGKSA-N	305.378	1.844	50	20	DDGD	
O=C(NNc1cncc(Br)c1)[C@H]1C[C@@]12CCOC2	1320357824	IKSAXSQWDZVFGW-ZYHUDNBSSA-N	312.167	1.714	50	20	DDGD	
CCC(=NNC(=O)C[n+]1ccccc1)c1ccc(O)c(F)c1	1321540403	OUJUAQXUQVPTQE-UHFFFAOYSA-O	302.329	1.749	50	20	DDGD	
Cc1ccn(-c2cccc(C(=O)NNC(=O)c3c[nH]nc3C)c2)n1	1322956389	BQZURDZMINLIDL-UHFFFAOYSA-N	324.344	1.287	50	20	DDGD	
O=C(NNC(=O)[C@]1(F)CCOC1)C12CC3CC(CC(C3)C1)C2	1258436963	LNHVXAIWBFPZMJ-JHDFDTNZSA-N	310.369	1.479	50	20	DDGD	
COc1ccc(F)cc1CCNC(=O)NNc1ccc(C)nn1	1331409790	HSTJDFPBWHDROY-UHFFFAOYSA-N	319.340	1.802	50	20	DDGD	
C[C@@H]1CCc2nc(C=NNC(=O)c3ccnnc3)sc2C1	1331541181	LSNFPWCUUXBOIM-SECBINFHSA-N	301.375	1.822	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H](C)Cc1ccc(C#N)cc1	1332861193	HRMAEJWYJLYEQW-LLVKDONJSA-N	304.419	1.641	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CCc1ccc2c(c1)CCO2	1333985509	RSUANLKCXHMXFJ-UHFFFAOYSA-N	321.446	1.848	50	20	DDGD	
CC[C@H](CNC(=O)NC[C@]1(C)C[C@@H]1Br)C(=O)O	1340566063	ABNHNIVDQJZEAS-FYBVGQRMSA-N	307.188	1.570	50	20	DDGD	
O=C(O)COc1ccc(C=NNC(=O)C2CCOCC2)cc1	1262038686	VRPGVPZPROLGBZ-UHFFFAOYSA-N	306.318	1.027	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCC(C)CC1)c1ccnc(C)n1	1343642982	FYKRYLJWXISYKH-ZDUSSCGKSA-N	317.437	1.993	50	20	DDGD	
CC(C)[C@H](C=NNC(=O)CCO)CNC(=O)OC(C)(C)C	1344415674	JOBRBTDSDSXZHZ-NSHDSACASA-N	301.387	1.268	50	20	DDGD	
Cc1nc([C@H](C)NC(=O)NNC(=O)c2cccc(Cl)c2)no1	1346278181	UHRUOLBQKNHKBL-ZETCQYMHSA-N	323.740	1.737	50	20	DDGD	
CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C1CCC(Cl)CC1	1348148505	DMDJUKOIRFXBTF-HTAVTVPLSA-N	322.858	1.324	50	20	DDGD	
CSc1ccc([N+](=O)[O-])c(C(=O)NNc2cnnn2C)c1	1347710058	SEUMCRFEQZHVSJ-UHFFFAOYSA-N	308.323	1.202	50	20	DDGD	
CC(C)(CNC(=O)NNc1ccc(C#N)cn1)C1=CCOCC1	1528267706	LYYSRYRVFMKQEH-UHFFFAOYSA-N	315.377	1.952	50	20	DDGD	
Cn1c(C(=O)NNc2cccc(Cl)c2)ccc1-c1nn[nH]n1	1606213249	KYGLWAOMRUKHDD-UHFFFAOYSA-N	317.740	1.616	50	20	DDGD	
Cc1c(NNC(=O)NCc2ccc(O)nn2)cccc1C(=O)O	1600053503	HZYIHCZJXNKQDP-UHFFFAOYSA-N	317.305	1.015	50	20	DDGD	
N#CC1=CCN(C(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)CC1	1609494500	GDKMGWIJSNOIHZ-UHFFFAOYSA-N	314.736	1.816	50	20	DDGD	
Cc1cc(C=NNC(=O)COc2ccc(F)cc2)[nH]c1C(=O)O	1607633349	LUOPHGZQIMLGPH-UHFFFAOYSA-N	319.292	1.690	50	20	DDGD	
CCCOc1ccc(C(=O)NN[C@H](CC)C(=O)O)cc1OC	1605339170	YEIMJHCYHQVZQW-LLVKDONJSA-N	310.350	1.582	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)OC[C@@H]2CCCC[C@H]2C(=O)O)cn1	1600946422	MLEBYXGAGFAVKM-DIMCMJNSSA-N	317.345	1.761	50	20	DDGD	
N#Cc1cccc(NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)c1	1608218575	SJZRXQUKHQCSGQ-VIRABCJISA-N	311.341	1.914	50	20	DDGD	
Cn1c(C(=O)O)ccc1C(=O)NNc1ccc(F)c([N+](=O)[O-])c1	1608083501	JUURLJQPGQDTNS-UHFFFAOYSA-N	322.252	1.528	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccc(C(=O)O)cn2)cc1	1610505864	WWCABPRFTMJIOL-UHFFFAOYSA-N	314.301	1.170	50	20	DDGD	
Cc1coc(C=NNC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)c1	1550194071	QWSUMFYOWIWPPO-ZIAGYGMSSA-N	316.361	1.940	50	20	DDGD	
Cc1ccc(OCC(=O)NNc2ncccc2C(=O)O)cc1	1574378595	SKJKUZCXBYCEIL-UHFFFAOYSA-N	301.302	1.610	50	20	DDGD	
CN(N)C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1	1573877750	WCYKDCLSDDSXHV-QMMMGPOBSA-N	312.167	1.134	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN1)c1cc2c(s1)CCCCCC2	1580736525	WCSIDJAHYZOTAE-LLVKDONJSA-N	307.419	1.530	50	20	DDGD	
CC(=NNC(=O)CC(C)(C)C)c1cc(-c2nn[nH]n2)ccn1	1588776118	YYEDAKFQTMCHKZ-UHFFFAOYSA-N	301.354	1.538	50	20	DDGD	
O=C(c1cnoc1)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846387619	RRJAASJEGHVSKI-UHFFFAOYSA-N	318.160	1.295	50	20	DDGD	
C[C@@]1(C(=O)NCc2ccc(C(=O)O)o2)C[C@@H]1Br	1593756130	CVALCQDTYMPESU-GZMMTYOYSA-N	302.124	1.768	50	20	DDGD	
Cc1cnc(F)c(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1	1592295621	KHTDHIFQOJXTMT-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
CCc1cc(C(=O)O)ccc1NC(=O)NNC(=O)c1cc[nH]n1	1597460026	RMTSSGHXQHHBKT-UHFFFAOYSA-N	317.305	1.137	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(/C=C/C(=O)O)o2)n1	1599394138	CDZFVFJNGUKIFH-GQCTYLIASA-N	318.289	1.241	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NNc2ccccc2C(=O)O)C1	1594624328	OZPULOIUWBBOGP-SKDRFNHKSA-N	314.345	1.917	50	20	DDGD	
ClCCn1cc(/C=C/c2cc(-c3nn[nH]n3)ccn2)cn1	1592523600	VJSOYHHCWBYSIR-OWOJBTEDSA-N	301.741	1.867	50	20	DDGD	
COc1cccc(C(=O)NNc2ccc(C(=O)O)cn2)c1C	1599642458	NRMOQEKXJXKNKV-UHFFFAOYSA-N	301.302	1.854	50	20	DDGD	
O=C(O)c1coc(C=NNC(=O)c2cncn2-c2ccccc2)c1	1776026516	KVMJZXMMXOAMFH-UHFFFAOYSA-N	324.296	1.927	50	20	DDGD	
C[N+](C)(C)CC(=O)NN=Cc1sc(Cl)cc1C(=O)O	1776011755	LUIYJEIRUXYKNQ-UHFFFAOYSA-O	304.779	1.256	50	20	DDGD	
NC(=O)c1cccc(C=NNC(=O)c2ccc(C(=O)O)cc2)c1	1776100093	QLKHGKJITVFCCW-UHFFFAOYSA-N	311.297	1.248	50	20	DDGD	
Cn1ncc(C=NNC(=O)c2ccc(C(=O)O)cc2)c1Cl	1776100456	IPXWTXKIGOXSQV-UHFFFAOYSA-N	306.709	1.536	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cc(C#N)ccc1C(=O)O	1776024759	SWXWLJUJQWHOHZ-UHFFFAOYSA-N	316.361	1.438	50	20	DDGD	
CC(=NNC(=O)c1cc[nH]n1)c1cccc(O[C@H](C)C(=O)O)c1	1776092132	ZCFFVRUNPVIDEW-SNVBAGLBSA-N	316.317	1.416	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cccc(-n3ccnn3)c2)cc1	161087400	CQQKTNISALSGKA-UHFFFAOYSA-N	304.313	1.896	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1CCn2ccnc2C1	158288217	ULRFYHOHGWVAOR-SNVBAGLBSA-N	301.306	1.497	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)c1cocn1	151251935	JOECQFDYMDFWEK-UHFFFAOYSA-N	315.264	1.279	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccccc2OCC2CC2)[nH]n1	151154450	LWXXGPZMLTVYOR-UHFFFAOYSA-N	314.345	1.582	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C[C@H]2OCCc3ccccc32)[nH]n1	153046419	SDYXPGFUEXKOIU-CQSZACIVSA-N	314.345	1.183	50	20	DDGD	
COc1ccc(NNC(=O)c2ccnc(F)c2)c([N+](=O)[O-])c1	155202622	OKUBDSZDJWYALI-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2C[C@H]2c2ccccc2C)n1	155800447	RWUMZVZRCLJFTD-QWHCGFSZSA-N	313.361	1.976	50	20	DDGD	
O=C(/C=C\c1ccco1)NNC(=O)c1cc(Br)c[nH]1	208883190	HLAAYFWJUZCESW-ARJAWSKDSA-N	324.134	1.845	50	20	DDGD	
O=[N+]([O-])c1cccc(CNS(=O)(=O)CBr)c1	127428835	ZESQLBKOSFLCKC-UHFFFAOYSA-N	309.141	1.367	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(Br)c[nH]1	7378042	QEJDTPYMFCHFFQ-UHFFFAOYSA-N	303.185	1.072	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc(N2CCNC2=O)cc1	103198674	ROCYKJAORBNWMR-UHFFFAOYSA-N	318.377	1.413	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Cc2ccc(C)cc2)c1O	54144841	GBWBFQKPNJULCM-UHFFFAOYSA-N	314.341	1.713	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCCn1cccn1	114233850	FNBNUAVDZNHCOJ-UHFFFAOYSA-N	309.801	1.755	50	20	DDGD	
C[C@H]1CC[C@@H](CCC(=O)NNC(=O)Cc2ccc(F)cc2)O1	175052771	MCXBIRMMPYOHON-FZMZJTMJSA-N	308.353	1.863	50	20	DDGD	
CCC(CC)n1nccc1C(=O)NNC(=O)c1ccncc1	119671282	HWFTYFSOSOYPCQ-UHFFFAOYSA-N	301.350	1.714	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc3ccccc3n2)n1C	21767961	QJSUWRDKIZSNMK-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)Cc2ccc(C#N)cc2)n1	177664739	TWZLSTHLULKRLA-UHFFFAOYSA-N	324.388	1.880	50	20	DDGD	
CN(CC(=O)NNC(=O)Cc1ccc(F)cc1)c1ccccc1	64458101	SZSINPWDUARNDN-UHFFFAOYSA-N	315.348	1.652	50	20	DDGD	
COc1cccc(CO[C@H](C)C(=O)NNc2cnccn2)c1	114878172	OGASQOYHJATPRE-LLVKDONJSA-N	302.334	1.534	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc(F)c(Cl)c2)[nH]n1	118977796	PIXLRNRTMSZNRY-UHFFFAOYSA-N	311.704	1.977	50	20	DDGD	
CS[C@@H]1CCC[C@H](NC(=O)NNC(=O)Cc2ccncc2)C1	176375693	LFDDUCGATDUTLX-QWHCGFSZSA-N	322.434	1.629	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCN(C)C(C)C)cc(C#N)n1C	171983498	ISDCAMFPMFEUMB-OVCLIPMQSA-N	313.405	1.569	50	20	DDGD	
NC(=O)[C@@H](NNC(=O)CCCc1ccccc1)c1ccccc1	69164239	IHJIIXDZERYZIN-KRWDZBQOSA-N	311.385	1.857	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1ccc(F)cc1	67125320	OLWDKQWDRKXZEM-UHFFFAOYSA-N	311.313	1.111	50	20	DDGD	
CCCCNC(=O)NNC(=O)C1=NO[C@@H](c2ccccc2)C1	64882704	UGWTWDARINRKSW-CYBMUJFWSA-N	304.350	1.635	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNC(=O)c2cccn2C)cc1	124203024	NQFASTUJFJOKLN-LBPRGKRZSA-N	315.373	1.674	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NC[C@@H]1CC=CCC1	127493247	MFSXXYIYIQSAGQ-CQSZACIVSA-N	317.389	1.890	50	20	DDGD	
O=C(NCC1(c2cccc(F)c2)CC1)NNc1ncccn1	120955747	KXWQTSDKKODGCQ-UHFFFAOYSA-N	301.325	1.974	50	20	DDGD	
CS(=O)(=O)CCCC(=O)NNc1ccc(OC(F)F)cc1	122484234	IDFOKFWRUJQGAN-UHFFFAOYSA-N	322.333	1.556	50	20	DDGD	
CC[C@@H](C)[C@@H](C)C(=O)NNC(=O)Cc1nc2ccccc2n1C	183343000	LPIGDHUUDFXYDA-VXGBXAGGSA-N	316.405	1.945	50	20	DDGD	
CN1CCC(C(=O)NNC(=O)c2cccc3ccccc23)CC1	73942688	XDOXTFIPVGHBTJ-UHFFFAOYSA-N	311.385	1.943	50	20	DDGD	
CC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)Cc1ccccc1F	183287781	LCJGOUYZGWUZEC-AWEZNQCLSA-N	323.368	1.066	50	20	DDGD	
Cc1cnccc1CNC(=O)NNC(=O)c1ccccc1O	188287355	GKFONOIDRVSEBL-UHFFFAOYSA-N	300.318	1.240	50	20	DDGD	
C[C@@H]1CN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C[C@@H](C(N)=O)O1	122870801	QZUFFRFZGGSIHA-UVCUVCGCSA-N	316.317	1.034	50	20	DDGD	
C[C@H](C(=O)NNc1nccn(C)c1=O)c1c(F)cccc1F	129105519	NTXHOXHIZXEXQP-QMMMGPOBSA-N	308.288	1.305	50	20	DDGD	
Cn1c(NNC(=O)c2ccccc2F)nc2ccccc2c1=O	70919940	SNDOHBMIXGFYOY-UHFFFAOYSA-N	312.304	1.830	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1c[nH]nc1C1CC1	186971028	KVRMXZIGSNIKCM-UHFFFAOYSA-N	302.309	1.430	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1c[nH]c(C)cc1=O)c1ccccc1	73552720	UNPDFPBBEBALFH-CYBMUJFWSA-N	313.357	1.638	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc(Br)s1	45035538	YOLMLDFFBFYGFD-UHFFFAOYSA-N	318.196	1.865	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cccnc2)cc1F	45575326	DYLJLGNTZKOKKP-UHFFFAOYSA-N	317.320	1.623	50	20	DDGD	
CCOCCCC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	47056147	OYXWQKOBEDDKHA-LLVKDONJSA-N	312.341	1.557	50	20	DDGD	
O=C(NNc1nc2ccccc2c(=O)[nH]1)[C@@H]1COc2ccccc21	137158082	JZEBTCZFWDJKEP-GFCCVEGCSA-N	322.324	1.542	50	20	DDGD	
Cc1nc(S)sc1CC(=O)NNC(=O)c1ccccn1	48389786	LZFQGOZZBPGSKN-UHFFFAOYSA-N	308.388	1.139	50	20	DDGD	
CCC(CC)n1nccc1C(=O)NNC(=O)c1cc(C)n[nH]1	131985706	MLIGFPUXIQSVQP-UHFFFAOYSA-N	304.354	1.351	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@@H]1CCCc2ccccc21	81025871	YBKSUNGPXPHXSU-MRXNPFEDSA-N	309.369	1.892	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2nc3ccccn3n2)C1	191929173	RNYBQPOADYKYOC-GHMZBOCLSA-N	317.349	1.152	50	20	DDGD	
Cn1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(=O)n(C)c1=O	192789378	GLAKUVTYBXTBNY-JXMROGBWSA-N	307.313	1.024	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc(Cl)cn1	94120507	GMCXPIKILHGVDY-UHFFFAOYSA-N	304.828	1.207	50	20	DDGD	
C[C@@H](C#N)Oc1ccc(/C=C(\C#N)S(=O)(=O)NC2CC2)cc1	191481975	QIPZHCJOTBPWRN-UXYFDLPDSA-N	317.370	1.924	50	20	DDGD	
COC(=O)C[C@@H]1CSCCN1C[C@H](C)CBr	248743442	RWBXIKWCGOGRBT-NXEZZACHSA-N	310.257	1.998	50	20	DDGD	
CSCC[C@H](NC(N)=O)C(=O)NNc1cccc(F)c1	269580062	JAUPAAYMWXXMMA-JTQLQIEISA-N	300.359	1.059	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)COc2ccc(C)cc2)O1	268253915	CNIIMPANEGTKQC-GXTWGEPZSA-N	306.362	1.479	50	20	DDGD	
CNC(=O)[C@H](C)CN(C)/C(=C/C#N)c1cccc([N+](=O)[O-])c1	267365973	JFZBTQKPDLORFW-LLUUXILJSA-N	302.334	1.773	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=S)Nc2ccccc2OC)O1	268259917	RBDZSWNFPGJJGG-GWCFXTLKSA-N	323.418	1.970	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)CC[C@H]1CCOC1	267573420	OMTLYLJVUQDDSQ-LBPRGKRZSA-N	322.361	1.038	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc2nc(O)ccc2c1	267504942	IMGFNEHKBNIUQX-VIFPVBQESA-N	323.374	1.296	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	265709932	ICMLSZKVSMHONQ-VIFPVBQESA-N	321.308	1.605	50	20	DDGD	
C[C@H]1CCCCN1CCCCNC(=O)NNc1cccnn1	265479546	PJVWEXQVLWIQST-ZDUSSCGKSA-N	306.414	1.757	50	20	DDGD	
COC[C@@H](NC(=O)NNc1cccc(C(=O)OC)c1)C1CC1	272569251	HUNQXIMSSOPTBB-CYBMUJFWSA-N	307.350	1.524	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NNC(=O)c2ccccc2C)C1(C)C	271759084	DIMPUXSFOJBTOY-IACUBPJLSA-N	319.405	1.999	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1	278483541	GCNHUOOMZIXXGY-LLVKDONJSA-N	305.382	1.416	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccccn2)c(C(C)(C)C)n1	271122795	KZSVKYHJVDJJGF-UHFFFAOYSA-N	301.350	1.187	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1C(=O)NNC(=O)COc1ccccc1F	278880569	WFYQXZZRRORRMZ-IAQYHMDHSA-N	322.336	1.333	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	278540719	FXEACAUYBURZRH-BMIGLBTASA-N	310.325	1.068	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)c2cccc(OC)c2O)cn1	272943318	XHMUTRANYQSUHL-UHFFFAOYSA-N	318.333	1.082	50	20	DDGD	
Cc1ccc([C@@H](O)CNS(=O)(=O)CBr)cc1	272778410	GXEIKCFDVRJJSV-JTQLQIEISA-N	308.197	1.300	50	20	DDGD	
CSC[C@H](C)C(=O)NNC(=O)CSc1ccccc1O	270679413	HKZWBSSOHNDZKR-VIFPVBQESA-N	314.432	1.631	50	20	DDGD	
O=C(NNc1ncccn1)Nc1ccc(O[C@@H]2CCOC2)cc1	274839963	OGQIZZRIBPWEDR-CYBMUJFWSA-N	315.333	1.793	50	20	DDGD	
CSc1ccc(C)c(NC(=O)C(=O)NNC(=O)C2CC2)c1	274102794	WRQWFCGXUQQTFB-UHFFFAOYSA-N	307.375	1.213	50	20	DDGD	
C[C@H]1CCN(CC(=O)NNC(=O)c2ccccc2)CC12CCC2	271310816	HTWGUNORTFLQCP-AWEZNQCLSA-N	315.417	1.960	50	20	DDGD	
CSSCCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1	375174890	PRCYCRKFKROXHC-GHMZBOCLSA-N	305.469	1.160	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)c1ccnc2c1nnn2C	283745519	HTPRQZLDTYOCGI-UHFFFAOYSA-N	310.361	1.991	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1cccc(-c2cc[nH]n2)c1	297047117	CAZKIMRAQGBHAV-ZDUSSCGKSA-N	315.333	1.408	50	20	DDGD	
NC(=O)c1csc(C(=O)NNc2nccnc2C2CCC2)c1	805465337	IKMXRMLAPQPDFS-UHFFFAOYSA-N	317.374	1.661	50	20	DDGD	
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NNc1cccc(Cl)n1	293181520	YKYPLADPSHLHGE-MWLCHTKSSA-N	309.801	1.844	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H]1CCCN(C(N)=O)C1	805376647	FAYJPYXCHCZFKR-SNVBAGLBSA-N	321.337	1.137	50	20	DDGD	
CC[C@H](C)CONC(=O)NNC(=O)COc1cc(C)cc(C)c1	291707991	GBYYTKNQOAYSCL-NSHDSACASA-N	323.393	1.990	50	20	DDGD	
O=C(NNc1nnc[nH]1)C1(c2cccc(Br)c2)CC1	293989665	RYPSBGWHHZTBJS-UHFFFAOYSA-N	322.166	1.742	50	20	DDGD	
COc1ccc(C2(C(=O)NNC(C)=O)CCCC2)cc1OC	294160978	BITAHLVASHCORZ-UHFFFAOYSA-N	306.362	1.683	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CN2[C@H](C)CC[C@H]2C)cc1	802061271	TZBIRDNTTFJVIM-VXGBXAGGSA-N	320.393	1.721	50	20	DDGD	
COc1ccc(NNC(=O)NC2C[C@@H]3CC[C@H](C2)N3C)nc1	297099800	QEEQZJAQNWFMGD-YOGCLGLASA-N	305.382	1.342	50	20	DDGD	
Cn1c(=NNC(=O)c2cc3n(n2)CCO3)sc2ccccc21	809934687	BBIXDQGCDRXQOV-UHFFFAOYSA-N	315.358	1.074	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)C(C)(C)C(N)=O)c(Cl)c1	802047575	CWBGLHVTVFEYDP-UHFFFAOYSA-N	312.757	1.313	50	20	DDGD	
C[C@@H](CC(=O)NNc1ncncc1F)NC(=O)C1CCCCC1	294092490	RJJHBMWACZLEII-JTQLQIEISA-N	323.372	1.534	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(C(F)(F)F)cn1	299235935	NTSRTMQKLVZFAN-UHFFFAOYSA-N	320.271	1.081	50	20	DDGD	
Cn1nncc1NNC(=O)[C@H]1COc2ccc(Cl)cc2C1	816771906	FSHGAIHIGXLBPT-SECBINFHSA-N	307.741	1.163	50	20	DDGD	
CC(Cc1ccc(F)cc1)=NNC(=O)C(=O)Nc1ccccn1	814869229	GFLULMYKTXPODU-UHFFFAOYSA-N	314.320	1.894	50	20	DDGD	
Nc1ncc2c(n1)CCCC2=NNC(=O)NCc1ccco1	814817772	VIWOOHHHNIHRBA-UHFFFAOYSA-N	300.322	1.192	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)CNC(=O)CC1CCCC1	816337904	MQWCHHTVVLEWPS-UHFFFAOYSA-N	323.368	1.974	50	20	DDGD	
Cn1nncc1NNC(=O)c1cc(F)ccc1Br	816769683	RGEVIXQRWKNZED-UHFFFAOYSA-N	314.118	1.474	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1cnc2c(F)ccc(F)c2c1	814796844	SBJMLSLCHZWARN-UHFFFAOYSA-N	316.267	1.916	50	20	DDGD	
Cc1nccc(CCC(=O)NNc2cnc3ccccc3n2)n1	816114770	RKIJJBBVCCLWMR-UHFFFAOYSA-N	308.345	1.804	50	20	DDGD	
CCC(=NNC(=O)N=c1cc[nH]cc1)c1c(C)nn(C)c1C	815001309	DEZOTZFRKOKVTB-UHFFFAOYSA-N	300.366	1.790	50	20	DDGD	
Cc1ncc2n1CC[C@H](C(=O)NNC(=O)c1cccc(C#N)c1)C2	810347065	PGXCRGFFUYHTGW-AWEZNQCLSA-N	323.356	1.087	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)CCOc1ccccc1)C1CCC1	813430543	REPYNEIOIBTEMM-MRXNPFEDSA-N	306.362	1.154	50	20	DDGD	
CCN(C)[C@H](C(=O)NNc1ncncc1F)c1ccccc1	817082802	MBWKZXZQZDGHIF-ZDUSSCGKSA-N	303.341	1.752	50	20	DDGD	
CC(C)(CNC(=O)NNc1cccc(Cl)n1)S(C)(=O)=O	814309162	AJOHQWSWABLEQC-UHFFFAOYSA-N	320.802	1.184	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@](C)(O)C1CCC1	813365084	DFMDCLVPVHPLDB-MGPLVRAMSA-N	324.352	1.292	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1c(Cl)cncc1Cl	815475460	MTDUGSGXECCUGV-UHFFFAOYSA-N	314.132	1.115	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2cccnc2)cc1OC	728852474	BUDWFZXLIVXHQJ-UHFFFAOYSA-N	315.329	1.103	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=O)c1cccc(C#N)c1	728977421	LXUMBEWNGTYZHT-JHJVBQTASA-N	314.389	1.581	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)c2cocn2)cc1OC	729298810	FEDNUKZDYIVCFF-UHFFFAOYSA-N	305.290	1.157	50	20	DDGD	
COCCCNC(=O)NNC(=O)C[C@@]1(C)CC1(Cl)Cl	822786462	QWNDFAIUVRGROY-JTQLQIEISA-N	312.197	1.327	50	20	DDGD	
COC(=O)N(C)NC(=O)CCC(=O)Nc1c(F)cccc1F	822838056	NIQBHUPLMCVJRS-UHFFFAOYSA-N	315.276	1.413	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC2(CCC2)c2c(F)cccc21	828268615	YHSCWRLPDLLYGV-UHFFFAOYSA-N	319.380	1.871	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cccc(F)c1F	826448904	RJGNCIPCMBYYAL-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)CCc1ccccc1F	827297614	FJNNPIRZFFAXDD-AAEUAGOBSA-N	323.368	1.466	50	20	DDGD	
Cc1ccccc1[C@H]1CCN(CC(=O)NNC(=O)C(C)C)C1	827630786	XDJWOPKKYUXWCK-AWEZNQCLSA-N	303.406	1.588	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc(N2CCOC2=O)c1	495190961	OYAKWIXBWKLABT-SNVBAGLBSA-N	320.349	1.842	50	20	DDGD	
C[C@H](OCCc1ccccc1)C(=O)NNC(=O)C1CCCC1	822474457	MOWRDVAYRJUBHU-ZDUSSCGKSA-N	304.390	1.972	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@@H](C)C(C)(C)c1ccccc1	828675731	WZWWMNPTDUBLJA-ZDUSSCGKSA-N	305.422	1.746	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1nn(C)c2c1CCCC2	823801277	AANKGZGMBYDIJT-UHFFFAOYSA-N	312.373	1.682	50	20	DDGD	
Cc1cccc(-c2nc(C)c(C(=O)NN(C)[C@@H](C)CO)[nH]2)c1	823939325	IZAWJQQNGQSIIX-NSHDSACASA-N	302.378	1.651	50	20	DDGD	
CC(C)=CC(=O)NCc1ccc(C(=O)NN(C)[C@H](C)CO)cc1	823951151	IJPRGFXNRXOQSD-CYBMUJFWSA-N	319.405	1.226	50	20	DDGD	
CCCN(NC(=O)CCCC(=O)NCC)C(=O)OC(C)(C)C	495630295	BQBBRNIDNALLPQ-UHFFFAOYSA-N	315.414	1.971	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(Br)ncc1C	495536691	BTRPAVMSUUCERC-UHFFFAOYSA-N	303.116	1.545	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H](C(=O)OC(C)(C)C)C1CCCC1	823799993	XMNJBIURHNYQHJ-NSHDSACASA-N	313.398	1.485	50	20	DDGD	
CSCC1(CCNC(=O)NNC(=O)CC(F)(F)F)CC1	820999038	JLSKKEUHONYTHD-UHFFFAOYSA-N	313.345	1.803	50	20	DDGD	
CC[C@@H](O)CCCNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	490727059	XMDCXZIKYLLZQG-FCONWMNKSA-N	314.389	1.779	50	20	DDGD	
CC(C)(CNC(=O)c1cc(B(O)O)ccc1F)c1cccs1	584947215	IYTQVBSGWIHDAG-UHFFFAOYSA-N	321.182	1.275	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C	495824061	SCDRGTDXTSNFFK-SNVBAGLBSA-N	315.370	1.505	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1c[nH]c2cc(F)c(F)cc2c1=O	820758054	PUINWZSSRREODZ-UHFFFAOYSA-N	321.283	1.367	50	20	DDGD	
C=C(CI)n1cc(CN2CCCC2)nn1	900640844	DAAHTQBEBFOSSO-UHFFFAOYSA-N	318.162	1.780	50	20	DDGD	
O=C(/C=C/c1ccccc1)NN=c1nc(-c2cccnc2)[nH]o1	491724423	AWTDHOQPNNBNIG-CMDGGOBGSA-N	307.313	1.710	50	20	DDGD	
COC(=O)NCC(=O)NNc1ccc([N+](=O)[O-])cc1Cl	493940757	GAGUSJCYVBENNC-UHFFFAOYSA-N	302.674	1.047	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C\c2cn(C)nc2C(F)F)n1	491159126	HUMDDCMTMRXRDT-YVMONPNESA-N	306.276	1.637	50	20	DDGD	
COc1ccc(C)cc1[C@H](C)NCC(=O)NNC(=O)C(C)C	828629554	QMTPJYQPMXBTMW-LBPRGKRZSA-N	307.394	1.458	50	20	DDGD	
Cn1nc(C(=O)NNc2cccc([N+](=O)[O-])c2)c2c1CCCC2	827171266	ZTKHJRSMIJBZJW-UHFFFAOYSA-N	315.333	1.964	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)N[C@H]1COc2cc(F)ccc2C1	822512606	GEEXZCWSQYVZHV-GFCCVEGCSA-N	323.368	1.896	50	20	DDGD	
C[C@@]1(C(=O)NCCCOC2CCOCC2)C[C@@H]1Br	906791682	IBBRENSZCXAZOO-WCQYABFASA-N	320.227	1.862	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1ccc(C(=O)O)[nH]1	827454885	HXSZYWPGUMMKTO-LLVKDONJSA-N	306.366	1.285	50	20	DDGD	
O=C(NCc1n[nH]cc1Br)NNc1ccccn1	738477429	MRRNAFSOQPJTPW-UHFFFAOYSA-N	311.143	1.394	50	20	DDGD	
Cn1c(Cl)cnc1CNC(=O)[C@@]1(C)C[C@H]1Br	906510297	DQXADZHGUQLDSO-LDWIPMOCSA-N	306.591	1.863	50	20	DDGD	
CCN(C)Cc1cccc(CNCc2cccc(B(O)O)c2)c1	585022579	RNXJMDBLDKSOFZ-UHFFFAOYSA-N	312.222	1.108	50	20	DDGD	
O=C(NNc1cccc(Cl)c1Cl)C1(O)CCOCC1	838351338	YNBHSSHFFYQXKL-UHFFFAOYSA-N	305.161	1.978	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H](C)Cc1cnn(C)c1	837583828	LDKUHWYIQZDMDY-NSHDSACASA-N	302.382	1.655	50	20	DDGD	
CO[C@@]1(C)C[C@@H](NC(=O)NNC(=O)N=c2cc[nH]cc2)C1(C)C	836335974	SRSYPBAKSSBSMK-ABAIWWIYSA-N	321.381	1.043	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H]2CC23CCSCC3)c(F)c1	585048216	LEOJKRYQXOPRHJ-LBPRGKRZSA-N	309.215	1.128	50	20	DDGD	
CC1CCC(N(C(=O)c2ccc(B(O)O)cc2)C2CC2)CC1	584940819	XSUZBTMAKQPCDW-UHFFFAOYSA-N	301.195	1.550	50	20	DDGD	
CC(C)[C@@H]1CCCN1CC(=O)NNC(=O)c1ccc(C#N)cc1	839472713	SSVDXBFXUVUNGY-HNNXBMFYSA-N	314.389	1.440	50	20	DDGD	
O=C(CCc1nnc(-c2ccsc2)o1)NNC(=O)C1CCC1	732140837	DNCZLAWQPCPVDZ-UHFFFAOYSA-N	320.374	1.678	50	20	DDGD	
CC[C@H](C(=O)NNc1cnccn1)N(C)C(=O)OC(C)(C)C	832395539	MXLICXUADHOFNG-SNVBAGLBSA-N	309.370	1.565	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)Cc1nnn(C(C)(C)C)n1	834579960	BSTSGHQEKKJCMM-UHFFFAOYSA-N	318.385	1.027	50	20	DDGD	
COc1c(C)ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1C	831217533	ADFMKJODALLGTP-VXGBXAGGSA-N	321.377	1.890	50	20	DDGD	
CC(C)(C)OC(=O)c1cccc(C=NNC(=O)NCC(=O)O)c1	833444513	WUPANALREPYSCU-UHFFFAOYSA-N	321.333	1.360	50	20	DDGD	
C[C@@H](NCc1cccc(B(O)O)c1)[C@H]1CCCN(C2CCC2)C1	585034297	HQLGVVZWDDKYCZ-ZBFHGGJFSA-N	316.254	1.109	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=Cc2ccc(O)c(O)c2)cc1	916300031	IWZIGNYRSYNVTQ-UHFFFAOYSA-N	311.297	1.499	50	20	DDGD	
O=C(NNc1cnccn1)[C@@H]1CCN(c2ccc(F)cc2)C1=O	734242689	UDUOQIHTLDGBMQ-LBPRGKRZSA-N	315.308	1.112	50	20	DDGD	
COCCN(C)NC(=O)c1c(C)cccc1Br	837628410	WTYDXIKCPHTXGT-UHFFFAOYSA-N	301.184	1.981	50	20	DDGD	
CS[C@@H](CNC(=O)NNC(=O)[C@@H]1CCCCO1)C(C)(C)C	836395732	WQFMJHXAVLBRLP-QWRGUYRKSA-N	317.455	1.664	50	20	DDGD	
Cc1nc(CC(=O)NN=C2C(=O)Nc3cc(O)ccc32)cs1	915947304	OPFQFOIODBIQJD-UHFFFAOYSA-N	316.342	1.172	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cccc(OC[C@@H]2CCCO2)c1	910174579	GCXADTYXUXKGTQ-DOMZBBRYSA-N	308.378	1.202	50	20	DDGD	
COC1([C@H](C)NCC(=O)NNC(=O)c2cccc(C)c2)CCC1	839661448	VVOZLIUJAFCULZ-ZDUSSCGKSA-N	319.405	1.303	50	20	DDGD	
O=CN1CCC[C@@H]1C(=O)NNc1cc(C(F)(F)F)ccc1F	831120283	VPRFEIYMNQDSPL-LLVKDONJSA-N	319.258	1.908	50	20	DDGD	
C[C@H]1CC[C@@H](CNC(=O)NNC(=O)C(C)(C)c2ccccc2)O1	838740473	AGEPPXISGJRCMF-JSGCOSHPSA-N	319.405	1.862	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCCOC[C@H]1CCOC1	740919968	CDKXWOYESFMUBX-GFCCVEGCSA-N	315.414	1.196	50	20	DDGD	
C[C@H](C(=O)NNC(=O)NCCc1cccs1)C(F)(F)F	742583327	JBWAGIJBLWZACR-SSDOTTSWSA-N	309.313	1.819	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cc(-c2ccccn2)no1	746121820	MHRRAWOLZYQJFK-UHFFFAOYSA-N	300.318	1.688	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N(C)Cc1nccs1	747491174	PWKDFCLDXHOSAC-UHFFFAOYSA-N	304.375	1.938	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2cc3c(s2)CCC3)CCN1	841989745	WTPPXOBJALUSAW-GXSJLCMTSA-N	322.434	1.321	50	20	DDGD	
COc1ccc2c(c1)N(CC(=O)NNC(=O)C(C)(C)C)CCO2	744419153	NSCOLSDMNNJISU-UHFFFAOYSA-N	321.377	1.088	50	20	DDGD	
CC(C)(C)c1cc(C=NNC(=O)C(N)=O)cc(C(C)(C)C)c1O	916274628	QDTZCXZISWLEBX-UHFFFAOYSA-N	319.405	1.923	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)OCC(=O)NCC(C)C)c1	849203747	ILOBLZZUJDYHFM-AUWJEWJLSA-N	316.357	1.918	50	20	DDGD	
CC(C)(C)N1CCC(NC(=O)NNC(=O)C2CCCC2)CC1	918094619	LCYDOTZBGFHUKA-UHFFFAOYSA-N	310.442	1.770	50	20	DDGD	
COCCNC(=O)NNc1cc(Br)ccc1F	913829797	OIOPQDQHRFLYOX-UHFFFAOYSA-N	306.135	1.861	50	20	DDGD	
CCCNCCNC(=O)NNC(=O)c1cccc2ccccc12	841964300	CAEZGTQAIWYQQP-UHFFFAOYSA-N	314.389	1.783	50	20	DDGD	
O=C(NNc1cnccn1)c1cc(N2CCOC2=O)ccc1F	743412760	QOCBLIBBUOACDC-UHFFFAOYSA-N	317.280	1.329	50	20	DDGD	
Cn1ccnc(NNC(=O)CCc2cccc(F)c2F)c1=O	747938743	YSXULZHLJXDNGL-UHFFFAOYSA-N	308.288	1.134	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1N	746288163	GONIUYRKGHRSTB-UHFFFAOYSA-N	314.301	1.560	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@H](C[C@@H]1CCCO1)C(F)(F)F	845299790	NULLLKRPDWXSSO-UWVGGRQHSA-N	323.315	1.474	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC1CCC(N)CC1)c1ccccc1	841945787	XTMLYDCHWRKERH-YMAMQOFZSA-N	318.421	1.781	50	20	DDGD	
CCO[C@@H](C(=O)NNc1cc(O)nc2ncccc12)C1CC1	913989162	WKPMYUBSTQWYGF-CYBMUJFWSA-N	302.334	1.594	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNc1ncnc2[nH]cnc12	743471547	NGKLPBBTUFDWFV-MRVPVSSYSA-N	316.296	1.403	50	20	DDGD	
COc1ncccc1NC(=O)NNC(=O)c1ccccc1C	918542682	DXAQYHARNRMQSF-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
CC(C)(C)OC(=O)CCCNC(=O)NNc1ccc(F)cn1	746011266	RALMYEJFAQGGJW-UHFFFAOYSA-N	312.345	1.969	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNC(=O)CC(F)(F)F)ccc1C	918366688	DLYORPVCXRUWSH-UHFFFAOYSA-N	317.267	1.667	50	20	DDGD	
COc1cccc(C(=O)NN(C)C[C@@H](C)O)c1OC(F)F	910175463	OYBVEEUBDLAMQG-MRVPVSSYSA-N	304.293	1.254	50	20	DDGD	
CC(C)C(=O)c1ccc(S(=O)(=O)NNC(=O)C2CCC2)cc1	743259105	QXRWQOULTJKBHF-UHFFFAOYSA-N	324.402	1.635	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NCCCC(=O)O)ccc1F	840992589	ODJTYQVFFYNBGG-UHFFFAOYSA-N	313.285	1.103	50	20	DDGD	
C[C@H](Cc1ccccc1F)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843650560	DPXZACJMKCAJKG-WZRBSPASSA-N	308.353	1.577	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1ccc2n[nH]cc2c1	746601105	FVPXZFYIICHGOA-UHFFFAOYSA-N	321.300	1.765	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@@H](NC(N)=O)C(C)(C)C	846641898	UALYTHVMRDZCPV-LLVKDONJSA-N	312.345	1.360	50	20	DDGD	
COc1cccc(F)c1C(C)=NNC(=O)CN1CCCC1=O	741812221	NYYYUCHVFUPAQJ-UHFFFAOYSA-N	307.325	1.297	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CCc3nnnn3CC2)ccc1Cl	928338371	GONWYQOVLGFBCU-SNVBAGLBSA-N	320.784	1.731	50	20	DDGD	
Cc1cc(C)c2c(c1)C(=NNC(=O)C(=O)NC1CC1)CCO2	920373283	WLVQJQNCOUHMLD-UHFFFAOYSA-N	301.346	1.185	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1c(O)cccc1Cl	755759587	FMKLLUMVSQFYDZ-SECBINFHSA-N	300.742	1.547	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])c1N	757851499	NMUPIPFBLJQTRI-UHFFFAOYSA-N	310.701	1.321	50	20	DDGD	
COC(=O)N1CCC[C@H](NC(=O)NNc2cc(F)ccc2C)C1	853640903	CJBWQAMEMFTPFP-LBPRGKRZSA-N	324.356	1.991	50	20	DDGD	
N#CC[C@H]1CCCN(C(=O)NNC(=O)c2cccc(F)n2)C1	852713686	WZHVJWVUFYFCEB-SNVBAGLBSA-N	305.313	1.201	50	20	DDGD	
COc1cc(C)cnc1C(=O)NNC(=O)CNc1ccccc1	754173683	IQFTYQZBEXTWFS-UHFFFAOYSA-N	314.345	1.272	50	20	DDGD	
COC[C@H](OC)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	854247996	LQNJFMRJOCIQHM-JTQLQIEISA-N	321.160	1.416	50	20	DDGD	
Cn1cc(C(=O)NNC(=S)NCC2CCC2)c(C2CC2)n1	855090036	NUJRROSIRVSZBT-UHFFFAOYSA-N	307.423	1.207	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC(F)(F)C[C@@H]1C	859837193	BMDPKCTXODJWLS-WDEREUQCSA-N	305.369	1.688	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cn1cc(C2CC2)cn1)C1CC1	855095412	NLQORAMJLPSVIO-SECBINFHSA-N	307.423	1.054	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@H](C)CN2CCCC2)c1	858277234	CCWMKGZFYNXQFZ-LBPRGKRZSA-N	324.450	1.732	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](C)CN2CCCC2=O)cc1F	853459847	AASBAJRYQKBHGZ-LLVKDONJSA-N	308.357	1.771	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](NC(=O)NNc2ncc(Cl)cn2)CCO1	856882414	TXGBCXYYXNIZPH-QWRGUYRKSA-N	313.789	1.960	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(-n2nc(C)cc2C)cc1	854929919	XXVLIAGFIGAWCH-UHFFFAOYSA-N	317.418	1.570	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)NCC3CC3)n[nH]2)o1	920858957	CYQFCXACNWPHPK-UHFFFAOYSA-N	303.322	1.332	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2ncccc2C(F)(F)F)CCN1	754468586	UNGCKHGFISFXLA-ZETCQYMHSA-N	302.256	1.070	50	20	DDGD	
C#CCNC(=S)NNC(=O)COc1ccc(C(C)(C)C)cc1	758172989	QSGJXFDATWKWAQ-UHFFFAOYSA-N	319.430	1.491	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)Cn1cc(C2CC2)cn1	856773102	QAAYFABXQNIPRF-UHFFFAOYSA-N	313.361	1.020	50	20	DDGD	
COc1ccccc1C(C)=NNC(=O)CNC(=O)c1ccco1	750938829	QWONTVMJAKMLBB-UHFFFAOYSA-N	315.329	1.558	50	20	DDGD	
CC(C)(C(=O)NNC(=S)NCC1CCC1)c1ccccn1	855089658	AEKBMKBXJJAZAQ-UHFFFAOYSA-N	306.435	1.655	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1ccc([N+](=O)[O-])cc1F	758335997	AAGAHQKNKFQBHG-UHFFFAOYSA-N	324.190	1.839	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC2CCOCC2)c1C	853583691	VRXMBTOEEKLMHY-UHFFFAOYSA-N	321.377	1.834	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C[C@@H]1CCc2ccccc21	755772984	AHIPXGJEDZUVAX-AWEZNQCLSA-N	322.368	1.643	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	755404524	NIHAYFWRUKPHJW-UHFFFAOYSA-N	310.350	1.137	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@H]2CCCc3nn(C)cc32)cn1	857935186	BHFWRDJBMKNCNG-CYIWUNGXSA-N	310.361	1.254	50	20	DDGD	
O=C(NNC(=O)c1cc[nH]n1)NC1(C(F)(F)F)CCCCC1	933422284	XIHQGQMSNZKEJY-UHFFFAOYSA-N	319.287	1.619	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)n1	862524482	LTQXVYDRKYWFLA-YGRLFVJLSA-N	306.391	1.287	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)Nc2ccccc2C)c(C)n1	861514338	AVWZAKMTUPRTJI-UHFFFAOYSA-N	301.350	1.986	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CCCNC(=O)C2CC2)c1	862475633	RBFOWBCYUISXEU-UHFFFAOYSA-N	309.391	1.124	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)cc[nH]1	862511419	OTABHGHKFHHQJG-QGZVFWFLSA-N	321.384	1.796	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1cnc(C2CC2)o1	863115186	GBWJSKLYATVWKE-UHFFFAOYSA-N	301.302	1.787	50	20	DDGD	
O=C(Cc1ccc(O)cc1)NNc1nc(-c2cccnc2)no1	760122761	LGJKJGSEZONSEM-UHFFFAOYSA-N	311.301	1.523	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2cc(F)ccc2OC(F)F)N1	863151238	IYMGFZVPRAGHQF-SECBINFHSA-N	315.251	1.156	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(Cl)c(O)c(OCC)c1	762585209	VXSPDIKKNMKYQI-UHFFFAOYSA-N	301.730	1.408	50	20	DDGD	
CCC[C@H](CC1CCCCC1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1	862454674	IRJFQENMPJTXGI-KGLIPLIRSA-N	323.437	1.799	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCCC[C@@H]1C(N)=O	767029458	JLPUFDKWWOWXPY-RKDXNWHRSA-N	305.216	1.662	50	20	DDGD	
CCn1nc(C=NNC(=O)C(=O)N2CCCC2)c2ccccc21	769779295	BUHPFLATEUTJRW-UHFFFAOYSA-N	313.361	1.129	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CCOC2(CCC2)C1	765641733	CRTWBFUCWSJLLQ-UHFFFAOYSA-N	303.362	1.604	50	20	DDGD	
Cc1nc2ccc(NC(=O)C(=O)NNC(=O)CC3CC3)cc2o1	764142853	CSQKMTCZGKPQFN-UHFFFAOYSA-N	316.317	1.022	50	20	DDGD	
C[C@H](C(=O)NNCC(F)(F)C(F)(F)F)N1CCSCC1	863097964	SNVPINQTIXBFMU-SSDOTTSWSA-N	321.315	1.242	50	20	DDGD	
CCC(CC)[C@H](C)C(=O)NNC(=O)CNC(=O)c1cccnc1	761489588	ZIWMJHPUGSMYND-NSHDSACASA-N	320.393	1.031	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)NC/C=C\C1CC1	1117791979	SRCIDXHIJJLKSZ-PLNGDYQASA-N	309.391	1.682	50	20	DDGD	
COc1nccnc1NNC(=O)C[C@@H]1OC(=O)c2ccccc21	764461217	VIDIZBNPTOZTDI-NSHDSACASA-N	314.301	1.230	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@H]1CCN1C1CCCC1	863204638	DXYXSBQKOKTECU-CYBMUJFWSA-N	310.467	1.299	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=C[C@H]1C[C@H]2CC[C@H]1C2	762418508	QVUJHCUWXARHHZ-LPEHRKFASA-N	306.391	1.552	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)SCC(=O)OC(C)(C)C	769846466	PGBWWLUZQNOYJP-SNVBAGLBSA-N	318.439	1.643	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)Cc2ccccc21	873051835	IBVLSNXSIBEIDA-JMSVASOKSA-N	317.389	1.772	50	20	DDGD	
CC(C)(N)c1nocc1C(=O)NC[C@@]1(C)C[C@H]1Br	1118754409	KJOUIXOVTVIMNS-PRHODGIISA-N	316.199	1.772	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NNc2ccn(C)n2)C1	1116853039	YJWCFVGZVGWAEG-RYUDHWBXSA-N	307.398	1.148	50	20	DDGD	
COCC1(C(=O)NNC(=O)CNc2ccc(C)cc2C)CC1	779162784	QAFHGNGFRKMBJI-UHFFFAOYSA-N	305.378	1.289	50	20	DDGD	
CC[C@@](O)(CC(=O)NNC(=S)NC(C)C)c1ccccc1	1118004132	OWNVFJCJPHCECO-OAHLLOKOSA-N	309.435	1.578	50	20	DDGD	
C[C@@H](NCC(=O)NNC(=O)C(C)(C)C)c1cccc([N+](=O)[O-])c1	775185594	DCUHLVIRVUVELW-SNVBAGLBSA-N	322.365	1.439	50	20	DDGD	
CCOCCC1(C(=O)NNc2ccnc(N(C)C)n2)CCC1	771024200	ZFFSOBVRZNXTNL-UHFFFAOYSA-N	307.398	1.583	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNC(=O)c1ccccc1F	775757534	HZEVDALJLFUEHF-UHFFFAOYSA-N	310.325	1.566	50	20	DDGD	
COc1cccc(NNC(=O)NCc2cccc3c2OCO3)n1	779977128	KVPZFERIFBRVKD-UHFFFAOYSA-N	316.317	1.645	50	20	DDGD	
C[C@@]1(CNC(=O)N[C@H]2C[C@H](C(=O)O)C2)C[C@H]1Br	874408028	MAQIIRAXVRVOTQ-NKIIXMILSA-N	305.172	1.322	50	20	DDGD	
Cc1cc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)ccc1O	772239857	GPFNMBHKHOBVRN-NSHDSACASA-N	322.361	1.439	50	20	DDGD	
CN=[S@@](C)(=O)c1cccc(NC(=O)NNC(=O)C2CCC2)c1	879836196	HFTREZFTTFVUCR-QFIPXVFZSA-N	324.406	1.726	50	20	DDGD	
CC(C)c1nccn1CC(=O)NNC(=O)c1ccc(Cl)nc1	874072618	UBRLLTNRCJAXSH-UHFFFAOYSA-N	321.768	1.516	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1cc(F)c(F)c(F)c1	872403446	UJWVEQPULMJGHN-UHFFFAOYSA-N	304.268	1.607	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)Oc1ccc(C)cc1	771979762	XPWAJXAGJOWZBA-VXGBXAGGSA-N	322.361	1.251	50	20	DDGD	
CSCC[C@H](NC(N)=O)C(=O)NNc1ccc(F)c(F)c1	885115345	GCSQTURYJPYBFQ-JTQLQIEISA-N	318.349	1.198	50	20	DDGD	
Cc1ccc2cc(C(=O)NNC(=O)C3CCOCC3)ccc2n1	883065895	AHMPJNWOURFOEB-UHFFFAOYSA-N	313.357	1.731	50	20	DDGD	
N[C@@H]1CCCN(Cc2cn(/C=C/CBr)nn2)C1	887442413	FTHFLRQEHCJMMW-GCEAOBNSSA-N	300.204	1.067	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2cc(Cl)nc(N)n2)c1C	773868111	YFEJHOOGNQFKAI-UHFFFAOYSA-N	309.761	1.302	50	20	DDGD	
C[C@@H](O)c1cn(CC(=O)NNc2ccc(F)cc2Cl)nn1	885137399	WVEFBSFENBRHAN-SSDOTTSWSA-N	313.720	1.267	50	20	DDGD	
COc1nn(C)cc1C(=O)NNC(=O)c1cc2c(s1)CCC2	883956062	WSQUCDITLHOZGV-UHFFFAOYSA-N	320.374	1.054	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cn2cnc3ccccc32)c1	781037700	OFDDENNKSWSCBJ-UHFFFAOYSA-N	324.340	1.966	50	20	DDGD	
CCCCS[C@@H](C)C(=O)O[C@H](C)C(=O)NNC(=O)CC	785737117	BIQUWPVYZLCGJP-ZJUUUORDSA-N	304.412	1.397	50	20	DDGD	
COC(=O)[C@H]1CSCCN1C[C@H](CBr)C1CC1	887078912	GGXUTLRBASKAHW-WDEREUQCSA-N	322.268	1.998	50	20	DDGD	
COc1c(C)cnc(CNS(=O)(=O)CCCCl)c1C	881844125	JGPKLLLCYZSXPD-UHFFFAOYSA-N	306.815	1.755	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)N[C@@H]1CC[C@H](C)C1	780788503	GBESMQXIQJLJNB-NWDGAFQWSA-N	321.377	1.593	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc(F)cc2nc[nH]c12	899991854	CALBGGUVQYDHRV-UHFFFAOYSA-N	309.370	1.609	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC2CC2)c(OCC(C)C)c1	789743501	BKXUGIVVZYLBRV-UHFFFAOYSA-N	321.377	1.836	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cnc(Cl)n2C)n1	896995111	HIFRRBDUUHKKAT-UHFFFAOYSA-N	323.788	1.467	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1nc(C2CCC2)cs1	789722102	VDTTXPCFIKXLTH-UHFFFAOYSA-N	317.374	1.887	50	20	DDGD	
CCOc1c(Cl)cccc1C=NNC(=O)NCC(=O)OC	782269970	YZDFVKGZEZGYOA-UHFFFAOYSA-N	313.741	1.545	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccn1Cc1ccccc1	780711242	KCQWMULBWOTGAM-UHFFFAOYSA-N	300.362	1.843	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C)c(C(C)=O)c1	789131582	BEJRYXLXIYCOFG-NSHDSACASA-N	320.345	1.300	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NNc1ccc2c(=O)[nH]ccc2c1	897693549	PNKXCVXSFCSUHL-CQSZACIVSA-N	314.389	1.844	50	20	DDGD	
O=C(NN=C1CCC[C@H](C(F)(F)F)C1)C(=O)N1CCCC1	783513526	UCMXNEUPHRRDHZ-VIFPVBQESA-N	305.300	1.834	50	20	DDGD	
C/C(=C(/F)C(=O)NNC(=O)[C@H]1COc2ccccc2O1)C1CC1	899936779	HCPAXZREOIMSDX-CKXDQPNJSA-N	320.320	1.627	50	20	DDGD	
CCn1nc(C2CC2)cc1C(=O)NNC(=O)c1ccccc1O	891810771	VZCJSVOFDAUFPF-UHFFFAOYSA-N	314.345	1.561	50	20	DDGD	
O=C(NN=C1COc2cc(O)ccc21)c1ccc(O)c(O)c1	794558920	LOBASYALWFXEKL-UHFFFAOYSA-N	300.270	1.330	50	20	DDGD	
COc1cccc2c1CCC(=NNC(=O)C[n+]1ccccc1)C2	794457311	NQZRHIGJZQNIHO-UHFFFAOYSA-O	310.377	1.644	50	20	DDGD	
COc1cccc(NCC(=O)NN=C(C)c2cnoc2C)c1	799473366	BYRGXYGTDMRMQY-UHFFFAOYSA-N	302.334	1.944	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1cnnn1-c1cccc(F)c1	790023338	PRTGVMOQAWPTTL-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)S[C@@H](C)C(=O)OC(C)(C)C	794864015	JZTDVPHAPNEICZ-IUCAKERBSA-N	304.412	1.396	50	20	DDGD	
CC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)c1cc(C)on1	790287619	MXNLOCCYRQXXSY-UHFFFAOYSA-N	303.278	1.627	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C2CCC(O)CC2)cc1C	792013741	FDFQGZRYSRGRNH-UHFFFAOYSA-N	320.389	1.381	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cccc2nc[nH]c12	798315548	XCXAEPGXLUDAIQ-UHFFFAOYSA-N	301.228	1.069	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2	790065121	JCEFWTIDDXRRMZ-AVGNSLFASA-N	312.410	1.749	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccccc1OC1CCC1	798305899	KXXJWHQHSDPIIX-UHFFFAOYSA-N	305.403	1.913	50	20	DDGD	
Cc1nc(C)c(C(=O)NNc2cccc(S(C)(=O)=O)c2)o1	1319845612	HQKNVKRETQWVTC-UHFFFAOYSA-N	309.347	1.452	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(C(C)(C)C)nn1)c1nncn1C	1318682614	JGWKFNMMXCWFBD-SECBINFHSA-N	318.385	1.290	50	20	DDGD	
C=CCNC(=S)NNC(=O)C1(c2ccccc2OC)CCC1	1321299116	OLMCNTJXUSODKQ-UHFFFAOYSA-N	319.430	1.798	50	20	DDGD	
COc1cc2nc(C)sc2cc1NC(=O)NNC(=O)CCO	1320567290	QPGGFYSXHQSQEQ-UHFFFAOYSA-N	324.362	1.148	50	20	DDGD	
CNC[C@@H](C)CNC(=O)NNc1ccc(OC(F)F)cc1	1325681092	ONLKLYCWIQJNJC-SECBINFHSA-N	302.325	1.770	50	20	DDGD	
COC1(OC)CC(CNC(=O)[C@@]2(C)C[C@H]2Br)C1	1336834419	FYSVAEJHQUGACM-KOLCDFICSA-N	306.200	1.675	50	20	DDGD	
O=C(O)c1cccc(C=NNC(=O)C2CCOCC2)c1Cl	1331995284	VFNNXQBUNVUQKN-UHFFFAOYSA-N	310.737	1.915	50	20	DDGD	
CCOC(=O)NNC(=O)c1cnn(-c2ccccc2)c1OC	1338233516	NXVATMHUWOMEME-UHFFFAOYSA-N	304.306	1.272	50	20	DDGD	
C[C@H]1CCc2[nH]nc(C(=O)NN=c3cc[nH]cc3Cl)c2C1	1332054105	OLEHREQVUDXXNW-QMMMGPOBSA-N	305.769	1.762	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccc(F)cn2)c(=O)cc1C	1332401797	MHFAHWHFPYYWFN-UHFFFAOYSA-N	320.324	1.094	50	20	DDGD	
COc1ccc(CCCNS(=O)(=O)CBr)cc1	782423624	SCZNFGFXPGLYMQ-UHFFFAOYSA-N	322.224	1.900	50	20	DDGD	
C=CC[C@H](NC(=O)[C@]1(C)C[C@@H]1Br)C(=O)OCC	1333269920	VWJVTKVBOHNADF-HOTUBEGUSA-N	304.184	1.784	50	20	DDGD	
COc1nn(C)cc1C(=O)OC[C@]1(C)C[C@@H]1Br	1263536774	FFHVJCZTZFCWKA-KWQFWETISA-N	303.156	1.759	50	20	DDGD	
O=C1CC[C@@H]2[C@H]1[C@@H]2C(=O)NNc1cncc(Br)c1	1352034167	NMGYLICZSJVUFI-FBIMIBRVSA-N	310.151	1.512	50	20	DDGD	
Cc1c([C@@H](C)NC(=O)NNC(=O)C(=O)O)oc2ccccc12	1600057184	FMXABVMIFBAQKS-MRVPVSSYSA-N	305.290	1.217	50	20	DDGD	
CCOC(=O)[C@@H]1CC[C@H](C(=O)NNc2cccc(C(=O)O)c2)C1	1605559136	XQMOZAXFHAVGLM-CMPLNLGQSA-N	320.345	1.807	50	20	DDGD	
C#CC[C@@H](COC)NC(=O)NNc1ccc(C(=O)O)c(F)c1	1602683474	QFCCNRMESFIYMB-JTQLQIEISA-N	309.297	1.188	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H]1CCc2cc(-c3nn[nH]n3)ccc21	1604360092	BLHPVJVGOASDFL-BRADTZPFSA-N	324.344	1.414	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cc(C(=O)O)cs2)nc1	1607808614	VMGXGFRVOJXNBM-UHFFFAOYSA-N	320.330	1.232	50	20	DDGD	
O=C(O)CCC(=O)NNc1ccc(Br)cc1F	1606101676	KVNLSONXLLLCDD-UHFFFAOYSA-N	305.103	1.896	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1ccncc1Cl	1549317156	VSAVQLPPGZZXBV-SMDDNHRTSA-N	322.796	1.438	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1coc(C(C)C)n1	1549321866	VPICQTWOBKOACA-JSGCOSHPSA-N	320.393	1.501	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)nc1)[C@@H]1CN2CCC[C@H]2CO1	1549317386	KWUDSIPBRVPIJP-RYUDHWBXSA-N	308.769	1.048	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C=NNC(=O)c1cnsn1	1552920051	LXSCOJMRDVJBDB-MWLCHTKSSA-N	320.378	1.155	50	20	DDGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)[C@H]2C[C@@H](N)C2)cc1	1573523779	ITHIQLMADBFTDY-PHIMTYICSA-N	322.434	1.529	50	20	DDGD	
O=C(NNc1ccc(Br)nc1)[C@H]1CC[C@H]1C(=O)O	1574578756	NVRJZUINVAATSL-JGVFFNPUSA-N	314.139	1.398	50	20	DDGD	
CC(C)(C(=O)NNc1cccc(F)c1C(=O)O)n1cccn1	1589574790	LUKBPKBECMJIKG-UHFFFAOYSA-N	306.297	1.599	50	20	DDGD	
O=C(C[C@H]1CNc2ccccc21)NNC(=O)c1ccccc1O	1580518097	VHXVLHGISKKYOF-NSHDSACASA-N	311.341	1.753	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1[N+](=O)[O-])[C@H](F)[C@@H]1CCNC1	1580736905	BTFUXZUQANRVCA-RDDDGLTNSA-N	316.720	1.639	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1coc(-c2nn[nH]n2)c1	1591993420	JDMOSUFMRBILNV-UHFFFAOYSA-N	302.269	1.664	50	20	DDGD	
COc1c(C(=O)NNc2ccc(C)c(C(=O)O)c2)ccnc1F	1599327912	CVEVBDVWOUNRHA-UHFFFAOYSA-N	319.292	1.993	50	20	DDGD	
CCCC(CCC)C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1590556824	ZESKGNFBAZGJIP-UHFFFAOYSA-N	303.370	1.921	50	20	DDGD	
CN(NC(=O)[C@@H]1CCC[C@H](C(=O)O)C1)C(=O)OC(C)(C)C	1598542215	ZPKSUPICRURJEX-ZJUUUORDSA-N	300.355	1.776	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2ccc(C(=O)O)nc2)c1	1594616619	OPTJJBDEARWPSK-UHFFFAOYSA-N	317.692	1.457	50	20	DDGD	
COc1cc(C(=O)O)ccc1C=NNC(=O)NC1CCCC1	1776040165	XKVCDUICXPMFJQ-UHFFFAOYSA-N	305.334	1.969	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NN=Cc1ccc(C(=O)O)c(O)c1	1776098746	WNSKNMXOGANZPC-GFCCVEGCSA-N	319.361	1.413	50	20	DDGD	
CC(=NNC(=O)c1cccc(C(=O)O)c1)c1cnc(C)nc1C	1776095310	RADPQDIWCVNAEI-UHFFFAOYSA-N	312.329	1.946	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccnc2OCC(C)C)[nH]n1	151205923	IRRCBIDUBGVKFY-UHFFFAOYSA-N	317.349	1.223	50	20	DDGD	
CCCCn1nccc1NC(=O)C(=O)NNc1ccccc1F	155649434	WCBJSOZZSJOUEZ-UHFFFAOYSA-N	319.340	1.904	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cccc(F)n1	159008817	BKWAAECHIAQUHX-SECBINFHSA-N	321.283	1.588	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](C)C(=O)NCc1ccccc1	159140934	URXSXAGORHJSRE-PBBNAPBQSA-N	301.346	1.251	50	20	DDGD	
O=C(CN1C(=O)COc2ccccc21)NNc1ccccc1F	748055751	GDSCNXJLUMVWIU-UHFFFAOYSA-N	315.304	1.694	50	20	DDGD	
O=C(O)CN(Cc1ccccc1)S(=O)(=O)CBr	275193056	ZVQRJDYLLUHYSV-UHFFFAOYSA-N	322.180	1.255	50	20	DDGD	
CC(C)(C)OC(=O)NC[C@H](NS(=O)(=O)CCl)C1CC1	830663192	ABYMERBUUGTLMB-VIFPVBQESA-N	312.819	1.405	50	20	DDGD	
Cc1nnc(CC(=O)N(C)NC(=O)OCc2ccccc2)s1	862288821	IUXXUUWUCWORTH-UHFFFAOYSA-N	320.374	1.689	50	20	DDGD	
COc1cc(Cl)ccc1CNC(=O)NNc1ncccn1	107858321	CRJWVEZWDPBHCF-UHFFFAOYSA-N	307.741	1.965	50	20	DDGD	
C[C@@H](c1ccco1)N(C)C(=O)NNC(=O)Cc1cccnc1	103518619	QCOWKKPWPWFZDY-NSHDSACASA-N	302.334	1.651	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cccc(F)c2F)c1O	102469261	ARWSICULEKETRL-UHFFFAOYSA-N	322.267	1.754	50	20	DDGD	
C[C@@H](CN1CCCC1=O)NC(=O)NNc1ccccc1Cl	57016856	GSVBOHOQSBKXFI-JTQLQIEISA-N	310.785	1.977	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C	53675165	XHIYDIMMVYZTIT-WFSQQTBHSA-N	319.405	1.982	50	20	DDGD	
Cn1nnnc1SCCC(=O)NNc1c(F)cccc1F	118515493	BCRYWXXHMDHHAZ-UHFFFAOYSA-N	314.321	1.114	50	20	DDGD	
CNc1cc(C(=O)NNC(=O)OC(C)(C)C)cc(Cl)n1	111545724	DXZQILHDDDLYCU-UHFFFAOYSA-N	300.746	1.946	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H]1CC(=O)N(C2CCC(C)CC2)C1	66815586	RMCVRUBWPIXOKP-CXQJBGSLSA-N	311.382	1.191	50	20	DDGD	
O=C(/C=C/C1CCOCC1)NNC(=O)c1cccc([N+](=O)[O-])c1	112161126	MEKLQGHKCUBMBG-SNAWJCMRSA-N	319.317	1.339	50	20	DDGD	
O=C(NC[C@H]1CC=CCC1)NNc1ccc(-n2cccn2)nn1	69240186	MOWWIHCRDBYVCV-LBPRGKRZSA-N	313.365	1.645	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)CSC[C@H]1CCCCO1	171482358	XTEOKBYXIPTEPO-LLVKDONJSA-N	302.440	1.872	50	20	DDGD	
CCN1CCC[C@@H]1CN(C)C(=O)NNC(=O)c1ccc(C)s1	177436441	ZCSBULUSUWLQHB-GFCCVEGCSA-N	324.450	1.827	50	20	DDGD	
Cc1cccc(CCC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c1	69641406	SLFAQGJWPPYIPP-HNNXBMFYSA-N	324.446	1.420	50	20	DDGD	
Cc1ccc(Cl)cc1NC(=O)NNC(=O)c1cnn(C)c1	119047775	ULEWQCZHHQZFCK-UHFFFAOYSA-N	307.741	1.848	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1csc(Cc2ccccc2)n1	113424926	WHTHANSEVAINDS-UHFFFAOYSA-N	318.402	1.057	50	20	DDGD	
CCCC[C@@H](NNC(=O)COCC)C(=O)Nc1cc(C)on1	112546227	JHZKALOZGLGZQA-LLVKDONJSA-N	312.370	1.138	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc[nH]2)C12CCCC2	173514341	OOEZIZPBAZXNGL-CHWSQXEVSA-N	320.393	1.697	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)NNc1cc(F)c(F)c(F)c1	175476373	KOTKSUXVNXZZDR-UHFFFAOYSA-N	324.324	1.618	50	20	DDGD	
COCCCNC(=O)NNC(=S)Nc1cc(C)cc(C)c1	64937324	PBFUTMZBPYNGTB-UHFFFAOYSA-N	310.423	1.841	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(-n2cccn2)c(Cl)c1	171263887	VTPWELDCVQAPRH-UHFFFAOYSA-N	309.713	1.918	50	20	DDGD	
Cc1c(C(=O)NNc2cnccn2)cnn1Cc1ccccc1	114879522	YDUVSKCSSCIJQP-UHFFFAOYSA-N	308.345	1.787	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1F)NC1CCOCC1	177405694	GAFZTAPAYHWIDY-UHFFFAOYSA-N	315.732	1.602	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2cc(F)ccc2O)c1	176931762	JNTVZMKFPDMMPB-UHFFFAOYSA-N	317.320	1.672	50	20	DDGD	
COc1ccccc1CCC(=O)NNC(=O)c1ccc(C)o1	175827953	JQROVRYCEQRERU-UHFFFAOYSA-N	302.330	1.990	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1)C1CCC1	69707506	KDFBWMDUQIFIHT-ZDUSSCGKSA-N	323.299	1.405	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc(F)c(F)c2)cc1	61473905	MTJPMDPRLLWKAB-UHFFFAOYSA-N	301.252	1.911	50	20	DDGD	
O=C1CC[C@@H]2[C@@H]1[C@@H]2C(=O)NNc1cncc(Br)c1	1352034165	NMGYLICZSJVUFI-DVVUODLYSA-N	310.151	1.512	50	20	DDGD	
Cc1ncccc1NC(=O)C(=O)NNc1cc(F)c(F)c(F)c1	126365161	GQLMDIMBPGJCOS-UHFFFAOYSA-N	324.262	1.889	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1c(C)cc(C)cc1C	124792451	KLZJMFNWAVPRNG-SNVBAGLBSA-N	305.378	1.744	50	20	DDGD	
CCOC(=O)NNC(=O)CCCc1nc(-c2cccs2)no1	33225239	XWXVPVUKWKEGRR-UHFFFAOYSA-N	324.362	1.898	50	20	DDGD	
CCCC(=O)N1CCCC[C@@H]1C(=O)NNc1ncc(F)cn1	122697089	BNXLMUMOYSZFOR-LLVKDONJSA-N	309.345	1.240	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1c[nH]nc1-c1cc2ccccc2o1	189109056	FQLMENXJWZOHMY-UHFFFAOYSA-N	313.317	1.739	50	20	DDGD	
CC(C)C[C@@H](C(=O)NNc1ncc(F)cn1)N1CCCCC1=O	122899608	CFLQDFOANVDNBT-LBPRGKRZSA-N	323.372	1.486	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2ccc(C)cc2F)n1	181515834	GETOLYDCKPDKCU-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
CN(NC(=O)CCCN1C(=O)NC(C)(C)C1=O)c1ccccc1	139108660	FUUCCPBCEGOZQT-UHFFFAOYSA-N	318.377	1.265	50	20	DDGD	
O=C(Cc1cccc(F)c1F)NNc1ncnc2nc[nH]c12	133512812	QXFLKMBRSXHBBS-UHFFFAOYSA-N	304.260	1.317	50	20	DDGD	
O=C(CCOC1CCOCC1)NNC(=O)c1ccccc1F	84515398	SOZUMJAZLPRZFT-UHFFFAOYSA-N	310.325	1.172	50	20	DDGD	
CCOCCNC(=O)NNC(=O)COc1cc(C)cc(C)c1	45643840	CDFBXOWZHHWNRL-UHFFFAOYSA-N	309.366	1.049	50	20	DDGD	
O=C(NNC(=O)C(=O)N1CCCC1)Nc1ccc(Cl)cc1	194910177	HCGINQRPFPWWSE-UHFFFAOYSA-N	310.741	1.115	50	20	DDGD	
O=C(COCC1CC1)NNC(=O)Cc1ccc2ccccc2c1	80094537	NUONBXJOOLEQGE-UHFFFAOYSA-N	312.369	1.956	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1ncccn1)c1ccc(F)cc1	80596150	OBPRBJQXNXJYOX-LBPRGKRZSA-N	305.313	1.630	50	20	DDGD	
COc1cc(C=NNC(=O)c2sc(N)nc2C)ccc1O	254309569	AMHQGUWEVRTTJB-UHFFFAOYSA-N	306.347	1.512	50	20	DDGD	
Cc1ncc(/C=C\C(=O)NNC(=O)c2ccc(C#N)cc2)s1	255673837	NNDUXPLWWSSYDO-SREVYHEPSA-N	312.354	1.798	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)C3CCC(C)(C)CC3)nc21	269299930	JGLOZNKYQYCRGK-UHFFFAOYSA-N	318.381	1.728	50	20	DDGD	
O=C(NNC(=O)c1ccc2sccc2c1)C(=O)N1CCCC1	268463346	HTALPOYOKHUNCY-UHFFFAOYSA-N	317.370	1.285	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](C[S@](C)=O)c1ccccc1	269448211	BKOIKUKBVPCZOU-JFGFHLQBSA-N	306.387	1.666	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCOCCC(C)C)n1	266999071	XTWZDTGSQGIOCF-UHFFFAOYSA-N	311.386	1.482	50	20	DDGD	
O=C(CCc1cnn(-c2ccccc2)c1)NNC(=O)C1CCC1	264651835	BITDEJXHAMVNQZ-UHFFFAOYSA-N	312.373	1.752	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@H](C)C(C)(C)C)cc1	265156421	DBZQQEXBWRKMBI-NSHDSACASA-N	307.394	1.937	50	20	DDGD	
Cc1ccc2c(c1)CC[C@H]2NC(=O)NNC(=O)Cc1cccnc1	264085796	FBGVECKPFGQBRC-MRXNPFEDSA-N	324.384	1.950	50	20	DDGD	
COCC[C@@H](C)NC(=O)NNc1cccc(S(C)(=O)=O)c1	271924403	XFALLNFWWMBSDW-SNVBAGLBSA-N	315.395	1.141	50	20	DDGD	
O=C1CCC[C@H](C(=O)NNc2ncc(Cl)cc2Cl)N1	274745322	MOJFSEJOFRXVOL-MRVPVSSYSA-N	303.149	1.500	50	20	DDGD	
CC(C)=CCCNC(=O)NNC(=O)Cc1cn2ccccc2n1	276920315	XRACFERHZJYWOG-UHFFFAOYSA-N	315.377	1.564	50	20	DDGD	
CSCc1noc(CCC(=O)NNc2ncccc2C)n1	276660946	BWQQVHYIVOHNLA-UHFFFAOYSA-N	307.379	1.712	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C)C1CC1	279464403	CWKLGIYWKUVKDF-SWLSCSKDSA-N	320.389	1.643	50	20	DDGD	
C[C@H](C(=O)NNc1cnccn1)[C@@H](C)NC(=O)OC(C)(C)C	277003550	DEVZGYBSIUQFMV-VHSXEESVSA-N	309.370	1.469	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H]1COc2ccc(Cl)cc2C1	272713891	YJUOYPDTJJGDDP-SNVBAGLBSA-N	311.769	1.584	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C1(Cc2ccc(F)cc2)CC1	275397477	DJQYOLUHBYXFHJ-UHFFFAOYSA-N	315.348	1.948	50	20	DDGD	
CCN(C[C@@H]1CCCO1)C(=O)NNC(=O)c1ccccc1OC	275911254	WCSDERRGVHAYFT-LBPRGKRZSA-N	321.377	1.551	50	20	DDGD	
COCCN(C)NC(=O)c1csc(Cc2ccccc2)n1	288297148	BNNCEYMQPYGBGQ-UHFFFAOYSA-N	305.403	1.957	50	20	DDGD	
CC[C@@H](C)[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	282365466	CAAQVIKLZOXHMH-NEPJUHHUSA-N	305.378	1.763	50	20	DDGD	
CNC(=O)NNC(=O)C(C)(C)c1ccccc1Br	281815796	ZGBCPLJYXUTTTF-UHFFFAOYSA-N	314.183	1.687	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C2=C(C)OCCS2)c1O	287277696	RHZOFYMOMILDKL-UHFFFAOYSA-N	324.358	1.157	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc2ccn(C)c(=O)c2c1	284931136	PWLVRCGEAADYJJ-JTQLQIEISA-N	316.361	1.737	50	20	DDGD	
CSC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	281399881	YMXRHSALLFKIMK-LLVKDONJSA-N	323.418	1.388	50	20	DDGD	
CC1(CCNC(=O)NNc2cccc(S(C)(=O)=O)c2)CC1	280459438	SGIHMCPTGRTPBB-UHFFFAOYSA-N	311.407	1.906	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)N2CCN(C)CC2)cc1	285727130	BLLKBOULJKFJBM-UHFFFAOYSA-N	322.434	1.075	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H](OC)C1CC1	280548002	KURIWZJXMNAQNB-OAHLLOKOSA-N	306.362	1.200	50	20	DDGD	
COCC(C)(C)CNC(=O)NNC(=O)c1c[nH]c2ccccc12	291777748	NKAXLSJFSUMTOU-UHFFFAOYSA-N	318.377	1.785	50	20	DDGD	
CSC1(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)CC1	802119738	REHOVURJIIXGEU-UHFFFAOYSA-N	308.407	1.801	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNC(=O)c2ccc[nH]2)ccc1F	806976953	PBRYKJDWNHUJGD-UHFFFAOYSA-N	318.308	1.116	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1F	292592079	JCRSWRKMKGGWSC-UFBFGSQYSA-N	311.313	1.555	50	20	DDGD	
Cc1sc(NNC(N)=O)nc1-c1ccc2c(c1)CC(=O)N2C	800721673	QKKDQDUNOIORMY-UHFFFAOYSA-N	317.374	1.633	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCC[C@@H](C)CCO)cc(C#N)n1C	295843877	CXFVNWHQVRDPTO-AZZDOICSSA-N	314.389	1.637	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)c2cccc(N(C)C)c2)n[nH]1	298745865	RAJUCALPJBYQFN-UHFFFAOYSA-N	315.377	1.674	50	20	DDGD	
COc1cccc(NNC(=O)Nc2nc([C@@H](C)OC)ns2)n1	809927952	HDBKJBBIAKEKHR-SSDOTTSWSA-N	324.366	1.798	50	20	DDGD	
C[C@H]1C[C@@H](O)CCN1C(=O)NNC(=O)c1cc2ccccc2o1	292673855	MIYMYBKJLBVMQG-JQWIXIFHSA-N	317.345	1.632	50	20	DDGD	
O=C(NNC(=O)C1(c2ccccc2F)CC1)[C@@H]1CCCCO1	295311396	FTIYBDKYPPUNIA-ZDUSSCGKSA-N	306.337	1.574	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)[C@H](F)c1ccccc1	804956086	ZEUJZHATNPVERJ-CQSZACIVSA-N	312.308	1.816	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)CSCC#N)cc1C	298275350	OASPVZPMRAOGAM-UHFFFAOYSA-N	307.375	1.872	50	20	DDGD	
COc1cccc([C@H](C)NC(=O)NNC(=O)[C@@H]2CCCO2)c1	292011758	SDEPNWPBWMFGRE-GWCFXTLKSA-N	307.350	1.266	50	20	DDGD	
CN(NC(=O)COc1ccccc1C=O)C(=O)OC(C)(C)C	297631929	LESBLXDCIKKBMO-UHFFFAOYSA-N	308.334	1.776	50	20	DDGD	
NC(=O)c1ccccc1NCC(=O)NNc1cccc(F)c1F	809697837	PPISMSCORZYSCS-UHFFFAOYSA-N	320.299	1.619	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)COc1cccc(C)c1	811630212	CNVQNOYVMRBHTN-ZDUSSCGKSA-N	303.362	1.535	50	20	DDGD	
CCCn1nc(C)c(C=NNC(=O)N=c2cc[nH]cc2)c1C	815001609	QXWPDNIJSZSRBG-UHFFFAOYSA-N	300.366	1.882	50	20	DDGD	
COC(=O)[C@@H]1[C@H]2CN(C(=O)/C(C#N)=C\c3ccc(O)cc3)C[C@H]21	816966108	JZZNWLPRYYSDNN-HNZDXRROSA-N	312.325	1.177	50	20	DDGD	
COC(=O)C(C)(C)CC=NNC(=O)c1ccnc(N(C)C)c1	814844480	KVIGVLWQZWSDME-UHFFFAOYSA-N	306.366	1.453	50	20	DDGD	
Cn1c(N)nc(Cl)c1C=NNC(=O)CCc1ccccc1	814825647	IIEBUGMIKZWFJC-UHFFFAOYSA-N	305.769	1.739	50	20	DDGD	
O=C(CCn1ccnc1)NNC(=S)NCCc1cccs1	819432114	MWKBYCCYZWQKEU-UHFFFAOYSA-N	323.447	1.073	50	20	DDGD	
CCCNC(=O)NNC(=O)C12CCC(C(=O)OC)(CC1)CC2	814632397	LBTSOXDXJQAHDP-UHFFFAOYSA-N	311.382	1.240	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1ccc(CC(=O)O)cc1	814954055	UHHYWSYJVVLOCI-UHFFFAOYSA-N	300.318	1.120	50	20	DDGD	
O=C1CC(C(=O)NNc2cnccn2)(c2cccc(Cl)c2)C1	810407011	KTAVRQJTLONOSD-UHFFFAOYSA-N	316.748	1.874	50	20	DDGD	
Cn1cnnc1COCC(=O)NNc1ccc(C#N)c(Cl)c1	816084114	QCJQZQWSKJZSHO-UHFFFAOYSA-N	320.740	1.000	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12	825756150	JUPVUAQRGMGBKO-HZSPNIEDSA-N	302.374	1.908	50	20	DDGD	
Cc1ccc(OCCNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	825525493	FHLRTXBLGUQVAN-TZMCWYRMSA-N	321.377	1.129	50	20	DDGD	
COC(=O)N[C@@H](CC(C)C)C(=O)NNc1ncncc1Cl	496513204	NGSGMKNUKOZBQD-VIFPVBQESA-N	315.761	1.344	50	20	DDGD	
N#Cc1ccc(CN2CCN(S(=O)(=O)CCl)CC2)cc1	820773559	AEMGQPIQBDATSV-UHFFFAOYSA-N	313.810	1.202	50	20	DDGD	
CCCC(CC)=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	825234177	WWPOFUWWDJQETK-UHFFFAOYSA-N	316.365	1.928	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)CNc2ccccc2)c1C(F)F	729513191	AFUOJIUAWOOTIO-UHFFFAOYSA-N	323.303	1.231	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)NNC(=O)C1CC1	491616720	MGIFKWZFCCZMCI-GHMZBOCLSA-N	311.382	1.237	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccccc1Oc1cnn(C)c1	496087343	OWGLKCHNPTWFLF-UHFFFAOYSA-N	304.306	1.603	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)Nc1nc2n(n1)CCCC2	823735950	NMWHVWUUXYCILC-UHFFFAOYSA-N	307.745	1.811	50	20	DDGD	
CCC[C@H](OC)C(=O)NNc1ccccc1S(C)(=O)=O	825806114	ZBQGNUCTULULMY-NSHDSACASA-N	300.380	1.348	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C[C@@H]2CC[C@H]3C[C@H]23)c1	822200635	UDKSUHNVBQQEEX-PGUXBMHVSA-N	318.373	1.901	50	20	DDGD	
Cc1nc([C@H]2CCN(C(=O)/C(C#N)=C\c3ccc(O)cc3)C2)n[nH]1	491135261	SPBIKEGTDRHXEI-IAOKNECISA-N	323.356	1.742	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cnc(S)n1-c1ccc(F)cc1	823976368	CDLVTJREZXZLMU-VIFPVBQESA-N	324.381	1.258	50	20	DDGD	
Cc1noc(CCC(=O)NNc2ccc(F)c(F)c2F)n1	728718665	PBDROQCXVWDQMZ-UHFFFAOYSA-N	300.240	1.871	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C\c1ccc(-c2nn[nH]n2)cc1F	820091845	BJIUOYVQFKEWSL-XGICHPGQSA-N	314.324	1.685	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CCCCN2C2CCCC2)nc(N)n1	828371134	GHKFXZMYLLFVCG-ZDUSSCGKSA-N	318.425	1.607	50	20	DDGD	
COCCOCCCCNC(=O)[C@]1(C)C[C@@H]1Br	906485228	MLURPUXAEXESEL-CMPLNLGQSA-N	308.216	1.719	50	20	DDGD	
CC1(C)CN(C(=O)c2ccc(B(O)O)c(F)c2)[C@@H]2CCC[C@H]21	584995242	TUPZCOZHSZNHHI-BXUZGUMPSA-N	305.158	1.156	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C[S@@](=O)c1ccc(Cl)cc1	907253333	SOLCFLDIAIIGDA-HXUWFJFHSA-N	317.798	1.140	50	20	DDGD	
C#CCN(CC#CC)CC(=O)NNC(=O)c1ccccc1Cl	491733259	CYNFKZFDNDQPMZ-UHFFFAOYSA-N	317.776	1.060	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)CNCc1ccc(B(O)O)cc1F	585029888	LHFCNUDWNJADIR-VIFPVBQESA-N	306.146	1.004	50	20	DDGD	
C#CCCCC(=O)NN=Cc1ccc(N2CCC(O)CC2)cc1	901327161	ZFQDWTGTKZWIRH-UHFFFAOYSA-N	313.401	1.901	50	20	DDGD	
CCN(CCO)NC(=O)C1(c2ccccc2C)CCOCC1	823852843	QNVJRZKIQHMPSA-UHFFFAOYSA-N	306.406	1.389	50	20	DDGD	
Cc1nc[nH]c1CC(=O)NNC(=S)NCCc1cccs1	820170991	ALFQSJGEMUQVGJ-UHFFFAOYSA-N	323.447	1.060	50	20	DDGD	
C=CCc1cc(/C=C(/C#N)S(=O)(=O)N(C)C)cc(OC)c1O	588616087	QTRCLVDMIZJMFA-JYRVWZFOSA-N	322.386	1.885	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@H](c2ccccc2F)C1	827772859	YIONBNVRXTWXFZ-LBPRGKRZSA-N	307.369	1.418	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1ccnc2ccccc12	731313970	SQERGNBYUBQZFC-UHFFFAOYSA-N	322.324	1.708	50	20	DDGD	
COc1ccc(NNC(=O)/C=C\[C@@H]2CCOC2)c([N+](=O)[O-])c1	493549155	HBLJZMGWGAVSMV-XJIUSYNZSA-N	307.306	1.639	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CCOc1ccccc1)c1cnccn1	906460388	UAZSOFQAGGFEEB-LBPRGKRZSA-N	314.345	1.197	50	20	DDGD	
CC(C)OC1CCC(NCc2ccc(B(O)O)cc2F)CC1	585049093	KIWLRWBOVCIUOS-UHFFFAOYSA-N	309.190	1.331	50	20	DDGD	
Cn1c(NNC(=O)c2cc(O)cs2)nc2ccccc2c1=O	733365446	LFNYCKAZGPZIBF-UHFFFAOYSA-N	316.342	1.458	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)/C=C\c2ccc[nH]2)cc1	492895038	JQAOTFIXUFNBML-HJWRWDBZSA-N	312.329	1.122	50	20	DDGD	
Cc1cc2c(o1)CC(C)(C)C[C@H]2NCc1ccc(B(O)O)o1	585017573	ZUAAJBRQPTVDEB-CYBMUJFWSA-N	303.167	1.664	50	20	DDGD	
O=C(c1ccccc1Oc1cccnc1)N1CC[C@H](B(O)O)C1	585069200	JEZCFNUJLQTVKY-LBPRGKRZSA-N	312.134	1.563	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCCc2cc(N)ccc21	834964016	VEAMOYQTCXGRBJ-LLVKDONJSA-N	305.378	1.477	50	20	DDGD	
C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NNc1ccccc1	736185316	UTLWIWWPWNWGCS-NSHDSACASA-N	324.344	1.777	50	20	DDGD	
O=C(NNc1cccc(F)n1)C1CCC(N2CCOCC2)CC1	908170344	AEPUYNGPYOPXRW-UHFFFAOYSA-N	322.384	1.555	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccc(S(=O)(=O)CC2CC2)cc1	836201456	IQCFEJFLDNRPEY-UHFFFAOYSA-N	322.386	1.041	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1sc(C(C)(C)C)nc1C	732082342	BBDZVVDVYONLFA-UHFFFAOYSA-N	321.406	1.855	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1cccc2cccnc12	734741849	PTYYCCARCPJXJH-UHFFFAOYSA-N	322.390	1.527	50	20	DDGD	
Cc1c(C(=O)O)oc2c1C(=NNC(=O)c1cnn(C)c1)CCC2	735413229	IERLSCYFUIWJJG-UHFFFAOYSA-N	316.317	1.490	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NCC2=CCCOC2)ccc1F	838591988	MGMZHKAHDPYIPC-UHFFFAOYSA-N	323.324	1.585	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cc(C2CC2)ccn1	831822898	QDZBQLXLJOJXGC-SKDRFNHKSA-N	304.350	1.537	50	20	DDGD	
Cc1ccc(C)c(C(=O)CCC(=O)N2CC[C@@H](B(O)O)C2)c1	585075644	TUBLOBFJGYLYJH-CYBMUJFWSA-N	303.167	1.342	50	20	DDGD	
COC[C@H](NC(=O)[C@]1(C)C[C@H]1Br)[C@@H]1CCCO1	907851299	YZRJJUMTVCSDJS-UXCLJVHYSA-N	306.200	1.470	50	20	DDGD	
Cc1cc(-n2c(C)cc(C(=O)N3CC[C@H](B(O)O)C3)c2C)no1	585069779	SFOVGIIVFPDBJU-LBPRGKRZSA-N	317.154	1.079	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)CCNC(=O)O)c1	738603687	OJOYJKYSTXGJLJ-UHFFFAOYSA-N	314.342	1.109	50	20	DDGD	
OB(O)c1cccc(CN[C@H]2CC[C@H](c3cccc(F)c3)C2)c1	585039913	XCPMOSSNQNRJBM-YJBOKZPZSA-N	313.181	1.931	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)C(=O)c1ccc(Cl)s1	833242670	MBTNNJAYPKAYHL-ZETCQYMHSA-N	316.766	1.301	50	20	DDGD	
CC(C)CN1C[C@@H](C(=O)NNc2cccc(C(=O)O)c2)CC1=O	833488308	MDCXXTHBRFWOBF-LBPRGKRZSA-N	319.361	1.332	50	20	DDGD	
CC(C)CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1	730577016	YJEBTAPTBBUEHD-AWEZNQCLSA-N	322.430	1.988	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)C#CC2CC2)o1	837366120	XUVODVLHINIHPN-UHFFFAOYSA-N	303.362	1.296	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCCOc3ccc(F)cc32)cc1	585019047	ZZRNZIQVCWMGQC-INIZCTEOSA-N	315.153	1.509	50	20	DDGD	
O=C(NNC(=O)c1ncon1)c1ccc(C2CCCC2)cc1	832825879	KECBOXAFBVVEMZ-UHFFFAOYSA-N	300.318	1.802	50	20	DDGD	
CC1(C)C[C@H](CNC(=O)NNC(=O)[C@H]2CCCCO2)CCO1	836676972	OVTHQTZZEDVBIC-VXGBXAGGSA-N	313.398	1.091	50	20	DDGD	
CN1[C@H]2CC[C@H]1CC(NC(=O)NNc1cc(Cl)ccn1)C2	836624269	DGGZSNJMRBJXDO-RYUDHWBXSA-N	309.801	1.986	50	20	DDGD	
CC[C@@](C)(CNC(=O)NNC(=O)COc1cccc(C)c1)OC	836192972	FORQXISETMSWGQ-INIZCTEOSA-N	323.393	1.519	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)COCC1CCCC1	836774681	VHEYHIIKZOIAGX-UHFFFAOYSA-N	304.390	1.892	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNCC(F)(F)C(F)(F)F	913163254	HTEKIMNOPIZYLE-YUMQZZPRSA-N	302.243	1.786	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ncccn1	841349832	AEWJKAHZELMFAM-FRRDWIJNSA-N	302.378	1.844	50	20	DDGD	
COc1ccc2c(c1)c(C(=O)NNC(=O)N(C)C)c(C)n2C	843778247	DNIDKRSUQZAEQV-UHFFFAOYSA-N	304.350	1.411	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCCCC(F)(F)F)c1	743589691	MBVKSLXUQUGCAD-UHFFFAOYSA-N	314.267	1.845	50	20	DDGD	
COC(=O)[C@H]1C[C@H](NS(=O)(=O)c2ccc(CCl)cc2)C1	917740640	JKXRXXPVJGSXDT-XYPYZODXSA-N	317.794	1.655	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1cccc(N2CCC2=O)c1	842562374	WPCBHBZKOMUFFK-DOMZBBRYSA-N	315.373	1.689	50	20	DDGD	
CCCCCOc1cc(C=NNC(=O)C(N)=O)ccc1OC	747042456	NWPSNPXCPOPOFQ-UHFFFAOYSA-N	307.350	1.200	50	20	DDGD	
COc1ccc(Cl)c(NC(=S)NNC(=O)N(C)C)c1	742990352	HOBGXDAWNWQHSX-UHFFFAOYSA-N	302.787	1.821	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=Cc2cc(C)nn2C)c1	841610729	RQEKIBKZPQEHIP-UHFFFAOYSA-N	302.334	1.510	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2c(c1)CCC=C2	843660528	WZGVJWFFGOVJRN-XHDPSFHLSA-N	300.358	1.832	50	20	DDGD	
COC(=O)/C=C\c1ccc(/C=C(\C#N)C(=O)N2CCCC2)o1	848639181	PVRXYWXZKLBWQO-WTVYDBEASA-N	300.314	1.995	50	20	DDGD	
Cn1nc(C2CC2)nc1CC(=O)NNc1cnc2ccccc2n1	843853762	JPDXINSUOXHMBN-UHFFFAOYSA-N	323.360	1.322	50	20	DDGD	
CC(C)=CCC[C@H](C)CC(=O)NNC(=O)N1CCN(C)CC1	844136746	JCMAUKXFDORIAX-AWEZNQCLSA-N	310.442	1.747	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccnn1CC(C)C	842526663	DDVLQOMOCKHDRW-UHFFFAOYSA-N	307.398	1.294	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CCCC[C@@H]1N1CCCCCC1	749810400	UJIITBDCKZUYNO-HNNXBMFYSA-N	322.453	1.802	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1	747345271	LQPATXNGCWABDF-AWEZNQCLSA-N	307.369	1.594	50	20	DDGD	
Cc1ccc(OCCCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	843644897	GXIMYJABGOWTDF-DZGCQCFKSA-N	320.389	1.726	50	20	DDGD	
Cc1cc(C)c(S(=O)(=O)NNC(=O)[C@@H]2CCO[C@H]2C)s1	842588713	DFXNIJRKDIPIPE-VHSXEESVSA-N	318.420	1.099	50	20	DDGD	
COc1ccc2c(c1)[C@@H](C(=O)NNC(=O)C(C)(C)O)CCC2	847857030	ZPQXHJXULCVNFF-LBPRGKRZSA-N	306.362	1.033	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@H](CO)[C@@H]1C	840564758	TWDLTTYMJMIKTB-WCQYABFASA-N	313.829	1.972	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)C[C@H]2CCOC2)cc1	740177876	XNVGJMYVYPPIIQ-LLVKDONJSA-N	322.434	1.497	50	20	DDGD	
Cc1nc2cccc(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)c2[nH]1	843970833	LXWXMFUGXKOPMX-SCZZXKLOSA-N	302.334	1.057	50	20	DDGD	
O=C(NNC(=O)c1ccn(-c2ccccc2)n1)c1cccnc1	915062822	JDBSJXMAXLLLHE-UHFFFAOYSA-N	307.313	1.342	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Cc1coc2cc(F)ccc12	748309628	PEKKVAPECJBZAW-UHFFFAOYSA-N	316.292	1.607	50	20	DDGD	
CCN(CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccccc1	843651710	OPRUMXNPFZNKAK-OCCSQVGLSA-N	305.378	1.085	50	20	DDGD	
CC[C@H](NC(=O)NNc1ncc(Br)cn1)C(F)F	848660027	ATYNSNWTPXRDFR-LURJTMIESA-N	324.129	1.909	50	20	DDGD	
O=C(NN=C1CCC[C@@H]2C[C@H]12)C1CCN(c2ncccn2)CC1	841624583	VDTCACPJULTKPS-KGLIPLIRSA-N	313.405	1.985	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc(F)c1Cl	843652742	KWJGLIHWUUYJGA-SFYZADRCSA-N	300.717	1.665	50	20	DDGD	
CN(C)c1nccc(NNC(=O)COc2ccc(F)cc2F)n1	740105138	YSTRNXGCUUEIJU-UHFFFAOYSA-N	323.303	1.343	50	20	DDGD	
CC(C)COc1cccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	843646322	KEZPKJAXTCYZBQ-WFASDCNBSA-N	320.389	1.907	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCCC1=NNC(=O)Cc1cccnc1	741464368	OVCWTKKXSXXWAM-CYBMUJFWSA-N	309.391	1.084	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@@H]2CCCCO2)ccc(F)c1F	841791291	SFKBWFIGFWDLJC-NSHDSACASA-N	313.304	1.995	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2cccc(C#N)c2)C[C@@H](C)S1	743587206	FPUPKWKSGSBAPB-PHIMTYICSA-N	318.402	1.738	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccc2c(c1)CCCC2=O	841252400	CTVSPTKYERKDSU-UHFFFAOYSA-N	304.350	1.097	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ncc(Br)cn1)[C@@H](C)N	848436242	KPCWRVPMZRTJRY-APPZFPTMSA-N	316.203	1.302	50	20	DDGD	
O=C(NNC(=O)c1csc(NC2CC2)n1)c1cccnc1	740748841	AJTGJGDWAPNEJM-UHFFFAOYSA-N	303.347	1.187	50	20	DDGD	
CO[C@H](C=NNC(=O)CNc1ccccc1F)[C@@H]1CCOC1	841605160	XFXQEEYAASJXCM-BXUZGUMPSA-N	309.341	1.391	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@]2(C(=O)O)CC=CCC2)n1	846708226	YOQSHCVGINPCBO-CQSZACIVSA-N	306.322	1.048	50	20	DDGD	
CCOCCOCCNC(=O)NNc1cc(F)c(F)c(F)c1	927532426	ZFTGXEAKHFNPLE-UHFFFAOYSA-N	321.299	1.783	50	20	DDGD	
O=C(CSC(F)F)NNC(=O)c1cc(Cl)ccc1O	920821322	XQUDKGVKYRVTNM-UHFFFAOYSA-N	310.709	1.762	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc2nc(OC)ccc2c1	756331465	WACYVNYZHJQBFO-UHFFFAOYSA-N	304.306	1.043	50	20	DDGD	
C[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)C[C@@H](C)C1(F)F	859414382	VWVPLYVTTMVEAJ-AOOOYVTPSA-N	305.369	1.403	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@H]2CCOC[C@H]2C)c1	858451646	WUBXEPMVXMLHSU-GHMZBOCLSA-N	311.407	1.673	50	20	DDGD	
C[S@@](=O)C1(CNC(=O)NNc2cc(F)ccc2F)CC1	922356230	JRMIGBUOUYZIGY-HXUWFJFHSA-N	303.334	1.502	50	20	DDGD	
CC(C)(C)n1ncc(C(=O)NNC(=O)CO)c1-c1ccccc1	754283084	FEMRFEBLXXZIFO-UHFFFAOYSA-N	316.361	1.058	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H]2C[C@H](C)Cc3c[nH]nc32)n1	857858278	LPFBXAKTKSZZGX-XCBNKYQSSA-N	320.784	1.971	50	20	DDGD	
COC(=O)N(C)CCNC(=O)NC[C@@]1(C)C[C@H]1Br	856869154	WDYLOOPKYRYDKW-LDYMZIIASA-N	322.203	1.157	50	20	DDGD	
CSSCCNC(=O)C[C@H](O)CNC(=O)OC(C)(C)C	868138368	KBIMVTCUPXTQJE-VIFPVBQESA-N	324.468	1.390	50	20	DDGD	
COCCCNC(=O)NN=C(C)Cc1ccc(OC)c(OC)c1	920833322	LSPYSOGMJXYENV-UHFFFAOYSA-N	323.393	1.958	50	20	DDGD	
CC[C@](C)(O)C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	929291957	XWTAGBUKAPRHSZ-WBMJQRKESA-N	308.378	1.379	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1	759082068	RJRMLJNBRVWPGT-UHFFFAOYSA-N	304.331	1.113	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)COc1ccccc1F)C1CC1	858130032	VMUIDNSALWLQAO-AWEZNQCLSA-N	310.325	1.167	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=CC2CCOCC2)c1	755646004	VVFIYGZEWXPVFS-UHFFFAOYSA-N	310.375	1.232	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1ccc2c(c1)COC2	757853390	JGGFDBXURXDNEW-UHFFFAOYSA-N	303.240	1.822	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)[C@H]1CCc2ncncc2C1	856094418	INDAAWFVJQJYJH-VIFPVBQESA-N	303.753	1.773	50	20	DDGD	
Cc1cc(C)n(CCC(=O)NNc2cc(Cl)nc(N)n2)n1	753454028	CACCMYSAVYIIOL-UHFFFAOYSA-N	309.761	1.059	50	20	DDGD	
N#CSCCCNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1	854362180	DZWRYBUXKOXGBJ-MRXNPFEDSA-N	319.430	1.344	50	20	DDGD	
COC(=O)COCCNC(=O)NNc1ccc(Cl)cc1F	923430131	FUXHTVOXKVWUAK-UHFFFAOYSA-N	319.720	1.295	50	20	DDGD	
O=C(NNC(=O)c1cnn(C2CC2)c1)c1ccc2c(c1)OCO2	858121652	KICIJCGDBPOMGD-UHFFFAOYSA-N	314.301	1.022	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@@H]1NC[C@@H](CBr)C1CC1	859279332	OVZSPXZLXPUKQT-UTUOFQBUSA-N	303.244	1.912	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNc1ncc(Cl)cn1	857355672	IJZJAJTWXJHCES-UHFFFAOYSA-N	315.761	1.488	50	20	DDGD	
COC(=O)NCCNC(=O)NNc1ccc(F)cc1Cl	922775697	MMAGWXWCBRNQCI-UHFFFAOYSA-N	304.709	1.461	50	20	DDGD	
O=C(NCCOC1CCCCCC1)NNC(=O)c1cn[nH]c1	858232507	ZMSQDIHCKFVITD-UHFFFAOYSA-N	309.370	1.093	50	20	DDGD	
CC[C@@H](CC(F)(F)F)NC(=O)NNC(=O)c1cccc(F)n1	852253907	FSQSBLHGOFWPKB-ZETCQYMHSA-N	322.262	1.896	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1coc(C(C)C)n1	853390368	VPICQTWOBKOACA-OCCSQVGLSA-N	320.393	1.501	50	20	DDGD	
CCCNC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1ccc(O)cc1	750666826	SFOIPRYVWHHFBN-NASPGAHYSA-N	302.330	1.757	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)C2CCC2)n2c1CCCC2	857207292	CSMXHLCFBXWMHD-UHFFFAOYSA-N	303.362	1.861	50	20	DDGD	
C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NNC(=O)[C@H]1CCC(=O)N1	858701308	VTHFNWQPAWGOBQ-GRYCIOLGSA-N	324.425	1.152	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2ccnc(O[C@H]3CCOC3)c2)c1	755565627	QXRJZWNQWSZJAK-HNNXBMFYSA-N	324.340	1.878	50	20	DDGD	
COCc1ncc(C(=O)NNc2ncc(F)cc2F)s1	857533930	RUDNNTOPLNJTSK-UHFFFAOYSA-N	300.290	1.720	50	20	DDGD	
N#CCCCNC(=O)NNC(=O)CCSc1ccc(F)cc1	753265237	XCNHPUMQWYSGGC-UHFFFAOYSA-N	324.381	1.942	50	20	DDGD	
CCN(CC)CCSCC(=O)NN[C@H](C)C(F)(F)F	862314219	XXTBETXVUIHMQG-SECBINFHSA-N	301.378	1.633	50	20	DDGD	
O=C(CCN1CCOCC1)NNc1cccc(F)c1Cl	862508902	CQPSFXAKYLBJAJ-UHFFFAOYSA-N	301.749	1.645	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc2c(C)cccn2c1	935198189	KAJCGCSNWQVKRN-UHFFFAOYSA-N	322.459	1.720	50	20	DDGD	
Cc1nnc(O)c(C(=O)NNc2ccc([N+](=O)[O-])cc2)c1C	768247926	ZUPJXSRCXKMWCL-UHFFFAOYSA-N	303.278	1.464	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CC(=O)NNc1nc2ccccc2[nH]1	768494870	GWHIARPOIIXNEF-UHFFFAOYSA-N	315.293	1.119	50	20	DDGD	
O=C(Cn1nnc(-c2ccccc2)n1)NN=C1CC(C(F)F)C1	766011267	YATIIYLBACALHL-UHFFFAOYSA-N	320.303	1.487	50	20	DDGD	
COc1cc(NCc2ccc(B(O)O)cc2)cc(OC)c1Cl	864038897	DLDRNMOLBFGPCH-UHFFFAOYSA-N	321.569	1.649	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H](C)c2ccc[nH]2)cc1	760875744	YPMOXNCFZBAKIH-LBPRGKRZSA-N	316.361	1.794	50	20	DDGD	
Cc1cc(=NNC(=O)CSCC(=O)N2CCCCC2)cc[nH]1	862509692	QYQILSMBCCDYTJ-UHFFFAOYSA-N	322.434	1.001	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNc3cccc(C)n3)(CC1)C2	862521044	PGUDUSULWJLJTO-UHFFFAOYSA-N	303.362	1.957	50	20	DDGD	
COc1cc(Br)cc(C(=O)NNC(=O)N(C)C)c1	931118757	IQIDQBPYPWYXDW-UHFFFAOYSA-N	316.155	1.374	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=C2CCSc3ccc(Cl)cc32)N1	863146592	XKOHEHOKYGVCPQ-NSHDSACASA-N	323.805	1.935	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1cc2ncccn2n1	868340530	XOAOETDTUMKMJZ-UHFFFAOYSA-N	309.333	1.544	50	20	DDGD	
Cc1ccc(-c2nc(C=NNC(=O)[C@@H]3CCC(=O)N3)co2)cc1	863147970	PVGFYRQCPYFNLW-ZDUSSCGKSA-N	312.329	1.379	50	20	DDGD	
CN1CC[C@H](C(=O)N(C)NC(=O)OCc2ccccc2)CC1=O	862287136	NYHQYBVBLHUTPB-ZDUSSCGKSA-N	319.361	1.155	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2ccccc2OC(F)(F)F)N1	863146594	XMSZYYLUWVAPKQ-SECBINFHSA-N	315.251	1.314	50	20	DDGD	
N#CC1=CCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)CC1	767160196	NTBQZJIWGUNAHI-UHFFFAOYSA-N	323.352	1.745	50	20	DDGD	
CC(C)O[C@@H]1CC(=NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1(C)C	764905261	KCNJTROOZQTBQM-ZYHUDNBSSA-N	316.423	1.117	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2csc(C(F)(F)F)c2)N1	863151630	PSTBUUYAFIGZDL-SSDOTTSWSA-N	305.281	1.496	50	20	DDGD	
Cc1nn2c(C=NNC(=O)NCc3ccco3)c(C)nc2s1	765573114	WXXGKKQPESMWSR-UHFFFAOYSA-N	318.362	1.834	50	20	DDGD	
Cc1cc(C)c2c(c1)C(=NNC(=O)C(=O)NC1CC1)CCCO2	763152847	HYRVOMUBSDZTBQ-UHFFFAOYSA-N	315.373	1.575	50	20	DDGD	
C[C@H]1C[C@@H](N)CN1S(=O)(=O)c1ccc(CCCCl)cc1	866792487	CWYQHUZMNQDZCW-WCQYABFASA-N	316.854	1.968	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCCOC[C@@H]1CCCO1	866792782	ANHJGNSUKBYBSC-NSHDSACASA-N	313.847	1.366	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CCc1c(C)ncnc1O	1115840076	ULKYEZPGMFJRHL-UHFFFAOYSA-N	314.345	1.193	50	20	DDGD	
Cn1cc(C(=O)NNc2nc3ccccc3[nH]2)c(C(F)F)n1	768494279	GACDENIRRSRLJB-UHFFFAOYSA-N	306.276	1.991	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](C)[C@@H](OC)c1ccccc1F	875462229	IZCJPKNWKOABTN-JOYOIKCWSA-N	313.329	1.814	50	20	DDGD	
CCc1noc2ncc(C(=O)NNC(=S)NC(C)C)cc12	1115873469	DRYWXQLYJZRKAI-UHFFFAOYSA-N	307.379	1.303	50	20	DDGD	
COCCCOCC(=O)NNc1ccc(Br)nc1	776232740	ZRZLIBNRORMNJK-UHFFFAOYSA-N	318.171	1.340	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1cscc1Cl	873804822	PLPNGSNJYYHJOL-UHFFFAOYSA-N	319.770	1.896	50	20	DDGD	
CCOC(=O)c1n[nH]cc1/C=C(\C#N)c1ccc([N+](=O)[O-])cn1	1117693031	RGKQXQIDDSAGSJ-WEVVVXLNSA-N	313.273	1.954	50	20	DDGD	
C=C[C@](C)(O)C(=O)NNC(=S)Nc1c(C)cccc1CC	873852966	HEJSFRLAABWVHO-HNNXBMFYSA-N	307.419	1.812	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)c2nc3ccccc3s2)CO1	874913541	FCMCLBZDKXLEOQ-DTWKUNHWSA-N	305.359	1.482	50	20	DDGD	
C[S@@](=O)c1ccc(NC(=O)NNC(=O)CC(F)(F)F)cc1	1116567287	CMWIXCNMURIOPY-OAQYLSRUSA-N	323.296	1.529	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)[C@@H]1CC1(Cl)Cl	874957019	XNOVYGUXRVXOTK-LURJTMIESA-N	305.190	1.593	50	20	DDGD	
CCC[C@H](CC)NC(=O)NNc1nc(O)c2cnn(C)c2n1	770363883	LVWZEJFQRROGEC-QMMMGPOBSA-N	307.358	1.274	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccccc1N1CCCCC1	779822158	ARHXYAQZUCIXFS-UHFFFAOYSA-N	318.377	1.483	50	20	DDGD	
CC1CCC(=CC(=O)NNc2nc(O)c3cnn(C)c3n2)CC1	770990879	PIMNVSRMZZNWSA-UHFFFAOYSA-N	316.365	1.649	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCCc1nncn1C	1117737040	FZTKXAYVJPVDKY-UHFFFAOYSA-N	324.816	1.230	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NN=Cc1cn(C)nn1	773093945	PAKZCPYTHNKOPA-SECBINFHSA-N	307.741	1.386	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)C1(O)CCCC1	771535517	RYTGAIJQOCBFFO-UHFFFAOYSA-N	300.156	1.592	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNc2nc3ccccc3c(=O)n2C)C1	776476757	NRRZVWQHHRMPIP-WDEREUQCSA-N	300.362	1.813	50	20	DDGD	
O=C(CCn1cnc2ccccc21)NNC(=O)C1CCOCC1	883060832	YZTVKHRZARCTJT-UHFFFAOYSA-N	316.361	1.000	50	20	DDGD	
Cn1cc(C(=O)NN=C2CCN(CCC(F)(F)F)CC2)cn1	779770888	CNTXPAOVGBMKEA-UHFFFAOYSA-N	317.315	1.554	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1cc(F)c(F)c(F)c1)[C@@H]1CCCO1	776225729	QNGRASNZYQVLOQ-NEPJUHHUSA-N	313.279	1.911	50	20	DDGD	
CN(CC(=O)NNc1cnc2ccccc2n1)[C@H]1CCSC1	774776045	PRSSBGJJEQPMKR-NSHDSACASA-N	317.418	1.510	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1ccc2c(c1)CCCO2	887150420	JYLMQVQOZDSBSL-UHFFFAOYSA-N	300.358	1.505	50	20	DDGD	
O=S(=O)(CCCCl)NCc1ccn(-c2ccccc2)n1	881796899	LMPOUBZHVMONKE-UHFFFAOYSA-N	313.810	1.921	50	20	DDGD	
C=C1CCC(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)CC1	887761941	IZWCSXSPFSBDFG-CYBMUJFWSA-N	300.424	1.225	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@]1(OC)CCSC1)c1ccccc1	888907574	PGOXHOODKNOZPD-CJNGLKHVSA-N	322.430	1.850	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](C)NC(=O)CC1CCCCC1	887143302	SZKKWAMJGFYYKR-CYBMUJFWSA-N	321.421	1.412	50	20	DDGD	
C[C@H]1CC[C@H](NC(=O)NNc2ccc(-n3cccn3)nn2)C1	780799578	HZDLPUNDTPISEW-QWRGUYRKSA-N	301.354	1.477	50	20	DDGD	
CCc1onc(C)c1NC(=O)C(=O)NNc1ncccc1Cl	784816154	LUCFPXCOZITVSY-UHFFFAOYSA-N	323.740	1.676	50	20	DDGD	
Cn1cc(-c2n[nH]cc2C(=O)NNc2nccnc2Cl)cn1	781932701	WALBYKYJPUQIDJ-UHFFFAOYSA-N	318.728	1.011	50	20	DDGD	
Cn1cccc1C(=O)NN=C1CCOC[C@@H]1CN1CCCCC1	787151531	FVVAXSFPAZCJCG-AWEZNQCLSA-N	318.421	1.633	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N1CC[C@@H](CF)C1	883416564	YBKTZVJRQMCCBO-NSHDSACASA-N	319.340	1.289	50	20	DDGD	
C[C@H](OCc1ccc(F)cc1)C(=O)NNC(=O)C1CCOCC1	883070926	JFCVBTXFWDBVDS-NSHDSACASA-N	324.352	1.305	50	20	DDGD	
C[C@H](OC[C@H]1CCCO1)C(=O)NNc1ncncc1Cl	781825689	OZEIIKGCGOENMI-DTWKUNHWSA-N	300.746	1.157	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](c1ccccc1)N(C)CC	887143300	SZBZREZETPSHOZ-INIZCTEOSA-N	301.390	1.630	50	20	DDGD	
O=C(NN=C[C@@H]1CCSC1)c1nnc(O)c2ccccc12	782151668	IBXNJOMGUGCYPD-VIFPVBQESA-N	302.359	1.804	50	20	DDGD	
Cc1cccc(C[C@H](CO)NS(=O)(=O)CCCCCl)c1	786136970	XDSWPZOSEKNYPJ-CQSZACIVSA-N	319.854	1.837	50	20	DDGD	
Cn1ccc(N2CCC[C@@H](OC(=O)/C(C#N)=C\C3CC3)C2=O)n1	786677989	MKXHIFSEHIVAJF-KIWPFMIBSA-N	314.345	1.319	50	20	DDGD	
CC(=O)Nc1ccc(C)c(C(=O)NNC(=O)c2ccccn2)c1	780144594	DLEIJICSPSSLQW-UHFFFAOYSA-N	312.329	1.423	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OC[C@@H]1CCS(=O)(=O)C1	788947827	AEOMAZIAQZGXQR-ALFJJAPYSA-N	321.354	1.277	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ncncc2Cl)c(F)c1	781829021	GVOKJOCBJCQHPM-UHFFFAOYSA-N	324.699	1.813	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN[C@@H](C)c2cccnc2)cc1	781170840	BHAQMWYZXWVVQW-ZDUSSCGKSA-N	312.373	1.502	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)NCC#CCO	896146671	VOCAQYTVUGWARG-UHFFFAOYSA-N	312.167	1.379	50	20	DDGD	
CO[C@]1(C(=O)NNC(=O)c2ccc(Cl)nc2)CCSC1	895752800	LUFPOYSFBNAMRQ-GFCCVEGCSA-N	315.782	1.018	50	20	DDGD	
N#C/C(=C/c1ccc2c(c1)CCCO2)S(=O)(=O)NC1CC1	899368264	GVNLOBNTJMKXAA-ZROIWOOFSA-N	304.371	1.958	50	20	DDGD	
COC1(C=NNC(=O)c2ccc(-n3cnnn3)cc2)CCCC1	790151516	KZPVCHYVICMENJ-UHFFFAOYSA-N	314.349	1.337	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1n[nH]c2c1C[C@H](C)CC2	895512748	RSNYIMQBXUYZKX-SNVBAGLBSA-N	312.373	1.918	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=C1CC(=O)N2CCCC[C@H]12	799473965	SEXONTXLASQFDZ-UKRRQHHQSA-N	320.437	1.365	50	20	DDGD	
CCN(CCC(=O)NC)C(=O)NC[C@@]1(C)C[C@H]1Br	895922537	KAUDRBWGXSHRTH-BXKDBHETSA-N	320.231	1.328	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1cnc(CC(C)C)nc1	791951406	GWOMQPOROSIAPP-UHFFFAOYSA-N	317.353	1.173	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCOC1)c1cc(C(=O)O)c(C)nc1C	792649846	BHNJHIZQBVJKTO-NSHDSACASA-N	305.334	1.273	50	20	DDGD	
O=C(NNc1nccnc1Cl)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53	795104929	ZHRFGFFUCDBBQU-KDIHQZMCSA-N	316.792	1.967	50	20	DDGD	
C=C(CBr)COC(=O)c1cc([N+](=O)[O-])cnc1N	795578899	NSFTWXKRZNHOSZ-UHFFFAOYSA-N	316.111	1.680	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)c3cccnc3)cc2n1C	792776132	GNLDBAUKUNDZOP-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
N#Cc1ccc(NNC(=O)CCc2ccccc2C(N)=O)cc1	792260405	XGAKAXCEIPIBEH-UHFFFAOYSA-N	308.341	1.733	50	20	DDGD	
O=C(Cc1ccc2n[nH]cc2c1)NNC(=O)NCc1ccco1	793201022	GHNQACPPNQMJRQ-UHFFFAOYSA-N	313.317	1.229	50	20	DDGD	
O=C(CC1OCCO1)NNc1cccc(Br)c1	793704023	AIZXGUHZWBFTPP-UHFFFAOYSA-N	301.140	1.655	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H]1Cc2ccc(F)cc21)C1CC1	798127364	IPTSXGUCUHDLLD-SDBXPKJASA-N	307.394	1.759	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NNc1ccc(Cl)c(OC)c1	790165827	HEDINTMUJXZGIJ-UHFFFAOYSA-N	320.798	1.617	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCNc1ccc(C#N)cn1	791018170	NXHDCRUCXNFORC-UHFFFAOYSA-N	311.349	1.395	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)c1c(C)nc2ccccn12	792853972	IBLUYJIUHLJIES-IINYFYTJSA-N	318.377	1.465	50	20	DDGD	
CCC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1cccc(C)c1	794901662	NRFBHWYWUDTFOE-ZDUSSCGKSA-N	323.418	1.595	50	20	DDGD	
Cc1noc(-c2ccc(C(=O)NNC(=O)C3CCCC3)cc2)n1	1318479303	SSBPPDQDHWLJBF-UHFFFAOYSA-N	314.345	1.996	50	20	DDGD	
COC[C@H](O)CCNS(=O)(=O)c1ccc(CCl)cc1	394038827	NZWBUSGSECHPBV-LLVKDONJSA-N	307.799	1.101	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccccc1Cl)[C@H]1CCCNC1	1326132579	KXSKFIVJVJKSKM-MNOVXSKESA-N	324.812	1.672	50	20	DDGD	
C[C@@H]1C(=NNC(=O)C[n+]2ccccc2)CC[C@H](C(=O)O)C1(C)C	1324914907	VEIIFKGBQZLZAV-CHWSQXEVSA-O	318.397	1.603	50	20	DDGD	
CC[C@@H]1C[C@H]1NC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1329537498	AHOMUCGZJUDVBE-MFYTUXHUSA-N	303.200	1.191	50	20	DDGD	
Cn1ccc(NNC(=O)CSCc2ccc(C#N)cc2)n1	1321105442	OHGVRJWOJIIUPV-UHFFFAOYSA-N	301.375	1.668	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1	1330885018	CJUPPXVJMFFDHY-BIMULSAOSA-N	302.330	1.071	50	20	DDGD	
COC(=O)C1CN(C(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)C1	1339294742	SHGPBOXVGMASAP-IYYTYJHQSA-N	316.195	1.572	50	20	DDGD	
C[C@]1(CNC(=O)C[C@@H]2C=CS(=O)(=O)C2)C[C@H]1Br	1331204655	YISSOSFBGFKXKO-IQJOONFLSA-N	322.224	1.225	50	20	DDGD	
COCC#CC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	1333766943	PZKVLYBABVDNGO-UHFFFAOYSA-N	304.390	1.390	50	20	DDGD	
Cc1nc(N)sc1C(=O)NC[C@@]1(C)C[C@@H]1Br	1334668099	HGLMYBBWODEDOY-QUBYGPBYSA-N	304.213	1.937	50	20	DDGD	
CO[C@H]1CCC[C@H]1C(=O)NNC(=O)c1cccc2ncccc12	1262607452	ASAJMZJKMWSMSN-HIFRSBDPSA-N	313.357	1.811	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(C(F)(F)F)n(C)n1	1348579627	CJXMHFYSIKBWAI-UHFFFAOYSA-N	307.276	1.183	50	20	DDGD	
CC(=NNC(=O)CCN1CCC(C)CC1)c1ccc(O)nn1	1343544069	NVJWZIPYOYAGAR-UHFFFAOYSA-N	305.382	1.144	50	20	DDGD	
COc1cccc(NNC(=O)c2ncoc2[C@@H]2CCCO2)n1	1342028889	JACWXPKALJBHSI-VIFPVBQESA-N	304.306	1.687	50	20	DDGD	
COC1(OC)CC(NC(=O)NC[C@]2(C)C[C@H]2Br)C1	1351220942	CSQSKKGWNMDYLM-KOLCDFICSA-N	321.215	1.611	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@]12CC[C@H](CC1=O)C2(C)C	1350831653	RIVHBHIPTAZERA-PSLIRLAXSA-N	311.451	1.676	50	20	DDGD	
C[C@@H]1CCCN1c1nnnn1C[C@]1(C)C[C@@H]1Br	1355982602	AXTLAOLBIHMGTC-YWVKMMECSA-N	300.204	1.835	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)N[C@H](C)C2CC2)cc1C	1528592823	RGCDXTCJCWZCGV-SNVBAGLBSA-N	307.419	1.911	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2ccoc2C(=O)O)CC1	1604752482	VVQGLBPGWXMMFK-UHFFFAOYSA-N	307.350	1.550	50	20	DDGD	
O=C(/C=C\c1ccc(C(=O)O)o1)NNC(=O)CC(F)(F)F	1605660035	RNOSVRCWQALVBC-RQOWECAXSA-N	306.196	1.091	50	20	DDGD	
Cn1c(C=NNC(=O)CNc2ccccc2F)ccc1C(=O)O	1608087624	PVLXGLIJDBDGKQ-UHFFFAOYSA-N	318.308	1.425	50	20	DDGD	
Cc1ccc(C(=O)O)cc1NC(=O)NNC(=O)c1ccc[nH]1	1607743286	GZRGMMPCDZAODV-UHFFFAOYSA-N	302.290	1.488	50	20	DDGD	
CCc1oc(C(=O)O)cc1S(=O)(=O)N1CC=C(C#N)CC1	1605883754	MXGDIGXSRYGGQM-UHFFFAOYSA-N	310.331	1.385	50	20	DDGD	
O=C(NNc1ncccn1)Nc1ccc([C@@H]2C[C@H]2C(=O)O)cc1	1601561934	JPDKFTWLIYSIKJ-NWDGAFQWSA-N	313.317	1.813	50	20	DDGD	
COc1ccc(C=NNC(=O)OC(C)C)cc1-c1nn[nH]n1	1609353805	SYSWFGXUZQDJGD-UHFFFAOYSA-N	304.310	1.344	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCC2(C(=O)O)CCCC2)cn1	1610601324	KOYKHRGRFHDOTP-WUXMJOGZSA-N	302.334	1.088	50	20	DDGD	
CNC(=O)CCCC(=O)NNc1ccc(C(=O)O)c(Cl)c1	1610138774	FNTMGYKBTSNCEY-UHFFFAOYSA-N	313.741	1.398	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccc(OCC(=O)O)cc2)cc1	1610628662	AWUDAKIPLXXMKX-UHFFFAOYSA-N	311.297	1.779	50	20	DDGD	
Cc1[nH]c(C(=O)O)c(C)c1C(=O)NNc1cccc([N+](=O)[O-])c1	1610403850	LMERSKQOJWLETM-UHFFFAOYSA-N	318.289	1.995	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc(C(=O)O)cc2F)n1	1610369960	QKCIAKDYLLGCQE-UHFFFAOYSA-N	321.268	1.471	50	20	DDGD	
Cn1cc([C@H]2OCCC[C@H]2C=NNC(=O)c2cc[nH]n2)cn1	1552454052	VGAHDDYYAPNIEI-GWCFXTLKSA-N	302.338	1.027	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1NCCC1(C)C	1576295357	LZNAVYOCBAGRMY-ZWNOBZJWSA-N	323.368	1.129	50	20	DDGD	
CCCNNC(=O)CNC(=O)c1cnc(Cl)c(Cl)c1	1577574548	FTMWONSFVBUBFB-UHFFFAOYSA-N	305.165	1.149	50	20	DDGD	
C=C(C)C[C@@H](NC(C)=O)C(=O)NNc1cccc(F)c1C(=O)O	1588548713	XLXXUIXFASWPGB-GFCCVEGCSA-N	323.324	1.438	50	20	DDGD	
C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)C(C)(C)CCl)C1	1841227331	FHIAXTKFHSHMKJ-SNVBAGLBSA-N	318.870	1.773	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C/c1ccc(-c2nn[nH]n2)c(OC)c1	1590845522	OWVQPEHLNCFLCB-UXBLZVDNSA-N	319.346	1.174	50	20	DDGD	
Cc1cccc(NNC(=O)c2cscc2-c2nn[nH]n2)c1	1592235470	NCXXXFXVAKUWSP-UHFFFAOYSA-N	300.347	1.994	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@H](Cc1ccccc1)C(=O)O	1596862083	GCTDLRCEQBRYJE-UROBUVALSA-N	302.330	1.490	50	20	DDGD	
C[C@@H](Cc1ccc(NC(=O)NNc2ccncn2)cc1)C(=O)O	1592872432	LNDMLSNTJGDSGM-JTQLQIEISA-N	315.333	1.888	50	20	DDGD	
Cc1c(C(=O)O)cc(C=NNC(=O)NCc2ccco2)n1C	1599984584	RVSNCCBQLTXGBK-UHFFFAOYSA-N	304.306	1.458	50	20	DDGD	
O=C(CC1CC1)NN=C1CCCc2cc(-c3nn[nH]n3)ccc21	1592813630	QLVACLACWNVHHE-UHFFFAOYSA-N	310.361	1.823	50	20	DDGD	
O=C(CCCc1nccs1)NNc1ncccc1C(=O)O	1594686845	OOCWPGOQROWQKY-UHFFFAOYSA-N	306.347	1.702	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCO[C@H](C(=O)O)C1	1594601665	PJRBIVTYFDKETG-HJTPGIPUSA-N	304.277	1.045	50	20	DDGD	
N#C/C(=C\c1ccc(C(=O)O)cc1[N+](=O)[O-])C(=O)N1CCCC1	1776122576	DDXYOQKJXIUYJO-KPKJPENVSA-N	315.285	1.822	50	20	DDGD	
O=C(NN=C1C[C@H]2COC[C@@H]2C1)Nc1ccc(C(=O)O)cc1	1776046833	KJYZCFRUDIQZEE-QWRGUYRKSA-N	303.318	1.919	50	20	DDGD	
C[S@@](=O)Cc1cccc(C(=O)NNC(=O)c2ccccn2)c1	14049355	WDYXFMAUOYNIOK-QFIPXVFZSA-N	317.370	1.035	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1	15926381	FZCYQZQFOIKPLO-UHFFFAOYSA-N	322.368	1.885	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1	162235313	NWKHEXAZGAHNFZ-SECBINFHSA-N	306.149	1.329	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@H](c1cccc(OC)c1)N(C)C	158668195	CJQUXHPHGNTUKG-OBEJXRGXSA-N	317.389	1.858	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@H](C(C)C)N(C)C)n1	163908162	WNGLNQDHLMIFHF-ZDUSSCGKSA-N	308.430	1.352	50	20	DDGD	
C/C=C(\C=C\C(=O)NNC(=O)[C@H]1COc2ccccc2O1)CC	151864293	CQQWDHVHWFUPFO-QXEKCPQBSA-N	316.357	1.886	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)[nH]n1	153195839	IYEWXGMBCHIJNF-WDEREUQCSA-N	320.299	1.561	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)c1ccc2ccccc2n1)N(C)C	155074014	VZJWEJVAPTUMPM-OAHLLOKOSA-N	314.389	1.582	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H](C)CN2CCCCC2)nc1	157500677	YGUCWSKAIHPYHJ-GFCCVEGCSA-N	307.398	1.591	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc(-c2nccs2)cc1	155586629	NVDOKNKXXOJNSI-UHFFFAOYSA-N	319.390	1.524	50	20	DDGD	
O=C(CCn1ccc2ccccc21)NNc1ncnc2nc[nH]c12	156244898	IPJXQNOATVMKFZ-UHFFFAOYSA-N	321.344	1.841	50	20	DDGD	
CC(C)c1csc(CNC(=O)NNC(=O)c2cnn(C)c2)n1	154187769	VWAQFBKFKYIYAR-UHFFFAOYSA-N	322.394	1.144	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCOC1)c1cc(-c2ccc(F)cc2)n[nH]1	154310169	DODRQDCQFKTKRJ-SNVBAGLBSA-N	318.308	1.013	50	20	DDGD	
O=C(NNc1cccc(F)c1)[C@@H]1CCCN(C(=O)C2CC2)C1	154654449	ZTBROMHGOLRJBN-GFCCVEGCSA-N	305.353	1.917	50	20	DDGD	
N#CCCN1CCN(C[C@H](CBr)C2CC2)CC1	859210972	FAZXDGQNZNYNLQ-ZDUSSCGKSA-N	300.244	1.939	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NC[C@@]1(C)C[C@@H]1Br	856951517	XKQOCRJFFRLYHS-WRWORJQWSA-N	322.203	1.899	50	20	DDGD	
Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)o1	3439850	GGMSJANHMAYIRJ-UHFFFAOYSA-N	302.286	1.206	50	20	DDGD	
Cc1nn(-c2ccccc2)cc1C(=O)NNC(=O)NC(C)C	102342722	PRLGTQMKPWMTRQ-UHFFFAOYSA-N	301.350	1.533	50	20	DDGD	
CC[S@@](=O)c1ccccc1C(=O)NNC(=O)OC(C)(C)C	178257968	YYSFWXVCPFFCTG-OAQYLSRUSA-N	312.391	1.984	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCc2cccnc2)n1	175238805	FFLAZMWCHHKDQV-UHFFFAOYSA-N	302.338	1.057	50	20	DDGD	
CSc1ncc(Cl)c(C(=O)NNC(=S)NC(C)C)n1	25597628	NWASXACOILJVFJ-UHFFFAOYSA-N	319.843	1.369	50	20	DDGD	
CCOC(=O)[C@@H](C)NC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	112878502	XERQRXMGUXPAJX-YRVKEHPISA-N	314.345	1.180	50	20	DDGD	
CCOc1ncc(C(=O)NNc2cc(C)ncn2)cc1Cl	172274472	HANWAPHEOHKISV-UHFFFAOYSA-N	307.741	1.989	50	20	DDGD	
C[C@H](NC(=O)c1ccoc1)C(=O)NNc1c(F)cccc1F	118514624	UFAUEQBGPOAMKT-QMMMGPOBSA-N	309.272	1.819	50	20	DDGD	
COC[C@@H](C)CNC(=O)NNC(=O)CCCc1ccccc1	170883171	BUFBTVVGNGHUNO-ZDUSSCGKSA-N	307.394	1.622	50	20	DDGD	
Cc1cc(C)c(S(=O)(=O)NNC(=O)NCC2CC2)c(C)c1	64940359	ZXTBYORKSIDBEO-UHFFFAOYSA-N	311.407	1.514	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNC(=O)c2ccc(C#N)cc2)cn1	61463032	FNUKAMCSXXGGCR-UHFFFAOYSA-N	311.345	1.585	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC1(c2cccc(F)c2)CC1	120942580	GTSCURYHWAAQOE-UHFFFAOYSA-N	309.341	1.224	50	20	DDGD	
CN1C(=O)CCc2cc(C(=O)NNc3ncc(F)cn3)ccc21	122769562	UEMCNVZVXMBRPK-UHFFFAOYSA-N	315.308	1.282	50	20	DDGD	
CCCc1cc(NC(=O)C(=O)NNc2ccc(F)cc2)n(C)n1	181337045	BLQPYBDTPSNPIV-UHFFFAOYSA-N	319.340	1.594	50	20	DDGD	
CC(=O)N[C@@H](CC(=O)NNc1cccnn1)c1ccc(C)cc1	77028851	BEBYXFQPEZPJAY-AWEZNQCLSA-N	313.361	1.496	50	20	DDGD	
C=CCCC(=O)NNC(=O)[C@H](C)Oc1ccc(OCC)cc1	72080274	AONLUEZQHCFISO-LBPRGKRZSA-N	306.362	1.966	50	20	DDGD	
CCc1c(C(=O)NNC(=O)N(C)C)cnn1-c1ccccc1C	185078135	BFNVPABTSPOZDW-UHFFFAOYSA-N	315.377	1.659	50	20	DDGD	
COC(=O)c1cccc(CC(=O)NNC(=O)c2ccccc2)c1	121756120	DMZQVQHNVVMVGM-UHFFFAOYSA-N	312.325	1.477	50	20	DDGD	
COCc1ccccc1NC(=O)NNC(=O)c1cccn1C	183837770	BNJRMSHOTLFOJI-UHFFFAOYSA-N	302.334	1.638	50	20	DDGD	
O=C(CCn1cncn1)NNc1ccc([N+](=O)[O-])cc1Cl	125743051	ZICAGPIQOAISJR-UHFFFAOYSA-N	310.701	1.373	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)NCC2(C3CC3)CC2)c1	181702647	SODJZWAJKDFJDB-UHFFFAOYSA-N	323.418	1.906	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)o1	36624561	UYOJSDLOEDNBEB-JTQLQIEISA-N	306.293	1.956	50	20	DDGD	
C[C@](O)(CCNC(=O)NNc1cccnn1)c1ccccc1	188823710	RUHKDFBJKVDYOV-HNNXBMFYSA-N	301.350	1.401	50	20	DDGD	
CO[C@@]1(C)C[C@H](NC(=O)NNc2nc3ccccn3n2)C1(C)C	189394858	UXGRGHPXUJEQHH-BONVTDFDSA-N	318.381	1.559	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN(C)CCC(C)C)n1	77211734	WNQGRSLFEPVYFY-UHFFFAOYSA-N	312.439	1.119	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCn2cncc2C1)c1c[nH]c2ccccc12	135927025	FOEMLTZQJCWWGW-LLVKDONJSA-N	323.356	1.388	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(C(F)(F)F)cn2)nn1	131792485	XIEKZXPQGHGASY-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccccc1OC(F)F	195443488	JQXBBMFNSUQZAV-MRVPVSSYSA-N	322.333	1.644	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2ccc(Cl)cc2)n(C)n1	131191388	ZVOIMRCXSAFBKE-UHFFFAOYSA-N	321.768	1.718	50	20	DDGD	
O=C(Cc1ccc2c(c1)OCO2)NNC(=O)CC1CCCC1	195205912	IAOQMQZDMDLBHB-UHFFFAOYSA-N	304.346	1.686	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2c(F)cccc2F)nc(C)n1	130439463	BHDROUCNGPTIDK-UHFFFAOYSA-N	321.287	1.453	50	20	DDGD	
COC(=O)CCN(CCI)CC(C)C	190846804	XKAHTYZUQKTRCV-UHFFFAOYSA-N	313.179	1.943	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CC[C@H]1CCCO1	46317347	ABYGJBIGWITUQL-WCQYABFASA-N	324.352	1.700	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@H](CCO)CC(C)C)o1	85415899	CZKXUVHTTUBOAF-LBPRGKRZSA-N	311.382	1.577	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(Br)cc1)n1cncn1	194150040	CWLUHGNMNWMQAD-MRVPVSSYSA-N	310.155	1.745	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1C[C@H]1C1CC1	246371443	AEXCEDSANCCKRV-ZMLRMANQSA-N	306.337	1.787	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cn(C)nc1-c1cccnc1	255555399	XRNYCFDRMUUBQR-JYRVWZFOSA-N	311.345	1.152	50	20	DDGD	
Cc1ccc(C=NNC(=O)CNC(=O)c2cccs2)cc1	254813343	HMIVPNWIKIJIDS-UHFFFAOYSA-N	301.371	1.937	50	20	DDGD	
CCCCS[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccccn1	268244906	HTGCRAGQXDOKRJ-JTQLQIEISA-N	324.406	1.089	50	20	DDGD	
O=C(Cc1csc(-c2ccoc2)n1)NNC(=O)NC1CC1	265598248	BSQQKVAQDCFVGC-UHFFFAOYSA-N	306.347	1.438	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(C(=O)OC)cc1N(C)C	276755229	YVPBLELYVQDVBT-ZRDIBKRKSA-N	317.345	1.922	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N2CC[C@H](c3ccco3)C2)cc1	365231880	ZYFRNMNWWAEKCA-AWEZNQCLSA-N	324.340	1.995	50	20	DDGD	
C[C@H](NC(=O)NNc1nc2ccccn2n1)C1=CCN(C)CC1	276787100	INBNLJPMANGWGK-NSHDSACASA-N	315.381	1.006	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccnc(OCC(F)F)c1	272667626	JNSYZQUQARNQMI-UHFFFAOYSA-N	302.281	1.032	50	20	DDGD	
O=C1CCSc2ccc(C(=O)NNc3cccnn3)cc2N1	363554602	IZKRJCXXKILZEI-UHFFFAOYSA-N	315.358	1.668	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1ccc2[nH]ccc2c1	274198499	GHYLZWCEBXTYFZ-UHFFFAOYSA-N	318.333	1.662	50	20	DDGD	
COCCCNC(=O)NNC(=O)C1(c2cccnc2)CCCC1	368259657	LECVJWFLVMKWFP-UHFFFAOYSA-N	320.393	1.260	50	20	DDGD	
COC(C)(C)CC(=O)NNC(=O)COc1cc(C)cc(C)c1	278821758	PPDRHAZZQOXUPN-UHFFFAOYSA-N	308.378	1.645	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@@H]2COCCN2C2CCCC2)c1	376888619	QLCOAKCDABOEQV-AWEZNQCLSA-N	304.394	1.477	50	20	DDGD	
COCCOc1ccc(CC(=O)NNc2cccnn2)cc1	277350363	NVQOAXRLSJQVOL-UHFFFAOYSA-N	302.334	1.188	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H]1C(=O)NNc1ccc(C#N)c(Cl)c1	286007913	HZMMEAZLZYRFDX-QWRGUYRKSA-N	307.737	1.854	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1ccc(O)cc1O	286872289	DKKATCQNFHKXQK-UHFFFAOYSA-N	300.318	1.912	50	20	DDGD	
CC(C)=CCCNC(=O)NNc1ccc(-n2ccnc2)nn1	287047983	JCNAPLHZXBHLQJ-UHFFFAOYSA-N	301.354	1.645	50	20	DDGD	
COCC1(C(=O)NNc2ccccc2[N+](=O)[O-])CCOCC1	289793517	NIMLIWYHEFUWDS-UHFFFAOYSA-N	309.322	1.481	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NC[C@H]1CCC(F)(F)C1	280805313	VEBCJCNLHNOOEO-NSHDSACASA-N	312.320	1.390	50	20	DDGD	
CC(C)c1occc1C(=O)NNC(=O)COc1ccccc1O	280835727	ZONGCCLXDFYQCO-UHFFFAOYSA-N	318.329	1.949	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C1=NN(c2ccccc2)C(=O)CC1	298817902	UEFVJPMXFBNRQD-UHFFFAOYSA-N	316.361	1.363	50	20	DDGD	
CCN(C(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C)[C@@H](C)CO	293947040	JRAOSDGXCPUTOW-REPOHMLUSA-N	300.362	1.341	50	20	DDGD	
CSSCCNC(=O)CSCC(=O)N1CCCCC1	803477567	FEHHFHJNQLPPEU-UHFFFAOYSA-N	322.521	1.860	50	20	DDGD	
O=C(NNc1ccncn1)c1ccc(OC[C@@H]2CCCO2)cc1	295471709	MNOGJGMPKLPLCM-AWEZNQCLSA-N	314.345	1.791	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@H](C)N1CCc2ccccc21	298666778	HFMCFXMFVCATAG-ZDUSSCGKSA-N	318.421	1.814	50	20	DDGD	
O=C(NNc1cnccn1)[C@@H]1CC(c2c(F)cccc2F)=NO1	803119081	OKSCXLHMWCLADI-NSHDSACASA-N	319.271	1.391	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)[C@H]2CCCCO2)c1	295816697	XLWFSWSMGTZDNB-CQSZACIVSA-N	306.362	1.480	50	20	DDGD	
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NNc1cccc(F)n1	804770948	AEYXCOVBLLBSCS-UHFFFAOYSA-N	319.296	1.952	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1F)NNC(=O)[C@@H]1CCCO1	292484220	CBMXUKWWEPGXKH-NSHDSACASA-N	315.732	1.489	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	298271323	DTXXBXBJEYSJSR-UHFFFAOYSA-N	308.250	1.064	50	20	DDGD	
CSCC1CCC(NC(=O)NNC(=O)c2ccc[nH]2)CC1	298180769	RRGQPKRRMVXGMU-UHFFFAOYSA-N	310.423	1.881	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	800332632	ADALCRRHTSCWNF-WDMOLILDSA-N	320.393	1.719	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCC1(OC)CCCC1	296823160	ZJYINHZNBBGYSO-UHFFFAOYSA-N	321.377	1.598	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc([N+](=O)[O-])c2cccnc12	294285290	VUTMVHIFTGRYSW-UHFFFAOYSA-N	314.301	1.704	50	20	DDGD	
COc1cccc(NCC(=O)NN=Cc2snnc2C)c1	814216466	NFROTPWYHQQCKE-UHFFFAOYSA-N	305.363	1.417	50	20	DDGD	
CN(NC(=O)CCCOc1ccc2c(c1)NC(=O)CC2)C1CC1	819651580	PXIJAHOYWWJVQE-UHFFFAOYSA-N	317.389	1.856	50	20	DDGD	
CCOc1ccccc1[C@H](CC(=O)NN(C)C1CC1)NC(C)=O	819647793	RPZJOWIEBFPZFY-HNNXBMFYSA-N	319.405	1.778	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)CN1CCN(C)CC1	812765030	SNGHXBZIYABEAR-UHFFFAOYSA-N	304.438	1.809	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2sccc2C#N)n1	815558449	DEKQSIDFTUOVJF-UHFFFAOYSA-N	317.330	1.105	50	20	DDGD	
CN(CCC(=O)O)S(=O)(=O)c1ccc(CCCl)cc1	818467765	PWHGFKDXGXHSIY-UHFFFAOYSA-N	305.783	1.563	50	20	DDGD	
COc1ccc(OCC(=O)NN=C[C@@](C)(OC)C2CC2)cc1	814721030	ZISUYMJUJDXUKR-MRXNPFEDSA-N	306.362	1.991	50	20	DDGD	
CC(=O)N/C(=C/c1cccs1)C(=O)NNC(=O)C1CCCC1	817517285	PTCHZVQCLVZNOZ-UKTHLTGXSA-N	321.402	1.563	50	20	DDGD	
Cn1nncc1NNC(=O)c1cnc(OCC2CC2)c(Cl)c1	816769625	PQXUCJUBCVFMIX-UHFFFAOYSA-N	322.756	1.409	50	20	DDGD	
CC(C)(C)n1cc(C=NNC(=O)COc2ccccc2O)nn1	814951365	YUXBOUIKFNFGGR-UHFFFAOYSA-N	317.349	1.268	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2conc2C2CC2)nc1	810754902	GLMWNJVPPLSDMS-UHFFFAOYSA-N	302.290	1.491	50	20	DDGD	
O=C(NN=C(c1ccccc1)c1ccccc1)[C@H]1CNCCOC1	818042523	AVEZQXCFXVCHLS-KRWDZBQOSA-N	323.396	1.791	50	20	DDGD	
CCCNC(=O)NN=Cc1ccc(Cl)cc1-n1cncn1	814818889	NMSNORIQDMLNRC-UHFFFAOYSA-N	306.757	1.964	50	20	DDGD	
CCS(=O)(=O)N[C@H](C)C(=O)NNc1cccc(Cl)c1	816845016	YGCIBMHVLUBYES-MRVPVSSYSA-N	305.787	1.111	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCO[C@@H](C(F)(F)F)C2)CC1	814912998	FDFDJRIWMSWKSG-SNVBAGLBSA-N	308.304	1.041	50	20	DDGD	
O=C(NN=c1c(=O)c2cccc3cccc1c32)c1cnccn1	818284277	RIDTYRRWWQATOO-UHFFFAOYSA-N	302.293	1.265	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2CCCc3nc(N)sc32)n1	814753389	VLDNVEXFUIGVNE-UHFFFAOYSA-N	318.406	1.395	50	20	DDGD	
COC(=O)c1ccc(Cl)c(C(=O)NNC(=O)C2CCC2)c1	810379694	JCCAEHGXIYPKQO-UHFFFAOYSA-N	310.737	1.688	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2cn(C)nc2C)ccc1C	816690035	FSYGRIDFCVEKMK-UHFFFAOYSA-N	302.334	1.580	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)Nc1ccc(N(C)C)cc1)C1CC1	813574883	JABZXRMVHQYICA-INIZCTEOSA-N	320.393	1.720	50	20	DDGD	
Cn1c(=NNC(=O)CCc2cncnc2)sc2ccccc21	814268927	LTSOAQUCJHHHGL-UHFFFAOYSA-N	313.386	1.595	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)CC(F)(F)F)c1C(F)F	727485079	HSNCXRUATSUCTH-UHFFFAOYSA-N	300.187	1.071	50	20	DDGD	
C/C(=C\c1cccc(Cl)c1)C(=O)NNc1nccn(C)c1=O	810470093	RHWBHVXREVZXHT-CSKARUKUSA-N	318.764	1.980	50	20	DDGD	
Cc1cccnc1CCCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	826907312	NXZGGIBWMJAFQH-OLZOCXBDSA-N	320.393	1.078	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)CN1[C@@H](C)CC[C@@H]1C	822727561	CQXWYXWZDBXOSS-QWRGUYRKSA-N	323.368	1.928	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCCc1cccc(O)c1	727241631	QCZANKATZCXEQJ-UHFFFAOYSA-N	305.256	1.218	50	20	DDGD	
O=C(NNc1ncccc1Cl)c1ccc(-c2nn[nH]n2)s1	823285514	UTADHTDONNXZGY-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NC[C@@]1(C)C[C@H]1Br	826859199	PKTWESBQOVVYIZ-MFYTUXHUSA-N	304.184	1.475	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)CC1CC(F)(F)C1	496663324	RDVZXBKBSXNGFB-UHFFFAOYSA-N	321.324	1.094	50	20	DDGD	
Cn1nc(C(F)(F)F)cc1C(=O)NNC(=O)CC(F)(F)F	825505664	POXJSZXXPYODAU-UHFFFAOYSA-N	318.177	1.152	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCCC2(C1)OCCO2	491081863	HUZGYWIEVHTNHS-UVTDQMKNSA-N	314.341	1.665	50	20	DDGD	
CC[C@H]1CCC[C@@H]1C(=O)NNC(=O)c1cncc(NC(C)=O)c1	827148616	MPTNSUUVQFIYPF-FZMZJTMJSA-N	318.377	1.627	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H]1CCCN(CCc2ccccc2)C1	823798106	ARGGSRPDKCSPNN-OAHLLOKOSA-N	318.421	1.291	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@H]1CCCC(C)(C)C1	826934783	PIXNIXKLSVYFFM-AVGNSLFASA-N	311.426	1.958	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ccccc2)ccc1C(=O)O	821008759	LPDNEFYOECBQJM-UHFFFAOYSA-N	313.313	1.775	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NN(C)[C@@H](C)CO)c1C	823976923	LGFGOLPRCHBCIN-WFSQQTBHSA-N	318.421	1.766	50	20	DDGD	
COCCC(=O)NNC(=O)CCSc1ccc(F)cc1	727098020	DYKVOXWECKSDRW-UHFFFAOYSA-N	300.355	1.492	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cccc2c1OCO2	826448888	QTAZJFVXDIKADN-UHFFFAOYSA-N	324.300	1.352	50	20	DDGD	
COC(=O)NN=Cc1ccccc1OCC(=O)N1CCCC1	490540717	GUFAEDZQRPOLGK-UHFFFAOYSA-N	305.334	1.378	50	20	DDGD	
CCOC(=O)N[C@H](C(=O)NNc1nc(C)cc(C)n1)C(C)C	490541005	SGIKZBSPTIEOBN-NSHDSACASA-N	309.370	1.307	50	20	DDGD	
CC(C)(C(=O)NNC(=O)COc1ccc(C#N)cc1)C1CCC1	822195691	BIQJNWQILYCXOH-UHFFFAOYSA-N	315.373	1.911	50	20	DDGD	
COc1ccc(-c2cncc(C(=O)NN(C)[C@H](C)CO)c2)cc1	823946047	DHKFDKHWFORJMA-GFCCVEGCSA-N	315.373	1.715	50	20	DDGD	
CCn1nccc1C(=O)NNC(=S)NCCc1cccs1	820171379	OLTLZEPFNJONMV-UHFFFAOYSA-N	323.447	1.316	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@H]1CCS[C@@H]1C	827643217	KBXLBBUUOOIIQZ-PWSUYJOCSA-N	323.418	1.462	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(CN(C)C(=O)OC)cc1	495270700	NFWWDPJVQZNFRK-UHFFFAOYSA-N	308.338	1.448	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccccc1OCCCOC	495692369	VYGFUFVVMJGYHL-UHFFFAOYSA-N	311.338	1.885	50	20	DDGD	
CC(C)N(CCC(=O)NNC(=O)N(C)C)C(=O)OC(C)(C)C	497102372	YIWCPTKIDXPWCO-UHFFFAOYSA-N	316.402	1.324	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	825291008	LLTUNVSVNUJYHP-JTQLQIEISA-N	304.354	1.515	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNC(=O)c1cc(C)cs1)C(C)C	824863626	RYMUNYHLAPIAOK-LLVKDONJSA-N	312.391	1.653	50	20	DDGD	
CS[C@@H](CNC(=O)c1cc(B(O)O)ccc1F)C(C)(C)C	584974304	TYCASEUUZBRWLY-LBPRGKRZSA-N	313.203	1.013	50	20	DDGD	
O=C(COc1ccc(F)cc1)NN=Cc1cnc2n1CCOC2	905428071	JOVQPGXIMCDVSA-UHFFFAOYSA-N	318.308	1.082	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCC(C)(C)c1ccncc1	826822606	ATUQRZWLKJYPGS-WCQYABFASA-N	320.393	1.115	50	20	DDGD	
O=C(C[C@@H]1CC[C@@H]2C[C@@H]12)NNC(=O)[C@H]1COc2ccccc2O1	822192274	HHWMLKMKLKOBDW-NWJSVONSSA-N	316.357	1.410	50	20	DDGD	
C[C@H](CCc1ccccc1)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	825525192	BLRKFDIVKCTDME-NFAWXSAZSA-N	319.405	1.763	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl	829531607	PHFZXVJZDAAZKY-BXKDBHETSA-N	322.236	1.306	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCSc1ccccc1	825534676	RNRQWKUKZDFVSD-YPMHNXCESA-N	323.418	1.534	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)C(C)(C)c2ccccc2)CO1	825957461	MAUFJKJIKVNNDY-YPMHNXCESA-N	305.378	1.472	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NOCC(F)(F)F)cc(C#N)n1C	490726917	VQPQQTMMQZNZDM-XCVCLJGOSA-N	312.251	1.722	50	20	DDGD	
CCOC(=O)N[C@@H](CNC(=O)NNC(=O)C(C)C)CC(C)C	493010685	TYWZGWGSWXQXFI-LLVKDONJSA-N	316.402	1.134	50	20	DDGD	
CCc1cnc([C@H](C)NCc2ccc(B(O)O)cc2F)s1	585017518	YZGKYUJYQDRAHG-VIFPVBQESA-N	308.187	1.375	50	20	DDGD	
C[C@H](C(=O)NNC(=O)N(C)C)N(C(=O)OC(C)(C)C)C1CC1	497310798	DKLNLBZVQCQCOE-SECBINFHSA-N	314.386	1.077	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H]1C(=O)O)c1c(Cl)cccc1Cl	739453461	IQWJQCALPJHIRF-WDSKDSINSA-N	317.128	1.475	50	20	DDGD	
CCCN(CC1CCCCC1)C(=O)c1ccc(B(O)O)c(F)c1	584933638	ITPGXRSAWHCLHK-UHFFFAOYSA-N	321.201	1.938	50	20	DDGD	
Cc1c(C=NNC(=O)C2CCC2)c(=O)n(-c2ccccc2)n1C	731933093	FGJSVEOSTWCUPP-UHFFFAOYSA-N	312.373	1.735	50	20	DDGD	
O=C(CSC1CC1)NNC(=O)Nc1ccc2c(c1)OCO2	831944570	ZCMDIHJBPIIBOA-UHFFFAOYSA-N	309.347	1.464	50	20	DDGD	
Cc1noc(-c2ccc(NC(=O)NNC(=O)CC3CC3)cn2)n1	836735839	QRTTVNQHUUEIJR-UHFFFAOYSA-N	316.321	1.393	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNc2cccc(Br)n2)n1	837210895	KUASYZJZKADJFJ-UHFFFAOYSA-N	324.182	1.801	50	20	DDGD	
COc1ccccc1NCC(=O)NN=CCCc1cnoc1	834920014	FMZVELAWRQKNDX-UHFFFAOYSA-N	302.334	1.830	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@@H](O)c2cccnc2)o1	732278960	GSWKBZMLEZYZSI-NSHDSACASA-N	301.306	1.241	50	20	DDGD	
C[C@]1(C(=O)Nc2cccc(-c3nn[nH]n3)c2)C[C@H]1Br	905543697	MSJCKFMGSQROTB-SKDRFNHKSA-N	322.166	1.979	50	20	DDGD	
O=C(NCC[C@H]1C[C@H]2CC[C@H]1O2)NNc1nc2ccccn2n1	838754454	GXTQHRRPWZLFSF-QJPTWQEYSA-N	316.365	1.313	50	20	DDGD	
CCN1CC[C@@H](NC(=O)NNc2c(C)cccc2Cl)C1=O	838586848	WSIAPZFFNAXPRH-LLVKDONJSA-N	310.785	1.895	50	20	DDGD	
Cc1cc(C=NNC(N)=O)c(C)n1-c1ccc2c(c1)OCCO2	734296599	RRQVEGLQUVKRPY-UHFFFAOYSA-N	314.345	1.868	50	20	DDGD	
COc1c(C)ccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1C	831217530	ADFMKJODALLGTP-NEPJUHHUSA-N	321.377	1.890	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cc(F)c(F)cc1F	831436867	NAKSEOGMQGVSCG-RNFRBKRXSA-N	317.267	1.682	50	20	DDGD	
COc1cc(CC(=O)NNc2cnccn2)cc(OC)c1OC	734242573	LEXUSNHYDRVSNP-UHFFFAOYSA-N	318.333	1.188	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(N(C)C)n1	831578729	SYHJODDINGCKMU-QWRGUYRKSA-N	321.381	1.034	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(OC)c1	831063268	WDKLQAFHCBWVIM-KOLCDFICSA-N	323.349	1.282	50	20	DDGD	
C=CCOc1ccc(CC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	833236771	VJQUPQBPEFCHRH-HNNXBMFYSA-N	318.373	1.510	50	20	DDGD	
CC(C)COC[C@H](NCc1ccc(B(O)O)o1)c1ccco1	585020895	LPJKLKPWXLYOSV-ZDUSSCGKSA-N	307.155	1.056	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(C)c1	831337039	ISDNTFZBAVIXMY-DGCLKSJQSA-N	321.377	1.971	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCCn2cccn2)c1F	837058612	UYTKHGILCUZDNI-UHFFFAOYSA-N	320.324	1.732	50	20	DDGD	
COC(=O)c1ccc(C(C)=NNC(=O)c2cnn(C)c2)c(C)c1	905446785	MOPDNZLFLFJQHF-UHFFFAOYSA-N	314.345	1.669	50	20	DDGD	
CN(C)C(=O)NN=Cc1ccc(OC(F)(F)C(=O)O)cc1	730728077	JMTDPUDOHBUJKG-UHFFFAOYSA-N	301.249	1.348	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CCCCN1C	731867170	XWPZREICDUGYPO-YPMHNXCESA-N	323.368	1.225	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc(S(=O)(=O)C2CC2)cc1	832913088	SXYCGIGBXNAYBR-UHFFFAOYSA-N	322.386	1.184	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1	839717516	NPWJAXPKFQTJHU-UHFFFAOYSA-N	324.337	1.688	50	20	DDGD	
CCc1cccc2c1NC(=O)C2=NNC(=O)NCCCOC	733076164	IOIZGXWOHOCMOM-UHFFFAOYSA-N	304.350	1.241	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)COCc2ccccc2)n1	834958781	DVPVDONJCAVXCZ-UHFFFAOYSA-N	301.350	1.273	50	20	DDGD	
CN1CCCC[C@@H]1C(=O)NNC(=O)Cc1c[nH]c2ccccc12	731864939	FOEVMUJASBSILD-OAHLLOKOSA-N	314.389	1.342	50	20	DDGD	
CC(C)c1ccccc1OCCNCc1ccc(B(O)O)o1	585027569	BOLNTWMESFVSIT-UHFFFAOYSA-N	303.167	1.251	50	20	DDGD	
O=C(O)[C@H]1C[C@@H]1C(=O)NNC(=S)Nc1cccc(Cl)c1	739545952	CHQKLBQGNDKCJJ-IUCAKERBSA-N	313.766	1.378	50	20	DDGD	
COc1ccc(C=NNC(=O)CC(C)C)cc1-c1nn[nH]n1	737080872	ICWXFYNBOYBVTO-UHFFFAOYSA-N	302.338	1.372	50	20	DDGD	
C[C@H](OC[C@H]1CCCCO1)C(=O)NNc1ccc(C(=O)O)cn1	833535441	JCGUEPNZOINCGP-CMPLNLGQSA-N	323.349	1.197	50	20	DDGD	
O=C(NNC(=O)c1cnc(-c2ccccc2)[nH]1)c1ccccn1	736064743	RLHUQIMYBYIDPT-UHFFFAOYSA-N	307.313	1.547	50	20	DDGD	
Cc1n[nH]cc1CNC(=O)NNC(=O)Cc1ccc(Cl)cc1	916578451	IHDTVULNZCXDPB-UHFFFAOYSA-N	321.768	1.445	50	20	DDGD	
CCCCC[C@H](O)C(=O)NNc1nnc(-c2ccccn2)s1	830852548	UYCQTLRADFRPIH-NSHDSACASA-N	321.406	1.984	50	20	DDGD	
Nc1ccc(C(=O)NN=C(CO)c2ccc(F)cc2F)cc1	749603106	FYSVSVCGXIUGBH-UHFFFAOYSA-N	305.284	1.673	50	20	DDGD	
Cc1[nH]nc(C(F)(F)F)c1C(=O)NNC(=O)C1CCCC1	746586902	MTCJGXOAHOPQDP-UHFFFAOYSA-N	304.272	1.688	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1cc(C)ccc1O	916364071	CAALQCHPGNNYAD-ZDUSSCGKSA-N	319.405	1.509	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=Cc1cccc([N+](=O)[O-])c1	747638170	MOCCNVBOCXJBRO-UHFFFAOYSA-N	323.312	1.935	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(Cl)nc1F	911505035	PBYKNMICFQNASM-NKWVEPMBSA-N	301.705	1.060	50	20	DDGD	
Cc1cc(N(C)C)ccc1C=NNC(=O)N1CCN(C)CC1	841638281	PHQMGTWDWIEODC-UHFFFAOYSA-N	303.410	1.352	50	20	DDGD	
O=C(NNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccc[nH]1	917938487	KXUIZYBUIGVYAI-UHFFFAOYSA-N	313.273	1.479	50	20	DDGD	
Cc1csc(CC(=O)NN=C2C(=O)Nc3cc(O)ccc32)n1	915957234	QWYFXRDRRYHVIR-UHFFFAOYSA-N	316.342	1.172	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)Cc2ccncc2)o1	747489562	OTRUVGWCSOUCBN-UHFFFAOYSA-N	302.334	1.099	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCCc2ccccc21	843640390	CHDSBUZMTLRJCQ-LNSITVRQSA-N	302.374	1.679	50	20	DDGD	
COc1cccc(F)c1C(=O)NNC(=O)Cn1nc(C)cc1C	746096641	FYFTWAQSUQUJSC-UHFFFAOYSA-N	320.324	1.109	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@H](C)C(=O)NCCc1ccccc1	840728379	JPQUHNQKENWPMH-DKXRRRNBSA-N	315.373	1.294	50	20	DDGD	
CO[C@](C)(C1CC1)[C@H](C)NC(=O)NNC(=O)c1ccccc1O	840416901	ODLZYVDUHAIADJ-QFYYESIMSA-N	321.377	1.540	50	20	DDGD	
Cc1ccc(F)c2c1C(=NNC(=O)[C@H]1CCO[C@H]1C)C(=O)N2	842553424	GTTDSURJCCEYLE-IUCAKERBSA-N	305.309	1.332	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@@H](C)n2ccnc2)c(O)c1	846632426	MERCJHLRBFAFCY-LLVKDONJSA-N	302.334	1.309	50	20	DDGD	
O=C(Cc1cncc(O)c1)NNC(=O)c1cc2c(s1)CCC2	848367883	NUGDXIBIPFIEIN-UHFFFAOYSA-N	317.370	1.341	50	20	DDGD	
N#Cc1ccc(NNC(=O)CSc2nnc(S)s2)cc1	748117438	CQQFAAVOXKPDGP-UHFFFAOYSA-N	323.428	1.934	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc(O)c2ccccc12	843971084	OQOFZCIZSZQWLD-UWVGGRQHSA-N	315.329	1.126	50	20	DDGD	
Cc1cncc(C(=O)NNC(=O)c2ccc(Cl)cc2O)c1	743314380	RYALDBBPGIOJKM-UHFFFAOYSA-N	305.721	1.824	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccc(C(F)(F)F)cn1	918366458	PILOOEMKARTKSF-UHFFFAOYSA-N	315.173	1.814	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)[C@@H]1CCCSC1	848323152	YKSXKYJGKJGIEU-SSDOTTSWSA-N	317.212	1.825	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)c1ccccc1O)CC(C)C	842185978	QMKGURIBRSUEPF-LLVKDONJSA-N	309.366	1.397	50	20	DDGD	
CCO[C@@H](C)c1ncc(C(=O)NNC(=O)c2c[nH]nc2C)s1	742647671	PZAMZZIVWUWLOG-QMMMGPOBSA-N	323.378	1.347	50	20	DDGD	
COC1([C@@H](C)NC(=O)NNC(=O)c2ccc(C#N)cc2)CCC1	840454772	UUZIXKRMRRKROH-LLVKDONJSA-N	316.361	1.460	50	20	DDGD	
C=C(CBr)COC(=O)c1cn(CCOC)nn1	842120206	XLFJCEYMXWEBTP-UHFFFAOYSA-N	304.144	1.032	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])CN1	917216241	ZQKSBLHVTDIGGX-ZETCQYMHSA-N	312.713	1.218	50	20	DDGD	
CCCCNC(=S)NNC(=O)Cn1ccc2ccccc21	918321096	ORJRPXSGZOINEC-UHFFFAOYSA-N	304.419	1.937	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)O[C@H](C)C(=O)N(C)C)cc(C#N)n1C	744633723	YXYSBJCPYUWUAB-XXLSNGBASA-N	314.345	1.132	50	20	DDGD	
N#CSCCCNS(=O)(=O)c1cccc2c1OCCO2	916973088	XJPVYWFZHAWLSB-UHFFFAOYSA-N	314.388	1.340	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cnn(-c2ccccc2Cl)c1	747411847	HTQGPDXISNKUMU-UHFFFAOYSA-N	306.753	1.943	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NN=C[C@]1(OC)CCOC1	841616539	PGRGXQLGUBKANZ-CQSZACIVSA-N	312.753	1.870	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCC[C@]1(O)CCCOC1	846603101	OHOFXADNXQALPZ-OOXMNIKJSA-N	318.348	1.780	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@@H](CC)CO)cc1	841375748	KRJPWJFQGLTXPB-JTQLQIEISA-N	311.407	1.421	50	20	DDGD	
Cc1ccc(C)c(OCCC(=O)NNC(=O)c2ncccn2)c1	841350860	LNQJOYRSPWTFAM-UHFFFAOYSA-N	314.345	1.324	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1C[C@]12CCc1ccccc12	843653164	MHOKWGFKYJDUIY-VZBWRMENSA-N	314.385	1.463	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(C(=O)O)c(F)c1	849176039	CSSXBUQDHKDGLZ-WUFUFFIZSA-N	306.293	1.582	50	20	DDGD	
Cn1ccnc1[C@@H](CC(=O)NNc1cnccn1)C(F)(F)F	847755261	WCYWSJAVRKVPRT-MRVPVSSYSA-N	314.271	1.389	50	20	DDGD	
COCc1nc(C(=O)NNC(=S)NC(C)(C)C)cs1	920889644	FACRUVIHEGHYGO-UHFFFAOYSA-N	302.425	1.197	50	20	DDGD	
COc1cccc([C@H](OC)C(=O)NNc2cc(C)nc(C)n2)c1	857131301	UZSFCRKTMLWCDQ-HNNXBMFYSA-N	316.361	1.933	50	20	DDGD	
CO[C@@H](C)CNC(=O)NNC(=O)c1cccc(OC(F)F)c1	852056572	LVMDAZMHXILFNB-QMMMGPOBSA-N	317.292	1.267	50	20	DDGD	
C[C@H](CN(C)C(=O)NC[C@@]1(C)C[C@@H]1Br)C(=O)O	857101092	ROBWAVCKKSOZOK-VHSKPIJISA-N	307.188	1.522	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)C[C@H]1CCc2ccccc2C1	755289209	OMKDPPNYVBJMAQ-LBPRGKRZSA-N	312.373	1.295	50	20	DDGD	
Cc1nccn1CCNC(=O)NC[C@@]1(C)C[C@@H]1Br	856840896	WOVMNERODTWLGD-CMPLNLGQSA-N	315.215	1.664	50	20	DDGD	
Cc1ccc(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C	920385530	ZYAACQUBBAEDJZ-CYBMUJFWSA-N	309.391	1.124	50	20	DDGD	
C[C@]1(CNC(=O)N2CC([C@@H]3CCOC3)C2)C[C@@H]1Br	856956189	VJGVDVLCHAHGFV-SUZMYJTESA-N	317.227	1.838	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CN(C)C[C@@H]2C)cc1C	752163205	SJLKDOQAXFUEBJ-LBPRGKRZSA-N	302.378	1.296	50	20	DDGD	
Cc1n[nH]cc1S(=O)(=O)NC[C@]1(C)C[C@@H]1Br	856756102	JPHAJEVOHFYLIF-IUCAKERBSA-N	308.201	1.170	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NC[C@H](C)C2CC2)c1	920050415	YYIUYZNXCLQBDP-LBPRGKRZSA-N	305.378	1.750	50	20	DDGD	
CC(C)NC(=O)/C(C#N)=C/c1cc2c(cc1[N+](=O)[O-])OCCO2	920386953	HUCPDMBBSWWEQI-VZUCSPMQSA-N	317.301	1.798	50	20	DDGD	
CNc1nnc(CC(=O)NC[C@@]2(C)C[C@@H]2Br)s1	857732727	CKOQEWOOCCBVLG-QUBYGPBYSA-N	319.228	1.412	50	20	DDGD	
O=C(C[C@H]1CC(=O)N1)NNC(=O)CC12CC3CC(CC(C3)C1)C2	854196853	OEGSNMVNFCCCSH-CQCMJFKXSA-N	319.405	1.019	50	20	DDGD	
O=C(CCN1CCCCCC1)NN=Cc1cnc2ncccn12	755579054	KSOCMUPPRFKUNH-UHFFFAOYSA-N	314.393	1.446	50	20	DDGD	
O=C1CCc2ccc(NC(=O)NNC(=O)C3CCCC3)cc2N1	756748493	YNGJDDRSISKXSP-UHFFFAOYSA-N	316.361	1.914	50	20	DDGD	
COc1ccc([C@@H]2C[C@H]2C(=O)NNc2ncncc2F)cc1	854609908	VQFMTMRLSDBZHV-NWDGAFQWSA-N	302.309	1.871	50	20	DDGD	
CCN1CCOC[C@@H]1C(=O)OC[C@H](CBr)C1CC1	859619781	VWULVUVMMJHAJB-NWDGAFQWSA-N	320.227	1.671	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)OCC(F)(F)F	856025356	PTIWDAGBRYEZRM-UHFFFAOYSA-N	316.239	1.197	50	20	DDGD	
O=C(NN=Cc1cccc(OC2CC2)c1F)N1CCOCC1	853297050	XNOVDUIFSIAHSS-UHFFFAOYSA-N	307.325	1.743	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccccc2F)nc1Cl	752973809	HGCXGSZFPOXHCM-UHFFFAOYSA-N	318.695	1.821	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1c(C)nc2ccccn12)C1CC1	851915705	NUGIHONYDLBJSE-LBPRGKRZSA-N	315.377	1.775	50	20	DDGD	
CCN1C[C@@H](CNC(=O)NNc2ccc(F)c(F)c2)CC1=O	923076386	ZBIKUONFCFPXGU-SECBINFHSA-N	312.320	1.459	50	20	DDGD	
COc1ccc(OC(C)(C)C(=O)NNc2ccncn2)cc1	854746804	HDKSVOXATKDJHX-UHFFFAOYSA-N	302.334	1.786	50	20	DDGD	
CC(C)c1ncc(C=NNC(=O)[C@@H](C)CN2CCOCC2)s1	758371138	IZSLVURDLOAGFP-LBPRGKRZSA-N	324.450	1.685	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](C)c2nnc(C)s2)o1	759315915	LBIIKGOFBBYZDO-ZETCQYMHSA-N	309.351	1.453	50	20	DDGD	
CCCc1cc(NC(=O)NNc2ncc(Cl)cn2)n(C)n1	856852915	GZKYMBPHFJQHPK-UHFFFAOYSA-N	309.761	1.965	50	20	DDGD	
Cn1nc(C(=O)OC[C@@H](CBr)C2CC2)ccc1=O	859506644	VPDCYKDYXDSJMD-SECBINFHSA-N	315.167	1.358	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(C(=O)N[C@H](C)CC)cc1	756187069	QGSFFDLIOKLEPQ-SNVBAGLBSA-N	306.366	1.778	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@](C)(NC(C)=O)C(C)C	935242257	IGGJYYAZGUXYEV-MRXNPFEDSA-N	321.377	1.467	50	20	DDGD	
O=C(NNc1ncncc1F)NC1(C(F)(F)F)CCOCC1	932302792	ZCCIRJNJNBLPFO-UHFFFAOYSA-N	323.250	1.353	50	20	DDGD	
C[C@H](NC(=O)NC[C@@]1(C)C[C@@H]1Br)c1nc[nH]n1	856955089	VQPCKNYMPFUDLR-MHYGZLNHSA-N	302.176	1.338	50	20	DDGD	
C#CCOc1ccc(NC(=O)NNC(=O)c2ccncc2)cc1	756479202	JAOCJTZGVDDLOM-UHFFFAOYSA-N	310.313	1.560	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)c1cnn(C)c1N	758383317	PROCXVMBZJZGOF-UHFFFAOYSA-N	324.182	1.830	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)COCc2ccccc2)[C@H]1C	859489515	NAKRNCIFGREZIW-BCUIYNNISA-N	320.389	1.410	50	20	DDGD	
O=C(NNC(=O)N1CCC2(CCCC2)C1)c1cccc(F)n1	852709549	XUGKXYHJGRFODB-UHFFFAOYSA-N	306.341	1.841	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccc(COc2ccccc2)cc1	757897484	XFFKRYINDXZJHJ-UHFFFAOYSA-N	315.329	1.411	50	20	DDGD	
OB(O)c1cccc(CNc2ccc3nc(C4CC4)oc3c2)c1	864029950	FKGZNTPBHXZBAU-UHFFFAOYSA-N	308.146	1.997	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)CC(F)(F)F)c1	764113315	WDNMPWYXTIZHJE-UHFFFAOYSA-N	303.240	1.033	50	20	DDGD	
Cc1nnc(NNC(=O)C(C)(C)c2ccc(F)cc2)nc1O	768929139	UVRKRJSZMIBEFD-UHFFFAOYSA-N	305.313	1.446	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)n[nH]1	869013058	KGJBORFHZCDFRJ-SNVBAGLBSA-N	320.324	1.015	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNC(=O)c2ccccn2)cc1	764429989	NRVCXORHZLHKNH-UHFFFAOYSA-N	313.357	1.829	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCC(C)(C)OC	868230557	HJBWNSCOXFBSPH-UHFFFAOYSA-N	309.366	1.454	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H](C)N2CCc3ccccc3C2)cc[nH]1	862511569	ULBKWGUPIODANT-CQSZACIVSA-N	310.401	1.702	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CC(F)(F)F)c1[N+](=O)[O-]	769910308	SJFYZSJSPBQBFI-UHFFFAOYSA-N	321.211	1.317	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1O	769203551	RKNUHPPFQUJRKW-UHFFFAOYSA-N	319.233	1.361	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cn[nH]c2)ccc1OC(C)C	860683930	CBECCKPOSQDLJG-UHFFFAOYSA-N	317.349	1.972	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=Cc1ccc(Cl)cc1	763193709	CSEDUWBFKYBRLU-UHFFFAOYSA-N	316.748	1.615	50	20	DDGD	
COCc1ccccc1NC(=O)C(=O)NNC(=O)C1CCCC1	764071614	WCDIJKRTGFTOMT-UHFFFAOYSA-N	319.361	1.109	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)COc2ccccc2F)CCC1=O	763282149	HWOYLIRFUQHJKT-GHMZBOCLSA-N	322.336	1.357	50	20	DDGD	
CN(NC(=O)c1csc(S(C)(=O)=O)c1)c1ccccc1	767148275	PWXWFBWPCPYOHC-UHFFFAOYSA-N	310.400	1.933	50	20	DDGD	
Cn1c(=NNC(=O)[C@@H]2C[C@@]23CCOC3)sc2ccccc21	763370942	YMZPPCDXHHEJHM-ZUZCIYMTSA-N	303.387	1.598	50	20	DDGD	
C[C@H]1CCN(CC(=O)NNC(=O)C2CC2)CC12CCCCC2	765086863	XRCXAYGFEJMAML-ZDUSSCGKSA-N	307.438	1.836	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1F)c1cc2n(n1)CCCO2	762140189	SKCIWNAPZCRZEN-UHFFFAOYSA-N	312.251	1.840	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc(-c2cnco2)cc1	1115869497	HGPRIQGVPWBEFV-UHFFFAOYSA-N	304.375	1.859	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@H]1COc2ccc(F)cc2C1	1116402723	NJLDIRPQZGSYDG-MRVPVSSYSA-N	320.242	1.477	50	20	DDGD	
C#CCNC(=O)[C@@H](C)OC(=O)[C@H](Br)C(C)(C)C	766752071	OTZDXTCXVDYMBI-BDAKNGLRSA-N	304.184	1.477	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCc2ccc(F)cn2)cc1	764379596	SLFMZKGWNRHGNJ-UHFFFAOYSA-N	316.336	1.927	50	20	DDGD	
CCC1(C(=O)OCC(=O)NNC(=O)Cc2ccccc2C)CC1	767366919	INWCKCPYSPCRRT-UHFFFAOYSA-N	318.373	1.418	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)[C@H]2CC(=O)N(C3CC3)C2)nn1	1116096409	NVKHMPYIDLYVNR-JTQLQIEISA-N	317.393	1.228	50	20	DDGD	
CC[C@H](CO)C(=O)NNC(=S)Nc1cccc(Cl)c1	873787223	XSSAMVWJFUBTMM-MRVPVSSYSA-N	301.799	1.676	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Cn1ccnc1C(C)C	873814867	SUKOSWMGWCTSEF-UHFFFAOYSA-N	300.362	1.776	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CCO[C@@H](C(C)C)C2)c1	1118864365	OULKTPPINNNRRL-LLVKDONJSA-N	311.407	1.768	50	20	DDGD	
COC(OC)C(=O)NNC(=O)c1ccc(OCCC(C)C)cc1	873787885	ZIEIVBBZCKHFCA-UHFFFAOYSA-N	324.377	1.491	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)C2CCOCC2)cccc1N(C)C	879113693	ANSPUQHUSUIBIF-UHFFFAOYSA-N	320.393	1.640	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(Cc2ccc(O)cc2)CC1	870133599	CQTQJHXHEDSWMV-FYWRMAATSA-N	315.373	1.480	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCc1cn(C)c2cc(F)ccc12	875501747	FOIJKHTZWSSNCB-UHFFFAOYSA-N	322.340	1.772	50	20	DDGD	
CCOC(=O)NCCC(=O)NNC(=S)Nc1cccc(C)c1	873774032	CWJGCAWZHUPZSX-UHFFFAOYSA-N	324.406	1.449	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H]1COc2ccccc2O1	772892163	ZANPGGDJFGWQJG-ZDUSSCGKSA-N	314.345	1.883	50	20	DDGD	
CCc1ccccc1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	772203679	SJKOYWBBIKFTPH-LBPRGKRZSA-N	320.389	1.988	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccc(Cl)cc1OC	875258310	XHZKAFZVGSABHX-UHFFFAOYSA-N	301.730	1.761	50	20	DDGD	
CN(Cc1noc(C2CC2)n1)S(=O)(=O)CBr	771472077	BSHUYOJHHIDRSO-UHFFFAOYSA-N	310.173	1.061	50	20	DDGD	
CCC(CC)N1C[C@H](C(=O)NNc2ccc(F)cn2)CC1=O	874651514	PGQDPMIMJVIHLL-SNVBAGLBSA-N	308.357	1.701	50	20	DDGD	
CC(=NNC(=O)c1nnc(O)c2ccccc12)[C@H]1CCCOC1	779760505	SWLKJOQPTDWINT-NSHDSACASA-N	314.345	1.868	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)CC[C@H]2CCOC2)cn1	874953773	IQBKYAIKQVADES-JTQLQIEISA-N	324.406	1.225	50	20	DDGD	
COc1ccccc1NCC(=O)NN=CC1CCN(C)CC1	872328037	OHYHNMCJXDNRLT-UHFFFAOYSA-N	304.394	1.551	50	20	DDGD	
Cc1nnnn1/C(=C/c1ccccc1)C(=O)NNc1ccccn1	777469110	UPAMMDJBKFWQDU-SDNWHVSQSA-N	321.344	1.518	50	20	DDGD	
CC(C)N(C)C(=O)C1CCN(S(=O)(=O)CCCCl)CC1	881787264	DODCFSHXNNYXCY-UHFFFAOYSA-N	324.874	1.524	50	20	DDGD	
COCCOc1cc(C(=O)NNC(=O)c2ccccc2)ccn1	776727963	AGNQNEGIMDKPIL-UHFFFAOYSA-N	315.329	1.182	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2cc(Br)ccc2F)N1	885145796	FEQUDXNUTSQUIY-QMMMGPOBSA-N	316.130	1.310	50	20	DDGD	
O=C(CNC(=O)c1cccc(O)c1)NNc1ccccc1F	779008112	DXUIHTHJJOAWOQ-UHFFFAOYSA-N	303.293	1.404	50	20	DDGD	
CC1(C)c2ccccc2CCN1CC(=O)NNC(=O)C1CC1	773761441	PQIBHAQAKJOPKR-UHFFFAOYSA-N	301.390	1.337	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2nccc(OC)n2)c(F)c1	772132908	FNJWCSKEEYAMRJ-UHFFFAOYSA-N	320.280	1.168	50	20	DDGD	
Cc1cccc2[nH]cc(CC(=O)NNC(=O)C3CCOCC3)c12	883063127	DKJATAUUNOHFJV-UHFFFAOYSA-N	315.373	1.593	50	20	DDGD	
C[C@H](CBr)COC(=O)c1ccc(C(N)=O)cc1	770327405	WMKOLUNNOGLBPI-MRVPVSSYSA-N	300.152	1.973	50	20	DDGD	
C[C@@H]1COCC1=NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	884432181	VMAPCZRGSXDNNV-SECBINFHSA-N	311.363	1.234	50	20	DDGD	
CCc1ccc(C(C)(C)C(=O)NNC(=O)c2cccnn2)cc1	882056902	IDYDNFTUTJVZQX-UHFFFAOYSA-N	312.373	1.778	50	20	DDGD	
CCc1nn(C)cc1NC(=O)C(=O)NNc1ccccc1Cl	784775024	RSDLDIFYUBWMFK-UHFFFAOYSA-N	321.768	1.718	50	20	DDGD	
Cn1ncc2c1CCC[C@@H]2NC(=O)NNc1ncncc1Cl	780973727	ISDYQYZVNDTTIZ-JTQLQIEISA-N	321.772	1.567	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2ccc(F)c(F)c2)ncn1	783947891	FECYKPFEAVGRLB-UHFFFAOYSA-N	307.260	1.145	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2ccc3cncn3c2)c1	785684045	HXBWTXIFZBOJCP-UHFFFAOYSA-N	324.340	1.483	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@H]1OCCc2ccccc21	881887753	UCOWICBEPSGNFH-CYBMUJFWSA-N	303.811	1.849	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CSc1ccc(OC)cc1	887139481	QXOSVYUDSIXRNJ-UHFFFAOYSA-N	306.387	1.738	50	20	DDGD	
O=C(NNS(=O)(=O)CCC1CCCC1)[C@H]1CCCCO1	882730086	VETUZUBHBPPYJH-GFCCVEGCSA-N	304.412	1.086	50	20	DDGD	
Cc1cc(C(=O)NNc2ccnc(F)c2)c2c(C)nn(C)c2n1	781362600	ZBEDONGOEXZHLB-UHFFFAOYSA-N	314.324	1.876	50	20	DDGD	
Cc1ccc2[nH]cc(C(=O)NNC(=O)c3cccnc3)c(=O)c2c1	788263826	FAAWBTSJIKXHLI-UHFFFAOYSA-N	322.324	1.306	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H]2CCc3nccn3C2)n1	788000636	IHQTZVKOPPCDKZ-SECBINFHSA-N	306.757	1.341	50	20	DDGD	
CN(C)C(=O)[C@H]1CCC[C@H](NS(=O)(=O)CCCCCl)C1	780777224	UGFGMIIQCVPYQA-RYUDHWBXSA-N	324.874	1.572	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](NC(C)=O)C(C)C)c1	780792235	FUXACLOMZRVZRD-ZDUSSCGKSA-N	307.350	1.077	50	20	DDGD	
O=C(CSCc1cccnc1)NNc1ncncc1Cl	781830168	LVQZMRWTARNKGS-UHFFFAOYSA-N	309.782	1.902	50	20	DDGD	
O=C(NN=Cc1cc(Cl)cs1)N[C@H]1CCS(=O)(=O)C1	782201714	RWXIJRQCJIRMMT-QMMMGPOBSA-N	321.811	1.222	50	20	DDGD	
C[S@@](=O)Cc1cccc(C(=O)NNc2ncncc2Cl)c1	781824685	GDHWUYUUUXOGQT-OAQYLSRUSA-N	324.793	1.765	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)c3ccccc32)c(O)c1	789901688	UKASXOJFTDWGEH-AWEZNQCLSA-N	324.336	1.832	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)C3(C)CCCCC3)nc21	780699590	ICXHGSDQPRXVFO-UHFFFAOYSA-N	304.354	1.482	50	20	DDGD	
CO[C@H](C)CCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	798308890	CPMJDCMWXQDHIZ-GFCCVEGCSA-N	321.377	1.204	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)Cc1cnccc1Cl	899997067	FZGGSLWVGJBIGM-UHFFFAOYSA-N	300.815	1.571	50	20	DDGD	
C=C(CBr)COC(=O)[C@@H]1CCCN(C(C)=O)C1	795407010	SUAHZNRBYCNTQB-LLVKDONJSA-N	304.184	1.739	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccccc2OCC#N)n1	794080374	LMKJYMZZVLYSOM-UHFFFAOYSA-N	310.313	1.367	50	20	DDGD	
Cc1nn(C)c(Cl)c1C=NNC(=O)c1ccc(O)c(O)c1	794550340	DODNMNBLUJKLIZ-UHFFFAOYSA-N	308.725	1.557	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCC[C@@](C)(C#N)C2)n1	793227589	FHABFKNVYAREJL-HNNXBMFYSA-N	301.350	1.370	50	20	DDGD	
CCCNC(=O)NNC(=O)COc1ccc([N+](=O)[O-])c(C)c1	797713588	MOGBIVKVSFJLEX-UHFFFAOYSA-N	310.310	1.022	50	20	DDGD	
C[C@H](NCC(=O)NNC(=O)C(C)(C)C)c1c(F)cncc1F	796636937	DCECVOXGJNCYMO-QMMMGPOBSA-N	314.336	1.204	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21	1319002977	FAMUJICPPHLPNX-JTQLQIEISA-N	323.349	1.105	50	20	DDGD	
CCOCC(=O)NN=Cc1ccc(OCC(=O)OCC)cc1	1319399818	DZGMMDAGMXPEAT-UHFFFAOYSA-N	308.334	1.115	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2O)ccn1	1317980323	HVWNDUPSTLUUDR-UHFFFAOYSA-N	321.720	1.524	50	20	DDGD	
CC(C)CCO[C@@H]1CCN(S(=O)(=O)CBr)C1	701761470	OVRQLNYMCUWVHL-SNVBAGLBSA-N	314.245	1.806	50	20	DDGD	
CN[C@H](C)CCNC(=O)NNc1ccc(C(=O)OC)cc1F	1327486839	OPCBFOXHQRVNFV-SECBINFHSA-N	312.345	1.236	50	20	DDGD	
Cn1ccc(NNC(=O)C[C@H](n2cccn2)C(F)(F)F)n1	1328989790	MSXMWMOABUKXGD-QMMMGPOBSA-N	302.260	1.253	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1cccnc1)c1ccccc1Cl	1327835970	BVDUPWQHWNROCX-GFCCVEGCSA-N	305.721	1.230	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2ncncc2F)cn1C1CC1	1324360142	SFBQWJZNXNDLIF-UHFFFAOYSA-N	303.297	1.178	50	20	DDGD	
CCOc1ccc(C(C)=NNC(=O)C[N+](C)(C)C)cc1[N+](=O)[O-]	1321067225	MDXNQXGHBVOBSS-UHFFFAOYSA-O	323.373	1.540	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)C1CCNCC1)c1ccc(F)cc1	1325354245	IHFVYKKZYJTJJY-LLVKDONJSA-N	322.384	1.259	50	20	DDGD	
O=C(NN=C1COCCOC1)c1cncn1-c1ccccc1	1324473557	KEZDWZRMPDOLOL-UHFFFAOYSA-N	300.318	1.005	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(Oc2ccccc2)CC1	1325760898	LEVWGZSNNKTCNN-NSHDSACASA-N	320.345	1.087	50	20	DDGD	
CCOc1cc(C=NNC(=O)CCO)ccc1OC(F)F	1252567198	IAKNIPOWMAQILP-UHFFFAOYSA-N	302.277	1.519	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)NCc2ccco2)C[C@H]1Br	1331068407	SVPMYADFIXNEQV-BXKDBHETSA-N	315.167	1.186	50	20	DDGD	
C[C@H](C(=O)NNc1cc(Cl)nc(Cl)c1)[C@H]1CCC(=O)N1	1335297366	UBZRQWUANRKRTA-POYBYMJQSA-N	317.176	1.746	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)c1cccnn1)CC(F)(F)F	1333605554	FVSOXEPLUVWNKX-ZETCQYMHSA-N	305.260	1.009	50	20	DDGD	
Cn1cc(C(=O)NNc2nncc(N)c2Cl)c2ccccc21	1340556798	YJTXPABKIHYRGM-UHFFFAOYSA-N	316.752	1.961	50	20	DDGD	
O=C(N[C@@H]1Cc2cccnc2NC1=O)C1CCC(Cl)CC1	1350315302	LWZAOFBRHYCVQC-QEWOUOOISA-N	307.781	1.859	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2nc3cnccc3s2)nc1	1602384570	QOBGIXYCNVBJCA-UHFFFAOYSA-N	315.314	1.541	50	20	DDGD	
O=C(NN=CCCOCC(F)F)c1cccc(-c2nn[nH]n2)c1	1606850933	SHOUZEFRMYRBSS-UHFFFAOYSA-N	324.291	1.254	50	20	DDGD	
Cc1[nH]nc(Cl)c1C(=O)NNc1ccc(C(=O)O)c(F)c1	1607937121	SKGHBYAJKRBQEG-UHFFFAOYSA-N	312.688	1.966	50	20	DDGD	
CC(=NNC(=O)Cc1nc(C)cs1)c1cc(C(=O)O)co1	1602987353	LPLYCYMXZHSHSR-UHFFFAOYSA-N	307.331	1.826	50	20	DDGD	
O=C(CCc1ccccc1C(=O)O)NNc1ncc(F)cn1	1601290694	CSCZLEGBQLHKEQ-UHFFFAOYSA-N	304.281	1.390	50	20	DDGD	
C=C[C@@H](NNC(=O)COc1ccc(C(C)(C)C)cc1)C(=O)O	1609272238	LFJOQQMQKXJCGL-CYBMUJFWSA-N	306.362	1.623	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)NCCCOC(F)F)cc1	1608780697	CZHQQQNMFQUTNG-UHFFFAOYSA-N	317.292	1.569	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@@H]2CCCO[C@@H]2c2ccnn2C)CCO1	1549313827	ACYBBIFVLSHPSM-KYOSRNDESA-N	320.393	1.559	50	20	DDGD	
Cc1occc1C=NNC(=O)[C@H]1CCCO[C@H]1c1ccnn1C	1549317990	XYACMJZJQYLFRJ-DZGCQCFKSA-N	316.361	1.940	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C=NNC(=O)c1cnccn1	1552447267	QSQXFMVQNKUGAB-BXUZGUMPSA-N	314.349	1.094	50	20	DDGD	
Cn1c(=NNC(=O)C[C@H](N)C(C)(C)C)sc2ccccc21	1579940011	LCRGWXAUZPYPOC-LBPRGKRZSA-N	306.435	1.935	50	20	DDGD	
CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Cl)CC2)CC1	1835080288	OQDZNKCRQUTYKT-CYBMUJFWSA-N	319.808	1.112	50	20	DDGD	
C[C@@H]1C[C@]1(C)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1845084741	IMCGFUMSACGKSO-BREBYQMCSA-N	302.777	1.770	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCl)c1cccc(-c2nn[nH]n2)c1	1589975774	GOSSBVUZHOZTOI-SSDOTTSWSA-N	301.759	1.043	50	20	DDGD	
O=C(O)C1=NO[C@@H](C(=O)NNc2ccccc2C(F)(F)F)C1	1594889493	MKRQQJDPFMLBET-SECBINFHSA-N	317.223	1.378	50	20	DDGD	
O=C(NNc1cc(O)nc2ncccc12)[C@H]1CC[C@@H](C(=O)O)C1	1594780146	KOIMPNJXNBVYQJ-DTWKUNHWSA-N	316.317	1.279	50	20	DDGD	
CN(C)N(C(=O)[C@H]1CCCS1)c1nc(CC(=O)O)cs1	1598255288	CBXXAEJHDQWHJK-SECBINFHSA-N	315.420	1.475	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)O)N1C(=O)/C(C#N)=C\c1ccc(O)cc1	1594215454	BVCYJLCWFXWEFT-NGJQAGNDSA-N	300.314	1.763	50	20	DDGD	
CN(C)c1cncc(NC(=O)NNc2ncccc2C(=O)O)c1	1593712689	KJQONEHTZDHIPQ-UHFFFAOYSA-N	316.321	1.389	50	20	DDGD	
C[C@H](NC(=O)/C(C#N)=C/c1cc(C(=O)O)nn1C)c1ccccc1	1776119396	ACFCKLKJAYRCEV-ZWSXMNCCSA-N	324.340	1.903	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)c1ccccn1	14235917	DOGNDEFRNJHYRD-QMTHXVAHSA-N	313.313	1.071	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccoc2C)cc1	17276178	OECKJTBHMYIYMI-UHFFFAOYSA-N	316.313	1.514	50	20	DDGD	
C=CCNC(=S)NNC(=O)COc1ccc2c(c1)CCCC2	160978484	QTGIVINJFSIOFN-UHFFFAOYSA-N	319.430	1.626	50	20	DDGD	
Cc1nn(C)c(C)c1CC(=O)NNc1cccc([N+](=O)[O-])c1	151529659	KTZXPOIDJPDJMJ-UHFFFAOYSA-N	303.322	1.631	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1cc2c(s1)CCOC2	153460100	MMXQINIALIYSOJ-UHFFFAOYSA-N	320.330	1.881	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)c2ccc(F)cc2Cl)nn1	154286786	VTNPOFBEKNDAKL-UHFFFAOYSA-N	309.688	1.125	50	20	DDGD	
O=C(NCC(Cl)Cl)[C@@H]1CCCN1C(=O)C(F)(F)F	837647012	VTYINCMBKCOUGG-YFKPBYRVSA-N	307.099	1.460	50	20	DDGD	
CC[C@@H](O)[C@@H]1CCCCN1S(=O)(=O)CBr	782462778	MEEPHVGUMAYINZ-DTWKUNHWSA-N	300.218	1.294	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)C1(c2ccccc2)CCCC1	176550970	CHQVIIPKMUZWPG-UHFFFAOYSA-N	317.389	1.170	50	20	DDGD	
O=C(Nc1cccc(C(=O)NNC(=O)C2CC2)c1)NC1CC1	54813234	UOBOTACMGPMTTP-UHFFFAOYSA-N	302.334	1.142	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](C)c1cccc(F)c1	173893215	FPYZDTYKTSACDT-SNVBAGLBSA-N	323.368	1.381	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@@H]1CC=CCC1	67482643	OWXBFDRHGOFDSS-GFCCVEGCSA-N	303.362	1.996	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)[C@@H]1COc2ccccc21	113164105	UKZMMGZUZLDEGR-GFCCVEGCSA-N	323.312	1.751	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CC[C@H]1CC[C@H](C)O1	175651960	RGHMHKHGKCOTKG-GXTWGEPZSA-N	320.389	1.733	50	20	DDGD	
CC1CCC(=CC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)CC1	114635116	JTNYWENYRWCQBK-PYMCNQPYSA-N	314.451	1.615	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CC[C@@H]2CC[C@H](C)O2)cc1	174980370	DARMGJZYXRMLMR-ZFWWWQNUSA-N	320.389	1.869	50	20	DDGD	
CCCc1ncc(C(=O)NNc2ncnc3nc[nH]c23)s1	173941081	KLDNQEVVSQHOFB-UHFFFAOYSA-N	303.351	1.519	50	20	DDGD	
N#Cc1c[nH]c(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)c1	175147764	ILHCLMIXGFXOSZ-UHFFFAOYSA-N	320.312	1.351	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(F)c(F)c1)NC1CCCC1	65833087	RVYGRNVCGWTCJJ-UHFFFAOYSA-N	319.333	1.400	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(c2ccc(Cl)cn2)CC1	178960935	BXXQAVCBLOWSQY-VAWYXSNFSA-N	320.780	1.828	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1ccc2ccccc2c1	66703831	IYEQSYQSIWBUQG-UHFFFAOYSA-N	301.346	1.707	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccc(N2CCCC2)nc1	123132801	TUBCZDXRQPQDRF-UHFFFAOYSA-N	302.313	1.368	50	20	DDGD	
CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NNc1ccc(F)cc1	120602004	HTTXNMSORHXPJA-NSHDSACASA-N	317.386	1.233	50	20	DDGD	
NC(=O)c1ccc(NC(=O)NNc2ccc(Cl)nn2)cc1	123875725	LNLORRSTCUIBID-UHFFFAOYSA-N	306.713	1.378	50	20	DDGD	
C[C@@H](C[S@](C)=O)NC(=O)NNc1ncnc2ccsc12	183648320	OKYWVPJIGFECSD-JKNYTWMOSA-N	313.408	1.084	50	20	DDGD	
O=C(NNC(=O)c1cnc2ccc(F)cc2c1)c1ccncc1	121367682	XNIZOAMAYCJTDW-UHFFFAOYSA-N	310.288	1.844	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNC(=O)c2cnn(C)c2)cc1	186355757	UZZROBNORHEPQB-UHFFFAOYSA-N	301.306	1.089	50	20	DDGD	
C/C=C/C[C@H](CO)NC(=O)NNC(=O)c1cc2ccccc2o1	185796085	HQVZXMAVCHEIOX-QAVQXKDTSA-N	317.345	1.704	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2CCCC[C@@H]2C)n1	70739527	NZQPMSNEOZCOHM-NSHDSACASA-N	310.423	1.016	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)CCSc1ccccn1)C1CC1	124106081	BUHDHYRHRRUPGC-JTQLQIEISA-N	324.475	1.858	50	20	DDGD	
COc1cccc(NNC(=O)c2cccc(C[S@@](C)=O)c2)n1	180724580	KISOEBNIWWQFIW-JOCHJYFZSA-N	319.386	1.726	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Nc2cc(C)ccn2)c1	184260927	QTLBVAUTXRRILU-UHFFFAOYSA-N	314.345	1.930	50	20	DDGD	
CC(C)CC(=O)NCCC(=O)NNc1nnc(C2CC2)s1	184495843	GZUJDLDUTYRLTJ-UHFFFAOYSA-N	311.411	1.411	50	20	DDGD	
O=C(NCc1ccncc1)NNC(=O)c1ccc2ccccc2n1	42891455	PMWWCHXKCOIIRX-UHFFFAOYSA-N	321.340	1.774	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NC[C@H]1CCCCO1	139648845	GFAZTXOMLIASJI-CYBMUJFWSA-N	309.341	1.268	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](C)Cc1c(C)nn(C)c1C	131909177	IRPZHJYDKKQLTF-VIFPVBQESA-N	318.381	1.157	50	20	DDGD	
COc1nccnc1NNC(=O)CCCc1csc(C)n1	131901956	ZYYYROIPBWVGIZ-UHFFFAOYSA-N	307.379	1.716	50	20	DDGD	
CCCNC(=O)CNS(=O)(=O)c1ccc(CCl)cc1	381753835	UVHMJKAHEIKVFI-UHFFFAOYSA-N	304.799	1.230	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)C[C@@H]1CCCCO1	86990442	ONITZPRPTJYLMV-ZDUSSCGKSA-N	310.325	1.311	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)n1	246805446	BXSATPCZAKQORK-MISXGVKJSA-N	321.425	1.655	50	20	DDGD	
Cn1cc(Br)c(C(=O)NCC(Cl)Cl)n1	297075181	LSEBXOZQMLLRTF-UHFFFAOYSA-N	300.971	1.716	50	20	DDGD	
O=C(NN=Cc1c(O)ccc2ccccc12)C(=O)N1CCCC1	254677386	IKCGURZWWIJFOS-UHFFFAOYSA-N	311.341	1.618	50	20	DDGD	
CC(C)COc1ccc(C(=O)NNC(=O)C(=O)NC(C)C)cc1	263808935	MDZGANVYKFBRDS-UHFFFAOYSA-N	321.377	1.007	50	20	DDGD	
CC(=O)c1cccc(C(=O)NNC(=O)Cn2nc(C)cc2C)c1	268699036	DLLXQHQEERDOSP-UHFFFAOYSA-N	314.345	1.164	50	20	DDGD	
COc1ccc(OC(F)F)c(NC(=O)NNC(=O)C2CC2)c1	273238629	SZBNIOXKUXDMSM-UHFFFAOYSA-N	315.276	1.859	50	20	DDGD	
O=C1CCCC[C@H]1[C@@H]1CCCN1S(=O)(=O)CBr	364904865	JTSGJTKNZJNZMB-UWVGGRQHSA-N	324.240	1.892	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(C)ccc1Cl	276349316	ZEGNVFAZGADBGB-UHFFFAOYSA-N	312.757	1.279	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(-c2nnc(C)o2)cc1	271341012	JNNQNUODLQURHQ-UHFFFAOYSA-N	303.322	1.351	50	20	DDGD	
CC(C)=CCNC(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C	276799880	RZRBZLGJTABCGW-SNVBAGLBSA-N	314.386	1.196	50	20	DDGD	
CC(=O)CSCC(=O)NNc1cccc(F)c1[N+](=O)[O-]	279135894	BQDMLSSCOWEJNI-UHFFFAOYSA-N	301.299	1.499	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)C[C@@H]1CCCO1	270697599	ZHYOHVABAKVYJR-NSHDSACASA-N	324.402	1.504	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)c1	272009666	KBUQUNJLFIESMD-KGYLQXTDSA-N	310.375	1.101	50	20	DDGD	
CSSCCNC(=O)N1CCO[C@@]2(CCO[C@@H]2C)C1	375127943	JKLNTDQBVPESHI-PWSUYJOCSA-N	306.453	1.587	50	20	DDGD	
CC(=O)N1CC[C@@](C)(C(=O)NNC(=O)Nc2ccccc2C)C1	370567371	FUJKPXKBNICYNE-MRXNPFEDSA-N	318.377	1.406	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	281314163	ZJDMXWORNAAPFH-OAHLLOKOSA-N	308.334	1.034	50	20	DDGD	
COC(=O)N(C)NC(=O)COc1ccc(C(F)(F)F)cc1	286526308	XXEKWQIUTNDCPK-UHFFFAOYSA-N	306.240	1.814	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNC(=O)Nc1cccc(Cl)c1	283643860	COFLLODBWVJHKR-QMMMGPOBSA-N	313.741	1.692	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)CCc1ccccc1O)C(F)(F)F	288933046	VWHVJUCCJMUILU-MRVPVSSYSA-N	319.283	1.606	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)c1cccc(C)n1)c1ccco1	280437557	XWOJHZJKPUVWMU-LBPRGKRZSA-N	318.333	1.315	50	20	DDGD	
COC(=O)N(C)NC(=O)c1nc(Br)sc1C	286450909	SHSKIKVVQPIJLW-UHFFFAOYSA-N	308.157	1.557	50	20	DDGD	
O=C(NCc1noc2c1CCCC2)NNc1cncc(Cl)n1	288831747	MJAAGQAHFUAXAU-UHFFFAOYSA-N	322.756	1.823	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)c1cc2ccccc2cc1O)C1CC1	280702487	WZFQWSZZRIKLHL-HNNXBMFYSA-N	314.341	1.731	50	20	DDGD	
CCCN(NC(=O)c1cncc(OC)n1)C(=O)OC(C)(C)C	286655553	XZBUYLPMVOYVCC-UHFFFAOYSA-N	310.354	1.777	50	20	DDGD	
CC(C)[C@H](O)C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	291501684	VKUCYWGBGRFLII-ZANVPECISA-N	310.419	1.651	50	20	DDGD	
Cc1ccc2ncc(C(=O)NNC(=O)OC(C)(C)C)c(=O)n2c1	298265977	BBEOMRVUJQBPRF-UHFFFAOYSA-N	318.333	1.172	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)CC2CCCC2)n1C	295317603	SKGZSMMJPCJGIN-UHFFFAOYSA-N	307.350	1.153	50	20	DDGD	
C[C@@H]1C(=O)Nc2cc(C(=O)NCC(Cl)Cl)ccc2N1C	808131138	IPKNXJVVJGHLNK-SSDOTTSWSA-N	316.188	1.997	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802102069	BSEDSMXIEPQTBH-NSHDSACASA-N	311.363	1.710	50	20	DDGD	
CC(C)OCCNC(=O)NNC(=O)Nc1cc(F)cc(F)c1	296536124	DWFMJKBNBPDLPU-UHFFFAOYSA-N	316.308	1.726	50	20	DDGD	
O=C(Cc1ccc2c(c1)NC(=O)C2)NNc1ncccc1F	804212906	CWWXWTOTJDXSDX-UHFFFAOYSA-N	300.293	1.401	50	20	DDGD	
CC(C)(CCC#N)CNC(=O)NNC(=O)c1ccccc1O	807591532	MBZNOPNIGAPOSM-UHFFFAOYSA-N	304.350	1.666	50	20	DDGD	
C[C@H]1CCCN(C(C)(C)CNC(=O)NNc2ccncn2)C1	296357080	NLBHXYUSYATHTG-LBPRGKRZSA-N	306.414	1.613	50	20	DDGD	
CC(=O)c1cc(NC(=O)NNC(=O)c2cc(C)[nH]n2)ccc1F	806569900	KBQWENQRYQZDOL-UHFFFAOYSA-N	319.296	1.526	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)NCCc2cccs2)nn1	807965907	MXWGOTBAXZPASM-UHFFFAOYSA-N	306.395	1.796	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1cccc([N+](=O)[O-])c1C)C1CC1	297277093	GAZIDOOTEPMMAW-ZDUSSCGKSA-N	308.338	1.954	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H](C)Cn2ccnc2)cc(C#N)n1C	299006840	KKBYXXLWDACSSN-BYQGBLLGSA-N	322.372	1.514	50	20	DDGD	
Cc1cccnc1C(F)(F)C(=O)NNC(=O)[C@H]1CCCCO1	295652325	VDABZNBKQVCSDJ-SNVBAGLBSA-N	313.304	1.198	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc2ccccc2nc1O	295638021	TVBSCHFCTZFJFS-ZDUSSCGKSA-N	315.329	1.271	50	20	DDGD	
CSSCCNC(=O)N[C@H]1CCCC2(C1)OCCO2	807227870	ISZPQORILOKVRX-JTQLQIEISA-N	306.453	1.983	50	20	DDGD	
CC(C)(C)[S@@](=O)CCNC(=O)NNc1cccc(Cl)n1	292591415	GNPSYNQVHBOYQQ-FQEVSTJZSA-N	318.830	1.908	50	20	DDGD	
Cc1cc(O)nc2cc(C(=O)NNC(=O)c3cccn3C)ccc12	808038834	UYVXAHGGEMVNFZ-UHFFFAOYSA-N	324.340	1.662	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-]	294710509	LUCXXWYTNQAQGG-UHFFFAOYSA-N	320.227	1.530	50	20	DDGD	
Cc1cccc([C@@H](C)C(=O)NNC(=O)N2CCN(C)CC2)c1	807381917	OTKPUGOKVTZDFL-CYBMUJFWSA-N	304.394	1.087	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H](C)Cc2cccc(F)c2)O1	294170180	IUYKGWCYRQSIJW-MJVIPROJSA-N	308.353	1.719	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CCc1cnccn1	805380811	IMQFWXZBPWGLTC-UHFFFAOYSA-N	301.306	1.769	50	20	DDGD	
CC(=O)C1(C(=O)NNC(=O)COc2ccc(C)c(C)c2)CC1	814720962	YSKAGUJTVKLYIJ-UHFFFAOYSA-N	304.346	1.199	50	20	DDGD	
C[C@@H](CC(=O)NN(C)C1CC1)S(=O)(=O)c1ccc(F)cc1	819647188	JBTHHXWIQCKDSY-JTQLQIEISA-N	314.382	1.503	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1cc(OC(F)F)n(C)n1	816628267	NURLKFCTEMYEDX-UHFFFAOYSA-N	302.108	1.897	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)[C@@H]1CC2CCC1CC2	815509444	IOVZXJFCDVZJIP-WXRRBKDZSA-N	318.373	1.745	50	20	DDGD	
Cn1cnc(C(=O)NNc2cc(C(F)(F)F)ccc2F)n1	810719878	BMZLGBSHKXGMBN-UHFFFAOYSA-N	303.219	1.730	50	20	DDGD	
CCOc1ccc(NNC(=O)C(=O)Nc2cnccc2C)cc1	815816747	KVSJNMPZUQJXOW-UHFFFAOYSA-N	314.345	1.871	50	20	DDGD	
COc1ccc(NC(=O)NN=C2CCN(CCO)CC2)cc1	819812505	CWPSFQMWBVEGPJ-UHFFFAOYSA-N	306.366	1.261	50	20	DDGD	
C[C@@H](Sc1nnnn1C1CC1)C(=O)NCC(Cl)Cl	819795608	YZVWUMSHMZKTDO-RXMQYKEDSA-N	310.210	1.409	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2CC[C@@H](C(=O)O)[C@H](C)C2)n1	814753339	UJZHOGWYXRWUPS-NOZJJQNGSA-N	306.366	1.493	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cnc2c(F)ccc(F)c2c1	816359945	JWINYVKSPCRIKN-UHFFFAOYSA-N	309.272	1.045	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCSC)cc1OC	726278822	KRXGXEXDUGZDAW-UHFFFAOYSA-N	313.379	1.011	50	20	DDGD	
COC(=O)N(C)N=C1CCS(=O)(=O)c2cc(F)c(F)cc21	495747533	QOAXNTJATVLJCZ-UHFFFAOYSA-N	318.301	1.545	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)Cc2ccccc2OC)nc1	728816677	QIVCUNNWYQOXOP-UHFFFAOYSA-N	309.325	1.075	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)COCc1nc2ccccc2s1	823988702	VRJCIESNUOWUOZ-SNVBAGLBSA-N	309.391	1.157	50	20	DDGD	
C[C@H]1CC2(CCOCC2)CN1C(=O)NNC(=O)C1CCCC1	826624321	SJWPQTPAECVSEZ-LBPRGKRZSA-N	309.410	1.808	50	20	DDGD	
CCCONC(=O)NNC(=O)CCSc1ccc(F)cc1	828227271	PIEGEIYUXONMPH-UHFFFAOYSA-N	315.370	1.980	50	20	DDGD	
CCN(Cc1ccccn1)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	827288928	PTLHNMNJPKZFNA-AAEUAGOBSA-N	306.366	1.069	50	20	DDGD	
Cc1cc([C@@H](C)NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)ccc1F	826887331	CTIWLEOFZWODCD-NQBHXWOUSA-N	323.368	1.951	50	20	DDGD	
Cc1cc(C(=O)NN(C)[C@H](C)CO)nn1-c1ccc(F)cc1	823939516	LGLLGCNZTQQNKT-LLVKDONJSA-N	306.341	1.277	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=C1CCOC1(C)C	497234622	AOXIJIRSCIPKGT-LLVKDONJSA-N	323.393	1.574	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1	823977425	WSEFPDYHHBRPPF-JTQLQIEISA-N	309.366	1.850	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](C)[C@@H]1CCCN(C(=O)OCC)C1	490905775	AQJQZPWBCQIPEK-RTMZJCHWSA-N	323.393	1.804	50	20	DDGD	
CC(C)N(CC(=O)NNC(=O)C1CCC1)C(=O)OC(C)(C)C	827216486	XPCDNWMNDXPQEZ-UHFFFAOYSA-N	313.398	1.579	50	20	DDGD	
CCc1csc(-n2cc(C(=O)NN(C)C(=O)OC)cn2)n1	496483044	XGVUYTTYGOEXHQ-UHFFFAOYSA-N	309.351	1.234	50	20	DDGD	
COC(=O)C1(C)CN(C(=O)/C(C#N)=C/c2ccc(F)cc2)C1	491014881	YVFYVQKSCDQKGJ-KPKJPENVSA-N	302.305	1.754	50	20	DDGD	
CCO[C@@H]1CCCC(=NNC(=O)[C@H](C)CN2CCOCC2)C1	905428675	AEBJIUKQIIXKFL-UKRRQHHQSA-N	311.426	1.406	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCCOc1ccc(Cl)cc1	823970335	FHOOWYZFFSAMCZ-LLVKDONJSA-N	300.786	1.843	50	20	DDGD	
CC[C@H](c1ccncc1)N(C)C(=O)c1cc(B(O)O)ccc1F	584950731	SOUVLUHYPQMHIT-OAHLLOKOSA-N	316.141	1.124	50	20	DDGD	
Cc1cccc2oc(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)cc12	823475603	QJUDAQNMNKTFPT-GHMZBOCLSA-N	302.330	1.927	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1F	824771261	LEBYFJURLOBWMQ-VHSXEESVSA-N	320.324	1.931	50	20	DDGD	
CC[C@](O)(C(=O)NN(C)[C@@H](C)CO)c1cccc(Cl)c1	823924244	YRJWNCHVSKONCP-IINYFYTJSA-N	300.786	1.281	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(F)c(NC(=O)OC)c1	491075639	JSDBLUKBSWVYFP-UHFFFAOYSA-N	300.246	1.397	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H]1Cc2ccccc2[C@H]1N	903550092	NSTCVRYMZUZRJE-CHWSQXEVSA-N	316.854	1.796	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccco1	495944417	WBYYCLZYEFCYKW-LBPRGKRZSA-N	305.334	1.646	50	20	DDGD	
CCn1c(NNC(=O)C[C@@H]2CCOC2)nc2ccccc2c1=O	739689563	LPCBKNOEGZMLRN-NSHDSACASA-N	316.361	1.286	50	20	DDGD	
COc1ccc(C(=O)NN(C)[C@H](C)CO)cc1OC1CCCC1	823935673	VICNKUFTZTWCBB-GFCCVEGCSA-N	322.405	1.974	50	20	DDGD	
CC(C)[C@@H](NCc1cccc(B(O)O)c1)c1nc(C2CC2)no1	585032404	HMHGLIBSOPEPKZ-CQSZACIVSA-N	315.182	1.114	50	20	DDGD	
C[C@@H](CC(=O)N1CC[C@H](B(O)O)C1)C(=O)c1cccc(F)c1	585064924	CBGOXUGCUCFPPB-JQWIXIFHSA-N	307.130	1.110	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C(C)c1cnccn1	734745646	XBAVYVGRBNHHAT-UHFFFAOYSA-N	314.345	1.795	50	20	DDGD	
Cc1ccc([C@H]2CCCN(C(=O)c3ccc(B(O)O)cc3)C2)cc1	584942299	RYUNUTXDVZECTG-KRWDZBQOSA-N	323.201	1.695	50	20	DDGD	
Cn1cc(C(=O)N2CC[C@@H](B(O)O)C2)c(C2CCCCC2)n1	585071674	ZATTWKIIVORNPA-GFCCVEGCSA-N	305.187	1.157	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ncoc1C(C)C	731978020	ILMGRNKZMAGOQM-UHFFFAOYSA-N	317.345	1.810	50	20	DDGD	
O=C(CCn1cc(Br)cn1)NCC(Cl)Cl	837648333	DFLNKSINKUXEFQ-UHFFFAOYSA-N	314.998	1.956	50	20	DDGD	
CC[C@@](C)(CNC(=O)NNC(=O)Cc1ccccc1F)OC	836580190	UBKZQLQNQUWQDH-HNNXBMFYSA-N	311.357	1.514	50	20	DDGD	
CC[C@@H](CC(F)(F)F)c1nc(-c2ccc(B(O)O)cc2)no1	585053904	ITIRMRZWSXJNEX-QMMMGPOBSA-N	314.072	1.862	50	20	DDGD	
CN1CCC[C@H](CCNC(=O)NNc2ccc(Cl)nn2)C1	838767741	LXFQUHQPBWAIRH-SNVBAGLBSA-N	312.805	1.488	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC[C@@H]2CCC=CO2)cc1F	838568224	WJAWRGRTJSAETJ-NSHDSACASA-N	323.324	1.931	50	20	DDGD	
CCc1nnc(C(=O)NNC(=O)Cc2ccccc2OC)s1	908274573	USMLTXLOMRKBJL-UHFFFAOYSA-N	320.374	1.113	50	20	DDGD	
CCn1nc(C2CC2)cc1C(=O)NNC(=O)[C@@H]1CCCCO1	908516657	FEDKUZZFOPWXPE-ZDUSSCGKSA-N	306.366	1.111	50	20	DDGD	
C[C@]1(CNC(=O)c2cccc(B(O)O)c2)CCCc2ccccc21	584969713	IBOLNZHDMNXPBW-LJQANCHMSA-N	323.201	1.390	50	20	DDGD	
O=C(NCC[C@H]1C[C@H]2CC[C@H]1O2)NNC(=O)c1ccccc1	838752238	BSMMLYNMJNVVQI-BFHYXJOUSA-N	303.362	1.588	50	20	DDGD	
C=C[C@@H]1OCCC[C@H]1NCC(=O)NNC(=O)c1ccc(C)cc1	831829940	PMBQTYMXUUFSTK-CABCVRRESA-N	317.389	1.079	50	20	DDGD	
CCC(CC)[C@H]1C[C@H](NC(=O)c2cccc(B(O)O)c2)CCO1	584971865	GNRVCJKTDMLBTN-HZPDHXFCSA-N	319.210	1.080	50	20	DDGD	
CC(C)Oc1cc(NC(=O)NNC(=O)[C@@H]2CCCCO2)ccn1	836546064	FEUHQJMQSHUACH-LBPRGKRZSA-N	322.365	1.591	50	20	DDGD	
CC(C)CO[C@@H](C)C(=O)NNc1nc2ccccc2c(=O)n1C	733261397	PKNNMGFDMCYECT-NSHDSACASA-N	318.377	1.438	50	20	DDGD	
CC(C)[C@H](NCc1ccc(B(O)O)cc1F)c1ccccc1	585015271	VNJOUQXKLQTWFA-KRWDZBQOSA-N	301.170	1.992	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CCc1ccc(C(=O)O)cc1	736283987	RHFXCQHHQLJQQG-UHFFFAOYSA-N	308.334	1.873	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1cccc(C)c1	916364115	CVEGCAPATDJXCN-CQSZACIVSA-N	303.406	1.804	50	20	DDGD	
Cc1nn(-c2ccccc2)c(C)c1CC(=O)NN(C)C[C@H](C)O	910177507	LXCJEHJEGBURDL-LBPRGKRZSA-N	316.405	1.375	50	20	DDGD	
C[C@]1(C(=O)NCc2cc(O)nc(S)n2)C[C@@H]1Br	911853842	FLPYXTFZEKHCNN-WKEGUHRASA-N	318.196	1.261	50	20	DDGD	
Cn1cc(CCC(=O)NNc2ncccc2C(F)(F)F)cn1	740087296	NAIZAXZBUKWLNQ-UHFFFAOYSA-N	313.283	1.910	50	20	DDGD	
CCCCc1noc(COC(=O)/C(C#N)=C/c2cnn(C)c2)n1	837969391	NFWOAIMPGWYUPG-WUXMJOGZSA-N	315.333	1.796	50	20	DDGD	
CC(C)[C@@H](C(=O)NN(C)C[C@H](C)O)N1Cc2ccccc2C1=O	910140065	GQOUKKJKAPWUQS-WFASDCNBSA-N	319.405	1.011	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1cncnc1C1CC1	836773193	GWYMQHVPDHZDOH-UHFFFAOYSA-N	310.357	1.666	50	20	DDGD	
CCC[C@@H](OC)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	837797295	RLHDFQQXUFBGOX-CYBMUJFWSA-N	322.361	1.114	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2ccc(Cl)nc2)C(=O)OC1(C)C	748565210	WYUNLACAGBQALH-UHFFFAOYSA-N	323.736	1.148	50	20	DDGD	
CC(C)[C@]1(C)C[C@@H]1NC(=O)NNc1ccc(-n2ccnc2)nn1	841590041	OREBCWGLNCCVSE-NHYWBVRUSA-N	315.381	1.723	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@]2(Cl)C[C@H]3CC[C@H]2O3)c1	912980084	OSZQIDNVNWFRQK-ZDSQKVDBSA-N	314.794	1.746	50	20	DDGD	
CC(C)[C@@H](N)CNC(=O)NNC(=O)Nc1cc(F)cc(F)c1	841944572	LRJFKMGIJPIPQD-NSHDSACASA-N	315.324	1.284	50	20	DDGD	
Cc1ccc(-n2[nH]c(C(=O)NNc3ncccn3)cc2=O)cc1	746115992	FCZMSJWHGUVURS-UHFFFAOYSA-N	310.317	1.021	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2nnc(O)c3ccccc23)CCC1	747377113	ZUOJUIGGMFJKFG-UHFFFAOYSA-N	312.329	1.597	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H](C)OCC(C)C)cc1	915261759	WJXNUNBUQGOEAK-ZDUSSCGKSA-N	308.378	1.582	50	20	DDGD	
C[C@H](CNC(=O)NNc1ccccc1OC(F)(F)F)C(=O)O	848588775	YMVZBTFXVOIZAW-SSDOTTSWSA-N	321.255	1.932	50	20	DDGD	
CC(Cc1ccccc1C)=NNC(=O)[C@H]1CCS(=O)(=O)C1	743433281	AKRXRUAHBBRUPA-AWEZNQCLSA-N	308.403	1.464	50	20	DDGD	
N#CCN1CCC(NC(=O)NNc2ccc(Cl)nc2)CC1	745807918	BKAWURSRSOFGFG-UHFFFAOYSA-N	308.773	1.349	50	20	DDGD	
COCCN1[C@H]2CC[C@H]1CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)C2	842548591	ACUQCSIWEFXDFS-UQOMUDLDSA-N	309.410	1.157	50	20	DDGD	
CC(C)[C@](C)(O)C(=O)NNc1ncc(Br)cn1	848322130	QVVHYSBEWMJMQP-JTQLQIEISA-N	303.160	1.089	50	20	DDGD	
CO[C@H]1CCCCC1=NNC(=O)[C@@H]1COc2ccccc2O1	915941410	NCFQSRVRLCHKJJ-WFASDCNBSA-N	304.346	1.888	50	20	DDGD	
Cc1cnc(CCNC(=O)NNc2nc(C)cc(C)n2)c(C)c1	847412863	CLLITVCHEXZNDQ-UHFFFAOYSA-N	314.393	1.974	50	20	DDGD	
CCc1c(C(=O)NNC(=O)C(C)C)cnn1Cc1ccccc1	915287368	KJSPJVJTAHZTCX-UHFFFAOYSA-N	314.389	1.911	50	20	DDGD	
CN(CCO[Si](C)(C)C(C)(C)C)[C@H]1CCC(=O)NC1=O	844344318	XFOUZLWOYBHFRI-NSHDSACASA-N	300.475	1.745	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)CSc2ccccc2O)[C@H]1OC	841640378	JMGKDIORYYEVRA-IUODEOHRSA-N	324.402	1.780	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccc(C(=O)O)c(F)c1	842560047	DTGHUKKUPDTUIE-MWLCHTKSSA-N	308.309	1.789	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C[C@@H]1CCc2ccccc2C1	843651860	PLSGHEIZEVRSHD-ZENOOKHLSA-N	316.401	1.754	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@H](CC(C)C)OC)cc1	846376868	IMVXQMDHBHNMLM-AWEZNQCLSA-N	308.378	1.906	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc2ccccc2n1C	843646365	PQISKKLHTVGACY-PWSUYJOCSA-N	301.346	1.364	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)[C@@H]1CCC(=O)C1	843841355	AHAHAWZJCATHPF-SNVBAGLBSA-N	322.386	1.304	50	20	DDGD	
COC(=O)COc1ccc(C=NNC(=O)[C@@H]2CCO[C@H]2C)cc1	842550708	AALJIDAHPQJTFT-SMDDNHRTSA-N	320.345	1.114	50	20	DDGD	
O=C(NNc1cccc(F)c1F)[C@@H]1CCc2nnnn2CC1	845857618	PEACPJNHZSJHQM-MRVPVSSYSA-N	308.292	1.047	50	20	DDGD	
C[C@H]1C(=O)Nc2cc(C(=O)NNc3cnccn3)ccc2N1C	750236255	NUTHKLVEYCQGLP-VIFPVBQESA-N	312.333	1.010	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1c(C)nc2ccccc2c1C	854919701	BLXSWHPEQQNFDP-UHFFFAOYSA-N	302.403	1.933	50	20	DDGD	
O=C(CCC[C@H](O)c1ccccc1)NNC(=O)c1ccnnc1	854969186	YNWJENXMARSNHM-AWEZNQCLSA-N	314.345	1.142	50	20	DDGD	
CCOCC(=O)NN=C(C)c1ncc(Br)s1	756889225	IRMIISVEOHHIFA-UHFFFAOYSA-N	306.185	1.782	50	20	DDGD	
CO[C@@H](CC(=O)NNC(=S)NCC1CCC1)C(F)(F)F	855092865	RUSUCLUWMOVCER-QMMMGPOBSA-N	313.345	1.249	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NNC(=O)CC2CC2)cc1Cl	756140760	WVHUKJVWQMADRO-UHFFFAOYSA-N	324.768	1.652	50	20	DDGD	
Cc1ncoc1CNC(=O)NNC(=O)c1cccc(N(C)C)c1	923813851	ZFQWQEJDKYZNAR-UHFFFAOYSA-N	317.349	1.193	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C2(C#N)CC(C)C2)c1	757628065	SRFYUKOBJWUGTM-UHFFFAOYSA-N	315.373	1.770	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCCOc1ccc(F)cc1F	854925854	NTCKBEVPHVSTSN-UHFFFAOYSA-N	317.361	1.591	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)c1nccn1C	755748542	CGNHCHICGSKBNB-UHFFFAOYSA-N	301.306	1.664	50	20	DDGD	
C[C@H]1COC[C@H]1NC(=O)NNC(=O)c1cc2ccccc2o1	926009730	KUYHAYNATIQYTO-GXSJLCMTSA-N	303.318	1.412	50	20	DDGD	
CC[C@]1(C)CCN(CC(=O)NNC(=O)c2cccc(C)c2)C1	758742133	UGSHAHYUDCEQHS-QGZVFWFLSA-N	303.406	1.878	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)C1	858985665	LCHDCXBEBZMLPW-PCXNPWDESA-N	321.421	1.711	50	20	DDGD	
CNC(=S)N(C)NC(=O)/C=C\c1cnc(C(C)(C)C)s1	854924986	YYIUBJMMWVWQQI-SREVYHEPSA-N	312.464	1.921	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCO[C@H]2CCOC2)cc1	927522304	LGEUYNFZIFUNCE-AWEZNQCLSA-N	309.366	1.517	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H](N2CCCCC2)C1)C1CCCC1	753338068	BXSZLKUTEHORON-AWEZNQCLSA-N	308.426	1.478	50	20	DDGD	
CCOCCn1cc(C(=O)NNc2cc(Cl)ccn2)cn1	857174430	OAEJOJQPOAABIC-UHFFFAOYSA-N	309.757	1.725	50	20	DDGD	
CCN(CC)C(=O)CCCC(=O)NNc1ncc(Cl)cn1	857355904	BJIKJKCZQZBZRT-UHFFFAOYSA-N	313.789	1.612	50	20	DDGD	
C[C@@H]1C[C@@H]1c1ccc(CNC(=O)NNC(=O)c2cn[nH]c2)o1	858148010	IEJVZVRQODVFSP-KCJUWKMLSA-N	303.322	1.270	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@@H](C)[C@@](C)(CO)C1	856249356	WHNCCUYFRITJSY-MEBBXXQBSA-N	313.829	1.829	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H]1CCCCCC(=O)C1)C1CC1	855097093	JEDRYUXMQLHVBD-JQWIXIFHSA-N	311.451	1.820	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)C(=O)NNC(=O)c1cccc(F)n1	856425051	XPLZEHUIVVMYDZ-SSDOTTSWSA-N	305.313	1.125	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cnc2n1CCCCC2	856759604	WHNYYLSKACOMEQ-UHFFFAOYSA-N	312.373	1.993	50	20	DDGD	
COCCn1cc(C(=O)NNc2ncc(Cl)cn2)c(C)n1	857357450	RZJWDJIVEPZHIX-UHFFFAOYSA-N	310.745	1.038	50	20	DDGD	
Cn1c(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc2ccccc21	853284542	FZIKYQYPTZEJOV-GFCCVEGCSA-N	319.386	1.063	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CCc2ccccc21	852395054	ZIQUAVVWPJZBTP-SCDSUCTJSA-N	303.362	1.429	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)NCCC2CCC2)cc1	756117799	AJDMPFJVTRSHJH-UHFFFAOYSA-N	321.377	1.595	50	20	DDGD	
Cc1ccc(OCCCC(=O)NNC(=O)c2cn[nH]c2)cc1C	862472667	QFFOAIMYIXFTFT-UHFFFAOYSA-N	316.361	1.647	50	20	DDGD	
COCC[C@H]1COCCN1S(=O)(=O)CC(C)(C)CCl	867289475	NEKZMMGALVQHQX-NSHDSACASA-N	313.847	1.319	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1c(C(F)F)nc2ccccn12	865015949	QHISUDODILONAQ-UHFFFAOYSA-N	323.303	1.626	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1ccc(F)c2occc12	931114408	RMHOKNNBQWOBGV-UHFFFAOYSA-N	307.281	1.259	50	20	DDGD	
CSc1ccc(CCC(=O)NNC(=O)c2cnn(C)c2)cc1	933088184	KFGCEGKLZMGJLD-UHFFFAOYSA-N	318.402	1.536	50	20	DDGD	
CC(CCc1ccccc1[N+](=O)[O-])=NNC(=O)[C@@H]1CCC(=O)N1	863148773	JXBNZRSDERTQHV-LBPRGKRZSA-N	318.333	1.298	50	20	DDGD	
CNc1nc(C(=O)NNC(=O)C(C)(C)c2ccccc2)cs1	762246813	MJIZPDHIIQPGFM-UHFFFAOYSA-N	318.402	1.924	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1nc(Cl)sc1C	763276242	GCVBFTVTKCIVSH-RXMQYKEDSA-N	319.770	1.208	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NN=c2cc[nH]c(C)c2)C1	862511706	YLIYKYYAAIKUOQ-TZMCWYRMSA-N	318.421	1.540	50	20	DDGD	
CNC(=S)NNC(=O)c1cc(-c2cc(C)ccc2C)[nH]n1	764498330	UESREQFLWQUDJJ-UHFFFAOYSA-N	303.391	1.432	50	20	DDGD	
C[C@@H]1CCC[C@H]1NC(=O)NNc1ccccc1S(C)(=O)=O	765755008	BEZOLRNNBRYCBX-GHMZBOCLSA-N	311.407	1.905	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1cn(C2CCOCC2)nn1	1117727142	MWWWLRFTLIFBFH-UHFFFAOYSA-N	322.756	1.435	50	20	DDGD	
COC(=O)CCCC(=O)NNC(=O)c1nc2ccccc2s1	874913686	IEKIPIVKHWGDQB-UHFFFAOYSA-N	321.358	1.401	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)ccc1O)c1ccc(O)c(F)c1	768686759	ONOPQWSSJSTMKB-UHFFFAOYSA-N	324.695	1.965	50	20	DDGD	
CCN1C[C@H](C)N(C(=O)NNC(=O)c2ccccc2)C[C@@H]1C	765647292	ITCIGDNMKFVLSA-STQMWFEESA-N	304.394	1.456	50	20	DDGD	
CCN1C(=O)CCc2cc(NC(=O)NN(C)C(=O)OC)ccc21	879194725	VMQSPVPMLGCACR-UHFFFAOYSA-N	320.349	1.720	50	20	DDGD	
C[C@@H](CBr)COC(=O)CNC(=O)c1ccccn1	770380254	FYPHRFVHHLZWCQ-VIFPVBQESA-N	315.167	1.386	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(C2CC2)[nH]n1	771986839	ZNHPCKSDXPIZQM-SECBINFHSA-N	322.365	1.026	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@H](C)[C@@H]1CN(C)CCO1	771340125	GLXBABMDPLAANC-YPMHNXCESA-N	310.373	1.479	50	20	DDGD	
N#Cc1ccsc1NC(=O)C(=O)NNc1nccnc1Cl	1117713247	OQWYGRZMXBAIPK-UHFFFAOYSA-N	322.737	1.145	50	20	DDGD	
Cc1ccn(-c2cccc(C(=O)NNC(=O)C(C)(C)C)c2)n1	1115907584	WHMLXMRDVYCBLY-UHFFFAOYSA-N	300.362	1.988	50	20	DDGD	
CCc1ncncc1C(=O)NNc1ccnc(Br)c1	771562117	VGAZQSRCYJOPGQ-UHFFFAOYSA-N	322.166	1.953	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)NOC2CCCC2)cc1	774808784	ILRIEDFXXHKCRG-UHFFFAOYSA-N	321.381	1.963	50	20	DDGD	
CCc1cc(C(=O)NNc2ccccc2C(=O)OC)cc(O)n1	778420387	VIYSQYPMKMPMBF-UHFFFAOYSA-N	315.329	1.893	50	20	DDGD	
Cc1nccc(NC(=O)NNC(=O)Cn2ccc3ccccc32)n1	776496042	PCWDQFBMQXZCQB-UHFFFAOYSA-N	324.344	1.593	50	20	DDGD	
CC(C)C(=O)NNC(=O)CNC(C)(C)c1ccc(F)cc1F	886896640	PQQXMOVWOAMYPN-UHFFFAOYSA-N	313.348	1.593	50	20	DDGD	
CCCc1nc(C)c(NC(=O)C(=O)NNC(=O)C2CCC2)s1	777143299	JHIHUYLYBIOGIG-UHFFFAOYSA-N	324.406	1.290	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)COc2ccc(C)cc2)o1	770814372	ZWFFRMZJQXFOQA-UHFFFAOYSA-N	316.313	1.631	50	20	DDGD	
CCCc1nc(C)c(NC(=O)NNC(=O)COCC)s1	777016605	RGCUIOLOCCPLIE-UHFFFAOYSA-N	300.384	1.593	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)COC1(C)CCC1	772212167	COZGEKSHCQNSDU-NSHDSACASA-N	314.382	1.071	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)cc1O	882048989	WBEGGBQKRULGCS-AVGNSLFASA-N	319.405	1.723	50	20	DDGD	
CCc1ccc(CCC(=O)NNC(=O)C2CCOCC2)cc1	883060126	YGFPBFFVAFJCIR-UHFFFAOYSA-N	304.390	1.756	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)C2CCOCC2)CC1(Cl)Cl	883675415	INUYQASULXQBTF-LLVKDONJSA-N	324.208	1.327	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@@H](c1ccccc1)N(C)C	887148216	SMXSLTCMLCFGSB-HNNXBMFYSA-N	301.390	1.630	50	20	DDGD	
Cn1nc(C(=O)NN=C[C@H]2CCSC2)c2ccccc2c1=O	782151306	BOOURVPUWBLAQP-SNVBAGLBSA-N	316.386	1.402	50	20	DDGD	
COCC(=O)Nc1ccc(NC(=O)NN=c2cc[nH]cc2)cc1	782016527	RPBNMYYXNSVESL-UHFFFAOYSA-N	315.333	1.237	50	20	DDGD	
CC(C)[C@@H](F)C(=O)NNC(=O)Cc1nc2ccccc2n1C	784142288	IFHXDTKBPFCMBF-CQSZACIVSA-N	306.341	1.257	50	20	DDGD	
COc1ncncc1NC(=O)C(=O)NNc1cc(C)ccc1C	783366835	RBSZZXGZYZTLJP-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
C[C@H](Cc1ccccc1)NC(=S)NNC(=O)c1ccc[nH]1	786063698	WUKNRTHMWKFAQE-LLVKDONJSA-N	302.403	1.755	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2	788228561	MUCOUUDMNSZHOD-GARJFASQSA-N	309.391	1.213	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C/c1ccccc1O[C@@H](C)C(=O)OC	899368773	MLGFSPKDVBDIOU-GJSJWPQCSA-N	323.370	1.926	50	20	DDGD	
Cn1cc(C(=O)NNc2ncncc2Cl)c(C(C)(C)C)n1	781833647	JZRFFFJJIZIDOS-UHFFFAOYSA-N	308.773	1.918	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccccc1F)[C@H]1CCCOC1	780043707	IKRWEHBDPTWMGM-YPMHNXCESA-N	323.368	1.514	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)c1	787253014	IUQWZLNQXVVMET-MNOVXSKESA-N	319.361	1.208	50	20	DDGD	
C=C1CCC(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)CC1	895511236	OZPFEHBTDRKZRJ-ZIAGYGMSSA-N	323.437	1.380	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NN=Cc1cn(C)cn1	794538266	PECPICJLQXOQLJ-SNVBAGLBSA-N	306.753	1.991	50	20	DDGD	
C[C@@H]1CCc2[nH]nc(C(=O)NNc3ccc(Cl)nn3)c2C1	896439653	SSOSAVIRBPWXEP-SSDOTTSWSA-N	306.757	1.735	50	20	DDGD	
CC(C)(O)CC(=O)NNC(=O)CCSc1ccc(F)cc1	792023941	XMQZKTFYHYBSQX-UHFFFAOYSA-N	314.382	1.616	50	20	DDGD	
CC(C)(C(=O)NNc1ncccc1[N+](=O)[O-])C1CCOCC1	795173841	DYILMSIXOJQDKD-UHFFFAOYSA-N	308.338	1.886	50	20	DDGD	
C[C@@H](C=NNC(=O)Cc1cccnc1)NC(=O)OC(C)(C)C	799112893	ZCCXFPIXODUZEA-NSHDSACASA-N	306.366	1.639	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)Cc2ccc(Cl)cc2)CC1	799521149	ZOJVXRXCTWXVLN-UHFFFAOYSA-N	310.781	1.847	50	20	DDGD	
Cc1ccc(S(N)(=O)=O)c(C(=O)NNc2ncccc2C)c1	791224098	OYBHFZGCRKACQU-UHFFFAOYSA-N	320.374	1.103	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc(O)nc3ccccc23)n1	794079764	BCYTUXUVXWWZCD-UHFFFAOYSA-N	322.324	1.719	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)N2CCN(C)CC2)C12CCCC2	790173534	IDCOHSSZZWNMLA-CQSZACIVSA-N	308.426	1.669	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=C2CSC[C@H]2C)C[C@@H](C)O1	794878198	FIZDLRPCDVGFKA-QNWHQSFQSA-N	313.467	1.587	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2)on1)c1cc[n+]([O-])cc1	798384574	OSMKLGZDHOLQIN-UHFFFAOYSA-N	324.296	1.050	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1c[nH]nc1-c1ccoc1	790746370	RGINJJRRUKQFHQ-UHFFFAOYSA-N	304.697	1.870	50	20	DDGD	
CC[C@@H]1CCC[C@H]1NCC(=O)NNC(=O)c1cccc(C#N)c1	794576854	ZUJBVMROVFXLHC-UKRRQHHQSA-N	314.389	1.488	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc(-n3ccnn3)cc2)n1	794081381	DXSXLGAWNYLCAM-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
Cc1cnn(C)c1C=NNC(=O)[C@@H](C)Oc1ccccc1F	794879350	JIVJQNQWFOJKDH-LLVKDONJSA-N	304.325	1.785	50	20	DDGD	
C[C@@H](Sc1ccccn1)C(=O)NNc1nncc(N)c1Cl	1319219835	MHEDKPVTZJJKTB-SSDOTTSWSA-N	324.797	1.731	50	20	DDGD	
Cn1c(=NNC(=O)c2ccc[n+]([O-])c2)sc2ccccc21	1317767534	HDOZQBGFEXXBIZ-UHFFFAOYSA-N	300.343	1.119	50	20	DDGD	
O=C(NNc1cccc(F)n1)Nc1ccnn1C[C@H]1CCOC1	1322854192	GAWVTXPSYMYESZ-SNVBAGLBSA-N	320.328	1.602	50	20	DDGD	
CCCC[C@](C)(F)C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1328100546	GEGKMMMZVYVAIW-HNNXBMFYSA-N	310.373	1.968	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1CCCCCC1=NNC(=O)CCO	1320884902	DGKLIQRLKLSZPI-LLVKDONJSA-N	313.398	1.698	50	20	DDGD	
Cc1ccc(Cl)cc1NC(=O)NNC(=O)C1CCNCC1	1328678905	YYBVTWABFRDANR-UHFFFAOYSA-N	310.785	1.801	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1ccncc1Cl	1326493512	CAOOOEMDKQPUHS-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
Cc1cc(Br)c2c(c1)C(=NNC(=O)CCO)CO2	1327801769	MEFOVFYIYFTGSV-UHFFFAOYSA-N	313.151	1.353	50	20	DDGD	
COCc1ncsc1C(=O)NNC(=O)c1ccc(OC)cc1	1323010798	HZAVNMBFLMUBLI-UHFFFAOYSA-N	321.358	1.373	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ncoc2[C@@H]2CCCO2)o1	1331531328	RCRUZKGBMFHBAU-VIFPVBQESA-N	305.290	1.502	50	20	DDGD	
Cc1cccc2nc(C(=O)NNc3nc4ccccn4n3)cn12	1255741457	ODPXJIWLIMVIPP-UHFFFAOYSA-N	307.317	1.442	50	20	DDGD	
Cc1cccc(CN2CCCC[C@@H]2C(=O)NN(C)C[C@@H](C)O)c1	1332150746	ZTSGMSLXXHIFRV-NVXWUHKLSA-N	319.449	1.693	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)NCc2ccoc2)C[C@H]1Br	1331358461	JFARQBBQIHPYLE-SKDRFNHKSA-N	315.167	1.186	50	20	DDGD	
CC(C)c1nnsc1C(=O)NNC(=O)Cc1cccnc1	1337067501	FKXKSOOTPVXWAD-UHFFFAOYSA-N	305.363	1.060	50	20	DDGD	
CCc1cc(NC(=O)NNCC(F)(F)C(F)(F)F)n(C)n1	1331524504	WYIGXRWRZLWXSN-UHFFFAOYSA-N	315.246	1.806	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)C2CCOCC2)CC1	1333149516	QBLZEALKMXWYSX-UHFFFAOYSA-N	302.374	1.601	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)Nc1ccccc1F	1333358583	VOWLIEHMIOQMSU-UHFFFAOYSA-N	317.324	1.894	50	20	DDGD	
O=C(/C=C\C1CCOCC1)NNC(=O)c1n[nH]c2c1CCCC2	1338943990	UGKBDKHKNSSSAS-WAYWQWQTSA-N	318.377	1.032	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NCCC(F)F)cc1	1345901572	LQZPCDXHJRDROW-UHFFFAOYSA-N	302.281	1.686	50	20	DDGD	
CC[C@H](CNC(=O)NC[C@]1(C)C[C@H]1Br)C(=O)O	1340566066	ABNHNIVDQJZEAS-XLDPMVHQSA-N	307.188	1.570	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](C)c2nnnn2C)c(Cl)c1	1351579081	RDYKIVFBWXECIX-MRVPVSSYSA-N	309.761	1.559	50	20	DDGD	
COc1cncc(C(=O)OC[C@@]2(C)C[C@@H]2Br)n1	1515799126	MVFBKXBGKAZHCB-GZMMTYOYSA-N	301.140	1.816	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@]23CC[C@H](CC2=O)C3(C)C)n1	1518835417	UKTFMMIMDNUKBD-BZNIZROVSA-N	302.378	1.932	50	20	DDGD	
Cc1nnccc1NC(=O)NNc1ccc(F)c(C(=O)O)c1	1608018728	YZPKKOREYDKFCI-UHFFFAOYSA-N	305.269	1.771	50	20	DDGD	
Cn1cc([N+](=O)[O-])cc1C(=O)NNc1cccc(C(=O)O)c1	1600970778	QPEOIPMVUFHSIJ-UHFFFAOYSA-N	304.262	1.388	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)CCc2ccc(C(=O)O)cc2)O1	1607463253	GXNHVBKOXRELRW-GWCFXTLKSA-N	320.345	1.032	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)c1cnc(C2CC2)nc1	1601560642	RKSDUDFFDKIKHP-UHFFFAOYSA-N	316.292	1.948	50	20	DDGD	
Cc1ccoc1C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1605964495	VRKRAWQIXYLKFH-UHFFFAOYSA-N	317.309	1.636	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=C2CC(CC(=O)O)C2)cc1	1608210459	OYCFOWFKVRSVTG-UHFFFAOYSA-N	301.302	1.294	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21	1601559868	DIVWTTMQOVOYQX-FUTFKJLYSA-N	321.308	1.326	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@H]1CC[C@H]1C(=O)O	1605815872	WBXLDKBTSLVWGW-NWDGAFQWSA-N	301.302	1.082	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1csc(C(=O)O)n1	1608484388	SSQLBDWERNKSKJ-UHFFFAOYSA-N	303.303	1.475	50	20	DDGD	
Cc1cc(C2(C(=O)NNc3cccc(C(=O)O)c3)CC2)on1	1600182374	DKMXUMNEJPVYCH-UHFFFAOYSA-N	301.302	1.856	50	20	DDGD	
Cc1c(C(=O)O)csc1NC(=O)C(=O)NNc1ccccc1	1610414628	SVJFRLLXMLKPCK-UHFFFAOYSA-N	319.342	1.837	50	20	DDGD	
CCCCNC(=O)NN=C[C@H]1CCCO[C@@H]1c1cnn(C)c1	1552447319	RKEJJBDYODEAHK-OCCSQVGLSA-N	307.398	1.973	50	20	DDGD	
Cc1cccc(-c2ccc(C(=O)NNC(=O)CCCN)n2C)c1	1579742546	ADTXEEOWJIJHLR-UHFFFAOYSA-N	314.389	1.500	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1ccc(C(=O)O)cc1F	1588477450	RDJMKODRZTUYNJ-ZDUSSCGKSA-N	305.309	1.065	50	20	DDGD	
N[C@H](C(=O)NNc1ncc(Cl)cn1)c1c(F)cccc1F	1580114798	BSFYEQBOVOBGOL-JTQLQIEISA-N	313.695	1.551	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@@H]1F	1847865053	ARYPIZAOAYASKJ-MOLYVOAJSA-N	316.804	1.954	50	20	DDGD	
CC/C=C(\C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl	1847567945	GMMXGOJASNSEAK-MLLXUVGFSA-N	314.813	1.144	50	20	DDGD	
N#C[C@H]1CNCC12CC(C(=O)NNc1ccccc1[N+](=O)[O-])C2	1580044167	WXTHWEBVHWNEIU-VTWZXRTESA-N	315.333	1.177	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)c1c[nH]c2ccccc12)C(=O)O	1589539423	TZEWIEWUOOUNRM-VIFPVBQESA-N	318.333	1.223	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=C(C)c1ccc(C(=O)O)cc1C	1776101987	DITABOSVEWBUFQ-ZIAGYGMSSA-N	304.346	1.958	50	20	DDGD	
CCNC(=O)NN=Cc1ccc(OCC(=O)O)c(OCC)c1	1776039343	LGRSGJMNWOKBIM-UHFFFAOYSA-N	309.322	1.202	50	20	DDGD	
O=C(O)c1ccc2[nH]cc(C=NNC(=O)c3ccc(O)nc3)c2c1	1776094333	NJFDQTSIZGYWNU-UHFFFAOYSA-N	324.296	1.731	50	20	DDGD	
CC(=O)NNC(=O)CSc1nc(C)nc2sc(C)c(C)c12	5428707	LDTGHTMHVZFNOT-UHFFFAOYSA-N	324.431	1.876	50	20	DDGD	
COC(=O)CSCCC(=O)NNc1ccc(F)cc1C	161029714	QAUQRNXORJPCDG-UHFFFAOYSA-N	300.355	1.874	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2(c3ccccc3F)CC2)[nH]n1	151176769	ATKNAXAQHZBCOK-UHFFFAOYSA-N	302.309	1.350	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cccnc2C)n1	155696483	ZVEUFAQPTUNAFE-UHFFFAOYSA-N	300.366	1.783	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc(C(F)(F)F)cc1	155486087	JMLCHCFSDSSBMR-UHFFFAOYSA-N	304.272	1.420	50	20	DDGD	
C[C@H](CO)N(Cc1ccccc1)S(=O)(=O)CBr	882710567	IIXUMVFZVBOSAZ-SNVBAGLBSA-N	322.224	1.552	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CN2CCSC2=O)cc1	7961158	RDFZOCIGNAYBKW-UHFFFAOYSA-N	307.375	1.179	50	20	DDGD	
Cc1cccc(NNC(=O)CCc2nc(-c3ncccn3)no2)c1	109427255	TWYKIHWJYMSQCD-UHFFFAOYSA-N	324.344	1.911	50	20	DDGD	
C=C(C)CN1CCC(NC(=O)NNc2nccc(OC)n2)CC1	106341048	LUAMUHLGERNGLG-UHFFFAOYSA-N	320.397	1.152	50	20	DDGD	
CCCNC(=O)NNC(=O)Cc1coc(-c2cccs2)n1	106018844	NHLKNNYOBQVYQG-UHFFFAOYSA-N	308.363	1.686	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)c2cc3ccccc3o2)CC1	177727361	PHDJKNCETMVEOM-UHFFFAOYSA-N	316.313	1.537	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1ccc(C(C)(C)C)cc1	66701950	VSYWOPWVHYNSND-UHFFFAOYSA-N	307.394	1.851	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NNc1ccccn1	171280181	XMNWLNGMBWGTRB-UHFFFAOYSA-N	313.361	1.762	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCC(OC)CC1	67483009	QLOSYWSHGPHPNQ-UHFFFAOYSA-N	307.350	1.160	50	20	DDGD	
COc1ccccc1CCC(=O)NNC(=O)NC1CCCC1	65918891	VYZYNYCYZWPZCL-UHFFFAOYSA-N	305.378	1.901	50	20	DDGD	
CC(C)[C@@H](CC(=O)NNC(=O)N1CCOCC1)c1ccccc1	171292985	GKMOJLYPMFEIPJ-OAHLLOKOSA-N	319.405	1.889	50	20	DDGD	
Cc1ccc(CCC(=O)NNC(=O)c2cnn(C)c2)c(C)c1	117680680	GFUKJROORJHOLJ-UHFFFAOYSA-N	300.362	1.431	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1cn2ccccc2n1)C1CC1	175198650	LYZXYAKQLFVYNA-JTQLQIEISA-N	301.350	1.006	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NNc2cc(C)ncn2)C1	172283937	FNIAHUVGZKAYDH-YPMHNXCESA-N	319.409	1.513	50	20	DDGD	
O=C(NCCc1ccccn1)NNc1ncnc2ccsc12	178096890	UJQAWHQGORYVGB-UHFFFAOYSA-N	314.374	1.955	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1cn(C)nc1-c1ccncc1	63275671	CRASUNWJSKDGIH-UKTHLTGXSA-N	312.329	1.579	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)Cc2ccc(Cl)cc2)n[nH]1	125460133	LIWUONPOLAUDBJ-UHFFFAOYSA-N	306.753	1.304	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc([N+](=O)[O-])cc1Cl)S(C)(=O)=O	125890543	BNISXDNGWJXZIB-LURJTMIESA-N	321.742	1.124	50	20	DDGD	
CC(=O)NNC(=O)Cc1cccc(I)c1	122747274	NLYDRCJFKSJVTC-UHFFFAOYSA-N	318.114	1.001	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1coc(-c2ccccc2)n1	186136590	VOWZNKPYBFMAOP-UHFFFAOYSA-N	311.301	1.068	50	20	DDGD	
Cn1nc(C(=O)NNc2ccc(C(C)(C)C)cc2)ccc1=O	181116863	CPFJATTWYZSRDW-UHFFFAOYSA-N	300.362	1.835	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1C[C@H]2CCC[C@H]2C1	120275646	HLBRQVAICSAFIS-TXEJJXNPSA-N	303.362	1.782	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@@H]2CCN(C3CC3)C2)n1	79460691	GVOSVUWSIMVBJF-LBPRGKRZSA-N	304.398	1.204	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1	122637865	ASEVDLQHSMYMOP-AWEZNQCLSA-N	317.301	1.780	50	20	DDGD	
CN(C)[C@@H](CNS(=O)(=O)CBr)c1ccccc1	127357704	UCESJRWZYIWTKM-NSHDSACASA-N	321.240	1.561	50	20	DDGD	
CCNC(=O)c1cccc(CNC(=O)NNc2ccccn2)c1	79555458	BGMBSEAGCSIHBD-UHFFFAOYSA-N	313.361	1.658	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1cccc(Cl)c1F	77708773	LSPFPAHREICSSI-UHFFFAOYSA-N	308.762	1.835	50	20	DDGD	
CC(C)N1CC[C@@H](NC(=O)NNc2cc(Cl)ccn2)C1=O	181177601	KAJKWYWSGRHZCJ-SNVBAGLBSA-N	311.773	1.370	50	20	DDGD	
Cc1ccc(NNC(=O)C2CCN(C(=O)N(C)C)CC2)cc1	120873399	UOTUUSZHGPIGNX-UHFFFAOYSA-N	304.394	1.832	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)Nc2ccsc2)cc1	186536522	NHPRNXLAVJVSHB-UHFFFAOYSA-N	316.342	1.851	50	20	DDGD	
C[C@H](c1ccco1)N(C)CC(=O)NNC(=O)c1ccccc1	182104986	DOTPVPTVCIBCGS-GFCCVEGCSA-N	301.346	1.734	50	20	DDGD	
CC1(C)CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1	72828065	BERXGEAWAQCIDS-UHFFFAOYSA-N	320.349	1.088	50	20	DDGD	
COc1ccc2[nH]cc(CC(=O)NNC(=O)[C@@H]3CCCO3)c2c1	75921081	FVHIWBWKTAEIEP-AWEZNQCLSA-N	317.345	1.045	50	20	DDGD	
COc1cccc(NNC(=O)c2cccc(C[S@](C)=O)c2)n1	180724562	KISOEBNIWWQFIW-QFIPXVFZSA-N	319.386	1.726	50	20	DDGD	
CC(C)COc1cccc(C(=O)NNC(=O)Cc2cc[nH]n2)c1	186108309	GKLJDUJHWBREIU-UHFFFAOYSA-N	316.361	1.448	50	20	DDGD	
CCC(CC)NC(=O)NNC(=O)c1c(C)nc2ccccn12	43630836	JGWUKMHHXGXSIV-UHFFFAOYSA-N	303.366	1.775	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)Nc1ccon1	183605818	PNQWROQYGBYFPQ-UHFFFAOYSA-N	304.306	1.469	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NNC(=O)CCc2ccccc2)C1	194774369	QGVNONMEVUPGNO-HNNXBMFYSA-N	317.389	1.025	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@@H](Cc1ccccc1)C(C)C	191157021	GHAXVKBZKPKWJT-OAHLLOKOSA-N	321.421	1.868	50	20	DDGD	
CN1C(=O)Cc2cc(NC(=O)NNC(=O)C(C)(C)C)ccc21	194142281	QSFVXGSOXRCGOB-UHFFFAOYSA-N	304.350	1.404	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cn(C)nc2-c2ccncc2)n1	144488365	LRMCCTRLWGTHBW-UHFFFAOYSA-N	323.360	1.646	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C/c2cn(C)nc2C(C)(C)C)n1	93902434	OQMWVKGQCSBYNA-DHZHZOJOSA-N	312.377	1.997	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	246487448	BEWYTZGAURTNMA-XSIBGMEISA-N	313.401	1.994	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN(C)CC(C)(C)C	268909031	MGJDRVDLFKIXCH-UHFFFAOYSA-N	305.422	1.663	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNC(=O)c1ccccc1F	264268242	LBHNVMHCTMVROR-UHFFFAOYSA-N	311.313	1.065	50	20	DDGD	
O=C(NNS(=O)(=O)N1CCCC1)c1cc2ccccc2o1	267476332	SDHCJBOKOCOLQA-UHFFFAOYSA-N	309.347	1.008	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H](C)CN(C)Cc1ccccc1	271807031	ISLMACYFUYMYFL-CQSZACIVSA-N	320.437	1.883	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1	271250905	FDFYMADTPRKGSF-AWEZNQCLSA-N	321.377	1.551	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cnn(C(C)(C)C)c2)n1	279802710	MMQVPKFPAZJSDB-UHFFFAOYSA-N	301.350	1.416	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NC[C@@H]2CCSC2)c1	279890959	GOZLDNAVICFMNV-LBPRGKRZSA-N	323.418	1.457	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCCCCSC)n1	274827011	RDAZVADEZMFARL-UHFFFAOYSA-N	313.427	1.953	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)NC2CC(F)(F)C2)c1	277075397	DYNHTPSCUVVCPY-UHFFFAOYSA-N	319.333	1.514	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NC2CCCC2)c(C(C)(C)C)n1	271158388	OUFWTAKEJCUCKH-UHFFFAOYSA-N	307.398	1.604	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H]1CC(=O)N(C2CCC(C)CC2)C1	370367852	WZDJFAZRSFFAHC-CPCZMJQVSA-N	324.425	1.106	50	20	DDGD	
Cn1c(=O)[nH]c2ccc(NS(=O)(=O)CCCCCl)cc21	283089756	VIYHATCDNATXCE-UHFFFAOYSA-N	317.798	1.627	50	20	DDGD	
CC1(C)CC[C@@H]1NC(=O)NNc1cccc(S(C)(=O)=O)c1	287787994	BCMCDGYPZLSWJE-LBPRGKRZSA-N	311.407	1.905	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)C1(c2ccccc2)CC1	281245526	NVCGVOXMHHRESW-UHFFFAOYSA-N	301.268	1.611	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NC[C@H](CO)[C@H]1CCOC1	281703108	HGBXLAPIHKLJEM-VOXMINEMSA-N	318.348	1.494	50	20	DDGD	
C[C@H]1CC[C@@H](CC(=O)NNc2ccc(-n3ccnc3)nn2)C1	286682896	QDQKKXRPLDPDGX-NWDGAFQWSA-N	300.366	1.932	50	20	DDGD	
Cc1c(C(=O)NCC(Cl)Cl)cnn1-c1ccc(O)nn1	808131024	FJFYDKXEUDUEJA-UHFFFAOYSA-N	316.148	1.210	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)C(=O)NNC(=O)Nc1ccccc1	801991568	SNZHTNCIVIIAGJ-VIFPVBQESA-N	301.350	1.983	50	20	DDGD	
CCOCC(=O)NN=Cc1ccc(C)cc1-c1ccnn1C	802711803	YMKVEPZFALFGAF-UHFFFAOYSA-N	300.362	1.882	50	20	DDGD	
O=C(NCCCOC(F)F)NNC(=O)c1cccc(Cl)c1	801071843	YDSGWYNOVAFDMQ-UHFFFAOYSA-N	321.711	1.913	50	20	DDGD	
COc1ncccc1CCNC(=O)NNC(=O)CCC(C)C	290780531	NCWQKBMHKSZNHB-UHFFFAOYSA-N	308.382	1.399	50	20	DDGD	
Cc1nnsc1CNC(=O)c1c(C)nn(CCCl)c1C	293716256	OZZLFKQXSNFSID-UHFFFAOYSA-N	313.814	1.829	50	20	DDGD	
CC(C)COc1ccc(NC(=O)NNC(=O)[C@@H]2CCCO2)cn1	293171008	CXQUOXVGZGUVQF-LBPRGKRZSA-N	322.365	1.448	50	20	DDGD	
CSC1(C=NNC(=O)C2CCN(c3ncccn3)CC2)CC1	800812864	MSCXLTCIMMJOGF-UHFFFAOYSA-N	319.434	1.691	50	20	DDGD	
CCc1n[nH]c(=O)c(C(=O)NNc2cccc(Cl)n2)c1CC	293682592	LQROBUGPXWPHGN-UHFFFAOYSA-N	321.768	1.700	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc2c(c1)CCCC2=O	295144963	DNYYZLKSZVXOGQ-SNVBAGLBSA-N	324.402	1.561	50	20	DDGD	
O=C(NNc1ncccc1F)C(=O)Nc1cccc2c1CCO2	807300922	YQTYBNFIMROKIX-UHFFFAOYSA-N	316.292	1.237	50	20	DDGD	
CSSCCNC(=O)N1CCC[C@@H](CCNC(C)=O)C1	807226824	UTASZVLXYLCZEJ-LBPRGKRZSA-N	319.496	1.945	50	20	DDGD	
O=C(NNc1ccncn1)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1	296175875	LSZIKPKSJJPZQA-CHWSQXEVSA-N	317.393	1.349	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1ccc2nc[nH]c2c1	807412204	ULBVEWUGICIZKV-UHFFFAOYSA-N	320.316	1.296	50	20	DDGD	
C[C@H](COCC(F)(F)F)NC(=O)NNc1ncncc1F	293015371	PBMGDMFWCJQUFU-ZCFIWIBFSA-N	311.239	1.209	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2noc3c2CCCCC3)O1	293949470	PYWKKULKCNBDSG-CABZTGNLSA-N	307.350	1.272	50	20	DDGD	
COC(=O)COCC(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	808534077	FLZHSOYQBNZFCY-UHFFFAOYSA-N	319.269	1.843	50	20	DDGD	
COC(=O)C1(C)CN(C(=O)[C@H](Br)C(C)(C)C)C1	819759777	CPXMTJNLYUIKCI-QMMMGPOBSA-N	306.200	1.818	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CC2OCCCO2)ccc1C	816688173	GULZYIZTUPRBHN-UHFFFAOYSA-N	308.334	1.378	50	20	DDGD	
COCCN(C)NC(=O)COc1cccc(OCC(C)C)c1	816560973	HELHYPWJMZISLI-UHFFFAOYSA-N	310.394	1.710	50	20	DDGD	
CCn1ccnc1C(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	813487971	UCNBKKADNOSQMX-UHFFFAOYSA-N	305.294	1.577	50	20	DDGD	
O=C(NNc1ncncc1F)Nc1cnn(CC(F)(F)F)c1	814641886	MAZFOJIKZHCVMH-UHFFFAOYSA-N	319.222	1.523	50	20	DDGD	
COc1ccc(CNC(=O)NNc2ncncc2F)c(C)c1	814313113	OAJSNEHRIYJJNO-UHFFFAOYSA-N	305.313	1.759	50	20	DDGD	
CCCCS(=O)(=O)/C(C#N)=C\c1cc(C(=O)OC)n(C)c1	811692206	XVAGVHVFHQZHCW-GHXNOFRVSA-N	310.375	1.891	50	20	DDGD	
O=C(NNC(=O)c1cc(F)c(F)c(F)c1)NC1CCCC1	728518225	HIKVGGLYFXWLRI-UHFFFAOYSA-N	301.268	1.991	50	20	DDGD	
CCn1c(NNC(=O)c2cc(F)c[nH]2)nc2ccccc2c1=O	814889533	MUIFIHZZPDPQCB-UHFFFAOYSA-N	315.308	1.641	50	20	DDGD	
C[C@@H]1SCC[C@@H]1NC(=O)NNC(=O)c1cccc(N(C)C)c1	827642422	CEVXHMMPVPSDCH-GWCFXTLKSA-N	322.434	1.591	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H](C(=O)OC(C)(C)C)C1CCCC1	823799992	XMNJBIURHNYQHJ-LLVKDONJSA-N	313.398	1.485	50	20	DDGD	
Cc1ccc(Br)nc1C(=O)NN(C)[C@H](C)CO	823936025	YLIVNBXXGZABLV-MRVPVSSYSA-N	302.172	1.110	50	20	DDGD	
C[C@H]1OC(=O)N[C@@H]1C(=O)NNc1ccc(Cl)cc1Cl	497083153	PVWFNYCXMTWDDR-ANLVUFKYSA-N	304.133	1.933	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)NC1CCCC1	727699469	SIOAPNHXTYWLQJ-UHFFFAOYSA-N	312.464	1.912	50	20	DDGD	
Cc1nn(C)cc1/C=C(/C#N)C(=O)c1cccc(-c2nn[nH]n2)c1	826334255	NXGPYUSFTYLQPW-QPEQYQDCSA-N	319.328	1.699	50	20	DDGD	
Cc1nc2ccnn2cc1C(=O)NNC(=O)NC1CCCCC1	822195671	AALDBPPCWAKNLQ-UHFFFAOYSA-N	316.365	1.314	50	20	DDGD	
CCCONC(=O)NNC(=O)c1ccc(Cl)cc1OC	828232754	SRXRTECXERTCDT-UHFFFAOYSA-N	301.730	1.634	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)CCC1Cc2ccccc2C1	821132000	HBVFDVJXZIHHQE-UHFFFAOYSA-N	324.446	1.788	50	20	DDGD	
CC(=O)N[C@@H](CCC(C)C)C(=O)NNC(=O)c1ccc(C)o1	829831718	QTIJKXXGYFLRNK-LBPRGKRZSA-N	309.366	1.290	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)OC(C)(C)C)C1	493138409	JHZZFDAICSZVAV-NXEZZACHSA-N	300.355	1.522	50	20	DDGD	
COc1cc(C(=O)NN(C)[C@H](C)CO)ccc1OCC(C)C	823987009	CNLLJDRSCVIQAD-GFCCVEGCSA-N	310.394	1.687	50	20	DDGD	
CC(C)CC(=O)Nc1ccc(NCc2ccc(B(O)O)o2)cc1	585012040	CVAAGQWZHMAEDK-UHFFFAOYSA-N	316.166	1.556	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H](OC)c1cccc(OC)c1	823755753	KXVHPJCOQRTUPW-ZDUSSCGKSA-N	309.366	1.513	50	20	DDGD	
CCN(CCO)NC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	823873636	FKYQVHQGMICQCV-ZJUUUORDSA-N	302.296	1.553	50	20	DDGD	
CC[C@@H](c1ccccc1)N(CC)C(=O)c1cccc(B(O)O)c1	584937834	CQENFSQSMYODBE-KRWDZBQOSA-N	311.190	1.980	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=S)NCC2CCC2)c1	727269915	BOTLVXBYLBFFPR-UHFFFAOYSA-N	321.446	1.978	50	20	DDGD	
CN1C[C@H](COC(=O)/C(C#N)=C/c2ccc(O)cc2)OC1=O	495663464	CSOUPTIKBMJCIH-ASJRZHAZSA-N	302.286	1.293	50	20	DDGD	
CCN(Cc1ccc(C(=O)N2CC[C@H](B(O)O)C2)cc1)C(C)C	585070053	SPLIYBSHMOCKKI-INIZCTEOSA-N	318.226	1.606	50	20	DDGD	
CC(C)N(C)Cc1ccccc1CNCc1ccc(B(O)O)o1	585032550	IPESTCQFVCRFBH-UHFFFAOYSA-N	316.210	1.089	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccn(-c2ccc(F)cc2F)n1	823935368	QIWFERNWVOEENK-VIFPVBQESA-N	310.304	1.108	50	20	DDGD	
C=CCNC(=S)NNC(=O)C[C@@H]1CSc2ccccc2O1	823625184	QEJVHJXPCAWCMR-SNVBAGLBSA-N	323.443	1.611	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)c1ccc2c(c1)CCCC2=O	829635478	XZOOUVKWHGWSFP-UHFFFAOYSA-N	310.375	1.171	50	20	DDGD	
C[C@]1(C(=O)NC[C@H]2CCCCS2(=O)=O)C[C@H]1Br	907320859	MOJKIOJMGCBFPT-KKZNHRDASA-N	324.240	1.243	50	20	DDGD	
COc1cc(C)c(C(C)=NNC(=O)C(=O)NC(C)C)cc1OC	731314470	MVILPUIBXWCBCL-UHFFFAOYSA-N	321.377	1.377	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccncc1	496158009	JQXMVVNFVIJSCC-CYBMUJFWSA-N	316.361	1.448	50	20	DDGD	
Cc1ncsc1/C=C\C(=O)NNC(=S)N[C@H](C)C1CC1	588520735	ZYMGLWADYVLTMU-RPSMYOMKSA-N	310.448	1.759	50	20	DDGD	
CCc1[nH]c(C(=O)NNc2cc(C)nc(C)n2)c(C)c1C(=O)O	737245135	WMVYTRKDJNSWQQ-UHFFFAOYSA-N	317.349	1.747	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(C(F)(F)F)ccn1	900383106	OQLXTCMSJVWKST-UHFFFAOYSA-N	304.272	1.845	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H](C(=O)NNC(=O)[C@H]2CCCCO2)C1(C)C	833241666	DKWDVUGWUYPOGD-NQBHXWOUSA-N	310.394	1.344	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1cc2c(cc1O)OCO2	735688727	ODCHGSCTAZEWPH-UHFFFAOYSA-N	308.681	1.321	50	20	DDGD	
C[C@]1(C(=O)NC[C@@H](O)C2CCOCC2)C[C@H]1Br	907013007	MLYTXIBPYRVPKO-FOGDFJRCSA-N	306.200	1.064	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1c(F)cc(F)cc1F	901966794	SQZVNGRBNKPWON-UHFFFAOYSA-N	320.292	1.217	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2ccc3c(c2)OCO3)CCCC1	837311898	WHIOOSBJSDUYMQ-UHFFFAOYSA-N	320.345	1.383	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1CC[C@@H](CC2CCCC2)C1	584978351	ZHGGSRGDXCXBDX-ZDUSSCGKSA-N	319.185	1.548	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccn(C)c1-c1ccccc1	831853805	GQBRJQZBVGYHMR-UHFFFAOYSA-N	300.362	1.998	50	20	DDGD	
COc1ccc(F)c(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	831546247	PVSONCSFKGTFEC-PSASIEDQSA-N	311.313	1.412	50	20	DDGD	
CC[C@@H](O)[C@H](C)C(=O)NNC(=O)c1cccc2ncccc12	900613107	IHJVRHBEDUNHSG-IINYFYTJSA-N	301.346	1.403	50	20	DDGD	
CCN(CC)C(=O)c1ccc(C(=O)NNC(=O)C2CCC2)cc1	732141981	PZWMPGLCUVEFQW-UHFFFAOYSA-N	317.389	1.730	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc2c(c1)OCCCCO2	834973739	NJMHJGCAFIUBBW-UHFFFAOYSA-N	321.333	1.044	50	20	DDGD	
Cc1cccc(C)c1[C@H](C)NCc1ccc(B(O)O)cc1F	585034011	DXHQEYXXTJCLOX-ZDUSSCGKSA-N	301.170	1.973	50	20	DDGD	
CC(C)N1CC[C@H](NC(=O)[C@]2(C)C[C@@H]2Br)C1=O	906703449	RGWZFPXFAMWAIF-HOTUBEGUSA-N	303.200	1.285	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccnc(N2CCCCC2)n1	739706306	HQJDHUMCHAMJGS-UHFFFAOYSA-N	320.397	1.211	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)c1	907817422	MUFDMQVYLDECQQ-MRVWCRGKSA-N	316.361	1.448	50	20	DDGD	
COc1ccc2nc(NNC(=O)CCNC(=O)O)c(C)cc2c1	833734659	BTHHHJNEFYZDON-UHFFFAOYSA-N	318.333	1.653	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)[C@@H]1C[C@H]1C(=O)O	739345640	KIAXAMNOTDHYES-ZIAGYGMSSA-N	312.325	1.250	50	20	DDGD	
O=C(COc1ccc(F)cc1)NN=Cc1ccc(O)c(O)c1	916331049	DNJDNNXYFOVYQD-UHFFFAOYSA-N	304.277	1.766	50	20	DDGD	
Cc1cc(NNC(=O)NCCN2C(=O)CCC2=O)ccc1Cl	918638271	OPSINBVPHKZQCG-UHFFFAOYSA-N	324.768	1.424	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])c[nH]1	917215758	FFGPWMWPQKIDKF-UHFFFAOYSA-N	323.696	1.432	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1C[C@H](C)OC2(CCC2)C1	830733916	DYFJIFMQBWHPMC-QWHCGFSZSA-N	311.426	1.212	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(OCc2ccccc2)cn1	910181000	BOOJVUAYTPGOOO-CYBMUJFWSA-N	315.373	1.618	50	20	DDGD	
COC1CCC(NC(=O)NNc2nc3ccccn3n2)CC1	838758171	MTTLNOMLYVIOBD-UHFFFAOYSA-N	304.354	1.313	50	20	DDGD	
CCOc1ncccc1C(=O)NNc1ccnc(N(C)C)n1	740117406	HEPLCMHHIJKVRG-UHFFFAOYSA-N	302.338	1.093	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1ccc(-c2ccncc2)cc1	745200246	KMPDFLDEQTXIJJ-UHFFFAOYSA-N	322.368	1.867	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2cccc([N+](=O)[O-])c2C)c1[N+](=O)[O-]	748693509	NMYHBNGKHDNTDQ-UHFFFAOYSA-N	320.265	1.600	50	20	DDGD	
COc1ccc(C)cc1CC(=O)NNC(=O)Cc1ccncc1	747322861	QXWUKEYLAULFQG-UHFFFAOYSA-N	313.357	1.331	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)CNc2ccc(C)cc2)[C@H]1OC	841604826	VQLIZWAVAVTVFM-GDBMZVCRSA-N	305.378	1.703	50	20	DDGD	
COc1cc(C(=O)NN(C)C[C@H](C)O)ccc1OC1CCCC1	910169954	HCTKDHLNCSIZPO-LBPRGKRZSA-N	322.405	1.974	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cn(C)nc1-c1ccc(C)o1	843264089	MKZVBGYPLQDVAO-XYOKQWHBSA-N	314.345	1.658	50	20	DDGD	
CCC[C@@H](C)N1C[C@H](C(=O)NNC(=O)C2CCCC2)CC1=O	917662808	DIFXPTNZVCOXQD-DGCLKSJQSA-N	309.410	1.361	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CS[C@H](C)c1nc2ccccc2[nH]1	910177011	HEZJFPDNLWBBAH-GHMZBOCLSA-N	322.434	1.701	50	20	DDGD	
N#Cc1csc(C=NNC(=O)Cc2cn3ccccc3n2)c1	748080293	UTQAZWDAFAIZNA-UHFFFAOYSA-N	309.354	1.960	50	20	DDGD	
Cn1nc(C2CC2)nc1CC(=O)NNc1cccc([N+](=O)[O-])c1	843832650	VGJTYPWZOGFJLI-UHFFFAOYSA-N	316.321	1.287	50	20	DDGD	
Cc1ncc2n1C[C@H](C(=O)NNc1nccnc1C(C)C)CC2	846019084	ONQKIRCLHIXPCC-GFCCVEGCSA-N	314.393	1.811	50	20	DDGD	
Cc1nccn1CCCCNC(=O)NNc1ccc(F)cn1	743631115	MKKHZOLURQJGOA-UHFFFAOYSA-N	306.345	1.832	50	20	DDGD	
Cc1ccc([C@H](CNC(=O)NNC(=O)C(C)C)N(C)C)cc1	743334299	SOLPLYZMXFKXQO-AWEZNQCLSA-N	306.410	1.584	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1ccc([N+](=O)[O-])n1C	918690847	BBWZEKGWIAVXPM-UHFFFAOYSA-N	317.305	1.708	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1cc([N+](=O)[O-])ccc1Cl	916358007	XJEBSWYHYYUUHZ-UHFFFAOYSA-N	324.724	1.321	50	20	DDGD	
CCN1C[C@H](CNC(=O)[C@]2(C)C[C@H]2Br)CC1=O	911892114	ZBONTXJZXOLSTB-YGOYTEALSA-N	303.200	1.145	50	20	DDGD	
CO[C@@H](CC(=O)NN(C)C(=O)OC(C)(C)C)C(F)(F)F	846255665	PTSGSQOBMMCXNH-ZETCQYMHSA-N	300.277	1.852	50	20	DDGD	
CC(C)Cc1nc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cs1	843649403	USVHGQPKPPKMGG-VHSXEESVSA-N	311.407	1.528	50	20	DDGD	
C[C@@H](CCO)SCC(=O)NNC(=O)c1ccc(Cl)cc1	741732597	KMCZBIKZVJFTRQ-VIFPVBQESA-N	316.810	1.605	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NC[C@H]1CC1(Cl)Cl	747494786	ZUHGUMQGVQGPCX-SECBINFHSA-N	317.176	1.148	50	20	DDGD	
C[C@H](CN)CNC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	841963902	XBTXVHYOXXFZFM-NXEZZACHSA-N	324.450	1.412	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)[C@@H]1CCCNC1	841929298	VKUVAMGOYXAMAV-WCQYABFASA-N	322.384	1.087	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCCCC1)c1cc2n(n1)CCC2	841614050	FQGMEXXXNCZDHP-ZDUSSCGKSA-N	317.437	1.792	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1	749364687	ZPDHUSPBFLYAPT-UHFFFAOYSA-N	314.349	1.265	50	20	DDGD	
CSC1(C(=O)NNc2ncc(Br)cn2)CC1	848322389	ZKPFGSRSSORMPZ-UHFFFAOYSA-N	303.185	1.578	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1ncc(C(C)(C)C)o1	843655751	KYYMJLMCAIGGLH-MNOVXSKESA-N	323.393	1.477	50	20	DDGD	
CC(C)(C)OC(=O)[C@]1(C(=O)NNC(=O)NC2CC2)CC=CCC1	845298929	KFNZSXJPRJHMRR-MRXNPFEDSA-N	323.393	1.547	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1ccc2c(c1)CCN2	841278384	NQXAWFRJELXHPL-UHFFFAOYSA-N	302.256	1.760	50	20	DDGD	
CCNC(=O)CCC(=O)NNc1ncnc(Cl)c1C(C)C	840548309	GHUHROUZBQLTQR-UHFFFAOYSA-N	313.789	1.613	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](C[C@H]1CCCO1)C(F)(F)F	845925032	CSKFAADBKPVJKW-RKDXNWHRSA-N	311.304	1.427	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cnc2c(cnn2C(C)C)c1	755844324	CBPRIIYLWITAAQ-UHFFFAOYSA-N	320.353	1.201	50	20	DDGD	
CCCC[C@@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(C)C	856744087	GCGGRHFOJXUGPW-VXGBXAGGSA-N	318.439	1.031	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)Cc1ccc(C(N)=O)cc1	754284347	ZTBDIXAVSZFDQW-UHFFFAOYSA-N	301.321	1.919	50	20	DDGD	
O=C(CN1CCSC1=O)NNc1ccc([N+](=O)[O-])cc1F	855621839	QEJMCWGVWGUVJQ-UHFFFAOYSA-N	314.298	1.346	50	20	DDGD	
Cc1ccncc1/C=C/C(=O)NNC(=S)N[C@H](C)C1CC1	855100218	XFONWWXNIJNUNC-MVIFTORASA-N	304.419	1.697	50	20	DDGD	
CC(C)[C@@H](C(=O)NN(C)C1CC1)N1Cc2ccccc2C1=O	854983907	XMHAMFUTHVRQAS-HNNXBMFYSA-N	301.390	1.792	50	20	DDGD	
Cc1ccc(Cl)c(OCC(=O)NNC(=O)Cc2cc[nH]n2)c1	755286630	PGHRAUFKGLAPTI-UHFFFAOYSA-N	322.752	1.140	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)Cc1ccc(F)cn1	857444177	ZYEDNVYLDDLTBP-UHFFFAOYSA-N	317.320	1.380	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CCC[C@H](C#N)C2)cc(C#N)n1C	928229055	MKLKDZYHOMBQPZ-IUSDJGRYSA-N	307.357	1.874	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccnn1CC(F)F)C1CC1	855097829	YLIORDTWTJZZHP-SSDOTTSWSA-N	317.365	1.056	50	20	DDGD	
O=C(NC[C@@H]1CCCCS1)NNC(=O)c1cccc(F)n1	852284066	HXJUYVFQQZKIHI-VIFPVBQESA-N	312.370	1.450	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NN=C1CCCn2nccc21	853269326	SOTOFQBAOUMLKQ-UHFFFAOYSA-N	308.345	1.547	50	20	DDGD	
CC(C)(C)n1nnc(CC(=O)NNc2cccnc2Cl)n1	854931418	WSHHQNYFCFBPIG-UHFFFAOYSA-N	309.761	1.162	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc2n[nH]cc2c1	854280541	XQWSUZMOMRWILT-UHFFFAOYSA-N	321.406	1.051	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1[N+](=O)[O-])c1cnn(C)c1	920827323	KZKZTZAXPZCDAW-UHFFFAOYSA-N	317.305	1.248	50	20	DDGD	
NC(=O)c1cccc(C=NNC(=O)Cn2cnc3ccccc32)c1	755524327	IJNVJUVLVNMUNR-UHFFFAOYSA-N	321.340	1.286	50	20	DDGD	
Cc1ccc(NNC(=O)NCCCO[C@@H]2CCOC2)cc1F	853848049	MRYAYFQLGWUSHM-CYBMUJFWSA-N	311.357	1.956	50	20	DDGD	
CCOc1cccc(C=NNC(=O)C(=O)Nc2ccccn2)c1	758379587	DBHCSZVLMUUCPV-UHFFFAOYSA-N	312.329	1.569	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(F)cc2O)c(O)c1	750537724	SXXUJDSGWSQGCO-UHFFFAOYSA-N	304.277	1.620	50	20	DDGD	
CCn1ccnc1C=NNC(=O)[C@@H]1COc2ccccc2O1	755485246	XLRKYHMYJAPLPJ-ZDUSSCGKSA-N	300.318	1.193	50	20	DDGD	
COc1cccc(OC)c1C=NNC(=O)NCC(F)(F)F	755663002	WHFKYXQJNXXESS-UHFFFAOYSA-N	305.256	1.899	50	20	DDGD	
CCCCS[C@@H](C)C(=O)NN(C)C(=S)NCCCOC	854279701	BHDUDDZWEVPTDX-NSHDSACASA-N	321.512	1.782	50	20	DDGD	
CCCC1(C(=O)NNC(=O)COc2ccccc2O)CCC1	759184423	DBCDQANTAIWILO-UHFFFAOYSA-N	306.362	1.889	50	20	DDGD	
O=C(NN=Cc1cc(F)cc(F)c1)C(=O)Nc1ccccn1	755770216	WEPBHEMEFUCGJE-UHFFFAOYSA-N	304.256	1.449	50	20	DDGD	
CN(C[C@@H]1CCC[C@@H]1O)C(=O)NC[C@]1(C)C[C@H]1Br	856952556	GGWRZSVAIOOIMB-KQXIARHKSA-N	319.243	1.962	50	20	DDGD	
CNC(=O)CCCCC(=O)NC[C@@]1(C)C[C@@H]1Br	857390947	JESCILKSPSDGSR-JOYOIKCWSA-N	305.216	1.583	50	20	DDGD	
NC[C@@H]1OCC[C@H]1C(=O)NNc1c(Cl)cccc1Cl	852808318	SAZLHHDGMCUBPV-XCBNKYQSSA-N	304.177	1.800	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H](C)c2cnn(C)c2)ccc1C	857267649	LXYILDHYZRQIQM-LLVKDONJSA-N	316.361	1.762	50	20	DDGD	
C[C@H](NC(=O)NC[C@]1(C)C[C@H]1Br)c1nncn1C	856717807	FYKUPVGNVUBDCC-RNSXUZJQSA-N	316.203	1.349	50	20	DDGD	
COC(=O)C1(CNC(=O)NNC(=O)C2CCCC2)CCCC1	753017972	AZTHKMLKGVBKDM-UHFFFAOYSA-N	311.382	1.240	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)Nc1cnns1	755360397	AQCDOPUZRWTVDY-UHFFFAOYSA-N	307.335	1.029	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@@H]1CCc2nccn2C1	863094348	QILUITQMHDNZRV-SSDOTTSWSA-N	312.242	1.264	50	20	DDGD	
C[C@H](CNC(=O)NNc1cccc(F)n1)CC1(C)OCCO1	868858423	GPZFINXYJFJNJI-JTQLQIEISA-N	312.345	1.636	50	20	DDGD	
Cc1cccc(NNC(=O)C(=O)Nc2ccnn2C(C)(C)C)n1	861960610	QLIFRKNODXITAH-UHFFFAOYSA-N	316.365	1.423	50	20	DDGD	
O=C(NNC(=O)C1CCC1)NC1CC(OCc2ccccc2)C1	766112680	QILPJFLBXVMYFY-UHFFFAOYSA-N	317.389	1.865	50	20	DDGD	
O=C1NCCC[C@@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	868607147	NJBQMCWPCBDESG-QMMMGPOBSA-N	302.256	1.070	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCCc1cnccn1	768388027	DCDLDNNCGHPLOF-SNVBAGLBSA-N	300.200	1.945	50	20	DDGD	
COC(=O)[C@H]1CCCN1C(=O)[C@@H](Br)C(C)(C)C	767029854	MLRZAGYXPKIJQG-RKDXNWHRSA-N	306.200	1.960	50	20	DDGD	
N#CSCCCNC(=O)[C@@H]1C[C@]12C(=O)Nc1ccccc12	935843081	JOMRJGOYNRAXQJ-XHDPSFHLSA-N	301.371	1.617	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2cc(C)[nH]n2)c(C(C)C)n1	869015904	CGRWKHKNNFKECE-UHFFFAOYSA-N	315.377	1.549	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1CCCC[C@H]1C(F)(F)F	865200082	WKRJRAFSBFGZRV-VHSXEESVSA-N	318.299	1.468	50	20	DDGD	
COC(=O)CCc1ccc(NCc2ccccc2B(O)O)cc1	864005241	LVBAOMZJNZGATJ-UHFFFAOYSA-N	313.162	1.084	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)NC1CCC(F)(F)CC1	761783096	NXWQBPCMKWXLDT-UHFFFAOYSA-N	313.304	1.914	50	20	DDGD	
O=C(CCCn1ccccc1=O)NNc1ccc([N+](=O)[O-])cc1	768248677	YNBHREHXZPKABP-UHFFFAOYSA-N	316.317	1.680	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccccc1[S@@](=O)C(F)(F)F	931117969	AZODZCBPTUTSFK-OAQYLSRUSA-N	323.296	1.230	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1cc(C)c(Cl)cc1C	869906823	SJTAEKWIOWVIER-UHFFFAOYSA-N	314.769	1.381	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cnn(CC3CC3)c2)cc1	865053225	KVLOTPJHNFFRBJ-UHFFFAOYSA-N	309.329	1.240	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@H]2CC23CCC3)cc1	760120707	JZXWOSKAXSLBEI-CYBMUJFWSA-N	303.362	1.445	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CN(C)C2CCC2)n1	863896752	FZQWTHZYJWITAW-UHFFFAOYSA-N	306.414	1.250	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc(-c2cnn(C)c2)o1)C(F)(F)F	862320385	JHKHCJUTVNCBDV-SSDOTTSWSA-N	302.256	1.865	50	20	DDGD	
CSCC[C@H](O)C(=O)NNc1nc2ccccc2[nH]c1=S	862292534	HPWPUDIWAHCLQP-JTQLQIEISA-N	324.431	1.849	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccc(N(C)c2ccccc2)nc1	1116903021	CCMQCDSLCSYZPG-UHFFFAOYSA-N	312.329	1.473	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C1(CN(C)C)CC1	873799015	NQGCDKFBFHWTTQ-NSHDSACASA-N	323.368	1.082	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc3nc(C)c(C)nc3c2)n[nH]1	765585843	IQELOSQOTOTADV-UHFFFAOYSA-N	324.344	1.353	50	20	DDGD	
CCC(=NNC(=O)COCCOC)c1ccc(F)cc1F	872400080	HIPFJHCBRHSQCM-UHFFFAOYSA-N	300.305	1.858	50	20	DDGD	
Cc1noc2ncc(C(=O)NNC(=O)c3cccc(F)n3)cc12	764400256	AAQQIQLWXBUJRC-UHFFFAOYSA-N	315.264	1.140	50	20	DDGD	
CCCc1ccccc1NC(=O)NNC(=O)C1CCNCC1	1118019505	OQXPBDHKASYIJX-UHFFFAOYSA-N	304.394	1.791	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C2CCC(O)CC2)c1	873777697	XOAWHEQMLYPJTQ-UHFFFAOYSA-N	307.419	1.864	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC12CCOCC2)c1ccccc1Cl	1116209387	MKOOUIOAAVYUKY-LLVKDONJSA-N	308.765	1.918	50	20	DDGD	
O=C(NNC(=O)c1c[nH]cc(Cl)c1=O)c1ccccc1F	1116942706	GOVNXAFLSRIEKD-UHFFFAOYSA-N	309.684	1.242	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)Cn1ccc(C(=O)OC)n1	879868217	GDPCCJTYDBSHOR-UHFFFAOYSA-N	316.361	1.684	50	20	DDGD	
CN1CCCC[C@H](C(=O)NNc2cnnc3ccccc23)C1=O	878848910	FGXBEYNEXCDVME-GFCCVEGCSA-N	313.361	1.331	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc(C)c(OC)c1	773060234	WFGPVRMEBVAGTR-UHFFFAOYSA-N	305.378	1.759	50	20	DDGD	
CN1C(=O)COc2ccc(NC(=O)NCC(Cl)Cl)cc21	878846928	OFKARSBQJUVPRV-UHFFFAOYSA-N	318.160	1.967	50	20	DDGD	
O=C(CO[C@@H]1CCOC1)NNc1ccc(C(F)(F)F)cn1	1116673218	SNGQBGDPGKFKOK-SECBINFHSA-N	305.256	1.349	50	20	DDGD	
COc1cc(C=NNC(=O)CNC(=O)c2ccco2)ccc1F	1116373541	JDHGNVFDZLYEKK-UHFFFAOYSA-N	319.292	1.307	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CNC(=O)CC1CCCCC1	887143439	ZAWYFNISLBYFKD-UHFFFAOYSA-N	307.394	1.024	50	20	DDGD	
COC(=O)C[C@@]1(NC(=O)C2CCC(Cl)CC2)CCOC1	1123790818	XYGAHOYZGWPUIP-MGULZYLOSA-N	303.786	1.622	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCSc2ccccc21)C1CCOCC1	883063974	JSYJFZPSKPIHKQ-ZDUSSCGKSA-N	320.414	1.840	50	20	DDGD	
Cc1cc(NC(=O)NNc2cnc3ccccc3n2)c(=O)n(C)c1	775680262	ATPHWHCCXVZTQR-UHFFFAOYSA-N	324.344	1.786	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cc(O)nc(C3CC3)c2)n1	771738354	ZJGDVAOISZPPSU-UHFFFAOYSA-N	314.349	1.278	50	20	DDGD	
COCCC1(C(=O)NNC(=O)c2ccc(C)c(O)c2)CCC1	882049698	ZTSSSYUOLIWNFT-UHFFFAOYSA-N	306.362	1.668	50	20	DDGD	
C[C@H]1CCCC[C@H]1OCCNC(=O)CN1CC=C(C#N)CC1	779588330	YIEJCNXQLJWJPC-GOEBONIOSA-N	305.422	1.854	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc(-c2ccccc2F)o1	779822883	IIXDFMPTKIKLTO-UHFFFAOYSA-N	319.292	1.892	50	20	DDGD	
N#Cc1ccc(NNC(=O)N[C@@H]2CCCC23CCOCC3)nc1	888973615	HSKIBDFLQOWTSS-CYBMUJFWSA-N	315.377	1.929	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)N1C[C@H]2C=C[C@H]1C2	883480173	URVKODBPNYNVOO-JSGCOSHPSA-N	310.357	1.642	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1ccc(OCCN(C)C)cc1	785458013	LTEBZZZWCZEWEL-UHFFFAOYSA-N	307.394	1.238	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cn(C)nc1C(F)(F)F	782817680	HVNSVAYYZVCSJB-LURJTMIESA-N	307.276	1.638	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](Oc1ccccc1)C(C)(C)O	887149068	ICRVCYAZWSIGEA-OAHLLOKOSA-N	318.373	1.156	50	20	DDGD	
Cc1cc(CC(=O)NN=C2CCC(=O)Nc3ccccc32)n[nH]1	783822696	WAHKAJCNBBFWKG-UHFFFAOYSA-N	311.345	1.513	50	20	DDGD	
C[C@H]1CN(CC(=O)NNC(=O)c2ccc(F)cc2)CC(C)(C)C1	784345300	APFCAYUOTIXSJP-GFCCVEGCSA-N	321.396	1.955	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccccc2S(N)(=O)=O)c(C)c1	788231358	FFFUEPVOQHXEIB-UHFFFAOYSA-N	319.386	1.708	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NC[C@H]1CCC=CO1	780753566	XXOPPRFQLXCOJR-CQSZACIVSA-N	319.361	1.226	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CN(C)C)c(OCC(C)C)c1	789902743	HIMNXUTXTQEALE-UHFFFAOYSA-N	323.393	1.053	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Cc1cccc(N2CCCC2=O)c1	784809188	ALYCLRAXFZQAHM-UHFFFAOYSA-N	317.389	1.549	50	20	DDGD	
COc1c(F)ccc(F)c1C(=O)NNC(=S)NC(C)(C)C	899996279	JFRSOKTVEJYNGU-UHFFFAOYSA-N	317.361	1.881	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cc2ccccc2O)c1	780790827	ABSCRNSSGDIKRL-UHFFFAOYSA-N	300.314	1.865	50	20	DDGD	
CN(CCNC(=O)NNc1ncncc1Cl)C1CCCC1	780987924	SLORQRGTKWGMAO-UHFFFAOYSA-N	312.805	1.631	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cc(N2CCCC2=O)ccc1F	782560574	YTRDNYPTCUBVNW-UHFFFAOYSA-N	322.340	1.761	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1ccnc(F)c1	794919084	OJUBDEFTCZEOGI-UHFFFAOYSA-N	301.281	1.095	50	20	DDGD	
CSCCONC(=O)NNC(=O)Cc1ccc(Cl)cc1	793255182	RIIAXPFFLNOIHB-UHFFFAOYSA-N	317.798	1.508	50	20	DDGD	
CCSc1cc(C(=O)NNC(=O)c2cccc(C)n2)ccn1	794080863	YPFFDZPGRRLQNK-UHFFFAOYSA-N	316.386	1.972	50	20	DDGD	
CCNc1nc(C)c(C(=O)NNc2nc3ccccn3n2)s1	792513298	LPCWWLCHSKUCEY-UHFFFAOYSA-N	317.378	1.683	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@H]2Cc3ccc(F)cc32)c1	793420243	YKSHKFGGSWHSDE-HNNXBMFYSA-N	309.300	1.798	50	20	DDGD	
CC(=O)N1CCC[C@H](CNC(=O)NNc2cccc(C#N)c2)C1	793307650	DLVXWKSKJZNXGH-CQSZACIVSA-N	315.377	1.443	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)CCCN1C(=O)CNC1=O	799759476	OPEXJQITYLDLDE-UHFFFAOYSA-N	318.377	1.333	50	20	DDGD	
CC[C@H]1CN(CC(=O)NNC(=O)c2ccc(C)cc2)CCCO1	799200921	OQGHEJVBHIRJKD-HNNXBMFYSA-N	319.405	1.257	50	20	DDGD	
Cc1cc(NNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)ncn1	798110918	TUEGOBQEBSOUFY-UHFFFAOYSA-N	317.305	1.524	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)c2ccc(Cl)nc2)on1	792977642	KOTDSJKQSOYKPP-UHFFFAOYSA-N	322.708	1.664	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCO[C@@H](C(C)(C)C)C1	790426890	ORPPKQOOENQUSJ-CHWSQXEVSA-N	313.442	1.315	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)C1=Cc2ccccc2OC1	791257028	YWJGQAQISHIKMM-UHFFFAOYSA-N	307.313	1.648	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2Cc3ccccc3S2)n1	794077432	WALLUZCVZJXLAU-CQSZACIVSA-N	313.382	1.868	50	20	DDGD	
COCCn1cc(C=NNC(=O)c2ccccc2Cl)cn1	1084527148	CAKKGEQNFTYARX-UHFFFAOYSA-N	306.753	1.947	50	20	DDGD	
CCCCC(=O)NN=Cc1ccc(OCC(=O)O)c(OC)c1	1083901390	FOOMBXOQTDQJGT-UHFFFAOYSA-N	308.334	1.799	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1ccncc1)c1ccc(F)c(F)c1	1319334465	UZQOFJZJGTWLOV-SNVBAGLBSA-N	319.311	1.853	50	20	DDGD	
O=C(NNc1ccc(Br)cc1F)C(=O)NC1CC1	1319596530	CJRVUZCQLJEPOB-UHFFFAOYSA-N	316.130	1.310	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1csc(-c2ccccc2)n1	1327208802	PNKXWOADHIYLSN-UHFFFAOYSA-N	306.347	1.345	50	20	DDGD	
Cc1nc([C@H](C)NC(=O)NNC(=O)Nc2ccccc2C)no1	1322752886	YHGXFLIRJJOJOY-VIFPVBQESA-N	318.337	1.783	50	20	DDGD	
COc1ccc2c(c1)OC[C@H]2CC(=O)NNc1ccn(C)n1	1325386488	REWJJFUVOODLQI-SNVBAGLBSA-N	302.334	1.438	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC[C@@H]2CCOC2)c(F)c1	1328191062	VLUYCZCQVGNFTA-VIFPVBQESA-N	311.313	1.275	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(Cl)cn2)cc1	1251958942	AKFSSMZFYOFQHX-UHFFFAOYSA-N	305.721	1.818	50	20	DDGD	
Cc1ncc(C)c(NC(=O)NNCC(F)(F)C(F)(F)F)n1	1333455514	PSQUWYZHAORSIR-UHFFFAOYSA-N	313.230	1.917	50	20	DDGD	
CC(=NNC(=O)CCO)c1cc(Br)cc(C)c1O	1255261453	HEHXRWICFRCKFU-UHFFFAOYSA-N	315.167	1.686	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NNC(=O)C2CCCC2)c(C)c1	1254703163	BFFDCAXFBMKCNE-UHFFFAOYSA-N	318.377	1.698	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2cnn3cccnc23)nn1	1339253077	OSYQXOHLDKJPEC-UHFFFAOYSA-N	311.349	1.574	50	20	DDGD	
COc1ccc2c(c1)c(C(=O)NNC(=O)CO)c(C)n2C1CC1	1337721111	LHTJMZUFKQHGSY-UHFFFAOYSA-N	317.345	1.047	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@@H]1c1cccs1)c1cn[nH]c1	1331536887	MBXBXURUHDMOCV-SNVBAGLBSA-N	305.363	1.663	50	20	DDGD	
COCc1ncc(CNC(=O)C2CCC(Cl)CC2)c(N)n1	1520184376	PYIMVNZWPOUGLP-UHFFFAOYSA-N	312.801	1.619	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1cccc2nc(O)[nH]c12	1606528347	AXZZASWUISUVQY-UHFFFAOYSA-N	313.273	1.119	50	20	DDGD	
Cc1ccccc1NNC(=O)C(=O)Nc1ccccc1C(=O)O	1607885270	KJLBJQVXGXBSGN-UHFFFAOYSA-N	313.313	1.775	50	20	DDGD	
O=C(O)c1cc(NNC(=O)c2nccnc2Cl)ccc1F	1602287515	INLGBDQZVZVCLS-UHFFFAOYSA-N	310.672	1.724	50	20	DDGD	
N#C[C@@]1(C(=O)NNc2cccc(F)c2C(=O)O)CCCOC1	1601051025	YZABVOWFNGTUIJ-AWEZNQCLSA-N	307.281	1.287	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)C1CCN(C2CC2)CC1	1602230068	CWRQDMLLTMIDPP-UHFFFAOYSA-N	321.352	1.841	50	20	DDGD	
Cc1nccc(CCC(=O)NNc2ccc(C(=O)O)c(F)c2)n1	1600749181	WGHBWKXRBKRDGP-UHFFFAOYSA-N	318.308	1.698	50	20	DDGD	
Cc1onc(CC(=O)NNc2ccc(CC(=O)O)cc2)c1C#N	1600864797	XJMIWHQNRZBYNU-UHFFFAOYSA-N	314.301	1.168	50	20	DDGD	
O=C(NC[C@H]1CCCNC1)NNc1ccc(C(=O)O)cc1F	1610691841	QTFBBEJZYXHGKZ-VIFPVBQESA-N	310.329	1.150	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H]2CC[C@H](C(=O)O)CC2)cc1	1610062461	UUSQTMNXFJWLIZ-HDJSIYSDSA-N	318.373	1.901	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1ccc(Cl)cn1	1549318962	FPFWETBGHRDUOZ-GXTWGEPZSA-N	322.796	1.438	50	20	DDGD	
Cn1cc([C@H]2OCCC[C@H]2C=NNC(=O)c2ccnnc2)cn1	1552452176	CCHWGLMDHNSSHH-FZMZJTMJSA-N	314.349	1.094	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@H]1C=NNC(=O)c1ccc[nH]1	1552761980	ZSOPWQGTKFIEPZ-AAEUAGOBSA-N	301.350	1.725	50	20	DDGD	
CCc1oc2ccccc2c1CC(=O)NNC(=O)[C@H]1CCN1	1578337998	PXYYHWUFZMQWOB-GFCCVEGCSA-N	301.346	1.047	50	20	DDGD	
NC(=O)NC1CCN(C[C@H](CBr)C2CC2)CC1	859160232	PQIBGQKGAMLZCZ-JTQLQIEISA-N	304.232	1.540	50	20	DDGD	
CCc1oc2ccccc2c1CC(=O)NNC(=O)[C@@H]1CCN1	1578337999	PXYYHWUFZMQWOB-LBPRGKRZSA-N	301.346	1.047	50	20	DDGD	
CC(C)(C(=O)O)n1ccc(NS(=O)(=O)CCCCCl)n1	1589681352	YEPBQHWJFJWIOX-UHFFFAOYSA-N	323.802	1.464	50	20	DDGD	
Cc1cc(C(=O)N2CCCC23CN(C(=O)[C@H](F)Cl)C3)no1	1842496803	WSFDCNFTXALRSE-JTQLQIEISA-N	315.732	1.334	50	20	DDGD	
N[C@@H]1CCCCCC[C@@H]1C(=O)NNC(=O)c1cccc(F)n1	1580183111	LUVGDSAQAXKIFA-WDEREUQCSA-N	308.357	1.279	50	20	DDGD	
CCC(=O)N1CC2(CCCN2C(=O)[C@H](F)Br)C1	1845216760	JGPXDCNZZATYJO-VIFPVBQESA-N	307.163	1.290	50	20	DDGD	
C[C@@H](CC(=O)O)CC(=O)NNc1nc(-c2ccncc2)no1	1592391164	DKHVJOUWKSWBQA-MRVPVSSYSA-N	305.294	1.076	50	20	DDGD	
CCOc1ccc(NNC(=O)Cn2cc(C(=O)O)cn2)cc1	1597125997	OKVULFDOTQBRIT-UHFFFAOYSA-N	304.306	1.123	50	20	DDGD	
C[C@H](CC(=O)O)CC(=O)NNc1c(F)c(F)nc(F)c1F	1592391431	KWHXTOZQXTYLSD-BYPYZUCNSA-N	309.219	1.582	50	20	DDGD	
CCc1cc(C(=O)O)c(C=NNC(=O)NCCCOC)s1	1776039656	PTKGTMHMSUCOBK-UHFFFAOYSA-N	313.379	1.678	50	20	DDGD	
Cn1ncc(C(=O)O)c1/C=C(\C#N)C(=O)NCc1ccccc1	1776118147	UNYAPJMHCGTCKR-KPKJPENVSA-N	310.313	1.342	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NN=Cc1ccc(C(=O)O)cc1Cl	1776102497	REBHCYQWIRBLKE-JQWIXIFHSA-N	310.737	1.913	50	20	DDGD	
O=C(O)/C=C\c1ccc(C=NNC(=O)c2ccc(O)nc2)o1	1776094182	FWHMUCUKJDLYSO-MMQVGAAWSA-N	301.258	1.242	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)=O)C2	1793680310	RUTLXKXUZKEVRK-YVECIDJPSA-N	314.813	1.621	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CCc1nc(-c2ccoc2)no1	158450170	KHVOSTBFXVWYKE-UHFFFAOYSA-N	322.321	1.818	50	20	DDGD	
C=C[C@H](CC(=O)NNC(=O)NCCCOC)c1ccccc1	160408270	DMPOYFKRKRECHQ-CYBMUJFWSA-N	305.378	1.713	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NCC2(C3CC3)CC2)n1	152254115	XZYRIWMOLGMNIL-UHFFFAOYSA-N	305.382	1.021	50	20	DDGD	
CS(=O)(=O)N1CCN(C(=O)c2cccc(CCl)c2)CC1	37829260	QNWXLKRWOFRHNP-UHFFFAOYSA-N	316.810	1.143	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)N2CCc3ccccc32)o1	176208474	FWRGARWLTYEQQF-LBPRGKRZSA-N	313.357	1.800	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1	107208319	DEYIBRLEAYTXEU-NWDGAFQWSA-N	323.780	1.116	50	20	DDGD	
CCN1CCCC[C@@H]1CNC(=O)NNC(=O)c1ccccc1O	111884224	LQYUUZHAPJUOGF-GFCCVEGCSA-N	320.393	1.211	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2ccccc2OC)n1	174474082	KZZHPQWFSUMYEO-UHFFFAOYSA-N	302.334	1.488	50	20	DDGD	
CCN(Cc1ccc(C(=O)NNC(=O)CN(C)C)cc1)C(C)C	113427263	LSWULLRSOTXFFB-UHFFFAOYSA-N	320.437	1.240	50	20	DDGD	
Cc1noc(C)c1CSCC(=O)NNC(=O)c1ccccc1	27575976	QLHBBGIUQTXQOA-UHFFFAOYSA-N	319.386	1.986	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCc1ccccc1	67454699	WAMLEXBFWUGJJV-UHFFFAOYSA-N	313.357	1.882	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN(C)c2ccccc2)n1	26463031	OUKYQJNQAYLBCB-UHFFFAOYSA-N	318.402	1.278	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2n[nH]c3c2CCC3)c1	119336508	YTSLFUFFXWOTKW-UHFFFAOYSA-N	314.345	1.047	50	20	DDGD	
CC(C)CC(=O)NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1	111054635	ANOYUOJWOMFUKU-UHFFFAOYSA-N	306.370	1.364	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnn(-c2ccc(F)cc2)c1C	65190013	SJAYTJUTLSCCLN-UHFFFAOYSA-N	305.313	1.284	50	20	DDGD	
Cn1ccnc(NNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1=O	132523372	OLNHIWVNASIOFD-YNEHKIRRSA-N	304.394	1.830	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)NC2CCCC2)cc1F	65832969	ZLZYKFGPARXCDW-UHFFFAOYSA-N	315.370	1.569	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCO[C@@](C)(c2ccccc2)C1	121230658	OMXUHEWVHFHJND-CXAGYDPISA-N	319.405	1.180	50	20	DDGD	
COc1ccc(F)cc1CC(=O)NNc1nc(C)cc(C)n1	185547250	ZBQIPKLTZIAYRN-UHFFFAOYSA-N	304.325	1.927	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2cn(CC3(C)COC3)nn2)c1	184022594	JSAGAIJINKFVFQ-UHFFFAOYSA-N	319.340	1.519	50	20	DDGD	
C[C@@H](NC(=O)CC1CCCCC1)C(=O)NNc1cccnn1	77029724	XNWIDJYCPGPGRF-LLVKDONJSA-N	305.382	1.395	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Nc2nc3ccccc3s2)cn1	182709595	IPXCYWWWMBOQQG-UHFFFAOYSA-N	316.346	1.496	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C2CCN(C)CC2)c1	72795879	MYOXYCYHKSAVMS-UHFFFAOYSA-N	319.405	1.171	50	20	DDGD	
COc1ccc(NNC(=O)NC2CCN(CC3CC3)CC2)nc1	188914549	WCBHJHQKNDZNMS-UHFFFAOYSA-N	319.409	1.591	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1cnn(-c2ccc(F)cc2)n1	182500817	PSNWDSZKJBPFEU-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
CC(=O)NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1	76993818	PQASSXSZYUPQIS-UHFFFAOYSA-N	305.359	1.950	50	20	DDGD	
CCOc1cc(/C=C/C(=O)NNC(=O)c2ccc[nH]2)ccc1O	181784725	NXTFUXDUBFHNKL-SOFGYWHQSA-N	315.329	1.593	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C(C)(Cl)Cl)c1O	181882079	BCCBTZOQMQSKII-UHFFFAOYSA-N	307.133	1.356	50	20	DDGD	
C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)N(C)C	186278554	USFVJXMYZNWKOV-SECBINFHSA-N	311.769	1.851	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1ccc(OCc2ccccc2)cc1	131768689	OKGMIQCXOVULNV-UHFFFAOYSA-N	320.370	1.595	50	20	DDGD	
O=C(CO)NNC(=O)Nc1cccc(C#Cc2ccccc2)c1	183500997	SAUWTBVJFFQHSC-UHFFFAOYSA-N	309.325	1.231	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1cccc(O)c1O	193050511	CNTVEGYHUKLOJM-UHFFFAOYSA-N	304.277	1.241	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2cccc(C)c2C#N)o1	137629318	CEAYPJYHVYTUKV-UHFFFAOYSA-N	319.342	1.391	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2n[nH]c3c2CCCCC3)o1	190601865	HQIXKWXMGIHWSB-UHFFFAOYSA-N	302.334	1.655	50	20	DDGD	
C[C@H](CCC(=O)NNC(=O)C(=O)N1CCCC1)c1ccccc1	130784254	ATUPYXFCJOJTOP-CYBMUJFWSA-N	317.389	1.340	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(NC(=O)C(C)C)ccc1C	48256193	SCHUJCFBQNPTKN-UHFFFAOYSA-N	308.338	1.982	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCc2c(C)noc2C)c(O)c1	80387992	PHJJNIQIVMMROE-UHFFFAOYSA-N	317.345	1.699	50	20	DDGD	
COCc1cc(C(=O)NNc2nc(-c3ccccc3)no2)no1	80183749	YWDIPAKXRRLFRS-UHFFFAOYSA-N	315.289	1.628	50	20	DDGD	
CC[C@H]1CCCCN1CCNC(=O)NNC(=O)c1ccc(C)o1	84158837	FVMSEZKPDQUXNY-ZDUSSCGKSA-N	322.409	1.797	50	20	DDGD	
O=C(NNC(=O)c1cccc(OC(F)F)c1)c1ccnnc1	131483441	XCTSLWISSQWSRK-UHFFFAOYSA-N	308.244	1.153	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cccc(C(N)=O)n1	130341449	QOHSHXBDKRKGRC-UHFFFAOYSA-N	321.768	1.485	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)Cc1cn2ccccc2n1	194773315	VCYPYHVAOVLXPY-UHFFFAOYSA-N	322.368	1.657	50	20	DDGD	
COCCCCC(=O)NNC(=O)NCc1ccc(Cl)cc1	191610644	BBMLENKYIPTPAH-UHFFFAOYSA-N	313.785	1.987	50	20	DDGD	
CCCCNC(=O)NNC(=O)C1=Cc2cc(F)ccc2OC1	90370380	YCKOVCLJSKDEGB-UHFFFAOYSA-N	307.325	1.732	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)[C@H]1CC1(C)C	90509058	SDIPCXRVRHGNCY-SNVBAGLBSA-N	308.403	1.981	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2=Cc3cc(F)ccc3OC2)o1	90426323	UNYLGBJJKCQTIC-UHFFFAOYSA-N	316.288	1.964	50	20	DDGD	
C[C@H]1CCC[C@H]1NC(=O)NNC(=O)COc1ccccc1O	264633773	UPQRVSXNYMVMSN-WDEREUQCSA-N	307.350	1.290	50	20	DDGD	
C[C@H](O)c1cn(CC(=O)NNc2ccc(Cl)c(F)c2)nn1	269581981	BNKDWHXBQYHTAW-ZETCQYMHSA-N	313.720	1.267	50	20	DDGD	
CS[C@@H](C)CNC(=O)NNC(=O)COc1ccc(C#N)cc1	269951155	YFGQIJKJLUUXNR-JTQLQIEISA-N	322.390	1.019	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)Nc1ccc(C#N)cc1	265870981	MFNOBZGHAMZKCP-UHFFFAOYSA-N	317.349	1.016	50	20	DDGD	
CCC1(CC)CCN(C(=O)NNC(=O)Cc2cccnc2)C1	267930427	DTWHJMARNRWBCN-UHFFFAOYSA-N	304.394	1.877	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)[C@@H]1CCCc2ccccc21	265763262	CJGJROPVNKTHKK-GFCCVEGCSA-N	308.345	1.916	50	20	DDGD	
C[C@@H]1CN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C[C@H](C(N)=O)O1	268425965	HTPOLNIRKAWICD-CWTDUHOMSA-N	316.317	1.034	50	20	DDGD	
COC(=O)NNC(=O)[C@@H](c1ccccc1)N1CCCCC1=O	274320169	XAZCTROJVXMHNP-CYBMUJFWSA-N	305.334	1.127	50	20	DDGD	
CCCc1[nH]nc(C(=O)NNc2ncccc2C)c1[N+](=O)[O-]	276745650	OYOJZRNXJMBPQY-UHFFFAOYSA-N	304.310	1.731	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C[C@@H]2CCC(=O)[C@@H]2C)c1O	279950830	BDODPHQZYXKGHZ-ZJUUUORDSA-N	320.345	1.167	50	20	DDGD	
COCC(=O)N(C)CC(=O)NNc1cc(Cl)ccc1Cl	270451488	FENWWIROXYIFSR-UHFFFAOYSA-N	320.176	1.541	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@H](CO)c1c(F)cccc1F	272436067	OSNBGGCWWYHIBN-SNVBAGLBSA-N	315.320	1.375	50	20	DDGD	
CN(C)c1ccc(CCC(=O)NNC(=O)c2ccc[nH]2)cc1	279183117	DBRZXAKAMPGXPI-UHFFFAOYSA-N	300.362	1.475	50	20	DDGD	
CC(=O)c1cccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)c1	274205269	MESCCQOOUFJPFI-UHFFFAOYSA-N	321.333	1.384	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)CCO1	272101475	PYADAPBMVUISQG-IJLUTSLNSA-N	324.352	1.556	50	20	DDGD	
Cc1cccnc1NNC(=O)NC1CCN(CC2CC2)CC1	276748966	ZSNYTYOQLJJQEB-UHFFFAOYSA-N	303.410	1.891	50	20	DDGD	
C[C@@H]1COCC[C@@H]1CNC(=O)NNC(=O)c1ccccc1F	288899753	ZUAFDDCFABKUCN-GHMZBOCLSA-N	309.341	1.442	50	20	DDGD	
Cc1sc2ncc(C(=O)NCC(Cl)Cl)c(=O)n2c1C	288809542	GOZAEAJRBXSEEX-UHFFFAOYSA-N	320.201	1.906	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C(C)(Cl)Cl)cc1	282377653	CRZYAPZYYQYURR-UHFFFAOYSA-N	318.160	1.275	50	20	DDGD	
COCC1(CNC(=O)NNc2nc(C)cc(OC)n2)CCC1	282856128	ODWXDLNBDWTXOO-UHFFFAOYSA-N	309.370	1.236	50	20	DDGD	
CN(C)CCn1nccc1NC(=O)NNc1cccc(F)n1	297160444	GTWYUBFKCXNKFC-UHFFFAOYSA-N	307.333	1.127	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)Cn3cccn3)cc2C1	298078660	NGDSPTCNMZVZRB-SNVBAGLBSA-N	318.402	1.531	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)C(=O)c2ccc(O)cc2)c1	807183270	OQSGXGGZWHBLBM-UHFFFAOYSA-N	316.704	1.638	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)COC(F)F)c(C)c1	806365710	UBMRVAUOWXXBJQ-UHFFFAOYSA-N	301.293	1.102	50	20	DDGD	
O=C(CCn1cccn1)NNc1nc(C(F)(F)F)cs1	294787602	AYGBXYRKIPOPCU-UHFFFAOYSA-N	305.285	1.892	50	20	DDGD	
O=C(NNc1nnc[nH]1)[C@@H](c1ccccc1)N1CCCCC1=O	294090274	ZPUOCDDABRAHIT-CYBMUJFWSA-N	314.349	1.002	50	20	DDGD	
O=C(C[C@@H]1CCCC(=O)N1)NNC(=O)Nc1cccc(Cl)c1	291561851	CNQJUOHWQCZSKI-NSHDSACASA-N	324.768	1.552	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNc2cccc(F)n2)nc1C	804769027	FDCXNFKFOMDBQH-UHFFFAOYSA-N	318.308	1.858	50	20	DDGD	
CN(C)c1ccc(C2(C(=O)NNC(=O)[C@@H]3CCCO3)CC2)cc1	294601322	JCRXTQQIVIAGFK-AWEZNQCLSA-N	317.389	1.111	50	20	DDGD	
CSSCCNC(=O)N1CCC[C@H](CCNC(C)=O)C1	807226822	UTASZVLXYLCZEJ-GFCCVEGCSA-N	319.496	1.945	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCC[C@H](C)CCO)cc(C#N)n1C	295843874	CXFVNWHQVRDPTO-AAWHYMEISA-N	314.389	1.637	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)cc1	802056175	ZMFURNYZECPONC-GBIKHYSHSA-N	307.350	1.661	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)O)CCC1=NNC(=O)c1ccnc(N(C)C)c1	814844231	FBFRZAXPTNMDFA-JQWIXIFHSA-N	318.377	1.754	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CCCCCC(=O)C2)nc1	813501366	XVTRNSRIMIOBGE-NSHDSACASA-N	319.361	1.851	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(O)c(CC)c1	811306512	VKYMCRGUJIPVCN-VIFPVBQESA-N	308.334	1.057	50	20	DDGD	
CCN1C(=O)C(=NNC(=O)Cc2cc[nH]n2)c2cc(C)ccc21	814957736	UMYHAICVIJMYPZ-UHFFFAOYSA-N	311.345	1.148	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCCO2)C1CCN(C)CC1	814788916	PCQYHHXSMFWOOD-UHFFFAOYSA-N	317.389	1.905	50	20	DDGD	
CO[C@@H]1CCC[C@H](C(=O)NNC(=O)COCc2ccccc2)C1	814411161	MTINSNLOFTUACJ-LSDHHAIUSA-N	320.389	1.556	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1cc(F)ccc1OC(F)F	817348003	FDZQYDDRSBRGFW-UHFFFAOYSA-N	312.269	1.147	50	20	DDGD	
O=C(CSC[C@@H]1CCCCO1)NNc1ncncc1F	817067923	SMPUEKTXGXPZEQ-VIFPVBQESA-N	300.359	1.361	50	20	DDGD	
CC(C)n1nccc1NC(=O)C(=O)NNc1cccc(Cl)n1	815728689	PAXUKQICYKGILJ-UHFFFAOYSA-N	322.756	1.594	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)CSc1ccccc1O	814969092	JFRUBYUQCWDKAE-NSHDSACASA-N	321.402	1.645	50	20	DDGD	
Cc1ccc(C2(C(=O)NNC(=O)c3c[nH]nc3C)CCC2)cc1	819253073	ATMFPBULDWFQII-UHFFFAOYSA-N	312.373	1.909	50	20	DDGD	
CCOC(=O)[C@@H](NNC(=O)c1cnccn1)c1ccccc1	818347005	MICWZKYQWCBPLX-ZDUSSCGKSA-N	300.318	1.015	50	20	DDGD	
CC[C@H](C)CONC(=O)NNC(=O)COc1ccccc1O	813824606	PNVXTCXNEITION-JTQLQIEISA-N	311.338	1.079	50	20	DDGD	
CC(C)C(=O)NNC(=S)NCCc1ccc2c(c1)OCCO2	726745249	CEULHHQZAVHCRY-UHFFFAOYSA-N	323.418	1.152	50	20	DDGD	
COc1cccc(CCNC(=O)/C(C#N)=C/c2cnn(C)c2)n1	826966425	MNPJONBOLJYZEL-MDWZMJQESA-N	311.345	1.090	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)CSC(C)C)cn1	729692708	YVCBTGFMROPWHL-UHFFFAOYSA-N	314.436	1.549	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)C1=C(c2ccccc2)SCCO1	823913486	VNZZIYZEWQIVID-LLVKDONJSA-N	308.403	1.462	50	20	DDGD	
CC(C)(C)c1cccc(C(=O)NNC(=O)CN2CCCC2=O)c1	827831991	SQMAPDNBJADZPV-UHFFFAOYSA-N	317.389	1.368	50	20	DDGD	
CCOc1ccc(OC(C)(C)C(=O)NN(C)[C@@H](C)CO)cc1	823977160	PTOHAJZRQVDPOD-LBPRGKRZSA-N	310.394	1.587	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCC(=O)OC2CCCCC2)cn1	491108062	WYAMCNYYTVKEBU-QPEQYQDCSA-N	316.361	1.319	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC2(CCO)CCCCC2)cn1	491108948	ZCFPVSVAHBWZLY-NTEUORMPSA-N	302.378	1.529	50	20	DDGD	
COCCCOCC(=O)NNc1cccc(F)c1C(=O)OC	822727972	KDNHLHWKLPNWIV-UHFFFAOYSA-N	314.313	1.109	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)c1cc2n(n1)CCCC2	823602985	XTJLGFRZNYDAMR-UHFFFAOYSA-N	302.309	1.433	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1cc(OC)ccc1Cl	491527873	NETTZGRUFOKTKZ-UHFFFAOYSA-N	308.743	1.288	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H](C(=O)NNc1cccnn1)C1CCC1	496041789	GUNFCTDLHQPDJP-GFCCVEGCSA-N	321.381	1.613	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)Cc1cccnc1)c1ccccc1	728957199	MKMYIPURGKPTQL-CYBMUJFWSA-N	312.373	1.758	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NC[C@H](O)c2ccccc2)c1	728953106	MQDNSWCEGSZCCF-HNNXBMFYSA-N	324.340	1.236	50	20	DDGD	
O=C(CCN1CCOC1=O)NNC(=O)c1cc2ccccc2o1	493072155	DVHVFZXPHHNVSZ-UHFFFAOYSA-N	317.301	1.036	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)c1	822194620	HNMKBZQEPVUIBR-IPYPFGDCSA-N	302.374	1.957	50	20	DDGD	
CC[C@@H](C)n1nc(NC(=O)NNC(=O)c2cc[nH]n2)cc1C	822384299	YDZPGEWALGQGRR-MRVPVSSYSA-N	305.342	1.352	50	20	DDGD	
COc1ccccc1C1(CNCc2cccc(B(O)O)c2)CC1	585020885	LKSHACMBWQAXAN-UHFFFAOYSA-N	311.190	1.196	50	20	DDGD	
Cc1ccc(F)c(CN(C)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	827272454	AGKSEKZJSLGXJB-AAEUAGOBSA-N	323.368	1.732	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2cnc(CC(F)(F)F)s2)cn1	901195694	HDXCEEZVHCWIIC-UHFFFAOYSA-N	317.296	1.745	50	20	DDGD	
CC1CCN([C@H](CNC(=O)NNC(=O)C2CCC2)C(C)C)CC1	732238587	ILQFQAIIGLYIEZ-OAHLLOKOSA-N	324.469	1.873	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](n2ccnc2)C1	732200704	JTIDMFZPJIRLFV-ZIAGYGMSSA-N	321.425	1.102	50	20	DDGD	
COc1ccc(NNC(=O)/C=C/c2cnc(OC)nc2)nc1	492703637	KJPPUPAIDGTMEJ-ZZXKWVIFSA-N	301.306	1.045	50	20	DDGD	
CC(C)NC(=O)OC1CN(C(=O)[C@]2(C)C[C@@H]2Br)C1	908215485	WGYXGOJXJIETDB-JOYOIKCWSA-N	319.199	1.505	50	20	DDGD	
CCO/C=C\C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	492927972	SJKMBLLANICXCI-SREVYHEPSA-N	324.333	1.024	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)NCc1cocn1	730909615	DSUJPLPLPIWXLX-UHFFFAOYSA-N	324.340	1.901	50	20	DDGD	
C[C@H](NS(=O)(=O)CCl)C(=O)N1c2ccccc2C[C@@H]1C	832545354	SRGISRYKKPAUCV-UWVGGRQHSA-N	316.810	1.468	50	20	DDGD	
CC(=NNC(=O)Cc1ccccn1)c1cccc(-c2nn[nH]n2)c1	735447135	JKHFQFKLKOXRIF-UHFFFAOYSA-N	321.344	1.345	50	20	DDGD	
CC[C@H](Sc1ccccc1)C(=O)NNc1nnc(C)c(O)n1	732264788	XHTBENAJPOYUMH-NSHDSACASA-N	319.390	1.900	50	20	DDGD	
CCOc1ccc(NNC(=O)NC[C@H]2CCCNC2=O)cc1	838780082	WPUPRUQAOUSURZ-LLVKDONJSA-N	306.366	1.238	50	20	DDGD	
CSCCNC(=S)NNC(=O)CCCc1cccnc1	831575669	SNTNUOMHQMPZKY-UHFFFAOYSA-N	312.464	1.263	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cccc(Oc2cnccn2)c1	736553976	JIRVFVBDLMZSBL-UHFFFAOYSA-N	301.306	1.185	50	20	DDGD	
C=CC[C@@H]1N(C(=O)c2ccc(B(O)O)c(F)c2)CCCC1(C)C	584982989	SBOKSMRVJBDWGG-HNNXBMFYSA-N	319.185	1.712	50	20	DDGD	
Cc1cc(NNC(=O)c2nnn(-c3ccccc3)c2C)ncn1	734253605	MKODQDKJTFZBEH-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H](COC)[C@H]2CCCO2)cc1	838573849	PNYIKHZPPHRJPO-LSDHHAIUSA-N	323.393	1.905	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1	832754198	FGUVLVNHQOKJJQ-KGLIPLIRSA-N	304.390	1.564	50	20	DDGD	
CCOc1ccc(CNCc2ccccc2B(O)O)cc1OC	585016858	BVCMEOZLNQEZQB-UHFFFAOYSA-N	315.178	1.064	50	20	DDGD	
Cc1cccc(CC2(O)CCN(S(=O)(=O)CCl)CC2)c1	831344218	PRLJKBKHUOLXMI-UHFFFAOYSA-N	317.838	1.891	50	20	DDGD	
O=C(C[C@@H]1CC(=O)N1)NNc1c(Cl)cc(F)cc1Cl	831534346	GNTHKETVYNRLMR-LURJTMIESA-N	306.124	1.854	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1cccnc1)c1ccc2ccccc2c1	732273227	NCZFEANZHNZNHC-INIZCTEOSA-N	321.336	1.729	50	20	DDGD	
CCCCCCO[C@H](C)C(=O)NNC(=O)Cc1cccnc1	839653735	DMODTVKWNDFSDJ-CYBMUJFWSA-N	307.394	1.757	50	20	DDGD	
CO[C@@H](C1CC1)[C@@H](C)NC(=O)NNc1ncc(F)cc1F	838702689	UNTHFZPBNAQIHS-RDDDGLTNSA-N	300.309	1.799	50	20	DDGD	
O=C(c1cccc(OC2CCCC2)c1)N1CC[C@@H](B(O)O)C1	585065215	DSKSJKZAYDMSKM-CYBMUJFWSA-N	303.167	1.697	50	20	DDGD	
C[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccc(B(O)O)cc2)C1	584996422	HHJRSVGJKVUBCA-YOEHRIQHSA-N	323.201	1.632	50	20	DDGD	
CCCOc1ccc(/C=C/C(=O)N2CC[C@@H](B(O)O)C2)cc1	585077721	TZXQPGBZNCVEOA-LHRNQBEKSA-N	303.167	1.564	50	20	DDGD	
C[C@@]1(C(=O)NC[C@H](O)Cc2ccccc2)C[C@H]1Br	908187819	JSBXEZNZMOSPMV-YRGRVCCFSA-N	312.207	1.880	50	20	DDGD	
CCc1cnccc1CNC(=O)NNC(=O)[C@H]1CCCCO1	838539691	DBWWDXIBYQSMOK-CYBMUJFWSA-N	306.366	1.044	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccccc1F)c1ccn(C)n1	838772683	HMBUZXYWCBSNSG-SNVBAGLBSA-N	319.340	1.193	50	20	DDGD	
C[C@@H]1CCC[C@H](CNC(=O)NNC(=O)N=c2cc[nH]cc2)[C@@H]1C	836439648	ZEMKAZSAKNAALK-JHJVBQTASA-N	319.409	1.912	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@@H]2CC[C@@H](C)O2)cc1	838738787	GAACQUNXXXILKP-RISCZKNCSA-N	305.378	1.761	50	20	DDGD	
O=C(Cc1cccc(C(F)F)c1)NNC(=O)[C@@H]1CCCCO1	833236701	UVNCBQUAMAQSNH-LBPRGKRZSA-N	312.316	1.883	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NNC(=O)C(C)(C)C)cc1C	917743856	OEYLQBAGDOEYCT-UHFFFAOYSA-N	314.407	1.749	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)NCCCS(C)(=O)=O	918158928	IJXLBVQVGVPZEE-UHFFFAOYSA-N	319.814	1.709	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cc1c[nH]c2cc(F)ccc12	843649405	UUFYYXLYSKVARN-BXKDBHETSA-N	319.336	1.422	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)N[C@@H]1CCCC[C@H]1F	840441065	MEFUTVJBDCJVAX-CHWSQXEVSA-N	311.332	1.979	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NNc1ccc(CC(=O)OC)cc1	846373601	APRAXFVIJXBFRS-ZRDIBKRKSA-N	303.318	1.289	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H]1COCC[C@@H]1c1ccccc1	841438426	IZQAGHYFESZVMI-HUUCEWRRSA-N	302.374	1.754	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)NC[C@H](C)CN)cc2C1	841963904	XBTXVHYOXXFZFM-VHSXEESVSA-N	324.450	1.412	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(F)cc1F)[C@H](C)S(C)(=O)=O	841409890	XKEMYDFUAJIGQJ-SFYZADRCSA-N	306.334	1.477	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCC[C@@H](CO)[C@@H]1C	841584346	IAHPJECUBPUYGD-RYUDHWBXSA-N	321.377	1.142	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CSc1ccc(C#N)cc1	843649612	VYSRGVYZZPFKLY-GXFFZTMASA-N	319.386	1.223	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1F)c1nccn2ccnc12	743332185	NWXBWHUAUYJYCT-UHFFFAOYSA-N	307.235	1.904	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(C2CC2)cnc1Cl	843657766	RUXUNSXAZXBENY-KCJUWKMLSA-N	323.780	1.798	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C2(C3CCCCC3)CC2)n[nH]1	911420677	VQMJTHAIVSIDTO-UHFFFAOYSA-N	304.394	1.769	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc2c(c1)NC(=O)CCS2	910178461	XBFCVGHJGBDKSZ-SECBINFHSA-N	309.391	1.078	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1O)[C@H](C)O	842227439	RIZBGPJSBPUGHC-IONNQARKSA-N	300.742	1.214	50	20	DDGD	
COc1ccc(C(=O)NNc2ccnc(N(C)C)n2)c(F)c1	740112852	REWVHGFUPADJOA-UHFFFAOYSA-N	305.313	1.447	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@H](O)c2ccccc2)o1	746184261	IRSWWEAOTONELE-GFCCVEGCSA-N	300.318	1.846	50	20	DDGD	
C=C[C@H](C)ONC(=O)NNC(=O)c1ccc(OC)cc1OC	845636013	LMUOGYBDKDXMAE-VIFPVBQESA-N	309.322	1.154	50	20	DDGD	
CCCNC(=O)NNC(=O)C[C@H](C)N1CCc2ccccc21	847395161	RJPNRFRVUXZKTG-LBPRGKRZSA-N	304.394	1.568	50	20	DDGD	
NCc1cc(NC(=O)NNC(=O)C2CC2)cc(C(F)(F)F)c1	841323869	RRWAXCVPBISCPA-UHFFFAOYSA-N	316.283	1.727	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)Cc2ccncc2)CCc2ccccc21	843562024	ZJJXMYXIYVZSDF-SFHVURJKSA-N	309.369	1.676	50	20	DDGD	
CC(C)[C@@H]1CCC[C@H](NC(=O)NNC(=O)c2ncccn2)C1	841592654	VDFIUIMCKAQGQR-NEPJUHHUSA-N	305.382	1.635	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1ncccn1	841350142	GHUULPYDZCWNFQ-NXEZZACHSA-N	302.359	1.411	50	20	DDGD	
O=C(CCCOc1cccnc1)NNC(=O)c1ccccc1F	742472454	OAFYIMZBZUZJPF-UHFFFAOYSA-N	317.320	1.841	50	20	DDGD	
Cc1ccc(-c2n[nH]cc2C=NNC(=O)[C@@H]2CCO[C@H]2C)o1	842555723	KVGDELJCFASSJG-CMPLNLGQSA-N	302.334	1.853	50	20	DDGD	
COc1ccc(SC)c(OC)c1C(=O)NN(C)C[C@H](C)O	910156636	VETIUDGEJOEPFS-VIFPVBQESA-N	314.407	1.383	50	20	DDGD	
Cn1c(NNC(=O)CCCCCNC(N)=O)nc2ccccc21	848379749	PLHDNJWRVFSCJC-UHFFFAOYSA-N	318.381	1.245	50	20	DDGD	
CC(C)C1CCC(CNC(=O)NNC(=O)c2ncccn2)CC1	841591286	BQRFTUSTDCDHIH-UHFFFAOYSA-N	319.409	1.883	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNC(=O)COc1ccc(F)cc1	841376867	YFWUNDVVUVPPAJ-ZDUSSCGKSA-N	312.341	1.413	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)CN2[C@@H](C)CC[C@H]2C)o1	746184764	MPOGOBFVGSHIEZ-PHIMTYICSA-N	305.382	1.986	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C1CCN([C@@H]2CCSC2)CC1	848143781	FKIPMORCBXPDNR-CYBMUJFWSA-N	311.451	1.151	50	20	DDGD	
CCOc1nc2sccn2c1C=NNC(=O)[C@@H]1CCO[C@H]1C	842557801	WHRSWXYOVDMSPB-VHSXEESVSA-N	322.390	1.670	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@H]1CCc2nncn2C1	846639230	LAFDOXQYEUMNJK-VIFPVBQESA-N	305.313	1.132	50	20	DDGD	
CCN(CC)C[C@H](C)NC(=O)NNc1ccc(Cl)nn1	921119513	CHGPYVSDUACKLE-VIFPVBQESA-N	300.794	1.486	50	20	DDGD	
O=C(COC(F)(F)F)NNC(=O)C12CC3CC(CC(C3)C1)C2	929256711	BCVOCQSENUMYQP-UHFFFAOYSA-N	320.311	1.887	50	20	DDGD	
C[C@]1(C(=O)N[C@H](CO)C[C@@H]2CCCO2)C[C@H]1Br	923738355	FGRDPCGZUMDURD-GUDRVLHUSA-N	306.200	1.206	50	20	DDGD	
COCc1ncsc1C(=O)NNc1ncc(F)cc1F	857533947	SLPWTIPICMOJNU-UHFFFAOYSA-N	300.290	1.720	50	20	DDGD	
Cc1cc(CNC(=O)NC[C@@]2(C)C[C@@H]2Br)ncn1	856844010	ISTIUBWEGMVLDA-CMPLNLGQSA-N	313.199	1.758	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cn(C)nc1C(F)F)C1CC1	855098067	DCLZJKYOKWKQIF-ZCFIWIBFSA-N	317.365	1.265	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccnn2C(C)C)cc1F	850704528	GWEKCAAYTVCMTG-UHFFFAOYSA-N	319.340	1.993	50	20	DDGD	
O=C(CCc1ccccc1N1CCOCC1)NNC(=O)C1CC1	854180930	SJXPZSGNQVKBKN-UHFFFAOYSA-N	317.389	1.013	50	20	DDGD	
CN(C[C@@H]1COCCO1)C(=O)/C(C#N)=C/c1ccc(O)cc1	855680854	CBYBSPYTLVPVDH-XETPBLJFSA-N	302.330	1.173	50	20	DDGD	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NNC(=O)CO)cc1	755757403	UFUHWYXUCNNQKU-OAHLLOKOSA-N	324.340	1.487	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCc1nc2c(s1)CCC2	926577603	YCSPHKVPCZZKJP-UHFFFAOYSA-N	324.450	1.941	50	20	DDGD	
Cc1noc(C(F)F)c1C(=O)NNC(=S)N[C@H](C)C1CC1	855100552	DWOFRTODQKAAMV-RXMQYKEDSA-N	318.349	1.828	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2C[C@@H](C)Cc3c[nH]nc32)n1	857859130	CDFJCCZKNJYHHU-GZMMTYOYSA-N	316.365	1.326	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1coc(C2CC2)n1	854284023	UMAUQVAVXAMSNL-UHFFFAOYSA-N	312.395	1.040	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC[C@H](c2ccc(F)cc2)C1	755993107	APAHDHOEFVYYFH-YPMHNXCESA-N	307.369	1.561	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C=NNC(=O)c1cc[nH]n1	853391597	TYKBYOUKGOSDII-GXFFZTMASA-N	302.338	1.027	50	20	DDGD	
CC(C)CNC(=S)NNC(=O)c1ccc2c(c1)OCCO2	754100693	IZIKFBDWEXJYLX-UHFFFAOYSA-N	309.391	1.223	50	20	DDGD	
CSCC1(CCNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)CC1	852394104	MJPIQVYYBPRLLV-QWRGUYRKSA-N	315.439	1.275	50	20	DDGD	
COCC[C@H](C)NC(=O)NNc1ccc([N+](=O)[O-])cc1F	853608064	DSLZIYYBWQZVHE-QMMMGPOBSA-N	300.290	1.785	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC12CCC2)c1cc(Br)c[nH]1	759692498	COHJMPBPBLEEPN-MRVPVSSYSA-N	312.167	1.728	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2cc(C)ns2)cc1	756859160	ZGKOLBSQCSCSOF-UHFFFAOYSA-N	320.374	1.992	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2nc3c(s2)CCC3)o1	924592538	VJOXYADPYOYUHP-UHFFFAOYSA-N	320.374	1.677	50	20	DDGD	
O=C(C[C@@H]1CCS(=O)(=O)C1)NNc1cc(F)cc(Cl)c1	855619809	WHVZUOYELSILGN-QMMMGPOBSA-N	320.773	1.747	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=S)NCCc1cccs1	755632014	JXIYQPJTRKNXNP-SNVBAGLBSA-N	315.464	1.459	50	20	DDGD	
CCC[C@H](O)CC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	750069695	YRRIIGQTYBDITD-KBPBESRZSA-N	322.405	1.769	50	20	DDGD	
CC(C)CCO[C@@H]1CCN(CC(=O)NNC(=O)C(C)(C)C)C1	854111955	LXKKUANDGJJVKE-CYBMUJFWSA-N	313.442	1.317	50	20	DDGD	
COc1cccc([C@@H](OC)C(=O)NNc2cc(C)ncn2)c1	857127329	PKPNKGRATLYLOU-CQSZACIVSA-N	302.334	1.624	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN[C@@H](C)[C@H]2CCCOC2)c1	754569014	XCIBBVDPQYPKDZ-ZFWWWQNUSA-N	319.405	1.161	50	20	DDGD	
CCOc1ccc(C(=O)NN=C2CN(C)C[C@@H]2C)cc1OC	752163579	GRSQRNISSBUWDE-NSHDSACASA-N	305.378	1.761	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	755623281	QFRMHDXNQBTPBO-SNVBAGLBSA-N	321.377	1.062	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC(C)(C)[C@H]1c1ccncc1	854041282	BHRHENGRQQLIHG-SMDDNHRTSA-N	304.394	1.410	50	20	DDGD	
O=C(CCOC1CCOCC1)NNc1ncc(F)cc1F	857532954	AWUCNDJYSFXAFN-UHFFFAOYSA-N	301.293	1.389	50	20	DDGD	
CCSC1(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)CC1	852394559	URYZEFHQYQDEMW-UWVGGRQHSA-N	301.412	1.028	50	20	DDGD	
COc1c(F)cc(F)cc1NC(=O)NNC(=O)c1ccccn1	757687002	LCEJSJMOFUYVDE-UHFFFAOYSA-N	322.271	1.835	50	20	DDGD	
CC(=O)c1cccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)c1	855098490	IIRLYDDMCZWNIR-VIFPVBQESA-N	305.403	1.797	50	20	DDGD	
C[C@H](CCNC(=O)NNC(=O)c1cn[nH]c1)c1ccccc1	858168067	MAHWUNGUDFCGJW-LLVKDONJSA-N	301.350	1.548	50	20	DDGD	
COCCN1CC[C@H](NC(=O)NNc2ccc(Cl)cn2)C1	852126562	DDXAPIDCSJYGGL-NSHDSACASA-N	313.789	1.082	50	20	DDGD	
CSCC1(CC(=O)NNC(=S)N[C@H](C)C2CC2)CC1	855094618	CNJGTEWQLQGOOC-SECBINFHSA-N	301.481	1.814	50	20	DDGD	
C[C@H](CNC(=O)NNc1cc(F)cc(Cl)c1)S(C)(=O)=O	853900927	LNJPXRHAPQRUFC-SSDOTTSWSA-N	323.777	1.538	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cnn(C2CCC2)c1	934305278	HYTGKCHLADTWAJ-SKDRFNHKSA-N	307.354	1.186	50	20	DDGD	
C[C@@H](NNC(=O)CNC(=O)c1cccc(F)c1)C(F)(F)F	862304601	QKKSAOJFYYODNA-SSDOTTSWSA-N	307.247	1.127	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cn[nH]c2)c(OC(C)C)c1	862470915	YFJWTKUZHBOXEI-UHFFFAOYSA-N	318.333	1.280	50	20	DDGD	
Cc1cc(C)c2c(c1)C(=NNC(=O)[C@H]1CCC(=O)N1)CCCO2	863147181	AHQWSUDDOLTEAY-CQSZACIVSA-N	315.373	1.575	50	20	DDGD	
CS[C@@H](C)CC(=O)OCC(=O)NNC(=O)c1cccc(C)c1	766921044	STIXSCGWIKPUCV-NSHDSACASA-N	324.402	1.441	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@H](C)c1cccc(O)c1	935196436	LQLSUPASHUDXFL-SECBINFHSA-N	313.448	1.354	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H]1CCO[C@]2(CCSC2)C1	769235953	LBBORGVVLIOGBM-BXUZGUMPSA-N	315.439	1.418	50	20	DDGD	
C[C@@H](C#N)C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	768279928	UVNNXPZKVZQEEP-QMMMGPOBSA-N	301.281	1.136	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccc(O)c(F)c1	768709853	JHJNZVBONGREAH-UHFFFAOYSA-N	318.304	1.544	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)C1CC1)c1cc(F)ccc1OC	932475045	RGZBCMVXIUATMJ-ZDUSSCGKSA-N	323.368	1.432	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C(=O)c2ccccc2OC)n1	760908666	QFUJGHZMIUYVBC-UHFFFAOYSA-N	316.317	1.128	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H]2C[C@]23CCc2ccccc23)n[nH]1	869013887	JLXQBZXBVGCUNF-QAPCUYQASA-N	324.384	1.312	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)OCC(F)(F)F)c1ccc(F)cc1	862216470	XKAOXVPQTIBERB-VIFPVBQESA-N	324.230	1.833	50	20	DDGD	
COc1ccc(NNC(=O)c2cncc(F)c2)c([N+](=O)[O-])c1	768338885	PAVOKXBXGUSXBB-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
CC(C)(C)OC(=O)NNS(=O)(=O)c1csc([N+](=O)[O-])c1	768864738	SROLKXWZRCQEQB-UHFFFAOYSA-N	323.352	1.374	50	20	DDGD	
CC(C)(C)NCCC(=O)NNc1ccc(C(F)(F)F)nn1	935075960	DGTMPQVUWUEVMB-UHFFFAOYSA-N	305.304	1.717	50	20	DDGD	
CC(C)Oc1ccc(S(=O)(=O)N2CC=C(C#N)CC2)cn1	867070231	PNTYOKUONHPORX-UHFFFAOYSA-N	307.375	1.713	50	20	DDGD	
CC[C@H]1CN(CC)CCN1S(=O)(=O)CC(C)(C)CCl	867358451	YGZXFQNUIMYEKN-LBPRGKRZSA-N	310.891	1.997	50	20	DDGD	
O=C1N[C@@H](C(=O)NNc2ccc(OC(F)(F)F)cc2)CCO1	860320164	OYVNDSBZGJWMJJ-SECBINFHSA-N	319.239	1.527	50	20	DDGD	
CCOc1ncccc1C(=O)NNCC(F)(F)C(F)(F)F	863091755	QKZSUNDWYJVANS-UHFFFAOYSA-N	313.226	1.912	50	20	DDGD	
CNc1ccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)cc1	861499500	QFXAYGZSBUSXNK-UHFFFAOYSA-N	306.366	1.250	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNc2nccnc2OC)cc1	764620460	ZBDHDXGXVXGBMF-UHFFFAOYSA-N	317.305	1.420	50	20	DDGD	
C[C@H](NNC(=O)Cc1ccn(-c2ccccc2)n1)C(F)(F)F	862311833	UPRNLAUQWCUYTL-JTQLQIEISA-N	312.295	1.986	50	20	DDGD	
Cc1ccc(F)cc1NC(=O)C(=O)NNC(=O)C1CCCC1	764070089	IVXMTWVIACSVGO-UHFFFAOYSA-N	307.325	1.410	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1Cl	862459326	QUIZJVRMEXXGEC-LBPRGKRZSA-N	323.780	1.503	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CSc1ccccc1O)n1cccn1	764049488	ZTFQIWNMPJCVIN-SNVBAGLBSA-N	320.374	1.089	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1cccc(-c2cc[nH]n2)c1	767919087	CJOGPNSFQGTISR-UHFFFAOYSA-N	322.328	1.938	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)C1SCCS1	761135750	NYQRULOEJRYMLK-UHFFFAOYSA-N	316.835	1.836	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)N[C@@H]1CCCc2ccc(F)cc21	1118864341	OHTJWYZTMRQZGG-CYBMUJFWSA-N	317.324	1.570	50	20	DDGD	
C[C@@H](NC(=O)CCl)c1cc(F)ccc1N1CCN(C)CC1	1116437857	QXXPWCBVSMTKTQ-LLVKDONJSA-N	313.804	1.994	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc2c(c1)OC(F)(F)O2	878091305	BGFVPMLSYPNXNM-UHFFFAOYSA-N	303.265	1.623	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)C2CCCC2)c1C#N	764069436	CMIMRDJZMDPFOM-UHFFFAOYSA-N	314.345	1.143	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=C2CCN3CCC[C@H]23)n1	765554283	MRSQMLUMOJUFCB-CYBMUJFWSA-N	319.434	1.526	50	20	DDGD	
CSc1nc(O)c(C(=O)NNc2ncncc2F)cc1C#N	1117730546	KLJSPGDPRKMOCL-UHFFFAOYSA-N	320.309	1.067	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)COc1cccnc1	777774837	ZQMMRMSPUOINIY-UHFFFAOYSA-N	301.302	1.390	50	20	DDGD	
CC(=O)N[C@H](CC(C)C)C(=O)NNc1nc2ccccc2[nH]1	870210101	OLJBADVWVFLFCU-CYBMUJFWSA-N	303.366	1.557	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1nc(C)c2ccccc2n1	875212477	YHUNBNHFYVWOHF-UHFFFAOYSA-N	303.322	1.351	50	20	DDGD	
COCCOCC(=O)NN=Cc1c[nH]nc1-c1ccccc1F	872401115	HFSCARLSAAQKCO-UHFFFAOYSA-N	320.324	1.329	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C#N)cc1)[C@H]1CCCOC1	779759805	NUUWNMHVWOUVNS-AWEZNQCLSA-N	301.346	1.856	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	770732668	FNYRANAAGOJCJL-SMDDNHRTSA-N	314.345	1.058	50	20	DDGD	
CC[C@]1(CO)CCCN([C@H](C)C(=O)NNC(=O)CC(C)C)C1	778331136	MAHJDSMLNSTXPN-CJNGLKHVSA-N	313.442	1.053	50	20	DDGD	
COc1ncc(C(=O)NNc2ccc(C(F)(F)F)cn2)cn1	775248351	ZXAWSAFBQGEZMW-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874951962	VDWMPKHDCIUGIG-ZDUSSCGKSA-N	324.450	1.885	50	20	DDGD	
COc1ccnc(NNC(=O)C(=O)Nc2cc(C)cc(F)c2)n1	773730186	GCSDNVFXMDVJRV-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1csc(Br)c1	875103284	IDMCJEPIUGREEE-UHFFFAOYSA-N	322.184	1.923	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)c2cc(Cl)ccc2O)CCO1	776455927	RNWZSXCCWPILRL-BDAKNGLRSA-N	312.753	1.622	50	20	DDGD	
O=C(C[C@H]1C=CS(=O)(=O)C1)NNc1cc(F)ccc1F	885145855	ICTXZECLTMXTMY-MRVPVSSYSA-N	302.302	1.356	50	20	DDGD	
COc1cccnc1NC(=O)NNC(=O)c1ccccc1O	771801303	RAVCOSNICSPOEH-UHFFFAOYSA-N	302.290	1.262	50	20	DDGD	
COCC1(C(=O)NNC(=O)CCc2ccc(OC)cc2)CC1	779184084	KXMSJGRCXYRTKN-UHFFFAOYSA-N	306.362	1.202	50	20	DDGD	
C=C/C=C/CCNC(=O)NNC(=O)COc1cccc(C)c1	883416031	KCUDMCLINAUPFA-SNAWJCMRSA-N	303.362	1.837	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2ccc(C#N)cn2)CN1C1CC1	888527059	UZHHPCXZLXIKHB-PWSUYJOCSA-N	300.366	1.205	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NC[C@H]2C=CCC2)cc1	883782407	DKIDQZRNEJUXPW-NSHDSACASA-N	304.350	1.997	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H]1COc2ccccc2[C@H]1O	882201507	UDQQOKSKZMBVAZ-ZYHUDNBSSA-N	305.783	1.029	50	20	DDGD	
Cc1cc(C)cc(C2(C(=O)NNC(=O)c3cccnn3)CC2)c1	882061032	VSJACBXQFNMLTO-UHFFFAOYSA-N	310.357	1.586	50	20	DDGD	
COc1ccc(NCC(=O)NN=Cc2c(Cl)cnn2C)cc1	780188594	NBNIVWZJLPMEQB-UHFFFAOYSA-N	321.768	1.644	50	20	DDGD	
COc1cc(NNC(=O)NCCc2cnn(C)c2)ccc1Cl	788876761	XPLZZPLDAGRBMR-UHFFFAOYSA-N	323.784	1.951	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)n1	780772248	HPIZISXQUVGFSZ-UHFFFAOYSA-N	318.289	1.764	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)cc1	1123878987	GJLFMJUVOBNONT-BFHYXJOUSA-N	319.361	1.348	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C1CCC(OC)CC1	781024797	BKISJJDVOHXLNF-UHFFFAOYSA-N	320.389	1.590	50	20	DDGD	
Cc1ccc2c(c1)[C@@H](NC(=O)NNC(=O)C1CCOCC1)CO2	883517680	CROZTFDXXPRHLB-ZDUSSCGKSA-N	319.361	1.186	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@@H]1CC(=O)N(C2CCCC2)C1	781823768	MTIRCSFGKPAWSZ-SECBINFHSA-N	323.784	1.364	50	20	DDGD	
NC(=O)c1ccccc1C=NNC(=O)Cn1cnc2ccccc21	788700946	UMERRRUNFABAFT-UHFFFAOYSA-N	321.340	1.286	50	20	DDGD	
CC(C)[C@@H]1C[C@H](CC(=O)NNC(=O)c2ccccc2O)CCO1	781679349	ZVQUVXNPWZGISS-DOMZBBRYSA-N	320.389	1.995	50	20	DDGD	
Nc1ncc(C=NNC(=O)Cc2ccc3ccccc3c2)cn1	781589673	MMXNOTZYTGHZHY-UHFFFAOYSA-N	305.341	1.905	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1cc(C)c(Cl)s1	788744979	AOLAUJDXQFQDGM-UHFFFAOYSA-N	311.816	1.612	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc(Cl)ncc1Cl	780469919	KFOVEGQTYXFRKS-UHFFFAOYSA-N	303.149	1.742	50	20	DDGD	
Cc1nn2c(C=NNC(=O)C(C)(C)O)c(C(C)C)nc2s1	785460031	HDRPRRCCNDVFAJ-UHFFFAOYSA-N	309.395	1.444	50	20	DDGD	
CCCC(O)(CCC)CNS(=O)(=O)CBr	782459079	RTCVJNCHTBDUHC-UHFFFAOYSA-N	302.234	1.590	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)Cc2ccc3ccccc3c2)CO1	784144543	JPIJKJOVAZKGNI-WBMJQRKESA-N	312.369	1.955	50	20	DDGD	
O=C(NNc1ccc(-c2ccccc2)nn1)[C@H]1[C@@H]2CCC(=O)[C@@H]12	896283717	SFTDGURRQUTDLS-RLCCDNCMSA-N	308.341	1.812	50	20	DDGD	
CCc1occc1C(=O)NNC(=O)CNC(=O)c1cccs1	797442658	DQNKKOXEYSSEEZ-UHFFFAOYSA-N	321.358	1.095	50	20	DDGD	
COc1ccccc1CNC(=O)NNC(=O)c1cccc(C)n1	792764362	XQCGZNDEUGHBEM-UHFFFAOYSA-N	314.345	1.543	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=C1CCC12CCOCC2	799869723	IDVDRBMGHJIFFC-UHFFFAOYSA-N	313.357	2.000	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2c(=O)o1)c1ccncc1	797701651	YCIZZOPDUOMQOQ-UHFFFAOYSA-N	309.281	1.263	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc3ccccc3c(=O)n2C)n1	794961969	HZNXXANFUYRNDK-UHFFFAOYSA-N	323.356	1.702	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42	793422759	CRIRWQZFCUYFAC-VJSHGTGQSA-N	323.396	1.166	50	20	DDGD	
CC(C)(C)c1cc(CS(=O)(=O)NNC(=O)C2CCC2)no1	795318903	WVNFSCIRDGGGJV-UHFFFAOYSA-N	315.395	1.223	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(C#N)c1)N(C)CC(F)(F)F	793705990	VLHFBEYRQWHMGH-SECBINFHSA-N	300.284	1.884	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1ccc(C(N)=O)c(F)c1	792296485	HKSUXXPUCWCJBT-UHFFFAOYSA-N	303.297	1.777	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])[C@@H]1Cc2ccc(F)cc21	795176137	SWJCYDNBSUHYBM-LLVKDONJSA-N	302.265	1.912	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CC2(Cl)Cl)cc1	1318441089	FAYQAGNQVJOUNT-VIFPVBQESA-N	303.145	1.650	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cccc3cnccc23)ncn1	1320704265	ZAJHKCYOEAZTLA-UHFFFAOYSA-N	322.328	1.415	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)c1ccccc1Cl)C1CC1	1320039800	JURRBZXQTADDEW-LBPRGKRZSA-N	311.769	1.709	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=C1CCOc2cc(F)ccc21	1322407472	ILTHBTQTUPQQAR-UHFFFAOYSA-O	300.313	1.416	50	20	DDGD	
Cc1nc([C@@H](C)NC(=O)NNc2cccc([N+](=O)[O-])c2)no1	1326947086	CHBXVLPAVINXBO-SSDOTTSWSA-N	306.282	1.674	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)[C@@H]2CCCN2C2CC2)nn1	1320970281	KDAAVPRZMSGTLO-LBPRGKRZSA-N	303.410	1.844	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@]1(F)CCOC1	1326636015	LSWHWSLJOHFABW-CYBMUJFWSA-N	300.717	1.159	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2nncc(N)c2Cl)cc1Cl	1255311127	VYFPBUVPKODOLF-UHFFFAOYSA-N	323.143	1.994	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)c2ccc(Cl)nc2)c(C)n1	1338780595	JBHPMCYQWHRRHW-UHFFFAOYSA-N	321.768	1.725	50	20	DDGD	
CO[C@@H]1CCC[C@H]1CNC(=O)NNc1nncc(N)c1Cl	1337215478	ZUDOUYQWVLZDPV-IONNQARKSA-N	314.777	1.153	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccc(-c2cccs2)s1	1254521431	FXCVRBAHYHRKBE-UHFFFAOYSA-N	309.416	1.799	50	20	DDGD	
CCCC[C@@H](CN)NC(=O)NNC(=O)c1ccccc1Cl	1261377428	RVAREFIERKFFNT-JTQLQIEISA-N	312.801	1.802	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc2c(c1)OC(F)(F)O2	1261252928	GGNANCGTYSFTJQ-UHFFFAOYSA-N	317.317	1.525	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@]2(C)CC(C)=NO2)c1C	1358399957	VKSBMMBRFDDMJS-OAHLLOKOSA-N	305.334	1.780	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cnn2ccncc12	1351651846	PWJLZLKHCOSOPY-UHFFFAOYSA-N	309.198	1.161	50	20	DDGD	
CS(=O)(=O)c1cc(C(=O)NNc2cccc(C(=O)O)c2)co1	1607378807	OGFWXPGKZKYXMT-UHFFFAOYSA-N	324.314	1.138	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2cccc(OCC(=O)O)c2)c1	1601121624	QKLYXJSACSFJNX-UHFFFAOYSA-N	311.297	1.779	50	20	DDGD	
O=C(Cn1cc(C2CC2)nn1)NNc1ccc(C(=O)O)cc1F	1601383439	HOPDFOWUWYDXHO-UHFFFAOYSA-N	319.296	1.136	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@H]2CCCc3n[nH]cc32)c1F	1602448041	LAMTZEXNMDCTPY-MRVPVSSYSA-N	318.308	1.810	50	20	DDGD	
O=C(CCCn1ccc(C(=O)O)n1)NNc1cc(F)ccc1F	1608306704	PWYOWHYASQJJJZ-UHFFFAOYSA-N	324.287	1.783	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccsc2C(=O)O)n1	1600178778	JVJYBJKDJSAZTK-UHFFFAOYSA-N	306.347	1.410	50	20	DDGD	
CC[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cl)CC	1800068049	ZECCTCCONADYHJ-NZEXEKPDSA-N	316.829	1.413	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)[C@@]12CNC[C@@H]1CCOC2	1579703103	BHWLTFWGRBZEMF-XHDPSFHLSA-N	309.797	1.718	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1C[C@H](O)C[C@@H](C(=O)O)C1	1589700130	UCKFXWZYJZQALB-IWSPIJDZSA-N	322.199	1.090	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCS1)c1ccccc1OCC(=O)O	1589010621	DQZGUZYNHLVPMH-CYBMUJFWSA-N	322.386	1.886	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)COC)C2	1841667848	WODZKTHQHOWAKF-NSHDSACASA-N	302.802	1.244	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)C2CCOCC2)C1	1842760317	KTUSPBHAODGYBL-LLVKDONJSA-N	318.776	1.151	50	20	DDGD	
CC(C)C[C@@H](CNC(=O)NNc1cccc(C#N)c1)C(=O)O	1588853270	VSKZLZQFIUUJKZ-LBPRGKRZSA-N	304.350	1.931	50	20	DDGD	
C[C@H](CNC(=O)NNc1cccc(C(=O)O)c1)N(C)C1CC1	1592676138	NCOUXGCXFDEUJY-SNVBAGLBSA-N	306.366	1.494	50	20	DDGD	
CCOc1ccc(NNC(=O)Nc2cc(C(=O)O)nn2C)cc1	1597126106	ULFMQZKJUSXGOM-UHFFFAOYSA-N	319.321	1.666	50	20	DDGD	
COc1nc(C)ccc1C(=O)NNc1ccccc1C(=O)O	1599730458	STROPWDAUIDFLB-UHFFFAOYSA-N	301.302	1.854	50	20	DDGD	
O=C(O)Cc1ccccc1NC(=O)NNC(=O)[C@H]1CCCCO1	1595136528	LGSSPRPMKQPYMH-GFCCVEGCSA-N	321.333	1.036	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc(OCC(=O)O)c1	1594867219	YOUGUOWNYJQNFC-SECBINFHSA-N	309.322	1.349	50	20	DDGD	
C[C@H]1C(=NNC(=O)c2cccnn2)CC[C@@H](C(=O)O)C1(C)C	1776103343	DRYPTHGAEJKQNH-UWVGGRQHSA-N	304.350	1.719	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1c(F)ccc(C(=O)O)c1F	1776129482	KVLNXIICSKAULO-VQHVLOKHSA-N	324.283	1.723	50	20	DDGD	
COC(=O)C1CC(=NNC(=O)Nc2ccc(C(=O)O)cc2)C1	1776046147	CNKFGANURGCLNE-UHFFFAOYSA-N	305.290	1.445	50	20	DDGD	
Cc1cc(C=NNC(=O)c2cccc(Cl)n2)[nH]c1C(=O)O	1776092486	OKFIRWUBXHVQEO-UHFFFAOYSA-N	306.709	1.834	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CCn1cnc2sccc2c1=O	11678413	LMCIHPWELGCSGP-UHFFFAOYSA-N	322.390	1.042	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1cccc(N2CCCCCC2)c1	161208975	AJRKHICAWOWCRF-UHFFFAOYSA-N	318.377	1.173	50	20	DDGD	
Cc1nc(CC(C)C)c(C(=O)NNc2nccn(C)c2=O)s1	151173416	XYISIGFVTMBIQP-UHFFFAOYSA-N	321.406	1.501	50	20	DDGD	
Cc1cc(C)n2ncc(C(=O)NNc3cccc(C#N)c3)c2n1	152719048	TWBWDTATELVNFP-UHFFFAOYSA-N	306.329	1.975	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cn(-c3ccccc3)nn2)cc1	155135307	FCRAJPNZZWGOBK-UHFFFAOYSA-N	304.313	1.896	50	20	DDGD	
O=C(NNc1ncccn1)Nc1ccc(N2CCCC2=O)cc1	153953256	DBCXHEWZUIVDHI-UHFFFAOYSA-N	312.333	1.752	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccc(OCC(F)F)nc1	157430804	WDJNVLIRJUMTTH-UHFFFAOYSA-N	313.239	1.412	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccc(C(=O)N(C)C)c1	103074777	VFCVVHZZHBRZCY-UHFFFAOYSA-N	306.366	1.133	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)c2ccc(C)o2)C1	176209665	ZVJTZAUKKAMGAN-WDEREUQCSA-N	308.334	1.328	50	20	DDGD	
COC(=O)c1ccc(CCC(=O)NNC(=O)C(C)(C)C)cc1	109255932	CUFZVEMRLBQHMB-UHFFFAOYSA-N	306.362	1.599	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NNC(=S)N[C@@H](C)C1CC1	175540859	AMERRFKBXKHWIW-VIFPVBQESA-N	322.390	1.811	50	20	DDGD	
CCc1c(C(=O)NNC(=O)[C@@H]2CCCO2)[nH]c(C)c1C(C)=O	53050208	PTLTWQLWLMCMST-NSHDSACASA-N	307.350	1.028	50	20	DDGD	
CC(=O)NNC(=O)CSc1nccn1-c1cccc(C)c1C	29989906	NWMVAYGKSXPLBN-UHFFFAOYSA-N	318.402	1.749	50	20	DDGD	
CNC(=O)[C@@H]1CCCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C1	177159609	FHHZWRDZNDUUOZ-MGMWDDNKSA-N	314.345	1.917	50	20	DDGD	
O=C(Cn1ccc2ccc(Cl)cc21)NNC(=O)[C@@H]1CCCO1	53508728	XERHGYAEOGNNQP-ZDUSSCGKSA-N	321.764	1.621	50	20	DDGD	
O=C(NNC(=O)c1ccc(OCC(F)(F)F)cc1)NC1CC1	64429387	XCFVJTUFMSSKOI-UHFFFAOYSA-N	317.267	1.734	50	20	DDGD	
CO[C@@H](C)CC(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	170899140	KUZQZBHKZGGZRQ-QMMMGPOBSA-N	322.333	1.551	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)[C@@H]1CCCO1	116174079	YCCHBWHQDGBFBR-LNLATYFQSA-N	310.300	1.395	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1ccc[nH]1	116165750	XNQJQXNRHZANAB-DTWKUNHWSA-N	305.284	1.858	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccc2ccccc2c1	112872580	VMPGUUBGKQKPRS-UHFFFAOYSA-N	302.330	1.264	50	20	DDGD	
CCN(CC(=O)NNC(=O)Cc1nc(C)cs1)CC(C)C	172170647	KCQIVIXPGNTDQO-UHFFFAOYSA-N	312.439	1.119	50	20	DDGD	
CCC(CC)(CC)NCC(=O)NNC(=O)c1cccc(C#N)c1	119516300	JXGOBKHLKFLBOO-UHFFFAOYSA-N	316.405	1.878	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1ccc(S(=O)(=O)CC)cc1	182237608	PQWZYJVKTINLJD-ACCUITESSA-N	322.386	1.540	50	20	DDGD	
O=C(NNc1cccc(F)c1)C(=O)Nc1ccnn1CC1CC1	120917968	IYXDCTYPZJINEW-UHFFFAOYSA-N	317.324	1.514	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc2nc(C)oc2c1	124859674	MUHDZYZJWKTIBN-QMMMGPOBSA-N	318.333	1.268	50	20	DDGD	
O=C(NCc1cccnc1)NNC(=O)c1ccc2ccccc2n1	120150230	TZKKWKMQTNQXPR-UHFFFAOYSA-N	321.340	1.774	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)Cn2ccc3ccccc32)cn1	74581672	AOAONRBMFGQTPC-UHFFFAOYSA-N	311.345	1.319	50	20	DDGD	
O=C(NNc1ccccn1)[C@H]1CC(=O)N(Cc2ccccc2)C1	181239535	YKMBXNAMAUVKCI-AWEZNQCLSA-N	310.357	1.573	50	20	DDGD	
Cc1ccc(C[C@H](C)C(=O)NNC(=O)Cc2ccncc2)cc1	181293738	GUANUEGQVRHXKJ-AWEZNQCLSA-N	311.385	1.959	50	20	DDGD	
O=C(CNC(=O)c1cccc(F)c1)NNc1ccc(F)cc1F	121107290	DROWGMUUVZDNGU-UHFFFAOYSA-N	323.274	1.977	50	20	DDGD	
CC[C@@H](C)NC(=O)CCNC(=O)NNc1ccc(Cl)nn1	127063494	SFXDQXURCUCWTG-MRVPVSSYSA-N	314.777	1.061	50	20	DDGD	
CO[C@@H]1CN(C(=O)NNC(=O)c2ccc(C)s2)CC[C@@H]1C	187438110	GUDTZDLCNOKTLD-GXSJLCMTSA-N	311.407	1.768	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)C(C)(C)C	77708892	MULQOXTYSCIDCK-UHFFFAOYSA-N	315.351	1.259	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)N[C@@H]1CCC[C@H]1CCO	188419880	PPNAUGNNPKAATQ-GXTWGEPZSA-N	323.368	1.250	50	20	DDGD	
C[C@@H](CCCc1ccccc1)C(=O)NNC(=O)c1cnn(C)c1	180885814	LYOPXIYCCYLQPH-ZDUSSCGKSA-N	314.389	1.840	50	20	DDGD	
O=C(CCC(F)(F)F)NNC(=O)c1ccc2c(c1)OCCO2	79382028	OGJYLDFESAVMRQ-UHFFFAOYSA-N	318.251	1.561	50	20	DDGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccnn2C)cc1OC	74343647	NLECGYNUXXVEAG-FLIBITNWSA-N	312.329	1.983	50	20	DDGD	
C[C@]1(C(=O)NNc2ccnc(F)c2)Cc2ccccc2C(=O)O1	182416761	FVNWDAZNRYBYRB-MRXNPFEDSA-N	315.304	1.836	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccc(F)c(F)c2)c(O)c1	88253901	WLNIYHZVCDQIHW-UHFFFAOYSA-N	320.295	1.983	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](C)Cn1cccn1	46466701	GSMGWYAPQVYUEU-GFCCVEGCSA-N	301.350	1.224	50	20	DDGD	
COc1cccc(C(=O)NNc2nc(C)cc(C)n2)c1[N+](=O)[O-]	195375704	GLMTUCQZPYYNJV-UHFFFAOYSA-N	317.305	1.767	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Cc1ccc(Cl)s1	193729522	AYVBPKHSTXMKEI-UHFFFAOYSA-N	309.778	1.729	50	20	DDGD	
Cc1nc(Cl)ccc1NC(=O)NNC(=O)c1cnn(C)c1	194603489	HTQRIUGQMCVMMY-UHFFFAOYSA-N	308.729	1.243	50	20	DDGD	
O=C(NCCc1c[nH]c2ccccc12)NNC(=O)c1ccc[nH]1	193020480	MXBPGBIMUFMPKY-UHFFFAOYSA-N	311.345	1.683	50	20	DDGD	
CCOC[C@H](NC(=O)NNC(=O)c1ccc(C#N)cc1)C(C)C	191828106	UEGSYJYAYPWCQT-AWEZNQCLSA-N	318.377	1.563	50	20	DDGD	
Cc1ccc(OCC(=O)NNc2nc3ccccn3n2)cc1C	191913236	DXIPCBBOHIXEJS-UHFFFAOYSA-N	311.345	1.868	50	20	DDGD	
O=C(CSC[C@@H]1CCCCO1)NNc1nc2ccccn2n1	191910179	BUIODFVGTHRVFP-NSHDSACASA-N	321.406	1.475	50	20	DDGD	
NC(=O)COc1cccc(C(=O)NNc2cccnc2Cl)c1	85684025	QRATXRNHOMIHML-UHFFFAOYSA-N	320.736	1.356	50	20	DDGD	
ICCN1CCS[C@@H]2COCC[C@@H]21	190945640	VKNRSAMMDNUGRN-DTWKUNHWSA-N	313.204	1.628	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C[C@@H]2C=CCC2)cc1	263653578	DPLXAHLTMWUHCD-GFCCVEGCSA-N	301.346	1.437	50	20	DDGD	
Cc1c(NNC(=O)[C@@H](C)OC[C@H]2CCCO2)cccc1[N+](=O)[O-]	269606254	MHJFARSZGNUCIY-VXGBXAGGSA-N	323.349	1.930	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H]2CCN3CCCC[C@H]23)n1	266926471	DMBCYRMSZWZUTH-NWDGAFQWSA-N	320.397	1.047	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc2c(c1)NC(=O)CO2	264042781	QJYYWWPOSXNHNK-UHFFFAOYSA-N	305.334	1.215	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)NC2CCCCC2)c(O)n1	266800865	RWJFRPOOWDQWRX-UHFFFAOYSA-N	306.366	1.681	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)C2CC2)c(OCCN(C)C)c1	273208896	MZUQVMMVYHDQFM-UHFFFAOYSA-N	320.393	1.498	50	20	DDGD	
CSC[C@H]1CCCN1C(=O)NNC(=O)c1cccc(C)n1	279676261	OBSGONOTSGKWAP-LLVKDONJSA-N	308.407	1.572	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@@H]1CCCN1C1CC1	279232098	GKSLXPYFFHNNEK-LBPRGKRZSA-N	308.313	1.804	50	20	DDGD	
COc1ccc(NNC(=O)NCC2(N(C)C)CCCC2)nc1	275939546	JDEQXWIAWQWWTB-UHFFFAOYSA-N	307.398	1.591	50	20	DDGD	
CSSCCNC(=O)N1C[C@H](N2CCOCC2)C[C@H]1C	376493328	YRGSVVQHZKYWGT-VXGBXAGGSA-N	319.496	1.502	50	20	DDGD	
CSc1ccc(S(=O)(=O)NNC(=O)N(C)C)cc1Cl	274283548	IMRJENRPOXAISF-UHFFFAOYSA-N	323.827	1.526	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@@H](C)c2ncon2)cc(C#N)n1C	272146522	FNNRYGYVZYXKJI-XXMVTMBHSA-N	310.317	1.373	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(C(=O)N(C)C)c(C)c1	276089619	VXLIPZNLVFKRJU-UHFFFAOYSA-N	321.381	1.395	50	20	DDGD	
C[C@@](O)(CC(=O)NNc1nnc(-c2ccccn2)s1)C1CC1	276424745	JMIRYIABJZEPRK-CQSZACIVSA-N	319.390	1.594	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1ccc(Cl)nc1	285041400	DTFYXQYXGJPLPF-UHFFFAOYSA-N	305.812	1.801	50	20	DDGD	
COC(=O)[C@H]1CC[C@H]1C(=O)NNc1nc(-c2ccccc2)no1	285787232	FEPDBDYGLWXSEW-MNOVXSKESA-N	316.317	1.379	50	20	DDGD	
CC(C)c1ccc(C(=O)NN=c2nc(-c3ccncc3)[nH]o2)nc1	377778014	NXABYDJATJOSII-UHFFFAOYSA-N	324.344	1.829	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)COc2ccccc2OC)C1	286631248	JPQFVMSLRRHPIG-UHFFFAOYSA-N	322.361	1.037	50	20	DDGD	
CCCCCS(=O)(=O)CC(=O)NNc1cccc(F)n1	286136747	BTPNOXXSEXVNQH-UHFFFAOYSA-N	303.359	1.269	50	20	DDGD	
C[C@@H](CF)NC(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	288428074	SOEKCJABQYSTIP-IUCAKERBSA-N	317.748	1.796	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2cccc3c2CCCC3)CCC1	281233894	OZLWHNIPQBXHJD-UHFFFAOYSA-N	322.430	1.976	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)CCCC2CCOCC2)n1	281615146	XJOWVWRSMPJXAU-UHFFFAOYSA-N	322.409	1.244	50	20	DDGD	
COc1cccc2c(C(=O)NNc3nccnc3Cl)n[nH]c12	809680393	SIMDYNQRMFLHBA-UHFFFAOYSA-N	318.724	1.772	50	20	DDGD	
CCC[C@H](C)CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	299508784	MDBBMYWHZTYMHO-FZMZJTMJSA-N	306.362	1.800	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)NC[C@H]1C[C@H]1C	298726024	JZCNSVGBJFSKEG-RKDXNWHRSA-N	311.769	1.949	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1ccc2cccnn12	804954620	PEDWKXWAGMTLNA-UHFFFAOYSA-N	320.316	1.067	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)c1ccc2ccccc2n1)OC	290966913	OBMSFCGCIOAKSH-LBPRGKRZSA-N	316.361	1.604	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)[C@@H]1CCCN(C(=O)C2CC2)C1	293737966	QYVLODWYYGZUFI-LLVKDONJSA-N	322.796	1.827	50	20	DDGD	
Cn1cnc2c(C(=O)NNc3ccc([N+](=O)[O-])cc3)ccnc21	807083110	SOOJDXLMCRCQQC-UHFFFAOYSA-N	312.289	1.633	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCc1ccc2c[nH]nc2c1	807244017	ONTMBTYXQSBUIR-UHFFFAOYSA-N	303.366	1.482	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1C[C@@H](C(F)(F)F)OC(C)(C)C1	293813452	UMXMEALISGAEKO-PCYYEKQGSA-N	306.284	1.999	50	20	DDGD	
CCc1nc(C)c(CNC(=O)NNC(=O)c2ccc(C)o2)o1	293238430	BDPAJBLUDTXMEX-UHFFFAOYSA-N	306.322	1.591	50	20	DDGD	
N#Cc1ccc(C[C@@H](C#N)C(=O)NNc2cccc(F)n2)cc1	804768632	MXQACFXNIYEQNR-ZDUSSCGKSA-N	309.304	1.918	50	20	DDGD	
C#CCO[C@@H](C)C(=O)NNC(=O)NCc1ccc(Cl)cc1	295168997	GHWUCPWAMHNPJU-JTQLQIEISA-N	309.753	1.209	50	20	DDGD	
Cc1cc(C)n2nc(C)c(C(=O)NNC(=O)NC(C)C)c2n1	299299765	MKSSUEULZRHXDV-UHFFFAOYSA-N	304.354	1.007	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c(C)s1	295237572	UNRANEDPJRTCTN-XVKPBYJWSA-N	318.420	1.242	50	20	DDGD	
C[C@H](NC(=O)CC(C)(C)C)C(=O)NNc1ncc(F)cc1F	297057648	VWWFIGZNHZLPRP-QMMMGPOBSA-N	314.336	1.744	50	20	DDGD	
N#Cc1ccncc1C(=O)NNC(=O)NCCc1cccs1	805172539	ZKEHFGYLMMWVRW-UHFFFAOYSA-N	315.358	1.201	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)Cc2cccnc2)[C@@H]2CCC[C@H]21	296288054	IOTISBPENJLGBV-ZIAGYGMSSA-N	316.405	1.875	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1cc(C)nc(N2CCCC2)n1	291823145	FEGXSCMMGUVHPK-JLHYYAGUSA-N	315.377	1.445	50	20	DDGD	
CC[C@H](Cc1ccccc1C)C(=O)NNC(=O)NCCCOC	819163063	FRIMYIJNAWVQET-CQSZACIVSA-N	321.421	1.931	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNc1cc(Cl)nc(Cl)c1	819741456	MUNJMLNKTNRPEW-UHFFFAOYSA-N	319.192	1.994	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)c1cccc(O)n1	819427470	NOLCWYPYGVHSEG-UHFFFAOYSA-N	322.415	1.200	50	20	DDGD	
CCc1c(C(=O)NNc2ccccc2S(C)(=O)=O)ccn1C	810385391	QQTNIZWNIOWBHB-UHFFFAOYSA-N	321.402	1.748	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N(C)Cc1cccc(C#N)c1	827315653	SZDJUDFRSNEVCR-BXUZGUMPSA-N	316.361	1.156	50	20	DDGD	
Cc1c(NNC(=O)NCc2nccn2C)cccc1[N+](=O)[O-]	728752572	HSSXFYMMPSNAHT-UHFFFAOYSA-N	304.310	1.463	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C	823893355	GTGLUVYPZGHYAA-NEPJUHHUSA-N	315.414	1.025	50	20	DDGD	
CC(C)[C@]1(CO)CCCN(C(=O)/C(C#N)=C\c2cnn(C)c2)C1	491138446	ZAMLZMWAUUYUQY-IJZIWBRISA-N	316.405	1.584	50	20	DDGD	
C[C@H](NNC(=O)CC1CCN(CC(F)F)CC1)C(F)(F)F	824832796	UEUXMCSCCYVNAC-QMMMGPOBSA-N	317.302	1.925	50	20	DDGD	
Cn1ncc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1C1CC1	826366088	RORFWGGXNOGRGC-UHFFFAOYSA-N	324.348	1.235	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(CN2CCCC2=O)cc1	490710681	VINDXFIHUSSYQS-UHFFFAOYSA-N	306.322	1.202	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)OC(C)(C)C)cc(C(N)=O)c1	496417459	QXDGEPVMNDAMHT-UHFFFAOYSA-N	308.338	1.655	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cnn(C2CCCC2)c1C	496829533	AFPLLXBWUCPUCW-UHFFFAOYSA-N	323.353	1.022	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1	826187219	GIHAQYAYSXLITN-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C/c1ccc(S(C)(=O)=O)s1	491088319	ZJBYIYBZQBETKB-CSKARUKUSA-N	312.416	1.975	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)/C=C\c1cccnc1	492917556	CROJOFMMZPEUSA-HJWRWDBZSA-N	311.341	1.494	50	20	DDGD	
Cc1ccc(Br)c(C(=O)NN(C)C[C@@H](C)O)n1	822556839	IILBBDHRJDOTRK-MRVPVSSYSA-N	302.172	1.110	50	20	DDGD	
CC(C)[C@H]1CN(C(=O)/C(C#N)=C\c2cnn(C)c2)CCCO1	491106950	UIFDSUGNDSOVIA-XIEDVDOYSA-N	302.378	1.601	50	20	DDGD	
COC(=O)[C@@H]1CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)[C@@H]1C	491043625	ABWFTKLSAKLNNS-PEZBLYKWSA-N	314.341	1.709	50	20	DDGD	
O=C(C[C@@H](n1cccn1)C(F)(F)F)NNC(=O)C1CCC1	827216399	URKXHEZLHWIVAH-SECBINFHSA-N	304.272	1.324	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C[C@@H]2CC[C@H]3C[C@H]23)c(OC)c1	823148472	OGDYQSQQNVFUIR-MJVIPROJSA-N	318.373	1.901	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1	823993153	LUKAUKPZECBTMI-LBPRGKRZSA-N	321.421	1.058	50	20	DDGD	
COCCCOCCC(=O)NN=c1sc2ccccc2n1C	820685028	FNLOMWNJHHKODJ-UHFFFAOYSA-N	323.418	1.615	50	20	DDGD	
Cn1ncc(C2CC2)c1C(=O)NNC(=O)NCc1ccco1	823794151	YBBFYKYFFABUOM-UHFFFAOYSA-N	303.322	1.035	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CC[C@H](c3cccc(F)c3)C2)cc1	585039097	NKDCIRSAXQYIGH-YJBOKZPZSA-N	313.181	1.931	50	20	DDGD	
O=C(Cc1csc(-c2nc[nH]n2)n1)NNc1ccccc1	732266273	VCYDVAHNKZSLQG-UHFFFAOYSA-N	300.347	1.614	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1Cl	823475184	OOCNIMVEGJLGPP-CMPLNLGQSA-N	310.781	1.763	50	20	DDGD	
OB(O)c1cccc(CN[C@H]2CCOc3ccc(F)cc32)c1	585036859	OQHMHSJBIOYCFU-HNNXBMFYSA-N	301.126	1.119	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC2(CCCCC2)C1	827289573	UHJLSOLGFBAENV-OLZOCXBDSA-N	309.410	1.808	50	20	DDGD	
CCc1cccc2c1OCC[C@@H]2NCc1ccc(B(O)O)cc1	585021956	GMJNFWHQUSNAEY-KRWDZBQOSA-N	311.190	1.542	50	20	DDGD	
CCC(C)(C)N(C)CC(=O)NNC(=O)Cc1nc(C)cs1	733995605	DQNFSEVUVLXHQW-UHFFFAOYSA-N	312.439	1.262	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H](C(=O)NN=c1cc[nH]cc1)C1CCC1	496094983	SILVCWPNIILKAZ-CYBMUJFWSA-N	320.393	1.640	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)Cc1c[nH]c2ccccc12	739681453	ZLPMEERUDZHPNG-UHFFFAOYSA-N	312.329	1.722	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc(C)c(C(=O)O)c1	901154547	RXKGGSUOQFTYEB-UHFFFAOYSA-N	305.378	1.875	50	20	DDGD	
C[C@@H](NCc1ccc(B(O)O)cc1)c1cccc(OC(F)F)c1	585016025	QRVSUJUAQYLAAW-LLVKDONJSA-N	321.132	1.819	50	20	DDGD	
O=C(O)NCCCC(=O)NNc1ccc(Br)cc1	739956794	LRXWCVMMIVRKRM-UHFFFAOYSA-N	316.155	1.940	50	20	DDGD	
CC[C@H](NC(=O)NNc1ncc(F)cc1F)[C@H]1CCCO1	838535039	LLDFROWQTCPRMN-WDEREUQCSA-N	300.309	1.944	50	20	DDGD	
C[C@H]1CC(=NNC(=O)Cc2cn3ccccc3n2)C[C@@H](C)O1	834961968	FQKJOGYBCBULMA-TXEJJXNPSA-N	300.362	1.936	50	20	DDGD	
CCn1c([C@H](C)NCc2ccc(B(O)O)o2)nc2ccccc21	585032822	NLJRDGDXDROYOE-NSHDSACASA-N	313.166	1.180	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1CC(c2ccccc2C)=NO1	905099882	GOZJSPHJNIDSNM-CYBMUJFWSA-N	318.402	1.169	50	20	DDGD	
CC(C)(C)c1nc(CNCc2cccc(B(O)O)c2)cs1	585021629	YAFCNBPRMBZCNA-UHFFFAOYSA-N	304.224	1.410	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)Oc1ccc(F)cc1)c1cn(C)nn1	834928453	MZPORYLZRRGRBG-SNVBAGLBSA-N	305.313	1.262	50	20	DDGD	
C[C@@H]1CCC[C@@H]2CCCN(C(=O)c3cccc(B(O)O)c3)[C@@H]12	584934638	ULSQTEDKLDCGGP-IOASZLSFSA-N	301.195	1.407	50	20	DDGD	
CC(C)(C)n1cnc(NC(=O)NNc2ncc(F)cc2F)n1	836506659	IZUOOUKOWWLHIO-UHFFFAOYSA-N	311.296	1.855	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)NCc1nnnn1C1CC1	838499198	HVHTVWNIGHPSEC-UHFFFAOYSA-N	321.772	1.796	50	20	DDGD	
O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)c1cccc(B(O)O)c1	584949601	NMXXKKKWTOOGGM-MAUKXSAKSA-N	323.201	1.508	50	20	DDGD	
C[C@@H]1CC(C)(C)CN1CC(=O)NNC(=O)c1ccc(F)cc1	839659744	HIWPLSBLRWTIHX-LLVKDONJSA-N	307.369	1.707	50	20	DDGD	
C[C@@H](NCc1ccc(B(O)O)o1)c1cccc(C(F)(F)F)c1	585014881	HHEMBOXDJVACIC-SECBINFHSA-N	313.084	1.829	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H]1CCC[C@H](C(=O)O)C1	832977575	UUFWIWQDWVXGPE-NEPJUHHUSA-N	304.346	1.647	50	20	DDGD	
OB(O)c1ccc(-c2noc(C3(C(F)F)CCCC3)n2)cc1	585055237	TZHKBVNUXGLLAJ-UHFFFAOYSA-N	308.093	1.493	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@@H](C)CN2CCOCC2)cc1F	731486895	YMOGJFPVKYYVJK-ZDUSSCGKSA-N	307.369	1.553	50	20	DDGD	
CC/C=C/CNC(=O)NNC(=O)Cn1ccc2ccccc21	836285214	GMBHMFBPPZDQOH-ZZXKWVIFSA-N	300.362	1.938	50	20	DDGD	
CC(C)(C)[C@H](NC(N)=O)C(=O)NNc1ccc(F)c(F)c1F	839636343	PKDXWQZYSYQQDG-SNVBAGLBSA-N	318.299	1.630	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)CC(F)(F)F)C[C@@H]1Br	911424619	CUQMSSSORKJZHS-FFWSUHOLSA-N	303.078	1.260	50	20	DDGD	
CCOCC(=O)NN=Cc1cc(Br)ccc1OC	731152675	OTNDHNLBVFNXEI-UHFFFAOYSA-N	315.167	1.944	50	20	DDGD	
Cc1cc(C#N)cc(NC(=O)NNC(=O)[C@H]2CCCCO2)c1	836770810	GUAUACDNJSRNRC-CYBMUJFWSA-N	302.334	1.589	50	20	DDGD	
COc1ccc(-n2ccc(CNS(=O)(=O)CCl)n2)cc1	830172534	CRSZOSOVQMSRTP-UHFFFAOYSA-N	315.782	1.497	50	20	DDGD	
CC1(C)COC(=O)[C@@H]1NC(=O)/C(C#N)=C/c1ccc(O)cc1	837637253	PIUIJSHQNBNYLQ-HJTPGIPUSA-N	300.314	1.367	50	20	DDGD	
CCN1C(=O)C(=NNC(=O)N2CCOCC2)c2cc(C)ccc21	745591341	VRSZARQADSKIRD-UHFFFAOYSA-N	316.361	1.107	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCC(OC2CCCC2)CC1	834933211	MSHGFBUWWNSOHW-UHFFFAOYSA-N	321.421	1.983	50	20	DDGD	
C#CCCCCCC=NNC(=O)CNC(=O)c1cccnc1	834962739	VTSBNZMUHNBTJV-UHFFFAOYSA-N	300.362	1.497	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nn2nnc(C)c2C)cc1	914013250	MTURSVGQWHUNRH-NTEUORMPSA-N	311.345	1.971	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)CNc2ccccc2)o1	915937928	XPXKKUXDWRZCLT-UHFFFAOYSA-N	301.302	1.628	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSc1ncnc2ccsc12	742452351	NJZLTBIWWQCWKW-UHFFFAOYSA-N	324.431	1.977	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCCO2)NNC(=O)[C@H]1CCCCO1	843600395	CBJYIHZJCQKVDK-OAHLLOKOSA-N	318.373	1.271	50	20	DDGD	
Cc1nc(C)c(CNC(=O)NNC(=O)c2ccccc2)s1	743521320	OOZGAQMPULRUED-UHFFFAOYSA-N	304.375	1.904	50	20	DDGD	
CCS(=O)(=O)CCNC(=O)NNc1cc(F)ccc1F	916528991	GJSGLIZGUXQBGE-UHFFFAOYSA-N	307.322	1.026	50	20	DDGD	
CC(C)N1CC[C@H](N(C)S(=O)(=O)CC(C)(C)CCl)C1	867372841	KJNGVGNSDDUGJL-LBPRGKRZSA-N	310.891	1.996	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1c(C)cccc1Cl	840912301	LKOSAELRCUXPSM-UHFFFAOYSA-N	305.787	1.551	50	20	DDGD	
O=C(NNc1nc(Cl)c(Cl)cc1Cl)NC1CNC1	841951008	LBXYGDJIIQVKPY-UHFFFAOYSA-N	310.572	1.640	50	20	DDGD	
C[C@H](CO)C1CCN(C(=O)/C(C#N)=C\c2cnn(C)c2)CC1	846471569	PZHUGBYXDWGSBS-FKZYXTMDSA-N	302.378	1.194	50	20	DDGD	
CC[C@@H](C)NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	849227593	ZWHPRMUGHQMZEJ-SNVBAGLBSA-N	300.403	1.058	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H](C)Cc2cnc[nH]2)cc1	848240962	JBQJVVRJUFGTLA-NSHDSACASA-N	316.361	1.447	50	20	DDGD	
CCn1cc(N(CC(=O)NNC(=O)C(C)(C)C)CC(C)C)cn1	846981743	GBMFRMHPKNMHAX-UHFFFAOYSA-N	323.441	1.559	50	20	DDGD	
O=C(NNc1cnccn1)[C@@H](C[C@@H]1CCCO1)C(F)(F)F	845955401	OATDBWPMGGTPCE-DTWKUNHWSA-N	304.272	1.667	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)c(C)c1)[C@H]1CCOC1	741758392	WZCBHDZTANFZMD-ZDUSSCGKSA-N	303.362	1.771	50	20	DDGD	
Cc1ccc(-n2nc(C(=O)NN(C)C[C@@H](C)O)cc2C)cc1	910151621	GWDVMRHLNODLNW-CYBMUJFWSA-N	302.378	1.447	50	20	DDGD	
CCC(CC)(C(=O)NNC(=O)C(C)C)C(=O)OC(C)(C)C	845084026	FXJDUNSVTIBLFP-UHFFFAOYSA-N	300.399	1.938	50	20	DDGD	
C[C@@H]1CCCc2ncc(C(=O)NNC(=O)NC3CCCC3)n21	845322652	ZGSVEXMGMFWCRY-SNVBAGLBSA-N	305.382	1.667	50	20	DDGD	
Cc1cccc(NNC(=O)c2cn(Cc3ccccn3)nn2)c1	743301471	GGAGOAYBPKVPOP-UHFFFAOYSA-N	308.345	1.787	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)/C=C\c1ccc2c(c1)OCO2	843637002	ABDNUSVHWSOFMC-CVEGFPIKSA-N	318.329	1.001	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CCCC[C@@H]2CN)c1	841954376	WQDFUCISWHYGQH-TZMCWYRMSA-N	320.393	1.617	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1cc(Cl)c2c(c1)OCCO2	842559573	VJJVQUPDNMGCCS-KOLCDFICSA-N	324.764	1.986	50	20	DDGD	
O=C(NNc1ccccc1Br)[C@]1(O)CCOC1	840402566	YYRYLOBTLSRYFF-NSHDSACASA-N	301.140	1.044	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cnc(C)s2)c1O	748837952	NIDZCXAZJZMZIA-UHFFFAOYSA-N	307.331	1.241	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(-n2cncn2)c(C)c1	743435692	KPPRCVPQUPRCPK-UHFFFAOYSA-N	316.365	1.245	50	20	DDGD	
CCC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)[C@H]1CC1(C)C	841621155	ULSPCKHVZOFENT-VHSXEESVSA-N	301.412	1.285	50	20	DDGD	
COCCOCC(C)=NNC(=O)COc1ccc(Cl)cc1	741161171	JSVDSIVFUSLASF-UHFFFAOYSA-N	314.769	1.874	50	20	DDGD	
CSc1ccccc1CC(=O)NNC(=O)[C@H]1CCO[C@H]1C	843663968	ZZAKBTAPVWLHIN-JQWIXIFHSA-N	308.403	1.523	50	20	DDGD	
CCCCS[C@@H](C)C(=O)NNC(=O)C(=O)NC(CC)CC	740851157	SLGJLOGGTGPGFU-JTQLQIEISA-N	317.455	1.360	50	20	DDGD	
Cc1nnc(NNC(=O)c2cccc(C(C)(C)C)c2)nc1O	848367319	HHPYGWWUZIMNQQ-UHFFFAOYSA-N	301.350	1.940	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)CCNC(C)(C)C)c1	929390543	LQHWJZRQOVXNCZ-UHFFFAOYSA-N	306.410	1.292	50	20	DDGD	
C[C@@H](C(=O)NNc1ccccc1S(N)(=O)=O)C1CCCC1	842262136	QSVNBXACSLEVBP-SNVBAGLBSA-N	311.407	1.603	50	20	DDGD	
CO[C@H]1COCC[C@@H]1CNC(=O)NNc1ccc(F)c(F)c1	922694873	BPISNUGOWJTGEU-RNCFNFMXSA-N	315.320	1.642	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H](C)Cc2cccc(Cl)c2)nc1O	756751821	YHVICINZUIVWBL-MRVPVSSYSA-N	321.768	1.861	50	20	DDGD	
COc1cc(OC)c(OC)cc1C=NNC(=O)NCC1CC1	920828825	HEMTUKDYSGEJQM-UHFFFAOYSA-N	307.350	1.756	50	20	DDGD	
Cc1ccc(NNC(=O)NC2CCN(CC#N)CC2)cc1F	853698998	VQLWMUFGLVSEBH-UHFFFAOYSA-N	305.357	1.748	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1ccccc1C)[C@H]1CCCO1	756049663	FJRPHDOBDRVRHU-UONOGXRCSA-N	305.378	1.897	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc2cc(OC)ccc2nc1C	854927180	XOEPJMQLSXLSDX-UHFFFAOYSA-N	318.402	1.633	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1cccc([S@@](C)=O)c1	756525250	LSAVJSGOXDHMSY-JOCHJYFZSA-N	320.374	1.229	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NC[C@@H]1CCCS1	756942456	MOBCZDONPHUKSV-ZDUSSCGKSA-N	323.418	1.429	50	20	DDGD	
Cc1cc(=NNC(=O)NCc2cc(C3CC3)nn2C)cc[nH]1	927603046	UVISIRWSRHKNHA-UHFFFAOYSA-N	300.366	1.249	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccc(C)n(C)c2=O)cc1F	854025507	OJYCPIPCJVPNBS-UHFFFAOYSA-N	318.352	1.968	50	20	DDGD	
CC(=NNC(=O)Cc1cccnc1)c1cc(C(=O)O)ccc1O	757460286	BVMBHOIQPKDCDO-UHFFFAOYSA-N	313.313	1.568	50	20	DDGD	
O=C(NNC(=O)[C@@]12CCC[C@@H]1C2)c1cc(Br)c[nH]1	929449799	RWEKWZOFIYUQIC-JMCQJSRRSA-N	312.167	1.728	50	20	DDGD	
CCOc1ncccc1C(=O)NNC(=S)N[C@H](C)C1CC1	855103724	SSQQZUYJIXJCRV-SECBINFHSA-N	308.407	1.388	50	20	DDGD	
COc1cccc([C@@H](O)C(=O)NNc2ncc(F)cc2F)c1	857533279	QVNFAGMSBHSXFB-GFCCVEGCSA-N	309.272	1.545	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=O)c2ccc(C#N)cc2)C1	857853585	DWCZIKZKMYSYIV-HZMBPMFUSA-N	323.356	1.408	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCOC2)c1C	854805238	HUSMKEJGLIEFMV-DHDCSXOGSA-N	303.362	1.475	50	20	DDGD	
CCN1CCC(CNC(=O)NNc2ncc(Cl)cn2)CC1	856854928	RQDZZCICLFBNKN-UHFFFAOYSA-N	312.805	1.488	50	20	DDGD	
C[C@@H]1CN(C(=O)NC[C@]2(C)C[C@H]2Br)[C@H](C)CN1	857105023	CLVLNNXLUANGHX-BFLSOPEQSA-N	304.232	1.552	50	20	DDGD	
Cc1noc(CCC(=O)NC[C@]2(C)C[C@@H]2Br)n1	857401667	GKSGKFDJGRMYQV-KWQFWETISA-N	302.172	1.600	50	20	DDGD	
CCN(CC)C(=O)CNC(=O)NC[C@@]1(C)C[C@@H]1Br	856825655	ANESQILOCMFDJG-JOYOIKCWSA-N	320.231	1.328	50	20	DDGD	
O=C(CN1CCCC1=O)OC[C@H](CBr)C1CC1	859483836	MAAWPRFJTOEANW-JTQLQIEISA-N	304.184	1.573	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H]1C[C@@H]1c1cc(OC)ccc1OC	854919663	ADYLSUJFVPEFOG-ZYHUDNBSSA-N	323.418	1.275	50	20	DDGD	
COC(=O)N1CC(NC(=O)NNc2cc(F)cc(Cl)c2)C1	853876367	BSQSIXQVLONMQF-UHFFFAOYSA-N	316.720	1.556	50	20	DDGD	
C[C@@]1(CNC(=O)COC2CCNCC2)C[C@H]1Br	857007611	QHSDVDKWBSKWLB-PWSUYJOCSA-N	305.216	1.045	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@@H](C)Cc1ccc(OC)cc1	759673971	JCECFOKIOWVECR-LBPRGKRZSA-N	323.393	1.241	50	20	DDGD	
CC(C)(C)NCCC(=O)NNC(=O)c1c[nH]c2ccccc12	929390286	GROJTCAOUKSJFW-UHFFFAOYSA-N	302.378	1.707	50	20	DDGD	
C[C@@]1(C2CC2)NC(=O)N(C[C@@]2(C)C[C@@H]2Br)C1=O	857227529	OZRVFCMTWGBRNH-AXTRIDKLSA-N	301.184	1.880	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2cc3n(n2)CCCC3)n1	857486894	VASSTKFNQNDJLD-UHFFFAOYSA-N	307.745	1.002	50	20	DDGD	
Nc1ncc2c(n1)CN(C[C@H](CBr)C1CC1)CC2	857922273	ZAOAUJVFVJFUME-NSHDSACASA-N	311.227	1.838	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)COCCc2ccccc2)n1	753450336	SYWRVPVQHDTPLF-UHFFFAOYSA-N	321.768	1.415	50	20	DDGD	
CN(Cc1cn(C)nn1)C(=O)NC[C@]1(C)C[C@@H]1Br	856893851	QTLIBPXRLDHPLK-ONGXEEELSA-N	316.203	1.130	50	20	DDGD	
COC[C@@](C)(NC(=O)NNc1nc(C)cc(C)n1)C(F)(F)F	932338186	WMIBSLVDMJABMU-LLVKDONJSA-N	321.303	1.687	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Nc1ccc(C)nc1	757734767	VYPIYDXJOSBNEY-UHFFFAOYSA-N	314.345	1.794	50	20	DDGD	
O=C(Cn1cc(C2CC2)cn1)NNC(=O)c1ccccc1F	854180363	LNNJJOBUISPJHI-UHFFFAOYSA-N	302.309	1.361	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)NC(=O)CO2	755516587	SZWXAAORUNACBA-QMMMGPOBSA-N	306.322	1.216	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN1C1CCCC1)c1ccccc1F	862467632	PIZAPYAHQOOVCR-AWEZNQCLSA-N	305.353	1.604	50	20	DDGD	
COC(=O)c1cc(S(=O)(=O)NCC(Cl)Cl)oc1C	867469729	CELJRUSUHPETBJ-UHFFFAOYSA-N	316.162	1.457	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)Cc2n[nH]c3c2CCCC3)c1	862477356	KLIACVJSWGWVIG-UHFFFAOYSA-N	318.402	1.662	50	20	DDGD	
C[C@@H](C(=O)NNc1ccncn1)n1ccc(C(F)(F)F)n1	868645795	FFBWMLFHWMMLSQ-ZETCQYMHSA-N	300.244	1.396	50	20	DDGD	
COc1ccc(NNC(=O)c2cccc(F)n2)c([N+](=O)[O-])c1	764820880	OYEMMCJJAFUZLA-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
COCCCn1cc(C(=O)NNc2cccc(OC)n2)cn1	860677613	UPCDHEHZRIKVPY-UHFFFAOYSA-N	305.338	1.080	50	20	DDGD	
COC[C@](C)(NC(=O)NNC(=O)CC(C)(C)C)C(F)(F)F	932330086	IBFDYTPMDMKYSU-NSHDSACASA-N	313.320	1.720	50	20	DDGD	
NC(=O)C1(C(=O)NNc2c(Cl)cc(F)cc2Cl)CC1	768008325	ZQVUPTBCKYPXBG-UHFFFAOYSA-N	306.124	1.841	50	20	DDGD	
COc1ccc2c(c1)OC[C@H]2CC(=O)NNC(=O)C1CCCC1	760333364	WAQCXZKEPBNUED-GFCCVEGCSA-N	318.373	1.899	50	20	DDGD	
NC(=O)NCCCCCC(=O)NNc1nc2ccccc2[nH]1	768503920	FNXCPFWFNSBUKC-UHFFFAOYSA-N	304.354	1.235	50	20	DDGD	
CCNc1nc(C(=O)NNC(=O)CCc2ccccc2)cs1	769000661	GWDLCBHHMSCSRG-UHFFFAOYSA-N	318.402	1.969	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1ccc(C#N)s1	762446212	GDYMTSPYQGIJKM-NSHDSACASA-N	320.418	1.428	50	20	DDGD	
COc1ccc(C=NNC(=O)Cc2cc(C)[nH]n2)cc1OC	767396819	UAVKTKZSZCWSTA-UHFFFAOYSA-N	302.334	1.428	50	20	DDGD	
OB(O)c1ccc(CNCc2cccc(OCC(F)F)c2)cc1	863888427	OVFUUCZRXOTIPL-UHFFFAOYSA-N	321.132	1.300	50	20	DDGD	
CCn1cc(C(=O)NNc2ccc(C(F)(F)F)nn2)c(C)n1	860401075	FHFVHGQVKQTIIV-UHFFFAOYSA-N	314.271	1.777	50	20	DDGD	
C[C@@H](C(=O)NNc1cccnn1)n1ccc(C(F)(F)F)n1	867356071	NXNQLEXGRYNNOQ-ZETCQYMHSA-N	300.244	1.396	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CCOc2ccccc2F)n[nH]1	869012846	DPBIVMQROQRDPI-UHFFFAOYSA-N	320.324	1.016	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C	860128620	POEHBMKDOYHVLE-FOCJUVANSA-N	304.390	1.744	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CCc2cn[nH]c2)c(C)c1	863854921	GKXDZIUMFNQDOZ-UHFFFAOYSA-N	315.377	1.219	50	20	DDGD	
Cc1conc1C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	864493511	BWQLMCSRCIZQSW-LBPRGKRZSA-N	317.345	1.828	50	20	DDGD	
COC1(C=NNC(=O)CCc2ccccc2O)CCOCC1	761807690	SQBILHQQJSRRCK-UHFFFAOYSA-N	306.362	1.622	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)NNc1cc(C(F)(F)F)ccn1	1117813783	FHUDEHKYBCPLGD-UHFFFAOYSA-N	304.272	1.458	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CCCC(N)=O)c(C)c1	873758728	WRPSIONCVIFTNY-UHFFFAOYSA-N	308.407	1.277	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCc1ccc2c(c1)CCO2	1116238120	BEEOWFLYVJRFHD-UHFFFAOYSA-N	305.378	1.685	50	20	DDGD	
CCNC(=O)CC(=O)NNC(=S)Nc1cccc(Cl)c1	873787059	RKZWARDTECICOX-UHFFFAOYSA-N	314.798	1.184	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)n2ccc(C(F)(F)F)n2)ncn1	878856779	NWADJDHEYBNMEY-QMMMGPOBSA-N	314.271	1.705	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CC1CCC(OC)CC1	772214805	UOZMRYFQFJJLDD-UNXYVOJBSA-N	314.382	1.071	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccc(CC(=O)OC)c1	777778043	IMRWLUSURRTQLI-UHFFFAOYSA-N	307.350	1.146	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2CCNC(=O)C2)c(C)c1	873759214	KOVSHJJUESDPAL-NSHDSACASA-N	320.418	1.147	50	20	DDGD	
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NN=c2cc[nH]c(C)c2)C1	875352615	MFYNQCNYHXPBQN-RGDDPNHNSA-N	324.450	1.518	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNC(=O)c1nc2ccccc2s1	874914440	XAOPUXOVMZGPDF-AWEZNQCLSA-N	302.359	1.997	50	20	DDGD	
C[C@@H](CBr)COC(=O)CCCN1C(=O)CCC1=O	770339237	HARWNIPDZBIVRX-VIFPVBQESA-N	320.183	1.490	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1cccc(Cn2cccn2)c1	779353522	GGZWOLVXAJTECI-UHFFFAOYSA-N	313.361	1.884	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H](C)N(C)Cc1ccccc1	875268384	YSYYHPZOHZISHE-LBPRGKRZSA-N	308.382	1.419	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCC[C@H](C[C@H]2CCOC2)C1	773544384	GCAKXFUDNADDSH-CHWSQXEVSA-N	311.426	1.912	50	20	DDGD	
COc1ccc2c(c1)CC[C@@H](C(=O)NNC(=O)CC(C)C)C2	878007813	MCKBVCQETZWOIN-CQSZACIVSA-N	304.390	1.994	50	20	DDGD	
CCC(C)(C)NC(=S)NNC(=O)[C@H]1COc2ccccc2O1	774137462	GHBRLTXJRVGZTP-GFCCVEGCSA-N	323.418	1.510	50	20	DDGD	
N#Cc1cccc(NNC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)c1	771441017	BJNMMTSXUJSULV-GDBMZVCRSA-N	316.361	1.522	50	20	DDGD	
Cc1cc(NC(=O)NNc2ncc(F)cn2)cc2n[nH]cc12	775694228	CWUMPIBZKRJJCC-UHFFFAOYSA-N	301.285	1.949	50	20	DDGD	
C[C@@]1(CNC(=O)c2csc(CCN)n2)C[C@H]1Br	1118753703	ADWLFSLISLVGLP-KCJUWKMLSA-N	318.240	1.548	50	20	DDGD	
O=C(NNC(=O)[C@H](O)Cc1ccccc1Cl)c1ccc[nH]1	771926319	ACZOIBWSWYCXAT-GFCCVEGCSA-N	307.737	1.033	50	20	DDGD	
CCC1(O)CCC(NC(=O)NNC(=O)CC(F)(F)F)CC1	772597093	QJVHVSZVPBERQM-UHFFFAOYSA-N	311.304	1.353	50	20	DDGD	
COc1ccccc1C(=O)NCC(=O)NCCCSC#N	774298334	PLCOUUIYBWCGDO-UHFFFAOYSA-N	307.375	1.146	50	20	DDGD	
COCc1ccc(NC(=O)NNC(=O)c2ccccn2)cc1	772584282	MBPRYBZRDJPGHK-UHFFFAOYSA-N	300.318	1.695	50	20	DDGD	
COc1ccc(C2(NCC(=O)NNC(=O)C(C)(C)C)CC2)cc1	775412171	KUKFDWYPRSOOFS-UHFFFAOYSA-N	319.405	1.467	50	20	DDGD	
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CCCOC1	779773341	WEFPYNLLCRSJHK-JTQLQIEISA-N	307.306	1.833	50	20	DDGD	
Cc1cc(CNC(=O)NNc2cccc(S(C)(=O)=O)c2)no1	776618680	FAPLSQCMJQNTKC-UHFFFAOYSA-N	324.362	1.213	50	20	DDGD	
C#CCOc1ccccc1NC(=O)NNc1nccc(OC)n1	776090298	UWAXTKXVSQUTQQ-UHFFFAOYSA-N	313.317	1.646	50	20	DDGD	
Cn1ncc2c1C[C@H](C(=O)NNc1ccc(F)c(F)c1)CC2	885113998	PQKKQMSOZNXDKW-SECBINFHSA-N	306.316	1.947	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CC[C@@H](C)OC)cc1OC	782184129	GSNIEZHXRCBWDE-SNVBAGLBSA-N	310.350	1.280	50	20	DDGD	
CCCc1cc(C(=O)NNc2cccc(C(=O)OC)c2)n[nH]1	780795457	LOCHSELEUUETFX-UHFFFAOYSA-N	302.334	1.906	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNc1ccccc1C(=O)OC	780738142	HJOINVHWMPPJDN-UHFFFAOYSA-N	321.377	1.565	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CC[C@](F)(C#N)C2)cc(C#N)n1C	787377261	KCQGKOXQKWSFKE-VGEAAAHDSA-N	311.320	1.576	50	20	DDGD	
COC(=O)[C@@H](CNS(=O)(=O)CCCCCl)CC(C)C	780797592	LAOZINNEPCJXAK-LLVKDONJSA-N	313.847	1.760	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)C2CCOCC2)c2ccccc21	883069328	FCXPXCPHEWRAEC-CQSZACIVSA-N	316.357	1.321	50	20	DDGD	
CN(C)N(C(=O)[C@@H]1CCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1	781579512	AMVXMIDQYAGOFR-VXGBXAGGSA-N	302.440	1.305	50	20	DDGD	
COc1ccnc(NNC(=O)c2cccc(NC(C)=O)c2C)n1	785403999	OIUQZXVMTSUGSI-UHFFFAOYSA-N	315.333	1.509	50	20	DDGD	
CCCCC[C@@H](NS(=O)(=O)CBr)C(=O)OC	782466822	BJMCQGSJYUCBBH-MRVPVSSYSA-N	316.217	1.380	50	20	DDGD	
C[S@](=O)Cc1cccc(C(=O)NNc2ncncc2Cl)c1	781824682	GDHWUYUUUXOGQT-NRFANRHFSA-N	324.793	1.765	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)[C@H]1CCCS1(=O)=O	885128352	RRPRILHIKYMCTN-LLVKDONJSA-N	302.783	1.669	50	20	DDGD	
O=S(=O)(CBr)N[C@@H](CCO)c1cccs1	782453571	HSQFUIPJVCDPBW-ZETCQYMHSA-N	314.226	1.443	50	20	DDGD	
COc1ccc(CCCC(=O)NNc2ncccn2)cc1OC	895631096	QUTJPEFCHAGCIJ-UHFFFAOYSA-N	316.361	1.960	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CCN2C(C)(C)C)c([N+](=O)[O-])c1	897048609	SGASVQMOIXXVAU-LBPRGKRZSA-N	322.365	1.919	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cncc(Cl)c1	890270945	JMARPAIIBADALY-UHFFFAOYSA-N	305.812	1.801	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)C(=O)Nc1cccnc1	783417636	YLQNWLGYYVIVBS-UHFFFAOYSA-N	313.317	1.181	50	20	DDGD	
O=C(/C=C\c1ccc(Cl)s1)NNC(=O)C1CCOCC1	894097840	RDFNHEHJBTXWIY-RQOWECAXSA-N	314.794	1.989	50	20	DDGD	
C[C@H](C(=O)NN=c1cc[nH]cc1)c1ccc(S(C)(=O)=O)cc1	780761498	RQAGDVKMQUQDPI-NSHDSACASA-N	319.386	1.154	50	20	DDGD	
C[C@H](C(=O)NNC(=S)NC(C)(C)C)N1CCc2ccccc21	899991900	DUBUJAZGSBESBC-LLVKDONJSA-N	320.462	1.731	50	20	DDGD	
CCC[C@@H](C(=O)O[C@H](C)C(=O)NNC(=O)CC)c1ccccn1	799534142	FWRVXPNVWWKXOC-VXGBXAGGSA-N	321.377	1.454	50	20	DDGD	
C=C(CBr)COC(=O)CCn1ccccc1=O	795447804	ZXWRDTZUBHLFFQ-UHFFFAOYSA-N	300.152	1.733	50	20	DDGD	
O=C(NNS(=O)(=O)c1csc2ccccc12)c1ccc[nH]1	795291060	RJTWNEYVSRYUGE-UHFFFAOYSA-N	321.383	1.853	50	20	DDGD	
CC(=NNC(=O)CC(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1	799110583	XLORYYMSVNCQPS-UHFFFAOYSA-N	304.228	1.970	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)[C@@H]1CCC(=O)c2cccn21	790618647	MPVVXHDXFDDKCQ-ZDUSSCGKSA-N	303.362	1.733	50	20	DDGD	
C[C@@H]1CCC[C@@H]1CNC(=O)NNC(=O)COc1ccccc1O	798511452	OGQSBZSQPGAFRT-VXGBXAGGSA-N	321.377	1.538	50	20	DDGD	
N#CC[C@H](CC(=O)NNC(=O)c1ccncc1)c1ccccc1	792760496	BAVIWWRRVLIBHB-OAHLLOKOSA-N	308.341	1.930	50	20	DDGD	
CSSCCNC(=O)NCCCOC1CCOCC1	790877745	IDTFUKUYLWSRBG-UHFFFAOYSA-N	308.469	1.883	50	20	DDGD	
COCCn1cc(C=NNC(=O)c2ccc(OC)cc2)cn1	1318836848	QBNFDOIIJMLZCE-UHFFFAOYSA-N	302.334	1.302	50	20	DDGD	
CCOC(=O)c1n[nH]cc1/C=C(/C#N)C(=O)[C@@H]1CCCOC1	1321071824	DZOJKALDNXLITA-CHPNCVJKSA-N	303.318	1.489	50	20	DDGD	
CCn1nc(C(C)C)cc1C(=O)NNC(=O)CC(F)(F)F	1323788264	DASSTTNQIPHXDD-UHFFFAOYSA-N	306.288	1.740	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccccc1Cl)[C@@H]1CCCNC1	1326132581	KXSKFIVJVJKSKM-WDEREUQCSA-N	324.812	1.672	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CC(=O)NNc1nccn(C)c1=O	1320165245	QUISYYXCSIKLFN-MRVPVSSYSA-N	305.338	1.022	50	20	DDGD	
CCOC(=O)NCC(=O)NNc1cncc(Br)c1	1323085392	UCTAMZFSKMSCJE-UHFFFAOYSA-N	317.143	1.033	50	20	DDGD	
CCOC(=O)C[C@@H]1CCCN1C(=O)NNC(=O)c1ccccc1	1320444418	SKGFRHMNEMPYER-ZDUSSCGKSA-N	319.361	1.459	50	20	DDGD	
O=C(CCl)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1	1323269723	PQHYZENRFBGBAH-SECBINFHSA-N	317.798	1.297	50	20	DDGD	
CC(C)CN1CCC[C@@H]1C(=O)NNC(=O)OCC(F)(F)F	1337350625	SGKLUKKMGNVBEI-SECBINFHSA-N	311.304	1.427	50	20	DDGD	
O=C(CSCc1cccc(Cl)c1)N1CC[C@@H](B(O)O)C1	585074182	JQUFLVKFWZOOJX-LLVKDONJSA-N	313.615	1.649	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cc2nccc(C(F)(F)F)n2n1	1263700924	MAZBKDKRGFCNDB-UHFFFAOYSA-N	315.255	1.165	50	20	DDGD	
CCOc1ccc(CCNC(=O)NNc2ncncc2F)cc1	1341329573	VPHFKRGLHNPILB-UHFFFAOYSA-N	319.340	1.883	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H](O)[C@H](C)c1ccccc1F	1348501643	LMHQRJSJBOXOLG-BXKDBHETSA-N	313.398	1.194	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cnoc1C(C)C	1348642649	HSWOAFCQGUQNSY-UHFFFAOYSA-N	317.345	1.810	50	20	DDGD	
O=C(CCc1cnccn1)NNc1ccc2c(=O)[nH]ccc2c1	1345486822	GIMOXCNBRFRWLX-UHFFFAOYSA-N	309.329	1.394	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2n[nH]c3c2CCCC3)c[nH]1	1340109718	LQCKZYDNMXCIRU-UHFFFAOYSA-N	315.333	1.167	50	20	DDGD	
O=C(NCCC(F)F)NNc1ncc(Br)cn1	1527992731	MYWGNAFCATXGNW-UHFFFAOYSA-N	310.102	1.520	50	20	DDGD	
O=C(NNc1cnccn1)c1cc(-c2nn[nH]n2)ccc1Cl	1606861806	GEZOYNIHPNLYHY-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccc(C(=O)O)cc1F)N1CCCC1=O	1609884674	SIMVBUIMUKKSHK-LBPRGKRZSA-N	323.324	1.368	50	20	DDGD	
COc1cc(-c2nn[nH]n2)ccc1C(=O)NNc1ccc(C)cc1	1605161873	YJUOEJBTYQLHOV-UHFFFAOYSA-N	324.344	1.941	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1ccc(F)c(C(=O)O)c1	1601554852	KNTAGKJXGAOOOX-UHFFFAOYSA-N	306.253	1.319	50	20	DDGD	
Cc1cccc(NNC(=O)Cn2cc(C(=O)O)cn2)c1Cl	1600542656	VEEMATADUUPITK-UHFFFAOYSA-N	308.725	1.686	50	20	DDGD	
O=C(C[C@@H]1CCCOC1)NNc1ccc(-c2nn[nH]n2)cc1	1606503478	GOAAKCVQXNXXOV-JTQLQIEISA-N	302.338	1.127	50	20	DDGD	
CO[C@@H]1CN(C(=O)C2CCC(Cl)CC2)[C@](C)(C(=O)O)C1	1606759616	FBRBXTVJPYTFSS-PTNRUYDSSA-N	303.786	1.875	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCc2cccc(O)c2)c(C)o1	1548615856	OJLSARXTAGJKOJ-UHFFFAOYSA-N	302.330	1.996	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@@H]2CCCC23OCCO3)ccc1F	1610814848	XZMQLGXSHDEIEV-NSHDSACASA-N	324.308	1.510	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@@H](O)Cc1ccccc1	1610806681	REDYDSUFOJLUCH-ZDUSSCGKSA-N	318.304	1.571	50	20	DDGD	
O=C(NN=Cc1csc(C2CC2)n1)[C@@H]1CN2CCC[C@H]2CO1	1549319233	SRRJWZCEDCRZAR-STQMWFEESA-N	320.418	1.334	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)Cc2cccc3ccccc23)CCNC1	1573602123	SEXTWBSRDYODGU-SFHVURJKSA-N	311.385	1.529	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)c1cn(C)c2ccccc12)[C@@H](C)N	1575413118	JXLACVCAERXGDX-IAQYHMDHSA-N	316.405	1.559	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)NC1CCNCC1)c1cccs1	1574974057	XVIVJPPALTZEBU-KTKRTIGZSA-N	308.407	1.234	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)Nc1cccc(F)c1	1582561953	CQPVCVHUOJXOCT-UHFFFAOYSA-N	314.284	1.549	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@@H]1CC[C@H](C2CC2)N1	1580743282	XNJUGHYNCXDBLW-OLZOCXBDSA-N	301.394	1.718	50	20	DDGD	
C[C@H](NNC(=O)C1(C(=O)O)CCSCC1)C(F)(F)F	1589131679	AIKWHNMHDYECHM-LURJTMIESA-N	300.302	1.156	50	20	DDGD	
CCC(=O)N1CC2(CCCN2C(=O)[C@H](C)CBr)C1	1841286897	HKLHGRUJDXZHNB-SNVBAGLBSA-N	317.227	1.631	50	20	DDGD	
C=C(CBr)n1cc(CCC(=O)CC(=O)O)nn1	1588605143	AAQYRHBYNGBCLJ-UHFFFAOYSA-N	302.128	1.120	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)C1(C(=O)O)CC1	1594708874	ZXIBGFZWFTYDRH-UHFFFAOYSA-N	312.325	1.395	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)C(=O)O)C[C@H]1C(F)(F)F	1596568264	JJMHEYCXTDWYMK-JGVFFNPUSA-N	324.255	1.085	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@H](C(=O)O)c1ccc(C)cc1	1596864151	QCYNQHVMKDMDHZ-UELRPHRMSA-N	302.330	1.723	50	20	DDGD	
O=C(NN=C1CC(C(F)F)C1)c1ccc(-c2nn[nH]n2)cc1	1593153734	SQDVOWBQFLEOGI-UHFFFAOYSA-N	306.276	1.628	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@H]1C[C@@H](C)O[C@H]1C	1599376571	VNHCKUNXXJQTOV-WCABBAIRSA-N	308.334	1.650	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H](C(=O)NNc2ccc(C)c(C(=O)O)c2)C1	1598897252	BWCZATQYJXAKPC-WDEREUQCSA-N	320.345	1.726	50	20	DDGD	
CN1CCCC[C@H](C(=O)NNc2ccc(F)c(C(=O)O)c2)C1=O	1598597314	BLRVKZULUASMBM-SNVBAGLBSA-N	323.324	1.226	50	20	DDGD	
Cc1cc(C=NNC(=O)c2ccc(O)cc2)ccc1-c1nn[nH]n1	1591959044	YIUZUAISXIFIPE-UHFFFAOYSA-N	322.328	1.645	50	20	DDGD	
Cn1ncc(-c2nn[nH]n2)c1NC[C@]1(C)C[C@@H]1Br	1592597676	JCMCHFVMSZDOCJ-XVKPBYJWSA-N	312.175	1.186	50	20	DDGD	
Cn1nccc1[C@H](NC[C@@H](CBr)C1CC1)C(=O)O	1594596158	WLAXHPAXDQKUIZ-KOLCDFICSA-N	316.199	1.557	50	20	DDGD	
CC(=NNC(=O)c1ccc(CO)o1)c1ccc(C(=O)O)c(F)c1	1776096998	BTEFXKGZHCVEGZ-UHFFFAOYSA-N	320.276	1.763	50	20	DDGD	
CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Cl)C1	1778023027	ODFFDRKPFUNSCI-NQBHXWOUSA-N	306.765	1.055	50	20	DDGD	
CCNC(=O)N(C)N=Cc1ccc(OCC(=O)O)c(OCC)c1	1776049337	HHBIDVGFGQKKNP-UHFFFAOYSA-N	323.349	1.544	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1cc(C(=O)O)c(C)o1	1776120370	DSVLRHFNFMSPKI-XFFZJAGNSA-N	306.318	1.736	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21	11678496	VVWVPURLOJJVON-NSHDSACASA-N	307.325	1.445	50	20	DDGD	
CC[C@@H](NC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Cl)C2	1796178077	DVTPPTBNGXKEJM-IYKVGLELSA-N	319.808	1.157	50	20	DDGD	
Cc1nnc(NNC(=O)COc2ccc(Cl)cc2)nc1O	11548075	GYUMEDWDWXQUQK-UHFFFAOYSA-N	309.713	1.061	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2nc(C)cc(C)n2)cc1	14510285	FSEOAXPVCWMFOK-UHFFFAOYSA-N	300.318	1.637	50	20	DDGD	
CCC(C)(C)NC(=O)c1ccc(NC(=O)NNC(C)=O)cc1	162003627	RJZGPIXJCMMWQI-UHFFFAOYSA-N	306.366	1.778	50	20	DDGD	
CC[C@@H](CC(=O)NNC(=O)CN(C)C)c1ccc(OC)cc1	162111609	SFUXQVAVJGNIJV-LBPRGKRZSA-N	307.394	1.288	50	20	DDGD	
COCCn1c(C)c(C)c2cc(C(=O)NNC(=O)OC)ccc21	158804391	FGUAXDFEKGSNMC-UHFFFAOYSA-N	319.361	1.905	50	20	DDGD	
Cn1c(=O)oc2c(C(=O)NNC(=O)OC(C)(C)C)cccc21	155080884	PSEZOLBJCOKZSR-UHFFFAOYSA-N	307.306	1.301	50	20	DDGD	
CN(C)C(=O)Cc1ccc(NC(=O)NNc2ncccn2)cc1	156158582	RMLJUXZGZMNHFN-UHFFFAOYSA-N	314.349	1.256	50	20	DDGD	
CSSCCNS(=O)(=O)c1cc(C(=O)O)ccc1C	284070544	QKBFGCFOWZPFDI-UHFFFAOYSA-N	321.445	1.983	50	20	DDGD	
Cc1nc(C)c(C(=O)N(C)NC(=O)OCc2ccccc2)[nH]1	863933736	RRMQLPPYJKICOY-UHFFFAOYSA-N	302.334	1.940	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1ccc(N2CCCC2=O)cc1	6991267	TZCZRFWNEQJVNP-UHFFFAOYSA-N	312.329	1.216	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc(C)oc2C)c(OC)c1	8346450	AEIMMZRVCRMCBS-UHFFFAOYSA-N	318.329	1.988	50	20	DDGD	
Cc1cccc(C)c1OCC(=O)NNC(=O)Cc1cccnc1	103425416	ADPSTIZKWDAARV-UHFFFAOYSA-N	313.357	1.467	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc(C)c2[N+](=O)[O-])o1	175832479	ACFKLQRZKYNZHX-UHFFFAOYSA-N	303.274	1.879	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCC(=O)NC(C)C)cc1	26105440	UOGXLEGGNAOPLO-NTEUORMPSA-N	315.373	1.633	50	20	DDGD	
Cc1ccccc1-n1cc(C(=O)NNC(=O)c2ccncc2)cn1	112193308	WHDYENWWOTXDSJ-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
CSC[C@@H](C)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	66757185	DMKHMCUJKKKTBD-SECBINFHSA-N	310.375	1.218	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)/C=C/c1cnc(C)s1	112246875	PCGXOPFJODJLMI-BQYQJAHWSA-N	317.370	1.935	50	20	DDGD	
O=C(Cn1cc(C2CC2)nn1)NNc1cccc([N+](=O)[O-])c1	178837595	RYGBAAGHEDIRSS-UHFFFAOYSA-N	302.294	1.207	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)c1c[nH]nc1C)c1ccccc1	110761837	NOIPRKFHUWAILH-OAHLLOKOSA-N	302.334	1.041	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc(-n3cccc3)cc2)cn1	117679536	YRRCYNMOFKUDLZ-UHFFFAOYSA-N	309.329	1.286	50	20	DDGD	
CCC(=O)Nc1cccc(C(=O)NNC(=O)NCCCOC)c1	65204918	IFBPEWVWYHHSBK-UHFFFAOYSA-N	322.365	1.016	50	20	DDGD	
CN(CCCNC(=O)NNC(=O)C(C)(C)C)CC(F)(F)F	79489707	JQWDUNWDPKKNAW-UHFFFAOYSA-N	312.336	1.247	50	20	DDGD	
CC(=O)NNC(=O)c1ccc(I)cc1	23199122	DEGGMMLKTWJWKV-UHFFFAOYSA-N	304.087	1.072	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H]2CCCOC2)c1C	171024933	BLXLDEHGVLEJLH-KGLIPLIRSA-N	320.389	1.645	50	20	DDGD	
O=C(NNc1nccnc1Cl)C1C[C@@H]2CCC[C@H](C1)C2=O	114893717	KRDWYCNVIPPOSY-ULKQDVFKSA-N	308.769	1.969	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1ccc2[nH]nnc2c1	24760333	IWGFRTZXRVIQAH-UHFFFAOYSA-N	320.312	1.514	50	20	DDGD	
CC(C)[C@H](C)C(=O)NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1	171977940	GALOKBTWEGCYHD-VIFPVBQESA-N	320.397	1.610	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2c[nH]c(C#N)c2)c1	179915650	ZDNODJGZJVEUIS-UHFFFAOYSA-N	312.329	1.343	50	20	DDGD	
O=C(NCc1cc(-c2ccccc2)on1)NNc1ncccn1	171338068	TWELLJHZAUGUIH-UHFFFAOYSA-N	310.317	1.958	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNc1ncccn1)c1ccccc1	125868239	KLHWLFZNOWMWNF-ZDUSSCGKSA-N	300.366	1.406	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1	181962888	RJVZPUXLWKPYRA-NSHDSACASA-N	318.377	1.874	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1scnc1C	71949306	JUTKYEVAEYAXDQ-UHFFFAOYSA-N	320.374	1.333	50	20	DDGD	
COCCC[C@H](C)C(=O)NNC(=O)Cc1ccccc1OC	182581094	VGHBXZLRRVBVEN-LBPRGKRZSA-N	308.378	1.448	50	20	DDGD	
CCc1ccc([C@@H](C)CC(=O)NNC(=O)c2cnn(C)c2)cc1	120970149	AHUHCMVGBPXYAJ-LBPRGKRZSA-N	314.389	1.937	50	20	DDGD	
O=C(NNC(=O)c1c[nH]nc1-c1ccsc1)c1cccnc1	186980524	UJWQHWLSBSCYIA-UHFFFAOYSA-N	313.342	1.608	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccnc(SC(C)(C)C)c1	181409052	CXYOERFHXYDXEA-UHFFFAOYSA-N	310.423	1.295	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NC[C@@H](c1ccc(F)cc1)N(C)C	127531457	PUPRTSKAQJAMMF-VOMSXAGXSA-N	305.353	1.989	50	20	DDGD	
C[C@H](CN1CCOCC1)NC(=O)/C(C#N)=C\c1ccc(F)cc1	182202278	WEKYZFMCVIUCTL-NWFCWYBLSA-N	317.364	1.570	50	20	DDGD	
CN(C)c1ccc(C(=O)NNc2cc(Cl)nc(N)n2)c(F)c1	133994806	RHWBZTDMPRUEJC-UHFFFAOYSA-N	324.747	1.674	50	20	DDGD	
C=CCN(C[C@@H](C)CBr)[C@@H]1CCS(=O)(=O)C1	133972396	SOTYNQGFKDOBIM-WDEREUQCSA-N	310.257	1.693	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1cccc(F)n1	130274953	LFVPFVQHHTVVHI-UHFFFAOYSA-N	318.308	1.102	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H]1CCCN1Cc1ccc(F)cc1	81614311	WMIHNGLKYLHYFP-CQSZACIVSA-N	322.384	1.529	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@@H]1CCCc2cccnc21	194295767	ZVAWZRHGQULLMT-CQSZACIVSA-N	310.357	1.287	50	20	DDGD	
CCC(=CC(=O)NNC(=O)Cc1cn2ccccc2n1)CC	133168501	LEISQMBQHZTUGW-UHFFFAOYSA-N	300.362	1.771	50	20	DDGD	
CC[C@H](C)CC(=O)NNc1c(OC)cccc1S(C)(=O)=O	190317946	IDRMHIFBNBPTHC-JTQLQIEISA-N	314.407	1.978	50	20	DDGD	
CC(C)COCCCNC(=O)NNc1nc2ccccn2n1	190593579	HUEKKENJXWONFP-UHFFFAOYSA-N	306.370	1.418	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CSCc2cscn2)o1	131790942	YUMUGMRAUWFKJL-UHFFFAOYSA-N	311.388	1.739	50	20	DDGD	
Cc1cccc(-c2cncc(C(=O)NNC(=O)C(C)(C)O)c2)c1	192913643	WYNBERLPMATSCZ-UHFFFAOYSA-N	313.357	1.589	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)[C@H]2CC2(C)C)nc2ccccc21	132548722	DIAUBSYVIZINFJ-SNVBAGLBSA-N	300.362	1.309	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1c(F)cc(Br)cc1F	86970587	IYHSOSGIJXDDEW-UHFFFAOYSA-N	319.105	1.898	50	20	DDGD	
Cc1ccnc(NNC(=O)CCNC(=O)c2ccsc2)c1	88425000	WIRNHPNFOOAJFR-UHFFFAOYSA-N	304.375	1.715	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](C)Oc1ccc(OCC)cc1	192053533	HKYXAWKXNUEGKO-CYBMUJFWSA-N	318.373	1.804	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1cccc(O)c1O	193147605	GYRPHGUWGIDNEB-UHFFFAOYSA-N	314.223	1.664	50	20	DDGD	
C[C@@H]1CCN(C(=O)NNC(=O)Cc2cccnc2)CCS1	192244595	WLZHNEPTTPSSMV-LLVKDONJSA-N	308.407	1.192	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)Nc1cnn(CC(F)F)c1	192274337	ZBXGKWCTSDPHPI-UHFFFAOYSA-N	322.279	1.340	50	20	DDGD	
Cc1noc2ncc(C(=O)NNC(=O)CCc3ccccc3)cc12	194774831	LDLDLJCUGPLSHY-UHFFFAOYSA-N	324.340	1.925	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1cc(Br)sc1C	94871076	SBCJVIDAMBJGAO-UHFFFAOYSA-N	313.198	1.148	50	20	DDGD	
O=C(NNc1cnccn1)Nc1cccnc1OCC(F)F	93098640	TWOXCGIPUPUPFE-UHFFFAOYSA-N	310.264	1.664	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc2c(s1)CCOC2	264066640	DMJCQDYCQKSKEZ-UHFFFAOYSA-N	305.359	1.234	50	20	DDGD	
CCOCCC1(CNC(=O)NNc2nc(C)cc(OC)n2)CC1	269780252	ITTVEGUWBNSZMZ-UHFFFAOYSA-N	323.397	1.627	50	20	DDGD	
C#CCOc1ccccc1CNC(=O)NNC(=O)C1CCC1	265125328	FJSBQKKAVYIDKD-UHFFFAOYSA-N	301.346	1.329	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@H]2CCCO[C@H]2C(C)C)n1	268061490	TXZCDSYJHWRXGU-YPMHNXCESA-N	323.397	1.563	50	20	DDGD	
CCc1cccc(C)c1NC(=O)NNC(=O)[C@H](C)OCCOC	272339908	MIKZWFVAEGRYLX-LBPRGKRZSA-N	323.393	1.762	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)[C@H]1CCCCS1	272964289	MWFBYOOOZMIBNX-GFCCVEGCSA-N	310.375	1.204	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2CCc3[nH]ncc3C2)cccc1[N+](=O)[O-]	270257106	YJHKRFHWMJAQLZ-SNVBAGLBSA-N	315.333	1.875	50	20	DDGD	
C[C@@H]1CCC[C@H]1CC(=O)NNC(=O)CNC(=O)c1cccs1	274406978	NPHGFAZQYIWPGW-MNOVXSKESA-N	323.418	1.452	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1cccc2ccn(C)c12	276384631	XEIDPWCZRZDXDP-UHFFFAOYSA-N	316.361	1.310	50	20	DDGD	
C[C@H]1C[C@H](CCNC(=O)NNC(=O)c2ccccc2)CCO1	273338358	NGZAPNXROJNCFJ-QWHCGFSZSA-N	305.378	1.836	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)Nc1ccc2[nH]ccc2c1	274078715	QBZADPDVUUQZDK-UHFFFAOYSA-N	300.318	1.054	50	20	DDGD	
Cc1ccc2c(c1)CC[C@@H](C(=O)NNC(=O)NC1CCCC1)O2	279729235	VSFKVEIIBHIMJJ-HNNXBMFYSA-N	317.389	1.962	50	20	DDGD	
CCOC(=O)N1CC[C@H](NC(=O)NNc2cccc(F)n2)C1	286903013	TZSVJSYJCTUGSN-VIFPVBQESA-N	311.317	1.078	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H]2CCc3nccn3C2)c1	372731034	ZICAUXGMCMDLIB-SNVBAGLBSA-N	304.325	1.737	50	20	DDGD	
C[C@H](CF)NC(=O)NNC(=O)CSc1ccccc1O	289258944	VACDVIUQKKRDHD-MRVPVSSYSA-N	301.343	1.173	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)[C@@H]1CCCC(F)(F)C1	286601326	LEZUBYOZTNPCHD-SNVBAGLBSA-N	322.319	1.931	50	20	DDGD	
C[C@@H]1CN(CCC(=O)NNC(=O)C2=CCCCC2)C[C@@H](C)O1	289612359	ULHMXUFXDNYIEN-CHWSQXEVSA-N	309.410	1.134	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H](C)CNC(=O)OC(C)(C)C)n1	285487611	OTIRVJAXROBSEA-SECBINFHSA-N	323.397	1.697	50	20	DDGD	
CCCS(=O)(=O)c1ccccc1C(=O)NNC(=O)CC1CC1	294000269	AMFAYOKEPDGKIB-UHFFFAOYSA-N	324.402	1.431	50	20	DDGD	
O=C(NNC(=O)C1(c2cccc(F)c2)CCC1)[C@@H]1CCCCO1	295280891	CQSAAJIGSZKZRR-AWEZNQCLSA-N	320.364	1.964	50	20	DDGD	
O=C(CNC(=O)Nc1cccc(Cl)c1)NNC(=O)CC1CC1	295610344	MFBRTSUEYIKKOL-UHFFFAOYSA-N	324.768	1.409	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]32)c1	290579422	SLJHFQCDJRLQQF-CUOATXAZSA-N	310.325	1.329	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)C[C@@H](OC)c1ccccc1	295372036	SKVZBUCEQXCGIU-WCQYABFASA-N	314.407	1.371	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cc2n(n1)CCC2	295805127	SWMQMXHVSVLVKJ-UHFFFAOYSA-N	301.306	1.803	50	20	DDGD	
C[C@](O)(CCc1ccccc1)C(=O)NNC(=O)[C@@H]1CCCCO1	295562517	AAUVZFYQSZZJPW-YOEHRIQHSA-N	320.389	1.087	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(Br)c(C2CC2)n1	296694786	IHWDGDQXGVSDKG-UHFFFAOYSA-N	313.155	1.894	50	20	DDGD	
Cc1ccc2c(c1)[C@H](NC(=O)NNC(=O)[C@@H]1CCCO1)[C@@H](C)C2	292449672	XWQJLVMMUYKXSN-TUKIKUTGSA-N	317.389	1.738	50	20	DDGD	
CC[C@@H](C)CC[C@@H](O)CC(=O)NNC(=O)N=c1cc[nH]cc1	802025721	DRRGQMKOUZERJE-DGCLKSJQSA-N	308.382	1.234	50	20	DDGD	
CO[C@@H](C)CN(C)C(=O)NNC(=O)Cn1ccc2ccccc21	805080013	YTTXGAPFPZJGSF-LBPRGKRZSA-N	318.377	1.349	50	20	DDGD	
C=CCC(C)(C)C(=O)NNC(=O)CNc1ccc(OC)cc1	295905901	ZHISERXDPKDYIJ-UHFFFAOYSA-N	305.378	1.857	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)C(=O)c1ccc(O)cc1	807426261	LBJGKWKOBKOPRU-UHFFFAOYSA-N	300.318	1.632	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)Cn1cc(Cl)cn1	807194939	PLOVUKHHQGCUOD-UHFFFAOYSA-N	308.725	1.466	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)C(F)(F)C2(O)CCCC2)n1	806932587	GNDZYWKKEGJLHN-UHFFFAOYSA-N	320.727	1.822	50	20	DDGD	
CC[C@@H](C)[C@@H](CNC(=O)NNC(=O)c1ccccc1O)OC	297617635	APLCFOQBNHCRCM-ZWNOBZJWSA-N	309.366	1.397	50	20	DDGD	
COc1cc(OC)c(C(=O)NNC(=O)C(C)(C)C)cc1OC	298804371	KSESVCZDJAFCIE-UHFFFAOYSA-N	310.350	1.520	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)[C@H]1CCCCO1)Oc1ccccc1	296435600	NXKALFRTUJRKCC-GXTWGEPZSA-N	321.377	1.353	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccc(NC(=O)C2CC2)c1	299214125	VTZSZNQGZPBNTF-UHFFFAOYSA-N	318.402	1.330	50	20	DDGD	
COCC(=O)NN=C(C)c1nnn(-c2ccc(C)cc2)c1C	814871512	UNWUZKSJCTVGEG-UHFFFAOYSA-N	301.350	1.371	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1cnn(C)c1	813049117	YIVHPDCQCJNLFO-UHFFFAOYSA-N	315.377	1.934	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CCC[C@H](OC)C2)nc1	815878561	KODVXJJXYXJDPD-JQWIXIFHSA-N	307.350	1.517	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)CCOc1ccccc1	812535887	JISDUAYQJOZUMC-STQMWFEESA-N	308.378	1.522	50	20	DDGD	
N#CCCCOc1cccc(C=NNC(=O)Cc2cc[nH]n2)c1	814956954	IQOQSGIFOIKVCC-UHFFFAOYSA-N	311.345	1.785	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc3oc(O)nc3n2)n1	816836880	DAVSYOXLGHBBSK-UHFFFAOYSA-N	300.278	1.092	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1	819122893	KWEMEFPDUBLBGA-KBPBESRZSA-N	321.421	1.363	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2nc(C)oc2C)cc1OC	814203729	LFPGRFLQZCAOHI-UHFFFAOYSA-N	319.317	1.383	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCc2ccnc(C)n2)cc1	814365532	OTMAKUQOKBLCOT-UHFFFAOYSA-N	312.373	1.741	50	20	DDGD	
CCCC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1cccnc1	814763310	YNBCVBHRXYVVRI-AWEZNQCLSA-N	318.421	1.670	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1c[nH]nc1-c1cccnc1	815001966	GFVNYFUADVLNHY-UHFFFAOYSA-N	307.317	1.444	50	20	DDGD	
CCOC1CC(=NNC(=O)[C@H](C)CN2C[C@H](C)O[C@@H](C)C2)C1	814766666	OJXVOLYFZAOGEX-MHDSIBQVSA-N	311.426	1.403	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1O)c1ccc(F)cn1	814951104	NMSPNLKCLPNIJM-UHFFFAOYSA-N	303.293	1.846	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1cnc(Br)s1	819688909	PKLLMKTZNRGLTA-VOTSOKGWSA-N	316.180	1.966	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1coc2c(C)cccc12	820858327	UXDKLATXERDVAE-SNVBAGLBSA-N	318.329	1.844	50	20	DDGD	
CC(C)(C)NC(=O)CCNC(=O)NNc1ccc(Cl)nn1	728064438	HVFFZIZSBIEPOQ-UHFFFAOYSA-N	314.777	1.061	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc2nc(O)n(C(C)C)c2c1	824404654	USCCKRMWALDNLS-UHFFFAOYSA-N	319.365	1.675	50	20	DDGD	
O=C(NN=Cc1c[nH]c2ccc(-c3nn[nH]n3)cc12)C1CCC1	823269736	NIYZYAVXFOBEMX-UHFFFAOYSA-N	309.333	1.598	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H]1CCCc2cn(CCOC)nc21	490841720	JNKILMLYLOBUIS-YBEMTRGBSA-N	318.377	1.467	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccc(Cl)s1	728437297	PRXITKPNTIEBMK-SSDOTTSWSA-N	323.827	1.179	50	20	DDGD	
Cc1noc([C@H](C)N(C)C(=O)/C(C#N)=C/c2cnn(C)c2)n1	491050079	ONZKALQPWBWABJ-NRIUJFNNSA-N	300.322	1.238	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1csc(Cc2ccc(F)cc2)n1	823964715	DQCVVSWNIGMMOY-SNVBAGLBSA-N	323.393	1.830	50	20	DDGD	
CCn1ccc(CC(=O)NNc2cccc(F)c2C(=O)OC)n1	822736713	VXGVKTXWZKCEPI-UHFFFAOYSA-N	320.324	1.515	50	20	DDGD	
COC(=O)NNC(=O)c1cn2cc(Cl)cc(Cl)c2n1	496390969	CYMXCHGAPCNZTQ-UHFFFAOYSA-N	303.105	1.642	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1cnccc1C	494541564	ZVTBJMKERBZDFO-UHFFFAOYSA-N	306.366	1.755	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](C(=O)OC)[C@@H]1CCC[C@H](OC)C1	491011193	OCQITIZXSMCKOY-NAMOHLMMSA-N	324.377	1.293	50	20	DDGD	
CCn1cc(Br)cc1C(=O)NN(C)[C@@H](C)CO	823964957	GQTJEHBDRHFCLI-QMMMGPOBSA-N	304.188	1.228	50	20	DDGD	
CCN(CCO)NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl	823889478	YGHDZBXSEPTWSF-UHFFFAOYSA-N	301.730	1.516	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cc(-c2nc(O)n[nH]2)ccc1C	491011635	PLSQPWVABDILKB-DHZHZOJOSA-N	313.317	1.868	50	20	DDGD	
Cc1ccccc1OCC(=O)NNc1ccc(-c2nn[nH]n2)cc1	826307778	WJRFWQBVZWUGSF-UHFFFAOYSA-N	324.344	1.697	50	20	DDGD	
COc1ccc(CC[C@@H](C)NCc2cccc(B(O)O)c2)cc1	585019102	BKJPBOHXYPLUQL-CQSZACIVSA-N	313.206	1.486	50	20	DDGD	
CCOC(=O)NNC(=O)COc1ccccc1C(F)(F)F	490543310	SZIDTVUIDWOQIM-UHFFFAOYSA-N	306.240	1.862	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)COc1ccc(C(F)(F)F)cc1	823971668	YAQVZYUHSPUYJT-VIFPVBQESA-N	306.284	1.428	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1c(F)cccc1Br	823946663	MHGAQEQDQMMDQA-SSDOTTSWSA-N	305.147	1.546	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1ccc(C(=O)O)cc1	821396158	OLYMMFCAZCUYCT-UHFFFAOYSA-N	316.288	1.528	50	20	DDGD	
O=S(=O)(Cc1ccc(C(F)F)cc1)N1CC[C@@H](B(O)O)C1	585056604	RFRXBROEHCOERC-LLVKDONJSA-N	319.138	1.003	50	20	DDGD	
CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCOC1	823948198	GTYKGDSDZWOKSQ-ZDUSSCGKSA-N	314.349	1.399	50	20	DDGD	
Cc1nn(CCC(=O)O)c(C)c1C=NNC(=O)c1cccn1C	738923326	SZUWOWSMTFFKFX-UHFFFAOYSA-N	317.349	1.077	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(OCC(=O)OC)cc1	494468578	IWEPLWNILFBORC-UHFFFAOYSA-N	311.294	1.021	50	20	DDGD	
NC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ccc(OCC(F)(F)F)cc1	901168806	WJTKASFJVDONNU-ZJUUUORDSA-N	317.267	1.192	50	20	DDGD	
COCCN(c1ccccc1)S(=O)(=O)CBr	832445845	LBRYICQFFFCPQX-UHFFFAOYSA-N	308.197	1.822	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C/c1cc2c(cc1OC)OCO2	491081486	GKJIDAFSIRETRI-SUWUYWEISA-N	318.329	1.482	50	20	DDGD	
CC[C@@H]1C[C@H]1NC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836443047	MBTPDDUBLLZYOH-PSASIEDQSA-N	306.322	1.550	50	20	DDGD	
C[C@H]1CC(=NNC(=O)[C@H]2COc3ccccc3O2)c2nccn21	834917882	LTCWMWMYEBXNOM-IINYFYTJSA-N	312.329	1.508	50	20	DDGD	
C[C@@H]1CN(/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)C[C@H](CO)O1	588560155	LJMFFEUZZWJMRO-UVYVFCJHSA-N	303.318	1.541	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNc1ccccc1C(=O)O	833438024	GAUINVAYGSCAGV-UHFFFAOYSA-N	309.322	1.353	50	20	DDGD	
COc1ccc(C(=O)CCCCC(=O)NNc2nc[nH]n2)cc1	839768793	FUCTVYWTAREXCZ-UHFFFAOYSA-N	317.349	1.700	50	20	DDGD	
C[C@H](CCOCc1ccccc1)NCc1cccc(B(O)O)c1	585041006	LQEIHMMCLPHEIO-OAHLLOKOSA-N	313.206	1.451	50	20	DDGD	
OB(O)[C@@H]1CCN(c2nc(C(F)F)nc3ccc(F)cc23)C1	900966746	VRTJPFDEDRAIKC-SSDOTTSWSA-N	311.072	1.760	50	20	DDGD	
COc1ccc(C(=O)O)cc1C=NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	901259047	OBCVGPTYNNHZRM-MBNYWOFBSA-N	318.329	1.411	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC2CCC(C(=O)O)CC2)c(C)o1	738332117	GRGZZZWKCLPOPU-UHFFFAOYSA-N	323.349	1.484	50	20	DDGD	
O=C(NC[C@@H]1CCCC[C@@H]1C1CC1)c1cccc(B(O)O)c1	584997764	JQDHKLHYZNOROO-GOEBONIOSA-N	301.195	1.313	50	20	DDGD	
COc1ccc(OC(F)F)c(C=NNC(=O)c2cnccn2)c1	732925377	YXGVIBPNLZKROG-UHFFFAOYSA-N	322.271	1.851	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNc1cccc(Br)n1	837210365	LWUKXPOSCCRELY-SSDOTTSWSA-N	315.171	1.202	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)c(F)c1	837206083	IVKQRGFNSKFXRC-IGJMFERPSA-N	310.325	1.869	50	20	DDGD	
COc1ccc(Br)cc1C(=O)CCC(=O)NN	731450632	FPEXLSKKKUQIGU-UHFFFAOYSA-N	301.140	1.411	50	20	DDGD	
CCn1cc([C@H](C)NC(=O)NNC(=O)c2ccccc2C)cn1	836192404	NGCJFOVSOHFRQY-LBPRGKRZSA-N	315.377	1.917	50	20	DDGD	
C[C@@H]1CC=C(C(=O)NNC(=O)c2ccc3c(c2)OCO3)CC1	836202755	QLVASOFZMWIQHQ-SNVBAGLBSA-N	302.330	1.923	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@@H]2CCCC[C@H]2O)cc1F	837058239	KYMJVRLTJHIYFQ-IINYFYTJSA-N	324.352	1.997	50	20	DDGD	
CCN(c1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cn1)C(C)C	585070548	ZMWTXVBIQZQMGS-CYBMUJFWSA-N	305.187	1.005	50	20	DDGD	
Cn1c(C(=O)NNc2cnnc3ccccc23)ccc1[N+](=O)[O-]	733812719	DHUIZCPNAADQHT-UHFFFAOYSA-N	312.289	1.633	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)[C@@H]1CCCC[C@H]1C	834960570	UXNCOLVRUOEQNU-BXKDBHETSA-N	306.366	1.749	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCc1ccc(N(C)C)cc1	732086869	LTHJZOFGVBZHMB-UHFFFAOYSA-N	315.377	1.178	50	20	DDGD	
O=C(NCCCOC1CCCC1)NNC(=O)[C@H]1CCCCO1	836262799	FHRBWSMEKAOGPB-CYBMUJFWSA-N	313.398	1.235	50	20	DDGD	
CNS(=O)(=O)c1cccc(C(C)=NNC(=O)C(C)(C)C)c1	915968894	AYAATSZHESBGQT-UHFFFAOYSA-N	311.407	1.481	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)N[C@H](C)C2CC2)cc1C	915928152	RDQUVFSBPQSIEB-LLVKDONJSA-N	318.377	1.371	50	20	DDGD	
NC(=O)COc1cccc(C(=O)NNc2ccc(Cl)nc2)c1	743817428	ZBEPQEFYHRNYLS-UHFFFAOYSA-N	320.736	1.356	50	20	DDGD	
O=C(NNC(=S)N[C@@H]1CCOc2ccccc21)c1ccc[nH]1	741477855	FUSSPTVWHWWHAL-LLVKDONJSA-N	316.386	1.647	50	20	DDGD	
CS[C@H](CNC(=O)NNC(=O)[C@H]1CCCCO1)C(C)(C)C	836395730	WQFMJHXAVLBRLP-GHMZBOCLSA-N	317.455	1.664	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)[C@@]1(Cl)C[C@H]2CC[C@H]1O2	913508359	YGNBXUKEPZNPFY-XPLICSAQSA-N	306.753	1.935	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)Oc1ccccc1F)c1cn(C)nn1	834929722	HBPWOQIIHXXXSZ-SNVBAGLBSA-N	305.313	1.262	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@@]1(Cl)C[C@H]2CC[C@H]1O2	913163220	GWEWZZYXCHYJOX-ATRFCDNQSA-N	322.661	1.734	50	20	DDGD	
CN(C)c1ccc(NC(=O)NN=C2CCCS(=O)(=O)C2)cc1	741766675	GLXFNOGJHWVFOE-UHFFFAOYSA-N	324.406	1.439	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(OCC(C)C)cc2)n[nH]1	917388203	VUSNPFBAAYJCCS-UHFFFAOYSA-N	316.361	1.828	50	20	DDGD	
Cn1c(CC(=O)NN=Cc2ccccc2O)nc2ccccc21	916313057	DUMYINRFRJVDQR-UHFFFAOYSA-N	308.341	1.972	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C	910141440	SZXBSOWBDLSMEO-GHMZBOCLSA-N	302.415	1.334	50	20	DDGD	
N#Cc1ccc(C(=O)NN=Cc2ccc(OCC(N)=O)cc2)cc1	747052743	MSEVAYVJROCYQM-UHFFFAOYSA-N	322.324	1.186	50	20	DDGD	
COc1csc(C(=O)NNC(=O)COc2ccc(F)cc2)c1	746821484	KJQOIWPTXWQCOJ-UHFFFAOYSA-N	324.333	1.736	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2scc3c2OCCO3)n1	847542150	OITGEZOWXFLEJH-UHFFFAOYSA-N	322.346	1.383	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1nc(-c2ccccc2)no1	842556074	NBOMQDLSTIEKNU-ZYHUDNBSSA-N	300.318	1.612	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)[C@H](C)[C@H](C)S(C)(=O)=O	841422942	SIJPMUYUVZISRU-ZJUUUORDSA-N	302.371	1.646	50	20	DDGD	
O=C(NNc1c(F)cccc1Cl)[C@@H]1CCc2nnnn2CC1	845953001	HSDHTTVRHLTMPA-MRVPVSSYSA-N	324.747	1.561	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NNC(=O)c2ccc[nH]2)cc1C	915186874	AQLZCOHNVJORJL-UHFFFAOYSA-N	323.374	1.345	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](NC2CCOCC2)C(C)C)cc1	746887361	UFGSODRJXHGRHC-MRXNPFEDSA-N	321.421	1.932	50	20	DDGD	
COc1cccc2cc(C=NNC(=O)N3CCOCC3)oc12	745602652	LREXOMKYZBKOOL-UHFFFAOYSA-N	303.318	1.817	50	20	DDGD	
O=C(CCc1ccc2ccccc2n1)NNC(=O)c1ccc[nH]1	747663141	ARZAAWFEGPZWOH-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
Cc1nnc(NNC(=O)c2cccc3c2OC(C)(C)C3)nc1O	848367296	GKMSNKKQNYHPKU-UHFFFAOYSA-N	315.333	1.356	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=Cc2cccc(O)c2O)c1	916314642	OANFGPQHVHGABS-UHFFFAOYSA-N	316.313	1.879	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1c(C)nc([C@@H](C)CC)nc1C	847390938	OSJJIHPTFKWWTJ-VIFPVBQESA-N	307.398	1.500	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)C[C@H](OC)C1CCCC1	849306908	AWPIEOVOOGCTSF-LBPRGKRZSA-N	321.443	1.125	50	20	DDGD	
Cc1nc(N2CCOCC2)sc1C(=O)NN=C1CO[C@H](C)C1	842520918	UYJZMLTVORWPBI-SECBINFHSA-N	324.406	1.183	50	20	DDGD	
CC(C[C@H]1CCCC(=O)N1)=NNC(=O)COc1cccc(C)c1	841607840	ZSJKLIAEJAIPAM-CQSZACIVSA-N	317.389	1.925	50	20	DDGD	
NC[C@H]1CCN(C(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)C1	846665511	HEEMETYPRUTMKP-SBFPOUOMSA-N	301.228	1.747	50	20	DDGD	
C[C@@H](CCCCN)NC(=O)NNC(=O)c1c[nH]c2ccccc12	841997459	XFUNQZHMSITKRY-NSHDSACASA-N	317.393	1.629	50	20	DDGD	
C[C@H]1CN(CCOc2ccc(CCNC(=O)NN)cc2)C[C@@H]1C	841868711	WUDYRRYTJZHWDS-KBPBESRZSA-N	320.437	1.369	50	20	DDGD	
N#Cc1ccc(NNC(=O)CN2Cc3ccccc3C2=O)cc1	748100880	GPSNGFUERKNUIW-UHFFFAOYSA-N	306.325	1.657	50	20	DDGD	
CNCc1cccc(NC(=O)NNc2nc(C)cc(C)n2)c1	841317801	RAZGXHAKUTUVGM-UHFFFAOYSA-N	300.366	1.961	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCc1cccc2c1OCC2	927536326	ZCHWXYUHQQXNEC-UHFFFAOYSA-N	307.350	1.860	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)Nc1cnn(C2CCCC2)c1	925874165	OXLPKIQRRCAUHZ-UHFFFAOYSA-N	321.381	1.578	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)NCCc2cccs2)[C@H]1OC	841621452	HFFLDDXGJPAKKI-CHWSQXEVSA-N	311.407	1.770	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCCSC(C)(C)C	843662440	RCFJSYWDKJNFLB-MNOVXSKESA-N	302.440	1.871	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)N[C@@H]1CCCc2cccnc21	927376096	BSZJLLCLDZWKTE-CHWSQXEVSA-N	318.377	1.359	50	20	DDGD	
CC(C)(C)NCCC(=O)NNC(=O)Cc1c[nH]c2ccccc12	929296015	MJWSOVVWRYWGBF-UHFFFAOYSA-N	316.405	1.636	50	20	DDGD	
O=C(NCCCc1nc[nH]n1)NNc1cc(F)cc(Cl)c1	923129194	SKJJXMUORJLYAS-UHFFFAOYSA-N	312.736	1.856	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccccc1-n1ccnn1	751528444	PLWIOIIXVISOGK-UHFFFAOYSA-N	302.338	1.011	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=S)NCC(F)(F)F	750987128	MUNWYUDRBDYPIV-UHFFFAOYSA-N	306.313	1.156	50	20	DDGD	
CC[C@@H]1C[C@@H](C(=O)NNC(=O)c2cccc(Cl)n2)CCO1	857323477	OJKPJXSHYYCCLX-VHSXEESVSA-N	311.769	1.701	50	20	DDGD	
Cc1ccc(NNC(=O)NCC2CC3(C2)OCCO3)cc1F	927097233	SUZLGFXZINSOQE-UHFFFAOYSA-N	309.341	1.913	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H]1CCCC[C@H]1C	854285994	KVFYKMXZXUGSNL-VXGBXAGGSA-N	301.456	1.687	50	20	DDGD	
CCn1ncc(Cl)c1C(=O)NNc1nc(C)cc(OC)n1	857142925	BUSUXMCTCPQWFE-UHFFFAOYSA-N	310.745	1.420	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ncc2ccccc2c1O	855005143	CFBYDPBUYOFCKM-KOLCDFICSA-N	315.329	1.126	50	20	DDGD	
COc1ncncc1NC(=O)NNC(=O)c1cccc(Cl)c1	757691410	WSYJFSDOAFOVDE-UHFFFAOYSA-N	321.724	1.605	50	20	DDGD	
CC[C@@H](C)N(CC)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	852292653	GAMMZDIGXUMDMV-LLVKDONJSA-N	322.365	1.476	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1c[nH]nc1-c1ccccc1Cl	755037832	DPHAZSBIPUEWAI-UHFFFAOYSA-N	304.737	1.901	50	20	DDGD	
Cc1c(C(=O)NNc2ccc(C(F)(F)F)nn2)cnn1C	755189481	LAJSBACEXTZFAR-UHFFFAOYSA-N	300.244	1.294	50	20	DDGD	
Cn1ccnc(NNC(=O)CC[C@@H]2CC2(Cl)Cl)c1=O	857144762	RXCGTJMWOHARKQ-SSDOTTSWSA-N	305.165	1.197	50	20	DDGD	
C[S@](=O)C1(CNC(=O)NC[C@]2(C)C[C@H]2Br)CC1	856853566	BOUIUMUVXRYSSA-KFRHNXRJSA-N	323.256	1.370	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNc1nc(-c2cccnc2)no1	859314964	CNIJCDOAHUHPEH-NSHDSACASA-N	305.338	1.780	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNc2cnnn2C)cc1OC	857274059	YLMUXCGVDXEAEW-JTQLQIEISA-N	319.365	1.154	50	20	DDGD	
Cc1ccc(-c2ncc(C(=O)NNC(=O)CO)s2)c(C)c1	753439234	NPNXTPKUGSGGHO-UHFFFAOYSA-N	305.359	1.180	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	854922194	AKVZKTKVGSYXFK-JGVFFNPUSA-N	317.336	1.675	50	20	DDGD	
CO[C@@H]1COCC[C@@H]1CNC(=O)NNc1ccc(C)c(F)c1	854106613	ZUQUHNKSNKLLOS-BXUZGUMPSA-N	311.357	1.812	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=S)Nc1ccccc1OC	755640037	RRNHUMBPKHYYFO-JTQLQIEISA-N	311.407	1.685	50	20	DDGD	
CO[C@](C)(C1CC1)[C@@H](C)NC(=O)NNC(=O)c1cccc(F)n1	852382053	JIFOYNMHQVYXIQ-PSLIRLAXSA-N	324.356	1.368	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2ccc[nH]2)cnn1CCC(C)C	756415743	YCYOLJZSWDVJMW-UHFFFAOYSA-N	317.393	1.895	50	20	DDGD	
CSc1cc(C(=O)NNC(=S)N[C@H](C)C2CC2)ccn1	855102184	HNTWCBKKVFAIBP-MRVPVSSYSA-N	310.448	1.711	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC(=O)c2cccn21)OCC(F)(F)F	856020291	BDNVCZBGRFMUPO-QMMMGPOBSA-N	319.239	1.325	50	20	DDGD	
COC(=O)COCCNC(=O)NNc1ccc(Cl)cc1C	923430412	IZUWISRZIHWJOD-UHFFFAOYSA-N	315.757	1.464	50	20	DDGD	
C[S@](=O)c1cccc(NC(=O)NNC(=O)C2CCCC2)c1	756523756	FARHINNRZOLESI-NRFANRHFSA-N	309.391	1.767	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=Cc1ccc(O)cc1F	853406705	PTQFCMAYGICEKU-UHFFFAOYSA-N	323.368	1.924	50	20	DDGD	
CCc1nc(C=NNC(=O)CNC(=O)c2ccco2)cs1	755678163	GBVBHZKQTYQNLU-UHFFFAOYSA-N	306.347	1.179	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C(C)c1nccn1C	755504018	FVNXWNVIUQPULQ-UHFFFAOYSA-N	302.334	1.348	50	20	DDGD	
Cc1ccc(NNC(=O)NCCN2CCOC[C@H]2C)cc1F	853679503	ZVYPWFKZPLNQMZ-GFCCVEGCSA-N	310.373	1.481	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NN=CCC(F)(F)F	853377746	DYRCQQAQVJTIKY-MWLCHTKSSA-N	318.299	1.942	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)Cc1ccc(Cl)cc1)C1CC1	858150955	OCTGYKBUIZRHRY-AWEZNQCLSA-N	310.781	1.845	50	20	DDGD	
C[C@H]1CC/C(=C\C(=O)OCC(=O)NNC(=O)c2ccccc2)C1	754190668	IXGIQPXTMSDNQC-CVCOIXHCSA-N	316.357	1.737	50	20	DDGD	
COCc1cccc(NC(=O)NNC(=O)c2ccccn2)c1	755686622	KARMEQLIAXWOOL-UHFFFAOYSA-N	300.318	1.695	50	20	DDGD	
CC(C)C(=O)N1CCCC[C@H]1C(=O)NN=c1cc[nH]cc1Cl	757422488	WGNLPMGOGNSQJF-ZDUSSCGKSA-N	324.812	1.637	50	20	DDGD	
CNC[C@@H](C)NC(=O)NNC(=O)Cc1ccc2ccccc2c1	851682587	XLPWAMMNKDEQAX-GFCCVEGCSA-N	314.389	1.321	50	20	DDGD	
COC[C@@](C)(NC(=O)NN=c1cc[nH]c(C)c1)C(F)(F)F	932320832	PHBGDCRDHMQBIG-LLVKDONJSA-N	306.288	1.405	50	20	DDGD	
O=C(NNC(=O)N1C[C@H]2CC=CC[C@H]2C1)c1cccc(F)n1	868791962	XUEHSIHKJUUJIQ-PHIMTYICSA-N	304.325	1.473	50	20	DDGD	
C[C@@H]1CC[C@@H](NC(=O)NNC(=O)c2ccc(Cl)cc2)CN1	861685839	RILFVUDUAXRQOA-BXKDBHETSA-N	310.785	1.425	50	20	DDGD	
COC[C@@](C)(NC(=O)NNc1ccc(C#N)cn1)C(F)(F)F	932314753	MRBSJNGNHAGZNS-LLVKDONJSA-N	317.271	1.547	50	20	DDGD	
CC[C@@H](C(=O)NNc1nc2ccccc2[nH]c1=S)C(=O)OC	862293627	ZZLJJRVWBLBYGM-QMMMGPOBSA-N	320.374	1.935	50	20	DDGD	
COCCOc1cc(C(=O)NN[C@@H](C)C(F)(F)F)ccn1	862316459	PJZUQIMTTZVINK-QMMMGPOBSA-N	307.272	1.292	50	20	DDGD	
COC(=O)C1(NS(=O)(=O)CC(C)(C)CCl)CCCC1	866466626	DQNSEEVZYFVHHH-UHFFFAOYSA-N	311.831	1.657	50	20	DDGD	
COC(=O)C1(CS(=O)(=O)NCC(Cl)Cl)CCCC1	867469375	CROKQFUFQAOFHL-UHFFFAOYSA-N	318.222	1.443	50	20	DDGD	
CCc1nn(C)cc1C(=O)N(C)NC(=O)OCc1ccccc1	862290445	WBYIUMBXEUXQIX-UHFFFAOYSA-N	316.361	1.896	50	20	DDGD	
CC[S@@](=O)c1ccccc1C(=O)NNc1ncc(F)cn1	760907758	YEXCWUBOUGGVMW-OAQYLSRUSA-N	308.338	1.500	50	20	DDGD	
Cc1cc(NCc2ccc(B(O)O)cc2)ccc1N1CCCC1=O	1119293557	XRQPAMKOTQMDQL-UHFFFAOYSA-N	324.189	1.414	50	20	DDGD	
COc1ncc(C(=O)NNc2ncnc3ccsc23)cn1	766679037	NWHWJMZMKBUEOO-UHFFFAOYSA-N	302.319	1.247	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@]1(F)CCOC1	1119007673	GRLGWESQBOCFFG-ZDUSSCGKSA-N	313.354	1.141	50	20	DDGD	
Cc1cc(=NNC(=O)NCC2(N(C)C)CCCCC2)cc[nH]1	874994657	VBRJPPNWPHWVIY-UHFFFAOYSA-N	305.426	1.703	50	20	DDGD	
Cc1ccc(F)c(CC(=O)NNc2nncc(N)c2Cl)c1	1118835257	MQPOPFIVTVAQJA-UHFFFAOYSA-N	309.732	1.846	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNc2nccnc2C(C)C)n1	772877199	NQLCMGNQWDIBAZ-UHFFFAOYSA-N	315.333	1.539	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@H](CC)c1ccc(OC)cc1	774814139	JUXGUZKXQBHJRK-SMDDNHRTSA-N	307.394	1.682	50	20	DDGD	
CO[C@H](C)CC(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	772956230	WIJZNHKHXJEZAY-NXEZZACHSA-N	314.769	1.680	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)C(=O)N1CCC[C@@H](C)C1	772829662	CRFUCAUJALRYOZ-LLVKDONJSA-N	305.382	1.302	50	20	DDGD	
COCCOCC(=O)NN=Cc1cccc(C(=O)O)c1Cl	872400839	UMRJEELMYOVRIH-UHFFFAOYSA-N	314.725	1.151	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)OCc2nc(O)n[nH]2)c1	774902780	SCBNPUVPACBTQJ-BJMVGYQFSA-N	300.274	1.169	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@H](C)[C@H]1CN(C)CCO1	771340121	GLXBABMDPLAANC-DGCLKSJQSA-N	310.373	1.479	50	20	DDGD	
O=C(NCCn1ccc(C(F)(F)F)n1)NNc1ccccn1	873150437	KBPQBEUDINUYAQ-UHFFFAOYSA-N	314.271	1.623	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])[C@@H]1CCCc2cccnc21	770044477	KKPMTTKZGFQDEE-LLVKDONJSA-N	313.317	1.948	50	20	DDGD	
CCCn1cc(C=NNC(=O)[C@@H](C)Oc2ccc(F)cc2)nn1	872334284	SEICIYOXDTWNAE-LLVKDONJSA-N	319.340	1.745	50	20	DDGD	
CC1(C(=O)NNC(=O)COc2ccc(F)cc2)CC(F)(F)C1	873799374	ZWDFBJWBWRQGIZ-UHFFFAOYSA-N	316.279	1.787	50	20	DDGD	
CCC(CC)n1nccc1C(=O)NNc1nnc(C)c(O)n1	770955444	NCJJLPTZBOJQBO-UHFFFAOYSA-N	305.342	1.200	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCCO2)c1cnn(C)c1C	778538589	SFGQLVGSJPKBTO-UHFFFAOYSA-N	314.345	1.654	50	20	DDGD	
COCCc1ncc(C=NNC(=O)Cc2cc(C)[nH]n2)s1	872340403	YYPWECFZUPOZSV-UHFFFAOYSA-N	307.379	1.056	50	20	DDGD	
O=C(NCc1ccc(OC(F)F)cn1)NNc1cccnn1	775223713	XBXVIVXNDBKDRJ-UHFFFAOYSA-N	310.264	1.299	50	20	DDGD	
COCCOc1cccc(NC(=O)NNc2ncccn2)c1	775524573	RGSCPRLOKMTFCY-UHFFFAOYSA-N	303.322	1.650	50	20	DDGD	
Cc1cc(F)ccc1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	772207666	QAKWKDICAFLRAG-LLVKDONJSA-N	324.352	1.873	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ncccc1C(F)(F)F	770879661	FMJYUWCSIYPVHW-UHFFFAOYSA-N	301.203	1.786	50	20	DDGD	
C[C@@H]1CN(C(=O)C2CCC(Cl)CC2)C[C@@H](C)S1(=O)=O	1123786504	GFABOYAMBWMHOA-QYNFOATHSA-N	307.843	1.818	50	20	DDGD	
COC1(CO)CCN(C(=O)[C@H](Br)C(C)(C)C)CC1	773245241	WQFDFYZCOCTGNS-JTQLQIEISA-N	322.243	1.796	50	20	DDGD	
C=C/C=C\CCNC(=O)NNC(=O)c1cc(OC)cc(OC)c1	883826052	ZKQRYJFQONURGM-WAYWQWQTSA-N	319.361	1.780	50	20	DDGD	
Cn1ncc2ccc(CNS(=O)(=O)CCCCl)cc21	882213936	PAVARIFFKAKEOH-UHFFFAOYSA-N	301.799	1.622	50	20	DDGD	
CO[C@H](C)CN(C)c1nnnn1C[C@]1(C)C[C@@H]1Br	1120226634	LUJWELOXDWFTES-YWVKMMECSA-N	318.219	1.318	50	20	DDGD	
Cc1cnc(C(=O)NNc2ccccc2S(C)(=O)=O)c(C)c1	780501540	KRKKEZNAHNNREX-UHFFFAOYSA-N	319.386	1.859	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)[C@H]1CCCCS1(=O)=O	885143223	XXUOGXSOEMRTDZ-LLVKDONJSA-N	304.318	1.375	50	20	DDGD	
BrC/C=C/n1cc(CCN2CCOCC2)nn1	881295587	QYFZASGSBZQOPW-DAFODLJHSA-N	301.188	1.018	50	20	DDGD	
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)/C(C#N)=C/C1CC1	786681939	YTFRVKPZNIFHIB-UKQSZTSVSA-N	303.362	1.833	50	20	DDGD	
CCC[C@@H](CCCS(C)(=O)=O)C(=O)NNC(=O)C(C)C	789868320	DALDYWPBCAZCFL-NSHDSACASA-N	306.428	1.031	50	20	DDGD	
Cc1cc(NC(=O)NNCC(F)(F)C(F)(F)F)nc(C)n1	880291281	KUHMWOFDXZTKTB-UHFFFAOYSA-N	313.230	1.917	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1cc2c(s1)SCC(=O)N2	785463665	ZBGWDFNKBYIXEJ-UHFFFAOYSA-N	313.404	1.403	50	20	DDGD	
CC(C)S(=O)(=O)CC(=O)NNc1ccc(Cl)cc1F	885109857	GWTCYEHYEDZFFX-UHFFFAOYSA-N	308.762	1.745	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cc(O)cc([N+](=O)[O-])c1	780646736	WXHFQDDIMFASAU-UHFFFAOYSA-N	318.245	1.966	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@]12CCCc1ccccc12)c1cccnn1	882057688	GRXNVZQJWNMCHC-KBXCAEBGSA-N	322.368	1.532	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(C(=O)OC)cnc1Cl	880184285	AEZPNJGQJHVHLL-UHFFFAOYSA-N	316.745	1.136	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1ccccc1OCc1cccnc1	785463299	OOPLLSQGUOJSBG-UHFFFAOYSA-N	313.357	1.882	50	20	DDGD	
CN(C)CC(=O)NN=Cc1cn(-c2ccc(F)c(Cl)c2)nn1	782903991	RTYZPQKPVZJSQL-UHFFFAOYSA-N	324.747	1.072	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1ccccc1C(C)(C)C	784915322	LHEWKUYLTHORGC-UHFFFAOYSA-N	320.393	1.615	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@H]1C[C@H]1c1cccc(O)c1	899998589	TUCXEXQBXMPLLT-NWDGAFQWSA-N	307.419	1.790	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)[C@@H]1CCN(Cc2ccccc2)C1	785466253	OEUSWEYXHGCQMI-OAHLLOKOSA-N	303.406	1.772	50	20	DDGD	
COc1cc(NNC(=O)N[C@H](C)C(=O)N(C)C)ccc1Cl	788876816	YWOGWPQBRQSGAU-MRVPVSSYSA-N	314.773	1.451	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc(O)nc(C2CC2)c1	899995801	FPBVXBIWRATMDK-UHFFFAOYSA-N	308.407	1.572	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2cccc3c2CCO3)n1	797671545	XTUKESOQNUGADS-UHFFFAOYSA-N	312.329	1.791	50	20	DDGD	
O=C(NCC1Cc2ccccc2C1)NNc1nc2ccccn2n1	790367442	PCYMHRLJDRQNPF-UHFFFAOYSA-N	322.372	1.770	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(-c2ccnn2C)ccc1C	799241703	WMFXZVZCNDODFF-UHFFFAOYSA-N	317.349	1.195	50	20	DDGD	
COc1cccc(C(=O)NCC(=O)NNc2ncccc2C)c1	791211542	KHABWOQCPPONKP-UHFFFAOYSA-N	314.345	1.272	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)c1ccncc1	792760510	BBSAWSYBHXUQEN-DJANDWOJSA-N	309.369	1.237	50	20	DDGD	
C[S@@](=O)C1(CNC(=O)NNc2ccc(F)cn2)CCC1	798105385	TZPRWALDAVLYTI-HXUWFJFHSA-N	300.359	1.148	50	20	DDGD	
NC(=O)C1CCN(CCc2ccc(NC(=O)CCl)cc2)CC1	1324705767	AMDRULWQPPILEX-UHFFFAOYSA-N	323.824	1.604	50	20	DDGD	
CCN1CCC[C@@H](CNC(=O)NNC(=O)c2cc(C)cs2)C1	1329194370	XLZUMRKNQHLPJS-LBPRGKRZSA-N	324.450	1.732	50	20	DDGD	
Cc1c(C(=O)NNc2nccnc2Cl)ccc2cncn12	1320102700	ZFRFVAMGAQENCF-UHFFFAOYSA-N	302.725	1.843	50	20	DDGD	
C[C@H]1CCCc2ncc(C(=O)NNc3nncc(N)c3Cl)n21	1326507852	KLZLFLMHQUKFSJ-ZETCQYMHSA-N	321.772	1.563	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1c[nH]c(C(F)(F)F)c1	1323992088	XADZYOSGTTUZTE-UHFFFAOYSA-N	313.301	1.389	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CCCc1nc(C2CC2)no1	1252039152	LJXXSNJUQAZGAE-UHFFFAOYSA-N	311.411	1.173	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2	712925662	NYCKOVJWICKSJK-IJLUTSLNSA-N	307.843	1.882	50	20	DDGD	
CC(C)c1cnc(NC(=O)C(=O)NNc2ncc(F)cn2)s1	1255786357	JHNJUMNXYGASAH-UHFFFAOYSA-N	324.341	1.277	50	20	DDGD	
CN(CC(C)(C)O)c1nnnn1C[C@@]1(C)C[C@@H]1Br	1335973793	BJSHJRMVZJXNOW-GZMMTYOYSA-N	318.219	1.054	50	20	DDGD	
CN(CCC1CC1)C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1331101564	MVQVSBQASUSMDV-GWCFXTLKSA-N	317.227	1.535	50	20	DDGD	
COc1ccc([C@@H](C)NC(=O)NNc2ccncn2)c(OC)c1	1341723880	JYDPJHNAAYZBRW-SNVBAGLBSA-N	317.349	1.881	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccccc1-n1ccc(C2CC2)n1	1347037812	VYINCIBMBHVTHN-LBPRGKRZSA-N	314.389	1.707	50	20	DDGD	
CCn1nc(C)c(C(=O)OC[C@@]2(C)C[C@H]2Br)n1	1344046460	APRRSXUUHZVKTJ-LDYMZIIASA-N	302.172	1.937	50	20	DDGD	
C[C@H]1CCN(C(=O)C2CCC(Cl)CC2)CCS1(=O)=O	1349709542	DNOTVZIQIWJWHQ-UNXYVOJBSA-N	307.843	1.820	50	20	DDGD	
O=C(NNC(=O)c1ccoc1)Nc1ccc(C(=O)O)c(F)c1	1608479669	SNONCRHLINRKGF-UHFFFAOYSA-N	307.237	1.583	50	20	DDGD	
O=C(O)C(=O)NN=Cc1ccc(Cl)c(Br)c1	1601636006	SYFUTQCFIJESNZ-UHFFFAOYSA-N	305.515	1.637	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2n[nH]c3c2CCC3)cc1	1602128053	AMPXVWAAXPBSOD-UHFFFAOYSA-N	300.318	1.282	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(OCC(=O)O)c2ccccc12	1603052082	BKSKNLIXPISORH-UHFFFAOYSA-N	317.301	1.476	50	20	DDGD	
COCC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)C1CCCC1	1549322544	ZXOWHKTXYDEDHI-UKRRQHHQSA-N	309.410	1.158	50	20	DDGD	
O=C(NN=Cc1cccc(F)c1F)[C@@H]1CN2CCC[C@H]2CO1	1549320421	ZQILIEPYPXYZCC-AAEUAGOBSA-N	309.316	1.278	50	20	DDGD	
C[C@@H]1OCCC1=NNC(=O)[C@H]1CCCO[C@@H]1c1nccn1C	1549308611	CSDLGBVQRMHGTC-GVXVVHGQSA-N	306.366	1.169	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@@H]2C=NNC(=O)c2cnsn2)cn1	1552919774	LEPGNBOGVHTAHT-BXKDBHETSA-N	320.378	1.155	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)NCC(Cl)Cl	1553146428	ROQGAUSEHXBNPS-GZMMTYOYSA-N	306.193	1.808	50	20	DDGD	
CNNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F	1578745042	QTVADVSRTXRMKL-UHFFFAOYSA-N	301.684	1.723	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H]2C[C@H]3CN[C@@H](C3)C2)cc1	1578252450	AXJRBGFWOZIYTB-AEGPPILISA-N	316.405	1.334	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H](CN)c2ccc(F)cc2)c1	1579832323	COOYQEWHRFLSKW-GFCCVEGCSA-N	321.377	1.699	50	20	DDGD	
C[C@@H]1CCN[C@@H](C(=O)NNC(=O)Cn2ccc3ccccc32)C1	1576743888	CJTRHRPDYJHUPY-TZMCWYRMSA-N	314.389	1.177	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CC[C@H]3CNC[C@H]3C2)c1	1579832871	ZWMLIRSNJDDMRR-QJPTWQEYSA-N	322.434	1.389	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@]12CCCNC2)c1ccc(Cl)cc1O	1580733276	QQTQVZHPTCZRJI-XHDPSFHLSA-N	323.780	1.196	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)NNc1ccc(C(=O)O)c(F)c1	1589072547	IDHDDSNJQQZWTL-ZDUSSCGKSA-N	323.324	1.368	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)C1(C2(O)CNC2)CCC1	1580737669	VEOKPSLJSYAQCJ-UHFFFAOYSA-N	315.295	1.052	50	20	DDGD	
C[C@@H]1CCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)C[C@@H]1C(=O)O	1589337215	SWXXAUYLFBCFDG-XLFIVMGGSA-N	314.341	1.868	50	20	DDGD	
CCC(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1	1841353652	IZBUJDBBCHQSIQ-LLVKDONJSA-N	316.829	1.226	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)[C@H]1CO[C@H](CCC(=O)O)C1	1594310332	NUFKXNQZPQHIML-ZYHUDNBSSA-N	310.325	1.847	50	20	DDGD	
Cc1c(C(=O)O)cc(C=NNC(=O)Cc2ccsc2)n1C	1599984431	JYPZERKAWAOASK-UHFFFAOYSA-N	305.359	1.786	50	20	DDGD	
N#C[C@@]1(C(=O)NNc2ncccc2C(=O)O)C[C@H]2CC[C@H]1C2	1594601780	RBOZELHGUSIGLR-YHAQOWFVSA-N	300.318	1.553	50	20	DDGD	
CCCOC(=O)/C(C#N)=C\c1cc(-c2nn[nH]n2)n(C)c1C	1590639877	OGBNOCMSIQETQI-WDZFZDKYSA-N	300.322	1.374	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2sc(Cl)cc2C(=O)O)cn1	1776044610	DPFLOWPAZDEBRW-UHFFFAOYSA-N	312.738	1.597	50	20	DDGD	
CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](Cl)COC)C2	1795489931	AOSBZUQZZSQSQL-WRWGMCAJSA-N	302.802	1.288	50	20	DDGD	
O=C(CCn1c(=O)oc2cc(Cl)ccc21)NNC(=O)C1CC1	14800784	KTIMXIYNGKERKW-UHFFFAOYSA-N	323.736	1.195	50	20	DDGD	
Cn1cc([N+](=O)[O-])cc1C(=O)NNC(=O)c1ccc(Cl)nc1	16305862	FPWWZJRYBBUUMJ-UHFFFAOYSA-N	323.696	1.057	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C[C@@H]2CCCCO2)cc1	150927258	TZNSERWAEKAHDT-AWEZNQCLSA-N	306.362	1.480	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(C(N)=O)nn1)c1ccc(F)cc1	158994128	ZDBPQPHTOLJGQM-UHFFFAOYSA-N	317.324	1.136	50	20	DDGD	
Cc1cccc([C@H](C)CNC(=O)NNC(=O)c2cnn(C)c2)c1	155445152	PWMGWOQATMHIQP-GFCCVEGCSA-N	315.377	1.476	50	20	DDGD	
COCCC(=O)N1CCC(NC(=O)NNc2ccccc2)CC1	156518497	HLZFLGIHWQSXKC-UHFFFAOYSA-N	320.393	1.340	50	20	DDGD	
CCC[C@H](C(=O)NNc1ccc(C(N)=O)nn1)c1ccccc1	154334208	QZNFVIJNBKCUPN-LBPRGKRZSA-N	313.361	1.603	50	20	DDGD	
COc1ccc(NNC(=O)CNC(=O)c2cccs2)nc1	159050382	LHNQIKFQAUAWDN-UHFFFAOYSA-N	306.347	1.025	50	20	DDGD	
CN1CCN(S(=O)(=O)CCCCl)[C@H](c2ccccc2)C1	36881375	RHEKMPLHYOIYFZ-AWEZNQCLSA-N	316.854	1.934	50	20	DDGD	
C=CCNC(=S)NNC(=O)/C=C\c1ccc2c(c1)OCO2	56658745	IXFCGGQDRNWHPI-XQRVVYSFSA-N	305.359	1.110	50	20	DDGD	
O=C(NNC(=O)C1(O)CCCC1)c1cccc(OC(F)F)c1	103203593	KAEDJORQBCLMHE-UHFFFAOYSA-N	314.288	1.354	50	20	DDGD	
Cc1ccc(F)cc1S(=O)(=O)NNC(=O)c1ccccc1	55549170	CGMRAVWZLZJXRY-UHFFFAOYSA-N	308.334	1.757	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1ccc(C(N)=O)cc1	103306461	JNQBJOPJOWMWKP-UHFFFAOYSA-N	306.366	1.052	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CSCc1ccncc1	58047424	PMTSZDDTXXDMNF-UHFFFAOYSA-N	304.375	1.115	50	20	DDGD	
CC[C@@H](OC)C(=O)NNC(=O)Cc1cccc2ccccc12	67825456	GDCPOKAWEPVUTL-OAHLLOKOSA-N	300.358	1.955	50	20	DDGD	
CCOC(=O)NNC(=O)C[C@@H](NC(C)=O)c1ccc(C)cc1	23241835	YBVREYRBEGDMRX-CYBMUJFWSA-N	307.350	1.340	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccnc2)ccc1-n1cncn1	172924826	ASCCHTSYEAUSTM-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
CCCOCC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	65579987	OJVNBTLYUQBAJU-ZDUSSCGKSA-N	308.378	1.645	50	20	DDGD	
COCc1ccc(C(=O)NNC(=O)NCC(F)(F)F)cc1	60414760	WADIFRALBUGHPB-UHFFFAOYSA-N	305.256	1.339	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC1(c2ccccc2)CCC1	66698463	OWQOAHAGLFNWLO-UHFFFAOYSA-N	305.378	1.475	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H](C)Cc2cccc(F)c2)n1	68855518	DFJLLGOAYDBHCR-SNVBAGLBSA-N	304.325	1.946	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)nn1	123361850	BJBJXGIBSXXKIH-RTXFEEFZSA-N	303.366	1.369	50	20	DDGD	
CCCN(CC)CCNC(=O)NNC(=O)CCc1ccccc1	175768270	GLRZWWQDUSHQCR-UHFFFAOYSA-N	320.437	1.682	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(-c2ccc3c(c2)CCO3)no1	123261232	FWRUJRCZLLCGOO-UHFFFAOYSA-N	316.317	1.240	50	20	DDGD	
COc1cccc(CNC(=O)NNc2cccc(OC)n2)c1	180794395	NGPHZSCGJXIJJD-UHFFFAOYSA-N	302.334	1.925	50	20	DDGD	
COC(=O)Cc1cccc(C(=O)NNC(=O)c2ccc(C)o2)c1	189207225	UEVPHZXXPYCOAI-UHFFFAOYSA-N	316.313	1.378	50	20	DDGD	
CC(C)c1noc(CCC(=O)NNC(=O)c2ccccc2)n1	31548908	XNWGSKDNYVPRRE-UHFFFAOYSA-N	302.334	1.587	50	20	DDGD	
O=S(=O)(NC[C@H](O)C1CC1)c1ccc(CCCl)cc1	71309054	KWUFTETVWLOPPV-ZDUSSCGKSA-N	303.811	1.517	50	20	DDGD	
Cc1cc(=O)n(C)cc1NC(=O)NNC(=O)CC1CCCC1	186417364	MTPGDNPLJRMDHB-UHFFFAOYSA-N	306.366	1.427	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C(C)(Cl)Cl)c1	183437937	TWMIIBAZQNMMNN-UHFFFAOYSA-N	305.161	1.715	50	20	DDGD	
CS[C@@H](C)CC(=O)NNc1cccc(S(C)(=O)=O)c1	181125602	ZDXSQAURJMBXEB-VIFPVBQESA-N	302.421	1.675	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1ccc(C)n1C	78406822	RDDIZTRATWKEOU-UHFFFAOYSA-N	316.361	1.215	50	20	DDGD	
O=C(NCC1(c2ccc(F)cc2)CC1)NNc1cccnn1	77345608	FQRUYDXUXHFERO-UHFFFAOYSA-N	301.325	1.974	50	20	DDGD	
CN(C)N(C(=O)c1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1	76710674	WGQHIMPVYWJYMC-SECBINFHSA-N	318.345	1.071	50	20	DDGD	
COc1ccc(OCCCC(=O)NNc2ncc(F)cn2)cc1	123342331	DKYMRNRMCJFRQX-UHFFFAOYSA-N	320.324	1.927	50	20	DDGD	
O=C(CC(=O)NNc1cc(Cl)ccn1)NCC(F)(F)F	182190046	IUSOAJWOZALBCF-UHFFFAOYSA-N	310.663	1.247	50	20	DDGD	
C[C@@]1(CCc2ccccc2)NC(=O)N(NC=C(C#N)C#N)C1=O	78608561	OXBBIXPOXJIUNS-INIZCTEOSA-N	309.329	1.365	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(F)cc2F)o1	129683423	ITUONWQHAHNWPR-UHFFFAOYSA-N	323.255	1.266	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)Cc2cc(C)[nH]n2)cc1	121052529	JDTJPKPBJVGVNT-UHFFFAOYSA-N	302.334	1.121	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccc(F)cc2)c(C)n1	181388872	VJVUOFHDDMQQOQ-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
COC[C@H]1CN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CCO1	183329197	SOGWBQGNNWBFHF-JEMSNHSXSA-N	304.321	1.606	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2ccccc2[N+](=O)[O-])CCC1	131305260	HIRMOEATBPBWJP-UHFFFAOYSA-N	307.306	1.771	50	20	DDGD	
CCOC(=O)N1CCC[C@@H](C(=O)NNC(=O)C2CCCC2)C1	47451985	CGQLXNFSFLGZKN-GFCCVEGCSA-N	311.382	1.193	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[C@@H]1CCO	188470203	GZEVJTOQZBDBID-ZWNOBZJWSA-N	308.338	1.772	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccnn1Cc1ccccn1	183412722	OCELVNIEZBIWBQ-NSHDSACASA-N	316.365	1.525	50	20	DDGD	
C=CCOc1ccccc1C(=O)NNC(=O)NCCCOC	139590220	YKGWPEAWQIEABJ-UHFFFAOYSA-N	307.350	1.232	50	20	DDGD	
CC1=C(C(=O)NNc2ccc(F)cc2)[C@H](C)n2ncnc2N1C	192146051	NYQBBADCIDBAFF-JTQLQIEISA-N	316.340	1.845	50	20	DDGD	
Cc1ccc(-c2nc(CC(=O)NNC(=O)C(C)(C)O)cs2)o1	190050548	ZLLBZJPVBICWKD-UHFFFAOYSA-N	323.374	1.172	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccn2C)nc2ccccc12	192900813	PRRSYIAAPVJCDU-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCCc2nnc[nH]2)cc1	132070388	ZXQUAHCTTKMZMO-LCYFTJDESA-N	311.345	1.469	50	20	DDGD	
CN(C)C(=O)NNS(=O)(=O)c1c(Cl)cccc1Cl	194856664	ZRHDQNDGIYCQJP-UHFFFAOYSA-N	312.178	1.458	50	20	DDGD	
Cc1ccnc(NNC(=O)c2cnc3sccn3c2=O)c1	88424186	QWTBMDCDYMVBBQ-UHFFFAOYSA-N	301.331	1.216	50	20	DDGD	
O=C(NNC(=O)c1ccco1)c1cc(-c2cccs2)n[nH]1	193090885	OALWEGYIXUDZQD-UHFFFAOYSA-N	302.315	1.806	50	20	DDGD	
CC(C)CCC[C@@H](C)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	42930098	BXKYIJRTJLZWJE-OCCSQVGLSA-N	319.471	1.582	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)s1	195486478	GJDOPZZDIRACHT-UHFFFAOYSA-N	323.761	1.575	50	20	DDGD	
CCn1c(NNC(=O)C2(SC)CC2)nc2ccccc2c1=O	190062339	MLTHOYPHYGKYNB-UHFFFAOYSA-N	318.402	1.755	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)c(O)c1	245201792	MFCSJHUMYZCVBP-UPJWGTAASA-N	319.405	1.723	50	20	DDGD	
C[C@]1(CCCC(=O)NNc2ccc(Cl)cc2)NC(=O)NC1=O	269671900	XKDFCFCXMAXOEJ-CQSZACIVSA-N	324.768	1.552	50	20	DDGD	
CCSc1ccc(CC(=O)NNC(=O)C(=O)NC(C)C)cc1	269700883	MCRIEWTZMFACPG-UHFFFAOYSA-N	323.418	1.013	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H](C)NC(=O)C(C)(C)C)n1	267099218	OFSBXBGHUFUDAE-SSDOTTSWSA-N	313.789	1.432	50	20	DDGD	
O=S(=O)(CBr)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1	368086105	VXTVMDIVGOHXFS-VHSXEESVSA-N	324.240	1.702	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cc2c(C)n[nH]c2C)c1	276381750	QOGKZOIWNGRVLH-UHFFFAOYSA-N	302.334	1.499	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)[C@@H]1C[C@H]2CC[C@H]1O2	276399225	GQMVBPUIIKIJGH-FXPVBKGRSA-N	317.374	1.611	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H](CC)c1ccccc1)C(=O)OC	277334241	VRTZUHBWPNRBDU-CHWSQXEVSA-N	306.362	1.527	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1c(C)cc(C)cc1C	276255957	RKZQFMBZXYFHSL-UHFFFAOYSA-N	306.366	1.243	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C1CC(=O)C1	278627268	XKWIDNKMXASQFY-QMMMGPOBSA-N	310.737	1.234	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@]2(C)CCCOC2)c1	272612118	HULVGIHYCHFYJH-QGZVFWFLSA-N	320.389	1.646	50	20	DDGD	
CC(C)(C)Oc1cccc(CCC(=O)NNC(=O)C(C)(C)O)n1	278021125	SWNKQIKKONGVPT-UHFFFAOYSA-N	323.393	1.110	50	20	DDGD	
COc1ccccc1NC(=O)C(=O)NNC(=O)CC1CCCC1	274020009	ABAXKBPNOKUVCG-UHFFFAOYSA-N	319.361	1.361	50	20	DDGD	
COC(=O)NNC(=O)[C@H]1C[C@]12CCN(C(=O)OC(C)(C)C)C2	372899949	BKKSZIUIEXRECA-OTYXRUKQSA-N	313.354	1.021	50	20	DDGD	
CN(C)C(=O)C1(CNC(=O)NNc2ncccc2F)CCCC1	286890645	ZZEIKOUGFZGYPU-UHFFFAOYSA-N	323.372	1.495	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H]1C(=O)NNc1cccc([N+](=O)[O-])c1C	285716912	JBAKGSCEXYNGEB-NXEZZACHSA-N	307.306	1.546	50	20	DDGD	
CC(C)(C)OC(=O)NC(C)(C)C(=O)NNc1cccc(F)n1	286654045	UVGYXNWYZCAWEJ-UHFFFAOYSA-N	312.345	1.967	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNC(=O)c1cccc2ncccc12	294588754	LGNKJYSFHJUHHD-CYBMUJFWSA-N	319.386	1.110	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)c1ccccc1	297716977	YMANMAIPTSQAIX-UBHSHLNASA-N	321.377	1.272	50	20	DDGD	
COc1ccc(C=NNC(=O)CN2CCCC2=O)c(C)c1OC	807956409	QNLXDJZMSFNZLI-UHFFFAOYSA-N	319.361	1.085	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCc1cncn1C)c1ccccc1	291833770	ITQJWUUXJXTJHQ-CQSZACIVSA-N	315.377	1.444	50	20	DDGD	
C[C@@H](C(=O)NNc1ncccn1)N(C(=O)OC(C)(C)C)C1CC1	294349508	IBKCZYDNQQKGDQ-JTQLQIEISA-N	321.381	1.708	50	20	DDGD	
CCOc1ccccc1NC(=O)NNC(=O)[C@@H]1CCCCO1	297373601	FUMCUMUNFIFXIM-ZDUSSCGKSA-N	307.350	1.807	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@H]1CCN(c2ccccc2)C1	298702103	YQLUZNKTKPJKNH-AWEZNQCLSA-N	318.421	1.889	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)CCc2cccc(F)c2F)O1	294305117	REKWHRFAIITOAB-CABZTGNLSA-N	312.316	1.612	50	20	DDGD	
C[C@@H](Cc1cnc2ccccc2n1)C(=O)NNC(=O)N(C)C	293027679	RFZLEDUKQKRAGC-JTQLQIEISA-N	301.350	1.111	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)N[C@@H]1CCCc2ccccc21	297422368	RVHRKZPRZXFFGM-HUUCEWRRSA-N	317.389	1.964	50	20	DDGD	
Cc1ccccc1[C@@H](NC(=O)NNC(=O)[C@@H]1CCCO1)C1CC1	291632900	BRTWKUCQVKXSKV-GJZGRUSLSA-N	317.389	1.956	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)N1CCOCC1)c1ccc(F)cc1	299335718	DCAOQCNAIWMDTM-LLVKDONJSA-N	309.341	1.392	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)O1	802101307	JQVDCCPVENMJDL-PWSUYJOCSA-N	321.333	1.526	50	20	DDGD	
Cc1ccc(O)cc1C(=O)NNC(=O)c1cccc(N(C)C)c1	816806491	DJJALEPSQAONCV-UHFFFAOYSA-N	313.357	1.841	50	20	DDGD	
Cc1cccc(-c2nc(CC(=O)NNc3nc[nH]n3)cs2)c1	816631158	IBKBUESAUPCKOP-UHFFFAOYSA-N	314.374	1.922	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cc3ccccc3o2)n1	810482614	HOGUPSOUFWARAT-UHFFFAOYSA-N	306.281	1.774	50	20	DDGD	
CCO[C@@H]1COCC[C@H]1NC(=O)NNc1cccc(Cl)n1	814320501	TVFFNKDBASBRMW-NXEZZACHSA-N	314.773	1.555	50	20	DDGD	
COc1cc(C(C)=NNC(=O)COc2cccc(C)c2)on1	814716161	ASXHMTWRLXYYSQ-UHFFFAOYSA-N	303.318	1.911	50	20	DDGD	
COc1ccc(COCCCC(=O)NNc2cnnn2C)cc1	816769412	GYDFIAVVOQOVMI-UHFFFAOYSA-N	319.365	1.264	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@](C)(O)c2ccc(Cl)cc2)n[nH]1	815886860	LCRDNRUQLBCVSW-CQSZACIVSA-N	322.752	1.040	50	20	DDGD	
CC(C)COc1cccc(OCC(=O)NNc2nc[nH]n2)c1	816631979	NYEJWXIHNXGBGF-UHFFFAOYSA-N	305.338	1.362	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCc1ccc(C(=O)O)cc1	819135110	DWTRHBCETPKFCX-UHFFFAOYSA-N	319.239	1.168	50	20	DDGD	
O=C(NNc1ncccc1Cl)c1nnc2ccccc2n1	810406014	STXSMUHPXXBQPT-UHFFFAOYSA-N	300.709	1.830	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(CN(C)C(=O)C(C)C)cc1	816561527	AXXLKOIELOIXSI-UHFFFAOYSA-N	321.421	1.524	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@H](C)CN2CCOCC2)cc1C	812440913	LAOPSYMJAMYSHK-CQSZACIVSA-N	319.405	1.422	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NN=C1CCN(CCO)CC1	819805529	YAGWPIYFNWKWDU-LBPRGKRZSA-N	323.368	1.153	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNC(=O)C(C)(C)C)(CC1)CC2	814515515	LQLWKBZNSPGZSP-UHFFFAOYSA-N	310.394	1.694	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCc2nn[nH]c21)c1cccc(Cl)c1	816807038	UYISEBNYOJEGPD-JTQLQIEISA-N	319.752	1.339	50	20	DDGD	
O=C(NN=Cc1nccs1)c1csc(N2CCOCC2)n1	814751308	KZOXTRQPBZJABI-UHFFFAOYSA-N	323.403	1.200	50	20	DDGD	
Cc1noc([C@@H](C)NC(=O)NNC(=O)c2ccccc2C)n1	726279422	OFBHZDZLFDPHDQ-SECBINFHSA-N	303.322	1.392	50	20	DDGD	
O=C(O)COc1ccccc1C=NNC(=O)[C@H]1CCCS1	819828223	VLSNZHSMTKLYQK-GFCCVEGCSA-N	308.359	1.496	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1cc2n(n1)CCCC2	825776169	CRGKQBGOUQMFEQ-UHFFFAOYSA-N	316.336	1.362	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)CCc1ccsc1	726077455	WOCUCSHXKUVCKB-UHFFFAOYSA-N	315.464	1.555	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC(C(=O)NN=Cc2ncc[nH]2)CC1	491508784	DJUXHVOLEMGZII-UHFFFAOYSA-N	321.381	1.507	50	20	DDGD	
Cc1ccc(C=NNC(=O)CCNC(=O)OC(C)(C)C)nc1	495086812	MMLZJVJEBLVLDY-UHFFFAOYSA-N	306.366	1.755	50	20	DDGD	
C=CCC[C@@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)OCC	491160430	LGWYKDKJINXHGZ-MAUPQMMJSA-N	316.361	1.341	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC1CCN(C(=O)c2ccco2)CC1	490783223	OCNQZWCXLDSTHR-VAWYXSNFSA-N	317.345	1.444	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cccc(C(=O)O)c1)C1CC1	820136383	RNZBMYVWWQNNGH-QMMMGPOBSA-N	307.375	1.292	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc(Cl)o1	826448994	WYNIRLAEJDNYTM-UHFFFAOYSA-N	304.697	1.870	50	20	DDGD	
CCN1C[C@H](NC(=O)/C(C#N)=C/c2ccc(F)cc2)CC1=O	490977725	URDBDURAHQQYAX-WEKMIXOTSA-N	301.321	1.470	50	20	DDGD	
C/C=C(/C=C\C(=O)NNc1nc(O)c2cnn(C)c2n1)CC	492217027	HTDVTOFITDQLNY-WSISTYIOSA-N	302.338	1.425	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@@H](C(=O)OC(C)(C)C)C1CCCC1	823913337	RXPICGXBXXKREP-YPMHNXCESA-N	314.426	1.478	50	20	DDGD	
O=C(/C=C\C1CCOCC1)NNc1cccc(-c2nn[nH]n2)c1	826400042	NOSQDEUKYVAPLQ-PLNGDYQASA-N	314.349	1.293	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cccc(C#N)c1)c1cccnc1	729043770	YFBOEMMVQRSUDJ-LLVKDONJSA-N	309.329	1.658	50	20	DDGD	
CC[C@H](NC(=O)NNc1cccc(S(C)(=O)=O)c1)C1CC1	822567573	PQQOSWSTZAGHRG-ZDUSSCGKSA-N	311.407	1.905	50	20	DDGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)C(N)=O)c(C)n1CC(C)C	490812672	LYSMUKLUXKYJAG-QNKXHIPISA-N	316.405	1.658	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCC2CC(O)C2)cc(C#N)n1C	491177366	WEFWCHWAIXKKKL-VGOFMYFVSA-N	312.373	1.389	50	20	DDGD	
O=C(CSC1CC1)NNC(=O)Cc1c[nH]c2ccccc12	822204879	FJNNACGAGKGWQO-UHFFFAOYSA-N	303.387	1.753	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccc(N2CCOC2=O)c1	490809144	SSYNGHCRGGXGBY-UHFFFAOYSA-N	320.349	1.387	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cccc(OC[C@H]2CCCO2)c1	823976486	DYFQPESEYKWWRA-IUODEOHRSA-N	308.378	1.202	50	20	DDGD	
CC(C)(C)OC(=O)NC(C)(C)c1cc(C=NNC(N)=O)on1	496882797	KURQVHKHYWXKLG-UHFFFAOYSA-N	311.342	1.437	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@H]1CCCC1(C)C	495472803	MAGBLDXDDINCDF-SNVBAGLBSA-N	313.398	1.485	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNc2nc(C)cc(C)n2)cc1O	492485317	DDDKIUMYXFOYOH-ALCCZGGFSA-N	314.345	1.964	50	20	DDGD	
O=C(NNc1cccc(F)c1F)c1ccc(-c2nn[nH]n2)cn1	823281740	XSESOAVCNGAOHU-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1nnc(CC(F)(F)F)s1	494554688	MAKGLQWSQIRQDD-UHFFFAOYSA-N	313.261	1.426	50	20	DDGD	
CCc1ccc(N(CC2CC2)C(=O)c2ccc(B(O)O)cc2)cc1	584997872	MKUBQLPBHIDRIY-UHFFFAOYSA-N	323.201	1.986	50	20	DDGD	
OB(O)c1ccc(CNc2ccc3c(c2)[C@H](O)CCCC3)cc1	585046699	BFEWMEGENVAELS-GOSISDBHSA-N	311.190	1.738	50	20	DDGD	
OB(O)c1ccc(CN[C@H](c2ccc(F)cc2)[C@H]2CCCO2)o1	585019105	BSCCLRIWVZYWFM-GDBMZVCRSA-N	319.141	1.108	50	20	DDGD	
COC(=O)N(C)NC(=O)c1c[nH]c2c(C)cc(F)cc2c1=O	495632211	AOSDUAKYEKXJSX-UHFFFAOYSA-N	307.281	1.319	50	20	DDGD	
CN1CC[C@@](Cc2ccccc2)(C(=O)N2CC=C(C#N)CC2)C1=O	821435914	FFAKLKWEWHGDBM-IBGZPJMESA-N	323.396	1.760	50	20	DDGD	
CCN(Cc1occc1C)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	827259567	KQKIKTILEQCNPL-RYUDHWBXSA-N	309.366	1.576	50	20	DDGD	
O=C(C[C@H]1C=CCC1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	826403899	HKHOEVQERGHITO-QMMMGPOBSA-N	319.756	1.715	50	20	DDGD	
Cc1cc(C)c(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(C)c1	825807328	BSRDWUYSAXMWQR-ZIAGYGMSSA-N	319.405	1.867	50	20	DDGD	
O=C(O)COc1cccc(C=NNC(=O)NCC(F)(F)F)c1	733203352	FLRNWSBOJXUTIX-UHFFFAOYSA-N	319.239	1.345	50	20	DDGD	
O=C(CCCn1ccccc1=O)NNC(=O)c1ccccc1F	734990219	DKJGXFZJZRFPEH-UHFFFAOYSA-N	317.320	1.229	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H]2Br)CCS(=O)(=O)C1	907752733	IMPLMWHCIIEERA-WCABBAIRSA-N	324.240	1.053	50	20	DDGD	
CC[C@@H](NS(=O)(=O)CCl)C(=O)NCc1cccs1	828053767	AZBOUBKRJVIBTE-SECBINFHSA-N	310.828	1.259	50	20	DDGD	
O=C(NN=Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1	730578894	WAZWFIZHYWVQRZ-SNVBAGLBSA-N	300.767	1.225	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@@](C)(O)C(C)C)cc(C#N)n1C	490662571	BRRFMSJGECPHCE-VNOAQLAMSA-N	314.389	1.635	50	20	DDGD	
C[C@]1(C(=O)NCc2nc(C3CC3)no2)C[C@H]1Br	906334909	XHAKYZGAUAKTPL-HQJQHLMTSA-N	300.156	1.737	50	20	DDGD	
CCCN(NC(=O)CCN1CCOC1=O)C(=O)OC(C)(C)C	496730263	KCOKGPGQEQUNIA-UHFFFAOYSA-N	315.370	1.507	50	20	DDGD	
C#CCN1CCC(C(=O)NNc2cnnc3ccccc23)CC1	490652381	WFDHBVCDYLAKSZ-UHFFFAOYSA-N	309.373	1.418	50	20	DDGD	
CSc1cccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n1	831803283	MJTSWVXBDZHYQD-BDAKNGLRSA-N	310.379	1.381	50	20	DDGD	
OB(O)c1cccc(CN[C@H]2CCC[C@H]2Oc2ccccc2)c1	585024270	WAASZTPKYCAYIU-ZWKOTPCHSA-N	311.190	1.456	50	20	DDGD	
COC12CC3C[C@@H](C1)C(NCc1ccc(B(O)O)cc1)[C@@H](C3)C2	585040920	BGAZFNNSPJETLG-KGYFKUTRSA-N	315.222	1.050	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1ccc([N+](=O)[O-])[nH]1	732067198	CJVPCRTWKIXILJ-UHFFFAOYSA-N	315.249	1.125	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)NCCc1cccs1	732528814	ZRIOYZZVTBSVCR-UHFFFAOYSA-N	303.409	1.010	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cccc(CN2CCOCC2)c1	732140819	LETNRGJXWQHSNR-UHFFFAOYSA-N	317.389	1.080	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccnc(N2CCCCC2)n1	739689884	NHXJRNYHRACJRH-UHFFFAOYSA-N	305.382	1.274	50	20	DDGD	
CCS(=O)(=O)c1ccc(F)c(C(=O)NNc2ncccn2)c1	733888074	KDVZFLORTLJXMU-UHFFFAOYSA-N	324.337	1.166	50	20	DDGD	
O=C(N1CC[C@@H](B(O)O)C1)C1(c2ccccc2Cl)CCC1	585063486	AOPNESIZNSBKJC-LLVKDONJSA-N	307.586	1.837	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2SCCS2)c1F	837060444	CTZCNQNJPWPVGF-UHFFFAOYSA-N	316.379	1.862	50	20	DDGD	
CC(=O)N1CCC[C@H]1C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	736134160	GIDRGXLSXWZOCU-LBPRGKRZSA-N	322.273	1.209	50	20	DDGD	
O=C(NNc1ccc(Br)nc1)[C@@H]1CCCOC1	732836558	KFVNVORQSACUNF-MRVPVSSYSA-N	300.156	1.714	50	20	DDGD	
O=C(NC[C@H]1CCCCC1(F)F)NNC(=O)[C@@H]1CCCCO1	836523549	KQPOJOBQNMMQKG-MNOVXSKESA-N	319.352	1.711	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccccc1OC1CCC1	735654466	MNIOWAMVFHBKIG-UHFFFAOYSA-N	303.362	1.972	50	20	DDGD	
C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccc(B(O)O)cc1	584954810	LMJOZGCQMOMVHE-RHSMWYFYSA-N	323.201	1.460	50	20	DDGD	
O=C(c1ccc(OC2CCC2)cc1Cl)N1CC[C@@H](B(O)O)C1	585067528	XQWCAWCAURVBHY-SNVBAGLBSA-N	323.585	1.960	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccc(N(C)C)c1)c1cnccn1	905302542	JBGLNSFIGGNTKG-LLVKDONJSA-N	313.361	1.107	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cc(O)cc(Cl)c1	901195643	WGZGDFASCFNKCQ-SECBINFHSA-N	300.742	1.547	50	20	DDGD	
C[C@H]1CCC[C@H]([C@H](C)NC(=O)NNC(=O)c2cnn(C)c2)C1	836671593	YGYWMIGMFNUBEE-SRVKXCTJSA-N	307.398	1.579	50	20	DDGD	
CCc1cc(NNC(=O)[C@H](CC)OC)nc(-c2ccccn2)n1	738531302	XKSKWCWXAIBSOH-ZDUSSCGKSA-N	315.377	1.969	50	20	DDGD	
C[C@H](CN([C@@H](C)CO)S(=O)(=O)CCl)c1ccccc1	831544236	VSOPTVZXZIVXQE-NEPJUHHUSA-N	305.827	1.999	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCCO1)c1cccc(-n2cnnn2)c1	834987692	AFNPCXDEDBZTLF-CQSZACIVSA-N	314.349	1.072	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	915263094	NPNRPYXAXFHGCZ-LLVKDONJSA-N	319.405	1.660	50	20	DDGD	
Cc1csc(CCNC(=O)NNc2ccc(Cl)nn2)n1	916573641	WSOJNOWWTMDILH-UHFFFAOYSA-N	312.786	1.764	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@H]2CCCOC2)c1F	837061394	KVZICMVLWADNPN-SNVBAGLBSA-N	310.325	1.872	50	20	DDGD	
CCOc1cccc(C=NNC(=O)Cn2nc(C)cc2C)c1O	916342960	GBFDNRYGWCVENH-UHFFFAOYSA-N	316.361	1.755	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc2[nH]ccc2c1	831400487	HGDJAUQALUZYDI-SKDRFNHKSA-N	302.334	1.746	50	20	DDGD	
COc1ccnc(NNC(=O)Cn2nc(C)c(Cl)c2C)n1	918321794	PRNVYLWHJXFTSR-UHFFFAOYSA-N	310.745	1.095	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)CN1CCc2ccccc21	749848397	MAOZPTBENIRYQQ-UHFFFAOYSA-N	323.396	1.829	50	20	DDGD	
CCNC(=O)CCC(=O)NNC(=O)c1cc2ccccc2o1	749472986	ZDQUCAQFUIQGKP-UHFFFAOYSA-N	303.318	1.110	50	20	DDGD	
CC[C@@H]1CN(C)CCCN1C(=O)/C(C#N)=C\c1cnn(C)c1	846990223	XOUFNAKOQHEUEO-CKNOQMABSA-N	301.394	1.270	50	20	DDGD	
C[C@@H](CN)NC(=O)NNC(=O)Cc1cccc2ccccc12	841982252	LOZCRWMTPCZCKI-NSHDSACASA-N	300.362	1.060	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H](CC(C)C)C(N)=O	840445103	LIDRPTKTCLVEFP-NSHDSACASA-N	306.366	1.295	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC[C@H]2CCNC2)c1F	841936143	PMWMWVJCYKQGAF-SNVBAGLBSA-N	324.356	1.238	50	20	DDGD	
N[C@@H]1CCC[C@@H](NC(=O)NNC(=O)CCc2ccccc2)C1	841981375	ALNRZTPRELGDEZ-ZIAGYGMSSA-N	304.394	1.220	50	20	DDGD	
CCc1cc(Br)ccc1NNC(=O)NCCN	841921216	PFGAKWPODPBNAJ-UHFFFAOYSA-N	301.188	1.596	50	20	DDGD	
N#CSCCCNS(=O)(=O)CCOCc1ccccc1	916992126	FVAGIOJVESKMHX-UHFFFAOYSA-N	314.432	1.727	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1	846376549	AKQHPBUEWMBCKE-IACUBPJLSA-N	316.357	1.460	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ncc(C)o1	841643306	AALHYXZGBOHUCA-LLVKDONJSA-N	320.349	1.350	50	20	DDGD	
COCCOc1cccc(C=NNC(=O)NCC(F)(F)F)c1	917550620	IXULRNLOUQLDJV-UHFFFAOYSA-N	319.283	1.907	50	20	DDGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1ncccn1	743409119	CMXKLCKEWSXYTH-UHFFFAOYSA-N	316.708	1.937	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)Nc2ccc(OC)cc2)[C@H]1OC	841640915	RJLBKLULCOGVAN-ZIAGYGMSSA-N	307.350	1.997	50	20	DDGD	
CC(C)[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)CCS1	744423697	NXQKSEDAQIMQDH-NSHDSACASA-N	301.456	1.253	50	20	DDGD	
CC(=O)c1cc(NC(=O)NNC(=O)[C@H]2CCCCO2)ccc1C	847222986	KDMWWTYCZCUUAN-CQSZACIVSA-N	319.361	1.919	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccc3c(c2)CNCC3)o1	841304187	OEPKGLCNRYZOKU-UHFFFAOYSA-N	314.345	1.700	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=C1CN2CCC1CC2	915048944	XLFTYAUHXRTNOM-UHFFFAOYSA-N	301.390	1.826	50	20	DDGD	
Nc1ccc2c(c1)CCC[C@@H]2NC(=O)NNC(=O)C1CCC1	841977180	AQSSGLQLTMNCPZ-AWEZNQCLSA-N	302.378	1.777	50	20	DDGD	
COC1(C(=O)NN=C2CCCN3CCCC[C@@H]23)CCOCC1	848411334	OCPUXRJXEJFUSP-AWEZNQCLSA-N	309.410	1.303	50	20	DDGD	
CCc1ccc(C(C)=NNC(=O)Cc2cc(O)nc(O)n2)s1	743447081	BNVCQKLKHMSZQP-UHFFFAOYSA-N	320.374	1.595	50	20	DDGD	
CCC(CC)[C@H](CCNC(=O)NNC(=O)c1ccc[nH]1)OC	747456523	MBRKUCXHRZBKPM-ZDUSSCGKSA-N	310.398	1.800	50	20	DDGD	
O=C(NC[C@H]1CCCNC1=O)NNc1c(F)cc(F)cc1F	922860033	BEAAQJVVKJYXHH-SSDOTTSWSA-N	316.283	1.256	50	20	DDGD	
Cc1cc(N(C)C)ccc1C=NNC(=O)CN1CCCC1=O	841614920	SZTJXIONRQIDTI-UHFFFAOYSA-N	302.378	1.134	50	20	DDGD	
CC(C)(C)CN(CC(=O)O)S(=O)(=O)CBr	849220842	HQHGEFUIRFFNBM-UHFFFAOYSA-N	302.190	1.101	50	20	DDGD	
Cc1cc(NNC(=O)NC[C@H](C)S(C)(=O)=O)ccc1Cl	921636646	PMOGHHONKMLRRI-VIFPVBQESA-N	319.814	1.708	50	20	DDGD	
O=C(CCOc1cccc(F)c1)NNC(=O)OCC(F)(F)F	856025550	SYLULFGIFAUGGT-UHFFFAOYSA-N	324.230	1.914	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cccc(N2CCCCCC2)c1	756710311	BAWIINDTWFLFPG-UHFFFAOYSA-N	320.393	1.866	50	20	DDGD	
COCCN(C)CCNC(=O)NC[C@]1(C)C[C@@H]1Br	856830546	PCESHDPETIHCLA-JQWIXIFHSA-N	322.247	1.037	50	20	DDGD	
CC[C@@]1(C)CCN(CC(=O)NNC(=O)c2ccc(C)cc2)C1	758747764	LIUIMYWGDJEICK-KRWDZBQOSA-N	303.406	1.878	50	20	DDGD	
CNC[C@@H]1CCCN(C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	857105208	GKDTXHWANNDJBC-GMXVVIOVSA-N	318.259	1.801	50	20	DDGD	
Cc1nnccc1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	752994095	NWHDYTRLZKKVMI-JTQLQIEISA-N	318.308	1.153	50	20	DDGD	
C[C@H](CCN(C)C)NC(=O)NNc1ccc([N+](=O)[O-])cc1F	853543268	RYQGJQXMMJPUJW-SECBINFHSA-N	313.333	1.700	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)[C@@H](O)C2CC2)c1	854378077	FRWYXTBQOCTYQB-NSHDSACASA-N	313.741	1.272	50	20	DDGD	
C[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)C1CCCC1	750470296	CJZCCWBBLIBADG-LBPRGKRZSA-N	318.373	1.817	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)C1CC2(CC2)C1	854606679	MCVVPJOZGYGRQM-UHFFFAOYSA-N	323.418	1.570	50	20	DDGD	
C[C@H](NC(=O)NNc1c(F)cc(F)cc1F)c1ncnn1C	922157381	SUNSWHNCJPOLPZ-LURJTMIESA-N	314.271	1.620	50	20	DDGD	
CC(C)N1CC(=NNC(=O)CNC(=O)c2cccs2)[C@@H](C)C1	754262064	YJEIGQBPNJMVRW-NSHDSACASA-N	322.434	1.310	50	20	DDGD	
C[C@H]1CC/C(=C\C(=O)OCC(=O)NNC(=O)c2cccs2)C1	754184130	CZLXDOHNCSDNOC-NGPGYTDTSA-N	322.386	1.799	50	20	DDGD	
CCNC(=O)NNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1	751534690	OKWHHZNEEXMSGX-SNVBAGLBSA-N	314.386	1.030	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1ccc(F)cn1	752232451	APIJMXLCPBHSDN-UHFFFAOYSA-N	300.253	1.423	50	20	DDGD	
C=C(C)[C@@H](CC(=O)NNC(=O)c1cccc(Cl)n1)OCC	857323789	YTTFUGCKUCFRPL-LLVKDONJSA-N	311.769	1.867	50	20	DDGD	
C[C@@H]1CN(C)C(=O)CN1C(=O)NC[C@@]1(C)C[C@H]1Br	856902154	DPDKWQQFIJNPOI-KBVBSXBZSA-N	318.215	1.032	50	20	DDGD	
C[C@@H]1CC/C(=C/C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)C1	855831776	GWDONJYEZYSCNT-NPRUJURCSA-N	323.437	1.823	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@@]2(C)C[C@H]2Br)CCOC1	856833515	OMEZNCRVNPPECE-YUSALJHKSA-N	305.216	1.886	50	20	DDGD	
Cn1cc(C#N)c(NC(=O)NNC(=O)c2c[nH]c3ccccc23)n1	756864969	BPEPPCVGWXNYIP-UHFFFAOYSA-N	323.316	1.240	50	20	DDGD	
Cc1ccccc1C[C@H](C)C(=O)NNC(=O)c1cnn(C)c1	859447162	LJZUNAQINHSPMI-LBPRGKRZSA-N	300.362	1.368	50	20	DDGD	
COCC(=NNC(=O)c1cc(OC)c(OC)c(OC)c1)C1CC1	754253795	FXHSHXVUXAPVRT-UHFFFAOYSA-N	322.361	1.855	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCOC(=O)N(C)C	855649058	GYVYIJHEFYNFLI-UHFFFAOYSA-N	316.789	1.167	50	20	DDGD	
CCNC(=O)NNC(=O)c1cccc(Br)c1F	757876644	IEZMGKIFOVQZCJ-UHFFFAOYSA-N	304.119	1.552	50	20	DDGD	
CC(C)CN1N=C(C(=O)NNc2ncc(Cl)cn2)CCC1=O	857357367	PVVPWHIHORQHCL-UHFFFAOYSA-N	324.772	1.208	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1F	855621105	KFBXAVMZYUHLJT-CYBMUJFWSA-N	324.312	1.578	50	20	DDGD	
COC1(C(=O)NNc2nc(-c3ccncc3)no2)CCCC1	754206686	IUWBVIRAGRYAAO-UHFFFAOYSA-N	303.322	1.534	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CCO[C@@H](C(C)C)C2)nc1	935108456	VGNVQPKWVZDKPX-DGCLKSJQSA-N	321.377	1.763	50	20	DDGD	
CO[C@H](C)CNC(=O)NNC(=O)c1cccc(OC(F)F)c1	852056571	LVMDAZMHXILFNB-MRVPVSSYSA-N	317.292	1.267	50	20	DDGD	
CCc1c(C(=O)NNc2cnnn2C)cnn1C1CCCC1	857272434	AIQFRBGVSWTVQP-UHFFFAOYSA-N	303.370	1.446	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@H]1COCCN1CC(F)F	855368928	BTZPZXDSKUFUJR-GFCCVEGCSA-N	317.311	1.543	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2ccnn2CC2CC2)n1	853283940	INLXXIGNZIYCFC-UHFFFAOYSA-N	303.391	1.751	50	20	DDGD	
Cc1c(CC(=O)NC[C@]2(C)C[C@H]2Br)cnn1C	857387623	KNANGGIIEVVLSC-PWSUYJOCSA-N	300.200	1.561	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)CC(F)(F)F)OCO2	758873470	HHVABDLDDLQSLM-UHFFFAOYSA-N	304.224	1.826	50	20	DDGD	
Cc1cc(C=NNC(=O)c2cn[nH]c2)c(C)n1C[C@@H]1CCCO1	863156277	UGMGBYNMUPPIOK-HNNXBMFYSA-N	315.377	1.771	50	20	DDGD	
O=S(=O)(CBr)N1CCC(c2ncco2)CC1	867596801	FQZRXDWWRWBCGN-UHFFFAOYSA-N	309.185	1.536	50	20	DDGD	
CCC(C)(C)N[C@H](C)C(=O)NNCC(F)(F)C(F)(F)F	863100371	QMYJNVIDXAWHIS-SSDOTTSWSA-N	305.291	1.972	50	20	DDGD	
CCC(=NNC(=O)CS(C)(=O)=O)c1ccc(Cl)cc1	863188530	GDQDONITEDBEDD-UHFFFAOYSA-N	302.783	1.615	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=CCCC1CCOCC1	764908035	HXMSFRWOYNIUQO-UHFFFAOYSA-N	318.377	1.120	50	20	DDGD	
C[C@@H](NNC(=O)c1cn(C)c(=O)c2ccccc12)C(F)(F)F	862317705	LTXYQALJOZRIKW-MRVPVSSYSA-N	313.279	1.724	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)c1cnn(CC2CC2)c1	864445952	VOLIRTRFSLRWBG-UHFFFAOYSA-N	302.309	1.507	50	20	DDGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCN2C(=O)CC[C@H]2C1	766267835	AJHNLRMXHUXJHU-UUINEXAVSA-N	312.329	1.766	50	20	DDGD	
COCc1ccc(C=NNC(=O)c2ccnc(N(C)C)c2)o1	764693302	XLYVGAAJVLWHSQ-UHFFFAOYSA-N	302.334	1.651	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H]1CCCC(F)(F)[C@H]1O	867407118	NIUOTHCCDOMHGF-BDAKNGLRSA-N	319.801	1.720	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H]2CCCN(c3ccccc3)C2=O)cc[nH]1	862514099	QGJWYLVRIPXWEE-INIZCTEOSA-N	324.384	1.698	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc[nH]1	862514824	YGQDYKQTVSEQRE-MRXNPFEDSA-N	318.377	1.517	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NN=C[C@@H]2CCCO[C@H]2c2ccnn2C)O1	863170225	VKJXDPIEWSOLDL-AYRXBEOTSA-N	320.393	1.557	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NC[C@H](N)c1ccccc1	866737444	FPURZZQOIJICQH-LBPRGKRZSA-N	304.843	1.871	50	20	DDGD	
Cc1nn(CC(=O)OC(C)C)c(C)c1C=NNC(=O)C(C)C	768350192	RUBNZGWGFINIQP-UHFFFAOYSA-N	308.382	1.558	50	20	DDGD	
O=C(NN=CC[C@H]1CCOC1)C1CCN(c2ncccn2)CC1	765574513	AHEZDUIJDVUGHC-ZDUSSCGKSA-N	317.393	1.222	50	20	DDGD	
CC(C)(C)N1C[C@@H](C(=O)NNc2nc3ccccc3[nH]2)CC1=O	768505256	WTJTWSZZBXWWQV-JTQLQIEISA-N	315.377	1.653	50	20	DDGD	
Cc1cc(C=NNC(=O)Cc2cc(O)nc(S)n2)c(C)s1	760239389	LGQKQLSDJWTILO-UHFFFAOYSA-N	322.415	1.842	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@](C)(O)C2CCC2)c1	873776556	FLJCFTLSDAPFDA-HNNXBMFYSA-N	307.419	1.864	50	20	DDGD	
CCc1cc(=NC(=O)NN(C)C(=O)OC)c2ccccc2[nH]1	879600272	SSOZWNODXJATQR-UHFFFAOYSA-N	302.334	1.954	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccn(Cc3ccccc3)n2)n1	772132405	AASPWWAOUFNDAC-UHFFFAOYSA-N	324.344	1.487	50	20	DDGD	
O=C(NN=C1CCCc2ccc([N+](=O)[O-])cc21)N1CCOCC1	773056574	ZCKRPUYQKQGPGZ-UHFFFAOYSA-N	318.333	1.677	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1CC(C)(C)OC1(C)C	1118126833	VWDHCMPUBXXEFT-DCAQKATOSA-N	313.398	1.088	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1cccc2c1OCCC2=O	775723160	QTNKBCCOMSRTEK-UHFFFAOYSA-N	317.280	1.730	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CC2(O)CCC2)c(C)c1	873760328	AVYLOBMQMXDNKF-UHFFFAOYSA-N	307.419	1.926	50	20	DDGD	
CS[C@H](C)CCC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	772240901	XQYKUGJHKNFNDP-MNOVXSKESA-N	318.439	1.643	50	20	DDGD	
CN1CCC[C@H](NC(=O)NNc2c(F)cccc2Cl)C1=O	771332230	AJNBHJWBUMFNQE-JTQLQIEISA-N	314.748	1.726	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1c(F)cccc1OC(F)F	875332232	WXQYMSMDPBDOLG-UHFFFAOYSA-N	321.255	1.840	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)c1	873760407	CPKSETBKVHUAQL-MWLCHTKSSA-N	308.363	1.286	50	20	DDGD	
COC(=O)Nc1cccc(NC(=O)NNc2ncc(F)cn2)c1	775521853	CJOATRTZXRYSKT-UHFFFAOYSA-N	320.284	1.943	50	20	DDGD	
Cc1ccc(C[C@H](C)C(=O)NNC(=O)c2c[nH]nc2C)cc1	778712302	HGLLZSIQLAUCCM-NSHDSACASA-N	300.362	1.666	50	20	DDGD	
COc1cccc(/C(C)=C/C(=O)NNC(=O)C2CCOCC2)c1	883065690	SNQADNDHTGIYSB-ZRDIBKRKSA-N	318.373	1.673	50	20	DDGD	
Cc1ccccc1[C@@H]1C[C@H]1NC(=O)NNC(=O)C1CCOCC1	883708694	NWGAYROUQDLTGL-LSDHHAIUSA-N	317.389	1.608	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cc(F)ccc1N(C)C	880939310	QMNDYVKMKOUCSF-GXSJLCMTSA-N	324.356	1.469	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)C3C(C)(C)C3(C)C)nc21	770982632	IVXOHZHEPSDCTK-UHFFFAOYSA-N	304.354	1.194	50	20	DDGD	
CC(=O)Nc1ccc(S[C@@H](C)C(=O)NN(C)C(N)=O)cc1	778412943	WTYGOHGLXPMKJL-QMMMGPOBSA-N	310.379	1.167	50	20	DDGD	
C[C@@H](CCOc1ccccc1)C(=O)NNC(=O)c1cccnn1	882058024	LVYRRUZZIFZQMS-LBPRGKRZSA-N	314.345	1.343	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1O	882051427	LMZHXLJZHXJSRH-ZHPDPMBESA-N	306.362	1.521	50	20	DDGD	
O=C1CC[C@@H](CC(=O)NNc2c(F)cc(F)cc2F)CN1	885153321	GAMJECYQCHSRIY-ZETCQYMHSA-N	301.268	1.463	50	20	DDGD	
COC1(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)CCC1	781577952	DKKRGBJAFVKSMV-UHFFFAOYSA-N	315.329	1.672	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCc1cccc(N(C)C)c1	887147806	CDZAMTUZRZNPPD-UHFFFAOYSA-N	301.390	1.636	50	20	DDGD	
O=C(CCCOc1cccnc1)NNc1ncncc1Cl	781833476	KAUATZXJSYKMQT-UHFFFAOYSA-N	307.741	1.827	50	20	DDGD	
Cc1cccc(OC[C@H](O)CNS(=O)(=O)CCCCl)c1	881917127	UYIXGBPWALKEIT-GFCCVEGCSA-N	321.826	1.283	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1n[nH]c2ccccc12	788174448	HZBWFCYJOGMWIF-UHFFFAOYSA-N	320.316	1.296	50	20	DDGD	
CC[C@H](C)CCCCC(=O)NNC(=O)C(=O)Nc1ccccn1	784686805	OGEHCRFAYRUXLH-LBPRGKRZSA-N	320.393	1.774	50	20	DDGD	
COC(=O)[C@H](Cc1ccc(F)cc1)NNC(=O)c1ccc[nH]1	783573013	OSRUKDKTBLSDSI-ZDUSSCGKSA-N	305.309	1.173	50	20	DDGD	
Cc1nn(C)cc1[C@@H](C)NC(=O)NNc1ncncc1Cl	780977338	LNZXQXKZTSTYEJ-SSDOTTSWSA-N	309.761	1.559	50	20	DDGD	
Cc1cc(NNC(=O)c2cc([C@@H]3CCCN3C)[nH]n2)nc(C)n1	896457815	JOSVEAPOOSBBKX-ZDUSSCGKSA-N	315.381	1.340	50	20	DDGD	
CC[C@H](O)[C@@H](C)C(=O)NNC(=O)COc1cc(C)ccc1C	899940259	IUMTWUKHFMAUNQ-OLZOCXBDSA-N	308.378	1.237	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)Cn1cc2ccccc2n1	899995528	SYGCNJQBMLBUNM-UHFFFAOYSA-N	305.407	1.330	50	20	DDGD	
COc1ccc(NNC(=O)CC2CCC3(CC2)OCCO3)nc1	788535531	VRHVXPJIKBYDQN-UHFFFAOYSA-N	321.377	1.857	50	20	DDGD	
Cc1nnc(NNC(=O)c2ccc(CC(C)C)s2)nc1O	891960788	STYXGARFHNIRFJ-UHFFFAOYSA-N	307.379	1.903	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)c1ccnn1CC(F)F	789990180	HHFTXJULROFXEE-UHFFFAOYSA-N	324.316	1.910	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)CCc2ccccc2)cn1C	790165945	YVIKFTJERJHXLT-UHFFFAOYSA-N	313.357	1.895	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)CC2OCCCO2)cc1	792817943	CWGPTSMUXQIZHS-UHFFFAOYSA-N	324.402	1.388	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnn(C)c1-c1ccccc1	798306217	AYMZCBXDRSODJD-UHFFFAOYSA-N	315.402	1.382	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CSc2nc(C)co2)cc1	790286124	UVDLLMUMFZCGEX-UHFFFAOYSA-N	305.359	1.845	50	20	DDGD	
Cc1cn2c(=O)c(C(=O)NNc3ncccc3C)cnc2s1	791215779	YMGCQYPZWAAPBL-UHFFFAOYSA-N	315.358	1.525	50	20	DDGD	
CC(C)(C)n1cc(C=NNC(=O)c2ccc(O)c(O)c2)cn1	794558572	CGPKBOZMPUNORQ-UHFFFAOYSA-N	302.334	1.813	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@@H](O)Cc1ccccc1	793327221	BTNYJMQLCWGPPO-INIZCTEOSA-N	312.369	1.370	50	20	DDGD	
Cc1ccc([C@@H](C)C(=O)NNC(=O)c2n[nH]c3c2CCCC3)o1	1318849987	IRUPHZVJXATGOK-SNVBAGLBSA-N	316.361	1.755	50	20	DDGD	
C[C@H](Oc1cccnc1)C(=O)NNC(=O)c1ccccc1Cl	1321905651	NTZYFVWBIPUFAR-JTQLQIEISA-N	319.748	1.964	50	20	DDGD	
COc1ccc(C(=O)NN=C2CCCC[C@H]2S(C)(=O)=O)cc1	1329395915	CURZGOQAQWWFAG-CQSZACIVSA-N	324.402	1.768	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)N[C@@H]1CCN(C2CC2)C1	1322883678	ZQEKJVKYWMRNKP-SNVBAGLBSA-N	322.796	1.521	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cncn1-c1ccccc1)C(F)F	1256284212	BMCHOXPVSIMFRE-UHFFFAOYSA-N	322.315	1.925	50	20	DDGD	
Cn1ccc(NNC(=O)[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)n1	1325385935	NIGIJLWRAFJEFJ-OAHLLOKOSA-N	323.397	1.510	50	20	DDGD	
Cc1cc(C)c(C(=O)O)cc1C=NNC(=O)C1CCOCC1	1330904254	UUIIQHPUMWZOCU-UHFFFAOYSA-N	304.346	1.878	50	20	DDGD	
CCN1CCN(CCC(=O)NNc2ccc(F)cc2C)CC1	1253427292	DRSIAGCYFSYWFN-UHFFFAOYSA-N	308.401	1.605	50	20	DDGD	
CC[C@H](NC(=O)c1cccc(CCl)c1)C(=O)N1CCOCC1	1338903088	RMBUVMUOZWGIBP-AWEZNQCLSA-N	324.808	1.793	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ncoc1[C@@H]1CCCO1	1339125917	FBILQPDUJXOTCG-LBPRGKRZSA-N	315.329	1.909	50	20	DDGD	
COc1ccc(CCC(C)=NNC(=O)c2cccnn2)cc1O	1333656568	FZIAMTLXDJPPMZ-UHFFFAOYSA-N	314.345	1.929	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2)c1ccccc1	1343510561	QVXJJIYPNQNZRI-GBJTYRQASA-N	317.389	1.831	50	20	DDGD	
O=C(NNc1ccc(F)cc1)C(=O)Nc1noc2c1CCCC2	1354217881	YJMLRWLYSXKTFJ-UHFFFAOYSA-N	318.308	1.774	50	20	DDGD	
CC[C@H](CNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C)C(=O)O	1603549858	FWIVBMDVWQTVKV-CGGVXGFASA-N	314.345	1.339	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCC[C@H]1C(=O)O)NC1CCCCC1	1608479121	NFAIGRCUGQIHDB-NWDGAFQWSA-N	311.382	1.541	50	20	DDGD	
Cc1cc(Cl)nc(C(=O)NNc2ccc(C(=O)O)cn2)c1	1600220504	NCTFLBGERWUOHE-UHFFFAOYSA-N	306.709	1.894	50	20	DDGD	
Cc1ccncc1CC(=O)NNc1ccc(C(=O)O)c(F)c1	1600605900	ZXVGVGBRCKSRHY-UHFFFAOYSA-N	303.293	1.913	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@H]2CC[C@@H]3CCCCN32)c1	1602448443	NVGHKIOPLKQTEW-KBPBESRZSA-N	303.362	1.845	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1ccc(C(=O)O)nc1	1601555508	FDAXDHJYZWLALU-UHFFFAOYSA-N	300.274	1.246	50	20	DDGD	
O=C(NNC(=O)C(=O)O)N[C@H]1CCC[C@H](c2ccccc2)C1	1601553089	UAWYRPJEVHNWNU-RYUDHWBXSA-N	305.334	1.128	50	20	DDGD	
Nc1ccc(Cl)cc1C(=O)NNc1ncccc1C(=O)O	1605654488	CSDNYJIFPALZRD-UHFFFAOYSA-N	306.709	1.772	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C/c1cccc(F)c1-c1nn[nH]n1	1606336744	JZKFHSZLIZAPOB-RUDMXATFSA-N	306.264	1.173	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)cc1	1605821032	AUAGCOWJJDUWBY-UHFFFAOYSA-N	322.328	1.250	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C/c1nc(-c2nn[nH]n2)cs1	1609216478	LUOWMVAFSWFQMG-QPJJXVBHSA-N	310.364	1.012	50	20	DDGD	
Cc1ccc(NNC(=O)c2ccc3nn[nH]c3c2)cc1C(=O)O	1607809415	RZMPNOVZVCHRFS-UHFFFAOYSA-N	311.301	1.721	50	20	DDGD	
CC[C@@H](C)NC(=O)CCNC(=O)NNc1cccc(C(=O)O)c1	1609908044	NWYXMZIMXVEBGS-SNVBAGLBSA-N	322.365	1.316	50	20	DDGD	
COc1cnc(C(=O)NNc2cccc(C(=O)O)c2C)nc1	1607353843	BQORGLBPOBPHQS-UHFFFAOYSA-N	302.290	1.249	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2ccc3nn[nH]c3c2)cc1	1602129083	NEQFNWKHDIVSPB-UHFFFAOYSA-N	311.301	1.342	50	20	DDGD	
C[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)CCl)C2	1801949084	XEJHXIDBZQAFPV-WISYIIOYSA-N	316.829	1.270	50	20	DDGD	
O=C(NN=CCCc1ccc(F)cc1)[C@H]1CN2CCC[C@H]2CO1	1549320026	KCVJHXWXSMRTOE-JKSUJKDBSA-N	319.380	1.724	50	20	DDGD	
CCCCNC(=O)NN=C[C@H]1CCCO[C@H]1c1nccn1C	1552447290	RBSCTPVPJFPJGX-CHWSQXEVSA-N	307.398	1.973	50	20	DDGD	
CC1(C(=O)NNc2ccc(Br)c(F)c2)CNC1	1576349899	KBVCADMCAIXERD-UHFFFAOYSA-N	302.147	1.641	50	20	DDGD	
CCCC[C@@H](N)C(=O)NNC(=O)c1cc(Br)c[nH]1	1577410435	GHKWHANTFYZQJH-MRVPVSSYSA-N	317.187	1.056	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](F)[C@@H]2CCNC2)cc1F	1578870980	NFQHBEIWANZQCM-PRHODGIISA-N	313.304	1.003	50	20	DDGD	
Cn1c(C(=O)NNC(=O)CCCCCN)cc2ccccc21	1579944243	IFNUOIWUYXSNQG-UHFFFAOYSA-N	302.378	1.458	50	20	DDGD	
C[C@]1(C(=O)NNc2ccc(OC(F)F)cc2)C[C@H](N)CCO1	1576351118	WOMROJCMHQINKJ-YMTOWFKASA-N	315.320	1.628	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1coc(/C=C/C(=O)O)c1)C1CC1	1589121806	WYGAFCKZPXNEEQ-ZJELKQJVSA-N	323.374	1.285	50	20	DDGD	
CC(=NNC(=O)C(=O)O)c1cnn(-c2ccc(F)cc2)c1C	1589011472	YUYMEIFRKKBILW-UHFFFAOYSA-N	304.281	1.245	50	20	DDGD	
C[C@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)C(F)(F)F	1589793221	QWGSYHMQPFVMHZ-SSDOTTSWSA-N	314.271	1.898	50	20	DDGD	
CC[C@@](C)(NS(=O)(=O)c1ccc(CCCl)cc1)C(=O)O	1594853692	GSNATCHRVZNMCV-CYBMUJFWSA-N	319.810	2.000	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2ccccc2C(=O)O)n(C)n1	1591930645	UCRHXAOALLGYOB-UHFFFAOYSA-N	302.334	1.999	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNc1cccc(F)c1C(=O)O	1598841529	ZUJNQMLLVVIUQR-QMMMGPOBSA-N	312.297	1.556	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cccc(OCC(=O)O)c2)cc1	1594623819	JOZPQCMGVMWWJF-UHFFFAOYSA-N	311.297	1.779	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNc2ccc(C)c(C(=O)O)c2)CC1=O	1595895108	AYRXXIZZFGLSCI-NSHDSACASA-N	319.361	1.395	50	20	DDGD	
CCCn1cc(C(=O)NNc2ccc(C(=O)O)c(F)c2)cn1	1596111929	JAMPSRGWUKBPAH-UHFFFAOYSA-N	306.297	1.887	50	20	DDGD	
CCC(C)(C)[C@@H](C)NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1590373189	CIHZLSPYMRIARB-SECBINFHSA-N	318.385	1.713	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)O)cc1	1596665256	RPDJDZZDLKXORT-WDEREUQCSA-N	307.306	1.657	50	20	DDGD	
Cc1cc(C=NNC(=O)c2cccc(C(=O)O)c2)[nH]c1C(=O)O	1776096033	HQMXEFHILIJXEE-UHFFFAOYSA-N	315.285	1.483	50	20	DDGD	
CC(=NNC(=O)c1ccc(CO)o1)c1ccccc1C(=O)O	1776097150	NPSCLZKCTBETNS-UHFFFAOYSA-N	302.286	1.624	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1c(F)cc(C(=O)O)cc1F	1777033699	AEULNGRWHRUGSB-VMPITWQZSA-N	316.285	1.419	50	20	DDGD	
COc1cc(C(=O)O)ccc1C=NNC(=O)[C@H]1CCCS1	1776081734	DXTIHZZVZMEGOI-GFCCVEGCSA-N	308.359	1.739	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)COc1ccccc1	12403182	XRAPIDPAKJSUJE-UHFFFAOYSA-N	300.314	1.535	50	20	DDGD	
Cn1c(C(=O)NNC(=O)c2ccc3ccccc3c2)cccc1=O	160210114	KHZIVOGPHXKFQY-UHFFFAOYSA-N	321.336	1.613	50	20	DDGD	
O=C(CCn1ccccc1=O)NNc1cccc([N+](=O)[O-])c1	151592545	NCKNGNJMNVUCPL-UHFFFAOYSA-N	302.290	1.290	50	20	DDGD	
Cn1c(=O)n(CC(=O)NNc2ccccc2F)c2ccccc21	152795726	GMHGCERGCCKZKU-UHFFFAOYSA-N	314.320	1.622	50	20	DDGD	
COc1ccccc1C(=O)NCC(=O)NNc1cccc(C#N)c1	155427278	ONLZRBBITYUIPD-UHFFFAOYSA-N	324.340	1.440	50	20	DDGD	
Cc1cc(C)cc(NC(=O)C(=O)NNC(=O)c2ccncc2)c1	159821228	UFYFCAMDNGMJIQ-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)Cn2nc3ccccn3c2=O)c1	159069203	SOZUAWQQILOMLR-UHFFFAOYSA-N	311.345	1.256	50	20	DDGD	
CN1CCC[C@H]2CN(S(=O)(=O)CBr)CC[C@@H]21	127557028	ZBBWGQSODHPDHM-UWVGGRQHSA-N	311.245	1.085	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)N(C)NC(=O)OCc1ccccc1	862288978	KDRAAAANOWFGKG-KGLIPLIRSA-N	304.346	1.877	50	20	DDGD	
CN(C)N(C(=O)CC1=CCCCC1)[C@H]1CCS(=O)(=O)C1	106602209	MQOMFKQSPGIALW-ZDUSSCGKSA-N	300.424	1.369	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1	103311913	XGSANHSEMBERSQ-SECBINFHSA-N	324.347	1.390	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)c1ccc([N+](=O)[O-])c(O)c1	26972628	WAPSPGGXMKRWOQ-UHFFFAOYSA-N	319.248	1.514	50	20	DDGD	
CN(NC(=O)c1ccccc1NC(=O)c1cccs1)C(N)=O	179695789	NRJZNRTZCLPSFN-UHFFFAOYSA-N	318.358	1.656	50	20	DDGD	
CC(=O)N1CCc2cc(C(=O)NNC(=O)CC(C)(C)C)ccc21	103199143	BQTWYFITHDQUTI-UHFFFAOYSA-N	317.389	1.793	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)[C@@H]2C[C@@H]2C)cc1OC	24289484	QGPVYWBDPAIPEU-CMPLNLGQSA-N	306.362	1.901	50	20	DDGD	
CC[C@H](C)N(C)CCNC(=O)NNC(=O)c1ccccc1C	66203398	WPJNQWXAHFLUSH-ZDUSSCGKSA-N	306.410	1.669	50	20	DDGD	
CN1CC[C@H](C(=O)NNC(=O)c2cc3ccccc3o2)CC1=O	177748249	HBCLTVANJORGCO-NSHDSACASA-N	315.329	1.062	50	20	DDGD	
Cc1ccccc1[C@@H](C)CC(=O)NNC(=O)C(=O)NC(C)C	116166165	QWTLWGARDXSVPZ-LBPRGKRZSA-N	305.378	1.161	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NC[C@@H](c1ccco1)N1CCCC1	28805277	KKJFUBWDISVTFC-CMPYXILNSA-N	303.362	1.977	50	20	DDGD	
CCCCCC[C@H](C)C(=O)NNC(=O)CNC(=O)c1ccco1	172935344	BNKDCEDFAYJRIA-LBPRGKRZSA-N	323.393	1.763	50	20	DDGD	
COCCCC(=O)N/N=c1\nc(-c2ccccn2)[nH]c(C)c1C	114891116	NCYMVZCKIDLILO-UHFFFAOYSA-N	315.377	1.447	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)C1(c2cccc(F)c2)CC1	115346195	FDWFRIURJLTCSL-UHFFFAOYSA-N	317.320	1.981	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2nc[nH]n2)cc1	175935700	QAFPCHGHDDWUNO-ZWSXMNCCSA-N	311.345	1.988	50	20	DDGD	
O=C(CSC1=NCCS1)NNC(=O)c1cccs1	28625219	HTTCCDRHUBQMLM-UHFFFAOYSA-N	301.418	1.345	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cccc(OC(F)F)c1	302719925	QWRALUJLPUMOTO-UHFFFAOYSA-N	309.272	1.701	50	20	DDGD	
O=C(NNC(=O)[C@H]1SCCc2sccc21)c1ccncc1	173005853	WVMBRRGKFLWXPX-LBPRGKRZSA-N	319.411	1.935	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCc1ccn2ccnc2c1	177789919	HDRLQUVPBRMUHO-UHFFFAOYSA-N	305.338	1.573	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCOc1ccc(C)cc1C	68461324	CMWKJAKFUYJQGE-UHFFFAOYSA-N	323.393	1.439	50	20	DDGD	
CCNC(=O)NNC(=O)c1nn(-c2ccccc2)c2c1CCC2	65190391	FFGGIBGYESKYRL-UHFFFAOYSA-N	313.361	1.325	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NNc1ccccn1	181244672	APPRVYSEUUOOJX-LLVKDONJSA-N	306.366	1.924	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@@H](N)C(C)C)c1	181374164	KQFCGXXZQZOAOO-INIZCTEOSA-N	321.421	1.628	50	20	DDGD	
COCCC1(C(=O)NNC(=O)c2cc(Cl)ccc2O)CC1	126921614	NDDBDAUQOPRZEK-UHFFFAOYSA-N	312.753	1.623	50	20	DDGD	
CC[C@@H]1C[C@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCO1	182204171	HBTXRGSDUNNAPI-DGCLKSJQSA-N	321.333	1.561	50	20	DDGD	
O=S(=O)(CBr)N1CCCC[C@@H]1c1cc[nH]n1	367514074	MCIARQUELKGBQF-SECBINFHSA-N	308.201	1.619	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NCc1cccnc1	73117851	FCWPMQRDEYVUMS-UHFFFAOYSA-N	324.344	1.182	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccc(N2CCCC2=O)cc1	122653917	HXOCBNRYONANDB-UHFFFAOYSA-N	315.308	1.499	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cc(F)c(O)c(F)c1	186782377	VTSPUTWLZORQQU-UHFFFAOYSA-N	307.256	1.069	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc(OC(C)C)cc2)[nH]n1	184072499	WMGMAVOPNOVILN-UHFFFAOYSA-N	317.349	1.972	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(-n3ccnc3)nc2)n1	180723999	MPFSVLPSPHYMDU-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1	31674863	KRYSYEUZRZUKGR-UHFFFAOYSA-N	312.391	1.287	50	20	DDGD	
O=C(CSC[C@H]1CCCCO1)NNc1ncc(F)cn1	123274835	XQUSGYDPVCBQDC-SNVBAGLBSA-N	300.359	1.361	50	20	DDGD	
C[C@@H]1CC[C@@H](CCC(=O)NNC(=O)COc2ccc(F)cc2)O1	75182760	UOGAYEJODAAEBE-RISCZKNCSA-N	324.352	1.700	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)c1ccccc1O)c1nccs1	187041710	ODKKGORWMMEROD-SECBINFHSA-N	320.374	1.596	50	20	DDGD	
C[C@](O)(CNC(=O)NNC(=O)c1ccccc1)c1ccsc1	77527336	LPHONASFBJNHQU-HNNXBMFYSA-N	319.386	1.600	50	20	DDGD	
O=C(NNc1nc2ccccc2c(=O)[nH]1)c1cc(Cl)ccn1	137185025	UMWYTJSEYCAGBL-UHFFFAOYSA-N	315.720	1.728	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@@H]1COc2ccccc2C1	193304850	UTXDKHHLHIDWPY-JTQLQIEISA-N	319.752	1.760	50	20	DDGD	
C#CCCCC(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	192185892	BDUFWMRRKBMEMK-UHFFFAOYSA-N	316.329	1.930	50	20	DDGD	
N#CCSCC(=O)NNC(=O)c1ccc2ccccc2n1	192721397	BRRODCIVWSXZQI-UHFFFAOYSA-N	300.343	1.253	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cnc(Cc2ccccc2)s1	192930043	JIPJEOYSDLGEOB-UHFFFAOYSA-N	319.386	1.266	50	20	DDGD	
O=C(NCc1cnn(Cc2ccccc2)c1)NNc1ncccn1	46959908	AZKKWEYRNPKUKS-UHFFFAOYSA-N	323.360	1.548	50	20	DDGD	
COc1nccnc1NNC(=O)c1sccc1OC(F)F	131715100	VWYYNYKPURCNPF-UHFFFAOYSA-N	316.289	1.905	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C(=O)Nc2nocc2C)c1	134379640	BZVWIZUZKYYKDG-UHFFFAOYSA-N	308.269	1.213	50	20	DDGD	
C#CCCCC(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1	192023194	FHWCRUQBWHRAAH-UHFFFAOYSA-N	321.402	1.374	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)NC[C@@H]1C[C@@H]1C	47098982	CAWWEZHPTPPYIX-QWRGUYRKSA-N	307.350	1.060	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	145546697	ZZGQOXCVWMQLEM-UHFFFAOYSA-N	323.714	1.188	50	20	DDGD	
CC(C)[C@@H](CO)NS(=O)(=O)c1ccc(CCCl)cc1	92417025	WWRCGSNAWQOANW-CYBMUJFWSA-N	305.827	1.763	50	20	DDGD	
Cc1ccc(C(N)=O)cc1NC(=O)NNc1ccc(Cl)nn1	92601442	AHZIPPZXODXGEK-UHFFFAOYSA-N	320.740	1.686	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1CCOC(C)(C)C1	269949988	RFLYYZFHXYAGTL-LBPRGKRZSA-N	305.378	1.897	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H](C)Cn1cccn1	266878152	ZNAJDYIMFQTDBU-SNVBAGLBSA-N	309.801	1.754	50	20	DDGD	
O=C(NNc1ncccn1)[C@@H]1CC(=O)N(c2ccccc2F)C1	363067786	RSNBJHKEGUETDT-SNVBAGLBSA-N	315.308	1.112	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)n2nnnc2C(C)(C)C)nc(C)n1	273418473	OHNSGIXCGOUJQE-SECBINFHSA-N	318.385	1.082	50	20	DDGD	
CCOc1cccc(NC(=O)C(=O)NNC(=O)CC(C)C)c1	274246629	YVZMTFXJBLHJEM-UHFFFAOYSA-N	307.350	1.217	50	20	DDGD	
CN1CC[C@@H](NC(=O)NNc2cc(Cl)cc(Cl)c2)C1=O	276801583	DTARJODYPQEHAC-SNVBAGLBSA-N	317.176	1.850	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccc(-c2n[nH]c(C)n2)c1	373165436	HQCDPPNTBCEHJB-UHFFFAOYSA-N	304.310	1.563	50	20	DDGD	
Cc1ccccc1-c1noc(C)c1C(=O)NNC(=O)CN(C)C	280718046	LYJYLINIXMETOS-UHFFFAOYSA-N	316.361	1.281	50	20	DDGD	
CC(=O)N1CCC[C@H]1C(=O)NNc1nccnc1C1CCC1	287211505	NUVOSIVXQONXBP-LBPRGKRZSA-N	303.366	1.198	50	20	DDGD	
COc1ccc(NNC(=O)CCCCN2CCOCC2)cc1	280800569	VTUNDOLACDIRKT-UHFFFAOYSA-N	307.394	1.641	50	20	DDGD	
Cn1ncc2c1C[C@@H](C(=O)NNC(=O)c1ccccc1F)CC2	280899700	CJKQCPCGUGKYBG-JTQLQIEISA-N	316.336	1.125	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@](C)(C#N)CC	287239787	IZOOSIVWYCTKPT-INIZCTEOSA-N	303.362	1.715	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CCCCN1C(=O)c1ccco1	285778356	AQAZTOLELOQEHH-SNVBAGLBSA-N	309.322	1.004	50	20	DDGD	
CO[C@@H]1Cc2ccccc2N(S(=O)(=O)CBr)C1	282007181	MMIGAZOBLRUBBS-SNVBAGLBSA-N	320.208	1.746	50	20	DDGD	
CC(C)(COCc1ccccc1)C(=O)NNC(=O)NC1CC1	281943963	FDIRBIHWJGFCGS-UHFFFAOYSA-N	305.378	1.722	50	20	DDGD	
CC(C)n1cnc(C(=O)NNC(=O)COc2ccccc2O)c1	281351866	UGGFINQJMMISNL-UHFFFAOYSA-N	318.333	1.010	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1c[nH]c2c(F)cc(F)cc2c1=O	806836547	RXLSILZXXNORQN-UHFFFAOYSA-N	321.283	1.367	50	20	DDGD	
CCn1ncc2ccc(NC(=O)NNC(=O)[C@@H]3CCCO3)cc21	292510433	DBANEGLIKNQWOZ-ZDUSSCGKSA-N	317.349	1.388	50	20	DDGD	
Cc1ccc(F)c(NC(=O)C(=O)NNc2ncccc2F)c1	807300581	PZKLDVLJFXWRHO-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
CSCCNC(=S)NNC(=O)Cc1coc2ccccc12	802985485	FXEJWVYWMIRKOU-UHFFFAOYSA-N	323.443	1.834	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)c(O)n1	802003981	AMSNQEVHVOBIMK-UHFFFAOYSA-N	322.271	1.840	50	20	DDGD	
Cc1cnc([C@@H](C)CNC(=O)NNc2ncncc2F)s1	293084855	RQHIJEJEELBYNX-ZETCQYMHSA-N	310.358	1.810	50	20	DDGD	
O=C(NCCc1cccnc1)NNc1ccc2c(=O)[nH]ccc2c1	806365927	DUWRCKTYZILPKC-UHFFFAOYSA-N	323.356	1.792	50	20	DDGD	
CCC[C@@H](C)C(=O)NCCNC(=O)NNc1cccc(F)n1	292920466	XTABNIAINNYNIK-SNVBAGLBSA-N	311.361	1.399	50	20	DDGD	
CSc1ccc(NNC(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)cc1	295599442	HSUMCXBWLLSEHR-DDTOSNHZSA-N	308.403	1.903	50	20	DDGD	
COCCCNC(=O)NN=Cc1cn(-c2ccccc2C)nn1	807965795	KNZAFJBIVQXMSE-UHFFFAOYSA-N	316.365	1.245	50	20	DDGD	
C[Si](C)(C)c1ccc(CC(=O)NNC(=O)[C@@H]2CCCO2)cc1	294123577	SYAAMHNNISVKJO-AWEZNQCLSA-N	320.465	1.101	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2nc(C)oc2C)cc1	295548865	YDDACPKWGOYNGP-UHFFFAOYSA-N	302.334	1.473	50	20	DDGD	
Nc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)Nc1ccccc1	801989316	OQUPYUFRHUUISK-UHFFFAOYSA-N	315.289	1.644	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C2CCSCC2)cc1	802062737	RDMZUQPSCSVIED-UHFFFAOYSA-N	309.391	1.991	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Nc1ccc2c(c1)OCO2)C(F)(F)F	802105394	WVQDNNFRJXONLK-LURJTMIESA-N	319.239	1.766	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)CCC(C)C)C(=O)O	818626808	KCSDVFQOUXZDOH-UHFFFAOYSA-N	301.387	1.644	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@](C)(C#N)CC(=O)O)c1ccccc1	819846755	GJQDPKNASGOWER-INIZCTEOSA-N	317.345	1.116	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccc(F)cc1C(F)(F)F	816769670	QXKYTKXOSADOOF-UHFFFAOYSA-N	303.219	1.730	50	20	DDGD	
COCCn1cc(CNC(=O)NNc2cccc(Cl)n2)cn1	814329374	KLIAGYJOIJFALP-UHFFFAOYSA-N	324.772	1.404	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)C(C)(F)F	815488824	JLJNIVJAIFOPKA-BDAKNGLRSA-N	308.325	1.403	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)s1	812267114	BAECCPMGGAOLAK-UHFFFAOYSA-N	302.299	1.486	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNc2ncncc2F)cc1F	814669555	DXAIGIMGWCHRFH-UHFFFAOYSA-N	323.259	1.690	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ncncc2F)cc1C	815764557	LVCBVUSPAXCURZ-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1ocnc1C1CC1	813424931	YYQBPKAHWKTIAA-UHFFFAOYSA-N	320.374	1.800	50	20	DDGD	
CCCN(CC)C[C@H](C)NC(=O)NNC(=O)c1cccc(C)n1	811913683	UNXLPCCKXXQBTJ-ZDUSSCGKSA-N	321.425	1.454	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2ccnnc2)CN1Cc1ccccc1	817343650	QLQJEXXIMAKBPC-ZDUSSCGKSA-N	309.373	1.857	50	20	DDGD	
O=C(NNc1ncncc1F)c1cccc(NC(=O)C2CC2)c1	817079169	KUNJQPAOJXTRHG-UHFFFAOYSA-N	315.308	1.721	50	20	DDGD	
O=C(Cn1cccc(C(F)(F)F)c1=O)NCC(Cl)Cl	816605179	OGXXYKRNOJLMHP-UHFFFAOYSA-N	317.094	1.787	50	20	DDGD	
CC(C)c1cc(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)on1	826010370	PCBGTWBIJAJBBW-GXSJLCMTSA-N	310.354	1.053	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(-c2ccc(F)cc2)n(C)n1	823384476	LUTBUOZYKCSQFY-JTQLQIEISA-N	306.341	1.184	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)[C@H]1C[C@H]2CC[C@H]1O2	496368047	XEQLXILFUANBFK-IJLUTSLNSA-N	311.382	1.571	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)C2(C)CCOCC2)c1	726751788	FTCJSIUESPMNHD-UHFFFAOYSA-N	305.378	1.330	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCCc2cc(F)cc(F)c21	827416040	SGRHXFQJFNRYEJ-UHFFFAOYSA-N	311.332	1.521	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H]1CCCc2nn[nH]c21	825222469	GDMAXIZQWKPBBK-SECBINFHSA-N	318.289	1.747	50	20	DDGD	
O=C(NN=Cc1c[nH]c2ccc(-c3nn[nH]n3)cc12)C(F)F	826444312	AMHFQTIGZTVTTE-UHFFFAOYSA-N	305.248	1.063	50	20	DDGD	
CN1C[C@H](N(C)C(=O)[C@@H](Br)C(C)(C)C)CCC1=O	820395936	HEHQFMXRPWDZFY-MWLCHTKSSA-N	319.243	1.875	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCCC1=NN(C)C(N)=O	495326218	HYWJCUAFIKZYGE-VHSXEESVSA-N	314.386	1.303	50	20	DDGD	
CC(C)C[C@H](NC(=O)O)C(=O)NNc1cccnc1Cl	824211991	WPMNRHPZLOZEOR-VIFPVBQESA-N	300.746	1.860	50	20	DDGD	
C[S@](=O)C1(CNC(=O)/C(C#N)=C\c2ccc(F)cc2)CC1	491050406	PQZASPMPXBTEIN-UOMAQRANSA-N	306.362	1.760	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccc(NC(=O)N(C)C)c1C	492256921	HCVFSKWORKOLGK-UHFFFAOYSA-N	323.353	1.871	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C(C)=C2CCC2)cc1OC	823601788	AYTHOAKLCHPTBF-UHFFFAOYSA-N	304.346	1.965	50	20	DDGD	
CCOC(=O)Nc1ccc(NC=C(C#N)C#N)cc1-c1nn[nH]n1	825553209	MVQFTOJEDSJZAZ-UHFFFAOYSA-N	324.304	1.778	50	20	DDGD	
C[C@@H](C=NNC(=O)[C@@H]1CCCCO1)CNC(=O)OC(C)(C)C	497092062	HSUDYBCGWHXIGO-NEPJUHHUSA-N	313.398	1.818	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNC(=O)c1ccccc1	495963207	SCEBCJAKCMACJR-JQWIXIFHSA-N	307.350	1.218	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](C(=O)NNC(=O)c2cccc(F)n2)CCO1	826695959	SJJQVKARLFKXFY-JQWIXIFHSA-N	309.341	1.433	50	20	DDGD	
O=C(NNC(=O)c1ccc(C(F)(F)F)[nH]1)NC1CCCC1	822836266	AOYRCQSEFHTIMA-UHFFFAOYSA-N	304.272	1.920	50	20	DDGD	
COCCCNC(=O)NNC(=O)CC[C@H]1CC1(Cl)Cl	823810944	XRQPGWTWWAETBZ-QMMMGPOBSA-N	312.197	1.327	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21)c1ccccc1	906625424	PEEOFBKNMPQOKO-KWCYVHTRSA-N	300.358	1.337	50	20	DDGD	
CCCNC(=O)NN=C(C)[C@H]1CN(Cc2ccccc2)CCO1	735614024	PNPPTPIXKWRCJG-MRXNPFEDSA-N	318.421	1.973	50	20	DDGD	
O=C(NCC1CCC1)NNC(=O)c1cnn(-c2ccccc2)c1	733338294	ULLKSFKJAPTDPX-UHFFFAOYSA-N	313.361	1.616	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NN(C)C(=O)OC(C)(C)C	496624432	MAVMKCZLKVMAAP-LLVKDONJSA-N	313.398	1.676	50	20	DDGD	
Cc1ccccc1CC(=O)NN=Cc1cccc(-c2nn[nH]n2)c1	822351959	SCSROWUQNDUVJA-UHFFFAOYSA-N	320.356	1.868	50	20	DDGD	
COC(=O)c1ccc(/C=C(\C#N)C(N)=O)c(Br)c1	491046007	GHMDYHHBBQHNBN-RUDMXATFSA-N	309.119	1.628	50	20	DDGD	
O=[N+]([O-])c1ccc(-c2csc(N3CC[C@H](B(O)O)C3)n2)cc1	585079114	SBKIBYWAALXNOA-JTQLQIEISA-N	319.151	1.771	50	20	DDGD	
CC(C)N1CC[C@H](N(C)C(=O)/C(C#N)=C\c2cnn(C)c2)C1	491008538	IMCKBWNHDMUKFK-GSHXUFRSSA-N	301.394	1.268	50	20	DDGD	
CSCCCNC(=S)NNC(=O)Cc1ccccc1F	731321587	LJJOGZZEUUQPTL-UHFFFAOYSA-N	315.439	1.617	50	20	DDGD	
O=C(/C=C\c1ccc2c(c1)OCO2)NNc1nc2ccccn2n1	493700372	XLBMAUPBORTBRR-ALCCZGGFSA-N	323.312	1.615	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNC(=O)Cc1ccccc1F	838776140	OSJSGXDFDFAYSA-OLZOCXBDSA-N	309.341	1.266	50	20	DDGD	
CC[C@H](C)[C@H](CNC(=O)NNC(=O)Cc1ccccc1C)OC	836546304	GUYMWZQQFJJVPN-WFASDCNBSA-N	321.421	1.929	50	20	DDGD	
COc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)[C@@H]1CCCCO1	839780598	BYBPWKRWVMHFLU-GUTXKFCHSA-N	318.373	1.515	50	20	DDGD	
OB(O)c1ccc(CNCC2(c3c(F)cccc3F)CCC2)o1	585046736	VSCOGMZGFWGZMY-UHFFFAOYSA-N	321.132	1.449	50	20	DDGD	
OB(O)c1ccc(CNc2ccc3c(c2)CCCO3)c(F)c1	585034762	TWRKOKPRWIXITG-UHFFFAOYSA-N	301.126	1.443	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NN[C@H](C(=O)O)c1cccnc1	833123156	WTVCUDVUBVAHNT-INIZCTEOSA-N	324.340	1.483	50	20	DDGD	
NC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ccc(Br)cc1F	901161910	CIRJTRKUKWPEQN-RQJHMYQMSA-N	316.130	1.153	50	20	DDGD	
N#Cc1cccc(NNC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]32)c1	830767265	ZCMGCTWDVHZRQC-ZNMIVQPWSA-N	312.373	1.696	50	20	DDGD	
CCC[C@@H]1CCCC[C@H]1CNC(=O)NNC(=O)c1cnn(C)c1	836658455	LSVBZLWSCGPJFU-OLZOCXBDSA-N	321.425	1.971	50	20	DDGD	
CN(CC(=O)NNc1cccc(C(=O)O)c1)[C@@H]1CCSC1	833692386	ODKYXQVKKIOBLF-GFCCVEGCSA-N	309.391	1.265	50	20	DDGD	
CC(C)N1CCC[C@H](OC(=O)/C(C#N)=C/c2cnn(C)c2)C1=O	837972702	WMVDVFZRSQGYFN-GUNGLEHYSA-N	316.361	1.270	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1cc(C(=O)O)ccc1C(=O)OC	737130019	URTXZHICOIYHJK-NTMALXAHSA-N	318.285	1.554	50	20	DDGD	
CCN(CC)C(=O)CCCC(=O)NNc1cccc(C(=O)O)c1	833653745	GPPAYRNTYGETQK-UHFFFAOYSA-N	321.377	1.867	50	20	DDGD	
CC[C@H](NC(=O)c1ccc(B(O)O)cc1)[C@@H](C)c1ccccc1	584956730	HCHUYMUEQYUBDV-GUYCJALGSA-N	311.190	1.679	50	20	DDGD	
O=C(N[C@H](C1CCCC1)C(F)(F)F)c1cccc(B(O)O)c1	584959674	CVSXADAXYJLGPA-GFCCVEGCSA-N	315.100	1.217	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)CNc2cccc(OC)c2)n1	834933820	RNHQHENLWLZCIG-UHFFFAOYSA-N	316.365	1.177	50	20	DDGD	
N#Cc1ccc(SCC(=O)NNC(=O)c2cccs2)nc1	913193951	HDRCLJKHODCOBF-UHFFFAOYSA-N	318.383	1.568	50	20	DDGD	
O=C(NNC(=O)[C@H]1Cc2ccccc21)c1cccc([N+](=O)[O-])c1	741883479	VISNQGFIHIRHAF-AWEZNQCLSA-N	311.297	1.696	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNC(=O)c1cc2ccccc2o1	836341894	ULDYFMCADPDSIA-NEPJUHHUSA-N	315.329	1.720	50	20	DDGD	
C[C@]1(C(=O)N2CC[C@@H](c3cc(O)n[nH]3)C2)C[C@H]1Br	911854024	HJMJBWCBMJHNBG-GMEUVTARSA-N	314.183	1.605	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCN1CC[C@@H](C)C1	746332749	FJYUJULTJSTZCD-LLVKDONJSA-N	312.845	1.810	50	20	DDGD	
O=C(CNC(=O)N1CCCC1)NNc1cccc(F)c1Cl	912981162	DVHSIQQGROENOR-UHFFFAOYSA-N	314.748	1.728	50	20	DDGD	
CC[C@H](Cc1ccccc1)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843652820	VBMPBYJLJSJXHF-NWANDNLSSA-N	304.390	1.828	50	20	DDGD	
CCCC[C@@H](CN)NC(=O)NNC(=O)CCCc1ccccc1	841957427	JSEFMNJQKDYZAN-HNNXBMFYSA-N	320.437	1.857	50	20	DDGD	
Cc1nnc(NNC(=O)c2sccc2OC(F)F)nc1O	745989145	MCHOHFQOQVHAQP-UHFFFAOYSA-N	317.277	1.305	50	20	DDGD	
O=C(NNC(=O)c1ncccn1)N[C@H]1C[C@@H]1C1CCCCC1	841582992	WPKPONZETOLVSR-NEPJUHHUSA-N	303.366	1.389	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NNC(=S)Nc1ccccn1	913825646	KWQUQJNJOKTRSR-JTQLQIEISA-N	307.423	1.272	50	20	DDGD	
COc1cc2c(cc1F)C(=NNC(=O)[C@@H]1CCO[C@H]1C)C(=O)N2	842549837	RQHASFUVHJTAQM-JGVFFNPUSA-N	321.308	1.032	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@@H]1CCc2cncn2C1	844138667	TTZKBPQLBOEYFU-SNVBAGLBSA-N	301.306	1.497	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)[C@@H](C)C1(C)C	843972641	VMRHPZZVMMOUDX-RHYQMDGZSA-N	310.394	1.200	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCC[C@@]1(O)CCCOC1	845719420	UYYGGDXTGVGMLB-HNNXBMFYSA-N	311.357	1.692	50	20	DDGD	
Cn1c(NNC(=O)c2ncn(C(C)(C)C)n2)nc2ccccc21	848380534	JMKSAYFRYWPGFN-UHFFFAOYSA-N	313.365	1.677	50	20	DDGD	
Cc1cc(F)cc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1	742471304	BHPWDPANXYAZMI-UHFFFAOYSA-N	316.288	1.938	50	20	DDGD	
O=C(NNC(=O)N1CC(F)(F)C(F)(F)C1)c1ccccc1	841576518	FILJHQGMMGWVQO-UHFFFAOYSA-N	305.231	1.627	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1cc([N+](=O)[O-])cn1C	918690962	OSOJRILKFLLUFB-UHFFFAOYSA-N	317.305	1.708	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=S)NC2(C)CCC2)c1	840702314	RJUMHWLYEGFQMC-UHFFFAOYSA-N	322.434	1.545	50	20	DDGD	
COc1cc(OC)c(C=NNC(=O)[C@@H]2CCO[C@@H]2C)cc1F	844601454	NKHCKBUZIHTHNE-MWLCHTKSSA-N	310.325	1.718	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)CNC(=O)c2cccs2)o1	749366820	HWTRLUWZINOVAU-UHFFFAOYSA-N	321.358	1.149	50	20	DDGD	
CSSCCNS(=O)(=O)c1ccc2nc(O)oc2c1	841518984	RPQRUWIHEARGBE-UHFFFAOYSA-N	320.417	1.823	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)/C=C\[C@@H]2CCOC2)cc1	846377589	XGLBLHWHAVCQNC-LLPBQKLSSA-N	304.346	1.438	50	20	DDGD	
O=C(NNc1cccc(Br)c1)[C@]1(O)CCOC1	840401120	FZRAZCHUHCVQKZ-NSHDSACASA-N	301.140	1.044	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	843640471	NUOSSBZOEIOQMG-JSGCOSHPSA-N	306.362	1.336	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)CCOC[C@H]2CCCO2)o1	746521893	HAHBPGFNKICHLK-LLVKDONJSA-N	322.365	1.698	50	20	DDGD	
CC(C)c1ncc(C(=O)NNc2ccnc(N(C)C)n2)s1	746293291	GQTGWSANNJWTRL-UHFFFAOYSA-N	306.395	1.879	50	20	DDGD	
CC(C)CO[C@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1O	920809979	XASYCWCDUUIHCT-SECBINFHSA-N	314.769	1.868	50	20	DDGD	
CSCc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	843647108	NACNCNDXOADMAB-GXFFZTMASA-N	308.403	1.736	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1cccc(Br)c1	748021560	DCICQDDEOLKTNT-ZDUSSCGKSA-N	322.206	1.990	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(F)c(NC(C)=O)c1	929497059	XNSPBGMMJJJCRE-UHFFFAOYSA-N	320.324	1.740	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)NNc1cc(F)cc(Cl)c1	855619568	RCXBAZVOYUDMSJ-UHFFFAOYSA-N	322.789	1.993	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H]2CCN(C)[C@@H](C)C2)c1	858285295	VUDXRJJPTGKGFZ-QWRGUYRKSA-N	310.423	1.483	50	20	DDGD	
CCOC(=O)[C@H](C[C@@H](C)CC)NS(=O)(=O)CCCCl	921382447	DJNNZAQGRUKTDL-QWRGUYRKSA-N	313.847	1.903	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNC(=O)c2cc[nH]n2)cc1	855358014	YENNPRJPWPSKQV-UHFFFAOYSA-N	302.334	1.157	50	20	DDGD	
CCc1ncncc1C(=O)NNc1cccc(C(=O)OC)c1C	855628512	YJUUNCYOEGUKLK-UHFFFAOYSA-N	314.345	1.891	50	20	DDGD	
CC(C)(C)O[C@@H](C(=O)NNC(=O)c1cc[nH]n1)c1ccccc1	855357689	PEFSMKHWQTURLA-CYBMUJFWSA-N	316.361	1.727	50	20	DDGD	
Cc1cc(N(C)C)ccc1NC(=O)NNC(=O)c1cnccn1	755809894	QAIBQBMEKOIAFP-UHFFFAOYSA-N	314.349	1.318	50	20	DDGD	
Cn1ccc2c(NC(=O)NNC(=O)Cc3ccncc3)cccc21	756316642	PJFHCILIFKRSNJ-UHFFFAOYSA-N	323.356	1.969	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1c(C2CC2)cnn1C)C1CC1	855094435	BQQIOOQRWOBBGX-QMMMGPOBSA-N	307.423	1.205	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNC(=O)COc1ccccc1O	859271332	XDYDDAKPUBLCQL-CYBMUJFWSA-N	310.350	1.124	50	20	DDGD	
CCn1c(S)nnc1CCNC(=O)NCCSSC	854051849	ZUBFNHCLYMTLKX-UHFFFAOYSA-N	321.497	1.440	50	20	DDGD	
CC(C)N1CCC[C@H]1C(=O)NNC(=O)Cc1ccc(Cl)cc1	929332092	CIYCUNGDJVPLBL-AWEZNQCLSA-N	323.824	1.903	50	20	DDGD	
Cn1cc(Br)c(C(=O)NCCCSC#N)n1	854359981	DKQIVLVUFIVMIL-UHFFFAOYSA-N	303.185	1.517	50	20	DDGD	
CN1CC[C@@H]1CNC(=O)NNC(=O)c1cc2ccccc2o1	925414420	NZXNPIXDWOXXDB-LLVKDONJSA-N	302.334	1.081	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cc[nH]n2)c1OC(C)C	855355700	FDRWQLNKYDWIIP-UHFFFAOYSA-N	318.333	1.280	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1CCCC[C@H]1SCC	750677174	WAAAYCBSVNFSNY-WDEREUQCSA-N	303.428	1.418	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@H]1Cc1ccccc1)c1ncccn1	854952591	MSGLDICOWDGLKC-GJZGRUSLSA-N	324.384	1.897	50	20	DDGD	
Cc1nnc2n1C[C@H](C(=O)NNc1ccc(Cl)cn1)CC2	856092637	AOPXULMQOPCXAC-SECBINFHSA-N	306.757	1.341	50	20	DDGD	
CC(C)(C)n1nnc(C=NNC(=O)CCc2ccccc2O)n1	853304722	YABUYNRHLNAYGC-UHFFFAOYSA-N	316.365	1.217	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccn1)C1(O)CCOCC1	857514221	VOLUDXMQNLXLME-UHFFFAOYSA-N	305.256	1.085	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNC(=O)COc1ccccc1OC	858126757	IPHZDUPNKPZPDN-CQSZACIVSA-N	324.377	1.427	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)C(C)(C)C)[C@@H]1CCCOC1	853407036	CGLQHCNRPJHBIW-CYBMUJFWSA-N	311.426	1.848	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC2(C(=O)O)CCC2)cc1F	851654131	QGHBLKGYPRYEIN-UHFFFAOYSA-N	323.324	1.333	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)/C=C/c1cncc(C)c1	854283222	MOWPBDSBXPRHAS-AATRIKPKSA-N	322.434	1.277	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)c1ccc(C)o1)C(F)(F)F	752373567	BYSKRXBICOTCHH-QMMMGPOBSA-N	309.244	1.109	50	20	DDGD	
CNC(=S)N(C)NC(=O)COc1ccc(C(C)C)c(C)c1	854929154	AGPNFCIZDJDORN-UHFFFAOYSA-N	309.435	1.965	50	20	DDGD	
COc1nc2ccccc2cc1C=NNC(=O)Cc1cc(C)[nH]n1	755626658	BQHJRURTGPRMLT-UHFFFAOYSA-N	323.356	1.968	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NN[C@H](C)C(F)(F)F	862313808	OPJCIQSAELMIDX-MRVPVSSYSA-N	312.723	1.924	50	20	DDGD	
C[C@@H](NNC(=O)[C@H]1CCCN1C(=O)C(C)(C)C)C(F)(F)F	862306623	CCAVHUPUMKQTEU-RKDXNWHRSA-N	309.332	1.595	50	20	DDGD	
C[C@@H](CNS(=O)(=O)CC(C)(C)CCl)Cn1cccn1	866511424	CSIDSZILXDLHMH-NSHDSACASA-N	307.847	1.704	50	20	DDGD	
CCC(CC)N1C[C@@H](C(=O)NNc2cccc(C)n2)CC1=O	862523469	FIGMSVOIKZPIJF-LBPRGKRZSA-N	304.394	1.870	50	20	DDGD	
N#CC1=CCN(C(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)CC1	760003985	QYHIRSIUZBYPDW-GOSISDBHSA-N	311.385	1.306	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cc(F)c(OC)cc1F	930354643	KEUVQBPFWNQSEJ-UHFFFAOYSA-N	311.288	1.930	50	20	DDGD	
CCc1nnsc1C(=O)NNc1ncnc2ccsc12	766672935	GJPWLJSOVBDCSJ-UHFFFAOYSA-N	306.376	1.862	50	20	DDGD	
C[C@@H](NNC(=O)CCNC(=O)C1CCCCC1)C(F)(F)F	862308280	BNGWSCVVOFYJFD-SECBINFHSA-N	309.332	1.645	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2ccc([N+](=O)[O-])[nH]2)c1	769057494	WMVPSTKRJKZXOQ-UHFFFAOYSA-N	306.669	1.600	50	20	DDGD	
CCOC(=O)c1ncc(/C=C(/C#N)C(=O)OCCOC)s1	865214623	URFBJSMSKLSGJC-TWGQIWQCSA-N	310.331	1.416	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2cc3n(n2)CCCO3)o1	761661115	BKJOVNNUBICFDN-UHFFFAOYSA-N	316.321	1.406	50	20	DDGD	
CC[C@]1(C(=O)NNc2nccnc2C2CCC2)CCNC1=O	868339223	QVCCTRIWVYYGPU-HNNXBMFYSA-N	303.366	1.104	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@](C)(O)Cc2ccccc2)c1	862476258	NVONGRPCYZUHBW-INIZCTEOSA-N	318.398	1.811	50	20	DDGD	
COc1nccnc1NNC(=O)Cc1ccc(OCC#N)cc1	764470443	ZVSNVQWBZCJJGW-UHFFFAOYSA-N	313.317	1.073	50	20	DDGD	
Cc1cccnc1[C@H]1CCCC(=NNC(=O)[C@@H]2CCC(=O)N2)C1	863153075	MEJCAXRNASAIAF-JSGCOSHPSA-N	314.389	1.798	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)c1cnc2[nH]cnc2c1	764581625	VGAIMHVKAWEXHU-UHFFFAOYSA-N	321.300	1.364	50	20	DDGD	
COC[C@@](C)(NC(=O)[C@H](Br)C(C)(C)C)C(=O)OC	768251254	FZBQSKLBGQBXBM-QPUJVOFHSA-N	324.215	1.490	50	20	DDGD	
O=C(Cc1ccco1)NNC(=O)c1ccc2c(c1)OCCO2	764635725	NGOHFKKMJUUEJN-UHFFFAOYSA-N	302.286	1.055	50	20	DDGD	
CC1=NO[C@@H](CNC(=O)NNC(=O)CCc2ccccc2)C1	875975825	RTSDTKZVKXKMHS-CYBMUJFWSA-N	304.350	1.114	50	20	DDGD	
COCCOCC(=O)NN=C1CC(C)(C)Oc2cc(O)ccc21	872400103	HVIVFDOKQPALBJ-UHFFFAOYSA-N	322.361	1.437	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1ccc(C#N)cc1Cl	872400345	KDAPAHKETZFJJL-UHFFFAOYSA-N	309.753	1.715	50	20	DDGD	
O=C(NN=Cc1cnc2cnccn12)c1n[nH]c2c1CCCC2	1116184491	NESOOTQWMRLNGU-UHFFFAOYSA-N	309.333	1.095	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2c3c(nn2C)CCCC3)cn1	870878543	NUWHUNZBBNMRKP-KPKJPENVSA-N	310.361	1.578	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)N[C@H]1C[C@H](C(=O)O)C1	874425558	FSCFIPVYADJXOF-IZLXSQMJSA-N	303.240	1.593	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc(Cl)c1N	771967603	JADCPALZIOGQOA-SSDOTTSWSA-N	313.741	1.025	50	20	DDGD	
C#Cc1ccc(C(=O)NNc2cccc(S(C)(=O)=O)c2)nc1	776524658	AMMSPWLNNPPCNE-UHFFFAOYSA-N	315.354	1.223	50	20	DDGD	
O=C(O)c1cc(C=NNC(=O)c2ccccc2O)ccc1O	777421307	LHYLFXWWGNPCPB-UHFFFAOYSA-N	300.270	1.560	50	20	DDGD	
Nc1c(O)nc(O)nc1C(=O)NNc1c(F)cccc1Cl	771672449	BCTXLKGHEXQXTK-UHFFFAOYSA-N	313.676	1.019	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C/c1ccc(OC)cc1	771892737	ZCIGTAOUDUSUCP-PFEDMVJOSA-N	320.345	1.198	50	20	DDGD	
Cn1cc(C=NNC(=O)N2CCOCC2)c(-c2ccccc2)n1	771564568	XCWHEHXGMJCVSP-UHFFFAOYSA-N	313.361	1.463	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)C	887149132	KNDKLHMOMWUPJQ-ZDUSSCGKSA-N	323.437	1.514	50	20	DDGD	
C[C@@H](C#N)CNC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	781948533	ARDGZLZMURCNKX-ZJUUUORDSA-N	320.418	1.977	50	20	DDGD	
COc1cccc(NNC(=O)CSc2nncn2C(C)C)n1	780769005	MBLHRBQYZQVHNF-UHFFFAOYSA-N	322.394	1.498	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2CC[C@@H](C)C2)cc1OC	780799983	NLOPOSPUOKGHJW-ZYHUDNBSSA-N	321.377	1.836	50	20	DDGD	
COCC1(C(=O)NNc2c(F)cc(F)cc2F)CCOCC1	885154198	ZSDWGBAAWKBDQV-UHFFFAOYSA-N	318.295	1.990	50	20	DDGD	
Cc1ccc2snc(C(=O)NNC(=O)C3CCOCC3)c2c1	883070994	LTFGMTRBWFUPRO-UHFFFAOYSA-N	319.386	1.792	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)[C@H]1CCCOC1	780041904	ACUGAAUJNGJFGL-AAEUAGOBSA-N	323.368	1.514	50	20	DDGD	
CN(C)C(=O)NN=Cc1cn(-c2ccc(F)c(Cl)c2)nn1	782903779	IRYMUCKZWUBKRG-UHFFFAOYSA-N	310.720	1.665	50	20	DDGD	
C[C@@H]1CN(C[C@@H]2[C@H](C)[C@H]2Cl)C[C@H]1C(=O)N1CCOCC1	895221371	PEFGLMDHWCTPNR-XVIXHAIJSA-N	300.830	1.286	50	20	DDGD	
CC(C)[C@H](OC(=O)/C(C#N)=C\C1CC1)C(=O)N1CCOCC1	786671730	WEEFJAKABOFMIZ-XXYUJHKVSA-N	306.362	1.273	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)CCc2ccccc2)C1	786864700	VLRCWZCJFQOMLF-KGLIPLIRSA-N	317.389	1.058	50	20	DDGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2ncnn2C)cc1	899369248	SHOOHPSXPYGPSL-LFTLCWSBSA-N	311.345	1.608	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)Cc1ccc2c(c1)CCCO2	899998502	QUCWYSGHSZDULD-UHFFFAOYSA-N	321.446	1.848	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ncncc1Cl)Cn1cccn1	780973071	BLUURFMIUOPRGT-VIFPVBQESA-N	309.761	1.289	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)C[C@H]1NC(=O)c2ccccc21	896033862	RGXRFKYXBXUVEH-CQSZACIVSA-N	315.373	1.589	50	20	DDGD	
Cc1ccc2c(c1)C(=O)N(CC(=O)NNc1ncccc1C)C2=O	791220944	OQJJXSVZBPGAKC-UHFFFAOYSA-N	324.340	1.438	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)COc1cc(C)cc(C)c1	792796682	IESSLLQCUSVRGD-CJNGLKHVSA-N	322.405	1.891	50	20	DDGD	
CCOC(=O)NNC(=O)c1nc(Br)ccc1F	792011730	MYMBTOAROUJMII-UHFFFAOYSA-N	306.091	1.374	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Cn2ccc3ccccc3c2=O)n1	790494680	KKGMKZKWMGPIAM-UHFFFAOYSA-N	323.356	1.552	50	20	DDGD	
CSSCCNC(=O)N1CC[C@@H](N2CCCC2=O)C1	790880510	MJFJWKJDLGNPTB-SNVBAGLBSA-N	303.453	1.404	50	20	DDGD	
CCN(CC)C[C@H](C)NC(=O)NNc1nc2ccccn2n1	790252594	CIXVEHAPSWXRDY-NSHDSACASA-N	305.386	1.086	50	20	DDGD	
CC1=CCCN(CC(=O)NNC(=O)c2ccccc2Cl)C1	797996584	KGOIIQFOKSJEJA-UHFFFAOYSA-N	307.781	1.753	50	20	DDGD	
C=C(C)COc1cc(/C=C(/C#N)S(N)(=O)=O)ccc1OC	799894280	QTXHWVDWWUYBCG-SDQBBNPISA-N	308.359	1.803	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NCCSSC)c1	793081380	QIDOVFZPURAKCB-UHFFFAOYSA-N	300.405	1.761	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)C(=O)c1ccccc1	792239057	ZKTHDJUKYGWXLZ-UHFFFAOYSA-N	318.354	1.416	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc2nnc(C(F)F)n2c1	1319189906	IUJUODLDSWSMMI-UHFFFAOYSA-N	309.276	1.228	50	20	DDGD	
C[C@@H](OC1CCCCC1)C(=O)NNc1ncnc2[nH]cnc12	1319166996	HYNHSANBCJULGM-SECBINFHSA-N	304.354	1.534	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1c[nH]nc1C(=O)OCC	1319137214	CHMGFKOCUNDIMQ-FLIBITNWSA-N	320.349	1.036	50	20	DDGD	
O=C(c1cc(F)c(Cl)cc1Cl)N1CC[C@@H](B(O)O)C1	585069357	NROFASQJZLXHPS-ZCFIWIBFSA-N	305.929	1.821	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2cncc(Cl)n2)c(C)n1	1326032974	TYALEHMLYBYBBX-UHFFFAOYSA-N	320.740	1.224	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCC2CCNCC2)cc1	1327322494	AXKHXYPKFZEWHU-UHFFFAOYSA-N	320.393	1.029	50	20	DDGD	
C=C[C@H](COC)NC(=O)NNC(=O)COc1cc(C)cc(C)c1	1338162679	IHXZMENWARTUHV-CYBMUJFWSA-N	321.377	1.214	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N2C[C@H]3C=C[C@H]2C3)C[C@@H]1Br	1338097470	LHCANWXWMPPTQZ-AVWBDOJWSA-N	313.195	1.063	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)NC/C=C/C2CC2)c1	1348061678	IEOGMJCPXIHAJF-ONEGZZNKSA-N	317.389	1.979	50	20	DDGD	
C[C@H](CC(=O)NNc1ccn(C)n1)NC(=O)C1CCCCC1	1261383921	ZWZXWKDCOIOXGQ-LLVKDONJSA-N	307.398	1.338	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H]2COc3ccc(F)cc3C2)cc[nH]1	1348389476	VYEILHKTAGAVRG-LBPRGKRZSA-N	301.321	1.645	50	20	DDGD	
C=C[C@@H](COC)NC(=O)NNC(=O)CCc1ccc(OC)cc1	1342744723	OLCUREYNFXYELA-ZDUSSCGKSA-N	321.377	1.159	50	20	DDGD	
O=C(NNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)c1ccccc1Cl	1346161591	BITOEHSIACYMOZ-OUJBWJOFSA-N	324.764	1.153	50	20	DDGD	
CCOc1ccc(NNC(=O)NCC(=O)N2CCCC2)cc1	1261293036	YKJSYZNGYNSONZ-UHFFFAOYSA-N	306.366	1.334	50	20	DDGD	
O=C(O)c1cc(NNC(=O)c2cnc3n2CCCC3)ccc1F	1602287595	OHINSZMSUDXDOY-UHFFFAOYSA-N	318.308	1.814	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNc2ccccc2C(=O)O)n1	1600597873	IMLWZYCPEIXBMI-SNVBAGLBSA-N	302.334	1.669	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H](C(=O)O)C2CC2)c1C	1605344962	IXUQYCMMUSZPKI-LBPRGKRZSA-N	321.402	1.732	50	20	DDGD	
O=C(O)CCCCC(=O)NNc1ncccc1Br	1608710031	FLNUVJQCJYONST-UHFFFAOYSA-N	316.155	1.932	50	20	DDGD	
CC[C@H](CNS(=O)(=O)c1ccc(CCCl)cc1)C(=O)O	1609921311	UYUHMTSOFSNROL-LLVKDONJSA-N	319.810	1.857	50	20	DDGD	
Cc1c(NNC(=O)c2nnn(C(C)C)c2C)cccc1C(=O)O	1600055493	VBAVEWBSLODVPH-UHFFFAOYSA-N	317.349	1.931	50	20	DDGD	
Cc1cc(COCC(=O)NNc2cccc(C(=O)O)c2C)no1	1600214996	LDIFXWQUIUKUEP-UHFFFAOYSA-N	319.317	1.650	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)C2(C(=O)O)CC2)cc1	1603869389	PREGOFHNLHIMFZ-UHFFFAOYSA-N	323.374	1.268	50	20	DDGD	
O=C(O)[C@]1(C(=O)NNc2cc(C(F)(F)F)ccn2)CCCO1	1605935513	MMGQDIYLPXHZHO-LLVKDONJSA-N	319.239	1.177	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cc(F)c[nH]1	1609558979	YCIJSRSRHDJKED-UHFFFAOYSA-N	322.691	1.139	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=C1CC[C@H](C(=O)O)C1	1601372394	FVKYTYXCXOZZFR-JTQLQIEISA-N	300.318	1.234	50	20	DDGD	
Cc1[nH]c(C(=O)O)c(C)c1C(=O)NNc1ccc([N+](=O)[O-])cc1	1607492907	ZARGXJPVITYTDX-UHFFFAOYSA-N	318.289	1.995	50	20	DDGD	
Cc1ccc2c(c1)CCC2=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549315959	DGVZQUQWQFMUTE-WMLDXEAASA-N	313.401	1.625	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@@H]1C(=O)NN=Cc1ccco1	1549312777	CATZQODKQWXKSF-JSGCOSHPSA-N	302.334	1.631	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@@H]1C=NNC(=O)c1ccc[nH]1	1552451595	FKYAGRRWRRSQCA-YPMHNXCESA-N	301.350	1.632	50	20	DDGD	
C=CC[C@]1(C(=O)NNc2cc(O)nc3ncccc23)CCCN1	1574897162	GUNPMNDIRXHVBQ-MRXNPFEDSA-N	313.361	1.477	50	20	DDGD	
CC(C)C[C@@H](CNC(=O)NNc1ccc(C#N)cn1)C(=O)O	1573510518	DRXYPHHJUGZQJQ-NSHDSACASA-N	305.338	1.326	50	20	DDGD	
C[C@H]1CC2(CCNCC2)CN1C(=O)/C(C#N)=C/c1cnn(C)c1	1576639070	XKPVEVNNDBQLTA-FEZXJWFHSA-N	313.405	1.318	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2C[C@H](C(F)(F)F)CN2)n1	1579589747	ARYOMUHMABIQJA-IUCAKERBSA-N	303.288	1.077	50	20	DDGD	
CN(N)C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1	1573877057	AGPYCBDWMZTSTE-UHFFFAOYSA-N	317.418	1.628	50	20	DDGD	
Cc1cc(Br)cnc1NNC(=O)[C@H](N)CC(C)C	1574128841	YBBQZAXPLJHDNW-SNVBAGLBSA-N	315.215	1.969	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H]1C[C@H]1F)C2	1841668774	ABDHPIRDABXBGO-SDDRHHMPSA-N	316.804	1.955	50	20	DDGD	
O=C(NNC(=O)c1cccc2c1CCNC2)c1ccccc1F	1580736869	ALUCINKUBXDMIG-UHFFFAOYSA-N	313.332	1.546	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)Cn2cccn2)C1	1843090880	QFBWHZCWHRRPQO-LBPRGKRZSA-N	324.812	1.104	50	20	DDGD	
CC(C)n1nccc1NC(=O)NNc1ncccc1C(=O)O	1588988327	CITXOPBZDXQYCT-UHFFFAOYSA-N	304.310	1.706	50	20	DDGD	
CC(C)CN1CCC(C(=O)NNc2ncccc2C(=O)O)CC1	1588870592	QRKWBPMTKQNGMQ-UHFFFAOYSA-N	320.393	1.591	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1c[nH]cc1C1CC1	1593163471	XWHYMUAZXXIHJG-UHFFFAOYSA-N	310.321	1.224	50	20	DDGD	
CC(C)[C@@H](O)C(=O)N1CCCC12CN(C(=O)C(Cl)Cl)C2	1841422995	CPLIDRMASXWZQL-SECBINFHSA-N	323.220	1.010	50	20	DDGD	
CC[C@@H]1[C@@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCN1C	1590862558	MDAVNBDLXSBJAV-QWHCGFSZSA-N	315.381	1.040	50	20	DDGD	
Cc1ccccc1CCC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1592255741	NEGSWWPDQMKCFE-UHFFFAOYSA-N	323.360	1.646	50	20	DDGD	
Cc1ccccc1COCC(=O)NNc1ncccc1C(=O)O	1594418265	PMHQCERBNCIOBT-UHFFFAOYSA-N	315.329	1.748	50	20	DDGD	
CCCCCNC(=O)/C(C#N)=C\c1nc(-c2nn[nH]n2)cs1	1590598378	KMLOYVYKKUNDFS-TWGQIWQCSA-N	317.378	1.537	50	20	DDGD	
CCC(C=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1)CC	1590420379	XJNIKEVZDDBYKK-UHFFFAOYSA-N	316.365	1.784	50	20	DDGD	
CC1(C)CCC[C@@H]1NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1590095295	QCUVNDQMXPFPBF-JTQLQIEISA-N	316.369	1.467	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Cc2ccccc2C(=O)O)c1	1594625012	BDUGIQVFGRYHCR-UHFFFAOYSA-N	323.308	1.260	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)O)c(F)c1)c1ccc(O)c(O)c1	1776058540	QATNZJHEFJEOLI-UHFFFAOYSA-N	318.260	1.699	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)Nc1ccccc1	18178410	RVBNIUIMMJITPA-UHFFFAOYSA-N	323.312	1.390	50	20	DDGD	
C[C@@H]1CC(NC(=O)NNC(=O)c2ccc(C#N)cc2)C[C@@H](C)O1	158120938	JLIRCTUIUYVNOL-GHMZBOCLSA-N	316.361	1.458	50	20	DDGD	
Cc1cccc(-n2cc(C(=O)NNC(=O)c3cccnc3)nn2)c1	158906334	XQPQCVMEDCVSSJ-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCC(C)(C)C2CCCCC2)cn1	152721082	XEEUDCJTSDNUDM-UHFFFAOYSA-N	321.425	1.971	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1ccncc1F	155604785	DRDCFFVZFZCJGY-UHFFFAOYSA-N	318.308	1.102	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)COc1ccc(F)cc1	154890607	BMHZLGGYPKWQLU-UHFFFAOYSA-N	307.325	1.338	50	20	DDGD	
CC(C)C(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1ccccc1	54852165	LLCHZBXGPOILMQ-AWEZNQCLSA-N	317.389	1.485	50	20	DDGD	
C[C@H]1C[C@H]1C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	103523946	QQXVXFIUYYVTKJ-OIBJUYFYSA-N	304.318	1.782	50	20	DDGD	
Cc1ncsc1CNC(=O)NNC(=O)c1ccc(C#N)cc1	103865190	XYYSYXNKTOLNLC-UHFFFAOYSA-N	315.358	1.467	50	20	DDGD	
CC(=O)NNC(=O)CSc1nccn1Cc1ccccc1	25744337	UVCCVVBBEURLCB-UHFFFAOYSA-N	304.375	1.191	50	20	DDGD	
C[S@](=O)CCNS(=O)(=O)c1ccc(CCCl)cc1	134730097	NWFHOAWALMBFGV-QGZVFWFLSA-N	309.840	1.125	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1c(O)cc(Cl)cc1Cl	175216819	PBJXWEKWPOOJNY-UHFFFAOYSA-N	306.149	1.022	50	20	DDGD	
O=C(COc1cccc(Br)c1)NNc1cnccn1	114881902	XMBNTPIOHXXFNN-UHFFFAOYSA-N	323.150	1.761	50	20	DDGD	
C[C@H](Sc1nncn1C)C(=O)NNc1ccccc1[N+](=O)[O-]	56063320	MYRXNNBPDAYCKA-QMMMGPOBSA-N	322.350	1.347	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)Cc1ccncc1)N1CCCCC1	176774498	PHMOGDDFBFUIRF-MRXNPFEDSA-N	318.421	1.282	50	20	DDGD	
Cc1ncc(/C=C/C(=O)NNC(=O)Cc2cccnc2)s1	112245650	CUEJJMCUKDLMFI-SNAWJCMRSA-N	302.359	1.250	50	20	DDGD	
Cc1cnn(CCC(=O)NNC(=O)c2cc3ccccc3o2)c1	177735679	SMXGRRXPBWDRTP-UHFFFAOYSA-N	312.329	1.789	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1cc(F)c(F)cc1F)C(C)C	115719825	RRYGJOGKKPZKOA-NSHDSACASA-N	319.283	1.928	50	20	DDGD	
C[C@H]1CN(CCI)C[C@@H](C)[S@]1=O	306337350	WKKPTHNGESSTHH-IJBDUVHLSA-N	301.193	1.263	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C(F)(F)C2(O)CCC2)c1	305753545	UYJOSJZRTXIQAI-UHFFFAOYSA-N	304.268	1.828	50	20	DDGD	
CSC[C@H](C)C(=O)NNC(=O)Cc1nc2ccccc2n1C	66816593	VGOCMWWUFHGCDO-JTQLQIEISA-N	320.418	1.262	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCNc1ccccc1C	65205867	AHHHUBGAJVSENN-UHFFFAOYSA-N	308.382	1.164	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)NCC(F)F	174381060	IOLVYEATMAQZQX-UHFFFAOYSA-N	307.684	1.558	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@H](C)C#N)c1C	171839852	GHLXXOKISHLPNX-GGNJANJASA-N	314.389	1.934	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2cccc(Cl)c2)n(C)n1	120235032	HVQDNOIQMKXSQK-UHFFFAOYSA-N	321.768	1.718	50	20	DDGD	
COCCOCCC(=O)NNc1ccc([N+](=O)[O-])cc1Cl	125672993	CRMUZOAATJREJV-UHFFFAOYSA-N	317.729	1.744	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)Nc1nc2c(s1)CCCC2	182865144	SVWBSURBSHCYDW-UHFFFAOYSA-N	320.378	1.140	50	20	DDGD	
O=C(NCCc1cc2ccccc2o1)NNC(=O)[C@@H]1CCCO1	120743319	VKKFEXGSDAJJLR-AWEZNQCLSA-N	317.345	1.485	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2cnccn2)c(C)c1	30860697	UGEQPJTZQVJOCK-UHFFFAOYSA-N	301.375	1.725	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cc(Cl)cc(Cl)c1	32262817	AQUZRFSZPPPTPH-JTQLQIEISA-N	303.145	1.933	50	20	DDGD	
CNC(=O)c1cccc(NS(=O)(=O)CCCCCl)c1	184759458	XFGXVMYNVQUPOD-UHFFFAOYSA-N	304.799	1.807	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)NC[C@H](C)C#N)c1	182770890	QWULDMNQCXHZSD-LLVKDONJSA-N	304.350	1.172	50	20	DDGD	
CSCCNC(=S)NNC(=O)/C=C/c1scnc1C	187487600	FSYUHRWRWLQCBU-ONEGZZNKSA-N	316.477	1.323	50	20	DDGD	
C[C@H](CCOc1ccccc1)C(=O)NNC(=O)c1cnn(C)c1	73097216	XXLPWKHXKITTIN-GFCCVEGCSA-N	316.361	1.286	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2c(C)nc3ccccn23)[nH]n1	122602181	ZKSNVLAXIOJNBW-UHFFFAOYSA-N	312.333	1.003	50	20	DDGD	
Cc1ccoc1C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1	31673874	VWRGKRUWSZYIFZ-UHFFFAOYSA-N	322.342	1.066	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccccc1)c1cccc2ncccc12	73455583	QEEMPTPOHXGEEQ-MRXNPFEDSA-N	321.336	1.729	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(-c3ncn[nH]3)cc2)nc1	187474607	DZKOTXDPSPJRCK-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
Cc1nc2c(cc1C(=O)NNC(=O)CC(C)C)c(C)nn2C	43755503	VBJVWLZCPDCNPX-UHFFFAOYSA-N	303.366	1.392	50	20	DDGD	
CC(C)CC[C@@H](C)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1	42999569	TYTKPGDPWAQPQM-DGCLKSJQSA-N	305.444	1.192	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Cn1ccc2ccccc21	81025433	CPCUBDBFYZHXFB-UHFFFAOYSA-N	308.341	1.426	50	20	DDGD	
COCCOCCNC(=O)c1c(C)nn(CCCl)c1C	81292200	NNAFCYOOIGCVRQ-UHFFFAOYSA-N	303.790	1.132	50	20	DDGD	
COc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)c2ccccc2)c1	145308450	FSNVJLSKXKYQGP-UHFFFAOYSA-N	315.285	1.678	50	20	DDGD	
C[C@@H]1CCCN(C[C@@H](C)NC(=O)NNC(=O)c2ccc[nH]2)C1	98030240	BIQRNZBRMZQDGP-VXGBXAGGSA-N	307.398	1.079	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(OC2CCOCC2)c(C)c1	265729809	RUZGCNWTBWWEDR-UHFFFAOYSA-N	323.349	1.945	50	20	DDGD	
COCCCOc1ccc(C(=O)NNC(=O)CC(C)C)cc1	267423317	LFEMDUKVQOSQGY-UHFFFAOYSA-N	308.378	1.909	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])n1	269392518	RPBXMMBGRWUJEI-UHFFFAOYSA-N	319.325	1.605	50	20	DDGD	
CC(=O)NNC(=O)[C@@H](C)Cc1ccc(F)c(Br)c1	268793104	CMSDMFZXAOFIBK-ZETCQYMHSA-N	317.158	1.934	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)O1	268266171	GDGMQEWYFJRQFS-RYUDHWBXSA-N	307.306	1.313	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1cnc2ccsc2c1	267812594	UJTPCQQXFUUBMU-UHFFFAOYSA-N	313.404	1.652	50	20	DDGD	
CCOC(=O)c1scnc1/C=C(/C#N)C(=O)NCCCOC	279953120	BHMYMDRJBWPHIT-YFHOEESVSA-N	323.374	1.379	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1c[nH]c(C(N)=O)c1	274445965	YCDQQWSXSWKSCB-QMMMGPOBSA-N	302.172	1.862	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CC(n2cncn2)C1	368679147	WZKNVANSCZRVHF-SECBINFHSA-N	301.188	1.471	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)cc1	274193510	KIXQHJGFTAMYIB-UHFFFAOYSA-N	307.350	1.743	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)N1CCc2c(Cl)cccc21	274043317	FMWOITNSKRDVMI-UHFFFAOYSA-N	323.780	1.423	50	20	DDGD	
CCCNC(=O)CCC(=O)NNc1cccc(C(=O)OC)c1	272811071	LDGHWOTYSLODOV-UHFFFAOYSA-N	307.350	1.223	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)CSc2ccccc2O)CCO1	271917887	BLXZWQFQVDDUQR-MNOVXSKESA-N	324.402	1.447	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1CCCN1C(=O)c1cccs1	271356258	MLJRNKFZCVOGGS-JTQLQIEISA-N	324.406	1.045	50	20	DDGD	
C[C@H](Sc1nncn1C)C(=O)NNc1cc(Cl)ccn1	272422221	FOFAUIFOXXUGKB-ZETCQYMHSA-N	312.786	1.487	50	20	DDGD	
C[C@H](Sc1ccccc1C(=O)NNC(=O)C1CCC1)C(N)=O	283224011	OHTSDQDKPRPYEL-VIFPVBQESA-N	321.402	1.214	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccnn1)[C@H]1OCCc2sccc21	377398258	JLOJNBFIBJDKOJ-NOZJJQNGSA-N	319.390	1.867	50	20	DDGD	
CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NNc2ccccn2)C1	370348494	LURNESLHJUOEFF-NSHDSACASA-N	322.365	1.161	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)Nc2ccccc2)c1C	283746062	JMKOSNWOWMOCJB-UHFFFAOYSA-N	301.350	1.986	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)C2=CCCCC2)C[C@@H](C)O1	289612357	ULHMXUFXDNYIEN-BETUJISGSA-N	309.410	1.134	50	20	DDGD	
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NNc1cccc(F)n1	287280059	YLROKQQVPDTYLJ-NEPJUHHUSA-N	309.389	1.967	50	20	DDGD	
NC(=O)[C@H]1CC[C@H](C(=O)NNc2ccc(C(F)(F)F)cc2)O1	281107722	HEGTYGYASBKWIW-NXEZZACHSA-N	317.267	1.181	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@@H]1O[C@H](C)C[C@H]1C	282270906	XHOQZEKRFRYBRT-UEKVPHQBSA-N	321.377	1.068	50	20	DDGD	
COC(=O)N(C)NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C	804125431	NFDZLNXWGBSERR-UHFFFAOYSA-N	317.386	1.799	50	20	DDGD	
O=C(NCCCN1CCCCC1)NNC(=O)c1ccccc1F	298778797	UCEYZOLTNOISBV-UHFFFAOYSA-N	322.384	1.646	50	20	DDGD	
CCOc1ccc(NNC(=O)C(=O)c2cnn(CC)c2)cc1	294344843	MWDNVRWAWGCJSN-UHFFFAOYSA-N	302.334	1.628	50	20	DDGD	
C[C@H]1CSC[C@H]1NC(=O)NNC(=O)CCc1ccccc1	805790712	DDTLVTRJQMZBAM-WCQYABFASA-N	307.419	1.701	50	20	DDGD	
CCC[C@H](C)CC(=O)NNC(=O)[C@H]1COc2ccccc2O1	299508790	MDBBMYWHZTYMHO-SMDDNHRTSA-N	306.362	1.800	50	20	DDGD	
CC(C)Oc1cccc(CC(=O)NNC(=O)N2CCOCC2)c1	299407644	YFAYJIPOIRCDEC-UHFFFAOYSA-N	321.377	1.089	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2cc(C)cc(Cl)n2)n1	800733030	HXEPOKMYBXLDBG-UHFFFAOYSA-N	322.756	1.668	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)Cn2cccn2)c1	802110925	AEYKPGCDSLNUPS-UHFFFAOYSA-N	323.740	1.398	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H](C)CN(C)C(C)C)cc1	291277615	RUOZHNMPTVSQLV-CYBMUJFWSA-N	320.437	1.922	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)CCC(C)(C)C)c(O)c1	290678701	PVHCDGBMEFUQKY-UHFFFAOYSA-N	314.407	1.701	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c(C)o1	292589642	BHKPWCYXAMEERS-XRRVDJEJSA-N	318.329	1.180	50	20	DDGD	
CCNC(=O)NCCNC(=O)/C(C#N)=C\c1ccc(F)cc1	293953083	HUSGZLUUIAIBFZ-XFXZXTDPSA-N	304.325	1.168	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H]2CCCCN2C(C)=O)cc1	294407005	QXLSGXBVKLOHDC-HNNXBMFYSA-N	305.378	1.929	50	20	DDGD	
O=C(Cc1ccc(Cl)s1)NNC(=O)N=c1cc[nH]cc1	802028541	BLDJUTSWCKVEHI-UHFFFAOYSA-N	310.766	1.614	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(Br)o1	814818165	HDLYIPAFGALPRS-UHFFFAOYSA-N	304.144	1.712	50	20	DDGD	
O=C(Cc1ccccc1)NCC(=O)NNc1cccc(Cl)n1	817010969	ZSKHSSNCERLKFO-UHFFFAOYSA-N	318.764	1.537	50	20	DDGD	
CN(NC(=O)[C@@H](c1ccccc1F)N1CCOCC1)C1CC1	819648953	YTQVLDZWUHEZFR-OAHLLOKOSA-N	307.369	1.324	50	20	DDGD	
COCc1ccc(CNC(=O)NNc2ncncc2F)cc1	814277890	YEZGMYFNBVXDIT-UHFFFAOYSA-N	305.313	1.588	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=C[C@@H]2CCCOC2)c1	814802237	XTXOUXJRVPMWRP-NSHDSACASA-N	310.375	1.232	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)c1c(C)nc2ccccn12	811630444	JCPWYHUSJRCHBP-LBPRGKRZSA-N	313.361	1.417	50	20	DDGD	
CC(=NNC(=O)CCc1ccccc1O)c1cc(CO)on1	812225724	OFXRGAKQUPMEIZ-UHFFFAOYSA-N	303.318	1.346	50	20	DDGD	
CC(=NNC(=O)N=c1cc[nH]cc1)c1ccc(CC(=O)O)cc1	815000951	RPSKREMMACMMCF-UHFFFAOYSA-N	312.329	1.676	50	20	DDGD	
COc1ccc2c(c1)OC[C@H](C(=O)NNC(=O)CC1CC1)C2	819136020	JJMDPXYABISBKE-GFCCVEGCSA-N	304.346	1.194	50	20	DDGD	
COc1cc(Cl)ccc1C(C)=NNC(=O)C(=O)NC1CC1	817322535	BLPDKWDDERTPOM-UHFFFAOYSA-N	309.753	1.467	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1ccc(C#N)cc1	497011441	PPOBXRNONKYGHP-UHFFFAOYSA-N	304.306	1.053	50	20	DDGD	
C[C@H](CS(C)(=O)=O)N(C)C(=O)/C(C#N)=C/c1ccc(O)cc1	490910062	PSQLDQIIFOAZQS-KAQJVSAMSA-N	322.386	1.191	50	20	DDGD	
CN(C)CC(=O)NN=Cc1cc([N+](=O)[O-])ccc1OC(F)F	727647668	BOCKGMCZDPJRPH-UHFFFAOYSA-N	316.264	1.208	50	20	DDGD	
COCCN(C)NC(=O)[C@H](C)C1CN(C(=O)OC(C)(C)C)C1	496970978	ZJEQGSUSYKSVQT-LLVKDONJSA-N	315.414	1.099	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNc1nc2ccccn2n1)C(C)C	822392336	ZESKOGXLUGMYRM-NSHDSACASA-N	305.338	1.008	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@@H]1CCN(c2ccccc2)C1	826614916	AFMVITYIZYEJBM-OAHLLOKOSA-N	324.384	1.298	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1	491174583	HXAALTUKLZSFSP-KHPPLWFESA-N	319.321	1.399	50	20	DDGD	
CC(=O)NNC(=O)[C@H](C(C)C)[C@H](C)NC(=O)OC(C)(C)C	495936559	RTWSFJFUNHUHKI-GXSJLCMTSA-N	301.387	1.339	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCC(C)(C)c1ccncc1	826822603	ATUQRZWLKJYPGS-AAEUAGOBSA-N	320.393	1.115	50	20	DDGD	
CCN(CCO)NC(=O)[C@H](C(C)C)N1Cc2ccccc2C1=O	823893283	CSNPONOOJIFTMA-HNNXBMFYSA-N	319.405	1.012	50	20	DDGD	
CC(C)n1c(O)nc2ccc(C(=O)NN(C)[C@H](C)CO)cc21	823912599	INPQCKLDHFYEDT-SNVBAGLBSA-N	306.366	1.280	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)CC(N)=O)cc1	491177092	UHJHJQSPXKIXAA-GJSJWPQCSA-N	301.346	1.372	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N(CCCO)Cc2ccccc2)cn1	491005415	BAOBHZBQFVOLOY-YVLHZVERSA-N	324.384	1.738	50	20	DDGD	
CCN(CCO)NC(=O)c1cnn(-c2cc(C)ccc2C)c1C	823869588	LXZUVLYTBNOPBV-UHFFFAOYSA-N	316.405	1.757	50	20	DDGD	
CC(C)CN(CC(C)(C)C)C(=O)c1ccc(B(O)O)c(F)c1	584959562	IQSZBLUOUXFUPL-UHFFFAOYSA-N	309.190	1.650	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2ccccc2F)C[C@H]1Br	905088954	AMFWXDUBYVWCNZ-SKDRFNHKSA-N	315.142	1.760	50	20	DDGD	
Cc1ccccc1C1(C(=O)N2CC[C@H](B(O)O)C2)CCCC1	585066721	MWVCCDZDFPFVCM-AWEZNQCLSA-N	301.195	1.882	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)/C=C\c2cccc(O)c2)nc1	493739903	MQEOMMRPSPTHRJ-YVMONPNESA-N	313.313	1.730	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCCCCNc2ccccn2)cn1	491049927	ODTVAJWARCZHDF-GDNBJRDFSA-N	324.388	1.731	50	20	DDGD	
O=C(NC1[C@H]2CC3C[C@H]1CC(F)(C3)C2)c1cccc(B(O)O)c1	584987153	RBWFSDRWLGNJDN-WYZMOISSSA-N	317.169	1.013	50	20	DDGD	
CCOC(=O)c1nc(NC(=O)[C@@]2(C)C[C@@H]2Br)c[nH]1	907714849	LHIJCUBFMBFGET-KGFZYKRKSA-N	316.155	1.698	50	20	DDGD	
C[C@@H](CNCc1ccccc1B(O)O)COCc1ccccc1	585018668	OHQKQPWNTIPKFD-HNNXBMFYSA-N	313.206	1.309	50	20	DDGD	
CS[C@@H]1CN(C(=O)[C@]2(C)C[C@H]2Br)C[C@@H]1N(C)C	907146009	JBGYQSLQHIBKFG-BTQIBKBOSA-N	321.284	1.664	50	20	DDGD	
COCC[C@]1(NC(=O)/C(C#N)=C\c2ccc(O)cc2)CCOC1	491106493	SLSLRJMASDCNSM-QXSWTLKVSA-N	316.357	1.611	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cn1	491101697	FXCRBEHRRCRUOP-KAPIFWPJSA-N	308.385	1.998	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1c(C)noc1C	825615193	MEFSDAUBVWMMDU-UHFFFAOYSA-N	318.333	1.173	50	20	DDGD	
CN(C)CCC1CCN(C(=O)/C(C#N)=C/c2cnn(C)c2)CC1	491046554	HIGMTCXAKLWHJD-MHWRWJLKSA-N	315.421	1.517	50	20	DDGD	
CC(C)(C)OC(=O)N(CC(=O)NNC(=O)c1ccc[nH]1)C1CC1	493921973	AFRXQJMEHWALPK-UHFFFAOYSA-N	322.365	1.175	50	20	DDGD	
COc1ccccc1C(=O)NN[C@@H](C(=O)O)c1ccc(F)cc1	738116267	RCMATKLFMLDEMA-CQSZACIVSA-N	318.304	1.895	50	20	DDGD	
COc1cc(C)c(C(C)=NNC(=O)N2CCOCC2)cc1OC	731313793	LLDUPJCZAPYPNU-UHFFFAOYSA-N	321.377	1.778	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@H](C)Oc2cccnc2)o1	735467526	ZOPSRSFECORJIW-JTQLQIEISA-N	315.333	1.975	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(C)cc1C	730576662	UGDPJJZLUNGFGJ-CYBMUJFWSA-N	308.403	1.578	50	20	DDGD	
CC(=O)N1CCC[C@H](CNC(=O)[C@@]2(C)C[C@H]2Br)C1	907891887	HJHVGAYLMIFWGA-WZRBSPASSA-N	317.227	1.535	50	20	DDGD	
Cc1nc(CCC(=O)NNC(=S)NC(C)(C)C)cs1	733368634	QLVVMODQXJMXGC-UHFFFAOYSA-N	300.453	1.678	50	20	DDGD	
CO[C@@H]1CC(=NNC(=O)c2cncc(NC(C)=O)c2)C12CCC2	834964633	FLJRZQYOSSCGRU-CQSZACIVSA-N	316.361	1.715	50	20	DDGD	
CC[C@@H](COCC(F)(F)F)NC(=O)NNC(=O)C1CCC1	836532414	RWHBSBRSNRPDGZ-VIFPVBQESA-N	311.304	1.474	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C1CC(NC(=O)OC(C)(C)C)C1	495589624	POVRXPGEIIZLLJ-UHFFFAOYSA-N	307.354	1.491	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)NCc1cocn1	732999484	WPWFECXTAKNTEC-UHFFFAOYSA-N	323.740	1.542	50	20	DDGD	
C[C@H](O)CN(Cc1ccccc1)C(=O)/C(C#N)=C/c1cnn(C)c1	491128817	FODLRBXVIVEGNE-WZCGUGGKSA-N	324.384	1.737	50	20	DDGD	
CON1CCC(=NNC(=O)COc2ccc(C#N)cc2)CC1	834921581	HNRKNPLGESSADP-UHFFFAOYSA-N	302.334	1.066	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)[C@@H]1CCCCO1)C(=O)c1ccccc1	833251091	QETCWBXZULRPJG-JSGCOSHPSA-N	318.373	1.612	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNc2cccc(C(=O)OC)c2)CC1=O	839721174	KCLBEUREWJYWHB-LBPRGKRZSA-N	319.361	1.175	50	20	DDGD	
C[C@@]1(C(=O)NCC2(CS(C)(=O)=O)CC2)C[C@@H]1Br	906903275	QPCVFHZWKBZUGW-WCBMZHEXSA-N	324.240	1.101	50	20	DDGD	
CC1(C)CN(C(=O)c2cccc(B(O)O)c2)C[C@H]1c1ccccc1	584966114	UXXQXQNYPYWDOW-KRWDZBQOSA-N	323.201	1.632	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNc1nc(-c2ccccc2)no1	732285129	SJSAWHNLRLSKEK-LBPRGKRZSA-N	301.350	1.664	50	20	DDGD	
O=C(C(c1ccccc1)c1ccccc1)N1CC[C@H](B(O)O)C1	585071863	CBLWZOYHLLTODA-INIZCTEOSA-N	309.174	1.894	50	20	DDGD	
COc1ccc(CNC(=O)NNc2cccnn2)cc1OC	736367637	MGCMTEAGNFCMOI-UHFFFAOYSA-N	303.322	1.320	50	20	DDGD	
O=C(CSC1COC1)NNC(=O)c1cccc(Cl)c1	901642733	NYSJKAXALPBXAO-UHFFFAOYSA-N	300.767	1.233	50	20	DDGD	
CC[C@H](Cc1ccccc1C)C(=O)NNC(=O)c1ncon1	832830345	NFSPGNRAWHJQIW-LLVKDONJSA-N	302.334	1.408	50	20	DDGD	
C[C@@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1)n1cncn1	736225572	YMQVEYIULWZAFW-ZETCQYMHSA-N	306.234	1.051	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@]2(C)CCCCO2)c(OC)c1	837400568	TWPZOTPJJFFEDN-MRXNPFEDSA-N	322.361	1.424	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NNc1ccc(C)cc1Cl	836937128	XBZYRRWDFFVWIT-UHFFFAOYSA-N	304.799	1.916	50	20	DDGD	
CCc1nc2ccc(NC(=O)NNC(=O)COC)cc2s1	832012912	CKKNMGUWJWCEQA-UHFFFAOYSA-N	308.363	1.658	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2ccc(C(=O)O)[nH]2)cc1	832951694	UKOIJDQIDAXPIT-UHFFFAOYSA-N	301.302	1.550	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1ccnc(C2CC2)n1	732659113	REDSZZCOZPNRQG-UHFFFAOYSA-N	323.316	1.556	50	20	DDGD	
O=C(COC[C@@H]1CCCO1)NNc1cc(C(F)(F)F)ccn1	832962488	BDFQRFOKVFGLTH-JTQLQIEISA-N	319.283	1.739	50	20	DDGD	
Cc1ncccc1C=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	737502947	PPVUVMHXYZFOER-UHFFFAOYSA-N	307.317	1.334	50	20	DDGD	
C=C[C@H]1CCCCN1CC(=O)NNC(=O)c1ccc(C#N)cc1	839585522	IXCNFRSHTFKRCS-HNNXBMFYSA-N	312.373	1.360	50	20	DDGD	
O=C(NNC(=O)c1cc(F)cc2nc[nH]c12)c1ccccc1F	918278521	ZVNIKMCSNPAXTP-UHFFFAOYSA-N	316.267	1.916	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NNc1ncc(F)cc1F	837207283	RLZQRUMYMLETOW-SCZZXKLOSA-N	301.293	1.387	50	20	DDGD	
CN(C)Cc1ccc(C(=O)NNc2ccnc(N(C)C)n2)cc1	740102897	QTVLMFDPHLBEFB-UHFFFAOYSA-N	314.393	1.361	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@@H](C)CCCCN)c1	841996788	UNMHWWRQLAEMGC-ZDUSSCGKSA-N	322.409	1.222	50	20	DDGD	
O=C(NCCn1cncn1)NNc1cc(F)c(F)c(F)c1	746760890	HWSSRHOBUKVXSK-UHFFFAOYSA-N	300.244	1.022	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N[C@@H]1CCC[C@@H](N)C1)c1ccccc1	841980803	HDYSVXRKTYEMJL-ZIAGYGMSSA-N	318.421	1.565	50	20	DDGD	
COCC(CC(C)(C)C)=NNC(=O)[C@@H](C)CN1CCOCC1	844569998	UNSQMPZONIRCJG-ZDUSSCGKSA-N	313.442	1.510	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(OC(C)(C)C)cn1	843657109	BZFXDRYQZZVCQH-PWSUYJOCSA-N	321.377	1.445	50	20	DDGD	
COc1cccc(NCC(=O)NN=Cc2cc(C)n(C)n2)c1	841613821	BCOMGSJLXXEDFV-UHFFFAOYSA-N	301.350	1.299	50	20	DDGD	
CCCc1c(C(=O)NN(C)C[C@@H](C)O)[nH]c(C)c1C(=O)OC	910170466	LWVFDSOIEGJCAF-SECBINFHSA-N	311.382	1.020	50	20	DDGD	
CC[C@H](C)NC(=O)CCNC(=O)NNc1ccc(F)c(F)c1	914268866	JPVISUKSBMLYKP-VIFPVBQESA-N	314.336	1.896	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H](CN)CC(C)C)c1	841954321	QLFURYNMTSJLLO-CYBMUJFWSA-N	308.382	1.473	50	20	DDGD	
CCOc1ccc(C(=O)CCC(=O)NN(C)C[C@@H](C)O)cc1	910182851	LYVCWARNNOEYKB-GFCCVEGCSA-N	308.378	1.392	50	20	DDGD	
CO[C@](C)(C1CC1)[C@H](C)NS(=O)(=O)CBr	841561684	SOTBDPHEBKASCN-CBAPKCEASA-N	300.218	1.462	50	20	DDGD	
C[C@@H]1CN(C[C@@H](C)C(=O)NN=Cc2ccccc2)C[C@@H](C)O1	916372277	PPKFWEZDSAVZJW-RBSFLKMASA-N	303.406	1.882	50	20	DDGD	
CN1C[C@@H]2CCCN(C(=O)[C@@]3(C)C[C@H]3Br)[C@@H]2C1	911301982	GFRCHLVYHJXGOH-WGBDABJCSA-N	301.228	1.713	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cncc(C(F)(F)F)c1	843658764	VNFBTQJVEWYFAO-GMSGAONNSA-N	317.267	1.286	50	20	DDGD	
COCC1(CC(=O)NNc2nc(-c3ccccc3)no2)CC1	843794513	RGKXFXSPKOCKIW-UHFFFAOYSA-N	302.334	1.996	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@H](F)C(F)(F)F)cc1	846376201	UOJCOOQNKDQLMS-JTQLQIEISA-N	308.231	1.746	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1cccc([N+](=O)[O-])c1	843657915	QKRAVSMQYODICZ-CWSCBRNRSA-N	321.333	1.271	50	20	DDGD	
CC1=NO[C@H](C(=O)NNC(=O)c2cc(C)nc3ccccc23)C1	847048593	XRUFRMOHNWYDIF-AWEZNQCLSA-N	312.329	1.469	50	20	DDGD	
CC(C)(C)n1nnc(CNC(=O)NNc2ccccc2Cl)n1	847419731	ZTAKTZLTHWOJMI-UHFFFAOYSA-N	323.788	1.908	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cccc2cccnc12)[C@@H](C)O	842230653	XFXQTOZQKSVGTK-PWSUYJOCSA-N	301.346	1.403	50	20	DDGD	
Cc1cc(C)c(OCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(C)c1	843645831	IMKABQSLGRCUDW-KGLIPLIRSA-N	320.389	1.563	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CSCCCO)cc1C	840211050	AQMVXIIXLMNHET-UHFFFAOYSA-N	316.448	1.496	50	20	DDGD	
Cn1cc([N+](=O)[O-])cc1C(=O)NNc1ccc([N+](=O)[O-])cc1	747986532	RXDDVWKKFLTASJ-UHFFFAOYSA-N	305.250	1.598	50	20	DDGD	
Cc1nccn1CCNC(=O)NNC(=O)c1ccc(Cl)cc1	749214875	IQJQAYIBWAONEG-UHFFFAOYSA-N	321.768	1.489	50	20	DDGD	
O=C(NCC1CCNCC1)NNC(=O)c1cc2c(s1)CCC2	841923953	RRCPWTXKWSXDES-UHFFFAOYSA-N	322.434	1.180	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2ccc(-n3cccn3)nn2)CS1	840415862	ITMWGUWVGFIJBG-ZJUUUORDSA-N	319.394	1.182	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C2(C(C)C)COC2)cc1	929289582	RGDVTEDNKLPFPD-UHFFFAOYSA-N	306.362	1.194	50	20	DDGD	
COc1nc2sccn2c1C=NNC(=O)[C@H]1CCO[C@H]1C	842560742	YXMOWKSOBQSFGZ-IUCAKERBSA-N	308.363	1.280	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc2ccncc2s1	843662114	RIAFBNARHQBGSD-SCZZXKLOSA-N	305.359	1.482	50	20	DDGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)[C@H]1CC(=O)N(C2CC2)C1	842243429	CLLMXIRHYGSXIR-QMMMGPOBSA-N	322.296	1.188	50	20	DDGD	
COc1ccc(NCC(=O)NN=Cc2cnc3ncccn23)cc1	755489758	WVESSTDJVPCCGN-UHFFFAOYSA-N	324.344	1.300	50	20	DDGD	
CCc1c(C(=O)NNc2nnc(C)c(O)n2)cnn1CC(C)C	756752094	ZHTCBSWLPQHZFJ-UHFFFAOYSA-N	319.369	1.057	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC2COC(C)(C)OC2)c1	758728495	SIFUROTXUADKAF-UHFFFAOYSA-N	323.349	1.251	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H]2CCCN2CC(F)F)nn1	858746518	BJQSJYMLJLSPKA-JTQLQIEISA-N	314.340	1.141	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN[C@H](c1cccs1)C1CC1	754121190	AJUOLXYLPZSXBA-ZDUSSCGKSA-N	309.435	1.982	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C=NNC(=O)[C@H]1CCCOC1	853360130	VXPYPLRHOJUJSU-KCQAQPDRSA-N	320.393	1.416	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCCN1CCOCC1	754548065	BOXTWEJULVARGA-KAMYIIQDSA-N	302.330	1.175	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)CN2CCCC2=O)sc1C	920824753	BTUCMCRAOSCTBI-UHFFFAOYSA-N	323.418	1.392	50	20	DDGD	
C[C@@H]1CN(C2CC2)CC1=NNC(=O)COCc1ccccc1	755892329	TWUJFHLHNQSVCS-CYBMUJFWSA-N	301.390	1.790	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCOCc1ccc(OC)cc1	854923838	KTMDRRCPGMTKNR-UHFFFAOYSA-N	311.407	1.069	50	20	DDGD	
CCCC[C@@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)C(C)C	857152087	QDDYBSHGGZJCFP-GFCCVEGCSA-N	320.393	1.630	50	20	DDGD	
COc1ccccc1NCC(=O)NNc1nccnc1OC	857540225	ZWWYBGZFZDKCQU-UHFFFAOYSA-N	303.322	1.049	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1nc[nH]c1C(F)(F)F	854997279	BXRCNLAGYWKVHS-UHFFFAOYSA-N	304.150	1.142	50	20	DDGD	
CN1CCCC(=NNC(=O)Cc2nc3ccccc3n2C)CC1	758098508	BRNPVYFEZPYQDE-UHFFFAOYSA-N	313.405	1.704	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NC[C@H]1CCS(=O)(=O)C1	853295044	NEVQBTSRGYAQDK-SNVBAGLBSA-N	315.370	1.195	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(C)c(Cl)cc1OC	755409378	ASYAKWGNYOXFTR-UHFFFAOYSA-N	315.757	1.846	50	20	DDGD	
CCn1cc(S(=O)(=O)NC[C@@]2(C)C[C@H]2Br)cn1	856756187	LEYRNXRPHOVXDH-NXEZZACHSA-N	322.228	1.355	50	20	DDGD	
O=C(Cc1ccc2c(c1)COC2)NNC(=O)c1ccccc1F	754008910	IREPKUYXTLMQNW-UHFFFAOYSA-N	314.316	1.860	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@H](O)CCc1ccccc1)C1CC1	855099438	ZDZBHYVSRTUHKM-BXUZGUMPSA-N	321.446	1.274	50	20	DDGD	
Cc1nnnn1-c1ccc(C(=O)NCCCSC#N)c(F)c1	854367844	ZSGJEZWAVHLUSX-UHFFFAOYSA-N	320.353	1.444	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@]1(C)CCOC1	754017163	BCVMIXQLVXQPHF-ZUZCIYMTSA-N	310.325	1.167	50	20	DDGD	
CSc1nsc(NC(=O)NNC(=O)c2ccccn2)n1	757595342	BFKPQAGXHSISGT-UHFFFAOYSA-N	310.364	1.122	50	20	DDGD	
Cc1cccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1Cl	860720311	XFILQMPRRIDAKK-VIFPVBQESA-N	310.741	1.080	50	20	DDGD	
C[C@H](CCc1ccc(F)cc1)C(=O)NNC(=O)N1CCOCC1	865046267	HQAHSXPNMRAXEQ-GFCCVEGCSA-N	323.368	1.467	50	20	DDGD	
Cc1ccccc1[C@H](C)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	936039177	JWZANXSSXYOGBE-KBPBESRZSA-N	324.446	1.591	50	20	DDGD	
O=C(COC(=O)c1ccoc1)NNC(=O)c1cccc(Cl)c1	760904455	BFUKHYBQOWMCGS-UHFFFAOYSA-N	322.704	1.551	50	20	DDGD	
CCO[C@H]1CCCC1=NNC(=O)CNC(=O)c1cccs1	766448534	XXRISCXWCNKIHH-NSHDSACASA-N	309.391	1.539	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NC[C@@H](O)C1CCOCC1	768282033	USIAGJOUABFJEO-MNOVXSKESA-N	322.243	1.700	50	20	DDGD	
CC/C(=C\C(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(C)cc1	862454816	BJYQOQVCJXQBDS-WONIAPNHSA-N	315.373	1.214	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNC(=O)OCC(F)(F)F)n1	869281817	MEWJLPHGNCWCIS-ZETCQYMHSA-N	308.260	1.147	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@@H]1CCN(C(N)=O)C1	768125147	NDNJUTLZOKXFAQ-SFYZADRCSA-N	306.204	1.065	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCSC2)cc1C	762132442	UWYGYHUQFQJRMB-LLVKDONJSA-N	321.402	1.142	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccccc1OCCF	931587004	UWKOHKOODYZYDY-UHFFFAOYSA-N	307.325	1.991	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)c1cnc2n1CCC2	862288623	IAORYFFLIOLIDF-UHFFFAOYSA-N	314.345	1.743	50	20	DDGD	
COC[C@](C)(NC(=O)[C@@H](Br)C(C)(C)C)C(=O)OC	768251252	FZBQSKLBGQBXBM-PELKAZGASA-N	324.215	1.490	50	20	DDGD	
C/C=C/C=C\C(=O)OCC(=O)NNC(=O)Cc1ccccc1C	767255824	FMIIFXUIRPSRSV-STMOGGTPSA-N	316.357	1.360	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)CNC(=O)c2cccnc2)C1(C)C	763194471	IVHBQFSTPKEZQM-ZDUSSCGKSA-N	318.377	1.119	50	20	DDGD	
CC(C)C(=O)NCCCNS(=O)(=O)CC(C)(C)CCl	867015227	BWGAVHJHSBYGMQ-UHFFFAOYSA-N	312.863	1.333	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=O)CC(F)(F)F)cc1F	765836862	HRFKZGHDEGGUNK-UHFFFAOYSA-N	321.230	1.498	50	20	DDGD	
O=C(NNC(=O)c1cnc2[nH]cnc2c1)c1cccc(Cl)c1	763284772	WMZHSRADWAJACV-UHFFFAOYSA-N	315.720	1.686	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)C1Cc2ccccc2C1	761830259	FMBSYQLUGJWRJV-UHFFFAOYSA-N	321.340	1.990	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@@H](C)c1nccs1	1118126419	OIOPPVOYXCZASJ-UTLUCORTSA-N	312.395	1.002	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCSC1)c1nc2ccccc2s1	874913512	NJTKMONCYFICRM-QMMMGPOBSA-N	307.400	1.810	50	20	DDGD	
CCc1c(C(=O)NNC(=S)Nc2ccccn2)cnn1C	768578811	JTVMLFKBOQUDKE-UHFFFAOYSA-N	304.379	1.009	50	20	DDGD	
Cc1cccc(NNC(=O)NC2CCN([C@@H]3CCOC3)CC2)n1	875748672	RTWKETYUPQBDNT-CQSZACIVSA-N	319.409	1.269	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNc3ncc(F)cn3)n[nH]2)o1	760929909	VUWXKZSEUVBQLY-UHFFFAOYSA-N	302.269	1.664	50	20	DDGD	
Cn1ccc(NNC(=O)c2cc(Br)ccc2O)n1	1116852669	QFWZSYGNJJVJJZ-UHFFFAOYSA-N	311.139	1.645	50	20	DDGD	
O=C1OC[C@@H]2CN(C[C@@H](CBr)C3CC3)CCN12	1328757049	VTGMEVWSDNGDNW-MNOVXSKESA-N	303.200	1.544	50	20	DDGD	
COCCN(CC(=O)NNC(=O)c1cccc(C)c1)CC(C)C	777557382	HMQYAEWYSDFRAD-UHFFFAOYSA-N	321.421	1.360	50	20	DDGD	
CO[C@@](C)(C(=O)NNc1cc(Cl)nc(N)n1)c1ccccc1	773867828	WSGUKRUVXSGLHF-CQSZACIVSA-N	321.768	1.717	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cc(OC)c(OC)cc1F	878654116	MZHSJIZGEIYIEL-UHFFFAOYSA-N	301.274	1.578	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1cnc2nccnc2c1	774773646	HXSCWYUKUUDDOM-UHFFFAOYSA-N	317.312	1.725	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1cc(Cl)cc(C)c1O	872400851	VHSUFKJURSDGBX-UHFFFAOYSA-N	314.769	1.857	50	20	DDGD	
CCC(F)(F)C(=O)NNC(=S)Nc1ccc(OC)nc1	874955208	LODYWZZVGHXISE-UHFFFAOYSA-N	304.322	1.453	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c(C)n1	777274038	HPGLJLGRFUVVHI-UHFFFAOYSA-N	323.356	1.578	50	20	DDGD	
CCCCn1cc(C(=O)NNC(=O)CC(F)(F)F)c(C)n1	770220016	AMRCSGIABIQHTP-UHFFFAOYSA-N	306.288	1.705	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N(CC(F)F)C1CCC1	884438787	KVNSNEISIUVPBN-WCBMZHEXSA-N	305.325	1.272	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCOc2ccc(C)c(C)c21	779821260	QXYHHVJKHBFBDV-UHFFFAOYSA-N	305.334	1.262	50	20	DDGD	
C[C@H]1CCN(Cc2ccccc2)CC1=NNC(=O)CN(C)C	776181724	ZLOIAGBISRNKGV-AWEZNQCLSA-N	302.422	1.562	50	20	DDGD	
CCC[C@@H](C(=O)NNC(=O)c1cccn1C)c1ccccn1	774325288	WHLIADZUQRCLDQ-GFCCVEGCSA-N	300.362	1.765	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)c2nccs2)cc1	772952841	GUXMAUSYURUHQM-UHFFFAOYSA-N	305.363	1.676	50	20	DDGD	
COc1nc(C)ccc1C(=O)NNC(=O)c1ccccc1O	777520558	DKBGOESVGVORQZ-UHFFFAOYSA-N	301.302	1.179	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1cccc(CC)c1	1121018851	LCRZSONCQJPUPE-UHFFFAOYSA-N	301.346	1.138	50	20	DDGD	
CCNC(=O)CCCC(=O)NNc1ccccc1C(=O)OC	777828951	XPBPZKBSOSULDT-UHFFFAOYSA-N	307.350	1.223	50	20	DDGD	
CCOC(=O)C1(CC(=O)NNC(=O)CC(F)(F)F)CCC1	789167253	BLHVUHIWNQPSEO-UHFFFAOYSA-N	310.272	1.210	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNC(=O)C2CCCC2)ccc1F	782117990	VBHIRGATXSVNEX-UHFFFAOYSA-N	323.324	1.110	50	20	DDGD	
CN(C)CCc1ccccc1NC(=O)NNC(=O)c1ccc[nH]1	782903450	XQLWJGYVYJBMAQ-UHFFFAOYSA-N	315.377	1.585	50	20	DDGD	
C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)CCCCl	881981976	PEDULMKPVULFJN-UPJWGTAASA-N	310.891	1.901	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2c(C)noc2C)cc1	783037614	STEVFHFUEOSDRB-UHFFFAOYSA-N	304.306	1.382	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cc2ccc(Cl)cn2)nc1	786465217	HYNHNLJNQIUJCE-UHFFFAOYSA-N	320.736	1.602	50	20	DDGD	
C#CCSCC(=O)NNC(=O)COc1cc(C)cc(C)c1	899939552	SVAWBWPBRQEDSN-UHFFFAOYSA-N	306.387	1.196	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C2CCCC2)nnn1CC1CCCC1	788739841	ZWEYRHRODIHHNS-UHFFFAOYSA-N	319.409	1.728	50	20	DDGD	
C=C[C@@H](CC)CC(=O)NNC(=O)CCNC(=O)OC(C)(C)C	897686634	ITYXEOIXCBKUBZ-NSHDSACASA-N	313.398	1.651	50	20	DDGD	
N#Cc1cccc(NNC(=O)CN2CCc3ccccc3C2=O)c1	789994244	PRHOZIXZTDLDEG-UHFFFAOYSA-N	320.352	1.700	50	20	DDGD	
Cc1cc(C)n2nc(NC(=O)NNc3ncccc3F)nc2n1	796595178	WTWTWJBEWSTKTM-UHFFFAOYSA-N	316.300	1.424	50	20	DDGD	
CSSCCNC(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O	790881460	DTWBPNQLPIJKSD-IUCAKERBSA-N	314.498	1.461	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CCOCC(F)(F)C(F)(F)F	790316642	NGBCIKNQTFUKIJ-UHFFFAOYSA-N	320.258	1.784	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)c2n[nH]cc2C)o1	799580443	NHSAXDQHLAOELF-UHFFFAOYSA-N	319.365	1.228	50	20	DDGD	
Cc1nn(C(C)C)c(C)c1CC(=O)NNC(=O)CC(F)(F)F	794241380	GKCXCPOFZUWJBU-UHFFFAOYSA-N	320.315	1.723	50	20	DDGD	
Cc1cccnc1NNC(=O)C[C@H](NC(N)=O)c1cccs1	791223444	DTBGNZRIVWNZHF-JTQLQIEISA-N	319.390	1.694	50	20	DDGD	
CC1(O)CCC(NC(=O)NNc2nc3ccccn3n2)CC1	790419967	AVRFGVFFGITQCR-UHFFFAOYSA-N	304.354	1.049	50	20	DDGD	
Cc1ccc(C(=O)NNc2ncccc2C)cc1S(N)(=O)=O	791224352	DLPPSUMYMQSXGI-UHFFFAOYSA-N	320.374	1.103	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccc(C)n2)cc1F	794089740	IVWQGFAFDACIOK-UHFFFAOYSA-N	303.293	1.613	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1ccccc1S(C)(=O)=O)C(C)C	798555506	HYIYZOOBHYNZBA-LLVKDONJSA-N	309.391	1.374	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@H](C2CC2)O[C@H](C)C1	791554310	GYUKXNVPFLSDRB-MBNYWOFBSA-N	311.426	1.068	50	20	DDGD	
CC[C@H](NNC(=O)c1cc(C)nc2ccccc12)C(=O)OC	790443598	DMVDPAYEQCSDFF-ZDUSSCGKSA-N	301.346	1.729	50	20	DDGD	
CC(C)[C@H](NS(=O)(=O)c1ccc(CCCl)cc1)C(N)=O	223942016	BBPWZPXFRADYHW-LBPRGKRZSA-N	318.826	1.256	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)[C@H](C)N1C(=O)CCC1=O	1325161593	NFLHPHQNUYGGDR-NSHDSACASA-N	303.362	1.538	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ncc(F)cc2F)c1Cl	1321128711	RTKOZDBTIDEXSU-UHFFFAOYSA-N	300.656	1.142	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnn(C2CCCCC2)c1	1329540563	VQISBRUVGXNVGP-SMDDNHRTSA-N	320.393	1.574	50	20	DDGD	
CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)NNC(=O)c2cn[nH]c2)C1	1328804071	MFPCKDYKQXTSFW-XHDPSFHLSA-N	305.382	1.665	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@H](C)c1ccc(Cl)c(F)c1	1326503167	SOQBZVULSGQXAD-SECBINFHSA-N	315.776	1.933	50	20	DDGD	
COC(=O)C(=O)NN=C(CC1CCCCC1)c1ncccn1	1252511068	IPCUWGIPBWHKBR-UHFFFAOYSA-N	304.350	1.440	50	20	DDGD	
Cc1ccccc1-n1cc(C=NNC(=O)C2CCOCC2)nn1	1331993946	JDRZGRZFBMCBIC-UHFFFAOYSA-N	313.361	1.452	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CO[C@@H]2CCOC2)cc1C	1330184671	UFSBCZRNORBHSF-CYBMUJFWSA-N	323.418	1.427	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1cc(C(C)(C)C)nn1C	1254704143	KDSWKRMEEFZDAI-UHFFFAOYSA-N	319.369	1.216	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNc1nc2ccccc2c(=O)n1C	1346823197	NSLGEZQEAXIOAU-WCQYABFASA-N	316.361	1.192	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=S)Nc1ccccn1	1352271674	FFHHXYQWNBSNNP-GRYCIOLGSA-N	321.450	1.661	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1n[nH]cc1Br	1351947408	XVNYCZTYIJISLK-UHFFFAOYSA-N	316.546	1.978	50	20	DDGD	
COCCN(CCC(=O)O)C[C@@H](CBr)C1CC1	1604604577	FCOVYAFWBOXUNB-LLVKDONJSA-N	308.216	1.831	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)CCCn1ccc(C(=O)O)n1	1600431142	KHNOKSXCZYFJKX-UHFFFAOYSA-N	320.324	1.952	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccc2oc(C(=O)O)cc2c1	1601553473	JBQYVKVWHQVNBU-UHFFFAOYSA-N	303.274	1.694	50	20	DDGD	
O=C(Cc1ccc(C(=O)O)nc1)NNc1cnc2ccccc2n1	1601358457	MLIBCEXZDRODIS-UHFFFAOYSA-N	323.312	1.409	50	20	DDGD	
Cc1ccncc1CC(=O)NNc1ccc(C(=O)O)cc1F	1600605184	IUHLOOSHWBHOKP-UHFFFAOYSA-N	303.293	1.913	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)[C@@H](C)O1	1609155913	WVJJEZITEMFWNC-DTWKUNHWSA-N	300.322	1.150	50	20	DDGD	
Cc1nc(C(=O)NCC(Cl)Cl)ccc1-c1nn[nH]n1	1609447478	OQCVQTVKQHBWGG-UHFFFAOYSA-N	301.137	1.104	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)NCCn2cccc2)cc1	1602128154	MWAHVQVKOFGDSP-UHFFFAOYSA-N	302.334	1.442	50	20	DDGD	
C/C=C/C=C\C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1609180102	FCOAWGJSWMWYDH-DEQVHDEQSA-N	303.326	1.554	50	20	DDGD	
Cc1c(NNC(=O)c2nnc(C3CC3)o2)cccc1C(=O)O	1607552084	FLUWNTBIDOUIEP-UHFFFAOYSA-N	302.290	1.711	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C=NNC(=O)[C@@H]1CCOC1	1552455124	WYIJTDZBFYSAME-JHJVBQTASA-N	306.366	1.026	50	20	DDGD	
N#Cc1ccc(Br)c(NNC(=O)[C@H]2CCNC2)c1	1574244992	DZLKFGMEEIYGLN-VIFPVBQESA-N	309.167	1.373	50	20	DDGD	
COCCCNC(=O)NNC(=O)C[C@@H]1CCNc2ccccc21	1579017125	WOUUAPAHPYXHDF-LBPRGKRZSA-N	320.393	1.343	50	20	DDGD	
CCCC[C@H](N)C(=O)NNC(=O)CSc1ccc(C)cc1	1577410692	WPDAOURXJBTSNI-ZDUSSCGKSA-N	309.435	1.752	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@H]1C[C@@H](C(=O)O)C1)c1ccccc1	1589575004	SVKISBVSVVBUPS-PHIMTYICSA-N	304.346	1.222	50	20	DDGD	
N[C@H](CC(=O)NNC(=O)c1ccc(Cl)cc1F)C(F)F	1580121410	VKFSQAGJNLOCJT-MRVPVSSYSA-N	309.675	1.223	50	20	DDGD	
N#Cc1ccc(NNC(=O)Nc2ccc3c(c2)OCCNC3)nc1	1580071529	NJJMQGQHTRYQDS-UHFFFAOYSA-N	324.344	1.584	50	20	DDGD	
CC(C)(C(=O)O)C(=O)COC(=O)/C(C#N)=C/c1ccccc1	1589582661	IPASNQJUKROSDZ-XYOKQWHBSA-N	301.298	1.817	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)N[C@@H]1C[C@H]2CCC[C@@H]21	1593165121	VFEUGVVPXQTPOX-DVVUODLYSA-N	314.353	1.076	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C/c1cccc(F)c1-c1nn[nH]n1	1590601866	DEQJTFBHZNALFD-DHZHZOJOSA-N	314.324	1.829	50	20	DDGD	
COC(=O)[C@H](NNC(=O)CC(C)(C)C)c1cccc(C(=O)O)c1	1598709558	PHWIBUXYMSPNCU-CYBMUJFWSA-N	322.361	1.656	50	20	DDGD	
CCO[C@H]1C[C@H](NC(=O)NNc2ccc(C(=O)O)cc2F)C1	1596987244	ZIYCQFOLNZZXDW-MGCOHNPYSA-N	311.313	1.718	50	20	DDGD	
C[C@H](CC(=O)O)CC(=O)NNc1cncc(Br)c1	1592391448	LJBGZYYXZIQWNY-ZETCQYMHSA-N	316.155	1.788	50	20	DDGD	
Cc1cc(=NNC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc[nH]1	1592053934	FHIURFRBMNNRIL-UHFFFAOYSA-N	310.321	1.141	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NC[C@H](CC(=O)O)C1CC1	1776293744	NVSJZHNXDIGVCP-JTQLQIEISA-N	311.831	1.672	50	20	DDGD	
CCOc1cc(C=NNC(=O)C2CCC2)ccc1OCC(=O)O	1776043639	GOONSKCMHAMSBP-UHFFFAOYSA-N	320.345	1.799	50	20	DDGD	
C[C@@H](CC(=O)NNc1nccn(C)c1=O)c1ccc(F)cc1F	162373076	BNCPTPAJBUHYGA-VIFPVBQESA-N	322.315	1.695	50	20	DDGD	
COCCNCC(=O)NN(Cc1ccccc1)c1ccccc1	163460397	HGJLDPRPLHZYBU-UHFFFAOYSA-N	313.401	1.960	50	20	DDGD	
Nc1c(C(=O)NNc2cnc3ccccc3n2)cccc1[N+](=O)[O-]	163593227	NQTIPCDPGDRZIE-UHFFFAOYSA-N	324.300	1.877	50	20	DDGD	
C/C=C/C=C/C(=O)NNC(=O)c1ccc(OCC)c(OC)c1	8314516	XMAQESNWCLBTDK-GFGVWQOPSA-N	304.346	1.987	50	20	DDGD	
COc1ccc([C@H](C)CC(=O)NNC(=O)c2cc(C)n[nH]2)cc1	153102598	XOSWMIJYWAUJLQ-SNVBAGLBSA-N	316.361	1.682	50	20	DDGD	
C[C@@H]1CN(CCC(=O)NNC(=O)C(C2CC2)C2CC2)C[C@@H](C)O1	156182856	UVJILZKQLRNIMJ-VXGBXAGGSA-N	323.437	1.069	50	20	DDGD	
Cn1cc(C(=O)NNc2cnccn2)c(-c2cccs2)n1	156915773	QRUWTDITGQLJSF-UHFFFAOYSA-N	300.347	1.696	50	20	DDGD	
ICCN1CCC(C2OCCO2)CC1	190856619	KTEZGHNNZBSXHR-UHFFFAOYSA-N	311.163	1.506	50	20	DDGD	
ICCN1CC[C@H](CN2CCCC2)C1	190907642	OBWQQBVPZFKTGY-LLVKDONJSA-N	308.207	1.839	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)c2ccc(CCCl)cc2)C[C@@H]1O	388056497	PJGIEJLMVZSKCJ-GWCFXTLKSA-N	303.811	1.469	50	20	DDGD	
C[C@@H]1OCCC[C@H]1C(=O)NCCSSCCC(=O)O	2088603980	OLMAIIYEMKXGBO-VHSXEESVSA-N	307.437	1.774	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1c[nH]c2cccc(C)c12	103432350	JPQDOGFAKLJNDO-UHFFFAOYSA-N	318.377	1.386	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)COC2CCCC2)cc1	55707742	KEUHSUMYDFKMKV-UHFFFAOYSA-N	320.389	1.734	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1cccc(F)c1F	102322421	LRUGTEDYMXECNH-UHFFFAOYSA-N	324.258	1.944	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2CCC[C@H](C)[C@@H]2C)n1	172855675	QAXRZRFQIXVGBL-JQWIXIFHSA-N	324.450	1.262	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N[C@H]1CCC[C@@H]1C	104817967	YWGYJYJMXMGQCZ-JQWIXIFHSA-N	315.377	1.775	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	105966867	OIXPUZNLDURBLX-UHFFFAOYSA-N	320.267	1.129	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)c1cccn1C)c1ccccc1	106731406	ZFTKAQYTNUSLJW-MRXNPFEDSA-N	301.346	1.348	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)c2cccc(C#N)c2)c1	103437167	JPWJUBZRDHHGNC-UHFFFAOYSA-N	323.352	1.961	50	20	DDGD	
CC(C)CCNC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	54029633	FGNFYLSHISQSAH-LLVKDONJSA-N	311.357	1.970	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNC(=O)CNc1ccccc1	104830033	YVDLOXXGNWZGNU-AWEZNQCLSA-N	304.394	1.120	50	20	DDGD	
O=C(NC[C@H]1CCCO1)NNC(=O)c1cccc2ncccc12	68446501	ZLVORVSIGFTQSE-LLVKDONJSA-N	314.345	1.358	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(F)cc3nccnc23)o1	175826758	IHDHWMDSJDDFBP-UHFFFAOYSA-N	314.276	1.745	50	20	DDGD	
CC(C)(C)C(=O)NCCNC(=O)NNc1c(F)cccc1F	172474835	QSNRZSFUAURFBP-UHFFFAOYSA-N	314.336	1.753	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)Nc1cnn(CC2CC2)c1	179886395	YRRAPPDGZUBLQM-UHFFFAOYSA-N	307.745	1.885	50	20	DDGD	
CC[C@]1(C)CCCN(CC(=O)NNC(=O)c2ccccc2)C1	173774790	LPVCOQONKCSXAG-QGZVFWFLSA-N	303.406	1.960	50	20	DDGD	
C[C@H](OC[C@@H]1CCCCO1)C(=O)NNC(=O)CC(C)(C)C	171482624	HUWKXGISLODXBV-RYUDHWBXSA-N	300.399	1.544	50	20	DDGD	
C[C@H](C(=O)NNc1ncnc2nc[nH]c12)n1cnc2ccccc21	173948123	YVSKNBHOYHKGEQ-SECBINFHSA-N	322.332	1.407	50	20	DDGD	
O=C(C[C@H]1C=CCC1)NNC(=O)c1cnn(-c2ccccc2)c1	112825424	ROUDMAQOZLQXCW-ZDUSSCGKSA-N	310.357	1.990	50	20	DDGD	
CSC[C@H](C)C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	66928628	BXDGHPDEZMTPTP-JTQLQIEISA-N	318.402	1.837	50	20	DDGD	
Cc1nn(C)c(C)c1CC(=O)NNC(=O)Cc1ccccc1F	66785425	WFLNBZOZFNENBB-UHFFFAOYSA-N	318.352	1.109	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cccc(COC)c1	171335641	ZUQWSACIZXHRFL-JTQLQIEISA-N	300.380	1.189	50	20	DDGD	
CC[C@@H](O)CCNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	305081986	RGADRMWPIWHOPO-MYWXAZLQSA-N	300.362	1.389	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@@H](O)COC)c1C	305046976	AYXLTKOHVJSGJK-MVMZHWFQSA-N	319.405	1.545	50	20	DDGD	
CC[C@@](C)(O)C(=O)NNC(=O)c1ccc(Br)cc1	1354373282	OQWONRVMBQHPBR-GFCCVEGCSA-N	315.167	1.371	50	20	DDGD	
O=C(CCCn1ccnc1)NNC(=O)c1cccc([N+](=O)[O-])c1	122659004	JRPPLTXVPPKMQP-UHFFFAOYSA-N	317.305	1.033	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H](C)Cc2c(C)noc2C)n1	128259633	UVAMSZVCZDXQBF-JTQLQIEISA-N	318.381	1.956	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NNC(=O)Cc1ccncc1	183437306	AGDJUGGHWDFZRV-NTEUORMPSA-N	324.315	1.518	50	20	DDGD	
COc1cccc2cc(C(=O)NNC(=O)c3cccn3C)oc12	75634653	DVOCWQXSDOHSEE-UHFFFAOYSA-N	313.313	1.855	50	20	DDGD	
N#CCc1ccc(NC(=O)NNC(=O)c2ccccc2O)cc1	183361053	JJAIZQKTHWVEEH-UHFFFAOYSA-N	310.313	1.925	50	20	DDGD	
CN1N=C(C(=O)NNc2ccc(-c3ccccc3)nn2)CCC1=O	128010602	KFCWTDMJQKNUOL-UHFFFAOYSA-N	324.344	1.195	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)C=C(C1CC1)C1CC1	77163676	JYCKLTDUBBCJPV-UHFFFAOYSA-N	307.394	1.185	50	20	DDGD	
Cc1nn(C)c2ncc(/C=C(\C#N)S(=O)(=O)NC3CC3)cc12	188034920	YKURFIPIZBXTEL-LFYBBSHMSA-N	317.374	1.223	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NCCS(C)(=O)=O)cc1	183995040	LERAJSNDFNDCRT-UHFFFAOYSA-N	313.423	1.655	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NNC(=O)c1cc2c(s1)CCC2	220635769	ODUWIHIJNDODQL-NTMALXAHSA-N	305.359	1.442	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNC(=O)CCCc1ccccc1	134918179	KWPACHMPDDTVTI-UHFFFAOYSA-N	320.389	1.746	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)C1[C@H]2CCC[C@H]12	130928423	MSOKBSIXOFQNSH-QWRGUYRKSA-N	320.414	1.981	50	20	DDGD	
Cc1ccnc(NNC(=O)C2CCN(c3cnccn3)CC2)c1	88424814	QFIHMCPKOKQEIQ-UHFFFAOYSA-N	312.377	1.540	50	20	DDGD	
CC(=O)NNC(=O)[C@@H](C)Oc1ccc(C)cc1Br	48823350	XFIQMFJSMUYVTD-MRVPVSSYSA-N	315.167	1.692	50	20	DDGD	
CCOCCN(C)C(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	89373497	AXMQMDGSBPDTFC-RIYZIHGNSA-N	300.362	1.607	50	20	DDGD	
COc1ccnc(NNC(=O)/C=C/SCc2ccco2)n1	84921994	OJACRZURMSAHDN-VMPITWQZSA-N	306.347	1.968	50	20	DDGD	
COc1ccccc1CNC(=O)NNC(=O)Cc1ccncc1	83064630	LYFJBZQSNHZBMB-UHFFFAOYSA-N	314.345	1.163	50	20	DDGD	
Cc1csc(CNC(=O)NNC(=O)CCc2ccccc2)n1	195160159	OUXQOTQXAOWMCC-UHFFFAOYSA-N	318.402	1.915	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1cn(C)nc1-c1ccccc1	195322850	RAUMEDZDXVORKF-NTEUORMPSA-N	316.386	1.843	50	20	DDGD	
O=C(NNc1ccc(F)cc1)Nc1cccnc1-n1cncn1	92602241	ZJGDENWABOVZJB-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(/C=C(/C#N)C(=O)NCCOC)c1C	255631032	IZHGXCOOAQEKMS-WQLSENKSSA-N	319.361	1.478	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)/C=C\c1cncc(F)c1	255028552	SJOIWPAQVFMASO-SREVYHEPSA-N	315.304	1.704	50	20	DDGD	
Cc1nc2ccccc2n1CCNC(=O)NNC(=O)C1CCC1	264744126	PUTDVDYCCXKAIA-UHFFFAOYSA-N	315.377	1.475	50	20	DDGD	
CSC[C@@H](C)NC(=O)NNC(=O)COc1ccccc1F	265482577	QZQWCZWKUJNVTR-SECBINFHSA-N	315.370	1.286	50	20	DDGD	
O=C(NCc1ccc2c(c1)OCCCO2)NNc1cccnn1	265456499	CIMYREODLBJHJL-UHFFFAOYSA-N	315.333	1.464	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)C1CCC1)Oc1ccc(F)cc1	266506210	GDKCQZMORMSSBG-JTQLQIEISA-N	309.341	1.724	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1cc(F)cc(OC)c1	269836102	QSAIJDQZRBJDHX-UHFFFAOYSA-N	313.329	1.804	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCNc1cc(OC)cc(OC)c1	269777327	DZTKVWCNQWTKAL-VAWYXSNFSA-N	319.361	1.676	50	20	DDGD	
CCOC(=O)N1CCC[C@H](C(=O)NNc2ccc(OC)cn2)C1	275434252	BEFUZAYVPWEFEZ-NSHDSACASA-N	322.365	1.402	50	20	DDGD	
CNC(=O)CCCNC(=O)NNc1c(F)cccc1Cl	274553592	YENSCYKZJJLBIX-UHFFFAOYSA-N	302.737	1.631	50	20	DDGD	
C=C(CBr)CN(CCC(=O)OC)CC(OC)OC	279702148	JPNPYYVFWDVFFZ-UHFFFAOYSA-N	324.215	1.422	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)CCO1	271909808	RVZSGRFHLROMHG-AAEUAGOBSA-N	305.378	1.329	50	20	DDGD	
CCn1nc(C)c(S(=O)(=O)NNC(=O)OC(C)(C)C)c1C	274104374	UFSZXFBXJPXLCE-UHFFFAOYSA-N	318.399	1.238	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1ccc(Cl)cc1C	275468315	LHIWFXPBCKMDTQ-UHFFFAOYSA-N	305.787	1.503	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCC(C)(OC)CC1	271686995	LBDFWIPJMFMDRC-UHFFFAOYSA-N	321.377	1.551	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)N1CC[C@H](C2CC2)C1	362077478	JJZUBMXNKHEZJM-HNNXBMFYSA-N	317.389	1.676	50	20	DDGD	
CSCC[C@H](O)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	279120425	ADEGGEDAKXZGQS-VIFPVBQESA-N	303.315	1.291	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)C2CC2)c(OC)cc1Cl	273238413	SWGPZABMDAAGHY-UHFFFAOYSA-N	313.741	1.920	50	20	DDGD	
C[C@@H]1COCC[C@@H]1CNC(=O)NNc1nc2ccccn2n1	287830781	KOJWYNKPIZDJCX-GHMZBOCLSA-N	304.354	1.028	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccnc(OCC(F)(F)F)c1	286535155	YKCIRWVCIYDSAD-UHFFFAOYSA-N	307.228	1.366	50	20	DDGD	
CCC(CC)[C@@H](C(=O)NNc1cccc(F)n1)N1CCOCC1	286710167	ZDCFPPSSUYUUDW-HNNXBMFYSA-N	324.400	1.801	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)[C@@H](C)N1CCN(C)CC1	281877872	WYOGFZTUBRZHEY-CQSZACIVSA-N	304.438	1.636	50	20	DDGD	
CC1(C)CC[C@H]1NC(=O)NNC(=O)COCc1ccccc1	287450821	OGCDZPOILTVSSV-CYBMUJFWSA-N	305.378	1.722	50	20	DDGD	
C[C@@H](OC[C@H]1CCCCO1)C(=O)NNC(=O)Nc1ccccc1	282933894	ZHLOGOCNZMPZHV-TZMCWYRMSA-N	321.377	1.814	50	20	DDGD	
CCc1ccc(CNC(=O)NNC(=O)[C@@H]2CCCCO2)s1	296223809	JMMIDXHGAPAPSU-LBPRGKRZSA-N	311.407	1.710	50	20	DDGD	
CCOCc1cccc(NC(=O)NNC(=O)[C@H]2CCCCO2)c1	296605723	YFALFFIFHRDCII-CQSZACIVSA-N	321.377	1.945	50	20	DDGD	
COc1cc(NNC(=O)c2c[nH]nc2[N+](=O)[O-])ccc1Cl	802626025	JEZMJOFWLNWYRJ-UHFFFAOYSA-N	311.685	1.737	50	20	DDGD	
COCc1cnc(NC(=O)NNC(=O)c2cccc(C)n2)s1	806599086	WZTTYAGNRIBENE-UHFFFAOYSA-N	321.362	1.459	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)CCCCOC	299314856	HZPLSTOPTZAGIB-UHFFFAOYSA-N	324.377	1.428	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=O)[C@@H]1CCCO1	296877653	MYYWAUXCLINQDK-NSHDSACASA-N	308.294	1.235	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc[nH]c1C(C)C	803777582	HARZKHHIQXUBMJ-LLVKDONJSA-N	323.393	1.877	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)CC1	802095425	CWXFALLNIPOTTC-UHFFFAOYSA-N	321.333	1.385	50	20	DDGD	
C[S@@](=O)Cc1ccc(CNC(=O)NNC(=O)C2CCC2)cc1	805867672	OPKMWHDHYYJYBQ-JOCHJYFZSA-N	323.418	1.196	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2CCCCO2)cc1F	295263372	BGSPCNPHTWIBKQ-AWEZNQCLSA-N	324.352	1.483	50	20	DDGD	
O=C(CN1CCc2ccccc21)NNC(=O)NCc1ccco1	299306595	BNMTUPSWDWVCAE-UHFFFAOYSA-N	314.345	1.173	50	20	DDGD	
CC[C@H]1CCC[C@H]1C(=O)NNC(=O)c1cccc(OC)c1O	294866363	OVMMUSBNKFQGGB-WDEREUQCSA-N	306.362	1.988	50	20	DDGD	
CC[C@H]1CCC1=NNC(=O)C1CCN(c2ncccn2)CC1	807970744	UYXHGVCVIHGXOF-LBPRGKRZSA-N	301.394	1.985	50	20	DDGD	
Cc1ccc2snc(C(=O)NNC(=O)Cc3cc[nH]n3)c2c1	815475369	IWANDBMHJJZBQI-UHFFFAOYSA-N	315.358	1.332	50	20	DDGD	
C[C@@H]1CCN[C@@H](C(=O)NNc2nc(-c3ccccc3)no2)C1	817933674	NQZQMFSOGPGCHZ-ZYHUDNBSSA-N	301.350	1.568	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)C(C)(C)c1ccccc1)n1cccn1	819259319	GTZSOPZPYRVUIV-CYBMUJFWSA-N	314.389	1.959	50	20	DDGD	
CC(=NNC(=O)N=c1cc[nH]cc1)c1cc([N+](=O)[O-])ccc1O	815001493	MBRKRUDAXOTNCP-UHFFFAOYSA-N	315.289	1.663	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccc(C#N)o2)cc1	816596825	SQCGEXORRZVXOG-UHFFFAOYSA-N	300.274	1.626	50	20	DDGD	
CC(=O)N(C)c1ccc(NC(=O)NNc2ncncc2F)cc1	814624782	LRJNRSATLNMESJ-UHFFFAOYSA-N	318.312	1.747	50	20	DDGD	
COc1ccc(NNC(=O)NC2CCC(N(C)C)CC2)nc1	817177060	CFZSVTCPGAXQSG-UHFFFAOYSA-N	307.398	1.589	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cccnc2)n(C(C)(C)C)n1	726871309	KBXXDYHFDVUBSV-UHFFFAOYSA-N	316.365	1.808	50	20	DDGD	
CC(C)C(=O)Nc1cc(C(=O)NNc2ncccn2)ccn1	814926643	CTOGNGVSVCIZLQ-UHFFFAOYSA-N	300.322	1.223	50	20	DDGD	
Cc1ccccc1S(=O)(=O)NNC(=O)NCc1ccco1	727361247	GVSXAPUJLGLJEH-UHFFFAOYSA-N	309.347	1.281	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(Br)cn1	727374240	ZCHBYSRXNJFWRH-UHFFFAOYSA-N	315.171	1.588	50	20	DDGD	
CN(Cc1cscn1)C(=O)NNC(=O)c1cccc(C#N)c1	728953631	SKVJBSRUGVVYNT-UHFFFAOYSA-N	315.358	1.501	50	20	DDGD	
O=C(C[C@H]1COc2ccccc2O1)NNC(=O)CC(F)(F)F	825505714	RLQWZLJAODLADV-QMMMGPOBSA-N	318.251	1.316	50	20	DDGD	
O=C(/C=C\c1ccc[nH]1)NNC(=O)Nc1ccc2c(c1)OCO2	492890885	CEDWNGKUTXOMEP-XQRVVYSFSA-N	314.301	1.610	50	20	DDGD	
CC1CCN(C[C@@H](C)NC(=O)NNC(=O)CC(F)(F)F)CC1	822698546	VYLJABOMCNNXMO-SNVBAGLBSA-N	324.347	1.390	50	20	DDGD	
CNC(=O)NNC(=O)[C@@]1(C(=O)OC(C)(C)C)C[C@H]2CC[C@H]1C2	823425113	LVHTWMMLOBZRDI-AMJWSMQMSA-N	311.382	1.095	50	20	DDGD	
CCN(CCO)NC(=O)Cc1nc(-c2cccs2)oc1C	823841838	LIOCNTSZCGBNQS-UHFFFAOYSA-N	309.391	1.599	50	20	DDGD	
COc1ccc(C)cc1CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	825595206	OXTHDGXLQDTRAX-DGCLKSJQSA-N	321.377	1.259	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1C[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1	827266740	DNFDQQLORXGWFV-GXYBRJDSSA-N	319.405	1.296	50	20	DDGD	
COc1cc(OC)c(C=NNC(=O)c2cc(C)[nH]n2)c(OC)c1	725325597	ZHRBJBWGOBMRMF-UHFFFAOYSA-N	318.333	1.508	50	20	DDGD	
CCN(CCO)NC(=O)c1nc(-c2ccccc2F)oc1C	823859928	DTUCBJCIBRTANW-UHFFFAOYSA-N	307.325	1.748	50	20	DDGD	
Cc1ccc(Cl)c(O[C@H](C)C(=O)NN(C)[C@H](C)CO)c1	823971215	QSFJASFNBMMRRT-GHMZBOCLSA-N	300.786	1.760	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C2=COCC2)cc1	727766633	ZQQIPBWOYQDOGV-LLVKDONJSA-N	320.345	1.304	50	20	DDGD	
CC(C)(C)CC=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	824085537	FVAQJZCMPZLBJF-UHFFFAOYSA-N	316.365	1.784	50	20	DDGD	
Cc1csc([C@@H](C)C(=O)NNC(=O)NCc2ccco2)n1	823792880	HOXPIDKQFCGGAH-VIFPVBQESA-N	308.363	1.679	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@H](O)c2ccco2)cc(C#N)n1C	491013449	UJCQXVMRPDPEHU-NNSJBKGDSA-N	324.340	1.555	50	20	DDGD	
COc1ccc(NNC(=O)C(C)(C)NC(=O)O)c([N+](=O)[O-])c1	829479529	JJFLMFXSWFETNX-UHFFFAOYSA-N	312.282	1.093	50	20	DDGD	
COc1cccc([C@@H](OC)C(=O)NNC(=O)c2ccc(C)o2)c1	829831992	VNMPQXQPOIBJMY-CQSZACIVSA-N	318.329	1.745	50	20	DDGD	
CC(=O)c1cn(CC(=O)NNc2cccc3c2CCCC3)nn1	827180166	DDLOSRJPECIGKP-UHFFFAOYSA-N	313.361	1.503	50	20	DDGD	
Cc1ccc([C@@H](C)NCc2ccc(B(O)O)cc2F)cc1F	585028982	USSGXMCWZPJLOE-LLVKDONJSA-N	305.133	1.804	50	20	DDGD	
CN(C)C(=O)c1cccc(C=NNC(=O)CC(F)(F)F)c1	901171107	YVTUXPLGNXXWID-UHFFFAOYSA-N	301.268	1.791	50	20	DDGD	
CCOC(=O)N1CCC[C@@H](C(=O)NCCSSC)C1	495602811	NKOCOBBEHHLOEE-SNVBAGLBSA-N	306.453	1.982	50	20	DDGD	
COC1(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CCCCC1	826645245	UAPDAWOQCWHKCG-VXGBXAGGSA-N	313.398	1.091	50	20	DDGD	
CN(CCc1cnccn1)C(=O)/C(C#N)=C\c1ccc(O)cc1	491046905	HUKREDJWVALJJB-UVTDQMKNSA-N	308.341	1.790	50	20	DDGD	
CN(C/C=C/C(=O)NNC(=O)OC(C)(C)C)CC(F)(F)F	493745795	AQDBYVRTLCGANC-AATRIKPKSA-N	311.304	1.593	50	20	DDGD	
CC(=O)OC1CCN(C(=O)[C@]2(C)C[C@H]2Br)CC1	907115925	PFJCGJQDHADYTJ-ZYHUDNBSSA-N	304.184	1.714	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H](c2ccncc2)C1	829817633	PEAZEMQLVUCUAU-JSGCOSHPSA-N	304.394	1.207	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21)Nc1cc(F)cc(F)c1	908049156	AUQPWRNBVVBJPM-ZMLRMANQSA-N	309.272	1.343	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N	495667170	DQVSXGOEHXHJRO-UHFFFAOYSA-N	324.362	1.243	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H]2C[C@H]2C(=O)O)c1	738573806	KYBPDJRBOLOTIL-VHSXEESVSA-N	307.375	1.342	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1sc(N(C)C)nc1Cl	827691319	WNCJGHRLMUPOEH-UHFFFAOYSA-N	305.791	1.169	50	20	DDGD	
C[C@@]1(C(=O)NCc2nnc(C3CC3)o2)C[C@@H]1Br	907516504	URDUURRYXBWXBY-WRWORJQWSA-N	300.156	1.737	50	20	DDGD	
COc1cc(C=NNC(=O)c2ncon2)c2c(c1)C[C@H](C)O2	901289073	AQFPMBFEOMSYMX-QMMMGPOBSA-N	302.290	1.166	50	20	DDGD	
C[C@H]1OC(=O)N[C@H]1C(=O)NNc1cccc(C(F)(F)F)c1	496391967	KQLARFURNOISOW-HZGVNTEJSA-N	303.240	1.645	50	20	DDGD	
C[C@@H](Cc1c(F)cccc1F)NCc1ccc(B(O)O)cc1F	585017221	PZJIDJNURLKEQH-JTQLQIEISA-N	323.123	1.505	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2ccccc2O1)[C@@H]1CCCCO1	839780567	BOHDXCJIDKLFJE-UONOGXRCSA-N	304.346	1.097	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)[C@]1(O)CCc2ccccc2C1	837209185	WWEZMERCHKFXIH-INIZCTEOSA-N	319.311	1.723	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@H]1OCCc2ccccc21	733349302	XCBSZJDOWFMFGN-CYBMUJFWSA-N	305.378	1.677	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNC(=O)[C@H](CC)c1ccccc1	732133171	RHKRPCVAUMJEHK-DGCLKSJQSA-N	305.378	1.242	50	20	DDGD	
CSC(C)(C)C(=O)NNc1ccccc1S(C)(=O)=O	830425758	FNCYTSPMCYTJQJ-UHFFFAOYSA-N	302.421	1.675	50	20	DDGD	
COc1ccc2c(c1)C[C@@H](C)CC2=NNC(=O)c1ncon1	901287334	SQDRRMYLIQSIFJ-SECBINFHSA-N	300.318	1.795	50	20	DDGD	
CC(C)(C)OC(=O)[C@]1(C(=O)NNc2cnccn2)CC1(C)C	832395513	LXBWNMNDYZVNDH-OAHLLOKOSA-N	306.366	1.678	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2ccccc2O)CCN1C(C)C	902788307	RVPLRKRDUYRDEJ-UHFFFAOYSA-N	303.362	1.541	50	20	DDGD	
CN(CCO)c1ccc(C=NNC(=O)[C@@H]2CCCCO2)cc1	834989313	GJOVFQVAHFDIDY-HNNXBMFYSA-N	305.378	1.134	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1cc2ccccc2s1	731283736	GQVUGWOLXFAIGO-UHFFFAOYSA-N	307.375	1.768	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)N[C@@H](C)CS(C)(=O)=O	838471863	LQZNCTAFQBNNEN-VIFPVBQESA-N	319.814	1.708	50	20	DDGD	
C[C@H]1C[C@@H]1c1ccc(C=NNC(=O)[C@H](C)CN2CCOCC2)o1	732766564	TWJCOYUDHTXIJX-GUTXKFCHSA-N	319.405	1.821	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)c2cccc(B(O)O)c2)C1(CC)CC	584960470	LMCXJDSHXSDPGD-LSDHHAIUSA-N	319.210	1.080	50	20	DDGD	
C[C@H](C[C@@H](O)c1cccs1)NCc1cccc(B(O)O)c1	585035554	VARRRORJPSDWHF-BXUZGUMPSA-N	305.208	1.030	50	20	DDGD	
O=C(CSCC(=O)N1CCCCC1)NCC(Cl)Cl	837650545	FILRALFTXZWDJL-UHFFFAOYSA-N	313.250	1.652	50	20	DDGD	
COc1cccc(NCC(=O)NN=CCCc2cnn(C)c2)c1	834933237	NJEPLWXANPLJLE-UHFFFAOYSA-N	315.377	1.575	50	20	DDGD	
O=C(NNc1cccc(Br)n1)[C@@]1(O)CCSC1	837211993	NRLFFLFKLVSCAA-SNVBAGLBSA-N	318.196	1.155	50	20	DDGD	
CC(C)(C)C(=O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	733910936	KWHBDVYXXIVIPW-UHFFFAOYSA-N	306.406	1.965	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CCCN(C(=O)O)C1	738755687	CIJJUFKRVYIHRX-LLVKDONJSA-N	320.349	1.081	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1cc2c(cc1[N+](=O)[O-])OCCO2	730965000	KPKBYBIOKFTSFH-HJWRWDBZSA-N	319.273	1.748	50	20	DDGD	
CC(C)[C@@H](NC(=O)O)C(=O)NNc1cc(C#N)cc(Cl)n1	833467137	CVZMNYVCYPZIEQ-SNVBAGLBSA-N	311.729	1.342	50	20	DDGD	
CCO[C@@H]1COC[C@H]1NC(=O)NNC(=O)Nc1ccccc1C	836650745	RTYWJPNDSKIICM-CHWSQXEVSA-N	322.365	1.135	50	20	DDGD	
COc1ccc(N2CCN(S(=O)(=O)CCl)CC2)cc1F	830827084	KFBIXHZZOMMIMK-UHFFFAOYSA-N	322.789	1.482	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cnc(C(C)(C)C)nc1	831368227	DOOSGBANSNQXPY-ONGXEEELSA-N	321.381	1.352	50	20	DDGD	
COC(=O)C[C@H]1CN(S(=O)(=O)CCl)c2ccccc21	830668546	QYVQEXRFOLLZKX-VIFPVBQESA-N	303.767	1.679	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(Oc2ccccc2)nc1	910171115	UINLBPUNNIFSTI-GFCCVEGCSA-N	301.346	1.831	50	20	DDGD	
COc1ccc(COCC(=O)NNC(=O)CC(F)(F)F)cc1	918366972	GZKGCRSWLMVLCP-UHFFFAOYSA-N	320.267	1.312	50	20	DDGD	
CC(=O)N[C@H](C)C(=O)NNc1ccnc2cc(Cl)ccc12	913187788	AZKQSRZOMNCWCO-MRVPVSSYSA-N	306.753	1.856	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CNC(=O)C2CC2)c(C)c1	918689388	WEXLQAMVSAAAKF-UHFFFAOYSA-N	320.418	1.147	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=Cc1ccc(Cl)c(F)c1	743445561	AREOSRZVAHTDQS-UHFFFAOYSA-N	324.699	1.373	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccc(C#N)cc1)CC(C)(C)C	744393716	ROTNNHVLFGTRNG-UHFFFAOYSA-N	302.378	1.297	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1ccc(OC)cc1O	740762797	IIZLEMPPACCMFI-UHFFFAOYSA-N	321.377	1.546	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1	746299557	QMHPWPXWIMFEMD-GXFFZTMASA-N	312.845	1.951	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc2ccc(F)cc2c1	843660374	KBUPHRVYBGMQHJ-ZANVPECISA-N	317.320	1.560	50	20	DDGD	
COc1ccc([C@H](O)CNC(=O)NNC(=O)C2CCCC2)cc1	916613665	WAWQXEJFTYITEP-CQSZACIVSA-N	321.377	1.249	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=S)NCC2CCC2)C1	912109096	DJRNATUKMVMLPM-SKDRFNHKSA-N	321.450	1.371	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc(C#N)s1	749385026	BQPXBLBZMGUXTQ-UHFFFAOYSA-N	301.327	1.703	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)NC1CCCCC1)c1cnn(C)c1	840237535	MAMUCOHJTMKARQ-LLVKDONJSA-N	307.398	1.577	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H](C)C(=O)OC(C)(C)C	840412333	HFQTYBCQNXWQJS-SNVBAGLBSA-N	322.361	1.894	50	20	DDGD	
O=C(NNc1ccc(Cl)c(F)c1)C1CCS(=O)(=O)CC1	746696107	ZRYFMVPLARUOBD-UHFFFAOYSA-N	320.773	1.747	50	20	DDGD	
O=C(O)CCCNC(=O)NNc1cccc(Br)n1	840992603	VCHWOMJVDFJPHE-UHFFFAOYSA-N	317.143	1.335	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)c2cccc(N(C)C)c2)s1	748605178	QABNYEUNBDNDAC-UHFFFAOYSA-N	304.375	1.592	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCc2cc[nH]n2)c2ccccc2n1	916637091	ANLWAKAPGWDQMC-UHFFFAOYSA-N	324.344	1.411	50	20	DDGD	
C[C@H](Cc1cnc[nH]1)C(=O)NNc1cccc(Br)n1	848214432	RUILWRSJLVVKHS-MRVPVSSYSA-N	324.182	1.889	50	20	DDGD	
CN1C[C@@H](C(=O)NNC(=O)c2ccc3ccccc3c2)CC1=O	918621714	FMNRQDSWNPGJTM-AWEZNQCLSA-N	311.341	1.079	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)C1(n2cnnn2)CCCCC1	845855944	GBQFCNBOLCLKRA-UHFFFAOYSA-N	318.356	1.923	50	20	DDGD	
O=C(NN[C@H](C(=O)NC1CC1)c1ccccc1)[C@@H]1CCCCO1	842150293	CNMGYMWCEMCBMU-GJZGRUSLSA-N	317.389	1.196	50	20	DDGD	
C[C@@H]1CCCC[C@H]1OCC(=O)NNc1ccnc(N(C)C)n1	740112836	QQVRPEQDUYDTNW-VXGBXAGGSA-N	307.398	1.581	50	20	DDGD	
CC1CCN(C[C@@H](C)C(=O)NN=Cc2ccc(O)cc2O)CC1	916363707	SBEORZOHGWCKDB-CYBMUJFWSA-N	319.405	1.916	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@]23CCC(=O)N2CCS3)cc1	748115176	ZPPQMFRXBGQVBP-AWEZNQCLSA-N	302.359	1.067	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@@H]1CC[C@H]2CNC[C@H]2C1	842013232	GOQWKCSZYCQXOW-QJPTWQEYSA-N	320.368	1.158	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)[C@H]1COc2ccccc2O1)C(F)(F)F	742469464	BXEWXAHADHRUCX-OIBJUYFYSA-N	318.251	1.172	50	20	DDGD	
O=C(NNC(=O)C1CC2(CCC2)C1)c1ccc2c(c1)OCO2	843752608	WIEXUXSXVWGGFB-UHFFFAOYSA-N	302.330	1.757	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1ccncc1)N1CCc2ccccc21	847280803	IDOXXAYERUWVHK-ZDUSSCGKSA-N	324.384	1.684	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1O)[C@H](C)O	842227438	RIZBGPJSBPUGHC-CBAPKCEASA-N	300.742	1.214	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)C[C@@H](OC)C1CCCC1	849303606	GSVMTMAVIDNTRA-ZYHUDNBSSA-N	306.428	1.188	50	20	DDGD	
C[C@H](CCc1cccn1C)NC(=O)NNC(=O)CC(F)(F)F	745875027	IWSPBIUTCFNCHO-SECBINFHSA-N	320.315	1.629	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)CC2(O)CCC2)c1	843870988	BRKPPTMXUPVBKU-UHFFFAOYSA-N	306.366	1.528	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)NCC[C@@H]1C[C@H]2C=C[C@H]1C2	847404050	RWVKABIJSMDKPM-RWMBFGLXSA-N	315.377	1.442	50	20	DDGD	
CCCNC(=O)NNC(=O)CCc1nnc(-c2ccccc2)o1	921042420	TYVPJFGXTHBRDK-UHFFFAOYSA-N	317.349	1.410	50	20	DDGD	
COCCOc1cncc(C(=O)NNc2ncc(F)cc2F)c1	857533699	IVLMZOAQTNYXOH-UHFFFAOYSA-N	324.287	1.537	50	20	DDGD	
O=S(=O)(CBr)NCCNC1CCCCCC1	850585020	UPEJEGDEIPPMTA-UHFFFAOYSA-N	313.261	1.571	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C1Cc2ccccc2C1	854284499	MIBDEGIXGXCTTD-UHFFFAOYSA-N	321.446	1.275	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2F)CN1C1CC1	753925769	FPNWDNROECKRDE-MNOVXSKESA-N	320.368	1.395	50	20	DDGD	
Cn1nc(C2CC2)nc1C(=O)NC[C@@]1(C)C[C@H]1Br	857249809	LWHBSPGKCNTQIW-PRHODGIISA-N	313.199	1.596	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)/C=C\SC)cc1	751457706	KFCZFHAYHRWMJS-DWOQACPDSA-N	324.402	1.877	50	20	DDGD	
CN(C)C1(CNC(=O)NNc2ccc3c(=O)[nH]ccc3c2)CC1	922996576	XQIKTSUVZLKACY-UHFFFAOYSA-N	315.377	1.248	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)c[nH]1	753161784	KVPFOQDMAJFGJK-UHFFFAOYSA-N	316.273	1.473	50	20	DDGD	
CCc1nc(C=NNC(=O)Cc2cc(O)nc(S)n2)cs1	755618921	UXNTUAGGDNTOBM-UHFFFAOYSA-N	323.403	1.183	50	20	DDGD	
O=C(NNC(=O)c1coc2ccccc12)C(=O)Nc1ccccn1	758828777	VTZPRYLEPSNJCF-UHFFFAOYSA-N	324.296	1.228	50	20	DDGD	
Cn1nncc1NNC(=O)[C@H]1CCN(c2ccccc2Cl)C1	857270794	OSUSBOYIUVADIT-JTQLQIEISA-N	320.784	1.438	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccc(Cl)nc2)[C@H]2CCCC[C@@H]2N1	857141693	NAZVZWKTHHAWEL-WOPDTQHZSA-N	322.796	1.873	50	20	DDGD	
COC(=O)C1(O)CCN(C[C@@H](CBr)C2CC2)CC1	859223473	YNTVZQCVMNRBMU-LLVKDONJSA-N	320.227	1.407	50	20	DDGD	
Cc1nc(S(=O)(=O)NC[C@@]2(C)C[C@H]2Br)cn1C	856756931	UAQLHDXSNBYGKI-PSASIEDQSA-N	322.228	1.180	50	20	DDGD	
CN(C)c1cc(C(=O)NNC(=O)OCC(F)(F)F)ccn1	856023715	UCSWXUXDKVFFBW-UHFFFAOYSA-N	306.244	1.081	50	20	DDGD	
CC(C)(C)Oc1ccc(C(=O)NNC(=O)c2cc[nH]n2)cc1	855357856	RTUMKFKDFVTNGW-UHFFFAOYSA-N	302.334	1.662	50	20	DDGD	
CCn1nccc1NC(=O)NNC(=O)COc1ccc(F)cc1	757903422	VLCHJMPQUFTJJW-UHFFFAOYSA-N	321.312	1.274	50	20	DDGD	
COCCCOc1ccc(C(=O)NNc2ccncn2)cn1	857520883	RPBMXZIBRFGGFE-UHFFFAOYSA-N	303.322	1.044	50	20	DDGD	
C[S@](=O)c1ccc(C(=O)NNC(=O)OCC(F)(F)F)cc1	856025269	QKAUJMSOFAVVNW-NRFANRHFSA-N	324.280	1.357	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cc(OC)c(C)c(OC)c1	931540717	OMZYEPOGCMSSGK-UHFFFAOYSA-N	319.361	1.968	50	20	DDGD	
COCC(C)(C)C=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1	754918318	RVWNTERYPJIOFU-MELADBBJSA-N	313.442	1.506	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NNC(=O)NC(C)C	858865680	LWGIQEJIEOWXLH-SNVBAGLBSA-N	316.402	1.371	50	20	DDGD	
C[C@]1(CNS(=O)(=O)N2CCCCC2)C[C@H]1Br	856756015	IFDLCSXCXMKXOS-NXEZZACHSA-N	311.245	1.480	50	20	DDGD	
O=C(NNc1ccc(F)c(Cl)c1)C1(C(=O)NC2CC2)CC1	863079878	DDAGAXGCVTUYQO-UHFFFAOYSA-N	311.744	1.981	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1cc(OC)ccn1	863095072	FTZQBKPGICRRBW-UHFFFAOYSA-N	306.366	1.235	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(F)c1Cl)N1C(=O)CCC1=O	862505986	HUSZYKQGXXQIPV-ZETCQYMHSA-N	313.716	1.460	50	20	DDGD	
C#CCCCC(=O)NNC(=O)N[C@@](C)(C1CC1)C(F)(F)F	933557559	ATGWZADZQSJSCJ-LBPRGKRZSA-N	305.300	1.851	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)C1CC(OC)C1	860479771	XDYRPACRFKZDQQ-UHFFFAOYSA-N	324.402	1.360	50	20	DDGD	
CCCCCCNC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1118813878	PKXITSANYFOLQK-GWCFXTLKSA-N	319.243	1.973	50	20	DDGD	
Cc1cc(C(=O)NNc2nc3ccccc3c(=O)n2C)ns1	767923346	ZWOFKQVDEXUVOI-UHFFFAOYSA-N	315.358	1.455	50	20	DDGD	
CCN1C[C@H](C)N(C(=O)NNC(=O)c2ccccc2)C[C@H]1C	765647287	ITCIGDNMKFVLSA-OLZOCXBDSA-N	304.394	1.456	50	20	DDGD	
CCn1c(O)nc2cc(C(=O)N3CC=C(C#N)CC3)ccc2c1=O	767158190	RUFKYNZKTNUOCL-UHFFFAOYSA-N	324.340	1.418	50	20	DDGD	
COC(=O)[C@@H]1CN(C(=O)[C@H](Br)C(C)(C)C)CCO1	767955865	PDKSTEVGBUURTO-IUCAKERBSA-N	322.199	1.196	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccncc1Br	763262033	LDJDKQWPCTYHOJ-UHFFFAOYSA-N	312.167	1.795	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cccc(F)n2)c1OC	764158114	ZZHFIXATDODNQI-UHFFFAOYSA-N	319.292	1.313	50	20	DDGD	
CCNC(=O)N(C)N=Cc1cc(O)cc(Br)c1O	769593273	ASSOOQMSBICDEJ-UHFFFAOYSA-N	316.155	1.856	50	20	DDGD	
COc1cc(NC(=O)NNCC(F)(F)C(F)(F)F)ncn1	860818829	MKUMHXHCJBCUSI-UHFFFAOYSA-N	315.202	1.309	50	20	DDGD	
CC(C)c1nocc1C(=O)NNc1cccc(S(C)(=O)=O)c1	860625193	LAPWJRCEQSCEBO-UHFFFAOYSA-N	323.374	1.958	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)c2ccc(C)cc2O)c(C)n1	863859668	OAVKGWUWKMQVFM-UHFFFAOYSA-N	302.334	1.300	50	20	DDGD	
CCN1CCC[C@H]1Cn1c(C)cc(C=NN(C)C(N)=O)c1C	767899944	BIHHPHWUXSISHS-HNNXBMFYSA-N	305.426	1.934	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CC[C@](O)(C3CC3)C2)cc(C#N)n1C	1116833430	YWDXHBWXBJYSCT-SPJASCBJSA-N	324.384	1.486	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccc([N+](=O)[O-])cc1	763484466	IIFCEROIDLAOPB-UHFFFAOYSA-N	304.266	1.542	50	20	DDGD	
CCC(O)(CC)CN(C)CC(=O)NNC(=O)c1ccc(C)cc1	1118850588	QZVQEKSAAWNIBV-UHFFFAOYSA-N	321.421	1.239	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1F)[C@H]1CCS(=O)(=O)C1	871272647	XQBPBUOIQAVFKL-ZETCQYMHSA-N	306.746	1.357	50	20	DDGD	
CC[C@@H](C(=O)NNC(=S)Nc1ccc(C)cc1C)N(C)C	873759588	YFOFQPUYJBWXEH-ZDUSSCGKSA-N	308.451	1.961	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@]1(C)CC(c2ccccc2)=NO1	874247309	PNWCGIHCGIZZHM-HNNXBMFYSA-N	304.350	1.309	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1c2c(cc3c1CCC3)CCC2	1117671536	KICUNIKEOOJVNA-UHFFFAOYSA-N	303.362	1.199	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(C(=O)N(C)C)c(C)c1	878789264	VWZRYYNRLJEQHT-UHFFFAOYSA-N	308.338	1.432	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(C(F)F)o1)[C@@H]1CCCCO1	872372983	VIYWXDXRVYQARS-QMMMGPOBSA-N	324.305	1.096	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@@H]1CCC[C@H]1OC	774717052	NODVJUHASHBZJJ-WCQYABFASA-N	321.377	1.454	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCCC2)cc1)N1CCOCC1	1115910857	YEPLGOQKTSATNF-UHFFFAOYSA-N	302.378	1.663	50	20	DDGD	
Cc1ccc(F)cc1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	771970293	XJIPRUDELSHNQA-NSHDSACASA-N	324.352	1.873	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1c[nH]c2ccccc12	771968907	QRCNKUGKKIRJRJ-SECBINFHSA-N	303.318	1.271	50	20	DDGD	
O=C(CCCC[C@H]1CCSS1)NCCn1ncnn1	771581381	ATYDPHLFZLNYNF-JTQLQIEISA-N	301.441	1.503	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2cccc(C#N)c2)cn1	773688563	FOHJPCPIHILSTI-UHFFFAOYSA-N	311.301	1.044	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)C1=O	773467194	JJIJELWOMQACNY-QMMMGPOBSA-N	312.713	1.170	50	20	DDGD	
Cc1cc(=NNC(=O)NCCCC(=O)OC(C)(C)C)cc[nH]1	875332587	GYUHXTQYSVJQIH-UHFFFAOYSA-N	308.382	1.560	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNc2ccnc(N(C)C)n2)c(F)c1	777524388	VRIDNVAUIHPJMH-UHFFFAOYSA-N	317.324	1.641	50	20	DDGD	
CN(NC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F)c1ccccc1	878228801	NGXFVRIFPICZKF-QWRGUYRKSA-N	315.295	1.469	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1ccc(C)c(F)c1	779350324	HNMMSVOVADBJTB-SNVBAGLBSA-N	313.329	1.338	50	20	DDGD	
CCOC(=O)[C@@H](NC[C@H](C)CBr)C1CCOCC1	770669371	VANQIZAUEPSHRW-PWSUYJOCSA-N	322.243	1.965	50	20	DDGD	
CCOc1cccc(CCC(=O)NNC(=O)c2cccnn2)c1	882055648	FFJHVVDORLZQEF-UHFFFAOYSA-N	314.345	1.269	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCc2cc(C3CC3)n(C)n2)cn1	885902595	UHUHGPIXKHQNFE-WLRTZDKTSA-N	310.361	1.254	50	20	DDGD	
Nc1cccc([N+](=O)[O-])c1C(=O)NNc1ccccc1[N+](=O)[O-]	779491551	QNEATNQFMFLAJS-UHFFFAOYSA-N	317.261	1.842	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc2ccccc2c1	771882193	NPCBJXUTFXXACP-LLVKDONJSA-N	314.341	1.943	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2cn(C)nc2-c2ccccc2)cn1	771560123	NPDIGLPHQOVSRQ-UHFFFAOYSA-N	308.345	1.585	50	20	DDGD	
Cc1cc(NC(=O)NNc2cccc([N+](=O)[O-])c2)c(=O)n(C)c1	770073109	HHJQMRNRRLXKJG-UHFFFAOYSA-N	317.305	1.751	50	20	DDGD	
O=C(CN1CCc2ccccc2C1=O)NNc1cccc(F)c1	789995833	ADUSPFFCULHSLV-UHFFFAOYSA-N	313.332	1.967	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CCC(C)(C)O	786662937	IUAYZPDNIMDHGR-JTQLQIEISA-N	312.341	1.292	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=S)NCC2CCC2)n2cccc21	788741747	NYIRSYXKZVRDGF-LBPRGKRZSA-N	320.418	1.301	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)ccn1	789948990	FVSJZNUPEQLJKV-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
COc1ccc(OS(=O)(=O)CCCCl)c([N+](=O)[O-])c1	881740606	NYZXNAQREHWQES-UHFFFAOYSA-N	309.727	1.941	50	20	DDGD	
COc1ccc(F)cc1NC(=O)C(=O)NN(C)c1ccccc1	783432246	RTFYUOOZVUEHDD-UHFFFAOYSA-N	317.320	1.940	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@H]2CO[C@H](C)C2)c1	784149587	OAZJCBCGXGRHFW-NXEZZACHSA-N	311.382	1.877	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H]2CO[C@@H](C)C2)c1	784147001	WPAYWFSEMZUNPA-QWHCGFSZSA-N	306.362	1.255	50	20	DDGD	
Cc1cc2cc[nH]c2cc1NC(=O)C(=O)NNC(=O)C(C)C	782121077	RGTPXZNRYORGEL-UHFFFAOYSA-N	302.334	1.218	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNc2ncncc2Cl)n1	781813045	HJEOBDAGMZQXFN-UHFFFAOYSA-N	307.697	1.069	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)c2cc(F)ccc2C)nc1	781521983	KBTWWAUPCRYOTF-UHFFFAOYSA-N	303.293	1.864	50	20	DDGD	
C=CCOC(=O)/C(C#N)=C/c1ccc(OCC(=O)OC)cc1	782180866	SHYHVNUVSSRDMX-UKTHLTGXSA-N	301.298	1.875	50	20	DDGD	
COCCOc1cccc(C(=O)NNc2ncncc2Cl)c1	781831535	JDNYUOHGOUGIOH-UHFFFAOYSA-N	322.752	1.912	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)Cc2ccc(Cl)cc2)CCCOC1	781139607	YJSVGIQDFXPQHL-HNNXBMFYSA-N	310.781	1.847	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccccc1-n1cnnn1	898479626	AVOUDFBORIYIQC-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
Cc1ncc(NC(=O)C(=O)NNc2ccc(Cl)cc2)cn1	783335849	CNJWHORCVYAPKK-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccnn2-c2ccccc2)o1	792216704	ZNHHPWYTSVXAPD-UHFFFAOYSA-N	310.313	1.849	50	20	DDGD	
COc1ccc(C(=O)O)cc1/C=C(/C#N)C(=O)N1CCCC1	899339370	VTBNABFFLGUXAM-LCYFTJDESA-N	300.314	1.923	50	20	DDGD	
CO[C@H](C(=O)NNc1cccc([N+](=O)[O-])c1)c1cnn(C)c1	798983022	HAGPBFQWGWICGD-LBPRGKRZSA-N	305.294	1.159	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc3nccnc3c2)n1	794077658	YKZDECGWHNEXLP-UHFFFAOYSA-N	307.313	1.408	50	20	DDGD	
CNC(=O)[C@@]1(C)CCN(C(=O)[C@@H](Br)C(C)(C)C)C1	797774694	QHXKIHSHPAFPBE-RNCFNFMXSA-N	319.243	1.781	50	20	DDGD	
COc1cc(NNC(=O)CCS(C)(=O)=O)ccc1Cl	791028388	SPHCBTPLDQMDIB-UHFFFAOYSA-N	306.771	1.226	50	20	DDGD	
CCCN1CCC(NC(=O)NNC(=O)c2cccc(C)n2)CC1	792778839	WDMFNVGQLKNRKL-UHFFFAOYSA-N	319.409	1.208	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cccc(OC(C)C)n2)n1	794084794	WBUBPXSJXXRXIV-UHFFFAOYSA-N	314.345	1.647	50	20	DDGD	
CCOC(=O)c1cc(NC(=O)NNC(=O)C2CC2)c(F)cc1C	794369436	ZHRZKZOUQVGBAT-UHFFFAOYSA-N	323.324	1.874	50	20	DDGD	
O=C(O)CCOc1ccc(C=NNC(=O)[C@H]2CCOC2)cc1	792649971	DKCCNJNHFAHWJA-LBPRGKRZSA-N	306.318	1.027	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNc1ccc(C(F)(F)F)nn1	793730860	YKDIHGHWKPFXBI-GMSGAONNSA-N	306.288	2.000	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)c2c[nH]nc2C)c1F	796244641	CPRDUTNTAJSEQG-UHFFFAOYSA-N	320.324	1.260	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2n[nH]c3cc(C(=O)O)ccc23)n1	794567314	MQCJNPKKOUTWPF-UHFFFAOYSA-N	323.312	1.728	50	20	DDGD	
CC(=NNC(=O)c1cccc(C)n1)c1c(C)nc(O)nc1O	794571491	CLJQDXWJFDDLCS-UHFFFAOYSA-N	301.306	1.054	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)c2n[nH]cc2C)cc1OC	799407015	JTXCUWASYUMLFY-UHFFFAOYSA-N	318.333	1.200	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2COc3ccccc32)cc1	1318781245	BTWAWGXNPCHYRR-CQSZACIVSA-N	312.325	1.632	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnc(C(C)C)[nH]2)c(O)c1	1319054435	SMWWWCCRSIGKQT-UHFFFAOYSA-N	302.334	1.622	50	20	DDGD	
COC(=O)C(=O)NN=CC(C)(C)[C@@H](C[N+](=O)[O-])c1ccccc1	1319301040	SJUQNBYJKRYETF-LBPRGKRZSA-N	321.333	1.348	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1cncc(Br)c1)N(C)C	1319526547	BYJZAXRCQIHOOW-NSHDSACASA-N	315.215	1.873	50	20	DDGD	
O=C1Cc2cc(NS(=O)(=O)CCCCCl)ccc2N1	187579581	KNXNCALMLFNCLQ-UHFFFAOYSA-N	302.783	1.942	50	20	DDGD	
CCC1(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CCOCC1	1323550289	AFIUQKAOZXYXPO-UHFFFAOYSA-N	320.393	1.256	50	20	DDGD	
Cc1nc([C@H](C)NC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)no1	1323134066	FZZLQXLVKOAOIO-DHIBQTOVSA-N	324.344	1.681	50	20	DDGD	
CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NNc1ccn(C)n1	1321105411	NTIUKMJQAOOTIY-GULOHRGCSA-N	323.422	1.121	50	20	DDGD	
COC(=O)c1cccc(/C=C(/C#N)S(=O)(=O)NC2CC2)c1	1325018228	YXAWONVIOAHDRX-JYRVWZFOSA-N	306.343	1.419	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)[C@@H](C)c2nc(C)no2)n1	1327710513	HBMNLDDXGSTGOW-VIFPVBQESA-N	318.337	1.129	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccc([S@@](C)=O)cc1	1320532327	WZFMTSXIXRDHOD-JOCHJYFZSA-N	321.362	1.371	50	20	DDGD	
C[C@H](O)CN1CCN(C(=O)c2cccc(CCl)c2)[C@@H](C)C1	1337228970	MIZJQWAVFRVMRP-STQMWFEESA-N	310.825	1.953	50	20	DDGD	
O=C(NNC(=S)Nc1ccccc1)C(=O)Nc1ccccn1	1252885403	IISDDGDTSXORLC-UHFFFAOYSA-N	315.358	1.038	50	20	DDGD	
COC(=O)C(=O)NN=C(C)[C@H](C)Cc1ccccc1[N+](=O)[O-]	1253755067	HRTOVOAOSYNMSF-SECBINFHSA-N	307.306	1.439	50	20	DDGD	
Cc1nnc(CNC(=O)NNc2c(F)cc(F)cc2F)n1C	1332321739	CCONYHQGFCXCNY-UHFFFAOYSA-N	314.271	1.367	50	20	DDGD	
CO[C@H]1CCC[C@@H]1C(=O)NNc1cc(O)nc2ncccc12	1336051789	AIJHICGPBLEBAL-JQWIXIFHSA-N	302.334	1.594	50	20	DDGD	
CCN(CC)CC[C@H](C)NC(=O)/C(C#N)=C\c1cnn(C)c1	1347660313	LOSRQWOVTNYVRL-GRRFOWRYSA-N	303.410	1.564	50	20	DDGD	
CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NNc1cccnn1	1342263423	QECCEUHFDPUUGF-IGLBNKAOSA-N	321.406	1.178	50	20	DDGD	
Cc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1C	1351034081	AIAGNIDGZVXSAQ-DMRZNYOFSA-N	316.401	1.979	50	20	DDGD	
CCN1CCOC[C@@H]1C(=O)NNc1cccc([N+](=O)[O-])c1C	1353587983	YFJFQPYAQUGGPB-CYBMUJFWSA-N	308.338	1.067	50	20	DDGD	
NC(=O)[C@H]1CCC[C@@H](C(=O)NNc2ccc(F)c(C(=O)O)c2)C1	1601145426	PSDDAAURVODQPX-DTWKUNHWSA-N	323.324	1.259	50	20	DDGD	
Cn1nc(C2CC2)nc1/C(C#N)=C\c1cccc(-c2nn[nH]n2)n1	1606267759	BSWVUKRXSGQUMB-YFHOEESVSA-N	319.332	1.332	50	20	DDGD	
CCN(CC)CC(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1609222814	AKIVQBUMGMVLKN-UHFFFAOYSA-N	323.788	1.305	50	20	DDGD	
O=C(O)c1cc2n(n1)CCCC2=NNC(=O)c1ccccc1F	1602306139	KVEKVGZYCPATON-UHFFFAOYSA-N	316.292	1.648	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)c1cc(F)c[nH]1	1609558806	JTRYNDJBQQGNOC-UHFFFAOYSA-N	321.703	1.744	50	20	DDGD	
CCC(CC)(CC)C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1604017785	QPEHSQKJYDFTHG-UHFFFAOYSA-N	303.370	1.921	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccn(CC(=O)O)n1	1605576328	LXXHYTRJYWIBGL-XFFZJAGNSA-N	312.285	1.219	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ccc(C(=O)O)nc1	1604402045	VLPLMTBWTAQBBL-UHFFFAOYSA-N	315.285	1.323	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1	1608483907	CXZJAAJBYMNGSR-QAMQWIBQSA-N	312.276	1.239	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@H]2CCC[C@H](C(=O)O)C2)c1Cl	1608274028	MCGSDSKCYKHTCL-BQBZGAKWSA-N	313.745	1.046	50	20	DDGD	
O=C(NN=C1CCC[C@@H]1CCCF)[C@H]1CN2CCC[C@H]2CO1	1549320346	LYUWANAUOJVLLJ-VNHYZAJKSA-N	311.401	1.872	50	20	DDGD	
Cn1ncnc1C=NNC(=O)[C@H]1CCCO[C@H]1c1ccccc1	1549084689	UMMLWHCCJMUUOG-ZFWWWQNUSA-N	313.361	1.433	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@@H]1C=NNC(=O)c1ccc[nH]1	1552455130	WKHKBEDAVHAVOQ-RISCZKNCSA-N	301.350	1.632	50	20	DDGD	
C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](F)Cl)CC2	1825015884	OOTNDQQHCARPMY-QUBYGPBYSA-N	315.757	1.223	50	20	DDGD	
Cc1cc(=NNC(=O)c2ccc([C@@H]3CCCCN3)n2C)cc[nH]1	1579638467	YKOJCDLYLIQWRR-AWEZNQCLSA-N	313.405	1.722	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@H]1CCCCO1)[C@H](N)c1ccccc1	1575092138	FUQCTYXOMCNTLH-ZIAGYGMSSA-N	319.405	1.429	50	20	DDGD	
C=C[C@H](NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1)C(=O)O	1588700763	LCONVLFIZGXTIK-ABAIWWIYSA-N	314.341	1.867	50	20	DDGD	
CC[C@H](C)[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](F)Cl	1847830803	BTPXUWYMWQMVQA-NGDQXYMTSA-N	320.792	1.130	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2ncccn2)C1	1842482153	RKDKLSOSNRIQCJ-LLVKDONJSA-N	322.796	1.311	50	20	DDGD	
C[Si](C)(C)OCC(=O)N1CCCC12CN(C(=O)C1CC1)C2	1844379516	KBABXVXUZOAYLI-UHFFFAOYSA-N	310.470	1.451	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cc[nH]n2)C1	1841699887	UMDUDSMWJBUVKF-SNVBAGLBSA-N	310.785	1.244	50	20	DDGD	
C[C@@H]1O[C@H](C)C[C@@H]1NC(=O)NNc1ccc(C(=O)O)cc1F	1594258426	SXVIGYUYJNSGGY-LWINAJNOSA-N	311.313	1.716	50	20	DDGD	
Cn1nc(C(=O)NNc2ncccc2C(=O)O)cc1C1CC1	1594563100	NWYSJVFXFJAALZ-UHFFFAOYSA-N	301.306	1.148	50	20	DDGD	
Cc1c[nH]ccc1=NNC(=O)Nc1ccccc1CC(=O)O	1594433991	PWMYUVJMELKMTN-UHFFFAOYSA-N	300.318	1.588	50	20	DDGD	
C[C@@H](CBr)CN1C[C@H]2COCC[C@@]2(C(=O)O)C1	1592210487	DKHXIKYBTCGNQD-JBLDHEPKSA-N	306.200	1.441	50	20	DDGD	
Cc1nsc(NC(=O)NNc2ccccn2)c1-c1nn[nH]n1	1592483521	MTVXRXHMOJSTBJ-UHFFFAOYSA-N	317.338	1.175	50	20	DDGD	
C[C@@H]1CC(NC(=O)NNC(=O)c2cccc(C#N)c2)C[C@@H](C)O1	158551253	BTDKZDAUZPMQSM-GHMZBOCLSA-N	316.361	1.458	50	20	DDGD	
COc1c(F)ccc(F)c1C(=O)NNC(=O)c1cccn1C	151560381	MNNAWOBEFAAHOV-UHFFFAOYSA-N	309.272	1.387	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2ccccc2-n2cnnn2)c1	152266062	KRLDIKFPBBNUOB-UHFFFAOYSA-N	305.301	1.291	50	20	DDGD	
Cc1coc(-c2cc(NC(=O)NNC(=O)CCO)ccc2C)n1	156218996	QTIXIGXKQPALBO-UHFFFAOYSA-N	318.333	1.494	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ccc(C#N)cc2)cc1	155416079	UOCGNNAJQDBBBS-UHFFFAOYSA-N	310.313	1.649	50	20	DDGD	
CC1(C)CCCC[C@@H]1NC(=O)NN[C@]1(C)CCS(=O)(=O)C1	156725022	LCILLWALKLTWHA-SMDDNHRTSA-N	317.455	1.336	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2CC2)cc1Br	512394	AEYRERZDZYEPSF-UHFFFAOYSA-N	313.151	1.629	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNC(=O)c2cccn2C)cc1	102362523	DLSJIYRDYDSQRH-UHFFFAOYSA-N	313.357	1.758	50	20	DDGD	
C[C@@H](OCC1CC1)C(=O)NNc1nc2ccccc2c(=O)n1C	113188180	IEUNCHZVGMPSGF-SNVBAGLBSA-N	316.361	1.192	50	20	DDGD	
COc1cccc(CCNC(=O)NNC(=O)c2ccc(C)o2)c1	177266800	MMORASAZMCITGN-UHFFFAOYSA-N	317.345	1.783	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1cccc(C#N)c1	69157976	ZJOPVSLHSRNZQZ-UHFFFAOYSA-N	323.352	1.961	50	20	DDGD	
COCC(=O)NNC(=O)c1ccc(Br)cc1Cl	103403683	LLAYRVKLVNQHBQ-UHFFFAOYSA-N	321.558	1.510	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H](C2CCCCC2)N(C)C)nn1	106331541	XUFNLXSLXGSTMI-AWEZNQCLSA-N	320.441	1.922	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1sccc1C#N	52032574	MFUQDNFKUWMUFL-UHFFFAOYSA-N	315.354	1.632	50	20	DDGD	
COc1ccc(Cl)cc1CC(=O)NNC(=O)c1c[nH]nc1C	110760582	KJWYAWCRQJKOQE-UHFFFAOYSA-N	322.752	1.384	50	20	DDGD	
O=C1O[C@H](C(=O)NNc2ncccc2Cl)Cc2ccccc21	114885880	FMVUAISOMGRNNA-LBPRGKRZSA-N	317.732	1.960	50	20	DDGD	
Cc1cc(NNC(=O)c2cnn(-c3ccccn3)c2C)ncn1	172276960	HKBPWNLQHWTQAV-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
O=C(CS(=O)(=O)C1CCCC1)NNc1c(F)cccc1F	118512610	BVCGKRASXACFFA-UHFFFAOYSA-N	318.345	1.765	50	20	DDGD	
O=C(Cn1cc([N+](=O)[O-])ccc1=O)NNc1c(F)cccc1F	118511436	HQFPGYJBSUSEMR-UHFFFAOYSA-N	324.243	1.178	50	20	DDGD	
O=C(CN1CCC[C@H]1COc1ccccc1)NNC(=O)C1CC1	112983909	PQJVXHVJIHDVGE-AWEZNQCLSA-N	317.389	1.087	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1ccc2nccn2c1	68511264	QMVKTDHNJDQBLM-UHFFFAOYSA-N	312.304	1.477	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2snnc2C)cc1	171770521	AVRIKSIKXQVVHC-UHFFFAOYSA-N	305.363	1.028	50	20	DDGD	
CC(C)n1cc(C(=O)NNc2cccc(S(C)(=O)=O)c2)cn1	189213987	YQMCFYFLWXTRMH-UHFFFAOYSA-N	322.390	1.624	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1ccc(Cl)cc1	79218194	BHUPWXMSGBLXIZ-CABZTGNLSA-N	311.769	1.910	50	20	DDGD	
CNC(=O)/C(C#N)=C\c1cc(Br)c2c(c1)OCO2	212086448	OAADBTTWUDRJAM-WAPJZHGLSA-N	309.119	1.831	50	20	DDGD	
CCCOc1ccc(NC(=O)NNC(=O)c2cc(C)n[nH]2)cc1	183470423	QPCCNGNJOHHGOM-UHFFFAOYSA-N	317.349	1.973	50	20	DDGD	
N#Cc1ccc(NC(=O)NNC(=O)CCO)cc1C(F)(F)F	125078358	YBIMZFBKEBJKKJ-UHFFFAOYSA-N	316.239	1.112	50	20	DDGD	
CCSCC[C@@H](C)N(C)CC(=O)NNC(=O)c1ccccc1	182682633	KMPLPLQTKOJCMS-CYBMUJFWSA-N	323.462	1.911	50	20	DDGD	
CCc1nc(-c2ccc(C(=O)NNC(=O)C(C)(C)C)cc2)n[nH]1	121982625	ZVPJSEITICVSTJ-UHFFFAOYSA-N	315.377	1.841	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1ccc(-c2ccco2)[nH]c1=O	182503248	HSOOSRRQDFRCCL-UHFFFAOYSA-N	314.276	1.926	50	20	DDGD	
CCCC(=O)N1CCCC[C@@H]1C(=O)NNc1ccnc(F)c1	182465390	DMCSGFKDMBQMKZ-GFCCVEGCSA-N	308.357	1.845	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(C3CC3)[nH]c(=O)c2)nc1	187474678	QPSSQNJTHPEFLK-UHFFFAOYSA-N	300.318	1.413	50	20	DDGD	
CN(C)c1ncccc1C(=O)NNC(=O)c1c[nH]c2ccccc12	80002982	MPONGFPHRASNCC-UHFFFAOYSA-N	323.356	1.704	50	20	DDGD	
CCSCC[C@@H](C)NC(=O)NNC(=O)Cc1ccncc1	83235549	HZZOVPCJRLDROB-LLVKDONJSA-N	310.423	1.486	50	20	DDGD	
CCC[C@H](C)N1C[C@H](C(=O)NNc2nc(C)cc(C)n2)CC1=O	193632403	VXBOXPQWYJVMRZ-QWHCGFSZSA-N	319.409	1.574	50	20	DDGD	
O=C(CCn1cc([N+](=O)[O-])cn1)NNc1cccnc1Cl	85683775	VLMGXWRHPKZBGO-UHFFFAOYSA-N	310.701	1.373	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(Br)cc1)n1cncn1	194150029	CWLUHGNMNWMQAD-QMMMGPOBSA-N	310.155	1.745	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCc1ccc([N+](=O)[O-])cc1	193826949	IBFKWPYTKCVTST-UHFFFAOYSA-N	308.338	1.514	50	20	DDGD	
CSC1(C(=O)NNC(=O)COc2cc(C)cc(C)c2)CC1	190026324	OBLVEPQRPJMHPN-UHFFFAOYSA-N	308.403	1.725	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ccnc(F)c2)c(C)c1	190309525	STCYTUZTZSISIV-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
C[S@@](=O)c1ccc(NC(=O)NNC(=O)c2ccccc2)cc1	92018885	WTLSFNNPRJLTSO-QFIPXVFZSA-N	317.370	1.891	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=S)Nc2ccccc2OC)O1	268259923	RBDZSWNFPGJJGG-ZWNOBZJWSA-N	323.418	1.970	50	20	DDGD	
C=CCOc1ccc(C(=O)NNC(=O)C2CCC2)cc1OC	264763592	NBEAECZRQSVBCV-UHFFFAOYSA-N	304.346	1.821	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C2CCC2)cc([N+](=O)[O-])c1OC	265931483	GFEFLTXVNNQDBT-UHFFFAOYSA-N	323.305	1.173	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)COc2cc(C)ccc2C)O1	268329529	NALLHCWSRZZYTG-KGLIPLIRSA-N	320.389	1.787	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccc(C#N)cc1)N1CCCCCC1	266639310	YBEYZQWNOQNBHO-CYBMUJFWSA-N	314.389	1.584	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C2(NC(=O)OC(C)(C)C)CC2)n1	268342493	GZXQAURSKWHCAM-UHFFFAOYSA-N	321.381	1.594	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNC(=S)Nc1ccccn1	269067739	QBHSUUWKRUZJKL-UHFFFAOYSA-N	323.422	1.048	50	20	DDGD	
Cn1cc(C[C@H]2CCN(CCI)C2)cn1	365419298	TYHNXYBZRUBZHV-SNVBAGLBSA-N	319.190	1.720	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@H](CCCO)c1ccccc1	265972655	UWYDIZDFLVPKAY-CQSZACIVSA-N	305.378	1.631	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2scnc2C)c(C)c1	264018231	NNIBGYJJYFTVRQ-UHFFFAOYSA-N	318.402	1.941	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCO[C@H](C)C1	272101473	PYADAPBMVUISQG-GRYCIOLGSA-N	324.352	1.556	50	20	DDGD	
COCCC[C@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1O	272150233	CIBDERXHBGMBOZ-VIFPVBQESA-N	314.769	1.869	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)nn1	369793739	YXBYGCKYSFKVDJ-UHTWSYAYSA-N	305.382	1.615	50	20	DDGD	
Cc1nncn1CCNC(=O)[C@@H](Br)C(C)(C)C	274675175	YTVHZVMZUSAYJP-SECBINFHSA-N	303.204	1.512	50	20	DDGD	
COc1cccc(NNC(=O)NCC[C@@H]2CCO[C@@H](C)C2)n1	273125729	SDXIRYQCPNDTCK-NWDGAFQWSA-N	308.382	1.922	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H]2CCO[C@H](C)C2)nc1C	272149159	FVPRVHDVXRGQNV-MWLCHTKSSA-N	322.365	1.220	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)C3(C)COC3)cc2C1	272761354	AKMKAFSJXKLHNK-SECBINFHSA-N	308.403	1.670	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC2CC2)nn1-c1ccc(F)cc1	271941413	TVPJQEWKMOMUBH-UHFFFAOYSA-N	317.324	1.426	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ccc(O[C@@H]2CCOC2)cc1	272779494	DOBOOMVCZRDXQE-CQSZACIVSA-N	319.361	1.807	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Cc1ccc(C)cc1	276495966	BKFJEVKECLXYFS-UHFFFAOYSA-N	308.378	1.474	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC[C@H](COC)OC)c1ccccc1	273071671	ZROXCBLVBHPISJ-KGLIPLIRSA-N	323.393	1.172	50	20	DDGD	
CC(C)[C@@H]1C[C@H](CC(=O)NNC(=O)NCc2ccco2)CCO1	273085621	IAGZXDRNKRHJCM-OCCSQVGLSA-N	323.393	1.951	50	20	DDGD	
CC(C)(C(=O)NNc1nc2ccccn2n1)C1CCOCC1	281039820	RDHWQAGRKGJSDQ-UHFFFAOYSA-N	303.366	1.625	50	20	DDGD	
Cc1nc2sccn2c(=O)c1CCN1CC=C(C#N)CC1	285736572	UUNWVZNHWKDRGB-UHFFFAOYSA-N	300.387	1.763	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2cccc(Cl)c2)CCC1	280084185	YPYZRBTVRPLCBP-UHFFFAOYSA-N	302.783	1.750	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)CCCCCl)CC[S@@](=O)C1	374005463	HQECWFSCLLFVHY-MGPLVRAMSA-N	301.861	1.036	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc2c(C(F)F)nn(C)c2s1	286255001	HEDXFHRAWOEJTB-UHFFFAOYSA-N	318.305	1.915	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C(C)(C)C	285536349	BMXUUOAPKQQOKJ-AAEUAGOBSA-N	307.394	1.789	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@H]2CCC(F)(F)C2)n1	280543910	IEVNPESBSGPGHA-MRVPVSSYSA-N	301.297	1.547	50	20	DDGD	
CC1=C(C(=O)NNC(=O)Cc2ccc(F)cc2)SCCO1	280659205	AIHVASQBIXYDEF-UHFFFAOYSA-N	310.350	1.511	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cc2ccccc2c(O)n1	802036276	SXUPXCOFEPRXJE-UHFFFAOYSA-N	323.312	1.224	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Cc2cc(F)c(F)cc2F)O1	294194817	KSFJLIBIPSBFLN-MADCSZMMSA-N	316.279	1.361	50	20	DDGD	
CC(=O)N1CCc2cc(C(=O)NNC(=O)CC3CC3)ccc21	294271039	UWNLYWJZVVHVJW-UHFFFAOYSA-N	301.346	1.157	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	292678604	PKCOFYDLOHMQOY-CABZTGNLSA-N	321.333	1.193	50	20	DDGD	
COc1cc(F)c(NC(=O)NNC(=O)[C@@H]2CCCO2)cc1F	292715413	LRNASUFFJDJTEW-JTQLQIEISA-N	315.276	1.305	50	20	DDGD	
CCCOc1cccc(C(=O)NNC(=O)N=c2cc[nH]cc2)c1	802029612	NYSPBYXHXJNXSN-UHFFFAOYSA-N	314.345	1.759	50	20	DDGD	
C=CCC(F)(F)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C(C)(C)C	294912106	NKZJRVSSYXAJJE-UWVGGRQHSA-N	304.337	1.796	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802122487	QTPLGGGAYRXXIE-UHFFFAOYSA-N	322.365	1.247	50	20	DDGD	
Cc1nc(C(C)C)oc1C(=O)NNc1nc2ccccn2n1	295000667	UVNPRXCHZPMKRG-UHFFFAOYSA-N	300.322	1.906	50	20	DDGD	
CCc1c(C(=O)NNC(=O)C(=O)NC(C)C)oc2ccccc12	294242817	CLQPKDZFBDJJGV-UHFFFAOYSA-N	317.345	1.281	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@H]1CCCO1)c1ccc2c(c1)OCO2	294586021	HXLCCXIOWBXERL-LBPRGKRZSA-N	320.345	1.019	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H](C)n2cccn2)cc1	802054283	FHMPTXKHLQBJGK-SNVBAGLBSA-N	303.322	1.306	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)NC2CCCCC2)n1C	292674675	LUQVVCJYCKFIOM-UHFFFAOYSA-N	322.365	1.088	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)[C@@H]1OC[C@@H]2COCC[C@H]21	290376301	QLFJHTIYRJUVJM-WIMUKIRHSA-N	316.279	1.599	50	20	DDGD	
COc1cnc(NC(=O)NNc2cc(Cl)nc(N)n2)s1	806513650	LZZQUNCZDORGDI-UHFFFAOYSA-N	315.746	1.326	50	20	DDGD	
CN(CCNS(C)(=O)=O)CCO[Si](C)(C)C(C)(C)C	808728841	WTRXTXAGAFYWIX-UHFFFAOYSA-N	310.536	1.489	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)Cn1cnc2sccc2c1=O	808248671	PTRKNWRTXOQVMW-UHFFFAOYSA-N	320.201	1.720	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncc(F)cc1F)C1CCOCC1	297946077	MGEHFNLIQRGOLV-MRVPVSSYSA-N	300.309	1.801	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1cc2ccccc2n(C)c1=O	813834634	DLSNXSXBPNBDGP-UHFFFAOYSA-N	316.361	1.025	50	20	DDGD	
Cn1nncc1NNC(=O)c1cnn(-c2ccccc2)c1C1CC1	816771621	SYKHZITUWCXLHU-UHFFFAOYSA-N	323.360	1.635	50	20	DDGD	
CC(Cn1cccn1)=NNC(=O)c1nn(-c2ccccc2)cc1O	814760054	YSUFDEDTOTYZAF-UHFFFAOYSA-N	324.344	1.580	50	20	DDGD	
CN(C)c1cc(NC(=O)NNc2ncccc2Cl)ncn1	810221763	JQSLMBOAEGONCK-UHFFFAOYSA-N	307.745	1.740	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)c2cc3c(s2)CCC3)n1	814729179	FAMOBBLVPMRRDU-UHFFFAOYSA-N	319.390	1.231	50	20	DDGD	
O=C(NN=C1CCc2c(O)cccc21)[C@@H]1COc2ccccc2O1	812380421	LSVWRBKWKYBPNY-KRWDZBQOSA-N	324.336	1.999	50	20	DDGD	
CCCC[C@@H](C)N(C)CC(=O)NNC(=O)c1cccc(C#N)c1	810125725	KOYUSVPEMGHTGE-CYBMUJFWSA-N	316.405	1.830	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@H]1CCC[C@@H](OC)C1	814407349	YTRHMAPKDKESRG-UONOGXRCSA-N	320.389	1.590	50	20	DDGD	
CC(=NNC(=O)Cc1nc2ccccc2n1C)c1csnn1	814737529	BOGNFLPZQIKQKA-UHFFFAOYSA-N	314.374	1.508	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNc1nc(-c2cccnc2)no1	812497415	YBVWGUHSOLUHMT-ZJUUUORDSA-N	305.338	1.493	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2nc(C)oc2C)c1O	814312115	VFQQDCARDNERPV-UHFFFAOYSA-N	305.290	1.080	50	20	DDGD	
CCC(CC)[C@@H](C(=O)NNC(=O)CC1CC1)N1CCOCC1	819123456	YLCAGPIYSLADGI-HNNXBMFYSA-N	311.426	1.071	50	20	DDGD	
COc1cccc(C)c1NC(=O)C(=O)NNc1ncncc1F	815764164	UXUWBTFSWSRFHW-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
CC(Cn1cccn1)=NNC(=O)[C@H](C)Oc1ccccc1F	814749069	VLTWKBPGCPWKHM-LBPRGKRZSA-N	304.325	1.982	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)CSC(F)F)c1	726717345	RUCAOHHKFRSBLR-UHFFFAOYSA-N	320.317	1.421	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=S)NCCc1cccs1	820176893	RDXLPLIVKMCHEU-NSHDSACASA-N	315.464	1.601	50	20	DDGD	
O=C(O)COc1ccccc1C=NNC(=O)Cc1cccnc1	728784482	JWKYFNFZUASHGH-UHFFFAOYSA-N	313.313	1.238	50	20	DDGD	
O=C(CC1(O)CCC1)NNC(=O)c1cc(-c2ccccc2)[nH]n1	822193541	CDNAWPHIOOZIEG-UHFFFAOYSA-N	314.345	1.143	50	20	DDGD	
CC[C@@H](C)NC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	494077139	CWNUCKBLUVETGY-SNVBAGLBSA-N	316.402	1.420	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@H]2CCCO2)cc1F	726460995	RRAJZEIKLZAMAF-LLVKDONJSA-N	313.354	1.331	50	20	DDGD	
CNC(=O)Oc1cccc(NC(=O)NNC(=O)C2CCCC2)c1	497067647	YJOVWSDGDTZQNW-UHFFFAOYSA-N	320.349	1.748	50	20	DDGD	
C[C@@H]1CCC[C@]1(C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	822192386	LASAZWWOQUKWDH-WHCBVINPSA-N	318.373	1.800	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NOCC(F)(F)F)cc(C#N)n1C	490726908	VQPQQTMMQZNZDM-KMKOMSMNSA-N	312.251	1.722	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC(C)(C)C)n2nc(C)cc2n1	728610347	YEKMHVQQMCXMAS-UHFFFAOYSA-N	303.366	1.543	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)Cc2cc(C)[nH]n2)c1	726449177	DWXUTFZQLRIOIE-UHFFFAOYSA-N	313.386	1.260	50	20	DDGD	
CCc1nc(CCNCc2cccc(B(O)O)c2)sc1C	585019926	JYWJSGREJCULMZ-UHFFFAOYSA-N	304.224	1.026	50	20	DDGD	
CNC(=O)[C@@]1(C)CCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)C1	491052735	WPWPGYJNZHJNOD-VEMDQMBVSA-N	315.348	1.717	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H]1CCCc2occc21	825619538	QFPYNOIKWXWPGA-UMNHJUIQSA-N	307.350	1.412	50	20	DDGD	
Cc1nc(CC2CC2)sc1C(=O)Nc1cccc(B(O)O)c1	584914489	XWAMVBONQWOQQL-UHFFFAOYSA-N	316.191	1.336	50	20	DDGD	
C[C@]1(C(=O)N[C@@H](CO)CN2CCCCC2)C[C@H]1Br	908118561	MTJTWJBDEJNVNG-WZRBSPASSA-N	319.243	1.123	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)CC1	822205391	UCLGBIBXUUGDCP-SNVBAGLBSA-N	322.336	1.500	50	20	DDGD	
CCCCNC(=O)NNC(=O)COc1cc(OC)ccc1C=O	734427123	BQMZPDCBOUVXKN-UHFFFAOYSA-N	323.349	1.017	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C1C(=O)Nc2c(F)ccc(Cl)c21	735410709	SFSLQWNPRFAUNL-UHFFFAOYSA-N	321.699	1.597	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1cc(-c2ccccc2)ns1	495325897	CJAWHKILWAEOPV-UHFFFAOYSA-N	320.330	1.136	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccccc1	826009593	CNPPWPZETDMVJH-XBFCOCLRSA-N	305.378	1.893	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCCCc1ccccc1	900384388	GTVCYDBHMYIOSK-UHFFFAOYSA-N	307.394	1.766	50	20	DDGD	
CCC[C@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)N(C)C	825224958	IBJOVMIZXJRHES-GFCCVEGCSA-N	303.370	1.040	50	20	DDGD	
OB(O)c1ccc(CN[C@@H](c2nccs2)C2CC2)c(F)c1	585027011	MWKQHYWHQWKCKV-CYBMUJFWSA-N	306.171	1.203	50	20	DDGD	
Cc1cc(C(=O)NN(C)[C@@H](C)CO)nn1-c1ccc(F)cc1	823939517	LGLLGCNZTQQNKT-NSHDSACASA-N	306.341	1.277	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCCCc1ccc(O)cc1	735761792	YGRZRJUCYSMJIZ-UHFFFAOYSA-N	319.283	1.608	50	20	DDGD	
O=C(NCc1cc(-c2ccccc2)no1)NNC(=O)C1CCC1	732450849	ZVPIQBSGXUKYMU-UHFFFAOYSA-N	314.345	1.972	50	20	DDGD	
CC(C)(C)[C@H]1C[C@H](NCc2ccc(B(O)O)cc2F)CCO1	585031655	IOUADKCFISPQIS-UKRRQHHQSA-N	309.190	1.189	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cccc(B(O)O)c1	584910597	CSJYGMIEVCCCPT-CHWSQXEVSA-N	301.176	1.479	50	20	DDGD	
C[C@@]1(C(=O)NCc2nc(C3CC3)no2)C[C@H]1Br	906334910	XHAKYZGAUAKTPL-RDDDGLTNSA-N	300.156	1.737	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC(CO)(c2ccccc2)CC1	490940196	IGJJUNHGNDBWON-SQFISAMPSA-N	314.385	1.983	50	20	DDGD	
CC(C)n1ccc(CNC(=O)NNC(=O)c2ccccc2)n1	738450006	UUCOGFFOJIIFOC-UHFFFAOYSA-N	301.350	1.608	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H](c2ccc(Cl)cc2)C2CC2)o1	585041949	XOZNJEKZJOCICS-OAHLLOKOSA-N	319.597	1.896	50	20	DDGD	
COc1ccc(CNCc2ccc(B(O)O)cc2F)c(C)c1	585028388	JBSBJZUMMLWXHN-UHFFFAOYSA-N	303.142	1.112	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)[C@H]1CCCCO1)c1c(C)noc1C	836376823	OKEPIYFQNYURJJ-NWDGAFQWSA-N	324.381	1.642	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-]	836488386	YCTOZVPNJQZUKD-UHFFFAOYSA-N	314.729	1.911	50	20	DDGD	
C[C@H](NCc1ccccc1B(O)O)[C@H]1CCCN(C2CCC2)C1	585034587	KEXLBRUJFBTYPO-HOCLYGCPSA-N	316.254	1.109	50	20	DDGD	
O=C(O)Cc1ccc(NC(=O)C(=O)NNc2ccccc2)cc1	833776014	OQPVVFPHGFHHFS-UHFFFAOYSA-N	313.313	1.396	50	20	DDGD	
CC1CCN(CCCCNC(=O)NNC(=O)C2CCC2)CC1	732240352	ANCVEVQUYLCSJH-UHFFFAOYSA-N	310.442	1.629	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21)c1ccccc1	906625423	PEEOFBKNMPQOKO-IACUBPJLSA-N	300.358	1.337	50	20	DDGD	
COc1ccc(OCC(=O)NN=C(C)c2cnccn2)cc1	734745842	ZSYNXXMIQNNTEO-UHFFFAOYSA-N	300.318	1.404	50	20	DDGD	
CON(C)C(=O)CCC(C)=NNC(=O)Cc1ccccc1F	834957417	VUJGDBKORGFIJI-UHFFFAOYSA-N	309.341	1.660	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@H]2C[C@H]2C(=O)O)c(Cl)c1	832948385	JZWGCOAASYQIMY-JGVFFNPUSA-N	311.725	1.522	50	20	DDGD	
CC(C)c1cnc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)s1	831728877	VZUQSNZTMQWACW-BDAKNGLRSA-N	312.395	1.844	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F	831854200	QVBPVJUZWWHDGK-UHFFFAOYSA-N	316.264	1.488	50	20	DDGD	
O=C(COCc1ccccc1)NN=C1C(=O)Nc2ccccc21	737438984	PZSKVJVIYJCONY-UHFFFAOYSA-N	309.325	1.676	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2cccc(-c3nn[nH]n3)c2)CCN1C	736222302	CENKWRDBQQAMRO-JTQLQIEISA-N	313.365	1.067	50	20	DDGD	
C[C@@]1(C(=O)N2CCC(c3nn[nH]n3)CC2)C[C@H]1Br	913745947	HXGMHYJGNKQKJZ-LDYMZIIASA-N	314.187	1.079	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CS[C@H](C)CC(=O)O)cc1	738260239	KMRWRDYHTXROJA-SNVBAGLBSA-N	310.375	1.352	50	20	DDGD	
COCCOCCC(=O)NNc1ccc(Br)nc1	732835933	CJVZXJSXLAMHRP-UHFFFAOYSA-N	318.171	1.340	50	20	DDGD	
Cc1ccc(NNC(=O)NCCn2cnc3ccccc32)nn1	732595398	QFRJBCRYFKPQTC-UHFFFAOYSA-N	311.349	1.461	50	20	DDGD	
COC(=O)CC1(COC(=O)/C(C#N)=C\c2cnn(C)c2)CC1	837970447	CYFVQITYYKSPFN-XGICHPGQSA-N	303.318	1.214	50	20	DDGD	
CCC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1ccsc1	834932397	HITWHVGKXDMUEY-LBPRGKRZSA-N	309.435	1.947	50	20	DDGD	
COc1ccc(Br)c(NNC(=O)CCC(N)=O)c1	910552030	BESUKRFSAFGEHH-UHFFFAOYSA-N	316.155	1.166	50	20	DDGD	
CCC[C@H](C)NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1cnn(C)c1	837969481	OFDZWIUBAINWFW-LWXDJZAGSA-N	318.377	1.564	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NOC2CCC2)c2ccccc21	836191448	FKSNKCKNHGZTHC-UHFFFAOYSA-N	302.334	1.606	50	20	DDGD	
C=C[C@@H](CC(=O)NNC(=O)CN1CCCC1=O)c1ccccc1	913732031	FNHCEPOGWLJOFP-ZDUSSCGKSA-N	315.373	1.116	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](C)c1cccc(Cl)c1	742069164	DJEFXEOIFMKJQH-QMMMGPOBSA-N	306.753	1.936	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1cccc2c1CCCC2	748641761	OWKXVJQGQRWWLX-UHFFFAOYSA-N	311.407	1.468	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)NCCc2cccs2)o1	746166930	LNATYKUNPPBTNN-UHFFFAOYSA-N	308.363	1.540	50	20	DDGD	
NNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1	917371853	ZQUQYSKQHJNORS-UHFFFAOYSA-N	309.322	1.230	50	20	DDGD	
C[C@H]1[C@H](CO)CCCN1C(=O)NNC(=O)c1ccc(C#N)cc1	841580023	FGLRYSJONUYXGQ-FZMZJTMJSA-N	316.361	1.005	50	20	DDGD	
C=CCOc1ccc(/C=C/C(=O)NN(C)C[C@H](C)O)cc1OC	910176482	CBXUKLWMNHXQKR-XOVSCCBYSA-N	320.389	1.617	50	20	DDGD	
C[C@@H](NC(=O)NNc1c(F)cc(F)cc1F)c1nncn1C	914164558	ISBQIDXHSMKUPB-ZCFIWIBFSA-N	314.271	1.620	50	20	DDGD	
CCCC[C@@H](CN)NC(=O)NNC(=O)c1cccc(C#N)c1	841956695	AYRDMQCBXJPEOH-ZDUSSCGKSA-N	303.366	1.020	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2ccccc2Br)CN1	748066358	OCJUZJVEVUDLKV-MRVPVSSYSA-N	312.167	1.418	50	20	DDGD	
Cc1c(C(=O)NN(C)C[C@@H](C)O)cnn1-c1cccc(Cl)c1	910174510	URYVNOITLZMNSE-SNVBAGLBSA-N	322.796	1.792	50	20	DDGD	
CCn1cc(C(=O)NN(C)[C@H](C)CO)c(-c2ccccc2)n1	911444309	DCJRZYZMEIRHTM-GFCCVEGCSA-N	302.378	1.527	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)c1ccncc1F	741206632	IELCBVLILHCYDB-UHFFFAOYSA-N	307.256	1.200	50	20	DDGD	
CC(C)(C)[C@H](O)C(=O)NNc1ncc(Br)cn1	848320936	CWAPJKSAVYXDCU-SSDOTTSWSA-N	303.160	1.089	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)COCc2ccccc2)[C@@H](C)[C@@H]1C	841582969	VXXNCFNZOYSVFZ-MCIONIFRSA-N	319.405	1.920	50	20	DDGD	
CCn1ccc(CC(=O)NNc2cccc(C(=O)OC)c2F)n1	846248944	IZPUSSHBBUQOCV-UHFFFAOYSA-N	320.324	1.515	50	20	DDGD	
CC[C@H](Nc1ccccc1)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843973452	LHFCDQNXLFFUCX-UBHSHLNASA-N	305.378	1.450	50	20	DDGD	
COC/C(C)=C\C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	845086820	DHHMAMQRDAINGM-RBJHHQRMSA-N	320.389	1.811	50	20	DDGD	
CO[C@H](CS(=O)(=O)NNC(=O)CC(C)(C)C)C1CCCC1	849307234	MNNTYSJZPPEROQ-GFCCVEGCSA-N	320.455	1.578	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1CCCN2CCCC[C@H]12	848402164	WUFGDGHKBZDNTI-GDBMZVCRSA-N	322.453	1.075	50	20	DDGD	
C[C@@H](CN)CNS(=O)(=O)c1ccc(CCCCl)cc1	842784981	JKONQVWSRNQELO-NSHDSACASA-N	304.843	1.731	50	20	DDGD	
CSc1ccc(O[C@H](C)C(=O)NNC(=O)NCC2CC2)cc1	740817910	CTNJJYLSJXKQKC-SNVBAGLBSA-N	323.418	1.916	50	20	DDGD	
COc1ccc2c(c1)OCC2=NNC(=O)NCC(F)(F)F	749158868	XKVQHYPMOGJEBY-UHFFFAOYSA-N	303.240	1.653	50	20	DDGD	
CC1=C(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CCC1	746773457	VOSVBVGLZXBBMC-AWEZNQCLSA-N	302.330	1.474	50	20	DDGD	
CC(=NNC(=O)C1CCN(c2ncccn2)CC1)C1CCC1	747631423	NIKXVVVBWHRFAZ-UHFFFAOYSA-N	301.394	1.985	50	20	DDGD	
C=CC[C@H](C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccccc1	843658895	SMOHQBXKYMHQTM-SNPRPXQTSA-N	302.374	1.919	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2ccn(CCN(C)C)n2)c1	847601139	JXOMQLPXAKQRCO-UHFFFAOYSA-N	305.357	1.649	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=Cc2cscn2)C[C@@H](C)O1	918711607	SOHROSIQDHLEJP-SDDRHHMPSA-N	310.423	1.339	50	20	DDGD	
O=C(COC(=O)[C@@H]1CC12CCCC2)NNC(=O)c1ccccc1	747727039	LCUUSFJVQQRHEX-ZDUSSCGKSA-N	316.357	1.571	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cnn(-c2ccc(F)cc2)c1	843896500	GLHVKXGSXFZWKT-UHFFFAOYSA-N	302.309	1.573	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCC[C@]1(O)CCCOC1	846598999	YFXPOLJACSANHP-OOXMNIKJSA-N	316.357	1.347	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C[C@H](OC)C(F)(F)F)n1	845691087	BRQYEGHQDFYTGN-ZETCQYMHSA-N	308.260	1.204	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2c(OC)ncnc2OC)c1	748913110	RNSPNDIUEMDNQY-UHFFFAOYSA-N	322.296	1.398	50	20	DDGD	
O=C(CCCn1cccn1)NNC(=O)c1ccc(Cl)nc1	748840520	MPTATTWSZSGSCA-UHFFFAOYSA-N	307.741	1.173	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)N1C[C@@H]2[C@H](C1)C2(F)F	846709826	UJYDXJGQMXIASA-BETUJISGSA-N	323.343	1.947	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1ccc(NC2CC2)nc1	740746679	DGWRKCVVUDRHAF-UHFFFAOYSA-N	310.321	1.079	50	20	DDGD	
CC[C@@H]1C(=O)NCCCN1S(=O)(=O)CC(C)(C)CCl	922012658	JJEOERBRLGWBPB-SNVBAGLBSA-N	310.847	1.182	50	20	DDGD	
COCCN(C)NC(=O)C[C@@H](C)n1cc(Br)cn1	843881821	FEQXNVQYDFBAPZ-SECBINFHSA-N	319.203	1.206	50	20	DDGD	
O=C(NCC(C1CC1)C1CC1)NNC(=O)c1cccc(F)n1	852709455	VPJNENHPJOHXBG-UHFFFAOYSA-N	306.341	1.601	50	20	DDGD	
C[C@]1(CN[C@@H]2C(=O)NCC23CCOCC3)C[C@@H]1Br	926737142	NIPBVQNLYRROMZ-HOSYDEDBSA-N	317.227	1.045	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)COc2ccccc2F)[C@@H]1C	858129283	GXOMAXRPXPJCFW-JNIYBQFBSA-N	324.352	1.411	50	20	DDGD	
C[C@@H](c1ccccc1)[C@@H](C)NCC(=O)NNC(=O)C(C)(C)C	754180129	GKZFJJQZFSTKMI-CHWSQXEVSA-N	305.422	1.962	50	20	DDGD	
COc1cncc(C=NNC(=O)CCNC(=O)OC(C)(C)C)c1	853329949	HHLCAWMPWZXSSK-UHFFFAOYSA-N	322.365	1.455	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)C(F)(F)c1nccs1)C1CC1	855098658	GNCZKIVNFWXARW-ZCFIWIBFSA-N	320.390	1.529	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)c1cc(C)cs1)[C@H]1CCCO1	858371421	ZYQDGNGIUFBXQG-GHMZBOCLSA-N	307.375	1.181	50	20	DDGD	
O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NNC(=O)NCC1CC1	920862115	ORGJVPLMEUFCND-YVMONPNESA-N	304.306	1.348	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(OCCOC)cc1	929570545	ZGJCKIKNCZIKDP-UHFFFAOYSA-N	319.361	1.668	50	20	DDGD	
C[C@]1(CNC(=O)c2ccc3nn[nH]c3c2)C[C@@H]1Br	857405311	QFWLIAAABTWALV-CMPLNLGQSA-N	309.167	1.861	50	20	DDGD	
C[C@H]1CN(C[C@@H](C)C(=O)NN=C2CCCN(C)CC2)C[C@@H](C)O1	758100693	XUJPSZWQXJXNDJ-KFWWJZLASA-N	324.469	1.320	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CC(=O)NNC(=O)Cc1cccnc1	754019028	ZXNDULPPKVQGDX-SNVBAGLBSA-N	316.361	1.570	50	20	DDGD	
C[C@@]1(CNC(=O)N2CCc3c[nH]nc3C2)C[C@@H]1Br	856953611	MGHJVIGNKZSANH-JQWIXIFHSA-N	313.199	1.651	50	20	DDGD	
CCCNC(=O)CCC(=O)NC[C@]1(C)C[C@H]1Br	857396394	BRYPPWSYFVDUDG-SKDRFNHKSA-N	305.216	1.583	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCc2cnccn2)c1C	855625032	HQYOSLAJAHUBRZ-UHFFFAOYSA-N	314.345	1.648	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)c2cccc(F)n2)c(C(C)C)n1	856424393	KLZFZTQYWHFATJ-UHFFFAOYSA-N	317.324	1.517	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccnc(-n3cccn3)c2)o1	752522789	CQVSUSSSPORVGL-UHFFFAOYSA-N	311.301	1.244	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1	755475857	ZVMGQQZRRGHDGW-UHFFFAOYSA-N	319.409	1.391	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C[C@@H]1CCCO[C@H]1c1nccn1C	853368043	ASGMBORGWUKVDI-XDQVBPFNSA-N	320.393	1.415	50	20	DDGD	
CCn1nccc1[C@@H]1OCCC[C@H]1C=NNC(=O)C(C)(C)O	853336692	JQLBDURSQCQGJO-WCQYABFASA-N	308.382	1.244	50	20	DDGD	
COC[C@H](C)CNC(=O)NNc1ccc([N+](=O)[O-])cc1F	853763041	DVKUVZYZQAMNHL-MRVPVSSYSA-N	300.290	1.643	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1Cc2cnn(C)c2C1	857876715	KGYHERYRPAVPHL-UHFFFAOYSA-N	307.785	1.628	50	20	DDGD	
COCc1cc(C(=O)NNc2cccc(C(=O)OC)c2C)no1	855626030	QEOAQNPUBBZTAG-UHFFFAOYSA-N	319.317	1.673	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C\c1cccc(NS(C)(=O)=O)c1	853003665	BJJVQQHTEOEDQW-QPEQYQDCSA-N	321.402	1.737	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN(C1CC1)[C@@H](C)C#N	852479009	AYEZIVYLZRXLHW-ZDUSSCGKSA-N	314.389	1.061	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccncc2)cc2n[nH]cc12	757817355	FVMJLBIZSGGGPT-UHFFFAOYSA-N	310.317	1.733	50	20	DDGD	
O=C(CN1CC[C@@H](c2ccc(F)cc2)C1)NNC(=O)C1CC1	755998055	IDYRTSBTKLFENC-CYBMUJFWSA-N	305.353	1.172	50	20	DDGD	
Cn1nncc1NNC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	857273741	VCZIUZDNVYPGNZ-SFYZADRCSA-N	311.267	1.479	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc2cnccc2n1)C1CC1	855095086	ISHLISXZSQUWJN-VIFPVBQESA-N	315.402	1.537	50	20	DDGD	
CC(C)(F)CCNC(=O)NNC(=O)COc1ccccc1O	852553418	QAPZVSXPLNYNGH-UHFFFAOYSA-N	313.329	1.240	50	20	DDGD	
CC(C)NC(=O)CCCC(=O)NNC(=O)OCC(F)(F)F	856023231	CVUILEMDHOSIRW-UHFFFAOYSA-N	313.276	1.001	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)cc[nH]1	862515370	SEKSPBNGWRZRTL-BJHJDKERSA-N	320.393	1.558	50	20	DDGD	
CC(=O)NNC(=O)c1cc(I)ccc1C	763738386	JBEPIDPUSYONKY-UHFFFAOYSA-N	318.114	1.381	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cncc(N2CCCC2)n1	864845260	PDNPCEHQHGZANJ-UHFFFAOYSA-N	303.366	1.028	50	20	DDGD	
COC[C@](C)(NC(=O)NNC(=O)c1ccccc1)C(F)(F)F	932336380	KSCAEPRUMCHJFU-LBPRGKRZSA-N	319.283	1.598	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COCc2ccccc2)ns1	766709951	MGDRUIRQNXVNMB-UHFFFAOYSA-N	305.359	1.429	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccccc1[S@@](=O)C(F)(F)F	935908120	FNWVXAQRCXILAN-OAQYLSRUSA-N	324.280	1.657	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NC1CCC(C(=O)O)CC1	864495073	BICGDWCNBYLUGE-UHFFFAOYSA-N	311.831	1.814	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(C(N)=O)nn1)C1CCCCC1	767149140	YVALAMZNQYRSBU-UHFFFAOYSA-N	305.382	1.625	50	20	DDGD	
O=C(CCCCCc1cccs1)NNC(=O)[C@H]1CCC(=O)N1	862456282	WVNSEKVQSDMSFQ-GFCCVEGCSA-N	323.418	1.277	50	20	DDGD	
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NNC(=O)NC1CC1	769732802	ODYFOOIBVIRMME-UHFFFAOYSA-N	306.322	1.626	50	20	DDGD	
CN(C)c1cccc(CNS(=O)(=O)CC(C)(C)CCl)n1	867011954	XWEXSLKBPLCSLV-UHFFFAOYSA-N	319.858	1.832	50	20	DDGD	
CN(C)C(=O)Cn1ccc(NC(=O)NNc2ccc(F)cc2)n1	769991617	AMFFIOOSCISRIB-UHFFFAOYSA-N	320.328	1.259	50	20	DDGD	
COc1ccc(C(=O)NNc2nccnc2OC)c(OC)c1	764484150	MEWVPBZOPKNMSS-UHFFFAOYSA-N	304.306	1.259	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CCC2(O)CCC2)ccc1F	868761723	PJHBUBFBKKZPQG-UHFFFAOYSA-N	310.325	1.751	50	20	DDGD	
COCc1c(C(=O)NNC(=O)C(C)C)cnn1-c1ccccc1	767045298	JWJSTNJEEHPZMJ-UHFFFAOYSA-N	316.361	1.436	50	20	DDGD	
Cc1cc(C(F)(F)F)ccc1C=NNC(=O)CS(C)(=O)=O	863187086	WXVNKYVNBSVMGL-UHFFFAOYSA-N	322.308	1.509	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)N(C)NC(=O)OCc1ccccc1	862285456	QMFKTZKBTINYEK-UHFFFAOYSA-N	316.361	1.950	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1)c1cn[nH]c1	862466247	FBZGSIYZJXDWLS-UKRRQHHQSA-N	312.373	1.830	50	20	DDGD	
CC(C)(C(N)=O)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	767920492	CSRRPJPLDNPOLC-UHFFFAOYSA-N	323.740	1.345	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cc(Cl)ccc1[N+](=O)[O-]	762093228	UPZZIJGMLLPRSW-UHFFFAOYSA-N	311.660	1.934	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@H]2OCCc3ccccc32)cc[nH]1	875279245	CKVQFJMDIIROFW-MRXNPFEDSA-N	312.373	1.752	50	20	DDGD	
C[C@]1(CNC(=O)NC2CC(C(=O)O)C2)C[C@@H]1Br	874408026	MAQIIRAXVRVOTQ-MEZNKKBTSA-N	305.172	1.322	50	20	DDGD	
Cn1c(=NNC(=O)NOC2CCOCC2)sc2ccccc21	773528502	DBKSMLGFZXBTHH-UHFFFAOYSA-N	322.390	1.465	50	20	DDGD	
CCc1noc(C)c1C(=O)NNC(=O)c1ccc(Cl)cc1O	776120282	VQFKWRMTJMMHCR-UHFFFAOYSA-N	323.736	1.979	50	20	DDGD	
CC(=O)N(CC(=O)NNc1cc(C)nc(C)n1)c1ccccc1	878897222	HOSCYTINNMWRFH-UHFFFAOYSA-N	313.361	1.590	50	20	DDGD	
O=C1CC[C@]2(C(=O)NNc3cc(Cl)ccn3)SCCN12	778451642	NXMHYJSOHYLZAL-GFCCVEGCSA-N	312.782	1.244	50	20	DDGD	
COc1ccc(F)cc1CC(=O)NNC(=O)c1ccccc1F	772847776	CSIFXDUHYVVESX-UHFFFAOYSA-N	320.295	1.977	50	20	DDGD	
O=C(CN1CCCNC1=O)NNc1cc(Cl)ccc1F	871272506	SNFCSVPWCQTEKN-UHFFFAOYSA-N	300.721	1.338	50	20	DDGD	
C[C@@H](NCC(=O)NNC(=O)C(C)(C)C)c1ccc(F)cc1F	774796758	BTTJXSSYORBCKC-SECBINFHSA-N	313.348	1.809	50	20	DDGD	
CSCC[C@H](O)C(=O)NNc1ccnc(Br)c1	771533673	UGVPOLAZBLIQNG-QMMMGPOBSA-N	320.212	1.401	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCc2nc3cccnc3[nH]2)n1	1116876414	WIOXEAVEAZBRSE-UHFFFAOYSA-N	324.344	1.055	50	20	DDGD	
C#CCCCCCC(=O)NNC(=O)COCc1ccccc1	779917884	SXWDIAMMUKPSJE-UHFFFAOYSA-N	302.374	1.934	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCCCN2C)c1	873774930	YSMXQQAIBYHKFQ-ZDUSSCGKSA-N	306.435	1.797	50	20	DDGD	
CC[C@@H](SC)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	772214178	KRDVMMSLFZZDKR-NXEZZACHSA-N	304.412	1.253	50	20	DDGD	
Cc1cncc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)c1	772161308	HUKQACXIFYKFIX-NSHDSACASA-N	307.350	1.129	50	20	DDGD	
COc1c(NC(=O)NCC(Cl)Cl)cccc1C(N)=O	879147039	UILADDCLHLYQTM-UHFFFAOYSA-N	306.149	1.719	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(NC(=O)C2CC2)cc1	878112253	OOEKBVAWOALQFJ-UHFFFAOYSA-N	306.322	1.770	50	20	DDGD	
CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)NNC(=O)C(C)C	770827500	FLYXZAKWNZFPCV-ZWNOBZJWSA-N	311.357	1.888	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(OC)cc1C	772160473	PLWQRRDNKFLCMD-SNVBAGLBSA-N	308.334	1.106	50	20	DDGD	
C=CCN(CC=C)[C@@H](CNC(=O)NN(C)C(=O)OC)C(C)C	875088142	XZPXYZWQNXPFQM-ZDUSSCGKSA-N	312.414	1.597	50	20	DDGD	
CSC1(CNC(=O)NNc2cccc(C)n2)CCN(C)CC1	875595632	CHIVNTBLIATMGM-UHFFFAOYSA-N	323.466	1.844	50	20	DDGD	
CCn1c(S)nnc1CCNC(=O)NNc1cccc(C)n1	875665572	LSHMMGGQVBNDIK-UHFFFAOYSA-N	321.410	1.159	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2ncc(C)cc2C)c1	779877155	DZWPWLRBKZZVMI-UHFFFAOYSA-N	313.357	1.847	50	20	DDGD	
CCCCn1cc(C(=O)NNC(=S)NCC2CCC2)c(C)n1	770227553	NNFWWTKANVZNMT-UHFFFAOYSA-N	323.466	1.901	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CC23CCSCC3)cc1O	882050957	KSBRXUYWPWIDMU-LBPRGKRZSA-N	320.414	1.995	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1ccc2ccccc2n1)C(C)C	777464376	LUYVIQHWKPZTHX-HNNXBMFYSA-N	300.362	1.839	50	20	DDGD	
COCCC1(C(=O)NNC(=S)NCCSC)CCCC1	770241332	XSTDZGFOWHEUBB-UHFFFAOYSA-N	319.496	1.442	50	20	DDGD	
CCC(=O)N1CCC[C@@H](C(=O)NNc2nccnc2C(C)C)C1	772861770	YDTDXRVVDBLKAE-GFCCVEGCSA-N	319.409	1.692	50	20	DDGD	
CC[C@@H]1CCC[C@@H](C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1	783821822	PMWRQYHTKDEAQR-JHJVBQTASA-N	300.424	1.740	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CN(C)[C@H]2CCSC2)c1	780796826	KYMMXWLLPORGDC-ZDUSSCGKSA-N	323.418	1.354	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@@H](CO)Cc1ccccc1	881915214	YDKBMBJUFATIFR-ZDUSSCGKSA-N	305.827	1.386	50	20	DDGD	
CC(=O)Nc1c(C)cccc1C(=O)NNC(=S)NC(C)(C)C	899992474	YVLJVMJIDGGNFJ-UHFFFAOYSA-N	322.434	1.861	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ccccn2)cc1OC	784801412	OABQAZYYWYWIRY-UHFFFAOYSA-N	316.317	1.181	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cc(C(C)=O)cn2C)c1	780795738	BQOADCPSBCQFRN-UHFFFAOYSA-N	315.329	1.771	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2ccc(Cl)nc2)n1	784846331	PCGAYBOHZBCFJO-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
N#CCCN(CCC#N)C(=O)COC(=O)/C(C#N)=C\C1CC1	786680408	JNSOYPROTQDETE-LCYFTJDESA-N	300.318	1.046	50	20	DDGD	
COC[C@H](NC(=O)NNc1cccc(C(=O)OC)c1)C(C)C	780835038	GVTNMUIEKGQYPA-ZDUSSCGKSA-N	309.366	1.770	50	20	DDGD	
CN1CCC[C@H]1c1cc(C(=O)NNc2ccc(Cl)cn2)n[nH]1	898978692	XUUDZUINLJITIG-LBPRGKRZSA-N	320.784	1.982	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ncccc1Cl	794415187	WYUUZBZVWGVSDN-UHFFFAOYSA-N	304.828	1.207	50	20	DDGD	
CC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)c1cc(C)n(C)n1	799870669	VQMANHCNMQERGO-UHFFFAOYSA-N	316.321	1.373	50	20	DDGD	
COCc1ncc(C(=O)NNc2ccccc2[N+](=O)[O-])s1	794739781	GRGWFZQCGQUTEI-UHFFFAOYSA-N	308.319	1.955	50	20	DDGD	
Cn1c(C=NNC(=O)c2ccc(O)c(O)c2)nc2ccccc21	794550198	BMYDPVYYMFSSQI-UHFFFAOYSA-N	310.313	1.748	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)CCOCC(F)F)c1	790853270	WIQADYFDUQSJDZ-UHFFFAOYSA-N	322.333	1.205	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2c[nH]c3ccccc23)SCCO1	798154171	ZREWPOAJWNVKKL-UHFFFAOYSA-N	317.370	1.924	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)[C@@H]1CC(c2cccnc2)=NO1	792406797	NSPKHRSZQBRMAS-AWEZNQCLSA-N	322.328	1.594	50	20	DDGD	
CC[C@H](C)CC[C@H](O)CC(=O)NNC(=O)NCc1ccco1	793207767	QSDBEBGSBJFJJJ-RYUDHWBXSA-N	311.382	1.687	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)COc1ccc(C#N)cc1	792801089	LPWDAUMTZBKEOY-ABAIWWIYSA-N	319.361	1.146	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cc(F)c(F)c(F)c2)c1Cl	1319406054	LPSORKIJFATYCP-UHFFFAOYSA-N	317.658	1.886	50	20	DDGD	
COC(=O)C(=O)NN=Cc1cc(Br)c(OC)s1	1319438710	JYVUTBQETANWMK-UHFFFAOYSA-N	321.152	1.142	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1nnc(-c2ccncc2)s1	1319738984	DFFIXOIKSCNEKJ-CSKARUKUSA-N	301.331	1.983	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)NOC[C@H]1CCOC1	1320649837	QOUZJZLEMKCBEQ-VIFPVBQESA-N	313.741	1.252	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC(C)(C)CCC#N)cc1	1323896818	PPFSWHPYGDQXBH-UHFFFAOYSA-N	318.377	1.969	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)COCc2ccncc2)cc1	1322809868	XDRSRIMYPHTGIG-UHFFFAOYSA-N	313.357	1.622	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)[C@@H](C)N1C(=O)CCC1=O	1325161591	NFLHPHQNUYGGDR-LLVKDONJSA-N	303.362	1.538	50	20	DDGD	
C[C@]1(CNC(=O)C[C@@H]2C=CS(=O)(=O)C2)C[C@@H]1Br	1331204404	YISSOSFBGFKXKO-ATZCPNFKSA-N	322.224	1.225	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C1(C)CN(C(=O)OC(C)(C)C)C1	1336577724	RTILUSDRMRKQDZ-UHFFFAOYSA-N	323.393	1.194	50	20	DDGD	
C[C@@]1(Cn2nnnc2N2CCCOCC2)C[C@H]1Br	1336189467	WAKXGERAJYMJEK-KOLCDFICSA-N	316.203	1.073	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COCc2ccncc2)c(O)c1	1346381500	XKIMFTKEVXIZQA-UHFFFAOYSA-N	315.329	1.073	50	20	DDGD	
CC(=NNC(=O)c1n[nH]c2c1CCCC2)c1cccc(CO)c1	1261235788	IOMAMBVPFUWRSB-UHFFFAOYSA-N	312.373	1.935	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC(Cc2nncn2C)CC1	1520721688	WTJRMHXLDZBTTA-JLHYYAGUSA-N	303.366	1.040	50	20	DDGD	
O=C(Cc1cnn2c1CCCC2)NNc1ccccc1C(=O)O	1601371973	LAFJLORKYSIYOQ-UHFFFAOYSA-N	314.345	1.603	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C(=O)O)c1cccc2ccccc12	1604289859	BYCFPTDAJNPGGB-VIFPVBQESA-N	301.302	1.316	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C1CCC[C@H](C(=O)O)C1	1607346643	IZENHLOLXJFSGM-NSHDSACASA-N	319.361	1.854	50	20	DDGD	
O=C(COCCc1ccccc1)NNc1ccc(C(=O)O)cn1	1601338496	MOISPEMTSSTTDY-UHFFFAOYSA-N	315.329	1.482	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(C)c(C(=O)O)c2)n(C)n1	1605786071	QMODRIRMQDJPBW-UHFFFAOYSA-N	302.334	1.746	50	20	DDGD	
O=C(NN=C1C[C@H]2C[C@@H](C(=O)O)[C@H]1C2)c1n[nH]c2c1CCCC2	1608477125	FUXRPULCQOURTC-FBIMIBRVSA-N	316.361	1.505	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(F)c(C(=O)O)c(F)c1	1606880994	SZJYHXYJIAYDFD-UHFFFAOYSA-N	303.265	1.278	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@H](C(=O)O)c2cccs2)cn1	1600947839	VZUSELQSFMBUEX-JSJZCHLLSA-N	316.342	1.331	50	20	DDGD	
CC1=C(C(=O)NNc2ccc(C(=O)O)c(F)c2)C(=O)OC1(C)C	1604607217	FDXYGPRENYKQNV-UHFFFAOYSA-N	322.292	1.619	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc2oc(C(=O)O)cc2c1	1606487663	BPGSJMGSRRFIKO-UHFFFAOYSA-N	307.262	1.866	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@H](C(=O)O)[C@@H]1C	1608009792	ZQQVIRSJINWQQV-ONGXEEELSA-N	313.785	1.674	50	20	DDGD	
Cc1cc(C(=O)N(c2nc(CC(=O)O)cs2)N(C)C)on1	1600080406	XBCIDHVMXHZPCK-UHFFFAOYSA-N	310.335	1.190	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2cccc(C(=O)O)c2)c2ncnn21	1604676116	KAJHOKTYBWWBIQ-KWQFWETISA-N	316.321	1.308	50	20	DDGD	
Cc1c(NNC(=O)C(C)(C)n2cccn2)cccc1C(=O)O	1607551038	VUVLCNLYHXPXJA-UHFFFAOYSA-N	302.334	1.768	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC[C@H]1C(=O)O)c1cccc2ncccc12	1605815864	VZVHWXPIGAMJPD-NWDGAFQWSA-N	313.313	1.107	50	20	DDGD	
CCc1cc(NC(=O)NNc2cccc(C(=O)O)c2)nn1C	1605800661	FSLALPRMBHVDTP-UHFFFAOYSA-N	303.322	1.829	50	20	DDGD	
COc1cccnc1NC(=O)NNc1cccc(C(=O)O)c1	1610369167	MVQRSTDRBGHPLA-UHFFFAOYSA-N	302.290	1.937	50	20	DDGD	
Cc1cc(C)c(C(=O)NNc2ccc(C(=O)O)cn2)cc1C=O	1610451090	QEUMJBHPADGXFC-UHFFFAOYSA-N	313.313	1.966	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)C2(N3CCOCC3)CCC2)c1	1610848455	IGVANFGDPCXPMX-UHFFFAOYSA-N	319.361	1.083	50	20	DDGD	
CCc1noc(C)c1C(C)=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549319064	SIANXZQQEADZFP-JSGCOSHPSA-N	320.393	1.249	50	20	DDGD	
CCN[C@H](C)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	1577806359	BNNPYNQOMLPXLI-SNVBAGLBSA-N	309.435	1.776	50	20	DDGD	
CC[C@@H](C)C[C@@H](N)C(=O)NNC(=O)c1c(C)nc2ccccn12	1576984293	WWVPKDZLONTLLQ-ZYHUDNBSSA-N	317.393	1.167	50	20	DDGD	
CCNCc1ccccc1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	1577878198	DNGDAIBHWCNVBR-AAEUAGOBSA-N	320.393	1.374	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2NCCc3cc(C#N)ccc32)n1	1579591082	ZUBANOYRWWXMIO-OAHLLOKOSA-N	322.372	1.295	50	20	DDGD	
CC1(C)CN[C@H]1C(=O)NNC(=S)Nc1cccc(Cl)c1	1573613934	AANARXKVWYVHEQ-JTQLQIEISA-N	312.826	1.656	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cocn1)C2	1845164237	UNFRWMBSZSXAJI-SNVBAGLBSA-N	311.769	1.509	50	20	DDGD	
CC(C)[C@@H](C(=O)O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	1588808330	XAQWOURYZNDLNJ-CQCMJFKXSA-N	322.405	1.707	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)C1=COCC1)C2	1845168052	IQYOLXBHXDVLHR-LBPRGKRZSA-N	312.797	1.511	50	20	DDGD	
CCOc1ccc(NNC(=O)c2ccc(C(=O)O)cn2)cc1	1597126144	WLVALYWLVZBPLO-UHFFFAOYSA-N	301.302	1.935	50	20	DDGD	
COc1cccc(NCC(=O)NN=C2CC[C@@H](C(=O)O)C2)c1	1599680061	WFDUWPQJCODDAS-SNVBAGLBSA-N	305.334	1.464	50	20	DDGD	
O=C(O)[C@H](C(=O)NNc1ccnc(Br)c1)C1CC1	1594835805	LJWRNEMTLZYECQ-VIFPVBQESA-N	314.139	1.398	50	20	DDGD	
CN(C)c1cc(C(=O)NNc2ccc(CC(=O)O)cc2)ccn1	1598293420	WYUUQZHHZRVPFG-UHFFFAOYSA-N	314.345	1.532	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@@H]1CCC(=O)c2cccn21	1595261910	LSLMBBGVZIRYOZ-NSHDSACASA-N	314.301	1.242	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cc(Cl)no1	1593162435	QPMMHVQJEHVAOD-UHFFFAOYSA-N	305.685	1.265	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1cscc1-c1nn[nH]n1	1593166874	PYXMCIMOSGSMKJ-UHFFFAOYSA-N	321.753	1.155	50	20	DDGD	
NCC(=O)Nc1ccc(C2(NC(=O)[C@H](F)Cl)CCC2)cc1	1787971169	BOSGKMBJHFFDJT-LBPRGKRZSA-N	313.760	1.614	50	20	DDGD	
CC(C)Oc1cc(CNC(=O)NNc2ncccn2)ccn1	151838558	WYOHRTWYVHSFMB-UHFFFAOYSA-N	302.338	1.485	50	20	DDGD	
COc1ccc(NNC(=O)NCCc2nc(C(C)C)no2)nc1	157238440	MMXBRBIVWFYAJT-UHFFFAOYSA-N	320.353	1.465	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2ccncc2Cl)c1	154666148	NADCBYYLIJFPHE-UHFFFAOYSA-N	304.737	1.852	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(c2ccc(Cl)cn2)CC1	159190021	BXXQAVCBLOWSQY-QXMHVHEDSA-N	320.780	1.828	50	20	DDGD	
Cc1ccc(C)c(S(=O)(=O)NNC(=O)c2cccn2C)c1	21633028	VKIYTUQZOIMLJF-UHFFFAOYSA-N	307.375	1.265	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1ccc(-n2ccnc2)cc1	24050642	HVUXHSBPAQKVPF-UHFFFAOYSA-N	322.324	1.653	50	20	DDGD	
CCN(CC(=O)NNC(=O)C1CC1)Cc1c(F)cccc1F	112979449	AWQAIYUZLKPLMS-UHFFFAOYSA-N	311.332	1.344	50	20	DDGD	
O=C(NC[C@@H](c1ccco1)N1CCCC1)NNc1cccnn1	172483026	JWOSUQBFTDYZTF-LBPRGKRZSA-N	316.365	1.533	50	20	DDGD	
COc1ncccc1C(=O)NNC(=O)Cc1ccccc1F	66785248	CTFFASSSAHLCOU-UHFFFAOYSA-N	303.293	1.233	50	20	DDGD	
C[C@H]1C[C@H](CC(=O)NNC(=O)N2CCOCC2)CC(C)(C)C1	170757617	YICZRUXWJPCVAI-QWHCGFSZSA-N	311.426	1.912	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNc2nccnc2Cl)cc1	114893630	CIZOUBVQFLZWRC-UHFFFAOYSA-N	305.725	1.845	50	20	DDGD	
O=C(CCCNC(=O)c1ccsc1)NNc1cnccn1	114881374	YFNUYVVEOGODKC-UHFFFAOYSA-N	305.363	1.191	50	20	DDGD	
Nc1cc(C(=O)NNC(=O)NC2CCCCC2)cc(Cl)n1	171181714	DZXAKVRBFCKSHR-UHFFFAOYSA-N	311.773	1.594	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)c2cnn(C)c2)sc1C	24457973	UQLTYMWTNBEKQP-UHFFFAOYSA-N	306.391	1.817	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cc3c(s2)CCCC3)cn1	24315492	NZEJDDXRORWXCH-UHFFFAOYSA-N	304.375	1.435	50	20	DDGD	
Cn1ccc(C(=O)NNC(=O)c2cc3ccccc3o2)cc1=O	177754115	PTJLWCHYVRZBKW-UHFFFAOYSA-N	311.297	1.206	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCC(=O)c1ccccc1	65208154	HBILNLUXLZVEBP-UHFFFAOYSA-N	307.350	1.016	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCc2ccco2)ccc1[N+](=O)[O-]	65177856	BSTXKFHJVXXQJF-UHFFFAOYSA-N	318.289	1.640	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)Cc2ccoc2)cn1	120934619	YVDCTTNPOGDBCA-UHFFFAOYSA-N	306.347	1.244	50	20	DDGD	
O=C(CCC1CCCC1)NCC(=O)NNc1ncc(F)cn1	123128573	FHSDINCLJFNISE-UHFFFAOYSA-N	309.345	1.145	50	20	DDGD	
O=C(CCCc1ccc(F)c(F)c1)NNC(=O)[C@@H]1CCCO1	120240419	WBHQNKYPJLLRJK-ZDUSSCGKSA-N	312.316	1.614	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCC(C)(C)N1CCOCC1	185057582	TTXPRYDIQNSUFZ-UHFFFAOYSA-N	324.400	1.871	50	20	DDGD	
CC(=O)N1CCC[C@@H](C(=O)NNc2ccc3ccccc3n2)C1	181098738	CZNDXNNMGTYXAS-CQSZACIVSA-N	312.373	1.936	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(C)c(-n2cnnn2)c1	183616509	UZGQJSCATQFEBU-SECBINFHSA-N	317.353	1.170	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cc(C)cc(F)c2)nc1	124295117	VBRSQFSBIQLYLP-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
CCNc1ncc(C(=O)NNC(=O)CCc2ccccc2)s1	128433818	GXSFLIGLDNMERN-UHFFFAOYSA-N	318.402	1.969	50	20	DDGD	
CCC[C@@H](C)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12	78230281	WUXUXLBAPSBNSX-SNVBAGLBSA-N	316.361	1.131	50	20	DDGD	
O=C(NNc1ccncc1)Nc1ccnn1C[C@H]1CCOC1	123214756	DSEGGALPZUVPIC-LLVKDONJSA-N	302.338	1.463	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc3cccc(OC)c3o2)n1	73920818	ZFKGMCMJHJZQNF-UHFFFAOYSA-N	314.301	1.997	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)COc2ccc(F)cc2)no1	78263231	HELUEAZEPNGJLL-UHFFFAOYSA-N	308.269	1.354	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)c2cccc(OC(F)F)c2)cn1	74565882	OIMZCPGLEKNLBA-UHFFFAOYSA-N	324.287	1.579	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)C1(O)CCCCC1	188218934	DLMNGMKNERLJFR-UHFFFAOYSA-N	319.390	1.738	50	20	DDGD	
O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)CC1CCCC1	78530407	WYGOVKNTRBSBIB-UHFFFAOYSA-N	321.333	1.701	50	20	DDGD	
COc1c(C(=O)NN(C)C(N)=O)sc(C)c1Br	181079953	PCWKXTPXIGVMDL-UHFFFAOYSA-N	322.184	1.483	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)/C=C/c2ccc(Cl)nc2)[nH]n1	89421649	DDPZOGNKPWXDGI-HWKANZROSA-N	305.725	1.241	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)CCc1ccncn1	192343867	UCDJBTXRIGWNBU-UHFFFAOYSA-N	312.373	1.580	50	20	DDGD	
CC(C)CNC(=O)CNC(=O)/C(C#N)=C/c1ccc(O)cc1	41694976	TXIIERBINWLLKH-NTUHNPAUSA-N	301.346	1.188	50	20	DDGD	
CCCNC(=O)CCC(=O)NNc1ccc(C(F)(F)F)cn1	131907450	CHHYZNVDJOIVLK-UHFFFAOYSA-N	318.299	1.850	50	20	DDGD	
O=C(CSc1ccncc1)NNC(=O)NCc1ccco1	139010449	HDMRXSCRCRQSTC-UHFFFAOYSA-N	306.347	1.297	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3ccnnc3)[nH]n2)cc1	130455555	WOEDKXMWGZWIHM-UHFFFAOYSA-N	322.328	1.250	50	20	DDGD	
C=CCNc1ncc(C(=O)NNc2nc(C)cc(C)n2)s1	136108634	RQEGTHSYZZABNU-UHFFFAOYSA-N	304.379	1.905	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(-c2ccccn2)ccc1Cl	132423926	OFDNBHXFXNSJPI-UHFFFAOYSA-N	304.737	1.976	50	20	DDGD	
O=C(NNc1ccc(F)cc1)[C@@H]1CC(=O)N(Cc2ccco2)C1	45970510	CRVZNTXCFHWVGO-LLVKDONJSA-N	317.320	1.911	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)CSCC#N)c1C	46024777	JMAKTZWSCPJDGF-LBPRGKRZSA-N	321.402	1.475	50	20	DDGD	
CCN(CC)CCCNC(=O)NNC(=O)c1ccccc1F	43004528	LYDQKFNEVTYSDJ-UHFFFAOYSA-N	310.373	1.502	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)c1ccn(CC(F)F)n1	194357834	MLUDHRJRQAFFER-UHFFFAOYSA-N	324.316	1.910	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc(F)cc(Br)c1	194917736	VGOQNXNEZPRQNX-UHFFFAOYSA-N	304.119	1.504	50	20	DDGD	
CC[C@H](NNC(=O)CNc1c(C)cc(C)cc1C)C(=O)OC	192829480	HOOZJRHRPIIVLY-ZDUSSCGKSA-N	307.394	1.596	50	20	DDGD	
N#Cc1ccc(CCC(=O)NNc2nc3ccccn3n2)cc1	191889287	SNYZVGJQYNUQOF-UHFFFAOYSA-N	306.329	1.677	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H](C)OCc1cccc(OC)c1	143287434	LKORNPCPJWUVFV-NSHDSACASA-N	323.418	1.282	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C\c1cnn(-c2ccccc2)c1	255670880	OYTSGHUIANBTMV-ATDKOCKZSA-N	310.357	1.930	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(CNC(=O)OC)cc1	265259693	DALVWGILUZIFQY-ZRDIBKRKSA-N	303.318	1.925	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H]2CCCc3cn[nH]c32)n1	268942488	FMSZNSFFIOXRPS-JTQLQIEISA-N	317.353	1.220	50	20	DDGD	
Cc1c(NNC(=O)NCCOCC2CC2)cccc1[N+](=O)[O-]	264528416	JTNCXAVGJITXPJ-UHFFFAOYSA-N	308.338	1.956	50	20	DDGD	
CO[C@@H](C)CCC(=O)NNC(=O)c1ccc(Cl)cc1O	272802400	GJPUUXNHNWHUIA-QMMMGPOBSA-N	300.742	1.622	50	20	DDGD	
CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NC(=O)NNC(=O)c1ccccc1	365672058	PBJQKMNGHWODAK-MCIONIFRSA-N	317.389	1.834	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1C[C@H](C2CC2)O[C@H](C)C1	279678397	PPVHDMAVLOKHJP-IUODEOHRSA-N	317.389	1.849	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1	273514161	RKMLLAZMNFDRFM-MRVPVSSYSA-N	310.310	1.802	50	20	DDGD	
CCC(O)(CC)CCNC(=O)NNc1nc(C)cc(OC)n1	276298394	NRHUYHAFIHYXAP-UHFFFAOYSA-N	311.386	1.361	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@H](C)[C@H]2CCOC2)cc(C#N)n1C	271007718	MKCMBVWUHSGIAW-VFPCVLQYSA-N	312.373	1.653	50	20	DDGD	
CC(=O)N1CC(C(=O)NNc2cc(Cl)cc(Cl)c2)C1	276724050	AUOWGLCSVIBIJH-UHFFFAOYSA-N	302.161	1.915	50	20	DDGD	
CC(C)(C)[C@H]1CN(CC(=O)NNC(=O)c2ccccc2)CCO1	279645249	BEWGLYHVQRUFLQ-CQSZACIVSA-N	319.405	1.195	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2	372277209	GELCVOMJJKLPIH-LURQLKTLSA-N	324.299	1.898	50	20	DDGD	
O=C(NNc1cnccn1)Nc1ccc(O[C@H]2CCOC2)cc1	271398536	MFIWDATUQXDYPS-ZDUSSCGKSA-N	315.333	1.793	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2occ3c2CCOC3)c(O)c1	376096910	XVHBVVGRUYPVHQ-UHFFFAOYSA-N	316.313	1.441	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H]2C[C@]23CCOC3)c1	375809939	FUKBROHFTUILPW-DYVFJYSZSA-N	318.373	1.256	50	20	DDGD	
O=C(CCOC1CCOCC1)NNC(=O)Nc1ccccc1	283791732	UDXGGKXCXDKEAP-UHFFFAOYSA-N	307.350	1.425	50	20	DDGD	
CSSCCNC(=O)[C@H]1CC(C(=O)OC(C)(C)C)=NO1	285863151	ZFFRHCCVSVJZOK-SECBINFHSA-N	320.436	1.600	50	20	DDGD	
CSSCCNC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O	375904232	UAOAYJAKTRNPJA-NKWVEPMBSA-N	316.370	1.571	50	20	DDGD	
COC(=O)COCC(=O)NNc1ccc(OC(F)(F)F)cc1	287901455	CMOVDMMRTVZUQD-UHFFFAOYSA-N	322.239	1.218	50	20	DDGD	
Cc1cccc(CCNC(=O)NNc2nc(C)cc(C)n2)n1	281706519	WBJUTAZBZJQUBH-UHFFFAOYSA-N	300.366	1.666	50	20	DDGD	
Cn1cc(C#N)c(=O)n(CCO[Si](C)(C)C(C)(C)C)c1=O	298132829	AOHFAYOSZFXUGX-UHFFFAOYSA-N	309.442	1.440	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNc1ccc(-c2ccccc2)nn1	807031863	KQJURXQQIMMSHE-UHFFFAOYSA-N	321.340	1.808	50	20	DDGD	
C[C@H]1CC(=NNC(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc21	807966819	QYTJPXWBPOHVCU-QWRGUYRKSA-N	321.402	1.384	50	20	DDGD	
CSSCCNC(=O)N1CCC[C@H](CNC(C)=O)C1	807229521	ADXMYGAYJPJCSN-LLVKDONJSA-N	305.469	1.555	50	20	DDGD	
CN(NC(=O)c1ccc(O)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C	297126446	GSFNLONKZJKFJI-UHFFFAOYSA-N	311.294	1.812	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc(O[C@@H]2CCOC2)cc1	294125399	KTGXQVBMMVXTKV-CQSZACIVSA-N	304.346	1.415	50	20	DDGD	
Cc1ccc2nc(CNC(=O)NNC(=O)C(C)(C)C)cn2c1	298966855	YXZDTAOTPKFAKW-UHFFFAOYSA-N	303.366	1.519	50	20	DDGD	
COCCCCCNC(=O)NNC(=O)COc1ccc(C)cc1	299424205	LENNKCKTFSMJSH-UHFFFAOYSA-N	323.393	1.521	50	20	DDGD	
CC(C)c1nc(C(=O)NNC(=O)N=c2cc[nH]cc2)cs1	802029646	SIDBPECZXLZYPD-UHFFFAOYSA-N	305.363	1.550	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](Cc2ccccc2)OC)n1	295265899	LFITYUATSQIKOY-ZDUSSCGKSA-N	316.361	1.494	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C(C)(C)C)no1	295601840	CHQFPZVFJCUUHC-AAEUAGOBSA-N	323.393	1.839	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@H](C)OCC)cc1	298389269	DNQBDEMXZIRKQI-RYUDHWBXSA-N	324.377	1.425	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2cccc([N+](=O)[O-])c2)sn1	806969091	XUUHFIOJEDZMQL-UHFFFAOYSA-N	321.318	1.442	50	20	DDGD	
O=C(/C=C/c1ccc(F)c(F)c1)NNC(=O)[C@@H]1CCCCO1	295572666	BGEFTURMAYYEGP-IYNGYCSASA-N	310.300	1.695	50	20	DDGD	
Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NN(C)C1CC1	819647276	KPKBMJXWRNLMKZ-CQSZACIVSA-N	318.356	1.030	50	20	DDGD	
CCOC1CC(=NNC(=O)c2cc(OC)c(OC)c(OC)c2)C1	814698639	MNGRCIBBIMKYDD-UHFFFAOYSA-N	322.361	1.997	50	20	DDGD	
COc1cc(Cl)cc(C(=O)NNC(=O)Cc2ccncc2)c1	815746623	OSFFEAJSMIMONY-UHFFFAOYSA-N	319.748	1.747	50	20	DDGD	
C[C@@H](Oc1cccc(C=NNC(=O)[C@@H]2CCCS2)c1)C(=O)O	819826724	MPNQBTFJDQHDCZ-MFKMUULPSA-N	322.386	1.884	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1csc(C(=O)O)c1	814864566	GBAXFVMPQMRTBW-VIFPVBQESA-N	314.363	1.338	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@]2(C)CC2(F)F)c(OC)c1	817432204	JFBRIUNKKIINND-ZDUSSCGKSA-N	314.288	1.510	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Nc2ccn3ccnc3c2)c1	810232145	VRTRDRLLQWRUBE-UHFFFAOYSA-N	320.312	1.672	50	20	DDGD	
COc1ccc(CN(C)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	827315965	XCWWRDCCAXPPOM-FZMZJTMJSA-N	321.377	1.293	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)Cc1ccc(F)cc1Br	823935409	RKYMDYSLPZNPQD-MRVPVSSYSA-N	319.174	1.475	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)Cc1ccc(Br)cc1F	823912575	IKEIBNUJCPMNOL-MRVPVSSYSA-N	319.174	1.475	50	20	DDGD	
Cc1ccc([C@H](C)NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	825681788	NSEJSTIYUZYAMU-OBJOEFQTSA-N	305.378	1.811	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)[C@@H](C)CN1CCCCC1	491350725	PSLMMBKQPUGFMA-AWEZNQCLSA-N	301.394	1.088	50	20	DDGD	
CCN(CCO)NC(=O)[C@H]1CCCN1Cc1ccc(F)cc1	823865283	MQBRFHOMFFZODX-OAHLLOKOSA-N	309.385	1.136	50	20	DDGD	
CN(C)[C@H](CNC(=O)/C(C#N)=C/c1cnn(C)c1)c1ccco1	490970503	HEMOIGBBYKKCSU-WTWVRAIASA-N	313.361	1.339	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc(Cl)o1	826447193	SIEKRYUOVRYGNB-UHFFFAOYSA-N	304.697	1.870	50	20	DDGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cn(C)nn2)cc1OC	490662605	BXKRXNGKOBDDDS-POHAHGRESA-N	313.317	1.378	50	20	DDGD	
COCc1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)o1	826164127	BZHWKTODUNQPRL-UHFFFAOYSA-N	314.305	1.363	50	20	DDGD	
CC(=NNC(=O)c1ccoc1)c1ccc(-c2nn[nH]n2)c(F)c1	823953906	VCKLHQVPBOLTNJ-UHFFFAOYSA-N	314.280	1.753	50	20	DDGD	
CCNC(=O)NNC(=O)CCCOc1ccc(CCOC)cc1	729968738	PMYIPOYQEJSUJC-UHFFFAOYSA-N	323.393	1.385	50	20	DDGD	
C[C@@H]1CN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C[C@@H](CO)O1	490692945	HYNQXOCQYMURMB-XNGVPUGWSA-N	304.321	1.341	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCC(C)(C)c1cccnc1	826979294	LADULJRNPISMIB-WCQYABFASA-N	320.393	1.115	50	20	DDGD	
O=C(CC1CC(F)(F)C1)NNC(=O)c1ccc2c(c1)OCO2	823602611	PAVYATSVHPVBIY-UHFFFAOYSA-N	312.272	1.612	50	20	DDGD	
O=C(CCc1nc2ccccc2s1)N1CC[C@H](B(O)O)C1	585070964	JRYIDPLYHNDFGD-JTQLQIEISA-N	304.180	1.304	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc(O)n1	826259992	QFEOPIRBLYGAGG-UHFFFAOYSA-N	311.305	1.033	50	20	DDGD	
Cc1oc(-c2cccs2)nc1CC(=O)N1CC[C@H](B(O)O)C1	585070522	YZNOMJRCFDEBJU-JTQLQIEISA-N	320.179	1.329	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@H](NC(=O)/C(C#N)=C\c2cnn(C)c2)C1(C)C	491048323	KVNPECPHOVDKRJ-CKOBNQCFSA-N	302.378	1.503	50	20	DDGD	
CN(C(=O)c1cccc(B(O)O)c1)[C@@H]1CCC[C@H]1c1ccccc1	585000162	ZONGEJXDJHARQB-ZWKOTPCHSA-N	323.201	1.775	50	20	DDGD	
O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccc(B(O)O)c(F)c1	584949828	AAKHCBGMNASDGO-DMDPSCGWSA-N	305.158	1.204	50	20	DDGD	
CC(C)(c1nc(-c2ccc(B(O)O)cc2)no1)C1CCOCC1	585054833	MZXUCCKEDCBREN-UHFFFAOYSA-N	316.166	1.121	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccc2c(=O)[nH]ccc2c1	824693795	IRXHJXWDTBJACN-UHFFFAOYSA-N	300.318	1.481	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2	822731707	LTXJVWRKDFGYIK-IVZWLZJFSA-N	320.320	1.671	50	20	DDGD	
COc1ccc2cc(C(=O)NNC(=O)NC(C)C)cnc2c1	906443852	SYPPXONHDNZXEC-UHFFFAOYSA-N	302.334	1.596	50	20	DDGD	
CC(C)[C@@H]1N(C(=O)c2ccc(B(O)O)cc2)CC12CCCC2	585001532	WVNJWIJXFQRUHX-HNNXBMFYSA-N	301.195	1.407	50	20	DDGD	
COC(=O)C[C@@H](C)S[C@H](C)C(=O)NNC(=O)CC(C)C	734983366	STCHIQOHCRJZJS-NXEZZACHSA-N	304.412	1.253	50	20	DDGD	
CCOc1ccccc1[C@@H](CC(=O)NNC(=O)OC)NC(C)=O	495366987	LQUQDFKWBQBQJB-GFCCVEGCSA-N	323.349	1.040	50	20	DDGD	
CCC[C@H](C)C(=O)NCCNC(=O)[C@]1(C)C[C@H]1Br	908381498	NTCKILMDJFTNIQ-OPQQBVKSSA-N	319.243	1.829	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NN=C[C@H]1CCCOC1	495649257	BVKCGKBZQJNTDY-GFCCVEGCSA-N	313.398	1.820	50	20	DDGD	
COC(=O)c1cc(OC(=O)Cn2cc(C)cn2)ccc1[N+](=O)[O-]	732651250	BOWCCXYQKPPCHD-UHFFFAOYSA-N	319.273	1.492	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1C[C@@H](C)OC2(CCC2)C1	825551717	NTOMOCZEKQPEDV-CYBMUJFWSA-N	317.389	1.993	50	20	DDGD	
CNC(=O)Nc1cccc(C(=O)NNC(=S)NC(C)(C)C)c1	905342579	JSWFOESFSIYKIA-UHFFFAOYSA-N	323.422	1.345	50	20	DDGD	
COC(=O)[C@@H](C)N(C(=O)/C(C#N)=C/c1cnn(C)c1)C1CCC1	490973685	LWVYMOIHVYNDHN-ZTFCMROMSA-N	316.361	1.270	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1cc(F)c(F)c(F)c1	836422691	SSPGDOVQCLFSOC-SNVBAGLBSA-N	317.267	1.826	50	20	DDGD	
Cn1cnnc1CCCNC(=O)/C(C#N)=C\c1ccc(F)cc1	491135929	UYDSFRJMMJULMB-LCYFTJDESA-N	313.336	1.610	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	900436228	WRFSIGJZJCDSCW-DUVNUKRYSA-N	318.373	1.418	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc2cc(F)ccc2o1	833250220	DOMSBZUEXBPEBA-LBPRGKRZSA-N	306.293	1.902	50	20	DDGD	
C[C@H](C(=O)O)n1cccc1C=NNC(=O)NCC(F)(F)F	833406556	NPZVUQAMOYHZIP-SSDOTTSWSA-N	306.244	1.329	50	20	DDGD	
O=C(NNC(=O)c1ccc(Br)s1)C1=COCC1	734119505	ADCJHMMRPSTDFM-UHFFFAOYSA-N	317.164	1.576	50	20	DDGD	
CC(=O)N[C@@H](CCC(C)C)C(=O)NNc1cccc(C#N)c1	830767167	WONAQUDTWXXTHN-HNNXBMFYSA-N	302.378	1.942	50	20	DDGD	
CCCn1nccc1C(=O)NNC(=O)Cc1ccccc1C	830332536	YRPOJHKAQJDJDL-UHFFFAOYSA-N	300.362	1.605	50	20	DDGD	
C[C@H](CCCc1cccnc1)NCC(=O)NNC(=O)C(C)(C)C	839146074	WEPRQSAYKGHOSV-CYBMUJFWSA-N	320.437	1.576	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1ccc(C(=O)O)nc1	832980964	RTYZTVUBIRTAHQ-UHFFFAOYSA-N	313.313	1.092	50	20	DDGD	
C[C@H]1CC[C@H](NC(=O)NNC(=O)Nc2ccc3c(c2)OCO3)C1	836414872	BXAYTDPTQNHQIO-UWVGGRQHSA-N	320.349	1.940	50	20	DDGD	
Cc1nc(C=NNC(=O)c2ccnc(N(C)C)c2)sc1C	901185281	NLJCWIGPOVNAAM-UHFFFAOYSA-N	303.391	1.985	50	20	DDGD	
O=S(=O)(CCl)N1CCO[C@@H](CCc2ccccc2)C1	831096909	NQGAMUKMKIVLBN-ZDUSSCGKSA-N	303.811	1.846	50	20	DDGD	
C[C@H](COc1ccc(F)cc1F)NCc1cccc(B(O)O)c1	585018916	WNVYBPVXHGFJHF-LLVKDONJSA-N	321.132	1.202	50	20	DDGD	
Cc1ccc(OC[C@H](C)NC(=O)NNC(=O)C2CCC2)cc1	732242139	APZSQHRANJGYPL-LBPRGKRZSA-N	305.378	1.893	50	20	DDGD	
CC(C)Oc1cccnc1C(=O)NNc1ccc(C(=O)O)cn1	833508065	STJUODUOKKPNTH-UHFFFAOYSA-N	316.317	1.719	50	20	DDGD	
COCCN(C)NC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1	837625627	SBJBDXMPYAPSAO-LBPRGKRZSA-N	315.414	1.243	50	20	DDGD	
CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CC[C@H](B(O)O)C1	585067523	XPSLLGIWTSXUTG-JTQLQIEISA-N	311.574	1.573	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)[C@@H]1C[C@@H]1c1cccc(F)c1	914383909	HEWRERVAHZLBEN-VXGBXAGGSA-N	315.370	1.177	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1C[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1	830854897	IYVWJESSXUKJAV-IGQOVBAYSA-N	305.422	1.324	50	20	DDGD	
O=C(NC[C@H]1CC1(Cl)Cl)NNC(=O)[C@@H]1CCCCO1	836234608	MBSYTRWLQRZCOQ-SFYZADRCSA-N	310.181	1.080	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1cc2cc(F)ccc2o1	741758450	YHYITCOQAPBUQX-UHFFFAOYSA-N	303.293	1.644	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cc1coc2ccccc12	843658815	VZHROFOWPZLHHE-ZYHUDNBSSA-N	302.330	1.548	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ncccn2)nn1[C@@H](C)C1CC1	841350932	VSNJRDQFMKLMEJ-JTQLQIEISA-N	314.349	1.027	50	20	DDGD	
COC(=O)CCCCCCNC(=O)NNC(=O)C(C)(C)C	916634141	XKIWYILHWPVVKR-UHFFFAOYSA-N	301.387	1.486	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc2ccncc2c1	845421579	FGBKHMRHRJKKOO-SNVBAGLBSA-N	315.329	1.338	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1ccc(O)cc1	916363285	SRMOEUDDFSDXIC-LBPRGKRZSA-N	305.378	1.201	50	20	DDGD	
O=S(=O)(CCCCCl)NCc1nc([C@H]2CCCO2)n[nH]1	848470109	BXYZMCDSLGIKEZ-SECBINFHSA-N	322.818	1.095	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)COCc2ccccc2)CS1	840420185	RFPZOOAUWPZJCN-DGCLKSJQSA-N	323.418	1.428	50	20	DDGD	
CCN(C(C)=O)c1nc(C=NNC(=O)[C@@H]2CCO[C@H]2C)cs1	842559056	TTYJSTUYDCNHFS-JOYOIKCWSA-N	324.406	1.391	50	20	DDGD	
CN(C)C(=O)NN=Cc1ccccc1I	745613426	SZJRLBKSOKRUHK-UHFFFAOYSA-N	317.130	1.896	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cccc(Br)n1	842561996	OOGQPCICJOEJPO-WPRPVWTQSA-N	312.167	1.719	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)N[C@H](C)CCC(C)(C)C	748633721	SCWLOUHISARJSO-NEPJUHHUSA-N	317.430	1.583	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)C1(c2cccc(F)c2)CCOCC1	843515912	TUEHSMVSDNGSLO-LBPRGKRZSA-N	310.369	1.218	50	20	DDGD	
CC(C)c1nn(-c2ccccc2)cc1C(=O)NN(C)C[C@@H](C)O	910145437	BGIODBPYDLPEMQ-CYBMUJFWSA-N	316.405	1.953	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2ncc(Br)cn2)CO1	847389284	KHDYBOFPHKLYCL-POYBYMJQSA-N	316.159	1.043	50	20	DDGD	
COC/C(C)=C\C(=O)NNc1ncc(Br)cn1	848322507	DSPRSHBASDCHFY-CLTKARDFSA-N	301.144	1.275	50	20	DDGD	
CCCCNC(=O)NNC(=O)COC[C@H](C)c1ccccc1	845297269	SSXFQAUXWAKWCZ-ZDUSSCGKSA-N	307.394	1.937	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCCc3ccnc(O)c32)cn1	912621856	ISMBZSUUYUVGMN-QPEQYQDCSA-N	309.329	1.407	50	20	DDGD	
O=S(=O)(CBr)Oc1cccc2c1OCCCO2	849403041	ANLVCYWFIHILEN-UHFFFAOYSA-N	323.164	1.909	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1CCCc2ccc(OC)cc21	847687751	WIIPJZXIXNQUDI-CYBMUJFWSA-N	305.378	1.808	50	20	DDGD	
O=C(CN1CSCCSC1)NNc1cccnc1Cl	910399740	INFFCCFWXZMSTI-UHFFFAOYSA-N	318.855	1.875	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1CCC[C@@H](SCC)C1	748969091	YKNANNDUNCVCLO-GHMZBOCLSA-N	303.428	1.418	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C[C@@H](c1nccn1C)C(F)(F)F	847687386	OQDNMAVWJGJYAQ-QMMMGPOBSA-N	321.303	1.149	50	20	DDGD	
O=C(Cc1csc(N2CCOCC2)n1)NN=CC1CCCC1	741848560	VULGGZBDRYDDBH-UHFFFAOYSA-N	322.434	1.814	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1ccccc1S(C)(=O)=O	840726742	ASVFEKLMMWPVQW-BENRWUELSA-N	308.359	1.150	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1nnc(C2CCOCC2)s1	840726896	WDROVSOJWMWAAV-CSKARUKUSA-N	308.363	1.815	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@@H]1CCC(=O)C1	843869328	OAPDKJWTNFKANO-VHSXEESVSA-N	324.764	1.624	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H](C)N1CCc2ccccc21	843660426	KGDZGYNRDKAXSI-MBNYWOFBSA-N	317.389	1.010	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(N(C)C)c2)CS1	840414735	BVFBOPIAXCUNTG-CMPLNLGQSA-N	322.434	1.591	50	20	DDGD	
O=C(NC[C@H]1CCCNC1)NNc1cc(F)c(F)cc1F	841924065	SBKRWUPQRKEKNZ-QMMMGPOBSA-N	302.300	1.730	50	20	DDGD	
COc1ccc(NC(=O)NNC(=S)NCC(F)(F)F)cc1	741854123	AHVADPKCBKBWMT-UHFFFAOYSA-N	322.312	1.758	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1	842556355	AOGFUFCWGBLZMP-ONGXEEELSA-N	306.322	1.442	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N[C@@H](C)c1cnn(C(C)C)c1	754805457	IVOHKGPOGWBDCO-STQMWFEESA-N	323.441	1.697	50	20	DDGD	
O=C(NCCC[C@H]1CCCCO1)NNC(=O)c1cccc(F)n1	852254129	NDSFYZPTKAPFKD-LLVKDONJSA-N	324.356	1.514	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2cn(C3CC3)nn2)o1	858909504	CZCXTBXMNIDVMO-UHFFFAOYSA-N	301.310	1.353	50	20	DDGD	
CCc1nc(C=NNC(=O)[C@H]2COc3ccccc3O2)cs1	755483452	FVNUYHWCLVHPIZ-CYBMUJFWSA-N	317.370	1.996	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(OCC(F)F)cc1	756874027	MSISTVCZBNUCAX-UHFFFAOYSA-N	317.292	1.520	50	20	DDGD	
CNS(=O)(=O)CCN1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	856759507	PXUUXEHRXCQQSH-LBPRGKRZSA-N	322.547	1.632	50	20	DDGD	
CC(C)n1ccnc1C=NNC(=O)c1ccc2c(c1)OCCO2	853286231	KOLAZEKFCAFSKE-UHFFFAOYSA-N	314.345	1.999	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCc2cn(CC)nn2)cc1	852539470	RUSGIICRSDIJHA-UHFFFAOYSA-N	316.365	1.005	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@H]2COC[C@@H]2C)c(F)c1	926015767	AVJGDYZUAWKMIW-UFBFGSQYSA-N	311.313	1.273	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCC2CSC2)cc(C#N)n1C	854979027	HPBLPEDNFZDHCX-LHHJGKSTSA-N	314.414	1.981	50	20	DDGD	
O=C(NN=Cc1cc2ccccc2o1)C(=O)Nc1ccccn1	758387495	NHZHSFGCRVHRNK-UHFFFAOYSA-N	308.297	1.917	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)CC2=CCCOC2)n1	852293673	PBWMJQUCUHSJON-UHFFFAOYSA-N	304.350	1.023	50	20	DDGD	
CN(CCN1CCCC1)C(=O)NC[C@]1(C)C[C@H]1Br	856956457	PPPQCOBKEXAPCK-YPMHNXCESA-N	318.259	1.897	50	20	DDGD	
Cn1cc(-c2nc(C(=O)NCCCSC#N)cs2)cn1	854363057	JYPDMKGSUUQWDX-UHFFFAOYSA-N	307.404	1.878	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1ccc(C(F)F)nc1	853313719	GGVWMEODSVCMPI-SNVBAGLBSA-N	315.320	1.911	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC1COC(C)(C)OC1	754731024	MYRCHWZGCNLTBR-UHFFFAOYSA-N	315.801	1.620	50	20	DDGD	
C[C@]1(CN[C@H](C2CC2)[C@@H]2CNCCO2)C[C@H]1Br	857253134	HDWBBFYJEAHIIR-UMSGYPCISA-N	303.244	1.517	50	20	DDGD	
C[C@@H](NC(=O)NNc1cc(F)cc(Cl)c1)C(=O)N(C)C	853404721	STCGFHRKKLKLJR-SSDOTTSWSA-N	302.737	1.582	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)CC(=O)NNC(=O)Cc1ccncc1	754059311	GZFMMHDIWYXWJR-JTQLQIEISA-N	316.361	1.570	50	20	DDGD	
COCc1ccc(C=NNC(=O)CCCNC(=O)C(C)(C)C)o1	853407682	VKXFXSPWUWPEIT-UHFFFAOYSA-N	323.393	1.819	50	20	DDGD	
N#CSCCCNC(=O)c1ccc(N2CCOCC2)nc1	854362794	BBBJQMNHTFKAJQ-UHFFFAOYSA-N	306.391	1.252	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1cnn(C2CCCC2)c1	932884805	VQIBYQDYDJCHEI-UHFFFAOYSA-N	316.365	1.803	50	20	DDGD	
CCCN1CC[C@H](NC(=O)NC[C@]2(C)C[C@@H]2Br)C1	856870426	QHWYDHSHFBFMDJ-GVXVVHGQSA-N	318.259	1.943	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)N[C@H]1CCN2CCCC[C@@H]12	852059878	OKAMRECZSVTVQR-RYUDHWBXSA-N	309.801	1.988	50	20	DDGD	
CCCCNC(=O)NN=Cc1cnc(N2CCOCC2)s1	755663047	SKXIDHMKDZGVJR-UHFFFAOYSA-N	311.411	1.413	50	20	DDGD	
COC[C@H](CNC(=O)NC[C@]1(C)C[C@@H]1Br)OC	856883032	CRPBMWHLGUHCPJ-QXEWZRGKSA-N	309.204	1.121	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)Oc1ccc(C(N)=O)cc1	866406848	IVTPQBZEZYTRPR-UHFFFAOYSA-N	305.783	1.759	50	20	DDGD	
Cc1cccc(C)c1C(=O)NNC(=O)COc1ccccc1O	762207696	QNGTVTNRKORXAE-UHFFFAOYSA-N	314.341	1.849	50	20	DDGD	
CN(C)c1cc(F)c(C=NNC(=O)C(=O)N2CCCC2)cc1F	863085836	PYGSQJXHCYMUDV-UHFFFAOYSA-N	324.331	1.103	50	20	DDGD	
COc1ccc(C=NNC(=O)Cc2cc(O)nc(S)n2)s1	763149692	CFFGZPGLDXNSNO-UHFFFAOYSA-N	324.387	1.234	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@@H]2CCCc3cccnc32)c1	766610079	YRHZWRHUCRMKOI-OAHLLOKOSA-N	320.352	1.834	50	20	DDGD	
Cc1cc(C)cc(NC(=S)NNC(=O)c2cc(C)[nH]n2)c1	764498569	VHVYXJWLFFAUSL-UHFFFAOYSA-N	303.391	1.966	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(-c2cnc[nH]2)cc1	869067650	FBFATIOWPUWTLX-ZWNOBZJWSA-N	314.345	1.263	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@]2(C)C[C@H]3CC[C@H]2C3)c1O	863860700	FQMQJSKIDCKQQR-DINDLPBHSA-N	318.373	1.988	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC1C[C@@H](C)O[C@H](C)C1	767216651	JVHNOJCYAWIAFE-GHMZBOCLSA-N	321.377	1.595	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)OCC(F)(F)F)c1ccc(F)cc1	862216469	XKAOXVPQTIBERB-SECBINFHSA-N	324.230	1.833	50	20	DDGD	
COCC(=O)NN=Cc1ccc(OCCN2CCCC2)cc1	761817587	FXSOOCKVPUTJRI-UHFFFAOYSA-N	305.378	1.258	50	20	DDGD	
Cc1ccc([C@@H](C)[C@H](O)C(=O)NNC(=O)c2ccncc2)cc1	764581280	PXZMOAYCOXTXMK-DOMZBBRYSA-N	313.357	1.316	50	20	DDGD	
CS(=O)(=O)CC(=O)NNC(=O)c1ccc(C2=CCCC2)cc1	863465791	FWVQELQECJEOPE-UHFFFAOYSA-N	322.386	1.060	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c1	769199361	FDXLHSRZMLGITM-XSXPHNMFSA-N	310.357	1.547	50	20	DDGD	
CCCCNC(=O)NNC(=O)COC/C=C\c1ccccc1	763300676	KSPXEOFKPZCKDV-YFHOEESVSA-N	305.378	1.847	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2ccc(Br)nc2)[nH]1	764236024	MBOWQZYWQOVATG-UHFFFAOYSA-N	306.123	1.801	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1ncoc1C1CC1	1117787973	FPCXKWWWIFBIOU-UHFFFAOYSA-N	321.358	1.712	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccccc1COC1CCOCC1	769148188	YANQQAURQGKCQC-UHFFFAOYSA-N	321.377	1.346	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccccn1)c1c(F)cccc1F	763289277	ILMINPCSNLASIP-VIFPVBQESA-N	305.284	1.925	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)C1CCS(=O)(=O)CC1	1117335168	FRSPLOQVQCSSNZ-UHFFFAOYSA-N	324.406	1.012	50	20	DDGD	
CNCCOCCN(C)C(=O)[C@H](Br)C(C)(C)C	877029144	TWIISPXOHLYXCY-JTQLQIEISA-N	309.248	1.490	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@H](C(C)C)N(C)C	873769972	VBROPJWZMPLDSH-ZDUSSCGKSA-N	324.450	1.599	50	20	DDGD	
CC(C)(C)n1cc(C(=O)C(=O)NNc2ccc(F)cn2)cn1	874651576	RBIMLACKHDPOEQ-UHFFFAOYSA-N	305.313	1.498	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2c[nH]cc(Cl)c2=O)c1	1116944559	LAVKRUNIBBLSNG-UHFFFAOYSA-N	324.127	1.705	50	20	DDGD	
CCCn1cc(C=NNC(=O)[C@H](C)Oc2ccccc2F)nn1	872334244	QMEPTRHSNYHFOJ-NSHDSACASA-N	319.340	1.745	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cc(-c3ccco3)on2)c1Cl	1116292946	UCRRWOQHYJIIGI-UHFFFAOYSA-N	320.696	1.717	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc(OCC2CC2)nc1	1115966857	IVDYPZRCNSORBH-UHFFFAOYSA-N	308.407	1.388	50	20	DDGD	
CC(C)c1ncsc1NC(=O)NNC(=O)C1CCOCC1	879814421	PJKRROVIRPXFJI-UHFFFAOYSA-N	312.395	1.846	50	20	DDGD	
COC(=O)c1cc(CNC[C@@]2(C)C[C@H]2Br)on1	877647852	UWQGTFMAJWQJJA-MWLCHTKSSA-N	303.156	1.724	50	20	DDGD	
C[C@@H](CBr)COC(=O)CN(C)[C@H]1CCSC1	770406499	BPQNCWBEUKMOKU-UWVGGRQHSA-N	310.257	1.998	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)[C@H](F)Cc1ccccc1	778501464	CGQPFSOZAZBVHU-OAHLLOKOSA-N	315.348	1.827	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc(Br)o1	872400149	ICBNHOCHSSWQJL-UHFFFAOYSA-N	305.128	1.155	50	20	DDGD	
O=C(C[C@H]1CCOC1)NNC(=O)c1cncn1-c1ccccc1	1116114612	WQKZDFUXDXYJTF-GFCCVEGCSA-N	314.345	1.060	50	20	DDGD	
O=C(NN=Cc1ncc(C2OCCO2)s1)c1cccnc1	772992232	ZJXVGQJBCUZOJC-UHFFFAOYSA-N	304.331	1.347	50	20	DDGD	
C=Cn1cc(C=NNC(=O)[C@H](C)CN2C[C@@H](C)O[C@H](C)C2)cn1	773027262	YLMUQCHOTZZSDM-MGPQQGTHSA-N	319.409	1.179	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1	1121966273	WDRUCDXMIQKBTN-OZYNSXBJSA-N	321.421	1.520	50	20	DDGD	
Cc1ccc2c(CC(=O)NNC(=O)C3CCOCC3)c[nH]c2c1	883062844	UIHDLDIMAJPQMK-UHFFFAOYSA-N	315.373	1.593	50	20	DDGD	
C#CC[C@@H](NCC(=O)NNC(=O)c1ccccc1)c1ccccc1	777719947	GPLQZMKLHSVBGM-QGZVFWFLSA-N	321.380	1.802	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H](C)C2)cc1OC	776285867	RWKNQYILTUDPSB-PWSUYJOCSA-N	322.361	1.280	50	20	DDGD	
CNC(=O)Cn1nc(NC(=O)NNc2ccc(F)cc2)cc1C	770082515	WSHDXJYXAXGLIJ-UHFFFAOYSA-N	320.328	1.225	50	20	DDGD	
COC[C@H](C)NC(=O)NNC(=O)c1ccc(Cl)cc1OC	883913549	XYYSLGUUPVXVHB-QMMMGPOBSA-N	315.757	1.328	50	20	DDGD	
Cc1cc(CSc2ncccc2C(=O)NN(C)C(N)=O)no1	770439357	CTOZNZWHEWEGDW-UHFFFAOYSA-N	321.362	1.326	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)Cc1nc2ccccc2s1	779820634	HMVSYOHLRZPVSF-UHFFFAOYSA-N	320.374	1.687	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2CCOCC2)c(Cl)c1	883063148	FEBBKKPMIJAWBY-UHFFFAOYSA-N	312.753	1.536	50	20	DDGD	
C/C=C/c1cn(CC(=O)NNC(=O)Cc2ccccc2C)nn1	881360385	MOFDQXZYAFDFII-ZZXKWVIFSA-N	313.361	1.010	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)C1CCOCC1	883062085	QESOQOXQZDNTBA-WDEREUQCSA-N	322.327	1.929	50	20	DDGD	
CCOCCOCCNC(=O)/C(C#N)=C/c1ccc(F)cc1	885763143	XXWJINZJLWEKHI-SDNWHVSQSA-N	306.337	1.902	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(F)c2cccnc12	1120750869	QWDUFTWMZKHHRB-ZJUUUORDSA-N	317.320	1.560	50	20	DDGD	
CCC[C@@H](C(=O)OCC)S(=O)(=O)N1CC=C(C#N)CC1	882050743	GWZYHWHCCZOJDH-LBPRGKRZSA-N	300.380	1.204	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1c(C)noc1C(F)(F)F	887144168	DHEBPEGBGNSURW-UHFFFAOYSA-N	303.240	1.566	50	20	DDGD	
O=C1[C@@H](NS(=O)(=O)CCCCl)CCN1c1ccccc1	881875242	LXTDZDULSKIKRF-LBPRGKRZSA-N	316.810	1.340	50	20	DDGD	
CC(C)CN1CCC[C@@H]1C(=O)NNC(=S)Nc1ccccn1	1120769890	QRWSXFLNDYBXRG-GFCCVEGCSA-N	321.450	1.520	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1F)C1CCS(=O)(=O)CC1	885107476	GPGDNPJZSNNUAB-UHFFFAOYSA-N	320.773	1.747	50	20	DDGD	
COCc1ccccc1CNC(=O)NNC(=O)C1CCOCC1	883112483	NMBZTEVGWDDNJW-UHFFFAOYSA-N	321.377	1.090	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2cc(F)ccc2F)CCC1	885142830	KVURFTOXFZVNGH-UHFFFAOYSA-N	304.318	1.375	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccnc(NC2CCC2)c1	887150324	GDDVDOIVIMLGTH-UHFFFAOYSA-N	300.362	1.611	50	20	DDGD	
COCCCNC(=O)[C@H](C)OC(=O)/C(C#N)=C/c1ccccc1	785376660	PDMWXXSBUADHPI-JMRXEAOASA-N	316.357	1.678	50	20	DDGD	
C[C@H](Oc1cccc(F)c1)C(=O)NNC(=O)C1CCOCC1	883061417	UBJHAAZNBUBFLM-JTQLQIEISA-N	310.325	1.167	50	20	DDGD	
CSC1(C(=O)OCC(=O)NNC(=O)c2ccc(C)cc2)CC1	789202173	QQPZDYDNMCDORT-UHFFFAOYSA-N	322.386	1.195	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	785410025	QELJNYZPVXDENT-KYXWUPHJSA-N	323.315	1.473	50	20	DDGD	
COc1ccc(NNC(=O)/C=C\c2ccc(O)c(O)c2)nc1	781530597	GQVOORMYAHDFJF-CLTKARDFSA-N	301.302	1.658	50	20	DDGD	
COCC(=O)NN=Cc1cn(-c2ccc(F)c(Cl)c2)nn1	782905691	CARNVJNRQHHWAC-UHFFFAOYSA-N	311.704	1.156	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cc([N+](=O)[O-])c[nH]2)c1	780016421	LOYQNNHJHMAMDX-UHFFFAOYSA-N	304.262	1.466	50	20	DDGD	
N#C/C(=C\c1ccccc1)C(=O)OCC(=O)NC1CCOCC1	785379627	VRIQFOMDVYFZSD-GXDHUFHOSA-N	314.341	1.432	50	20	DDGD	
CCOC(=O)N[C@@H](C(=O)NNC(=S)NC(C)(C)C)C(C)C	899992075	LUANVTCMYNFCKK-SECBINFHSA-N	318.443	1.051	50	20	DDGD	
CC[C@@H]1C(=O)NCCN1C(=O)[C@@H](Br)C(C)(C)C	781084982	HEHOIXSLLCIVIN-RKDXNWHRSA-N	305.216	1.533	50	20	DDGD	
CSSCCNC(=O)C1CCN(C(=O)N(C)C)CC1	791149771	AJWPPHPZIJYJBS-UHFFFAOYSA-N	305.469	1.507	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H](C(=O)NNC(=O)NCC(F)(F)F)C1(C)C	798314849	CYQFWMIJZGRRBC-YUMQZZPRSA-N	323.315	1.521	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)C1CN([C@H]2CCOC2)C1	896806221	IHRCNEHKHURONR-JTQLQIEISA-N	315.295	1.268	50	20	DDGD	
C#CCOc1ccc(C(=O)NNC(=O)c2cccc(C)n2)cc1	794084654	HVTCWQBWGCSQFE-UHFFFAOYSA-N	309.325	1.477	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)N[C@H]1CCN(CCOC)C1	799587798	IIMUPLXYKLQGCI-HNNXBMFYSA-N	320.437	1.904	50	20	DDGD	
CC(=NNC(=O)c1cccc2ncccc12)c1ccc(O)nn1	790161344	FQYSXYYPJIPGJB-UHFFFAOYSA-N	307.313	1.884	50	20	DDGD	
Cc1onc(-c2cccnc2)c1C(=O)NNC(=O)NCC1CC1	795587182	LDLLGALMVCCKCK-UHFFFAOYSA-N	315.333	1.399	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)NCC2(C#N)CC2)c1	797580800	FJESTTREPHIFQB-UHFFFAOYSA-N	308.363	1.020	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)c1ccc(Cl)cc1O	794992109	UVFADVDLZONVLY-PELKAZGASA-N	314.769	1.868	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)Cc1ccccc1SC	791600395	YUQACLYWOASJMM-LLVKDONJSA-N	309.435	1.786	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)CC1	799520926	UALFUZKMQIIDDN-LLVKDONJSA-N	324.352	1.557	50	20	DDGD	
CCCCCOc1cc(C=NNC(=O)C(=O)OC)ccc1OC	1318907819	AEOFWMQRQZMRFL-UHFFFAOYSA-N	322.361	1.887	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1cccnc1)c1ccc(F)cc1F	1318893312	LJEAFYOOTBKKHL-SNVBAGLBSA-N	319.311	1.853	50	20	DDGD	
CC(C)c1nc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)cs1	1321898817	OZVAJBQEYFKWOK-SECBINFHSA-N	315.420	1.151	50	20	DDGD	
CN(C)Cc1cc(C(=O)NNc2ncnc3ccsc23)no1	1321026661	DWLUSLZTEZRMJC-UHFFFAOYSA-N	318.362	1.498	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)c2ccccc2Cl)n1C	1324219690	KIAQSDQAAQUQTE-UHFFFAOYSA-N	305.769	1.903	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc3nc[nH]c3n2)nn1	1323848356	YAMHJIPIAFHRSR-UHFFFAOYSA-N	311.349	1.802	50	20	DDGD	
CS(=O)(=O)c1ccc(NNC(=O)c2ncoc2C2CC2)cc1	1324260602	HFIMXBFPKLTORS-UHFFFAOYSA-N	321.358	1.712	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)c1cc2c(cn1)OCCC2	1254465747	GQPOIEYJNGPEIS-UHFFFAOYSA-N	315.304	1.621	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@H](c1ccccc1C)C(C)C	1330487763	DPAXQMOWSZXOQQ-LBPRGKRZSA-N	307.350	1.196	50	20	DDGD	
C[C@H](C1CC1)N(C)C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1331095450	BQEQNZHABVNTFN-ZDSQKVDBSA-N	317.227	1.533	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@]2(C)CC(C)=NO2)c1	1336057205	WEKOROBCYRLINX-HNNXBMFYSA-N	316.386	1.540	50	20	DDGD	
CC(C)CONC(=O)NNc1ccccc1S(C)(=O)=O	1335125598	HWUNUNNHGFEKMA-UHFFFAOYSA-N	301.368	1.304	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CC(=O)NNC(=O)[C@@H]1CCCCO1	1337302296	ZZXDJNBZQIXIGU-SKDRFNHKSA-N	309.366	1.502	50	20	DDGD	
Cc1ncc(C)c(NC(=O)NNC(=O)Cc2ccccc2C)n1	1333453998	DOTAXOQGUSQAGB-UHFFFAOYSA-N	313.361	1.797	50	20	DDGD	
Cc1cccc(C)c1CN(C)C(=O)NNC(=O)c1cccnn1	1342188181	DJGIKMLYYLICQP-UHFFFAOYSA-N	313.361	1.580	50	20	DDGD	
C[C@]1(NC(=O)NNc2c(F)cc(F)cc2F)CCOC1=O	1347509983	LMQLVCPZHOMAFZ-LBPRGKRZSA-N	303.240	1.436	50	20	DDGD	
Cc1n[nH]c(C)c1CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	1347064941	NMVJGLHIKNCCHP-LHHJGKSTSA-N	322.372	1.769	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@]1(C)CCCS1	1261452991	RNQJAXGGDZACLS-CWSCBRNRSA-N	301.412	1.028	50	20	DDGD	
COC(=O)C1(CNC(=O)C2CCC(Cl)CC2)CCOCC1	1263774986	QELOSPGMAWPBDZ-UHFFFAOYSA-N	317.813	1.870	50	20	DDGD	
Cc1nc(N2CCN(C(=O)C3CCC(Cl)CC3)CC2)n[nH]1	1349970406	ZXWATPYYLZWZMH-UHFFFAOYSA-N	311.817	1.559	50	20	DDGD	
C[C@@H]1CCCC[C@H]1CCNC(=O)NNC(=O)C1CCNCC1	1261375285	KPCUKSKXKXMHHQ-OLZOCXBDSA-N	310.442	1.533	50	20	DDGD	
CC[C@@H](C)[C@@H](CNC(=O)NNc1nncc(N)c1Cl)OC	1261285142	RZDZQWNUBGNPNS-VXNVDRBHSA-N	316.793	1.399	50	20	DDGD	
O=C(NCCN1CCC2(C1)OCCO2)C1CCC(Cl)CC1	1348887103	AHUBAMZJPFXWIA-UHFFFAOYSA-N	316.829	1.349	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)c1cccc(N(C)C)c1	1354039685	AMKMYFQYAGISAZ-ZIAGYGMSSA-N	305.378	1.329	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H]1CCCCN1Cc1cccc(F)c1	1350804931	YAPRMSNWRBDBRJ-OAHLLOKOSA-N	321.396	1.984	50	20	DDGD	
CC(C)CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)NC(C)C	1519235312	WYZVPPCKLZBKHY-LBPRGKRZSA-N	312.414	1.152	50	20	DDGD	
C/C(=C\C(=O)NCC(Cl)Cl)C(=O)NCC(Cl)Cl	1521574234	CBWVNWWJZZYECA-GORDUTHDSA-N	322.019	1.773	50	20	DDGD	
N#C/C(=C\c1cccc(F)c1-c1nn[nH]n1)C(=O)N1CCCC1	1609492795	AVMXVFGHLMYJEK-DHZHZOJOSA-N	312.308	1.535	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)nc1	1608904212	MQATTZBUMFUIQK-DHHPTOIESA-N	317.345	1.618	50	20	DDGD	
CCCC[C@@H](NNC(=O)COc1ccc(C#N)cc1)C(=O)O	1609961184	GJLHRYJGRBMWEF-CYBMUJFWSA-N	305.334	1.201	50	20	DDGD	
O=C(NNc1ncccn1)Nc1cc(F)c(C(=O)O)c(F)c1	1601561936	JQVKYGHZOVAAEY-UHFFFAOYSA-N	309.232	1.602	50	20	DDGD	
O=C(O)CC1CC(NC(=O)NNc2ncc(F)cc2F)C1	1608692179	QMPRAATXDAJGSM-UHFFFAOYSA-N	300.265	1.239	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@H]1CSCCS1	1602230779	ORHNLEBGJRGPEI-SECBINFHSA-N	316.379	1.816	50	20	DDGD	
CC[C@@H](C)C(C)=NNC(=O)COc1ccccc1-c1nn[nH]n1	1609184075	OZQMNXGKXALYPZ-SNVBAGLBSA-N	316.365	1.784	50	20	DDGD	
CCC(=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(Cl)Cl)C2	1801628091	REVWSSSOIBYALO-AYMMMOKOSA-N	321.204	1.407	50	20	DDGD	
Cc1cc(C(=O)NN=C[C@H]2CCCO[C@@H]2c2cnn(C)c2)n[nH]1	1552448419	DEGZDYOFTVSAPN-RISCZKNCSA-N	316.365	1.335	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@H]2C=NNC(=O)C2CCOCC2)cn1	1552918628	DSRLWUUXARHYJY-DZGCQCFKSA-N	320.393	1.416	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@@H]1C=NNC(=O)[C@@H]1CC[C@@H](C)O1	1552762268	BRGDCOGFVBXEGV-YIYPIFLZSA-N	320.393	1.650	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@H]1C=NNC(=O)c1ccnnc1	1552762881	NGHKGQUYJPSMGJ-AAEUAGOBSA-N	314.349	1.186	50	20	DDGD	
C[C@H]1CCN[C@@H](C(=O)NNc2cc(Br)ncn2)C1	1576743763	AWYRYNACRUITSH-JGVFFNPUSA-N	314.187	1.070	50	20	DDGD	
CCc1ccc(-c2cc(C(=O)NNC(=O)C(C)(C)N)n[nH]2)cc1	1578250379	RCMZCLFDSNWXDP-UHFFFAOYSA-N	315.377	1.137	50	20	DDGD	
CNNC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1	1578745030	QLAUAFJUSHBZGY-UHFFFAOYSA-N	304.394	1.201	50	20	DDGD	
NCc1ccc2nc(C(=O)NNc3cccc(F)c3F)cn2c1	1580341310	ZHFYPSJSXCQMSO-UHFFFAOYSA-N	317.299	1.828	50	20	DDGD	
CC1(C)C[C@@]1(C(=O)O)C(=O)NNc1cnnc2ccccc12	1589219079	IGHFXUGOJOKIPT-HNNXBMFYSA-N	300.318	1.574	50	20	DDGD	
C/C=C/C(=O)N1CC2(CCCN2C(=O)[C@@H](C)Br)C1	1846179268	UWTWLHLHWCCLLJ-RXNUUUNCSA-N	315.211	1.549	50	20	DDGD	
CC(C)(C)[C@@H](C(=O)O)C(=O)NN=c1cc[nH]c2ccccc12	1588632914	AWZZTRKVYRLHFN-CYBMUJFWSA-N	301.346	1.847	50	20	DDGD	
O=C(NNc1ccccc1)C1=NN(c2ccccc2)[C@H](C(=O)O)C1	1594782266	VLTVPGOOFPZDBP-HNNXBMFYSA-N	324.340	1.849	50	20	DDGD	
O=C(C(Cl)Cl)N1CC2(CCCN2C(=O)c2ccc[nH]2)C1	1844408660	NRFQGMAGMDHOTB-UHFFFAOYSA-N	316.188	1.635	50	20	DDGD	
O=C(O)/C=C/c1cc(C(=O)NNC(=O)Cc2ccsc2)co1	1594967614	CFHASOSLWVADLU-OWOJBTEDSA-N	320.326	1.443	50	20	DDGD	
CCOC(CC(=O)NNc1cccc(C(=O)O)c1C)OCC	1596781861	ILWOQUCESZRCEG-UHFFFAOYSA-N	310.350	1.926	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)O)C1(C)C	1593855835	OGPNKMPDTQUTEP-XHNCKOQMSA-N	301.343	1.034	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C(=O)O)c1ccc(Cl)cc1Cl	1599840432	VYNYKOHIXUGAHE-RXMQYKEDSA-N	320.132	1.469	50	20	DDGD	
COCC(=O)NN=Cc1ccc(-c2ccc(O)c(C(=O)O)c2)o1	1776048723	UUHIAAQRHHMBKB-UHFFFAOYSA-N	318.285	1.447	50	20	DDGD	
N#Cc1ccc(C(=O)O)c(C=NNC(=O)[C@H]2CCCS2)c1	1776082006	QRGFBHPGVGDUGM-GFCCVEGCSA-N	303.343	1.602	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)ccc1C(=O)O	1776090986	MGGRETGLJFOEQZ-KGYLQXTDSA-N	318.329	1.411	50	20	DDGD	
O=C(O)c1cnc2c(c1)C(=NNC(=O)c1cccnc1)CCC2	1776017680	XQNNDYDUWQOZAW-UHFFFAOYSA-N	310.313	1.645	50	20	DDGD	
Cc1cc(F)ncc1C=NNC(=O)c1cccc(C(=O)O)c1	1776096335	VOMRRPBHNIMDJU-UHFFFAOYSA-N	301.277	1.991	50	20	DDGD	
O=C(CSc1nnc[nH]1)NNC(=O)c1ccc(Cl)cc1	5944687	BZXLPPSMWAPJDQ-UHFFFAOYSA-N	311.754	1.011	50	20	DDGD	
COC(=O)NNC(=O)CCCc1nc(-c2cccs2)no1	158887271	IVUJQDMVMSBAAM-UHFFFAOYSA-N	310.335	1.508	50	20	DDGD	
COCCCNC(=O)NNC(=O)/C=C/c1ccc(Cl)nc1	160409513	OCBJAKHODSJIAD-GQCTYLIASA-N	312.757	1.115	50	20	DDGD	
CC1(C)C[C@H](NC(=O)NNC(=O)c2cccc(C#N)c2)CCO1	163250544	INPINLPNZFZUDJ-CYBMUJFWSA-N	316.361	1.460	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCC[C@@H](c2ccn[nH]2)C1	163423600	QISXRWOILMRTMC-LLVKDONJSA-N	305.831	1.938	50	20	DDGD	
O=C(NNc1ccccc1F)c1cnc2sccn2c1=O	153020151	YGIQOYVIFWMDGZ-UHFFFAOYSA-N	304.306	1.652	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)C[C@@H]2CCCCO2)n1	155859274	HOQGBDQTXMNXQF-LBPRGKRZSA-N	307.398	1.725	50	20	DDGD	
Cc1nc(CC(=O)N/N=C2/C(=O)Nc3ccccc32)cs1	8342240	KMVSAUNCXPROMH-UHFFFAOYSA-N	300.343	1.467	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2c(C)nc3ccccn23)nc1	159984343	WKGYURUAEORDLW-UHFFFAOYSA-N	309.329	1.421	50	20	DDGD	
CSSCCNC(=O)CN1C(=O)c2ccccc2C1=O	791113264	AIZNPANUDSNVQW-UHFFFAOYSA-N	310.400	1.410	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)c2ccccc2F)cc1F	8141900	XDWZMPRWVSAJDZ-UHFFFAOYSA-N	320.295	1.977	50	20	DDGD	
COC[C@@H](C)NC(=S)NNC(=O)c1ccc2ccccc2c1	8356616	HCCYVCUHZXDFOT-LLVKDONJSA-N	317.414	1.984	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(N)c([N+](=O)[O-])c2)o1	176211385	CAZVDZRELOBRIT-UHFFFAOYSA-N	304.262	1.153	50	20	DDGD	
CCO[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc[nH]2)C12CCC2	175657776	IQJTVVBVHUJERZ-RYUDHWBXSA-N	306.366	1.306	50	20	DDGD	
CN(Cc1cccnc1)C(=O)NNC(=O)c1ccc(C#N)cc1	109359042	QFVFORSZEBLPTL-UHFFFAOYSA-N	309.329	1.440	50	20	DDGD	
CC(C)[C@@H]1CCC[C@H](NC(=O)NNC(=O)c2cnn(C)c2)C1	118071898	QQOGXIGGDGPPFX-YPMHNXCESA-N	307.398	1.579	50	20	DDGD	
C[C@@H]1CCC[C@@H](OCC(=O)NNC(=O)NCc2ccco2)C1	112631624	ZRFJNGOGGAVTMF-VXGBXAGGSA-N	309.366	1.705	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2ccc(C)o2)cn1	105512089	SCCVDKRWOKJDGR-UHFFFAOYSA-N	306.347	1.623	50	20	DDGD	
CCOCCC(=O)NNC(=O)c1cc(-c2ccc(C)cc2)n[nH]1	102894722	SUMUSOAERUZGED-UHFFFAOYSA-N	316.361	1.573	50	20	DDGD	
COC(=O)N1CCC(=NNC(=O)CNc2ccc(C)cc2)CC1	54865237	UHZKDIPKRDEDDJ-UHFFFAOYSA-N	318.377	1.741	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@@H]1C[C@@]12CCc1ccccc12	175030791	XGGADHVZEQXFNE-KBXCAEBGSA-N	309.369	1.690	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(Cl)c(F)c1)N1CCN(C)CC1	175422138	WXDAEEOHLAXQAJ-SNVBAGLBSA-N	314.792	1.558	50	20	DDGD	
Cc1nc(C)c(CCC(=O)NNc2cccnc2Cl)c(=O)[nH]1	176255424	JHNTYSXACWHEHC-UHFFFAOYSA-N	321.768	1.511	50	20	DDGD	
CC(C)C(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1	20915409	BFRFICMYYRXQAZ-UHFFFAOYSA-N	313.398	1.437	50	20	DDGD	
COCC(=O)N(C)CC(=O)NNc1cccc2c1CCCC2	179489875	WMTPSVRKJWNPKI-UHFFFAOYSA-N	305.378	1.113	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc2ccccc2nc1C	110760501	LTRRIHGDXHJDQS-UHFFFAOYSA-N	309.329	1.650	50	20	DDGD	
O=S(=O)(CCl)NC[C@H](c1ccccc1)N1CCCC1	111002561	SYUHIQWMFCYGTC-CYBMUJFWSA-N	302.827	1.939	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2ccc(C(N)=O)c(C)c2)n1	179843024	FVXOCDXSEUSVHK-UHFFFAOYSA-N	314.349	1.649	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)c1c[nH]nc1C)c1ccccc1	110758547	PNALLSYREOHGQW-ZDUSSCGKSA-N	302.334	1.257	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cnn(-c2ccccc2C)c1	69697313	FHJCXCQSZAVNHC-UHFFFAOYSA-N	301.350	1.535	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cc(-c3ccco3)on2)cc1	61464517	HKTXCXWKEKDZQA-UHFFFAOYSA-N	322.280	1.881	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1cccc([N+](=O)[O-])c1	170699911	ZDJWUQMLNCGYMI-UHFFFAOYSA-N	301.262	1.456	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc(Cn2cccn2)cc1	63269591	WMMKHNXSDIIHFZ-UHFFFAOYSA-N	301.350	1.284	50	20	DDGD	
O=C(NC[C@@H]1CCCOC1)NNC(=O)c1cc2ccccc2o1	175940385	OJZTYHHCIVCRPM-NSHDSACASA-N	317.345	1.803	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCc1ccncc1	66975477	VFXASUKADDWEMB-UHFFFAOYSA-N	302.309	1.294	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCn1cncn1)c1ccccc1	110964383	ARRXJWZCTVIMPA-CYBMUJFWSA-N	301.350	1.009	50	20	DDGD	
CSC[C@@H](C)C(=O)NNC(=O)Cn1ccc2ccccc21	66773450	NTPKKBWZQWFWFG-LLVKDONJSA-N	305.403	1.788	50	20	DDGD	
CN1CCC(NC(=O)NNC(=O)CCCc2ccccc2)CC1	69727552	UTHJGJOVTOBGIT-UHFFFAOYSA-N	318.421	1.434	50	20	DDGD	
C[C@@H]1CCC[C@H](OCCCCCC(=O)NNC(=O)CO)C1	182763327	PRHKJQTXFUVVPN-OLZOCXBDSA-N	300.399	1.282	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@@H]1CCCc2sccc21	125604181	VHSHFORXPVVCDB-CYBMUJFWSA-N	315.398	1.953	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2ccc3[nH]nnc3c2)c1	126063488	PJGUBTWNLJGCLD-UHFFFAOYSA-N	313.708	1.635	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NC[C@H]2CCCS2)c1	125135135	NCHIMKUXRYXIPG-CYBMUJFWSA-N	322.434	1.592	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)Nc1cccnc1	73117433	RLGVDWQGVGXLEA-UHFFFAOYSA-N	301.262	1.456	50	20	DDGD	
O=C(NCc1nc2ccccc2s1)NNC(=O)[C@@H]1CCCO1	79008566	VPRKKCNFEKKMEE-JTQLQIEISA-N	320.374	1.306	50	20	DDGD	
Cc1cccc(NC(=O)NNC(=O)COc2ccc(F)cc2)n1	124565700	KMXVEUXQGBKIKK-UHFFFAOYSA-N	318.308	1.761	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Nc1ccnn1C	124621203	UIJKKSGGPOMSJT-VIFPVBQESA-N	321.312	1.179	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)ccc1O)c1cncc(F)c1	129092394	ZTNQPIXSSQCQLC-UHFFFAOYSA-N	309.684	1.655	50	20	DDGD	
COc1cccc(C(=O)NCC(=O)NNc2ccnc(F)c2)c1	180406204	QIVUUECIEFYPRR-UHFFFAOYSA-N	318.308	1.102	50	20	DDGD	
CCS(=O)(=O)CC(=O)NNc1c(Cl)cccc1Cl	133020471	PIBZQZXVXRKPKN-UHFFFAOYSA-N	311.190	1.871	50	20	DDGD	
COCCNC(=O)NNC(=O)c1ccc(Br)s1	49143873	RZLAMWZZBCHMDB-UHFFFAOYSA-N	322.184	1.101	50	20	DDGD	
C[C@@H](CO[C@@H]1CCOC1)NC(=O)NNc1cc(Cl)ccn1	181446328	BCEXMLNWNIDXGD-GXSJLCMTSA-N	314.773	1.555	50	20	DDGD	
CC(C)(C)C(=O)NCCC(=O)NNc1ncnc2ccsc12	132643871	XYDNZPXFHRTHGX-UHFFFAOYSA-N	321.406	1.687	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNC(=O)[C@@H]1CCCO1)c1ccccc1	79518225	XCSFFLSBHDBAKG-GJZGRUSLSA-N	319.405	1.936	50	20	DDGD	
O=C(CCc1nnc(-c2ccsc2)o1)NNC(=O)NC1CC1	138641784	HNRTWNSZHUCGAJ-UHFFFAOYSA-N	321.362	1.224	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O	192329396	ATNXNVXHZPJOHQ-UHFFFAOYSA-N	312.329	1.142	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1	81106617	ABJAUPXBLZUNNG-AWEZNQCLSA-N	323.368	1.958	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)c2ccncc2)c(C)c1	192985838	PTCJXKXGIVZWNI-UHFFFAOYSA-N	313.357	1.929	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)c1ccncc1)c1ccccc1F	191846391	VAGIAPUBJFUCHP-MRXNPFEDSA-N	317.320	1.544	50	20	DDGD	
CCc1noc(CC)c1CNC(=O)NNc1ccc(C)nn1	87172406	DVORUAPNOURCKH-UHFFFAOYSA-N	304.354	1.724	50	20	DDGD	
Cc1oc(-c2ccsc2)nc1CC(=O)NNC(=O)C(C)(C)O	190071630	QDQDMJCTVAWVFL-UHFFFAOYSA-N	323.374	1.172	50	20	DDGD	
O=C(CCOc1ccccc1Cl)NNC(=O)c1ccncc1	193116208	FLTXMPGRFOOTTP-UHFFFAOYSA-N	319.748	1.965	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1csc(-c2ccco2)n1	97110882	LVAGEBUZDWKXCF-UHFFFAOYSA-N	302.315	1.806	50	20	DDGD	
CN(C)N(C(=O)C[C@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1	249309244	HTJWICMBXRXVJF-FQUUOJAGSA-N	314.451	1.305	50	20	DDGD	
CCOCCCN1CC[C@H](N/C=C(\C#N)C(=O)OCC)[C@@H](C)C1	246905942	VOFGNTVFQUYVSA-NEWSFODOSA-N	323.437	1.684	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	245720976	PTCFPIBDAPVPJO-MGPQQGTHSA-N	309.410	1.666	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@@H]1CCCSC1	267298840	KBAGCVINXTYFLV-GFCCVEGCSA-N	323.418	1.464	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccnc(N3CCCC3)n2)n1	265856876	YIHRHMXWVRLKIR-UHFFFAOYSA-N	313.365	1.241	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)c2cccc(OC)c2O)O1	268220586	JSSNWLLHQDSDSZ-CABZTGNLSA-N	308.334	1.119	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)/C=C/CN(C)C)o1	265594864	BISQNSXVAFWTBB-BQYQJAHWSA-N	322.409	1.000	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccccc1-c1nncn1C(C)C	267873281	VXYIJARBQQBWGV-UHFFFAOYSA-N	318.337	1.919	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@@H]1CCOC2(CCC2)C1	269040603	CHBPGEQRWKVACM-CYBMUJFWSA-N	303.362	1.732	50	20	DDGD	
CSSCCNC(=O)N1CCC[C@H]1C(=O)NC1CC1	367473929	KAXOECQBQCOOEY-JTQLQIEISA-N	303.453	1.450	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc2c(cc1F)NC(=O)CC2	272711211	XTRLNUANLDXMPK-UHFFFAOYSA-N	308.313	1.017	50	20	DDGD	
CC[C@@H]1C[C@@H](CC(=O)NNC(=O)Cc2cccnc2)CCO1	273204867	OQXFQHLTXRJVEP-GXTWGEPZSA-N	305.378	1.367	50	20	DDGD	
COCC1(C(=O)NNc2cc(C#N)cc(Cl)n2)CCOCC1	365698206	NBSORTYTLFAVGN-UHFFFAOYSA-N	324.768	1.493	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)COc2ccc(F)cc2)CCO1	272069432	LENDMQYIGTXQGU-GHMZBOCLSA-N	310.325	1.167	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C[C@H]2CCC[C@H](OC)C2)n1	279789102	FZWKVUVIWRAIPA-RYUDHWBXSA-N	308.382	1.832	50	20	DDGD	
COc1ccc2c(c1)OCC[C@H]2NC(=O)NNc1ncccn1	363557524	KLWHIFJAQTYHGX-GFCCVEGCSA-N	315.333	1.635	50	20	DDGD	
CCCc1nnc(S)n1CC(=O)NNc1cccc(OC)n1	272539200	OTBGERSIFXCOJN-UHFFFAOYSA-N	322.394	1.066	50	20	DDGD	
COC(=O)NCC(=O)NNc1nc2ccc(OC)cc2cc1C	272536523	UOZGFZUTTKLMDE-UHFFFAOYSA-N	318.333	1.351	50	20	DDGD	
Cc1cccnc1NNC(=O)NCC(C)(C)N1CCOCC1	276712686	QPAPUDUMPKYOJZ-UHFFFAOYSA-N	307.398	1.127	50	20	DDGD	
CC(=O)N1CCC[C@H](CNC(=O)NNc2ncccc2C)C1	280653576	SIBNEQAVZGOCOG-CYBMUJFWSA-N	305.382	1.275	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNc1ccc2c(O)nccc2c1	289258836	BRPUHXQEPJUOPZ-SNVBAGLBSA-N	317.345	1.973	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(C)c(Cl)cc1C	280575088	MBGJKBCAXCBBGO-UHFFFAOYSA-N	313.785	1.937	50	20	DDGD	
CCC[C@@](C)(CC)C(=O)NNC(=O)CNC(=O)c1ccco1	280184485	GZHXPGQSOHPNJH-OAHLLOKOSA-N	309.366	1.373	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CC[C@H]2CCCO2)cc1	282986402	WIJYFIVHARNWPW-CYBMUJFWSA-N	319.361	1.040	50	20	DDGD	
COC(=O)[C@@H]1CC[C@@H]1C(=O)Oc1ccc([N+](=O)[O-])cc1OC	286635373	ZPQYKMXXAWPEDX-ZJUUUORDSA-N	309.274	1.708	50	20	DDGD	
COC(=O)N(C)NC(=O)Cc1csc(NC(=O)C(C)C)n1	286343402	MDWZFGPELBRXHX-UHFFFAOYSA-N	314.367	1.010	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)Nc2cc(F)cc(F)c2)O1	283680797	HJUAZEIGEFPWFS-RWYTXXIDSA-N	313.304	1.931	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)OCc2ccc(F)cc2)[nH]n1	294798117	BDZJIFKSLIKLLA-SNVBAGLBSA-N	320.324	1.224	50	20	DDGD	
C[C@H](OC[C@H]1CCCCO1)C(=O)NNC(=O)c1ccccc1F	299355678	XAJJTZCYOMCJOO-NWDGAFQWSA-N	324.352	1.561	50	20	DDGD	
CCCOc1cccc(C(=O)NNC(=O)[C@H]2CCCCO2)c1	295338131	HSWDZWFYIVPBSV-CQSZACIVSA-N	306.362	1.806	50	20	DDGD	
O=C1C[C@@H](C(=O)NNC(=O)[C@@H]2CCCCO2)c2ccccc21	295326631	GYFKZYKAGUKAAG-OCCSQVGLSA-N	302.330	1.073	50	20	DDGD	
Cc1c(C(=O)NNc2ncncc2F)[nH]c2c1C(=O)CCC2	294146182	UWKIZZKGNAPSJN-UHFFFAOYSA-N	303.297	1.528	50	20	DDGD	
COc1ccc(C(=O)NNc2cc(C)ncn2)c(C)c1OC	806863629	NYIDYLHWFJBODL-UHFFFAOYSA-N	302.334	1.868	50	20	DDGD	
CN(C)c1ccc(CCC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	295659958	VVILIKAZOVHEHU-HNNXBMFYSA-N	319.405	1.402	50	20	DDGD	
O=C(Cc1ccc(Cl)s1)NNC(=O)[C@H]1CCCCO1	295762428	QHRXYOPVFFRCSF-SECBINFHSA-N	302.783	1.661	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)c1cncc(-n2ccnn2)c1	802553489	NRCSRWJOWBPQLS-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)Cc1ccc(Cl)cc1	800317585	BYLLNMCMCSEQCG-IMSIIYSGSA-N	310.781	1.843	50	20	DDGD	
COc1ccc2c(c1)[C@H](C(=O)NNC(=O)[C@@H]1CCCCO1)CC2	295665021	WINZIHUNMUEIAI-HIFRSBDPSA-N	318.373	1.442	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NNc2nccc3sccc23)C1	802542068	AFXXNLHTNLXEPP-SNVBAGLBSA-N	318.402	1.998	50	20	DDGD	
Cn1cc(C(=O)NNC(=S)Nc2cccc(Cl)c2)nn1	808374376	LXQGBLORSBRFOH-UHFFFAOYSA-N	310.770	1.100	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CCn3c(cnc3C)C2)nc1	290652581	FLBOIYHLCPDNLZ-LLVKDONJSA-N	301.350	1.301	50	20	DDGD	
CN(C)c1ccc(C2(C(=O)NNC(=O)c3ccccn3)CC2)cc1	292551586	AYZCWNHWVTVMBA-UHFFFAOYSA-N	324.384	1.640	50	20	DDGD	
COc1cc(F)cc(NNC(=O)COCc2cccnc2)c1	807063691	XYTNHMDISAKSDV-UHFFFAOYSA-N	305.309	1.889	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)C2[C@@H]3CCC[C@@H]23)cc1	291324107	UXWQLPJJKKUMRO-CHWSQXEVSA-N	323.418	1.426	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNc1nc(-c2ccccc2)no1	806774726	DYTLSXZXLQIBQA-UHFFFAOYSA-N	311.301	1.401	50	20	DDGD	
O=S(=O)(CCCCCl)NCC[C@]1(O)C[C@H]2CC[C@H]1C2	813721943	HAWWNULGXFLJDB-AVGNSLFASA-N	309.859	1.866	50	20	DDGD	
COC1([C@H](C)NC(=O)NNc2cccc(C#N)c2)CCOCC1	817808059	FDOFIUTWYUMKLI-LBPRGKRZSA-N	318.377	1.768	50	20	DDGD	
Cc1ccc(-n2[nH]c(C(=O)NCCCSC#N)cc2=O)cc1	819698921	PFCBQHQNCGKQRU-UHFFFAOYSA-N	316.386	1.808	50	20	DDGD	
O=C(NN=Cc1nc2c(s1)CCC2)c1ccc(O)c(O)c1	814920606	RIYRRTSFUZVZGB-UHFFFAOYSA-N	303.343	1.807	50	20	DDGD	
O=C(NN=C1CCN2CCC[C@H]12)Nc1ccc2c(c1)OCO2	814994316	VTCPCPNLLGEORJ-GFCCVEGCSA-N	302.334	1.761	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2CCCSC2)cc1	810195497	MOZTWAIJAQZSFH-CYBMUJFWSA-N	322.430	1.918	50	20	DDGD	
CN(NC(=O)[C@@H](c1ccccc1)N1CCC(O)CC1)C1CC1	819650628	UQNWIGYKKRJHPT-MRXNPFEDSA-N	303.406	1.310	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)CCOc2ccccc2)cn1	814823696	RMDQIMKWCNRGEE-UHFFFAOYSA-N	313.361	1.462	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(-n2cccn2)c(C)c1	817525963	YYDQQZSCZZSLRQ-UHFFFAOYSA-N	315.377	1.925	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNC(=O)c1cccc(OC)c1O	810191057	LOKMDCPQZCYKIV-UHFFFAOYSA-N	324.336	1.386	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@@H](C)OCC(C)C)c1	728206250	DVLKEXWQBGBUDC-GFCCVEGCSA-N	323.393	1.316	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1cnc(N2CCCC2)nc1	728784550	MMUWEOROOIQMOS-UHFFFAOYSA-N	310.361	1.165	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNc1nccnc1C(C)C)C(C)C	822483672	OLHBWAAOYDTHGR-LLVKDONJSA-N	308.382	1.878	50	20	DDGD	
CC(C[C@H]1COCCN1C(=O)OC(C)(C)C)=NN(C)C(N)=O	495411650	FVDBINUACPGNKQ-NSHDSACASA-N	314.386	1.399	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCCN(C(=O)OC(C)(C)C)C1CC1	727351018	GVAXHKUUADVSCV-VAWYXSNFSA-N	323.393	1.946	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2CCCCN2C)ccc1F	823416539	QVAZMTFZHGOPGA-ZDUSSCGKSA-N	309.341	1.540	50	20	DDGD	
Cc1nn(-c2ccccc2)c(C)c1C(=O)NN(C)[C@H](C)CO	823983429	SXYWIGLYNDLATO-LLVKDONJSA-N	302.378	1.447	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc(F)c2occc12	820942286	UAODQOQRTKAYDZ-LBPRGKRZSA-N	306.293	1.902	50	20	DDGD	
CC(C)C[C@H](CCO)CNC(=O)NNC(=O)OC(C)(C)C	493117059	YQINJZQDYXTXLW-NSHDSACASA-N	303.403	1.770	50	20	DDGD	
CCCN(CC)C(=O)c1ccc(C(=O)NNC(=O)C2CC2)cc1	729296922	LYBPTXOZHKIRII-UHFFFAOYSA-N	317.389	1.730	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)Nc2ccccc2C)n(C)n1	822666530	JGGVKMPEBNLDEG-UHFFFAOYSA-N	301.350	1.757	50	20	DDGD	
CCOC(=O)NNC(=O)C(C)(C)CNC(=O)OC(C)(C)C	493606491	VTIXPBHHBGVHDS-UHFFFAOYSA-N	303.359	1.315	50	20	DDGD	
COc1ncc(/C=C/C(=O)NNc2cccc([N+](=O)[O-])c2)cn1	492702992	HJJINSOTRWAESG-AATRIKPKSA-N	315.289	1.550	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(-c3nn[nH]n3)cs2)cc1	821835412	KGXQMFJGOKMUSE-UHFFFAOYSA-N	316.346	1.694	50	20	DDGD	
COCC[C@@H](Cc1cccc(Br)c1)C(=O)NN	825652452	UDGFDXZZRNLRPR-JTQLQIEISA-N	301.184	1.634	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1	823865282	MQBRFHOMFFZODX-HNNXBMFYSA-N	309.385	1.136	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1CCCc2occc21	825619531	QFPYNOIKWXWPGA-HOSYDEDBSA-N	307.350	1.412	50	20	DDGD	
CCCc1cc(C(=O)NNC(=S)N[C@H](C)C2CC2)cc(O)n1	824446094	GCAHZNKIOTZEBW-SECBINFHSA-N	322.434	1.647	50	20	DDGD	
CON1CCC(N(C)C(=O)/C(C#N)=C\c2ccc(O)cc2)CC1	491013947	VUHMUGZFDGOFBA-KAMYIIQDSA-N	315.373	1.783	50	20	DDGD	
COc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)c2c[nH]nc2C)cc1	826755600	YPPDCBZJHLKAQV-QWHCGFSZSA-N	314.345	1.291	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1cc2c(cc1OC)OCO2	490879451	RINGXJFNOYLCGC-WUXMJOGZSA-N	318.329	1.484	50	20	DDGD	
O=C(c1ccc(NCc2ccc(B(O)O)cc2)cc1)N1CCCC1	585038574	CALQGIOXLLCFDV-UHFFFAOYSA-N	324.189	1.215	50	20	DDGD	
CC(C)Oc1cccc(/C=C/C(=O)N2CC[C@H](B(O)O)C2)c1	585067275	SAXSGDMRTIRPMC-UZYOAWRESA-N	303.167	1.562	50	20	DDGD	
CC(=NNC(=O)CCNC(=O)OC(C)(C)C)c1nccnc1C	492214793	KYHJTKMEESGVNY-UHFFFAOYSA-N	321.381	1.540	50	20	DDGD	
COc1ccc2sc(C(=O)N3CC[C@H](B(O)O)C3)c(C)c2c1	585074918	DKSYGKPNXKXUKC-JTQLQIEISA-N	319.191	1.907	50	20	DDGD	
COC[C@H](SCC(=O)NNC(=O)C(C)C)c1ccccc1	901665370	UWHCUSSVKPMADX-ZDUSSCGKSA-N	310.419	1.911	50	20	DDGD	
Cc1ccc(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)cc1	737330063	PBDCTCSDGDNICN-UHFFFAOYSA-N	306.329	1.939	50	20	DDGD	
COC1(CNC(=O)[C@@]2(C)C[C@@H]2Br)CCOCC1	907089320	XMDMPCHENHWOAV-ONGXEEELSA-N	306.200	1.472	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1ccc(CC)c([N+](=O)[O-])c1	496272422	HSDANRLYJLTPCK-UHFFFAOYSA-N	317.323	1.097	50	20	DDGD	
CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)NNC(=O)C1CC1	493775980	BSEVIKFPEUGSJE-OAHLLOKOSA-N	313.398	1.485	50	20	DDGD	
COc1cccc(C2(C(=O)N3CC[C@H](B(O)O)C3)CCCC2)c1	585071348	QTPWUSPFICOJEF-AWEZNQCLSA-N	317.194	1.582	50	20	DDGD	
CN(C(=O)/C(C#N)=C/c1cnn(C)c1)C(C)(C)CN1CCCC1	490978890	WYGAQLONBFCIRG-OQLLNIDSSA-N	315.421	1.660	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1N1CCC(=NNC(=O)c2ncon2)CC1	901289694	KVBOKIVDKLKPCH-YPMHNXCESA-N	305.382	1.830	50	20	DDGD	
C[C@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1)n1cccn1	736225661	ZTNXNWAGJWLBMA-MRVPVSSYSA-N	305.246	1.656	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1csc(N2CCCCC2)n1	900384150	ALJOTHRXCZSANV-UHFFFAOYSA-N	323.422	1.487	50	20	DDGD	
Cc1nsc(NC2CC2)c1C(=O)NNC(=O)[C@@H]1CCCCO1	833235616	HTYAUWVTBARZKY-JTQLQIEISA-N	324.406	1.356	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H](C)c2ccn(C)n2)cc1	838773930	QROGYASIIFIECX-NSHDSACASA-N	315.377	1.688	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)C(=O)O)c1C	738067901	OEFTXTBRLKDWQW-ZEVOCZHWSA-N	319.361	1.248	50	20	DDGD	
O=C(NC[C@H]1CCc2ccccc21)NNC(=O)[C@H]1CCCCO1	838431538	UUXFIMNZKPBKKF-UKRRQHHQSA-N	317.389	1.616	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1ccc2ccccc2n1)N(C)C	836621895	NREFSJBFYHBXIW-NSHDSACASA-N	315.377	1.129	50	20	DDGD	
O=C(NCCN1CCCc2ccccc21)NNc1cccnn1	737045378	VMGYTDWNZFIHSG-UHFFFAOYSA-N	312.377	1.556	50	20	DDGD	
CCC(CC)[C@H]1C[C@H](NCc2ccc(B(O)O)cc2)CCO1	585034341	OTBSQDQUIFYOTQ-IAGOWNOFSA-N	305.227	1.440	50	20	DDGD	
Cc1nn(C)cc1CC(=O)NNc1nccnc1C1CCC1	832021311	XPRWCOWYNYWJBL-UHFFFAOYSA-N	300.366	1.472	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1	833242838	OXSXOASPRNOSTQ-GXFFZTMASA-N	321.333	1.415	50	20	DDGD	
OB(O)c1ccc(CNC2CCC3(CC2)CC3(F)F)c(F)c1	585050398	XLUYPFPLWDTGGS-UHFFFAOYSA-N	313.128	1.563	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)[C@H]1CCN(c2ccccc2)C1	833237046	XVPRLMKQPLBVMP-DZGCQCFKSA-N	317.389	1.229	50	20	DDGD	
O=C(NC[C@H]1CCCNC1=O)NNc1c(F)cccc1Cl	838778562	IWYGJMNFKNRTKX-MRVPVSSYSA-N	314.748	1.631	50	20	DDGD	
C[C@@H](CC(=O)N1CC[C@H](B(O)O)C1)Cc1ccc(Cl)cc1	585064748	JCNDNGKROVFKDZ-YPMHNXCESA-N	309.602	1.984	50	20	DDGD	
C[C@@H]1CCCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)[C@@H]1C	839499416	VIARVGWSMINRLU-CHWSQXEVSA-N	314.389	1.440	50	20	DDGD	
O=[N+]([O-])c1ccc(N2CC[C@H](B(O)O)C2)cc1C(F)(F)F	585072370	AFSHQMPFPXQLTR-ZETCQYMHSA-N	304.033	1.667	50	20	DDGD	
Cc1ccc(F)c(CCNC(=O)NNC(=O)c2cnn(C)c2)c1	836619736	PQPYBRCHWBVPPP-UHFFFAOYSA-N	319.340	1.054	50	20	DDGD	
COc1cc(C(=O)NN=Cc2ccc[nH]2)cc(OC)c1OC	916290451	QKLSOSYASULBLY-UHFFFAOYSA-N	303.318	1.804	50	20	DDGD	
CC(C)N1CCC[C@H](OC(=O)/C(C#N)=C\c2cnn(C)c2)C1=O	837972706	WMVDVFZRSQGYFN-LVOZBFFPSA-N	316.361	1.270	50	20	DDGD	
Cc1nc(CCC(=O)NNC(=O)Cc2ccccc2F)cs1	733104479	DUWOEADMGCNYTA-UHFFFAOYSA-N	321.377	1.913	50	20	DDGD	
CCCC[C@H](CC)CNC(=S)NNC(=O)C[n+]1ccccc1	730591323	BMEMVXQOTZZHIF-AWEZNQCLSA-O	323.486	1.686	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2C[C@@H](OC)C23CCC3)n1	838763485	CXGWMXGGSSGQFG-NXEZZACHSA-N	307.354	1.069	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(Br)cc(C=O)c1	910184840	WTRGZZHDBAQSBG-MRVPVSSYSA-N	315.167	1.219	50	20	DDGD	
CN(C)CC1(O)CCN(C(=O)[C@@]2(C)C[C@H]2Br)CC1	913677322	KIGYDYYKKATGLV-PWSUYJOCSA-N	319.243	1.075	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C[C@H]2C[C@H]3CC[C@H]2O3)cc1	839482774	LNJHQCLIGYHYEP-BPLDGKMQSA-N	317.389	1.512	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2C[C@@H](C)n3ccnc32)n1	836630227	ZFEAJARAGLKVDG-NXEZZACHSA-N	302.338	1.619	50	20	DDGD	
C[C@@H](C(=O)OCC(=O)NNC(=O)c1cccs1)C1CCC1	838392327	TWMXSBAIWPSNMA-SECBINFHSA-N	310.375	1.489	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1c[nH]c2ncccc12	741762596	LNUWSQWHBBTGTJ-UHFFFAOYSA-N	300.347	1.674	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2ccc(F)cc2)c(O)n1	917916184	DEUXFOIJOHQEFK-UHFFFAOYSA-N	319.292	1.075	50	20	DDGD	
CO[C@@H](CS(=O)(=O)NNC(=O)NC1CCCCC1)C(C)C	842573406	JELRUBPDTIUFIK-LBPRGKRZSA-N	321.443	1.124	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@H](C)NC(=O)NNc1cncc(Cl)n1	840414839	GDRRITVTHSQMFB-ISVAXAHUSA-N	313.789	1.960	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(CCN(C)C)cc2)nc1	847845191	ICLSUJPPEYAXGN-UHFFFAOYSA-N	314.389	1.951	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@H](C)N2CCCC[C@H]2C)n1	916447026	FVEQPMCKVBBGGD-VXGBXAGGSA-N	322.413	1.374	50	20	DDGD	
CC1(C)CC(=NNC(=O)COc2ccccc2[N+](=O)[O-])CO1	841608803	MARYPCRXZNKFEW-UHFFFAOYSA-N	307.306	1.645	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@@H](C)N1CCCC1	746224809	JVBGUUANJJMUHV-LLVKDONJSA-N	312.845	1.953	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)c2cc(Cl)ccc2O)n[nH]1	916158097	VXZBZRLEEUBUTM-UHFFFAOYSA-N	322.752	1.967	50	20	DDGD	
Cn1nc(C(=O)NN=Cc2ccccc2O)c2ccccc2c1=O	916316232	OGCWLQBHADWYPG-UHFFFAOYSA-N	322.324	1.403	50	20	DDGD	
O=C(CCCn1cccn1)NNC(=O)COc1ccc(F)cc1	747901287	WUTGSYFVKQKORU-UHFFFAOYSA-N	320.324	1.029	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C1C[C@@H](C)n2ncnc21	841606305	CHHHYKYPEJEDBD-SNVBAGLBSA-N	315.333	1.151	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)Cc2ccccc2F)[nH]1	747631163	CCDLOEMGPNNXIM-UHFFFAOYSA-N	303.293	1.633	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)n1C	743828926	OQJMTZUKEDVCOG-UHFFFAOYSA-N	315.377	1.866	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)Cc1ccc(OC)nc1	841628270	RXPDRMJXHRJBOS-GFCCVEGCSA-N	309.366	1.176	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@H](C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)C1	842247245	FRYOLIWEMSKSMQ-BDAKNGLRSA-N	324.312	1.469	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@@H](C)C(F)(F)F	743294329	XACMLCJPGSNCDU-MRVPVSSYSA-N	319.283	1.453	50	20	DDGD	
CC[S@@](C)(=O)=NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	925851857	STHJBKPCMWJWOZ-YICVCXCLSA-N	304.375	1.756	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2CCN(Cc3ccccc3)C2)nc1	924815083	NRHSYQSFUVOZEY-MRXNPFEDSA-N	321.384	1.918	50	20	DDGD	
Cn1cc(C(=O)NN=C[C@@H]2CCCO[C@H]2c2nccn2C)cn1	853308934	AZKZJYBGOKUBNM-WCQYABFASA-N	316.365	1.037	50	20	DDGD	
COC1(CNC(=O)NNC(=O)c2cccc(F)n2)CCCCC1	852284442	LYJJSXUBYYCLDK-UHFFFAOYSA-N	324.356	1.514	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@@H]1C1CCC1)c1cccc(F)n1	852710274	LKRXDPCVNQDEFO-GFCCVEGCSA-N	306.341	1.840	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(NC(=O)C2CC2)cc1	755601065	WPJLGEXCRPKBIO-UHFFFAOYSA-N	320.349	1.224	50	20	DDGD	
Cn1nc(C(F)(F)F)cc1C=NNC(=O)CC(F)(F)F	853294508	TXWOBQSDLINNSE-UHFFFAOYSA-N	302.178	1.841	50	20	DDGD	
O=C(NN=C(CO)c1ccc(F)cc1F)OCC(F)(F)F	853429146	FNSYTMSMGTUESI-UHFFFAOYSA-N	312.194	1.950	50	20	DDGD	
COCCOc1ccc(C#N)cc1NC(=O)NNC(=O)C(C)C	753028566	JSRQSYRQGYSFCA-UHFFFAOYSA-N	320.349	1.392	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H]2CCCCN2C)ccc1C	857267839	QSLFPXAMLAFYTQ-CQSZACIVSA-N	305.378	1.709	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)Nc1ccsc1	757658297	SKVFJFBUTBQXPI-LBPRGKRZSA-N	319.342	1.741	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1ocnc1C	751058640	HRIFTXUALSYMRU-UHFFFAOYSA-N	303.318	1.385	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NNc1ncc(Cl)cn1	856895938	PKYIXHDNWIVCQR-KOLCDFICSA-N	311.773	1.737	50	20	DDGD	
CC(=NNC(=O)NCC(F)(F)F)c1cc(C(=O)O)ccc1O	757461170	LDKRMZAVBLTQNS-UHFFFAOYSA-N	319.239	1.676	50	20	DDGD	
O=C(CCCCN1CCOCC1)NNc1ccc(Cl)cn1	856091528	OTSVRXMKFWEESW-UHFFFAOYSA-N	312.801	1.681	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)c1cc2occc2[nH]1	750828327	TUVYSEKYVJKPOO-UHFFFAOYSA-N	323.312	1.572	50	20	DDGD	
CCC(=O)N1CCC[C@@H](C(=O)NNc2ccc(Cl)cn2)C1	856095477	NXVZRQDEVNIEMK-SNVBAGLBSA-N	310.785	1.827	50	20	DDGD	
C[C@]1(CNC(=S)NC[C@H]2CCOC2)C[C@@H]1Br	857203819	CSMDEVKUXQHOSR-WCABBAIRSA-N	307.257	1.661	50	20	DDGD	
COc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	855006477	OOMQEHZLEAUDAX-OADPDTJPSA-N	318.373	1.371	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)COc2ccccc2F)[C@H]1C	858129286	GXOMAXRPXPJCFW-ZVXAKGHKSA-N	324.352	1.411	50	20	DDGD	
CC(C)(O)C1CN(C(=O)NC[C@]2(C)C[C@@H]2Br)C1	856955614	PXGYWEXZBVBKAK-CABZTGNLSA-N	305.216	1.572	50	20	DDGD	
CCCN1C[C@H](C(=O)NC[C@]2(C)C[C@H]2Br)CC1=O	857386837	ZQRNMFLMMBUBQP-BREBYQMCSA-N	317.227	1.535	50	20	DDGD	
O=C(NNc1ccccc1F)c1cncc(N2CCOCC2)c1	757123508	BAQVJDSPWCUOEI-UHFFFAOYSA-N	316.336	1.814	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H]1CCCN(C(=O)[C@H](C)CC)C1	751368941	MILSGVDXEOXMDR-NEPJUHHUSA-N	312.414	1.012	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)c1nc(C)cs1	858704292	GVYATCUWMATJGN-SECBINFHSA-N	308.367	1.270	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc(C)c(C)n1	854285394	CMFWGYYFFJFGLD-UHFFFAOYSA-N	310.423	1.186	50	20	DDGD	
CCCCCS(=O)(=O)CC(=O)NNc1ccc(Cl)cn1	856093325	GJBNMNHQFWIDBR-UHFFFAOYSA-N	319.814	1.783	50	20	DDGD	
C[C@@H]1CN(C2CC2)CC1=NNC(=O)c1ccc2c(c1)OCCO2	755892831	RWKXPTHIYKMSHM-LLVKDONJSA-N	315.373	1.658	50	20	DDGD	
CCOC(=O)NC1CCC(=NNC(=O)c2cccn2C)CC1	853284290	WQZWOKNNJAMZNJ-UHFFFAOYSA-N	306.366	1.800	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2cccc(Cl)n2)C(=O)OC1(C)C	857325671	GYLYOKPJSHNBLG-UHFFFAOYSA-N	323.736	1.148	50	20	DDGD	
N#CCOc1cccc(NC(=O)NNC(=O)c2ccccn2)c1	755933019	MLHVHIOSUVMIRZ-UHFFFAOYSA-N	311.301	1.450	50	20	DDGD	
CSc1cccc(NC(=O)C(=O)NNc2cnccn2)c1	753941073	UFFIVCGZFFTYQT-UHFFFAOYSA-N	303.347	1.280	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC12CCOCC2)c1cccc(Cl)n1	855568913	PLRUCSGAORBRNQ-VIFPVBQESA-N	309.753	1.313	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cnc(F)c(C)c1	857719987	JLLJDRYVJFZLQT-UHFFFAOYSA-N	313.329	1.079	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1cc(C)c2c[nH]nc2c1	757819341	QSTKISUGHVIJCL-UHFFFAOYSA-N	313.321	1.369	50	20	DDGD	
O=C(NNc1ccncn1)NC1(C(F)(F)F)CCOCC1	932303435	BPRSIBXQJCYLKP-UHFFFAOYSA-N	305.260	1.214	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)[C@@H]1CCCN(CC(F)F)C1	868819079	OEDVVMVNCFZFBA-MRVPVSSYSA-N	320.290	1.780	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc2c(c1)N(C)C(=O)C(C)(C)CO2	933623598	RVXHQIOQNMVWGU-UHFFFAOYSA-N	320.349	1.241	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)C(=O)Nc1ccc(Cl)nc1	764077932	VZGAGZLIDFFBEP-UHFFFAOYSA-N	310.741	1.011	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(OC(F)F)cc1)[C@H]1CCC(=O)N1	860325396	HFVJJLPCFXYCII-GZMMTYOYSA-N	313.304	1.646	50	20	DDGD	
O=C(CCC1(O)CCC1)NNC(=O)Cn1ccc2ccccc21	865181916	LRIPLNUYAGXFHT-UHFFFAOYSA-N	315.373	1.484	50	20	DDGD	
C[C@@H](NNC(=O)c1cccnc1N1CCOCC1)C(F)(F)F	862306488	LKRXKZIMQRJALA-SECBINFHSA-N	318.299	1.103	50	20	DDGD	
C[C@H](CCC1CC1)NC(=O)NNc1ccc(-n2cccn2)nn1	769558608	YZCDYVGWEHVBCG-LLVKDONJSA-N	315.381	1.867	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NN[C@H](C)C(F)(F)F)cc1	862313621	KYSRONYIVMWEBK-SSDOTTSWSA-N	305.256	1.205	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNc1cc(Cl)nc(Cl)c1	868969046	NKMGZZXQESOFMO-MRVPVSSYSA-N	305.165	1.746	50	20	DDGD	
CCCCS(=O)(=O)CC(=O)NNc1cc(F)c(F)c(F)c1	935024601	WSOKLZVEHOXHQY-UHFFFAOYSA-N	324.324	1.762	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C(=O)NC(C)C)C1CCC(C)CC1	763738075	SZYGDZUOVHQWPK-WXRRBKDZSA-N	311.426	1.511	50	20	DDGD	
C[C@@H](NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C(F)(F)F	862307677	NQAQOAMFIINYEP-RKDXNWHRSA-N	319.283	1.200	50	20	DDGD	
CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NNC(=O)c1cn[nH]c1	862472190	HSMJQVGBOOMYHT-DRZSPHRISA-N	308.382	1.545	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H](C)CN2C[C@H](C)O[C@H](C)C2)cn1	764901807	YWLYWKCHJMCTIR-YUELXQCFSA-N	318.421	1.585	50	20	DDGD	
C[C@@H](NNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)C(F)(F)F	862307525	MNXFJSKQUQRBEX-PSASIEDQSA-N	307.316	1.207	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNC(=O)CNc1ccccc1OC	863854258	YKMDLQVROQQYIO-AWEZNQCLSA-N	323.393	1.460	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)NCC2CC2)c1CC	760162744	JYHXLDZKZUCWHE-UHFFFAOYSA-N	307.398	1.600	50	20	DDGD	
CC(C)(C)[C@H](NC(=O)[C@H](Br)C(C)(C)C)C(N)=O	768244063	VBLCZAOBPLDLHN-JGVFFNPUSA-N	307.232	1.812	50	20	DDGD	
O=C1NCCC[C@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	868970042	ZMFQQDWFXXXLMF-SSDOTTSWSA-N	303.149	1.358	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)CCCCCNC(N)=O)c1	768711933	ZUAGKFZFZPRTKW-UHFFFAOYSA-N	324.772	1.278	50	20	DDGD	
CON(C)C(=O)[C@@H](C)NC(=O)NNc1cc(F)c(F)cc1F	875908733	OIIWQRLLGYCCPK-ZCFIWIBFSA-N	320.271	1.138	50	20	DDGD	
COCCOCC(=O)NN=C1CC(C)(C)Oc2cc(F)ccc21	872401698	FPPPDWBNQDSHQY-UHFFFAOYSA-N	324.352	1.870	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@H](C)n2ccnc2)n1	1116285487	NWYMWDXBDMNHCN-NSHDSACASA-N	303.370	1.224	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C[C@@H]2CCC(=O)N2C)c1	873776529	DZDNPWOHXFXLKX-LBPRGKRZSA-N	320.418	1.324	50	20	DDGD	
CCCNC(=O)NN=Cc1ccc(C(=O)N2CCCC2)cc1	872345408	RIUGOHGUFNZJSM-UHFFFAOYSA-N	302.378	1.966	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1ccc(O)cc1	771900751	JXCSQNLDJBCOSM-LLVKDONJSA-N	322.361	1.060	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)C(=O)Nc1cccc(F)c1	774000542	YDIVYNGDPXOYQY-UHFFFAOYSA-N	317.324	1.821	50	20	DDGD	
CN(CCc1ccccc1)CC(=O)NNc1ccc(F)cn1	874647106	OAQACUAPZAMCBQ-UHFFFAOYSA-N	302.353	1.838	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(C)n([C@@H](C)C2CC2)n1	777372232	OXJHDWVSLCFOSN-NSHDSACASA-N	323.397	1.143	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1ccc([N+](=O)[O-])cc1F	777886558	ZUSXNZQUOKPHCM-UHFFFAOYSA-N	302.265	1.822	50	20	DDGD	
COc1cccc(C)c1NC(=O)C(=O)NNC(=O)CC(C)C	773526448	AEUOVMZESPAIQD-UHFFFAOYSA-N	307.350	1.136	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cnc(-c2ccccc2)s1	779815975	DXFCRICUBMJERI-UHFFFAOYSA-N	318.358	1.616	50	20	DDGD	
CCCN1CCC(NC(=O)NNc2cccc(OC)n2)CC1	779966191	BDGGBYPRJFZFRP-UHFFFAOYSA-N	307.398	1.591	50	20	DDGD	
CO[C@H](C(=O)NNc1ccnc(Br)c1)C(C)C	771552803	YBCNXMZTKOJFOD-JTQLQIEISA-N	302.172	1.958	50	20	DDGD	
CCC[C@@H](CC)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	873419792	BDVVPZJKEBKRDW-NWDGAFQWSA-N	300.399	1.938	50	20	DDGD	
O=C(C[C@@H](O)c1cccc(F)c1)NNC(=O)c1ccccc1F	772557289	GRBAPFUEEZLASV-CQSZACIVSA-N	320.295	1.850	50	20	DDGD	
CCc1nc(C(=O)NNc2nc(-c3cccnc3)no2)co1	772946696	JTSAARRMHJVDKK-UHFFFAOYSA-N	300.278	1.439	50	20	DDGD	
CC1(C)C[C@]1(C(=O)NNC(=O)C1CCOCC1)c1ccccc1	883072375	JRMNXGGGGJYUOE-GOSISDBHSA-N	316.401	1.928	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)[C@H]1CCCOC1	779770833	HSDKXUCZPUEOGT-NSHDSACASA-N	309.391	1.397	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccc(C#N)cn1)CN1CCCC1	887829739	UACRIYHSKGXPGW-LBPRGKRZSA-N	302.382	1.311	50	20	DDGD	
COC(=O)c1ccc(CNS(=O)(=O)CCCCl)s1	882272165	MSFABNCCPXELOJ-UHFFFAOYSA-N	311.812	1.583	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCC(F)CC1	880240274	SCXRCHCVZMRXRE-UHFFFAOYSA-N	307.369	1.119	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCCNc2ccccc21	774387272	AEVBDTJKQGVFBI-GFCCVEGCSA-N	305.378	1.764	50	20	DDGD	
CC(C)c1ccc(NNC(=O)N[C@@H](C)c2nnnn2C)cc1	1123741571	AMPNRKCEJMVTSL-JTQLQIEISA-N	303.370	1.721	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1cncc(O)c1	785954762	FAZVNIAAQYIRGJ-UHFFFAOYSA-N	306.347	1.035	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1conc1C1CC1	785691260	RBBYXQDGVSZMMY-UHFFFAOYSA-N	319.292	1.531	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@H]1OCCc2ccccc21	887144246	GZBLAQDMJODKOU-OAHLLOKOSA-N	300.358	1.641	50	20	DDGD	
CN(CC(=O)NNc1cc(F)ccc1F)[C@@H]1CCSC1	885143142	VQZSYOCHMLLIRD-SNVBAGLBSA-N	301.362	1.845	50	20	DDGD	
O=Cc1ccc(OCCC(=O)NNc2ccnc(F)c2)cc1	781356217	WOXRSZIDXXDCNS-UHFFFAOYSA-N	303.293	1.945	50	20	DDGD	
CC1(NC(=S)NNC(=O)COc2ccc(Cl)cc2)CC1	789172358	HIHNKIATWHGPIP-UHFFFAOYSA-N	313.810	1.767	50	20	DDGD	
CCc1c(C(=O)NNC(=O)NCC2CC2)cnn1C1CCCC1	789743828	IBXZPUKSPHFDAD-UHFFFAOYSA-N	319.409	1.915	50	20	DDGD	
C[C@@H]1CN2CCN1C[C@H]2C(=O)NNc1ccc(F)c(Cl)c1	1123840961	RXVMSPIOURXIKR-RNCFNFMXSA-N	312.776	1.311	50	20	DDGD	
Cc1cc(C)n(CCC(=O)NNC(=O)c2ccc(C)c(O)c2)n1	882046724	FYONJOSHOWZXJL-UHFFFAOYSA-N	316.361	1.365	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2CCC[C@H]2OC)ccc1F	1120655474	FIVMAUKNQCBODM-ZWNOBZJWSA-N	310.325	1.871	50	20	DDGD	
Nc1ncc(C=NNC(=O)NCc2ccc(Cl)cc2)cn1	781595176	YKMHSAPSTGTOKP-UHFFFAOYSA-N	304.741	1.546	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc(C2CC2)on1	899890176	OHYKPKWXMFOANR-UHFFFAOYSA-N	312.395	1.040	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCOc2ccc(Cl)cc21	783867929	WQYOAFBFQRLEPE-UHFFFAOYSA-N	311.725	1.299	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21	892752257	DJCVKVYMVCRAFH-BMGDILEWSA-N	322.364	1.755	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NCCN2CCNC2=O)c(C)c1	891079213	FIYJKSFJFCBZFH-UHFFFAOYSA-N	305.382	1.263	50	20	DDGD	
C[C@@H](OC(=O)/C(C#N)=C\C1CC1)C(=O)NC(=O)NC(C)(C)C	786676222	QBEZBHWOTMBXPC-MDXIRLPMSA-N	307.350	1.402	50	20	DDGD	
C[C@H](CNC(=O)NNc1ncncc1Cl)CN1CCCC1	780999262	CAOGHBHVSVQJQP-SNVBAGLBSA-N	312.805	1.488	50	20	DDGD	
COc1cccc(NNC(=O)/C=C\c2ccc(O)c(O)c2)n1	781027411	QISLNIVWEMVKIJ-VURMDHGXSA-N	301.302	1.658	50	20	DDGD	
CC1(NC(=S)NNC(=O)c2cc(-c3ccccc3)[nH]n2)CC1	789161565	KRMWRFCBNGTCLL-UHFFFAOYSA-N	315.402	1.738	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CNc1ccc(C)cc1	891957799	LKWGVLYYQHWNKJ-HOCLYGCPSA-N	317.389	1.536	50	20	DDGD	
COC(=O)c1ccc(/C=C(/C#N)C(=O)[C@H]2CCCOC2)nc1	899345812	VOWALIFZZHVPFY-BPLGCGBFSA-N	300.314	1.771	50	20	DDGD	
O=C(CCCC[C@H]1CCSS1)NCCN1CCNC1=O	899473747	WQCACQLQHNZKQT-NSHDSACASA-N	317.480	1.842	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)CNc2ccc(C)cc2C)no1	895556253	GPGTWGBKFNLXJD-UHFFFAOYSA-N	316.361	1.727	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cnc(-c2ccccn2)nc1	894255006	MPMCDSGEINYGCP-UHFFFAOYSA-N	313.361	1.736	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NNc2cccc(F)c2[N+](=O)[O-])C1	791066748	JCGFWHOUHMIXIS-JTQLQIEISA-N	324.312	1.436	50	20	DDGD	
COc1cc(C)cnc1C(=O)NNC(=S)NCC1CCC1	792592358	NENVGGSGPKMNDB-UHFFFAOYSA-N	308.407	1.308	50	20	DDGD	
C=C(Br)CNC(=O)NNC(=O)c1cccc(C)n1	792861101	XNLAMTLNSDIPDA-UHFFFAOYSA-N	313.155	1.243	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1ccnn1-c1ccccc1	799109757	LALUPCVMSAUFMZ-UHFFFAOYSA-N	308.345	1.760	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1cccc2cn[nH]c12	1318799519	MIZRABBZSCJGGK-UHFFFAOYSA-N	311.301	1.036	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccccc1N1CCOCC1	1318117367	DFALVUWNDFVUPK-UHFFFAOYSA-N	322.434	1.041	50	20	DDGD	
O=C(NNc1cncc(Br)c1)c1csnn1	1319761494	DHVMZWPZWVFOIW-UHFFFAOYSA-N	300.141	1.453	50	20	DDGD	
C=C(CBr)CN1CCC[C@@H](C(=O)NC2CC2)C1	1324933149	JFIUGGIVWOHEHE-LLVKDONJSA-N	301.228	1.928	50	20	DDGD	
O=C(NC/C=C/C1CC1)NNC(=O)c1ccc2c(c1)OCCO2	1324893562	JNMSKYYMVXKLGF-OWOJBTEDSA-N	317.345	1.368	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cn(C3CC3)nn2)c2ccccc21	1329258946	YGDCOIPSUJIZQH-UHFFFAOYSA-N	324.344	1.180	50	20	DDGD	
CCN1CC[C@H](NS(=O)(=O)c2ccc(CCl)cc2)C1=O	708627800	BWIQLRFJKIMNOT-LBPRGKRZSA-N	316.810	1.325	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)c1cncn1-c1ccccc1	1321109351	CGUIBSWIOLRARX-LLVKDONJSA-N	317.418	1.780	50	20	DDGD	
CC(C)C(=O)Nc1nc(CC(=O)NNc2ccn(C)n2)cs1	1320948404	DWLDLLCFOHVPOE-UHFFFAOYSA-N	322.394	1.157	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2ccc(N3CCCC3)cc2)N1	1331820075	DLOMOJIUYGXGMO-AWEZNQCLSA-N	300.362	1.016	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]1F)c1ccc(Br)cc1	1339503298	VPTKAHGVUBMXSP-DTWKUNHWSA-N	301.115	1.568	50	20	DDGD	
Cn1cc(NC(=O)NNC(=O)CC(C)(C)C)c(C(F)F)n1	1346679287	LFOXCCXSDRIRGD-UHFFFAOYSA-N	303.313	1.947	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)c1cncn1-c1ccccc1	1346848533	YOCFLHNYFGTLCC-UHFFFAOYSA-N	318.340	1.466	50	20	DDGD	
CSCCCCCCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	1261453592	KJWHMWHXIHKPMR-NWDGAFQWSA-N	317.455	1.665	50	20	DDGD	
C[C@@H]1C[C@H]2CC[C@H](C(=O)NNC(=O)c3ccccc3)CN2C1	1350795403	YILLNBPFLBFBLF-VHDGCEQUSA-N	301.390	1.568	50	20	DDGD	
CN(NC(=O)c1cc(C(F)(F)F)n(C)n1)C(=O)OC(C)(C)C	1528493006	OIRNTUDLZDSQCK-UHFFFAOYSA-N	322.287	1.951	50	20	DDGD	
O=C(CCc1cccnc1)NNc1cccc(C(=O)O)c1F	1601290762	SWQWCCKQIYLNRS-UHFFFAOYSA-N	303.293	1.995	50	20	DDGD	
O=C(O)[C@@H]1CCC[C@@H](C(=O)NNC(=S)Nc2ccccn2)C1	1601803056	IIBGWATXSNVZJU-NXEZZACHSA-N	322.390	1.290	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(CCl)cc2)C1	1602178135	HJDOIEVGVZERRT-MNOVXSKESA-N	317.794	1.957	50	20	DDGD	
Cc1cc(C)c(C(=O)O)cc1NC(=O)NN=c1cc[nH]cc1	1600157059	JDQTUIGGRKAZCR-UHFFFAOYSA-N	300.318	1.967	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@@H](CC(=O)O)C2CC2)nc1	1607277231	CBVPYFGXBXWGCE-SNVBAGLBSA-N	308.338	1.217	50	20	DDGD	
O=C(O)c1ccc(Cl)c(C(=O)NNC(=O)c2ccc[nH]2)c1	1602355874	CYXHXCOMMHYLRC-UHFFFAOYSA-N	307.693	1.441	50	20	DDGD	
N#Cc1ccc(F)c(C(=O)NNc2ccc(C(=O)O)cn2)c1	1601102984	VWHIBKYXLCCICE-UHFFFAOYSA-N	300.249	1.547	50	20	DDGD	
C/C(=C\C(=O)NNc1ccc(-c2nn[nH]n2)cn1)c1ccco1	1602899677	GUEBXRFBBBCKPH-VQHVLOKHSA-N	311.305	1.401	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)Nc1cc(C(=O)O)ccn1	1610564102	BEDGDVIWYFCUGQ-UHFFFAOYSA-N	321.318	1.011	50	20	DDGD	
O=C(NN=Cc1ccnc2ccccc12)[C@@H]1CN2CCC[C@H]2CO1	1549315025	ALWBULGSYIUELT-YOEHRIQHSA-N	324.384	1.548	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1cccc(F)c1	1549314676	JSTYQDIHXCUGGW-GJZGRUSLSA-N	305.353	1.529	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@]2(C)CCCC[C@H]2C(=O)O)cn1	1610601679	RSIXPDBPIPFQLX-ARHVRBKFSA-N	316.361	1.477	50	20	DDGD	
O=C(NN=Cc1cccnc1Cl)[C@H]1CN2CCC[C@@H]2CO1	1549321694	UWPJNQOJMPUZMH-VXGBXAGGSA-N	308.769	1.048	50	20	DDGD	
COc1cccc(F)c1C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	1549312154	CMJIYCBYNKUORV-ABAIWWIYSA-N	321.352	1.148	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NN=C[C@H]2CCCO[C@H]2c2cnn(C)c2)O1	1552672410	KNIAEXXGWMCJHW-QHSBEEBCSA-N	320.393	1.557	50	20	DDGD	
C[C@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCO1	1589792437	BCTVUBBPMFLWPR-ZWNOBZJWSA-N	316.365	1.515	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H](C(=O)O)C1CCCC1	1593888532	CMUWEZYCSSLPKL-ZDUSSCGKSA-N	320.345	1.807	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@H]1CC[C@H]1C(=O)O	1594145914	DJZKIDURHTZCNY-DTWKUNHWSA-N	323.374	1.124	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CCCC(=O)O)cc1C	1594373700	SRZTYVWDKIONLB-UHFFFAOYSA-N	309.391	1.876	50	20	DDGD	
CN(CCNC(=O)NNc1ccc(F)c(C(=O)O)c1)C1CC1	1598491415	VNAICFIGDNPPAH-UHFFFAOYSA-N	310.329	1.244	50	20	DDGD	
CS[C@@H]1CCC1=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1591690381	NPQWLZHGNZYKIO-LLVKDONJSA-N	302.363	1.478	50	20	DDGD	
CS[C@H]1CCC1=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1591690382	NPQWLZHGNZYKIO-NSHDSACASA-N	302.363	1.478	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cnn1C	14081229	MCYAZIULOMAFIN-UHFFFAOYSA-N	316.405	1.706	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1ccn(C2CCCC2)n1	150900380	ASWQPBZQPJSFIH-UHFFFAOYSA-N	317.349	1.735	50	20	DDGD	
COCCC1(C(=O)NNc2nc(-c3ccncc3)no2)CC1	161368743	UJHQIOGKOLNIHD-UHFFFAOYSA-N	303.322	1.391	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NNc1ccc(F)cc1F	158161706	AYGZMEMSUMMJPA-NSHDSACASA-N	300.309	1.635	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)Cc2ccc(-n3cnnn3)cc2)c1	158896671	MOTDACYJQMEPDJ-UHFFFAOYSA-N	322.372	1.965	50	20	DDGD	
CN(CC(=O)NNC(=O)CCc1ccccc1)c1ccccc1	154144039	WQBAFIIZEKIMEB-UHFFFAOYSA-N	311.385	1.903	50	20	DDGD	
COC(=O)NCCNS(=O)(=O)c1ccc(CCCl)cc1	308137726	GKWZZUQPCSCUGZ-UHFFFAOYSA-N	320.798	1.102	50	20	DDGD	
COCC(COC)NS(=O)(=O)c1ccc(CCl)cc1	384441003	YPIXNKYDJJZLEQ-UHFFFAOYSA-N	307.799	1.365	50	20	DDGD	
C#CC[C@H](CO)NS(=O)(=O)c1ccc(CCCl)cc1	717769997	NGVYKELQDJSXDV-GFCCVEGCSA-N	301.795	1.130	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1cccs1	7138403	DMRYIAMQNNZRBY-UHFFFAOYSA-N	314.326	1.059	50	20	DDGD	
CC(=O)c1cccc(OCCCC(=O)NNC(=O)C2CC2)c1	58781352	OSJRKRGCZBZQKA-UHFFFAOYSA-N	304.346	1.606	50	20	DDGD	
CCOCCCCNC(=O)NNC(=O)COc1cccc(C)c1	56425233	YDFNSPPXAOAIOP-UHFFFAOYSA-N	323.393	1.521	50	20	DDGD	
CC(C)CCO[C@@H](C)C(=O)NNC(=O)CNc1ccccc1	104830550	FOKGFTTTXLZFCP-ZDUSSCGKSA-N	307.394	1.697	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N1CCOCC1)c1cccc(F)c1	172511013	KHASQTCMRBZUDF-UHFFFAOYSA-N	309.341	1.176	50	20	DDGD	
Cc1ccc(NNC(=O)NCCc2c(F)cccc2F)nn1	106261477	RGKXCVMDSITIHF-UHFFFAOYSA-N	307.304	1.932	50	20	DDGD	
C[C@H](C1CC1)N(CC(=O)NNC(=O)C1CC1)Cc1ccccc1	112976804	DLIPKLQIGCMMBI-CYBMUJFWSA-N	315.417	1.845	50	20	DDGD	
CN(CC(=O)NNc1ccccc1)S(=O)(=O)c1ccccc1	111553660	FBAVQKGCBKCGEG-UHFFFAOYSA-N	319.386	1.450	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2ccccc2F)c1O	108974728	CRDMFUHVQBLDJR-UHFFFAOYSA-N	302.305	1.843	50	20	DDGD	
Cc1[nH]c2ccccc2c1CC(=O)NNC(=O)Cc1cccnc1	103424183	HYGYTVSLGHAPRP-UHFFFAOYSA-N	322.368	1.804	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)c2cccn2C)ccc1F	105589842	XAPAIDXHUGJBIX-UHFFFAOYSA-N	311.338	1.096	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCC1(N2CCCCC2)CCOCC1	178966067	TUHCELBYGDJGKX-FYWRMAATSA-N	321.421	1.582	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)NC2CC2)cc1OCC	64428045	DYWBOGLZTSLOID-UHFFFAOYSA-N	321.377	1.981	50	20	DDGD	
CCNC(=O)NNC(=S)Nc1ccc2c(c1)OC(F)(F)O2	64937081	IOKJEMPYZYELON-UHFFFAOYSA-N	318.305	1.529	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@H]1C[C@@H]1c1c(F)cccc1F	116562454	SMGIDALNDFPTSP-UFBFGSQYSA-N	320.299	1.793	50	20	DDGD	
CN1C[C@H](C(=O)NNc2ccc(Cl)cc2Cl)CC1=O	178880908	QYKNWDHRUPWJOS-SSDOTTSWSA-N	302.161	1.915	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cccc3[nH]ncc23)cc1	61464373	RGSMDVIIRWEVED-UHFFFAOYSA-N	305.297	1.509	50	20	DDGD	
CCCCSCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	24551344	OQQGOJJPHHGNFR-ZDUSSCGKSA-N	324.402	1.507	50	20	DDGD	
O=C(CN1CCC2(CCCC2)C1)NNC(=O)c1ccc(F)cc1	173828139	BNKZNOIDALICKT-UHFFFAOYSA-N	319.380	1.853	50	20	DDGD	
CC(=O)CCC(=O)NNC(=O)c1cccc(OC(F)F)c1	171490071	QFSZEZTZKYDYLO-UHFFFAOYSA-N	300.261	1.418	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1nccn1C(F)F	171367360	YUNFEMAEPFIXOE-UHFFFAOYSA-N	303.313	1.545	50	20	DDGD	
CSC[C@H](C)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	66757184	DMKHMCUJKKKTBD-VIFPVBQESA-N	310.375	1.218	50	20	DDGD	
CC[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cccnc1	175106915	JKUIIZJWOUIMLO-CYBMUJFWSA-N	317.320	1.839	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H](C)OC[C@@H]1CCCCO1	66308050	GCOCWUMKVYGVOR-KGLIPLIRSA-N	320.389	1.730	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCCc2cnn(C)c2)n1	171260331	FJIMMBOWQIFGCO-UHFFFAOYSA-N	303.370	1.086	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O	178969504	MWYUNHOTZHHDKL-LDGMUZPGSA-N	313.357	1.741	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnn(-c2ccccc2C)c1C	65189941	UWUYAVNQTBPSBK-UHFFFAOYSA-N	301.350	1.453	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C1[C@H]2CCC[C@H]12	178076448	PZPWUWIIMVJZBF-STQMWFEESA-N	302.374	1.821	50	20	DDGD	
CC(C)CCO[C@H](C)C(=O)NNC(=O)c1ccc(Cl)nc1	68868193	ORJILYBCVMMPOC-SNVBAGLBSA-N	313.785	1.947	50	20	DDGD	
C[C@H]1CCN(C(=O)NNC(=O)COCc2ccccc2)[C@H]1C	177002461	TZRHSYUPQNLPBL-STQMWFEESA-N	305.378	1.674	50	20	DDGD	
O=C(NCCC(=O)N1CCOCC1)c1cccc(CCl)c1	123842073	YYDFKCYTRSYJJW-UHFFFAOYSA-N	310.781	1.404	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNc1ccc(Cl)nn1)c1ccco1	126274585	JCNFYKKNGXYZIK-VIFPVBQESA-N	324.772	1.652	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc2ccc(OC)cc2nc1C	65190440	GPTYTNIIUWZBFY-UHFFFAOYSA-N	302.334	1.516	50	20	DDGD	
COc1ccc(F)c(C(=O)NNC(=O)c2cccn2C)c1OC	188177217	QXNSNWHREOZXFG-UHFFFAOYSA-N	321.308	1.256	50	20	DDGD	
Cn1c(NNC(=O)c2cccs2)nc2ccccc2c1=O	70919617	NFPIZJYKSOBKJB-UHFFFAOYSA-N	300.343	1.752	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C2CC=CC2)cc1	77733656	RRGUVUSJYWHEPG-GFCCVEGCSA-N	318.373	1.966	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NNC(=O)CC(C)C	32588070	NUQCWKXHYDAQTP-UHFFFAOYSA-N	315.351	1.259	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccc(C(N)=O)c(C)c2)o1	184992068	GNXBVYHNDDFQLB-UHFFFAOYSA-N	316.317	1.462	50	20	DDGD	
CCn1c(NNC(=O)c2c[nH]c(C#N)c2)nc2ccccc2c1=O	180214222	IKSHDINPZDDFRJ-UHFFFAOYSA-N	322.328	1.373	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNC(=O)c2cccn2C)cc1	124203234	NQFASTUJFJOKLN-GFCCVEGCSA-N	315.373	1.674	50	20	DDGD	
COc1ccncc1NC(=O)C(=O)NNc1cccc(F)c1	120832364	GHYMYPSUQZCNTO-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
CCCc1[nH]nc(C(=O)NNc2ccnc(F)c2)c1[N+](=O)[O-]	182465758	PZUUHZVMENQIRB-UHFFFAOYSA-N	308.273	1.561	50	20	DDGD	
CC(C)(Oc1ccc(F)cc1)C(=O)NNC(=O)Cc1cc[nH]n1	186152182	PYHSIZZZNMEKHZ-UHFFFAOYSA-N	320.324	1.096	50	20	DDGD	
CCn1nc(C(C)C)cc1C(=O)NNC(=O)NCc1ccco1	122784729	LBKULHGNQIHRHQ-UHFFFAOYSA-N	319.365	1.764	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(-c2ccc(F)cc2)on1	135052069	AQMUJNMMGALLHB-UHFFFAOYSA-N	306.297	1.835	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)C[C@@H]1CCC[C@@H](C)C1	77164056	NXVWNSBOTLICDR-VXGBXAGGSA-N	311.426	1.655	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2sccc2C#N)cc1	194601632	ACMHQBMVGKRWMA-UHFFFAOYSA-N	315.354	1.768	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNC(=O)c2c[nH]nc2C)cc1	131630862	KLFWGMLUWPOMPD-JTQLQIEISA-N	316.361	1.367	50	20	DDGD	
CCC[C@H]1C[C@@H](C(=O)NNc2cc(Cl)nc(N)n2)CCO1	134100111	JJTNAWGCVQGSHN-IUCAKERBSA-N	313.789	1.751	50	20	DDGD	
C[C@H](CCc1ccccc1F)C(=O)NNC(=O)c1cnn(C)c1	80356161	ZTVLYLFXGKENFS-LLVKDONJSA-N	318.352	1.589	50	20	DDGD	
CC(C)Cn1ncc(C(=O)NNC(=O)c2ccc[nH]2)c1C1CC1	132267575	HYXSODVXQYGWFQ-UHFFFAOYSA-N	315.377	1.819	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NNC(=O)c2ccc[nH]2)cc1	193225577	DBAFYOPCIYPVOP-JLHYYAGUSA-N	324.340	1.782	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc(Cl)cc1F	132166197	OILLAPQEFXCDNU-LLVKDONJSA-N	300.717	1.809	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1	81106622	ABJAUPXBLZUNNG-CQSZACIVSA-N	323.368	1.958	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(C)ccc1F	94121479	CZSHKJSGMVFIOT-UHFFFAOYSA-N	301.412	1.606	50	20	DDGD	
CCNS(=O)(=O)[C@@H]1CCN(/C(=C/C#N)c2ccccc2)C1	92843763	RDGXIJVHLRAGCY-VLHYRRCOSA-N	305.403	1.565	50	20	DDGD	
C[C@H](C(=O)NC1CC1)N1CCN(/C(=C\C#N)c2ccccc2)CC1	255918064	KFQIFPSYGLMFDL-FNMPFJKNSA-N	324.428	1.836	50	20	DDGD	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NNC(=O)c1cc(C)n[nH]1	268871994	UQYZFLHRRGWGRJ-SUHUHFCYSA-N	322.409	1.853	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCC(C)(C)SC	266688591	DZLYJBMOMCXRRQ-UHFFFAOYSA-N	311.407	1.781	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)C[C@@H]2COC(=O)C2)c1	268847095	RUYCDRADWGWEGG-NSHDSACASA-N	321.402	1.574	50	20	DDGD	
CN1CC[C@@H](NC(=O)NNc2cc(Cl)ccc2Cl)C1=O	267992672	HSKPVYNMULLJGT-SECBINFHSA-N	317.176	1.850	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=S)NCCc1cccs1	265918392	XUVDATLZEQWDCF-UHFFFAOYSA-N	324.431	1.650	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@@H]1CCc2c[nH]nc2C1	368618772	LUMZZRJBYWECAM-LLVKDONJSA-N	323.356	1.499	50	20	DDGD	
COc1ccc(OCC(=O)NNc2nc(C)cc(C)n2)cc1C	268939645	AYIZNPUFQADVIE-UHFFFAOYSA-N	316.361	1.933	50	20	DDGD	
CC(C)(C)OC(=O)C(=O)NNc1ccc(C(F)(F)F)nn1	274102888	TWZUYLQILQNGKS-UHFFFAOYSA-N	306.244	1.280	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCSC(C)(C)C2)n1	279679087	OKQIQQGHLYMVBN-UHFFFAOYSA-N	308.407	1.572	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc2c(c1)N(C)CCO2	273538319	XTOQSDBUHKNRIT-UHFFFAOYSA-N	306.366	1.714	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2c(C)ccn2C)cc1	275898765	JWSFHVUGEIYOIM-UHFFFAOYSA-N	315.373	1.736	50	20	DDGD	
Cn1cncc1C(=O)NNC(=O)c1cc2c(s1)CCCCC2	278526499	DGAHDZAOHYUVIA-UHFFFAOYSA-N	318.402	1.825	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)Nc1ccc(Cl)c(F)c1	274083609	RMDUPNXBHNYCKM-UHFFFAOYSA-N	313.716	1.365	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC2CCOCC2)c1	272531498	BGAHKQLZYKDUHZ-UHFFFAOYSA-N	307.350	1.526	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccccc1N1CCCC1=O	274425799	PJELNQUBSGVQMI-UHFFFAOYSA-N	319.365	1.511	50	20	DDGD	
CCO[C@@H](C)C(=O)NNC(=O)Nc1cc(OC)ccc1Cl	283622673	HKSIEBUPQGJFNN-QMMMGPOBSA-N	315.757	1.926	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)NNc1ncnc2ccsc12	286831106	USVUMELWCOAZQO-NSHDSACASA-N	319.390	1.535	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@@H]1COc2ccccc2[C@H]1O	288479625	VCTYKGWFUTXTKN-DGCLKSJQSA-N	319.810	1.419	50	20	DDGD	
CCOCC(C)(C)CNC(=O)NNC(=O)Cc1ccncc1	289363138	IPVYFTRCSWMSTH-UHFFFAOYSA-N	308.382	1.017	50	20	DDGD	
COCCOCCN(C)C(=O)c1c(C)nn(CCCl)c1C	289076491	ZZKYDYCZXBWBFB-UHFFFAOYSA-N	317.817	1.474	50	20	DDGD	
CO[C@@H](C(=O)NNc1nnc(-c2ccccn2)s1)C1CC1	281086990	BMCUATBXNGVJBX-SNVBAGLBSA-N	305.363	1.468	50	20	DDGD	
O=C(NCc1ccc(Cl)nc1)NNC(=O)[C@H]1CCCCO1	296128050	BXSQJBRBMBBFGJ-SNVBAGLBSA-N	312.757	1.135	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@@H]2CSC[C@H]2C)c1	804867229	LLBNHUZVGIYQFK-DGCLKSJQSA-N	323.418	1.456	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)C[C@H]2COC(=O)C2)cc1C	291141772	HRUOXFZRMZNKSE-LLVKDONJSA-N	320.345	1.568	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)Cc2ccc(F)cc2)ccn1	806661563	LNWLFDDKYWYEOJ-UHFFFAOYSA-N	318.308	1.625	50	20	DDGD	
CCn1nc(C(=O)NNc2ccc([N+](=O)[O-])cc2C)ccc1=O	805372706	DCVYFOQAQYZVRS-UHFFFAOYSA-N	317.305	1.237	50	20	DDGD	
CS(=O)(=O)c1ccccc1CC(=O)NCC(Cl)Cl	294135298	AEHNLXVFJUBSNP-UHFFFAOYSA-N	310.202	1.553	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2ccc(N)nc2)cc1OC	807945966	WRAIVDQSSTUNMW-UHFFFAOYSA-N	300.318	1.445	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNc2ncnc3[nH]cnc23)cn1	806893129	PPBCLHQGTQSGKL-UHFFFAOYSA-N	312.337	1.197	50	20	DDGD	
CO[C@H]1CCC[C@@H]1C(=O)NNC(=O)c1nc2ccccc2s1	1353790988	WJDFWLOGZUWWDY-ONGXEEELSA-N	319.386	1.872	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CSC[C@H]2C)cc1	807475498	FHZKOGAZDMVVHV-DGCLKSJQSA-N	323.418	1.456	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)/C=C/c2ccc(O)cc2)cc1	299829329	JGRZHEDXGDHHEV-NYYWCZLTSA-N	312.325	1.875	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cc2c(nc1O)CCCC2=O	299049525	JGQLNZJLACFNIQ-UHFFFAOYSA-N	321.333	1.476	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCc2cncc(C)c2)n1	293192834	KYICYHQZBKIYCS-UHFFFAOYSA-N	301.350	1.573	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@](C)(OC)C2CC2)c1	292441574	VJJJWJKTWBPRNX-MRXNPFEDSA-N	321.377	1.914	50	20	DDGD	
CO[C@H](C)c1nsc(NC(=O)NNC(=O)c2ccc[nH]2)n1	809928292	JGNBXBOVBUZZFP-ZCFIWIBFSA-N	310.339	1.040	50	20	DDGD	
O=C(/C=C\c1ccccc1F)NNc1ccc(-n2ccnc2)nn1	804956422	MWASMWLTEWSLCH-YVMONPNESA-N	324.319	1.958	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2ccncn2)C12CCCC2	296467071	MLFSNSPDYFLLHY-VXGBXAGGSA-N	305.382	1.841	50	20	DDGD	
O=C(CC1OCCCO1)NNc1cc(Cl)ccc1[N+](=O)[O-]	296170419	RPHCJQZFCULLHT-UHFFFAOYSA-N	315.713	1.844	50	20	DDGD	
N#C/C(=C/c1ccc(F)c(S(N)(=O)=O)c1)c1ccccn1	806565012	IMSWVLZWKICKCN-XFFZJAGNSA-N	303.318	1.932	50	20	DDGD	
COc1nnccc1NC(=O)NNC(=O)c1ccc(Cl)cc1	808902508	VMUPFHQQEDRZTR-UHFFFAOYSA-N	321.724	1.605	50	20	DDGD	
O=C(NNC(=O)C1(F)CCCCC1)c1ccc2c(c1)OCO2	809950375	PPIDRXVOWDMSEC-UHFFFAOYSA-N	308.309	1.849	50	20	DDGD	
O=C(NNC(=O)c1ncccc1O)Nc1ccc(Cl)cc1	802018085	ATLADIXLYFZION-UHFFFAOYSA-N	306.709	1.907	50	20	DDGD	
N#Cc1cc(O)cc(C(=O)NNc2cnnc3ccccc23)c1	809681361	WFPQMWQQAPFGMC-UHFFFAOYSA-N	305.297	1.964	50	20	DDGD	
COC(=O)Cc1occ(C)c1C(=O)NNc1nccnc1Cl	810407196	ANJGWQCYBJTXGX-UHFFFAOYSA-N	324.724	1.504	50	20	DDGD	
N#Cc1cc(C(=O)NNc2cccnn2)cnc1C(F)(F)F	816067950	FKRBUZHFVGPZLB-UHFFFAOYSA-N	308.223	1.519	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Cc1cccc(Cl)c1F	810468732	VJSRBCSPZLJGTI-UHFFFAOYSA-N	321.739	1.807	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@@H](C)n2cccn2)c(O)c1	819843721	FDHIOCZTCXAMFI-LLVKDONJSA-N	302.334	1.309	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21	816829420	OYHBMFSVGZIPAU-IINYFYTJSA-N	312.373	1.845	50	20	DDGD	
COCCC(COC)=NNC(=O)c1cc(OC)cc(OC)c1	812223600	DSDMIDHLIOAZEF-UHFFFAOYSA-N	310.350	1.473	50	20	DDGD	
COc1ccc(CCC(=O)NN=C(C)C[C@H]2CCC(=O)N2)cc1	811639221	RXKYJMBZYFKUAS-CQSZACIVSA-N	317.389	1.789	50	20	DDGD	
CCOc1ccc(C(=O)NN=Cc2n[nH]cc2C)cc1OC	814754005	BWWZJKWZESCCNH-UHFFFAOYSA-N	302.334	1.889	50	20	DDGD	
COc1ccc(NCC(=O)NN=C(C)C[C@H]2CCC(=O)N2)cc1	811631451	YSPMKWGEXATKFV-CYBMUJFWSA-N	318.377	1.268	50	20	DDGD	
Cn1c(NNC(=O)c2cnn3cccnc23)nc2ccccc21	816577576	RDFPDAPSGDSYAB-UHFFFAOYSA-N	307.317	1.373	50	20	DDGD	
CC1(C(=O)NNc2nc(-c3ccccc3)no2)CCOCC1	728079658	SRSMKHVCYFMOTJ-UHFFFAOYSA-N	302.334	1.996	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnn(Cc2ccccc2)c1	725908735	QWHMBDFONLRDHD-UHFFFAOYSA-N	315.402	1.226	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccc3nccn3c2)c1	728825941	XHPJMCVSOSHOJB-UHFFFAOYSA-N	305.297	1.281	50	20	DDGD	
CC(C)CC(=O)N[C@H](C(=O)NNC(=O)C1CC1)c1ccccc1	727364309	RDIANZYBXMAMFG-HNNXBMFYSA-N	317.389	1.447	50	20	DDGD	
COc1ccnc(NNC(=O)NCCC2(CSC)CC2)n1	820998350	AOVGFPGSKCTFIX-UHFFFAOYSA-N	311.411	1.645	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccccc1	827259213	HQZWGDKBLSFOFP-YUTCNCBUSA-N	301.346	1.116	50	20	DDGD	
CCCN(C)C[C@H]1CCN(C(=O)/C(C#N)=C\c2cnn(C)c2)C1	491045676	FQLSYPZNRJFEAO-MEFZMRIGSA-N	315.421	1.517	50	20	DDGD	
CCc1nocc1C(=O)NNC(=O)c1ccc(OC)cc1OC	826646550	HFKGRSLWSXMOKE-UHFFFAOYSA-N	319.317	1.329	50	20	DDGD	
COc1ccc(SCCCC(=O)NN(C)[C@H](C)CO)cc1	823934741	JGZSBYLUSQRXHB-GFCCVEGCSA-N	312.435	1.911	50	20	DDGD	
COc1ccc(COCCCC(=O)NN(C)[C@@H](C)CO)cc1	823939858	QKFHULPAQWFQBF-ZDUSSCGKSA-N	310.394	1.336	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NN=Cc1cccnc1	494079353	SYNFBZRSPVCOAK-UHFFFAOYSA-N	306.366	1.837	50	20	DDGD	
Cc1oc(-c2ccccc2)nc1CC(=O)NN(C)[C@H](C)CO	823977257	RYMOSXMNOADWCM-LLVKDONJSA-N	303.362	1.536	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(N)c(OC(F)(F)F)c1	821218334	ZDZDEKUADZLUEV-SSDOTTSWSA-N	307.272	1.125	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)Cc2ccc(Cl)cc2)CO1	827607152	PTOJVKYEZHGLFP-SKDRFNHKSA-N	311.769	1.390	50	20	DDGD	
Cc1cnc([C@@H](NC(=O)c2cccc(B(O)O)c2)C2CC2)s1	584953880	YOQXEZAOPHRAOW-ZDUSSCGKSA-N	316.191	1.012	50	20	DDGD	
C[C@H](CC(=O)O)C(=O)NNC(=O)c1ccc2ccccc2c1	827304068	OJZXVWTZCLRFIK-SNVBAGLBSA-N	300.314	1.712	50	20	DDGD	
Cc1ccc(F)c(CN(C)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	827272455	AGKSEKZJSLGXJB-DGCLKSJQSA-N	323.368	1.732	50	20	DDGD	
OB(O)c1ccc(CNc2ccc(OC3CCC3)c(F)c2)o1	585016804	ZXHAXOPIYOORBB-UHFFFAOYSA-N	305.114	1.642	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@](C)(O)c1cccc(C(F)(F)F)c1	823947240	UZTOOWMLKHZMQO-ZANVPECISA-N	320.311	1.257	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNC(=O)C2CCC2)cc1OC	492275473	UCCRFBHQSJMOFY-CLFYSBASSA-N	304.346	1.665	50	20	DDGD	
O=C(C[C@@H]1CC[C@@H]2C[C@H]12)NNC(=O)[C@H]1COc2ccccc2O1	822192275	HHWMLKMKLKOBDW-OXJKWZBOSA-N	316.357	1.410	50	20	DDGD	
C[C@H](C[C@H](O)c1cccs1)NCc1ccccc1B(O)O	585035588	VMVKZWBIGATCLI-RISCZKNCSA-N	305.208	1.030	50	20	DDGD	
CCN(CCO)NC(=O)CCCOc1ccc(F)cc1F	823852756	OXDDXHIVIQILTR-UHFFFAOYSA-N	302.321	1.469	50	20	DDGD	
C[C@H](C1CC1)n1cc(NCc2ccc(B(O)O)cc2F)cn1	585037110	VQCZGUSVUXAOTG-SNVBAGLBSA-N	303.146	1.285	50	20	DDGD	
CCOCCCN1CCC(=NNC(=O)c2c[nH]nc2C)[C@H](C)C1	735411817	WYAUFSHWXHOFNB-GFCCVEGCSA-N	321.425	1.572	50	20	DDGD	
CC[C@H]1C[C@H](c2nc(-c3ccc(B(O)O)cc3)no2)CCO1	585050750	JLDVLXDCKMYWGN-YPMHNXCESA-N	302.139	1.089	50	20	DDGD	
CSC[C@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	731385208	ILXVGNBFELXPAF-NSHDSACASA-N	324.402	1.298	50	20	DDGD	
OB(O)c1ccccc1CNc1ccc(O[C@@H]2CCOC2)cc1	585011914	GYCNBBVCLQODNM-MRXNPFEDSA-N	313.162	1.146	50	20	DDGD	
CN(CCN1CCCC1=O)C(=O)[C@]1(C)C[C@H]1Br	906663113	FIIUKNSJOYJOLD-BXKDBHETSA-N	303.200	1.241	50	20	DDGD	
CC(C)c1ocnc1C(=O)NNC(=O)Cc1ccccc1F	731992181	BLELRVMLROWRTJ-UHFFFAOYSA-N	305.309	1.941	50	20	DDGD	
O=C(NNc1cccnn1)c1cnnn1-c1ccccc1Cl	736698727	NYPNVPNBBTYWAN-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNc1ccccc1S(C)(=O)=O	732304530	VOWUIJMAMXYWTF-LLVKDONJSA-N	314.407	1.738	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)c3ccc(C4CC4)cc3)nc21	827658190	WKSFMTIQNPRKGT-UHFFFAOYSA-N	324.344	1.703	50	20	DDGD	
C[C@]1(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C[C@H]1Br	906662692	YPHUSCMGSXBHHZ-WZRBSPASSA-N	312.211	1.359	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@@H]1CC1CCCC1	585009308	WJRMEANPEUJVLQ-CQSZACIVSA-N	319.185	1.690	50	20	DDGD	
O=C1CCC(=NNC(=O)NCc2ccc(Cl)cc2)CCN1	834958192	GWPMSOFEJDSGLO-UHFFFAOYSA-N	308.769	1.795	50	20	DDGD	
O=S(=O)(CCl)NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1	831269371	GOSCRRRAZUHIQB-VXGBXAGGSA-N	307.774	1.407	50	20	DDGD	
COC(=O)CCc1ccccc1C(=O)NNC(=O)C1CCCC1	900174123	IBCXKWUHQCTDDO-UHFFFAOYSA-N	318.373	1.743	50	20	DDGD	
CC(C)(NC(=O)O)C(=O)NNC(=O)c1ccc2ccccc2c1	736336532	HDQQQASRQPLBDG-UHFFFAOYSA-N	315.329	1.647	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1C	831588989	PYBWMQQQWOKZID-BXUZGUMPSA-N	319.361	1.775	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NN[C@H](C(=O)O)c1ccccc1F	833118022	DVDPOBZBMNXXLQ-HNNXBMFYSA-N	320.295	1.954	50	20	DDGD	
CSc1ccccc1CC(=O)NNC(=O)[C@@H]1CCCCO1	833242426	KURWBNMSWYAQRB-LBPRGKRZSA-N	308.403	1.668	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@]1(C)CCCCO1	837310877	SAFVEQJHNUDABY-BZNIZROVSA-N	324.352	1.700	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccc(Cl)cn2)c1O	736673631	RVRSSUALGKUSBZ-UHFFFAOYSA-N	321.720	1.524	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@@H]1c1ccccc1)c1ncon1	832826144	RUMFEWGQJWQUAV-VXGBXAGGSA-N	300.318	1.415	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1ccc(-c2nn[nH]n2)cc1F	736587468	WLMGIWRSGQAJSU-FLIBITNWSA-N	316.296	1.066	50	20	DDGD	
Cc1cc(NCc2ccc(B(O)O)cc2F)ccc1CN(C)C	585046700	VLFICTXNDNEWGJ-UHFFFAOYSA-N	316.185	1.488	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCc3cc(F)c(F)c(F)c32)cc1	585044799	UQNMWSDYGLROHQ-ZDUSSCGKSA-N	321.107	1.561	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1oc(SC)cc1C	831575443	KEYJAYUQZJPPOS-UHFFFAOYSA-N	319.477	1.782	50	20	DDGD	
CON1CCC(=NNC(=O)c2cc(-c3cccs3)[nH]n2)CC1	834963270	JWQZBCKQGWZLAE-UHFFFAOYSA-N	319.390	1.881	50	20	DDGD	
CC(C)CCCCC(=O)NNC(=O)CNC(=O)c1ccco1	837384827	QRYGCTMVNREPGL-UHFFFAOYSA-N	309.366	1.373	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1ccnc(Br)c1	913077670	ARYDPAQIIOOHGF-CSKARUKUSA-N	310.151	1.904	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(Oc2ccccc2)nc1	746001721	SRWNBXGZDDETAO-UHFFFAOYSA-N	300.318	1.790	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=C1CCn2ccnc21	834929089	WSDWLBVABAJECH-JTQLQIEISA-N	302.309	1.714	50	20	DDGD	
CN(CCNC(=O)NNC(=O)CC(F)(F)F)c1ccccc1	918062100	IOILDXSAIQQYOW-UHFFFAOYSA-N	318.299	1.406	50	20	DDGD	
CC(=O)NN=Cc1cc(Br)ccc1OCC(=O)O	915936579	TXSYTFFCYLPVEN-UHFFFAOYSA-N	315.123	1.383	50	20	DDGD	
COc1cc(C=NNC(=O)NC(C)C)cc(OC)c1OC(C)=O	745009385	NRWNCNVLOHHRMJ-UHFFFAOYSA-N	323.349	1.671	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)NNc2cc(Cl)nc(C)n2)C1	748339401	SMODLSODXLYICK-ZDUSSCGKSA-N	311.773	1.140	50	20	DDGD	
CCn1ccc(CC(=O)NNc2ccnc(Br)c2)n1	845951198	SCJXAYSDWCDFET-UHFFFAOYSA-N	324.182	1.746	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)[C@H]1COc2ccccc2O1	916292358	YBQXWJITLSCVFB-OAHLLOKOSA-N	314.345	1.327	50	20	DDGD	
CC(C)(CNC(=O)NNc1ccc(Cl)nc1)S(C)(=O)=O	748967585	PXPBCALMWUVPOS-UHFFFAOYSA-N	320.802	1.184	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1ccccc1Cn1ccnc1	916230876	PPOWGYBIFUQXHY-UHFFFAOYSA-N	315.377	1.418	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CN2CCSC2=O)cc1	846370956	UEXSIRKQSALDLM-UHFFFAOYSA-N	323.374	1.014	50	20	DDGD	
COc1ccc(-c2ccc(C=NNC(N)=O)o2)c([N+](=O)[O-])c1	916247843	JKSGDCUNSUHYQG-UHFFFAOYSA-N	304.262	1.866	50	20	DDGD	
CC(=NNC(=O)c1cccnc1)c1ccc(-n2cncn2)cc1	917208174	CICGZEJWVLYSII-UHFFFAOYSA-N	306.329	1.816	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)[C@H](O)c1cccnc1	749281255	PEDHZLSHVOXPNG-GFCCVEGCSA-N	309.272	1.860	50	20	DDGD	
COC1(OC)CCOC[C@@H]1NC(=O)[C@@]1(C)C[C@H]1Br	912842306	YUKKSZIAHBCYNA-YWVKMMECSA-N	322.199	1.054	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1	846643380	NRQZRKDJCVTSFU-LLVKDONJSA-N	323.368	1.782	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1ccc[nH]1)N1CCc2ccccc21	847297861	NEMVFICLSRLKFT-GFCCVEGCSA-N	312.373	1.617	50	20	DDGD	
COCCn1cc(C=NNC(=O)c2ccccc2OC)cn1	743441392	HUXNNQRPDGWSJO-UHFFFAOYSA-N	302.334	1.302	50	20	DDGD	
CCN(CC)c1ncc(C=NNC(=O)[C@H]2CCO[C@H]2C)s1	842552608	BMQOHINUWZPDBG-JQWIXIFHSA-N	310.423	1.864	50	20	DDGD	
CO[C@@H](C=NNC(=O)Cn1cnc2ccccc21)[C@H]1CCOC1	841608704	HAAQIJVPGRZVSQ-WFASDCNBSA-N	316.361	1.190	50	20	DDGD	
CO[C@]1(C)C[C@H](NC(=O)NNC(=O)CC(F)(F)F)C1(C)C	745935402	LYPMMZDHTISHDL-WRWORJQWSA-N	311.304	1.473	50	20	DDGD	
CN(C)CCCNC(=S)NNC(=O)c1cc2ccccc2o1	749834193	UJGOUGWHFIMEGT-UHFFFAOYSA-N	320.418	1.493	50	20	DDGD	
CC1(C)[C@@H]2CN(CC(=O)NNC(=O)c3cccc(Cl)c3)C[C@H]21	741807745	LCZUVAFRJLGAGP-CHWSQXEVSA-N	321.808	1.689	50	20	DDGD	
CC(C)(C)c1ccccc1S(=O)(=O)NNC(=O)c1ccc[nH]1	742025758	JKLAHIKPCNRXBC-UHFFFAOYSA-N	321.402	1.936	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)CCN2CCCCCC2)c2ncnn21	841611068	PVRHWJCBCUGDDX-GFCCVEGCSA-N	304.398	1.329	50	20	DDGD	
CCS[C@@H]1CC[C@@H](N(C)CC(=O)NNC(=O)C(C)(C)C)C1	744423511	IHLAUPRCWGZLJL-VXGBXAGGSA-N	315.483	1.786	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc2cccnc2s1	843659110	IAZLKEHGMDGAHB-PSASIEDQSA-N	305.359	1.482	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H](CN)CC(C)C)cc1	841955130	YZEZAXLIXCXOET-AWEZNQCLSA-N	306.410	1.566	50	20	DDGD	
CSc1ccsc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843650432	CGBXXOCXWKNNNH-YUMQZZPRSA-N	300.405	1.656	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)CC(C)(C)C)C(=O)OC(C)(C)C	847427016	PVRREOUNJJAQGT-JTQLQIEISA-N	315.414	1.731	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)ccc1C	843654943	KNULLNOUVOQRQA-DGCLKSJQSA-N	304.346	1.384	50	20	DDGD	
CN(C)C(=O)[C@H]1CCN(C(=O)[C@H](Br)C(C)(C)C)C1	840509814	QSGNDCGKJQOGGA-UWVGGRQHSA-N	319.243	1.733	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)C[C@@H]1SC(=N)NC1=O	928340643	XXPBRPCIPGVOGX-VIFPVBQESA-N	312.782	1.648	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)CCOC1	754007155	IOLYLXHFMLVSNH-XPSVCEGCSA-N	306.406	1.777	50	20	DDGD	
CCOC(=O)NCCCC(=O)NC[C@@]1(C)C[C@@H]1Br	857393780	MYSQKOCWNGAJJN-JOYOIKCWSA-N	321.215	1.802	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)[C@@H]1CCc2ncncc2C1	857359110	RILNBSAWAIKPPA-MRVPVSSYSA-N	304.741	1.168	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2	854929262	CSCKKGSQMHBNIP-ZETCQYMHSA-N	324.431	1.200	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H](C)Sc2nncn2C)cc1F	856230987	KACJFIUUONMVBD-VIFPVBQESA-N	309.370	1.887	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)ccc1C	857263826	CZYPLQDUTNYQET-ZLKJLUDKSA-N	316.357	1.840	50	20	DDGD	
Cc1nn(C)c(C)c1CC(=O)NC[C@@]1(C)C[C@@H]1Br	857402758	KWJUKBNPRMLUCT-WCQYABFASA-N	314.227	1.869	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1cccc2c1OCCO2	756149275	BVHWLMMYJXXMGK-UHFFFAOYSA-N	314.301	1.319	50	20	DDGD	
CN(C)C(=O)N1CCC(NC[C@@]2(C)C[C@H]2Br)CC1	856808565	AODWNKVTHSSTSC-DGCLKSJQSA-N	318.259	1.896	50	20	DDGD	
COC[C@H](NCC(=O)NNC(=O)C(C)(C)C)c1ccc(C)o1	754349365	WPZBUCHWLQRIQV-NSHDSACASA-N	311.382	1.059	50	20	DDGD	
CCC(O)(CC)CCNC(=O)NNC(=O)c1cccc(F)n1	852274248	NXURMGOKOLXTTI-UHFFFAOYSA-N	312.345	1.106	50	20	DDGD	
C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(B(O)O)cc1	928379452	IWAGTYCBJWYNQG-KBXCAEBGSA-N	323.201	1.775	50	20	DDGD	
COC(=O)C[C@@H]1CCCCN1CCI	759364086	WTGOVZOADFDAAH-VIFPVBQESA-N	311.163	1.839	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)Cn1nc(C)cc1C)c1cccs1	856755636	WNIJQRLYSOVLAN-JXMROGBWSA-N	318.402	1.812	50	20	DDGD	
C[C@@]1(CNC(=O)NCCCn2ccnc2)C[C@@H]1Br	856717915	HHSQVDNVJPXLSD-JQWIXIFHSA-N	315.215	1.746	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)C1CC1)c1cc(C)ccc1C	859936028	GKAQKDCVKUCYIE-OAHLLOKOSA-N	303.406	1.902	50	20	DDGD	
COc1ccc([C@@H](C)CC(=O)NNC(=O)c2cc[nH]n2)cc1	855357416	IVQAXYUJDALJDQ-JTQLQIEISA-N	302.334	1.373	50	20	DDGD	
Cn1cc(CCC(=O)NC[C@]2(C)C[C@H]2Br)cn1	857397912	JMSPKAWPYLQFEW-PWSUYJOCSA-N	300.200	1.642	50	20	DDGD	
O=C(CC[C@H]1CC1(Cl)Cl)NNc1ncnc2[nH]cnc12	857130698	UFWPGXUWQBQANK-LURJTMIESA-N	315.164	1.770	50	20	DDGD	
CCC(=NNC(=O)COc1ccc(C#N)cc1)c1nccn1C	755511340	PTDMHVXCAYIMRX-UHFFFAOYSA-N	311.345	1.601	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(-c3ccccn3)no2)nc(C)n1	751067157	TWISAKDOGGKHLO-UHFFFAOYSA-N	310.317	1.900	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1nnc(CCCC)s1	929251483	CEGSNNQTSVDKCV-UHFFFAOYSA-N	309.395	1.837	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(=O)Nc2ccccn2)sc1C	758831085	OOYRFXJJEDDBDN-UHFFFAOYSA-N	318.358	1.160	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=O)CC2CCCC2)C1	857853314	BUNPEYGUDJZVEU-GWCFXTLKSA-N	304.394	1.803	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc(Cl)c(Br)c1	753288322	QFMXRBAKENUHNV-UHFFFAOYSA-N	306.547	1.676	50	20	DDGD	
CN(Cc1cnc[nH]1)C(=O)NNC(=O)CCOc1ccccc1	852029538	LVLVQFPOCUSLSE-UHFFFAOYSA-N	317.349	1.051	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C=NNC(=O)[C@H]1CCOC1	853339105	WYIJTDZBFYSAME-RWMBFGLXSA-N	306.366	1.026	50	20	DDGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cn(CC(=O)O)nn1	759077692	VMXVYFJYZSIWRM-RUDMXATFSA-N	302.315	1.523	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NC[C@]1(C)C[C@H]1Br	857404153	SCJXJCMFHBVGQU-PWSUYJOCSA-N	300.200	1.859	50	20	DDGD	
C[C@]1(CNC(=O)NCC[C@@H]2CCNC2)C[C@H]1Br	857103694	MMJLAVNZDMJQTO-HOSYDEDBSA-N	304.232	1.459	50	20	DDGD	
CNC(=S)N(C)NC(=O)C(C)(C)COCc1ccccc1	854920443	CHUMTQSNZVIIFX-UHFFFAOYSA-N	309.435	1.697	50	20	DDGD	
C[C@@H]1CN(C)CC1=NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	752166029	PAXBFRGFEBAEJD-SNVBAGLBSA-N	324.406	1.149	50	20	DDGD	
CC(C[C@@H]1CCOC1)=NNC(=O)[C@H]1COc2ccccc2O1	751517426	WNNOAPJXJMBGFY-SWLSCSKDSA-N	304.346	1.745	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CCO[C@H](C(C)C)C2)nc1	935108455	VGNVQPKWVZDKPX-AAEUAGOBSA-N	321.377	1.763	50	20	DDGD	
COCCOCC(=O)NNC(=S)Nc1cccc(Cl)c1	865244974	WZTGQPDUVFJSCB-UHFFFAOYSA-N	317.798	1.321	50	20	DDGD	
COC[C@@H](C)n1ccc(NC(=O)NNc2cccc(C)n2)n1	860981440	LHTKWHPBLNBCCX-LLVKDONJSA-N	304.354	1.943	50	20	DDGD	
CS(=O)(=O)/C(C#N)=C\c1ccc(C(=O)N2CCCC2)cc1	865216823	HVKTUXPSLCHDOL-UVTDQMKNSA-N	304.371	1.832	50	20	DDGD	
COCCOCC(=O)NNC(=S)Nc1ccccc1Cl	865244935	VYJBQICRBNJNHI-UHFFFAOYSA-N	317.798	1.321	50	20	DDGD	
O=C(NNc1ccc(F)c(Cl)c1)C1(CO)CCOCC1	863082882	UHMROYDYEZXUPF-UHFFFAOYSA-N	302.733	1.711	50	20	DDGD	
CCCc1c(C(=O)NN(C)C(N)=O)cnn1-c1ccc(C)cc1	760482948	FWVVEPCDJFQHSB-UHFFFAOYSA-N	315.377	1.789	50	20	DDGD	
Cc1nn(CC(=O)OC(C)C)c(C)c1C=NNC(=O)C(C)(C)C	768361459	RBDOFCVQHJSUHO-UHFFFAOYSA-N	322.409	1.948	50	20	DDGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1cn(C2CC2)nn1	863883572	FXWSZDQNLGBMOU-UHFFFAOYSA-N	312.255	1.784	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2cc(C)sn2)c1	767414778	IUQPXGSPQPYCGF-UHFFFAOYSA-N	305.359	1.600	50	20	DDGD	
Cc1csc(C(=O)NNS(=O)(=O)N2CCCCC2)c1	863414428	WCPVKEKAESVKMB-UHFFFAOYSA-N	303.409	1.022	50	20	DDGD	
Cc1ccccc1C[C@H](C)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	862095375	KEQDXYNJOFTSGJ-GZBFAFLISA-N	304.390	1.746	50	20	DDGD	
CCOC(=O)N1CSC[C@@H]1C(=O)NNc1ccc(C#N)cc1	935020812	JUJPPRKAQAGJMW-GFCCVEGCSA-N	320.374	1.533	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)C2(C(=O)NC3CC3)CC2)c1	768702203	BCCQPDIDJMDCMT-UHFFFAOYSA-N	319.752	1.109	50	20	DDGD	
C[C@H](NNC(=O)[C@]1(c2ccccc2)CNC(=O)C1)C(F)(F)F	862319869	LWYPYVQADGBSLI-ZANVPECISA-N	315.295	1.016	50	20	DDGD	
CC(=O)N1CCc2cc(C(=O)NN[C@H](C)C(F)(F)F)ccc21	862306229	GTGLDSRDZSJJFC-MRVPVSSYSA-N	315.295	1.781	50	20	DDGD	
Cc1ccnn1-c1ccccc1NCc1ccc(B(O)O)cc1	864034119	WFNZJRGPQUYJAS-UHFFFAOYSA-N	307.162	1.473	50	20	DDGD	
CN1CCC[C@@H](OC(=O)[C@H](Br)C(C)(C)C)C1=O	766752740	SXOYCDMMVMJECA-BDAKNGLRSA-N	306.200	1.960	50	20	DDGD	
COc1cccc(NNC(=O)CNC(=O)c2ccc(C)s2)n1	1116516979	JPIKZKUSYONTBT-UHFFFAOYSA-N	320.374	1.333	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)/C=C\C1CCOCC1	766661349	AXVBJSUXYNPHND-SREVYHEPSA-N	324.402	1.516	50	20	DDGD	
COc1cc(C(=O)NNc2cccc(S(C)(=O)=O)c2)ccn1	1116492119	UBHZVCWVDSMIEK-UHFFFAOYSA-N	321.358	1.251	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	879174849	IGRBCQWFCBDWMP-OFQRWUPVSA-N	302.374	1.500	50	20	DDGD	
N#C/C=C\CN1c2ccccc2N(C/C=C/C#N)S1(=O)=O	763303258	IHIVYOXQWVEFRX-CIIODKQPSA-N	300.343	1.717	50	20	DDGD	
COCc1ccc(C=NNC(=O)c2cc([N+](=O)[O-])ccc2O)o1	764700288	XTNRVPCARBZZHQ-UHFFFAOYSA-N	319.273	1.804	50	20	DDGD	
O=Cc1ccc(C(=O)NNC(=O)CSc2ccccc2O)[nH]1	765248789	UXUHRMDJULDFTK-UHFFFAOYSA-N	319.342	1.086	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CCc2nnc(C)o2)c1	873777224	ZVUFQGDPUYKXDO-UHFFFAOYSA-N	319.390	1.637	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)c1nnc(-c2ccccc2)o1	770601403	HZLKPOZVDFDKEO-UHFFFAOYSA-N	324.344	1.796	50	20	DDGD	
COc1ccnc(C(=O)NNC(=O)c2ccccc2Cl)c1	1118273792	ANIGXRFNPOWOMB-UHFFFAOYSA-N	305.721	1.818	50	20	DDGD	
COC(=O)C(=O)NN=Cc1csc(-c2ccc(OC)cc2)n1	1116195621	LGTBVMONFKDQCG-UHFFFAOYSA-N	319.342	1.442	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNc1ccc(-c2ccccc2)nn1	879118885	SHZWFGSREBVXNG-ZDUSSCGKSA-N	313.361	1.501	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)Nc2cccnc2)C[C@@H]1Br	1118809956	PIWCFAUXYPTEQP-CABZTGNLSA-N	312.167	1.310	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNc1ncccc1C(F)(F)F	878916137	GWTFVBLDTYDGNT-VIFPVBQESA-N	304.272	1.458	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1	775191185	DVTYYABTUXEQOZ-ZJUUUORDSA-N	308.338	1.191	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)CC(F)(F)F)c1F	771272175	URWOXHSDYUEOAO-UHFFFAOYSA-N	309.219	1.939	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=S)Nc1ccccc1OC	873768177	XKSPXMUXLVVHKU-LLVKDONJSA-N	323.418	1.994	50	20	DDGD	
O=C(NNC(=O)c1nc2ccccc2s1)NC(CF)CF	873028461	MXSHHTZFGVDPBF-UHFFFAOYSA-N	314.317	1.548	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C2CCOCC2)cnc1Cl	878900807	JOJSYKJQFCODPM-UHFFFAOYSA-N	312.757	1.623	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1c(F)cccc1Cl	771892836	ZLJXJCBKNRLNKS-ZETCQYMHSA-N	316.716	1.582	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H]1CCc2n[nH]cc2C1	772865850	BLMMBHXGEFROQW-JTQLQIEISA-N	300.366	1.571	50	20	DDGD	
COC(=O)CSCCC(=O)NNc1nccnc1C(C)C	772876685	JJTWRWOBGOUUFE-UHFFFAOYSA-N	312.395	1.339	50	20	DDGD	
O=C(CO)NN=Cc1cc(Cl)ccc1OCc1cccnc1	776776344	HDPAURDLIFBOHV-UHFFFAOYSA-N	319.748	1.756	50	20	DDGD	
COc1cc(C)c(NC(=O)NNC(=O)c2c[nH]nc2C)cc1F	775894954	LCSBTOYSQWBKHZ-UHFFFAOYSA-N	321.312	1.641	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)COc1cc(C)cc(C)c1)C(C)C	770211848	KYQLQAGTANLHQG-OAHLLOKOSA-N	308.378	1.501	50	20	DDGD	
CC(=O)N1C[C@@H](C(=O)NNc2ccccn2)Oc2ccccc21	777472493	MIRYBHDNQMLLRP-AWEZNQCLSA-N	312.329	1.339	50	20	DDGD	
Cc1cccc2c1OC[C@H](NS(=O)(=O)CCCCl)C2	882211425	VXZFFMTWCDNBAM-GFCCVEGCSA-N	303.811	1.847	50	20	DDGD	
COC[C@H](C)CC(=O)NNc1ccnc(Br)c1	771537018	DNYHGZLCHSPWPH-MRVPVSSYSA-N	302.172	1.960	50	20	DDGD	
Cn1cc([C@H]2C[C@H](NS(=O)(=O)CCCCl)CCO2)cn1	882331365	BZCCSCGOTVIBJM-VXGBXAGGSA-N	321.830	1.189	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1ccn(C)c1	772970100	AETZWSAJFWLFLO-SNVBAGLBSA-N	321.764	1.907	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@@H]1COc2ccccc2O1	887149348	STVCXNRIFGRHEU-GFCCVEGCSA-N	302.330	1.167	50	20	DDGD	
CC[C@](C)(NCC(=O)NNC(=O)c1cccs1)C(F)(F)F	777615474	BBMCLAMLUJCPIY-NSHDSACASA-N	323.340	1.830	50	20	DDGD	
O=C(C[C@@H]1C=CS(=O)(=O)C1)NNc1c(F)cc(F)cc1F	885150748	ILBXCAUJCNJVDR-ZETCQYMHSA-N	320.292	1.495	50	20	DDGD	
CCCOc1cccc(CC(=O)NNC(=O)c2cccnn2)c1	882057389	ATHOSGNTVVYAOB-UHFFFAOYSA-N	314.345	1.269	50	20	DDGD	
COCCn1ccc(C(=O)NNc2ccc(F)c(F)c2F)n1	784447536	ZCGXIGWVVNXCJO-UHFFFAOYSA-N	314.267	1.704	50	20	DDGD	
C=C[C@@H]1CCCCN1CC(=O)NNC(=O)Cc1nc(C)cs1	785996297	CUVZVZLIHKWXQA-GFCCVEGCSA-N	322.434	1.182	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CC[C@](C)(c2ccccc2)C1	780242522	FODJKQLSMJWPFE-INIZCTEOSA-N	303.362	1.956	50	20	DDGD	
O=C(CN1CCCC1=O)NNC(=O)c1csc2c1CCCC2	789856639	IWDPZVPEDGBEFY-UHFFFAOYSA-N	321.402	1.010	50	20	DDGD	
CN(CCCN(C)S(=O)(=O)CCCCl)Cc1ccco1	882193721	NEHVUKVJSSNDCW-UHFFFAOYSA-N	322.858	1.992	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2cc(N3CCOCC3)ccn2)c1	784446835	OARLAEDTWLSHEU-UHFFFAOYSA-N	323.356	1.547	50	20	DDGD	
COc1ccccc1CNC(=O)COC(=O)/C(C#N)=C\C1CC1	786682090	ZMEZMSAMQLKWOO-ZSOIEALJSA-N	314.341	1.715	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc(-n2cccn2)c1	785844465	NRZMTQDDXRIFBT-UHFFFAOYSA-N	302.338	1.570	50	20	DDGD	
CC(C)[C@H](F)C(=O)NNC(=O)CSc1ccccc1O	784458200	AOFAGIRKUAPCOX-LBPRGKRZSA-N	300.355	1.626	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccc3cncn3c2)c1	786090313	WGJAECDRFVSLBN-UHFFFAOYSA-N	305.297	1.281	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)nc1	899660909	DEGMQMUXSFUJED-GOGUNFLPSA-N	306.369	1.790	50	20	DDGD	
COCC[C@@H](NC(=O)NNC(=O)CC(F)(F)F)c1ccco1	780882284	FFBNXPAWFKSKBY-MRVPVSSYSA-N	323.271	1.640	50	20	DDGD	
CCOC(=O)[C@@H](Cc1ccccc1)NNC(=O)c1ccccn1	783573038	PGBZMPICRQZVSA-OAHLLOKOSA-N	313.357	1.490	50	20	DDGD	
C[C@H](Cc1cccnc1)NC(=O)NNC(=O)CC(F)(F)F	898341002	WPGJTXWUBIHHHS-MRVPVSSYSA-N	304.272	1.295	50	20	DDGD	
CO[C@]1(C)CCCN([C@@H](C)C(=O)NNC(=O)CC(C)C)CC1	796507850	FQTHYONECHLGBR-XJKSGUPXSA-N	313.442	1.459	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cccnc1F	791196786	XRVGQYFUNYUELI-SECBINFHSA-N	321.283	1.588	50	20	DDGD	
C[S@](=O)c1ccc(CC(=O)NNc2nccnc2Cl)cc1	798110638	NNIXHVBCZHLTNX-NRFANRHFSA-N	324.793	1.553	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CC[C@@H](C)C[C@@H]1n1cncn1	794519156	JTPTWZRTACUGDD-BZPMIXESSA-N	323.397	1.163	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ncccc2C)c(F)c1	792377742	BVMFDLJAHVTNCE-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
CCCNC(=O)NNC(=O)CCCC(=O)c1cccc(OC)c1	794250013	UWMXXVKWMHRSOW-UHFFFAOYSA-N	321.377	1.789	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C(F)F	791441497	CHPSXDWWNXCOQM-UHFFFAOYSA-N	301.249	1.647	50	20	DDGD	
N#Cc1cccc(-n2ccc(C(=O)NNC(=O)c3ccc[nH]3)n2)c1	798842674	FAUWEYDASOHROO-UHFFFAOYSA-N	320.312	1.147	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNc1cccc(F)c1[N+](=O)[O-]	791067442	TWWRYBLUFMYWTO-UHFFFAOYSA-N	307.285	1.841	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNc2cccc(F)c2[N+](=O)[O-])C1	790588496	FNMAVKLSKSYKMP-SECBINFHSA-N	324.312	1.436	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1ccnn1CC(F)F	790490476	OIKWZVMOGPPKDO-UHFFFAOYSA-N	323.303	1.021	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@H](C)c1ccc(OC(C)C)cc1	1318942032	MLSIRTLYQWFJQQ-SNVBAGLBSA-N	323.349	1.038	50	20	DDGD	
O=C(CCl)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1	1319785727	KOSPIBOUKFAGHH-UHFFFAOYSA-N	305.765	1.691	50	20	DDGD	
O=C(Nc1cccc(F)c1)[C@@H]1CSCN1C(=O)CCl	1319681433	AJZHTTZURVIVMJ-JTQLQIEISA-N	302.758	1.905	50	20	DDGD	
Cn1ccc(NNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)n1	1320948203	CKFHNBUWXMBGCA-UHFFFAOYSA-N	300.278	1.567	50	20	DDGD	
COCC1(O)CN(C(=O)CCCC[C@@H]2CCSS2)C1	1328052394	WCVJJANULLOTAI-LLVKDONJSA-N	305.465	1.920	50	20	DDGD	
O=C(NN=Cc1ccc2c(c1)CCC2)[C@@H]1CCS(=O)(=O)C1	1329989839	KHQJAZVHTIMOOL-CQSZACIVSA-N	306.387	1.060	50	20	DDGD	
CC(C)Oc1ccc(NC(=O)NNC(=O)CCO)c(Cl)c1	1326003185	CWJXKQWGIAAXOT-UHFFFAOYSA-N	315.757	1.662	50	20	DDGD	
CC(C[C@@H]1CCCC(=O)N1)=NNC(=O)c1n[nH]c2c1CCCC2	1327459663	FJJGKHXNEWCXIV-NSHDSACASA-N	317.393	1.453	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1ccc(C2=S=CC=C2)cc1	1339878904	IBHZXFKFSZUIEA-UHFFFAOYSA-N	302.355	1.326	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1cc(C)ccc1Cl	1337111450	PRDRRAHDVBXZIM-UHFFFAOYSA-N	321.764	1.538	50	20	DDGD	
CCOC(=O)[C@@H](NS(=O)(=O)CC(C)(C)CCl)C1CC1	1330367460	USTUEAOCFGMYDE-JTQLQIEISA-N	311.831	1.513	50	20	DDGD	
CC1=NO[C@@](C)(C(=O)NNC(=O)c2cccc3cccnc23)C1	1337044671	QKAUTCINEZVCSQ-MRXNPFEDSA-N	312.329	1.551	50	20	DDGD	
C[C@]1(CNC(=O)N2C[C@@H]3CCNC[C@@H]3C2)C[C@H]1Br	1336909086	XBNKYRIRSCYMPE-SBFPOUOMSA-N	316.243	1.411	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@]1(C)CC(C)=NO1	1336772013	HLSDJZKFZGMPPG-CQSZACIVSA-N	322.390	1.568	50	20	DDGD	
CCc1ncncc1C(=O)NNC(=O)c1ccc(OC)cc1	1337463603	SJOHBRIXEPMPOS-UHFFFAOYSA-N	300.318	1.122	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccns2)c1C	1335397956	RDVFOWUNFKVBOG-NSHDSACASA-N	319.386	1.988	50	20	DDGD	
O=C(NN=C1CCN(c2ccccn2)CC1)C1CCOCC1	1333665049	QBQXLJYDECGKAY-UHFFFAOYSA-N	302.378	1.581	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)N[C@H](C)c1nnnn1C	1346641055	UOVNWVFQTLLWCN-SNVBAGLBSA-N	303.370	1.468	50	20	DDGD	
COC(=O)[C@@H](C)n1cccc1C=NNC(=O)C1CCOCC1	1349840352	WHEXXCAJULGNGA-LLVKDONJSA-N	307.350	1.099	50	20	DDGD	
CCc1ncoc1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	1262567709	ATUCGJQPFUBKCE-VIFPVBQESA-N	321.308	1.605	50	20	DDGD	
CCn1ccc(CC(=O)NNc2cncc(Br)c2)n1	1261511955	YFKNCNJJCWRBAU-UHFFFAOYSA-N	324.182	1.746	50	20	DDGD	
O=C(NNc1cccc(F)c1)C(=O)Nc1ccnn1C1CCC1	1354233435	AECTWOYXSMNYEA-UHFFFAOYSA-N	317.324	1.829	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NNc1nc(O)c2ccccc2n1	1353626756	ZOSCXSQYRWDUQU-GFCCVEGCSA-N	315.377	1.651	50	20	DDGD	
CC(C)(CCNC(=O)NNc1ccc(Cl)cn1)C(=O)O	1602942692	DKSDSAGDCLIZCO-UHFFFAOYSA-N	300.746	1.862	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1ccc(OC(F)F)nc1	1605820982	PPDVHWKHZILCMX-UHFFFAOYSA-N	324.243	1.533	50	20	DDGD	
CCOCCOCCNC(=O)NNc1cccc(C(=O)O)c1	1605639381	LTUHLVLNLCTGBQ-UHFFFAOYSA-N	311.338	1.064	50	20	DDGD	
O=C(Cc1cccc(C(=O)O)c1)NNc1ncncc1Cl	1601364380	AYSLCPYCKMIVKS-UHFFFAOYSA-N	306.709	1.514	50	20	DDGD	
O=C(O)/C=C/c1ccc(C(=O)NNc2ncc(F)cc2F)o1	1608658363	SYAYBJIZFGGRAJ-DUXPYHPUSA-N	309.228	1.808	50	20	DDGD	
Cc1c(NNC(=O)[C@@H](C)Cc2cnc[nH]2)cccc1C(=O)O	1600050301	CDNPSRYTUNRQGR-VIFPVBQESA-N	302.334	1.738	50	20	DDGD	
O=C(NCCc1cccs1)NN=Cc1cc(C(=O)O)no1	1601512822	CHPBLQVNHPTCSW-UHFFFAOYSA-N	308.319	1.310	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1	1601555609	KQNRERBJUFQWHX-OLBFVZFUSA-N	321.308	1.023	50	20	DDGD	
O=C(CCC(=O)c1ccccn1)NNc1ccccc1C(=O)O	1610655035	WRLQNNZYIKLVRN-UHFFFAOYSA-N	313.313	1.886	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2cc(C(=O)O)cs2)n1	1610518764	WFJXFOGAZRZHGF-UHFFFAOYSA-N	320.330	1.616	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)CCn1cccc1	1610287095	BTTGUFDXTWKJFF-UHFFFAOYSA-N	303.318	1.728	50	20	DDGD	
O=C(CCOc1ccccc1)NN=Cc1ccc(C(=O)O)o1	1610657778	BEENEDVSDGUDIM-UHFFFAOYSA-N	302.286	1.897	50	20	DDGD	
O=C(O)CNC(=O)NN=C1CCSc2c(Cl)cccc21	1610783190	IZZMVIMTXUTLHV-UHFFFAOYSA-N	313.766	1.924	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)C1CC(F)(F)C1	1549684465	AXWLZSJKTXNDKA-RYUDHWBXSA-N	301.337	1.387	50	20	DDGD	
O=C(O)/C=C/c1cc(C(=O)NNC(=O)Nc2ccccc2)co1	1574666308	VQNUCRSATBUFLL-VOTSOKGWSA-N	315.285	1.844	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H]1CCCC[C@H]1N	1579309488	FHAPDBOZAPEOGP-GHMZBOCLSA-N	322.434	1.530	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc2cc(N)ccc2s1	1579974822	SKSGXLDGKSVUFV-UHFFFAOYSA-N	314.370	1.897	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CCCCCN)c(OC)c1	1579228649	YUKBAAYBFBRXRA-UHFFFAOYSA-N	324.381	1.376	50	20	DDGD	
Nc1ncc(C(=O)NNC(=O)c2ccc3ccccc3n2)s1	1580471574	MMCXESCDLNIDSC-UHFFFAOYSA-N	313.342	1.348	50	20	DDGD	
C[C@@H]1CCC[C@@H]1CNC(=O)NNc1cccc(-c2nn[nH]n2)c1	1590249470	QNAAHOWSFYFPPA-ZYHUDNBSSA-N	315.381	1.929	50	20	DDGD	
Cc1[nH]c(C=O)cc1C(=O)NNc1ccc(F)c(C(=O)O)c1	1599960814	XRPYLHNMVGYGIN-UHFFFAOYSA-N	305.265	1.730	50	20	DDGD	
COc1ccccc1NNC(=O)Nc1cc(C(=O)O)ccn1	1594145891	BFZXMQUMQXWFOO-UHFFFAOYSA-N	302.290	1.937	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H](C(=O)O)C1CCCC1	1593888531	CMUWEZYCSSLPKL-CYBMUJFWSA-N	320.345	1.807	50	20	DDGD	
CSSCCNC(=O)c1cc(-c2nn[nH]n2)ccc1C	1591701661	DHRMTSHPYILFQG-UHFFFAOYSA-N	309.420	1.916	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1cccc2c1OCCO2	1595262092	PZRQKBKOIKGHAD-UHFFFAOYSA-N	315.285	1.308	50	20	DDGD	
CCON1CCC(CC(=O)NNc2cccc(C(=O)O)c2)CC1	1596969221	WYWRJKLVKDZNMX-UHFFFAOYSA-N	321.377	1.882	50	20	DDGD	
CC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COC	1795599611	CHEISOQBSXECRC-WRWGMCAJSA-N	302.802	1.288	50	20	DDGD	
CCN(CC)CCCNC(=O)NNC(=O)CCc1ccccc1	158444791	MKEBAHDLDHMZCQ-UHFFFAOYSA-N	320.437	1.682	50	20	DDGD	
C[C@@H]1CC[C@H](CC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1	164225997	HMFXHEYSURGMKG-XUJVJEKNSA-N	318.373	1.800	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CC[C@@H](Oc2ccncc2)C1	156129304	YDDBJWHJYGKAHE-GFCCVEGCSA-N	306.366	1.322	50	20	DDGD	
O=C(Cc1ccc(O)cc1)NNC(=O)Cc1ccc(F)cc1	154060469	YWQYJVXERLIOAK-UHFFFAOYSA-N	302.305	1.464	50	20	DDGD	
Cc1ccc2cc(C(=O)NNc3ccc(C(N)=O)nn3)[nH]c2c1	154304134	TURJGYRBKBKNMV-UHFFFAOYSA-N	310.317	1.122	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	154874724	LLKJWSFUOQDTFW-GFCCVEGCSA-N	321.352	1.727	50	20	DDGD	
O=S(=O)(c1ccc(CCl)cc1)N1CC[C@@](F)(CO)C1	915336168	GGVGSRAVWAZMNZ-LBPRGKRZSA-N	307.774	1.520	50	20	DDGD	
CS(=O)(=O)C[C@H]1CCN(C[C@@H](CBr)C2CC2)C1	859313123	IMIWHZNECIBAIC-CMPLNLGQSA-N	324.284	1.774	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)CN(C)C1CCC1	863933569	KFPKDUUFXQLDMF-UHFFFAOYSA-N	305.378	1.771	50	20	DDGD	
O=C(Nc1ccc(CNS(=O)(=O)CCl)cc1)C1CC1	104338198	ZFRFKIKTGHTSNZ-UHFFFAOYSA-N	302.783	1.651	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)Cc2cccnc2)c1	103456849	XCRUSGYGHCSWBV-UHFFFAOYSA-N	313.357	1.413	50	20	DDGD	
CCn1cc(NC(=O)NNC(=O)CCc2ccccc2O)cn1	106251965	KJKCSKJZBSJKMA-UHFFFAOYSA-N	317.349	1.394	50	20	DDGD	
CCCCC(=O)NNC(=O)C1CCN(c2ncccn2)CC1	103420572	LXJXLOLIVQAVJO-UHFFFAOYSA-N	305.382	1.031	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)COC2CCCC2)c1O	54144042	LMAWPFBLQYWDJG-UHFFFAOYSA-N	308.334	1.121	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CNc1ccccc1)N1CCCCCC1	175103383	CQPANACIQZUMPT-AWEZNQCLSA-N	318.421	1.510	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@H](C)C[C@@H](C)O	175136767	XFJKZZNSJMHZOC-NXEZZACHSA-N	301.818	1.876	50	20	DDGD	
CCNC(=O)CCC(=O)NNC(=O)[C@H](CC)c1ccccc1	110964091	UIBFBUHDLAYCFB-CYBMUJFWSA-N	305.378	1.244	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H](Cc1ccccc1)C(C)C	119862806	IPSFZSHGQTXBGK-OAHLLOKOSA-N	321.421	1.868	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)Nc1ccncc1	176990441	CTWVRCRBEDWZHS-UHFFFAOYSA-N	310.317	1.125	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)COc1cccc(C)c1	66307363	UTXDYCNQMFMFCW-ZDUSSCGKSA-N	306.362	1.502	50	20	DDGD	
COc1ccnc(NNC(=O)C[C@@H]2OCCc3ccccc32)n1	115330395	MRDZSWJGBDGOMQ-ZDUSSCGKSA-N	314.345	1.632	50	20	DDGD	
CC(=O)Nc1ccc(F)c(C(=O)NNC(=O)OC(C)(C)C)c1	65042713	CUCCJEQRLWDMLY-UHFFFAOYSA-N	311.313	1.954	50	20	DDGD	
C=C[C@@](C)(CCOC)C(=O)NNC(=S)Nc1ccccn1	1352273558	ZIPKXWMVLFNTRO-AWEZNQCLSA-N	308.407	1.628	50	20	DDGD	
O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNc1ccccc1	120489550	AMIYEGDVMUUSMD-STQMWFEESA-N	301.346	1.305	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2)N(C)C	126326627	SNXBTWIHUHAMQL-ZYHUDNBSSA-N	323.462	1.974	50	20	DDGD	
O=C(Cc1c[nH]c2ncccc12)NNc1nnc(C2CC2)s1	184469604	KXLYGIBSFYVULJ-UHFFFAOYSA-N	314.374	1.978	50	20	DDGD	
Cc1cccc(F)c1S(=O)(=O)NNC(=O)c1ccccc1	186904808	ACAXEVUDGATLRA-UHFFFAOYSA-N	308.334	1.757	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCC[C@@H]1CCCCO1	181862260	UXXGFXNANAWPCG-HNNXBMFYSA-N	319.405	1.909	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2ncnc3nc[nH]c23)cc(O)n1	182703520	INCBWBUHGMYOSR-UHFFFAOYSA-N	313.321	1.334	50	20	DDGD	
O=C(NNC(=O)c1cc(C2CC2)on1)c1cccc([N+](=O)[O-])c1	74016976	FWLGYNSOGVMNDT-UHFFFAOYSA-N	316.273	1.535	50	20	DDGD	
CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)CCCCCl)C1	154767388	UUVIEPXHTWAUGR-OLZOCXBDSA-N	308.875	1.751	50	20	DDGD	
C#Cc1cccc(NC(=O)NNC(=O)Cn2nc(C)cc2C)c1	183492519	IUVSTKBUHGUSSQ-UHFFFAOYSA-N	311.345	1.334	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC(C2CC2)C2CC2)cc1	122105088	IZWVTOHHUNAUGP-UHFFFAOYSA-N	317.389	1.893	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccc2ccccc2n1)N(C)C	126323000	ZFTPGHYFAWTPID-CQSZACIVSA-N	300.362	1.336	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	184961718	VPRXCRXIJPKGFE-NSHDSACASA-N	306.337	1.790	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1n[nH]c2c1CCC2	127073702	XYCVHIBOWZIOAX-UHFFFAOYSA-N	302.309	1.041	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(-c2cccc(OC)c2)n[nH]1	132556715	SVVASELRAOEOOQ-UHFFFAOYSA-N	317.349	1.439	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2ccc(F)c(F)c2)nc(C)n1	130344071	QEOOQGNVOTUJCC-UHFFFAOYSA-N	321.287	1.453	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(C#N)[nH]1	133282241	QCGPQPWZKFHCQD-SECBINFHSA-N	316.292	1.254	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2cccs2)n[nH]1)C1=CCOCC1	193709292	HIFMFHPGDIBJEB-UHFFFAOYSA-N	318.358	1.246	50	20	DDGD	
Cc1cccc(OCC(=O)NNc2nc3ccccc3c(=O)[nH]2)c1	137186820	CCIDJCOYNLJFSD-UHFFFAOYSA-N	324.340	1.754	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc(-c3ccncc3)on2)n1	193824819	OHGGTRXNCPFZRL-UHFFFAOYSA-N	310.317	1.900	50	20	DDGD	
COCc1ccc(NC(=O)NNC(=O)c2ccncc2)cc1	192598871	VERFKQZPLHBYKT-UHFFFAOYSA-N	300.318	1.695	50	20	DDGD	
O=C(CCn1cncn1)NNC(=O)Cc1ccc2ccccc2c1	194612858	XTBYIGILVAFCQS-UHFFFAOYSA-N	323.356	1.212	50	20	DDGD	
Cc1c(C(=O)NNC(=O)Cc2ccncc2)cnn1C(C)C	92490518	RQLMJGGKWDNAIA-UHFFFAOYSA-N	301.350	1.171	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1ccc(O)cc1	254736353	NFRWGOZBVYMXMO-UHFFFAOYSA-N	300.314	1.930	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)COc2ccc(F)cc2)O1	268388948	ZYBFMWKFUQPION-YPMHNXCESA-N	310.325	1.310	50	20	DDGD	
CC(C)(C(=O)NNC(=O)C1(O)CCCCC1)c1ccccc1	267945112	UHBFHUAIYHAIAN-UHFFFAOYSA-N	304.390	1.807	50	20	DDGD	
CC[C@H](OC)C(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1	269329448	XBROLGBUCMFQTN-VIFPVBQESA-N	322.369	1.155	50	20	DDGD	
O=Cc1ccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)[nH]1	267434902	ZOZRVUOTKNINRN-UHFFFAOYSA-N	315.373	1.805	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCc2nc(C)no2)c1	272859379	UENSFQRNNDZVJS-UHFFFAOYSA-N	304.306	1.241	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncnc2ccsc12)c1ncnn1C	276982345	VBWXZMNWPSSVQS-SSDOTTSWSA-N	318.366	1.207	50	20	DDGD	
C[C@H](C(=O)NNc1ccncc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	272601116	UISYPJJDJLEWGB-WXHSDQCUSA-N	316.361	1.088	50	20	DDGD	
COc1ccc(CNC(=O)NNc2nc(C)cc(C)n2)nc1	278373785	KWGDCGVEOOBUAO-UHFFFAOYSA-N	302.338	1.323	50	20	DDGD	
COc1nccnc1NNC(=O)c1csc([C@H]2CCCO2)n1	274046600	GINQNYDMBHJJCA-SECBINFHSA-N	321.362	1.550	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NCCCC#N	278278641	YTTCDDIYPHFSKW-SNVBAGLBSA-N	324.768	1.741	50	20	DDGD	
CON(C)C(=O)c1ccc(NC(=O)NNC(=O)C(C)(C)C)cc1	271353624	HKZAQIPDYMHKHC-UHFFFAOYSA-N	322.365	1.519	50	20	DDGD	
CCO[C@H](C)C(=O)NNC(=O)CSc1ccccc1OC	270633282	HGCRPMFKGDPRCT-SNVBAGLBSA-N	312.391	1.360	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)CC[C@H]2CCOC2)nc1C	272211386	RRIIFCCOGPECDI-NSHDSACASA-N	322.365	1.222	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNc1nnc(-c2ccccn2)s1	377094945	PXCILVCMWXSZDH-GXSJLCMTSA-N	321.406	2.104	50	20	DDGD	
COCC1(C(=O)NNC(=O)COc2ccc(F)cc2)CCC1	283880389	CXQVPZQZGSCTDV-UHFFFAOYSA-N	310.325	1.169	50	20	DDGD	
CC[C@@H](C)CCC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	285091378	OAUBTXQIEFRZNC-LLVKDONJSA-N	305.378	1.907	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C[C@H]2C=CCCC2)cc1	282963007	UUKBQWZODCBXCI-ZDUSSCGKSA-N	315.373	1.827	50	20	DDGD	
COCCN(C)NC(=O)C1(c2ccc(F)cc2)CCOCC1	288444838	OODFJEYXUWTVGZ-UHFFFAOYSA-N	310.369	1.483	50	20	DDGD	
COC(=O)N(C)NC(=O)c1nnn(Cc2ccc(F)cc2)c1C	286407597	PPDGCXXIOURFAX-UHFFFAOYSA-N	321.312	1.117	50	20	DDGD	
CC(C)c1ncncc1C(=O)NNC(=O)NCC(F)(F)F	281417709	ZVABIVMWUASVDU-UHFFFAOYSA-N	305.260	1.106	50	20	DDGD	
O=C(CN1CCCCC1=O)NNc1ccc2c(O)nccc2c1	285757280	QTDYXDJBNPKCFG-UHFFFAOYSA-N	314.345	1.396	50	20	DDGD	
CO[C@@H](C)CCC(=O)NNC(=O)Nc1cc(F)cc(F)c1	283782468	RMLAWASSGVXHCJ-QMMMGPOBSA-N	301.293	1.933	50	20	DDGD	
CC(C)(C(=O)NNC(=O)Cc1ccncc1)C1CCOCC1	281564274	UUYYAPCMPGXIPB-UHFFFAOYSA-N	305.378	1.224	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC2CCCC2)c(C)c1OC	286736951	DYIHKTMZJFSTJZ-UHFFFAOYSA-N	321.377	1.899	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCCC2)NNC(=O)[C@H]1CCCCO1	295582905	OMIQMKFEOCFBHD-MRXNPFEDSA-N	316.401	1.824	50	20	DDGD	
CCc1ccc(N2C[C@H](C(=O)NN(C)CCOC)CC2=O)cc1	808073728	PIYXLVMZQJJUGR-CQSZACIVSA-N	319.405	1.211	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)NNc2nnc[nH]2)C1	293981875	RISZCUOCEOOKKN-JTQLQIEISA-N	324.385	1.285	50	20	DDGD	
Cc1ccc(C)c(SCC(=O)NNC(=O)N2CCOCC2)c1	299402390	WFUCNQKYKMLTJI-UHFFFAOYSA-N	323.418	1.469	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ncc(Cl)cc1C	291696797	IJFKIKXBENJUAU-ZETCQYMHSA-N	312.757	1.175	50	20	DDGD	
CN1C[C@H](C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])CC1=O	299072896	RMNZTVZKICQKAA-SSDOTTSWSA-N	312.713	1.170	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cc(O)ccc1C(F)(F)F	294039046	DUAZEUKGESJYAF-UHFFFAOYSA-N	302.252	1.972	50	20	DDGD	
CC(C)c1nn(C)c(Cl)c1C(=O)NNC(=O)[C@@H]1CCCO1	294191511	XIVQZYALHRZLJT-QMMMGPOBSA-N	314.773	1.137	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc(C(=O)N(C)CC)c1	806774844	JJDMQPKKUSQCRX-UHFFFAOYSA-N	321.381	1.476	50	20	DDGD	
COC(=O)c1nn(C)c(C)c1/C=C(\C#N)C(=O)[C@H]1CCCOC1	291808639	BFYNKHKCFJWJQH-WBOGTDJTSA-N	317.345	1.418	50	20	DDGD	
O=C(NNC(=O)c1ccnn1CC(F)F)Nc1ccccc1	801989007	AHCFMHAMJTXJFX-UHFFFAOYSA-N	309.276	1.615	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@@H]2CCC=CO2)cc1	802118915	PWZXITKHTXDAEK-ZDUSSCGKSA-N	304.350	1.598	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1O[C@H](C)C[C@H]1C	800320426	AFYQUSKNJFVAMR-GPCCPHFNSA-N	316.361	1.217	50	20	DDGD	
Cc1nn(C)c2cc(NC(=O)NNC(=O)C3CCC3)ccc12	291886344	VZYXCXXADCSQIN-UHFFFAOYSA-N	301.350	1.835	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H]2CCCN2C)cc1C	291059830	ACOFWNYILVVGPO-AWEZNQCLSA-N	305.378	1.709	50	20	DDGD	
COC(=O)c1cc(OC(=O)C2=CCOCC2)ccc1[N+](=O)[O-]	808402973	XXSQUFGIGWWXOK-UHFFFAOYSA-N	307.258	1.634	50	20	DDGD	
O=C(CCc1ccoc1)NNC(=O)Nc1ccc2c(c1)OCO2	802106161	UIPAPYRZXZPSJK-UHFFFAOYSA-N	317.301	1.794	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccc(-n2ccnc2S)cc1	816769899	BDKABOVFFBOUEO-UHFFFAOYSA-N	315.362	1.046	50	20	DDGD	
O=C(Cc1cccc(Cl)c1F)NNc1ncnc2[nH]cnc12	810423769	ZKIVVISBOWJCRF-UHFFFAOYSA-N	320.715	1.831	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ncc(Cl)cc2C)nc1	812984008	OTHNIQZOTFMSIR-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(S(=O)(=O)CCl)C1	817146063	OCQSOGKALBYEMP-VHSXEESVSA-N	311.831	1.812	50	20	DDGD	
Cc1nsc(C)c1C(=O)NNC(=O)c1ccc2c(c1)OCO2	814100859	YQWFIKIWXAVYIT-UHFFFAOYSA-N	319.342	1.563	50	20	DDGD	
C=C(C)C(C)(C)C(=O)NNC(=O)c1nnc(O)c2ccccc12	819008417	WVYXHGAVKNPPND-UHFFFAOYSA-N	314.345	1.699	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccccc2O)nn1C(C)C	817358753	OJNBHUNRFMMCKT-UHFFFAOYSA-N	317.349	1.945	50	20	DDGD	
Cn1nncc1NNC(=O)c1occc1COc1ccccc1	816769235	ZGSIHIKVUCLYMP-UHFFFAOYSA-N	313.317	1.744	50	20	DDGD	
COc1ncnc(N)c1C=NNC(=O)Nc1cc(F)cc(F)c1	815005913	BARWOYIPUWRVHV-UHFFFAOYSA-N	322.275	1.501	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)c1ccc[nH]1)c1ccc(Cl)cc1	814796989	ZFNMIDYRBSWUMI-CQSZACIVSA-N	307.737	1.337	50	20	DDGD	
Cc1oc(-c2ccccc2)nc1CC(=O)NNc1cnnn1C	816770318	SDEXZKHRBWUORZ-UHFFFAOYSA-N	312.333	1.464	50	20	DDGD	
CC(C)(O)CN1CCC(=NNC(=O)c2ccccc2O)CC1	814213128	YOWOBGRPHWFCKC-UHFFFAOYSA-N	305.378	1.345	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H]1CN2CCCN1CC2	812768014	ASLZMRCQCLZJCL-INIZCTEOSA-N	316.449	1.951	50	20	DDGD	
CO[C@H]1CCC[C@@H](C(=O)NNC(=O)c2cccc(C#N)c2)C1	814407975	BKHHKQWOLWUYJC-KGLIPLIRSA-N	301.346	1.524	50	20	DDGD	
Cc1ncsc1C(=O)NNc1nc(-c2cccnc2)no1	728077590	WZEFCKLUXAEMNK-UHFFFAOYSA-N	302.319	1.653	50	20	DDGD	
COc1cccc2c1OCC[C@@H]2NC(=O)NNC(=O)CC(C)C	725874663	LJBBVXGNXNNGDA-LBPRGKRZSA-N	321.377	1.895	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cn(C)nc1-c1ccccc1Cl	823960190	XIBSLPCDOURVRU-SNVBAGLBSA-N	322.796	1.698	50	20	DDGD	
COC(=O)N(C)N=Cc1ccc(S(N)(=O)=O)c(Cl)c1	496925169	XYKLPFRAKIULND-UHFFFAOYSA-N	305.743	1.020	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)CCc2ccco2)cn1	726906158	OQSGRUDMXKVXPV-UHFFFAOYSA-N	320.374	1.634	50	20	DDGD	
CCOC(=O)NNC(=O)CCNc1cc(Cl)ccc1OC	491845004	DDWTWWNVVOWROX-UHFFFAOYSA-N	315.757	1.928	50	20	DDGD	
CC[C@H](Nc1ccccc1)C(=O)NNC(=O)c1cccn1C	729856158	MNVNMPUZICPJFG-ZDUSSCGKSA-N	300.362	1.677	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2C[C@H]2c2sccc2C)nc(N)n1	828371875	OLONEEMWKVKJDG-ZJUUUORDSA-N	303.391	1.984	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNC(=O)c1cc(C)cs1)C(C)C	824863630	RYMUNYHLAPIAOK-NSHDSACASA-N	312.391	1.653	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)Nc2cc(F)cc(F)c2)CO1	827617242	FCZOEXDDUNJOTF-HQJQHLMTSA-N	314.292	1.478	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=CCCC1CCOCC1	495363122	UKGZVFXEYZUXTB-UHFFFAOYSA-N	313.398	1.820	50	20	DDGD	
CCN(CCO)NC(=O)CCc1ncc(-c2ccc(C)cc2)o1	823842788	YWVYLQDUWPKWKT-UHFFFAOYSA-N	317.389	1.928	50	20	DDGD	
CCCNC(=S)NNC(=O)CCCNC(=O)OC(C)(C)C	494078546	NCKAGCKEJDIRPP-UHFFFAOYSA-N	318.443	1.197	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2c(C)noc2C)c(C)c1	726102091	SDFJNVHGUMHCOS-UHFFFAOYSA-N	316.361	1.781	50	20	DDGD	
Cn1ncc(Cl)c1C(=O)NNC(=O)CCCc1ccccc1	825745361	ZBDWPWCAXLLBOK-UHFFFAOYSA-N	320.780	1.857	50	20	DDGD	
O=C(NNC(=O)c1ccc(C(F)(F)F)nc1O)c1ccc[nH]1	822067080	QEEPVZQLPANUPM-UHFFFAOYSA-N	314.223	1.209	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNc1nccnc1C(C)C)C(C)C	822483673	OLHBWAAOYDTHGR-NSHDSACASA-N	308.382	1.878	50	20	DDGD	
Cc1nnc(S)n1CCNC(=O)[C@@]1(C)C[C@@H]1Br	825295859	SNVTZJRJDPLAJF-XVKPBYJWSA-N	319.228	1.165	50	20	DDGD	
CN(C)CC1(CNC(=O)/C(C#N)=C\c2cnn(C)c2)CCCC1	491129559	HBHAHBFNHIVEAJ-NVNXTCNLSA-N	315.421	1.565	50	20	DDGD	
CC(C)(C)C[C@@H](NCc1ccccc1B(O)O)C(F)(F)F	585033972	LNAFOQDFETWZRZ-GFCCVEGCSA-N	303.133	1.823	50	20	DDGD	
O=C(NCB(O)O)c1cccc(COc2cccc(F)c2)c1	585059881	DYZZSRLKQUOWAI-UHFFFAOYSA-N	303.098	1.147	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1	494572153	KZEBAFWTVYNIKG-UHFFFAOYSA-N	322.365	1.916	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCCN(C)C(=O)O)c1ccccc1	736845759	DETKACZCYLMHFM-ZDUSSCGKSA-N	321.377	1.718	50	20	DDGD	
CC(=O)Nc1ccsc1C=NNC(=O)Cc1cccnc1	735406439	CBZLXSZJMAEVCE-UHFFFAOYSA-N	302.359	1.794	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)CCC1Cc2ccccc2C1	496335206	AGATVEZAGRYGMZ-UHFFFAOYSA-N	312.391	1.372	50	20	DDGD	
O=C(CNc1cccc(Cl)c1)NNC(=O)NCc1ccco1	733951488	IAHOMNZEJPUPNB-UHFFFAOYSA-N	322.752	1.876	50	20	DDGD	
O=C(c1ccc(Oc2ccccc2)nc1)N1CC[C@H](B(O)O)C1	585069719	PKFDBMMRWICHIW-ZDUSSCGKSA-N	312.134	1.563	50	20	DDGD	
O=C(/C=C\[C@@H]1CCOC1)NNC(=O)c1ccc(Cl)cc1F	493836792	NOSHLRRWUPTUOV-RZXPJHQTSA-N	312.728	1.833	50	20	DDGD	
CC(C)OC(=O)[C@H](C)N(C)C(=O)[C@]1(C)C[C@H]1Br	906991799	LWYFTTNPSDAXEX-YGOYTEALSA-N	306.200	1.958	50	20	DDGD	
COC(=O)c1occc1C=NNC(=O)c1ccccc1OC	731487796	DCLJVEOUYDIUOX-UHFFFAOYSA-N	302.286	1.839	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CC2(O)CCCC2)c(F)c1	837209943	SZBPWKDCUDHEEQ-UHFFFAOYSA-N	310.325	1.751	50	20	DDGD	
O=C(NC[C@@H]1CCCNC1=O)NNc1c(F)cccc1Cl	838778563	IWYGJMNFKNRTKX-QMMMGPOBSA-N	314.748	1.631	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)Cc2cc(O)nc(S)n2)C1(C)C	736430381	YPBBAQNLHJZVFS-JTQLQIEISA-N	324.406	1.321	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)ccc1N(C)C	831223628	DQQVUZPQSJACPH-WCQYABFASA-N	320.393	1.639	50	20	DDGD	
CC1=CCN(CCNC(=O)[C@]2(C)C[C@@H]2Br)CC1	907386832	YDIZXRAMDHZVRE-WCQYABFASA-N	301.228	1.928	50	20	DDGD	
COC(=O)NCCC(=O)NNC(=S)Nc1ccc(C)c(C)c1	730842634	LWYQIFSOWUTFKB-UHFFFAOYSA-N	324.406	1.367	50	20	DDGD	
CCOCCONC(=O)NNc1cccc(C(=O)OC)c1F	838558258	WDJQDTBIIBIILM-UHFFFAOYSA-N	315.301	1.207	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1nc2n(n1)CCCC2	836775732	GFYAWLSJBNNPPC-UHFFFAOYSA-N	300.322	1.081	50	20	DDGD	
C[C@H]1CC=C(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1	836204205	ZXTZMLJHYJDQIU-XHDPSFHLSA-N	316.357	1.720	50	20	DDGD	
CC(=O)N1CCC[C@@H](C(=O)NNc2cnnc3ccccc23)C1	733811740	ODKSIJKUONMSKR-GFCCVEGCSA-N	313.361	1.331	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N(CC1CCC1)CC1CC1	584983472	MUHYEHCECAAHSN-UHFFFAOYSA-N	305.158	1.158	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNC(=O)CCc1ccccc1	838775155	CGKGVIPNHIYISB-KGLIPLIRSA-N	305.378	1.517	50	20	DDGD	
CCOC1(CNC(=O)NNC(=O)[C@H]2CCCCO2)CCCC1	836481916	PIBUKLSIRKTLFG-GFCCVEGCSA-N	313.398	1.235	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H](Oc1ccccc1C#N)C(C)C	918415845	QKZYMOIHSLSJLC-CQSZACIVSA-N	303.362	1.765	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(Br)nc1	746593365	ZAPAZLWINPLHGL-UHFFFAOYSA-N	315.171	1.588	50	20	DDGD	
COc1ccc(NNC(=O)CCn2cc([N+](=O)[O-])cn2)cc1	746883663	STWHVMUREOTHRS-UHFFFAOYSA-N	305.294	1.333	50	20	DDGD	
NC(=O)[C@H]1CC[C@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	848159111	UBOPUVFFZRRWIX-JGVFFNPUSA-N	302.256	1.055	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)NC2(C)CCC2)c(OC)c1	840726183	LNVKBFHRBNXDPG-UHFFFAOYSA-N	323.418	1.755	50	20	DDGD	
CC(C)CC(=O)NCCC(=O)NN=c1cc[nH]c2ccccc12	743338797	GHYROUOVGNCMLK-UHFFFAOYSA-N	314.389	1.652	50	20	DDGD	
C[C@H](Cc1ccc(F)cc1)C(=O)NNC(=O)Cc1ccncc1	747324899	QDXVDIMIJCTZAM-GFCCVEGCSA-N	315.348	1.789	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(-n2cncn2)nc1	748544636	PZBPCINZNHZKHQ-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
Cc1cc(C)c2c(c1)C(=NNC(=O)N1CCOCC1)C(=O)N2	745590974	MTNNIPQLYHVFGJ-UHFFFAOYSA-N	302.334	1.001	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCCCN1C1CCCC1	843970482	GOKDTWMAXPCTML-AEGPPILISA-N	323.437	1.356	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)/C=C\Sc1ccccc1	843640060	AWXKGWLMOVDMDB-RJSMLTLRSA-N	306.387	1.865	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C1CCCC1)c1nc(C(C)(C)C)no1	745919896	OBAKUYCCDWKQJX-SECBINFHSA-N	323.397	1.949	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)c1nccnc1N	748748566	NOIPMXGZPQYBCO-UHFFFAOYSA-N	322.166	1.887	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1cnc2c(c1)CNCC2	841323016	YIRCXITXXBLTJZ-UHFFFAOYSA-N	305.382	1.316	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccc(C(N)=O)cc2)o1	746303313	RUHCKQOAIIXOCS-UHFFFAOYSA-N	313.317	1.525	50	20	DDGD	
O=C(NNC(=O)c1cccnc1S)c1ccc(Cl)cc1O	918359065	JUWUZPIYKDDAMS-UHFFFAOYSA-N	323.761	1.804	50	20	DDGD	
CCSc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cn1	843644796	DWSWNMDUJZANIB-GXSJLCMTSA-N	309.391	1.380	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1ccc(OCCC(=O)O)cc1	842560010	YLYHZEPZIHJRBQ-RISCZKNCSA-N	320.345	1.415	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1occc1COc1ccccc1	910175623	QBLMFVMYRLYGHB-GFCCVEGCSA-N	304.346	1.816	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)/C(C#N)=C/c1ccc(F)cc1	843974043	MQQLCVFEVNCYRO-QTVVZREVSA-N	317.320	1.305	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1ncoc1-c1ccccc1	743473198	KVDDXJHPOQUEEZ-UHFFFAOYSA-N	321.300	1.765	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CS[C@H](C)C2)c1	840421785	ZOCGIEKYFPHFGT-SKDRFNHKSA-N	309.391	1.993	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NCCCNC(C)C	841932720	RSIADYHTKKHHFN-UHFFFAOYSA-N	306.410	1.256	50	20	DDGD	
COC(=O)COc1c(C)cc(C=NNC(=O)NC(C)C)cc1C	746494735	RMMDHTSVTBMTDX-UHFFFAOYSA-N	321.377	1.897	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNc1nc(O)c2ccccc2n1	842233537	VHBUUXNVPCAXAX-LBPRGKRZSA-N	304.350	1.840	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NOCCSC)cc1	845163420	NTTTUIJELYHHOQ-UHFFFAOYSA-N	313.379	1.323	50	20	DDGD	
O=C(CN1CC[C@@H]1c1ccccc1)NNC(=O)c1ccccc1	747619122	HQMMJVQPPGFBLS-MRXNPFEDSA-N	309.369	1.895	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CC1(Cn2cnnn2)CCCCC1	845149723	KUANQTOSLMVBOW-UHFFFAOYSA-N	322.413	1.207	50	20	DDGD	
CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(C)cc1	920381048	NQBHKPFHKZRNHM-CYBMUJFWSA-N	309.391	1.205	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNC(=S)N[C@@H](C)C1CC1	855099903	QCISHLKIOPIFGN-JTQLQIEISA-N	322.434	1.696	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cnc2[nH]nnc2c1	755577304	YOFGRKDTSXNMQR-UHFFFAOYSA-N	308.223	1.527	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)Oc1ccc(F)cc1)c1cnn(C)c1	920826659	GHFGWQWGCGDIBY-LLVKDONJSA-N	304.325	1.867	50	20	DDGD	
Cc1nn(C)c(C)c1[C@H](C)C(=O)NNC(=S)N[C@H](C)C1CC1	855102187	HPLLUCHBTNUBNG-DTWKUNHWSA-N	323.466	1.434	50	20	DDGD	
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NNC(=O)Cc1ccc(F)cc1	854237797	FJICYTJKWZSNTN-CHWSQXEVSA-N	308.353	1.719	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1	758075670	LIVBPVVUXIAJFY-OCCSQVGLSA-N	321.352	1.149	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)COc1cc(C)cc(C)c1)C1CC1	858127396	ZIZMZJBABVUXLY-MRXNPFEDSA-N	320.389	1.645	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)[C@H]1COc2ccccc2O1)C1CC1	920053106	CQBCSMODXLVMON-IINYFYTJSA-N	319.361	1.203	50	20	DDGD	
O=C(NNc1ccncn1)c1ncccc1OCC(F)(F)F	857520863	RCGKROHKZCUMSK-UHFFFAOYSA-N	313.239	1.570	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cnn(C)c1Cc1ccccc1	854920404	OLQUYQNYIMWTNL-UHFFFAOYSA-N	317.418	1.092	50	20	DDGD	
COCCCn1nccc1C=NNC(=O)OCC(F)(F)F	853429703	QHBYOYNEOCBUBH-UHFFFAOYSA-N	308.260	1.542	50	20	DDGD	
CN1CCc2[nH]c3ccc(C(=O)NNc4nc[nH]n4)cc3c2C1	857261752	VGHYQGJUSMDJIF-UHFFFAOYSA-N	311.349	1.031	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(Cl)cs1	758757802	TUHCNIZLAJCGHC-ZCFIWIBFSA-N	304.755	1.504	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cnc2ccccn12	855090457	FZOJDJHYLMUEHE-UHFFFAOYSA-N	303.391	1.243	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@@H]2CCCN(C)C2)c1	858283165	YPXVUMLPNBWIQJ-NSHDSACASA-N	310.423	1.342	50	20	DDGD	
O=C(NNC(=O)[C@H](F)Cc1ccccc1)OCC(F)(F)F	856023030	VZSXJTQIGZTFDF-SECBINFHSA-N	308.231	1.887	50	20	DDGD	
C[C@H](O)C[C@H](C)CNC(=O)NC[C@@]1(C)C[C@@H]1Br	856955547	MHZYRMWPKBPGBT-QFOLPQNPSA-N	307.232	1.866	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@](C)(O)Cn2ccccc2=O)cc1F	856228537	WOMKWLBDVDZMRC-INIZCTEOSA-N	319.336	1.190	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1cc(C(F)(F)F)n[nH]1	857486938	RHVMDDBZXALHIO-UHFFFAOYSA-N	305.647	1.656	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCO1	854003438	HXNHYCFRCQHOBL-YPMHNXCESA-N	322.296	1.541	50	20	DDGD	
CN(C/C=C\C(=O)NNC(=O)CC(F)(F)F)CC(F)(F)F	855000919	QOTNSOCLYXNBFP-IHWYPQMZSA-N	321.221	1.137	50	20	DDGD	
Cc1ccccc1[C@H](C)C(=O)NNC(=O)N1CCN(C)CC1	935860882	SAMRBLFRRGUQDP-ZDUSSCGKSA-N	304.394	1.087	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNC(=O)c1ccc(C#N)cc1	759380828	UGCXMQILFSKLMF-UHFFFAOYSA-N	309.329	1.294	50	20	DDGD	
CN(C)C(=O)C1CCC(C(=O)NNC(=O)CC(C)(C)C)CC1	857115162	CGNNDUIOKNUDFP-UHFFFAOYSA-N	311.426	1.465	50	20	DDGD	
CCSC1(CNC(=O)NNC(=O)N=c2cc[nH]cc2)CC1	852625888	NDVHXBMNZTYZHJ-UHFFFAOYSA-N	309.395	1.125	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cnc2[nH]nnc2c1	755572055	IKQZCBXHKKQIEI-UHFFFAOYSA-N	320.259	1.711	50	20	DDGD	
CC(C)N1CCC[C@@H]1C(=O)NNC(=O)c1cccc(C#N)c1	931935207	KWWSAMXRQIEJMW-CQSZACIVSA-N	300.362	1.192	50	20	DDGD	
CCC(=O)N1CCc2ccc(NC(=O)NNC(=O)C(C)C)cc21	934184591	DULFAXOUCJHSSR-UHFFFAOYSA-N	318.377	1.794	50	20	DDGD	
N#CSCCCNC(=O)[C@@H]1CCN(Cc2ccccc2)C1=O	935843608	XFEPQDVCQOFTKH-AWEZNQCLSA-N	317.414	1.756	50	20	DDGD	
CCCC1(C(=O)OCC(=O)NNC(=O)c2cccc(C)c2)CC1	761459256	DXTAGQZYGZAJEZ-UHFFFAOYSA-N	318.373	1.880	50	20	DDGD	
O=C(NC[C@@H]1COCCN1)NNc1c(F)cccc1Cl	861684865	RXHALOUZOLXBKL-MRVPVSSYSA-N	302.737	1.094	50	20	DDGD	
Cc1cc(=NNC(=O)C(=O)Nc2nc(C3CC3)cs2)cc[nH]1	861960041	KQJWDLNBKPSIIO-UHFFFAOYSA-N	317.374	1.228	50	20	DDGD	
COC(=O)Nc1ccc(C(=O)NNC(=O)N(C)C)c(Cl)c1	931119600	QLSGIXABRWHFLV-UHFFFAOYSA-N	314.729	1.434	50	20	DDGD	
COCCC(=NNC(=O)Cn1nc(C)cc1C)C1CCOCC1	764895617	GQXRYRLJGMWAEL-UHFFFAOYSA-N	322.409	1.435	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2nc3ccccc3[nH]c2=S)C1=O	862293607	ZKHQZODKXOCFGW-QMMMGPOBSA-N	317.374	1.214	50	20	DDGD	
CCCC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cc(C)cs1	862478013	QCTQBOJJZLPTDS-NSHDSACASA-N	323.418	1.609	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCCN(CC(F)F)C2)o1	866437021	WMEXSIMGZKSEJI-JTQLQIEISA-N	315.320	1.326	50	20	DDGD	
C[C@@H](Sc1ccc(F)cc1)C(=O)NNC(=O)C(C)(C)O	935564166	WQEDVOKCINNJNY-MRVPVSSYSA-N	300.355	1.225	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1ncc2n1CCCC2	869454850	IDAYXIZSKWQTTN-UHFFFAOYSA-N	312.242	1.651	50	20	DDGD	
COC(=O)C[C@H](O)CNC(=O)CCCC[C@H]1CCSS1	863016355	QBVIZORGSUNWEP-QWRGUYRKSA-N	321.464	1.741	50	20	DDGD	
CN1CCN(C(=O)[C@@H](Br)C(C)(C)C)C(C)(C)C1=O	768251809	GWFDERGVBYIPFI-SECBINFHSA-N	319.243	1.875	50	20	DDGD	
O=C(NN=Cc1ccc(F)cc1Cl)C(=O)Nc1ccccn1	767792655	NTUOHZLPQGWHSV-UHFFFAOYSA-N	320.711	1.963	50	20	DDGD	
N#CC1=CCN(C(=O)c2cc(F)ccc2N2CCOCC2)CC1	760003218	HZWZEAVTOHHWAR-UHFFFAOYSA-N	315.348	1.958	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)CCc1c(F)cccc1F	863399895	XBRYUTLCEDIVMK-UHFFFAOYSA-N	306.334	1.114	50	20	DDGD	
O=C(NN=Cc1cnc(C2OCCO2)s1)c1ccccn1	761723997	LOVDHJOYAVVONK-UHFFFAOYSA-N	304.331	1.347	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1ccc2c(c1)CCC2	1118183360	QNLLOYNKKPKVFB-NHYWBVRUSA-N	317.389	1.431	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)c1ccc([N+](=O)[O-])[nH]1	1115865256	DEZRRXCKUMPMOP-UHFFFAOYSA-N	308.681	1.651	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc(-c2n[nH]c(C)n2)c1	878592421	JUGNDUXNBWFWDY-UHFFFAOYSA-N	304.354	1.395	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@@]1(C)Oc2ccccc2NC1=O	878717069	USUVEPZWDXIHRK-INIZCTEOSA-N	319.361	1.360	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)O[C@H]2CCCN(C)C2=O)c1	764506100	MICQWTYYPFFIOK-CTXBLAANSA-N	314.341	1.766	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)OC(C)(C)C)c1cn(C)cn1	872360933	IQMNABBSNCCPTE-UHFFFAOYSA-N	323.397	1.565	50	20	DDGD	
Cc1cnn(CC2CC2)c1NC(=O)NNC(=O)c1ccc[nH]1	1116565302	OSJUBVDOENYAQK-UHFFFAOYSA-N	302.338	1.396	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1cnc2ccccc2c1	770319558	CGIUJEUFTODJEM-UHFFFAOYSA-N	308.363	1.089	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccccc1OC(F)F	872402457	IJVRZYRNBWQKPE-UHFFFAOYSA-N	302.277	1.401	50	20	DDGD	
Cn1c(=O)n(CCC(=O)NCCCSC#N)c2ccccc21	773570950	IYIYZJRMQBZKCE-UHFFFAOYSA-N	318.402	1.451	50	20	DDGD	
C[C@@H](CBr)COC(=O)CN(C)c1ncccn1	770338032	ASOUFOYEJCSECC-VIFPVBQESA-N	302.172	1.487	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)C1(F)CCCC1	771868665	SEOJLEYGNLCJPX-UHFFFAOYSA-N	304.325	1.466	50	20	DDGD	
Cc1cccc(F)c1S(=O)(=O)NNC(=O)c1ccccn1	775246669	SNUHXZVCOHVQES-UHFFFAOYSA-N	309.322	1.152	50	20	DDGD	
COc1ccc(CCNC(=O)NN=c2cc[nH]c(C)c2)cc1O	876390953	CCLPPAZETNVBIR-UHFFFAOYSA-N	316.361	1.395	50	20	DDGD	
C=CCOc1cccc(NC(=O)NNC(=O)C2CCOCC2)c1	878439109	RUNQOXSZHDGASP-UHFFFAOYSA-N	319.361	1.831	50	20	DDGD	
Nc1cnnc(NNC(=O)COc2ccccc2C=O)c1Cl	1116298486	SGSSKTWEICFDBU-UHFFFAOYSA-N	321.724	1.047	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CS[C@H]2CCCOC2)c1	779834382	RWPMLEOZVSVBNF-ZDUSSCGKSA-N	319.386	1.231	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)c1nccs1	770684473	ZXCBCVJADGTRGT-UHFFFAOYSA-N	323.399	1.705	50	20	DDGD	
COc1ncnc(OC)c1C(=O)NNc1nccnc1C(C)C	772874823	HWCDWJAQQOJPJX-UHFFFAOYSA-N	318.337	1.164	50	20	DDGD	
CCSc1ccccc1C(C)=NNC(=O)NCC(=O)OC	779823962	VCDYGJWJNXXSFI-UHFFFAOYSA-N	309.391	1.995	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC2CC2)nn1-c1cccc(C#N)c1	779890120	YRHCZZKPTVWNRH-UHFFFAOYSA-N	324.344	1.159	50	20	DDGD	
CO[C@@H](C)c1nc(CNC(=O)NN=c2cc[nH]c(C)c2)cs1	875356943	GEISWZSNKBRKPQ-JTQLQIEISA-N	321.406	1.802	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCCC(C)(C)O)cc1C	776262747	FAPQRDGWWDNNQV-UHFFFAOYSA-N	323.393	1.174	50	20	DDGD	
CCn1cc(-c2n[nH]cc2C(=O)NNC(=O)CC(C)C)cn1	778389374	YATSIBHJRIZQAU-UHFFFAOYSA-N	304.354	1.100	50	20	DDGD	
CCn1c(NNC(=O)[C@](C)(O)C(C)C)nc2ccccc2c1=O	771122087	BRPLBKBLPHPECP-MRXNPFEDSA-N	318.377	1.267	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)c1ccc(OC)c(OC)c1	770597263	XAOPVSKLZORKSV-UHFFFAOYSA-N	316.361	1.764	50	20	DDGD	
CC1(OCC(=O)NNC(=O)Cc2c[nH]c3ccccc23)CCC1	773258188	RWZIPMPCPUXORV-UHFFFAOYSA-N	315.373	1.817	50	20	DDGD	
COc1cc(CC(=O)NCCCSC#N)cc(OC)c1OC	773584474	ARQYZRHSJLZTGG-UHFFFAOYSA-N	324.402	1.975	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)c3coc4ccccc34)nc21	770984190	UGYMFYKZGGKXHA-UHFFFAOYSA-N	324.300	1.572	50	20	DDGD	
O=C(c1cccc(CCl)c1)N1CCN(c2nc[nH]n2)CC1	1120749800	NWJISXRADRUESG-UHFFFAOYSA-N	305.769	1.506	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnn(-c2ccc(Cl)cc2)c1	770542087	ANWRHOQDLZPIKW-UHFFFAOYSA-N	321.768	1.832	50	20	DDGD	
C=C(C)CN1CCC(NC(=O)NNc2ccc(C#N)cn2)CC1	888182724	GZKHUMDOLPXLPP-UHFFFAOYSA-N	314.393	1.620	50	20	DDGD	
COc1nn(C)cc1C(=O)NNc1oc(C(C)C)nc1C#N	883958708	DCKCZVYZPUJEKP-UHFFFAOYSA-N	304.310	1.169	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NNC(=O)c1cccnn1	882056580	ABXSNRVIVLPRPK-VHSXEESVSA-N	302.359	1.411	50	20	DDGD	
Cc1nc(NC(=O)NNC(=S)Nc2ccc(C)c(F)c2)no1	781112894	WLYCJBHJXTURPW-UHFFFAOYSA-N	324.341	1.849	50	20	DDGD	
Cn1cc([C@@H]2C[C@@H](NS(=O)(=O)CCCCl)CCO2)cn1	882331364	BZCCSCGOTVIBJM-RYUDHWBXSA-N	321.830	1.189	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)O[C@](C)(CC)O2	785986939	BIMHOQMPHQMGIC-OAHLLOKOSA-N	321.333	1.080	50	20	DDGD	
COC(=O)c1cc(C)ccc1OS(=O)(=O)CBr	782436174	ZSERVWZJVWRJJN-UHFFFAOYSA-N	323.164	1.843	50	20	DDGD	
COc1cccc(NNC(=O)c2cc([N+](=O)[O-])ccc2O)n1	781024930	JMKVPIRVBZDGDO-UHFFFAOYSA-N	304.262	1.461	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccnc(F)c1)NC(=O)OC(C)(C)C	781367678	GBCHWCIKNOZOOI-VIFPVBQESA-N	312.345	1.967	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C1(SC)CC1	789727442	NKLFDNPIGAWMNO-UHFFFAOYSA-N	310.375	1.117	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cn2c(n1)CCCC2	799518440	LPJBTZHFPYNZPJ-UHFFFAOYSA-N	301.306	1.885	50	20	DDGD	
CC1=C(C(=O)NNc2cccc(C#N)c2)[C@@H](C)n2ncnc2N1C	798981324	GZBLXDQXNVTCQK-LLVKDONJSA-N	323.360	1.578	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(-c2n[nH]c(C)n2)cc1	798306567	LYWJDXUFTHMFTN-UHFFFAOYSA-N	316.390	1.075	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ncc(Br)s1	798305545	ULJAXIJPKGAVSR-UHFFFAOYSA-N	321.225	1.201	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N(C)c2nccn2C)cc(C#N)n1C	791248690	QQFKFNXTSOVKCS-QPEQYQDCSA-N	308.345	1.509	50	20	DDGD	
C[C@H]1CCN(S(=O)(=O)c2ccc(CCl)cc2)[C@H]1CO	388776496	JKVUZEJABMKJMH-GWCFXTLKSA-N	303.811	1.817	50	20	DDGD	
CCOC(=O)C(F)(F)[C@H]1CCCC(=NNC(=O)CCO)C1	1319935255	ZCJCBPXFBSSDAP-VIFPVBQESA-N	306.309	1.230	50	20	DDGD	
CC1(CCNC(=O)NNc2ccc(C(C)(C)C)nn2)OCCO1	1320288697	GRSWIVPDDBJAQD-UHFFFAOYSA-N	323.397	1.553	50	20	DDGD	
CCCCn1cc(C(=O)NNc2nncc(N)c2Cl)c(C)n1	1320479261	UPJQBQRIUPVSSI-UHFFFAOYSA-N	323.788	1.774	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C1CCNCC1)c1ccccc1Cl	1325680622	MGVBGSGUBBLIQX-SNVBAGLBSA-N	324.812	1.731	50	20	DDGD	
CCCCN(C)CCNC(=O)NNc1nncc(N)c1Cl	1322642957	JPHLORUIHFOYSC-UHFFFAOYSA-N	315.809	1.070	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCc2nc3cccnc3[nH]2)o1	1252720455	OOWHCEOHFQEWKS-UHFFFAOYSA-N	313.317	1.253	50	20	DDGD	
C=CC[C@H](NC(=O)[C@@]1(C)C[C@@H]1Br)C(=O)OCC	1333269919	VWJVTKVBOHNADF-AUTRQRHGSA-N	304.184	1.784	50	20	DDGD	
C[C@H](C(=O)NNc1nccn(C)c1=O)c1ccc(F)c(F)c1	1339890278	DOTYRKSKZWEDKU-QMMMGPOBSA-N	308.288	1.305	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cc(O)ncc1Br	1333669855	ZCRQJXMIDWVWLM-UHFFFAOYSA-N	316.155	1.357	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccn(C)n2)cc1N1CCOCC1	1333454639	IVAGWKIKTMFZQT-UHFFFAOYSA-N	315.377	1.322	50	20	DDGD	
NC1CC2(C1)CC(NC(=O)NNC(=O)c1ccc(Cl)cc1)C2	1357791132	JKCFNNQUJYVGGH-UHFFFAOYSA-N	322.796	1.554	50	20	DDGD	
Cc1ccc(NNC(=O)c2cnn3c2OCCC3)cc1C(=O)O	1600463826	TWINOPFGTCPBSR-UHFFFAOYSA-N	316.317	1.429	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2ccccc2C(=O)O)cn1C	1600065205	BYKSORAHYCGKTN-UHFFFAOYSA-N	301.302	1.149	50	20	DDGD	
C[C@@H]1CSC[C@@H]1NC(=O)NNc1ccc(C(=O)O)cc1F	1604823027	HITBTTZPAQLOST-HQJQHLMTSA-N	313.354	1.902	50	20	DDGD	
O=C(NCc1cscn1)NNc1cccc(-c2nn[nH]n2)c1	1606844216	CBJJDGCLSISLGN-UHFFFAOYSA-N	316.350	1.150	50	20	DDGD	
O=C(O)c1cc(NNC(=O)c2cnc3n2CCC3)ccc1F	1608856555	CXPBUZWNMNTLFD-UHFFFAOYSA-N	304.281	1.424	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@H]1C(=O)NNc1ccc(F)c(C(=O)O)c1	1604646773	FSIKWVNAIZIMSN-LDYMZIIASA-N	308.309	1.972	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCc1ccc(C(=O)O)nc1	1601045428	DFPQCZJZUGNKNV-NTUHNPAUSA-N	323.308	1.709	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cc2cnccc2[nH]1	1606861604	OONYRXQOBBTDFR-UHFFFAOYSA-N	320.316	1.500	50	20	DDGD	
O=C(CCc1ocnc1C(=O)O)NNc1nc2ccccc2[nH]1	1608322733	WXJVRMJKBGZGEM-UHFFFAOYSA-N	315.289	1.325	50	20	DDGD	
O=C(O)c1cc(NNC(=O)C23CCCN(CCC2)C3)ccc1F	1602286784	POXYEWJUHWOZBJ-UHFFFAOYSA-N	321.352	1.843	50	20	DDGD	
Cc1cc(C)c(NNC(=O)Cn2cc(C(=O)O)cn2)c(C)c1	1600163376	KHHKVJZKAIEKPN-UHFFFAOYSA-N	302.334	1.650	50	20	DDGD	
O=C(CNCC(F)(F)F)NNc1ccc(F)c(C(=O)O)c1	1608341266	BYEMHQISJCPNPF-UHFFFAOYSA-N	309.219	1.119	50	20	DDGD	
CCOCC(C)=NNC(=O)[C@@H]1CCCO[C@@H]1c1nccn1C	1549308137	DPZAMYJPRPAPGE-OLZOCXBDSA-N	308.382	1.416	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1cc(F)cc(F)c1	1549314941	AGIVXLJRLVXQGU-GJZGRUSLSA-N	323.343	1.668	50	20	DDGD	
O=C(NN=Cc1coc2ccccc12)[C@H]1CN2CCC[C@@H]2CO1	1549315925	DAEGHQSSZQJSSO-CZUORRHYSA-N	313.357	1.746	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@H]1C[C@]12CCNC2	1574302165	BGHKZJJAYXSZPA-WFASDCNBSA-N	307.781	1.030	50	20	DDGD	
NCC[C@@H](NC(=O)NNc1nc2cccnc2s1)C(F)F	1580282579	BKQKIVCUFSYHFV-ZCFIWIBFSA-N	316.337	1.300	50	20	DDGD	
N[C@H](CCC(=O)NNC(=O)[C@H]1CCCS1)c1ccccc1	1580126071	DAKBEQKOBVAAPE-CHWSQXEVSA-N	307.419	1.510	50	20	DDGD	
CON1CCC(NC(=O)NNc2cccc(C(=O)O)c2C)CC1	1599319232	YXVKLZNDBVSMTD-UHFFFAOYSA-N	322.365	1.345	50	20	DDGD	
CC(C)(CC(=O)O)CC(=O)NNc1nncc(N)c1Cl	1590635042	CWUSULRLHKDGIV-UHFFFAOYSA-N	301.734	1.046	50	20	DDGD	
O=C(NNc1ccccc1)C1=NN(c2ccccc2)[C@@H](C(=O)O)C1	1594782267	VLTVPGOOFPZDBP-OAHLLOKOSA-N	324.340	1.849	50	20	DDGD	
CCCC[C@@H](NC(=O)NNC(=O)C(=O)O)c1ccc(OC)cc1	1595635786	LHPDMPBJCXEPJK-GFCCVEGCSA-N	323.349	1.342	50	20	DDGD	
CC[C@H](C)[C@@H](NNC(=O)c1cccc2ncccc12)C(=O)O	1594919799	DOAIEIKVLUEPBM-IINYFYTJSA-N	301.346	1.969	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2ncc(F)cc2F)cc1	1776101441	IICRWRDJSJJXEE-UHFFFAOYSA-N	305.240	1.822	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1ccc(C(=O)O)c(OC)c1	1776118235	XBLKEIJBSAPADL-YRNVUSSQSA-N	304.302	1.063	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl)c1cc[nH]n1	1796804658	NBLDRFVUQGKPEC-PKIKSRDPSA-N	314.748	1.196	50	20	DDGD	
NC(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2F)cc1	14290661	NDHFCBVLSUYKCY-UHFFFAOYSA-N	316.292	1.391	50	20	DDGD	
COc1cc(CCC(=O)NNC(=O)C2CC2)cc(OC)c1OC	15794337	TXXYKPREQXXEBQ-UHFFFAOYSA-N	322.361	1.202	50	20	DDGD	
C=CCC(CC=C)C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1	160499178	MNOYFCJYFJDXJZ-KBPBESRZSA-N	323.437	1.402	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@H]1CCO[C@@H](C2CC2)C1	160534807	HVLHUKDOBHELRN-VHSXEESVSA-N	311.773	1.714	50	20	DDGD	
O=C(CN1CCCCC1=O)NNc1nc(C(F)(F)F)cs1	152913430	JWFGUIXPXIBIFA-UHFFFAOYSA-N	322.312	1.618	50	20	DDGD	
C[C@H](NC(N)=O)C(=O)NNc1ccc(F)cc1Br	153685315	QICHAGMLSXSQKO-YFKPBYRVSA-N	319.134	1.088	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H](NC2CCOCC2)C(C)C)n1	157179495	BNZNNPLDTDHGHA-CQSZACIVSA-N	321.425	1.330	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc(C(C)(C)C)s2)cn1	155365902	XYFDJXGKYACFQJ-UHFFFAOYSA-N	306.391	1.854	50	20	DDGD	
O=Cc1ccc(OCCC(=O)NNc2ncc(F)cn2)cc1	157463580	DECFSRCFCTZPEQ-UHFFFAOYSA-N	304.281	1.340	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NNc1ccc(C(F)(F)F)cc1	159738675	XGJVEEILUGSCSE-SNVBAGLBSA-N	318.299	1.986	50	20	DDGD	
O=S(=O)(c1ccc(CCl)cc1)N1CCC[C@H](O)CC1	393439660	XXCWUFRDKWHMMM-LBPRGKRZSA-N	303.811	1.961	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)c1ccc(Cl)c(Cl)c1	8391286	LBJUUIJNHSXEOL-UHFFFAOYSA-N	318.160	1.279	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H]2Cc3ccccc3C(=O)O2)n1	21127428	INWGWMKOTHSINE-CYBMUJFWSA-N	312.329	1.318	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@]2(N(C)C)CCC[C@@H](C)C2)nn1	106334460	JILBHMKOZATJAT-MLGOLLRUSA-N	320.441	1.922	50	20	DDGD	
C[C@H]1CCc2c(C(=O)NNC(=O)c3cnn(C)c3)csc2C1	117678952	ZACFVXVEMVDLFF-VIFPVBQESA-N	318.402	1.681	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)c1n[nH]c(=O)c2ccccc12	66326282	GXHDWJBYWZUGRT-UHFFFAOYSA-N	316.267	1.958	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CC[C@@H]2CCCO2)cc1	55707882	YKSMLWQQXOJLCG-HNNXBMFYSA-N	320.389	1.734	50	20	DDGD	
N#CC1(C(=O)NNC(=O)Cn2ccc3ccccc32)CCCC1	104629827	WFHYRNZRTYJGCC-UHFFFAOYSA-N	310.357	1.873	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H](C)N1CCCCCC1	114273567	IXHCDLFCGZQVHV-CYBMUJFWSA-N	319.405	1.721	50	20	DDGD	
C[C@H]1C[C@H](c2ccccc2)CN1CC(=O)NNC(=O)C1CC1	115555745	AOOAGXVUTFQDKK-WFASDCNBSA-N	301.390	1.422	50	20	DDGD	
O=C(CCSCc1ccccn1)NNC(=O)NC1CCCC1	65919287	BJPRGTRUOALIAF-UHFFFAOYSA-N	322.434	1.978	50	20	DDGD	
C[C@H](COCC(F)(F)F)NC(=O)NNC(=O)OC(C)(C)C	67709804	KNGMWSSTDSEJGW-SSDOTTSWSA-N	315.292	1.693	50	20	DDGD	
CCCCCS(=O)(=O)CC(=O)NNc1ncccc1Cl	114886217	OAUZUZDWXWCDKK-UHFFFAOYSA-N	319.814	1.783	50	20	DDGD	
COCCNC(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	68394415	NOKOFKQGOHTJPX-VIFPVBQESA-N	315.757	1.084	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)C(=O)NNc1ccccc1C(F)(F)F	176497703	QDAJZKNGMZPOKO-QMMMGPOBSA-N	324.324	1.829	50	20	DDGD	
CCCC(=O)N1CSC[C@@H]1C(=O)NNc1ccc(F)cc1	66606826	HXNYMGYJFSHENP-GFCCVEGCSA-N	311.382	1.970	50	20	DDGD	
Cc1cnn(-c2ccc(C(=O)NNC(=O)NC(C)C)cc2)c1	63268913	LIRMPTHUTYEQDV-UHFFFAOYSA-N	301.350	1.533	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1nc2cc(OC)ccc2n1C	184540618	BATNQGGHRKVREO-PKNBQFBNSA-N	314.345	1.642	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(N2CCN(C)CC2)cc1	211131824	NUJRGWFWSLXKJV-YPKPFQOOSA-N	314.389	1.821	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2ccccc2Cl)nc1	124303675	RPAQZPGFTMIUJP-UHFFFAOYSA-N	320.736	1.825	50	20	DDGD	
CNS(=O)(=O)c1ccc(C(=O)NNc2cccc(C)c2)cc1	73569409	BNDYNLVDPARMFD-UHFFFAOYSA-N	319.386	1.660	50	20	DDGD	
CCN(C)C(=O)[C@H](C)NC(=O)NNc1c(F)cccc1Cl	188009542	DTFIHZBUIOTJHX-QMMMGPOBSA-N	316.764	1.972	50	20	DDGD	
CCN(CCNC(=O)NNc1ncnc2ccsc12)C1CC1	121624725	RSJOSVHHSBFRKX-UHFFFAOYSA-N	320.422	1.802	50	20	DDGD	
C[C@@H]1CC(C(=O)NNC(=O)C(=O)Nc2ccccn2)C[C@H](C)C1	180437075	VAQNLYSANSMWPO-FOSCPWQOSA-N	318.377	1.240	50	20	DDGD	
Cc1ccc(C#N)cc1NC(=O)NNC(=O)Cc1cccnc1	184656574	KNSJILCOHBKTTM-UHFFFAOYSA-N	309.329	1.657	50	20	DDGD	
O=C(NNc1nnc(C2CC2)s1)c1ccc([N+](=O)[O-])cc1O	124843229	CSDGWMCDYNRXDD-UHFFFAOYSA-N	321.318	1.786	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@@H](c1ccccc1)C1CC1	121763443	JARWOTCLBMHDRK-KBPBESRZSA-N	303.362	1.647	50	20	DDGD	
Cc1cnc([C@@H](C)NC(=O)NNC(=O)Cc2ccncc2)s1	78349475	GYZCBPPNKPXFDH-SNVBAGLBSA-N	319.390	1.481	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)NOC[C@@H]1CCOC1	190441358	RPMVZIZFDKJDFV-SSDOTTSWSA-N	305.256	1.698	50	20	DDGD	
COc1ccnc(NNC(=O)Cc2cc(F)c(F)cc2F)n1	134919372	YWSDBIHPFKYRDX-UHFFFAOYSA-N	312.251	1.588	50	20	DDGD	
COC(=O)C1(C(=O)NNc2ccc(C(F)(F)F)cn2)CC1	132028559	KTPSYLGCTZIPBK-UHFFFAOYSA-N	303.240	1.497	50	20	DDGD	
CC(=O)NC[C@H]1CCCN(CCI)C1	190838557	KCUIQQWHGHIFTR-SNVBAGLBSA-N	310.179	1.270	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)c1cccnc1	194516239	ODRDGMLPFVPACI-UHFFFAOYSA-N	304.737	1.879	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccc(F)cc1[N+](=O)[O-]	133106904	GEIVEZGWFZVVFA-UHFFFAOYSA-N	324.190	1.240	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(OC)c(C)c(OC)c1	41960723	DUTMUPWNVHMNAA-UHFFFAOYSA-N	309.391	1.307	50	20	DDGD	
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NNC(=O)C(C)(C)O)c1	192917286	NYXVKCDAOSEDLX-GFCCVEGCSA-N	322.405	1.804	50	20	DDGD	
COc1cc(CN2CC[C@H](NC=C(C#N)C#N)C2)cc(OC)c1	86962263	LIRMFQYETVEYGS-HNNXBMFYSA-N	312.373	1.799	50	20	DDGD	
Nc1nccnc1C(=O)NNc1ccccc1OC(F)(F)F	190194551	BOFSLGDUJHPZFR-UHFFFAOYSA-N	313.239	1.714	50	20	DDGD	
N#Cc1cc(F)ccc1NC(=O)NNc1nc2ccccn2n1	192316326	GUTJLSWVWHTBQI-UHFFFAOYSA-N	311.280	1.889	50	20	DDGD	
Cn1cc(/C=C(/C#N)c2ccc3ccccc3n2)c(=O)n(C)c1=O	97491982	VBUTYOQUVLBOQI-LCYFTJDESA-N	318.336	1.696	50	20	DDGD	
N#Cc1ccccc1/C=C\C(=O)NNC(=O)NCC(F)(F)F	255918466	CIYDQJUODHIBCR-WAYWQWQTSA-N	312.251	1.464	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C2CCC2)ccc1OC(F)F	264760392	MQGDIWRXYKGZPZ-UHFFFAOYSA-N	314.288	1.858	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)Cn2cnc3ccccc32)O1	268316642	JLMWNACFWLQDHO-SMDDNHRTSA-N	316.361	1.141	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1csc(NC2CC2)n1	269300027	XKSFQVWSOVHMQO-UHFFFAOYSA-N	317.374	1.116	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCC2(C)CCOCC2)n1	267876028	WLUXAGSBNJRMMW-UHFFFAOYSA-N	309.370	1.236	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C(C)(C)S(C)(=O)=O	265068266	SLERXZOCAPYZNS-UHFFFAOYSA-N	317.319	1.332	50	20	DDGD	
C[C@@H]1CC[C@@H](CC(=O)NNC(=O)CNC(=O)c2cccs2)C1	268253287	HZBOWLBKOHFGAX-GHMZBOCLSA-N	323.418	1.452	50	20	DDGD	
CC[C@@H]1CO[C@@H](C)CN1CC(=O)NNC(=O)c1ccc(F)cc1	268537007	RWJXDSLBMZNXMP-SMDDNHRTSA-N	323.368	1.086	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N(C)CC1CCN(C)CC1	264171249	ZCELNBCAOASDFY-UHFFFAOYSA-N	318.421	1.623	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@H]1CCCc2sccc21	366561129	ZFJYRYXJMJLJRH-NSHDSACASA-N	309.391	1.241	50	20	DDGD	
CC[C@]1(C)CN(C(=O)NNC(=O)c2ccccc2C)CCO1	276959848	RTQVYISMZRCARY-MRXNPFEDSA-N	305.378	1.850	50	20	DDGD	
O=C(NCC1CC1)C(=O)NNc1ccc(C(F)(F)F)cn1	276582228	XYTLEOAZZNPPEJ-UHFFFAOYSA-N	302.256	1.070	50	20	DDGD	
CC(C)(C)c1nnc2ccc(C(=O)NNc3ncccn3)cn12	274379493	AIOYBBGVXVFJEU-UHFFFAOYSA-N	311.349	1.574	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@@H](C)SC	274341885	DVOABCLKIBIWGV-MRVPVSSYSA-N	318.420	1.293	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)[C@@H]1CC12CCOCC2	360656608	IIDVWJCJQYGLQN-LBPRGKRZSA-N	323.418	1.438	50	20	DDGD	
Cc1nc(CCNC(=O)[C@H](Br)C(C)(C)C)n[nH]1	274336709	KAKUCBVMESMWPZ-VIFPVBQESA-N	303.204	1.581	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)n1	272092961	LIOFGMUUPYJXEN-NEPJUHHUSA-N	323.397	1.705	50	20	DDGD	
CC(C)[C@H]1C[C@H](CC(=O)NNC(=O)Cc2cccnc2)CCO1	273172474	KTGZJFGXFIOFFL-UKRRQHHQSA-N	319.405	1.613	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNc1nccn(C)c1=O	274360533	KUESYDCNJSRQNX-NEPJUHHUSA-N	308.382	1.209	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1cccc(OCCC(C)C)c1	274006338	AOUYCVYWADVPLT-UHFFFAOYSA-N	307.350	1.217	50	20	DDGD	
CC(=O)N[C@H](CC1CCC1)C(=O)NNc1ccc([N+](=O)[O-])cc1	279991493	VVLNFOUPACLHTB-CQSZACIVSA-N	320.349	1.733	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(-c2n[nH]c(CC)n2)cc1	272667600	JNCZCPKGBLMOAK-UHFFFAOYSA-N	316.365	1.340	50	20	DDGD	
C[C@H]1CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)CC[S@]1=O	279314172	NVBHLZFTZZBEQN-WPZJGDGASA-N	318.398	1.669	50	20	DDGD	
CCC1(C(=O)NNC(=O)c2ccccc2OC)CCOCC1	272416318	ZWXCXRWOQBCCGW-UHFFFAOYSA-N	306.362	1.663	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccccc1SC(C)C	274214782	NTBFQNZOTCCXLS-UHFFFAOYSA-N	311.363	1.513	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNC(=O)C(C)(C)C)ccc1C	271459136	SVXOJTRQAAKHDE-UHFFFAOYSA-N	307.350	1.980	50	20	DDGD	
O=C1CCC[C@@H]1[C@H]1COCCN1S(=O)(=O)CCCCCl	373428319	XTKDOWQLTGWKJA-VXGBXAGGSA-N	323.842	1.405	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@](C)(CC)OC)cc1OC	281148806	OHPOESDGSKERAX-INIZCTEOSA-N	324.377	1.670	50	20	DDGD	
Cc1nnc(CCNC(=O)[C@@H](Br)C(C)(C)C)n1C	286559262	SDAZPYPLMSVLEK-SNVBAGLBSA-N	317.231	1.592	50	20	DDGD	
C[C@H]1COCC[C@H]1CNC(=O)NNC(=O)Cc1ccccc1F	287040946	SXRXDPOEAWRUEE-AAEUAGOBSA-N	323.368	1.371	50	20	DDGD	
COCCN(C)NC(=O)CCNc1cc(Cl)ccc1OC	288522582	NTSZLQOZFWNXDF-UHFFFAOYSA-N	315.801	1.760	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NNc2nc(-c3ccncc3)no2)O1	282206535	OFJGRKSNEZKQCK-FXPVBKGRSA-N	303.322	1.388	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cn(C(C)C)cn2)cc1	281490061	IMSXCWZWYWSOEF-UHFFFAOYSA-N	316.361	1.612	50	20	DDGD	
CCC[C@H](OC)C(=O)NNc1nc2ccccc2c(=O)n1C	294982350	SIKOULRDUDJUMC-LBPRGKRZSA-N	304.350	1.192	50	20	DDGD	
O=C(Cc1ccc(F)cn1)NNC(=O)c1cccc2ncccc12	806809444	FUYGIFQTOBKXCJ-UHFFFAOYSA-N	324.315	1.773	50	20	DDGD	
COc1cc(CCC(=O)NNc2ncncc2F)cc(OC)c1	293935542	HWYSXSZCEJNMQG-UHFFFAOYSA-N	320.324	1.709	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1ccc2c(c1)CCCN2C	299412077	HHYZUWNBQAYGPU-UHFFFAOYSA-N	318.421	1.946	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)Nc1cccc(F)c1Cl	806771878	IKEBSIVPEHMZOT-UHFFFAOYSA-N	311.704	1.598	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cn(C)nc2C)cc1	802060571	KHEJIYZRHGADFP-UHFFFAOYSA-N	303.322	1.204	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1ccc2cnccc2c1	297099689	ZZOYSLJKFURLGS-ZDUSSCGKSA-N	300.318	1.567	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CCc1ccncn1	805374318	NHPOARZNVAGRAB-UHFFFAOYSA-N	301.306	1.769	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NNc2ccncn2)C1	296715037	TUJNVNJZJMCJKR-JTQLQIEISA-N	322.369	1.112	50	20	DDGD	
CCn1ncc(C(=O)NN(C)CCOC)c1-c1ccccc1	297191462	VGZWMTVYABJPNT-UHFFFAOYSA-N	302.378	1.793	50	20	DDGD	
CC1(C)Oc2ccc(NC(=O)NNC(=O)[C@@H]3CCCO3)cc2O1	292658817	PTDLPUBTJRZINE-NSHDSACASA-N	321.333	1.526	50	20	DDGD	
Cc1cc(C)c(CC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c(C)c1	294082413	CMGGJONVLAYNTM-ZFWWWQNUSA-N	304.390	1.869	50	20	DDGD	
CC(C)CN1CC[C@@H](CNC(=O)NNc2ncncc2F)C1	293112876	UHLPGFJOXVHGCM-NSHDSACASA-N	310.377	1.220	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNc1ccc(-n2ccnc2)nn1	804957934	XZYXAWHFGGBSRH-GWCFXTLKSA-N	304.354	1.167	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)Cc2ccccc2F)no1	294705356	TZVOCVAIOJVDSJ-UHFFFAOYSA-N	305.309	1.770	50	20	DDGD	
COc1cccc([C@@H](C)C(=O)NNC(=O)N=c2cc[nH]cc2)c1	802024223	MCTYNTVEZOGCNN-LLVKDONJSA-N	314.345	1.469	50	20	DDGD	
CC(C)N(CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)C(C)C	299675504	MOMCBRHAKXBHFR-UHFFFAOYSA-N	322.365	1.475	50	20	DDGD	
Cc1oc(C(C)C)cc1C(=O)NNC(=O)N=c1cc[nH]cc1	803394275	RMWGAQYYKUQHFT-UHFFFAOYSA-N	302.334	1.995	50	20	DDGD	
COCC1(C(=O)NNc2ncnc3ccsc23)CCOCC1	290621562	XBGBOZYMGSRBJC-UHFFFAOYSA-N	322.390	1.578	50	20	DDGD	
CC[C@](O)(C(=O)NNc1ncccn1)c1cccc(Cl)c1	800407376	OTKMSYIHECUEFR-CQSZACIVSA-N	306.753	1.871	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)Nc2ccc(OC)cc2)on1	814999137	MGIDQHOPVUQDCR-UHFFFAOYSA-N	318.289	1.625	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CC(C)(C)Oc2ccc(O)cc21	814901029	UHXJVDIEEIYWHU-UHFFFAOYSA-N	321.333	1.130	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)[C@@H]1CC(c2cccnc2)=NO1	817010621	JGTIYXALZMKFTF-NSHDSACASA-N	317.736	1.766	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)COc1ccccc1F	812445784	ZMIGKNNDLJHKFP-QWRGUYRKSA-N	312.341	1.271	50	20	DDGD	
NS(=O)(=O)c1ccc(C=NNC(=O)c2ccccc2F)cc1	811630034	QTHUAHOCSIYEJZ-UHFFFAOYSA-N	321.333	1.237	50	20	DDGD	
Cn1c(NNC(=O)c2ccnc(C3CC3)n2)nc2ccccc21	816577091	WJCXWXLNQBRIJP-UHFFFAOYSA-N	308.345	1.998	50	20	DDGD	
CC(=O)N1C[C@H]2[C@@H](NC(=O)NNc3ccccc3)CCC[C@H]2C1	812433034	IJLCHPNOLXJIOJ-IMJJTQAJSA-N	316.405	1.960	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1c(F)cc(OC)cc1F	726766671	GLYAMYGCZNZDFW-SSDOTTSWSA-N	322.333	1.329	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NN=Cc3cnn(C)c3N)cc2C1	814760067	YYNHUZCAFALFEO-SECBINFHSA-N	317.418	1.953	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C(C)c2ccc(N)nc2)c1	814738003	OTPJWPNGRDRYNP-UHFFFAOYSA-N	314.345	1.835	50	20	DDGD	
CCc1nn(C)c(OC)c1C=NNC(=O)c1ccc(N)cc1	814690543	PMGGKPSMFBJRGB-UHFFFAOYSA-N	301.350	1.337	50	20	DDGD	
CCN(CCO)NC(=O)C1(C(=O)OC(C)(C)C)CCCCC1	823893799	XAQDHOKFFNWWQL-UHFFFAOYSA-N	314.426	1.624	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCc2sccc2C1	827306907	KUQGQNCDBROLLP-GXSJLCMTSA-N	309.391	1.272	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NCCCC2CCC2)n1	822456651	YYKYVMWRRRSAHV-UHFFFAOYSA-N	307.398	1.411	50	20	DDGD	
CN(C)c1ncccc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	825888887	YHQGDYSRWZNPNW-UHFFFAOYSA-N	324.348	1.085	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@]2(C#N)CC23CCCC3)n1	825987217	HRJYTCYAAUYLEI-OAHLLOKOSA-N	300.366	1.460	50	20	DDGD	
CCCN(C)c1ccc(C(=O)NNc2cc(C)nc(N)n2)cc1	828367520	RFMRVDBRHXSBEI-UHFFFAOYSA-N	314.393	1.970	50	20	DDGD	
CC[C@H](C#N)C(=O)NNC(=S)Nc1ccc(OC)c(F)c1	822653712	ZNYCBLSXZMUWHH-MRVPVSSYSA-N	310.354	1.702	50	20	DDGD	
Cc1cc(Br)c(C(=O)NN(C)[C@H](C)CO)s1	823917742	MYRJCAFNBDPNRV-ZCFIWIBFSA-N	307.213	1.776	50	20	DDGD	
CC(C)NC(=O)Nc1ccccc1C(=O)NN(C)[C@@H](C)CO	823982895	GNYPOVNHLYYVSX-NSHDSACASA-N	308.382	1.174	50	20	DDGD	
N#Cc1ccc(N2CCC[C@@H]2C(=O)NNC(=O)NC2CC2)cc1	728191265	WRLGVZKVNZHOSY-CQSZACIVSA-N	313.361	1.020	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@H]2CC(C)(C)OC2(C)C)cn1	491088307	ZGNIEHMKBFWWCU-UWUHSAQLSA-N	302.378	1.789	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(CCC(F)(F)F)CC1CC1	828020172	FEPWWTOJKYSESM-UHFFFAOYSA-N	309.332	1.454	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@H]1CCCC1(C)C	495472802	MAGBLDXDDINCDF-JTQLQIEISA-N	313.398	1.485	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)Cn1ccc2ccccc21	491387267	XRZDVLHPRNZDST-UHFFFAOYSA-N	305.341	1.621	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cn(-c2cccc(Cl)c2)nn1	496306085	NPKMSTZCALVASJ-UHFFFAOYSA-N	309.713	1.264	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc(C(=O)O)cc1)C1CC1	820136741	ZJQSIVZAIDHWCT-MRVPVSSYSA-N	307.375	1.292	50	20	DDGD	
O=C(NNC(=O)c1ccc(C(F)F)cc1)C(=O)N1CCCC1	726534065	VUGIPIWKUWJHPL-UHFFFAOYSA-N	311.288	1.008	50	20	DDGD	
C[C@@H]1CCCN([C@H](C)CNC(=O)/C(C#N)=C\c2cnn(C)c2)C1	491100814	BSZQLGIJRIKWRS-JVDHJZLLSA-N	315.421	1.564	50	20	DDGD	
CC(CCCO)=NNC(=O)CCCNC(=O)OC(C)(C)C	495794167	LONXQKKUYFTKCY-UHFFFAOYSA-N	301.387	1.556	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)NNc1ccccc1F)C2	496388573	SYKTWCWYGDPLQE-WDMOLILDSA-N	319.336	1.912	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CCCN2C(C)C)cc1F	821939330	OYTXLKZRQMWEFQ-CQSZACIVSA-N	323.368	1.928	50	20	DDGD	
CC(C)(C)OC(=O)NCC1(CC(=O)NNc2ncccn2)CC1	497235194	DKNKNKWQBHMCRZ-UHFFFAOYSA-N	321.381	1.615	50	20	DDGD	
Cn1c(=NNC(=O)/C=C/[C@@H]2CCOC2)sc2ccccc21	822362690	AZLZKQWJWFDNDI-AEGNJGEZSA-N	303.387	1.764	50	20	DDGD	
CN1C(=O)CCC[C@H]1C(=O)NNc1ccc(C#N)c(Cl)c1	907348010	NAZNQDASOCOUSK-LBPRGKRZSA-N	306.753	1.666	50	20	DDGD	
CN(C)c1nnc(-c2ccc(NC(=O)NN(C)C3CC3)cc2)o1	824241251	WPDOXGVKQGJXMO-UHFFFAOYSA-N	316.365	1.933	50	20	DDGD	
Cc1c(NNC(=O)[C@](C)(C#N)CC(=O)O)cccc1[N+](=O)[O-]	820949182	CKBZVRRMBVTFGI-ZDUSSCGKSA-N	306.278	1.351	50	20	DDGD	
CN(C(=O)c1cc(B(O)O)ccc1F)C1CC(C(C)(C)C)C1	585008140	KPUIRZCMOGUCKA-UHFFFAOYSA-N	307.174	1.402	50	20	DDGD	
O=C(NCC1CC1)NNS(=O)(=O)c1ccc(C2CC2)cc1	829763612	OTKGDBKNOYZPGV-UHFFFAOYSA-N	309.391	1.467	50	20	DDGD	
CN(CCCC(=O)NNc1ncccc1C(F)(F)F)C(=O)O	737426691	JBXPWWSPSZCXGZ-UHFFFAOYSA-N	320.271	1.934	50	20	DDGD	
O=C(NN=C1CCCS(=O)(=O)C1)c1cccc(Cl)c1	731924904	SBUIPERQPYFJGS-UHFFFAOYSA-N	300.767	1.634	50	20	DDGD	
Cc1c[nH]cc1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	826242869	JTBINQUVRHLEQA-UHFFFAOYSA-N	318.728	1.309	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CC[C@@H](B(O)O)C1	585066286	MSANIBYEXPWOAZ-DTWKUNHWSA-N	315.537	1.322	50	20	DDGD	
Cc1cc(C)c(OCC(=O)NNC(=O)c2c[nH]nc2C)c(C)c1	732084066	JDJMKYAMJYCJET-UHFFFAOYSA-N	316.361	1.483	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)Cc1ccc(Cl)cc1)C(C)C	490998675	ZDZYPMOXSBZSMS-ZDUSSCGKSA-N	307.781	1.871	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)c2ncon2)cc1OC	901285163	FYGAQMVQZGFZLD-UHFFFAOYSA-N	304.306	1.631	50	20	DDGD	
O=C(c1ccc(OCC(F)(F)F)cc1)N1CC[C@H](B(O)O)C1	585068930	IRXPKTIROBBBLP-JTQLQIEISA-N	317.072	1.317	50	20	DDGD	
CC[C@H](C)[C@@H](NNC(=O)COc1ccccc1F)C(=O)OC	905747186	KTSPULMXDSUKTF-IINYFYTJSA-N	312.341	1.413	50	20	DDGD	
C[C@H](N)CC(=O)NNc1c(F)cc(F)cc1Br	831970562	IOLQIJDGXMBLEF-YFKPBYRVSA-N	308.126	1.908	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)CNc1cccc(OC)c1	834934372	VDBYTPSDLGHWLE-UHFFFAOYSA-N	316.365	1.177	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)[C@H]2CCCCO2)CCc2ccccc2C1	833246698	PVLHJKMMRQWMHC-CRAIPNDOSA-N	316.401	1.898	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@]1(C)CC=CCC1	496873930	IZWZESZEBATTOF-HNNXBMFYSA-N	311.382	1.405	50	20	DDGD	
C[C@H](N)C[C@H](C)NC(=O)NNC(=O)c1cccc2ccccc12	831211559	HCQMXEQRXMTCPX-RYUDHWBXSA-N	314.389	1.910	50	20	DDGD	
O=C(c1ccc(F)c(C(F)(F)F)c1)N1CC[C@H](B(O)O)C1	585070114	WEUFBGPIAFKOKG-QMMMGPOBSA-N	305.036	1.533	50	20	DDGD	
CC(C)[C@H](C)NC(=O)COC(=O)/C(C#N)=C/c1cnn(C)c1	837969435	NSFAGJXITJMOGW-CBJCJLNRSA-N	304.350	1.031	50	20	DDGD	
CCOC1(C(=O)NNc2ncncc2Cl)CCOCC1	832671909	OQJYUQWGTJVAQT-UHFFFAOYSA-N	300.746	1.159	50	20	DDGD	
OB(O)[C@H]1CCN(c2ncnc3ccc(Br)cc23)C1	585073419	LJHLBGTVRZOJEJ-QMMMGPOBSA-N	321.971	1.445	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)N=c1cc[nH]cc1)C1CCCCC1	836325226	VXFDUTIVWYVMSP-LLVKDONJSA-N	305.382	1.808	50	20	DDGD	
COC(=O)CC1CCN(C(=O)[C@@]2(C)C[C@H]2Br)CC1	906370692	BYNFOKGNOQINFF-MFKMUULPSA-N	318.211	1.962	50	20	DDGD	
CCC[C@H](C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	736418879	ICKAYYRWEXNDQR-VIFPVBQESA-N	302.338	1.064	50	20	DDGD	
C#CCCCC(=O)NN[C@@H](C(=O)NC1CC1)c1ccc(F)cc1	901642938	DGGJNAOHODQFSB-MRXNPFEDSA-N	317.364	1.570	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCCO1)c1ccc(-n2cncn2)cc1	834988778	MNWWOKPESJLDRD-OAHLLOKOSA-N	313.361	1.677	50	20	DDGD	
C[C@H](CNCc1ccccc1B(O)O)Oc1cccc(F)c1	585027065	OCGYNTZELYNYNB-GFCCVEGCSA-N	303.142	1.063	50	20	DDGD	
CO[C@H]1CCC[C@H](c2nc(-c3ccc(B(O)O)cc3)no2)C1	585053140	BTEAOCOOCHMCMS-AAEUAGOBSA-N	302.139	1.089	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCCC1CC(F)(F)C1	838735733	UVTKDHKJQZNUMZ-UHFFFAOYSA-N	303.231	1.705	50	20	DDGD	
CC[C@H](C)C(=O)NN=Cc1ccc(OCC(=O)O)c([N+](=O)[O-])c1	731558681	FOYVZHGZDSGXPG-VIFPVBQESA-N	323.305	1.554	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)[C@H]1C[C@H]1C(=O)O	739344660	GUUFDZLGTWFXLX-UONOGXRCSA-N	312.325	1.250	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc2c(c1)CCC2	831077365	KKKPUIQQSGYRBB-IINYFYTJSA-N	303.362	1.753	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@H](O)c1cccc(C(F)(F)F)c1	910159039	ZCJHZKJBQRRMIL-KCJUWKMLSA-N	306.284	1.083	50	20	DDGD	
COCCN(C)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1	837628529	ZWOSKKACXCGHJU-UHFFFAOYSA-N	309.322	1.167	50	20	DDGD	
CCN(CC)c1ccc(C=NNC(=O)CN2CCCC2=O)cc1	916357607	AKFXJXKMQXCOEA-UHFFFAOYSA-N	316.405	1.605	50	20	DDGD	
O=C(NN=CCCc1cnoc1)c1ccc2c(c1)OCCO2	834936614	ALKWPBMUBORTPR-UHFFFAOYSA-N	301.302	1.794	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCCn2cccn2)cc1F	837052106	XZSCZZQBEDNQLF-UHFFFAOYSA-N	320.324	1.732	50	20	DDGD	
Cc1nn2c(=O)c3ccccc3[nH]c2c1C=NNC(=O)C1CC1	918708412	ZRJTUDKMINVXIJ-UHFFFAOYSA-N	309.329	1.344	50	20	DDGD	
O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)CC(F)(F)F	918364862	VPIOFUFJDLEGMF-UHFFFAOYSA-N	321.211	1.073	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCN(C2CCCC2)CC1	917539344	FJANOUTWGFLICK-UHFFFAOYSA-N	306.410	1.119	50	20	DDGD	
C[C@H]1CCc2c(F)cccc2C1=NNC(=O)C(=O)N1CCCC1	748249473	ZBRDHMJWROHEOI-NSHDSACASA-N	317.364	1.851	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCN(C)c2ccccc21	843977102	FSKDKKBDZSKJKZ-OUCADQQQSA-N	317.389	1.183	50	20	DDGD	
CC1=C(C(=O)NNc2cccc(F)c2)[C@@H](C)n2nnnc2N1C	847601722	DQGCZYDGZPFLBW-SECBINFHSA-N	317.328	1.240	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H](C)Cc1cnc[nH]1	848071360	OYNCAMSOLXBULE-SNVBAGLBSA-N	303.322	1.948	50	20	DDGD	
N#C[C@@H]1CNC[C@@H]1NC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	846677301	LEURYZKLNHAVBP-VLLVSFFDSA-N	312.211	1.168	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1cccc([N+](=O)[O-])c1	843657919	QKRAVSMQYODICZ-KWBADKCTSA-N	321.333	1.271	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)CCC(N)=O)C1	912579137	QFSJSRYVUOAMMS-LLVKDONJSA-N	300.475	1.875	50	20	DDGD	
CC[C@@H](N)CNC(=O)NNC(=O)Cc1cccc2ccccc12	842007013	NSLVWYDTTGEZGB-CQSZACIVSA-N	314.389	1.450	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=Cc1c[nH]nc1C	915945267	XYAFHAURNIBSMR-UHFFFAOYSA-N	302.334	1.646	50	20	DDGD	
NC(=O)c1ccc(C=NNC(=O)CCN2CCCCCC2)cc1	915952460	SPJPMIMLGIBJDW-UHFFFAOYSA-N	316.405	1.502	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1ccc2ccccc2n1	741459713	HJVLJONZYXNYDZ-UHFFFAOYSA-N	322.324	1.708	50	20	DDGD	
N#Cc1ccc(NNC(=O)Cc2nnc(O)c3ccccc23)cc1	748116827	JRYJZJPVVMZCFW-UHFFFAOYSA-N	319.324	1.893	50	20	DDGD	
CNC(=O)/C(C#N)=C\c1cc2ccccc2nc1N1CCOCC1	916127949	PRMXGNDJEIMUKO-PTNGSMBKSA-N	322.368	1.724	50	20	DDGD	
COC(C)(C)CNC(=O)NNC(=O)COc1cc(C)ccc1C	745890274	SNYKIBZIIIBORB-UHFFFAOYSA-N	323.393	1.438	50	20	DDGD	
CC(C)C(=O)NCCNC(=O)NNc1ccc(F)cc1Cl	913900922	KXOWBJRNGOPILI-UHFFFAOYSA-N	316.764	1.877	50	20	DDGD	
C[C@H](CN)NC(=O)NNC(=O)c1ccc(Cl)cc1Cl	841969892	RUTIFBNRYMJABO-ZCFIWIBFSA-N	305.165	1.285	50	20	DDGD	
COc1ccc(COCC(=O)NNc2nc(C)cc(C)n2)cc1	916160090	GKVNIRCYPMCFRC-UHFFFAOYSA-N	316.361	1.762	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)CNc1ccccc1OC	749755691	FAKFTVMXDGAYET-JTQLQIEISA-N	310.423	1.401	50	20	DDGD	
CN(C)C(=O)CCCNC(=O)NNc1ccc(F)cc1Cl	914362425	WEUIQIKULBTSSK-UHFFFAOYSA-N	316.764	1.974	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)[C@@H](C)CN1CCC(C)CC1	749754505	AENOAPLRVYJAHF-QWHCGFSZSA-N	314.499	1.648	50	20	DDGD	
CCCCSCC(=O)NNC(=O)COc1ccccc1F	914458189	FRPOZSFPDQQCTO-UHFFFAOYSA-N	314.382	1.885	50	20	DDGD	
CCOc1ccc(CCC(=O)NNC(=O)c2ncccn2)cc1	841354810	RNWNAVFPYRJGNN-UHFFFAOYSA-N	314.345	1.269	50	20	DDGD	
C[C@@H](C=NNC(=O)Cc1cc(O)nc(O)n1)c1ccccc1	743448099	YKQYXSFNPBJERM-JTQLQIEISA-N	300.318	1.336	50	20	DDGD	
COc1cccc([C@@H]2C[C@H]2CNC(=O)NNC(=O)C2CCC2)c1	840468899	JDKODDDVQFDVDD-ZFWWWQNUSA-N	317.389	1.929	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1c(C)nc2sc(C)cn12	748259827	XIKLSAXETZUOLR-NSHDSACASA-N	324.406	1.514	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1ccc(N2CCCC2)nc1	842551155	CDLBIAIFDSDCCC-JSGCOSHPSA-N	302.378	1.557	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)CCCCCNC(N)=O	846643218	LSUSBGPONGPUKX-UHFFFAOYSA-N	312.345	1.506	50	20	DDGD	
CCN(C(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C)c1cnn(C)c1	848343099	ZDKHXWKFULTSOC-NSIKDUERSA-N	322.372	1.899	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1cccnc1)c1ccc(Cl)cc1F	747514809	ITIRNNORFQRMSV-LBPRGKRZSA-N	323.711	1.369	50	20	DDGD	
COC(=O)c1cnc(C(C)=NNC(=O)c2c[nH]nc2C)s1	841626598	RFYZAGKKYGZRQV-UHFFFAOYSA-N	307.335	1.115	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1NC(=S)NNC(=O)Cc1ccncc1	747673158	VQTNMXIBIWTJEB-YPMHNXCESA-N	306.435	1.698	50	20	DDGD	
Cc1nc2ccnn2c(C)c1CCC(=O)NNC(=O)NC(C)C	745139478	LIOJSTIYTLITFU-UHFFFAOYSA-N	318.381	1.018	50	20	DDGD	
COC[C@@]1(CNC(=O)NNc2ccccc2Cl)CCCN1	841994496	MTSODBCPNSEFJL-AWEZNQCLSA-N	312.801	1.735	50	20	DDGD	
CSc1nc(O)nc(C)c1C(=O)NNC(=O)C1CCCC1	747358731	CYAZGUUKPZIZRN-UHFFFAOYSA-N	310.379	1.164	50	20	DDGD	
CCOc1cccc(NC(=O)NN(C)C(=O)N2CCNCC2)c1	841065724	TYECTQGPNQQGMS-UHFFFAOYSA-N	321.381	1.079	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1c[nH]c(C(F)(F)F)c1	843970351	DXJSEQUYQMTRFS-POYBYMJQSA-N	305.256	1.220	50	20	DDGD	
Cc1ccc2c(c1)CCC2=NNC(=O)N[C@H]1CCS(=O)(=O)C1	921259885	KBXSXVOBNJLJLF-LBPRGKRZSA-N	321.402	1.132	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H](C)Oc1ccc2c(c1)CCC2	921038215	KDCXUMNCSQUPPR-NSHDSACASA-N	305.378	1.683	50	20	DDGD	
Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNC(=S)N[C@@H](C)C1CC1	855102186	HPLLUCHBTNUBNG-BDAKNGLRSA-N	323.466	1.434	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)N[C@H]1CCc2n[nH]cc2C1	921512047	ZGSOJEWBPIQGRP-JTQLQIEISA-N	307.304	1.872	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@H](CC(N)=O)C2)C[C@H]1Br	856898071	WKQYSFVSAYQMJP-KBVBSXBZSA-N	318.215	1.067	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N1CC[C@H]2C[C@H]2C1	851915872	PNDCUTNTRCBBIZ-RYUDHWBXSA-N	313.361	1.339	50	20	DDGD	
COc1ccc(F)c(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c1	853390461	YGLFKDWAWYOQKK-DOMZBBRYSA-N	321.352	1.148	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](C)CN2CCCC2=O)cc1F	853459848	AASBAJRYQKBHGZ-NSHDSACASA-N	308.357	1.771	50	20	DDGD	
CCCC1(C(=O)OCC(=O)NNC(=O)c2ccccc2)CCC1	759450499	RFYYUUJTIRVIHB-UHFFFAOYSA-N	318.373	1.961	50	20	DDGD	
C=CCNC(=S)NNC(=O)C1(C(=O)OC(C)(C)C)CCC1	854185917	PQVIIPLOOAPHIZ-UHFFFAOYSA-N	313.423	1.180	50	20	DDGD	
CCn1ccnc1C=NNC(=O)[C@@H](C)CN1CCCCCC1	755589142	YYHOIBYCUCQQBE-AWEZNQCLSA-N	305.426	1.865	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C1C[C@@H](C)N(C2CC2)C1	753954429	AXTMTGRHUXMAFX-GFCCVEGCSA-N	317.389	1.803	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)c2cc(C)cs2)C1(C)C	858273809	HPQZHAIUKIJRMN-QWRGUYRKSA-N	311.407	1.814	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cc2nn[nH]c2cc1F	753984382	MRSHOFNGGAQVPG-UHFFFAOYSA-N	316.252	1.762	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)N[C@@H]2COC[C@@H]2C)c1	925991790	PNTWQRPUVGTJHE-QWHCGFSZSA-N	321.377	1.048	50	20	DDGD	
COCC(=O)NN=Cc1cn(-c2ccc(F)cc2Cl)nn1	755772893	NIFZAXOQLLZWGL-UHFFFAOYSA-N	311.704	1.156	50	20	DDGD	
Cc1csc(C=NNC(=O)c2ccc3c(c2)OCCO3)n1	755627257	HVQGQALDYUNYIG-UHFFFAOYSA-N	303.343	1.987	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc2c(c1)CCN2C	752732787	UDLBXGCNFLMIJL-LBPRGKRZSA-N	305.378	1.181	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)C(=O)NNc1cc(F)cc(Cl)c1	855618930	WTCDEJJTKYURMZ-ZETCQYMHSA-N	308.762	1.603	50	20	DDGD	
C[C@H](O)CNc1cc(NC[C@]2(C)C[C@H]2Br)ncn1	856788048	UMOYDDDQJWTGTR-SBMIAAHKSA-N	315.215	1.855	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H]2CCCN2C=O)cc1	854206234	KHRHJAKNXRRQIM-CQSZACIVSA-N	317.389	1.366	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)C1CN(C2CCCCC2)C1)C1CC1	855096780	YSFWTFRZSFANCV-LLVKDONJSA-N	324.494	1.545	50	20	DDGD	
CCc1cc(CNC(=O)NC[C@@]2(C)C[C@H]2Br)n[nH]1	856835706	VNZRRRLOQRKNTB-ZYHUDNBSSA-N	315.215	1.945	50	20	DDGD	
O=C(NCC[C@H]1C[C@H]2CC[C@H]1C2)NNC(=O)c1cccc(F)n1	852041819	RFZANPCCQBMSET-SRVKXCTJSA-N	320.368	1.991	50	20	DDGD	
COC(=O)N1CCC(C(=O)NNc2cccnc2Cl)CC1	854929962	IVODKVFLEVEHJV-UHFFFAOYSA-N	312.757	1.657	50	20	DDGD	
COC1CC(C(=O)NNC(=O)c2ccc(Cl)cc2F)C1	859829271	ALWBTMLTYYYMCH-UHFFFAOYSA-N	300.717	1.665	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)C1(C(=O)NC2CC2)CCC1	856093721	NMAUOBUWRUDBAO-UHFFFAOYSA-N	308.769	1.627	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)c2cnn(C)c2)C[C@H]1C	758109714	KDNONEPWALVYDZ-ZWNOBZJWSA-N	306.366	1.505	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)[C@@H]1CC=CCC1	855829126	GVMQDZSAQWCPHF-GFCCVEGCSA-N	309.410	1.433	50	20	DDGD	
C=CCCOCC(=O)NNC(=O)c1ccc(Cl)cc1OC	920433445	DVSAQKKRMFHVEX-UHFFFAOYSA-N	312.753	1.702	50	20	DDGD	
O=C(NN=Cc1sc(Cl)nc1Cl)N1CCOCC1	755672499	MKBUAHGEHUIWKA-UHFFFAOYSA-N	309.178	1.826	50	20	DDGD	
COc1cccc(NNC(=O)NCC2SCCS2)n1	852665155	BYWNJLJMTMHYCW-UHFFFAOYSA-N	300.409	1.522	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NNC(=O)C1CCCC1	753357667	VLRDRVUIVYPTTE-UHFFFAOYSA-N	318.377	1.171	50	20	DDGD	
COc1cncc(C=NNC(=O)[C@@H](C)CN2CCC(C)CC2)c1	853279491	SCPODXYDHYRTES-AWEZNQCLSA-N	318.421	1.908	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cnn(CC(C)C)c1CC	757777529	XHYUWBBLZUEYCN-UHFFFAOYSA-N	311.386	1.291	50	20	DDGD	
CC[C@@H](C)NC(=O)COC(=O)/C(C#N)=C/c1ccc(O)cc1	754535695	IFPGYNLXDOQUHJ-KAQJVSAMSA-N	302.330	1.757	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCCc2nccs2)n1	857459369	KNIUXQBGIXIXAQ-UHFFFAOYSA-N	307.379	1.716	50	20	DDGD	
Cc1ccc(F)c2c1NC(=O)C2=NNC(=O)CC(F)(F)F	750935172	XPPFBZFDUUFBNT-UHFFFAOYSA-N	303.215	1.859	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(Cl)cn1)[C@@H](C)S(C)(=O)=O	856091127	FTRBIVFBLKNRGC-JGVFFNPUSA-N	305.787	1.247	50	20	DDGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC(C(=O)NCCO)CC1	750795740	RJCNUMYUTRVCEE-BNCCVWRVSA-N	317.364	1.511	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)CC2CC2)c(F)cc1C#N	861264192	ATRBYKVKSCSWOF-UHFFFAOYSA-N	306.297	1.659	50	20	DDGD	
CC[C@@](C)(NC(=O)NNC(=O)c1cnn(C)c1)C(F)(F)F	933515235	ILNQVWPDPISVMG-SNVBAGLBSA-N	307.276	1.095	50	20	DDGD	
C[C@H](CN1CCCCCC1)C(=O)NN=C1CCS(=O)CC1	761803470	BWVUVSXIOGWVGI-ILRUXTBWSA-N	313.467	1.513	50	20	DDGD	
COc1ccc(/C=C/C(=O)NN[C@@H](C)C(F)(F)F)cc1O	862315736	FDEQJKIULGHWHN-JQTRYQTASA-N	304.268	1.986	50	20	DDGD	
CC(C)[C@H](C(=O)N1CC=C(C#N)CC1)N1C[C@@H](C)O[C@H](C)C1	767178749	VYKHGVMPCGPMFY-IIAWOOMASA-N	305.422	1.802	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H]1CCO[C@@]2(CCSC2)C1	769235954	LBBORGVVLIOGBM-FZMZJTMJSA-N	315.439	1.418	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cc2n(n1)CCCO2	762145713	XXTSWYIUQXRYOJ-UHFFFAOYSA-N	303.278	1.331	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(NC(C)=O)c(F)c1	765253897	VZYASDSWCKOEKS-UHFFFAOYSA-N	310.329	1.528	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccc2c(c1)OCO2	763484306	GYXNOBMERHRSKY-UHFFFAOYSA-N	303.278	1.363	50	20	DDGD	
Cn1cc(C(=O)NN=C2CC[C@H](NC(=O)OC(C)(C)C)C2)cn1	863093798	BGTHTNZKJCIBHG-NSHDSACASA-N	321.381	1.583	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CCc2cccnc2Cl)n[nH]1	869018176	HCRMLUVZEQCQMG-UHFFFAOYSA-N	321.768	1.089	50	20	DDGD	
COCCOC1CN(C(=O)[C@@H](Br)C(C)(C)C)C1	768225920	XEIDRZBJYBHUSA-SNVBAGLBSA-N	308.216	1.670	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c1O	863861318	QRNUYJFAUDDJEY-QYTUQVAYSA-N	322.361	1.221	50	20	DDGD	
C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C/C=C\C#N)C1=O	763299418	ITEBTMZKJWWEHY-SFAKSCPVSA-N	300.274	1.442	50	20	DDGD	
Cc1ccc(C)c(-c2cc(C(=O)NNC(=O)[C@@H](C)C#N)n[nH]2)c1	768270076	VHTKYOPHJNXUQG-NSHDSACASA-N	311.345	1.614	50	20	DDGD	
Cc1cccc2c1[C@@H](C)CC2=NNC(=O)[C@@H]1CCS(=O)(=O)C1	766694875	VNMHLRDPEZYDNU-NWDGAFQWSA-N	320.414	1.757	50	20	DDGD	
Cc1cccc(-c2n[nH]cc2C=NNC(=O)[C@@H]2CCC(=O)N2)c1	863148143	UTJMWGFXVGKLEU-ZDUSSCGKSA-N	311.345	1.114	50	20	DDGD	
CCn1nc(C=NNC(=O)[C@@H](C)OCCOC)c2ccccc21	769790502	LVAVTILFVDCMIW-GFCCVEGCSA-N	318.377	1.558	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OC[C@H]1CC2(CC2)C(=O)O1	763195572	LQGBQXHTZURBAY-WEKMIXOTSA-N	313.309	1.938	50	20	DDGD	
CCn1nncc1CNC(=O)[C@H](Br)C(C)(C)C	862362050	RSYYURKRVHBVAS-VIFPVBQESA-N	303.204	1.724	50	20	DDGD	
COc1cccc([C@@H](O)C(=O)NN=c2cc[nH]cc2Cl)c1	768451824	KUNWWMDMCKBGJT-CYBMUJFWSA-N	307.737	1.342	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1ccoc1Cl	768962610	JQXQRYMKQJJBDF-QMMMGPOBSA-N	316.741	1.672	50	20	DDGD	
C[S@](=O)Cc1ccccc1NC(=O)NNC(=O)C1CCCC1	762902429	VUVFTEXQNWZGKR-QFIPXVFZSA-N	323.418	1.908	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCC(=O)[C@H]1CCCOC1	769117644	YAYLRBMSYNCWFI-JGWKKKPCSA-N	315.325	1.838	50	20	DDGD	
COCCOCC(=O)NN=C1Cc2[nH]c3ccccc3c2C1	872400685	OVYPGJMGBNSJIJ-UHFFFAOYSA-N	301.346	1.402	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC2(N)CCCCC2)cc1	1118029114	OXDFUAXKXRWSDX-UHFFFAOYSA-N	320.393	1.301	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)C2(COC)CC2)cc1	779170685	XGHSKUJHSDPZCE-UHFFFAOYSA-N	323.418	1.830	50	20	DDGD	
C[C@@H]1CN(C[C@@H](C)C(=O)NN=CC2CCN(C)CC2)C[C@@H](C)O1	872337137	UXGRUZPXEVRUEV-RBSFLKMASA-N	324.469	1.176	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)nn1C	1116293302	MYZWBSNRMCADQK-UHFFFAOYSA-N	321.768	1.704	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(c2cccc(F)c2)CC1	772134246	GFCBQXGQOUWIIW-SNVBAGLBSA-N	322.336	1.346	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(CCOC)CCCC1	772188241	ONQVWTYVNHCSFY-NSHDSACASA-N	314.382	1.072	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)COC2(C)CCC2)cn1	874954186	PSQPUJPZKVXYBP-UHFFFAOYSA-N	324.406	1.367	50	20	DDGD	
Cn1cc(NC(=O)C(=O)NNc2nccc3sccc23)cn1	1116703170	HKSBLXLXCNILJO-UHFFFAOYSA-N	316.346	1.112	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cccc(Cl)c1O	775811040	MDWNKRVJPVXBBZ-UHFFFAOYSA-N	319.839	1.518	50	20	DDGD	
COc1cc(C)ccc1CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C	1118123855	RFKUECBIIWCZCI-AAEUAGOBSA-N	321.377	1.259	50	20	DDGD	
O=C(NNC(=O)c1ccc(OC(F)F)cn1)NC1CCCC1	772507905	CZSZPVHCRTUWAW-UHFFFAOYSA-N	314.292	1.570	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CCO[C@H](C(F)F)C2)c1	1119007540	KDABIXKNKCLHAE-QMMMGPOBSA-N	319.333	1.377	50	20	DDGD	
CC(CN1Cc2ccccc2C1)=NNC(=O)C[n+]1ccccc1	1116872018	WANNRKMLBDUUHG-UHFFFAOYSA-O	309.393	1.482	50	20	DDGD	
C[C@@H]1CCN(CCNC(=O)NNc2ccc(C(C)(C)C)nn2)C1	1119982309	ICYGXKSNJBUDAD-GFCCVEGCSA-N	320.441	1.742	50	20	DDGD	
O=C(CC1(N2CCOCC2)CCCC1)NNc1ccc(F)cn1	874650577	ZTHQMBJFCYUPMT-UHFFFAOYSA-N	322.384	1.699	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cc3ccccc3o2)nn1C	773265673	MQROTFGZNOAJGI-UHFFFAOYSA-N	314.301	1.250	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCC(c2ccsc2)CC1	776882118	LJIKIMWSCZQLGX-LLVKDONJSA-N	309.435	1.873	50	20	DDGD	
CNC(=O)c1ccc(C(=O)NNc2cc(Cl)ccn2)cn1	778452963	GYGAEFLCXDSGQW-UHFFFAOYSA-N	305.725	1.247	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](F)c1ccccc1	772362939	GPAIYYVYTNDBGB-FZMZJTMJSA-N	324.352	1.822	50	20	DDGD	
O=S(=O)(CCCCl)N1CCC[C@@](O)(c2ccccc2)C1	882442792	SSSDMJXMHZULMN-AWEZNQCLSA-N	317.838	1.929	50	20	DDGD	
CCC[C@@H](NC(=O)NNC(=O)C1CCOCC1)c1ccccn1	883327867	HPTYMFZGGXICQO-CQSZACIVSA-N	320.393	1.680	50	20	DDGD	
CC(C)CSCCCNC(=O)NNC(=O)C1CCOCC1	883537577	WTLKUTLBMFSQCE-UHFFFAOYSA-N	317.455	1.523	50	20	DDGD	
O=C(CCN1C(=O)CCC1=O)NNc1ccc(Cl)cc1F	885110144	QJEPJKJPIYIKEH-UHFFFAOYSA-N	313.716	1.461	50	20	DDGD	
CC(=NNC(=O)C(F)F)c1cccc(OCC(=O)N(C)C)c1	782234090	BMXSDQSDUHPBNI-UHFFFAOYSA-N	313.304	1.259	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCc2ccc(C(=O)OC)cc21	889454165	PCUSMJYBOVAISG-JLHYYAGUSA-N	300.314	1.806	50	20	DDGD	
CCn1nccc1NC(=O)C(=O)NNc1cccnc1Cl	784842588	YQYYDRHOPRRDCM-UHFFFAOYSA-N	308.729	1.033	50	20	DDGD	
C[C@H](c1ccccc1)[C@H](O)CNS(=O)(=O)CCCCl	882418234	DBMJMHWTCBASTP-DGCLKSJQSA-N	305.827	1.699	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)OC[C@]2(C)C[C@H]2Br)C1	1123039402	NVGNSRLTNLIZHX-LOWVWBTDSA-N	318.211	1.962	50	20	DDGD	
CN(C)[C@H]1CCCC(=NNC(=O)COc2ccccc2C#N)C1	788420484	WJAMGAKXUWKTPQ-HNNXBMFYSA-N	314.389	1.913	50	20	DDGD	
O=S(=O)(CCCCl)N[C@H]1COc2ccccc2[C@H]1O	882201504	UDQQOKSKZMBVAZ-CMPLNLGQSA-N	305.783	1.029	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21	883139791	ADDQDKAZTGEROL-QKGCVVFFSA-N	321.421	1.568	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC(=O)c2cccn21)NC1CCCC1	788742473	ONYGRKZPHIPREK-LBPRGKRZSA-N	304.350	1.279	50	20	DDGD	
COc1ccc([N+](=O)[O-])c(C(=O)NNc2cccc(OC)n2)c1	780773502	ZSXCGYYRQYYWIS-UHFFFAOYSA-N	318.289	1.764	50	20	DDGD	
COC(=O)CCC(=O)COC(=O)/C(C#N)=C/c1ccc(O)cc1	784022577	TZCIPRAICVFLKC-XYOKQWHBSA-N	317.297	1.365	50	20	DDGD	
COc1ccc2c(c1)CCN(C(=O)NNC(=O)C(C)(C)C)CC2	784076949	ACQRLYLOVSPQGN-UHFFFAOYSA-N	319.405	1.883	50	20	DDGD	
CO[C@H]1CCCN(CC(=O)NNC(=O)c2ccc(C)cc2)CC1	783014377	PIQDUGBTNULPTG-HNNXBMFYSA-N	319.405	1.257	50	20	DDGD	
CN1CC[C@H](C(=O)NNC(=S)NC(C)(C)C)c2ccccc21	899996893	XSMVSLSTYAPKBS-LBPRGKRZSA-N	320.462	1.904	50	20	DDGD	
Cn1cnc(CNC(=O)NNC(=O)C(C)(C)c2ccccc2)c1	898629544	OKQKSDLLPBBLHZ-UHFFFAOYSA-N	315.377	1.228	50	20	DDGD	
COC(=O)NNC(=O)[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1	891771381	QXBXDMGJRHRXGA-INIZCTEOSA-N	322.361	1.788	50	20	DDGD	
CN(NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1	783432796	FFYCZLBYVJENRQ-UHFFFAOYSA-N	314.301	1.701	50	20	DDGD	
Cn1cc(Cl)cc1C(=O)NNc1ccc(-n2ccnc2)nn1	788176763	BCXBUPXHMAZNKX-UHFFFAOYSA-N	317.740	1.411	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2cc(F)cc(Cl)c2)C(=O)O1	896371696	LVXFDLNHKRYQOQ-WKEGUHRASA-N	301.705	1.809	50	20	DDGD	
Cc1cccnc1NNC(=O)CCNC(=O)c1ccc(F)cc1	791224906	JOBLUDITDIQLHK-UHFFFAOYSA-N	316.336	1.792	50	20	DDGD	
CCc1cncc(C(=O)NNC(=O)Cc2ccccc2OC)c1	790573236	NGAWFLFPUPSEOQ-UHFFFAOYSA-N	313.357	1.656	50	20	DDGD	
Cc1cc(NNC(=O)CCCn2nc(C)cc2C)nc(C)n1	895154513	STLZISOARFZNIV-UHFFFAOYSA-N	302.382	1.830	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CC[C@@H]1CCCCO1	790066126	YIITWCOAPPXVTG-LBPRGKRZSA-N	316.398	1.272	50	20	DDGD	
Cc1cc(C)n([C@@H](C)CC(=O)NNC(=O)NCC(F)(F)F)n1	798314550	QGHPJDMPLQNFFO-VIFPVBQESA-N	321.303	1.344	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)N2CCOCC2)[C@H](n2cncn2)C1	794500303	XKJKQEFYERZBPP-WCQYABFASA-N	306.370	1.037	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1sc(CC(C)C)nc1C	798304981	GHVRVQSSECCBRW-UHFFFAOYSA-N	312.464	1.945	50	20	DDGD	
C=CCOc1cccc(C=NNC(=O)N2CCN(C)CC2)c1	790181297	KMKPNNAPJMPTGV-UHFFFAOYSA-N	302.378	1.542	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=C(Cc1ccccc1)C(F)F	794455696	FBUUODOHHBXYOD-UHFFFAOYSA-O	304.320	1.954	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2cnc3c(c2)c(C)nn3C)n1	794567406	OJTOEYDOGNISRC-UHFFFAOYSA-N	308.345	1.744	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCC[C@H](c2ccnn2C)C1	790294501	RPPKYUSAQIGJOF-STQMWFEESA-N	322.409	1.601	50	20	DDGD	
COCc1ccc(C(=O)NNc2nncc(N)c2Cl)cc1	1322655804	OYUXJUFSMFCOHV-UHFFFAOYSA-N	307.741	1.616	50	20	DDGD	
CN(C[C@H]1C[C@@H](O)C1)S(=O)(=O)c1ccc(CCCl)cc1	703738060	GZLKZOTUWFISHZ-BETUJISGSA-N	317.838	1.859	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2nncc(N)c2Cl)c1C	1324009720	WVFXHJQSPCXZLT-UHFFFAOYSA-N	309.761	1.302	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)c2n[nH]c3c2CCCC3)o1	1320147953	QCCYNQLQGPRYCG-UHFFFAOYSA-N	302.334	1.194	50	20	DDGD	
O=C(CCc1cnccn1)NNc1cncc(Br)c1	1322418276	QZEHUPKUIGSTEC-UHFFFAOYSA-N	322.166	1.710	50	20	DDGD	
Cc1cccc2c1CC[C@@H]2NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	1329243432	FXKIRVYDLFDQLC-LNSITVRQSA-N	317.389	1.738	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)Nc2nocc2C)c1	1320138742	VEPVJQVPZIXGQU-UHFFFAOYSA-N	318.333	1.832	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2[nH]c(C)cc2C)cc1	1321738802	DYCLCPFFFHITSG-UHFFFAOYSA-N	314.345	1.340	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Nc2nocc2C)cc1OC	1325360160	OODDHBUWRSBASM-UHFFFAOYSA-N	320.305	1.467	50	20	DDGD	
CC1(CCNS(=O)(=O)c2ccc(CCl)cc2)OCCO1	715978689	ZVKCJKSIFXBEIQ-UHFFFAOYSA-N	319.810	1.857	50	20	DDGD	
Cn1cc(N2CC[C@@H](NC(=O)NNc3ccccc3)C2)cn1	1339221417	SNAFKXADHAITKA-CYBMUJFWSA-N	300.366	1.325	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1cccc(COC(C)(C)C)c1	1336678108	CSTMEWZJDPPQEK-UHFFFAOYSA-N	307.350	1.108	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2[C@H](C)O[C@H](C)[C@@H]2C)cc1	1331498840	OXBCSVRSSNRGMF-MIJXAVMKSA-N	306.362	1.516	50	20	DDGD	
CC(C)c1nnc2n1CCN(C(=O)NNC(=O)C(C)(C)C)[C@@H]2C	1341531406	BVEFHKSDAQVZMK-SNVBAGLBSA-N	322.413	1.565	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C[C@H](C)O2	1348224169	DZSMWOJCTJRYLL-UWVGGRQHSA-N	319.361	1.142	50	20	DDGD	
C[C@]1(COC(=O)CCN2CCCC2=O)C[C@@H]1Br	1348961704	NWUTZGBXINXXHP-JOYOIKCWSA-N	304.184	1.716	50	20	DDGD	
O=C(NCCCNC1CC1)NNc1ccc(F)c(C(=O)O)c1	1608444641	NKZJELXWMGQNDM-UHFFFAOYSA-N	310.329	1.292	50	20	DDGD	
CCOc1ccc(C(CC)=NNC(=O)C(=O)O)cc1OCC	1605684077	PLAIEXOSIJZLEF-UHFFFAOYSA-N	308.334	1.799	50	20	DDGD	
N#Cc1ccc(NNC(=O)Cn2ccc(C(=O)O)n2)cc1Cl	1608209191	ZVMRWKLLBINOOS-UHFFFAOYSA-N	319.708	1.250	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)Nc2cccc(C(=O)O)c2)cc1	1608208920	RTDVNPXEQRYBHU-UHFFFAOYSA-N	324.296	1.338	50	20	DDGD	
O=C(O)c1cc2n(n1)CCCC2=NNC(=O)[C@H]1CCCS1	1608866562	KKPVLOIDJXEFLA-LLVKDONJSA-N	308.363	1.091	50	20	DDGD	
O=C(Cc1ccccc1CO)NNc1cccc(-c2nn[nH]n2)c1	1606603911	DORWGMZMGJPBDA-UHFFFAOYSA-N	324.344	1.045	50	20	DDGD	
O=C(O)[C@@H](C(=O)NNc1ccc([N+](=O)[O-])cc1Cl)C1CC1	1605898460	VFUDDNJZLJLUIO-SNVBAGLBSA-N	313.697	1.802	50	20	DDGD	
CO[C@@H]1CCCC[C@@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1	1605030878	QBLQMQVNPZYVGE-QWHCGFSZSA-N	316.365	1.515	50	20	DDGD	
CC(=NNC(=O)NC(C)C)c1ccc(-c2nn[nH]n2)cc1Cl	1609061032	XNWNUJAXUVXZKZ-UHFFFAOYSA-N	321.772	1.952	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(C(=O)O)n2C)cc1F	1607731984	MYDNRIYESOCLEF-UHFFFAOYSA-N	319.292	1.246	50	20	DDGD	
Cc1ccc(NNC(=O)Cn2cc(C(=O)O)nn2)c(Cl)c1	1600461869	ZRLBKDBURYHQRR-UHFFFAOYSA-N	309.713	1.081	50	20	DDGD	
C[C@H](C(=O)O)C(=O)NNc1ccc(Br)c(F)c1	1602806352	ITFQMWKZVDGZCU-YFKPBYRVSA-N	305.103	1.752	50	20	DDGD	
Cc1ccc(CC=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)cc1	1549318041	ZVTYDGKXEZTRIC-JKSUJKDBSA-N	301.390	1.503	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)cc1)[C@H]1CN2CCC[C@@H]2CO1	1549314559	IWFMFLZCGXAUKZ-ZIAGYGMSSA-N	307.781	1.653	50	20	DDGD	
C#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Cl)C2	1804183228	NDLSEAAMYBKJHE-NOHGZBONSA-N	300.761	1.572	50	20	DDGD	
O=C(NN=C1CCCc2cccnc21)[C@H]1CN2CCC[C@H]2CO1	1549321052	PPHNYURZMSIKSZ-DZGCQCFKSA-N	314.389	1.101	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCNC1)c1cc2c(s1)CCCCC2	1574333401	FGGNRDMHIOBHKU-NSHDSACASA-N	307.419	1.388	50	20	DDGD	
Cc1cnc(C(=O)NNc2ccc(-c3nn[nH]n3)c(Cl)c2)o1	1592290292	KDJVPYDNQCQVLP-UHFFFAOYSA-N	319.712	1.573	50	20	DDGD	
C[C@@H](c1cccc(-c2nn[nH]n2)c1)N(C)S(=O)(=O)CCl	1590046694	MHBXBXLPXDZTMP-QMMMGPOBSA-N	315.786	1.386	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC2CCC(C(=O)O)CC2)cn1	1594537962	NFWSENIKPIYOEI-WUXMJOGZSA-N	302.334	1.087	50	20	DDGD	
C[C@](CC(=O)O)(NS(=O)(=O)CCCCl)c1ccccn1	1592329636	JXJWYBOQNIPOAT-GFCCVEGCSA-N	320.798	1.320	50	20	DDGD	
Cc1cc(=NC[C@]2(C)C[C@H]2Br)c(-c2nn[nH]n2)c[nH]1	1592041345	FGKCGWIEMDNJDL-PWSUYJOCSA-N	323.198	1.577	50	20	DDGD	
Cn1ncc(C(=O)O)c1C=NNC(=O)c1cccc2ncccc12	1776043185	TXNYDHGIPKLITC-UHFFFAOYSA-N	323.312	1.430	50	20	DDGD	
COCCCNC(=O)NN=Cc1c[nH]c2c(C(=O)O)cccc12	1776039717	WRTGMRFTLOGSSW-UHFFFAOYSA-N	318.333	1.536	50	20	DDGD	
COc1cc(C=NNC(=O)c2cccc(C(=O)O)c2)ccc1O	1776094749	JWPRVCXALSHNCW-UHFFFAOYSA-N	314.297	1.863	50	20	DDGD	
CC(=NNC(=O)c1ccc(O)nn1)c1csc(C(=O)O)c1	1776047792	JPYOCNKZVFBZPG-UHFFFAOYSA-N	306.303	1.096	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1F	151212227	VDGYJOAZUXYPER-SSDOTTSWSA-N	316.716	1.439	50	20	DDGD	
CC(C)CO[C@H]1CCN(C(=O)NNC(=O)Cc2cccnc2)C1	155292775	MVTBOAXDCMHYDH-AWEZNQCLSA-N	320.393	1.112	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)c2ccc(CCCl)cc2)CCO1	36324927	DGAALKJOTRPVPO-LLVKDONJSA-N	303.811	1.877	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)c2ccc(CCCl)cc2)CC[C@@H]1O	167047215	LKZNPEYGIBMJCR-FZMZJTMJSA-N	317.838	1.859	50	20	DDGD	
CC[C@H](NS(=O)(=O)c1ccc(CCl)cc1)C(=O)OC	311634241	WEENICRZVJWYNV-NSHDSACASA-N	305.783	1.655	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(-n2cccc2)cc1	6510912	SHLMFJCSUYKWNN-UHFFFAOYSA-N	300.387	1.772	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1ccc(F)c(F)c1F	7386745	SLGQNSWQGJUQRU-UHFFFAOYSA-N	310.297	1.460	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCCc2cccc(O)c2)c1	105230056	YTAWUDVJKRYOHI-UHFFFAOYSA-N	324.340	1.451	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc(Cl)s1	8194454	VHXJTSURZIEEBX-UHFFFAOYSA-N	321.855	1.889	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)CCNC(=O)c1ccsc1	103199111	CRUYCFDEPHHQOZ-UHFFFAOYSA-N	311.407	1.452	50	20	DDGD	
CC(=O)Nc1ccc(CC(=O)NNC(=O)CC(C)(C)C)cc1	103199019	JAVNEHGIPOPKED-UHFFFAOYSA-N	305.378	1.771	50	20	DDGD	
CCN(CCNC(=O)c1c(C)nn(CCCl)c1C)C1CC1	118784286	OGSZLHWAPRHUGD-UHFFFAOYSA-N	312.845	1.953	50	20	DDGD	
Cc1nccn1CCCC(=O)NNC(=O)CCc1ccccc1	101669948	VDTKYIVAETXKOQ-UHFFFAOYSA-N	314.389	1.752	50	20	DDGD	
O=C(NNc1ncccc1Cl)c1n[nH]c(=O)c2ccccc12	114886374	NNQPHYPZZPEUBR-UHFFFAOYSA-N	315.720	1.728	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCC(F)(F)F)cc1	173068142	UYVQFXSHZWNTFP-UHFFFAOYSA-N	304.268	1.864	50	20	DDGD	
COc1ccc(OCC(=O)NNc2nccnc2Cl)cc1	114893546	JQEZLCXAKQQNHA-UHFFFAOYSA-N	308.725	1.661	50	20	DDGD	
CCC[C@@H](C)CC(=O)NNC(=O)Cc1cn2ccccc2n1	173886031	GPNWZIIJITZZIH-GFCCVEGCSA-N	302.378	1.851	50	20	DDGD	
CN(C[C@H]1CCCOC1)C(=O)NNC(=O)c1ccc(C#N)cc1	107741573	FWQQKDZGRUVZJX-CYBMUJFWSA-N	316.361	1.271	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC=CCC1)c1ccc2c(c1)OCCO2	53625650	SJRRXPDOBILBDS-LLVKDONJSA-N	302.330	1.575	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(CCO)C1CCCCC1	111303770	MLFMITUMPWOZQQ-ZDUSSCGKSA-N	313.442	1.195	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCCC2)NNC(=O)NCC1CC1	65193358	KCYAXUJFUQKMLD-UHFFFAOYSA-N	301.390	1.848	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCc2ccc3ccccc3c2)cn1	118072199	XASZJXQFOJOQME-UHFFFAOYSA-N	323.356	1.718	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCS[C@@H](C)[C@H]1C	118415958	DJYZJNBCESRWOO-WOPDTQHZSA-N	301.456	1.394	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)CC2CCOCC2)cc1	173407743	XWRGVKMEGDMRAQ-UHFFFAOYSA-N	320.393	1.722	50	20	DDGD	
Cc1nc2c(s1)[C@@H](N(C)CC(=O)NNC(=O)C1CC1)CCC2	112982023	ZZJSKSNDMHMQOK-LBPRGKRZSA-N	322.434	1.318	50	20	DDGD	
C=CCc1cc(C(=O)NNC(=O)NC2CC2)cc(OC)c1OC	64429103	ATRWLPFHQCWMDK-UHFFFAOYSA-N	319.361	1.539	50	20	DDGD	
CC1=C(C(=O)NNC(=O)CNc2ccc(C)cc2C)CCCO1	129446299	VHLQSJIBVPTTRO-UHFFFAOYSA-N	317.389	1.947	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)N1CCc2c(F)cccc21	184189083	HEVFZIMWONPSOM-UHFFFAOYSA-N	321.352	1.298	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NNC(=O)C1CCCCCCC1	172821194	ZLKOMZUKZXOHSS-UHFFFAOYSA-N	321.377	1.517	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)C(=O)NC2CC2)s1	124383513	YWMVDPMBIKSIDU-UHFFFAOYSA-N	309.391	1.085	50	20	DDGD	
CS(=O)(=O)c1cc(C(=O)NNc2cccc(C#N)c2)cs1	128315625	OMMVDYXQAMDKPA-UHFFFAOYSA-N	321.383	1.780	50	20	DDGD	
CCc1nc(-c2ccc(C(=O)NNc3ncccn3)cc2)n[nH]1	121209525	VJMCUGJLWPDPTJ-UHFFFAOYSA-N	309.333	1.581	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(C)n(-c2cc(C)on2)c1C	122921826	SSPJYKVMPZNKQP-UHFFFAOYSA-N	305.338	1.354	50	20	DDGD	
CCNC(=O)CCC(=O)NNC(=O)c1cccc2ccccc12	122267737	LQKOFWWYNLTTLR-UHFFFAOYSA-N	313.357	1.517	50	20	DDGD	
O=C(C[C@@H]1C=CCCC1)NNC(=O)[C@@H]1COc2ccccc2O1	186039338	CLELTFJDRHSLML-DOMZBBRYSA-N	316.357	1.720	50	20	DDGD	
COCCCNC(=O)CN(C)/C(=C/C#N)c1ccc(F)cc1	78687535	YXGSPDYBLQVLDA-OVCLIPMQSA-N	305.353	1.775	50	20	DDGD	
Cc1ccc(NNC(=O)Cn2nc3n(c2=O)CCCCC3)cc1	127993447	HYHSOIBWWFEBRX-UHFFFAOYSA-N	315.377	1.223	50	20	DDGD	
C[C@H](C#N)Oc1ccccc1NC(=O)NNC(=O)c1ccc[nH]1	184167148	VXYKUPODFPPVIR-SNVBAGLBSA-N	313.317	1.772	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)N1CCc2c(Cl)cccc21	124655979	FGHXKEYCZOMSOW-VIFPVBQESA-N	323.780	1.423	50	20	DDGD	
CC(C)OCCNC(=O)NNC(=O)c1ccc2ccccc2n1	184119324	YISLVRMTRVXTJB-UHFFFAOYSA-N	316.361	1.604	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CCc1nc(-c2ccco2)no1	73965598	GNMMSZMWRCURAQ-UHFFFAOYSA-N	322.321	1.818	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1sccc1OC(F)F	186154662	MYWAFIIDGRRQTR-UHFFFAOYSA-N	316.289	1.076	50	20	DDGD	
COC(=O)c1occc1/C=C(\C#N)C(=O)NCCCOC(C)C	73116480	JSALASZNOSLCCD-UKTHLTGXSA-N	320.345	1.904	50	20	DDGD	
CCOc1cccc2[nH]cc(CC(=O)NNC(=O)N(C)C)c12	187429463	YZOCPOGCZIQTRK-UHFFFAOYSA-N	304.350	1.412	50	20	DDGD	
CCOc1cnc(C(=O)NNc2cccc([N+](=O)[O-])c2)cn1	187070635	KMZVWYVRUYWUSD-UHFFFAOYSA-N	303.278	1.540	50	20	DDGD	
Cc1nc(CC(=O)NNC(=O)Cc2ccccc2F)cs1	42522590	XYBNAMGOEAVSKP-UHFFFAOYSA-N	307.350	1.523	50	20	DDGD	
CCC(CC)C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	49946536	XARUONAAOYXSTO-UHFFFAOYSA-N	324.377	1.910	50	20	DDGD	
O=C(Cc1c(F)cccc1Cl)NNC(=O)N1CCOCC1	194903949	JUIYCHWYWNKNEH-UHFFFAOYSA-N	315.732	1.095	50	20	DDGD	
COCc1ccc(NC(=O)NNC(=O)Cc2cccnc2)cc1	192520270	WLJAPZZWIMKAQE-UHFFFAOYSA-N	314.345	1.623	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCC[C@H](C)C1	136177227	YRVWYMWQDPWJLH-ZDUSSCGKSA-N	303.406	1.417	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccnn1C(C)C	135157132	UCJWTTTWVBIJDF-UHFFFAOYSA-N	316.361	1.476	50	20	DDGD	
CC(C)(C)c1ccccc1NC(=O)C(=O)NNc1cccnn1	190363151	KFBHQYIAAULPBE-UHFFFAOYSA-N	313.361	1.856	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1cnn(Cc2ccccc2)c1	195319670	NBHACUICAQIZGP-OVCLIPMQSA-N	316.386	1.687	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C1(c2ccccc2)CCOCC1	194511869	XHIHTFQKPOYIJL-UHFFFAOYSA-N	304.390	1.928	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cc2c(cc1F)NC(=O)CC2	268991025	UYKMUXZACWYRET-UHFFFAOYSA-N	307.325	1.518	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)[C@@H]1CSCCS1	267489904	WGLROUUDQHHVSF-VIFPVBQESA-N	323.403	1.423	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCCCC(=O)OC)c1ccccc1	264794162	YQTLWZXMKTZJNM-CYBMUJFWSA-N	321.377	1.464	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC[C@@H](O)C2)c1C	266971673	WXDZTRBZIWHDJX-HTRKUNOGSA-N	317.389	1.252	50	20	DDGD	
C[C@@H]1CC[C@H](CC(=O)NNC(=O)COc2ccccc2O)C1	268261109	KOYWUKRLHFFYQT-NEPJUHHUSA-N	306.362	1.745	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2CCCN2C2CCCC2)n1	269698722	PKWGVSDJJWRPNX-AWEZNQCLSA-N	303.410	1.944	50	20	DDGD	
CC(C)C[C@@H](C)NC(=O)NNC(=O)[C@H]1COc2ccccc2O1	269768235	ATTBBWHRBSYQBI-BXUZGUMPSA-N	321.377	1.591	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C(C)(C)C	265206627	DHKXKKPKZPBYRR-GWCFXTLKSA-N	306.362	1.656	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)n1	268115817	DSGGFCOERQPSNK-TVQRCGJNSA-N	304.398	1.202	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H]2CCCC[C@@H]2OC)n1	266954629	LBBKLEMRAKMCMQ-QWRGUYRKSA-N	309.370	1.377	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1ccc(OCCO)c(OC)c1	270293719	XFVCMOJMNALGKQ-ACCUITESSA-N	320.345	1.126	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@H]2CCO[C@H](C)C2)n1	271985297	KDIOCCCSIFUKCD-NEPJUHHUSA-N	307.398	1.581	50	20	DDGD	
C[C@@](O)(CC(=O)NNC(=O)CCCc1ccccc1)C1CC1	270066055	QHPFGSQDEXSRCY-QGZVFWFLSA-N	304.390	1.708	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCC(=O)c1ccc(F)cc1F	272705307	VXVUKJBZMQGMKR-UHFFFAOYSA-N	313.304	1.620	50	20	DDGD	
COCC[C@@H](NC(=O)NNC(=O)c1ccc(C)o1)c1ccco1	272522471	KANXPNNUTYGFSU-LLVKDONJSA-N	321.333	1.903	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H](C)c2nnc(C)s2)n1	274130123	CHWQMMWZWPMPGC-LURJTMIESA-N	309.355	1.032	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@H]1CCCc2cccnc21	277975439	NVZPVNCYOBOULU-LBPRGKRZSA-N	308.345	1.688	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)[C@@H]1CCc2cn[nH]c2C1	278472668	NYMLKKWYVSFMMI-SNVBAGLBSA-N	308.345	1.601	50	20	DDGD	
CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)CNc1ccccc1	274981664	KFGCMMQLRYDQKY-LBPRGKRZSA-N	306.410	1.413	50	20	DDGD	
N#CCCCOc1cccnc1NC(=O)NNC(=O)CC1CC1	276050728	IMYSXNFWMHPRHO-UHFFFAOYSA-N	317.349	1.717	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)CC2(OC)CCC2)cc1	276820315	PICUBYBIUQRLSG-UHFFFAOYSA-N	321.377	1.214	50	20	DDGD	
COCCn1ccc(C(=O)NNc2cc(Cl)nc(C)n2)n1	276047609	SYXSWONTJPJKDN-UHFFFAOYSA-N	310.745	1.038	50	20	DDGD	
COCC(C)(C)CCCNC(=O)NNC(=O)c1ccccc1O	287995433	ORCIJYYSSYZTOW-UHFFFAOYSA-N	323.393	1.789	50	20	DDGD	
CCOC1CC(C(=O)NNC(=S)Nc2ccc(OC)nc2)C1	286723780	PGFPCFYIYSSHQM-UHFFFAOYSA-N	324.406	1.223	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNc1nc(-c2ccncc2)no1	282206536	OFJGRKSNEZKQCK-IQJOONFLSA-N	303.322	1.388	50	20	DDGD	
Cc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)NCC(F)(F)F	280886153	CSGKVQAFKPBNPX-UHFFFAOYSA-N	320.227	1.410	50	20	DDGD	
O=C(NNC(=O)c1ccc2cncn2c1)NC1CCCCC1	284483323	XJQHFYCKSZPIEX-UHFFFAOYSA-N	301.350	1.611	50	20	DDGD	
Cc1cccnc1CCCNC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	297526137	NZKWXXGCLWFYPU-JSGCOSHPSA-N	320.393	1.221	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)Nc1cc(C)on1	804031055	RTUPGJHUGMBXHQ-UHFFFAOYSA-N	320.305	1.223	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1cn(C2CCOCC2)nn1	290744893	NDGSNHHNLSIPCH-UHFFFAOYSA-N	319.340	1.834	50	20	DDGD	
CNc1nc(C)cc(C(=O)NNC(=O)Cc2ccccc2C)n1	807079018	BJNGEBPMLKVQKE-UHFFFAOYSA-N	313.361	1.139	50	20	DDGD	
COCC1(C(=O)NNc2cccc([N+](=O)[O-])c2C)CCOCC1	291418805	YRYNTYLIWJZYMN-UHFFFAOYSA-N	323.349	1.790	50	20	DDGD	
C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NNc1cccc(Cl)n1	293181523	YKYPLADPSHLHGE-ONGXEEELSA-N	309.801	1.844	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NNc2ccncn2)C1	296715039	TUJNVNJZJMCJKR-SNVBAGLBSA-N	322.369	1.112	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2cc(C(=O)O)c(C)[nH]2)n1	800809385	MDPXEYDXHYZIEU-UHFFFAOYSA-N	306.347	1.479	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@@H]1C[C@H]1OCC	298681604	GBYWRKQLFYXOQS-BXUZGUMPSA-N	322.361	1.037	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1c(CC)noc1C	807369151	RARHXLAYGVOJJD-UHFFFAOYSA-N	313.354	1.096	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)CCCC(=O)NC)cc1C	298235680	IFBLJUXRDWPLIC-UHFFFAOYSA-N	321.377	1.531	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@H]1CCCC12OCCO2	806825359	XVCSQELXQPYYFZ-GFCCVEGCSA-N	322.336	1.059	50	20	DDGD	
CC(=NNC(=O)COc1ccc(F)cc1)c1cn(C)c(C)n1	800808229	OBNSSRYNRXDAOL-UHFFFAOYSA-N	304.325	1.787	50	20	DDGD	
Cc1ccc(OCCNC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	297952052	WDDPMVHZSYBEMO-JSGCOSHPSA-N	321.377	1.272	50	20	DDGD	
O=C(NNc1ncncc1F)[C@H]1CCCc2c(O)cccc21	293825461	AJQCDDHGVNGDKA-NSHDSACASA-N	302.309	1.885	50	20	DDGD	
O=C(NNC(=O)[C@H]1Cc2ccccc2C(=O)O1)NC1CCCC1	299363702	TUXPKHDJOAWVDW-CYBMUJFWSA-N	317.345	1.041	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1	808074819	LJKSDVDQQYBDOM-KBPBESRZSA-N	311.426	1.025	50	20	DDGD	
CCc1cc(NNC(=O)c2cncn2C)nc(-c2ccccn2)n1	809677576	NXXCBXHMSKGSFM-UHFFFAOYSA-N	323.360	1.591	50	20	DDGD	
C=CCC(F)(F)C(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C	293547077	QVYNZQTUYCXQHN-QMMMGPOBSA-N	321.324	1.258	50	20	DDGD	
O=C(Cn1cc(Br)cn1)NCC(Cl)Cl	297075020	LROKDHACSKHGTL-UHFFFAOYSA-N	300.971	1.566	50	20	DDGD	
O=C(NCc1cccc(Cl)c1)NNC(=O)[C@H]1CCCCO1	296287511	UVSPPILRPITQMH-GFCCVEGCSA-N	311.769	1.740	50	20	DDGD	
O=C(Cc1c[nH]c2cc(F)ccc12)NNC(=O)[C@@H]1CCCCO1	295365885	JQXSBVIYOVTROU-AWEZNQCLSA-N	319.336	1.566	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)C1SCCS1	803440322	ZISXWFWCJOFSQF-UHFFFAOYSA-N	307.400	1.777	50	20	DDGD	
O=C(CCc1ccc(OC(F)F)cc1)NNC(=O)NC1CC1	299254568	UBESDCWYZOWRRP-UHFFFAOYSA-N	313.304	1.713	50	20	DDGD	
C=CCSCCNC(=O)NNc1ccc(-n2ccnc2)nn1	805049047	VSBQAHIQBQEITK-UHFFFAOYSA-N	319.394	1.208	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)[C@H](F)C(F)(F)F	290275545	PXZHBJVIQSDFHP-JTQLQIEISA-N	308.231	1.373	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2ccc3c(=O)[nH]ccc3c2)CCC1=O	803429660	IKARPSMIVBBTQK-ZYHUDNBSSA-N	313.357	1.977	50	20	DDGD	
CO[C@H](CNC(=O)NNc1cccc(NC(C)=O)c1)C(C)C	298043611	UFBBVAXJRRKGBJ-CQSZACIVSA-N	308.382	1.942	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)N[C@H]1CCN2CCCC[C@@H]12	292814881	WNFGUJBYEMPDPK-QWRGUYRKSA-N	309.801	1.988	50	20	DDGD	
C[C@@H]1CC(=O)N[C@H](C(=O)NNc2cc(F)c(F)cc2F)C1	293390402	NRBYEOZDJLUSSM-KGFZYKRKSA-N	301.268	1.462	50	20	DDGD	
O=C(NNc1cccc(F)n1)C(=O)Nc1ccc2c(c1)CCO2	807391824	LZZXNSVJVZQZBW-UHFFFAOYSA-N	316.292	1.237	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@H]2C[C@H]2OCC)cc1OC	298679341	SMISOPPXEJWDPZ-DGCLKSJQSA-N	322.361	1.280	50	20	DDGD	
O=C(NCCOc1cccc(F)c1)NNc1ncncc1F	814277796	VMJUXXACPAHAST-UHFFFAOYSA-N	309.276	1.460	50	20	DDGD	
CN1CCN(C(=O)NN=C2COc3ccc(Cl)cc32)CC1	814913659	SMAZWMSTRYEAFG-UHFFFAOYSA-N	308.769	1.394	50	20	DDGD	
O=C(NN=C1CCCC[C@H]1CCCO)C(=O)Nc1ccccn1	814869163	DJWFFOHSDYVGGD-LBPRGKRZSA-N	318.377	1.455	50	20	DDGD	
CN1CC[C@H](CNC(=O)[C@H](Br)C(C)(C)C)CC1=O	819619110	BUZVZJGVHNQIHD-ONGXEEELSA-N	319.243	1.781	50	20	DDGD	
C[C@@H](Oc1ccc(C=NNC(=O)[C@@H]2CCCS2)cc1)C(=O)O	819820047	SJMYKWFWTNRBQX-MFKMUULPSA-N	322.386	1.884	50	20	DDGD	
CC[C@H](C(=O)Nc1cccc(NC(=O)NN(C)C)c1)C(=O)OC	816407095	NKSQZZOSWOITDQ-GFCCVEGCSA-N	322.365	1.422	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)CCCC2CC2)nc2ccccc21	812452369	GKRAEMIZNMGSPU-UHFFFAOYSA-N	314.389	1.844	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2cccc([N+](=O)[O-])c2C)c[nH]1	815855472	ULECZOCWCYGEGX-UHFFFAOYSA-N	318.289	1.775	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C[C@@H](C)n2cccn2)cc1	819524975	RSJOPXWOGJLJIC-LLVKDONJSA-N	317.349	1.696	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1ncc(Cl)s1	814794878	OFWXCKZECXLIFB-UHFFFAOYSA-N	301.784	1.908	50	20	DDGD	
CSC1(C(=O)NNC(=S)NCCc2cccs2)CC1	819427202	JEURJFSDDTYFBA-UHFFFAOYSA-N	315.489	1.682	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)COc2ccccc2O)[C@H]1SC	814953496	OWKOEZVKNJRDMD-UKRRQHHQSA-N	324.402	1.784	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)CCNC(=O)C1CCCCC1	728609903	LHGWJRUWFZJOAK-UHFFFAOYSA-N	311.426	1.657	50	20	DDGD	
O=C(COc1ccccc1O)NN=C1CCC(C(=O)O)CC1	814954065	VARASWGABQXINB-UHFFFAOYSA-N	306.318	1.518	50	20	DDGD	
O=C1CC(C(=O)NNC(=O)C2CCCC2)(c2ccccc2)C1	810098134	RBAYWTASIJMNGB-UHFFFAOYSA-N	300.358	1.625	50	20	DDGD	
Cn1nncc1NNC(=O)C[C@@H](c1ccccc1)C(F)(F)F	816769351	DIOHVNMSRXEQPM-JTQLQIEISA-N	313.283	1.994	50	20	DDGD	
N#C/C(=C\c1ccccc1-c1nn[nH]n1)C(=O)NC1CCCC1	826379445	RXBHNCZIWVHTGS-FMIVXFBMSA-N	308.345	1.832	50	20	DDGD	
CCN(CCO)NC(=O)CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C	823840901	ABFMNFZBTJIWBM-RBSFLKMASA-N	300.443	1.809	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCc2cn[nH]c2)cc(C#N)n1C	820022087	AUDBPHUOQWQJML-LHHJGKSTSA-N	308.345	1.194	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1cccc(CO)c1	495721117	OYJDQYQCYGHLBU-UHFFFAOYSA-N	321.377	1.544	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(NC(C)=O)ccc1OC	494660841	YXULUQMUGNEVMM-UHFFFAOYSA-N	310.310	1.436	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNc1ncncc1Cl	495553188	JHMUCGJXBGVGED-UHFFFAOYSA-N	301.734	1.098	50	20	DDGD	
CCn1ccc(NC(=O)NNC(=O)COc2ccc(C)cc2)n1	824937976	FBDCVBBHBASIPD-UHFFFAOYSA-N	317.349	1.443	50	20	DDGD	
CC[C@H](Nc1ccccc1)C(=O)NNC(=O)CC(F)(F)F	729861330	OGEDAROAOGYKRP-JTQLQIEISA-N	303.284	1.977	50	20	DDGD	
CO[C@H]1CCC[C@@H](C(=O)NNc2nc(O)c3ccccc3n2)C1	826860844	OOZJMOYZBBAZPO-MNOVXSKESA-N	316.361	1.984	50	20	DDGD	
CN(C)CC(C)(C)CNC(=S)NNC(=O)c1ccccc1O	727064087	TYUTXMWGBXVZIB-UHFFFAOYSA-N	324.450	1.089	50	20	DDGD	
Cc1cccc2c1O[C@@H](C(=O)NNc1ccnc(N(C)C)n1)C2	825987419	KVSSXEPOROHTDR-GFCCVEGCSA-N	313.361	1.298	50	20	DDGD	
COc1ccc(NNC(=O)[C@](C)(C#N)CC(=O)O)c([N+](=O)[O-])c1	820845813	HQSKGMKRRCWEFG-ZDUSSCGKSA-N	322.277	1.051	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(C(=O)N(C)C)c(C)c1	494657993	DLYGLWDWBOHWST-UHFFFAOYSA-N	308.338	1.479	50	20	DDGD	
C=CCCNC(=O)NNC(=O)Cc1nc2ccccc2n1C	820771039	CZTSHLQPEYWMDS-UHFFFAOYSA-N	301.350	1.022	50	20	DDGD	
Cc1cccc([C@@H]2CCCN2CC(=O)NNC(=O)C(C)C)n1	828067265	GSZUWLPCAYRFGB-AWEZNQCLSA-N	304.394	1.330	50	20	DDGD	
O=S(=O)(CBr)N1CCC[C@H]1[C@H]1CCCOC1	827788977	YJZMLZQPNBXCMI-UWVGGRQHSA-N	312.229	1.560	50	20	DDGD	
CCCOc1ccc(CN2CC[C@@H](B(O)O)C2)cc1OCC	585076754	OBUPTIHEGBPHEG-CQSZACIVSA-N	307.199	1.923	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC2(CCCC2)CC1	827269206	VZRPHMVQIHQOLU-STQMWFEESA-N	309.410	1.808	50	20	DDGD	
CCOC(=O)NNC(=O)c1cccc(S(=O)(=O)C(C)C)c1	495511122	MJMKDBHHIBPNGF-UHFFFAOYSA-N	314.363	1.260	50	20	DDGD	
C[C@@H]1CC/C(=C\C(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1	494743456	ZJAAWVJTFUOKQF-MXBGMFSPSA-N	311.382	1.405	50	20	DDGD	
C[C@@]1(C(=O)NN2Cc3ccccc3C2=O)C[C@H]1Br	907292386	RJZFDCNHNHOKSG-ZWNOBZJWSA-N	309.163	1.847	50	20	DDGD	
CC(=NNC(=O)c1ccc[nH]1)c1ccc(S(C)(=O)=O)cc1	725854206	CLXHJQLOZYVLEC-UHFFFAOYSA-N	305.359	1.572	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)C1(N(C)C(=O)OC(C)(C)C)CCC1	823922996	OEUDOALOMTXSIK-NSHDSACASA-N	315.414	1.120	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1n[nH]c2c1CCCC2	826446158	BSDLAEJCJCIOQQ-UHFFFAOYSA-N	324.348	1.226	50	20	DDGD	
CCCN(CC(=O)NNC(=O)C1CC1)Cc1ccc(F)cc1	733194778	MXKMYODFRWAWFA-UHFFFAOYSA-N	307.369	1.595	50	20	DDGD	
CCCN(NC(=O)c1cn(C)c(=O)n1C)C(=O)OC(C)(C)C	908159114	FCOWKQWWNITIBL-UHFFFAOYSA-N	312.370	1.016	50	20	DDGD	
OB(O)c1ccc(CN[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)o1	585019107	BSCCLRIWVZYWFM-HOCLYGCPSA-N	319.141	1.108	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(C(F)(F)F)cnc1O	494469481	KVVBBABNWATWPQ-UHFFFAOYSA-N	308.216	1.589	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@H](O)c1ccccc1	826447572	LVUOZQUTCFHRSU-CYBMUJFWSA-N	310.317	1.043	50	20	DDGD	
C[C@]1(C(=O)N[C@H](CO)Cc2ccncc2)C[C@@H]1Br	907668357	AHLPXUIBHGMBNB-GVXVVHGQSA-N	313.195	1.275	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1cc2c(cn1)CCC2	836701236	RNZSTTOGTYVDDR-LBPRGKRZSA-N	304.350	1.292	50	20	DDGD	
O=C(Cc1cccc(C(F)F)c1)NNC(=O)[C@H]1CCCCO1	833236700	UVNCBQUAMAQSNH-GFCCVEGCSA-N	312.316	1.883	50	20	DDGD	
COCC1(CNC(=O)NNc2cncc(Cl)n2)CCCC1	838723393	NNLUIQTURLHJAO-UHFFFAOYSA-N	313.789	1.963	50	20	DDGD	
CCn1c2ccccc2c2cc(/C=C/C(=O)NCB(O)O)ccc21	585061451	XUDGIDULZZIROG-CSKARUKUSA-N	322.173	1.956	50	20	DDGD	
COC1([C@@H](C)NCC(=O)NNC(=O)c2cccc(C)c2)CCC1	839661446	VVOZLIUJAFCULZ-CYBMUJFWSA-N	319.405	1.303	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1CCNC(=O)c1cc(B(O)O)ccc1F	584947268	KHAJWBNSQLPJQQ-VXGBXAGGSA-N	307.174	1.452	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)Cc2ccc(Cl)cc2)n1	834930721	KRZHMYJZDDBNKD-UHFFFAOYSA-N	305.769	1.953	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NCc1cocn1	730825169	LGJGBIZRHCOSIP-UHFFFAOYSA-N	302.334	1.528	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)c2ccncc2)nn1-c1ccccc1	731596060	RGCLMDQJXLTNTI-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)O	736507780	ZPKPUZKZOHRLIF-NSHDSACASA-N	309.322	1.236	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc(OC)cc1	831939752	DZILVNLZPFNRMT-OLZOCXBDSA-N	305.334	1.439	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1csc(-c2ccccc2F)n1	910167764	KCCGFNUVADTQPC-SECBINFHSA-N	309.366	1.907	50	20	DDGD	
CC(=NNC(=O)Cn1nnc(-c2ccccc2)n1)c1cccnc1	915907208	QZTFVSWUORMFKI-UHFFFAOYSA-N	321.344	1.276	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1ccccc1C(C)(C)C	831478182	ZTODXLMQAFKEJQ-UHFFFAOYSA-N	300.380	1.876	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1CNC(=O)NNC(=O)COc1ccc(F)cc1	838682438	QYBOBNZRLRYFBQ-FZMZJTMJSA-N	323.368	1.827	50	20	DDGD	
CC[C@@H](C)[C@@H](C(=O)NNC(=O)c1ncon1)c1ccccc1	832825747	GGAUVFVSMLNTCE-ZYHUDNBSSA-N	302.334	1.661	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cc2c(cc1O)OCO2	917016504	UOPCYJFUHOBAOI-UHFFFAOYSA-N	317.257	1.786	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1ccccc1O	916363313	UCYPSGTXHIBBOD-LBPRGKRZSA-N	305.378	1.201	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(C2CCCCC2)[nH]n1	843979418	NXSRKAZZBUKDJO-PWSUYJOCSA-N	320.393	1.643	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1cn(C)c2ccccc12	843648512	QLSQCIFTJITNRP-AAEUAGOBSA-N	315.373	1.293	50	20	DDGD	
O=C(O)NNC(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1	740002563	VQPYBVXXBJIXLQ-UHFFFAOYSA-N	313.220	1.978	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCCN2CCNCC2)cc1	841920423	VBIYOUVFXCKCCY-UHFFFAOYSA-N	321.425	1.007	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@H]1CCN(Cc2ccccc2)C1	847391081	QBSALCXIRSLYMR-HNNXBMFYSA-N	316.405	1.249	50	20	DDGD	
CO[C@]1(C=NNC(=O)c2cc(Br)c[nH]2)CCOC1	841617384	KWVVPGVRPCWQCU-NSHDSACASA-N	316.155	1.298	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCc1ccc(Br)cc1	910164366	VLWVYZUGLHAVAG-JTQLQIEISA-N	315.211	1.726	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)Cc1csc(-c2cccs2)n1	910179752	NMKFMOCHAHWLDF-VIFPVBQESA-N	311.432	1.758	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)Cc1ccc(F)cc1Br	910161608	WUZOOOMTFKZVMF-QMMMGPOBSA-N	319.174	1.475	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1scnc1C(F)(F)F	843654446	IDTSYTOYMCHOFU-NTSWFWBYSA-N	323.296	1.348	50	20	DDGD	
Cc1ccc(-c2nc(C)c(C(=O)NN(C)C[C@H](C)O)s2)o1	910171056	RKGHDPVFGMFMFM-QMMMGPOBSA-N	309.391	1.977	50	20	DDGD	
O=C(NNC(=O)N1[C@H]2CC[C@H]1COC2)c1cc2ccccc2o1	841579672	PFSSYMBHSLGJCB-RYUDHWBXSA-N	315.329	1.650	50	20	DDGD	
COCC1(CC(=O)NNC(=O)c2c(C)nc3ccccn23)CC1	843756448	ZFJZNRUNKOYPPX-UHFFFAOYSA-N	316.361	1.220	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)CCc1ccccc1O)n1ccnc1	846634369	SHZITCSJQWUTNV-GFCCVEGCSA-N	316.361	1.320	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc2c1ccn2C	843647764	NOTIWFKXKYWQIY-WDEREUQCSA-N	301.346	1.364	50	20	DDGD	
C=Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	842590907	SRECDIVAZQSALZ-GXFFZTMASA-N	310.375	1.064	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)COc1cccc(Br)c1	910181577	AOKQRNLMGKMNSN-SECBINFHSA-N	317.183	1.172	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCCc1ccc(F)cc1	847094540	BYEAPAITVGQOGK-BXUZGUMPSA-N	308.353	1.721	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=Cc2ccnn2C)cc1	914559640	SICPNBZGZDXEPJ-LBPRGKRZSA-N	316.361	1.736	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H](C[C@H]1CCCO1)C(F)(F)F	845213835	SKBGJNYDVZTIQJ-RKDXNWHRSA-N	310.316	1.928	50	20	DDGD	
N[C@@H]1CCc2ncc(NC(=O)NNC(=O)C3CCCC3)cc2C1	841320806	ANBWDTYPJSSYAI-GFCCVEGCSA-N	317.393	1.241	50	20	DDGD	
Cc1ccc(F)c2c1C(=NNC(=O)[C@H]1CCO[C@@H]1C)C(=O)N2	842553418	GTTDSURJCCEYLE-BDAKNGLRSA-N	305.309	1.332	50	20	DDGD	
COc1ccc(C(=O)NN=C2C[C@H](C)n3ncnc32)c(OC)c1	841625074	YPCGCSYTVYHUNP-VIFPVBQESA-N	315.333	1.394	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1snc(Cl)c1Cl	846275781	JYUNFOAUBMRROH-WHFBIAKZSA-N	324.189	1.636	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cc3c(F)cccc3[nH]2)n1	740112512	LTAKAYBQFPHTEF-UHFFFAOYSA-N	314.324	1.920	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1cccc(Br)n1	842561986	OOGQPCICJOEJPO-SCZZXKLOSA-N	312.167	1.719	50	20	DDGD	
C[C@@](O)(Cc1ccccc1)C(=O)NNC(=O)NC1CCCCC1	746094815	SVTCSPCYJZBTHX-QGZVFWFLSA-N	319.405	1.643	50	20	DDGD	
O=C(NNS(=O)(=O)c1cccc2scnc12)C1CCC1	840913483	WNKZLAXOCHAAED-UHFFFAOYSA-N	311.388	1.406	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCSc1ccccn1	843652304	IYRAKPSFJBIPNQ-QWRGUYRKSA-N	309.391	1.136	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C(=O)N1CCCC1)c1ccc(Cl)cc1	845353756	FVCMKQXBOQGODD-SNVBAGLBSA-N	323.780	1.213	50	20	DDGD	
N#C[C@H](CCc1ccccc1)C(=O)NNC(=O)C1CCOCC1	923057123	DFNZIYCYJRPDIQ-HNNXBMFYSA-N	315.373	1.333	50	20	DDGD	
CC(C)(C)c1ncc(NC(=O)NNC(=O)c2cnccn2)cn1	756246029	OLLCPKHOKZMLHL-UHFFFAOYSA-N	315.337	1.031	50	20	DDGD	
CNC(=O)c1ccc(C=NNC(=O)NCc2ccco2)cc1	920829330	MXBPNDKJPFUNHV-UHFFFAOYSA-N	300.318	1.473	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1CCc2c(F)cccc21	921255865	FOKQGEBABGPVTD-LBPRGKRZSA-N	319.380	1.561	50	20	DDGD	
COCc1ncsc1C(=O)NNC(=S)N[C@@H](C)C1CC1	855097053	ILJUCSWOIOITIH-ZETCQYMHSA-N	314.436	1.197	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccc2cccnn12	753483374	GDLHZEZPUNERLK-UHFFFAOYSA-N	324.340	1.347	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@H]2CCC(=O)N2C)cc1F	854882746	OJCUSZUXKGVIKB-SNVBAGLBSA-N	323.324	1.066	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C1CCC1	756102296	ZUPHRYJVHGISBI-YGRLFVJLSA-N	319.361	1.345	50	20	DDGD	
C=CCC[C@H](CO)NC(=O)NC[C@]1(C)C[C@H]1Br	856957980	IVBAWDBVFDVKHQ-FOGDFJRCSA-N	305.216	1.786	50	20	DDGD	
C[C@H](CCCO)CNC(=O)NC[C@@]1(C)C[C@@H]1Br	856957799	HPTUQIKWSPMCEH-JFGNBEQYSA-N	307.232	1.868	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)CCCCC#N)C[C@@H]1Br	856757691	ZCFKIVLUCUXSAY-UWVGGRQHSA-N	309.229	1.773	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Cc2cn3cccc(C)c3n2)n1	750664794	KQJHTSQIENQLHH-UHFFFAOYSA-N	310.361	1.735	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)CCCCCC#N	854286329	VGIDKBVTIXVGAX-UHFFFAOYSA-N	300.428	1.334	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)COc2ccc(C#N)cc2)CN1C1CC1	753955082	KDIJBKXFDBRIPV-GFCCVEGCSA-N	312.373	1.666	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](CC(=O)NNC(=O)c2cccc(F)n2)CCO1	856422706	BWRCXPYSSUKZMU-AAEUAGOBSA-N	323.368	1.823	50	20	DDGD	
CCCc1cnc(NC(=O)NNC(=O)c2cnccn2)s1	757926657	VKCSDTSAJHNHKD-UHFFFAOYSA-N	306.351	1.352	50	20	DDGD	
Cn1cc(C(=O)NCCCSC#N)c(-c2ccncc2)n1	854362360	LSSPVQXBUXYVMY-UHFFFAOYSA-N	301.375	1.816	50	20	DDGD	
Cc1nnc2ccc(C(=O)NC[C@@]3(C)C[C@H]3Br)cn12	857393466	GQGFYQZBYZXOPK-ZWNOBZJWSA-N	323.194	1.941	50	20	DDGD	
Cc1nn(C)c(Cl)c1C(=O)NNC(=S)NCC1CCC1	855092753	ATRJEWZMFOEBKE-UHFFFAOYSA-N	315.830	1.291	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1ccc(Cl)cn1)C(C)C	856093968	STSUQBPGUPYXBW-JTQLQIEISA-N	300.746	1.559	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cnc3nccnc3c2)cc1	758839498	XEALCEROTCUYKQ-UHFFFAOYSA-N	321.340	1.662	50	20	DDGD	
O=C(CCN1CCCCCC1)NN=Cc1cnc2n1CCC2	853276712	GQQBVHQIBGGLGD-UHFFFAOYSA-N	303.410	1.546	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(N)cc1C	853388395	FXNYTVCXAVOSTK-ZBFHGGJFSA-N	316.405	1.281	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cccc(C#N)c1)c1cccc(O)c1	756594788	OTVWHYZZVRZZKR-UHFFFAOYSA-N	324.340	1.161	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNC(=S)N[C@@H](C)C2CC2)c1	855100453	BZADIEQKSGVVLP-VIFPVBQESA-N	322.390	1.811	50	20	DDGD	
COCCC1CCN([C@H](C)C(=O)NNC(=O)CC(C)C)CC1	859400143	DTSSEDZDBVOVKL-CYBMUJFWSA-N	313.442	1.317	50	20	DDGD	
C[C@@]1(CCC(=O)NNc2ccc(F)c(F)c2F)CCC(=O)N1	753435518	SRUZGZQKUKIBAL-AWEZNQCLSA-N	315.295	1.996	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cnc2n1CCCCC2)C1CC1	857724341	OBIRDWABRZIQNZ-JTQLQIEISA-N	321.450	1.517	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=C1CC[C@@H](C)c2ccccc21	752733324	IHWLXNLUOFAHPB-MNOVXSKESA-N	323.418	1.342	50	20	DDGD	
CC(C)C[C@H](C(=O)NN[C@H](C)C(F)(F)F)N1CCCCC1=O	862310714	DNPJQRSREWFCFC-GHMZBOCLSA-N	323.359	1.985	50	20	DDGD	
CC(C)Cn1cccc(C(=O)NNC(=O)NC2CCCC2)c1=O	930966736	XWHUJAMKBPKZGJ-UHFFFAOYSA-N	320.393	1.391	50	20	DDGD	
CCOc1cccc(CCC(=O)NNc2nnc(C)c(O)n2)c1	863854839	CKCGIMBUENJGOM-UHFFFAOYSA-N	317.349	1.360	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cccc([S@@](C)=O)c1	764659096	DDQOPFLHCLXOIU-JOCHJYFZSA-N	321.362	1.371	50	20	DDGD	
CCN(C)c1ccc(C(C)=NNC(=O)[C@@H]2CCC(=O)N2)cc1	863149234	VFRMYEXHASKOMS-AWEZNQCLSA-N	302.378	1.262	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NN=CC[C@@H]1CCOC1	765558692	FKIZTCLOWBYOFN-LLVKDONJSA-N	307.306	1.502	50	20	DDGD	
CC/C(=C/C(=O)NNC(=O)COCCOC)c1ccc(C)cc1	869910532	UNPKENTWGXRXKJ-KAMYIIQDSA-N	320.389	1.599	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccnc(F)c2)c1Br	760451740	WKDRWURINYNRRK-UHFFFAOYSA-N	314.118	1.474	50	20	DDGD	
COc1ccc2c(c1)OC[C@H]2CC(=O)NNC(=O)NCC1CC1	760380984	FHNJWVHYLMKSOY-LLVKDONJSA-N	319.361	1.302	50	20	DDGD	
COc1ccc(NC(=O)NNc2ccc(Cl)nn2)c(OC)n1	769985591	YVYPOHKAQTVVCX-UHFFFAOYSA-N	324.728	1.691	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NC[C@H](O)COCC1CC1	768263934	JLUUZUMEXBWHQV-QWRGUYRKSA-N	322.243	1.700	50	20	DDGD	
CNc1ccc(NC(=O)C(=O)NNC(=O)C2CCCC2)cc1	861499226	LLYHVXHPFVTQGR-UHFFFAOYSA-N	304.350	1.004	50	20	DDGD	
CSCc1ccccc1NC(=O)C(=O)NNC(=O)C(C)C	763832263	NHUZNTIPDRQXDD-UHFFFAOYSA-N	309.391	1.292	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)Cc2ccc(F)cc2)CCC1=O	763270675	SXSLMZQWCXTMJG-PWSUYJOCSA-N	306.337	1.521	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc(SC(F)F)cc1	763515478	NNSFCYWVWFYAAC-UHFFFAOYSA-N	303.290	1.107	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2scnc2C(C)C)n[nH]1	869015931	CPMVTVNVQJNERS-UHFFFAOYSA-N	307.379	1.302	50	20	DDGD	
COC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	762781087	ALEVLUAQEOGIOG-STCRIKGOSA-N	301.302	1.217	50	20	DDGD	
CS[C@@H](C)CC(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	766916210	GFVQPDQFFUVGCP-NSHDSACASA-N	324.402	1.441	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCC2(C)OCCO2)c1	760155763	GIXBFMSPLOSFEK-UHFFFAOYSA-N	323.349	1.252	50	20	DDGD	
COCc1ccc(NC(=O)NNC(=O)c2c[nH]nc2C)cc1	772562391	QKNNOBXJPIMRAI-UHFFFAOYSA-N	303.322	1.331	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)NCc2ccco2)cc(O)n1	778244115	BQZJPJOOYLFUEG-UHFFFAOYSA-N	304.306	1.087	50	20	DDGD	
O=C(NN=CCCc1ccc2c(c1)CCO2)C(=O)N1CCCC1	774379157	PZOHLBVWLPKIBX-UHFFFAOYSA-N	315.373	1.279	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1CNC(=O)NNC(=O)Cc1ccccc1F	774791653	YBAORNOWRZQQLN-TZMCWYRMSA-N	323.368	1.514	50	20	DDGD	
COCCOCC(=O)NN=C1CC[C@@H]2CNc3cccc1c32	872400553	VHUUOORDFWAWBV-LLVKDONJSA-N	303.362	1.473	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)c1nc(O)nc(O)c1OC	1118023651	QMUDGZROQNXGHH-UHFFFAOYSA-N	318.333	1.524	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccnc1	773637915	CJHPEEFVYXBQKX-UHFFFAOYSA-N	301.262	1.072	50	20	DDGD	
Cc1ccc(CC(=O)NNc2nc(O)c3cnn(C)c3n2)cc1	770969513	RCAFLLJOXMRLGD-UHFFFAOYSA-N	312.333	1.063	50	20	DDGD	
CC(CCn1cccn1)=NNC(=O)c1ccnc(N(C)C)c1	776770376	UILSQWHCUQZCQJ-UHFFFAOYSA-N	300.366	1.540	50	20	DDGD	
C[C@@H](CBr)COC(=O)[C@@]12CCC(=O)N1CCS2	770323696	OBDNRGXGMIRMHE-KWQFWETISA-N	322.224	1.626	50	20	DDGD	
Cc1cccc(NNC(=O)NCCC(=O)N2CCCCC2)n1	875067755	COYGQGDGMFCWKG-UHFFFAOYSA-N	305.382	1.419	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CO[C@@H]1CCC[C@@H](C)C1	772115252	NEJOLKHSZVZDKW-GRYCIOLGSA-N	314.382	1.071	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1sc(C)nc1C	876640749	DMPBVIOVAHQHRU-UHFFFAOYSA-N	316.452	1.248	50	20	DDGD	
C[C@H]1C[C@H](CNC(=O)NNC(=O)c2cccc(C#N)c2)CCO1	770769475	HMBYWDBPVRXTNK-WCQYABFASA-N	316.361	1.317	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1	878128034	XGZJBWBPOGVBPM-UHFFFAOYSA-N	322.409	1.830	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc[nH]1	875421980	IMYGPXROLSCEHD-KFWWJZLASA-N	316.405	1.786	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)nn1C	1116289234	UFYMAMOHDCEJNW-UHFFFAOYSA-N	321.768	1.657	50	20	DDGD	
C[C@]1(CNC(=O)CC2(C(=O)O)CCC2)C[C@@H]1Br	872883376	NVHPNJRYEHXHDH-GZMMTYOYSA-N	304.184	1.921	50	20	DDGD	
Cc1nccn1CCOC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	771897367	HTSGZGFNDFQJNL-OVCLIPMQSA-N	323.356	1.861	50	20	DDGD	
N#CSCCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12	773586543	OVJADQPWQSSFTP-UHFFFAOYSA-N	305.319	1.805	50	20	DDGD	
CCC(C)(C)NC(=S)NNC(=O)Cc1csc(C)n1	774138181	KUCAQSANDNCCIF-UHFFFAOYSA-N	300.453	1.678	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CNC(=O)CC(C)(C)C	772843894	IWSUWDIMPUDQEA-UHFFFAOYSA-N	307.398	1.596	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ccnc(Br)c1	771557255	VBAPZPDBRAIRER-JGVFFNPUSA-N	314.139	1.096	50	20	DDGD	
C[C@@H](CBr)CN1CCN([C@@H]2CCCN(C)C2)CC1	770667315	PHGPEKXLWIFBAP-UONOGXRCSA-N	318.303	1.729	50	20	DDGD	
CCOC(C)(C)CNC(=O)NNC(=O)c1cccc(C#N)c1	780833599	ZNVVZPSOCUMVLU-UHFFFAOYSA-N	304.350	1.317	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2c(F)cc(F)cc2F)CC1=O	885150571	BFZBQECSSKNQMQ-SSDOTTSWSA-N	301.268	1.415	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNc2cc(F)c(F)c(F)c2)n1	782018715	NTEILHMIAZMFNQ-UHFFFAOYSA-N	310.235	1.355	50	20	DDGD	
N#CC1=CCN(C(=O)c2c[nH]n3c2nc(=O)c2ccccc23)CC1	780687920	PXBWPCCKFRZCMN-UHFFFAOYSA-N	319.324	1.472	50	20	DDGD	
COc1ccc(NNC(=O)Cc2csc3nccn23)nc1	781526343	SHXHESYASNDAOJ-UHFFFAOYSA-N	303.347	1.485	50	20	DDGD	
CCn1cc(CC(=O)NNC(=O)c2ccc(Cl)cc2O)cn1	781025605	HZVAGXFGZCSZSG-UHFFFAOYSA-N	322.752	1.266	50	20	DDGD	
O=C(NC[C@H]1Cc2ccccc2O1)NNc1ncncc1Cl	780959661	HRQFJQOSSVYZSM-SNVBAGLBSA-N	319.752	1.760	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)nc1	781529589	CCXQYPMLZDKZBI-LBPRGKRZSA-N	320.393	1.570	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccc[nH]1)c1ccc2c(c1)OCO2	794212688	SXKFQTPENBJUET-SECBINFHSA-N	301.302	1.308	50	20	DDGD	
Cc1c[nH]nc1C(=O)NNC(=O)NCc1ccc(Cl)cc1	799415731	JHQSKAGTJMXBBY-UHFFFAOYSA-N	307.741	1.516	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@@H](C)c1nnnn1C1CC1	791081802	MGYTZCZOHWYGHC-VIFPVBQESA-N	302.342	1.099	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ncc(C)cc1OC	792595066	ZZEBOPSXTOHXKL-UHFFFAOYSA-N	315.329	1.482	50	20	DDGD	
COc1ccc(F)cc1CC(=O)NNC(=O)c1cccc(C)n1	794080336	KNCXAQVBCAMQLQ-UHFFFAOYSA-N	317.320	1.541	50	20	DDGD	
C=C(CBr)CN1CCN(C[C@H]2CCCO2)CC1	791441372	ADVNBMRTCXPWQP-CYBMUJFWSA-N	303.244	1.734	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1sc(SC(F)F)nc1C	793208533	XNAJEGKKNJWQEE-UHFFFAOYSA-N	324.378	1.659	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/C=C/c1ccccc1[N+](=O)[O-]	794957344	AJLHREWSXYMYDD-ZOCAGLHBSA-N	307.331	1.907	50	20	DDGD	
CC(C)[C@@H](C)C(=O)NNc1ccccc1S(=O)(=O)N(C)C	795181784	OZESZMXGMXVVCX-LLVKDONJSA-N	313.423	1.672	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cccc2ncn(C)c12	798153790	FXYMTPNMASATOP-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C=C2CCCC2)cc1C	798309052	GENFTRLVLFGFBJ-UHFFFAOYSA-N	315.373	1.890	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)c2ccccc2F)ccc1F	790110969	JDDDEGCIXPUERL-UHFFFAOYSA-N	301.252	1.911	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=S)NC(C)C)c1C1CC1	1319631260	XABMYMKBLNXXOA-UHFFFAOYSA-N	309.439	1.688	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=Cc1ccc2c(c1)CCC2	1323270631	UIRXSWRHXUYBGM-UHFFFAOYSA-N	312.329	1.069	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2ncccn2)c(Cl)c1	1324121712	RUDNJXMQXKXNCM-UHFFFAOYSA-N	316.708	1.083	50	20	DDGD	
O=C(COCc1ccncc1)NNC(=O)c1c[nH]c2ccccc12	1322742047	AXUSDERIPYPXMT-UHFFFAOYSA-N	324.340	1.541	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2scnc2C2CC2)nn1	1321645790	PZVGEVZVHQDBOL-UHFFFAOYSA-N	318.362	1.201	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)c1cncn1-c1ccccc1	1335395501	PAZUWLNLKDEMFZ-LBPRGKRZSA-N	316.361	1.448	50	20	DDGD	
C[C@]1(Cn2nnnc2N2CCC=C(F)C2)C[C@H]1Br	1335162747	YCNQMUDYEJILKN-MWLCHTKSSA-N	316.178	1.910	50	20	DDGD	
CCN(CC)C[C@@H]1CCN(S(=O)(=O)CBr)C1	782451749	CWKFLXLULNIXNT-JTQLQIEISA-N	313.261	1.332	50	20	DDGD	
CN(C)c1cccc(Cl)c1C=NNC(=O)C(=O)NC1CC1	1253805857	ULBYHVVZJIQKAU-UHFFFAOYSA-N	308.769	1.135	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H](C)[C@H]1CCC(=O)N1)c1ccccc1	1334998099	YLOUMBVEAFTBPJ-KWCYVHTRSA-N	317.389	1.242	50	20	DDGD	
Cc1cc(C=NNC(=O)c2cnn(-c3ccccc3)c2)ncn1	1343847133	QRIHRFIXFOHODG-UHFFFAOYSA-N	306.329	1.735	50	20	DDGD	
C#CCOCCN(C)C(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	1348891122	JRDZAJFJSLWBQB-OQLLNIDSSA-N	310.357	1.220	50	20	DDGD	
C[C@H]1COC[C@@H]1NC(=O)NNc1cc(C(F)(F)F)ccn1	1340746349	GTEYYNZZYWZSIO-CBAPKCEASA-N	304.272	1.761	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2cc(C)[nH]n2)cc1C	1347043363	KUYZATVGPJBNAY-UHFFFAOYSA-N	302.334	1.039	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC/C=C\C2CC2)cc1OC	1347960398	SKDABYHDXJLGCQ-ARJAWSKDSA-N	319.361	1.614	50	20	DDGD	
CN1CCCC[C@H]1CNC(=O)NNC(=O)CCc1ccccc1	1263762719	LVNAEPALPIEWSJ-HNNXBMFYSA-N	318.421	1.434	50	20	DDGD	
CCN(CC)CC[C@H](C)NC(=O)NNc1nc(C)cc(OC)n1	1342036546	PPYXRZPMDZVXHA-NSHDSACASA-N	324.429	1.540	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1c(F)cncc1F)C1CC1	1352229733	MKNPYHXMAGZHHE-ZCFIWIBFSA-N	300.334	1.267	50	20	DDGD	
C=C(CCC(=O)O)C(=O)NNc1cccc(Br)n1	1602783533	GAAVXWJZYZPHNF-UHFFFAOYSA-N	314.139	1.708	50	20	DDGD	
C[C@]1(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)C[C@H]2CC[C@H]1O2	1603748434	PTQZZXZLICBIRZ-JMSVASOKSA-N	314.349	1.267	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)nc(C)n1	1600281731	LSSNQGRFHYHZQO-VTPLQMEGSA-N	316.361	1.450	50	20	DDGD	
Cn1c(C(=O)O)ccc1C(=O)NNc1ccc(F)c(F)c1F	1608083677	NDHYNGNCWIOMND-UHFFFAOYSA-N	313.235	1.898	50	20	DDGD	
O=C(CCC1CCCCC1)NNC(=O)NC[C@H](F)C(=O)O	1601263826	NWUVOYFEXWJMTK-JTQLQIEISA-N	303.334	1.100	50	20	DDGD	
Cn1cc(NC(=O)NNc2ccc(C(=O)O)cc2F)ccc1=O	1600965860	NJIPQFYARGAXSR-UHFFFAOYSA-N	320.280	1.371	50	20	DDGD	
Cn1c(NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)nc2ccccc21	1600922090	WUAHLXIOESGEEY-WDEREUQCSA-N	316.361	1.907	50	20	DDGD	
Cc1noc([C@H](C)NC(=O)NNc2ccc(F)c(C(=O)O)c2)n1	1608021325	OPXGRRJUGALPSQ-LURJTMIESA-N	323.284	1.603	50	20	DDGD	
Cc1ccn(C)c(=O)c1NC(=O)NNc1cccc(C(=O)O)c1	1607890709	JQWZPVJSUTYGLU-UHFFFAOYSA-N	316.317	1.541	50	20	DDGD	
C[C@H](CBr)COC(=O)c1ncccc1C(=O)O	1603119038	QCIBAPYXRHBTTR-SSDOTTSWSA-N	302.124	1.968	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC2(CC(=O)O)CCCC2)cn1	1600947067	QHMGWLPBPAEVFK-WUXMJOGZSA-N	302.334	1.231	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)C2(C(=O)C3CC3)CC2)c(F)c1	1608903675	DKMKBZJOMNHXLU-UHFFFAOYSA-N	306.293	1.726	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NNc2ccccc2C(=O)O)cn1	1600944691	BMWRUMKZCYLRJO-WDZFZDKYSA-N	311.301	1.169	50	20	DDGD	
O=C(O)CCCC(=O)NNC(=O)Cc1ccc2ccccc2c1	1608708776	JWFVGFUXFFGYLT-UHFFFAOYSA-N	314.341	1.785	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2cc(C(=O)O)co2)cc1	1610505730	DYRNOFLSRMGVBL-UHFFFAOYSA-N	315.285	1.375	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2n[nH]c3c2CCC3)c(F)c1	1610835879	KIJJYTGHGJLOPF-UHFFFAOYSA-N	304.281	1.493	50	20	DDGD	
COc1cccc(C(C)=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)c1	1549318467	ZKPAXQOUEICVRQ-GOEBONIOSA-N	317.389	1.399	50	20	DDGD	
CCn1cc([C@H]2OCC[C@H]2C=NNC(=O)c2ccon2)cn1	1553288363	ZFHZWYGCZLHGFV-GWCFXTLKSA-N	303.322	1.384	50	20	DDGD	
Cc1cnc(Cl)c(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)c1	1550354935	ZWLCWDSKQUFQBQ-QWHCGFSZSA-N	322.796	1.357	50	20	DDGD	
CCCN[C@H](C)C(=O)NNC(=O)COc1ccc(C)c(C)c1	1577554546	KSUPPBBECBPCBF-CYBMUJFWSA-N	307.394	1.218	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H](N)CC(C)C)cc1C	1579723439	AMCQWTOLMNBQNU-CYBMUJFWSA-N	308.451	1.994	50	20	DDGD	
Nc1ccnc(CNC(=O)NNc2cc(F)c(F)c(F)c2)c1	1580461498	RGKATDANAAHOON-UHFFFAOYSA-N	311.267	1.907	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(C(=O)O)cn2)nn1	1588741289	ZXSGXBCFQLXIPC-UHFFFAOYSA-N	315.333	1.624	50	20	DDGD	
CC(C)(C(=O)O)n1ccc(NC(=O)NNc2ccccn2)n1	1588626355	NREMKIRCTILAOD-UHFFFAOYSA-N	304.310	1.246	50	20	DDGD	
CCOCCC(=O)N1CCCC12CN(C(=O)[C@H](Cl)CC)C2	1846681629	WRWHSCZQWHYMPI-GFCCVEGCSA-N	316.829	1.634	50	20	DDGD	
C[C@H](CC(=O)O)NC(=O)NNC(=O)CCCc1ccccc1	1589002187	RXZZIXATKZZMOU-LLVKDONJSA-N	307.350	1.203	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@H]1CCCC[C@H]1C(=O)O	1589831645	CSVHDOVAZMBSCA-DTWKUNHWSA-N	301.412	1.171	50	20	DDGD	
COC[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843362508	YWVUKVXBLMQBAZ-VHSXEESVSA-N	306.765	1.007	50	20	DDGD	
CC(C)n1ccc(CC(=O)NNc2cccc(C(=O)O)c2F)n1	1592133145	BXPAQBWZNHDXHL-UHFFFAOYSA-N	320.324	1.987	50	20	DDGD	
COCCN(CC(C)C)NC(=O)C1(C(=O)O)C(C)(C)C1(C)C	1594000188	FODROUJDCILNCI-UHFFFAOYSA-N	314.426	1.759	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2cccn2CC(=O)O)n1	1594437702	RRWLUJCARXFIPR-UHFFFAOYSA-N	306.347	1.030	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(C(=O)O)c(Cl)c1	1598875468	FTMCGCIFZPHFHU-UHFFFAOYSA-N	301.686	1.773	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)N[C@H](C1CC1)C(F)(F)F	1594782268	VMENYKUIZRJPKT-MRVPVSSYSA-N	318.255	1.747	50	20	DDGD	
CC(C)(C)[C@@H]1OCC[C@H]1C(=O)NN=Cc1ccc(C(=O)O)nc1	1776107004	GIMVXGWPMMDRKL-DGCLKSJQSA-N	319.361	1.681	50	20	DDGD	
CC(C)(CC(=O)O)CC(=O)NNC(=O)c1cc2c(s1)CCC2	16481673	YDPIEDPTJFQYIQ-UHFFFAOYSA-N	324.402	1.889	50	20	DDGD	
CS[C@H](C)CC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	163113174	AQLGHSQTINFALJ-SNVBAGLBSA-N	318.402	1.979	50	20	DDGD	
CC1(C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC1	151244760	SFUHVMYUUXOIJQ-UHFFFAOYSA-N	302.309	1.777	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@]23CCCc2ccccc23)[nH]n1	153247770	MEAKQZRCLXESCE-KSSFIOAISA-N	324.384	1.773	50	20	DDGD	
O=C(Cn1nc2n(c1=O)CCCCC2)NNc1ccccc1F	153313338	AQFAOKUQGSBTQY-UHFFFAOYSA-N	319.340	1.054	50	20	DDGD	
CCn1c(NNC(=O)c2ccc(C#N)[nH]2)nc2ccccc2c1=O	155039448	HGGJJLPCQWUFHO-UHFFFAOYSA-N	322.328	1.373	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCCCCN1C[C@H](C)O[C@H](C)C1	159828509	AGWBDYVXIAFNAM-KTHFHOGMSA-N	309.410	1.436	50	20	DDGD	
ICCN1CCN(c2ncccn2)CC1	190793263	LFQUABPKIUGOPM-UHFFFAOYSA-N	318.162	1.034	50	20	DDGD	
C[C@@H]1[C@H](NC(=O)c2cccc(CCl)c2)CCS1(=O)=O	389395167	HTBDVBUUAODPHN-BXKDBHETSA-N	301.795	1.731	50	20	DDGD	
CN1CC[C@@H]2CN(S(=O)(=O)CC(C)(C)CCl)C[C@@H]2C1	916662549	ZLMILVTUXYASLA-NEPJUHHUSA-N	308.875	1.465	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H](C)Oc1ccccc1	6175232	QKLVWKRILMHCPF-LBPRGKRZSA-N	314.341	1.924	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)COc2ccc(F)cc2)cc1	6208473	CLBFRSKPCWIJKZ-UHFFFAOYSA-N	313.288	1.537	50	20	DDGD	
O=C(NCCc1nccs1)NNC(=O)c1ccccc1O	51756454	NELYDJGRPXCFRX-UHFFFAOYSA-N	306.347	1.035	50	20	DDGD	
CC(C)N1CC[C@H](NC(=O)NNc2cccc([N+](=O)[O-])c2)C1=O	172235358	DXJHUYIHRLSIRJ-LBPRGKRZSA-N	321.337	1.230	50	20	DDGD	
CC(C)NC(=O)NNC(=O)Cc1ccccc1Br	104339141	VZIDQDNQZXWGAL-UHFFFAOYSA-N	314.183	1.730	50	20	DDGD	
CCc1ccc(O)c(C(=O)NNC(=O)CNc2ccccc2)c1	104830010	RUOGOJYFYGJSCU-UHFFFAOYSA-N	313.357	1.828	50	20	DDGD	
CCNC(=O)NNC(=O)CSCc1cn2cc(C)ccc2n1	114682627	NWFGPZUWIPEOQS-UHFFFAOYSA-N	321.406	1.226	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCCCn2ccnc2C)o1	177299084	VJNUJBJZXFDKBL-UHFFFAOYSA-N	319.365	1.517	50	20	DDGD	
NC(=O)CCNS(=O)(=O)c1ccc(CCCCl)cc1	173033036	YGLHDJOJOITWCG-UHFFFAOYSA-N	304.799	1.012	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Cc1cccc(C)c1	102606908	XOPUNRHIEWNVAR-UHFFFAOYSA-N	312.369	1.936	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H](c2ccccc2)N(C)C)nn1	106327889	LHFFPCLEIHYECS-AWEZNQCLSA-N	314.393	1.714	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cc(F)cc(F)c2)c1	103403394	HUTIXBGYCPNXGR-UHFFFAOYSA-N	301.252	1.911	50	20	DDGD	
CCOCC(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	66654667	PLODOINWSZVNTP-VIFPVBQESA-N	300.742	1.291	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C	28941288	GMIFCSQNRCXOFT-XNTDXEJSSA-N	305.378	1.421	50	20	DDGD	
O=C(NNC(=O)c1csc(-c2ccccc2)n1)NC1CC1	64429235	YBYQCUARVMXXFV-UHFFFAOYSA-N	302.359	1.917	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C	64884873	GNPSIAARTLWXEH-UHFFFAOYSA-N	323.353	1.405	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccc(O)c(Cl)c1	174986230	LOLFVZKGJNEYFL-UHFFFAOYSA-N	305.721	1.444	50	20	DDGD	
COCCOc1cccc(CC(=O)NNc2cc(C)ncn2)c1	179000481	KXUFZBCBMPNVGC-UHFFFAOYSA-N	316.361	1.496	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1ccc(C(F)(F)F)nn1)C(C)C	124338628	VOZCOOJXQGDEKK-JTQLQIEISA-N	319.287	1.099	50	20	DDGD	
COc1ccc2c(c1)C=C(C(=O)NNc1cc(C)ncn1)CO2	176571336	KQPDXFZUECABCG-UHFFFAOYSA-N	312.329	1.713	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H](C)OCC2CC2)c1	68287234	QWYKHABDZIFQDC-GFCCVEGCSA-N	306.362	1.336	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)Cc2ccc(F)cc2)on1	64230786	LMZPVULZAATSRY-UHFFFAOYSA-N	306.297	1.195	50	20	DDGD	
CCN1CCO[C@@H](C(=O)NNc2cc(F)c(F)cc2F)C1	128000429	NYAUZWJEWKJHGN-GFCCVEGCSA-N	303.284	1.268	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)Cc2cc(C)on2)cc1	74512480	KFFUYHKJJAZEPH-UHFFFAOYSA-N	317.345	1.314	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)NCCCF	123746027	FDIGEQPKIUXAOL-UHFFFAOYSA-N	303.721	1.652	50	20	DDGD	
CC[C@H](CCO)CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	129200421	SDWRDWNQBIIDSC-BKNIFWKGSA-N	314.389	1.637	50	20	DDGD	
C=C[C@](C)(CCOC)C(=O)NNc1nc(-c2ccncc2)no1	187670396	SOJPWNFHFYWROS-OAHLLOKOSA-N	317.349	1.804	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)CCNC(=O)c1ccco1	184328609	LYXORSUZNLLOOA-UHFFFAOYSA-N	305.309	1.990	50	20	DDGD	
CCOC[C@H]1CCCN(C(=O)NNC(=O)c2ccccc2)C1	73035772	BLUKSSRKMJDEPS-ZDUSSCGKSA-N	305.378	1.790	50	20	DDGD	
CO[C@@H](C)CCC(=O)NNC(=O)c1cccc(OC(F)F)c1	181343152	FSTPFFVAPCKHRM-VIFPVBQESA-N	316.304	1.864	50	20	DDGD	
O=C(C[C@H]1COC(=O)C1)NNC(=O)c1ccc(Cl)cc1F	124308230	QGYCTZMUHJYFRM-SSDOTTSWSA-N	314.700	1.193	50	20	DDGD	
CC(=O)Nc1ccc(C)c(C(=O)NNC(=O)c2ccncc2)c1	186902928	MCNMGERXZSTLBC-UHFFFAOYSA-N	312.329	1.423	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)Nc1cccc(C)c1	77516684	JTBXLQKBKRCULV-UHFFFAOYSA-N	306.366	1.453	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1cc(OC)cc(OC)c1	212145402	HFGTXRASNHDJEG-QPEQYQDCSA-N	304.346	1.763	50	20	DDGD	
Cc1cnccc1NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	183445113	HTQRVLPBXSGRSR-UHFFFAOYSA-N	315.289	1.765	50	20	DDGD	
CCOCCC1(C(=O)NNC(=O)CNc2ccccc2)CCC1	125236271	YTFIDDXSQDYVET-UHFFFAOYSA-N	319.405	1.843	50	20	DDGD	
CC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)Cn1nc(C)cc1C	79541664	IGVFQOMDOPITEH-UONOGXRCSA-N	321.425	1.799	50	20	DDGD	
C[C@@](O)(Cc1ccccc1)C(=O)NNC(=O)NC1CCCC1	73106831	QMLCBCAZZSNFQN-MRXNPFEDSA-N	305.378	1.253	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=S)NCC(F)(F)F	49519384	MXKSXSVGBBDYMN-UHFFFAOYSA-N	309.288	1.426	50	20	DDGD	
CC(C)CCNC(=O)NNC(=O)c1ccc2c(c1)OCCO2	42904778	LWCVEIQGWNXDJK-UHFFFAOYSA-N	307.350	1.448	50	20	DDGD	
COCCn1cc(NC(=O)NNc2ccc([N+](=O)[O-])cc2)cn1	193554720	PHKAOOOEOQNRAO-UHFFFAOYSA-N	320.309	1.586	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@H]1CCCCC(=O)N1)c1ccccc1	194089000	OGBUOOFCKMBPSK-ZIAGYGMSSA-N	317.389	1.386	50	20	DDGD	
COc1ccnc(NNC(=O)NCCCOC2CCCC2)n1	142080499	DNIWQZRKHLIGKH-UHFFFAOYSA-N	309.370	1.461	50	20	DDGD	
CCOc1ccccc1CNC(=O)NNC(=O)c1ccc[nH]1	97215400	FYGLNAOGOFAWRV-UHFFFAOYSA-N	302.334	1.558	50	20	DDGD	
CCO[C@H](CC)C(=O)NNC(=O)COc1ccc(C)c(C)c1	98094460	BGIMUIADEYACQD-CQSZACIVSA-N	308.378	1.645	50	20	DDGD	
Cn1cnc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c1	269142313	NWYBADRETPPPGQ-UHFFFAOYSA-N	302.378	1.398	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cccc(Cl)c1)[C@H]1CCOC1	266546056	KWSMIKUVSGRXDX-KOLCDFICSA-N	311.769	1.709	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccn(-c2ncccc2F)n1	368235801	QKQBJKWCCHDLGO-SECBINFHSA-N	320.328	1.605	50	20	DDGD	
C[C@@H]1C[C@@H](CNC(=O)NNC(=O)c2ccc(C#N)cc2)CCO1	271571219	XDZNCWFTDQQSGO-YPMHNXCESA-N	316.361	1.317	50	20	DDGD	
C=C(C)[C@H](CC(=O)NNC(=O)COc1ccc(C)cc1)OCC	270130137	OUDCQVGNLIMBAW-HNNXBMFYSA-N	320.389	1.893	50	20	DDGD	
C[C@@H]1Oc2ccccc2N(CC(=O)N2CC=C(C#N)CC2)C1=O	271181477	YVQJPIZZLBDTRX-LBPRGKRZSA-N	311.341	1.483	50	20	DDGD	
CC(C)Cc1nnc(NC(=O)CN2CC=C(C#N)CC2)s1	272668911	PXWNWZSYNCAFEM-UHFFFAOYSA-N	305.407	1.831	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(C)c(C)c1	276509055	DMVRGRAUHSOGPP-UHFFFAOYSA-N	308.378	1.854	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1cnccn1	270080193	LCXSEJYKCOBCRV-JQWIXIFHSA-N	323.397	1.859	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCC3(CCOCC3)C2)n1	279738058	WWMBXYFSQKXIDS-UHFFFAOYSA-N	318.377	1.247	50	20	DDGD	
COC1(CC(=O)NNC(=O)COc2cccc(C)c2)CCC1	276707070	QEPYHDBUZYGVMG-UHFFFAOYSA-N	306.362	1.480	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCCc1cccc([N+](=O)[O-])c1	270571581	VINKQHMBHPSRIZ-UHFFFAOYSA-N	324.337	1.876	50	20	DDGD	
C[C@H](C(=O)NNc1ccnc(F)c1)n1nnnc1C(C)(C)C	272731846	KWXJSRFNMQCWPA-MRVPVSSYSA-N	307.333	1.209	50	20	DDGD	
CC1(C(=O)NNC(=O)c2c(Cl)cccc2Cl)COC1	272927990	RVJYQINHNFXMPK-UHFFFAOYSA-N	303.145	1.791	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCN2C(=O)NC[C@H]2C1	373300899	JJYILPJTOIUQKB-DTWKUNHWSA-N	318.215	1.032	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	372277206	GELCVOMJJKLPIH-BGZDPUMWSA-N	324.299	1.898	50	20	DDGD	
CCCN(NC(=O)c1c(C)c(C)n[nH]c1=O)C(=O)OC(C)(C)C	286517794	OCAXCGKEDBPCIL-UHFFFAOYSA-N	324.381	1.679	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)NCc1ccc(Cl)cc1)C1CC1	281238400	OYCXFXMAQNANOA-LBPRGKRZSA-N	311.769	1.595	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1	285765668	MUCGDHPONBMUHQ-ZDUSSCGKSA-N	306.322	1.439	50	20	DDGD	
CCc1csc(CC(=O)NNC(=O)NCC(F)(F)F)n1	282863144	TYFWSZHQECVYHJ-UHFFFAOYSA-N	310.301	1.141	50	20	DDGD	
COc1ccc(NNC(=O)[C@](C)(O)CCc2ccccc2)nc1	283820312	STBQWSLQQSTFCB-QGZVFWFLSA-N	315.373	1.917	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CCc1ncc[nH]1)c1ccccc1	287459342	FBBPDGRNJLRVOJ-UHFFFAOYSA-N	300.362	1.468	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H](C)CNC(=O)OC(C)(C)C	286382561	CHNJAWSGNJTESH-LLVKDONJSA-N	308.382	1.994	50	20	DDGD	
C[C@@H](CN(C)C)NC(=O)NNC(=O)c1cc2c(s1)CCC2	807577381	PCRNUIMPWZDGDM-VIFPVBQESA-N	310.423	1.131	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CC1CC1)n1ccc2ccccc2c1=O	294115535	KCAZLXJBMFEJHS-NSHDSACASA-N	313.357	1.510	50	20	DDGD	
N[C@H]1CCCC[C@H]1CC(=O)NNc1nc(-c2ccncc2)no1	294658947	AFMFSNDRBAJEKN-RYUDHWBXSA-N	316.365	1.482	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)c2cc(Cl)ccc2O)cn1	806354862	KMNWSYWSRRFLHC-UHFFFAOYSA-N	320.736	1.557	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)[C@@H]1CCCO1	292086605	GGWNAHCTBXVMHQ-CWSCBRNRSA-N	310.300	1.395	50	20	DDGD	
COc1ccc(C(=O)CCCC(=O)NNc2ccncn2)cc1	295444776	KSZNRUZPFDCMQT-UHFFFAOYSA-N	314.345	1.982	50	20	DDGD	
Cc1nc2cccc(C(=O)NNC(=O)NCc3ccco3)c2[nH]1	801842594	RZGOQHAETNFPEU-UHFFFAOYSA-N	313.317	1.609	50	20	DDGD	
CCc1nnc(CNC(=O)NNc2ncc(F)cc2F)s1	298057874	TZNMCVWHTZJJHS-UHFFFAOYSA-N	314.321	1.600	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H](C)NC(=O)c2ccoc2)cc1	294201520	CXFNDSYVVRBVMB-NSHDSACASA-N	317.345	1.940	50	20	DDGD	
O=C(C[C@@H]1CCCc2ccccc21)NNC(=O)[C@@H]1CCCO1	292113260	JGGILBLNVCISSS-ZFWWWQNUSA-N	302.374	1.823	50	20	DDGD	
CC(=O)Nc1ccc(C)c(NC(=O)NNC(=O)[C@@H]2CCCO2)c1	292741265	UGJONLKAIXMMCX-ZDUSSCGKSA-N	320.349	1.285	50	20	DDGD	
CC(=O)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1C	294227875	LSYDTINUJRCHCO-ZDUSSCGKSA-N	321.377	1.728	50	20	DDGD	
NS(=O)(=O)c1ccc(C=NNC(=O)C2CCC2)cc1Cl	807971491	XNIWWNLPHLXTRL-UHFFFAOYSA-N	315.782	1.238	50	20	DDGD	
COc1cccc2c(C(=O)NNc3ncccc3F)n[nH]c12	809891063	LBFLOLJJISRGEF-UHFFFAOYSA-N	301.281	1.863	50	20	DDGD	
C[C@@H](O)c1ccc(CNC(=O)NNC(=O)OC(C)(C)C)cc1	299527934	NEWYZKDYYIIDLW-SNVBAGLBSA-N	309.366	1.979	50	20	DDGD	
O=C(CCOc1ccc(F)cc1)NNC(=O)N=c1cc[nH]cc1	802024306	CDSFATGPLZRCRS-UHFFFAOYSA-N	318.308	1.264	50	20	DDGD	
CON(C)C(=O)CNC(=O)CCCC[C@H]1CCSS1	817660363	JKFWINPSQKAUED-JTQLQIEISA-N	306.453	1.837	50	20	DDGD	
CC(C)(O)C1CCN(S(=O)(=O)CBr)CC1	716355871	KGNZOYVMYWQOOG-UHFFFAOYSA-N	300.218	1.152	50	20	DDGD	
CCn1ccnc1C(=O)NNc1ccnc(Br)c1	813520220	HNVSSEFMDYCPQJ-UHFFFAOYSA-N	310.155	1.817	50	20	DDGD	
CN(C)c1cc(C#N)cc(C(=O)NNC(=O)NC2CCCC2)c1	814407918	PHSKBKLSDPGARE-UHFFFAOYSA-N	315.377	1.511	50	20	DDGD	
O=C(NN=Cc1ccc2[nH]ccc2c1)[C@@H]1CCS(=O)(=O)C1	811637155	USAPKKUJAZWPPS-GFCCVEGCSA-N	305.359	1.053	50	20	DDGD	
CN(NC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1)C1CC1	819646815	GIGUXVHHYKPPOO-KRWDZBQOSA-N	301.390	1.807	50	20	DDGD	
Cn1c(C(=O)NNc2ncncc2F)cc2ccccc2c1=O	817082107	MXKYHQDJWUZKBX-UHFFFAOYSA-N	313.292	1.225	50	20	DDGD	
CN(NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)C1CC1	819643768	NSGADMCYKYBQBU-CYBMUJFWSA-N	319.380	1.803	50	20	DDGD	
O=C(Cn1nnc2c1CCCC2)NNc1ccccc1[N+](=O)[O-]	816918150	QHRBWRJUIOVGDD-UHFFFAOYSA-N	316.321	1.208	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)C[C@@H](C)n1cccn1	819522172	LRLRYZIUBCUMQY-GFCCVEGCSA-N	301.350	1.996	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)C[C@@H]2CCOC2)c1	816405322	NJIHAKGTGJTRPJ-NSHDSACASA-N	306.366	1.650	50	20	DDGD	
C=CCc1cc(C=NNC(=O)Cc2cc[nH]n2)cc(OC)c1O	814957135	AETHNLWEGGMQIF-UHFFFAOYSA-N	314.345	1.545	50	20	DDGD	
CCC[C@@H]1C[C@H]1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	812448298	XOQUETPWWRGLME-GYSYKLTISA-N	304.346	1.410	50	20	DDGD	
CC(C)O[C@@H](C(=O)NNC(=O)c1ccnnc1)c1ccccc1	817696090	NIRKHFGNCMUSQV-CQSZACIVSA-N	314.345	1.404	50	20	DDGD	
N#Cc1cccc(C(=O)NN=Cc2cnn(CC(F)F)c2)c1	814220764	IHQHFCQAKMQKMB-UHFFFAOYSA-N	303.272	1.784	50	20	DDGD	
COCCN(C)NC(=O)CCc1cccc(Br)c1	819744844	FOHFZHULECKFHU-UHFFFAOYSA-N	315.211	1.991	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNC(=O)C3CCCC3)(CC1)CC2	814485395	KMIRXBHEMVPSML-UHFFFAOYSA-N	322.405	1.838	50	20	DDGD	
CC(C)CO[C@@H](C)C(=O)NNc1nc(-c2ccncc2)no1	728071570	AUGBIYKEFNSBTH-JTQLQIEISA-N	305.338	1.636	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(C(=O)O)cc2)c(C)o1	820963843	XKWVZDOZVRIJHQ-UHFFFAOYSA-N	302.286	1.669	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C1(C)CCOCC1	726798280	NKJOXDZBQHFIJZ-UHFFFAOYSA-N	321.377	1.071	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1C[C@@H](C)O[C@H](c2ccccc2)C1	827491312	KDPNLGSRZNBNIC-HIFRSBDPSA-N	319.405	1.252	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)[C@H]1CCC=CO1	820171368	NYYXLEDKHIMFDI-LLVKDONJSA-N	311.432	1.479	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)CC(C)C)c1cccc(OC)c1	821231903	RFHLWPZGCAGLQZ-AWEZNQCLSA-N	323.393	1.759	50	20	DDGD	
N#Cc1ccc(NNC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1	826386135	QHFZVRPTHIWNMZ-UHFFFAOYSA-N	320.316	1.887	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ncc(C(F)(F)F)cc1Cl	822557574	MMRUCDDDWAQMOI-LURJTMIESA-N	311.691	1.711	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)COc1ccccc1F)C(C)C	491713170	BZTNPVCFRVXJIZ-LBPRGKRZSA-N	307.325	1.193	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)C1CCC1)c1cccc(OC)c1	821222588	RMLLEGTXTSWTSE-CQSZACIVSA-N	321.377	1.513	50	20	DDGD	
N#CCc1cccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1	826382604	MHTMSCXDSAHUTH-UHFFFAOYSA-N	319.328	1.690	50	20	DDGD	
CN(C)CCCCC(=O)NN=c1sc2ccccc2n1C	729508815	BFMHWFCBQBXXLN-UHFFFAOYSA-N	306.435	1.904	50	20	DDGD	
C=CCC1(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CCCC1	826923550	RNCPUXGQRCVKMX-QWHCGFSZSA-N	309.410	1.878	50	20	DDGD	
O=C(NNc1cccc(Cl)c1)c1cc(-c2nn[nH]n2)c[nH]1	823281819	YQYCHURUWOAEFE-UHFFFAOYSA-N	303.713	1.605	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	823899538	XRAMWRDXXNCODU-SNVBAGLBSA-N	302.338	1.291	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)/C=C\c2ccc[nH]2)cc1	493581817	IPRWOWOAAMSOPU-YFHOEESVSA-N	313.361	1.947	50	20	DDGD	
CCn1cc(NC(=S)NNC(=O)Nc2ccccc2)cn1	726123801	TVZXTMORBAXSFY-UHFFFAOYSA-N	304.379	1.926	50	20	DDGD	
CC(=NNC(=O)CCNC(=O)OC(C)(C)C)c1ccc(F)cn1	495843209	RPMVWYMGDDNHBI-UHFFFAOYSA-N	324.356	1.976	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1	496361411	KXTDQRQUICHLRW-NWDGAFQWSA-N	311.382	1.145	50	20	DDGD	
COc1cccc2c1CCN(C(=O)/C(C#N)=C/c1cnn(C)c1)C2	490971312	ITJKHDHRICFEBN-OVCLIPMQSA-N	322.368	1.921	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2ccccc2O)c1	825786425	QJXHWQDIASEBKV-UHFFFAOYSA-N	315.329	1.274	50	20	DDGD	
CN(NC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1CC1	497290789	YJRIROCPANETTQ-VIFPVBQESA-N	307.341	1.660	50	20	DDGD	
O=C(N[C@H]1C[C@@H]2CCCc3cccc1c32)c1ccc(B(O)O)cc1	584969792	PNNUTWKCCFSOCU-YOEHRIQHSA-N	321.185	1.661	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cnc(OCC2CC2)c(Cl)c1	823935188	OUEQJABAXAXZJS-VIFPVBQESA-N	313.785	1.481	50	20	DDGD	
Cc1cccc(Cl)c1CCCNCc1ccc(B(O)O)o1	585036826	QAYPLZHUEJZIJW-UHFFFAOYSA-N	307.586	1.644	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCOC3(CCCCC3)C2)cc1	585031016	OJTGLBQDNGBYNN-INIZCTEOSA-N	303.211	1.338	50	20	DDGD	
CCOc1ccc(NNC(=O)c2nc(OC)cc(OC)n2)cc1	908414609	NZRAGIDGXUAUGZ-UHFFFAOYSA-N	318.333	1.649	50	20	DDGD	
CCC(=NNC(=O)CNC(=O)OC(C)(C)C)C1CCOCC1	494725532	JAHWXQWXDCDPTQ-UHFFFAOYSA-N	313.398	1.820	50	20	DDGD	
C[C@@H]1CCc2c(F)cccc2[C@@H]1NCc1ccc(B(O)O)o1	585027270	YZGYOPPSWDWJTL-QLJPJBMISA-N	303.142	1.512	50	20	DDGD	
CCN(C[C@@H](C)C#N)S(=O)(=O)NN(C)C(=O)OC(C)(C)C	496453170	KMWOZXWFJCVCTA-JTQLQIEISA-N	320.415	1.084	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C1CCC1	732141976	ZXYWSHIQPFXDNI-NSHDSACASA-N	319.336	1.126	50	20	DDGD	
CCn1nc(C2CC2)cc1C(=O)NNc1ncncc1Cl	907604245	OIFDSVIAOAFNCZ-UHFFFAOYSA-N	306.757	1.981	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccccc1N1CCCC1=O	494658519	GXZBTTOYGSJTPE-UHFFFAOYSA-N	306.322	1.596	50	20	DDGD	
CC(=NNC(=O)CCNC(=O)OC(C)(C)C)[C@@]1(C)CCCO1	496066082	JRFHDXZHNPSNGX-OAHLLOKOSA-N	313.398	1.962	50	20	DDGD	
CCn1cc(C=NNC(=O)COc2ccc(OC)cc2)cn1	732527758	IVTSWSMQEKJFTM-UHFFFAOYSA-N	302.334	1.441	50	20	DDGD	
C[C@H](c1ccsc1)N1CCN(S(=O)(=O)CCl)CC1	831116060	UVXCCBCBNIVDDU-SNVBAGLBSA-N	308.856	1.953	50	20	DDGD	
Cc1cc(F)ccc1-n1ccc(C(=O)N2CC[C@H](B(O)O)C2)n1	585065324	XBIPKYXAJQLQTF-NSHDSACASA-N	317.129	1.009	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2ccc(C(=O)O)nc2)c1	833728713	JAPUEDZLRWMBSL-UHFFFAOYSA-N	305.265	1.684	50	20	DDGD	
COCCOc1ccc(C=NNC(=O)N2CCOCC2)cc1	730462727	OBYKZUBCVXIBPC-UHFFFAOYSA-N	307.350	1.088	50	20	DDGD	
O=C(NCB(O)O)C1(c2cccc(OC(F)(F)F)c2)CCC1	585063147	SPWVWICOCYCAQL-UHFFFAOYSA-N	317.072	1.135	50	20	DDGD	
OB(O)c1ccc(CNCC2(C(F)(F)F)CCC2)c(F)c1	585040858	QSINRJFUWUFBEP-UHFFFAOYSA-N	305.080	1.328	50	20	DDGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](CC(=O)O)C1	833061678	FIMBSVZRPJDCBO-PCGBIVOZSA-N	317.301	1.635	50	20	DDGD	
O=C(CCc1ccc(C(=O)O)cc1)NNC(=O)CC(F)(F)F	739256588	ZWXUWODJSMBEQY-UHFFFAOYSA-N	318.251	1.417	50	20	DDGD	
C[C@@H]1CCC[C@@H](C)N1CC(=O)NNC(=O)c1ccc(C#N)cc1	839485962	DZTPPYUCAQNMGB-CHWSQXEVSA-N	314.389	1.582	50	20	DDGD	
O=C(C[C@H]1C[C@H]2CC[C@H]1O2)NNC(=O)c1cc2c(s1)CCC2	836214779	YFZRROAZYMFDQY-IJLUTSLNSA-N	320.414	1.955	50	20	DDGD	
CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(B(O)O)c(F)c1	584955906	RNNCVEAXLODYTL-XHDPSFHLSA-N	307.174	1.546	50	20	DDGD	
CC[C@@]1(C)COCCN1CC(=O)NNC(=O)c1ccc(F)cc1	839532229	KQWXQWHVYZLROJ-INIZCTEOSA-N	323.368	1.088	50	20	DDGD	
COc1ccc(F)cc1[C@@H](C)NCc1ccc(B(O)O)cc1	585016913	DRWXVIDKYJOKOV-LLVKDONJSA-N	303.142	1.365	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCCN(C)C2CC2)cc1F	838468691	TXSJEZLNSVKAIE-UHFFFAOYSA-N	324.356	1.333	50	20	DDGD	
CO[C@H]1CC(=NNC(=O)C(=O)Nc2ccc(C)cc2)C12CCC2	834936003	OEVFORBAEXFSCT-AWEZNQCLSA-N	315.373	1.995	50	20	DDGD	
Cc1cc(O[C@H](C)C(=O)N2CC[C@H](B(O)O)C2)ccc1Cl	585076579	NNOMWMXIZQMSIZ-MNOVXSKESA-N	311.574	1.491	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@H]2CCC[C@@H](C(=O)O)C2)c1	833073936	KMUMAQWXESIXED-QWHCGFSZSA-N	315.329	1.210	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)c2ccc(Cl)cc2)COC1	838697619	HDPCAEDBLMNKSH-UHFFFAOYSA-N	311.769	1.711	50	20	DDGD	
O=C(NN=Cc1csnn1)c1nn(-c2ccccc2)cc1O	915952192	OPHQQZQRIOLWCR-UHFFFAOYSA-N	314.330	1.193	50	20	DDGD	
O=C(CCCC[C@H]1CCSS1)N1CC[C@H](B(O)O)C1	585073966	GXCWJCCNLRQABR-QWRGUYRKSA-N	303.258	1.776	50	20	DDGD	
CO[C@H](C1CC1)[C@H](C)NC(=O)NNC(=O)c1cccc(C#N)c1	836277038	UCDLFXKWNDMRCM-HZMBPMFUSA-N	316.361	1.316	50	20	DDGD	
O=C(NN=Cc1ccccc1N1CCOCC1)c1cnccn1	912817814	UUYXAGRPRBFYMF-UHFFFAOYSA-N	311.345	1.077	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)Cc1ccccc1F)c1cnn(C)c1	839677333	QMSCVKACOWSZFH-LLVKDONJSA-N	318.352	1.443	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CN[C@@H]2CCC[C@@H]3C[C@@H]32)c1	830572135	DCFUJDOYSCMFLL-VHDGCEQUSA-N	312.373	1.097	50	20	DDGD	
CC[C@@](C)(CNC(=O)NNC(=O)CCc1ccccc1)OC	836579810	PYYPFVRYGHJKAE-INIZCTEOSA-N	307.394	1.765	50	20	DDGD	
CO[C@@H](C1CC1)[C@@H](C)NC(=O)NNc1nc2ccccn2n1	838700986	LIFHCPMCQLVGEI-BXKDBHETSA-N	304.354	1.169	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)Oc1ccc(F)c(F)c1	743751344	IPAITGBCEWBJTL-VIFPVBQESA-N	300.305	1.926	50	20	DDGD	
CCN(CC(=O)NNc1ccc(CC(=O)OC)cc1)C1CC1	846373607	AQVGHLQITNEWNL-UHFFFAOYSA-N	305.378	1.330	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NN=Cc2cnn(C)c2)cc1	917211679	IAOCIEGWRFDNCF-GFCCVEGCSA-N	316.361	1.736	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)ccc1[N+](=O)[O-]	843638906	FEOALJAGMBUMFP-KOLCDFICSA-N	307.306	1.089	50	20	DDGD	
CN(C)C(=O)[C@@H]1CCN(C(=O)[C@@]2(C)C[C@H]2Br)C1	910424199	LXZMRRGBZXMRNI-LNLATYFQSA-N	303.200	1.097	50	20	DDGD	
C[C@@H](CN)NC(=O)NNc1c(F)cc(F)cc1Br	841982954	LDRNVNJHZGDZMK-YFKPBYRVSA-N	323.141	1.701	50	20	DDGD	
CC[C@@H](N)CNC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	842007575	QMTXQABAYOOXRF-GXSJLCMTSA-N	324.450	1.554	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=C2CCSCC2)C[C@@H](C)O1	916370885	GTXHEEBYCOXZPP-RWMBFGLXSA-N	313.467	1.731	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@H]2CCC[C@H](N)C2)cc1	841981001	OESNHKNUFXXXON-JQWIXIFHSA-N	321.381	1.301	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)NCc2ccc(Cl)cc2)C1	843862529	FHFRFNLCOBFYDS-JTQLQIEISA-N	309.753	1.540	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@@H]1CC[C@@H]2CNC[C@H]2C1	842014058	CEGUVOMSBFMIRU-OPRDCNLKSA-N	310.789	1.144	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)N2CCOCC2)c(OC)c1	745602795	OZCOHHINNGKHGM-UHFFFAOYSA-N	307.350	1.470	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C1=CCCCO1	742223538	FGGYZTOQANIBQF-UHFFFAOYSA-N	320.345	1.306	50	20	DDGD	
Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NNC(=O)NCC1CC1	843775280	UBBRKGNYVYLOJD-UHFFFAOYSA-N	310.285	1.396	50	20	DDGD	
O=C(NNc1ncncc1Cl)N[C@@H]1CCCN2CCCC[C@H]12	848674954	MYYCKEKJFGIRAT-VXGBXAGGSA-N	324.816	1.773	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](C)C(=O)OC(C)(C)C)n1	840374352	NVOBZSKYHSIMQM-SECBINFHSA-N	310.354	1.215	50	20	DDGD	
COc1csc(C(=O)NNC(=O)COc2ccccc2F)c1	746816168	NTNSHNLGOFSMKS-UHFFFAOYSA-N	324.333	1.736	50	20	DDGD	
Cc1c(NNC(=O)CCN2CCCC2=O)cccc1[N+](=O)[O-]	748673395	JUQKDXMEFIJCPA-UHFFFAOYSA-N	306.322	1.359	50	20	DDGD	
C[C@H](N)[C@H]1CN(C(=O)[C@H](Br)C(C)(C)C)CCO1	843357674	URIWKUPRFXFART-AEJSXWLSSA-N	307.232	1.371	50	20	DDGD	
CCc1cccc(OCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	843647625	OMKWOWIBOJXBOE-BXUZGUMPSA-N	306.362	1.200	50	20	DDGD	
O=C(NN=C1CCN(Cc2ccccc2)C1=O)c1cccnc1	743418218	XFOUJBWFSZKEOP-UHFFFAOYSA-N	308.341	1.600	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2cc(F)c(F)cc2F)CCN1	841989319	VAJXRUGZCMWIKJ-SFYZADRCSA-N	302.300	1.871	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2nn(C)cc2C)c1	840237620	NXVNNLCCMVATAE-UHFFFAOYSA-N	316.361	1.185	50	20	DDGD	
Cc1cccc(CSCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	843648743	RIUSLEPXVZPLHG-JSGCOSHPSA-N	322.430	1.801	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)CCN1C	741457845	VYECAATWZQBZPA-SECBINFHSA-N	305.338	1.377	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@H](C)c1ccc(-n2cccn2)cc1	743710388	OIHVEPZOJCAUTJ-GFCCVEGCSA-N	315.377	1.920	50	20	DDGD	
COCC1(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1	843515562	OJJKXASTIKIHOC-UHFFFAOYSA-N	307.306	1.173	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1ccc(C(F)(F)F)cn1	743471107	RABPHZVLEGEZNF-UHFFFAOYSA-N	323.238	1.524	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cc(Cl)nc(Cl)c1	745991661	BLEAFFLMLQIMSC-UHFFFAOYSA-N	319.148	1.075	50	20	DDGD	
CCC[C@H](C(=O)OCC)S(=O)(=O)NNC(=O)CC(C)(C)C	844653499	HDUUAEKMBJNDMK-SNVBAGLBSA-N	322.427	1.105	50	20	DDGD	
CC(C[C@H](C)NC(=O)OC(C)(C)C)=NNC(=O)c1cc[nH]n1	853392216	LCOHAQZUMRZCMN-VIFPVBQESA-N	309.370	1.819	50	20	DDGD	
CO[C@@]1(C)C[C@H]1NC(=O)NNC(=O)c1c[nH]c2ccccc12	852686886	BHLZRGFNCOBYPD-DOMZBBRYSA-N	302.334	1.289	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCn2c(nnc2C(C)(C)C)C1	852086991	ZDCNLZWHNNQMGZ-UHFFFAOYSA-N	322.413	1.178	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCc1cccc(OC(C)(C)C)n1	854924654	MTWVWPNCQXIRCV-UHFFFAOYSA-N	324.450	1.659	50	20	DDGD	
O=S(=O)(N[C@@H](CO)C1CC1)c1ccc(CCCCl)cc1	751419905	YPDMLHCOBDYVMM-AWEZNQCLSA-N	317.838	1.907	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)n2cccn2)c2ccccc2n1	920436772	DGSQHSLYDCOJEP-LBPRGKRZSA-N	323.356	1.762	50	20	DDGD	
COc1cc(C(=O)NNc2cnnn2C)ccc1C(F)(F)F	857270022	LVWYLSHLDNWPIL-UHFFFAOYSA-N	315.255	1.599	50	20	DDGD	
C[C@@]1(CNC(=O)c2nnc3ccccc3n2)C[C@@H]1Br	857390267	CSRCXTLBISQIGQ-GWCFXTLKSA-N	321.178	1.928	50	20	DDGD	
CCC[C@H](CNC(=O)NNC(=O)c1ccc(C#N)cc1)OCC	858164458	YESDOTYMKGJRRL-CQSZACIVSA-N	318.377	1.707	50	20	DDGD	
C[C@H](O)CNc1cc(NC[C@@]2(C)C[C@H]2Br)ncn1	856788049	UMOYDDDQJWTGTR-YGOYTEALSA-N	315.215	1.855	50	20	DDGD	
C[C@@H]1C[C@H]1C=NNC(=O)CCN1CCN(c2ccccc2)CC1	758358898	MODSALDBOOMFQJ-CVEARBPZSA-N	314.433	1.957	50	20	DDGD	
COCc1ncsc1C(=O)NNC(=S)N[C@H](C)C1CC1	855097052	ILJUCSWOIOITIH-SSDOTTSWSA-N	314.436	1.197	50	20	DDGD	
CNC[C@@H](C)NC(=O)NNC(=O)c1cc2c(s1)CCCCC2	851680655	JZAIEIRXMVNBDL-SNVBAGLBSA-N	324.450	1.569	50	20	DDGD	
C[C@@]1(CNC(=O)NCc2ccc(O)nn2)C[C@H]1Br	856907667	CWYUWXTUFJQFIT-KCJUWKMLSA-N	315.171	1.155	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NC[C@@]1(C)C[C@@H]1Br	857401709	MJPXKJAJQJONNW-WCBMZHEXSA-N	312.229	1.101	50	20	DDGD	
CC(C)(C)n1cnc(C(=O)NC[C@]2(C)C[C@H]2Br)n1	857387289	GVFVHEUCZAAODF-PELKAZGASA-N	315.215	1.936	50	20	DDGD	
C[C@@]1(CNC(=O)N2[C@H]3CC[C@H]2COC3)C[C@@H]1Br	856892496	GDLHNORQGBHAJG-GMOBBJLQSA-N	303.200	1.733	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)OCC(F)(F)F)c(C(C)C)n1	856023344	GDPQWGJTVBMXDB-UHFFFAOYSA-N	320.271	1.842	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ncccc2C(F)(F)F)CCN1	754468576	UNGCKHGFISFXLA-SSDOTTSWSA-N	302.256	1.070	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNC(=O)OC(C)(C)C)c1cnn(C)c1	927413940	XEHWIAMVTXTIKA-LLVKDONJSA-N	311.386	1.856	50	20	DDGD	
COc1cc(C=NNC(=O)c2c[nH]nc2C)c2c(c1)C[C@@H](C)O2	755730797	OGYZPNBGWAFNDX-SECBINFHSA-N	314.345	1.814	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)n1	858148639	FSBWSPWUBIOOPM-BHYGNILZSA-N	324.384	1.233	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCC1(C)OCCO1	759211609	OQHGPKZDSUHZIJ-UHFFFAOYSA-N	307.350	1.092	50	20	DDGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCC2(C1)OCCO2	750043715	XBKATUKKODILKU-CPSFFCFKSA-N	301.302	1.908	50	20	DDGD	
Cc1nc(N2CCOCC2)sc1C(=O)NN=C[C@H]1C[C@H]1C	758364988	JFAASIFQGCGDCB-MWLCHTKSSA-N	308.407	1.660	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@@]2(C)C[C@@H]2Br)CCCNC1	857104134	QTLVAEWLDQINLH-WCFLWFBJSA-N	318.259	1.849	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)Nc1cccc2c1CCCC2	755391227	CBMJAWICGQRJAW-UHFFFAOYSA-N	313.361	1.684	50	20	DDGD	
C[C@H]1Cc2cc(C(=O)NNC(=O)[C@H]3CCCCO3)ccc2O1	854682900	HKYTVUMCLJAKIS-IINYFYTJSA-N	304.346	1.340	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(F)cc1OCC(F)F	757889464	IOHGOYGETIPBJX-UHFFFAOYSA-N	321.255	1.269	50	20	DDGD	
Cc1nnc(NNC(=O)CCc2ccc(F)cc2F)nc1O	752611022	JKOPOBHLSPZNDY-UHFFFAOYSA-N	309.276	1.240	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=C1CCCn2nccc21	853328137	ACOZOLOUVYBFHL-UHFFFAOYSA-N	307.354	1.022	50	20	DDGD	
CCCn1cc(C(=O)NC[C@]2(C)C[C@@H]2Br)nn1	857395914	VSTGSYDHVIGZFY-ONGXEEELSA-N	301.188	1.591	50	20	DDGD	
C[C@H](COCC1CCCCC1)NCC(=O)NNC(=O)C1CC1	932421925	SXVSTBOSLGHAJN-GFCCVEGCSA-N	311.426	1.119	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)COCc2ccccc2)s1	755734760	VXINXCCPHUJHJX-UHFFFAOYSA-N	318.402	1.876	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=C1CN(C2CC2)C[C@H]1C	755879088	IXSLKEJWILXACS-LLVKDONJSA-N	311.389	1.843	50	20	DDGD	
C#CCOCCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	755398524	OPTKYARSGUTFOH-UHFFFAOYSA-N	304.390	1.390	50	20	DDGD	
CC(CN1C(=O)CCC1=O)=NNC(=O)CCCc1ccccc1	754945108	VUCPWZNIGVMJRD-UHFFFAOYSA-N	315.373	1.650	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cc(C(=O)OC)sc1C	931714428	YUMOMDABLKPCII-UHFFFAOYSA-N	323.374	1.799	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H](C)OCc2ccncc2)n1	867923424	GAPVAFIAHGBRSD-GFCCVEGCSA-N	314.345	1.151	50	20	DDGD	
C[C@@H](NNC(=O)C(C)(C)NC(=O)C(F)(F)F)C(F)(F)F	862318282	QJDGGRRRTBLYSL-SCSAIBSYSA-N	309.210	1.015	50	20	DDGD	
CNc1c(C(=O)NNc2ccnc(F)c2)cccc1[N+](=O)[O-]	765664013	XIYWRLHPUODEHA-UHFFFAOYSA-N	305.269	1.928	50	20	DDGD	
CCc1ncncc1C(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	768332522	WGJAQAVVCIOHEY-UHFFFAOYSA-N	317.305	1.713	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)c1cncc(O)c1	765404434	VGBFTRWMOPUGBL-UHFFFAOYSA-N	319.342	1.046	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc(Cl)c(N(C)C)c1	932742635	UCDFSTNIPFABEM-UHFFFAOYSA-N	313.789	1.120	50	20	DDGD	
COCCc1ccc(S(=O)(=O)NCC(Cl)Cl)cc1	867471635	NWPUFRPERHCZQX-UHFFFAOYSA-N	312.218	1.958	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@@H]2C)nc1	860445961	JLURWKQKWMYWLT-YVNDNENWSA-N	307.350	1.371	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)n1	861460285	AGQOOIPBXZGYJV-CWRNSKLLSA-N	307.353	1.737	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C(C2CCC2)C2CCC2)n[nH]1	869015908	CKPRRZFRUNPNDS-UHFFFAOYSA-N	304.394	1.624	50	20	DDGD	
O=C(CCCOC1CCOCC1)NNc1ncncc1Cl	867652352	DOIHVLOHTXDMON-UHFFFAOYSA-N	314.773	1.549	50	20	DDGD	
C[C@@H](NNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C(F)(F)F	862318191	PZQIQGNQOOLYKK-SCSAIBSYSA-N	310.207	1.501	50	20	DDGD	
CC(C)n1cc2c(n1)[C@@H](NC(=O)NNc1cccnn1)CCC2	765934771	ZWZLMQMOMAVEBI-LBPRGKRZSA-N	315.381	1.958	50	20	DDGD	
COC(=O)c1ccc(COc2ccc(B(O)O)cc2)cc1Cl	864048257	LJHKYAJLXXVAIO-UHFFFAOYSA-N	320.537	1.385	50	20	DDGD	
CCc1c(NC(=O)c2ccc(B(O)O)cc2)cnn1CC(C)C	866995591	IRLPNISSCFFLAJ-UHFFFAOYSA-N	315.182	1.034	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@H]1C[C@]12CCOC2)c1ccccc1	763468182	UKKDCXBUVFPOSK-GUYCJALGSA-N	302.374	1.538	50	20	DDGD	
C[C@H](NNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C(F)(F)F	862322999	OAOAWYSODGVOEL-RCOVLWMOSA-N	307.228	1.200	50	20	DDGD	
Cc1nnc(-c2cccc(NCc3ccc(B(O)O)cc3)c2)o1	864028612	VLNSCAMTLXOVON-UHFFFAOYSA-N	309.134	1.337	50	20	DDGD	
C[C@H](OCc1ccncc1)C(=O)NN(C)C(=O)OC(C)(C)C	868857559	TZFKIHPWZLCGMO-NSHDSACASA-N	309.366	1.885	50	20	DDGD	
C[C@@H]1CCCN(S(=O)(=O)CC(C)(C)CCl)[C@H]1C(=O)O	864497272	MEBTXUUDWZLQOV-NXEZZACHSA-N	311.831	1.766	50	20	DDGD	
CC(C)n1ncc2cc(NCc3cccc(B(O)O)c3)ccc21	864028312	NHYUPCVIXHKFGD-UHFFFAOYSA-N	309.178	1.909	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C(C)(C)O)c(OC(C)C)c1	768246446	YUGIDVXGBMFYPV-UHFFFAOYSA-N	310.350	1.014	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@H]2CCCC(F)(F)C2)c1Cl	1116933422	VAEHURCUTNUSQF-LURJTMIESA-N	305.716	1.981	50	20	DDGD	
O=S(=O)(NCC#CCO)c1ccc(CCCCl)cc1	867467875	WQOGSPSIEFVHOU-UHFFFAOYSA-N	301.795	1.132	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)NC2CC=CC2)cc1	760212870	SNJHXRBNYOHTIV-UHFFFAOYSA-N	305.334	1.123	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2cnccc2N(C)C)CC1	1116488420	SFCZHFBLHUOWJG-UHFFFAOYSA-N	317.437	1.720	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1	878769665	SPUPMOPXSBKCSQ-UHFFFAOYSA-N	321.356	1.935	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NC/C=C/C1CC1	1117864840	ZHJNFJYGZGAZJG-VUDBWIFFSA-N	321.352	1.890	50	20	DDGD	
CC(F)(F)CCC(=O)NNC(=O)CCNC(=O)OC(C)(C)C	760438478	VEGIWSCQZFUGPU-UHFFFAOYSA-N	323.340	1.484	50	20	DDGD	
Cc1cccc(O)c1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1118803203	BHJZDKAWWCNRAF-UHFFFAOYSA-N	314.345	1.377	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CN(C)CC(C)(C)C)c1	873772052	FCQGYWMUHRGAMV-UHFFFAOYSA-N	321.421	1.499	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)COCc2ccccc2)sc1C	770512568	MHTDTRHPGKGUFK-UHFFFAOYSA-N	319.386	1.738	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H](C)CCSC)cc1	1116104653	CSQPZCHCUKWAFT-JTQLQIEISA-N	311.407	1.781	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)Nc1ccncn1	770762852	HCZMSTPPJLTSRU-SECBINFHSA-N	319.296	1.236	50	20	DDGD	
O=S(=O)(NC[C@H]1C[C@H](O)C1)c1ccc(CCCCl)cc1	872578476	HQOMLDZZANTTAT-JOCQHMNTSA-N	317.838	1.907	50	20	DDGD	
Cc1nnc(CNC(=O)NNc2cccc(F)c2Cl)n1C	1119199413	BLOBBZRRKVHGCE-UHFFFAOYSA-N	312.736	1.742	50	20	DDGD	
CC(C)c1nocc1C(=O)NNC(=O)Cc1ccccc1F	1118821379	FZDBUUROXVOODQ-UHFFFAOYSA-N	305.309	1.941	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1cc(F)c(F)cc1F)[C@H]1CCCO1	776232920	UODXAALOKYJSAN-DGCLKSJQSA-N	313.279	1.911	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Cc2n[nH]c3c2CCCC3)c1	777244577	DOHYFLWUFKOXBZ-UHFFFAOYSA-N	323.356	1.164	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)c1ccn(C(F)F)n1	776230862	BFBJDFMTSKXJSP-UHFFFAOYSA-N	320.259	1.684	50	20	DDGD	
COCCC[C@@H](C)C(=O)OCC(=O)NNC(=O)c1ccccc1	778195866	NYNMDZHOSGNSAK-GFCCVEGCSA-N	322.361	1.054	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)/C=C\c1ccccc1C#N	771970152	JBOIKRVNICYZMO-IQQGHNRFSA-N	315.329	1.061	50	20	DDGD	
O=C(CNC(=O)C1CC1)NNc1ccc(C(F)(F)F)cn1	775255776	YUWYHJCPTDIHKT-UHFFFAOYSA-N	302.256	1.070	50	20	DDGD	
O=S(=O)(CCCCl)N[C@H]1CCN(c2ncccc2F)C1	881983038	QAYFATLPQXHKFU-JTQLQIEISA-N	321.805	1.348	50	20	DDGD	
CN1CCN(S(=O)(=O)CCCCl)C2(CCCCC2)C1	881970453	QEHDKIDPZWBHMW-UHFFFAOYSA-N	308.875	1.895	50	20	DDGD	
COCCCNC(=O)COC(=O)/C(C#N)=C/c1ccccc1	785365031	FCVQZYGKSXAONO-GXDHUFHOSA-N	302.330	1.289	50	20	DDGD	
Cc1nscc1C(=O)NNC(=O)c1ccc2c(c1)OCO2	781237742	KUCVDGJSEVNHQE-UHFFFAOYSA-N	305.315	1.255	50	20	DDGD	
CN[C@@H](CC(C)C)C(=O)NNc1nc2ccccc2c(=O)n1C	884058897	YCSQTUVJYNDCKM-ZDUSSCGKSA-N	317.393	1.011	50	20	DDGD	
O=S(=O)(CCCCCl)NC[C@H](O)COc1ccccc1	780785838	CSWPHNZTVVMQRL-LBPRGKRZSA-N	321.826	1.365	50	20	DDGD	
O=C(NN=CCC1CCOCC1)[C@@H]1COc2ccccc2O1	788698525	FPIXLJJLLHPUPX-HNNXBMFYSA-N	304.346	1.745	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2ccnc(Br)c2)CO1	784529071	SCKKCORDKZDCFJ-JGVFFNPUSA-N	300.156	1.712	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2=C(C)N(C(C)C)CC2)cc1	1120354444	FQJVIWILHXYHOT-UHFFFAOYSA-N	317.389	1.844	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc([N+](=O)[O-])s1	782229153	PZHNUTUIQHSBIV-MRVPVSSYSA-N	301.324	1.158	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CCCOc2cc(F)ccc21	781588597	XCGQUZYROKEHCT-UHFFFAOYSA-N	307.325	1.343	50	20	DDGD	
CC(C)Cn1cc(C(=O)NNC(=O)c2cccc(C#N)c2)cn1	781647581	WOOILQYHLNMTIM-UHFFFAOYSA-N	311.345	1.486	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NC[C@]1(O)CCSC1	781095864	BJFRNJNUVYQRGZ-LDYMZIIASA-N	310.257	1.780	50	20	DDGD	
COc1cccc([C@H](O)C(=O)NNC(=S)NC(C)(C)C)c1	899996926	YSTNKJMFDSKGJO-NSHDSACASA-N	311.407	1.022	50	20	DDGD	
C[C@@H](NNC(=O)C[C@H]1NC(=O)c2ccccc21)C(F)(F)F	897877503	WOXBUKLMENYOND-GMSGAONNSA-N	301.268	1.433	50	20	DDGD	
C[C@H]1CC[C@H](NC(=O)NNC(=O)COc2ccccc2F)C1	780783458	CUDWUAUIXXZHCS-QWRGUYRKSA-N	309.341	1.724	50	20	DDGD	
CCCOc1cccc(NC(=O)C(=O)NNc2cccnn2)c1	784857938	AFSQUBONDBGLQE-UHFFFAOYSA-N	315.333	1.347	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CC[C@H](C)OC)cc1OC	782184128	GSNIEZHXRCBWDE-JTQLQIEISA-N	310.350	1.280	50	20	DDGD	
CN(C[C@H]1CCCC[C@@H]1O)S(=O)(=O)CBr	782476566	CYRZOXLQYYSWOG-BDAKNGLRSA-N	300.218	1.152	50	20	DDGD	
CCCC(=O)N1CSC[C@H]1C(=O)NNc1ccc(C#N)cn1	899662127	NFKPVNPVDZUZLO-NSHDSACASA-N	319.390	1.098	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)NCc1ccc(F)cc1	791213915	PRMMSTURKLPKMZ-UHFFFAOYSA-N	302.309	1.289	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)c2ccc3ccccc3n2)cnn1C	794198457	GTNPREIYFJEBHK-UHFFFAOYSA-N	323.356	1.280	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@]1(C)CCc2ccccc2C1	798305633	YKWZJPILSXZWIQ-MRXNPFEDSA-N	303.431	1.863	50	20	DDGD	
C[C@@H](NNC(=O)C[C@@H]1NC(=O)c2ccccc21)C(F)(F)F	897877505	WOXBUKLMENYOND-XCBNKYQSSA-N	301.268	1.433	50	20	DDGD	
O=C(OCC1CC1)Oc1ccc([N+](=O)[O-])cc1-n1cnnn1	790042599	QNAMSIVVUVXSTK-UHFFFAOYSA-N	305.250	1.496	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCCCC1)c1ccnc(O)c1	790288508	SIOCHCATDVTZFY-GFCCVEGCSA-N	304.394	1.749	50	20	DDGD	
N#C/C(=C\c1ccccc1)C(=O)OC[C@H]1CCCS(=O)(=O)C1	792184750	VIMFRZDOXAVNHH-UWZYDCLUSA-N	319.382	1.962	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)cc1	799914850	CDKURKKDHPJKGM-BFQNTYOBSA-N	320.389	1.589	50	20	DDGD	
O=C(/C=C\c1ccco1)NNC(=O)c1ccc2c(c1)OCCO2	791011576	UUUJHDWLYWXIMV-XQRVVYSFSA-N	314.297	1.525	50	20	DDGD	
CN1[C@H]2CC[C@H]1CN(S(=O)(=O)CC(C)(C)CCl)CC2	1335531543	UOUBUBJZWIIAFE-RYUDHWBXSA-N	308.875	1.750	50	20	DDGD	
C[C@]1(CNC(=O)NNc2nncc(N)c2Cl)CCCS1	1319763899	VXBSRYWGKUGATB-LLVKDONJSA-N	316.818	1.624	50	20	DDGD	
O=C(CO[C@@H]1CCOC1)NNC(=O)c1cccc2ccccc12	1318922720	FEKLSFWEIVBIRU-CYBMUJFWSA-N	314.341	1.406	50	20	DDGD	
COC(=O)C(=O)NNC(=S)Nc1c(C)cc(C)cc1Cl	1323495577	GONUYYDVUKQXNF-UHFFFAOYSA-N	315.782	1.447	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1cc(Cl)cc2cccnc12	1321215051	JPHIEFYLAZEFON-UHFFFAOYSA-N	308.725	1.423	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CCC[C@H](F)C2)cc1	1326026111	BDONDLQRWSRDSG-QWHCGFSZSA-N	323.368	1.985	50	20	DDGD	
Cc1cnn(CC2CC2)c1NC(=O)NNC(=O)[C@H]1CCCCO1	1324584373	YONLOUZNHDJJSY-GFCCVEGCSA-N	321.381	1.323	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Nc2ccnc(C)n2)cc1	1320429769	VTHDFNNODXITON-UHFFFAOYSA-N	301.306	1.260	50	20	DDGD	
CO[C@H]1CCC[C@H]1C(=O)NNC(=O)c1cccc2cccnc12	1336316444	QLCVLDBYZPLOHY-OCCSQVGLSA-N	313.357	1.811	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)c2cccc(C#N)c2)ccc1C#N	1338544137	WDDRYEPNHLWEJH-UHFFFAOYSA-N	305.297	1.208	50	20	DDGD	
C[C@@]1(CNc2ccc(S(N)(=O)=O)cc2)C[C@H]1Br	1336685570	HZXQSKPNDNKMLV-MNOVXSKESA-N	319.224	1.919	50	20	DDGD	
COCc1nocc1C(=O)NNc1ccc(F)c(F)c1F	1330138272	QCNCOMHCTRIBFZ-UHFFFAOYSA-N	301.224	1.995	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ccc(F)c(F)c2F)c1Cl	1340554298	IFQZMBKEYVCAMB-UHFFFAOYSA-N	317.658	1.886	50	20	DDGD	
COc1ccccc1C(=O)NN=Cc1c(Cl)nc(OC)n1C	1343881181	CICFBUAPNAOWRJ-UHFFFAOYSA-N	322.752	1.855	50	20	DDGD	
C[C@H]1C[C@@H](C)CN1C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1347966826	JHFXFNQVXWKUPN-BSTOTGJRSA-N	317.227	1.533	50	20	DDGD	
CN[C@@H](C)CCNC(=O)NNC(=O)COc1cc(C)cc(C)c1	1348560793	HTISINHHAUFEGZ-ZDUSSCGKSA-N	322.409	1.011	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cnn(C3CCC3)c2)nc1	1608904669	CZPCQPPRLKNSGB-UHFFFAOYSA-N	301.306	1.458	50	20	DDGD	
O=C(NCC1(C(=O)O)CCCCC1)NNc1cccc(F)n1	1608427389	LWCGUZBVSCYKHV-UHFFFAOYSA-N	310.329	1.882	50	20	DDGD	
CC(C)c1ccc(C[C@H](C)NC(=O)NNC(=O)C(=O)O)cc1	1609751165	OKZSJOJRUVLMTA-JTQLQIEISA-N	307.350	1.156	50	20	DDGD	
O=C(O)c1cccc(CCNS(=O)(=O)CCCCl)c1	1602435738	PVNZVFJIWPEPQR-UHFFFAOYSA-N	305.783	1.476	50	20	DDGD	
Cc1cc(/C=C(/C#N)C(N)=C(C#N)C#N)cc(C)c1OCC(=O)O	1607634417	HFVAGLAJSSWPRM-ACAGNQJTSA-N	322.324	1.934	50	20	DDGD	
O=C(O)c1cc(OC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)ccc1[N+](=O)[O-]	1602288065	AJAURJCDCCWXRZ-IAUWMGRQSA-N	319.269	1.622	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccc(F)c(C(=O)O)c2)c1Cl	1608155977	UQDCSSCIKMNVRN-UHFFFAOYSA-N	312.688	1.668	50	20	DDGD	
O=C(O)c1cc(NNC(=O)c2c(F)ccc(O)c2O)ccc1F	1608856540	BTEGGAAGAZREON-UHFFFAOYSA-N	324.239	1.831	50	20	DDGD	
CCCn1cc(C(=O)NNc2ccc(C)c(C(=O)O)c2)nn1	1605385094	KQSTXWAWQXXTBO-UHFFFAOYSA-N	303.322	1.452	50	20	DDGD	
C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CO[Si](C)(C)C)C2	1801599718	LGGRXUKOFIXOIH-CLLJXQQHSA-N	308.454	1.109	50	20	DDGD	
Cn1nncc1C=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccccc1	1549082995	GSFOZPMNSNPSIS-HUUCEWRRSA-N	313.361	1.433	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C=NNC(=O)[C@H]1CCCO1	1552453661	QAQFGSRIKUSGSV-JHJVBQTASA-N	306.366	1.169	50	20	DDGD	
Cn1cccc1C(=O)NN=C[C@H]1CCCO[C@H]1c1ccnn1C	1552454724	VFOJWLNRDAAWQO-IUODEOHRSA-N	315.377	1.642	50	20	DDGD	
I[C@@H]1COC[C@@H]1OC[C@@H]1CCCCO1	228842667	ZMMJHCBQYBZMLC-AEJSXWLSSA-N	312.147	1.775	50	20	DDGD	
C=Cc1ccccc1NC(=O)NNC(=O)CCCc1cnn[nH]1	1575117528	NSIPLTLGTUIBDH-UHFFFAOYSA-N	314.349	1.623	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@@H]2CCC[C@@H](N)C2)cc1	1578427424	IUYKWOLEAQGMNJ-VXGBXAGGSA-N	319.409	1.423	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2C[C@H](N)C2(C)C)c1C	1579768424	WXIPOGRUIJGMLT-YPMHNXCESA-N	320.462	1.994	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2C[C@@H](C)CCN2)c1	1574767054	ZBAOQLSWORVQJN-FZMZJTMJSA-N	316.430	1.374	50	20	DDGD	
Cc1cccnc1NNC(=O)Cn1c(CN)nc2ccccc21	1579809158	SOHVQIRWUJQHHC-UHFFFAOYSA-N	310.361	1.342	50	20	DDGD	
O=C(C#CC1CCNCC1)NNc1ccnc(C(F)(F)F)c1	1580473558	GTHMLBZNSGARLJ-UHFFFAOYSA-N	312.295	1.547	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)C[C@@H]1NCc2ccccc21	1580557654	FVDAUXOLSNDGTF-INIZCTEOSA-N	324.384	1.481	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843363609	PKOUTOIQFJWXIN-NKWVEPMBSA-N	301.120	1.259	50	20	DDGD	
CC(=NNC(=O)c1ccccn1)c1ccccc1-c1nn[nH]n1	1588776548	RRURYTAGSGHGOW-UHFFFAOYSA-N	307.317	1.416	50	20	DDGD	
C[C@H](CC(=O)O)CC(=O)NNc1cccc(S(C)(=O)=O)c1	1592392081	XHBAEBBSRLXTFZ-VIFPVBQESA-N	314.363	1.034	50	20	DDGD	
C[C@@]1(C(=O)NCCSCCC(=O)O)C[C@H]1Br	1593753458	ACOWGSCONLXDTI-GMSGAONNSA-N	310.213	1.484	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)O)CCCCCC1)c1ccncc1	1594782640	CWMPCDHHRDJRTE-UHFFFAOYSA-N	305.334	1.268	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1cccc(C(=O)O)c1C)C1CC1	1599051592	ZCTSLISPZHWCQH-ZDUSSCGKSA-N	307.350	1.744	50	20	DDGD	
O=C(NN=Cc1cccn2c(C(=O)O)cnc12)c1ccc(O)cc1	1776012487	GPTGQJWOYOSTJN-UHFFFAOYSA-N	324.296	1.502	50	20	DDGD	
N#C/C(=C\c1ccc(-n2cnc(C(=O)O)c2)cc1)C(=O)NC1CC1	1776127663	ABWYFNZGVONXOV-KPKJPENVSA-N	322.324	1.756	50	20	DDGD	
COc1ccc(C(=O)O)cc1C=NNC(=O)c1cccc(C)n1	1776057918	PIUVQQWHLYRPRB-UHFFFAOYSA-N	313.313	1.861	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc2c(c1)NC(=O)CS2	17398213	BVDWCGMGMFYJJC-UHFFFAOYSA-N	323.374	1.900	50	20	DDGD	
O=C(NN=C1CCSc2ccc(Cl)cc21)C(=O)NC1CC1	17680438	OEDLOHRFAJCKKL-UHFFFAOYSA-N	323.805	1.935	50	20	DDGD	
O=C(COc1ccccc1)NNC(=O)COc1ccc(F)cc1	18101310	KSMUTCQCHAVBTJ-UHFFFAOYSA-N	318.304	1.431	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=O)c1ccc[nH]1	162479661	CYFHOELTPXPHKZ-UHFFFAOYSA-N	303.278	1.698	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CCC(=O)NNc1cccc(C#N)c1	152530953	LCKJATNKEJZSFS-UHFFFAOYSA-N	314.305	1.505	50	20	DDGD	
O=C(CCC1CCCC1)NNc1nccc(N2CCOCC2)n1	155574777	AXWWYQWFYOEUSY-UHFFFAOYSA-N	319.409	1.727	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cccc(OCC(N)=O)c2)cc1	155199437	QMRKMJUFDCGHRE-UHFFFAOYSA-N	310.313	1.179	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1ccc2c(c1)CCCC2	156273651	ULXVGWQDNJUZFH-UHFFFAOYSA-N	308.345	1.989	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@H](N)CCSC)c1ccccc1	157320559	KDNOEYKTPYMWDQ-CHWSQXEVSA-N	309.435	1.408	50	20	DDGD	
Cc1ccsc1C(=O)NNc1nccc(N2CCOCC2)n1	155494302	VUIXWWGUMPUSDP-UHFFFAOYSA-N	319.390	1.440	50	20	DDGD	
Cc1ccc(CCC(=O)NNc2ccc(C(N)=O)nn2)c(C)c1	154274732	UEQLTXBMXJYBEK-UHFFFAOYSA-N	313.361	1.268	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)NC2CC=CC2)c1	154897563	JSPWQIFVNYYRBB-UHFFFAOYSA-N	303.362	1.731	50	20	DDGD	
O=C(NNc1ccccn1)Nc1ccnn1C[C@@H]1CCOC1	159084727	OOWFNSWHMOKGCO-NSHDSACASA-N	302.338	1.463	50	20	DDGD	
CC(C)[C@H]1C(=O)NCCN1C[C@H](CBr)C1CC1	859136144	ZMQFVOURDLTOMK-RYUDHWBXSA-N	303.244	1.864	50	20	DDGD	
CCOC(CCNS(=O)(=O)CBr)OCC	786897565	FDZGMXBLSLRSQP-UHFFFAOYSA-N	304.206	1.047	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2c(C)noc2C(C)C)n1	8300698	ONKGOBICSVECRS-UHFFFAOYSA-N	319.365	1.381	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccccc2F)cc1	8561963	RBPOCAZICZYZIK-UHFFFAOYSA-N	302.305	1.974	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)c1cc(Cl)ccc1O	175107186	TUEHNFHMWMGSIO-UHFFFAOYSA-N	312.753	1.789	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cc(C(C)=O)c[nH]1	55353872	SIPDHAVELUTSCP-UHFFFAOYSA-N	315.329	1.230	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CC1CCOCC1	117122916	ANYIVOKKVFWXAF-NSHDSACASA-N	324.352	1.557	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2C[C@H]2C2CC2)c(C)c1	175874679	JURNYUDSFXYNHB-UONOGXRCSA-N	301.390	1.909	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NNC(=O)NC1CCCC1	65919413	ZUEGOJWKKAYUHJ-UHFFFAOYSA-N	315.377	1.618	50	20	DDGD	
COc1ccc(SCCC(=O)NNC(=O)NCC2CC2)cc1	65192797	LTXCRCKZIGORRZ-UHFFFAOYSA-N	323.418	1.918	50	20	DDGD	
C=CCNC(=O)COC(=O)/C(C#N)=C/c1ccc(OCC)cc1	21748189	LPMNMRRDBFGSDN-GXDHUFHOSA-N	314.341	1.838	50	20	DDGD	
O=C(Cc1ccccc1[N+](=O)[O-])NNc1nccnc1Cl	114893568	GMGKXIRUENJVLU-UHFFFAOYSA-N	307.697	1.724	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2ccncc2)c1[N+](=O)[O-]	175792671	FLZODPQWIBXRFH-UHFFFAOYSA-N	314.301	1.302	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1	178971306	AGWBDYVXIAFNAM-JZMJITHDSA-N	309.410	1.436	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H](C)Cc1cccc(F)c1	68895345	BRFNBWVJZSDDLB-LLVKDONJSA-N	311.357	1.371	50	20	DDGD	
CCCN(C)C[C@H]1CCN(C(=O)NNC(=O)c2ccccc2)C1	176995907	RZTXLJPYURJAPB-CQSZACIVSA-N	318.421	1.705	50	20	DDGD	
COc1cccc(-c2cc(C(=O)NNC(=O)C(C)(C)C)[nH]n2)c1	177927340	MPXWNTBICYWGGK-UHFFFAOYSA-N	316.361	1.892	50	20	DDGD	
Cc1nn(C)cc1[C@@H](C)NC(=O)NNC(=O)c1ccccc1O	172600987	UQJLARLEPPSQBI-SECBINFHSA-N	317.349	1.139	50	20	DDGD	
C[C@@H](c1ccccc1)[C@@H](C)NC(=O)NNC(=O)c1cnn(C)c1	174890670	OFJYSGJMXVQSGW-VXGBXAGGSA-N	315.377	1.556	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)COc1ccc(F)cc1)C1CC1	171168538	UIJZLRVWDLYQPM-VIFPVBQESA-N	311.382	1.498	50	20	DDGD	
O=C(CSc1cccc[n+]1[O-])NNC(=O)c1ccc(F)cc1	33689908	WGEJLSNQCQSOAN-UHFFFAOYSA-N	321.333	1.012	50	20	DDGD	
C[C@H](NCC(=O)NNC(=O)c1ccc(F)cc1)c1cccnc1	181302757	GPANMKZKGWFGBR-NSHDSACASA-N	316.336	1.333	50	20	DDGD	
CNS(=O)(=O)[C@H]1CCCN(/C(=C/C#N)c2ccccc2)C1	79322591	SHSZMHPABPZUHN-AHSSXEFNSA-N	305.403	1.565	50	20	DDGD	
Cc1nc2ccccc2n1CCNC(=O)NNC(=O)C(C)(C)C	78942813	BHQXGWFJGVXJOV-UHFFFAOYSA-N	317.393	1.721	50	20	DDGD	
CCN(CC)c1ccc(CNC(=O)NNC(=O)C(C)(C)C)cn1	79182299	ITHSHEZYUBWNKV-UHFFFAOYSA-N	321.425	1.804	50	20	DDGD	
CC(C)(C)[S@](=O)CCNC(=O)NNc1cncc(Cl)n1	120202575	OLHACJLQQWQCJU-FQEVSTJZSA-N	319.818	1.303	50	20	DDGD	
COC1(CNC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)CCC1	183025065	STOYPZNMMFFUFY-VGOFMYFVSA-N	312.373	1.797	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2ccc(Cl)cn2)c1	128035933	GBJONEMTLQMJHO-UHFFFAOYSA-N	318.764	1.876	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)Cc2cccnc2)c(F)c1	125460161	RPRBPKKIGQRBJK-UHFFFAOYSA-N	316.336	1.290	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@H](COC)C1CC1)c1ccccc1	126811221	RZUZNCYWLNTKTC-LSDHHAIUSA-N	319.405	1.936	50	20	DDGD	
CCCOc1cccc(NC(=O)NNC(=O)c2cnn(C)c2)c1	183592404	RIHZTJNTOLGXRV-UHFFFAOYSA-N	317.349	1.675	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NC[C@H]1COC2(CCC(C)CC2)O1	182238783	WICMPAKBTMKJEZ-VQPLYHELSA-N	308.378	1.868	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(C(F)F)c1	124742658	MVPJLUWBNIQVAV-MRVPVSSYSA-N	313.304	1.756	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)Cn1nc2ccccn2c1=O	184309313	QGBSOCGXQIPNJV-UHFFFAOYSA-N	315.308	1.087	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(N2CCCC2)c(F)c1	184468400	FCJGMNXKNJCMAL-UHFFFAOYSA-N	324.356	1.615	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)NCC(F)(F)F)c1	46915790	MDVQWAYBLLACTA-UHFFFAOYSA-N	319.283	1.575	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNc1ccc2ccccc2n1	181087916	KQTHXLDFPSMKBF-UHFFFAOYSA-N	300.362	1.840	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1ccc(F)c(F)c1	79006723	VIROGDQHEFSDAF-PELKAZGASA-N	313.304	1.535	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H](C)n2cccn2)c1	44667809	OXQOMMJNHFXZOF-ZDUSSCGKSA-N	316.361	1.287	50	20	DDGD	
COCCCNC(=O)NNC(=O)COc1cc(C)cc(C)c1	42900594	QWHGOKZFCUHFSK-UHFFFAOYSA-N	309.366	1.049	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1ccncc1)C1CCCCC1	83233350	GTLVLQMLTLLAEH-LBPRGKRZSA-N	304.394	1.923	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)/C=C/c1ccc(Cl)nc1	131631292	NKSUZJIPNLOVAF-HWKANZROSA-N	305.725	1.241	50	20	DDGD	
O=C(CCC(=O)c1ccccc1)NNC(=O)Cc1ccncc1	82977585	XBWGGJLXUCFFIY-UHFFFAOYSA-N	311.341	1.435	50	20	DDGD	
CCn1cc(NC(=O)C(=O)NNc2ccccc2F)ccc1=O	137248706	CPZATNUDOXRCQY-UHFFFAOYSA-N	318.308	1.089	50	20	DDGD	
CCn1c(C)cc(C(=O)NNC(=O)c2ccccc2O)c1C	192983977	DLIKQNQLZUZOGQ-UHFFFAOYSA-N	301.346	1.905	50	20	DDGD	
O=C(NNC(=O)C1(c2ccccc2)CCCC1)N1CCOCC1	194898091	WFEBIJQXLRTCGN-UHFFFAOYSA-N	317.389	1.571	50	20	DDGD	
Cc1ccc(-c2ccc(C(=O)NNC(=O)C(C)(C)O)s2)o1	192932885	DASMXYQGZQQZGK-UHFFFAOYSA-N	308.359	1.848	50	20	DDGD	
Cc1cnn(CC(=O)NNC(=O)c2ccc3ccccc3c2)c1	147297386	QTFYAUMWXMPYDU-UHFFFAOYSA-N	308.341	1.806	50	20	DDGD	
COc1cccc(OCC(=O)NNc2nc3ccccn3n2)c1	191909317	KYMQKUZOHAYXAD-UHFFFAOYSA-N	313.317	1.260	50	20	DDGD	
O=C(NNc1cnccn1)Nc1cccc(C(=O)NC2CC2)c1	92225059	IQWNPMQFHASXQP-UHFFFAOYSA-N	312.333	1.517	50	20	DDGD	
O=C1OCC[C@@H]1NS(=O)(=O)c1ccc(CCCl)cc1	236017230	FJXKQKIKHWOBSQ-NSHDSACASA-N	303.767	1.062	50	20	DDGD	
O=S(=O)(CCCCCl)Nc1ccc(-n2cncn2)nc1	184763201	GOSJSIZURMSZRQ-UHFFFAOYSA-N	315.786	1.423	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)N[C@@H]1CC=CCC1	265548969	INYMCVQBMFUKCE-LLVKDONJSA-N	307.325	1.644	50	20	DDGD	
CCNC(=O)C(C)(C)CNC(=O)NNc1ccc(Cl)nc1	269477299	IDOWVLHTMFYIGV-UHFFFAOYSA-N	313.789	1.523	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNC(=O)c2ccccc2O)no1	266557111	IXVDIPIYXWPYKQ-UHFFFAOYSA-N	303.318	1.753	50	20	DDGD	
C[C@@H](NS(=O)(=O)c1ccc(CCCCl)cc1)C(N)=O	263767159	JHKOMJYXAOSMIT-SECBINFHSA-N	304.799	1.010	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@H](C)CSC	264503333	NONKBKBTSLWGJP-SNVBAGLBSA-N	312.391	1.221	50	20	DDGD	
Cc1ncc(-c2ccccc2)cc1NC(=O)NNC(=O)CO	359975913	RVWIHAJPPCJKGQ-UHFFFAOYSA-N	300.318	1.202	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccc(Cl)cc2C1)C1CCC1	264670360	GOHLOHABLLSOFX-NSHDSACASA-N	308.765	1.839	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H](C)[C@@H]2CCOC2)cc1	266850109	WXXVCRMOAINIOY-CHWSQXEVSA-N	321.377	1.129	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H]1CCCC[C@@H]1OC	266773994	QLKBOOVHKCPGSJ-OCCSQVGLSA-N	321.377	1.597	50	20	DDGD	
NC(=O)CCCC(=O)NNc1ccc([N+](=O)[O-])cc1Cl	279907330	PKNYVPXIVYESAI-UHFFFAOYSA-N	300.702	1.347	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccc(OC(C)(C)C)cc1	274198057	LEIKYJSAADGUER-UHFFFAOYSA-N	309.322	1.190	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc3c2OCC3(C)C)[nH]n1	278846273	XISVNDJAUOEHSS-UHFFFAOYSA-N	314.345	1.463	50	20	DDGD	
N#CC1=CCN(C(=O)[C@@H]2CCCN(CC(F)(F)F)C2)CC1	272713960	YKGTYGMLFMOGEM-GFCCVEGCSA-N	301.312	1.943	50	20	DDGD	
C=CCCCCNC(=O)NNC(=O)Cc1ccccc1OC	274627484	YDHFKSJNNKUIKG-UHFFFAOYSA-N	305.378	1.924	50	20	DDGD	
CC(C)(C)OC(=O)NNS(=O)(=O)c1c[nH]c2ncccc12	274047979	FOQVDPBNZOVLDK-UHFFFAOYSA-N	312.351	1.281	50	20	DDGD	
CCN1CCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)CC1=O	273571045	YABLGPFCLQMUIQ-MKMNVTDBSA-N	300.318	1.623	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@H]2CSCCS2)n1	273457525	IDWUPXCSJHHFMT-RXMQYKEDSA-N	305.816	1.004	50	20	DDGD	
COCCN(C)NC(=O)Nc1ncc(Oc2ccccc2)cn1	1350232078	HZGBMNCHQHQOGM-UHFFFAOYSA-N	317.349	1.884	50	20	DDGD	
CSSCCNC(=O)NC[C@H](O)Cc1ccccc1	284121078	HGVPFOMIQQASFZ-GFCCVEGCSA-N	300.449	1.900	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)[C@H](F)C(F)(F)F	289484829	ISWPEEMFCLBNMC-JTQLQIEISA-N	318.230	1.084	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCC(F)(F)F)c(C(C)(C)C)n1	281305017	RRUAPIBORPJIOQ-UHFFFAOYSA-N	321.303	1.224	50	20	DDGD	
COc1cccc(C(=O)NCC(=O)NCC(Cl)Cl)c1	288263976	PXTCAUVLMCIOMN-UHFFFAOYSA-N	305.161	1.345	50	20	DDGD	
C[C@H](CF)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1c1ccccc1	288193636	BRDZWWGJMVTXHV-KGYLQXTDSA-N	309.341	1.453	50	20	DDGD	
O=C(Cc1cccc2cccnc12)NNC(=O)N=c1cc[nH]cc1	802030627	LLRTYQBTANGQHJ-UHFFFAOYSA-N	321.340	1.447	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)n1C	802102622	AAGBQPRNMPVIMV-UHFFFAOYSA-N	316.317	1.529	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H](C(=O)NNc2cccc(F)c2F)O1	290188631	AABDWLWDBNPYDU-VHSXEESVSA-N	300.261	1.129	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(C(C)C)nc1C	294076837	KZUAXLVDXPEUEA-UHFFFAOYSA-N	308.382	1.494	50	20	DDGD	
CCOC(=O)CC(C)(C)CC(=O)NNc1ncnc2[nH]cnc12	806892042	BFYKUSCNBJCDHF-UHFFFAOYSA-N	320.353	1.166	50	20	DDGD	
O=C(CCCc1nc2ccccc2[nH]1)NNC(=O)CC1CC1	294062451	GPRZFSFBBBXOQO-UHFFFAOYSA-N	300.362	1.833	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@H]2CCCSC2)c1	809934541	WOGOYNIVURXKAD-LBPRGKRZSA-N	307.419	1.657	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNC(=O)c1cccc(Cl)c1	807949492	ZKRLDWNOIJLTOM-VIFPVBQESA-N	312.753	1.690	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@H]1CCOC[C@@H]1C	804869275	XWNRNVPXTPOHAF-QWHCGFSZSA-N	305.378	1.612	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCC(=O)c1ccc(OC)cc1	299419647	BVXNZJXFRMOKON-UHFFFAOYSA-N	321.402	1.339	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O	808247555	FPINHNNBFIUROF-RITPCOANSA-N	321.126	1.706	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1cccc(C2OCCO2)c1	808854730	IPZBSZKNMXRMPB-UHFFFAOYSA-N	316.317	1.527	50	20	DDGD	
CCCc1cc(C(=O)NNc2ccc(C(=O)OC)cn2)no1	295598929	UFGVKYGUDSCDLS-UHFFFAOYSA-N	304.306	1.566	50	20	DDGD	
Cc1cccc(C(=O)N[C@@H](C)C(=O)NNC(=O)CC2CC2)c1	295657974	SGXPVHQICCYVJZ-NSHDSACASA-N	303.362	1.061	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1ccc2[nH]ccc2c1	804956570	TYJOUILSBIVRGY-UHFFFAOYSA-N	319.328	1.901	50	20	DDGD	
O=C(NNc1ccncn1)NC1CCN(CC2CCCC2)CC1	296185504	BZFJDAWDGQNUER-UHFFFAOYSA-N	318.425	1.757	50	20	DDGD	
C=CCCCC(=O)NNc1ccccc1S(=O)(=O)N(C)C	294503078	CYZMNHUDJMTBBR-UHFFFAOYSA-N	311.407	1.736	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1CC(=O)Nc2ccccc21	298126159	WORMXPQZJBKECI-SNVBAGLBSA-N	305.334	1.668	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H](C)Cn2ccnc2)cc(C#N)n1C	299006845	KKBYXXLWDACSSN-FCGPPKDQSA-N	322.372	1.514	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)CCn2ccnc2)cc1C	291131912	GVQWOGSAYBIKPE-UHFFFAOYSA-N	316.361	1.902	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C[C@@H](C)c1ccncc1	807369317	VOHQQKPROMRPGQ-GFCCVEGCSA-N	323.393	1.512	50	20	DDGD	
CCc1c(C(=O)NNc2ccc([N+](=O)[O-])cc2C)cnn1C	805375127	YLCKDDOJFUUJRJ-UHFFFAOYSA-N	303.322	1.956	50	20	DDGD	
COc1ccc2c(c1)C[C@H](C(=O)NNc1ncncc1F)CO2	294233174	ZKKSYMGSUMCHDP-JTQLQIEISA-N	318.308	1.319	50	20	DDGD	
O=C(NN=C1CCCC[C@H]1N1CCCCC1)c1ccnnc1	817343342	MIYNNIZLTTVNJE-OAHLLOKOSA-N	301.394	1.991	50	20	DDGD	
Cc1csc(CC(=O)NN=C2CC[C@H](C(=O)O)C[C@H]2C)n1	814779850	SOPAHCJEDPWCMJ-SCZZXKLOSA-N	309.391	1.987	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)CCOc2ccccc2)on1	814823523	KDNHICADKPHRCY-UHFFFAOYSA-N	317.301	1.380	50	20	DDGD	
CC(C)C(=O)Nc1cc(C(=O)NNC(=O)C2CCCC2)ccn1	814990848	HZIWRTBUNPHXSR-UHFFFAOYSA-N	318.377	1.627	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1nc2c(s1)CCC2	814794203	BEKFUWHPOZANBY-UHFFFAOYSA-N	307.404	1.743	50	20	DDGD	
CCc1ccccc1N1C[C@@H](C(=O)NN(C)C2CC2)CC1=O	819641563	YEMJDBDJJACXJU-ZDUSSCGKSA-N	301.390	1.727	50	20	DDGD	
CCCN(CC)C[C@H](C)NC(=O)NNC(=O)c1ccccc1F	811911526	PONPYLJYGJTQII-LBPRGKRZSA-N	324.400	1.890	50	20	DDGD	
O=C1CC(C(=O)NNC(=O)NC2CCCC2)(c2ccccc2)C1	813426423	GAZINFJDIMVMDQ-UHFFFAOYSA-N	315.373	1.560	50	20	DDGD	
O=C(CCc1nnc(C2CCCC2)o1)NNc1ncncc1F	817077984	QFQXNYHNRNLYSW-UHFFFAOYSA-N	320.328	1.732	50	20	DDGD	
CN(NC(=O)c1ccc(Cl)c(N2CCNC2=O)c1)C1CC1	819648552	IJQYBWMDQUMOTA-UHFFFAOYSA-N	308.769	1.609	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)C2CCCC2)c(F)c1	729665702	LEVCIXYXADXYLS-UHFFFAOYSA-N	300.355	1.634	50	20	DDGD	
Cn1cc(C(=O)NN=C2CCOc3c(Cl)cccc32)cn1	814852865	RVFYWTMXBNVMTD-UHFFFAOYSA-N	304.737	1.990	50	20	DDGD	
C#Cc1ccc(C(=O)NN=c2sc3ccccc3n2C)nc1	728799855	YJWRTMVDBNFYHN-UHFFFAOYSA-N	308.366	1.862	50	20	DDGD	
O=C(NCC1=CCCC1)NNC(=O)c1cc([N+](=O)[O-])ccc1O	823094831	SQZJSZRMEVRVKX-UHFFFAOYSA-N	320.305	1.355	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)COc1ccc(C#N)cc1)C1CC1	822572067	INMBCAZJAMOYMP-CQSZACIVSA-N	316.361	1.456	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21	825771435	YAFWPCVGDCPMAW-HXSPUGARSA-N	321.421	1.567	50	20	DDGD	
COCCOc1cc(C(=O)NNC(=O)OC)nc2ccccc12	495407173	IRBGMBKSHKAAEF-UHFFFAOYSA-N	319.317	1.261	50	20	DDGD	
Cc1c(NNC(=O)CNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-]	493981891	OGRWZZMTZPSPJJ-UHFFFAOYSA-N	324.337	1.871	50	20	DDGD	
CCc1noc(C)c1C(=O)NNc1nc(-c2ccncc2)no1	726370662	CBCAXHXJRVPYGD-UHFFFAOYSA-N	314.305	1.747	50	20	DDGD	
CC/C(C)=C(/C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	825053047	ZONTYMZBKMYORU-KTKRTIGZSA-N	314.349	1.374	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@@]1(C)CC1(Cl)Cl	826907411	PAHSCWQHQYRRRC-VAOFZXAKSA-N	324.208	1.326	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)Cn2cc(C3CC3)cn2)o1	824639632	NEUHLPAFVSDKMA-UHFFFAOYSA-N	314.349	1.887	50	20	DDGD	
COc1ccc(NC(=O)NN(C)C2CC2)cc1S(C)(=O)=O	824374288	ILQRGMBDRVSYIW-UHFFFAOYSA-N	313.379	1.229	50	20	DDGD	
COCc1ccc([C@@H]2CCCN2CC(=O)NNC(=O)C(C)C)o1	828911306	NPJOJPMAXNKHNQ-ZDUSSCGKSA-N	323.393	1.366	50	20	DDGD	
O=C(/C=C\c1cccnc1)NNC(=O)Cc1c[nH]c2ccccc12	490918758	DRZPZSQXWXYKTK-FPLPWBNLSA-N	320.352	1.966	50	20	DDGD	
CCN(CCO)NC(=O)c1c(F)cc(Br)cc1F	823865449	QTAUNVSGCLRZKZ-UHFFFAOYSA-N	323.137	1.686	50	20	DDGD	
CCCCNC(=O)NN=Cc1c(C)nn(CCC(=O)OC)c1C	727062541	ZMWNGFMMKQCNIQ-UHFFFAOYSA-N	323.397	1.496	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(-c2ccc(Cl)cc2)on1	823977301	UBKHYIQUFNWETL-SECBINFHSA-N	309.753	1.952	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCCc1nc(C(C)(C)C)cs1	729505933	FUZHAIHKZASFLB-UHFFFAOYSA-N	312.439	1.970	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1Cc2cccc(F)c2C1	827258886	FPWVQDFYMFUIDF-GXSJLCMTSA-N	307.325	1.307	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cccc(Oc2ccccn2)c1	823901715	DUGBCOFJMYCDIZ-LBPRGKRZSA-N	301.346	1.831	50	20	DDGD	
C#CC[C@@H](CO)NC(=O)/C(C#N)=C/c1cc(C)n(CCC)c1C	820060100	UJIRYTUMHSUBFK-KGZWWPETSA-N	313.401	1.922	50	20	DDGD	
N#C[C@H]1CC[C@@H](NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	824777874	NALMDYDZFGMDMF-GXSJLCMTSA-N	317.305	1.231	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NN=C1CC(C(=O)O)C1	496195985	MFBYEWHNWKLTSP-UHFFFAOYSA-N	313.354	1.258	50	20	DDGD	
CCSCC[C@H](C)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	826114751	UKRFEHLIKVUXSO-AXFHLTTASA-N	303.428	1.274	50	20	DDGD	
C[C@H]([C@@H]1Cc2ccccc21)N(C)C(=O)c1cccc(B(O)O)c1	585008658	LHHDRTRANXXIBV-PXAZEXFGSA-N	309.174	1.167	50	20	DDGD	
CC[C@@H](COc1ccccc1F)NCc1cccc(B(O)O)c1	585023332	JSWCSRRHGJLNQM-HNNXBMFYSA-N	317.169	1.453	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2C[C@H]3c4ccccc4CC[C@H]23)cc1	585049834	LFHZFRJRQROVMW-GBESFXJTSA-N	307.202	1.575	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NN=C1CCOC1(C)C	496263991	NEGJKEQGPGLYMX-UHFFFAOYSA-N	314.386	1.365	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H](C)CSC)c1	731326391	GKZKROJYQRIEFZ-VIFPVBQESA-N	312.391	1.464	50	20	DDGD	
CN(NC(=O)[C@H]1CCO[C@H]1CNC(=O)OC(C)(C)C)C1CC1	496942701	JCQHKVCQXPPDFS-RYUDHWBXSA-N	313.398	1.042	50	20	DDGD	
C[C@]1(C(=O)NCCC(=O)N2CCCCC2)C[C@@H]1Br	906253895	WKOPUYKDJITDFQ-GWCFXTLKSA-N	317.227	1.679	50	20	DDGD	
C[C@@]1(C(=O)Nc2ncc(CCO)s2)C[C@@H]1Br	908233069	SGWALUXAPZGUFK-OIBJUYFYSA-N	305.197	1.790	50	20	DDGD	
CN(CCCNCc1ccc(B(O)O)cc1F)C1CCCCC1	585013976	FAHOIOSNKKJCHD-UHFFFAOYSA-N	322.233	1.250	50	20	DDGD	
C[C@H](CN1CCCCC1)NC(=O)NNc1ncc(F)cc1F	837530465	JFNUNXBTHSICCH-SNVBAGLBSA-N	313.352	1.860	50	20	DDGD	
CON1CCC(=NNC(=O)C(=O)Nc2ccc(C)cc2)CC1	834934778	GZMVRIGBBULBPJ-UHFFFAOYSA-N	304.350	1.063	50	20	DDGD	
Cc1cc(C=NNC(=O)c2ncon2)c(C)n1C[C@H]1CCCO1	901285986	PANATYLYHYKTKH-CYBMUJFWSA-N	317.349	1.431	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cn(C)nc2C)c2ccccc2n1	733369341	NATBXDRXGDKISR-UHFFFAOYSA-N	323.356	1.660	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCCC[C@H]1CCOC1	836646468	UGUCOXPQIUMUJG-ZDUSSCGKSA-N	323.368	1.515	50	20	DDGD	
Cn1c(CNS(=O)(=O)CCl)nc2cc(Cl)ccc21	831158304	FMZKFXVKDBNGAT-UHFFFAOYSA-N	308.190	1.842	50	20	DDGD	
CCC[C@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1	584936190	GZMPPMNYPJFZHO-LBPRGKRZSA-N	307.174	1.548	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCN(C3CCCCCC3)C2)cc1	585021925	FNAJSQOELKHXIK-KRWDZBQOSA-N	316.254	1.253	50	20	DDGD	
CC[C@@H](C)N(C)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	839512544	ODCRGECBYNVRMF-SNVBAGLBSA-N	308.338	1.086	50	20	DDGD	
CC(C)C[C@@H]1C[C@H]1C(=O)NNc1ccc(-n2ccnc2)nn1	830423270	OKMWJMOLOIEWCH-VXGBXAGGSA-N	300.366	1.788	50	20	DDGD	
CC[C@@H](C)n1ncc(C(=O)N2CC[C@@H](B(O)O)C2)c1C1CC1	585064817	TVHBQQYMJNXVTC-ZYHUDNBSSA-N	305.187	1.420	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NC2CCOCC2)ccc1F	837737683	CYUKXBMGMLZOLD-UHFFFAOYSA-N	311.313	1.417	50	20	DDGD	
COC(=O)COCC(=O)NNc1cccc(Cl)c1Cl	839796939	GLOOICWLOOILNL-UHFFFAOYSA-N	307.133	1.626	50	20	DDGD	
COc1cc(C(=O)NNC2=N[C@H]3C=C[C@H]2C3)cc(OC)c1OC	739400756	UIOGGOBCSHRZAY-ONGXEEELSA-N	317.345	1.304	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)[C@H]1CCCc2nn[nH]c21	832218754	VRLONPQMXJUQPT-VIFPVBQESA-N	309.333	1.311	50	20	DDGD	
O=C(COc1cccnc1)NNC(=O)c1cccc2ncccc12	730286388	MCXCUMCBNVYGPX-UHFFFAOYSA-N	322.324	1.470	50	20	DDGD	
CO[C@H]1CCCCC1=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1	915951707	ROYJZYRICKGJHA-ZDUSSCGKSA-N	306.322	1.852	50	20	DDGD	
CC(C)N(CC(=O)NNC(=O)c1ccc(C#N)cc1)CC(F)F	839507598	KIWWLXXZUZLUSZ-UHFFFAOYSA-N	324.331	1.295	50	20	DDGD	
Cc1c(C(=O)NNc2cccnn2)cc([N+](=O)[O-])cc1[N+](=O)[O-]	736702394	VNZQBIPLNBXWIK-UHFFFAOYSA-N	318.249	1.358	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)CC[C@H]1C	832895228	YBWMANXPJWSRLY-RFGFWPKPSA-N	316.467	1.551	50	20	DDGD	
CC(=NNC(=O)c1cnn(-c2ccccc2)c1)c1cnccn1	734748138	ISYTYNXCCFTMJL-UHFFFAOYSA-N	306.329	1.816	50	20	DDGD	
CC(C)COc1ccccc1C(=O)NNC(=O)C(=O)NC(C)C	731343039	BOIDJFGUTHENRG-UHFFFAOYSA-N	321.377	1.007	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1)c1cncs1	734745357	LDZKJGMOQBMPRO-UTUOFQBUSA-N	324.450	1.729	50	20	DDGD	
CO[C@](C)(C1CC1)[C@H](C)N[C@H](C)C(=O)NNC(=O)CC(C)C	839639084	LROHVFQPGBKNEZ-WQGACYEGSA-N	313.442	1.362	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H](C)N2CCCC[C@@H]2C)nn1	730025752	FVNROFTYAUWYMJ-STQMWFEESA-N	306.414	1.674	50	20	DDGD	
Cc1cc(C)n([C@@H](C)CC(=O)NNC(=O)[C@@H]2CCCCO2)n1	833254978	APVPRAREAHKJRF-STQMWFEESA-N	308.382	1.168	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NOCC2CC2)cc1C	838604833	WUZCEWHTIOFBMQ-UHFFFAOYSA-N	307.350	1.354	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cc(C(C)(C)C)nn2C)n1	740114150	QTMZGNHKGDQYBC-UHFFFAOYSA-N	317.397	1.331	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CN(C(=O)OC(C)(C)C)C(C)C	831853932	KNTCAWPBKCCTNB-UHFFFAOYSA-N	316.402	1.324	50	20	DDGD	
C[C@H]1CCc2[nH]nc(C(=O)NNC(=O)OCC(F)(F)F)c2C1	912596180	AEQQRNKHIPRWKM-LURJTMIESA-N	320.271	1.468	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccnc(NC2CCC2)c1	911503403	SVDQZLIABXTCJZ-MFKMUULPSA-N	318.377	1.232	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(OC)c(OC)c1	748254357	ZYCRNHYCERCZAP-LLVKDONJSA-N	310.350	1.205	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCO[C@H]2C)cc([N+](=O)[O-])c1O	842560606	YELXSHUSJOVILN-WCBMZHEXSA-N	323.305	1.184	50	20	DDGD	
CO[C@H](C=NNC(=O)CCOc1ccccc1)[C@H]1CCOC1	841622152	MJFWKRCUFNQYBS-DZGCQCFKSA-N	306.362	1.609	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)CSc2ccccc2[N+](=O)[O-])CO1	842568160	JAKUPWDAININCK-SECBINFHSA-N	309.347	1.968	50	20	DDGD	
CC(=O)N1CC[C@@H](NC(=O)NC[C@]2(C)C[C@H]2Br)C1	856894984	YHXMSQITVFSGIE-FOGDFJRCSA-N	318.215	1.080	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)[C@H]1COc2ccccc2O1)C(C)(C)C	742469835	ITLQMHMNWBSORY-RBJHHQRMSA-N	318.373	1.966	50	20	DDGD	
COc1ccc2c(c1)CN(C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)C2	848664071	WEWKMCWHQYMQLE-YGRLFVJLSA-N	319.361	1.177	50	20	DDGD	
C[C@@H]1CCc2c(F)cccc2C1=NNC(=O)C(=O)N1CCCC1	748249472	ZBRDHMJWROHEOI-LLVKDONJSA-N	317.364	1.851	50	20	DDGD	
CC(C)=CCNC(=O)NNc1ncc(Br)cn1	847360188	UYSHRGVLDKCAPV-UHFFFAOYSA-N	300.160	1.831	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]1c1cccc(F)c1F)c1ccccn1	741659503	IOHVXFVVCNYRGJ-QWRGUYRKSA-N	317.295	1.925	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)c1ncccn1	841350316	JNJGJLUUXZFGDA-NEPJUHHUSA-N	306.366	1.223	50	20	DDGD	
CCNC(=O)NNC(=O)c1csc(-c2ccc(O)cc2)n1	746167662	VOWYEYPZWKEKDM-UHFFFAOYSA-N	306.347	1.480	50	20	DDGD	
O=C(NN=Cc1cnc2cnccn12)c1ccc(O)c(Cl)c1	746371740	FJHNZXNXSZRRPT-UHFFFAOYSA-N	315.720	1.852	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1CCN(Cc2ccccc2)C1	847392383	VCGVIFJWERDKGK-OAHLLOKOSA-N	318.421	1.639	50	20	DDGD	
COCC1(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)CC1	843518462	UWMLSPVDMRSMRZ-UHFFFAOYSA-N	322.361	1.282	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2cccc(F)n2)C[C@H]1Br	912733646	WHDLSLKXVJYYBR-HQJQHLMTSA-N	316.130	1.155	50	20	DDGD	
COc1ccc([C@H](C)CC(=O)NNC(=O)c2c[nH]nc2C)cc1	749984592	ZNYJAGPLFSDGCM-SNVBAGLBSA-N	316.361	1.682	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccc(Cl)nc2)ccc1=O	743817091	QSEGLRBZBYDEGP-UHFFFAOYSA-N	322.752	1.300	50	20	DDGD	
COC/C(C)=C/C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	844279200	BKQBGBGCZYUWAX-QDEBKDIKSA-N	306.406	1.943	50	20	DDGD	
NCCC[C@@H](NC(=O)NNC(=O)C1CCC1)c1ccccc1	841997158	MBQFFHZGUBTXDO-CQSZACIVSA-N	304.394	1.597	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CC1	843649888	YDFIUTHQKYYXAR-OLZOCXBDSA-N	302.374	1.599	50	20	DDGD	
Cc1ccc2c(C=NNC(=O)[C@H]3CCS(=O)(=O)C3)c[nH]c2c1	917545562	WGTASUPNWPMHOA-NSHDSACASA-N	319.386	1.361	50	20	DDGD	
CCOC(=O)C1CCC(=NNC(=O)[C@@H](C)OCCOC)CC1	748259845	YDEUSHMFLKPNHG-JHJMLUEUSA-N	314.382	1.263	50	20	DDGD	
NS(=O)(=O)CCCCCC(=O)NNc1cccc(F)c1F	845857629	QLEBQRJDUAWTJE-UHFFFAOYSA-N	321.349	1.257	50	20	DDGD	
CN(C)c1nc(CNC(=O)NNc2ccc(F)cn2)cs1	747512336	OKYWGKBOZUXHON-UHFFFAOYSA-N	310.358	1.570	50	20	DDGD	
N[C@H]1CCC[C@H](NC(=O)NNC(=O)CCOc2ccccc2)C1	841982130	PNACQNGGCVPAPK-STQMWFEESA-N	320.393	1.056	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)NCC(C)(C)N)cc1	841951135	RMGXJQRXABCZCA-UHFFFAOYSA-N	310.423	1.155	50	20	DDGD	
CC(C)c1cccc(OCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	843648561	XZDXZIWXSVCTGN-WFASDCNBSA-N	320.389	1.761	50	20	DDGD	
CN(C)c1nccc(NNC(=O)CCc2cc(F)ccc2F)n1	740103152	NETKWAWGNSALCM-UHFFFAOYSA-N	321.331	1.897	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccn2)no1)c1ccccc1	742241284	YXQKOARBNAMPOE-UHFFFAOYSA-N	308.297	1.811	50	20	DDGD	
O=C(NCCO[C@H]1CCOC1)NNc1cc(F)c(F)c(F)c1	927517730	KTBBMRDLCLDZQK-VIFPVBQESA-N	319.283	1.536	50	20	DDGD	
Cc1cc(C)n([C@@H](C)CC(=O)NNC(=O)Cc2ccncc2)n1	747322911	CEDSQMZLEFHQKF-ZDUSSCGKSA-N	315.377	1.236	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@H]1C[C@H]1c1cccc(F)c1	743357137	ZGTGFNLEGOOYIF-UWVGGRQHSA-N	319.258	1.964	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(F)cc2nccnc12	920765033	GQUNUKHLQWABLL-UHFFFAOYSA-N	305.313	1.513	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H](C)Cc2ccccn2)n1	848666720	AWOINGCWIXQERC-LBPRGKRZSA-N	300.366	1.746	50	20	DDGD	
CC(C)=CCOc1cccc(CC(=O)NNC(=O)N(C)C)c1	841385470	DFALTHFZKYBGQX-UHFFFAOYSA-N	305.378	1.877	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)n2cccn2)c2ccccc2n1	920436771	DGSQHSLYDCOJEP-GFCCVEGCSA-N	323.356	1.762	50	20	DDGD	
CCS(=O)(=O)NCCN(C)CCO[Si](C)(C)C(C)(C)C	844343320	FXDNYQDPMPGHDG-UHFFFAOYSA-N	324.563	1.879	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cccc(OCCC(=O)O)c1	842554056	IJKQFTJSPIQDNW-FZMZJTMJSA-N	320.345	1.415	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1c[nH]c2ccc([N+](=O)[O-])cc12	842561386	KOFFDBUCTZPSGL-BXKDBHETSA-N	316.317	1.951	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C[C@@]1(OC)CCOC1	841606429	HFULMDQSJWBJLA-INIZCTEOSA-N	322.361	1.372	50	20	DDGD	
CCCOc1cc(OC)ccc1C(=O)NN(C)C(=S)NC	854920807	UUJUTGWIDMJFSP-UHFFFAOYSA-N	311.407	1.565	50	20	DDGD	
O=C(NCCn1cccc1)NNC(=O)c1ccc2ccccc2n1	753051593	YKEMLWKYFQBYJD-UHFFFAOYSA-N	323.356	1.681	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN([C@@H]2CCC(=O)NC2=O)C1	852524720	NTFZXHLGNQYEBF-VXGBXAGGSA-N	312.486	1.888	50	20	DDGD	
O=C(CCCC[C@H]1CCSS1)NC[C@@]1(O)CCOC1	755220517	FKESGCNHCHJPPJ-AAEUAGOBSA-N	305.465	1.968	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)c1ccc(OC)c(OC)c1	755039763	TUPUFYJBCBTUJL-JTQLQIEISA-N	310.350	1.137	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@@H]1CCC[C@@H]2OCC[C@H]21	856878674	YHMOBVHHYDLTFV-AXFHLTTASA-N	311.773	1.714	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccccc2OC)n1	752312494	NXUYXBYLCFYZTG-UHFFFAOYSA-N	301.302	1.174	50	20	DDGD	
CCN1CCC[C@@H](NC(=O)/C(C#N)=C\c2ccc(O)cc2)C1=O	928877050	ZNPCBXNIBFMYSK-VSKPTYQZSA-N	313.357	1.426	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccccc1SC[C@@H](C)C#N	756479464	NHSREWMTQCIHIB-JTQLQIEISA-N	322.390	1.737	50	20	DDGD	
CCOc1cc(NC(=O)NNC(=O)c2cnccn2)ccc1C	756329500	AOXVWNFNVHROTB-UHFFFAOYSA-N	315.333	1.650	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(CCSC)cc1	756333204	KBGRHFKBXHTMQF-UHFFFAOYSA-N	311.407	1.781	50	20	DDGD	
O=C(NN=C1C(=O)Nc2cc(O)c(Cl)cc21)NC1CCCC1	853297037	RBMBWRKGXSIGIK-UHFFFAOYSA-N	322.752	1.944	50	20	DDGD	
CN(CC(C)(C)CO)C(=O)NC[C@]1(C)C[C@@H]1Br	856959813	XXQWFBGPNBTQPT-CABZTGNLSA-N	307.232	1.820	50	20	DDGD	
CC[C@@H](CC(C)C)C(=O)NN(C)C(=S)NCCCOC	854286571	UGTAGHQROUTTSG-LBPRGKRZSA-N	303.472	1.933	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@@]1(C)C[C@@H]1Br	857733617	MDJHEEHEXYKLSP-MBJVOQIVSA-N	312.211	1.813	50	20	DDGD	
COCC1(C(=O)NC[C@]2(C)C[C@H]2Br)CCOCC1	857389005	XEQSWCCJGJCWSM-PWSUYJOCSA-N	320.227	1.719	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NN=Cc2cnc(C)n2C)c1	853265256	LMSMASAKZMXVMC-UHFFFAOYSA-N	300.362	1.874	50	20	DDGD	
CC(C)(C)[S@@](=O)CCNC(=O)NNc1ccc(Cl)cn1	852117988	CUGOZLFYTIPDOM-FQEVSTJZSA-N	318.830	1.908	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)[C@@H]1CCCN1c1ncccn1	857729138	LENIEJREVAWJQC-JTQLQIEISA-N	319.756	1.032	50	20	DDGD	
O=C(CNc1ccccc1F)NN=Cc1cnc2n1CCC2	853264034	NCDUQXVWJJLOHT-UHFFFAOYSA-N	301.325	1.531	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)OCC(F)(F)F)c1ccccc1	856026044	JTNHPQKNDOTGFO-NSHDSACASA-N	306.240	1.214	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cnc3n2CCCC3)n1	750794528	KREFKYRNOYVRHG-UHFFFAOYSA-N	306.757	1.728	50	20	DDGD	
CNC(=S)N(C)NC(=O)/C=C/c1cnc(C(C)(C)C)s1	854924987	YYIUBJMMWVWQQI-VOTSOKGWSA-N	312.464	1.921	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H](O)CCc1ccccc1)C1CC1	855099439	ZDZBHYVSRTUHKM-FZMZJTMJSA-N	321.446	1.274	50	20	DDGD	
CCC[C@@H](CNC(=O)NNc1ncncc1Cl)OCC	858681904	KCSMMHXTDVKJPN-VIFPVBQESA-N	301.778	1.961	50	20	DDGD	
Cc1noc(C)c1[C@H](C)N[C@H](C)C(=O)NNC(=O)CC(C)C	754157875	ZRBJROGKALWXSF-GXSJLCMTSA-N	310.398	1.524	50	20	DDGD	
COC(=O)NNC(=O)[C@]1(C(=O)OC(C)(C)C)C[C@H]2CC[C@H]1C2	856757207	LJDACJDHOKNGLY-YHAQOWFVSA-N	312.366	1.522	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1cnn(-c2ccccc2)n1	757839083	RUEDGJJBZFEPLE-UHFFFAOYSA-N	311.305	1.062	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2cnc(C)n2C)cc1C	853265582	YYIWCSUNIVRUPH-UHFFFAOYSA-N	300.362	1.874	50	20	DDGD	
O=C1NCC[C@@H]1C(=O)NNc1nc2ccc(Cl)cc2s1	856236995	SFULHNPCQQDYPL-ZETCQYMHSA-N	310.766	1.529	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2coc(C(N)=O)c2)cc1	758996236	HUNQUNIHYSHNOI-UHFFFAOYSA-N	301.302	1.016	50	20	DDGD	
COc1ccc(-c2cncc(C(=O)NNC(=O)C3CC3)c2)cc1	758149550	XAZZITQBLHKPMX-UHFFFAOYSA-N	311.341	1.928	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNC(=O)COc1ccc(C)c(C)c1	758367527	MVGJQQLBTGTSSA-LBPRGKRZSA-N	322.361	1.029	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)Cc2ccc(F)cc2)nn1C	757753194	KSWQTCPSLRQAFI-UHFFFAOYSA-N	305.313	1.263	50	20	DDGD	
COC(=O)c1cc(C(=O)NN=c2cc[nH]cc2Cl)ccn1	768444460	QFRWFPGGPUPYJR-UHFFFAOYSA-N	306.709	1.095	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1cc(C2CC2)nn1C	934828837	GFLFSRYYGRPPRC-UHFFFAOYSA-N	312.373	1.610	50	20	DDGD	
CON(C)C(=O)[C@H](C)NC(=O)/C(C#N)=C\c1ccc(F)cc1	863624634	KNGFBEXFWSWINP-UVIKPUKZSA-N	305.309	1.257	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1cnn(C2CCC2)c1	934315045	DLLWAVQEJZGYRN-UHFFFAOYSA-N	302.338	1.413	50	20	DDGD	
CS(=O)(=O)/C(C#N)=C/c1ccc(C(=O)N2CCCC2)cc1	865216822	HVKTUXPSLCHDOL-GXDHUFHOSA-N	304.371	1.832	50	20	DDGD	
Cc1cccc(NNC(=O)Nc2ccnn2CCN(C)C)n1	861147583	VJZYQSIIZYFYCI-UHFFFAOYSA-N	303.370	1.297	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(C)nnc2C)nc1	767875587	CVDWUUSVXSVNFI-UHFFFAOYSA-N	301.306	1.032	50	20	DDGD	
CC(C)OCc1ccc(C(=O)NNC(=O)c2cn[nH]c2)cc1	862473899	IBUNSSJHTIRRPJ-UHFFFAOYSA-N	302.334	1.410	50	20	DDGD	
CC(C)[C@H](CC1CCCCC1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1	862454948	LPJHCZIYCQNERJ-KBPBESRZSA-N	323.437	1.655	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C1C[C@@H](C)N(C)C1	761802019	RTUDQUMFFOPRLF-GFCCVEGCSA-N	305.378	1.660	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)N(C)NC(=O)OCc1ccccc1	862287902	YZEDVYQWHBUWHM-GFCCVEGCSA-N	322.365	1.123	50	20	DDGD	
CSSCCNC(=O)C1(CC(=O)O)CCN(C)CC1	1119016845	QNEPZQKVGHHBAB-UHFFFAOYSA-N	306.453	1.301	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1ccn(C)c1	763213459	RVYHYFGFVAHEII-UHFFFAOYSA-N	307.737	1.762	50	20	DDGD	
COC(=O)c1cccc(C(=O)NN=c2cc[nH]cc2Cl)n1	768453409	ZITOXFOKTSAINY-UHFFFAOYSA-N	306.709	1.095	50	20	DDGD	
COCCC(=NNC(=O)NCC(=O)OC)c1ccc(F)cc1	779817636	UAFLUVXLDBRWMF-UHFFFAOYSA-N	311.313	1.039	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1OC	770587109	BIXGXUVTMWMBAB-JQWIXIFHSA-N	322.361	1.280	50	20	DDGD	
CC[C@@H](C)Oc1cc(C(=O)NNC(=O)NCC2CC2)ccn1	777371935	FKSJKEYMGGGRLQ-SNVBAGLBSA-N	306.366	1.613	50	20	DDGD	
Cc1nnc(NNC(=O)C(C)(C)c2ccc(F)cc2F)nc1O	878038802	QVYACHDYQGIECZ-UHFFFAOYSA-N	323.303	1.585	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@H]2COc3cc(F)ccc3C2)cc[nH]1	875741241	ZHQILRLPQBPDSO-CQSZACIVSA-N	316.336	1.581	50	20	DDGD	
CCNC(=O)Nc1cccc(NC(=O)NN(C)CCOC)c1C	879418982	WQBJTOPPRMSCOJ-UHFFFAOYSA-N	323.397	1.751	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNc1cccc(C(F)(F)F)n1	878923203	VLUBTIWNTVYRHC-MRVPVSSYSA-N	304.272	1.458	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNc1ccc(F)c([N+](=O)[O-])c1	771590570	MUGVLUVJUABFON-UHFFFAOYSA-N	312.301	1.339	50	20	DDGD	
O=C(O)c1cccc2c1C(=NNC(=O)[C@H]1C[C@H]3CC[C@H]1O3)CC2	872386576	RLTLLPFDZFAYQB-SCDSUCTJSA-N	314.341	1.719	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1Cl	779774330	UVFMOSMBYQCRHL-VIFPVBQESA-N	317.798	1.036	50	20	DDGD	
CN([C@@H]1CCCc2c1cnn2C)S(=O)(=O)CCCCl	882008337	SNZUPQKRQMQSGI-GFCCVEGCSA-N	305.831	1.688	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(C(C)=O)cc2F)n1	777404631	DDKUIVHNMYWENC-UHFFFAOYSA-N	318.308	1.892	50	20	DDGD	
CCC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)c1cccnn1	883321776	KWXWFHVECFPQFA-NWDGAFQWSA-N	305.382	1.780	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@@]1(O)CCCc2ccccc21	881919720	ABNUKWWWFCHHOI-AWEZNQCLSA-N	317.838	1.759	50	20	DDGD	
CC1(C)COc2c(C(=O)NNC(=O)c3cccnn3)cccc21	882059566	OXXXAGDESFNAEX-UHFFFAOYSA-N	312.329	1.221	50	20	DDGD	
CCOC1CC(CCNC(=O)NNc2ccc(C#N)cn2)C1	888861345	QTPQYNZPSOTLBM-UHFFFAOYSA-N	303.366	1.785	50	20	DDGD	
Cc1ccc(C[C@H](CO)NS(=O)(=O)CBr)cc1	786133265	DQNVZUSQINWHOE-LLVKDONJSA-N	322.224	1.170	50	20	DDGD	
CC[C@H](C)c1nc([C@@H](C)NS(=O)(=O)CCCCl)n[nH]1	882125859	OLIFELJFRUQGBF-DTWKUNHWSA-N	308.835	1.928	50	20	DDGD	
COCCC1(CNC(=O)NNc2ncncc2Cl)CCC1	781003480	WJHKLJHSFQMJHG-UHFFFAOYSA-N	313.789	1.963	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1cscc1Cl	880975762	WMDLWLWJZBIACK-UHFFFAOYSA-N	307.759	1.217	50	20	DDGD	
CCN1CCCC[C@H]1CNC(=O)NNc1ccc(C#N)cn1	888244678	HPNWKEDPZRBMJM-ZDUSSCGKSA-N	302.382	1.454	50	20	DDGD	
O=C(CCCc1ccccc1)NNS(=O)(=O)c1ccco1	783529043	WGTQCCZSKQKFEZ-UHFFFAOYSA-N	308.359	1.612	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(O)c(OC)c2)n1	785415322	YILLWNYAERYUAJ-UHFFFAOYSA-N	304.306	1.265	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCOC[C@H]2CCCO2)c1	780796070	JWJCIIUZYWSKSD-CQSZACIVSA-N	322.361	1.502	50	20	DDGD	
C[C@H]1CCCN(C[C@H](C)NS(=O)(=O)CBr)C1	788914324	VWZFLDQRDGBUCN-UWVGGRQHSA-N	313.261	1.379	50	20	DDGD	
Cc1nc(NC(=O)C(=O)NNc2ccnc(F)c2)sc1C	789761147	BEYWOBODKGFZHR-UHFFFAOYSA-N	309.326	1.376	50	20	DDGD	
NC(=O)c1cc(NC(=O)C(=O)NNc2ccccc2)ccc1F	784765824	GZTFVEFDVGLEMX-UHFFFAOYSA-N	316.292	1.006	50	20	DDGD	
C#CCN1CCC[C@H](NC(=O)NNc2ncc(F)cc2F)C1	890363327	MUABRHBFIMXQQG-NSHDSACASA-N	309.320	1.084	50	20	DDGD	
CC(C)(C)c1cnc(NC(=O)C(=O)NNc2ccccn2)s1	789719541	BMVRVJWLNZSHJH-UHFFFAOYSA-N	319.390	1.917	50	20	DDGD	
NC(=O)[C@@H](Cc1ccc(F)cc1)NNC(=O)c1ccccc1F	784059926	FXJLNYXUPFZMTE-CQSZACIVSA-N	319.311	1.296	50	20	DDGD	
N#Cc1cccc(OCC(=O)NNc2nc3ccccn3n2)c1	791252982	KAGLXQCWAMUKMW-UHFFFAOYSA-N	308.301	1.123	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2CCC(F)(F)C2)n1	794891576	GSUYTLWNRQZWNE-JTQLQIEISA-N	300.309	1.083	50	20	DDGD	
C=C(CBr)COC(=O)C[C@H]1CCS(=O)(=O)C1	795403841	ZBCMPPKCAAMSTQ-SECBINFHSA-N	311.197	1.306	50	20	DDGD	
O=C(NNC(=O)c1occ2c1CCC2)c1ccc2c(c1)OCO2	794758658	GIJNCEZJLGTXQN-UHFFFAOYSA-N	314.297	1.572	50	20	DDGD	
CCOC(=O)c1scnc1/C=C(\C#N)S(=O)(=O)N(C)C	794958874	SYRQNSSHVWZVAB-VMPITWQZSA-N	315.376	1.076	50	20	DDGD	
Cc1cccnc1NNC(=O)COc1cccc([N+](=O)[O-])c1	791217689	XEUNUNZUCXATSE-UHFFFAOYSA-N	302.290	1.820	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1csc(-c2ccoc2)n1	1318329255	JXEBSSWIYORHFT-UHFFFAOYSA-N	310.404	1.920	50	20	DDGD	
Cc1cc2c(cc1C)O[C@H](C(=O)NNC(=S)NC(C)C)C2	1318733908	ITSPRGGHWBXIHJ-ZDUSSCGKSA-N	307.419	1.511	50	20	DDGD	
O=C(NNc1cncc(Br)c1)C1(O)CCCCC1	1319627323	REUGXTBSBOIRCW-UHFFFAOYSA-N	314.183	1.982	50	20	DDGD	
CC(C)(C(=O)NNc1nncc(N)c1Cl)C1CCOCC1	1322514431	PONNUBBLLVCSHJ-UHFFFAOYSA-N	313.789	1.608	50	20	DDGD	
COc1nccnc1NNC(=O)c1c(C)noc1C(F)(F)F	1320236972	IBOHZPKKMXKHFS-UHFFFAOYSA-N	317.227	1.557	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NNC(=O)OC(C)(C)C)c(C)c1	1320532730	DDKDJIZXAJWBEL-UHFFFAOYSA-N	322.365	1.916	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)Nc1cccc2cccnc12	1328884644	PSBCSRLPAIFTPS-UHFFFAOYSA-N	313.361	1.387	50	20	DDGD	
C[C@@]1(Cn2nnnc2N2CCCOCC2)C[C@@H]1Br	1336189469	WAKXGERAJYMJEK-ONGXEEELSA-N	316.203	1.073	50	20	DDGD	
C=CCCCNC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1331076602	FLYCGIBHXTVJGH-BXKDBHETSA-N	303.200	1.359	50	20	DDGD	
Cc1nnsc1C(=O)NNc1cncc(Br)c1	1255601547	KADXXXIZRLQSHD-UHFFFAOYSA-N	314.168	1.761	50	20	DDGD	
Cc1cc(C(=O)N2CC[C@H](B(O)O)C2)c2ccc(F)cc2n1	1331894762	GOCYMKKGIDGZBR-JTQLQIEISA-N	302.114	1.371	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)Cc2ccccc2F)c(C)n1	1335791056	YBRJVHGEVWJQPG-UHFFFAOYSA-N	318.352	1.744	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2cccc(N3CCNC3=O)c2)c1	1331220245	BVNLYPGVMKZRNA-UHFFFAOYSA-N	321.340	1.845	50	20	DDGD	
COCc1nocc1C(=O)NNC(=O)C(C)(C)c1ccccc1	1349457439	CKYYBPXGNNNSBS-UHFFFAOYSA-N	317.345	1.560	50	20	DDGD	
Cc1nc([C@H]2CCOC2)sc1C(=O)NNc1ccncn1	1349662776	NOBCEWGBLWFPPJ-VIFPVBQESA-N	305.363	1.502	50	20	DDGD	
C[C@]1(Cn2nnnc2N2CC[C@H](CF)C2)C[C@H]1Br	1352686057	JOLRBPXRHDNPSP-FXPVBKGRSA-N	318.194	1.642	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)c1ccc(-c2nn[nH]n2)cc1	1606861022	JNKOIJJNNOTIRU-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
C[C@]1(CNC(=O)NNc2ccc(F)c(C(=O)O)c2)CCCO1	1604577168	FFHWFYZLXYMESX-CQSZACIVSA-N	311.313	1.719	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(OCC(=O)O)cc1	1602701592	PDZQNXXOCUHTSB-UHFFFAOYSA-N	319.317	1.106	50	20	DDGD	
O=C(NNC(=O)[C@]1(C(=O)O)CC=CCC1)c1cccc(Cl)n1	1605814890	ZLPMHHPIKOXEOR-AWEZNQCLSA-N	323.736	1.307	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc(C(=O)O)c1	1600270989	WJCWLLZHZKWCON-BXKDBHETSA-N	321.333	1.271	50	20	DDGD	
O=C(Cc1ccccc1C(=O)O)NNc1nc2ccccn2n1	1605719842	NNHANGSEYPWGDG-UHFFFAOYSA-N	311.301	1.113	50	20	DDGD	
Cc1csc(C(=O)NN=C2CCCn3nc(C(=O)O)cc32)c1	1600648941	YXKKBXRYWQWKCR-UHFFFAOYSA-N	318.358	1.879	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)C1(c2ccccn2)CC1	1606855806	IEOKVTDYSHWWFO-UHFFFAOYSA-N	321.344	1.437	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@H]2CCc3nncn3CC2)c1	1602448085	MJNASPTYKQWLBO-JTQLQIEISA-N	315.333	1.072	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)C1CC(F)(F)C1	1549684464	AXWLZSJKTXNDKA-NWDGAFQWSA-N	301.337	1.387	50	20	DDGD	
Cc1nc[nH]c1C=NNC(=O)[C@H]1CCCO[C@H]1c1ccnn1C	1549314033	AUWGARYCBMUCAX-SMDDNHRTSA-N	316.365	1.070	50	20	DDGD	
Cc1ccc(C(=O)O)cc1NC(=O)NNC(=O)c1ccoc1	1610489089	VRKDCABUCQLRGL-UHFFFAOYSA-N	303.274	1.753	50	20	DDGD	
COC[C@H](Cl)C(=O)N1CCC2(CCCN(C(C)=O)C2)CC1	1809382706	SLXXHCLWFRCPTO-ZDUSSCGKSA-N	316.829	1.491	50	20	DDGD	
COC1(C=NNC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)CCC1	1549317143	VPMKUWJPFGJKHA-TZMCWYRMSA-N	320.393	1.559	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@@H]2CCCO[C@@H]2c2nccn2C)CN1C	1549309413	IHMXNIDMBFWNMO-BNOWGMLFSA-N	319.409	1.084	50	20	DDGD	
CCc1ccc(C(C)=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)o1	1549317640	MOCBHBPRRUDJPX-SWLSCSKDSA-N	305.378	1.545	50	20	DDGD	
Cc1nn(C(C)C)cc1C=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549322045	WWBXWDGENVRYOW-LSDHHAIUSA-N	319.409	1.086	50	20	DDGD	
COC(=O)c1cc(OC(=O)C2=CC[C@H](N)C2)ccc1[N+](=O)[O-]	1578860566	WXBVXIREWPARTM-VIFPVBQESA-N	306.274	1.334	50	20	DDGD	
CSCc1cccnc1C(=O)NNC(=O)CCCCCN	1579382474	DKSNJIMRIXEUQR-UHFFFAOYSA-N	310.423	1.225	50	20	DDGD	
C[C@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)n1ccnc1	1574508946	RCINKLDUAQABCF-SNVBAGLBSA-N	312.337	1.158	50	20	DDGD	
C#CCNCC(=O)NNc1cc(F)ccc1Br	1574736143	ONXSQPGOMJCNKT-UHFFFAOYSA-N	300.131	1.254	50	20	DDGD	
O=C(NNC(=O)[C@@H]1NCC[C@@H]2CCCC[C@H]21)NC1CCCCC1	1580735724	DMKGRXNQPDZKRG-NWANDNLSSA-N	322.453	1.818	50	20	DDGD	
C=C(CBr)CN1CC[C@H](C(=O)O)C[C@H]1C(=O)OC	1588605712	OFCDFBVRXNBFSX-UWVGGRQHSA-N	320.183	1.276	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cnco1)C2	1845163442	YBVCZRCIJQWDPH-JTQLQIEISA-N	311.769	1.509	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)C2(C(=O)O)CCCCCC2)CCCO1	1589181436	MIMJTXCKIRIIJN-AWEZNQCLSA-N	312.366	1.128	50	20	DDGD	
C=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](F)Cl)C1	1847225453	XYOFIWNDUKZPDL-SDDRHHMPSA-N	300.761	1.689	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2ccc(CC(=O)O)cc2)nn1C	1591930673	WOIAIAJTQCXKHG-UHFFFAOYSA-N	316.361	1.928	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1c(F)ccc(F)c1F	1595262211	VFJKYPQACMGDOC-UHFFFAOYSA-N	311.219	1.954	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cnco2)C1	1841730028	DLDZAERAPMRVHE-JTQLQIEISA-N	311.769	1.509	50	20	DDGD	
COc1cccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1C	1591632882	HPOWXTVLLNWICA-UHFFFAOYSA-N	324.344	1.941	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@H](C)C(=O)O	1593640066	LCCJLRDAZZMBGH-VIFPVBQESA-N	309.391	1.596	50	20	DDGD	
CN1CCC[C@@H](NC(=O)NNc2ccc(F)c(C(=O)O)c2)C1	1598595375	XVBNQFLFUNEQIM-SNVBAGLBSA-N	310.329	1.244	50	20	DDGD	
C[C@@]1(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)O)C2)C[C@@H]1Br	1593758834	UXBJIDUPBHVKSM-GEIIOQGVSA-N	302.168	1.529	50	20	DDGD	
Cn1cc(C=NNC(=O)Nc2ccc(C(=O)O)cc2)ccc1=O	1776046084	ABGBCIGMYQAEAU-UHFFFAOYSA-N	314.301	1.239	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=Cc1cc(C(=O)O)c(Cl)s1	1776101902	BLVUDPBZABGAJQ-VXNVDRBHSA-N	316.766	1.975	50	20	DDGD	
CC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(C#N)CC1	1795849637	VAQSKKUNLDHCPK-RNJOBUHISA-N	323.824	1.946	50	20	DDGD	
CCCCN(C)S(=O)(=O)NNC(=O)c1ccc(C)s1	158089729	BWDITJGZHZRUEL-UHFFFAOYSA-N	305.425	1.268	50	20	DDGD	
C#CCOCCC(=O)NNC(=O)CCSc1ccc(F)cc1	158965910	CTSZLOQPYKGESZ-UHFFFAOYSA-N	324.377	1.495	50	20	DDGD	
Cc1nn(C)cc1CCC(=O)NNc1ncccc1[N+](=O)[O-]	152825944	PJIXCFFZWASWRP-UHFFFAOYSA-N	304.310	1.108	50	20	DDGD	
COc1ccccc1[C@H](C)CC(=O)NNC(=O)c1cc(C)n[nH]1	153094997	HKYGKKSMWFSYBG-SNVBAGLBSA-N	316.361	1.682	50	20	DDGD	
CN1C(=O)[C@H](I)CCn2c1cccc2=O	1690108283	WTRRPYDPIOXDHJ-SSDOTTSWSA-N	318.114	1.018	50	20	DDGD	
CCOc1cc(Br)c(CC(=O)NN)cc1OCC	8253506	CNGLCHVFYQIBBX-UHFFFAOYSA-N	317.183	1.779	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2ccc(C)o2)cc1	55706887	CIMPOMAXWIZFMV-UHFFFAOYSA-N	302.330	1.990	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCc1cn2ccccc2n1	9735915	WFBIXFZOHUQZDA-UHFFFAOYSA-N	323.356	1.787	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cc(Cl)ccc1F	175805025	LJCSWSYXJRVJGW-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
O=C(CC[C@@H]1Cc2ccccc2NC1=O)NNc1cnccn1	114878820	FVFBZEDNQDUKJS-GFCCVEGCSA-N	311.345	1.511	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Nc1ccc(N(C)C)cc1)C1CC1	174696794	HTTMPCDVIKFGRX-SNVBAGLBSA-N	305.382	1.887	50	20	DDGD	
C[C@H](CC(=O)NNc1cccnn1)C(=O)c1cccc(F)c1	174075494	WLZWYVAXSKMAMH-SNVBAGLBSA-N	302.309	1.968	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CCc2ccccc2O)c1	103402978	SXMCQGFHOPHVQU-UHFFFAOYSA-N	309.325	1.658	50	20	DDGD	
C=CCCS(=O)(=O)NNC(=O)COc1ccccc1CC	119653702	NCMRNEJKZNRRME-UHFFFAOYSA-N	312.391	1.155	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)c1ccc2nncn2c1	177749666	USGHFUNKFREBGH-UHFFFAOYSA-N	321.296	1.550	50	20	DDGD	
Cc1c(Br)cccc1C(=O)NNC(=O)N(C)C	172907630	PMJZINFOQZBJEW-UHFFFAOYSA-N	300.156	1.674	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1	179367061	RLGDNBUPLSHEPT-GMCKNXKJSA-N	315.377	1.832	50	20	DDGD	
O=C(C1CCC(Cl)CC1)N1CCC(Cc2nn[nH]n2)CC1	1352706979	JZVAPCGMOWEDJY-UHFFFAOYSA-N	311.817	1.778	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc(N2CCCC2=O)ccc1Cl	119999691	IVFFTNGUSCQDLE-UHFFFAOYSA-N	324.768	1.383	50	20	DDGD	
Cc1nnc(NNC(=O)c2cc3ccccc3cc2O)nc1O	22383357	JYOTVECYHCHZSO-UHFFFAOYSA-N	311.301	1.501	50	20	DDGD	
C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)NNC(=O)C(=O)N1CCCC1	175863212	PLKMORQIDFYCHP-VXGBXAGGSA-N	324.425	1.154	50	20	DDGD	
Cc1nnc(NNC(=O)CCn2ccc3ccccc32)nc1O	23311665	ZAOZZEJXEWCMMC-UHFFFAOYSA-N	312.333	1.374	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Nc2ccc(F)c(Cl)c2)cn1	118981899	BRDXEYZEVODPLB-UHFFFAOYSA-N	311.704	1.679	50	20	DDGD	
COc1cc(C)cc(C(=O)NNc2ccc(Cl)nn2)c1O	172441403	ZINBJWHXUSZPSA-UHFFFAOYSA-N	308.725	1.910	50	20	DDGD	
O=C(COC/C=C/c1ccccc1)NNc1ncc(F)cn1	122504196	URHFARDZTGGIPC-QPJJXVBHSA-N	302.309	1.789	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1	129371098	FUAYREHDTLYRCK-UHFFFAOYSA-N	320.227	1.530	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCC2(C3CC3)CC2)c1	123284273	PWMZBORLKNHOHJ-UHFFFAOYSA-N	316.405	1.887	50	20	DDGD	
Cc1n[nH]c(C)c1CCC(=O)NNc1nnc(C2CC2)s1	184490200	YIJXBZJVZUZZTB-UHFFFAOYSA-N	306.395	1.831	50	20	DDGD	
COCCCC(=O)NNC(=O)c1ccc(Cl)cc1OC	71946163	HMWPOWSGMJARKA-UHFFFAOYSA-N	300.742	1.536	50	20	DDGD	
COc1cccc(NNC(=O)c2cc(OC(F)F)n(C)n2)n1	185108958	WMOFOCFZBFIRJY-UHFFFAOYSA-N	313.264	1.182	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@](C)(O)Cc2ccccc2)s1	73074917	ZSNVYZRQLULURI-INIZCTEOSA-N	318.398	1.811	50	20	DDGD	
CCN(C)C(=O)CNC(=O)NNc1ccc(OC(F)F)cc1	186203941	FSMYKVZZCZYFMQ-UHFFFAOYSA-N	316.308	1.392	50	20	DDGD	
O=C(NNc1ccccn1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1	181158437	XJGJIDYIZPATMT-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
C[C@@H]1CCCCN1C(=O)NNC(=O)COCc1ccccc1	127459102	UCFBDFYWJKGBLV-CYBMUJFWSA-N	305.378	1.818	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccn(Cc2ccccc2)n1	184433503	RUOWEIZYKBWPPL-UHFFFAOYSA-N	317.349	1.121	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)C(=O)NNc2ccccc2)cc1	185213271	KVISIRQYWKFEAB-UHFFFAOYSA-N	312.329	1.128	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1csc([N+](=O)[O-])c1	48831927	NLOGYNZNTGWFEV-UHFFFAOYSA-N	312.229	1.163	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C1CCN(C)CC1	72798283	KRJPBXWXBWWYEA-NSHDSACASA-N	323.368	1.082	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2c(C)cccc2F)n(C)n1	187447892	HQDMLCGJAKHBHN-UHFFFAOYSA-N	305.313	1.258	50	20	DDGD	
C[C@@H](CSc1ccc(F)cc1)C(=O)NNC(=O)CN(C)C	131681935	QSYHDUUPBNJVCD-JTQLQIEISA-N	313.398	1.263	50	20	DDGD	
CN(C)c1ncccc1C(=O)NNC(=O)CCc1ccccc1	132441894	JKSLFXDPBCTULL-UHFFFAOYSA-N	312.373	1.541	50	20	DDGD	
CCOC(=O)NNC(=O)COc1ccc(C(F)(F)F)cc1	44979307	XAUOOSHVZNPGHQ-UHFFFAOYSA-N	306.240	1.862	50	20	DDGD	
O=C(NCc1ccn(-c2ccccc2)n1)NNc1ncccn1	131859172	PFRYIWGRMYBUMB-UHFFFAOYSA-N	309.333	1.489	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N[C@H]1[C@@H]2c3ccccc3C[C@H]21	132361564	VDEMEMNIYLQJCA-DJIMGWMZSA-N	322.368	1.293	50	20	DDGD	
COCc1ccccc1C(=O)NNC(=O)Cn1nc(C)cc1C	46317623	FHTMAPSKNHVMIO-UHFFFAOYSA-N	316.361	1.108	50	20	DDGD	
CN(C)[C@H](C(=O)NNC(=O)Cc1ccncc1)c1ccccc1	82977806	WFTCAVWHTXFPEP-INIZCTEOSA-N	312.373	1.074	50	20	DDGD	
Cc1[nH]ncc1CCCNC(=O)NNc1nc2ccccn2n1	190813951	RVCJIACZSGMHIJ-UHFFFAOYSA-N	314.353	1.020	50	20	DDGD	
CC(=O)NC1(C(=O)NNC(=O)NC2CCCCC2)CCCCC1	194727224	UKPOTNTYWZBIAT-UHFFFAOYSA-N	324.425	1.489	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)c2ccccc2F)nn1C	81811579	GWIKCEARYJKJJP-UHFFFAOYSA-N	304.325	1.757	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1ccc2[nH]nnc2c1	194887467	SVNXHUMITYYAIF-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
Cc1ccc(-c2nc(C)c(C(=O)NNC(=O)N(C)C)s2)o1	194918344	IKSKOZPROWMFGG-UHFFFAOYSA-N	308.363	1.936	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)n1	249310820	MBLVWJNOPXDUCI-BJDJZHNGSA-N	305.382	1.936	50	20	DDGD	
O=C(NCCc1ccc2c(c1)OCCO2)NNc1cccnn1	265452793	AEODWGPJDOYWDY-UHFFFAOYSA-N	315.333	1.117	50	20	DDGD	
Cn1cc(CCCNC(=O)NNc2c(F)cccc2F)cn1	265414522	DHLUQTLTQQXSNB-UHFFFAOYSA-N	309.320	1.957	50	20	DDGD	
CC(C)(C)OC(=O)NNS(=O)(=O)c1cc(C(=O)O)cs1	266998810	FZBZOTOOJBDPBE-UHFFFAOYSA-N	322.364	1.164	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1ccc2c(c1)OCO2	264082150	OHSCDXWXSGUCFH-UHFFFAOYSA-N	307.350	1.682	50	20	DDGD	
C[C@H](C(=O)NNc1nccn(C)c1=O)c1ccc(Cl)s1	267546016	WQKXIFAOFWGPAV-ZETCQYMHSA-N	312.782	1.742	50	20	DDGD	
O=C(CSC[C@H]1CCCCO1)NNc1ncnc2nc[nH]c12	266422474	AWXGHTKPAIPLJC-SECBINFHSA-N	322.394	1.098	50	20	DDGD	
COC(=O)c1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c[nH]1	267802033	QIBJGUUENHXGCA-JXDHDYMSSA-N	303.318	1.003	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cncn1-c1ccccc1	269378256	GFDDLOWOQYWFRI-AWEZNQCLSA-N	314.345	1.202	50	20	DDGD	
C[C@@H]1C(=O)Nc2cc(C(=O)NNC(=O)C(C)(C)C)ccc2N1C	267405652	YODLVVKTZOZDGC-SECBINFHSA-N	318.377	1.271	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(NC(C)=O)ccc1OC	274441275	SEXDKVGNETZIMG-UHFFFAOYSA-N	323.353	1.351	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(C)cc1O	278737887	INWLLXUZRJFCDM-TZMCWYRMSA-N	304.346	1.443	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)[C@@H]1C[C@@]12CCOC2	364108021	IYHSZDIJPJTYSN-WMLDXEAASA-N	302.374	1.583	50	20	DDGD	
COC(=O)NNC(=O)COc1ccccc1OCC(F)(F)F	274294636	OFYWDLKEXBVSBY-UHFFFAOYSA-N	322.239	1.394	50	20	DDGD	
COC(=O)NNC(=O)Cc1cc(Cl)c2c(c1)OCCO2	279020357	UVUOXUZOKPIAGB-UHFFFAOYSA-N	300.698	1.041	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ncccc1Br	279634602	ILVCROKETNCDHH-UHFFFAOYSA-N	301.144	1.197	50	20	DDGD	
CCN1CCOC[C@H]1C(=O)NNc1ccc2ccccc2n1	367608844	SIRVWZDVJLYWMK-AWEZNQCLSA-N	300.362	1.399	50	20	DDGD	
CC1CCN(C(=O)C(=O)NNc2cnc3ccccc3n2)CC1	278004045	RDDTZCXEFCIXBK-UHFFFAOYSA-N	313.361	1.331	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)C1SCCS1	270767928	KVRLVCBFABZTNQ-UHFFFAOYSA-N	312.416	1.278	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1C(=O)NNC(=O)C(=O)Nc1ccccn1	279864641	KUNCPFXKLNIOCK-RYUDHWBXSA-N	318.377	1.384	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CC(C)(C)OC)c1	278774088	LHXJYZBABYNYES-UHFFFAOYSA-N	305.403	1.801	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H](C)c2cnn(C)c2)c1	272672048	PUSAHJKODROKMT-SNVBAGLBSA-N	317.349	1.594	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1CC(c2cccnc2)=NO1	276690834	MWMMFXBPDCSWHC-NSHDSACASA-N	306.322	1.131	50	20	DDGD	
O=[N+]([O-])c1ccccc1CCNS(=O)(=O)CBr	272801494	LJVDBROEYXXUNG-UHFFFAOYSA-N	323.168	1.409	50	20	DDGD	
CS[C@@H](C)CC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	270521551	TXPXGFAKRISMML-NSHDSACASA-N	323.418	1.531	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CC[C@@H]2CC[C@@H](C)O2)nc1	270358504	FTXCCXRNUKAMGJ-PWSUYJOCSA-N	307.350	1.659	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCC(=O)OC(C)(C)C)n1	279830134	QLQKFVCIFGAEHN-UHFFFAOYSA-N	307.350	1.273	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCCN2C2CC2)cc1	279788673	UWICICKXIWHQEK-OAHLLOKOSA-N	317.389	1.148	50	20	DDGD	
CCCN(NC(=O)c1cc(C)nc(O)n1)C(=O)OC(C)(C)C	286577956	SEEOYLYZNZJIGD-UHFFFAOYSA-N	310.354	1.783	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)Nc1ccccc1C	286406163	FBVJFNQWICHOGA-GHMZBOCLSA-N	305.334	1.347	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)c2ccccc2C)n(C)n1	283989105	LWBDUPBIMVQDOC-UHFFFAOYSA-N	301.350	1.181	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)Nc1ccccc1	288716166	CTPCXSTUVUJFLB-ZDUSSCGKSA-N	304.350	1.240	50	20	DDGD	
COC(=O)[C@H]1CC[C@H]1C(=O)Oc1ccc([N+](=O)[O-])cc1OC	286635366	ZPQYKMXXAWPEDX-VHSXEESVSA-N	309.274	1.708	50	20	DDGD	
COc1ccc2c(c1)C[C@H](C(=O)NNc1ncccc1F)CO2	286048664	RGQCWNFSRJKRRY-NSHDSACASA-N	317.320	1.924	50	20	DDGD	
CC[C@H](C)Oc1cc(C(=O)NNC(=O)[C@@H]2CCCO2)ccn1	294480117	BPXSKTIHDCHPML-JQWIXIFHSA-N	307.350	1.199	50	20	DDGD	
O=C(C[C@H]1CCCC(=O)N1)NNc1nccnc1C1CCC1	290935116	PHKKFTUOGFWJNX-LLVKDONJSA-N	303.366	1.246	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)N[C@@H]1CC1(C)C	299046568	GVVLOIVLBZJETR-JOYOIKCWSA-N	309.341	1.722	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cnc(C(F)(F)F)c(C#N)c1	293509334	ACVVCYRRSVCQAI-UHFFFAOYSA-N	302.212	1.315	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)O[C@@H](C)c2nncn2C)cc(C#N)n1C	805386414	PLQBPSVMWAWPSQ-LEBPBNDJSA-N	324.344	1.545	50	20	DDGD	
Cn1cc(/C=C/C(=O)NNC(=O)Nc2cc(F)cc(F)c2)cn1	802005977	FBQAVANKTIYLCX-NSCUHMNNSA-N	321.287	1.564	50	20	DDGD	
NC(=O)Cc1occc1C(=O)NNc1cccc2c1CCCC2	802828115	HYIFTFFYYBLRQQ-UHFFFAOYSA-N	313.357	1.943	50	20	DDGD	
CN1C(=O)CC[C@@H]1C(=O)NNc1cccc(C(F)(F)F)n1	806903320	HRZRXIPTNDNEPT-SSDOTTSWSA-N	302.256	1.164	50	20	DDGD	
CCCc1cnc(NC(=O)NNC(=O)[C@@H]2CCCCO2)s1	296719009	BYVHDWDTAGNICR-JTQLQIEISA-N	312.395	1.817	50	20	DDGD	
Cc1ccc2c(c1)CC[C@@H](C(=O)NNC(=O)[C@@H]1CCCO1)O2	292179574	QKDYXICMKJPABO-KBPBESRZSA-N	304.346	1.015	50	20	DDGD	
COc1ncc(CNC(=O)NNC(=O)CC(C)C)cc1Cl	297061154	JOJUOQHZKIZLFY-UHFFFAOYSA-N	314.773	1.620	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC(=O)c2ccccc21)c1ccccc1O	806345358	VFPZRYCTESARQA-ZDUSSCGKSA-N	324.336	1.914	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccc(Cl)cc2)n1	809957512	ZZEOCBWYXAOCES-UHFFFAOYSA-N	300.705	1.681	50	20	DDGD	
Cc1n[nH]c(C)c1CCC(=O)NNC(=O)Nc1ccccc1	801988741	NYYFIDBLPVNJLQ-UHFFFAOYSA-N	301.350	1.812	50	20	DDGD	
Cc1nnsc1CNC(=O)NNc1cccc([N+](=O)[O-])c1C	293488479	RRDFPNQGSXCYMX-UHFFFAOYSA-N	322.350	1.889	50	20	DDGD	
O=C(NNC(=O)c1n[nH]cc1[N+](=O)[O-])Nc1ccc(Cl)cc1	802021807	BBXGDMBPOWUVEE-UHFFFAOYSA-N	324.684	1.438	50	20	DDGD	
O=C(Cn1cc(Br)cn1)NNc1cccc(F)n1	804767553	ADOKDWPSOIIJCK-UHFFFAOYSA-N	314.118	1.323	50	20	DDGD	
CC(=O)N/C(=C/c1ccccc1)C(=O)NNc1ncncc1F	817078794	VBDOHWJPBLWRMP-NTUHNPAUSA-N	315.308	1.236	50	20	DDGD	
COC(=O)Cc1occ(C)c1C(=O)NNc1cccc(C#N)c1	810679027	JBWAWCVWBZMXRL-UHFFFAOYSA-N	313.313	1.932	50	20	DDGD	
CN(C)c1ccc2c(c1)N(C)C(=O)C2=NNC(=O)CC1CC1	814990204	GRHCEWFFBVMNMR-UHFFFAOYSA-N	300.362	1.349	50	20	DDGD	
COc1ccc(NNC(=O)NCc2cc(C)nc(C)c2)nc1	817171243	SLCKTIZWJAQKFD-UHFFFAOYSA-N	301.350	1.928	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=Cc2c[nH]c(C(=O)O)c2)cc1	814722361	WMDPOHUHIBLLEN-UHFFFAOYSA-N	312.285	1.114	50	20	DDGD	
Cc1[nH]ccc1C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	812729905	VVUHUQSGKRSCNP-UHFFFAOYSA-N	322.390	1.330	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)NCCc1cccs1	811640783	ZPTNVMNITGGPHQ-LLVKDONJSA-N	308.407	1.634	50	20	DDGD	
COc1ccc(CCNC(=O)NNc2ncncc2F)cc1F	814296498	CNJHKCRQYDMSEO-UHFFFAOYSA-N	323.303	1.632	50	20	DDGD	
C[C@@H](NC(=O)c1ccccc1)C(=O)NNc1cccc(Cl)n1	817005006	ZZRTVVNBDAHGHD-SNVBAGLBSA-N	318.764	1.997	50	20	DDGD	
O=C1COc2ncc(C(=O)NNc3cccc(Cl)n3)cc2N1	817007824	RLXRZZJICBRLOQ-UHFFFAOYSA-N	319.708	1.218	50	20	DDGD	
CC(=O)c1cccc(OCCCC(=O)NNc2cnnn2C)c1	816770505	ACEYMUCRZBSQLX-UHFFFAOYSA-N	317.349	1.320	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1	816771593	SIKIJXZHUVTAIU-UHFFFAOYSA-N	324.348	1.235	50	20	DDGD	
CCCCC(=O)N1CSC[C@H]1C(=O)NCC(Cl)Cl	819794573	MODQUDUPSLAADE-QMMMGPOBSA-N	313.250	1.998	50	20	DDGD	
CC(=NNC(=O)Cn1nc(C)cc1C)c1cc(N)ccc1F	814752735	BITVDMUETPYYLJ-UHFFFAOYSA-N	303.341	1.762	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=Cc2cccc(C(=O)O)c2)cc1	814721911	BDKXPMKOCPMPIV-UHFFFAOYSA-N	323.308	1.786	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNc1ccc(-n2ccnc2)nn1	812559090	PNSCXKXCTHYJHF-GHMZBOCLSA-N	304.354	1.024	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1csnn1	814700776	CWRDUPUECANHCV-LBPRGKRZSA-N	304.331	1.218	50	20	DDGD	
O=C(NN=C1C[C@H]2CC[C@H]1C2)c1csc(N2CCOCC2)n1	814751137	HNRLVIMUKQOFPZ-QWRGUYRKSA-N	320.418	1.886	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NN=Cc2cncn2C(C)C)c1	819808749	HBLGFZRTPRKKFY-UHFFFAOYSA-N	314.349	1.581	50	20	DDGD	
CCOCCCCNC(=O)NNC(=O)c1cccc(C#N)c1	728946331	ADFROFPBFCBCAD-UHFFFAOYSA-N	304.350	1.319	50	20	DDGD	
Cc1c(C)c(O)c(C=NNC(=O)Cc2cc[nH]n2)c(C)c1O	814957074	KXRYFPWQNRTGIJ-UHFFFAOYSA-N	302.334	1.439	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@H]2CCN(C)C[C@@H]2C1	812324127	MJRCEJDCXIDZBR-ZIAGYGMSSA-N	324.856	1.762	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2(CN(C)C)CC2)c1F	823435532	RBEDUQMEACACOJ-UHFFFAOYSA-N	309.341	1.397	50	20	DDGD	
Cc1cc(C)n(CCCC(=O)NNC(=O)OCC(F)(F)F)n1	825519017	IIIIYHXYGVEDGN-UHFFFAOYSA-N	322.287	1.600	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(C)(C)NC(=O)OC(C)(C)C	490981594	CXQMNPKNEYTTCJ-UHFFFAOYSA-N	301.387	1.483	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)c1cc(O)nc2c1CCCC2	826852119	YHNXNJOSTMHAAL-UHFFFAOYSA-N	319.752	1.866	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(c2cnccc2C#N)CC1	491104258	NHBKJIIFRPMAMD-OWBHPGMISA-N	311.345	1.046	50	20	DDGD	
CCOC(=O)NN=Cc1c(Cl)cccc1S(C)(=O)=O	494399887	PWCWRTKJAMZXCN-UHFFFAOYSA-N	304.755	1.824	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2cc(C)no2)cn1	729692464	HWXOCCNFIJFHCQ-UHFFFAOYSA-N	307.335	1.018	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)/C=C/[C@H]2CCOC2)c1	822200600	RQYZJXRXHJDPAF-UFFNRZRYSA-N	320.345	1.058	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1ccc(-c2nn[nH]n2)[nH]1	826446659	UBIJGIWMZFLCNT-UHFFFAOYSA-N	323.238	1.369	50	20	DDGD	
C#CCCOc1ccc(C(=O)NNC(=O)NCC2CC2)cc1	822785785	CCXZJYXREDYHCB-UHFFFAOYSA-N	301.346	1.443	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)CCCC(=O)C2CC2)c1	822222992	ATEZHTQZLJEBLX-UHFFFAOYSA-N	317.389	1.663	50	20	DDGD	
CN(C)CC(=O)NN=Cc1ccc(OCc2ccncc2)cc1	727647667	BNUFWNFVYXWNKM-UHFFFAOYSA-N	312.373	1.672	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H]2Cc3cccc(C)c3O2)n1	824845360	KBYYCRFZMSZTEQ-NSHDSACASA-N	300.318	1.240	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(C)on2)c2ccccc2n1	728985945	FZYOAHUFEJNQOM-UHFFFAOYSA-N	310.313	1.914	50	20	DDGD	
Cn1c(NNC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)nc2ccccc2c1=O	823320608	VTDAOGXLOGUGHY-GMXVVIOVSA-N	312.373	1.813	50	20	DDGD	
CC(C)Oc1ccc(NC(=O)NN(C)C2CC2)cc1C(N)=O	824321066	QFOYNQQXYBWGDY-UHFFFAOYSA-N	306.366	1.703	50	20	DDGD	
CC(C)[C@H]1CC[C@@H](C)CCN1C(=O)c1ccc(B(O)O)cc1	584948626	MUDQYXCWSIXIND-CZUORRHYSA-N	303.211	1.653	50	20	DDGD	
COc1ccc(CN(C)CC(=O)NNC(=O)C(C)C)cc1F	827332461	OHQQGTBWOAICNF-UHFFFAOYSA-N	311.357	1.070	50	20	DDGD	
OB(O)c1cccc(CNc2ccccc2N2CCCCC2)c1	585012363	VXXIDUGMDNDPGB-UHFFFAOYSA-N	310.206	1.969	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC	490753070	ILDZOZMSOZREDR-ZSMUJPCHSA-N	316.357	1.721	50	20	DDGD	
C[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1cccc(B(O)O)c1	584910528	CCEJXGJCBNEJRG-XUJVJEKNSA-N	305.183	1.289	50	20	DDGD	
CN(C)C(=O)O[C@@H]1CCN(C(=O)[C@@]2(C)C[C@@H]2Br)C1	908536992	KOSQXPYWAISYLE-PTRXPTGYSA-N	319.199	1.459	50	20	DDGD	
CCOCC(=O)NN=C(C)c1nnn(-c2ccccc2)c1C	731154653	WPFDQPDGUCTTKH-UHFFFAOYSA-N	301.350	1.452	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)C1(Cc2ccc(F)cc2)CCOCC1	823922191	IWUOWZODWCKOIE-CYBMUJFWSA-N	324.396	1.509	50	20	DDGD	
CCOC(=O)NNC(=O)CCN(C(=O)OC(C)(C)C)C(C)C	491075737	KPCTXRDLNCAQHK-UHFFFAOYSA-N	317.386	1.799	50	20	DDGD	
Cc1cccc([C@H]2C[C@H](NC(=O)c3ccc(B(O)O)cc3)C2)c1	584984414	UUXMPLITDIDAJD-JCNLHEQBSA-N	309.174	1.351	50	20	DDGD	
O=C(O)c1cc(C=NNC(=O)[C@H]2CCOC2)sc1Cl	901232757	DTHDATWXUFIJOB-LURJTMIESA-N	302.739	1.586	50	20	DDGD	
CSCC[C@@H](C)N(C)[C@H](C)C(=O)NNC(=O)CC(C)C	736318845	OYCHNIRESBAMSU-VXGBXAGGSA-N	303.472	1.642	50	20	DDGD	
Cc1oc(C=NNC(=O)c2ccnc(N(C)C)c2)cc1C(=O)O	738969739	QBOZOGVZQAVBRV-UHFFFAOYSA-N	316.317	1.511	50	20	DDGD	
C[C@H]1CCCc2ncc(-c3nc(-c4ccc(B(O)O)cc4)no3)n21	585051716	LQCOSPWEQFYFJH-JTQLQIEISA-N	324.149	1.177	50	20	DDGD	
COC(=O)N1CC(NC(=O)NNc2ccc(C)cc2Cl)C1	496421038	WJHNKPDKGCFRFU-UHFFFAOYSA-N	312.757	1.725	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccnc(OCC(F)(F)F)c1	494713516	WCOCVDNWXORBNA-UHFFFAOYSA-N	308.216	1.415	50	20	DDGD	
C[C@@H](C(=O)O)n1cccc1C=NNC(=O)c1ccc(N)cc1	833406337	MXULZAFHLBQDDB-JTQLQIEISA-N	300.318	1.480	50	20	DDGD	
CCCN(CC(=O)NNC(=O)c1ccc(C#N)cc1)CC1CC1	839455481	FLEXSOVSPJWQTC-UHFFFAOYSA-N	314.389	1.441	50	20	DDGD	
CCn1ccnc1[C@@H](C)NC(=O)NNc1nc2ccccn2n1	838688781	PQILUTZYYBTABP-SNVBAGLBSA-N	314.353	1.333	50	20	DDGD	
C[C@H]1C[C@@H](NS(=O)(=O)CCl)C(=O)N1c1ccccc1	830707121	BBOKRKJMVHMUGP-GXSJLCMTSA-N	302.783	1.296	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NNC2=N[C@H]3C=C[C@H]2C3)n1	739399709	HCFKYHQTNUVYDF-QWRGUYRKSA-N	303.391	1.163	50	20	DDGD	
Cc1cccc(OC[C@H](C)NC(=O)NNC(=O)C2CCC2)c1	732243622	ZIJHNVJHNAPVLB-LBPRGKRZSA-N	305.378	1.893	50	20	DDGD	
N#CC(C#N)=CNCCN1CCN(C(=O)C2CCCCC2)CC1	733120086	AOGSTMLGJMZXLK-UHFFFAOYSA-N	315.421	1.232	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCCOc3c(F)cccc32)cc1	585033672	IXCKLCWNMUBWEM-MRXNPFEDSA-N	315.153	1.509	50	20	DDGD	
C[C@]1(C(=O)N2CCC[C@H](CCC(N)=O)C2)C[C@H]1Br	906522439	KFTCZQGUBKSITE-BREBYQMCSA-N	317.227	1.664	50	20	DDGD	
O=C(CC1COC1)NNC(=O)Nc1ccc(OC(F)F)cc1	908051702	UPIYYZMKEYOGDU-UHFFFAOYSA-N	315.276	1.477	50	20	DDGD	
CC(C)CCn1nccc1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	831700522	IPUSXCNPDJEGKH-VXGBXAGGSA-N	323.397	1.507	50	20	DDGD	
Cc1ccc(C[C@H](C)NC(=O)c2ccc(B(O)O)cc2)c(C)c1	584941490	JAIUPAMLVLYHLN-AWEZNQCLSA-N	311.190	1.344	50	20	DDGD	
CC(C)CO[C@H](C)C(=O)NNC(=O)CCc1ccccc1O	730032169	MRFQZEZFIIRLAU-GFCCVEGCSA-N	308.378	1.533	50	20	DDGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2cnc[nH]2)c1C	734256188	OBBMZHXTHLDBBZ-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
Cc1ccc(N2CCN(S(=O)(=O)CCl)CC2=O)cc1	831490585	UNDQLYNYWZFDPP-UHFFFAOYSA-N	302.783	1.170	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)C#CC2CC2)cc1OC	837314101	QAIQEPAQKQEFFD-UHFFFAOYSA-N	316.357	1.658	50	20	DDGD	
CC(=NNC(=O)Cn1cnc2ccccc21)c1cc(O)ccc1O	916273725	CVFCLYFZLHUANH-UHFFFAOYSA-N	324.340	1.988	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(-n2nncc2C)cc1	831993794	WCYKMCLGOPQFNP-UHFFFAOYSA-N	317.353	1.274	50	20	DDGD	
CC(C)NC(=O)NN=Cc1ccc(OCC(=O)O)c([N+](=O)[O-])c1	731558208	MOFUDMOTKYGVRI-UHFFFAOYSA-N	324.293	1.100	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2ccccc2N2CCOCC2)cn1	735413581	NOSNWNBOPHZZQP-UHFFFAOYSA-N	313.361	1.021	50	20	DDGD	
CCC[C@H](C)NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c1cnn(C)c1	837969477	OFDZWIUBAINWFW-CUJVOCRZSA-N	318.377	1.564	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@H]1C[C@H]2CCCCN2C1=O	836689215	AJYHVCAJZVDWII-NEPJUHHUSA-N	303.366	1.170	50	20	DDGD	
O=C(CCOc1ccccc1)NN[C@H](C(=O)O)c1cccnc1	833103379	YBWQIRYEJDXECO-HNNXBMFYSA-N	315.329	1.297	50	20	DDGD	
O=C(NNC(=O)c1cc(C(F)F)[nH]n1)OCC(F)(F)F	912597691	ZRYIUAVKOUYDLD-UHFFFAOYSA-N	302.159	1.281	50	20	DDGD	
CCCNC(=O)NNC(=S)N[C@@H]1CCc2ccccc2C1	742990439	OVUGOGMNXDNWMO-CYBMUJFWSA-N	306.435	1.632	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)[C@@H]1Cc2ccccc21	742053754	RYAHJJAYXSIOPD-CQSZACIVSA-N	315.398	1.961	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CSCc1ccccn1	918551799	XCQYLMZONOVDFE-UHFFFAOYSA-N	304.375	1.115	50	20	DDGD	
Nc1cc(C(=O)NN=Cc2ccc(O)cc2O)cc([N+](=O)[O-])c1	916345140	LUFHYNLJPUPYHZ-UHFFFAOYSA-N	316.273	1.352	50	20	DDGD	
CC(C)(C)N1C[C@H](C(=O)NNC(=O)CC2CCCC2)CC1=O	749944619	COZMEBBBXPNEKK-GFCCVEGCSA-N	309.410	1.361	50	20	DDGD	
CC[C@@H](C)c1nc(C)c(CC(=O)NNC(=O)N(C)C)c(C)n1	847403367	VDONMGPOSQHYSW-SECBINFHSA-N	307.398	1.452	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=C1CCN(c2nccs2)CC1	842559196	ZWPLVCBXCUXMKQ-CMPLNLGQSA-N	308.407	1.641	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1cnc(C2CC2)nc1	841640623	LNMWZEQQEVERKK-UHFFFAOYSA-N	312.329	1.589	50	20	DDGD	
CC(C)C(=O)NN=Cc1ccc(C=NNC(=O)C(C)C)cc1	916327143	ADZWGNVIRNQFIZ-UHFFFAOYSA-N	302.378	1.899	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=C1CCN(C)[C@@H](C)C1	741455950	NUGZAUBMJYJRSU-LBPRGKRZSA-N	313.405	1.931	50	20	DDGD	
O=C(CC[C@@H]1CC1(Cl)Cl)NNC(=O)NCC(F)(F)F	847116882	SJICRKMRYHNMLP-RXMQYKEDSA-N	322.114	1.853	50	20	DDGD	
O=C(CS[C@H]1CCc2ccccc2C1)NNC(=O)C1CC1	849960820	ZNOSFPQQUKQQCB-AWEZNQCLSA-N	304.415	1.835	50	20	DDGD	
NCC[C@@H](NC(=O)NNc1ncccc1Cl)C(F)(F)F	841335837	VVYVECMXKQGHSV-SSDOTTSWSA-N	311.695	1.641	50	20	DDGD	
COC(=O)N1CCC(=NNC(=O)CCc2ccccc2)CC1	749744748	IVTXLKDSJCBHOH-UHFFFAOYSA-N	303.362	1.954	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1ccc2n[nH]cc2c1	746606858	ILHKIRRHVKHRDI-UHFFFAOYSA-N	324.340	1.541	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2cccc([N+](=O)[O-])c2)CCN1C	745859163	YGEJTZYEQRXEIY-GHMZBOCLSA-N	307.354	1.704	50	20	DDGD	
CCc1ccc(CN(C)CC(=O)NNC(=O)C(C)(C)C)cc1	744385226	UFVFIGTXLBBATK-UHFFFAOYSA-N	305.422	1.874	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C[C@H](OC)[C@H]2CCOC2)c1	841611280	ZQLQCYUEBALODZ-NHYWBVRUSA-N	322.361	1.471	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1cccc(NS(C)(=O)=O)c1	912977486	SXGVHANAIFVEKL-MDZDMXLPSA-N	309.347	1.441	50	20	DDGD	
CC(C)COc1ccccc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843651788	OUNVSNDJWIZZNF-OLZOCXBDSA-N	320.389	1.907	50	20	DDGD	
COCCOCC(C)=NNC(=O)Nc1ccc(C(=O)O)cc1	743445001	ZAVFRAQROMWALM-UHFFFAOYSA-N	309.322	1.545	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cc(N2CCOC2=O)ccc1F	741662069	JRXREUIOVFABNU-UHFFFAOYSA-N	309.297	1.199	50	20	DDGD	
CC(C)N(CCC(=O)NN(C)C[C@H](C)O)C(=O)OC(C)(C)C	910166083	RZYLXIWIBHONDD-LBPRGKRZSA-N	317.430	1.366	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)Cc2nc[nH]n2)C1	912583593	YOBZNPPDCJJKCI-NSHDSACASA-N	310.474	1.970	50	20	DDGD	
COC[C@@](C)(O)C(=O)NNc1ccccc1Br	748065965	JXLNSUXLBVLTRC-LLVKDONJSA-N	303.156	1.290	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)C2CCCC2)cc1O	916642201	SETUEYJZVYPWJY-UHFFFAOYSA-N	307.350	1.421	50	20	DDGD	
COc1ccccc1CCC(=O)NNc1ccnc(N(C)C)n1	740103294	YOSKYRMKUYIFMJ-UHFFFAOYSA-N	315.377	1.627	50	20	DDGD	
CC[C@](O)(CC(=O)NNC(=O)c1cc(C)[nH]n1)c1ccccc1	840406942	BMDQLTCQYOKCNY-INIZCTEOSA-N	316.361	1.167	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)c1ccccc1C	923911522	NFXNIGOZJKLCPU-NEPJUHHUSA-N	306.362	1.588	50	20	DDGD	
C[C@@H]1COC[C@H]1NC(=O)NNC(=O)Nc1ccc(Cl)cc1	926021485	XZIZSAGUSDVCJL-LDYMZIIASA-N	312.757	1.711	50	20	DDGD	
COC1(C(=O)NNC(=O)CNc2ccc(C)cc2)CCCC1	754173791	LYDFFCTYCLPHAF-UHFFFAOYSA-N	305.378	1.514	50	20	DDGD	
O=C(CO)NNC(=O)Nc1cccnc1Oc1ccccc1	755877620	DKXYKOCWKFMELI-UHFFFAOYSA-N	302.290	1.019	50	20	DDGD	
CSc1c(F)cccc1NC(=O)NNC(=O)CCCN	850754187	KYGIJVMNQKUIMS-UHFFFAOYSA-N	300.359	1.439	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)C(=O)Nc1ccccn1)C(C)(C)C	758834579	RDTFPRJCTOFYKS-MDZDMXLPSA-N	304.350	1.160	50	20	DDGD	
O=C(C[C@H]1CCC(=O)N1)NNC(=O)Nc1ccc(Cl)cc1	854377317	KRURBRNJIOXWCB-SNVBAGLBSA-N	310.741	1.161	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@H](C)[C@H]1CCCN(C2CCC2)C1	754462872	GMKMBQAVUHVOBB-RDBSUJKOSA-N	324.469	1.175	50	20	DDGD	
CC(C)S(=O)(=O)CC(=O)NNc1cc(F)cc(Cl)c1	855619567	RCRQIJOSIZGRKY-UHFFFAOYSA-N	308.762	1.745	50	20	DDGD	
C[C@H]1CC(F)(F)CCN1CC(=O)NNC(=O)c1ccccc1	859838045	IFIDXKBBPYMQKF-NSHDSACASA-N	311.332	1.567	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H](CN1CCCC1)c1ccccc1	854665939	JFSZTTFHWBTDBB-MRXNPFEDSA-N	315.417	1.814	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1nnc(O)c2ccccc12	920953450	IVWNNWPWDCYIFW-UHFFFAOYSA-N	320.312	1.969	50	20	DDGD	
C=C(CBr)CN1CCC(N2CCOC2=O)CC1	852720670	PGNUJHFAOHVBGT-UHFFFAOYSA-N	303.200	1.854	50	20	DDGD	
CCC(F)(F)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	854181580	YOBWKCYZCDRXBT-JTQLQIEISA-N	300.261	1.019	50	20	DDGD	
Cn1cnnc1SCC(=O)NC[C@]1(C)C[C@H]1Br	857735151	XTBCIXYPGWOTOC-XCBNKYQSSA-N	319.228	1.197	50	20	DDGD	
Cc1cc(CNC(=O)NC[C@@]2(C)C[C@H]2Br)n[nH]1	856835292	OSWVSRWOAXGZDB-MWLCHTKSSA-N	301.188	1.691	50	20	DDGD	
CCC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)c1cn[nH]c1	858185038	REHWRYMZLHKIDD-AWEZNQCLSA-N	315.377	1.765	50	20	DDGD	
COc1ccc(NCC(=O)NN=C2CCCn3nccc32)cc1	853263097	XUANCCFXWUJXBN-UHFFFAOYSA-N	313.361	1.618	50	20	DDGD	
COC[C@](C)(CC(=O)OC)NC[C@H](CBr)C1CC1	859197388	FQHBIHUFXKPEOC-AAEUAGOBSA-N	322.243	1.965	50	20	DDGD	
CCn1nncc1C(=O)OC[C@@H](CBr)C1CC1	859706912	YYXOVASRORKKPI-SECBINFHSA-N	302.172	1.876	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	852202020	VRPPKAMIYAKCCB-UHFFFAOYSA-N	324.425	1.063	50	20	DDGD	
CSc1ccc(NC(=O)NNC(=O)c2cccn2C)nc1	758002357	AKLJRJBTACRXRP-UHFFFAOYSA-N	305.363	1.609	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2c[nH]nc2C)c(Cl)n1	757687023	LSNIVOIMGYORSL-UHFFFAOYSA-N	324.728	1.242	50	20	DDGD	
O=C(CCc1cccc([N+](=O)[O-])c1)NNC(=O)C1CCCC1	755156331	PMEPGDFFUNVWRD-UHFFFAOYSA-N	305.334	1.865	50	20	DDGD	
CCN1CCCC[C@@H]1CNC(=O)NNc1ncc(Cl)cn1	856861704	HUPFHDJCBQNWMD-LLVKDONJSA-N	312.805	1.631	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCCC[C@@H]1[C@H](C)CO	852426354	PJRWTYPKYHQNRG-HZSPNIEDSA-N	313.442	1.051	50	20	DDGD	
Cc1ccccc1-n1cc(C(=O)NCCCSC#N)nn1	854367448	TXVYZIFOYVAGNN-UHFFFAOYSA-N	301.375	1.910	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=Cc1ccc(F)cc1F	750945899	RUJGKKCSPQDIDR-UHFFFAOYSA-N	323.324	1.906	50	20	DDGD	
O=S(=O)(CCCCCl)NCc1nc(C(F)F)no1	867427269	NDSUJDQJPBCDFQ-UHFFFAOYSA-N	303.718	1.446	50	20	DDGD	
CC(C)(C)[C@@H](O)C(=O)NNC(=O)c1cccc(OC(F)F)c1	764994371	YMALCESHZMELDK-JTQLQIEISA-N	316.304	1.456	50	20	DDGD	
O=C1N[C@H](C(=O)NNc2cc(Cl)ccc2[N+](=O)[O-])CCO1	861887817	YVZXRDRUNURAOP-ZETCQYMHSA-N	314.685	1.190	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)C1(F)CCOCC1	868135903	CRPHRZQTYGOHLC-UHFFFAOYSA-N	305.309	1.490	50	20	DDGD	
CN1CCCC[C@H](CNS(=O)(=O)CC(C)(C)CCl)C1	867561049	YVQCZYDSYIIRJP-GFCCVEGCSA-N	310.891	1.903	50	20	DDGD	
O=C(NNc1ccc(F)cn1)NC1(C(F)(F)F)CCOCC1	932310108	IBCWPPSDTFJSQE-UHFFFAOYSA-N	322.262	1.958	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(F)c1[N+](=O)[O-])[C@H]1CCC(=O)N1	861410819	VJDLVPQJRMKTBW-VXNVDRBHSA-N	310.285	1.092	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C1CCC[C@@H](c2cccnc2)C1	863186690	IFKYSBCAXFPBPF-LLVKDONJSA-N	309.391	1.256	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CSCc2ccc(F)cc2)n[nH]1	765582605	DMJZBXNMSTYBKL-UHFFFAOYSA-N	322.365	1.552	50	20	DDGD	
Cc1csc(CCC(=O)NNC(=O)Cc2ccc(F)cc2)n1	767440430	SFPJCEXQOIIESS-UHFFFAOYSA-N	321.377	1.913	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@]2(C)CCc3ccccc32)n[nH]1	869018073	ZAGPWQYXAPFZIR-QGZVFWFLSA-N	312.373	1.312	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)OCCCS(N)(=O)=O	766750149	GMJPIEBMVGYVGI-SSDOTTSWSA-N	316.217	1.018	50	20	DDGD	
COc1ccc(CC(=O)NNc2ncc(F)cn2)cc1[N+](=O)[O-]	760915077	TUNWQHSVWKVHCB-UHFFFAOYSA-N	321.268	1.218	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1sc(C)nc1CC(C)C	763442074	QMYDCFUVQSHNSZ-UHFFFAOYSA-N	312.395	1.146	50	20	DDGD	
CCOCC(=O)NNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1	764325322	JIVNGDHRKVMVEY-UHFFFAOYSA-N	321.377	1.107	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C[C@@H]1CCC[C@H](C(F)(F)F)C1	863184329	WYJULKMOBBURNY-BDAKNGLRSA-N	314.329	1.502	50	20	DDGD	
C[C@@](O)(CNC(=O)CCCC[C@@H]1CCSS1)C(=O)O	769742198	JLOAFXLUCGNHFD-BXKDBHETSA-N	307.437	1.652	50	20	DDGD	
Cc1noc(C(F)F)c1C(=O)NNc1nc2ccccn2n1	1116747136	GSCUNNXESYVOFF-UHFFFAOYSA-N	308.248	1.720	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cccc(S(=O)(=O)CC)c1	1116336484	BOILXFQTYGSQAH-ZHACJKMWSA-N	308.359	1.863	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc(C)c(-c2nc(C)co2)c1	763517334	HCKKBNOOBLUGLF-UHFFFAOYSA-N	316.317	1.064	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2CSC[C@@H]2C)cc1	1117420193	TWOCYMUNFZIODO-JOYOIKCWSA-N	309.391	1.391	50	20	DDGD	
Cc1cc(F)c(C(F)(F)F)cc1NC(=O)NNC(=O)CO	879650339	VQEHFAVRWWONBF-UHFFFAOYSA-N	309.219	1.298	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)NNc1ccc(F)cn1	874651905	XBJMUYRZYGTIIN-LLVKDONJSA-N	308.357	1.701	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=CCCc1ccc2c(c1)CCO2	774389422	VZTCOEFPXWSVHY-CYBMUJFWSA-N	320.389	1.708	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1cccc(OCCN(C)C)c1	875058445	OVNSMLCLHHCKBL-UHFFFAOYSA-N	324.381	1.039	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CSCC#N)c(C)c1	873758858	YFLCPGSUJDWCAP-UHFFFAOYSA-N	308.432	1.878	50	20	DDGD	
NC(=O)NCCCCC(=O)NNc1cc(Cl)ccc1F	871271961	GHUHOVXYNMDNGN-UHFFFAOYSA-N	302.737	1.761	50	20	DDGD	
O=C(NNc1ccccc1)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1	779819842	PNDCDPVAUNJORI-ZIAGYGMSSA-N	312.329	1.101	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(Cl)cn2)o1	773546999	RATXOQNGJGUWRU-UHFFFAOYSA-N	322.708	1.036	50	20	DDGD	
O=C(CO)NNC(=O)C1(c2c(Cl)cccc2Cl)CCC1	774063746	DHZMQAWKDVPMGV-UHFFFAOYSA-N	317.172	1.555	50	20	DDGD	
CCOc1nc(C(=O)NNC(=O)C(C)(C)c2ccccc2)co1	772935616	DCZKWRZPWNRTAO-UHFFFAOYSA-N	317.345	1.812	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CO[C@@H]2CCOC2)c1	1119093771	VXHWZBPPWDRVNM-GFCCVEGCSA-N	323.418	1.427	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H]1CCCN(c2ccccc2)C1	875544545	WRDCCCWMJTWWAB-CYBMUJFWSA-N	320.393	1.815	50	20	DDGD	
CCN(CC(=O)NNC(=S)Nc1cc(C)ccc1F)C1CC1	874946207	AAEGPXPJSWICKP-UHFFFAOYSA-N	324.425	1.936	50	20	DDGD	
CCC(=NNC(=O)c1cc[nH]n1)c1cccc(OC)c1OC	872388283	MWENLXQJHFSFIK-UHFFFAOYSA-N	302.334	1.971	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=C2CC(=O)N3CCCC[C@@H]23)cc1	872411016	UDEIOZCIHAYTSS-ZDUSSCGKSA-N	315.329	1.255	50	20	DDGD	
CC(=NNC(=O)c1sc(N)nc1C)c1ccc(O)cc1O	874105750	JFNGSYDNTKCNDX-UHFFFAOYSA-N	306.347	1.599	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CCc1ccc(F)cc1	771902751	QRNCVESUATUHSG-JTQLQIEISA-N	310.325	1.247	50	20	DDGD	
CS[C@@H](C)CCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	774076653	JSTRJNNQCDIABI-QWRGUYRKSA-N	308.469	1.010	50	20	DDGD	
CC1(c2nccc(NC(=O)NNC(=O)c3ccccc3)n2)CC1	888040490	MZWYTXITHZBERK-UHFFFAOYSA-N	311.345	1.995	50	20	DDGD	
CC(=NNC(=O)Cn1nc(C)cc1C)c1c(O)cccc1F	884396776	MOBYEUQEQZHCPE-UHFFFAOYSA-N	304.325	1.885	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccnn1C1CCCC1	883066464	XVOIUUQWWVWYHS-UHFFFAOYSA-N	306.366	1.186	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccccc1SC	771889608	BHJWGIXXFQBCRG-SECBINFHSA-N	310.375	1.511	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@H](C)n2cccn2)cc1O	882052065	WDLRGJVBHNDOPV-NSHDSACASA-N	302.334	1.309	50	20	DDGD	
CCOC(=O)C(CC)(CC)CNS(=O)(=O)CCCCl	882475250	JUEQIKMQQWWNGE-UHFFFAOYSA-N	313.847	1.904	50	20	DDGD	
CC(C)(C)S(=O)(=O)CC(=O)NNc1cc(F)ccc1F	885142730	IDTHJXDHQFCLJU-UHFFFAOYSA-N	306.334	1.621	50	20	DDGD	
C[C@@H](Oc1cccc(F)c1)C(=O)NNC(=O)C1CCOCC1	883061418	UBJHAAZNBUBFLM-SNVBAGLBSA-N	310.325	1.167	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)C1CCOCC1)c1ccncc1	883450126	BUILKFVBINADKU-ZDUSSCGKSA-N	306.366	1.290	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C#N)cc1)c1cc(C)nn1C	788955268	UNHFOFDELUSKOQ-UHFFFAOYSA-N	311.345	1.519	50	20	DDGD	
CSc1ccc(C)c(NC(=O)C(=O)NNc2cccnn2)c1	784858634	RXWMSLHUFKWTPW-UHFFFAOYSA-N	317.374	1.589	50	20	DDGD	
C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NN(C)C(=O)NCC	780706472	QSONKRPAWTWSJC-LLVKDONJSA-N	316.361	1.194	50	20	DDGD	
COc1cccc(NNC(=O)NCCc2cnc(C)s2)n1	780031112	DSIGGPNFMJQGAR-UHFFFAOYSA-N	307.379	1.724	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cn(C)nc1C(F)(F)F	782817681	HVNSVAYYZVCSJB-ZCFIWIBFSA-N	307.276	1.638	50	20	DDGD	
CC(C)[C@H](NS(=O)(=O)CCCCl)[C@H](O)C(F)(F)F	882156905	MKHMDOJBLFXTFY-YUMQZZPRSA-N	311.753	1.483	50	20	DDGD	
CC(CCCCN(C)C)=NNC(=O)CNC(=O)c1cccs1	781121433	AYULGTWMSNNZAG-UHFFFAOYSA-N	324.450	1.702	50	20	DDGD	
CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)COc1cc(C)ccc1C	899940258	IUMTWUKHFMAUNQ-CHWSQXEVSA-N	308.378	1.237	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2ccccn2)c1	780814280	WNKHEYVIZIHOLH-UHFFFAOYSA-N	300.318	1.695	50	20	DDGD	
Cn1ccc2cccc(NC(=O)C(=O)NNc3cnccn3)c21	788331668	UFYSLJYUXJUDGM-UHFFFAOYSA-N	310.317	1.050	50	20	DDGD	
CN1CCC[C@@H]1c1cc(C(=O)NNc2nccnc2Cl)n[nH]1	896385129	GOIGADCZWADSKK-SNVBAGLBSA-N	321.772	1.377	50	20	DDGD	
Cc1ccc(C)c(-c2cc(C(=O)NNC(=O)C(F)F)n[nH]2)c1	787478980	AURIKRQFAMRBEA-UHFFFAOYSA-N	308.288	1.720	50	20	DDGD	
O=C(NNc1ncncc1Cl)N[C@H]1CCO[C@H](C2CC2)C1	781016832	QNCVXSLEXKBSRC-ONGXEEELSA-N	311.773	1.714	50	20	DDGD	
CN(C)[C@@H](CC(=O)NNC(=S)NC(C)(C)C)c1ccccc1	899996352	UBSGCCYWIQYZPQ-ZDUSSCGKSA-N	322.478	1.973	50	20	DDGD	
COc1cccc2c1CCCC2=NNC(=O)C(=O)NC1CC1	799475669	ZXTSOKFINOULQX-UHFFFAOYSA-N	301.346	1.130	50	20	DDGD	
CC[C@H](O)[C@H](C)C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	899947958	AWZDZXJMWVPOHG-MJBXVCDLSA-N	322.405	1.625	50	20	DDGD	
COC(=O)c1coc(C(C)=NNC(=O)c2cccc(C)n2)c1	794563919	BKBMSKOUCBJNCM-UHFFFAOYSA-N	301.302	1.924	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)CNc1ccc(C)cc1C	794907533	XQKGCYWJUKUMTM-MLGOLLRUSA-N	321.421	1.924	50	20	DDGD	
C=C(CBr)COC(=O)Cn1nnnc1C(C)C	795534025	WNBFHGMOJUKOAG-UHFFFAOYSA-N	303.160	1.291	50	20	DDGD	
CN(C)c1ccc(C=NNC(=O)C(C)(C)O)c(C(F)(F)F)c1	794535890	LVMRRFZDCWUIEY-UHFFFAOYSA-N	317.311	1.992	50	20	DDGD	
N#Cc1ccc(S(=O)(=O)NNC(=O)NC2CCCC2)s1	797818761	VGCNKQYDLLWIHW-UHFFFAOYSA-N	314.392	1.055	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN(CC(F)(F)F)C1)C1CCCC1	791507473	JNMKDADYXPZGHX-SNVBAGLBSA-N	307.316	1.208	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C[C@@H](C)C(=O)c1ccccc1	1318473229	GZJJDKSSHAIZGW-LLVKDONJSA-N	307.419	1.799	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC2CCSCC2)cc1	1318491689	IFJKPBXLIPENDZ-UHFFFAOYSA-N	323.418	1.782	50	20	DDGD	
Cc1noc([C@@H](C)NC(=O)NNc2ccc(C(C)(C)C)nn2)n1	1318693687	HTXLJXXBFWHWDV-MRVPVSSYSA-N	319.369	1.853	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cc2cc[nH]c2cn1	1329889079	WSCMIPCCRMKEJL-WCBMZHEXSA-N	303.322	1.141	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CCCCN1Cc1cccnc1	1323262335	VHGJIORQUATABY-ZDUSSCGKSA-N	306.366	1.166	50	20	DDGD	
Cc1cccc2nc(C(=O)NNc3ncncc3Cl)cn12	1325985736	RMLLRLKQCJEEJI-UHFFFAOYSA-N	302.725	1.843	50	20	DDGD	
Cc1ccc(NNC(=O)CNS(=O)(=O)c2ccccc2)cc1	1325875378	VDYJKZAMYPNXPE-UHFFFAOYSA-N	319.386	1.417	50	20	DDGD	
O=C(CO[C@H]1CCOC1)NNC(=O)C12CC3CC(CC(C3)C1)C2	1322310633	GWOKQECTOWOLCC-ZZTKBFGJSA-N	322.405	1.156	50	20	DDGD	
Cc1noc(C)c1C(=O)NNc1ccccc1S(C)(=O)=O	1253094272	BHDJYRGHTJXGAT-UHFFFAOYSA-N	309.347	1.452	50	20	DDGD	
O=S(=O)(CCCCl)NCc1cc(Br)no1	718888517	HJMQGNHKFIBODY-UHFFFAOYSA-N	317.592	1.485	50	20	DDGD	
COc1cccc(C[C@H](O)C(=O)NNc2cc(Cl)ccn2)c1	1255530306	CKUZRKSFEPEWKZ-ZDUSSCGKSA-N	321.764	1.790	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCCC(=O)OC(C)(C)C	1332449072	BSCDGPKPIRFKPG-UHFFFAOYSA-N	309.366	1.298	50	20	DDGD	
CN[C@@H](C)CCNC(=O)NNC(=O)c1cn(C)c2ccccc12	1331467475	YASWKBQLXIKZFX-NSHDSACASA-N	317.393	1.120	50	20	DDGD	
CC(C)(C)NCC(=O)NNC(=O)Cc1cccc2ccccc12	1251547997	ZNXNHRPMAVLXBU-UHFFFAOYSA-N	313.401	1.918	50	20	DDGD	
CC(C)(C(=O)NC[C@]1(C)C[C@H]1Br)n1ccc(N)n1	1334670449	UPOJJNVAVAQCKE-PELKAZGASA-N	315.215	1.490	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)OC(C)(C)C	1335401806	PDXMPACLGUHBBY-BBBLOLIVSA-N	313.354	1.019	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@@]2(CCOC2=O)C1	1336358399	VZAKMRLGVBEAOI-JZUUQJBKSA-N	314.316	1.898	50	20	DDGD	
Cn1ccc(NNC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)n1	1331515499	QXADTSMMBNKKJQ-SNVBAGLBSA-N	317.324	1.055	50	20	DDGD	
CS[C@H](C)CNC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1331359565	RCRIESUPEMTQCO-FYBVGQRMSA-N	323.256	1.144	50	20	DDGD	
CC(C)N1CCC[C@@H]1C(=O)NNC(=O)CNc1ccccc1	1335404752	IAEFOWKCXUBZNX-CQSZACIVSA-N	304.394	1.119	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCC[C@@H](C)NC)c1ccccc1	1261376399	OCCMNBJRZFDBTK-TZMCWYRMSA-N	306.410	1.509	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)N1CCNC[C@H]1CO	1263180147	FIPCBXSFSIXDLT-NWDGAFQWSA-N	304.481	1.493	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(Cl)ccc1O	1262355859	KRBFKMCNMZCTRJ-GWCFXTLKSA-N	324.764	1.788	50	20	DDGD	
COC(=O)c1ccccc1S(=O)(=O)NCCCSC#N	1262191113	KNAXUKADVXDIOF-UHFFFAOYSA-N	314.388	1.356	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)[C@H]2CC(c3cnn(C)c3)=NO2)c1	1262615169	CRLYAKBXYJMCCI-OAHLLOKOSA-N	313.361	1.673	50	20	DDGD	
CC(C)CC(=O)N1CCCC[C@H]1C(=O)NNc1ccncn1	1347021425	OKJUUSVPVYZRTL-LBPRGKRZSA-N	305.382	1.347	50	20	DDGD	
CS[C@@H]1CC[C@@H](NC(=O)NNc2nncc(N)c2Cl)C1	1340525739	CVTKCFLPUZXUMV-RNFRBKRXSA-N	316.818	1.622	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)OC[C@@]2(C)C[C@@H]2Br)C1	1515797982	JMHDEOFGQAVVEB-OUJBWJOFSA-N	318.211	1.962	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H]2CCOC2(C)C)cccc1C(=O)O	1607553418	SGQNGUUBXFSOHO-GFCCVEGCSA-N	307.350	1.887	50	20	DDGD	
CSSCCNS(=O)(=O)c1cc(C)c(C(=O)O)o1	1607400840	QRPZHQUKLOGXNS-UHFFFAOYSA-N	311.406	1.576	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)o1	1600341319	XWIARGKXURKOHM-DJIHRAIXSA-N	318.329	1.262	50	20	DDGD	
COC(=O)c1sccc1C(=O)NNc1cccc(C(=O)O)c1	1606643913	QCAPZOSHLMZXMY-UHFFFAOYSA-N	320.326	1.990	50	20	DDGD	
CC(=NNC(=O)c1ccncc1)c1ccc(OCC(=O)O)cc1	1602990876	MYYRUAZLZPYLGT-UHFFFAOYSA-N	313.313	1.699	50	20	DDGD	
Cc1c(NNC(=O)c2cnc3n2CCOC3)cccc1C(=O)O	1600054951	KLJZPAVWQHGWKP-UHFFFAOYSA-N	316.317	1.177	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1F)NC1CC(C(=O)O)C1	1601553944	ASMMWPOGQJDGLN-UHFFFAOYSA-N	303.240	1.593	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)c1cc(C(=O)O)on1	1606180637	FCUAIJNCRBPICA-UHFFFAOYSA-N	319.273	1.286	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1ccc(-c2nn[nH]n2)o1	1609559522	MQKXUMMSNJZIMI-UHFFFAOYSA-N	305.685	1.265	50	20	DDGD	
Cc1c(NC(=O)C(=O)NNc2ccccn2)cccc1C(=O)O	1607536943	RXJMNUPTKFTWJH-UHFFFAOYSA-N	314.301	1.170	50	20	DDGD	
Cc1ccc(NNC(=O)c2cscc2-c2nn[nH]n2)cc1	1605875684	VYFCKVHQMCCJHH-UHFFFAOYSA-N	300.347	1.994	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1ccc(-n2ccnc2)nn1	1610700183	MRXHUGFECRKNQS-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
Cn1cc([C@H]2OCCC[C@@H]2C=NNC(=O)c2ccncc2)cn1	1552448612	VJVSHHCYBXXDCI-HIFRSBDPSA-N	313.361	1.699	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)COC2CNC2)C1	1575263291	XUBLVWWVXXIGKQ-LBPRGKRZSA-N	314.502	1.598	50	20	DDGD	
CC(C)[C@H](C(=O)O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	1588808331	XAQWOURYZNDLNJ-RQYMUSGFSA-N	322.405	1.707	50	20	DDGD	
CC(=NNC(=O)[C@]1(C)CCCO1)c1cccc(-c2nn[nH]n2)c1	1588773336	XACNZIKICRSKPE-HNNXBMFYSA-N	314.349	1.276	50	20	DDGD	
CC(=NNC(=O)c1ccccc1O)c1ccccc1-c1nn[nH]n1	1588776522	QIJGTHXWZPLHJG-UHFFFAOYSA-N	322.328	1.726	50	20	DDGD	
CC(C)(CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc[nH]n1	1847436293	QBZSDHAQNGEYGQ-RYUDHWBXSA-N	324.812	1.490	50	20	DDGD	
CC(C)OCCCNC(=O)/C(C#N)=C/c1cc(C(=O)O)co1	1591722727	LREQGYHQQLZTEW-IZZDOVSWSA-N	306.318	1.816	50	20	DDGD	
N#C/C(=C/c1cc(-c2nn[nH]n2)cs1)C(=O)[C@@H]1CCCOC1	1592662427	FGOXYNPKIIHNRL-BABIGQSTSA-N	315.358	1.831	50	20	DDGD	
Cc1cc(=NC[C@@]2(C)C[C@@H]2Br)c(-c2nn[nH]n2)c[nH]1	1592041343	FGKCGWIEMDNJDL-CMPLNLGQSA-N	323.198	1.577	50	20	DDGD	
COc1ccc(CC(C)=NNC(=O)NCC(=O)O)cc1OC	1599550270	MBELGLHKRMPLIK-UHFFFAOYSA-N	309.322	1.006	50	20	DDGD	
CC(C)n1ncc(C(=O)NNc2ccc(CC(=O)O)cc2)c1N	1592153899	WPOSHAATLUBJAP-UHFFFAOYSA-N	317.349	1.430	50	20	DDGD	
CC1=C(C(=O)NNc2ccc(C)c(C(=O)O)c2)C(=O)OC1(C)C	1594093722	LTEIBQZYRMHQNQ-UHFFFAOYSA-N	318.329	1.788	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2ccc(CC(=O)O)cc2)CCCO1	1594019563	IZDUAVVLJUGZSA-HNNXBMFYSA-N	307.350	1.509	50	20	DDGD	
O=C(NCCC1(F)CCC1)NNc1ccc(-c2nn[nH]n2)cn1	1593059161	PLRIMOSMGYATIV-UHFFFAOYSA-N	320.332	1.170	50	20	DDGD	
Cn1cc(Br)cc1C(=O)NNC(=O)C1CCCC1	16269716	HUUWRUWYPJSPKL-UHFFFAOYSA-N	314.183	1.739	50	20	DDGD	
CN1CC[C@H](NC(=O)NNc2ccccc2C(F)(F)F)C1=O	163807710	OVGUZLWNKUSGSA-JTQLQIEISA-N	316.283	1.562	50	20	DDGD	
CCc1ccc(-c2cc(C(=O)NNC(=O)CCOC)[nH]n2)cc1	152358444	NMAAPJVBCHZGMH-UHFFFAOYSA-N	316.361	1.437	50	20	DDGD	
O=C(NNC(=O)c1cnc(C(F)(F)F)nc1)c1ccccc1	153498692	ZHOKGVWFIRMHTO-UHFFFAOYSA-N	310.235	1.570	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1cccc(-c2ncn[nH]2)c1	155273514	VGGPTXHERFSPNO-UHFFFAOYSA-N	313.361	1.813	50	20	DDGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cn(C)c(=O)n(C)c2=O)cc1	154740204	YLRHSJNPTUYNOZ-MDWZMJQESA-N	309.325	1.182	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(C(=O)NC2CC2)cc1	159509927	WQLAHKCCQQZUFH-UHFFFAOYSA-N	303.362	1.386	50	20	DDGD	
CC(C)N1CC[C@H](N(C)NC(=O)OCc2ccccc2)C1=O	859388657	XJNMQBWACHTCGH-AWEZNQCLSA-N	305.378	1.769	50	20	DDGD	
Cc1cc(C(=O)N(C)NC(=O)OCc2ccccc2)nn1C	862287507	ULUAZHGPDSXFMT-UHFFFAOYSA-N	302.334	1.642	50	20	DDGD	
CN(CCNC(=O)NNC(=O)c1ccccc1)C1CCCC1	104779551	PERVTBLDTNVINN-UHFFFAOYSA-N	304.394	1.505	50	20	DDGD	
NC(=O)COc1ccc(C(=O)NNc2ccccc2Cl)cc1	107359519	LJTWICQYSKNZEI-UHFFFAOYSA-N	319.748	1.961	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2ccccn2)cc1F	102208911	WENZIUDEUTYBRW-UHFFFAOYSA-N	320.349	1.861	50	20	DDGD	
Cc1nc(CC(=O)NNC(=O)CCOc2ccccc2)cs1	58192092	UYXSSIAFWIKJPT-UHFFFAOYSA-N	319.386	1.611	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1ccccc1O	57156284	GNCUEYXTRHAJQX-UHFFFAOYSA-N	314.341	1.795	50	20	DDGD	
O=C(NNC(=O)c1noc2c1CCCC2)c1ccccc1F	56075322	NTETZPGXYQVTFC-UHFFFAOYSA-N	303.293	1.767	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cccs1)Cc1cccc(F)c1	102684740	IRFDHBGIFVBWCN-UHFFFAOYSA-N	321.377	1.780	50	20	DDGD	
Cc1oc(C(=O)O)cc1S(=O)(=O)NCC(Cl)Cl	310097320	VYFUGLQFNWLWAQ-UHFFFAOYSA-N	302.135	1.368	50	20	DDGD	
CC(=O)c1cccc(NC(=O)NNC(=O)c2cccn2C)c1	170701883	GEHOYTGSMFCLQZ-UHFFFAOYSA-N	300.318	1.694	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](C)c1cn(C)nc1C	69257596	HRARHCZZSXBFRL-NSHDSACASA-N	315.377	1.742	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(F)c(NC(C)=O)c1	64424946	ZCXSYAOJYNGBGO-UHFFFAOYSA-N	310.329	1.528	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1cccc2cccnc12	65177247	KHTFMIYKWHMWRJ-UHFFFAOYSA-N	310.313	1.972	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NNC(=O)C[C@@H]2C=CCC2)c1	27146525	DSHJARRMTYMPCP-LLVKDONJSA-N	322.386	1.207	50	20	DDGD	
Cc1nc(CC(=O)NNc2ccc(C(F)(F)F)nn2)cs1	123857240	QKBORUFWJSABFD-UHFFFAOYSA-N	317.296	1.946	50	20	DDGD	
Cc1cncc(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)c1	175064888	JIVWCFPJVAOIRA-UHFFFAOYSA-N	321.340	1.855	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1	174898337	NECNMHGMBTUPLH-SNVBAGLBSA-N	312.414	1.152	50	20	DDGD	
O=C(/C=C/c1ccco1)NNC(=O)CSc1ccccc1O	125726879	YIOMIZGHQCEQNJ-BQYQJAHWSA-N	318.354	1.938	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CSC(F)(F)F)cc1	61463652	FNTSPFSEVVUZDQ-UHFFFAOYSA-N	303.265	1.572	50	20	DDGD	
COC(C)(C)CNC(=O)NNC(=O)c1cccc(N(C)C)c1	75312420	MWFQXIVRIQISLH-UHFFFAOYSA-N	308.382	1.122	50	20	DDGD	
Cc1nn(CCC#N)c(C)c1CCC(=O)NNC(=O)C(C)(C)C	77220202	LDMSZIRJFQRXIZ-UHFFFAOYSA-N	319.409	1.540	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)COCc2ccccc2)no1	120982799	BYYYQYDXAHNEQD-UHFFFAOYSA-N	304.306	1.353	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)c1ccccc1F	32063348	AKQAALJRNINTNZ-UHFFFAOYSA-N	312.304	1.477	50	20	DDGD	
CN(NC(=O)C(C)(C)c1ccc(Br)cc1)C(N)=O	181056571	FSAZFSCQFAEBDE-UHFFFAOYSA-N	314.183	1.768	50	20	DDGD	
CCc1ccc(S(C)(=O)=O)cc1C(=O)NNc1cnccn1	120691500	WEBLRZWBPLCEQX-UHFFFAOYSA-N	320.374	1.199	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCc1nc2c(s1)CCCC2	127919173	AQUODLAHYVWENB-UHFFFAOYSA-N	324.450	1.941	50	20	DDGD	
O=S(=O)(CBr)N(Cc1ccccn1)C1CC1	127145203	CVTZYJXKHIFJCY-UHFFFAOYSA-N	305.197	1.728	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)C[S@@](C)=O)cc1	181675952	QKYPWPUVNPXVHX-UOKUBMDMSA-N	320.414	1.875	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2nnc(C3CC3)s2)cc1	184500385	VWMAAYXXZQMZNO-UHFFFAOYSA-N	318.358	1.959	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccn(CCC#N)n2)o1	185761057	WMFVXCWLZJVQNB-UHFFFAOYSA-N	302.294	1.165	50	20	DDGD	
Cc1nc(CC(=O)NNC(=O)CNc2ccccc2)c(C)s1	134394411	CHZZIJIGRCAZQW-UHFFFAOYSA-N	318.402	1.562	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)C(=O)Nc2cnccc2C)c1	190463769	SAJLEUZBDFHIFN-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
CSc1ncc(Cl)c(C(=O)NNC(=O)c2ccc[nH]2)n1	192565780	ASROBHNZEOACQJ-UHFFFAOYSA-N	311.754	1.255	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)c2c[nH]c3ccccc23)cn1	80002986	DTFVQFOQKSAUQQ-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)Nc1cccc(F)n1	134279688	NGDVMCKDFWGFPP-UHFFFAOYSA-N	306.272	1.755	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2cnc(O)c([N+](=O)[O-])c2)c1	193703381	RTQDPZPGDATSMW-UHFFFAOYSA-N	306.253	1.900	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCOc2ccc(F)cc2)o1	84292411	USDIZGLJQLQFBJ-UHFFFAOYSA-N	306.293	1.957	50	20	DDGD	
CCc1nc(NC(=O)C(=O)NNC(=O)C(C)(C)C)sc1C	193255476	MMYZHJLWEBPMBX-UHFFFAOYSA-N	312.395	1.146	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)C1C[C@@H]2CCC[C@H](C1)C2=O	191920968	AOCSIJAHBGWCSS-FOSCPWQOSA-N	313.361	1.568	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C[C@H]1CCCOC1	195010127	CMDXFRDZJAXPLS-VXGBXAGGSA-N	324.352	1.557	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@@H]2CSCCS2)c1	93296461	VWHBOXUUVDCUQP-QMMMGPOBSA-N	314.823	1.898	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(N)=C(C#N)C#N)c(-c2cccnc2)n1	141366565	PEAJWUIIUHFMEO-XGICHPGQSA-N	301.313	1.649	50	20	DDGD	
CC(=O)Nc1cccc(NC(=O)NNc2cnccn2)c1C	92226290	LGGQXQIWKGKFOG-UHFFFAOYSA-N	300.322	1.892	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2c(CO)cnc(C)c2O)cc1	254406166	CLGBVQWRRPVQPL-UHFFFAOYSA-N	315.329	1.360	50	20	DDGD	
Cc1cc(NNC(=O)CN2Cc3ccccc3C2=O)nc(C)n1	265536091	MDOLZAREQPWETM-UHFFFAOYSA-N	311.345	1.193	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cccc(Oc2cnccn2)c1	265484773	ATPLWPCXSNXHHC-UHFFFAOYSA-N	312.329	1.830	50	20	DDGD	
C[C@H]1CCC[C@H]1NC(=O)NNC(=O)COc1ccccc1F	264416911	NAKGBHRHCVJWAE-CMPLNLGQSA-N	309.341	1.724	50	20	DDGD	
Cc1n[nH]c(C)c1CCC(=O)NNC(=O)Cc1ccccc1F	264501900	MVCDIQJCCKQQSS-UHFFFAOYSA-N	318.352	1.488	50	20	DDGD	
COc1ccc(NNC(=O)C[C@@H]2CCCC(=O)N2)c([N+](=O)[O-])c1	367703930	NTXLQGYLZNLLNL-VIFPVBQESA-N	322.321	1.105	50	20	DDGD	
C[C@H](CC(N)=O)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	367393979	JHWHZBHOQIDKRK-SSDOTTSWSA-N	323.740	1.345	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNc1nnc(-c2ccccn2)s1	276487256	RUBQFFAQYNSJEN-MRVPVSSYSA-N	321.362	1.242	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H]2CCCCS2)c1	272948174	JSVICACCKRTPFS-ZDUSSCGKSA-N	308.403	1.807	50	20	DDGD	
COC[C@H](NC(=O)NNc1ccc(Cl)nc1)[C@@H]1CCCO1	279794241	VYTCEJMPNWGDRN-QWRGUYRKSA-N	314.773	1.555	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(OC)c(C2CC2)c1	278455859	RLPOFXIQYRRURR-UHFFFAOYSA-N	305.403	1.868	50	20	DDGD	
Cc1ccccc1OCCNS(=O)(=O)CBr	272835484	RUEHEDDFYXODQO-UHFFFAOYSA-N	308.197	1.646	50	20	DDGD	
COc1ccc2c(c1)OCC[C@@H]2NC(=O)NNc1ncccn1	363557525	KLWHIFJAQTYHGX-LBPRGKRZSA-N	315.333	1.635	50	20	DDGD	
CC(C)(C)c1nsc(NC(=O)NNC(=O)c2ccncc2)n1	273372572	GJPCJCSGXOIPPV-UHFFFAOYSA-N	320.378	1.697	50	20	DDGD	
C[C@@H](NC(=O)CC(C)(C)C)C(=O)NNC(=O)c1ccccc1F	275118153	OTAZXHIGAMJKEB-SNVBAGLBSA-N	323.368	1.528	50	20	DDGD	
COCCOc1cc(C(=O)NNC(=O)c2ccc(C)o2)ccn1	271933364	AYALCTNTCHPRGL-UHFFFAOYSA-N	319.317	1.083	50	20	DDGD	
O=C(NNc1nccnc1Cl)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2	371676483	XBNBLZKELUWBRQ-OAAXVMEWSA-N	322.796	1.904	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NNc1nc(O)c2ccccc2n1	281338626	BIEHGWVCNVQSBJ-NXEZZACHSA-N	314.345	1.784	50	20	DDGD	
CSSCCNC(=O)CCOc1ccc(C(N)=O)cc1	283943517	FUOKFEJBPTWRDD-UHFFFAOYSA-N	314.432	1.682	50	20	DDGD	
CCOC1(C(=O)NNC(=O)c2ccc(Cl)nc2)CCCC1	284933452	ATHGEXGGJLGRQW-UHFFFAOYSA-N	311.769	1.845	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)[C@@H]1COCCN1C1CCCC1	281254216	QJKPFUYFCKYVNQ-ZDUSSCGKSA-N	324.812	1.822	50	20	DDGD	
CC(C)(C)[S@](=O)CCNC(=O)NNc1cccc(F)n1	286770613	QKGFRVGOWVLZJA-HXUWFJFHSA-N	302.375	1.394	50	20	DDGD	
CC(C)ONC(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	297059285	VVDQWZIOZQPRRA-VIFPVBQESA-N	315.757	1.778	50	20	DDGD	
C=CCC(C)(C)CNC(=O)NNC(=O)COc1ccccc1O	292664046	CXNFMSQRACOWPS-UHFFFAOYSA-N	321.377	1.704	50	20	DDGD	
O=S(=O)(CBr)NCc1nccc(C(F)F)n1	805150235	JVQAWKDBGIRCJY-UHFFFAOYSA-N	316.127	1.186	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cc(N(C)C)c2ccccc2n1	294857738	ZTTKBSFJNOQMDQ-UHFFFAOYSA-N	315.377	1.653	50	20	DDGD	
O=C(NCC1(c2cccc(F)c2)CC1)NNc1ccncn1	296277613	DOLRSBDVWPZFMY-UHFFFAOYSA-N	301.325	1.974	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1ccc2c(c1)NC(=O)CO2	808247315	WFTXFFVUTONZAY-UHFFFAOYSA-N	303.145	1.893	50	20	DDGD	
CCn1cc(CC(=O)NNC(=O)NC2CC2)c2ccccc21	299509818	SUPAEHGLAHPLMR-UHFFFAOYSA-N	300.362	1.697	50	20	DDGD	
Cn1nc(NC(=O)NNC(=O)c2ccccc2O)cc1C1CC1	290614145	PVNWTUSBPGODQJ-UHFFFAOYSA-N	315.333	1.470	50	20	DDGD	
O=C(CCc1ccc2[nH]ccc2c1)NNC(=O)N=c1cc[nH]cc1	802029952	XBBTUJJSHOYCGD-UHFFFAOYSA-N	323.356	1.770	50	20	DDGD	
CSSCCNC(=O)N1CCC[C@@H](C2OCCO2)C1	807229581	BYMNJQSXPBXWTJ-SNVBAGLBSA-N	306.453	1.792	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)Nc2ccc(N(C)C)cc2)n[nH]1	802121375	AOBVXOVZKSCSAF-UHFFFAOYSA-N	316.365	1.180	50	20	DDGD	
CN(NC(=O)C1CCN(c2cnccn2)CC1)c1ccccc1	298364119	ZLKRNBVNTDEMPP-UHFFFAOYSA-N	311.389	1.861	50	20	DDGD	
N#C/C(=C\c1cnn(CC(F)F)c1)S(=O)(=O)NC1CC1	292391077	VTOCLTSFZXORSI-XCVCLJGOSA-N	302.306	1.094	50	20	DDGD	
CSC1(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)CCC1	802097332	RNVQQGZWLZDRPZ-UHFFFAOYSA-N	323.374	1.854	50	20	DDGD	
O=C(NNc1ncncc1F)N[C@@H]1CCCC12CCOCC2	293225344	CLJVMPOWDAUNDA-LLVKDONJSA-N	309.345	1.591	50	20	DDGD	
CCOCCNC(=O)NNC(=O)c1ccc(Cl)cc1OC	298643285	CSJMHNKWXUHNRN-UHFFFAOYSA-N	315.757	1.329	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)c2ccnc(N(C)C)c2)[C@H]1SC	807972591	NKUQQPJMZCXWIS-TZMCWYRMSA-N	322.434	1.774	50	20	DDGD	
CC[C@@H]1C[C@@H](CC(=O)NNC(=O)N=c2cc[nH]cc2)CCO1	802031184	DMFCPGGHOYDVBR-WCQYABFASA-N	306.366	1.252	50	20	DDGD	
O=C(NCc1cccc(Cl)c1)NNC(=O)[C@@H]1CCCCO1	296287514	UVSPPILRPITQMH-LBPRGKRZSA-N	311.769	1.740	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2ccc3c(=O)[nH]ccc3c2)CCC1=O	803429658	IKARPSMIVBBTQK-JQWIXIFHSA-N	313.357	1.977	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C1(O)CCSCC1	805379700	MRVCFASCWDOHEF-UHFFFAOYSA-N	311.363	1.604	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2cc(Cl)c(F)cc2O)CC1	814912808	BDUHJIVXMWJWDQ-UHFFFAOYSA-N	314.748	1.476	50	20	DDGD	
N#CSCCCNC(=O)Cn1cccc(C(F)(F)F)c1=O	816539161	UMSONNUWBYKQAF-UHFFFAOYSA-N	319.308	1.588	50	20	DDGD	
Cc1ncccc1NC(=O)C(=O)NNc1cccc(Cl)n1	815728741	RHXOGKWYQWVFCA-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
CC(C)(C(=O)NNc1cccnn1)c1ccccc1[N+](=O)[O-]	816068375	RNVJKEPPZCUNIN-UHFFFAOYSA-N	301.306	1.806	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CCCCc2ccc(N)cc21	817322661	HAKUOYPBDDCZPZ-UHFFFAOYSA-N	302.378	1.340	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1nc(-c2ccccc2)no1)[C@H](C)N	817933932	XSIULYRVORHFDF-JQWIXIFHSA-N	303.366	1.799	50	20	DDGD	
CC(C)OC1CC(=NNC(=O)[C@@H]2COc3ccccc3O2)C1	814701299	ULMIEDAABFHBKM-CVRLYYSRSA-N	304.346	1.886	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H]1CCO[C@H](C)C1	819710271	DPHGOBAMWNUBKH-NXEZZACHSA-N	310.325	1.871	50	20	DDGD	
O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCC(Cl)Cl	816604230	CDHNGLMLDAJNQK-IUCAKERBSA-N	321.204	1.472	50	20	DDGD	
N#Cc1cccc(NNC(=O)C(=O)Nc2sccc2C#N)c1	815574654	YOKHHEBKJFXSBX-UHFFFAOYSA-N	311.326	1.573	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCCC[C@@H]1C	819933702	APOIPDRNWJGMAW-RYUDHWBXSA-N	300.399	1.749	50	20	DDGD	
O=C(NNc1cccc(Cl)c1)[C@@H]1CCCS(=O)(=O)C1	816844774	OLWDFJGFLXJBHZ-SECBINFHSA-N	302.783	1.608	50	20	DDGD	
COc1ccccc1-n1nccc1C=NNC(=O)Cc1cc[nH]n1	814954392	FBZGIIARAUURAK-UHFFFAOYSA-N	324.344	1.297	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)CCc2cncnc2)o1	814669479	RAVSXSVESZAHBH-UHFFFAOYSA-N	300.322	1.536	50	20	DDGD	
COc1cc(F)c(F)cc1NC(=O)NNC(=O)c1cnccn1	810271471	TYTRZAYRIJREQZ-UHFFFAOYSA-N	323.259	1.230	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)n1	726524170	CYDCAYQSNDQKFP-UHFFFAOYSA-N	319.325	1.077	50	20	DDGD	
Cn1ncc(C=NNC(=O)CCSc2ccc(F)cc2)c1N	814754485	ULOOJBVLAXHEOK-UHFFFAOYSA-N	321.381	1.774	50	20	DDGD	
CN1C[C@H](N(C)C(=O)[C@H](Br)C(C)(C)C)CCC1=O	820395932	HEHQFMXRPWDZFY-KOLCDFICSA-N	319.243	1.875	50	20	DDGD	
CC(=NNC(=O)Cc1ccccn1)c1ccc(CC(=O)O)cc1	729148321	UIYNXLXFNZJQSX-UHFFFAOYSA-N	311.341	1.792	50	20	DDGD	
CN(NC(=S)NCCc1cccnc1)C(=O)OC(C)(C)C	491098548	QEJYDSPDQVLIOO-UHFFFAOYSA-N	310.423	1.870	50	20	DDGD	
COC(=O)C1(C)CN(C(=O)/C(C#N)=C/c2ccc(O)cc2)C1	491101360	DRAKOOVXGAHOIU-KPKJPENVSA-N	300.314	1.321	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(C(=O)OCC)c(C)[nH]1	822777570	KFZQCNFHWVRXJS-UHFFFAOYSA-N	310.354	1.244	50	20	DDGD	
C=CCNC(=S)NNC(=O)/C=C\c1ccc(OC)c(O)c1	492347121	WYAHLGINODIRHJ-ALCCZGGFSA-N	307.375	1.095	50	20	DDGD	
C#C[C@H](CC)NC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	491418706	RSGWEOIXTGFEAJ-CYBMUJFWSA-N	311.345	1.228	50	20	DDGD	
CCCCOc1cc(OC)ccc1C(=O)NN(CC)CCO	823873367	AFNCXBSTLITPIM-UHFFFAOYSA-N	310.394	1.833	50	20	DDGD	
CC(C)C(=O)NNC(=O)CNC(C)(C)c1ccc(F)c(F)c1	828698256	DRAPAODOGTVIMX-UHFFFAOYSA-N	313.348	1.593	50	20	DDGD	
Cc1nc(CC(=O)NNc2ccc(-c3nn[nH]n3)cc2)cs1	826325340	UQPDLGDJUCVODX-UHFFFAOYSA-N	315.362	1.317	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cnn2cccc(Cl)c12	823804176	LQRIOKAWUHIQAC-UHFFFAOYSA-N	307.741	1.342	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)[C@H]1[C@@H]2CCC(=O)[C@@H]12	907450535	WYSBAKGTLMOETG-GGVZMXCHSA-N	310.151	1.512	50	20	DDGD	
CCC(CC)Oc1ccc(C(=O)NNC(=O)CN(C)C)cc1	825703177	LTGXGEPTESLBKH-UHFFFAOYSA-N	307.394	1.577	50	20	DDGD	
COC(=O)[C@@H]1CCc2sc(NC(=O)NN(C)C3CC3)nc2C1	824380081	JDJDXZMRSPGTRC-MRVPVSSYSA-N	324.406	1.552	50	20	DDGD	
C[C@H](CNCc1ccc(B(O)O)o1)Oc1cccc(Cl)c1	585026425	GXTFVGGGLJNZIU-SNVBAGLBSA-N	309.558	1.170	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NC2CC=CC2)cc(-c2nn[nH]n2)n1C	822028654	RJVCNLMNUKAXTE-GHXNOFRVSA-N	323.360	1.255	50	20	DDGD	
COC(=O)N(C)CC(=O)NNC(=O)c1cccc2ccccc12	491898260	KXQWNDAQOHEVSH-UHFFFAOYSA-N	315.329	1.299	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1CCCc2sccc2C1	584942471	AEJGKZQXAJMERJ-UHFFFAOYSA-N	319.166	1.156	50	20	DDGD	
O=C(O)[C@@H]1COCCN1Cc1ccc(OCCCCl)cc1	901986738	XXSVUVRQLSJWLR-AWEZNQCLSA-N	313.781	1.980	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](C)c1ccccc1OC(C)C	731280740	CNCMKQNIWJVCMV-GFCCVEGCSA-N	323.393	1.902	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc2c(cc1F)CCC(=O)N2	494553500	FPHCDQGYRXBBSV-UHFFFAOYSA-N	310.285	1.493	50	20	DDGD	
C[C@@H]1CCC[C@H](O[C@H](C)C(=O)Nc2cccc(B(O)O)c2)C1	584910511	CCEJXGJCBNEJRG-JMSVASOKSA-N	305.183	1.289	50	20	DDGD	
CCn1cc(C=NNC(=O)[C@@H](C)Oc2ccc(F)cc2)nn1	901149175	HHZMZGBDIIODIH-SNVBAGLBSA-N	305.313	1.355	50	20	DDGD	
CN(C)CCn1nccc1C(=O)NNc1cc(Cl)ccn1	901350227	QRNONDDFUYSCII-UHFFFAOYSA-N	308.773	1.250	50	20	DDGD	
CN(C)CCNC(=S)NNC(=O)C(C)(C)c1ccccc1	731160702	ALTZHTGOLGAKOA-UHFFFAOYSA-N	308.451	1.021	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)[C@@H](C)NC(=O)OC(C)(C)C	497297035	XCHSMSCRLUZINF-SNVBAGLBSA-N	323.397	1.666	50	20	DDGD	
CN(CC(=O)NNc1ccc(F)cc1Br)C(=O)O	833692139	MDOVFHXIDNCBGB-UHFFFAOYSA-N	320.118	1.641	50	20	DDGD	
COc1ccccc1CONC(=O)NNC(=O)[C@@H]1CCCCO1	836443248	MLXNGXGUCOKABC-ZDUSSCGKSA-N	323.349	1.026	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2CC(C)(C)C[C@@H]2C)n1	839660260	KKYSMNJKHTXMQQ-NSHDSACASA-N	324.450	1.262	50	20	DDGD	
Cc1nc(CCC(=O)NNC(=O)CNc2ccccc2)cs1	733358490	WTYTVEJAUGINTK-UHFFFAOYSA-N	318.402	1.644	50	20	DDGD	
COCCOCC(=O)NN=Cc1cc(C(=O)O)c(Cl)s1	901271495	LQGVNTIEIUQUCI-UHFFFAOYSA-N	320.754	1.213	50	20	DDGD	
CCC(=O)N1CC[C@H](NC(=O)[C@]2(C)C[C@H]2Br)C1	907016682	AEJNXHDNICWBEE-YGOYTEALSA-N	303.200	1.287	50	20	DDGD	
O=C(NNc1cnccn1)c1cccc(Nc2ncccn2)c1	734244664	VPFLTDWPNRLALL-UHFFFAOYSA-N	307.317	1.767	50	20	DDGD	
Cc1sc2nc(CC(=O)NN=C3CCOC3)nc(O)c2c1C	731923631	ABXRIRRDTUNMFQ-UHFFFAOYSA-N	320.374	1.449	50	20	DDGD	
C=C(CI)n1cc(C[C@@](C)(O)CC)nn1	900641387	RGWPKWAZKXQJHF-JTQLQIEISA-N	321.162	1.887	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1	731852660	HPLSSMXJDYJIOC-BDAKNGLRSA-N	318.299	1.848	50	20	DDGD	
C[C@H]1C[C@H](CCNCc2ccc(B(O)O)cc2F)C[C@@H](C)O1	585043127	YCTQICHKLFDNLI-CLLJXQQHSA-N	309.190	1.189	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCN(C)C2CC2)c1F	838467717	GXKKAHCOQWXNHF-UHFFFAOYSA-N	324.356	1.333	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)[C@@H]1CCCCO1	833246231	GFXUNIFVCFHZFT-SUHUHFCYSA-N	324.327	1.785	50	20	DDGD	
COc1ccc(C=NNC(=O)CCC(C)C)cc1-c1nn[nH]n1	737080615	DXBBIQQTTMGMDI-UHFFFAOYSA-N	316.365	1.762	50	20	DDGD	
Cc1ccc2c(c1)[C@@H](NC(=O)NNC(=O)[C@@H]1CCCCO1)CO2	836361100	KKVJCBQCUZGLOR-JSGCOSHPSA-N	319.361	1.328	50	20	DDGD	
CC[C@H]1CCC[C@H]1C(=O)NNc1ccc(-n2ccnc2)nn1	830423476	SHRFCOYADCVNPB-NWDGAFQWSA-N	300.366	1.932	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cc(Cl)nc2ccccc12	733359495	QLODUYZVDGMSIK-UHFFFAOYSA-N	306.753	1.211	50	20	DDGD	
Cc1cc(C(=O)NNc2cccnn2)ccc1N1CCNC1=O	736695026	OTOCFLTZRHPUSM-UHFFFAOYSA-N	312.333	1.072	50	20	DDGD	
O=C(O)Cc1csc(NC(=O)NNc2ccc(F)cn2)n1	738634350	TZQNVSWLKNFMMX-UHFFFAOYSA-N	311.298	1.453	50	20	DDGD	
C=CC(C)(C)CNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	838664173	BJCBBONHIXOOCG-UHFFFAOYSA-N	306.322	1.751	50	20	DDGD	
O=C(NN=C1CCCS(=O)(=O)C1)c1c[nH]c2ccccc12	731923269	CCLVKWSVNCIIDG-UHFFFAOYSA-N	305.359	1.462	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccncn1)c1ccc(N(C)C)cc1	836406086	PYBCNKFNZABZRP-LLVKDONJSA-N	300.366	1.930	50	20	DDGD	
CC(=O)NCCN(Cc1ccsc1)S(=O)(=O)CCl	831403893	HWICRXVEAKNFQL-UHFFFAOYSA-N	310.828	1.212	50	20	DDGD	
C=CCN1C(=O)C(=NNC(=O)C[n+]2ccccc2)c2ccccc21	916271316	PMTLRGNIQKXJMM-UHFFFAOYSA-O	321.360	1.027	50	20	DDGD	
CNC(=O)CCCC(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	836823272	QZXYADBJMNUBTA-UHFFFAOYSA-N	314.729	1.608	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCc1cccc(OC(F)F)c1	910146261	HIHYNRPVQJREFS-JTQLQIEISA-N	302.321	1.564	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccccc1CSc1nc[nH]n1	910166604	BUVLZRWHGFSIPU-SNVBAGLBSA-N	321.406	1.054	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H](C)CCc1ccccc1F	843651833	FYZJFDSMYWRIFI-DYEKYZERSA-N	322.380	1.967	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1cccc(Cl)c1	916363863	ZYELUBWVJFMYDW-GFCCVEGCSA-N	309.797	1.758	50	20	DDGD	
CC(C)[C@H](N)CNC(=O)NNC(=O)Cc1c[nH]c2ccccc12	841943669	MULPBLDBCCEKCM-CYBMUJFWSA-N	317.393	1.024	50	20	DDGD	
O=C(NNC(=O)N1CCC2(CCCCC2)CC1)c1ncccn1	841594753	ZWTQFJRFAOTXOO-UHFFFAOYSA-N	317.393	1.877	50	20	DDGD	
CC(=NNC(=O)Cc1cccnc1)c1ccc([S@@](C)=O)cc1	746370706	OSPQWIFSUVEOFX-JOCHJYFZSA-N	315.398	1.902	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=Cc2ccsc2)C[C@@H](C)O1	916371835	MNBYQHKZRBCSFU-RWMBFGLXSA-N	309.435	1.944	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	843649437	VHSDQWGDAYJPOJ-SCRDCRAPSA-N	306.362	1.335	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCO[C@@H](c2ccccc2)O1)C1CCC1	847482195	RJHFVFYMCGTBFJ-XJKSGUPXSA-N	304.346	1.438	50	20	DDGD	
COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NN(C)C[C@H](C)O)c1	910154161	WPKRDOOFRFGWNA-VHRBIJSZSA-N	308.378	1.151	50	20	DDGD	
CCc1nc(C(C)C)ccc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843661532	OPWIZONSVGSESC-RYUDHWBXSA-N	319.405	1.953	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1c(F)cccc1F	843657724	CYWNUTDNEQGKMU-LPEHRKFASA-N	312.316	1.641	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc2ccccc2n1	748253387	NCDHWKRKKHERRL-LBPRGKRZSA-N	301.346	1.736	50	20	DDGD	
CC(C)(C)OC(=O)c1ccc(C(=O)NNC(=O)C2CC2)cn1	845077728	XDGJIGMTYDDCOV-UHFFFAOYSA-N	305.334	1.208	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1cccc([N+](=O)[O-])c1C)C(C)C	748670927	RMHQRIAGQPAHPW-CYBMUJFWSA-N	308.338	1.507	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(-n2cccn2)cc1	748259838	XXEGCEOPSLOUPV-CYBMUJFWSA-N	316.361	1.374	50	20	DDGD	
N[C@@H]1CCC[C@H](NC(=O)NNC(=O)c2cc3ccccc3o2)C1	841982745	IJXRJHKEGQSFJD-NEPJUHHUSA-N	316.361	1.647	50	20	DDGD	
CC[C@@H](N)CNC(=O)NNc1ccc(F)cc1Br	842004501	FNCBVTJYFVSKHJ-MRVPVSSYSA-N	319.178	1.952	50	20	DDGD	
CCC[C@H](O)C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	929290921	HITJOLUYWJQJMH-STQMWFEESA-N	308.378	1.379	50	20	DDGD	
CCOc1cc2c(cc1NC(=O)NNC(=O)CC)O[C@@H](C)C2	755575057	WVCKJFWIHRJVTO-VIFPVBQESA-N	307.350	1.971	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1cnn(CC(F)F)c1	756707378	YJPJNPUDCDLTFW-UHFFFAOYSA-N	315.202	1.253	50	20	DDGD	
CNC(=S)N(C)NC(=O)C1(c2ccc(C)cc2)CCOCC1	854923921	MZWBMWNFPLYLOR-UHFFFAOYSA-N	321.446	1.511	50	20	DDGD	
C[C@H]1CC/C(=C/C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)C1	855831775	GWDONJYEZYSCNT-KLDSGFLGSA-N	323.437	1.823	50	20	DDGD	
CCOc1ccc(C(CC)=NNC(=O)C(N)=O)cc1OCC	920825232	GEQIFPLJTKPLQJ-UHFFFAOYSA-N	307.350	1.200	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)N[C@H]1CCO[C@H](C2CC2)C1	852256022	OHJJWBPPXBURJY-JQWIXIFHSA-N	322.340	1.122	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H]2CCN(C)c3ccccc32)n1	750719730	GTGJGMSPPZXELS-LBPRGKRZSA-N	313.361	1.552	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)ncn1	857127362	PXEUWANMWDRRER-XYPYZODXSA-N	321.381	1.531	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(C(F)(F)F)cc1O	854922278	DNCDJIIZYXEBEF-UHFFFAOYSA-N	307.297	1.492	50	20	DDGD	
CCSc1ccc(CC(=O)NNC(=O)Cc2cc[nH]n2)cc1	755289772	JTADNHWPZPMEIQ-UHFFFAOYSA-N	318.402	1.454	50	20	DDGD	
COc1ncncc1NC(=O)NC[C@]1(C)C[C@@H]1Br	856846426	JMTIRAHAJZWMHM-KWQFWETISA-N	315.171	1.780	50	20	DDGD	
C[C@H](O[C@H](C)C(=O)NC[C@@]1(C)C[C@@H]1Br)C(=O)O	856717253	DVKYXYJRWZZKNT-OFHVYEONSA-N	308.172	1.154	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2ccc(Cl)cn2)CN1C1CC1	852195626	IVINOOYZUQHSPG-KOLCDFICSA-N	309.801	1.986	50	20	DDGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NC[C@@]1(C)C[C@H]1Br	857686848	FTYOWIQJBBYVCW-UIMWLRQOSA-N	319.243	1.827	50	20	DDGD	
O=C(NCC1CC1)NN=C1C(=O)Nc2cc(O)c(Cl)cc21	853296012	YZNJPFCGIYTWTD-UHFFFAOYSA-N	308.725	1.411	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2cc([C@H]3CCCO3)[nH]n2)cn1	855108035	SZFOMCLFTLPRJQ-HQIZRNBFSA-N	312.333	1.540	50	20	DDGD	
C[C@H](Oc1cccnc1)C(=O)NNC(=O)OCC(F)(F)F	856023526	MJNJGOVDHFTWHZ-ZETCQYMHSA-N	307.228	1.169	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1C(=O)NNc1cc(C)nc(C)n1	757661630	NCHUZUORBCYICM-UHFFFAOYSA-N	317.305	1.767	50	20	DDGD	
CC1CC(C#N)(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)C1	757627133	KTVCHTNBKSTZHS-UHFFFAOYSA-N	315.329	1.159	50	20	DDGD	
CC(C)C[C@H](CO)NC(=O)NC[C@]1(C)C[C@H]1Br	856894531	UJQJTYNGMWDBMR-FOGDFJRCSA-N	307.232	1.866	50	20	DDGD	
COc1coc(C(=O)NC[C@@]2(C)C[C@@H]2Br)cc1=O	857387529	JLOKYMBUVKYLJY-CMPLNLGQSA-N	316.151	1.552	50	20	DDGD	
C[C@@]1(CCNCc2ccc(B(O)O)cc2)CC1(Cl)Cl	863890460	VRUAKEYETGSCTK-GFCCVEGCSA-N	302.010	1.430	50	20	DDGD	
COC[C@](C)(NC(=O)NNc1nccnc1OC)C(F)(F)F	932330712	LNISMYSRDMUPAJ-JTQLQIEISA-N	323.275	1.079	50	20	DDGD	
CCCCCC[C@@](C)(CC)C(=O)NNC(=O)[C@H]1CCC(=O)N1	862455604	HNTHUSDPKAEFGX-MLGOLLRUSA-N	311.426	1.799	50	20	DDGD	
CC[C@](C)(NC(=O)NNc1nccnc1OC)C(F)(F)F	933516617	QIOYXIDCJFPXCL-JTQLQIEISA-N	307.276	1.842	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCN1CC[C@@H](CS(N)(=O)=O)C1	932947744	CUCMNGILXUIWEE-GFCCVEGCSA-N	322.547	1.619	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C(C)c2ccnn2C)c1	765993880	BGOPWZULFKIPDJ-UHFFFAOYSA-N	302.334	1.591	50	20	DDGD	
CNc1c(C(=O)NN[C@@H](C)C(F)(F)F)cccc1[N+](=O)[O-]	862316868	BLQYEFPOWVTGIT-LURJTMIESA-N	306.244	1.822	50	20	DDGD	
Cc1cccc(NNC(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)c1	761047961	FQCXHLANFXWKGD-UHFFFAOYSA-N	323.356	1.636	50	20	DDGD	
Cc1nnc([C@@H](C)NC(=O)NNC(=O)c2ccccc2O)s1	760142446	QAIZQCKLUYQOER-SSDOTTSWSA-N	321.362	1.257	50	20	DDGD	
CC(C)[C@H]1c2ccccc2CCN1CC(=O)NNC(=O)C1CC1	763704287	MXLDONKXXMDIMB-KRWDZBQOSA-N	315.417	1.799	50	20	DDGD	
Cc1cc2cc(NC(=O)C(=O)NNc3cnccn3)ccc2[nH]1	766259882	FXUQUXNJUPZCPG-UHFFFAOYSA-N	310.317	1.348	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H](c1ccco1)N1CCCC1	864409193	SOPZFEYQHSDHJF-LLVKDONJSA-N	310.354	1.329	50	20	DDGD	
C[C@@H](NC(=O)C1CCCC1)C(=O)NNc1nc2ccccc2[nH]1	768507060	MCSZXNFRDMMMJZ-SNVBAGLBSA-N	315.377	1.701	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cn(CCCC#N)c2ccccc12	767779493	NHSHLHYXJSLCDM-UHFFFAOYSA-N	313.361	1.861	50	20	DDGD	
CC1(C)CC(=NNC(=O)[C@H]2COc3ccccc3O2)CCO1	872327179	JZKMXXHNIVLUBF-CQSZACIVSA-N	304.346	1.888	50	20	DDGD	
CCOc1ccc(OCC)c(NC(=S)NNC(=O)CC#N)c1	874948992	XRJVOGGMJSQCOO-UHFFFAOYSA-N	322.390	1.715	50	20	DDGD	
COCCOCC(=O)NN=Cc1cc(Cl)c2c(c1)OCO2	872402801	DSULMQHYMVEUEL-UHFFFAOYSA-N	314.725	1.182	50	20	DDGD	
COc1cc(C=NNC(=O)Cn2nc(C)cc2C)ccc1C	773019600	SYBZEUOOBRDRFU-UHFFFAOYSA-N	300.362	1.967	50	20	DDGD	
CC(=NNC(=O)c1ccnc(N(C)C)c1)c1cnn(C)c1C	778541308	DTBRVPSEFSCLGK-UHFFFAOYSA-N	300.366	1.344	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1ccc(Cl)cc1F	877933175	HIQGQGMBBPAQGA-UHFFFAOYSA-N	319.720	1.295	50	20	DDGD	
CC(=NNC(=O)c1sc(N)nc1C)c1ccc(C(=O)O)o1	773035621	UCTBWIOVORUPNW-UHFFFAOYSA-N	308.319	1.479	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)c1coc(C)n1	776312859	RKMBYZDPWSERDK-UHFFFAOYSA-N	319.317	1.222	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)[C@H]1CCCN(CC(F)F)C1	870209408	JUJHLMFZDGPQQY-JTQLQIEISA-N	323.347	1.983	50	20	DDGD	
NC(=O)C(=O)NN=Cc1ccc(SCc2ccccc2)cc1	771871365	CYFZSLRKZJRXJY-UHFFFAOYSA-N	313.382	1.914	50	20	DDGD	
Nc1cnnc(NNC(=O)C[C@H]2CSCCS2)c1Cl	1116359228	RUYPFPLTHMNNLE-LURJTMIESA-N	319.843	1.394	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CCCCN(C)C)c1	874950565	SPBOZZZJUGNIDU-UHFFFAOYSA-N	318.446	1.717	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(N2C[C@H](C)O[C@H](C)C2)cc1	878000320	UYFOALGFTWBXQD-PHIMTYICSA-N	307.350	1.301	50	20	DDGD	
CCc1cc(C(=O)NNc2nncc(N)c2Cl)c(C)nn1	1116576515	BTBGMYUNIRJARO-UHFFFAOYSA-N	307.745	1.130	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNc1nc2ccccc2n1C)C(C)C	879948354	XETWYRJPUKTZMV-CYBMUJFWSA-N	318.377	1.852	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cn(C(C)C)nc2C)cc1O	882051756	OOUYXAOXBUSNLH-UHFFFAOYSA-N	316.361	1.861	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)NCCc1cccs1	770602274	NBKYXGWNUSMSFQ-UHFFFAOYSA-N	305.407	1.920	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)c1ccccc1F	772111089	RCFYAHAAAKADES-VHSXEESVSA-N	310.325	1.418	50	20	DDGD	
COc1cccc([C@@H](O)C(=O)NNc2cc(Cl)ccn2)c1	778451821	WFQZWSMWTHZHMS-CYBMUJFWSA-N	307.737	1.920	50	20	DDGD	
CN(CC(=O)NNc1cc(Cl)ccn1)[C@@H]1CCSC1	778446967	MNWHCHKOZFBIDD-SNVBAGLBSA-N	300.815	1.615	50	20	DDGD	
CC[C@H](CO)C(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	772996208	GVAIIKUSHUSJRS-VHSXEESVSA-N	314.769	1.273	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@@H]1CCc2ccccc21	772134271	ATSHYLNUBVHICB-YPMHNXCESA-N	318.373	1.596	50	20	DDGD	
COC(=O)CNC(=O)NN=C1c2cccc(F)c2CC[C@@H]1C	779817620	KWGAJOJLKBUMOI-VIFPVBQESA-N	307.325	1.584	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@]12CCc1ccccc12)c1cccnn1	882059403	WISXFOXTEKAMJK-CXAGYDPISA-N	308.341	1.142	50	20	DDGD	
CN(C)C(=O)CC1CCN(S(=O)(=O)CCCCl)CC1	882054989	XHYFFBBUQLGYKY-UHFFFAOYSA-N	310.847	1.135	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1cccc(-n2cccn2)c1	784766451	PZBUOSXONVKBPS-UHFFFAOYSA-N	321.340	1.954	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC2CC2)c(OC(C)C)c1	789744090	LTCAHUKYYJOXQE-UHFFFAOYSA-N	307.350	1.589	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1n[nH]c(C)c1Br	887141962	QLMUGCWIKXNLEH-UHFFFAOYSA-N	313.155	1.045	50	20	DDGD	
O=C(NN=C1CCC[C@@H](C(F)(F)F)C1)C(=O)N1CCCC1	783513525	UCMXNEUPHRRDHZ-SECBINFHSA-N	305.300	1.834	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccc3c(c2)OCO3)c1	780790349	YKCROKUIXNPCBG-UHFFFAOYSA-N	314.297	1.959	50	20	DDGD	
O=C1NCCC[C@@H]1C(=O)NNc1ncccc1C(F)(F)F	896504752	CPKPNETZPVWLJM-ZETCQYMHSA-N	302.256	1.070	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)CCc2ccccc2)nc1	789922368	UFGSJJFCRUZOCR-UHFFFAOYSA-N	313.357	1.413	50	20	DDGD	
CC(C)(O)C(=O)NN=C1CCC2(CC1)C(=O)Nc1ccccc12	785458220	QUNUKNPQTAYOEC-UHFFFAOYSA-N	315.373	1.694	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cc(C(F)(F)F)cnc1O	782564387	YKKFBKXSLUFERA-UHFFFAOYSA-N	306.244	1.615	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)CNC(=O)c2cccnc2)[C@@H](C)C1	783854643	XKADQBINMTYWEK-RYUDHWBXSA-N	302.378	1.740	50	20	DDGD	
O=C(NNc1ncccc1Cl)c1cc2nn[nH]c2cc1F	781931757	BQLYCIVCKZYGAV-UHFFFAOYSA-N	306.688	1.902	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H]1CCCc2c(O)cccc21	789744265	QOTANYAPRHOCNP-ZDUSSCGKSA-N	305.378	1.943	50	20	DDGD	
O=C(/C=C/SCc1ccco1)NNC(=O)C1CCOCC1	894102912	CVGRHHOCEHHVEN-WEVVVXLNSA-N	310.375	1.601	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCN1CCC[C@H]1C	783919913	IGLXWZMHDLYWDP-LLVKDONJSA-N	312.845	1.953	50	20	DDGD	
C[C@H]1C(=O)CC[C@H](C(=O)NNC(=S)NC(C)(C)C)C1(C)C	899996510	WGPOEOQWIURXAE-VHSXEESVSA-N	313.467	1.922	50	20	DDGD	
CC[C@H](C)[C@@H](NC(=O)COC(=O)/C(C#N)=C\C1CC1)C(=O)OC	786678271	QEKIVVAQGSABAR-RHJSKUNNSA-N	322.361	1.093	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H]2COC(C)(C)O2)c1	783273397	BCWIMTONQUEGKI-GFCCVEGCSA-N	323.349	1.251	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)n1	780772061	RSJPZTAYPDNJGJ-LLVKDONJSA-N	306.366	1.038	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cn2ccnc2C(C)C)cc1O	899218681	HKFNGGVHKHFGDJ-UHFFFAOYSA-N	316.361	1.482	50	20	DDGD	
C=C(CBr)COC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1	795622532	YFMUEYVOJWJJIH-NXEZZACHSA-N	304.184	1.772	50	20	DDGD	
Cc1cccc(CCNC(=O)NNC(=O)c2ccccc2O)n1	792238882	XJURSLPOQLHCLS-UHFFFAOYSA-N	314.345	1.282	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccc(-n2ccnc2)nc1	791255496	DUPGRNHOVJQISV-UHFFFAOYSA-N	320.316	1.067	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=Cc1ccc2occc2c1	794915456	RGDPSVRHNIHKPL-UHFFFAOYSA-N	312.285	1.327	50	20	DDGD	
C=C[C@@H](NNC(=O)c1ccc(OCCC)c(OC)c1)C(=O)OC	799976717	VHABTLKUBUFEDN-GFCCVEGCSA-N	322.361	1.446	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2cccc3c2OC(C)(C)C3)CC1	790181574	NQCZWNQTEUDJJU-UHFFFAOYSA-N	316.405	1.691	50	20	DDGD	
O=C(Cn1ccccc1=O)NNc1cccc(F)c1[N+](=O)[O-]	790585002	IHQRPEQGKXQIMV-UHFFFAOYSA-N	306.253	1.039	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)c1cccc(OC(F)F)c1)C1CC1	791577870	OVGIGNNHDOHXPM-NSHDSACASA-N	314.288	1.474	50	20	DDGD	
C#Cc1cncc(C(=O)NNC(=O)COc2ccc(C)cc2)c1	798151867	ILRAQTBGGSVNQF-UHFFFAOYSA-N	309.325	1.211	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCc2nc3ccccc3o2)n1	794076206	VLPNCMLZRDTASV-UHFFFAOYSA-N	324.340	1.925	50	20	DDGD	
C[C@H](CBr)CN(C)[C@@H](C)[C@@H](C)S(C)(=O)=O	133790812	ROENRFNBVCJRDM-KXUCPTDWSA-N	300.262	1.771	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccccc1N1CCCC1=O	1318098998	MHNSAIKLUHDMKH-UHFFFAOYSA-N	304.350	1.167	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1cccnc1Cl	1326495165	STOYWQRZGNYMFO-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)NC/C=C\C1CC1	1324739156	IIJJTYPQBXBEJM-UPHRSURJSA-N	307.325	1.501	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(C)CCC(F)(F)F)c1	1322779005	HKEZRZUWSVVGPI-UHFFFAOYSA-N	317.311	1.640	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccccc1N1CCCC1=O	1251343613	VOWZWSVSJLGFGG-UHFFFAOYSA-N	304.350	1.166	50	20	DDGD	
O=C(CCc1ccc2c(c1)CCO2)NNc1ncnc2[nH]cnc12	1252815305	DGAWFECCMZWDFN-UHFFFAOYSA-N	324.344	1.364	50	20	DDGD	
O=C(NC[C@@H]1CCc2ccccc21)NNC(=O)c1cccnn1	1336944918	MKNLZZZYXRKZAX-LBPRGKRZSA-N	311.345	1.151	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)c1cnc(Cl)cn1	1344028552	AUUVWINMOZOCCG-UHFFFAOYSA-N	311.128	1.858	50	20	DDGD	
Cn1cc(C=NNC(=O)c2n[nH]c3c2CCCC3)c(C(F)F)n1	1347423076	XJOWCPMKIBTRGL-UHFFFAOYSA-N	322.319	1.724	50	20	DDGD	
C[C@@H]1[C@@H](C(=O)NNc2nc3ccccc3c(=O)n2C)C1(F)F	1345952511	HYJJGZHHQABCDS-XCBNKYQSSA-N	308.288	1.278	50	20	DDGD	
COc1c[nH]c(C(=O)NC[C@@]2(C)C[C@H]2Br)cc1=O	1347123191	PDYZFOYEWNNOGW-ZYHUDNBSSA-N	315.167	1.287	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C[C@@H](C)O2	1348224168	DZSMWOJCTJRYLL-NXEZZACHSA-N	319.361	1.142	50	20	DDGD	
O=C(NC[C@@H]1CCCCCN1)NNC(=O)c1ccccc1F	1353515177	VGBSHUBHPNKMCI-NSHDSACASA-N	308.357	1.302	50	20	DDGD	
COC(=O)NCCC(=O)NNc1ccccc1Br	153400128	OFUIRAVEJFUURS-UHFFFAOYSA-N	316.155	1.638	50	20	DDGD	
O=C(NCCC12CC3CC(CC(C3)C1)C2)NNC(=O)C(=O)O	1601489547	ICSRZNBQMADWGS-UHFFFAOYSA-N	309.366	1.008	50	20	DDGD	
Cc1nc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)sc1C	1606030935	VWNAKBFSPCWAEN-UHFFFAOYSA-N	315.362	1.697	50	20	DDGD	
Cc1cnn(CCC(=O)NNc2ccc(CC(=O)O)cc2)c1	1600638810	LWHLTOAZENGMAS-UHFFFAOYSA-N	302.334	1.352	50	20	DDGD	
NC[C@@H]1CCCC[C@@H]1NC(=O)NNc1ccc(F)c(C(=O)O)c1	1608254500	AEHASZZUVCZIOM-ZANVPECISA-N	324.356	1.668	50	20	DDGD	
C#CCCCC(=O)NN[C@H](C(=O)O)c1cccc(C(=O)OC)c1	1602701385	HSVCCLRKTMUIME-AWEZNQCLSA-N	318.329	1.023	50	20	DDGD	
COc1cccc([C@@H](O)C(=O)NNc2cccc(C(=O)O)c2)c1	1607312847	JZDNWQWTWQNLMM-CQSZACIVSA-N	316.313	1.570	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@@H]1CN1C[C@H](C(=O)O)C[C@H](c2cnn(C)c2)C1	1603354212	GNEZQTCCBYLWAV-BJUWDHJGSA-N	311.813	1.784	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C	1607140634	WBEYLBVUXFOOSU-JIXVBMEVSA-N	322.361	1.896	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)C1(C(=O)O)CC1	1601246924	CYNNEZWINIQHQB-UHFFFAOYSA-N	320.389	1.605	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CCCn3ncnc32)cc1F	1602385092	QVRXYESJANKAFI-SNVBAGLBSA-N	319.296	1.136	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)N[C@H]1CCN(CC2CC2)C1	1601558852	HDSWOJXLPLUNIL-AWEZNQCLSA-N	318.377	1.495	50	20	DDGD	
O=C(O)CC1(CC(=O)NNC(=O)[C@H]2CCCS2)CCCC1	1608677444	WFVIVJHKHWVHPJ-SNVBAGLBSA-N	314.407	1.455	50	20	DDGD	
Cc1cc(C)c(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)cc1C	1549312666	BWVOCJIJDFYORW-IRXDYDNUSA-N	315.417	1.925	50	20	DDGD	
N#CC1=CCN(C(=O)Cn2nc(-c3ccccc3)ccc2=O)CC1	1649736663	HTMQGJBIOAIMGG-UHFFFAOYSA-N	320.352	1.593	50	20	DDGD	
CCOc1ccccc1[C@@H](N)CC(=O)NNc1ncncc1F	1578201871	NBZGEOULBACUAL-LBPRGKRZSA-N	319.340	1.548	50	20	DDGD	
CCC(CC)(C(=O)O)C(=O)NNC(=O)CCOc1ccccc1	1589476069	VBCUQQVDOOFDQD-UHFFFAOYSA-N	322.361	1.494	50	20	DDGD	
O=C(NNC(=O)[C@@H]1NCC12CCCC2)c1c[nH]c2ccccc12	1580736558	XMAOGQCYDQIRKC-AWEZNQCLSA-N	312.373	1.461	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(C(=O)O)cn1)N1CCCCCC1	1589424614	XWLXGJXOIZBDST-NSHDSACASA-N	306.366	1.487	50	20	DDGD	
CC(C)CCC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1589582465	WDXBLHPKLAJOCR-UHFFFAOYSA-N	307.358	1.857	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NN[C@H](C(=O)O)c2cccc(Cl)c2)O1	1599906599	FMZLSIOMCJGBTF-UWJYBYFXSA-N	312.753	1.654	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)/C=C/c1cnn(C)c1	1599377122	KWAMCWXEOCTBTH-ZZXKWVIFSA-N	316.317	1.283	50	20	DDGD	
CC1(C)CCN(CCNC(=O)NNc2cccc(C(=O)O)c2)C1	1593912328	YVIUQLXAEZLOFJ-UHFFFAOYSA-N	320.393	1.743	50	20	DDGD	
O=C(O)CCCCNS(=O)(=O)c1ccc(CCl)cc1	1595047279	RMXNCDBWUDIZRA-UHFFFAOYSA-N	305.783	1.959	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1F)c1c[nH]c(-c2nn[nH]n2)c1	1593164240	ZRLUIMRHVPWSKV-UHFFFAOYSA-N	321.703	1.744	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNc1ccc(C(=O)O)cc1OC	1598836272	YXABOWSOLUANAR-QMMMGPOBSA-N	310.306	1.036	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1cc(F)c(C(=O)O)c(F)c1	1777033804	USDJTXONAAVIIA-BAQGIRSFSA-N	316.285	1.419	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(C)=O)C2	1793447686	VNUBJQQZHJMVPO-YVECIDJPSA-N	302.802	1.003	50	20	DDGD	
CC[C@H](Br)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(C)=O	1795762482	BLIRPBYBIWVQOP-USZNOCQGSA-N	317.227	1.818	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl)c1cocn1	1796803946	KOXYRFHKIWFYIT-PKIKSRDPSA-N	315.732	1.461	50	20	DDGD	
CCCn1ccc2cc(NC(=O)C(=O)NNC(C)=O)ccc21	161267219	QWPIFTLTOXPRRI-UHFFFAOYSA-N	302.334	1.157	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2SCCc3sccc32)[nH]n1	151207570	AQUAPZQFDDYZSR-NSHDSACASA-N	322.415	1.571	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNc2cnccn2)cc1OC	151828002	AIRINMAXIHREIV-UHFFFAOYSA-N	316.361	1.915	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)c2cc(C)n[nH]2)cc1	152946919	ZUDJFSPUJCSCAO-UHFFFAOYSA-N	316.361	1.972	50	20	DDGD	
CCC(=O)Nc1cccc(C(=O)NNC(=O)c2cc(C)n[nH]2)c1	153232908	FWTMHKNGAXZCGS-UHFFFAOYSA-N	315.333	1.141	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(C(N)=O)nn1)c1c(F)cccc1F	153752417	VHKKSGJYCZNECQ-SSDOTTSWSA-N	321.287	1.101	50	20	DDGD	
O=C(NNc1nccc(N2CCOCC2)n1)c1cccs1	155546014	YXMWCWGWQYMNHO-UHFFFAOYSA-N	305.363	1.132	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)[nH]1	157529177	SJUMPRMUYMNDKW-LLVKDONJSA-N	319.336	1.999	50	20	DDGD	
Cn1ccnc(NNC(=O)C(C)(C)c2ccc(F)cc2)c1=O	156260846	AINFFJCBHIYRBV-UHFFFAOYSA-N	304.325	1.340	50	20	DDGD	
CN(CC(=O)NNc1ccc([N+](=O)[O-])cc1)[C@H]1CCSC1	156422737	CJGWAHXBSNMDEO-LBPRGKRZSA-N	310.379	1.475	50	20	DDGD	
CCOC(=O)[C@@H]1CCCN(S(=O)(=O)CCCCCl)C1	154739291	QQHABRDPOPNBBG-LLVKDONJSA-N	311.831	1.610	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)nc1	159558368	GQDUELQWONYXBC-UHFFFAOYSA-N	317.305	1.646	50	20	DDGD	
O=C(NC[C@@H](c1cccc(F)c1)N1CCOCC1)[C@H](F)Cl	2088604874	BTMVCGFPEGDBLP-STQMWFEESA-N	318.751	1.850	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CNC(=O)c2cccs2)cc1	3517493	TVDNQQMFXOSCBA-UHFFFAOYSA-N	317.370	1.248	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccccc2O)c(C)o1	3550545	KSOCKJDCQXEVOI-UHFFFAOYSA-N	304.302	1.442	50	20	DDGD	
O=C(NNc1ncccn1)c1ccc(N2CCOCC2)c(F)c1	106738044	OWNIBHMYTONGAR-UHFFFAOYSA-N	317.324	1.209	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CC[C@H]2CCCCO2)c1	110295762	RPDSRDYBWDRVRG-CQSZACIVSA-N	301.346	1.669	50	20	DDGD	
CC(C)Cc1nc(C(=O)NNc2ncnc3nc[nH]c23)cs1	173963755	NUADTEJKTLXYLE-UHFFFAOYSA-N	317.378	1.765	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)Cc2ccc3ccccc3c2)cn1	53605024	WZIGVNCPVXVWHX-UHFFFAOYSA-N	320.352	1.942	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC2CCN(C3CC3)CC2)o1	177260602	IUJSNEBVUURNPY-UHFFFAOYSA-N	306.366	1.159	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cc(Cl)c(Cl)[nH]1	176776549	NDWDFGRCWJMNHI-UHFFFAOYSA-N	313.144	1.720	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2ccccc2)Cc2ccccc21	69261284	KCJRPVCCQNVLFP-UHFFFAOYSA-N	324.384	1.993	50	20	DDGD	
CCSc1ccc(C(=O)NNC(=O)NCCCOC)cn1	68761942	GFAOJUAQRDZMQQ-UHFFFAOYSA-N	312.395	1.174	50	20	DDGD	
O=C(CCCOc1cccc(F)c1)NNC(=O)NCC1CC1	65191661	AZFMUUPZINFULP-UHFFFAOYSA-N	309.341	1.725	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CCc2ccccc2O)no1	171547157	UDRUMHIFQWAMDW-UHFFFAOYSA-N	304.306	1.474	50	20	DDGD	
Cc1ncsc1CN(C)CC(=O)NNC(=O)c1ccccc1	66565145	WYXZIXCWWAMLSH-UHFFFAOYSA-N	318.402	1.345	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=S)N[C@@H](C)C2CC2)c1	171168213	LDJCJEZDZJJJAS-LBPRGKRZSA-N	321.446	1.976	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)c2ccc(C)s2)C[C@@H](C)O1	111478697	SDMHRFDNMIHXLS-KOLCDFICSA-N	311.407	1.910	50	20	DDGD	
CC(=O)NCC(=O)NNc1ccc(Br)cc1Cl	113985341	KLHRMEYMVCARRH-UHFFFAOYSA-N	320.574	1.682	50	20	DDGD	
COc1ccc2nc(NNC(=O)C3(O)CCC3)c(C)cc2c1	119066647	WHKQZDZXZSZARD-UHFFFAOYSA-N	301.346	1.910	50	20	DDGD	
N#C[C@H]1CN(S(=O)(=O)c2ccc(CCl)cc2)CCO1	306059322	RXVVRBPUTUEJTO-NSHDSACASA-N	300.767	1.338	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)Cc2cnn(C)c2)c(C)c1	171324034	DSLZLDDKNHOTQB-UHFFFAOYSA-N	317.418	1.597	50	20	DDGD	
O=C(NNC(=O)c1ccccc1OC(F)(F)F)c1ccc[nH]1	179909019	BWCUZZIHQDUNBR-UHFFFAOYSA-N	313.235	1.988	50	20	DDGD	
N#CC1(C(=O)NNC(=O)Cc2cn3ccccc3n2)CCCC1	173878606	RVEWTDFFWUNSBR-UHFFFAOYSA-N	311.345	1.108	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCCOc1ccc(OC)cc1	64426133	PZSIIHMVQSJANO-UHFFFAOYSA-N	323.393	1.985	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2nc(C3CC3)cs2)n1	123262498	ZYQOWXIDHJMERI-UHFFFAOYSA-N	320.378	1.645	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)N(C)C)c1ccc(Br)s1	172907599	PLXRCNQJDXFFSD-ZCFIWIBFSA-N	320.212	1.917	50	20	DDGD	
COCCC[C@H](C)C(=O)NNC(=O)COc1ccc(F)cc1	182602626	BTPZWIBDXMFUNQ-NSHDSACASA-N	312.341	1.415	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1n[nH]c2c1CCCCC2	189718260	SWDFVCNVNSQZRS-UHFFFAOYSA-N	301.350	1.092	50	20	DDGD	
CC[C@H]1CCCN(CC(=O)NNC(=O)Cc2nc(C)cs2)C1	30144098	SIAHSWKMZZWUAK-LBPRGKRZSA-N	324.450	1.263	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccc(OC)nn1)c1ccccc1	78119685	GCKHBEFGZXSRIA-GFCCVEGCSA-N	314.345	1.440	50	20	DDGD	
Cc1nn(C)c(-n2cccn2)c1C(=O)NNc1ccc(C#N)cc1	187079133	KFFRZVXJNDNBLJ-UHFFFAOYSA-N	321.344	1.543	50	20	DDGD	
Cc1ccc(F)cc1NC(=O)C(=O)NNc1cncc(Cl)n1	128238638	GYVJVJOZFBPSHX-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc2c1=O)c1ccccc1	32605191	SXLCSOWFIZRKFA-UHFFFAOYSA-N	307.309	1.603	50	20	DDGD	
C[C@H](CCOc1ccccc1)C(=O)NNC(=O)c1cccn1C	72936325	OJRQMRZGPVNHGR-CYBMUJFWSA-N	315.373	1.891	50	20	DDGD	
COCC(=O)N(C)CC(=O)NNc1ccccc1C(F)(F)F	129209197	CYXMMRVHEZWMNO-UHFFFAOYSA-N	319.283	1.253	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C(=O)NC(CC)CC)s1	77163929	KTIMAWNLRWZFSU-UHFFFAOYSA-N	311.407	1.376	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccccc1Nc1ccccc1	75653184	RXHFOIXKKOYNND-UHFFFAOYSA-N	312.373	1.753	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1cccc2ncccc12	72804454	RDQSLNDAINLOLG-YVLXSGLVSA-N	311.341	1.563	50	20	DDGD	
C[C@@]1(NNC(=O)Nc2cccc(F)c2)CCS(=O)(=O)C1	131681265	OKVOXDBCNJJSOQ-GFCCVEGCSA-N	301.343	1.029	50	20	DDGD	
O=C(NNC(=O)c1ccc(OCC(F)F)nc1)c1ccncc1	134513878	WPEJMUQIFPXEBH-UHFFFAOYSA-N	322.271	1.195	50	20	DDGD	
Cc1nnsc1C(=O)NNC(=O)Cn1ccc2ccccc21	190513916	SESRPUPBJNTUJI-UHFFFAOYSA-N	315.358	1.262	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C(=O)Nc1c(F)cccc1F	190310615	HSODODQTVFQIBI-UHFFFAOYSA-N	310.235	1.581	50	20	DDGD	
CO[C@@]1(C)C[C@@H](NC(=O)NNC(=O)Cc2cccnc2)C1(C)C	80604683	DANWHWDQINXXBD-WBMJQRKESA-N	320.393	1.158	50	20	DDGD	
CC(=O)NCC(=O)NNC(=O)c1cc2c(s1)CCCCCC2	192499532	LQGXBMBADFEJAR-UHFFFAOYSA-N	323.418	1.304	50	20	DDGD	
CCc1ncsc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	136451063	WCVRCCYQQZXWGF-UHFFFAOYSA-N	320.330	1.689	50	20	DDGD	
C/C=C(\CC)C(=O)NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1	190370093	RUQJFDMHVRRHSX-RMKNXTFCSA-N	318.381	1.674	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2cc(C)nc(C)n2)c(F)c1	130408255	DXYJBWHHRIHIJY-UHFFFAOYSA-N	317.324	1.623	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1cnc(O)c([N+](=O)[O-])c1	194024881	AMAXRGBOOJFCET-UHFFFAOYSA-N	306.253	1.900	50	20	DDGD	
CCCN(C)c1ccc(C(=O)NNC(=O)N2CCOCC2)cc1	194515977	IMEAENUQKRBETN-UHFFFAOYSA-N	320.393	1.219	50	20	DDGD	
C#CCOc1ccc(C(=O)NNc2nc3ccccn3n2)cc1	191899280	UOFLHJGCTNTJCX-UHFFFAOYSA-N	307.313	1.498	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=O)c1ccc(Cl)nc1	245202026	OTVHDMBYTSRFBP-OUAUKWLOSA-N	324.812	1.757	50	20	DDGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cn(C)c(=O)n(C)c1=O	255138677	BLGGJDHNTXMUMQ-POHAHGRESA-N	315.354	1.244	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)CSC(F)(F)F	264555491	PRLUEUBDNFPWAL-UHFFFAOYSA-N	324.280	1.171	50	20	DDGD	
CN(C)N(C(=O)CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1	263973462	GDBOZXWULIJOKF-GFCCVEGCSA-N	316.448	1.173	50	20	DDGD	
Cc1ccccc1[C@@H](CC(=O)NNC(=O)C1CCC1)NC(N)=O	264674854	HOUMPHBKUXIAHD-CYBMUJFWSA-N	318.377	1.042	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCCN2C2CCCC2)o1	269654983	JAOMYVIRXURDLV-CYBMUJFWSA-N	305.378	1.756	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)c2ccccc2OC)CCS1	266812604	VWVRTAWIPANOKH-NSHDSACASA-N	323.418	1.877	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cccc(N2CCCC2=O)c1	267606723	NAWKBYBVRPSYIK-UHFFFAOYSA-N	303.362	1.621	50	20	DDGD	
Cc1cc(NNC(=O)CN(C)C(=O)OC(C)(C)C)nc(C)n1	265551495	QGWSCMCSMPZZKB-UHFFFAOYSA-N	309.370	1.403	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(Cl)cc(Cl)c1)S(C)(=O)=O	276742920	CYWLDVDMJUAZCM-LURJTMIESA-N	311.190	1.870	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)C2(C#N)CCCC2)c1	271901000	AMKRHWCESXDPJO-UHFFFAOYSA-N	307.375	1.617	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1cccc(C(=O)CC)c1	274408987	ZKHRTUMJDFJXNC-UHFFFAOYSA-N	313.379	1.134	50	20	DDGD	
COCCN1CC[C@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)C1	273219318	RQAXSLYILXDZBA-DNXIFWLFSA-N	317.364	1.570	50	20	DDGD	
CCCOc1ccc(S(=O)(=O)NN(C)C(=O)NCC)cc1	275422935	CYXRXEHRTBQZNR-UHFFFAOYSA-N	315.395	1.330	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CCCCc2c[nH]nn2)n1	274335653	BUAJEDWOECQWHH-UHFFFAOYSA-N	309.761	1.413	50	20	DDGD	
COC(=O)CSCCC(=O)NNc1cnc2ccccc2n1	274212193	PJRQRGCAMBIZQH-UHFFFAOYSA-N	320.374	1.369	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)C(C)(C)F)[nH]n2)cc1	271074784	NTGOHYXNFOJYNG-UHFFFAOYSA-N	304.325	1.894	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NN(C)C(=O)OC)cc1	286535095	YJBMOZVNNKDGQV-FMIVXFBMSA-N	303.318	1.722	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H]2CCOC[C@H]2C)c1	287907314	PYEZBGZZTQHISF-YPMHNXCESA-N	321.377	1.772	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cccnc1OCC(F)(F)F	286309288	KJYBUUFOGFZSFI-UHFFFAOYSA-N	307.228	1.366	50	20	DDGD	
C[C@H]1CCC[C@@H]1NCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	281967353	GQQYNOSVSHLAPY-GWCFXTLKSA-N	320.349	1.134	50	20	DDGD	
NC(=O)[C@H]1CC[C@@H](C(=O)NNc2ccc(C(F)(F)F)cc2)O1	281107725	HEGTYGYASBKWIW-ZJUUUORDSA-N	317.267	1.181	50	20	DDGD	
COC(=O)CC[C@H](N)C(=O)NNc1c(Cl)cccc1Cl	288510134	BWRWOUXZZFSABZ-VIFPVBQESA-N	320.176	1.717	50	20	DDGD	
CC(C)CCC(=O)NCC(=O)NNc1nccnc1C1CCC1	287207274	NJEHANSZJUSHEF-UHFFFAOYSA-N	319.409	1.740	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1O)C(=O)OC	282993225	QNJSXIFKESGSSD-QMMMGPOBSA-N	314.725	1.006	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc(F)c(Cl)c1F	295269787	BSVVDPJHJSIDHS-SECBINFHSA-N	318.707	1.948	50	20	DDGD	
Cn1nnc2c1C[C@H](C(=O)NNc1ccc(Cl)c(F)c1)CC2	290317404	KONVPYBGVWAGLE-MRVPVSSYSA-N	323.759	1.856	50	20	DDGD	
Cn1ncc(CCCNC(=O)NNc2cccc(Cl)n2)n1	296711885	AIAWQTUWNMWMFZ-UHFFFAOYSA-N	309.761	1.122	50	20	DDGD	
Cc1nc(NC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)nn1C	293800577	XRGKHGBLMWESIW-LFYBBSHMSA-N	309.333	1.188	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C(C)(F)F)cc(OC)c1OC	292839944	ZOBQQZAWVFMILH-UHFFFAOYSA-N	318.276	1.129	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2ccc(O)c(OC)c2)n1	294861938	GJAKZWZGDDTLAG-UHFFFAOYSA-N	318.333	1.194	50	20	DDGD	
COc1ccccc1CNC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	296099689	ANDVYBBQYNCGDT-GWCFXTLKSA-N	307.350	1.093	50	20	DDGD	
CNc1c(C(=O)NNc2cccc(F)n2)cccc1[N+](=O)[O-]	804769371	FEGMCUBXYIBANI-UHFFFAOYSA-N	305.269	1.928	50	20	DDGD	
N#C[C@]1(C(=O)NNC(=O)NCC(F)(F)F)CC12CCCC2	296209432	NHZXFQNLNNIMII-NSHDSACASA-N	304.272	1.353	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@](C)(OC)C1CC1	290940765	KQVAWLVEBOTWSZ-MRXNPFEDSA-N	322.361	1.037	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cccc(N2CCCNC2=O)c1	294294293	WLYNCCPETNOZNU-UHFFFAOYSA-N	316.361	1.167	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccccc2OCC2CC2)O1	294050334	ZAVRJSQWZARKHK-NHYWBVRUSA-N	318.373	1.804	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccncc1C(F)(F)F	800689855	ZAICOLCFWXERHM-UHFFFAOYSA-N	315.173	1.814	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)[C@@H](F)C(F)(F)F	290151741	VVACVJYHOQZDHF-SNVBAGLBSA-N	308.231	1.251	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=C1CCCc2occc21	814783778	WUPADICHGFPURB-UHFFFAOYSA-N	318.358	1.463	50	20	DDGD	
CC(CC1(C(=O)O)CCC1)=NNC(=O)COc1ccccc1O	814951649	NUBGJJAKGCURBW-UHFFFAOYSA-N	320.345	1.908	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NOCCOC(C)C	812804470	NLAWNJBVEQTHGA-UHFFFAOYSA-N	303.790	1.825	50	20	DDGD	
O=C(NNc1ccc(Cl)c(F)c1)[C@H]1CCc2nncn2C1	815857543	INKPTZINTDARKK-QMMMGPOBSA-N	309.732	1.776	50	20	DDGD	
COc1ccc(F)cc1C=NNC(=O)Cn1nc(C)cc1C	812225177	UKGRVNWKAUENCM-UHFFFAOYSA-N	304.325	1.798	50	20	DDGD	
CNC(=O)NNC(=O)c1ccnc(-c2ccc(Cl)cc2)n1	813420900	ODLHQPSBEYHUKA-UHFFFAOYSA-N	305.725	1.371	50	20	DDGD	
Cc1cncc(NC(=O)C(=O)NNc2cccc(Cl)n2)c1	815728600	LCYMQPVTMORNIJ-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
Cc1cc(C(=O)NN=C2CC[C@@H](C(=O)O)C(C)(C)[C@@H]2C)n[nH]1	814876366	UYRBEGMROVTCER-ZJUUUORDSA-N	306.366	1.961	50	20	DDGD	
Cc1ccc(-c2nc(CC(=O)NNc3cnnn3C)cs2)o1	816771969	IDARUVQYPLKEMP-UHFFFAOYSA-N	318.362	1.526	50	20	DDGD	
C[C@](C#N)(CC(=O)O)C(=O)NNc1ncnc2ccsc12	819848210	RDSYASUTFWGVPI-GFCCVEGCSA-N	305.319	1.139	50	20	DDGD	
CNc1ccc(Cl)c(C(=O)NNC(=O)c2cccn2C)c1	816823934	KPSPHOCWSHWPHR-UHFFFAOYSA-N	306.753	1.795	50	20	DDGD	
O=C(NN=CC[C@@H]1CCCCC12OCCO2)c1ccnnc1	817340453	PLNVKSCRTILXNW-ZDUSSCGKSA-N	304.350	1.516	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2ccc(OC)cc2[N+](=O)[O-])n1	815830493	CXFCGDQGLHOKFC-UHFFFAOYSA-N	320.309	1.280	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@H](CO)c1ccc(Cl)cc1	813720695	WIMZCXSXYIYEEC-RSKUSDAESA-N	308.765	1.976	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)c2cccc(N(C)C)c2)C1	819806836	YEINHAFTKNFOSX-UHFFFAOYSA-N	303.362	1.812	50	20	DDGD	
Cc1csc(CNC(=O)NNC(=O)c2cccc(C#N)c2)n1	728943040	DKQJWOOQLIBEOK-UHFFFAOYSA-N	315.358	1.467	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1	815159220	MYNCMSCOWGBPDO-FQKPHLNHSA-N	307.438	1.546	50	20	DDGD	
Cc1ccc2c(c1)CCN(C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)C2	827258801	DYSWWJICXLPYLY-IUODEOHRSA-N	317.389	1.519	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cn2ccc3ccccc32)cn1	729450337	XBUOBZAZLCTRCJ-UHFFFAOYSA-N	324.340	1.506	50	20	DDGD	
CC(Cn1cccn1)=NNC(=O)CCCNC(=O)OC(C)(C)C	497011206	NRADUNXXAGXLGT-UHFFFAOYSA-N	323.397	1.680	50	20	DDGD	
CCN(CCO)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1	823853035	XQYUGDDSPQRBIB-HNNXBMFYSA-N	323.412	1.383	50	20	DDGD	
COC(=O)NNC(=O)Nc1cccc(OC[C@H]2CCCO2)c1	490870234	ZYHZJUGNGQIGMJ-GFCCVEGCSA-N	309.322	1.637	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(OC)cc(OC)c1	822200743	YXJOQYMSEPDGFO-KGLIPLIRSA-N	320.345	1.056	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNC(=O)NC1CCCCC1	493806591	OWVNVBPKDSYJJD-UHFFFAOYSA-N	314.386	1.176	50	20	DDGD	
COc1cccc(NNC(=O)Nc2ccccc2CC(=O)O)n1	820871219	PLZVGHITRGTQAS-UHFFFAOYSA-N	316.317	1.866	50	20	DDGD	
CC(=O)N[C@@](C)(C(=O)NNc1cc(Cl)nc(C)n1)C(C)C	822967687	PPXGDSPKSWYYBF-CYBMUJFWSA-N	313.789	1.432	50	20	DDGD	
CC(C)C[C@H](C)n1nccc1NC(=O)c1cccc(B(O)O)c1	584993929	VSOKNJCNKOEIIE-LBPRGKRZSA-N	315.182	1.422	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F	823971407	SYCNOXYMKLZYAS-QMMMGPOBSA-N	322.331	1.614	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NNC(=O)c1nc2ccccc2s1	828829560	FWJFODDTMFHJIH-WPRPVWTQSA-N	305.359	1.482	50	20	DDGD	
CN1CCC[C@H](NCc2ccc(B(O)O)o2)c2ccccc21	585044622	OINHQLBRJBAEIP-AWEZNQCLSA-N	300.167	1.020	50	20	DDGD	
CCCCOc1ccc(C(=O)NN(C)[C@H](C)CO)cc1OC	823988094	PJFALPFRQSUYOO-GFCCVEGCSA-N	310.394	1.832	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1cccc(N2CCOC2=O)c1	495443117	PQQHFMOQNJSSMR-UHFFFAOYSA-N	304.306	1.206	50	20	DDGD	
CCO[C@H](C)c1ncc(C(=O)Nc2cccc(B(O)O)c2)s1	584911881	ITFAOOYYYXRDSF-SECBINFHSA-N	320.179	1.173	50	20	DDGD	
C[C@@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)[C@H]2CCCC[C@@H]21	584927613	AAXNNRAMIKVOPL-KFNAQCHYSA-N	319.185	1.546	50	20	DDGD	
CCOc1cn(-c2ccccc2)nc1C(=O)NN(CC)CCO	823855963	JERMOAJUFRKHEV-UHFFFAOYSA-N	318.377	1.230	50	20	DDGD	
C[C@@H](C[C@@H](O)c1ccc(F)cc1)NCc1ccc(B(O)O)cc1	585035206	QRPGWTWCEFJFQZ-YVEFUNNKSA-N	317.169	1.107	50	20	DDGD	
CCn1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)cn1	737302501	YMLZMRBBBZTIFC-UHFFFAOYSA-N	305.246	1.729	50	20	DDGD	
Cc1cnc([C@H](NCc2cccc(B(O)O)c2)C2CC2)s1	585025642	ZHIMAAVKQWPTLN-CQSZACIVSA-N	302.208	1.372	50	20	DDGD	
CN(C(=O)/C(C#N)=C\c1cnn(C)c1)[C@@H](CCO)c1ccccc1	491159036	HELZYHKLLOZYOZ-RNIVLKNTSA-N	324.384	1.909	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2cc(Cl)c3c(c2)OCO3)cn1	735412952	DUJZYZUQCSRGAO-UHFFFAOYSA-N	306.709	1.566	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21)c1cccc2ncccc12	906603457	ZFMFGDDYPGTOAM-TUKIKUTGSA-N	309.325	1.221	50	20	DDGD	
OB(O)c1ccc(CNc2cc(F)cc(N3CCCC3)c2)cc1	585013121	MCIYBIIXNXVCAV-UHFFFAOYSA-N	314.169	1.718	50	20	DDGD	
COCCn1c(C)cc(C=NNC(=O)c2cnn(C)c2)c1C	735412305	VQCWTEANHQNTRN-UHFFFAOYSA-N	303.366	1.249	50	20	DDGD	
C[C@H](C(=O)NNc1cccnn1)[C@@H](C)NC(=O)OC(C)(C)C	495958940	XYZFETOYHITWKM-VHSXEESVSA-N	309.370	1.469	50	20	DDGD	
CCOc1ccc(NNC(=O)NC[C@H]2CCOC[C@@H]2OC)cc1	838661173	WOJMHZKKCQKGTI-DOMZBBRYSA-N	323.393	1.763	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)/C=C/c2ccc[nH]2)cc1OC	492010362	OMQUAQDSTFRRQR-SOFGYWHQSA-N	315.329	1.506	50	20	DDGD	
Cc1c(NNC(=O)C[C@@H]2CCC(=O)N2C)cccc1[N+](=O)[O-]	830810066	FZDNXIMROQBFBJ-JTQLQIEISA-N	306.322	1.357	50	20	DDGD	
CNC(=O)C[C@H](C)NC(=O)NNc1ccc(Cl)c(OC)c1	838697925	QTKFWJGTEOKGTG-QMMMGPOBSA-N	314.773	1.499	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccccc1OC(F)F	833255980	JXCZGZHZEKVADK-LLVKDONJSA-N	314.288	1.618	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)c2cccc(-c3nn[nH]n3)c2)cn1	736717493	CWTBKDYAYIJOCR-UHFFFAOYSA-N	324.348	1.237	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cnn3ccccc23)cc1	732280558	LCCXVBZZHXKFAG-UHFFFAOYSA-N	305.297	1.281	50	20	DDGD	
Cc1nc(C(C)C)ncc1C(=O)NNC(=S)NC(C)(C)C	900001068	FPYHMMUJFGPPKM-UHFFFAOYSA-N	309.439	1.816	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNC(=O)Cc1ccc(F)cc1	838775807	LLPBAVFVQYWFKD-OLZOCXBDSA-N	309.341	1.266	50	20	DDGD	
C[C@@H]1CC[C@@H](NC(=O)NNC(=O)N=c2cc[nH]cc2)[C@H](C)C1	836299956	LQGRIWHYRHMHJQ-NQBHXWOUSA-N	305.382	1.664	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@H](C)CC(=O)O	832622981	KWMWTVLZQGSRBS-MRVPVSSYSA-N	311.363	1.124	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)[C@H]3CCCCO3)cc2n1C	833235709	JYULSFGMGQGQCC-CQSZACIVSA-N	316.361	1.212	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1ccccc1F	732301859	KNPHOEYNTFDSAU-UHFFFAOYSA-N	308.334	1.986	50	20	DDGD	
Cc1ccc(N2CC[C@@H](NCc3ccc(B(O)O)cc3)C2)cc1	585024258	VUDPTBWIIJPLMN-QGZVFWFLSA-N	310.206	1.043	50	20	DDGD	
C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1cccc(B(O)O)c1	584960056	GOEQCPHDHWBSHT-CXAGYDPISA-N	309.174	1.385	50	20	DDGD	
CC[C@H](COCC(F)(F)F)NC(=O)NNC(=O)C1CCC1	836532412	RWHBSBRSNRPDGZ-SECBINFHSA-N	311.304	1.474	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1ccc(C(C)(F)F)cc1	838612768	FJOYRWNAGGQPAJ-UHFFFAOYSA-N	315.320	1.665	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCCCC[C@H]1c1ccco1	584951648	YJCCNUDMLKBHIW-HNNXBMFYSA-N	313.162	1.717	50	20	DDGD	
CCN(CCc1cccs1)C(=O)c1cccc(B(O)O)c1	584930898	FVHJRKCCODFKCV-UHFFFAOYSA-N	303.192	1.133	50	20	DDGD	
CN1CCC(NC(=O)NNC(=O)C(C)(C)c2ccccc2)CC1	731279219	YBQWRKSUDNKDES-UHFFFAOYSA-N	318.421	1.389	50	20	DDGD	
O=C(COC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12)NNC(=O)c1cccs1	838126881	SMXLDLBZVKPBIP-OUAUKWLOSA-N	322.386	1.489	50	20	DDGD	
Cc1cnc(C=NNC(=O)[C@H](C)CN2C[C@H](C)O[C@@H](C)C2)o1	834934577	OIRFJUJFZSUTKQ-WXHSDQCUSA-N	308.382	1.178	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NNC(=O)C2CCC2)C1	732141802	QKNDXSJUZXFYMF-GFCCVEGCSA-N	309.410	1.219	50	20	DDGD	
C[C@H](OCc1ccccc1)C(=O)NNc1ccc(C(=O)O)cn1	833535334	HJYADKWJRUPENR-NSHDSACASA-N	315.329	1.828	50	20	DDGD	
O=C(CCCc1nc(C2CC2)no1)NNC(=O)NCC1CC1	739707080	WSTSXQWWZOTUPD-UHFFFAOYSA-N	307.354	1.010	50	20	DDGD	
Cc1ncc(NC(=O)C(=O)NNc2ccc(C(C)C)cc2)cn1	835973359	XXOSPZBVNQTBCW-UHFFFAOYSA-N	313.361	1.990	50	20	DDGD	
CC[C@H](O)[C@H]1CCCCN1C(=O)/C(C#N)=C\c1cnn(C)c1	912118280	DOWFIMSCLPMZJX-LPVIATNSSA-N	302.378	1.479	50	20	DDGD	
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1nccs1	741773394	XKRCPTKKFMSZLM-UHFFFAOYSA-N	306.303	1.911	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2cccc(F)n2)C[C@@H]1Br	912733648	WHDLSLKXVJYYBR-WRWORJQWSA-N	316.130	1.155	50	20	DDGD	
COc1cccc([C@H](C)C(=O)NNc2nccn(C)c2=O)c1	747941608	JXWODUIMNNDNBS-JTQLQIEISA-N	302.334	1.036	50	20	DDGD	
CCN(CCO)NC(=O)c1c(-c2cccc(F)c2)noc1C	911443818	OERXRXSRVFJYSJ-UHFFFAOYSA-N	307.325	1.748	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)c2ccc3ccccc3c2)CN1	918110900	YCJRFOBHCFTXHJ-AWEZNQCLSA-N	311.341	1.127	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1(c2cccnc2)CCCC1	843657750	RSGGDKKUVPZSFA-JSGCOSHPSA-N	317.389	1.466	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2cc(Cl)nc(C)n2)CCC1	841471103	KGLZZDDYLALENU-UHFFFAOYSA-N	312.757	1.615	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)OCC(=O)N2CCCC2)c1	849205296	YMZXXVNEHIBKKM-NTEUORMPSA-N	314.341	1.768	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)C1(n2cnnn2)CCCCC1	846633485	PEXSTTVOPRKALP-UHFFFAOYSA-N	320.397	1.060	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2ccc(C(=O)O)[nH]2)c1	749812430	OAUXKOBLJAJDQA-UHFFFAOYSA-N	301.302	1.550	50	20	DDGD	
CC(C)CNC(=S)NNC(=O)COc1ccc(C#N)cc1	916120657	HAXYUOBVXNJYOE-UHFFFAOYSA-N	306.391	1.088	50	20	DDGD	
N#Cc1cccc(NNC(=O)Cn2ccc(C(F)(F)F)n2)c1	748031391	VZKYORRAJYRZCJ-UHFFFAOYSA-N	309.251	1.917	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@](O)(CC#N)C1	844016314	UYPIRYGPKXCZTN-CQSZACIVSA-N	310.785	1.229	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC2(C)CCNCC2)c1	841970418	XTVOLNXELBNIKP-UHFFFAOYSA-N	320.393	1.489	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNc1cccc2cnccc12	845856437	CZDGRLBGDZCDPP-UHFFFAOYSA-N	300.362	1.840	50	20	DDGD	
C[C@H]1CC(=NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)CO1	842526643	DBCFNEBHPKJKDB-VIFPVBQESA-N	311.363	1.376	50	20	DDGD	
CC1(C)COc2c(C(=O)NNC(=O)c3ncccn3)cccc21	841353748	YVGPKZFJZYKGSA-UHFFFAOYSA-N	312.329	1.221	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1ccc(-n2cccn2)cc1	745590590	BIMRVJZQAHHEJP-UHFFFAOYSA-N	313.361	1.638	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H]1C1CCC1	845220455	JGZXFFXHGVBJMJ-WCFLWFBJSA-N	310.394	1.548	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)N1CCN(C)CC1)c1ccc(Cl)cc1	846640532	WIUOVJSQWLALIL-LLVKDONJSA-N	324.812	1.432	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2ccc(Oc3cnccn3)cc2)cn1	743440681	VSBUIBIYIXBWPS-UHFFFAOYSA-N	322.328	1.766	50	20	DDGD	
COCC(C)(C)C(=O)NNc1ncc(Br)cn1	848321340	QGBCCEGYBOZOTQ-UHFFFAOYSA-N	303.160	1.355	50	20	DDGD	
O=C(Cn1cc2ccccc2n1)NNC(=O)NCc1ccco1	748529786	TVMXKIYZUDOGBJ-UHFFFAOYSA-N	313.317	1.160	50	20	DDGD	
CCOCCC1(C(=O)NNc2nccnc2OC)CCCC1	840572264	QYICUUIACLMIRM-UHFFFAOYSA-N	308.382	1.915	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNC(=O)c2cccc3ncccc23)o1	747409306	FALJPYDRHJSQAG-UHFFFAOYSA-N	324.296	1.002	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)c2cccn2C)cc1F	743845198	YFCMJAPLTYYQHR-UHFFFAOYSA-N	304.325	1.305	50	20	DDGD	
C[C@H](N)CNC(=O)NNc1ccc(Br)c(F)c1	841984003	HJCMYEZXJIUFOQ-LURJTMIESA-N	305.151	1.562	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc2c(F)cccc2c1	843663422	YPMVBSAXVGGAAM-SKDRFNHKSA-N	317.320	1.560	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H]2CCCN(C(N)=O)C2)cc1Cl	753319381	ZMHJEDLJBUSMJU-JTQLQIEISA-N	321.768	1.445	50	20	DDGD	
Cc1c(C(=O)NNC(=O)OCC(F)(F)F)cnn1C(C)(C)C	856024841	DKYQHXRRPJEJNJ-UHFFFAOYSA-N	322.287	1.880	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(F)c(C(F)(F)F)c(F)c1	757877292	MVQZFZRRSZSVMS-UHFFFAOYSA-N	311.210	1.948	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)COCc1ccccc1C	856962243	LIUIVMLBGWTRJZ-LBPRGKRZSA-N	322.361	1.001	50	20	DDGD	
C[C@]1(CNC(=O)N2C[C@@H]3C[C@]3(CO)C2)C[C@@H]1Br	856956181	VHWWOQZPWDJAGJ-GAIPPQHRSA-N	303.200	1.184	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC(C(N)=O)CC2)C[C@@H]1Br	856900169	JUTQEKSPDBOUGA-JOYOIKCWSA-N	318.215	1.067	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)NCC1CC=CC1	858720528	LMBXVGOAHUJSML-UHFFFAOYSA-N	321.402	1.781	50	20	DDGD	
CCC[C@H](O)C(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1	929330991	QDQVRAJPIJNQEW-LBPRGKRZSA-N	324.377	1.404	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C[C@@H]1CCCO[C@H]1c1nccn1C	853308983	CVTUMOYLUAPXRR-WCQYABFASA-N	316.365	1.335	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(F)c(F)c1)c1nnnn1C1CC1	922179781	ZLJVJXFIZGKOKB-SSDOTTSWSA-N	323.307	1.674	50	20	DDGD	
C[C@]1(CN[C@@H]2CCOC[C@@H]2[C@H]2CCCN2)C[C@@H]1Br	857253201	IRMQZZGHWUPQIM-XGFWRYKXSA-N	317.271	1.907	50	20	DDGD	
CCc1ccc(CC(=O)NNC(=O)OCC(F)(F)F)nc1	856027177	CIQUCSSBMRTWRY-UHFFFAOYSA-N	305.256	1.506	50	20	DDGD	
COc1cc(Cl)cc(C=NNC(=O)c2cnccn2)c1O	758869544	BEVHFGBMQHMDAE-UHFFFAOYSA-N	306.709	1.608	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)c2cccc(F)n2)CCCS1	852201959	UTHUODVJZWIZQP-CYBMUJFWSA-N	312.370	1.450	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)Cc2ccc(C(N)=O)cc2)c1	754252961	NGXVMBDYTPOXBX-UHFFFAOYSA-N	301.321	1.919	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CO[C@@H](C)C2)c1C	854204936	GBBKBSCFHARJNY-GXSJLCMTSA-N	307.350	1.585	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NC[C@@H]1CCCCO1	750327784	PIDKCDSQOKQVPJ-AWEZNQCLSA-N	305.378	1.519	50	20	DDGD	
CC(COC(C)C)=NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C	853377425	ROJPWMAIUGWYNB-UKRRQHHQSA-N	322.409	1.805	50	20	DDGD	
CN(C)C(=O)Nc1cccc(C(=O)NNc2ccncn2)c1	857520951	USRJRJVLVRZZBP-UHFFFAOYSA-N	300.322	1.327	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC[C@H](C2CCC2)CC1)c1ccnnc1	854969129	XFKARLCJUXFRKY-JOCQHMNTSA-N	302.378	1.844	50	20	DDGD	
CCc1[nH]nc(C(=O)NN=c2cc[nH]cc2Cl)c1[N+](=O)[O-]	757421575	GSWLPKZGACVGSI-UHFFFAOYSA-N	310.701	1.108	50	20	DDGD	
Cc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)C(=O)NC(C)C)cc1C	854291184	RECIQBPHLOZCPI-UONOGXRCSA-N	317.389	1.079	50	20	DDGD	
C[C@]1(CNC(=O)c2nc[nH]c3nccc2-3)C[C@H]1Br	857390397	XXMCOHMBWOKKQM-PRHODGIISA-N	309.167	1.813	50	20	DDGD	
O=C(C[C@@H]1CCCS(=O)(=O)C1)NNc1ccnc(Cl)c1	855466614	RYOJHXZOAVQZLB-VIFPVBQESA-N	317.798	1.393	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1c[nH]c2nccc-2c1)C1CC1	855096532	XCLUVYALKSRDSD-MRVPVSSYSA-N	303.391	1.422	50	20	DDGD	
O=C(NNC(=O)c1cnco1)c1cccc(Br)c1	759184012	GJFKOZDWTQVTKK-UHFFFAOYSA-N	310.107	1.512	50	20	DDGD	
Cc1cc(Cl)cc2c1OCCC2=NNC(=O)[C@H]1CCC(=O)N1	863146598	XOSXUMPRDOEEHJ-GFCCVEGCSA-N	321.764	1.530	50	20	DDGD	
CCS[C@H](C(=O)NNC(=S)NCCSC)C(C)C	769766543	WCRVPIOCZWBZBT-VIFPVBQESA-N	309.526	1.622	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F	869067681	FQRRSCQQHKEHKI-DBIOUOCHSA-N	322.327	1.928	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)N1	862457625	MOZLAIRRQFTCAG-YVECIDJPSA-N	307.394	1.019	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCc2ccncc2)cc1	762663266	IVRUVWPQXBFOQV-UHFFFAOYSA-N	312.373	1.831	50	20	DDGD	
Cc1cc(=NNC(=O)c2sc(N(C)C)nc2Cl)cc[nH]1	862515202	MEVQLGVBVHDTBQ-UHFFFAOYSA-N	311.798	1.745	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NN=CC1CCOCC1	763376536	OENYIIMWVCRFFN-UHFFFAOYSA-N	313.398	1.820	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)CN(C)[C@@H]2CCSC2)o1	764048820	GKVVFJZOEVFTEZ-SNVBAGLBSA-N	323.422	1.550	50	20	DDGD	
CCOC(=O)N1CSC[C@@H]1C(=O)NNc1ccccc1F	935016376	FOGBCIHMIVPQFG-LLVKDONJSA-N	313.354	1.800	50	20	DDGD	
CSSCCNC(=O)[C@H]1COc2ccc(O)cc2O1	868138364	JPXRAUHXUQRENR-LLVKDONJSA-N	301.389	1.659	50	20	DDGD	
CC(C)N1CCC(CCNC(=O)NNC(=O)C(C)(C)C)CC1	868230505	DZNGTJAIPBXXTL-UHFFFAOYSA-N	312.458	1.873	50	20	DDGD	
O=C(Nc1nc2c(s1)CCCCC2)c1cccc(B(O)O)c1	863871234	FIMZOYFPAASNCH-UHFFFAOYSA-N	316.191	1.344	50	20	DDGD	
CC[C@@](C)(O)C(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	935681288	QSDIQRNMVNFCCA-LKFCYVNXSA-N	314.769	1.416	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@]12CCCc1ccccc12)c1cn[nH]c1	862472806	SURNLESWWXDSEK-WMLDXEAASA-N	310.357	1.465	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(Br)cnc1F	860668672	VNARXOQOCRKFBT-UHFFFAOYSA-N	319.134	1.289	50	20	DDGD	
C[C@@]1(CNC(=O)C23CCCN2CCC3)C[C@H]1Br	1118787619	FGPQJSKBUJDPAK-PWSUYJOCSA-N	301.228	1.905	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)CC(F)(F)F)cc1O	869021822	YSRPXVMXTQDDPW-UHFFFAOYSA-N	306.240	1.043	50	20	DDGD	
CN(C)CCn1cc(C(=O)NNc2cc(Cl)ccn2)cn1	867252903	YUBHXDJRDALISI-UHFFFAOYSA-N	308.773	1.250	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)[nH]1	1116579348	QDWQLHDQTUOSCV-UHFFFAOYSA-N	324.381	1.307	50	20	DDGD	
COC(=O)[C@H](NNC(=O)[C@H]1CCCCO1)c1cccc(OC)c1	871887608	VQXFXBMHJUWDDT-ZIAGYGMSSA-N	322.361	1.099	50	20	DDGD	
CC(C)(C)Oc1cccc(C=NNC(=O)CS(C)(=O)=O)c1	872394005	LQQREDFCUPOODV-UHFFFAOYSA-N	312.391	1.359	50	20	DDGD	
O=C(NN=C1CCS(=O)CC1)c1cc(-c2cccs2)[nH]n1	764786518	SCTNLDIWFJPQJJ-UHFFFAOYSA-N	322.415	1.767	50	20	DDGD	
O=C(C#Cc1cccs1)NNC(=O)c1n[nH]c2c1CCCC2	1117783965	CTPOZBRAYBVUCL-UHFFFAOYSA-N	314.370	1.163	50	20	DDGD	
CCOC(=O)Cn1cc(C=NNC(C)=O)c(-c2ccccc2)n1	872326228	WNRZICRVYGTXIH-UHFFFAOYSA-N	314.345	1.583	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)C2(N(C)C)CC2)c1	874946669	RDTIQZBHIBJIEU-UHFFFAOYSA-N	310.398	1.546	50	20	DDGD	
CC(=O)NC1(C(=O)NNc2nccnc2C(C)C)CCCCC1	772824727	VUDURQVJQOQENZ-UHFFFAOYSA-N	319.409	1.882	50	20	DDGD	
CC(C)CC(=O)NN=C1C(=O)Nc2c(F)cc([N+](=O)[O-])cc21	774343236	JKAYYAPZKORYGM-UHFFFAOYSA-N	308.269	1.552	50	20	DDGD	
O=C(NNC(=O)[C@H](O)Cc1ccccc1Cl)c1ccccn1	771841089	UMQYDMFHNSDPGL-CYBMUJFWSA-N	319.748	1.100	50	20	DDGD	
Cc1noc(C2CC2)c1C(=O)NNc1ccnc(N(C)C)n1	776157709	USTAEEBYUMMOPB-UHFFFAOYSA-N	302.338	1.473	50	20	DDGD	
CC(C)(C)Oc1cccc(C=NNC(=O)CN2CCCC2=O)c1	872334871	BSTKGQAAYIIHGO-UHFFFAOYSA-N	317.389	1.936	50	20	DDGD	
COC(=O)N(C)NC(=O)NCC(C)(C)N1C[C@@H](C)C[C@@H](C)C1	875140800	VIPOCESBHKKXOV-TXEJJXNPSA-N	314.430	1.655	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CCNC(=O)C(C)(C)C	772860717	UJXBCDVPGPEURB-UHFFFAOYSA-N	307.398	1.596	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2[nH]cnc2C)c1C	873798818	OIWNXZUDCQENHR-LBPRGKRZSA-N	316.361	1.563	50	20	DDGD	
CCC[C@@H]1C[C@@H](C(=O)NNC(=O)c2cccc(C#N)c2)CCO1	779904089	SHGXQCIGKRHEPN-LSDHHAIUSA-N	315.373	1.915	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)[C@@H]1CCCN1c1ncccn1	885139651	FMSNTAGBZJUVTE-ZDUSSCGKSA-N	319.315	1.867	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)[C@@H]3CC34CCCC4)nc21	770980272	OICFZBALWCDBCH-VIFPVBQESA-N	302.338	1.092	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@@](C)(O)C(C)C)cc1	770220056	OQYFXIAFNGNJIE-HNNXBMFYSA-N	310.419	1.642	50	20	DDGD	
Cc1ccc(CC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)cn1	772030915	IFGQRJFEEZIWRS-GFCCVEGCSA-N	321.377	1.058	50	20	DDGD	
C#CCOc1ccccc1NC(=O)NNc1nccnc1OC	776096178	IBNKHCNJKGELSH-UHFFFAOYSA-N	313.317	1.646	50	20	DDGD	
N#CCc1ccccc1CC(=O)NNC(=O)NC1CCCC1	776970169	GSXZWVQPLFNIRW-UHFFFAOYSA-N	300.362	1.568	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cccc2nccn12	776841746	ZOVBRECFJBRLHH-UHFFFAOYSA-N	324.340	1.347	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)c1cccc(F)c1	772161486	YCENYKWRAKVDRL-UWVGGRQHSA-N	310.325	1.418	50	20	DDGD	
C=CCC1(CNC(=O)NNC(=O)c2cccnn2)CCCC1	883680052	ANGPBBXURSCIBM-UHFFFAOYSA-N	303.366	1.557	50	20	DDGD	
CCCNC(=O)CCC(=O)NNc1c(F)cc(F)cc1F	885150777	KILCITXZWGGJQH-UHFFFAOYSA-N	303.284	1.853	50	20	DDGD	
C[C@H]1CC[C@H](NC(=O)NNC(=O)c2cccc(N(C)C)c2)C1	780785171	WDOQTZVQGQYOTH-AAEUAGOBSA-N	304.394	1.885	50	20	DDGD	
C[C@H]1CCCC[C@H]1CCNC(=O)NNC(=O)c1cccnn1	883413062	YBPGIKAIQHSXTR-RYUDHWBXSA-N	305.382	1.637	50	20	DDGD	
CCCOc1cc(OC)ccc1C(=O)NNC(=O)NCC1CC1	789744213	PCYHSUQHVGNNOO-UHFFFAOYSA-N	321.377	1.838	50	20	DDGD	
COCC(=NNC(=O)CCc1ccccc1O)C1CCOCC1	780225861	XPGZISPBGMWRIL-UHFFFAOYSA-N	320.389	1.870	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc(CO)c(F)c1	788264594	FUWVPFOSOHCVTH-UHFFFAOYSA-N	302.305	1.701	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccccc1O)[C@@H]1CCCOC1	780860778	GPEUZKQSXGJFQH-WDEREUQCSA-N	307.350	1.151	50	20	DDGD	
COC(=O)[C@H](NS(=O)(=O)CCCCl)C1CCCCC1	881985184	YFWLRRRFHFOFRE-LLVKDONJSA-N	311.831	1.657	50	20	DDGD	
CO[C@H](C)C(=O)Nc1cccc(NC(=O)NNC(=O)C(C)C)c1	782563533	KLMAZNFXXDXOMG-SNVBAGLBSA-N	322.365	1.469	50	20	DDGD	
CN1CCCC[C@H]1CNC(=O)NNC(=O)c1ccccc1Cl	1123665295	XJLQOCARPHMSOC-NSHDSACASA-N	324.812	1.768	50	20	DDGD	
CO[C@@H]1CCOC[C@H]1NC(=O)NNc1c(F)cc(F)cc1F	898077604	DPIQGDHTBVLSNB-GHMZBOCLSA-N	319.283	1.534	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)co1	780694277	XWSYYKKCKKAFOL-UHFFFAOYSA-N	310.313	1.849	50	20	DDGD	
Cc1cccnc1NNC(=O)NCc1ccnc(N(C)C)n1	791036582	UYXBMJVDKZLNLI-UHFFFAOYSA-N	301.354	1.072	50	20	DDGD	
C=C(CBr)CN1CCCC[C@H](S(C)(=O)=O)C1	791539952	JDMKXTMOMMRYHM-NSHDSACASA-N	310.257	1.837	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CC2)c(C)n1CC(F)(F)F	792931564	IKRTXCKRPZNQFX-UHFFFAOYSA-N	303.284	1.838	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C[C@H]2CCCO2)c2ccccc2n1	799008190	OOQLUGSHCMXLGM-GFCCVEGCSA-N	313.357	1.873	50	20	DDGD	
COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@H](Br)C(C)(C)C	794211388	BDBYVZFSOGUPQD-CIUDSAMLSA-N	324.190	1.908	50	20	DDGD	
COC(=O)[C@H]1CC[C@H](C(=O)NNC(=O)CC2CCCC2)CC1	798108679	FNSUQYWQKAPTCE-JOCQHMNTSA-N	310.394	1.694	50	20	DDGD	
CCCC(O)(CCC)CC(=O)NNC(=O)NCC(F)(F)F	798313124	AUZNIGFZFODBHC-UHFFFAOYSA-N	313.320	1.601	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=Cc1c(C)cnn1C	794863599	GXMZKGZVIRKMPS-UHFFFAOYSA-N	300.362	1.820	50	20	DDGD	
C[C@H]1CC[C@H](CNC(=O)NNC(=O)COc2ccccc2O)C1	793280390	LIVFHGDPMBYJPK-RYUDHWBXSA-N	321.377	1.538	50	20	DDGD	
CCNC(=O)N(C)N=Cc1sc(N2CCOCC2)nc1C	1319961436	CDWUDKZQAPZVEH-UHFFFAOYSA-N	311.411	1.283	50	20	DDGD	
COc1ccc2c(c1)c(C(=O)NN(C)C(N)=O)c(C)n2C1CC1	1319892332	OVZNSQUXIANCHQ-UHFFFAOYSA-N	316.361	1.949	50	20	DDGD	
Cc1ccc2c(c1)CC[C@@H]2NC(=O)NNC(=O)C1CCNCC1	1325353978	FCMMYACWNKTMQI-HNNXBMFYSA-N	316.405	1.312	50	20	DDGD	
COCc1nocc1C(=O)NNc1ccc(C(C)(C)C)nn1	1327190461	RSTVLVYOBFJZNW-UHFFFAOYSA-N	305.338	1.665	50	20	DDGD	
CC(C)c1cccc(CNC(=O)NNC(=O)C2CCNCC2)c1	1327478811	FBEDOJZGJBKTJB-UHFFFAOYSA-N	318.421	1.640	50	20	DDGD	
COc1nnccc1NC(=O)NNC(=O)c1ccccc1Cl	1323449142	BCIRPUDJCYYCPL-UHFFFAOYSA-N	321.724	1.605	50	20	DDGD	
Cc1cc(C)c(C(=O)NNc2cnnn2C)cc1Br	1328636572	KODVYXFPQMJSSQ-UHFFFAOYSA-N	324.182	1.951	50	20	DDGD	
Cc1ncccc1CC(=O)NNC(=O)CCc1ccccc1O	1322933242	DUQCNHPWURTISW-UHFFFAOYSA-N	313.357	1.418	50	20	DDGD	
O=C(C[C@H]1C=CCCC1)NNC(=O)c1n[nH]c2c1CCCC2	1320584715	QMKCNWACFJEECJ-NSHDSACASA-N	302.378	1.796	50	20	DDGD	
Cc1nc([C@H]2CCOC2)sc1C(=O)NNc1cccnn1	1331945727	CIGXNZAADHEHLU-VIFPVBQESA-N	305.363	1.502	50	20	DDGD	
O=C1NCCCN1NS(=O)(=O)c1ccc(CCl)cc1	1335138103	ZYGXWEAJCRMZFJ-UHFFFAOYSA-N	303.771	1.034	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H]1COc2c(F)cc(F)cc2C1	1337518123	XETXUAIIQHVDHY-UMAGTOLTSA-N	308.284	1.828	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2cccnn2)CN1Cc1ccccc1	1330908283	MAYMSMQRVXIQFS-CYBMUJFWSA-N	309.373	1.857	50	20	DDGD	
COCCCNC(=O)NNC(=O)C1(Sc2ccccc2)CC1	1253483678	GWNJBTQZBQOJGZ-UHFFFAOYSA-N	323.418	1.678	50	20	DDGD	
COc1cc(NNC(=O)[C@H]2CN3CCN2C[C@H]3C)ccc1Cl	1348577665	RXXKDMNSRFKUKY-ZWNOBZJWSA-N	324.812	1.180	50	20	DDGD	
CC(C)CN(CC(=O)NNC(=O)c1ccc(C#N)cc1)C(C)C	1345023190	GOKOULAOYFLPRV-UHFFFAOYSA-N	316.405	1.686	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1nc(C2CC2)cs1	1349175612	JDVJNQIMYNVWQU-UHFFFAOYSA-N	302.359	1.419	50	20	DDGD	
CCC(C)(C)CNC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1351173129	BNGOQSKVGVXIFY-TVQRCGJNSA-N	319.243	1.829	50	20	DDGD	
COCCN(CC(C)C)NC(=O)c1coc(/C=C/C(=O)O)c1	1604597813	NJKUAZBNWHXQNN-SNAWJCMRSA-N	310.350	1.627	50	20	DDGD	
O=C(NCC[C@H]1CCOC1)NNc1ccc(C(=O)O)cc1F	1601492301	MVVZJEPAUIPVGD-VIFPVBQESA-N	311.313	1.577	50	20	DDGD	
O=C(COc1ccc(O)cc1)NNc1cccc(C(=O)O)c1F	1608350438	PUNIXNWEAPIHTL-UHFFFAOYSA-N	320.276	1.752	50	20	DDGD	
CC(=NNC(=O)CCc1ccco1)c1ccccc1-c1nn[nH]n1	1602907373	ZVHOYLSOUMXNOS-UHFFFAOYSA-N	324.344	1.933	50	20	DDGD	
CC1(C=NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)CC1	1609148892	PPNHOIRCUQMQJL-UHFFFAOYSA-N	300.322	1.148	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2cc(C(=O)O)c(C)n2C)c(O)c1	1610484713	AEWROVLUBBYKJZ-UHFFFAOYSA-N	315.329	1.810	50	20	DDGD	
CC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)S)C2	1800077471	OFSGSNHBUUJBMH-SVNGYHJRSA-N	318.870	1.960	50	20	DDGD	
Cc1cccc(S(=O)(=O)NNC(=O)OC(C)C)c1C(=O)O	1610526490	CFCPIKMTORQRCA-UHFFFAOYSA-N	316.335	1.021	50	20	DDGD	
O=C(NN=C1CCCc2occc21)[C@H]1CN2CCC[C@@H]2CO1	1549319011	FVAZOCDMWMJFHS-IAQYHMDHSA-N	303.362	1.299	50	20	DDGD	
CC(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(Cl)Cl	1801015801	JTCUPPINACWOOH-ILWJIGKKSA-N	323.220	1.036	50	20	DDGD	
O=C(NNc1ccc(F)cc1Br)[C@H]1COCCN1	1574334715	UYFFTRLJRRVJMM-SNVBAGLBSA-N	318.146	1.020	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@]2(C)CCCNC2)cc1	1579735678	YZEAPQFZVQYLJW-MRXNPFEDSA-N	321.446	1.624	50	20	DDGD	
C=C(CBr)CN1C[C@@H](C(=O)O)CC[C@@H]1C(=O)OC	1588605164	AURAGIITKOXBDO-VHSXEESVSA-N	320.183	1.276	50	20	DDGD	
CC1(C)C[C@]1(C(=O)O)C(=O)NNC(=O)Cc1ccc(F)cc1	1589220058	UTTJTZIYPKTHOR-OAHLLOKOSA-N	308.309	1.017	50	20	DDGD	
N#Cc1ccc(NNC(=O)C2=CCNCC2)c(C(F)(F)F)c1	1580070517	ZUVCLKMHZFWIPG-UHFFFAOYSA-N	310.279	1.940	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H]1C[C@@H]1F)C2	1845167248	QJSMVKCWNHPFKS-DCAQKATOSA-N	302.777	1.565	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H]1CC1(F)F)C2	1845165156	XWFLKTQAPTYBGQ-VHSXEESVSA-N	320.767	1.862	50	20	DDGD	
CC(C)(CCl)C(=O)N1CCCC12CN(C(=O)C1(F)CC1)C2	1841227801	YQWMVTOHCHXXRN-UHFFFAOYSA-N	316.804	1.957	50	20	DDGD	
O=C(c1cnco1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](F)Cl	1847924790	FGGOATHIQLNZBK-OYNCUSHFSA-N	301.705	1.024	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CCC(CC(=O)O)CC1	1595115672	FIHUEGOXICYRGZ-UHFFFAOYSA-N	311.382	1.428	50	20	DDGD	
CC(C)(CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1(C#N)CC1	1847435307	ADMAOWROZSABAM-RYUDHWBXSA-N	323.824	1.757	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C1(C(=O)O)CCCCCC1	1594551652	PKRVOOXABIYGRF-UHFFFAOYSA-N	307.350	1.211	50	20	DDGD	
COCc1nocc1C(=O)NNc1ccc(F)c(C(=O)O)c1	1599307695	WBVCYHUCIJNUDP-UHFFFAOYSA-N	309.253	1.415	50	20	DDGD	
CC[C@@H](C(=O)O)C(=O)NNc1ccc(Br)nc1	1594755602	NKBNZYKPEMUHAK-SSDOTTSWSA-N	302.128	1.398	50	20	DDGD	
CC1(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)CC=CC1	1590068371	IWVHZDBTJIXVIR-UHFFFAOYSA-N	319.756	1.715	50	20	DDGD	
CCc1ccc(NNC(=O)Nc2cc(C(=O)O)n(C)n2)cc1	1597551451	HETWNNPPUAMKAV-UHFFFAOYSA-N	303.322	1.829	50	20	DDGD	
CCCN1CC[C@H](NC(=O)NNc2cccc(C(=O)O)c2C)C1	1595907264	WJFIMHSMMQJZFS-LBPRGKRZSA-N	320.393	1.804	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)c1c(Cl)cccc1C(=O)O	1590938281	AZZOVWRKSZODQA-UHFFFAOYSA-N	320.754	1.004	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)cc(C)c1/C=C(\C#N)C(=O)NC(C)C	1591838598	FAONMBGYMCJFAJ-NTUHNPAUSA-N	310.361	1.915	50	20	DDGD	
COc1cc(C(=O)O)ccc1C=NNC(=O)[C@@H]1CCO[C@H]1C	1776082277	GVYLYOZZZDSDAK-JOYOIKCWSA-N	306.318	1.269	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2ccc(C(=O)O)cc2)CC[C@@H]1C(=O)O	1776101076	PKEOJHHWLSHGJK-RNCFNFMXSA-N	318.329	1.991	50	20	DDGD	
O=C(O)COc1ccc(C=NNC(=O)c2ccc(O)nc2)cc1	1776094338	NPFGJEWQXCWPDG-UHFFFAOYSA-N	315.285	1.015	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl)[C@@H]1CCCO1	1796810442	PYFJXZRCDQWNBT-OSUNSFLBSA-N	318.776	1.338	50	20	DDGD	
CCc1ccc(C(=O)NNS(=O)(=O)c2ccccc2)cc1	16097688	CHRBRXKCJMJJNH-UHFFFAOYSA-N	304.371	1.872	50	20	DDGD	
Cc1cc(NNC(=O)Cc2cccc([N+](=O)[O-])c2C)nc(C)n1	161795791	AQDFRKORHQLPHT-UHFFFAOYSA-N	315.333	1.996	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNc1ncnc2nc[nH]c12	162267963	HRDIIXKUOAGPLI-ZETCQYMHSA-N	314.353	1.330	50	20	DDGD	
CCCC[C@@H](NC(N)=O)C(=O)NNc1ccc([N+](=O)[O-])cc1	151215051	CGJBIILLJVJEKN-LLVKDONJSA-N	309.326	1.265	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc(-n3ccnn3)c2)o1	155621912	VBHBQNUULAOEDV-UHFFFAOYSA-N	311.301	1.244	50	20	DDGD	
CSCCNC(=S)NNC(=O)Cc1ccccc1F	154138070	IJHLEWIDWFVYOD-UHFFFAOYSA-N	301.412	1.227	50	20	DDGD	
CC(=O)N1CCc2cc(NC(=O)NNc3ncccn3)ccc21	154271403	ZAJOEOOMHKQIPG-UHFFFAOYSA-N	312.333	1.534	50	20	DDGD	
COc1ccc(NNC(=O)Cc2cccc([N+](=O)[O-])c2C)nc1	159489582	HFTIASLLKMXZAK-UHFFFAOYSA-N	316.317	1.993	50	20	DDGD	
O=S(=O)(NC[C@@H]1COCCO1)c1ccc(CCCl)cc1	38062392	HLKAOXXUYCOCCJ-GFCCVEGCSA-N	319.810	1.162	50	20	DDGD	
CC(=O)N[C@H]1C[C@H](Br)C(=O)[C@H](Br)C1	2048531980	UNRCHFJOOQIGJW-POBXSPIYSA-N	312.989	1.381	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)COc1ccc(F)cc1	7542176	KUWQQZXQPYVBRY-UHFFFAOYSA-N	316.332	1.903	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)Cc1c[nH]c2ccccc12)N(C)C	106455336	GSXQRXSZKSSJRY-MRXNPFEDSA-N	316.405	1.444	50	20	DDGD	
O=C(C=C1CCCCC1)NNC(=O)[C@H]1COc2ccccc2O1	55524928	XJNPKPMVUJIBFL-OAHLLOKOSA-N	316.357	1.864	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Cc2ccc(Cl)cc2)n1	8292335	PSACANFTOWNTFD-UHFFFAOYSA-N	320.780	1.543	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cscn2)cc1	103000124	SHPOZCRKKZNQIV-UHFFFAOYSA-N	305.359	1.546	50	20	DDGD	
CCOC(=O)NCC(=O)NNc1ccccc1Br	178839634	FUNPCFXKHDPNTB-UHFFFAOYSA-N	316.155	1.638	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)cc1	119622912	IVHVZFVEJZAYQQ-UHFFFAOYSA-N	323.287	1.651	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNC(=O)c1ccccc1F)C1CCCC1	53461678	YOJCHVUPRZXVGK-CQSZACIVSA-N	321.352	1.282	50	20	DDGD	
O=C(COC[C@@H]1CCCO1)NNc1ccc(F)c(F)c1F	103275122	KBMXYKZYBSSOGB-QMMMGPOBSA-N	304.268	1.743	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NC[C@H]2COCCO2)cc1	65656995	GRUQPHCENMKUIZ-MBSJSRAVSA-N	316.357	1.524	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cn1ccc2cc(OC)ccc21	68266341	LDJLUYJRQGJRQT-UHFFFAOYSA-N	318.377	1.780	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)CCC1CC1	115001532	MNCUQAGZMYPVHX-UHFFFAOYSA-N	306.362	1.802	50	20	DDGD	
N#Cc1cccc(CNC(=O)NNc2ccc(Cl)nn2)c1	125432513	MEMJVSLKKCXKJI-UHFFFAOYSA-N	302.725	1.828	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)C(C)(C)C)cc1C	78984073	FNWQJAFTMVPQEU-UHFFFAOYSA-N	300.380	1.359	50	20	DDGD	
CCn1cc(NC(=O)C(=O)NNc2c(C)cccc2F)cn1	187450259	YDAZBXBPWDYKMO-UHFFFAOYSA-N	305.313	1.432	50	20	DDGD	
CC(=O)N1CCC[C@H]1C(=O)NNc1ccc(C#N)c(Cl)c1	182382727	QZUVAOAXAOSOBK-ZDUSSCGKSA-N	306.753	1.666	50	20	DDGD	
C[C@H](C[S@@](C)=O)NC(=O)NNC(=O)c1cccc(Cl)c1	183607867	XEBLRWOWBBJUPI-ZPWHCFADSA-N	317.798	1.051	50	20	DDGD	
CC(C)[C@@H]1CCC[C@H](NC(=O)NNC(=O)C(=O)NC2CC2)CC1	187442336	LEEZUPCQAIQBML-NEPJUHHUSA-N	324.425	1.200	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)c1cccc(N(C)C)c1	183715970	BHYQHUSGQJLZNI-UHFFFAOYSA-N	307.394	1.576	50	20	DDGD	
Cc1csc(NC(=O)C(=O)NNc2c(F)cccc2F)n1	186302947	FPYXNOSLYBDJSR-UHFFFAOYSA-N	312.301	1.812	50	20	DDGD	
CCOC(=O)[C@@H](CC(C)C)NNC(=O)Cc1ccc(F)cc1	180959101	UXEWAUBNBZUAHM-CQSZACIVSA-N	310.369	1.967	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)c1ccc(O)nn1	78408807	LDUWFMCCKSBDFY-UHFFFAOYSA-N	322.324	1.339	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNc1ccc([N+](=O)[O-])cc1	134075618	RVAUEXDLQMKYPS-UHFFFAOYSA-N	308.338	1.734	50	20	DDGD	
Cc1n[nH]nc1C(=O)NNc1ccc(Br)c(F)c1	194508848	XHQREIYNOZZBRL-UHFFFAOYSA-N	314.118	1.772	50	20	DDGD	
CC(C)c1cnc(NC(=O)NNC(=O)Cc2cc[nH]n2)s1	192400515	OUAMCVLQSVDMLY-UHFFFAOYSA-N	308.367	1.385	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCCc1ccccc1F	83154863	VGYWVCNDMBBFIB-UHFFFAOYSA-N	316.336	1.336	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](C(=O)OCC)c1ccccc1	194710022	FLDJCVGXMJNZPZ-YPDDLIOESA-N	302.330	1.851	50	20	DDGD	
CC(C)(C)OC(=O)CNC(=O)/C(C#N)=C\c1ccc(O)cc1	194622256	DUMUSVXZFBHRNT-WQLSENKSSA-N	302.330	1.757	50	20	DDGD	
Cc1ccc2oc(C(=O)NNC(=O)Cc3ccncc3)cc2n1	81027798	LSZZOSJQZQPWNY-UHFFFAOYSA-N	310.313	1.535	50	20	DDGD	
O=C(CCc1ccc(Cl)cc1)NNC(=O)N1CCOCC1	194900033	QYXYPICNMRVLOV-UHFFFAOYSA-N	311.769	1.346	50	20	DDGD	
Cc1[nH]c2ccccc2c1CC(=O)NNC(=O)c1ccncc1	193128192	MKZPJRLRKDKSDU-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccccc2)c(C(C)(C)C)n1	92234686	NYWDUJYBPPLECF-UHFFFAOYSA-N	300.362	1.792	50	20	DDGD	
CS[C@H](C)CNC(=O)NNC(=O)COCc1ccccc1	269861171	WAMZQAGHFHDLFH-LLVKDONJSA-N	311.407	1.285	50	20	DDGD	
CC[C@H](C(=O)NNc1nc(-c2ccncc2)no1)N(CC)CC	266825037	KJYIOXLEUOZSJK-GFCCVEGCSA-N	318.381	1.695	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccnc(Br)c1	268125200	CRMGNRZPOPZXLH-UHFFFAOYSA-N	300.156	1.651	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NNc1c(F)cccc1F	265454879	LVZUQCXEQJJLLA-ZJUUUORDSA-N	300.305	1.992	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)CNc1cccc(OC)c1	264031359	SKVBHGJAAHWCEQ-GFCCVEGCSA-N	321.377	1.236	50	20	DDGD	
C[C@@H](NC(=O)C1CCCC1)C(=O)NNc1ccc(Cl)nn1	265569744	WNBUYTNYGOFHFV-MRVPVSSYSA-N	311.773	1.268	50	20	DDGD	
COCC1(CNS(=O)(=O)CCCCCl)CCOCC1	366224968	DMVHYASKVWVDCX-UHFFFAOYSA-N	313.847	1.368	50	20	DDGD	
C[C@H]1C[C@H](CNC(=O)NNC(=O)c2ccc(C#N)cc2)CCO1	271571215	XDZNCWFTDQQSGO-WCQYABFASA-N	316.361	1.317	50	20	DDGD	
Cc1ncccc1C(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C	273303263	URGOVGXIYHCGMZ-SNVBAGLBSA-N	322.365	1.064	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H](CC2CCC2)NC(C)=O)c1	279767351	FQZCAIZFHVHUFT-OAHLLOKOSA-N	323.368	1.972	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)CC(C)(F)F)o1	277142229	VWNPTHUPPYSUCC-UHFFFAOYSA-N	317.336	1.928	50	20	DDGD	
CCOC[C@@H](NC(=O)NNc1nc2ccccn2n1)C(C)C	276678375	FCLLLOJOTPSISK-LLVKDONJSA-N	306.370	1.417	50	20	DDGD	
CS[C@@H](C)CC(=O)NNC(=O)[C@H]1COc2ccccc2O1	270128278	MWALUEQCODFSAV-JOYOIKCWSA-N	310.375	1.115	50	20	DDGD	
CO[C@H]1CCC[C@H](CC(=O)NNC(=O)Cc2ccncc2)C1	279995329	RSMQLMAWAUYYQB-KBPBESRZSA-N	305.378	1.367	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@H]2CCCCS2)c1O	272978133	OLAJDSWPYFKDJI-LLVKDONJSA-N	310.375	1.448	50	20	DDGD	
CCCc1c(C(=O)NN(C)C(=O)OC)[nH]c(C)c1C(=O)OC	286510486	WYQSMVBMKDIRSY-UHFFFAOYSA-N	311.338	1.405	50	20	DDGD	
CO[C@H]1CCC[C@H](CC(=O)NNC(=O)Cn2nc(C)cc2C)C1	280364436	UVTXIIFROARGFT-KBPBESRZSA-N	322.409	1.243	50	20	DDGD	
N#CCc1cccc(C(=O)NNC(=O)NCC(F)(F)F)c1	281254212	OLZOBOFCWCORTE-UHFFFAOYSA-N	300.240	1.259	50	20	DDGD	
CC(C)(C)OC(=O)NNS(=O)(=O)c1ccccc1CC#N	280009817	SXHQLQNRKTYSDT-UHFFFAOYSA-N	311.363	1.471	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc2oc(=O)[nH]c2c1)C1CC1	287199843	UUEKDZIXNHKSMD-SSDOTTSWSA-N	320.374	1.029	50	20	DDGD	
CN(NC(=O)Cc1cn2ccccc2n1)C(=O)OC(C)(C)C	297795573	VTPSMVPWNFHAHD-UHFFFAOYSA-N	304.350	1.775	50	20	DDGD	
CCC(CC)(CNC(=O)NNc1ccc(Cl)nn1)OC	293842519	WXYJQUSLOCKTIY-UHFFFAOYSA-N	301.778	1.961	50	20	DDGD	
CCOc1cc2c(cc1NC(=O)NNC(=O)OC)O[C@H](C)C2	298433646	AAWCQAOLEMIMJU-MRVPVSSYSA-N	309.322	1.801	50	20	DDGD	
C[C@@H](Cc1cncc2ccccc12)C(=O)NNC(=O)NC1CC1	805170099	AAJBFDZXGLAMNW-NSHDSACASA-N	312.373	1.906	50	20	DDGD	
CC(C)C(=O)N[C@@H](CO)C(=O)NNc1ccc(C(C)(C)C)cc1	291770730	WHUANECLXWFXNH-AWEZNQCLSA-N	321.421	1.560	50	20	DDGD	
O=C(Cc1c[nH]c2cc(F)ccc12)NNC(=O)[C@H]1CCCCO1	295365889	JQXSBVIYOVTROU-CQSZACIVSA-N	319.336	1.566	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H](C)Oc2ccc(C=O)cc2)n1	803081550	RSEKPQYJWKDGIK-LLVKDONJSA-N	315.329	1.813	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNc2nccnc2Cl)cn1	806865351	XIGRNQAWRBJOEY-UHFFFAOYSA-N	306.757	1.974	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNC(=O)c2ccccc2O)cn1	806344226	CKMJAFXFEAEDHR-UHFFFAOYSA-N	314.345	1.555	50	20	DDGD	
CN(C)c1cc(C(=O)NNC(=O)NC2CCCCC2)ccn1	298652872	KVEPLPKYGNIFHD-UHFFFAOYSA-N	305.382	1.424	50	20	DDGD	
C#Cc1cncc(C(=O)NNC(=O)CCc2ccc(OC)cc2)c1	806569594	WVTKZCJGCOBTDF-UHFFFAOYSA-N	323.352	1.465	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H]1CCn2cncc2C1	805378426	QUCSXEIETNHWBX-NSHDSACASA-N	315.333	1.805	50	20	DDGD	
COCCCONC(=O)NNC(=O)Nc1cc(F)cc(F)c1	297992904	NLKIHEZTMVVMFJ-UHFFFAOYSA-N	318.280	1.269	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1C[C@@H]1c1cc(OC)ccc1OC	293583393	JWUGXOGYYQXUQS-TZMCWYRMSA-N	308.378	1.417	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C/c1c(C(=O)OC)nn(C)c1C	291928998	ODHGQALXQWBBSZ-JXMROGBWSA-N	311.363	1.204	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H](C)C(=O)N(C)CC)cc1	298143371	AOGWHHPCCHLRQT-LLVKDONJSA-N	308.382	1.578	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](C(N)=O)[C@@H](C)c1ccccc1	293594947	AKNHZKBLJNIQDS-WZGUMSMMSA-N	301.346	1.204	50	20	DDGD	
COc1ccc2c(c1)C[C@H](C(=O)NNC(=O)CC1CC1)CO2	294208036	PUULYNYQSCNBGE-LBPRGKRZSA-N	304.346	1.194	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2CCC2(C)C)cc1OC	804891983	KLBSQDWMENJVED-ZDUSSCGKSA-N	321.377	1.836	50	20	DDGD	
CC/C(C)=C(/C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	801105963	MZBVONKZEVGUIF-QXMHVHEDSA-N	303.362	1.827	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)[C@@H]1CCCCO1)n1cnc2ccccc21	295640905	UAQTUOIBHAVOKB-FZMZJTMJSA-N	316.361	1.314	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)C(=O)Nc1ccc(F)cc1	815728578	KGLNDVDIUUVACH-UHFFFAOYSA-N	308.700	1.956	50	20	DDGD	
CCc1c(C(=O)NNc2cnnn2C)cnn1-c1ccccc1	816772037	KTBZJMSWHUPJQM-UHFFFAOYSA-N	311.349	1.320	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)Nc2ccc(C(=O)O)cc2)C1	819809050	ZQRPMLOIEZFZSY-UHFFFAOYSA-N	319.317	1.835	50	20	DDGD	
CCS(=O)(=O)CC(=O)NNc1cc(Cl)nc(Cl)c1	819742754	FAKZAASVCGAJRD-UHFFFAOYSA-N	312.178	1.266	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNc2cccc(OC)n2)nc1	816014074	MCDQVSUCJRTFNV-UHFFFAOYSA-N	316.317	1.419	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(Br)o1	814864406	COVDZEHTCUSPEY-MRVPVSSYSA-N	319.155	1.544	50	20	DDGD	
CC(=NNC(=O)c1c(C)nc2ccccn12)c1cc(CO)on1	812222404	NZDXDXQAYXWZHG-UHFFFAOYSA-N	313.317	1.277	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=C1CCOc2c(Cl)cccc21	814695192	QQADFHKZGYWNKP-UHFFFAOYSA-O	316.768	1.931	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cn(C)nc2C2CCC2)n1	819880997	AASDYGNQJGXUPK-UHFFFAOYSA-N	315.381	1.301	50	20	DDGD	
O=C(NN=Cc1cc(O)cc(C(F)(F)F)c1)c1cnccn1	811636519	HLTYTZZHAPMOKI-UHFFFAOYSA-N	310.235	1.965	50	20	DDGD	
CC(=NNC(=O)COc1cc(C)cc(C)c1)c1cnnn1C	814718925	PUQSHZZLJZIZDF-UHFFFAOYSA-N	301.350	1.351	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1ccc2c(c1)COC2	728509093	FNXDIZZNPCLDEF-UHFFFAOYSA-N	312.391	1.463	50	20	DDGD	
CC(=NNC(=O)CCNC(=O)OC(C)(C)C)c1ccnn1C	495911405	OKYBZDFWZUCMPG-UHFFFAOYSA-N	309.370	1.175	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC(F)(F)F)c(N)c([N+](=O)[O-])c1	729523348	AFEFCWZGHBSZNF-UHFFFAOYSA-N	320.227	1.199	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@@H]2CCO[C@H]2c2ccccc2)cn1	491128731	FADOGSHUTIUXDZ-PETGEZQVSA-N	322.368	1.973	50	20	DDGD	
O=S(=O)(CCl)NC[C@H](c1ccccc1)N1CCOCC1	820783999	WAZVETBALRAOGD-CYBMUJFWSA-N	318.826	1.176	50	20	DDGD	
C[C@H]1OC(=O)N[C@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	497120657	RLTJVRVUEQFIBG-MLUIRONXSA-N	314.685	1.188	50	20	DDGD	
CN(C[C@@H]1CCCC[C@H]1O)C(=O)/C(C#N)=C/c1cnn(C)c1	491010479	MLMWBTQIONQYHI-CTXSEGDPSA-N	302.378	1.337	50	20	DDGD	
CCCNC(=O)NNC(=S)Nc1ccc(OC)c(F)c1	726480189	FDZCPPZMYJLJRR-UHFFFAOYSA-N	300.359	1.745	50	20	DDGD	
CC[C@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)N(CC)CC	825039847	XGIQDSYPZIKSDN-CYBMUJFWSA-N	317.397	1.430	50	20	DDGD	
O=S(=O)(CCl)NCc1ccc(OCC(F)(F)F)nc1	829980482	WSDQFLBNPDAVAA-UHFFFAOYSA-N	318.704	1.638	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)c1ccc(O)c(Cl)c1	491818231	XSFZPHKISCMLJL-UHFFFAOYSA-N	302.721	1.639	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H]2COC(=O)C2)cc1	820078903	VPTFAWQEKCAFBR-OTAKNEKHSA-N	300.314	1.424	50	20	DDGD	
CCCN(CCc1cccc(F)c1)CC(=O)NNC(=O)C(C)C	827821811	WLCXOFUIWSPJQQ-UHFFFAOYSA-N	323.412	1.884	50	20	DDGD	
CO[C@H]1c2ccccc2C[C@H]1NC(=O)/C(C#N)=C\c1cnn(C)c1	491052569	VWNXKDZEJDBVCX-ZMMMRQAWSA-N	322.368	1.756	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)[C@@H]1C[C@@H]1C1CC1	495352042	JFEKGROWMWCRSH-GHMZBOCLSA-N	311.382	1.095	50	20	DDGD	
COC(=O)Nc1cccc(CNC(=O)NNC(=O)C(C)C)c1	495704731	AZCHMHGJIORZPD-UHFFFAOYSA-N	308.338	1.351	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccc(C(F)(F)F)cn1	728852145	OJJCFPXSURKALW-UHFFFAOYSA-N	324.262	1.499	50	20	DDGD	
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NNC(=O)COCc1ccccc1	828319544	OAWXZNXGPRSSJU-ZIAGYGMSSA-N	320.389	1.554	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CC(C)(C)[C@@H]3COC[C@@H]32)cn1	491104313	NMHPCSJAKFLVDS-UEELJDNFSA-N	300.362	1.210	50	20	DDGD	
C[C@H](CCC1CCCC1)NC(=O)c1cc(B(O)O)ccc1F	584948201	APRZKCUYCYWCFU-LLVKDONJSA-N	307.174	1.594	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cc(C)c(C)cc1Cl	496785714	OHTIISPSSAVAQU-UHFFFAOYSA-N	313.741	1.673	50	20	DDGD	
CCCCO[C@@H]1C[C@@H](NCC(=O)NNC(=O)C2CC2)C1(C)C	829678003	VSXMWWSOPCIYHG-CHWSQXEVSA-N	311.426	1.117	50	20	DDGD	
O=C(c1csc(-c2ccccc2F)n1)N1CC[C@@H](B(O)O)C1	585068660	DBBKLVARGXGYSN-SECBINFHSA-N	320.154	1.638	50	20	DDGD	
COC(=O)COc1ccccc1C=NNC(=O)NC1CCCC1	901177116	PBZFNYVBIBJLLD-UHFFFAOYSA-N	319.361	1.814	50	20	DDGD	
COC(=O)CC(=O)NNC(=S)Nc1ccccc1C(C)C	907861019	RSPJCCGOENRHGU-UHFFFAOYSA-N	309.391	1.691	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC[C@@H]2CC2(C)C)cc1	732892635	GGLWZIKYUCQALM-LBPRGKRZSA-N	305.378	1.750	50	20	DDGD	
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2ccc(B(O)O)cc2)C1	584950163	PXZIPFNTUZPKHX-GOEBONIOSA-N	323.201	1.693	50	20	DDGD	
CCCNC(=O)/C(C#N)=C/c1ccc(OCC(=O)OC)cc1	490878578	OPUGHTZMRLXGQG-UKTHLTGXSA-N	302.330	1.672	50	20	DDGD	
O=C(NNc1cnccn1)c1nc(N2CCCC2)ncc1Cl	734242560	KSTIIAZVYXNLJD-UHFFFAOYSA-N	319.756	1.277	50	20	DDGD	
CS[C@@H]1CCC[C@@H](NC(=O)NNC(=O)[C@@H]2CCCCO2)C1	838480767	CNMKVRVKTKNPTP-UTUOFQBUSA-N	315.439	1.560	50	20	DDGD	
CSc1ccc([C@H](C)NCc2ccc(B(O)O)cc2)cc1	585038807	HYAFJAVZKORKQH-LBPRGKRZSA-N	301.220	1.939	50	20	DDGD	
COC[C@H](OC)C(=O)NNc1nc2ccc(OC)cc2cc1C	831807324	RXKKKTWUYVIGPB-AWEZNQCLSA-N	319.361	1.656	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc(Cl)s1	901967269	YPPJDFURVWZNMY-UHFFFAOYSA-N	306.796	1.515	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@]2(C)CCCCO2)nc1C	837516365	DYTNQQUOTXRKQG-OAHLLOKOSA-N	322.365	1.364	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCc1ccccc1S(C)(=O)=O	830530570	VXULNUBIRRHTBX-ACCUITESSA-N	322.386	1.193	50	20	DDGD	
C[C@@H]1CSCCN1C(=O)NNC(=O)c1cccc(C#N)c1	738476117	SFQAWLGVNBQCNT-SNVBAGLBSA-N	304.375	1.350	50	20	DDGD	
C[C@@]1(C(=O)N2CCOC3(CCOCC3)C2)C[C@H]1Br	907058169	VNKOSEAPDJEJCP-ZYHUDNBSSA-N	318.211	1.568	50	20	DDGD	
CC(C)n1ncc2c1[C@@H](NCc1ccc(B(O)O)cc1)CCC2	585036906	SDLYAYFSCDESGZ-INIZCTEOSA-N	313.210	1.311	50	20	DDGD	
Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(B(O)O)cc2)s1	584947064	FOADLUWTRSGDBU-AWEZNQCLSA-N	315.203	1.714	50	20	DDGD	
Cc1cccc2c1CC[C@@H]2NC(=O)NNC(=O)[C@@H]1CCCCO1	838318063	MMKWRISHJADCAD-GJZGRUSLSA-N	317.389	1.882	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccc(Cl)nn2)c1C(F)F	735685768	BEQQQBRREKLTPF-UHFFFAOYSA-N	302.672	1.558	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CC2CCN(C)CC2)c(F)c1	837207569	PUOMURQTGBQJQG-UHFFFAOYSA-N	323.368	1.787	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cc(F)ccc1N1CCOCC1	730770605	BWWHQYBPCZDBRM-UHFFFAOYSA-N	323.368	1.469	50	20	DDGD	
C[C@@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)[C@@H]2CCCC[C@@H]12	584927614	AAXNNRAMIKVOPL-PVXIVEMSSA-N	319.185	1.546	50	20	DDGD	
CCc1nnc(CNC(=O)[C@]2(C)C[C@@H]2Br)s1	908300510	MQXGVLCFSDJVPZ-QUBYGPBYSA-N	304.213	1.890	50	20	DDGD	
O=C(N1CC[C@@H](B(O)O)C1)C1(c2ccccc2F)CCCC1	585072366	MIIRZQCALGDBBW-GFCCVEGCSA-N	305.158	1.713	50	20	DDGD	
CC[C@@H](Cc1ccccc1C)C(=O)Nc1cccc(B(O)O)c1	584910564	CFZUBIYWJMTAOL-AWEZNQCLSA-N	311.190	1.882	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@@H](C)CCN(C)C)cc1	836349619	UCLZJRPPJBAOOV-NSHDSACASA-N	323.397	1.371	50	20	DDGD	
COC(=O)[C@@H]1CN(C)CCN(/C(=C\C#N)c2ccc(F)cc2)C1	839630921	RTUGBPHSUDTBSQ-WYLIHXSISA-N	317.364	1.727	50	20	DDGD	
C[C@H](C1CC1)n1cc(NC(=O)NNc2ncncc2F)cn1	836548348	QLMANALECFMRAJ-MRVPVSSYSA-N	305.317	1.932	50	20	DDGD	
CCCCNC(=O)[C@@H]1CC[C@H](C)N(S(=O)(=O)CCl)C1	830161102	MNLFSOGROUAJHN-WDEREUQCSA-N	310.847	1.529	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@]2(C)CCCCO2)cc1	837311047	QUZYDAQOVRGSJS-MRXNPFEDSA-N	306.362	1.480	50	20	DDGD	
O=C(NNC(=O)c1ccccc1-n1cccn1)c1ccncc1	916031745	KWGRZOPKXZSDDP-UHFFFAOYSA-N	307.313	1.342	50	20	DDGD	
O=C(Cc1ccccc1OC(F)F)NNC(=O)c1ccccn1	735647046	RWTAVCZPXXDYDV-UHFFFAOYSA-N	321.283	1.687	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cccn1C)C(=O)OC(C)(C)C	734419556	YRZGRFUWSOJXCJ-UHFFFAOYSA-N	324.381	1.043	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2CCN3CCC[C@@H]3C2)n1	916573326	KVQSYLDDOJYZFD-QWHCGFSZSA-N	304.398	1.346	50	20	DDGD	
C[C@H](NS(=O)(=O)CCl)C1(N2CCOCC2)CCCC1	830828726	YGNDPGPHLOBYPI-NSHDSACASA-N	310.847	1.136	50	20	DDGD	
C[C@H](C(=O)O)n1cccc1C=NNC(=O)Cc1ccc(F)cc1	833407137	LDCKQXWGUDDOIE-LLVKDONJSA-N	317.320	1.966	50	20	DDGD	
CC(=NNC(=O)CC1CC1)c1cn(CC(=O)OC(C)(C)C)nn1	834983404	OXXSEDMWAZGIPA-UHFFFAOYSA-N	321.381	1.260	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)c2ccc(C#N)cc2)cc1C1CC1	742057557	BNGNUFIOWMCROV-UHFFFAOYSA-N	309.329	1.244	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC[C@@H](n2ccnn2)C1	911828993	CZCBHZHUYYXZTC-ZJUUUORDSA-N	315.215	1.861	50	20	DDGD	
CC(=NNC(=O)C(C)C)c1ccc(S(C)(=O)=O)c(F)c1	741756935	TUXUOAUFEQNYKF-UHFFFAOYSA-N	300.355	1.725	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CCn2cccn2)cc1	846370088	ARASMVVOKDQVES-UHFFFAOYSA-N	302.334	1.132	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCOCc1ccccc1	843647267	SOABDGFQYNJJFS-JSGCOSHPSA-N	306.362	1.166	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CNC2(C3CCC3)CC2)cc1	844417743	MOKODTXBZUZFCM-UHFFFAOYSA-N	312.373	1.242	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@H](C)C(=O)OC(C)(C)C)n1	848666822	DWQODYHQTJVQLL-JTQLQIEISA-N	324.381	1.694	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc3nc(O)[nH]c3c2)n1	748336736	YHJWVPZASVMHLO-UHFFFAOYSA-N	318.724	1.777	50	20	DDGD	
COCCN(C)NC(=O)c1nc(F)ccc1Br	848055745	GWMUELFTUNBRSQ-UHFFFAOYSA-N	306.135	1.206	50	20	DDGD	
O=C(NC[C@@H]1CCC[C@H]1C1CC1)NNC(=O)[C@@H]1CCCCO1	840393140	UIHDBOMUWUAKGO-IHRRRGAJSA-N	309.410	1.712	50	20	DDGD	
CCO[C@H](CC)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	919972891	WKRUFVTVOIGGCG-CYBMUJFWSA-N	310.350	1.280	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H]2C[C@]23CCc2ccccc23)nc1O	743295809	RNOHFCXIIAKAHO-LRDDRELGSA-N	311.345	1.233	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2c(c1)CCCC2=O	843660954	NAXRHXCMQZIMFY-GXFFZTMASA-N	316.357	1.392	50	20	DDGD	
Cc1csc(C(=O)NN(C)C[C@H](C)O)c1Br	910152775	OCFFGTCYKLXUME-ZETCQYMHSA-N	307.213	1.776	50	20	DDGD	
CCC(=O)C1(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)CC1	843871553	MHGYLPSNYHZFDN-UHFFFAOYSA-N	318.377	1.983	50	20	DDGD	
O=C(NN=C1CCCOc2ccc(F)cc21)N1CCOCC1	745590629	CDBGYYICKJAUMD-UHFFFAOYSA-N	307.325	1.744	50	20	DDGD	
O=C1C[C@H](CNC(=O)NNc2cc(Cl)ccc2Cl)CN1	840397976	WQWIUURBUABWQO-ZETCQYMHSA-N	317.176	1.756	50	20	DDGD	
CCc1nn(C)c(Cl)c1C=NNC(=O)[C@H](C)OCCOC	748256726	CETMTBWZJYTXFF-VIFPVBQESA-N	316.789	1.138	50	20	DDGD	
Cc1ccc2c(c1)CC[C@H](C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)O2	843654648	IYQGIFJLCHPFPO-OSAQELSMSA-N	318.373	1.261	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1cnn2cccnc12	749800580	IWOVFKMNLJTYQY-UHFFFAOYSA-N	309.329	1.123	50	20	DDGD	
Cc1cc2ccc(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)cn2c1	843970218	CFFLOGBRHZVOGC-BXUZGUMPSA-N	301.346	1.434	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNc1ccc(F)c([N+](=O)[O-])c1	842247054	DFJLTLMLAZJTCL-MRVPVSSYSA-N	313.285	1.766	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	843654557	RTNJATMQUNBHHZ-VHSXEESVSA-N	307.306	1.089	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	843663662	ZEPHTAIWBLVWII-SDJAHQOYSA-N	313.357	1.234	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)CC(C)(C)C)NC(=O)OC(C)(C)C	743336418	GOGYMHHYMUPPTC-JTQLQIEISA-N	315.414	1.873	50	20	DDGD	
Cc1cccn2cc(CCNC(=O)NNC(=O)C(C)C)nc12	746776431	RYPNCLRZFLFUAL-UHFFFAOYSA-N	303.366	1.172	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=c1c(=O)c2cccc3cccc1c32	842554819	MKQLMRPNMJSFGI-CMPLNLGQSA-N	308.337	1.586	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)n1ccnc1[C@@H](O)C1CCCCC1	849948183	NGMVEKNLPVWNCC-RISCZKNCSA-N	322.409	1.615	50	20	DDGD	
CC(C)CCOc1ccc(C(=O)NNC(=O)C(C)(C)CO)cc1	847286412	OQWANENMJVNJGH-UHFFFAOYSA-N	322.405	1.891	50	20	DDGD	
Cn1ncc(C(=O)O)c1C=NNC(=O)c1cc2c(s1)CCC2	848400958	PDQMTFSKCMCKRK-UHFFFAOYSA-N	318.358	1.432	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1ccc2c(c1)CCO2	748253416	NNHQFTPCYUJUFQ-GFCCVEGCSA-N	306.362	1.513	50	20	DDGD	
CN1CCC[C@@H]2CN(S(=O)(=O)CC(C)(C)CCl)CC[C@H]21	866972287	PCCMHFPUXIQBMS-CHWSQXEVSA-N	322.902	1.997	50	20	DDGD	
CN(C)N(C(=O)c1cc(Cl)cs1)[C@@H]1CCS(=O)(=O)C1	757871078	JMTSDPKRNREGJN-SECBINFHSA-N	322.839	1.507	50	20	DDGD	
C#CC[C@@H](CCOC)NC(=O)NNC(=O)Cc1ccccc1F	859021443	CBQRBKFNKHJTLQ-ZDUSSCGKSA-N	321.352	1.127	50	20	DDGD	
CCOc1nc2ccc(C(=O)NN(C)C(=S)NC)cc2[nH]1	854919747	DIHALQLCFWGVOC-UHFFFAOYSA-N	307.379	1.043	50	20	DDGD	
CSc1cc(Br)ccc1C=NNC(=O)C(N)=O	755871033	CMSKEPXNSHUHLL-UHFFFAOYSA-N	316.180	1.106	50	20	DDGD	
CNC(=O)NCCC(=O)OC[C@@H](CBr)C1CC1	859699542	NVJUNTKRMMQLKY-SECBINFHSA-N	307.188	1.270	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@H]1C(=O)NNC(=O)c1cccc(Cl)n1	857323592	SCLGAGQIPXCQEI-PSASIEDQSA-N	309.753	1.501	50	20	DDGD	
COCC[C@H](C)NC(=O)NNc1cccc(C(=O)OC)c1C	853608718	YLVBYXFAFYDSRC-JTQLQIEISA-N	309.366	1.833	50	20	DDGD	
CC(=NNC(=O)Cc1csc(C)n1)c1cc(O)cc(O)c1	753689436	NSBFCKFJEHOEMS-UHFFFAOYSA-N	305.359	1.946	50	20	DDGD	
CO[C@H](C)c1nc(CNC(=O)NNC(=O)C(C)C)cs1	752391995	XNRWAEOKKRSVCF-MRVPVSSYSA-N	300.384	1.337	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Nc1ccc(NC)cc1	859738692	MYFCRHYJVTWHCA-UHFFFAOYSA-N	324.381	1.670	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NN=Cc1cc[nH]c1	853375929	DGTKMKMJODQDEZ-TZMCWYRMSA-N	301.350	1.366	50	20	DDGD	
N#CSCCCNC(=O)c1cnc2c(c1)NC(=O)CS2	854361338	BRMOVPKJMQXGLI-UHFFFAOYSA-N	308.388	1.460	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2c(O)cccc2O)cc1	756763621	CVFQZVBCHMSPCR-UHFFFAOYSA-N	315.329	1.279	50	20	DDGD	
Cc1ccnc(NNC(=O)c2ccc(N3CCOCC3)nc2)c1	755854087	MSIHBNNYGJTWGH-UHFFFAOYSA-N	313.361	1.379	50	20	DDGD	
O=C(CCc1nnc(C2CCCC2)o1)NNc1ccncn1	857520638	GROONTBSVHPKKW-UHFFFAOYSA-N	302.338	1.593	50	20	DDGD	
CCn1ncc(C)c1NC(=O)C(=O)NNc1cc(C)ccc1C	850422195	INOGDXYROOCTPP-UHFFFAOYSA-N	315.377	1.910	50	20	DDGD	
CCCN1CC[C@H](NC(=O)NNc2ncnc3ccsc23)C1	852632289	UCYYITFCXLCKTN-JTQLQIEISA-N	320.422	1.802	50	20	DDGD	
COc1ccc(NNC(=O)c2ncoc2C(F)(F)F)nc1	857490989	WCDYAOKHBYZXSR-UHFFFAOYSA-N	302.212	1.854	50	20	DDGD	
O=C(NN=C[C@@H]1CCOc2ccccc21)C(=O)Nc1ccccn1	758380653	JYLSWEOZUIBLBT-LBPRGKRZSA-N	324.340	1.688	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NNc2ccnc(N(C)C)n2)C1	857859463	UYQAZCYZNAYUGZ-GXSJLCMTSA-N	315.381	1.075	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@]1(C)CCOc2ccccc21	930733487	ULERRWVWEFHPJH-INIZCTEOSA-N	321.377	1.094	50	20	DDGD	
CN(C)CCn1cc(C(=O)NNc2cccc(Cl)c2)cn1	864719354	IGUOIWIIRZBNPU-UHFFFAOYSA-N	307.785	1.855	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cnn(C)c1C(F)(F)F	931014301	ALEMGQYYEMMLJK-UHFFFAOYSA-N	317.271	1.395	50	20	DDGD	
Cc1ncn(-c2ccc(NCc3ccccc3B(O)O)cc2)c1C	864038775	XERLBPPYZSSHRF-UHFFFAOYSA-N	321.189	1.781	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cc(F)c(OC)cc1OC	930326950	RSDSUABPTXZWPE-UHFFFAOYSA-N	323.324	1.799	50	20	DDGD	
COc1ccc(C=NNC(N)=O)c(OCc2cccnc2)c1	766431344	QPWXBYMJYMYAOM-UHFFFAOYSA-N	300.318	1.671	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NNC(=O)Cc1ccc(Cl)cc1	862994722	WKXLZMLNIYFNFW-CYBMUJFWSA-N	323.824	1.903	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CCCOc1ccc2c(c1)OCO2	765328758	XLDIGHYGJYIXQM-UHFFFAOYSA-N	323.349	1.313	50	20	DDGD	
CCO[C@H]1COCC[C@H]1NC(=O)NNc1cccc(C#N)c1	760128716	WEZKQFCISRYUEQ-KGLIPLIRSA-N	304.350	1.378	50	20	DDGD	
CCCC(=O)N1CCC[C@H](C(=O)NN[C@H](C)C(F)(F)F)C1	862310462	XWFKWFPCEZTXSG-ZJUUUORDSA-N	309.332	1.597	50	20	DDGD	
NC(=O)c1ccccc1NCC(=O)NNc1cccc(Cl)c1	764118238	WTWREZLHCYNLBJ-UHFFFAOYSA-N	318.764	1.994	50	20	DDGD	
COc1cccc(C=NNC(=O)Cc2cc(C)[nH]n2)c1OC	767396902	YSJMESSJIGPYOX-UHFFFAOYSA-N	302.334	1.428	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)C(=O)NNc1cccc(F)c1Cl	862507582	ABNRLRYOXODARE-ZETCQYMHSA-N	308.762	1.603	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1ccc([N+](=O)[O-])s1	768579540	QRGHLBOAWMTOMM-UHFFFAOYSA-N	323.359	1.683	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNC(=O)c1cc(C)cs1	862479146	DRFIFBSDPUQLQM-UHFFFAOYSA-N	312.391	1.797	50	20	DDGD	
O=C(NNc1cnccn1)c1cc([N+](=O)[O-])c2nsnc2c1	762814286	DCJPAXSSVSAVSI-UHFFFAOYSA-N	317.290	1.146	50	20	DDGD	
CCOCc1ccc(NC(=O)C(=O)NNC(=O)C2CCC2)cc1	1116623728	UIHGAHPQGCWZEE-UHFFFAOYSA-N	319.361	1.109	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@@H](C)CN2C[C@H](C)O[C@H](C)C2)nc1	761804860	STPNCRUAIKWTMF-SOUVJXGZSA-N	318.421	1.585	50	20	DDGD	
O=C(Cn1ccc(C(F)(F)F)n1)NN=c1cc[nH]cc1Cl	768445383	ZGXIDCFMQAJJLU-UHFFFAOYSA-N	319.674	1.516	50	20	DDGD	
O=C(NN=Cc1cnc(C2OCCO2)s1)NC1CCCC1	761801400	XARQINAXMREQKF-UHFFFAOYSA-N	310.379	1.764	50	20	DDGD	
COc1nccnc1NNC(=O)C(=O)Nc1ccc(C)cc1F	766269815	FPPKLUPDIVUDSP-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCCOc1ncccc1Cl	760834426	QFPDKGWMZLYUEE-UHFFFAOYSA-N	300.746	1.100	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cnc(C3CC3)o2)cc1	877959866	CZRHNAKTHQFPDM-UHFFFAOYSA-N	315.329	1.700	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=CC1CCCCCC1	763192980	KQNSSQGXFHNRIC-UHFFFAOYSA-N	302.378	1.884	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)C(=O)NNc1nncc(N)c1Cl	1116564092	BGJIZJYQBGJKPV-RXMQYKEDSA-N	309.761	1.299	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@H]2CCOC3(CCOCC3)C2)n1	875395214	JKURFWOQDNIPNO-ZDUSSCGKSA-N	320.393	1.744	50	20	DDGD	
CNC(=O)C1(C(=O)NNC(=S)Nc2ccc(C)c(C)c2)CC1	873763424	BNBYLOKGNDEGJI-UHFFFAOYSA-N	320.418	1.147	50	20	DDGD	
O=C(NNc1ccccc1)N[C@@H]1CCO[C@H]1c1ccc(O)nc1	875875180	TUXAPLAPBYSYDX-HIFRSBDPSA-N	314.345	1.944	50	20	DDGD	
CC(=O)c1ccc(-c2ccc(C(=O)NN(C)C(N)=O)o2)cc1	770436854	YXIUQTPNABNPQN-UHFFFAOYSA-N	301.302	1.805	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccc(F)cn2)[C@H]2CCCC[C@H]2N1	874647504	WOHCRJVXWCMIIR-GRYCIOLGSA-N	306.341	1.359	50	20	DDGD	
CN(NC(=O)CCc1nc2cc(Cl)ccc2s1)C(N)=O	778411265	BPATUOLRJOFMDC-UHFFFAOYSA-N	312.782	1.924	50	20	DDGD	
CC[C@@H](C)n1nc(C(=O)NNC(=O)c2ccncc2)cc1C	778213401	CQHZJCXSYZZMOU-SNVBAGLBSA-N	301.350	1.632	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C2(CN(C)C)CC2)cc1C	873762257	RNFDKAXTECZOQB-UHFFFAOYSA-N	320.462	1.963	50	20	DDGD	
Cc1cc(=NNC(=O)NCc2ccc3c(c2)OCCO3)cc[nH]1	874998060	IOPOXDILUIILGO-UHFFFAOYSA-N	314.345	1.409	50	20	DDGD	
COCCc1ncc(C=NNC(=O)Cc2ccncc2)s1	872355541	XBVHTUBSNAEXPG-UHFFFAOYSA-N	304.375	1.420	50	20	DDGD	
CO[C@@H](CNC(=O)NN=c1cc[nH]c(C)c1)c1ccccc1	875047315	DNHRGZJCCWPHCY-HNNXBMFYSA-N	300.362	1.826	50	20	DDGD	
CNC(=O)NNC(=O)c1nc(Br)sc1C1CC1	773848727	PSEYVSZIBXTYKS-UHFFFAOYSA-N	319.184	1.357	50	20	DDGD	
CCCCn1cc(C(=O)O[C@H](C)C(=O)NNC(=O)CC)c(C)n1	772363957	CLHJFQJTBLUAQG-LLVKDONJSA-N	324.381	1.094	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)NCCC2CCC2)c1	776626881	CWLPWXSARSCPFD-UHFFFAOYSA-N	311.407	1.906	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCO[C@@H]2COCC[C@@H]21	888772371	IKPPVJPKBIVPDF-FKZVYCBESA-N	316.332	1.749	50	20	DDGD	
CC(=NNC(=O)CO)c1cnn(-c2cc(C)ccc2C)c1C	776782711	TYVDBGQZPJBHKX-UHFFFAOYSA-N	300.362	1.630	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2ccccc2F)cc(O)n1	778217538	ICURMUJGACSGNY-UHFFFAOYSA-N	303.293	1.564	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccc3cncn3c2)cc1	785688773	HIDFXSFUPKYBQD-UHFFFAOYSA-N	324.340	1.483	50	20	DDGD	
O=C(CCc1ccc(Cl)s1)NNC(=O)C1CCOCC1	883061679	CVLGDTDNNXGZBT-UHFFFAOYSA-N	316.810	1.908	50	20	DDGD	
CC(C)[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1cccnn1	882058029	LZZLAVCVAGRUPV-CQSZACIVSA-N	312.373	1.753	50	20	DDGD	
Cn1cc(NC(=O)C(=O)NNc2ccc(C#N)c(Cl)c2)cn1	785093103	LWUFCKPJOGIKJD-UHFFFAOYSA-N	318.724	1.027	50	20	DDGD	
C=C/C=C/CCNC(=O)NNC(=O)c1cc(OC)cc(OC)c1	883826051	ZKQRYJFQONURGM-AATRIKPKSA-N	319.361	1.780	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCCc1ccc(F)c(F)c1F	784499361	WMQRHLGHBVLSPO-UHFFFAOYSA-N	303.284	1.633	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)n1	780767849	AUHVUFQUOWDMKD-UHFFFAOYSA-N	318.289	1.764	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NNc2cccc(OC)n2)cc1	780465554	VTEXBQPHGFMLLQ-UHFFFAOYSA-N	315.333	1.598	50	20	DDGD	
COc1ccccc1[C@@H](CO)NS(=O)(=O)CBr	782459948	UGZKDBINWXFDBP-SECBINFHSA-N	324.196	1.000	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(Br)c[nH]2)ccn1	789874546	GLCONQNUWFVMPR-UHFFFAOYSA-N	323.150	1.555	50	20	DDGD	
O=C1CC[C@@H]2[C@H]1[C@@H]2C(=O)NNc1nc(C(F)(F)F)cs1	896315038	OHZMYDCMWOYGFP-FOPMIJGASA-N	305.281	1.830	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)c2cccc(C)n2)s1	794089204	CZPBRBIJDZQNAE-UHFFFAOYSA-N	303.343	1.729	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@@H]1CCN(CC(F)(F)F)C1	792640506	BOHTUZAJEPKZAS-SECBINFHSA-N	309.332	1.454	50	20	DDGD	
C[C@H](Oc1ccc(C=NNC(=O)CC(F)(F)F)cc1)C(=O)O	794898097	YAARBOWTSTYVEU-QMMMGPOBSA-N	318.251	1.941	50	20	DDGD	
CC(=NNC(=O)COc1cc(C)ccc1C)c1ccc(O)nn1	790143364	GUCYARKKHOLLNA-UHFFFAOYSA-N	314.345	1.718	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2cn(C(C)(C)C)nn2)n1	790153766	MHWOZEWQXTVIIJ-UHFFFAOYSA-N	306.395	1.491	50	20	DDGD	
CC[C@@H]1C[C@H]1NC(=O)NNC(=O)c1ccc(OC)c(OC)c1	798049718	XGGJPDTVLOZXJE-MWLCHTKSSA-N	307.350	1.446	50	20	DDGD	
Cc1nc(SC(F)F)sc1CC(=O)NNC(=O)C1CC1	792789851	POJUTIAUFSGBKB-UHFFFAOYSA-N	321.374	1.866	50	20	DDGD	
N#C/C(=C/c1cnc(N2CCCC2)nc1)C(=O)C1CCOCC1	794959404	WLLYRBASIQPSEB-DHDCSXOGSA-N	312.373	1.979	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)Cc2ncccc2F)o1	792108427	UEGLNNFSFNRRBX-UHFFFAOYSA-N	303.297	1.890	50	20	DDGD	
CCn1ncnc1CNC(=O)[C@H](Br)C(C)(C)C	794231437	CRHTUIOCFDOXPR-VIFPVBQESA-N	303.204	1.724	50	20	DDGD	
CNC(=O)CCCC(=O)Nc1cccc(NC(=O)NN(C)C)c1	798249835	WSDYMAPTXUPFTP-UHFFFAOYSA-N	321.381	1.140	50	20	DDGD	
O=C(NNC(=S)Nc1ccc(Cl)nc1)c1cnccn1	1318374598	KWPGWPRDCRCXPW-UHFFFAOYSA-N	308.754	1.156	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cn(C)nc1-c1cccs1	1319932856	HUZFYBSFEKWQMU-UHFFFAOYSA-N	323.447	1.666	50	20	DDGD	
Cn1ccc(NNC(=O)C2CCN(Cc3ccccc3)CC2)n1	1320978941	WCTPOJYLQDIYCJ-UHFFFAOYSA-N	313.405	1.775	50	20	DDGD	
C[C@H]1C[C@@H](NS(=O)(=O)CCl)CN1Cc1ccccc1	398049422	SKNRWABMKXKLPO-WCQYABFASA-N	302.827	1.765	50	20	DDGD	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CC[C@@H](B(O)O)C1	585074737	NYCIVXVOXNMUKB-VHSXEESVSA-N	313.615	1.896	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccc(OCC(F)(F)F)c(F)c1	1320263416	KFEAAJALVSBRPG-UHFFFAOYSA-N	322.214	1.390	50	20	DDGD	
Cn1c(=O)oc2cc(NS(=O)(=O)CCCCCl)ccc21	190766876	CZDOJCPBMTWMOC-UHFFFAOYSA-N	318.782	1.892	50	20	DDGD	
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)CCI	190891379	PAPKBXYTWGAEBA-YUMQZZPRSA-N	319.208	1.175	50	20	DDGD	
COC(=O)N1CCC(=NNC(=O)c2ccc(OC)cc2)CC1	1321783882	QRGHQNDHPZMNRF-UHFFFAOYSA-N	305.334	1.643	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccn(-c3ccncc3)n2)n1	1320801041	XLZUXUIWNHQJLM-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Nc2nc(C)c(C)o2)cc1	1320163775	VSONXYVFJLNZFA-UHFFFAOYSA-N	304.306	1.767	50	20	DDGD	
CC(C)(CCCO)CNC(=O)NNc1nncc(N)c1Cl	1323388996	ZJQDSOCDLKLSOX-UHFFFAOYSA-N	316.793	1.137	50	20	DDGD	
Cc1cncc(CCC(=O)NNc2nncc(N)c2Cl)c1	1324995433	AWZCXHMGOJIVRG-UHFFFAOYSA-N	306.757	1.492	50	20	DDGD	
CSc1nc(O)nc(C)c1C(=O)NNc1ccc(C#N)cc1	1324269890	FTGWGAYZNZUMPA-UHFFFAOYSA-N	315.358	1.841	50	20	DDGD	
Cn1nc(C(F)(F)F)cc1NC(=O)NNC(=O)C(C)(C)C	1333906962	CJRAQNPMVPKLSV-UHFFFAOYSA-N	307.276	1.638	50	20	DDGD	
C[C@@]1(COC(=O)CCCS(C)(=O)=O)C[C@H]1Br	1263537558	TXUXWOFGARDRCL-SCZZXKLOSA-N	313.213	1.528	50	20	DDGD	
CC1(C)[C@@H]2CC[C@@]1(C(=O)NNC(=O)NCC(F)(F)F)C(=O)C2	1347029890	AWXHACJICCGFLE-KRTXAFLBSA-N	321.299	1.275	50	20	DDGD	
O=C(NN=Cc1cccc2ccoc12)N[C@H]1CCS(=O)(=O)C1	1261277623	GDCBGZAUAGBPSO-LBPRGKRZSA-N	321.358	1.253	50	20	DDGD	
CC(=O)N1CCN(c2ccccc2CNC(=O)CCl)CC1	1341509361	BTIZUYNXRHVSPC-UHFFFAOYSA-N	309.797	1.210	50	20	DDGD	
N#CC1=CCN(C(=O)c2coc(Sc3ncccn3)n2)CC1	1362316091	QWRKFNFASDQNSJ-UHFFFAOYSA-N	313.342	1.912	50	20	DDGD	
Cc1cc(C)c(C(=O)O)cc1NC(=O)NNc1ccncn1	1600157282	LLNQNVUDPMSNSO-UHFFFAOYSA-N	301.306	1.940	50	20	DDGD	
CC[C@@H](C(=O)O)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	1609886745	TVSBIMGGXMRSFU-SSDOTTSWSA-N	301.686	1.802	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(C(=O)O)cc([N+](=O)[O-])c1C	1604858233	GGCQIQLJKGXHRR-UHFFFAOYSA-N	310.266	1.164	50	20	DDGD	
O=C(NC[C@@H]1CCCNC1)NNc1cccc(C(=O)O)c1F	1608434827	OLTDOMVXMRLODU-SECBINFHSA-N	310.329	1.150	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H](C(=O)NNc2ccc(C(F)(F)F)cc2)O1	1608804410	XVBLRVRIUJKNCC-ZJUUUORDSA-N	318.251	1.781	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H](C(=O)NNc2ncc(Cl)cc2Cl)O1	1602177073	FMVKACCAOIUBGR-SFYZADRCSA-N	320.132	1.464	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@@H](CC(=O)O)C2CCCC2)cn1	1608110727	UYDGOPUEUUJXHI-XMRSSTEGSA-N	316.361	1.477	50	20	DDGD	
O=C(O)CC1(C(=O)NNC(=O)CCCc2ccccc2)CCC1	1606071675	MXEDXFJIZOCRLC-UHFFFAOYSA-N	318.373	1.802	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)Cc2c[nH]c3ncccc23)cc1	1602127365	ONFXZFJXXXSBEX-UHFFFAOYSA-N	324.340	1.876	50	20	DDGD	
Cn1ccnc1CNC(=O)NNc1ccc(F)c(C(=O)O)c1	1600986685	HFIWUIXDEIMTNY-UHFFFAOYSA-N	307.285	1.084	50	20	DDGD	
Cc1cc(/C=C(/C#N)S(=O)(=O)NC2CC2)ccc1C(=O)O	1607635351	WQFPCMZUASENAZ-GHXNOFRVSA-N	306.343	1.640	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)cc1F	1549318436	PQUUMLFDKXDMCF-UKRRQHHQSA-N	305.353	1.447	50	20	DDGD	
O=C(NN=Cc1cccc2cccnc12)[C@H]1CN2CCC[C@H]2CO1	1549315478	BPEBQXZWNKWNSC-JKSUJKDBSA-N	324.384	1.548	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@@H]2C=NNC(=O)c2ccncc2)cn1	1552448168	QNYYABFUCIFENK-UKRRQHHQSA-N	313.361	1.791	50	20	DDGD	
COC(=O)NCC(=O)NNc1ccc(F)cc1Br	153850736	LOTRNBCNFWTJLM-UHFFFAOYSA-N	320.118	1.387	50	20	DDGD	
C[C@H](N)CC(=O)NNC(=O)CSc1ccc(Cl)cc1	1579478125	SHWWRNHSNWAHHQ-QMMMGPOBSA-N	301.799	1.317	50	20	DDGD	
C[C@@H]1CCN[C@@H](C(=O)NNc2cc(Br)ncn2)C1	1576743762	AWYRYNACRUITSH-HTQZYQBOSA-N	314.187	1.070	50	20	DDGD	
CCc1oc(C=NNC(=O)c2sc(N)nc2C)cc1C(=O)O	1597792964	OAYJAEPYOIVKLJ-UHFFFAOYSA-N	322.346	1.651	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2ccc(F)c(Cl)c2)O[C@H]1C(=O)O	1599876242	YAOKZPQODPKLHI-DIMCTHFVSA-N	316.716	1.800	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCCc1ccc(C(=O)O)cc1	1590232488	FZCUXCSELUUZAS-UHFFFAOYSA-N	323.349	1.666	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@@H]1CC12CC2	1593160878	WVDVZUGPGNVSPM-ZETCQYMHSA-N	305.729	1.158	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccc(CC(=O)O)cc1)N1CCCC1=O	1594735499	DDTISKAHLKXYEB-ZDUSSCGKSA-N	319.361	1.158	50	20	DDGD	
COc1ccc(NNC(=O)C2(C(=O)O)CC=CC2)c([N+](=O)[O-])c1	1594105165	FYYUFDSRYAEHHO-UHFFFAOYSA-N	321.289	1.468	50	20	DDGD	
N#C/C(=C\c1ccc(-c2nn[nH]n2)cc1)C(=O)NC1CCCC1	1592662376	CUXJPQNHBFHIFW-UKTHLTGXSA-N	308.345	1.832	50	20	DDGD	
Cc1cc(C)c(C(=O)O)cc1C=NNC(=O)c1cnsn1	1776104908	GBEDAAFLTURFNP-UHFFFAOYSA-N	304.331	1.617	50	20	DDGD	
CC(C)O[C@H]1CS(=O)(=O)C[C@@H]1I	158031879	VIUQLPKZZPAVEL-BQBZGAKWSA-N	304.149	1.012	50	20	DDGD	
CCCNC(=S)NNC(=O)c1ccc(OCC)c(OC)c1	16317964	QCBJPWNEWMSKSA-UHFFFAOYSA-N	311.407	1.613	50	20	DDGD	
CCNc1nc(C(=O)NNC(=O)CNc2ccccc2)cs1	161038360	RTPVZBSFIFBKJG-UHFFFAOYSA-N	319.390	1.448	50	20	DDGD	
COC(=O)NNC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1	158901782	FXAFKHOPDSRFGV-ZDUSSCGKSA-N	309.341	1.567	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2ccccc2OC(C)C)[nH]n1	153239426	HAMAAODXNFFXTI-UHFFFAOYSA-N	316.361	1.509	50	20	DDGD	
N#Cc1ccc(NNC(=O)Cn2ncc3ccccc3c2=O)cc1	155420111	GSGAWTPRIMGXJA-UHFFFAOYSA-N	319.324	1.411	50	20	DDGD	
CC(C)Oc1ccc(NC(=O)NNC(=O)CN(C)C)c(F)c1	155935121	ROELXZFXCTWUOS-UHFFFAOYSA-N	312.345	1.327	50	20	DDGD	
C[C@@H](Sc1nncn1C)C(=O)NNc1c(F)cccc1F	156530713	HBXQADZOTMPJAQ-SSDOTTSWSA-N	313.333	1.717	50	20	DDGD	
N#Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1	3474231	VYODUAHBEDFUMW-UHFFFAOYSA-N	323.308	1.176	50	20	DDGD	
CN(CCNC(=O)NNC(=O)CC(C)(C)C)Cc1ccccc1	171465046	DEOREIFPKXXDAR-UHFFFAOYSA-N	320.437	1.885	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1ccc2nccnc2c1	101681593	COONSJXUEOPSRV-UHFFFAOYSA-N	308.297	1.410	50	20	DDGD	
Cc1ncc(CN(C)C(=O)NNC(=O)Cc2cccnc2)s1	170888060	DIGUNTJQJPMNEB-UHFFFAOYSA-N	319.390	1.262	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1csc2c1CCCC2	110760530	COOYBWHLMXSADH-UHFFFAOYSA-N	304.375	1.733	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNc1cccc([N+](=O)[O-])c1	178854845	CWJJHRLOZAFGHB-UHFFFAOYSA-N	308.338	1.687	50	20	DDGD	
Cc1ccc(NNC(=O)NC2CCN(C(C)(C)C)CC2)nn1	106265225	LYEHXSOMEXDMSN-UHFFFAOYSA-N	306.414	1.674	50	20	DDGD	
Cc1csc(NC(=O)NNC(=O)Cc2ccccc2F)n1	109016205	ZTGBTVJQRVIXJZ-UHFFFAOYSA-N	308.338	1.986	50	20	DDGD	
CCNC(=O)NNC(=O)CCc1nc(-c2cccs2)no1	65190658	SHQYBULUINSVPS-UHFFFAOYSA-N	309.351	1.081	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CSC[C@@H]2CCCCO2)o1	175831418	ZDYWXKVDOKLCJN-NSHDSACASA-N	312.391	1.651	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1n[nH]c2c1CCC2	119380010	FONHVRKNYZFBJT-UHFFFAOYSA-N	309.329	1.455	50	20	DDGD	
Cc1cc([C@@H](C)NC(=O)NNC(=O)c2cnn(C)c2)c(C)s1	117958372	DJGBYEWIQHQRSA-SECBINFHSA-N	321.406	1.804	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cn1	25491542	LTKFQZLCKOFERN-UHFFFAOYSA-N	300.274	1.373	50	20	DDGD	
O=C(NNC(=O)C(F)(F)C(F)F)c1cccc2ncccc12	176534703	UJYMQQVRKZMTGD-UHFFFAOYSA-N	315.226	1.896	50	20	DDGD	
CSC[C@H](C)C(=O)NNc1nc2ccccc2c(=O)n1C	113186820	DNTHPDBLJIYCTM-VIFPVBQESA-N	306.391	1.376	50	20	DDGD	
Cc1ccnc(NNC(=O)c2nc(-c3cnn(C)c3)oc2C)c1	176766244	ZXUROAXSKYNNFM-UHFFFAOYSA-N	312.333	1.844	50	20	DDGD	
O=C(Cc1ccccc1OC(F)F)NNC(=O)[C@@H]1CCCO1	118313826	NUMZLYPKGUYPNM-NSHDSACASA-N	314.288	1.157	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CCC(=O)NNc1ncccc1Cl	114886702	LKQKGOFWZORWLN-UHFFFAOYSA-N	324.728	1.682	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2cc(F)ccc2F)n1	174497188	UKTOVAGEPWBWCA-UHFFFAOYSA-N	308.288	1.758	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1	176142947	MLCFTERBBYQUFI-CQSZACIVSA-N	322.384	1.483	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NNc1cccc([N+](=O)[O-])c1	178867660	YWGAPPQKRICCGN-NSHDSACASA-N	309.326	1.265	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C(C)C)cnn1-c1ccccc1F	26238710	IBDLZWNGHBZFNK-UHFFFAOYSA-N	304.325	1.737	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)Nc2ccc(F)cc2C#N)cc1	119670543	CCSJWQLUIOPWFM-UHFFFAOYSA-N	323.287	1.651	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1nc2ccccc2n1C	110102832	QPSQVOJAEYTOKG-VIFPVBQESA-N	306.391	1.611	50	20	DDGD	
Cc1cccc(NC(=O)NNC(=O)Cc2ccc(F)cc2)n1	124566847	PKXPEDJSYBDJCD-UHFFFAOYSA-N	302.309	1.925	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)[C@H]1C[C@]12CCc1ccccc12	173970555	YOCZTQXTHKFXFY-PXAZEXFGSA-N	320.356	1.700	50	20	DDGD	
Cn1ccc2ccc(NC(=O)NNC(=O)Cc3cccnc3)cc21	186108831	XCMREFFJZBZDPH-UHFFFAOYSA-N	323.356	1.969	50	20	DDGD	
CC(C)(C(=O)NNC(=O)C(=O)NC1CC1)c1cccc(Cl)c1	76559804	NRXGYGZUANIGSN-UHFFFAOYSA-N	323.780	1.044	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)COc1ccc(C)cc1	184180377	WYULYROBSSZKKW-UHFFFAOYSA-N	308.378	1.584	50	20	DDGD	
Cc1cccc(NC(=O)NNC(=O)Cc2cccnc2)c1F	183907805	QHBMDGCADOXMTO-UHFFFAOYSA-N	302.309	1.925	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNc2ccc(C#N)c(Cl)c2)C1	182411532	QRCFZAMHUPIART-NSHDSACASA-N	320.780	1.913	50	20	DDGD	
O=C(NNc1ccncc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1	180445326	SSBLZGZXNOLQAC-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(F)c(F)c1F	124822915	VVZFBNHLHCOANM-LURJTMIESA-N	317.267	1.236	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)COc1ccc(C)c(C)c1	124779941	MIRQEADSWGAZQO-ZDUSSCGKSA-N	310.419	1.971	50	20	DDGD	
COc1ccc(F)c(C(=O)NNC(=O)c2ccccc2)c1OC	188157875	PMLDFAJUTFLNTB-UHFFFAOYSA-N	318.304	1.918	50	20	DDGD	
Cn1ccnc1[C@H]1CCN(S(=O)(=O)CCCCCl)C1	372926555	QPWZAZKJBFWDAK-NSHDSACASA-N	305.831	1.558	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@H](C)Cn2cccn2)n1	181045599	GCNMTUPWFBBSAJ-NSHDSACASA-N	304.354	1.249	50	20	DDGD	
CC(=O)NCc1ccc(C(=O)NNc2ccnc(F)c2)cc1	182510319	LJTGUDVDTPEVGC-UHFFFAOYSA-N	302.309	1.614	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(F)cc1C(F)(F)F	134978703	VFWPWRGROZRSCV-JTQLQIEISA-N	320.242	1.785	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2cccc3nn[nH]c23)c1	182666444	FWYUQEYSTKUNJV-UHFFFAOYSA-N	324.344	1.099	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1cc(C)cc(Br)c1	188253882	IOHCEVHVEYBDHX-UHFFFAOYSA-N	323.168	1.307	50	20	DDGD	
Cc1cc(C)cc(NC(=O)C(=O)NNc2cc(C)nc(C)n2)c1	130458945	BDEKGWIHHHRPIS-UHFFFAOYSA-N	313.361	1.792	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)NC[C@H]1C[C@H]1C	47098979	CAWWEZHPTPPYIX-GHMZBOCLSA-N	307.350	1.060	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccnn1CC)c1ccccc1	131197994	ZLZUJSWGDPLEBS-ZDUSSCGKSA-N	300.362	1.858	50	20	DDGD	
CC(C)CN1CCC(NC(=O)NNC(=O)c2ccccc2)CC1	45463939	XSEMCTLJUDGZPL-UHFFFAOYSA-N	318.421	1.751	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N[C@H](C)C1CC1	43633255	YKHOHZDSZCVYQX-SECBINFHSA-N	301.350	1.385	50	20	DDGD	
CC(=O)N1CCC[C@@H](C(=O)NNC(=O)CCc2ccccc2)C1	194774379	QGVNONMEVUPGNO-OAHLLOKOSA-N	317.389	1.025	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(N(C)C)ccn2)c(O)c1	195496914	ICUDXZKQKOQRNE-UHFFFAOYSA-N	314.345	1.236	50	20	DDGD	
CCCc1ncc(C(=O)NNC(=O)Cc2ccncc2)s1	81027335	PSMNGUYSSFVXHV-UHFFFAOYSA-N	304.375	1.494	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H]1CCCN1Cc1ccc(F)cc1	81106593	WYRIRDVKCZHNOU-CYBMUJFWSA-N	309.341	1.567	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2cccc(F)c2F)n1	87434534	NAHXPNKITMUQNR-UHFFFAOYSA-N	308.288	1.758	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCCCOC(F)F)cc1	194095240	ULIPUNZNVXACCA-UHFFFAOYSA-N	312.276	1.132	50	20	DDGD	
NC(=O)COc1ccc(C(=O)NNc2cccnc2Cl)cc1	85684369	GDJOEDUTALLVJO-UHFFFAOYSA-N	320.736	1.356	50	20	DDGD	
Cc1cc(C)nc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)c1	193811890	GPODCWFIHWHUPL-UHFFFAOYSA-N	306.366	1.221	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2ccc(F)cc2F)n1	194040171	YVGIZHQDJONKPO-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
COc1ccccc1NC(=O)C(=O)NNc1cc(C)ccn1	190038522	MJFXBXQGHBDCED-UHFFFAOYSA-N	300.318	1.480	50	20	DDGD	
C[C@@H](C(=O)NNc1nnc(C2CC2)s1)N(C)CC(F)(F)F	193813355	DMOMBFIRBAYSJF-LURJTMIESA-N	323.344	1.741	50	20	DDGD	
C[C@@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)NNC(=O)C(C)(C)C)C1	98034355	QLOLEEAVFFJEAF-JHJVBQTASA-N	312.458	1.729	50	20	DDGD	
Cc1c(NNC(=O)[C@@H](C)OC[C@@H]2CCCO2)cccc1[N+](=O)[O-]	269605623	MHJFARSZGNUCIY-NEPJUHHUSA-N	323.349	1.930	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc(N2CCOCC2)cc1	264650388	BEFKVMNLBKIFRA-UHFFFAOYSA-N	303.362	1.084	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)O1	268361917	UGKIRPOTEAEZJA-QKCSRTOESA-N	324.352	1.698	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H]2CCSC2)cc(C#N)n1C	266301186	CYHFZVKRYYZALQ-YFTXEMMHSA-N	300.387	1.734	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H]1CN(C2CC2)C[C@H]1C	268232045	SKNIIGUCOGMSKD-YGRLFVJLSA-N	324.856	1.951	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)CNc2ccc(OC)cc2)O1	268280313	VPXCIMWEUBWZOW-TZMCWYRMSA-N	321.377	1.212	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1cc2c(cn1)OCCC2	367818608	IQRPVEPILAPWSK-UHFFFAOYSA-N	305.725	1.607	50	20	DDGD	
C=CCOCCCC(=O)NNc1ccc(-n2ccnc2)nn1	278684674	QSYCMTMHMBVXOQ-UHFFFAOYSA-N	302.338	1.088	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(C(F)(F)F)nc1O	274540580	SFLFOZAKVOHLAV-UHFFFAOYSA-N	306.244	1.112	50	20	DDGD	
COc1cccc([C@@H](C)CCCC(=O)NNC(=O)C(C)(C)O)c1	279803271	SUZQDLVXGRGOID-LBPRGKRZSA-N	322.405	1.887	50	20	DDGD	
Cc1nnc([C@H](C)NS(=O)(=O)CBr)s1	273667337	YTRURFDDERPXMH-BYPYZUCNSA-N	300.203	1.179	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)N[C@@H]1CCO[C@H]1C1CC1	367007937	UMFRHDILXODFLA-ZBFHGGJFSA-N	317.389	1.517	50	20	DDGD	
COc1ccc(NNC(=O)NCCCc2nc(C)no2)nc1	275975583	OFXHIWFEGPOHER-UHFFFAOYSA-N	306.326	1.041	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)Nc1ccc(Cl)cc1F	274091449	NIHMKZRGCDUFMW-UHFFFAOYSA-N	313.716	1.365	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@H]1CCN2CCC[C@@H]2C1	363913739	LIJKHFRUEXDYLD-VHSXEESVSA-N	310.789	1.383	50	20	DDGD	
NC(=O)CSCC(=O)NNc1ccccc1OC(F)(F)F	275155279	VLPNNDGCPMTPPI-UHFFFAOYSA-N	323.296	1.247	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@H]1CCCN(C2CCCCC2)C1=O	276104211	JKINAKOFHKANPQ-LHNRBYRGSA-N	319.405	1.870	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)CC(C)(C)C#N	278802644	NTXDBJBQZTWHGY-UHFFFAOYSA-N	306.391	1.953	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)C2CC2)cc1Cl	273262659	YGVLJDBGEISIRD-UHFFFAOYSA-N	311.725	1.689	50	20	DDGD	
COc1cc(/C=C(\C#N)S(=O)(=O)NC2CC2)cc(OC)c1O	276327988	KRTGPNRTCUGROL-VZUCSPMQSA-N	324.358	1.356	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H]2O[C@H](C)C[C@H]2C)nc1C	282718684	LJNBIPJERDXFFL-KBVBSXBZSA-N	322.365	1.218	50	20	DDGD	
CCc1nn(C)c(CC)c1CC(=O)NNc1ncccc1F	285911980	IDVGZWCNULYXTK-UHFFFAOYSA-N	305.357	1.765	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@@](C)(C#N)CC	284835788	BNUHEYFPKLKHOD-MRXNPFEDSA-N	319.361	1.551	50	20	DDGD	
Cc1nc(Cl)ccc1S(=O)(=O)NNC(=O)OC(C)(C)C	288510884	VCALVOSILABXJU-UHFFFAOYSA-N	321.786	1.761	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	294471127	VCCSZGDSBSLJGW-GXFFZTMASA-N	312.341	1.556	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc(Cl)cs1	807369404	YYFFPBVKZPIEHX-UHFFFAOYSA-N	320.798	1.952	50	20	DDGD	
Cn1cncc1CC(=O)NNC(=O)CCCc1ccccc1	806773519	RHFHIGLCZFXPEQ-UHFFFAOYSA-N	300.362	1.133	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2cnn(C)c2)cc1C	291304318	SPZMUVRTAOYTKP-UHFFFAOYSA-N	302.334	1.662	50	20	DDGD	
COC(=O)N(C)NC(=O)C[C@H](c1ccccc1)N1CCOC1=O	804124641	JFCREFAANQZXJV-GFCCVEGCSA-N	321.333	1.299	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)COc1ccccc1F)C1CC1	290929695	IWONPVACBUGKPW-OAHLLOKOSA-N	310.325	1.167	50	20	DDGD	
COC(=O)Cc1occ(C)c1C(=O)NNC(=O)NC1CCCC1	291444251	GMPPQWVMIYFFSV-UHFFFAOYSA-N	323.349	1.190	50	20	DDGD	
CC/C=C/CNC(=O)NNC(=O)COc1ccccc1OC	296079433	DHEDBSONCPJKQA-QPJJXVBHSA-N	307.350	1.371	50	20	DDGD	
CCc1occc1C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	801110583	DKBXZUKEGAFZFH-UHFFFAOYSA-N	315.329	1.550	50	20	DDGD	
C#CCO[C@H](C)C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	294453017	TUDOTEKKCXOSOZ-KGLIPLIRSA-N	318.373	1.256	50	20	DDGD	
CC(=O)c1ccc(NC(=O)C(=O)NNc2ncccc2F)cc1	807302178	YQTXVYSSUWASPI-UHFFFAOYSA-N	316.292	1.505	50	20	DDGD	
O=C(NNC(=O)[C@H](F)C(F)(F)F)c1ccc2c(c1)OCO2	809949773	AJVSXYLOYOMHAY-QMMMGPOBSA-N	308.187	1.077	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccc(F)cc2)CC1)[C@@H]1CCCO1	293880890	DLVWHUKGBYWZFK-ZDUSSCGKSA-N	306.337	1.475	50	20	DDGD	
Cc1cc(C)nc(C(=O)NNC(=O)Cc2ccccc2F)c1	800887312	OQDKQZSNAPJAMZ-UHFFFAOYSA-N	301.321	1.841	50	20	DDGD	
CC(Cn1cccn1)=NNC(=O)Cc1nc2ccccc2n1C	814737793	KOKDDPNEWNNNHR-UHFFFAOYSA-N	310.361	1.505	50	20	DDGD	
Cc1cc(Cl)cc2c1OCC2=NNC(=O)C(=O)NC(C)C	814778075	PCOXQSDBZVZIMF-UHFFFAOYSA-N	309.753	1.386	50	20	DDGD	
Cc1nc2ccc(NC(=O)C(=O)NN(C)c3ccccc3)cn2n1	810392593	AWEXNPDEHSWKOT-UHFFFAOYSA-N	324.344	1.144	50	20	DDGD	
COC(=O)C(C)(C)CC=NNC(=O)[C@@H]1COc2ccccc2O1	814700946	JKGLXHCXQPYOBY-ZDUSSCGKSA-N	320.345	1.518	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCCC[C@H]1CCCO	814864725	HXJKPSXYFHOSKG-OLZOCXBDSA-N	300.399	1.473	50	20	DDGD	
O=C(NCC[C@@]1(O)C[C@H]2CC[C@H]1C2)NNc1ncccc1F	814347088	UWBPVQRBSLTCFB-ZIBATOQPSA-N	308.357	1.788	50	20	DDGD	
O=C1CCCc2cc(C(=O)NNc3ncncc3F)ccc2N1	817083515	LQGQXWYNBVLYCG-UHFFFAOYSA-N	315.308	1.647	50	20	DDGD	
CC[C@H](C(=O)NNc1nc2ccccc2n1C)N1CCCC1=O	816579564	VDTDAGJASTVAJW-GFCCVEGCSA-N	315.377	1.417	50	20	DDGD	
COc1cc(C(=O)NNc2ncncc2F)ccc1[N+](=O)[O-]	817083121	XMAGTOJCBCJLAG-UHFFFAOYSA-N	307.241	1.289	50	20	DDGD	
COc1cccc(-c2n[nH]cc2C=NNC(=O)c2cnn(C)c2)c1	814851970	CUTGFHKIHIMIIA-UHFFFAOYSA-N	324.344	1.583	50	20	DDGD	
CN1CCN(Cc2cccc(C(=O)NN(C)C3CC3)c2)CC1	819646857	HMQFJCQNUGZBPJ-UHFFFAOYSA-N	302.422	1.173	50	20	DDGD	
O=C(NCC1CC1)NN=Cc1ccc(Cl)cc1-n1cncn1	814818253	KGXUBBHMEKLMQM-UHFFFAOYSA-N	318.768	1.964	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCCCC1)c1csc(N)n1	812440447	AYFYRKVBKVPBOF-JTQLQIEISA-N	309.439	1.688	50	20	DDGD	
CCC[C@@H]1C[C@H]1C(=O)OCC(=O)NNC(=O)c1ccccc1	812639501	JBKJLDZNUWZUCS-CHWSQXEVSA-N	304.346	1.427	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(Cl)ncc1Br	813424565	PTACNXYEAGUJTG-UHFFFAOYSA-N	321.562	1.461	50	20	DDGD	
O=C(NN=C[C@@H]1CCCOC1)c1nnc(O)c2ccccc12	814739893	GJUCYVGXHZKJJG-JTQLQIEISA-N	300.318	1.478	50	20	DDGD	
Cc1nc(C(=O)NNc2ccc(S(C)(=O)=O)cc2)c(C)o1	815852259	NAMMFRWYCWAACK-UHFFFAOYSA-N	309.347	1.452	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)[C@H]2C[C@H]2C2CC2)cc1	812727482	SFCVUFMMTKGWFY-KBPBESRZSA-N	323.418	1.426	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)c2ccc3ccccc3n2)nc1	728855725	BCLHCNYDUYDCKH-UHFFFAOYSA-N	316.320	1.686	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1	823982742	CWAHHHDYFGSLPG-NSHDSACASA-N	323.393	1.991	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1nnc(C)s1)c1ccccc1	827184778	HHNRKNDCMOYVGQ-LLVKDONJSA-N	304.375	1.801	50	20	DDGD	
Cc1nc(-c2c(C)noc2C)sc1C(=O)NN(C)[C@@H](C)CO	823917769	NISZYPDKJMJWKD-ZETCQYMHSA-N	324.406	1.681	50	20	DDGD	
CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NNC(=O)OCC	491015786	INJNBGHVKOWPQZ-MBACFSSFSA-N	315.395	1.022	50	20	DDGD	
CCCN(NC(=O)Cc1cn(C)nc1C)C(=O)OC(C)(C)C	496721237	OYONOIANPNKKLW-UHFFFAOYSA-N	310.398	1.949	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NN(C)C(=O)OC(C)(C)C	497016530	MVPURLDEEARMOH-UWVGGRQHSA-N	317.386	1.655	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)c1ccc(-c2nn[nH]n2)s1	823281691	VWRDQKMPCHXYRE-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
C[C@@H](C(=O)NN(C)C(=O)OC(C)(C)C)N1CCSCC1	496370209	QLHQOEIWICGZEX-JTQLQIEISA-N	303.428	1.322	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)C1CCOCC1	824040374	OOYYSAKXDLRYOQ-JTQLQIEISA-N	316.365	1.373	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCc1ccc(OC(F)(F)F)cc1	823959963	SWZVJQFZNZGQTQ-JTQLQIEISA-N	320.311	1.862	50	20	DDGD	
C[C@]1(C(=O)NCCCN2CCC(O)CC2)C[C@@H]1Br	906740154	TYTPNIONLDMTQU-AAEUAGOBSA-N	319.243	1.123	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1sccc1-c1nn[nH]n1	823280803	GKJXIQHQQZIWFD-UHFFFAOYSA-N	321.753	1.155	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1c2ccccc2O[C@H]1C	826810489	YCNUGSBGBNVYSN-AYGWYOGXSA-N	319.361	1.264	50	20	DDGD	
CCn1ncnc1CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	490702165	YLIJVINUGVMNBI-WLRTZDKTSA-N	323.360	1.040	50	20	DDGD	
COCCOc1ccccc1NCc1ccc(B(O)O)cc1F	585012772	GGNIUSUROYOIBI-UHFFFAOYSA-N	319.141	1.143	50	20	DDGD	
CCN(CC)C[C@@H](C)NC(=O)NNC(=O)Cc1ccccc1F	731403364	ILCJNHDIRJYMKO-GFCCVEGCSA-N	324.400	1.429	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C	497111634	IPSCGMBWZGLFKX-SNVBAGLBSA-N	301.387	1.339	50	20	DDGD	
COc1ccnc(C(=O)NNC(=O)COc2ccc(C)cc2)c1	734809963	QEYVXVCZFZYTLZ-UHFFFAOYSA-N	315.329	1.239	50	20	DDGD	
Cc1cc(NNC(=O)CCc2ccc(-c3nn[nH]n3)cc2)ncn1	737281275	SOGOTBUHLRFBIG-UHFFFAOYSA-N	324.348	1.041	50	20	DDGD	
CO[C@H]1COCC[C@@H]1CNC(=O)NNc1cccc(F)c1F	838659027	MXNKMCYTQQRMJY-SKDRFNHKSA-N	315.320	1.642	50	20	DDGD	
CN(CCNC(=O)NNc1ccc(F)cn1)CC(F)(F)F	732677638	SLALVEYDRGNGFY-UHFFFAOYSA-N	309.267	1.341	50	20	DDGD	
CCn1ccnc1C(C)=NNC(=O)CNc1cccc(OC)c1	834933235	NJANXKZSFNRUCW-UHFFFAOYSA-N	315.377	1.864	50	20	DDGD	
CNC(=O)/C(C#N)=C/c1cccc(I)c1	490943391	RMWSBWIMJIXCHE-WEVVVXLNSA-N	312.110	1.944	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H](c1ccc(F)cc1F)C1CC1	585027141	XLKDBQPNJZOXKV-QGZVFWFLSA-N	317.144	1.886	50	20	DDGD	
CN(C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)CCl	830003427	XSMUXZDZVQUZAQ-UHFFFAOYSA-N	315.826	1.448	50	20	DDGD	
CC(C)(C)OC(=O)NC1CC(=NNC(=O)Cc2cc[nH]n2)C1	495597279	UUUDNANLYADMEZ-UHFFFAOYSA-N	307.354	1.112	50	20	DDGD	
C/C(Cl)=C\C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	901268742	CQIDSIQNNBXQTG-CMDGGOBGSA-N	319.789	1.581	50	20	DDGD	
C[C@H](C1CCCCC1)N(C)C(=O)c1cc(B(O)O)ccc1F	584987338	MBKJVEQXUFGRHQ-LLVKDONJSA-N	307.174	1.546	50	20	DDGD	
O=C(NN=C1CCc2ccccc2CC1)[C@@H]1CCS(=O)(=O)C1	834937781	RGGWZCSEZCTCQM-CQSZACIVSA-N	320.414	1.472	50	20	DDGD	
COC(=O)[C@]1(C)CCN(C(=O)[C@]2(C)C[C@@H]2Br)C1	906992161	OLBLYBNYUIDCNU-XXILOJSOSA-N	304.184	1.572	50	20	DDGD	
CC(C)(C)N1C[C@H](NC(=O)[C@@]2(C)C[C@@H]2Br)CC1=O	906879359	VGRRKEWGDVOHIB-ZDMBXUJBSA-N	317.227	1.676	50	20	DDGD	
CNc1cc(C(=O)NNC(=O)CC(F)(F)F)cc(Cl)n1	732275250	UZOUQUJBBJWORL-UHFFFAOYSA-N	310.663	1.490	50	20	DDGD	
COCCCOCCC(=O)NNc1ccc(F)c(F)c1F	830781879	LMVMAXPVFRXWFU-UHFFFAOYSA-N	306.284	1.990	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)O)c1C	738067238	DKOAFUJRZVJTDE-UGMNDJHYSA-N	320.345	1.675	50	20	DDGD	
C[C@H]1CN(C)c2ccccc2N(C(=O)c2ccc(B(O)O)cc2)C1	584950578	FVRJUUSJYFFAFZ-ZDUSSCGKSA-N	324.189	1.099	50	20	DDGD	
Cc1ccc(N2CC[C@H](NS(=O)(=O)CCl)C2=O)cc1	830688128	INTKOCVYOWPPQL-NSHDSACASA-N	302.783	1.216	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1cccc(C(=O)OC)c1F	837060288	KXOURQNDRQZQAV-ZDUSSCGKSA-N	319.336	1.153	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc(F)cc1C#N	831535470	WRAMZKWBOQFVJG-KCJUWKMLSA-N	306.297	1.275	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1ccc2c(c1)CCO2	839404612	YRDQKVFHRMJKHA-UHFFFAOYSA-N	301.346	1.084	50	20	DDGD	
COCCOc1ccc(C(C)=NNC(=O)c2cnn(C)c2)cc1	735412375	YNHPULDYAGGTSJ-UHFFFAOYSA-N	316.361	1.599	50	20	DDGD	
Cc1ccccc1C1=NO[C@@H](C(=O)NNC(=O)C2CCCC2)C1	906085229	JPHNNLWZLCWDNR-OAHLLOKOSA-N	315.373	1.826	50	20	DDGD	
O=C(CN1CCSC1=O)NN=c1cc[nH]c2ccccc12	730288613	ORVAIJKCTQGSMK-UHFFFAOYSA-N	302.359	1.269	50	20	DDGD	
CON1CCC(=NNC(=O)Cn2cnc3ccccc32)CC1	834925835	RWEXOOVCMHMUJY-UHFFFAOYSA-N	301.350	1.166	50	20	DDGD	
CO[C@](C)(CNC(=O)NNC(=O)C(C)(C)C)c1ccccc1	836291584	DNLMMCVYNXLNKH-MRXNPFEDSA-N	307.394	1.925	50	20	DDGD	
CCCNC(=O)OC[C@H]1CCCCN1S(=O)(=O)CCl	831534856	SEEUXKUVGUOJEE-SNVBAGLBSA-N	312.819	1.503	50	20	DDGD	
C#CC1CCN(CC(=O)NNC(=O)c2cccc(Cl)c2)CC1	830334046	VFEREJQVHLNQEX-UHFFFAOYSA-N	319.792	1.446	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CC2(F)F)c2ccccc2n1	831712820	IIUVZTIFBQOMOG-NSHDSACASA-N	305.284	1.959	50	20	DDGD	
Cc1nc2sccn2c1C=NNC(=O)NCC(F)(F)F	917553427	KJFFVOVXXJQBOM-UHFFFAOYSA-N	305.285	1.900	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@@H]1C[C@H]1C(C)C	838761805	ZCFUTQZTESEWTC-QWHCGFSZSA-N	305.378	1.613	50	20	DDGD	
CCc1nc2ccc(C(=O)NN(C)CCOC)cc2nc1CC	837622595	VUFQVVBNKKYDSX-UHFFFAOYSA-N	316.405	1.978	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)NCCN1CCOCC1	837323996	WLIGCHWUQFMBAE-UHFFFAOYSA-N	312.801	1.607	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(C)c1	831417535	VIGSFPKCWCLBAK-CMPLNLGQSA-N	307.350	1.581	50	20	DDGD	
COC(C)(C)CNC(=O)NNC(=O)COc1cccc(C)c1	743672484	AUXPYCMXBYXCGG-UHFFFAOYSA-N	309.366	1.129	50	20	DDGD	
Cc1n[nH]cc1CNC(=O)NNC(=O)c1ccc(Cl)cc1	916580909	MIYHGHXIVTYRBM-UHFFFAOYSA-N	307.741	1.516	50	20	DDGD	
COc1cc(F)c(S(=O)(=O)NCCCSC#N)c(F)c1	916972456	PMGKLEGHMFVPFW-UHFFFAOYSA-N	322.358	1.856	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccc(F)c(C(N)=O)c1	916376489	NLKGMYJAKJECHW-UHFFFAOYSA-N	312.301	1.486	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CCO[C@H]2C)cc(OC)c1O	842558750	YZFGTYOJNSIPGK-ONGXEEELSA-N	308.334	1.285	50	20	DDGD	
Cc1cc(O)cc2c1C(=O)C(=NNC(=O)[C@H]1CCO[C@@H]1C)O2	842554010	HYZFFJIOKSCCIO-SCZZXKLOSA-N	304.302	1.130	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C[C@@H](C)OC)cc1	749468990	ILLPZMUEIDFHLQ-NEPJUHHUSA-N	324.377	1.425	50	20	DDGD	
CCOC(=O)C1(CNC(=O)NNC(=O)c2ccccc2)CCC1	740904289	XXWMXPWPPFLMDP-UHFFFAOYSA-N	319.361	1.364	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CNC2(C3CCC3)CC2)c1	844418409	QJDIEMZJRSIUAY-UHFFFAOYSA-N	301.390	1.678	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccccc1F)[C@@H]1CCOC1	743655990	XCXLATZDFWKRTA-ZYHUDNBSSA-N	309.341	1.124	50	20	DDGD	
CC(=O)NN=C(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1	916266997	SYNRURZONIHNCT-UHFFFAOYSA-N	323.418	1.721	50	20	DDGD	
O=C(NNc1c(F)cccc1Cl)[C@@H]1CCCS(=O)(=O)C1	845952392	ABBZLNGCKHPZOK-MRVPVSSYSA-N	320.773	1.747	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNC(=O)c2ccncc2)cn1	915273904	VMOAQXPVKILQFU-UHFFFAOYSA-N	300.318	1.339	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C)c1ccc(Cl)cc1	845103505	ROGUWSXHXBIMDS-VIFPVBQESA-N	311.769	1.116	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)c1ccccc1)[C@H]1CC1(C)C	842168515	XBAHZQYEFUWMDJ-ZIAGYGMSSA-N	303.406	1.862	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NNC(=S)Nc1ccccn1	913825647	KWQUQJNJOKTRSR-SNVBAGLBSA-N	307.423	1.272	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ncccc1Oc1ccccc1	910149374	DFODRJRUMWHEDZ-LBPRGKRZSA-N	301.346	1.831	50	20	DDGD	
CO[C@@H](C=NNC(=O)COCc1ccccc1)[C@@H]1CCOC1	841626926	UYSRLBNMEXKQQO-CABCVRRESA-N	306.362	1.357	50	20	DDGD	
Cc1cc(C)n2nc(C(=O)NNc3cccc(C#N)c3)nc2n1	748045683	BDDHMQXZHTZUMG-UHFFFAOYSA-N	307.317	1.370	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@@H](C)[C@H]1CCCNC1	841927231	NLVWLMZMJRJSEE-ZFWWWQNUSA-N	318.421	1.256	50	20	DDGD	
CC(=O)c1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)ccc1C	847224968	ZNKACKXNDYGILQ-WCQYABFASA-N	319.361	1.775	50	20	DDGD	
CSc1ccsc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843650430	CGBXXOCXWKNNNH-JGVFFNPUSA-N	300.405	1.656	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccccc1C(=O)c1cccs1	910178401	BOXDAZSXAZLRBC-LLVKDONJSA-N	318.398	1.937	50	20	DDGD	
CCOCC(=O)NN=Cc1ccc(Oc2cnccn2)cc1	743441661	KULORJVTDFRNFF-UHFFFAOYSA-N	300.318	1.756	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)CCC1Cc2ccccc2C1	844649976	FQGDLKUYVAUYSS-GFCCVEGCSA-N	324.446	1.788	50	20	DDGD	
COc1cc(O)c(C=NNC(=O)[C@H]2CCO[C@@H]2C)cc1OC	842563313	YLOAYOXPYUFXOK-KOLCDFICSA-N	308.334	1.285	50	20	DDGD	
CCCCC[C@H](O)C(=O)NNc1ncc(Br)cn1	848322406	AGRIESCFBYPMCA-VIFPVBQESA-N	317.187	1.623	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCc1nc2ccccc2[nH]1	843643230	CFXSUKLXHLLHHU-WDEREUQCSA-N	316.361	1.068	50	20	DDGD	
COCC[C@@H](C)CNC(=O)NNc1ncnc2ccsc12	840395666	MDXRWIGVRXBEJR-SECBINFHSA-N	309.395	1.990	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H]2CCN[C@@H](C)C2)c(F)c1	841990287	ZDVMOWYCUWJXFQ-GXSJLCMTSA-N	324.356	1.379	50	20	DDGD	
CC[C@H](N)CNC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	842007580	QMTXQABAYOOXRF-KOLCDFICSA-N	324.450	1.554	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1C[C@H]1CC(C)(C)C	843805180	MEBJSZSCRNKKAH-CMPLNLGQSA-N	311.426	1.511	50	20	DDGD	
CCN1CCC[C@H]1Cn1c(C)cc(C=NNC(=O)NC)c1C	920377442	DKXOAFUQKPEXGJ-HNNXBMFYSA-N	305.426	1.852	50	20	DDGD	
Cc1nnc(CN(C)S(=O)(=O)CC(C)(C)CCl)s1	867535567	JVRQWNRDHBGUFY-UHFFFAOYSA-N	311.860	1.873	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1ccc(N)cc1C	758116748	ISAXOXAJMOCNMV-UHFFFAOYSA-N	311.345	1.451	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc([N+](=O)[O-])cc2F)n[nH]1	758364422	YMVLXWRCKOCHIU-UHFFFAOYSA-N	322.256	1.232	50	20	DDGD	
C[C@](O)(CC(=O)NNC(=O)Cc1c[nH]c2ccccc12)C1CC1	755411023	NJEZEVLJLHIZPZ-KRWDZBQOSA-N	315.373	1.409	50	20	DDGD	
CC(C)N1CC(=NNC(=O)COc2ccccc2C#N)[C@@H](C)C1	754261578	XEOWHTFNRLKOAM-ZDUSSCGKSA-N	314.389	1.769	50	20	DDGD	
O=C(CCCOc1cccnc1)NNC(=O)OCC(F)(F)F	856021060	DVCJMHQOAJUUDZ-UHFFFAOYSA-N	321.255	1.560	50	20	DDGD	
CNC(=O)NNC(=O)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C	858748189	PLYVCYPAXBSXGZ-SNVBAGLBSA-N	316.402	1.276	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1c(C)n(C)c2ccccc12	853315375	UDYKRGVYSROKEP-CYBMUJFWSA-N	317.389	1.988	50	20	DDGD	
CCOCCOCCCC(=O)NNC(=O)Nc1ccccc1	854376560	BWPGWOIDTBEMIY-UHFFFAOYSA-N	309.366	1.673	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H]2CCN(C)c3ccccc32)n1	750719729	GTGJGMSPPZXELS-GFCCVEGCSA-N	313.361	1.552	50	20	DDGD	
N#Cc1ccc(Nc2cccc(C(=O)NNC(=O)CO)c2)cc1	753452317	PPFGRQGJLXSPGD-UHFFFAOYSA-N	310.313	1.055	50	20	DDGD	
CC[C@H](C)[C@H](O)CNC(=O)NC[C@]1(C)C[C@H]1Br	856955156	KFATXFOCLRTALM-XNDJQWLSSA-N	307.232	1.866	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cccc(F)n2)cnn1C(C)(C)C	856421613	CUTDSIBZNQWUFM-UHFFFAOYSA-N	319.340	1.555	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CCc2ccncn2)c1	755319011	MEGDCDAEVWPWPQ-UHFFFAOYSA-N	315.402	1.735	50	20	DDGD	
CC(C)(C)n1nnc(CNC[C@]2(C)C[C@@H]2Br)n1	856809911	RRUDFWGLNXBEFS-KWQFWETISA-N	302.220	1.691	50	20	DDGD	
Cc1ncc(C=NNC(=O)[C@H](C)Oc2ccccc2F)n1C	853274658	WPHGFWOBWLYBSS-JTQLQIEISA-N	304.325	1.785	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)/C=C\[C@@H]2CCOC2)c1C	855624964	XOBLRJGKXHQADH-ZHRWSRJISA-N	304.346	1.817	50	20	DDGD	
Cn1cc(C=NNC(=O)c2cccc(Br)c2)nn1	755746949	SPMTVQMIEJQNIQ-UHFFFAOYSA-N	308.139	1.342	50	20	DDGD	
CN(C[C@@H]1CCC[C@@H]1O)C(=O)NC[C@@]1(C)C[C@H]1Br	856952558	GGWRZSVAIOOIMB-MEWQQHAOSA-N	319.243	1.962	50	20	DDGD	
C[C@H](N)[C@@H]1CCCN(C(=O)NC[C@]2(C)C[C@H]2Br)C1	857105587	NNISGWCTDWLHKJ-WGBDABJCSA-N	318.259	1.929	50	20	DDGD	
COC(=O)C1(O)CCN(C[C@H](CBr)C2CC2)CC1	859223474	YNTVZQCVMNRBMU-NSHDSACASA-N	320.227	1.407	50	20	DDGD	
Cc1ccc([C@H](C)N(C)C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1	858693876	AZRSYLNQJVCBPY-AAEUAGOBSA-N	318.377	1.007	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1c2c(nc3ccccc13)CCC2	854927234	ZVMFNYYFHHPNCC-UHFFFAOYSA-N	314.414	1.804	50	20	DDGD	
C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NNC(=O)[C@@H]1CCC(=O)N1	858701311	VTHFNWQPAWGOBQ-WOPDTQHZSA-N	324.425	1.152	50	20	DDGD	
CC[C@@H]1COCCN1C(=O)NC[C@@]1(C)C[C@@H]1Br	856956947	XGTJCSMZXMZLOO-JFGNBEQYSA-N	305.216	1.980	50	20	DDGD	
Nc1cc(C(=O)NNc2ncccc2[N+](=O)[O-])cc(Cl)n1	759303100	CNIXLMQIIDYPAO-UHFFFAOYSA-N	308.685	1.377	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)c2cccc(F)n2)CCS1	852708846	JQRCAMDYRPTSKS-UHFFFAOYSA-N	312.370	1.403	50	20	DDGD	
C=C(CBr)CN1CC[C@@H](CN2CCCC2=O)C1	852680338	SVDMXUGAZVNRII-GFCCVEGCSA-N	301.228	1.882	50	20	DDGD	
CC(=O)N[C@](C)(C(=O)NNc1nccnc1C1CCC1)C(C)C	935978792	ZXXNVVFUIFPMJB-INIZCTEOSA-N	319.409	1.738	50	20	DDGD	
O=C(/C=C\c1cncc(O)c1)NNCC(F)(F)C(F)(F)F	863098008	XVINMMKSLMPWOH-UPHRSURJSA-N	311.210	1.619	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@H](c1ccncc1)C1CC1	934697327	WNEVAZXVXIYWQI-WBMJQRKESA-N	318.421	1.704	50	20	DDGD	
C[C@@H](CC(=O)NNc1nccc(N2CCOCC2)n1)C1CC1	762868193	MTXUYMHITMTCMT-NSHDSACASA-N	305.382	1.193	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)c1ccc(OCC2CC2)cc1	862475099	YWZFOASHKXKMQW-UHFFFAOYSA-N	300.318	1.273	50	20	DDGD	
O=C(NNC(=O)C1(F)CCOCC1)c1ccc(Cl)cc1F	866319533	ATFDVSIGOXCYIJ-UHFFFAOYSA-N	318.707	1.759	50	20	DDGD	
CCc1ccc(C(C)(C)C(=O)NNC(=O)c2cn[nH]c2)cc1	862472982	YXYPFFOXWVFKGE-UHFFFAOYSA-N	300.362	1.711	50	20	DDGD	
C[C@H](NNC(=O)c1cn(Cc2ccccc2)nn1)C(F)(F)F	862306027	AZKFGPOHRYNJSE-VIFPVBQESA-N	313.283	1.512	50	20	DDGD	
O=C(NNC(=O)c1ccnn1CC1CCC1)NC1CCCC1	865038739	XMARANAJYMXZBP-UHFFFAOYSA-N	305.382	1.570	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CCCOC1CCOCC1	864531243	ZDWFLNKYPRFXFH-UHFFFAOYSA-N	320.389	1.732	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](O)[C@@H](C)c2ccccc2F)nc1	867644662	WCWDEYOQKZWTKQ-BONVTDFDSA-N	319.336	1.837	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C2CCC[C@H](c3cccnc3)C2)N1	863153696	ZEGIDONQTJLOGQ-SMDDNHRTSA-N	300.362	1.490	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNc1ccc(C(C)(C)C)nn1	1117939615	WSTQASFZPQWOON-JTQLQIEISA-N	308.382	1.807	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCC(=O)N1CCCCC1	767942430	FGHQGUFYMZHACX-NSHDSACASA-N	319.243	1.925	50	20	DDGD	
CNC(=O)CCCN(C)C(=O)[C@H](Br)C(C)(C)C	768316737	CQULMNQDUCHFNJ-JTQLQIEISA-N	307.232	1.781	50	20	DDGD	
O=C(NNc1ccccc1)NC1CCN([C@H]2CCC[C@@H]2O)CC1	769157509	WHSFLOWHHWHHNP-HOTGVXAUSA-N	318.421	1.691	50	20	DDGD	
O=C(NNc1cccnn1)[C@H]1CCCCN1Cc1ccncc1	1116562207	ARNBNAIIFIMHTL-CQSZACIVSA-N	312.377	1.369	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccc3c(c2)CCN3C)n1	779380374	SQNFVEWQELQYMH-UHFFFAOYSA-N	312.377	1.292	50	20	DDGD	
CCCn1cc(C=NNC(=O)Cn2cnc3ccccc32)nn1	872330438	GSCIQDXNPXRCQG-UHFFFAOYSA-N	311.349	1.188	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)c1cncn1-c1ccccc1	1116242757	BRERYJHQVBMCRA-LBPRGKRZSA-N	316.361	1.306	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2c[nH]c3cccc(C#N)c23)CC1	872368878	SJQMWDLUUYRLAJ-UHFFFAOYSA-N	310.361	1.330	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1sc(Cl)nc1Cl	779820750	JMPCMEKFHJBWLZ-UHFFFAOYSA-N	311.150	1.256	50	20	DDGD	
Cc1nccc(NC(=O)NNC(=O)COc2ccc(F)cc2)n1	776493267	JJRBDPVFOGNRMU-UHFFFAOYSA-N	319.296	1.156	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](CC)Cc1ccccc1	772116119	RIKYXMCPLLTZKL-TZMCWYRMSA-N	320.389	1.744	50	20	DDGD	
CCSc1ccccc1C(=O)NNc1nnc(C)c(O)n1	875715924	QOMXVOKXVAQKMC-UHFFFAOYSA-N	305.363	1.755	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ccc(C(N)=O)cc1	777828875	VBCBYFHOLBVFNL-UHFFFAOYSA-N	313.313	1.329	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1n[nH]c2c1CCCC2	777828240	KCPFJHZEYROFIF-UHFFFAOYSA-N	314.345	1.832	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNC(=O)c1ccc2c(c1)OCO2	777958564	RHSDBGBXDWEITD-SNVBAGLBSA-N	308.334	1.239	50	20	DDGD	
CCC(=NNC(=O)NCC(=O)OC)c1ccc(Cl)s1	779823397	OZKKLEGVCFJVIT-UHFFFAOYSA-N	303.771	1.988	50	20	DDGD	
COCC(=O)NN=C(C)C[C@@H]1CCCN1C(=O)OC(C)(C)C	771878523	IAELNRPCHYLXFP-LBPRGKRZSA-N	313.398	1.915	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@@H]1OC[C@@H]2CCC[C@@H]21	880852970	YDWZYUCZIUVQCK-BIIVOSGPSA-N	302.243	1.620	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(F)cc1Cl)N1C(=O)CCC1=O	885136232	XZFHBZKHJDPFNH-ZETCQYMHSA-N	313.716	1.460	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@@]1(O)CCc2ccccc21	882011699	DKTNVBRVNKPJQU-ZDUSSCGKSA-N	303.811	1.369	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1	772854981	XRJLECSEABVBBP-GHMZBOCLSA-N	305.382	1.335	50	20	DDGD	
CO[C@@H](C)C(=O)NNc1ccccc1I	882141647	NZZJPQHFBZPGPP-ZETCQYMHSA-N	320.130	1.769	50	20	DDGD	
Cc1nn(C)cc1[C@@H]1CCCN1S(=O)(=O)CCCCl	881985605	CPTRUAHUNYGEPG-LBPRGKRZSA-N	305.831	1.824	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)C1CC1)c1cc(F)ccc1F	775456028	VOLOUFOGAJWLBI-CYBMUJFWSA-N	311.332	1.563	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)COc2ccccc2F)n[nH]1	888668561	PGYJCXDDMLRRAH-UHFFFAOYSA-N	320.324	1.341	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1O	882051423	LMZHXLJZHXJSRH-PUHVVEEASA-N	306.362	1.521	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@@H](O)c1ccc(Cl)cc1	887147085	XJXIKRVTQKJQDI-CYBMUJFWSA-N	308.765	1.714	50	20	DDGD	
Cn1cc(N2CCC[C@H](OC(=O)/C(C#N)=C\C3CC3)C2=O)cn1	786678655	SSNLOQNHTCXVEZ-VDBIKXPHSA-N	314.345	1.319	50	20	DDGD	
CCC[C@@H](C)N1C[C@H](C(=O)NNc2cccc(OC)n2)CC1=O	780771341	LZQIOPCABVPXTP-VXGBXAGGSA-N	320.393	1.570	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccnn2CC(F)F)c1	789930863	HNKMJBWIZLMKPN-UHFFFAOYSA-N	319.271	1.095	50	20	DDGD	
Cc1ccc([C@@H]2C[C@H](C)N(CC(=O)NNC(=O)C3CC3)C2)cc1	786124196	DETDZJIOQUNJMT-XJKSGUPXSA-N	315.417	1.730	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=S)Nc2ccc(N(C)C)cc2)CO1	784151342	DICAKELIWGOJCY-GHMZBOCLSA-N	322.434	1.495	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCc1nnc2n1CCCC2	784022309	RIESBAVMHMTQDX-LCYFTJDESA-N	324.340	1.970	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCCNC(=O)C1CC1	781082818	CFJKGFPIZBMPAT-VIFPVBQESA-N	305.216	1.438	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)CC1(c2ccccc2)CC1	781932640	VIENPXYAEBKMEV-ZDUSSCGKSA-N	303.406	1.596	50	20	DDGD	
Cc1ccncc1[C@@H](C)N[C@H](C)C(=O)NNC(=O)CC(C)C	783000885	CNQLYYVGQWFALQ-CHWSQXEVSA-N	306.410	1.623	50	20	DDGD	
COc1cc(CC(=O)NNC(=O)c2cccc(C)n2)ccc1C	794076194	NKYAWYUQONBDDT-UHFFFAOYSA-N	313.357	1.711	50	20	DDGD	
O=C(CNc1ccccc1)NN=C1CC(=O)N2CCCC[C@H]12	799467270	JGEZFEQUYLYCOU-CQSZACIVSA-N	300.362	1.356	50	20	DDGD	
Cc1cc(C(=O)NN=C2CC[C@@H](C)C[C@@H]2n2cncn2)n[nH]1	794523397	BKZQTWIFQLSURV-RNCFNFMXSA-N	301.354	1.457	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H]1CCCc2nn(C)cc21	799002648	RMEJDZXRRBWPBN-LLVKDONJSA-N	314.393	1.897	50	20	DDGD	
Cc1ccc2c(c1)S[C@@H](C(=O)NNc1nccn(C)c1=O)C2	1318911326	ZIKKUMMXPOCPJU-GFCCVEGCSA-N	316.386	1.249	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(C(N)=O)nc1	1318143108	LGTFHYNYZQGLJJ-UHFFFAOYSA-N	317.257	1.317	50	20	DDGD	
CC(C)N(C)CC(=O)NNc1cncc(Br)c1	1319761574	HDJGXXPZVQJJBY-UHFFFAOYSA-N	301.188	1.627	50	20	DDGD	
O=S(=O)(CBr)N[C@@H]1CCOc2ccc(F)cc21	272811679	NGPANSQMRGDCQU-SECBINFHSA-N	324.171	1.921	50	20	DDGD	
CN1C(=O)C[C@H](C(=O)NNC(=O)C(C)(C)C)c2ccccc21	1317927784	XLLKLKUFTXKGLF-NSHDSACASA-N	303.362	1.330	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)c2n[nH]c3c2CCCC3)c1C	1319588089	LHOBJUHWNHKVKT-UHFFFAOYSA-N	314.393	1.886	50	20	DDGD	
O=C(NNc1ncncc1F)C(=O)Nc1ccc2[nH]ccc2c1	1327838371	MKPJHFAMGYAVAP-UHFFFAOYSA-N	314.280	1.179	50	20	DDGD	
CC(=NNC(=O)C[N+](C)(C)C)c1cccc(OCCN(C)C)c1	1324553540	RZWSJOIRBXKWBE-UHFFFAOYSA-O	321.445	1.173	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cnn(-c2ccccc2F)c1	1338010597	OUICJWNGNVNLDF-UHFFFAOYSA-N	321.381	1.529	50	20	DDGD	
O=C(NN=CCCc1ccc2c(c1)OCCO2)C1CCOCC1	1262038412	LIRGYWONCOFCDX-UHFFFAOYSA-N	318.373	1.919	50	20	DDGD	
COC1CCC(NC(=O)NNc2nncc(N)c2Cl)CC1	1261296786	JLKOCHQDGNCVMA-UHFFFAOYSA-N	314.777	1.296	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCc2cc(C)on2)cc1	1343899747	RPPKXSVHMGTKRD-UHFFFAOYSA-N	303.318	1.385	50	20	DDGD	
COc1cc(C(=O)OC[C@@]2(C)C[C@H]2Br)ncn1	1348960413	BFOQBVXMDMQGEE-LDYMZIIASA-N	301.140	1.816	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H]3C[C@@H](C)CN3C2)o1	1528017327	MFRXMIKVBXZBON-RTXFEEFZSA-N	305.378	1.469	50	20	DDGD	
O=C(O)C[C@H]1CSCCN1S(=O)(=O)CCCCCl	1601967379	FWBKRRSXXSGQBB-VIFPVBQESA-N	315.844	1.227	50	20	DDGD	
Cn1nc(C2CC2)nc1/C(C#N)=C\c1cccc(-c2nn[nH]n2)c1	1606269033	YQBFCBCIABSCLR-JYRVWZFOSA-N	318.344	1.937	50	20	DDGD	
CC(C)(C)[C@H](C(=O)O)C(=O)NNC(=O)CCc1ccccc1	1602852225	IWNIFBVPTBQDOR-ZDUSSCGKSA-N	306.362	1.514	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCCc2ccc(C(=O)O)cc2)cn1	1608109084	HZCVBSJCGBNARI-NVNXTCNLSA-N	324.340	1.384	50	20	DDGD	
CCCCS(=O)(=O)/C(C#N)=C/c1cccc(-c2nn[nH]n2)c1	1604190985	XHWGRDOVTQHABJ-UKTHLTGXSA-N	317.374	1.946	50	20	DDGD	
CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC1(F)F	1609061051	YWGDCSURAWZKGV-JTQLQIEISA-N	306.276	1.628	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=c2cc[nH]c3cccnc23)cc1	1602324360	KDXLKKZRLLLVOZ-UHFFFAOYSA-N	308.297	1.507	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCCCC(=O)O)c1F	1604402182	XCRFCZCXQCUEGF-UHFFFAOYSA-N	312.297	1.700	50	20	DDGD	
CCOc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)cc1	1549315839	OLNXSFMAGJELHD-GOEBONIOSA-N	317.389	1.399	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NC[C@H]1CCC2(CNC2)O1	1578265695	GSFVWYSWGFMNAU-CQSZACIVSA-N	318.421	1.705	50	20	DDGD	
COc1cnc(C(=O)NNc2ccc(C(=O)O)c(Cl)c2)nc1	1599723556	PLVVEXZQCHRASM-UHFFFAOYSA-N	322.708	1.594	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1	1590748272	ATADNFKSQCHEJW-YWEFTTLKSA-N	312.333	1.488	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)Cc1ccc(C(=O)O)nc1	1592039833	PWGFBOMJEJIXER-UHFFFAOYSA-N	315.333	1.379	50	20	DDGD	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNc1nc2ccccc2[nH]c1=S	1594227375	GRRLYOVULXZCOD-UOWDBTKRSA-N	318.358	1.846	50	20	DDGD	
CC[C@](C)(NS(=O)(=O)c1ccc(CCl)cc1)C(=O)O	1594854313	WKPITTQPXAYELK-LBPRGKRZSA-N	305.783	1.957	50	20	DDGD	
O=C(CCl)N[C@H](c1cccc(-c2nn[nH]n2)c1)C(F)(F)F	1592859132	CWYVLCQXPZCOTI-SECBINFHSA-N	319.674	1.825	50	20	DDGD	
COc1cc(C(=O)O)ccc1S(=O)(=O)N1CC=C(C#N)CC1	1599381612	CVPYYGDIUJOUKD-UHFFFAOYSA-N	322.342	1.238	50	20	DDGD	
C[C@@H](Oc1cccc(C=NNC(=O)c2nccs2)c1)C(=O)O	1776109717	WIJVHSZOGFRLPH-SECBINFHSA-N	319.342	1.759	50	20	DDGD	
CCc1cc(C(=O)O)c(C=NNC(=O)COCCOC)s1	1776097938	LZXMEXKUSKQLQR-UHFFFAOYSA-N	314.363	1.122	50	20	DDGD	
Cc1nn(C)c(C)c1OCC(=O)NNc1ncccc1Cl	162941596	KOGDLWIDLKDGBG-UHFFFAOYSA-N	309.757	1.607	50	20	DDGD	
C/C(=C\c1ccccc1Cl)C(=O)NNC(=O)C(=O)NC(C)C	160282023	QRSVSWIVEGMPDF-CSKARUKUSA-N	323.780	1.415	50	20	DDGD	
C[C@H](C[S@](C)=O)NS(=O)(=O)c1ccc(CCCl)cc1	168099494	ABYPRKDOJIDRLJ-MLCYQJTMSA-N	323.867	1.513	50	20	DDGD	
CN(C)c1cccc(NC(=O)NNC(=O)CC2CCCC2)n1	152707306	RLSLAYJMBMQOQX-UHFFFAOYSA-N	305.382	1.881	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2ccnc(-n3cccn3)c2)c1	152484508	QWJYZZJQQAXNCK-UHFFFAOYSA-N	304.313	1.896	50	20	DDGD	
Cc1nc([C@@H](C)NC(=O)c2c(C)nn(CCCl)c2C)no1	153437438	NVXNKZYLSJKJFA-MRVPVSSYSA-N	311.773	1.921	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1cc(F)c(F)cc1F	157343031	SLHQXEZXEBSHOL-UHFFFAOYSA-N	319.283	1.013	50	20	DDGD	
C[C@H]1CC(=O)CC[C@@H]1C(=O)NNC(=O)Cc1ccccc1F	154290514	DMYKXDSKCFDXDG-GWCFXTLKSA-N	306.337	1.521	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cnn(-c2ccc(F)cc2)n1	154705056	ZDJBTPBPAAGCIN-UHFFFAOYSA-N	321.312	1.576	50	20	DDGD	
COc1ccc(NNC(=O)NC2CCN(C(C)(C)C)CC2)nc1	156933634	RTZMONFMYBHJOI-UHFFFAOYSA-N	321.425	1.979	50	20	DDGD	
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)OC(C)(C)C	491076630	PCGPYRXYQBQHML-VIFPVBQESA-N	317.386	1.846	50	20	DDGD	
CN(CCCN(C)S(=O)(=O)CCl)C(=O)OC(C)(C)C	841563763	DPQHUSATOOYBRN-UHFFFAOYSA-N	314.835	1.701	50	20	DDGD	
Cc1cc(S(=O)(=O)N2CC=C(C#N)CC2)sc1C(=O)O	871934648	KKRHVUMXUNVTFP-UHFFFAOYSA-N	312.372	1.599	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccc(Cl)cc2)[nH]n1	6295237	GIADGUQPBPMLJG-UHFFFAOYSA-N	308.725	1.212	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNC(=O)CCc1ccccc1	6981856	CSGHVOFEZZWTHA-UHFFFAOYSA-N	323.352	1.717	50	20	DDGD	
CS(=O)(=O)CCC(=O)NNc1cccc(C(F)(F)F)c1	103277345	CINWCBIKJLKLJW-UHFFFAOYSA-N	310.297	1.583	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccccc1)C(=O)OC(C)(C)C	57823619	DXLNFYFEQKRIAU-UHFFFAOYSA-N	307.350	1.315	50	20	DDGD	
O=C(NCc1cccc(Cn2cccn2)c1)NNc1ncccn1	57257597	CFBRGGOLUNGSPJ-UHFFFAOYSA-N	323.360	1.548	50	20	DDGD	
CCCN(CC(=O)NNC(=O)Cc1nc(C)cs1)CC1CC1	114724123	WTYNDELPEPNNBM-UHFFFAOYSA-N	324.450	1.263	50	20	DDGD	
Cc1cscc1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	175253060	LGJSRUWZYXIOQQ-ZDUSSCGKSA-N	318.354	1.658	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC	103074034	KQTQHYZTWIMTEH-UHFFFAOYSA-N	318.377	1.478	50	20	DDGD	
Cc1ccnc(NNC(=O)c2c[nH]c(=O)c(Br)c2)c1	176768690	KUFZLUGBNPVJBQ-UHFFFAOYSA-N	323.150	1.598	50	20	DDGD	
COc1ccc(Cl)cc1CC(=O)NNC(=O)c1ccncc1	170810277	USGCXBKTCNKWQW-UHFFFAOYSA-N	319.748	1.747	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1csc(-c2ccoc2)n1	108463706	UHPGVLMVPGARNH-UHFFFAOYSA-N	308.388	1.698	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCc1cccc(O)c1	66977359	BWZNCLWHSFJGLL-UHFFFAOYSA-N	317.320	1.604	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@]2(C)CCCO2)cc(C#N)n1C	176038297	UVWGHAVHRACRLS-VRXKTSEUSA-N	312.373	1.797	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@@H]1CCOC1	66959489	OGDWUCKABUXWJZ-GFCCVEGCSA-N	307.419	1.912	50	20	DDGD	
CC(=O)c1cccc(OCCCC(=O)NNc2cnccn2)c1	114878343	AWSHXKVLWPMMFH-UHFFFAOYSA-N	314.345	1.982	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCCC[S@](C)=O)cc1	110862375	PGTUYNPKUTVQQN-QOYCNBSOSA-N	320.414	1.877	50	20	DDGD	
CCN(CC)CC(=O)NNC(=O)Cc1c[nH]c2ccccc12	63679306	YYQADKLNKXEGFL-UHFFFAOYSA-N	302.378	1.200	50	20	DDGD	
CCOCC(=O)NNC(=O)CCSc1ccc(F)cc1	68323570	MYJKFXYCUNCHHW-UHFFFAOYSA-N	300.355	1.492	50	20	DDGD	
Cc1ccc(NNC(=O)NCCOCc2ccccc2)nn1	177580355	NEFACBLZWOENGH-UHFFFAOYSA-N	301.350	1.628	50	20	DDGD	
O=C(CCc1nc(-c2cccs2)no1)NNC(=O)NC1CC1	64429134	FQUNTKNTDXLGJZ-UHFFFAOYSA-N	321.362	1.224	50	20	DDGD	
Cc1nnnn1-c1cccc(NC(=O)NNC(=O)C(C)(C)C)c1	179742162	YCNKZYJJADXQMO-UHFFFAOYSA-N	317.353	1.170	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C	67236828	MGZAVRIQPAZSCS-SNVBAGLBSA-N	314.386	1.126	50	20	DDGD	
CC(C)c1cccc(OCC(=O)NNC(=O)NCC2CC2)c1	65192133	CEPSSXUWTDHLQA-UHFFFAOYSA-N	305.378	1.929	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccccn2)cc1[N+](=O)[O-]	181417349	KFVLIDINRQJOAF-UHFFFAOYSA-N	315.289	1.380	50	20	DDGD	
Cc1ccccc1-n1ncc(C(=O)NN(C)C(N)=O)c1C(C)C	189911462	QXLLTZRKJFCWPB-UHFFFAOYSA-N	315.377	1.959	50	20	DDGD	
C[C@@H](Oc1ccccc1)C(=O)NNC(=O)NCC(F)(F)F	124641793	BMCWTSJUUADLMW-MRVPVSSYSA-N	305.256	1.347	50	20	DDGD	
COc1cccc(NNC(=O)c2cccc(C(=O)N(C)C)c2)n1	180686368	ICXXEOHWJWTMAG-UHFFFAOYSA-N	314.345	1.549	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](C)Cc1cc(C)cc(C)c1	74769581	HNLGRSTWNFTTGS-ZDUSSCGKSA-N	307.394	1.601	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1ccc(F)cn1	184207727	PNXVHKDDCPSZDU-UHFFFAOYSA-N	308.338	1.469	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2c(O)cccc2O)c1	180863088	NMJJUVWHPHZLDL-UHFFFAOYSA-N	304.693	1.775	50	20	DDGD	
N#CCN(CC(=O)NNC(=O)c1ccccc1Cl)C1CC1	72583006	KLEFTKRZBFRZHN-UHFFFAOYSA-N	306.753	1.089	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)[C@@H]1CCCN(C)C1	73988087	ZMXKRXJLVBXUSI-CYBMUJFWSA-N	312.845	1.905	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCCNC(=O)C1CC1	181776705	GEUZEIBPRVVPJK-UKTHLTGXSA-N	301.321	1.375	50	20	DDGD	
Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)C(C)(C)C)cn2)n1	77220486	ZQLMORBUYHUFBJ-UHFFFAOYSA-N	315.377	1.691	50	20	DDGD	
CC(C)(C)OCc1cc(CNC(=O)NNc2cccnn2)no1	187118755	GOGKDZFLESTDIP-UHFFFAOYSA-N	320.353	1.606	50	20	DDGD	
Cc1ccc(CN(C)CC(=O)NNC(=O)c2ccccc2)s1	76342793	UASDGWZXQRLHDA-UHFFFAOYSA-N	317.414	1.950	50	20	DDGD	
COc1ccc(C(C)=O)cc1CC(=O)NNC(=O)NCC1CC1	139397228	WFJRVBWUPAUAPL-UHFFFAOYSA-N	319.361	1.181	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccccc1OC(F)F	81025167	HATCTACRTYBIOD-UHFFFAOYSA-N	321.283	1.687	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)Cc1ccccc1O	132017736	UPLPEEGMCGVMAP-UHFFFAOYSA-N	314.341	1.299	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@H]1COc2ccccc2C1	193304864	UTXDKHHLHIDWPY-SNVBAGLBSA-N	319.752	1.760	50	20	DDGD	
COCCOc1ccc(/C=C(\C#N)S(=O)(=O)N(C)C)cc1	195318824	HILJIADJMKQWFH-GXDHUFHOSA-N	310.375	1.468	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccncc2)nn1C(C)(C)C	192652326	ZTMDEDKUQBGCLG-UHFFFAOYSA-N	301.350	1.416	50	20	DDGD	
C[C@@H]1Sc2ccc(C(=O)NNC(=O)NC3CC3)cc2NC1=O	138681064	QKLOCQLMYIUCIW-ZETCQYMHSA-N	320.374	1.226	50	20	DDGD	
CCCCN(C)c1ccc(C(=O)NNC(=O)C(C)(C)O)cc1	190049873	LGKUWSVGVXMDLO-UHFFFAOYSA-N	307.394	1.455	50	20	DDGD	
CCN(CC)CCSCC(=O)NNc1nc2ccccn2n1	191911045	JMZTYURNZQQILH-UHFFFAOYSA-N	322.438	1.247	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCCN1CCCOCC1	194888711	AXUCIIAKPWZWLQ-NTCAYCPXSA-N	315.373	1.138	50	20	DDGD	
O=S(=O)(CCCCCl)NCc1ccc2c(c1)OCO2	163397949	ALJQYNOFFILJLN-UHFFFAOYSA-N	305.783	1.854	50	20	DDGD	
CCCN(CCC)C(=O)CCC(=O)NNC(=O)c1ccccc1	264162039	KGYNMUISQRSNBF-UHFFFAOYSA-N	319.405	1.876	50	20	DDGD	
COC(=O)[C@@H]1CN(CCO[Si](C)(C)C(C)(C)C)CCO1	616645607	FQFISJIUNDNZIH-LBPRGKRZSA-N	303.475	1.882	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N[C@H]1CC[C@H](O)CC1)c1ccccc1	269974756	MVPNVTKCRNEXIF-HDJSIYSDSA-N	319.405	1.598	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@H](C)Oc1ccccc1F	266500415	FKLFALMDRUGPAR-LLVKDONJSA-N	311.357	1.970	50	20	DDGD	
NC(=O)N1CCC[C@H]1C(=O)NNc1cc(F)c(F)c(F)c1	269612391	OYANVFJWVRUMKH-VIFPVBQESA-N	302.256	1.090	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCC(C)(C)C[C@@H](C)O	266786308	RZDCHCKICSJCHH-LLVKDONJSA-N	323.393	1.436	50	20	DDGD	
CC[C@H](COC)NC(=O)NNC(=O)C(C)(C)c1ccccc1	265805603	OJLPXQZXCYSXMP-CYBMUJFWSA-N	307.394	1.720	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@@H](C)[C@@H]2CCOC2)cc(C#N)n1C	271007714	MKCMBVWUHSGIAW-RUGXBRKDSA-N	312.373	1.653	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cccc(Br)c1F	277929738	UHRCZGVJOBFQHD-UHFFFAOYSA-N	301.115	1.759	50	20	DDGD	
Cc1cccc(CN2CCCC[C@H]2C(=O)NNC(=O)N(C)C)c1	365351940	HOSLVZRIEWPORV-HNNXBMFYSA-N	318.421	1.652	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H]2CCC(=O)[C@@H](C)C2(C)C)n1	275674283	QAYMJRJZNRSPNH-NXEZZACHSA-N	306.366	1.570	50	20	DDGD	
N#CC1=CCN(C(=O)CNC(=O)c2cccc(Cl)c2)CC1	271094329	ITOIZJLBMDUTMT-UHFFFAOYSA-N	303.749	1.752	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1c[nH]nc1-c1ccc(Cl)s1	275078890	CVYBFKHPNFJHLN-UHFFFAOYSA-N	310.766	1.963	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)COc2ccccc2F)CCO1	272081016	MSVQJFFUJKQDSQ-QWRGUYRKSA-N	310.325	1.167	50	20	DDGD	
O=C1CCC[C@@H](C(=O)NNc2ccccc2Br)N1	270524892	NJSXXJCBMWUFJP-JTQLQIEISA-N	312.167	1.561	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@@H]1CCOC[C@@H]1C	286687675	LPEQWKHPCNEJLE-RYUDHWBXSA-N	321.377	1.312	50	20	DDGD	
C[C@@]12CCC(=O)N1[C@@H](C(=O)NNc1ncccc1F)CS2	286078910	TXLUEZGUSNWILD-NOZJJQNGSA-N	310.354	1.118	50	20	DDGD	
C[C@@H]1CC=CC[C@H]1C(=O)NNc1nc2ccccc2c(=O)n1C	285510188	JRUTVGBWSSQNAY-VXGBXAGGSA-N	312.373	1.979	50	20	DDGD	
CCOC1(C(=O)NNC(=O)CCc2ccccc2O)CCCC1	287777915	YJBBOWJDDFBOLM-UHFFFAOYSA-N	320.389	1.822	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCCO3)O1	282622536	RUMBCECBKBDQTC-RULNRJAQSA-N	320.345	1.032	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NNc1ncccc1F	287626761	AZPTVSPTCSQJTD-UHFFFAOYSA-N	313.333	1.372	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NNc2ncccc2F)C1	285905672	HVUHDAXLDQNZNN-NEPJUHHUSA-N	322.384	1.949	50	20	DDGD	
CN(CCNC(=O)NNc1ncccc1F)Cc1ccccc1	286838569	KESKIHPUAOYEKU-UHFFFAOYSA-N	317.368	1.979	50	20	DDGD	
COCC1(CNC(=O)NNc2cccc(C(=O)OC)c2)CCC1	282593149	XJJBMVNGYBKKHI-UHFFFAOYSA-N	321.377	1.916	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NNc2nc(-c3ccccc3)no2)O1	282484744	HIPWRPJMQQXUAU-CKYFFXLPSA-N	302.334	1.993	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1OC[C@H]2COCC[C@H]21	289599704	DJFITDAYGRQWPU-GIPNMCIBSA-N	307.306	1.089	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1cccc(Cl)n1)N1CCCC1=O	293586425	BMPGTQGIMJQFEL-CYBMUJFWSA-N	310.785	1.825	50	20	DDGD	
O=C(CCCc1ccccc1)NNS(=O)(=O)CCCCF	295992439	PBXUKNVZQUFNIM-UHFFFAOYSA-N	316.398	1.710	50	20	DDGD	
CC[C@H](C)CCC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	803878315	UHZNOTQSNNWJMO-NWDGAFQWSA-N	300.399	1.938	50	20	DDGD	
O=C(Cc1cccc(Cl)c1F)NNC(=O)c1ccccn1	809937387	PHLHWGCBEUBTIY-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2ccc3c(=O)[nH]ccc3c2)CCO1	803437406	PDPJVPLNYQLUDP-ZYHUDNBSSA-N	301.346	1.786	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)c1cc2c(s1)CCC2	800315648	ZMKGMANFBWQAKX-RWEMILLDSA-N	308.403	1.811	50	20	DDGD	
C[C@H](CBr)COC(=O)C(C)(C)N1CCOCC1	805558031	XMUQSOQNOSSEJX-SNVBAGLBSA-N	308.216	1.671	50	20	DDGD	
Cc1nnsc1C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802123544	OBFTXVCPJDEIPP-UHFFFAOYSA-N	320.378	1.379	50	20	DDGD	
Cc1sc(CC(=O)NNC(=O)[C@@H]2CCCO2)nc1C(C)C	294474384	BFMATDFBJQTFLL-JTQLQIEISA-N	311.407	1.444	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)CC(C)C)[nH]c(C)c1C(=O)OC	298671970	FXLLYIHOVHTZRB-UHFFFAOYSA-N	323.393	1.869	50	20	DDGD	
O=C(NNC(=O)c1ccc(-n2ccnn2)cc1)Nc1ccccc1	801988153	NWPOAKVRXVUUBJ-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
O=C(CCc1cccnc1)NNc1ccc2c(=O)[nH]ccc2c1	803427608	VRDNABIFRVMXRQ-UHFFFAOYSA-N	308.341	1.999	50	20	DDGD	
COCC(C)(C)CNC(=O)NNC(=O)c1ccc(C#N)cc1	291713362	GOTJIJLEWAJVFH-UHFFFAOYSA-N	304.350	1.175	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1cncc(-n2ccnn2)c1	801952252	QKTQRROVSXTJEM-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
O=C(CN1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1)NNC(=O)c1cccs1	815160017	MCJRBCVYFWHVFR-ZDEQEGDKSA-N	319.430	1.487	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1cnc2ccc(Cl)cn12	815001444	KNKBNZMSPFRNKM-UHFFFAOYSA-N	314.736	1.960	50	20	DDGD	
COc1nccnc1NNC(=O)COc1cc(F)cc(F)c1	811074185	JSVHVJOBQHNZTM-UHFFFAOYSA-N	310.260	1.286	50	20	DDGD	
Cc1nn(-c2ccccn2)c(C)c1C=NNC(=O)Cc1cc[nH]n1	814955271	ZCYAUSHZJCTRLE-UHFFFAOYSA-N	323.360	1.300	50	20	DDGD	
CCCNC(=O)NN=C1CCCc2ccc(S(N)(=O)=O)cc21	811639493	BGTSLJSVAAGIQZ-UHFFFAOYSA-N	324.406	1.084	50	20	DDGD	
O=C(C[C@H](c1ccccc1)c1ncc[nH]1)NNC(=O)C1CCC1	819879380	MRWFIKPZMHBPGH-CQSZACIVSA-N	312.373	1.879	50	20	DDGD	
COC(=O)[C@H]1C[C@H]2CC(=NNC(=O)c3cccc(C)n3)[C@H]1C2	817328099	WRAXIKWRSLEXTC-SRVKXCTJSA-N	301.346	1.695	50	20	DDGD	
N#CCCCC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O	812454919	VHAGUMPXSQSWQT-UHFFFAOYSA-N	313.317	1.033	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)c1F)c1ccc2c(c1)OCO2	726521394	DZUPEXZEZISGCP-UHFFFAOYSA-N	320.251	1.768	50	20	DDGD	
CCCC(Cc1ccccc1)=NNC(=O)[C@H]1CCS(=O)(=O)C1	727255158	FEWRJDGPOKRDGL-AWEZNQCLSA-N	322.430	1.936	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc([C@@H](C)N)cc2)n1	817943022	HSNXLIUGEJYZDR-SNVBAGLBSA-N	301.350	1.570	50	20	DDGD	
COc1cc(C=NNC(=O)CN(C)C)ccc1OC(=O)C1CC1	727649633	OPAGAPRLVNJUFK-UHFFFAOYSA-N	319.361	1.022	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cccc(N(C)C)c1)C1CC1	727270323	GMAPQUZZGVDLHB-JTQLQIEISA-N	306.435	1.660	50	20	DDGD	
CC(CSC(C)(C)C)=NNC(=O)[C@@H](C)CN1CCOCC1	729636871	QJGHLAKWAFVVOE-LBPRGKRZSA-N	315.483	1.979	50	20	DDGD	
O=C(NN=Cc1ccc(-c2nn[nH]n2)o1)c1c[nH]c2ccccc12	823273470	OOILGXDDLAHCBM-UHFFFAOYSA-N	321.300	1.705	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cc(OC)c(OC)cc1C	490724890	CCIJAQAQLKWAMD-JYRVWZFOSA-N	304.346	1.682	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@@H](Cc2ccccc2)[C@H]1C	827962969	AEPQKAOMKWAXPG-ZBFHGGJFSA-N	317.433	1.743	50	20	DDGD	
COC(=O)NNC(=O)COc1ccc(Oc2ccccn2)cc1	495447599	HKQXTFUBZHMKJO-UHFFFAOYSA-N	317.301	1.640	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@]1(C)CC1(Cl)Cl	826907410	PAHSCWQHQYRRRC-RNSXUZJQSA-N	324.208	1.326	50	20	DDGD	
CN(C(=O)/C(C#N)=C/c1cn(CC(=O)O)nn1)C1CCCCC1	490782856	LFIHSWLLKGWTIG-YRNVUSSQSA-N	317.349	1.061	50	20	DDGD	
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)C(C)(C)C	491041595	OKXVJXFCLAXLIC-VIFPVBQESA-N	301.387	1.483	50	20	DDGD	
COc1cc(CNC(=O)NNC(=O)CC(C)(C)C)ccc1O	728742296	AMJMHUFUGQMCLO-UHFFFAOYSA-N	309.366	1.667	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)OC(C)(C)C)NC(=O)C1CCCC1	491074588	CKPPFZSXOFFLLS-SNVBAGLBSA-N	313.398	1.627	50	20	DDGD	
Cc1cccnc1C(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1	826307917	BFONINZHVVHAIM-UHFFFAOYSA-N	307.317	1.334	50	20	DDGD	
CCOc1ccccc1[C@@H](CC)NCC(=O)NNC(=O)C(C)C	828656174	QOOJUXVMHNFZEF-CQSZACIVSA-N	321.421	1.929	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNc1cccc(-c2nn[nH]n2)c1	826339018	ONWYYYJFWJJDTR-UHFFFAOYSA-N	313.321	1.157	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NC(C1CCC1)C1CCC1	826783701	GDDWCLSWYVIXRU-MFKMUULPSA-N	309.410	1.711	50	20	DDGD	
CO[C@@H]1C[C@H](NC(=O)/C(C#N)=C/c2cnn(C)c2)C12CCC2	491088147	YRXGHIXJVYGZIA-GNZFURHMSA-N	300.362	1.401	50	20	DDGD	
C#C[C@@H](CC)NC(=O)NNC(=O)NCc1ccc(Cl)cc1	491314537	HGXQVKKUIMYXFD-LBPRGKRZSA-N	308.769	1.765	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CC(F)(F)F	490690669	KGJMSVPQFDRYJP-UHFFFAOYSA-N	313.276	1.001	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(N2CCCC2)nc1	727103585	RJJZNXPFHMNNLR-UHFFFAOYSA-N	305.382	1.426	50	20	DDGD	
C/C(=C/c1ccc(Br)o1)C(=O)NN(C)[C@@H](C)CO	823907573	NFJLJYYGIUZIJR-XZLDQRQTSA-N	317.183	1.789	50	20	DDGD	
C[C@@H](CC(=O)N1CC[C@@H](B(O)O)C1)C(=O)c1cccc(F)c1	585064921	CBGOXUGCUCFPPB-CMPLNLGQSA-N	307.130	1.110	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2ccc3c(c2)OCCO3)n1	725856049	KCEGXPHXOJLEGB-UHFFFAOYSA-N	317.370	1.916	50	20	DDGD	
CC(C)[C@@H](CNC(=O)c1cccc(B(O)O)c1)c1ccccc1	584927873	BZAWJWVNUJRCRL-QGZVFWFLSA-N	311.190	1.536	50	20	DDGD	
COc1ccc(SC)c(OC)c1C(=O)NN(C)[C@H](C)CO	823938975	DJKMIJCYPWXLSC-SECBINFHSA-N	314.407	1.383	50	20	DDGD	
CCCCN(C)C[C@H](C)NC(=O)/C(C#N)=C/c1cnn(C)c1	491051767	UBYJZLQZVDKIRZ-LIOBOASVSA-N	303.410	1.564	50	20	DDGD	
COc1cc(Br)cc(C(=O)NN(C)C[C@H](C)O)c1	822557605	MTKHAGQSDDQARM-QMMMGPOBSA-N	317.183	1.415	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1csc2ccccc12	497181270	WFZVEEPWYNQERS-UHFFFAOYSA-N	300.361	1.841	50	20	DDGD	
CCn1cc(C=NNC(=O)c2cnn(-c3ccccc3)c2)cn1	733078738	ULPRCNVXUNMDOQ-UHFFFAOYSA-N	308.345	1.853	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cccc(OC)c1OC(C)C	823951690	TVLYNFGRRJOVFK-UHFFFAOYSA-N	309.366	1.836	50	20	DDGD	
C/C(=C(/F)C(=O)NNC(=O)COc1ccccc1O)C1CC1	900617684	CMYKFXRSYDDDQJ-ZROIWOOFSA-N	308.309	1.572	50	20	DDGD	
O=C(Cc1csc(-c2ccoc2)n1)NNC(=O)c1ccc[nH]1	737777504	CUHGRZXCEUJWHL-UHFFFAOYSA-N	316.342	1.735	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCCCC[C@@H]1c1ccncc1	584929730	ORZQUXRXRMMLSV-QGZVFWFLSA-N	324.189	1.519	50	20	DDGD	
CCn1cc(C=NNC(=O)CCCNC(=O)C(C)(C)C)c(C)n1	901262867	NTYAMTWAHUCMGU-UHFFFAOYSA-N	321.425	1.604	50	20	DDGD	
CCOC(=O)N[C@H](C(=O)NNc1nccnc1Cl)C(C)C	491378803	PWTBBCKONWQNFV-QMMMGPOBSA-N	315.761	1.344	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H]1CC(c2ccccc2C)=NO1	906424500	FHZJKEKKTWEEHN-ZDUSSCGKSA-N	304.350	1.228	50	20	DDGD	
CSC[C@@H](C)C(=O)OCC(=O)NNC(=O)c1cccs1	731391891	PJVWLXLXHNQJHJ-MRVPVSSYSA-N	316.404	1.051	50	20	DDGD	
Cc1csc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)c1	837764426	VYQKUXZJXRNGCX-JTQLQIEISA-N	312.391	1.795	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NNc2ccccn2)C1	496273729	JOLYGUCUKAAAHD-PHIMTYICSA-N	306.366	1.828	50	20	DDGD	
C[C@H](C[C@H](O)c1ccc(F)cc1)NCc1ccc(B(O)O)cc1	585035200	QRPGWTWCEFJFQZ-PXAZEXFGSA-N	317.169	1.107	50	20	DDGD	
CCn1cccc1C=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1	834932204	CJLIOYYRYLBQPD-ILXRZTDVSA-N	320.437	1.703	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1	837604590	QWCIMPQMLVFNFM-BIMULSAOSA-N	317.345	1.463	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCOc3c(Cl)cccc32)o1	585017924	CJWFRTLNPCZDHW-GFCCVEGCSA-N	307.542	1.226	50	20	DDGD	
COC(=O)[C@H](C)Oc1ccccc1C=NNC(=O)CC1CC1	901248089	QSRNSDHDWFQGPT-NSHDSACASA-N	304.346	1.877	50	20	DDGD	
C[C@@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)[C@@H]2CCCC[C@H]12	584927608	AAXNNRAMIKVOPL-AXAPSJFSSA-N	319.185	1.546	50	20	DDGD	
O=C(C[C@H]1CCc2ccccc2C1)Nc1cccc(B(O)O)c1	584910509	CBNHUMKSKQSUNQ-ZDUSSCGKSA-N	309.174	1.500	50	20	DDGD	
CN(CCCC(=O)NNc1cc(F)c(F)cc1F)C(=O)O	737426335	CPALDYQWGJQBFH-UHFFFAOYSA-N	305.256	1.937	50	20	DDGD	
Cc1cc(C)c(C)c(S(=O)(=O)N2CC[C@@H](B(O)O)C2)c1C	585060886	LKJCGHWUMWAEKC-CYBMUJFWSA-N	311.212	1.158	50	20	DDGD	
COCCCOCCC(=O)NNc1cc(C#N)cc(Cl)n1	831543719	LPTACNDWJFDLCY-UHFFFAOYSA-N	312.757	1.493	50	20	DDGD	
CCc1nc(C(=O)NNc2cnccn2)nn1-c1ccccc1	735519580	DUUYUTCYAFFEGX-UHFFFAOYSA-N	309.333	1.377	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)CS(=O)(=O)C1CC1	835075559	YIEPZDADRBQCSO-UHFFFAOYSA-N	313.331	1.694	50	20	DDGD	
COCC[C@H](C)NC(=O)NNc1cccc(C(=O)OC)c1F	838120957	YAPGVCXFLQZETQ-VIFPVBQESA-N	313.329	1.663	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1ccccc1OC)C(F)F	836292572	RVXJBNOQFZGLOY-SECBINFHSA-N	301.293	1.683	50	20	DDGD	
C[C@H](CNCc1ccccc1B(O)O)COCc1ccccc1	585018669	OHQKQPWNTIPKFD-OAHLLOKOSA-N	313.206	1.309	50	20	DDGD	
O=C(NNc1cccc(F)c1F)N[C@@H]1C[C@@H]2CCCCN2C1=O	838740347	CCZOFEWYUCFJAW-JOYOIKCWSA-N	324.331	1.744	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H](C)[C@H](OC)C1CC1	836291844	JWPVUOBZHUMYPG-YGRLFVJLSA-N	321.377	1.453	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)N[C@@H]1CC12CCOCC2	836613252	QBRNHTFMNBTSQQ-CYBMUJFWSA-N	321.352	1.268	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)[C@H](O)c1cccnc1	732284753	ASMZDEDZUUNOBY-MRXNPFEDSA-N	313.357	1.285	50	20	DDGD	
O=C(NN=Cc1cc(Cl)ccc1[N+](=O)[O-])C(=O)N1CCCC1	739409569	HMHRKHMPJQJOBG-UHFFFAOYSA-N	324.724	1.321	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N(C)C2CC2)cc(-c2nn[nH]n2)n1C	737212574	LAVHWUABJYMWSP-IZZDOVSWSA-N	311.349	1.041	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)c2ccc(Cl)cc2O)cn1	734015899	YZXDBJXGMKIBFR-UHFFFAOYSA-N	308.725	1.337	50	20	DDGD	
COc1cc(C)nc(COC(=O)/C(C#N)=C/c2cnn(C)c2)c1	837970972	KGMRUJHRSVHZRG-WLRTZDKTSA-N	312.329	1.783	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)CSC2CC2)c1	837872736	LUQHHATUSVBASX-UHFFFAOYSA-N	322.386	1.195	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cn2nc(C)cc2C)c(F)c1	837211258	SXRFEDVHAJXEJI-UHFFFAOYSA-N	320.324	1.569	50	20	DDGD	
CC(=O)NC1(C(=O)NNc2ccc(C(=O)O)cn2)CCCCC1	833396002	MHBCJULJLZXJLX-UHFFFAOYSA-N	320.349	1.062	50	20	DDGD	
O=CN1CCC[C@@H]1C(=O)NNc1ccccc1OC(F)(F)F	832518040	UPRLKRKCJISBPQ-SNVBAGLBSA-N	317.267	1.649	50	20	DDGD	
CC(C)C[C@@H](NC(=O)O)C(=O)NNc1nccnc1Cl	736417983	YYKOBRTVAWWELI-SSDOTTSWSA-N	301.734	1.255	50	20	DDGD	
Cc1n[nH]c(C)c1C=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1	915955154	WMGFRKYUNPQZOO-WOPDTQHZSA-N	321.425	1.222	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)C1=NO[C@H](c2ccccc2)C1	919816934	JMNVALVLBZRTLT-JTQLQIEISA-N	315.251	1.604	50	20	DDGD	
O=C(NNc1ncccc1F)C1CN(C(=O)C2CCCCC2)C1	836788753	YVEINNFCEBHYMC-UHFFFAOYSA-N	320.368	1.703	50	20	DDGD	
Cn1c(=NNC(=O)C[C@@H]2CCC(=O)NC2)sc2ccccc21	836291915	YDMDEUIKVVHEGC-JTQLQIEISA-N	318.402	1.088	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)[C@@H]1CCCCO1)c1c(F)cccc1F	833243593	USNGVJPDHUJOTH-SKDRFNHKSA-N	312.316	1.785	50	20	DDGD	
O=C(O)[C@@H]1C[C@@H]1CNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	910593148	LAHWXRQSFCPRRM-PHQOXQJPSA-N	316.195	1.777	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2c(C)nn(C)c2C)cc1	917030086	DXXIUYRIIWTRGR-UHFFFAOYSA-N	313.361	1.434	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cnc2ccccc2n1	748259153	GGBJNFWMCUHBCJ-LLVKDONJSA-N	302.334	1.131	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CC23CCOCC3)cc1F	837050780	SICYKPRAPCTHKT-GFCCVEGCSA-N	322.336	1.872	50	20	DDGD	
C[C@]1(C(=O)N2CCC(c3nn[nH]n3)CC2)C[C@H]1Br	913745945	HXGMHYJGNKQKJZ-KCJUWKMLSA-N	314.187	1.079	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cnn(-c2ccccc2)c1)[C@@H](C)O	842231063	FCBKWGAMXJEVDY-RISCZKNCSA-N	316.361	1.040	50	20	DDGD	
C[C@H](C(=O)NNC(=O)N1CCOCC1)c1ccc(Cl)cc1	845337576	YFIFTBPLICOQIQ-JTQLQIEISA-N	311.769	1.517	50	20	DDGD	
CC(=O)N1CCC(C(=O)NNc2cccc3cnccc23)CC1	748758795	DLVIYVAQYXWMPH-UHFFFAOYSA-N	312.373	1.936	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(C(F)(F)F)nc1	843646264	VSWSTGIQYUXEJW-VXNVDRBHSA-N	317.267	1.286	50	20	DDGD	
CCNCCCNC(=O)NNC(=O)[C@H](CC)c1ccccc1	841917631	QTKWOUBXEXTZFL-CQSZACIVSA-N	306.410	1.510	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)[C@H]1CCCS(=O)(=O)C1	846210687	BKYBLHGLIPKXNI-QMMMGPOBSA-N	303.771	1.003	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1c[nH]nc1-c1ccncc1	916146729	YMMFWWOIVZRKFU-UHFFFAOYSA-N	321.340	1.855	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H](C)CN2CCC(C)CC2)n(C)n1	841614066	GAEFUXMIBYZZGI-ZDUSSCGKSA-N	305.426	1.547	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	746090611	GTYIPRCKPWROOV-PHIMTYICSA-N	320.349	1.229	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@H](C)Cc1cnc[nH]1	847580681	BALNIQWZWNTZFW-GFCCVEGCSA-N	300.362	1.287	50	20	DDGD	
O=C(Cc1ccc2c(c1)OC(F)(F)O2)NNC(=O)C1CCC1	845482809	IRPBWTGAJGGXKU-UHFFFAOYSA-N	312.272	1.498	50	20	DDGD	
CCn1ncc(C=NNC(=O)[C@H](C)Oc2ccc(F)cc2)n1	841610619	KFPSRKQFJWTUNE-JTQLQIEISA-N	305.313	1.355	50	20	DDGD	
CCOCC(=O)NN=Cc1cn(-c2cccc(C)c2)nc1C	844582632	MWAFWLARQSRETH-UHFFFAOYSA-N	300.362	1.976	50	20	DDGD	
Cc1nc(CCCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cs1	843655504	VUTRYDOXVOTVNC-BXKDBHETSA-N	311.407	1.347	50	20	DDGD	
Cc1nn(C(C)C)cc1C(=O)NNc1cc(Cl)nc(N)n1	847706608	HHFIGANIMHKDFS-UHFFFAOYSA-N	309.761	1.555	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cc(C)nn1Cc1ccccc1	840925788	OSWGDONIIFIHFW-UHFFFAOYSA-N	317.349	1.975	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CC[C@H](C)CC1	845422540	CFIMBLPDMGEBAW-AVGNSLFASA-N	312.410	1.938	50	20	DDGD	
Cc1nc(C(C)(C)NCC(=O)NNC(=O)C2CC2)sc1C	744424706	QJADIXRKAAPPSQ-UHFFFAOYSA-N	310.423	1.142	50	20	DDGD	
O=C(NCCOCC(F)(F)F)NNc1cncc(Cl)n1	916323717	GRWJJBGMECVJLE-UHFFFAOYSA-N	313.667	1.335	50	20	DDGD	
Cc1cc(C)c(CC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(C)c1	843656241	AHLBIHUYJRFMDS-ZIAGYGMSSA-N	304.390	1.727	50	20	DDGD	
O=C(Cn1nnc2c1CCCC2)NNc1c(F)cccc1F	847601651	AGSNKNPTAMDYIX-UHFFFAOYSA-N	307.304	1.578	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC[C@H]1CCCN1)c1ccccc1	841936852	LPKRISRJJRBICV-ZIAGYGMSSA-N	304.394	1.263	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc2c(c1)CCO2	740762379	OCMVGTSTEKJQRG-UHFFFAOYSA-N	303.362	1.376	50	20	DDGD	
CCC(=NNC(=O)C(=O)NC1CC1)c1cccc([N+](=O)[O-])c1	915955886	MQUZMQBZYXTUPL-UHFFFAOYSA-N	304.306	1.104	50	20	DDGD	
Cc1ccccc1-c1noc(C)c1C(=O)NN(C)C[C@H](C)O	910149802	JAZXRNUMMSESSD-NSHDSACASA-N	303.362	1.916	50	20	DDGD	
CC(C)O[C@@H]1CCCN(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)C1	846719436	XQQYFAXYOHVEJU-JHJVBQTASA-N	313.398	1.042	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCCC[C@@H]1C=NNC1=O	912469677	FMGPXUQHLMKZLJ-BDAKNGLRSA-N	318.215	1.424	50	20	DDGD	
O=C(NNc1ccc(F)cc1)N[C@H]1CCN(CC(F)F)C1	842195963	KFEXIWRROWVYPO-NSHDSACASA-N	302.300	1.791	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)[C@H](C)CN2CCOCC2)C12CCC2	741162717	BYSWKCFDTSMJKG-HIFRSBDPSA-N	323.437	1.406	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccc(C(F)(F)F)c1O	847687722	VBIWJPIAIGHAKZ-UHFFFAOYSA-N	305.256	1.717	50	20	DDGD	
CC1(O)CCC(NC(=O)NNC(=O)CCc2ccccc2)CC1	749594911	FCTPLFOWDSARPQ-UHFFFAOYSA-N	319.405	1.643	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=CC1=Cc2ccccc2OC1	748256538	BYAPZHLWJDHHQP-GFCCVEGCSA-N	304.346	1.616	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=S)Nc1ccccc1	740772274	JPGWXDITDRDQPI-UHFFFAOYSA-N	308.407	1.309	50	20	DDGD	
COc1ncc(C(=O)NNc2ccc(OC(F)F)cc2)cn1	748650625	PSCKCCLNJXRNPU-UHFFFAOYSA-N	310.260	1.844	50	20	DDGD	
O=C(NCC1CCCC1)NNC(=O)Nc1ccc2c(c1)OCO2	743809983	ABFVDZBGRUXJIE-UHFFFAOYSA-N	320.349	1.941	50	20	DDGD	
O=C(NCCN1CCc2ccccc21)NNC(=O)c1ccc[nH]1	926792916	WSXSMMFXGXFGMT-UHFFFAOYSA-N	313.361	1.021	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C(=O)OC(C)(C)C)C(C)C)n[nH]1	843841681	DOJDMCZHHKVKTQ-LLVKDONJSA-N	324.381	1.093	50	20	DDGD	
C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NNC(=O)NCCC	921039190	INURQBMFRAQFKB-NSHDSACASA-N	316.361	1.242	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCCn1nc(C(F)(F)F)cc1C	927470254	VRWOYJVQSIKGSZ-NTMALXAHSA-N	316.283	1.771	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cccc(OC[C@@H]2CCCO2)c1	921041562	ASBYPLLJCVTIJS-AWEZNQCLSA-N	321.377	1.598	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(Oc2cccnc2)nc1	757781668	HUCNPDCWEIHEAZ-UHFFFAOYSA-N	317.305	1.068	50	20	DDGD	
COCC(COC)NC(=O)NNc1ccc(Cl)c(C)c1	922726091	QMFHWNKLSDLMBT-UHFFFAOYSA-N	301.774	1.936	50	20	DDGD	
CSc1ccc(C=NNC(=O)C(=O)Nc2ccccn2)cc1	758379939	JAECPLNQEJDZDW-UHFFFAOYSA-N	314.370	1.892	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cnc(C)nc2)c(O)c1	756370087	GHCNWTKEYIYBLB-UHFFFAOYSA-N	301.306	1.266	50	20	DDGD	
C[C@H](C#N)CSc1ccccc1NC(=O)NNC(=O)CO	756478143	FQNQUOUQGRLOFK-SECBINFHSA-N	308.363	1.083	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CC(CN(C)C)C2)cc(C#N)n1C	854723327	XAHPYQDLHVWURH-PJQLUOCWSA-N	311.389	1.132	50	20	DDGD	
Cn1nnc2cc(C(=O)NC[C@@]3(C)C[C@H]3Br)cnc21	857394478	NDIBGGKECDFEEL-BXKDBHETSA-N	324.182	1.267	50	20	DDGD	
CC(C)C[C@@H](CCO)CNC(=O)NNC(=O)CC(F)(F)F	754374729	IVAUPGBWBFVGDB-SECBINFHSA-N	313.320	1.314	50	20	DDGD	
Cc1noc(CN(C)C(=O)NC[C@]2(C)C[C@H]2Br)n1	856960028	LERDJSJRTHYZDI-KCJUWKMLSA-N	317.187	1.693	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)OCC(F)(F)F	856024236	NFKZVXMETSMGAM-UHFFFAOYSA-N	321.211	1.837	50	20	DDGD	
CNC(=S)N(C)NC(=O)C[C@@H](C)C(=O)c1cccc(F)c1	854924698	OASZFVBAQCJAFA-SECBINFHSA-N	311.382	1.502	50	20	DDGD	
NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ccc(-c2ccccc2)nn1	857149583	XOAOXWXWAAOKDB-NEPJUHHUSA-N	311.345	1.098	50	20	DDGD	
COCC(C)(C)C=NNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C	853373458	WUBXAKMBDRZJKR-CHWSQXEVSA-N	322.409	1.662	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H]2C[C@]23C(=O)Nc2ccccc23)n1	929716508	SFEJWJZJAZPTSD-SJKOYZFVSA-N	323.356	1.447	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1cc[nH]n1)N1CCc2ccccc21	855355324	WROVPFTYXKNLRD-LLVKDONJSA-N	313.361	1.012	50	20	DDGD	
COCCC(=NNC(=O)[C@@H]1COc2ccccc2O1)C(C)C	756818760	BYWULHOPKHUVPM-HNNXBMFYSA-N	306.362	1.991	50	20	DDGD	
Cc1ccc(C(=O)NNC(=S)N[C@H](C)C2CC2)c(O)c1C	855099027	PYICRUWKXGYWHP-SNVBAGLBSA-N	307.419	1.916	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1c[nH]nc1-c1ccoc1	855090599	ZRRGRAMOXOQYIP-UHFFFAOYSA-N	319.390	1.579	50	20	DDGD	
Cc1ccc(N)cc1S(=O)(=O)NN(C)C(=O)OC(C)(C)C	851796001	QVDIBQJJZAKAOX-UHFFFAOYSA-N	315.395	1.637	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(C(F)(F)F)nn1C	853000927	IPSQSGOOCPJMLN-SXPLAPADSA-N	316.283	1.497	50	20	DDGD	
O=C(COCc1ccccc1)NN=Cc1ccnn1CC1CC1	853311038	WHDOZBUBXCUSOT-UHFFFAOYSA-N	312.373	1.960	50	20	DDGD	
Cc1ncc2n1C[C@@H](C(=O)NNC(=O)OCC(F)(F)F)CC2	856019214	RRRRVMHCSUWQHQ-QMMMGPOBSA-N	320.271	1.074	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(C)c(NC(C)=O)c1C	756143738	QCYQWGCFXKGSND-UHFFFAOYSA-N	308.338	1.061	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)OCC(F)(F)F	856027105	ZOEYAQNXZWQLNC-VIFPVBQESA-N	320.223	1.146	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)s1	755276150	JTHSBFBQTQIFEU-UHFFFAOYSA-N	306.391	1.772	50	20	DDGD	
Cc1ncc(CNC(=O)NNC(=O)c2ccccc2F)s1	920044955	YZNWHEMAPUUJGT-UHFFFAOYSA-N	308.338	1.735	50	20	DDGD	
CN1CC[C@@H](C(=O)NNC(=O)NC2CCCC2)c2ccccc21	750726353	NYARBIVLYIGOGZ-CQSZACIVSA-N	316.405	1.883	50	20	DDGD	
COC[C@H](OC)C(=O)NNc1ccc(C#N)cc1C(F)(F)F	854336912	ROHPWEUXHRTOBI-NSHDSACASA-N	317.267	1.682	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1cccc(C(F)F)c1	756299767	IVGNTOYKZUDQEZ-UHFFFAOYSA-N	307.260	1.881	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)C(F)(F)c1nccs1	757603592	QGWJMIZBYFZOIM-UHFFFAOYSA-N	310.289	1.421	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@H]1CCC[C@@H](C)C1	854281154	AYKKYMXGKRIVHX-NEPJUHHUSA-N	301.456	1.687	50	20	DDGD	
COC[C@](C)(CC(=O)OC)NC[C@@H](CBr)C1CC1	859197391	FQHBIHUFXKPEOC-YPMHNXCESA-N	322.243	1.965	50	20	DDGD	
CN[C@@H]1CCCN(C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	857105226	GXGMMCJGCHYNTG-JFGNBEQYSA-N	304.232	1.553	50	20	DDGD	
CC(C)(C)OC(=O)[C@H](C(=O)NNC(=O)c1cc[nH]n1)C(C)(C)C	855356879	ZSBKJHLYZOIHPF-JTQLQIEISA-N	324.381	1.175	50	20	DDGD	
C[C@@](NC(=O)NNc1ncncc1F)(C1CC1)C(F)(F)F	933571905	KKMQJWWFLVUMEI-SNVBAGLBSA-N	307.251	1.973	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cccc2[nH]ncc12	854279595	FAZUOKXSYDUZQZ-UHFFFAOYSA-N	321.406	1.051	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2nc[nH]c2C(F)(F)F)n1	857485841	FDNRBZIFOJPFNV-UHFFFAOYSA-N	321.650	1.211	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1[N+](=O)[O-])c1nccn1C	755540694	PEFCGBRKENUREH-UHFFFAOYSA-N	317.305	1.248	50	20	DDGD	
COC(=O)[C@@H]1CN(/C(=C\C#N)c2cccc([N+](=O)[O-])c2)CCO1	750043619	KMXFGKAITHMLMF-UUSOHVMFSA-N	317.301	1.333	50	20	DDGD	
C[C@@H]1CN(C(=O)OC(C)(C)C)CC1=NNC(=O)Cc1cc[nH]n1	863117542	WGQRILXIUYOPIG-SNVBAGLBSA-N	321.381	1.311	50	20	DDGD	
COC(=O)N(C)NC(=O)c1c(C(F)F)nc2n1CCCC2	868240430	DJPCKHTZQBYIQK-UHFFFAOYSA-N	302.281	1.500	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)[C@H]2CCC(=O)N2)c(Cl)c1	863151772	TWBPYBMFCZWGIE-GFCCVEGCSA-N	309.753	1.467	50	20	DDGD	
C#CCN(CC(=O)NNC(=O)c1cc(C)c(CC)s1)C(C)C	932388605	PQINFZBTERHHLB-UHFFFAOYSA-N	321.446	1.724	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CCC(C)CC1	862460421	GILIQOBEKRHHMS-IFWUJCSASA-N	309.410	1.265	50	20	DDGD	
C[C@@H]1CCC[C@@H]1CC(=O)OCC(=O)NNC(=O)c1cccs1	769175202	FGKVMGXUCXNAGU-GHMZBOCLSA-N	324.402	1.879	50	20	DDGD	
CC(C)OC(=O)[C@@H](C)CNS(=O)(=O)CC(C)(C)CCl	866887237	SSSMHMFXKNVJBE-JTQLQIEISA-N	313.847	1.759	50	20	DDGD	
Cc1ccc2c(C(=O)NNC(=O)[C@H]3CCC(=O)N3)csc2c1	862458722	HWWJVXSJPLLYHJ-LLVKDONJSA-N	317.370	1.249	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cn2cnc3ccccc32)oc1C	767825673	REQRVPLYKZTIOR-UHFFFAOYSA-N	312.329	1.707	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=C2CCC(O)CC2)c1	761783238	VCXJXIOUYALUNB-UHFFFAOYSA-N	310.375	1.111	50	20	DDGD	
COc1cccc2c1CC[C@@H]2NC(=O)NNC(=O)C1CCC1	760212183	RDZXFLFWZMEBNZ-ZDUSSCGKSA-N	303.362	1.813	50	20	DDGD	
CCC[C@H](C(=O)NNC(=O)COCCOC)c1ccccc1	869913444	GICQYGRCFPKRAT-AWEZNQCLSA-N	308.378	1.381	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1ccc(O)c(Cl)c1	768769194	SMSPPKHIHGKQOE-UHFFFAOYSA-N	309.753	1.508	50	20	DDGD	
Cn1c(=NNC(=O)[C@H]2C[C@@]23CCOC3)sc2ccccc21	763370941	YMZPPCDXHHEJHM-MEBBXXQBSA-N	303.387	1.598	50	20	DDGD	
Cc1cc(C)c2c(c1)C(=NNC(=O)[C@H]1CCC(=O)N1)CCO2	863145655	PWINVFJMCDKVJU-CYBMUJFWSA-N	301.346	1.185	50	20	DDGD	
C[C@H](NNC(=O)CCCNC(=O)c1cccnc1)C(F)(F)F	862314715	HQGHKYHDLSGBMP-VIFPVBQESA-N	318.299	1.163	50	20	DDGD	
Cc1ccc(CO[C@@H](C)C(=O)NNC(=O)c2cc(C)[nH]n2)cc1	860480656	VBSJNYYUVCNPTL-LBPRGKRZSA-N	316.361	1.393	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](O)[C@H](C)c2ccccc2F)nc1	867644661	WCWDEYOQKZWTKQ-BMIGLBTASA-N	319.336	1.837	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)N1CC(C)(C)c2c(Cl)cccc21	763441517	VWJQSGVPMRZJIT-UHFFFAOYSA-N	323.780	1.522	50	20	DDGD	
CCOc1cccc(CCC(=O)NNC(=O)c2cn[nH]c2)c1	862466745	JMJNOGNXJUCWCK-UHFFFAOYSA-N	302.334	1.202	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CSc2ccc(C)cc2)on1	763842116	BRSUOPRNLPOAOI-UHFFFAOYSA-N	321.358	1.545	50	20	DDGD	
Cn1cccc1CNC(=O)NNc1ncnc2ccsc12	765802973	MCUZBVFPWNXILR-UHFFFAOYSA-N	302.363	1.856	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2coc(C(N)=O)c2)c1	760015174	UDBYDFUMCSVXCW-UHFFFAOYSA-N	305.681	1.055	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1CC(C)(C)OC1(C)C	1118126835	VWDHCMPUBXXEFT-HBNTYKKESA-N	313.398	1.088	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC2(CCNC2=O)CC1	872522436	NBKHBJFMVLBEFU-UHFFFAOYSA-N	322.858	1.183	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](C)[C@@H]1CCCN(C2CCC2)C1	875477170	IVDYXRURBLJIDM-VXGBXAGGSA-N	312.414	1.552	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)C2(COC)CC2)o1	778645924	HKJQBIINVMFPQR-UHFFFAOYSA-N	323.393	1.309	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc3nsnc3c2)o1	776709400	XGGRSSCWIANHBR-UHFFFAOYSA-N	302.315	1.668	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)c2ccc(F)cc2F)n[nH]1	1116304438	MBHHHDBVRDJVNO-QMMMGPOBSA-N	308.288	1.561	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)c2cccc(N(C)C)c2)c(C)c1	779718537	MCCCGOTWAIODLN-UHFFFAOYSA-N	312.373	1.839	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCSc2ccc(F)cc21	779821071	NEUNGUZPPCKZKY-UHFFFAOYSA-N	311.338	1.498	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCOc2cc(C)cc(C)c21	779820498	BTYDXBKISFHXIL-UHFFFAOYSA-N	305.334	1.262	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@H](CO)c1cccc(F)c1	778592690	NOVKJJBMMVVHDQ-CQSZACIVSA-N	317.320	1.503	50	20	DDGD	
COc1cccc(NCC(=O)NN=C(C)CCn2cccn2)c1	776763417	SDDZSRQDUHZFNO-UHFFFAOYSA-N	315.377	1.886	50	20	DDGD	
Cc1cn(-c2ccccc2)nc1C(=O)NNC(=O)NCC1CC1	771272444	ILHAYMDLGUPWAT-UHFFFAOYSA-N	313.361	1.535	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)CCc1cnccn1	770845555	ZDZYCZCWRXZYFP-UHFFFAOYSA-N	321.812	1.843	50	20	DDGD	
CCN(C(C)=O)c1nc(C=NNC(=O)C2CCOCC2)cs1	1119360893	AWGGKHIBFHHTDW-UHFFFAOYSA-N	324.406	1.393	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1cncc(N2CCCC2)n1	878886542	MFDMLJSGPXJRPD-UHFFFAOYSA-N	319.756	1.277	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CC1CCN(CC(F)F)CC1	874247068	KVUPPVNINHUYMW-UHFFFAOYSA-N	306.357	1.092	50	20	DDGD	
CC(C)[C@@](C)(O)C(=O)NNC(=O)c1ccc2ccccc2n1	770202171	MJHFMRTZZVKXMV-MRXNPFEDSA-N	301.346	1.403	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)CN3CCCC3)cc2C1	873810660	XGKPIHLGAXQTOC-NSHDSACASA-N	321.446	1.730	50	20	DDGD	
O=C(C[C@H]1C=CS(=O)(=O)C1)NNc1cc(Cl)ccc1F	871272269	OVPHEAFAXXWPNY-MRVPVSSYSA-N	318.757	1.871	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=S)Nc2ccccn2)[C@@H]1C	874957508	MRGLPUCUGZKFTI-KLBPJQLPSA-N	308.407	1.459	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccn(Cc2ccccc2)n1	776230648	ZWLDSBLHSWTYOI-UHFFFAOYSA-N	324.344	1.487	50	20	DDGD	
O=C(Cn1cncn1)NNc1ccc(Br)c(F)c1	771675555	WPOKWQIAQLKXCU-UHFFFAOYSA-N	314.118	1.323	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@H]1COC2(CCCCC2)O1	775766564	ZULXLGXVGBACQE-GFCCVEGCSA-N	313.398	1.439	50	20	DDGD	
COc1ccccc1CC(=O)NN=C(C)c1cnn(C)c1C	778539866	GWQSIIWRQIGOGE-UHFFFAOYSA-N	300.362	1.820	50	20	DDGD	
COCCOc1cc(C(=O)NNc2cccc(C#N)c2)ccn1	777421151	JRDFEVGCDNPKIG-UHFFFAOYSA-N	312.329	1.735	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C2CCOCC2)cnn1C(C)(C)C	883062086	QFAMOPBSQXZOOF-UHFFFAOYSA-N	308.382	1.134	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)C1CC1)C(C)(C)c1ccccc1	776023004	DRJXVJLIFIMWKG-OAHLLOKOSA-N	317.433	1.890	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](CO)C2CC2)cc1	771044510	HLZKJOPEYOJVKI-IHWMJMDHSA-N	300.358	1.879	50	20	DDGD	
CO[C@@H]1CCC[C@H](C(=O)NNC(=O)c2ccc(C)c(O)c2)C1	882050649	DVTMZGKVXYRTJN-WCQYABFASA-N	306.362	1.667	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)C1CCOCC1)c1ccncc1	883450125	BUILKFVBINADKU-CYBMUJFWSA-N	306.366	1.290	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCCn1c(C)cc(=O)cc1C	887149323	RIDFFTOHVKHZHW-UHFFFAOYSA-N	317.389	1.196	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cc(O)cc([N+](=O)[O-])c1	780662286	MUHHEOCCQNMQPW-UHFFFAOYSA-N	318.245	1.966	50	20	DDGD	
O=C1NCCN(S(=O)(=O)CCCCl)[C@@H]1c1cccs1	881949949	GWMUFIRYAQEIGD-SNVBAGLBSA-N	322.839	1.180	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)[C@@H](C)N1C(=O)CCC1=O	885123597	BJQFTYVRSZEEDR-SECBINFHSA-N	309.753	1.629	50	20	DDGD	
O=C1CCC(=NNC(=O)NCC(F)(F)F)c2ccccc2N1	783832580	KSJIJWCXTGPISM-UHFFFAOYSA-N	314.267	1.985	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@H]2CCN(C)C2=O)cc1	782451279	OJJQJGDWDAGBRN-WVUXNXBLSA-N	314.341	1.766	50	20	DDGD	
Cn1nccc1COCC(=O)NNC(=O)c1cccc(Cl)c1	785687008	NWNQPANHISQXJB-UHFFFAOYSA-N	322.752	1.051	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cccc(F)c2)cc1	783034623	DWLCYCBJUIHFAB-UHFFFAOYSA-N	303.293	1.916	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cc(F)c(O)c(F)c1	781822641	CLZOTXWNMUZFJT-UHFFFAOYSA-N	300.652	1.871	50	20	DDGD	
COc1cccc(OC)c1C(=O)NNc1ncncc1Cl	781813706	LLPIKZVXZVKQKC-UHFFFAOYSA-N	308.725	1.904	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2ccc(Cl)nn2)c1	798150368	MLFHZAJGEOQBOX-UHFFFAOYSA-N	320.736	1.278	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNc2ncccc2C)c1	792375084	DHAVQBRIYXBKNQ-UHFFFAOYSA-N	300.318	1.480	50	20	DDGD	
COc1cccc(C=NNC(=O)COc2ccccc2C#N)n1	790146055	MNNPOOSUHOHOEY-UHFFFAOYSA-N	310.313	1.491	50	20	DDGD	
COc1ccccc1SCC(=O)NN=Cc1c(C)cnn1C	794922516	KIHZLFRZXJSQLE-UHFFFAOYSA-N	318.402	1.980	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)N2CCN(C)CC2)cc1F	790182154	SPYXCYNERNANHK-UHFFFAOYSA-N	308.357	1.515	50	20	DDGD	
C=C(CBr)CN(CCC(=O)OC)C[C@@H]1CCCO1	791460981	OPPKSTWXAVQCFV-LBPRGKRZSA-N	320.227	1.982	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cccc(Cl)c2O)n1	794083690	KYZKSZORPMIKGP-UHFFFAOYSA-N	305.721	1.824	50	20	DDGD	
O=C(CCCn1cccn1)NNc1cccc(F)c1[N+](=O)[O-]	791069960	VEQRBBKUBHEHJM-UHFFFAOYSA-N	307.285	1.854	50	20	DDGD	
COc1cccc(C2=NO[C@H](C(=O)NNc3cccnn3)C2)c1	792315530	BFSUYIFSPFKQKM-ZDUSSCGKSA-N	313.317	1.122	50	20	DDGD	
Cn1cc2c(n1)CCC[C@H]2C(=O)NNC(=O)c1ccccc1F	798349325	WVQGPWPVNNSAOE-SNVBAGLBSA-N	316.336	1.440	50	20	DDGD	
CCN(C[C@H](C)CBr)[C@H](C)CS(C)(=O)=O	248794482	YKUQRGXLEWBAMH-NXEZZACHSA-N	300.262	1.772	50	20	DDGD	
CCOC(=O)C(F)(F)[C@@H]1CCCC(=NNC(=O)C(=O)OC)C1	1319541471	PLQAOPAERWFBIL-MRVPVSSYSA-N	320.292	1.020	50	20	DDGD	
O=C(NC[C@H]1CCCS1(=O)=O)c1cccc(CCl)c1	212587500	YTJLZKOJUOIIRR-GFCCVEGCSA-N	301.795	1.732	50	20	DDGD	
C=CC[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccncc1	1328133290	BORCRUYJQYXOLU-BNOWGMLFSA-N	318.377	1.454	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1CCCCN1Cc1cccc(C)c1	1326749977	LINBWACDALDACR-QGZVFWFLSA-N	319.449	1.959	50	20	DDGD	
CC[C@H](C)CN(C)c1ccc(F)cc1C=NNC(=O)C(=O)OC	1330775107	UFVKMRFAYFDNOU-NSHDSACASA-N	323.368	1.931	50	20	DDGD	
CC(C)c1ncc(C(=O)NNCC(F)(F)C(F)(F)F)[nH]1	1330142786	MYPUTANDUIHSCV-UHFFFAOYSA-N	300.231	1.965	50	20	DDGD	
C[C@H](C(=O)NNc1ccn(C)n1)[C@H]1OCCc2sccc21	1331512753	IEPJUXNTYAZIQD-TVQRCGJNSA-N	306.391	1.875	50	20	DDGD	
CC(C)c1ncc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)[nH]1	1339431124	FRQIQSFTMKAVKY-UHFFFAOYSA-N	316.317	1.337	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N(C)CCCn2ccnc2)c1	1348123245	UJRSECDUBODHQU-UHFFFAOYSA-N	321.406	1.630	50	20	DDGD	
CC(Cc1cnccn1)=NNC(=O)CCN1CCC(C)CC1	1344439543	WCWREYAZRVIRAK-UHFFFAOYSA-N	303.410	1.633	50	20	DDGD	
C[C@H]1CN2CCN1C[C@@H]2C(=O)NNc1ccc(C#N)c(Cl)c1	1348233542	NHFQGDADYWCYNJ-IINYFYTJSA-N	319.796	1.043	50	20	DDGD	
CC(C)CC(=O)N1CCCC[C@@H]1C(=O)NN[C@@H](C)C(F)(F)F	1347852579	TZAUEZBTZWCELI-WDEREUQCSA-N	323.359	1.985	50	20	DDGD	
Cc1cccc([C@@H]2CCCN2C(=O)NNC(=O)c2cn[nH]c2)n1	1348123178	SASLLUZUZNQRLO-ZDUSSCGKSA-N	314.349	1.305	50	20	DDGD	
Cn1cc(C(=O)NNC(=S)NC(C)(C)C)c(C(F)(F)F)c1	1353875681	JNIPOZIOSWPWSC-UHFFFAOYSA-N	322.356	1.951	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)OC[C@@]2(C)C[C@H]2Br)C1	1515797979	JMHDEOFGQAVVEB-OPQQBVKSSA-N	318.211	1.962	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)OC[C@]2(C)C[C@@H]2Br)C1	1515797978	JMHDEOFGQAVVEB-KWBADKCTSA-N	318.211	1.962	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2CCC(=O)N2C(C)C)cccc1C(=O)O	1600055841	KIMWUECZCXJOCV-ZDUSSCGKSA-N	319.361	1.536	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1	1602128914	FMAIOSTXWDVHRJ-UHFFFAOYSA-N	304.262	1.307	50	20	DDGD	
O=C(CCn1ccccc1=O)NNc1cccc(C(=O)O)c1	1608324308	XOECSMJDEIILKS-UHFFFAOYSA-N	301.302	1.080	50	20	DDGD	
O=C(/C=C\c1ccncn1)NNc1ccc(F)c(C(=O)O)c1	1601242374	BQBKFSXVBOCBIC-RQOWECAXSA-N	302.265	1.470	50	20	DDGD	
CC1(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)CC(F)(F)C1	1603748442	PWAKPGIFZXBCNQ-UHFFFAOYSA-N	309.280	1.140	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@@H](C(=O)O)C2CCCC2)cc1	1605597428	PHEAFBBEFINBOO-ZDUSSCGKSA-N	315.329	1.210	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1C(=O)O	1607810237	VPSMIRGZHXWJPE-BIMULSAOSA-N	302.330	1.752	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1cccc(C(=O)O)n1	1601556002	VLVSGAIXJGOIAG-UHFFFAOYSA-N	300.274	1.246	50	20	DDGD	
CCC[C@H](C(=O)NNc1ccc(-c2nn[nH]n2)cn1)C(C)C	1604128134	UXHNLQILVNIQOB-NSHDSACASA-N	303.370	1.777	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2cccnc2C(=O)O)n1	1605163789	GJJSIMWWOYVUCK-UHFFFAOYSA-N	302.294	1.335	50	20	DDGD	
CCC(CC)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1604021580	BHEWXTUWOQZYMO-UHFFFAOYSA-N	307.358	1.857	50	20	DDGD	
Cc1coc(CC(=O)O)c1C(=O)NNc1nccnc1C(C)C	1610543014	MKMUSULLAAAGLK-UHFFFAOYSA-N	318.333	1.885	50	20	DDGD	
Cc1nc[nH]c1C=NNC(=O)[C@H]1CCCO[C@@H]1c1ccnn1C	1549314029	AUWGARYCBMUCAX-FZMZJTMJSA-N	316.365	1.070	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCO[C@@H]1c1ccnn1C)c1cn[nH]c1	1549319783	LLSKBGVZWNEBGC-JSGCOSHPSA-N	316.365	1.151	50	20	DDGD	
CC(CCCO)=NNC(=O)[C@H]1CCCO[C@@H]1c1nccn1C	1549311006	PKJYFRCJNBQYQE-STQMWFEESA-N	308.382	1.152	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@@H]2C=NNC(=O)c2cc[nH]n2)cn1	1552454058	VGAHDDYYAPNIEI-ZWNOBZJWSA-N	302.338	1.027	50	20	DDGD	
CO[C@H]1CN[C@](C)(C(=O)N(C)NC(=O)OCc2ccccc2)C1	1573957387	QBPOCBQVJGQJGY-CJNGLKHVSA-N	321.377	1.053	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@]23C[C@H](N)C[C@H]2C3)c1C	1579767869	LGAZBSOWYRGFAZ-HWWQOWPSSA-N	318.446	1.748	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)N[C@H]1CCC[C@@H]2C[C@H]12	1593166012	QKUMCNVMPXWPQH-ICCXJUOJSA-N	313.365	1.681	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)c1csc(-c2nn[nH]n2)c1	1593161478	XMZSGJVIZMAYFF-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NNc1cccc(-c2nn[nH]n2)c1	1590163267	HRYLPAPHDHRSBG-NXEZZACHSA-N	314.349	1.315	50	20	DDGD	
Cc1cccc(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)c1	1592226502	IIOLPVDVNSWGIO-UHFFFAOYSA-N	306.329	1.939	50	20	DDGD	
CCSCC=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	1590851540	ABBPACFBMRENRR-UHFFFAOYSA-N	320.378	1.101	50	20	DDGD	
C[N+](C)(C)CC(=O)NN=Cc1ccc2oc(C(=O)O)cc2c1	1776011728	JDBKVGDOFZCGFK-UHFFFAOYSA-O	304.326	1.287	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C\c1ccc(-n2cnc(C(=O)O)c2)cc1	1776120538	LAGDAOKUCBMQLA-JYRVWZFOSA-N	322.324	1.780	50	20	DDGD	
COC[C@@]1(C=NNC(=O)c2cccc(C(=O)O)c2)CCCCO1	1776096393	YTVBXXLXYJYTCB-INIZCTEOSA-N	320.345	1.686	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1sc(Cl)cc1C(=O)O	1776027172	FBTHYLUFQZKLTK-UHFFFAOYSA-N	317.754	1.074	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=C2CCOCCC2(F)F)cc1	1776101540	MPWKFKDQOBENJO-UHFFFAOYSA-N	312.272	1.916	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccccc2O)cc1C	17573561	PTULGDILYBNXAQ-UHFFFAOYSA-N	314.341	1.849	50	20	DDGD	
O=C(NNC(=O)N1CCOC2(CCCC2)C1)c1ccccc1	158394789	VKALMTKYZLAWRD-UHFFFAOYSA-N	303.362	1.686	50	20	DDGD	
CN(C)c1cccc(CNC(=O)NNc2cncc(Cl)n2)n1	164462068	MMULANYYEORUJP-UHFFFAOYSA-N	321.772	1.417	50	20	DDGD	
CO[C@@H](C)C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1	151248077	XRUDYYWGKRODMW-QMMMGPOBSA-N	306.297	1.012	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2csc(C(C)(C)C)n2)[nH]n1	153240311	IJUFEDSDMSKWSB-UHFFFAOYSA-N	321.406	1.476	50	20	DDGD	
COc1ccc(NNC(=O)Cn2c(=O)oc3ccccc32)nc1	159577598	BUCCIWOVEKTVGN-UHFFFAOYSA-N	314.301	1.141	50	20	DDGD	
CNC(=O)NN=C1CCN(C(=O)OCc2ccccc2)CC1	814814520	NRLFSOMNGBVUIL-UHFFFAOYSA-N	304.350	1.704	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)C1(O)CCSCC1	862290162	PEFKGMZSAFOCLP-UHFFFAOYSA-N	324.402	1.544	50	20	DDGD	
C/C=C/C=C/C(=O)NNC(=O)Cn1c(CC)nc2ccccc21	6982240	KPGFLAJBXQYSBM-JFDBYLHYSA-N	312.373	1.878	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)c2ccccc2F)cc1	8350276	KHDLQFUXMVVKAB-UHFFFAOYSA-N	313.288	1.537	50	20	DDGD	
CCOC(=O)NNC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2	21771750	SHTNUPQJPGMSGN-UHFFFAOYSA-N	307.350	1.869	50	20	DDGD	
CSCCNC(=O)NNC(=O)c1cccc2ncccc12	106555190	LPLNFDQRDHOCEP-UHFFFAOYSA-N	304.375	1.542	50	20	DDGD	
C[C@@H]1CCCN(C(C)(C)CNC(=O)NNc2ncccn2)C1	54805667	YERXGFYDBNQAEL-GFCCVEGCSA-N	306.414	1.613	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Cc2ccsc2)c1O	54163590	YPPKFHJDCHTPTM-UHFFFAOYSA-N	306.343	1.466	50	20	DDGD	
COc1cc(C(=O)NNc2cc(C)ncn2)cc(OC)c1C	172282616	ABWWLHYSNDQGRZ-UHFFFAOYSA-N	302.334	1.868	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)Cc1ccc(F)cc1	110759838	DNQNRPPUGAKPTR-SECBINFHSA-N	304.325	1.497	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1ccc(F)c(Cl)c1	118979358	OQTRSYAQMAWJBB-JTQLQIEISA-N	301.705	1.811	50	20	DDGD	
O=C(NNc1ncccn1)NC1CCN(CC(F)(F)F)CC1	65509414	RQGNYNDQUMGDFY-UHFFFAOYSA-N	318.303	1.129	50	20	DDGD	
CCN1C[C@@H](C(=O)NNc2cc(F)c(F)c(F)c2)CC1=O	175514573	FQOXAZKNBBNOMJ-ZETCQYMHSA-N	301.268	1.415	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCCOc2ccccc2F)cn1	117682484	WRMUOGOBZQFTTJ-UHFFFAOYSA-N	320.324	1.179	50	20	DDGD	
CC1(C)C[C@H](O)CCN(S(=O)(=O)CBr)C1	306519360	IMAPUMKKKOHDIK-MRVPVSSYSA-N	300.218	1.152	50	20	DDGD	
N#Cc1ccc(CNC(=O)NNC(=O)c2ccc(C#N)cc2)cc1	60994399	USNXFZTXFDNFHF-UHFFFAOYSA-N	319.324	1.574	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)c1cc[nH]c(=O)c1	119333471	LIDLYNTWZQZYIW-UHFFFAOYSA-N	321.336	1.532	50	20	DDGD	
O=C(NNc1ccncc1Cl)c1ccc(-n2cnnn2)cc1	176913557	YPKWTRUNJDSXGS-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNc1ccc(C(F)(F)F)nn1	123760579	ACELNGFYYYBDEM-LURJTMIESA-N	306.244	1.138	50	20	DDGD	
O=C(Cc1ccc(OC(F)F)cc1)NNC(=O)[C@@H]1CCCO1	32258695	OOWPBKNVZQSHIP-NSHDSACASA-N	314.288	1.157	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cccc(C)c2F)c1O	124935395	HHKFGYWMAXXHDS-UHFFFAOYSA-N	318.304	1.923	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NNc1nnc(-c2ccccn2)s1	188215177	PXRRFMNGBJVDMD-PSASIEDQSA-N	305.363	1.468	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)C2(C#N)CCCC2)cc1	70736790	JLUKYDHWSVZGRK-UHFFFAOYSA-N	312.329	1.168	50	20	DDGD	
CN(NC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1)C(N)=O	181058196	CARIQHBIMCXVAO-ZDUSSCGKSA-N	308.357	1.222	50	20	DDGD	
CN(C)CC(=O)NNC(=O)CCCc1ccc2ccccc2c1	182534135	XGBLGYXIKUVMPO-UHFFFAOYSA-N	313.401	1.872	50	20	DDGD	
COc1ccccc1/C(C)=C/C(=O)NNC(=O)Cc1cc[nH]n1	186104829	WACXRGFDNFZNIW-PKNBQFBNSA-N	314.345	1.212	50	20	DDGD	
CC(=O)N1CCC[C@@H](C(=O)NNc2cc(C#N)cc(Cl)n2)C1	126067075	ZDLKZRZQDHRIPB-LLVKDONJSA-N	321.768	1.308	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCC3(CCC3)C2)cc1	123140193	QIQJFPFSGJTSAY-UHFFFAOYSA-N	301.390	1.632	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CCc2nnc[nH]2)c1C	124580082	URMNEFGWUMKNMP-UHFFFAOYSA-N	318.406	1.372	50	20	DDGD	
CCCCCCCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	127812804	DGRVTXNNAKPMGD-CYBMUJFWSA-N	304.456	1.839	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1cnn(-c2ccccc2F)c1	122177882	UPXVSUKNUSPTSI-UHFFFAOYSA-N	313.292	1.414	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)CC[C@H]1CCCO1	129200645	PLRSRMFUBLPOQS-CQSZACIVSA-N	306.362	1.562	50	20	DDGD	
COc1ccnc(NNC(=O)NCCc2ccc(F)cc2)n1	31663681	MXMGDVYXIHKGPK-UHFFFAOYSA-N	305.313	1.493	50	20	DDGD	
C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NNc1cccc(Cl)c1	180904323	SNFHHQJCDHKQFC-PELKAZGASA-N	311.769	1.059	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(Br)s1	43466727	NVCXHLMCMLKXNU-UHFFFAOYSA-N	306.185	1.865	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1OCCc2ccccc21	131701381	ZMUXWJZGJVBJBB-GFCCVEGCSA-N	300.318	1.242	50	20	DDGD	
C=C(C)COCCNC(=O)NNC(=O)CCc1ccccc1	135040954	FKKRKGGCYUFALV-UHFFFAOYSA-N	305.378	1.542	50	20	DDGD	
O=C(C[C@H]1CCCO1)NNC(=O)c1cc(-c2ccccc2)n[nH]1	47063733	UBGVGDSFSUWEHE-GFCCVEGCSA-N	314.345	1.407	50	20	DDGD	
C=C[C@](C)(CC)C(=O)NNC(=O)CNc1ccc(OC)cc1	134921255	KGHBMULKQQFKRG-MRXNPFEDSA-N	305.378	1.857	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCCOc1ccccc1Cl	190065045	UUIDNUWJMCTMPM-UHFFFAOYSA-N	314.769	1.417	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)Nc1ccc([N+](=O)[O-])cc1	191416983	ARRPSVPQGXOFQD-UHFFFAOYSA-N	313.277	1.786	50	20	DDGD	
COc1ccnc(NNC(=O)c2cnn(C3CCCC3)c2C)n1	135633800	VWXYVXJSWNOYFD-UHFFFAOYSA-N	316.365	1.862	50	20	DDGD	
CCCCn1ncc(NC(=O)NNc2nccnc2OC)c1C	133342989	OJRGEYGTPZUPDI-UHFFFAOYSA-N	319.369	1.939	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1ccc(F)nc1	81236683	YYHSXMZMTZOIKN-UHFFFAOYSA-N	323.711	1.958	50	20	DDGD	
O=C(NNC(=O)c1cc(Br)cs1)c1ccc[nH]1	194998246	GSFBAGWDFFVKQP-UHFFFAOYSA-N	314.164	1.914	50	20	DDGD	
O=S(=O)(CCCCl)N1CCC[C@@](O)(C(F)(F)F)CC1	382391065	RZFLTTHUVANLTC-VIFPVBQESA-N	323.764	1.724	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)c2ccccc2)c([N+](=O)[O-])c1	194472407	HGFSPYOWRRORSN-UHFFFAOYSA-N	315.285	1.929	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cccc(C)c1O	97665647	ZEJKROYVHCLNKY-UHFFFAOYSA-N	314.341	1.713	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c(C)o1	237870480	BHKPWCYXAMEERS-UKJIMTQDSA-N	318.329	1.180	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H]2CCOC2=O)c1C	264636193	PFWXFSKJQXBANV-HNRFISLBSA-N	315.373	1.854	50	20	DDGD	
CC(C)CC[C@H](C)NC(=O)NNC(=O)COc1ccccc1O	264453179	HCDPWDRCUSIXJL-LBPRGKRZSA-N	323.393	1.926	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1	269474506	MMWMVKLKMHKLBQ-HCRIHEDKSA-N	309.366	1.556	50	20	DDGD	
O=C1NCc2ccc(OS(=O)(=O)CCCCCl)cc21	276667545	KDNROBFESQVXID-UHFFFAOYSA-N	303.767	1.658	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc2occ(C)c2c1	276100951	FXKOPQCHRPYTAV-UHFFFAOYSA-N	318.333	1.372	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)c3ccncn3)cc2C1	275093810	CXIYLZAWAZIFPM-SECBINFHSA-N	316.386	1.738	50	20	DDGD	
CCC(O)(CC)CCNC(=O)NNC(=O)c1ccccc1F	276247962	GWPCILZSKGYTMI-UHFFFAOYSA-N	311.357	1.711	50	20	DDGD	
Cc1c([C@H]2OCC[C@@H]2C(=O)NNc2ccncc2)cnn1C	275678094	OWORZXCEAMKIAW-JSGCOSHPSA-N	301.350	1.344	50	20	DDGD	
O=[N+]([O-])c1cccc2c1CCN2S(=O)(=O)CBr	272791578	JHSGQMPDNOEWHI-UHFFFAOYSA-N	321.152	1.640	50	20	DDGD	
C[C@H]1OCC[C@@]12CN(S(=O)(=O)CCCCCl)CCO2	373677887	BKXZZUCTHQDPKO-VXGBXAGGSA-N	311.831	1.215	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCS[C@H](C)CC2)n1	279621832	GWQXCWZJJCXYOS-LLVKDONJSA-N	308.407	1.572	50	20	DDGD	
COCCN(C)NC(=O)CSc1nc2ccccc2s1	288398915	KJBIPDPWPHYMLR-UHFFFAOYSA-N	311.432	1.998	50	20	DDGD	
CN(C)C(=O)NNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-]	280140786	MIAINFWLVYRNBC-UHFFFAOYSA-N	318.692	1.232	50	20	DDGD	
COCCN(C)NC(=O)c1c[nH]nc1-c1ccc(OC)cc1	288589890	SHVMWNSETPQXGI-UHFFFAOYSA-N	304.350	1.308	50	20	DDGD	
COC(=O)c1cccc(NC(=O)NNC(C)=O)c1OC(C)C	281270813	CDZDLTQNWTUZGX-UHFFFAOYSA-N	309.322	1.433	50	20	DDGD	
CSC1(CNC(=O)NNc2nc3ccccn3n2)CCC1	280064498	PXFAUJFDLRIBEC-UHFFFAOYSA-N	306.395	1.641	50	20	DDGD	
COCCN(C)NC(=O)CCC(=O)c1ccc(OC)c(F)c1	288517393	VRTPCDBPPNPWNI-UHFFFAOYSA-N	312.341	1.407	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NNc1nc(-c2ccncc2)no1	280122635	BTEULBYITUBOOS-MWLCHTKSSA-N	315.333	1.580	50	20	DDGD	
CN(C)C(=O)C1(CNC(=O)NNc2cccc(F)n2)CCCC1	286534084	BSZAQIZQNIOYQL-UHFFFAOYSA-N	323.372	1.495	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)COc2cc(C)ccc2C)C1	286644278	KLVZADRJXYMEIU-UHFFFAOYSA-N	320.389	1.645	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)COCC(F)(F)F	288625201	JSWOPOGDAGBVBG-UHFFFAOYSA-N	307.228	1.925	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cncc(C(F)(F)F)c1	295671093	XBLOLWONRNMVJU-SNVBAGLBSA-N	317.267	1.431	50	20	DDGD	
CCCOc1cccc(CC(=O)NNC(=O)[C@H]2CCCCO2)c1	295330219	HECKCTVNHPXWQT-OAHLLOKOSA-N	320.389	1.734	50	20	DDGD	
CCC(CC)(CNC(=O)NNc1cncc(Cl)n1)OC	293224385	APBGPQYQHALILT-UHFFFAOYSA-N	301.778	1.961	50	20	DDGD	
O=C(NNc1ncccc1F)c1cnc(C2OCCO2)s1	804214389	WWHWDJNUJMFRNU-UHFFFAOYSA-N	310.310	1.480	50	20	DDGD	
CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)NNc1ncncc1F	292999671	KYJNRUUSBMMPJN-MNOVXSKESA-N	311.361	1.836	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Nc2ccnnc2OC)c1	808902511	NBKNVWQGSKTEIS-UHFFFAOYSA-N	317.305	1.420	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H]2CCCc3cccnc32)O1	294189503	KDZLRSGHSGWMGO-UHTWSYAYSA-N	303.362	1.216	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C[C@H]1CCCC[C@@H]1O	292674140	MEQGEUWLWOPXCE-OCCSQVGLSA-N	320.389	1.326	50	20	DDGD	
CCOC1(C(=O)NNc2ccc(C(=O)OC)cn2)CCCC1	802894289	OIJVWPLSLUDJFR-UHFFFAOYSA-N	307.350	1.661	50	20	DDGD	
O=C(NCc1cc2ccccc2s1)NNC(=O)[C@@H]1CCCO1	291914069	LDTPUTOESHRRER-LBPRGKRZSA-N	319.386	1.911	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)OC[C@H]2CCCO2)s1	299376346	NVZBNWPCRPUWJR-GHMZBOCLSA-N	312.391	1.402	50	20	DDGD	
CC(C)(C)C(=O)CCCC(=O)NNc1nc2ccccn2n1	295845948	ZXASYLZIRDRABF-UHFFFAOYSA-N	303.366	1.958	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C[C@H]2CCCOC2)cc1	802054795	QVBFKTRRIRQOOM-LLVKDONJSA-N	307.350	1.665	50	20	DDGD	
CC(C)CCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)C1CC1	802711606	SKJWTIXTIQKFBZ-SNVBAGLBSA-N	303.428	1.243	50	20	DDGD	
O=C(CCc1ncc[nH]1)NNC(=O)c1cc2c(s1)CCC2	806343135	ZUDZOJBKTXHTMF-UHFFFAOYSA-N	304.375	1.354	50	20	DDGD	
CN(NC(=O)C1(Cc2cccc(F)c2)CCOCC1)C(N)=O	294505077	JNBAOSBPETYQHX-UHFFFAOYSA-N	309.341	1.207	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@H]2CCCCO2)ccc1Cl	295636359	SXJLAIJGQIPVRG-LLVKDONJSA-N	312.753	1.679	50	20	DDGD	
O=C(NNC(=O)C1(c2ccccc2)CCCC1)[C@@H]1CCCO1	294042120	ORPHVFNXYQMBID-AWEZNQCLSA-N	302.374	1.825	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1c[nH]c(C(F)(F)F)c1	807975783	ZOEIXJCHFNHPCN-MRVPVSSYSA-N	307.272	1.535	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2cncn2C1)c1ccccc1F	816814107	IIDYSWQTXLYBRP-JTQLQIEISA-N	302.309	1.046	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)Nc1ccc2c(c1)OCO2	813459186	OEMGCMHYKJMDTI-UHFFFAOYSA-N	310.379	1.714	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccncc1)c1ccc2c(c1)OCO2	814184947	NAWQNLGUROUWRT-SNVBAGLBSA-N	313.313	1.375	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)NOC/C=C/Cl	811983890	GBLGZQAEWNPQEX-LZCJLJQNSA-N	318.160	1.897	50	20	DDGD	
Cn1nnc2c1C[C@H](C(=O)NNc1cccnc1Cl)CC2	810493828	JJWLYMMVCNSUMT-MRVPVSSYSA-N	306.757	1.112	50	20	DDGD	
COc1ccc(C(=O)NN(C)C2CC2)nc1Br	819650095	SXCBLUAYQRLPRV-UHFFFAOYSA-N	300.156	1.592	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@@H](O)c1ccc(Cl)cc1	813377416	BWTVOKKKAQKYPD-LBPRGKRZSA-N	307.737	1.173	50	20	DDGD	
CCOc1ccc(NNC(=O)c2c[nH]c(C(=O)OC)c2)cc1	817925386	FFMSTZXZNFCAQI-UHFFFAOYSA-N	303.318	1.957	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1cncc(Br)c1	814954949	QVHVQRQMPBPGNB-UHFFFAOYSA-N	308.139	1.260	50	20	DDGD	
O=C(NN=C1COc2ccccc21)[C@H]1COc2ccccc2O1	814701075	NNYHOEODJGYLBT-MRXNPFEDSA-N	310.309	1.739	50	20	DDGD	
COC(=O)CCCN1CCC(=NNC(=O)NCC2CC2)CC1	727061068	BKSXIJDTSNYADC-UHFFFAOYSA-N	310.398	1.101	50	20	DDGD	
C[C@@H](CC(=O)NNc1ncncc1F)NC(=O)OC(C)(C)C	817077462	LPZHOFNXERSVDS-QMMMGPOBSA-N	313.333	1.362	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(NC(=O)NC(C)C)cc1	823852776	PFTBJZURHMDOKO-UHFFFAOYSA-N	308.382	1.176	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)C	822799890	LJONQCXWUCZWMC-NSHDSACASA-N	314.430	1.304	50	20	DDGD	
CN1CCC[C@@H]2CN(C(=O)/C(C#N)=C/c3cnn(C)c3)CC[C@H]21	491082750	JWTOVHFXDLMECY-DGCUZWNNSA-N	313.405	1.270	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H]2CCN(C3CC3)C2)cc(C#N)n1C	490636987	DSWGYTMGLYSWOF-LULHVWEPSA-N	323.400	1.465	50	20	DDGD	
Cc1ccccc1S(=O)(=O)NNC(=O)c1ccc(C#N)cc1	727359054	IOHLXVGRIABCAL-UHFFFAOYSA-N	315.354	1.490	50	20	DDGD	
C#CCN1CCC(C(=O)NNc2ccc(F)cc2OC)CC1	491395934	VQUMIJRSBVQCCA-UHFFFAOYSA-N	305.353	1.623	50	20	DDGD	
Cc1ccc([C@@H]2C[C@H]2NC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	827419163	SWZDFYTYAUABJM-ZNMIVQPWSA-N	317.389	1.750	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@H]2CCOC(C)(C)C2)cn1	491015043	ZFHSYNCNMIATMU-JVXNRYDGSA-N	302.378	1.648	50	20	DDGD	
CO[C@@](C)(C=NNC(=O)CCNC(=O)OC(C)(C)C)C1CC1	495884694	JAVDZPIKVCRMHY-HNNXBMFYSA-N	313.398	1.818	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1scnc1C1CC1	496929542	SOJYAFNRUJIYQT-UHFFFAOYSA-N	324.406	1.995	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	491821755	YJRFUIDVUWGLCI-GFCCVEGCSA-N	317.393	1.890	50	20	DDGD	
CCCN(NC(=O)CS(=O)(=O)CCC)C(=O)OC(C)(C)C	495758999	JAEOWQKXMZZCBD-UHFFFAOYSA-N	322.427	1.490	50	20	DDGD	
Cc1cc(NNC(=O)C[C@@]2(C)CC2(Cl)Cl)nc(N)n1	828371046	DHHYRBNZJNHCBY-JTQLQIEISA-N	304.181	1.784	50	20	DDGD	
Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cccc(B(O)O)c3)C2)cc1	584982732	JYBPRKVUFIBVBT-RHSMWYFYSA-N	323.201	1.693	50	20	DDGD	
C/C(=C\c1cccc(Cl)c1)C(=O)NNC(=O)Cc1cc[nH]n1	588445535	IJMVREMDDUHCNT-JXMROGBWSA-N	318.764	1.857	50	20	DDGD	
CN1C(=O)CCC[C@H]1C(=O)NNc1ncnc2ccsc12	907045759	TXRPRKGFGMGYOQ-VIFPVBQESA-N	305.363	1.145	50	20	DDGD	
Cc1ccc([C@@H](CNCc2cccc(B(O)O)c2)N(C)C)cc1	585019258	HPGBUICZDIASHR-GOSISDBHSA-N	312.222	1.067	50	20	DDGD	
O=C(C[C@H]1CCC(=O)N1)NNc1ccc(OC(F)(F)F)cc1	830791446	IVONAMCCPVHDTB-SECBINFHSA-N	317.267	1.697	50	20	DDGD	
COCc1ccc(S(=O)(=O)NNC(=O)OC(C)(C)C)cc1	495401910	CYEYTPKEJXBLEH-UHFFFAOYSA-N	316.379	1.551	50	20	DDGD	
CC(C)[C@H]1CC(=NNC(=O)CNC(=O)OC(C)(C)C)CCO1	494436634	YVUYGGMEPOHMLO-GFCCVEGCSA-N	313.398	1.818	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1nccc2[nH]ccc12	831575613	QMVGEBKSVBJFHW-UHFFFAOYSA-N	309.420	1.035	50	20	DDGD	
CCOC(=O)[C@@H](CC(=O)NNc1c(F)cccc1F)C(C)=O	830782799	XZEPQQNBFVYCND-VIFPVBQESA-N	314.288	1.566	50	20	DDGD	
COc1ccc(Cl)cc1/C=C/C(=O)N1CC[C@H](B(O)O)C1	585068815	IDVWPQGUKBJEJX-DGXRNCNBSA-N	309.558	1.437	50	20	DDGD	
CN(NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)C(=O)OC(C)(C)C	496660647	OLOFHQUUGVYLKQ-JTQLQIEISA-N	313.398	1.532	50	20	DDGD	
CO[C@H]1CC(=NNC(=O)Cc2cc(O)nc(S)n2)C12CCC2	834937295	LUYFBPBYPAVHAR-JTQLQIEISA-N	322.390	1.075	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)CCc2scnc2C)n1	839471125	TZCCRNDVQSOZAA-UHFFFAOYSA-N	321.406	1.045	50	20	DDGD	
COCCN(C)CCCNC(=O)[C@@]1(C)C[C@H]1Br	906123978	PTWLGSCZWMZJEC-PWSUYJOCSA-N	307.232	1.244	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(OC)c1	831063270	WDKLQAFHCBWVIM-ONGXEEELSA-N	323.349	1.282	50	20	DDGD	
C[C@H](COc1cccc(F)c1)NCc1cccc(B(O)O)c1	585018217	ILACGCMRKVDCEY-GFCCVEGCSA-N	303.142	1.063	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccc(C#Cc2ccccc2)cc1	733360776	SDTLQLHUCPUPHO-UHFFFAOYSA-N	321.380	1.409	50	20	DDGD	
CC(=NNC(=O)[C@H](C)Oc1cccc(C)c1C)c1cn(C)nn1	834929286	ASDYFDWPGQCVJA-ZDUSSCGKSA-N	315.377	1.740	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)Cc2occc2C)nc1C	831780439	XEAMZRPEFMEYOK-UHFFFAOYSA-N	318.333	1.549	50	20	DDGD	
C[C@H](Cc1c(F)cccc1F)NCc1cccc(B(O)O)c1	585017366	VPRNIYFEVPIYQW-LLVKDONJSA-N	305.133	1.365	50	20	DDGD	
CN(NC(=O)COCCNC(=O)OC(C)(C)C)c1ccccc1	732575088	PTZBHZLTIKNBOM-UHFFFAOYSA-N	323.393	1.695	50	20	DDGD	
CC[C@H](C)c1ccccc1OCC(=O)N1CC[C@H](B(O)O)C1	585068576	DRZVDUBHEZXTHR-STQMWFEESA-N	305.183	1.654	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H]2C[C@@H](O)C2)c1C	839789888	JWUJVIXIMQGDQU-XLFYGHFESA-N	317.389	1.298	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)N1CC[C@@H](B(O)O)C1	585073964	GXCWJCCNLRQABR-GHMZBOCLSA-N	303.258	1.776	50	20	DDGD	
O=C(NCCOCC1CCCC1)NNc1ccc(Cl)nn1	836672670	QQIOJZJYMRPSSD-UHFFFAOYSA-N	313.789	1.963	50	20	DDGD	
O=C(c1cc(Oc2ccccc2)ccn1)N1CC[C@@H](B(O)O)C1	585065723	JWKJKYCZXALALZ-GFCCVEGCSA-N	312.134	1.563	50	20	DDGD	
Cc1c(C(=O)NCB(O)O)sc2nc(C(F)(F)F)ccc12	585061593	AOYKSBVAVRZCRZ-UHFFFAOYSA-N	318.085	1.365	50	20	DDGD	
COc1ccc(C2(C(=O)NN(C)C[C@@H](C)O)CCC2)cc1OC	910152689	STUPUGXHKJZWSH-GFCCVEGCSA-N	322.405	1.469	50	20	DDGD	
O=C(O)NCCC(=O)NNC(=O)c1ccc2ccccc2c1	739937963	JXHBLAVUNBTKIQ-UHFFFAOYSA-N	301.302	1.259	50	20	DDGD	
C=C(C)CCNC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	838660860	PRXBXNNCGOWXEY-LLVKDONJSA-N	309.341	1.890	50	20	DDGD	
Cc1ccccc1[C@H](CC(=O)NNc1ncccn1)NC(N)=O	914607817	NRUIXEOEVJZNPR-LBPRGKRZSA-N	314.349	1.028	50	20	DDGD	
COCCOCCCNC(=O)NNc1ccc(F)c(F)c1	916662203	OPZWUEREYSSTMX-UHFFFAOYSA-N	303.309	1.644	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)[C@H]1COc2ccccc21	733262854	ZXACJKKOXMGFHM-LBPRGKRZSA-N	323.312	1.751	50	20	DDGD	
COCC(COC)N1CCN(/C(=C/C#N)c2ccccc2)CC1	839620949	FAJOCMZLOIMNHD-QGMBQPNBSA-N	315.417	1.830	50	20	DDGD	
CCOC1(CNC(=O)NNC(=O)N=c2cc[nH]cc2)CCCC1	836481683	OLEPUWYSWJMTFU-UHFFFAOYSA-N	321.381	1.189	50	20	DDGD	
N#Cc1ccc(C(=O)NN=Cc2ccccc2OCC(=O)O)cc1	747053937	YEVADVIRCBXZTD-UHFFFAOYSA-N	323.308	1.786	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)/C=C/c1ccc(Cl)nc1	843658663	FJWDJSXJERBRIY-JAQYDWNVSA-N	309.753	1.321	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1ccc2[nH]ccc2n1	913163340	KKHVRRCCEKHYMW-UHFFFAOYSA-N	308.210	1.995	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1ncccc1C(F)(F)F	842562994	UGFSGJVWBJZWRJ-IUCAKERBSA-N	301.268	1.976	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCOCc1ccccc1	843647272	SOABDGFQYNJJFS-TZMCWYRMSA-N	306.362	1.166	50	20	DDGD	
N[C@@H]1CCC[C@H](NC(=O)NNC(=O)c2ccc(Cl)cc2)C1	841981792	IXVUXUXDHBXUES-NEPJUHHUSA-N	310.785	1.554	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@H](C(=O)O)C(C)C)cc1	848587639	ITEAAKXTWVRDSK-ZDUSSCGKSA-N	321.377	1.550	50	20	DDGD	
C[C@@H](CCCN)NC(=O)NNC(=O)c1cc2ccccc2o1	842000685	ZKHDWFKBDSNHJS-JTQLQIEISA-N	304.350	1.504	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2nccn3ccnc23)o1	743324393	YUJHNJHFXYLMHQ-UHFFFAOYSA-N	311.305	1.469	50	20	DDGD	
CC1(NC(=S)NNC(=O)COCc2ccccc2)CCC1	840726444	AXLXFNNYKBMZGY-UHFFFAOYSA-N	307.419	1.641	50	20	DDGD	
C[C@@]1(C(=O)NCc2nc(C(F)F)no2)C[C@@H]1Br	911271475	UUOQDSKQMIFWDD-AJAUBTJJSA-N	310.098	1.797	50	20	DDGD	
O=C(Cn1cc2ccccc2n1)NNC(=O)NC1CCCC1	748533456	PFZKEDBPWRXNHL-UHFFFAOYSA-N	301.350	1.309	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc(OC)c1C	843644895	GXDMUJQLQVDLCD-PWSUYJOCSA-N	322.361	1.198	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](CN)C1CCCC1	841988063	SIHFIGHBSOEXQV-AWEZNQCLSA-N	304.394	1.457	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)C(C)C)c2ncccc2c1	917725282	KWHYVIQSXOOXOK-UHFFFAOYSA-N	307.375	1.509	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)c2ccc(OC)cc2OC)[C@H]1OC	841623710	MSHHURGJPHDXRB-HUUCEWRRSA-N	322.361	1.613	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)c2ncccn2)c1CC	841351945	DHXVDMBJJSABBE-UHFFFAOYSA-N	316.365	1.110	50	20	DDGD	
Cc1cc(C)c(C(=O)O)cc1C=NNC(=O)[C@H]1CCO[C@@H]1C	842550164	WGNVREBEWTWYQP-YPMHNXCESA-N	304.346	1.877	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)/C=C\c1ccccc1OC(F)(F)F	910169896	HFCDQZBFASZMOA-GQYWMQPJSA-N	318.295	1.942	50	20	DDGD	
NC[C@H]1CC[C@H](NC(=O)NNC(=O)c2cc3c(s2)CCC3)C1	842010583	MZJFBLIFYXXGQO-ONGXEEELSA-N	322.434	1.308	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CC2CC2)c(C#N)cc1N(C)C	841712394	OWFVQIRJTHZEMP-UHFFFAOYSA-N	315.377	1.886	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cccc(NC(=O)c2ccco2)c1	910171598	YOXYZYKGSZTXRS-NSHDSACASA-N	317.345	1.489	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cc1cccc2cccnc12	843971102	AKYMGXAOQWEYCJ-SMDDNHRTSA-N	313.357	1.350	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(C#N)cc2)[C@@H](C)[C@H]1C	842167630	WOUXVWGVGFBZDT-AGIUHOORSA-N	314.389	1.296	50	20	DDGD	
O=C(Cn1nnc2c1CCCC2)NNc1ccc([N+](=O)[O-])cc1	847599792	RATHPRXGPYCISW-UHFFFAOYSA-N	316.321	1.208	50	20	DDGD	
Cc1cc(C)c(C=NNC(=O)Cc2cc(O)nc(O)n2)c(C)c1	743445759	FRUHQIKEPRIXQL-UHFFFAOYSA-N	314.345	1.506	50	20	DDGD	
CCCCNC(=O)NNC(=O)C[C@@H](c1ccccc1)N(C)C	841382998	HBBTWXZDSXOBGX-AWEZNQCLSA-N	306.410	1.810	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1=Cc2ccccc2OC1	843644972	PXAWFECQJIUTQO-GWCFXTLKSA-N	302.330	1.035	50	20	DDGD	
Cc1cc(CCC(=O)NNC(=O)Cc2ccc(F)cc2)no1	929331228	QQBFPHZSZHSCLC-UHFFFAOYSA-N	305.309	1.445	50	20	DDGD	
C=CCN(CC(=O)NNC(=O)C(C)(C)C)Cc1ccccc1	744387334	POHKGIWNFRKSSY-UHFFFAOYSA-N	303.406	1.868	50	20	DDGD	
CO[C@@H](C(=O)NNC(C)=O)c1ccccc1Br	847283286	NYDLBGQZUPJMCU-SNVBAGLBSA-N	301.140	1.304	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N[C@H](C)CCCN)c1ccccc1	841999888	QZVXWFVMPRCPIJ-TZMCWYRMSA-N	306.410	1.638	50	20	DDGD	
COc1ccccc1/C(C)=C\C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843649901	YKYZTHZVULGAQW-XVGBTMSLSA-N	318.373	1.671	50	20	DDGD	
Cc1ccc(C(F)(F)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	843660593	KSHOFNBWXMZSAF-JQWIXIFHSA-N	312.316	1.659	50	20	DDGD	
CCCOc1ccc(C(=O)NN=Cc2cnon2)cc1OC	841611938	CQSRFFMJIIZVEE-UHFFFAOYSA-N	304.306	1.631	50	20	DDGD	
CCC(=NNC(=O)CNC(=O)c1cccnc1)[C@@H]1CC1(C)C	841629373	STMIASOGLMICAS-LBPRGKRZSA-N	302.378	1.740	50	20	DDGD	
N#Cc1ccccc1C=NNC(=O)c1cc([N+](=O)[O-])ccc1O	755751821	ZPEZTQGIIBHQPX-UHFFFAOYSA-N	310.269	1.936	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CC23CCC3)cc1C	759794930	VYSQAKKAEMEPRQ-CYBMUJFWSA-N	315.373	1.580	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CN2C[C@@H]3CCCC[C@@H]32)c1	852220214	JVPZTRBJYUKAPV-GJZGRUSLSA-N	312.373	1.194	50	20	DDGD	
Cc1cnn(CCC(=O)NC[C@@]2(C)C[C@@H]2Br)c1	857399550	RTNCDPYTHVQYBG-CMPLNLGQSA-N	300.200	1.871	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCSC[C@H](C)C2)cc1	753838755	VOJWNBQRNXXELH-CYBMUJFWSA-N	321.446	1.441	50	20	DDGD	
C[C@@H]1COCCN(C(=O)NC[C@@]2(C)C[C@H]2Br)C1	856953337	KMUJXUXQPRRSCG-HOSYDEDBSA-N	305.216	1.838	50	20	DDGD	
N#CCSCC(=O)NNC(=S)NCCc1cccs1	753018309	VTKDCPOXKFSEQW-UHFFFAOYSA-N	314.461	1.043	50	20	DDGD	
O=C(NNC(=O)c1cn(-c2ccc(Cl)cc2)nn1)NC1CC1	920766774	QNZLZBUHDGMLBR-UHFFFAOYSA-N	320.740	1.027	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=C(C)c1cnc[nH]1	853274100	YZIZAJCEZLEHRV-UHFFFAOYSA-N	310.361	1.862	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@@H](OC)C2CCCC2)n1	852654264	CZGJDLBKWUQFRH-GFCCVEGCSA-N	323.397	1.625	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC[C@@H]1CCN1C)c1ccccc1	925415087	YFUXIRFGVMMQTA-UONOGXRCSA-N	304.394	1.215	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)C1CC1)c1cccc(C(F)(F)F)c1	754843254	VQIVAJSJLUMERI-CYBMUJFWSA-N	316.279	1.470	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=Cc1cc(F)ccc1O	853407129	GVGPNDBOHVGSGP-UHFFFAOYSA-N	323.368	1.924	50	20	DDGD	
CC(C)(C)NCCC(=O)NNC(=O)Cc1ccc(Cl)cc1	929332160	FEUSMUJECVZOEY-UHFFFAOYSA-N	311.813	1.808	50	20	DDGD	
Cn1ncc2c1C[C@@H](C(=O)NNc1ncc(Cl)cn1)CC2	857358415	VWSJLWNXGYUDTF-QMMMGPOBSA-N	306.757	1.112	50	20	DDGD	
CC[C@H](C)[C@H](CNC(=O)NNc1ncc(Cl)cn1)OC	856908443	RACFGAYALYNSMZ-WPRPVWTQSA-N	301.778	1.817	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1c(OC)cccc1OC	756922927	VPYODVUMDOBRHE-UHFFFAOYSA-N	309.366	1.377	50	20	DDGD	
COc1cccc([C@H](O)C(=O)NNc2cc(Cl)nc(C)n2)c1	857541218	MPPLTIADPZCFCV-ZDUSSCGKSA-N	322.752	1.624	50	20	DDGD	
O=C(NNC(=O)C1(c2ccccc2Cl)CCC1)c1cc[nH]n1	855354624	GCXIOTUWZMSLAS-UHFFFAOYSA-N	318.764	1.946	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1conc1C(F)(F)F	854683337	OJVCHMXFFWUUOE-SSDOTTSWSA-N	307.228	1.024	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2cnc3n2CCC3)ccc1F	854854398	USMVDHXEIYDMEO-UHFFFAOYSA-N	318.308	1.512	50	20	DDGD	
Cc1nnc(NC(=O)NNCC(F)(F)C(F)(F)F)s1	860282028	KDNJITYRFBLNPG-UHFFFAOYSA-N	305.232	1.670	50	20	DDGD	
Cc1ccccc1C[C@H](C)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	862095376	KEQDXYNJOFTSGJ-KCQAQPDRSA-N	304.390	1.746	50	20	DDGD	
CC(=O)N/C(=C/c1ccccc1)C(=O)NN[C@@H](C)C(F)(F)F	862305500	OWUDFOSDCWDKQK-KWINOFQJSA-N	315.295	1.735	50	20	DDGD	
CCc1noc2ncc(S(=O)(=O)N3CC=C(C#N)CC3)cc12	762548870	NMBVZCSOXVBHNO-UHFFFAOYSA-N	318.358	1.630	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1cc2c(nc1O)CCC2	768503870	LRDGCPZRXMUYRQ-UHFFFAOYSA-N	309.329	1.909	50	20	DDGD	
O=C1NCCC[C@@H]1C(=O)NNc1ccc(C(F)(F)F)cn1	867492553	AJMRUVWIRSWPHR-QMMMGPOBSA-N	302.256	1.070	50	20	DDGD	
COc1cccc2c(C(=O)NN[C@H](C)C(F)(F)F)n[nH]c12	862319314	BCCMRENWCISXJV-ZCFIWIBFSA-N	302.256	1.757	50	20	DDGD	
CC(C)C(=O)NNC(=O)NC1CC(OCc2ccccc2)C1	766108500	LLJRXLSZJQQENP-UHFFFAOYSA-N	305.378	1.721	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNC(=O)c1cncc(NC(C)=O)c1	863898395	IUYFLGUFKBFYSL-ZDUSSCGKSA-N	322.365	1.006	50	20	DDGD	
COc1c(C(=O)NN[C@H](C)C(F)(F)F)cccc1[N+](=O)[O-]	862318692	WDIUVFGZUCJGFZ-ZCFIWIBFSA-N	307.228	1.789	50	20	DDGD	
CCOCC(=O)NN=C(C)c1cc(Br)ncc1F	762423449	FLCKQUCBVKHXOY-UHFFFAOYSA-N	318.146	1.860	50	20	DDGD	
CCCN(C)c1ccccc1NC(=O)C(=O)NNC(=O)CC	861802620	MVYPXNZDHKJUDX-UHFFFAOYSA-N	306.366	1.029	50	20	DDGD	
Cc1cc(C(=O)NN=C2C(=O)Nc3ccc(Cl)cc32)n[nH]1	764792715	CPNJJCAQULEVLL-UHFFFAOYSA-N	303.709	1.458	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N(C1CCCCC1)C1CC1	864984920	BQLGLWWJUPRXSL-UHFFFAOYSA-N	305.158	1.443	50	20	DDGD	
CCC(=O)NNC(=O)COc1ccccc1Br	764141666	CTWDWKWHEMDBPJ-UHFFFAOYSA-N	301.140	1.385	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@@]1(c2ccccc2)CCCO1	930734652	QFBKWRPVWSAUAK-INIZCTEOSA-N	303.362	1.433	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)[C@@H](C)OCCOC)CCCC1	761779737	UTJIUAZOBTZSGG-GFCCVEGCSA-N	315.414	1.339	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cccnc1OCC(F)F	760331428	JKPOLXHKKXRNMQ-UHFFFAOYSA-N	313.304	1.677	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)c1cnn(-c2ccccc2)c1)C(C)C	769938131	USWVBBAEBLRKMQ-AWEZNQCLSA-N	316.361	1.304	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H](Br)C(C)(C)C	767994884	TVOFDRWPBBGRGG-QMMMGPOBSA-N	317.187	1.289	50	20	DDGD	
O=S(=O)(NC[C@@H]1COCO1)c1ccc(CCCl)cc1	867398419	WUWPFHAPGHGYLQ-LLVKDONJSA-N	305.783	1.119	50	20	DDGD	
COC1CC(C(=O)NNC(=O)c2cc(C)nc3ccccc23)C1	861507812	CHUPVGAUNOJEQC-UHFFFAOYSA-N	313.357	1.729	50	20	DDGD	
O=C(NN=CC[C@H]1CCOC1)c1nnc(O)c2ccccc12	765559929	NBUOLQHWMKMSDT-JTQLQIEISA-N	300.318	1.478	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1C[C@@H](OC(C)C)C1(C)C	764910952	WPMOMEVCVCFQOA-CYBMUJFWSA-N	311.426	1.987	50	20	DDGD	
C[C@H](CC(=O)NN[C@H](C)C(F)(F)F)NC(=O)OC(C)(C)C	862310650	CNOGXUKGRJIXFS-HTQZYQBOSA-N	313.320	1.861	50	20	DDGD	
CN(N=C1CCC[C@@H](N2C(=O)c3ccccc3C2=O)C1)C(N)=O	767907528	JCIUTLYIUGLGTO-LLVKDONJSA-N	314.345	1.592	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)c1ccc(F)nc1	765247763	JJJKXZSWKZBADN-UHFFFAOYSA-N	321.333	1.480	50	20	DDGD	
COc1cc(C(=O)NNc2ccnc(N(C)C)n2)ccc1F	764324296	NSFYTGJTZXZHBM-UHFFFAOYSA-N	305.313	1.447	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)COCCOC)[C@H](C)C1	872401489	XGBWBWFWZBSDKG-NEPJUHHUSA-N	314.382	1.121	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNc2nc3ccccc3[nH]2)C1	768516161	VOAKRVJARAAUFZ-SNVBAGLBSA-N	301.350	1.265	50	20	DDGD	
CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)NN=c2cc[nH]c(C)c2)C1	875352612	MFYNQCNYHXPBQN-BWFKNJDFSA-N	324.450	1.518	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNC(=O)c2cccc(F)n2)[nH]n1	764751766	NJNJOSKXEANRNO-UHFFFAOYSA-N	305.313	1.316	50	20	DDGD	
CC[C@H](C(=O)NNC(=S)Nc1ccc(C)c(C)c1)N(C)C	873763386	AVOFQCWZVYRLKI-CYBMUJFWSA-N	308.451	1.961	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCc1c[nH]c2cccc(OC)c12	875468019	DFBKAXVNHPYQSZ-UHFFFAOYSA-N	320.349	1.631	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H](OC)c1cccc(OC)c1	875768569	RDLDOBVSWCBUJP-LBPRGKRZSA-N	311.338	1.295	50	20	DDGD	
CN1CCC(C=NNC(=O)Cc2nc3ccccc3n2C)CC1	872332863	VFKKGDDKIYYFIM-UHFFFAOYSA-N	313.405	1.560	50	20	DDGD	
CC1=NO[C@H](CNC(=O)NNC(=O)C(C)(C)c2ccccc2)C1	875974894	WBSVBSJINFXVSB-ZDUSSCGKSA-N	318.377	1.459	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNC(=O)c1nc2ccccc2s1	874914498	YTWGXGDMHJFIGJ-CQSZACIVSA-N	307.375	1.608	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccnc(OCC(F)(F)F)c1	879121154	BLEYIVDJAJUEAN-UHFFFAOYSA-N	322.287	1.637	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc2c(nc1O)CCC(C)(C)C2	1116516062	YJNUVHGLCFRFNS-UHFFFAOYSA-N	320.393	1.608	50	20	DDGD	
O=C1CC[C@@]2(C(=O)NNc3cc(Cl)ccn3)SCCN12	778451644	NXMHYJSOHYLZAL-LBPRGKRZSA-N	312.782	1.244	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2	1116863679	KBLKBRZFGLAEOO-RYUDHWBXSA-N	318.377	1.210	50	20	DDGD	
Cc1nc(C(C)C)nc(O)c1C(=O)NNc1ncncc1F	1117766873	UNQLZWYUFGMMBX-UHFFFAOYSA-N	306.301	1.300	50	20	DDGD	
CC(C)[C@H](NC(=O)c1cccs1)C(=O)NNc1ccn(C)n1	1116852257	JYACPQKDCXOEBA-LBPRGKRZSA-N	321.406	1.379	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cnc(O)c([N+](=O)[O-])c1	770649871	QVYPNGPBVMAMSC-UHFFFAOYSA-N	319.233	1.361	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1nc2ccc(Cl)cc2n1C	1116266728	MABFJUPDIJVEFD-UHFFFAOYSA-N	308.725	1.240	50	20	DDGD	
CCCOc1cccnc1C(=O)NNc1nncc(N)c1Cl	1116784131	YLPQHMLIESZORQ-UHFFFAOYSA-N	322.756	1.653	50	20	DDGD	
O=C(CSc1ccccc1Cl)NNC(=O)c1cn[nH]c1	770263212	CCYKNIAUIHIWOK-UHFFFAOYSA-N	310.766	1.616	50	20	DDGD	
COCCOCC(=O)NN=Cc1nc2cc(Cl)ccc2n1C	872401236	LZNPJFWPPKNBAP-UHFFFAOYSA-N	324.768	1.340	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1	878672062	AVYOXGRZTAHKFJ-UHFFFAOYSA-N	322.409	1.748	50	20	DDGD	
Cc1nn(C)c(C(=O)NNc2cccnc2Cl)c1[N+](=O)[O-]	777523197	IRGURWNAWGUXTI-UHFFFAOYSA-N	310.701	1.442	50	20	DDGD	
COc1ccccc1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	771885828	WEHGLHHQRBTQBN-NSHDSACASA-N	322.361	1.434	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc(C(C)C)c([N+](=O)[O-])c1	779823568	SFBLXZYIBXXVAO-UHFFFAOYSA-N	322.321	1.524	50	20	DDGD	
O=C(NC[C@H]1C=CCC1)NNC(=O)[C@@H]1COc2ccccc2O1	883778801	IQJMCOMNYVIPSQ-FZMZJTMJSA-N	317.345	1.123	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)C1CCOCC1)c1ccccc1F	883062409	AXSWGFYEQCXLBL-NSHDSACASA-N	308.353	1.893	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccc(-n2cccn2)nc1	772815823	NQLNNUOJJSYTMA-UHFFFAOYSA-N	323.360	1.938	50	20	DDGD	
CO[C@H]1CCC[C@@H]1C(=O)NNC(=O)COc1ccc(C)c(C)c1	1120577427	ZMQCIMNFPHHHJX-GJZGRUSLSA-N	320.389	1.645	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNC(=O)c2cccnn2)cc1	882056636	BGBIGAFANSYFLA-NSHDSACASA-N	314.345	1.125	50	20	DDGD	
NC(=O)c1cccc2c1CCCN2S(=O)(=O)CCCCl	881788317	YFUMHXVNANAMBK-UHFFFAOYSA-N	316.810	1.497	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Nc2ccc(F)cn2)c1O	775731545	WNBVRYHSLBFERK-UHFFFAOYSA-N	320.280	1.401	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1c[nH]nc1-c1cnn(CC)c1	778586008	NXQRJHUAKOUVBP-UHFFFAOYSA-N	319.369	1.037	50	20	DDGD	
CC(C)/C=C\c1cn(CC(=O)NNC(=O)c2ccccc2)nn1	880996924	LJDQUUABDPAQOT-HJWRWDBZSA-N	313.361	1.409	50	20	DDGD	
COc1cccc(COCC(=O)NNc2ccnc(F)c2)c1	781363956	UFOXLKFXQWSTGR-UHFFFAOYSA-N	305.309	1.889	50	20	DDGD	
C[C@H](OC(=O)/C(C#N)=C/c1ccccc1)C(=O)N(C)CCC#N	785343431	FVQPGWIBGVWWFD-JMRXEAOASA-N	311.341	1.897	50	20	DDGD	
N#CC1=CCN(C(=O)C(=O)c2cnn(-c3ccccc3)c2)CC1	780687733	JIYYKBXYKRWIBE-UHFFFAOYSA-N	306.325	1.737	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C1CCOCC1)[C@H]1CCC[C@@H](C)C1	883684510	JIQWAFSNLNYQFJ-DYEKYZERSA-N	311.426	1.958	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](O)Cc1ccccc1Cl	887146976	SDMOYFICCJVFOD-ZDUSSCGKSA-N	308.765	1.194	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cc(O)ccc2Cl)n1	788267007	JXENYIURIDIJQQ-UHFFFAOYSA-N	322.752	1.320	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=S)NC(C)(C)C	899995023	DYTPRJDNHPQGCR-GMTAPVOTSA-N	300.472	1.542	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCCCc1ccccc1	892229687	VSKIZZBWPULOOW-HIFRSBDPSA-N	304.390	1.972	50	20	DDGD	
Cc1nc2scc(C3CC3)n2c1C=NNC(=O)C(C)(C)O	785461867	ZSHXFDCIBRBHQY-UHFFFAOYSA-N	306.391	1.803	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NNCC(F)(F)C(F)(F)F	899141921	IIADDZMCPZXNFH-ZETCQYMHSA-N	303.275	1.678	50	20	DDGD	
CCOC(=O)C1(CNC(=O)NNc2ncncc2Cl)CC1	781019487	NXPGFMXGBVOEMW-UHFFFAOYSA-N	313.745	1.099	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC[C@H](C(N)=O)C1	781070974	NNAMULUJDWNEMZ-IUCAKERBSA-N	305.216	1.520	50	20	DDGD	
CCCNC(=O)NC(=O)COC(=O)/C(C#N)=C/c1ccccc1	785367230	UJPXPIUZUBTRJK-UKTHLTGXSA-N	315.329	1.373	50	20	DDGD	
COCCOCc1cccc(NC(=O)NNC(=O)C(C)C)c1	782556174	LVUVLCPXBAECGO-UHFFFAOYSA-N	309.366	1.658	50	20	DDGD	
CN1CCc2ccc(NC(=O)C(=O)NNc3ccccn3)cc21	784795453	ZEUGUBLVMBXZHZ-UHFFFAOYSA-N	311.345	1.156	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@H]1CCCN1c1ccccc1	899995814	GIOIMAKAMFNRPA-CYBMUJFWSA-N	320.462	1.949	50	20	DDGD	
C[C@]1(CCC(=O)NNC(=O)NC2CCCCC2)CCC(=O)N1	792797442	MPVRFMXTLZIJIR-OAHLLOKOSA-N	310.398	1.098	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCC(C)(C)c2ccccc21	794859559	WOZDSBBHRFTVMZ-UHFFFAOYSA-N	303.362	1.934	50	20	DDGD	
CC1(C)CC(C(=O)NNC(=O)c2cc(Br)c[nH]2)C1	794619870	FEVYJMJCHQPJKD-UHFFFAOYSA-N	314.183	1.974	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)c2ccc(OC)c(OC)c2)CC1	799294624	HYHVQDQZTLDQJI-UHFFFAOYSA-N	322.361	1.282	50	20	DDGD	
O=C(CCc1cnccn1)NNc1cccc(F)c1[N+](=O)[O-]	793990119	VMYZRMRDSOSJTJ-UHFFFAOYSA-N	305.269	1.600	50	20	DDGD	
COc1cccc(NNC(=O)[C@H]2CCC(=O)c3cccn32)n1	790015546	KYTAMMVBLOAHKF-LLVKDONJSA-N	300.318	1.553	50	20	DDGD	
C=C(CBr)COC(=O)CNC(=O)c1ccccc1	795341301	DGMJNKZCFFAJHB-UHFFFAOYSA-N	312.163	1.911	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc2cnn(CC)c2nc1C	799411395	NXWMFTQMXDAJBV-UHFFFAOYSA-N	304.354	1.114	50	20	DDGD	
Cc1ccc(CCNC(=O)NNc2nncc(N)c2Cl)o1	1319763815	SMNAMQGHPXZANA-UHFFFAOYSA-N	310.745	1.482	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1csc(-c2cnn(C)c2)n1	1317885239	ZCYHYPNBHAWCNG-UHFFFAOYSA-N	324.435	1.061	50	20	DDGD	
CNC(=O)[C@@H]1CCCN(C[C@H](CBr)C2CC2)C1	701842144	BHLQNHCIEKLNEO-NEPJUHHUSA-N	303.244	1.866	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1326598664	ICOTXFWFZMCCLW-MNOVXSKESA-N	304.394	1.876	50	20	DDGD	
CSSCCNC(=O)c1cccc(N2CCNC2=O)c1	1323368824	MWOUAAJHLQCULK-UHFFFAOYSA-N	311.432	1.957	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)NC/C=C/C1CC1	1330852658	CFUSHVFKVCXVAJ-ONEGZZNKSA-N	307.325	1.501	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)NCCCC(F)F)c1	1335192434	BGSZOLUNGCUGQF-UHFFFAOYSA-N	321.349	1.762	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2c[nH]c3ncccc23)cc1	1251213327	CXGXDBMGCVIYQX-UHFFFAOYSA-N	310.313	1.646	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21	1339484059	SEBUUSPURHNMKS-DMTCVQMQSA-N	322.336	1.165	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@]2(F)CCOC2)c1F	1261361349	PEWOBXGSAFVWHX-CYBMUJFWSA-N	300.261	1.184	50	20	DDGD	
O=C(C1CCC(Cl)CC1)N1CCN(C[C@H]2CCOC2)CC1	1349288649	PZWFGFRZDJQBFN-WLYUNCDWSA-N	314.857	1.965	50	20	DDGD	
CCOc1ccc(C(=O)NNCC(F)(F)C(F)(F)F)cn1	1348411895	QAMNSMJRSONCLF-UHFFFAOYSA-N	313.226	1.912	50	20	DDGD	
O=C(CCc1ncccn1)NNc1cccc(F)c1C(=O)O	1601294544	LKQBVYOCKDINPL-UHFFFAOYSA-N	304.281	1.390	50	20	DDGD	
O=C(NCCc1ccoc1)NNc1ccc(C(=O)O)cc1F	1601513257	MCIRDKROKOJZMA-UHFFFAOYSA-N	307.281	1.986	50	20	DDGD	
O=C(O)Cc1occc1C(=O)NNC(=O)c1cccc(Cl)n1	1602155559	UQLKDDFKARDPCQ-UHFFFAOYSA-N	323.692	1.030	50	20	DDGD	
COC(=O)[C@H](NNC(=O)CCC(C)C)c1cccc(C(=O)O)c1	1606341120	BLUPZQUHDTZQGR-CQSZACIVSA-N	322.361	1.656	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(C)c(C(=O)O)c2)o1	1600341143	PADMJMOGTFJYJD-UHFFFAOYSA-N	302.286	1.669	50	20	DDGD	
O=C(O)CC1(C(=O)NNc2cccnc2Cl)CCOCC1	1606072063	ZZUGQZGNOJJWBH-UHFFFAOYSA-N	313.741	1.450	50	20	DDGD	
COC[C@@]1(C(=O)NNc2ccc(C(=O)O)cc2F)CCOC1	1606822423	UQTSPAUVEWHZJR-AWEZNQCLSA-N	312.297	1.020	50	20	DDGD	
CN(C1(C(=O)O)CCCCC1)S(=O)(=O)CBr	1606072109	IQWXKXUALMSTFY-UHFFFAOYSA-N	314.201	1.388	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2ccc(F)c(C(=O)O)c2)CCCO1	1604577167	FFHWFYZLXYMESX-AWEZNQCLSA-N	311.313	1.719	50	20	DDGD	
Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNc1ccccc1C(=O)O	1610568518	HIVYWSMKCIBBAH-SECBINFHSA-N	316.361	1.982	50	20	DDGD	
Cc1c([C@@H]2CN(C[C@@H]3[C@H](C)[C@H]3Cl)C[C@@H]2C(N)=O)cnn1C	1550648147	FUJQLWWALVEZQJ-PXSMZSCLSA-N	310.829	1.103	50	20	DDGD	
CC[C@H](C)O[C@@H]1CS(=O)(=O)C[C@H]1I	253141895	XKOZNRFBXIIFCD-XLPZGREQSA-N	318.176	1.402	50	20	DDGD	
Cc1cnc(Cl)c(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)c1	1550354938	ZWLCWDSKQUFQBQ-STQMWFEESA-N	322.796	1.357	50	20	DDGD	
CCCCNC(=O)NN=C[C@@H]1CCCO[C@@H]1c1ccnn1C	1552448007	ZPUFPPFRSDGLAE-JSGCOSHPSA-N	307.398	1.973	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)C[C@@]1(O)CCNC1	1579646339	AIDYLSHSEOYHHV-INIZCTEOSA-N	300.362	1.101	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C[C@@H](N)C2CC2)c(C)c1	1579723440	AOYKDGVFENZOSB-GFCCVEGCSA-N	306.435	1.748	50	20	DDGD	
Cc1c(NNC(=O)CCC23CC(CN2)C3)cccc1[N+](=O)[O-]	1579541275	OJHUCBXEJOCUGJ-UHFFFAOYSA-N	304.350	1.879	50	20	DDGD	
COC[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1841661926	FRITXPCJMIWPJA-VHSXEESVSA-N	306.765	1.007	50	20	DDGD	
N[C@H]1CCCCCC[C@@H]1C(=O)NNC(=O)Cc1ccccc1O	1580181882	DGHAVRGEXDYUNA-KBPBESRZSA-N	319.405	1.380	50	20	DDGD	
C=CCCOCC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1588615734	FWSISNOBRORJKE-UHFFFAOYSA-N	321.341	1.014	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1ccc(C(=O)O)nc1	1594689326	MSZOFAUOPJOZIV-UHFFFAOYSA-N	313.313	1.174	50	20	DDGD	
CO[C@H]1C[C@H](CNC(=O)NNc2cccc(C(=O)O)c2F)C1	1599326319	FSVNNKNTROMMLZ-KYZUINATSA-N	311.313	1.575	50	20	DDGD	
COc1ccc(NNC(=O)CCc2ocnc2C(=O)O)cc1	1599597522	XEHFLCXHXFDXMQ-UHFFFAOYSA-N	305.290	1.457	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)Cn1ccnc1C	1599377322	SKGZISCAJXFQEZ-UHFFFAOYSA-N	304.306	1.042	50	20	DDGD	
CC1CCN(CCNC(=O)NNc2cccc(C(=O)O)c2)CC1	1594419465	DYMILNMIUUKQFU-UHFFFAOYSA-N	320.393	1.743	50	20	DDGD	
COc1cc(C)nc(NNC(=O)/C=C\c2ccc(C(=O)O)o2)n1	1594057948	VQWSVFKGIBHIBY-XQRVVYSFSA-N	318.289	1.241	50	20	DDGD	
CN(C)N(C(=O)C1(F)CCCC1)c1nc(CC(=O)O)cs1	1598256554	SACXFCSVWHLLQN-UHFFFAOYSA-N	315.370	1.862	50	20	DDGD	
CN1CCC[C@H]1CNC(=O)NNc1cccc(C(=O)O)c1F	1598602697	MUWHQMAFMXEUBU-VIFPVBQESA-N	310.329	1.244	50	20	DDGD	
O=C(/C=C\c1ccc(C(=O)O)o1)NNC(=O)OCC(F)(F)F	1594673593	ZAKQJOXXLOCUKB-RQOWECAXSA-N	322.195	1.311	50	20	DDGD	
CCNC(=O)CCCC(=O)NNc1cccc(F)c1C(=O)O	1596458290	IYZJCWIIJBRFML-UHFFFAOYSA-N	311.313	1.273	50	20	DDGD	
CC1(C)OCC(NC(=O)NNc2ccc(CC(=O)O)cc2)CO1	1593976524	IDTDPTLMRCZUNV-UHFFFAOYSA-N	323.349	1.091	50	20	DDGD	
CC(=NNC(=O)c1cccnn1)[C@@H]1C[C@H](CC(=O)O)C1(C)C	1776103308	CQSUIPLNAWVRIC-MNOVXSKESA-N	304.350	1.719	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1cncc(C(=O)O)c1	1776120590	NOGDNSZPTGWFTM-SDQBBNPISA-N	303.318	1.230	50	20	DDGD	
N#CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](F)Cl)CC1	1796806176	VXNIMKJMHCJLCH-VLEAKVRGSA-N	313.760	1.463	50	20	DDGD	
C[C@@H]1CC(NC(=O)NNC(=O)Cc2ccccc2F)C[C@@H](C)O1	162157983	TUIJIQJOAPQUKX-GHMZBOCLSA-N	323.368	1.655	50	20	DDGD	
CC(C)(C(=O)NNc1cccc(F)c1)n1cc([N+](=O)[O-])cn1	155072473	LWYNQRXZTONGJH-UHFFFAOYSA-N	307.285	1.809	50	20	DDGD	
CCN(CC(=O)NNC(=O)Cc1ccccc1C)CC1CC1	157949542	ORZXAGOWPWATEO-UHFFFAOYSA-N	303.406	1.417	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CCc2nc3cccnc3[nH]2)n1	109939116	XBMXVIFVZJJIMO-UHFFFAOYSA-N	311.349	1.441	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccc(OCC#N)c(OC)c1	108098256	KBNFUCJMDAFQCC-LCYFTJDESA-N	316.313	1.694	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1ccc2[nH]cnc2c1	106288128	DMQQVGXQYKGWMV-UHFFFAOYSA-N	324.340	1.662	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(-n3cccn3)ccn2)o1	175844884	XIZWMQNFGSUBFU-UHFFFAOYSA-N	311.301	1.244	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2[nH]c(C)c(C(C)=O)c2C)n1	174500884	YLGQSFMPGSQHIM-UHFFFAOYSA-N	317.349	1.698	50	20	DDGD	
CC(=O)Nc1ccc(F)c(C(=O)NNC(=O)NC2CCCC2)c1	65919138	WGGIKXVMQNPRGS-UHFFFAOYSA-N	322.340	1.671	50	20	DDGD	
Cc1noc(-c2ccc(C(=O)NNC(=O)NC3CC3)cc2)n1	68266703	RRNACQKTAQHHCV-UHFFFAOYSA-N	301.306	1.151	50	20	DDGD	
Cc1ccc(N2C[C@H](C(=O)NNC(=O)C3CC3)CC2=O)cc1F	29509490	XMFYJLYMDBPEGW-LLVKDONJSA-N	319.336	1.044	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C1[C@H]2CCC[C@@H]12	178074989	YMEGRRJTNGHGQX-YWXMQNBFSA-N	304.346	1.268	50	20	DDGD	
COC(C)(C)C[C@@H](C)NC(=O)NNC(=O)Cc1cccnc1	176392437	HYOJORLULOWMPE-LLVKDONJSA-N	308.382	1.158	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccc(C)cc2O)cc1	60792935	DAYQSWLDFCUXHH-UHFFFAOYSA-N	314.341	1.849	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)CC[C@H]1CCOC1	176140607	PQAKZFVPSBVDJE-LBPRGKRZSA-N	306.362	1.289	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1ccc(OC(F)F)cc1	173952595	AEQRFEOMWILDMA-UHFFFAOYSA-N	320.259	1.711	50	20	DDGD	
C[C@@H](Sc1nc2ccccc2s1)C(=O)NN(C)C(N)=O	182654735	APHNMRQDGPDXRA-SSDOTTSWSA-N	310.404	1.819	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(C)c1ccccc1N(C)C	127492229	UMTBBZMAJVHAIG-ZDUSSCGKSA-N	320.437	1.771	50	20	DDGD	
CC(C)Oc1cccc(C(=O)NNC(=O)c2cccnc2)n1	121651579	VXHCESROIYFJKG-UHFFFAOYSA-N	300.318	1.339	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	121146966	SGKPYUNUMZVUPL-UHFFFAOYSA-N	322.708	1.662	50	20	DDGD	
Cc1ccc(F)cc1NC(=O)C(=O)NNC(=O)CC(C)(C)C	126177421	XUNNCTSDNCEDMJ-UHFFFAOYSA-N	309.341	1.656	50	20	DDGD	
O=C(NNC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)c1ccccn1	215049022	LEMMDYWDSQCNDN-VDQHWBOFSA-N	315.373	1.174	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(C)c2F)o1	129634993	VSGVQTOPCJVGPL-UHFFFAOYSA-N	319.292	1.435	50	20	DDGD	
CCC[C@@H]1C[C@@H](C(=O)NNc2nc(C)cc(OC)n2)CCO1	184108751	POIIOCBVFFGUNY-NWDGAFQWSA-N	308.382	1.832	50	20	DDGD	
COCCN(C)CCCNC(=O)/C(C#N)=C\c1ccc(F)cc1	182186007	YHFURQVHPUINIV-QINSGFPZSA-N	319.380	1.817	50	20	DDGD	
C[C@@H](CNC(=O)NNc1nc2ccccn2n1)c1nccs1	189941723	BWRRUEFKZZZTDN-VIFPVBQESA-N	317.378	1.616	50	20	DDGD	
CN(NC(=O)CCCc1ncc(-c2ccccc2)o1)C(N)=O	181056463	DPCITFVTKMYMKV-UHFFFAOYSA-N	302.334	1.706	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2cccc3c2CCCC3)cn1	120172822	NVQMWORLFKQOTK-UHFFFAOYSA-N	310.357	1.816	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2ccc(F)cn2)cc1	182645740	BZZYDSPMRAJZDM-UHFFFAOYSA-N	318.308	1.102	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNC(=O)Cn1ccc2ccccc21	129031262	QFJPJIMKQURCBP-ZDUSSCGKSA-N	318.377	1.397	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(C#N)[nH]1	133118686	FVBGQTDCENSIJO-VIFPVBQESA-N	316.292	1.254	50	20	DDGD	
C[S@](=O)c1ccc(NC(=O)NNC(=O)c2ccc[nH]2)cc1	186162329	FQUOKIVVRRTJQF-NRFANRHFSA-N	306.347	1.219	50	20	DDGD	
COc1cccc([C@@H](C)C(=O)NNc2nccnc2OC)c1	131734082	DWIGYJCOGSMIFU-SNVBAGLBSA-N	302.334	1.741	50	20	DDGD	
C[C@@H](C[S@@](C)=O)NC(=O)NNC(=O)c1cccc(Cl)c1	183607848	XEBLRWOWBBJUPI-FFVOIRBGSA-N	317.798	1.051	50	20	DDGD	
CC[C@@H]1CCC[C@H]1NC(=O)NNc1ccc(-n2cccn2)nn1	132394909	LWIXDLZMAUYGHE-VXGBXAGGSA-N	315.381	1.867	50	20	DDGD	
C[C@H](CNC(=O)NNc1ncccn1)N1CCc2ccccc21	47015278	ZWDSRMRXUXQXRI-GFCCVEGCSA-N	312.377	1.554	50	20	DDGD	
CCCNC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	193041662	PXFGOCQWULYCBZ-POHAHGRESA-N	304.262	1.936	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)c1ccc(C)cc1O)c1ccccc1	80388522	VHRZNKWHIFUJFY-OAHLLOKOSA-N	314.341	1.849	50	20	DDGD	
COc1cccc([C@H](C)C(=O)NNC(=O)c2cccn2C)c1	194403326	KNGSLXVWZXECPZ-NSHDSACASA-N	301.346	1.598	50	20	DDGD	
Cc1cc(OCC(=O)NNC(=O)C(C)(C)O)cc(C)c1Cl	192918830	NEVITTFVDICASG-UHFFFAOYSA-N	314.769	1.254	50	20	DDGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCNC1	237818583	LDSHKRLHCSLJEF-SECBINFHSA-N	307.741	1.443	50	20	DDGD	
COC(=O)C[C@H]1CCCN1C(=O)NNC(=O)c1ccccc1	269347095	IUNZMPWZDDPGJC-GFCCVEGCSA-N	305.334	1.069	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC2CCCC2)c2c(C)n[nH]c2n1	263731173	UCTUSSCOYACCCF-UHFFFAOYSA-N	315.377	1.916	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNC(=O)c1cccc(OC)c1O	264264297	UTSVJTSZBVJBMI-LBPRGKRZSA-N	321.377	1.036	50	20	DDGD	
CC(C)c1nn(C)c2sc(C(=O)NNC(=O)C3CC3)cc12	266230229	LRWWBAGQHDCQKG-UHFFFAOYSA-N	306.391	1.929	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1ccnc(OC(C)C)c1	269823957	JVXRLLKQIOYYOQ-UHFFFAOYSA-N	308.382	1.745	50	20	DDGD	
CSc1ccsc1C(=O)NNC(=O)N1CCOCC1	264350617	CVFVHDTZWAGSHC-UHFFFAOYSA-N	301.393	1.157	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)C(C)(C)C3CCCC3)nc21	270220286	PEMMDIZQZYJJGW-UHFFFAOYSA-N	318.381	1.728	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccc(NC(=O)NC2CC2)c1	271430428	PNMKODYCUVNKAP-UHFFFAOYSA-N	319.365	1.277	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1cnc(Cl)c(F)c1	277774723	XENNAVPUNQUKRR-UHFFFAOYSA-N	309.750	1.230	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1c[nH]nc1-c1ccsc1	275496311	LPIXBXVUCPCJMB-UHFFFAOYSA-N	323.378	1.119	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)Nc1cccc2c1CCCC2	274046298	HJFMHONGXSWADH-UHFFFAOYSA-N	315.373	1.451	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCN2C(=O)NC[C@@H]2C1	373300904	JJYILPJTOIUQKB-RKDXNWHRSA-N	318.215	1.032	50	20	DDGD	
COCCC(C)(C)C(=O)NNc1ccc(-n2ccnc2)nn1	278712098	SZZTUTCENLXRRV-UHFFFAOYSA-N	304.354	1.168	50	20	DDGD	
CCCCn1nccc1NC(=O)C(=O)NCCSSC	285310886	QYTRGHDWWDHERI-UHFFFAOYSA-N	316.452	1.749	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)n1	371099390	MGHAVDCMHDHZOF-WCQGTBRESA-N	321.381	1.315	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCN2C(=O)OC[C@@H]2C1	372520497	FWWMVDSZJJRKRW-IUCAKERBSA-N	319.199	1.459	50	20	DDGD	
COCCN(C)NC(=O)COc1ccccc1Br	288330259	DWIRUTHSICPGRP-UHFFFAOYSA-N	317.183	1.437	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2cn(C(C)C)cn2)c1	281556090	PLRXJKOHEQHTQL-UHFFFAOYSA-N	316.361	1.612	50	20	DDGD	
O=C(NNc1ncccc1F)[C@@H]1CCCN(CC(F)(F)F)C1	285807572	AYBQXJRDZYASLJ-SECBINFHSA-N	320.290	1.938	50	20	DDGD	
C[C@H]1CCC[C@@H]1CC(=O)NNc1ccc(-n2ccnc2)nn1	286781319	XFIVBJPSRMUKKJ-NWDGAFQWSA-N	300.366	1.932	50	20	DDGD	
CC(C)(C)S(=O)(=O)CCNC(=O)NNc1cccc(F)n1	286637142	ITSJXZCHIRRCTO-UHFFFAOYSA-N	318.374	1.060	50	20	DDGD	
Cc1ccccc1C[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCCCO1	296318720	LLENBPKBUOSPBB-HIFRSBDPSA-N	319.405	1.826	50	20	DDGD	
C#CCCCC(=O)NNc1ccccc1S(=O)(=O)N(C)C	292048436	ASSYYRANEGXZRO-UHFFFAOYSA-N	309.391	1.184	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccccc1OC1CC1	291667143	LYJFAEAIQHDLAW-UHFFFAOYSA-N	317.267	1.734	50	20	DDGD	
CC(C)Oc1cccc(NC(=O)C(=O)NNC(=O)CC2CC2)c1	297298497	HWVYEUABGSNKIS-UHFFFAOYSA-N	319.361	1.360	50	20	DDGD	
CC1=C(C(=O)NNc2nc(O)c3ccccc3n2)SCCO1	807048552	JJVWBNFJLXSFCS-UHFFFAOYSA-N	318.358	1.773	50	20	DDGD	
Cn1[nH]cc2c(=NC(=O)NNc3ncccc3Cl)ccnc1-2	806493032	NJZAGAKKLUHTKW-UHFFFAOYSA-N	317.740	1.539	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C(C)(F)F)cc1	292795901	ZXSXIJWHMDKSAE-SECBINFHSA-N	316.304	1.655	50	20	DDGD	
CO[C@H](Cc1ccccc1)C(=O)NNC(=O)c1ccc(C)o1	295141323	OQGOOEPNUGJZEH-CQSZACIVSA-N	302.330	1.607	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@H]2CCc3ccccc32)O1	297576895	OTUFHDZFUOFCSJ-BPNCWPANSA-N	303.362	1.572	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(-c2cncnc2)cc1F	294346428	KECWWQHQYUOKCQ-UHFFFAOYSA-N	304.325	1.506	50	20	DDGD	
C[C@@H](Sc1nnnn1C1CC1)C(=O)NNc1ncccc1F	804214087	SHIJCMLEINFJLK-SSDOTTSWSA-N	323.357	1.166	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1csc(NC2CC2)n1	802024429	PLVHWOHOCBWRFN-UHFFFAOYSA-N	318.362	1.001	50	20	DDGD	
CC(=O)N/C(=C/c1ccccc1)C(=O)NNC(=O)CC1CC1	298407601	IOBDXFVNHSKISI-NTEUORMPSA-N	301.346	1.111	50	20	DDGD	
CO[C@@](C)(CNC(=O)NNC(=O)Cc1ccccc1F)C1CC1	291478137	KULDYWBRRFRWQB-INIZCTEOSA-N	323.368	1.514	50	20	DDGD	
C=C(CBr)COC(=O)CCCCN1CCOCC1	803512406	NLMXOJACJFFHBU-UHFFFAOYSA-N	320.227	1.983	50	20	DDGD	
CCN(C)C(=O)c1cccc(NC(=O)NNC(=O)C2CC2)c1	806775630	ISLSXBGJTDEMFX-UHFFFAOYSA-N	304.350	1.341	50	20	DDGD	
CC(=O)CSCC(=O)NNc1ccc2c(=O)[nH]ccc2c1	803432219	KVGULGYUPPTDQX-UHFFFAOYSA-N	305.359	1.293	50	20	DDGD	
O=C(CCc1ccncn1)NNC(=O)Nc1cc(F)cc(F)c1	802000712	YDIPJSQCCYLCNG-UHFFFAOYSA-N	321.287	1.540	50	20	DDGD	
C#CCSCCNC(=O)NNc1ccc2c(=O)[nH]ccc2c1	806845226	JUYZNZKORPYKOK-UHFFFAOYSA-N	316.386	1.521	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)C2(C#N)CCC2)cc1	802122249	HOQUREFQKZJJGU-UHFFFAOYSA-N	301.350	1.599	50	20	DDGD	
CCc1cc(NC(=O)NNC(=O)Cc2cc[nH]n2)ccc1F	806560548	OIVJKXYHCKYMHM-UHFFFAOYSA-N	305.313	1.507	50	20	DDGD	
CCOC1CC(=NNC(=O)c2nn(C)c(=O)c3ccccc23)C1	814740712	UFQCOFKZLPFYTG-UHFFFAOYSA-N	314.345	1.218	50	20	DDGD	
COc1ccc(C(C)=O)cc1OS(=O)(=O)CBr	810102158	CVPBNVSZOLBRFZ-UHFFFAOYSA-N	323.164	1.959	50	20	DDGD	
Cn1ncc(CCCNC(=O)[C@@H](Br)C(C)(C)C)n1	817990372	ONLFHEIXEQCPJH-SNVBAGLBSA-N	317.231	1.674	50	20	DDGD	
Cn1nnc2cc(C(=O)NNc3cccc(Cl)n3)cnc21	817010071	KUIUHGGKWYKCBE-UHFFFAOYSA-N	303.713	1.169	50	20	DDGD	
CCC(=NNC(=O)C(=O)Nc1ccccn1)c1ccc(F)cn1	814869504	LTSUJUGKVJOTQH-UHFFFAOYSA-N	315.308	1.485	50	20	DDGD	
CN(C)CC(=O)NN=C1CCc2sc(Br)cc21	814832500	QALGKRVBCQNOBY-UHFFFAOYSA-N	316.224	1.839	50	20	DDGD	
C[C@H](C(=O)NNc1cc(Cl)nc(Cl)c1)S(C)(=O)=O	819741333	KWGQPCSGWZNQBH-RXMQYKEDSA-N	312.178	1.265	50	20	DDGD	
O=C(NCCOCC(F)(F)F)NNc1cccc(Cl)n1	814280744	KRCNVSCRTUYWIS-UHFFFAOYSA-N	312.679	1.940	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)Cn2cc(Cl)cn2)cc1	813576305	OWRYNIUJWKBNTE-UHFFFAOYSA-N	323.740	1.398	50	20	DDGD	
O=C(CCc1cncs1)NNc1ccc(-n2ccnc2)nn1	816660246	WHPFQTSAAXXKAS-UHFFFAOYSA-N	315.362	1.195	50	20	DDGD	
CC(C)COc1ccccc1C(=O)NNC(=O)c1ccnnc1	817694334	YTUSGMRCFQTTGM-UHFFFAOYSA-N	314.345	1.586	50	20	DDGD	
Cc1cc(Cl)cc2c1OCC2=NNC(=O)C(=O)N1CCCC1	814824312	RDPYUMGTXPJRMY-UHFFFAOYSA-N	321.764	1.484	50	20	DDGD	
CSCCNC(=O)NNC(=O)Cc1ccc(Cl)cc1	726279153	PXRWHPHILAOOOB-UHFFFAOYSA-N	301.799	1.576	50	20	DDGD	
C[C@@H]1CCC[C@H](CC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)C1	728161692	LWAWHAMPIPTTIR-RDBSUJKOSA-N	316.467	1.695	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@]2(C#N)CC23CCCC3)c1	823099950	MJGZZWNIMYCPMJ-QGZVFWFLSA-N	308.341	1.793	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCO1	824868644	WPXZPSBNZKOYOR-MWLCHTKSSA-N	302.338	1.125	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@@H](CO)Cc2ccccc2)cn1	491079508	AOYYJLURJJXEMS-SOWDNDCTSA-N	324.384	1.294	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)OC[C@H]2CNC(=O)O2)cc1	496273519	JVFIHWFUYWZMRN-WEKMIXOTSA-N	316.313	1.644	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cnc(O)c(C(F)(F)F)c1	820758069	QGMJQUFIPLFCGR-UHFFFAOYSA-N	303.240	1.367	50	20	DDGD	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)NN(C)[C@H](C)CO	823922167	IIGDLGDCKKPOJT-LLVKDONJSA-N	318.373	1.830	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1	728190850	OOOVSKJRYQTJBU-CQSZACIVSA-N	315.377	1.267	50	20	DDGD	
CCCN(NC(=O)c1c[nH]nc1[N+](=O)[O-])C(=O)OC(C)(C)C	496291157	ILXYVMAFPDDUCR-UHFFFAOYSA-N	313.314	1.610	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)/C(C#N)=C/c2cnn(C)c2)C12CCC2	491046900	HTRQDUOLYUBSPF-GEJCVMBQSA-N	314.389	1.791	50	20	DDGD	
CO[C@@H]1COCC[C@H]1CNC(=O)/C(C#N)=C/c1ccc(O)cc1	491012853	SEJNMCFUUFXEFO-SEPPTKIGSA-N	316.357	1.467	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1	728171978	NXKJUTJBAJKSQB-OAHLLOKOSA-N	314.389	1.721	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cccc2cccnc12	728852549	FVFMVFBGZOAIGP-UHFFFAOYSA-N	306.325	1.634	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)NC2CCCCC2)c1C(F)F	727364351	UCBNISMFBAWZCX-UHFFFAOYSA-N	315.324	1.634	50	20	DDGD	
N#CCCCCNC(=O)NNC(=O)c1cc2c(s1)CCC2	728958201	WKRRDLNWYDDGPZ-UHFFFAOYSA-N	306.391	1.875	50	20	DDGD	
N#C/C(=C\c1cc(O)ccc1[N+](=O)[O-])C(=O)N=c1cc[nH]cc1	490810622	AUYKPHZCHITABT-YRNVUSSQSA-N	310.269	1.663	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CC(OC)C2)c1C	490663594	KJJYDLRJFYZTEE-NVNXTCNLSA-N	317.389	1.516	50	20	DDGD	
CCNC(=O)NNC(=O)CNc1cc(Cl)ccc1OC	727102650	GDWIMMXTUKTCFW-UHFFFAOYSA-N	300.746	1.111	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(-c2cnn(C)c2)ccc1F	823874242	PCGPWOMCINEXBR-UHFFFAOYSA-N	306.341	1.185	50	20	DDGD	
N#CC1=CCN(C(=O)C2=NN(c3ccccc3)[C@H](C(=O)O)C2)CC1	821320085	JFAKRNCCSAGRPV-HNNXBMFYSA-N	324.340	1.388	50	20	DDGD	
Cc1ccc([C@H]2CCCN2C(=O)c2cccc(B(O)O)c2)cc1	584926834	DAYKLDWUEIXHRY-QGZVFWFLSA-N	309.174	1.652	50	20	DDGD	
CCN(CC)C(=O)c1ccc(C(=O)NNC(=O)C2CC2)cc1	729296811	HTUUCDXTNVUTEE-UHFFFAOYSA-N	303.362	1.340	50	20	DDGD	
Cc1ccc(C2(C(=O)NN(C)[C@@H](C)CO)CCOCC2)cc1	823959741	OSEMJMIMFGOLFR-AWEZNQCLSA-N	306.406	1.387	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NN=C1CCn2ccnc21	496996672	IAKUXIQFTALIRZ-UHFFFAOYSA-N	321.381	1.412	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccccc1	826445703	GHCRRXVQCCIVFW-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCc2nccs2)cc(C#N)n1C	490609831	BHPDGBSWJXMBTJ-XGICHPGQSA-N	311.370	1.885	50	20	DDGD	
CC1=NO[C@](C)(C(=O)NNC(=O)C(C)(C)c2ccccc2)C1	903234779	RDLDEPBNMLTPLS-INIZCTEOSA-N	303.362	1.667	50	20	DDGD	
O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)CCCCl	739561099	VUXUFIYMAOWXOJ-DCAQKATOSA-N	309.815	1.663	50	20	DDGD	
Cc1cc([C@@H](C)NCc2ccccc2B(O)O)cc(C)c1F	585028784	NBIOCYAOZZQMRD-CYBMUJFWSA-N	301.170	1.973	50	20	DDGD	
COc1cc(C=NNC(=O)c2c[nH]nc2C)c([N+](=O)[O-])cc1O	735410840	ZMBGWGMPIXCIMB-UHFFFAOYSA-N	319.277	1.104	50	20	DDGD	
O=C(NN=C(C[C@@H]1CCCO1)c1ccc(F)cc1)c1ncon1	901287690	XNYMYFBVVJELOT-LBPRGKRZSA-N	318.308	1.912	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)nc(N)n1	828367187	JHQASMZQEQPHMP-NEPJUHHUSA-N	301.325	1.753	50	20	DDGD	
O=C(/C=C\[C@@H]1CCOC1)NNC(=O)c1cc2ccccc2o1	493129016	UYBZHGRPYQOICN-ISALQUGTSA-N	300.314	1.787	50	20	DDGD	
C[C@@H]1CCC[C@H]1CC(=O)NNC(=O)CNC(=O)OC(C)(C)C	495463591	LXOWKZLDPIBVPC-MNOVXSKESA-N	313.398	1.485	50	20	DDGD	
CCOCC(=O)NN=C1CCN(C(=O)OC(C)(C)C)C[C@H]1C	496375509	OSKOOJSJTVYFOZ-LLVKDONJSA-N	313.398	1.772	50	20	DDGD	
O=C(NN=Cc1cccc(O)c1)c1cccc(-c2nn[nH]n2)c1	738129265	RZUYMSNJPLPAEU-UHFFFAOYSA-N	308.301	1.336	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCOC3(CCCC3)C2)cn1	491045027	DMZCIFJUMZVBGV-RIYZIHGNSA-N	300.362	1.499	50	20	DDGD	
C[C@@]1(C(=O)N2CC(=O)N(CC3CC3)C2)C[C@@H]1Br	907846936	DWUMRHAOKZLMDL-JOYOIKCWSA-N	301.184	1.198	50	20	DDGD	
CCCn1cc(C(=O)NNc2ccc(F)c(C(=O)OC)c2)cn1	837037143	QAELUOYLPBNRCR-UHFFFAOYSA-N	320.324	1.976	50	20	DDGD	
O=C(NCC1CCC(F)(F)CC1)c1ccc(B(O)O)c(F)c1	584986471	FCWPEYZNGSPUQX-UHFFFAOYSA-N	315.100	1.061	50	20	DDGD	
COc1cccc(C=NNC(=O)c2ncon2)c1OC(C)C	901286424	QYRBYADNDPSDQG-UHFFFAOYSA-N	304.306	1.629	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cnn(C)c2)n(C(C)(C)C)n1	735509776	NHWIKJOEOYPUDE-UHFFFAOYSA-N	319.369	1.147	50	20	DDGD	
C[C@H](C#N)C(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1	735836492	HQLNTKCEEAWXAZ-VXGBXAGGSA-N	311.341	1.914	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N[C@@](C)(CO)c1ccccc1	732202312	MJBBMPPIWNVOIP-GUYCJALGSA-N	321.421	1.066	50	20	DDGD	
C=C(C)CN1CCC(NC(=O)NNc2ccc(F)cn2)CC1	731363064	SMDWMYFORMJTIL-UHFFFAOYSA-N	307.373	1.887	50	20	DDGD	
OB(O)c1ccc(CNCCCCc2ccc(Cl)s2)o1	585042167	KEJZGOYKMUCYRR-UHFFFAOYSA-N	313.615	1.787	50	20	DDGD	
CC(C)c1ccc(NNC(=O)NCCn2cnc(C#N)n2)cc1	838590332	ZOSVNJISGDKMGD-UHFFFAOYSA-N	313.365	1.599	50	20	DDGD	
COC(=O)c1n[nH]c2c1CN(C[C@@H](C)CBr)CC2	831997379	CPPMKSMQASBYFE-QMMMGPOBSA-N	316.199	1.585	50	20	DDGD	
CC[C@](C)(CNC(=O)NNC(=O)Cc1ccc(F)cc1)OC	836578121	NIZPFCFSLSKPOO-OAHLLOKOSA-N	311.357	1.514	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H]2CCC[C@H](C(=O)O)C2)n1	833000833	PSNDQIKRUQYZJO-IUCAKERBSA-N	312.757	1.773	50	20	DDGD	
CSc1nc(C)c(CCC(=O)NN(C)C[C@H](C)O)c(C)n1	910176844	FDDPIFNNEOMSPN-VIFPVBQESA-N	312.439	1.092	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1ccc(C)c([N+](=O)[O-])c1	916359327	VMFFVTRJFDNRSE-UHFFFAOYSA-N	318.333	1.366	50	20	DDGD	
COCCN(C)NC(=O)c1cnn(-c2ccccc2Cl)c1	837623632	QPSBHFMJDBIXLY-UHFFFAOYSA-N	308.769	1.749	50	20	DDGD	
COc1ccc(C2(NS(=O)(=O)CCl)CCOCC2)cc1	830563748	LXWVAWMXKBDETF-UHFFFAOYSA-N	319.810	1.817	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O	839467872	UUYSBHKBGSTPGR-NSHDSACASA-N	323.780	1.360	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	749866167	IOCFPNOHPUSKSM-NSHDSACASA-N	317.320	1.758	50	20	DDGD	
CCN(CC)CCC(=O)NNC(=S)NCCc1ccccc1	916126798	KMOQJPTVXWBDQX-UHFFFAOYSA-N	322.478	1.456	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1cnn(-c2ccccn2)c1C	748250597	OLYBQBVVYZLVGN-UHFFFAOYSA-N	321.344	1.520	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NC[C@@H]2CCCCN2)ccc1F	841922812	RTLAVUQJGXZISD-NSHDSACASA-N	324.356	1.381	50	20	DDGD	
CCCC[C@@H](CC)CNC(=S)NNC(=O)N1CCOCC1	745730526	UUSOVPCOSPLBFV-GFCCVEGCSA-N	316.471	1.624	50	20	DDGD	
COC(=O)[C@H](C)CNS(=O)(=O)c1ccc(CCl)cc1	914255252	ZFRCXFPMKYDIEN-SECBINFHSA-N	305.783	1.513	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)[C@H](C)CN1CCCCCC1	749759924	AWXLYUFPCBUQTM-OLZOCXBDSA-N	314.499	1.792	50	20	DDGD	
CCn1ncc(C=NNC(=O)C(=O)Nc2ccc(C)c(C)c2)n1	841614166	LOGZZTQPZNYIMB-UHFFFAOYSA-N	314.349	1.004	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cc1ccc2c(c1)CCC2	843648368	QDLVHHHLEXTFCK-XHDPSFHLSA-N	302.374	1.290	50	20	DDGD	
NC[C@@H]1CC[C@@H](NC(=O)NNc2ncnc3ccsc23)C1	842011023	PRGSZADJOHLMGB-RKDXNWHRSA-N	306.395	1.445	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1(c2ccccc2)CCC1	843641723	HLQFDHSSSJUFHS-TZMCWYRMSA-N	302.374	1.681	50	20	DDGD	
CC(C)c1ccc([C@@H](N)CNC(=O)NNc2ncccn2)cc1	841937216	UQHNXESXQBQZLS-AWEZNQCLSA-N	314.393	1.926	50	20	DDGD	
Cc1cnn(C)c1C(=O)Nc1cccc(NC(=O)NN(C)C)c1	843871272	HPBNQDVLPFWGKA-UHFFFAOYSA-N	316.365	1.579	50	20	DDGD	
CCN1C[C@H](CNC(=O)[C@@]2(C)C[C@@H]2Br)CC1=O	911892111	ZBONTXJZXOLSTB-AUTRQRHGSA-N	303.200	1.145	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1ccc(Cl)cc1OC	844250350	RAYGYDJZVNXILP-UHFFFAOYSA-N	308.743	1.288	50	20	DDGD	
CS[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	845334299	RJUIFVVBMIRDQV-WRWGMCAJSA-N	315.439	1.416	50	20	DDGD	
C[C@H](CC(=O)c1ccccc1F)C(=O)NNC(=O)c1ccc[nH]1	742490397	WGOGTVHEERHLJY-SNVBAGLBSA-N	317.320	1.824	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccccc1OCC(F)F	841144968	DDMYERGJKARMER-UHFFFAOYSA-N	316.308	1.222	50	20	DDGD	
CCn1ncnc1C=NNC(=O)COc1ccc(C)c(C)c1	848400657	MMODIVBUOKVIPL-UHFFFAOYSA-N	301.350	1.444	50	20	DDGD	
COc1ccc(NC(=O)NN=C2C[C@H](C)n3ncnc32)cc1	841639682	GCKDXZATHACEIU-VIFPVBQESA-N	300.322	1.777	50	20	DDGD	
Cn1cccc1C(=O)NN=C1CCN(Cc2ccccc2)C1=O	743434415	WXEPFIIETXRQCI-UHFFFAOYSA-N	310.357	1.543	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(F)cc2)[C@@H](C)[C@H]1C	842167887	XRBUYNSINQOMCU-WOPDTQHZSA-N	307.369	1.563	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H](C)Cc2cnc[nH]2)cc1F	848209424	KUHJJLIHQPZTSS-VIFPVBQESA-N	320.324	1.657	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(Cl)c(F)c1	843661976	PBWLYNCALXSNEV-CBAPKCEASA-N	300.717	1.665	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNc1ncnc(Cl)c1C(C)C	840549085	WPWLUQLEWHRXPM-QMMMGPOBSA-N	313.789	1.611	50	20	DDGD	
COc1cccc(C(C)=NNC(=O)N2CCN(C)CC2)c1O	844592885	KDWOMHASPVLCPW-UHFFFAOYSA-N	306.366	1.082	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@@H]2CCC(=O)C2)c1C	843755122	AOLFZSKJBWVJEG-QWHCGFSZSA-N	318.373	1.587	50	20	DDGD	
CC1(C)OC[C@H](CNC(=O)NNc2c(F)cc(F)cc2F)O1	921895451	GEKNEHKNYAHVPN-QMMMGPOBSA-N	319.283	1.882	50	20	DDGD	
CCc1nn(C)c(CC)c1CNC(=O)NNC(=O)C1CCC1	754876292	BVWQZDKSDLXSEY-UHFFFAOYSA-N	307.398	1.175	50	20	DDGD	
COC(=O)N1CCC(C(=O)NNC(=O)CC2CCCC2)CC1	857089684	ASZDMDQSVBWKSD-UHFFFAOYSA-N	311.382	1.193	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1	854925225	AGTABCDYLSJWEO-SECBINFHSA-N	315.826	1.883	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H](C)Oc1cccnc1)C1CC1	751618809	PXPXJTOLBXEZNL-VHSXEESVSA-N	308.407	1.143	50	20	DDGD	
CCN(CC)c1ccc(C(=O)NNC(=O)c2cccnn2)cc1	858121709	FQGNDRGGKRWQLD-UHFFFAOYSA-N	313.361	1.398	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)OCC(F)(F)F)CCC1	856021531	IXHYOUOUBKXFMK-UHFFFAOYSA-N	312.244	1.040	50	20	DDGD	
CNC(=O)C[C@@H](C)NC(=O)NNc1c(F)cc(F)cc1F	922746281	DVLSNXFWTGLIHW-ZCFIWIBFSA-N	304.272	1.255	50	20	DDGD	
CCOC(=O)Nc1ccc(C(=O)NNc2ccncn2)cc1	857520089	MOFTXQKKIIWSHT-UHFFFAOYSA-N	301.306	1.802	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CCc2ccon2)n1	857153304	WVRXWECDYDNBAI-UHFFFAOYSA-N	304.354	1.387	50	20	DDGD	
CN(Cc1ncc(Cl)n1C)C(=O)NNC(=O)C1CCCC1	753338083	CBQRYGZITCKKHI-UHFFFAOYSA-N	313.789	1.436	50	20	DDGD	
CCCCCCN(C)CC(=O)NNC(=S)N[C@H](C)C1CC1	855100989	MXHWJBBGRDAKAU-GFCCVEGCSA-N	314.499	1.792	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H]1CCCN1C1CCCC1)C1CC1	855098478	IBLMDEWJDJXIAP-SMDDNHRTSA-N	324.494	1.687	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1sccc1S(N)(=O)=O	854478784	KICGJJUEEUKLER-UHFFFAOYSA-N	317.219	1.271	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CCC3(CCOCC3)C2)c1	858705939	JMENMNWQJIZQHZ-UHFFFAOYSA-N	323.418	1.913	50	20	DDGD	
C[C@](O)(C(=O)NNc1cc(C#N)ccc1Br)C1CC1	855617164	DIEZMPIRRIVMLU-CYBMUJFWSA-N	324.178	1.925	50	20	DDGD	
CCO[C@H](CC(=O)NNc1cc(Cl)nc(N)n1)C(C)C	753453780	JURNLJZRSYHHHC-MRVPVSSYSA-N	301.778	1.607	50	20	DDGD	
C[C@H]1c2c(F)cccc2CCN1C(=O)NNC(=O)c1cn[nH]c1	858703892	AKAZAGLMSJRILU-VIFPVBQESA-N	317.324	1.523	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1ccc(C(N)=O)cc1	920373254	BJCZYPMLNICEKE-UHFFFAOYSA-N	311.341	1.487	50	20	DDGD	
COc1ccc2c(c1)CC[C@H](NC(=O)NNC(=O)C1CCC1)C2	753281058	AAURHDMGYZRNID-AWEZNQCLSA-N	317.389	1.683	50	20	DDGD	
CCc1cc(NC(=O)NNC(=O)c2ccccc2F)n(C)n1	756590458	CHYDPJOFERXXAT-UHFFFAOYSA-N	305.313	1.588	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NN=C1COCC1(C)C	853373475	DLQISMSVBKIYLE-DGCLKSJQSA-N	320.393	1.416	50	20	DDGD	
CCn1cnc(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)c1	854378674	YHDBTFULYSMRAD-UHFFFAOYSA-N	316.365	1.436	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC[C@H](C2CCC2)CC1)C(=O)NC1CC1	854291156	QECNPPRPTFLEEG-HAQNSBGRSA-N	307.394	1.019	50	20	DDGD	
COCCOCCCCNC(=O)NNc1ccc(Cl)cn1	852033331	LKCSTMHALAYUNQ-UHFFFAOYSA-N	316.789	1.804	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1cnc(C)s1	853388986	SMEHWKLCZXPPSK-NEPJUHHUSA-N	308.407	1.155	50	20	DDGD	
CCCn1nccc1C(=O)NNC(=O)Cc1ccccc1OC	854510694	RIMDAKROOOGEPL-UHFFFAOYSA-N	316.361	1.305	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2csc3cncn23)n1	753454431	SNLNXPYONKIALU-UHFFFAOYSA-N	309.742	1.178	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC[C@@H]1c1ccc(F)cc1	852467114	FPCSFYVIZMZXPT-CYBMUJFWSA-N	307.369	1.766	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc(OC)cc(OC)c2)O1	756900261	WMGDGRUTTSQQFD-FZMZJTMJSA-N	322.361	1.422	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=CC[C@H](C)c1ccccc1	755699429	RBAKSEOPCFIHKV-RYUDHWBXSA-N	311.407	1.220	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)ncn1	762870393	FOFJTSXJDJJFTF-SNVBAGLBSA-N	301.306	1.940	50	20	DDGD	
CNC(=O)[C@H]1CCCN(C(=O)[C@H](Br)C(C)(C)C)C1	768076941	FEGDHUQWBLTZFI-UWVGGRQHSA-N	319.243	1.781	50	20	DDGD	
CCc1nc(C)c(C(=O)NNCC(F)(F)C(F)(F)F)o1	863100448	YTWCADMOTFQJOL-UHFFFAOYSA-N	301.215	1.977	50	20	DDGD	
C[C@H](CBr)CN1CCCC[C@@H]1CS(N)(=O)=O	931229979	GZKPGWPRFLGROO-NXEZZACHSA-N	313.261	1.160	50	20	DDGD	
C=CCCCCCCCNC(=O)c1cc(B(O)O)ccc1F	863883267	UNNQWOOSDYOXKJ-UHFFFAOYSA-N	307.174	1.762	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)NC2CCCC2)c(C)c1	930966795	YTKKZDVQOQYDJY-UHFFFAOYSA-N	305.378	1.819	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1cnn(CC2CC2)c1	865635008	IRQYKGCSAIPAAM-UHFFFAOYSA-N	316.336	1.436	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)[C@@H](OC1CCCC1)c1ccccc1	768246017	HZUTZVJBCFHBSF-AWEZNQCLSA-N	320.389	1.605	50	20	DDGD	
CC[C@@](C)(NC(=O)NNC(=O)[C@@H]1CCCCO1)C(F)(F)F	933521366	ZECHACUDCOQJAZ-GZMMTYOYSA-N	311.304	1.617	50	20	DDGD	
CC(CCCCO)=NNC(=O)CSc1nc(C)cc(C)n1	766683668	ZUGLZWFKKDYHMF-UHFFFAOYSA-N	310.423	1.840	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1Cc2ccccc2[C@@H](C(=O)OC)C1	863571019	OUMLMKJARFMJKH-FQNOHDAGSA-N	314.341	1.729	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)C(=O)N2CCC(C)CC2)c1	862476493	BBXOJGNUBNWGOG-UHFFFAOYSA-N	309.391	1.076	50	20	DDGD	
Cc1nc2ccccc2c(C)c1CC(=O)N1CC[C@H](B(O)O)C1	864231716	QXKHENCEKCRWTB-ZDUSSCGKSA-N	312.178	1.469	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@H]2C=NNC(=O)c2cn[nH]c2)cn1	863152354	PWCHHQUAVFUDKP-GXFFZTMASA-N	302.338	1.120	50	20	DDGD	
CC1(CCNC(=O)NNc2cccc([N+](=O)[O-])c2)OCCO1	760159802	TUIHRNJYQLPDMJ-UHFFFAOYSA-N	310.310	1.374	50	20	DDGD	
COCc1cccc(NC(=O)C(=O)NNC(=O)C2CCCC2)c1	764077942	WAAVPSRYMYKVTQ-UHFFFAOYSA-N	319.361	1.109	50	20	DDGD	
CC[C@H](CO)N(CC(=O)NNC(=O)C(C)C)Cc1ccccc1	879741818	DVXBDRNKRSGXHB-OAHLLOKOSA-N	321.421	1.063	50	20	DDGD	
CC(C)[C@@H]1CCCCC1=NNC(=O)N[C@H]1CCS(=O)(=O)C1	764680385	DHSSYPWIGKJDMW-RYUDHWBXSA-N	315.439	1.675	50	20	DDGD	
CSc1ccccc1CC(=O)NNC(=O)c1cccnc1	776967851	HUZNEHIRIILPLM-UHFFFAOYSA-N	301.371	1.807	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)Cc1cc(F)c(F)c(F)c1	777741616	WUSBFXDFHARIAY-QMMMGPOBSA-N	317.311	1.482	50	20	DDGD	
O=C(NNc1ccc(F)cn1)[C@@H]1CC(=O)N(CC(F)(F)F)C1	874651600	RNKDTNXLKLVWON-SSDOTTSWSA-N	320.246	1.075	50	20	DDGD	
CC(C)Oc1cc(NC(=O)NNc2ncc(F)cn2)ccn1	779929444	NXISKZKCYGDQNM-UHFFFAOYSA-N	306.301	1.947	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)OC[C@H](C)CBr)C1	770329235	BCOFDADEHALPMW-KOLCDFICSA-N	306.200	1.819	50	20	DDGD	
O=C(COC(=O)C[C@H]1C=CCCC1)NNC(=O)c1cccs1	778397691	CVVAACJXRGGKLC-NSHDSACASA-N	322.386	1.799	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H](C)OCC(C)C)nc1C	778424614	YDYMPALOONJXMQ-LLVKDONJSA-N	324.381	1.466	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNc1ccc(Cl)nn1	878886263	DRYXSLPDEFKMPU-JVXZTZIISA-N	306.757	1.662	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)C2CCNCC2)CCCCC1	1118028768	GURLOQFYGLYPNK-UHFFFAOYSA-N	310.442	1.677	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCC2CC=CC2)cc1	875797626	DPXSXNYCPPAKMY-UHFFFAOYSA-N	303.362	1.994	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cn(C(C)(C)C)nn1	772867069	RIYYIPWDXBFXNI-UHFFFAOYSA-N	303.370	1.703	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCCC[C@@H]1N1CCCCC1	779818381	PQIDBMLESMKDAK-ZDUSSCGKSA-N	310.398	1.243	50	20	DDGD	
CN(C)c1cnc(C(=O)NNc2ncnc3ccsc23)cn1	779675454	CUKPSRAMDHDABX-UHFFFAOYSA-N	315.362	1.304	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1ccc2c(c1)C(=O)NCC2	775333257	GHRPYYKSDXDLRU-UHFFFAOYSA-N	324.340	1.439	50	20	DDGD	
CCc1[nH]nc(C(=O)NNc2cc(Cl)ccn2)c1[N+](=O)[O-]	778516383	FYQSTRDLSJKPDF-UHFFFAOYSA-N	310.701	1.686	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1ccc(C#N)cc1F	772839188	PXLKQMGMPWTWSC-LBPRGKRZSA-N	318.352	1.116	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](C(=O)OC(C)(C)C)C(C)C	887150831	ZBVZUXFSBUHLIF-CYBMUJFWSA-N	310.394	1.551	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cccnn1)[C@H]1C[C@H]2CC[C@H]1C2	883038740	RHJVBOTZBMIZFS-NOOOWODRSA-N	303.366	1.245	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cccn1[C@H](C)C(=O)OC	774587856	GHNXFWUKZCJCLE-CYBMUJFWSA-N	322.409	1.404	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)Nc2ccccn2)nc1C	778068603	WUXXDJFTKKRBGU-UHFFFAOYSA-N	316.321	1.505	50	20	DDGD	
C[C@H]1CCCN(C[C@H](C)NC(=O)NNc2ccc(C#N)cn2)C1	887900896	XNNADDHYDTYSRC-STQMWFEESA-N	316.409	1.700	50	20	DDGD	
COc1ccc(NNC(=O)Nc2c(Cl)c(C)nn2C)nc1	888642513	NVEUHBHAQWZXAV-UHFFFAOYSA-N	310.745	1.934	50	20	DDGD	
O=C(COCCOc1ccccc1)NNc1ncncc1Cl	781832811	BSTUJNHONUJKMZ-UHFFFAOYSA-N	322.752	1.669	50	20	DDGD	
CC1CCN(C[C@@H](C)C(=O)NNC(=S)NC2(C)CC2)CC1	789176286	ZEYYRKSJZZRIES-GFCCVEGCSA-N	312.483	1.402	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@H]1CCC[C@H]1OC	1120487869	KDFQUEZTABHQMP-CMPLNLGQSA-N	323.418	1.828	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@]12CCc1ccccc12)C1CCOCC1	883064410	BENGKUIJZNQPOJ-QAPCUYQASA-N	314.385	1.465	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)c2ccccc2OC)nc1	781537591	QYUZJOGVLFKSLU-UHFFFAOYSA-N	301.302	1.425	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H]2COc3ccccc3O2)sn1	785449882	PZBOTKSLSAIVQX-CYBMUJFWSA-N	303.343	1.742	50	20	DDGD	
CCNC(=O)CC(=O)NNc1cc(C(F)(F)F)ccc1F	780996073	YGUILCDXYCCPLZ-UHFFFAOYSA-N	307.247	1.814	50	20	DDGD	
COC(=O)NNC(=O)c1cccc(CNC(=O)OC(C)(C)C)c1	787993209	OFCLGDSJCGVJCH-UHFFFAOYSA-N	323.349	1.712	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)NCCC#N)c1C	787619116	DLGDHTYYUKHNOM-GDNBJRDFSA-N	300.362	1.688	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCCc1ccccc1S(C)(=O)=O	899235204	BKXFIGFCQNBUBS-QBFSEMIESA-N	322.386	1.193	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc2c(c1)CCC(=O)N2C	785848063	ULIPQTVUMKJMQF-UHFFFAOYSA-N	319.365	1.293	50	20	DDGD	
CCc1[nH]nc(C(=O)NNc2ncncc2Cl)c1[N+](=O)[O-]	782077927	WAUUQJDCPTZSHF-UHFFFAOYSA-N	311.689	1.081	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](CC(=O)OC)c1ccncc1	787411205	CSPUVJWXBQLDBH-RSKUSDAESA-N	303.318	1.246	50	20	DDGD	
COc1ccc([C@@H](NC(C)C)C(=O)NNC(=O)C(C)C)cc1	895509835	BBULESGKQZADRA-CQSZACIVSA-N	307.394	1.538	50	20	DDGD	
CC(=O)NNC(=O)COCCc1ccc(Br)cc1	895476629	GISULWDYRGYUFD-UHFFFAOYSA-N	315.167	1.176	50	20	DDGD	
CCSc1ccccc1CC(=O)NNc1nnc(C)c(O)n1	891961164	YANNTLMBEPYGBN-UHFFFAOYSA-N	319.390	1.683	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2ccc(C#N)o2)cc1	794243074	FGXIAPBUIKCICB-UHFFFAOYSA-N	313.313	1.554	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc(F)ccc1-n1cccn1	793200528	AMAMYVZVGWUYRH-UHFFFAOYSA-N	317.324	1.365	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NN=C1CC(=O)N2CCCC[C@H]12	799480531	YPTUFDULCSBWMR-MRXNPFEDSA-N	324.384	1.898	50	20	DDGD	
O=C(NCCc1cccs1)NNS(=O)(=O)c1ccoc1	795302939	QNARRRJCDZXTJI-UHFFFAOYSA-N	315.376	1.076	50	20	DDGD	
C=C(CBr)COC(=O)C(=O)c1c(C)nn(C)c1C	795367960	CNCOTNICGJIENL-UHFFFAOYSA-N	315.167	1.714	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(C#N)o1	794181638	ZZKGGGFLPNRCKR-VIFPVBQESA-N	317.276	1.519	50	20	DDGD	
Cc1onc(-c2cccnc2)c1C(=O)NNC(=O)c1cccnc1	794606110	YMWUFSHBGOSVMB-UHFFFAOYSA-N	323.312	1.515	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C1CCC[C@@H](c2ccnn2C)C1	790297069	KKAPWZLQNZJTGQ-LLVKDONJSA-N	300.366	1.895	50	20	DDGD	
C=C(CBr)COC(=O)C1(C(=O)NC2CC2)CC1	795496282	IOURDCITDAHRER-UHFFFAOYSA-N	302.168	1.540	50	20	DDGD	
C[C@H](CNC(=O)NNc1ccccn1)NC(=O)OC(C)(C)C	792251614	JVGHJHQCXGEDTJ-SNVBAGLBSA-N	309.370	1.621	50	20	DDGD	
COc1cc(C(C)=NNC(=O)c2n[nH]c3c2CCCC3)on1	1327802639	SZAOELXFWPCFDK-UHFFFAOYSA-N	303.322	1.439	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1[N+](=O)[O-])[C@@]1(F)CCOC1	1325279162	QFCRIKSZGPJXPI-LLVKDONJSA-N	303.677	1.820	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)c2ccccc2Cl)CCC1	1320068584	LUQCATSONOIQHL-UHFFFAOYSA-N	324.764	1.834	50	20	DDGD	
C[C@H](CC(=O)OC(C)(C)C)NC(=O)/C(C#N)=C/c1cnn(C)c1	1324356307	JRBCFCNHDNWKGX-ZTFCMROMSA-N	318.377	1.564	50	20	DDGD	
Cc1ccnc(NC(=O)NNC(=O)c2n[nH]c3c2CCCC3)c1	1321034646	DNRISKOBTCWBIF-UHFFFAOYSA-N	314.349	1.458	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2nc(Cl)ccc2F)cc1	1320247890	SEIQPPAGJFKDLG-UHFFFAOYSA-N	323.711	1.958	50	20	DDGD	
COCc1nocc1C(=O)NNc1ccc2c(=O)[nH]ccc2c1	1327686060	PXESSERWYDHXAD-UHFFFAOYSA-N	314.301	1.419	50	20	DDGD	
C[C@@]1(CNC(=O)N2C[C@@H]3CCNC[C@@H]3C2)C[C@@H]1Br	1336909085	XBNKYRIRSCYMPE-NOHGZBONSA-N	316.243	1.411	50	20	DDGD	
CC(=NNC(=O)C[n+]1ccccc1)c1c(C)nc2sccn12	1337095189	KIFURUHOPZFNQM-UHFFFAOYSA-O	314.394	1.532	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccn(-c3ccncc3)n2)n1	1339679384	CTLIPMVGVYRNIV-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCc1cc(=O)cc[nH]1	1332163488	ZXCYVZZVGICXRA-UHFFFAOYSA-N	308.769	1.357	50	20	DDGD	
CN1C(=O)Cc2cc(CNC(=O)NNC(=O)C(C)(C)C)ccc21	1263145433	RYDNRYAYDDKUOY-UHFFFAOYSA-N	318.377	1.082	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@H]2CCCCCN2)C[C@H]1Br	1335611099	UPFIESCGGJQMMG-NQBHXWOUSA-N	318.259	1.991	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CO[C@H]2CCOC2)c1	1261904648	KWIBJDYMHWCBHP-LBPRGKRZSA-N	309.391	1.118	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc([S@](C)=O)cc1	1262269678	CQHZUQNYRSYILZ-NRFANRHFSA-N	307.375	1.380	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H](C)COCC2CC2)cc1	1349546198	VYYSQVGNEVATAO-NSHDSACASA-N	321.377	1.454	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1nnn(Cc2ccncc2)c1C	1347760885	ZOPHFNDIBVMCQL-RAXLEYEMSA-N	312.333	1.412	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCCCC1)c1ccnc(C)n1	1343643813	UQWMCKDUZRNIRG-GFCCVEGCSA-N	303.410	1.747	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H](O)[C@@H](C)c1ccccc1F	1348501644	LMHQRJSJBOXOLG-CABZTGNLSA-N	313.398	1.194	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1C(=O)NNc1nc(C)cc(C)n1	14513527	RTBOSLSVBDRNFB-UHFFFAOYSA-N	317.305	1.767	50	20	DDGD	
O=C(NCCO[C@H]1CCOC1)NNc1cccc(Cl)n1	1354622047	JVFMAFGGIQDNCQ-VIFPVBQESA-N	300.746	1.167	50	20	DDGD	
CC[C@@H](C(=O)O)C(=O)NNc1ccc(C(=O)OC)c(Cl)c1	1609886522	NPPLPVFEJZGCHZ-MRVPVSSYSA-N	314.725	1.681	50	20	DDGD	
CC(C)c1ccc2c(c1)[C@@H](NC(=O)NNC(=O)C(=O)O)CC2	1609720357	FRLYMRMPRCBQEZ-LBPRGKRZSA-N	305.334	1.212	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cnc3n2CCOC3)c(F)c1	1602384028	AYFREFGUUPJTQN-UHFFFAOYSA-N	320.280	1.008	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H](C(=O)O)C(C)(C)C)n1	1603739406	QDONEHILDDEJLK-NSHDSACASA-N	323.397	1.513	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNc1ccc(C(=O)O)c(F)c1	1608023095	CQOMECKEABOSEB-UHFFFAOYSA-N	307.281	1.815	50	20	DDGD	
COC1CCC(C(=O)NNc2ccc(CC(=O)O)cc2)CC1	1606730132	UYJZAGOVVSEAHB-UHFFFAOYSA-N	306.362	1.962	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21	1606860869	BUNJSEFWUZIQCL-RGCYKPLRSA-N	310.361	1.602	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)c(F)c1)c1cnc2[nH]ncc2c1	1608482253	YSWJWFIOFYRQQA-UHFFFAOYSA-N	315.264	1.552	50	20	DDGD	
O=C1CCCCC[C@@H](C(=O)NNc2ccc(C(=O)O)cn2)C1	1602643501	LRBBPPNVSSLFBQ-SNVBAGLBSA-N	305.334	1.762	50	20	DDGD	
Cc1c(NNC(=O)CCN2CCCC2=O)cccc1C(=O)O	1607553300	PONUYTBVLQAYHZ-UHFFFAOYSA-N	305.334	1.149	50	20	DDGD	
CC(=O)CCCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	1609061373	AEXOXSZXICJFEE-UHFFFAOYSA-N	323.744	1.118	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=CCC(C)(C)C(=O)O	1609665481	JPXHAZRTELPCGY-UHFFFAOYSA-N	301.343	1.114	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1cccc(C)c1	1549317042	VHVSVTVFNLNBEQ-JKSUJKDBSA-N	301.390	1.698	50	20	DDGD	
C[C@@H](N)c1nc(C(=O)NNC(=O)Nc2ccccc2)cs1	1576175559	KPLRJPCMTAKOBL-MRVPVSSYSA-N	305.363	1.629	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H](F)[C@H]2CCNC2)c1C	1579768279	UFTKASNCXGNZDW-WCQYABFASA-N	324.425	1.569	50	20	DDGD	
O=C(C1CC1)N1CC2(CCCN2C(=O)CCBr)C1	1842639644	IVMCMODJFJJIPJ-UHFFFAOYSA-N	315.211	1.385	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1ccncn1)C2	1845164900	JGVKNQHXTGFEOK-LLVKDONJSA-N	322.796	1.311	50	20	DDGD	
CC(C)C(=O)NN=Cc1cc(-c2nn[nH]n2)ccc1N(C)C	1589405604	JVWVQVUNJWKDSE-UHFFFAOYSA-N	301.354	1.039	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)C2(C)COC2)C1	1841132256	XMGACOKEBYBEJT-NSHDSACASA-N	314.813	1.244	50	20	DDGD	
N[C@@H]1CC[C@H](CNC(=O)NNc2ccc([N+](=O)[O-])cc2F)C1	1580388580	NPBLPPJDZKZGIZ-DTWKUNHWSA-N	311.317	1.487	50	20	DDGD	
C[C@@H](C(=O)NNc1ccccc1C(=O)O)N1CCSCC1	1589424697	ZSRZRGPGRBTKJK-JTQLQIEISA-N	309.391	1.265	50	20	DDGD	
Cc1nc(O)ccc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1592398678	OZGZIOFAJPGDAL-UHFFFAOYSA-N	311.305	1.033	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1csc(-c2nn[nH]n2)c1	1592821228	QZTGZHRDHXXQCM-UHFFFAOYSA-N	320.378	1.270	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1cc(-n2cccn2)ccn1	1594781287	KDKTWHRHWOMXRZ-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
CC[C@H](C)CC=NNC(=O)COc1ccccc1-c1nn[nH]n1	1590404993	SIQOZSULFXEVSB-NSHDSACASA-N	316.365	1.784	50	20	DDGD	
C[C@H](NC(=O)CC(C)(C)C)C(=O)NNc1cccc(C(=O)O)c1	1593010808	JVPPWXLNCVCHFC-JTQLQIEISA-N	321.377	1.769	50	20	DDGD	
CC[C@@H](C(=O)O)C(=O)NNC(=O)c1cc2ccccc2cc1O	1594755126	BNOZXFXNWWNNQH-LLVKDONJSA-N	316.313	1.417	50	20	DDGD	
CO[C@@H]1CCOC[C@H]1NC(=O)NNc1cccc(C(=O)O)c1C	1599322018	DEQPMPJNRMDJLZ-CHWSQXEVSA-N	323.349	1.123	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cccc(F)c2C(=O)O)n1	1776026321	QDQIGOHLQGWGRW-UHFFFAOYSA-N	318.308	1.488	50	20	DDGD	
O=C(NN=Cc1cc(Cl)ncc1C(=O)O)c1ccc(O)nc1	1776094458	UIDQJSOEUUTLED-UHFFFAOYSA-N	320.692	1.298	50	20	DDGD	
Cn1nc(C(=O)O)cc1C=NNC(=O)c1cccc2ncccc12	1776043156	QBVFTSORYKARFK-UHFFFAOYSA-N	323.312	1.430	50	20	DDGD	
COC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl	1796804716	OYSJIKJJAKIVLR-ZIQFBCGOSA-N	320.792	1.442	50	20	DDGD	
COCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Cl)C2	1795777220	NBQRIABTNBCKKW-WYFGTUCQSA-N	306.765	1.196	50	20	DDGD	
CCOc1ccccc1C(=O)NNC(=O)Cn1nc(C)cc1C	14375219	UQYNWNHYZAYWIV-UHFFFAOYSA-N	316.361	1.360	50	20	DDGD	
CCCNC(=O)NNC(=O)Cc1cccc(OC(F)(F)F)c1	163173269	VSXYHSNHRNIXSE-UHFFFAOYSA-N	319.283	1.868	50	20	DDGD	
COCCC1(C(=O)NNC(=O)CCc2ccccc2)CCC1	151995318	OFOMNWLYQURMNT-UHFFFAOYSA-N	304.390	1.973	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CN(CC)C1CC1)c1ccccc1	152443699	AXCBEAXFRMJGHL-HNNXBMFYSA-N	303.406	1.812	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)CCc2ccccc2F)[nH]n1	153306683	PEYNTUMVDTXGRI-SNVBAGLBSA-N	318.352	1.887	50	20	DDGD	
Cc1ccc2ncc(C(=O)NNc3ccc(C#N)cc3)c(=O)n2c1	155204826	YSRQCXKKZJRSFJ-UHFFFAOYSA-N	319.324	1.632	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H]2CCC[C@H]2OC)cc1	155676417	YFAVRBJTUPWTQX-ZIAGYGMSSA-N	305.378	1.761	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCC1(N2CCCCC2)CCOCC1	159495275	TUHCELBYGDJGKX-SQFISAMPSA-N	321.421	1.582	50	20	DDGD	
CC(C)(C)OC(=O)n1cc(B(O)O)c2ccc(C#N)c(Cl)c21	2332240523	AASRTIVZQCTGDA-UHFFFAOYSA-N	320.541	1.629	50	20	DDGD	
CC(C)[C@H]1CCC[C@H](NC(=O)NNC(=O)C(=O)N2CCCC2)C1	171452476	YJSLOWNNAYZLPD-STQMWFEESA-N	324.425	1.154	50	20	DDGD	
O=C(COCCc1ccccc1)NNC(=O)NCC(F)(F)F	57559270	HEYPVDNUXUFQOA-UHFFFAOYSA-N	319.283	1.138	50	20	DDGD	
CN1CCC(CCNC(=O)NNc2cncc(Cl)n2)CC1	103321308	HGOXZBWZOZMEMJ-UHFFFAOYSA-N	312.805	1.488	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1noc2c1CCCC2	56124991	CDHFWAZQKCURMM-UHFFFAOYSA-N	317.320	1.696	50	20	DDGD	
CC(C)CCOc1ccc(C(=O)NNC(=O)CN(C)C)cc1	171179292	MWUYNXHBFHOXTH-UHFFFAOYSA-N	307.394	1.434	50	20	DDGD	
C/C=C(\C)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1	176313853	LXOOGXAPFBEEMI-XCVCLJGOSA-N	309.391	1.537	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)Cc2cccnc2)s1	103426113	IWGKRJGBWLOLQJ-UHFFFAOYSA-N	311.388	1.004	50	20	DDGD	
O=C(NCCS(=O)(=O)c1ccccc1)NNc1ccccc1	114944492	UVGQFVHVXOWSHX-UHFFFAOYSA-N	319.386	1.787	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1nc2ccccc2nc1C	117550764	FMPZZKCUWNPEOY-JTQLQIEISA-N	318.402	1.976	50	20	DDGD	
CN(CC(=O)NNC(=O)C1CC1)CC12CC3CC(CC(C3)C1)C2	112976713	IZYLNXZDAWTJQB-UHFFFAOYSA-N	319.449	1.692	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1nccn1CC(F)(F)F	171536754	QHZOFRWDSHQPOU-RMKNXTFCSA-N	302.256	1.115	50	20	DDGD	
Cc1oc2nc[nH]c(=O)c2c1C(=O)NNc1ccc(F)cc1F	170898505	LTQNEVHCIXWAHN-UHFFFAOYSA-N	320.255	1.860	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CC[C@@H]2CCCCO2)cc1	110672257	WSWPSSLBRJJXHN-AWEZNQCLSA-N	301.346	1.669	50	20	DDGD	
COC[C@H](C)CNC(=O)NNC(=O)Cn1ccc2ccccc21	170923937	JIMQVKPJJGDOBY-GFCCVEGCSA-N	318.377	1.254	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C[C@H]1OCCc2ccccc21	115728895	ZUZXVEUUOOXMFB-CYBMUJFWSA-N	321.446	1.984	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNC(=O)Cc2ccc(Cl)cc2)c1	24305455	VNADCVHQGILMFM-UHFFFAOYSA-N	319.748	1.874	50	20	DDGD	
C#Cc1cccc(NC(=O)C(=O)NNc2ccc(C#N)cc2)c1	119662417	SBFIKAODOHUDHK-UHFFFAOYSA-N	304.309	1.621	50	20	DDGD	
CSc1ccsc1C(=O)NNc1ncnc2nc[nH]c12	173954560	WCUUTDJJDUITGA-UHFFFAOYSA-N	306.376	1.893	50	20	DDGD	
Cc1ncc(CNC(=O)NNC(=O)c2ccc(C#N)cc2)s1	127502623	LHUVOZPMKKHQGD-UHFFFAOYSA-N	315.358	1.467	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1nc2ccccc2[nH]1	127584983	JMAXMTNTGGIONM-CABZTGNLSA-N	317.349	1.133	50	20	DDGD	
CCC(=O)N1CCC(=NNC(=O)c2ccc(C)cc2O)CC1	64306712	OSKGOGRSCIIRAD-UHFFFAOYSA-N	303.362	1.819	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N(C)C)c(Br)c1	122036623	CKFAREIOVBYACK-UHFFFAOYSA-N	300.156	1.674	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)n(C)n1	125990457	BOULJUMTHRARHP-SNVBAGLBSA-N	320.324	1.096	50	20	DDGD	
Cc1cc(C)c(NC(=O)NNC(=O)Cc2cc[nH]n2)c(C)c1	186390488	QLVFJAUGNGIGLY-UHFFFAOYSA-N	301.350	1.730	50	20	DDGD	
COCCC[C@H](C)C(=O)NNC(=O)CCc1ccccc1O	182724945	CCUHYVLLNJHGJI-LBPRGKRZSA-N	308.378	1.535	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNC(=O)c2ccc(Cl)nc2)cn1	77249624	YEPURDAKSKUNSD-UHFFFAOYSA-N	321.768	1.761	50	20	DDGD	
COc1ccc(CCCC(=O)NNc2ncccn2)c(OC)c1	129007480	KNFSDQKNADIPKC-UHFFFAOYSA-N	316.361	1.960	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@@H](C)C1CC1	186059759	HEWILXBAPHZEKH-VIFPVBQESA-N	312.391	1.588	50	20	DDGD	
CC(C)(NS(C)(=O)=O)C(=O)NNc1ccc2ccccc2n1	181146106	VZIPRTPCRGTHII-UHFFFAOYSA-N	322.390	1.006	50	20	DDGD	
O=C(NCc1ccc(Cn2cncn2)cc1)NNc1ccccn1	79023522	BLPNIJFZBDHFHB-UHFFFAOYSA-N	323.360	1.548	50	20	DDGD	
Cc1cccc([C@@H](O)CNC(=O)NNC(=O)c2ccccc2)c1	136974289	YVMNHUGUQHPVSX-HNNXBMFYSA-N	313.357	1.673	50	20	DDGD	
CCCCC[C@@H](CC)C(=O)NNC(=O)CNC(=O)c1ccco1	180196627	INFJWYYCIZMHNI-GFCCVEGCSA-N	323.393	1.763	50	20	DDGD	
CO[C@H](C)C(=O)NNC(=O)c1cccc(Br)c1	80965560	MZJMHOAFFMDJFA-SSDOTTSWSA-N	301.140	1.245	50	20	DDGD	
O=C(NCCCOCC1CC1)NNc1nc2ccccn2n1	190584528	SDHKQKAWVWNCTG-UHFFFAOYSA-N	304.354	1.172	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)Cn1ccc2ccccc21	130068769	WNCRLYBMZTUKJT-ZDUSSCGKSA-N	305.403	1.930	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	133110214	XAIKIMRLCSWILC-MNOVXSKESA-N	312.341	1.556	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccncc1)n1cnc2ccccc21	193075362	RDHCDXMYMYANMZ-LLVKDONJSA-N	309.329	1.454	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)NCC(F)(F)F	46916734	SOKYGCBYCNMUJP-UHFFFAOYSA-N	309.219	1.097	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(NC(C)C)nc2)o1	84411098	DHWFYFGIILVKSP-UHFFFAOYSA-N	302.334	1.878	50	20	DDGD	
CC(=O)CC(C)(C)CC(=O)NNC(=O)c1cccc(N(C)C)c1	191672622	JBKRUFRAGAHMCY-UHFFFAOYSA-N	319.405	1.909	50	20	DDGD	
CN1CCO[C@@H](C(=O)NNc2ccccc2C(F)(F)F)C1	81244678	MEQUKRMLJOAYRS-LLVKDONJSA-N	303.284	1.479	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H]1CCc2[nH]ncc2C1	194608019	MVFLUKMSFOVVFV-GMMCIKNFSA-N	308.341	1.696	50	20	DDGD	
CN1CCc2ccc(NC(=O)NNc3nc4ccccn4n3)cc21	190138201	BHRJCGAWSQXLRM-UHFFFAOYSA-N	323.360	1.870	50	20	DDGD	
CC[C@H](C)CC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O	191963513	PPNUCWFYFQCJBN-NSHDSACASA-N	316.361	1.775	50	20	DDGD	
O=C(Cc1cccc(F)c1F)NNC(=S)NCC1CCC1	88278819	KISYUBQVMAIGHL-UHFFFAOYSA-N	313.373	1.803	50	20	DDGD	
O=C(NNc1cnccn1)[C@@H](O)c1cc(Cl)cc(Cl)c1	133321168	NWQPGGLYUVGZGK-NSHDSACASA-N	313.144	1.960	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2cccs2)on1)c1ccncc1	192776675	WFPJMPXGDGEOGA-UHFFFAOYSA-N	314.326	1.873	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NC[C@@H]1CCC[C@H](O)C1	194684699	YWTXVLQNBNGSMR-BXVLCZGVSA-N	300.358	1.966	50	20	DDGD	
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NNC(=O)N(C)C	194929619	OAKZYVITPLICJL-UHFFFAOYSA-N	321.768	1.750	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@@H]1CCCc2c(O)cccc21	190024609	PVXACMAZBRAKMJ-CYBMUJFWSA-N	313.357	1.612	50	20	DDGD	
O=C(C[C@H]1CCCOC1)NNC(=O)c1ccc2ccccc2n1	194966941	GJWFWEJSFOXGFI-GFCCVEGCSA-N	313.357	1.813	50	20	DDGD	
C[C@]1(C(=O)NNc2nc(-c3ccccc3)no2)CCCNC1	237584659	UMJYKIZDUDZBHQ-HNNXBMFYSA-N	301.350	1.569	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C[C@H](C)[C@H]2CCCNC2)n1	237304732	YKLQEPPSOOYBFU-JQWIXIFHSA-N	307.398	1.263	50	20	DDGD	
CN(C)C(=O)Cc1ccc(NC(=O)NNc2cnccn2)cc1	92425389	QMFFKUHJUDYUJF-UHFFFAOYSA-N	314.349	1.256	50	20	DDGD	
CC[C@H](Oc1ccccc1Cl)C(=O)NNC(=O)NC1CC1	267173825	UUTFSYDMISKELH-NSHDSACASA-N	311.769	1.990	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCCCC(F)(F)F	266984616	PBZRGGXASATXIU-UHFFFAOYSA-N	304.272	1.297	50	20	DDGD	
CSCC[C@@H](NC(N)=O)C(=O)NNc1cccc(F)c1	269580063	JAUPAAYMWXXMMA-SNVBAGLBSA-N	300.359	1.059	50	20	DDGD	
N#CCOc1ccc(CC(=O)NNC(=O)NC2CCCC2)cc1	264626918	ADYPVAZLQYOCJZ-UHFFFAOYSA-N	316.361	1.404	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@@H]2CCCCN2C2CC2)n1	277794527	MZSZLZYVEMYUAT-AWEZNQCLSA-N	318.425	1.736	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCOC[C@@]12CCOC2	367024119	OKKWVIAJJZLZOD-GWCFXTLKSA-N	320.227	1.814	50	20	DDGD	
CCc1cccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)c1	274176992	CJOUJHKCXRWBDJ-UHFFFAOYSA-N	307.350	1.743	50	20	DDGD	
CCC1(C(=O)NNC(=O)CNc2ccccc2)CCOCC1	272607707	JVYMKXSXZLKHBI-UHFFFAOYSA-N	305.378	1.453	50	20	DDGD	
CC[C@]1(C(=O)NN(C)C(N)=O)CCN(C(=O)OC(C)(C)C)C1	367952103	TZHCHHFJZVSRAU-AWEZNQCLSA-N	314.386	1.065	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNc2ccc(-n3ccnc3)nn2)O1	278630043	NAEWEWVWOGHWCS-MNOVXSKESA-N	302.338	1.063	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cncnc2)c1C	273973705	PQAAXDUUPRCKSF-GFCCVEGCSA-N	314.345	1.322	50	20	DDGD	
CC1CCN(C(=O)C(=O)NNc2cccc3cnccc23)CC1	278424833	NMAFRFJZKNUGJI-UHFFFAOYSA-N	312.373	1.936	50	20	DDGD	
CCCc1[nH]nc(C(=O)NNc2cccc(F)n2)c1[N+](=O)[O-]	286137013	BUTRJRLFBFZOIJ-UHFFFAOYSA-N	308.273	1.561	50	20	DDGD	
COCCn1cc(CNC(=O)NNc2ncccc2C)cn1	282856054	ODJWYSKDLQEFPX-UHFFFAOYSA-N	304.354	1.059	50	20	DDGD	
C[C@@H]1CCSCCN1CC(=O)NNC(=O)c1ccccc1	286071062	JQLVGUFMNGUMAM-GFCCVEGCSA-N	307.419	1.275	50	20	DDGD	
O=C(NCc1noc2c1CCCC2)NNc1cccc(F)n1	288687793	VFWWNTDDIHQLBR-UHFFFAOYSA-N	305.313	1.914	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc2ccccc2[nH]1	288051735	SFRUHRCCYGQSHG-UHFFFAOYSA-N	319.361	1.718	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)c2ccc(C)o2)c(C2CC2)n1	282843530	SROLEJGWUFHYAV-UHFFFAOYSA-N	300.318	1.639	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Nc1ccccc1)N1CCCC1=O	283787536	SOEDCNFHMYPVBV-LBPRGKRZSA-N	304.350	1.240	50	20	DDGD	
CN1CCC[C@@H]1CNC(=O)NNc1ccc2c(O)nccc2c1	287455707	IIKUGAXJNCNHEB-CYBMUJFWSA-N	315.377	1.661	50	20	DDGD	
CCN1C[C@@H](C(=O)NNc2ccc3c(O)nccc3c2)CC1=O	285777084	SICGYOCHUHIBEH-NSHDSACASA-N	314.345	1.252	50	20	DDGD	
Cn1nc(CNS(=O)(=O)CBr)cc1C1CC1	921919167	QQMFKRUSAXXOHA-UHFFFAOYSA-N	308.201	1.069	50	20	DDGD	
C[C@@H]1CN(Cc2ccccc2)C[C@H]1NS(=O)(=O)CCl	389872069	QIKZTWOBXKRIAA-DGCLKSJQSA-N	302.827	1.623	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@H]1CCC[C@@H]1CCO	298330949	ONUDQYQTLTXJNC-KCJUWKMLSA-N	300.309	1.537	50	20	DDGD	
O=C(NNc1ncccc1F)Nc1ccc(-n2nccn2)cc1	806208007	BBOBZCPFGVQSEZ-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cc(CN2CCCC2)on1	293287427	MGTFCCWMBBUUMB-UHFFFAOYSA-N	301.350	1.731	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)c1cccc(O)n1	801616342	HMNPOXJEPCVVGW-UHFFFAOYSA-N	310.313	1.203	50	20	DDGD	
O=C(NCC(Cl)Cl)[C@H]1CC[C@H](C(F)(F)F)NC1=O	808131098	PICKNLLUGAIQCE-RFZPGFLSSA-N	307.099	1.363	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)[C@@H]1CCCCO1)c1ccncc1	297180112	JPWIFIRPFUQUPB-OLZOCXBDSA-N	306.366	1.432	50	20	DDGD	
C=C(CNC(=O)NNC(=O)Cc1cccnc1)c1ccccc1	807579694	YYEPYNBXVVYMBR-UHFFFAOYSA-N	310.357	1.668	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCCc2occc2C1	808796665	AHJXAXPBWRJBHU-GFCCVEGCSA-N	307.394	1.610	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)cc1C	800323697	ZWWQZGVBCDBCOG-WOSRLPQWSA-N	320.389	1.643	50	20	DDGD	
C=C(CBr)CN1CCC[C@H](n2cc(CO)nn2)C1	292846633	BNSHFBFZIFYSGF-LBPRGKRZSA-N	315.215	1.358	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2cc(C)n[nH]2)cc1C	291134589	HBLCIXFXCVJEFP-UHFFFAOYSA-N	302.334	1.960	50	20	DDGD	
Cc1ccc(CCC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c(C)c1	294139968	GVUKHCVVHVYQLG-ZFWWWQNUSA-N	304.390	1.951	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ncsc1-c1ccccc1	294516940	DWRHDXFFJLIVDH-NSHDSACASA-N	317.370	1.750	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)C2(C#N)CCC2)c1	807951025	DSCDMWOVUKGANZ-UHFFFAOYSA-N	301.350	1.917	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc(CN2CCCC2=O)cc1	294125290	KRDLDBKSOQQMJS-UHFFFAOYSA-N	315.373	1.370	50	20	DDGD	
CC(C)c1scnc1NC(=O)NNC(=O)Cc1cc[nH]n1	808914607	LIYWWUXFROSZIQ-UHFFFAOYSA-N	308.367	1.385	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)[C@H]1Cc2ccccc21	804956147	BCUYBBIUZPFOKL-ZDUSSCGKSA-N	306.329	1.445	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)COc1cc(C)ccc1C	294387512	OLMLUDZISIEKEB-ZDUSSCGKSA-N	308.378	1.645	50	20	DDGD	
Cn1nnc(Br)c1C(=O)NNc1ccc(F)cc1	810021653	JWHJFTPEKYSCPA-UHFFFAOYSA-N	314.118	1.474	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=C1CCC[C@H](C#N)C1	814766899	SRGARABSWJMUCX-YJNKXOJESA-N	320.437	1.918	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCc2ccc(C#N)cc21	811643727	IYRGGHRTIKOWPY-LLVKDONJSA-N	301.346	1.376	50	20	DDGD	
C#CCONC(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C	812781843	INDKQWZMHAJHSW-XNTDXEJSSA-N	301.346	1.339	50	20	DDGD	
CC(=O)Nc1ccc(C)c(C(=O)NNc2ncncc2F)c1	817077229	CRBGCPPATPNBCP-UHFFFAOYSA-N	303.297	1.639	50	20	DDGD	
COc1cccc(SCC(=O)NNc2ncncc2F)c1	817083007	RWHNHUVLBKBGIO-UHFFFAOYSA-N	308.338	1.860	50	20	DDGD	
Cc1sc(C(=O)NNC(=O)C2CC2)cc1Br	819002554	KIBPNXHRAQFTPB-UHFFFAOYSA-N	303.181	1.990	50	20	DDGD	
COCc1nc(CNC(=O)NNc2cccc(F)n2)cs1	811945735	FZZJSZYJRFAWIK-UHFFFAOYSA-N	311.342	1.650	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)c2ccco2)cc1	812730777	WDALHHAKCWSRJY-UHFFFAOYSA-N	309.347	1.287	50	20	DDGD	
O=C(NN=C1CCC(c2ccc(O)cc2)CC1)C(=O)NC1CC1	814777890	IKTFPYUHIKAPBE-UHFFFAOYSA-N	315.373	1.801	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)c1ccccc1O)C(=O)O	818627175	PKSXVBBNSQQGAA-UHFFFAOYSA-N	323.349	1.227	50	20	DDGD	
Cn1nncc1NNC(=O)c1cc(C2CC2)nn1-c1ccccc1	816770758	KVAVAMSONIMCDK-UHFFFAOYSA-N	323.360	1.635	50	20	DDGD	
CCNC(=O)N1CCc2ccc(NC(=O)NNC(=O)O)cc21	829799144	FAFFDYXEZSYNNK-UHFFFAOYSA-N	307.310	1.083	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc3cccnc23)CO1	825821172	KHXFOBHOZSTWJB-JQWIXIFHSA-N	314.345	1.356	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@H]2CC2(F)F)cc1	822210395	ZWJWRFBNGPSSRI-SNVBAGLBSA-N	300.330	1.890	50	20	DDGD	
C[C@H]1CCCC[C@@H]1C(=O)OCC(=O)NNC(=O)c1cccs1	820939903	OAGNRFUTKSOHOK-QWRGUYRKSA-N	324.402	1.879	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C)[C@@H](C)c1cc(F)ccc1F	827430679	OLGMXDCQFOOOGW-JTQLQIEISA-N	313.348	1.761	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)c1cccnc1S	821882194	RPIQFWBSPFGYGB-UHFFFAOYSA-N	321.333	1.349	50	20	DDGD	
N#C/C(=C\c1ccc(F)c(-c2nn[nH]n2)c1)C(=O)N1CCCC1	826379573	VXMPQOKUTCZMNU-YRNVUSSQSA-N	312.308	1.535	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)CN1CCOC1=O	823610843	UNOSVUVRXWJKJS-UHFFFAOYSA-N	313.745	1.149	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)N[C@H]2CCC[C@@H]2C)c1	729507877	KPYOEKYQJWELMG-HZMBPMFUSA-N	321.377	1.836	50	20	DDGD	
CSSCCNC(=O)C1(O)CN(C(=O)OC(C)(C)C)C1	497049129	XHGXTOZLVSNCAB-UHFFFAOYSA-N	322.452	1.096	50	20	DDGD	
Cc1nc(NC(=O)NNc2ccc(-c3nn[nH]n3)cc2)oc1C	826327141	UMCQMMOXQTXNPH-UHFFFAOYSA-N	314.309	1.620	50	20	DDGD	
CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1	584983963	PZGLGBARBHQBMR-GFCCVEGCSA-N	307.174	1.404	50	20	DDGD	
COC(=O)N(C)NC(=O)CN[C@H](c1ccccc1)C(F)(F)F	495626039	NRBHASCWNRYGCV-LLVKDONJSA-N	319.283	1.609	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(NC(=O)O)cc2)n1	829102315	WOKFYDAVFICHTP-UHFFFAOYSA-N	317.305	1.640	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)N[C@@H]1COc2cc(F)ccc2C1	822512607	GEEXZCWSQYVZHV-LBPRGKRZSA-N	323.368	1.896	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCC[C@]2(O)C[C@H]3CC[C@H]2C3)cn1	490974747	OBRGQTSPXRTGAQ-QHHYPGAGSA-N	314.389	1.384	50	20	DDGD	
C[C@H]1[C@@H](C(=O)NNc2cnccn2)CCN1C(=O)OC(C)(C)C	492672813	LXNQQZPJLZGKER-QWRGUYRKSA-N	321.381	1.565	50	20	DDGD	
CO[C@H](C)CNC(=O)NNc1ncnc(Cl)c1C(C)C	821708854	CKKMKOBVPWTUNI-MRVPVSSYSA-N	301.778	1.914	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCOC1CCCCC1	825872378	CPGXLMQPLHPDGW-WCQYABFASA-N	313.398	1.091	50	20	DDGD	
CCOC(=O)N[C@@H](C(=O)NN(C)C(=O)OC(C)(C)C)C(C)C	496451253	BOGOJNFAXQFNAY-SNVBAGLBSA-N	317.386	1.655	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1nnc(C2CC2)n1C1CC1	490880097	ULHRIMWDHSURDF-PKNBQFBNSA-N	301.350	1.551	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1	827289634	UNJBJSXKNHEASF-AYRXBEOTSA-N	317.389	1.845	50	20	DDGD	
O=C(C=C1CCSCC1)NNc1cccc(-c2nn[nH]n2)c1	826399866	INUDMZKVLOMEHN-UHFFFAOYSA-N	316.390	1.763	50	20	DDGD	
COc1cccc([C@@H](OC)C(=O)NNC(=O)C2CCCC2)c1	821750778	QDMVTTRBPMELPK-CQSZACIVSA-N	306.362	1.720	50	20	DDGD	
CCn1cc(C=NNC(=O)[C@@H](C)Oc2ccccc2F)nn1	901146443	MZUDHFLRNRIJSM-SNVBAGLBSA-N	305.313	1.355	50	20	DDGD	
CC(C)CCOc1ccc(NC(=O)NNc2ccncn2)nn1	825525937	MCROJGHAUYWOCH-UHFFFAOYSA-N	317.353	1.840	50	20	DDGD	
C[C@H](CNCc1cccc(B(O)O)c1)Oc1ccccc1F	585026259	FHGHZWLESDABGV-GFCCVEGCSA-N	303.142	1.063	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCOCC3(CCC3)C2)cn1	491049646	NQJUBGCUAYMZCQ-AUWJEWJLSA-N	300.362	1.356	50	20	DDGD	
CCOc1ccc(NCc2ccc(B(O)O)o2)c(F)c1OCC	585035936	AKNJLNGXKCKGGZ-UHFFFAOYSA-N	323.129	1.508	50	20	DDGD	
CCC[C@H](Cc1ccccc1)NC(=O)c1ccc(B(O)O)cc1	584939343	JJDQAYAWSPYQCF-QGZVFWFLSA-N	311.190	1.508	50	20	DDGD	
O=C(NCB(O)O)c1cccc(Oc2ccc(Cl)cc2)c1	585062718	MAFGXVBHISLRBS-UHFFFAOYSA-N	305.526	1.874	50	20	DDGD	
Cc1cc(NNC(=O)Nc2cccc(-c3nn[nH]n3)c2)ncn1	737281745	XPOCASKITDPRKG-UHFFFAOYSA-N	311.309	1.114	50	20	DDGD	
C[C@H]1Oc2cc(F)ccc2[C@H]1NCc1ccc(B(O)O)cc1F	585040897	RIGTTWQMZWXNMN-ABKXIKBNSA-N	319.116	1.256	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNC(=O)Cc2ccc(F)cc2)C1	838749432	VJNAKJGCKSRSBF-BETUJISGSA-N	309.341	1.266	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H]2COc3ccccc3C2)nn1	730023212	OAQHBSWANGSKAU-GFCCVEGCSA-N	313.361	1.662	50	20	DDGD	
COCCN1C[C@@H](C(=O)NNc2ccc(C(C)C)cc2)CC1=O	837056055	RQEHGCZNJYMEIP-AWEZNQCLSA-N	319.405	1.748	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@@H](CO)C2CCCCC2)cn1	491134253	RFWFYZNWECBJKZ-LULHVWEPSA-N	302.378	1.384	50	20	DDGD	
O=C(CN1CSCCSC1)NNc1ccccc1F	901162185	GHYWHXIHZUHVSO-UHFFFAOYSA-N	301.412	1.966	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCCn2cncn2)c(F)c1	837210020	VPQKZZFRKYCLAU-UHFFFAOYSA-N	321.312	1.127	50	20	DDGD	
CCO[C@@H](CCNC(=O)NNC(=O)[C@@H]1CCCCO1)C(C)C	836337838	WURPTZSXLALGIR-STQMWFEESA-N	315.414	1.337	50	20	DDGD	
Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(B(O)O)cc1)CCC2	584993466	YSQOHYZPMRZRGD-QGZVFWFLSA-N	309.174	1.482	50	20	DDGD	
CO[C@@H](C1CC1)[C@H](C)NC(=O)NNC(=O)CCc1ccccc1	836642208	RMZXIRLGLPITCA-BLLLJJGKSA-N	319.405	1.763	50	20	DDGD	
CC(C)(C)[C@H]1OCC[C@@H]1CNCc1ccc(B(O)O)cc1F	585037250	UZCRUDDYRVTHBE-DOMZBBRYSA-N	309.190	1.046	50	20	DDGD	
O=C1Nc2cccc(Cl)c2C1=NNC(=O)[C@@H]1CCCCO1	834988324	HLXFWWQBFOLIDB-JTQLQIEISA-N	307.737	1.682	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@@H]2CCc3cc(O)ccc3C2)cn1	831181273	IUKCQDNRKSRVRR-OBHDYHNASA-N	322.368	1.706	50	20	DDGD	
O=C(NNC(=O)C1(c2ccc(F)cc2F)CCC1)c1ncon1	832826345	XHUKLJJJFNLPFU-UHFFFAOYSA-N	322.271	1.231	50	20	DDGD	
CC(C)(C)C#CC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	837603767	KFLURCKPQPKRLI-UHFFFAOYSA-N	303.318	1.618	50	20	DDGD	
CC(=NNC(=O)N(C)C)[C@@H]1CN(Cc2ccccc2)CCO1	735614367	VWZUBVRXKFUBMS-HNNXBMFYSA-N	304.394	1.535	50	20	DDGD	
CC[C@H]1c2ccsc2CCN1C(=O)c1cccc(B(O)O)c1	584929576	RYPBNOIDMQBAJC-AWEZNQCLSA-N	315.203	1.578	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CC[C@@H](c3ccccc3F)C2)cc1	585039111	NRCZZERQBUAYNU-ZBFHGGJFSA-N	313.181	1.931	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1nc(C)sc1C	730577156	ODRRZSOCWUPMMG-SNVBAGLBSA-N	315.420	1.035	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCOC[C@H]2CCCO2)cc1	838477709	HMNNYBOBIFNBFF-OAHLLOKOSA-N	323.393	1.907	50	20	DDGD	
O=C1CCC(=NNC(=O)c2cc(-c3cccs3)[nH]n2)CCN1	834963361	LGINPZCBESIWOR-UHFFFAOYSA-N	317.374	1.524	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2cc(F)ccc2Br)C1	839881412	NXYCXCMGGLMFSZ-QMMMGPOBSA-N	316.174	1.983	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cnn([C@H](C)C2CC2)c1	831700723	NSKCWRMBMOCYIT-NRUUGDAUSA-N	321.381	1.432	50	20	DDGD	
C[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)c2ccccc2O1	744400714	MWQIVAJMEUUDCS-NSHDSACASA-N	305.378	1.467	50	20	DDGD	
CCCN1CCC[C@H]1C(=O)NNc1cc(O)nc2ncccc12	913994633	OVZJTSCPYBDGNL-ZDUSSCGKSA-N	315.377	1.653	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C/C=C/c1ccc(F)cc1	747753596	JPCMISHBWFKTFM-QUIKEXICSA-N	315.304	1.964	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc(-n2ccnc2S)cc1	918203163	VYLNJZBXTGCVHN-UHFFFAOYSA-N	304.375	1.578	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@@H](C)CN2CCC(C)CC2)nn1	841614579	MWSDLHVRCXGGOJ-ZDUSSCGKSA-N	303.410	1.603	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCc1ccc(F)cc1F	843659672	IOPHSOJZSOIOCQ-BXKDBHETSA-N	312.316	1.470	50	20	DDGD	
CCC(CC)(C(=O)O)C(=O)NNc1nc(-c2ccncc2)no1	846711006	WAMDOPLULDSGSF-UHFFFAOYSA-N	319.321	1.466	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNc2ccc(F)cc2OC)CC1=O	846639692	MOCZHWWCLYLCAW-JTQLQIEISA-N	309.341	1.536	50	20	DDGD	
Cc1ccccc1OCCN(C)CC(=O)NNC(=O)C(C)(C)C	744384176	HLNAAWHETDIUAY-UHFFFAOYSA-N	321.421	1.499	50	20	DDGD	
CC1(C)C(=NNC(=O)CNC(=O)c2ccco2)[C@H]2CCCO[C@@H]21	743438694	OSONIUJCGODBSF-YGRLFVJLSA-N	319.361	1.317	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccccc2OCC(N)=O)cc1	748114928	LNLBZURAOFRCAB-UHFFFAOYSA-N	310.313	1.179	50	20	DDGD	
O=C(NCc1nnc2n1CCCC2)NNc1ccc(F)c(F)c1	914233755	YNVLTTMXWFDQCV-UHFFFAOYSA-N	322.319	1.719	50	20	DDGD	
Cc1ncc(C=NNC(=O)c2cccc(S(C)(=O)=O)c2)s1	917549167	XSFYLHHJWWZPQV-UHFFFAOYSA-N	323.399	1.619	50	20	DDGD	
CC(C)[C@@H](N)CNC(=O)NNC(=O)CCCc1ccccc1	841943954	RQVMDBSILGBMNW-AWEZNQCLSA-N	306.410	1.323	50	20	DDGD	
Cc1cc(C(=O)NNc2ccccn2)ccc1N1CCOCC1	843848969	NTCQPJXLHLFHII-UHFFFAOYSA-N	312.373	1.984	50	20	DDGD	
O=C(CCn1cccn1)NNC(=O)c1ccc2ccccc2c1	918621994	KINXJERFOMCCJP-UHFFFAOYSA-N	308.341	1.888	50	20	DDGD	
Cc1nonc1CC(=O)NNc1cc(C(F)(F)F)ccn1	846229258	JLEWIAMUIDPNHO-UHFFFAOYSA-N	301.228	1.478	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2ccc(S(N)(=O)=O)o2)c1	748787554	ZIEKIPDEGUXQHM-UHFFFAOYSA-N	313.310	1.131	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)[C@H]1CCCNCC1	848436052	DTOOBDBZMQVHCM-QMMMGPOBSA-N	314.187	1.072	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1csc2cncn12	746167377	PSEADIKRCMSJPS-UHFFFAOYSA-N	305.319	1.133	50	20	DDGD	
COCCOCC(C)=NNC(=O)CNc1cccc(OC)c1	741164091	WYAIQWOLWJEIRB-UHFFFAOYSA-N	309.366	1.262	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNC(=O)COc1cc(C)ccc1C	841376621	WGTKSIHJKIWKNQ-OAHLLOKOSA-N	322.405	1.891	50	20	DDGD	
CCn1cncc1C=NNC(=O)CNc1ccccc1OC	841602648	HNXIIQWWZJMMOG-UHFFFAOYSA-N	301.350	1.474	50	20	DDGD	
CCS[C@@H](C(=O)NNC(=O)C(=O)NC(CC)CC)C(C)C	740851194	UKTNNWDBYIONPX-LLVKDONJSA-N	317.455	1.216	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1cccc(N2CCOCC2)c1	840727822	ZXYBQXPPFYUDMX-FYWRMAATSA-N	315.373	1.583	50	20	DDGD	
Cn1cccc1CNC(=O)NNC(=O)c1c[nH]c2ccccc12	743710197	KJKKONRMVMQKDN-UHFFFAOYSA-N	311.345	1.651	50	20	DDGD	
Cn1nccc1C=NNC(=O)c1cc(Br)ccc1O	741768928	PHMYHVDUQCZVKD-UHFFFAOYSA-N	323.150	1.652	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H]2CCCN(CC)C2=O)cc1	925985051	VKTAQPGPFQPGRG-AWEZNQCLSA-N	320.393	1.722	50	20	DDGD	
CS[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)Cc1cccnc1	845332814	BUPQSSXXFJQHCB-CHWSQXEVSA-N	322.434	1.629	50	20	DDGD	
CCN1CCN(C(=O)NC[C@]2(C)C[C@@H]2Br)CC1=O	856902672	JHUCUABWTVOWPN-CABZTGNLSA-N	318.215	1.034	50	20	DDGD	
C[C@@H]1CN(C2CC2)CC1=NNC(=O)CCCNC(=O)C(C)(C)C	853407616	SFBUEJVWEREBEA-GFCCVEGCSA-N	322.453	1.515	50	20	DDGD	
Cc1ncsc1CCC(=O)NNC(=S)N[C@@H](C)C1CC1	855096547	XIIJHIKIWZRDQP-QMMMGPOBSA-N	312.464	1.678	50	20	DDGD	
COC(=O)c1cccc(NC(=O)NNC(=O)c2ccc(C)o2)c1	755842202	RXICBHZQHOTCGR-UHFFFAOYSA-N	317.301	1.841	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1cc2c(nc1O)CCC2	920856037	UFUATSYAFZANGZ-UHFFFAOYSA-N	316.317	1.013	50	20	DDGD	
O=C(CN1C[C@@H]2CCCC[C@@H]21)NNC(=O)c1cccc(Cl)c1	852219831	FFBZEQZLCPJGLJ-JSGCOSHPSA-N	321.808	1.975	50	20	DDGD	
CCOc1cc(C(=O)NC[C@@]2(C)C[C@@H]2Br)on1	857386269	SLTJTUHROKQRRO-GZMMTYOYSA-N	303.156	1.977	50	20	DDGD	
COc1ccc2c(c1)CC[C@@H](NC(=O)NNc1ncccn1)C2	753289814	YLEBHCPQXLNVBS-CYBMUJFWSA-N	313.361	1.669	50	20	DDGD	
CC1(C)C[C@H](CNC(=O)NNC(=O)c2cccc(F)n2)CCO1	852376627	KQXMGBBPTISRRP-SNVBAGLBSA-N	324.356	1.370	50	20	DDGD	
CCCCN(CCO)C(=O)NC[C@]1(C)C[C@H]1Br	856950558	CXLGPPQJVMYZAO-PWSUYJOCSA-N	307.232	1.964	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1	854927023	UPUXTEPBEJBCAK-UHFFFAOYSA-N	324.406	1.973	50	20	DDGD	
COCCOc1cccc(NC(=O)NNC(=O)CC(C)C)c1	756009423	IVHSMBVHVDLRAJ-UHFFFAOYSA-N	309.366	1.911	50	20	DDGD	
CC(C)[C@H](Cc1ccccc1)C(=O)NNC(=O)c1cc[nH]n1	855358486	LHBWIDHBHCIPBH-ZDUSSCGKSA-N	300.362	1.686	50	20	DDGD	
Cc1cccc2c1CNCCN2S(=O)(=O)CBr	850588796	OULPXRQEIVWACH-UHFFFAOYSA-N	319.224	1.587	50	20	DDGD	
CCc1cnc(NC(=O)C(=O)NNC(=O)c2ccc(C)o2)s1	756170175	UIGKSKYCBVLAIS-UHFFFAOYSA-N	322.346	1.007	50	20	DDGD	
CCOc1ncccc1C(=O)NNc1ccc(C(=O)OC)cn1	759729311	HFIPLOJXULREEG-UHFFFAOYSA-N	316.317	1.419	50	20	DDGD	
CC(CCc1cccc(C)c1)=NNC(=O)[C@H]1CCS(=O)(=O)C1	920369978	CYSUEVWTHJFBCW-HNNXBMFYSA-N	322.430	1.854	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@H]2C=NNC(=O)c2cnccn2)cn1	853286371	HZNQWLUZVFGRKU-SMDDNHRTSA-N	314.349	1.186	50	20	DDGD	
COC1CC(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)C1	859366920	SCEXZNYENBPGMY-UHFFFAOYSA-N	314.345	1.058	50	20	DDGD	
C=CCCn1cc(C=NNC(=O)c2ccnc(N(C)C)c2)nn1	853306158	QVQSRIISWYRGJW-UHFFFAOYSA-N	313.365	1.079	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccccc1S(=O)(=O)C(C)C	756526839	HITHEESYJJGGTL-UHFFFAOYSA-N	313.379	1.431	50	20	DDGD	
CCCCNC(=O)NN=Cc1ccc(OCCC(=O)O)cc1	920751367	WFECMHNFUAULHT-UHFFFAOYSA-N	307.350	1.973	50	20	DDGD	
CN(NC(=O)c1nc[nH]c1C(F)(F)F)C(=O)OC(C)(C)C	854919360	DOJUXLDXEFIXFR-UHFFFAOYSA-N	308.260	1.940	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1cnn(C2CCCC2)c1	925863736	DCKKYEWAVOSHOG-ZDUSSCGKSA-N	321.381	1.720	50	20	DDGD	
CCn1ccnc1[C@H](C)NC(=O)NNC(=O)c1cc(C)cs1	858519607	GZXHJNZPUGJHTA-JTQLQIEISA-N	321.406	1.978	50	20	DDGD	
C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)NNC(=O)[C@H]1CCC(=O)N1	858701309	VTHFNWQPAWGOBQ-IJLUTSLNSA-N	324.425	1.152	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)Cc2ccc(F)cc2)cn1	757732582	IMBUTKWTFHPOFO-UHFFFAOYSA-N	302.309	1.925	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC1	855098482	IDVAWEIRFMEFRK-ZETCQYMHSA-N	324.362	1.208	50	20	DDGD	
COc1nccnc1NNC(=O)c1cccc(C(F)(F)F)n1	857540005	PAQLKQQUERZUCB-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Cc2ccc(-n3cnnc3)cc2)n1	857436304	WIOUFGBEGBHLSF-UHFFFAOYSA-N	323.360	1.360	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cc(CC)nnc2C)cc1	758836302	FAQDLHYVUGMUGG-UHFFFAOYSA-N	312.373	1.985	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)c1ccsc1	855829018	OTTLMCSFZGWRIG-UHFFFAOYSA-N	311.407	1.452	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=S)NCC2CCC2)cc1F	855091771	DUHDVXULDHCNSF-UHFFFAOYSA-N	324.425	1.801	50	20	DDGD	
O=C(NCCOCCF)NNC(=O)Nc1ccc(Cl)cc1	852714838	NKTCERZTICFXIQ-UHFFFAOYSA-N	318.736	1.662	50	20	DDGD	
CC[C@](C)(NC(=O)NNC(=O)c1cccnc1)C(F)(F)F	933521071	DVYDYULNMQGLDU-NSHDSACASA-N	304.272	1.757	50	20	DDGD	
CN(CCCC(=O)NNc1ccccn1)C(=O)c1ccncc1	935261588	WGULKJNEXYBDKU-UHFFFAOYSA-N	313.361	1.472	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCC1=O	763257775	BIQZUHVTQPXNTF-GXSJLCMTSA-N	319.317	1.361	50	20	DDGD	
CC(C)(C)[C@@]1(CN)CCN(S(=O)(=O)CBr)C1	866814279	OKNIYEQHHZVDIG-SNVBAGLBSA-N	313.261	1.366	50	20	DDGD	
Cc1ccc(-n2cnnn2)cc1NC(=O)NCC(Cl)Cl	866109738	LJILXYOLUIWNRE-UHFFFAOYSA-N	315.164	1.896	50	20	DDGD	
CC(C)[C@H](NC=O)C(=O)NNc1ccc(C(F)(F)F)cn1	860938421	YGQKKPPBJZSWEX-JTQLQIEISA-N	304.272	1.314	50	20	DDGD	
CC(=O)N1CC[C@H](CN(C)S(=O)(=O)CC(C)(C)CCl)C1	867010223	MRMNSYHIPXZGOZ-GFCCVEGCSA-N	324.874	1.381	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)C(=O)NNCC(F)(F)C(F)(F)F	863095886	OJXVJRKNYHTGJD-RXMQYKEDSA-N	314.258	1.948	50	20	DDGD	
CC(C)Cn1cccc(C(=O)NNc2ncncc2Cl)c1=O	935543718	KMFRQIAIXXKOCD-UHFFFAOYSA-N	321.768	1.705	50	20	DDGD	
CCCNC(=O)NNC(=O)c1c(C(F)F)nc2n1CCCC2	865023132	SOFUVLLARWGJFR-UHFFFAOYSA-N	315.324	1.511	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@H]1C[C@@]12CCOC2	763733839	HAQKXRJLNRQYMR-IUODEOHRSA-N	308.765	1.457	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)C[C@H]1CCC(=O)NC1	862289218	MLRMKGBOOUFYTK-CYBMUJFWSA-N	319.361	1.203	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccccc1N1CCOCC1	762107384	VLCJENMHHDDVPA-UHFFFAOYSA-N	317.324	1.209	50	20	DDGD	
CCN1CCC[C@@H]1Cn1c(C)cc(C=NNC(=O)COC)c1C	761819537	YNFLBGKNFCKYPX-MRXNPFEDSA-N	320.437	1.686	50	20	DDGD	
N#Cc1cccc(NNC(=O)Nc2cc(C(N)=O)ccc2F)c1	769973076	DARDOHIXOIQDKI-UHFFFAOYSA-N	313.292	1.945	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H]2CCNC2=O)c1C	769964176	IISJWFYIMMQMMP-MZLJFPOFSA-N	315.373	1.854	50	20	DDGD	
CC(=NNC(=O)C[N+](C)(C)C)c1nc2ccc(Cl)cc2n1C	1116886991	VJPJUFHGNYMFFC-UHFFFAOYSA-O	322.820	1.773	50	20	DDGD	
CSSCCNC(=O)[C@@]1(C2CCCC2)CCNC1=O	861576052	TYYKILYNKJLAGX-CYBMUJFWSA-N	302.465	1.810	50	20	DDGD	
CC[C@@H](Nc1ccccc1)C(=O)NNc1nccnc1OC	764471006	NLQXMJHCUIJBMB-GFCCVEGCSA-N	301.350	1.819	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCCCn1cncn1	767030040	AYLBZAPWQFDTPF-SECBINFHSA-N	303.204	1.594	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccccc1OC(F)(F)F	767229734	UAIRWMZVAOOJHG-UHFFFAOYSA-N	317.267	1.560	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1nc2ccccc2s1)C1CC1	874914420	WIHMENRXGPHTRB-UHFFFAOYSA-N	318.402	1.542	50	20	DDGD	
CCO/C=C/C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874953007	OTEFSLWVJCZOPM-MDZDMXLPSA-N	308.407	1.620	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](C)CCc1ccc2c(c1)OCO2	875178343	QCJBYROQVWLTKE-SNVBAGLBSA-N	323.349	1.649	50	20	DDGD	
COC(OC)C(=O)NNC(=O)CCSc1ccc(F)cc1	873804425	CWGREGOUVDATSN-UHFFFAOYSA-N	316.354	1.074	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)c2cccn2C)c(C)nc1C	776749770	XLYISMGJFSUDHH-UHFFFAOYSA-N	314.345	1.314	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1CCCCO1	772016355	CABSEECYONPYHO-DLUQRMLASA-N	306.406	1.919	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H]1COc2ccccc2O1	772892162	ZANPGGDJFGWQJG-CYBMUJFWSA-N	314.345	1.883	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H](CC)OCC)c1	874949839	GBQNYSYJXMBKHL-ZDUSSCGKSA-N	305.403	1.801	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CC12CCCC2	772169370	HBJJKVLBDYOAAP-NWDGAFQWSA-N	310.394	1.692	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCc2c(C)cc(C)cc2C1	776856467	RQYMGIGQEVZUPN-CYBMUJFWSA-N	303.406	1.607	50	20	DDGD	
CC(C)c1ncc(NC(=O)C(=O)NNc2ccnc(F)c2)cn1	1116895502	FGWRRKMVKWSGHK-UHFFFAOYSA-N	318.312	1.216	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCC2([C@H](C)CCO)CCC2)n1	776333249	HHILAXBAHHBGJT-LLVKDONJSA-N	321.425	1.908	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)C(C)(C)C)c1ccc(OC)cc1	774816831	WTHHZNNJDIWVCZ-AWEZNQCLSA-N	321.421	1.929	50	20	DDGD	
CCC(=NNC(=O)C(=O)NC1CC1)c1cccc(OC)c1OC	872339123	ZQQPSWOQLVDVFX-UHFFFAOYSA-N	319.361	1.213	50	20	DDGD	
C=C(CN(C)C)C(=O)NNC(=S)Nc1cc(C)ccc1C	873756600	JVKLPANNSYSQMS-UHFFFAOYSA-N	306.435	1.739	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)[C@@H](C)N(C)C)cc2C1	873810625	WCMPILBQOPAFSC-VHSXEESVSA-N	309.435	1.584	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNC(=O)c1nc2ccccc2s1	872905711	XPLLVMNRTCEMNP-VIFPVBQESA-N	322.390	1.665	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	770856756	HBEIWASPTKOOPG-MFKMUULPSA-N	323.418	1.828	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cnc3c(c2)CCCC3)n1	775721759	IVMGCQOKFMORCU-UHFFFAOYSA-N	314.349	1.908	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(OCCC(C)C)nn1	880112140	IPSPMFCNJZWFLD-UHFFFAOYSA-N	311.386	1.516	50	20	DDGD	
C[C@H](C1CCCCC1)N(C)C(=O)NNC(=O)c1cccnn1	883852244	KAPOQLWDCLAVIC-LLVKDONJSA-N	305.382	1.732	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNc1cc(Cl)nc(C)n1	780551831	KJRAMUSIHPCNDU-UHFFFAOYSA-N	314.773	1.861	50	20	DDGD	
O=C(NNC(=O)c1ncccn1)NC1(Cc2ccccc2)CC1	883751509	NDDBOCXKIIVKMA-UHFFFAOYSA-N	311.345	1.196	50	20	DDGD	
CN1CCN(CC(=O)NNc2ccc(C(C)(C)C)cc2)CC1=O	780998413	UVRBYNPYUURONT-UHFFFAOYSA-N	318.421	1.201	50	20	DDGD	
COc1ccc(NNC(=O)Cc2cnn(-c3ccccc3)n2)nc1	781534026	TYECTYZYVXUZFY-UHFFFAOYSA-N	324.344	1.357	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2cccc(F)c2F)n1	784848592	UGHOHYWIXGNFPO-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1cccc(Nc2ncccn2)c1	780760897	BVZRXWHJINBZHW-UHFFFAOYSA-N	306.329	1.794	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cccnc1C(F)(F)F	788583769	ZAQYLYNGRGEQMX-UHFFFAOYSA-N	315.173	1.814	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@@H](F)C(C)C	784017688	REDIFJUFVSBXOX-AWEZNQCLSA-N	312.341	1.606	50	20	DDGD	
CCNc1nc(C)c(C(=O)NNC(=S)NC(C)(C)C)s1	899993160	SWLGAFDRJXDALS-UHFFFAOYSA-N	315.468	1.791	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=Cc1ccccc1C(N)=O	788705359	UUYOYLVQHURYPD-UHFFFAOYSA-N	322.324	1.186	50	20	DDGD	
CN(NC(=O)C(=O)Nc1cccc2c1OCO2)c1ccccc1	783434248	GJGJPEVCYBPFSW-UHFFFAOYSA-N	313.313	1.521	50	20	DDGD	
Cc1nn(C)c2nc(Cl)c(C=NNC(=O)C(F)F)cc12	782235176	OKGGFAVWYUSTCW-UHFFFAOYSA-N	301.684	1.645	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NNC(=O)NC1CCCCC1	899939839	CQKDBWZHUCVVFA-HZMBPMFUSA-N	319.409	1.739	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@]23CCCN(CC2)C3)cc1	895477258	FHOVRRDCSOFAKH-KRWDZBQOSA-N	317.389	1.007	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)Nc1cncc(F)c1	799236180	UDIHJYCXXMZOOM-UHFFFAOYSA-N	320.280	1.158	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@@H]1CN[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C	896119109	ASGIYVHABUQDNW-MTLGCJRHSA-N	310.829	1.545	50	20	DDGD	
Cc1nc2cc(F)c(F)cc2n1CC(=O)NNc1cccnn1	793809498	QKHFDYPCUNYOHT-UHFFFAOYSA-N	318.287	1.556	50	20	DDGD	
O=C(NCCN1CCNC1=O)NNc1c(F)cccc1Cl	891073134	NWVPCQMSSSZIAH-UHFFFAOYSA-N	315.736	1.130	50	20	DDGD	
CC[C@@H](C)n1ncc(NC(=O)NNC(=O)c2cccn2C)c1C	792483426	MWFILWQYWDVDIV-SNVBAGLBSA-N	318.381	1.968	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc(N(C)C)cc2F)n1	794090823	ZTJYRCQKSLDOQL-UHFFFAOYSA-N	316.336	1.670	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cccc(O)c1O)c1ccccc1	790669390	SMPVTMLYQKCMQO-UHFFFAOYSA-N	314.341	1.837	50	20	DDGD	
O=C(COc1cccnc1)NNc1cccc(F)c1[N+](=O)[O-]	791070698	QMEYQGVOLJOYSR-UHFFFAOYSA-N	306.253	1.651	50	20	DDGD	
Cc1ncnc(O)c1CCC(=O)NNc1nccnc1Cl	1318563213	CWONQXIYSCPPSF-UHFFFAOYSA-N	308.729	1.010	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@@H](N)CC2CCCCC2)c1Cl	1327839703	KPZAYSNIHALIMR-VIFPVBQESA-N	312.805	1.453	50	20	DDGD	
CCn1cc(C(=O)C(=O)NNc2oc(C(C)C)nc2C#N)cn1	1324483928	ZBMMYHITMHHUAM-UHFFFAOYSA-N	316.321	1.212	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NN=c2cc[nH]cc2)c(C)c1	1325985090	HTHFCBWQFYKBGX-UHFFFAOYSA-N	300.318	1.747	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)CN1C(=O)CNC1=O	1324145053	DSMLWMDHIVLJIJ-UHFFFAOYSA-N	304.350	1.113	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CCCCO1	1325448503	ZGJZPQJVNAXRCV-OAHLLOKOSA-N	306.366	1.009	50	20	DDGD	
N[C@@H](C(=O)NNc1nc(-c2cccnc2)no1)C1CCCCC1	1327195785	IZRIAQKLKMCDEC-GFCCVEGCSA-N	316.365	1.482	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@H]1CCCN(CC(F)F)C1	1332120688	MURHYEFTILVSAR-VIFPVBQESA-N	302.300	1.641	50	20	DDGD	
CC(C)[C@H]1CCC[C@H](NC(=O)NNC(=O)c2cn[nH]c2)CC1	1334930564	LUYNFLTZULGAQA-AAEUAGOBSA-N	307.398	1.959	50	20	DDGD	
Cc1cc2cc(NCc3ccc(B(O)O)cc3)ccc2n(C)c1=O	1336710636	AYKPOZVRVSMASU-UHFFFAOYSA-N	322.173	1.139	50	20	DDGD	
COc1ccc(NNC(=O)c2cn(CC3(C)COC3)nn2)cc1	1337860961	NSKFWUUDOSEPSV-UHFFFAOYSA-N	317.349	1.080	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)c1cn(C)c2ccccc12)C1CC1	1331790970	VEMASOUWUNDBDF-OAHLLOKOSA-N	315.373	1.754	50	20	DDGD	
CC(C)CSCCCNC(=O)NNC(=O)C1CCNCC1	1261376584	SONWAELEHOTWMT-UHFFFAOYSA-N	316.471	1.096	50	20	DDGD	
O=C(CN1C(=O)CCC1=O)NNc1cc(Cl)ccc1Cl	1347995112	OVUJDHKKBFDQJO-UHFFFAOYSA-N	316.144	1.586	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=Cc1cnc(C2CC2)o1	1348412617	XHKICJMKJRMWIS-UHFFFAOYSA-N	319.346	1.029	50	20	DDGD	
C[C@](CC(=O)O)(NS(=O)(=O)CCl)c1cccc(F)c1	1604089084	AFRXCILZAKKBEJ-LLVKDONJSA-N	309.746	1.631	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H](C(=O)O)C1)c1cccc2ncccc12	1601555937	MPTRZPLYCXYLRL-AOOOYVTPSA-N	313.313	1.107	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1conc1C1CC1	1606857588	OYESOCGDDXSUHK-UHFFFAOYSA-N	311.305	1.489	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(C(=O)O)c(F)c1)n1cccn1	1603237667	AVPYLQSYPJCPER-UHFFFAOYSA-N	306.297	1.599	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)N[C@H]1CC=C(C(=O)O)C1	1601561091	OIMDIPCPBVPRES-VIFPVBQESA-N	306.278	1.394	50	20	DDGD	
CC(=NNC(=O)NCC1CC1)c1ccc(OCC(=O)O)cc1	1609553050	ABBRXBXJXZUPHU-UHFFFAOYSA-N	305.334	1.583	50	20	DDGD	
Cc1nccnc1NC(=O)NNc1cccc(-c2nn[nH]n2)c1	1606098576	FAHPDYUJXROMBT-UHFFFAOYSA-N	311.309	1.114	50	20	DDGD	
O=C(NCC1CCNCC1)NNc1ccc(C(=O)O)c(F)c1	1601486923	UIPSSHVHCRDGDR-UHFFFAOYSA-N	310.329	1.150	50	20	DDGD	
Cc1ncc(CC(=O)N(c2nc(CC(=O)O)cs2)N(C)C)o1	1600736460	PIPHCNUYAVDGQQ-UHFFFAOYSA-N	324.362	1.119	50	20	DDGD	
C[C@H](/C=C\C(=O)O)NS(=O)(=O)c1ccc(CCl)cc1	1604061770	WYAAXPRTNARWAS-RMGQIXRRSA-N	303.767	1.733	50	20	DDGD	
CC1(C)OC[C@H](/C=C/C(=O)NNc2ccc(CC(=O)O)cc2)O1	1604561775	LDHSROSWMYHIJQ-GWJCSSMESA-N	320.345	1.465	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)C1(C(=O)O)CC1	1610697259	AOIDCWJDJOAQPC-UHFFFAOYSA-N	311.725	1.035	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)[C@@H]1CC[C@H]2C[C@@H](C)CN2C1	1548642476	OQPUVHYTUXODPY-JLLWLGSASA-N	322.434	1.333	50	20	DDGD	
CC[C@H](C)Oc1cc(C(=O)NNC(=O)CCCCCN)ccn1	1577002900	IFPOHESMRPMRRU-LBPRGKRZSA-N	322.409	1.539	50	20	DDGD	
O=S(=O)(c1ccc(CCl)cc1)N1CCC2(CCN2)CC1	1580870800	JGKRZBURTWEQCX-UHFFFAOYSA-N	314.838	1.942	50	20	DDGD	
CC(C)(CCl)C(=O)N1CCCC12CN(C(=O)[C@H]1C[C@@H]1F)C2	1841227686	TZIUNLGOQOVYJA-QWRGUYRKSA-N	316.804	1.813	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)c1cccc2c1OCCNC2	1580742860	HXICHAJZQQETOE-UHFFFAOYSA-N	320.299	1.599	50	20	DDGD	
C/C(=C/c1ccncc1)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1588773449	ZSSWETGSQMBIQO-KHPPLWFESA-N	321.344	1.808	50	20	DDGD	
C/C(=C/C(=O)NNc1cccc(C(=O)O)c1F)c1cnccn1	1588942333	HSFVZRULLDWXBS-CLFYSBASSA-N	316.292	1.861	50	20	DDGD	
Cc1ccn2cc(C(=O)NNc3ncccc3C(=O)O)nc2c1	1594421715	XTZVZFGUAHYRRH-UHFFFAOYSA-N	311.301	1.493	50	20	DDGD	
N#C[C@H]1C[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1592681235	MYROMKIZPCYKJT-HZGVNTEJSA-N	303.713	1.123	50	20	DDGD	
Cn1nc(C(=O)O)cc1C(=O)NNc1c(F)cccc1Cl	1594568692	OTZCXZVBRKRHOF-UHFFFAOYSA-N	312.688	1.668	50	20	DDGD	
Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNc1ccc(F)c(F)c1	1591784619	VZSCDNLFYWMMCT-UHFFFAOYSA-N	319.275	1.538	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)[C@@H]1CO[C@@H](CCC(=O)O)C1	1594405011	PQFMOWCDQLBUQP-QWRGUYRKSA-N	310.325	1.847	50	20	DDGD	
COc1c(C(=O)NNc2cccc(C(=O)O)c2C)cnn1C	1599328677	WKBCPFKHJJUETM-UHFFFAOYSA-N	304.306	1.192	50	20	DDGD	
N#Cc1ccc(Br)c(NNC(=O)CCC(=O)O)c1	1594617479	MLRLHBVZAGGUQO-UHFFFAOYSA-N	312.123	1.629	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2ccc(C(=O)O)nc2)cc1	1776023824	ZHCWCGIKCVZCKU-UHFFFAOYSA-N	313.313	1.617	50	20	DDGD	
COc1ccc(C)c(C=NNC(=O)c2ccnnc2)c1C(=O)O	1776081248	GHMFHNWMJDETMF-UHFFFAOYSA-N	314.301	1.256	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=S)Nc1ccccn1	161874008	YRYICRLRINZOTH-UHFFFAOYSA-N	300.387	1.950	50	20	DDGD	
CC(C)CCC(=O)NCC(=O)NNc1cccc([N+](=O)[O-])c1	151663898	PEIYNGUITUNOJJ-UHFFFAOYSA-N	308.338	1.590	50	20	DDGD	
CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)CCl)C1	830720733	XQZDBTPQKXRSAH-ZDUSSCGKSA-N	302.827	1.719	50	20	DDGD	
CCc1conc1C(=O)NCCSSCCC(=O)O	2088599313	DUPGRNKQJHTLFP-UHFFFAOYSA-N	304.393	1.823	50	20	DDGD	
Cc1cn(CC(=O)NNC(=O)Cc2cccnc2)c2ccccc12	103423362	DUPZQURVCQPQFA-UHFFFAOYSA-N	322.368	1.735	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCO2)c1cc(F)cc(F)c1	8271616	XAOWFIAMUMDPAK-UHFFFAOYSA-N	320.251	1.768	50	20	DDGD	
Cc1ccc(NNC(=O)NCCCc2nc(C)cs2)nn1	106269647	FEHYIPNXRWYCKM-UHFFFAOYSA-N	306.395	1.809	50	20	DDGD	
Cc1cc(C)n2nc(C)c(C(=O)NNC(=O)CC(C)(C)C)c2n1	103197430	LEXUFASXQBVBNC-UHFFFAOYSA-N	317.393	1.852	50	20	DDGD	
Cn1nccc1C(=O)NNC(=O)Cc1cccc2ccccc12	63474450	YXPQBUSYEHHCPT-UHFFFAOYSA-N	308.341	1.577	50	20	DDGD	
O=C(NNC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1ccccn1	27339621	PTZRMCQJGYOIDP-FOSCPWQOSA-N	301.346	1.238	50	20	DDGD	
COc1cc(F)cc(NNC(=O)Cn2cc([N+](=O)[O-])cn2)c1	177211587	AHYKVCDQMBIJRZ-UHFFFAOYSA-N	309.257	1.082	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cc(-c2ccco2)on1	176773787	KEZGGTYQPUUJBJ-UHFFFAOYSA-N	312.285	1.333	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccc(Cl)o1	65665068	DEUPWPFZWIZONE-UHFFFAOYSA-N	308.721	1.945	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CCc2cccs2)c1O	65113277	YGMCRNOQEXJMDW-UHFFFAOYSA-N	320.370	1.856	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](C)C(=O)NCc1ccccc1	178959904	URXSXAGORHJSRE-SEVUAYLXSA-N	301.346	1.251	50	20	DDGD	
CC(=O)N1CCC[C@@H]1C(=O)NNc1nc2ccccc2cc1C	181271067	SZBWROUTEIOUGP-OAHLLOKOSA-N	312.373	1.997	50	20	DDGD	
Cc1cc(C)c(C(=O)NNc2nc3ccccc3c(=O)n2C)[nH]1	122507274	VATWKVBOADCSTC-UHFFFAOYSA-N	311.345	1.635	50	20	DDGD	
CC(=O)N1CC(C(=O)NNc2nc(C(F)(F)F)cs2)C1	188408131	SJIPCVRQCIJPPM-UHFFFAOYSA-N	308.285	1.083	50	20	DDGD	
Cc1cnc(NC(=O)C(=O)NNc2cccc([N+](=O)[O-])c2)s1	124182010	GIUNHUTYRYCHNF-UHFFFAOYSA-N	321.318	1.442	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1ccc(-n2ccnn2)cc1	184788285	GXDKFBUNOWDRNK-UHFFFAOYSA-N	311.305	1.062	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H]1CCCCN1Cc1ccccc1	120806062	FEHWVNWAYOAHBP-AWEZNQCLSA-N	305.378	1.818	50	20	DDGD	
CCCCCOCC(=O)NNC(=O)c1cccc(N(C)C)c1	120640389	MZBLIKGBIHBGPW-UHFFFAOYSA-N	307.394	1.720	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc2ccccc2c(OC)n1	124101639	HAYAIPLDATXPDU-UHFFFAOYSA-N	316.361	1.988	50	20	DDGD	
Cc1ccc(O[C@H](C)C(=O)NNC(=O)NCc2ccco2)cc1	122848840	LQGJZWKGTBEWPM-GFCCVEGCSA-N	317.345	1.886	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2cc3ccccc3cc2O)[nH]n1	129322630	FJNKJKPHQGIHJN-UHFFFAOYSA-N	324.340	1.906	50	20	DDGD	
CC1(C)C(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1(C)C	72795318	OUPXJTRKUGXWFS-LBPRGKRZSA-N	318.373	1.656	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2cccc(C)n2)cc1	122572549	LJQBKWISOKLWHV-UHFFFAOYSA-N	314.345	1.930	50	20	DDGD	
COC(=O)NNC(=O)Cc1ccc(F)cc1Br	188023072	GVCGWRLFVMEQHH-UHFFFAOYSA-N	305.103	1.518	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1ccc(F)cn1	182591351	TXRLXSVVDYUJEU-UHFFFAOYSA-N	300.253	1.423	50	20	DDGD	
Cc1ccc2cccc(NC(=O)NNC(=O)c3cnn(C)c3)c2n1	185070139	LZDRRCXQBRTBTD-UHFFFAOYSA-N	324.344	1.743	50	20	DDGD	
CCCn1cc(NC(=O)C(=O)NNc2ccc(F)cc2)cn1	181388902	IBZSRAFYYWPLMC-UHFFFAOYSA-N	305.313	1.514	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(-c2ccncc2)on1	184363770	CXQCAUHVMBUIOL-UHFFFAOYSA-N	312.289	1.292	50	20	DDGD	
CC(=O)Nc1cccc(CNC(=O)NNC(=O)C(C)(C)C)c1	79145639	VTPKPAYXSPITCC-UHFFFAOYSA-N	306.366	1.522	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1ccc(F)c(F)c1F	182736972	VZFWGEPAMDWNQT-UHFFFAOYSA-N	310.235	1.965	50	20	DDGD	
CN(NC(=O)CCSc1nc2ccccc2s1)C(N)=O	182670221	JLQICMKCZKAVDO-UHFFFAOYSA-N	310.404	1.820	50	20	DDGD	
O=C(CCNC(=O)c1[nH]nc2ccccc12)NNc1ccncc1	180477194	ZQIOPXQDDIJIAH-UHFFFAOYSA-N	324.344	1.221	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCc1ncccc1F	132484786	NPIDEQIEMVZCSQ-UHFFFAOYSA-N	316.336	1.684	50	20	DDGD	
C[C@@H](CBr)CN1CCN(C(=O)[C@@H]2CCCO2)CC1	133596749	FTKAGIBMHHCTPG-RYUDHWBXSA-N	319.243	1.341	50	20	DDGD	
CNS(=O)(=O)c1cc(C(=O)NNc2ccccc2)ccc1F	84383197	MUMSTJFNMNEYOT-UHFFFAOYSA-N	323.349	1.491	50	20	DDGD	
COC(=O)C1(C(=O)NNc2ncc(Cl)cc2Cl)CC1	132813564	UTXACFUXKRLIIZ-UHFFFAOYSA-N	304.133	1.785	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	194935128	BPZQEOMMTSTGKN-UHFFFAOYSA-N	321.337	1.111	50	20	DDGD	
O=C(NNc1ncc(Cl)cc1Cl)c1n[nH]cc1[N+](=O)[O-]	133019071	JZMYCKRIBNPDIR-UHFFFAOYSA-N	317.092	1.777	50	20	DDGD	
CCC(=O)N1CCC[C@H](C(=O)NNc2cccnc2Cl)C1	85683895	TWZSMMXOMSFRHW-JTQLQIEISA-N	310.785	1.827	50	20	DDGD	
CCNc1nc(C(=O)NNc2nc3ccccn3n2)cs1	191788737	YRVVJTJSAHMCDS-UHFFFAOYSA-N	303.351	1.375	50	20	DDGD	
COC(=O)NNC(=O)[C@H](C)Oc1cccc(Br)c1	192844575	TVZQKZQVAXYXMB-ZETCQYMHSA-N	317.139	1.604	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(C)cc(OC)c2O)n1	266903173	ABNQKXJLHRBQCN-UHFFFAOYSA-N	318.333	1.573	50	20	DDGD	
C[C@@H](O)C[C@@H](CNC(=O)NNC(=O)C1CCC1)c1ccccc1	268313583	IEDWCRMNYXILPG-DOMZBBRYSA-N	319.405	1.672	50	20	DDGD	
CO[C@@H](C)CCNC(=O)NNC(=O)c1c[nH]c2ccccc12	263819597	XPEGKYKCSRRMPZ-JTQLQIEISA-N	304.350	1.537	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NC[C@@H](OC)C(C)C	266709772	HFHWNEFUOJERJB-CQSZACIVSA-N	323.393	1.239	50	20	DDGD	
CCN1CCOC[C@H]1C(=O)NNc1cccc(C(F)(F)F)c1	367256186	TVNYIHBCZOIXIS-LBPRGKRZSA-N	317.311	1.869	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2CC23CCOCC3)c1	365765013	NZKHUTDIXJSPRD-AWEZNQCLSA-N	317.389	1.330	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCCOc1ccc(OCC)cc1	272720748	ZZWIWSPMAZDIRS-UHFFFAOYSA-N	323.393	1.937	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)cn1	273180926	GBMGYAQPKQYHBL-SNVBAGLBSA-N	322.365	1.064	50	20	DDGD	
CC(C)[C@@]1(C)C[C@@H]1C(=O)NNc1nc(O)c2cnn(C)c2n1	274982509	MIJPQHKXADNCJS-YMTOWFKASA-N	304.354	1.194	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccc2oc(=O)ccc2c1	273488957	NQYBJQUMENNAGH-UHFFFAOYSA-N	301.302	1.746	50	20	DDGD	
CN1C(=O)Cc2cc(NC(=O)NNC(=O)CC3CC3)ccc21	278687038	IUBMCUHMAIRRCU-UHFFFAOYSA-N	302.334	1.158	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NO[C@H]2CCCCO2)c1	275141378	QBUULJSHRVKCIN-ZDUSSCGKSA-N	322.365	1.155	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cn(-c2cccc(Cl)c2)nn1	275762123	RXJDWBADBSOCSL-UHFFFAOYSA-N	321.768	1.728	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1c[nH]c2ccccc12)C(=O)OC	276711110	QVBBUAHLYNVEIM-VIFPVBQESA-N	303.318	1.128	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@@H]2CCO[C@H](C)C2)c1	271256145	LPVJVCHZUOZQHX-CHWSQXEVSA-N	321.377	1.272	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1CCCCS1	273031559	YPZHLMWIBWNUSU-ZDUSSCGKSA-N	308.403	1.671	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@@]2(C)CCO[C@H]2C2CC2)n1	375818137	VWPUJBOCJAMPMQ-XJKSGUPXSA-N	319.409	1.925	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNc1nc(-c2ccncc2)no1	370041384	FAWOQGVTKZULHC-ONGXEEELSA-N	305.338	1.636	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2COCCN2C2CCCC2)nc(C)n1	287883451	GSLMXHNRRSZWNS-AWEZNQCLSA-N	319.409	1.180	50	20	DDGD	
COC(=O)N(C)NC(=O)CCCC(=O)c1ccc(OC)cc1	286240164	GMGKZKUAAGAPSW-UHFFFAOYSA-N	308.334	1.778	50	20	DDGD	
O=C(NCCC1(O)CCC1)NNc1ccc2c(O)nccc2c1	287845234	LJZQEJGXSRHZDL-UHFFFAOYSA-N	316.361	1.872	50	20	DDGD	
COC1(C(=O)NNc2cccc(C(F)(F)F)n2)CCOCC1	287570009	KBSRFTSJNBVDLZ-UHFFFAOYSA-N	319.283	1.739	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)COC2CCC(C)CC2)n1	280118222	CMJOGQPCCKTZCB-UHFFFAOYSA-N	322.409	1.243	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1ccc2nc[nH]c2n1	286869497	DCXJGWLYXAFURU-UHFFFAOYSA-N	309.333	1.772	50	20	DDGD	
Cc1cnc(Br)c(NC(=O)NNC(=O)C2CC2)c1	291589062	XDMXOWABEKVXCP-UHFFFAOYSA-N	313.155	1.715	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1csc2c1CCCC2	295659921	VUZZSWWWOQCSJE-GFCCVEGCSA-N	308.403	1.957	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)C(=O)NC(CC)CC)[C@H]1SC	807971962	JOUOCHAXURCBPU-VXGBXAGGSA-N	315.439	1.304	50	20	DDGD	
CNC(=O)NCCC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	293005156	LJLBNKAESDIBSG-UHFFFAOYSA-N	315.717	1.010	50	20	DDGD	
Cn1nncc1CNC(=O)NNc1cc(Cl)cc(Cl)c1	807613234	XTNXMMGWAFYVII-UHFFFAOYSA-N	315.164	1.948	50	20	DDGD	
COc1cccc(SCC(=O)NNC(=O)[C@H]2CCCCO2)c1	295576360	BTEFOGIUOMVCIA-CYBMUJFWSA-N	324.402	1.504	50	20	DDGD	
CC[C@@H](C)[C@@H](CNC(=O)NNC(=O)c1ccccc1OC)OC	296652046	NMUQDJHHQDKLSW-BXUZGUMPSA-N	323.393	1.700	50	20	DDGD	
CSCc1cccnc1C(=O)NNC(=O)NCC(F)(F)F	290517843	NKOIBYIVEJFDGQ-UHFFFAOYSA-N	322.312	1.451	50	20	DDGD	
CO[C@@H](C)c1nsc(NC(=O)NNC(=O)CC(C)C)n1	809925931	RZHHNQHHCOFWGX-ZETCQYMHSA-N	301.372	1.444	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)[C@H]1CCCC12OCCO2	806858760	XOHHMPDYVTXWGX-GFCCVEGCSA-N	314.345	1.616	50	20	DDGD	
COc1ccc2c(c1)[C@H](C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)CC2	294279031	PQDZMCJXELZBKV-ZBINZKHDSA-N	318.373	1.440	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1ccc(N(C)C)c(F)c1	299413331	HXQOWBATTRRCJO-UHFFFAOYSA-N	310.373	1.768	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)[C@@H](O)C(C)C)c1	291709815	VIXGXTIRUWEZJM-NSHDSACASA-N	315.757	1.518	50	20	DDGD	
C=CCOCC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	802046342	LGPOPSIGMGCQFU-UHFFFAOYSA-N	315.276	1.643	50	20	DDGD	
CC(C)N(C)CC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802122804	BZWWWHDQYYLDMH-UHFFFAOYSA-N	307.398	1.246	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1cccc(NC(C)=O)c1)C(C)C	298043609	UFBBVAXJRRKGBJ-AWEZNQCLSA-N	308.382	1.942	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1	294448745	PWMALUYSRUXMFL-ZDUSSCGKSA-N	313.304	1.067	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2cncs2)c1	807255165	GGRDUKMZVRSFFR-UHFFFAOYSA-N	307.331	1.235	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CC2CCOCC2)cc1	802053321	OGWIAXKJJKNQEV-UHFFFAOYSA-N	307.350	1.665	50	20	DDGD	
O=C(NN=Cc1cc(Cl)c(F)cc1O)C(=O)N1CCCC1	814824712	HRTCSRRWFOFSFK-UHFFFAOYSA-N	313.716	1.257	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1snnc1C	814213209	CCPRUGULOHAJIP-UHFFFAOYSA-N	306.347	1.384	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cccc(F)c2C)n1	817512530	CYFZMCFUCVZEGT-UHFFFAOYSA-N	304.325	1.409	50	20	DDGD	
CN(CCO)c1ccc(C=NNC(=O)N=c2cc[nH]cc2)cc1	815000851	QVOZDLGCJLKECG-UHFFFAOYSA-N	313.361	1.088	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1ccc(C)c([N+](=O)[O-])c1	814956457	YJKZAIRZZFSWEA-UHFFFAOYSA-N	301.306	1.709	50	20	DDGD	
Cc1cc(CNC(=O)NNc2nc(C)cc(C)n2)cc(C)n1	817171256	SZKMDHCEOCUEMM-UHFFFAOYSA-N	300.366	1.932	50	20	DDGD	
Cc1nn(CC(C)C)c(C)c1CCC(=O)NNc1cnnn1C	816769369	FCYJTOQQSNPJDG-UHFFFAOYSA-N	319.413	1.360	50	20	DDGD	
CNC(=O)NN=C1COc2cc(F)c(Br)cc21	814814668	UOIDHUXURSWZMU-UHFFFAOYSA-N	302.103	1.614	50	20	DDGD	
COc1ccc(F)cc1C=NNC(=O)CNC(=O)c1ccco1	812226621	IHPXQCIRAZHTQO-UHFFFAOYSA-N	319.292	1.307	50	20	DDGD	
Cc1occc1C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	812731591	MOTZGEATAFOYTN-UHFFFAOYSA-N	323.374	1.595	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CCCC[C@@H]1CCCO	814854239	FRCQOKMDQYGXLN-GFCCVEGCSA-N	311.426	1.726	50	20	DDGD	
COc1cc(C(C)=NNC(=O)[C@H](C)CN2CCCCC2)on1	814763379	AEBQWYGYHQVKMR-LLVKDONJSA-N	308.382	1.645	50	20	DDGD	
Cn1nncc1NNC(=O)C1CCN(Cc2ccccc2)CC1	816770821	NCEJXXPQDKZNBE-UHFFFAOYSA-N	314.393	1.170	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)c2cccc3cccnc23)n1C	811640029	MDVANJWPPYUATM-UHFFFAOYSA-N	322.372	1.798	50	20	DDGD	
O=C(NN=Cc1c[nH]c(C(=O)O)c1)c1ccc2c(c1)OCCO2	814788777	KEXGDNXQIZSJMQ-UHFFFAOYSA-N	315.285	1.248	50	20	DDGD	
C[C@@H]1C(=NNC(=O)C(=O)N2CCCC2)CC[C@H](C(=O)O)C1(C)C	814824918	PZZDRDLGCJZKSS-GHMZBOCLSA-N	323.393	1.238	50	20	DDGD	
C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1S(=O)(=O)CCl	817144001	QJRAVTSLIFFLFG-UWVGGRQHSA-N	311.831	1.955	50	20	DDGD	
COc1ccc(NNC(=O)CNC(C)=O)c(C(F)(F)F)c1	816702449	NUUWMCMRDYMNDJ-UHFFFAOYSA-N	305.256	1.293	50	20	DDGD	
CC(C)(C)OC(=O)NN=C1CCCc2nc(O)c(C(N)=O)cc21	495805287	ULZIHZVIUYITPI-UHFFFAOYSA-N	320.349	1.451	50	20	DDGD	
Cc1cc([C@@H]2CCCN2C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)no1	827272714	BUKJXGREBAZDOX-WZRBSPASSA-N	322.365	1.286	50	20	DDGD	
Cc1c(NNC(=O)NCCOCCF)cccc1[N+](=O)[O-]	824331607	XVQGGXFAQCIOBJ-UHFFFAOYSA-N	300.290	1.515	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1C[C@H](c2ccc(F)cc2)C[C@@H]1C	827859751	MKJBYEMCKFBZEP-GXTWGEPZSA-N	321.396	1.807	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNc1oc(C(C)C)nc1C#N	491199097	TXWRLBOUIYYIDP-UHFFFAOYSA-N	309.326	1.247	50	20	DDGD	
C[C@@]1(N)CCCC[C@H]1C(=O)NNc1nc(-c2ccncc2)no1	828217565	DDZPTBFDYQZLGV-XHDPSFHLSA-N	316.365	1.482	50	20	DDGD	
O=C(NN=Cc1ccc(O)c(O)c1)c1cc(Br)c[nH]1	725838454	JCQIVKYOSPPTBM-UHFFFAOYSA-N	324.134	1.952	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H](NC(C)=O)C(C)(C)C	827840131	HXHOZQSOGNUNNS-CYBMUJFWSA-N	321.377	1.467	50	20	DDGD	
C[C@@H](CNC(=O)/C(C#N)=C/c1cnn(C)c1)CN1CCCC1	491049071	MFXVMHCCDRRSKN-FEZXJWFHSA-N	301.394	1.175	50	20	DDGD	
CC[C@H](Cc1ccccc1)NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	825890660	JNOCJTFIFFLHOC-NWANDNLSSA-N	319.405	1.763	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C2(CN(C)C)CC2)cc1	824188479	AEZWSNLQAPEDMN-UHFFFAOYSA-N	305.378	1.187	50	20	DDGD	
CC(C)(C)c1noc2ncc(C(=O)N3CC[C@@H](B(O)O)C3)cc12	585076063	KTQFELCABSKZPO-SNVBAGLBSA-N	317.154	1.209	50	20	DDGD	
C[C@@H]1C[C@@H]1[C@H](NC(=O)c1cccc(B(O)O)c1)c1ccccc1	584951438	NTTDJSRVBFCDAT-OAUYIBNBSA-N	309.174	1.494	50	20	DDGD	
CC(C)(CN1CCOCC1)C(=O)NNc1cc(Cl)ccn1	821755462	CKPQGTJMMSKBCE-UHFFFAOYSA-N	312.801	1.537	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@@H]1c1cccs1	584925303	SSNMDUFXYQYACI-CYBMUJFWSA-N	319.166	1.544	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C	823833562	DVALGEWRRUPNBN-LLVKDONJSA-N	300.786	1.761	50	20	DDGD	
Cc1cn(C)nc1C(=O)NNC(=S)NCCc1cccs1	820164841	JXBASTKRQBINFK-UHFFFAOYSA-N	323.447	1.142	50	20	DDGD	
CN1CCCC(C)(C)[C@H]1CNC(=O)/C(C#N)=C/c1cnn(C)c1	491006533	DPBJIZTXQVKKMW-UJMHRVFCSA-N	315.421	1.564	50	20	DDGD	
O=C(c1ccc(C2SCCS2)cc1)N1CC[C@@H](B(O)O)C1	585074247	LBUOVJZGVUQGLR-GFCCVEGCSA-N	323.248	1.854	50	20	DDGD	
CCOC(=O)[C@H]1CCCCN1C(=O)/C(C#N)=C\c1cnn(C)c1	491010102	LHBXOWVHDISVAH-YLHGKKIISA-N	316.361	1.271	50	20	DDGD	
CCn1cc(C=NNC(=O)CNC(=O)OC(C)(C)C)c(C)n1	901214699	FGUNYPXWSSMTNA-UHFFFAOYSA-N	309.370	1.186	50	20	DDGD	
CC[C@@H](C)C(=O)NN=C(C)c1ccc(-c2nn[nH]n2)cc1F	825051375	NWPLPPKGQSTZOD-MRVPVSSYSA-N	304.329	1.892	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(Cn3cncn3)cc2)ncn1	734255658	RZZFXRFHUWQSGU-UHFFFAOYSA-N	309.333	1.182	50	20	DDGD	
C[C@@H](CNCc1ccc(B(O)O)cc1F)Cc1cccs1	585027577	WHCVUMGNXDHLLQ-LLVKDONJSA-N	307.199	1.535	50	20	DDGD	
CC(C)(O)COc1ccc(NCc2ccccc2B(O)O)cc1	585016563	QNYDUIXVAMSHOU-UHFFFAOYSA-N	315.178	1.128	50	20	DDGD	
COCCOc1ccccc1C=NNC(=O)[C@H]1CCCCO1	834989258	QDCKCKLJJWHPCC-OAHLLOKOSA-N	306.362	1.731	50	20	DDGD	
COCCOc1ccccc1NCc1ccc(B(O)O)cc1	585013089	KLBJFJJVXPJNLH-UHFFFAOYSA-N	301.151	1.004	50	20	DDGD	
O=C1[C@H](NS(=O)(=O)CCl)CCN1c1ccc(Cl)cc1	830648196	CGSANDMMKBGTJP-SNVBAGLBSA-N	323.201	1.561	50	20	DDGD	
CN(C/C=C\C(=O)NNc1ncc(F)cc1F)CC(F)(F)F	493447756	CYKMEKMZRDZQQR-IHWYPQMZSA-N	324.253	1.853	50	20	DDGD	
CN(C)Cc1ccccc1CNC(=O)/C(C#N)=C\c1cnn(C)c1	491158157	CWPIYISOABVRMX-IUXPMGMMSA-N	323.400	1.705	50	20	DDGD	
CC(C)c1cccc(CNCc2ccc(B(O)O)cc2F)c1	585036017	CABDZRYYEJCIOH-UHFFFAOYSA-N	301.170	1.919	50	20	DDGD	
CCOCC1(C(=O)NNc2ccc(C(=O)OC)c(F)c2)CC1	837057787	IZCKESSPMMFWQE-UHFFFAOYSA-N	310.325	1.872	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@@H]1OCCc2ccccc21	733349303	XCBSZJDOWFMFGN-ZDUSSCGKSA-N	305.378	1.677	50	20	DDGD	
CSCC1CCC(NC(=O)c2ccc(B(O)O)cc2)CC1	584994640	CCDZQCJDKFZEOT-UHFFFAOYSA-N	307.224	1.018	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2CCO[C@@H](c3cccs3)C2)c1	585044210	BHPXRYMQHPSIIN-HUUCEWRRSA-N	317.219	1.438	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCSc3c(F)cccc32)o1	585017803	LFUIRLKDTUPMPJ-GFCCVEGCSA-N	307.155	1.425	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H]2CCCCN2C)c(C)c1	731865904	AROLSGKNQIAHSB-OAHLLOKOSA-N	318.421	1.347	50	20	DDGD	
CCn1cc(C=NNC(=O)[C@H](C)Oc2ccccc2F)nn1	901146441	MZUDHFLRNRIJSM-JTQLQIEISA-N	305.313	1.355	50	20	DDGD	
O=C(NNS(=O)(=O)CCc1cccc(F)c1)C1CCCC1	901851060	QSNWFPGZJDGXDD-UHFFFAOYSA-N	314.382	1.509	50	20	DDGD	
CC(C)(C)C[C@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1	585001070	ULFBXNVLHJOFBP-LLVKDONJSA-N	307.174	1.404	50	20	DDGD	
N#Cc1cnc2c(Cl)cccc2c1N1CC[C@H](B(O)O)C1	585078888	OVRKHDJHWRBOHS-JTQLQIEISA-N	301.542	1.813	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@@H]2C[C@H]3CC[C@H]2O3)c(O)c1	839550192	HEQNZNCOMOLTCT-MISXGVKJSA-N	304.346	1.419	50	20	DDGD	
CC(C)C#CC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	831478219	XNRCFGXZSVTCQC-UHFFFAOYSA-N	311.382	1.098	50	20	DDGD	
CCCc1c(NCc2ccc(B(O)O)o2)cnn1C1CCCC1	585035429	SUZLBJHWKQLYNY-UHFFFAOYSA-N	317.198	1.836	50	20	DDGD	
Cc1cnn(C)c1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	839462001	AYIQJQLUGPOBOG-UHFFFAOYSA-N	316.405	1.706	50	20	DDGD	
CC[C@H](NC(=S)NNC(=O)c1cnn(C)c1)c1cccs1	735417167	MZJDSGCGOFJVMF-JTQLQIEISA-N	323.447	1.742	50	20	DDGD	
O=C(c1c[nH]nc1-c1ccc(Cl)cc1)N1CC[C@H](B(O)O)C1	585072648	QHPOULMXKSLIOA-JTQLQIEISA-N	319.557	1.419	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N[C@@H](C1CCC1)C1CC1	836280289	VXIZAGQBOSMVCG-HNNXBMFYSA-N	302.378	1.533	50	20	DDGD	
COC1(CNC(=O)NNC(=O)Cc2ccccc2C)CCCC1	836498211	ATWFIBCQBLZRQD-UHFFFAOYSA-N	319.405	1.827	50	20	DDGD	
C[C@H](CBr)CN1CCC[C@]2(CCS(=O)(=O)C2)C1	831914990	DHGJGRKQSXQDPW-NEPJUHHUSA-N	324.284	1.918	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NN=C(C)CS(C)(=O)=O	732528653	SSGCFFPTUCBPLK-UHFFFAOYSA-N	318.782	1.499	50	20	DDGD	
COCC1(CCNC(=O)NNc2ncncc2Cl)CCC1	836477070	TZLYGAUGOTVHFX-UHFFFAOYSA-N	313.789	1.963	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=Cc1ccc(F)cc1	730585242	ALGMJDQXYODSNC-UHFFFAOYSA-N	306.322	1.303	50	20	DDGD	
C[C@@H](C(=O)O)n1cccc1C=NNC(=O)c1ccc(C#N)cc1	833406623	OSCMGTBUOOAGOL-NSHDSACASA-N	310.313	1.769	50	20	DDGD	
C=CC(C)(C)C(=O)NNc1ccccc1S(=O)(=O)N(C)C	832814936	LAGITDDEDJKKNP-UHFFFAOYSA-N	311.407	1.592	50	20	DDGD	
CC(=NNC(N)=O)c1ccc(S(=O)(=O)C2CCCC2)cc1	914690498	XFFAJFDTNMMXBR-UHFFFAOYSA-N	309.391	1.795	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN(CCc1ccccc1)C1CC1	744391888	NVSJWJVGYYFGGS-UHFFFAOYSA-N	317.433	1.887	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccc(N3CCOCC3)nc2)cc1	748101086	VVQRBPPHHSWKED-UHFFFAOYSA-N	323.356	1.547	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCCOc2ccccc21	748256811	DHSPXHGKSJVEQG-GFCCVEGCSA-N	306.362	1.731	50	20	DDGD	
CCN(CC)c1ccc(C=NNC(=O)C(=O)N2CCCC2)cc1	748136494	LJRYZLZGEOHOCT-UHFFFAOYSA-N	316.405	1.605	50	20	DDGD	
C=C(C)CNC(=S)NNC(=O)[C@H](C)CN1CCC(C)CC1	916118056	ZLMCIMOLXKGJHL-CYBMUJFWSA-N	312.483	1.426	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)N1CCO[C@H](CF)C1	841576887	HMTYUHQCXZTRLV-CQSZACIVSA-N	323.368	1.420	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)CCc2ccncc2)c1	916093560	VVUUWXGBZGUUIZ-UHFFFAOYSA-N	312.373	1.541	50	20	DDGD	
Cc1ccc([C@H]2COCCN2CC(=O)NNC(=O)C(C)(C)C)o1	744403176	MAQBCLIGDULWGP-GFCCVEGCSA-N	323.393	1.155	50	20	DDGD	
C[C@H]1CCCCN1[C@H](C)CNC(=O)NNC(=O)c1ccccc1	916449399	ZKJSKFKRBAWAEL-UONOGXRCSA-N	318.421	1.894	50	20	DDGD	
CN(NC(=O)Nc1ccc2[nH]ccc2c1)C(=O)N1CCNCC1	841096300	TXASEQTVVYUCGT-UHFFFAOYSA-N	316.365	1.161	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C1CCOc2c(F)cc(F)cc21	842554532	JLFNQIDLVLQWFE-WPRPVWTQSA-N	310.300	1.993	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1c[nH]c2cc(F)ccc12	843649408	UUFYYXLYSKVARN-SKDRFNHKSA-N	319.336	1.422	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](CC(=O)OC)c1cccs1	746510828	UYQQEFQGCUBWKB-PBQZMEPESA-N	308.359	1.912	50	20	DDGD	
CN(C)N(C(=O)[C@H]1CC12CCCC2)[C@H]1CCS(=O)(=O)C1	747297655	KSNNDHFMLFIAHL-NWDGAFQWSA-N	300.424	1.059	50	20	DDGD	
C[C@H]1CCC[C@@](CNC(=O)NNC(=O)C(C)(C)C)(N(C)C)C1	919658480	RQIBWEQTMRVFOT-BLLLJJGKSA-N	312.458	1.873	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(F)ccc1Br)N(C)C	840532364	QJMYCDULQBHJBX-ZETCQYMHSA-N	304.163	1.981	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)CC(F)(F)F	918366439	ZWLBSFFAQXCUBX-UHFFFAOYSA-N	321.211	1.317	50	20	DDGD	
CC1(CNC(=O)NNc2ncc(Br)cn2)CC1	847329018	DFNPHAZUJTWCKP-UHFFFAOYSA-N	300.160	1.665	50	20	DDGD	
COCC[C@@H](C)CNC(=O)NNC(=O)Nc1ccc(OC)cc1	840396938	SFUDTUQKBMDEPS-LLVKDONJSA-N	324.381	1.704	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](C[C@H]1CCCO1)C(F)(F)F	845925027	CSKFAADBKPVJKW-BDAKNGLRSA-N	311.304	1.427	50	20	DDGD	
Cn1c(NNC(=O)c2cc3n(n2)CCCO3)nc2ccccc21	848380463	GYHRZOGVKRHHKG-UHFFFAOYSA-N	312.333	1.309	50	20	DDGD	
Cc1cccc(C2(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)CCC2)c1	843644097	OGZHYITYGWPKLT-ZFWWWQNUSA-N	316.401	1.989	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NN=C2CCO[C@H]2C)n[nH]1	747766592	UNCSIWRWDVUERC-JTQLQIEISA-N	314.345	1.980	50	20	DDGD	
Cc1nnc(NNC(=O)[C@]2(C)CCc3ccccc3C2)nc1O	743295205	IADQVBJFCSENEJ-MRXNPFEDSA-N	313.361	1.524	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc(O)n1	843663842	YPQZJXDBCGQKRM-ONGXEEELSA-N	307.350	1.097	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)CN2CCCC2=O)c(C)c1	841614263	JUQMCSNCCIAAHA-UHFFFAOYSA-N	303.362	1.466	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@@H]2CCO[C@H](C)C2)cc1	845086910	QDKGQUVXKUWRLQ-BXUZGUMPSA-N	321.377	1.596	50	20	DDGD	
Cn1cc(C[C@@H]2CCN(C(=O)NNC(=O)C(C)(C)C)C2)cn1	747502042	OASPVJPLKNGLDQ-NSHDSACASA-N	307.398	1.071	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cccc3cccnc23)n1	740108375	XSRUGXORTVBEAY-UHFFFAOYSA-N	308.345	1.848	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)NC(C)(C)c1nccs1	744401854	GMNWGLSMICYLQO-SNVBAGLBSA-N	312.439	1.550	50	20	DDGD	
CCCNC(=O)NNC(=O)CCc1nnc(-c2ccsc2)o1	921039175	HUMMSIGXSACMEB-UHFFFAOYSA-N	323.378	1.471	50	20	DDGD	
Cc1nn(C)cc1C=NNC(=O)c1nnc(-c2ccccc2)o1	755664718	POVRKCPPGSPWFS-UHFFFAOYSA-N	310.317	1.542	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2CCN(C(C)(C)C)C2)n1	852469444	VMDHRBBWYLEEBV-LLVKDONJSA-N	307.398	1.589	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCc2nn[nH]c21)Nc1ccccc1	854376612	FNEZKVWYQNTJBE-JTQLQIEISA-N	300.322	1.078	50	20	DDGD	
O=C(NCC1CC1)NN=Cc1ccc(O[C@H]2CCOC2)cc1	853295924	VQZKGKBBWOLARZ-HNNXBMFYSA-N	303.362	1.897	50	20	DDGD	
CC1(CCNC(=O)NC[C@]2(C)C[C@@H]2Br)OCCO1	856848847	LJSJRLAAFGAXNA-ONGXEEELSA-N	321.215	1.612	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C=NNC(=O)[C@H]1CCCOC1	853358903	IWIGMOLOKRKEII-MELADBBJSA-N	320.393	1.416	50	20	DDGD	
NC(=O)c1cc(C(=O)NNC(=O)c2cccc3ncccc23)co1	759830960	JNXLNCHMOXMDKD-UHFFFAOYSA-N	324.296	1.002	50	20	DDGD	
Cc1nc2ccnn2cc1C(=O)NC[C@]1(C)C[C@H]1Br	857386455	VEMYNVMTMHBVHK-MFKMUULPSA-N	323.194	1.941	50	20	DDGD	
Cc1cc(F)cc(C(=O)NNC(=O)CC(F)(F)F)c1[N+](=O)[O-]	855001307	YFGNMPHOOLMMBW-UHFFFAOYSA-N	323.202	1.756	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(NC(C)=O)c(C)c1	929511574	PJVCCBSTXQRYLS-UHFFFAOYSA-N	316.361	1.910	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC2(N)CCCC2)c1F	851671706	OTOIOIYKKHQVAK-UHFFFAOYSA-N	324.356	1.510	50	20	DDGD	
Cn1cc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)c2ccccc21	755620616	IUFPXGMZTSBMMI-NSHDSACASA-N	319.386	1.063	50	20	DDGD	
CNc1ccccc1C(=O)NN(C)C(=S)NCCCOC	854279841	KWKCYQUAGVDWQQ-UHFFFAOYSA-N	310.423	1.216	50	20	DDGD	
COc1cc(C(=O)NNC(=O)COc2cc(C)ccc2C)on1	753772630	WNMGISBTKBAZFM-UHFFFAOYSA-N	319.317	1.140	50	20	DDGD	
CSc1ccc(C)c(NC(=O)NNC(=O)c2cnn(C)c2)c1	757909228	CPUOGGIPOWDMAX-UHFFFAOYSA-N	319.390	1.917	50	20	DDGD	
C[C@@H]1C[C@H]1C=NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1	758367689	ZMDPZDRRWNJMIA-APPZFPTMSA-N	315.782	1.359	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNc2cc(Cl)nc(N)n2)s1	753457636	POOWUMPPHQIADN-UHFFFAOYSA-N	311.754	1.733	50	20	DDGD	
O=C(NN=Cc1ccc2ccccc2n1)C(=O)Nc1ccccn1	758387462	MIEOITIIAVMQJV-UHFFFAOYSA-N	319.324	1.719	50	20	DDGD	
O=C(NNC(=O)c1ncnc2ccsc12)NC1CCCCC1	854193002	ZRRKBWDYKZWABI-UHFFFAOYSA-N	319.390	1.968	50	20	DDGD	
CC(C)(C)CNC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	852002572	DCZRFJNQALKIPL-UHFFFAOYSA-N	314.430	1.305	50	20	DDGD	
COC(C)(C)C[C@@H](C)NC(=O)NNC(=O)c1cccc(F)n1	852147962	YSMJOYCRVOLYEU-SECBINFHSA-N	312.345	1.368	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(O)cc2)cc1	921151512	NQZAOUFSENRVOY-UHFFFAOYSA-N	313.313	1.100	50	20	DDGD	
CC(C)(C)OC(=O)C1=NO[C@H](C(=O)NCCCSC#N)C1	854359505	NIMBWMCKIBTMLP-JTQLQIEISA-N	313.379	1.194	50	20	DDGD	
CC1(C)CN(C(=O)NC[C@]2(C)C[C@H]2Br)CC[C@@H]1O	856959504	VPHCAFWWWPWIHI-NRUUGDAUSA-N	319.243	1.962	50	20	DDGD	
O=C(NN=C[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCS(=O)(=O)C1	755620199	DYIIXGTUPUFVIQ-IHRRRGAJSA-N	306.387	1.327	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C[C@H]1CC1(Cl)Cl	853318469	SHZSHMUNVLEWNH-SECBINFHSA-N	315.160	1.107	50	20	DDGD	
CC(C)C[C@H](O)CNC(=O)NC[C@@]1(C)C[C@@H]1Br	856956922	WXOXREVTXLXMHH-JBLDHEPKSA-N	307.232	1.866	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H](NC(C)=O)C(C)C	751174353	OLMFYOIIFOEYTJ-ZDUSSCGKSA-N	310.306	1.670	50	20	DDGD	
CC1(C)C(=NNC(=O)C(=O)Nc2ccccn2)[C@H]2CCC[C@H]21	853319484	UXXSPLVACRKLKI-WDEREUQCSA-N	300.362	1.948	50	20	DDGD	
CN1C(=O)CC[C@@H]1CC(=O)NNC(=O)c1cccc(Cl)c1	854196927	QWRHSTGUDUTVEL-LLVKDONJSA-N	309.753	1.112	50	20	DDGD	
COc1cccc(C(=O)/C(C#N)=C\c2cn(CC(=O)O)nn2)c1	768849022	PUBVSRJGJQFFFW-WZUFQYTHSA-N	312.285	1.161	50	20	DDGD	
OB(O)c1ccccc1CNc1ccc(-c2csnn2)cc1	864024819	IFZHYXZYYOTDMS-UHFFFAOYSA-N	311.175	1.497	50	20	DDGD	
CCn1ncc(C(=O)NNc2cccc(C(=O)OC)c2F)c1C	868782020	JUYUUJGKWGBUGF-UHFFFAOYSA-N	320.324	1.894	50	20	DDGD	
CCCc1[nH]nc(C(=O)NN[C@@H](C)C(F)(F)F)c1[N+](=O)[O-]	862312682	RLPNHDGGCYAGCL-YFKPBYRVSA-N	309.248	1.456	50	20	DDGD	
CCC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	861435738	ROHVZHQFNYSAEY-GXFFZTMASA-N	319.361	1.857	50	20	DDGD	
CCCO[C@H](C(=O)NNC(=O)N(C)C)c1ccc(F)cc1C	931119863	RRJHNMKCLJHOSG-ZDUSSCGKSA-N	311.357	1.904	50	20	DDGD	
COc1nccnc1NNC(=O)C(=O)Nc1cc(C)cc(C)c1	766264420	KEXJKKXHFJIXKB-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
CC(=NNC(=O)C(C)C)c1ccc(Cl)c(S(N)(=O)=O)c1	764658688	FZYJVIKMDOQOPQ-UHFFFAOYSA-N	317.798	1.484	50	20	DDGD	
CCC(=O)c1ccc(C(=O)NNC(=O)NCCCOC)cc1	760450692	VTJSZZXDWBYLSR-UHFFFAOYSA-N	307.350	1.260	50	20	DDGD	
CCCC1(C(=O)OCC(=O)NNC(=O)c2cccs2)CC1	761471298	WEFLNWVQNPWTAT-UHFFFAOYSA-N	310.375	1.633	50	20	DDGD	
Cc1cccc(NNC(=O)C(=O)Nc2ccnn2C(C)C)n1	861958719	FXSWPBOASREHKO-UHFFFAOYSA-N	302.338	1.249	50	20	DDGD	
Cn1c(C(=O)NNc2ccc([N+](=O)[O-])cc2)ccc1[N+](=O)[O-]	768249946	GLPSKTKJEGRCGD-UHFFFAOYSA-N	305.250	1.598	50	20	DDGD	
CCOC(=O)[C@H](C)[C@@H](C)NS(=O)(=O)CC(C)(C)CCl	867097244	UWILXSVSTYZHBG-NXEZZACHSA-N	313.847	1.759	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@]12CCCc1ccccc12)c1cn[nH]c1	862472804	SURNLESWWXDSEK-PBHICJAKSA-N	310.357	1.465	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@@H]1CCOC2(CCCC2)C1	769177422	ZMEBJIWGRSJHTN-SECBINFHSA-N	323.315	1.761	50	20	DDGD	
CCCOc1cccnc1C(=O)NNC(=O)c1ccncc1	760036277	FEKUIFFIFCLVSB-UHFFFAOYSA-N	300.318	1.340	50	20	DDGD	
CCC(N)(CC)CNC(=O)NNC(=O)c1ccccc1Cl	1118032558	RPLLIUYZMHTYAR-UHFFFAOYSA-N	312.801	1.802	50	20	DDGD	
Cc1noc([C@H](C)NC(=O)NNc2ncnc3ccsc23)n1	765826115	MKKZDIUEQSBYMV-LURJTMIESA-N	319.350	1.770	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@H]1CCN(C(N)=O)C1	768125146	NDNJUTLZOKXFAQ-JGVFFNPUSA-N	306.204	1.065	50	20	DDGD	
CC(C)C1(C(=O)NNc2cncc(Br)c2)COC1	1119964536	JAXSXFXJEFQLFX-UHFFFAOYSA-N	314.183	1.960	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNC(=O)NC3CCCC3)(CC1)C2	760201942	ZBDAZELYKRXQSE-UHFFFAOYSA-N	323.393	1.383	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2O[C@H]3C=C[C@H]2CC3)c1	879801664	SQUOALFBYVDGDD-KBPBESRZSA-N	301.346	1.090	50	20	DDGD	
CCC[C@@H]1C[C@H](C(=O)NNC(=S)NC(C)(C)C)CCO1	779874298	XUGXHNTWXOGXIF-GHMZBOCLSA-N	301.456	1.876	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@H]2CC[C@@H](C)C2)cn1	776345557	SWLZVVCVJBQFCC-ZJUUUORDSA-N	308.407	1.844	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H](C)C2)cc1OC	776285869	RWKNQYILTUDPSB-ZYHUDNBSSA-N	322.361	1.280	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cc(C(F)(F)F)n[nH]1	773708252	DDKMZDAIMSROBE-UHFFFAOYSA-N	312.251	1.812	50	20	DDGD	
CO[C@H](C)C(=O)NNC(=S)Nc1ccc(OC(C)C)cc1	874949310	KQXADQBCQXWSKT-SNVBAGLBSA-N	311.407	1.826	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C1C2CC3CC(C2)CC1C3	771900211	HBQOGXGBTFSABO-HQODWTRASA-N	322.405	1.548	50	20	DDGD	
O=C(CCc1cnn[nH]1)NNc1cccc(C(F)(F)F)n1	878923015	ONBKSGUKTNJCLN-UHFFFAOYSA-N	300.244	1.294	50	20	DDGD	
CC#CCCNC(=O)NNC(=O)COc1ccc(C)c(C)c1	776204081	AIXYRUMVSVRRKR-UHFFFAOYSA-N	303.362	1.426	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@H]2CCC[C@H](C(=O)N(C)C)C2)cc[nH]1	875293846	OCIIDCUUPOOHQH-STQMWFEESA-N	319.409	1.085	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CCCN)cc1N1CCCC1	873337498	POZKYOSQNNFTET-UHFFFAOYSA-N	319.409	1.487	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1cc(C2CC2)n(C)n1	1117675365	KOORICXZNUPRNI-UHFFFAOYSA-N	314.349	1.083	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN[C@@H]2CCCC[C@H]2C)c1	771793235	KERCETCMSCVXKN-UKRRQHHQSA-N	303.406	1.924	50	20	DDGD	
COCCOCC(=O)NN=Cc1coc(-c2ccccc2)n1	872401067	FGLCXURCZSQSMK-UHFFFAOYSA-N	303.318	1.455	50	20	DDGD	
CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)NN=c2cc[nH]c(C)c2)C1	875352614	MFYNQCNYHXPBQN-OQQHHNTDSA-N	324.450	1.518	50	20	DDGD	
CN(C)c1nc(C=NNC(=O)CO)c(Cl)n1-c1ccccc1	776782647	SCABLPIXAYTKTR-UHFFFAOYSA-N	321.768	1.034	50	20	DDGD	
Cc1nnc(CCC(=O)NNC(=O)C(C)(C)c2ccccc2)o1	874447539	FHYYLKQJMHLPIN-UHFFFAOYSA-N	316.361	1.436	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C	875496217	FKCKEDQVKPQDGR-JSGCOSHPSA-N	320.393	1.419	50	20	DDGD	
CN1CCCC[C@@H](C(=O)NNc2nccc3sccc23)C1=O	878857152	SAAYZXROMAXIOV-NSHDSACASA-N	318.402	1.998	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)c1c(O)cccc1F	771857082	GFIHZOPFNJIDOC-UHFFFAOYSA-N	322.267	1.510	50	20	DDGD	
Cc1noc(C)c1NC(=O)NNc1cccc(S(C)(=O)=O)c1	776469328	KZZIRBSUJVJXLJ-UHFFFAOYSA-N	324.362	1.844	50	20	DDGD	
COc1cc(CC(=O)NNc2ccccn2)cc(OC)c1OC	777472589	QHKQPULLHOSTKK-UHFFFAOYSA-N	317.345	1.793	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1noc2c1CCCC2	770246340	RDQCAKWCKOLBIT-UHFFFAOYSA-N	314.436	1.025	50	20	DDGD	
C#C[C@@H](NC(=O)c1c(C)nn(CCCl)c1C)[C@@H]1CCCO1	775328792	NVUFXGJTKCWAHZ-OLZOCXBDSA-N	309.797	1.649	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1	773672805	KTHDZZIDCHCRJQ-RRFJBIMHSA-N	322.453	1.581	50	20	DDGD	
C[C@@H]1CCCN(C(=O)CCNC(=O)NNc2cccc(F)n2)C1	1122014934	HTKFEFKJPGSBKF-LLVKDONJSA-N	323.372	1.495	50	20	DDGD	
CC(C)[C@H](C(=O)NCCCSC#N)N1C[C@H](C)O[C@H](C)C1	773587568	JAPAZFMIJZQXJA-HZSPNIEDSA-N	313.467	1.841	50	20	DDGD	
O=C(Cc1c(F)cccc1Cl)NNC(=O)C1CCOCC1	883059978	RMVJNTWUTVZXDH-UHFFFAOYSA-N	314.744	1.596	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2ccccc2OC(F)(F)F)CN1	779200888	BYGFRXXTWZKIFV-QMMMGPOBSA-N	317.267	1.555	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCCC(=O)c1ccccc1	887152958	CDPSKDSCIBJMEO-UHFFFAOYSA-N	300.358	1.991	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1OC	889483258	JWEBGOQHZWPYGB-NXEZZACHSA-N	323.349	1.282	50	20	DDGD	
C[C@@H](Oc1ccc(OS(=O)(=O)CCCCl)cc1)C(N)=O	881935987	VAMJWVPJPOMWGF-SECBINFHSA-N	321.782	1.277	50	20	DDGD	
O=C(NC[C@@H]1C[C@H]1C1CCCCC1)NNC(=O)c1cccnn1	883668354	UPAVFORTKCKZTI-STQMWFEESA-N	317.393	1.637	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)CCC(C)(C)O)cc1OC	786674671	BOXDYGOINUUEEP-UHFFFAOYSA-N	324.377	1.406	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cn(C)nc1C1CCCCC1	780708785	JOHKVCWSKGHUSB-UHFFFAOYSA-N	307.398	1.774	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1c(C)nn(C(C)(C)C)c1C	887142113	WRASBZWPLCKCML-UHFFFAOYSA-N	304.394	1.819	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CCCCc1ccccc1	885620295	HKROYUFDNXQYEH-ZDUSSCGKSA-N	320.389	1.889	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)CO1	784157163	QYYJKUVROKQUML-BDAKNGLRSA-N	320.374	1.324	50	20	DDGD	
CC(=NNC(=O)Cc1cn2ccccc2n1)c1nccnc1C	783521290	PWZHMHBXRIGHNE-UHFFFAOYSA-N	308.345	1.516	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CCN(C3CC3)C2)c1	780831565	DSIVWNQDZDHRTQ-ZDUSSCGKSA-N	318.377	1.336	50	20	DDGD	
Cn1cc(-c2ccc(F)c(C(=O)NNc3ncccn3)c2)cn1	782566764	YKWLGZODAKDJSF-UHFFFAOYSA-N	312.308	1.773	50	20	DDGD	
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)NNC(=O)C(C)C	782562206	GNLNCLJFKSDXDF-UHFFFAOYSA-N	320.393	1.942	50	20	DDGD	
CCn1cc(CC(=O)NNc2ccccc2C(=O)OC)cn1	780991119	ZDSUPSAFIJUYSE-UHFFFAOYSA-N	302.334	1.375	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1ccc([N+](=O)[O-])cc1Cl	782225709	YJASJLFGHZEXML-UHFFFAOYSA-N	324.724	1.367	50	20	DDGD	
COc1cccc(NNC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)n1	780768971	KFDNJTFQJOFNCL-LLVKDONJSA-N	320.393	1.570	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNS(=O)(=O)c1ccco1	783528340	NXSXMXYNCJNCKI-UHFFFAOYSA-N	319.342	1.244	50	20	DDGD	
Cc1ccccc1[C@H](CO)NS(=O)(=O)CCCCCl	780804973	QEBPRLKGDHSJTI-ZDUSSCGKSA-N	305.827	1.967	50	20	DDGD	
C=CCNC(=S)NNC(=O)C1(c2cccc(OC)c2)CC1	794609989	YGRLCELPCAQURF-UHFFFAOYSA-N	305.403	1.408	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1ccc(C#N)o1	794185275	MWJYQKLHAAKDFW-UHFFFAOYSA-N	313.313	1.554	50	20	DDGD	
COc1cccc(CNC(=O)NNC(=O)N=c2cc[nH]cc2)c1	794748829	UNLYDJZUZAOPDR-UHFFFAOYSA-N	315.333	1.048	50	20	DDGD	
COC(=O)COc1c(C)cc(/C=C(/C#N)S(N)(=O)=O)cc1C	799893059	DNPREVBHESNMIU-SDQBBNPISA-N	324.358	1.008	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccccc1	796292361	ANDDOZLGMQIYJJ-UHFFFAOYSA-N	317.305	1.057	50	20	DDGD	
Cc1c[nH]nc1C(=O)NNC(=O)c1cccc(Br)c1	799418010	AEIDNMWGRPGKLV-UHFFFAOYSA-N	323.150	1.555	50	20	DDGD	
COc1ccc(Br)c(/C=C(\C#N)S(N)(=O)=O)c1	799893227	SBCLHUWMHYFAMO-WEVVVXLNSA-N	317.164	1.611	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccc(C2OCCO2)c1	798306135	VWJCPPIPQYXZIV-UHFFFAOYSA-N	307.375	1.027	50	20	DDGD	
Cc1oc(C#N)cc1C(=O)NNC(=O)COc1ccccc1O	797864763	UHXKPTYOBPJOCZ-UHFFFAOYSA-N	315.285	1.005	50	20	DDGD	
C#CCOCCC(=O)NNC(=O)c1cc(C)nc2ccccc12	799009910	NPKCEMZFFXJNTE-UHFFFAOYSA-N	311.341	1.344	50	20	DDGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC(OCC(N)=O)CC1	1319338745	MMIOIRHIKSSFMV-PJQLUOCWSA-N	303.337	1.656	50	20	DDGD	
CN[C@@H](C)CCNC(=O)NNc1cccc(Br)n1	1326133749	RQDFYQBALDRXSX-QMMMGPOBSA-N	316.203	1.468	50	20	DDGD	
O=C(CCO)NN=Cc1csc(-c2ccc3c(c2)OCO3)n1	1322318152	ACYFGDKXMAXLNP-UHFFFAOYSA-N	319.342	1.371	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H](C)c2cnn(C)c2C)c1	1329721598	GWTOCXWZOAMCIP-SECBINFHSA-N	321.406	1.804	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)C2CCS(=O)(=O)CC2)cc1	1324211127	UTDJJBXXCVKKSP-UHFFFAOYSA-N	324.402	1.626	50	20	DDGD	
CN(C)Cc1cc(C(=O)NNc2ccc(F)c(F)c2F)no1	1325352019	JZWIALOMAFPRNK-UHFFFAOYSA-N	314.267	1.910	50	20	DDGD	
CC(=O)Nc1cccc(C(=O)NNC(=S)NC(C)C)c1C	1320617674	GIPDMKHQSPURFK-UHFFFAOYSA-N	308.407	1.471	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cc(F)cc3nc[nH]c23)c1Cl	1324009329	OAGWWKLXRMRXNU-UHFFFAOYSA-N	321.703	1.485	50	20	DDGD	
C[C@H](O)Cc1cn([C@@]2(Cl)C[C@H]2CCBr)nn1	1336895231	HHMWBMIVHMVTPG-XKSSXDPKSA-N	308.607	1.898	50	20	DDGD	
C[C@H](NNC(=O)c1ccccc1N1CCCC1=O)C(F)(F)F	1331792682	WSDCGAIGXCBSSX-VIFPVBQESA-N	315.295	1.999	50	20	DDGD	
C=CCCN(C)C(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1331100894	FZHVHYTYOKWJRY-SKDRFNHKSA-N	303.200	1.311	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CSCc1cccs1	1338843358	DTBOUPIMWFMWLW-UHFFFAOYSA-N	310.404	1.474	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1cccc(OC(C)(C)C)c1	1348224725	KXHRZGKLRCMNFL-UHFFFAOYSA-N	321.377	1.606	50	20	DDGD	
C=CC[C@H](CC)NC(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1347953333	UJSWNHSKRFSJPN-CWSCBRNRSA-N	317.227	1.747	50	20	DDGD	
O=C(NCc1nc2c(s1)CCC2)NNc1ncncc1F	1340805324	DDHOFZRQSWAVRM-UHFFFAOYSA-N	308.342	1.387	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)Nc1cc(Cl)ccc1F	1348509941	BCRMMXJYFWRHHW-UHFFFAOYSA-N	314.748	1.631	50	20	DDGD	
Cn1nc(-c2ccco2)cc1NC(=O)NNc1ncc(F)cn1	1343883592	CZQGVBXTXAOALB-UHFFFAOYSA-N	317.284	1.758	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)OCC(F)(F)F)cn1	1261754819	LYOWTLLEWNARKP-UHFFFAOYSA-N	307.228	1.414	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1ccc(C(C)(C)C)nn1)C(C)(C)C	1347812438	AXZMIGGYKSQFDS-CYBMUJFWSA-N	321.425	1.768	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)COCc2ccccn2)nn1	1350285081	ZICFTSBRFYJGCP-UHFFFAOYSA-N	315.377	1.829	50	20	DDGD	
CCOc1cc(C(=O)NNC(=O)C(C)(C)c2ccccc2)[nH]n1	1350659352	CQYWMISTABCKJK-UHFFFAOYSA-N	316.361	1.547	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2cc(C(=O)O)ccn2)nn1	1603540224	LJBUFZHQYXKMNW-UHFFFAOYSA-N	315.333	1.624	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1)OCC(F)(F)F	1601553867	XXOKVMULNPSUES-RNFRBKRXSA-N	312.244	1.197	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H](O)C2CCCCC2)cc1F	1602382546	PZPDVRMHYIATKR-CYBMUJFWSA-N	310.325	1.908	50	20	DDGD	
O=C(Cc1ccc(F)cn1)NNc1cccc(F)c1C(=O)O	1608359669	AULLYHLMHRRZNB-UHFFFAOYSA-N	307.256	1.744	50	20	DDGD	
O=C(NNC(=O)[C@]1(C(=O)O)CC=CCC1)NC1CCCCC1	1605814583	IKRDJCIVACXPTB-HNNXBMFYSA-N	309.366	1.461	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H]2CCC[C@H](C(=O)O)C2)c1	1600648163	QSJWIAILQBRJAY-UWVGGRQHSA-N	310.375	1.709	50	20	DDGD	
CN(NC(=O)C(=O)Nc1ccccc1C(=O)O)c1ccccc1	1604195233	NZNVDDSLIILGGQ-UHFFFAOYSA-N	313.313	1.491	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(-c3nn[nH]n3)cc2)nc1	1605300988	BBVYWUBMKWZWFE-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
CCn1nnc(C)c1C(=O)NNc1cccc(C(=O)O)c1C	1605945064	FJVSRTHROALOPD-UHFFFAOYSA-N	303.322	1.370	50	20	DDGD	
O=C(O)CCc1ccccc1C(=O)NNc1ccc(F)cn1	1608740743	QQYLZULAQPPFRB-UHFFFAOYSA-N	303.293	1.995	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)c1cnc2[nH]cnc2c1	1601557351	UNBLCHVJIZFKFR-UHFFFAOYSA-N	315.264	1.552	50	20	DDGD	
O=C(O)CCc1cccc(NC(=O)NNc2ncc(F)cn2)c1	1606215843	UIMGLTZPLHDNCE-UHFFFAOYSA-N	319.296	1.782	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)N[C@@H]1CCC(F)(F)C1	1605820813	FWFUPWMGEHJDPJ-SSDOTTSWSA-N	300.265	1.594	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H]2CCCO[C@@H]2c2ccnn2C)on1	1549510563	UDPHXVXOUZFJSP-OCCSQVGLSA-N	317.349	1.335	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2C[C@H](C)CCN2)c1	1574767056	ZBAOQLSWORVQJN-RISCZKNCSA-N	316.430	1.374	50	20	DDGD	
CO[C@H]1CN[C@@H](C(=O)NNc2cc(Cl)ccc2Cl)C1	1574002030	YCSZJGYXMMFIQE-LDYMZIIASA-N	304.177	1.813	50	20	DDGD	
CC(C)(C)n1cc(NC(=O)NNc2ncccc2C(=O)O)cn1	1588749229	WSIOGEIJUSCAKD-UHFFFAOYSA-N	318.337	1.880	50	20	DDGD	
CC(C)(C(=O)O)C(=O)NNC(=O)c1ccc2ccccc2n1	1588618591	WFDAZUIBYKILHZ-UHFFFAOYSA-N	301.302	1.107	50	20	DDGD	
CCc1ccc(NNC(=O)c2cnccc2-c2nn[nH]n2)cc1	1590891606	RTVZVPSTKHEQCG-UHFFFAOYSA-N	309.333	1.581	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1sccc1-c1nn[nH]n1	1590393441	FOFHAWUWMUBINC-LURJTMIESA-N	309.355	1.127	50	20	DDGD	
CCn1cccc(NC(=O)NNc2ncccc2C(=O)O)c1=O	1593668209	VNYQNPYVHIIXQW-UHFFFAOYSA-N	317.305	1.110	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(O[C@H](C)C(=O)O)c(F)c1	1598884218	PRKXMDFJZGYROK-ZCFIWIBFSA-N	315.257	1.070	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCC2(C(=O)O)CC2)cc1	1597500973	HTELAGQZTAGDSZ-UHFFFAOYSA-N	305.334	1.058	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NC[C@@](C)(C(=O)O)c1ccccc1	1590037151	HEPHDIGASHFAMF-UILAEWCASA-N	302.330	1.589	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ncc(F)cc1F	1593165334	CEAVUTMUJNAWND-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
Cc1cc(=NNC(=O)c2c(C)cc(-c3nn[nH]n3)cc2C)cc[nH]1	1592054143	RVWNOJQENKGNCL-UHFFFAOYSA-N	323.360	1.366	50	20	DDGD	
NC(=O)C(=O)NN=Cc1ccc(-c2ccc(C(=O)O)cc2)s1	1776016084	TXEQUBCORPVIMD-UHFFFAOYSA-N	317.326	1.049	50	20	DDGD	
COc1cc(C=NNC(=O)OC(C)C)ccc1OCC(=O)O	1776082234	DSABHSIVAYFQRJ-UHFFFAOYSA-N	310.306	1.627	50	20	DDGD	
CCCCNC(=O)NN=C1CCCc2ncc(C(=O)O)cc21	1776039163	SFRBLSJBWDLZBF-UHFFFAOYSA-N	304.350	1.920	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)C(F)F)CCO2)C1	1781213393	NYJQYUACBFGXSM-RNCFNFMXSA-N	324.755	1.099	50	20	DDGD	
CCCC[C@@H](NC(N)=O)C(=O)NNc1ccc(F)cc1F	158161855	AYGZMEMSUMMJPA-LLVKDONJSA-N	300.309	1.635	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1	160472182	RYZKNHMTWSIIGJ-LSDHHAIUSA-N	319.405	1.765	50	20	DDGD	
CC(C)(C#N)C(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	151086288	FHFNEBPXFQJIFF-UHFFFAOYSA-N	303.347	1.449	50	20	DDGD	
Cc1[nH]c2ccnn2c(=O)c1CC(=O)NNc1ccccc1F	153274562	MJZBQODYHZGDLN-UHFFFAOYSA-N	315.308	1.156	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@](C)(O)c1ccc(F)cc1F	159753480	AEVMZZFMXADXOG-WWRUEGTHSA-N	310.300	1.732	50	20	DDGD	
C=CCN1CC[C@H](N(C)NC(=O)OCc2ccccc2)C1=O	859386573	UVJDFBIBHFQETN-AWEZNQCLSA-N	303.362	1.547	50	20	DDGD	
C[C@@H](Cl)C(=O)NCc1cccnc1N1CCC[C@@H](C(N)=O)C1	1887504136	KESUSXHZULJFGN-ZYHUDNBSSA-N	324.812	1.027	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1ccccc1	510829	OOHBIRYNTJVHGF-UHFFFAOYSA-N	300.314	1.535	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)c2ccccn2)cc1OC	8314455	WYQBORNVZQXEMP-UHFFFAOYSA-N	315.329	1.564	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)Nc2nccs2)cc1	56516705	SVDGNOSRRXCKBS-UHFFFAOYSA-N	320.374	1.937	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)c1cscn1	103217005	BCPLDCNQVDYQRQ-UHFFFAOYSA-N	308.388	1.783	50	20	DDGD	
CCc1nc(CC(=O)NNc2ccc(C(=O)OC)cn2)cs1	179800924	UCFHJNSHYKNYIV-UHFFFAOYSA-N	320.374	1.573	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(Cl)nn2)cc1OC	118500677	GZEXUNZEDLFZOO-UHFFFAOYSA-N	308.725	1.904	50	20	DDGD	
CC(C)N1CCC[C@H](CNC(=O)NNC(=O)c2ccccc2)C1	105274685	WNEDCUCMWDZUAL-CQSZACIVSA-N	318.421	1.751	50	20	DDGD	
CO[C@]1(C)C[C@@H](NC(=O)NNc2cncc(Cl)n2)C1(C)C	173717366	WEQKDXFLLBCOBE-AMIZOPFISA-N	313.789	1.960	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccncc2)cc1[N+](=O)[O-]	175792765	LPDOAFURUCEFTR-UHFFFAOYSA-N	314.301	1.302	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCCc1ccc(Cl)cc1	66702379	SRVOTMRDESEDFU-UHFFFAOYSA-N	313.785	1.640	50	20	DDGD	
Cc1ccc(C(=O)NCCNC(=O)NNC(=O)C(C)(C)C)cc1	111499755	VULRTPYNAMOQRB-UHFFFAOYSA-N	320.393	1.101	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CNc2ccc(C)cc2)cc1	68976411	RIFPIIAFYJNIJR-UHFFFAOYSA-N	313.357	1.877	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C1[C@H]2CCC[C@@H]12	177601377	MHYCAKFEVXXDIL-JYMZFCCUSA-N	302.330	1.020	50	20	DDGD	
C[C@H](CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)c1ccccc1	68742263	BKOWMEDKDKHNQL-HIFRSBDPSA-N	324.446	1.673	50	20	DDGD	
Cc1[nH]c(C(=O)NNC(=O)NC2CC2)c(C)c1C(=O)OC(C)C	64900792	PMSOELMRLOBGNX-UHFFFAOYSA-N	322.365	1.303	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)o1	175839092	RMHQGFLUHNWETA-UHFFFAOYSA-N	309.366	1.292	50	20	DDGD	
CCOCCC1(C(=O)NNC(=O)c2ccccc2O)CCC1	125132976	GRAOHLMTPCERSL-UHFFFAOYSA-N	306.362	1.750	50	20	DDGD	
CN(C[C@H]1CCOC1)C(=O)NNC(=O)c1cc2ccccc2o1	176533309	DGYWCSSTISOXTG-LLVKDONJSA-N	317.345	1.756	50	20	DDGD	
CNc1cc(C(=O)NNc2cc(C)nc(C)n2)cc(Cl)n1	128618938	BVKKXPVHXPPOEY-UHFFFAOYSA-N	306.757	1.940	50	20	DDGD	
ICCN1CCCC[C@H]1C1OCCO1	759362802	MKTSBRJFOOBKCJ-VIFPVBQESA-N	311.163	1.649	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2ncc(F)cn2)c2ccc(F)cc2N1	122813359	FLYOJCIQMXAQPY-SNVBAGLBSA-N	319.271	1.324	50	20	DDGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)c1cnccn1	30813138	MTIQJZNQDBLLQM-UHFFFAOYSA-N	307.766	1.761	50	20	DDGD	
C[C@@H](C[S@@](C)=O)NC(=O)NNC(=O)c1cc2ccccc2o1	182835116	FVRJLWYCEDAVJM-GTUYJWLHSA-N	323.374	1.144	50	20	DDGD	
O=C(Cc1ccc(F)cc1F)NNC(=O)NCc1ccco1	127713431	GZMSDPFVEFQNMR-UHFFFAOYSA-N	309.272	1.631	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNC(=O)c2ccc(C#N)cc2)[nH]n1	129100461	PEBNEYXOYUIPII-UHFFFAOYSA-N	311.345	1.654	50	20	DDGD	
CCCNC(=O)c1cccc(C(=O)NNc2ncc(F)cn2)c1	122885477	JODJQRHXECDUQU-UHFFFAOYSA-N	317.324	1.512	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2c(C)ccn2C)c(C)c1	189593076	USXBWEGCDJXHAT-UHFFFAOYSA-N	314.389	1.823	50	20	DDGD	
COc1ccc(C)cc1CCNC(=O)NNC(=O)c1ccc[nH]1	121178128	HNRDNWCCINTEII-UHFFFAOYSA-N	316.361	1.518	50	20	DDGD	
Cc1ccccc1[C@@H](C)CC(=O)NNC(=O)Cc1cc[nH]n1	186089149	UXYMYODNPUJJOO-LBPRGKRZSA-N	300.362	1.602	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NNc2ccnc(F)c2)n1	182513688	WFPPIGVVNIQKLV-UHFFFAOYSA-N	307.354	1.863	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)C(=O)Nc1ccsc1	189047104	FJDOKPSWCFRVOF-UHFFFAOYSA-N	318.358	1.848	50	20	DDGD	
CC1(C)C(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1(C)C	72795320	OUPXJTRKUGXWFS-GFCCVEGCSA-N	318.373	1.656	50	20	DDGD	
C[S@](=O)c1ccc(C(=O)NNC(=O)c2ccccc2O)cc1	73357152	VOUFUKBUYKCIGF-JOCHJYFZSA-N	318.354	1.204	50	20	DDGD	
Cn1c(NNC(=O)c2ccc(C#N)cc2)nc2ccccc2c1=O	70905268	BNUYLFGFDUQFFZ-UHFFFAOYSA-N	319.324	1.562	50	20	DDGD	
CN(C)C(=O)c1ccc(C(=O)NNC(=O)NC2CCCC2)cc1	76874540	ZLKMJAYMZMYYKM-UHFFFAOYSA-N	318.377	1.275	50	20	DDGD	
CCc1ccccc1CC(=O)NNC(=O)C(=O)NC(CC)CC	188701272	WJKLPLMMFJCRAZ-UHFFFAOYSA-N	319.405	1.244	50	20	DDGD	
N#CCCn1ccc(NC(=O)NNC(=O)c2ccc(C#N)cc2)n1	185766303	NEPPMPAHICFRNY-UHFFFAOYSA-N	323.316	1.135	50	20	DDGD	
O=C(NCc1ccc(N2CCCC2)nc1)NNc1cccnn1	77342658	XGZDREIOKUIMIQ-UHFFFAOYSA-N	313.365	1.298	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccccc1Cl)NC1CCCC1	49419580	YMRJUXDZPQRRME-UHFFFAOYSA-N	317.798	1.775	50	20	DDGD	
Cc1ccc(C)c(S(=O)(=O)NNC(=O)c2ccc(C)o2)c1	84461229	CUWRTAVCRJTZCR-UHFFFAOYSA-N	308.359	1.828	50	20	DDGD	
COc1nccnc1NNC(=O)c1c[nH]nc1-c1ccccc1	131810347	OYDHATBUNAQHPD-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
C[C@@H](NC(=O)c1ccoc1)C(=O)NNc1cccnc1Cl	85684265	AHODWNQRDSOZIA-MRVPVSSYSA-N	308.725	1.590	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cc(Cl)ccc1F	48832016	FFDPMMFVJMXZID-UHFFFAOYSA-N	313.638	1.985	50	20	DDGD	
C[C@H](CBr)CN1CCN(C(=O)[C@H]2CCCO2)CC1	133596957	FTKAGIBMHHCTPG-VXGBXAGGSA-N	319.243	1.341	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCC1CCOCC1	195467644	IEJMXZGZFNJPCC-UHFFFAOYSA-N	305.378	1.376	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cccnc1OCC(F)F	89605199	WZDWHFDTBMOPJN-UHFFFAOYSA-N	324.287	1.139	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=S)NCC(F)(F)F	49496559	QKAQMYQALSGNOC-UHFFFAOYSA-N	305.325	1.677	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cc(-c2ccccc2)no1	81017075	PAOSJKLPQOSQFY-UHFFFAOYSA-N	322.324	1.740	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)c2cc3c(s2)CCC3)on1	141669605	GQRDLXSDPOOWTJ-UHFFFAOYSA-N	320.374	1.677	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1CCCc2cn[nH]c21	268840206	MQFFBCIRPPXXSP-ZDUSSCGKSA-N	313.361	1.740	50	20	DDGD	
O=C(NNC(=O)c1cccc2[nH]c(=O)oc12)NC1CCCCC1	269692576	JVGBHXZVBBOOKG-UHFFFAOYSA-N	318.333	1.398	50	20	DDGD	
COc1cccc(O[C@H](C)CNC(=O)NNC(=O)C2CCC2)c1	266500411	FKHGRKNFOIPHSN-LLVKDONJSA-N	321.377	1.593	50	20	DDGD	
CCCCOCCCNC(=O)NNc1nc(C)cc(OC)n1	266994487	WPZARMMFGSNESL-UHFFFAOYSA-N	311.386	1.627	50	20	DDGD	
CCC(=O)N1CCCN(S(=O)(=O)CCCCCl)CC1	163443163	HQMCYULITPPQAM-UHFFFAOYSA-N	310.847	1.280	50	20	DDGD	
Cc1ccc(N2CCN(C(=O)NNC(=O)C(C)(C)C)CC2)cc1	273639543	XXZZSNYBTPNQDY-UHFFFAOYSA-N	318.421	1.904	50	20	DDGD	
COc1cc(C)c(NC(=O)C(=O)NNC(=O)CC2CC2)cc1F	275070944	PLFUTZNWUYJYSU-UHFFFAOYSA-N	323.324	1.029	50	20	DDGD	
CCOc1cccc2[nH]cc(CC(=O)NNC(=O)C3CC3)c12	275399993	IHSSDNAMAYIUNT-UHFFFAOYSA-N	301.346	1.667	50	20	DDGD	
COC1(CC(=O)NNC(=O)c2ccc(Cl)cc2O)CCC1	276877208	LQUYGJQSKVZZCA-UHFFFAOYSA-N	312.753	1.766	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)CC[C@H](C)OC)nc1C	272812438	BXINPTHFESSWND-VIFPVBQESA-N	310.354	1.220	50	20	DDGD	
Cc1nncn1CCNC(=O)[C@H](Br)C(C)(C)C	274675181	YTVHZVMZUSAYJP-VIFPVBQESA-N	303.204	1.512	50	20	DDGD	
O=C(NNc1ncccn1)N[C@H]1COc2c(Cl)cccc21	371962303	KTFWOAQMWIXEKV-JTQLQIEISA-N	305.725	1.890	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(OC)nc1Cl	273507523	ZTQACJAIYFJDIL-SSDOTTSWSA-N	300.746	1.942	50	20	DDGD	
CC[C@H]1C[C@H](CC(=O)NNC(=O)Cn2nc(C)cc2C)CCO1	272988584	SKACAZYKMALQFH-KGLIPLIRSA-N	322.409	1.243	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1nc2cc(Cl)ccn2n1	289743032	KRPRGLXVOCYUDO-UHFFFAOYSA-N	324.772	1.972	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H]1C(=O)NNc1ccc2c(O)nccc2c1	285595919	FJRBJVLKGFDPKH-STQMWFEESA-N	315.329	1.583	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(OC)c(-c2ccccn2)c1	288552618	POTGEDLXAZKSFC-UHFFFAOYSA-N	315.373	1.980	50	20	DDGD	
C[C@H](CNC(=O)NNc1cccc(F)n1)CN1CCCCC1	286997081	KFWADEQEGAZPAG-GFCCVEGCSA-N	309.389	1.969	50	20	DDGD	
CN1Cc2ccccc2[C@@H](NC(=O)NNC(=O)OC(C)(C)C)C1	374361916	RDPSAWFVQADRRH-ZDUSSCGKSA-N	320.393	1.912	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CCCn1cccc1	288067125	UCVNIJLPWORXKW-UHFFFAOYSA-N	311.382	1.205	50	20	DDGD	
CC(C)(C)c1nnc(C(=O)NNC(=O)c2ccccc2)s1	281135404	JMLMSOAAPRRQSW-UHFFFAOYSA-N	304.375	1.910	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1	282552610	ZBLRRSKZRQOOQZ-CYBMUJFWSA-N	316.405	1.947	50	20	DDGD	
CS[C@@H]1CC[C@@H](N(C)S(=O)(=O)CBr)C1	707184972	AMTYCCMKFUYHPX-HTQZYQBOSA-N	302.259	1.885	50	20	DDGD	
CCOC(=O)Oc1ccc(C(=O)NNC(=O)C2CCC2)cc1	800490873	PSDUUZVPXUYMOL-UHFFFAOYSA-N	306.318	1.783	50	20	DDGD	
COCCc1ccccc1NC(=O)NNC(=O)[C@H]1CCCCO1	297924244	VBRYPQAVCVOONV-CQSZACIVSA-N	321.377	1.597	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NC[C@H](CC)OC	291513865	QXBKCDGAPCEOEG-ZDUSSCGKSA-N	323.393	1.383	50	20	DDGD	
COc1cccc(/C=C/C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	294244450	NQCSVJOHAYZEFW-JVQPOWMJSA-N	304.346	1.423	50	20	DDGD	
COC(=O)c1[nH]c(C)c(C(=O)NNc2ncccc2F)c1C	804213914	UESSNKTUOMMACW-UHFFFAOYSA-N	306.297	1.709	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1cnn(CCF)c1	806342153	DBEOSKDXOBIPIO-UHFFFAOYSA-N	315.308	1.409	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2CCN3CCCC[C@@H]23)n1	298737244	NHQMUZVVRWPDEA-STQMWFEESA-N	304.398	1.346	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2C[C@H]2C2CC2)cc1	801108331	GOMSIXMZVCMPBB-STQMWFEESA-N	301.346	1.127	50	20	DDGD	
Cc1cn(-c2ccccc2)nc1C(=O)NNC(=O)[C@@H]1CCCO1	294736826	UOYHEVQZWHZLLG-ZDUSSCGKSA-N	314.345	1.121	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cnc(C2OCCO2)s1	807388724	KLQNQMOHLGPGDY-UHFFFAOYSA-N	306.347	1.649	50	20	DDGD	
C=CCNc1ncc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)s1	295657872	SFLHTUBZQPLVSA-IUCAKERBSA-N	310.379	1.070	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CC[C@H](C)C2)cc1	801109077	ZXXJNMZOXLEMNJ-RYUDHWBXSA-N	303.362	1.517	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(S(C)(=O)=O)c1)C(C)(F)F	293339128	BFCWMIFMKWVRLA-MRVPVSSYSA-N	306.334	1.825	50	20	DDGD	
CC[C@H](C)[C@@H](C)NC(=O)NNc1ccc(-n2ccnc2)nn1	804984252	DEBNGAGWPXZWGM-WDEREUQCSA-N	303.370	1.723	50	20	DDGD	
C[Si](C)(CNC(=O)NNc1ncccn1)c1ccccc1	812212782	INUAYXRZURPDLD-UHFFFAOYSA-N	301.426	1.258	50	20	DDGD	
CCc1nn(C)c(OC)c1C=NNC(=O)c1ccc(Cl)nc1	814809855	PCPXQNUOUSDUQW-UHFFFAOYSA-N	321.768	1.803	50	20	DDGD	
CS(=O)(=O)c1ccc(C=NNC(=O)N=c2cc[nH]cc2)cc1	815001508	MODZLAYCBCBNEV-UHFFFAOYSA-N	318.358	1.063	50	20	DDGD	
CCC[C@@H]1C[C@H]1C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	812638544	SILXHXPRPADAIY-TZMCWYRMSA-N	318.373	1.735	50	20	DDGD	
COCCN1[C@H]2CC[C@H]1CC(=NNC(=O)CC(F)(F)F)C2	814811418	DJSLSXNTHNTIRN-QWRGUYRKSA-N	307.316	1.684	50	20	DDGD	
COC(=O)[C@H]1C[C@H]2CC(=NNC(=O)c3ccc(C#N)cc3)[C@H]1C2	817326671	SZUYGBSAQLSLFP-UBHSHLNASA-N	311.341	1.863	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@](C)(OC)C2CC2)cc1OC	812446483	DVHFALYJWZQXDM-INIZCTEOSA-N	322.361	1.280	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCc2ccon2)cc1	816819538	HTEKSYQCGLUPSO-UHFFFAOYSA-N	303.318	1.142	50	20	DDGD	
CC(C)n1cncc1C=NNC(=O)COc1ccccc1O	819813124	KGGJDWPOVREGJC-UHFFFAOYSA-N	302.334	1.699	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccnc(N2CCCCC2)n1	819144149	BTRYHNGPFUECCO-UHFFFAOYSA-N	303.366	1.028	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1c(F)cccc1N1CCCC1	814956449	XXAHAWRGVCJWQH-UHFFFAOYSA-N	315.352	1.842	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)C(=O)c1cccn1C	813558708	PTYYLIKNOHBFFV-UHFFFAOYSA-N	300.318	1.369	50	20	DDGD	
CC(C)[C@H]1CC(=NNC(=O)[C@H](C)CN2CCOCC2)CS1	814762603	DYCHPZQFUUPALW-TZMCWYRMSA-N	313.467	1.588	50	20	DDGD	
O=C1NCCN(S(=O)(=O)CCl)[C@H]1CC1CCCCC1	817152197	SKCPEQIDDUAQKW-NSHDSACASA-N	308.831	1.283	50	20	DDGD	
CCOc1ccc(NNC(=O)C2CCS(=O)(=O)CC2)cc1	817911008	HWTMWDICKCVQBM-UHFFFAOYSA-N	312.391	1.353	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCc1cccc(OC(F)F)c1	819508118	KKHFFKLWQCYFHO-UHFFFAOYSA-N	316.304	1.139	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](CCO)CC1	817297425	QJATUUXVCLAKIK-UONOGXRCSA-N	313.442	1.053	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1O)c1cc(O)cc(O)c1	814951862	ZIBUBLLXVNVEFH-UHFFFAOYSA-N	316.313	1.723	50	20	DDGD	
Cc1nn(C)c(N)c1C=NNC(=O)c1cccc(OC(F)F)c1	814835345	OAYDCGPNTIVZIY-UHFFFAOYSA-N	323.303	1.676	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2ccn3ccnc3c2)n1	810228406	UAQQRACXELGOLM-UHFFFAOYSA-N	310.317	1.504	50	20	DDGD	
Cn1cc(C=NNC(=O)Cc2cccnc2)c(-c2cccnc2)n1	728786805	ZQXGQQWDKZWDMX-UHFFFAOYSA-N	320.356	1.570	50	20	DDGD	
CC(C)CCOCCNC(=O)NNC(=O)c1cccc(C#N)c1	728950818	FNZSFJPYLYXUGG-UHFFFAOYSA-N	318.377	1.565	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)CCCC1CC1	812452810	LRNNFTXUQNYISX-UHFFFAOYSA-N	300.362	1.984	50	20	DDGD	
Cc1nc(CC(=O)NN=C2CC[C@H](C(=O)O)C[C@@H]2C)cs1	814740414	TVKQJXGBXWNFEO-WPRPVWTQSA-N	309.391	1.987	50	20	DDGD	
CC(C)Oc1ncc(C(=O)NNc2cnnn2C)cc1Cl	816770309	RQUXMEPPDXDWJW-UHFFFAOYSA-N	310.745	1.408	50	20	DDGD	
COc1ccc(OC(F)(F)F)c(C(=O)NNC(=O)N(C)C)c1	825505761	UESDLNIVRZCFGJ-UHFFFAOYSA-N	321.255	1.510	50	20	DDGD	
Cc1cc(C(=O)NN(C)C[C@H](C)O)nn1-c1ccccc1Cl	821218316	YBAADAZIAHYTAJ-NSHDSACASA-N	322.796	1.792	50	20	DDGD	
Cc1ccncc1[C@H](C)NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	826835258	JWIKJCADVJTAAD-SRVKXCTJSA-N	306.366	1.206	50	20	DDGD	
O=C(CC1CC(F)(F)C1)NNC(=O)c1cccc([N+](=O)[O-])c1	823507845	KKAONCNYBQOGLQ-UHFFFAOYSA-N	313.260	1.791	50	20	DDGD	
COc1ccc([C@@H](C)[C@@H](C)NCc2ccc(B(O)O)cc2)cc1	585026490	NSLNDFKPWXUJJF-UONOGXRCSA-N	313.206	1.657	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(OC)cc1OC(F)F	495629683	UZDOKPUPTMIPCU-UHFFFAOYSA-N	304.249	1.640	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H](CN1CCCC1)c1ccccc1	824404491	RCCKGMWCQZVHGV-OAHLLOKOSA-N	318.421	1.605	50	20	DDGD	
CCN(CCO)c1ccc(C=NNC(=O)c2ccc[nH]2)c(C)c1	725854667	VOZRAGBKGICBOQ-UHFFFAOYSA-N	314.389	1.906	50	20	DDGD	
CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)CCc1ccc(OC)cc1	908269659	IWXYIJAELVHUSS-BXUZGUMPSA-N	308.378	1.182	50	20	DDGD	
C[C@@H](CNC(=O)c1ccc(B(O)O)c(F)c1)Cc1cccs1	584949570	FQDNZEVFAAIECN-SNVBAGLBSA-N	321.182	1.176	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(Oc2ccccc2)nc1	823852493	IUNCBANBEOLVHH-UHFFFAOYSA-N	301.346	1.833	50	20	DDGD	
COc1ccc2sc(C(=O)N3CC[C@@H](B(O)O)C3)c(C)c2c1	585074919	DKSYGKPNXKXUKC-SNVBAGLBSA-N	319.191	1.907	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](NC(=O)CC(C)C)c1ccccc1	495693980	WCPGMUSSFYPQLP-CQSZACIVSA-N	321.377	1.619	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc2c(c1)CCNC2=O	824317244	WKHMGFPVHUPYGJ-UHFFFAOYSA-N	304.350	1.171	50	20	DDGD	
COC(=O)[C@H]1CCCCCN1C(=O)/C(C#N)=C\c1cnn(C)c1	828890683	ANRHWSDGSDJEIF-YLHGKKIISA-N	316.361	1.271	50	20	DDGD	
CCC(CC)CNC(=O)NNC(=O)COc1ccccc1O	730827049	FQASMNPGBBDVSJ-UHFFFAOYSA-N	309.366	1.538	50	20	DDGD	
CCOc1cc(C(=O)NN(C)[C@@H](C)CO)cc(Cl)c1O	823988424	RYSWZJZCLRYTNI-QMMMGPOBSA-N	302.758	1.402	50	20	DDGD	
CCCCCOC1CN(C(=O)/C(C#N)=C/c2cnn(C)c2)C1	491128852	FTUQVQNFHUUYID-VGOFMYFVSA-N	302.378	1.745	50	20	DDGD	
O=C1Nc2cc3c(cc2C1=NNC(=O)C1CCC1)OCCO3	731933825	ODYFNWGITDKABL-UHFFFAOYSA-N	301.302	1.030	50	20	DDGD	
C/C=C(/C=C\C(=O)NNC(=O)CNC(=O)OC(C)(C)C)CC	492398770	MPIOOUCFGYTKML-XSONURMYSA-N	311.382	1.571	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@]2(C)CCO[C@@H]2C2CC2)cn1	491081659	HIODXXKKYNJMCN-WFIKUFSXSA-N	314.389	1.648	50	20	DDGD	
C=CC(=O)NCc1ccc(C(=O)NNc2ncncc2F)cc1	490703272	FARIRNGMSNZOPS-UHFFFAOYSA-N	315.308	1.175	50	20	DDGD	
COC[C@@H](CNC(=O)NNc1c(C)cccc1Cl)OC	838541938	PAMGMJWHCHNLNU-SNVBAGLBSA-N	301.774	1.936	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNC(=O)c1cc2ccccc2o1	839701761	QJSXQJNLGMEOLD-NSHDSACASA-N	317.345	1.341	50	20	DDGD	
COc1ccc(OCC(=O)NN=C(C)Cc2cnccn2)cc1	834922957	RKIMHLBZMLSKRG-UHFFFAOYSA-N	314.345	1.599	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNc1ccncn1)c1ccnn1C	836420935	SASFPJDINJDDPU-NSHDSACASA-N	303.370	1.276	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccccc1N1CCOCC1	732142880	LOVZFCWZQQWNKK-UHFFFAOYSA-N	303.362	1.084	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc2c(n1)CCC2	831854832	DUIIUQCFFSHVQN-MWLCHTKSSA-N	304.350	1.148	50	20	DDGD	
CC(C)(C)c1ccc(/C=C\C(=O)NNC(=O)c2ncon2)cc1	832825979	NQKMQMKQDXRCML-TWGQIWQCSA-N	314.345	1.842	50	20	DDGD	
CO[C@H]1C[C@@H](NC(=O)NNc2nc3ccccn3n2)C12CCC2	838770490	XLBTXOBFNPJIPL-MNOVXSKESA-N	316.365	1.313	50	20	DDGD	
CCSc1ccccc1C(=O)NNC(=O)c1c[nH]nc1C	732084115	MHIZOQWQZMTMMF-UHFFFAOYSA-N	304.375	1.905	50	20	DDGD	
CCc1ccc(C=NNC(=O)Cc2cc(O)nc(S)n2)cc1	730587075	HMSKGWVTAJDGQM-UHFFFAOYSA-N	316.386	1.726	50	20	DDGD	
OB(O)c1ccc(CNCCc2nc3c(s2)CCCC3)cc1	585032356	UCMLFNHVGHCDME-UHFFFAOYSA-N	316.235	1.034	50	20	DDGD	
CCN(CC)C(=O)CCCNC(=O)[C@@]1(C)C[C@@H]1Br	906179733	XQYWPIHXLAGACT-GWCFXTLKSA-N	319.243	1.925	50	20	DDGD	
CC(C)CN1CCN(C(=O)[C@]2(C)C[C@H]2Br)CC1=O	907542332	YWKSWDQVWXSHLI-ZWNOBZJWSA-N	317.227	1.487	50	20	DDGD	
Cc1ccc(N2CCN(S(=O)(=O)CCl)CC2)cc1C	830967391	SGOFPEZTIGHOHW-UHFFFAOYSA-N	302.827	1.952	50	20	DDGD	
CN(C(=O)c1ccc(B(O)O)c(F)c1)[C@H]1CCC[C@H]1C(C)(C)C	585001461	XRIHXLAQCHXRBS-DOMZBBRYSA-N	321.201	1.792	50	20	DDGD	
C[C@H]1CC[C@@H](CNC(=O)NNC(=O)c2c[nH]c3ccccc23)O1	838741658	NXANOZKBUVIDGF-QWRGUYRKSA-N	316.361	1.679	50	20	DDGD	
CCN(CC)C(=O)C1(NS(=O)(=O)CCl)CCCCC1	830150700	MAJCSQNNPFQJDD-UHFFFAOYSA-N	310.847	1.673	50	20	DDGD	
CC(C)N1CC[C@@H](NC(=O)NNc2cccc(C(=O)O)c2)C1=O	833500736	SQXCFNTYBYRHQL-GFCCVEGCSA-N	320.349	1.020	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)[C@H]1CCCC[C@H]1C	834960573	UXNCOLVRUOEQNU-SKDRFNHKSA-N	306.366	1.749	50	20	DDGD	
CC(=NNC(=O)c1ccnc(N(C)C)c1)c1cncc(F)c1	737431375	GLPNRWOXPRDTRO-UHFFFAOYSA-N	301.325	1.836	50	20	DDGD	
OB(O)c1ccc(CNCCCCOc2ccc(F)cc2)o1	585018328	UWRUAXCFNXSYFA-UHFFFAOYSA-N	307.130	1.047	50	20	DDGD	
COC(=O)c1cc(NNC(=O)N[C@H](C)C[C@@H](C)N)ccc1F	831223722	HNYITWVVKFSWRB-RKDXNWHRSA-N	312.345	1.364	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)NC1CCN(C(=O)O)CC1	831742737	PHLQUILDFJYWTI-UHFFFAOYSA-N	313.745	1.504	50	20	DDGD	
CCn1cc([C@@H](C)N[C@H](C)C(=O)NNC(=O)CC(C)C)cn1	832313316	HZIMIVLOZJAFSE-VXGBXAGGSA-N	309.414	1.136	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCCOCc1ccccc1	916211159	KYXGUDCAONBGFG-UHFFFAOYSA-N	307.394	1.970	50	20	DDGD	
CCn1cc(CC(=O)NNc2ccc(F)c(C(=O)OC)c2)cn1	837036265	LNOHTNQUJIEBOU-UHFFFAOYSA-N	320.324	1.515	50	20	DDGD	
O=C(CCOc1ccccc1)NN[C@@H](C(=O)O)c1ccccc1	738458448	MUONDNZUDKXVLY-MRXNPFEDSA-N	314.341	1.902	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(N(C)C)n1	831578730	SYHJODDINGCKMU-WDEREUQCSA-N	321.381	1.034	50	20	DDGD	
COCCN(C)CCNC(=O)NNc1c(C)cccc1Cl	838203410	GJVNLEZSEVZADM-UHFFFAOYSA-N	314.817	1.853	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)C1=NO[C@@H](c2ccccc2)C1	833255566	GHOQYMGKLGBQMI-UONOGXRCSA-N	317.345	1.221	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc(C(=O)OC)cc1	916355388	SEVGIOZMCCMMBQ-UHFFFAOYSA-N	305.378	1.655	50	20	DDGD	
CN(CCCCNC(=O)NNc1cncc(Cl)n1)C1CC1	838733302	NDTHQRIARDRUHG-UHFFFAOYSA-N	312.805	1.631	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC[C@H]2CC[C@@H](C)O2)cc1	838741691	OCGMMICFDMKRGI-TZMCWYRMSA-N	321.377	1.272	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccnc(-c2ccc(Cl)cc2)n1	910156291	LHCXFZASDZNAAI-JTQLQIEISA-N	320.780	1.754	50	20	DDGD	
COC/C(C)=C\C(=O)Nc1cccc(NC(=O)NN(C)C)c1	846033730	MUQHRAPTISSVNW-FLIBITNWSA-N	306.366	1.816	50	20	DDGD	
CCCCNC(=O)NNC(=O)C[C@H](c1ccccc1)N(C)C	841383000	HBBTWXZDSXOBGX-CQSZACIVSA-N	306.410	1.810	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCC(=O)c1ccc2c(c1)CCC2	910178620	NRGFONZAYOCQQX-GFCCVEGCSA-N	304.390	1.482	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H](C)[C@H](C)S(C)(=O)=O)cc1	841438090	GDRRELIMAOIMIX-MNOVXSKESA-N	314.407	1.598	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCCS(=O)(=O)C1CC1	840447547	FTXGFFWMSKGYID-UHFFFAOYSA-N	315.370	1.337	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1ccc2c(c1)CCC(=O)N2	842559559	WBIGXAHDVKUIIH-RISCZKNCSA-N	315.373	1.837	50	20	DDGD	
CC[C@@H](OC1CCCCC1)C(=O)NNC(=O)c1ncccn1	841350381	KLPTUBNILNABHP-GFCCVEGCSA-N	306.366	1.366	50	20	DDGD	
COCc1ccccc1C(=O)NNc1ccnc(N(C)C)n1	740113952	MJVOLBZBLIOPBO-UHFFFAOYSA-N	301.350	1.446	50	20	DDGD	
CC(=NNC(=O)Cn1nnc(-c2ccccc2)n1)c1ccc[nH]1	915907452	OPIWXBANBWCXFA-UHFFFAOYSA-N	309.333	1.209	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCO[C@H](c2ccccc2)O1)C1CCC1	847482192	RJHFVFYMCGTBFJ-BBRMVZONSA-N	304.346	1.438	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H](C)Cc2ccncc2)n1	749617751	ASHKYCGYMINNTP-GFCCVEGCSA-N	300.366	1.746	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)OC[C@@H](O)C(C)C)cc(C#N)n1C	849673753	ZEGMQKJNOVPGCS-DTHCKZEYSA-N	301.346	1.672	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)[C@@H]1CCCCS1	848322290	WBICXUSYQCHDMX-QMMMGPOBSA-N	317.212	1.968	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=S)Nc1ccc(Cl)nc1	843276935	KZQUFHWSKWUKEW-CBAPKCEASA-N	314.798	1.478	50	20	DDGD	
O=C1CCc2ccc(S(=O)(=O)NNC(=O)C3CCCC3)cc21	848449141	BLQDSFNWXQUFDT-UHFFFAOYSA-N	322.386	1.315	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2cccc([N+](=O)[O-])c2)CCN1C	745859166	YGEJTZYEQRXEIY-WDEREUQCSA-N	307.354	1.704	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)C2CC2)CC[C@H]1c1ccccc1	741807960	NNMLOKNCXBEUIS-CZUORRHYSA-N	315.417	1.669	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(Br)nc2)ncn1	746689309	JJDRAXIAYGOZQQ-UHFFFAOYSA-N	308.139	1.699	50	20	DDGD	
CC(C)(C)OC(=O)c1ccc(C(=O)NNc2cccnn2)cn1	845937078	PACKAKWDKSBDNN-UHFFFAOYSA-N	315.333	1.584	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccn(-c2ccccc2)n1	843641483	CJPUMGQKYFNEPF-DGCLKSJQSA-N	314.345	1.058	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNC(=O)c1ccccc1F)C(=O)O	848587348	FQHJPNVYAHJXRR-SNVBAGLBSA-N	311.313	1.127	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CCCC[C@H]2F)cc1	840440309	YHAUKYMJIAZKGU-ZIAGYGMSSA-N	323.368	1.985	50	20	DDGD	
COC(=O)c1cc(NNC(=O)N[C@H]2CCC[C@@H](N)C2)ccc1F	841981075	PSCRVZKRPCLWJC-ZJUUUORDSA-N	324.356	1.508	50	20	DDGD	
Cc1cc(F)c(C(=O)NNC(=O)NCC(F)(F)F)c(F)c1	847116608	PCOLUAFBWGQDRN-UHFFFAOYSA-N	311.210	1.780	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1C[C@H](OCC(C)C)C1(C)C	748260043	OTUZPAVHGRVVHR-OCCSQVGLSA-N	314.426	1.981	50	20	DDGD	
O=C(CNC(=O)NNC(=O)C1CCCC1)Nc1cccc(F)c1	747984975	ZBHSEGXJPBIALW-UHFFFAOYSA-N	322.340	1.285	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2ccc(OC)o2)n1	848372340	OLQHFZLHDLMNKH-UHFFFAOYSA-N	305.338	1.681	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1cc(C(=O)O)ccc1C	842562932	ZXJAAYNGNWFFFV-AAEUAGOBSA-N	304.346	1.958	50	20	DDGD	
O=C(NNc1ncccn1)[C@H](C[C@@H]1CCCO1)C(F)(F)F	845164492	ZOYBTTOUDAXBNL-IUCAKERBSA-N	304.272	1.667	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1c(CO)noc1C)c1ccccc1	847482596	XSZYLEXMYGYMJO-GFCCVEGCSA-N	317.345	1.430	50	20	DDGD	
Cc1nn(C)c(C)c1[C@H](C)C(=O)NNC(=O)NC1CCCCC1	746819823	CTQKWMXDAIWBCL-JTQLQIEISA-N	321.425	1.804	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)c1ccc2nnnn2c1	748797567	UBKBAPKWVJTDFH-UHFFFAOYSA-N	308.223	1.299	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC2(N(C)C)CC2)c1C	922987959	MPOSZKRQQUNHAH-UHFFFAOYSA-N	320.393	1.502	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1occc1Br	843653680	OBQUOIJTAOMECV-RNFRBKRXSA-N	317.139	1.228	50	20	DDGD	
CCNCCCNC(=O)NNc1ccc2c(=O)[nH]ccc2c1	841918242	VSDHEDKXHCJVQH-UHFFFAOYSA-N	303.366	1.154	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2ccc(F)cc2F)n1	746754862	MJFRQYCMFMFFMA-UHFFFAOYSA-N	323.303	1.898	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cccc2c1OCCCO2	842553219	FWLIOIDQPPNCRC-AAEUAGOBSA-N	304.346	1.723	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCO[C@@H](C(F)(F)F)C1	866851799	ATXCQVAICZRHAD-MRVPVSSYSA-N	323.764	1.844	50	20	DDGD	
CCC[C@H](O)C(=O)NNC(=O)Cc1cccc2ccccc12	929614244	OPIZTGUPEIXTGG-HNNXBMFYSA-N	300.358	1.691	50	20	DDGD	
COCn1ccc(C(=O)NNc2ncnc(Cl)c2C(C)C)n1	854943324	IBNSHXJGPYLFLQ-UHFFFAOYSA-N	324.772	1.811	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H](C)c1nccn1C	856277555	LUWPTLICGLIVEH-SNVBAGLBSA-N	309.801	1.963	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(F)cc1OC(F)F	756773738	CBTKHMMCGLSXSO-UHFFFAOYSA-N	307.228	1.226	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1conc1C1CC1	854284745	WUWXGZRVQJZAFD-UHFFFAOYSA-N	312.395	1.040	50	20	DDGD	
Cn1c(O)nc2ccc(C(=O)NNc3ncc(F)cc3F)cc21	857533323	SMHZKUFYCLEXSI-UHFFFAOYSA-N	319.271	1.709	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cccc(N2CCCCC2=O)c1	755693045	IDCWTLCFRKBLDI-UHFFFAOYSA-N	304.350	1.766	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@H](NC(=O)NNc2ncc(Cl)cn2)C1(C)C	856880301	BJXBSSFIUANQKE-UJNFCWOMSA-N	313.789	1.816	50	20	DDGD	
C[C@H](O[C@H](C)C(=O)NC[C@]1(C)C[C@H]1Br)C(=O)O	856717254	DVKYXYJRWZZKNT-UVMAFCGOSA-N	308.172	1.154	50	20	DDGD	
CO[C@@](C)(C(=O)O)C(=O)NNc1ccccc1C(F)(F)F	852951788	ZGYXOCCPBAJEEP-LLVKDONJSA-N	306.240	1.638	50	20	DDGD	
Cn1ccc(CNC(=O)NC[C@@]2(C)C[C@@H]2Br)c1	856838607	LWGXWWUNXVPWQQ-CMPLNLGQSA-N	300.200	1.998	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=O)c2cccc(F)n2)C1	857870863	IRZKBYLALLIVOA-WPRPVWTQSA-N	317.324	1.071	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C(C)C)c1OC(F)F	920498847	GXKDGOLGWFIFIO-UHFFFAOYSA-N	302.277	1.714	50	20	DDGD	
Cc1nc(C)c(CCC(=O)NNc2ccc(Cl)cn2)c(O)n1	857330585	UULSNLWEJNCUOX-UHFFFAOYSA-N	321.768	1.923	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccccc1[S@@](=O)C(F)(F)F	929189101	NCJUEKCIDGOYRA-OAQYLSRUSA-N	324.280	1.705	50	20	DDGD	
C[C@@]1(CNC(=O)NCCC2(CO)CC2)C[C@@H]1Br	856959878	ZBCJXMJVZURXLC-ONGXEEELSA-N	305.216	1.622	50	20	DDGD	
Cc1cn2ccnc(C(=O)NC[C@@]3(C)C[C@@H]3Br)c2n1	857391123	LLMNMQVYXASRMM-TVQRCGJNSA-N	323.194	1.941	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H]1c1ccccc1C	850045479	WFZKITCCHFWAHD-FPMFFAJLSA-N	318.373	1.588	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)Nc2cc(F)cc(F)c2)C1	858981135	BMELDHWNKWFSRZ-XYPYZODXSA-N	314.292	1.478	50	20	DDGD	
CC(=O)c1ccc(CC(=O)NNC(=S)NCC2CCC2)cc1	855092173	TZBBCVCKVXSBFS-UHFFFAOYSA-N	319.430	1.727	50	20	DDGD	
CO[C@@H](C)CNC(=O)NNC(=O)c1ccc(Cl)cc1F	852530629	LZTQBNYUPMYKON-ZETCQYMHSA-N	303.721	1.458	50	20	DDGD	
CC1(C)CN(C(=O)NC[C@]2(C)C[C@@H]2Br)CCN1	857105644	OWEGPURCDCNSSR-CABZTGNLSA-N	304.232	1.553	50	20	DDGD	
O=C(NN=Cc1c(C2CC2)nc2sccn12)N1CCOCC1	755673803	UJOVZGOCHILMPQ-UHFFFAOYSA-N	319.390	1.649	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)C(C)(C)C)c1nc(C)cs1	754321780	AUTDCSDPZLAZSP-SNVBAGLBSA-N	312.439	1.686	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C=C1CCSCC1	854283364	SMYPNENJBRYITH-UHFFFAOYSA-N	317.480	1.314	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)Cc2csc(C)n2)c[nH]1	753162515	OPCNVGTXXRSBSW-UHFFFAOYSA-N	306.347	1.259	50	20	DDGD	
O=C(NN=C1CCc2c(F)cccc21)[C@@H]1CCS(=O)(=O)C1	921259104	WNKDNCSZVBWRDA-SECBINFHSA-N	310.350	1.027	50	20	DDGD	
CC(C)(O)C1CN(C(=O)NC[C@]2(C)C[C@H]2Br)C1	856955616	PXGYWEXZBVBKAK-SKDRFNHKSA-N	305.216	1.572	50	20	DDGD	
CC(C)(C)OC(=O)C1(C(=O)NNC(=O)CC2CC2)CC=CC1	854668183	YGUZMJPZLGDCHP-UHFFFAOYSA-N	308.378	1.612	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(Cl)cn1)c1nnnn1C1CC1	852277449	NPSVECUUAFBMLJ-SSDOTTSWSA-N	322.760	1.444	50	20	DDGD	
COC(=O)[C@H]1C[C@H]2CC(=NNC(=O)c3cccc(F)n3)[C@H]1C2	853444667	RJHCPAOWMJZZBX-GUBZILKMSA-N	305.309	1.526	50	20	DDGD	
CCn1cnc(C(=O)NNC(=O)COc2ccc(C)cc2)c1	854212495	MSRYMDCBIWRANT-UHFFFAOYSA-N	302.334	1.051	50	20	DDGD	
COc1cncc(C=NNC(=O)CNC(=O)OC(C)(C)C)c1	853328594	KYUCVOWQLQJNEK-UHFFFAOYSA-N	308.338	1.065	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCc1nnc2n1CCC2	853269293	NTWJMHJENOPGIT-UHFFFAOYSA-N	304.329	1.498	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)c2c(C)nc3ccccn23)O1	756906430	FOBJFNBQCWHEGA-NWDGAFQWSA-N	316.361	1.361	50	20	DDGD	
CC1CC(NC(=O)NNC(=O)Nc2ccc(N(C)C)cc2)C1	753023052	SADMXSHNVQBICN-UHFFFAOYSA-N	305.382	1.887	50	20	DDGD	
C/C(=C\C1CCC(C)CC1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1	869386072	WMPVIQJSCOARPZ-JVNUJDNTSA-N	307.394	1.185	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccncc1)c1cccc([N+](=O)[O-])c1	761384947	JOKVEIRYQPXWJC-JTQLQIEISA-N	314.301	1.555	50	20	DDGD	
Cc1csc(CCC(=O)NNC(=O)Cc2ccncc2)n1	766764901	LQMBLNKNOOJCQP-UHFFFAOYSA-N	304.375	1.169	50	20	DDGD	
CCOc1ccc(C(=O)NN=C2C[C@H](C)N(C)C2)cc1OC	761805976	ZGKOQOPPGIKZIH-NSHDSACASA-N	305.378	1.904	50	20	DDGD	
CCC1(CC)C(=NNC(=O)[C@H](C)OCCOC)C[C@H]1OC	762601713	ADJRWQNQUODYDA-WCQYABFASA-N	300.399	1.735	50	20	DDGD	
Cc1ccc2c(c1)N(C(=O)C(=O)NNC(=O)CC(C)C)CC2	763882317	NBWFKKIDKUHODC-UHFFFAOYSA-N	303.362	1.078	50	20	DDGD	
O=C(COC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)NC1CC1	769982300	NNTGHESJEJAMHC-IYYTYJHQSA-N	316.195	1.762	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2	769150052	JDZZMGXNXDIQDN-UHFFFAOYSA-N	304.350	1.269	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CCc2ccc(C)s2)n[nH]1	869018122	ZVUYIFZSKDUSMN-UHFFFAOYSA-N	306.391	1.411	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNC(=O)CC(F)(F)F)(CC1)C2	760812231	KELUTYVDOODWHZ-UHFFFAOYSA-N	322.283	1.210	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccc(-c2csnn2)cc1	764653802	MYJIQSMWGTYUNZ-UHFFFAOYSA-N	303.347	1.768	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)C(=O)N2CCC[C@H](C)C2)o1	767781269	WEMQXZDYOVUKBN-JTQLQIEISA-N	319.365	1.371	50	20	DDGD	
Cn1nccc1CCNC(=O)[C@H](Br)C(C)(C)C	768447406	LHNUJTMZYVMCBC-JTQLQIEISA-N	302.216	1.888	50	20	DDGD	
CC[C@@H](CC1CCCCC1)C(=O)NNC(=O)COCCOC	869909603	CUCFNVJJEPGQDM-AWEZNQCLSA-N	314.426	1.793	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1cncc(Cl)n1	760816833	WPECHTMJWFWKFB-UHFFFAOYSA-N	317.696	1.332	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2cncnc2)cc1C	760801464	UXDJUMUBDZVAMN-UHFFFAOYSA-N	301.375	1.725	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)Nc1cc(C(N)=O)[nH]n1	768275371	LANAJFUNSSDOJV-SSDOTTSWSA-N	303.160	1.257	50	20	DDGD	
CCC(C#N)(CC)C(=O)NNC(=O)CSc1ccccc1O	860492262	QLMMYMDJSCZCHO-UHFFFAOYSA-N	321.402	1.962	50	20	DDGD	
C[C@H](NC(=O)NNCC(F)(F)C(F)(F)F)C(F)(F)F	861183469	IYLGTGKQARTDPS-VKHMYHEASA-N	303.153	1.939	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCCCN1C[C@H](C)C[C@@H](C)C1	875079937	BBENEWRDGVQWAX-CHWSQXEVSA-N	314.430	1.657	50	20	DDGD	
COc1ccc(O)c(C=NNC(=O)c2n[nH]c3c2CCCC3)c1	1115823963	GPNYUYFOJWKYMN-UHFFFAOYSA-N	314.345	1.767	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)COc1cc(C)ccc1C	772851228	HLDDEJBUNTTYEG-UHFFFAOYSA-N	316.361	1.360	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc(N2CCCC2)cc1	1116512837	DGWLZVFODOCJSL-UHFFFAOYSA-N	304.350	1.093	50	20	DDGD	
COC1(C(=O)NNC(=S)Nc2ccccn2)CCCCC1	874956095	KVAADFXWQUAASD-UHFFFAOYSA-N	308.407	1.749	50	20	DDGD	
CS(C)(=O)=Nc1ccccc1NC(=O)NNC(=O)C1CCC1	879808920	LDMONRCUZFEEPW-UHFFFAOYSA-N	324.406	1.999	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CO[C@H]1CCCC[C@@H]1C	772132282	KPMQRFPPLUQYOH-SRVKXCTJSA-N	314.382	1.071	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](C)CN(C)Cc1ccccc1	875463855	YDYDNTUMZJXYOE-GFCCVEGCSA-N	308.382	1.419	50	20	DDGD	
CNC(=O)C1CCC(NC(=O)NNc2cccc(C)n2)CC1	875176505	RJDBYGYIVPSDFI-UHFFFAOYSA-N	305.382	1.321	50	20	DDGD	
COC(=O)c1csc(NC(=O)NNc2ncc(F)cn2)c1	775674054	WLGAYRCLNXUQQZ-UHFFFAOYSA-N	311.298	1.612	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)c2cccnn2)c(C)c1OC	1119357076	BXDUVZAFELCGHY-UHFFFAOYSA-N	314.345	1.956	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)cc[nH]1	875293843	OCIIDCUUPOOHQH-CHWSQXEVSA-N	319.409	1.085	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCc1cnccn1	775505192	HURNPJOJTRVELT-UHFFFAOYSA-N	307.785	1.501	50	20	DDGD	
N#CSCCCNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1	773589532	YGONKKBTBVZXQR-CYBMUJFWSA-N	324.450	1.635	50	20	DDGD	
COc1ncccc1NC(=O)NNc1cc(Cl)nc(N)n1	776298488	NXIOLNWUXVAKJO-UHFFFAOYSA-N	309.717	1.264	50	20	DDGD	
O=C(NNC(=O)c1ccc2ccccc2n1)c1csc(O)n1	771606507	QYHNDAAUSGXPJM-UHFFFAOYSA-N	314.326	1.472	50	20	DDGD	
Cc1cc(C)c(OCC(=O)NNC(=O)c2cccnn2)c(C)c1	882062325	HVGPGBOKOGYHMA-UHFFFAOYSA-N	314.345	1.242	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC[C@@H](Cc2nc(C)no2)C1	887637534	VKKRENIPBSSBOL-CVCOIXHCSA-N	304.350	1.603	50	20	DDGD	
COc1ccc(C=NNC(=O)Cn2c(C)nc3ccccc32)cn1	780196172	KMJLXJQLTHPUBN-UHFFFAOYSA-N	323.356	1.899	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1c(C)cccc1SC	784915356	BBBBMQUMWMOZQO-UHFFFAOYSA-N	324.406	1.348	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C\c1cc(Br)nn1C	782351576	LPEVPBDYOYETES-UITAMQMPSA-N	318.196	1.872	50	20	DDGD	
Cc1ccnc(-n2nccc2NC(=O)NNc2cnccn2)c1	788298850	DCJJIIAQRCEZFK-UHFFFAOYSA-N	310.321	1.514	50	20	DDGD	
COCCn1cc(C(=O)NNc2cc(Cl)nc(C)n2)c(C)n1	782855063	ZHVBBAWJUUVOBX-UHFFFAOYSA-N	324.772	1.347	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@](C)(OC)c1ccccc1F	887148320	XFFALWWYTLLMCU-MRXNPFEDSA-N	306.337	1.638	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(Cn3cncn3)cc2)n1	780770095	CXPWXCSNLSWSRB-UHFFFAOYSA-N	324.344	1.487	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)c1cccc[n+]1[O-]	787432704	UZJCVBUYNWKZPR-UHFFFAOYSA-N	320.736	1.118	50	20	DDGD	
C[C@@H](CN1CCOCC1)NC(=O)[C@@H](Br)C(C)(C)C	781075429	UCQSKHPDUVRMJM-WDEREUQCSA-N	321.259	1.633	50	20	DDGD	
Cc1c[nH]cc(C(=O)NNC(=O)c2cc3ccccc3o2)c1=O	781429765	QTIMHTPMAXMYOA-UHFFFAOYSA-N	311.297	1.504	50	20	DDGD	
C=C[C@H](CC)CC(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1	891767218	DREWWGFEMPGWQB-MGPQQGTHSA-N	311.426	1.235	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)NOC[C@@H]1CCOC1	788126146	SVKBCVXFYQTUIS-MRVPVSSYSA-N	309.351	1.286	50	20	DDGD	
O=C(NC[C@@H]1C[C@@H]2CC[C@H](C1)N2)NNc1ccc(Cl)nn1	892606550	IDLRCYWXJIKIMJ-ILWJIGKKSA-N	310.789	1.287	50	20	DDGD	
CC(=NNC(=O)NCC1CC1)c1ccc(N2CCNC2=O)cc1	782215827	VMIXYRVZAJKAFF-UHFFFAOYSA-N	315.377	1.649	50	20	DDGD	
CSCCNC(=S)NNC(=O)CCc1cncc(C)c1	794412012	GHDMLIMOJRQDFF-UHFFFAOYSA-N	312.464	1.181	50	20	DDGD	
CC(C)n1nccc1C=NNC(=O)COc1ccc(C#N)cc1	794471936	IZGHZYMHHOKVIJ-UHFFFAOYSA-N	311.345	1.865	50	20	DDGD	
CC1CCC(OCC(=O)NNC(=O)c2cccc(C#N)c2)CC1	793417662	DNASWOOLBQVMFU-UHFFFAOYSA-N	315.373	1.915	50	20	DDGD	
C[C@H]1CC[C@@H](CNC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	793465335	UFRYHOAXEPACGH-WDEREUQCSA-N	320.349	1.975	50	20	DDGD	
Cc1nc2ccc(C(=O)NNc3ncc(F)cn3)cc2n1C	793750073	UDPMRRBOSKKAGG-UHFFFAOYSA-N	300.297	1.568	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2cncn2C)c2ccccc2n1	799011044	YGCFTANNQDPYKU-UHFFFAOYSA-N	323.356	1.280	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2ccc(C3CC3)nn2)n1	797636152	JQJKTCHUBZDVCY-UHFFFAOYSA-N	312.333	1.524	50	20	DDGD	
CSSCCNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1	790771534	UQDHDHFAZOUSJN-MRVPVSSYSA-N	317.402	1.933	50	20	DDGD	
CCSc1ccc(C(=O)NNC(=O)c2cccc(C)n2)cn1	794081580	JNLOMDNDXSNAKH-UHFFFAOYSA-N	316.386	1.972	50	20	DDGD	
Cn1ncc2c1C[C@@H](C(=O)NN=c1cc[nH]c3ccccc13)CC2	799101340	YQBDIUYAYTULKA-LBPRGKRZSA-N	321.384	1.638	50	20	DDGD	
C[C@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)CBr	796114610	MPWWQVBTWSSAIT-VHSXEESVSA-N	311.245	1.227	50	20	DDGD	
CCn1nc(C(C)C)cc1C(=O)NNc1ncnc2[nH]cnc12	1318835084	COCOFMXAJNDMLA-UHFFFAOYSA-N	314.353	1.450	50	20	DDGD	
CC(C)c1ncc(C(=O)NNC(=O)Cc2ccc(F)cc2)[nH]1	1318644641	NCFFDRFZJZYFKB-UHFFFAOYSA-N	304.325	1.676	50	20	DDGD	
Cc1cncc(C(=O)NNC(=O)c2cncn2-c2ccccc2)c1	1318851000	PSQXYHINVJIPDQ-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
Cc1ccc(C[C@H](C)NC(=O)NNC(=O)C2CCNCC2)s1	1325366896	RLDFKIGYDKPOQN-JTQLQIEISA-N	324.450	1.318	50	20	DDGD	
CN(CCC(F)(F)F)C(=O)NNC(=O)c1cccc(C#N)c1	1326430468	MFPPXJOUCPVDEK-UHFFFAOYSA-N	314.267	1.797	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1ccc(C(C)(C)C)nn1)[C@@H]1CCCO1	1320507232	UCWNKRMAANAPBV-NEPJUHHUSA-N	317.393	1.581	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1c(C)ccnc1O	1320031774	SEDXOYGNPGFILW-UHFFFAOYSA-N	301.302	1.179	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2cccnn2)CN1Cc1ccccc1	1330908284	MAYMSMQRVXIQFS-ZDUSSCGKSA-N	309.373	1.857	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@H](c1ccccc1)C1CCCC1	1339818768	NTYVNLPGCLMCFL-CYBMUJFWSA-N	319.361	1.421	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@]1(C)CC(C)=NO1	1338995718	JNSUEIHIQMNAJF-AWEZNQCLSA-N	309.297	1.610	50	20	DDGD	
CC(C[C@@H]1CCCN1C(=O)OC(C)(C)C)=NNC(=O)CCO	1253303960	MBNYSVPLYWPNMX-LBPRGKRZSA-N	313.398	1.651	50	20	DDGD	
CCCCn1nc(C)c(C=NNC(=O)C(=O)OC)c1Cl	1339878712	CVMXAUNFUHZBGK-UHFFFAOYSA-N	300.746	1.268	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cnc(Cl)cn2)cc1	1344583239	UJAIQQKUZPUFEF-UHFFFAOYSA-N	306.709	1.213	50	20	DDGD	
O=C(NCCN1CCc2ccccc21)NNc1ncncc1F	1340807542	YDHHMFCOJKXVBC-UHFFFAOYSA-N	316.340	1.305	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]1F)c1ccc(COc2ccccc2)o1	1518771663	AQXCIDHYTOZLDC-QWHCGFSZSA-N	318.304	1.978	50	20	DDGD	
Cc1oc(C=O)cc1C(=O)NNc1ccc(F)c(C(=O)O)c1	1600840470	OHANTQBXKBQLRH-UHFFFAOYSA-N	306.249	1.995	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)c1cncc(Cl)n1	1601557087	QLAPYRWGJSUJDA-UHFFFAOYSA-N	310.672	1.724	50	20	DDGD	
Cn1ncc(C2CC2)c1C(=O)NNc1ccc(F)c(C(=O)O)c1	1608157286	XLGMRDHRZBVKKS-UHFFFAOYSA-N	318.308	1.892	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@]2(C)CCCO2)cc1C(=O)O	1607804759	KPEMWUSLBIAAHF-HNNXBMFYSA-N	321.333	1.415	50	20	DDGD	
COc1c[nH]c(C(=O)NNc2cccc(C(=O)O)c2C)cc1=O	1607045853	DUOSTWKLCVVERN-UHFFFAOYSA-N	317.301	1.147	50	20	DDGD	
O=C(NN[C@@H](C(=O)O)C1CC1)c1cccc(C(F)(F)F)c1	1608479595	ORRYPQSGXROFPM-SNVBAGLBSA-N	302.252	1.803	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)Nc2cnn(CCF)c2)cc1	1608781121	OZGUEOONZDCATH-UHFFFAOYSA-N	321.312	1.628	50	20	DDGD	
O=C(C[C@@H]1COC(=O)C1)NNc1ccc(C(=O)O)c(Cl)c1	1608296026	AGTRFYYQGDKIGW-ZETCQYMHSA-N	312.709	1.435	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)N[C@@H]1CC[C@H]2CC[C@H]1OC2	1601559876	ZRCJENWABFZJGI-ZLKJLUDKSA-N	319.361	1.969	50	20	DDGD	
Cc1cc(C=NNC(=O)c2ccc(O)c(O)c2)[nH]c1C(=O)O	1607633042	AHGSVEWZMRHCSA-UHFFFAOYSA-N	303.274	1.196	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H]2C[C@@H](C)O[C@H]2C)cccc1C(=O)O	1600051857	XIKDVRLZLCLDEX-DFAYQTQMSA-N	307.350	1.885	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CC(C)(C)CC(=O)O)cc1	1610510721	SXYCYFCTVKYHES-UHFFFAOYSA-N	321.377	1.445	50	20	DDGD	
COc1cccc(F)c1C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549312161	CMJIYCBYNKUORV-NHYWBVRUSA-N	321.352	1.148	50	20	DDGD	
CN(C)Cc1ccc(C(=O)NN=Cc2cc(C(=O)O)n(C)c2)o1	1610102069	XPBNVMARYOCSLC-UHFFFAOYSA-N	318.333	1.142	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)S)C2	1800077470	OFSGSNHBUUJBMH-RMPHRYRLSA-N	318.870	1.960	50	20	DDGD	
CCCNNC(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C	1577574884	WZUZQZHESBTJKU-SNVBAGLBSA-N	305.444	1.664	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H]2CCC[C@@H](N)C2)c1	1579772767	KUHAOXAVVCNBDW-CHWSQXEVSA-N	305.378	1.039	50	20	DDGD	
CC(=NNC(=O)CCc1ccco1)c1cccc(-c2nn[nH]n2)c1	1588775655	BMMBMBOFOOZCDY-UHFFFAOYSA-N	324.344	1.933	50	20	DDGD	
COc1ccccc1NNC(=O)[C@@H]1CO[C@H](CCC(=O)O)C1	1594145953	GSEBHJXADLDSLC-WDEREUQCSA-N	308.334	1.408	50	20	DDGD	
Cc1cc(C=NNC(=O)N=c2cc[nH]cc2)ccc1-c1nn[nH]n1	1591958938	UKHGSKVVXXBTFH-UHFFFAOYSA-N	322.332	1.148	50	20	DDGD	
CCC/C=C\[C@@H](O)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1590569059	MJKIMCLLWQBZLR-QMAVJUDZSA-N	302.338	1.027	50	20	DDGD	
C[C@@H]1CCNC[C@H]1NC(=O)NNc1ccc(C(=O)O)c(F)c1	1594438902	ISTAXJPONKBLAO-PRHODGIISA-N	310.329	1.148	50	20	DDGD	
O=C(O)c1cc(C(=O)NNc2ccc(OC(F)F)cc2)[nH]n1	1594780227	OKDDEOIOGDHZNF-UHFFFAOYSA-N	312.232	1.466	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@@H](Cc1ccc(F)cc1)C(=O)O	1596509591	QOLYIPCTBIIONE-FUWURINLSA-N	306.293	1.382	50	20	DDGD	
COc1cc(O)cc(C=NNC(=O)c2ccc(C(=O)O)cc2)c1	1776100812	BEJOQINNXQXRDL-UHFFFAOYSA-N	314.297	1.863	50	20	DDGD	
CC(=NNC(=O)c1cccc(C(=O)O)c1)c1c(C)cnn1C	1776096276	SKAGPTRDWPMBAS-UHFFFAOYSA-N	300.318	1.581	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1OC	1776115525	BGWXSBNEEKMURH-KPKJPENVSA-N	305.286	1.490	50	20	DDGD	
COC[C@]1(C=NNC(=O)c2cccc(C(=O)O)c2)CCCCO1	1776096394	YTVBXXLXYJYTCB-MRXNPFEDSA-N	320.345	1.686	50	20	DDGD	
Cc1nn(C)c(C(=O)NNc2ccc(F)cc2F)c1[N+](=O)[O-]	158110628	JIMSYTZUEZHOST-UHFFFAOYSA-N	311.248	1.672	50	20	DDGD	
COC(=O)NNC(=O)c1cnn(-c2cc(C)ccc2C)c1C	158892161	FTDHYPQJUZVKGX-UHFFFAOYSA-N	302.334	1.798	50	20	DDGD	
Cn1c(=O)n(CC(=O)NNc2cccc(C#N)c2)c2ccccc21	152252492	VCMQMADNPLIPKY-UHFFFAOYSA-N	321.340	1.355	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)CCc1ccc(OC)cc1	155012280	IJWJNSOZWGRWPF-UHFFFAOYSA-N	317.389	1.762	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C2=CCCC2)cc1OC	157744462	PUVNPEHHZKGFJK-UHFFFAOYSA-N	304.346	1.965	50	20	DDGD	
CC(C)(C)[S@@](=O)CCNS(=O)(=O)CCCCCl	154244677	VTTBCSYVUOYAPZ-MRXNPFEDSA-N	303.877	1.472	50	20	DDGD	
CNC(=O)[C@@H](C)CN(C)S(=O)(=O)c1ccc(CCl)cc1	380307872	UIEOMLUOPGJDLS-JTQLQIEISA-N	318.826	1.428	50	20	DDGD	
CC(C)(C)OC(=O)NC[C@@H](NS(=O)(=O)CCl)C1CC1	830663191	ABYMERBUUGTLMB-SECBINFHSA-N	312.819	1.405	50	20	DDGD	
O=S(=O)(CCl)N(Cc1ccccc1)[C@@H](CO)C1CC1	830944406	MNPCZERWGKKCJI-ZDUSSCGKSA-N	303.811	1.786	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@H]1CCCC[C@H]1C(=O)O	486884	XDEOLYBDSWGUFH-UONOGXRCSA-N	318.373	1.658	50	20	DDGD	
CCc1ccc(OCC(=O)NNC(=S)NC(C)(C)C)cc1	8301866	ORJDNASDHPOEQO-UHFFFAOYSA-N	309.435	1.922	50	20	DDGD	
C[C@@H](Cc1cccc(F)c1)C(=O)NNC(=O)Cc1cccnc1	171510619	VLZZNJPHZCKVNB-LBPRGKRZSA-N	315.348	1.789	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)Cc1cn2ccccc2n1	173889250	GTAXQMPHVWJJQJ-GFCCVEGCSA-N	316.361	1.005	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2ccccc2[N+](=O)[O-])o1	177267520	GZIYSHJGNJNSEW-UHFFFAOYSA-N	318.289	1.640	50	20	DDGD	
CCCN1CC[C@@H](CNC(=O)NNc2cccc([N+](=O)[O-])c2)C1	54805998	BRSGGBZIBMMZNX-LBPRGKRZSA-N	321.381	1.953	50	20	DDGD	
Cc1[nH]c2ccnn2c(=O)c1CC(=O)NNc1ccc(F)cc1	104234654	CHQULWIRSHPQKC-UHFFFAOYSA-N	315.308	1.156	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cccc2cccnc12	65207574	CDOVRJGUUIJWSN-UHFFFAOYSA-N	302.334	1.215	50	20	DDGD	
COCCCNC(=O)NNC(=O)C[C@H](C)c1ccccc1F	102637954	FOMKVPYTRZCBSW-NSHDSACASA-N	311.357	1.686	50	20	DDGD	
COc1ccnc(C(=O)NNC(=O)CNc2ccc(C)cc2)c1	116441566	YJIDQDSUDFCQFX-UHFFFAOYSA-N	314.345	1.272	50	20	DDGD	
CSc1ccccc1C(=O)NNC(=O)Cc1ccncc1	175804575	HIWFMGCAMYPVEL-UHFFFAOYSA-N	301.371	1.807	50	20	DDGD	
CCc1n[nH]c(=O)c(C(=O)NNc2cc(C)ccn2)c1CC	178555838	SZGGPJCOHBERDX-UHFFFAOYSA-N	301.350	1.355	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)OCC(=O)N(C)C2CC2)cc1	63903759	URJLZEQVSOOABI-LCYFTJDESA-N	314.341	1.766	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNC(=O)NC2CCCC2)ccc1F	65919134	SNLQYKVIILUXJB-UHFFFAOYSA-N	322.340	1.671	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CCc2nccs2)cc1	61462566	PJPOKGHVWCJHAI-UHFFFAOYSA-N	300.343	1.409	50	20	DDGD	
O=C(NNC(=O)c1cccnc1N1CCCC1)NC1CCCC1	68282954	HIJPXNHENFWZBG-UHFFFAOYSA-N	317.393	1.568	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)C1(c2cccc(F)c2)CCC1	65192455	MXHADAICDNZGQN-UHFFFAOYSA-N	305.353	1.988	50	20	DDGD	
Cc1cc(NNC(=O)c2cnn(-c3ccncc3)c2C)nc(C)n1	121150361	RXIJNFRSBBGLQO-UHFFFAOYSA-N	323.360	1.739	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCOC1)c1ccc(Br)s1	66896749	UZGSUYKOKOSQFG-LURJTMIESA-N	319.180	1.308	50	20	DDGD	
CCN(CC)CCNC(=O)NNC(=O)CCCc1ccccc1	69725605	DELLSVWZAZMZDL-UHFFFAOYSA-N	320.437	1.682	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](O)c2ccccc2)c([N+](=O)[O-])c1	122637670	ASEVDLQHSMYMOP-CQSZACIVSA-N	317.301	1.780	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)[C@H]1CC1(Cl)Cl	129208840	WXYKPXHXMMGRPT-SNVBAGLBSA-N	317.172	1.797	50	20	DDGD	
Cc1nc(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)no1	123639814	UQHNXYGRROKNAZ-UHFFFAOYSA-N	320.696	1.838	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccn2c1)c1cccc([N+](=O)[O-])c1	74393819	MOFPTHBLPWUOAG-UHFFFAOYSA-N	324.296	1.922	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)Cc1cncs1	187344767	AMHOVPGOAQPGJZ-UHFFFAOYSA-N	315.358	1.103	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NCc1ccco1	73117600	GXKQTZBPGGQDNF-SNVBAGLBSA-N	321.308	1.717	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@H](C)c2c(C)noc2C)o1	120141070	QYDOZYYXDYJOOV-QMMMGPOBSA-N	320.349	1.941	50	20	DDGD	
O=C(NCCc1cnn(-c2ccccc2)c1)NNc1cccnn1	77341675	FPYPYRKPVMXEHE-UHFFFAOYSA-N	323.360	1.531	50	20	DDGD	
O=C(Cn1cccn1)NNc1ccc(OCC(F)(F)F)cc1	124932510	VIKQRHNVJADCLR-UHFFFAOYSA-N	314.267	1.968	50	20	DDGD	
CCc1ccccc1CC(=O)NNC(=O)NCC(F)(F)F	189212962	JREDDPZMSMLKNC-UHFFFAOYSA-N	303.284	1.684	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2)C12CCC2	74604546	MEEAMAJYBYGXQU-ZIAGYGMSSA-N	317.389	1.978	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1	186456580	LSWVPASKEXSJNA-SECBINFHSA-N	324.356	1.726	50	20	DDGD	
CCc1onc(C)c1NC(=O)NNC(=O)Cc1ccncc1	183400350	SGLAUSPUQWKWOP-UHFFFAOYSA-N	303.322	1.336	50	20	DDGD	
Cc1ccc2c(CC(=O)NNC(=O)Cc3cc[nH]n3)c[nH]c2c1	186105187	CEILVVRQVZYLRZ-UHFFFAOYSA-N	311.345	1.132	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)COc2ccc(F)cc2)CC1	79130131	MIDKKWFVACXPQC-UHFFFAOYSA-N	309.341	1.725	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNc1ccccn1)N1CCOCC1	79101654	ZNULSAUFANSKHQ-CYBMUJFWSA-N	307.398	1.065	50	20	DDGD	
CC(C)(C)CNC(=O)NNC(=O)c1cc(Br)c[nH]1	79808247	ZQVKGVLEZPCGOV-UHFFFAOYSA-N	317.187	1.767	50	20	DDGD	
Cc1cc2cc(NC(=O)C(=O)NNC(=O)C(C)(C)C)ccc2[nH]1	184499066	GZGBYAFTJRRIFO-UHFFFAOYSA-N	316.361	1.608	50	20	DDGD	
Cc1cncc(CNC(=O)NNC(=O)CCc2ccccc2)c1	134518615	QMBJLWPPVYARES-UHFFFAOYSA-N	312.373	1.853	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H]2C[C@H](O)C2(C)C)cc(C#N)n1C	190479872	VDLJBFZCYWVOJL-VNLLDLMDSA-N	312.373	1.388	50	20	DDGD	
CN(C)C(=O)CC1CCN(CCI)CC1	191044954	GUWZTPMAIXQUOF-UHFFFAOYSA-N	324.206	1.612	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=O)Cc1ccc(F)cc1	249752558	RTHCCIQCBBMJJC-FRRDWIJNSA-N	321.396	1.777	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Cc1ccccc1F)N(CC)CC	265532104	PLBHPZPAVPXGFW-AWEZNQCLSA-N	309.385	1.636	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccn(-c2ccccc2F)n1	264785060	QVZAZODDIJWOCX-UHFFFAOYSA-N	302.309	1.573	50	20	DDGD	
CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)NNc1cnccn1	269712705	RPNGYNDOSTYXLL-HNNXBMFYSA-N	323.397	1.861	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)COc2cccc(C)c2)O1	268317397	JSYXYTBFGQKPAM-JSGCOSHPSA-N	306.362	1.479	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H](C)C1CCOCC1	268575037	QZGIEOJDDPXMQS-LLVKDONJSA-N	321.377	1.454	50	20	DDGD	
CCC[C@H](NNC(=O)COc1ccccc1C#N)C(=O)OCC	266490682	SMEAUQBTVNPVKO-ZDUSSCGKSA-N	319.361	1.290	50	20	DDGD	
O=C(NNc1cccnn1)[C@@H]1CC(=O)N(c2ccccc2F)C1	365439204	VJVCGLNNIVQHPG-SNVBAGLBSA-N	315.308	1.112	50	20	DDGD	
C[C@@H](C(=O)N1CC=C(C#N)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	272663869	IGYPKCIERGMMKO-FPMFFAJLSA-N	315.373	1.232	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@H](NC(=O)NNC(=O)c2cccc(C)n2)C1(C)C	279776272	APISCCWAQHRYBT-KGYLQXTDSA-N	320.393	1.394	50	20	DDGD	
CC[C@H](C)N(C)CCNC(=O)NNC(=O)c1cccc(C)n1	279977758	QFYJGOFWWZVCCL-LBPRGKRZSA-N	307.398	1.064	50	20	DDGD	
N#CC1=CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1	366716665	BUXAANADKNZNGJ-AWEZNQCLSA-N	310.357	1.112	50	20	DDGD	
CC(C)(C)[C@H]1CN(C(=O)NNC(=O)Cc2cccnc2)CCO1	279655933	XFJAAZSLHBJWMO-CYBMUJFWSA-N	320.393	1.112	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1ccc(OC(C)C)cc1	271350546	GHMMOFWIIWCFLR-UHFFFAOYSA-N	314.407	1.829	50	20	DDGD	
CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)CNc1ccc(C)cc1	273240100	UAQTWYIMRIMSFL-ZDUSSCGKSA-N	320.437	1.721	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)n1	367964289	ONCQZDOCKUMWNR-LBPRGKRZSA-N	313.313	1.315	50	20	DDGD	
CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)NNC(=O)NC1CC1	276815649	HUJRCIORBJFCMG-AAEUAGOBSA-N	321.381	1.034	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H]2CC23CCOCC3)cc1	372723535	CCBDQOSFGRUCCX-CQSZACIVSA-N	302.374	1.827	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(CNC(=O)OC)cc1	273592756	PPEHWPTZDQWVAV-SNVBAGLBSA-N	322.365	1.741	50	20	DDGD	
C=CCNC(=S)NNC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	373942959	MAQXKOKMQPYJET-ASNHAOSHSA-N	311.426	1.976	50	20	DDGD	
O=C(NNc1ncccn1)[C@@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2	372272142	DKBZGQLEFUQPAI-LURQLKTLSA-N	302.256	1.276	50	20	DDGD	
Cc1nc(C2CC2)nc(S)c1C(=O)NNc1ncccn1	282985445	NQOIXDOHCFATAN-UHFFFAOYSA-N	302.363	1.498	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1CCCc2c(O)cccc21	281153666	HOFJYKLDACHFHY-GFCCVEGCSA-N	305.403	1.493	50	20	DDGD	
O=C(NNc1nnc(C2CC2)s1)C(F)(F)C1(O)CCCC1	285953226	CPHVVTCFYFVENP-UHFFFAOYSA-N	318.349	1.799	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNC(=O)Nc1cccc(Cl)c1	283643857	COFLLODBWVJHKR-MRVPVSSYSA-N	313.741	1.692	50	20	DDGD	
O=C(NNC(=O)c1ocnc1C1CC1)c1cccc([N+](=O)[O-])c1	807915875	KILROVIUPMNQRY-UHFFFAOYSA-N	316.273	1.535	50	20	DDGD	
Cc1nc(N)nc(C)c1C(=O)NNc1nccnc1C1CCC1	805473345	LGGOTEDDZIIUQM-UHFFFAOYSA-N	313.365	1.490	50	20	DDGD	
CC1(C)CC[C@H](C(=O)NNc2ccc(-n3ccnc3)nn2)C1	804955871	VZBURYCJYGWELY-NSHDSACASA-N	300.366	1.932	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H](C)NC(=O)c2ccoc2)cc1	294201517	CXFNDSYVVRBVMB-LLVKDONJSA-N	317.345	1.940	50	20	DDGD	
COc1ccccc1CCNC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	297251329	AQXRZCVVXFPLGL-FZMZJTMJSA-N	321.377	1.136	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCc2c(O)cccc21)[C@@H]1CCCCO1	295250657	ADWWPIFYKLYCNL-ZFWWWQNUSA-N	318.373	1.529	50	20	DDGD	
CC(=O)C1(C(=O)NNc2nnc(-c3ccccn3)s2)CC1	295006121	VEHIZKQJNVFVKF-UHFFFAOYSA-N	303.347	1.412	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H]2CCN(C(C)C)C2=O)cc1	297415341	YANWIQXIDWQZGI-AWEZNQCLSA-N	320.393	1.721	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1cc(O)cs1	807409056	BRVDZOBQNAAOAE-UHFFFAOYSA-N	302.319	1.186	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CC(Cl)Cl	808248425	KIYVWXUIROSIHK-UHFFFAOYSA-N	309.153	1.752	50	20	DDGD	
CC(C)(CCC#N)CNC(=O)NNc1nc2ccccn2n1	807591090	CYDLBBICVNLHRB-UHFFFAOYSA-N	301.354	1.685	50	20	DDGD	
C[C@@H]1CC(CCNS(=O)(=O)CBr)C[C@@H](C)O1	801704377	KHHKUWVVLZSPPO-RKDXNWHRSA-N	314.245	1.852	50	20	DDGD	
CCC[C@@H](C)N(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	297884226	NOSQAYRMFXBXFW-LLVKDONJSA-N	322.365	1.476	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNC(=O)c1ccc(Cl)cc1O	806537456	ZGKRMJDODVNIRK-UHFFFAOYSA-N	322.752	1.389	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C(F)(F)C(F)F)cc1	802058755	PQBFOVYEIXNBAL-UHFFFAOYSA-N	309.219	1.748	50	20	DDGD	
COC(=O)C1(CNC(=O)NNc2ncccc2F)CCCC1	805166426	IPSWLQHUYZNIGT-UHFFFAOYSA-N	310.329	1.580	50	20	DDGD	
CN(NC(=O)CNC(=O)c1ccccc1)C(=O)OC(C)(C)C	297758120	SVVGMCRTODEJFQ-UHFFFAOYSA-N	307.350	1.315	50	20	DDGD	
CC[C@H](COC)NC(=O)NNC(=O)Nc1cc(F)cc(F)c1	296449224	OYAMDEQZGRYAKU-SNVBAGLBSA-N	316.308	1.726	50	20	DDGD	
CSSCCNC(=O)Nc1ccnn1CCN(C)C	297457911	QPXCTYSWNJFBBW-UHFFFAOYSA-N	303.457	1.577	50	20	DDGD	
C[C@@H](CBr)CN1CCC[C@H](c2nc(O)n[nH]2)C1	808777285	JGLIPONJBYDJOD-IUCAKERBSA-N	303.204	1.721	50	20	DDGD	
CSc1cccc(NC(=O)NNC(=O)c2ccncc2)n1	806783941	QYEKSQTZWBWLIY-UHFFFAOYSA-N	303.347	1.665	50	20	DDGD	
Cc1ccc2c(c1)CC[C@@H](C(=O)NNC(=O)[C@@H]1CCCCO1)O2	295558377	MNVPHWOGVONIJS-GJZGRUSLSA-N	318.373	1.405	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)COC(C)C)c1	802110506	JWFCOWUTYMGCJS-UHFFFAOYSA-N	315.757	1.926	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc2c(s1)CCOC2	295341746	HZUDASHDHQTDGL-JTQLQIEISA-N	310.375	1.151	50	20	DDGD	
O=C(NNc1ncncc1Cl)Nc1cc2n(n1)CCCC2	806717991	DLYOESZJTAXYDU-UHFFFAOYSA-N	307.745	1.811	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)CN(C)C)CCCS2	814832106	FCBSEVRYNQXBEO-UHFFFAOYSA-N	307.419	1.963	50	20	DDGD	
COCCN(C)NC(=O)c1n[nH]c(C(C)C)c1Br	816560356	MGEOZIHJDCGRGK-UHFFFAOYSA-N	319.203	1.519	50	20	DDGD	
CSCc1cnc(C=NNC(=O)N2CCOCC2)s1	814820936	HEBCRFIZTROOHV-UHFFFAOYSA-N	300.409	1.382	50	20	DDGD	
Cn1cc(C=NNC(=O)NCc2ccc(Cl)cc2)c(O)n1	814221669	IVKSDCSAKQUANT-UHFFFAOYSA-N	307.741	1.612	50	20	DDGD	
CCOC(=O)[C@@H](CC(=O)NNc1cccc(Cl)c1)C(C)=O	816844813	PWIZGJNGGOFUIO-LBPRGKRZSA-N	312.753	1.942	50	20	DDGD	
CC(=NNC(=O)N=c1cc[nH]cc1)c1cnnn1-c1ccccc1	814999882	BJZXWYIUPNJWQC-UHFFFAOYSA-N	321.344	1.630	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=C1CCN(C(N)=O)CC1	812434015	XHMHBXWMIRTVJH-JTQLQIEISA-N	322.340	1.240	50	20	DDGD	
CCC1(CC)NC(=O)N(CC(=O)NCC(Cl)Cl)C1=O	819795069	SHYFAJHKKTYNHA-UHFFFAOYSA-N	310.181	1.017	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)[C@@H]1CCc2nncn2C1	815856380	JTANJIFYEXVFSN-SSDOTTSWSA-N	311.267	1.401	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)[C@@]23CCC[C@@H]2C3)cc1	819987919	BJNGLCOMZFMZGN-IAQYHMDHSA-N	323.418	1.570	50	20	DDGD	
COc1cccc(O)c1C=NNC(=O)c1ccc2c(c1)OCO2	812486719	DHNDDIQXDUHYHF-UHFFFAOYSA-N	314.297	1.893	50	20	DDGD	
COCCOCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	811930656	ZLTKXKQQFILLRA-UHFFFAOYSA-N	310.394	1.013	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=Cc1ccn(C)n1	814723005	UKMHUKNHKBQSQD-UHFFFAOYSA-N	302.334	1.348	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)Nc2ccccc2C)[nH]1	816565400	NYGQIZGFFMDTSI-UHFFFAOYSA-N	316.317	1.576	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H](O)c2ccc(Cl)cc2)n1	813511526	LRQOFSKXLODDFE-ZDUSSCGKSA-N	307.737	1.920	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)COc2cc(C)ccc2C)nc1	728854861	DKVRCBQFBKBFKY-UHFFFAOYSA-N	323.352	1.520	50	20	DDGD	
CC1(C)C[C@@]1(C(=O)NNC(=O)Cc1cc[nH]n1)c1ccccc1	826666420	FIQYUOWOXDFUKC-KRWDZBQOSA-N	312.373	1.468	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cc(Cl)ccn1	826448706	HSMOIPLQMWHECI-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
CC[C@H](C)[C@@H](C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C	495086062	JZVLBYXYRXZIAD-VHSXEESVSA-N	301.387	1.341	50	20	DDGD	
O=C(CCC1CCC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	822950384	LYVVYWOJHTWTLA-UHFFFAOYSA-N	314.349	1.208	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1CCc2cc(F)ccc2C1	827281675	JIKRUJAJMCGMPH-QMTHXVAHSA-N	321.352	1.350	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)CC(N)=O)cc1	491177093	UHJHJQSPXKIXAA-KWJWQAOWSA-N	301.346	1.372	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)NOCC1CCC1	824022021	HKQWAEOEKWHHSA-UHFFFAOYSA-N	316.361	1.773	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCc1cccc(Br)c1	823988109	PLNLGVJCNBPSFF-SNVBAGLBSA-N	315.211	1.726	50	20	DDGD	
Cc1csc(C2(NCC(=O)NNC(=O)C(C)C)CCCC2)n1	828353159	XRVODRCDKRHBHF-UHFFFAOYSA-N	324.450	1.614	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NNC(=O)C1CC1	491616728	MGIFKWZFCCZMCI-WDEREUQCSA-N	311.382	1.237	50	20	DDGD	
CNC(=S)N(C)NC(=O)C1=C(c2ccccc2)SCCO1	823552398	ORIROEUTZHLLBT-UHFFFAOYSA-N	323.443	1.586	50	20	DDGD	
CCN(Cc1ccccc1)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	827314667	INPHYYQDSHUNRL-JSGCOSHPSA-N	305.378	1.674	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@H]1C[C@H]1C1CCC1	496170880	QEPBXXCYWABFFG-WDEREUQCSA-N	311.382	1.095	50	20	DDGD	
Cc1nn(C(C)C)cc1-c1nc(-c2cccc(B(O)O)c2)no1	585052621	SFPRAYNXERVHPS-UHFFFAOYSA-N	312.138	1.169	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@@H](Oc2cccc(F)c2)C1	828786321	XIOBORNPXIHAPW-CQSZACIVSA-N	323.368	1.082	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccc(OC(F)F)c1)n1cccn1	728484618	DQIBYMQMNUGUEY-SECBINFHSA-N	324.287	1.507	50	20	DDGD	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NN(C)[C@H](C)CO	823976170	AFWPYRJIXHDBPH-TUVASFSCSA-N	300.443	1.808	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)Nc2c[nH]c(C(N)=O)c2)cc(C#N)n1C	490724846	BPJKRGPYRUKKRX-JYOAFUTRSA-N	322.328	1.178	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(C(=O)OC)c(C)c1	901177031	OFMGGGQGSQTRSH-UHFFFAOYSA-N	307.350	1.451	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(C)c1ncc(CC(=O)OCC)s1	491135536	UKQYOWVJMYVJSD-MDZDMXLPSA-N	323.374	1.655	50	20	DDGD	
C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1ccc(B(O)O)c(F)c1	584990254	SWHVDTAQEPTFDE-AAEUAGOBSA-N	321.201	1.792	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCc3cc(F)ccc32)c(F)c1	585019898	JJYHPPIAAJQFDX-INIZCTEOSA-N	303.117	1.422	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@]1(Cl)C[C@H]2CC[C@H]1O2	905240128	FJVDBCGVDBHFPP-HCKVZZMMSA-N	308.765	1.685	50	20	DDGD	
COC(=O)N(C)N=Cc1ccccc1OCC(=O)NCC1CC1	495613787	SKOFZPAIEBDZSB-UHFFFAOYSA-N	319.361	1.624	50	20	DDGD	
CC(C)OC(=O)[C@@H](C)N(C)C(=O)/C(C#N)=C\c1cnn(C)c1	491160581	LSLHYWWVKIDEBT-PZHUPROXSA-N	304.350	1.126	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)N(C)C)N(C(=O)OC(C)(C)C)C1CC1	497310799	DKLNLBZVQCQCOE-VIFPVBQESA-N	314.386	1.077	50	20	DDGD	
COCC1CCC(=NNC(=O)[C@H](C)CN2CCOCC2)CC1	834932234	GLCPTMAPMIIESD-KWCCSABGSA-N	311.426	1.264	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1CCOc2ccc(F)cc21	585037005	QQTQZFHVOCFNJY-OAHLLOKOSA-N	301.126	1.119	50	20	DDGD	
C[C@H](Cc1ccccc1F)C(=O)NNC(=O)c1ccccn1	737763089	GVJNJCRJJRZGBI-LLVKDONJSA-N	301.321	1.861	50	20	DDGD	
CC(C)CCn1nccc1NC(=O)c1cc(B(O)O)ccc1F	584926569	SWHLHUIKTFQRIX-UHFFFAOYSA-N	319.145	1.000	50	20	DDGD	
CCOCC(=O)NN=C(C)c1ccc(OCCOC)c(OC)c1	731152661	OCUULHZCZZXVFF-UHFFFAOYSA-N	324.377	1.597	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc(F)cc1F	901966145	MXIGNHXQJIFFQX-UHFFFAOYSA-N	302.302	1.078	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)CS(=O)(=O)C(C)C	836933851	KNFYONDUNRPRHG-UHFFFAOYSA-N	304.799	1.915	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)C#CC(C)(C)C)cc1	837604459	PNLINJQSWWDDDL-UHFFFAOYSA-N	302.378	1.955	50	20	DDGD	
CCc1noc(C)c1C(=O)NNC(=O)COc1ccccc1O	730782838	WTLBMDFUVJNNAE-UHFFFAOYSA-N	319.317	1.091	50	20	DDGD	
CO[C@@H]1CCC[C@@H](c2nc(-c3cccc(B(O)O)c3)no2)C1	585052612	RWLHTYSVUANOSE-DGCLKSJQSA-N	302.139	1.089	50	20	DDGD	
C[C@H](OC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)NC1CCCC1	837968973	IDUIFXAULWTBLY-HKMIMPICSA-N	316.361	1.318	50	20	DDGD	
COC(=O)CC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	905209756	CZNFDCPDHZUKIU-QMMMGPOBSA-N	310.375	1.197	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1	830816202	MJUWQFMQOGAQSO-ZVTBTPLYSA-N	319.283	1.100	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCCCSC)c(F)c1	838480942	GXNABKUNDZNPRC-UHFFFAOYSA-N	315.370	1.992	50	20	DDGD	
CCn1cc(C=NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)nn1	901232365	ZBBKGRCSLCRLIG-SNVBAGLBSA-N	321.768	1.869	50	20	DDGD	
Cc1ccc(C2=NO[C@@H](C(=O)NNC(=O)NCC3CC3)C2)cc1	900386217	NFIOSGVWRRIRKO-CQSZACIVSA-N	316.361	1.228	50	20	DDGD	
O=C(NC[C@H](c1ccccc1)C1CC1)c1ccc(B(O)O)cc1	584992502	LMLPTQHGLMANEA-QGZVFWFLSA-N	309.174	1.290	50	20	DDGD	
CCS[C@@H](c1nc(-c2ccc(B(O)O)cc2)no1)C(C)C	585051195	XMFLHIFEWGGBGC-GFCCVEGCSA-N	306.196	1.867	50	20	DDGD	
CC[C@@H](C)[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)C(F)(F)F	584981586	FBOASGYLCCBASS-RDDDGLTNSA-N	321.079	1.212	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNC(=O)CCOc2ccccc2)C1	838748656	LNRCLCSVSCEQHW-XBXGTLAGSA-N	321.377	1.353	50	20	DDGD	
CCc1c(C(=O)NNC(=O)[C@@H]2CCCCO2)[nH]c(C)c1C(C)=O	833256658	QDVTVCLUYFAVOM-LBPRGKRZSA-N	321.377	1.418	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1cccc(Cl)c1	901967277	YSGCCDSURYDAGX-UHFFFAOYSA-N	300.767	1.453	50	20	DDGD	
C[C@@H](CN(C)C(=O)c1ccc(B(O)O)c(F)c1)C1CCCCC1	585011805	XFKAXXJHQBMTGF-LBPRGKRZSA-N	321.201	1.794	50	20	DDGD	
C[C@@H]1CCCC[C@H]1[C@@H](C)NC(=O)c1cc(B(O)O)ccc1F	584994531	AVTZERPMUMNGDL-NQBHXWOUSA-N	307.174	1.450	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@H](O)c1cccnc1	732285144	TYASVXZVDPGESO-GFCCVEGCSA-N	311.301	1.308	50	20	DDGD	
CSSCCNC(=O)N[C@H]1CCCN(CCCO)C1	838587014	GXWGNLTWICEJAY-NSHDSACASA-N	307.485	1.144	50	20	DDGD	
O=C(NNc1cccc(Br)n1)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	837693160	OSNNTFDUCYVSEH-YIZRAAEISA-N	324.178	1.902	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)c(F)c1	837206085	IVKQRGFNSKFXRC-MWODSPESSA-N	310.325	1.869	50	20	DDGD	
CC(C)CC1(C)CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1	584993719	UOTIKHCCPYWNAI-UHFFFAOYSA-N	321.201	1.794	50	20	DDGD	
CCc1[nH]c(C(=O)NNc2ccnc(F)c2)c(C)c1C(=O)O	833667524	IWOAZMNJTFGMNL-UHFFFAOYSA-N	306.297	1.875	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H]2CC(=O)N(CC)C2)cc1	838676639	SIOJTSWMDALWTR-GFCCVEGCSA-N	306.366	1.332	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CCc2ccc(OC)cc21	747633470	ZHBPBFBMOZKSIK-UHFFFAOYSA-N	317.389	1.767	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CCc1cc(OC)no1	831706281	DLKJPDVJKDTGIC-UHFFFAOYSA-N	319.317	1.546	50	20	DDGD	
CC(C)CNC(=S)NNC(=O)[C@H](C)CN1CCCCC1	916118871	CBZYNQIMVFLSNG-GFCCVEGCSA-N	300.472	1.260	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H]2COc3ccccc3O2)n(C)n1	841605919	XZYQZBXAHKSNKQ-AWEZNQCLSA-N	300.318	1.019	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C#N)cc1)c1cc2n(n1)CCC2	841607617	ZFLMXVACYAYNEV-UHFFFAOYSA-N	323.356	1.620	50	20	DDGD	
CO[C@@H](C)C(=O)NNC(=O)c1ccc(OCCC(C)C)cc1	917561827	IEUOYEXUNPXCJF-LBPRGKRZSA-N	308.378	1.907	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@H](C)c1csnn1	840459683	HRBZHWUPVNIKEY-SNVBAGLBSA-N	319.390	1.481	50	20	DDGD	
COCCN(C)NC(=O)c1cn(-c2cccc(F)c2)nc1C	840452553	JMDMUNNPLDGRNR-UHFFFAOYSA-N	306.341	1.543	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccnc2ccccc12	748260531	VOLNPBCVULWXCR-LBPRGKRZSA-N	301.346	1.736	50	20	DDGD	
COc1ncc(C(=O)NNc2ncccc2C(F)(F)F)cn1	740088110	VYUZWHMQAKYJCT-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NCCN2CCNCC2)c(C)c1	841919905	GHYJQHXUZSWAJJ-UHFFFAOYSA-N	305.426	1.143	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNc1cc(O)nc2ncccc12	913994928	YXLAEWXTRJJNNF-JTQLQIEISA-N	304.350	1.984	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@@H]1C1CCCC1)c1ncccn1	841593258	BESRYDMMXGSTDH-GFCCVEGCSA-N	303.366	1.486	50	20	DDGD	
C[C@@H](CNS(=O)(=O)CCCCCl)C(=O)OC(C)(C)C	848489659	XLLNYUZLZJLALJ-JTQLQIEISA-N	313.847	1.903	50	20	DDGD	
CO[C@@]1(C=NNC(=O)CSc2nc(C)cc(C)n2)CCOC1	841602382	FGPWJAOADSESGI-CQSZACIVSA-N	324.406	1.093	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(O)c1	843979014	LZBBALXSSDNEBS-JQWIXIFHSA-N	306.362	1.702	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(C(=O)OC(C)(C)C)nc1	845299812	OEAZPUWCLPFPGA-UHFFFAOYSA-N	308.338	1.001	50	20	DDGD	
O=C(NNc1cc(Cl)cc(Cl)c1)[C@H]1CCS(=O)(=O)N1	846007423	HKAKEXBERWRIAX-SECBINFHSA-N	324.189	1.128	50	20	DDGD	
O=C(CN1CC[C@H](c2ccncc2)C1)NNC(=O)c1ccccc1	846907476	HUBZZHLYNFSSBI-INIZCTEOSA-N	324.384	1.332	50	20	DDGD	
O=C(NCC[S@](=O)Cc1ccccc1)NNc1ncccn1	741417823	DGTYNSYKQZSZEE-QFIPXVFZSA-N	319.390	1.052	50	20	DDGD	
O=C(NNc1ccc(F)cc1)c1cn(Cc2ccccn2)nn1	742516803	KRWIBNUAOYSTML-UHFFFAOYSA-N	312.308	1.617	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2ccnc(N3CCCC3)n2)c1	748040966	IBQSZXPXWIBWKN-UHFFFAOYSA-N	308.345	1.705	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H](CC(C)C)OC	841074253	WBCGYQABNFGMPE-CQSZACIVSA-N	308.378	1.446	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2csc(C)n2)n1	746747735	STVADQJLXWRTKJ-UHFFFAOYSA-N	308.367	1.385	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cc(Cl)ccc1OC	748254167	WHHRXDLAHDVSPY-JTQLQIEISA-N	314.769	1.850	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=S)NCC1CCC1	747661091	AHCRJHVBEPHBKC-UHFFFAOYSA-N	317.418	1.172	50	20	DDGD	
CO[C@]1(C=NNC(=O)[C@@H](C)Oc2ccc(F)cc2)CCOC1	841610367	HNCJFEAYPHYNRO-ABAIWWIYSA-N	310.325	1.501	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)[C@@H]1C[C@H]1C1CCC1	845081779	UGOXEUZHRHIYEN-QWHCGFSZSA-N	312.373	1.620	50	20	DDGD	
C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)CC(C)(C)CCl	866865515	HMPJCDUNUCZVGG-NWDGAFQWSA-N	310.891	1.853	50	20	DDGD	
CN(C)C(=O)NN=Cc1ccc(Br)c([N+](=O)[O-])c1	745605339	PFHNWJPZZCCHRU-UHFFFAOYSA-N	315.127	1.962	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)C1CCCC1)c1cccnc1	840478311	UJADBZDNCHUIPU-UHFFFAOYSA-N	304.394	1.880	50	20	DDGD	
C[C@@H]1Cc2cc(CNC(=O)NNC(=O)c3ccc[nH]3)ccc2O1	926448617	OJTNGHHIVRYHFZ-SNVBAGLBSA-N	314.345	1.482	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cc1ccc(F)cc1Cl	843654341	RBCLFBBQRUQDQH-GZMMTYOYSA-N	314.744	1.594	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)c(C)c1)c1cnn(C)c1	920826683	GKQGNQOOWSSMIK-UHFFFAOYSA-N	313.361	1.516	50	20	DDGD	
Cc1cccc2c1OCCC2=NNC(=O)[C@@H]1CCS(=O)(=O)C1	920370564	JVVNVFPACWCGIA-LLVKDONJSA-N	322.386	1.033	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1Cc2ccccc2C(C)(C)C1	759308377	GIGLVJDJYKVLBQ-UHFFFAOYSA-N	317.433	1.973	50	20	DDGD	
CCC(C#N)(CC)C(=O)NNC(=O)COCc1ccccc1	859489893	SZAJXWZCPJYBAS-UHFFFAOYSA-N	303.362	1.681	50	20	DDGD	
Cc1ccc(Cl)c(OCC(=O)NNC(=O)NCC2CC2)c1	920859171	AMNWOZFGRBRKAM-UHFFFAOYSA-N	311.769	1.768	50	20	DDGD	
O=C(NCC1CCN(CC2CC2)CC1)NNc1ccc(F)cn1	852707912	LHLYLARZWLTUDR-UHFFFAOYSA-N	321.400	1.969	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2c(C)nn(C)c2C)ccc1C	857267653	LYTCNEUEOCMUJO-UHFFFAOYSA-N	316.361	1.889	50	20	DDGD	
Cc1ccccc1COCC(=O)NNC(=O)[C@@H]1CCCCO1	857275272	VXRQJQYCXJNPTN-AWEZNQCLSA-N	306.362	1.228	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cnc2ccc(C)cn12	755575155	DLBLKDIOMMEQNH-UHFFFAOYSA-N	301.394	1.825	50	20	DDGD	
CC(C)N(CCOCCO)C(=O)/C(C#N)=C/c1ccc(O)cc1	854387938	PZOCDNYMAQVPAH-RVDMUPIBSA-N	318.373	1.545	50	20	DDGD	
O=S(=O)(CCl)N[C@@H](CO)c1ccccc1C(F)(F)F	922025675	SEABETZTIDTSFL-VIFPVBQESA-N	317.716	1.855	50	20	DDGD	
CC1CCN(c2ccc(C(=O)NNc3cnnn3C)cn2)CC1	857271439	MDTWWNDCJSGROS-UHFFFAOYSA-N	315.381	1.203	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)COCC1CCCC1	854286477	QIPXZVSGUGICNZ-UHFFFAOYSA-N	317.455	1.067	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C1COC[C@H]1CC	853265619	AVMDCKBRDKUHKD-GFCCVEGCSA-N	306.362	1.993	50	20	DDGD	
C=CCN(CC(=O)NNC(=O)c1cccs1)[C@@H](C)COC	852356970	UANTUPURCDLCAX-NSHDSACASA-N	311.407	1.032	50	20	DDGD	
O=C(NNC(=O)c1cccc(OC(F)F)c1)N[C@H]1C=CCC1	852055555	ANZWSEJXHBHKGB-JTQLQIEISA-N	311.288	1.951	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1c[nH]nc1-c1cccnc1	751528538	QWLKLJPXGWDGEE-UHFFFAOYSA-N	302.338	1.216	50	20	DDGD	
Cn1nnc2c(C(=O)NC[C@@]3(C)C[C@@H]3Br)ccnc21	857388165	QFBLCTKGOMEEQT-QPUJVOFHSA-N	324.182	1.267	50	20	DDGD	
CCOC(=O)CCCNC(=O)NC[C@]1(C)C[C@@H]1Br	856822145	YFQVIUNABQJCPD-CABZTGNLSA-N	321.215	1.802	50	20	DDGD	
CC1(CNC(=O)NNC(=O)c2cccc(C#N)c2)CCOCC1	753428773	FOTRAYFWMBJXGC-UHFFFAOYSA-N	316.361	1.319	50	20	DDGD	
C[C@]1(CNC(=O)C[C@@H]2CCC(=O)NC2)C[C@H]1Br	857385832	MHPKTBRLDNLOEK-YGOYTEALSA-N	303.200	1.192	50	20	DDGD	
CC(C)OCCNC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	754296558	QPJMZZHWHIIDRM-UHFFFAOYSA-N	323.397	1.513	50	20	DDGD	
CC(C)N1CC(=NNC(=O)COc2ccc(C#N)cc2)[C@@H](C)C1	754253315	CQJYWCXYGHVZLU-ZDUSSCGKSA-N	314.389	1.769	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cccc(OC[C@H]2CCCO2)c1	755723777	XBYSUQITGFZEBQ-CYBMUJFWSA-N	323.349	1.044	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2cn3ccccc3n2)o1	752823825	MITPHSNKRHSUQH-UHFFFAOYSA-N	313.317	1.380	50	20	DDGD	
CC[C@H](CN1CCCC1)NC(=O)NNC(=O)c1ccccc1C	758844954	KNGAJKHOCULTQD-CQSZACIVSA-N	318.421	1.813	50	20	DDGD	
O=C(NNC(=O)c1ncc2n1CCCC2)OCC(F)(F)F	869281646	JHNOCEXHXNACGF-UHFFFAOYSA-N	306.244	1.153	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C1CC[C@@H](Cc2ccccc2)C1	863186165	QBHJJUYVMGKQIA-ZDUSSCGKSA-N	308.403	1.546	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccsc2)c(O)c1	764109642	AMBJRIXUOJLCPL-UHFFFAOYSA-N	319.342	1.162	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cn(CC(F)(F)F)nc1C	763299326	TWGGNFVROPLEJF-UHFFFAOYSA-N	307.276	1.108	50	20	DDGD	
C[C@@H](NNC(=O)[C@@]1(C)COc2ccccc2O1)C(F)(F)F	862324110	COEZNHBLJKAOOQ-PRHODGIISA-N	304.268	1.788	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H]2CCn3c(cnc3C)C2)c1	862479541	RROWFSVFGITNPB-NSHDSACASA-N	318.402	1.585	50	20	DDGD	
CC[C@@H]1C[C@@H](CC(=O)NNC(=O)Cc2cc(C)[nH]n2)CCO1	869013909	BHJRDFGPQSUTFX-WCQYABFASA-N	308.382	1.003	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1cccc(-c2cnco2)c1	763816981	USNYLFWTXUZYMS-UHFFFAOYSA-N	316.317	1.084	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)C2(c3cccnc3)CC2)c1	862478125	YKHYKEWIOUDXNL-UHFFFAOYSA-N	301.371	1.944	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2ccc(C(F)(F)F)nn2)CCC1=O	765201574	SVEHUWOHPLAIBX-YUMQZZPRSA-N	316.283	1.944	50	20	DDGD	
CC[C@@H](OC1CCCCC1)C(=O)NNC(=O)NCCCOC	760450022	NDNXTOLJHPRZBT-CYBMUJFWSA-N	315.414	1.481	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@H]1CCCN(CC(F)F)C1	867754239	HYEHGTYSVHEVCD-JTQLQIEISA-N	324.335	1.150	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC[C@H](OCCO)C1	768293423	ASFPEHAIBXDKIG-QWRGUYRKSA-N	322.243	1.796	50	20	DDGD	
COC(=O)C[C@H](O)CNC(=O)CCCC[C@@H]1CCSS1	863016356	QBVIZORGSUNWEP-WDEREUQCSA-N	321.464	1.741	50	20	DDGD	
CC(=O)NNC(=O)[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]21	864427740	VEQPWEKXKFNCHQ-SDDRHHMPSA-N	309.163	1.502	50	20	DDGD	
O=C(NC[C@@H]1COCO1)[C@@]12CC[C@@H](C[C@@H]1Br)C2	861974615	QSKGZXPOJXNYOQ-MIZYBKAJSA-N	304.184	1.429	50	20	DDGD	
CC(C)(C(N)=O)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	767636178	CLTFMBLAEPVHNJ-UHFFFAOYSA-N	300.702	1.203	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)Cc2ccco2)nc2ccccc21	764546349	CACGXYHZVSALAK-UHFFFAOYSA-N	312.329	1.099	50	20	DDGD	
CC[C@H](C)C(=O)NN=C(CNS(C)(=O)=O)c1ccccc1	766696389	SEGPQTFNSIWVST-NSHDSACASA-N	311.407	1.102	50	20	DDGD	
CS(=O)(=O)c1cccc(NC(=O)NNc2cnccn2)c1	769943569	TXBDBPMNLXYXNZ-UHFFFAOYSA-N	307.335	1.029	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1n[nH]c2c1CCCC2)n1cccc1	1116410051	QZNSJBXIHZTGIM-SNVBAGLBSA-N	301.350	1.112	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc([C@H]2CCC(=O)N2)c1	879890485	LWJXKGWQQWCKIM-CYBMUJFWSA-N	306.366	1.252	50	20	DDGD	
CC[C@@H](NNC(=O)c1cnn(C)c1)C(=O)Nc1ccc(C)cc1	871873433	VIRZXKFFDKSLRI-CQSZACIVSA-N	315.377	1.380	50	20	DDGD	
C=CCCOCC(=O)NNC(=S)Nc1ccccc1OC	873767268	BZMJVFTWZOACAR-UHFFFAOYSA-N	309.391	1.606	50	20	DDGD	
C#CCOCCC(=O)NNC(=S)Nc1cc(C)ccc1F	874946606	OXBVRTSEERVFSU-UHFFFAOYSA-N	309.366	1.492	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=S)Nc1ccccn1	874956715	MLOBKMZBAAGQOM-NEPJUHHUSA-N	322.434	1.995	50	20	DDGD	
COc1ccc(COC[C@@H](O)CN2CC=C(C#N)CC2)cc1	779585699	GXWKEKYIXPGNPM-INIZCTEOSA-N	302.374	1.728	50	20	DDGD	
COc1cccc(C)c1NC(=O)C(=O)NNC(=O)C1CCCC1	773535253	SESKWSRDPBPBOB-UHFFFAOYSA-N	319.361	1.280	50	20	DDGD	
COCCN(CC(=O)NNC(=O)c1ccccc1)C1CCCC1	777560109	OZAZRUDMALRVPP-UHFFFAOYSA-N	319.405	1.339	50	20	DDGD	
Cc1cc(/C(C#N)=C\c2cn(CC(=O)O)nn2)ccc1[N+](=O)[O-]	774558011	HXLVABUWVBPPRM-WZUFQYTHSA-N	313.273	1.644	50	20	DDGD	
C[S@](=O)c1cccc(C(=O)NNC(=O)c2ccccc2)c1	770201962	JSRQVKIAOUUEKU-NRFANRHFSA-N	302.355	1.499	50	20	DDGD	
COc1cc(NC(=O)NNc2nccnc2C(C)C)ncn1	770618813	PJYLWSYHSVQTPX-UHFFFAOYSA-N	303.326	1.547	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cccc([S@@](C)=O)c2)n1	771112004	LDEAMOQSWBEVPT-OAQYLSRUSA-N	304.375	1.588	50	20	DDGD	
CCCC1(C(=O)NNc2nc(O)c3cnn(C)c3n2)CCC1	770982103	FAXOGCPMNFICFG-UHFFFAOYSA-N	304.354	1.482	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(-c2nnco2)ccc1C	878697530	HCMKWYOEWBTVRE-UHFFFAOYSA-N	305.338	1.660	50	20	DDGD	
C=CC(C)(C)CC(=O)NNC(=O)CNC(=O)c1cccs1	878606783	RDLSQPLXQXHONR-UHFFFAOYSA-N	309.391	1.228	50	20	DDGD	
COCC1(C)CCN([C@H](C)C(=O)NNC(=O)CC(C)C)CC1	773720745	RPYUKDPBGZOBHT-CYBMUJFWSA-N	313.442	1.317	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)/C=C\c2ccc(O)c(O)c2)n1	773863604	XNOWQGDKFMDLEC-RQOWECAXSA-N	321.724	1.280	50	20	DDGD	
C=CC(C)(C)CC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1	878214887	GVRXOTZLEAHTSV-UHFFFAOYSA-N	324.402	1.453	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@H](CO)C[C@@H]1CCCO1	885526005	XPSMVOGKMHOLIC-QWRGUYRKSA-N	313.847	1.101	50	20	DDGD	
CCC[C@H]1C[C@H](C(=O)NNC(=O)c2cccc(C#N)c2)CCO1	779904086	SHGXQCIGKRHEPN-CABCVRRESA-N	315.373	1.915	50	20	DDGD	
CC[C@@H]1C[C@H](C(=O)NNC(=S)NCCSC)CCO1	779947194	JMEJQWHVVHUFFU-NXEZZACHSA-N	305.469	1.050	50	20	DDGD	
CN1C(=O)COc2ccc(NC(=O)NN=c3cc[nH]cc3)cc21	782047991	FRIMGFHDGKOMBL-UHFFFAOYSA-N	313.317	1.007	50	20	DDGD	
N#Cc1ccc(NNC(=O)NCCOC2CCCCC2)nc1	887874300	MIDRHBSHUOJTGR-UHFFFAOYSA-N	303.366	1.929	50	20	DDGD	
COC(=O)[C@@H]1CC(F)(F)CN1C[C@@H](C)CBr	880331855	SEUXOIXGMNFKCX-YUMQZZPRSA-N	300.143	1.900	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@H](F)C(C)C)cc1OC	784144586	IVLXWGHEMYSVMH-CYBMUJFWSA-N	312.341	1.849	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](NC(=O)NNc2ncncc2Cl)CCO1	781013361	JRYITINJAPCDKL-ONGXEEELSA-N	313.789	1.960	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H]2C[C@@H](C(=O)OC)C2)ccc1F	1120742444	CKQCOHRCXJRBAP-DTORHVGOSA-N	324.308	1.255	50	20	DDGD	
C[C@H](O)[C@@H]1C[C@H](C)CCN1S(=O)(=O)CBr	785532754	YPHRTHZUJGLTFL-VGMNWLOBSA-N	300.218	1.150	50	20	DDGD	
O=C1NCCc2ccc(NS(=O)(=O)CCCCCl)cc21	788057465	KEHSWAAXRRDEIK-UHFFFAOYSA-N	316.810	1.733	50	20	DDGD	
CNC(=O)[C@@H]1CCCCN1C(=O)[C@H](Br)C(C)(C)C	781098491	UARJKZXDAWMPJT-UWVGGRQHSA-N	319.243	1.923	50	20	DDGD	
OCCOCc1cn([C@@]2(Cl)C[C@@H]2CCBr)nn1	881383322	UKFQCXQSHPCIRC-WPRPVWTQSA-N	324.606	1.484	50	20	DDGD	
CO[C@]1(C)C[C@@H](NS(=O)(=O)CBr)C1(C)C	782461362	QDPTUUZKEUYMLD-VXNVDRBHSA-N	300.218	1.462	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@@](C)(C#N)C2)c1	784455847	XLCJRXLHCRIOKS-KRWDZBQOSA-N	314.389	1.382	50	20	DDGD	
COc1cc(C(C)=NNC(=O)C(F)F)cc(OC)c1OC	782235257	ALGWIANOLDXEMC-UHFFFAOYSA-N	302.277	1.818	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@@H]2CCN(Cc3ccccc3)C2=O)c1	896298178	OCIOGWPHPIFCLA-HNNXBMFYSA-N	324.384	1.882	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)CCC(C)(C)O)c1	786643425	MRZXNYFHJBXJLW-UHFFFAOYSA-N	310.350	1.016	50	20	DDGD	
CCc1nnsc1C(=O)NNc1cccc(C(=O)OC)c1	780795325	HBAXBHIYUVDEON-UHFFFAOYSA-N	306.347	1.644	50	20	DDGD	
Cc1ncc(NC(=O)C(=O)NNc2cccnc2Cl)s1	784839068	JDLREZUEEWGLSY-UHFFFAOYSA-N	311.754	1.582	50	20	DDGD	
CC(=O)Nc1ccc(C(C)=NNC(=O)Cc2cc(C)[nH]n2)cc1	781587118	VDTNGTIOKGJHIB-UHFFFAOYSA-N	313.361	1.759	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@@H]1CC(=O)N(C2CCCCC2)C1	780757582	TVELZLLKZWTRBB-GFCCVEGCSA-N	302.378	1.128	50	20	DDGD	
O=C(NN=Cc1cc(Cl)cc2c1OCC2)c1cnccn1	782900924	XDRQYVDHWSPBGP-UHFFFAOYSA-N	302.721	1.829	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCCc2c(OC)cccc21	799485483	PXXRJNZPJNRAKE-UHFFFAOYSA-N	305.334	1.208	50	20	DDGD	
C=C[C@@H](CC)CC(=O)NNC(=O)CNc1ccccc1OC	891957868	OGFBTMLROUPCBM-LBPRGKRZSA-N	305.378	1.857	50	20	DDGD	
COCC(C)(C)N(C)CC(=O)NNC(=O)c1ccc(C)cc1	795189482	SBFFQAZHBGQICV-UHFFFAOYSA-N	307.394	1.113	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nn2cnc3ccccc32)n1	792774839	YDMNCUCTQAORTO-UHFFFAOYSA-N	310.317	1.338	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1cccc(C#N)c1C	792376801	ZJZXGCDPCGTZIO-UHFFFAOYSA-N	309.329	1.652	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=C2CCOC[C@H]2C)C[C@@H](C)O1	794477519	CKVDCVRLHVAVMW-RFQIPJPRSA-N	311.426	1.260	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53	793891616	PGCPRPMQZKSYQM-HTAWBZOUSA-N	316.792	1.967	50	20	DDGD	
CSSCCNC(=O)N[C@@H](C)c1nnnn1C1CC1	790829536	IDVZSKFYIMMXHR-ZETCQYMHSA-N	302.429	1.379	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ncoc1-c1ccc(C)cc1	798305134	UAQQZJFIDNKDCR-UHFFFAOYSA-N	316.386	1.945	50	20	DDGD	
O=C(CCn1ccccc1=O)NNC(=O)c1ccccc1Cl	1317873754	UOOVBWPRHAKOIF-UHFFFAOYSA-N	319.748	1.353	50	20	DDGD	
CCc1ccc(-c2nc(C(=O)NNC(=O)NC)cs2)cc1	1317969849	CVQPUGVLVWLFSR-UHFFFAOYSA-N	304.375	1.946	50	20	DDGD	
CN(C)c1ncccc1C=NNC(=O)CCc1ccccc1O	1323310972	KZWUXWNRGOPZEF-UHFFFAOYSA-N	312.373	1.936	50	20	DDGD	
Cc1cc(C=NNC(=O)c2cc(-c3ccccc3)[nH]n2)ncn1	1324430454	QMHZYGOAIPMDFJ-UHFFFAOYSA-N	306.329	1.939	50	20	DDGD	
CC(=O)Nc1ccc(C)c(C(=O)NNC(=S)NC(C)C)c1	1320797299	GSRPLFGOFPKYMH-UHFFFAOYSA-N	308.407	1.471	50	20	DDGD	
O=C(CCO)NN=C1COc2cc(F)c(Br)cc21	1326240737	UNNJQLJUCNZKME-UHFFFAOYSA-N	317.114	1.183	50	20	DDGD	
NCCCCCCNC(=O)NNC(=O)c1ccccc1Cl	1326026393	BPFDAIYKJFDGRZ-UHFFFAOYSA-N	312.801	1.803	50	20	DDGD	
O=C(NN=C1CCN(CCc2ccccc2)CC1)c1cccnn1	1333657483	RJGSOSFLQXJSTC-UHFFFAOYSA-N	323.400	1.901	50	20	DDGD	
Cc1nnc(NNC(=O)c2ccc(Cn3cccc3)cc2)nc1O	1338618815	OHQYCTOKIUTZOU-UHFFFAOYSA-N	324.344	1.492	50	20	DDGD	
COC(=O)C1CN(C(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)C1	1339294741	SHGPBOXVGMASAP-GMOODISLSA-N	316.195	1.572	50	20	DDGD	
O=C(NCCS(=O)(=O)CC1CC1)c1cccc(CCl)c1	1335820841	RCSBZDXFJKRALJ-UHFFFAOYSA-N	315.822	1.980	50	20	DDGD	
Cn1ccc(NNC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)n1	1339436899	AHBKPGTWOILDKE-NSHDSACASA-N	307.398	1.148	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)N[C@@H]2CCC[C@H]2CCO)nn1	1338502127	UJTGSZJXOKOBKS-NWDGAFQWSA-N	321.425	1.951	50	20	DDGD	
C[C@@]1(CNC(=O)C2(C(=O)O)CC=CC2)C[C@@H]1Br	1331344618	NWIJZAPPKMIWDY-KWQFWETISA-N	302.168	1.697	50	20	DDGD	
CC(C)[C@H](Cc1ccccc1)NC(=O)NNC(=O)c1cn[nH]c1	1331334444	GDCJDCCEEYMBPU-AWEZNQCLSA-N	315.377	1.621	50	20	DDGD	
CC(C)CN(CC(=O)NNC(=O)c1ccc(C#N)cc1)C1CC1	1345023201	GTZUUUOYLNCAGZ-UHFFFAOYSA-N	314.389	1.440	50	20	DDGD	
CCN(CC)CC[C@@H](C)NC(=O)/C(C#N)=C/c1cnn(C)c1	1347660315	LOSRQWOVTNYVRL-GULXKOIASA-N	303.410	1.564	50	20	DDGD	
N#Cc1ccc(Cl)c(NC(=O)C(=O)NNc2cccnn2)c1	1343339493	BWKUXGRQEPYPNH-UHFFFAOYSA-N	316.708	1.083	50	20	DDGD	
CN1CCN(C(=O)CCNC(=O)C2CCC(Cl)CC2)CC1	1351198398	NMSCIBYAZCIALD-UHFFFAOYSA-N	315.845	1.064	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NCCC(F)F)cc1	1523725571	CYNVPEMJDFVBAF-UHFFFAOYSA-N	315.320	1.613	50	20	DDGD	
O=C(CCc1ccc(C(=O)O)cc1)NNC(=O)[C@H]1CCCCO1	1608316080	BQAYHTFDRKHBKQ-CYBMUJFWSA-N	320.345	1.034	50	20	DDGD	
CC1(C)CO[C@H](CNC(=O)NNc2ccc(CC(=O)O)cc2)C1	1604547392	LQEOBLNZZFINSX-ZDUSSCGKSA-N	321.377	1.755	50	20	DDGD	
CCC(=NNC(=O)NCC(=O)O)c1ccc(OC(F)F)cc1	1604851501	GFSYTADQTORITO-UHFFFAOYSA-N	315.276	1.786	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)nn1	1602923289	UOJPAKJBYYKICQ-ZJUUUORDSA-N	321.381	1.654	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1c[nH]c2ccc(C(=O)O)cc12	1601355124	WMXVBLVJJVNZEV-UHFFFAOYSA-N	311.301	1.282	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cnc3cccnn23)cc1F	1602384722	VGYRXOILDYOYGE-UHFFFAOYSA-N	315.264	1.324	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2ccoc2)cc1C(=O)O	1600455686	VSMVCKLCKDKDAL-UHFFFAOYSA-N	303.274	1.753	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1cccc(O)c1F	1549905460	RNGUBYNWVNSBSM-SMDDNHRTSA-N	321.352	1.235	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)C1(C)C	1549316029	DQDGBHFHLDQYKC-OUCADQQQSA-N	309.410	1.157	50	20	DDGD	
O=C(O)CCc1csc(NC(=O)NNC(=O)C2CCC2)n1	1610778816	NEBAPTJYUZSYSY-UHFFFAOYSA-N	312.351	1.113	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=C1CCC[C@H](C(=O)O)C1	1610665946	PASMFWYSZSJNBJ-VIFPVBQESA-N	323.374	1.225	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C(=O)NN=C[C@@H]1CCOC1	1549309847	RCTBELPAGXFLEZ-RWMBFGLXSA-N	306.366	1.026	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@H]2NCCc3ccccc32)cn1	1579959247	PKIGQMJLBMDBOU-XYMPBJBSSA-N	321.384	1.330	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)N[C@@H]2[C@@H]3C[C@@H]2CN3)cc1	1575273403	XIACNQBEGGIYGR-XBFCOCLRSA-N	316.405	1.288	50	20	DDGD	
O=C(C[C@H]1CNc2ccccc21)NNC(=O)[C@@H]1CCCCO1	1580517288	KKOZXASGDZDAAJ-FZMZJTMJSA-N	303.362	1.302	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)CC(C)(C)O)C2	1845164052	ICJQQMKANQPDOG-LLVKDONJSA-N	316.829	1.368	50	20	DDGD	
COc1ccc(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)cn1	1591582284	FSQFCXTWQRWXJI-UHFFFAOYSA-N	323.316	1.034	50	20	DDGD	
CC(F)(F)C(=O)N1CCCC12CN(C(=O)C(Cl)Cl)C2	1842844362	IXDZEVHSSUYJDJ-UHFFFAOYSA-N	315.147	1.649	50	20	DDGD	
CC1=NO[C@@H](CNC(=O)NNc2ccc(F)c(C(=O)O)c2)C1	1594119869	ZLPADPUWWBYNKD-SECBINFHSA-N	310.285	1.315	50	20	DDGD	
CCOCCCCCC(=O)NNc1ccc(-c2nn[nH]n2)cc1	1590808811	KRUHEGYHIDCGPC-UHFFFAOYSA-N	318.381	1.907	50	20	DDGD	
CO[C@@H]1CCN(C[C@@H](CBr)C2CC2)[C@@H](C(=O)O)C1	1599125728	RRDLJOSZKHSUER-IJLUTSLNSA-N	320.227	1.972	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2ccc([N+](=O)[O-])cn2)cc1	1776100392	FHLBKTKPYMZFEW-UHFFFAOYSA-N	314.257	1.452	50	20	DDGD	
O=C(CCCc1nc(C2CC2)no1)NNC(=O)c1ccc[nH]1	158818829	AVDLLAQALZECAV-UHFFFAOYSA-N	303.322	1.059	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@@H]1Cc2cc(F)ccc2O1	151348529	BMTQANCTKILLNW-ZDUSSCGKSA-N	319.292	1.253	50	20	DDGD	
COc1cccc([C@H](O)C(=O)NNc2ccccc2[N+](=O)[O-])c1	154220048	QYMPTSLAPSKPMD-AWEZNQCLSA-N	317.301	1.780	50	20	DDGD	
O=C(C[n+]1ccccc1)N/N=C/c1c(O)ccc2ccccc12	1754244	MGKUPYZILVAUPP-UHFFFAOYSA-O	306.345	1.983	50	20	DDGD	
CC[C@@H]1CN(S(=O)(=O)c2ccc(CCl)cc2)C[C@H]1O	399926005	WFHMHOGGZCQIBY-DGCLKSJQSA-N	303.811	1.817	50	20	DDGD	
Cc1ccc(F)c(S(=O)(=O)NNC(=O)c2ccccc2)c1	55549168	IUQUOYWBPIYKHE-UHFFFAOYSA-N	308.334	1.757	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)COCc1ccccc1)C1CC1	172377440	RYCYPPWRTLDZPM-NSHDSACASA-N	307.419	1.497	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H](CCN(C)C)C(C)(C)C)n1	116566416	XQDYEFJYNCBCJJ-LLVKDONJSA-N	324.429	1.478	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CSc1ccc(C#N)cc1	103064494	XVSFBZKPBCWAGI-UHFFFAOYSA-N	314.370	1.450	50	20	DDGD	
Cc1ccc(F)c(S(=O)(=O)NNC(=O)c2cccn2C)c1	55574806	TXMNJGDSWMBKJU-UHFFFAOYSA-N	311.338	1.096	50	20	DDGD	
O=C(CSc1ccc(F)cc1)NNC(=O)Cc1cc[nH]n1	106416668	FWWIOVGSADXZGD-UHFFFAOYSA-N	308.338	1.031	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](C)N2[C@@H](C)CC[C@H]2C)n1	175389414	VKCSWKMUBVLCRJ-GRYCIOLGSA-N	307.398	1.498	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C2(c3ccccc3)CCCC2)cn1	117682130	VWMANGXJKVSCFX-UHFFFAOYSA-N	312.373	1.693	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CC[C@H]2CCOC2)c1	177609803	BEXYNGWBXJCCOU-ZDUSSCGKSA-N	306.362	1.338	50	20	DDGD	
CC(=O)N1CCN(C(=O)c2c(C)nn(CCCl)c2C)CC1	114158295	ICDPKHQUCGISKG-UHFFFAOYSA-N	312.801	1.043	50	20	DDGD	
Cc1ccc(C[C@H]2CCCN2CC(=O)NNC(=O)C2CC2)cc1	113263842	HZIBNLVOXRNLKF-MRXNPFEDSA-N	315.417	1.559	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CCCc1ccccc1)n1cncn1	68052929	BQKOLVLMWQAXDX-LBPRGKRZSA-N	301.350	1.009	50	20	DDGD	
C[C@H](CNC(=O)NNc1ncccn1)N(C)Cc1ccccc1	111875436	KPVPBXAYELXINQ-CYBMUJFWSA-N	314.393	1.623	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCCC(C)(C)C2)cc1	112702098	VUAZZPUSWSYOIE-UHFFFAOYSA-N	303.406	1.878	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)c(O)c1	21601101	KSXHORNORJKXHX-UHFFFAOYSA-N	314.345	1.377	50	20	DDGD	
CC(=O)Nc1nc(C(=O)NNc2cccc([N+](=O)[O-])c2)cs1	178840648	FFTYPSVRNQROFE-UHFFFAOYSA-N	321.318	1.767	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCC2(CO)CC2)cc1	305063807	KSTBICSGLSSYSL-ZROIWOOFSA-N	300.358	1.881	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)Nc1cccnc1	120984471	LPDYUFHVVMGSED-UHFFFAOYSA-N	300.318	1.451	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2cc(C#N)ccc2F)n1	174020220	DCBAFPPMURESOO-UHFFFAOYSA-N	314.324	1.931	50	20	DDGD	
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NNc1nc(C)cc(C)n1	62526669	QUBYJMAXMNUSKP-KCJUWKMLSA-N	308.386	1.023	50	20	DDGD	
Cc1ccc2c(c1)[C@H](NC(=O)NNC(=O)c1ccc[nH]1)CO2	120998413	NBAJEDXIFDVVHQ-GFCCVEGCSA-N	300.318	1.401	50	20	DDGD	
O=C(NNc1nnc(C2CC2)s1)c1ccc2c(c1)OCCO2	184493796	YMFKZVPWRMFABB-UHFFFAOYSA-N	318.358	1.944	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@@H]1CCCO1	32258302	CCDXSRNNHXUZFG-CABZTGNLSA-N	312.753	1.434	50	20	DDGD	
O=C(CSC(F)(F)F)NNc1nc(-c2ccncc2)no1	76453263	CFYDLNXQKQAAJP-UHFFFAOYSA-N	319.268	1.828	50	20	DDGD	
C[C@@H](C[S@](C)=O)NC(=O)NNc1cc(F)c(F)cc1F	182596888	UYTUROZNFNNSFN-SVPXGXJHSA-N	309.313	1.497	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1cc2cc(F)ccc2o1	186146194	ZUCDYYWPJWTCQH-UHFFFAOYSA-N	302.265	1.299	50	20	DDGD	
O=C(NNS(=O)(=O)c1cccs1)c1ccc(Cl)nc1	78989979	UCEBHZPYVSXKRA-UHFFFAOYSA-N	317.779	1.420	50	20	DDGD	
O=C(NNc1ccccn1)NC1CCN(C[C@H]2CCOC2)CC1	77670417	IOWJWCANXKOZDA-CYBMUJFWSA-N	319.409	1.209	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2nc3ccccc3s2)[nH]n1	129989560	LXEAMHNRLFAMDY-UHFFFAOYSA-N	301.331	1.403	50	20	DDGD	
Cc1noc(C)c1[C@H](C)NC(=O)NNC(=O)c1ccccc1O	73232706	DNIFJFYOEQJJJX-QMMMGPOBSA-N	318.333	1.702	50	20	DDGD	
CC[C@H](COC)NC(=O)NNC(=O)Cn1ccc2ccccc21	129031468	QFJPJIMKQURCBP-CYBMUJFWSA-N	318.377	1.397	50	20	DDGD	
CCc1c[nH]c(SCC(=O)NNC(=O)c2cccc(C)c2)n1	128857150	PIDFAUIPOGSTGI-UHFFFAOYSA-N	318.402	1.834	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1c[nH]c2ccc(OC)cc12	76222743	UQLUWNBKMBGZDM-UHFFFAOYSA-N	318.402	1.400	50	20	DDGD	
C[C@@H](C1CC1)n1cc(NC(=O)NNC(=O)c2cccn2C)cn1	189805358	CLTVMXQWVXQBNK-JTQLQIEISA-N	316.365	1.659	50	20	DDGD	
CN(NC(=O)c1ccc(OCc2ccccc2)nc1)C(N)=O	182642895	BCNJFPXBCNQXHX-UHFFFAOYSA-N	300.318	1.316	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNc2ccc(C(F)(F)F)cn2)c1	131756553	VDRRNTKLLNMOSU-UHFFFAOYSA-N	324.262	1.956	50	20	DDGD	
COCCOc1ccc(C(=O)NNC(=O)c2ccc(C)o2)cc1	84291078	ORLUEZDGSURAJC-UHFFFAOYSA-N	318.329	1.688	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)Cc2ccncc2)c1	81025154	GRCBUCVJRIMXTO-CYBMUJFWSA-N	313.357	1.547	50	20	DDGD	
O=C(Cc1ccc(F)cc1F)NNC(=O)NCC(F)(F)F	88255057	NCOSMTWHNFUUPW-UHFFFAOYSA-N	311.210	1.400	50	20	DDGD	
CC(C)C(=O)N1CCCN(CCI)CC1	190859940	OEDSXJYXDGCMNA-UHFFFAOYSA-N	324.206	1.612	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1nc(C)cc(C)n1)C1CCCC1	193261185	XJPXHEZCKJIJBQ-CYBMUJFWSA-N	305.382	1.231	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccn(-c3ccccc3)n2)o1	84291623	MCDMODOBMRDJJE-UHFFFAOYSA-N	310.313	1.849	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2ccccc2)c(O)c1	42065972	MECYKDOHHKTLQZ-UHFFFAOYSA-N	306.343	1.324	50	20	DDGD	
COc1ccc(C(=O)NNc2cccnn2)c(OC(F)F)c1	191015838	APPWBDXMXORMAI-UHFFFAOYSA-N	310.260	1.844	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2nc3cccnc3s2)n1	194032860	YJAYVEOHZDEECI-UHFFFAOYSA-N	321.753	1.474	50	20	DDGD	
CCC1(CC)[C@@H](NC(=O)NNc2ncccn2)[C@@H](C)[C@@H]1OC	92791785	BYEGAGCYGBZUTA-WOPDTQHZSA-N	307.398	1.942	50	20	DDGD	
O=C(NN=Cc1ccc([N+](=O)[O-])o1)[C@@H]1COc2ccccc2O1	252639552	YLPYHIGTTGYBFP-LBPRGKRZSA-N	317.257	1.478	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NNc2ncccn2)cc1	255767596	CZPBKFMXJQDVSH-RAXLEYEMSA-N	309.329	1.926	50	20	DDGD	
Cc1nc2c(cnn2C(C)C)cc1C(=O)NNC(=O)C1CCC1	264832698	ZKVSBPLDALCRNM-UHFFFAOYSA-N	315.377	1.882	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2CCOC3(CCC3)C2)n1	269247123	IRPSZDQOBUVPLV-GFCCVEGCSA-N	305.382	1.821	50	20	DDGD	
CCC(=O)N[C@H](CCSC)C(=O)NN(C)c1ccccc1	263784484	MFUXGQUKFIXXAD-CYBMUJFWSA-N	309.435	1.802	50	20	DDGD	
O=C(NNC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)c1ccncc1	362675706	UDLZYQHMFGSCTD-VDQHWBOFSA-N	315.373	1.174	50	20	DDGD	
COC[C@H]1CN(C(=O)NNC(=O)c2ccccc2C)C[C@@H](C)O1	275867802	JOYVYHRCLMPWFL-CHWSQXEVSA-N	321.377	1.085	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@H](C)O)ccc1OCCC(C)C	276081112	ICVJZPKCRHBVPC-NSHDSACASA-N	324.377	1.262	50	20	DDGD	
O=C(NN=c1nc(-c2ccccc2)[nH]o1)[C@@H]1OC[C@@H]2CCC[C@@H]21	368142163	IWMWVGWCNRQSKJ-RWMBFGLXSA-N	314.345	1.417	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@H]1CCCN1C1CC1)c1ccccc1	279051702	PIYPINJQZWTEEG-HNNXBMFYSA-N	315.417	1.738	50	20	DDGD	
CCOC(=O)c1[nH]ncc1/C=C(\C#N)C(=O)[C@@H]1CCCOC1	279976516	DZOJKALDNXLITA-VUUNSECVSA-N	303.318	1.489	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNC(=O)C2CC2)cc1OC	272585148	BPQSSCGUABVOKW-SNVBAGLBSA-N	306.362	1.440	50	20	DDGD	
CNC(=O)NNC(=O)Cc1ccc(C)c(Br)c1	275388810	GACGSMXBIZDBDU-UHFFFAOYSA-N	300.156	1.260	50	20	DDGD	
CSSCCNC(=O)N[C@@H]1CCc2nc(C)ncc2C1	375134938	NTSKZDWMJJENFW-LLVKDONJSA-N	312.464	1.953	50	20	DDGD	
C=C(C)[C@@H](CC(=O)NNC(=O)C(C)(OCC)OCC)OCC	287653524	AOGWDZPMUCAVDU-GFCCVEGCSA-N	316.398	1.294	50	20	DDGD	
CCOC(=O)CC(C)(C)CC(=O)NNC(=O)c1cccn1C	286994043	GANIGAWLDZQCBB-UHFFFAOYSA-N	309.366	1.156	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H]1C[C@H](c2ccccc2)OC1=O	289320839	TVEBWOBPWQSPEP-VXGBXAGGSA-N	304.346	1.484	50	20	DDGD	
CSSCCNC(=O)C[C@H](NC(N)=O)c1cccs1	284034135	JXHHRGTYOQBSSN-QMMMGPOBSA-N	319.477	1.975	50	20	DDGD	
COCC[C@@H](C)NC(=O)NNc1ccc2c(O)nccc2c1	287650451	JXWIQIIYTFKUJQ-SNVBAGLBSA-N	304.350	1.992	50	20	DDGD	
CCCC[C@@H](C)C(=O)NNC(=O)[C@H]1COc2ccccc2O1	282556864	NNTUOPVKPMTESS-BXUZGUMPSA-N	306.362	1.800	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1CCCN1Cc1ccccc1	281196046	KPOIIOIJMCZUKY-CQSZACIVSA-N	318.446	1.332	50	20	DDGD	
CC[C@@H](OC)C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	283679680	HHCLWJXUWVGNOF-SNVBAGLBSA-N	317.292	1.866	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NC[C@@H]2CCC(F)(F)C2)cc1	280430913	BDONLGBRBLBJNC-LLVKDONJSA-N	322.315	1.938	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2COCCN2C2CCCC2)nc(C)n1	287883456	GSLMXHNRRSZWNS-CQSZACIVSA-N	319.409	1.180	50	20	DDGD	
CSSCCNC(=O)N(C)CCN1CCOC(C)(C)C1	807228570	WGJAJIGRPNAOGA-UHFFFAOYSA-N	321.512	1.750	50	20	DDGD	
Cn1cc(Oc2ccccc2C(=O)NNc2cnccn2)cn1	801199976	YBHJPSPMFWETCP-UHFFFAOYSA-N	310.317	1.759	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)[nH]c2c1C(=O)CCC2	293778678	BIFONEAYYIDZRN-UFBFGSQYSA-N	319.361	1.171	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2ccc(-c3cnn(C)c3)s2)cn1	800812331	BHTUCHJCVNCWFV-UHFFFAOYSA-N	314.374	1.646	50	20	DDGD	
N#CCCCCCC(=O)NNC(=O)CCc1ccccc1O	805179854	TYVLBHGFCDTOEG-UHFFFAOYSA-N	303.362	1.946	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)C(C)(C)C)Cc1ccccc1	296672126	PMGZCSBZCDOUBR-ZDUSSCGKSA-N	307.394	1.621	50	20	DDGD	
Cc1ccnc(NNC(=O)c2ccc(F)c(S(C)(=O)=O)c2)c1	807035759	MQSJVHQGIAIVDD-UHFFFAOYSA-N	323.349	1.690	50	20	DDGD	
CSc1nc(C)c(CCC(=O)NNc2ccncn2)c(C)n1	295370584	DNVZVMVFSKREMF-UHFFFAOYSA-N	318.406	1.681	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Nc1nc(C)no1)c1ccccc1	296740034	HQJZGQMRDDDACX-LLVKDONJSA-N	303.322	1.725	50	20	DDGD	
CC(=O)NC1(C(=O)NNC(=O)c2ccccc2C)CCCCC1	299043427	WWXXAEUQCJJLNT-UHFFFAOYSA-N	317.389	1.595	50	20	DDGD	
C[C@H](OCc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCCO1	295272321	HSNGJGOEKJWUFU-GWCFXTLKSA-N	310.325	1.057	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ccncn1)N1C[C@H](C)O[C@H](C)C1	295554871	UHGCBQKOKRUCHD-MBNYWOFBSA-N	307.398	1.054	50	20	DDGD	
CC[C@@](O)(C(=O)NNc1cnccn1)c1cccc(Cl)c1	800539661	JESGYKSZIBCTDW-AWEZNQCLSA-N	306.753	1.871	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCc1cnn2ccccc12	804868711	NYYCATUXUSJWBL-UHFFFAOYSA-N	323.356	1.787	50	20	DDGD	
COCCN1CCN(CCO[Si](C)(C)C(C)(C)C)CC1=O	808742006	XCSVNCDTFCNQAC-UHFFFAOYSA-N	316.518	1.799	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cnc(C(C)(C)C)nc1	806323033	KHVWIIZTKOCHDQ-UHFFFAOYSA-N	301.350	1.187	50	20	DDGD	
COc1cccnc1CC(=O)NNC(=O)Cc1ccccc1F	806824462	MJWUMUHSAIQSEV-UHFFFAOYSA-N	317.320	1.162	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCOCC(F)(F)C1	292201892	PORDSEPGNJEORM-KPKJPENVSA-N	308.284	1.793	50	20	DDGD	
CNC(=O)c1cccc(NC(=O)NNc2cccc(F)n2)c1	806166321	URYKNKFIAVXSBG-UHFFFAOYSA-N	303.297	1.729	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)CN2CCC(C)CC2)c1	294049313	YBRSGLKEPPTLFX-UHFFFAOYSA-N	304.394	1.820	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C(=O)c1cccn1C	807777695	NYXNJZTWPXLZGX-UHFFFAOYSA-N	302.290	1.568	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)[C@H]1CSc2ccccc21	295297276	DVVGWMJZZAKHNI-NWDGAFQWSA-N	306.387	1.592	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	299315600	NUTKQOKEMHMLDC-RYUDHWBXSA-N	324.352	1.722	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)Nc1ccc2c(c1)OCO2)C(C)C	802095999	UMHKJZKXSZSUKJ-LBPRGKRZSA-N	309.322	1.239	50	20	DDGD	
C[C@H]1CSC[C@@H]1NC(=O)NNc1ccc(-n2cccn2)nn1	807476013	VOAMKGCPYNSQBT-UWVGGRQHSA-N	319.394	1.040	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccnc(C(F)(F)F)c1	809766508	ZLXZZGAQGPWPDE-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1cc(Br)ccc1Cl	816633087	MZYYXFDOCULSGP-UHFFFAOYSA-N	316.546	1.978	50	20	DDGD	
Cc1ccccc1-n1nc(C(=O)NNc2nc[nH]n2)c2c1CCC2	816633738	LESMTNPVSCPIKO-UHFFFAOYSA-N	323.360	1.544	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2CCCCCC(=O)C2)n1	813470020	SXQVSTSULSHWLQ-LLVKDONJSA-N	306.366	1.776	50	20	DDGD	
CCc1ccc([C@H]2CCN(CC(=O)NNC(=O)C3CC3)C2)cc1	814642295	PFYUUKPXTMNXII-INIZCTEOSA-N	315.417	1.596	50	20	DDGD	
CC(C)S(=O)(=O)c1ccccc1C(=O)NNC(=O)CC1CC1	819123105	PUDMXRCRUURLET-UHFFFAOYSA-N	324.402	1.430	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1cccnc1Cl	814953737	NCJUQKPYFBBDHM-UHFFFAOYSA-N	305.721	1.970	50	20	DDGD	
CCC/C(C)=C\C(=O)NNC(=O)COc1ccccc1OC	729297541	PROXZFZMJZVEIC-BENRWUELSA-N	306.362	1.968	50	20	DDGD	
COCCOc1ccc(NC(=O)NNc2ncncc2F)cc1	814570500	XTKBUEQOHUFGJY-UHFFFAOYSA-N	321.312	1.790	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cc2ccsc2[nH]1	728892180	PMTXMEPPXJZYHZ-UHFFFAOYSA-N	300.343	1.628	50	20	DDGD	
CCCN(CC)C[C@@H](C)NC(=O)NNC(=O)CC(C)(C)C	811972963	AKPMRJQSFQQWNO-GFCCVEGCSA-N	300.447	1.873	50	20	DDGD	
CCc1nc2ccc(Cl)cn2c1C(=O)NNC(=O)C(C)C	812452247	RDZXKEBPNQELBC-UHFFFAOYSA-N	308.769	1.967	50	20	DDGD	
CNC(=O)c1ccc(C(=O)NNc2ccccc2[N+](=O)[O-])cn1	728511930	HHCMPLUZOTZLDJ-UHFFFAOYSA-N	315.289	1.106	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)N[C@@H]2C=CCC2)cc1	821092877	RJLGJUACCJCHAT-LLVKDONJSA-N	305.334	1.123	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)[C@@H](C)c1ccccc1	827314629	HQWGXRYMXOARTG-OBJOEFQTSA-N	305.378	1.845	50	20	DDGD	
Cc1cc(O)cc2c1C(=O)C(=NNC(=O)Cc1cccnc1)O2	728786536	LRHRQGIBLCJJEW-UHFFFAOYSA-N	311.297	1.343	50	20	DDGD	
CCO/C=C/C(=O)NNC(=O)[C@@H](C)Oc1ccc(OCC)cc1	492878813	ANATYZWQCFNOFP-HCRIHEDKSA-N	322.361	1.550	50	20	DDGD	
CCOC(=O)[C@H](C)[C@H](C)NC(=O)/C(C#N)=C\c1cnn(C)c1	491163223	VRBKDTDDJQLWAP-RDKZWCBSSA-N	304.350	1.031	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cnc(C3CC3)s2)c1	729372470	NZUURZTVQYTDJN-UHFFFAOYSA-N	312.354	1.967	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCCCN2C2CC2)cn1	491136397	VLVWKWIUIUAHDG-VCHSTOLQSA-N	313.405	1.460	50	20	DDGD	
CCC(C)(C)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	494044333	OSVHHCIMQJACQO-UHFFFAOYSA-N	315.414	1.875	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC(F)(F)[C@@H](C)C1	827268220	MLTFRSDMWNJQMC-GUBZILKMSA-N	305.325	1.129	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1ccn(C)n1	727367858	JHNHAFJYTQIZTD-UHFFFAOYSA-N	308.725	1.157	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1c[nH]c2ncccc12	826446329	HYVDENDVJUPHOL-UHFFFAOYSA-N	320.316	1.500	50	20	DDGD	
C=CCC1(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CCCC1	826923549	RNCPUXGQRCVKMX-OLZOCXBDSA-N	309.410	1.878	50	20	DDGD	
CC(C)Cn1ncc(C(=O)NN(C)[C@@H](C)CO)c1C(F)F	823940277	WCEHAPLUWZVQIH-VIFPVBQESA-N	304.341	1.434	50	20	DDGD	
COC[C@@H](NC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)C(=O)O	823339219	SODPLMOYNKCIPW-FNOROQBZSA-N	320.183	1.156	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC1CCC(F)(F)CC1	826802829	MYAXRPJWGMICEZ-WPRPVWTQSA-N	305.325	1.320	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CCCC(=O)C1CC1	823222228	HSLYEILFLIPEEK-UHFFFAOYSA-N	304.346	1.606	50	20	DDGD	
CSSCCNC(=O)N1CC[C@H](OC(=O)N(C)C)C1	496695736	DTDMEYPJCZNMAM-VIFPVBQESA-N	307.441	1.480	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)C2CC2)CC1)c1cccc([N+](=O)[O-])c1	822121640	JZAPMVHGGUHPTN-UHFFFAOYSA-N	317.301	1.115	50	20	DDGD	
CC[C@@H](c1ccncc1)N(C)C(=O)c1ccc(B(O)O)c(F)c1	584947985	AYXQHEXBKSUCQB-HNNXBMFYSA-N	316.141	1.124	50	20	DDGD	
CC(C)NC(=O)[C@H](C)NC(=O)/C(C#N)=C\c1ccc(F)cc1	490968524	BUUFORABILSXRZ-LFTLCWSBSA-N	303.337	1.762	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccc(Br)c1)N(C)C	820340512	HGIKVWCPWKAFIA-MRVPVSSYSA-N	314.183	1.160	50	20	DDGD	
CCC(CC)[C@@H]1C[C@H](NC(=O)c2cccc(B(O)O)c2)CCO1	584971863	GNRVCJKTDMLBTN-CVEARBPZSA-N	319.210	1.080	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(Cl)nc(C(F)(F)F)c1	823799434	QCKQABPIMWZRTA-UHFFFAOYSA-N	310.663	1.718	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C1(C(=O)C2CC2)CC1	825529748	NEJHFTVJACXVQX-UHFFFAOYSA-N	316.357	1.144	50	20	DDGD	
CCC[C@@H](O)CC(=O)NNC(=S)NCCc1cccs1	820168515	BXWSJEKGDCNYHI-SNVBAGLBSA-N	315.464	1.337	50	20	DDGD	
CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](B(O)O)C1	585064204	NPPZDBBBROJRMZ-VIFPVBQESA-N	324.167	1.396	50	20	DDGD	
CC[C@@H](C)[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(F)(F)F	584981214	ADWWJLUGXHITFL-LDYMZIIASA-N	303.089	1.073	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@H]1c1ccc[nH]1	731847961	AGEZUTDGJBPLSP-OCCSQVGLSA-N	306.410	1.734	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21	905096626	QVKQFEALZUMKJK-ZEGGKSINSA-N	319.386	1.238	50	20	DDGD	
CC(CS(=O)(=O)c1ccccc1)=NNC(=O)c1cccn1C	735406540	FNAQFKKKEGECDK-UHFFFAOYSA-N	319.386	1.605	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCc3cc(F)ccc32)c(F)c1	585019900	JJYHPPIAAJQFDX-MRXNPFEDSA-N	303.117	1.422	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCc2ccc(F)cc2F)nn1	490697090	PXJAABJRFAOOFD-WMZJFQQLSA-N	303.272	1.317	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1csc2cncn12	733933908	RVVCMSPBFOTIRM-UHFFFAOYSA-N	318.333	1.539	50	20	DDGD	
CC1(C)C[C@]1(NC(=O)c1ccc(B(O)O)cc1)c1ccccc1	585011203	XZPFCQICTHTYKJ-SFHVURJKSA-N	309.174	1.422	50	20	DDGD	
O=C(NCB(O)O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1	585063442	ZKTZTWUYEDFNPV-UHFFFAOYSA-N	321.491	1.519	50	20	DDGD	
CCOC1(CNC(=O)NNC(=O)[C@@H]2CCCCO2)CCCC1	836481917	PIBUKLSIRKTLFG-LBPRGKRZSA-N	313.398	1.235	50	20	DDGD	
CC(=O)c1[nH]c(CC(=O)NNc2ccccc2)c(C(=O)O)c1C	736176778	HJSCLLKWSNMRII-UHFFFAOYSA-N	315.329	1.910	50	20	DDGD	
CC(C)C(=O)NCCN(C)C(=O)[C@@]1(C)C[C@@H]1Br	907187781	NFMRQSCJXONXOI-CABZTGNLSA-N	305.216	1.391	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1cccn1C)C(=O)c1ccccc1	732751232	MIMOFNCLHKCAJQ-LBPRGKRZSA-N	313.357	1.695	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1csc2cncn12	733928024	BDMIGRWDEGYILV-UHFFFAOYSA-N	314.370	1.790	50	20	DDGD	
C[C@]1(C(=O)NCC(=O)N2CCCCC2)C[C@@H]1Br	906547671	FNSXCHQMYQVTKE-CABZTGNLSA-N	303.200	1.289	50	20	DDGD	
COC(=O)C1(C#N)CCN(C[C@H](C)CBr)CC1	831699783	VQVKCEYMKVFSMW-SNVBAGLBSA-N	303.200	1.796	50	20	DDGD	
O=C(NN=C1C[C@]2(CCOC2)Oc2ccccc21)c1ncccn1	901253100	XZXDWWLBZGAULE-KRWDZBQOSA-N	324.340	1.552	50	20	DDGD	
CC(Cc1cnccn1)=NNC(=O)[C@H](C)CN1CCCCC1	834932162	BVTIWWMUANPJOI-CYBMUJFWSA-N	303.410	1.633	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)C1C2CC3CC(C2)CC1C3	833778303	AUMJKGVQKOZTOU-BPHCLYMKSA-N	306.406	1.775	50	20	DDGD	
CC(C)c1ccc(NNC(=O)C(=O)Nc2ccn(C)n2)cc1	835973446	YSZFXOCVTAMBQS-UHFFFAOYSA-N	301.350	1.625	50	20	DDGD	
CC(C)(C)OC(=O)C1(C(=O)NNc2ccccn2)CCOCC1	907235909	UILQJMLJMQDPKM-UHFFFAOYSA-N	321.377	1.663	50	20	DDGD	
CCN(C(C)=O)c1nc(C=NNC(=O)c2cnn(C)c2)cs1	735413822	QQFFIEFFXHNXTP-UHFFFAOYSA-N	320.378	1.013	50	20	DDGD	
O=C(NNC(=O)c1cc(O)cs1)c1cccc([N+](=O)[O-])c1	732257466	PMLZXAWSHQHSSH-UHFFFAOYSA-N	307.287	1.437	50	20	DDGD	
CC(C)(CO)[C@@H](CNS(=O)(=O)CCl)c1ccccc1	830923959	MMSHOQDVHMZULC-LBPRGKRZSA-N	305.827	1.904	50	20	DDGD	
COc1ncc[nH]c1=NNC(=O)/C=C(/C)c1ccc(F)cc1	588466754	UULDEYGDNTYNBQ-KTKRTIGZSA-N	302.309	1.593	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNC(=O)COc1ccc(C)cc1	839465328	LZSDHROVKAFTNM-ZDUSSCGKSA-N	322.361	1.111	50	20	DDGD	
C[C@@H]1CCC[C@@H]2CCCN(C(=O)c3ccc(B(O)O)cc3)[C@H]12	584933220	FNHSGBKFBMEKLU-XJKCOSOUSA-N	301.195	1.407	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccn(-c2cc(F)cc(F)c2)n1	910181245	AIVGNXFEMGEJTE-VIFPVBQESA-N	310.304	1.108	50	20	DDGD	
O=C(NNc1cccc(F)n1)N[C@@H]1C[C@H]2CCCCN2C1=O	836692108	OIPUCVGLTBFBNF-NXEZZACHSA-N	307.329	1.000	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C(C)Cc1cnccn1	834922281	CRCROEQPCZNELV-UHFFFAOYSA-N	314.345	1.599	50	20	DDGD	
CN(C)c1cccc(C(=O)NN[C@H](C(=O)O)c2cccnc2)c1	830643828	MVRBDWHJBMPQRM-AWEZNQCLSA-N	314.345	1.208	50	20	DDGD	
CC(C)(C)n1ncc(C(=O)NNC(=O)C2CC2)c1C(F)(F)F	918688146	KMZDWULUYCJNBH-UHFFFAOYSA-N	318.299	1.828	50	20	DDGD	
CC(C)CNC(=S)NNC(=O)COc1ccccc1C#N	916122211	VLUUDJSQGGPAAN-UHFFFAOYSA-N	306.391	1.088	50	20	DDGD	
C=C(C)CNC(=S)NNC(=O)[C@H](C)CN1CCCCCC1	747726176	QMJUNZRRTZVWCU-CYBMUJFWSA-N	312.483	1.570	50	20	DDGD	
O=C(CSc1ccccc1[N+](=O)[O-])NNC(=O)C1=CCCC1	844127918	WGCMSGCBSBBVPL-UHFFFAOYSA-N	321.358	1.945	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc2ccc(F)cc2c1	843660361	KBUPHRVYBGMQHJ-NOZJJQNGSA-N	317.320	1.560	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNc2ccc(CC(=O)OC)cc2)O1	846374459	QBZMDGPYFAYAQK-KGLIPLIRSA-N	306.362	1.803	50	20	DDGD	
COc1ccc(CCNC(=O)NNC(=O)C(C)C)c(OC)c1	746233295	OSPBNARYFREWHX-UHFFFAOYSA-N	309.366	1.233	50	20	DDGD	
N[C@@H]1CCCN(C(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)C1	846661732	FPQLCLYBQZEEBN-SBFPOUOMSA-N	301.228	1.890	50	20	DDGD	
CC(CCN(C)C)=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1	915954796	MAGDCINAKSKWSV-BPLDGKMQSA-N	312.458	1.176	50	20	DDGD	
COc1ccc(C(=O)NN=C[C@@]2(OC)CCOC2)cc1OC	841603750	IMHJEHDVJBSFKZ-HNNXBMFYSA-N	308.334	1.225	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2c[nH]nc2-c2ccccc2)n1	740102618	CWHZFOGNFUFCSV-UHFFFAOYSA-N	323.360	1.690	50	20	DDGD	
Cc1ccc([C@](O)(CC(=O)NN(C)C[C@@H](C)O)C(F)(F)F)o1	910160777	OTILTSQYLOHFNX-PRHODGIISA-N	324.299	1.072	50	20	DDGD	
CC(=O)Nc1c(C)cccc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843971639	DEFIZQCVILEFBD-ZYHUDNBSSA-N	319.361	1.139	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)c2ncccn2)cc1	743300386	CAGYCCSBUIWTCW-UHFFFAOYSA-N	317.374	1.507	50	20	DDGD	
COCCOCCNC(=O)NNc1c(F)cc(F)cc1F	914204967	DARRZDKCMMPPHP-UHFFFAOYSA-N	307.272	1.393	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CCO[C@H]2C)c([N+](=O)[O-])cc1O	842560716	YSQDDZOWBCBCMY-WPRPVWTQSA-N	323.305	1.184	50	20	DDGD	
C[C@@H](C(=O)Nc1cccc(NC(=O)NN(C)C)c1)n1cccn1	843870305	CWVTZBJEAIJBAA-NSHDSACASA-N	316.365	1.681	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1ccc(F)nc1	746241010	GBZWCODCOPRRIV-UHFFFAOYSA-N	300.253	1.423	50	20	DDGD	
Cc1ncc(C=NNC(=O)[C@@H](C)CN2C[C@H](C)O[C@H](C)C2)s1	917544136	XMCQCDUEDSHTSU-SDDRHHMPSA-N	324.450	1.647	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2c[nH]cc2C)c1	916725487	JNEAIAPZQBZLAQ-UHFFFAOYSA-N	303.318	1.415	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCOC1CCC1	743602278	GSLVFUCWPWVCBJ-UHFFFAOYSA-N	307.350	1.208	50	20	DDGD	
O=C(CN1CCC2(CC1)CC2(F)F)NNC(=O)c1ccccc1	844407549	NODOIFPVRAHIQO-UHFFFAOYSA-N	323.343	1.569	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2CCc3ncncc3C2)cc1	843518178	SGROZKONTZFDAN-CQSZACIVSA-N	324.384	1.605	50	20	DDGD	
CCc1c(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)[nH]c(C)c1C(C)=O	843646446	QJIFLWOQSKNPIT-JQWIXIFHSA-N	321.377	1.274	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)N[C@@H]1CCN2CCC[C@@H]2C1	916573772	PENMNEHQNWKPRP-DGCLKSJQSA-N	319.365	1.848	50	20	DDGD	
Cc1noc(-c2ccccc2C(=O)NNC(=O)c2ccc[nH]2)n1	742038229	IMHOOFNTXJHQJG-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
O=C(O)c1ccc2[nH]cc(C=NNC(=O)c3cnccn3)c2c1	740188572	CCISLNMLQNZLRX-UHFFFAOYSA-N	309.285	1.420	50	20	DDGD	
CCOCC(=O)NN=Cc1cn(-c2ccccc2F)nc1C	848405765	XWLOQIAHZRIOEB-UHFFFAOYSA-N	304.325	1.806	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)Cc2cc(C)no2)cc1	845088528	FCQGJXPOOPPFHN-UHFFFAOYSA-N	319.386	1.774	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=C1CCN(CCC(F)(F)F)CC1	842560154	FGEWFELYPHZNHI-CMPLNLGQSA-N	321.343	1.932	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(Cl)c(Cl)n1C	843640365	CDNQWUKJGTZUHH-NKWVEPMBSA-N	320.176	1.518	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc([N+](=O)[O-])c(O)c1	748134266	VEVTUZLGTRQMPD-UHFFFAOYSA-N	308.338	1.482	50	20	DDGD	
N[C@@H]1CCC[C@H](NC(=O)NNc2cc(F)c(F)c(F)c2)C1	841983510	SZYHTFSESNYVOV-SFYZADRCSA-N	302.300	2.000	50	20	DDGD	
Cc1ccc(F)c(-n2cc(O)c(C(=O)NNC(=O)C3CC3)n2)c1	748014850	UDBHVLAWYUMLMK-UHFFFAOYSA-N	318.308	1.196	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNC(=O)COc1cc(C)cc(C)c1	841375213	BXETYQDIDWKGBB-HNNXBMFYSA-N	322.405	1.891	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCN(C2CCC2)CC1	866783817	WPAKRXIVMLFUHG-UHFFFAOYSA-N	308.875	1.751	50	20	DDGD	
NNC(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F	841047967	FLSZFITUWZBNQD-UHFFFAOYSA-N	304.272	1.537	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c2c1CCC2	843663321	XVOJPUGXAISBFL-YPMHNXCESA-N	302.374	1.670	50	20	DDGD	
Cc1cc(NNC(=O)C2(S(C)(=O)=O)CC2)ccc1Cl	928339766	JYTBIBIXHKITLW-UHFFFAOYSA-N	302.783	1.669	50	20	DDGD	
CC1(C)CCC[C@@H](C=NNC(=O)Cc2cc(O)nc(O)n2)C1	752734521	QWSVUQSXIBYYCZ-SNVBAGLBSA-N	306.366	1.749	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1ccc2nc(O)oc2c1	920855850	COBZKXJHSUGAEU-UHFFFAOYSA-N	316.273	1.271	50	20	DDGD	
CCN(CC)[C@H](C(=O)NN(C)C(=S)NC)c1ccccc1	854924285	STSSVNGOEODIIB-ZDUSSCGKSA-N	308.451	1.537	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCCOC[C@@H]1CCOC1	752192806	AFGCGLRZIKJWSH-WJQTUHTMSA-N	318.348	1.902	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1Cl	858093066	QVVYKDWDYXDHJD-KWQFWETISA-N	324.768	1.010	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1C(=O)NNC(=O)c1ccncc1	756802996	WDVAVVCDACLWFV-UHFFFAOYSA-N	316.273	1.073	50	20	DDGD	
CSC[C@H](C)C(=O)NNC(=S)NCCc1cccs1	753076719	HKUBMBJNMXIIBD-VIFPVBQESA-N	317.505	1.785	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C2(C(=O)C3CC3)CC2)ccc1C	857264106	NPKLVMODQHYHBQ-UHFFFAOYSA-N	316.357	1.984	50	20	DDGD	
C[C@H]1CC/C(=C/C(=O)NNC(=O)c2ccc3c(c2)OCO3)C1	753561474	CIKUHRZFULZGEM-QBQSQJOESA-N	302.330	1.923	50	20	DDGD	
CC(=O)N[C@H](CC(C)C)C(=O)NNC(=O)CCc1ccccc1	859006487	PBUSBCHPECQZAD-OAHLLOKOSA-N	319.405	1.317	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1C(=O)Nc2c(F)cccc21	753956806	WYSLMGVGJZLSLI-UHFFFAOYSA-N	306.341	1.330	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(F)cc1OC(F)F	756776033	UPSGYXIYBJJVIP-UHFFFAOYSA-N	321.255	1.616	50	20	DDGD	
NC(=O)COc1ccc(C=NNC(=O)OCC(F)(F)F)cc1	853431638	FZVRMRGJZQUEHK-UHFFFAOYSA-N	319.239	1.173	50	20	DDGD	
C[C@]1(CN2C(=O)CN(C3CCC3)C2=O)C[C@@H]1Br	857228023	XMPDYFAYLNGXEZ-JOYOIKCWSA-N	301.184	1.977	50	20	DDGD	
COC(=O)[C@H]1CN(C[C@@H](CBr)C2CC2)CCO1	859119970	YYMLTYPDMRENOH-GHMZBOCLSA-N	306.200	1.281	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2c[nH]nc2C)ccc1N(C)C	755746626	OPIXEYYRCZIASD-UHFFFAOYSA-N	316.365	1.559	50	20	DDGD	
CC[C@H](C)n1nc(NC(=O)NNC(=O)c2cc(C)[nH]n2)cc1C	757909911	GXBPUDSCCYLVDZ-VIFPVBQESA-N	319.369	1.661	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC2(OC)CCC2)c1C	853971322	WATLZEAARPGYAK-UHFFFAOYSA-N	321.377	1.977	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1csc2cncn12)C1CC1	855100789	JBUWRKWHISXJJI-ZETCQYMHSA-N	309.420	1.303	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1nccc2occc12	854286407	ZPCUGUAFEFAUBF-UHFFFAOYSA-N	322.390	1.315	50	20	DDGD	
CC(C[C@H]1CCOC1)=NNC(=O)Cc1cn2ccccc2n1	751528624	FQDWFWBGUNOMNB-CYBMUJFWSA-N	300.362	1.796	50	20	DDGD	
CCO[C@H](C(=O)NNc1ccc(C(=O)OC)cc1F)C1CC1	861940092	LLZDHZCWZDUIQF-ZDUSSCGKSA-N	310.325	1.871	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cc(F)c(F)c(F)c1F	762088143	RIJSYLVSXICLGZ-UHFFFAOYSA-N	304.178	1.929	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H](Br)C(C)(C)C	767318924	BMJPZUIIVNCDCP-QMMMGPOBSA-N	324.219	1.163	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNCC(F)(F)C(F)(F)F	863098327	DIIHKHRYXNKLKJ-NKWVEPMBSA-N	302.243	1.810	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc(C)c(F)c1F	867162227	HXFDZOCQTZATMY-UHFFFAOYSA-N	319.402	1.745	50	20	DDGD	
Cc1ccc(CO[C@@H](C)C(=O)NNC(=O)CC(F)(F)F)cc1	862058147	PCKFXFOMXHZCJK-JTQLQIEISA-N	318.295	2.000	50	20	DDGD	
CCOC(=O)N1CCC[C@H](C(=O)NNc2cccc(C)n2)C1	862524820	VTYSFFIEIRYTTI-LBPRGKRZSA-N	306.366	1.702	50	20	DDGD	
Cc1ccc(NCC(=O)NN=C2CCS(=O)CC2)c(C)c1	761805742	XXWSKYTWZMWDMZ-UHFFFAOYSA-N	307.419	1.730	50	20	DDGD	
CC(C)c1ccc(NC(=O)C(=O)NNC(=O)CO)c(C(C)C)c1	764420424	GCLFXBCMTUZHMN-UHFFFAOYSA-N	321.377	1.012	50	20	DDGD	
C[C@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)CC(C)(C)CCl	866953867	PLCHBJGMUHTQDU-JQWIXIFHSA-N	308.875	1.654	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C2CCSc3ccc(F)cc32)N1	863146380	QURJCWIXUCKJFT-LLVKDONJSA-N	307.350	1.420	50	20	DDGD	
COc1ccc(C)nc1NC(=O)NNc1nccnc1OC	765293809	YZCMSOSRLMIPOC-UHFFFAOYSA-N	304.310	1.346	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)N[C@H](C)c2cccs2)n[nH]1	764498597	WVKDFYFWKXIWRM-MRVPVSSYSA-N	309.420	1.650	50	20	DDGD	
COCC(=O)NNC(=S)Nc1ccc(OC)c(Cl)c1	761836345	ATOFXZNIKQXBIP-UHFFFAOYSA-N	303.771	1.313	50	20	DDGD	
CC(C)N1CCC[C@@H]1C(=O)NNc1ccc2c(=O)[nH]ccc2c1	935871251	OMVBFGXZQZDAMO-OAHLLOKOSA-N	314.389	1.844	50	20	DDGD	
O=C(Cn1nc(C(F)F)cc1C(F)F)NN=c1cc[nH]cc1	935292694	OKPULGNTNPFWIG-UHFFFAOYSA-N	317.246	1.719	50	20	DDGD	
CCC1(CC)[C@@H](NC(=O)NNc2nccc(OC)n2)C[C@@H]1OC	767162465	VLFDIXSXLGSJCT-QWRGUYRKSA-N	323.397	1.705	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNC(=O)Cc2ccccc2C)n1	866670420	LQOCRBASFKBXIG-ZDUSSCGKSA-N	314.389	1.526	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)Nc2ccc(Cl)nc2)n[nH]1	764498559	UZBUZSBQXFSEDJ-UHFFFAOYSA-N	310.770	1.398	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)n[nH]1	767404203	YRTVBIMOAVETBL-UHFFFAOYSA-N	303.278	1.025	50	20	DDGD	
C/C=C(/C=C\C(=O)OCC(=O)NNC(=O)c1cccs1)CC	767662260	IRUKVLKYFVGKOV-BTMWQIBTSA-N	322.386	1.965	50	20	DDGD	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NNC(=O)c1cn[nH]c1	862473142	GCFYPUMXCQMXRR-MRVWCRGKSA-N	322.409	1.648	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)c2c[nH]nc2C)[C@H](C)C1	761267172	ORYALRDIZSYPKZ-MWLCHTKSSA-N	306.366	1.803	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc(S(C)(=O)=O)cc1)C(F)(F)F	862304478	OYABUGQPYVOAPF-SSDOTTSWSA-N	310.297	1.275	50	20	DDGD	
N#Cc1cccc(NNC(=O)Nc2ccc(-n3nccn3)nc2)c1	769966617	RHSYPPDTHQUHND-UHFFFAOYSA-N	320.316	1.683	50	20	DDGD	
COc1ccc(NNC(=O)CNC(=O)c2ccc(C)s2)nc1	1116713949	VSPAGEYHYOLUMY-UHFFFAOYSA-N	320.374	1.333	50	20	DDGD	
COC[C@@](C)(O)C(=O)NNC(=S)Nc1ccc(C)c(C)c1	873763957	PCZCXQKOBUCMBL-CQSZACIVSA-N	311.407	1.018	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)c2coc(C)n2)cc1OC	776319225	BDMKSSWTGOHQOQ-UHFFFAOYSA-N	319.317	1.465	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cnc([C@H](C)O)s1	1116803865	IVUAOQVYFGSHOU-LURJTMIESA-N	311.392	1.307	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2[nH]cnc2C)c1	873772956	NMTGMBHISKNFOW-UHFFFAOYSA-N	302.334	1.175	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1CCCOc2c(F)cccc21	875467191	HZZCAJYBFUXBLR-NSHDSACASA-N	311.313	1.952	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)c2nc3ccccc3s2)CO1	874913538	FCMCLBZDKXLEOQ-BDAKNGLRSA-N	305.359	1.482	50	20	DDGD	
Cn1ccc(NNC(=O)CN(C(=O)OC(C)(C)C)C2CC2)n1	1118047876	GSEBICPCXVQSDH-UHFFFAOYSA-N	309.370	1.263	50	20	DDGD	
COc1cc(O)ccc1C=NNC(=O)Cn1nc(C)cc1C	1115821883	UKRDQMCKIZMBMC-UHFFFAOYSA-N	302.334	1.364	50	20	DDGD	
Cc1onc(CC(=O)NNc2cccc([N+](=O)[O-])c2C)c1C#N	779534190	MEABCKMZRCONIJ-UHFFFAOYSA-N	315.289	1.757	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCC1CCN(C(C)C)CC1	876027454	HGRINYOAAASZAE-UHFFFAOYSA-N	300.403	1.409	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2nccnc2C(C)C)nc1	772831339	RBZYYIGBUZVFSN-UHFFFAOYSA-N	315.333	1.539	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](C)Oc1ccc(F)c(F)c1	770548762	IXWQUDYEAKRYGN-MRVPVSSYSA-N	301.293	1.425	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2c[nH]c(C#N)c2)cc1	779188203	ZSKOANNLTAWQJW-UHFFFAOYSA-N	312.329	1.289	50	20	DDGD	
CCOCCC1(CNC(=O)NNc2ccc(C#N)cn2)CC1	888637308	GQSROWIVAIRSHW-UHFFFAOYSA-N	303.366	1.786	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCC[C@@H]2CCCC[C@@H]2O)cn1	887554110	LIAJUVMEGVHKDQ-LNLKOLKKSA-N	302.378	1.384	50	20	DDGD	
CN(C[C@@]1(O)CCc2ccccc21)S(=O)(=O)CCCCl	882302631	IRLWJGGHUKCEGK-AWEZNQCLSA-N	317.838	1.711	50	20	DDGD	
O=S(=O)(CCCCCl)NC[C@H](CO)Cc1cccnc1	882329923	MGINAQGPXLQDGT-CYBMUJFWSA-N	320.842	1.171	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cc(C(F)F)[nH]n1	880852683	RGWINELXXIJIND-UHFFFAOYSA-N	308.157	1.779	50	20	DDGD	
COC(=O)[C@@H]1CC12CCN(S(=O)(=O)CCCCCl)CC2	780774396	AMCUQSGKWIILJE-NSHDSACASA-N	323.842	1.610	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(-c2cccc(Cl)c2)on1	786046629	OWPNWURTNYYNLR-UHFFFAOYSA-N	324.724	1.794	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2ccc(Cl)s2)CC1	788168943	HNAXAMVSNCMALA-UHFFFAOYSA-N	302.787	1.003	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)Cc2ccc(F)cc2)cn1	788266453	BJDUIZNEJZVNNN-UHFFFAOYSA-N	302.309	1.266	50	20	DDGD	
N#Cc1cccc(-c2cc(C(=O)NNC(=O)c3ccc[nH]3)on2)c1	789880807	UTQGJAZHBATCIN-UHFFFAOYSA-N	321.296	1.616	50	20	DDGD	
Cc1ccc2c(c1)CC[C@@H](C(=O)NNC(=S)NC(C)(C)C)O2	798123815	ANKJQOICBAFQCP-ZDUSSCGKSA-N	321.446	1.982	50	20	DDGD	
COC1(CC(=O)NNC(=O)c2c(C)nc3ccccn23)CCC1	790214327	GWGGZAYLJZWREW-UHFFFAOYSA-N	316.361	1.363	50	20	DDGD	
CSSCCNC(=O)NCCC(=O)N1CCCCC1	790669978	OEGZRSZLWXOFLI-UHFFFAOYSA-N	305.469	1.699	50	20	DDGD	
COCCOc1cccc(C=NNC(=O)N2CCN(C)CC2)c1	790173041	COMVBZJIGGMBNA-UHFFFAOYSA-N	320.393	1.003	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=C2CSC[C@@H]2C)C[C@@H](C)O1	794878207	FIZDLRPCDVGFKA-ZDEQEGDKSA-N	313.467	1.587	50	20	DDGD	
Cc1nc2cc(F)c(F)cc2n1CC(=O)NNC(=O)C(C)C	792810672	XHGMGFZZEDRPJK-UHFFFAOYSA-N	310.304	1.426	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)[C@H]1Cc2ccc(F)cc21	794901477	GOTYINFCPUUGER-HNNXBMFYSA-N	313.332	1.725	50	20	DDGD	
Cc1ccc(C(=O)NN=C2CC(=O)N3CCCC[C@H]23)c(O)c1	799477158	IZEMKGCWFHPSLO-CYBMUJFWSA-N	301.346	1.571	50	20	DDGD	
C[C@H](C#N)Oc1ccc(C=NNC(=O)N2CCN(C)CC2)cc1	790180966	GFSRGLHTTWTIGJ-CYBMUJFWSA-N	315.377	1.268	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(OCC2CC2)cc1	790167381	RFCBOWARSRSLOS-CYBMUJFWSA-N	320.389	1.977	50	20	DDGD	
COc1c(C(=O)NNc2ccc(Cl)nn2)cccc1[N+](=O)[O-]	795109814	AFESHJYSQSMWFD-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
Cc1cc(NNC(=O)Cn2ccc3ccccc3c2=O)ncn1	790723493	ISDZHJMJJHNVHA-UHFFFAOYSA-N	309.329	1.243	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCc2ccccn2)cc1	1317899675	WLHRRFCENUJLOR-UHFFFAOYSA-N	300.318	1.234	50	20	DDGD	
Cc1c(NNC(=O)NCc2nnc(C)n2C)cccc1[N+](=O)[O-]	1318350772	NNSQMQQYWNWVLF-UHFFFAOYSA-N	319.325	1.166	50	20	DDGD	
N#Cc1ccc(CC(=O)NNc2nncc(N)c2Cl)cc1	1319220343	RVCVMTKSDCJXFO-UHFFFAOYSA-N	302.725	1.270	50	20	DDGD	
CO[C@@H]1C[C@H](NC(=O)NNc2nncc(N)c2Cl)C1(C)C	1319393843	MVQAXPPKWHZPSL-JGVFFNPUSA-N	314.777	1.152	50	20	DDGD	
COCCC(C)(C)CNC(=O)NNC(=O)c1ccc(OC)cc1	1320290824	XDGGHASPPCBVDD-UHFFFAOYSA-N	323.393	1.702	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)C1(C(C)(F)F)CC1	1328623135	BOIYEEGGBCOSOJ-UHFFFAOYSA-N	322.315	1.839	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H]2OCCC[C@H]2C1)c1cccc(F)n1	1329926520	VCAHUMFOUOXGEL-CMPLNLGQSA-N	322.340	1.076	50	20	DDGD	
CC(C)N1CC(=NNC(=O)c2n[nH]c3c2CCCC3)[C@H](C)C1	1323683422	JUGJAPRMQUKYCZ-LLVKDONJSA-N	303.410	1.734	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(OCC2CC2)nc1	1327149580	FHDIMSXXQHJRBW-GWCFXTLKSA-N	319.361	1.056	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H]1CCC(=O)c2ccccc21	1327358161	TUJDJUJHYPSGBP-LBPRGKRZSA-N	305.403	1.650	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1ccc(C(C)C)nc1	1337289777	AOYANRSEIOJIJJ-UHFFFAOYSA-N	313.361	1.990	50	20	DDGD	
CN(C)[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ccccc1	1251774924	GZZUVVLLMSEJCG-UONOGXRCSA-N	304.394	1.503	50	20	DDGD	
CCc1ncncc1C(=O)NNc1cncc(Br)c1	1253717777	CDZJQRFQUFGFMX-UHFFFAOYSA-N	322.166	1.953	50	20	DDGD	
C#CCOCCNS(=O)(=O)c1ccc(CCCl)cc1	784452200	SCNXWAJLBOYSIV-UHFFFAOYSA-N	301.795	1.396	50	20	DDGD	
CN(CC(C)(C)O)c1nnnn1C[C@]1(C)C[C@@H]1Br	1335973799	BJSHJRMVZJXNOW-KWQFWETISA-N	318.219	1.054	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cccc(COC(C)(C)C)c1	1348225002	MGLKHKOPJDUNLH-UHFFFAOYSA-N	321.377	1.498	50	20	DDGD	
CO[C@@H](C(=O)NNc1cccc(C(=O)O)c1C)[C@H]1CCOC1	1606650438	LHNIDOUOOHDLPB-GXFFZTMASA-N	308.334	1.188	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1cccc(CC(=O)O)n1	1603469887	ATQZDWPJZUIOTM-UHFFFAOYSA-N	310.310	1.270	50	20	DDGD	
O=C(O)[C@@H]1CCN(S(=O)(=O)CCCCl)[C@H]2CCC[C@H]21	1601829672	VNGPHBGFAJXESU-AXFHLTTASA-N	309.815	1.520	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cn3c(n2)CCC3)c(F)c1	1608904880	NLQZNQBHWHFMBO-UHFFFAOYSA-N	304.281	1.424	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CC[C@H](C(=O)O)[C@@H]2CCCC[C@@H]21	1605616837	UAQOVKOKZUNWCS-PFRGIXQRSA-N	306.362	1.922	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2cnc(C)c(C(=O)O)c2)n1	1607631997	DFCDKHFRDUTLIO-UHFFFAOYSA-N	316.321	1.644	50	20	DDGD	
O=C(O)c1cc(OC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)ccc1[N+](=O)[O-]	1602288227	MHCNCEOENDHBQR-XXFPWJFMSA-N	307.258	1.766	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCC[C@@H](CC(=O)O)C2)cn1	1605491013	KOZWQXLSAZIXRZ-CBJCJLNRSA-N	302.334	1.040	50	20	DDGD	
Cn1cnc(CCNC(=O)NNc2ccc(F)c(C(=O)O)c2)c1	1610611405	SDMLOCMIEIJOGL-UHFFFAOYSA-N	321.312	1.126	50	20	DDGD	
O=C(NNc1ncccc1F)C(=O)Nc1cccc(C(=O)O)c1	1610699808	JVRHUGFSCSHSHJ-UHFFFAOYSA-N	318.264	1.001	50	20	DDGD	
COc1ccc(NNC(=O)Nc2cccc(CC(=O)O)n2)nc1	1610342511	LUOAZCZZJOLCHG-UHFFFAOYSA-N	317.305	1.261	50	20	DDGD	
C[C@@]1(C(=O)NNc2cc(C(F)(F)F)ccc2F)C[C@@H](O)CN1	1576350254	MYJNIFHYYNAGFR-PELKAZGASA-N	321.274	1.401	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@@H]1CN1CCC[C@@H](CNC(=O)[C@H]2CCCN2)C1	1576572808	NAACNNIAJXFTEJ-AHDPXTMNSA-N	313.873	1.440	50	20	DDGD	
CC(=NNC(=O)C(=O)O)c1sc(Cc2ccccc2)nc1C	1589011539	ZMGZBCCUWKLFBO-UHFFFAOYSA-N	317.370	1.967	50	20	DDGD	
O=C(C(Cl)Cl)N1CCCC12CN(C(=O)C13CC(C1)C3)C2	1846389249	SSLOWLTVWMOEIA-UHFFFAOYSA-N	317.216	1.794	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2cncs2)o1	1589775346	MNOQLLZETPMJOP-UHFFFAOYSA-N	320.338	1.192	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNc2nc3ccccn3n2)c1	1594288210	DQBKNRUTYHNKFV-UHFFFAOYSA-N	311.301	1.493	50	20	DDGD	
CCc1cc(CC(=O)NNc2cccc(F)c2C(=O)O)n(C)n1	1597471611	WYNSVOYJVKXYRO-UHFFFAOYSA-N	320.324	1.506	50	20	DDGD	
COc1ccc(NNC(=O)Nc2cccc(C(=O)O)n2)nc1	1599598321	VKLPTIUCOLRMSD-UHFFFAOYSA-N	303.278	1.332	50	20	DDGD	
O=C(O)Cc1cccc(NC(=O)NNc2ncc(F)cn2)c1	1595132656	CMQRTTUKNWLZEP-UHFFFAOYSA-N	305.269	1.391	50	20	DDGD	
Cc1[nH]c(C(=O)O)c(C)c1C(=O)NNC(=O)c1ccccc1O	1599957266	LNWBKEFQLUVQAN-UHFFFAOYSA-N	317.301	1.110	50	20	DDGD	
CC[C@@](C)(C(=O)O)N(CC1CC1)S(=O)(=O)CCCCl	1594784808	HRFINTLLGDHODM-LBPRGKRZSA-N	311.831	1.910	50	20	DDGD	
COc1cc(C)ncc1C=NNC(=O)c1ccc(C(=O)O)cc1	1776101398	GHNXJDXKCPOTOB-UHFFFAOYSA-N	313.313	1.861	50	20	DDGD	
CO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl	1796810083	OWPBDOSIZBYBDK-HHKYUTTNSA-N	306.765	1.194	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)c2cc(C)n[nH]2)cc1	5818203	ZUYAGNKISUJSAO-VMPITWQZSA-N	300.318	1.201	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)C2CCCC2)nc2ccccc21	15926396	KNMGDQCDKZNJQD-UHFFFAOYSA-N	300.362	1.453	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1	158729339	JYFRNCUVNGUUMT-OFLZDLGMSA-N	309.410	1.434	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)N[C@@H](C)C2CC2)cc(Cl)n1	160747549	JYCLDAVKFWDEEB-QMMMGPOBSA-N	312.826	1.951	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNc1ncccc1[N+](=O)[O-]	153154516	ZUUBYQMZALXKLG-UHFFFAOYSA-N	309.326	1.082	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(C(F)(F)F)cc1)S(C)(=O)=O	153783278	NKJLXRKEXQTWHO-ZETCQYMHSA-N	310.297	1.582	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNc1ncnc2nc[nH]c12	156292314	NMPKGPACEAOZFN-UHFFFAOYSA-N	307.317	1.520	50	20	DDGD	
C[C@@](O)(CNS(=O)(=O)c1ccc(CCCl)cc1)C1CC1	313055491	SUUJKXKKPCIAQP-CQSZACIVSA-N	317.838	1.907	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C	742467361	ALEFFMPBHQADNW-VIFPVBQESA-N	317.386	1.846	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCCc1ccccc1F	103505269	AQMVWIPEHDILDE-UHFFFAOYSA-N	316.336	1.336	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(NC(=O)C3CC3)cc2)ncn1	172274596	JVARPTQCNBUDRM-UHFFFAOYSA-N	311.345	1.890	50	20	DDGD	
C[C@H](O)CC(C)(C)CNC(=O)NNc1ccc(Cl)nn1	175563869	YMBPWGDEIGJUMC-QMMMGPOBSA-N	301.778	1.553	50	20	DDGD	
O=C(CN(Cc1cccc(O)c1)CC1CC1)NNC(=O)C1CC1	112978193	UONVFSWAVLIMGT-UHFFFAOYSA-N	317.389	1.162	50	20	DDGD	
COC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)CCl	104327197	DMBFLLSDBOLIRP-NSHDSACASA-N	303.767	1.112	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1cc(C2CC2)[nH]n1	171565217	BMGRNVHPRNPATA-UHFFFAOYSA-N	314.345	1.387	50	20	DDGD	
Cc1nn(C)c2ncc(C(=O)NNC(=O)c3ccccc3)cc12	23703298	UEEWBSGGYXEIQZ-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CC1(O)CCCC1	118757472	VLQUXDZAGABXIU-LLVKDONJSA-N	324.352	1.436	50	20	DDGD	
CCOC(=O)N[C@@H](C(=O)NNC(=O)NC1CCCC1)C(C)C	68283644	RQZILGQSJYXHEW-LLVKDONJSA-N	314.386	1.030	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccnc(OCC(F)F)c1	179889657	YFSUOOCHRPYOCS-UHFFFAOYSA-N	316.333	1.020	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NNc2cc(C)ncn2)C1	172283945	FNIAHUVGZKAYDH-DGCLKSJQSA-N	319.409	1.513	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)COC(C)C)cc1OC	63664186	NMLVPQNDPWLPFO-UHFFFAOYSA-N	324.377	1.670	50	20	DDGD	
CC(C)CN1CCC[C@@H]1C(=O)NNC(=S)N[C@H](C)C1CC1	1358367697	IAMHGSBQECMIAO-DGCLKSJQSA-N	312.483	1.401	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H]1C[C@@H]1C1CC1	175823764	GFBKJQUPFLZNIR-ZIAGYGMSSA-N	302.374	1.821	50	20	DDGD	
CCONC(=O)NNC(=O)c1cccc(Br)c1	174602524	CGVWCRNVGABPJR-UHFFFAOYSA-N	302.128	1.345	50	20	DDGD	
Cc1occc1C(=O)NNC(=O)[C@H]1COc2ccccc2O1	21191400	TUFDZYKESMUUDL-CYBMUJFWSA-N	302.286	1.189	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1coc2cc(C)ccc12	68461527	NIRDHFCHSKQFBT-UHFFFAOYSA-N	319.361	1.651	50	20	DDGD	
C[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)COCc1ccccc1	125917004	BYGKSCCUKOMQMA-OCCSQVGLSA-N	305.378	1.722	50	20	DDGD	
CCN(CC)CC(=O)NNC(=O)c1ccc2ccccc2n1	68011446	YGCKOXGKWCXPQY-UHFFFAOYSA-N	300.362	1.338	50	20	DDGD	
O=C(NC[C@@H]1CCCO1)NNC(=O)c1ccc2ccccc2c1	129045787	AQDNLNIBUYPNFJ-HNNXBMFYSA-N	313.357	1.963	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)N[C@H]1CC(=O)N(C2CC2)C1	181432638	PUCCPCCOJYGLEK-VIFPVBQESA-N	309.757	1.124	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccccn2)cc1S(C)(=O)=O	181206757	KIOYBZXIAJDQCP-UHFFFAOYSA-N	305.359	1.550	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CC=CCC1	77639632	SOMDMTQTBOUMTE-NSHDSACASA-N	304.306	1.648	50	20	DDGD	
CCO[C@H](CC)C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	128651150	CDLLYCPHVNAUCI-CQSZACIVSA-N	316.361	1.653	50	20	DDGD	
O=C(NCc1nc(C2CC2)cs1)NNC(=O)[C@@H]1CCCO1	123452911	CBPBDWYHLOEEKE-JTQLQIEISA-N	310.379	1.030	50	20	DDGD	
Cc1nc(CCCC(=O)NNC(=O)NCC(F)(F)F)cs1	78396688	ICMFHSXTHNAUIJ-UHFFFAOYSA-N	324.328	1.667	50	20	DDGD	
O=C(NNc1cccnn1)[C@H]1COc2ccc(Cl)cc2C1	77033195	LKKODHLFXZVDKJ-SNVBAGLBSA-N	304.737	1.824	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(Br)cc1OC	126856014	PUJNFDUATKLZRI-UHFFFAOYSA-N	316.155	1.422	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@@H]1CC=CCC1	186068885	RZHWXNVVPOAPLY-LLVKDONJSA-N	324.402	1.898	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(F)c(F)c2)o1	129683670	WHRKNRPYMXKRSX-UHFFFAOYSA-N	323.255	1.266	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1ccc2ccccc2n1	73117424	ZEBGZEIQLQWDKJ-UHFFFAOYSA-N	310.313	1.972	50	20	DDGD	
O=[N+]([O-])c1ccc(CCNS(=O)(=O)CBr)cc1	127354539	CQLUJBBVJBPCSV-UHFFFAOYSA-N	323.168	1.409	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)/C=C/c2cncc(F)c2)n1	183790058	QSPFHQWAQZQMCQ-OWOJBTEDSA-N	308.704	1.403	50	20	DDGD	
CC(C)(C)S(=O)(=O)CC(=O)NNc1nnc(C2CC2)s1	184529775	OTDFMUMCKJKWLE-UHFFFAOYSA-N	318.424	1.072	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)Nc2ccc(F)cc2)n1	185518991	LDRAANXPPPGGBS-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
C[C@H](CCC(=O)NNc1nccn(C)c1=O)c1ccccc1	124019090	GHOFQWXTDOHBPK-GFCCVEGCSA-N	300.362	1.807	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)COc1cc(C)ccc1C	124778918	DIBLHUABSLGLIT-ZDUSSCGKSA-N	310.419	1.971	50	20	DDGD	
Cc1cc(-c2ncccc2NC(=O)NNC(=O)CO)cs1	189191136	MCXCGADWZDNQSN-UHFFFAOYSA-N	306.347	1.264	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccncc2Cl)cc1	72700463	PMOKCGQIQPIBJG-UHFFFAOYSA-N	318.764	1.917	50	20	DDGD	
COc1cc(C#N)ccc1OCC(=O)NNc1ccnc(F)c1	182533433	NNSWQGNOAROUIO-UHFFFAOYSA-N	316.292	1.623	50	20	DDGD	
CCc1ncsc1C(=O)NNC(=O)Cc1ccccc1OC	137931865	VNGMPYGEDASGGG-UHFFFAOYSA-N	319.386	1.718	50	20	DDGD	
COc1cc(C(=O)NNc2cc(C)ncn2)cc([N+](=O)[O-])c1C	192335677	XWGDFKZOJWIGQV-UHFFFAOYSA-N	317.305	1.767	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)c2ccccc2O)c(F)c1	133391126	KDXPLRYNAKTWPU-UHFFFAOYSA-N	317.320	1.672	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2c(C)cccc2[N+](=O)[O-])o1	194818854	BHRALVOSAVTPGL-UHFFFAOYSA-N	303.274	1.879	50	20	DDGD	
C[C@@]1(NNC(=O)Nc2ccccc2Cl)CCS(=O)(=O)C1	48908798	BEVKQJBWAHQWSO-GFCCVEGCSA-N	317.798	1.543	50	20	DDGD	
CCOC(=O)NNC(=O)c1cnn(-c2ccc(Cl)cc2)c1	44852990	QECSYRSWCZGAED-UHFFFAOYSA-N	308.725	1.917	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)CC1CCCC1	195212726	LCGGCKWIXFZWGZ-MEDUHNTESA-N	318.373	1.943	50	20	DDGD	
C[C@@H](O)C[C@@H]1COCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	194866657	AZMDFTHZSGYQLP-WWPXCLHUSA-N	316.357	1.297	50	20	DDGD	
Cc1cc(Br)oc1C(=O)NNC(=O)c1ccc[nH]1	97405914	BGWDDTZEZWFUSU-UHFFFAOYSA-N	312.123	1.753	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCC1(N2CCSCC2)CCCC1	255073883	CRMHRCMBWDSIQB-OWBHPGMISA-N	323.462	1.908	50	20	DDGD	
O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1cccc([N+](=O)[O-])c1	252628629	SUPOWFAECZKOCS-UHFFFAOYSA-N	304.218	1.860	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(OC)cc1C(=O)NC	269445178	AMTALLMSCDRNOE-MDZDMXLPSA-N	303.318	1.437	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)CC(C)(C)C)cc1C	268970558	GHIMFVSVRWBFCM-UHFFFAOYSA-N	308.378	1.966	50	20	DDGD	
O=C(C[C@H]1CCCCO1)NNc1nc(-c2cccnc2)no1	268058071	UVTJZHXRJHBWIC-LLVKDONJSA-N	303.322	1.534	50	20	DDGD	
O=C(CC[C@H]1Cc2ccccc2NC1=O)NNC(=O)C1CCC1	264770347	OFHISHJCGYCBPU-ZDUSSCGKSA-N	315.373	1.525	50	20	DDGD	
C=CCN1CCC(NC(=O)NNC(=O)c2ccccc2F)CC1	264328463	CXMUDINGSSWPDG-UHFFFAOYSA-N	320.368	1.420	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)s1	268127036	OMPGGQJDRSNRJN-BXKDBHETSA-N	322.434	1.483	50	20	DDGD	
Cn1c(NNC(=O)C2SCCS2)nc2ccccc2c1=O	270472077	HINPDYYHUQXIJY-UHFFFAOYSA-N	322.415	1.183	50	20	DDGD	
COCCCC(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	278637007	YKKCAXVDYPCOHY-SNVBAGLBSA-N	314.769	1.681	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1	273191296	JBOMQIOESHZTJE-QWRGUYRKSA-N	306.366	1.473	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2cc(Cl)cc(Cl)c2)CC1	276899878	RZLIINWQZVGDST-UHFFFAOYSA-N	302.161	1.963	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)c1ccc(Cl)cc1O	279989243	GLSQHSNOERKJGU-CYBMUJFWSA-N	300.742	1.622	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@H](NC(=O)NNC(=O)c2ccccc2F)C1(C)C	271789536	GHMNCBCIUNTWJQ-TVYUQYBPSA-N	323.368	1.829	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H]1COCCN1CC1CCC1	276705782	JFFIYRZETUSNDK-AWEZNQCLSA-N	304.394	1.334	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNc1cc(Cl)nc(N)n1	273564597	CEEOFMDCIXLALA-UHFFFAOYSA-N	307.745	1.130	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@@H]1CC(=O)N(C2CCCC2)C1	376237387	SADOSJLQCWAULU-SNVBAGLBSA-N	306.341	1.455	50	20	DDGD	
CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NN	270206402	ICEVSANLQVBDMN-VIFPVBQESA-N	302.421	1.341	50	20	DDGD	
CC[C@H](C(=O)NNc1nccnc1C1CCC1)N1CCCC1=O	287341837	YVWCBZKXXCYGHB-GFCCVEGCSA-N	317.393	1.588	50	20	DDGD	
Cn1nnc2c1C[C@@H](C(=O)NNc1cccc(Cl)c1)CC2	289801110	NSVCCVFOLXAMIC-VIFPVBQESA-N	305.769	1.717	50	20	DDGD	
C[C@@H](C[S@@](C)=O)N(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	280074529	CBRVYXUCXAMGCY-ZREMKFBESA-N	306.387	1.525	50	20	DDGD	
CC(C)Nc1ccc(C(=O)NNC(=O)NCC(F)(F)F)cn1	281317336	SNCCUOOHBAENRL-UHFFFAOYSA-N	319.287	1.408	50	20	DDGD	
COc1cc(CC(=O)NNC(=O)CC(C)(C)C)cc(OC)c1O	280413750	HLUXAEZBLOFWRX-UHFFFAOYSA-N	324.377	1.536	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)N[C@H]1CCO[C@@H]1c1cccnc1	287795933	LKCSTHBMODTYFO-DZGCQCFKSA-N	320.393	1.678	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ccc(OC(F)F)nc1	283003403	GTEAVWBPPLXABB-UHFFFAOYSA-N	300.265	1.636	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)c1cccc(N(C)C)c1	282465037	HNIJVKVCFRJWTQ-WDMOLILDSA-N	305.378	1.327	50	20	DDGD	
CS(=O)(=O)[C@H]1CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1	282366298	GANMLGCXENDHEC-UNJUUPHPSA-N	322.361	1.378	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNC(=O)c1c[nH]c2ccccc12	298917192	AXTSRJCSPNVRGJ-LLVKDONJSA-N	319.361	1.371	50	20	DDGD	
Cc1ncc2n1CC[C@@H](C(=O)NNC(=O)c1ccc(C#N)cc1)C2	290280619	XCPKDHRTGDVDAF-CQSZACIVSA-N	323.356	1.087	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2nnn(C)c2C)cc1C	291242637	OTNCHFGUHPCWNX-UHFFFAOYSA-N	317.349	1.366	50	20	DDGD	
CC[S@](=O)CC(=O)NNc1ccc(Br)c(C)c1	295029238	IEKBAZANAOVYTD-KRWDZBQOSA-N	319.224	1.969	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H](O)C2CCCCC2)cc1	802055062	ZOOISKSESCXUCE-CQSZACIVSA-N	321.377	1.789	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC[C@@H](OC)C1CC1)c1ccccc1	296923971	OKMGILGLFJHIEL-HUUCEWRRSA-N	319.405	1.936	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1ccc2c(=O)[nH]ccc2c1)C(C)C	803432041	KECXGMZNWKUWOD-CQSZACIVSA-N	316.361	1.132	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)N2CCc3cc(F)ccc32)c1	802570113	KEOFGKMZTOKVDY-UHFFFAOYSA-N	314.320	1.562	50	20	DDGD	
COc1cc(CC(=O)NNC(=O)[C@H]2CCCCO2)ccc1C	295258008	AWYMRIPUPBTZQM-CYBMUJFWSA-N	306.362	1.263	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cn[nH]c2)cc1	298648293	IPZGYBUXPUSCGB-JTQLQIEISA-N	318.333	1.037	50	20	DDGD	
Cc1c(F)cccc1NC(=O)C(=O)NNc1cccc(F)n1	807391450	SITUWRFCNLJPCC-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
C=CC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	294256585	FZSZPTBZBXSSMQ-UHFFFAOYSA-N	303.362	1.602	50	20	DDGD	
C[S@](=O)Cc1ccc(CNC(=O)NNc2ncccn2)cc1	807559491	QNKBXCZQXKSBDG-QFIPXVFZSA-N	319.390	1.181	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)N=c1cc[nH]cc1)c1ccccc1	802033175	NKVGNEAZXIJBGA-AWEZNQCLSA-N	314.345	1.434	50	20	DDGD	
COCCOc1cncc(C(=O)NN=c2cc[nH]cc2Cl)c1	801193583	BHIBLZVLLZVMGL-UHFFFAOYSA-N	322.752	1.334	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)[C@]23CCC(=O)N2CCS3)c1	811972073	KHMNAXBWPQKLGS-OAHLLOKOSA-N	305.403	1.812	50	20	DDGD	
C[S@](=O)c1ccc(CC(=O)NNc2ncncc2F)cc1	817079792	ZUJKMLYQHXNIDB-NRFANRHFSA-N	308.338	1.039	50	20	DDGD	
Cn1cc(C(=O)NNc2ncncc2F)c2ccccc2c1=O	817077609	NGFKFZSCMYRGOW-UHFFFAOYSA-N	313.292	1.225	50	20	DDGD	
Cc1cc(NNC(=O)c2cncnc2-c2ccccc2)ncn1	810407524	IFEMLIQHRQPGQZ-UHFFFAOYSA-N	306.329	1.999	50	20	DDGD	
Cc1ccc(NC(=O)CSCC(=O)NN(C)C2CC2)cc1	819641414	WBDCSDAPEYGKBV-UHFFFAOYSA-N	307.419	1.792	50	20	DDGD	
COC[C@@H](NC(=O)NNc1ncncc1F)c1ccccc1	814316622	DVTZQDMWVBTRRE-GFCCVEGCSA-N	305.313	1.630	50	20	DDGD	
N#Cc1cccc(-c2cc(C(=O)NNc3ncncc3F)on2)c1	817070084	DXFBIRJMDYOELC-UHFFFAOYSA-N	324.275	1.899	50	20	DDGD	
O=C(NNc1ncncc1F)Nc1ccc(-n2ccnn2)cc1	814629227	KGMLOFVQEVKQRU-UHFFFAOYSA-N	314.284	1.345	50	20	DDGD	
COCCC(COC)=NNC(=O)c1cc([N+](=O)[O-])ccc1O	812226739	TUXPSWARAKHZCR-UHFFFAOYSA-N	311.294	1.069	50	20	DDGD	
CCOc1ccc(NNC(=O)c2n[nH]c(C)c2[N+](=O)[O-])cc1	817920963	DMOVMZGOXADVPG-UHFFFAOYSA-N	305.294	1.782	50	20	DDGD	
Cc1ccc(CN2C[C@H](C(=O)NN(C)C3CC3)CC2=O)cc1	819640618	BPQYDNDGDKNSJN-CQSZACIVSA-N	301.390	1.469	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)c1cc(Cn2cccn2)on1	815853079	URRJELFGJKAUQS-UHFFFAOYSA-N	319.271	1.955	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)Cc1ccc(Cl)cc1)C1CCC1	813367835	NGAPMQLVAZAYOD-OAHLLOKOSA-N	310.781	1.581	50	20	DDGD	
COCCN1[C@H]2CC[C@H]1CC(=NNC(=O)c1ccccc1O)C2	814695216	RWFGWOPEHOPMOV-KBPBESRZSA-N	317.389	1.751	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2cccc(C)n2)cn1	729692628	XNNQSPOXAXRZDI-UHFFFAOYSA-N	317.374	1.425	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C[C@@H]1CC[C@H]2C[C@H]12	822194843	WKUFPZODXFCCPT-AVGNSLFASA-N	318.373	1.658	50	20	DDGD	
O=C(NNC(=O)c1ccc(Br)cn1)c1ccccn1	727364196	JNELWOPLRXZOHN-UHFFFAOYSA-N	321.134	1.314	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@@H]1COc2ccccc2O1	727270216	GUFVEYPSEVTGMD-ZDUSSCGKSA-N	321.402	1.122	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1	828663371	FUZZAGMHDWFVDS-JTQLQIEISA-N	308.338	1.049	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)N[C@@H]2CO[C@@H](C)C2)c1	828420426	KYRRUCQTSIMFHH-STQMWFEESA-N	321.377	1.190	50	20	DDGD	
CN(CC(=O)NNc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C	493583322	UTKJQSLHLLYPQB-UHFFFAOYSA-N	324.337	1.905	50	20	DDGD	
Cc1c(C(=O)NN(C)[C@@H](C)CO)cnn1-c1ccc(Cl)cc1	823976945	LLZCQMIOIACBHW-JTQLQIEISA-N	322.796	1.792	50	20	DDGD	
CCO/C=C/C(=O)NNC(=O)c1ccc(CN(CC)CC)o1	493771248	MCGVEVSTSLPWKS-MDZDMXLPSA-N	309.366	1.433	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccc(C)n2)c(OC)c1	729950633	YPEMIBFRHOZTEY-UHFFFAOYSA-N	315.329	1.482	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NN=C1CCC[C@@H]2C[C@H]12	496793421	UCSIJNPEIDBZDR-MNOVXSKESA-N	310.398	1.986	50	20	DDGD	
COC1(C(=O)NNC(=S)NCCc2cccs2)CCC1	820171382	OOGFCWFJCHLOSF-UHFFFAOYSA-N	313.448	1.355	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1ccc2c(c1)CCO2	728597984	YKCNHIMOUNAUCT-UHFFFAOYSA-N	305.378	1.888	50	20	DDGD	
CO[C@H](C)CNC(=O)NNC(=O)c1cc(C)nc2ccccc12	821723410	XXGJYMZNRVKPPF-LLVKDONJSA-N	316.361	1.522	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCO[C@@](C)(c2ccccc2)C1	828046916	DBCKKSCHKGDLTG-QGZVFWFLSA-N	319.405	1.037	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)Cc1cccc(Br)c1	823965640	QZXIMAZPHSBSRH-SECBINFHSA-N	301.184	1.335	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCCN2C2CC2)cn1	491136395	VLVWKWIUIUAHDG-FCONWMNKSA-N	313.405	1.460	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(F)ccc1N1CCOCC1	495563710	HRMUABNTFBEDND-UHFFFAOYSA-N	311.313	1.053	50	20	DDGD	
OB(O)c1ccc(CN[C@H](Cc2ccccc2)C(F)(F)F)o1	585028185	GCOHAIKBMQZOEK-GFCCVEGCSA-N	313.084	1.223	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NN(C)[C@H](C)CO)cc1OC	823934538	HIWSSGQYDVLJNF-VXGBXAGGSA-N	310.394	1.226	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O	822252680	NRZFKYQGGHJFKC-NEPJUHHUSA-N	309.410	1.361	50	20	DDGD	
CC(C)CCO[C@H]1CC[C@H](NCc2ccc(B(O)O)o2)CC1	585049230	LXUINUITCFUBLM-HDJSIYSDSA-N	309.215	1.423	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)Cc1ccc(F)cc1Br	823935410	RKYMDYSLPZNPQD-QMMMGPOBSA-N	319.174	1.475	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1	823809716	AWMUJJWFUSYRTG-UONOGXRCSA-N	321.377	1.166	50	20	DDGD	
CCO[C@@H]1COC[C@H]1NC(=O)/C(C#N)=C/c1ccc(O)cc1	491163818	YIJRPBXSFGOUSV-UZKRYLTISA-N	302.330	1.219	50	20	DDGD	
N#CCSCC(=O)NNC(=O)c1cccc2ncccc12	730225704	PYXQMYDEQPKZRF-UHFFFAOYSA-N	300.343	1.253	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@]2(O)CCc3ccccc32)cn1	491084826	PGPZLLQNHNANQD-PSSQXEACSA-N	322.368	1.277	50	20	DDGD	
COc1cc(C(=O)NNC(=O)NCC2CC2)c2ccccc2n1	823804547	PWQWFVYAHVTKQY-UHFFFAOYSA-N	314.345	1.597	50	20	DDGD	
OB(O)c1cccc(CN[C@H]2CCc3sc(Cl)cc32)c1	585040831	KJGKMTCXILJIRJ-LBPRGKRZSA-N	307.611	1.858	50	20	DDGD	
C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NN(C)C2CC2)cc1	824302645	FELANIYDPXWVLS-JTQLQIEISA-N	322.390	1.503	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)C3CCC4(CC3)CC4)nc21	827657741	PWQKTDDUAOHODT-UHFFFAOYSA-N	316.365	1.482	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCCCCC2)C1	584955944	SBUVSQJIIXUARF-UHFFFAOYSA-N	315.222	1.943	50	20	DDGD	
COC(=O)N(C)CCNC(=O)NNc1c(C)cccc1Cl	822772325	LTYJCFDFBSEROZ-UHFFFAOYSA-N	314.773	1.973	50	20	DDGD	
O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)N1CC[C@H](B(O)O)C1	585070349	ZBTNGBRFOSHCTK-YOLVWIGZSA-N	323.541	1.157	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNC(=O)COCc1ccccc1	491742632	QONSGWZJAQUIRJ-AWEZNQCLSA-N	303.362	1.336	50	20	DDGD	
COc1ccc2nc(NNC(=O)[C@@H]3CCNC3=O)c(C)cc2c1	831807932	ZFGGRNYHPNCGCM-GFCCVEGCSA-N	314.345	1.131	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc(F)c(C#N)c1	831427553	UBZIKRPDTCEHFA-KCJUWKMLSA-N	306.297	1.275	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)COCC1CCCC1	836710762	ZVOUIICXFHQLTE-UHFFFAOYSA-N	320.389	1.557	50	20	DDGD	
CC(F)(F)CCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	736095593	HFJJDWMQAOQJDA-UHFFFAOYSA-N	324.291	1.063	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H](C)[C@H](OC)C1CC1	836291840	JWPVUOBZHUMYPG-HZMBPMFUSA-N	321.377	1.453	50	20	DDGD	
C[C@H](CBr)CN1CCC[C@@]2(CCS(=O)(=O)C2)C1	831915093	DHGJGRKQSXQDPW-VXGBXAGGSA-N	324.284	1.918	50	20	DDGD	
CC[C@H]1C[C@@H](Cc2nc(-c3cccc(B(O)O)c3)no2)CCO1	585053205	IGGRSGQTPOPHGD-FZMZJTMJSA-N	316.166	1.164	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@]1(Cl)C[C@H]2CC[C@H]1O2	906417194	KLVMTYVJVMVVCU-JQEORGNBSA-N	313.741	1.039	50	20	DDGD	
CN(CCNC(=O)NNC(=O)C1CCCC1)CC(F)(F)F	732704517	XISIBPQZJAGAEW-UHFFFAOYSA-N	310.320	1.001	50	20	DDGD	
Cc1nc(-c2cnn(C)c2)sc1C(=O)NNC(=O)C(C)C	734419811	XYAJYJDGKADYIU-UHFFFAOYSA-N	307.379	1.269	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)CCc1ccccc1)c1cnn(C)c1	839618414	JBFKIJCHMRGCQV-CYBMUJFWSA-N	314.389	1.694	50	20	DDGD	
CC(C)(C)CCC1(O)CC(C(=O)Nc2cccc(B(O)O)c2)C1	584911019	FLYTZEMOOAQXPH-UHFFFAOYSA-N	319.210	1.272	50	20	DDGD	
CCC[C@H](NCc1cccc(B(O)O)c1)c1nnc2ccccn12	585033075	WXHLSPFFXYXTAL-HNNXBMFYSA-N	324.193	1.040	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc2ccccc2o1	730576789	WGCVTYGLOBHGJO-LBPRGKRZSA-N	320.370	1.708	50	20	DDGD	
CCCNC(=O)NNC(=O)C1(c2ccc(C)cc2)CCOCC1	732061758	ALLXRRUMNNRKFC-UHFFFAOYSA-N	319.405	1.784	50	20	DDGD	
O=C(Cc1ccsc1)NN=Cc1ccc(-c2nn[nH]n2)cc1	737974753	ICMVEESOOZHRLO-UHFFFAOYSA-N	312.358	1.621	50	20	DDGD	
COC[C@@H](C)CNC(=O)NNC(=O)COc1ccc(C)c(C)c1	737064611	IVNJWJGFJXWBOP-NSHDSACASA-N	323.393	1.295	50	20	DDGD	
O=C(COc1ccc(Br)cc1)NN=C1CCOC1	731924325	DUNUOVSLBHMDDE-UHFFFAOYSA-N	313.151	1.720	50	20	DDGD	
CCN(CC)c1ccc(C=NNC(=O)C(=O)NC2CC2)cc1F	739414330	XMADKSAITBUXLH-UHFFFAOYSA-N	320.368	1.401	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1cncnc1C1CC1	836663181	ZYEYMGQSAQICHI-UHFFFAOYSA-N	314.320	1.497	50	20	DDGD	
CC(Cc1cnccn1)=NNC(=O)CCN1CCCCCC1	834931509	JSKGUWRRIDRLGH-UHFFFAOYSA-N	303.410	1.777	50	20	DDGD	
Cc1ccccc1OCCCNC(=O)NNC(=O)C1CCC1	732246701	XMAXQTSDHHGDPP-UHFFFAOYSA-N	305.378	1.894	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1cc[n+]([O-])cc1	917213386	HXIREPOFDWLFIE-UHFFFAOYSA-N	308.681	1.639	50	20	DDGD	
COc1ccc(F)cc1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	831599952	WNMOBEFHLNAWCI-PSASIEDQSA-N	311.313	1.412	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCC(C)(C)C(=O)O)cc(C#N)n1C	832853830	VUZGVNCSXUZYNO-XGICHPGQSA-N	314.345	1.339	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@]2(C)C[C@H]2Br)c1	912978889	XIGBFIVJNAJERZ-LDYMZIIASA-N	317.208	1.991	50	20	DDGD	
O=C(NNc1ncccc1F)C1(n2cnnn2)CCCCC1	846125507	PLTTYBAVOBSGSX-UHFFFAOYSA-N	305.317	1.010	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc2c(c1)nc(O)n2C1CC1	910140275	YYPPGLBYPUEFJX-SECBINFHSA-N	304.350	1.034	50	20	DDGD	
O=C(NNC(=O)c1cc(Oc2ccccc2)ccn1)NC1CC1	744477019	BVEPNFXXSHLSDW-UHFFFAOYSA-N	312.329	1.980	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@H]1CCCCN1Cc1ccccc1	910164205	VVLFQHXBOGOEEO-GDBMZVCRSA-N	305.422	1.385	50	20	DDGD	
CO[C@H]1c2ccccc2C[C@H]1NC(=O)NNC(=O)C(C)(C)C	840406596	PSXBNANCCQBLOI-OLZOCXBDSA-N	305.378	1.675	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cc(-c2ccccn2)no1	746218115	CJAXDPBTTVFBLQ-UHFFFAOYSA-N	323.312	1.135	50	20	DDGD	
O=C(CCN1CCOCC1)NNc1cc(F)c(F)c(F)c1	746701859	NOYLQSREWIPDRW-UHFFFAOYSA-N	303.284	1.269	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@@H]1CCC(=O)C1	843869325	OAPDKJWTNFKANO-NXEZZACHSA-N	324.764	1.624	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cc1cn2ccccc2n1)C1CC1	747663415	OZVGKXKIPLYPEV-JTQLQIEISA-N	317.418	1.171	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)[C@@H]1c1ccccc1	748822293	AQTXEKQBXMXQGL-DOMZBBRYSA-N	303.406	1.873	50	20	DDGD	
CC1CCN(C(=O)C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)CC1	842248798	JFVYGQQIDOSNBZ-UHFFFAOYSA-N	324.312	1.436	50	20	DDGD	
O=C(NNc1ncccn1)c1cn(-c2ccc(Cl)cc2)nn1	914756464	CXQQXKKSYKJCEG-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(Cl)ccc1OCCOC	748704391	YCCLCDZBLYGJKR-UHFFFAOYSA-N	315.757	1.329	50	20	DDGD	
CC(F)(F)c1ccccc1NC(=O)NNC(=O)CCCN	841257603	PSYLKCXHLWBVCH-UHFFFAOYSA-N	300.309	1.690	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)c(C)[nH]1	914749323	NQMQOFOWZQWPEV-LLVKDONJSA-N	319.336	1.999	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccc(C)cc2Cl)nn1	841439082	KNEHPWJBCMAEGA-UHFFFAOYSA-N	309.757	1.643	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(C2CC2)n1	843661053	NEHSSTBQKMIIQE-CMPLNLGQSA-N	303.362	1.453	50	20	DDGD	
CCOCCC1(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CCCC1	843654331	QXYZMZCNKGPJJL-QWHCGFSZSA-N	312.410	1.546	50	20	DDGD	
CCCC(C)(C)C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1	846627807	BFEDNWBAZBINQZ-CHWSQXEVSA-N	313.442	1.459	50	20	DDGD	
CNC(=O)NNC(=O)c1cc2c(C(F)(F)F)cc(O)nc2o1	919879150	IGNPOTJKYGNBJQ-UHFFFAOYSA-N	318.211	1.126	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H](C[C@@H]1CCCO1)C(F)(F)F	846228617	PABYDSYLNAVTII-VHSXEESVSA-N	308.300	1.682	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCC(=O)[C@@H](C)C1(C)C	843972640	VMRHPZZVMMOUDX-NOOOWODRSA-N	310.394	1.200	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccc(Cl)nc1)Cn1cccn1	745728209	YYYSRNIXRGXGNP-JTQLQIEISA-N	308.773	1.894	50	20	DDGD	
COc1ccc(C2(C(=O)NN(C)C[C@H](C)O)CCCC2)cc1	910167210	DWIZEXFLUAIRBN-ZDUSSCGKSA-N	306.406	1.851	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(-c2ccccc2)no1	843648176	WGQQZTMBLNNHFQ-JQWIXIFHSA-N	315.329	1.528	50	20	DDGD	
CC1(C)Cc2cccc(C(=O)NNc3ncnc4[nH]cnc34)c2O1	848371978	YZJJRJVUSMVFAE-UHFFFAOYSA-N	324.344	1.823	50	20	DDGD	
C#CCCCNC(=O)NNC(=O)COc1ccc(C)c(C)c1	745902005	WQWBSZKRZUNMAK-UHFFFAOYSA-N	303.362	1.426	50	20	DDGD	
O=C(NCC[C@H]1C[C@H]2CC[C@H]1O2)NNc1ncncc1Cl	841589495	HXOZBVNWUFMKKL-IQJOONFLSA-N	311.773	1.714	50	20	DDGD	
CC1=C(C(=O)N(C)CC(Cl)Cl)[C@H](C)n2ncnc2N1C	848084330	LOSVUKCXHBPMSP-QMMMGPOBSA-N	318.208	1.825	50	20	DDGD	
CC[C@H](C)c1nc(C)c(CC(=O)NNC(=O)NC(C)C)c(C)n1	847402192	ZOFGAJWVMDSONK-JTQLQIEISA-N	321.425	1.888	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(-n2ccnc2O)cc1	845295423	BYPPTHFXHSOJSI-UHFFFAOYSA-N	317.349	1.322	50	20	DDGD	
C[C@H](CN)CNC(=O)NNc1cccc(Br)n1	841963979	YTDWSXPONBPMBQ-SSDOTTSWSA-N	302.176	1.065	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2ccnc(F)c2)cc1	748835636	YGEMEWCNVZDHMR-UHFFFAOYSA-N	318.308	1.102	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@H]1C[C@]12CCCNC2	848399472	QAUUUEPCBWNGKA-WBMJQRKESA-N	313.361	1.569	50	20	DDGD	
COc1ccc2c(c1)CN(C(=O)NNC(=O)[C@H]1CCO[C@H]1C)C2	848664068	WEWKMCWHQYMQLE-HZMBPMFUSA-N	319.361	1.177	50	20	DDGD	
CN1CCC2(CC1)CC(=NNC(=O)N(C)C)c1ccccc1O2	755671897	HRAYDFGMOFBIQA-UHFFFAOYSA-N	316.405	1.909	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1ccccc1OC(F)F	751272364	PWUQIMFPGAWZCZ-UHFFFAOYSA-N	323.321	1.191	50	20	DDGD	
Cc1cccc(NCCNC(=O)NN=c2cc[nH]c(C)c2)n1	927493733	LOHANINMJMZLRN-UHFFFAOYSA-N	300.366	1.254	50	20	DDGD	
COC(=O)N(C)CCNC(=O)/C(C#N)=C/c1ccc(F)cc1	855937914	CGWZSHZCIWKQBU-FMIVXFBMSA-N	305.309	1.547	50	20	DDGD	
Cc1c(NNC(=O)NCC2(N)CCCC2)cccc1[N+](=O)[O-]	851671821	UXSHWIVYZVBJPM-UHFFFAOYSA-N	307.354	1.801	50	20	DDGD	
CCCNC(=O)NNC(=O)CCc1cc(OC)cc(OC)c1	921042238	IGAGKBVHGVNGIS-UHFFFAOYSA-N	309.366	1.377	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)C(C)(C)C)c1nccs1	853409174	NHIFFYKAZMQOKK-UHFFFAOYSA-N	310.423	1.926	50	20	DDGD	
C[C@]1(O)CCCN(C(=O)NC[C@]2(C)C[C@@H]2Br)C1	856955449	XCGDIEXMWMNWOF-DLOVCJGASA-N	305.216	1.716	50	20	DDGD	
CC(C)CN1C[C@@H](C(=O)NNc2cccnc2Cl)CC1=O	754485805	ZQRMZDFIIBJOBZ-JTQLQIEISA-N	310.785	1.683	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(F)n2)C12CCC2	852710051	IJICXHPNDGZAJV-QWRGUYRKSA-N	322.340	1.122	50	20	DDGD	
C[C@H](NC(=O)NNc1cccnn1)c1ccc([S@@](C)=O)cc1	756722204	IDXLPGKLFMHICV-MLMJSJRWSA-N	319.390	1.601	50	20	DDGD	
O=C(NNC(=O)c1ccccc1OCC1CC1)c1ccccn1	751282797	QVYXFFFSDMGGFA-UHFFFAOYSA-N	311.341	1.945	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(OCC(F)(F)F)nc1	755865474	BOVHWTZQVGCDJT-UHFFFAOYSA-N	306.244	1.585	50	20	DDGD	
CC[C@](C)(O)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	929340872	HJHIZCLRWMXVKT-PSLIRLAXSA-N	310.419	1.795	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=CC1CCSCC1	853329146	YQMBKVCYMDGLPD-UHFFFAOYSA-N	301.412	1.756	50	20	DDGD	
CO[C@@H](C1CC1)[C@H](C)NC(=O)NNC(=O)c1cc(C)cs1	858519940	BQOFSOZPKCJMAM-JOYOIKCWSA-N	311.407	1.814	50	20	DDGD	
COc1ccc([C@H](C)CC(=O)NNC(=O)c2cc[nH]n2)cc1	855357417	IVQAXYUJDALJDQ-SNVBAGLBSA-N	302.334	1.373	50	20	DDGD	
COC(=O)[C@@H](C)Oc1ccc(C=NNC(=O)NCC2CC2)cc1	758374229	DJUYTWNGQATGEU-LLVKDONJSA-N	319.361	1.670	50	20	DDGD	
CO[C@@H](C=NNC(=O)CCCNC(=O)OC(C)(C)C)C1CC1	853325343	HFMSWGYJZQVHIG-LBPRGKRZSA-N	313.398	1.818	50	20	DDGD	
COCc1cc(C(=O)NC[C@]2(C)C[C@H]2Br)no1	857397770	MIYFMBQRYINDNE-KOLCDFICSA-N	303.156	1.724	50	20	DDGD	
COC(=O)[C@H]1COCCN1C[C@@H](CBr)C1CC1	859197549	JRKHSUZWZBBATR-GHMZBOCLSA-N	306.200	1.281	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@@H](C)N1CCCCCC1)C1CC1	855101108	PQSLNAWYYQHGCU-VXGBXAGGSA-N	312.483	1.545	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@@](F)(C#N)C2)C[C@@H]1Br	856903405	PIQPOALGFOHTGI-JMJZKYOTSA-N	304.163	1.807	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNC(=O)C(C)(C)c1ccccc1	932373129	PXJVHYREVGQQGJ-CHWSQXEVSA-N	318.373	1.311	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc(Cl)nn2)c(C(F)F)n1	755276494	IGMFUUWGOYZRDH-UHFFFAOYSA-N	302.672	1.558	50	20	DDGD	
CCCN(CC(=O)NNC(=O)c1cccc(C#N)c1)C1CC1	756507406	ASQBNDHIIBXGGH-UHFFFAOYSA-N	300.362	1.194	50	20	DDGD	
Cc1cccnc1NNC(=O)Cc1cc(=O)n(CC(C)C)[nH]1	935620352	HHDHISZQDSLTNU-UHFFFAOYSA-N	303.366	1.222	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc(OCC(F)(F)F)cn1	764938251	HEPOIMGDGBJZFK-UHFFFAOYSA-N	305.256	1.440	50	20	DDGD	
CC1CCN(C[C@@H](C)C(=O)NN=C2CCN3CCC[C@H]23)CC1	765570724	VUYXEGBXLBMRJT-GDBMZVCRSA-N	306.454	1.695	50	20	DDGD	
Cc1nnc(NNC(=O)c2cc(F)c(Cl)cc2F)nc1O	763526902	XCXGVJDXILQYKE-UHFFFAOYSA-N	315.667	1.574	50	20	DDGD	
C[C@@H](CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)c1ccco1	861767978	ZQJPHQRJKXQLSD-RYUDHWBXSA-N	314.407	1.266	50	20	DDGD	
CCOC(=O)CCSCC(=O)NNC(=O)c1ccc(C)cc1	865378669	WUJZAAIEWVECKV-UHFFFAOYSA-N	324.402	1.442	50	20	DDGD	
CCN1C[C@H](C(=O)N(C)NC(=O)OCc2ccccc2)CC1=O	862286976	LKUPOYGKIUTLNI-CYBMUJFWSA-N	319.361	1.155	50	20	DDGD	
O=C(NNc1ccncn1)[C@@H]1CCN(C(=O)c2ccccc2)C1	861873015	BCXVWIJSUVKNRX-CYBMUJFWSA-N	311.345	1.082	50	20	DDGD	
CC(C)Cn1[nH]c(CC(=O)NNc2cccc(F)c2)cc1=O	935020741	IPNHPSBYVGATLB-UHFFFAOYSA-N	306.341	1.657	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=CCCc2c(F)cccc2Cl)N1	863147961	PRTGFUPDMDNXBX-GFCCVEGCSA-N	311.744	1.792	50	20	DDGD	
COC1(C=NNC(=O)c2c(C)nc3ccccn23)CCOCC1	761748667	NFKNSBVIEVMBGD-UHFFFAOYSA-N	316.361	1.554	50	20	DDGD	
COCCCn1cc(C(=O)NNc2nc3ccccc3[nH]2)cn1	863901690	DQLGSVISIVTRME-UHFFFAOYSA-N	314.349	1.553	50	20	DDGD	
C[C@H](CN1CCCCCC1)C(=O)NN=C1CCN2CCC[C@@H]12	765568769	GGISOPWWJHKXJI-ZBFHGGJFSA-N	306.454	1.839	50	20	DDGD	
CC(=O)N1CCN(S(=O)(=O)CC(C)(C)CCl)C(C)(C)C1	867057784	BLGWQAFAJJTMDH-UHFFFAOYSA-N	324.874	1.524	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H]2CCCCN2C)n1	762902324	OMFPKGYEWNIJRG-LBPRGKRZSA-N	306.414	1.250	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1csc(C(C)C)n1	768767205	HHINCEXSSNDQGY-UHFFFAOYSA-N	308.407	1.729	50	20	DDGD	
C[C@@H](OCc1ccncc1)C(=O)NN(C)C(=O)OC(C)(C)C	868857558	TZFKIHPWZLCGMO-LLVKDONJSA-N	309.366	1.885	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CC(F)(F)F)c1cccc([N+](=O)[O-])c1	762841868	ATMVMYYOTFERPB-ZETCQYMHSA-N	319.239	1.798	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCOC(C)(C)[C@H]2C)cc1	763626709	FEYXICRPBFORMS-CYBMUJFWSA-N	319.405	1.255	50	20	DDGD	
O=C(NCc1ccco1)NN=C1CCCc2nc(O)ccc21	764678786	NVWRNKHOFPABBY-UHFFFAOYSA-N	300.318	1.920	50	20	DDGD	
C[C@H]1C[C@H](C(=O)O)CCC1=NNC(=O)c1n[nH]c2c1CCCC2	1117704586	YEBHNEBDZOITPG-VHSXEESVSA-N	318.377	1.895	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1F)[C@@H]1CN2CCCN1CC2	871270938	ATQYBMMGIMBRHW-ZDUSSCGKSA-N	312.776	1.312	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)CO)cc1CN1CCCC1	776783065	MQPBTJNQCXLVNX-UHFFFAOYSA-N	305.378	1.124	50	20	DDGD	
COc1cc(C=NNC(=O)Cc2cc(C)[nH]n2)ccc1[N+](=O)[O-]	770596147	KXLYQOLGRDRMNJ-UHFFFAOYSA-N	317.305	1.328	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1c(C)ccc2cccnc12	777917346	MVPLMJFZIZAZSH-JTQLQIEISA-N	321.402	1.899	50	20	DDGD	
CC(C)(CO)CCCNC(=O)NNc1nncc(N)c1Cl	1116299846	CQGYBLVVGSGGOE-UHFFFAOYSA-N	316.793	1.137	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)Cn2cnc3ccccc32)c(C)c1	779868359	YWHXVNMCLTZCAX-UHFFFAOYSA-N	323.356	1.509	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)c1ccc(Cl)cc1O	878341411	YIUZQCSJEZJDEX-UHFFFAOYSA-N	300.742	1.622	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1nc2c(s1)C[C@H](C)CC2	1116718913	OKQWOCJUUXLTEU-MRVPVSSYSA-N	311.411	1.966	50	20	DDGD	
Cc1cc(=NNC(=O)NCCCN(C)CC(F)(F)F)cc[nH]1	875098546	ZPEHKQWVXZAFGN-UHFFFAOYSA-N	319.331	1.322	50	20	DDGD	
Cn1c(C=NNC(=O)CO)nc2cc(C(F)(F)F)ccc21	776780434	HTALJIIRFKTRSF-UHFFFAOYSA-N	300.240	1.035	50	20	DDGD	
CC#CCCNC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	776205694	NBZHNXYWDVSCPB-NSHDSACASA-N	307.325	1.337	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C(C)c1cnn(C)c1C	778539103	VCLMQYKCYVXCQY-UHFFFAOYSA-N	315.377	1.689	50	20	DDGD	
O=C(CCO)NN=Cc1cnc(CCc2ccccc2)s1	1117830580	FXGXJEPIQNMQEI-UHFFFAOYSA-N	303.387	1.761	50	20	DDGD	
COCC1(CNC(=O)NNc2cccc(C)n2)CCOCC1	875613134	YCPDTTDZDKFJQX-UHFFFAOYSA-N	308.382	1.459	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CC2OCCCO2)c1	873756148	BIGZHDCXESBZCP-UHFFFAOYSA-N	323.418	1.774	50	20	DDGD	
CO[C@@H](C(=O)NNc1cccc(S(C)(=O)=O)c1)C(C)C	771449323	ZAPZDWSOTBSVIZ-GFCCVEGCSA-N	300.380	1.204	50	20	DDGD	
CC(C)CCN(CCC#N)CC(=O)NNC(=O)c1cccs1	777594592	IMHJCOZHUUNRCU-UHFFFAOYSA-N	322.434	1.771	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccnn2CCC(C)C)n[nH]1	779470723	HEHHKYPMFGIXQE-UHFFFAOYSA-N	319.369	1.427	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CN(CC)c1ccccc1	772113915	IUEFHEANBZRXLN-GFCCVEGCSA-N	321.377	1.002	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)C(=O)Nc1cnn(C(C)C)c1	770821978	OGKXIJUHHIDMBA-UHFFFAOYSA-N	319.340	1.993	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1c(Cl)cncc1Cl	887149127	KKDCAGVOYNNXAS-UHFFFAOYSA-N	300.145	1.953	50	20	DDGD	
COC(=O)c1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C)c2)on1	781448259	OVSIRLKSWNZSTN-UHFFFAOYSA-N	306.230	1.897	50	20	DDGD	
CN(C)CC(=O)NN=C1CC(C)(C)c2ccc([N+](=O)[O-])cc21	788427909	SYVQXJJFUKCYNX-UHFFFAOYSA-N	304.350	1.658	50	20	DDGD	
COc1cc(C)ccc1C(=O)NNC(=O)c1ccc(C#N)cc1	780516988	HKYXHZYKHFWTDP-UHFFFAOYSA-N	309.325	1.950	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCCO2)c1coc(C)n1	788976239	XBVLUXKTHNDIRL-UHFFFAOYSA-N	301.302	1.908	50	20	DDGD	
COc1ccc(CCNC(=O)/C(C#N)=C\c2ncnn2C)cc1	899345979	ZFWCZBPTCYLIER-LCYFTJDESA-N	311.345	1.090	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)CCn1cc([N+](=O)[O-])cn1	788189992	WHHCPKZCJKXIEN-UHFFFAOYSA-N	323.284	1.472	50	20	DDGD	
Cc1ncoc1C(=O)NNc1nnc(-c2ccccn2)s1	788562420	HIHAFDLLNGDVDE-UHFFFAOYSA-N	302.319	1.653	50	20	DDGD	
Cn1cc(-c2ccc(F)c(C(=O)NNc3cccnn3)c2)cn1	782853161	HDMCXXSZKHSQOG-UHFFFAOYSA-N	312.308	1.773	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H](C)c2ncn(C)n2)cccc1[N+](=O)[O-]	780703364	JIAFPKFSRFYUGO-VIFPVBQESA-N	319.325	1.419	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)c1ccc(F)cc1	788232470	SIXZKMYWNJLNGJ-UHFFFAOYSA-N	309.322	1.230	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)/C(F)=C(\C)C1CC1	899992316	AVGKSATVELHGDK-LUAWRHEFSA-N	303.403	1.514	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=S)NC(C)(C)C)c(C)nc1C	899995946	KHSXPYSNURRJHH-UHFFFAOYSA-N	322.434	1.808	50	20	DDGD	
O=[N+]([O-])c1cc(F)cc(OS(=O)(=O)CBr)c1	782474247	NJXHXFOFJVQVJS-UHFFFAOYSA-N	314.088	1.795	50	20	DDGD	
O=C(NNC(=O)c1cc2nccnc2cc1F)c1ccccn1	792003836	ANKJFXGPLBYKDT-UHFFFAOYSA-N	311.276	1.239	50	20	DDGD	
CSSCCNC(=O)NCC1(N2CCOCC2)CC1	790847160	LQNKZIGHZSKVDL-UHFFFAOYSA-N	305.469	1.162	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@H](C)C(=O)NNc1ccc(C#N)cn1	899662154	OADLPRZQRWEXMZ-JTQLQIEISA-N	312.377	1.626	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C[C@@H]1CCCOC1	792798966	UUWXGMCZKXZMSZ-LBPRGKRZSA-N	322.361	1.038	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H](O)c1cccc(C(F)(F)F)c1	795255983	JMBNSZJMZTWRON-SNVBAGLBSA-N	318.295	1.932	50	20	DDGD	
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1cc(C)n(C)n1	799882061	BJXFCVIOGOKLSJ-UHFFFAOYSA-N	317.305	1.496	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Cc1ccc2n[nH]cc2c1	793476498	URVAJWAFCIULFE-UHFFFAOYSA-N	324.340	1.575	50	20	DDGD	
Cc1ccc(F)c(OCC(=O)NNC(=O)c2cccc(C)n2)c1	794084276	QKANWYYIWNXJNT-UHFFFAOYSA-N	317.320	1.678	50	20	DDGD	
COCc1cc(C=NNC(=O)[C@@H](C)CN2CCC(C)CC2)no1	794880151	PYWZRCGXTVMXAH-ZDUSSCGKSA-N	322.409	1.639	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1cnn2ncccc12	791148113	PIOFRYMHHAMCLA-UHFFFAOYSA-N	316.252	1.534	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCc1cnc2ccccc2c1	791474387	DCTRPWDIMDAURU-UHFFFAOYSA-N	322.368	1.967	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ncccc1Br	793219709	MRTQMZBLZLVRQT-UHFFFAOYSA-N	301.144	1.198	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)NCc1ccco1)c1cccnc1	797841498	MZJJKLKNEOYOJI-CQSZACIVSA-N	316.361	1.945	50	20	DDGD	
Cc1cccnc1NNC(=O)CN1C(=O)CCc2ccccc21	791220164	BXBQEAYFNIOLTL-UHFFFAOYSA-N	310.357	1.813	50	20	DDGD	
CC(C)=CCCNC(=O)NNC(=O)c1c(C)nc2ccccn12	790521742	PZAHNJOIIXPICZ-UHFFFAOYSA-N	315.377	1.943	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)N[C@H]1C=CCCC1	1319083154	LZQLUVLYTJCHPL-FZMZJTMJSA-N	317.345	1.266	50	20	DDGD	
C[C@H]1Oc2c(ccc(Cl)c2Cl)C1=NNC(=O)CCO	1318931960	ULLQEWQPUFWLSV-ZCFIWIBFSA-N	303.145	1.977	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCc2cccc(F)n2)cc1	1319387040	NZJGKTQSWSIQIG-UHFFFAOYSA-N	318.308	1.374	50	20	DDGD	
O=C(CCO)NN=C1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-]	1319554945	ADLRZOWWLUUJRH-LLVKDONJSA-N	305.334	1.792	50	20	DDGD	
Cc1c(C(=O)NNC(=S)NC(C)C)cnn1-c1ccncc1	1319773880	SDGYUPKWLNGSDB-UHFFFAOYSA-N	318.406	1.093	50	20	DDGD	
CC(=O)N1Cc2ccc(NC(=O)NNC(=O)C3CC3)cc2C1	1320251685	PORNKZMLGKCBHB-UHFFFAOYSA-N	302.334	1.111	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1cn[nH]c1)c1ccc(OC)cc1	1329192360	GFISYRKESJWNLR-ZDUSSCGKSA-N	317.349	1.514	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)c1cncn1-c1ccccc1	1335395500	PAZUWLNLKDEMFZ-GFCCVEGCSA-N	316.361	1.448	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2C[C@H]2c2ccco2)cc1	1345066724	MDEAMVLCJZRDHG-CHWSQXEVSA-N	315.329	1.788	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CCc1nccn1C	1349402972	FHKBKVQCZRALTF-UHFFFAOYSA-N	302.334	1.283	50	20	DDGD	
O=C(Cc1c[nH]c2cnccc12)NNc1nc2ccccn2n1	1343960539	BNUGGBYQTVWIEX-UHFFFAOYSA-N	307.317	1.291	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc(OCC(F)F)ccn1	1341911073	WJMPFUAUZSTTRO-UHFFFAOYSA-N	318.349	1.243	50	20	DDGD	
C[C@@H]1CN(c2nnnn2C[C@]2(C)C[C@@H]2Br)CCO1	1262471711	TWINUYZVSZLNBF-YWVKMMECSA-N	316.203	1.072	50	20	DDGD	
N#Cc1ccc(OC2CN(S(=O)(=O)CCCCl)C2)cc1	1353011875	YKGVXABYAKYCOZ-UHFFFAOYSA-N	314.794	1.580	50	20	DDGD	
CC(C)[C@@H]1CCN1C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1351190948	JQKOZQYKCZEKTR-KWBADKCTSA-N	317.227	1.533	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NN[C@@H](C(=O)O)c1ccsc1	1601360395	GDOXKCWLZNUNJM-CYBMUJFWSA-N	308.334	1.876	50	20	DDGD	
N#Cc1ccc(Br)c(NNC(=O)[C@H]2C[C@H]2C(=O)O)c1	1601092694	JRCIQBOTUXNHAI-JGVFFNPUSA-N	324.134	1.485	50	20	DDGD	
COc1ccc(NNC(=O)C2(C(=O)O)C(C)(C)C2(C)C)nc1	1604821084	JMUINFSEWQNBFK-UHFFFAOYSA-N	307.350	1.670	50	20	DDGD	
C=C[C@](C)(CC)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	1609051953	CRHCUFZKIIYBFR-OAHLLOKOSA-N	314.349	1.230	50	20	DDGD	
N#CCC1(CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1	1606346605	UJMGYTLVLQXGQU-UHFFFAOYSA-N	312.337	1.187	50	20	DDGD	
Cn1cc([C@@H]2C[C@H]2C(=O)NNc2ccc(C(=O)O)c(F)c2)cn1	1600970060	YWHPPRXLWDICKD-NWDGAFQWSA-N	318.308	1.504	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2C[C@H]2c2cncn2C)cccc1C(=O)O	1600056195	XPPLPHQJKZCEGC-VXGBXAGGSA-N	314.345	1.674	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NN=Cc2ccc(OCC(=O)O)cc2)O1	1607463126	DXHFPTOMFQBHEQ-GWCFXTLKSA-N	306.318	1.168	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)C1(C(=O)O)C(C)(C)C1(C)C	1605351090	NCHPNLAOOWLSMU-UHFFFAOYSA-N	318.373	1.893	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(F)c(C(=O)O)c1)[C@H]1CCCNC1	1604290209	DPMFKCKFVVLARN-UWVGGRQHSA-N	324.356	1.538	50	20	DDGD	
O=C(Cn1cc(C2CC2)nn1)NNc1cccc(C(=O)O)c1F	1601383698	PWOMRNYTGZVZJN-UHFFFAOYSA-N	319.296	1.136	50	20	DDGD	
Cn1c(C=NNC(=O)COc2ccccc2F)ccc1C(=O)O	1600912335	QPLVJEITGYPYHM-UHFFFAOYSA-N	319.292	1.392	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)c1cc(C(F)F)[nH]n1	1601560141	RBHOPRNRFXUZLJ-UHFFFAOYSA-N	314.223	1.942	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@@H]1C(=O)NN=C1CCCOCC1	1549308547	CFZTYHXLTGXEKD-KBPBESRZSA-N	320.393	1.561	50	20	DDGD	
CN1CCC[C@H](NC(=O)NNc2ccc(C(=O)O)cc2F)C1	1610132246	XLALOEVGUDXZTH-JTQLQIEISA-N	310.329	1.244	50	20	DDGD	
O=C(NN=Cc1cc(O)cc(Cl)c1)[C@H]1CN2CCC[C@H]2CO1	1550697627	VHPKJVBPJFWPJA-GXTWGEPZSA-N	323.780	1.359	50	20	DDGD	
O=C(NN=Cc1cc(O)cc(Cl)c1)[C@H]1CN2CCC[C@@H]2CO1	1550697629	VHPKJVBPJFWPJA-TZMCWYRMSA-N	323.780	1.359	50	20	DDGD	
Cc1nc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)sc1C	1550697971	ZBQKLERKKYLGEX-RYUDHWBXSA-N	308.407	1.073	50	20	DDGD	
Cc1ccc(NNC(=O)C2([C@@]3(O)CCCNC3)CCC2)cc1F	1579724083	PPGOQXREPFQTHR-QGZVFWFLSA-N	321.396	1.862	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)Nc1cc2cc[nH]c2cn1	1574578799	PKVPKEVZBRWWSX-UHFFFAOYSA-N	312.289	1.805	50	20	DDGD	
COc1cc(NNC(=O)[C@H](N)CCSC)ccc1Cl	1579167175	YEOFAFHQQYJQNK-SNVBAGLBSA-N	303.815	1.872	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1ncccn1)C2	1845164276	WVFTUWXZGWNDNT-LLVKDONJSA-N	322.796	1.311	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNc2cccc(C(=O)O)c2F)CC1=O	1595896851	RGVBQHNDWPPYPU-VIFPVBQESA-N	323.324	1.226	50	20	DDGD	
C[C@@H](NC(=O)[C@]1(c2ccccc2)C[C@@H]1Br)C(=O)O	1594200105	SQHYRBYTDOYUPF-DVYJOKAKSA-N	312.163	1.681	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2cccc(C(=O)O)c2F)CC1	1596542059	FIYPPWMDPZSASA-UHFFFAOYSA-N	310.281	1.310	50	20	DDGD	
O=C1Nc2ccccc2C1=NNC(=O)c1cccc(C(=O)O)c1	1776094822	NBIABRBXJXICJX-UHFFFAOYSA-N	309.281	1.471	50	20	DDGD	
CC(C)n1ncc2cc(C(=O)NNC(=O)c3ccncc3)cnc21	11763000	ZCSFWPNOEMBQCJ-UHFFFAOYSA-N	324.344	1.482	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)c2ccccc2O)cc1	17573345	DDWSPTSOVZSYEF-UHFFFAOYSA-N	300.314	1.866	50	20	DDGD	
C[C@H]1CC(NC(=O)NNC(=O)CCc2ccccc2)C[C@H](C)O1	161570368	ICWVIWYUSWZALF-STQMWFEESA-N	319.405	1.906	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cccc(CN(C)C)c2)[nH]n1	152158300	GIPNMQOMAIPWRQ-UHFFFAOYSA-N	316.365	1.246	50	20	DDGD	
N#Cc1cccc(NNC(=O)CNC(=O)OCc2ccccc2)c1	152654566	VZKCJHNSLPGGPI-UHFFFAOYSA-N	324.340	1.928	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(-c3ccccc3)nn2)ncn1	153053773	YASIELKOLUBRBG-UHFFFAOYSA-N	306.329	1.999	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cccc(F)n2)n1	155706665	KPXGUUFMRPNUIE-UHFFFAOYSA-N	304.329	1.614	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNc1nccc(N(CC)CC)n1	155754329	WTPYQJMORFLKMO-LBPRGKRZSA-N	307.398	1.747	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1cc(F)c(F)cc1F	157321476	WXDXYTRZDWWHTP-UHFFFAOYSA-N	303.284	1.777	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2[C@H]3CCO[C@@H]3C2(C)C)s1	154692256	ZXKXJLWSPPWNNW-USWWRNFRSA-N	323.418	1.814	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCCCNC(=O)c1cccs1	159268948	JUDVEPNUDDLJBI-KHPPLWFESA-N	307.375	1.428	50	20	DDGD	
CCCNC(=S)NNC(=O)COc1ccc(Cl)cc1	6854504	GWRXYWOACCOLJJ-UHFFFAOYSA-N	301.799	1.624	50	20	DDGD	
O=C(CN1CCSC[C@H]1c1ccccc1)NNC(=O)C1CC1	115560988	KEBJVJXXDKEXFN-AWEZNQCLSA-N	319.430	1.334	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)NCC(F)(F)F)c1ccccc1F	109023351	JZJKPWREDZOPBE-SSDOTTSWSA-N	307.247	1.822	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CCC(F)(F)F)c1	173059027	CLKHKCZTLLEEPE-UHFFFAOYSA-N	304.268	1.864	50	20	DDGD	
COc1cc(CNC=C(C#N)C#N)ccc1OCC(=O)N(C)C	55006834	YYZNNHLYNKUKIP-UHFFFAOYSA-N	314.345	1.183	50	20	DDGD	
CNC(=O)NNC(=O)c1ccccc1-c1nc(C(C)(C)C)no1	108786250	BKWGFDBFIIHHIL-UHFFFAOYSA-N	317.349	1.608	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	55483753	JXKCRLXWNFQQCN-UHFFFAOYSA-N	319.405	1.699	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC1(c2ccc(F)cc2)CCC1	66702374	WYIBKHJWDRBLLU-UHFFFAOYSA-N	323.368	1.614	50	20	DDGD	
Cc1ccc(O[C@@H](C)C(=O)NNC(=O)Cc2cccnc2)cc1	103425257	SDKXKVSRJXNYMF-ZDUSSCGKSA-N	313.357	1.547	50	20	DDGD	
CCCN(C)c1ccc(C(=O)NNC(=O)NCCCOC)cc1	58269297	KFPLWGBMCCUZJZ-UHFFFAOYSA-N	322.409	1.513	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1ccc(N2CCCC2)nc1	178954129	OEWFKBWIKTVSGH-WYMLVPIESA-N	300.362	1.742	50	20	DDGD	
Cc1cc(NNC(=O)C[C@@H](C)NC(=O)C2CCCC2)ncn1	172272595	JSIROZMZXWKOHH-LLVKDONJSA-N	305.382	1.313	50	20	DDGD	
O=C(CC1CCOCC1)NNC(=O)c1ccc2ccccc2n1	117230550	YPOYTAVLHKKVNM-UHFFFAOYSA-N	313.357	1.813	50	20	DDGD	
Cc1nc(-c2ccsc2)ccc1C(=O)NNC(=O)CN(C)C	113426624	HWBRKBFQCDIVHB-UHFFFAOYSA-N	318.402	1.441	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)C1(Cc2ccccc2)CC1	177275382	ZSHJGZDJAFTEOO-UHFFFAOYSA-N	309.369	1.794	50	20	DDGD	
CCOCCC(=O)N/N=c1\nc(-c2ccccn2)[nH]c(C)c1C	114891940	BIDRVINQEVLEBH-UHFFFAOYSA-N	315.377	1.447	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNc2cc(F)c(F)cc2F)c1	172087433	PRUPQXNVENENGH-UHFFFAOYSA-N	309.247	1.960	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)c2cccc(C(F)F)c2)nn1	176903489	IHWUVYWLKIXYML-UHFFFAOYSA-N	307.260	1.270	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@H](C)C2CC2)o1	175273783	NKPJOJWZZAEWIQ-LLVKDONJSA-N	307.394	1.929	50	20	DDGD	
O=C(NNc1cccc(C(F)(F)F)c1)C(=O)Nc1ccon1	120301771	UCDUJZBWILXWFW-UHFFFAOYSA-N	314.223	1.775	50	20	DDGD	
COc1cccc(NNC(=O)c2cc3ccccc3[nH]c2=O)n1	180678486	VJXSICZXFSOQCI-UHFFFAOYSA-N	310.313	1.689	50	20	DDGD	
CCCCC(=O)NNc1c(OC)cccc1S(C)(=O)=O	186069103	XGLOTEYIPKANLP-UHFFFAOYSA-N	300.380	1.732	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NNc2cc(C#N)cc(Cl)n2)C1	126066876	ZDLKZRZQDHRIPB-NSHDSACASA-N	321.768	1.308	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(-c2cccs2)on1	184369154	NLOVRFGBZAESGT-UHFFFAOYSA-N	317.330	1.959	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	124930741	MPZRUACTOMJRHO-CYBMUJFWSA-N	305.403	1.999	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Nc1cccc(C)n1	124567556	HOCJDRNKWBAXQC-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)[C@@H]2CCSC2)cc1	121177535	HGZNKMYOOFABFV-CYBMUJFWSA-N	307.419	1.193	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2ccccc2F)nc1C	182723935	WPNQVWZREWPQTF-UHFFFAOYSA-N	318.308	1.858	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1	126569396	JHTKBXODMRHEMG-JSGCOSHPSA-N	322.453	1.722	50	20	DDGD	
O=C(NNc1ccccn1)c1cc(N2CCNC2=O)ccc1F	181194052	TXELZLSNEHXHSZ-UHFFFAOYSA-N	315.308	1.507	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc2ncsc2c1	184495068	CMEHNBRUKFJMRJ-UHFFFAOYSA-N	320.374	1.428	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)n1	180700193	GXYSTIOHEYAWNZ-LLVKDONJSA-N	318.377	1.324	50	20	DDGD	
O=C(NNc1ccncc1)[C@H]1CC(=O)N(Cc2ccco2)C1	180522179	MEFPXLDUXZLEQI-NSHDSACASA-N	300.318	1.166	50	20	DDGD	
CCCOc1ncccc1CNC(=O)NNC(=O)c1ccc[nH]1	120863538	HDRLHJLEJFOTCA-UHFFFAOYSA-N	317.349	1.343	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1CN(CC)CCO1)c1ccccc1	73552761	ZXSFRUVJFURPRQ-GJZGRUSLSA-N	319.405	1.048	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)c1ccc(N2CCCC2)nn1	183019977	LNBOERFSNMQKIY-UHFFFAOYSA-N	318.768	1.882	50	20	DDGD	
CC(C)(C)c1ccc(OCCCC(=O)NNC(=O)CO)cc1	180945250	UHTYFZFPHOOQFM-UHFFFAOYSA-N	308.378	1.283	50	20	DDGD	
Cc1ccc(-n2nc(C(=O)NNC(=O)N(C)C)cc2C)cc1	180186832	HXCRDQIBGZROAP-UHFFFAOYSA-N	301.350	1.405	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@@H](C)c2nccs2)n1	184266916	BAWSDUPRYDYZOL-MRVPVSSYSA-N	322.394	1.680	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@H]2OCCc3ccccc32)n1	134134040	PUPXHTSGGJCKJW-LBPRGKRZSA-N	319.752	1.469	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)[C@@H]1CSCCS1	193472625	KVOWWIWFVHRMKR-NSHDSACASA-N	306.416	1.922	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2cc(C#N)ccc2C)c1	190045315	XESJBRKUVCUISU-UHFFFAOYSA-N	309.329	1.652	50	20	DDGD	
O=C(NCc1ccccc1F)NNc1nc2ccccn2n1	190373792	BHUCRFIAHKFMOJ-UHFFFAOYSA-N	300.297	1.695	50	20	DDGD	
Cc1nc2ccccc2n1CCNC(=O)NNc1ncccn1	45101313	MVEZRRILRSCDFM-UHFFFAOYSA-N	311.349	1.461	50	20	DDGD	
Cc1cc(C(=O)NNc2nccc(N3CCOCC3)n2)oc1C	133606837	GCYPNTWWCIGSEC-UHFFFAOYSA-N	317.349	1.280	50	20	DDGD	
C=C[C@@](C)(CC)C(=O)NNC(=O)COc1ccccc1OC	134905738	RLROXZUVRJQWPT-INIZCTEOSA-N	306.362	1.824	50	20	DDGD	
COC(=O)c1ccc(/C=C(/C#N)C(=O)Nc2ccn(C)n2)cc1	134498819	ZZWKDYUYIICKPP-LCYFTJDESA-N	310.313	1.752	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCC(=O)N(C)C)c1C	192717566	UXHIVHBFVDUTFM-OQLLNIDSSA-N	316.405	1.626	50	20	DDGD	
CC(C)n1nccc1NC(=O)NNc1nc2ccccn2n1	191414784	ZVGQSJJROACPPL-UHFFFAOYSA-N	300.326	1.655	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)Cc2cccnc2)CCS1	83650391	SLCOKAKUOXNFLX-UHFFFAOYSA-N	308.407	1.192	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1ccn(-c2ccc(F)cc2)n1	97255718	SFKVXGZFWZEYOF-UHFFFAOYSA-N	313.292	1.414	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C\c1cc2c(cc1[N+](=O)[O-])OCCO2	147598736	BFDYANNQEGAEGT-WDZFZDKYSA-N	315.285	1.575	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)ccn1)c1ccc(Cl)nc1	97496267	GZBZCSQQYKQHES-UHFFFAOYSA-N	311.128	1.858	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@@H]([C@H](C)N)C1	237474390	SSZBVKTXTIKXLC-GXFFZTMASA-N	312.845	1.938	50	20	DDGD	
C[C@H]1CCCN(C[C@H](C)NC(=O)NNC(=O)CC(C)(C)C)C1	246118184	KOZYGXHXTODOSH-STQMWFEESA-N	312.458	1.873	50	20	DDGD	
CCOC(=O)Cc1nnc(N/C=C(\C#N)C(=O)OCC)s1	269668340	AGOKPRULXJKINS-BQYQJAHWSA-N	310.335	1.026	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2nonc2C)c1C	265064604	ROVPUUSWDMVJPE-LLVKDONJSA-N	318.333	1.223	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNC(=S)Nc1cccc(C)c1C	268307984	FNOTVYUGESFXFT-JTQLQIEISA-N	323.418	1.820	50	20	DDGD	
Cc1nc(C(F)(F)F)ccc1C(=O)NNC(=O)C1CCC1	264647703	ASIOFAMWLDWETC-UHFFFAOYSA-N	301.268	1.970	50	20	DDGD	
COC(=O)C(C)(C)CNC(=O)NNc1ncnc2ccsc12	268920258	WJKKFUINMHRFNE-UHFFFAOYSA-N	323.378	1.517	50	20	DDGD	
CCCc1ccccc1NC(=O)NNC(=O)[C@H](C)OCCOC	273326352	MEAFKPNOHVETRS-LBPRGKRZSA-N	323.393	1.843	50	20	DDGD	
CCOc1cccc(NC(=O)C(=O)NNC(=O)[C@H](C)CC)c1	274029341	CFJXPYOJWNHEDN-SNVBAGLBSA-N	307.350	1.217	50	20	DDGD	
C#CCOc1cc(F)ccc1NC(=O)NNC(=O)CC1CC1	273489435	OASPQABKEBPBEU-UHFFFAOYSA-N	305.309	1.791	50	20	DDGD	
COCCSc1ccc([N+](=O)[O-])cc1C(=O)NNC(C)=O	270570652	BDFITKWNINZHDN-UHFFFAOYSA-N	313.335	1.114	50	20	DDGD	
CC(C)(C)n1nccc1NC(=O)NNC(=O)c1ccccn1	276830095	POHJEPKSWGTBGH-UHFFFAOYSA-N	302.338	1.500	50	20	DDGD	
C[C@@H](CO)CCCNC(=O)NNC(=O)c1cccc(Cl)c1	270363455	BZYPBFZXVRUYCT-SNVBAGLBSA-N	313.785	1.693	50	20	DDGD	
CCN(C)C(=O)[C@@H](C)NC(=O)NNC(=O)Nc1ccccc1C	276952117	RPDVEIKUFWPCSE-LLVKDONJSA-N	321.381	1.198	50	20	DDGD	
COC(=O)[C@H]1COCCN1CCO[Si](C)(C)C(C)(C)C	367359951	CZYGCOKDPOFKPJ-GFCCVEGCSA-N	303.475	1.882	50	20	DDGD	
C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CC=C(C#N)CC1	272627716	JZLZOZQDNXHKGQ-LBPRGKRZSA-N	304.394	1.689	50	20	DDGD	
COc1cccc(NNC(=O)Nc2cnc3c(c2)COCC3)n1	378543425	JLKFHMTWTRLNTC-UHFFFAOYSA-N	315.333	1.707	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1SCCc2sccc21	281174943	JENAYQFNZPQZLL-SNVBAGLBSA-N	313.473	1.760	50	20	DDGD	
COC(=O)N(C)NC(=O)C(C)(C)Cc1nc2ccccc2[nH]1	286486188	VPXCVVIOAZDPHL-UHFFFAOYSA-N	304.350	1.861	50	20	DDGD	
O=C(NNc1cccc(F)n1)Nc1cnc2c(c1)COCC2	377314773	GJRPOEJQSLXPEE-UHFFFAOYSA-N	303.297	1.837	50	20	DDGD	
COCCN(C)NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1	288569554	QSXHGBILTCXGRQ-NSHDSACASA-N	307.177	1.636	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@]12CCOC2)c1cccc2ncccc12	375182135	JPEFEJVKLROJPF-GUYCJALGSA-N	311.341	1.422	50	20	DDGD	
C[C@H](NC(=O)NNc1cccnn1)[C@@H]1OCCc2sccc21	377398261	JLOJNBFIBJDKOJ-ZANVPECISA-N	319.390	1.867	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)CNc2ccc(OC)cc2)C1	287165977	QOTZXRDUNOWXEC-UHFFFAOYSA-N	321.377	1.070	50	20	DDGD	
COC(=O)c1cc(OC(=O)c2coc(C)n2)ccc1[N+](=O)[O-]	808401173	BWSUKZQZKPGXPP-UHFFFAOYSA-N	306.230	1.897	50	20	DDGD	
CO[C@@H](CNS(=O)(=O)CBr)Cc1ccccc1	295293033	NOPBWLVVFYPQPW-LLVKDONJSA-N	322.224	1.516	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)COc1ccc(C)cc1)C1CC1	297604221	WCZHUABBXDYBNB-AWEZNQCLSA-N	321.377	1.129	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@H](C)C(F)(F)F	808335853	ZDBNCSBUKCGFSA-SECBINFHSA-N	303.284	1.819	50	20	DDGD	
NC(=O)c1ccccc1NCC(=O)NNc1nc2ccccc2[nH]1	809741277	LOAXVKQJOWYBAP-UHFFFAOYSA-N	324.344	1.217	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCCC(=O)NC2CC2)cc1	297041986	JNRJLHSCNGUURS-UHFFFAOYSA-N	320.393	1.770	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@H]2CCc3c(F)cccc32)O1	297163940	JOHXHXUPKKJNDH-HERUPUMHSA-N	321.352	1.711	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1occc1Br	295657168	VOQBZUMLPXXLDQ-MRVPVSSYSA-N	317.139	1.372	50	20	DDGD	
C[C@H](Oc1cccc(F)c1)C(=O)NNC(=O)NC1CCCC1	299380745	ZPANTPIZKNXAHZ-JTQLQIEISA-N	309.341	1.866	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)Cn2nc(C)cc2C)cs1	292762297	WRMIGUVSYJHIKV-UHFFFAOYSA-N	320.374	1.225	50	20	DDGD	
Cc1nc2ccc(NC(=O)NNc3ccc(Cl)nn3)cn2n1	809897402	DUBNWGGPZGDNHS-UHFFFAOYSA-N	318.728	1.630	50	20	DDGD	
CN(C)c1cnc(C(=O)NNC(=O)Nc2ccccc2)cn1	801990827	ACDNCBSQZHTUPC-UHFFFAOYSA-N	300.322	1.009	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)CCCc1ccccc1)OC	290678224	IPQVOXNZHRZRRE-AWEZNQCLSA-N	307.394	1.765	50	20	DDGD	
CSCc1cccnc1C(=O)NNC(=O)c1ccccc1O	809984706	VUFHSNNYJZCDFS-UHFFFAOYSA-N	317.370	1.725	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@H]2CCCc3occc32)O1	297079167	LYLKWAZZOZSMOR-GAFUQQFSSA-N	307.350	1.555	50	20	DDGD	
CCC[C@H](CCCS(C)(=O)=O)C(=O)NNC(=O)CC1CC1	819125918	FWXFYOGVNFDCNX-GFCCVEGCSA-N	318.439	1.175	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNc1nnc(-c2ccccn2)s1	812556610	RBQHEDJUYHNIEG-ZJUUUORDSA-N	321.406	1.962	50	20	DDGD	
Cc1cccc2c(=O)n(CC(=O)NCCCSC#N)cnc12	816538797	HNUGPCOBEHUJBF-UHFFFAOYSA-N	316.386	1.426	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cnn(-c2ccccc2)c1)C(C)(F)F	815600450	TZWUFWSCKNQRLH-SNVBAGLBSA-N	322.315	1.925	50	20	DDGD	
O=C(NNc1ncncc1F)Nc1ccn(CC(F)F)n1	814657023	AJFCMWGPBVAFGM-UHFFFAOYSA-N	301.232	1.226	50	20	DDGD	
O=C1CCCCC[C@@H](C(=O)NNC(=O)NCc2ccco2)C1	813424253	JAZCJOFTJRRGNZ-LLVKDONJSA-N	307.350	1.650	50	20	DDGD	
CN(NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C1CC1	819649140	HJABLIGWVNDYQZ-UHFFFAOYSA-N	316.317	1.647	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@H]2CN(C)C[C@H]21	819717456	GEHWOJIGLIXKBG-UONOGXRCSA-N	324.856	1.905	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)Nc1cccc(NC(=O)NN(C)C)c1	816406124	GFLRPTIOEKTQMU-MFKMUULPSA-N	306.366	1.648	50	20	DDGD	
O=C(NNc1cc(Cl)nc(Cl)c1)[C@H]1CCS(=O)(=O)C1	819741075	DQYBUDVVINBUMP-LURJTMIESA-N	324.189	1.266	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccc(Cn2cccn2)cc1	817071558	WECOGODUCVCCPL-UHFFFAOYSA-N	312.308	1.617	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)cn1	826359757	PPPBXRXHMJBLTB-ACAGNQJTSA-N	305.301	1.390	50	20	DDGD	
CCOC(=O)N[C@H](C(=O)NNc1cccc([N+](=O)[O-])c1)C(C)C	496405478	YZKCHMDUVJXKHB-LBPRGKRZSA-N	324.337	1.809	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1	495824723	YCYMMELCGYZBGU-UHFFFAOYSA-N	319.277	1.124	50	20	DDGD	
CCOc1cccc2[nH]cc(CC(=O)NN(C)[C@H](C)CO)c12	823934994	MECCAGFMFZVUAY-LLVKDONJSA-N	305.378	1.453	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(N(C)C)cc(C(F)(F)F)c1	823912177	BIBZLWDPFIVMTL-SECBINFHSA-N	319.327	1.729	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H]1CCc2c[nH]nc2C1	491161917	PZHHIMCGBPQNPN-LVOZBFFPSA-N	308.341	1.696	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1nccn1CC(F)(F)F	728786565	NHAPJFFGGLMROC-UHFFFAOYSA-N	311.267	1.533	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNC(=O)COc1ccc(C#N)cc1	820631036	UFEWMSAOBDLDCA-ZDUSSCGKSA-N	314.345	1.069	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)C(C)(C)CN1CCOCC1	821158890	VAXAFHRALQGIOY-UHFFFAOYSA-N	309.385	1.936	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cc(OC)c(OC)cc1F	491051601	SUQURRAFUFVJDL-WDZFZDKYSA-N	308.309	1.512	50	20	DDGD	
C=Cc1ccc(CCNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	826841596	WWASWXNKSWWKKO-IUODEOHRSA-N	317.389	1.628	50	20	DDGD	
Cc1cccc2ncc(/C=C(/C#N)C(=O)Nc3ccn(C)n3)n12	490813176	OMMYECVDNGWOKI-WQLSENKSSA-N	306.329	1.922	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc2nc(OCC)[nH]c2c1	827690972	QVVNXUBSAFTXRD-UHFFFAOYSA-N	305.338	1.268	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@H]2CC23CCSCC3)cc1	822867628	FTXPAEXIPDJEFT-CYBMUJFWSA-N	315.398	1.853	50	20	DDGD	
Cc1cnc([C@H](C)NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)s1	826131935	XUMVTIDJEJIQII-IVZWLZJFSA-N	312.395	1.268	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccncc2)c2c1CCC2	826615921	QBTAIXXXLBQOIQ-UHFFFAOYSA-N	309.369	1.882	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)[C@H]2CCO[C@H]2C)cc1C	901257858	DFKDCRNYMKTJFG-FZMZJTMJSA-N	304.346	1.657	50	20	DDGD	
N#Cc1ccc(NNC(=O)CS(=O)(=O)C2CC2)cc1Cl	829132933	CTMCDGWNVJDWTK-UHFFFAOYSA-N	313.766	1.232	50	20	DDGD	
Cc1nn(Cc2ccccc2)c(C)c1C(=O)NN(C)[C@H](C)CO	823983110	LEDDGXMFQBUICE-GFCCVEGCSA-N	316.405	1.506	50	20	DDGD	
Cc1cc(C(=O)N2CC[C@@H](B(O)O)C2)c2cnn(C(C)C)c2n1	585068682	DMBXTBITNHDXSH-LLVKDONJSA-N	316.170	1.010	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC[C@H]1c1ccccc1	827315996	XMFHFARVLJARMU-QEJZJMRPSA-N	317.389	1.989	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC[C@@H]1CCc1ccccc1	827434286	CGBYVZLFGMDSEO-MRXNPFEDSA-N	317.433	1.887	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cccc(F)c1Cl	497145004	GNZDJSZNBYFLDB-UHFFFAOYSA-N	303.677	1.195	50	20	DDGD	
CC(C)(C)OC(=O)NCc1cc(C(=O)NNC(=O)C2CC2)co1	495500930	CBBAHWHSECDYDD-UHFFFAOYSA-N	323.349	1.475	50	20	DDGD	
O=C(/C=C\c1cccnc1)NN=c1nc(-c2cccnc2)[nH]o1	491753334	VVGKFTGZBNTUKX-WAYWQWQTSA-N	308.301	1.105	50	20	DDGD	
CC(C)c1ccc(C(=O)N2CC[C@H](B(O)O)C2)cc1[N+](=O)[O-]	585064098	MMEWFFJOFPPYQU-NSHDSACASA-N	306.127	1.407	50	20	DDGD	
CCN(CCO)NC(=O)[C@H](C)Cc1cnc2ccccc2n1	823889240	NUPFQXZCHKRLFD-GFCCVEGCSA-N	302.378	1.154	50	20	DDGD	
OB(O)c1ccc(CNC[C@H]2CCCN(c3ccccc3)C2)cc1	585038432	DXPBVWCJBHTLIL-QGZVFWFLSA-N	324.233	1.373	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1cnc(N2CCCC2)nc1	490587856	NCFGREFPHNBYID-ZROIWOOFSA-N	315.377	1.136	50	20	DDGD	
C[C@@H](NCc1cccc(B(O)O)c1)c1ccc(OC(F)F)cc1	585015218	STSBIUYOXITMAM-LLVKDONJSA-N	321.132	1.819	50	20	DDGD	
COC(=O)N(C)N=Cc1cn(CCC#N)nc1-c1ccncc1	495748744	UOAVSSBXUHNNCR-UHFFFAOYSA-N	312.333	1.891	50	20	DDGD	
C=C[C@@H]1OCCC[C@H]1NC(=O)NNC(=O)c1ccccc1F	836427743	DKQADCZSGSKXFD-OLZOCXBDSA-N	307.325	1.503	50	20	DDGD	
Cc1ccc2ccccc2c1S(=O)(=O)N1CC[C@@H](B(O)O)C1	585057075	JZMZWFKFTCTWGU-CYBMUJFWSA-N	319.191	1.386	50	20	DDGD	
C[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H](c2ccco2)C1	584954210	JMNUZKMCTUAAHQ-SWLSCSKDSA-N	313.162	1.573	50	20	DDGD	
CC(C)CC[C@@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1	584963432	YIXBXKSYSQTXAC-AWEZNQCLSA-N	303.211	1.655	50	20	DDGD	
CC[C@H](NC(=O)NNc1ncc(F)cc1F)[C@@H]1CCCO1	838535036	LLDFROWQTCPRMN-QWRGUYRKSA-N	300.309	1.944	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@@H]1C	834937202	JPKILMJXMUMNNM-CYZMBNFOSA-N	300.424	1.740	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H](N2[C@@H](C)CC[C@@H]2C)C1	735493595	YQJKSBMQJNQKDA-AJNGGQMLSA-N	324.469	1.270	50	20	DDGD	
CC(C)[C@H]1C[C@@H](CC(=O)Nc2cccc(B(O)O)c2)CCO1	584913870	KVOXKDAVCDWEGA-SWLSCSKDSA-N	305.183	1.146	50	20	DDGD	
CC1(C)C[C@@H](NC(=O)NNC(=O)N=c2cc[nH]cc2)C(C)(C)O1	836392555	JEVSUUQCRIGSHS-LLVKDONJSA-N	321.381	1.185	50	20	DDGD	
CN(C(=O)c1ccc(B(O)O)cc1)[C@@H]1CCC[C@@H]1C(C)(C)C	584998863	BJUQUOGMZXXHGS-LSDHHAIUSA-N	303.211	1.653	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2	837393063	TVEKXLYHVQEINS-RRFJBIMHSA-N	314.385	1.772	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C(F)(F)c2ccc(F)cc2)cn1	735444773	WXQLFQMRZLORCF-UHFFFAOYSA-N	312.251	1.112	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1C[C@H]1[N+](=O)[O-]	839783614	RUEQGLGXXXXHPR-HZGVNTEJSA-N	300.658	1.357	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNC(=O)CNc1ccccc1OC	839483082	VAPPYENZAINFLX-LBPRGKRZSA-N	309.366	1.070	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNc1ccc(Br)nc1	732838179	LGEZTCFICJSDAY-SSDOTTSWSA-N	315.171	1.202	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1c(C)cc(C)nc1C	905342596	JYUGZQRJLIRMHQ-UHFFFAOYSA-N	324.450	1.494	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNc1ccc(C(=O)OC)cc1F	837207779	ZZKBUGINEGBDBC-VHSXEESVSA-N	312.341	1.974	50	20	DDGD	
Cc1ccccc1C1CCN(CC(=O)NNC(=O)C2CC2)CC1	733197890	DLMAVWPYLMJPPP-UHFFFAOYSA-N	315.417	1.732	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OC[C@H]1CCNC(=O)CC1	837562848	SBBKAPUPOGJSFM-CKXDQPNJSA-N	314.341	1.759	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@@H]1Cc1ccccc1	744385443	LENVNBJFGSRYPK-OAHLLOKOSA-N	317.433	1.887	50	20	DDGD	
C[C@H]1CC(=NNC(=O)Cn2nnc(-c3ccccc3)n2)[C@@H](C)O1	834921110	PADMDHVFELSVBE-WDEREUQCSA-N	314.349	1.010	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNC(=S)N[C@H](C)C2CC2)s1	912158990	BILWCZQCHGDIII-SSDOTTSWSA-N	312.464	1.596	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)c1nnc(O)c2ccccc12)C1CC1	917915802	XQVQCXFMTNPUDI-CMDGGOBGSA-N	312.329	1.453	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)[C@H]1Cc2ccccc21	742036383	JXXVKBUOFOMMEE-HNNXBMFYSA-N	314.316	1.692	50	20	DDGD	
NC(=O)COc1ccc(C=NNC(=O)c2ccc(O)cc2)cc1	745983829	GBZLSWYVAOILOL-UHFFFAOYSA-N	313.313	1.020	50	20	DDGD	
NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1cc(Cl)cc(Cl)c1	847893503	CGEQKADWUBAPHY-UWVGGRQHSA-N	302.161	1.948	50	20	DDGD	
Cc1cccc2c1CCN(CC(=O)NNC(=O)C(C)(C)C)C2	744399074	WCHMOCPFGSOSIH-UHFFFAOYSA-N	303.406	1.547	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNC(=O)c2ccccc2F)s1	749367701	LFYYWDUHEIRFSE-UHFFFAOYSA-N	307.306	1.061	50	20	DDGD	
O=C(NCC[C@]1(O)CCCOC1)NNc1c(F)cccc1F	845714465	FDEBPCMDPVPCOU-CQSZACIVSA-N	315.320	1.523	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2ocnc2C)cc1	747821688	JVAISLSPBZIIEP-UHFFFAOYSA-N	303.318	1.385	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCc2ccoc2C)c1	919780539	FBCVJETWCSSTCZ-UHFFFAOYSA-N	317.345	1.806	50	20	DDGD	
CCOc1ncccc1CNC(=O)NNC(=O)CC(F)(F)F	918067679	UMTQYGKHQQHSDI-UHFFFAOYSA-N	320.271	1.263	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C=NNC(=O)N2CCOCC2)c1C	745591051	OZMFONYMOWGQQB-UHFFFAOYSA-N	322.365	1.184	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)Cc2c[nH]c3ccccc23)c2ncnn21	841612380	IYQBXWAAKNUSPE-SNVBAGLBSA-N	308.345	1.787	50	20	DDGD	
O=C(NCCC1CCNCC1)NNC(=O)c1cccc(Cl)c1	846210423	MVRNTHKIKNSWMC-UHFFFAOYSA-N	324.812	1.674	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)N=c1cc[nH]cc1)[C@H]1CC1(C)C	841593616	IIRZIIGPQASGHO-NEPJUHHUSA-N	305.382	1.664	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1cccc(C)c1	743445784	HBPUZBUTVXCXFK-UHFFFAOYSA-N	300.318	1.279	50	20	DDGD	
CNCCCNC(=O)NNc1ccc(C#N)cc1C(F)(F)F	841916067	YSXNSPHOUKTZSB-UHFFFAOYSA-N	315.299	1.813	50	20	DDGD	
CCc1ccc(C=NNC(=O)[C@H](C)CN2CCOCC2)cc1	916362455	KUYYQQBMKLNGFO-CQSZACIVSA-N	303.406	1.667	50	20	DDGD	
COc1cc(C=NNC(N)=O)ccc1OC(=O)c1cccnc1	916247787	ATBABZNLVQELQX-UHFFFAOYSA-N	314.301	1.312	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NC[C@@]2(C)CCCO2)cc1	845029625	JVHYYAKCWJHUBZ-MRXNPFEDSA-N	321.377	1.597	50	20	DDGD	
Cc1ccc(-c2nn(C)cc2/C=C(\C#N)S(=O)(=O)N(C)C)o1	843270399	ZVIKMWQGFWHSDH-KPKJPENVSA-N	320.374	1.744	50	20	DDGD	
C[C@]1(C(=O)NCc2ccc(O)cc2O)C[C@@H]1Br	910944466	MNQGBFPYUXKBAG-JQWIXIFHSA-N	300.152	1.888	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCC2(N)CCCCC2)cc1	841923835	GXEYFXFXKCFFHY-UHFFFAOYSA-N	318.421	1.855	50	20	DDGD	
COCCCOCCC(=O)NNC(=O)Nc1ccccc1C	847118004	ZRQBJLZIOOXBDA-UHFFFAOYSA-N	309.366	1.591	50	20	DDGD	
CCC(=NNC(=O)c1nnc(O)c2ccccc12)[C@H]1CCOC1	741838089	PFRNALWZOBPKOV-JTQLQIEISA-N	314.345	1.868	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H](C)COCCOC)cc1	745864817	YFUBFQFWURVAIP-GFCCVEGCSA-N	323.393	1.245	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)CCCC2	843640299	BOTYYRASQCNWNT-NHYWBVRUSA-N	302.374	1.751	50	20	DDGD	
COc1ccc(O)c(C=NNC(=O)Cc2cn3ccccc3n2)c1	747637536	AWZMWDQHNDUZBZ-UHFFFAOYSA-N	324.340	1.741	50	20	DDGD	
Cc1ncsc1C=NNC(=O)COc1ccccc1C#N	743427646	TYZGKINYNJPVOS-UHFFFAOYSA-N	300.343	1.852	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C[C@@H]1OCCc2ccccc21	843650652	FZGLMGOVXYCYBL-WHOFXGATSA-N	318.373	1.263	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](N2CCCC2)C1	740878220	UWXGFPCUDHNJQK-LSDHHAIUSA-N	324.469	1.129	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1[C@H]2CCCO[C@H]2C1(C)C	743442363	ZDJWOHSEVXGQMP-DGCLKSJQSA-N	309.410	1.598	50	20	DDGD	
O=C(NCCO[C@H]1CCOC1)NNc1ccc(Cl)c(F)c1	927517159	IPDYBMDFBYMHKY-JTQLQIEISA-N	317.748	1.911	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)CS(C)(=O)=O)ccc1Cl	928341311	WLPFLHDDDJAZKE-SECBINFHSA-N	304.799	1.772	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=CC[C@@H]1CCCCC12OCCO2	842557345	DGXGTUXILDVARA-MELADBBJSA-N	310.394	1.837	50	20	DDGD	
C#CC(=O)NNC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1	753887834	NYQSFKCJTRLBOE-UHFFFAOYSA-N	319.320	1.385	50	20	DDGD	
COc1nccc(NC(=O)NC[C@@]2(C)C[C@@H]2Br)n1	856860118	QZBKYBILGHEMLL-WRWORJQWSA-N	315.171	1.780	50	20	DDGD	
COC(=O)[C@H]1CN(C[C@H](CBr)C2CC2)CCO1	859119973	YYMLTYPDMRENOH-WDEREUQCSA-N	306.200	1.281	50	20	DDGD	
Cc1c([C@@H](C)NCC(=O)NNC(=O)C2CC2)oc2ccccc12	754629163	IJIGPNDNSFDFMH-LLVKDONJSA-N	315.373	1.949	50	20	DDGD	
CC(C)C(=O)NCCCNC(=O)NNc1c(F)cccc1F	757669160	VFRUJZUAKYUJKI-UHFFFAOYSA-N	314.336	1.753	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)COc2ccc(F)cc2)cn1	920986041	XUNIBTIMYFDSQW-UHFFFAOYSA-N	304.325	1.961	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)N[C@H]1CCc2n[nH]cc2C1	921511402	VIHNQMHBOHQVIE-VIFPVBQESA-N	307.304	1.872	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H]2CCN(C(C)C)C2=O)c1	858240179	DBJJYFZAXIHVED-JTQLQIEISA-N	324.406	1.010	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1cc(C(=O)O)cc(C)c1Cl	753771256	UQDGTUNIMIFTEM-UHFFFAOYSA-N	320.754	1.066	50	20	DDGD	
COC(=O)NCCCC(=O)NC[C@@]1(C)C[C@H]1Br	857396458	CGDVOBVBWLECQV-LDYMZIIASA-N	307.188	1.412	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(C(=O)OCC)cc1	755831597	JTQOACCBAMFOAR-UHFFFAOYSA-N	309.322	1.053	50	20	DDGD	
O=C(CCC[C@H](O)c1ccccc1)NNC(=O)CC(F)(F)F	854997253	BDJNTRPVJZEJKT-NSHDSACASA-N	318.295	1.990	50	20	DDGD	
C#CCNC(=S)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	758178899	AUZRNVJBUWYNLD-VIFPVBQESA-N	307.444	1.615	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCC1(C)CC1	753017930	CFFAOHMEYZLXBF-SNVBAGLBSA-N	309.341	1.724	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc2nc[nH]c2n1	755301664	MPSNXFPUCUCKGM-UHFFFAOYSA-N	311.301	1.041	50	20	DDGD	
O=C(NN=C1C2CC3CC(C2)CC1C3)C(=O)Nc1ccccn1	758381817	SQTVLKZWKNBIDK-UHFFFAOYSA-N	312.373	1.948	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)[C@@H]1CCCN(C(=O)C2CC2)C1	857355836	PEXGKNUKKNAXOX-SNVBAGLBSA-N	323.784	1.222	50	20	DDGD	
CCn1ccnc1C=NNC(=O)COc1ccccc1[N+](=O)[O-]	755541438	WJGCCCMJLQCQNZ-UHFFFAOYSA-N	317.305	1.340	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@H](C)C(F)(F)F	854282878	YAQSLAMKVRHAFN-ZETCQYMHSA-N	301.334	1.059	50	20	DDGD	
Cc1nn(C)c(N2CCOCC2)c1C=NNC(=O)C1CCCC1	755643118	OAASKYYSKBPSOE-UHFFFAOYSA-N	319.409	1.205	50	20	DDGD	
CCCCc1nc(C=NNC(=O)N2CCOCC2)c(Cl)[nH]1	755671962	IKUQRQSHXSXILS-UHFFFAOYSA-N	313.789	1.781	50	20	DDGD	
CCCc1cc(C(=O)NNc2ccc(OC)cn2)cc(O)n1	935536816	PCVVJENBDTUYHB-UHFFFAOYSA-N	302.334	1.900	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)c2ccc3ccccc3n2)O1	756902656	VQFZGOOGNVQBKB-DOMZBBRYSA-N	313.357	1.953	50	20	DDGD	
COC[C@@H]1CN(C(=O)NC[C@@]2(C)C[C@H]2Br)CCO1	856898980	JRVQWSRCFRLCLG-HOSYDEDBSA-N	321.215	1.217	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2nccnc2Cl)[C@@H]2CCCC[C@@H]2N1	857127497	RIACGLDCUDCGDA-GUBZILKMSA-N	323.784	1.268	50	20	DDGD	
CC[S@](=O)CCNC(=O)NC[C@@]1(C)C[C@H]1Br	856833920	AWAHJIWPUDDMCS-FUXNSRLFSA-N	311.245	1.228	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)Cc2cccnc2)c2[nH]ncc12	756524590	LEAXBTZONFOJHB-UHFFFAOYSA-N	324.344	1.662	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)n1	862524806	VNQQHUOPNZIMSE-RKDXNWHRSA-N	316.283	1.290	50	20	DDGD	
Cc1cc(=NNC(=O)CSCc2c(C)noc2C)cc[nH]1	862508214	KWWIFVBCYOMWKL-UHFFFAOYSA-N	306.391	1.793	50	20	DDGD	
O=C(NN=Cc1c(F)ccc(F)c1Cl)C(=O)N1CCCC1	863085602	JDIMOOMAWWJQIU-UHFFFAOYSA-N	315.707	1.691	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C2CC3(CCC3)Oc3ccccc32)N1	863148698	IKOCIQGOWPKGCQ-GFCCVEGCSA-N	313.357	1.491	50	20	DDGD	
O=C(C[C@@H]1C(=O)Nc2c(F)cccc21)NNC(=O)C1CCCC1	930133125	DQCHGFMPSUEKBS-NSHDSACASA-N	319.336	1.589	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)CCOc2ccccc2)o1	868178237	MGEKEBSDCFZNKD-UHFFFAOYSA-N	317.345	1.888	50	20	DDGD	
Cc1cc(C)n2nc(C)c(C(=O)NN=c3cc[nH]c(C)c3)c2n1	862510571	LHBQXDHZUZNCNH-UHFFFAOYSA-N	310.361	1.537	50	20	DDGD	
O=C(NNC(=O)c1cnc[nH]1)c1cc(-c2ccc(F)cc2)[nH]n1	768276702	MEVKTCONSYBMPC-UHFFFAOYSA-N	314.280	1.014	50	20	DDGD	
C[C@@H]1C[C@@H](CC(=O)NNC(=O)CS(C)(=O)=O)CC(C)(C)C1	863460783	MQQFBSXYILKDTF-MNOVXSKESA-N	318.439	1.031	50	20	DDGD	
CC[C@H](CC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(C)cc1	862454591	HYUPJDXZBOWKMM-OCCSQVGLSA-N	317.389	1.305	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CC(F)(F)C(F)(F)F	869068850	WHBROXLEGNCUSD-RITPCOANSA-N	304.215	1.147	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(Br)c(OC)c1	861656440	MCTJKYUNOJPPFC-UHFFFAOYSA-N	317.139	1.801	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C(C)(C)C(N)=O)c1C	769867029	VLZSZBMRIHAQQF-UHFFFAOYSA-N	308.407	1.133	50	20	DDGD	
O=C1N[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)CCO1	860325069	AWQKEGDMXZADAE-SECBINFHSA-N	314.685	1.190	50	20	DDGD	
COC(=O)c1csc(/C=C(\C#N)S(=O)(=O)NC2CC2)c1	865223059	DNKLJAISOGMDLL-VZUCSPMQSA-N	312.372	1.481	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C	863866425	GHHJJPJVZHUQCW-JKSUJKDBSA-N	310.394	1.692	50	20	DDGD	
CCn1cc(C(=O)NNc2cccc(C(=O)OC)c2)c(C)n1	860682912	HQJFMUOMOUQKTF-UHFFFAOYSA-N	302.334	1.755	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1ccc(C#N)s1	762449909	PNUDQSGNJBDIJG-UHFFFAOYSA-N	306.391	1.765	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)cc[nH]1	862514886	AFVJIYJUSJASLD-CABCVRRESA-N	316.405	1.436	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cc(C2CCOCC2)nn1C	861517781	RCYDGZDBIGXXDM-JTQLQIEISA-N	323.397	1.513	50	20	DDGD	
CC(C)(C)[C@@H](O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	764597915	ONIOVNBQKRUDKD-RQYMUSGFSA-N	308.422	1.757	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)OCC(=O)[C@@H]2CCOC2)c1	762847135	WZPXQAQPGCACNJ-PFLCFFIHSA-N	315.325	1.751	50	20	DDGD	
CCCC1(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)CC1	760986505	CCMZEVAILRRYME-BETUJISGSA-N	311.426	1.213	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CSc2ccccc2O)cn1	764049706	MSLPXERVCPHDGX-UHFFFAOYSA-N	317.370	1.649	50	20	DDGD	
CC(C)[C@H]1CCCCC1=NNC(=O)[C@H]1CCS(=O)(=O)C1	764675966	MUEXIJMEFNFLBI-NWDGAFQWSA-N	300.424	1.740	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1c[nH]c2ncccc12	770247654	ZOQFBZPJZXHOGT-UHFFFAOYSA-N	309.420	1.035	50	20	DDGD	
C[C@H]1CCCC[C@@H]1CC(=O)NNc1nc(O)c2cnn(C)c2n1	770980205	NSFXPXLAEFKGKV-VHSXEESVSA-N	318.381	1.728	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CC[C@H]2CCOC2)c1	874949794	DRYOMGMJJXIUTH-ZDUSSCGKSA-N	317.414	1.802	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1ccc(N)cc1C	777900606	SCIFYKGXLQDANT-UHFFFAOYSA-N	320.393	1.942	50	20	DDGD	
O=C(CCN1CCOCC1)NNc1ccc(C(F)(F)F)cn1	775256800	QIFCBCFQCMEADK-UHFFFAOYSA-N	318.299	1.266	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc(C(F)(F)F)cc1O	776704513	CDJYFIJCBZGODV-UHFFFAOYSA-N	317.267	1.765	50	20	DDGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)[C@@H](C)N(C)C)cc1	874950108	BCEQGLNKSIPVOD-LLVKDONJSA-N	324.450	1.742	50	20	DDGD	
CO[C@@H](C)CCC(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874952680	DAFHGBXMNUSZOG-NSHDSACASA-N	324.450	1.885	50	20	DDGD	
COc1ccc(NNC(=O)c2cncc(N3CCCC3)n2)cc1	878725833	ZAOCNHCSJWLIIF-UHFFFAOYSA-N	313.361	1.842	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1snc2ccccc12	879823811	JPYZQZMYFZFJAJ-DTWKUNHWSA-N	320.374	1.874	50	20	DDGD	
C[C@@H](CBr)CN1CCC[C@@H](N2CCNC2=O)C1	770652472	KBCDEQRCLIFOIL-WDEREUQCSA-N	304.232	1.507	50	20	DDGD	
C=CCOc1cc(OC)ccc1C(=O)NNC(=S)NC(C)C	1116607291	NHAXHMPYAGKVDO-UHFFFAOYSA-N	323.418	1.777	50	20	DDGD	
CC(=O)c1cc(C(=O)NNc2nccnc2C(C)C)n(C)c1	772833392	JWDZEHGIJQKSDW-UHFFFAOYSA-N	301.350	1.898	50	20	DDGD	
COc1ccncc1NC(=O)C(=O)NNc1ccc(C#N)cc1	773693082	VOZLQIAQUSCXJS-UHFFFAOYSA-N	311.301	1.044	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2cc(C)nn2C)c(C)c1	873758865	YLCWKBGXWOLBSV-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc(N2CCCCC2)cc1	779823631	SREYYHWQVQHXJT-UHFFFAOYSA-N	318.377	1.483	50	20	DDGD	
COc1cccc(NCC(=O)NN=Cc2cccc3nccn23)c1	771096086	BOUNMWJICPYSMG-UHFFFAOYSA-N	323.356	1.905	50	20	DDGD	
Cc1ccsc1CCCC(=O)NNC(=O)C1CCOCC1	883066544	AJXKXAFJHKMIRJ-UHFFFAOYSA-N	310.419	1.953	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@H]2CC2(Cl)Cl)n1	779977117	KPDSJVXJBMSMRF-SSDOTTSWSA-N	305.165	1.910	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1c(C)ccc2cccnc12	777917347	MVPLMJFZIZAZSH-SNVBAGLBSA-N	321.402	1.899	50	20	DDGD	
CCCNC(=O)[C@@H](C)NC(=O)NNC(=O)c1ccc(CC)cc1	1122492147	NGPSXYYFCZWUPV-LLVKDONJSA-N	320.393	1.108	50	20	DDGD	
CCN(CCC(=O)NC)C(=O)/C(C#N)=C\c1ccc(O)cc1	888269357	CYDBRPKCDWQFEG-RAXLEYEMSA-N	301.346	1.284	50	20	DDGD	
C[C@@H](Cc1ccccc1)NC(=S)NNC(=O)CCN(C)C	786057490	GWLWSSLEZUTYOC-LBPRGKRZSA-N	308.451	1.065	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C(C)C)ccc1C(=O)NC(C)C	782573836	NKLRHAOKFDUFFN-UHFFFAOYSA-N	320.393	1.942	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(-c2cn[nH]c2)cc1	1123906061	VCKAFWASVPTLFX-HZMBPMFUSA-N	314.345	1.263	50	20	DDGD	
CC1(C)OC[C@@H](CNC(=O)NNc2cccc([N+](=O)[O-])c2)O1	783278990	YLIAKQKHLALQID-LLVKDONJSA-N	310.310	1.372	50	20	DDGD	
O=C(NN=CCC1CCOCC1)[C@H]1COc2ccccc2O1	788698526	FPIXLJJLLHPUPX-OAHLLOKOSA-N	304.346	1.745	50	20	DDGD	
CC1(C)[C@@H]2CC[C@@]1(C(=O)NNC(=O)[C@@H]1CCCCO1)C(=O)C2	1123799605	XIJZCQXSKZZOCM-GDLVEWKHSA-N	308.378	1.098	50	20	DDGD	
Cc1nnc(CNC(=O)NNC(=O)CCc2ccccc2)s1	780050015	JXWUNUZQSBPYQL-UHFFFAOYSA-N	319.390	1.310	50	20	DDGD	
CCCc1c(C(=O)NN(C)C(N)=O)cnn1-c1ccc(F)cc1	782765418	ZUIJQMUNAOEZLD-UHFFFAOYSA-N	319.340	1.619	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc2c(c(OC)c1)O[C@@H](C)C2	780712178	UIVDUMKOKNYQIM-VIFPVBQESA-N	307.350	1.325	50	20	DDGD	
CCNC(=O)N(C)NC(=O)COc1cccc(OCC(C)C)c1	780712542	XYGNIADHWUQAIK-UHFFFAOYSA-N	323.393	1.793	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)c2cccc(OC(F)F)c2)CO1	784092712	AVIMBDFVZHQCJU-SCZZXKLOSA-N	314.288	1.474	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCC(C)(C)O)cc1OC	786626061	VUMHNCYJCKFBSK-UHFFFAOYSA-N	310.350	1.016	50	20	DDGD	
CN1CCC[C@H](N(C)C(=O)NC[C@]2(C)C[C@H]2Br)C1	895921520	DUFIQCFQUNQMML-LOWVWBTDSA-N	318.259	1.896	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCN2CCC(C)(C)C2)n1	898597719	JJRDSMQCPLCFAI-UHFFFAOYSA-N	306.414	1.451	50	20	DDGD	
COC[C@H](C)NC(=O)NNC(=O)COc1cc(C)cc(C)c1	890158174	AONWLBZXNJCJSX-LBPRGKRZSA-N	309.366	1.048	50	20	DDGD	
C=C(CBr)COC(=O)Cn1cc([N+](=O)[O-])nc1C	795473684	QYVFSVPMBCCUNN-UHFFFAOYSA-N	318.127	1.594	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc3c(c2)ncn3C)n1	794080464	RTSPDELATGEOGP-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
CO[C@@H]1CCN(CC(=O)NNC(=O)c2ccc(C)cc2)[C@H](C)C1	799343648	LMIFZWIHIHUNJX-UKRRQHHQSA-N	319.405	1.255	50	20	DDGD	
CCc1nn(C)c(CC)c1C=NNC(=O)c1ccc(O)c(O)c1	794555669	GEIQENUKXIRXFD-UHFFFAOYSA-N	316.361	1.720	50	20	DDGD	
COc1ccccc1-n1ncc(C(=O)NNC(=O)C(C)C)c1C	798831371	HFPSITMFXVLOMH-UHFFFAOYSA-N	316.361	1.606	50	20	DDGD	
Cc1ccc2c(c1)SCC2=NNC(=O)N1CCN(C)CC1	797788775	UMUGACXWSSSXRX-UHFFFAOYSA-N	304.419	1.762	50	20	DDGD	
COc1ccc(C(=O)NNc2nc3ccccn3n2)c(F)c1	791249372	TXHAPBNRMKTNFA-UHFFFAOYSA-N	301.281	1.634	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cncc(OCC(F)F)c2)n1	1319493759	JKUIKDAFEAEJLT-UHFFFAOYSA-N	323.303	1.889	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CC2CCSCC2)cc1	1319236442	RQPABXBBFLUQMH-UHFFFAOYSA-N	308.403	1.990	50	20	DDGD	
COC(=O)C(=O)NN=Cc1sc2nc(C)nc(C)c2c1C	1318899810	BQYZSAQPHJUXGS-UHFFFAOYSA-N	306.347	1.240	50	20	DDGD	
Cc1nn(CCO)c(C)c1C=NNC(=O)c1ccc(Cl)nc1	1318068615	JPECTFKTFMHWJO-UHFFFAOYSA-N	321.768	1.305	50	20	DDGD	
O=C(CCc1ccc2c(c1)CCO2)NNC(=O)C1CCCC1	1319542806	YKOFDUUIDKCICI-UHFFFAOYSA-N	302.374	1.892	50	20	DDGD	
CC(Cc1ccccc1Cl)=NNC(=O)CN1CCCC1=O	1318813547	DCXOITRHWRFJHB-UHFFFAOYSA-N	307.781	1.997	50	20	DDGD	
CCc1csc(CC(=O)NNc2nncc(N)c2Cl)n1	1322690115	ZAYCHIGBSKWIGL-UHFFFAOYSA-N	312.786	1.417	50	20	DDGD	
O=C(CCc1ncccn1)NNc1ccc2c(=O)[nH]ccc2c1	1324101070	HBVOGJAXWVGVSE-UHFFFAOYSA-N	309.329	1.394	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)CCc1c(C)ncnc1O	1328833741	YPFSURQZIYQBEI-UHFFFAOYSA-N	320.324	1.714	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@H]1CCO[C@@]2(CCSC2)C1	1324087243	KTVGCFUYVGUWSD-HZMBPMFUSA-N	324.406	1.013	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)c2ccccc2Cl)CCCNC1	1325371535	KODDFNXIKFIWSO-HNNXBMFYSA-N	324.812	1.674	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C(C)(C)C2CCC2)c1O	1327954628	YASHHVALVNSQOH-UHFFFAOYSA-N	306.362	1.988	50	20	DDGD	
Nc1cnnc(NNC(=O)NC[C@@H]2CCCCS2)c1Cl	1320074296	UTBUUOBLWMMBST-ZETCQYMHSA-N	316.818	1.624	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=O)c1cncn1-c1ccccc1	1325573768	IZYVSVRRMIOBIQ-UHFFFAOYSA-N	310.357	1.683	50	20	DDGD	
Cc1ccsc1CCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	1329239495	KWTBSQDLCVNSNR-GHMZBOCLSA-N	311.407	1.354	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2ccc(OC)cc2)CCCC1	1328236046	PSXTVRFBYOOZRX-UHFFFAOYSA-N	306.362	1.663	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCOc1ccccc1C	1255109754	AAYYWQWLGYECHY-GFCCVEGCSA-N	322.361	1.253	50	20	DDGD	
CCC1=C(C(=O)NNC(=O)c2ccc(OC)cc2)CCCO1	1338903769	WJGIYIJMPKIMMX-UHFFFAOYSA-N	304.346	1.931	50	20	DDGD	
O=C(NNC(=O)C12CCCN1CCC2)c1ccccc1Cl	1339550165	WWJWYLFGFWZPDP-UHFFFAOYSA-N	307.781	1.729	50	20	DDGD	
CCCN1C(=O)C(=NNC(=O)C2CCOCC2)c2ccccc21	1331362908	ZXMWTOPIDXYCRI-UHFFFAOYSA-N	315.373	1.690	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CSCc1csc(C)n1	1334023145	OZWRQPPFRUFWJG-UHFFFAOYSA-N	311.432	1.636	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1cc(O)nc(C2CC2)c1	1338233366	JNCUZSFEGKOZMD-UHFFFAOYSA-N	311.305	1.088	50	20	DDGD	
C=CCCCCNC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1347968070	RVYSZUDXXFNMFM-GXFFZTMASA-N	317.227	1.749	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1ccc(Br)o1	1343236425	NBIJJGNQOSZXQS-UHFFFAOYSA-N	318.171	1.919	50	20	DDGD	
C[C@@H](Cc1ccncc1)NC(=O)NNc1nncc(N)c1Cl	1340571682	HXCHNIDBLKUYGO-QMMMGPOBSA-N	321.772	1.365	50	20	DDGD	
O=C(NCc1nnc2n1CCOC2)c1cccc(CCl)c1	1353654381	NAIAETLQYIFENS-UHFFFAOYSA-N	306.753	1.477	50	20	DDGD	
Cn1cc(C=NNC(=O)c2n[nH]c3c2CCCC3)c(C2CC2)n1	1352724882	HZRINEUPUWPJJT-UHFFFAOYSA-N	312.377	1.663	50	20	DDGD	
Cn1ccnc1CCC(=O)NNc1nccnc1C1CCC1	1528417277	KNCUFMPNODZKCK-UHFFFAOYSA-N	300.366	1.554	50	20	DDGD	
O=C(NCc1ccc(F)cn1)NNc1cccc(C(=O)O)c1	1601539282	UZUZDNDOSZHIQG-UHFFFAOYSA-N	304.281	1.745	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1[nH]c(CC)c(C(=O)O)c1C	1605283918	YUACBYYTCZMHJQ-UHFFFAOYSA-N	310.354	1.328	50	20	DDGD	
CCc1cccc(OCC(=O)NNc2ccc(C(=O)O)cn2)c1	1605831257	VBTPQADPRMHBFA-UHFFFAOYSA-N	315.329	1.864	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2Cc3cccnc3C2)cc1F	1602385009	OSEIXHMWQQFJCE-JTQLQIEISA-N	315.304	1.777	50	20	DDGD	
CN(C)c1ccc(-c2nn[nH]n2)cc1/C=C(\C#N)C(=O)NC1CC1	1604697690	RFSULBYWXZTHTB-XYOKQWHBSA-N	323.360	1.118	50	20	DDGD	
O=C(O)[C@H](C(=O)NNC(=S)NCC1CCC1)C1CCCC1	1605898256	QMKCPBAGLBYHTP-NSHDSACASA-N	313.423	1.173	50	20	DDGD	
O=C(NNc1cccc(F)c1C(=O)O)c1ccc([N+](=O)[O-])cn1	1608483188	UBGHQMXRZHDUNS-UHFFFAOYSA-N	320.236	1.584	50	20	DDGD	
O=C1CCC[C@H](CC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)N1	1610883145	WGAQQMADNTZOMJ-MRVPVSSYSA-N	322.273	1.257	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@@H]1C(=O)NN=Cc1cscn1	1549308518	HYNFXMXRLULTOM-RYUDHWBXSA-N	319.390	1.495	50	20	DDGD	
O=C(NC[C@@H]1CCCNC1)NNc1ccc(C(=O)O)cc1F	1610691839	QTFBBEJZYXHGKZ-SECBINFHSA-N	310.329	1.150	50	20	DDGD	
Cn1nccc1CCC(=O)NNc1ccc(C(=O)O)c(F)c1	1610616604	YYALOHHVBLWOBU-UHFFFAOYSA-N	306.297	1.333	50	20	DDGD	
Cc1cc(C(=O)NN=C[C@H]2CCCO[C@H]2c2cnn(C)c2)n[nH]1	1552448415	DEGZDYOFTVSAPN-BXUZGUMPSA-N	316.365	1.335	50	20	DDGD	
CO[C@@H]1C[C@H](C(=O)N2CCCC2)N(C[C@H]2[C@@H](Cl)[C@@H]2C)C1	1550633458	RHJPNYJDZXJCAD-KSTCHIGDSA-N	300.830	1.571	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCc2cc(N)cc(F)c2)c1	1579832371	FCWFBZLZFPYSCD-UHFFFAOYSA-N	322.365	1.922	50	20	DDGD	
CCCC[C@@H](N)C(=O)NNc1cccc(Br)n1	1577410747	ZZFUHGLDASYGNB-MRVPVSSYSA-N	301.188	1.805	50	20	DDGD	
Cc1c(NNC(=O)N[C@H]2CC[C@H](N)CC2)cccc1[N+](=O)[O-]	1579541506	ZVHKNYZUSNVMBS-XYPYZODXSA-N	307.354	1.799	50	20	DDGD	
CCC[C@@](C)(N)C(=O)NNC(=S)Nc1ccccc1OC	1577328090	DYKZUKUOHIBPCO-CQSZACIVSA-N	310.423	1.530	50	20	DDGD	
O=C(C(Cl)Cl)N1CC2(CCCN2C(=O)[C@@H]2CCCO2)C1	1846148373	KUGWFZJKHSLSSV-VIFPVBQESA-N	321.204	1.173	50	20	DDGD	
O=C(c1cccnc1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843362659	DTLXWBYOMSFAJZ-LLVKDONJSA-N	311.744	1.433	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1c[nH]nc1C)C2	1845165768	GJMGSEAYSJQJQO-LBPRGKRZSA-N	324.812	1.553	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1ccc(F)c(F)c1F	1595261535	DJBBYQGXEGNTBT-UHFFFAOYSA-N	311.219	1.954	50	20	DDGD	
CC(C)N1C(=O)CC[C@H]1C(=O)NNc1cccc(C(=O)O)c1	1591605613	SESNZQYDWHXYPB-LBPRGKRZSA-N	305.334	1.227	50	20	DDGD	
C[C@@H]1CCN(C(=O)/C(C#N)=C/c2cnn(C)c2)[C@H](C(=O)O)C1	1594396663	ZWPVOLISNVIKBF-BNYPUEPVSA-N	302.334	1.039	50	20	DDGD	
COCCC(C)(C)C(=O)NNc1cccc(-c2nn[nH]n2)c1	1591397641	PGHVBFKYMBTNKT-UHFFFAOYSA-N	304.354	1.373	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCC(=O)c1ccc(-c2nn[nH]n2)cc1	1592662419	FDCGVUMZEHQMQI-NTUHNPAUSA-N	323.312	1.453	50	20	DDGD	
COc1ccc(C(=O)NNc2cccc(C(=O)O)c2C)nn1	1599484334	VUHBSRRRBWNJOR-UHFFFAOYSA-N	302.290	1.249	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NN=C1CCCc2ncc(C(=O)O)cc21	1776101874	BFXFZDAFHVTWEL-RISCZKNCSA-N	317.345	1.361	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2csc(C(=O)O)c2)cc1	1776101736	VYFNPXQSCCMDAG-UHFFFAOYSA-N	318.310	1.908	50	20	DDGD	
O=C(NCCc1cccs1)NN=Cc1ccc(C(=O)O)nc1	1776039414	UDMIJTXXDRMHHH-UHFFFAOYSA-N	318.358	1.717	50	20	DDGD	
CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2	1795531760	YPYOGFYGHLLQPY-WRWGMCAJSA-N	302.802	1.024	50	20	DDGD	
CC(=O)N(C)CC(=O)NNc1ccc(F)cc1Br	153717898	ZCADONPMHQYDIC-UHFFFAOYSA-N	318.146	1.510	50	20	DDGD	
CC(C)(C)S(=O)(=O)CC(=O)NNc1cccnc1Cl	159303030	MXQWBMIGOUOGMN-UHFFFAOYSA-N	305.787	1.391	50	20	DDGD	
COc1ccc(OC)c(C(=O)NNC(=O)c2ccccc2F)c1	7525961	WERZBDGNPPPQRC-UHFFFAOYSA-N	318.304	1.918	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1cc(C(F)(F)F)ccc1C	176674143	MTRLGMUNBPMEFB-UHFFFAOYSA-N	312.269	1.563	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)cn1	117679743	MVCAGBMPSJGPPL-UHFFFAOYSA-N	312.251	1.514	50	20	DDGD	
N#CC1(C(=O)NNC(=O)Cc2ccccc2F)CCCCC1	108974330	XSMVTWNAUJEEAM-UHFFFAOYSA-N	303.337	1.990	50	20	DDGD	
CNC(=O)NNC(=O)CCCc1nc(-c2ccc(F)cc2)no1	56377255	DTZZOVREBRFCRZ-UHFFFAOYSA-N	321.312	1.159	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCN(C)c2ccccc21	111303118	SKWNVMNISLDILQ-CYBMUJFWSA-N	318.421	1.525	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F	116181047	OTVQRPZVMGHDHT-VHSXEESVSA-N	309.316	1.809	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CC1(O)CCCCC1	174734607	BBEBUUUWBRXUHP-UHFFFAOYSA-N	306.362	1.542	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CCCNC(=O)c1ccc(F)cc1	63265407	RZWBLMPLPNTEHE-UHFFFAOYSA-N	324.356	1.075	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1ccc(C(F)(F)F)nc1	26154763	RJLMFOMNAKUXQA-UHFFFAOYSA-N	310.235	1.570	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1Cl	117973287	UXQCIKARDPWQCA-UHFFFAOYSA-N	323.696	1.355	50	20	DDGD	
Cc1[nH]c2ccccc2c1CC(=O)NNC(=O)c1cnn(C)c1	117682589	UNMKDJPROJOUDZ-UHFFFAOYSA-N	311.345	1.214	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)c1)N[C@@H]1CCCOCC1	181759906	JLIRYOKGTVGILL-GFCCVEGCSA-N	311.769	1.853	50	20	DDGD	
Cc1n[nH]c(SCC(=O)NNc2cccc([N+](=O)[O-])c2)n1	178830751	AJPVEVSCSVVZRH-UHFFFAOYSA-N	308.323	1.257	50	20	DDGD	
N#Cc1cccc(NNC(=O)NCCCO[C@H]2CCOC2)c1	127687241	JFIWRNCDCPVBLB-AWEZNQCLSA-N	304.350	1.380	50	20	DDGD	
O=C(NNS(=O)(=O)CCC1CC1)c1c[nH]c2ccccc12	129945384	KITSESLUFDOUFN-UHFFFAOYSA-N	307.375	1.532	50	20	DDGD	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NN(C)C(N)=O	182638473	CEFVNICMMFERDX-MRVPVSSYSA-N	303.284	1.926	50	20	DDGD	
COc1cc(C)c(NC(=O)NNC(=O)c2cc(C)n[nH]2)cc1F	186820930	KWYGLQTVONSDJZ-UHFFFAOYSA-N	321.312	1.641	50	20	DDGD	
Cc1n[nH]c(SCC(=O)NNc2ccc3ccccc3n2)n1	181134203	XGHLNMXUIHFKPV-UHFFFAOYSA-N	314.374	1.897	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	125837586	BEXLJGPZQLVMQS-ZETCQYMHSA-N	315.713	1.891	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1cnn(C(C)(C)C)c1	186244870	ZJJVRBVRCLFHNS-UHFFFAOYSA-N	304.354	1.443	50	20	DDGD	
CCS(=O)(=O)CCNC(=O)NNc1c(F)cccc1Cl	184281074	GYGZNCXZERHDKW-UHFFFAOYSA-N	323.777	1.540	50	20	DDGD	
CCOc1ccc(C(=O)NNc2ncc(F)cn2)cc1OC	122512988	WSLWPCHDFFXFDC-UHFFFAOYSA-N	306.297	1.780	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)C(=O)Nc1cc(F)cc(Cl)c1	123187174	OPWJYCGTSDZKEO-UHFFFAOYSA-N	324.699	1.207	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCO[C@@](C)(c2ccccc2)C1	121230852	OMXUHEWVHFHJND-SUMWQHHRSA-N	319.405	1.180	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CC[C@@H](N2CCCC2)C1	188375420	ULKHTNILIJTZQH-RBFDBLARSA-N	311.385	1.996	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2ccc(F)cc2)nc1	124303455	SGFGFIALRYPGHL-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C2(C#N)CCC2)c(C)c1	76989728	UKVCRJFUUGRALT-UHFFFAOYSA-N	300.362	1.557	50	20	DDGD	
O=C(CN1CCC[C@H]1c1ccncc1)NNC(=O)c1ccccc1	180197042	BNTYDCYNLHEZJB-INIZCTEOSA-N	324.384	1.680	50	20	DDGD	
COc1ccc(OC)c([C@H]2C[C@H]2C(=O)NNc2cccnn2)c1	187876947	PDGGXDMEXULHHM-DGCLKSJQSA-N	314.345	1.741	50	20	DDGD	
CSCCCNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	136760573	AHTJFILMLSUHJG-QPEQYQDCSA-N	302.403	1.981	50	20	DDGD	
CCc1ccnc(C(=O)NNC(=O)c2c(C)nc3ccccn23)c1	181703434	JBHAUEFTMBTDFC-UHFFFAOYSA-N	323.356	1.675	50	20	DDGD	
C#CCOCCC(=O)NNC(=O)c1cccc(OC(F)F)c1	130379167	JXMNHTUOOMLHGT-UHFFFAOYSA-N	312.272	1.089	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)n(C)c1	136052511	IGPNHJJQSMSNNF-UHFFFAOYSA-N	317.320	1.371	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2c(C)noc2C)c(O)c1	80387796	FWSCZEWEGLRMJG-UHFFFAOYSA-N	303.318	1.309	50	20	DDGD	
COCCN(C)c1ccc(/C=C(\C#N)C(=O)NCC(C)C)cn1	190253445	CVBGPDVKWHFSTJ-OQLLNIDSSA-N	316.405	1.843	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1c[nH]nc1C1CC1	190469342	JQCMWADPKLMDMG-UHFFFAOYSA-N	314.345	1.265	50	20	DDGD	
O=C(CCCNC(=O)NNc1cccc([N+](=O)[O-])c1)NC1CC1	194116801	BSEGKSCNKZSLBE-UHFFFAOYSA-N	321.337	1.280	50	20	DDGD	
CCO[C@@H](C(=O)NNc1nccc(OC)n1)c1ccccc1	194327454	KRXLMVLWQSNONR-CYBMUJFWSA-N	302.334	1.706	50	20	DDGD	
CC(C)(C)c1ccc(NC(=O)C(=O)NNc2cccnn2)cc1	190363654	LYVOMSRGGKNQHA-UHFFFAOYSA-N	313.361	1.856	50	20	DDGD	
Cc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)NCc1ccco1	194490380	NDJMIVQLRDARAL-UHFFFAOYSA-N	318.289	1.640	50	20	DDGD	
N#Cc1cccc(S(=O)(=O)NNC(=O)NC2CCCCC2)c1	192734968	YKHYBDPKCIJUHG-UHFFFAOYSA-N	322.390	1.383	50	20	DDGD	
COCCCC(=O)NNC(=O)c1ccc(Br)cc1	97363850	OQDRQTBSJFPAKI-UHFFFAOYSA-N	315.167	1.637	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=Cc1ccc(O)cc1O	254293371	RJBPHGKLVYFHLS-UHFFFAOYSA-N	311.297	1.499	50	20	DDGD	
Cn1cc(CCC(=O)NN=c2sc3ccccc3n2C)cn1	255420092	RTYCIMIQWYDASE-UHFFFAOYSA-N	315.402	1.538	50	20	DDGD	
C[C@H]1CCCC[C@@H]1NC(=O)NNc1nc(O)c2cnn(C)c2n1	269288467	CNQHHQLJECYNSD-WPRPVWTQSA-N	319.369	1.274	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2ccc(Cl)nc2)CN1C1CC1	267873686	MISZWDHNWRRZIC-GXSJLCMTSA-N	309.801	1.986	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	268120091	BIDWPBUJDQQLPB-ZETCQYMHSA-N	315.713	1.891	50	20	DDGD	
CN(CCCNC(=O)NNC(=O)C1CCC1)c1ccccc1	264768044	VMJUYKACHOWRPG-UHFFFAOYSA-N	304.394	1.643	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1c[nH]c(C)n1	264872527	RMPXLUPCKALDLZ-UHFFFAOYSA-N	302.334	1.121	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1ncnc2ccsc12	268985631	NYHZZUFWMNMGQQ-UHFFFAOYSA-N	309.351	1.271	50	20	DDGD	
O=C1[C@H](NS(=O)(=O)CCCCCl)CN1c1ccccc1	364211124	HETXVCALVFRLMJ-GFCCVEGCSA-N	316.810	1.340	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1C[C@]12CCOC2	363836283	OUXUKGOQUAZFTC-MMPTUQATSA-N	322.336	1.167	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1	275477077	IRFUHEWEXHEAEV-GXTWGEPZSA-N	308.382	1.081	50	20	DDGD	
COc1ccnc(NNC(=O)C[C@H]2CCO[C@H](C(C)C)C2)n1	272971349	JIKDJLWJWAVMFK-RYUDHWBXSA-N	308.382	1.770	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1cccc(F)c1F	273509396	SSEQMCKLYGYWJJ-QMMMGPOBSA-N	317.292	1.169	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cccnc1N1CCOCC1	276677585	DYWYLLUSUKICPT-UHFFFAOYSA-N	313.361	1.379	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2CCCN2C2CC2)cc1	279692564	IHBHUGDHIHALRS-HNNXBMFYSA-N	301.390	1.637	50	20	DDGD	
CCc1ccc(NC(=O)NNC(=O)[C@@H](C)OCCOC)cc1	272286077	AOQUDTNSNONEBZ-LLVKDONJSA-N	309.366	1.453	50	20	DDGD	
CNC(=O)NNC(=O)Cc1ccc(Br)cc1C	272480556	UYEXNKBMIHRDNH-UHFFFAOYSA-N	300.156	1.260	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CCC[C@H]1CCO	275346370	IRFTWLBDJRVSJJ-GXTWGEPZSA-N	305.378	1.490	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NCCCC#N	273213746	JZQYGRCXJFURAA-SNVBAGLBSA-N	308.313	1.227	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2CC(C)(C)OC2(C)C)n1	272530481	FLCRBVIOHPGCGR-VIFPVBQESA-N	309.370	1.457	50	20	DDGD	
O=C(NNS(=O)(=O)C1=Cc2ccccc2OCC1)C1CCC1	274749928	NUQIZOVGSAMHDZ-UHFFFAOYSA-N	322.386	1.561	50	20	DDGD	
Cn1cc2c(n1)CCC[C@H]2C(=O)NNC(=O)c1ccccc1O	373019524	HLVWGTIFRLHYQQ-SNVBAGLBSA-N	314.345	1.007	50	20	DDGD	
CCCCN(C)c1ccc(NC(=O)C(=O)NNC(=O)OC)cc1	274264300	YALBRTPZAVMMLB-UHFFFAOYSA-N	322.365	1.249	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1cc(Cl)c(Cl)cc1F	281391245	UYSRNGXFHGNSMH-UHFFFAOYSA-N	323.155	1.847	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)CCc2ccc(OC)cc2)C1	286738070	QGTUFOHFZTZXKV-UHFFFAOYSA-N	320.389	1.590	50	20	DDGD	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1cccc(C(F)(F)F)n1	287685224	PVHZPEBLVSYXAK-JGVFFNPUSA-N	317.267	1.743	50	20	DDGD	
CCCNC(=O)/C(C#N)=C\c1ccc(O[C@@H](C)C(=O)O)cc1	285442556	PPVBIPAJHAJXBY-KWJWQAOWSA-N	302.330	1.972	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)C2CCC2)c(C(F)(F)F)n1	280587101	IAHRIUGJHUFDNO-UHFFFAOYSA-N	304.272	1.483	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(C)(C)COCc1ccccc1	282834046	UZDMGJBPHLAATA-UHFFFAOYSA-N	307.394	1.922	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1C	288629476	KCCGQXBQYBKMFJ-GHMZBOCLSA-N	307.306	1.546	50	20	DDGD	
COCCN(C)NC(=O)CCc1nnc(-c2ccccc2)o1	288394860	KBMHXKZOGHHCPU-UHFFFAOYSA-N	304.350	1.279	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1	288531452	OHJHAZJUQDCUBV-HNNXBMFYSA-N	309.385	1.400	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2[C@@H]3CCC[C@@H]23)cc1C	281345545	VCIKEMVXWONHBT-CHWSQXEVSA-N	315.373	1.435	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802119956	GNHJODWKMAKDHT-UHFFFAOYSA-N	316.365	1.436	50	20	DDGD	
CC#CCCCC(=O)NNc1ccccc1S(=O)(=O)N(C)C	294462263	ALBPPXWOPNBVDB-UHFFFAOYSA-N	323.418	1.574	50	20	DDGD	
COc1ccc([C@@H](C)CC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	295581427	OIHBJKCERVAGLU-WFASDCNBSA-N	320.389	1.905	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)NC2CCCCC2)c1C1CC1	299418647	UPQNHKHMZNMKGQ-UHFFFAOYSA-N	305.382	1.574	50	20	DDGD	
CCc1nc(C)c(C(=O)NNc2nccc(N(CC)CC)n2)o1	294824206	CYXPXFOBZKGNAW-UHFFFAOYSA-N	318.381	1.939	50	20	DDGD	
Cc1cc(C)nc(C(=O)NNC(=O)c2cccc(N(C)C)c2)c1	800797904	AVMGAWLPLGRCHQ-UHFFFAOYSA-N	312.373	1.839	50	20	DDGD	
CCCCOCCNC(=O)NNC(=O)Cc1ccccc1OC	299494982	JFCBFPDVFLTXBF-UHFFFAOYSA-N	323.393	1.385	50	20	DDGD	
O=C(NNC(=O)c1cscn1)Nc1ccc2c(c1)OCO2	802103421	BZBQHGBVUHKUSS-UHFFFAOYSA-N	306.303	1.338	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Cc2c(F)cccc2Cl)O1	294064202	BFOZUUNMZGFFFX-UFBFGSQYSA-N	314.744	1.737	50	20	DDGD	
C[C@@H](CCN(C)C)NC(=O)NNC(=O)c1cccc(Cl)c1	299375034	NMMKVFOKZSVKSL-JTQLQIEISA-N	312.801	1.624	50	20	DDGD	
CCc1nc(C(C)C)ccc1C(=O)NNC(=O)C(=O)NC(C)C	292633290	BCEHQYJMNOZXCH-UHFFFAOYSA-N	320.393	1.053	50	20	DDGD	
Cn1c(NNC(=O)[C@H](F)C(F)(F)F)nc2ccccc2c1=O	291254666	KCJWYVJRSOJZES-QMMMGPOBSA-N	318.230	1.277	50	20	DDGD	
O=C(Cc1c[nH]c2ncccc12)NNC(=O)Nc1ccccc1	801986079	WGOKDHFIKDVTML-UHFFFAOYSA-N	309.329	1.958	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)NNc1cccc(Cl)n1	293825997	ZVYNWXLQGJECIV-UHFFFAOYSA-N	305.787	1.249	50	20	DDGD	
O=C1CCCC[C@H](C(=O)NNc2cc(C(F)(F)F)ccn2)N1	295439343	VOWCXGQHOSFTLO-SECBINFHSA-N	316.283	1.602	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)N[C@H]1CC[C@H](O)CC1	807019660	IPYSQYBIHRRBHR-AULYBMBSSA-N	316.361	1.458	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1cc(C2CC2)on1	804956772	YAEFLROUZBMUCS-UHFFFAOYSA-N	311.305	1.285	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccccc1OC1CC1	805724296	DTKXQIHJUFVNHL-JTQLQIEISA-N	320.345	1.331	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@H]2CCN(C)C2=O)c(Cl)c1	802049255	DAELDGCZYJMURQ-SECBINFHSA-N	324.768	1.279	50	20	DDGD	
COC(=O)c1nc2nc(C)cc(NCCSSC)n2n1	804700245	WBGXCZWXMLZVGL-UHFFFAOYSA-N	313.408	1.642	50	20	DDGD	
COCc1cnc(NC(=O)C(=O)NNc2ccc(F)cc2)s1	806967741	NGIXWPBBXMMINA-UHFFFAOYSA-N	324.337	1.510	50	20	DDGD	
CC(C)[C@H]1CC(=NNC(=O)Cc2cc(O)nc(O)n2)CS1	814860164	MGZAMDYFBXTMCG-SNVBAGLBSA-N	310.379	1.064	50	20	DDGD	
Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NN(C)C1CC1	819647272	KPKBMJXWRNLMKZ-AWEZNQCLSA-N	318.356	1.030	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21	816971242	XTPUPTJJCFKAKK-WCBMZHEXSA-N	302.338	1.018	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=C1C(=O)Nc2c(F)ccc(Cl)c21	814954071	VGNPUAWLDFSAMU-UHFFFAOYSA-N	321.699	1.217	50	20	DDGD	
CCOc1ccc(NNC(=O)C(=O)Nc2ccc(F)nc2)cc1	815815410	ZOPVEVIQTFYPAC-UHFFFAOYSA-N	318.308	1.701	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)c2ccc(OC)cc2OC)C1	819807202	BCJUMYJRTCPQNP-UHFFFAOYSA-N	320.345	1.763	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1cccc(C(F)(F)F)c1	816916595	LIHOOIUQVKYRNG-NXEZZACHSA-N	301.268	1.660	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)c1ccc2oc(O)nc2n1	816814581	WIPGNHLUDOQJGJ-UHFFFAOYSA-N	316.248	1.142	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@H]2CCCC[C@@H]2C)c1O	819845298	FWZOWPPORZUUSA-QWRGUYRKSA-N	306.362	1.988	50	20	DDGD	
O=C(COCCOc1ccccc1)NNc1ncncc1F	817082808	MKVLXXJAWSPYMF-UHFFFAOYSA-N	306.297	1.154	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2cccc([N+](=O)[O-])c2)c[nH]1	815850614	UMROTUFNMNKVBB-UHFFFAOYSA-N	304.262	1.466	50	20	DDGD	
CC(CCc1ccc(OCC(=O)O)cc1)=NNC(=O)C(F)F	814902104	FDYNTCDGZMZHCW-UHFFFAOYSA-N	314.288	1.840	50	20	DDGD	
COc1ncc(C=NNC(=O)c2c(C)nc3ccccn23)s1	812222951	VHSLWLLBDTYTPF-UHFFFAOYSA-N	315.358	1.872	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1	823965506	NYUIKLNMBLZSPK-HOCLYGCPSA-N	305.422	1.242	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C1CC=CC1	494042877	CEIMLVZXMGSQFL-UHFFFAOYSA-N	311.382	1.405	50	20	DDGD	
O=C(NNC(=O)c1cccc2c1CCOC2)OCC(F)(F)F	825519996	QSGLHHZVXCNNPI-UHFFFAOYSA-N	318.251	1.693	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)CC2(O)CCC2)o1	822758345	YGDQGQQOFMPYCD-UHFFFAOYSA-N	323.393	1.188	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C1CCO[C@H]1C	496152703	QRSKIFQYPDUUSV-JQWIXIFHSA-N	309.366	1.184	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)n1	822208987	POJCXUSABBCDNF-JTNHKYCSSA-N	306.410	1.720	50	20	DDGD	
Cc1ccc(-n2ncc(C(=O)NN(C)[C@H](C)CO)c2C)cc1	823977089	OATYRZHGNKHAFM-GFCCVEGCSA-N	302.378	1.447	50	20	DDGD	
COC(=O)NCCNC(=O)NNc1ccc(Cl)cc1Cl	496659846	DDAMEGYTTIVLPW-UHFFFAOYSA-N	321.164	1.976	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCc1ccc(F)cc1	825518104	GAGVEHTWSNJYCM-GWCFXTLKSA-N	309.341	1.124	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1	823952617	SCYPXUDRTNPUGI-GFCCVEGCSA-N	321.421	1.420	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1C[C@@]1(C)c1ccccc1	826076002	KKOSOJLGOOTFRC-DPYKFYPSSA-N	317.389	1.472	50	20	DDGD	
C[C@H](O)C[C@H]1CCCCN1C(=O)/C(C#N)=C\c1cnn(C)c1	490975893	QEPDMOSJBRWDNI-IWUUUCQESA-N	302.378	1.479	50	20	DDGD	
CSCC[C@H](O)C(=O)NNC(=O)c1ccc2ccccc2c1	822596149	OQHQVLGEFDJRAH-AWEZNQCLSA-N	318.398	1.715	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@@H]2CC(C)=NO2)o1	823595108	CDDYEJBZLAFDFG-ZDUSSCGKSA-N	322.365	1.047	50	20	DDGD	
Cc1nc(CNC(=O)NNC(=O)c2ccc[nH]2)nc2ccccc12	726714524	FCCUGDLMHWLPSH-UHFFFAOYSA-N	324.344	1.411	50	20	DDGD	
COCC[C@@H](NCc1ccc(B(O)O)o1)c1ccc(Cl)cc1	585027952	BOFFNCMESCHTKH-CQSZACIVSA-N	323.585	1.480	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H]2CCN(c3ccccc3)C2)n1	822450848	SATNJAWFPCSPIJ-GFCCVEGCSA-N	313.361	1.455	50	20	DDGD	
Cc1ccc([C@H]2CCN(C(=O)c3cccc(B(O)O)c3)C2)c(C)c1	584986242	XGXJMBOMSGEFHN-INIZCTEOSA-N	323.201	1.613	50	20	DDGD	
Cc1nnc(CNC(=O)[C@]2(C)C[C@@H]2Br)n1C1CC1	907240993	VRIUIOJFRCDUIV-JOYOIKCWSA-N	313.199	1.711	50	20	DDGD	
C#CCN(Cc1ccccc1)[C@H](C)C(=O)NNC(=O)CC(C)C	491380894	BLQYFBDROGCPEW-OAHLLOKOSA-N	315.417	1.704	50	20	DDGD	
CN[C@@H](CC(C)(C)C)C(=O)NNc1nc(-c2ccncc2)no1	828218137	YOKBXWBKSDKFFN-NSHDSACASA-N	318.381	1.599	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@]1(C(=O)O)CCSC1	909349076	WRTYQVQBDCHOFQ-RDDDGLTNSA-N	324.240	1.873	50	20	DDGD	
CC(=NNC(=O)c1cnn(-c2ccccc2)c1)c1cnn(C)c1	733078856	XCVLPMLFGFPZFK-UHFFFAOYSA-N	308.345	1.760	50	20	DDGD	
O=C(NC[C@H]1CCc2ccccc2C1)NNC(=O)C1CCC1	735325016	HPUWSWPUDIUVCC-LBPRGKRZSA-N	301.390	1.922	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1cc(C)c(F)cc1F	901965370	DUAMLAVMAOOFKZ-UHFFFAOYSA-N	316.329	1.386	50	20	DDGD	
N#C/C(=C/c1ccccc1OCCC(=O)O)C(=O)NC1CC1	901419624	FIFNMCVCRKSJLA-XFXZXTDPSA-N	300.314	1.726	50	20	DDGD	
C[C@@H](NCc1ccc(B(O)O)cc1)c1nc2c(s1)CCCC2	585025528	WKVDVSAAFZXUGE-LLVKDONJSA-N	316.235	1.553	50	20	DDGD	
CCC[C@H](C)C(=O)NCCNC(=O)NNC(=O)OC(C)(C)C	497023808	XFTZWSRQVIBMTB-JTQLQIEISA-N	316.402	1.278	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(C)[C@H](c1ccccc1)c1nc[nH]n1	909483120	XXMGKOCYJNRAIN-QLKUMGTLSA-N	311.345	1.796	50	20	DDGD	
CN1C[C@H](N(C)C(=O)[C@@]2(C)C[C@@H]2Br)CCC1=O	908369796	FVZYUSRGXYSZRN-PTRXPTGYSA-N	303.200	1.239	50	20	DDGD	
COc1cccc(CCCNCc2ccc(B(O)O)cc2F)c1	585023734	LLMWEDLVYPHJPL-UHFFFAOYSA-N	317.169	1.237	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cccc2ccn(C)c12	831715894	BWKOQXPUWOGDAV-CMPLNLGQSA-N	316.361	1.756	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)c1ccc2c(c1)OCO2	739676387	VIFQYCCCHXFTOL-UHFFFAOYSA-N	303.274	1.041	50	20	DDGD	
COc1cc(C)c(C(C)=NNC(=O)c2ncon2)cc1OC	901290499	VVGYFVXQYJOGSP-UHFFFAOYSA-N	304.306	1.549	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc(CCC(=O)O)cc1	833422024	RMVMIYBWJUVJLA-UHFFFAOYSA-N	307.350	1.903	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCCCO[C@@H]2CCCCO2)cn1	834833162	WVGUQHAGJKOBGL-AAWPKVBNSA-N	318.377	1.377	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1	830816201	MJUWQFMQOGAQSO-YPUOHESYSA-N	319.283	1.100	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@@H](c1ccccc1)N1CCCC1	584909272	BWTDBRHXDFYVML-QGZVFWFLSA-N	324.189	1.142	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	839709184	NXEZDPUGKSFLIS-PSASIEDQSA-N	314.139	1.866	50	20	DDGD	
Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc(B(O)O)cc3)C2)cc1	584982314	GOWMTOZXXFNVFH-PBHICJAKSA-N	323.201	1.693	50	20	DDGD	
CC[C@H](C)OCc1ccc(NCc2ccc(B(O)O)o2)cc1	585013606	XUXKLLHIODHWKA-LBPRGKRZSA-N	303.167	1.887	50	20	DDGD	
CC(C)(C)[C@@H](CC(F)(F)F)NCc1ccccc1B(O)O	585033677	AJMYQGZWXMKQAJ-GFCCVEGCSA-N	303.133	1.823	50	20	DDGD	
CO[C@@H](C1CC1)[C@@H](C)NC(=O)NNC(=O)c1ccccc1F	836429344	QHLOHHUPSYRKHK-NOZJJQNGSA-N	309.341	1.583	50	20	DDGD	
CCN(CC)CCOc1ccc(NC(=O)NNC(=O)O)cc1	737086294	JORFPJOUNDJCJF-UHFFFAOYSA-N	310.354	1.711	50	20	DDGD	
C[C@H](N(C)CC(=O)NNC(=O)c1ccc(F)cc1)C(C)(C)C	839462675	OUOQZKJCMHOZPS-NSHDSACASA-N	309.385	1.953	50	20	DDGD	
Cc1nccn1C[C@@H](C)CNC(=O)NNC(=O)CC(F)(F)F	749195932	GQEOOGKUPCEAAC-QMMMGPOBSA-N	321.303	1.110	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@@H](C)NC(=O)C(C)(C)C)o1	746522512	QMAFBJSLFRMTIS-SECBINFHSA-N	321.381	1.664	50	20	DDGD	
NC(=O)Nc1ccc(C(=O)NNc2cccc([N+](=O)[O-])c2)cc1	747996157	YXVCSFRXIYHTNF-UHFFFAOYSA-N	315.289	1.842	50	20	DDGD	
Cc1n[nH]c(C)c1C=NNC(=O)Cn1c(C)nc2ccccc21	915945277	YYUVPWJLEWMXJE-UHFFFAOYSA-N	310.361	1.835	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCC1CCNCC1	846209301	CQCLJILPLWVYAM-UHFFFAOYSA-N	304.394	1.329	50	20	DDGD	
CC(=O)Nc1ccc(O)c(C(C)=NNC(=O)[C@@H]2CCO[C@@H]2C)c1	842554638	KGAHEAOYLZFUCC-ZWNOBZJWSA-N	319.361	1.616	50	20	DDGD	
Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1ncccn1	746095137	ZMSXQYSKMOOBGT-UHFFFAOYSA-N	320.736	1.278	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1ccc(-n2cnnn2)cc1)CC(C)C	841613382	ZZHBQDJGGLHBGF-CQSZACIVSA-N	316.365	1.439	50	20	DDGD	
O=C(CNC(=O)C1CC1)NNc1ccc(Cl)cc1[N+](=O)[O-]	917215773	FFZGCGBLOAGBHN-UHFFFAOYSA-N	312.713	1.218	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNC(=O)CC(C)C)ccc1Cl	847503640	QPCZSCCSFPJMDY-UHFFFAOYSA-N	311.769	1.780	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cnc(-c3ccccc3)nc2)n[nH]1	917543615	UGRUBSFVVZCMGR-UHFFFAOYSA-N	320.356	1.868	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)Cc2ccc3c(c2)OCO3)n1	748336067	RTOGOWZCMPDCPO-UHFFFAOYSA-N	320.736	1.853	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1C	843654620	SERKSGYTHNCGDZ-NEPJUHHUSA-N	308.382	1.178	50	20	DDGD	
CO[C@H](C)C(=O)NNC(=O)c1ccc(OCCC(C)C)cc1	917561826	IEUOYEXUNPXCJF-GFCCVEGCSA-N	308.378	1.907	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)cc(OC)c1OC	842551730	DUVYITMRHVASQD-ZYHUDNBSSA-N	322.361	1.588	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NNC(=O)COCc1ccccc1	746284163	GRALXAZSKROMSQ-ZIAGYGMSSA-N	319.405	1.223	50	20	DDGD	
COC(=O)C12CC(C(=O)NNc3cc(F)c(F)c(F)c3)(C1)C2	843834130	CPJOTGFTZVVQHH-UHFFFAOYSA-N	314.263	1.890	50	20	DDGD	
CC[C@H](C)c1nc(C)c(CC(=O)NNC(=O)N(C)C)c(C)n1	847403370	VDONMGPOSQHYSW-VIFPVBQESA-N	307.398	1.452	50	20	DDGD	
CCc1cc(CNC(=O)NNC(=O)c2ccccc2C)on1	741271664	WNWVSPOLJGDLMF-UHFFFAOYSA-N	302.334	1.690	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)NCC2CC2)c(OC)c1	849258799	SLUJEDYCENFGLP-UHFFFAOYSA-N	309.391	1.223	50	20	DDGD	
CC1(C)Cc2cccc(C(=O)NNC(=O)c3ncccn3)c2O1	847087101	YOGIHQAAHLZRBC-UHFFFAOYSA-N	312.329	1.265	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=CC[C@@H]1CCCCC12OCCO2	842557338	DGXGTUXILDVARA-IHRRRGAJSA-N	310.394	1.837	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1c(Cl)nc2ccccn12	842556943	OLNHTTGRCADDIA-ZJUUUORDSA-N	306.753	1.863	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNc1nnc(C)c(O)n1	749186458	NGZRPEMGMOIASD-BDAKNGLRSA-N	305.363	1.502	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccnc(SC)c2)n1	746632215	BPYNNGFYHINLGM-UHFFFAOYSA-N	305.363	1.667	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H](C)CN2CCCCCC2)n(C)n1	841615263	WQMRZDPKQLNHLK-CYBMUJFWSA-N	305.426	1.691	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)Nc1cccc(NC(=O)NN(C)C)c1	843870589	KFBFIRNBGKIJII-SNVBAGLBSA-N	321.381	1.138	50	20	DDGD	
CCOCCOCCNC(=O)NNC(=O)c1ccc(CC)cc1	927527441	QRMNZDDQNRJGAR-UHFFFAOYSA-N	323.393	1.246	50	20	DDGD	
CCN(C)C(=O)[C@H](C)NC(=O)NC[C@@]1(C)C[C@H]1Br	856851371	FFZLWAKNJLXDHN-YGOYTEALSA-N	320.231	1.326	50	20	DDGD	
CC(C)c1ccc(C2(O)CCC(=NNC(=O)C(N)=O)CC2)cc1	753921214	CTEUVNDXQNFOTJ-UHFFFAOYSA-N	317.389	1.529	50	20	DDGD	
CC1(C)OC[C@@H](CNC(=O)NNc2c(F)cc(F)cc2F)O1	921895450	GEKNEHKNYAHVPN-MRVPVSSYSA-N	319.283	1.882	50	20	DDGD	
CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)NNc1ccc(C)nn1	852691396	GYVTUODVFDUHMY-ABAIWWIYSA-N	321.381	1.533	50	20	DDGD	
Cn1nc(C2CC2)cc1C(=O)NNC(=O)NC1CCCCC1	929246844	UUZTWQCAKOLPME-UHFFFAOYSA-N	305.382	1.574	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1ccc(C)cc1OCC	757259165	MIIXYUJGWGSDJM-UHFFFAOYSA-N	309.366	1.261	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=Cc1nccn1CC	755509153	SDTJDOWFWQGHLX-UHFFFAOYSA-N	300.362	1.995	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccc(F)cc2)c(O)n1	755348204	KCKKFGSEICFFIF-UHFFFAOYSA-N	304.281	1.317	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CCCCC1	858334715	QWECMHULQLBHEL-GFCCVEGCSA-N	324.425	1.202	50	20	DDGD	
C[C@]1(CNC(=O)NCCCNC2CC2)C[C@H]1Br	857104419	UDURCWAYIWFMAV-ZYHUDNBSSA-N	304.232	1.601	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCCC(=O)c1ccc(OC)cc1	854925777	MJPUEDWNDSOYLG-UHFFFAOYSA-N	323.418	1.516	50	20	DDGD	
O=C(NN=Cc1ccc(O)c(F)c1)C(=O)Nc1ccccn1	755770245	WZDWVYLXMRBSAQ-UHFFFAOYSA-N	302.265	1.015	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1csc(C=O)c1	854386200	LRTAICAJOJDGJF-UHFFFAOYSA-N	314.363	1.111	50	20	DDGD	
CC(C)CC(=O)NNC(=S)Nc1ccc2c(c1)OCCO2	753806202	KIGDDSCMVJLNRP-UHFFFAOYSA-N	309.391	1.822	50	20	DDGD	
CSSCCNC(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1	852315868	YLHOKRQKRKSOEO-UWVGGRQHSA-N	303.453	1.308	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C)c1cn[nH]c1	853373311	USAGWSCHSRLKSM-CHWSQXEVSA-N	316.365	1.151	50	20	DDGD	
CCC(=O)N1CC[C@@H](NC(=O)NNc2ccc(Cl)cn2)C1	852208440	IFNZKAAMQLBNDO-SNVBAGLBSA-N	311.773	1.372	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cnn(-c2ccccc2F)c1C	757740418	MYBSSNZGOYPGHV-UHFFFAOYSA-N	321.312	1.119	50	20	DDGD	
CCOc1cnc(C(=O)NC[C@]2(C)C[C@@H]2Br)cn1	857390162	BXSQEGLDQIXCMU-CABZTGNLSA-N	314.183	1.779	50	20	DDGD	
O=C(Cc1ccc(F)cc1F)NNc1ncccc1[N+](=O)[O-]	759303373	JBDGLUULCPNXFB-UHFFFAOYSA-N	308.244	1.954	50	20	DDGD	
CC(C)c1cccc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1	853302456	COAGWPAMZHIIGX-LLVKDONJSA-N	311.407	1.198	50	20	DDGD	
CC(C)Oc1cc(CNC(=O)NNC(=O)C2CCCC2)ccn1	752697433	PFVTXADSIPBVKH-UHFFFAOYSA-N	320.393	1.889	50	20	DDGD	
O=C(NN=Cc1cc[nH]n1)c1ccc(NN=Cc2cc[nH]n2)cc1	755486413	KCFDIMZKRNELCK-UHFFFAOYSA-N	322.332	1.343	50	20	DDGD	
C[S@@](=O)CCN1CCN(/C(=C\C#N)c2ccccc2)CC1	755949110	GFVBFLBOGCLWKX-XYEKWKKTSA-N	303.431	1.547	50	20	DDGD	
COC1CCC(CC(=O)NNC(=O)c2cccc(F)n2)CC1	856423021	KKGCORSHCNZQHL-UHFFFAOYSA-N	309.341	1.577	50	20	DDGD	
O=C(Cc1ccc2c(c1)COC2)NNC(=O)CC1CCCC1	757948598	IWENGPQLIZBLOZ-UHFFFAOYSA-N	302.374	1.987	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNC(=S)NCC2CCC2)c1	855091623	XJORMCFQEWSCQL-UHFFFAOYSA-N	322.390	1.812	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(c2ccsc2C#N)CC1	855336078	IOZGJXDCLIMUBA-QXMHVHEDSA-N	316.386	1.712	50	20	DDGD	
CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)NNc1ccccn1	852692155	PGTRISHAUFPPPM-IAQYHMDHSA-N	306.366	1.830	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C[C@@H]1CCOc2ccccc21	752165712	MIULGVCAZBNWFZ-LBPRGKRZSA-N	317.389	1.960	50	20	DDGD	
C[C@@H]1CCCN(C(=O)/C(C#N)=C\c2cnn(C)c2)[C@H]1CCO	855540639	HRSZCMZFPQCXPB-LQOIGFFLSA-N	302.378	1.337	50	20	DDGD	
CN(NC(=O)c1nn(-c2cccc(Cl)c2)cc1O)C1CC1	854985897	ZQWRHGPFBOJYCR-UHFFFAOYSA-N	306.753	1.970	50	20	DDGD	
C[C@@H](CCNC(=O)NNC(=O)c1cn[nH]c1)c1ccccc1	858168068	MAHWUNGUDFCGJW-NSHDSACASA-N	301.350	1.548	50	20	DDGD	
COc1ccc(NC(=O)NNCC(F)(F)C(F)(F)F)cn1	860443667	AYWLXANITBXHJA-UHFFFAOYSA-N	314.214	1.914	50	20	DDGD	
COCCOCC(=O)NNC(=O)Cc1coc2cc(C)ccc12	869913895	OPHSFRSQTQUHCT-UHFFFAOYSA-N	320.345	1.094	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NN=c1cc[nH]c(C)c1	862515769	BTWFFYJBPVSDLA-LBPRGKRZSA-N	322.409	1.901	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2cccc(Cl)c2)n[nH]1	765583290	KGHXKHUCOPHZDE-UHFFFAOYSA-N	308.725	1.212	50	20	DDGD	
O=C(NNc1cccc(F)c1Cl)[C@@H]1CCCS1(=O)=O	862507507	GZPRWRRNRZRXTO-VIFPVBQESA-N	306.746	1.499	50	20	DDGD	
CC1(C)[C@]2(C(=O)NNc3nccnc3Cl)CC[C@@]1(C)C(=O)O2	863876900	MEMCSVFIGVBMQS-UONOGXRCSA-N	324.768	1.695	50	20	DDGD	
C[C@H](NNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C(F)(F)F	862318190	PZQIQGNQOOLYKK-BYPYZUCNSA-N	310.207	1.501	50	20	DDGD	
CCCn1nccc1NC(=O)COC(=O)/C(C#N)=C/C1CC1	869503492	FHBDIURWUJDZIF-XYOKQWHBSA-N	302.334	1.635	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1OC(F)F	863144998	DCKVBGGLIYXFMB-SNVBAGLBSA-N	311.288	1.407	50	20	DDGD	
CCOC(=O)N1CSC[C@@H]1C(=O)NNc1cccc(F)c1	935021182	RCLHVARKSUSLLS-LLVKDONJSA-N	313.354	1.800	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)NCCCOC)[C@@H](C)C1	761261065	LLWXNYSEOKLIHY-NWDGAFQWSA-N	313.398	1.677	50	20	DDGD	
CO[C@@H](CNS(=O)(=O)CC(C)(C)CCl)C(F)(F)F	866785877	IYBNIQYNXMOFOY-ZETCQYMHSA-N	311.753	1.748	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)Cc1cc[nH]n1	873853831	CRKCZVLNRYLJCH-UHFFFAOYSA-N	317.418	1.841	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC(C)(C)CCCO)cc1	1116463457	ARSFWHXQFDCQKA-UHFFFAOYSA-N	323.393	1.438	50	20	DDGD	
COCc1cccc(C(=O)NNc2nncc(N)c2Cl)c1	1116298718	XMZZZKWOVFQAKU-UHFFFAOYSA-N	307.741	1.616	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(N2CCCC2=O)cc1	878020238	JJUIRWIRFLZTKY-UHFFFAOYSA-N	306.322	1.548	50	20	DDGD	
CS(C)(=O)=Nc1ccccc1NC(=O)NNC(=O)C1CC1	879808631	GMWKPEHFKKOSCC-UHFFFAOYSA-N	310.379	1.608	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](c1ccc(OC)nc1)C1CC1	875933441	ONFXNLZAWBIRLN-GFCCVEGCSA-N	308.338	1.454	50	20	DDGD	
C[C@@](O)(CC(=O)NNC(=O)c1nc2ccccc2s1)C1CC1	874913236	ABSXUDPCSIMSGF-OAHLLOKOSA-N	319.386	1.608	50	20	DDGD	
CCc1cccnc1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	772235568	MFHAHTVAZWDICU-NSHDSACASA-N	321.377	1.383	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)N[C@H]1CC12CCC2	873257548	ITDCSYWSKCXCNQ-LBPRGKRZSA-N	305.334	1.044	50	20	DDGD	
CC[C@H](Cc1cccc(C)c1)C(=O)NNc1nnc(C)c(O)n1	878038232	DEIGEIILNWCZHI-CYBMUJFWSA-N	315.377	1.906	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)CC(F)(F)F)c1C1CC1	878345182	LXOWWWPLEMWZQQ-UHFFFAOYSA-N	304.272	1.494	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2cccc(O)c2O)c1	776313820	BDZFSOYAIZLUER-UHFFFAOYSA-N	315.329	1.239	50	20	DDGD	
COCc1ccc(NC(=O)C(=O)NNc2cccc(C#N)c2)cc1	773579271	UYFNXYVEMMINLH-UHFFFAOYSA-N	324.340	1.786	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@H](CC)c1ccc(F)cc1F	775449514	JKZMJCUDVIXLMB-NOZJJQNGSA-N	313.348	1.951	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@H](c1ccccc1)N(C)C	887148217	SMXSLTCMLCFGSB-OAHLLOKOSA-N	301.390	1.630	50	20	DDGD	
Cc1nc(CC(=O)NNC(=O)c2ccc(C)c(O)c2)c(C)s1	882048511	ANDYJIXMNNGNIK-UHFFFAOYSA-N	319.386	1.778	50	20	DDGD	
Cc1ccc2nc(CNS(=O)(=O)CCCCl)[nH]c2c1	881961121	SHJUQYXZLRRAJM-UHFFFAOYSA-N	301.799	1.920	50	20	DDGD	
C[C@]1(c2ccccc2)C[C@H]1NS(=O)(=O)CBr	782456284	YCCSCVZBMMQDGH-GHMZBOCLSA-N	304.209	1.988	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc2c(c1)N(C)CCO2	887147838	CZHYHGDJBJRVAY-UHFFFAOYSA-N	301.346	1.080	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Nc2cc(C)nn2C)c1	780017061	UTFFLDQAAJVHLB-UHFFFAOYSA-N	303.322	1.664	50	20	DDGD	
CC(C)(C)c1cnc(CCC(=O)NNC(=O)C2CCOCC2)o1	883068106	ICNOLKRBNCSHIF-UHFFFAOYSA-N	323.393	1.479	50	20	DDGD	
CCN(CC)C[C@H](C)NC(=O)NNc1cccc(C(=O)OC)c1	780826781	YRMQHLNZKNZSBU-LBPRGKRZSA-N	322.409	1.830	50	20	DDGD	
Cc1cnc(Cl)c(NC(=O)NNC(=O)c2cccn2C)c1	787446448	FZHODASONNQLAA-UHFFFAOYSA-N	307.741	1.848	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)[C@H]3CCC(C)(C)C3)nc21	781970895	SQNNGPZYHLCWRL-QMMMGPOBSA-N	304.354	1.338	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cnc2n1CCCCC2	899999655	RHMOIDOUNHDYLO-UHFFFAOYSA-N	309.439	1.517	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cc(=O)c2ccccc2o1	781837298	YVDQQJBYQYFZTI-UHFFFAOYSA-N	316.704	1.993	50	20	DDGD	
COc1cccc(NNC(=O)c2ccnc(-n3cccn3)c2)n1	780768462	QTSZITIOEPDUGF-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cn2c(n1)CCCC2	799717762	KPVOPUFSWXSXHF-UHFFFAOYSA-N	314.345	1.763	50	20	DDGD	
Cc1nc(/C=C\c2cnn(CCCl)c2)nc(O)c1CC(=O)O	794713796	OTYAPPODWMKJBD-IHWYPQMZSA-N	322.752	1.723	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2ccn(C)n2)c2ccccc2n1	799010106	QXNWTMOURGAUHQ-UHFFFAOYSA-N	323.356	1.280	50	20	DDGD	
N#CC[C@H](CC(=O)NNC(=O)Cc1ccncc1)c1ccccc1	793602081	OUTVFGXSJWWTCU-MRXNPFEDSA-N	322.368	1.859	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)CNc1ccc(C)cc1	794906451	KMVCAYFZJZDBEG-DOMZBBRYSA-N	307.394	1.615	50	20	DDGD	
C=C(CBr)COC(=O)CNC(=O)c1ccccn1	795519455	BLVBJCZOTZBOBD-UHFFFAOYSA-N	313.151	1.306	50	20	DDGD	
C=C(CBr)CN1CCN(CCC(=O)OC)C[C@H]1C	791493004	PEWMOVBAWYOWMO-GFCCVEGCSA-N	319.243	1.507	50	20	DDGD	
CC(C)(C)C(=O)C(=O)NNC(=O)c1cncn1-c1ccccc1	1319261748	UDJCFSGQVPBMJW-UHFFFAOYSA-N	314.345	1.249	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccn(C(C)C)n2)cc1	1322778543	GJKBXABGIQHTFQ-UHFFFAOYSA-N	302.334	1.547	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1csc(-c2ccco2)n1	1324745344	TYEVLZVGEIOHNE-JTQLQIEISA-N	321.358	1.733	50	20	DDGD	
COC(=O)C(=O)NN=C(C[C@H]1CCCO1)c1ccc(F)cc1	1323992083	WZMCGKUAFRTPEI-GFCCVEGCSA-N	308.309	1.388	50	20	DDGD	
O=C(COc1ccc([N+](=O)[O-])c(F)c1)NN=c1cc[nH]cc1	1337482189	GJOGEZNCOZYFHK-UHFFFAOYSA-N	306.253	1.073	50	20	DDGD	
C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)NNC(=O)c1cn[nH]c1	1331537258	RAGPHDXBCVZZDD-RISCZKNCSA-N	313.361	1.642	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)N[C@@H]1C=CCCC1	1252859477	HWXCQISDACZZFP-LLVKDONJSA-N	305.334	1.210	50	20	DDGD	
Cc1ccc(C(=O)NN=C2CCC[C@H](S(C)(=O)=O)C2)cc1O	1331984457	VDTNKFVCYMRPOF-ZDUSSCGKSA-N	324.402	1.774	50	20	DDGD	
C[C@H](C(=O)NNC(=O)COc1ccc(F)cc1)n1cccc1	1344525128	ZIDXRYYLOUSHCU-LLVKDONJSA-N	305.309	1.415	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2ncn(C(C)(C)C)n2)nn1	1261212749	LCMWGAQYDVOHFC-UHFFFAOYSA-N	317.397	1.878	50	20	DDGD	
O=C(C[C@@H]1CC[C@H]2C[C@H]12)NNC(=O)c1n[nH]c2c1CCCC2	1261254547	RLFWJKCZUCNJSZ-NHCYSSNCSA-N	302.378	1.486	50	20	DDGD	
COc1cccc(NNC(=O)NCCN2CCC(C)(C)C2)n1	1358137886	FJWHEFZPCNRTRF-UHFFFAOYSA-N	307.398	1.448	50	20	DDGD	
Cc1nc(N2CCCCC2)sc1C=NNC(=O)c1ncon1	1352724686	GOGIVLQUMPWGSJ-UHFFFAOYSA-N	320.378	1.589	50	20	DDGD	
CC[C@]1(C(=O)OC[C@]2(C)C[C@@H]2Br)CCNC1=O	1515801943	XZUOIONUFUJUKP-UWJYBYFXSA-N	304.184	1.619	50	20	DDGD	
CCN(CC)CC[C@@H](C)NC(=O)NNc1ccc(Cl)nn1	1515343177	KJLSFTJHPKJJBM-SNVBAGLBSA-N	314.821	1.877	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)O)cc1	1603706203	MEWIWSAEDVUXOX-NWDGAFQWSA-N	305.334	1.683	50	20	DDGD	
O=C(C[C@H]1CCCC[C@@H]1O)NNc1ccc(F)c(C(=O)O)c1	1601352732	OHVBBTQLLFXBAE-RNCFNFMXSA-N	310.325	1.908	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C	1607140637	WBEYLBVUXFOOSU-YCWTYVPXSA-N	322.361	1.896	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cc3nn[nH]c3cc2F)c1	1602448604	UPZUPIBSQBHLAY-UHFFFAOYSA-N	315.264	1.552	50	20	DDGD	
Cc1cc(C)c(NNC(=O)Cn2ccc(C(=O)O)n2)c(C)c1	1600163357	JYQIUPQORJMHKG-UHFFFAOYSA-N	302.334	1.650	50	20	DDGD	
O=C(C[C@@H]1CC[C@@H](C2CC2)O1)NNc1ccc(C(=O)O)cn1	1601252079	QLEGCSMENODGPE-RYUDHWBXSA-N	305.334	1.571	50	20	DDGD	
C=C(CBr)CN1CCCC[C@@]1(COC)C(=O)O	1602772416	XNYBQSMRCMMCMH-GFCCVEGCSA-N	306.200	1.893	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2csc(-c3nn[nH]n3)c2)n1	1605651662	YAUPMGSQLNXFQL-UHFFFAOYSA-N	316.350	1.092	50	20	DDGD	
O=C(O)c1cccc(C(=O)NNc2cccc([N+](=O)[O-])c2)n1	1602433223	KEBVOAMTTUVTQD-UHFFFAOYSA-N	302.246	1.445	50	20	DDGD	
Cn1cc(C=NNC(=O)c2ccc(Cl)nc2)cc1C(=O)O	1608106884	IPEQQJVHACSIGS-UHFFFAOYSA-N	306.709	1.536	50	20	DDGD	
O=C(O)C1(N(C2CC2)S(=O)(=O)CCCCCl)CCC1	1601720965	UMXUVSRJVHBIQW-UHFFFAOYSA-N	309.815	1.807	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC2CCCCC2)cc1C(=O)O	1607733615	SCNQFMQQVAOQFH-UHFFFAOYSA-N	319.361	1.970	50	20	DDGD	
O=C(NN=C1CCc2ccccc21)c1ccc(-c2nn[nH]n2)cc1	1609557556	WHQQMQUYEDKAET-UHFFFAOYSA-N	318.340	1.947	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNc2ccccc2C(=O)O)cc1	1610629654	WRWIEDLAPJEXNE-UHFFFAOYSA-N	311.297	1.779	50	20	DDGD	
O=C(CCCn1ccnc1)NNc1ccc(C(=O)O)cc1F	1610655870	BQBWOGARKJEOOJ-UHFFFAOYSA-N	306.297	1.644	50	20	DDGD	
CCOCCOCC(=O)NNc1ccc(C(=O)O)c(F)c1	1610037495	UOBZJZVVZIBKGT-UHFFFAOYSA-N	300.286	1.020	50	20	DDGD	
Cn1c(=NNC(=O)[C@]23CC[C@H]2CNC3)sc2ccccc21	1579940088	ORSRBXZBYMIVQK-BONVTDFDSA-N	302.403	1.171	50	20	DDGD	
N#CCCC[C@H](N)C(=O)NNc1ncc(Cl)cc1Cl	1580049140	INYBNJLHQHPRDK-VIFPVBQESA-N	302.165	1.853	50	20	DDGD	
C=C[C@H](NNC(=O)c1cc(C)n(-c2ccccc2)c1C)C(=O)O	1588701723	XSLLPRIUAFPZTJ-HNNXBMFYSA-N	313.357	1.968	50	20	DDGD	
C=CCC(=O)N1CCCC12CN(C(=O)[C@H](Cl)COC)C2	1846378207	LIDJPUWUPCTTMH-LLVKDONJSA-N	300.786	1.020	50	20	DDGD	
CO[C@H](CC(=O)NNc1ncccc1C(=O)O)C(F)(F)F	1593939076	ZZXNSEOJSLAFFZ-SSDOTTSWSA-N	307.228	1.190	50	20	DDGD	
CN(C)c1cccc(NC(=O)NNc2ncccc2C(=O)O)n1	1593714870	TWGSCDVAEBRGCY-UHFFFAOYSA-N	316.321	1.389	50	20	DDGD	
O=C(O)Cn1cccc1C=NNC(=O)c1cccc(Cl)c1	1595158871	YGNABLBCHHGKEK-UHFFFAOYSA-N	305.721	1.990	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@@]12CCCC[C@@H]1OCC2	1595261493	CNMXOGCCJSCHET-XHDPSFHLSA-N	305.334	1.572	50	20	DDGD	
CCc1cccc(C(=O)NNc2ccc(C(=O)O)cn2)c1O	1597575735	FFBPUBGKQPMEPP-UHFFFAOYSA-N	301.302	1.805	50	20	DDGD	
N#C/C(=C\c1ccc(-c2nn[nH]n2)cc1)C(=O)NCc1ccco1	1592663145	TXSOLQDIFLRIKA-MDWZMJQESA-N	320.312	1.683	50	20	DDGD	
COC(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1C(F)(F)F	1591275147	MQLZKSOGVSSEJP-UHFFFAOYSA-N	314.227	1.575	50	20	DDGD	
COc1ccc(C)c(C=NNC(=O)c2nccs2)c1C(=O)O	1776109291	CGJKHLBMZCOGNG-UHFFFAOYSA-N	319.342	1.922	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=Cc2ncc(F)cc2F)c1	1776096265	RWAUFKNRBMGJIF-UHFFFAOYSA-N	305.240	1.822	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCc1cccc([N+](=O)[O-])c1	152823834	LZCVRZCWOWLJLZ-UHFFFAOYSA-N	317.305	1.020	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CC[C@H]2CCCO2)n1	155745078	RWIUQMVUFAIAEG-GFCCVEGCSA-N	307.398	1.725	50	20	DDGD	
Cc1oc2nc[nH]c(=O)c2c1C(=O)NNc1cccc(F)c1	154151477	FQJNEABBGZDRAT-UHFFFAOYSA-N	302.265	1.721	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)[C@@H]1CCCc2sccc21	156656213	PJFZLGOFGOMALF-SECBINFHSA-N	314.374	1.978	50	20	DDGD	
CN(C)C(=O)O[C@H]1CCN(CCI)C1	495973472	XHJZVLBBUDGAGF-QMMMGPOBSA-N	312.151	1.194	50	20	DDGD	
CN(C(=O)OC(C)(C)C)[C@H]1CCN(S(=O)(=O)CCl)C1	830791442	SZRWGYQLJDJBET-VIFPVBQESA-N	312.819	1.454	50	20	DDGD	
C[C@H](CC(=O)OCc1ccccc1)NS(=O)(=O)CCl	830940467	UBWFLQWLTMKONO-SNVBAGLBSA-N	305.783	1.624	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccc2nccnc2c1	103425207	RHJLINAVWDUUDW-UHFFFAOYSA-N	307.313	1.029	50	20	DDGD	
CN1CCN(C(=O)c2ccc(CNC=C(C#N)C#N)cc2)CC1	55006884	JGBGBUFRXBDYHB-UHFFFAOYSA-N	309.373	1.095	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCc2sccc2C1	109827937	XVROAQJRZTZXDT-LLVKDONJSA-N	309.435	1.688	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)c1cnn(C)c1)c1ccccc1Cl	117680445	LIPWBZLFUMXTJE-YFHOEESVSA-N	318.764	1.938	50	20	DDGD	
CC(C)[C@H](C)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O	172156101	BXXHGHQAWWIEDB-NSHDSACASA-N	316.361	1.631	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)c2ccc(F)cc2)C[C@H](C)O1	68194713	MEJWUTWHZAXDKL-RYUDHWBXSA-N	323.368	1.086	50	20	DDGD	
CC(C)c1ccc(CN(C)CC(=O)NNC(=O)C2CC2)cc1	112975652	YPOFSYQDLZPMDI-UHFFFAOYSA-N	303.406	1.799	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1CCc2c(Cl)cccc21	171782017	LPKYRIDZEPRSLS-LBPRGKRZSA-N	311.769	1.694	50	20	DDGD	
COc1csc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1	176388653	RZPSYCKXTWYHTE-UHFFFAOYSA-N	321.314	1.740	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN[C@@H]2CCCC[C@@H]2C)n1	172481043	YBDXDTNPJQCFGY-CMPLNLGQSA-N	324.450	1.310	50	20	DDGD	
CC(C)(C)C(=O)CSCC(=O)NNC(=O)c1ccccc1	175159104	SFZLNGXCUXYHLK-UHFFFAOYSA-N	308.403	1.796	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)/C=C/C1CCOCC1	112172483	NYCNUPHPXNWCKK-VOTSOKGWSA-N	318.373	1.368	50	20	DDGD	
CC(C)(C)n1ncc2c(=O)[nH]c(NNC(=O)CC3CC3)nc21	111055107	NDVYCJOFFLUPSS-UHFFFAOYSA-N	304.354	1.118	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNC(=O)COc1ccccc1OC	65616869	XOLDYMQGFJHGAG-LBPRGKRZSA-N	324.377	1.427	50	20	DDGD	
COCCCOc1ccc(C(=O)NNc2cnccn2)cc1	176159416	CJRKVUZCOFTTQB-UHFFFAOYSA-N	302.334	1.649	50	20	DDGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cn(C)c(=O)n(C)c2=O)s1	170933518	NZWBEQJIYQYADC-UXBLZVDNSA-N	315.354	1.244	50	20	DDGD	
O=C(NNc1ncccn1)c1cccn(Cc2ccccc2)c1=O	63723303	UCKQUTGRSQGFCB-UHFFFAOYSA-N	321.340	1.444	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)Cc1ccccc1OC	69358570	QSURLMZZMOJVDO-LBPRGKRZSA-N	306.362	1.366	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)c2ccc(CC)cc2)CC1	174403175	CBUDCKCZJHSBKN-UHFFFAOYSA-N	304.346	1.353	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1	120360707	GUSVHISEXZSENT-NSHDSACASA-N	311.426	1.465	50	20	DDGD	
Cc1cc(C#N)ccc1S(=O)(=O)NNC(=O)c1ccccc1	76935503	SDOOSSIANPXSHN-UHFFFAOYSA-N	315.354	1.490	50	20	DDGD	
O=C(NCCc1cccnc1)NNC(=O)c1ccc(Cl)cc1	122889125	LQXIGPRBCLQOCW-UHFFFAOYSA-N	318.764	1.922	50	20	DDGD	
CCN(CC)CCNC(=O)c1c(C)nn(CCCl)c1C	74164390	NOLIZXPENRSZMO-UHFFFAOYSA-N	300.834	1.810	50	20	DDGD	
CC[C@H](COC)NC(=O)NNC(=O)[C@H](CC)c1ccccc1	129438500	AEBVEJWBHILNSD-ZIAGYGMSSA-N	307.394	1.936	50	20	DDGD	
O=C(NNc1ncccn1)C(=O)Nc1ccc(F)cc1Cl	120064118	DAMMBBFTEJUWFK-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1cc(F)c(F)c(F)c1	186045922	ZIZWAQDVTVYBHK-UHFFFAOYSA-N	324.262	1.894	50	20	DDGD	
CN1CCC(CCNC(=O)NNc2nc3ccccn3n2)CC1	188567996	NGXVFXFHVNSYTJ-UHFFFAOYSA-N	317.397	1.087	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccn(-c2ccc(F)cc2)n1	123115282	WLKUKKFQYTXLBC-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
O=C(O)[C@@H]1CCCCC[C@@H]1NS(=O)(=O)CBr	378681648	WZCQOYUXDWLMSQ-SFYZADRCSA-N	314.201	1.292	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C[C@H]2CCC[C@@H]2C)c1O	184674975	IMVPRQVPYZAVBS-WDEREUQCSA-N	306.362	1.988	50	20	DDGD	
CCCCCCNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	42920388	JHOANTUOESQTCL-AWEZNQCLSA-N	321.377	1.737	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)CCc1ccc(Cl)s1	44350028	GTPJJUIKTQVPCX-UHFFFAOYSA-N	317.798	1.006	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H]1COc2ccc(F)cc2C1	131830074	DZUGJJZBHXNIHM-SNVBAGLBSA-N	318.308	1.319	50	20	DDGD	
COc1nccnc1NNC(=O)c1cnn(C(C)(C)C)c1C	132178968	LSZKOLIGDDNACB-UHFFFAOYSA-N	304.354	1.502	50	20	DDGD	
COc1cccc(C(=O)NCC(=O)NNc2ccc(F)cc2)c1	192658389	AWLVLPQUEPNEKT-UHFFFAOYSA-N	317.320	1.707	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)c1ccccc1C(C)(C)C	136908560	KEYBROGLDJMJCQ-UHFFFAOYSA-N	305.378	1.270	50	20	DDGD	
C[C@H](CNC(=O)NNc1nc2ccccn2n1)CN1CCCC1	191311094	AABVPUPGQMPRCE-GFCCVEGCSA-N	317.397	1.087	50	20	DDGD	
CCCc1cnc(NC(=O)C(=O)NNC(=O)[C@H](C)CC)s1	190718013	YHAOSELEYXFJLM-MRVPVSSYSA-N	312.395	1.228	50	20	DDGD	
CC(=O)NNC(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1	190177640	CBMAPTLXGYFNQR-UHFFFAOYSA-N	317.353	1.132	50	20	DDGD	
Cc1c([C@H](C)NC(=O)NNc2ccc(Cl)nn2)cnn1C	194254726	MATULAWDRIROTB-ZETCQYMHSA-N	309.761	1.559	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@H]1C[C@@H]1c1cccc(Cl)c1	194896071	NDGYBDPEYADKES-OLZOCXBDSA-N	323.780	1.517	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NC[C@H]1CCCCO1)c1ccccc1	264660960	LMCWGIZBGALIRP-CQSZACIVSA-N	319.405	1.864	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)C(C)(C)c2ccccc2)CCO1	264652527	HAMQAFKEYGCKBI-GFCCVEGCSA-N	305.378	1.426	50	20	DDGD	
Cn1ccnc(NNC(=O)c2ccccc2OCC2CC2)c1=O	267240161	RVKIVXVAMVDLIO-UHFFFAOYSA-N	314.345	1.326	50	20	DDGD	
CN(NC(=O)NCCS(=O)(=O)C(C)(C)C)c1ccccc1	265112230	ZXCSNHOHCUWELG-UHFFFAOYSA-N	313.423	1.550	50	20	DDGD	
CCCc1[nH]nc(C(=O)NNC(=O)NC2CCCC2)c1[N+](=O)[O-]	265693467	ZHBBBFOFJDEXGK-UHFFFAOYSA-N	324.341	1.157	50	20	DDGD	
COc1cn(-c2ccccc2)nc1C(=O)NNC(=O)C1CCC1	264767344	NRMHVBNRGBBOOQ-UHFFFAOYSA-N	314.345	1.442	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCCOc1ncccc1F	269740460	YYYPCZAGLVPUIY-UHFFFAOYSA-N	314.317	1.338	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNc2cccc([N+](=O)[O-])c2C)C1	269617695	RDEQWKNIKULDOO-NSHDSACASA-N	320.349	1.605	50	20	DDGD	
O=C(NNC(=O)c1cc(F)cc(C(F)(F)F)c1)NC1CC1	267969768	PFOSDGMXWZAATQ-UHFFFAOYSA-N	305.231	1.951	50	20	DDGD	
CC(C)Oc1ccc(CNC(=O)NNC(=O)C2CCC2)cn1	264786482	ZKPQSAKCKORYKR-UHFFFAOYSA-N	306.366	1.499	50	20	DDGD	
CNC(=O)CCCNC(=O)NNc1cc(F)c(F)c(F)c1	266951119	KCBURFDNQIRDQJ-UHFFFAOYSA-N	304.272	1.256	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1ccc([N+](=O)[O-])cc1	268978420	AQMVRZQDZZYYFA-UHFFFAOYSA-N	310.310	1.516	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H](C)c2nnc(C)s2)n1	273698356	OLDHEVBCQUFBTI-SSDOTTSWSA-N	308.367	1.637	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](C)[C@H]2CCCCO2)s1	272012339	WELZIVLNKCPXLO-GHMZBOCLSA-N	311.407	1.958	50	20	DDGD	
CCOC[C@@H](NC(=O)NNC(=O)c1ccccc1O)C(C)C	276893044	LNWDTIRMCRATMN-GFCCVEGCSA-N	309.366	1.397	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)Cc2cncs2)nc1C	276155061	FMZIOKSMZYVVRM-UHFFFAOYSA-N	321.362	1.104	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2cccc3c2OCCO3)CC1	273454311	AFWIOVJOJYQJKX-UHFFFAOYSA-N	306.343	1.302	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)CCc1ccccc1)NC1CCCCC1	270913941	QPQQYKZQNDVVDD-HNNXBMFYSA-N	319.405	1.643	50	20	DDGD	
C[C@@H](NS(=O)(=O)c1ccc(CCCCl)cc1)C(=O)O	270431708	IDZXDXRDSYNHFL-SECBINFHSA-N	305.783	1.609	50	20	DDGD	
C#C[C@@H](C)NC(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	278026730	AVTPRBVQWGXEJZ-NXEZZACHSA-N	309.753	1.459	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	274362847	UNKMCADZQCQNES-DTWKUNHWSA-N	315.295	1.946	50	20	DDGD	
CC1(C)CCN(CC(=O)NNC(=O)c2ccccc2)CCS1	279673272	FOLKFNKJIUEYOH-UHFFFAOYSA-N	321.446	1.665	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C2CCC2)cc([N+](=O)[O-])c1C	277329320	VGWOJUMKQZLZMT-UHFFFAOYSA-N	307.306	1.473	50	20	DDGD	
CCOC(=O)c1cc(NS(=O)(=O)CCCCCl)cn1C	276246349	QEWDULZVCZEAOD-UHFFFAOYSA-N	322.814	1.963	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1	274234406	LHOLIPQFIXKUAV-UHFFFAOYSA-N	313.741	1.834	50	20	DDGD	
CCc1nn(C)c(OC)c1CNC(=O)NN(C)c1ccccc1	271454382	FGDKLUGYQUEOLQ-UHFFFAOYSA-N	317.393	1.842	50	20	DDGD	
COC(=O)[C@H]1COCCN1C(=O)[C@@H](Br)C(C)(C)C	372102151	LOEHJWKFDUAQAN-RKDXNWHRSA-N	322.199	1.196	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccnc1OCC(F)F	272571146	PECWOQRYGPHGIS-UHFFFAOYSA-N	302.281	1.032	50	20	DDGD	
Cn1c(C(=O)NNC(=O)C(C)(C)C)cc2ccccc2c1=O	285299504	VYGWPSFLAFKRHA-UHFFFAOYSA-N	301.346	1.346	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	286619993	IXYIJXLIOYHVNX-UHFFFAOYSA-N	307.306	1.171	50	20	DDGD	
CO[C@H]1CCC[C@@H](CC(=O)NNc2ncnc3nc[nH]c23)C1	280659977	GPEWWMSHVLIJHP-ZJUUUORDSA-N	304.354	1.391	50	20	DDGD	
CNC(=O)CCCC(=O)NNC(=O)Nc1ccc(Cl)cc1	283679827	HIRYNSJKKGCRKG-UHFFFAOYSA-N	312.757	1.409	50	20	DDGD	
CSCCCN(C)CC(=O)NNC(=O)Cc1ccccc1C	281442920	PZNSZXBRVDYOSA-UHFFFAOYSA-N	323.462	1.370	50	20	DDGD	
O=C(NC[C@@H]1CCCCN1C1CC1)NNc1cccc(F)n1	288511264	BWHUSECPNZQRTF-LBPRGKRZSA-N	307.373	1.864	50	20	DDGD	
CC(C)[C@H](NC(=O)NNC(=O)OC(C)(C)C)c1nncn1C	288573067	WQRYIUWGPGRDDU-VIFPVBQESA-N	312.374	1.251	50	20	DDGD	
Cn1nnc2cc(C(=O)NNc3nccnc3C3CCC3)cnc21	286902157	HAYLDPVYMYHFRU-UHFFFAOYSA-N	324.348	1.178	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H]1CCCC12OCCO2	807194736	IGSBMLKLXDWYHK-GFCCVEGCSA-N	320.345	1.460	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1	294144260	AQCSCZPQCFSNAI-ZFWWWQNUSA-N	319.405	1.206	50	20	DDGD	
COC1(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)CCC1	802105973	NDQHBYYEAJVDNW-UHFFFAOYSA-N	307.306	1.137	50	20	DDGD	
COCCN(C)NC(=O)Cc1ccc(F)cc1Br	296932848	BDCAZXOZSSIRLK-UHFFFAOYSA-N	319.174	1.740	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)N=c2cc[nH]cc2)c1	802028117	KNAYDTOWNUKQDX-UHFFFAOYSA-N	314.345	1.434	50	20	DDGD	
CC(F)(F)C(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1	293561729	CVYSUEGKBXNEER-UHFFFAOYSA-N	314.296	1.385	50	20	DDGD	
O=C(NNc1ncccc1F)c1csc(-c2cnccn2)n1	804212267	NKXXGIQAMFGZNZ-UHFFFAOYSA-N	316.321	1.891	50	20	DDGD	
COCCOc1ccc(CC(=O)NNC(=O)CC2CC2)cc1	294343128	ZSAFWUCBRZXKSD-UHFFFAOYSA-N	306.362	1.202	50	20	DDGD	
CN(NC(=O)c1cccc(-n2ccnn2)c1)C(=O)OC(C)(C)C	297541999	FAJXDHKVJBRVQZ-UHFFFAOYSA-N	317.349	1.779	50	20	DDGD	
Cc1nc2cccc(C(=O)NNC(=O)c3ccc(C#N)cc3)c2[nH]1	801859549	HPBAXLQXDNFHAQ-UHFFFAOYSA-N	319.324	1.818	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cnc(C(C)(C)C)nc1)C1CC1	808402860	GLTPESUJBUBLAM-SECBINFHSA-N	321.450	1.682	50	20	DDGD	
O=C(NNC(=O)c1ccc(F)cn1)Nc1cc(F)cc(F)c1	802004224	BHXPBLMVLYSQGO-UHFFFAOYSA-N	310.235	1.965	50	20	DDGD	
Cc1cc(C)cc(CCC(=O)NNC(=O)[C@@H]2CCCCO2)c1	295679203	XWASRZOAZBXOCM-HNNXBMFYSA-N	304.390	1.953	50	20	DDGD	
C#CCC1(C(=O)NNC(=O)N=c2cc[nH]cc2)CCCCC1	802026788	KIZRMOXVTGUZHP-UHFFFAOYSA-N	300.362	1.630	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)c2cc(Cl)ccc2O)C1	806355399	QUBYIARTCUHIEV-UHFFFAOYSA-N	312.753	1.622	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C[C@H]2COc3ccccc3O2)n1	294236189	BPEKSEUMCDCWNF-LBPRGKRZSA-N	314.345	1.767	50	20	DDGD	
CCOc1ccc(OCC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	295358759	JCIYUVFEQSMCLS-AWEZNQCLSA-N	322.361	1.181	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc2c(c1)SCC(=O)N2	294120734	KKAZBUXVDHTOAX-UHFFFAOYSA-N	305.359	1.292	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(O)ccc1Cl	293048119	XWZZRMHRUOBQTP-UHFFFAOYSA-N	301.730	1.026	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1ccc(-c2cnco2)cc1	299397824	USRPQECSLZVCLR-UHFFFAOYSA-N	316.317	1.028	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)c1cc(Cl)ccc1O	800687955	KEPUALFWIGVGGA-SXMVTHIZSA-N	312.753	1.620	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)O1	294092771	CYRFAEFSYVEKHO-AEHQLWAISA-N	324.327	1.783	50	20	DDGD	
CCOC(=O)CC(C)(C)CC(=O)NN=c1cc[nH]cc1Cl	807046178	SHRAJDQOBCLCNZ-UHFFFAOYSA-N	313.785	1.970	50	20	DDGD	
O=C(NNc1cnccn1)[C@@H]1CCN(c2ccccc2F)C1	291193720	GFTHOXJFUBHPNK-LLVKDONJSA-N	301.325	1.585	50	20	DDGD	
CC(F)(F)C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	815887407	GAFTVYVKIZHRCJ-UHFFFAOYSA-N	312.251	1.632	50	20	DDGD	
C[C@@H]1CCCC[C@H]1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	819535165	NKCKXKZUIMVIHA-FRRDWIJNSA-N	302.440	1.305	50	20	DDGD	
CN(NC(=O)c1nn(-c2ccc(Cl)cc2)cc1O)C1CC1	819648815	SVAXUEZMXMONBH-UHFFFAOYSA-N	306.753	1.970	50	20	DDGD	
COCC(=NNC(=O)N1CCOCC1)c1ccc(Cl)cc1	814819584	FRUMNENTCKPBID-UHFFFAOYSA-N	311.769	1.732	50	20	DDGD	
COc1ccccc1C(=O)NN=Cc1cc(CO)ccc1O	814843360	BZCPHQMMDLBCRU-UHFFFAOYSA-N	300.314	1.657	50	20	DDGD	
O=C(O)C[C@H]1CCCN(C(=O)NNC(=O)CCc2ccco2)C1	819365054	OAYGEPGEJAECRQ-LLVKDONJSA-N	323.349	1.140	50	20	DDGD	
CC(C)OC1CC(=NNC(=O)COc2ccccc2C#N)C1	814743815	OAFXDDKWRYAGNJ-UHFFFAOYSA-N	301.346	1.997	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)COc1ccccc1F	812445782	ZMIGKNNDLJHKFP-GHMZBOCLSA-N	312.341	1.271	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNc1nnc(-c2ccccn2)s1	812556609	RBQHEDJUYHNIEG-VHSXEESVSA-N	321.406	1.962	50	20	DDGD	
CCn1ccnc1C(=O)NNC(=O)Nc1ccc(OC)cc1	813576490	SVURVNRJFNNUCO-UHFFFAOYSA-N	303.322	1.378	50	20	DDGD	
O=C(NN=Cc1cc(CO)ccc1O)c1ccc(Cl)nc1	814810139	ZRPVSOJARFJXPJ-UHFFFAOYSA-N	305.721	1.697	50	20	DDGD	
O=C(NN=C1CCN(CCO)CC1)c1cc2ccccc2o1	819807877	IAVRYLDAHYNUGR-UHFFFAOYSA-N	301.346	1.607	50	20	DDGD	
CC(C)C(=O)NNC(=O)C1CCC(OC[C@H]2CCCO2)CC1	814734879	WRMJLKAKTXYKDL-JXQTWKCFSA-N	312.410	1.544	50	20	DDGD	
O=C(NN=C1CCC(C(=O)O)CC1)c1ccc2c(c1)OCO2	814700090	MVTNYVRJXIOCPI-UHFFFAOYSA-N	304.302	1.776	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccc(Cl)cc1)c1ccccc1	813362649	XLOBHMDPUDAZQT-CYBMUJFWSA-N	304.733	1.835	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=S)NCCc1cccnc1	727694132	QBRGRADCHXEMRS-UHFFFAOYSA-N	314.414	1.742	50	20	DDGD	
COc1ccc2oc(C(=O)NNc3cnnn3C)c(C)c2c1	816771958	HSFDHUXGHPOLIH-UHFFFAOYSA-N	301.306	1.635	50	20	DDGD	
CC(Cc1ccsc1)=NNC(=O)[C@@H](C)CN1CCOCC1	729636653	MPJQSUGLRWIPJB-LBPRGKRZSA-N	309.435	1.751	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)o1	829831637	QEYKNNPSWPNFNA-IJLUTSLNSA-N	319.361	1.044	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@](O)(CC)c1cccc(Cl)c1	496170852	NZQPQSBKULYAIV-CYBMUJFWSA-N	300.742	1.715	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccccc1	825681516	KSDYYFOPXJRYDQ-KWCYVHTRSA-N	321.377	1.130	50	20	DDGD	
Cc1ccc([C@@H]2CCCN2CC(=O)NNC(=O)C(C)C)cc1	827269920	GHCVSDAMSBQSQC-HNNXBMFYSA-N	303.406	1.935	50	20	DDGD	
CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NNC(=O)OCC	491015788	INJNBGHVKOWPQZ-ZKXNXJMVSA-N	315.395	1.022	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)c1	821719721	IJJYGJLCSJOHAN-UHFFFAOYSA-N	317.284	1.099	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1	823982740	CWAHHHDYFGSLPG-LLVKDONJSA-N	323.393	1.991	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)N[C@@H]1C[C@H]1C1CCC1	823105886	NUPYTCBMXQUOLK-LSDHHAIUSA-N	317.389	1.722	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CSC[C@H]2C)cc(C#N)n1C	490942479	OKDCQPKTQVTGOJ-NVSPHEKWSA-N	314.414	1.980	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNC(=O)Cc1ccc(Cl)cc1	728311592	GYRBDRMGNMDXFQ-UHFFFAOYSA-N	320.780	1.613	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1ccc(C(=O)O)[nH]1	827454886	HXSZYWPGUMMKTO-NSHDSACASA-N	306.366	1.285	50	20	DDGD	
CO[C@@H]1COC[C@H]1NC(=O)NNc1cc(F)c(F)c(F)c1	827925338	UDTHNVZUMDRXBV-NXEZZACHSA-N	305.256	1.144	50	20	DDGD	
Cc1ccccc1[C@H]1C[C@H](C)N(CC(=O)NNC(=O)C(C)C)C1	827858846	GMGHSHOHZRGKFT-GJZGRUSLSA-N	317.433	1.976	50	20	DDGD	
Cc1cncc(/C=C\C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1	826318857	CRCQBZGDRTZHQQ-UQCOIBPSSA-N	321.344	1.727	50	20	DDGD	
COC(=O)NCCCC(=O)NNC(=O)c1c[nH]c2ccccc12	490923165	ARVWPGNINOSUPE-UHFFFAOYSA-N	318.333	1.065	50	20	DDGD	
Cc1cn2ccnc(C(=O)NN(C)C(=O)OC(C)(C)C)c2n1	496953264	CVHJCUNNZAVDMH-UHFFFAOYSA-N	305.338	1.549	50	20	DDGD	
N#C/C(=C\c1ccc(N2CCC(O)CC2)cc1)C(=O)NC1CC1	905069986	SUWLINQHLHWAOK-SDNWHVSQSA-N	311.385	1.833	50	20	DDGD	
CN1C(=O)CCC[C@H]1C(=O)NNc1cc(F)c(F)cc1F	907094175	DPGHVBFKFVXGTE-NSHDSACASA-N	301.268	1.558	50	20	DDGD	
C[C@H](COc1ccc(F)cc1F)NCc1ccc(B(O)O)cc1	585017804	AMUSGTDBUNVMSJ-LLVKDONJSA-N	321.132	1.202	50	20	DDGD	
COc1ccc([C@@H](C)[C@@H](C)NCc2cccc(B(O)O)c2)cc1	585025719	AWXFDKAJXRQQNE-UONOGXRCSA-N	313.206	1.657	50	20	DDGD	
CN(CCCn1ccnc1)C(=O)[C@]1(C)C[C@H]1Br	907047172	NQUXQJYASWIHTF-ZYHUDNBSSA-N	300.200	1.905	50	20	DDGD	
COCCn1ccc(NC(=O)[C@]2(C)C[C@@H]2Br)n1	906501437	LLRNXSLVTSZQFV-GZMMTYOYSA-N	302.172	1.642	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)[C@]2(C)C[C@@H]2Br)[C@H]1OC	907386326	TXCJNNYMSIYJEX-KUNJHIDRSA-N	306.200	1.469	50	20	DDGD	
COc1cc(C)ccc1C=NNC(=O)[C@H](C)CN1CCOCC1	834931950	BFYCKRHXVONJRD-CQSZACIVSA-N	319.405	1.422	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3[C@H](Br)[C@H]3C2)C1	902742138	ZOOLTOMBGDZSML-SQXHDICFSA-N	302.168	1.339	50	20	DDGD	
COCCC1(CNCc2cccc(B(O)O)c2)CCCCC1	585035981	BHWGINRYYFMFFY-UHFFFAOYSA-N	305.227	1.443	50	20	DDGD	
C[C@H](C#N)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	736677217	XEFMQAFRAWOEJI-SSDOTTSWSA-N	303.290	1.286	50	20	DDGD	
CCC(C)(C)NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1cnn(C)c1	837969404	NKVBPGZIDBNGRP-NUBYWOLOSA-N	318.377	1.564	50	20	DDGD	
O=C(NNc1ccccc1)c1cccn1CCN1CCOCC1	907092689	KZEUYHUYORPFHD-UHFFFAOYSA-N	314.389	1.577	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1C(=O)O)c1cccc(C(F)(F)F)c1	739454036	NZTTYEMMDSRYRC-RKDXNWHRSA-N	316.235	1.187	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@]1(C)CCCCO1	837659621	ZLNWNFDYFYYZMX-INIZCTEOSA-N	306.362	1.344	50	20	DDGD	
COC1CCC(CCNCc2ccc(B(O)O)cc2F)CC1	585034989	OLNLPAXCTZHDPG-UHFFFAOYSA-N	309.190	1.190	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NOCC2CC2)c2ccccc2n1	838604184	PBLTWTCIYXCOGT-UHFFFAOYSA-N	314.345	1.829	50	20	DDGD	
C[C@@H]1N(C(=O)c2ccc(B(O)O)cc2)c2ccccc2C1(C)C	585005838	NICHLIAEJUJGDO-LBPRGKRZSA-N	309.174	1.693	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)c2cc(OC)cc(OC)c2)n1	834926956	YPNGMKGJFBQJCK-UHFFFAOYSA-N	317.349	1.388	50	20	DDGD	
COc1ccccc1C[C@H](C)CC(=O)NNC(=O)NC1CC1	730532831	RYIQQWNUNQWKPI-NSHDSACASA-N	305.378	1.757	50	20	DDGD	
C[C@@H](C#N)Oc1ccc(C=NNC(=O)[C@H]2CCCCO2)cc1	834990612	YUFTYXGURPEFPR-SWLSCSKDSA-N	301.346	1.997	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1	838497139	UICGDOGMNUOCNC-SGMGOOAPSA-N	317.393	1.808	50	20	DDGD	
C[C@]1(C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)C[C@@H]1Br	907270794	NCSOTJLPIGEFBD-DVYJOKAKSA-N	315.211	1.287	50	20	DDGD	
O=C(CSC[C@H]1CCCCO1)NNC(=O)[C@@H]1CCCCO1	833250052	BIXMLECEHJZASD-NEPJUHHUSA-N	316.423	1.005	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@H]1CSc2ccccc21	838480885	FVLKEUXGKDBTBE-RYUDHWBXSA-N	321.402	1.733	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)COc2ccccc2O)c2nccn21	834983511	YGHDAPSGZGERFN-SNVBAGLBSA-N	300.318	1.453	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CCCCN1C	731865278	NGYUYDJJSSUMLR-BXUZGUMPSA-N	323.368	1.225	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(=O)c2ccccc2o1	833261057	KMUPKUZDSJMTDZ-CYBMUJFWSA-N	316.313	1.123	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2c(C)[nH]c(C(=O)O)c2C)c(C)o1	832864565	NRMGSDQFFNQCMZ-UHFFFAOYSA-N	319.317	1.614	50	20	DDGD	
O=C(NNC(=O)c1ccncc1F)c1cc2c(s1)CCC2	741207671	PYROYZXZXBSHQI-UHFFFAOYSA-N	305.334	1.846	50	20	DDGD	
CN(C)c1cc(C(=O)NN=C2CCCN3CCCC[C@@H]23)ccn1	848405178	BUZVENYAXHWOSG-HNNXBMFYSA-N	315.421	1.882	50	20	DDGD	
C[C@@H]1OC(=O)N[C@H]1C(=O)NNc1ccc(C(F)(F)F)cc1	841408530	MAAWCQOHIPSRIG-IMTBSYHQSA-N	303.240	1.645	50	20	DDGD	
COc1ccc(C=NNC(=O)C(=O)NC(C)C)c2ccccc12	915955269	AEGFODCGPGFPJD-UHFFFAOYSA-N	313.357	1.823	50	20	DDGD	
CCCNC(=O)NNC(=O)c1c(C(C)C)nn(C)c1Cl	741675187	BKDAOENXSJIOQY-UHFFFAOYSA-N	301.778	1.551	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)Cc2cn3ccccc3n2)cn1	747637739	BEDNQNZHAFTENY-UHFFFAOYSA-N	310.361	1.805	50	20	DDGD	
CCC[C@](C)(CC)C(=O)NNc1ccccc1S(N)(=O)=O	842256518	HPYXZNYTHAWXRX-AWEZNQCLSA-N	313.423	1.994	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cc1cccc(Cl)c1F	843654365	HMXIVFOLSROQKG-WCBMZHEXSA-N	314.744	1.594	50	20	DDGD	
COc1cc(CC(=O)NNC(=O)[C@H]2CCO[C@H]2C)ccc1C	843643016	LDRRISHZBRLMEO-AAEUAGOBSA-N	306.362	1.119	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnccc1C(F)(F)F	847099530	RBPYFTIWGWWSIZ-JGVFFNPUSA-N	317.267	1.286	50	20	DDGD	
O=C(NNC(=O)c1ccc2ccccc2n1)c1ccnc(F)c1	748697276	ZIGJLXSSWIPNIM-UHFFFAOYSA-N	310.288	1.844	50	20	DDGD	
CSc1cc(C(=O)NNC(=O)NCC(F)(F)F)c(C)o1	847114543	BIQSYQORNBFMRK-UHFFFAOYSA-N	311.285	1.816	50	20	DDGD	
COc1nc2sccn2c1C=NNC(=O)[C@@H]1CCO[C@@H]1C	842560743	YXMOWKSOBQSFGZ-RKDXNWHRSA-N	308.363	1.280	50	20	DDGD	
CCC[C@@H](C)N1C[C@@H](C(=O)NNC(=O)C2CCCC2)CC1=O	917662810	DIFXPTNZVCOXQD-YPMHNXCESA-N	309.410	1.361	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CCc1nc(C(C)C)no1	915064538	YOKAMPMBEZHMRJ-UHFFFAOYSA-N	316.361	1.895	50	20	DDGD	
CSc1ccccc1CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843663967	ZZAKBTAPVWLHIN-CMPLNLGQSA-N	308.403	1.523	50	20	DDGD	
CC(C)CN1C[C@H](C(=O)NNC(=O)NC2CCCCC2)CC1=O	914602519	WFPOUEKVHBNVEY-GFCCVEGCSA-N	324.425	1.154	50	20	DDGD	
Cc1ccc(C)c(C2=NO[C@H](C(=O)NN(C)[C@H](C)CO)C2)c1	911445144	NFQLLVPAVOAKDW-DOMZBBRYSA-N	305.378	1.140	50	20	DDGD	
CCC(=NNC(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1	745591719	FVVGJFJQLHXJMU-UHFFFAOYSA-N	306.322	1.751	50	20	DDGD	
NNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	841843005	ATMUWUHUJSINNG-SECBINFHSA-N	300.309	1.430	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(F)cc2cccnc12	843658556	FEXURAZJQYIRCH-JOYOIKCWSA-N	317.320	1.560	50	20	DDGD	
COc1ccnc(C=NNC(=O)CNc2ccc(C)cc2C)n1	842521036	BKIYBBIVEIETCC-UHFFFAOYSA-N	313.361	1.664	50	20	DDGD	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)NNC(=O)c1ncccn1)C2	842174990	LKFKLRRHMBPHFG-MMPTUQATSA-N	317.393	1.635	50	20	DDGD	
CSC(C)(C)C(=O)OCC(=O)NNC(=O)c1ccccc1	849983628	JLUAHEASABCWEC-UHFFFAOYSA-N	310.375	1.132	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CCCN)c(Cl)cc1F	841239651	YZCJWVVVYNCGBT-UHFFFAOYSA-N	302.737	1.679	50	20	DDGD	
CC(C)(C)c1ccncc1CNC(=O)NNc1cccnn1	840414963	RWRVHYVHKOGRCV-UHFFFAOYSA-N	300.366	1.995	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)C1CCC1)N1CCc2ccccc21	847482050	GEONLSZYJARHET-GFCCVEGCSA-N	301.390	1.775	50	20	DDGD	
C[C@@H](CCN)NC(=O)NNC(=O)c1ccc(Cl)cc1F	841967021	JHMFXSZXRKRMHQ-ZETCQYMHSA-N	302.737	1.160	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H](C(=O)OC(C)(C)C)C(C)C	843752290	OFSMQEFAERZYFQ-SNVBAGLBSA-N	315.439	1.282	50	20	DDGD	
CO[C@H](C=NNC(=O)Cc1c[nH]c2ccccc12)[C@H]1CCOC1	841612689	MWDVIINXFWCKHL-BLLLJJGKSA-N	315.373	1.864	50	20	DDGD	
C[C@H]1[C@H](CO)CCCN1C(=O)NNC(=O)c1cccc(C#N)c1	841577787	FZQQBHHASFSOAW-FZMZJTMJSA-N	316.361	1.005	50	20	DDGD	
O=C(NCC[C@]1(O)CCCOC1)NNc1ccc(F)c(F)c1	923088452	POCRVOHHCGCWMW-CQSZACIVSA-N	315.320	1.523	50	20	DDGD	
C[C@@H]1COC[C@H]1NC(=O)NNC(=O)Cc1c[nH]c2ccccc12	925992973	SUDJUPHOQXEFJV-QMTHXVAHSA-N	316.361	1.076	50	20	DDGD	
C[C@H](CCCC(F)(F)F)NC(=O)NNC(=O)c1cnn(C)c1	755299360	SMXMWSGJHCJMFY-MRVPVSSYSA-N	321.303	1.485	50	20	DDGD	
CN1C(=O)CC[C@H]1C(=O)NNc1cccc(C(F)(F)F)c1	752627182	SXCWNDRLRPSFGG-JTQLQIEISA-N	301.268	1.769	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H]1CCN(Cc2ccccc2)C1=O	929791154	QCRDBOTVKHYNCO-AWEZNQCLSA-N	317.389	1.229	50	20	DDGD	
COc1cc(NC(=O)NC[C@@]2(C)C[C@H]2Br)ncn1	856848180	CPHITFUASKSAEW-RDDDGLTNSA-N	315.171	1.780	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@]1(C)C[C@@H]1Br	856900803	PIAGKOWWAUWORU-GZMMTYOYSA-N	306.204	1.536	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2ccc3c(c2)COC3)n1	755439840	NECSBQXKYLUTMI-UHFFFAOYSA-N	314.345	1.510	50	20	DDGD	
C[C@H](Cn1ccnc1)NC(=O)NC[C@]1(C)C[C@H]1Br	856719359	QLKIAAUDEMIUON-FOGDFJRCSA-N	315.215	1.744	50	20	DDGD	
CCc1nc(O)c(C(=O)NNC(=S)NC(C)(C)C)cc1C	929429954	UHYBOUZORFASII-UHFFFAOYSA-N	310.423	1.565	50	20	DDGD	
COc1cccc(CNC(=O)NNC(=O)[C@@H]2CCCCO2)c1C	852699915	GTVJYUFUTMOJQC-AWEZNQCLSA-N	321.377	1.403	50	20	DDGD	
CC(C)CN1C[C@@H](C(=O)NN=c2cc[nH]cc2Cl)CC1=O	757420251	VYRFTWCJOOUPAV-JTQLQIEISA-N	310.785	1.105	50	20	DDGD	
CN(C)Cc1cccc(C(=O)NNC(=S)NCC2CCC2)c1	855091371	NJQQMQABPFMXSD-UHFFFAOYSA-N	320.462	1.657	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@@H](C)[C@@H]1CCCN(C2CCC2)C1	754462871	GMKMBQAVUHVOBB-MELADBBJSA-N	324.469	1.175	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cc1n[nH]c2ccccc12)C1CC1	855101837	CIKDQBSXNXEDMR-VIFPVBQESA-N	317.418	1.399	50	20	DDGD	
C[C@H]1C[C@H]1C=NNC(=O)CCN1CCN(c2ccccc2)CC1	758358907	MODSALDBOOMFQJ-HOTGVXAUSA-N	314.433	1.957	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)s1	755461989	LWFSNWORQQRKSJ-UHFFFAOYSA-N	319.346	1.881	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NN=CC[C@H]1CCOC1	853376644	UGPGBKFKMWJZHZ-GZBFAFLISA-N	320.393	1.416	50	20	DDGD	
COC[C@H](C)CS(=O)(=O)NC[C@@]1(C)C[C@H]1Br	856754236	DTKAHSIHJFEXDB-IVZWLZJFSA-N	314.245	1.362	50	20	DDGD	
C[C@@H]1[C@@H](c2ccccc2)CCN1CC(=O)NNC(=O)C1CC1	751499998	MLZCDSPXWNLNJU-DOMZBBRYSA-N	301.390	1.422	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)NCC[C@H](C)N	857113912	JZGHYSAIRZYPOE-QMMMGPOBSA-N	314.773	1.030	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccnn1	757661651	PSLZFBDQGSKLEX-UHFFFAOYSA-N	315.377	1.846	50	20	DDGD	
COCc1cncc(C(=O)NNC(=S)N[C@@H](C)C2CC2)c1	855096304	WQWUIAZOQKPJLY-VIFPVBQESA-N	308.407	1.135	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)CO)cccc1OCC(F)(F)F	756334891	UDQIORFOHQFHHE-UHFFFAOYSA-N	321.255	1.081	50	20	DDGD	
CCCCN(C)S(=O)(=O)NC[C@@]1(C)C[C@H]1Br	856755151	ANSFWNSYPUZIJO-NXEZZACHSA-N	313.261	1.726	50	20	DDGD	
COCCOc1ccc(CC(=O)NCCCSC#N)cc1	854359672	TVMBMMJKTYVREV-UHFFFAOYSA-N	308.403	1.975	50	20	DDGD	
COc1ccc2c(c1)N(CC(=O)NNC(=O)C1CC1)CCCC2	756911014	GUUASZBWVXEMEP-UHFFFAOYSA-N	317.389	1.395	50	20	DDGD	
CC(C)(C(=O)NC[C@]1(C)C[C@H]1Br)S(C)(=O)=O	857689694	MYVDIKOSEVWQOI-XCBNKYQSSA-N	312.229	1.099	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H](C)C2=CCN(C)CC2)c1	858354970	XEHDOOFCYQOYFM-NSHDSACASA-N	322.434	1.651	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1cc2occc2[nH]1	750878544	JNAXZCXZZAQFGA-UHFFFAOYSA-N	310.273	1.963	50	20	DDGD	
COC(=O)N1CCC(C(=O)NNc2ccc(Cl)cn2)CC1	856094908	ZQZZJHMNZKMPDI-UHFFFAOYSA-N	312.757	1.657	50	20	DDGD	
CC1(C)C[C@@H]1C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1	751801084	JOSZNQXBAMGJGP-LLVKDONJSA-N	324.764	1.690	50	20	DDGD	
C#C[C@@H](CC)NC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	854068993	OKQCQCRJIWNDTJ-JQWIXIFHSA-N	307.325	1.335	50	20	DDGD	
COCn1ccc(C(=O)NNc2nccnc2C2CCC2)n1	854459780	RLCOSNBSPCGPAU-UHFFFAOYSA-N	302.338	1.301	50	20	DDGD	
CCOC(=O)C[C@H](C)CNC(=O)NNc1ccc(Cl)cn1	852234316	YPAPHJGTMHBYJE-VIFPVBQESA-N	314.773	1.950	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(Cl)cs1	758757801	TUHCNIZLAJCGHC-LURJTMIESA-N	304.755	1.504	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cc(F)ccc1O	863097990	XJFSDXSMEOLKDN-UHFFFAOYSA-N	302.174	1.963	50	20	DDGD	
OB(O)[C@H]1CCN(c2nn3cc(-c4ccccc4)nc3s2)C1	864233732	LQRHNGIIYKECMI-NSHDSACASA-N	314.179	1.511	50	20	DDGD	
O=C(NN=Cc1ccc(-n2cncn2)c(F)c1)c1ccccn1	863950960	XQRDQZODBJHZSQ-UHFFFAOYSA-N	310.292	1.565	50	20	DDGD	
O=C(NNC(=O)c1cnn(C(F)F)c1)OCC(F)(F)F	869281916	QOVOBCFTFCJHTK-UHFFFAOYSA-N	302.159	1.212	50	20	DDGD	
Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC=C(C#N)CC1	867070664	VIVXPJBLHFECLK-UHFFFAOYSA-N	305.334	1.850	50	20	DDGD	
C[C@@H](NNC(=O)COc1ccccc1[N+](=O)[O-])C(F)(F)F	862303215	MSJACDSXIMBAMC-SSDOTTSWSA-N	307.228	1.545	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2cc3c(s2)CCC3)n[nH]1	869012744	CRQGVDFJEBXGCA-UHFFFAOYSA-N	304.375	1.272	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NNc1ncc(F)cn1	760915107	USGITEGHLQLEAR-JTQLQIEISA-N	309.345	1.096	50	20	DDGD	
COC(=O)c1cccc(NC(=O)NNC(=O)c2ccccc2)c1	861642278	WKNUXMLRNHGYAV-UHFFFAOYSA-N	313.313	1.940	50	20	DDGD	
Cc1ccc([C@@H](C)[C@@H](O)C(=O)NNC(=O)c2ccncc2)cc1	764581281	PXZMOAYCOXTXMK-IUODEOHRSA-N	313.357	1.316	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O	867166874	OZHGPKJVKPJUQU-GARJFASQSA-N	322.858	1.167	50	20	DDGD	
CNC(=O)[C@@H](C)CN(C)C(=O)[C@@H](Br)C(C)(C)C	768222953	IGCUOPMCTMAHQY-DTWKUNHWSA-N	307.232	1.637	50	20	DDGD	
Cc1ccccc1C[C@H](C)C(=O)NNC(=O)[C@H]1CCCCO1	861854697	ZZMMMTGANJLKER-DZGCQCFKSA-N	304.390	1.890	50	20	DDGD	
O=C(COc1ccc(Cl)cc1)NN=C1CCS(=O)CC1	761800326	AYZOJKVYQHDCLU-UHFFFAOYSA-N	314.794	1.734	50	20	DDGD	
Cn1ccc(NNC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)n1	1116836913	KIZDNKMHIFEYPN-SNVBAGLBSA-N	303.297	1.128	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@@H](C)c1cccc(O)c1	769904397	HNLPTCWCZHZJLG-NWDGAFQWSA-N	307.394	1.625	50	20	DDGD	
COc1nccnc1NNC(=O)C(=O)Nc1cccc(F)c1C	766271166	LNQKDZIJGJTEOL-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NNc1nc2ccccc2[nH]1	870210371	QNCAYLMFYLBNCK-ZANVPECISA-N	303.366	1.557	50	20	DDGD	
COC1(C=NNC(=O)CNc2ccc(C)cc2)CCOCC1	761746800	YHFQFDBLGVQFSD-UHFFFAOYSA-N	305.378	1.705	50	20	DDGD	
COCC(=O)NN=Cc1cc(OC)c(O)cc1Br	761821980	QCPLBNCYBXRNOP-UHFFFAOYSA-N	317.139	1.260	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNC(=O)c2ccccc2Cl)n1	1118978728	OQGOEXPTUSBVKJ-SNVBAGLBSA-N	320.780	1.942	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc(Cl)c(C#N)c1	777796296	YHGLOKUPQIGPPE-UHFFFAOYSA-N	302.721	1.625	50	20	DDGD	
Nc1cnnc(NNC(=O)NC[C@H]2CCCS2)c1Cl	1116296647	XJBPEPWDYGGDOQ-ZCFIWIBFSA-N	302.791	1.234	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)CO)cc1OCCC	777781723	CGDVSSRMCNYFPK-UHFFFAOYSA-N	310.350	1.018	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1ccc2ccccc2n1	779835881	ZSWNJQNKRQLICX-UHFFFAOYSA-N	300.362	1.984	50	20	DDGD	
O=S(=O)(CBr)N1CCc2ccccc2[C@@H]1CO	778056075	VPFGYOIDPKWPGU-NSHDSACASA-N	320.208	1.260	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cc2ccc(C)c(O)c2)nc1	772921481	MUGIQPDMTHCWBF-UHFFFAOYSA-N	315.329	1.568	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@]2(O)CCSC2)c1	873775655	NRBJQHGEJBWCRL-ZDUSSCGKSA-N	311.432	1.181	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cccc(Cl)c1O	775714868	RUDZICKXZQIRBQ-UHFFFAOYSA-N	305.721	1.444	50	20	DDGD	
COc1ccc(C)cc1[C@H](C)NCC(=O)NNC(=O)C(C)(C)C	774822478	BHNHREDYJLYZDQ-LBPRGKRZSA-N	321.421	1.848	50	20	DDGD	
O=C(NC[C@@H]1COCCO1)NNc1cccc(F)c1Cl	875129520	QPVMCHFRLFJGJW-MRVPVSSYSA-N	303.721	1.521	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1cnn(-c2ccc(F)cc2)c1C	1116191150	DOMCRZHWVWSHCV-UHFFFAOYSA-N	318.308	1.333	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=S)Nc2ccccn2)c1C	874956813	PNCGXLHEEUXDDQ-UHFFFAOYSA-N	318.406	1.546	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CC(C(F)F)C2)cc(C#N)n1C	770430307	STFIIBXTDQSZHH-QDEBKDIKSA-N	304.300	1.836	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1C#N)c1cnn(C)c1C	778540614	VLZTVTWTGUSZRC-UHFFFAOYSA-N	311.345	1.519	50	20	DDGD	
C[C@@H]1Oc2ccc(NC(=O)NNc3ccccn3)cc2NC1=O	779011290	RCIMLXQXGBXDCT-VIFPVBQESA-N	313.317	1.950	50	20	DDGD	
CCOCC(=O)COC(=O)/C(C#N)=C\c1ccc(OC)cc1	777032532	ASYGCGGGXDDDTD-JYRVWZFOSA-N	303.314	1.751	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2ccc(OC(F)(F)F)cc2)C1=O	773458536	LDXHWTLMUNMDPW-JTQLQIEISA-N	317.267	1.507	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)C(C)(C)c2ccccc2)c(C)n1	776900814	QTZAKTBMMVVDTC-UHFFFAOYSA-N	312.373	1.832	50	20	DDGD	
CN(C)CC(=O)NN=CC(C)(C)[C@H](C[N+](=O)[O-])c1ccccc1	771099845	GCEGNKCTFOBGGN-CQSZACIVSA-N	320.393	1.737	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cc(Br)co1	883071177	QPCDXEROECGBGA-UHFFFAOYSA-N	317.139	1.230	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(C)C[C@@H]1CCCC[C@H]1O	778246914	SIGTTWKVRZWBPJ-MELADBBJSA-N	313.442	1.051	50	20	DDGD	
CCC(CC)(CNS(=O)(=O)CBr)C(=O)OC	885462009	KAOGZFPLNWTTJA-UHFFFAOYSA-N	316.217	1.238	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1c(C)cc(Cl)cc1C	885109368	OTXLERDDKVLKDX-UHFFFAOYSA-N	319.814	1.811	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1scnc1C1CC1	782171201	SJYGRFYUPCJEFX-LLVKDONJSA-N	322.434	1.439	50	20	DDGD	
CCCc1cc(C(=O)NNc2ccc(-n3ccnc3)nn2)n[nH]1	788179635	YIFIMOWCZZAUGJ-UHFFFAOYSA-N	312.337	1.095	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@H]1CCN2CCC[C@H]2C1	884957477	QZGUTTCXAQTBCY-RYUDHWBXSA-N	308.875	1.798	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)c1c[nH]c2cc(F)ccc12	880141222	OCMOVTZKXOHYLT-UHFFFAOYSA-N	303.293	1.437	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)C(=O)Nc1nocc1C	783410496	BOUGTKGLQINROZ-UHFFFAOYSA-N	317.305	1.083	50	20	DDGD	
O=S(=O)(CCCCl)N1CCC(O[C@@H]2CCOC2)CC1	881965215	VLTIJAIGFIMMMB-GFCCVEGCSA-N	311.831	1.215	50	20	DDGD	
CO[C@@]1(C(F)(F)F)CCCN(S(=O)(=O)CCCCl)C1	882105925	MORWNCIGEWBAPO-VIFPVBQESA-N	323.764	1.988	50	20	DDGD	
CCc1csc(NC(=O)C(=O)NNc2ccc(F)cc2)n1	789719677	FDQSVJHBMTVOTC-UHFFFAOYSA-N	308.338	1.926	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C[C@H]2NC(=O)c3ccccc32)n1	895557728	QTMVWGCDJNRUGE-CYBMUJFWSA-N	311.345	1.411	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@H]2CCCN2C2CC2)c1	787485610	OXCCVHZRPTWCFA-LLVKDONJSA-N	305.769	1.677	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1ccc2cncn2c1	786038919	IOPHOVBVMVWLTE-UHFFFAOYSA-N	308.341	1.728	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccn(-c2ccc(F)cc2C)n1	783041771	ICBHIYGOGXIBFV-UHFFFAOYSA-N	305.313	1.284	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)NC(C)(C)C)c2c(C)n[nH]c2n1	899995056	FKBGQGDEWJBIOD-UHFFFAOYSA-N	320.422	1.482	50	20	DDGD	
Cc1cnn(C)c1C=NNC(=O)[C@H](C)Oc1ccc(F)cc1	794878555	QMQFTKACAODHRU-NSHDSACASA-N	304.325	1.785	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(OCC2CC2)cc1	790167382	RFCBOWARSRSLOS-ZDUSSCGKSA-N	320.389	1.977	50	20	DDGD	
Cc1cc[nH]c1C(=O)NNC(=O)c1cc(Br)c[nH]1	797800025	VDJYXHHIQPZWSD-UHFFFAOYSA-N	311.139	1.489	50	20	DDGD	
CN(C)N(C(=O)C(F)=C1CCCC1)[C@H]1CCS(=O)(=O)C1	792849606	JSYNENRJHZOHMN-NSHDSACASA-N	304.387	1.276	50	20	DDGD	
C=C(CBr)CN(C)[C@H](COC(C)C)C(=O)OC	791471839	WSNFTMADLTZCGS-LLVKDONJSA-N	308.216	1.836	50	20	DDGD	
CNC(=O)NNC(=O)c1cn2cc(Cl)cc(Cl)c2n1	799578438	WGYYVONJACDUGY-UHFFFAOYSA-N	302.121	1.215	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H](c1ccccc1)n1cccn1	798306628	OUPQEBIPPLNZRW-CYBMUJFWSA-N	315.402	1.154	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1C[C@H]1c1cccc(OCC)c1	798111717	OFRZIMYLWXYTDA-UONOGXRCSA-N	321.377	1.308	50	20	DDGD	
CN1CCN(CCNC(=O)NNc2ccccc2)CC1(C)C	799682235	JEMATVSUKNTADR-UHFFFAOYSA-N	305.426	1.339	50	20	DDGD	
COC(=O)CN(C)S(=O)(=O)c1ccc(CCCl)cc1	37507446	FZTDZXQRTQYQRB-UHFFFAOYSA-N	305.783	1.261	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cnn(C)c1)c1ccc(F)cc1F	1319083946	AJIWIPDTBIFZPL-MRVPVSSYSA-N	308.288	1.263	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2ccc(O)c(O)c2)CC1	1317671594	LPQVGNHARHPFBX-UHFFFAOYSA-N	305.378	1.670	50	20	DDGD	
COC(=O)/C(C#N)=C\c1ccc(N2CCN(C)CC2)c(F)c1	1317910060	IAQHHIQIWCEFRT-LCYFTJDESA-N	303.337	1.657	50	20	DDGD	
COCc1nocc1C(=O)NNCC(F)(F)C(F)(F)F	1329653349	GQQKSDKTXQYCMQ-UHFFFAOYSA-N	303.187	1.253	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc(F)ccc1[N+](=O)[O-]	1322264057	DXNSHRBIGLKESZ-UHFFFAOYSA-N	300.315	1.251	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CSCc2cccs2)cn1	1328654779	XXJXZODKNQJKJA-UHFFFAOYSA-N	310.404	1.176	50	20	DDGD	
O=C(NNC(=O)c1cncc(OCC(F)F)c1)c1ccncc1	1322744795	UQKPZTBWKRCYKC-UHFFFAOYSA-N	322.271	1.195	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1(Oc2ccccc2)CC1	1328581634	RVRJYXUKRJFTJK-DGCLKSJQSA-N	304.346	1.170	50	20	DDGD	
Nc1cnnc(NNC(=O)NCCCC2(O)CCC2)c1Cl	1328789271	RSACOKKLJXPWEF-UHFFFAOYSA-N	314.777	1.034	50	20	DDGD	
O=C(CCc1nc[nH]n1)NNc1ccc(Br)nc1	1322471947	HBPDCRPVJZGDIQ-UHFFFAOYSA-N	311.143	1.038	50	20	DDGD	
Cc1c(C(=O)NCCCSC#N)cnn1-c1ccncc1	1329276838	PHHBJEYMAZSVQF-UHFFFAOYSA-N	301.375	1.910	50	20	DDGD	
N[C@H](C(=O)NNc1nc(-c2ccncc2)no1)C1CCCCC1	1326687168	AZLZOMKHGYCKCD-LBPRGKRZSA-N	316.365	1.482	50	20	DDGD	
CC(C)(C)c1nnc(NC(=O)C(=O)NNc2ccccn2)s1	1337662207	QXBQEAKOHGTZIJ-UHFFFAOYSA-N	320.378	1.312	50	20	DDGD	
CNS(=O)(=O)C1CCN(C(=O)C2CCC(Cl)CC2)CC1	1348440757	VIDJZQOZGZCLDA-UHFFFAOYSA-N	322.858	1.324	50	20	DDGD	
COCC[C@@H](C)CNC(=O)NNC(=O)c1ccc(OC)cc1	1261365472	PFXYBIJGKBXVAQ-LLVKDONJSA-N	309.366	1.312	50	20	DDGD	
CCNC(=O)N1CC[C@@H](NC(=O)C2CCC(Cl)CC2)C1	1346680832	BCTSKHNJOHJFJZ-HTAVTVPLSA-N	301.818	1.704	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2ccccc2OC)nn1C	1342098586	MZPLBBLGJPTUBC-UHFFFAOYSA-N	302.334	1.066	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NC[C@H]1CCCCN1C	1345393577	VSXWZEFHRQJDAU-CYBMUJFWSA-N	319.409	1.815	50	20	DDGD	
C=C(CC(C)C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	1350793391	GJAPOGPGOLQMLK-AWEZNQCLSA-N	304.346	1.576	50	20	DDGD	
Cc1ccc(NNC(=O)Nc2c(C(=O)O)cnn2C)cc1F	1607809795	DTCSIKBNXNPXEE-UHFFFAOYSA-N	307.285	1.714	50	20	DDGD	
N#Cc1ccccc1/C=C\C(=O)NNc1ccc(C(=O)O)cn1	1608221553	XJRLTQWELHDMLW-VURMDHGXSA-N	308.297	1.808	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1cccc(C(=O)O)c1)[C@@H]1CCOC1	1606675156	BOJFXYSHUYQGRU-YPMHNXCESA-N	323.349	1.062	50	20	DDGD	
O=C(NCCO[C@@H]1CC1(F)F)NNc1cccc(C(=O)O)c1	1608448294	NAWSDXHOYFOVBK-SNVBAGLBSA-N	315.276	1.435	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)c1ncc2c(F)cccn12	1602472411	DTKSFDWQTUHDAO-UHFFFAOYSA-N	314.276	1.929	50	20	DDGD	
C[C@@H](CBr)COC(=O)[C@H]1CC[C@@H](CCC(=O)O)O1	1604061189	RMGMZYRETIPZNY-LPEHRKFASA-N	323.183	1.973	50	20	DDGD	
O=C(O)[C@@H]1CCN(S(=O)(=O)CCCCl)[C@@H]2CCCC[C@H]12	1601829296	MLYRGWFCOCXSJC-IJLUTSLNSA-N	323.842	1.910	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1cc2n(n1)CCC[C@@H]2O	1608483110	RTNDCLBBJCOKCS-ZDUSSCGKSA-N	316.317	1.165	50	20	DDGD	
O=C(O)CCCNC(=S)NNC(=O)c1ccccc1Cl	1608714952	IWBIVIJLRZGVRF-UHFFFAOYSA-N	315.782	1.314	50	20	DDGD	
CC[C@](COC)(NC(=O)/C(C#N)=C\c1ccc(O)cc1)C(=O)O	1605050740	WKKUFEQMOJPRIG-IYCSXQJISA-N	318.329	1.295	50	20	DDGD	
Cc1cc(C)c(CC(=O)NNc2ccc(C(=O)O)cn2)c(O)n1	1600160084	ISCVOQULMJFFCY-UHFFFAOYSA-N	316.317	1.183	50	20	DDGD	
O=C(NN=Cc1cnon1)[C@H]1CCCO[C@H]1c1ccccc1	1549083783	NJYUPXUXEYDMQC-KBPBESRZSA-N	300.318	1.688	50	20	DDGD	
O=C(O)Cc1ccc(NC(=O)NNC(=O)C2CCC2)cc1F	1610793290	QELWLACXZNYIDP-UHFFFAOYSA-N	309.297	1.406	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1nc(C)cs1	1549684917	KLXSZSNNAASJHM-VXGBXAGGSA-N	308.407	1.155	50	20	DDGD	
CO[C@H](C=NNC(=O)[C@H]1CCCO[C@@H]1c1ccnn1C)C1CC1	1549314067	HHGNZQCAUQCFAL-CFVMTHIKSA-N	320.393	1.415	50	20	DDGD	
Cc1nnc(NNC(=O)C[C@H]2CCNc3ccccc32)nc1O	1579912854	SBKNKAQWZYUFOV-SNVBAGLBSA-N	314.349	1.318	50	20	DDGD	
CC1(C)CN[C@@H]1C(=O)NNC(=O)c1cc2c(s1)CCCCC2	1573614541	KYEDIXBLYLKGNW-CYBMUJFWSA-N	321.446	1.776	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@]2(C(F)(F)F)CCNC2)c1	1579832764	VQMYPWRTYOYDAG-LLVKDONJSA-N	321.324	1.360	50	20	DDGD	
CN[C@@H](CC(C)C)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	1578754081	HELQDRNIHOPZFF-HNNXBMFYSA-N	316.405	1.492	50	20	DDGD	
CO[C@@H]1CN[C@](C)(C(=O)NNc2ccc(C#N)c(Cl)c2)C1	1578948807	OZADSXXJFXPRJM-FZMZJTMJSA-N	308.769	1.422	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@]12CCCNC2)c1cc2c(s1)CCC2	1580733430	URCWKVAXHIWQHU-ZBEGNZNMSA-N	319.430	1.388	50	20	DDGD	
C=CC[C@@H](NNC(=O)CN1CCCc2ccccc21)C(=O)O	1588749054	DOJUVDSPTJLNFV-CYBMUJFWSA-N	303.362	1.089	50	20	DDGD	
NCCc1ccccc1C(=O)NNC(=O)c1ccc(Cl)nc1	1580316575	XMIIPAXYWMABJL-UHFFFAOYSA-N	318.764	1.311	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CNCC2)c1ccccc1	1580736283	RAWJTUHJDYASPL-UHFFFAOYSA-N	301.371	1.469	50	20	DDGD	
CC(C)[C@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843362388	RMUOSQOZUTUOGA-VHSXEESVSA-N	322.833	1.679	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)C2(C#N)CCC2)C1	1846976023	TYGVHPPXVDGVJE-GFCCVEGCSA-N	323.824	1.901	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H]1C[C@H]1F)C2	1845166362	QJSMVKCWNHPFKS-HBNTYKKESA-N	302.777	1.565	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@H](C)CC(=O)O)c1ccccc1	1589429024	CXKSOTOVOHJMBV-PWSUYJOCSA-N	307.350	1.374	50	20	DDGD	
O=C([C@H]1CCCCO1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843361853	VZWBXVSINGWLQW-GHMZBOCLSA-N	318.776	1.293	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(C(=O)O)cc1F	1588435034	AAKGNGUMTNZIBC-UHFFFAOYSA-N	307.281	1.480	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc(C(=O)O)co2)cc1	1599483564	CQHFQZHRTGVNLU-UHFFFAOYSA-N	304.258	1.061	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccc(C(=O)O)c(F)c1)N(C)C1CC1	1592676688	VJXQWFDFXSQQDR-VIFPVBQESA-N	324.356	1.633	50	20	DDGD	
N#C/C(=C\c1ccc(-c2nn[nH]n2)cc1)C(=O)C1CCOCC1	1592663157	UIBFOSXSUAYTEA-NTEUORMPSA-N	309.329	1.769	50	20	DDGD	
O=C(O)CC[C@@H]1C[C@H](C(=O)NNc2nc3ccccc3[nH]2)CO1	1595004303	JDWBHJPUCPRFGL-VHSXEESVSA-N	318.333	1.276	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNc2ccc(C(=O)O)cc2F)C1	1594695395	JTCLHRYITFOJFZ-SNVBAGLBSA-N	323.324	1.226	50	20	DDGD	
Cc1nc2ccc(C(=O)NNc3ncccc3C(=O)O)cc2o1	1594464117	DRERVLRPTLSSKU-UHFFFAOYSA-N	312.285	1.986	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=C1CCc2cccc(C(=O)O)c21	1776077829	FCMPHSPNXNEGRF-UHFFFAOYSA-N	310.313	1.674	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC#N)C2	1793680284	QCWUIKNTCGAGIV-YVECIDJPSA-N	311.813	1.946	50	20	DDGD	
CCO/C=C/C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl	1796810571	ZWJQPXWVOLQLOD-HKBLQRSXSA-N	318.776	1.709	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C/c1cnn(-c2ccccc2)c1	16881226	OYTSGHUIANBTMV-MGMWDDNKSA-N	310.357	1.930	50	20	DDGD	
Cc1ccc(F)c(OCC(=O)NNC(=O)NCc2ccco2)c1	165347038	KFTUCDTVMBSROP-UHFFFAOYSA-N	321.308	1.637	50	20	DDGD	
COc1ccc(C(=O)NNc2ncccc2[N+](=O)[O-])c(F)c1	152725482	BMXZUFVVAAYMFR-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
CC[C@@H](OC1CCCCC1)C(=O)NNC(=O)c1ccncc1	155097957	AXULBUYKTYDUNJ-CQSZACIVSA-N	305.378	1.971	50	20	DDGD	
CC(C)c1nc2ccc(NC(=O)NNC(=O)CCO)cc2s1	155909438	IGQJSYFBDJIQBK-UHFFFAOYSA-N	322.390	1.955	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](C)Cc2c(C)nn(C)c2C)nc1	159616580	QXDHTJJXKDGFOB-SNVBAGLBSA-N	317.393	1.762	50	20	DDGD	
O=C1NCCCC[C@H]1NS(=O)(=O)c1ccc(CCl)cc1	383543260	FEBLJAAHXRTYDE-GFCCVEGCSA-N	316.810	1.372	50	20	DDGD	
COC1CCC(N(C)S(=O)(=O)CBr)CC1	782443976	FRMNFBBOVYJQSP-UHFFFAOYSA-N	300.218	1.558	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(F)c(F)c1F)c1ccc[nH]1	7727326	ANSQXACASJPNQW-UHFFFAOYSA-N	319.264	1.055	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(C(=O)N(C)C)cc1	102866339	GKLOEZINRDMAKD-UHFFFAOYSA-N	306.366	1.133	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(C)c(C)c2O)n1	54146453	KDCPIQLQASYURE-UHFFFAOYSA-N	316.361	1.284	50	20	DDGD	
CNC(=O)NNC(=O)c1cccc(COc2ccc(C#N)cc2)c1	115344114	YPMDAXIMHCFQBK-UHFFFAOYSA-N	324.340	1.711	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(F)c(-n2nnnc2C)c1	171179153	DRTNRSPQHFZKBB-CSKARUKUSA-N	316.296	1.492	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)Cc2cn3ccccc3n2)s1	173892359	ULHKULWAFYLFOJ-UHFFFAOYSA-N	315.358	1.103	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)NCc2cc[nH]n2)cc1	174051574	RAECERGQNMBIDJ-UHFFFAOYSA-N	317.353	1.012	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C2CCOCC2)c1C	69754483	WALMNEYSHSNUOA-ZDUSSCGKSA-N	320.389	1.645	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2cccnc2C)cc1	170994739	YLBNEVPDHLFJDG-UHFFFAOYSA-N	314.345	1.272	50	20	DDGD	
CCc1nc([C@@H](C)NC(=O)NNC(=O)c2cnn(C)c2)cs1	117966923	FZQDTVWYOIHDAN-MRVPVSSYSA-N	322.394	1.144	50	20	DDGD	
C[C@H](Oc1cccnc1)C(=O)NNC(=O)c1cccc(C#N)c1	117651158	BSETUSIOTUBDDN-NSHDSACASA-N	310.313	1.182	50	20	DDGD	
CCCCNC(=O)NNC(=O)/C=C/c1ccc(OC)c(OC)c1	64426066	OCRHDLBEUUNTLM-VQHVLOKHSA-N	321.377	1.848	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc2c(c1)CCO2	67430650	QQGMAQLAGQKODR-UHFFFAOYSA-N	312.325	1.705	50	20	DDGD	
CC(=O)CCCC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	178093833	VOKQRGBAWLAZQT-NSHDSACASA-N	310.325	1.500	50	20	DDGD	
O=C(Nc1ccc(CNCc2cccc(B(O)O)c2)cc1)C1CC1	1352850488	ZWKZYYNNBVXKLU-UHFFFAOYSA-N	324.189	1.005	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)CN1C(=O)CCc2ccccc21	111606949	YXFXRQBHAGMUFO-UHFFFAOYSA-N	317.389	1.549	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cccc(COC)c1	171335637	ZUQWSACIZXHRFL-SNVBAGLBSA-N	300.380	1.189	50	20	DDGD	
COc1ccc(CCNC(=O)NNc2ncccn2)cc1F	170836106	ITRQHAYOUVQVBR-UHFFFAOYSA-N	305.313	1.493	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1cccn1C	302670016	WCLYSWOXSLPRFX-SNVBAGLBSA-N	321.764	1.907	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)c1Cl	184493053	LTUZLMCHQGWXRJ-UHFFFAOYSA-N	311.769	1.780	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Nc2ccc(F)cn2)c1	123319026	FABIIQWBHIVFOS-UHFFFAOYSA-N	318.308	1.761	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1ccnc(OCC(F)F)c1	124123780	JAQDAOUAFMOHJU-UHFFFAOYSA-N	310.260	1.128	50	20	DDGD	
CN(NC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1)C(N)=O	181088731	PUFMHKNURRSZAT-UWVGGRQHSA-N	301.268	1.851	50	20	DDGD	
O=C(CCc1cnn(-c2ccccc2)c1)NNc1ncccn1	124028776	UTMNORJFTUSNJW-UHFFFAOYSA-N	308.345	1.738	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ccncc1)N1C[C@@H](C)O[C@H](C)C1	180465474	YOPLHJYMGPWTDX-NFAWXSAZSA-N	306.410	1.659	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cccc3ncccc23)[nH]1	127224427	HNEOALJPWUFFGL-UHFFFAOYSA-N	305.297	1.509	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1ccc(C#N)cc1)[C@@H]1CCCO1	123972195	MLLGZJNIXRJWCV-KBPBESRZSA-N	316.361	1.460	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H](C)c2ncc(C)s2)nn1	184500045	DOVAFALLFCPOPW-MRVPVSSYSA-N	306.395	1.980	50	20	DDGD	
CCOCCC1(C(=O)NNC(=O)Cc2cc[nH]n2)CCCC1	186101728	KCTPRDJXOVXYOJ-UHFFFAOYSA-N	308.382	1.087	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cc(C)c(F)c(C)c2)n1	123925669	JBPVXUPDAYBUDB-UHFFFAOYSA-N	318.352	1.717	50	20	DDGD	
C[C@@H](CN1CCCCC1)NC(=O)NNc1ccc(Cl)nn1	127497503	DUUIVVZPJLSRQH-JTQLQIEISA-N	312.805	1.631	50	20	DDGD	
COCCCCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	123338641	SWOKLSLQQXEAGD-UHFFFAOYSA-N	316.361	1.654	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2cccc(F)c2C)n1	186332602	ROAVDSUPJHCEKY-UHFFFAOYSA-N	319.340	1.800	50	20	DDGD	
COCCC1(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)CC1	121426869	JEUHXQRSRJSOEY-LLVKDONJSA-N	324.352	1.557	50	20	DDGD	
Cc1nc(COc2cccc(C(=O)NN(C)C(N)=O)c2)cs1	181090846	LXBZUGFVIFSZAU-UHFFFAOYSA-N	320.374	1.686	50	20	DDGD	
O=C(NNc1ncccn1)N[C@H]1CCN(C2CCCCC2)C1=O	124011771	RVGJZNQSIAFBKK-LBPRGKRZSA-N	318.381	1.036	50	20	DDGD	
C=CCN1CCC(NC(=O)NNc2cccc(OC)n2)CC1	181309196	HGIYYABVMGIKRL-UHFFFAOYSA-N	305.382	1.367	50	20	DDGD	
Cc1ccnc(NC(=O)NNC(=O)COc2ccc(F)cc2)c1	184257902	FZFFMXFOHMBCJO-UHFFFAOYSA-N	318.308	1.761	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1ccc(CCCCl)cc1	72071277	FSAFGDLWWHSRLH-UHFFFAOYSA-N	320.798	1.797	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2c(F)ccc(F)c2F)n1	187601231	KTQQUAFVPRXCGY-UHFFFAOYSA-N	312.251	1.968	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)Cc2cccnc2)cc1	186381490	FTFCFKMFHGYBGM-UHFFFAOYSA-N	314.345	1.876	50	20	DDGD	
C=C(C)COCCNC(=O)NNC(=O)Cc1ccc(F)cc1	135000998	AAHMZBGSLIPWAV-UHFFFAOYSA-N	309.341	1.291	50	20	DDGD	
Cc1noc(C(C)C)c1C(=O)NNC(=O)NCc1ccco1	138972551	YSRKDNBVDDYRCW-UHFFFAOYSA-N	306.322	1.844	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccc2c(c1)OCCO2)C1CC1	43840340	BPOXKYNYNRDSJM-SECBINFHSA-N	305.334	1.200	50	20	DDGD	
Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NNC(=O)C(C)(C)O)c1	192917279	NYXVKCDAOSEDLX-LBPRGKRZSA-N	322.405	1.804	50	20	DDGD	
O=C(NNc1cnccn1)[C@H](O)c1cc(Cl)cc(Cl)c1	133320965	NWQPGGLYUVGZGK-LLVKDONJSA-N	313.144	1.960	50	20	DDGD	
Cc1ccc(OCCNC(=O)NNC(=O)c2ccc(C)o2)cc1	84140208	FXTAWGJFEDGWAM-UHFFFAOYSA-N	317.345	1.919	50	20	DDGD	
Cc1cccnc1NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	145375944	VFZAUXPFNQMXNN-UHFFFAOYSA-N	315.289	1.765	50	20	DDGD	
CC[C@H](CC(=O)NNC(=O)COc1ccccc1O)C(C)C	264447482	CNNLATNDTPPLHO-GFCCVEGCSA-N	308.378	1.991	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(C(C)(C)C)on1	266132416	GMAAYRIMFBZSFW-UHFFFAOYSA-N	324.381	1.038	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)N[C@H]1CCSC1	266586926	XYWFJFFTKCJOAH-LBPRGKRZSA-N	309.391	1.039	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](C)n2nnnc2C(C)(C)C)nc1	275546772	LQFHQIFBNQFEKH-VIFPVBQESA-N	319.369	1.079	50	20	DDGD	
Cc1ccc2c(c1)[C@@H](NS(=O)(=O)CBr)CO2	364689628	GCFNRZNTZMFMNI-VIFPVBQESA-N	306.181	1.700	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@@H]1CCCN1Cc1ccccn1	368008572	SXRSKUHRAWVVJQ-AWEZNQCLSA-N	315.352	1.723	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCC[C@@H](C)O)cc(C#N)n1C	279044607	CZGIFSGCGBMVMP-LLUUXILJSA-N	300.362	1.389	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CC2CC2)c(Cl)c1	274091262	UJAVDGSZXHQQFR-UHFFFAOYSA-N	309.753	1.534	50	20	DDGD	
Cc1cccc(CC(=O)NNC(=O)N2CCOCC2)c1Cl	276751625	GOEGAKIMYQHCCL-UHFFFAOYSA-N	311.769	1.264	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@H](C1CC1)C(F)(F)F	289170414	VCZUEZKXDSJRDA-SNVBAGLBSA-N	301.268	1.972	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)NC2CCCCC2)ccc1F	285015347	NZNNZCJIKMOYPU-UHFFFAOYSA-N	304.325	1.974	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	280855712	BVODQABDZFBEOH-ZUZCIYMTSA-N	312.341	1.556	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Cn1ccc2ccccc2c1=O	280189608	UTJNPRMZJNRTFZ-UHFFFAOYSA-N	301.346	1.195	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NNc1cccc(OC)n1	281752028	HXTSJDLVQYOPIA-RISCZKNCSA-N	306.366	1.698	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNC(=O)c1cccc(N(C)C)c1	288158618	PBURDWHSBRGIJY-NSHDSACASA-N	321.377	1.103	50	20	DDGD	
CN(CCC(=O)NNC(=O)c1cccnc1)C(=O)OC(C)(C)C	286342850	XKYSEBMVHKFXSD-UHFFFAOYSA-N	322.365	1.100	50	20	DDGD	
O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NNC(=O)CC1CC1	294016787	BWRCUJMTJQPXPK-UHFFFAOYSA-N	316.317	1.566	50	20	DDGD	
COc1coc(C(=O)NNC(=O)Nc2ccccc2)cc1=O	801986807	HKXUAQFENAGKHZ-UHFFFAOYSA-N	303.274	1.115	50	20	DDGD	
C[C@H]1Oc2c(cccc2C(=O)NNc2cccc(F)n2)NC1=O	804774016	ZHZCWCJYZBQFCR-MRVPVSSYSA-N	316.292	1.697	50	20	DDGD	
COC1(CNC(=O)NNc2nc3ccccn3n2)CCCC1	297607676	WLSIIVUMNYHTJZ-UHFFFAOYSA-N	304.354	1.315	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cccc(F)c1Br	292284655	IRWNEZSRKFPFSB-UHFFFAOYSA-N	301.115	1.759	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(C(F)F)n1	291612461	RGTRZDKNUCUVMU-FZPLPXEFSA-N	310.304	1.560	50	20	DDGD	
CCN(CC)CCSCC(=O)NNc1ncncc1F	294067416	QDQFCPGAPRNRBV-UHFFFAOYSA-N	301.391	1.134	50	20	DDGD	
CC[S@](=O)CC(=O)NNc1ccc(Br)c(F)c1	294958589	JSSMTNURIRFHNR-KRWDZBQOSA-N	323.187	1.800	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc(F)n1)c1nnc2ccccn12	804896885	APUUDGOGKFMOTE-SECBINFHSA-N	315.312	1.651	50	20	DDGD	
COC(=O)COc1cccc(C(=O)NNC(=O)C(C)(C)C)c1	298886452	UZWBTMHWDSRTAE-UHFFFAOYSA-N	308.334	1.046	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1cc(C2CC2)[nH]n1	804952827	VZGSHTKEFNVELQ-UHFFFAOYSA-N	310.321	1.020	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	294161360	IFFYQFWAXGFGFP-BJDJZHNGSA-N	308.403	1.875	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccnc(C(F)(F)F)c2)n[nH]1	808407563	AGCMNNJHDWMZDO-UHFFFAOYSA-N	313.239	1.207	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc(OC(F)(F)F)cc2)nn1	809719832	PUTGAENPRUGBBN-UHFFFAOYSA-N	301.228	1.471	50	20	DDGD	
C=CCCC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	802066195	JAJDZHCJHWPTJF-UHFFFAOYSA-N	311.363	1.209	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802099386	PUOLVUWGXWOWIO-NOZJJQNGSA-N	323.349	1.629	50	20	DDGD	
COC(=O)N(C)NC(=O)c1sc(N2CCCC2)nc1Cl	804121478	JBHOOLDEUUUFMI-UHFFFAOYSA-N	318.786	1.740	50	20	DDGD	
C#CC[C@@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1ccccc1	292505326	HFDSZFDNTHKMDR-KGLIPLIRSA-N	301.346	1.260	50	20	DDGD	
Cc1nn(C)c2cc(NC(=O)NNC(=O)[C@@H]3CCCO3)ccc12	297406607	MXPLOVIYLPBXSA-ZDUSSCGKSA-N	317.349	1.213	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cccc(C2OCCO2)c1	808855047	QQDUIHNRALGNST-UHFFFAOYSA-N	307.350	1.931	50	20	DDGD	
C[C@H](Oc1cccc(C=NNC(=O)[C@@H]2CCCS2)c1)C(=O)O	819826721	MPNQBTFJDQHDCZ-GWCFXTLKSA-N	322.386	1.884	50	20	DDGD	
COc1cc(C(C)=NNC(=O)COc2ccccc2F)on1	814722580	GGMPVRJGNKVVFA-UHFFFAOYSA-N	307.281	1.742	50	20	DDGD	
COc1ncc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)s1	812222863	RUBCPRRHRAOQOV-UHFFFAOYSA-N	306.303	1.824	50	20	DDGD	
O=C(NN=C[C@H]1CCCOC1)c1nn(-c2ccccc2)cc1O	814759608	JGAIQPDGBUAXDO-GFCCVEGCSA-N	314.345	1.720	50	20	DDGD	
C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1S(=O)(=O)CCl	817144000	QJRAVTSLIFFLFG-NXEZZACHSA-N	311.831	1.955	50	20	DDGD	
CCCC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccn1	814782462	WJNMYPCKJLBECU-NSHDSACASA-N	309.391	1.137	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)COc2ccccc2O)cn1	814953770	SIAGCEWOSQISPU-UHFFFAOYSA-N	302.334	1.528	50	20	DDGD	
C[C@@H](Cc1cnc2ccccc2n1)C(=O)NNc1cccnn1	816068107	KANNAJVABPOWRF-NSHDSACASA-N	308.345	1.742	50	20	DDGD	
COc1cc(C(C)=NNC(=O)c2ccc3c(c2)OCCO3)on1	814788593	BTQSOCCDKBRGPW-UHFFFAOYSA-N	317.301	1.608	50	20	DDGD	
O=C(NN=Cc1csc2ccccc12)[C@H]1CCS(=O)(=O)C1	812455541	LTROHMRKVQJGIG-JTQLQIEISA-N	322.411	1.786	50	20	DDGD	
O=C(O)CCNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	819490268	VLZCTCDYQQCCJB-UHFFFAOYSA-N	309.366	1.008	50	20	DDGD	
CN(NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CC1	819647280	KWGLUAFJCYYXGO-UHFFFAOYSA-N	301.306	1.520	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C1CCC1)N(C)C(=O)OC(C)(C)C	827216407	UUKVFZSZDHMPNM-LLVKDONJSA-N	313.398	1.579	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C)Cc1ccc(Cl)c(F)c1	828564635	UGJPCAKGWABIMW-UHFFFAOYSA-N	315.776	1.714	50	20	DDGD	
N#C/C(=C/c1cc(-c2nn[nH]n2)cs1)C(=O)N=c1cc[nH]cc1	826378851	BSEJZPOVRGKSQR-UITAMQMPSA-N	323.341	1.291	50	20	DDGD	
CCCN(NC(=O)c1c[nH]cc(C)c1=O)C(=O)OC(C)(C)C	497202570	NYORBYPOQQTRCH-UHFFFAOYSA-N	309.366	1.975	50	20	DDGD	
CN(C)CC1(C(=O)NNC(=O)c2cccc3ccccc23)CC1	820229072	TWWNXIRNLIEJHL-UHFFFAOYSA-N	311.385	1.943	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cc(F)c(F)cc1Cl	495443997	WCVFTMCYITYXNE-UHFFFAOYSA-N	321.667	1.334	50	20	DDGD	
CCN(CCO)NC(=O)c1nc(C)sc1Br	823884959	QFNLSWUMFXQHFZ-UHFFFAOYSA-N	308.201	1.173	50	20	DDGD	
C=CCNC(=S)NNC(=O)/C(C#N)=C/c1ccc(F)cc1	490813479	PQGCDKXULQAGSW-DHZHZOJOSA-N	304.350	1.414	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](CO)CCOC)cc1	491010732	MTJZLIBUXUCGGJ-LTBFUDJGSA-N	318.373	1.506	50	20	DDGD	
O=C(Nc1ccccc1CN1CCCC1)c1ccc(B(O)O)cc1	584927759	AWYQVVOGADGSKJ-UHFFFAOYSA-N	324.189	1.215	50	20	DDGD	
CCN(Cc1cccs1)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	827316037	YASLLJMAOBKCPI-PWSUYJOCSA-N	311.407	1.736	50	20	DDGD	
C=C(CI)n1cc(C(C)(C)NC)nn1	900641404	SAIBIIQSIVOKEX-UHFFFAOYSA-N	306.151	1.638	50	20	DDGD	
O=C(NNc1ccc(F)cc1)c1ccc(-c2nn[nH]n2)s1	823281222	OQOMCJADZMSPEM-UHFFFAOYSA-N	304.310	1.824	50	20	DDGD	
C[C@]1(C(=O)NNc2ccc(C(F)(F)F)cc2)CCNC1=O	821158518	LFWWHTONAGTXOR-LBPRGKRZSA-N	301.268	1.675	50	20	DDGD	
CSCC1CCC(NCc2ccc(B(O)O)cc2F)CC1	585042999	HCKCDUJSMIBTSN-UHFFFAOYSA-N	311.231	1.517	50	20	DDGD	
COC(=O)CSCCNC(=O)[C@]1(C)C[C@H]1Br	906582833	QOURBZJLBMKXHV-GMSGAONNSA-N	310.213	1.182	50	20	DDGD	
CCC(O)(CC)C(C)(C)CNC(=O)NNC(=O)c1ccc[nH]1	820103833	GKKSSBVEVZTGLS-UHFFFAOYSA-N	310.398	1.536	50	20	DDGD	
CS[C@@H]1CCC[C@@H]1c1nc(-c2cccc(B(O)O)c2)no1	585052375	KNXGFYDBWKZOBY-NWDGAFQWSA-N	304.180	1.416	50	20	DDGD	
N#Cc1cccc(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)c1	737723109	PRQRYUAGLBFGOY-UHFFFAOYSA-N	317.312	1.502	50	20	DDGD	
O=C(N1CC[C@H](B(O)O)C1)[C@@]12CC[C@@H](C[C@H]1Br)C2	585065774	KBPKEBQBFXNHQR-UXCLJVHYSA-N	316.004	1.015	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2nonc2C)c1C	736667571	PIYWVAQHFUWFJY-UHFFFAOYSA-N	305.363	1.626	50	20	DDGD	
CCS(=O)(=O)CC(C)=NNC(=O)C(C)(C)c1ccccc1	733747033	DSLUKMYUNFVDIB-UHFFFAOYSA-N	310.419	1.891	50	20	DDGD	
C[C@@H](O)C[C@H](CNCc1ccccc1B(O)O)c1ccccc1	585028730	PNFFDSNYZIKDTG-RHSMWYFYSA-N	313.206	1.011	50	20	DDGD	
CN1C[C@H](COC(=O)/C(C#N)=C\c2ccc(O)cc2)OC1=O	495663466	CSOUPTIKBMJCIH-TUOYRWMMSA-N	302.286	1.293	50	20	DDGD	
C[C@@H](NCc1cccc(B(O)O)c1)c1nc2c(s1)CCCC2	585024862	FPAVCQNOSKDNJX-LLVKDONJSA-N	316.235	1.553	50	20	DDGD	
C[C@H](NCc1ccccc1B(O)O)[C@H]1OCCc2sccc21	585042413	CTQKKRQYXKNFIS-MEDUHNTESA-N	317.219	1.220	50	20	DDGD	
CC(C)(CNC(=O)c1ccc(B(O)O)c(F)c1)C1=CCCC1	585001033	TYKKFQALNOEQOG-UHFFFAOYSA-N	305.158	1.372	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cc(Br)c[nH]1	834931176	BJOVOFLTXLNGLD-UHFFFAOYSA-N	315.215	1.959	50	20	DDGD	
O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)NCB(O)O	585060593	HMHTVFYQUCRIGU-SOFGYWHQSA-N	305.139	1.696	50	20	DDGD	
C[S@](=O)C1(CNC(=O)[C@@]2(C)C[C@H]2Br)CCC1	907955952	YBYCNOSWDPXSRP-DRGRQASISA-N	308.241	1.577	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)C(=O)NNC(=O)Cc1ccc(F)cc1	837311998	HDIWMGNBRCZPDV-NSHDSACASA-N	318.352	1.128	50	20	DDGD	
OB(O)c1cccc(-c2noc([C@@H]3CCCCC3(F)F)n2)c1	585052594	RMRHLIPEKVNULF-NSHDSACASA-N	308.093	1.709	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2cccc3c2OCO3)ccn1	731561311	YWLDDCZBBANRCR-UHFFFAOYSA-N	312.329	1.640	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CC2(F)F)c2ccccc2n1	831712814	IIUVZTIFBQOMOG-LLVKDONJSA-N	305.284	1.959	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@H]1C[C@@]12CCc1ccccc12	584910930	FFUNSRYKFYFDLF-SJLPKXTDSA-N	307.158	1.209	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@@H]1CCN2CCC[C@@H]2C1	837596773	PFRQKEKDMBVFHI-GHMZBOCLSA-N	311.336	1.613	50	20	DDGD	
O=S(=O)(CBr)N[C@H](CO)C1CCCCC1	386278820	QKSPOQKUNJVOAV-SECBINFHSA-N	300.218	1.199	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)c(O)c1	839550907	PWAXMBCLLNDYDS-WCQGTBRESA-N	302.330	1.077	50	20	DDGD	
CC(C(=O)OCC(=O)NNC(=O)c1ccccc1)=C1CCC1	838229426	BCYWZQWQANLDSS-UHFFFAOYSA-N	302.330	1.491	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)c1nc(-c2ccc(B(O)O)cc2)no1	585051104	UJRBFCPXYUYGQZ-MRVPVSSYSA-N	313.122	1.173	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C	730073560	OEQNJUTXQPQARB-SNVBAGLBSA-N	315.439	1.128	50	20	DDGD	
Cc1nc(Cl)ccc1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	831753142	JHYXVVFHDMFDHB-IUCAKERBSA-N	312.757	1.621	50	20	DDGD	
CCc1ncncc1C(=O)NN=c1sc2ccccc2n1C	916031272	SDNHTQRXCKQVHP-UHFFFAOYSA-N	313.386	1.838	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1C	831588992	PYBWMQQQWOKZID-SMDDNHRTSA-N	319.361	1.775	50	20	DDGD	
CC(C)S(=O)(=O)CC(=O)NNc1nccc2sccc12	734248083	KMMXFUVLSJYQKX-UHFFFAOYSA-N	313.404	1.563	50	20	DDGD	
COC(=O)[C@H](C)CSCC(=O)NNC(=O)c1ccc(C)cc1	734368948	USFFIGBJAOQWHG-LLVKDONJSA-N	324.402	1.298	50	20	DDGD	
CC(=NNC(=O)CC(F)(F)F)c1cccc(-n2cnnn2)c1	917550665	JUQDLMCOFKYCGN-UHFFFAOYSA-N	312.255	1.455	50	20	DDGD	
Cc1cc(C#N)cc(NC(=O)NNC(=O)[C@@H]2CCCCO2)c1	836770811	GUAUACDNJSRNRC-ZDUSSCGKSA-N	302.334	1.589	50	20	DDGD	
Cc1cccc2c1CC(C)(C)N(CC(=O)NNC(=O)C(C)C)C2	830754577	HYRMQCFBQQWWQJ-UHFFFAOYSA-N	317.433	1.935	50	20	DDGD	
CCCN1C[C@H](C(=O)NNc2ncnc3ccsc23)CC1=O	839705989	QLOCEDQIUDGBNO-SECBINFHSA-N	319.390	1.393	50	20	DDGD	
COC(=O)COc1ccc(N(C)S(=O)(=O)CCl)cc1	831090759	IVXTVAOJUODEPA-UHFFFAOYSA-N	307.755	1.201	50	20	DDGD	
N#CC(C#N)=CNNC(=O)c1cc(Br)ccc1O	743247246	OKHYFQJMXLQXGA-UHFFFAOYSA-N	307.107	1.320	50	20	DDGD	
CN(C(=O)CNC(=O)NNC(=O)C(C)(C)C)C1CCCCC1	748667330	WTHQHYQRELXXKK-UHFFFAOYSA-N	312.414	1.154	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(OC(C)(C)C)cn1	843657104	BZFXDRYQZZVCQH-JQWIXIFHSA-N	321.377	1.445	50	20	DDGD	
COC(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1	844128990	LABNDRUWEURRFD-JTQLQIEISA-N	315.370	1.411	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNC(=O)C1CCCC1)c1cccs1	915898171	UGHQPBUMUGCCGU-LBPRGKRZSA-N	324.450	1.871	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccc(Cn3cncn3)cc2)cc1	748115004	PMPLYFOKIBNMBA-UHFFFAOYSA-N	318.340	1.955	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21	916362004	GXFNVYRFPFSQRW-LJIZCISZSA-N	319.449	1.883	50	20	DDGD	
Cc1nn2c(C=NNC(=O)[C@H]3CCO[C@@H]3C)c(C)nc2s1	842560729	HINVWDFZXYPYSV-SCZZXKLOSA-N	307.379	1.283	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)c2nnc(-c3ccccc3)o2)o1	743436847	ZXHWQYKASDPCEL-UHFFFAOYSA-N	307.269	1.965	50	20	DDGD	
NNC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1	841819310	GBQCNMTTXXMJGM-NSHDSACASA-N	302.300	1.453	50	20	DDGD	
C[C@@H](CC(=O)c1ccccc1F)C(=O)NNc1ncccn1	742520886	GCGXRGJGOFRJAZ-JTQLQIEISA-N	302.309	1.968	50	20	DDGD	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)NNc1ncccn1	913043956	AUQZHHRHCMHJPO-UHFFFAOYSA-N	312.333	1.142	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C(=O)OC(C)(C)C)C(C)C	843759811	NDMIZGBPPJWUQA-GFCCVEGCSA-N	300.399	1.794	50	20	DDGD	
O=C(NNc1ccc(Cl)c(F)c1)[C@@H]1CC(=O)N(C2CC2)C1	746695612	NAJFMFSUDPAGDV-MRVPVSSYSA-N	311.744	1.933	50	20	DDGD	
O=C(NN=Cc1csc(-c2ccccn2)n1)N1CCOCC1	745590876	JTFWHPSKLJADDN-UHFFFAOYSA-N	317.374	1.581	50	20	DDGD	
C[C@@H](CC(=O)c1ccccc1F)C(=O)NNC(=O)c1ccc[nH]1	742490394	WGOGTVHEERHLJY-JTQLQIEISA-N	317.320	1.824	50	20	DDGD	
O=C(NC1CC1)[C@@H](NNC(=O)[C@H]1CCCCO1)c1ccccc1	842150292	CNMGYMWCEMCBMU-CABCVRRESA-N	317.389	1.196	50	20	DDGD	
Cc1cnc(CCNC(=O)/C(C#N)=C/c2cnn(C)c2)c(C)c1	848295267	YTIJKPPKAXGWSM-VIZOYTHASA-N	309.373	1.698	50	20	DDGD	
O=C(NNc1ncccc1C(F)(F)F)[C@H]1CCCS1(=O)=O	848371031	GSSQDZJMJZXGPP-MRVPVSSYSA-N	323.296	1.121	50	20	DDGD	
CC[C@H](NC(=O)NNc1nccc(OC)n1)C1CCOCC1	746427008	XMRBNTSYBUORRM-NSHDSACASA-N	309.370	1.317	50	20	DDGD	
COc1ccc(Cl)cc1C(C)=NNC(=O)C(=O)N1CCCC1	748137015	ZZEAJMFCDSSGOP-UHFFFAOYSA-N	323.780	1.811	50	20	DDGD	
CCC(=NNC(=O)CCN1CCCCCC1)c1cnn(C)c1	741811713	ANWUQULFYCCSJE-UHFFFAOYSA-N	305.426	1.917	50	20	DDGD	
O=C(NN=Cc1ccc(O)c(O)c1)c1nnc(-c2ccccc2)o1	920382755	NRNUQEWXTOBMNR-UHFFFAOYSA-N	324.296	1.912	50	20	DDGD	
C[C@H]1COC[C@H]1NC(=O)NNC(=O)c1cccc2ccccc12	926001817	BIKCWGWTFJCZDO-XHDPSFHLSA-N	313.357	1.819	50	20	DDGD	
Nc1c(F)cc(Cl)cc1C(=O)NNC(=O)C1CCOCC1	923057444	HPXDJDKUGWISAQ-UHFFFAOYSA-N	315.732	1.249	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)SC1CCC2(CC1)OCCO2	849940020	GSWQNIJDZVFFLR-JTQLQIEISA-N	316.423	1.351	50	20	DDGD	
COc1ccc(SCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	843649531	WKFQEVWDPFYIAH-GWCFXTLKSA-N	324.402	1.360	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)Cn2cccn2)c(C)c1	920430894	HSOLGZZIRCFBQW-UHFFFAOYSA-N	303.391	1.518	50	20	DDGD	
CCN(CC(=O)NNC(=S)N[C@@H](C)C1CC1)c1ccccc1	855102604	KQEHMEMUZWNRGS-LBPRGKRZSA-N	320.462	1.807	50	20	DDGD	
C[C@]1(CNC(=O)c2cnn3ncccc23)C[C@@H]1Br	857394947	PWPZPYBJRBDSPK-CMPLNLGQSA-N	309.167	1.633	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)c2cc(C)[nH]n2)C[C@H]1C	758119685	UACAPLOTFCFANB-BXKDBHETSA-N	306.366	1.803	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc(F)cc1OCC#N	757682494	LOFUURJLZKVSQT-UHFFFAOYSA-N	308.313	1.927	50	20	DDGD	
CC[C@@H](Cc1ccccc1)N(C)C(=O)NNC(=O)c1cn[nH]c1	858705136	WNSDREZGJWGLNS-AWEZNQCLSA-N	315.377	1.717	50	20	DDGD	
CC(C)c1nnc(C(=O)NNC(=S)N[C@H](C)C2CC2)s1	855097236	MBOZMNCAKJTNOD-SSDOTTSWSA-N	313.452	1.569	50	20	DDGD	
COC(=O)COc1ccc(C(=O)NNc2cc(C)ccn2)cc1	755847429	SAENEPPPLYDLTD-UHFFFAOYSA-N	315.329	1.699	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)[C@H]1CCCS1(=O)=O	928337418	CVLMONGLRHGQHI-LLVKDONJSA-N	302.783	1.669	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	921149190	OQVJILMJWNNVMV-LLVKDONJSA-N	322.361	1.446	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2cn(C)nc2C)n1	755490937	URKUSDYLSVDHSE-UHFFFAOYSA-N	318.406	1.378	50	20	DDGD	
CCn1cc(Br)cc1C(=O)NN(C)C(=S)NC	854925786	MMQGRNMUWDKQGR-UHFFFAOYSA-N	319.228	1.351	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cccc(C(=O)NCC)c1	929385012	CFANWHQPOCXUAR-UHFFFAOYSA-N	316.361	1.393	50	20	DDGD	
C[C@@H](O)c1ncc(C(=O)NNC(=S)NCC2CCC2)s1	855090279	SLSVFESDGNIRAO-SSDOTTSWSA-N	314.436	1.105	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1C(=O)NN(C)C(=S)NCCCOC	854286389	ZKDOAPYBDHTQME-NEPJUHHUSA-N	301.456	1.687	50	20	DDGD	
CO[C@@](C)(C(=O)OC(C)(C)C)C(=O)N(C)CC(Cl)Cl	854478504	HXMWCDSJGSLJAD-GFCCVEGCSA-N	314.209	1.995	50	20	DDGD	
COC[C@H](C)Oc1ccc(C=NNC(=O)c2ncccn2)cc1	853359039	ILVBWRKISJVZLI-LBPRGKRZSA-N	314.345	1.654	50	20	DDGD	
CCC[C@H](O)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	929367031	QISOVUSRTNBGGD-NSHDSACASA-N	310.419	1.939	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cn[nH]c1)c1cccc(C2CC2)c1	858496195	PJTIFEPVFNQRTC-JTQLQIEISA-N	313.361	1.992	50	20	DDGD	
C[C@@H]1CCOCCN1C(=O)NC[C@]1(C)C[C@@H]1Br	856903284	NJVPGDSFZYVOEC-SCVCMEIPSA-N	305.216	1.980	50	20	DDGD	
Cc1csc(CCNC(=O)NNc2ncc(Cl)cn2)n1	856840911	WYNKCKFGVNTCBR-UHFFFAOYSA-N	312.786	1.764	50	20	DDGD	
COCCOc1cccc(CC(=O)NCCCSC#N)c1	854361612	GYKTYRKEZYRGIF-UHFFFAOYSA-N	308.403	1.975	50	20	DDGD	
C/C=C(\C)C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1	750895789	IXJBWGKHJSACMQ-YCRREMRBSA-N	310.737	1.610	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc3c(c2)nc(O)n3C2CC2)ncn1	857126772	DOMWZZKDFQYYKM-UHFFFAOYSA-N	324.344	1.932	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1cnc2c(c1)COCC2	757929388	SANCCWZGPOEIEO-UHFFFAOYSA-N	313.317	1.016	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccc2nccn2c1	855091164	DUPKTYXYDHOWJP-UHFFFAOYSA-N	303.391	1.243	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H]1CC(=O)N(C2CC2)C1	751168883	NGCHHMRTZJXBMJ-SECBINFHSA-N	320.301	1.520	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](C)CCC(C)(C)C	755406733	XVHMBOITHHYOAA-LLVKDONJSA-N	313.442	1.901	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2cccc(Cl)c2)ncn1	757758609	IWDWNELBKWEDBC-UHFFFAOYSA-N	321.724	1.605	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)c1ccc(OC)c(OC)c1	751540310	GJSPAVNEFGDLOZ-JTQLQIEISA-N	310.350	1.280	50	20	DDGD	
CCOCc1cc(C=NNC(=O)c2cc[nH]n2)ccc1OC	853392434	KYRRNLACBLMTCV-UHFFFAOYSA-N	302.334	1.719	50	20	DDGD	
C[C@@H]1OCC(=NNC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)[C@H]1C	853373955	UTMPJGHIILBCML-CIQGVGRVSA-N	320.393	1.415	50	20	DDGD	
CCn1nccc1C=NNC(=O)C(=O)Nc1ccc(C)c(C)c1	753695778	RWYGNTWORQEFGJ-UHFFFAOYSA-N	313.361	1.609	50	20	DDGD	
Cc1ccc([C@@H](C)[C@@H](O)C(=O)NNC(=O)c2cccn2C)cc1	764634246	VVZWSOZZXIESOR-IUODEOHRSA-N	315.373	1.259	50	20	DDGD	
CCN(CC)c1ncc(C=NNC(=O)Cc2cc(C)[nH]n2)s1	767403793	PQJMYYKSGYXLGO-UHFFFAOYSA-N	320.422	1.714	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2cnn3cccnc23)c1	768711850	YDBRFDOGAQUVJM-UHFFFAOYSA-N	313.708	1.406	50	20	DDGD	
CC(=NNC(=O)C(N)=O)c1ccc2ccccc2c1OC(F)F	866695743	BIBACQSUIMXUFQ-UHFFFAOYSA-N	321.283	1.767	50	20	DDGD	
CCCN(NC(=O)[C@H](CC)NC(C)=O)C(=O)OC(C)(C)C	868289017	IADFCIPBLKFULC-NSHDSACASA-N	301.387	1.579	50	20	DDGD	
CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NN=c1cc[nH]c(C)c1	862509722	SKTRLOIUWANQJQ-KRWDZBQOSA-N	324.384	1.228	50	20	DDGD	
Cc1c(NNC(=O)c2c([N+](=O)[O-])cnn2C)cccc1[N+](=O)[O-]	767094198	UCKKIKOWKGCSGQ-UHFFFAOYSA-N	320.265	1.302	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1csc(NC2CC2)n1	769098569	NMVJPLJWBSULGK-UHFFFAOYSA-N	310.770	1.918	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cc2n(n1)CCCC2	863101920	NGWIFUPHFDZHPF-UHFFFAOYSA-N	312.242	1.651	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)[C@H]1CCSC1	762130028	FZBKFJQDQFVCDT-VIFPVBQESA-N	315.489	1.539	50	20	DDGD	
CC[C@@]1(C)CCN(CC(=O)NNC(=O)Cc2ccccc2C)C1	766943203	WQRSHJDVYBPJPE-SFHVURJKSA-N	317.433	1.807	50	20	DDGD	
COc1ccc(CCC=NNC(=O)[C@@H]2CCC(=O)N2)c(C)c1	863152039	CMQRWZLIJHOGPH-AWEZNQCLSA-N	303.362	1.317	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1C#N)c1cscn1	767896837	KVLAOUATKQJVER-UHFFFAOYSA-N	300.343	1.934	50	20	DDGD	
Cc1ccc2c(c1)CCC2=NNC(=O)CNC(=O)c1cccnc1	763203895	FUVBPYDSOZNXHE-UHFFFAOYSA-N	322.368	1.587	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C2CCNCC2)cnc1Cl	1117954541	BXBUBGUIEYPRRW-UHFFFAOYSA-N	311.773	1.196	50	20	DDGD	
CC(C)=CC(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1	766052981	MSWOKEWNAMYBPH-UHFFFAOYSA-N	310.737	1.610	50	20	DDGD	
COC(=O)c1ccc(/C=C\C(=O)NNC(=O)CC(F)(F)F)o1	869019536	DAXGOKITIGEHJR-HYXAFXHYSA-N	320.223	1.179	50	20	DDGD	
CCc1cnccc1C(C)=NNC(=O)[C@H](C)CN1CCOCC1	765569203	GZXHCKHICPKKSO-CYBMUJFWSA-N	318.421	1.453	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cccnc1Br	762099679	SMHXXXBMMODEFA-UHFFFAOYSA-N	312.102	1.530	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2c(C)cccc2F)n1	763432607	YIYRURVBWSNDEK-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
Cc1ccc(F)c(C=NNC(=O)CNC(=O)c2cccnc2)c1	763192516	GMMVUKVMFGLBGL-UHFFFAOYSA-N	314.320	1.409	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cc3c(s2)CCC3)ccn1	1115852946	SVWWMSJWSHZVKW-UHFFFAOYSA-N	317.370	1.715	50	20	DDGD	
O=C(N=c1cc[nH]cc1Br)NNc1ncccn1	775696899	FOWVYMBWOZKLHP-UHFFFAOYSA-N	309.127	1.205	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(O)nc2c(F)cc(C)cc12	778648406	ANGXTGNZNGOALP-UHFFFAOYSA-N	306.297	1.352	50	20	DDGD	
COc1ccc2nc(NNC(=O)CCNC(N)=O)c(C)cc2c1	778483069	NIFLADQEWFVYIT-UHFFFAOYSA-N	317.349	1.053	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)NC2CCCC2)c(F)c1	772509879	KXVKBSYFXGHPOZ-UHFFFAOYSA-N	323.324	1.499	50	20	DDGD	
CCC1(O)CCC(NC(=O)NNC(=O)c2ccc(C)o2)CC1	772080917	FEHHNNRXXRZNSE-UHFFFAOYSA-N	309.366	1.616	50	20	DDGD	
Cc1c(C(=O)NNC(=S)Nc2ccccn2)cnn1C(C)C	874956003	HUNVEZNFHPHLBV-UHFFFAOYSA-N	318.406	1.799	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccc(C(C)(C)C)nn2)cn1	1119313003	ODPFIVYVIGWAMU-UHFFFAOYSA-N	318.381	1.374	50	20	DDGD	
COc1nc(C)ccc1C(=O)NNC(=O)Cc1ccccc1F	776900785	WELLQGRWIGMGOO-UHFFFAOYSA-N	317.320	1.541	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCCOC[C@@H]1CCCO1	771323495	JZGBNGNBTGOCCP-LBPRGKRZSA-N	311.357	1.956	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNc1ccccc1OC(F)(F)F	779210982	WYIDKRLVRRFUFU-QMMMGPOBSA-N	319.283	1.943	50	20	DDGD	
CC[C@@H](F)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	1120622927	VOLABCBAIZSESJ-SECBINFHSA-N	310.297	1.874	50	20	DDGD	
CC(=O)Nc1ccc(CCNS(=O)(=O)CCCCl)cc1	881862822	FRPUWYIXXDKFQX-UHFFFAOYSA-N	318.826	1.736	50	20	DDGD	
Cn1nccc1[C@@H]1CCCN(S(=O)(=O)CCCCl)C1	882165316	VQGFRYREUBVGOZ-LLVKDONJSA-N	305.831	1.558	50	20	DDGD	
CCc1nnc(S[C@@H](C)C(=O)NNC(=O)CC(C)C)o1	882329703	HPVVUFHZORTVEC-QMMMGPOBSA-N	300.384	1.306	50	20	DDGD	
Cc1nc(C(C)C)ncc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	880405776	OMSLYNCMNSVZLJ-WDEREUQCSA-N	306.366	1.094	50	20	DDGD	
CN(NC(=O)c1cn(C)nc1-c1ccc(Cl)s1)C(N)=O	789836452	ONJFIGGXKNRFHB-UHFFFAOYSA-N	313.770	1.457	50	20	DDGD	
CC(=O)NC1CCC(C(=O)NNC(=O)c2cc(C)cs2)CC1	1121226742	LJPUCXYRGQPHRT-UHFFFAOYSA-N	323.418	1.512	50	20	DDGD	
CS(=O)(=O)Nc1ccc(NC(=O)NN=c2cc[nH]cc2)cc1	782048348	RNRSVAQZWLPOIM-UHFFFAOYSA-N	321.362	1.024	50	20	DDGD	
Cn1nnc(NC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)n1	889629435	ZQIUSEUMWLPALX-MHYGZLNHSA-N	300.160	1.102	50	20	DDGD	
O=S(=O)(CCCCl)NCc1cnn(CC(F)(F)F)c1	881992658	IPPRGGRBUXCHKU-UHFFFAOYSA-N	319.736	1.494	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H]1CCN(c2ccccn2)C1	882013586	ORWCADHBZBUAME-LLVKDONJSA-N	303.815	1.209	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C)[C@@H](C)O	789940024	VPDWDVTZERMCEO-RDBSUJKOSA-N	322.405	1.625	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN(c2ccccc2)C1)C1CCOCC1	883070776	CVYSQXABOWUWDY-AWEZNQCLSA-N	317.389	1.087	50	20	DDGD	
Cc1ccncc1[C@H](C)NCC(=O)NNC(=O)c1ccccc1	782999272	OFBSUWLKRQNREB-ZDUSSCGKSA-N	312.373	1.502	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCCOc1cccc(F)c1	899082336	MVUFAVUVMUVDNE-UHFFFAOYSA-N	311.357	1.971	50	20	DDGD	
COC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)/C(C#N)=C/C1CC1	786665826	JAOOCFOBVHADMS-BWODNOAJSA-N	322.361	1.093	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ccc(C)nn2)c(C)c1	783950692	DBPIJFGGDHBUSL-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCCOc2cc(F)ccc21	781592120	BHBCFUJEEXLMBM-NSHDSACASA-N	324.352	1.870	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cc2ccccc2[nH]1	788428037	JZQTZKDKCJNRBD-UHFFFAOYSA-N	300.362	1.923	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc(Cl)nc1Cl	894104244	YOTQCMSCATXNKQ-UHFFFAOYSA-N	318.160	1.576	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2CC(c3ccccc3)=NO2)n1	794090270	QAVLCTXGBIVGFW-HNNXBMFYSA-N	324.340	1.344	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@H]1CC12CCSCC2	899998556	SGDLENUXZCMJOY-VIFPVBQESA-N	301.481	1.814	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CSCc2ccccn2)n1	794079674	CNPVSPKVINVFPP-UHFFFAOYSA-N	316.386	1.479	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc[n+]2[O-])c2ccccc2n1	799009731	JZSHKPVCYRIVOH-UHFFFAOYSA-N	322.324	1.251	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)CCCOC(C)(C)C)n1	794620753	UZXJGGPIYHYNSU-UHFFFAOYSA-N	310.398	1.243	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cccc2cnccc12	798316880	XXQMADRGYSEXFL-UHFFFAOYSA-N	312.251	1.741	50	20	DDGD	
CC1(C)CC(C(=O)NNC(=O)CNC(=O)c2cccs2)C1	795959943	WVSLXUBOMXOFIY-UHFFFAOYSA-N	309.391	1.062	50	20	DDGD	
Cc1ccncc1[C@H](C)NC(=O)NNc1nc2ccccn2n1	790451847	LMIIFTGVPGMGSX-NSHDSACASA-N	311.349	1.820	50	20	DDGD	
COCCN(CC(=O)NNC(=O)C(C)(C)C)[C@@H]1CC[C@H](C)C1	792463428	IPIZLICLYYOUGP-QWHCGFSZSA-N	313.442	1.317	50	20	DDGD	
Cc1cccnc1NNC(=O)CNC(=O)c1cc2ccccc2[nH]1	791225653	QGIXXAAPEMLUSC-UHFFFAOYSA-N	323.356	1.744	50	20	DDGD	
O=C(NNC(=S)NCCCCC(F)(F)F)c1ccccn1	794967057	BVHALOQKXWIJEJ-UHFFFAOYSA-N	320.340	1.923	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1SCCc2ccccc21	798306922	YYKZPXQPLWISBH-LBPRGKRZSA-N	307.444	1.698	50	20	DDGD	
COc1ccc(C#N)cc1NC(=O)NNc1nc2ccccn2n1	792280992	SMYFHVSHLNAVPK-UHFFFAOYSA-N	323.316	1.758	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=C2CCC23CCOCC3)cc1	799868490	PGUIJEMJIIPTMW-UHFFFAOYSA-N	313.357	2.000	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)CNc1ccc(C)cc1C	794907531	XQKGCYWJUKUMTM-BLLLJJGKSA-N	321.421	1.924	50	20	DDGD	
CC(C)n1ccc(NC(=O)NNc2nc3ccccn3n2)n1	797680515	KLOAWNSKZNZEJK-UHFFFAOYSA-N	300.326	1.655	50	20	DDGD	
Cc1nn(CCO)c(C)c1C=NNC(=O)c1cccc(Cl)c1	1083987918	YRNFQEXOHWCJHI-UHFFFAOYSA-N	320.780	1.910	50	20	DDGD	
C[C@H](Cl)C(=O)N[C@@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C	1887504304	ONJQLDVKCFQZBK-BQBZGAKWSA-N	312.761	1.685	50	20	DDGD	
CNC(=O)c1cccc(C(=O)OC[C@H](C)CBr)n1	1325677023	WZFNZCPNNOBAKE-MRVPVSSYSA-N	315.167	1.629	50	20	DDGD	
COc1cc(C=NNC(=O)c2sc(N)nc2C)ccc1F	1320165260	NYUMJGUJENSOAM-UHFFFAOYSA-N	308.338	1.945	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Nc2ccn(C(C)C)n2)cc1	1321268296	PHNHQBGXQMVIIH-UHFFFAOYSA-N	317.349	1.939	50	20	DDGD	
Cc1ccccc1C(F)(F)C(=O)NNC(=O)c1cccnc1	1320344573	NCJMVPBEXGINHA-UHFFFAOYSA-N	305.284	1.943	50	20	DDGD	
C=CCOc1cccnc1C(=O)NNc1nncc(N)c1Cl	1320625511	HFJNAOBRXGKTEC-UHFFFAOYSA-N	320.740	1.429	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CCc2cn(C)nc2C)n1	1322302321	ZDKWUKSLEXEBHF-UHFFFAOYSA-N	308.773	1.556	50	20	DDGD	
O=C(CCl)N1CCN(C(=O)c2c(F)cccc2F)CC1	1324707454	WKDDZLFYJMKHGQ-UHFFFAOYSA-N	302.708	1.488	50	20	DDGD	
CCN1CC[C@@H](NS(=O)(=O)c2ccc(CCl)cc2)C1=O	708627799	BWIQLRFJKIMNOT-GFCCVEGCSA-N	316.810	1.325	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNc2nncc(N)c2Cl)c(F)c1	1320684163	OCMVMXYRBMDRNX-UHFFFAOYSA-N	323.715	1.811	50	20	DDGD	
N#Cc1ccc(N2C[C@@H](C(=O)NNc3ccccn3)CC2=O)cc1	1254245118	GIUHMGJFWBGJSV-ZDUSSCGKSA-N	321.340	1.449	50	20	DDGD	
Cc1cc(C)c(NNC(=O)N[C@@H](C)c2nnnn2C)c(C)c1	1263759477	COTKWPXDUYVKCW-NSHDSACASA-N	303.370	1.523	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CCC[C@@H](F)C2)n1	1349081892	MPRVTFIRCJQALG-VXGBXAGGSA-N	311.361	1.111	50	20	DDGD	
CC[C@@H](C)[C@H](CNC(=O)NNc1nncc(N)c1Cl)OC	1261285139	RZDZQWNUBGNPNS-APPZFPTMSA-N	316.793	1.399	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H]1F)c1cccc(Br)c1	1347471521	MAGKQIYJRJMCOF-IUCAKERBSA-N	301.115	1.568	50	20	DDGD	
COCCn1cc(C(=O)OC[C@]2(C)C[C@@H]2Br)cn1	1526043665	BXUFYHPDYYKMBD-JQWIXIFHSA-N	317.183	1.860	50	20	DDGD	
Cc1noc([C@H](C)NC(=O)NNc2cccc(C(=O)O)c2C)n1	1608021524	SOXFELDVJKSMND-QMMMGPOBSA-N	319.321	1.772	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cccc(-c2nn[nH]n2)c1	1606862600	FKBUBHACVHFETQ-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
Cc1cnn(CCC(=O)NNc2cccc(F)c2C(=O)O)c1	1600638855	PDNJDCSPTFLGBJ-UHFFFAOYSA-N	306.297	1.562	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2csc([N+](=O)[O-])c2)nc1	1602384035	BFWQSMZJHWVKRK-UHFFFAOYSA-N	308.275	1.506	50	20	DDGD	
Cc1cccc(NNC(=O)C2(C(=O)O)CCOCC2)c1Cl	1605344899	CDTPGRKBHVIVRM-UHFFFAOYSA-N	312.753	1.973	50	20	DDGD	
O=C(COC[C@@H]1CCCO1)NNc1cccc(C(=O)O)c1F	1601337914	IEXQHHVMHGBXNW-VIFPVBQESA-N	312.297	1.163	50	20	DDGD	
COc1cccc(NNC(=O)Nc2cccc(CC(=O)O)n2)n1	1610357298	VKMMVSYMYAVPPD-UHFFFAOYSA-N	317.305	1.261	50	20	DDGD	
O=C(/C=C/c1cncc(O)c1)NNc1ccc(C(=O)O)cn1	1610650000	BXYLKOLHIGQUKN-DAFODLJHSA-N	300.274	1.037	50	20	DDGD	
CO[C@@H]1C[C@H](c2nnc3cnccn23)N(C[C@@H]2[C@H](C)[C@@H]2Cl)C1	1550634263	SNIXBVGGWORCBA-KSFQGOMNSA-N	321.812	1.759	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@@H]2C=NNC(=O)[C@@H]2CCCO2)cn1	1552452417	KZOIODGDZCWFOZ-KWCYVHTRSA-N	306.366	1.169	50	20	DDGD	
NCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](F)Cl)CC1	1826810307	QGQBHMXLPZHOCK-YPMHNXCESA-N	319.808	1.099	50	20	DDGD	
C[C@@H](N)c1ccc(C(=O)NNC(=O)Cc2ccc(F)cc2)cc1	1576164011	CSHGUCKTHPTZCB-LLVKDONJSA-N	315.348	1.849	50	20	DDGD	
CC[C@H](NC)C(=O)NNc1cc(C#N)ccc1Br	1577172288	SMRYWFJCRSKOJR-JTQLQIEISA-N	311.183	1.762	50	20	DDGD	
CC(C)[C@@]1(C)C[C@@H]1NC(=O)NNc1cccc(-c2nn[nH]n2)c1	1589490796	OHRNLQQKQNKRRP-SWLSCSKDSA-N	315.381	1.927	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1ccsc1-c1nn[nH]n1	1591043845	KIBWJSGRYNBYFA-UHFFFAOYSA-N	306.178	1.804	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Nc2ccccc2C(=O)O)cc1	1594617542	DVIFLNZANYCBCG-UHFFFAOYSA-N	324.296	1.723	50	20	DDGD	
COC[C@H](CNC(=O)NNc1cccc(C(=O)O)c1)C(C)C	1599167469	VQWAJGZWPAJXOD-LBPRGKRZSA-N	309.366	1.930	50	20	DDGD	
COc1ccc(NNC(=O)COCC(=O)O)c(C(F)(F)F)c1	1594105938	RCHCADABVODVOL-UHFFFAOYSA-N	322.239	1.258	50	20	DDGD	
O=C(O)[C@]1(C(=O)NNc2nc3ccccc3[nH]2)C[C@H]2CC[C@H]1C2	1594867684	QMDLNRUUEKYWGL-XQJJYNOISA-N	314.345	1.897	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)NC1CCC(C(=O)O)CC1	1594781520	CIMBRSFMNRQSHM-UHFFFAOYSA-N	313.745	1.400	50	20	DDGD	
C[C@H](Oc1cccc(C=NNC(=O)c2ncccn2)c1)C(=O)O	1776081516	SGYBRTADWTVVTP-JTQLQIEISA-N	314.301	1.092	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=Cc1c(F)cc(C(=O)O)cc1F	1776102708	WKZGTGAGCFLYTC-QPUJVOFHSA-N	312.272	1.538	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2cccc(N(C)C)n2)o1	164438593	LZGVGKOLNNPDPB-UHFFFAOYSA-N	317.349	1.193	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2cccc(C#N)c2)cc1	152516345	ZXWRAEGSRHNSBC-UHFFFAOYSA-N	310.313	1.649	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@@H]1OCCc2ccccc21	157526404	UTUDKUCTOUDNHH-CQSZACIVSA-N	315.329	1.424	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNc1ccc(C#N)cc1	155593171	OPHXTCFBKAGNOW-AWEZNQCLSA-N	300.362	1.792	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](C)OCC2CC2)c([N+](=O)[O-])c1	155254817	DCVDFLLCBUOPAG-VIFPVBQESA-N	309.322	1.862	50	20	DDGD	
Cc1ccc(S(N)(=O)=O)c(C(=O)NNc2ccccc2)c1	159410191	CIXWOVXRPNOHRS-UHFFFAOYSA-N	305.359	1.399	50	20	DDGD	
N#Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(F)cc2)cc1	57820384	HMQNCHXWRSCNGM-UHFFFAOYSA-N	319.317	1.321	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)c2ccccn2)cc1	105510999	LFHSNZXTGZWLFV-UHFFFAOYSA-N	315.402	1.779	50	20	DDGD	
COc1ccccc1[C@@H](C)CC(=O)NNC(=O)c1c[nH]nc1C	110759059	LXXIAETVWAVVDR-JTQLQIEISA-N	316.361	1.682	50	20	DDGD	
COc1cccc([C@H](C)C(=O)NNC(=O)Cc2cccnc2)c1	171510353	CLKJLKPZZGYYEF-LBPRGKRZSA-N	313.357	1.584	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(-c3ccccc3)[nH]c2=O)ncn1	172275508	GHZUMWWOZADIOX-UHFFFAOYSA-N	321.340	1.897	50	20	DDGD	
CCOC(=O)NCC(=O)NNc1ccc(C(F)(F)F)cc1	179015811	XDBDPVQOWFWUOB-UHFFFAOYSA-N	305.256	1.895	50	20	DDGD	
O=C(CCC1CC1)NNc1ccc(S(=O)(=O)NC2CC2)cc1	115357088	IVUJYBAPQCFANO-UHFFFAOYSA-N	323.418	1.761	50	20	DDGD	
CC(C)(C)S(=O)(=O)CC(=O)NNc1ccc(Cl)cc1	119121783	NUKDVMUZAUTZQI-UHFFFAOYSA-N	304.799	1.996	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCN(C)C(C)C	172810876	JEKWIAOLQMQXLJ-UHFFFAOYSA-N	300.834	1.809	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)c1c[nH]nc1C)c1ccccc1	110761840	NOIPRKFHUWAILH-HNNXBMFYSA-N	302.334	1.041	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCc2cn(C)nc2C)c(O)c1	115710188	TTZUSBHPKZKPAW-UHFFFAOYSA-N	316.361	1.136	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C[C@H]1C=CCC1	60949659	ZKXWHEQZTCQBJG-LBPRGKRZSA-N	304.346	1.578	50	20	DDGD	
COc1ccc([C@H](C)CC(=O)NNC(=O)c2ccc[nH]2)cc1	175059304	DMHDOPMNRJIPQY-LLVKDONJSA-N	301.346	1.978	50	20	DDGD	
Cc1ccc(NNC(=O)CCn2nnc3ccccc3c2=O)cc1	126229289	WRAFEFSEIBNFCB-UHFFFAOYSA-N	323.356	1.633	50	20	DDGD	
O=C(Cc1ccccc1OC(F)F)NNc1ncc(F)cn1	122837738	NXIMUQNLHCIHEO-UHFFFAOYSA-N	312.251	1.903	50	20	DDGD	
O=C(NNC(=O)c1ccc(C(F)(F)F)cc1O)c1ccc[nH]1	180339588	CQPLDUAONYFWKV-UHFFFAOYSA-N	313.235	1.814	50	20	DDGD	
N[C@H]1CCCN(S(=O)(=O)c2ccc(CCCCl)cc2)C1	122340628	MGDBLJKJZNRTSG-ZDUSSCGKSA-N	316.854	1.970	50	20	DDGD	
O=C(/C=C/c1ccc[nH]1)NNC(=O)c1ccc2c(c1)OCCO2	189675269	OXCADYNJLMNCPP-GQCTYLIASA-N	313.313	1.260	50	20	DDGD	
O=C(/C=C\c1cccc(F)c1)NNC(=O)NCC(F)(F)F	124678715	UKQJOBVOXJNZCZ-PLNGDYQASA-N	305.231	1.732	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1ccnn1-c1ccccc1	181408613	DOVZANKXPVXQPJ-UHFFFAOYSA-N	322.328	1.349	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H](c1ccccc1)C(C)C	79762384	KIXDNYQIYKZVOM-CQSZACIVSA-N	307.394	1.793	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1C(=O)NNC(=O)c1ccccc1F	77541055	YAQKYAZNZHBVAE-UHFFFAOYSA-N	318.352	1.932	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)Cc2cncs2)c1	187337688	GZLDHVJJLAGZKS-UHFFFAOYSA-N	319.386	1.529	50	20	DDGD	
O=C(NCc1cccnc1)NNC(=O)c1cccc([N+](=O)[O-])c1	73117437	AOLBLFBFJJFWRN-UHFFFAOYSA-N	315.289	1.134	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(CS(C)(=O)=O)cc1	80085246	RNAVNGXUIQFCKM-UHFFFAOYSA-N	312.391	1.038	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cccc2[nH]c(=O)oc12	131299990	VAHIIWOYVKTKJJ-UHFFFAOYSA-N	314.257	1.786	50	20	DDGD	
O=C(NNc1ncccn1)c1nn(-c2ccccc2)c2c1CCC2	193230419	CHKARVWINYNOLA-UHFFFAOYSA-N	320.356	1.908	50	20	DDGD	
CCCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)NC1CCCCC1	193920560	WHZIEFMIOPYLFE-CYBMUJFWSA-N	324.425	1.441	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)c1cc(Br)c[nH]1)C1CC1	48674755	HMRMVRUORZIZAS-QPJJXVBHSA-N	312.167	1.895	50	20	DDGD	
O=C(NNc1cccc2c1CCCC2)C(=O)Nc1cnns1	192083706	LVMDRIDBFNKWQE-UHFFFAOYSA-N	317.374	1.499	50	20	DDGD	
CC(C)CC(CC(C)C)=NNC(=O)N[C@H]1CCS(=O)(=O)C1	147317951	ODVATAOSYQIXQM-LBPRGKRZSA-N	317.455	1.921	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2ccc(O)cc2O)cc1OC	252476844	CITLVTOGJVFBEV-UHFFFAOYSA-N	316.313	1.879	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@](C)(O)Cc2ccccc2)n1	266779012	BZVWUSKHBMNUPA-MRXNPFEDSA-N	300.362	1.530	50	20	DDGD	
O=C(Cc1cccc(Br)c1)NNC(=O)C1CCC1	264802761	UNIPWCGSMMTYFT-UHFFFAOYSA-N	311.179	1.939	50	20	DDGD	
O=C(NNC(=O)C1(c2ccc(F)cc2)CCOCC1)C1CCC1	264781821	QFFBUVRKYQUCCQ-UHFFFAOYSA-N	320.364	1.821	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccc(OCC(F)(F)F)cc1	278064090	YUFOCQVCLCCGEK-UHFFFAOYSA-N	320.267	1.160	50	20	DDGD	
CCC[C@H]1CN(C(=O)NNC(=O)c2ccccc2C)CCO1	270294115	PSXPGJWMOJCRHB-ZDUSSCGKSA-N	305.378	1.850	50	20	DDGD	
CC(C)C(C)(C)C(=O)NNC(=O)Cc1nc2ccccc2n1C	275807773	NKQLOGKAYIWKCI-UHFFFAOYSA-N	316.405	1.945	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC(CC(N)=O)CC1	275019377	RMKHHHDQIIWOEG-ZROIWOOFSA-N	313.357	1.413	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(SC)c1C	274059005	KWFOEBONTLRRCN-VIFPVBQESA-N	323.418	1.849	50	20	DDGD	
COC(=O)c1ccccc1CS(=O)(=O)N1CC=C(C#N)CC1	272710424	CNYGMPUCTKTBRJ-UHFFFAOYSA-N	320.370	1.459	50	20	DDGD	
C[C@@H]1OCC[C@@]1(O)CNC(=O)/C(C#N)=C\c1ccc(F)cc1	279590103	VAROWSPDJMOURW-VJGWNOENSA-N	304.321	1.389	50	20	DDGD	
Cc1ccc(OS(=O)(=O)CBr)cc1[N+](=O)[O-]	272822273	PHBOKHRNQUZFAP-UHFFFAOYSA-N	310.125	1.964	50	20	DDGD	
CSCc1ccccc1NC(=O)C(=O)NNC(=O)CC1CC1	274021207	AOTBELLJESOYMD-UHFFFAOYSA-N	321.402	1.436	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccccc1CCOC	276413044	LSVBFJIBLAOFFO-NSHDSACASA-N	321.377	1.008	50	20	DDGD	
COC[C@H](CNC(=O)NNc1cccc([N+](=O)[O-])c1C)OC	272974735	OSEYVULYMQZQFZ-JTQLQIEISA-N	312.326	1.191	50	20	DDGD	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)Nc1ccccc1C	286406173	FBVJFNQWICHOGA-WDEREUQCSA-N	305.334	1.347	50	20	DDGD	
COC(=O)[C@H]1CC[C@H](C(=O)NNC(=O)c2ccccc2F)CC1	281947537	WXONPBRQUFTMBL-XYPYZODXSA-N	322.336	1.566	50	20	DDGD	
COC(=O)c1cc(OC(=O)[C@H]2C[C@@]23CCOC3)ccc1[N+](=O)[O-]	373406305	ISNXHOFKUJGTBZ-IAQYHMDHSA-N	321.285	1.713	50	20	DDGD	
O=C(NC[C@H]1CCC(F)(F)C1)NNC(=O)c1ccccc1O	280521036	GGHVPTKURWPMQO-VIFPVBQESA-N	313.304	1.772	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1ccnn1C(C)(C)C	285454747	ZPBFSIIWWXYIQN-UHFFFAOYSA-N	316.452	1.704	50	20	DDGD	
O=C(NNC(=O)C(=O)NCC1CC1)Nc1ccc(Cl)cc1	283795815	UTVFLXSGWQVVEJ-UHFFFAOYSA-N	310.741	1.019	50	20	DDGD	
CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NNc1ncncc1F	294067341	QCSUABQCSYCGIW-LLVKDONJSA-N	323.372	1.486	50	20	DDGD	
CCOc1ccc(NNC(=O)CCc2nc(N(C)C)no2)cc1	294426943	SDHOACHCYOCISB-UHFFFAOYSA-N	319.365	1.610	50	20	DDGD	
CCc1noc(NC(=O)NNC(=O)[C@@H](CC)c2ccccc2)n1	296775307	NUDKOARVSJJCKU-NSHDSACASA-N	317.349	1.979	50	20	DDGD	
CCOC(=O)Oc1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1	800321726	JWSJMOVEAWGUDI-UHFFFAOYSA-N	317.301	1.625	50	20	DDGD	
O=C(CCCn1cncn1)NNC(=O)Nc1ccc(Cl)cc1	802016761	LZIMSIMBWHDAEY-UHFFFAOYSA-N	322.756	1.565	50	20	DDGD	
COc1ccc(CNC(=O)NNc2nc(C)cc(C)n2)cc1O	298719666	ILKBRXIJFKVFMU-UHFFFAOYSA-N	317.349	1.634	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cc(F)ccc1[N+](=O)[O-]	802027228	XVDXKDZJJARNBM-UHFFFAOYSA-N	319.252	1.017	50	20	DDGD	
COC(=O)N(C)NC(=O)COCc1nc2ccccc2s1	804125745	UEKNBSGYHUBCEX-UHFFFAOYSA-N	309.347	1.542	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1Cc2ccccc2OC(C)(C)C1	808791487	ZWOKVIHIEDMRMK-LBPRGKRZSA-N	319.405	1.606	50	20	DDGD	
O=C(CCCNC(=O)NNc1ncc(F)cc1F)NC1CC1	297198931	VWEQZLYUIPYZED-UHFFFAOYSA-N	313.308	1.045	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1CC	293895974	KZERESAUIILLKF-FZMZJTMJSA-N	322.409	1.574	50	20	DDGD	
COC[C@@H](C)OC(=O)/C(C#N)=C\c1cc(OC)c(O)c(OC)c1	298819607	SBRSKZYGFZCBTP-CGYDICSFSA-N	321.329	1.894	50	20	DDGD	
CCc1cccc(C(=O)NNC(=O)N=c2cc[nH]cc2)c1O	802026930	YLTZVQSXWXLSLK-UHFFFAOYSA-N	300.318	1.238	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2nccnc2C(C)C)sn1	807065074	CYSQHIONFPIMHA-UHFFFAOYSA-N	320.378	1.447	50	20	DDGD	
Cn1ccc(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)c1	802093342	RHBURPKDDFCQDD-UHFFFAOYSA-N	302.290	1.220	50	20	DDGD	
Cc1cccc2cc(C(=O)NNC(=O)Cc3cc[nH]n3)sc12	809668078	QHCZQCGKTKGVEW-UHFFFAOYSA-N	314.370	1.937	50	20	DDGD	
O=C(NNC(=O)c1ncccc1O)Nc1cc(F)cc(F)c1	802003500	SFGATZNCPIKRAH-UHFFFAOYSA-N	308.244	1.532	50	20	DDGD	
CCOC(=O)c1cc(C(=O)NNC(=O)NC2CCCC2)[nH]c1C	294845816	YTKAHFJJWKSHCH-UHFFFAOYSA-N	322.365	1.386	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)[C@@H]1CCCC12OCCO2	806858761	XOHHMPDYVTXWGX-LBPRGKRZSA-N	314.345	1.616	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNC(=O)c2cccnc2)cc1	809956459	HQBGBPRDUHDFKM-UHFFFAOYSA-N	313.313	1.333	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNc1ccccc1S(C)(=O)=O	812507205	MBQDICSIMKOJRP-WDEREUQCSA-N	314.407	1.452	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)Cn1ccc2ccccc21	812499507	LHBVZBOSJBFXFD-QWHCGFSZSA-N	317.389	1.707	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	819535167	NKCKXKZUIMVIHA-UPJWGTAASA-N	302.440	1.305	50	20	DDGD	
O=C(NC[C@H]1COc2ccccc21)NNC(=O)c1ccc[nH]1	812441327	QVICJLQLXQVUAA-JTQLQIEISA-N	300.318	1.135	50	20	DDGD	
O=C1CCC[C@H](C(=O)NNc2cc(Cl)nc(Cl)c2)N1	819747000	IXWQMZPGFQTGCK-SSDOTTSWSA-N	303.149	1.500	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H](C)[C@H](C)COC)nc1C	812545649	XIAPVLCTWJQKPM-ZJUUUORDSA-N	324.381	1.323	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1c2c(cc3c1CCC3)CCC2	810322302	YEUZWTYQZSVEFO-UHFFFAOYSA-N	316.405	1.378	50	20	DDGD	
C[C@H](C(=O)NNc1ccccc1S(C)(=O)=O)C(C)(F)F	815827579	GKMVFHCYYZPRGG-MRVPVSSYSA-N	306.334	1.825	50	20	DDGD	
Cn1nc(CNC(=O)NNc2ncncc2F)c2ccccc21	814319569	INVRFININYOYTF-UHFFFAOYSA-N	315.312	1.329	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCC(C)CC1)c1ccc(N)nc1	814764085	MAEYIOXDKSFCHE-ZDUSSCGKSA-N	317.437	1.872	50	20	DDGD	
COc1ncnc(OC)c1C(=O)NNc1cccc(Cl)n1	817008189	HVBLJUJPAIPGPK-UHFFFAOYSA-N	309.713	1.299	50	20	DDGD	
Cc1nsc(C)c1C(=O)NNc1nc(-c2cccnc2)no1	815546447	LIPHVJNOPMYLCZ-UHFFFAOYSA-N	316.346	1.962	50	20	DDGD	
Cc1cccc(C=NNC(=O)[C@H](C)CN2CCOCC2)c1O	814762722	IWFGNUMMSCNDRA-CYBMUJFWSA-N	305.378	1.119	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1cn2cc(Cl)ccc2n1	815000876	TWWUSQWPVATGGP-UHFFFAOYSA-N	314.736	1.960	50	20	DDGD	
CC(=O)Nc1ccccc1CC(=O)NNc1ncncc1F	817079603	HNOSTFMQYJTQMV-UHFFFAOYSA-N	303.297	1.260	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1cc(F)c[nH]1	814842780	RTEHVVJTMBWABC-UHFFFAOYSA-N	311.700	1.891	50	20	DDGD	
COc1ccc2c(c1)CCCC2=NNC(=O)C(=O)NC(C)C	725851849	ZJYGFGSDCPISTP-UHFFFAOYSA-N	303.362	1.376	50	20	DDGD	
CCN(CCO)NC(=O)C1(Cc2ccc(F)cc2)CCOCC1	823888934	BBAWNINNWZJESS-UHFFFAOYSA-N	324.396	1.510	50	20	DDGD	
COC[C@H](OC)C(=O)NNC(=O)c1cccc2ccccc12	828577954	FQLRKNXFAFDUBU-AWEZNQCLSA-N	302.330	1.262	50	20	DDGD	
CC(CCCCO)=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	824400623	JKCNCRHSTVYGGK-UHFFFAOYSA-N	302.338	1.135	50	20	DDGD	
C[C@@H]1NCC[C@H]1C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	829522267	AZXRCFLEXRRPGP-GZMMTYOYSA-N	321.768	1.831	50	20	DDGD	
CC(C)(C)OC(=O)N(CC(=O)NNc1cnccn1)C1CC1	493994454	AYCMLOPLSOOJRB-UHFFFAOYSA-N	307.354	1.319	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)CC2(O)CCC2)cc1OC	822211375	VIDRUMGEWSWFKP-UHFFFAOYSA-N	322.361	1.160	50	20	DDGD	
Cc1nnc([C@H](C)NC(=O)NNC(=O)OC(C)(C)C)s1	495352540	MVCMQIKZLUEDLW-LURJTMIESA-N	301.372	1.646	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1ccc2c(c1)nnn2C	490662833	DVILVMBGOXGKMI-LCYFTJDESA-N	313.361	1.418	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N(C)CC(C)(C)C	728944872	NDLYOULMECLQTJ-UHFFFAOYSA-N	317.393	1.975	50	20	DDGD	
CCC[C@H]1CCC[C@@H]1C(=O)NNc1nc(O)c2cnn(C)c2n1	823326072	RYNKKVGPQQTTAQ-UWVGGRQHSA-N	318.381	1.728	50	20	DDGD	
CC(C[C@@H]1COCCN1C(=O)OC(C)(C)C)=NNC(N)=O	495413002	OWUQGPZKTZKGMB-SNVBAGLBSA-N	300.359	1.057	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)NN(C)C2CC2)c1C	491046983	IAPNMFDYHHOPSR-GDNBJRDFSA-N	316.405	1.784	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCCCC2)C1	584946572	VAQUMMOZEUAPGY-UHFFFAOYSA-N	301.195	1.553	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N(C)C[C@@H](C)C(=O)O)cc(C#N)n1C	738289396	PRKYWMKGJRWMEB-YNHMVAKQSA-N	314.345	1.291	50	20	DDGD	
COc1ccc2c(c1)C[C@@H](C)CC2=NNC(=O)C[N+](C)(C)C	905419916	UNVLKLHURKEZJU-GFCCVEGCSA-O	304.414	1.804	50	20	DDGD	
O=C(c1cccc(C(F)(F)F)c1F)N1CC[C@@H](B(O)O)C1	585070045	VNGRSXSSKFUBKY-SSDOTTSWSA-N	305.036	1.533	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)c3ncccn3)cc2C1	735840043	BPXQMXXEHYDTNT-VIFPVBQESA-N	316.386	1.738	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)cc1	908054660	YORNKBDBEUIDPM-KWCYVHTRSA-N	316.361	1.130	50	20	DDGD	
CC(C)(C)NC(=O)CCNC(=O)[C@]1(C)C[C@@H]1Br	906542992	AXZPHWWKTFZGNA-QPUJVOFHSA-N	305.216	1.581	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(O)nc2c(F)cc(C)cc12	495191447	REBZJZQTHGGFIF-UHFFFAOYSA-N	307.281	1.779	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2CN(c3ccccc3)C2=O)C[C@@H]1Br	907288496	PLBVUVKALAOKSP-SUNKGSAMSA-N	323.190	1.692	50	20	DDGD	
O=C(O)CCCNC(=O)NNC(=O)CCCc1ccccc1	739677820	PCQQHFGQWKGSCH-UHFFFAOYSA-N	307.350	1.205	50	20	DDGD	
COC1CCN(CCNC(=O)[C@@]2(C)C[C@H]2Br)CC1	906931584	ZWLDTBSIIXCCFA-YPMHNXCESA-N	319.243	1.387	50	20	DDGD	
CCCC[C@@H](CC)CNC(=S)NNC(=O)C(=O)NC(C)C	730594352	XASAZRXLFJHSAB-LLVKDONJSA-N	316.471	1.223	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCCSCC(F)(F)F)cn1	491083835	MXLJKENNMWFBII-WMZJFQQLSA-N	318.324	1.739	50	20	DDGD	
COCCC1(CNC(=O)NNC(=O)[C@H]2CCCCO2)CCC1	836360886	DVXXAOUAZXIVNZ-GFCCVEGCSA-N	313.398	1.093	50	20	DDGD	
C[C@@H](NC(C)(C)CNCc1ccc(B(O)O)o1)c1ccccc1	585024633	YZJJSCOWEVCMPC-CYBMUJFWSA-N	316.210	1.178	50	20	DDGD	
O=C(O)Nc1ccc(C(=O)NNC(=O)Cc2cccnc2)cc1	738660632	MKUUDTQGEBBJKJ-UHFFFAOYSA-N	314.301	1.175	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)Cc1ccc(Cl)cc1	732527838	LBKDWRJVUHZJEA-UHFFFAOYSA-N	302.783	1.419	50	20	DDGD	
Cc1ccc(N2CC[C@H](NCc3cccc(B(O)O)c3)C2)cc1	585024625	ZYQOBUGVYVZBQY-KRWDZBQOSA-N	310.206	1.043	50	20	DDGD	
CN(C)CCOc1ccc(N(C)S(=O)(=O)CCl)cc1	830451128	NKWIEJFFOVHGEE-UHFFFAOYSA-N	306.815	1.589	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2C)CC1=O	839764676	FVEGXEFALLOJKA-NSHDSACASA-N	320.349	1.605	50	20	DDGD	
CC[C@H](CNCc1ccc(B(O)O)o1)Oc1cccc(C)c1	585016969	GHNGXTRCISFZEI-CYBMUJFWSA-N	303.167	1.215	50	20	DDGD	
CC(=O)Nc1ccsc1C=NNC(=O)NCC(F)(F)F	735406765	ODYUELZNSGVCHK-UHFFFAOYSA-N	308.285	1.902	50	20	DDGD	
CC[C@H](OC1CCCC1)C(=O)NNC(=O)Cn1nc(C)cc1C	733127020	XMAKMFLUAQKEFT-AWEZNQCLSA-N	322.409	1.385	50	20	DDGD	
O=C(O)NCCCC(=O)NNc1ncccc1C(F)(F)F	739956797	LUIKENOQNKATRZ-UHFFFAOYSA-N	306.244	1.591	50	20	DDGD	
Cc1ccc(-c2nc(C(=O)N3CC[C@@H](B(O)O)C3)cs2)o1	585078268	XEEMTYDEDNHERD-SECBINFHSA-N	306.152	1.400	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc(Cl)c(F)c1	901964307	HNBYNYLXTNRUOD-UHFFFAOYSA-N	318.757	1.592	50	20	DDGD	
C[C@@H](C#N)C(=O)NNC(=O)c1ccc(COc2ccccc2)o1	735841132	SONLDXICZZXEGA-NSHDSACASA-N	313.313	1.779	50	20	DDGD	
COc1c(C)ccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1C	831217532	ADFMKJODALLGTP-RYUDHWBXSA-N	321.377	1.890	50	20	DDGD	
O=C(CC1CCCC1)NCC(=O)NNc1ncc(F)cc1F	837205897	GGMZSGYDHCBSOY-UHFFFAOYSA-N	312.320	1.499	50	20	DDGD	
CN(CC(=O)OC(C)(C)C)C(=O)[C@@]1(C)C[C@H]1Br	906490044	XWQNMDIHDQFBIL-PELKAZGASA-N	306.200	1.960	50	20	DDGD	
C[C@@H]1CCC[C@@H](C)C1N(C)C(=O)c1cc(B(O)O)ccc1F	584942141	PMOHCJVGCSEFTM-GHMZBOCLSA-N	307.174	1.402	50	20	DDGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)[C@@H]1C[C@H]1[N+](=O)[O-]	839709206	OARCWCMJCMYPLA-NXEZZACHSA-N	319.239	1.736	50	20	DDGD	
CCN(C)C(=O)OC[C@@H]1CCCCN1S(=O)(=O)CCl	831528181	MLOBCUDNEQYVFC-JTQLQIEISA-N	312.819	1.455	50	20	DDGD	
CN1C(=O)CC[C@H]1CC(=O)NNc1ccc(OC(F)F)cc1	830810206	JBSYEHDINONYCC-JTQLQIEISA-N	313.304	1.742	50	20	DDGD	
C[C@]1(Cc2ccccc2)CCCN1C(=O)c1cccc(B(O)O)c1	584974986	CVFOCMGKQAKINR-LJQANCHMSA-N	323.201	1.604	50	20	DDGD	
CCOc1cccc2c1CC[C@H]2NCc1ccc(B(O)O)cc1	585023020	BGNDFAXFYQYTRX-QGZVFWFLSA-N	311.190	1.542	50	20	DDGD	
CC(C)OC(=O)NCc1ccc(NC(=O)NNC(=O)O)cc1	736485344	SFXPUGSQVMTSIQ-UHFFFAOYSA-N	310.310	1.625	50	20	DDGD	
CC(C)(C)[C@@H](O)C(=O)NNC(=O)c1ccc2ccccc2n1	735837357	SJSQXJJOTSFCEI-ZDUSSCGKSA-N	301.346	1.403	50	20	DDGD	
CC/C=C\CNC(=O)NNC(=O)c1ccc(OC)c(OC)c1	836205427	JYGNALBPPDBMRK-WAYWQWQTSA-N	307.350	1.614	50	20	DDGD	
O=S(=O)(CCl)N1CC[C@]2(CCc3ccccc3O2)C1	831582991	MQLIIHYIJYJBLY-CYBMUJFWSA-N	301.795	1.982	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NC[C@@H]2CCCCO2)cc1	836345052	FTPOIZSLMOBETM-ZDUSSCGKSA-N	322.365	1.600	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H]2CCCCN2C)c1	731861986	VUHWJWPDBMERFT-AWEZNQCLSA-N	305.378	1.006	50	20	DDGD	
CC(C)(C)OC(=O)NC1(CC(=O)NNc2nc[nH]n2)CCC1	839769958	PMMJCAXEVXPVIG-UHFFFAOYSA-N	310.358	1.085	50	20	DDGD	
COCC[C@@H](C)NC(=O)NNc1cccc(Br)n1	838120828	WZVHOHUWWVKSBV-MRVPVSSYSA-N	317.187	1.895	50	20	DDGD	
CC[C@@H]1C[C@H](C)CN1CC(=O)NNC(=O)c1ccc(C#N)cc1	839504996	NPKKQECPNXXXSB-SWLSCSKDSA-N	314.389	1.440	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)C(C)(C)C)C[C@@H](C(F)(F)F)O1	745998673	NLJREYHWSQERBV-YUMQZZPRSA-N	311.304	1.425	50	20	DDGD	
COCC1(C(=O)NNC(=O)COc2ccccc2F)CCCC1	837309764	VUCGHSMSXQQWSV-UHFFFAOYSA-N	324.352	1.559	50	20	DDGD	
COc1ccc(CCCCC(=O)NN(C)[C@H](C)CO)cc1OC	911445138	NBPUZAJYVVXFIR-CYBMUJFWSA-N	324.421	1.760	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cccc2c1OCCO2	740762743	FYGFLQRRXDNLHA-UHFFFAOYSA-N	319.361	1.213	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCOC[C@@H]2CCOC2)cc1	838416182	MBIAVYBDPGBIKW-CYBMUJFWSA-N	323.393	1.765	50	20	DDGD	
O=C(NCC(F)(F)F)NN=Cc1ccc(-n2cncn2)cc1	917553585	LDTHMDYUXQNZPR-UHFFFAOYSA-N	312.255	1.463	50	20	DDGD	
CCc1ccccc1-n1cc(O)c(C(=O)NN(C)C[C@@H](C)O)n1	910138684	KPCAJAJBVNMAOH-LLVKDONJSA-N	318.377	1.098	50	20	DDGD	
COc1ccc(-c2cc(C(=O)NN(C)[C@H](C)CO)no2)cc1	911444729	IEUHTQOOXUKLJV-SNVBAGLBSA-N	305.334	1.308	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2CC[C@@H]3CNC[C@@H]3C2)n1	842014944	JSCLPQSZNSNOLF-FRRDWIJNSA-N	304.398	1.108	50	20	DDGD	
CCS(=O)(=O)CC(C)=NNC(=O)c1cc2ccccc2o1	749822173	AYGBIACVOHFUIZ-UHFFFAOYSA-N	308.359	1.973	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H](C)c2cnccn2)cc1	911878590	ZCQWFGKHZZVWSY-NSHDSACASA-N	314.345	1.439	50	20	DDGD	
CCn1cncc1C=NNC(=O)[C@@H](C)Oc1ccccc1F	841613201	UWVNKUGREZEZRM-LLVKDONJSA-N	304.325	1.960	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cnc2ccc(Cl)cn12	842559037	YYIZPSJADUIPMA-CABZTGNLSA-N	306.753	1.863	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)C1(c2ccccc2F)CC1	747324515	GWKVXYKZLWMNGO-UHFFFAOYSA-N	313.332	1.642	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1cccc(F)c1	743447720	MCVHUPPPWODFPK-UHFFFAOYSA-N	304.281	1.110	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(N(C)C)c(F)c2)n1	746627047	DGRNZGGFDMZKPT-UHFFFAOYSA-N	319.340	1.756	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(CSC)c1ccccc1	748257308	HHQDRUWZCPNBRC-GFCCVEGCSA-N	310.419	1.921	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)CCCN1C(=O)CCC1=O	846642285	BBXLWBOKXMFHRW-UHFFFAOYSA-N	323.324	1.207	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1	910177260	KAAWQZHUISNHLT-NXEZZACHSA-N	313.379	1.419	50	20	DDGD	
CCC[C@@H](C(=O)OCC)S(=O)(=O)NNC(=O)CC(C)(C)C	844653497	HDUUAEKMBJNDMK-JTQLQIEISA-N	322.427	1.105	50	20	DDGD	
CCC(=NNC(=O)[C@H]1COc2ccccc2O1)c1cnn(C)c1	741805307	OTLALQZBVLFLOM-OAHLLOKOSA-N	314.345	1.490	50	20	DDGD	
CCOc1cc(C=NNC(=O)[C@@H]2CCO[C@H]2C)ccc1OC	842557543	PPXIRZHWMQYTSJ-WCQYABFASA-N	306.362	1.969	50	20	DDGD	
COc1nccnc1NNC(=O)c1cccnc1N1CCCC1	840572656	VVGVBCCUGFDKFP-UHFFFAOYSA-N	314.349	1.237	50	20	DDGD	
O=C(CN1CSCCSC1)NNc1ccc(Cl)cn1	912689722	AVLZTQHDPJJNMW-UHFFFAOYSA-N	318.855	1.875	50	20	DDGD	
Cc1ccc2nnc(CNC(=O)[C@@]3(C)C[C@H]3Br)n2c1	911073409	WIYKUKYJPZTYRE-RNCFNFMXSA-N	323.194	1.827	50	20	DDGD	
C=CCCCC(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	748224472	JORWKMAPXLEFAG-UHFFFAOYSA-N	304.346	1.656	50	20	DDGD	
O=C(NN=Cc1ccccn1)c1nn(-c2ccccc2)cc1O	916353365	LFXWPWQQVGYWBL-UHFFFAOYSA-N	307.313	1.737	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)[C@@H]1CCCS(=O)(=O)C1	845857533	ILDZKHOYEUYENF-SSDOTTSWSA-N	322.308	1.372	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@H]1CCc2ncncc2C1	846638655	DRIOUDSUULMVDJ-JTQLQIEISA-N	316.336	1.873	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC12CCOCC2)c1ccc(Cl)cc1O	748845593	IBZOKIVVHCPYJA-NSHDSACASA-N	324.764	1.623	50	20	DDGD	
CC(C)CO[C@H](C)C(=O)NNC(=O)Cc1cn2ccccc2n1	746556125	MQOXARJICQKGMU-GFCCVEGCSA-N	318.377	1.085	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)CC(F)(F)F)c1ccc(C)o1	746778940	YYKRGKAHUIZHTP-QMMMGPOBSA-N	323.271	1.558	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)N[C@H]3CCNC3)cc2C1	841938575	FYIVNGGTSQSGKU-ONGXEEELSA-N	322.434	1.179	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](OC(C)C)C1	844379258	ORHOMTWGBOKUKY-ZIAGYGMSSA-N	313.442	1.458	50	20	DDGD	
CN(CCO[Si](C)(C)C(C)(C)C)CC(=O)N1CCNC1=O	844346268	LZSFEXUGNSDPLY-UHFFFAOYSA-N	315.490	1.492	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)c1ccnc(F)c1	748697438	ISIXIWNPJRBDNU-UHFFFAOYSA-N	305.334	1.846	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@H](CO)C[C@H]1CCCO1	923740285	IIYIIJUMLUETNA-HBNTYKKESA-N	322.243	1.842	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)[C@H]1CCCSC1	848323153	YKSXKYJGKJGIEU-ZETCQYMHSA-N	317.212	1.825	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCc1nc2ccccc2o1	843643652	CUEGUSZYQDRYNG-WDEREUQCSA-N	317.345	1.333	50	20	DDGD	
CC(=O)NNC(=O)C(C)(C)Oc1ccc(Br)cc1	854155852	WREMNIYZDAULPL-UHFFFAOYSA-N	315.167	1.774	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cnc(N(C)C)s1	755631320	LLBPLSJLCNBLMY-UHFFFAOYSA-N	310.408	1.320	50	20	DDGD	
C[C@@H](CN(C)C(=O)NNC(=O)c1cn[nH]c1)c1ccccc1	858704290	PDRUKWHRYQTGAJ-NSHDSACASA-N	301.350	1.500	50	20	DDGD	
O=C(NNC(=O)[C@H](O)C1CC1)Nc1ccc(OC(F)F)cc1	854379709	KIDSIASGBFDBND-SNVBAGLBSA-N	315.276	1.212	50	20	DDGD	
C[C@H]1COC[C@@H]1NC(=O)NNc1ccc2c(=O)[nH]ccc2c1	926016620	PGUNKMFYTVEOMO-ZANVPECISA-N	302.334	1.189	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)c2ccc3c(c2)OCO3)s1	755484533	PUTRVBPKYPKNHW-UHFFFAOYSA-N	318.358	1.702	50	20	DDGD	
COC(=O)[C@@H]1[C@H](O)CCCN1C[C@H](CBr)C1CC1	859269161	KGXACNJVDPCIEY-TUAOUCFPSA-N	320.227	1.406	50	20	DDGD	
CC1CC(C#N)(C(=O)NNC(=O)c2ccc3c(c2)OCO3)C1	758151746	YAUJZDYIYSJUIC-UHFFFAOYSA-N	301.302	1.116	50	20	DDGD	
COc1cccc(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1C	852394543	UNYHHJQIPKDMJP-YPMHNXCESA-N	321.377	1.259	50	20	DDGD	
CCCC(=O)NC1CCN(C(=O)NNC(=O)C2CCCC2)CC1	753333646	AFYQYXJVOXPKDE-UHFFFAOYSA-N	324.425	1.298	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNc1ncc(Cl)cn1	857357117	HMWSGZZSEJGWMK-UHFFFAOYSA-N	309.757	1.929	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(F)c(F)c1F	853313933	HTCBWQMCPIBITM-QMMMGPOBSA-N	304.268	1.606	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnc(OCc2ccccc2)cn1	757877253	LPBVVQVIVZMUGU-UHFFFAOYSA-N	315.333	1.020	50	20	DDGD	
O=C(CCn1cccc1)NNC(=O)c1ccc(Cl)cc1O	751063180	MEFWVANUIWFZFL-UHFFFAOYSA-N	307.737	1.698	50	20	DDGD	
CN(C)CCCNC(=O)NNc1cc(C(F)(F)F)ccn1	858103849	TYCOJULPTBIDFZ-UHFFFAOYSA-N	305.304	1.678	50	20	DDGD	
CCN1CCOC[C@H]1C(=O)OC[C@H](CBr)C1CC1	859619782	VWULVUVMMJHAJB-RYUDHWBXSA-N	320.227	1.671	50	20	DDGD	
C[C@@H]1C[C@H]1c1ccc(CCC(=O)NNC(=O)c2cc[nH]n2)o1	855362753	UKTOIZFYSWJMBA-MWLCHTKSSA-N	302.334	1.520	50	20	DDGD	
CCCC(=O)N1CCC[C@@H]1C(=O)NNc1ncc(Cl)cn1	857728883	CKFWCQADZQTUQE-SNVBAGLBSA-N	311.773	1.364	50	20	DDGD	
O=C(Cc1ccccc1O[C@@H]1CCOC1)NNc1cccnn1	857486400	KQWBQDUSDFJHNA-CYBMUJFWSA-N	314.345	1.330	50	20	DDGD	
C[C@@]1(CN2C(=O)[C@@H]3[C@H]4CC[C@H](C4)N3C2=O)C[C@H]1Br	925006476	WZKAXEHADNDYHF-YYLDOJIMSA-N	313.195	1.975	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cccc(-c2cnco2)c1	854684182	ZJLMBDQWCANYJP-CYBMUJFWSA-N	315.329	1.672	50	20	DDGD	
C[C@]1(CNC(=O)c2cc(F)cnc2O)C[C@@H]1Br	857407879	MYPOPPVRFMXVLQ-GZMMTYOYSA-N	303.131	1.830	50	20	DDGD	
C#CCNC(=S)NNC(=O)Nc1cc(OC)ccc1Cl	758245741	JCKRRQZLNATVAA-UHFFFAOYSA-N	312.782	1.482	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@H](COC)c1ccc(CC)o1	754348615	UIPQYVKRWHCIBB-ZYHUDNBSSA-N	311.382	1.065	50	20	DDGD	
O=C(NN=C1CCc2c(O)cccc21)[C@@H]1CN2CCC[C@@H]2CO1	853388263	GQVBFYYXQRQOGG-BZNIZROVSA-N	315.373	1.022	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCCCc1ccc2c(c1)OCCO2	758894410	KULOEUWGLOPAOJ-UHFFFAOYSA-N	321.377	1.377	50	20	DDGD	
Cn1nc(C(=O)NCCCSC#N)c2ccccc2c1=O	854363872	QSZGPXZRMYLXSK-UHFFFAOYSA-N	302.359	1.268	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCC2(C)OCCO2)c1	858361489	SBWSFIJHULRGIU-UHFFFAOYSA-N	313.379	1.154	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1c(F)ccc(O)c1F)C1CC1	855096725	DBDHQQJEAMDARI-LURJTMIESA-N	315.345	1.578	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)CCC2(O)CCC2)c1	864459967	RJHWMINXIFOQIU-UHFFFAOYSA-N	320.389	1.525	50	20	DDGD	
Cc1csc(C(=O)NNC(=S)NC[C@@H]2CCCCO2)c1	863205029	OTAXASIQUHMUDG-JTQLQIEISA-N	313.448	1.735	50	20	DDGD	
O=C(CC(F)(F)C(F)(F)F)NNC(=O)c1cccc(F)n1	869314624	SJEBNYSFQDPQIA-UHFFFAOYSA-N	315.173	1.569	50	20	DDGD	
C[C@H](NNC(=O)c1ccc(CNC(N)=O)cc1)C(F)(F)F	862305715	UEBKVXRPUZLNPK-ZETCQYMHSA-N	304.272	1.040	50	20	DDGD	
CC(C)c1ccccc1NC(=O)NNC(=O)[C@H]1CCC(=O)N1	860240337	GVFVPQBOCSCUQQ-GFCCVEGCSA-N	304.350	1.241	50	20	DDGD	
COCc1nc(C)c(C(=O)NNC(=O)c2ccccc2O)s1	760118358	QJKYHZXGRXEEFH-UHFFFAOYSA-N	321.358	1.378	50	20	DDGD	
COCCOCC(=O)NNC(=O)/C=C(\C)c1ccc(F)cc1	869909376	UBJOQSCWKDRCOJ-PKNBQFBNSA-N	310.325	1.039	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cc2c(cc1[N+](=O)[O-])OCO2	762081084	UCPICVMZWHVCDI-UHFFFAOYSA-N	321.224	1.010	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)Cc2csc3nccn23)n1	768154693	HBNGCUMLLZEMQF-UHFFFAOYSA-N	322.781	1.833	50	20	DDGD	
COC[C@](C)(NC(=O)NNc1cccc(OC)n1)C(F)(F)F	932334844	RAVPSXFBLCAWRP-NSHDSACASA-N	322.287	1.684	50	20	DDGD	
O=C([C@@H](OC1CCCC1)c1ccccc1)N1CC[C@@H](B(O)O)C1	864234819	WKLTZDONNDFBMB-ZBFHGGJFSA-N	317.194	1.762	50	20	DDGD	
Cc1cccc(O)c1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	860390393	SFCDLEAIEDWRFX-NSHDSACASA-N	322.361	1.439	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNCC(F)(F)C(F)(F)F	863097134	DUGBFEIGXTYVLR-UHFFFAOYSA-N	306.231	1.394	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNc1ccc(OC(F)(F)F)cc1	866872720	BFRHPEHKIJPOBS-NSHDSACASA-N	319.283	1.943	50	20	DDGD	
COc1ccccc1C(C)(C)C(=O)NNc1nnc(C)c(O)n1	768927665	IRNKPFRBSCOXND-UHFFFAOYSA-N	317.349	1.315	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2c(C)n[nH]c2C)cc1	1116721284	STULIHUVDNRWNI-UHFFFAOYSA-N	302.334	1.039	50	20	DDGD	
COCC1(C(=O)NNC(=S)Nc2ccc(OC)nc2)CCC1	874955212	LWTDHULCSFYPJI-UHFFFAOYSA-N	324.406	1.225	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN[C@@H]1CCO[C@H]1c1ccccc1	879090167	RFGJMGUTIFQFJY-HIFRSBDPSA-N	319.405	1.300	50	20	DDGD	
COc1cc(C#N)ccc1OCC(=O)NCCCSC#N	773570474	FSJSIGCDNOIJAJ-UHFFFAOYSA-N	305.359	1.666	50	20	DDGD	
Cc1ccc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)n1C	771964321	JESOEZZRFKOBRW-LLVKDONJSA-N	309.366	1.072	50	20	DDGD	
CCO[C@H](CCNC(=O)NN(C)C(=O)OC)C1CCCC1	875339134	XGCGWJQGMOMOON-GFCCVEGCSA-N	301.387	1.884	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1ccc2cc[nH]c2n1	779382097	XZPBYIKYQBPGPQ-UHFFFAOYSA-N	321.300	1.765	50	20	DDGD	
O=C(CO[C@H]1CCOC1)NNc1ccccc1C(F)(F)F	1116201355	PPINARBJETXSBJ-VIFPVBQESA-N	304.268	1.954	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)Cc1ccccc1F	772139902	ODWSJNWBWWQKGY-GHMZBOCLSA-N	324.352	1.493	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1ccc2c3c(cccc13)CC2	872333048	YJVNGOHPDVZZJP-UHFFFAOYSA-N	320.370	1.878	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NCCOCC(=O)O)cc1	874408708	KYGSKZVHTRMYKL-UHFFFAOYSA-N	309.366	1.711	50	20	DDGD	
N#Cc1cccc(NNC(=O)C(=O)Nc2cnn(CC3CC3)c2)c1	773681550	XHHBXAUXHMLZKU-UHFFFAOYSA-N	324.344	1.247	50	20	DDGD	
CN(C)CCOc1ccc(/C=C\C(=O)NNC(=O)C2CC2)cc1	779580290	YKNIISPZACUKPL-YHYXMXQVSA-N	317.389	1.198	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CSc1nncs1	777827663	GPHBUGGTADLDMC-UHFFFAOYSA-N	324.387	1.560	50	20	DDGD	
CCC[C@H](NC(=O)NNC(=O)c1cccnn1)C1CCCC1	883688061	HKSKNYWEXGGDHD-LBPRGKRZSA-N	305.382	1.780	50	20	DDGD	
CC(C)(C)c1nc(C(=O)NNC(=O)C2CCOCC2)cs1	883062926	WSAJNAGFYYFLJZ-UHFFFAOYSA-N	311.407	1.628	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1	883466903	YWAUUOZETOWDMG-FPMFFAJLSA-N	309.410	1.712	50	20	DDGD	
Cc1ncsc1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	772009912	NYHMQHZFSGEEQK-SECBINFHSA-N	313.379	1.190	50	20	DDGD	
COc1cccc(CCNS(=O)(=O)CCCCl)c1OC	881798019	GHBRYPBEVHSCBC-UHFFFAOYSA-N	321.826	1.795	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)COc2ccc(F)cc2)sc1C	770683472	VCJQOAVHMUULNM-UHFFFAOYSA-N	323.349	1.739	50	20	DDGD	
COc1ccc(C(=O)NNC(C)=O)c(OCCOC(C)C)c1	789726949	HHJMCGSVVIJSSD-UHFFFAOYSA-N	310.350	1.280	50	20	DDGD	
COc1ccc(NNC(=O)Nc2ccnc(CN(C)C)c2)nc1	880611814	DASINQIVLMLYBQ-UHFFFAOYSA-N	316.365	1.695	50	20	DDGD	
O=S(=O)(CCCCl)N1CCO[C@@H](Cc2ccccc2)C1	882045913	PFGBVIDTQLNQNH-AWEZNQCLSA-N	317.838	1.889	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cc(O)cc([N+](=O)[O-])c1	780332448	DLFBYDQDBQKUOR-UHFFFAOYSA-N	318.245	1.966	50	20	DDGD	
Cn1c(=NNC(=O)NCCCCCCO)sc2ccccc21	787881985	HMDGZLBRQJDLQY-UHFFFAOYSA-N	322.434	1.907	50	20	DDGD	
CC(=O)Nc1cccc(C(=O)NNC(=O)c2c[nH]nc2C)c1C	785416001	RDSUOLXYGLEWCB-UHFFFAOYSA-N	315.333	1.060	50	20	DDGD	
O=C(NN=Cc1cccc(NC(=O)C(F)(F)F)c1)C(F)F	782237096	JOMVRONBEVGZNQ-UHFFFAOYSA-N	309.194	1.903	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc(-c2ccco2)cc1F	787543015	DRIGNBXFMXMFBU-UHFFFAOYSA-N	305.265	1.192	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ncsc1C(F)(F)F	788267025	RNVJETNSCGKWAD-UHFFFAOYSA-N	318.280	1.575	50	20	DDGD	
C[C@H](NS(=O)(=O)CBr)C(=O)Nc1ccccc1	782438075	RZZNBCLWQUYARU-QMMMGPOBSA-N	321.196	1.285	50	20	DDGD	
Cc1nnc(SCC(=O)NNC(=O)C(C)(C)C)c(C#N)c1C	781378377	ILYYMBFYTURHIA-UHFFFAOYSA-N	321.406	1.251	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1ccc(CN2CCCCC2=O)cc1	781019865	NZWINTWCIGNIAP-UHFFFAOYSA-N	324.384	1.773	50	20	DDGD	
CCCOCC(=O)NNC(=O)c1cc(C)nc2ccccc12	799008922	GLRULVHTSQHVQL-UHFFFAOYSA-N	301.346	1.731	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCc1cn2ccccc2n1	791013735	YMGLVRJHENUUOB-UHFFFAOYSA-N	310.361	1.907	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42	795115955	PCMOPXGQGGPGCM-JJOYTJOQSA-N	322.372	1.190	50	20	DDGD	
CC(=NNC(=O)Cc1cn2ccccc2n1)c1cc(C)n(C)n1	799880935	FWQILQIDMXPQMW-UHFFFAOYSA-N	310.361	1.459	50	20	DDGD	
CN1C(=O)COc2cc(NC(=O)NNc3ccccn3)ccc21	799245463	GAQQSPDXFAXILE-UHFFFAOYSA-N	313.317	1.585	50	20	DDGD	
Cn1cc(C(=O)CCC(=O)NN=c2cc[nH]c3ccccc23)cn1	795085565	MLEVNAOEESICMZ-UHFFFAOYSA-N	323.356	1.496	50	20	DDGD	
C[C@H](Oc1ccc(C=O)cc1)C(=O)NNC(=O)NCC1CC1	795587669	NVURHCBWHGBBGX-JTQLQIEISA-N	305.334	1.007	50	20	DDGD	
CC(C)(Oc1ccccc1)C(=O)NNC(=O)Cc1ccncc1	1318951685	RMMGNOHXQFAGPJ-UHFFFAOYSA-N	313.357	1.629	50	20	DDGD	
Cc1cc(C)c(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)[nH]1	1320677802	OTXOYGUYFMEKGF-NSHDSACASA-N	309.366	1.370	50	20	DDGD	
CSc1nc(O)nc(C)c1C(=O)NN[C@H](C)C(F)(F)F	1329156747	JPCDBTMUEDGMQJ-RXMQYKEDSA-N	310.301	1.398	50	20	DDGD	
C[C@H]1CC[C@@H](CCC(=O)NNC(=O)c2n[nH]c3c2CCCC3)O1	1323282710	HFXVCYRDICFVLH-QWRGUYRKSA-N	320.393	1.397	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CCc2c(O)cccc21	1328142690	DNPATOQGYPPWMR-OUJBWJOFSA-N	319.361	1.135	50	20	DDGD	
CCOC(=O)c1ncc(C(=O)NNc2cc(C)ccn2)s1	1323712481	WJOKMXDEOADZGW-UHFFFAOYSA-N	306.347	1.780	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ncc(Cl)s2)n1	1321193302	KNYPAZXVMVFXPI-UHFFFAOYSA-N	305.150	1.579	50	20	DDGD	
C[C@@]1(CNC(=O)NCc2csc(N)n2)C[C@@H]1Br	1336152017	VTYUHSYOIVZUHT-XVKPBYJWSA-N	319.228	1.698	50	20	DDGD	
C[C@]1(COC(=O)c2ccoc2CC(N)=O)C[C@@H]1Br	1344049451	PMIXYTOQACFTMQ-JOYOIKCWSA-N	316.151	1.638	50	20	DDGD	
CCn1cc([C@@H](C)NC(=O)NNc2nncc(N)c2Cl)cn1	1261295539	BRZIDAUCAIUZNL-SSDOTTSWSA-N	324.776	1.316	50	20	DDGD	
C[C@@H]1Nc2ccnn2[C@@H](C)[C@H]1CCC(=O)NNC(=O)C1CCC1	1345933435	YIQJRMGLZDGLPR-GVXVVHGQSA-N	319.409	1.602	50	20	DDGD	
COCc1nn(C)cc1C(=O)OC[C@@]1(C)C[C@H]1Br	1345220700	TVIQPLXKHGDRQS-ZYHUDNBSSA-N	317.183	1.897	50	20	DDGD	
C[C@@]1(COC(=O)c2cn(C3CC3)nn2)C[C@H]1Br	1263537759	XPISMKHLIKHUEV-KOLCDFICSA-N	300.156	1.943	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)[C@H]2C[C@@H]2F)cc1OC	1348434226	OCXYURCNBBLQFY-QWRGUYRKSA-N	310.325	1.603	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	1350717299	LJFSWORCSWIIDV-ZDUSSCGKSA-N	322.752	1.789	50	20	DDGD	
CCn1c(C(=O)NNC(=O)COCCOC)cc2ccccc21	1352011180	VKTHMVZCGJUICF-UHFFFAOYSA-N	319.361	1.085	50	20	DDGD	
COC12CCC(C(=O)NNC(=O)C3CCCC3)(CC1)C(=O)C2	1527443997	WYXSRDCTDCQZAT-UHFFFAOYSA-N	308.378	1.242	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1ccc(-n2cnnc2)cc1	1601561187	UEWJESHQRUMXBV-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)N[C@@H]1CC=C(C(=O)O)C1	1608482182	WCOQJDUTSDPKDY-SSDOTTSWSA-N	315.251	1.903	50	20	DDGD	
O=C(NNc1cccc(F)n1)C(=O)Nc1ccsc1C(=O)O	1601560996	JTEVMHPHPNFROG-UHFFFAOYSA-N	324.293	1.062	50	20	DDGD	
Cc1cc(CCC(=O)NNc2ccc(C(=O)O)cc2F)n[nH]1	1600187918	AWMBFXFGVRWUNG-UHFFFAOYSA-N	306.297	1.631	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2cccc(C(=O)O)c2)c2nccn21	1609845185	QNOKKHZHKGGWHI-CABZTGNLSA-N	315.333	1.913	50	20	DDGD	
O=C(CCc1ccco1)NNC(=O)c1ccc(C(=O)O)cc1F	1601292652	IRIWTFYWTOSNJQ-UHFFFAOYSA-N	320.276	1.511	50	20	DDGD	
C[C@H](CO)CCCNC(=O)NNc1ccc(C(=O)O)cc1F	1609746629	LRJXWBJNSNVWJX-VIFPVBQESA-N	313.329	1.559	50	20	DDGD	
Cc1cc(C(=O)O)oc1C(=O)NNC(=O)c1ccc(C#N)cc1	1600133827	XTGSMDSMYXWGTR-UHFFFAOYSA-N	313.269	1.233	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)[C@@H](C(=O)O)C(C)(C)C)nn1	1602922849	AUEPHAAOHYNLJZ-NSHDSACASA-N	308.382	1.964	50	20	DDGD	
O=C(Cc1cc(F)ccc1O)NNc1cccc(C(=O)O)c1	1601355394	ZFAYKZFMYUIIMK-UHFFFAOYSA-N	304.277	1.915	50	20	DDGD	
O=C(NCC[C@H]1CCCCO1)NNc1cccc(C(=O)O)c1	1608441130	TXBZZRVXNNXWIO-CYBMUJFWSA-N	307.350	1.970	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)C2(C(=O)NC3CC3)CC2)cc1F	1602382381	KTLSJBVCNSKXBX-UHFFFAOYSA-N	321.308	1.026	50	20	DDGD	
COCc1cncc(C(=O)NNc2cccc(F)c2C(=O)O)c1	1606972377	UNTITBQRLUTJJL-UHFFFAOYSA-N	319.292	1.822	50	20	DDGD	
COc1ccccc1C(=O)NN=Cc1cc(C(=O)O)n(C)c1	1610364700	PWPUHIUFQXMUNL-UHFFFAOYSA-N	301.302	1.496	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC[C@H](C(=O)O)CC1)c1cccc(Cl)c1	1610699840	GMNQAIDWLVIOIK-MGCOHNPYSA-N	324.764	1.992	50	20	DDGD	
CC1(C)CCN[C@H]1C(=O)NNC(=O)c1c[nH]c2ccccc12	1576443043	RWEMKXGTIVKIEO-ZDUSSCGKSA-N	300.362	1.317	50	20	DDGD	
CC(C)C[C@@H](N)C(=O)NNc1cc(Br)ncn1	1575626516	HXBSTKPGHYIWDQ-SSDOTTSWSA-N	302.176	1.056	50	20	DDGD	
COCC[C@H](N)C(=O)NNc1c(C)cccc1Br	1573977568	GVIYFQIUGRJYNE-JTQLQIEISA-N	316.199	1.564	50	20	DDGD	
CS(=O)(=O)SCCNC(=O)[C@@H](CN)C1CCCCCC1	1579349171	VJGLNCPEUFTWGB-LBPRGKRZSA-N	322.496	1.341	50	20	DDGD	
O=C(NNc1ncccc1Br)[C@@H](F)[C@H]1CCNC1	1580743036	NUUHCPUDUBAQSY-CBAPKCEASA-N	317.162	1.235	50	20	DDGD	
NC[C@]1(C(=O)NNc2nc(C(F)(F)F)cs2)CCCOC1	1580236181	UNRGSFBJUHBOSK-SNVBAGLBSA-N	324.328	1.361	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCNC1)c1cc2sccc2s1	1580732403	BURXCFNAZHZAJQ-QMMMGPOBSA-N	309.416	1.723	50	20	DDGD	
C#CC[C@@H](CCOC)NC(=O)NNc1cccc(C(=O)O)c1F	1588393176	CNUNTZXNHYQEGV-JTQLQIEISA-N	323.324	1.578	50	20	DDGD	
O=C(CC1CCCCC1)NNc1ccc(-c2nn[nH]n2)cn1	1592820256	PTNJKDVFEPFBMA-UHFFFAOYSA-N	301.354	1.675	50	20	DDGD	
CCc1[nH]c(C(=O)NN[C@@H](C)C(F)(F)F)c(C)c1C(=O)O	1597383629	FGENSCBFAYOODN-LURJTMIESA-N	307.272	1.769	50	20	DDGD	
COc1ccc(C)c(C=NNC(=O)c2ccon2)c1C(=O)O	1776105822	GMXPHYPFZBKYTD-UHFFFAOYSA-N	303.274	1.454	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NC[C@H]2CCCS2)cc1	158940250	FQGSOQYZCXUBSV-GFCCVEGCSA-N	304.375	1.398	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNC(=O)Cc1c[nH]c2ccccc12	163302127	NZBQDFJKMNSIRK-LBPRGKRZSA-N	318.377	1.466	50	20	DDGD	
CC(C)n1cnnc1SCC(=O)NNc1cccc(C#N)c1	152575829	OMWGEMGLJKSWPS-UHFFFAOYSA-N	316.390	1.966	50	20	DDGD	
CCOCCN(CC)CC(=O)NNC(=O)c1cccc(C)c1	157572673	VTNFGGIAEKYKSC-UHFFFAOYSA-N	307.394	1.114	50	20	DDGD	
O=C(NNc1ccccc1F)C(=O)Nc1ccc2c(c1)COC2	155642473	FOSFYKNMXXPJFQ-UHFFFAOYSA-N	315.304	1.938	50	20	DDGD	
CN(Cc1ccc2c(c1)OCCO2)S(=O)(=O)CCCCl	36881773	NBSWJJVQSQODQI-UHFFFAOYSA-N	319.810	1.848	50	20	DDGD	
CCN(C)C(=O)c1cccc(C(=O)NNC(=O)C(C)(C)C)c1	104269342	QSRVSVNSRFTTAM-UHFFFAOYSA-N	305.378	1.586	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)Nc2ccc(N(C)C)cc2)no1	105510563	WWQOUYMKKVZYEK-UHFFFAOYSA-N	319.390	1.680	50	20	DDGD	
CCCN(CCC)C(=O)CCC(=O)NNC(=O)c1ccncc1	109245651	KUFUNTUJGCJDGB-UHFFFAOYSA-N	320.393	1.271	50	20	DDGD	
O=C(NCC(F)F)NNC(=O)c1cccc(OC(F)F)c1	174378085	FEAKXUBMIJGSBK-UHFFFAOYSA-N	309.219	1.497	50	20	DDGD	
O=C(CCC1CCC1)NNC(=O)[C@H]1COc2ccccc2O1	175253103	SQXQSFXWLDWIDF-CQSZACIVSA-N	304.346	1.554	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CCc2ccoc2)cc1	175522626	HAMFSDROJDEMSD-UHFFFAOYSA-N	301.346	1.780	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1cc2c(cc1[N+](=O)[O-])OCCO2	28804963	KPKBYBIOKFTSFH-CMDGGOBGSA-N	319.273	1.748	50	20	DDGD	
Cc1[nH]c(-c2ccccn2)n/c(=N/NC(=O)[C@@H]2CCOC2)c1C	114891680	NWSHYTYWANQIGM-GFCCVEGCSA-N	313.361	1.057	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2C1)NC1CCCC1	68283911	RCLSENLMKSLNKU-GFCCVEGCSA-N	303.362	1.511	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CCOc1ccccc1)n1cccn1	61476139	BANFKGNOKOXLJG-GFCCVEGCSA-N	302.334	1.061	50	20	DDGD	
CCCC[C@H]1CCC[C@H]1NC(=O)NNC(=O)c1cnn(C)c1	117964877	GFIXOPZKJUYXIN-WCQYABFASA-N	307.398	1.723	50	20	DDGD	
C[C@H]1CCCC[C@@H]1OCC(=O)NNC(=O)NCc1ccco1	112881979	XCNMCYKFIHYWME-AAEUAGOBSA-N	309.366	1.705	50	20	DDGD	
CC1=C(C(=O)NNc2nc(-c3ccncc3)no2)CCCO1	127499150	QTOXDVHXLZTDIS-UHFFFAOYSA-N	301.306	1.659	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc(-n2cccn2)cc1	72753754	YPWJIVSVVIGJPP-UHFFFAOYSA-N	309.329	1.286	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NC1CCCC1	31026360	NUGCVHODDCWMKM-SNVBAGLBSA-N	309.341	1.866	50	20	DDGD	
Cc1cnc([C@H](C)CNC(=O)NNC(=O)c2ccc[nH]2)s1	183204505	PBCDZXVNVNVCEK-MRVPVSSYSA-N	307.379	1.527	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCc2nncn2CC)cc1	79477294	BOEFUTLPEZOUDG-UHFFFAOYSA-N	316.365	1.005	50	20	DDGD	
Cc1cc(C(=O)N/N=c2/nc(-c3ccccn3)[nH]c(C)c2C)no1	129575396	FIVMEZGIXZFURH-UHFFFAOYSA-N	324.344	1.631	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NNC(=O)Cc1ccncc1	127334027	MIWHBRAFGIKLNM-STQMWFEESA-N	315.398	1.945	50	20	DDGD	
O=C(CO)NNC(=O)c1ccc(-c2nc3ccccc3s2)o1	180945003	ACKNLIHANAPYAR-UHFFFAOYSA-N	317.326	1.310	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCCC(=O)N(C)C)c1ccccc1	73552632	DQOFQOUHDGVLOY-CQSZACIVSA-N	319.405	1.586	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)Nc1ccc(C)cc1	77516728	AWIGVDGHWZKXSL-UHFFFAOYSA-N	306.366	1.453	50	20	DDGD	
O=C(NNc1nnc(C2CC2)s1)c1ccc([N+](=O)[O-])c(O)c1	184480679	RXQCURPHPDFZFB-UHFFFAOYSA-N	321.318	1.786	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1cnc2sccn2c1=O	184321869	DROKHNQBFLRCDQ-UHFFFAOYSA-N	318.333	1.960	50	20	DDGD	
O=C(COCC(F)(F)F)NNC(=O)c1cccc(Cl)c1	48499493	IHOFTFMZXMKTLF-UHFFFAOYSA-N	310.659	1.680	50	20	DDGD	
CCc1cnc(NC(=O)C(=O)NNc2ccccc2F)s1	190722134	QCELTMBSSUOFEC-UHFFFAOYSA-N	308.338	1.926	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)CCOCc1ccccc1)C1CC1	83676924	PDUFAOOGMNLSJG-GFCCVEGCSA-N	321.446	1.887	50	20	DDGD	
COc1cc(CN2CC[C@@H](NC=C(C#N)C#N)C2)cc(OC)c1	86962264	LIRMFQYETVEYGS-OAHLLOKOSA-N	312.373	1.799	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNc1cccc(S(C)(=O)=O)c1	190430232	KOHRGUHSRGOCMB-UHFFFAOYSA-N	307.375	1.494	50	20	DDGD	
Cc1cccc(OCCCCC(=O)NNC(=O)C(C)(C)O)c1	190053302	CGSISSGAZZPHKO-UHFFFAOYSA-N	308.378	1.462	50	20	DDGD	
CN(NC(=O)NNC(=O)c1ccc(C#N)cc1)c1ccccc1	144598770	ZIGYVIILRBMPKI-UHFFFAOYSA-N	309.329	1.554	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2C[C@H](C)CC2(C)C)n1	266926037	KFMGOAPYZHNBAB-SNVBAGLBSA-N	324.450	1.262	50	20	DDGD	
COCCOc1ccccc1CNC(=O)NNC(=O)C1CCC1	264776467	XDKQAVLYBJPDDR-UHFFFAOYSA-N	321.377	1.342	50	20	DDGD	
O=C(CSC[C@@H]1CCCCO1)NNC(=O)c1ccccn1	263832251	CPMJVKSEVDSLNJ-NSHDSACASA-N	309.391	1.145	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@H]2CSCCS2)cc1	267441405	BVPBYGBWJWTCNK-LLVKDONJSA-N	307.400	1.168	50	20	DDGD	
O=C(CC[C@H]1CCCO1)NNc1nc(-c2cccnc2)no1	263947024	JIFJNNLVLXSVDR-LLVKDONJSA-N	303.322	1.534	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C(C)(C)NC(=O)OC)c1ccccc1	264624817	AORVKQSWLMIFDU-GFCCVEGCSA-N	321.377	1.462	50	20	DDGD	
CC[C@H](OC1CCCCC1)C(=O)NNC(=O)c1ccccn1	268457713	SKOCKZXKJRBBHF-AWEZNQCLSA-N	305.378	1.971	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2COCCN2C2CCCC2)n1	369085893	TZONTOOTMRRRPU-ZDUSSCGKSA-N	320.393	1.177	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](C)Oc1cccc(C(C)=O)c1	271452476	UYBVQUOHEMPLGQ-LLVKDONJSA-N	307.350	1.349	50	20	DDGD	
CC(C)Cn1cc(NC(=O)NNC(=O)c2ccccn2)cn1	273355783	COUSVWLNHLYGNS-UHFFFAOYSA-N	302.338	1.401	50	20	DDGD	
Cc1cc(N2CCC(NC(=O)NNC(=O)CC(C)C)CC2)[nH]n1	275897720	SUDITQPAGTZIOP-UHFFFAOYSA-N	322.413	1.063	50	20	DDGD	
COc1ccc2c(c1)[C@H](C(=O)NNc1nccc(OC)n1)CC2	277179161	GVGRKLAZDIDREX-GFCCVEGCSA-N	314.345	1.667	50	20	DDGD	
CSc1nnc(CNC(=O)NNC(=O)CC(C)(C)C)s1	275394783	HEABDPMLKWISDJ-UHFFFAOYSA-N	317.440	1.527	50	20	DDGD	
COC(C)(C)CC(=O)NNC(=O)c1ccc(Cl)cc1O	278713314	GTCCXKDBQYHZCK-UHFFFAOYSA-N	300.742	1.622	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)n1	274176255	DDVDNJDLRYCNGE-WDEREUQCSA-N	307.354	1.069	50	20	DDGD	
O=S(=O)(CBr)NC[C@@]1(O)CCc2ccccc21	370073793	RCYZIFSAHDCLPN-NSHDSACASA-N	320.208	1.092	50	20	DDGD	
O=C(CC[C@@H]1CCCO1)NNC(=O)CSc1ccccc1O	270746239	YZNJGMZUGZSJOB-NSHDSACASA-N	324.402	1.591	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	286313983	KPECXYIHSOKDFL-UHFFFAOYSA-N	308.294	1.512	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccnc1N1CCCCC1	280897873	DNNUZIHEUWBHIH-UHFFFAOYSA-N	319.434	1.367	50	20	DDGD	
C[C@@H](CN(C)C)NC(=O)NNc1ccc2c(O)nccc2c1	288071461	QVRCFMNVRVDOOY-JTQLQIEISA-N	303.366	1.517	50	20	DDGD	
COCCc1ccnc(NC(=O)NNC(=O)CC(C)(C)C)c1	287471942	WMELMPXTMOOFTI-UHFFFAOYSA-N	308.382	1.859	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1cc2c(cn1)OCCC2	377079965	TVKUNJFVKATQGQ-UHFFFAOYSA-N	321.340	2.107	50	20	DDGD	
COC(=O)[C@H]1CC[C@H]1C(=O)NNc1cc(F)c(F)cc1F	285874035	WAZPGVMZKSPNMJ-RQJHMYQMSA-N	302.252	1.746	50	20	DDGD	
CC[C@H](C(=O)NNc1ccc2c(O)nccc2c1)C(=O)OC	285750869	QHJFDRDILQIQIL-LLVKDONJSA-N	303.318	1.583	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H]2CCOC[C@@H]2C)c1	287907309	PYEZBGZZTQHISF-WCQYABFASA-N	321.377	1.772	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)O1	282465023	HNIJVKVCFRJWTQ-GYSYKLTISA-N	305.378	1.327	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1c(C)nsc1C	294564764	FKZHGUZEPDZBCO-UHFFFAOYSA-N	319.386	1.772	50	20	DDGD	
CC(C)c1ccc(OCC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	295282444	CUINQONUEKDQMA-HNNXBMFYSA-N	320.389	1.905	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)Nc2ccccc2)nc1	801986753	GNNZHTBMMNXIHQ-UHFFFAOYSA-N	314.301	1.335	50	20	DDGD	
CC(C)(C)CCNC(=O)NNc1ccc(-n2ccnc2)nn1	804909665	PRFMEDLTVVEKIX-UHFFFAOYSA-N	303.370	1.725	50	20	DDGD	
Cc1ccc(CCC(=O)NNC(=O)N=c2cc[nH]cc2)c(C)c1	802024885	XWBQBQCPBBDRIF-UHFFFAOYSA-N	312.373	1.906	50	20	DDGD	
Cc1ccc(C2(C(=O)NNC(=O)CC3CC3)CCOCC2)cc1	294325552	YNNWHYQHDXHASK-UHFFFAOYSA-N	316.401	1.991	50	20	DDGD	
O=C(NNC(=O)C1[C@H]2CCC[C@H]12)Nc1ccc2c(c1)OCO2	802106584	LFAFDCCLOJWFAJ-UWVGGRQHSA-N	303.318	1.614	50	20	DDGD	
CC(C)(C)CNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	298702844	KAXFIUUMUSVATH-LBPRGKRZSA-N	307.350	1.203	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC2(CCNC2)CC1	293759037	WZYSGOACNWPJOT-UHFFFAOYSA-N	324.856	1.954	50	20	DDGD	
C[C@@]1(F)CCCN(C(=O)NNC(=O)COCc2ccccc2)C1	296460363	POOMYEZEJKVJHL-MRXNPFEDSA-N	323.368	1.768	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@H]2CCCCO2)cc(C#N)n1C	299263140	ZHNXVWPBFGKAKM-SNQWNFELSA-N	312.373	1.797	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1cc2ccccn2n1	806649466	GIAQMNQYYPLKAN-UHFFFAOYSA-N	301.228	1.439	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@@H]1CCCN1c1ncccn1	804767417	LRXVKHSMSMFIIM-JTQLQIEISA-N	302.313	1.123	50	20	DDGD	
Cc1oc(C(C)C)cc1C(=O)NNC(=O)N1CCN(C)CC1	807380094	OVMAYTKRBPBBKB-UHFFFAOYSA-N	308.382	1.313	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CCC(C)(C)[N+](=O)[O-]	296278011	QUIWWYJGXJDWJT-UHFFFAOYSA-N	308.338	1.983	50	20	DDGD	
COc1ccc(CCCC(=O)NNc2nnc[nH]2)c(OC)c1	298538563	WGDUSHCIFLIIJQ-UHFFFAOYSA-N	305.338	1.288	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc(C#N)cc(N(C)C)c2)n1	293908704	AAGIBPFTSKPPPH-UHFFFAOYSA-N	310.361	1.788	50	20	DDGD	
CC(C)Oc1cccc(NC(=O)NNC(=O)c2cnn(C)c2)c1	297395271	YLIKPMHQJMWRHF-UHFFFAOYSA-N	317.349	1.674	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccc(C)nc2)cc1	802054561	IJVPUZWJNZTIGU-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
CC[C@@H](C)CONC(=O)NNC(=O)CCc1ccc(OC)cc1	291743907	JLYLPGRDUZUYOC-GFCCVEGCSA-N	323.393	1.936	50	20	DDGD	
Cc1ccccc1OCCCC(=O)NNC(=O)[C@@H]1CCCCO1	295552569	MBNHHLAJSZRYIB-HNNXBMFYSA-N	320.389	1.871	50	20	DDGD	
C=CCCCCCCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1	807572703	PWIVUPBUVAOGEQ-CQSZACIVSA-N	317.455	1.504	50	20	DDGD	
Cc1nc2ccc(NC(=O)C(=O)NNc3ccccc3)cn2n1	810379676	IMOJLCNPUILOBN-UHFFFAOYSA-N	310.317	1.120	50	20	DDGD	
N#Cc1ccc(C(=O)NN=Cc2cnn(CC(F)F)c2)cc1	814219783	RCSOIPQAYVBEGS-UHFFFAOYSA-N	303.272	1.784	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cc(F)ccc1Cl	814316362	KXFQZOAMSZAUFD-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
CCNC(=O)N(C)NC(=O)COc1ccc(Cl)c(F)c1	816006744	LGSSAWIKRBDSHW-UHFFFAOYSA-N	303.721	1.550	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(OC(F)F)cc1)c1cnnn1C	814857000	PQAQJVQLIUTQQC-UHFFFAOYSA-N	324.291	1.962	50	20	DDGD	
CN(C)CCc1ccc(C(=O)NNC(=O)c2ccccc2)cc1	816816876	LCLCPRXMZZUGHI-UHFFFAOYSA-N	311.385	1.866	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2c(F)ccnc2F)cc1	816821101	MCZBRDLEDMKFDP-UHFFFAOYSA-N	305.284	1.997	50	20	DDGD	
COc1cccc([S@@](=O)CC(=O)N2CC=C(C#N)CC2)c1	819447466	YWVWUTSGZQYHGV-NRFANRHFSA-N	304.371	1.485	50	20	DDGD	
C[C@@H]1C(=NNC(=O)c2ccc(O)c(O)c2)CC[C@H]1CC(=O)O	814921219	WMQCOXGOHMZLSM-IUCAKERBSA-N	306.318	1.704	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC(c2nc(N(C)C)n[nH]2)CC1	819673311	LVZRQWOCLRQCOZ-BENRWUELSA-N	318.381	1.021	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CC2CC2)c(-c2cccs2)n1	819123469	YXXGBUSVQFHJPU-UHFFFAOYSA-N	304.375	1.710	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)CSc1ccccc1O	814968473	FLRLIFSBOGAXNB-UHFFFAOYSA-N	318.402	1.985	50	20	DDGD	
CNC(=O)NNS(=O)(=O)c1c(C)sc2c(C)cccc12	817354741	IFOFBOBHJMYIHW-UHFFFAOYSA-N	313.404	1.640	50	20	DDGD	
CN1CCC(CC(=O)NNC(=O)c2cccc(C#N)c2)CC1	813440163	JQKOASBYWZRLGO-UHFFFAOYSA-N	300.362	1.051	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NNC(=O)CC2CC2)C1	819122889	KVSMHTWTEJDUIB-WCQYABFASA-N	309.410	1.219	50	20	DDGD	
O=C(CSC[C@H]1CCCCO1)NNC(=O)CC(F)(F)F	727485113	IGSDOVOSGRLDSN-MRVPVSSYSA-N	314.329	1.389	50	20	DDGD	
COc1ccc(-c2cncc(C(=O)NN(C)[C@@H](C)CO)c2)cc1	823946048	DHKFDKHWFORJMA-LBPRGKRZSA-N	315.373	1.715	50	20	DDGD	
CSc1ccccc1[C@H](C)NCC(=O)NNC(=O)C(C)C	829463823	PPTMCXYLCAKEHU-NSHDSACASA-N	309.435	1.863	50	20	DDGD	
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NN(C)[C@@H](C)CO	823983632	YHRHSBQNFSVCAZ-LRDDRELGSA-N	317.389	1.294	50	20	DDGD	
CC(C)Cc1ncc(C(=O)NNC(=O)c2cccc(F)n2)s1	826693216	ABAKMOZDLLVIJR-UHFFFAOYSA-N	322.365	1.951	50	20	DDGD	
COc1ccccc1[C@H](C)CC(=O)NNc1nnc(C)c(O)n1	728600609	MZMROIVZZMIFKD-SECBINFHSA-N	317.349	1.531	50	20	DDGD	
COC(=O)[C@H](C)CN(C(=O)/C(C#N)=C\c1cnn(C)c1)C1CC1	491138526	ZGPFQICSTAYWIZ-PZHUPROXSA-N	316.361	1.127	50	20	DDGD	
CCCCC[C@@H](O)CC(=O)NNc1ccc(-c2nn[nH]n2)cc1	825268775	XYMMRDJRGIGRSK-CYBMUJFWSA-N	318.381	1.641	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC	491043681	AGXXIVXAJBNRIZ-FZDNWWAKSA-N	302.330	1.331	50	20	DDGD	
CCC[C@@H](NC(=O)NNC(=O)c1ccc[nH]1)c1ccccn1	729612165	AQLVFCLETBEHOG-GFCCVEGCSA-N	301.350	1.895	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21)c1ccc(Cl)cc1F	906888153	AKTAJCSBFDEIGU-JFUSQASVSA-N	310.712	1.465	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C1(C)CCC(=O)CC1	825810774	RGOJNKKMVAXZKU-UHFFFAOYSA-N	304.346	1.606	50	20	DDGD	
C[C@H]1[C@H](C(=O)NNc2cccnn2)CCN1C(=O)OC(C)(C)C	492190578	VTNBFVLFABFUDN-WDEREUQCSA-N	321.381	1.565	50	20	DDGD	
COc1cc(O)ncc1C(=O)NC[C@@]1(C)C[C@H]1Br	826859164	PFUITFHTZNROKE-BXKDBHETSA-N	315.167	1.699	50	20	DDGD	
CC(C)Cn1ncc2cc(C(=O)NN(C)[C@@H](C)CO)cnc21	823964683	DDVLEBBFHKFHJP-NSHDSACASA-N	305.382	1.045	50	20	DDGD	
Cn1ncc(Cl)c1C=NNC(=O)CNC(=O)OC(C)(C)C	495528327	NLLWZYQFVQSPEP-UHFFFAOYSA-N	315.761	1.048	50	20	DDGD	
COc1cc2ccccc2cc1C(=O)NNC(=O)c1cnn(C)c1	735446414	WBGKDNDWZFICIM-UHFFFAOYSA-N	324.340	1.657	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2ccccc2F)C[C@@H]1Br	905088952	AMFWXDUBYVWCNZ-CABZTGNLSA-N	315.142	1.760	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=Cc1ccc(F)c(F)c1	730586549	LNHNRYPJHWGVHI-UHFFFAOYSA-N	324.312	1.442	50	20	DDGD	
COC(=O)/C(C#N)=C/c1ccc(OCC(=O)O)c([N+](=O)[O-])c1	731563884	XVDGKOGRLXVJJQ-RUDMXATFSA-N	306.230	1.138	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cn2nc(C)cc2C)c1F	837056765	BPNRYJYTWFDNMT-UHFFFAOYSA-N	320.324	1.569	50	20	DDGD	
COC[C@H](NCc1ccc(B(O)O)o1)c1cccc(Cl)c1	585041654	RVQFNEGRAZLUFZ-ZDUSSCGKSA-N	309.558	1.090	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1C(=O)O)c1cccc(C(F)(F)F)c1	739454033	NZTTYEMMDSRYRC-BDAKNGLRSA-N	316.235	1.187	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](COC)C(=O)O)cc1	833663430	JGXOBRFIQKTYAB-BCNIOPEESA-N	318.329	1.208	50	20	DDGD	
O=C(Cc1cccc(C(=O)O)c1)NNC(=O)NC1CCCCC1	833765964	ZPQMGTWKBYMAMB-UHFFFAOYSA-N	319.361	1.590	50	20	DDGD	
CO[C@@H]1CC(=NNC(=O)Cc2cn3ccccc3n2)C12CCC2	834963883	UEUCKFZTRGTAKC-CQSZACIVSA-N	312.373	1.938	50	20	DDGD	
Cc1ccccc1C[C@@H]1CCCN1C(=O)c1cccc(B(O)O)c1	584947352	MPAAXJSOMBMKOJ-SFHVURJKSA-N	323.201	1.522	50	20	DDGD	
C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ccc(B(O)O)c(F)c1	584990256	SWHVDTAQEPTFDE-WCQYABFASA-N	321.201	1.792	50	20	DDGD	
O=C1C[C@H]2C[C@@H]1[C@H](C(=O)NNc1ccc(Br)nc1)C2	839681482	QPCGVNIVXAECTC-FXBDTBDDSA-N	324.178	1.902	50	20	DDGD	
CCC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccsc1	834944583	UDOBIHKAWKEINY-JTQLQIEISA-N	315.420	1.349	50	20	DDGD	
CON(C)C(=O)CCC(C)=NNC(=O)c1cccc(C#N)c1	834957354	XTKBMAUCOVFISD-UHFFFAOYSA-N	302.334	1.464	50	20	DDGD	
CC(C)[C@@H](c1ccccc1)N(C)C(=O)c1cccc(B(O)O)c1	584944047	IOBOETUDVAUVHC-KRWDZBQOSA-N	311.190	1.836	50	20	DDGD	
CN(C)CCn1nccc1NC(=O)NNc1cccc(C#N)c1	836700814	UIUWJPWNBOYSOP-UHFFFAOYSA-N	313.365	1.465	50	20	DDGD	
O=C(CCc1ccco1)NNC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1	833103520	PNFJGLCNVJPHKS-GHMZBOCLSA-N	308.334	1.251	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)[C@H]1CC(=O)N(C2CCCC2)C1	837207851	UNPJOVZIXRBPSF-VIFPVBQESA-N	324.331	1.594	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNC(=O)c1cccc(N(C)C)c1	839456483	LUFHQUBLFCYWAW-CYBMUJFWSA-N	321.377	1.103	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NN=C2C[C@H](C)O[C@H](C)C2)c1	834964207	AUVASBSPZWUYHX-AOOOYVTPSA-N	304.350	1.713	50	20	DDGD	
CC(C)(C)N1C[C@@H](C(=O)NNc2ccc(C#N)cc2)CC1=O	748104948	SGUMTLWEQSLAAQ-LBPRGKRZSA-N	300.362	1.648	50	20	DDGD	
Cc1cc2c(cc1C)O[C@@H](C(=O)NNC(=O)CC(F)(F)F)C2	743317470	KTRXDLJZNKUWEL-LLVKDONJSA-N	316.279	1.707	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)COc1cc(Cl)ccc1Cl	910180587	WNEOAINSRWDEPP-QMMMGPOBSA-N	307.177	1.716	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=S)NC[C@@H]1CCOC1	749703502	CHDLHXRHTIMELM-AWEZNQCLSA-N	321.446	1.541	50	20	DDGD	
Cc1oc(-c2ccsc2)nc1CC(=O)NN(C)C[C@H](C)O	910165782	NCEJSHPQIOPBBH-VIFPVBQESA-N	309.391	1.598	50	20	DDGD	
CC(C)COCCC(=O)NNC(=O)COc1ccc(F)cc1	915287357	JSZLSQQPJBVSRR-UHFFFAOYSA-N	312.341	1.415	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)[C@H]2COc3ccccc3O2)cc1	916293396	NBNUJLHBZFZECB-MRXNPFEDSA-N	307.309	1.848	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCC2CCNCC2)c1	846213149	LUXGBSNDOYWSNK-UHFFFAOYSA-N	320.393	1.489	50	20	DDGD	
C[C@]1(C(=O)NCc2cnc(Cl)cn2)C[C@@H]1Br	910029907	HRRYUSXKNJNDJS-XVKPBYJWSA-N	304.575	1.920	50	20	DDGD	
CCOc1cccc(NC(=S)NNC(=O)[C@H]2CCO[C@@H]2C)c1	843278169	XUNBZOLXJYVAQQ-MFKMUULPSA-N	323.418	1.828	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)CC(F)(F)F)CC(F)(F)F	840433164	OJXDHSGBEQPQDH-RXMQYKEDSA-N	309.210	1.858	50	20	DDGD	
NC(=O)c1c[nH]c(C(=O)NNC(=O)c2ccc3ccccc3c2)c1	749351355	VLRVKHCOBRWXHU-UHFFFAOYSA-N	322.324	1.342	50	20	DDGD	
O=C(CCn1cc(Cl)cn1)NNC(=O)Cc1ccc(F)cc1	917497131	YCJVENGAIUIYPL-UHFFFAOYSA-N	324.743	1.456	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1c(F)ccc(F)c1F	843653436	CAJULGFHVSSKQV-RQJHMYQMSA-N	302.252	1.290	50	20	DDGD	
CCC[C@H](C)[C@@H]1CCCN1C(=O)NNC(=O)c1ncccn1	841592562	RVDMVCZUGJUUSW-RYUDHWBXSA-N	305.382	1.732	50	20	DDGD	
CO[C@H](C=NNC(=O)Nc1ccc(N(C)C)cc1)[C@H]1CCOC1	841625766	LPDDAGBBIHOQQQ-SWLSCSKDSA-N	320.393	1.911	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1cc(C)c(O)c(O)c1	841628151	OHUAFPWCTULBGQ-NSHDSACASA-N	310.350	1.298	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)CCCn2cccn2)c1	747625303	LVEARAGNMCFCEQ-UHFFFAOYSA-N	315.377	1.191	50	20	DDGD	
CO[C@H](CS(=O)(=O)NNC(=O)c1ccccc1C)C(C)C	842576329	VIOXSVXBJQAVDM-CYBMUJFWSA-N	314.407	1.230	50	20	DDGD	
O=C(O)c1ccc(O)c(C=NNC(=O)c2ccc(O)cc2)c1	740154962	JVEHPNUYNCSKKQ-UHFFFAOYSA-N	300.270	1.560	50	20	DDGD	
Cc1c(C(=O)NNc2ccnc(N(C)C)n2)cccc1[N+](=O)[O-]	740112493	LFJSGLHDDMCRFI-UHFFFAOYSA-N	316.321	1.516	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)c2ccc(Cl)nc2)o1	915973775	RRVAAGIBGOBFJJ-UHFFFAOYSA-N	307.693	1.879	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC[C@H](C)C(=O)O)c1ccccc1	848586148	SJZJLDMZEVGCDR-CMPLNLGQSA-N	307.350	1.231	50	20	DDGD	
CCN1CCC(=NNC(=O)CNC(=O)c2cccs2)[C@@H](C)C1	741460218	MYRLSSGOGPDXGZ-NSHDSACASA-N	322.434	1.312	50	20	DDGD	
CC(C[C@H]1CCCC(=O)N1)=NNC(=O)COc1ccc(C)cc1	841608964	ONJBKEINFVJUMV-CQSZACIVSA-N	317.389	1.925	50	20	DDGD	
CCCNC(=O)NNC(=O)CCOc1ccc(F)c(Cl)c1	921038345	UXUGPCOABUKXCB-UHFFFAOYSA-N	317.748	1.988	50	20	DDGD	
CC#CC[C@@H](CO)NC(=O)/C(C#N)=C\c1ccc(OCC)cc1	844119285	XDYPJRPFPAUHGQ-QZFKAFNDSA-N	312.369	1.883	50	20	DDGD	
C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(B(O)O)cc1	928379455	IWAGTYCBJWYNQG-KDOFPFPSSA-N	323.201	1.775	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H]2C[C@@H](C)O[C@@H]2C)c1	840433902	MVGNBQPCGTZLAK-WZRBSPASSA-N	321.377	1.913	50	20	DDGD	
COCCC(C)(C)CNC(=O)NNc1ncc(Cl)cn1	856884909	MNFGPQZOJPLWGC-UHFFFAOYSA-N	301.778	1.819	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C=NNC(=O)CC(F)(F)F	853293354	YDCSXXVAQHJRHG-GXSJLCMTSA-N	318.299	1.942	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2CCNC2=O)c(C(F)(F)F)c1	854337612	ZXDJLILWEXFXGL-MRVPVSSYSA-N	312.251	1.156	50	20	DDGD	
O=C(CS(=O)(=O)C1CCCC1)NNc1ccc(Cl)cn1	856095099	FBHDTJMPYZQARW-UHFFFAOYSA-N	317.798	1.536	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cccc(Cn2ccnc2)c1	921038128	FRQMLBOEGYSQGN-UHFFFAOYSA-N	301.350	1.285	50	20	DDGD	
Cn1cc(C(=O)C(=O)OC[C@@H](CBr)C2CC2)cn1	859529879	BWKLSQXUHRLHHD-SECBINFHSA-N	315.167	1.567	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)c1ncccc1O	753077404	MGUUIFVNUZCBNC-UHFFFAOYSA-N	322.415	1.200	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2ccccn2)cnn1CC(C)C	755375610	KKRGCHVXDXLVJY-UHFFFAOYSA-N	315.377	1.571	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCCN1CCOCC1(C)C	853665951	WEUPAADRLRITJZ-UHFFFAOYSA-N	324.400	1.871	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=Cc1ccc(F)c(F)c1	750946093	XTNPBBBXIFTZHD-UHFFFAOYSA-N	323.324	1.906	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@]2(C)COc3ccccc3O2)o1	859954189	GLRHKHBZDHIOFC-MRXNPFEDSA-N	316.313	1.579	50	20	DDGD	
C[C@]1(CN2C(=O)[C@@H]3CC(F)(F)CN3C2=O)C[C@@H]1Br	925005078	HKPHGSPSOIXSBV-MHYGZLNHSA-N	323.137	1.832	50	20	DDGD	
CCc1nocc1C(=O)NNC(=O)c1cc(OC)cc(OC)c1	854201735	RIBXROCHDNMBNN-UHFFFAOYSA-N	319.317	1.329	50	20	DDGD	
O=C(NNc1ccc(F)cn1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	754129167	RPCNYSZTSWRQLJ-UHTWSYAYSA-N	306.341	1.804	50	20	DDGD	
C=CCCSCCNC(=O)NNC(=O)c1ccccc1OC	852086426	RUQOZFJAJKZCGJ-UHFFFAOYSA-N	323.418	1.949	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)Cn2ccc3ccccc32)C[C@@H]1C	752010940	WGTDXVCVTSLCPS-STQMWFEESA-N	314.389	1.970	50	20	DDGD	
O=C(CN[C@@H](Cc1ccccc1)C1CC1)NNC(=O)C1CC1	754199777	DXGRZQPIIOPJDI-HNNXBMFYSA-N	301.390	1.155	50	20	DDGD	
C#CCCOc1ccc(C=NNC(=O)C(=O)NC(C)C)cc1	920372860	FNDIDIROAGTRHE-UHFFFAOYSA-N	301.346	1.063	50	20	DDGD	
CC(C)c1ncncc1C(=O)NNC(=S)NCC1CCC1	855092130	RHIMVMOHJPBWIM-UHFFFAOYSA-N	307.423	1.509	50	20	DDGD	
O=C(NC[C@@H]1CCN1Cc1ccccc1)NNc1cccnn1	852701624	DPAOABDNUZLERY-AWEZNQCLSA-N	312.377	1.377	50	20	DDGD	
C[C@@H]1[C@H](c2ccccc2)CCN1CC(=O)NNC(=O)C1CC1	751499999	MLZCDSPXWNLNJU-IUODEOHRSA-N	301.390	1.422	50	20	DDGD	
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NNc1cnnn1C	857273420	PFUMCSJYJQVLPC-LLVKDONJSA-N	318.337	1.435	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2F)C1	855627091	VHWZRKVEPDROTM-RKDXNWHRSA-N	324.312	1.469	50	20	DDGD	
CC(=O)NCCCNC(=O)NNc1cc(F)cc(Cl)c1	853384419	SPECFDIBWVFCEX-UHFFFAOYSA-N	302.737	1.631	50	20	DDGD	
Cc1nnc(NNC(=O)c2ccc(Cl)c(C#N)c2)nc1O	757737327	XJGDAMWLLWJZGL-UHFFFAOYSA-N	304.697	1.168	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)C23CCC(CC2)C3)C[C@H](C)O1	753387049	INZQBSBRNXVXDE-YRFCHQJDSA-N	323.437	1.213	50	20	DDGD	
COc1cccc(NNC(=O)c2nc[nH]c2C(F)(F)F)n1	857482719	IQQMZTGZXPKVCZ-UHFFFAOYSA-N	301.228	1.589	50	20	DDGD	
CC(C)Oc1ncccc1NC(=O)NNC(=O)CC(F)(F)F	755947275	FBFNLKULMOVQKI-UHFFFAOYSA-N	320.271	1.974	50	20	DDGD	
CC(C)(C)C(=O)Nc1nccnc1C(=O)NCCCSC#N	854362074	ZOAGDCBPGMTDDL-UHFFFAOYSA-N	321.406	1.795	50	20	DDGD	
O=C(C[C@H]1C=CS(=O)(=O)C1)NN=c1cc[nH]c2ccccc12	754419073	DVBZFMNXIIQMEU-LLVKDONJSA-N	317.370	1.048	50	20	DDGD	
CC(C)(C)c1nsc(NC(=O)NNC(=O)c2cnccn2)n1	756357379	NKFYOHFZUROCJD-UHFFFAOYSA-N	321.366	1.092	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H](O)CCc1ccccc1	764618262	ODXVSXSTKNJOPC-INIZCTEOSA-N	312.369	1.750	50	20	DDGD	
COc1ccc(C=NNC(=O)Cc2cc(C)[nH]n2)c(OC)c1	767396847	WECNHGSOIMNZNE-UHFFFAOYSA-N	302.334	1.428	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@H]1CCN1C(C)(C)C	862992840	JFWUJLFHIMBNBM-CQSZACIVSA-N	303.406	1.558	50	20	DDGD	
CCCC(=O)N1CCC[C@H](C(=O)NN[C@@H](C)C(F)(F)F)C1	862310460	XWFKWFPCEZTXSG-UWVGGRQHSA-N	309.332	1.597	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@@H]1CCc2c[nH]nc2C1	863096479	JOJMDEZYIHCNPL-ZCFIWIBFSA-N	312.242	1.333	50	20	DDGD	
CC1(C)CCCC(=NNC(=O)CNC(=O)c2cccnc2)C1	767793462	XYWMIFTXQJKTNK-UHFFFAOYSA-N	302.378	1.884	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)N1	862457624	MOZLAIRRQFTCAG-WUHRBBMRSA-N	307.394	1.019	50	20	DDGD	
COc1c(C)ccc(NC(=O)C(=O)NNc2cnccn2)c1C	766260147	JVDUPDOYTTWKAE-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
CCc1n[nH]c(C(=O)NNC(=O)c2cc(C)cs2)c1[N+](=O)[O-]	862478389	XETYQOAOXNVXNC-UHFFFAOYSA-N	323.334	1.325	50	20	DDGD	
C=CCNc1ncc(C(=O)NNC(=O)c2ccccc2F)s1	761701712	AGDYYENIFBSJDF-UHFFFAOYSA-N	320.349	1.955	50	20	DDGD	
O=C(NNC(=O)C1(F)CCOCC1)c1cccc2cccnc12	865060283	YQWIYMFNNMPUPY-UHFFFAOYSA-N	317.320	1.515	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)C(=O)Nc1cnns1	760314047	OAWYSTLKNAKTFZ-UHFFFAOYSA-N	317.252	1.037	50	20	DDGD	
Cc1ccc(OCCCC(=O)NNC(=O)c2cn[nH]c2)c(C)c1	862472673	QLVKECZCUNQTLU-UHFFFAOYSA-N	316.361	1.647	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1	866776222	DUZRNSORMHDPSG-GFCCVEGCSA-N	319.858	1.253	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@H](C)CCC2CC2)n1	769556886	LYVUMLWKFRYCCJ-SNVBAGLBSA-N	307.398	1.409	50	20	DDGD	
CC[C@]1(C(=O)NNc2cc(F)c(F)cc2F)CCNC1=O	866879225	QGKVFYSJDOWEPC-ZDUSSCGKSA-N	301.268	1.463	50	20	DDGD	
N[C@H]1CCC[C@H](NC(=O)NNC(=O)c2ccccc2Cl)C1	1119379885	MZOWGGZACUVWDG-UWVGGRQHSA-N	310.785	1.554	50	20	DDGD	
CCCOc1cccnc1C(=O)NNC(=O)c1ccccn1	760035544	AQWXEUCXXMLCGH-UHFFFAOYSA-N	300.318	1.340	50	20	DDGD	
CN(N=C1C(=O)Nc2c(Br)cc(F)cc21)C(N)=O	767908063	OUXWIBDPKJILPL-UHFFFAOYSA-N	315.102	1.255	50	20	DDGD	
COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N1CC=C(C#N)CC1	772942225	BXXJONMSLFCYMT-CHWSQXEVSA-N	312.391	1.204	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](CC(C)C)N1CCCCC1=O	770543473	PSENHQUAKLPIKK-LBPRGKRZSA-N	312.414	1.106	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1cc[nH]c1	772964973	AFEBOXPBTVWFOB-VIFPVBQESA-N	307.737	1.897	50	20	DDGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)[C@@H](O)C2CC2)cc1	874950995	NCUMZAZNCYXNRY-ZDUSSCGKSA-N	323.418	1.562	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cccc([C@@H]2CCC(=O)N2)c1	879891792	WLGVYHMCEHIDNP-NSHDSACASA-N	306.322	1.372	50	20	DDGD	
CCOc1cccc(NC(=O)NNc2nccc(OC)n2)n1	775786102	UJJRGNPEIXHQCI-UHFFFAOYSA-N	304.310	1.428	50	20	DDGD	
COc1c(C)ccc(NC(=O)C(=O)NNc2ncccn2)c1C	773720593	DFDHHMPBZXUREN-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
C[C@@]1(CNC(=O)N2CCC[C@@H](C(=O)O)C2)C[C@H]1Br	874407951	JDWYDPJRMDEQQS-LNLATYFQSA-N	319.199	1.666	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CCO)cc1OC(F)F	1116635679	HKFUMHFIBNZEDY-UHFFFAOYSA-N	303.265	1.132	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@H]2COC(C)(C)O2)c1	875481224	WFIQUKSTKQVBRT-VIFPVBQESA-N	313.379	1.152	50	20	DDGD	
CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NNc2ccc(F)cc2)O1	775459647	FHWVIQSIYRRASH-OLZOCXBDSA-N	324.356	1.088	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@H]1COCCO1	873855272	RAHITAYCYNQCFM-GFCCVEGCSA-N	323.418	1.290	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)C(=O)NN=C1CCC[C@H]1F	872361509	FCPZLRXMPGVCEM-LLVKDONJSA-N	311.744	1.950	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)c1cnn(C)c1C	778539466	CFPNVGJNAFQBEP-UHFFFAOYSA-N	319.390	1.060	50	20	DDGD	
O=C(NNC(=O)c1ccc2cc[nH]c2n1)NC1CCCCC1	779491241	LHOTUFWUSNBPKA-UHFFFAOYSA-N	301.350	1.840	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccnc(C)n2)c(O)c1	776497874	UDRGJLMSXPXZJJ-UHFFFAOYSA-N	301.306	1.266	50	20	DDGD	
CC(C)Cc1cc(C(=O)NNc2ncc(F)cn2)cc(O)n1	777427547	SGFKWXHZRWNDBI-UHFFFAOYSA-N	305.313	1.672	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C	875305664	VIUZRNDCUAATSN-QWRGUYRKSA-N	301.387	1.740	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(Cl)ccc1C	772216182	MWXZUIBERALHGU-SECBINFHSA-N	312.753	1.751	50	20	DDGD	
CSCCNC(=S)NNC(=O)CO[C@H]1CCCC[C@@H]1C	770246451	SDNZQPWXMNECTC-QWRGUYRKSA-N	319.496	1.440	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccncc1Br	887145948	YFWLHARHOOHTLC-UHFFFAOYSA-N	310.151	1.409	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)n1cc(-c2ccccc2)nn1	881291401	PFEUEFMBTLNKSM-LBPRGKRZSA-N	315.377	1.700	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)C)nn1-c1cccc(C#N)c1	779868554	WWEMNQGPFMQREQ-UHFFFAOYSA-N	311.345	1.469	50	20	DDGD	
O=S(=O)(CCCCl)NCCc1cn2ccccc2n1	881773964	KPYLLWDVWREWCM-UHFFFAOYSA-N	301.799	1.425	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)[C@@H]1CCCN(C(N)=O)C1	885124362	SYJOMMIXQFKLBF-SNVBAGLBSA-N	310.785	1.882	50	20	DDGD	
COc1cc(OC)c(NC(=O)NNc2cnccn2)cc1F	770060556	KROAZOVKJMSYHR-UHFFFAOYSA-N	307.285	1.782	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2c(F)cc(F)cc2F)CC1=O	885150572	BFZBQECSSKNQMQ-ZETCQYMHSA-N	301.268	1.415	50	20	DDGD	
C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNc1ccc(F)c(Cl)c1	1123840960	RXVMSPIOURXIKR-NOZJJQNGSA-N	312.776	1.311	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1cnc2c(c1)COCC2	784769629	HYKIJNITTVVNFR-UHFFFAOYSA-N	312.329	1.236	50	20	DDGD	
COc1cccc(NNC(=O)Nc2cc(C(N)=O)ccc2F)n1	780508791	ONUKCKMXDILEKK-UHFFFAOYSA-N	319.296	1.477	50	20	DDGD	
N#Cc1ccc(CNC(=O)NNc2cccc([N+](=O)[O-])c2)nc1	780639976	QDTHYBOSFKDBHF-UHFFFAOYSA-N	312.289	1.688	50	20	DDGD	
CCOC1CC(CC(=O)NNC(=O)COc2ccccc2O)C1	788844701	GCIQWNOTJPNNOV-UHFFFAOYSA-N	322.361	1.124	50	20	DDGD	
COCCN(CCC(=O)O)S(=O)(=O)CC(C)(C)CCl	899578238	GXBQGEKKUIXGFQ-UHFFFAOYSA-N	315.819	1.004	50	20	DDGD	
CC(=O)c1cccc(OCC(=O)NNc2ncncc2Cl)c1	781825076	ZCLZWNUKHGLVMI-UHFFFAOYSA-N	320.736	1.855	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21	892752259	DJCVKVYMVCRAFH-JCGIZDLHSA-N	322.364	1.755	50	20	DDGD	
O=C(NNC(=O)c1ccnc(NC2CCC2)c1)c1ccncc1	899905018	PKLJKJZLONIZIR-UHFFFAOYSA-N	311.345	1.516	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1ccc(N2CCCC2)cc1O	785465109	BCPISUFCXBBVJC-UHFFFAOYSA-N	305.378	1.604	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H]2CO[C@@H](C)C2)c1	784146715	VHDIQDWZAOOGSA-QWHCGFSZSA-N	306.362	1.255	50	20	DDGD	
CC(C)Oc1ccccc1C=NNC(=O)N1CCN(C)CC1	790181029	GTOGXZPYZKLCKT-UHFFFAOYSA-N	304.394	1.765	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCc2cn(C)cn2)cc1	898633768	OYXPBGGQFJOBDA-UHFFFAOYSA-N	301.350	1.127	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCC[C@@H](c2ncccc2C)C1	799113130	JLKNLRWCXJFNMK-GFCCVEGCSA-N	318.377	1.876	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1CCCc2cccnc21	799106376	DXZOEYREOFWOFL-UHFFFAOYSA-N	301.375	1.899	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccc(Br)n1	798305165	UUTIINDYBTWEFN-UHFFFAOYSA-N	315.196	1.139	50	20	DDGD	
COc1cccc(F)c1C(=O)NNC(=O)c1cccc(C)n1	794076437	IVBPJKGJVZDHGD-UHFFFAOYSA-N	303.293	1.613	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H](O)c1cccnc1	798311321	OSRTWBSCUJEAGP-ZDUSSCGKSA-N	300.318	1.276	50	20	DDGD	
N#C/C(=C\c1cnn(Cc2ccc(F)cc2)c1)S(N)(=O)=O	799893814	LCMAZGMMZDWIMR-WLRTZDKTSA-N	306.322	1.223	50	20	DDGD	
CSSCCNC(=O)NCC1(C(=O)N(C)C)CCCC1	790735086	REOCEDOMRNHAQR-UHFFFAOYSA-N	319.496	1.945	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2ccc([N+](=O)[O-])cc2)n1	794752308	SGZJUWFLXQHOHI-UHFFFAOYSA-N	315.289	1.765	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)Cc2ccncc2)[C@@H](n2cncn2)C1	794515223	YZPVYQVWZMCCOM-WFASDCNBSA-N	312.377	1.749	50	20	DDGD	
CSc1cccc(F)c1C(=O)NNC(=O)c1cc(C)[nH]n1	798986348	NMOYHUYPRAORFU-UHFFFAOYSA-N	308.338	1.654	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCc2ccn(C)n2)cc1	794166874	BFMKMLWCIMSOOP-UHFFFAOYSA-N	300.362	1.376	50	20	DDGD	
O=C(CCN1CCCC1=O)NNc1cccc(F)c1[N+](=O)[O-]	790586148	QIPQWRRYDGNJMF-UHFFFAOYSA-N	310.285	1.190	50	20	DDGD	
CC[C@@H](CO)C(=O)NNC(=O)c1cc(C)nc2ccccc12	799009752	KGYGIETYMFULKH-NSHDSACASA-N	301.346	1.323	50	20	DDGD	
O=C(C[C@@H]1CCCOC1)NNC(=O)Cn1cnc2ccccc21	792805743	AILLDZXTSMYJOS-LBPRGKRZSA-N	316.361	1.000	50	20	DDGD	
C[C@@H](COc1ccccc1F)NC(=O)NNC(=O)C1CCC1	1318412700	ZXXUBOQDOJOYTG-JTQLQIEISA-N	309.341	1.724	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1nccc(Cl)c1F	1326379703	BAFVUEKATHOEAQ-RNFRBKRXSA-N	301.705	1.060	50	20	DDGD	
CS[C@@H]1CC[C@H](N(C)CC(=O)NNC(=O)C(C)(C)C)C1	1324185094	CYUDEQMOXOZCAB-WDEREUQCSA-N	301.456	1.396	50	20	DDGD	
Cc1cn(CC(=O)NNC(=O)[C@@H]2CCCCO2)c2ccccc12	1328467240	BJCJXAYUVRERCR-HNNXBMFYSA-N	315.373	1.666	50	20	DDGD	
CC(C)(C)NCC(=O)NNc1cccc(Br)n1	1324697958	PIPDTFLNFKNUBR-UHFFFAOYSA-N	301.188	1.675	50	20	DDGD	
C[C@@H]1CCc2nc(C=NNC(=O)CN3CCCC3=O)sc2C1	1324924852	FVPQFYHQCLCJEO-SNVBAGLBSA-N	320.418	1.340	50	20	DDGD	
Cc1cnc(CC(=O)NNc2ccc(-n3ccnc3)nn2)s1	1322556034	UIEXIITWHKCRBI-UHFFFAOYSA-N	315.362	1.113	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc(-n2cccn2)c(F)c1	1324389641	WPFKQDNPLXKDSP-UHFFFAOYSA-N	302.309	1.573	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2CCCC[C@H]2N(C)C)nc1	1255372445	SUPYNCQDCPJVRV-CHWSQXEVSA-N	307.398	1.589	50	20	DDGD	
Cc1nn(CCO)c(C)c1CNC[C@@]1(C)C[C@H]1Br	1331336317	AXQHRLFXEJDRFV-CHWSQXEVSA-N	316.243	1.755	50	20	DDGD	
O=[N+]([O-])c1ccc2c(c1)CN(S(=O)(=O)CCCCl)CC2	1331256845	IALIHPIORUOROF-UHFFFAOYSA-N	318.782	1.912	50	20	DDGD	
O=C(NCC1=CCNCC1)NNC(=O)c1ccccc1Cl	1331466079	GXYHOHATAYNYPK-UHFFFAOYSA-N	308.769	1.204	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2ccc(OC)cc2)n(C)n1	1348914612	USFXKHZBNFDABY-UHFFFAOYSA-N	302.334	1.066	50	20	DDGD	
CC(=O)NC1CCC(C(=O)NNc2cccc(C#N)c2)CC1	1347282617	WLEZOFIPGLJNAM-UHFFFAOYSA-N	300.362	1.696	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2c(C3CC3)cnn2C)CC1	1261651444	LVIPGYSEDASGJL-UHFFFAOYSA-N	317.437	1.870	50	20	DDGD	
O=C(C1CCC(Cl)CC1)N1CCN(Cc2cn[nH]c2)CC1	1263842701	CHQQBFCYYMXEHU-UHFFFAOYSA-N	310.829	1.852	50	20	DDGD	
Cc1c(C(=O)NNc2ccc(F)cn2)cnn1C1CCOCC1	1349738462	TUWPJFNKGPDBSI-UHFFFAOYSA-N	319.340	1.834	50	20	DDGD	
CCc1ncoc1C(=O)NNC(=O)NCCc1cccs1	1353550313	WKHZHLFYOOWCTN-UHFFFAOYSA-N	308.363	1.485	50	20	DDGD	
O=C(O)C[C@H]1COCCN1C[C@H](CBr)C1CC1	1601963726	PNNNDYNAKPPWHE-QWRGUYRKSA-N	306.200	1.583	50	20	DDGD	
O=C(CCCC[C@H]1CCSS1)NCC[C@H](O)C(=O)O	1601266806	RUKXOTUFNXDHEY-UWVGGRQHSA-N	307.437	1.652	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc(C(=O)O)cn2)c(C(C)(C)C)n1	1600932832	SUQHJUSOKAPNIJ-UHFFFAOYSA-N	317.349	1.568	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H](C)c2ccnn2C)cc1C(=O)O	1600461955	DHRRYSYZWYCHNI-SNVBAGLBSA-N	302.334	1.674	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2cn3c(n2)CCC3)cc1	1602128792	XFMOUGFPHUEJKA-UHFFFAOYSA-N	300.318	1.213	50	20	DDGD	
Cn1cc(C=O)cc1C(=O)NNc1ccc(CC(=O)O)cc1	1600943873	BJOKFPASHPSCER-UHFFFAOYSA-N	301.302	1.222	50	20	DDGD	
C[C@]1(C(=O)Nc2ccn(CC(=O)O)n2)C[C@H]1Br	1604490126	NUEJFNPWKITCGD-LDWIPMOCSA-N	302.128	1.080	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)O)nc1	1605815296	BVHPXMNWLUSZLD-UHFFFAOYSA-N	302.246	1.445	50	20	DDGD	
O=C(O)[C@H](C(=O)NNc1cccc2c1OC(F)(F)O2)C1CC1	1605898184	OOBZOOAHPKDNIU-VIFPVBQESA-N	314.244	1.562	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C(=O)O)c1cc2ccccc2s1	1604292598	XFUUULYAIVUCDS-ZETCQYMHSA-N	307.331	1.377	50	20	DDGD	
CCCN1CCC[C@@H]1C(=O)NNc1ccc(C(=O)O)cc1F	1609978512	KYYPISFIZNDSEK-CYBMUJFWSA-N	309.341	1.841	50	20	DDGD	
CCc1ocnc1C(=O)NNc1ccc(C(=O)O)cc1OC	1610082051	PTLJUPNAFQKKNY-UHFFFAOYSA-N	305.290	1.701	50	20	DDGD	
Nc1cc(C(=O)NNc2cccc(F)c2C(=O)O)cc(Cl)n1	1610649753	TWFMPLMZYCKFQE-UHFFFAOYSA-N	324.699	1.911	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C=NNC(=O)c1ccncc1	1552447185	DSQCOFLEUIIEGP-ZIAGYGMSSA-N	313.361	1.699	50	20	DDGD	
CCOCc1nc(C)cc(NNC(=O)CCC23CC(CN2)C3)n1	1578126885	GIQLQRLEBAZJLH-UHFFFAOYSA-N	319.409	1.297	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@@H]2NCC2(C)C)c1	1578420806	WFKCDJGAUSVVOT-LBPRGKRZSA-N	305.382	1.221	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)[C@@H]1NCC12CCCC2	1580743068	OUNNCPNTIZEYFQ-LBPRGKRZSA-N	313.361	1.311	50	20	DDGD	
C#CC[C@H](COC)NC(=O)NNc1ccc(F)c(C(=O)O)c1	1588394212	JGMTUKOKGQXGDM-SNVBAGLBSA-N	309.297	1.188	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccn1)[C@H]1C[C@H]2CC[C@H]1NC2	1580737536	SCDPBDRFEFPEGJ-DVVUODLYSA-N	314.311	1.932	50	20	DDGD	
COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)C1CCC1)C2	1846361245	GZDBBEOFEIYUMU-LBPRGKRZSA-N	314.813	1.244	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNc1ccc(C(=O)O)cc1F	1594126133	PPSYHAWXJPPFDB-DTWKUNHWSA-N	308.309	1.972	50	20	DDGD	
C[C@@H]1[C@@H](Cl)[C@H]1CN1CC(Oc2ccc(-c3nn[nH]n3)cc2)C1	1590169137	ORLBOOSWIUPNCN-QCZZGDTMSA-N	319.796	1.803	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl)c1ccon1	1796804504	WHDUVBPURZWQKZ-DKIAZLNASA-N	315.732	1.461	50	20	DDGD	
CCN(CC)S(=O)(=O)c1ccc(O)c(NC=C(C#N)C#N)c1	15240709	YVHQLBVFJFYKOS-UHFFFAOYSA-N	320.374	1.766	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc(N2CCCC2=O)cc1	17820106	WSCUJCCEAKTQHP-UHFFFAOYSA-N	303.362	1.621	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C[C@H]2CCCCO2)cc1	150927291	TZNSERWAEKAHDT-CQSZACIVSA-N	306.362	1.480	50	20	DDGD	
CCn1nccc1/C=C/C(=O)NNC(=O)c1cc(C)oc1C	163281013	VNLCMOCYAVYLBC-AATRIKPKSA-N	302.334	1.587	50	20	DDGD	
Cc1cc(C(=O)NNc2ncccc2[N+](=O)[O-])ccc1[N+](=O)[O-]	153233587	ILGCEGGYPGQMHA-UHFFFAOYSA-N	317.261	1.963	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CN(CC)C2CC2)n1	155705447	NYDFJODOPJDUIQ-UHFFFAOYSA-N	306.414	1.250	50	20	DDGD	
CCCC(=O)N1CCCC[C@H]1C(=O)NNc1ccc(OC)cn1	159154543	WUSCYCZWLYPYNW-ZDUSSCGKSA-N	320.393	1.715	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H]2CCCOC2)c(C)c1	102891576	VHXCSWLLWGCMJK-ZDUSSCGKSA-N	305.378	1.289	50	20	DDGD	
Cc1c(C(=O)NNC(=O)Cc2cccnc2)cccc1[N+](=O)[O-]	103424776	XIHWPRITNKSJGD-UHFFFAOYSA-N	314.301	1.302	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1ccccc1)NC(=O)C1CCCC1	171348421	MESUFDSEJJWSPW-GFCCVEGCSA-N	317.389	1.533	50	20	DDGD	
Cn1c(NNC(=O)Cc2ccsc2)nc2ccccc2c1=O	176456506	AEBBCMITWRCFAQ-UHFFFAOYSA-N	314.370	1.681	50	20	DDGD	
CCC(=O)N1CCC[C@H](C(=O)NNc2nccnc2Cl)C1	114894883	VTWQACYBKYBCCK-VIFPVBQESA-N	311.773	1.222	50	20	DDGD	
Cc1ccc(NNC(=O)NCCc2nc(C(C)C)no2)nn1	69123914	XGZWBOHZUKIUDE-UHFFFAOYSA-N	305.342	1.160	50	20	DDGD	
CC(C)(NS(C)(=O)=O)C(=O)NNc1cccc(Cl)c1	173032917	XVGQXPQCJOJCCM-UHFFFAOYSA-N	305.787	1.111	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2cccn2C)cc1	60793528	RDWWNXLFKDWGQQ-UHFFFAOYSA-N	303.387	1.887	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2c(F)cccc2F)cc1	61464332	WCYCIKMZPDUCBV-UHFFFAOYSA-N	301.252	1.911	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(=O)[nH]n2)ccc1Br	114889138	KXCGCJAQSDFATM-UHFFFAOYSA-N	323.150	1.598	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCC[C@@H]2C[C@@H]3CC[C@@H]2C3)cn1	172226222	KCISRKALTDCNQZ-IJLUTSLNSA-N	305.382	1.190	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1[nH]c(C)c(C(=O)OC)c1C	64884562	HQPWVRUXFKGINY-UHFFFAOYSA-N	310.354	1.162	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CS[C@@H](C)[C@H](C)O	121209853	RFJBOIPOBBQHJX-RYUDHWBXSA-N	310.419	1.187	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccccc1-n1nccc1C	184582060	HWAVVRWXNSAPLT-UHFFFAOYSA-N	303.322	1.963	50	20	DDGD	
Cc1cc(C(=O)NNc2nc(-c3ccccc3)no2)cc(O)n1	180367264	WIBKLYFSXQAZOD-UHFFFAOYSA-N	311.301	1.903	50	20	DDGD	
CCCCCNC(=O)/C(C#N)=C\c1cn(Cc2cccnc2)nn1	181421962	OAIAEERCKYTKGG-DHDCSXOGSA-N	324.388	1.935	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N[C@H](COC)C1CC1)c1ccccc1	126811449	RZUZNCYWLNTKTC-HUUCEWRRSA-N	319.405	1.936	50	20	DDGD	
CCCCCCCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	127812989	DGRVTXNNAKPMGD-ZDUSSCGKSA-N	304.456	1.839	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNc2ncccn2)cc1OC	181759110	CZEKLRKKCDETJM-NSHDSACASA-N	316.361	1.816	50	20	DDGD	
CN(CC(=O)NNc1ccnc(F)c1)C(=O)c1cccs1	182416468	KJQQLLXVLCFSLJ-UHFFFAOYSA-N	308.338	1.498	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)CC(C)C	186068573	WOPMIKRSASIJSD-UHFFFAOYSA-N	300.380	1.588	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C\c1cncc(Br)c1	184748866	KUTFOAURBSUIPF-GRXJFFANSA-N	324.178	1.902	50	20	DDGD	
COCc1cccc(CC(=O)NNc2cccc(OC)n2)c1	187678340	CSVGBZMBFSDBSH-UHFFFAOYSA-N	301.346	1.922	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@H](C)C[S@](C)=O	183580444	MQZIHKYVAXNPOE-UZJPJQLHSA-N	312.395	1.098	50	20	DDGD	
COc1ccc(OC)c(CCC(=O)NNc2cccnn2)c1	77030967	UUTVUMSXPXSFKU-UHFFFAOYSA-N	302.334	1.570	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)Cn1cc([N+](=O)[O-])nc1C	184377973	OETFWTNQJSYQQZ-UHFFFAOYSA-N	307.285	1.691	50	20	DDGD	
Cc1ccnc2nc(C(=O)NNc3ccc4ccccc4n3)nn12	181116501	SQTXWTUJEJUKMS-UHFFFAOYSA-N	319.328	1.738	50	20	DDGD	
CC(C)CC[C@@H](C)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	42999573	TYTKPGDPWAQPQM-YPMHNXCESA-N	305.444	1.192	50	20	DDGD	
COCC[C@@H](C)NC(=O)NNC(=O)c1ccc(Cl)cc1F	83205443	UXNGOLBUGJHGBD-MRVPVSSYSA-N	317.748	1.848	50	20	DDGD	
COc1ccccc1C(=O)NNS(=O)(=O)CCCCCl	190770039	SFIBOEZSYONPCP-UHFFFAOYSA-N	320.798	1.278	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCc1ccc(Cl)cc1)N(C)C	191602695	BKEYTPXCPQGZBL-GFCCVEGCSA-N	312.801	1.511	50	20	DDGD	
CN1CCN(c2ccc(/C=C(\C#N)C(=O)NC3CC3)cc2)CC1	82149309	NAHLLUITQRPBRC-NTCAYCPXSA-N	310.401	1.624	50	20	DDGD	
CCOc1ccccc1NC(=O)C(=O)NNc1cc(C)ccn1	190042723	PVVZJQFGHXKYGU-UHFFFAOYSA-N	314.345	1.871	50	20	DDGD	
Cn1cnc(CNC(=O)NNc2ccc(OC(F)F)cc2)n1	92377186	UUDYMZAXHIJSBD-UHFFFAOYSA-N	312.280	1.243	50	20	DDGD	
Cc1cc(NNC(=O)C(C)(C)NC(=O)OC(C)(C)C)nc(C)n1	265574497	WHZSMIFYEAYOOH-UHFFFAOYSA-N	323.397	1.840	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccccc1F)N1CCSCC1	269644687	AAJLLBQWEPRZKF-JTQLQIEISA-N	311.382	1.024	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1nc(-c2cccnc2)no1	263978664	YQZSIXXXDREPRJ-JTQLQIEISA-N	321.337	1.016	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)CNc1cccc(OC)c1	269598403	LRRSOIWCDUPAIC-GFCCVEGCSA-N	311.407	1.396	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CCCN2C2CCCC2)nc(C)n1	269619485	CSEVPCJLZXFYFD-CQSZACIVSA-N	303.410	1.944	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)CCC[C@]2(C)NC(=O)NC2=O)c1	269579571	IWKIYXAVEWSKOL-INIZCTEOSA-N	318.377	1.515	50	20	DDGD	
CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NS(=O)(=O)CBr	363712320	LEPXUGPAVPPGAX-HLTSFMKQSA-N	312.229	1.462	50	20	DDGD	
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NNc1ccc(OC)cn1	276036133	WWAVJQJPMXXDQP-NXEZZACHSA-N	309.370	1.020	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cn(C)nc1-c1ccccc1	272674754	LTJCCVIIIZJOOE-UHFFFAOYSA-N	301.350	1.393	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(N2CCOC2=O)cc1	274397555	JPRGABMAGOWVGL-UHFFFAOYSA-N	321.337	1.341	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccnc1N1CCOCC1	273512530	UJBULMKROPGRNY-NSHDSACASA-N	321.381	1.117	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2c(C)nn(C)c2OC)c1	273037373	UQNQTHLTMJUQIK-UHFFFAOYSA-N	318.333	1.281	50	20	DDGD	
CC(C)(C)c1nnc2ccc(C(=O)NNC(=O)C3CC3)cn12	274393637	CQJXVHVORLDQCH-UHFFFAOYSA-N	301.350	1.198	50	20	DDGD	
COCCOC1CCC(C(=O)NNC(=O)c2ccccc2)CC1	279676975	PLLZHIUSJNCNAT-UHFFFAOYSA-N	320.389	1.669	50	20	DDGD	
C[C@@H]1C[C@@H](CCNC(=O)NNc2cncc(Cl)n2)CCO1	273542208	TXVRZPYOIFFNNA-ZJUUUORDSA-N	313.789	1.961	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCc2csc(C)n2)n1	279565806	FOYKAPCHLPHNNT-UHFFFAOYSA-N	319.390	1.342	50	20	DDGD	
O=C(CCOCC(F)(F)C(F)(F)F)NNc1cccnn1	276868962	QYBVSCYFIKLBTD-UHFFFAOYSA-N	314.214	1.524	50	20	DDGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NNc1cccc([N+](=O)[O-])c1	285920677	ZXEVLGGARJKBCK-ZANVPECISA-N	308.338	1.589	50	20	DDGD	
Cc1oc(C(C)C)nc1C(=O)NNc1nc2ccccn2n1	286519159	PACKWVGMOZCMAM-UHFFFAOYSA-N	300.322	1.906	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	378031329	UWUYOMRXFXJVRR-WCFLWFBJSA-N	323.418	1.436	50	20	DDGD	
CC(=O)NNC(=O)Cc1sc(SC(F)(F)F)nc1C	281194620	PDAXJBPJWYAMGK-UHFFFAOYSA-N	313.326	1.773	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1CCO[C@@H]1c1ccnn1C(C)C	288281081	ANXJXWWCGRYSDN-JSGCOSHPSA-N	310.398	1.151	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Nc1ccc(F)nc1	285848537	GSVMBOXNCBMZTO-UHFFFAOYSA-N	314.317	1.163	50	20	DDGD	
CCOC(=O)NNC(=O)C[C@H]1CN(Cc2ccccc2)CCO1	377777252	DPLGJJKAESKPTK-AWEZNQCLSA-N	321.377	1.055	50	20	DDGD	
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NNC(=O)c1ccccc1F	280832343	WZAASKWBXZNXLF-BXUZGUMPSA-N	321.352	1.751	50	20	DDGD	
CO[C@H]1CCC[C@@H](CC(=O)NNC(=O)NCc2ccco2)C1	280547142	JULASXPDSWLWGT-NEPJUHHUSA-N	309.366	1.705	50	20	DDGD	
CSSCCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-]	286447704	MVKBBMVEMNHBND-UHFFFAOYSA-N	323.421	1.665	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)CCCc2ccccc2)CC1	281855640	ZNBRDVPLCPTWNH-UHFFFAOYSA-N	304.390	1.973	50	20	DDGD	
O=C(NCc1cnn2ccccc12)NNc1ccc(Cl)nn1	805780403	LFMLCPRMJOUZOY-UHFFFAOYSA-N	317.740	1.604	50	20	DDGD	
Cc1c(C(=O)NNc2nnc(C3CC3)s2)nnn1C(C)C	293608274	WIQXGGHAMBVNMB-UHFFFAOYSA-N	307.383	1.653	50	20	DDGD	
Cn1nnc2c(C(=O)NNc3ccc(Cl)c(F)c3)ccnc21	801177351	PUZHJGCUAFRELZ-UHFFFAOYSA-N	320.715	1.913	50	20	DDGD	
O=C(CCCn1ccnc1)NNc1nccnc1C1CCC1	805466169	XYLSIGNGYRGFNQ-UHFFFAOYSA-N	300.366	1.864	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H](C(C)C)N1CCCC1=O	299550216	QILYBXHKLSEWGU-HNNXBMFYSA-N	317.389	1.403	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCCN(C)c1ccccc1	298673157	VZFHGLOJKNJSPP-UHFFFAOYSA-N	306.410	1.889	50	20	DDGD	
Cn1cnc(/C=C(\C#N)C(=O)NCc2ccc(F)c(F)c2)c1	800794790	QDUNVQVZXQYJGX-VZUCSPMQSA-N	302.284	1.922	50	20	DDGD	
CCOC(=O)CC(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	296944565	OLDNTNLIDLJUHI-UHFFFAOYSA-N	301.686	1.645	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)CCCCCC#N)c1	806364604	BZPPYBOUIODOLH-UHFFFAOYSA-N	318.377	1.729	50	20	DDGD	
O=C(NNC(=O)c1ccc(OC(F)F)c(F)c1)NC1CC1	293954526	CBPQOZDRSNKRGH-UHFFFAOYSA-N	303.240	1.534	50	20	DDGD	
CO[C@H]1CCC[C@@H](CC(=O)NNC(=O)N=c2cc[nH]cc2)C1	802035433	CTODHSCPMYYRLX-YPMHNXCESA-N	306.366	1.252	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccc1	296495721	BPCLIFAOWKOVIP-JSGCOSHPSA-N	305.378	1.690	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCN1CCc2ccccc2C1	298647258	GWAMFYTXUXPBRO-UHFFFAOYSA-N	318.421	1.421	50	20	DDGD	
CCOc1cccc(CNC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	297542472	MSBKVAMXVZHBPE-FZMZJTMJSA-N	321.377	1.483	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N2CC[C@@H](O)C23CCCC3)s1	292962185	GORQUVZXQMEOIG-GFCCVEGCSA-N	323.418	1.790	50	20	DDGD	
O=C(NCc1ccccc1[N+](=O)[O-])NNc1ncccc1F	804922505	UJFONSVQARJSSC-UHFFFAOYSA-N	305.269	1.955	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=CC[C@H]1CCCCC12OCCO2	814955607	OETVVDDWUYRUKB-GFCCVEGCSA-N	306.366	1.378	50	20	DDGD	
COC(=O)[C@@H]1C[C@H]2CC(=NNC(=O)CNc3ccccc3)[C@H]1C2	817322215	NLDLRLYDHVHTCE-FPMFFAJLSA-N	315.373	1.790	50	20	DDGD	
Cc1n[nH]c(C)c1C=NNC(=O)Nc1ccc2c(c1)OCO2	814993616	BCUFBFOLYNVKKC-UHFFFAOYSA-N	301.306	1.911	50	20	DDGD	
Cn1nnc2c1C[C@H](C(=O)NNc1cnnc3ccccc13)CC2	810404302	MHUVOXYHSKBUAY-SNVBAGLBSA-N	323.360	1.007	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H]2CCCSC2)cc1	813576725	YXNOBOHPHQOKGT-JTQLQIEISA-N	309.391	1.991	50	20	DDGD	
CC(=NNC(=O)Cn1ccc2ccccc21)c1cc(CO)on1	812225889	QZBXTBOXWVPBLZ-UHFFFAOYSA-N	312.329	1.662	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)CC1(F)F	817513884	VGDJWFBMMMNRCR-CQSZACIVSA-N	320.299	1.883	50	20	DDGD	
O=C(CNC(=O)NCc1ccco1)NNc1cccc(Cl)n1	817005883	MUVJPISKRYEEQD-UHFFFAOYSA-N	323.740	1.271	50	20	DDGD	
CO[C@@H]1CCC[C@@H](C(=O)NNc2nc(-c3ccncc3)no2)C1	815235935	KMFCYDHVOKSIKP-VXGBXAGGSA-N	317.349	1.780	50	20	DDGD	
CC(=NNC(=O)NC(C)C)c1cccc(O[C@H](C)C(=O)O)c1	814819838	LETVKKJRZLPDQQ-LLVKDONJSA-N	307.350	1.970	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1cc(N)ccc1F	814827037	RURUJCVIHFQXSP-UHFFFAOYSA-N	318.308	1.271	50	20	DDGD	
COc1ccc2c(c1)OC[C@H]2CC(=O)NNC(=O)CC1CC1	819126937	ZHEFYDLNLBYBDB-LLVKDONJSA-N	304.346	1.509	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NNC(=O)C2=CCCCCC2)c1	810663536	YKYZATBJDJPSNP-UHFFFAOYSA-N	316.361	1.692	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CC(O)(CC)C2)cc1	819728252	UTMDJZPCLCBRFL-ZROIWOOFSA-N	300.358	1.976	50	20	DDGD	
Cc1ccoc1CN(C)C(=O)NNC(=O)c1cccc(C#N)c1	814295726	DNKOZQYTULFJQZ-UHFFFAOYSA-N	312.329	1.946	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccn(COC)n1)c1ccccc1	827184907	JLQVUVNQJIGCDZ-CYBMUJFWSA-N	316.361	1.442	50	20	DDGD	
CN(CCO)c1ccc(C=NNC(=O)Cc2cccnc2)cc1	728784744	RQFXRDVIGAUWAN-UHFFFAOYSA-N	312.373	1.203	50	20	DDGD	
Cc1ccc([C@H]2CCCN2CC(=O)NNC(=O)C(C)C)cc1	827269921	GHCVSDAMSBQSQC-OAHLLOKOSA-N	303.406	1.935	50	20	DDGD	
COC(=O)CCN(CC(C)C)C(=O)/C(C#N)=C/c1cnn(C)c1	491162996	VAUKDJSGTZMMEN-VGOFMYFVSA-N	318.377	1.375	50	20	DDGD	
CCCONC(=O)NNC(=O)c1cc(C)nc2ccccc12	828221912	CDFDZIHWFSEYLD-UHFFFAOYSA-N	302.334	1.829	50	20	DDGD	
COC(=O)N(C)NC(=O)c1nn(-c2ccc(F)cc2C)cc1O	495692127	GIQZVZCWCFCXLI-UHFFFAOYSA-N	322.296	1.368	50	20	DDGD	
O=C(O)CCCCNC(=O)NNc1c(F)c(F)nc(F)c1F	821518777	ISOOJRKBOAQWCT-UHFFFAOYSA-N	324.234	1.519	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(NC(C)=O)c(Cl)c1	822547531	NNCAKLOYESIEQF-UHFFFAOYSA-N	314.798	1.379	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNc1nc(-c2cccnc2)no1	728075776	NCFOYQYCIVCTQH-UHFFFAOYSA-N	313.292	1.957	50	20	DDGD	
O=C(CC1CC1)NNC(=O)CC1CCN(CC(F)(F)F)CC1	823202404	IKLZRHJSAYMYEN-UHFFFAOYSA-N	321.343	1.598	50	20	DDGD	
CN(NC(=O)c1ccc(CS(C)(=O)=O)o1)c1ccccc1	725880061	VVJIBHCWFUXXOP-UHFFFAOYSA-N	308.359	1.605	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)CSC2CC2)c1	822200488	LBNACOCFFCJRAW-UHFFFAOYSA-N	310.375	1.360	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc(OC)c(OC)c1OC	490587744	HXEJPXIBJUMCEV-XFXZXTDPSA-N	320.345	1.382	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc(N)c(OC(F)(F)F)c1	824404567	SCEZSBMLCKIEFQ-UHFFFAOYSA-N	320.271	1.520	50	20	DDGD	
CCC[C@@H](NCc1ccc(B(O)O)cc1F)c1ccccn1	585021057	FMCVVYYNOGMJCW-OAHLLOKOSA-N	302.158	1.532	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C	496119155	DRUPSLVMEYIFCH-SECBINFHSA-N	317.386	1.655	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NN=Cc1ccc(CO)o1	739399744	JIRIBMQLOTZCDQ-SNVBAGLBSA-N	306.293	1.829	50	20	DDGD	
CC[C@H]1CCC[C@H]1C(=O)NNC(=O)c1cncc(NC(C)=O)c1	827148618	MPTNSUUVQFIYPF-SMDDNHRTSA-N	318.377	1.627	50	20	DDGD	
OB(O)c1cccc(-c2noc(CCCC3CCOCC3)n2)c1	585052664	TYDMATOYCRNGKF-UHFFFAOYSA-N	316.166	1.166	50	20	DDGD	
CC(C)OC1(CNC(=O)c2cccc(B(O)O)c2)CCCCC1	584958372	RNYJTYVEMGEXQH-UHFFFAOYSA-N	319.210	1.224	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(C(=O)OCC)cnc1C	494553425	DMEHQPZEHMOCAV-UHFFFAOYSA-N	310.310	1.349	50	20	DDGD	
CC(=O)NNC(=O)c1cnn(-c2cccc(Br)c2)c1	730273071	VQGHVGMCXYNCDL-UHFFFAOYSA-N	323.150	1.416	50	20	DDGD	
O=C1CCC(=NNC(=O)c2cc(-c3ccccc3)[nH]n2)CCN1	834920311	LZNSOFSIPCKXHN-UHFFFAOYSA-N	311.345	1.463	50	20	DDGD	
COc1cc([C@H](C)NCc2cccc(B(O)O)c2)ccc1F	585031569	HWWVDQPXHXWGLX-NSHDSACASA-N	303.142	1.365	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)C1(Cc2cccc(Cl)c2)CC1	830691288	ULUQLDAESXITCG-UHFFFAOYSA-N	310.781	1.581	50	20	DDGD	
CC(=O)N[C@H](CC(=O)NN)c1ccc(Br)cc1	731450304	ADMWSACGTKFDLP-SNVBAGLBSA-N	300.156	1.006	50	20	DDGD	
CCC[C@@H](O)CC(=O)NNc1cccc(Br)n1	837212720	UNHGRZIQQBKNPP-MRVPVSSYSA-N	302.172	1.838	50	20	DDGD	
CC(C)C[C@@H]1C[C@H]1C(=O)OCC(=O)NNC(=O)c1cccs1	837973386	KESOTDFYNNMCSB-GHMZBOCLSA-N	324.402	1.735	50	20	DDGD	
Cc1ncccc1C(=O)NNC(=O)c1ccc(Cl)cc1O	731051099	KPTNTIHQMRTNKB-UHFFFAOYSA-N	305.721	1.824	50	20	DDGD	
Cc1ccc(C)c(C2=NO[C@H](C(=O)NNC(=O)NC3CC3)C2)c1	900383032	LWUNBAGLTXNKMU-AWEZNQCLSA-N	316.361	1.289	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NC[C@H]2CCCO2)ccc1F	837314575	VBBKAKBLQXFUPW-SNVBAGLBSA-N	311.313	1.417	50	20	DDGD	
Cn1ncc(C2CC2)c1C(=O)NNc1cc(C#N)cc(Cl)n1	831544131	RDDKYXATDIGHON-UHFFFAOYSA-N	316.752	1.974	50	20	DDGD	
COCn1ccc(C(=O)NNc2ccc(C(F)(F)F)cn2)n1	832395023	FFAGTDCZCFXLMW-UHFFFAOYSA-N	315.255	1.658	50	20	DDGD	
COC(=O)c1cc(OC(=O)c2cnc(C)cn2)ccc1[N+](=O)[O-]	732653417	SKIVXRSYBYVPQI-UHFFFAOYSA-N	317.257	1.699	50	20	DDGD	
CC[C@@H](C)[C@H](NC(=O)c1ccc(B(O)O)cc1)C(F)(F)F	584981212	ADWWJLUGXHITFL-KCJUWKMLSA-N	303.089	1.073	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCN2CCO[C@@H](C)C2)cc1	838114297	UPOFCZLBIVZSAR-ZDUSSCGKSA-N	322.409	1.432	50	20	DDGD	
CC[C@@H]1C[C@H]1CNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	838666175	WWYXHDIWBQNDCJ-BDAKNGLRSA-N	322.321	1.291	50	20	DDGD	
COc1ccc(CCCCC(=O)N2CC[C@H](B(O)O)C2)cc1	585078255	XANCCCHUXDRUJL-AWEZNQCLSA-N	305.183	1.483	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccccc1C(C)(F)F	835229953	ZMAQKEDJSLFGBE-UHFFFAOYSA-N	315.276	1.514	50	20	DDGD	
Cc1c[nH]cc1C(=O)NNC(=O)c1cc(Br)c[nH]1	916731774	RXPXNGQIHHKSES-UHFFFAOYSA-N	311.139	1.489	50	20	DDGD	
COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NCCCSC#N	916985498	FSUAAGVEURXNBW-GHMZBOCLSA-N	320.436	1.242	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1sccc1C	733744892	VTPIDVVVJDGRKY-SNVBAGLBSA-N	300.405	1.331	50	20	DDGD	
O=C(NC[C@H]1COc2ccccc2C1)NNC(=O)c1ccc[nH]1	916198191	FCPFXKFLMQIXLX-NSHDSACASA-N	314.345	1.210	50	20	DDGD	
Cc1cc(NS(=O)(=O)CCCCCl)cc(C(N)=O)c1	830151549	XLVPEPHMVRRMKD-UHFFFAOYSA-N	304.799	1.855	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CCO[C@H](C)C2)c(F)c1	837207926	SJBPSJLPNFAUQS-NXEZZACHSA-N	310.325	1.871	50	20	DDGD	
COCCCCNC(=O)NNc1ccc(C(=O)OC)cc1F	837545050	ACPNMRHIRQYYGK-UHFFFAOYSA-N	313.329	1.665	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)NNC(=O)c1ccc(Cl)cc1F	747329027	DXAFXUSDYGXISJ-UHFFFAOYSA-N	315.732	1.155	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)c1c[nH]c2ccccc12)C(C)C	743639763	ZRARMRMUOIYXLU-AWEZNQCLSA-N	318.377	1.783	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)NC(=O)CC1CCCCC1	749842865	LHSLSNYEMZQECL-LBPRGKRZSA-N	311.426	1.655	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)[C@@H]1C[C@H]2C=C[C@H]1CC2	842527158	JRSOALMTZVGATD-GVXVVHGQSA-N	316.361	1.525	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1cccc(O[C@@H]2CC(=O)N2)c1	840730124	PKFNYTJOGAMFPX-ATWMFIQVSA-N	301.302	1.294	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC1CCN(C2CCCC2)CC1	748983539	SUJRBVFTBFIVHY-UHFFFAOYSA-N	310.442	1.770	50	20	DDGD	
C[C@@H](C(=O)NNc1ncc(Br)cn1)C(F)(F)F	848321107	IZCBBQCKXDSWNM-BYPYZUCNSA-N	313.077	1.881	50	20	DDGD	
CC(=O)NNC(=O)c1ccccc1N(C)C(=O)c1cccs1	841255713	LIBPNYNMZREJKD-UHFFFAOYSA-N	317.370	1.806	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1cc(C)ccc1O	740762748	GCFNBWZHIPLYGP-UHFFFAOYSA-N	305.378	1.846	50	20	DDGD	
CC[C@@H](C#N)C(=O)NNC(=O)c1cc(-c2ccc(C)cc2)[nH]n1	845212347	YKNNIKNLAAJCQQ-NSHDSACASA-N	311.345	1.696	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1ccc([S@@](C)=O)cc1	842552007	GVDKIXDJQRYUQD-ZWTFIKMHSA-N	308.403	1.689	50	20	DDGD	
Cc1nc(C)c(C#N)c(SCC(=O)NNC(=O)C(C)(C)C)n1	742451611	YTHIRGSRAORALG-UHFFFAOYSA-N	321.406	1.251	50	20	DDGD	
CC1CCN(C[C@H](C)C(=O)NN=Cc2ccc(O)nc2)CC1	841615123	WIXPOJBWQQQVPL-ZDUSSCGKSA-N	304.394	1.605	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)C1SCCCS1	841385554	VZVKDLHTGXHYKE-UHFFFAOYSA-N	301.393	1.306	50	20	DDGD	
COc1ccccc1CC(=O)NN=C[C@@H](OC)[C@@H]1CCOC1	841621013	QHDFZUONIQCHFI-UKRRQHHQSA-N	306.362	1.391	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@H](N)c2ccccc2)n1	841951881	ZZHSOQOLVNLFFM-LBPRGKRZSA-N	316.365	1.120	50	20	DDGD	
COc1ccccc1C1(C(=O)NNC(=O)c2ccccn2)CC1	749162205	KOGRLOJJZSWSPQ-UHFFFAOYSA-N	311.341	1.583	50	20	DDGD	
COC(=O)NNC(=O)C1(C(=O)Nc2c(F)cccc2F)CC1	848367372	IFECAEKRQZCHJQ-UHFFFAOYSA-N	313.260	1.071	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)CCCC(=O)N(C)C)o1	746185689	WTDJLYOWPJNIKF-UHFFFAOYSA-N	307.354	1.371	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H](C)CCCCN)c1	841997437	WSPRAYUCNHPOGQ-LLVKDONJSA-N	308.382	1.617	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=C/C=C/c1ccc(F)cc1	747765231	XOAZRRLIKJVJIG-AQPVDJSSSA-N	316.292	1.385	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843645682	GLBAQPLUSJIBAB-KOLCDFICSA-N	307.306	1.089	50	20	DDGD	
COc1cc(O)c(C=NNC(=O)[C@H]2CCO[C@H]2C)cc1OC	842563315	YLOAYOXPYUFXOK-ONGXEEELSA-N	308.334	1.285	50	20	DDGD	
NCC[C@@H]1CN(S(=O)(=O)CBr)c2ccccc21	850586669	BSZAPFOBECDEBL-SECBINFHSA-N	319.224	1.621	50	20	DDGD	
O=C(NC[C@H]1CCCNC1=O)NNc1ccc(F)cc1Cl	922860610	JMAIPZJJPMZODR-MRVPVSSYSA-N	314.748	1.631	50	20	DDGD	
COC(=O)[C@]1(NC[C@@H](CBr)C2CC2)CCOC1	859221963	RGIJVFDDEZJGFQ-PWSUYJOCSA-N	306.200	1.329	50	20	DDGD	
O=C(NNC(=O)C1(Cc2cccc(Cl)c2)CC1)c1cc[nH]n1	855354363	BRSKPHCMZKHKJX-UHFFFAOYSA-N	318.764	1.847	50	20	DDGD	
CNc1cc(Cl)ccc1C(=O)NNc1nccnc1OC	857539923	LIDBQYSCJNUEGS-UHFFFAOYSA-N	307.741	1.937	50	20	DDGD	
O=C(NN=C[C@H]1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1	755622224	VZWJFTUSDUMOQF-OLZOCXBDSA-N	306.387	1.253	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=C/C=C/c1ccco1	750943207	FIUKJGACIPZUJL-UAAPSQMFSA-N	303.343	1.886	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1ccc(Cl)cn1)C(F)(F)F	852104596	CSNGEZORVNWUDM-ZETCQYMHSA-N	312.679	1.938	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)Cc2occc2C)n1	857154354	UGOOBGCXPNEYFN-UHFFFAOYSA-N	303.366	1.910	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CCn2cccn2)ccc1C	857266676	ADTPZJOMYVJTMM-UHFFFAOYSA-N	302.334	1.512	50	20	DDGD	
C[C@]1(CNC(=O)NCCCN2CCCC2)C[C@H]1Br	856717771	FSWYGBXOISGTIM-DGCLKSJQSA-N	318.259	1.945	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C[C@@H](C)c1ccncc1	854282120	CTWBAXTVYGDGNQ-GFCCVEGCSA-N	324.450	1.449	50	20	DDGD	
O=C(NC[C@@H](O)CCc1ccccc1)NNC(=O)C1CCCC1	753340819	XAEZBAIVSQHNBR-HNNXBMFYSA-N	319.405	1.501	50	20	DDGD	
COC1CCN(C(=O)NC[C@]2(C)C[C@H]2Br)CC1	856755274	TWXPZSHGKAKBGB-PWSUYJOCSA-N	305.216	1.980	50	20	DDGD	
CCN1C[C@@H](NC(=O)NNc2ccc(Cl)cc2F)CC1=O	922721929	JCXGPUIDKWWGTE-VIFPVBQESA-N	314.748	1.726	50	20	DDGD	
C[C@@H](CC=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1	755663579	BDCLUONIZKSSCA-GXTWGEPZSA-N	323.418	1.652	50	20	DDGD	
O=C(NNC(=O)N1CCOc2cc(F)ccc2C1)C1CCCC1	858393286	PMSXGYDYNOBZLL-UHFFFAOYSA-N	321.352	1.951	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2ccc(N)c(C)c2)n1	850773062	AJPIQFPDSPEYEF-UHFFFAOYSA-N	316.365	1.243	50	20	DDGD	
CNc1ccc(Cl)c(C(=O)NNC(=O)NCCCOC)c1	858783169	OIJRFZOYUBBYNH-UHFFFAOYSA-N	314.773	1.362	50	20	DDGD	
Cn1ccnc(NNC(=O)[C@H]2CCc3cc(F)ccc32)c1=O	857144560	MYEHVIJBRSHLQX-LBPRGKRZSA-N	302.309	1.093	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@@H]1CCCC[C@@H]1N1CCCC1=O	854443431	YMRQIPAYGBXUNJ-NEPJUHHUSA-N	320.368	1.845	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)c1cccc(F)n1)CC(C)C	852384974	JOJALESDFMKACR-JTQLQIEISA-N	312.345	1.226	50	20	DDGD	
C#Cc1ccc(C(=O)NNc2nc(O)c3ccccc3n2)nc1	758295941	OOPWHNNXWMYMRZ-UHFFFAOYSA-N	305.297	1.469	50	20	DDGD	
Cc1csc(C=NNC(=O)[C@H](C)CN2C[C@@H](C)O[C@H](C)C2)n1	755588406	RJUAIBSXUWOVAN-RAIGVLPGSA-N	324.450	1.647	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNc1ccc([N+](=O)[O-])cc1F	855622752	KIORONHEXBICDW-UHFFFAOYSA-N	313.285	1.766	50	20	DDGD	
O=C(NN=C1CCC(F)(F)CC1)[C@@H]1CN2CCC[C@@H]2CO1	853390903	ROMBRADTXPXQOR-NEPJUHHUSA-N	301.337	1.531	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@H]1[C@@H]1CCCO1)c1cccc(F)n1	852708608	ABNHYPJODMZSQM-RYUDHWBXSA-N	322.340	1.219	50	20	DDGD	
CC1(C)C[C@@H](CNC(=O)NNc2ncc(Cl)cn2)CCO1	856913622	FJMGFNQBVQUZSY-VIFPVBQESA-N	313.789	1.961	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@@H]1Cc2cccc(O)c2C1	759462874	QNICKQWVPKDUBI-SECBINFHSA-N	319.752	1.629	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C[C@@H](C)c1ccco1	861576447	DHUGWRMZIDSTOS-LLVKDONJSA-N	312.366	1.710	50	20	DDGD	
CCCOc1cccnc1C(=O)NNc1nccnc1OC	760874012	REKZWUWRAYCYPT-UHFFFAOYSA-N	303.322	1.426	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cnn(C3CC3)c2)cc1F	861926116	COHMYJDBVXLDCC-UHFFFAOYSA-N	318.308	1.901	50	20	DDGD	
O=C(NN=C1CCN(CCc2ccccc2)CC1)c1cn[nH]c1	863156212	QKKVCURXUKJQMI-UHFFFAOYSA-N	311.389	1.834	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)Cc2cc(C)[nH]n2)c1	869013152	ONRWGBFAXQWPTI-UHFFFAOYSA-N	316.361	1.186	50	20	DDGD	
COCCOCC(=O)NNC(=O)C[C@H](C)c1ccc(F)cc1	869909131	JWNZYQBLHIBNFH-NSHDSACASA-N	312.341	1.130	50	20	DDGD	
Cc1ccc([C@H](C)C=NNC(=O)Cc2cc(O)nc(O)n2)cc1	863096427	HTLPQUPASJFQON-LLVKDONJSA-N	314.345	1.644	50	20	DDGD	
COc1ccc(OC)c(C(C)=NNC(=O)Cc2cc(C)[nH]n2)c1	767395601	GEEVKFGNINCWGI-UHFFFAOYSA-N	316.361	1.818	50	20	DDGD	
Cc1cccc(CO[C@H](C)C(=O)NNC(=O)Cc2cc[nH]n2)c1	865198195	IYSCYKQIASBYLI-GFCCVEGCSA-N	316.361	1.013	50	20	DDGD	
C[C@H](NNC(=O)Cn1ccc2ccccc2c1=O)C(F)(F)F	862318083	OVFRYSVGWUXBCM-VIFPVBQESA-N	313.279	1.573	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CC[C@H](C)[C@@H](C)C2)c1	766989482	DWROJIOWHDVPJS-KBPBESRZSA-N	303.406	1.734	50	20	DDGD	
COc1ccc(NNC(=O)c2cccnc2O)c([N+](=O)[O-])c1	768338094	FONGRAQHKCGAAL-UHFFFAOYSA-N	304.262	1.461	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=Cc1ccccc1C1CC1	763199321	PMNXTHNUYTUIDC-UHFFFAOYSA-N	322.368	1.839	50	20	DDGD	
CN1C(=O)CC[C@@H]1C(=O)NNc1nc2ccccc2[nH]c1=S	862292929	KPCPQUYQOOZKQI-SNVBAGLBSA-N	317.374	1.356	50	20	DDGD	
COc1ccc2c(c1)[C@H](C(=O)NNC(=O)CC(F)(F)F)CC2	762844976	RZOLCUFVGKHWCB-SNVBAGLBSA-N	316.279	1.825	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H]2CCCc3sccc32)n[nH]1	869015373	QEZQFEOOIWYNMC-LBPRGKRZSA-N	318.402	1.590	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H](C)CN2C[C@H](C)O[C@@H](C)C2)nc1	761804854	STPNCRUAIKWTMF-ILXRZTDVSA-N	318.421	1.585	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1c(F)ccc(C)c1F	766825691	YZSJURCWYBHSHY-UHFFFAOYSA-N	301.293	1.254	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1cc2c(s1)CCCC2	764669013	HAVFXOSHTLSNGO-UHFFFAOYSA-N	305.403	1.746	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)c1cncnc1	760803316	VNSKYHQQIDPZPW-UHFFFAOYSA-N	306.325	1.634	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H]2C[C@@H]2C1)c1nc2ccccc2s1	873305789	YNBATCRRIWGTIN-VHSXEESVSA-N	316.386	1.993	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C2(CCOC)CC2)c1	874950170	OLEFKFYHEMMCQE-UHFFFAOYSA-N	317.414	1.802	50	20	DDGD	
CCCn1cc(C=NNC(=O)Cn2ccc3ccccc32)nn1	872348989	AJMJSFQTBDUFQH-UHFFFAOYSA-N	310.361	1.793	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccc(OC(F)F)cn2)n1	776155725	GXINBGGQCZDEQY-UHFFFAOYSA-N	324.291	1.296	50	20	DDGD	
COC(=O)C1(C(=O)NNC(=O)c2nc3ccccc3s2)CC1	874914400	VNMOEMOQSMXVIL-UHFFFAOYSA-N	319.342	1.011	50	20	DDGD	
CCC1(O)CCC(NC(=O)NNC(=O)c2ccccc2)CC1	771909914	CPYOKGKNIQPKQI-UHFFFAOYSA-N	305.378	1.714	50	20	DDGD	
Cc1cc(=NNC(=O)NC2CCN(CC3CC3)CC2)cc[nH]1	875120379	XHKASEYKFQHUOW-UHFFFAOYSA-N	303.410	1.312	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNc1ccc(C(F)(F)F)cn1	775262067	WWZSPLRRSGKITL-SSDOTTSWSA-N	304.272	1.458	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC(C(C)C)C(C)C)n1	770416591	UXIXXEQVUFSQQP-UHFFFAOYSA-N	309.414	1.511	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(S(C)(=O)=O)c1)c1ccco1	776535512	DJLJRMWFGXNIRE-JTQLQIEISA-N	308.359	1.930	50	20	DDGD	
CCS[C@@H]1CCC[C@H](NC(=O)NNC(=O)c2cn[nH]c2)C1	875343304	VQHZPOTUPGWULX-WDEREUQCSA-N	311.411	1.418	50	20	DDGD	
COc1ccc2[nH]c(C)c(C(=O)NNC(=O)c3cccnc3)c2c1	1116339415	DZMPMPHQCZASIA-UHFFFAOYSA-N	324.340	1.955	50	20	DDGD	
Cc1c(C(=O)NNC(=S)N[C@H](C)C2CC2)ccc2cncn12	1118774263	KGTKVNAGGSGFIZ-SECBINFHSA-N	317.418	1.550	50	20	DDGD	
CN(CC(=O)NNC(=O)C1CC1)Cc1cc(F)c(F)c(F)c1	777740472	ASUUDKASMRUBNC-UHFFFAOYSA-N	315.295	1.093	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1ccc(C#N)cc1Cl	779829431	JHMPWGKKSGYYEW-UHFFFAOYSA-N	315.782	1.567	50	20	DDGD	
C[C@H](c1cccnc1)N(C)CC(=O)NNC(=O)c1cccs1	777712496	BRKCKXMFRMVUMM-LLVKDONJSA-N	318.402	1.597	50	20	DDGD	
COc1ccc(OCc2nc(C=NNC(=O)CO)cs2)cc1	776782480	BFUNBVAQLRLFBJ-UHFFFAOYSA-N	321.358	1.173	50	20	DDGD	
CN(NC(=O)c1cc(CCc2ccccc2)ccc1O)C(N)=O	778417338	SKCKNPVHJVSPPH-UHFFFAOYSA-N	313.357	1.833	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNc2cccc(S(C)(=O)=O)c2)CCC1=O	776526861	ABWIFRMYYUKHMC-MNOVXSKESA-N	324.402	1.539	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cnn(CC(C)C)c2C)n1	775694395	FMSVSOBPNIXUDF-UHFFFAOYSA-N	319.369	1.795	50	20	DDGD	
C[C@H]1CCCC[C@H]1CC(=O)NNc1nc(O)c2cnn(C)c2n1	770980201	NSFXPXLAEFKGKV-UWVGGRQHSA-N	318.381	1.728	50	20	DDGD	
CC(CCn1cccn1)=NNC(=O)c1ccc2c(c1)OCCO2	776763697	NUGXBNOPLUIPQK-UHFFFAOYSA-N	314.345	1.850	50	20	DDGD	
CC[C@H](CO)C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	779579674	QZGZDQVQZWCVNY-CHWSQXEVSA-N	308.378	1.237	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CCC[C@@H]2OC)c(F)c1	1120742897	KBSNTJOLMGAMET-MFKMUULPSA-N	310.325	1.871	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2c(F)cc(F)cc2F)CCC1	885151635	JRHRENWPNPKPOI-UHFFFAOYSA-N	322.308	1.514	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(OC)cc(OC)c2)nc1	781530925	QUBMATDITBABNL-UHFFFAOYSA-N	303.318	1.864	50	20	DDGD	
COC(=O)c1sccc1NC(=O)C(=O)NNc1ccccn1	784793383	UPNFKBWUBOEXDB-UHFFFAOYSA-N	320.330	1.012	50	20	DDGD	
COc1ccc(F)c(C(=O)NNC(=O)c2ccccn2)c1OC	788488744	NFWASJRUVJSHNB-UHFFFAOYSA-N	319.292	1.313	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C1CCOCC1)[C@@H]1C[C@H]2CC[C@H]1C2	883038426	HVHXNYWBGGLIIW-XWUBHJNHSA-N	309.410	1.568	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)NNc1ncncc1Cl	780955907	RHNSWAHDIMOGBF-UHFFFAOYSA-N	306.713	1.101	50	20	DDGD	
O=C(NNc1cccc(F)c1)C(=O)Nc1cccc2c1OCO2	783037263	MEELARWJAKHRTH-UHFFFAOYSA-N	317.276	1.636	50	20	DDGD	
CS(=O)(=O)Nc1cccc(C(=O)NNc2ccnc(F)c2)c1	781359446	NQJCRZINBGMCMF-UHFFFAOYSA-N	324.337	1.349	50	20	DDGD	
CC[C@@H]1C[C@H](CC(=O)NNC(=O)NCc2ccco2)CCO1	781681331	GTBHWLKLHHEAQB-VXGBXAGGSA-N	309.366	1.705	50	20	DDGD	
COc1cccc(NNC(=O)CCSc2n[nH]c(C)n2)n1	781024417	ZAWGPURRDDXEFC-UHFFFAOYSA-N	308.367	1.142	50	20	DDGD	
COC(=O)NNC(=O)c1nc(C(C)C)ncc1Br	891769534	ALSHEGHDTJBNIX-UHFFFAOYSA-N	317.143	1.363	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@]2(OC)CCSC2)c1	896973831	UUFOQMNJGRKLQZ-ZDUSSCGKSA-N	300.355	1.800	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2Cc3ccccc3[C@H]2O)C[C@H]1Br	891090792	VBIKNCJQNBVUBK-BYNQJWBRSA-N	310.191	1.934	50	20	DDGD	
CC1(C)CC[C@@H](C(=O)NNC(=O)CNC(=O)c2cccs2)C1	781641912	WLVUKHZGRPATGH-SNVBAGLBSA-N	323.418	1.452	50	20	DDGD	
N#CC1=CCN(C(=O)c2nn(-c3ccc(F)cc3)ccc2=O)CC1	780688198	YUTNMGMOVBCIJL-UHFFFAOYSA-N	324.315	1.667	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)[C@H]1CCc2nccn2C1	788000556	WUPYNTXPTORDBS-NSHDSACASA-N	308.345	1.532	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ccc([N+](=O)[O-])n1C	780738194	IFSSUEZZSIQEIQ-UHFFFAOYSA-N	318.289	1.477	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2[nH]c(C)nc2C)c1	899939409	NNWRKMUCHUFVEJ-UHFFFAOYSA-N	316.361	1.483	50	20	DDGD	
Cc1ccc(F)c(C(=O)NN(C)C(N)=O)c1Br	787484955	JNONGSUYMOJUGB-UHFFFAOYSA-N	304.119	1.552	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CCN(C)[C@@H]1C	788264781	YAYYTARUDSZPAW-GRYCIOLGSA-N	323.368	1.081	50	20	DDGD	
C[C@H](CN1CCCCCC1)C(=O)NNC(=S)NC1(C)CC1	789178330	QBMGHBGGKQUQND-GFCCVEGCSA-N	312.483	1.546	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2CC(c3cn(C)nc3C)=NO2)c1	892173463	UPNYYEVJFWXPLS-HNNXBMFYSA-N	313.361	1.673	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1c(F)ccc(O)c1F	798169685	CIDPRMKRUFSHSM-UHFFFAOYSA-N	300.652	1.871	50	20	DDGD	
COc1cccn2ncc(C(=O)NNC(=O)CC3CCCC3)c12	893802079	RJICSELYSUZBLB-UHFFFAOYSA-N	316.361	1.684	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(F)ccc1-n1cccn1	798307342	PSUWXSDQLRTVHX-UHFFFAOYSA-N	319.365	1.306	50	20	DDGD	
Cn1cc(C(=O)CCC(=O)NNc2ccccc2[N+](=O)[O-])cn1	792776720	KSBQGXSDATYYGB-UHFFFAOYSA-N	317.305	1.435	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)c1cccn1C)c1cccnc1	797797703	DUHKIAIYRWKHKI-CQSZACIVSA-N	300.362	1.621	50	20	DDGD	
CC[C@@H](C)CC[C@@H](O)CC(=O)NNC(=O)NCc1ccco1	793207768	QSDBEBGSBJFJJJ-VXGBXAGGSA-N	311.382	1.687	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1)[C@@H](C)O	790070321	NWQQUUBKCGNWMU-NRUUGDAUSA-N	312.341	1.147	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1ccc(O[C@@H](C)C(=O)O)cc1	794909136	QTWBGDDBRAIYEJ-JTQLQIEISA-N	316.317	1.334	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1c(C(F)(F)F)n[nH]c1C	798304739	KAHPHWWTAORIDV-UHFFFAOYSA-N	307.301	1.032	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2nncc(N)c2Cl)C[C@@H](C)O1	1319770232	XETFUHYVFPBBEF-RNLVFQAGSA-N	314.777	1.294	50	20	DDGD	
CCN(C)[C@@H](C(=O)NNC(=S)NC(C)C)c1ccccc1	1318356562	IPBRHHIXIWRKNH-CYBMUJFWSA-N	308.451	1.583	50	20	DDGD	
CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N(C)N)C1	1573956478	DUHWTMYRBMNWND-CJNGLKHVSA-N	321.377	1.135	50	20	DDGD	
Cc1coc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1C	1322083562	VTVLOFIPIIIITL-UHFFFAOYSA-N	311.338	1.182	50	20	DDGD	
CC[C@H](CC(F)(F)F)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	1326767227	QBJAPSJDSYCDME-IWSPIJDZSA-N	311.304	1.473	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1cccc(COCC2CC2)c1	1323984761	CTYBWDTZZOLBPB-UHFFFAOYSA-N	307.350	1.148	50	20	DDGD	
COc1ccc(CC(=O)NNc2ccn(C)n2)c(Cl)c1OC	1328771420	KZWXBSBNRWLJLR-UHFFFAOYSA-N	324.768	1.777	50	20	DDGD	
O=C(CSCc1cccs1)NNC(=O)Cc1cc[nH]n1	1320114605	YKDFMCRCDZPCNX-UHFFFAOYSA-N	310.404	1.095	50	20	DDGD	
COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)CCl)cc1	1323269780	QPSKRFMBCJSZJA-VIFPVBQESA-N	320.798	1.177	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)Nc2nocc2C)cc1	1320138479	LJWJWWNRVWNVJM-UHFFFAOYSA-N	318.333	1.777	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2CCCC2)c(Cl)n1	1339450821	MFPVLPVVTUCXFN-UHFFFAOYSA-N	324.768	1.320	50	20	DDGD	
Cc1conc1NC(=O)NNC(=O)c1ccc(Cl)cc1O	1337814521	GBBXIVXJFAGHCL-UHFFFAOYSA-N	310.697	1.809	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ccc(O)c(Cl)c2)c1Cl	1333604680	JYPIAQHSBRDBLD-UHFFFAOYSA-N	314.132	1.828	50	20	DDGD	
C[C@]1(Cn2nnnc2N2C3CCC2CC3)C[C@H]1Br	1334657369	LNQMCGHLGQRLCV-PQFJONNWSA-N	312.215	1.978	50	20	DDGD	
O=C(Nc1cn[nH]c1)[C@@H]1CCN(C(=O)C2CCC(Cl)CC2)C1	1348708226	VXRDSINNRZOHEJ-MOENNCHZSA-N	324.812	1.994	50	20	DDGD	
O=C1CC[C@@H]2[C@H]1[C@H]2C(=O)NNc1cncc(Br)c1	1352034169	NMGYLICZSJVUFI-IEBDPFPHSA-N	310.151	1.512	50	20	DDGD	
N#CSCCCNS(=O)(=O)c1ccc(C(=O)O)cc1	1601079240	IBUMCJDGTFVYAP-UHFFFAOYSA-N	300.361	1.267	50	20	DDGD	
O=C(CCc1ccc(O)nc1)NNc1cccc(C(=O)O)c1	1601287161	NOQJPIZQCAEHIW-UHFFFAOYSA-N	301.302	1.561	50	20	DDGD	
O=C(NN[C@@H](Cc1ccc(Cl)cc1)C(=O)O)c1ccccn1	1608479384	DLTPONDTWLIQDZ-ZDUSSCGKSA-N	319.748	1.665	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(F)c(C(=O)O)c1)[C@H]1CCOC1	1609767561	HNMMCXFGKYENOB-IUCAKERBSA-N	311.313	1.575	50	20	DDGD	
CNc1ncc(C(=O)NNc2ccc(C(=O)O)c(F)c2)s1	1606313899	CARZJNCBNWVLCY-UHFFFAOYSA-N	310.310	1.779	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccnc(CO)c2)c(F)c1	1608905072	XTPBYBBKJWDOCS-UHFFFAOYSA-N	305.265	1.168	50	20	DDGD	
O=C(NN[C@@H](C(=O)O)c1cccc(Cl)c1)[C@@H]1CCCCO1	1608479429	GDCUEADHBCPYJH-NWDGAFQWSA-N	312.753	1.656	50	20	DDGD	
O=C(C[C@H]1CCCC(=O)N1)NNc1cccc(C(=O)O)c1F	1601249588	HQCVZFCVOYKUFT-MRVPVSSYSA-N	309.297	1.026	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)/C=C\c2ccc(C(=O)O)o2)n1	1601220421	GOZFOURXUQAWEI-RQOWECAXSA-N	323.696	1.160	50	20	DDGD	
O=C(NCCOCC(F)F)NNc1ccc(F)c(C(=O)O)c1	1601505925	ZQHAFBPZVKGRBL-UHFFFAOYSA-N	321.255	1.432	50	20	DDGD	
Cc1cc(C)c(NCC(=O)NN[C@H](C(=O)O)C2CC2)c(C)c1	1600163129	ATNKQMXTMINFHE-HNNXBMFYSA-N	305.378	1.508	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNC(=O)CCCCCN)cc1C	1575040686	VHIBUXVZXICZRI-UHFFFAOYSA-N	320.393	1.869	50	20	DDGD	
C=CCCC[C@@H](N)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	1574908855	YOJXGLDRAVRIBM-GFCCVEGCSA-N	306.322	1.039	50	20	DDGD	
CC(C)[C@H](N)C(C)(C)C(=O)NNC(=O)c1ccc(Cl)nc1	1575447886	UIWRGLYVJNLJFK-NSHDSACASA-N	312.801	1.506	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)CNCC2CC2)c1	1579706271	OAWWZHVURPSUDD-UHFFFAOYSA-N	310.398	1.451	50	20	DDGD	
N#Cc1ccc(NNC(=O)Nc2cccc3c2CCNC3)nc1	1580072034	YJTXYASDQGTKFU-UHFFFAOYSA-N	308.345	1.748	50	20	DDGD	
C[C@@]1(C(=O)N2CCCC23CN(C(=O)[C@H](F)Cl)C3)CC1(F)F	1846983826	FOVJKRGVYHPRHB-KWQFWETISA-N	324.730	1.770	50	20	DDGD	
O=C(C(Cl)Cl)N1CCCC12CN(C(=O)C1(F)CC1)C2	1846389017	URRCPZNYJWCMOK-UHFFFAOYSA-N	309.168	1.496	50	20	DDGD	
CC(C)(CC=NNC(=O)c1ccc2c(c1)OCCO2)C(=O)O	1590654580	QSLQEYJZXVHMDQ-UHFFFAOYSA-N	306.318	1.674	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](C)c1ccc(-c2nn[nH]n2)cc1	1590797668	ZHBGDWTZJCLDCU-PEHNMLCRSA-N	312.333	1.488	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNc1cccc(C(=O)O)c1)C(C)C	1596510503	OTPPAFPAWDBVBE-GFCCVEGCSA-N	308.334	1.663	50	20	DDGD	
COCCN(CC(C)C)NC(=O)[C@@H](C(=O)O)C1CCCC1	1594000136	BAIMEVAHQZOAOV-ZDUSSCGKSA-N	300.399	1.513	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NC[C@@H]2C[C@@H]2C(=O)O)cc1	1597081155	BIZKWDFKRVQQNE-UIFQMKBASA-N	314.341	1.829	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)O)C2	1590700972	AOQMOQJRDUSPAA-AXFHLTTASA-N	323.842	1.766	50	20	DDGD	
COc1ccc(NNC(=O)CC[C@@H]2C[C@H](C(=O)O)CO2)cc1	1599597346	RRFPAAMRFOFCET-GXFFZTMASA-N	308.334	1.408	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)cc1	1595221074	WIJVWDKOGIKMOC-UHFFFAOYSA-N	323.308	1.983	50	20	DDGD	
Cn1cc(C(=O)O)cc1C=NNC(=O)c1ccc(Cl)nc1	1776035987	ULBLPXWVDGHAHY-UHFFFAOYSA-N	306.709	1.536	50	20	DDGD	
N#Cc1cccc(C(=O)NN=Cc2cc(C#N)ccc2C(=O)O)c1	1776042797	WHKGHPXWJUOZMP-UHFFFAOYSA-N	318.292	1.892	50	20	DDGD	
COc1ccc(C(=O)O)cc1C=NNC(=O)c1nccs1	1776109517	OCPBAPJUGBDRLT-UHFFFAOYSA-N	305.315	1.614	50	20	DDGD	
C[C@H]1CCCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1	16446134	SKYDMWDMIVVCTD-NSHDSACASA-N	320.349	1.088	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)Cn2ccnc2CC)cc1C	158398395	CYQQETQFZZQGRO-UHFFFAOYSA-N	320.418	1.839	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(-n2cnc3ccccc32)nc1	158859818	DMBYPXRGJHBGCH-UHFFFAOYSA-N	311.301	1.421	50	20	DDGD	
COC(=O)[C@H](NNC(=O)c1c[nH]c2ccccc12)c1cccnc1	152123949	SULRPVBFGOQLSF-OAHLLOKOSA-N	324.340	1.712	50	20	DDGD	
COc1cc(F)cc(NNC(=O)COc2c(C)nn(C)c2C)c1	156012983	MQRWXLXCJFHBFP-UHFFFAOYSA-N	322.340	1.707	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)CCn2cc([N+](=O)[O-])cn2)c1	159072953	KSURKHVKMWGBFC-UHFFFAOYSA-N	303.322	1.942	50	20	DDGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CCO[C@H](CF)C1	841553492	FKIQVGAHDPBXTA-GFCCVEGCSA-N	321.801	1.827	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1ccccc1C	510826	XMNUUNAVOGWILR-UHFFFAOYSA-N	314.341	1.844	50	20	DDGD	
C=C(C)CNC(=S)NNC(=O)CNc1ccccc1OC	7520590	AIQDIJBFMZDPOK-UHFFFAOYSA-N	308.407	1.179	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)SCc1ccccc1	109860048	FOEAGHIHGIKBOV-NSHDSACASA-N	318.402	1.801	50	20	DDGD	
COCCOc1ccc(C(=O)NNc2cc(C)nc(C)n2)cc1	172375562	NADQUTJDCOXJJR-UHFFFAOYSA-N	316.361	1.876	50	20	DDGD	
O=C(CCc1ccc(F)cc1)NNC(=O)Cc1ccncc1	175789442	XRVOLORRNIBRFM-UHFFFAOYSA-N	301.321	1.543	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1nc2ccccc2n1C)C1CC1	175201482	BHXFKOXWBNBTMR-JTQLQIEISA-N	300.362	1.309	50	20	DDGD	
CCCNC(=O)CCC(=O)NNC(=O)[C@@H](CC)c1ccccc1	110963616	MIDDUPQZHAQXBP-AWEZNQCLSA-N	319.405	1.634	50	20	DDGD	
CC(=O)Nc1ccc(F)c(C(=O)NNC(=O)c2cccnc2)c1	53061931	QGYTVGAKYSNEKN-UHFFFAOYSA-N	316.292	1.254	50	20	DDGD	
COc1ccccc1CN(CC(=O)NNC(=O)C1CC1)C1CC1	112977319	CEQVGWYBQAUZLA-UHFFFAOYSA-N	317.389	1.217	50	20	DDGD	
COc1cccc(OCC(=O)NNc2ccc(Cl)nn2)c1	118502343	GQNUBOWEODAAFP-UHFFFAOYSA-N	308.725	1.661	50	20	DDGD	
COc1ccc(OCCNC(=O)NNc2ccccn2)cc1	60623855	FUTCQZIETHEYTD-UHFFFAOYSA-N	302.334	1.795	50	20	DDGD	
COCCNC(=O)NNC(=O)Nc1ccc(C)cc1Cl	173925092	HFCRYUDIPODQMO-UHFFFAOYSA-N	300.746	1.631	50	20	DDGD	
CO[C@@]1(C)C[C@@H](NC(=O)NNc2nc(C)cc(C)n2)C1(C)C	173718777	XLVWUZOFXNPEAD-ABAIWWIYSA-N	307.398	1.923	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc2c(c1)NC(=O)CS2	63270928	VMJZXQBDIQXGDS-UHFFFAOYSA-N	308.363	1.083	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2cccc(C#N)c2)c1	25168468	HGTIDDRPFZJTKN-UHFFFAOYSA-N	308.341	1.699	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC2CC2)c(C)n1-c1ccccn1	64900496	JVEJBKUOMGMAKY-UHFFFAOYSA-N	313.361	1.596	50	20	DDGD	
COC(=O)[C@H]1CCC[C@@H](C(=O)NNc2nc(C)cc(C)n2)C1	173799745	ZECAQSGIOSMSPL-NEPJUHHUSA-N	306.366	1.516	50	20	DDGD	
C[C@H](Cc1ccc(F)cc1)C(=O)NNC(=O)c1cnn(C)c1	117682410	ADFFIFDNLIFPNO-SNVBAGLBSA-N	304.325	1.199	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCC(=O)NCC(C)C	64628821	KQHYRNGZIDQZSM-UHFFFAOYSA-N	321.381	1.103	50	20	DDGD	
CCN(C[C@@H]1CCCO1)C(=O)NNC(=O)c1ccc(C#N)cc1	126435617	SSAXZOICWOHGGQ-AWEZNQCLSA-N	316.361	1.414	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNc1cncc(Cl)n1)c1ccco1	126270449	AAOGWVAZGZTURJ-VIFPVBQESA-N	324.772	1.652	50	20	DDGD	
O=C(CSc1ccc(F)c(F)c1)NNC(=O)NCC1CC1	65193196	NSRSGAOKEBLGPB-UHFFFAOYSA-N	315.345	1.797	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cccc(C)c1Br	120572110	WFYPPSJWECVBMQ-UHFFFAOYSA-N	316.155	1.557	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1Cc1ccccn1)c1ccccc1	77975256	LGVUBTGYFJMANG-INIZCTEOSA-N	324.384	1.507	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2ccc(F)cn2)n1	182733636	FNUBVEZNEAHFFV-UHFFFAOYSA-N	304.329	1.614	50	20	DDGD	
C[C@H]1CCC[C@@H](N(C)CC(=O)NNC(=O)c2ccccc2)C1	182044933	KRXOQWBKGYXIGN-DZGCQCFKSA-N	303.406	1.958	50	20	DDGD	
CC1(C)C[C@@H](NC(=O)NNC(=O)Cc2ccccc2F)CCO1	125234021	XRDBJPDWCZXRSN-LBPRGKRZSA-N	323.368	1.656	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)cc1C	75875023	INMVNHZYUOFFIP-UHFFFAOYSA-N	305.378	1.826	50	20	DDGD	
CO[C@@H](C)C(=O)NNC(=O)CSc1ccc(Cl)cc1	77528562	JFJWGBUBZDJZBK-QMMMGPOBSA-N	302.783	1.614	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cccc(OCC(F)F)n1	123306468	VZPYCENYRHPDEA-UHFFFAOYSA-N	313.239	1.412	50	20	DDGD	
COc1ncccc1C(=O)NNc1nc(-c2ccncc2)no1	76453362	AKGJSTKLEOHCQZ-UHFFFAOYSA-N	312.289	1.292	50	20	DDGD	
CCc1nc(CC(=O)NNc2cc(Cl)nc(N)n2)cs1	183532008	BWDHWECOWUBLPS-UHFFFAOYSA-N	312.786	1.417	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCCc2cccs2)cc(O)n1	180170878	MDWSXZMVEKGDET-UHFFFAOYSA-N	320.374	1.344	50	20	DDGD	
CN(C)C(=O)c1ccc(NC(=O)NNC(=O)c2ccc[nH]2)cc1	183021703	UTLXRFDLIGJTRU-UHFFFAOYSA-N	315.333	1.183	50	20	DDGD	
CCN1CCCC[C@H]1CNC(=O)NNc1nc2ccccn2n1	188821773	MGAKSFQOOPTHDI-LBPRGKRZSA-N	317.397	1.230	50	20	DDGD	
N#C/C(=C\c1ccn(-c2ccccc2)n1)S(=O)(=O)NC1CC1	188032016	IXEWIKCNXRICEN-XNTDXEJSSA-N	314.370	1.819	50	20	DDGD	
CC(C)(CO)CCCNC(=O)NNC(=O)c1ccc(C#N)cc1	86405269	UWMFWRRHCCNUOK-UHFFFAOYSA-N	318.377	1.301	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(C#N)[nH]1	133282019	QCGPQPWZKFHCQD-VIFPVBQESA-N	316.292	1.254	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)NNc1cccc(Cl)c1	45080699	LAONSYIPONDECY-UHFFFAOYSA-N	304.799	1.854	50	20	DDGD	
CC[C@H](OC1CCCCC1)C(=O)NNc1nccn(C)c1=O	133739181	QVCAMRBVWXYRLQ-LBPRGKRZSA-N	308.382	1.351	50	20	DDGD	
CC(C)C[C@H](C(=O)NNc1cnccn1)N1CCCCC1=O	88377545	RHJRVYQRZWBFRO-GFCCVEGCSA-N	305.382	1.347	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc3[nH]cnc3c2)nc1	133599330	JSKXMZHINODRMY-UHFFFAOYSA-N	311.301	1.501	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(-c2ccc(C)cc2)n[nH]1	192076249	MAOVCGDTOSTSGC-UHFFFAOYSA-N	310.357	1.950	50	20	DDGD	
COc1cc(C(=O)NN=Cc2ccccn2)cc(OC)c1OC	254896095	BQJMXOLPDNLAPN-UHFFFAOYSA-N	315.329	1.871	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NN=C1CCn2cccc21	254804611	XKTIQLQQRDAYJI-UHFFFAOYSA-N	314.301	1.699	50	20	DDGD	
C[C@@H]1CC/C(=C\C(=O)NNC(=O)CNC(=O)c2cccs2)C1	267834300	FFZJKSMEQQPDBS-MXBGMFSPSA-N	321.402	1.372	50	20	DDGD	
C[C@@H]1OCCN(C(=O)NNC(=O)COCc2ccccc2)[C@@H]1C	268864830	IWFGHVPQBYDYAJ-OLZOCXBDSA-N	321.377	1.053	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCC(=O)OC(C)(C)C)o1	267788873	XRIVGMFTTPTUOZ-UHFFFAOYSA-N	311.338	1.264	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)C(F)(F)C(F)F	267183979	IMNLTMBXUGLKAI-UHFFFAOYSA-N	312.194	1.252	50	20	DDGD	
C[C@@]1(NNC(=O)Nc2cc(F)cc(F)c2)CCS(=O)(=O)C1	268869807	UZMLMOFWMOQNEE-GFCCVEGCSA-N	319.333	1.168	50	20	DDGD	
O=S(=O)(CBr)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1	368086104	VXTVMDIVGOHXFS-UWVGGRQHSA-N	324.240	1.702	50	20	DDGD	
CC(C)(C)OC(=O)CCC(=O)NNC(=O)NCc1ccco1	278110474	RATFJSLGVDAGDY-UHFFFAOYSA-N	311.338	1.232	50	20	DDGD	
CCCN(CC)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	270788741	QVULXFMPTPJZKZ-UHFFFAOYSA-N	308.338	1.088	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1c(F)cccc1F	272367882	RFYUMFVATPNJNT-MRVPVSSYSA-N	317.292	1.169	50	20	DDGD	
CCSc1cccc(NC(=O)C(=O)NNC(=O)[C@H](C)CC)c1	274082530	REAHVAUDMKMMMG-SNVBAGLBSA-N	323.418	1.931	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2CCCN2C2CCCC2)n1	279763276	FXYAAFRHMPZHDB-OAHLLOKOSA-N	316.405	1.558	50	20	DDGD	
COCCOC(=O)Nc1cccc(NC(=O)NNC(C)=O)c1	273188762	IQQCDOVLQBCTOU-UHFFFAOYSA-N	310.310	1.054	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)CC2CC2)ccc1NC(C)=O	273525822	XSGSVPMPSXXNQI-UHFFFAOYSA-N	320.349	1.606	50	20	DDGD	
C[C@@H]1CCC[C@H]1CC(=O)NNc1nc(O)c2cnn(C)c2n1	274411219	IYIFJWDUDIIHAO-BDAKNGLRSA-N	304.354	1.338	50	20	DDGD	
COCC[C@@H](NC(=O)NNC(=O)C1CCC1)c1ccc(C)o1	272357488	ROWDMHWPOSVAIO-GFCCVEGCSA-N	309.366	1.796	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2c(C)noc2C(C)C)n1	279788127	JYFQROVWUWSGQC-UHFFFAOYSA-N	302.334	1.885	50	20	DDGD	
CCCc1nnc(NC(=O)NNC(=O)c2cccnc2)s1	273396515	HOUGKHBVEIUDLG-UHFFFAOYSA-N	306.351	1.352	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1C1CC1)c1ccc(Cl)cc1O	278679583	KUKJLBMDYKELAY-GFCCVEGCSA-N	323.780	1.433	50	20	DDGD	
Cn1ncc2c1C[C@@H](C(=O)NNc1c(F)cccc1F)CC2	282691920	JTTSXZGAXHXYAQ-VIFPVBQESA-N	306.316	1.947	50	20	DDGD	
O=C(NNc1ccc(F)cc1)C(=O)Nc1cc2n(n1)CCCC2	288327947	ZIGFVFBWQOKTNX-UHFFFAOYSA-N	317.324	1.440	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCC2(O)CCC2)c1	287653440	AWXXPLQVLYNLSC-UHFFFAOYSA-N	307.350	1.404	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCCC1(O)CCC1	285090748	WDYNLSGLZPGBIE-UHFFFAOYSA-N	309.341	1.004	50	20	DDGD	
COC(=O)N(C)NC(=O)Cn1c(CSC)nc2ccccc21	285772462	AHNBDBQKVIYFJZ-UHFFFAOYSA-N	322.390	1.629	50	20	DDGD	
CCOC1CC(C(=O)NNc2nc(-c3ccccc3)no2)C1	289097217	MPSSJTBFQGKWTJ-UHFFFAOYSA-N	302.334	1.995	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H](c1ccccc1)N(C)CC	281386450	XOAXTSYHHVEDFH-ZDUSSCGKSA-N	306.435	1.361	50	20	DDGD	
COc1ccccc1OCCC(=O)NNC(=O)[C@H]1CCCCO1	295751724	OYFIXMBZLMFFKZ-CQSZACIVSA-N	322.361	1.181	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)C(=O)NC)cc1	294719520	SIRPUWSIHOOADJ-GJSJWPQCSA-N	301.346	1.243	50	20	DDGD	
CC[S@@](=O)CC(=O)NNc1ccccc1OC(F)(F)F	295697544	IXMODZGLPHLVHB-HXUWFJFHSA-N	310.297	1.797	50	20	DDGD	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1cccc(NC(C)=O)c1	293847350	FZAFPIVRMIFTOL-QWHCGFSZSA-N	305.334	1.287	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ncc(F)cc1F	296779097	ACNALYCPKJDFNG-SSDOTTSWSA-N	316.308	1.716	50	20	DDGD	
C=C(CBr)CN(C)CCCN(C)CCN(C)C	808781731	NUMLQRQMHGLMFY-UHFFFAOYSA-N	306.292	1.753	50	20	DDGD	
Cc1noc(Cl)c1CCC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	293932507	OHKRJKISNPTGJO-XVKPBYJWSA-N	315.757	1.284	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cncnc1-c1ccccc1	294766539	XTQVQIVYWPZLPL-ZDUSSCGKSA-N	312.329	1.084	50	20	DDGD	
CCc1[nH]c(C(=O)NNC(=O)CC2CC2)c(C)c1C(=O)OC	294046472	FJVSDUNCVYBJHG-UHFFFAOYSA-N	307.350	1.233	50	20	DDGD	
C[C@@](O)(CCc1ccccc1)C(=O)NNc1ncncc1Cl	801217245	MAGRPVCYAJGKRZ-OAHLLOKOSA-N	320.780	1.957	50	20	DDGD	
CCc1csc(NC(=O)C(=O)NNc2cccc(F)n2)n1	807392226	VKEGEEZKYJYNCP-UHFFFAOYSA-N	309.326	1.321	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1cccnc1F	806775293	VLDHCZLECSHUCS-UHFFFAOYSA-N	300.253	1.423	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(F)c(CC)c1	807014913	OVZTVAXSYVNHAW-UHFFFAOYSA-N	310.329	1.019	50	20	DDGD	
Cc1nsc(NC2CC2)c1C(=O)NNC(=O)c1cccnc1	292386775	VDJIDFJHEAGNED-UHFFFAOYSA-N	317.374	1.496	50	20	DDGD	
O=C(C[C@H]1CCCC(=O)N1)NNc1ccc(C(F)(F)F)cn1	290459683	MXRFRZLEOQAAID-SECBINFHSA-N	316.283	1.602	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NN=c1sc2ccccc2n1C	806274260	GDFSINBVMADUDR-UHFFFAOYSA-N	314.370	1.393	50	20	DDGD	
O=C(NC[C@@H]1CCCCC1(F)F)NNC(=O)c1ccc[nH]1	297663413	OOEFLNDRHZYTLN-VIFPVBQESA-N	300.309	1.784	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC12OCCO2	807117910	AJLSJEXTKFRZLF-LBPRGKRZSA-N	307.306	1.581	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N=c2cc[nH]cc2)ccc1[N+](=O)[O-]	802026694	VGYKGJLWPUKMAF-UHFFFAOYSA-N	315.289	1.187	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)c1conc1C1CC1	290117194	YFYYCZFAMGXWPJ-UHFFFAOYSA-N	319.292	1.531	50	20	DDGD	
Cn1cc(CCC(=O)NNC(=O)Nc2cc(F)cc(F)c2)cn1	801999606	ARIIDSHWWPQPAZ-UHFFFAOYSA-N	323.303	1.484	50	20	DDGD	
CSCC(C)(C)C(=O)NNC(=O)CCc1ccccc1O	800690752	LCYYINKERGYSPL-UHFFFAOYSA-N	310.419	1.861	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2cnc3ccccc3n2)c[nH]1	816114634	LSENTQAYQZIKLU-UHFFFAOYSA-N	311.301	1.501	50	20	DDGD	
O=C(CCCc1ccccc1)NCCNS(=O)(=O)CCl	819896202	YJODGBDEJITQLL-UHFFFAOYSA-N	318.826	1.241	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)c1cccc(OC)c1O	812479743	PXWCBNBBUVUFRK-ZJUUUORDSA-N	310.350	1.080	50	20	DDGD	
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NNc1nc[nH]n1	816634047	WUVSELRRVZVNPA-LBPRGKRZSA-N	300.322	1.223	50	20	DDGD	
COc1ccc(CNC(=O)NNc2ccc(F)cn2)c(OC)n1	811972289	NFFAFEHSEXJSPF-UHFFFAOYSA-N	321.312	1.459	50	20	DDGD	
COc1ccnc(NNC(=O)NCC[C@]2(O)C[C@H]3CC[C@H]2C3)n1	813786494	KQENPTFOYRTYJI-PGUXBMHVSA-N	321.381	1.053	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)CCOc1ccccc1)n1cccn1	819196598	IHCROIRHGITMDF-CYBMUJFWSA-N	316.361	1.451	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNc1ccc2c(=O)[nH]ccc2c1	812563498	HEJUXEFNIOVCOE-GHMZBOCLSA-N	303.362	1.890	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCCCC1(O)CCC1	817173497	NJHIUXCGARDSNI-UHFFFAOYSA-N	323.368	1.394	50	20	DDGD	
CCOC(=O)[C@@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(C)(C)C	826962236	ZLYIWNONNOHFTG-FFXRNRBCSA-N	318.377	1.421	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H](C)C1CN(C(=O)OC(C)(C)C)C1	496895530	XTDVKIHXJJORMZ-SNVBAGLBSA-N	313.398	1.293	50	20	DDGD	
COCCC1(C(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1	826155723	ZMGLHBMNNBFIRO-UHFFFAOYSA-N	302.338	1.127	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cccc2c1CCOC2	823369257	VRLFBTOOUNTORR-UHFFFAOYSA-N	302.252	1.473	50	20	DDGD	
CC(=O)NNC(=O)CCSc1ncnc2sc(C)c(C)c12	822164512	YUQBLIXHBLWWFG-UHFFFAOYSA-N	324.431	1.958	50	20	DDGD	
C[C@@]1(C(=O)NNc2ccc(C(F)(F)F)cc2)CCNC1=O	821158517	LFWWHTONAGTXOR-GFCCVEGCSA-N	301.268	1.675	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(-c2ccccc2Cl)on1	823970132	CEKVPGUAUXNOLH-VIFPVBQESA-N	309.753	1.952	50	20	DDGD	
O=C(/C=C\c1ccccc1)NNC(=O)COc1ccccc1O	491559877	BYHUZHMRMJYUCW-KHPPLWFESA-N	312.325	1.632	50	20	DDGD	
O=C(CCCC(=O)C1CC1)NNC(=O)c1ccc(Cl)nc1	822561912	NKNRYLKAMFOLRH-UHFFFAOYSA-N	309.753	1.645	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNc1ccc(-c2nn[nH]n2)cc1	826339111	RMTIXKWZKSCFEB-UHFFFAOYSA-N	313.321	1.157	50	20	DDGD	
C[C@H]1CCCC1=NNC(=O)c1csc(N2CCOCC2)n1	729144332	UBPRJRZLBDLHFR-JTQLQIEISA-N	308.407	1.886	50	20	DDGD	
C=CCCOCC(=O)NNC(=O)c1cccc(OC(F)F)c1	728487701	YUQDFUYENKCFFU-UHFFFAOYSA-N	314.288	1.642	50	20	DDGD	
CN(NC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F)C1CC1	497098954	MLWKOMYSCSDUHL-VIFPVBQESA-N	309.288	1.275	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H]1CCc2ccc(O)cc21	822672782	VQNJKCKBJVEDMJ-BHYNMZESSA-N	319.361	1.135	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@@](C)(C(=O)OC)c1ccccc1	490695186	MGCOSCIYVPMTKB-QAAVPBIRSA-N	316.357	1.677	50	20	DDGD	
CO[C@@H](C)CCNC(=O)NNC(=O)Cn1ccc2ccccc21	729503486	UKMHFRUHGCMBRM-LBPRGKRZSA-N	318.377	1.397	50	20	DDGD	
C[C@@H]1OC(=O)N[C@H]1C(=O)NNc1ncc(Cl)cc1Cl	496330385	RUFQDJDBOXGSGZ-MHTLYPKNSA-N	305.121	1.328	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)NOCC1CCC1	824037810	BWEPJOZCZNFDID-UHFFFAOYSA-N	307.350	1.518	50	20	DDGD	
O=C(NNc1ccncn1)c1ccc(CN2CCCCC2)o1	821115266	JQKSPUYTPZDUSH-UHFFFAOYSA-N	301.350	1.812	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCOC1CCCCC1	825872377	CPGXLMQPLHPDGW-DGCLKSJQSA-N	313.398	1.091	50	20	DDGD	
C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(B(O)O)cc1	584947438	PVRDQQCMUPVREV-CZUORRHYSA-N	309.174	1.385	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@H](C)c1cccc(-c2nn[nH]n2)c1	821314753	NFCCXYANLDVVBB-QQMDNXKGSA-N	312.333	1.488	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cc(-c2ccco2)[nH]n1	727869561	ZKGRIQOZAUHWLU-UHFFFAOYSA-N	319.390	1.579	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)NCC2CCC2)cc1F	727869434	UKHDFNJCUARHEI-UHFFFAOYSA-N	311.382	1.743	50	20	DDGD	
Cc1cn(-c2c(F)cccc2F)nc1C(=O)NN(C)[C@@H](C)CO	823935371	QMUFCQNGRFPRQR-JTQLQIEISA-N	324.331	1.416	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(OC)c(C(C)C)c(OC)c1	823873336	ACAQWIPTNIOTIJ-UHFFFAOYSA-N	310.394	1.786	50	20	DDGD	
CNC(=O)c1cccc(NC(=O)NNC(=O)OC(C)(C)C)c1C	495443064	OTGBQJPBIHYPHU-UHFFFAOYSA-N	322.365	1.916	50	20	DDGD	
CC(Cc1ccncc1)=NNC(=O)c1cccc(-c2nn[nH]n2)c1	820299632	HWXMZNPIHNFKGJ-UHFFFAOYSA-N	321.344	1.610	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=S)NCC1CCC1	727270226	DNMZJWBECDPSKB-UHFFFAOYSA-N	317.418	1.332	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1ccc(C(=O)O)cc1C	905483351	HJZQZLWUKCWYMY-SMDDNHRTSA-N	304.346	1.958	50	20	DDGD	
Cc1ccccc1CC(=O)NN=Cc1ccc(-c2nn[nH]n2)o1	822350107	AKQKFOXKTXZJJU-UHFFFAOYSA-N	310.317	1.461	50	20	DDGD	
CN(C)CC1(C(=O)NNc2cccc(Br)n2)CC1	823479361	GQKMXMHLGJQFRT-UHFFFAOYSA-N	313.199	1.629	50	20	DDGD	
COc1cc([C@@H](C)NCc2ccc(B(O)O)cc2)ccc1F	585031286	CEIQBNQCRHTYQN-LLVKDONJSA-N	303.142	1.365	50	20	DDGD	
C=CCNC(=S)NNC(=O)/C=C/c1ccc2[nH]ccc2c1	492338628	AICDMGDPNORGTR-GQCTYLIASA-N	300.387	1.862	50	20	DDGD	
COCC[C@@H](C=NNC(=O)C(C)C)NC(=O)OC(C)(C)C	496040893	KZPJYWNBGNTCCC-NSHDSACASA-N	301.387	1.674	50	20	DDGD	
CCC(=NNC(=O)c1ncon1)c1ccc(OC)c(OC)c1	901285981	OUXJSDGLIPSGFS-UHFFFAOYSA-N	304.306	1.631	50	20	DDGD	
O=C(NNc1cnccn1)c1cccn(Cc2ccccc2)c1=O	734243858	DCCUKMAJPGMACE-UHFFFAOYSA-N	321.340	1.444	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cccc(OC[C@@H]2CCCO2)c1	823976488	DYFQPESEYKWWRA-WFASDCNBSA-N	308.378	1.202	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C\c1cccc(-n2cccn2)c1	490724834	BNWHZSVUYMJNFM-MLJKTZRHSA-N	310.357	1.930	50	20	DDGD	
OB(O)c1ccc(CNCC2(Sc3ccccc3)CC2)cc1	585020431	XEWXIPBDNWDCOS-UHFFFAOYSA-N	313.231	1.781	50	20	DDGD	
O=C(NN=C1CCC(O)(C(F)(F)F)CC1)N1CCOCC1	734748925	ZNQYMLGSJOPSSB-UHFFFAOYSA-N	309.288	1.252	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC(n2ccnn2)CC1	490905713	AGCIINXFCRGLHB-KAMYIIQDSA-N	323.356	1.754	50	20	DDGD	
CCC(CC)CN(CCC#N)C(=O)c1cccc(B(O)O)c1	584941744	FWBKIKDNPVDLGB-UHFFFAOYSA-N	302.183	1.158	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)NCCCS(C)(=O)=O	838465055	FJBZENNSLLTSBE-UHFFFAOYSA-N	319.814	1.709	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CN(C)C)[nH]c2c(Cl)cccc12	839638392	IITBYTOBWIYFDX-UHFFFAOYSA-N	308.769	1.452	50	20	DDGD	
CC(C)(C)n1nc(C(=O)N2CC[C@@H](B(O)O)C2)cc1C1CC1	585077734	UGPZJYITEBMKOT-LLVKDONJSA-N	305.187	1.204	50	20	DDGD	
CCCNC(=O)NN=Cc1ccc(OC(F)(F)C(=O)O)cc1	730727844	AGDMUHDETIZVHG-UHFFFAOYSA-N	315.276	1.786	50	20	DDGD	
CC(C)COC(=O)[C@H](C)NC(=O)[C@]1(C)C[C@@H]1Br	907166602	LEWPXHLTVCOSDS-HOTUBEGUSA-N	306.200	1.864	50	20	DDGD	
CC[C@@H](COc1ccccc1F)NCc1ccc(B(O)O)o1	585023032	FOEDLORBDWSJLQ-NSHDSACASA-N	307.130	1.046	50	20	DDGD	
CC/C=C\CNC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836574163	VSRLROQMYOTDCZ-ARJAWSKDSA-N	306.322	1.717	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=C2C[C@@H](C)O[C@H]2C)n1	834920661	MUHHJYUNHRLIAF-MNOVXSKESA-N	308.407	1.855	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1ccc(C(=O)O)s1	736251026	LTDAYSCMQLVRKQ-UHFFFAOYSA-N	320.392	1.192	50	20	DDGD	
CC[C@H](CN1CCCC1)NC(=O)NNc1ncc(F)cc1F	838517264	GGTDZALAMIHRGZ-LLVKDONJSA-N	313.352	1.860	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OC[C@H]1CCNC(=O)CC1	837562851	SBBKAPUPOGJSFM-OZYJXZHSSA-N	314.341	1.759	50	20	DDGD	
C[C@@]1(C(=O)NCc2ncc3c(n2)CCC3)C[C@H]1Br	909682732	XWYGQCOVQULSAX-ZWNOBZJWSA-N	310.195	1.755	50	20	DDGD	
CC(C)[C@H](NC(=O)O)C(=O)NNC(=O)c1c[nH]c2ccccc12	736375339	NZZUXEADTUHQMF-LBPRGKRZSA-N	318.333	1.221	50	20	DDGD	
Cc1[nH]c(C(=O)NNC(=O)Cc2ccsc2)c(C)c1C(=O)O	738155081	BDMMWKBCWJWIJX-UHFFFAOYSA-N	321.358	1.395	50	20	DDGD	
COCC(=O)NN[C@@H](C(=O)O)c1cc(Cl)cc(Cl)c1	831541307	SFWZRNYGIHJVSK-SNVBAGLBSA-N	307.133	1.386	50	20	DDGD	
C[C@@H](c1ccco1)N(C(=O)c1ccc(B(O)O)c(F)c1)C1CC1	584935001	WJSHXUDFWNMSHM-JTQLQIEISA-N	317.125	1.464	50	20	DDGD	
Cc1cnn(CCC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)c1	738812742	VOMWUSUQCBLQQY-UHFFFAOYSA-N	319.273	1.794	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H]1CSc2ccccc21	735654241	IFKMPJKHAOTQEV-LLVKDONJSA-N	309.391	1.243	50	20	DDGD	
CC(=O)N[C@@H](CCC(C)C)C(=O)NN=c1cc[nH]cc1Cl	832243879	YPGZFAVYGNURGF-ZDUSSCGKSA-N	312.801	1.541	50	20	DDGD	
COc1ccc(OCC(=O)NN=C2CCN(OC)CC2)cc1	834923126	YMHLIOMLSJIORZ-UHFFFAOYSA-N	307.350	1.203	50	20	DDGD	
CC(C)[C@H](C(=O)NN(C)[C@H](C)CO)N1Cc2ccccc2C1=O	911445534	XNAVSCGNXPZLNM-IUODEOHRSA-N	319.405	1.011	50	20	DDGD	
COC(=O)[C@@H]1CN(C(=O)[C@@]2(C)C[C@H]2Br)C[C@H]1C	911420686	VUYUWFLNAIBYBC-HNBLOZHYSA-N	304.184	1.427	50	20	DDGD	
O=C(COc1ccc(CO)cc1)NNC(=O)c1ccccc1	916620736	ZFAOXCMGAOUHRT-UHFFFAOYSA-N	300.314	1.019	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)CCc2ccccc2O)[nH]1	747631516	PJUIOTITCBJKID-UHFFFAOYSA-N	315.329	1.590	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccc(Br)s1	744817049	FDVAWDQHYAWQSA-UHFFFAOYSA-N	318.196	1.485	50	20	DDGD	
CCOc1ccc(OC(C)(C)C(=O)NNC(=O)NC(C)C)cc1	745139465	IGRAENUNKBMOAM-UHFFFAOYSA-N	323.393	1.982	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cccc(SC)n1	843846229	PGPMGHFKVYFLFY-UHFFFAOYSA-N	316.477	1.275	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cccc3cnccc23)n1	745997984	GUCRTFVLWITAGW-UHFFFAOYSA-N	308.345	1.848	50	20	DDGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)N[C@H]1CCNC1	841942105	WHACAMSJQAAQAI-ZETCQYMHSA-N	317.176	1.299	50	20	DDGD	
Cn1ccc(CNC(=O)NNC(=O)COc2ccccc2F)c1	747956028	SBCSJVFIZFBNMH-UHFFFAOYSA-N	320.324	1.074	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@@H]1CCc2cncn2C1	844137175	JSXGEHMUHBJYDK-SECBINFHSA-N	314.374	1.594	50	20	DDGD	
Cc1ccc(Br)cc1C(=O)NN(C)C[C@@H](C)O	910164453	ZQPZFBMSCLDWCB-SECBINFHSA-N	301.184	1.715	50	20	DDGD	
CCOc1cccc(C=NNC(=O)NCC(F)(F)F)c1O	917553272	HKOMYFOHASBWCS-UHFFFAOYSA-N	305.256	1.986	50	20	DDGD	
O=C1C[C@H](CNC(=O)NNc2cc(Cl)cc(Cl)c2)CN1	840395022	HBTUDXNZQKTTGL-ZETCQYMHSA-N	317.176	1.756	50	20	DDGD	
CCOC(=O)c1cc(/C=C(\C#N)C(=O)NC2CCCCC2)[nH]n1	843264615	JXBYPXNEERPJOB-DHZHZOJOSA-N	316.361	1.942	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCCNc2ccccn2)cc1	747299454	MXRBFPQBDYHEOJ-UHFFFAOYSA-N	324.344	1.009	50	20	DDGD	
C[C@H]1CC[C@H](C)N1CC(=O)NNC(=O)c1c[nH]c2ccccc12	746101233	STKDNLGVOMUPKZ-RYUDHWBXSA-N	314.389	1.802	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c(C)[nH]1	914752960	LKPCJLWMPTVQOB-UHFFFAOYSA-N	315.329	1.478	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)NCC1CC1)N1CCc2ccccc21	847391447	ZIVBAAQDFPMIGC-GFCCVEGCSA-N	316.405	1.568	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cccc2c1OCCCO2	844553456	SYSNUFZNHHYAMK-CYBMUJFWSA-N	320.345	1.178	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H](C)Cc1cncc2ccccc12	910147052	IUXMHLLZQHFLDS-STQMWFEESA-N	301.390	1.757	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H](C)[C@](C)(OC)C2CC2)n1	840422514	CLGRSTYWKWJWET-BONVTDFDSA-N	323.397	1.623	50	20	DDGD	
C[C@@H]1[C@@H](CO)CCCN1C(=O)NNC(=O)c1ccc(C#N)cc1	841580011	FGLRYSJONUYXGQ-BXUZGUMPSA-N	316.361	1.005	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc(Cl)c1F	843653636	NYBNKPJUTKKONI-JGVFFNPUSA-N	300.717	1.665	50	20	DDGD	
CCS[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ncccn1	841579574	NMNBVNFYJZMBSM-WDEREUQCSA-N	323.422	1.485	50	20	DDGD	
CCCOc1cc(C)ccc1NC(=O)NNC(=O)CCCN	841059784	WYSDQCBFCXZOMY-UHFFFAOYSA-N	308.382	1.675	50	20	DDGD	
COC[C@@H](CNC(=O)NNc1ccc(Cl)cc1F)OC	921876331	UERWZBUYRZUMIC-SECBINFHSA-N	305.737	1.767	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc2nnc(C)n2c1	749404286	YSYCNSDLFMOHDD-UHFFFAOYSA-N	309.329	1.421	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C[C@@H](C)n2ccnc2)cc1	920519128	GLFQJUFGOIADMX-GFCCVEGCSA-N	300.362	1.858	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)c2cccnc2)cnn1CC(C)C	757802656	ZHNJSXMYFQJPLR-UHFFFAOYSA-N	316.365	1.709	50	20	DDGD	
CC1(C)C(=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)[C@H]2CCCO[C@H]21	853388479	INYNBBPIKWACAZ-GUIRCDHDSA-N	321.421	1.157	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@]2(C)CCOC2)c1C	754358833	PBFAKBYFBTTYNJ-SUMWQHHRSA-N	320.389	1.645	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)Cn1cc([C@H](C)O)nn1	928340282	PLNQKVFTUCXWRO-VIFPVBQESA-N	309.757	1.437	50	20	DDGD	
O=C(Cc1ccccc1CO)NNC(=S)NCC1CCC1	855089311	MDAIGEXOOWHBRS-UHFFFAOYSA-N	307.419	1.017	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccn(CC(F)F)n2)o1	756868897	YUKAGDFEORVWII-UHFFFAOYSA-N	313.264	1.516	50	20	DDGD	
Cc1nnsc1CNC(=O)NC[C@@]1(C)C[C@H]1Br	856859365	OACCQQMSIDJLJP-PSASIEDQSA-N	319.228	1.819	50	20	DDGD	
CN(C[C@@H]1CCOC1)C(=O)NC[C@@]1(C)C[C@@H]1Br	856898481	BDDRNRQSFBBVTF-JBLDHEPKSA-N	305.216	1.838	50	20	DDGD	
COC(C)(C)CN(C)CC(=O)NNC(=O)c1cccc(C)c1	758815485	IWRHRZHZBYYWLU-UHFFFAOYSA-N	307.394	1.113	50	20	DDGD	
COC1CCN(C(=O)NC[C@@]2(C)C[C@@H]2Br)CC1	856755272	TWXPZSHGKAKBGB-CMPLNLGQSA-N	305.216	1.980	50	20	DDGD	
C#C[C@H](CC)NC(=O)NNC(=O)CSc1ccccc1OC	854074625	RKASEGWTENZTMT-LLVKDONJSA-N	321.402	1.530	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)Cn2cncn2)cc1OC	853259496	GULKXBDVPCWZSI-UHFFFAOYSA-N	303.322	1.101	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)[C@@H]1COCCN1CC(F)F	855465650	ULEWCXCHYKTZTM-VIFPVBQESA-N	320.727	1.144	50	20	DDGD	
CO[C@@H](C=NNC(=O)C(=O)Nc1ccc(C)c(C)c1)C1CC1	853281003	TXSGNXSRDBHXGE-AWEZNQCLSA-N	303.362	1.769	50	20	DDGD	
Cc1ccc(C(C)(C)CNS(=O)(=O)CBr)nc1	859299707	BDYYKIWLRSPUFH-UHFFFAOYSA-N	321.240	1.939	50	20	DDGD	
C[C@H](NC(=O)NNc1ncc(Cl)cn1)C(C)(C)CN(C)C	856877864	WPTNMYNXSRBTKJ-VIFPVBQESA-N	314.821	1.732	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC[C@@H](C)OC)c1C	853641284	JJZUVWAQNWFSEH-SNVBAGLBSA-N	309.366	1.833	50	20	DDGD	
C[C@]1(CNC(=O)N2C[C@@H]3C[C@]3(CO)C2)C[C@H]1Br	856956182	VHWWOQZPWDJAGJ-LUTQBAROSA-N	303.200	1.184	50	20	DDGD	
O=C(NCC1CC1)NN=C1CS(=O)(=O)Cc2ccccc21	853295474	LPRSNCSZPWHUPN-UHFFFAOYSA-N	307.375	1.028	50	20	DDGD	
Cc1nc(C=NNC(=O)NCCNC(=O)OC(C)(C)C)[nH]c1C	853308524	MNQGXIYXUHHUIK-UHFFFAOYSA-N	324.385	1.184	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CC[C@H](O)CC2)c1C	853897561	KXUHHTJBJOWBCC-HAQNSBGRSA-N	321.377	1.711	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCC[C@H](CC#N)C2)n1	852293223	KSAXIHVRBNWLHT-GFCCVEGCSA-N	301.350	1.370	50	20	DDGD	
CCC[C@H](NC(=O)NNC(=O)c1cn[nH]c1)c1ccccc1	858121724	FWKMIARQDMUORF-ZDUSSCGKSA-N	301.350	1.895	50	20	DDGD	
CNC(=O)CCCCC(=O)NC[C@]1(C)C[C@H]1Br	857390948	JESCILKSPSDGSR-SKDRFNHKSA-N	305.216	1.583	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)[C@H]1CSCCS1	751058584	HFDONELCEITCCE-LLVKDONJSA-N	311.432	1.095	50	20	DDGD	
Cc1cccc(C)c1C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	755665300	UZXALJAWKOYDRQ-GFCCVEGCSA-N	309.391	1.124	50	20	DDGD	
COc1ncc(C(=O)NC[C@@]2(C)C[C@H]2Br)cn1	857399488	WIXMSGIKJWTNQX-LDYMZIIASA-N	300.156	1.389	50	20	DDGD	
COc1cc(C)c(C=NNC(=O)c2c[nH]nc2C)cc1OC	751528276	CQUPQPBXZLSFRU-UHFFFAOYSA-N	302.334	1.808	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)c1ccc(N)cc1	750947675	IGRIIRUGSSNSAN-UHFFFAOYSA-N	316.386	1.601	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccc(-c2ccco2)s1	869907833	FVEMAWPGIVOFBD-UHFFFAOYSA-N	324.358	1.432	50	20	DDGD	
CC(=NNC(=O)CS(C)(=O)=O)C12CC3CC(CC(C3)C1)C2	863188847	PNYIDJWHTDTJOV-UHFFFAOYSA-N	312.435	1.740	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1cccc2[nH]ccc12	868736085	LKXLXJDMYZUMMN-PWSUYJOCSA-N	316.361	1.423	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cn2nccc2C)c1C	862185179	VWWRPYILMNFBDM-UHFFFAOYSA-N	302.334	1.430	50	20	DDGD	
COc1nccnc1NNC(=O)CSCc1ccncc1	764481111	GOBNSSRMLPCMNZ-UHFFFAOYSA-N	305.363	1.257	50	20	DDGD	
O=C(CN1CCCC1=O)NNc1nc2ccccc2[nH]c1=S	862291469	JWXKPYDPPNMCLT-UHFFFAOYSA-N	317.374	1.358	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12)C1CCCC1	930134873	WQHVRQPCQHLBAN-PXAZEXFGSA-N	313.357	1.234	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccc([N+](=O)[O-])cn2)o1	762172120	LEIQJTULOODUNY-UHFFFAOYSA-N	316.277	1.730	50	20	DDGD	
O=C(NN=Cc1cc(F)ccc1O)[C@@H]1COc2ccccc2O1	866016632	QMCBFIZBGXJOML-HNNXBMFYSA-N	316.288	1.821	50	20	DDGD	
COC[C@H](NC(=O)[C@H](Br)C(C)(C)C)C(=O)OC	768391502	WRFKHWJRPKTDJY-YUMQZZPRSA-N	310.188	1.100	50	20	DDGD	
COC[C@@H]1CCCN1NC(=O)/C(C#N)=C\c1ccc(O)cc1	862594040	UAPQJPWQQHQTDN-XXYUJHKVSA-N	301.346	1.441	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@]12CCOC2)c1cc2c(s1)CCC2	763723983	UQPPSOQHUXXNJF-MEBBXXQBSA-N	306.387	1.424	50	20	DDGD	
CC1(NS(=O)(=O)c2ccc(CCCCl)cc2)COC1	867631902	SYUJNJSVWRQBEE-UHFFFAOYSA-N	303.811	1.925	50	20	DDGD	
CCCCCNC(=O)/C(C#N)=C\c1cn(C[C@H]2CCCO2)nn1	865216050	CJGUZYYNPNGGNJ-UZGISAJGSA-N	317.393	1.670	50	20	DDGD	
CC(=NNC(=O)CS(C)(=O)=O)c1cnc2ccsc2c1	863190057	YXHGNSKNWWTECD-UHFFFAOYSA-N	311.388	1.181	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@H]1CCC(=O)N1)c1cccc(Cl)c1	862455721	QDLKBAOOQYCPDK-LLVKDONJSA-N	323.780	1.044	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)C[C@H]1CCC(=O)N1C	862289584	RQSNZILALNWNLM-CYBMUJFWSA-N	319.361	1.297	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2O)on1	768710349	QUQAOWVIPKOFSY-UHFFFAOYSA-N	311.681	1.117	50	20	DDGD	
CCOc1cnc(C(=O)NNCC(F)(F)C(F)(F)F)cn1	863101185	MDZVBBSMDMYSGD-UHFFFAOYSA-N	314.214	1.307	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C2(OC)CCC2)c1	874950573	SWXLHVTVIVWVAC-UHFFFAOYSA-N	303.387	1.555	50	20	DDGD	
COCCOCC(=O)NN=Cc1cn2cc(Cl)ccc2n1	872402407	CXNAZIGJCSEBKI-UHFFFAOYSA-N	310.741	1.101	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2CCC(=O)NC2)cc1C	873764382	BYQPQBORUCSHNZ-NSHDSACASA-N	320.418	1.147	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1C[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C	870396773	PLVVSZGNNWOXMD-ZWRVYWDGSA-N	323.393	1.944	50	20	DDGD	
CCC(=O)NN=Cc1ccc(OCCN2CCOCC2)cc1	872328246	QCADSVZSCOIHRV-UHFFFAOYSA-N	305.378	1.258	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](F)Cc1ccccc1	777984828	ZRTBKACYDVIFAY-CYBMUJFWSA-N	323.368	1.019	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CCn2ccnn2)c1	873755282	WQFGONRFCFNQLX-UHFFFAOYSA-N	318.406	1.303	50	20	DDGD	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NNC(=O)CCO	1116635644	GQIHJXYMUMNBES-JTQLQIEISA-N	322.390	1.616	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@]12CCC(=O)N1CCS2	772860853	VQPCTOUJFYXFTB-CQSZACIVSA-N	321.406	1.109	50	20	DDGD	
O=C(CO)NN=Cc1nc(-c2ccc(Br)cc2)c[nH]1	776779500	KMZBRDJZKNRHHA-UHFFFAOYSA-N	323.150	1.282	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1c(C)noc1C(F)F	770245622	GODCKHHXOCDXIQ-UHFFFAOYSA-N	324.378	1.393	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cc(C)nc(O)c2)cc1	777273340	BFKYFOXLOZCZJM-UHFFFAOYSA-N	315.329	1.244	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn(C(C)(C)C)c2)cc1O	882048212	ICVWVBCVZZJINQ-UHFFFAOYSA-N	316.361	1.727	50	20	DDGD	
CC(C)CN1CCN(S(=O)(=O)CCCCl)[C@@H](C)C1=O	882089038	NXWSLZWHQPPDMH-NSHDSACASA-N	310.847	1.134	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1cccn1C(C)C	772231170	KNTPYMLFEFXODR-LBPRGKRZSA-N	323.393	1.808	50	20	DDGD	
COCC(=O)NNC(=O)N[C@@H](CCc1ccccc1)C(F)F	881017762	KPSTWGXDNNJNMH-NSHDSACASA-N	315.320	1.230	50	20	DDGD	
CCCOc1c(Cl)cc(C=NNC(=O)CO)cc1OCC	776780302	FIZSDYDESPOWOL-UHFFFAOYSA-N	314.769	1.970	50	20	DDGD	
O=C1CCCC[C@@H]1[C@@H]1COCCN1S(=O)(=O)CCCCl	882065656	LFLKIBAXPWUXPQ-NEPJUHHUSA-N	323.842	1.405	50	20	DDGD	
C[C@@H](OC[C@H]1CCCO1)C(=O)NNc1cc(F)ccc1F	885144619	HCLUVTBUQOSMSF-MWLCHTKSSA-N	300.305	1.992	50	20	DDGD	
CN(C)c1cccc(CNC(=O)NNC(=O)C2CCOCC2)c1	883251551	UCPCRJGCCKLDCC-UHFFFAOYSA-N	320.393	1.010	50	20	DDGD	
CCOC(=O)C1(CNC(=O)NNc2cccnn2)CCCC1	1122092489	QXEYAPDEOIMOMG-UHFFFAOYSA-N	307.354	1.226	50	20	DDGD	
Cc1cnc(NC(=O)C(=O)NNC(=O)c2ccccc2C)s1	782120792	KWXNAWJYHYRDFL-UHFFFAOYSA-N	318.358	1.160	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCC(=O)NCc1cc(F)cc(F)c1	786676735	BOGWELJPJKEXFD-BASWHVEKSA-N	320.295	1.984	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)Cc2cnn(C)c2)c1	788255586	SERVAXVBEJIMBP-UHFFFAOYSA-N	316.365	1.199	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(COC(=O)/C(C#N)=C\C2CC2)o1	786681207	TWEIFIISFSLTQG-XFFZJAGNSA-N	324.358	1.433	50	20	DDGD	
COC(=O)[C@@H](NC(=O)CCCC[C@@H]1CCSS1)[C@@H](C)O	899261271	FPXGUYVKKWOHBP-FOGDFJRCSA-N	321.464	1.739	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(F)cc([N+](=O)[O-])c2)nc1	781517300	WYCNGAPEDMTKOI-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
COc1cccc(NNC(=O)c2cc(F)cc([N+](=O)[O-])c2)n1	780771796	ABWWONSLEAIVQT-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@H](F)C(C)C	784146010	YJRYUIQJKXSCQU-OAHLLOKOSA-N	320.368	1.740	50	20	DDGD	
Cn1ccc2c(NC(=O)C(=O)NNc3ccccn3)cccc21	784798060	LAKFMUJMAUZJTP-UHFFFAOYSA-N	309.329	1.655	50	20	DDGD	
CC1(C)CCN(CCNC(=O)NNc2ccc(Cl)nn2)C1	898597190	FAODNIDLRWYGKC-UHFFFAOYSA-N	312.805	1.488	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(C)n2)cc1	893072486	LZQGXNSHAHBPBY-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1c[nH]cc1C1CC1	899947947	AROOUMGGTRYPKZ-UHFFFAOYSA-N	317.320	1.871	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2c(C)nc3ccnn3c2C)n1	794080754	XJWKTZCPCRWMAH-UHFFFAOYSA-N	324.344	1.124	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)C(=O)Nc1cc(C)n(C)n1	799844444	TXIAGOZMPQUPFT-UHFFFAOYSA-N	315.377	1.681	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1occ2c1CCC2	796579698	UWIBRCDIEKZUQZ-UHFFFAOYSA-N	314.341	1.746	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C(C)(C)C(F)F	792014197	HHCNYUZAJGPXFF-UHFFFAOYSA-N	316.304	1.513	50	20	DDGD	
Cc1c[nH]nc1C(=O)NNC(=O)c1cc2ccccc2cc1O	799831469	JGRUGCJFWKANOR-UHFFFAOYSA-N	310.313	1.652	50	20	DDGD	
Cc1ccc(C(=O)NNc2cc(Cl)nc(N)n2)cc1C#N	799719692	VFHUKXCXSGUWDU-UHFFFAOYSA-N	302.725	1.649	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cc(=O)c(OC)co2)c1	798990918	SEMAJPOMYRFDCS-UHFFFAOYSA-N	318.285	1.192	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1CCC12CCOCC2	799873804	YKGBTQLPCIJULU-CYBMUJFWSA-N	309.410	1.018	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1ccncc1	795177614	OCLCHWSHZNZOIQ-UHFFFAOYSA-N	320.374	1.089	50	20	DDGD	
CCCCCCN(C)CC(=O)NNc1nc2ccccn2n1	791257881	OQLIKFIGKXRNCG-UHFFFAOYSA-N	304.398	1.685	50	20	DDGD	
O=C(COc1cccc(Cl)c1)NNc1nc2ccccn2n1	791242569	SDEAUIIJZDBUGK-UHFFFAOYSA-N	317.736	1.905	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1ccc2c(c1)OCO2	790181257	KKCHOWSDZPJRDD-UHFFFAOYSA-N	304.350	1.096	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1cc(C)c(C)o1	799873058	KEMCGFSPEDDBJY-GFCCVEGCSA-N	307.394	1.705	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41	793825087	PTPMKDDCIGAHMQ-ZJTRZQLUSA-N	315.804	1.994	50	20	DDGD	
Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)CCl)s1	1319675242	XEMZMKZHRGENRZ-SSDOTTSWSA-N	305.812	1.530	50	20	DDGD	
Cc1noc(C)c1NC(=O)C(=O)NNc1cc(Cl)ccn1	1321667656	KOOIELKDETYKBM-UHFFFAOYSA-N	309.713	1.422	50	20	DDGD	
CNC(=S)N(C)NC(=O)CSCc1csc(C)n1	1328342272	ZSVPCERKYYRVPS-UHFFFAOYSA-N	304.466	1.152	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc(OC(F)F)cn1	1324103037	MJOKRLPDKLYLSA-UHFFFAOYSA-N	304.322	1.200	50	20	DDGD	
CC(C)(N)CCNC(=O)NNC(=O)c1cccc2ccccc12	1334241794	QFFPWKAZMSXLGG-UHFFFAOYSA-N	314.389	1.911	50	20	DDGD	
CCOc1nc2sccn2c1C=NNC(=O)C1CCOCC1	1331359765	GCUVWIRFACQLAF-UHFFFAOYSA-N	322.390	1.671	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)C2CCOCC2)cc1F	1333198928	CHPNOHRXAKOJNB-UHFFFAOYSA-N	308.309	1.489	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnc(Cl)cc1C(F)(F)F	1263712897	QYZYYILJGQBDBB-UHFFFAOYSA-N	310.663	1.718	50	20	DDGD	
O=C(Cc1nc(C2CCOCC2)n[nH]1)NNc1ccccc1F	1348139381	DJZPXPFXNQWPBL-UHFFFAOYSA-N	319.340	1.524	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc(-n2cncn2)cc1	1353990983	UJOCZMMDQZWKIF-UHFFFAOYSA-N	302.338	1.466	50	20	DDGD	
CN(CCCF)C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1350492968	FFPUDTMAXTXSSC-GZMMTYOYSA-N	309.179	1.094	50	20	DDGD	
Cn1cc(C=O)cc1C(=O)NNc1cccc(C(=O)O)c1F	1608107273	OHLSVSHKDHKZPE-UHFFFAOYSA-N	305.265	1.432	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(F)c(C(=O)O)c1F	1609901528	PIPIYHNGMQBFEN-LURJTMIESA-N	315.276	1.862	50	20	DDGD	
COc1ccc(NNC(=O)c2coc(-c3nn[nH]n3)c2)cc1	1605301060	GKNOHKSGKVYNND-UHFFFAOYSA-N	300.278	1.225	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)c1cnc2[nH]ncc2c1	1601556883	NNOVITOTIAFVGN-UHFFFAOYSA-N	315.264	1.552	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@]2(C(=O)O)CC[C@@H](C)CC2)cn1	1608110212	ROGJUXAVKWRMMW-LNHWMPMSSA-N	316.361	1.477	50	20	DDGD	
NC(=O)[C@H]1CCC[C@@H](C(=O)NNc2cccc(C(=O)O)c2F)C1	1601145119	OAUJRNKAVUUKIN-DTWKUNHWSA-N	323.324	1.259	50	20	DDGD	
C[C@@H](CC(=O)O)CC(=O)NNc1ccccc1S(C)(=O)=O	1604105946	HJWAJSFKEUORAS-SECBINFHSA-N	314.363	1.034	50	20	DDGD	
C[C@H](Cc1ccc(NC(=O)NN=c2cc[nH]cc2)cc1)C(=O)O	1609756899	SDVHLEHCDZNLAH-LLVKDONJSA-N	314.345	1.915	50	20	DDGD	
Cn1cc(C(=O)O)c(NC(=O)NNc2c(F)cccc2F)n1	1608103868	VYIVQFVIVHBREG-UHFFFAOYSA-N	311.248	1.545	50	20	DDGD	
Cn1cc([N+](=O)[O-])cc1C(=O)NNc1ccc(C(=O)O)c(F)c1	1600970422	GZYYQKLHTXVKNU-UHFFFAOYSA-N	322.252	1.528	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CCCc3n[nH]cc32)nc1	1602384624	IWELEWUIYGMYSB-SECBINFHSA-N	301.306	1.066	50	20	DDGD	
Cn1cc2c(n1)CCC[C@H]2C(=O)NNc1ccccc1C(=O)O	1608123065	LQFVJCVTGCIIQT-SNVBAGLBSA-N	314.345	1.682	50	20	DDGD	
Cc1oc(C(=O)O)cc1C(=O)NNC(=O)NCc1ccccc1	1600826086	HNALJSMBAUVGHT-UHFFFAOYSA-N	317.301	1.430	50	20	DDGD	
O=C(Cc1cncc(O)c1)NNc1ccc(F)c(C(=O)O)c1	1601372054	HGZFCFHLODYIQI-UHFFFAOYSA-N	305.265	1.310	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccc(CC(=O)O)cc2)c(O)c1O	1600341214	SWVYHOVITDJGRV-UHFFFAOYSA-N	316.313	1.790	50	20	DDGD	
O=C(O)c1cc(NNC(=O)C2(C(=O)C3CC3)CC2)ccc1F	1610814503	QEQTWPLZIKGUJC-UHFFFAOYSA-N	306.293	1.726	50	20	DDGD	
COCc1cc(NC(=O)NNC(=O)C2CCC2)cc(C(=O)O)c1	1610270759	QVDXOGFRKAMLFF-UHFFFAOYSA-N	321.333	1.484	50	20	DDGD	
O=C(CC(F)(F)F)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843362938	KUZZMRJKYUQSOD-MRVPVSSYSA-N	316.682	1.677	50	20	DDGD	
C=CC[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2	1845977299	MHBHOHHLXZUONG-RYUDHWBXSA-N	314.813	1.002	50	20	DDGD	
CC[C@H](C(=O)O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	1594755095	ATVWGAKXYLXOGA-UHUJKFBGSA-N	308.378	1.461	50	20	DDGD	
CN(NC(=O)c1cscc1-c1nn[nH]n1)c1ccccc1	1591154277	LJJOCRYWTFYFNL-UHFFFAOYSA-N	300.347	1.709	50	20	DDGD	
CCCN1CCCC[C@H]1C(=O)NNc1ccc(C(=O)O)cn1	1595909356	IHNSXCSEOVTVRT-LBPRGKRZSA-N	306.366	1.487	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)CCc1cnc[nH]1	1599377459	ZWLPJNQRVHVQBV-UHFFFAOYSA-N	304.306	1.192	50	20	DDGD	
C[C@H](CC(=O)O)CC(=O)NN=c1sc2ccccc2n1C	1592391625	NYTJRRXONYAKPW-VIFPVBQESA-N	307.375	1.673	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2(C(=O)O)CCCCC2)nc1	1593882876	DITLQFOCLRGHNM-UHFFFAOYSA-N	321.333	1.346	50	20	DDGD	
O=C(NNC(=O)C1CCCCC1)c1cccc(-c2nn[nH]n2)c1	1593158376	RYBVQHQTLSURMU-UHFFFAOYSA-N	314.349	1.208	50	20	DDGD	
C[C@H]1CCC[C@@H](CNC(=O)NNc2cccc(C(=O)O)c2)O1	1594345680	FOFCIRLNPLDKDC-GWCFXTLKSA-N	307.350	1.969	50	20	DDGD	
CCC[C@H](CCc1ccccc1)NC(=O)NNC(=O)C(=O)O	1595590878	DSXRULIDQMEOEV-GFCCVEGCSA-N	307.350	1.203	50	20	DDGD	
Cn1cc(CCC=NNC(=O)c2cccc(C(=O)O)c2)cn1	1776095550	FNIWASGZQYZTGE-UHFFFAOYSA-N	300.318	1.467	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(/C=C(\C#N)C(=O)NCCOC)c1C	17473158	IZHGXCOOAQEKMS-XYOKQWHBSA-N	319.361	1.478	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](C)c1cnn(C)c1	158719909	AIKNMVJJILKFOE-VIFPVBQESA-N	309.801	1.963	50	20	DDGD	
C[C@@H](NC(=O)C(C)(C)C)C(=O)NNc1cccc([N+](=O)[O-])c1	151791733	MWXUPYJTSDKURK-SECBINFHSA-N	308.338	1.589	50	20	DDGD	
O=C(CN1C(=O)NC2(CCCC2)C1=O)NNc1ccccc1F	152947158	VQKMMPUOHZYRNG-UHFFFAOYSA-N	320.324	1.133	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)Nc2ccc(F)cc2F)n1	156255301	BGBAVWOXKZETRJ-UHFFFAOYSA-N	321.287	1.453	50	20	DDGD	
Cc1noc(C)c1[C@H](C)C(=O)NNC(=O)NCC(F)(F)F	157257267	OWZHEVSRDYIABK-YFKPBYRVSA-N	308.260	1.288	50	20	DDGD	
C[C@H](C1CC1)n1nccc1NC(=O)NNC(=O)[C@@H]1CCCO1	156355710	OYOSWDGMIGPNFA-KOLCDFICSA-N	307.354	1.186	50	20	DDGD	
CC(C)CN1N=C(C(=O)NNC(=O)CC(C)(C)C)CCC1=O	154589607	LINLIWOZXLXUHQ-UHFFFAOYSA-N	310.398	1.204	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNc1ccc(OC)cn1	159076620	SYJOXECFABVKCF-GFCCVEGCSA-N	306.366	1.324	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCC(=O)Nc1cccc2cccnc12	159296758	XGSVKDYMUJKCOR-QBFSEMIESA-N	324.340	1.733	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)/C=C\c1ccccc1Cl	209660392	ZSQNEPSUFKGTOR-FPLPWBNLSA-N	304.755	1.891	50	20	DDGD	
COC(=O)CCCC(=O)N(C)NC(=O)OCc1ccccc1	863933626	MZLKVFYDHOFECW-UHFFFAOYSA-N	308.334	1.630	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)NC)cnn1Cc1ccccc1	56377182	GKNKLYXAFAJBOX-UHFFFAOYSA-N	315.377	1.458	50	20	DDGD	
CC(=O)NNC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C	58832271	BARDDBPLVAOMHS-UHFFFAOYSA-N	320.780	1.852	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)[nH]n1	106025102	KFTSPOHEBCETFV-UHFFFAOYSA-N	312.251	1.812	50	20	DDGD	
CCCN(CC)c1ccc(C(=O)NNc2cnccn2)cn1	114879067	LIGBIRWMGYBEPH-UHFFFAOYSA-N	300.366	1.865	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)CNc2ccccc2)[nH]n1	174944839	IEHBRNNWURFNNN-UHFFFAOYSA-N	301.350	1.235	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cc[nH]c2)c1C	68229840	XVBWSZJOHKDTJO-GFCCVEGCSA-N	301.346	1.860	50	20	DDGD	
COc1cccc(OC)c1C(=O)NNC(=O)c1ccc(C)o1	176326473	RGUBZEJAZVEWCN-UHFFFAOYSA-N	304.302	1.680	50	20	DDGD	
CCC1CC(=O)C(=CNNC(=O)Cc2ccncc2)C(=O)C1	178300774	XBFFUSAUXYMGAP-UHFFFAOYSA-N	301.346	1.087	50	20	DDGD	
CCNC(=O)NNC(=O)Cn1c(CSC)nc2ccccc21	65190512	MYWSMXJLQGWHGJ-UHFFFAOYSA-N	321.406	1.250	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccc(Cl)nn2)c1-n1cccc1	176163388	CPCCNKRSZBSGNE-UHFFFAOYSA-N	317.740	1.411	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCc2ccc(Cl)cc2)cn1	117952069	SRQQWTRXVYREMR-UHFFFAOYSA-N	307.741	1.218	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)CC[C@H]2CCOC2)c1	177610654	PFDHBKLDBXZCLE-AWEZNQCLSA-N	320.389	1.646	50	20	DDGD	
N#CCCN(Cc1ccco1)S(=O)(=O)CBr	127208022	NNRUZBVGUHDPLU-UHFFFAOYSA-N	307.169	1.677	50	20	DDGD	
O=C(NNC(=O)c1ccc2ccccc2c1)c1cc[nH]c(=O)c1	126660707	XDNHZDAPDWQHEM-UHFFFAOYSA-N	307.309	1.603	50	20	DDGD	
CCc1nnsc1C(=O)NNC(=O)COCc1ccccc1	124345413	SEMKLOFUSZQVEW-UHFFFAOYSA-N	320.374	1.078	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cc(F)cc(Cl)c2)nn1	123850034	BVEHSGFUXWSJBP-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
CCOC(=O)c1[nH]ncc1/C=C(/C#N)C(=O)Nc1nccs1	128865278	DHQFHDNZFXEUBR-YVMONPNESA-N	317.330	1.589	50	20	DDGD	
COc1cccc(NNC(=O)c2cc(-c3ccncc3)on2)n1	180697908	NPLYBPKFZWMZCL-UHFFFAOYSA-N	311.301	1.897	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)C1=Cc2ccccc2CC1	121485362	MKKZCYJZPOPROE-UHFFFAOYSA-N	308.403	1.970	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cnn(CC(F)(F)F)c1	185668874	VLPALQQPFSVUCB-SSDOTTSWSA-N	307.276	1.644	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)[C@@H]1CCCN(C(=O)C2CC2)C1	182965235	WZVDGKDMLIQZML-LLVKDONJSA-N	322.796	1.827	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)CC(=O)NNc1cc(Cl)nc(N)n1	182787486	HRCDFHRPYLRQKA-LURJTMIESA-N	324.772	1.954	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)CCc1ccccc1O	185317342	RDIYBXRIZPIKIU-UHFFFAOYSA-N	308.378	1.535	50	20	DDGD	
CCc1ccccc1S(=O)(=O)NNC(=O)Cc1cccnc1	187428985	FSPWTWQNLALTAY-UHFFFAOYSA-N	319.386	1.196	50	20	DDGD	
CN(C)c1ccccc1NC(=O)C(=O)NNc1ccccc1F	187592788	UJYKELSNEGTKMG-UHFFFAOYSA-N	316.336	1.974	50	20	DDGD	
CC(=O)CCCC(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	185795292	KVLMOPJRZYSHSM-UHFFFAOYSA-N	320.374	1.659	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)c2c[nH]c3ccccc23)cn1	180617061	PFONFUGZECWGAK-UHFFFAOYSA-N	311.345	1.849	50	20	DDGD	
CN(C)C1(CNC(=O)NNC(=O)c2ccccc2O)CCCC1	43147233	AZIQXGRSKGFGJX-UHFFFAOYSA-N	320.393	1.211	50	20	DDGD	
O=C(NNC(=O)c1cnc([C@@H]2CCCO2)s1)c1ccncc1	133518995	JPCXUTOJRHPQEV-JTQLQIEISA-N	318.358	1.464	50	20	DDGD	
O=C(NNc1nc2ccccc2c(=O)[nH]1)c1cc(F)ccc1F	137138671	OWGWHUKHVYJQLG-UHFFFAOYSA-N	316.267	1.958	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc([N+](=O)[O-])ccc1Cl	132118348	UHNAWJICNUYUBJ-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
CS[C@H](C)C(=O)NNC(=O)c1cc(-c2ccccc2)on1	47935301	WEFWYBLHHITQSG-SECBINFHSA-N	305.359	1.854	50	20	DDGD	
CCOc1cccc(C(=O)NNC(=S)N[C@H](C)C2CC2)c1	83677235	ROAPIUDPLYHGQC-SNVBAGLBSA-N	307.419	1.993	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNC(=O)Cc1ccncc1	87357561	PHXNBNFJOATVNZ-UHFFFAOYSA-N	316.361	1.127	50	20	DDGD	
Cc1nc(NC(=O)NNc2nc3ccccn3n2)sc1C	191420665	QBBDBCDEHWRCDK-UHFFFAOYSA-N	303.351	1.951	50	20	DDGD	
CCN(C)C(=O)[C@H](C)NC(=O)c1c(C)nn(CCCl)c1C	191582584	DVDKRAIDRNSWNH-JTQLQIEISA-N	314.817	1.335	50	20	DDGD	
Cc1c(C(=O)NNC(=O)Cc2ccccc2F)cnn1C(C)C	92441540	QYELEIGGYLRYJG-UHFFFAOYSA-N	318.352	1.915	50	20	DDGD	
O=C(NNc1cnccn1)Nc1ccccc1N1CCCC1=O	92224874	BYRXFUMYAVDDMU-UHFFFAOYSA-N	312.333	1.752	50	20	DDGD	
CCC(C)(C)C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	263777600	NWOOCCFOJHQCJI-UHFFFAOYSA-N	324.377	1.910	50	20	DDGD	
Cc1noc(CCC(=O)NNc2cccc([N+](=O)[O-])c2C)n1	269633922	XUIUNMRMQOQOCW-UHFFFAOYSA-N	305.294	1.671	50	20	DDGD	
C=C(CBr)CN1CCC2(CC1)CCN(C)C2=O	366834173	LCJWOTJIEZHNOI-UHFFFAOYSA-N	301.228	1.882	50	20	DDGD	
Cc1cccc(O[C@H](C)CNC(=O)NNC(=O)C2CCC2)c1	266635330	XHZFUNPKJQKSDZ-GFCCVEGCSA-N	305.378	1.893	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2cn[nH]c2C1)c1ccccc1F	266247184	RARVHYSFJDVRJX-SECBINFHSA-N	302.309	1.115	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@H](NC(=O)NNC(=O)c2ccccc2)C1(C)C	271886488	WELBONDIEIWKOM-WCFLWFBJSA-N	305.378	1.690	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccc[nH]2)nnn1CC1CCCC1	278635730	BSFBCLXFHAGLNJ-UHFFFAOYSA-N	316.365	1.180	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cc([N+](=O)[O-])ccc1OC	273520186	PVLLLWFRUONWGD-MRVPVSSYSA-N	310.310	1.802	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CC(C)(F)F	277451862	XLQKYZSGMOJHHT-SSDOTTSWSA-N	309.313	1.092	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H](C)C2CCOCC2)c1	272566038	HIWFBMCSMUHEKK-NSHDSACASA-N	321.377	1.914	50	20	DDGD	
CCOc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)CC)ccc1C	274092731	UPNHYCVMMDTIOZ-JTQLQIEISA-N	321.377	1.526	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@@H]2CCC(=O)[C@H]2C)c1	281172503	LGILVXQQRVPBCO-QWRGUYRKSA-N	304.346	1.922	50	20	DDGD	
COCCN(C)NC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1	288320977	DDHYPNKMTGZYDA-NSHDSACASA-N	322.434	1.967	50	20	DDGD	
Cn1ncc2c1C[C@@H](C(=O)NNc1cc(Cl)ccn1)CC2	282495304	WHUSVPZCHNHBKK-VIFPVBQESA-N	305.769	1.717	50	20	DDGD	
CCN1CCOC[C@H]1C(=O)NNc1ccccc1C(F)(F)F	376818277	IIHIIQHDDZGRLH-LBPRGKRZSA-N	317.311	1.869	50	20	DDGD	
COc1cccc(NNC(=O)Nc2cc(C3CC3)n(C)n2)n1	290675256	SZXCAYDHMCHHRA-UHFFFAOYSA-N	302.338	1.850	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1occ2c1CCC2	803879552	OBLRKVFHTQVGDT-SNVBAGLBSA-N	322.361	1.507	50	20	DDGD	
C[C@@H](Cn1ccc2ccccc21)C(=O)NNC(=O)[C@@H]1CCCO1	294670499	OUAPOYKPUJPRBN-WFASDCNBSA-N	315.373	1.604	50	20	DDGD	
Cc1cccc(C(=O)N[C@@H](C(=O)NNc2nnc[nH]2)C(C)C)c1	293795000	CTOCNAZWCWGDEX-GFCCVEGCSA-N	316.365	1.011	50	20	DDGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NNc1cccc(C(=O)OC)c1	803083897	LRZHAOZYZYAKSF-HZMBPMFUSA-N	321.377	1.467	50	20	DDGD	
Cc1ccc(/C=C/C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)o1	298081163	IZZSRDNVSRXRBS-SYTKJHMZSA-N	312.391	1.094	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1ccc[nH]1	298103433	SLKHVHINLZMDPI-UHFFFAOYSA-N	310.354	1.081	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)c(F)c1	295592512	PGZCISIMPXVQGE-ZDUSSCGKSA-N	309.341	1.222	50	20	DDGD	
COc1ncccc1CCNC(=O)NNc1ccc(C)nn1	290911552	IUILOVLVMUOKKD-UHFFFAOYSA-N	302.338	1.057	50	20	DDGD	
Cc1nn(C)c2ncc(NC(=O)NNc3cccc(F)n3)cc12	806205916	DBPFWDLKOPRACT-UHFFFAOYSA-N	315.312	1.959	50	20	DDGD	
C[C@@H](COCC(F)(F)F)NC(=O)NNc1ncncc1F	293015370	PBMGDMFWCJQUFU-LURJTMIESA-N	311.239	1.209	50	20	DDGD	
CC[C@@H]1CN(C[C@H](C)CBr)C[C@H](C)S1(=O)=O	805772227	HERYDJGAOUQLTJ-OUAUKWLOSA-N	312.273	1.915	50	20	DDGD	
CC(F)(F)CCNC(=O)NNC(=O)COc1ccc(F)cc1	297677012	PMYQPHGTNYXCFO-UHFFFAOYSA-N	319.283	1.580	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2ccc3ccn(C)c3c2)O1	293371573	OZZCTVAZBVUPOP-HZMBPMFUSA-N	316.361	1.899	50	20	DDGD	
COCCN(C)NC(=O)CCC(=O)c1ccc(F)cc1F	297233141	YPGRXZHQLBUCMJ-UHFFFAOYSA-N	300.305	1.537	50	20	DDGD	
Cc1cc(NNC(=O)c2cc3ccccc3c(=O)n2C)nc(C)n1	806890130	UGIZKOJHFMVADN-UHFFFAOYSA-N	323.356	1.702	50	20	DDGD	
Cn1cc(/C=C/C(=O)NNc2ccc3c(=O)[nH]ccc3c2)cn1	803436798	CBVISJIQDJNFFL-GORDUTHDSA-N	309.329	1.418	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)N=c2cc[nH]cc2)C[C@H]1C	814999984	CWLJDRYUQWHQQG-RISCZKNCSA-N	318.377	1.980	50	20	DDGD	
Cn1c(=O)c(CNC(=O)NNc2cccnn2)cc2ccccc21	813838088	GFBLBBYPGUJVIS-UHFFFAOYSA-N	324.344	1.155	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cnn2c1OCCC2	816504345	JKMFRDTZQUENIS-UHFFFAOYSA-N	302.338	1.336	50	20	DDGD	
O=C(CN1CCCNC1=O)NNc1cc(Cl)nc(Cl)c1	819741335	LBSZEYMVMMHSHE-UHFFFAOYSA-N	318.164	1.247	50	20	DDGD	
O=C(CNc1ccccc1F)NN=Cc1cc(CO)ccc1O	814713664	SUSHIGQNUSGWLA-UHFFFAOYSA-N	317.320	1.586	50	20	DDGD	
CC(C)N(C)C[C@H](C)NC(=O)NNC(=O)Cc1ccc(F)cc1	811930698	ASEWSFQEPQPPKK-LBPRGKRZSA-N	324.400	1.427	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)[C@H](C)CCCCC(=O)O	814761516	ZBQVJUAMNIJQMF-LLVKDONJSA-N	311.382	1.382	50	20	DDGD	
COCc1nc(CNC(=O)NNc2ccc(F)cn2)cs1	811949971	RHENVARLMYWBQN-UHFFFAOYSA-N	311.342	1.650	50	20	DDGD	
CC(C)NS(=O)(=O)c1ccc(C(=O)NN(C)C2CC2)cc1	819641374	UKGQWBTTYCBITD-UHFFFAOYSA-N	311.407	1.112	50	20	DDGD	
CC[C@@H]1CN([C@H](C)C(=O)NNC(=O)CC(C)C)C[C@@H](CC)O1	817280397	DXVSWFWWJYWLCL-MGPQQGTHSA-N	313.442	1.458	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1c(F)ccnc1F	816830004	MQCQBOHJJYIREU-UHFFFAOYSA-N	316.267	1.916	50	20	DDGD	
COc1cc(C(C)=NNC(=O)COc2ccccc2OC)on1	814719518	SALKUNMCWJRUPS-UHFFFAOYSA-N	319.317	1.611	50	20	DDGD	
Cc1sc(C(=O)NNC(=O)NC2CC2)cc1Br	819162634	WFFNCKMZLHDYNZ-UHFFFAOYSA-N	318.196	1.925	50	20	DDGD	
CC[C@@H](Oc1ccccc1C)C(=O)NNC(=O)c1ccnnc1	817693518	PYDNJVHZVVQDGX-CYBMUJFWSA-N	314.345	1.404	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(-c2ccccn2)nc1O	816561585	CRCTZRKSYLTWLD-UHFFFAOYSA-N	302.334	1.072	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccnc(N2CCC[C@H](C)C2)c1	813426275	UPOKWPGOVTXPPM-LBPRGKRZSA-N	319.409	1.672	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1cc(Br)cs1	814955408	GGDMCEHTRACAMK-UHFFFAOYSA-N	313.180	1.927	50	20	DDGD	
O=Cc1ccc(OC(F)(F)C(=O)NNC(=O)CC2CC2)cc1	819114982	YQFHQBDXHQFDDZ-UHFFFAOYSA-N	312.272	1.418	50	20	DDGD	
O=C(O)COc1cccc(C=NNC(=O)[C@H]2CCCS2)c1	819826519	KHMDUVFHMINTLZ-GFCCVEGCSA-N	308.359	1.496	50	20	DDGD	
O=C(Cc1ccccn1)NN=C1CC(C(=O)O)(c2ccccc2)C1	814838523	QYNCSMCIWQDECQ-UHFFFAOYSA-N	323.352	1.913	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)N[C@@H]1CCn2ccnc2C1	814322770	GLZPMDNAZGRZIC-SECBINFHSA-N	306.757	1.573	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCC(=O)NC(C)(C)C	728131211	LBCABOLPVAKENL-UHFFFAOYSA-N	320.393	1.244	50	20	DDGD	
COc1ccc(SCCCC(=O)NN(C)[C@@H](C)CO)cc1	823934742	JGZSBYLUSQRXHB-LBPRGKRZSA-N	312.435	1.911	50	20	DDGD	
Cc1nc(C(C)(C)NCC(=O)NNC(=O)C(C)C)sc1C	828352391	ILEFEDOAVYMNTE-UHFFFAOYSA-N	312.439	1.388	50	20	DDGD	
C[C@@H]1CCC[C@@]1(C)C(=O)NNC(=O)[C@H]1COc2ccccc2O1	822192385	LASAZWWOQUKWDH-JDSLSITLSA-N	318.373	1.800	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)OC[C@H]2CNC(=O)O2)c1	495716429	IBEBVMNNAZUBJV-ZRVMKQEGSA-N	302.286	1.254	50	20	DDGD	
COc1ccc(C=NNC(=O)CN(C)C)cc1OCCCC#N	727647918	NTEVVRILOVEUJJ-UHFFFAOYSA-N	318.377	1.389	50	20	DDGD	
COCCOCCCNC(=O)/C(C#N)=C/c1ccc(F)cc1	490848233	ZTKXLHPSQKHQCD-SDNWHVSQSA-N	306.337	1.902	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(Cl)ccc1OC(F)F	824420860	FRWLDTYVIQMWHZ-UHFFFAOYSA-N	323.683	1.741	50	20	DDGD	
C[C@@H]1CN(CCNC(=O)/C(C#N)=C/c2ccc(O)cc2)CCO1	490972828	KVMRXAMANDCWLI-QQFZQELXSA-N	315.373	1.136	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCCCc2ccccc21	728438010	ZSGZFUWOGYICCR-NSHDSACASA-N	323.418	1.171	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CN[C@H](c1ccccc1)C(F)(F)F	823953036	XDANSPZYUXDQEA-GXFFZTMASA-N	319.327	1.223	50	20	DDGD	
CC(=NNC(=O)NCC1CC1)c1ccc(-c2nn[nH]n2)cc1F	823948797	YMLCIYQRJVVFRV-UHFFFAOYSA-N	317.328	1.439	50	20	DDGD	
COC(=O)N(C)NC(=O)Cc1cccc(N2CCCC2=O)c1	495764819	ZPOSUZJTCIEFKQ-UHFFFAOYSA-N	305.334	1.085	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C(C)(C)C#N)cc1F	822644710	IVMFIMBYOQHAKM-UHFFFAOYSA-N	310.354	1.702	50	20	DDGD	
Cc1ccc(NNC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)cc1F	826540997	KIHZAKQSFNAOAH-UHFFFAOYSA-N	320.368	1.966	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1	825601008	XEVNRMBQCIPKLG-YDHLFZDLSA-N	301.390	1.991	50	20	DDGD	
CCN(CCO)NC(=O)c1cnn(-c2cccc(C)c2)c1C	823841305	GZGGBKBHIQZNQR-UHFFFAOYSA-N	302.378	1.448	50	20	DDGD	
Cc1nnc(CCC(=O)NC[C@]2(C)C[C@H]2Br)o1	824805759	XPMLBRCFZYKCFK-KCJUWKMLSA-N	302.172	1.600	50	20	DDGD	
COc1cccc(C2(C(=O)NN(C)[C@@H](C)CO)CCCC2)c1	823959309	FVJNWRQOLXKJHZ-ZDUSSCGKSA-N	306.406	1.851	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)COc2ccc(C)cc2)no1	822202978	YGYWUUHAYVPOJE-UHFFFAOYSA-N	317.345	1.776	50	20	DDGD	
CCc1c(C(=O)NNc2nc(-c3cccnc3)no2)cnn1C	728077120	QBMUCAMFRWABJW-UHFFFAOYSA-N	313.321	1.184	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCC(C2CCCC2)CC1	584954765	IEBUUXZSUBDWOD-UHFFFAOYSA-N	319.185	1.548	50	20	DDGD	
Cn1cc(/C=C\C(=O)NNC(=O)CCCc2ccccc2)cn1	727717207	BALSJGHZCSHCEK-KHPPLWFESA-N	312.373	1.604	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)c1	495577860	ILLYGJFIYCUJAZ-LLVKDONJSA-N	306.366	1.843	50	20	DDGD	
CC[C@@H](C)c1nc(C)c(CC(=O)N2CC[C@H](B(O)O)C2)c(C)n1	585063712	FXEZJBVRYXTNDP-MFKMUULPSA-N	319.214	1.225	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@H]2CC(C)=NO2)o1	823595106	CDDYEJBZLAFDFG-CYBMUJFWSA-N	322.365	1.047	50	20	DDGD	
O=S(=O)(CCl)NC[C@@H](c1ccccc1)N1CCOCC1	820784000	WAZVETBALRAOGD-ZDUSSCGKSA-N	318.826	1.176	50	20	DDGD	
CCCNC(=O)Nc1ccc(CC(=O)NN(C)[C@@H](C)CO)cc1	823964635	CCCGNRRIYMPMQK-LBPRGKRZSA-N	322.409	1.104	50	20	DDGD	
COC[C@H](C)OC(=O)/C(C#N)=C\c1ccc(-c2nn[nH]n2)s1	821682669	LHQZKNJYMSSOJD-HXOPTJOXSA-N	319.346	1.413	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc3c(c2)C[C@H](C)O3)n1	829482768	SIFGQVRYTUMZLK-JTQLQIEISA-N	314.345	1.874	50	20	DDGD	
CCOC(=O)NNC(=O)C1(Cc2cccc(F)c2)CCOCC1	496006324	LTJJDRWPQBPQTJ-UHFFFAOYSA-N	324.352	1.942	50	20	DDGD	
Cc1cc(C)cc([C@H](O)CNC(=O)/C(C#N)=C/c2cnn(C)c2)c1	491082361	IQJPEXGJNDXOKN-DYFCPDHGSA-N	324.384	1.794	50	20	DDGD	
CC(C)[C@H]1CC[C@@H](C)CC1=NNC(=O)[C@@H]1CCS(=O)(=O)C1	730577686	XUWGSUSBHUMQLQ-JHJVBQTASA-N	314.451	1.986	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCC1	496937228	IMJAHOKUXYXWIY-JTQLQIEISA-N	315.370	1.409	50	20	DDGD	
C=C(C)CN(CC(=O)NNC(=O)C(C)C)Cc1ccccc1	829335238	DEUJZVUORAWXPV-UHFFFAOYSA-N	303.406	1.868	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc(C(=O)O)cc2)n1	821171558	YNKSMCXYCMDLKB-UHFFFAOYSA-N	306.709	1.894	50	20	DDGD	
CC1(C)Oc2ccc(NCc3ccc(B(O)O)cc3F)cc2O1	585033478	GVSSEMNEOMRCRG-UHFFFAOYSA-N	317.125	1.625	50	20	DDGD	
COCCOC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(O)cc1	491085970	SOIMYQMURMBHKK-ZMTLZGASSA-N	304.346	1.467	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1CCCc2nc(N)ccc21	834939354	ZOOQQHUGZLDFQF-UHFFFAOYSA-N	316.390	1.481	50	20	DDGD	
CN(CCCCNC(=O)NNc1ncncc1Cl)C1CC1	836687093	NXKYRYNBSGHOQU-UHFFFAOYSA-N	312.805	1.631	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc(F)c(F)c1F	901965365	DSOKVZGRLXKFTL-UHFFFAOYSA-N	320.292	1.217	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)n1	839515867	BCRVMKIZXOKFQC-QWHCGFSZSA-N	309.329	1.604	50	20	DDGD	
C[C@@]1(C(=O)NCC(=O)NC2CCCC2)C[C@H]1Br	906451757	DTFITVLPGDHAAH-BXKDBHETSA-N	303.200	1.335	50	20	DDGD	
C[C@]1(C(=O)N2CC[C@H](N3CCCC3=O)C2)C[C@@H]1Br	907693307	DUWSSZVYZRGXAW-KWBADKCTSA-N	315.211	1.383	50	20	DDGD	
CC(C)(C)C(=O)C(=O)NNC(=O)c1cc(Br)c[nH]1	735841488	RMCKHYPVOOQEKK-UHFFFAOYSA-N	316.155	1.153	50	20	DDGD	
CC(C)=CCC[C@H](C)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1	838658313	WVBKODKWJPQJGX-GXTWGEPZSA-N	317.455	1.502	50	20	DDGD	
CCCc1noc2nc(CC)cc(C(=O)NN(C)CCOC)c12	837628429	XFZJGXQPPNBYDC-UHFFFAOYSA-N	320.393	1.961	50	20	DDGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)[C@H](O)C1CC1	830810782	UNHRNJDNZIZKDQ-LLVKDONJSA-N	304.268	1.842	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)Cc1cscc1Br	910144743	LWODBGLQDPGSEK-ZETCQYMHSA-N	307.213	1.397	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)CSC(C)C)cc1	914465148	CHTKINVMQHWPGR-UHFFFAOYSA-N	311.407	1.396	50	20	DDGD	
C[C@@H](NS(=O)(=O)c1ccc(CCl)cc1)C(=O)NCCF	915260942	GNQNQNBHYPMVKH-SECBINFHSA-N	322.789	1.178	50	20	DDGD	
CC(C)[C@]1(C)C[C@@H]1NC(=O)NNC(=O)c1cccc(C#N)c1	838768295	ZUHNTMFSKWTOQW-BBRMVZONSA-N	300.362	1.937	50	20	DDGD	
C=CCSCCNC(=O)NNC(=O)Nc1ccc(OC)cc1	836269513	BCPCUNQRZLGDPH-UHFFFAOYSA-N	324.406	1.950	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1ccc2c(c1)COC2	836487169	ZVSOTELJMCYUBQ-CYBMUJFWSA-N	305.334	1.439	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NNC(=O)OCC(F)(F)F	912597315	QGSJBXBYSRNEMH-RCOVLWMOSA-N	320.271	1.395	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c(F)c1	749330965	CAZNCXAQCPNCEV-UHFFFAOYSA-N	316.288	1.938	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1c[nH]c2ccccc12)n1ccnc1	917359381	UYOFOCKITIYXOD-NSHDSACASA-N	311.345	1.777	50	20	DDGD	
CN(C)C1(C(=O)NNc2ncc(Br)cn2)CCC1	848320990	FBYWAZGPZXFUFJ-UHFFFAOYSA-N	314.187	1.167	50	20	DDGD	
CCONC(=O)CNC(=O)NNc1c(F)cccc1Cl	845541340	SDYVDBMSSCTQCB-UHFFFAOYSA-N	304.709	1.173	50	20	DDGD	
COc1nccnc1NNC(=O)c1scc2c1OCCO2	848227068	ZNCRUDPTEWMEHR-UHFFFAOYSA-N	308.319	1.075	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H](C)CN2C[C@@H](C)O[C@H](C)C2)c(C)[nH]1	917576283	PYDOTDLAWQCARB-MRVWCRGKSA-N	320.437	1.827	50	20	DDGD	
O=C(Cc1cc(F)cc2c1OCOC2)NNC(=O)C1CCCC1	914843181	BUUVHNPDOGVDDR-UHFFFAOYSA-N	322.336	1.572	50	20	DDGD	
CCn1ncnc1C=NNC(=O)C12CC3CC(CC(C3)C1)C2	848400006	AESZYNANNFLWBZ-UHFFFAOYSA-N	301.394	1.965	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)CCN1CCCCCC1	749758681	QIMQFHLCLXGBOD-GFCCVEGCSA-N	300.472	1.546	50	20	DDGD	
Cc1ccc(NNC(=O)c2cn(Cc3ccccn3)nn2)cc1	749195024	YUAJNNJHWZZEFV-UHFFFAOYSA-N	308.345	1.787	50	20	DDGD	
CC(C)(C#N)CCS(=O)(=O)NNC(=O)c1cccc(C#N)c1	844656586	UVQWZXZLJIXIQJ-UHFFFAOYSA-N	320.374	1.062	50	20	DDGD	
N#Cc1ccc(Br)c(NNC(=O)CC2COC2)c1	912452666	YTDAZBCNSMGLAH-UHFFFAOYSA-N	310.151	1.800	50	20	DDGD	
Cn1c(NNC(=O)[C@H]2CCc3ncncc3C2)nc2ccccc21	848381843	VONWMFAUPZPICR-NSHDSACASA-N	322.372	1.612	50	20	DDGD	
CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)c1ncccn1	841350001	DBBATYVSWLWRPP-CYBMUJFWSA-N	314.345	1.404	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)N[C@@H](C)C2CC2)cc1C	915928153	RDQUVFSBPQSIEB-NSHDSACASA-N	318.377	1.371	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)nc1	848674596	GYQRIIGBYFTSRI-KBPBESRZSA-N	319.409	1.733	50	20	DDGD	
CS(=O)(=O)c1ccc(C(=O)NNc2ccc(C#N)cc2)o1	748100985	PZSHEDHBVUPWIB-UHFFFAOYSA-N	305.315	1.312	50	20	DDGD	
C#CCOc1ccc(C(=O)NNC(=O)c2ccccc2F)cc1	741514698	OWDPSSPEYGJGSI-UHFFFAOYSA-N	312.300	1.913	50	20	DDGD	
CCC(CC)(C(=O)NNC(=O)NC1CC1)C(=O)OC(C)(C)C	845298886	JADDQADAZKLVTE-UHFFFAOYSA-N	313.398	1.627	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1cc(C)c(O)c(O)c1	841624921	GWKYUCMKZXFHLV-UHFFFAOYSA-N	321.377	1.551	50	20	DDGD	
CCC(=NNC(=O)C(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1	748136432	ILXGETUUYPYEIY-UHFFFAOYSA-N	318.333	1.448	50	20	DDGD	
Cc1nc(NC2CC2)sc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	844145826	FXBDJPQGUCXGSG-PSASIEDQSA-N	324.406	1.212	50	20	DDGD	
Cc1cc([C@@H]2CCCN2CC(=O)NNC(=O)C(C)(C)C)no1	744386245	IBKFNAAMWLRLFI-LBPRGKRZSA-N	308.382	1.313	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccccc2O)c(C)n1	757684607	ZIUFRRIHZAIXIQ-UHFFFAOYSA-N	316.317	1.571	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cn(CC(C)C)nc1C(F)F	854920983	HLLWRCNQHAESND-UHFFFAOYSA-N	319.381	1.558	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc2c(c1)CCO2)C1CC1	751616135	FUHOABWLJSLBDT-SECBINFHSA-N	305.403	1.529	50	20	DDGD	
COCCCNC(=O)NN=Cc1cc(C(F)(F)F)nn1C	853296029	ZIDXTOQZLRHGTF-UHFFFAOYSA-N	307.276	1.109	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)N[C@@H](C)C2CC2)c2n[nH]cc2c1	855100361	ADAOYVLSBHMWHD-VIFPVBQESA-N	317.418	1.779	50	20	DDGD	
COC(=O)c1c(C)cccc1S(=O)(=O)N1CC=C(C#N)CC1	759082733	XMBNPUMEUJSFLB-UHFFFAOYSA-N	320.370	1.626	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)c2ccc(O)cc2)C[C@H]1Br	857390412	DTJWCAYQTMNACY-ZWNOBZJWSA-N	312.163	1.865	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H]2C[C@H]2C2CC2)c1	751739978	CWLQUBMBZXUDKK-UONOGXRCSA-N	316.357	1.345	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cc2nn[nH]c2cc1F)C1CC1	855098221	CHSXZERRHPUNCN-LURJTMIESA-N	322.369	1.004	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1cc(C)c(C(=O)OC)o1	853000766	HIMJIUZPELRVNW-FMIVXFBMSA-N	320.345	1.824	50	20	DDGD	
CSSCCNC(=O)NCc1nc(C(N)=O)cs1	852315689	XJVYDNSUSXXHNS-UHFFFAOYSA-N	306.438	1.052	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1	921038087	CUXKQCRBLVKSLP-UHFFFAOYSA-N	306.278	1.695	50	20	DDGD	
N#Cc1cccc(OCC(=O)NNc2ncccc2[N+](=O)[O-])c1	759298145	TZQIAUBQVOIXPO-UHFFFAOYSA-N	313.273	1.384	50	20	DDGD	
CSC(C)(C)C(=O)NNC(=O)COc1ccc(C#N)cc1	854193106	ODLRIWBUXLLUTR-UHFFFAOYSA-N	307.375	1.226	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)c2cccc(N)c2)C[C@H]1Br	856752404	IVXNHUZWYDCEOZ-MNOVXSKESA-N	319.224	1.721	50	20	DDGD	
O=S(=O)(CBr)N[C@H](c1ccccn1)C1CC1	921429041	JJDLODQERYTEDW-JTQLQIEISA-N	305.197	1.805	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNC(=O)COc1cccc(C)c1	858127883	SHWFXJSHGJPHHX-AWEZNQCLSA-N	308.378	1.726	50	20	DDGD	
O=C(NN=Cc1cnc(C2CC2)s1)[C@@H]1CN2CCC[C@@H]2CO1	853388849	QJIOAYGYDCLGEF-YPMHNXCESA-N	320.418	1.334	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)o1	753886960	AMKFCWRMCFDCFH-AWEZNQCLSA-N	316.313	1.118	50	20	DDGD	
Cc1ncsc1CCC(=O)NNC(=S)NCC1CCC1	855092728	OTPURZRSXWZJSR-UHFFFAOYSA-N	312.464	1.680	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cnc2n1CCCCC2	857116413	DYBNDVCYFBEKMH-UHFFFAOYSA-N	313.361	1.008	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1	756516722	NTWCFZXTRJRTEK-UHFFFAOYSA-N	320.349	1.924	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(OC2CCCC2)nc1	756313448	OGSNMQBDJPNZJT-UHFFFAOYSA-N	308.338	1.202	50	20	DDGD	
CCC[C@@H](C)C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	859266008	VTVQCBSXIKEZDX-SNVBAGLBSA-N	324.377	1.910	50	20	DDGD	
O=C(Cn1cc(C2CC2)cn1)NNc1nccnc1C1CCC1	854459450	IYJNZKFZRSLLTE-UHFFFAOYSA-N	312.377	1.961	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCc2cc(F)ccc21	850271466	XNWGGAMGOZLQEW-ZANVPECISA-N	322.336	1.345	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cc(C2CC2)nn1C	935243842	YORCJAXVMQRMKU-UHFFFAOYSA-N	314.345	1.841	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1cccc(C)c1Cl	869908464	NYLIBGWIRDTWFL-UHFFFAOYSA-N	300.742	1.072	50	20	DDGD	
CC(C)COC(=O)N1CCC(=NNC(=O)c2cn[nH]c2)CC1	863154140	OVEYUEJSUNJMCH-UHFFFAOYSA-N	307.354	1.384	50	20	DDGD	
CCn1c(NNC(=O)[C@H](O)C(C)(C)C)nc2ccccc2c1=O	764701117	XWEZHULVXCFEAR-LBPRGKRZSA-N	318.377	1.267	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2C[C@H]2C(F)(F)F)c1	868802394	ZMJATKRJLHLSRW-RNFRBKRXSA-N	307.297	1.951	50	20	DDGD	
O=C(NNC(=O)C1Cc2ccccc2C1)c1ccc2c(c1)OCO2	761406567	PRHFGFGCKAEJML-UHFFFAOYSA-N	324.336	1.591	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cccc2nsnc12	861603342	RUZUZMDTFFJSOM-SFYZADRCSA-N	321.362	1.269	50	20	DDGD	
COc1ccc([N+](=O)[O-])c(C(=O)NN[C@H](C)C(F)(F)F)c1	862309013	KYVNKLKRWXZYOA-ZCFIWIBFSA-N	307.228	1.789	50	20	DDGD	
COC(=O)CSCc1cccc(NC(=O)NNC(C)=O)c1	765181106	ZMOLANUQWNJOLF-UHFFFAOYSA-N	311.363	1.265	50	20	DDGD	
C[C@H](O)CN1CCN(C(=O)[C@H](Br)C(C)(C)C)CC1	767977627	BJTLUNWKXVGJCT-QWRGUYRKSA-N	321.259	1.321	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H](C)Cc2c(C)nn(C)c2C)cc[nH]1	862512959	MVWPSCZLAOSWLU-SNVBAGLBSA-N	301.394	1.484	50	20	DDGD	
C[C@H](NNC(=O)C1CN(C(=O)C2CCCCC2)C1)C(F)(F)F	862321865	BREAFHBUTPEEIT-VIFPVBQESA-N	321.343	1.597	50	20	DDGD	
O=C(O)c1ccc2c(C=NNC(=O)c3ccccc3O)n[nH]c2c1	765547467	ARJFSRHIAFFITA-UHFFFAOYSA-N	324.296	1.731	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCc1nnn(C(C)(C)C)n1	867484646	HBSLDZMMSLXDQP-UHFFFAOYSA-N	323.850	1.113	50	20	DDGD	
CCC(CC)(C(=O)NNC(=O)c1cn[nH]c1)c1ccccc1	862472584	NLGKHILYFHBLNS-UHFFFAOYSA-N	300.362	1.929	50	20	DDGD	
COCC(=O)NN=Cc1c(C)nn(-c2ccc(F)cc2)c1C	761823681	GZYTVVGOYKYDPW-UHFFFAOYSA-N	304.325	1.725	50	20	DDGD	
O=C(CCC1(O)CCC1)NNC(=O)c1ccc2ccccc2n1	864382082	DNYQXESFEIFJCN-UHFFFAOYSA-N	313.357	1.691	50	20	DDGD	
O=C(O)c1ccc2c(C=NNC(=O)c3ccncc3)n[nH]c2c1	765543319	PZHHAKQIXUGMFM-UHFFFAOYSA-N	309.285	1.420	50	20	DDGD	
CC(=O)N[C@H](C(=O)N(C)NC(=O)OCc1ccccc1)C(C)C	862284328	ATQLGLRAWXKUGW-AWEZNQCLSA-N	321.377	1.447	50	20	DDGD	
Cc1ccc(Cl)c(S(=O)(=O)NNC(=O)C2CCC2)c1	765646577	BKEFNWKIRRBULX-UHFFFAOYSA-N	302.783	1.758	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)C2(C(C)(F)F)CC2)c1	1118839426	HCIAYEBCSRIFFA-UHFFFAOYSA-N	311.332	1.949	50	20	DDGD	
Cc1cc(=NNC(=O)NCc2nc(C3CC3)cs2)cc[nH]1	875387302	CVUDRZPBAOKKJM-UHFFFAOYSA-N	303.391	1.972	50	20	DDGD	
Cc1ccc(F)cc1C=NNC(=O)Cc1cc(O)nc(S)n1	777882101	NFOBPVYBNRMDLC-UHFFFAOYSA-N	320.349	1.611	50	20	DDGD	
CCOC(=O)N1CCC(NC(=O)NN=c2cc[nH]c(C)c2)CC1	874976686	XVYWMYOOCIWCMK-UHFFFAOYSA-N	321.381	1.059	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NNC(=S)Nc1ccccn1	874956545	HJMGBDBYUXZHQT-GHMZBOCLSA-N	307.423	1.272	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1	771915232	RSMIRUMORLGCPC-ZWKOPEQDSA-N	322.336	1.418	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)c2ccc(F)cc2F)n[nH]1	879185150	FXSJDZKTNHFQIT-UHFFFAOYSA-N	322.315	1.735	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2CCN(C)[C@@H]2C)c(C)c1	873760239	OKERHPONHPOQRI-CHWSQXEVSA-N	320.462	1.961	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)CC1	778949920	XENIEBMNWXULSE-UHFFFAOYSA-N	320.374	1.326	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccn(Cc3ccccc3)n2)o1	773274274	SZWKKZDATDUROS-UHFFFAOYSA-N	324.340	1.908	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cnn(C)c1C1CC1	772876423	VMKHSYYPKGRPIL-UHFFFAOYSA-N	300.366	1.968	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2cccc(C)n2)[C@@]12CCCO2	875490617	WMDOYGAKUJOQIC-ZENOOKHLSA-N	320.393	1.743	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCc1cc(C(F)(F)F)ccn1	875622754	YMTVEKNXBZSMRB-UHFFFAOYSA-N	320.271	1.555	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1ccc(-n2cccn2)cc1	874105201	NQHQGUUKVQGGBK-UHFFFAOYSA-N	306.329	1.816	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccc(N2CCCC2)cc1	875098830	BOYQCIRDWNHOMV-UHFFFAOYSA-N	306.366	1.699	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H]1CCn2ccnc2C1	772868317	GHBCSKYOTNSOKT-NSHDSACASA-N	300.366	1.502	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@]2(C)CC(C)=NO2)c(F)c1	1120743665	VGTJUZZWUMRARH-CQSZACIVSA-N	309.297	1.610	50	20	DDGD	
CC[C@H](C)n1nc(C(=O)NNC(=O)c2ccccc2O)cc1C	778505273	XDZAXBYBFHSTJJ-JTQLQIEISA-N	316.361	1.943	50	20	DDGD	
CC[C@@H](NS(=O)(=O)CBr)C(=O)OC(C)(C)C	782473437	VSQIEYDNSSHTKV-SSDOTTSWSA-N	316.217	1.379	50	20	DDGD	
COc1ccc(C=NNC(=O)c2cc(Br)c[nH]2)cn1	780199498	POWWZFSXBFLYMF-UHFFFAOYSA-N	323.150	1.945	50	20	DDGD	
Nc1ncc(C=NNC(=O)c2cc(-c3cccs3)[nH]n2)cn1	781594235	CQXBSJNCDAQHQA-UHFFFAOYSA-N	313.346	1.274	50	20	DDGD	
Cc1csc([C@@H](C)C(=O)NNC(=S)NC(C)(C)C)n1	899997525	WVIPGOWPYORRDR-QMMMGPOBSA-N	300.453	1.849	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2ccc(Cl)c(F)c2)C(=O)O1	896352027	PPEFEBVZVGFLLH-LDWIPMOCSA-N	301.705	1.809	50	20	DDGD	
COc1ccc(CNS(=O)(=O)CBr)c(C)c1	782471028	HRAUKZJDTRWILR-UHFFFAOYSA-N	308.197	1.775	50	20	DDGD	
CC(C)(C#N)CNC(=O)NNc1cccc(S(C)(=O)=O)c1	781955080	JZSYWTPGVOKLPG-UHFFFAOYSA-N	310.379	1.266	50	20	DDGD	
N#C/C(=C\c1ccccc1)C(=O)OCc1nc(-c2nc[nH]n2)no1	785344185	JNIVAXFQEIVIRK-IZZDOVSWSA-N	322.284	1.505	50	20	DDGD	
O=C(NN=Cc1cc(Cl)cc2c1OCC2)C(=O)NC1CC1	782900245	HDYQEHJRKRBCQU-UHFFFAOYSA-N	307.737	1.004	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@@H]1CO[C@@H](C)C1	784018390	WPHDMTQSWWPTFE-RYUDHWBXSA-N	322.361	1.037	50	20	DDGD	
C[C@H](C(=O)Nc1cccc(NC(=O)NN(C)C)c1)n1cncn1	788253542	BHIODABUNLRTNL-SNVBAGLBSA-N	317.353	1.076	50	20	DDGD	
CN1C(=O)CCC[C@H]1C(=O)NNc1cccc(C(F)(F)F)n1	895290099	RJEYUOQZBGPEHW-QMMMGPOBSA-N	316.283	1.554	50	20	DDGD	
COc1ccc([C@@H](NC(C)C)C(=O)NNc2cnnn2C)cc1	897847329	WSCKUFYLEQDYHG-CQSZACIVSA-N	318.381	1.006	50	20	DDGD	
O=C(NCCc1cccs1)NN=C1CC(=O)N2CCCC[C@@H]12	799478022	PGGQBSLGUUFVCN-ZDUSSCGKSA-N	320.418	1.731	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNC(=O)COc1ccccc1OC	791009294	DOIVGFCGQVNFHA-GFCCVEGCSA-N	319.361	1.206	50	20	DDGD	
CCn1ncnc1CNC(=O)NNc1ncnc2ccsc12	793269965	AUYWUSBXLUYIDI-UHFFFAOYSA-N	318.366	1.129	50	20	DDGD	
O=C(Cc1ncccc1F)NNC(=O)c1cccc(Cl)c1	792018140	RIUMLZJIFHVJKY-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCC1(C#N)CC1)c1ccccc1	797583591	ZZXGTPCAZJYWOM-ZDUSSCGKSA-N	300.362	1.814	50	20	DDGD	
Cc1ccccc1-n1nccc1C=NNC(=O)c1c[nH]nc1C	794514921	PLICEAZCDMJBCO-UHFFFAOYSA-N	308.345	1.976	50	20	DDGD	
Cc1nc(CNC(=O)NNc2nc3ccccn3n2)cs1	790139771	VUYOESCURSVTND-UHFFFAOYSA-N	303.351	1.321	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2ncccc2C)[C@@]12CCCO2	791038585	MOTJGMPUWLPPPM-IOASZLSFSA-N	320.393	1.743	50	20	DDGD	
COc1cc(C)cnc1C(=O)NNC(=O)c1ccccc1O	792589573	RTGANDGLOQWCLH-UHFFFAOYSA-N	301.302	1.179	50	20	DDGD	
COc1c(C(=O)NNC(=O)c2ccc(C)o2)cccc1[N+](=O)[O-]	793623609	CSKSSEJAYQXPNN-UHFFFAOYSA-N	319.273	1.580	50	20	DDGD	
CC(C)=CCNC(=O)NNC(=O)COc1ccc(C)c(C)c1	790534412	OICBMHWOQQXSED-UHFFFAOYSA-N	305.378	1.979	50	20	DDGD	
NC(=O)[C@H]1CCC[C@@H](C(=O)NNc2cccc(F)c2[N+](=O)[O-])C1	791066457	IKZRZSZKGMMKPG-DTWKUNHWSA-N	324.312	1.469	50	20	DDGD	
COC(=O)c1csc(C(C)=NNC(=O)c2cnn(C)c2)c1	794908302	JKLOWPYCFXBRNG-UHFFFAOYSA-N	306.347	1.422	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(C2CC2)no1	799576560	GUIWPINGYPSEFG-VIFPVBQESA-N	323.349	1.291	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1C1CC1)c1cncn1-c1ccccc1	1319034067	LMGPNOIZSTXCRU-ZIAGYGMSSA-N	310.357	1.679	50	20	DDGD	
C[C@H]1CS(=O)(=O)CCN1C[C@H](CBr)C1CC1	701838442	PRHOIPVTKRIHAU-ONGXEEELSA-N	310.257	1.526	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1[nH]c(-c2ccccc2)nc1C	1319346228	PAYFKSZYZRJWKX-UHFFFAOYSA-N	300.318	1.398	50	20	DDGD	
CCOC(=O)[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C1CC1	1321079829	NIYAWGOJVCBKLR-UZGISAJGSA-N	314.341	1.757	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C1(C(C)(F)F)CC1	1329275362	CWNAIIZEBUGWCU-UHFFFAOYSA-N	308.325	1.358	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)c2n[nH]c3c2CCCC3)[C@@H]1SC	1324051106	NTALABMDJXZXFI-JSGCOSHPSA-N	322.434	1.915	50	20	DDGD	
NC1(CNC(=O)NNC(=O)c2ccccc2Cl)CCCC1	1329822717	GJMDTJLZNCJSLT-UHFFFAOYSA-N	310.785	1.556	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1c[nH]c(Br)c1	1256496072	MKZUSEWOMBOXKW-UHFFFAOYSA-N	303.185	1.072	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cnn(-c2ccccc2)c1OC	1322014199	GSGAWNWEZNXIEZ-UHFFFAOYSA-N	304.306	1.224	50	20	DDGD	
CNC(=O)c1cc(Br)ccc1NC(=O)CCl	1253968874	UXZGKYWXTJFEOL-UHFFFAOYSA-N	305.559	1.986	50	20	DDGD	
COCCn1ccc(C(=O)OC[C@]2(C)C[C@@H]2Br)n1	1348961503	NIWRTDRKFSUCJF-JQWIXIFHSA-N	317.183	1.860	50	20	DDGD	
CC1(CNC(=O)NNC(=O)C2CCNCC2)CCCCCC1	1348555896	SOLNHSVMEPWTCD-UHFFFAOYSA-N	310.442	1.677	50	20	DDGD	
CC1=NO[C@@](C)(C(=O)NNC(=O)Cc2ccc(Cl)cc2)C1	1346314290	XXKJEVZTSAHXFZ-CQSZACIVSA-N	309.753	1.585	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)/C=C/C2CCOCC2)cc1	1608780303	DMXYYAJRKBVRCU-ZZXKWVIFSA-N	304.346	1.740	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)[C@@H](C(=O)O)C1CCCC1	1605360189	KNRRAVICABCEDK-NSHDSACASA-N	305.334	1.042	50	20	DDGD	
CC(=O)N[C@@](C)(C(=O)NNc1cccc(C(=O)O)c1C)C(C)C	1603035489	XVFPYZCFMRYKGP-MRXNPFEDSA-N	321.377	1.687	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2c(O)cccc2O)cc1F	1602383628	UOFQAXCOJOPQID-UHFFFAOYSA-N	306.249	1.692	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=S)Nc1ccccc1-c1nn[nH]n1	1603994283	ASLOJMXXOAQZDY-QMMMGPOBSA-N	319.394	1.230	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CC[C@H]1C(=O)O	1605815383	IEEBMOQWGMBYJX-JGVFFNPUSA-N	313.697	1.802	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2ccc(C(=O)O)cn2)n1	1600182514	GZHHZSLXEYNKAD-UHFFFAOYSA-N	302.294	1.335	50	20	DDGD	
COCCOCCC(=O)NNc1cccc(F)c1C(=O)O	1610261135	NMLOZLBVAZXJTP-UHFFFAOYSA-N	300.286	1.020	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C12CC(C1)C2)[C@H](F)Cl	1803371805	VYKJKVBHYATARJ-ZSRIXRNTSA-N	314.788	1.959	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCO[C@H]1c1nccn1C)C(F)(F)F	1549308260	ALJUUZUQXXIUCF-VHSXEESVSA-N	318.299	1.942	50	20	DDGD	
C#CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](F)Cl)sc2C1	1817134305	MRBVPWHMQCLUTN-LDWIPMOCSA-N	315.757	1.223	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@@H]1C=NNC(=O)[C@H]1CCCOC1	1552762253	BRFVBXDNMNZIMT-HZSPNIEDSA-N	320.393	1.509	50	20	DDGD	
C[C@@]1(C(=O)NNc2c(Cl)cc(F)cc2Cl)CNCCO1	1576349948	KOOGIXQQWIDVQO-LBPRGKRZSA-N	322.167	1.954	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2NC3)c1	1579768449	YNUAXVLIXOYFHG-MRVWCRGKSA-N	318.446	1.701	50	20	DDGD	
CN(NC(=O)c1cc(C2CCNCC2)no1)c1ccccn1	1578505853	BKZXAXQIFFGDPE-UHFFFAOYSA-N	301.350	1.318	50	20	DDGD	
C=CCC(F)(F)C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1846011381	GKOUOXVSXUFWJX-VIFPVBQESA-N	324.730	1.936	50	20	DDGD	
NCCCSCCC(=O)NNC(=O)c1cc2ccccc2o1	1580301076	PVLRSZNCHPKRBB-UHFFFAOYSA-N	321.402	1.666	50	20	DDGD	
O=C(C[C@H]1CCCN1)NNC(=O)c1nc2ccccc2s1	1580505896	NKBBTOFZPAJRGO-SECBINFHSA-N	304.375	1.199	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cccnc2)C1	1842393462	FKXSCLPINOKMNY-ZDUSSCGKSA-N	321.808	1.916	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)Nc2ccc(C(=O)O)cc2)CCCO1	1593755479	RPVKGUPTCALLAE-AWEZNQCLSA-N	307.306	1.107	50	20	DDGD	
COc1c(NC[C@]2(C)C[C@@H]2Br)ncnc1C(=O)O	1599343675	VSOMOVFHZHWTPG-KGFZYKRKSA-N	316.155	1.769	50	20	DDGD	
CCCN1C[C@H](C(=O)NNc2ccc(C(=O)O)cc2F)CC1=O	1595896736	PJRKCNNYWUSWNZ-SNVBAGLBSA-N	323.324	1.226	50	20	DDGD	
CCNC(=O)NNc1ccc(-c2nn[nH]n2)cc1C(F)(F)F	1590743971	CMAFYYFRUIFCFQ-UHFFFAOYSA-N	315.259	1.532	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1cncc(F)c1Cl	1595261958	NJBOIYYIYKBSGE-UHFFFAOYSA-N	310.672	1.724	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)c1cccnn1	1593162554	XHJBAXYVOBBDLZ-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
CN1C[C@@H]2[C@@H](CC[C@H]2NC(=O)NNc2cccc(C(=O)O)c2)C1	1598574722	ZEHUWVRFSPYWNH-IACUBPJLSA-N	318.377	1.351	50	20	DDGD	
CO[C@@H](C(=O)NNc1cccc(C(=O)O)c1)C(=O)OC(C)(C)C	1599028878	UGRGHRMGRFKYEU-NSHDSACASA-N	324.333	1.185	50	20	DDGD	
CC[C@@H](C#N)C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1590367416	QXCZRWNZDAOONQ-ZETCQYMHSA-N	305.729	1.513	50	20	DDGD	
CO[C@](C)(C(=O)O)C(=O)NNc1cc(C(F)(F)F)ccc1F	1593927313	XRRWEDQOLLWEAA-NSHDSACASA-N	324.230	1.777	50	20	DDGD	
O=C(O)c1cnc(C(=O)NNc2c(F)cc(F)cc2F)cn1	1595266380	KESJNQMCKRRYMO-UHFFFAOYSA-N	312.207	1.349	50	20	DDGD	
CC(=NNC(=O)c1ccc(C(=O)O)cc1)C1(S(C)(=O)=O)CC1	1776101610	QFYDICBOZWIQOQ-UHFFFAOYSA-N	324.358	1.068	50	20	DDGD	
CC(C)(C)CC(=O)NN=Cc1ccn([C@H]2C[C@H](C(=O)O)C2)n1	1776041755	ABPNCRAOEVGMEV-UMSPYCQHSA-N	306.366	1.805	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2cc(C(=O)O)cn2C)cc1	1776016485	YGCQRLYBSRCGDQ-UHFFFAOYSA-N	314.345	1.594	50	20	DDGD	
Cc1[nH]c(C=NNC(=O)c2cccc(Cl)n2)cc1C(=O)O	1776092208	CVNDXMQFICYZQU-UHFFFAOYSA-N	306.709	1.834	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1cc(C(=O)O)ccc1OC	1776129277	BNCVSIIDYLANIC-UKTHLTGXSA-N	318.329	1.453	50	20	DDGD	
O=C(CC(F)(F)F)NN=Cc1cccn2c(C(=O)O)cnc12	1776036542	WPIPNXREZGGYON-UHFFFAOYSA-N	314.223	1.435	50	20	DDGD	
O=C(NNC(=O)c1ccc2[nH]cnc2c1)c1ccc2c(c1)OCO2	15793670	KLEWPQWPDOCVRK-UHFFFAOYSA-N	324.296	1.366	50	20	DDGD	
Cc1cccc(NC(=O)CSCC(=O)NNC(=O)C2CC2)c1	15793992	NXLRVWFXPVMFNE-UHFFFAOYSA-N	321.402	1.224	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1csc(S(C)(=O)=O)c1	152330994	ZMXDJBIQWCBIMJ-UHFFFAOYSA-N	318.420	1.349	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)[nH]n1	153305179	XVFOAYHOCBPODJ-UWVGGRQHSA-N	320.299	1.561	50	20	DDGD	
CNS(=O)(=O)[C@H]1CCN(/C(=C/C#N)c2ccc(F)cc2)C1	155895168	IWDOJNUZEXIKOH-VYAXBHEWSA-N	309.366	1.314	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1	154869536	HTMAWSCPQLCPKC-JTQLQIEISA-N	317.305	1.273	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cccc(F)n1	159251127	OCSGQSXVWBLSOW-VIFPVBQESA-N	321.283	1.588	50	20	DDGD	
CCn1ccnc1C(=O)N(C)NC(=O)OCc1ccccc1	862288713	QQTXMUQDOOTDPT-UHFFFAOYSA-N	302.334	1.816	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1ccc(-n2cccc2)cc1	106416598	PVEYIYUUUHTYPN-UHFFFAOYSA-N	309.329	1.204	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNC(=O)CCc1ccccc1	104355089	DFTSHMIFKUMNPY-OAHLLOKOSA-N	303.406	1.641	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)Nc1ccccn1	54450072	UDDJXYWKXZZHDV-UHFFFAOYSA-N	322.328	1.938	50	20	DDGD	
O=C(CSCC(F)(F)F)NNC(=O)NC1CCCCC1	179504043	ODJZZZKPDLQAQH-UHFFFAOYSA-N	313.345	1.945	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ncoc2C)cc1C	102322140	JMULYHNDCPTLBP-UHFFFAOYSA-N	303.318	1.440	50	20	DDGD	
COc1cc(C(=O)NNC(=O)NCC2CC2)cc(OC)c1OC	25087945	OHANLDZVLMTGIL-UHFFFAOYSA-N	323.349	1.066	50	20	DDGD	
CNC(=O)NNC(=O)CSCc1coc(-c2ccccc2)n1	56377077	XFWDTHHMONBNOS-UHFFFAOYSA-N	320.374	1.535	50	20	DDGD	
O=C(COCCc1ccccc1)NNc1ccc(Cl)nn1	118501150	RXWDFXBMTGOUBK-UHFFFAOYSA-N	306.753	1.832	50	20	DDGD	
CN1CCC[C@@H]1CNC(=O)NNc1ccc(C(C)(C)C)nn1	118572401	OPMQEQNHYPYQJQ-LLVKDONJSA-N	306.414	1.494	50	20	DDGD	
CCCCCC[C@H](C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1	172702848	JKFVLCXQJIBOBJ-RYUDHWBXSA-N	318.439	1.175	50	20	DDGD	
COc1ccc2c(c1)C[C@H](C(=O)NNc1cccnn1)CO2	172366972	DFUVVIPJEJHXSE-NSHDSACASA-N	300.318	1.180	50	20	DDGD	
O=C(NCCn1cccn1)NNC(=O)c1cc2ccccc2o1	176227130	OJBXAKXPFIMALP-UHFFFAOYSA-N	313.317	1.274	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CC2CCOCC2)c1	117231443	YGEXUKKSUDIEMZ-UHFFFAOYSA-N	306.362	1.338	50	20	DDGD	
CCOc1ccc(C(=O)CCC(=O)NNC(=O)C2CC2)cc1	26968081	DZHVLAJNUIZGEN-UHFFFAOYSA-N	304.346	1.606	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)/C=C/c2cncc(F)c2)nc1	179779716	HTEWDDGQYWWAMR-GORDUTHDSA-N	316.292	1.559	50	20	DDGD	
CN(C)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)c2ccccc2O)C1	176575892	UVCREMJRQRJBBC-VXGBXAGGSA-N	320.393	1.209	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1	61474705	IFXGQETWZRWGMW-UHFFFAOYSA-N	324.296	1.470	50	20	DDGD	
C[C@@H]1CCC[C@H](OCC(=O)NNC(=O)c2cccc(C#N)c2)C1	112581355	ZFZRQVXTVXFKLR-DOMZBBRYSA-N	315.373	1.915	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C[C@@H](C)c1ccccc1F	110759342	VWQPYAHIGYGPBM-SECBINFHSA-N	304.325	1.812	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@H]1CCOc2ccc(F)cc21	171762716	KMYGVHYPBQCPPU-NSHDSACASA-N	318.308	1.622	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)CCc1ccccn1	68785700	NNOKCHPDNJTSHK-UHFFFAOYSA-N	323.356	1.432	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)[C@@H]1COc2ccccc2C1	172440574	NUVKRJMYHMNBQK-JTQLQIEISA-N	304.737	1.824	50	20	DDGD	
O=C(CCc1ccncc1)NNC(=O)Cc1ccccc1F	66839605	LBLKXWSNXYVDIE-UHFFFAOYSA-N	301.321	1.543	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncccn1)[C@H]1CCCN(C2CCC2)C1	182831372	RBGVKBPAGCQHOI-OLZOCXBDSA-N	318.425	1.756	50	20	DDGD	
CC[C@H](C)[C@H](C)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	182724827	XZODJLNRVVAWOY-QWRGUYRKSA-N	306.362	1.901	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)COc1ccc(F)cc1)C1CCC1	127838294	GTDKCDYRKBUZOK-JTQLQIEISA-N	309.341	1.724	50	20	DDGD	
O=C(NNc1ccncc1)[C@H]1CCCN1C(=O)Cc1ccccc1	180502727	MUMLSHNDLAKEKX-MRXNPFEDSA-N	324.384	1.758	50	20	DDGD	
Cc1oc(-c2ccco2)nc1CC(=O)NNC(=O)NC(C)C	126105508	OQJIXZHIIRFMCJ-UHFFFAOYSA-N	306.322	1.524	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNc1nnc(-c2ccccn2)s1	188219403	BKXNBWHRUNBAAD-ZDUSSCGKSA-N	307.379	1.594	50	20	DDGD	
COC(=O)c1ccc(CCC(=O)NNc2cccnn2)cc1	77036552	GXEZSBSTBNOQRY-UHFFFAOYSA-N	300.318	1.339	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cccc(C#N)c2C)nc(C)n1	188759805	RMKNHQWQMKHBMI-UHFFFAOYSA-N	324.344	1.355	50	20	DDGD	
CC(C)C[C@H](C)NC(=O)NNC(=O)COc1ccc(F)cc1	133479043	YRIFVVOTIZADPO-NSHDSACASA-N	311.357	1.970	50	20	DDGD	
Cc1nc(CSCC(=O)NNC(=O)NC2CC2)cs1	138685407	WNUJTAVLILKOBT-UHFFFAOYSA-N	300.409	1.178	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC2CCN(CC(C)C)CC2)n1	45464013	FTCJAMIBFRBICF-UHFFFAOYSA-N	320.441	1.840	50	20	DDGD	
CCCCCC(C)(C)CNC(=O)NNC(=O)c1cnn(C)c1	87153326	UTPNXXCTXVUBCR-UHFFFAOYSA-N	309.414	1.971	50	20	DDGD	
CCOC(=O)NNC(=O)c1cnn(-c2ccccn2)c1C(C)C	46669880	BTTMNBJSQNJQKK-UHFFFAOYSA-N	317.349	1.782	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cc(F)ccc1O	80012675	UNLSLPRWWKVXDY-UHFFFAOYSA-N	318.304	1.544	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNC(=O)CSc1ccccc1O	190363221	HCZWJEDIPRYRDQ-UHFFFAOYSA-N	319.386	1.592	50	20	DDGD	
Cc1cccc(F)c1NC(=O)C(=O)NNc1ccnc(F)c1	190299420	UJONAHACGYPVBS-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2cc(C#N)cc(Cl)n2)CC1	92454530	JKHSHVHHOHGVMI-UHFFFAOYSA-N	308.725	1.393	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@@H]2CCn3ccnc3C2)c1	93546552	JQWHGONHFBXMBQ-SNVBAGLBSA-N	316.752	1.509	50	20	DDGD	
O=C(/C=C\SCc1ccco1)NNC(=O)c1ccncc1	255546896	CPBKXUDRAKDGAH-UITAMQMPSA-N	303.343	1.883	50	20	DDGD	
Cc1cccc2nc(CNC(=O)NNC(=O)CC(C)C)cn12	264609372	NYHCUERPUCWYDH-UHFFFAOYSA-N	303.366	1.519	50	20	DDGD	
CCCNC(=O)/C(C#N)=C/c1ccc(OC)cc1OCC(=O)O	265229983	QJQSXZQPUNOVQX-KPKJPENVSA-N	318.329	1.592	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc(NC(=O)N(C)C)cc1Cl	269380399	HBCSOZOCRTYMFS-UHFFFAOYSA-N	313.745	1.007	50	20	DDGD	
CCN1CCC(NC(=O)NNc2ncnc3ccsc23)CC1	268872157	KKZFJRKCIZBTER-UHFFFAOYSA-N	320.422	1.802	50	20	DDGD	
CCC1(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1	267267323	QAPJSOYOCXAVRT-UHFFFAOYSA-N	317.393	1.031	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1C[C@@]12CCOC2	368623550	IZLJYQDUXAFIIG-YNZJMPHRSA-N	322.336	1.167	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2nccn2C1)NC1CCCCC1	364958946	YHRDFZDTGJCEPI-LLVKDONJSA-N	305.382	1.109	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCCC(C)(C)O)c1ccccc1	274922451	LSAKZHRJRWEKJI-ZDUSSCGKSA-N	307.394	1.672	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)CCO1	271909817	RVZSGRFHLROMHG-YPMHNXCESA-N	305.378	1.329	50	20	DDGD	
O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)NNc1c(F)cccc1F	272711397	CRSRRSRAKAPQOO-VIFPVBQESA-N	324.331	1.602	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cnn(C)c2)cc1C1CC1	277598505	MIBWYZLUXPNNPA-UHFFFAOYSA-N	314.345	1.381	50	20	DDGD	
CN1CC[C@H](NC(=O)NNc2cc(Cl)cc(Cl)c2)C1=O	276801579	DTARJODYPQEHAC-JTQLQIEISA-N	317.176	1.850	50	20	DDGD	
COCCn1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2OC)n1	275739317	BQRVOCROBJJADM-UHFFFAOYSA-N	321.289	1.666	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNC(=O)COc1cccc(C)c1	270713835	LZWDBCXTJGVJJB-UHFFFAOYSA-N	322.361	1.111	50	20	DDGD	
CSc1nnc(CNC(=O)NNC(=O)CC(C)C)s1	275398325	HWTJXFPEVWELET-UHFFFAOYSA-N	303.413	1.137	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C[C@@](C)(O)C1CC1)c1ccccc1	270070871	RTACQTXAFQOIGS-WMLDXEAASA-N	304.390	1.879	50	20	DDGD	
CC[C@H]1CC[C@@H](C)N1CC(=O)NNC(=O)Cc1nc(C)cs1	271462278	FGPAZIJPCHBSGI-NEPJUHHUSA-N	324.450	1.404	50	20	DDGD	
CC(C)Cc1cc(C(=O)NNC(=O)c2ccccn2)cc(O)n1	272011230	LYBIGFMUOMHRTD-UHFFFAOYSA-N	314.345	1.456	50	20	DDGD	
Cc1ncc(NC(=O)NNC(=O)CCCc2ccccc2)cn1	273386003	JLXRBXSKBGDLBL-UHFFFAOYSA-N	313.361	1.961	50	20	DDGD	
CCCC(=O)N1CCC[C@@H](C(=O)NNc2cccc(F)n2)C1	286675579	WKWNQCPPZBQRQQ-LLVKDONJSA-N	308.357	1.703	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@@H]2CC=CC[C@H]2C)c1	286960293	DLXMVAUPXJHOAQ-IUODEOHRSA-N	317.389	1.857	50	20	DDGD	
CSCc1noc(CCC(=O)NNc2cccc(F)n2)n1	286691393	XOLNZEAKXGHNOX-UHFFFAOYSA-N	311.342	1.543	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)[C@H]1CCCC(F)(F)C1	286601310	LEZUBYOZTNPCHD-JTQLQIEISA-N	322.319	1.931	50	20	DDGD	
C[C@H]1CCC[C@@H]1NC(=O)NNc1ccc(-n2ccnc2)nn1	287331737	KVUYIQFTGSJYNR-QWRGUYRKSA-N	301.354	1.477	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H]1C(=O)NNc1cccc(C(F)(F)F)n1	287685231	PVHZPEBLVSYXAK-YUMQZZPRSA-N	317.267	1.743	50	20	DDGD	
Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NNc1cccc(F)c1	281748632	YETLXDPXMMQQTQ-MRXNPFEDSA-N	319.336	1.190	50	20	DDGD	
CC(C)(CCC(=O)NNC(=O)CCCc1ccccc1)[N+](=O)[O-]	294744796	YLRWEFSUGJMQSC-UHFFFAOYSA-N	321.377	1.992	50	20	DDGD	
CCCN(NC(=O)C1(C(=O)NC)CCC1)C(=O)OC(C)(C)C	804594962	BBJUQGYXHNYMFI-UHFFFAOYSA-N	313.398	1.581	50	20	DDGD	
C#CCC1(C(=O)NNC(=O)C(C)(OCC)OCC)CCCCC1	807371997	YEQTUSWGLFLPAM-UHFFFAOYSA-N	324.421	1.897	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cc2n(n1)CCC2)c1ccccc1	294649720	POGQCJNPJCGOAS-AWEZNQCLSA-N	312.373	1.784	50	20	DDGD	
Cc1oc(-c2cnn(C)c2)nc1C(=O)NCC(Cl)Cl	294681495	MYQIOIOSLIMCKU-UHFFFAOYSA-N	303.149	1.917	50	20	DDGD	
CCCN(CC)C[C@@H](C)NC(=O)NNc1nc2ccccn2n1	291152662	ZBAWRLIOISMXDB-GFCCVEGCSA-N	319.413	1.476	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cccc2nn[nH]c12	805383514	DXDQDUOGCGEEFS-UHFFFAOYSA-N	312.289	1.931	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H](C)n2cncn2)c(Cl)c1	802048486	RTKPVUALYHFYTQ-SECBINFHSA-N	322.756	1.654	50	20	DDGD	
O=C(C[C@@H]1CCCC(=O)N1)NNC(=O)c1cc2c(s1)CCC2	809145518	ZDODNHMKFQSQLD-JTQLQIEISA-N	321.402	1.057	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNC(=O)c1ccc(CC)cc1	299011429	XKSFKRGHQXMTHS-GFCCVEGCSA-N	308.378	1.452	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2cccnn2)ccc1F	807013812	GYIDNCWOLQFMOJ-UHFFFAOYSA-N	303.297	1.260	50	20	DDGD	
CC[C@@H]1CCC[C@H]1C(=O)NNc1nccc(N2CCOCC2)n1	294839033	FCHGWMVICQZRDC-CHWSQXEVSA-N	319.409	1.583	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)nn1	807942134	JSDOUDMCKSTWJH-UHFFFAOYSA-N	302.294	1.531	50	20	DDGD	
Cc1cccc(OC[C@@H](C)NC(=O)NNC(=O)[C@@H]2CCCO2)c1	291630691	AFUQQTGMGLAUQV-OCCSQVGLSA-N	321.377	1.272	50	20	DDGD	
COCCCNC(=O)NN=Cc1cc(Cl)c(F)cc1O	814819360	HTUFORAAUDGEQM-UHFFFAOYSA-N	303.721	1.854	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)[C@@H]1CC(=O)N(C2CCCC2)C1	817012153	ZYUYCJDFFLHWET-SNVBAGLBSA-N	322.796	1.969	50	20	DDGD	
CC[C@H](C)n1ncc2c(C(=O)NN(C)CCOC)cc(C)nc21	816562337	HZCDJXGCQYFUDF-LBPRGKRZSA-N	319.409	1.934	50	20	DDGD	
CCC[C@@H]1C[C@H]1C(=O)NNc1ncc(C(=O)OCC)c(C)n1	812544668	FXVHLUVXPBFXRT-GHMZBOCLSA-N	306.366	1.841	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)[C@@H]1CCCSC1	810312568	XUQSUJGPAWXZJQ-SNVBAGLBSA-N	305.363	1.718	50	20	DDGD	
COCCC(COC)=NNC(=O)[C@@H](C)CN1CCCCCC1	812225042	PNMNTDQYHSDLES-AWEZNQCLSA-N	313.442	1.654	50	20	DDGD	
CN(NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C1CC1	819646384	WBGFMXQTGLEUQI-UHFFFAOYSA-N	321.402	1.503	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=C1CC[C@H]1C1CCC1	814783614	OYJYVCFEUJMVRT-JTQLQIEISA-N	306.391	1.696	50	20	DDGD	
Cc1oc(Br)cc1C(=O)NNC(=O)NCC1CC1	819163273	IWPMQHIZUCUCIB-UHFFFAOYSA-N	316.155	1.705	50	20	DDGD	
O=C(COc1cccc([N+](=O)[O-])c1)NNc1ncncc1F	817077687	LAWSMCPVGOLTJL-UHFFFAOYSA-N	307.241	1.046	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCCc2cccs2)n1	810583963	JZPNPQKKAATYPK-UHFFFAOYSA-N	315.358	1.201	50	20	DDGD	
Cc1cc(Br)cc(C=NNC(=O)CN(C)C)c1O	814832055	CLRLLDKWXFIXDC-UHFFFAOYSA-N	314.183	1.475	50	20	DDGD	
O=C(NN=C1CCC(C(=O)O)CC1)c1cccc([N+](=O)[O-])c1	814684049	BMUVCBOWDBGSFA-UHFFFAOYSA-N	305.290	1.955	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccc(OCc2ccccc2)nc1	816770699	INJUOYGJSFEWKY-UHFFFAOYSA-N	324.344	1.546	50	20	DDGD	
Cc1cnc(O)n1-c1ccc(C(=O)NNC(=O)CC2CC2)cc1	819109871	MYSPBGXPCBZKDU-UHFFFAOYSA-N	314.345	1.447	50	20	DDGD	
COc1ccc(NC(=O)NN=C(C)c2ccc(O)nn2)cc1	814999444	YXVKRLCPPLVLFX-UHFFFAOYSA-N	301.306	1.737	50	20	DDGD	
COC(=O)NCC(=O)NNC(=S)Nc1ccccc1C(C)C	727171891	AAASXXXJYIUHTJ-UHFFFAOYSA-N	324.406	1.484	50	20	DDGD	
N#C/C(=C/c1cn(CC(=O)O)nn1)c1cc(C(F)(F)F)ccn1	812246934	XAXKUGKYOOPLOB-BAQGIRSFSA-N	323.234	1.841	50	20	DDGD	
CCn1nncc1C(=O)NNc1ccc(Br)cc1	815851380	CFYRRBRUSDAFBQ-UHFFFAOYSA-N	310.155	1.817	50	20	DDGD	
CC(=NNC(=O)c1cccnc1)c1cccc(-n2cnnc2)c1	814686906	GFXFCIBKFYVPGV-UHFFFAOYSA-N	306.329	1.816	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@H]1CCCCC1(F)F	826884085	BAYZNINUEGLVAB-HBNTYKKESA-N	319.352	1.567	50	20	DDGD	
CC(C)(C)C[C@H](NC(=O)NNC(=O)c1cc[nH]n1)C(F)(F)F	822598644	ORPRMWXMXMRENM-QMMMGPOBSA-N	321.303	1.721	50	20	DDGD	
COCCn1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cn1	491162845	UKSHXBHMYKUCOR-CXUHLZMHSA-N	310.357	1.753	50	20	DDGD	
Cc1cc(Cl)c(C(=O)NNC(=O)NC2CC2)cc1[N+](=O)[O-]	823768001	MWPHMLNPVKBHOV-UHFFFAOYSA-N	312.713	1.663	50	20	DDGD	
CC(=O)N[C@@](C)(C(=O)NNc1ncc(F)cc1F)C(C)C	822243567	RJTOSAQBWAWFTF-CYBMUJFWSA-N	300.309	1.354	50	20	DDGD	
CO[C@@]1(CNC(=O)/C(C#N)=C/c2ccc(O)cc2)CCOC1	491051554	SPBGPUZUNPRENP-WDBUWWRISA-N	302.330	1.221	50	20	DDGD	
CCCCC[C@H](O)C(=O)NNC(=O)NCCc1cccs1	822785975	JPGAFSXJJAEDIS-LBPRGKRZSA-N	313.423	1.562	50	20	DDGD	
C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)/C(C#N)=C\c1cnn(C)c1	491051199	RSURDJVPIKBYPY-WJYHIDLVSA-N	313.405	1.412	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1ccc(N2CCOC2=O)cc1	727647722	DZHHGHGHLJCDJE-UHFFFAOYSA-N	304.350	1.045	50	20	DDGD	
COc1cc(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)ccc1C	825891547	ZGSKGJBHYNBVLN-DGCLKSJQSA-N	321.377	1.259	50	20	DDGD	
N#C[C@H]1CC[C@@H](NC(=O)NNC(=O)c2cccc(Cl)c2)C1	823886484	SHTXRHFOMXPTEK-JOYOIKCWSA-N	306.753	1.976	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCc2ncnc(O)c2C1	490693107	IJAAMRAOPXYVKR-GHXNOFRVSA-N	324.315	1.813	50	20	DDGD	
O=C(C[C@H]1CC(=O)N1)NNC(=O)c1c(Cl)cccc1Cl	825768485	OGSXKSAZNDLJFK-ZCFIWIBFSA-N	316.144	1.033	50	20	DDGD	
Cn1nccc1/C=C(\C#N)C(=O)c1cccc(-c2nn[nH]n2)c1	826366791	XUUYJJJLQVOZON-XYOKQWHBSA-N	305.301	1.390	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC(N2CCOC[C@@H]2C)CC1	820124648	DHBGMROHHYRRDC-REQDGWNSSA-N	307.394	1.142	50	20	DDGD	
COCCCN(C)CCNC(=O)/C(C#N)=C/c1ccc(F)cc1	490839140	CHOZPPGCKQXKQE-NTCAYCPXSA-N	319.380	1.817	50	20	DDGD	
Cn1cccc1C(=O)NN=Cc1ccc(-c2nn[nH]n2)s1	822690390	XNSWYXMVNWIOOZ-UHFFFAOYSA-N	301.335	1.031	50	20	DDGD	
Cc1ccc(OC(F)F)c(CNCc2ccc(B(O)O)cc2)c1	585031257	TYCSCEIZWNHKGH-UHFFFAOYSA-N	321.132	1.566	50	20	DDGD	
C[C@H](CC(C)(C)c1ccccc1)NCc1ccc(B(O)O)o1	585021053	OHFFISXQRNRZGP-CYBMUJFWSA-N	301.195	1.805	50	20	DDGD	
O=C(C[C@@H]1CCc2ccccc21)NNC(=O)N1CCOCC1	734429113	JTTUPKHDXDVXLX-ZDUSSCGKSA-N	303.362	1.180	50	20	DDGD	
CCO/C=C\C(=O)NNC(=O)[C@@H](C)Oc1ccc(OCC)cc1	492878815	ANATYZWQCFNOFP-NLYDNYMLSA-N	322.361	1.550	50	20	DDGD	
C[C@]1(c2cccs2)C[C@@H]1CNC(=O)c1ccc(B(O)O)cc1	584944788	NAVUGONIMNVEES-WBMJQRKESA-N	315.203	1.136	50	20	DDGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2cnnn2C)cc1	490702731	ZWRUDHUENYDTFU-KAQJVSAMSA-N	311.345	1.608	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc2c(nc1O)CCCCC2	737816495	MBMQVVWHAVMBCY-UHFFFAOYSA-N	318.377	1.410	50	20	DDGD	
C=CCN1C(=O)C(=NNC(=O)[C@@H]2CCCCO2)c2ccccc21	834990345	PNSPQOPFWXXLTC-AWEZNQCLSA-N	313.357	1.609	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)C[C@@H]1C[C@H]2CC[C@H]1O2	836554687	PVJKRETUJYTELF-RRFJBIMHSA-N	302.374	1.724	50	20	DDGD	
C[C@@H](CN1CCCCCC1)C(=O)NN=C1CCn2ccnc21	834935306	QXRWQHGPBYGYJK-ZDUSSCGKSA-N	303.410	1.619	50	20	DDGD	
CC(C)Oc1cncc(C(=O)NNC(=O)[C@H]2CCCCO2)c1	833246879	TWQPMDMERVQRCX-CYBMUJFWSA-N	307.350	1.199	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H](O)CCSC)c(F)c1	837207599	QIGLZMKUSXLQMF-NSHDSACASA-N	316.354	1.169	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)NCc1ccc(C(=O)O)cc1	736429181	SWSFFOQAMBIQLH-UHFFFAOYSA-N	307.350	1.651	50	20	DDGD	
COCc1ccccc1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	831235749	MFJFNIXDTQNOMI-ZYHUDNBSSA-N	307.350	1.411	50	20	DDGD	
CC(=O)N1C[C@H]2CN(C(=O)[C@]3(C)C[C@H]3Br)C[C@H]2C1	908370227	IMKSNEUGWJSLBM-LSCVPOLPSA-N	315.211	1.097	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)[C@H]2CCCCO2)nc1C	838750333	BGRYYNFTOCEMSA-CYBMUJFWSA-N	306.366	1.098	50	20	DDGD	
COCCOc1ccc(C=NNC(=O)Cn2nc(C)cc2C)o1	901148954	DILBAQOQSWZCED-UHFFFAOYSA-N	320.349	1.268	50	20	DDGD	
O=C(NN=Cc1ccc2ncccc2c1)[C@@H]1CCS(=O)(=O)C1	730577102	ZUJJVIHCINZUTR-CYBMUJFWSA-N	317.370	1.120	50	20	DDGD	
CNC(=O)NNS(=O)(=O)c1c(Cl)ccc(C)c1Cl	919961148	VCZPHHMUFKRXSL-UHFFFAOYSA-N	312.178	1.424	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)CCCn1cccn1	732301595	FDCAOHMJCWGENZ-UHFFFAOYSA-N	322.390	1.210	50	20	DDGD	
Cc1ccc([C@@H](NC(=O)c2ccc(B(O)O)cc2)C(C)(C)C)o1	584947659	XHEVFXHWFWYPMH-OAHLLOKOSA-N	315.178	1.785	50	20	DDGD	
CO[C@H](C=NNC(=O)Cc1ccccc1F)C1CCOCC1	834956650	NXJYYTAMQLTRJH-OAHLLOKOSA-N	308.353	1.912	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNC(=O)Cc1ccc(F)cc1	836605181	KNGRFIOEYDZDFO-OLZOCXBDSA-N	307.325	1.042	50	20	DDGD	
CC(C)(C)[C@@H](Cc1ccccc1)NCc1ccc(B(O)O)o1	585024068	STPWNOZQJXBITA-OAHLLOKOSA-N	301.195	1.706	50	20	DDGD	
CN(NC(=O)c1ccc(-n2cccn2)nc1)C(=O)OC(C)(C)C	838363408	BRVJVOCZNGPULR-UHFFFAOYSA-N	317.349	1.779	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2CCO[C@@H](c3ccccc3)C2)c1	585036925	SRZCUCQIGKYJFZ-QZTJIDSGSA-N	311.190	1.376	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1cc(C2CC2)ccc1F	838635311	BZKOSTNOPOEDHY-UHFFFAOYSA-N	309.341	1.570	50	20	DDGD	
CN(CCCCNCc1cccc(B(O)O)c1)c1ccccc1	585018788	SJNCSFYRYWPZNN-UHFFFAOYSA-N	312.222	1.373	50	20	DDGD	
Cc1nn(CCC(=O)O)c(C)c1C=NNC(=O)c1ccncc1	738923562	XLLLYSMRFNRJDS-UHFFFAOYSA-N	315.333	1.134	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1ccc(F)nc1)c1ccccc1	733933703	HTOVZJLMCXKGBN-UHFFFAOYSA-N	301.321	1.960	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)N[C@H](C)CS(C)(=O)=O	838471862	LQZNCTAFQBNNEN-SECBINFHSA-N	319.814	1.708	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)c1cccc2cccnc12	837378702	ZCOFENYADHRHHI-ZLKJLUDKSA-N	323.352	1.611	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNC(=S)N[C@@H](C)C2CC2)s1	912158991	BILWCZQCHGDIII-ZETCQYMHSA-N	312.464	1.596	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@]2(C)CCCCO2)c(C)c1	839482838	MWYAQBYKHYAVNP-KRWDZBQOSA-N	319.405	1.822	50	20	DDGD	
O=C(CN1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1)NNC(=O)c1cccs1	830277956	FXYOKDDKPHFSTO-ZDEQEGDKSA-N	317.414	1.263	50	20	DDGD	
CCSc1ccc([N+](=O)[O-])cc1C(=O)NN(C)CCOC	837627791	ZQCQIDPNFOOOGK-UHFFFAOYSA-N	313.379	1.930	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@H]1CCOC2(CCC2)C1	912107647	OUFJINSUHMGHQS-LBPRGKRZSA-N	311.451	1.631	50	20	DDGD	
COC(=O)c1cc(NNC(=O)N[C@@H](C)CCCN)ccc1F	842000319	VKKNVHBWGUSVSS-VIFPVBQESA-N	312.345	1.366	50	20	DDGD	
N#Cc1ccc(CCC(=O)NNC(=O)NC2CCCC2)cc1	744059430	GLTTYDHAJDLGCD-UHFFFAOYSA-N	300.362	1.764	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@H]2CCN[C@@H](C)C2)cc1F	841990063	XXSHVLJBQTWKST-UWVGGRQHSA-N	324.356	1.379	50	20	DDGD	
C[C@@H]1CC2(CCOCC2)CN1C(=O)/C(C#N)=C/c1cnn(C)c1	844093940	LRPHAFOALSRSNC-BKNIFWKGSA-N	314.389	1.745	50	20	DDGD	
O=C(NNc1ncncc1F)[C@H]1CCO[C@H](c2ccccc2)O1	848122493	MXISVTVXJYOBOT-DOMZBBRYSA-N	318.308	1.563	50	20	DDGD	
CC(C)[C@@H]1CCCC1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	747753605	JYZGTKDZMKSFAS-MNOVXSKESA-N	301.412	1.285	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=C1CC(C(=O)O)(c2ccccc2)C1	842549076	GPGDZNQPHBEVJN-JJNQEZICSA-N	316.357	1.700	50	20	DDGD	
CN1CCCN(CC(=O)NNC(=O)C(C)(C)C)c2ccccc21	744406773	IBAURUWZBBYEIR-UHFFFAOYSA-N	318.421	1.526	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC([C@@H](F)C(=O)O)C1	910131805	KKYRGBLATTXINV-SFYZADRCSA-N	310.163	1.677	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1ccc(C#N)s1	749534346	HYRBBKKDYWYZET-UHFFFAOYSA-N	321.383	1.780	50	20	DDGD	
CCCN1C[C@@H](C(=O)OC[C@H](C)CBr)CC1=O	840665829	FEQGAWWACGUZCA-ZJUUUORDSA-N	306.200	1.819	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@]12CCCc1ccccc12)c1ncccn1	841350679	QKIJPCOUFQDBEZ-RDTXWAMCSA-N	322.368	1.532	50	20	DDGD	
Cc1nc(Cl)sc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843652111	HVCISJUJTYDYAN-RQJHMYQMSA-N	303.771	1.291	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H](c1ccccc1)n1cccn1	748718967	SQRUVZAAYVLZDA-AWEZNQCLSA-N	315.377	1.603	50	20	DDGD	
NC(=O)c1c[nH]c(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)c1	748725652	HLRBZQBLQODCKP-UHFFFAOYSA-N	323.696	1.432	50	20	DDGD	
CCOCCCNC(=O)NNC(=O)c1cn(C)c2ccccc12	913630352	OARGZKJWKZZVGR-UHFFFAOYSA-N	318.377	1.549	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](CO)CCF)cc1	846566330	GNDZJTPOIJEZBH-XXYUJHKVSA-N	306.337	1.829	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)C2=COCCO2)c1	745204673	HBEFTZLPQGAGJS-UHFFFAOYSA-N	311.338	1.340	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NN=Cc1ccc(C(=O)O)[nH]1	749809187	BVDZRSGFQAMJLP-SECBINFHSA-N	319.292	1.770	50	20	DDGD	
O=S(=O)(NC1CCNCC1)c1ccc(CCCCl)cc1	842677812	XIPDEMWSFWULJG-UHFFFAOYSA-N	316.854	1.888	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@H](C(=O)NNc2ncccc2[N+](=O)[O-])C1	759294983	YAWXGUHGXJZSPU-VHSXEESVSA-N	322.321	1.412	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(C2CC2)nc2c1c(C)nn2C	920858532	CSRMEEHHRPTQEF-UHFFFAOYSA-N	316.365	1.118	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c(C)s1	853388591	KKNHNXMGLCTDOR-KGLIPLIRSA-N	307.419	1.678	50	20	DDGD	
COc1cccc2c1CCC(=NNC(=O)C(=O)NC(C)C)C2	754916440	FIWYKNPNLDWECP-UHFFFAOYSA-N	303.362	1.181	50	20	DDGD	
Cc1cc(C=NNC(=O)CNC(=O)c2cccs2)c(C)n1C	754942877	INVULQATRGVRLU-UHFFFAOYSA-N	318.402	1.584	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CN(C)[C@@H]1CCSC1	757987816	GJTJPPJCNJFHBA-GFCCVEGCSA-N	307.419	1.193	50	20	DDGD	
CCSc1ccccc1C(C)=NNC(=O)C(=O)NC1CC1	759649013	SFHKEWWGVWRKNF-UHFFFAOYSA-N	305.403	1.917	50	20	DDGD	
CCCNC(=O)[C@H]1CCCN(C(=O)NNC(=O)C2CCCC2)C1	753333650	ALDIFWKNXQGFLS-ZDUSSCGKSA-N	324.425	1.156	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1ccc2c(c1)ncn2C	924681208	YNVZJUNLEDCUSE-UHFFFAOYSA-N	303.366	1.450	50	20	DDGD	
Cc1nc([C@H](C)NC(=O)NC[C@]2(C)C[C@H]2Br)n[nH]1	856957945	IEDCHUVOGJIUGS-QXHCQDJKSA-N	316.203	1.647	50	20	DDGD	
CC(C)Cn1nccc1C(=O)NNC(=O)c1cccc(Cl)n1	857324864	NJIAKCRPTAIFTL-UHFFFAOYSA-N	321.768	1.662	50	20	DDGD	
CO[C@@H]1COC[C@@H]1NC(=O)NNc1c(F)cc(F)cc1F	922859865	AHBCRJCWCLLPHW-VHSXEESVSA-N	305.256	1.144	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)c1c[nH]nc1C	755337044	ATNQVATYAZKRGU-UHFFFAOYSA-N	318.293	1.401	50	20	DDGD	
O=C(NC[C@H]1CCN1Cc1ccccc1)NNc1ccccn1	852701526	CUGZWWLSUKDSIS-OAHLLOKOSA-N	311.389	1.982	50	20	DDGD	
Cc1c[nH]cc1C(=O)OCC(=O)NNC(=O)c1cccs1	920579980	JCRJDQXRDAHOIB-UHFFFAOYSA-N	307.331	1.003	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)N2C[C@H]3CC[C@H]2C3)C[C@H]1Br	856754682	LVZFSFFVYFUUCO-MMWGEVLESA-N	323.256	1.479	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC(F)(F)C[C@@H]1C	859837190	BMDPKCTXODJWLS-QWRGUYRKSA-N	305.369	1.688	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2ccc(O[C@@H]3CCOC3)cc2)cn1	853309075	GEPHCPLCGABPEM-OAHLLOKOSA-N	314.345	1.352	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@H]2CC(C)=NO2)cc1	854188764	JZFNNBDWGKMERQ-GFCCVEGCSA-N	322.390	1.568	50	20	DDGD	
CCOC(=O)C[C@@H](O)COC(=O)/C(C#N)=C\c1ccc(O)cc1	859580061	IDBDOLJPXRASAC-YRBHFNIASA-N	319.313	1.156	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCCn2cncn2)c1C	855627515	RAPKSLWKUHCBEK-UHFFFAOYSA-N	317.349	1.297	50	20	DDGD	
CO[C@H]1CCCCC1=NNC(=O)CCCNC(=O)C(C)(C)C	853409292	SVSYNSIXRUDQOC-ZDUSSCGKSA-N	311.426	1.990	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H](C)[C@H]2CCOC2)c1C	853785567	FISIPHKIGATCLC-NEPJUHHUSA-N	321.377	1.833	50	20	DDGD	
CCC(=O)NNC(=O)Nc1nnc(Cc2cccc(F)c2)s1	756463770	CZDZXJYMLJKYMF-UHFFFAOYSA-N	323.353	1.831	50	20	DDGD	
CS(=O)(=O)c1ccc(F)c(C(=O)NNc2ccccc2)c1	756018288	UQEBBMOPGRJQGJ-UHFFFAOYSA-N	308.334	1.986	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H](OC)C2CC2)c1C	854091482	BNKMMWJEPASHBJ-AWEZNQCLSA-N	321.377	1.833	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccn([C@@H](C)c2ccccc2)n1	757682252	JJPOERDLKRGDHB-NSHDSACASA-N	317.349	1.292	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1noc2c1COCC2	857846410	KSHPTSAZEVTWQI-UHFFFAOYSA-N	320.257	1.883	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNc1ccc(C)c(C(=O)OC)c1	857263966	IYMNPSYDIZQDSU-OCCSQVGLSA-N	304.346	1.816	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)Cc1ccc(O)cc1	751367945	UPZPXANQZPIFAY-UHFFFAOYSA-N	318.304	1.300	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCC[C@H]1CCOC1=O	754540996	MFDGJDFBSLIBOC-FNWMBBJUSA-N	301.298	1.796	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21	936036519	ROCDXBPSJNJPTP-AIDNBVJZSA-N	314.385	1.677	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1C[C@H]2CC[C@H]1[C@H]1CNC[C@H]21	866802465	MEBVLKYZALACHB-NDBYEHHHSA-N	320.886	1.511	50	20	DDGD	
C[C@@H](NNC(=O)c1ccnc(OCC(F)F)c1)C(F)(F)F	862315018	OSFWNZDGACAUGS-ZCFIWIBFSA-N	313.226	1.911	50	20	DDGD	
Cc1cc(C(=O)NN[C@H](C)C(F)(F)F)c2c(O)nn(C)c2n1	862307135	IPKPKTXAECODKS-ZCFIWIBFSA-N	317.271	1.168	50	20	DDGD	
CCC[C@@H](C(=O)NNC(=O)Cc1cc(C)[nH]n1)c1ccccn1	869015151	FTLNJIJPDMWTBL-CYBMUJFWSA-N	315.377	1.387	50	20	DDGD	
COc1ccc(C(=O)NN[C@@H](C)C(F)(F)F)cc1[N+](=O)[O-]	862303370	PYCNIKUFGQJBRQ-LURJTMIESA-N	307.228	1.789	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC2(CCNCC2)C1	866760504	UBJIEHYFTRYHRO-UHFFFAOYSA-N	308.875	1.657	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ncc2n1CCCC2	867225095	JXUGGSIYMZKLJA-UHFFFAOYSA-N	314.345	1.763	50	20	DDGD	
CCOC(=O)c1ccc(NC(=O)NNc2cnccn2)cc1	769957619	LRJDRYQHEVFQKB-UHFFFAOYSA-N	301.306	1.802	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21	935869160	LWSBOOLCXDWTOZ-NJZULAAPSA-N	310.394	1.215	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H]2CCC(F)(F)C2)n1	763709914	YEZJLLPRKINIQK-QMMMGPOBSA-N	301.297	1.608	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cc(C)sn2)cc1	767429412	XKEZLLBQPPSGCN-UHFFFAOYSA-N	305.359	1.600	50	20	DDGD	
C[C@@H](NNC(=O)c1cc(=O)c2ccccc2n1C)C(F)(F)F	869376210	CPWYARGMRFPOEF-MRVPVSSYSA-N	313.279	1.724	50	20	DDGD	
CCO[C@@H]1COCC[C@@H]1NC(=O)NNc1cccc([N+](=O)[O-])c1	760130548	HWERWVDKHWIJIY-QWHCGFSZSA-N	324.337	1.415	50	20	DDGD	
CC(=NNC(=O)CS(C)(=O)=O)c1ccc(F)cc1Cl	863188497	WRQJNJOLRMQHAD-UHFFFAOYSA-N	306.746	1.364	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)c1cccnc1	762360424	BIVFNJHVEKKMJB-UHFFFAOYSA-N	317.370	1.644	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cc(F)c(N(C)C)cc2F)n[nH]1	863076727	FUZAWAJCCCHDPR-UHFFFAOYSA-N	321.331	1.755	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cccc(N(C)C)c1)c1ccc[nH]1	760352982	BTGKGGDKVQOUTJ-NSHDSACASA-N	315.377	1.786	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1cccnc1)c1ccc(F)c(F)c1	1116131083	GGDZIARKQQFZFV-SNVBAGLBSA-N	319.311	1.853	50	20	DDGD	
C[C@H](NNC(=O)c1cccnc1N1CCOCC1)C(F)(F)F	862306489	LKRXKZIMQRJALA-VIFPVBQESA-N	318.299	1.103	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1[C@H]2CCC[C@H]1CC(N)C2	866743604	VIMHSSDTDDKVEK-RYUDHWBXSA-N	308.875	1.925	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)no1	763997461	VQLYDQYTVXMNMF-UHFFFAOYSA-N	317.301	1.602	50	20	DDGD	
Cc1nn(C)c(C)c1OCC(=O)NNc1nc2ccccc2[nH]1	768504343	OQHDRZJJROLSGG-UHFFFAOYSA-N	314.349	1.435	50	20	DDGD	
COC(=O)C1(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)CC1	766337328	BQSFGCHLIIYUGQ-UHFFFAOYSA-N	320.389	1.303	50	20	DDGD	
CC(Cc1ccccc1C)=NNC(=O)CNC(=O)c1cccnc1	763199248	OFNDDOLNTVFTGW-UHFFFAOYSA-N	324.384	1.855	50	20	DDGD	
COCCc1ncc(C=NNC(=O)OCC(F)(F)F)s1	872390164	DQVKWIQGWMHASX-UHFFFAOYSA-N	311.285	1.954	50	20	DDGD	
O=C(CCN1CCOC1=O)NNc1cc(Cl)ccc1F	871272264	OSLJYXGHWCQNLF-UHFFFAOYSA-N	301.705	1.765	50	20	DDGD	
C=CCOc1cccnc1C(=O)NNC(=O)c1ccc(C#N)cc1	775528741	CGWYYHAWQPWAHN-UHFFFAOYSA-N	322.324	1.593	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)/C=C(\C)C2CC2)cn1	874954251	QTKVXYWITABLJW-VQHVLOKHSA-N	306.391	1.764	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@](C)(O)C1CCC1	873770277	FWAGFFLEFZKPND-OAHLLOKOSA-N	323.418	1.564	50	20	DDGD	
CCCCC1CCC(C(=O)NNC(=O)N2CCN(C)CC2)CC1	773672050	DHQGTBSTUCUKMK-UHFFFAOYSA-N	324.469	1.971	50	20	DDGD	
Cc1conc1NC(=O)C(=O)NNc1ncnc2ccsc12	1116705043	WLJLCLDMLVITND-UHFFFAOYSA-N	318.318	1.070	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cnc(C2CCCC2)s1	779823117	LOTMRZOWUUUDAT-UHFFFAOYSA-N	310.379	1.607	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Nc1ccnc(C)n1	776500064	KIKGETYDEXNIHJ-UHFFFAOYSA-N	315.333	1.189	50	20	DDGD	
COC[C@@H](C)NC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	770331483	VXDNAFANCMFBFJ-YPMHNXCESA-N	323.393	1.436	50	20	DDGD	
CCCn1cc(C=NNC(=O)[C@@H](C)CN2CCC(C)CC2)nn1	872335426	PDKZOVUPYJSYTE-AWEZNQCLSA-N	320.441	1.506	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cccnc1Br	872383156	ACMFEOYJNLWTKY-WCBMZHEXSA-N	312.167	1.719	50	20	DDGD	
Cc1cc(C)n2nc(C(=O)NNc3cc(Cl)ccn3)nc2n1	778453612	QJOBSOYZBVHRGM-UHFFFAOYSA-N	317.740	1.546	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2cccc3[nH]ncc23)n1	773868135	YQOCYCYGMMMWCE-UHFFFAOYSA-N	303.713	1.345	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Nc1ccncn1	770764471	XVEPKQUKCIXHFU-SECBINFHSA-N	319.296	1.236	50	20	DDGD	
Cc1cc([C@@](C)(O)CNS(=O)(=O)CCCCl)c(C)o1	881933409	VCMUFOMCNZPBMI-LBPRGKRZSA-N	309.815	1.652	50	20	DDGD	
O=C(CCNS(=O)(=O)CCCCl)OCc1ccccc1	881993897	GWBJXRGVWHDMPW-UHFFFAOYSA-N	319.810	1.668	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)CCc1ccco1	788230259	LNWVKNCZWSXKLO-UHFFFAOYSA-N	309.347	1.003	50	20	DDGD	
CSCCCCCNC(=O)NNC(=O)C1CCOCC1	883582579	XMYGAOCRKUZFNF-UHFFFAOYSA-N	303.428	1.277	50	20	DDGD	
Cc1ocnc1C(=O)NNc1nnc(-c2ccccn2)s1	788555370	PWYXALYRIHZTML-UHFFFAOYSA-N	302.319	1.653	50	20	DDGD	
O=S(=O)(CCCCl)N1CCOCC2(CCOCC2)C1	882062667	MDPVMYUYXWAIMK-UHFFFAOYSA-N	311.831	1.074	50	20	DDGD	
Cc1ncc(NC(=O)C(=O)NNc2ccc(Cl)nc2)s1	784870294	LZKWPPJGFTXTHT-UHFFFAOYSA-N	311.754	1.582	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2cc(Br)ccc2F)N1	885145795	FEQUDXNUTSQUIY-MRVPVSSYSA-N	316.130	1.310	50	20	DDGD	
CC(C)Cn1cc(C(=O)NNc2ccnc(N(C)C)n2)cn1	782118924	ZMMPGTOKEBXKMJ-UHFFFAOYSA-N	303.370	1.152	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1ccc2cncn2c1	785707657	DDIVUIVIYDCXEV-UHFFFAOYSA-N	319.324	1.890	50	20	DDGD	
O=C(Cc1cncs1)NNc1nc(-c2cccnc2)no1	783621217	BBCYQDFSHQJSCF-UHFFFAOYSA-N	302.319	1.274	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)Cc2ccn(C)n2)c1	788254378	HVSHQODVPPBHFJ-UHFFFAOYSA-N	316.365	1.199	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)N[C@@H](c1ccncc1)C1CC1	899008069	YIPSTUXVIUBTMH-CQSZACIVSA-N	323.360	1.902	50	20	DDGD	
CCC(=O)N1CCC[C@H](C(=O)NNc2ccc(C#N)cn2)C1	899663313	CNTHQGSRRXTUHC-LBPRGKRZSA-N	301.350	1.045	50	20	DDGD	
O=Cc1c(F)ccc(OS(=O)(=O)CBr)c1F	795255602	CBXUTAPGAGSQCI-UHFFFAOYSA-N	315.091	1.838	50	20	DDGD	
Cn1cc(C(=O)NNC(=S)NC(C)(C)C)c(C(F)F)n1	899996815	UIKWNWFSTAISLK-UHFFFAOYSA-N	305.354	1.265	50	20	DDGD	
CCc1cccc(OCC(=O)NNC(=O)c2cccc(C)n2)c1	794090804	ZSVCUVBQFWOSMZ-UHFFFAOYSA-N	313.357	1.792	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2ccc(F)c(F)c2)n1	794089760	JKTOXNWYSREJHF-UHFFFAOYSA-N	305.284	1.672	50	20	DDGD	
COc1ccc(NNC(=O)Cc2cnn(C)c2C)c([N+](=O)[O-])c1	794393721	SIJBJDMONDRXTA-UHFFFAOYSA-N	319.321	1.331	50	20	DDGD	
CC(C)[C@H](C=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1	794487605	AHTDQVJGKGBIBC-GJZGRUSLSA-N	322.430	1.963	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NNc1cnccn1	793850548	GQVCGZQYVDCSMC-NSHDSACASA-N	321.381	1.565	50	20	DDGD	
C=C(CBr)COC(=O)CNC(=O)c1cccs1	795352594	ICGIHDALKMUTQA-UHFFFAOYSA-N	318.192	1.972	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1	791027368	RBCSZOQPZXPXSP-SNVBAGLBSA-N	317.315	1.653	50	20	DDGD	
C[C@@H]1CSCC1=NNC(=O)Cc1nc2ccccc2n1C	794872329	DJERMBBTBXJHOP-SNVBAGLBSA-N	302.403	1.971	50	20	DDGD	
CN1CCN(C(=O)NN=C/C=C\c2ccccc2[N+](=O)[O-])CC1	790173847	JDHDHSWCWQKXCH-MMQVGAAWSA-N	317.349	1.551	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H](F)CC1CCCCC1	793208558	XVVFJMUXROEIRO-LBPRGKRZSA-N	303.378	1.662	50	20	DDGD	
Cc1nn(C(C)C)c(C)c1CC(=O)NNC(=O)C1CCCC1	794223260	XBUSMLAIKIQUFN-UHFFFAOYSA-N	306.410	1.961	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=C2C(=O)OC[C@@H]2C)o1	794899067	GYCFXKCHKCWESN-JTQLQIEISA-N	307.350	1.400	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCCCCC1)c1ccc(O)nn1	790149766	PWTCHTOCWIVZLK-GFCCVEGCSA-N	319.409	1.535	50	20	DDGD	
CSSCCNC(=O)NCc1ccc(-n2cncn2)nc1	790671952	KNBYXWTUVQFCIK-UHFFFAOYSA-N	324.435	1.473	50	20	DDGD	
Cc1nn(CCO)c(C)c1C=NNC(=O)c1ccccc1Cl	1084363964	KAXHLLGMHYSDQR-UHFFFAOYSA-N	320.780	1.910	50	20	DDGD	
CN(C)Cc1cc(C(=O)NNC(=O)c2cccc(Cl)c2)no1	1319972861	KOHCCJKKBMNLQR-UHFFFAOYSA-N	322.752	1.464	50	20	DDGD	
O=C(NN=Cc1cccc2nccn12)c1n[nH]c2c1CCCC2	1319288736	CDYAIWRHDNUIJX-UHFFFAOYSA-N	308.345	1.700	50	20	DDGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)c1ccc[n+]([O-])c1	1317668770	XBYXMYPLGGJXEN-UHFFFAOYSA-N	322.777	1.605	50	20	DDGD	
CC[C@@H](C)CC[C@@H](O)CC(=O)NNc1nncc(N)c1Cl	1326836210	RVZDBWSCYCASPW-RKDXNWHRSA-N	315.805	1.733	50	20	DDGD	
N#CCc1ccccc1CC(=O)NNc1nncc(N)c1Cl	1324966699	HLPFPILKNVWFDY-UHFFFAOYSA-N	316.752	1.464	50	20	DDGD	
CC[C@H](C)n1ncc(NC(=O)NNC(=O)CCO)c1C1CC1	1321215481	RSCXGQUNNMYNFF-VIFPVBQESA-N	309.370	1.267	50	20	DDGD	
COC(=O)C(=O)NN=Cc1cc(C)n(-c2ccccc2F)c1C	1325854584	PIKIEKSKEFNDNH-UHFFFAOYSA-N	317.320	1.856	50	20	DDGD	
O=C(Cc1ccc(Br)cc1)N1CC[C@@H](B(O)O)C1	585071307	PZZVWGPPRHIZQP-SNVBAGLBSA-N	311.972	1.067	50	20	DDGD	
O=C(CNS(=O)(=O)c1ccccc1)NNc1ccc(F)cc1	1323924010	UGLUOVFPVIVRKV-UHFFFAOYSA-N	323.349	1.247	50	20	DDGD	
CC(C)N(C)C[C@H](C)NC(=O)NNc1nncc(N)c1Cl	1324662452	PKWXWKKDJXCSAT-QMMMGPOBSA-N	315.809	1.067	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(C(F)(F)F)ccn1)[C@H]1CCC(=O)N1	1329487216	WMFOQSFGOMWDSO-VXNVDRBHSA-N	316.283	1.458	50	20	DDGD	
N#CCOc1ccc(NC(=O)C(=O)NNc2ccccc2)cc1	1320046228	FRHQWQBPTWVFAM-UHFFFAOYSA-N	310.313	1.671	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2sc(C)nc2C)nc(C)n1	1320869438	YFPSLTWLXWXQHH-UHFFFAOYSA-N	320.378	1.249	50	20	DDGD	
CNc1nc(C)cc(C(=O)NNC(=O)c2ccccc2Cl)n1	1322541991	CJPZYSXSNKZIAN-UHFFFAOYSA-N	319.752	1.555	50	20	DDGD	
CC(CCCCO)=NNC(=O)c1nnc(O)c2ccccc12	1336697663	JENXDUWDNLQRHY-UHFFFAOYSA-N	302.334	1.604	50	20	DDGD	
CC1(N2CCCC2)CCC(=NNC(=O)c2ncccn2)CC1	1336975983	LPSXNHKCMPCMDH-UHFFFAOYSA-N	301.394	1.991	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)[C@@H]2CC(c3cnn(C)c3)=NO2)c1	1262615168	CRLYAKBXYJMCCI-HNNXBMFYSA-N	313.361	1.673	50	20	DDGD	
Cc1ccccc1NNC(=O)CNC(=O)c1cc(Cl)ccn1	1340329911	OWKWOIYZJZLZSO-UHFFFAOYSA-N	318.764	1.917	50	20	DDGD	
CN(CCCOc1ccccc1)C(=O)NNC(=O)c1cn[nH]c1	1348123632	ZHVLYOZYLJOYNL-UHFFFAOYSA-N	317.349	1.165	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)N[C@H]2C=CCCC2)c1	1340262934	SYEINUQQVKYQTQ-LBPRGKRZSA-N	319.361	1.757	50	20	DDGD	
Cc1noc(Cl)c1CC(=O)NNC(=O)OCC(F)(F)F	1261755249	ZPDIAABHDNCBRZ-UHFFFAOYSA-N	315.635	1.499	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@]2(C(=O)O)CC2(C)C)ccc1C	1604375870	CJSQFUZNMJHYNF-MRXNPFEDSA-N	320.345	1.726	50	20	DDGD	
O=C(O)CC1(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCC1	1606071507	DZCXTHLJSBFOQB-UHFFFAOYSA-N	321.289	1.001	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CC(F)(F)C[C@@H]1C(=O)O	1608170007	QDQJNXRBTOZEGE-SBKJXLNCSA-N	322.267	1.620	50	20	DDGD	
CC(C)[C@H](C(=O)O)C(=O)NNC(=O)c1ccc2ccccc2c1	1602970490	USWXWNBEVPEWDN-AWEZNQCLSA-N	314.341	1.958	50	20	DDGD	
CC(=NNC(=O)CC(F)(F)F)c1cc(-c2nn[nH]n2)ccn1	1602905811	DHRGLNSVYRMHFE-UHFFFAOYSA-N	313.243	1.054	50	20	DDGD	
CC[C@](C)(CNC(=O)NNc1cccc(C(=O)O)c1F)OC	1604905559	FVZRQOAWYXSIRV-CQSZACIVSA-N	313.329	1.965	50	20	DDGD	
O=C(O)C(=O)NN=C1C[C@@H]2C[C@H](C1)CN2Cc1ccccc1	1601638348	UHUCDMHWQVRPMS-JSGCOSHPSA-N	301.346	1.228	50	20	DDGD	
CC(CCC(=O)O)=NNC(=O)c1nnc(O)c2ccccc12	1609738106	RTTJYGQHVGCBBB-UHFFFAOYSA-N	302.290	1.306	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1ccc2c(c1)OCO2	1608482448	DGJKCCJOQYWCOB-UHFFFAOYSA-N	300.270	1.870	50	20	DDGD	
Cc1sc(C)c(C(=O)O)c1NC(=O)NNc1nnc(C)n1C	1608066294	FEAOZBFADIGSPO-UHFFFAOYSA-N	324.366	1.649	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1cnc(C)s1	1549321408	SMEHWKLCZXPPSK-VXGBXAGGSA-N	308.407	1.155	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@H]1C(=O)NN=CC1(C)COC1	1549316681	STILBPGHVYLTOJ-YPMHNXCESA-N	306.366	1.026	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CCCCCN1	1576295753	TWTYAJXJJPWJQE-YPMHNXCESA-N	323.368	1.273	50	20	DDGD	
Cc1c(NNC(=O)[C@@]2(C)C[C@H](N)CCO2)cccc1[N+](=O)[O-]	1579541189	JZZHRZCDQYVPRX-QMTHXVAHSA-N	308.338	1.243	50	20	DDGD	
Br[C@H]1[C@@H]2CN(Cc3ccccc3-c3nn[nH]n3)C[C@H]12	1588316446	QNIUQJAILMEDCQ-GDNZZTSVSA-N	320.194	1.692	50	20	DDGD	
C=CC[C@@H](NNC(=O)[C@H]1OCC[C@H]1c1ccccc1)C(=O)O	1588749117	GEOQNNJRVDDVAP-MJBXVCDLSA-N	304.346	1.209	50	20	DDGD	
CC(C)[C@@H](C(=O)O)C(=O)N(C)NC(=O)OCc1ccccc1	1588816463	MEMBKDXOEUIGAH-GFCCVEGCSA-N	308.334	1.643	50	20	DDGD	
CCCCC[C@@H](NC(=O)NNC(=O)C(=O)O)c1ccccc1	1595672203	FZSMQKZMPARQFG-GFCCVEGCSA-N	307.350	1.723	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCC[C@H](CCC(=O)O)C2)cn1	1594538761	QXOPGJIPBMHDQE-CWZJEYLYSA-N	316.361	1.430	50	20	DDGD	
C[C@]1(CNC(=O)c2ccnc(C(=O)O)c2)C[C@H]1Br	1594027131	MEUYBRPZHWIMCZ-BXKDBHETSA-N	313.151	1.683	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2cc(C#N)ccc2C(=O)O)n1	1776058020	YYOVWZAVEQANFL-UHFFFAOYSA-N	308.297	1.724	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(O)nc1	17519171	PEPHERNLWKICMG-UHFFFAOYSA-N	323.312	1.252	50	20	DDGD	
CCCn1ccc2ccc(NC(=O)NNC(=O)CN(C)C)cc21	156082037	JYGAISITWRTEEM-UHFFFAOYSA-N	317.393	1.766	50	20	DDGD	
O=C(CSc1nnnn1C1CC1)NNc1cccc(F)c1	154130934	FZPQRTBKJKOVOG-UHFFFAOYSA-N	308.342	1.383	50	20	DDGD	
COc1ccc(NNC(=O)NCCN2CCC(C)CC2)nc1	156881938	YWDLCJLGNSRTBL-UHFFFAOYSA-N	307.398	1.448	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)c2ccc[nH]2)cc1OC	6990982	IGAKJHVRXRNKHN-SOFGYWHQSA-N	315.329	1.506	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1cccc(-n2cccc2)c1	106417479	LDFILPCXYKFGPY-UHFFFAOYSA-N	309.329	1.204	50	20	DDGD	
COC(=O)N1CCC(=NNC(=O)c2ccc3c(c2)OCO3)CC1	54864139	YQYGAUMCGYSUCX-UHFFFAOYSA-N	319.317	1.363	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cccc(Oc2ccncc2)c1	113427763	ZKIBVHXUCNFAKA-UHFFFAOYSA-N	314.345	1.197	50	20	DDGD	
Cc1cc(C)c(S(=O)(=O)NNC(=O)c2ccc[nH]2)c(C)c1	108464736	DGWUWBYEGLMJKE-UHFFFAOYSA-N	307.375	1.563	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNC(=O)CC(C)(C)C)c1ccco1	103297858	OXDDKGHIRSGQJK-LLVKDONJSA-N	310.398	1.649	50	20	DDGD	
Cc1cc(NNC(=O)c2cc3ccccc3[nH]c2=O)nc(C)n1	172375074	ZDOXVHJVRUTGAU-UHFFFAOYSA-N	309.329	1.692	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCCCn2cccn2)cc(C#N)n1C	56872903	IGFSQGAZGYWSCP-DHDCSXOGSA-N	322.372	1.515	50	20	DDGD	
Cc1noc(C)c1CN(C)[C@H](C)C(=O)NNC(=O)CC(C)C	109829721	OSBTXCCLIPXINO-LLVKDONJSA-N	310.398	1.305	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCCN2CCCCC2)o1	176364416	ZBHNPNFJCODNRG-UHFFFAOYSA-N	308.382	1.408	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc2c(c1)CCC2)NC1CCCC1	65833031	VAWACSWDCCFSTE-UHFFFAOYSA-N	323.418	1.610	50	20	DDGD	
O=C(Cc1ccn[nH]1)NNc1nc(-c2ccc(Cl)cc2)no1	173560216	QSAQRFHETUVSLY-UHFFFAOYSA-N	318.724	1.799	50	20	DDGD	
Cc1nn(C)cc1C(=O)NNC(=O)c1ccc2ccccc2n1	113140015	QBBUICTUDUEZLB-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
C#Cc1cccc(NC(=O)C(=O)NNc2cccc(C#N)c2)c1	119442933	IYHLRSOANVVWLU-UHFFFAOYSA-N	304.309	1.621	50	20	DDGD	
C#CCN(CC(=O)NNC(=O)C1CC1)[C@H]1CCc2ccccc21	112977039	OULDIHUQFLGDRL-INIZCTEOSA-N	311.385	1.167	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(F)c(F)cc1Cl	65208657	DKGLBPHPFNPCOT-UHFFFAOYSA-N	321.711	1.599	50	20	DDGD	
C[C@H]1CN(CCI)CC[S@](=O)C1	306702711	AJKKPTZVLWQGGD-UFBFGSQYSA-N	301.193	1.122	50	20	DDGD	
O=C(CCC1CCOCC1)NNC(=O)COCc1ccccc1	173637262	VXZYUORWUKOZEG-UHFFFAOYSA-N	320.389	1.557	50	20	DDGD	
O=C(NCCOc1cccc(F)c1)NNC(=O)c1ccc[nH]1	122930600	SQPUYQOFAAAOJR-UHFFFAOYSA-N	306.297	1.177	50	20	DDGD	
O=C(NNc1cnccn1)c1c[nH]nc1-c1c(F)cccc1F	126073661	XXNBBAMYLHAITH-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)c2cn(CC3(C)COC3)nn2)c1	184018227	CWOBQGOPEOIBNC-UHFFFAOYSA-N	315.377	1.688	50	20	DDGD	
O=C(NNC(=O)[C@H]1COCCO1)c1cc2c(s1)CCCCC2	32699691	SEZBGIRIPNTTQK-LLVKDONJSA-N	324.402	1.193	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Cc2cncs2)cc1	187290421	YFKYUGQPRRRSCM-UHFFFAOYSA-N	305.359	1.220	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1C[C@]12CCCc1ccccc12	186146775	XXOPVKDECBEJCE-YJBOKZPZSA-N	324.384	1.394	50	20	DDGD	
CC[C@H]1C[C@H](C(=O)NNc2nc3ccccc3c(=O)[nH]2)CCO1	184181991	HCEAYDJGJLTVRH-MNOVXSKESA-N	316.361	1.571	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccccc1N1C[C@H](C)O[C@@H](C)C1	181962236	QTEPMSILVBIGCE-QWRGUYRKSA-N	306.366	1.473	50	20	DDGD	
CC(=O)NNC(=O)c1cn(-c2ccc(Br)cc2)cn1	129203955	UMNCYWXNNVQOJC-UHFFFAOYSA-N	323.150	1.416	50	20	DDGD	
CC(C)c1ncc(Cl)c(C(=O)NNC(=O)c2cccn2C)n1	122393094	LWQNNTHEDIRBTR-UHFFFAOYSA-N	321.768	1.667	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)n1	127722526	GGOXUKPWCOPAAI-WDEREUQCSA-N	320.397	1.045	50	20	DDGD	
N#CC1(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)CCCC1	42033340	SIOQBOUSTQGYCG-UHFFFAOYSA-N	310.357	1.942	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cccc(C(F)(F)F)c1F	80023538	OGWMZBYZMXJVNA-UHFFFAOYSA-N	307.247	1.167	50	20	DDGD	
O=C(NNC(=O)C(F)(F)c1cccc(Cl)c1)NC1CC1	49277464	LJCQSYLGXDTGGW-UHFFFAOYSA-N	303.696	1.925	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cnns2)c1C	47816528	RDBICIPTXYTOHH-SNVBAGLBSA-N	320.374	1.383	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Cc1cccc(F)c1	193710416	WPIXEKCUGFQOKX-UHFFFAOYSA-N	302.305	1.838	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCCCO[C@@H]1CCOC1	194740479	FZSSIPJACURCSS-HFQYIWAZSA-N	316.357	1.611	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)NCC(C)C)cc1	42947605	SJGSJEXACPLLQQ-GFCCVEGCSA-N	323.393	1.839	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2n[nH]c3c2CCCCC3)n1	191012577	JWUFFDFGSPSKEC-UHFFFAOYSA-N	321.772	1.461	50	20	DDGD	
COc1ccc(C(=O)CCC(=O)NNc2ncccn2)cc1F	81611621	NHDARRSGFYXJEX-UHFFFAOYSA-N	318.308	1.731	50	20	DDGD	
CC(C)=CCNC(=O)NNC(=O)c1c(C)nc2ccccn12	190546986	KMSMYOJDEMUQRR-UHFFFAOYSA-N	301.350	1.553	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)c2cc(C)n[nH]2)ccc1C	194428280	GEDVTNMQIKHRAB-UHFFFAOYSA-N	300.318	1.304	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2cccs2)on1)c1ccccn1	196478624	AIKYGWVGZOJLLN-UHFFFAOYSA-N	314.326	1.873	50	20	DDGD	
O=C(/C=C\c1cncc(F)c1)NNC(=O)c1ccc(Cl)nc1	255633326	PHTNRMJRCXYFMB-RJRFIUFISA-N	320.711	1.744	50	20	DDGD	
CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)C1CCCCC1	252680028	UTEDYBRTXSTOTK-LBPRGKRZSA-N	301.412	1.429	50	20	DDGD	
CC(C)(C)c1nc(C(=O)NNc2ccc(C(N)=O)nn2)cs1	268279062	VHUUOBKCRDABFK-UHFFFAOYSA-N	320.378	1.086	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@@H]1CCOC2(CCC2)C1	269350578	RLOSQFBYEHYQKV-SECBINFHSA-N	311.773	1.858	50	20	DDGD	
C=CCC(CC=C)C(=O)NNC(=O)CNC(=O)c1cccs1	268196648	NPHCFSZFZOQENF-UHFFFAOYSA-N	321.402	1.394	50	20	DDGD	
COC(=O)N[C@@H](CC(C)C)C(=O)NNc1ccc(Cl)nn1	265561105	VIWXOVDKJCRJOK-QMMMGPOBSA-N	315.761	1.344	50	20	DDGD	
COc1cccc(-c2cc(C(=O)NNC(=O)CC3CC3)[nH]n2)c1	268897504	ZHRCMFNDGFQGJS-UHFFFAOYSA-N	314.345	1.646	50	20	DDGD	
COc1cccc(CNC(=O)NNC(=O)CC(C)(C)C)c1OC	264005276	CIBRPHIKPVCROV-UHFFFAOYSA-N	323.393	1.970	50	20	DDGD	
O=C(Cc1cccc(OC(F)(F)F)c1)NNC(=O)C1CC1	269584392	BWTPLXNPTVGEKP-UHFFFAOYSA-N	302.252	1.685	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cnn(CC(C)C)c2C)n1	279738328	ACBKYLQTJBOUIZ-UHFFFAOYSA-N	315.377	1.626	50	20	DDGD	
CCCOc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)CC)cc1	274047354	HPYGIDMOOFAQOK-NSHDSACASA-N	321.377	1.607	50	20	DDGD	
O=S(=O)(CBr)N[C@H](CO)c1ccc(F)cc1	272794918	JYUGBDDSTCMLPN-SECBINFHSA-N	312.160	1.131	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)CCC2	272350023	OFAGLHWHJPEFIY-NSHDSACASA-N	321.377	1.380	50	20	DDGD	
CC(=O)N[C@H](CC1CCC1)C(=O)NNC(=O)c1ccccc1	278372692	ZSWDBOOXJXLFKW-CQSZACIVSA-N	303.362	1.143	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H]1C[C@@]12CCOC2	364085439	HLBWVEHAEHTLET-ZUZCIYMTSA-N	321.402	1.439	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)COc2ccc(F)cc2)CCO1	272069439	LENDMQYIGTXQGU-WDEREUQCSA-N	310.325	1.167	50	20	DDGD	
CSc1ccc(C)c(NC(=O)C(=O)NNC(=O)CC(C)C)c1	274211301	TVIBQFQLGZTVNB-UHFFFAOYSA-N	323.418	1.849	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H]1CCO[C@H](C)C1	272074938	LWKZLAYBUUNNHW-GHMZBOCLSA-N	323.418	1.828	50	20	DDGD	
COc1cccc(CCCNS(=O)(=O)CBr)c1	272819223	ORZQNWJBHXVTKC-UHFFFAOYSA-N	322.224	1.900	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H]1CCc2cnn(C)c2C1	281582706	SNXRXQDBXWHEER-LBPRGKRZSA-N	312.373	1.295	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cnc(C(C)C)nc2)cc1	280910692	COCQTJIOJWRWRB-UHFFFAOYSA-N	313.361	1.990	50	20	DDGD	
COCCN(C)NC(=O)/C=C/c1cc(OC)c(OC)cc1OC	288347776	GDCSKWQZFXFPFL-VOTSOKGWSA-N	324.377	1.335	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2CCN3CCC[C@H]3C2)n1	371831182	TWSSKIVGNAHUOB-NEPJUHHUSA-N	320.397	1.047	50	20	DDGD	
Cc1noc(C)c1C(C)(C)NS(=O)(=O)CBr	285463679	NDFLHKFNNGOVQU-UHFFFAOYSA-N	311.201	1.798	50	20	DDGD	
O=C(NCCc1cn2c(n1)SCC2)NNc1ncccc1F	286620786	BWTWLKNQLIEUHS-UHFFFAOYSA-N	322.369	1.392	50	20	DDGD	
O=C(NNC(=O)C1(c2ccccc2)CCC1)[C@H]1CCCCO1	295396177	LVYGTNAHCMHIML-CQSZACIVSA-N	302.374	1.825	50	20	DDGD	
COc1ccnc(NNC(=O)c2c(C)nsc2NC2CC2)n1	292528350	FJDKQJDOZNZEDI-UHFFFAOYSA-N	320.378	1.581	50	20	DDGD	
Cc1cc(C)c(CC(=O)NNC(=O)N=c2cc[nH]cc2)c(C)c1	802024893	XYYQPHIPGCZOLI-UHFFFAOYSA-N	312.373	1.824	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	294144829	HGGPYCGRZJQGGL-CABZTGNLSA-N	307.306	1.232	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NNc1cccc(F)n1	804764273	SEJKHAQSYWWJPY-UHFFFAOYSA-N	306.253	1.651	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)NCCc2cccc(F)c2)O1	297910665	SWVGMQRBWUWTBH-GWCFXTLKSA-N	309.341	1.266	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)cc1[N+](=O)[O-]	295306670	FLFDZKUTIVOGEY-LBPRGKRZSA-N	307.306	1.233	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)COc1cccc(C)c1)C1CC1	290987734	RFMAHFBMERFJMP-INIZCTEOSA-N	306.362	1.336	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)Nc2ccc(OC)cc2)O1	802057375	PZOVITGQJKWSAA-WCQYABFASA-N	307.350	1.806	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1cccc2c1COC2=O	808908291	JRHJDSAPZJDCTI-UHFFFAOYSA-N	317.223	1.462	50	20	DDGD	
CN(C)CC1(CNC(=O)NNc2ncncc2F)CCCC1	293267379	GCNIOOAYDIQFAT-UHFFFAOYSA-N	310.377	1.364	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H]1C[C@H]2C=C[C@H]1C2	291486564	AVFYXFMEDRIBJG-RHYQMDGZSA-N	323.393	1.259	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)CSC(F)F	295300824	QZMNSAJYYJOCIO-UHFFFAOYSA-N	304.318	1.428	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCO2)NNC(=O)NC1CCCCC1	298071976	AQUMFXPMMFOIPS-UHFFFAOYSA-N	317.389	1.827	50	20	DDGD	
O=C(NNc1nccc2sccc12)c1cc([N+](=O)[O-])n[nH]1	806861068	HUVMSFDSLHFGFY-UHFFFAOYSA-N	304.291	1.685	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)NCC(F)(F)F)cs1	293488137	AIGCNDNRPYANAY-UHFFFAOYSA-N	309.269	1.457	50	20	DDGD	
Cc1cc(NNC(=O)c2cnc(C(C)(C)C)nc2)nc(C)n1	806889733	GWLKBLJBARSQEM-UHFFFAOYSA-N	300.366	1.938	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1)C1CC1	291003663	UCHLPJSQFHEGFE-QFYYESIMSA-N	324.352	1.556	50	20	DDGD	
O=C(NNc1ccccn1)[C@@H]1CCCN1C(=O)C(F)(F)F	807196279	SEAQCROVATUVRY-QMMMGPOBSA-N	302.256	1.078	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CSC(F)F	299268944	ZWUPPNDRLSBNIT-ZETCQYMHSA-N	322.308	1.696	50	20	DDGD	
O=C(NNC(=O)c1cccnc1O)c1cc(Cl)ccc1O	802600819	UIUBJEAVGXQUSC-UHFFFAOYSA-N	307.693	1.221	50	20	DDGD	
C[C@](O)(CSc1cccc(F)c1)C(=O)NN=c1cc[nH]cc1	803079161	VAOGUGHTNJXYJP-HNNXBMFYSA-N	321.377	1.629	50	20	DDGD	
CCc1oc(C=NNC(=O)c2cc(C)[nH]n2)cc1C(=O)OC	800814441	OPCFAYXQERVJHM-UHFFFAOYSA-N	304.306	1.424	50	20	DDGD	
COCCCOCC(=O)NNc1cc(C(F)(F)F)ccn1	295433701	VAZLYXZWSBTTKG-UHFFFAOYSA-N	307.272	1.597	50	20	DDGD	
CCc1csc(CC(=O)NNC(=O)c2ccc(C#N)cc2)n1	801144658	VONOHKRZIYMTHS-UHFFFAOYSA-N	314.370	1.581	50	20	DDGD	
CSc1cccc(NC(=O)NNC(=O)Cc2cccnc2)n1	806781539	YSKOGOSBXKMAOB-UHFFFAOYSA-N	317.374	1.594	50	20	DDGD	
CCOCC(=O)NN=C1CC[C@@H](C(=O)OCC)c2ccccc21	802711048	HHPZKMCRQGZNJS-CQSZACIVSA-N	318.373	1.984	50	20	DDGD	
CN(C)C(=O)Nc1cccc(C(=O)NNc2ncncc2F)c1	817082831	NIONMRKWKLYWPN-UHFFFAOYSA-N	318.312	1.466	50	20	DDGD	
O=C(Cc1cccnc1)NN=C1CC(C(=O)O)(c2ccccc2)C1	814837929	QYFQYYWBAGGNCP-UHFFFAOYSA-N	323.352	1.913	50	20	DDGD	
COCC(=O)NN=C(C)c1ccc(N2CCCOC2=O)cc1	814872653	UHVFJPBWFCKNOC-UHFFFAOYSA-N	305.334	1.520	50	20	DDGD	
CO[C@@H]1CCC[C@@H](C(=O)NNC(=S)Nc2ccccn2)C1	814413604	JTRFJFJHJRENPU-GHMZBOCLSA-N	308.407	1.604	50	20	DDGD	
O=C(NN=C1CC2(CC2)C1)c1csc(N2CCOCC2)n1	814751447	MCUMHFBAGMPXTP-UHFFFAOYSA-N	306.391	1.640	50	20	DDGD	
O=C(CCc1ncccn1)NNC(=O)c1ccc(Cl)cc1	812449292	KVQGTNYTQCTBJE-UHFFFAOYSA-N	304.737	1.524	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1cc(-c2ccccc2Cl)[nH]n1	816633723	KSYNPZULCKQVDZ-UHFFFAOYSA-N	303.713	1.605	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@H](C)[C@H]1OCCc2sccc21	813867240	OQWZEPAYRFFGRB-BXKDBHETSA-N	311.407	1.737	50	20	DDGD	
COc1ccc(NNC(=O)[C@@](C)(O)C2CCC2)c([N+](=O)[O-])c1	813486573	DBZWZWXTGREAGF-AWEZNQCLSA-N	309.322	1.598	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCCN(C=O)CC1	819431980	LONKWTRSPUERKZ-JTQLQIEISA-N	305.216	1.487	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2n[nH]cc2C)cc1C	812721948	GMGBCMVFDHIKIK-UHFFFAOYSA-N	302.334	1.960	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CCN(Cc2ccccc2)[C@H]1C	811637111	SZHMLNSBQXAHQD-ZDUSSCGKSA-N	316.405	1.278	50	20	DDGD	
CC(C)NC(=O)CCCC(=O)NNC(=O)c1ccccc1F	729282772	IZCRKRRLBRNKJS-UHFFFAOYSA-N	309.341	1.282	50	20	DDGD	
COCCOc1ccc(C(=O)NN(C)[C@@H](C)CO)c(Cl)c1	823934333	FGPVCMTZTLHVJZ-JTQLQIEISA-N	316.785	1.323	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CSCc1ccc(F)cc1	726538565	QFYSNIZKPBIGAJ-UHFFFAOYSA-N	321.377	1.859	50	20	DDGD	
CC(C)COC[C@@H](O)CNC(=O)/C(C#N)=C/c1ccc(F)cc1	490843943	PBXOWPINLNVVBD-KAMPRCONSA-N	320.364	1.882	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NNc1ccncn1	496561579	HVPDMDAIPRYSLA-SNVBAGLBSA-N	307.354	1.319	50	20	DDGD	
CN(CCC(=O)OC(C)(C)C)C(=O)/C(C#N)=C\c1cnn(C)c1	491084766	PBQBJEOMMJSYRR-JYRVWZFOSA-N	318.377	1.517	50	20	DDGD	
O=S(=O)(CCCCl)NCc1cccnc1-n1cccn1	726867859	BBWCAWWKWYZZDE-UHFFFAOYSA-N	314.798	1.316	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2cc(C)[nH]n2)cc1F	727499849	SDWWOVDWVAWWMM-UHFFFAOYSA-N	323.353	1.497	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C\c2cccc(-c3nn[nH]n3)c2)n1	826363205	CETHVKKAHBZQAV-WQLSENKSSA-N	320.316	1.146	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)/C(C#N)=C\c2cnn(C)c2)C12CCC2	491046901	HTRQDUOLYUBSPF-KWLXYHDNSA-N	314.389	1.791	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H](NC(=O)CC(C)C)c1ccccc1	495693979	WCPGMUSSFYPQLP-AWEZNQCLSA-N	321.377	1.619	50	20	DDGD	
Cn1c(NNC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)nc2ccccc2c1=O	823320611	VTDAOGXLOGUGHY-MDZLAQPJSA-N	312.373	1.813	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(NC(=O)OCC)cc1	495454118	OLJHYMWQIYIZOB-UHFFFAOYSA-N	323.353	1.953	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2O)nc1	728962998	XJFAQFLOJUDCHU-UHFFFAOYSA-N	315.716	1.497	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(C(F)F)cc2)n1	726522690	RLADSJVJMMXUNP-UHFFFAOYSA-N	322.315	1.899	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC[C@H]1c1ccccc1	827314310	AGYVMNSXYHEGPI-YUTCNCBUSA-N	303.362	1.599	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)C(=O)c1ccc(Br)s1	823916925	BCUAPBYOPWVEIH-LURJTMIESA-N	321.196	1.037	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H]2CC[C@H](O)CC2)cc(C#N)n1C	490783462	QLKNCJPWCCDXQF-IYMQFAAKSA-N	312.373	1.532	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCCOC(F)F)cc(C#N)n1C	490941020	KCCMOYNVASXKHA-WUXMJOGZSA-N	322.315	1.858	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C[C@@H]1CC[C@@H]2C[C@H]12	822194842	WKUFPZODXFCCPT-AGIUHOORSA-N	318.373	1.658	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NC[C@@H]2C[C@H]2C2CCC2)c1	822947593	VQXPDTYECKXWMG-GJZGRUSLSA-N	312.373	1.938	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(OCc2ccccc2)ccn1	823865263	MKLXXUSYOBVWON-UHFFFAOYSA-N	315.373	1.620	50	20	DDGD	
COc1cc(C(=O)NN=c2sc3ccccc3n2C)on1	588432632	VRWBUMXCPMKJQB-UHFFFAOYSA-N	304.331	1.482	50	20	DDGD	
COC(=O)c1cc(/C=C(\C#N)S(=O)(=O)NC2CC2)cs1	901496438	WAQAEVGTWCZNAN-ONNFQVAWSA-N	312.372	1.481	50	20	DDGD	
CSc1cc(C)ccc1CNCc1cccc(B(O)O)c1	585031113	QYJBESXROJJMKH-UHFFFAOYSA-N	301.220	1.687	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(-c2ccc(OC)cc2)[nH]n1	493709941	KURYTJFYRVVUCJ-UHFFFAOYSA-N	304.306	1.476	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)C1CCC(OC[C@@H]2CCCO2)CC1	823922740	MQTMFJFSFAODQX-PPWQZUPISA-N	314.426	1.085	50	20	DDGD	
COC[C@H](NCc1ccccc1B(O)O)c1ccc(Cl)cc1	585038730	KYVBVVMTAPCJJB-INIZCTEOSA-N	319.597	1.497	50	20	DDGD	
Cc1oc(-c2cccs2)nc1C=NNC(=O)C(=O)NC(C)C	905433364	YFUVWJTWCDLQPE-UHFFFAOYSA-N	320.374	1.686	50	20	DDGD	
CC(CCO)=NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	495723030	YXLLFIJYXJYANK-GFCCVEGCSA-N	313.398	1.508	50	20	DDGD	
CCOCC(=O)NN=C1CCC2(CC1)C(=O)Nc1ccccc12	731154256	BUXRARIXYHAJJQ-UHFFFAOYSA-N	315.373	1.959	50	20	DDGD	
COc1cc(/C=C(\C#N)C(=O)N=c2cc[nH]cc2)ccc1C#N	491158023	CBUKTMVWSDKKIE-RIYZIHGNSA-N	304.309	1.929	50	20	DDGD	
C[C@@H](C(=O)NNc1cnccn1)N(C(=O)OC(C)(C)C)C1CC1	496692693	FHVGBZRCRRDACC-JTQLQIEISA-N	321.381	1.708	50	20	DDGD	
C[C@@H](CNC(=O)/C(C#N)=C/c1cnn(C)c1)CC1(C)OCCO1	491009084	JKGCAVIRFPPDQE-CHJAJTDHSA-N	318.377	1.232	50	20	DDGD	
COc1cc(C=O)ccc1OCC(=O)NNC(=O)C1CCCC1	731606998	CZHAPYNZGFDUSL-UHFFFAOYSA-N	320.345	1.224	50	20	DDGD	
CCOC(=O)Nc1scnc1C(=O)NNC(=O)C(C)C	496834626	CHJHRVFIYXHYEB-UHFFFAOYSA-N	300.340	1.129	50	20	DDGD	
COc1ccccc1C(=O)NNc1ccccc1S(C)(=O)=O	732303747	JJCRMBDVTODETN-UHFFFAOYSA-N	320.370	1.856	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCCCCC1)c1cn(C)nn1	834935321	RBCKBSVHEWLTKA-LBPRGKRZSA-N	306.414	1.167	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NC[C@@]1(C)CCOC1	733353074	YESORIRGUHUSLB-OAHLLOKOSA-N	306.366	1.757	50	20	DDGD	
C#CCCCC(=O)NN[C@H](Cc1ccc(Cl)cc1)C(=O)OC	901644719	UPBUTQCONFURHK-CQSZACIVSA-N	322.792	1.848	50	20	DDGD	
CCCN1CCC[C@H](C(=O)NNC(=O)Cc2ccccc2C)C1	907027564	HARUDBVEGSPMTN-INIZCTEOSA-N	317.433	1.807	50	20	DDGD	
C[C@@H]1CCC[C@H](OCC(=O)NNC(=O)c2ccccc2O)C1	732996913	PBAADYMFNCTMAD-NEPJUHHUSA-N	306.362	1.749	50	20	DDGD	
CC(C)N(Cc1cccs1)C(=O)c1cccc(B(O)O)c1	584934947	XUOIXHYLPOCSTA-UHFFFAOYSA-N	303.192	1.479	50	20	DDGD	
CCc1ccc(C=NNC(=O)CNC(=O)c2ccco2)s1	731153480	NXLNXXCRISFKGB-UHFFFAOYSA-N	305.359	1.784	50	20	DDGD	
Cn1cc(CCC=NNC(=O)CCc2ccccc2O)cn1	834955113	IHBFUFBCFZPNHV-UHFFFAOYSA-N	300.362	1.793	50	20	DDGD	
O=C(NN[C@@H](C(=O)O)c1cccnc1)c1ccc2ccccc2n1	833148947	BLXXMONTNDVQLX-OAHLLOKOSA-N	322.324	1.690	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(C#N)ccc1F	831575586	PIXVGXLKXPDISV-UHFFFAOYSA-N	312.395	1.169	50	20	DDGD	
C[C@@]1(CC(=O)NNC(=O)N=c2cc[nH]cc2)CC1(Cl)Cl	831936910	JOWNUMWRRCHCBQ-LLVKDONJSA-N	317.176	1.630	50	20	DDGD	
O=C(CCn1ccccc1=O)NNc1cnnc2ccccc12	733808950	OWYQOKQWCAYPTL-UHFFFAOYSA-N	309.329	1.325	50	20	DDGD	
O=C(NN=Cc1ccccc1O)c1cccc(-c2nn[nH]n2)c1	738129600	DXWFJFGDRNADHV-UHFFFAOYSA-N	308.301	1.336	50	20	DDGD	
CCOCCN1CCN(C(=O)[C@@]2(C)C[C@@H]2Br)CC1	906641920	YTKQXISIOGAJFI-AAEUAGOBSA-N	319.243	1.341	50	20	DDGD	
O=C(CC[C@@H]1CCCCO1)NNc1nc(-c2cccnc2)no1	732109165	BUGXNNGTCNICDP-LBPRGKRZSA-N	317.349	1.924	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNc1cccc(Br)n1	837211502	DRKTYPKNXOHMEN-SSDOTTSWSA-N	316.155	1.486	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CN(C)C[C@@H](C)C#N)cc1C	736308112	GJNNUJIVLGYZEB-JTQLQIEISA-N	322.434	1.471	50	20	DDGD	
O=C(c1cc(C2CC2)nc2ccccc12)N1CC[C@H](B(O)O)C1	585070471	XOEMRBCBNBCEJT-LBPRGKRZSA-N	310.162	1.801	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](c1ccccc1)[C@H]1CCCO1	731282845	XYGLKADKGCDKEZ-UKRRQHHQSA-N	321.377	1.274	50	20	DDGD	
O=S(=O)(CCl)N[C@H](CO)c1ccc(C(F)(F)F)cc1	830967594	VOJHZSIKLWLQLT-SECBINFHSA-N	317.716	1.855	50	20	DDGD	
CCS[C@H]1CCCC[C@@H]1NC(=O)c1cccc(B(O)O)c1	584961444	VMWOVJHQPPTLFU-KBPBESRZSA-N	307.224	1.161	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(Br)co1	837367336	OHPLUYYEIBDDJW-UHFFFAOYSA-N	320.143	1.023	50	20	DDGD	
C[C@H](NC(=O)[C@]1(C)C[C@H]1Br)c1nnc2n1CCC2	906379039	XEESTYGYSDZFHL-JOAULVNJSA-N	313.199	1.575	50	20	DDGD	
CC(=NNC(=O)c1c[nH]nc1C)c1ccc2c(c1)CCC(=O)N2	735411421	CUWAIYHIBNAQFV-UHFFFAOYSA-N	311.345	1.757	50	20	DDGD	
CCOc1cccc2c1CC[C@@H]2NCc1ccc(B(O)O)cc1	585023019	BGNDFAXFYQYTRX-KRWDZBQOSA-N	311.190	1.542	50	20	DDGD	
Cc1cc(C)n(CCC(=O)NNC(=O)c2ccccc2C)n1	836633988	XLYUZXYTRDUMTN-UHFFFAOYSA-N	300.362	1.660	50	20	DDGD	
CN1C(=O)CC[C@@H]1CC(=O)NNc1ccc(C(F)(F)F)cn1	832395474	KVXGPPJLKGLRKL-SECBINFHSA-N	316.283	1.554	50	20	DDGD	
CC[C@@H]1C[C@H]1CNC(=O)NNC(=O)c1cc(OC)cc(OC)c1	836594287	UNMPPZXIUZJCAA-PWSUYJOCSA-N	321.377	1.694	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)[C@@H](C)Oc2ccccc2F)n1	834930216	QFUVKIYCLWWXCZ-LLVKDONJSA-N	319.340	1.663	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1cccc2c1OCCO2	836317522	HRPUNPAQCFUMHQ-LBPRGKRZSA-N	321.333	1.180	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cccc2c1CCO2	831764419	YKPYFUVGUICERD-NXEZZACHSA-N	305.334	1.199	50	20	DDGD	
CC[C@@H]1CCC[C@H]1CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	838651078	RPIGUJRFDQQOSA-DYEKYZERSA-N	317.455	1.194	50	20	DDGD	
CC[C@@](C)(C=NNC(=O)c1ccc(-n2cnnn2)cc1)OC	834930339	DPOLLWAVHIEFHD-AWEZNQCLSA-N	302.338	1.193	50	20	DDGD	
COc1ccc(OCC(=O)NN=C2C[C@@H](C)n3ncnc32)cc1	841606940	NWPZWQPMXRSRSD-SNVBAGLBSA-N	315.333	1.151	50	20	DDGD	
CCc1nnsc1C(=O)NNC(=O)COc1ccc(F)cc1	743950887	ZISREURNRHYMIJ-UHFFFAOYSA-N	324.337	1.080	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)COc1nccc(C(F)(F)F)n1	842548076	HHMSELPDBNTDLR-UHFFFAOYSA-N	320.271	1.068	50	20	DDGD	
COc1ccc(CCCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	843648365	QDZOSHZFWIIZQV-DOMZBBRYSA-N	320.389	1.590	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)c1cc2n(n1)CCC2	848322893	RTEZYCINVGFGBP-UHFFFAOYSA-N	323.154	1.139	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCCOc1ccc2c(c1)CCC2	910160922	QDQCIIXWVBTOTL-ZDUSSCGKSA-N	306.406	1.678	50	20	DDGD	
CO[C@H](CC(=O)NNC(=O)c1cccc(C#N)c1)C(F)(F)F	844379232	NANXCEYISCBCFC-SNVBAGLBSA-N	315.251	1.287	50	20	DDGD	
CCCN1CCC[C@H](C(=O)NNC(=O)c2cccc(F)n2)C1	912733260	OSOSRZBPJXRGEL-NSHDSACASA-N	308.357	1.104	50	20	DDGD	
COc1ccc(Cl)cc1NC(=O)NNC(=O)CCCN	841003154	OOVWDKKCOAYDTO-UHFFFAOYSA-N	300.746	1.240	50	20	DDGD	
COCC[C@@H](C)CNC(=O)NNC(=O)CCc1ccccc1	840398179	CZXFXFKCXGYXKY-CYBMUJFWSA-N	307.394	1.622	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)COc1ccc(C#N)cc1)C(F)(F)F	742472061	XGEHMAMWFGIUNC-QMMMGPOBSA-N	315.251	1.283	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNc1ncc(Br)cn1	848321582	XZLZTKCJJVIMBO-JTQLQIEISA-N	303.160	1.233	50	20	DDGD	
CC(F)(F)CNC(=O)NNc1ncc(Br)cn1	847377485	YLTSRRHIZMOWKR-UHFFFAOYSA-N	310.102	1.520	50	20	DDGD	
C=C(CBr)COC(=O)c1cnc(N(C)C)cn1	848779758	VBPHDWPCEADJPP-UHFFFAOYSA-N	300.156	1.651	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)Cc2nccs2)cc1	746669521	CZKHKRUONGJHJI-UHFFFAOYSA-N	318.402	1.345	50	20	DDGD	
COc1ccc(C(=O)CCC(=O)NN(C)C[C@H](C)O)cc1F	910165632	JBXJRAHJPQTRIC-JTQLQIEISA-N	312.341	1.141	50	20	DDGD	
CCOc1cc(C=NNC(=O)[C@@H](C)OCCOC)ccc1O	748256339	AJDRTLFFEMYXNP-LLVKDONJSA-N	310.350	1.293	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H](C)[C@@](C)(OC)C2CC2)n1	840416523	MMOOAUYXRAFRAH-YMTOWFKASA-N	309.370	1.315	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)C1SCCCS1	841148834	CFOPGKCNGMYPSB-UHFFFAOYSA-N	310.444	1.881	50	20	DDGD	
CCCCNC(=O)NN=Cc1cccc(O[C@@H](C)C(=O)O)c1	746680218	RNEATIYHWQXQIY-NSHDSACASA-N	307.350	1.972	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccc(N2CCCCC2)cc1	744817010	CCVIAGVPSVCBRV-UHFFFAOYSA-N	316.405	1.652	50	20	DDGD	
COc1ccc(SCC(=O)NNc2nccn(C)c2=O)cc1	747941579	IOWZZQQMEGBPCZ-UHFFFAOYSA-N	320.374	1.024	50	20	DDGD	
CCOCCC1(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CCCC1	843654330	QXYZMZCNKGPJJL-OLZOCXBDSA-N	312.410	1.546	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)CC(C)(C)C	917625349	OYODUFLUEFMLCH-GHMZBOCLSA-N	318.439	1.031	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2cccc([N+](=O)[O-])c2)CCCNC1	841970896	QKRMAXSPHUIBDF-CQSZACIVSA-N	307.354	1.611	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)N[C@H](C)CCC(C)C	748611862	DZRGPIAMXIAKRJ-NEPJUHHUSA-N	303.403	1.193	50	20	DDGD	
C[S@](=O)CCNC(=O)NNC(=O)c1cccc2ccccc12	743617591	SDMAGKRWOADVRW-QFIPXVFZSA-N	319.386	1.162	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)CC(F)(F)F)C[C@H]1Br	911424614	CUQMSSSORKJZHS-CLZZGJSISA-N	303.078	1.260	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	840253136	YHVVYOFTBISDRW-ZIAGYGMSSA-N	313.313	1.195	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)COc2ccccc2OC)[C@H]1OC	841606642	IWULGHPHOWEWBX-GDBMZVCRSA-N	322.361	1.370	50	20	DDGD	
CCn1ncc(/C=C(\C#N)C(=O)c2cccc3c2OCCO3)n1	840734590	HGJJNVCDECCCQT-DHZHZOJOSA-N	310.313	1.859	50	20	DDGD	
CC(C)[C@@H](N)CNC(=O)NNC(=O)Cc1c[nH]c2ccccc12	841943670	MULPBLDBCCEKCM-ZDUSSCGKSA-N	317.393	1.024	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C=NNC(=O)c2cccnc2)c1C	744555189	IBILZZRGKUUOEJ-UHFFFAOYSA-N	314.345	1.967	50	20	DDGD	
C[C@@]1(CNC(=O)N2CC[C@](C)(CN)C2)C[C@H]1Br	857105621	OJIUZFHUPAPBMZ-JLLWLGSASA-N	304.232	1.540	50	20	DDGD	
CSc1cccc(NC(=O)NNC(=O)c2cnn(C)c2)c1C	757902495	CNEPRNWPZHZIOD-UHFFFAOYSA-N	319.390	1.917	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)COc2ccccc2F)[C@H]1C	858129284	GXOMAXRPXPJCFW-KIGUWFBYSA-N	324.352	1.411	50	20	DDGD	
C[C@@]1(CN2C(=O)N3CCC[C@@]3(C)C2=O)C[C@@H]1Br	857227420	MUASLINALFMFOJ-UWJYBYFXSA-N	301.184	1.977	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=C1CCN(C2CCCCC2)CC1	920361039	DYERNADMMVGGCI-UHFFFAOYSA-O	315.441	1.875	50	20	DDGD	
CCc1noc(CCCC(=O)NNc2ncccc2[N+](=O)[O-])n1	759301610	XQVWKHGCCQFNNP-UHFFFAOYSA-N	320.309	1.401	50	20	DDGD	
C[C@@H](C[S@@](C)=O)NC(=O)NNc1ccc([N+](=O)[O-])cc1F	853981927	QUNMLOJTKZZPTD-MWAODPMSSA-N	318.330	1.127	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)N2CCN(C)CC2)ccc1Cl	928341006	KSFVUHBFPUDMHL-GFCCVEGCSA-N	310.829	1.727	50	20	DDGD	
CCON1CCC(CC(=O)NNC(=O)CC(F)(F)F)CC1	854998000	WUPMAKLVFNORHB-UHFFFAOYSA-N	311.304	1.140	50	20	DDGD	
Cc1cc(C)c(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C	920383832	GZAYMDWEVFKBQX-CQSZACIVSA-N	323.418	1.432	50	20	DDGD	
CCCCNC(=O)NN=Cc1ccccc1N1CCOCC1	920750672	IBRZMFWCRGNSMO-UHFFFAOYSA-N	304.394	1.956	50	20	DDGD	
CS/C=C\C(=O)NNC(=O)c1cccc(OC(F)F)c1	751580745	UPCVZWGHKMUBEV-WAYWQWQTSA-N	302.302	1.926	50	20	DDGD	
CCC[C@H](O)CC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	750069700	YRRIIGQTYBDITD-KGLIPLIRSA-N	322.405	1.769	50	20	DDGD	
CCC1(C)CCC(=NNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1	751526857	RKXCMPGARXUTIF-NBFOIZRFSA-N	315.439	1.819	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@H]1CCCN1C1CCCC1)C1CC1	855098472	IBLMDEWJDJXIAP-BXUZGUMPSA-N	324.494	1.687	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NNC(=O)CC(C)C	858284469	IYMLBJAIWFITKJ-NSHDSACASA-N	315.414	1.825	50	20	DDGD	
CCOC(=O)CC[C@H](O)CNC[C@]1(C)C[C@@H]1Br	857241578	YLRFOYDEYIFXDZ-NHCYSSNCSA-N	308.216	1.454	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)NC1CC(F)(F)C1	759343659	SYAQWQRGQNLZLI-UHFFFAOYSA-N	315.345	1.979	50	20	DDGD	
C[C@]1(CNC(=O)NCCC[C@H]2CCCN2)C[C@H]1Br	857106531	QVXOEGBLFSRXQG-NQBHXWOUSA-N	318.259	1.991	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2cncc(F)c2)cn1	759490545	QFPFZQIKEYXXAH-UHFFFAOYSA-N	321.337	1.256	50	20	DDGD	
CC(=NNC(=O)c1nn(-c2ccccc2)cc1O)c1nccn1C	755577385	UFJAPHMASLRTEB-UHFFFAOYSA-N	324.344	1.465	50	20	DDGD	
CCOCCn1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cn1	857155449	RLRSWAITOFEMEI-UHFFFAOYSA-N	319.321	1.585	50	20	DDGD	
CC1(C(=O)NNc2cc(C#N)ccc2Br)COC1	855617075	AIEHJVGAXRWCKT-UHFFFAOYSA-N	310.151	1.800	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1cc2c(cc1O)OCO2	759286033	UJZAARJJJNKCEO-UHFFFAOYSA-N	318.245	1.181	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC[C@@H]2CCCS2)cc1	757254412	KIWVJXYUCFQBIL-ZDUSSCGKSA-N	323.418	1.600	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1cnc2nccnc2c1	760412782	KEDYQPVKJIOCEF-UHFFFAOYSA-N	305.301	1.658	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1cc(Cl)cnc1Cl	867255467	IKDQSZVBMHZYRV-UHFFFAOYSA-N	314.150	1.280	50	20	DDGD	
CSCCNC(=S)NNC(=O)CCc1nc(C)cs1	768162913	IMOSCFHTLQALJZ-UHFFFAOYSA-N	318.493	1.242	50	20	DDGD	
CC(C)(NC(=O)C(F)(F)F)C(=O)NN=c1cc[nH]cc1Cl	760509268	DKSUPXGHNCRDIU-UHFFFAOYSA-N	324.690	1.057	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C)n([C@@H](C)CC)n1	764080777	ALSDYIMNCZVFSS-UWVGGRQHSA-N	323.397	1.295	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)[C@@H]1C[C@H]1c1ccco1	863867666	HIMILUHJOUSNPV-GHMZBOCLSA-N	316.313	1.315	50	20	DDGD	
Cc1cc(=NNC(=O)C(=O)Nc2cc(C(C)C)on2)cc[nH]1	861957695	FWWQCTXSGGSXCU-UHFFFAOYSA-N	303.322	1.005	50	20	DDGD	
Cc1ccc2c(c1)N(C(=O)C(=O)NNC(=O)C(C)(C)C)CC2	761063194	CYNQCDXWLIIVAN-UHFFFAOYSA-N	303.362	1.078	50	20	DDGD	
N#CCc1ccccc1C(=O)NNC(=S)NCC1CCC1	869217100	NKXXBOWKIMFCGI-UHFFFAOYSA-N	302.403	1.662	50	20	DDGD	
COc1nccnc1NNC(=O)CCCOc1cccnc1	764470449	QSPFFLHDEYOFFF-UHFFFAOYSA-N	303.322	1.183	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccn(-c2ccc(F)cc2F)n1	766640410	OPSVIVNJQOQZHX-UHFFFAOYSA-N	323.303	1.505	50	20	DDGD	
CC1(C)[C@H](C(=O)O)[C@H]1C(=O)NC[C@@]1(C)C[C@@H]1Br	872882470	HKDYZIZSCNIXKY-GLTNYXDESA-N	304.184	1.633	50	20	DDGD	
CS[C@@H](C)CCC(=O)NNC(=O)COc1ccccc1O	773340852	IDPXLHUPJKSNBK-JTQLQIEISA-N	312.391	1.450	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@]2(C)CCCOC2)c1	874950101	NTOMRTREVBDGEC-MRXNPFEDSA-N	317.414	1.802	50	20	DDGD	
CCOC(=O)C(F)(F)[C@@H]1CCCC(=NNC(=O)CN(C)C)C1	772842577	PRCXTWRZFOWGTA-SNVBAGLBSA-N	319.352	1.409	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@@H]2CC[C@@H](C)C2)c1	776452647	IRBFEVOWGIBFMM-VXGBXAGGSA-N	305.378	1.691	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1F	777869306	HDNVYZNIZGYJMP-WUFUFFIZSA-N	307.281	1.792	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1C[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C	870396770	PLVVSZGNNWOXMD-WEVJOFGFSA-N	323.393	1.944	50	20	DDGD	
COCCn1cc(NC(=O)NNC(=O)CC(C)(C)C)ccc1=O	1116585738	JGHSZFSFKZDEFX-UHFFFAOYSA-N	324.381	1.084	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)[C@H]1COc2ccccc2O1	770595662	SMBNELGDCNFESS-OAHLLOKOSA-N	314.345	1.273	50	20	DDGD	
COc1ccc2cc(C(=O)NNC(=O)CN(C)C)sc2c1	878681176	HYBLPDHYJSMGQD-UHFFFAOYSA-N	307.375	1.233	50	20	DDGD	
CC[C@H](CO)C(=O)NNC(=O)c1ccc(Cl)cc1OC	779732953	PYQUWPZEWVRIGN-MRVPVSSYSA-N	300.742	1.128	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNc2ccc(Cl)nn2)cn1C	770065752	FRJVZXVGKWZFOC-UHFFFAOYSA-N	324.728	1.404	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)NNc1ccc(F)cn1)C2	874647569	XHIBHGVFPPJPPO-DLOVCJGASA-N	320.324	1.307	50	20	DDGD	
CC(C)Oc1ccccc1[C@@H](C)NCC(=O)NNC(=O)C1CC1	774979060	GISCUGCQMQLKMU-GFCCVEGCSA-N	319.405	1.682	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CS[C@@H]2CCCOC2)cc1	779831023	UWRPRCCNVIPKLF-CYBMUJFWSA-N	319.386	1.231	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc3cccnn23)c(O)c1	779382047	JQGGQHJMOQNQOI-UHFFFAOYSA-N	310.313	1.423	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1cn[nH]c1	772971843	PARJEJHEJFROJP-MRVPVSSYSA-N	308.725	1.292	50	20	DDGD	
COC(=O)Cc1ccc(OS(=O)(=O)CCCCl)c(F)c1	882054214	LEKSPKOFCICVMJ-UHFFFAOYSA-N	324.757	1.879	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)CCN1CCCCCC1	770591164	IKBRIYLZPBWJBD-UHFFFAOYSA-N	305.426	1.699	50	20	DDGD	
CCc1noc(C)c1C(=O)NNc1cccc(S(C)(=O)=O)c1	776715383	UFNPJGZCMUIOCH-UHFFFAOYSA-N	323.374	1.706	50	20	DDGD	
O=C(CCN1CCOCC1)NNc1c(F)cccc1Cl	771672432	AOUMOQSOLSXOJS-UHFFFAOYSA-N	301.749	1.645	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)N[C@@H]1CCO[C@H]1C1CC1	1122171457	JWRLZGRKTNUUPG-KOLCDFICSA-N	319.390	1.885	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)Cc1ccccc1OC	770602295	OLGDDFVTQXFJSX-UHFFFAOYSA-N	300.362	1.684	50	20	DDGD	
Cc1cnccc1C(=O)NNc1nc2ccccc2c(=O)n1C	771357536	YSHUSVCAVLIQSF-UHFFFAOYSA-N	309.329	1.394	50	20	DDGD	
Cn1nc2c(c1NC(=O)NNC(=O)CC(F)(F)F)CCCC2	880620954	SHVGPPPHOGTAGN-UHFFFAOYSA-N	319.287	1.404	50	20	DDGD	
C[C@H](CCc1ccccc1)NC(=O)NNC(=O)C1CCOCC1	883038302	DTGVDYUIWDKOGO-CYBMUJFWSA-N	319.405	1.765	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCC(=O)OCC1CC1	781084231	ITUFZJKTDILNCR-SNVBAGLBSA-N	306.200	1.865	50	20	DDGD	
CC(=O)CC(C)(C)CC(=O)NNC(=O)c1ccc(C)c(O)c1	882050177	QJBHSTQHJYUMPB-UHFFFAOYSA-N	306.362	1.857	50	20	DDGD	
CC[C@@H]1CCC[C@@H](C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1	783831311	KFQPFHSNWQHTTH-UPJWGTAASA-N	315.439	1.675	50	20	DDGD	
Cn1nccc1COCC(=O)OC[C@]1(C)C[C@H]1Br	1123040554	UBJJULIEEZLAEN-PWSUYJOCSA-N	317.183	1.653	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@H]1CSc2ccccc21	883426003	GVKFQJNKGQDZBI-LBPRGKRZSA-N	321.402	1.590	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(-n2ccnc2)nn1)c1cccs1	788174137	FPCKFVJMPFCADU-SNVBAGLBSA-N	314.374	1.971	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)NCC2	784764854	CLUVBOFBGYGQLB-UHFFFAOYSA-N	324.340	1.054	50	20	DDGD	
CC(C)C[C@H](CCO)CNS(=O)(=O)CBr	782461971	WZHIPGFKLGVOCX-VIFPVBQESA-N	302.234	1.303	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1cnn(CC2CCC2)c1	896969159	AMOPWHPFFNYPMM-UHFFFAOYSA-N	307.398	1.560	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)NNC(=O)COc2ccccc2O)C1	780784194	LMFDTIPBUBQMTA-MNOVXSKESA-N	307.350	1.290	50	20	DDGD	
O=C(NNC(=O)c1cccc(O)n1)c1cc(-c2ccccc2)on1	785749517	OHUZKRSKLMTZGA-UHFFFAOYSA-N	324.296	1.517	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2coc(C)c2)c1	780170729	BBLZZSMCWSSCLA-UHFFFAOYSA-N	304.302	1.680	50	20	DDGD	
CN1CCC[C@@H]1c1cc(C(=O)NNc2ncc(F)cc2F)n[nH]1	897942523	IXKPGINHVOKHHU-GFCCVEGCSA-N	322.319	1.607	50	20	DDGD	
O=C1COc2ccc(C(=O)NNc3ncncc3Cl)cc2N1	781804331	GWVFJVIEIUIUHR-UHFFFAOYSA-N	319.708	1.218	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@H]2CCC(F)(F)C2)c1	794863160	DYZBGIDHLSNDML-NSHDSACASA-N	311.332	1.949	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCCCC1)C(C)(C)n1cncn1	794479000	UJOQFXGWLOVSJK-ZDUSSCGKSA-N	320.441	1.627	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(C#N)oc2C)nc1	797959287	HWYDIXZFIOAWMV-UHFFFAOYSA-N	300.274	1.398	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccn(-c2cccc(C#N)c2)n1	798933239	SCNKTHBLANTMMM-UHFFFAOYSA-N	312.333	1.098	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2ncc(Cl)n2C)c1	799468228	RRLRRABFPYSBGV-UHFFFAOYSA-N	306.753	1.911	50	20	DDGD	
CC(=NNC(=O)c1ccc(C)cc1O)C(C)(C)n1cncn1	794496726	NCTIBYHJWCPPAR-UHFFFAOYSA-N	301.350	1.833	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)c2n[nH]cc2C)cc1	799406647	BXUOAUGIVYAWAG-UHFFFAOYSA-N	319.390	1.748	50	20	DDGD	
Cc1nnc(NNC(=O)C[C@@H](CC#N)c2ccccc2)nc1O	794907032	NGIJSYOTWAMVEZ-GFCCVEGCSA-N	312.333	1.416	50	20	DDGD	
CCC/C=C/C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	794717300	LTJJAWOPKCLBCX-VOTSOKGWSA-N	311.407	1.736	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cn(C)c2ccc(F)cc12	794849693	FLDIRCGHWKTXJV-LLVKDONJSA-N	321.352	1.819	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1ccnn1C(C)(C)C	792376531	VQUKPQRRGXRFJC-UHFFFAOYSA-N	316.365	1.423	50	20	DDGD	
COc1cccc(-c2nc(/C=C(/C#N)S(N)(=O)=O)cs2)c1	798231514	IOTFIMJXJQAZQZ-SDQBBNPISA-N	321.383	1.972	50	20	DDGD	
Cc1nc(C(=O)NNc2nncc(N)c2Cl)ccc1C#N	1319237368	ZLLFKNXBUNEFSF-UHFFFAOYSA-N	303.713	1.044	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCC[C@H]2CCCN2)cc1	1325327422	UWIUEUAHBBMWCC-CYBMUJFWSA-N	320.393	1.171	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNc2ccn(C)n2)cc1OC	1328773634	WTUHZXFGUWUPQC-LLVKDONJSA-N	318.377	1.759	50	20	DDGD	
Cc1ncc(C(=O)NNC(=S)N[C@@H](C)C2CC2)c(C2CC2)n1	1329349839	MGYCYRMPIPUQPD-QMMMGPOBSA-N	319.434	1.570	50	20	DDGD	
CCOCc1ccc(NC(=O)C(=O)NNc2cccnn2)cc1	1321667340	FETBFCCTXCXXBS-UHFFFAOYSA-N	315.333	1.095	50	20	DDGD	
CC[C@@H](CS(=O)(=O)NNC(=O)c1ccccc1Cl)OC	1325458906	LRVVKFVHXRANCS-VIFPVBQESA-N	320.798	1.329	50	20	DDGD	
COc1nccnc1NNC(=O)CCCC(=O)OC(C)(C)C	1326428543	ZLWZTADBXKYIAS-UHFFFAOYSA-N	310.354	1.440	50	20	DDGD	
CCCN1CCCC[C@H]1C(=O)NNC(=S)NC(C)(C)C	1331921168	KJDCJNOYMQIRNZ-NSHDSACASA-N	300.472	1.545	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1nccc(Cl)c1F	1332799027	ZDQQPSBMGKBVJZ-UHFFFAOYSA-N	301.705	1.062	50	20	DDGD	
O=C(CCc1nc2cccnc2[nH]1)NNc1nccnc1Cl	1251873984	IQBGBSQRXAEMAZ-UHFFFAOYSA-N	317.740	1.477	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCCn2cccn2)cc1	1251385028	TZMUZWRSLDDZMQ-UHFFFAOYSA-N	302.334	1.133	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@@H](C)c1cc(F)ccc1N(C)C	1263317223	RKAZWMOEDUEMDW-JTQLQIEISA-N	310.373	1.939	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H]2CCOC2)c1F	1348045977	KJDUQEKTEVRNBE-VIFPVBQESA-N	311.313	1.275	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2cc(N(C)C)ccn2)nc1	1340675570	CQLQYNUWNKMLIA-UHFFFAOYSA-N	300.366	1.677	50	20	DDGD	
CCc1cc(OCC(=O)NNc2cnnn2C)ccc1Cl	1351217391	QYPMOGNFNWSGRK-UHFFFAOYSA-N	309.757	1.553	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2cc(C(=O)O)oc2C)n1	1607929289	AJRPEINNHXPCRP-UHFFFAOYSA-N	307.331	1.744	50	20	DDGD	
CO[C@@](C)(C(=O)O)C(=O)OC[C@H](CBr)C1CC1	1604461392	IMMOWMJIUVHYCE-KWQFWETISA-N	309.156	1.440	50	20	DDGD	
O=C(O)c1ccc(-c2ccc(CN3CC[C@H](B(O)O)C3)o2)cc1	1608868653	ZELWWBYSWXXBBO-ZDUSSCGKSA-N	315.134	1.694	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)c1cnc(C2CC2)[nH]1	1608480869	WLYOLKGWPDPLQO-UHFFFAOYSA-N	304.281	1.881	50	20	DDGD	
Cc1cccnc1C(=O)NN=Cc1cc(C(=O)O)c(C)n1C	1600589679	DTGLPUNUFSKKEU-UHFFFAOYSA-N	300.318	1.499	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCc1ccc(-c2nn[nH]n2)c(F)c1	1609492731	XDDCIEMFPBVFAF-WZUFQYTHSA-N	313.292	1.909	50	20	DDGD	
Cc1cnc(COCC(=O)NNc2cccc(C(=O)O)c2F)o1	1600621479	ASYUXPOQKOXIHZ-UHFFFAOYSA-N	323.280	1.480	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)C(=O)c1ccc(F)cc1	1608483167	SWSTZDDDZQHIBW-UHFFFAOYSA-N	302.261	1.850	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)C2(O)CCSCC2)cc1F	1610835777	TZSYAYLKLDGNGG-UHFFFAOYSA-N	314.338	1.225	50	20	DDGD	
O=C(NCc1ccc(C2CCCCC2)cc1)NNC(=O)C(=O)O	1610697308	FHJSPTFSQCBYBY-UHFFFAOYSA-N	319.361	1.649	50	20	DDGD	
CC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(F)F)C2	1800069301	CRHINRDSRGRVNH-JXUBOQSCSA-N	308.756	1.907	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCCCCN	1576285324	DZTIBQPGWRKODX-LLVKDONJSA-N	311.357	1.260	50	20	DDGD	
NCCCCCC(=O)NNC(=O)Nc1scnc1C1CC1	1580292681	JRNRAFUHOHCIAI-UHFFFAOYSA-N	311.411	1.692	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCC[C@](N)(CO)C1	1580035669	CQPVKOCILKGHOO-LPDYGMJQSA-N	303.337	1.045	50	20	DDGD	
COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)C(C)(C)F)C2	1846361746	MPKBHXIBFYSKFT-JTQLQIEISA-N	320.792	1.192	50	20	DDGD	
Cn1c(C(=O)NNc2cc(F)ccc2F)ccc1-c1nn[nH]n1	1592549513	GHLXFXQCVAADAV-UHFFFAOYSA-N	319.275	1.240	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1c[nH]c2nccc-2c1	1593167832	SBYRNMMUBDBSEI-UHFFFAOYSA-N	320.316	1.452	50	20	DDGD	
O=C(NNc1ccccn1)Nc1sccc1-c1nn[nH]n1	1593167030	UJRGHHNKBLCUNQ-UHFFFAOYSA-N	302.323	1.472	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(C(=O)O)o2)c(F)c1	1598983046	YPQGSTKNPFYPLM-UHFFFAOYSA-N	322.248	1.660	50	20	DDGD	
O=C(NN=Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CCCC1	1593155137	AYDMUDQSFWLOMJ-UHFFFAOYSA-N	302.313	1.646	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2snc(C)c2C(=O)O)cc1O	1776103431	IKSZBTQZQZKNCE-UHFFFAOYSA-N	319.342	1.928	50	20	DDGD	
CCOc1ccc(C=NNC(=O)C[N+](C)(C)C)cc1OCC	17323750	WKIFUNPVZHBRAD-UHFFFAOYSA-O	308.402	1.640	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1cc(F)cc(F)c1	151240358	WHMLBVZMWUAAFK-UHFFFAOYSA-N	306.272	1.755	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2Cl)[nH]n1	152949078	JUMYKOMNJUXGCF-UHFFFAOYSA-N	323.696	1.355	50	20	DDGD	
O=C(Cc1cccc(F)c1)NCC(=O)NNc1ccccc1F	152967446	VPRJXGZUGQRTGA-UHFFFAOYSA-N	319.311	1.767	50	20	DDGD	
O=C(/C=C/SCc1ccco1)NNC(=O)Cc1cccnc1	152289933	KLODJBHEQZVQAZ-VMPITWQZSA-N	317.370	1.812	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccn(C2CCCC2)n1	153234419	ANSLUJAYLDGZAD-UHFFFAOYSA-N	302.338	1.105	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNc1ccc(C#N)cc1	155273864	TYBBGBLBJCYHHN-UHFFFAOYSA-N	302.378	1.944	50	20	DDGD	
CC(C)(C)OC(=O)N1CCN(C(=O)N2CC=C(C#N)CC2)CC1	277788443	UXDCLWCNPSBQSV-UHFFFAOYSA-N	320.393	1.815	50	20	DDGD	
O=C(NNC(=O)N1CCO[C@H](c2ccco2)C1)c1ccccc1	119099741	GHUYMGQLHOQHEX-AWEZNQCLSA-N	315.329	1.708	50	20	DDGD	
CC(C(=O)NNC(=O)CNC(=O)c1ccco1)=C1CCCC1	176601777	JNIGKUPZONVVEC-UHFFFAOYSA-N	305.334	1.047	50	20	DDGD	
COc1cc2c(cc1OC)CN(S(=O)(=O)CCl)CC2	104341745	MJRCTVKBFGYAJR-UHFFFAOYSA-N	305.783	1.588	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1c[nH]c2ccccc2c1=O	118501436	SDKIRQQTSZVRDG-UHFFFAOYSA-N	315.720	1.728	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)C2[C@H]3CCC[C@H]23)nc2ccccc21	178088826	XJTMYOWMUHVLMQ-QWRGUYRKSA-N	312.373	1.309	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCc1nc(-c2ccoc2)no1	119840085	MCNQZWKYFVRGPW-UHFFFAOYSA-N	321.337	1.393	50	20	DDGD	
Cc1ccc(C(=O)N(C)C)cc1NC(=O)NNC(=O)C(C)(C)C	179760741	JIQPMKNIXHFRBR-UHFFFAOYSA-N	320.393	1.896	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1F)C1=COCCO1	175818523	HZOTXTXQORFYDN-UHFFFAOYSA-N	300.673	1.128	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCOc1cccc(C)c1C	65205659	JFFYIVYUPLOAKI-UHFFFAOYSA-N	323.393	1.439	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1cccc2c1OCCO2	114897256	KXKDCDWAHHTEEK-UHFFFAOYSA-N	306.709	1.658	50	20	DDGD	
CN(C)C(=O)CCNC(=O)NNc1cc(F)c(F)cc1F	172136844	LAOKSSHEEAUAKB-UHFFFAOYSA-N	304.272	1.208	50	20	DDGD	
COCCN(C)CCNC(=O)NNc1c(F)cccc1F	118575351	YVGNNJZHODIUGQ-UHFFFAOYSA-N	302.325	1.169	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)Cc2ccccc2F)n[nH]1	66839867	SDLMMQPUNZHACP-UHFFFAOYSA-N	304.325	1.676	50	20	DDGD	
Cc1nccn1CCCCNC(=O)NNC(=O)CC(C)(C)C	173431931	USQOVQAOULQYIT-UHFFFAOYSA-N	309.414	1.738	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H](C)OC[C@H]1CCCO1	67435116	IOMOBLWSRCVFFO-VXGBXAGGSA-N	322.361	1.040	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccccc1	172161402	QVXJJIYPNQNZRI-TUVASFSCSA-N	317.389	1.831	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1ccc(OC(F)F)cc1	61480100	FWUXPQLHOSRYLW-UHFFFAOYSA-N	315.345	1.512	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	61544189	UFAWZPJGJGHGPX-UHFFFAOYSA-N	321.421	1.265	50	20	DDGD	
CC(C)CC1(CNC(=O)NNC(=O)Cc2ccncc2)CC1	126700002	TVVKKPUPABCCPO-UHFFFAOYSA-N	304.394	1.781	50	20	DDGD	
Cn1nc(C(=O)NCC(Cl)Cl)cc1Br	837645411	ZOFIBMACYXNURK-UHFFFAOYSA-N	300.971	1.716	50	20	DDGD	
COc1ccc2c(c1)C[C@@H](C(=O)NNc1ncccn1)CO2	124476375	ROQILLNQDXOYGT-LLVKDONJSA-N	300.318	1.180	50	20	DDGD	
Cn1c(NNC(=O)c2cccc(F)c2)nc2ccccc2c1=O	70919621	AHKCAIXDSXDHAI-UHFFFAOYSA-N	312.304	1.830	50	20	DDGD	
CC(C)Cn1cc(C(=O)NNC(=O)c2ccc(C#N)cc2)cn1	182927367	KHHJPJZOGFFFKE-UHFFFAOYSA-N	311.345	1.486	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@H](C(=O)NNc2ncc(F)cn2)C1	123419336	GZYONZQXDGMDJM-JTQLQIEISA-N	323.372	1.344	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2c(C)ccn2C)c1	188896472	NCZOVLWFDMNVEP-UHFFFAOYSA-N	301.346	1.482	50	20	DDGD	
O=C(NNc1cccc(F)c1)C(=O)Nc1ccc2[nH]ncc2c1	120879862	UPLJCZKKMJRFIF-UHFFFAOYSA-N	313.292	1.784	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2nc3ccccn3n2)o1	184395742	NUPHSXWOXRVSNM-UHFFFAOYSA-N	300.278	1.097	50	20	DDGD	
COc1cc(F)c(NC(=O)NNC(=O)c2cccnc2)cc1F	125365398	JBUZKOZFJDBGLZ-UHFFFAOYSA-N	322.271	1.835	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cccnc1N1CCCCC1	72009425	GWQFBDKDAOLAJF-ZDUSSCGKSA-N	318.377	1.012	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1cc([N+](=O)[O-])cnc1O	184515737	JCFHZEDHIIZCRC-UHFFFAOYSA-N	306.253	1.900	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cnn([C@H](C)C3CC3)c2)n1	189828997	CEDNBWZYWUJMHT-SECBINFHSA-N	317.353	1.801	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNc1nc2ccccc2c(=O)[nH]1	137187638	MZQKEHDMUCFOJL-CYBMUJFWSA-N	315.377	1.241	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)NCC2CC2)cc1	45459695	WSZHSNBGXKXLHV-LLVKDONJSA-N	321.377	1.593	50	20	DDGD	
O=C(NCc1ccoc1)NNC(=O)c1ccc2ccccc2n1	47089435	NKIUOFDPZJJGOV-UHFFFAOYSA-N	310.313	1.972	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccccc1N1CCCC1	183017118	AHSPBWWGBCDPJL-UHFFFAOYSA-N	306.366	1.476	50	20	DDGD	
CC(=O)[C@H]1CC(C(=O)NNc2ncccn2)=NN1c1ccccc1	130319531	YQTHCRFFZJIPEM-CQSZACIVSA-N	324.344	1.144	50	20	DDGD	
CS[C@@H]1CCC[C@H](NS(=O)(=O)CBr)C1	227979392	VHPQYYVEMRUGGD-JGVFFNPUSA-N	302.259	1.932	50	20	DDGD	
NC(=O)NCc1ccc(C(=O)NNc2ccc(F)cc2)cc1	45971075	QHPQZUXRVOJLEZ-UHFFFAOYSA-N	302.309	1.751	50	20	DDGD	
CC(=O)c1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2)n(C)c1	133876527	CNGAOGBEZNJLOG-UHFFFAOYSA-N	302.290	1.893	50	20	DDGD	
Cc1ccc(C#N)cc1NC(=O)C(=O)NNc1ccnc(F)c1	190305443	GHNIUGCJLZPMTC-UHFFFAOYSA-N	313.292	1.483	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@H]2CCCOC2)cc1	193975319	AWFHAMXTJFLAHX-CYBMUJFWSA-N	305.378	1.620	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cc([N+](=O)[O-])ccc1Cl	46595326	CEDCIHWZOPRTMV-JTQLQIEISA-N	313.697	1.188	50	20	DDGD	
CCC1CC(=O)C(=CNNC(=O)Cc2ccc(F)cc2)C(=O)C1	194962292	YDRGKSJVPXDPFO-UHFFFAOYSA-N	318.348	1.831	50	20	DDGD	
N#Cc1ccc(CNC(=O)NNc2cncc(Cl)n2)cc1	193338195	AFFBMWYAVOAWOW-UHFFFAOYSA-N	302.725	1.828	50	20	DDGD	
CC[C@@H](C)[C@H](C)NC(=O)NNC(=O)COc1ccc(F)cc1	98120780	QSBKHOMMNFJZNE-MNOVXSKESA-N	311.357	1.970	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNc2nc(C)cc(OC)n2)c1	266898904	GYBYYQUWWHOHMZ-UHFFFAOYSA-N	318.333	1.568	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c[nH]1	264874014	RRUDLWBFIRAICE-UHFFFAOYSA-N	302.378	1.696	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@H](C)C(C)(C)C	265222141	XLOWBTDIAYPRLK-NSHDSACASA-N	307.394	1.937	50	20	DDGD	
C[C@H]1CC[C@@H](CC(=O)NNC(=O)COc2ccccc2O)C1	268261110	KOYWUKRLHFFYQT-NWDGAFQWSA-N	306.362	1.745	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C	369789354	IBBNNSKZLCHRDJ-CYZMBNFOSA-N	311.426	1.957	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNc1cccc(C(=O)OC)c1	272815899	MAULNKSSABMRMU-CQSZACIVSA-N	305.378	1.791	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NOC2CCCC2)c1	271660164	XORWYGLHTDSIAO-UHFFFAOYSA-N	307.350	1.578	50	20	DDGD	
CC1CCN(C(=O)C(=O)NNc2ccccc2[N+](=O)[O-])CC1	274554431	BFQGGZQHFJEIEI-UHFFFAOYSA-N	306.322	1.296	50	20	DDGD	
CC(C)[C@@H]1C[C@H](NC(=O)NNc2ccc(Cl)nn2)CCO1	271490130	JFUFCKDWUJAPSC-ZJUUUORDSA-N	313.789	1.960	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1	272535361	NBQOUQRYRUNVGG-UHFFFAOYSA-N	315.276	1.880	50	20	DDGD	
CC[C@@]1(C)CN(C(=O)NNC(=O)c2ccccc2OC)CCO1	276951727	QTVIGXGOWANYFB-INIZCTEOSA-N	321.377	1.551	50	20	DDGD	
CCN(CC)C(=O)c1ccccc1NC(=O)NNC(=O)C1CC1	274088643	MYUHCKBMYQHFIX-UHFFFAOYSA-N	318.377	1.731	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	272602371	PTLKCQAZTMTOEV-UHFFFAOYSA-N	315.717	1.946	50	20	DDGD	
CCC[C@@H](NC(=O)c1c(C)nn(CCCl)c1C)C(=O)O	273169016	DFLLFQPYTQTOHN-SNVBAGLBSA-N	301.774	1.722	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@H]2CCCCS2)c1	272948173	JSVICACCKRTPFS-CYBMUJFWSA-N	308.403	1.807	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CC23CCOCC3)c1	371587637	FTJZHKWUWBMHBK-ZDUSSCGKSA-N	304.346	1.733	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNC(=O)COc1ccc(C#N)cc1	272091845	IYGIPUKEEUOMAN-GFCCVEGCSA-N	319.361	1.147	50	20	DDGD	
CSCC(C)(C)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	282505519	JWZCUMFTXFLUBJ-UHFFFAOYSA-N	311.363	1.745	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ncsc2C(C)C)[nH]n1	289734765	PEUDGHRGRNNBDZ-UHFFFAOYSA-N	308.367	1.765	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CCc1cnn(C)c1	288609276	INXJRWSAKQEEEY-UHFFFAOYSA-N	303.322	1.713	50	20	DDGD	
COC(=O)NNC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C	289508339	LLVVRQGJBRZGNS-UHFFFAOYSA-N	314.651	1.251	50	20	DDGD	
CSSCCNC(=O)c1cn(CC(=O)C(C)(C)C)nn1	284176733	RVBOJAATZSBTSX-UHFFFAOYSA-N	316.452	1.634	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)CCc1ccc(OC)cc1)C(C)C	281093548	PIRGBQXEJDQKNC-OAHLLOKOSA-N	317.389	1.616	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cc(C3CC3)no2)cc1	282173319	XIOVOOOSEITYDZ-UHFFFAOYSA-N	314.345	1.734	50	20	DDGD	
COC(=O)CSCCC(=O)NNc1nccnc1C1CCC1	287283969	UCQZGQACFUNRSO-UHFFFAOYSA-N	324.406	1.484	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CCCO2)c(OC)c1	292833922	PXKBBXVSUMBVQZ-NSHDSACASA-N	309.322	1.036	50	20	DDGD	
O=C(CN1CCC[C@@H]2CCC[C@@H]21)NNC(=O)c1ccc(F)cc1	299357776	RCWPTSMXHVDCCL-WFASDCNBSA-N	319.380	1.851	50	20	DDGD	
C[C@H]1CCC[C@H]1NCC(=O)NNC(=O)c1ccccc1Cl	800391258	RGZRZEWHNOOJGM-GXFFZTMASA-N	309.797	1.879	50	20	DDGD	
C[C@@H](CO[C@@H]1CCOC1)NC(=O)NNc1cccc(Cl)n1	292969104	ICCURUJDRIASLA-VHSXEESVSA-N	314.773	1.555	50	20	DDGD	
CCC(CC)(CCO)N[C@H](C)C(=O)NNC(=O)CC(C)C	801587938	YPRUTGFSCFJNIC-GFCCVEGCSA-N	301.431	1.099	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1ccccc1S(C)(=O)=O)C(C)(C)C	808312912	IRJFNAPJXGZYHZ-CYBMUJFWSA-N	323.418	1.764	50	20	DDGD	
CN1CCc2ccc(NC(=O)NNC(=O)[C@@H]3CCCCO3)cc21	296432710	SNWDHLLSRONFMT-AWEZNQCLSA-N	318.377	1.401	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccccc1OC1CC1	806794039	OFGLNYXDZFSXPY-UHFFFAOYSA-N	311.341	1.627	50	20	DDGD	
CS[C@H](C)CCC(=O)NNc1ccc(-n2ccnc2)nn1	804956866	HCGFNTSJGAYCJS-SNVBAGLBSA-N	306.395	1.637	50	20	DDGD	
CCOCCNC(=O)NNC(=O)Nc1cc(F)cc(F)c1	296159525	AROXOHSNPAJIBC-UHFFFAOYSA-N	302.281	1.337	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N=c2cc[nH]cc2)ccc1Cl	802034910	ZZOUMXKJLKDLIH-UHFFFAOYSA-N	304.737	1.932	50	20	DDGD	
CC(=O)N1CC[C@@](C)(C(=O)NNc2ccc([N+](=O)[O-])cc2C)C1	805375031	BEZWUAIGBUGZHS-OAHLLOKOSA-N	320.349	1.605	50	20	DDGD	
COc1cnc(NC(=O)NNC(=O)c2cccc(C)n2)s1	806510790	CZLDRUABOLMMHZ-UHFFFAOYSA-N	307.335	1.322	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2ccncc2)n(C)c1C	800803898	PDVWZNSYSQGJNV-UHFFFAOYSA-N	300.318	1.279	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1cn2ccccc2n1)C(C)(F)F	293115121	DHUGZAUBEKYSTB-SECBINFHSA-N	310.304	1.316	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)c2ccc3c(c2)OCO3)nn1	807945358	MBCZUHFLSOOWCT-UHFFFAOYSA-N	301.306	1.352	50	20	DDGD	
C[S@@](=O)C1(CNC(=O)NNc2ncc(F)cc2F)CCC1	298209923	GGJDLQSSVHWYHW-OAQYLSRUSA-N	318.349	1.287	50	20	DDGD	
O=C(NN=Cc1cnccn1)c1cc(-c2ccc(F)cc2)[nH]n1	807976006	JVADGUVOSIKHFV-UHFFFAOYSA-N	310.292	1.770	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)nc1	297267067	UDDXXIRBAMENEP-NSHDSACASA-N	306.322	1.006	50	20	DDGD	
Cc1cc(NNC(=O)[C@@]23CC[C@@H](CC2=O)C3(C)C)nc(C)n1	295939636	SWZGSQVSXXUAMG-MEDUHNTESA-N	302.378	1.932	50	20	DDGD	
Cn1cccc1C(=O)NN=C1CC(C(=O)O)(c2ccccc2)C1	814779308	KDQYRTYGLVJSDX-UHFFFAOYSA-N	311.341	1.927	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCc2cncnc2)c1	816017183	UBGXETCPTFGVJB-UHFFFAOYSA-N	300.318	1.339	50	20	DDGD	
Cc1c[nH]nc1C=NNC(=O)COc1ccccc1[N+](=O)[O-]	814743791	NTEBNZSGWDSSDI-UHFFFAOYSA-N	303.278	1.155	50	20	DDGD	
Cn1c2c(ccc1=O)C(=NNC(=O)NCC(F)(F)F)CCC2	814812024	DPAZEIWTJGHMFY-UHFFFAOYSA-N	316.283	1.287	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)[C@@H](C)Oc1ccccc1F	811633634	QTDCZLXUCPRWMW-VXGBXAGGSA-N	321.352	1.754	50	20	DDGD	
Cc1ccc(NNC(=O)NC[Si](C)(C)c2ccccc2)nn1	812213467	GMUPWAKRWFBKOV-UHFFFAOYSA-N	315.453	1.566	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@H]2CCN(C)C[C@H]2C1	812324119	MJRCEJDCXIDZBR-KGLIPLIRSA-N	324.856	1.762	50	20	DDGD	
CCN(CCO)NC(=O)Cc1cc(Br)ccc1C	823889247	OCXMBWYXKVHBON-UHFFFAOYSA-N	315.211	1.645	50	20	DDGD	
C[C@H](CC(=O)O)C(=O)NNC(=O)Cc1ccc2ccccc2c1	827304341	RYEKEFRCDYUNDR-LLVKDONJSA-N	314.341	1.641	50	20	DDGD	
C#CCC[C@@H](O)CNC(=O)/C(C#N)=C\c1ccc(OCC)cc1	490876433	KFVFMFWOZFQJMP-UVQBRAAOSA-N	312.369	1.883	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cnc(F)c(Cl)c1)C1CC1	824446653	PEXYONGBLDAAMW-ZCFIWIBFSA-N	316.789	1.782	50	20	DDGD	
COc1cc(C(=O)NC[C@@]2(C)C[C@H]2Br)ncn1	826856558	DYBPKQCWBQTWRI-LDYMZIIASA-N	300.156	1.389	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(-c2ccnn2C)ccc1C	497273520	AWBGGPCVNDJFCB-UHFFFAOYSA-N	303.322	1.788	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2CC2(F)F)c1	822200760	ZTXRXVOESARALR-JTQLQIEISA-N	300.261	1.120	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)nc(C)n1	497281473	SMIXIWUKCSTAAC-JTQLQIEISA-N	323.397	1.792	50	20	DDGD	
C#CCO[C@@H](C)C(=O)NNC(=S)Nc1ccc(OCC)cc1	824130596	IEGLUJFYDUMPOT-NSHDSACASA-N	321.402	1.441	50	20	DDGD	
COC(=O)N(C)N=Cc1ccccc1OCC(=O)N1CCCC1	495677033	KVBSNSBIRVAPCO-UHFFFAOYSA-N	319.361	1.720	50	20	DDGD	
CCN(Cc1ccccn1)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	827288930	PTLHNMNJPKZFNA-WCQYABFASA-N	306.366	1.069	50	20	DDGD	
C[C@H](NC(=O)c1cc(B(O)O)ccc1F)[C@H]1CCC[C@@H](C)C1	584999088	IOAWZTKIGUGCRR-WOPDTQHZSA-N	307.174	1.450	50	20	DDGD	
O=C(CN1CCOC1=O)NNc1ccc(OC(F)F)cc1	821158532	LUYMDDUBIGTRBG-UHFFFAOYSA-N	301.249	1.183	50	20	DDGD	
O=C1CCCN1Cc1ccc(NCc2ccc(B(O)O)cc2)cc1	585011645	AAYJUTMXZPLNAE-UHFFFAOYSA-N	324.189	1.101	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1CCC[C@H]1c1cccs1	584924932	NFAKTGYPGROWKX-ZDUSSCGKSA-N	319.166	1.544	50	20	DDGD	
Cc1ccc(Br)c(C(=O)NN(C)C[C@H](C)O)n1	822556841	IILBBDHRJDOTRK-QMMMGPOBSA-N	302.172	1.110	50	20	DDGD	
CCN1C[C@H](C)N(C(=O)/C(C#N)=C\c2cnn(C)c2)C[C@@H]1C	491137275	XAMABXDZNDAPNR-BNWMYTBQSA-N	301.394	1.268	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@H]1CCC(F)(F)C1	826676389	CGFBSSZFDJSXDA-GUBZILKMSA-N	305.325	1.177	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	825459464	KVFDOPBFMFLGDA-CYBMUJFWSA-N	315.381	1.184	50	20	DDGD	
Cc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)Cc2cc[nH]n2)cc1C	826666195	CBSJYOHQEWLNRK-LSDHHAIUSA-N	312.373	1.520	50	20	DDGD	
C[C@H]1SCC[C@@H]1NC(=O)NNC(=O)COCc1ccccc1	826055811	LBZILGVOAISWLM-YPMHNXCESA-N	323.418	1.428	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@H]2CO[C@@H](C)C2)c(F)c1	828440575	ROGGGGYCMCFJAS-WCBMZHEXSA-N	311.313	1.416	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1	491081530	GRNCIBCBBQZPIK-OIKAXEKHSA-N	308.337	1.711	50	20	DDGD	
Cc1ncsc1CN(C)[C@H](C)C(=O)NNC(=O)CC(C)C	732202971	KIWSJEIEOIFNNQ-LLVKDONJSA-N	312.439	1.465	50	20	DDGD	
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NNC(=O)c1ccccc1	905046329	MNFIFGGQMHTVAG-QWHCGFSZSA-N	304.346	1.427	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)c1coc(C2CCCC2)n1	584911976	BJXCLEYAGGHSQP-UHFFFAOYSA-N	300.123	1.264	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H]1CCn2ccnc2C1	491175567	LMLHSVZLIYPDFX-XXYUJHKVSA-N	308.341	1.627	50	20	DDGD	
CC(C)COC[C@H](O)CNC(=O)[C@]1(C)C[C@@H]1Br	907010373	QJHYLDPFQOEBBC-JFGNBEQYSA-N	308.216	1.310	50	20	DDGD	
CNC(=O)NN=Cc1ccc(CNC(=O)OC(C)(C)C)cc1	901173857	XXIKHFRAMQOWST-UHFFFAOYSA-N	306.366	1.974	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N(CC1CCCCC1)C1CC1	584932778	RBNRLUWSDFMEIS-UHFFFAOYSA-N	319.185	1.690	50	20	DDGD	
CSCCNC(=S)NNC(=O)Cc1cc(C)cc(C)c1	831575455	KWRFIHHNMKMAIU-UHFFFAOYSA-N	311.476	1.704	50	20	DDGD	
OB(O)c1ccccc1CNCc1cccc(CN2CCCC2)c1	585032324	FORKCEXAEYJUCZ-UHFFFAOYSA-N	324.233	1.252	50	20	DDGD	
OB(O)c1ccc(CN[C@@H](CCc2ccccc2)C(F)F)cc1	585049279	NZIHMXDNVWJNNN-INIZCTEOSA-N	319.160	1.723	50	20	DDGD	
CCCc1nnc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)s1	831110073	HHBKYZPZUIKYRR-HTQZYQBOSA-N	313.383	1.068	50	20	DDGD	
O=C(NNC(=O)NC(CF)CF)Nc1cc(F)cc(F)c1	836532716	UNXLNFIIRULZCC-UHFFFAOYSA-N	308.235	1.608	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCC(CO)(CO)CC1	832561413	GGTYRQTZNMFTHG-NTEUORMPSA-N	318.348	1.326	50	20	DDGD	
CCS[C@H]1CCC[C@H](NC(=O)c2cccc(B(O)O)c2)C1	584960899	ORSACKMBBSMDDS-KBPBESRZSA-N	307.224	1.161	50	20	DDGD	
Cc1cccc(OCCCCC(=O)N2CC[C@H](B(O)O)C2)c1	585074963	DWONKYHPCMGJAW-AWEZNQCLSA-N	305.183	1.619	50	20	DDGD	
Cc1cc(NNC(=O)Cc2cc(F)cc3c2OCOC3)ncn1	734255200	JYSXKIDQMXIFJL-UHFFFAOYSA-N	318.308	1.476	50	20	DDGD	
CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)C2CCCC2)C1	734221229	MOTJPCZFBWSSHH-CHWSQXEVSA-N	324.425	1.154	50	20	DDGD	
N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(B(O)O)cc1F	585048519	RRMRLFQAWWPDEK-SFHVURJKSA-N	324.164	1.544	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCCc1ccccc1S(C)(=O)=O	830530571	VXULNUBIRRHTBX-QBFSEMIESA-N	322.386	1.193	50	20	DDGD	
Cn1cc(CN2CC[C@H](B(O)O)C2)c(-c2ccc(C#N)cc2)n1	585078086	YQZKABUKWKNXMM-HNNXBMFYSA-N	310.166	1.007	50	20	DDGD	
Cc1noc(C)c1C=NNC(=O)Cc1nc2ccccc2n1C	916313617	UUSYPOYPGVNJBG-UHFFFAOYSA-N	311.345	1.871	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCc1ccccc1)N(CC)CC	736010076	ODEQGGGSMJYVGC-OAHLLOKOSA-N	305.422	1.887	50	20	DDGD	
CC(C)N1CCC[C@@H](OC(=O)/C(C#N)=C/c2cnn(C)c2)C1=O	837972708	WMVDVFZRSQGYFN-WTWVRAIASA-N	316.361	1.270	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2c(C)nc3ccccn23)c(C)[nH]1	914751186	LVZXSCWUAZAJHE-UHFFFAOYSA-N	311.345	1.662	50	20	DDGD	
CO[C@H](CNC(=O)NNc1ccccn1)Cc1ccccc1	836545239	IYHKYBQAUISKGB-AWEZNQCLSA-N	300.362	1.965	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccccc2O)cc2c1OCO2	916270081	PXAJPDOMAHVEBJ-UHFFFAOYSA-N	314.297	1.893	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2ccc(N3CCOCC3)cc2)n[nH]1	916655908	RRCLIIWSBSFIOD-UHFFFAOYSA-N	313.361	1.319	50	20	DDGD	
CC(=NNC(=O)CCSc1ccc(F)cc1)c1cn(C)nn1	834929961	YYVRENBRYMANIN-UHFFFAOYSA-N	321.381	1.977	50	20	DDGD	
CN(C)c1nccc(NNC(=O)CSCc2cscn2)n1	747590150	AUWUGOGMTBUVTH-UHFFFAOYSA-N	324.435	1.376	50	20	DDGD	
COc1ccc2c(c1)OCC[C@@H]2NC(=O)NNC(=O)C1CCC1	743649831	OLBIHWCOQYWGGX-ZDUSSCGKSA-N	319.361	1.649	50	20	DDGD	
C[C@]1(C(=O)N2CC[C@H](c3cc(O)n[nH]3)C2)C[C@H]1Br	911854025	HJMJBWCBMJHNBG-VMAXQDLPSA-N	314.183	1.605	50	20	DDGD	
CCC(=O)Nc1cccc(CNC(=O)NNC(=O)C(C)(C)C)c1	916381723	QCRLUXCIXWFEJK-UHFFFAOYSA-N	320.393	1.912	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@H](C)C(F)(F)F)cc1	743319833	KNPHVBXGSFJYCP-VIFPVBQESA-N	318.295	1.974	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=S)NCC2CCC2)C1	912109094	DJRNATUKMVMLPM-CABZTGNLSA-N	321.450	1.371	50	20	DDGD	
CN(C)C(=O)NN=Cc1cc([N+](=O)[O-])ccc1OC(F)F	745602241	FPSRGNMYPAYKFV-UHFFFAOYSA-N	302.237	1.801	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)CNc2ccccc2F)c2ncnn21	841602424	GCDYJJWRXNDXIN-SECBINFHSA-N	302.313	1.314	50	20	DDGD	
COc1ccnc(NNC(=O)C[C@@H](C)n2nc(C)cc2C)n1	917099567	KNSQRXKCXFSOHV-LLVKDONJSA-N	304.354	1.393	50	20	DDGD	
CC1(C)[C@H](NC(=O)NNC(=O)CC(F)(F)F)[C@H]2CCCO[C@H]21	745860778	ZZHLMSHGCYWQLP-SZEHBUNVSA-N	323.315	1.473	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=CC1=Cc2ccccc2OC1	740762741	FURWKRBCSZTTHZ-UHFFFAOYSA-N	315.373	1.869	50	20	DDGD	
COC[C@@](C)(O)C(=O)NNc1cc(F)ccc1Br	840532373	QQYAMOXGSJQXKE-LLVKDONJSA-N	321.146	1.429	50	20	DDGD	
NC[C@H](NC(=O)NNc1ccc(OC(F)F)cc1)C1CC1	841946794	LSGQTVBVJZTETB-NSHDSACASA-N	300.309	1.651	50	20	DDGD	
CN(C)C(=O)NNC(=O)COCc1nc2ccccc2s1	746008798	VSNRFQWEKHJWKB-UHFFFAOYSA-N	308.363	1.115	50	20	DDGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)C(=O)NC1CC1	748497599	JTJZFTQUGSOXNF-UHFFFAOYSA-N	303.240	1.307	50	20	DDGD	
Cc1nc(O)nc(O)c1CCC(=O)NNc1cccc(F)c1	748101300	VLYAXLGMWMBCDA-UHFFFAOYSA-N	306.297	1.411	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CSc1nccc2ccccc12	910166133	MNKYBEMXNKXDKC-NSHDSACASA-N	305.403	1.671	50	20	DDGD	
CC(C)SCC(=O)NNC(=O)COc1ccc(F)cc1	914460524	AJVAWXRTQAXNFF-UHFFFAOYSA-N	300.355	1.494	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCCNC2CC2)cc1	841918581	PAFGCYKACATWDW-UHFFFAOYSA-N	304.394	1.335	50	20	DDGD	
Cc1nc2cc(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)ccc2o1	843658275	UFYVUHKAPOAMBS-KWQFWETISA-N	303.318	1.322	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)c2cccc3ccccc23)CN1	741581981	NKTBQDPEDWVUMH-LBPRGKRZSA-N	311.341	1.127	50	20	DDGD	
CC(=O)c1ccc(NC(=S)NNC(=O)[C@H]2CCCCO2)cc1	840776022	STKLIMHDYZFKRL-CYBMUJFWSA-N	321.402	1.776	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccnc(Oc2ccccc2)c1	910166310	UVZSHJIKALABRL-LBPRGKRZSA-N	301.346	1.831	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@H](C)c1ccc(Br)cc1	910154880	IFQVEBUNAXBTPX-NXEZZACHSA-N	315.211	1.896	50	20	DDGD	
Cc1ccccc1C(=O)NNS(=O)(=O)c1cnc(C(C)C)[nH]1	747596658	QNXWEGHLOBQGPY-UHFFFAOYSA-N	322.390	1.465	50	20	DDGD	
CCN1CCC(=NNC(=O)c2ccc3c(c2)OCO3)[C@@H](C)C1	741453531	SENAKCAOOUUXHJ-NSHDSACASA-N	303.362	1.863	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1CCN(C)[C@@H](C)C1	745855168	SCTRMZWWBJFMSI-STQMWFEESA-N	304.394	1.422	50	20	DDGD	
Cc1cccc2c1CCCN2CC(=O)NNC(=O)C(C)(C)C	744403538	RMRHYRYZIYKFIS-UHFFFAOYSA-N	303.406	1.941	50	20	DDGD	
CC(C)C(=O)NNC(=O)C[C@H](c1nccn1C)C(F)(F)F	847289631	OCRCTYVTEOVPAO-MRVPVSSYSA-N	306.288	1.260	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncc(Cl)cn1)C1=CCN(C)CC1	856883025	CJOVDWNISNEGNN-SECBINFHSA-N	310.789	1.407	50	20	DDGD	
O=C(NN=Cc1coc2ccccc12)[C@@H]1CN2CCC[C@@H]2CO1	853388327	DAEGHQSSZQJSSO-CJNGLKHVSA-N	313.357	1.746	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(OC)cc1OCC1CC1	854921195	ZKSXMKBDQUBTEP-UHFFFAOYSA-N	323.418	1.565	50	20	DDGD	
C[C@@H](CC(F)(F)F)NC(=O)NNC(=O)c1cccc(F)n1	852254695	FOJOQXNMWJXHCX-LURJTMIESA-N	308.235	1.506	50	20	DDGD	
CCOC(=O)C(F)(F)[C@H]1CCC(=NNC(=O)c2cc[nH]n2)C1	853392356	MXLQWJFREWFSNN-QMMMGPOBSA-N	314.292	1.494	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cncnc2C2CC2)n1	857541009	DCYOFUCTJKIIIM-UHFFFAOYSA-N	304.741	1.863	50	20	DDGD	
COC(=O)c1ccccc1CCC(=O)NNC(=O)CC(C)C	758231663	VHEIZUNAUISOCA-UHFFFAOYSA-N	306.362	1.599	50	20	DDGD	
CCC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(C)cc1	920385121	VMMWWTJPHUFFDR-ZDUSSCGKSA-N	323.418	1.595	50	20	DDGD	
O=C(C[C@@H]1COC(=O)C1)OC[C@@H](CBr)C1CC1	859597253	GUQKGKNGZPPGSC-PSASIEDQSA-N	305.168	1.904	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1ccccc1-c1cnn(C)c1	758931844	VOPKPMZZVFHTFS-UHFFFAOYSA-N	315.377	1.574	50	20	DDGD	
CC(C[C@@H]1CCOC1)=NNC(=O)COc1ccccc1C#N	751521067	IPNXPEPBNHWASE-ZDUSSCGKSA-N	301.346	1.856	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cnc([C@H]2CCCO2)s1	854923464	WRJPSTRGUJTRFW-SSDOTTSWSA-N	300.409	1.076	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NC[C@@]1(C)C[C@H]1Br	857385095	DHVSNLFGHMPYPE-KBVBSXBZSA-N	306.200	1.865	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCc2c(OC)cccc21	759667860	VVIJLJKJOKQOBQ-LLVKDONJSA-N	306.362	1.513	50	20	DDGD	
Cn1nnc2cc(C(=O)NN=c3cc[nH]c4ccccc34)cnc21	758111400	ZSGOXTVOPJNROF-UHFFFAOYSA-N	319.328	1.090	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)/C=C\c1ccc(C)nc1	854386010	HSQKTWAGUXDCOE-KTKRTIGZSA-N	321.377	1.340	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)CCn1c(C)cc(O)cc1=O	855367703	YVTQBWOGXNLJNZ-UHFFFAOYSA-N	319.336	1.843	50	20	DDGD	
CCn1ccnc1C=NNC(=O)CNc1ccc(OC)cc1	755489363	URHUBPFYYZTPPA-UHFFFAOYSA-N	301.350	1.474	50	20	DDGD	
Cc1cnn(C)c1C=NNC(=O)CCCNC(=O)C(C)(C)C	853408577	UTFSGPVHQHIYDD-UHFFFAOYSA-N	307.398	1.121	50	20	DDGD	
COC(=O)c1cc(NNC(=O)Cc2cnn(C)c2C)ccc1C	857264156	PEQORTICYGQANF-UHFFFAOYSA-N	316.361	1.509	50	20	DDGD	
CCn1nccc1CNC(=O)NNC(=O)c1ccccc1OC	852085764	HOYJFJZRGKIADZ-UHFFFAOYSA-N	317.349	1.056	50	20	DDGD	
CC(C)n1ccc(CC(=O)NNC(=S)N[C@@H](C)C2CC2)n1	855100890	LATOZHMTFIJQGI-JTQLQIEISA-N	309.439	1.300	50	20	DDGD	
Cc1nccc(CNC(=O)NC[C@@]2(C)C[C@H]2Br)n1	856823310	JHMUYCQSJRFOMU-ZYHUDNBSSA-N	313.199	1.758	50	20	DDGD	
NCCCCCC(=O)NNC(=O)Nc1ccc(F)cc1F	857766374	MCGFLRYIYNEQRR-UHFFFAOYSA-N	300.309	1.637	50	20	DDGD	
CCn1nc(C)c(CNC(=O)NNc2cc(F)ccc2C)n1	854186906	AVOCWKOQAYHBEF-UHFFFAOYSA-N	306.345	1.880	50	20	DDGD	
CC[C@H](C)c1nc(C)c(CC(=O)NN(C)C(=S)NC)c(C)n1	854928893	QNLYTEKQYNCUDK-VIFPVBQESA-N	323.466	1.617	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1cccn2c(O)nnc12	758323065	WRGUXSAJXCLSNO-UHFFFAOYSA-N	304.697	1.240	50	20	DDGD	
CCOC(=O)C[C@H]1CCCCC1=NNC(=O)CN1CCCC1=O	754918845	VQFIDNOOSAMRQS-GFCCVEGCSA-N	323.393	1.224	50	20	DDGD	
Cc1c(C(=O)NN[C@@H](C)C(F)(F)F)nnn1-c1ccccc1	862309746	OAZUZTNPIPLVNP-VIFPVBQESA-N	313.283	1.761	50	20	DDGD	
CCCCOc1ccc(C=NNC(=O)[C@H]2CCC(=O)N2)cc1	863146383	QVIRPIIEJNCMIW-CQSZACIVSA-N	303.362	1.594	50	20	DDGD	
COc1ccccc1C[C@@H](C)CC(=O)NNC(=O)c1cn[nH]c1	862472015	RWSZLTLNTSVSCT-LLVKDONJSA-N	316.361	1.448	50	20	DDGD	
Cc1cc(CCC(=O)NNC(=O)CCc2ccccc2)no1	931349438	YJLFCYFJXZWUCK-UHFFFAOYSA-N	301.346	1.696	50	20	DDGD	
Cc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)C1CCCC1	764067117	YIQOHDUXYHCBEA-UHFFFAOYSA-N	314.345	1.143	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCc3ccc(Cl)cc32)cc1	863891854	DZWKLYOGDMALRX-MRXNPFEDSA-N	301.582	1.797	50	20	DDGD	
CC(C)(C)c1cnc(NC(=O)c2ccc(B(O)O)cc2)s1	863874074	OUPGMWDSJVZEAN-UHFFFAOYSA-N	304.180	1.373	50	20	DDGD	
CN(C(=O)COC(=O)[C@H](Br)C(C)(C)C)C1CC1	766746451	GZVLGAMGXADDET-JTQLQIEISA-N	306.200	1.960	50	20	DDGD	
C[C@H](NNC(=O)c1cnn(-c2ccccn2)c1N)C(F)(F)F	862319884	BVKQHQQNPVWPLH-ZETCQYMHSA-N	314.271	1.035	50	20	DDGD	
O=C(COc1ccccc1Cl)NNC(=O)c1cccc(F)n1	763280862	DWVZCEADQUXYBT-UHFFFAOYSA-N	323.711	1.714	50	20	DDGD	
COC(=O)c1cc(NCc2cccc(B(O)O)c2)c(C)cc1C	864011285	UTBBSZOCLQQCGX-UHFFFAOYSA-N	313.162	1.382	50	20	DDGD	
CC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cc(C)cs2)C1	862475570	OXAJBZCGGHMCGQ-LLVKDONJSA-N	309.391	1.076	50	20	DDGD	
C[C@H]1CN(C(=O)OC(C)(C)C)CC1=NNC(=O)c1ncccn1	863121052	YFDMQMYSJWLGHM-JTQLQIEISA-N	319.365	1.449	50	20	DDGD	
Cc1cc(=NNC(=O)c2cccnc2N2CCCCC2)cc[nH]1	862510674	PORQWQPYCMCVSC-UHFFFAOYSA-N	311.389	1.954	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CCCOc1ccc2c(c1)OCO2	764878065	QKAFUWDXNQDGBR-UHFFFAOYSA-N	322.361	1.768	50	20	DDGD	
CN(N=Cc1cc(Br)c2c(c1)OCCO2)C(N)=O	767910103	DSIIRODKHPXUIC-UHFFFAOYSA-N	314.139	1.565	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cnc([C@@H]2CCCO2)s1	760381306	GZQGWAZXEGJJSD-VIFPVBQESA-N	310.379	1.349	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2ccc(N3CCCCC3)cc2)N1	863146102	PBCHHDYINOUYEI-HNNXBMFYSA-N	314.389	1.406	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1	766639439	CDALSUXSNSELKN-IUCAKERBSA-N	315.295	1.948	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NNCC(F)(F)C(F)(F)F	863095134	IMNNEUIYNBNEJW-HTQZYQBOSA-N	303.275	1.678	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1CCC(=NNC(=O)c2ccnnc2)C1	863119851	OOZPUXZLLWPBNK-NSHDSACASA-N	319.365	1.640	50	20	DDGD	
C[C@H](C=NNC(=O)[C@@H]1CCO[C@H]1C)CNC(=O)OC(C)(C)C	1118237343	VFYGJLJUTNRSJA-SDDRHHMPSA-N	313.398	1.674	50	20	DDGD	
COc1cncc(C(=O)NNc2ccc(C(C)(C)C)nn2)n1	1116771389	NNSLOXKDUICORM-UHFFFAOYSA-N	302.338	1.330	50	20	DDGD	
O=C(CSc1nncs1)NNc1nc2ccccc2[nH]1	768513625	WCLWZOXNARRVRR-UHFFFAOYSA-N	306.376	1.650	50	20	DDGD	
O=C(O)c1cccc2c1C(=NNC(=O)[C@@H]1C[C@H]3CC[C@H]1O3)CC2	872386575	RLTLLPFDZFAYQB-MPKXVKKWSA-N	314.341	1.719	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2CC[C@H]2C(N)=O)c(C)c1	873761244	VRNGPZXHHAKSKL-MNOVXSKESA-N	320.418	1.133	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)Cc1ncc[nH]1	873853251	BLWLQWMVPZJEPO-UHFFFAOYSA-N	317.418	1.841	50	20	DDGD	
CC(C)Oc1cc(NC(=O)NNC(=O)c2cnn(C)c2)ccn1	779930611	VHXUSJOGHSITIP-UHFFFAOYSA-N	318.337	1.069	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CCc1ccccc1C	772086164	BBDSEYMHNCYSFI-LBPRGKRZSA-N	306.362	1.417	50	20	DDGD	
C[C@H](CNC(=O)NNc1c(F)cccc1Cl)S(C)(=O)=O	771342524	GUHUBJQPVGUPBV-SSDOTTSWSA-N	323.777	1.538	50	20	DDGD	
O=C(CNC(=O)C1CC1)NNc1ncc(Cl)cc1Cl	775269251	BSDIKUOQMSHCJB-UHFFFAOYSA-N	303.149	1.358	50	20	DDGD	
CC(C)=C(C)C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1	772890082	VSMDWPUNWVPXFR-UHFFFAOYSA-N	323.780	1.460	50	20	DDGD	
O=C(NNc1ccc(F)cn1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O	874651546	PTWADZQLHOGEIL-SFYZADRCSA-N	320.246	1.121	50	20	DDGD	
O=C(Cc1ccnc(O)c1Br)NNc1ncccn1	770823068	GFUSTYAKIUPGNQ-UHFFFAOYSA-N	324.138	1.026	50	20	DDGD	
COCCN(C)NC(=O)Nc1cn(C)nc1-c1ccccc1	879103821	FRYSYQXGSQJUCI-UHFFFAOYSA-N	303.366	1.702	50	20	DDGD	
O=C(CC1CCN(CC(F)(F)F)CC1)NNC(=O)C1CC1	873751401	RPLUQQSHXHOATI-UHFFFAOYSA-N	307.316	1.208	50	20	DDGD	
COC(=O)[C@H](C)Cc1ccc(NC(=O)NN(C)C(=O)OC)cc1	879194684	HQWKQONJLMFULC-SNVBAGLBSA-N	323.349	1.773	50	20	DDGD	
CCN(CC)[C@H](CNC(=O)NN(C)C(=O)OC)c1ccco1	875172289	YHNCWQQJLYKRRL-LLVKDONJSA-N	312.370	1.575	50	20	DDGD	
CCCn1c(C=NNC(=O)C[N+](C)(C)C)nc2ccccc21	1115863295	WHUSSLBCHTUTPL-UHFFFAOYSA-O	302.402	1.603	50	20	DDGD	
O=C(CCc1cccc2c1OCO2)NNc1ncc(F)cn1	771435553	CLEBEHKRCJNWEK-UHFFFAOYSA-N	304.281	1.420	50	20	DDGD	
C[C@@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)C1CCCC1	770971157	IFTISSCSKVGLEC-MRVPVSSYSA-N	304.354	1.338	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C\c1ccc(Cl)cc1	771890617	KUQORXHAECHYJJ-ABRRARGCSA-N	324.764	1.842	50	20	DDGD	
C[C@H]1COCC1=NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	884432182	VMAPCZRGSXDNNV-VIFPVBQESA-N	311.363	1.234	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc(-n2cccc2)cc1	883059734	JUFOXLOKFBAJPG-UHFFFAOYSA-N	313.357	1.665	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C#Cc1ccccc1	771922429	PUZZXTQRTHBEKM-ZDUSSCGKSA-N	316.357	1.163	50	20	DDGD	
C=Cn1cc(C=NNC(=O)[C@@H](C)CN2C[C@H](C)O[C@H](C)C2)cn1	773027261	YLMUQCHOTZZSDM-MELADBBJSA-N	319.409	1.179	50	20	DDGD	
CCS[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1cccnn1	883499397	NGEUUTQFFIUDLR-ZYHUDNBSSA-N	323.422	1.485	50	20	DDGD	
O=S(=O)(CCCCl)NCCOc1cncc(Cl)c1	882269078	HZNIFFXSDWUAKT-UHFFFAOYSA-N	313.206	1.662	50	20	DDGD	
O=C(NNc1c(F)cccc1Cl)[C@H]1CC(=O)N(C2CC2)C1	770198148	JZPUNZYNRKYLFO-QMMMGPOBSA-N	311.744	1.933	50	20	DDGD	
CC(C)C(C)(C)C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1	784765355	QLJNALFFJQJMSC-BETUJISGSA-N	313.442	1.315	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccccc1OC1CCC1	883063782	BZVMQWVDCYXDSK-UHFFFAOYSA-N	318.373	1.806	50	20	DDGD	
N#Cc1ccc(N2CCC[C@H]2C(=O)NN=c2cc[nH]cc2)cc1	780761422	SPZQJDBAVCQQFV-INIZCTEOSA-N	307.357	1.487	50	20	DDGD	
Cn1cc(-c2ccc(F)c(C(=O)NNC(=O)C3CC3)c2)cn1	782538205	PXPVSYVBTODTIL-UHFFFAOYSA-N	302.309	1.397	50	20	DDGD	
COc1cc(CC(=O)NNC(=O)C2CCCC2)cc(OC)c1O	789894766	JYCBMXZJTRBTJA-UHFFFAOYSA-N	322.361	1.290	50	20	DDGD	
COC(=O)[C@H](NS(=O)(=O)CCCCl)c1cccs1	881879670	RUZPQJMSNYDWOF-SECBINFHSA-N	311.812	1.511	50	20	DDGD	
C[C@H]1COc2ccccc2CN1CC(=O)NNC(=O)C(C)(C)C	782520931	UBHOGOQAECBDPD-LBPRGKRZSA-N	319.405	1.463	50	20	DDGD	
COc1ccc(F)cc1CCNC(=O)NNC(=O)C(C)(C)C	884138457	PBEYQHCZJNDVHN-UHFFFAOYSA-N	311.357	1.753	50	20	DDGD	
CCOC(=O)[C@@H](Cc1ccccc1)NNC(=O)C1CCCC1	783569033	HPCPTNVSVCRPNC-OAHLLOKOSA-N	304.390	1.972	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cnn2ccccc12	780730631	LDFUPBDHTOOVCL-UHFFFAOYSA-N	310.313	1.878	50	20	DDGD	
C[C@H](CC(=O)NNc1ccnc(F)c1)NC(=O)OC(C)(C)C	781367677	GBCHWCIKNOZOOI-SECBINFHSA-N	312.345	1.967	50	20	DDGD	
Cc1nn(C)c2ncc(C(=O)NNc3ncncc3Cl)cc12	781820489	XRGUIKUTVRDJBK-UHFFFAOYSA-N	317.740	1.477	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cn(C)nc2C(F)F)c1	780796424	YGJXUAHPVFYQQD-UHFFFAOYSA-N	324.287	1.901	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@H]1CC(=O)c2ccccc21	789647000	CIRFEDGUYSQEJG-AWEZNQCLSA-N	309.325	1.142	50	20	DDGD	
Cn1ccc(CC(=O)NNC(=O)Cc2ccc(Cl)cc2)n1	782552767	JSYJBBHATSESMZ-UHFFFAOYSA-N	306.753	1.006	50	20	DDGD	
CN(CC(=O)NNC(=O)CCc1ccccc1O)CC(C)(C)C	896206094	YIHRBTNMXGYPOP-UHFFFAOYSA-N	321.421	1.450	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc(C#N)c(O)c1	785416099	VNSOIVUFWWFBMQ-UHFFFAOYSA-N	311.297	1.347	50	20	DDGD	
C#CCCCCCC(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1	780324606	RMGXGKJWYXNPHM-HUUCEWRRSA-N	323.437	1.217	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42	793422747	CRIRWQZFCUYFAC-KDZPWCFYSA-N	323.396	1.166	50	20	DDGD	
COc1nc(N(C)C)sc1C=NNC(=O)c1cccc(C)n1	794572689	ZFWLPRYEGYHRSY-UHFFFAOYSA-N	319.390	1.685	50	20	DDGD	
Cc1c[nH]nc1C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	799406991	JISOPCTVKZOLJR-QMMMGPOBSA-N	318.402	1.979	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@](C)(O)CCc1ccccc1	899997339	POTLMAXIQLYIIR-INIZCTEOSA-N	323.462	1.664	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2cn(C(C)(C)C)nn2)cc1	790144177	JITVIKLFZNPOPT-UHFFFAOYSA-N	314.393	1.904	50	20	DDGD	
C=C(CBr)CN1CCN(CCOC(C)C)CC1	791466864	KDKOHKCMXBONJY-UHFFFAOYSA-N	305.260	1.980	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCc3ncsc3C2)n1	793227634	FOPCFZRJVLLEGB-UHFFFAOYSA-N	317.374	1.259	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(-c2cccnc2)ccc1C	797654666	UYNNZPKSGVQBNM-UHFFFAOYSA-N	314.345	1.856	50	20	DDGD	
CC[C@@H]1CC[C@@H](C)CC1=NNC(=O)Cc1cc(O)nc(O)n1	797401797	PGBUCOVYWMXISY-NXEZZACHSA-N	306.366	1.749	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCOCC(F)F)c1	790867180	OKTYFFWRFXHZCY-UHFFFAOYSA-N	302.277	1.588	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1cc(F)cc(F)c1O	790182496	WIIYVCRPEWZFGM-UHFFFAOYSA-N	312.320	1.351	50	20	DDGD	
CC(C)[C@H]1CCCC(=NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1	794499571	ZHFXZESOXRWFCB-AAEUAGOBSA-N	315.439	1.675	50	20	DDGD	
C[S@](=O)c1ccc(CC(=O)NNc2ccc(Cl)nn2)cc1	798110222	FXBSHZFBJSZBTN-NRFANRHFSA-N	324.793	1.553	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1nccc2ccccc12	798316416	YJNVRESOJVOJIW-UHFFFAOYSA-N	312.251	1.741	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccc(C)c1NC(C)=O	798304307	HPSRMFRJZXYWHK-UHFFFAOYSA-N	306.391	1.248	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)o1	795150173	ADWWGMUMIYIWEG-UHFFFAOYSA-N	323.374	1.595	50	20	DDGD	
CCN(CC)CCCNC(=O)NNc1nncc(N)c1Cl	1324883857	RNHGUOGMWRVHBP-UHFFFAOYSA-N	315.809	1.070	50	20	DDGD	
CCNC(=O)COc1ccc(CNC(=O)CCl)cc1OC	1324702351	WOKHYTQKBYVCEU-UHFFFAOYSA-N	314.769	1.065	50	20	DDGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNc2nncc(N)c2Cl)C1	1321075531	YVIQOJHIURRDNZ-RKDXNWHRSA-N	313.789	1.751	50	20	DDGD	
O=C(CCCNC(=O)NC1CCCCC1)NNc1ccncn1	1324545088	SNCYRBKIIVUDAJ-UHFFFAOYSA-N	320.397	1.332	50	20	DDGD	
N[C@H](C(=O)NNc1nc(-c2cccnc2)no1)C1CCCCC1	1327195786	IZRIAQKLKMCDEC-LBPRGKRZSA-N	316.365	1.482	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccc(OC)n2)cc1	1252692658	YCRAGMNJYZAZJN-UHFFFAOYSA-N	301.302	1.174	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)c1ccc(OC)cc1	1329192357	GFISYRKESJWNLR-CYBMUJFWSA-N	317.349	1.514	50	20	DDGD	
CC(=NNC(=O)CCN1CCC(C)CC1)c1cc(C)n(C)n1	1339904179	YBEGXJHWLJLXJI-UHFFFAOYSA-N	305.426	1.691	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1ccc(C#N)cn1)C(F)(F)F	1333502139	IVHKKCAYNPRNLA-QMMMGPOBSA-N	303.244	1.157	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H](O)CN(C[C@@H](CBr)C2CC2)C1	1331396249	MKRPENRANWQFOV-IJLUTSLNSA-N	320.227	1.263	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)NC2CCCCC2)C[C@H]1Br	1334674159	UJXSSGJSBGOXKI-ZWNOBZJWSA-N	317.227	1.725	50	20	DDGD	
CSSCCNC(=O)N1C[C@@H](C(=O)O)[C@H](C2CC2)C1	1346441882	UEUFJVNDFMYNHC-VHSXEESVSA-N	304.437	1.750	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)[C@@H]1CCN(C2CC2)C1=O	1261802269	FYJGCWGDHBYQOQ-CQSZACIVSA-N	303.362	1.523	50	20	DDGD	
CO[C@@](C)(CNC(=O)NNc1ccc(CC(=O)O)cc1)C1CC1	1606658576	QXKXOPSVGHLOCF-INIZCTEOSA-N	321.377	1.755	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(C(=O)O)c(F)c1)c1cnn(C)c1	1609768419	NRDJXVPYLVPCAM-MRVPVSSYSA-N	321.312	1.645	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)Cn1ccc(C(=O)O)n1	1600221307	OWWSSJBDVXLROS-UHFFFAOYSA-N	308.725	1.686	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2c(F)cncc2F)c(F)c1	1602383355	GQTQPQSMYBVRLY-UHFFFAOYSA-N	311.219	1.954	50	20	DDGD	
Cn1ccc(CNC(=O)NNc2ccc(C(=O)O)cc2F)n1	1608124837	OPIDOKOPLRUXBL-UHFFFAOYSA-N	307.285	1.084	50	20	DDGD	
O=C(O)C(=O)NN=Cc1ccc(Br)cc1Cl	1608530706	AQTGNZYTWOPCOK-UHFFFAOYSA-N	305.515	1.637	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC2(C(=O)O)CCCCCC2)cn1	1600945418	GDYYGQJDWNBYGZ-JYRVWZFOSA-N	316.361	1.621	50	20	DDGD	
O=C(COC[C@@H]1CCCO1)NNc1ccc(C(=O)O)c(F)c1	1601338278	LAYYSYAXQQKHCA-JTQLQIEISA-N	312.297	1.163	50	20	DDGD	
CCc1cccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)n1	1604529057	QOZNWIADNSVWFV-UHFFFAOYSA-N	309.333	1.581	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1cccc(F)c1	1549314679	JSTYQDIHXCUGGW-HUUCEWRRSA-N	305.353	1.529	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1cccc(O)c1F	1549905457	RNGUBYNWVNSBSM-FZMZJTMJSA-N	321.352	1.235	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)C2(C(=O)O)CC2)cc1	1610514273	DRLKZIODXIOMOY-UHFFFAOYSA-N	308.359	1.099	50	20	DDGD	
Cn1cc(C(=O)NN=C[C@@H]2CCCO[C@@H]2c2nccn2C)cn1	1552448330	AZKZJYBGOKUBNM-AAEUAGOBSA-N	316.365	1.037	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@@H]2C[C@]23CCCNC3)o1	1575866771	BTCMCSSMFATIHR-BONVTDFDSA-N	303.366	1.502	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(CCN2CCNCC2)C1	1575262888	NGNWQNHYYYTNIO-OAHLLOKOSA-N	313.562	1.988	50	20	DDGD	
C#CCCCC(=O)NN=Cc1c(C)cc(-c2nn[nH]n2)cc1C	1588341096	WAGUJYVIQNSWJZ-UHFFFAOYSA-N	310.361	1.737	50	20	DDGD	
C/C(=C/CNC(=O)NNC(=O)C(C)(C)c1ccccc1)C(=O)O	1588975426	YURLXQBLWPEDSY-LUAWRHEFSA-N	319.361	1.326	50	20	DDGD	
CC(C)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Br)C1	1845216738	HVQOUOATZXEDCP-VIFPVBQESA-N	321.190	1.536	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1cnc(C)cn1	1599376947	WWFJGWVSTSJLJY-UHFFFAOYSA-N	302.290	1.249	50	20	DDGD	
C[C@@]1(C(=O)NCCSCCC(=O)O)C[C@@H]1Br	1593753459	ACOWGSCONLXDTI-OIBJUYFYSA-N	310.213	1.484	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NCC(C)(C)C(=O)O)cc1	1599593981	IWVOSSUKXHCUHJ-UHFFFAOYSA-N	324.337	1.142	50	20	DDGD	
COC[C@@]1(C(=O)O)CCN(C[C@@H](CBr)C2CC2)C1	1593966202	CRUICEDPTKVYID-DGCLKSJQSA-N	320.227	1.831	50	20	DDGD	
Cc1cccc(CNC(=O)/C(C#N)=C/c2cc(C(=O)O)nn2C)c1	1594403512	OQHDNNRDOUFSGI-NTUHNPAUSA-N	324.340	1.650	50	20	DDGD	
CCCC[C@H](CC)C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1590578017	LGXZAIGAZBIZTM-JTQLQIEISA-N	303.370	1.921	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNC(=O)c2ccccc2F)c1	1594288308	JNVWZEIWGXEBKD-UHFFFAOYSA-N	316.288	1.907	50	20	DDGD	
COc1ccc([C@@H](CC(=O)O)NC=C(C#N)C#N)c(OC)c1	1599514814	LMUUVUTUAMGZDY-CYBMUJFWSA-N	301.302	1.740	50	20	DDGD	
CN(C)C(=O)NN=Cc1c(C(=O)O)n(C)c2ccc(F)cc12	1776039954	ZXBLCEHIYVBFFP-UHFFFAOYSA-N	306.297	1.621	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccccn2)cnn1-c1ccccc1	12457745	VUEWYEGCBCKKSH-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
COc1ccc(NNC(=O)/C=C/c2cnn(C)c2)c([N+](=O)[O-])c1	160826460	WVXBDUHOYHDQKV-ZZXKWVIFSA-N	317.305	1.493	50	20	DDGD	
CC(=O)NC1(C(=O)NNc2cccc([N+](=O)[O-])c2)CCCCC1	151649311	AKASPQYTNJOCHO-UHFFFAOYSA-N	320.349	1.877	50	20	DDGD	
C[C@@H](C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)c1cccs1	151407364	WQOFCZWTMNZYCK-GHMZBOCLSA-N	316.448	1.344	50	20	DDGD	
CC(C)(C(=O)NNc1ncnc2nc[nH]c12)c1cccc(F)c1	152713146	FCXQULNXXDFGPN-UHFFFAOYSA-N	314.324	1.913	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cccc(C#N)c2)ccc1F	152411147	AGYSGTCKOVAQIC-UHFFFAOYSA-N	313.288	1.781	50	20	DDGD	
O=C(CN1C(=O)c2ccccc2C1=O)NNc1ccccc1F	152780537	LAXLWCLSWIYTKF-UHFFFAOYSA-N	313.288	1.565	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCCCC2)c1ccnnc1	153773379	YYXLKXDVEGGJAH-UHFFFAOYSA-N	316.386	1.882	50	20	DDGD	
COC(=O)NCCC(=O)NNc1cccc(C(F)(F)F)n1	155895643	LJHADWPUSMMSDZ-UHFFFAOYSA-N	306.244	1.290	50	20	DDGD	
O=C(O)[C@@H](NS(=O)(=O)CBr)C1CCCCC1	309646657	WHCDJMCNEZMEQQ-QMMMGPOBSA-N	314.201	1.292	50	20	DDGD	
Cc1nn(C)cc1C(=O)NNC(=O)c1cc2ccccc2cc1O	172156076	TYXLNVYIRIGQQU-UHFFFAOYSA-N	324.340	1.662	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H](c2cccs2)N(C)C)nn1	106327053	UBGWTIAWJMNGNE-LLVKDONJSA-N	320.422	1.776	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCc1cccc([N+](=O)[O-])c1	119151742	OARFPOWFXGJNEJ-UHFFFAOYSA-N	308.338	1.514	50	20	DDGD	
O=C(NCCn1cccn1)NNC(=O)c1cccc(Cl)c1	172035659	YPUGPZWDCWZUFA-UHFFFAOYSA-N	307.741	1.181	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1ccccc1	62650920	DLFQFPZRMQJBPE-UHFFFAOYSA-N	322.365	1.155	50	20	DDGD	
CN(C)C(=O)c1cccc(C(=O)NNC(=O)CC2CCCC2)c1	171481033	BSXNVQCHQNYERS-UHFFFAOYSA-N	317.389	1.730	50	20	DDGD	
CN1CCc2cc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)ccc21	178887743	SAPJXCVOTHBJMI-KMPOOHAWSA-N	311.385	1.881	50	20	DDGD	
O=C(C[C@H]1OCCc2ccccc21)NNc1ncnc2nc[nH]c12	173954163	HZUULNFBSJVBIM-GFCCVEGCSA-N	324.344	1.500	50	20	DDGD	
O=C(CSc1ccc([N+](=O)[O-])cc1)NNc1cccnn1	172371787	GFCNPXFPOQNJAH-UHFFFAOYSA-N	305.319	1.620	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cc2ccc(F)cc2)nc1	179778242	DEVSWUCDELFAFJ-UHFFFAOYSA-N	303.293	1.693	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(O)c(Cl)c2)n1	175389239	BFEYMNZPDKIRCL-UHFFFAOYSA-N	308.725	1.910	50	20	DDGD	
O=C(Cc1coc(-c2ccccc2)n1)NNC(=O)NCC1CC1	65192834	DTMWAMFCPVVTTE-UHFFFAOYSA-N	314.345	1.625	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@H]1C[C@]12CCc1ccccc12	175030849	XGGADHVZEQXFNE-KDOFPFPSSA-N	309.369	1.690	50	20	DDGD	
Cc1ccccc1NNC(=O)Cn1c(=O)n(C)c2ccccc21	121843654	DJVLZXGJTHEFSU-UHFFFAOYSA-N	310.357	1.792	50	20	DDGD	
COc1cccc(CO[C@@H](C)C(=O)NNc2cccnn2)c1	77028665	LUZFBFSRTFDRLH-NSHDSACASA-N	302.334	1.534	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1nc(-c2ccccc2)no1	76461710	JEBBHNCVVFLUGZ-NSHDSACASA-N	320.349	1.621	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cnn([C@@H](C)C3CC3)c2)n1	189828977	CEDNBWZYWUJMHT-VIFPVBQESA-N	317.353	1.801	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)N[C@H]1CCSC1	75466981	CZFAMZYGUJHQPZ-VIFPVBQESA-N	304.375	1.617	50	20	DDGD	
CC(C)C[C@@H](CCO)CNC(=O)NNC(=O)c1ccccc1	120914987	JNAWNNXLWWDEET-CYBMUJFWSA-N	307.394	1.675	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NNc1cc(F)c(F)c(F)c1	128625694	MKNKQGBFDNNQHN-SECBINFHSA-N	304.272	1.384	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc(F)c(C)c2)nn1	123839892	XEPVIMRUYKSFFU-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)Nc1cccnc1	73117628	WDSRLSUPKYJMLG-UHFFFAOYSA-N	314.345	1.876	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNC(=O)c1cc2ccccc2o1	188908050	VSOFCUBGKMKALT-UHFFFAOYSA-N	304.302	1.536	50	20	DDGD	
CC1(C(=O)NNC(=O)CNC(=O)c2ccco2)CCCCCC1	180647876	KVEJQBOONNRPBS-UHFFFAOYSA-N	321.377	1.517	50	20	DDGD	
O=C(NNS(=O)(=O)c1cccc(F)c1)NC1CCCC1	49419602	KXQGPSVYVAZEIO-UHFFFAOYSA-N	301.343	1.261	50	20	DDGD	
C[C@@H]1C[C@@H](C)CN(CCCCNC(=O)NNc2ncccn2)C1	46761491	JFWXXEWBOBYBRH-ZIAGYGMSSA-N	320.441	1.861	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NCCC1CC1	80517040	LVODKATYRDAWEL-SNVBAGLBSA-N	309.341	1.724	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)C1=Cc2ccccc2OC1	190238912	WHEAQCFDYJNYDZ-UHFFFAOYSA-N	310.375	1.417	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O	198869008	RBMQVKBVFQMSRE-SNVBAGLBSA-N	302.334	1.385	50	20	DDGD	
COCCCNC(=O)NNC(=O)C[C@H](C)c1c(C)noc1C	133138702	AXWGNOXQLQZICK-VIFPVBQESA-N	312.370	1.152	50	20	DDGD	
COC(=O)CCCC(=O)NNc1ccc(C(F)(F)F)nn1	131542458	XQMSWOQLAKMRQN-UHFFFAOYSA-N	306.244	1.282	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2nc(C3CC3)cs2)n1	149656981	JWLPSVKJQBWQSM-UHFFFAOYSA-N	306.351	1.968	50	20	DDGD	
O=C(NN=Cc1cccc(O)c1)c1ccc(-n2cnnn2)cc1	254827195	KIHTZGRDKMMALG-UHFFFAOYSA-N	308.301	1.132	50	20	DDGD	
O=C(/C=C\c1cccnc1)NNC(=O)c1cccc([N+](=O)[O-])c1	255547738	PYXWNDYMOCQWKX-SREVYHEPSA-N	312.285	1.464	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)C2CCC2)cc1Cl	264811412	WGUWRPVSBYUEGX-UHFFFAOYSA-N	318.782	1.458	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCCSC2)cc1	267294847	JIIYLOPMLGXXOE-GFCCVEGCSA-N	304.375	1.398	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCCCOc1cccc(C#N)c1	271356119	MHHWXBNWPCUPJM-UHFFFAOYSA-N	318.377	1.800	50	20	DDGD	
CCC(CC)[C@H](O)CNC(=O)NNC(=O)c1cccc(C)n1	279739299	XBVXCFACTITPHE-CYBMUJFWSA-N	308.382	1.131	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	270527390	TVPXSOHAZKYKEN-LURJTMIESA-N	316.701	1.436	50	20	DDGD	
CCOc1cc(C)ccc1NC(=O)C(=O)NNC(=O)CC1CC1	274070008	NVVOMTLULJALHU-UHFFFAOYSA-N	319.361	1.280	50	20	DDGD	
C[C@H]1C(=O)CC[C@H](C(=O)NNC(=O)c2ccccn2)C1(C)C	275552443	VEFIXTADIBEONO-WDEREUQCSA-N	303.362	1.484	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNC(=O)CNc1ccc(C)cc1	270788023	UMXBYJWLTKHEHQ-UHFFFAOYSA-N	321.377	1.144	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccc(N2CCCC2=O)c(F)c1	274155171	TUPJGYMNEJZXHQ-UHFFFAOYSA-N	320.324	1.515	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1cc(C#N)ccc1C	272644322	ZEKAZYIFQGTNQQ-LLVKDONJSA-N	320.349	1.071	50	20	DDGD	
CO[C@H]1CCCN(C(=O)NNC(=O)C(C)(C)c2ccccc2)C1	271256074	LMWQDXWUDICSDU-AWEZNQCLSA-N	319.405	1.816	50	20	DDGD	
COc1ccc(Cl)cc1S(=O)(=O)NNC(=O)CC(C)C	278547142	NSHQLXOHOZVTPK-UHFFFAOYSA-N	320.798	1.704	50	20	DDGD	
COc1ccc(CCCC(=O)NNC(=O)NC(C)C)c(OC)c1	270060165	WUDZRAHFAKWNFY-UHFFFAOYSA-N	323.393	1.765	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H](C(=O)NNc2nc3ccccn3n2)C1(C)C	276836630	LQSIWKIKMZNNPN-QWRGUYRKSA-N	315.377	1.814	50	20	DDGD	
C[C@H](C(=O)NNC(=O)NC1CC1)c1cn(C)c2ccccc12	274605856	GJSBCGOTIXXBJE-JTQLQIEISA-N	300.362	1.775	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2	277007117	AHTJVULXWSQUIK-QMMMGPOBSA-N	321.337	1.104	50	20	DDGD	
CCn1nc(C)c(NC(=O)C(=O)NN(C)c2ccccc2)c1C	275673475	JSXODURKLUTSEK-UHFFFAOYSA-N	315.377	1.626	50	20	DDGD	
CC1(C)CCC[C@H]1C(=O)NNC(=O)CNC(=O)c1cccs1	274863279	KGNPILOYLAHMKJ-JTQLQIEISA-N	323.418	1.452	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NNC(=O)c1ccccc1O	281660058	XUBSBMLEQNJVOF-SMDDNHRTSA-N	319.361	1.317	50	20	DDGD	
COC1(C(=O)NNc2nccnc2C2CCC2)CCOCC1	286875031	DRRCTJVPKZEJRT-UHFFFAOYSA-N	306.366	1.383	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCCS(=O)(=O)CC	282440433	ZJLVFFNYGJDOSM-UHFFFAOYSA-N	313.423	1.618	50	20	DDGD	
COc1cncc(C(=O)NNc2nccnc2C2CCC2)n1	287246082	QLUUJEQLRPRFPU-UHFFFAOYSA-N	300.322	1.300	50	20	DDGD	
Cc1cc(OCC(=O)NNC(=O)NC(C)C)ccc1[N+](=O)[O-]	280808915	MYSMPZBOCPMWOG-UHFFFAOYSA-N	310.310	1.021	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@H]1Cc2ccccc2C(=O)O1	280417065	YTENRVIREBUJIH-LLVKDONJSA-N	306.318	1.324	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)COc2cc(C)cc(C)c2)CC1	283076418	UCXCTZIGNPJYAG-UHFFFAOYSA-N	320.389	1.646	50	20	DDGD	
CC(=O)c1cccc(C(=O)NNC(=O)NCC(F)(F)F)c1	281083586	GFYPXUSJXQRCQB-UHFFFAOYSA-N	303.240	1.396	50	20	DDGD	
C[C@H]1CC(CCNC(=O)NNC(=O)c2ccc[nH]2)C[C@H](C)O1	802511226	VEDJWURQQANIAG-QWRGUYRKSA-N	308.382	1.552	50	20	DDGD	
O=C(NNC(=O)c1cn(-c2ccccc2)nn1)NC1CCCC1	299326514	IIPJHFDGVMDVOQ-UHFFFAOYSA-N	314.349	1.154	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)co1	802122914	FOINSLDZVMNVGJ-UHFFFAOYSA-N	303.322	1.516	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccncc1C(F)(F)F	800695160	PPFXZKGJXQYOSW-UHFFFAOYSA-N	322.250	1.900	50	20	DDGD	
COc1cc(NNC(=O)N[C@@H](C)CN(C)C)ccc1Cl	807577402	QEZKRSLGVXIDEX-VIFPVBQESA-N	300.790	1.925	50	20	DDGD	
Nc1nc(C2CC2)ncc1C(=O)NNc1ccccc1[N+](=O)[O-]	806372782	NKEOPZYZGSNDIH-UHFFFAOYSA-N	314.305	1.601	50	20	DDGD	
COc1cccc2c(C(=O)NN=c3cc[nH]cc3Cl)n[nH]c12	809715947	OTHTUSIYTOWPBL-UHFFFAOYSA-N	317.736	1.799	50	20	DDGD	
CC/C=C/CNC(=O)NNC(=O)COc1cc(C)cc(C)c1	298153245	PJTVUQWBXGYUOG-AATRIKPKSA-N	305.378	1.979	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C(C1CCC1)C1CCC1	803788296	QTYOVQNZCKWULI-JTQLQIEISA-N	310.394	1.692	50	20	DDGD	
O=C(CCOC[C@@H]1CCCO1)NNC(=O)Nc1ccccc1	801989291	NNASADPRGVKYLM-ZDUSSCGKSA-N	307.350	1.425	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)[C@@H]1CCCCO1	295613427	QXSKHCQNUYAHBS-MJBXVCDLSA-N	306.337	1.646	50	20	DDGD	
CSc1ccccc1C(=O)NNC(=O)N=c1cc[nH]cc1	802027413	GPRPPPXWVSZLJV-UHFFFAOYSA-N	302.359	1.692	50	20	DDGD	
Cc1n[nH]c(C)c1CCC(=O)NNC(=O)NCc1ccco1	299240124	QXXIOHRNANBPRD-UHFFFAOYSA-N	305.338	1.083	50	20	DDGD	
C[C@@H](Oc1cccnc1)C(=O)NNC(=O)Nc1ccccc1	801986756	GPDRUDVTPMUDDZ-LLVKDONJSA-N	300.318	1.702	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1cccc(NC(C)=O)c1	293806519	BTZFYKIDPMTZFJ-NSHDSACASA-N	309.366	1.530	50	20	DDGD	
CC(C)(Oc1ccc(C#N)cc1)C(=O)NNC(=O)CC1CC1	294152050	MJWIVROYXJJDRA-UHFFFAOYSA-N	301.346	1.663	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F	819163236	HSPFAHJONOVIEY-QLEHZGMVSA-N	307.316	1.951	50	20	DDGD	
Cc1cccc2c(C(=O)NNC(=O)N3CCOCC3)coc12	819193495	HBLBFPPCHYVESS-UHFFFAOYSA-N	303.318	1.428	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCC2CC(F)(F)C2)cc1	813769950	IUKFNWPACPORTJ-UHFFFAOYSA-N	308.288	1.548	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@H]2CCCCO2)nn1C(C)C	817357872	HVCZUGXNLASCAJ-LLVKDONJSA-N	309.370	1.494	50	20	DDGD	
O=C(NN=Cc1ncc(Cl)s1)C(=O)Nc1ccccn1	814869288	HSUTWWQMVQUFNK-UHFFFAOYSA-N	309.738	1.280	50	20	DDGD	
NC(=O)c1ccc(OCCC(=O)NCC(Cl)Cl)cc1	819795034	RCAYCVCZHISKNU-UHFFFAOYSA-N	305.161	1.474	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CC(C(=O)O)C2)cc1C	814768749	KXVHEIFWEIZFSV-UHFFFAOYSA-N	303.318	1.209	50	20	DDGD	
CCn1ncn(NC(=O)CCCC[C@H]2CCSS2)c1=O	816734803	FDWMTWBSNCAMNU-JTQLQIEISA-N	316.452	1.849	50	20	DDGD	
CN(C)c1cccnc1CNC(=O)NNC(=O)C1CCCC1	811909528	DPTLEVVCSJSQPM-UHFFFAOYSA-N	305.382	1.168	50	20	DDGD	
CC(=NNC(=O)CC1CC1)c1ccc(OCC(=O)N(C)C)cc1	814990318	LRSQBPPTLBOPFL-UHFFFAOYSA-N	317.389	1.794	50	20	DDGD	
Cc1ncc2n1CC[C@H](C(=O)NN=c1cc[nH]c3ccccc13)C2	810361156	JVTKKEFPXCHTFN-ZDUSSCGKSA-N	321.384	1.867	50	20	DDGD	
CO[C@@H]1CCC[C@H](C(=O)NNC(=S)NCCSC)C1	814413899	VPYDVUIONIVZRK-VHSXEESVSA-N	305.469	1.050	50	20	DDGD	
CO[C@](C)(C=NNC(=O)c1cc([N+](=O)[O-])ccc1O)C1CC1	814857909	BSIIBMPDGCUVIQ-CQSZACIVSA-N	307.306	1.831	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2)c[nH]1	815850097	YERAPGWGDVMQJD-UHFFFAOYSA-N	304.262	1.466	50	20	DDGD	
CCC(CC)N1C[C@@H](C(=O)NNC(=O)NC2CCCC2)CC1=O	729348216	QBTNSXOIEKZWKW-NSHDSACASA-N	324.425	1.297	50	20	DDGD	
COCCCNC(=O)NN=C1CC(C(=O)O)(c2ccccc2)C1	814819609	NKUUFQPXYOJXJV-UHFFFAOYSA-N	319.361	1.495	50	20	DDGD	
O=C(O)COc1ccc(C=NNC(=O)N=c2cc[nH]cc2)cc1	815001697	VKUTVVHPWYKVPH-UHFFFAOYSA-N	314.301	1.123	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@]2(CCCN2)C1	818612855	VYPYMWSCORYWSB-OAHLLOKOSA-N	310.829	1.707	50	20	DDGD	
Cc1cc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)ccc1O	826259920	MPFRYGWTPBIDNK-UHFFFAOYSA-N	310.317	1.638	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NNC(=O)CSc1ccccc1O	490783256	OONYFIOQWGUPQT-CSKARUKUSA-N	321.358	1.076	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cccc([N+](=O)[O-])c1	727268612	AUDACHONJLWXCI-UHFFFAOYSA-N	308.363	1.504	50	20	DDGD	
CCN1CCC(CNC(=O)NNC(=O)CC(F)(F)F)CC1	726280646	XSVUXZOICWEFBQ-UHFFFAOYSA-N	310.320	1.001	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)/C=C/c2ccc3[nH]ccc3c2)n[nH]1	492260451	MGGHAFAPQWNDCE-HWKANZROSA-N	309.329	1.674	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]32)o1	829831643	QEYKNNPSWPNFNA-UTUOFQBUSA-N	319.361	1.044	50	20	DDGD	
Cc1ccnc2[nH]c(SCC(=O)NNC(=O)C(C)(C)C)nc12	829524249	FVOCHAFAFFLSEU-UHFFFAOYSA-N	321.406	1.552	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)c1ccccc1O)C1CCCC1	823299880	HOSQSIZMUXCMMW-AWEZNQCLSA-N	321.377	1.541	50	20	DDGD	
C[C@@H]1CN(CCNC(=O)/C(C#N)=C\c2ccc(O)cc2)CCO1	490972825	KVMRXAMANDCWLI-NWFCWYBLSA-N	315.373	1.136	50	20	DDGD	
CCCCNC(=O)c1ccc(CNS(=O)(=O)CCl)cc1	829985316	JZYXUEJTSZVVSX-UHFFFAOYSA-N	318.826	1.832	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)C2CCC2)cc1OC	492275476	UCCRFBHQSJMOFY-VQHVLOKHSA-N	304.346	1.665	50	20	DDGD	
CN(NC(=O)c1ccc2c(c1)OCCO2)C(=O)OC(C)(C)C	496481431	QCWRCFPASPIAKT-UHFFFAOYSA-N	308.334	1.970	50	20	DDGD	
CC(C)(C)OCCCNC(=O)NNc1nc2ccccn2n1	822011742	TZRUVCKXSHKKDR-UHFFFAOYSA-N	306.370	1.561	50	20	DDGD	
CC[C@@H](Nc1ccccc1)C(=O)NNc1nccc(OC)n1	729262387	QAFHSZYSNPSJSF-GFCCVEGCSA-N	301.350	1.819	50	20	DDGD	
C[C@@H](CC(=O)O)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	827304504	WGYFGSHTWZBJEJ-VIFPVBQESA-N	324.402	1.889	50	20	DDGD	
Cc1cccc(N2C[C@H](C(=O)NN(C)[C@@H](C)CO)CC2=O)c1C	823982537	AIBWJXXRLCOMJN-GXTWGEPZSA-N	319.405	1.000	50	20	DDGD	
CCC[C@H](CCCS(C)(=O)=O)C(=O)NNC(=O)OCC	496434708	VTQOKXSJGAXQBM-SNVBAGLBSA-N	308.400	1.005	50	20	DDGD	
O=C(N[C@H]1CC[C@@H](c2ccccc2)C1)c1ccc(B(O)O)cc1	584970722	RRHRGVKYMNCSFV-WBVHZDCISA-N	309.174	1.433	50	20	DDGD	
O=C(NNC(=O)c1cccnc1O)c1cccc(OC(F)F)c1	728544795	LEJDDDRMRIBIAI-UHFFFAOYSA-N	323.255	1.463	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CC[C@@H](OCCN2CCCC2)C1	490755462	VCWYRNVBRAFHRE-SZGUKTLCSA-N	307.394	1.144	50	20	DDGD	
Cc1c(C(=O)NN(C)[C@H](C)CO)nnn1-c1ccccc1Cl	823959633	MYOLIWZRFAUJSX-SECBINFHSA-N	323.784	1.187	50	20	DDGD	
CC(C[C@H](C)NC(=O)OC(C)(C)C)=NNC(=O)c1cnn(C)c1	494470613	MXBIDYJKXOMUOP-JTQLQIEISA-N	323.397	1.829	50	20	DDGD	
COCCC1(c2nc(-c3ccc(B(O)O)cc3)no2)CCCC1	585050762	JVAJYSRTWMYZQY-UHFFFAOYSA-N	316.166	1.265	50	20	DDGD	
CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NNC(=O)CC2CC2)C1	496555746	YJASDSGAABYXHF-LLVKDONJSA-N	323.393	1.191	50	20	DDGD	
Cc1c(NNC(=O)NCCn2cccn2)cccc1[N+](=O)[O-]	734280428	LHXZYNSWNAENTO-UHFFFAOYSA-N	304.310	1.426	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C1C[C@H](C)O[C@H]1C	496185164	ISGJHYIFTUKQCI-SRVKXCTJSA-N	323.393	1.573	50	20	DDGD	
CCOc1ccc(NNC(=O)NCc2nn(CC)nc2C)cc1	824718936	SGKIFKHTYWGDKE-UHFFFAOYSA-N	318.381	1.831	50	20	DDGD	
O=C(/C=C/C1CCCC1)NNC(=O)[C@@H]1COc2ccccc2O1	493208801	QRDIKVLWXMQSHM-FEAKQIBJSA-N	316.357	1.720	50	20	DDGD	
C[C@@H]1CN(C(=O)/C(C#N)=C/c2ccc(F)cc2)C[C@@H](CO)O1	490692943	HYNQXOCQYMURMB-RSKNOSGTSA-N	304.321	1.341	50	20	DDGD	
CN(C)[C@@H](C(=O)NNc1cnccn1)c1cccc(Cl)c1	734245378	XNQDUSVYNGGLOV-CYBMUJFWSA-N	305.769	1.876	50	20	DDGD	
O=C(/C=C/c1ccc2[nH]ccc2c1)NNC(=O)Cc1ccncc1	492316157	FESZZRHRQMSGLW-DUXPYHPUSA-N	320.352	1.966	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)/C=C/c2scnc2C)n1	491959105	DAZLJPYXDAXBJS-VOTSOKGWSA-N	302.359	1.629	50	20	DDGD	
CC(F)(F)CNC(=O)NNC(=O)c1cc2c(s1)CCC2	836481266	KMOMQZZSWQUSFW-UHFFFAOYSA-N	303.334	1.836	50	20	DDGD	
COCCC(C)=NNC(=O)NCCNC(=O)OC(C)(C)C	495649247	BUFZCBJOUKXHIK-UHFFFAOYSA-N	302.375	1.223	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)NCCC(C)(C)C1CC1	838624873	FHJCLWOMYZIDBW-NSHDSACASA-N	315.414	1.195	50	20	DDGD	
COCCOc1cccc(/C=C(/C#N)S(=O)(=O)N(C)C)c1	588615617	ABOBTHOPBGBXNQ-UVTDQMKNSA-N	310.375	1.468	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C\c1ccc(N2CCC(O)CC2)cc1	905068754	JAYGMDNDAOYBTL-QINSGFPZSA-N	311.385	1.857	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1cccnc1)c1ccc2ccccc2n1	731866669	XZTKDELAFLBNTF-HNNXBMFYSA-N	322.324	1.124	50	20	DDGD	
C[C@@H]1C[C@@H]1c1ccc(CNC(=O)c2ccc(B(O)O)c(F)c2)o1	584931616	BRSDUEOMSDDURK-SKDRFNHKSA-N	317.125	1.152	50	20	DDGD	
CCS(=O)(=O)CC(C)=NNC(=O)NCCc1cccs1	733746971	HRQSIEFYOAMFNF-UHFFFAOYSA-N	317.436	1.400	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H]2C[C@H](C)n3ccnc32)n1	836629731	WVUGDZUKHQVNMB-UWVGGRQHSA-N	317.353	1.322	50	20	DDGD	
CCOCC1(C(=O)NNc2cccc(C(=O)OC)c2F)CC1	837060519	DCMARRTXWQNNMD-UHFFFAOYSA-N	310.325	1.872	50	20	DDGD	
O=C(NNc1cnccn1)c1cc(F)cc(N2CCOCC2)c1	832395896	XHEMIYQRLNEMAR-UHFFFAOYSA-N	317.324	1.209	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc(CC#N)cc1	831151539	YDZQXTMSFILVFI-MFKMUULPSA-N	302.334	1.330	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNc1cccc(C(=O)OC)c1F	837060868	GGYRYULJPPUGEW-VHSXEESVSA-N	312.341	1.974	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc3c(c2)C[C@@H](C)O3)n[nH]1	831417469	BRACKIMNJKAUNU-SECBINFHSA-N	300.318	1.116	50	20	DDGD	
Cc1[nH]ccc(=NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1Cl	831620587	DYGQYOMWDJTJTD-DTWKUNHWSA-N	312.757	1.043	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCOc2ccccc2F)n1	915889494	CRZFIEZKRVRGRB-UHFFFAOYSA-N	319.340	1.938	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CCn2cc(Cl)cn2)cc1	747173221	XUZDMPQGORARGH-UHFFFAOYSA-N	317.736	1.259	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cccc3c2OCO3)n1	740102574	LVCMLVWOILIYEF-UHFFFAOYSA-N	301.306	1.028	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc2c(c1)COC2	831598645	BLFSPZVEQHASCI-TVQRCGJNSA-N	305.334	1.295	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCO[C@H]2C(F)(F)F)cn1	912082817	ZLQBBRWTMBLPAU-VKJYCEFSSA-N	300.240	1.074	50	20	DDGD	
CC(C)NC(=O)Nc1ccc(C(=O)NN(C)C[C@H](C)O)cc1	910169850	HBXBAAWLGGLHGW-NSHDSACASA-N	308.382	1.174	50	20	DDGD	
CC(=NNC(=O)Cc1cn2ccccc2n1)c1cn(C)nc1C	747637716	AKZMMKCGKBXCRA-UHFFFAOYSA-N	310.361	1.459	50	20	DDGD	
C[C@H]1C(=NNC(=O)c2ncccn2)CC[C@@H](C(=O)O)C1(C)C	841665231	JATISGVMBALIJI-UWVGGRQHSA-N	304.350	1.719	50	20	DDGD	
Cc1nnc2ccc(C(=O)NNc3ccc(Cl)nc3)cn12	743817081	QOWXGRVNDNCFAZ-UHFFFAOYSA-N	302.725	1.843	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1nsc2ccccc12	843662570	UDBHBRCMLXVHIH-UWVGGRQHSA-N	319.386	1.411	50	20	DDGD	
COc1cccc(F)c1C(=O)NNC(=O)Cc1ccncc1	747428690	DWRLTAYKQIDJKY-UHFFFAOYSA-N	303.293	1.233	50	20	DDGD	
O=C(CC(F)(F)F)NN=Cc1ccc(-n2cncn2)c(F)c1	917551419	UYGNDRRVHIOUFT-UHFFFAOYSA-N	315.230	1.809	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2c[nH]nc2C1)c1cc2ccccc2o1	749475178	ZQNXVXNOXSUSFH-NSHDSACASA-N	324.340	1.722	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccc(F)cc2)CC1)c1ncccn1	841350186	HVTDWKZKDOPWMB-UHFFFAOYSA-N	314.320	1.400	50	20	DDGD	
C[C@@H](CN)NC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	841981709	DPUKTLQBKNSIGK-BDAKNGLRSA-N	310.423	1.164	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1C	843646778	QYLZRWPGXSAXNR-ZIAGYGMSSA-N	320.389	1.645	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cccc(Cl)c1[N+](=O)[O-]	749925262	ZGPHKSPNAMAPGJ-UHFFFAOYSA-N	300.702	1.602	50	20	DDGD	
Cc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)c1cccn1C	849193881	VBZACMOUEUIFJV-UHFFFAOYSA-N	302.290	1.317	50	20	DDGD	
CN(C)CCOc1ccc(C=NNC(=O)c2cccn2C)cc1	915957230	QRBBGQLODMABSB-UHFFFAOYSA-N	314.389	1.729	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(OCC2CC2)cc1	843644647	CTAQQTISQFSWTF-XHDPSFHLSA-N	318.373	1.661	50	20	DDGD	
CC(C)n1ccc(CC(=O)NNC(=O)Cc2ccc(F)cc2)n1	740749116	MFKMDJKZWVADLD-UHFFFAOYSA-N	318.352	1.536	50	20	DDGD	
CCNC(=S)NNC(=O)Nc1cc(OC)ccc1Cl	741864810	PSYFPCILRGYQFQ-UHFFFAOYSA-N	302.787	1.869	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1)c1ccncc1	916372824	WSYQXLSQEZKKEZ-MGPQQGTHSA-N	318.421	1.667	50	20	DDGD	
COc1ccccc1OCCC(=O)NNc1nccnc1OC	840572412	TYFLYWMUVSCTMF-UHFFFAOYSA-N	318.333	1.406	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(C(F)(F)F)cn1	843645800	SASHLVQIAIMHPX-CBAPKCEASA-N	317.267	1.286	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cc(=O)c2ccccc2o1	918364251	MTXRMEGXUQQWJO-UHFFFAOYSA-N	314.219	1.506	50	20	DDGD	
C[C@@H](c1ccccc1)[C@](C)(O)C(=O)NNC(=O)C1CCCC1	747360566	XRZDWJLBEZBBGG-SJCJKPOMSA-N	304.390	1.879	50	20	DDGD	
CCOC(=O)c1cc(/C=C(\C#N)C(=O)NC2CCCC2)[nH]n1	843268166	FRCWPGUAMMQBKZ-JXMROGBWSA-N	302.334	1.552	50	20	DDGD	
COc1cc2c(cc1OC)C(=NNC(=O)c1ncccn1)CC2	841664438	SXNVOALJODXIPK-UHFFFAOYSA-N	312.329	1.574	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)CCc2ccccc2O)[C@H]1OC	841623456	JZPGPNVAZOJERR-GDBMZVCRSA-N	306.362	1.621	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843662976	UQELKFOJHLBFHE-QCNOEVLYSA-N	308.403	1.732	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CCCS2(=O)=O)c(Cl)c1	848196495	CITXRNLYWVXMFA-LLVKDONJSA-N	302.783	1.669	50	20	DDGD	
Cc1nc(NC2CC2)sc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	844145829	FXBDJPQGUCXGSG-WPRPVWTQSA-N	324.406	1.212	50	20	DDGD	
O=C(CCCC1CCCCC1)NNC(=O)CN1CCCC1=O	920827537	UFPKSNPIMQDGAD-UHFFFAOYSA-N	309.410	1.507	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)NCc2ccon2)c1	747593798	GDGQRXPHEHPOMB-UHFFFAOYSA-N	318.333	1.201	50	20	DDGD	
CCNC(=O)NN=Cc1cc(OC)c(OC(C)=O)c(OC)c1	920827628	ODLXQNCVLHTALK-UHFFFAOYSA-N	309.322	1.282	50	20	DDGD	
N#Cc1cccc(NNC(=O)C2(n3cnnn3)CCCCC2)c1	845854829	APLNVWKMJNNNER-UHFFFAOYSA-N	311.349	1.347	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)CN(C)c1ccccc1)C1CC1	855102806	NASNZFDNABYOSA-LLVKDONJSA-N	306.435	1.417	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(F)c(F)c1)[C@@H]1CN(C)CCO1	921559393	YXJKAUGPJIESTR-RNCFNFMXSA-N	314.336	1.310	50	20	DDGD	
O=C(NN=C1CCCn2nccc21)[C@@H]1COc2ccccc2O1	853261818	VRMGFPJMNFWTLB-HNNXBMFYSA-N	312.329	1.337	50	20	DDGD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NC[C@]1(C)C[C@H]1Br	857400691	JFHOWQFXYUGJQF-KQXIARHKSA-N	320.227	1.860	50	20	DDGD	
CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(C)cc1	920381052	NQBHKPFHKZRNHM-ZDUSSCGKSA-N	309.391	1.205	50	20	DDGD	
CCCn1nccc1C=NNC(=O)COCc1ccccc1	853309466	CLRVQHGJYLDFSB-UHFFFAOYSA-N	300.362	1.960	50	20	DDGD	
CC(C)Oc1ncccc1NC(=O)NNC(=O)c1ccccn1	755947602	PIHKYRSBAVSWKQ-UHFFFAOYSA-N	315.333	1.730	50	20	DDGD	
O=C(CO)NNC(=O)c1ccc(Oc2ccc(F)cc2)cc1	753440020	PAJXRCRECJLQET-UHFFFAOYSA-N	304.277	1.371	50	20	DDGD	
COc1ccc(C(=O)NC[C@@]2(C)C[C@@H]2Br)nn1	857399173	VDLUKJCWYDRFPZ-GZMMTYOYSA-N	300.156	1.389	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C[C@H]1C(=O)Nc2c(F)cccc21	929186620	GWFLPIRMAHNJSD-SECBINFHSA-N	323.324	1.807	50	20	DDGD	
COc1cc(C=NNC(=O)OCC(F)(F)F)cc(O)c1O	853432283	UNWBMTJYNQSUEG-UHFFFAOYSA-N	308.212	1.729	50	20	DDGD	
O=C(NN=C1CCCc2cccnc21)[C@@H]1CN2CCC[C@@H]2CO1	853390203	PPHNYURZMSIKSZ-HIFRSBDPSA-N	314.389	1.101	50	20	DDGD	
CCc1cnccc1C(C)=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	853389335	DROIQCOZUHEXDR-ZBFHGGJFSA-N	316.405	1.347	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1cncc(F)c1	758387263	IGQVOLBXIPPNNF-UHFFFAOYSA-N	301.281	1.095	50	20	DDGD	
COc1ccc(NC(=O)NNC(=S)NCCSC)cc1	752758245	BUYRNGJDWLNYRL-UHFFFAOYSA-N	314.436	1.559	50	20	DDGD	
CCOc1ccc(C=NNC(=O)[C@H](C)OCCOC)c(C)c1	853314340	LASFBETVRZMZRG-ZDUSSCGKSA-N	308.378	1.895	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNc1cccc(C(=O)OC)c1C	855624122	BTXIRJGVJBKBFA-JTQLQIEISA-N	322.361	1.814	50	20	DDGD	
Cn1cnc2cc(CNC(=O)NNC(=O)C3CCC3)ccc21	924684851	UGQGYZYQHFQIQW-UHFFFAOYSA-N	301.350	1.204	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1ccnc(Cl)c1)C1CCCC1	855469721	PNGXHEXXIAYHGQ-CYBMUJFWSA-N	310.785	1.873	50	20	DDGD	
NC(=O)[C@H]1CCC[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2F)C1	855627089	VHWZRKVEPDROTM-IUCAKERBSA-N	324.312	1.469	50	20	DDGD	
CO[C@@]1(C)C[C@H]1NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	852688705	YNGVACZXUSZOGP-DAFXEFNNSA-N	321.421	1.711	50	20	DDGD	
C[C@@]1(CNC(=O)CN2CCCCCC2=O)C[C@H]1Br	857405251	YVKZLGUTMSTGIY-MFKMUULPSA-N	317.227	1.679	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc2nc(OC)ccc2c1	756331060	PIYLFMBJLDXXKV-UHFFFAOYSA-N	318.333	1.433	50	20	DDGD	
C[C@H](CC=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1	755663585	BDCLUONIZKSSCA-OCCSQVGLSA-N	323.418	1.652	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCC(=O)NC1CCCC1	750666141	JXNHZBJFLCOUQU-LCYFTJDESA-N	314.341	1.901	50	20	DDGD	
O=C(COc1ccccc1F)NN=Cc1cnc2n1CCC2	853265973	PABAWKYYSJCKPD-UHFFFAOYSA-N	302.309	1.498	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)CCC(C)(C)[N+](=O)[O-])C1CC1	855094699	FLSZUOFEIDLRMH-MRVPVSSYSA-N	302.400	1.116	50	20	DDGD	
CN1CCC(CNC(=O)NC[C@@]2(C)C[C@@H]2Br)CC1	856858210	SBSQOUPQPMDFRG-WCQYABFASA-N	318.259	1.801	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cc(O)cc(Br)c1	859328665	RZLCACXKMHNZTO-UHFFFAOYSA-N	313.151	1.716	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1nc2ccccc2n1C	755766454	ZZDAPEFYOHRENX-NSHDSACASA-N	304.350	1.075	50	20	DDGD	
Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@]1(C)C[C@H]1Br	857249163	CPWBCBDTNVCNTH-KOLCDFICSA-N	316.155	1.837	50	20	DDGD	
CN1CCCC[C@H](CNC(=O)NNc2ccc(Cl)nn2)C1	858767446	BVDZCITWFKTJSB-SNVBAGLBSA-N	312.805	1.488	50	20	DDGD	
Cc1nn(C)c(C)c1CC(=O)NNc1ccc([N+](=O)[O-])cc1F	855622119	WXOVHEGMPQYNBY-UHFFFAOYSA-N	321.312	1.770	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1cnn(C(F)F)c1	757864667	BJBUCDAJMLIGHS-UHFFFAOYSA-N	310.264	1.069	50	20	DDGD	
CCCCNC(=O)NNC(=O)C[C@@H]1CC(=O)Nc2ccccc21	930716090	CFFXGNOXGANGKQ-NSHDSACASA-N	318.377	1.633	50	20	DDGD	
CC1(C)Cc2cc(C=NNC(=O)[C@H]3CCC(=O)N3)ccc2O1	863144718	DVMZRSZLDHRUJF-GFCCVEGCSA-N	301.346	1.129	50	20	DDGD	
CC(C)(C)NCCC(=O)NNc1nnc(-c2ccccn2)s1	935590828	SCSJZUWQOWHTQE-UHFFFAOYSA-N	320.422	1.821	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cccc(C2OCCO2)c1	766825349	VCFOSTXOMXCNCD-UHFFFAOYSA-N	305.334	1.086	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNCC(F)(F)C(F)(F)F	863101626	AKNCQKKGNJOPER-ZCFIWIBFSA-N	306.231	1.394	50	20	DDGD	
CCCc1ccc(NC(=O)C(=O)NNC(=O)CC(C)C)cc1	763888558	OWIYUZRZWOKIHH-UHFFFAOYSA-N	305.378	1.771	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H](O)[C@H](C)c1ccccc1F	865015178	WGSSRDRGJXLCQC-MFKMUULPSA-N	311.357	1.421	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cccc(C(C)C)n1	762184828	LEHLKZMZJKPKIK-UHFFFAOYSA-N	320.393	1.271	50	20	DDGD	
COCCOc1cncc(C(=O)NNc2cccc(C)n2)c1	862520420	YHLVVOAUPHHXDU-UHFFFAOYSA-N	302.334	1.567	50	20	DDGD	
COCCOc1ccc(C(C)=NNC(=O)c2cn[nH]c2)cc1	863156155	NXVISNQCKJLLLP-UHFFFAOYSA-N	302.334	1.589	50	20	DDGD	
C[C@H]1COCCN1CCNC(=O)[C@@H](Br)C(C)(C)C	767955896	IBUVBDHFRHALQA-WDEREUQCSA-N	321.259	1.633	50	20	DDGD	
Cc1sc(Cl)nc1C(=O)NNC(=O)Cc1cccnc1	762866831	XNHKQSLYLAJUTE-UHFFFAOYSA-N	310.766	1.504	50	20	DDGD	
Cc1ccccc1-n1cc(C(=O)NN[C@H](C)C(F)(F)F)nn1	862322877	MSUXCSTXOHPUSL-SECBINFHSA-N	313.283	1.761	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cn(C)nc2C(C)(C)C)n[nH]1	769570822	WGHZTVCYEWCWNV-UHFFFAOYSA-N	302.382	1.442	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1	875421182	LVYBYPNDGJRQRS-YUTCNCBUSA-N	302.378	1.974	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@@H]1C(=O)O)c1cccc(Cl)c1	872831946	RWTUZNUVDOOPAN-QWRGUYRKSA-N	310.737	1.602	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H](c1ccsc1)N(C)C	875071206	GIFVLVIFVGQITL-SNVBAGLBSA-N	300.384	1.263	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccccc1O[C@H]1CCOC1	878930046	XREZNRFYRDUEGO-JTQLQIEISA-N	309.322	1.589	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1ccc2c(c1)C(=O)NCC2	775624980	UEMSCJAGKKOWLM-UHFFFAOYSA-N	316.296	1.050	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)Nc1cnn(C(F)F)c1	772473228	OJULVRZQEBRSNB-UHFFFAOYSA-N	303.660	1.870	50	20	DDGD	
O=C(/C=C\[C@@H]1CCOC1)NNC(=O)c1nc2ccccc2s1	874914437	WXIIVUUGLBTZQA-WWQCOOJYSA-N	317.370	1.650	50	20	DDGD	
CCS(=O)(=O)c1ccc(NC(=O)NNc2ncccn2)cc1	775469585	HEMVYMRRCBGHMK-UHFFFAOYSA-N	321.362	1.419	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1	770349370	KOTMNKYGLAPYTN-LBPRGKRZSA-N	320.393	1.720	50	20	DDGD	
CN1C(=O)CCc2cc(C=NNC(=O)c3cnccn3)ccc21	774371332	MVPWCANNDWKMRT-UHFFFAOYSA-N	309.329	1.150	50	20	DDGD	
COc1ccnc(NNC(=O)C(=O)Nc2cc(F)ccc2C)n1	773729838	AYUWCGTZBZLHKW-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
CCc1nn(C)c(OC)c1CNC(=O)NNc1ccc(F)cn1	772109200	XQQCMMNDIMWNKY-UHFFFAOYSA-N	322.344	1.352	50	20	DDGD	
COC(=O)c1ccnc(NC(=O)NNc2ccc(C#N)cc2)c1	770675602	DQYJKEYEOVWWHK-UHFFFAOYSA-N	311.301	1.888	50	20	DDGD	
CCCc1nc(C)c(NC(=O)NNC(=O)c2cnn(C)c2)s1	777011196	CZPLCGXYFJMVSF-UHFFFAOYSA-N	322.394	1.604	50	20	DDGD	
CC(F)(F)C1(C(=O)NNC(=O)CCc2ccccc2O)CC1	1118767707	XISCUHVRVYEDGE-UHFFFAOYSA-N	312.316	1.908	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cncc(OCC(F)F)c1	1116317212	FNNROVZRDBVMNW-UHFFFAOYSA-N	318.349	1.243	50	20	DDGD	
CN(C)[C@H](C(=O)NNc1nc2ccccc2[nH]1)c1cncn1C	870211859	IMYNQRLUUKZZBC-ZDUSSCGKSA-N	313.365	1.042	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(C)n(-c2ccc(F)cc2)n1	777371975	GVFQZTAQYUKLIP-UHFFFAOYSA-N	305.313	1.284	50	20	DDGD	
O=C1Cc2ccc(NC(=O)NNC(=O)C3CCCC3)cc2N1	889708377	WCBCTGRTANTTRK-UHFFFAOYSA-N	302.334	1.524	50	20	DDGD	
C[C@@H](C(=O)NNc1c(F)cc(F)cc1F)[C@@H]1CCC(=O)N1	885154008	UVZZRWDXWUHJKI-LDWIPMOCSA-N	301.268	1.462	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(F)c(NC(=O)OC)c1	887154301	GCNBZRJZNXBTIR-UHFFFAOYSA-N	321.308	1.569	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc2occc2s1	772140554	VBJSCILUEMOQIX-SSDOTTSWSA-N	310.331	1.597	50	20	DDGD	
OB(O)c1cccc(-c2noc(-c3ccncc3Cl)n2)c1	1122842378	FQFCVQKPSIQSGG-UHFFFAOYSA-N	301.498	1.132	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCc1nnnn1CC1CCOCC1	786675641	LFWSQCDRQPUHKG-QPEQYQDCSA-N	317.349	1.003	50	20	DDGD	
CC(=NNC(=O)C(F)F)[C@H](c1ccccc1)N1CCOCC1	782237612	MXKORKIIPGZSSP-CYBMUJFWSA-N	311.332	1.817	50	20	DDGD	
O=C(NNc1cccnn1)C(=O)Nc1cc(F)ccc1Cl	784862929	OUFNIOYPOBCHID-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
CC(C)c1nc([C@@H](C)NS(=O)(=O)CCCCCl)n[nH]1	780824508	DPAKHYYFMGLXDI-SECBINFHSA-N	308.835	1.928	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(-c2csnn2)cc1	785845734	HPJVEQJICRVXJO-UHFFFAOYSA-N	320.378	1.903	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNC(=O)Nc2ccccc2C)no1	783410428	AHOVJLPXUXLIAC-UHFFFAOYSA-N	317.305	1.083	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCc1nc(C2CC2)no1	787082901	GCNVEHNOEIKQNL-KPKJPENVSA-N	310.313	1.876	50	20	DDGD	
O=C(NCC1CC1)C(=O)NNC(=O)c1cccc2ccccc12	788511304	MYWRMUFSUMJFNZ-UHFFFAOYSA-N	311.341	1.127	50	20	DDGD	
Cc1cc(C2CCN(CC(=O)NNC(=O)C(C)(C)C)CC2)n[nH]1	782492747	MPJSJRZHCHXRAH-UHFFFAOYSA-N	321.425	1.091	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1c[nH]nc1-c1cc2ccccc2o1	780158096	FTJAGTNTJQVVCT-UHFFFAOYSA-N	310.313	1.994	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1csc(Cl)c1	786346798	FLFVRLNYOMXJHF-LURJTMIESA-N	304.755	1.504	50	20	DDGD	
CCCCC[C@H](NS(=O)(=O)CBr)C(=O)OC	782466824	BJMCQGSJYUCBBH-QMMMGPOBSA-N	316.217	1.380	50	20	DDGD	
C#CCSCC(=O)Nc1cccc(NC(=O)NN(C)C)c1	897593999	PODPNYLJPXRJJV-UHFFFAOYSA-N	306.391	1.590	50	20	DDGD	
CCOc1ccc(CCCC(=O)NN(C)C(N)=O)cc1OCC	897277273	IKWYNVLTJZEZOE-UHFFFAOYSA-N	323.393	1.848	50	20	DDGD	
CC1(C)CC(=NNC(=O)C[N+](C)(C)C)c2cc([N+](=O)[O-])ccc21	794455521	HNTFCWHGFHQEKI-UHFFFAOYSA-O	319.385	1.803	50	20	DDGD	
C[C@H](NC(=O)CCC(=O)NNC(=O)C1CCC1)c1ccccc1	896294257	RMPZDSUTGWBLCQ-LBPRGKRZSA-N	317.389	1.592	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(C)nc3ccccc23)ncn1	799007110	QEAQRRDQERQAEF-UHFFFAOYSA-N	321.340	1.716	50	20	DDGD	
CCNc1ncc(C(=O)NNC(=S)NC(C)(C)C)s1	899999430	MMNYSSGUPULWAB-UHFFFAOYSA-N	301.441	1.482	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Cc1ncc(C)s1	792798179	MHEFPJGCNKHCNC-UHFFFAOYSA-N	319.386	1.393	50	20	DDGD	
CC1(C)CC(=NNC(=O)CO)c2cc(Br)ccc21	794526926	SUHYSXYHSYKQGB-UHFFFAOYSA-N	311.179	1.943	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])C1(C(=O)NC2CC2)CC1	791069540	MYVYGSJORLJKEA-UHFFFAOYSA-N	322.296	1.236	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)nn1)c1cccc(Cl)c1	798150499	PSYIJKRTSDFIHV-UHFFFAOYSA-N	311.128	1.858	50	20	DDGD	
COc1coc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1=O	798825666	BJBNNCMPZYHZSN-UHFFFAOYSA-N	322.704	1.377	50	20	DDGD	
COCc1cc(C=NNC(=O)Cc2ccccc2OC)no1	794900674	AZSRHXJLQRKKLP-UHFFFAOYSA-N	303.318	1.522	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)c2ccccc2O)[nH]c1C	799465981	UPEGAEDMUWGFTQ-UHFFFAOYSA-N	315.329	1.969	50	20	DDGD	
N#C/C(=C/c1ccccc1)C(=O)OC[C@@H]1CCCS(=O)(=O)C1	792184748	VIMFRZDOXAVNHH-BUYRESAOSA-N	319.382	1.962	50	20	DDGD	
Cc1cc(C(=O)NN=C2CCC[C@@H](c3ccnn3C)C2)n[nH]1	790294647	VKVTWVSAGSRCAF-LLVKDONJSA-N	300.366	1.895	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)c1cccc(C)n1)c1ccccc1C	795469235	RZNBAWBWVJRPDC-HNNXBMFYSA-N	313.357	1.847	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@H](C)O[C@@H](C2CC2)C1	791554313	GYUKXNVPFLSDRB-SGMGOOAPSA-N	311.426	1.068	50	20	DDGD	
CC[C@@H]1C[C@@H](CC(=O)NNC(=O)c2cccc(C)n2)CCO1	794076524	PYIJBMVRQLIVCK-QWHCGFSZSA-N	305.378	1.746	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1CCSc2ccccc21	798305523	SUSLRIFCMJWHCV-LLVKDONJSA-N	307.444	1.947	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccnn2CC(F)F)c(O)c1	790562973	RUBAPZJCMITTNJ-UHFFFAOYSA-N	324.287	1.237	50	20	DDGD	
CC(=NNC(=O)c1nnc(O)c2ccccc12)C1CCOCC1	1319218071	JRMWAYJDLQMKIX-UHFFFAOYSA-N	314.345	1.868	50	20	DDGD	
COc1ccccc1OCC(=O)NNc1nncc(N)c1Cl	1319216014	RRUKCJVIEAJDGH-UHFFFAOYSA-N	323.740	1.243	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CCCCN1Cc1cccnc1	1323262334	VHGJIORQUATABY-CYBMUJFWSA-N	306.366	1.166	50	20	DDGD	
C=C[C@@H](COC)NC(=O)NNC(=O)COc1cc(C)ccc1C	1320312796	JUEILXAHKNUDRU-ZDUSSCGKSA-N	321.377	1.214	50	20	DDGD	
C=C(C)CN(C)C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1328547496	LLCWJJPVVTUGDH-CABZTGNLSA-N	303.200	1.311	50	20	DDGD	
Cc1coc(C(=O)NNC(=O)Cn2cnc3ccccc32)c1C	1323462754	RVPFOFKUHGXNDM-UHFFFAOYSA-N	312.329	1.707	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@H]2CCOC[C@H]2C)cc1	1324990407	UUCLGWQPDVHCBP-DGCLKSJQSA-N	321.377	1.312	50	20	DDGD	
CCC(Cc1ccc(OC)c(OC)c1)=NNC(=O)C(=O)OC	1320343730	AUSOCSPTXMMOOU-UHFFFAOYSA-N	308.334	1.302	50	20	DDGD	
Cc1nc(N(C)C)sc1C(=O)NNc1ccnc(N(C)C)n1	1320142479	DFTYLEIGUWLHJC-UHFFFAOYSA-N	321.410	1.130	50	20	DDGD	
CCOC(=O)CCCNC(=O)NNc1ccc(C(C)(C)C)nn1	1321936896	GEXSJFKIGHXAPB-UHFFFAOYSA-N	323.397	1.744	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccn(Cc2ccccc2)n1	1320665985	HXDPQSJZJNJFME-UHFFFAOYSA-N	317.418	1.449	50	20	DDGD	
CC1CCN(c2ccc(C(=O)NNc3ccn(C)n3)cn2)CC1	1325428782	UFBOVARTHWJACN-UHFFFAOYSA-N	314.393	1.808	50	20	DDGD	
COCC(=O)NCCC(=O)NNc1c(Cl)cccc1Cl	1253057134	CUDDGONKYIWTIW-UHFFFAOYSA-N	320.176	1.589	50	20	DDGD	
CC[C@H](CSC)N(C)CC(=O)NNC(=O)c1cccs1	777723798	LERYDUJWTFJUEG-SNVBAGLBSA-N	315.464	1.583	50	20	DDGD	
C#CCCCC(=O)NN=Cc1ccc(OCC(=O)OCC)cc1	1336039142	HJSAHVXPGJMGAZ-UHFFFAOYSA-N	316.357	1.882	50	20	DDGD	
CCn1c(C(=O)NNC(=O)[C@H]2CCCCO2)cc2ccccc21	1261264924	MMQZDBZFKZWAJH-OAHLLOKOSA-N	315.373	1.991	50	20	DDGD	
CN(C)C(=O)Cn1ccc(NC(=O)C2CCC(Cl)CC2)n1	1346392441	WWAUMDONMNRAMM-UHFFFAOYSA-N	312.801	1.707	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)NCCC(F)F)c1	1263795165	NTYYZRDXZDKRJM-UHFFFAOYSA-N	315.320	1.668	50	20	DDGD	
C[C@@H](CC(F)(F)F)NC(=O)NNc1nncc(N)c1Cl	1342672334	ANEOQTNBGWGXAH-BYPYZUCNSA-N	312.683	1.679	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NNC(=O)[C@@H]2C[C@H]2F)n[nH]1	1519840893	JBKXNIFBZDZGQF-NXEZZACHSA-N	318.308	1.204	50	20	DDGD	
O=C(NCCn1ccnc1)NNc1ccc(F)c(C(=O)O)c1	1601518011	LNJLHZKAUJSMNV-UHFFFAOYSA-N	307.285	1.047	50	20	DDGD	
CC1(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCC(=O)CC1	1603748846	XPVGOXZBTPQROL-UHFFFAOYSA-N	314.349	1.459	50	20	DDGD	
O=C(O)c1ccnc(C(=O)N2C[C@H]3[C@H](Br)[C@H]3C2)c1	1608951032	AVDREPVVVAOEEM-MBTKJCJQSA-N	311.135	1.245	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)c1cc2ncccn2n1	1601556476	CKIMGKKXOXUTLJ-UHFFFAOYSA-N	315.264	1.324	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccoc2)ccc1C(=O)O	1607690674	LLVWCVXICHENKM-UHFFFAOYSA-N	303.274	1.753	50	20	DDGD	
Cc1ccc(C(=O)O)cc1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	1600359719	YNFBPNVJNWGLNS-MWLCHTKSSA-N	321.333	1.271	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@H](O)c2ccccc2)ccc1F	1602286919	UZKHOUISIQCPIB-CYBMUJFWSA-N	304.277	1.701	50	20	DDGD	
CC(=NNC(=O)c1ccccc1Cl)c1cn(CC(=O)O)nn1	1609645743	JHVKAAZYMAFAOW-UHFFFAOYSA-N	321.724	1.170	50	20	DDGD	
CC(C)(C)n1cnc(NC(=O)NNc2ncccc2C(=O)O)n1	1602928258	KHJXGZIRDJKZRY-UHFFFAOYSA-N	319.325	1.275	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)/C=C\c2cc(C(=O)O)co2)o1	1600341431	GELIVBRUJYFBQF-HYXAFXHYSA-N	304.258	1.354	50	20	DDGD	
Cc1c(NNC(=O)[C@H](C)CN2CCOCC2)cccc1C(=O)O	1600050849	JRLMZTALTNQJIQ-LLVKDONJSA-N	321.377	1.105	50	20	DDGD	
O=C(NN[C@H](Cc1ccc(F)cc1)C(=O)O)c1ccccn1	1601557464	MDWRNBKCIQUSBC-CYBMUJFWSA-N	303.293	1.151	50	20	DDGD	
O=C(/C=C/C1CC1)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1609516734	KGFSEXNKDRHOFT-ZZXKWVIFSA-N	304.741	1.929	50	20	DDGD	
O=C(NNc1cccc(F)c1C(=O)O)c1nnc(C2CC2)o1	1608482785	LSEJOVUHKSPBEQ-UHFFFAOYSA-N	306.253	1.541	50	20	DDGD	
Cc1ccn2ncc(C(=O)NNc3ccccc3C(=O)O)c2n1	1610535604	QBMFQTRPSLWIFN-UHFFFAOYSA-N	311.301	1.493	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@@H]1C(=O)NN=CC1CCOCC1	1549310034	KSYLLGSETSELDT-KBPBESRZSA-N	320.393	1.416	50	20	DDGD	
COC1C[C@@H]2CC(=NNC(=O)[C@@H]3CN4CCC[C@H]4CO3)C[C@H]2C1	1549312943	GCZOIVZBAOGJRY-OXXVUNODSA-N	321.421	1.157	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@H]1C=NNC(=O)c1cnccn1	1552757352	CXFKJHKZDJYFAW-AAEUAGOBSA-N	314.349	1.186	50	20	DDGD	
O=C(NNc1ccnc(C(F)(F)F)c1)[C@H]1C[C@]12CCNC2	1574334012	IZCIHBDMEZAQHE-SKDRFNHKSA-N	300.284	1.543	50	20	DDGD	
C/C=C\[C@@H]1CNC[C@H]1C(=O)NNC(=O)c1cccc2cccnc12	1576924107	FVDVERDTNSDZEZ-YYTOUKDWSA-N	324.384	1.408	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@@H]1CN1CCC[C@H](CNC(=O)[C@@H]2CCCN2)C1	1576572824	NAACNNIAJXFTEJ-QRTUWBSPSA-N	313.873	1.440	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(C(=O)O)c1F)c1ccnn1C	1589422071	AOXFWQMJDLJCEJ-QMMMGPOBSA-N	306.297	1.504	50	20	DDGD	
C/C(=C\C(=O)NNc1ccc(CC(=O)O)cc1)c1cnccn1	1588942967	UQIBQXDXKKCYRX-DHZHZOJOSA-N	312.329	1.650	50	20	DDGD	
C=CC(C)(C)CCNC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1588486648	HDVKBEZULANBIH-UHFFFAOYSA-N	316.369	1.490	50	20	DDGD	
CN(C)Cc1ccc(C(=O)NN=Cc2ccc(C(=O)O)s2)o1	1593702594	ZPZFDGSZHZSZTD-UHFFFAOYSA-N	321.358	1.865	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1cc(Cl)ccn1	1593163391	SHKLKNUVZOSADV-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cccc(C)c1C(=O)O	1594867402	ZLYTYSYZZQMQMH-MRVPVSSYSA-N	314.363	1.049	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(C(=O)O)c1)c1ccnn1C	1593102445	SBMBQSAEMOSMSJ-VIFPVBQESA-N	303.322	1.506	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(CC(=O)O)cc1)c1nccn1C	1593101294	BRIRTGSEKHZVHC-SNVBAGLBSA-N	317.349	1.435	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)c1cc(C(=O)O)nn1C	1597581156	QCBWROQJXRANPJ-UHFFFAOYSA-N	302.334	1.746	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cccc(C(=O)O)c2)c1Cl	1594666556	QGDLDOISBDYOLA-UHFFFAOYSA-N	307.697	1.167	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)CCCCCCC(=O)O	1776052354	DKGLRLWQYVCKPD-UHFFFAOYSA-N	301.343	1.260	50	20	DDGD	
CC(C)(C)OC(=O)N(CCO)N=Cc1ccc(/C=C/C(=O)O)o1	1776110793	UEIFAMPGWFMGPT-NHQHCWQKSA-N	324.333	1.941	50	20	DDGD	
COc1ccc(C)c(C=NNC(=O)[C@@H]2CCO[C@H]2C)c1C(=O)O	1776082221	DJHDUSXGKVOHEI-WDEREUQCSA-N	320.345	1.577	50	20	DDGD	
COc1ccc(OCC(=O)NNc2nc(C)cc(C)n2)cc1	14512067	URNVHZLIXMWRDO-UHFFFAOYSA-N	302.334	1.624	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2cccc(N(C)C)n2)nn1	164258122	HCQWGPXQFXXCFH-UHFFFAOYSA-N	301.354	1.072	50	20	DDGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCCN(C(N)=O)CC1	153596385	STBJYDYKFMJAMZ-MKMNVTDBSA-N	315.333	1.546	50	20	DDGD	
CCn1nc(C)c(NC(=O)C(=O)NNc2ccccc2F)c1C	155596524	MEGKVJBQNHGFHL-UHFFFAOYSA-N	319.340	1.741	50	20	DDGD	
CC(C)c1ccc2c(c1)/C(=N/NC(=O)C(=O)NC1CC1)C(O)=N2	8219171	JNPQQYLCFGYTHL-UHFFFAOYSA-N	314.345	1.511	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)CCCN2C(=O)CNC2=O)c1	159053303	GMIMUVLCHWGLHU-UHFFFAOYSA-N	304.350	1.079	50	20	DDGD	
O=C1CCC(=O)N1[C@H](O)[C@@H](Cl)Cc1ccc2ncccc2c1	116144467	FUPWOFWDARMISK-BLLLJJGKSA-N	318.760	1.852	50	20	DDGD	
CC(C)N1CCC(N(C)S(=O)(=O)CBr)CC1	127147985	DWOJTGKTPQKWHY-UHFFFAOYSA-N	313.261	1.473	50	20	DDGD	
CSSCCNS(=O)(=O)c1cccc(C(=O)O)c1C	283802109	AOUFRRSXGYVSPT-UHFFFAOYSA-N	321.445	1.983	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)[C@]1(C)C[C@H]1Br	906432716	NTFQZXFTYSMENV-PRHODGIISA-N	321.215	1.801	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(Cl)cc2)n1	6427367	SRWPXOGTVXJBNP-UHFFFAOYSA-N	306.753	1.615	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Cc2cccc(F)c2)c1O	53604435	JCQDWSOOIWTTAF-UHFFFAOYSA-N	318.304	1.544	50	20	DDGD	
C#CCCCCC(=O)NNC(=S)NCCc1cccs1	179875344	KIOXTQJJTNTJDT-UHFFFAOYSA-N	309.460	1.980	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C	175651210	XJXPKAFRPKGHMM-MEBBXXQBSA-N	323.368	1.816	50	20	DDGD	
Cc1cn(CC(=O)NNC(=O)NCC2CC2)c2ccccc12	50612532	NGOLRHZGUOPJTD-UHFFFAOYSA-N	300.362	1.690	50	20	DDGD	
CC(C)n1nccc1NC(=O)NNC(=O)c1ccc(C#N)cc1	57980251	ZUZHYOQKEVGBEH-UHFFFAOYSA-N	312.333	1.802	50	20	DDGD	
CCN(CC)C(=O)c1ccc(C(=O)NNc2cnccn2)cc1	114882440	ZXLOKJSWOZQANV-UHFFFAOYSA-N	313.361	1.716	50	20	DDGD	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNC(=O)NC	119699675	HHCZHPLRYQDNDN-UHFFFAOYSA-N	317.267	1.844	50	20	DDGD	
COCc1cc(C(=O)NNC(=O)c2cccc(Cl)c2)no1	173060894	WNWDVZDAROSASS-UHFFFAOYSA-N	309.709	1.549	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2cc(F)ccc2F)n1	105285776	QVLSCOODAPTJHQ-UHFFFAOYSA-N	309.276	1.590	50	20	DDGD	
O=C(NCCn1cc([N+](=O)[O-])cn1)NNc1ccccc1Cl	178598663	HLMWZNMBVIANBW-UHFFFAOYSA-N	324.728	1.771	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)COc1ccccc1F	66307071	FCOKDNUSZHSVMK-LLVKDONJSA-N	310.325	1.333	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)[C@H](CC)OC)cc1OC	68177072	DTAUBNWBFNOZSE-LBPRGKRZSA-N	324.377	1.670	50	20	DDGD	
O=C(COC(=O)CC1CCCCC1)NNC(=O)c1ccccc1	28629937	PBAWKUDLNWUVSM-UHFFFAOYSA-N	318.373	1.961	50	20	DDGD	
Cc1nn(C)cc1C(=O)NNC(=O)Cc1ccc2ccccc2c1	113417553	JBYZPSSFKPKAQJ-UHFFFAOYSA-N	322.368	1.885	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1	181493813	LOTWUQQZSGHZKH-UHFFFAOYSA-N	318.264	1.816	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cc1ccc(C#N)cc1)C1CC1	175551468	QUXQCEHHOORWSK-SNVBAGLBSA-N	302.403	1.395	50	20	DDGD	
O=C(CCNc1ccccc1[N+](=O)[O-])NNc1ccccn1	181216313	FMVAYXLNHBBZLQ-UHFFFAOYSA-N	301.306	1.935	50	20	DDGD	
C[C@@H]1CCc2c(C(=O)NNC(=O)[C@@H]3CCCO3)csc2C1	32260751	URERJIFXCIOYAC-SKDRFNHKSA-N	308.403	1.813	50	20	DDGD	
Cn1nccc1NC(=O)NNc1ccc(C(F)(F)F)cn1	125206002	CMZXRZADGVHUIK-UHFFFAOYSA-N	300.244	1.983	50	20	DDGD	
CC(=O)N1CC[C@@H](NC(=O)NNc2cc(F)c(F)c(F)c2)C1	120706332	OSEYRVJSOXCTEV-MRVPVSSYSA-N	316.283	1.351	50	20	DDGD	
CCNc1nc(C(=O)NNC(=O)c2ccc(C#N)cc2)cs1	128036004	RMAFOHRNEAFXSH-UHFFFAOYSA-N	315.358	1.521	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc2oc(CC)nc2c1	185601547	WWHQLROKIWTQLV-UHFFFAOYSA-N	306.322	1.579	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)/C=C/c2ccc(O)c(O)c2)n1	180620257	NVELLWVRXVTTKA-GQCTYLIASA-N	300.318	1.661	50	20	DDGD	
NC(=O)COc1ccccc1C(=O)NNc1ccccc1Cl	128958981	DUPRBOMNCJMMPR-UHFFFAOYSA-N	319.748	1.961	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2csnc2C)c1	181035819	IBATUDKKJIEYLL-UHFFFAOYSA-N	305.359	1.600	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2cccc(Cl)n2)c1	120286385	YNSPSQMSJZCYNK-UHFFFAOYSA-N	319.748	1.883	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1ccc(C)o1	71822093	IMEBTPPCCPTPNO-UHFFFAOYSA-N	303.318	1.470	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)no1	78263246	PZKXBICMHVHCCD-SECBINFHSA-N	322.296	1.742	50	20	DDGD	
C#CCNC(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C	79264636	NVOFBSCEIOCLIQ-UHFFFAOYSA-N	310.357	1.671	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc(OCC(F)F)nc1	124965141	PWTOPFRZSCIIFV-UHFFFAOYSA-N	314.292	1.080	50	20	DDGD	
C=CCNC(=S)NNC(=O)CSCc1cscn1	127792781	DMTLMFMRTYQXKO-UHFFFAOYSA-N	302.450	1.058	50	20	DDGD	
O=C(NCC1(c2ccccc2)CC1)NNC(=O)[C@@H]1CCCO1	79053334	DTLHIWAIKZRKSD-ZDUSSCGKSA-N	303.362	1.228	50	20	DDGD	
C=C[C@@](C)(CCOC)C(=O)NNC(=O)c1cccc(N(C)C)c1	187846234	XIMMEPRQXCFVGV-KRWDZBQOSA-N	319.405	1.742	50	20	DDGD	
O=C(O)CCCCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	221341696	MDKTYUBNAOTGIH-UHFFFAOYSA-N	309.278	1.001	50	20	DDGD	
C#CCNC(=O)NNc1c(F)cc(F)cc1Br	80586638	ZHLFXFAWCRDXKV-UHFFFAOYSA-N	304.094	1.987	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNC(=O)c2ccc(C)o2)ccc1F	84285134	HJKOFGHLRLYRFF-UHFFFAOYSA-N	319.292	1.760	50	20	DDGD	
CC[C@H](NNC(=O)c1cccc(Br)c1)C(=O)OC	192853483	FKXFJEORITYFGX-JTQLQIEISA-N	315.167	1.635	50	20	DDGD	
CC(=O)NNC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1	45826798	MCGHXVKDRCCIDF-ZDUSSCGKSA-N	311.341	1.360	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(C)c([N+](=O)[O-])c1	192567370	UYCACCSCTPTYNS-PZHUPROXSA-N	303.318	1.961	50	20	DDGD	
COC(=O)NN=Cc1cc(Br)c(O)c(OC)c1	254492112	CWJZYXYTBBIATA-UHFFFAOYSA-N	303.112	1.853	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)c2c(Cl)cccc2Cl)N1	263917021	QOMJLSLBLUBJEF-QMMMGPOBSA-N	316.144	1.033	50	20	DDGD	
Cn1c(NNC(=O)/C=C\c2ccco2)nc2ccccc2c1=O	263633164	KDCFVJMQIDZDNQ-HJWRWDBZSA-N	310.313	1.683	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)C2CCC2)nn1-c1ccc(F)cc1	264664501	FFQQOEGFXRSMQJ-UHFFFAOYSA-N	317.324	1.276	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@H]2CCCS2)cc1	266518526	IKLHJXQMKIZZRD-CYBMUJFWSA-N	308.403	1.671	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNC(=O)CCCc1ccccc1	264165557	VMECQGPTUXQNFG-UHFFFAOYSA-N	321.377	1.291	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)CCCCCl)C[C@@]2(CCOC2)O1	366509308	UCLQQXSAVKXJRA-NWDGAFQWSA-N	311.831	1.215	50	20	DDGD	
CCCOc1ccccc1NC(=O)C(=O)NNC(=O)[C@H](C)CC	274050812	ITOHKYFHLGFLPA-LLVKDONJSA-N	321.377	1.607	50	20	DDGD	
CC(C)[C@H]1C[C@@H](CC(=O)NNC(=O)NCc2ccco2)CCO1	273085615	IAGZXDRNKRHJCM-GXTWGEPZSA-N	323.393	1.951	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccc(OC[C@@H]2CCCO2)c1	271356126	MHMFGOPGWMGUQW-AWEZNQCLSA-N	321.377	1.551	50	20	DDGD	
Cn1cc([C@H]2OCC[C@@H]2C(=O)NNC(=O)OC(C)(C)C)cn1	275312208	ORPHMRJBVYMLNT-WDEREUQCSA-N	310.354	1.054	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc3c(cn2)OCCC3)n1	363701043	NVCQSJDZMSLOSV-UHFFFAOYSA-N	315.333	1.271	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)CC(C)C)c(C)c1F	272818669	JLQKOGNOHXQFEH-UHFFFAOYSA-N	318.370	1.498	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@H]1COc2ccccc21	271279513	NUBRRGBPFSVLQH-JTQLQIEISA-N	311.432	1.021	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccc(N2CCCC2)c(F)c1	273177296	GGTBLFGHWSRSGO-UHFFFAOYSA-N	306.341	1.989	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)NCC1CCC1	270618040	JKQBPMZSULZDMB-UHFFFAOYSA-N	309.391	1.615	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(F)c(C)c1	276574668	NSBLGMNFGDNFEU-UHFFFAOYSA-N	312.341	1.684	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)nc1	276032082	WGGQTHDBONSFJD-MFKMUULPSA-N	305.382	1.199	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCSC[C@H](C)C1	277149810	HJZKZIDUKOKFCQ-LLVKDONJSA-N	323.418	1.735	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)N[C@H]1CCC[C@@H]1CCO	275321213	DOPIJCFCKLJNQC-ZJUUUORDSA-N	321.406	1.869	50	20	DDGD	
CC(=O)NCc1ccc(NC(=O)NNC(=O)CC(C)(C)C)cc1	273560463	HYYOGGZHNVXOHM-UHFFFAOYSA-N	320.393	1.912	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNC(=O)c2cc(C)n[nH]2)C1(C)C	273825991	KUKBQQOGHHHEKN-MNOVXSKESA-N	306.366	1.121	50	20	DDGD	
COc1ccnc(NNC(=O)NCC(C)(C)CN2CCCC2)n1	276963367	WXFMSQBJJBMJJR-UHFFFAOYSA-N	322.413	1.233	50	20	DDGD	
O=C(NNc1ncccc1F)c1ccnc(O[C@H]2CCOC2)c1	286070612	SOYJQOQPIDHWIZ-NSHDSACASA-N	318.308	1.540	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)C(C)(C)c2cccc(F)c2)CC1	282864209	HWFGVAXSJHTOQV-UHFFFAOYSA-N	322.384	1.092	50	20	DDGD	
CSSCCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1	375174893	PRCYCRKFKROXHC-WDEREUQCSA-N	305.469	1.160	50	20	DDGD	
COc1ccc(NNC(=O)[C@]2(O)CCc3ccccc3C2)nc1	376089410	SXRVXFMOYPPMOT-KRWDZBQOSA-N	313.357	1.453	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)c2ccc3ccccc3n2)C1	286841810	ZMQWGUPNSHEIRV-UHFFFAOYSA-N	313.357	1.811	50	20	DDGD	
C[C@H](NC(=O)CC1CCCCC1)C(=O)NNc1ccncn1	295414482	IFRGCKRUNDLJFD-NSHDSACASA-N	305.382	1.395	50	20	DDGD	
O=C(CCc1cccc(F)c1F)NNC(=O)N=c1cc[nH]cc1	802027480	ISVCSEFOTKUFML-UHFFFAOYSA-N	320.299	1.567	50	20	DDGD	
CCc1ccc(CCC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	294418292	YNBQSNUWGDMMOE-WFASDCNBSA-N	304.390	1.897	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)Nc1cc2ccccn2n1	806650073	QWDFONOASBGHRT-UHFFFAOYSA-N	311.301	1.506	50	20	DDGD	
O=C(NCc1ccc2c(c1)CCO2)NNc1cccc(F)n1	805045577	RNJKKZRWZZBIJK-UHFFFAOYSA-N	302.309	1.982	50	20	DDGD	
Cc1cc(C)n2nc(C(=O)NNc3ncccc3F)nc2n1	804217138	UVSILXXCBCCRQQ-UHFFFAOYSA-N	301.285	1.032	50	20	DDGD	
Cn1nnc2c(C(=O)NNc3cnc4ccccc4n3)ccnc21	801196199	XDPPPBDKSXJNLD-UHFFFAOYSA-N	320.316	1.063	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cc2ncccc2OC)c1	807211629	DUDGIICJOIBIBS-UHFFFAOYSA-N	315.329	1.563	50	20	DDGD	
CNC(=O)CCCNC(=O)NNc1ccccc1C(F)(F)F	299040174	ZZJYPXZIPIGGBH-UHFFFAOYSA-N	318.299	1.858	50	20	DDGD	
COCCN(C)NC(=O)c1ccnc(N2CCC[C@@H](C)C2)c1	297015492	HSDJRVTTZUFBJB-CYBMUJFWSA-N	306.410	1.541	50	20	DDGD	
C[C@@H]1Oc2ccccc2[C@H]1NC(=O)NNC(=O)[C@@H]1CCCO1	292010099	MNVJOFBUJUHRID-XDTLVQLUSA-N	305.334	1.018	50	20	DDGD	
CC1(C)CN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C[C@@H](CO)O1	817625471	LUFXYCYRAMVSHG-QLBUUCPGSA-N	318.348	1.731	50	20	DDGD	
COc1cccc(NCC(=O)NN=C(C)c2c[nH]nc2C)c1	814764541	URSVSXPSMASCHP-UHFFFAOYSA-N	301.350	1.679	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=C(CCOC)COC	812223821	NVBBJRGVMVOTFN-UHFFFAOYSA-N	308.378	1.783	50	20	DDGD	
CCOC(=O)C(CC)(CC)NS(=O)(=O)CBr	813767346	NRHYVVKQZRBWHN-UHFFFAOYSA-N	316.217	1.380	50	20	DDGD	
Cc1nn(C)c(N)c1C=NNC(=O)c1ccc(Cl)cc1F	814862749	SZQQSWLHWCDLCC-UHFFFAOYSA-N	309.732	1.867	50	20	DDGD	
NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1cccc(C(F)(F)F)c1	816916596	LIHOOIUQVKYRNG-UWVGGRQHSA-N	301.268	1.660	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cnn2c1OCCC2	815857046	MVKPLQIENSCCKO-UHFFFAOYSA-N	312.251	1.840	50	20	DDGD	
C[C@@H](CNS(=O)(=O)CBr)CC1(C)OCCO1	715976105	RKTMVAQAEBZOPN-MRVPVSSYSA-N	316.217	1.047	50	20	DDGD	
O=C(NNc1ncncc1F)c1cccc(N2CCCC2=O)c1	817082099	MMAVGGYMVHERLJ-UHFFFAOYSA-N	315.308	1.499	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CC2CCN(C)CC2)cc1	813576338	PZRBXKDFGZOCSH-UHFFFAOYSA-N	320.393	1.580	50	20	DDGD	
Cc1cc(Cl)cnc1NC(=O)C(=O)NNC(=O)C1CCCC1	812979382	QTZPRTRCHVRJFS-UHFFFAOYSA-N	324.768	1.320	50	20	DDGD	
COCC(=NNC(=O)NCC(=O)OC)c1ccc(Cl)cc1	814900881	MJGRPANDTKYSMF-UHFFFAOYSA-N	313.741	1.163	50	20	DDGD	
O=C(NNC(=O)c1cnc2[nH]c(O)nc2c1)Nc1ccccc1	813573975	SXLRRCPOLJQUIK-UHFFFAOYSA-N	312.289	1.130	50	20	DDGD	
CC1(C)COc2ccc(C(=O)NNC(=O)c3ccnnc3)cc21	817695632	ILGZICRYMIIFGM-UHFFFAOYSA-N	312.329	1.221	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@H](C)[C@H](C)COC)nc1C	812545646	XIAPVLCTWJQKPM-NXEZZACHSA-N	324.381	1.323	50	20	DDGD	
NC(=O)c1ccc(NC(=O)NNc2ncncc2F)cc1F	814631490	CWIXYHOTRRTMKY-UHFFFAOYSA-N	308.248	1.002	50	20	DDGD	
COc1ccc(C(=O)NNc2ncncc2F)c(C)c1OC	817082204	QBGLNQHLTWFOQG-UHFFFAOYSA-N	306.297	1.698	50	20	DDGD	
CO[C@H]1CCC[C@@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)C1	814375670	PJBBNUSXJZQAEP-HIFRSBDPSA-N	319.405	1.719	50	20	DDGD	
COCc1cc(NC(=O)NN(C)C2CC2)cc(C(=O)OC)c1	824354265	HIKWSEJJKGABOO-UHFFFAOYSA-N	307.350	1.750	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCCOC(=O)C1CC1	491008244	HPQNIEXBKLGVIN-UKTHLTGXSA-N	300.314	1.369	50	20	DDGD	
C[C@@H]1CCCCN1S(=O)(=O)NN(C)C(=O)OC(C)(C)C	496832289	YLIYBUOGYWVUMQ-SNVBAGLBSA-N	307.416	1.477	50	20	DDGD	
O=C(NNC(=S)NCCc1cccnc1)c1ccccc1	727692371	MGQLRYKUSUFNTI-UHFFFAOYSA-N	300.387	1.433	50	20	DDGD	
CCC[C@@H](CC(C)C)C(=O)NNC(=O)C(=O)Nc1ccccn1	826890884	XYPXRJJARVXEQF-LBPRGKRZSA-N	320.393	1.630	50	20	DDGD	
Cc1ccc(CN(C)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1C	827258727	DGRDRAZPEBKJQG-ZFWWWQNUSA-N	319.405	1.901	50	20	DDGD	
CN(NC(=O)CCC(=O)NC1CCCC1)C(=O)OC(C)(C)C	495929272	MRDSGLGMNIZOSO-UHFFFAOYSA-N	313.398	1.724	50	20	DDGD	
CC(C)CCO[C@H](C)C(=O)NNc1cccc(-c2nn[nH]n2)c1	824249780	UIVDHCKTOYEPRW-LLVKDONJSA-N	318.381	1.761	50	20	DDGD	
N#CC1(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCCCC1	826380024	KLPIVOIXVLKFDE-UHFFFAOYSA-N	311.349	1.784	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(C2CC2)nn1-c1ccccc1	823982998	IPOYWDPHWIHUBC-GFCCVEGCSA-N	314.389	1.707	50	20	DDGD	
C[C@H](CNCc1ccc(B(O)O)cc1F)Oc1cccc(F)c1	585027420	SKYFDKUWJFOAFA-LLVKDONJSA-N	321.132	1.202	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cnc(Cl)c(Br)c1	823922212	JGUHWUJATMCPLJ-ZCFIWIBFSA-N	322.590	1.455	50	20	DDGD	
CCOCC(=O)NN=C1CCC(NC(=O)OC(C)(C)C)CC1	491319672	LKMCGIVYRZRROA-UHFFFAOYSA-N	313.398	1.962	50	20	DDGD	
CCO[C@@H](C)C(=O)NNC(=S)Nc1ccc(OC)c(F)c1	822645253	UZUSWQSLEGLKJO-QMMMGPOBSA-N	315.370	1.577	50	20	DDGD	
O=C(NC[C@H]1CCC[C@@H]1C1CC1)c1cc(B(O)O)ccc1F	585001873	GKVIWKULEUZGCS-DGCLKSJQSA-N	305.158	1.062	50	20	DDGD	
C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)c2cccc(B(O)O)c2)C1	584988785	UETJHGGXICBIQR-RDTXWAMCSA-N	323.201	1.980	50	20	DDGD	
CC(C)[C@@H](NC(=O)O)C(=O)NNc1c(F)c(F)nc(F)c1F	736373937	HMENWWGNZUGTEX-ZCFIWIBFSA-N	324.234	1.373	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@]1(Cl)C[C@H]2CC[C@H]1O2	907783851	ZXJRCAXEMIECHC-GPCCPHFNSA-N	310.785	1.972	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H](NC(=O)O)C(C)C)c1ccccc1	736846888	JDWWOVYOYBHDIZ-OLZOCXBDSA-N	321.377	1.620	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)Cc2ccc(F)cc2)CCOC1	733353071	YEDYHJLEUWMPGP-HNNXBMFYSA-N	309.341	1.125	50	20	DDGD	
C[C@H](CN1CCCC1=O)NC(=O)[C@@]1(C)C[C@@H]1Br	906343307	GTOKJMJSCMDGFG-PTRXPTGYSA-N	303.200	1.287	50	20	DDGD	
CCN(CC)[C@H](CNCc1ccc(B(O)O)o1)c1ccccc1	585014013	GAJPUJAEXAADNA-MRXNPFEDSA-N	316.210	1.132	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccc(NC(=O)C2CC2)c1	494659424	PDSOBIOMCZWDIL-UHFFFAOYSA-N	306.322	1.818	50	20	DDGD	
COC(=O)N(C)NC(=O)CSc1nc(-c2ccccc2)no1	496195030	JOGHUDXFZJSXGO-UHFFFAOYSA-N	322.346	1.558	50	20	DDGD	
COC(=O)C(C)(C)CCNC(=O)[C@]1(C)C[C@@H]1Br	908125465	RJYUFYGSEJEGGK-QPUJVOFHSA-N	306.200	1.865	50	20	DDGD	
CSSCCNC(=O)NCc1nc(-c2ccccn2)n[nH]1	838586409	ADQNZCTWZGCSOF-UHFFFAOYSA-N	324.435	1.677	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC[C@H](C)C(C)(C)C)n1	734673640	IBDYSWNFAUEHQW-JTQLQIEISA-N	309.414	1.513	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccc(N2CCCNC2=O)c1	494362574	IGEHAKZOLNDCDJ-UHFFFAOYSA-N	321.337	1.389	50	20	DDGD	
N#Cc1ccc(C(=O)NN=Cc2cccc(OCC(=O)O)c2)cc1	733203730	XPQRCVLGXWATBB-UHFFFAOYSA-N	323.308	1.786	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21	905096623	QVKQFEALZUMKJK-AQUOVQTQSA-N	319.386	1.238	50	20	DDGD	
Cc1noc(C)c1NC(=O)NNC(=O)COc1ccccc1O	730904224	RYFLYNUONOKLNP-UHFFFAOYSA-N	320.305	1.229	50	20	DDGD	
CCCCOc1ccc(NC(=O)c2ccc(B(O)O)cc2)cn1	584977799	QYNOJPIPYKAUBF-UHFFFAOYSA-N	314.150	1.193	50	20	DDGD	
C[C@@]1(C(=O)Nc2cccc(B(O)O)c2)CCCc2ccccc21	584909368	CWTPVNAIKOSOEI-GOSISDBHSA-N	309.174	1.599	50	20	DDGD	
Cc1cc(C)c2c(c1)C(=NNC(=O)c1ncon1)CCCO2	901289666	KNXQMQKLHYNWPO-UHFFFAOYSA-N	300.318	1.993	50	20	DDGD	
C[C@]1(C(=O)Nc2cccc(B(O)O)c2)CCc2ccccc2C1	584911923	IWYSVSPFUCYPLZ-SFHVURJKSA-N	309.174	1.500	50	20	DDGD	
CC(C)(CC(=O)O)CC(=O)NNC(=O)c1c[nH]c2ccccc12	833454697	SVILNRNQXWDJGZ-UHFFFAOYSA-N	317.345	1.820	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)N[C@@H]1CCN(C2CC2)C1	734279530	UXAIEHZYSBYMEC-CQSZACIVSA-N	316.405	1.186	50	20	DDGD	
CON1CCC(=NNC(=O)C(=O)Nc2ccc(C)c(C)c2)CC1	834934927	KXKZSHVYDXDANO-UHFFFAOYSA-N	318.377	1.371	50	20	DDGD	
CC[C@](C)(CNC(=O)NNC(=O)Cc1ccccc1OC)OC	836578070	BYCFFNFEFYMSJT-MRXNPFEDSA-N	323.393	1.383	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CCCN2C2CC2)cc1F	837058904	OVCQWILUSNLCSA-CQSZACIVSA-N	321.352	1.682	50	20	DDGD	
CCOC(=O)[C@H](CC(=O)NNc1cc(C)cc(C)c1)C(C)=O	830786360	NWMZUJKLCCYWGO-CQSZACIVSA-N	306.362	1.905	50	20	DDGD	
Cc1nc(NC(=O)NNC(=O)c2cc3c(s2)CCC3)nn1C	836642289	UCPPRTDFASEGNT-UHFFFAOYSA-N	320.378	1.140	50	20	DDGD	
Cc1cnc(N2CC[C@@H](B(O)O)C2)nc1-c1ccccc1F	585079280	WRFUZVSIZZADMV-LLVKDONJSA-N	301.130	1.644	50	20	DDGD	
Cc1cccc(NNC(=O)c2ccc(S(=O)(=O)N(C)C)o2)c1	914857150	SXPDCLFZJAHQHU-UHFFFAOYSA-N	323.374	1.595	50	20	DDGD	
O=C(NCc1nnc2n1CCCC2)NNc1cc(F)ccc1F	914233424	ONIIMXKHGBJVSK-UHFFFAOYSA-N	322.319	1.719	50	20	DDGD	
Cc1cccc2c1O[C@H](C(=O)NNC(=O)NCC(F)(F)F)C2	831754498	QXDGDRYGJFSSMK-VIFPVBQESA-N	317.267	1.191	50	20	DDGD	
CC(=O)c1cn(CC(=O)OC[C@@H](C)CBr)nn1	838191657	WIGAVOBXSOFWSR-ZETCQYMHSA-N	304.144	1.055	50	20	DDGD	
CCC(C)(C)CC(=O)NNC(=O)c1nnc(O)c2ccccc12	744455794	NRYNPKUDTRUQOH-UHFFFAOYSA-N	316.361	1.923	50	20	DDGD	
O=C(NN=Cc1ccco1)c1csc(N2CCOCC2)n1	916337600	KWZLHDSIWWQRRD-UHFFFAOYSA-N	306.347	1.337	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccccc1OC(C)C	748253665	QJXAJTYYDPIJGP-ZDUSSCGKSA-N	308.378	1.975	50	20	DDGD	
O=C(CCCn1cncn1)NNC(=O)c1cc2ccccc2o1	749476728	CDXPUGYQXZCEOM-UHFFFAOYSA-N	313.317	1.266	50	20	DDGD	
COCC[C@H](C)CNC(=O)NNC(=O)c1c[nH]c2ccccc12	840402142	ILJLVBAPDCVUFX-NSHDSACASA-N	318.377	1.785	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cc(F)cc(OC)c2)cn1	748912199	PFXQJUWMRHRALA-UHFFFAOYSA-N	319.292	1.773	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C[C@H](OC)C(F)(F)F)cc1	844286997	BFUJAVCVLCYSDJ-NSHDSACASA-N	318.295	1.977	50	20	DDGD	
CCc1nc(C(=O)NNC(C)=O)nn1-c1ccccc1Cl	748344301	VXKWLRJYWVIDDO-UHFFFAOYSA-N	307.741	1.264	50	20	DDGD	
CC(=NNC(=O)Cn1nc(C)cc1C)c1ccc2c(c1)OCO2	916343233	RRDRJEJGWAJTBH-UHFFFAOYSA-N	314.345	1.769	50	20	DDGD	
CC(=NNC(=O)C1CCN(c2ncccn2)CC1)[C@@H]1CCOC1	741764286	DROLCKVPYAAGQT-CQSZACIVSA-N	317.393	1.222	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1csc(-c2ccoc2)n1	843650665	GBNHCMMUJNKULQ-PSASIEDQSA-N	321.358	1.589	50	20	DDGD	
COCC1CCC(NC(=O)NNC(=O)c2ccccc2)CC1	840444353	YTDLBFLVOVALKE-UHFFFAOYSA-N	305.378	1.836	50	20	DDGD	
O=C(NNc1ncncc1F)N[C@@H]1CCCN2CCCC[C@@H]12	848675273	VXANOKIPOKUREW-NEPJUHHUSA-N	308.361	1.259	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNC(=O)C(C)(C)C)ccc1Cl	847500926	KEJFYOKVJNPVRN-UHFFFAOYSA-N	311.769	1.780	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)CC[C@@H]1CCCN1	843436842	KSIUTPFEKYJSCK-NSHDSACASA-N	311.407	1.065	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)Cc2ccncc2)c1	747673508	WNNDVGFHKSGLDB-UHFFFAOYSA-N	310.382	1.623	50	20	DDGD	
Cc1c(Br)cccc1C(=O)NN(C)C[C@H](C)O	910161820	BGPNSBCPESJSDN-QMMMGPOBSA-N	301.184	1.715	50	20	DDGD	
Cc1ccc(C)c(-n2ncc(C(=O)NN(C)C[C@H](C)O)c2C)c1	910160937	QLTPBCWVISLSLT-ZDUSSCGKSA-N	316.405	1.755	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cccnc1SC(F)(F)F	910167537	HHBHSEPBONKLHY-ZETCQYMHSA-N	309.313	1.651	50	20	DDGD	
CC[C@H](C#N)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1	845388738	OCXJSXZUWNUGFI-SNVBAGLBSA-N	322.390	1.120	50	20	DDGD	
O=C(NN=C1CCCC[C@@H]1N1CCCCC1)C(=O)NC1CC1	748780258	HFSXBAOPEHOXSG-AWEZNQCLSA-N	306.410	1.166	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCCC2=O)c(Cl)c1C	913732360	SBZWHNCXYVNPOS-UHFFFAOYSA-N	323.780	1.340	50	20	DDGD	
C[C@H]1CC(=NNC(=O)COc2ccccc2[N+](=O)[O-])CCN1C	741457269	OWCGZHUPGOASST-NSHDSACASA-N	320.349	1.560	50	20	DDGD	
C#CCCOc1ccc(C=NNC(=O)[C@@H]2CCO[C@H]2C)cc1	842552802	CLWCLRRAZCLYCB-XJKSGUPXSA-N	300.358	1.964	50	20	DDGD	
Cc1ccc(C)c(S(=O)(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	842587106	WCVZJIBGCINSOL-NEPJUHHUSA-N	312.391	1.038	50	20	DDGD	
NC[C@H](NC(=O)NNC(=O)c1cccc2ccccc12)C1CC1	841945316	GGUHTPQJIYOAEL-HNNXBMFYSA-N	312.373	1.521	50	20	DDGD	
CCn1ncc(C=NNC(=O)[C@@H](C)Oc2ccccc2F)n1	841611778	AUQACAZRUQBXJH-SNVBAGLBSA-N	305.313	1.355	50	20	DDGD	
O=C(NNc1ncncc1F)[C@@H](C[C@@H]1CCCO1)C(F)(F)F	846212927	ABBJIIAATOBZEI-JGVFFNPUSA-N	322.262	1.806	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@@H](CCCN)c1ccccc1	841998555	VSLNJQROSDIKNI-ZDUSSCGKSA-N	306.410	1.843	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc(Br)cc1O	744315047	QIQICCQKZVKRSG-UHFFFAOYSA-N	301.140	1.572	50	20	DDGD	
CN(C)CCn1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)n1	847599851	UGDAOVNXJOIPKS-UHFFFAOYSA-N	318.337	1.110	50	20	DDGD	
C#CC[C@H](CCOC)NC(=O)NC[C@@]1(C)C[C@@H]1Br	858628480	HVPAHNGQBLOXIH-NTZNESFSSA-N	317.227	1.888	50	20	DDGD	
CCN1CCC[C@H](NC(=O)NNc2cccc(F)c2F)C1=O	925969605	HUQMRFYRGZMHLP-NSHDSACASA-N	312.320	1.602	50	20	DDGD	
CCOCC(=O)NN[C@@H](C(=O)OC)c1ccc(Cl)cc1	849320927	SKQBCWPJKKNGDR-GFCCVEGCSA-N	300.742	1.211	50	20	DDGD	
COc1ccc(F)cc1NC(=O)NNC(=O)c1ccccn1	757855213	NCDLBCFFPDUPNI-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
CC(C)C[C@H](CN)NC(=O)NC[C@@]1(C)C[C@H]1Br	857103851	NUBAMJDIGYIKRP-CKYFFXLPSA-N	306.248	1.833	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1O)Nc1cccnn1	757660276	APEAGBOKAWPKJL-UHFFFAOYSA-N	307.697	1.302	50	20	DDGD	
CCC[C@H](O)C(=O)NNC(=O)[C@H](C)Oc1ccc(OCC)cc1	929295883	JNSDIJMJXUVOHA-FZMZJTMJSA-N	324.377	1.161	50	20	DDGD	
CCc1nnc(NC(=O)NNC(=O)c2ccccc2C)s1	755404633	GYXDNYOXNLHJBL-UHFFFAOYSA-N	305.363	1.875	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccc3nncn3c2)C[C@H]1Br	857399935	GWMUBVULULIZSL-SKDRFNHKSA-N	309.167	1.633	50	20	DDGD	
CS[C@H]1CC[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	852152306	NNLNZFQBNGIBHW-BDAKNGLRSA-N	312.370	1.449	50	20	DDGD	
O=C(Cc1c[nH]c2ncccc12)NNC(=O)CC(F)(F)F	756986604	OZUZHVGMBZWKJE-UHFFFAOYSA-N	300.240	1.205	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)N[C@H]1CCc2c[nH]nc2C1	852202553	HFNVOINJHHAWGC-JTQLQIEISA-N	306.757	1.642	50	20	DDGD	
O=C(CCCNC(=O)C1CC1)NNc1ccc([N+](=O)[O-])cc1F	855621649	ZSRGGFIQAIYEFP-UHFFFAOYSA-N	324.312	1.483	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(OCCN(C)C)cc1	920830260	UNMMGYMOHLKPOU-UHFFFAOYSA-N	322.409	1.297	50	20	DDGD	
CN(C/C=C/C(=O)NNc1ccc(C#N)cn1)CC(F)(F)F	924811793	BCHBXSMRJHWKAH-NSCUHMNNSA-N	313.283	1.447	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)CCCCSC	854282081	QKLNFUMBPQAZSJ-UHFFFAOYSA-N	307.485	1.394	50	20	DDGD	
COc1cc(C=NNC(=O)c2cnccn2)c2c(c1)C[C@@H](C)O2	755630840	AEPGDADRCGQSFG-SNVBAGLBSA-N	312.329	1.573	50	20	DDGD	
C[C@H](CNC(=O)NNc1ncc(Cl)cn1)CN1CCCC1	856843801	QUKAJMLMWBRZGK-SNVBAGLBSA-N	312.805	1.488	50	20	DDGD	
CCCN(C(=O)NC[C@]1(C)C[C@@H]1Br)[C@H]1CCNC1	857105603	NVQGSRAMRWRXOV-GVXVVHGQSA-N	318.259	1.943	50	20	DDGD	
CN(C)C(=O)c1ccc(C=NNC(=O)c2ccc(Cl)nc2)[nH]1	752163681	BTHWEXRVJTZYQP-UHFFFAOYSA-N	319.752	1.529	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(C)ccc1Br	757787180	QFLUEUZMCQVCBT-UHFFFAOYSA-N	316.155	1.557	50	20	DDGD	
COCCCOc1cccc(C(=O)NNc2cccnn2)c1C	935342999	MLYDDIDTZLAZSL-UHFFFAOYSA-N	316.361	1.957	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)O1	756982233	CDRCQARYLLCNAF-ZIAGYGMSSA-N	320.393	1.863	50	20	DDGD	
C=C(CBr)CN1CCC2(CC1)C[C@H](O)CCO2	933057512	PHXAMAXIOBXMEP-GFCCVEGCSA-N	304.228	1.943	50	20	DDGD	
CCCC[C@@H](NC(N)=O)C(=O)NNC(=O)c1cc(C)cs1	862478334	WSLIJGKGQIZWGU-SECBINFHSA-N	312.395	1.045	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H](C)c2ccc(Cl)cc2)n[nH]1	869018186	HGDSXESANZZYEG-JTQLQIEISA-N	320.780	1.865	50	20	DDGD	
C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccc(B(O)O)cc1	867296350	KRTSRKKMQWIUFF-GXSJLCMTSA-N	315.100	1.169	50	20	DDGD	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1cccc(F)n1	763306807	XIOKNVZXQFLVAL-UHFFFAOYSA-N	323.711	1.958	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)C(F)=C1CCCC1	763045113	SLFCYEBVEFRCKB-UHFFFAOYSA-N	308.309	1.716	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CCc2ccccc2C)n[nH]1	869012310	MOYXNULCHAHJQZ-UHFFFAOYSA-N	300.362	1.349	50	20	DDGD	
C=CCN1CC[C@@H](N(C)S(=O)(=O)CC(C)(C)CCl)C1=O	867225050	JJWMQBPGFKRHBW-LLVKDONJSA-N	322.858	1.300	50	20	DDGD	
CCOCCC1(CNC(=O)NNC(=O)COCC)CCCC1	761772235	XKHSGEUOMJPFBR-UHFFFAOYSA-N	315.414	1.340	50	20	DDGD	
COc1cc(CN2CC[C@H](B(O)O)C2)ccc1OC(=O)C1CC1	864233814	MRLRDRFWHDTDGH-ZDUSSCGKSA-N	319.166	1.059	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)c2cccc(C)n2)c(C2CC2)n1	867924687	WCCJMKGCEMGDRA-UHFFFAOYSA-N	313.361	1.559	50	20	DDGD	
CCCc1noc(CCCC(=O)NN[C@H](C)C(F)(F)F)n1	862310453	XVBHDNLEIPARBD-MRVPVSSYSA-N	308.304	1.916	50	20	DDGD	
Cc1ccc2nc(C(=O)NNC(=S)NCC3CCC3)cn2c1	862150339	OBHDGUMMCVACKI-UHFFFAOYSA-N	317.418	1.552	50	20	DDGD	
Cc1oc(C(C)(C)C)cc1C(=O)NNC(=O)N1CCOCC1	931113573	GXIAXZXMAFYLFN-UHFFFAOYSA-N	309.366	1.572	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H](O)[C@H](C)c1ccccc1F	865015180	WGSSRDRGJXLCQC-ZWNOBZJWSA-N	311.357	1.421	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H]2CCCc3ccccc32)n[nH]1	869012902	GWTCRANCFBVFQO-OAHLLOKOSA-N	312.373	1.528	50	20	DDGD	
Cc1ccc(NNC(=O)NCCSCC(F)(F)F)nn1	769731629	CCISNHJAKYZDRB-UHFFFAOYSA-N	309.317	1.707	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCc1nccc(N)n1	768385978	WRTTYFOJOVOKKM-SECBINFHSA-N	301.188	1.485	50	20	DDGD	
CC(=O)NNC(=O)c1nc(Br)sc1C1CC1	763899346	JQSZAANADCMPEG-UHFFFAOYSA-N	304.169	1.564	50	20	DDGD	
CC(C)N1CCC(CCNC(=O)NNc2cccnn2)CC1	868945139	XFJGJHOLKPCJCB-UHFFFAOYSA-N	306.414	1.613	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@@H](C)c1nncn1C	1116888142	USOJMIHCHXDWIU-SECBINFHSA-N	324.816	1.401	50	20	DDGD	
COc1cc(Cl)c(NCc2cccc(B(O)O)c2)cc1C	864038701	ZMIKDXGLTOHDTK-UHFFFAOYSA-N	305.570	1.949	50	20	DDGD	
CC(C)(C)OCc1cc(C(=O)NNC(=O)C2CCCC2)no1	769855574	SAKJAYLRBOXODJ-UHFFFAOYSA-N	309.366	1.941	50	20	DDGD	
COC(=O)Cc1cccc(NC(=O)NCC(Cl)Cl)n1	879354688	LFDZJNXFVWJNLM-UHFFFAOYSA-N	306.149	1.722	50	20	DDGD	
CCc1cccc(NC(=O)C(=O)NNc2nccnc2OC)c1	766268987	CNEFPUNWRVHABW-UHFFFAOYSA-N	315.333	1.129	50	20	DDGD	
COCCOCC(=O)NN=C1CCOc2cc(C)cc(C)c21	872402340	CFDHDTRRTRLMDA-UHFFFAOYSA-N	306.362	1.569	50	20	DDGD	
Cc1cccc(NNC(=O)NCc2c(C3CC3)cnn2C)n1	875740428	PUZCTTGRODQPKJ-UHFFFAOYSA-N	300.366	1.827	50	20	DDGD	
COC[C@@H](CNC(=O)NNc1cccc(F)c1Cl)OC	875475069	LUIYQOKYBNPARQ-MRVPVSSYSA-N	305.737	1.767	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1cnn(C(C)(C)C)c1C	872401207	KUYMPFGCDZPSDJ-UHFFFAOYSA-N	310.398	1.450	50	20	DDGD	
O=C(NNC(=O)c1c(O)cccc1O)c1cc2c(s1)CCC2	770378354	DRPJXYQQUFGSMK-UHFFFAOYSA-N	318.354	1.723	50	20	DDGD	
C[C@H](CC(N)=O)C(=O)NNC(=S)Nc1cccc(Cl)c1	873787251	YDKGRTPVVKWZDO-SSDOTTSWSA-N	314.798	1.169	50	20	DDGD	
O=C(COc1ccc2c(c1)CCC(=O)N2)NNc1ccccn1	777471609	SGWMWCMPUOIYOE-UHFFFAOYSA-N	312.329	1.488	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(SC)o1	772115204	MKHFBWNOCFXTNW-ZETCQYMHSA-N	300.336	1.104	50	20	DDGD	
Cc1nc(CNC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)n[nH]1	889704314	KZSKWVJLADXZOF-HOTUBEGUSA-N	313.199	1.683	50	20	DDGD	
NC(=O)[C@H](F)C1CCN(C(=O)C2CCC(Cl)CC2)CC1	1123841410	YIFLQAKPGLLZRA-HTAVTVPLSA-N	304.793	1.846	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(OCC(F)F)ccn1	777976898	SZBVKGVMJJCIDE-UHFFFAOYSA-N	302.281	1.080	50	20	DDGD	
C[C@@H](Cc1ccc(O)cc1)NC(=O)NNC(=O)C1CCOCC1	883187235	JQCGJDLLCNXRFM-NSHDSACASA-N	321.377	1.080	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](Br)C(C)(C)C	887147131	ZBLKUJBGBVBVPL-JTQLQIEISA-N	303.200	1.747	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CC[C@@H]2CO)c1C	889132851	RLYKWFVCUBEXMO-QOBZYLRHSA-N	317.389	1.252	50	20	DDGD	
C[C@H]1CC(=NNC(=O)C(C)(C)O)CN(Cc2ccccc2)C1	785457913	JOOWKBDFMURMGW-ZDUSSCGKSA-N	303.406	1.772	50	20	DDGD	
COC(=O)c1cc(NC(=O)NN=c2cc[nH]cc2)ccc1F	782021254	GZEZFZZHJCOPKL-UHFFFAOYSA-N	304.281	1.578	50	20	DDGD	
Cn1cnc(-c2ccc(C(=O)NNc3ncc(F)cn3)cc2)n1	780676429	OEKALDICJKDMRG-UHFFFAOYSA-N	313.296	1.168	50	20	DDGD	
Cc1nc(C)c(NC(=O)C(=O)NNc2cccc(F)c2)s1	783037712	RMSGCCHRZGKRIB-UHFFFAOYSA-N	308.338	1.981	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc(OC2COC2)cc1	782093916	BLQYVLDIVYAEQO-UHFFFAOYSA-N	307.350	1.663	50	20	DDGD	
COC(=O)[C@@H](NCc1ccc(OCCCCl)cc1)[C@@H](C)O	895743902	PBVQPWVNUSUHRI-RISCZKNCSA-N	315.797	1.706	50	20	DDGD	
O=C(COc1cccc([N+](=O)[O-])c1)NNc1ncncc1Cl	781820257	PQPULWVCRKRJAS-UHFFFAOYSA-N	323.696	1.560	50	20	DDGD	
CCCC(=O)Nc1ccc(O)c(C(C)=NNC(=O)C(C)(C)O)c1	785458065	MYRPNLIQEDPPSX-UHFFFAOYSA-N	321.377	1.742	50	20	DDGD	
CCn1cnnc1-c1ccccc1NC(=O)NNC(=O)C(C)C	782575113	TVIZIWPAKGGISH-UHFFFAOYSA-N	316.365	1.774	50	20	DDGD	
CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)COc1cc(C)cc(C)c1	899939809	XAFFKWDQRZMYNZ-TZMCWYRMSA-N	308.378	1.237	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cccc(-c2nc[nH]n2)c1	899996433	LAUZTGINRWABNG-UHFFFAOYSA-N	318.406	1.379	50	20	DDGD	
CN(C)C1(CNC(=O)NNC(=O)CCc2ccccc2)CCC1	782634838	SLJMZIQYJGPBHS-UHFFFAOYSA-N	318.421	1.434	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCSCC[C@H]1C	794570990	UKSDGDLTWVLUGX-VXGBXAGGSA-N	301.456	1.396	50	20	DDGD	
CCC[C@@]1(NCC(=O)NNC(=O)c2cccs2)CCOC1	796442458	GITLWOAVTDVIPO-CQSZACIVSA-N	311.407	1.058	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCC2(C#N)CC2)cc1C	797581233	QKWZFLBZQLKOFY-UHFFFAOYSA-N	316.361	1.316	50	20	DDGD	
COCCCNC(=O)NN=C1CCc2cc(OC)c(OC)cc21	794499986	TVALKIAFNYUZDX-UHFFFAOYSA-N	321.377	1.690	50	20	DDGD	
O=C(Cc1ccn(CC(F)(F)F)n1)NNC(=O)C1CCCC1	892483146	YAKMBWSRGDCXDH-UHFFFAOYSA-N	318.299	1.326	50	20	DDGD	
O=C(COC(=O)c1ccco1)NNC(=O)c1cccc(Cl)c1	797703850	YRWRSADUNOUFQS-UHFFFAOYSA-N	322.704	1.551	50	20	DDGD	
COCc1cc(C=NNC(=O)CNc2ccccc2F)no1	794864513	CWSWZMOEFLWPAA-UHFFFAOYSA-N	306.297	1.522	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1cn2c(n1)CCCC2	799832040	XBCVZONJPCSDLQ-UHFFFAOYSA-N	313.361	1.093	50	20	DDGD	
COc1ccc2cc(C(=O)NNc3nc4ccccn4n3)[nH]c2c1	791258533	QSDMAKDCYCHPRI-UHFFFAOYSA-N	322.328	1.976	50	20	DDGD	
C[C@H]1COC(=O)C1=NNC(=O)COc1ccc2ccccc2c1	794886006	CYWPKWZZMMXKLS-NSHDSACASA-N	312.325	1.884	50	20	DDGD	
N#Cc1cccc(-n2ccc(C(=O)NNC(=O)C3CCCC3)n2)c1	798390622	SWRDBPIOWFLDJM-UHFFFAOYSA-N	323.356	1.695	50	20	DDGD	
N#CCOc1cccc(/C=C(/C#N)S(=O)(=O)NC2CC2)c1	794945327	ZSUJTRLISFTZRW-ZROIWOOFSA-N	303.343	1.535	50	20	DDGD	
O=C(NNC(=O)c1cc(C2CC2)no1)c1ccc(Cl)nc1	799411707	RFMMTBAHILSAHD-UHFFFAOYSA-N	306.709	1.675	50	20	DDGD	
CC(C)CCSCC(=O)NNC(=O)NCC(F)(F)F	798315998	SBHTXBSDEJJOHE-UHFFFAOYSA-N	301.334	1.658	50	20	DDGD	
O=C(CCl)Nc1cc(N2CCCS2(=O)=O)ccc1O	1319921739	LHNQHFBVOATXOV-UHFFFAOYSA-N	304.755	1.109	50	20	DDGD	
Cc1ccn2cc(C(=O)NNc3nncc(N)c3Cl)nc2c1	1319206832	BOFXCXBUWDEXHD-UHFFFAOYSA-N	317.740	1.425	50	20	DDGD	
N#Cc1ccncc1C(=O)NNc1nc(-c2cccnc2)no1	1327665634	URUQONAKBMBBLO-UHFFFAOYSA-N	307.273	1.155	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@H]1CCO[C@]2(CCSC2)C1	1324087246	KTVGCFUYVGUWSD-IINYFYTJSA-N	324.406	1.013	50	20	DDGD	
CC1CCC(N2C[C@H](C(=O)NNc3ccncn3)CC2=O)CC1	1324543288	KRCDUOQUDHPIMF-OTTFEQOBSA-N	317.393	1.347	50	20	DDGD	
Nc1cnnc(NNC(=O)NCCCC(F)(F)F)c1Cl	1321179150	XQXXQYYNRQGKLQ-UHFFFAOYSA-N	312.683	1.681	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=Cc1c[nH]c2ccc([N+](=O)[O-])cc12	1326863982	OQSVATQGMKKWEV-UHFFFAOYSA-O	324.320	1.514	50	20	DDGD	
COc1ccc2c(c1F)CCC2=NNC(=O)C[n+]1ccccc1	1329439780	NAJVHLQUMQPBDB-UHFFFAOYSA-O	314.340	1.589	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc(-n2cccn2)c(F)c1	1338865034	XJDUKPDHBUADSX-UHFFFAOYSA-N	302.309	1.573	50	20	DDGD	
N#CC1=CCN(C(=O)C2CCN(C(=O)c3cccnc3)CC2)CC1	1417683235	HZXQZAOMNVPKGV-UHFFFAOYSA-N	324.384	1.616	50	20	DDGD	
C[C@@H]1C[C@@H](CNC(=O)NNc2nncc(N)c2Cl)[C@@H](C)O1	1331384624	ALWSGVZCITZAEV-PRJMDXOYSA-N	314.777	1.152	50	20	DDGD	
O=C(NCc1cnn(CC2CCC2)c1)NNC(=O)C1CCCC1	1343118971	ZWDAMSLDDRKKTR-UHFFFAOYSA-N	319.409	1.704	50	20	DDGD	
CO[C@H]1CCC[C@@H]1C(=O)NNC(=O)c1c(C)nc2ccccn12	1346405645	KSZPIFMVDWCRIS-RYUDHWBXSA-N	316.361	1.219	50	20	DDGD	
CS(=O)(=O)CC1CCC(=NNC(=O)C2CCOCC2)CC1	1353089559	IIHHPFQBQTTXAC-UHFFFAOYSA-N	316.423	1.120	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ncc(Cl)cc1Cl	1514567127	WPSHHERPLSCLLM-UHFFFAOYSA-N	318.160	1.576	50	20	DDGD	
O=C(/C=C/c1nccs1)NNC(=O)COc1ccccc1O	1520846552	GGPJFCLMAIFDNO-AATRIKPKSA-N	319.342	1.088	50	20	DDGD	
Cc1cc(Br)cnc1NNC(=O)[C@@H](C)CC(=O)O	1600073754	SOEPOUBSKUNRQE-ZETCQYMHSA-N	316.155	1.706	50	20	DDGD	
O=C(NNC(=O)[C@H](C(=O)O)C1CCCC1)c1ccccc1O	1605814499	DBNXLLPIEQQVSG-GFCCVEGCSA-N	306.318	1.044	50	20	DDGD	
O=C(CCOCC(F)F)NNc1ccc(C(=O)O)c(F)c1	1608310765	AUGODVSAYWZBBP-UHFFFAOYSA-N	306.240	1.639	50	20	DDGD	
Cc1c[nH]ccc1=NNC(=O)Nc1cccc(CC(=O)O)c1	1605376697	ZTFCWUOYCLOYDS-UHFFFAOYSA-N	300.318	1.588	50	20	DDGD	
Cc1c(NNC(=O)CCn2ccccc2=O)cccc1C(=O)O	1600052902	WPLCKIMVVWAWRA-UHFFFAOYSA-N	315.329	1.388	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)Nc1ccccc1CC(=O)O	1603018613	VSRFXNRCRNIEJI-UHFFFAOYSA-N	307.350	1.903	50	20	DDGD	
O=C(CCn1cc(Cl)cn1)NNc1cccc(C(=O)O)c1	1608324018	IGTBVSKRFDXUQJ-UHFFFAOYSA-N	308.725	1.768	50	20	DDGD	
Cn1ccc(CNC(=O)NNc2ccc(C(=O)O)c(F)c2)n1	1600976488	RFSBDISQCBWHPB-UHFFFAOYSA-N	307.285	1.084	50	20	DDGD	
O=C(NN=Cc1ccc2c(c1)COC2)[C@H]1CN2CCC[C@H]2CO1	1549319088	SJYUUUODGOPKCQ-JKSUJKDBSA-N	315.373	1.030	50	20	DDGD	
CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)Br	1801958940	BNQMXBGDISIHLA-MMWGEVLESA-N	317.227	1.818	50	20	DDGD	
Cn1ccc(C=NNC(=O)[C@H]2CCCO[C@H]2c2ccnn2C)c1	1549322618	ZXQRFUMEHXMBMP-DZGCQCFKSA-N	315.377	1.377	50	20	DDGD	
COCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(Cl)Cl	1802340543	IWMYVCJFNWFIFI-ILWJIGKKSA-N	323.220	1.465	50	20	DDGD	
CC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)OC	1802389234	KFGRMNVKMAZFNI-WJTVCTBASA-N	316.829	1.677	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H]1C[C@H](C)CCN1)c1ccccc1	1576938320	HJXYHOCFPWZTLS-VHDGCEQUSA-N	303.406	1.716	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)o1	1588974064	BCWGLIVFGXESCC-DTWKUNHWSA-N	306.322	1.614	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@@H]1F	1847868359	ARYPIZAOAYASKJ-VLJOUNFMSA-N	316.804	1.954	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cccnc1C1CC1	1593165389	GCLVCGSEYQFMGG-UHFFFAOYSA-N	321.344	1.896	50	20	DDGD	
O=C(NN=Cc1c(F)cc(-c2nn[nH]n2)cc1F)C1CCCC1	1593155615	UTYVCRUTPLFXJZ-UHFFFAOYSA-N	320.303	1.785	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NN=C1CCc2cccc(C(=O)O)c21	1776102042	FGVPGBVZRGLEJG-AAEUAGOBSA-N	302.330	1.576	50	20	DDGD	
CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](Cl)CC)[C@H]2C1	1789861365	SNGUKATVGQRJPO-RVMXOQNASA-N	316.829	1.394	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=S)NC(C)(C)C	14895343	ZGABSORRWFVZKP-SECBINFHSA-N	313.398	1.887	50	20	DDGD	
Cc1nn(C)c(C)c1OCC(=O)NNC(=O)CC1CCCC1	161343907	KWSNLMMQODLGSL-UHFFFAOYSA-N	308.382	1.143	50	20	DDGD	
CSc1cc(C(=O)NNC(=O)c2cc(C)n[nH]2)ccc1F	152353824	LEJSBJKGIPHZGF-UHFFFAOYSA-N	308.338	1.654	50	20	DDGD	
CCN(CC)C(=O)[C@@H](NNC(=O)c1ccc[nH]1)c1ccccc1	153842017	FSVAIZWTDXITRG-HNNXBMFYSA-N	314.389	1.859	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@H](C)N2CCC(C)CC2)nc1	157510409	OAJVWGHLGOOKJO-ZDUSSCGKSA-N	321.425	1.837	50	20	DDGD	
COCCC1(C(=O)NNC(=O)COc2cccc(C)c2)CCC1	157139211	BTFQFKGZOWABLD-UHFFFAOYSA-N	320.389	1.728	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCCn2cccc2)cc1	155809183	MGGVMLKCKVAREE-UHFFFAOYSA-N	315.373	1.803	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	155351591	AIZDHMQNTFPWBW-CYBMUJFWSA-N	322.365	1.921	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cnc(C)cn2)n1	155871221	LIRDXGRYLGJCNS-UHFFFAOYSA-N	301.354	1.178	50	20	DDGD	
CCC(CC)CC(=O)NNc1nccc(N2CCOCC2)n1	155487031	VNNDZPIBDZBDFS-UHFFFAOYSA-N	307.398	1.583	50	20	DDGD	
CS(=O)(=O)N1CC[C@H](NC(=O)c2cccc(CCl)c2)C1	400133692	RZMBKCYCCJAQRJ-LBPRGKRZSA-N	316.810	1.189	50	20	DDGD	
COc1ccc(CN(C)S(=O)(=O)CBr)cn1	782474474	PECFWOOYRJACNV-UHFFFAOYSA-N	309.185	1.204	50	20	DDGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NC[C@@H](C)O)c1C	179636370	RJYNGYYAMGRWCM-COLYAIGISA-N	319.405	1.716	50	20	DDGD	
O=C(CCCOCc1ccccc1)NNC(=O)[C@@H]1CCCO1	50578299	UNVPFOXFACNHJN-AWEZNQCLSA-N	306.362	1.310	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)C(=O)N1CCCC1)c1cccc(F)c1	116184878	GKUDQXOWXDINAM-LLVKDONJSA-N	321.352	1.089	50	20	DDGD	
Cc1cc(OCC(=O)NNC(=O)Cc2cc[nH]n2)ccc1Cl	106452095	RJZQGYXCIXLUHQ-UHFFFAOYSA-N	322.752	1.140	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCCCCC#N	170886130	ZZVDTPBBPUNYSS-UHFFFAOYSA-N	304.350	1.262	50	20	DDGD	
Cc1ccc(NNC(=O)NCCCCCCCN(C)C)nn1	106335689	YTTYXMNEGLWYHU-UHFFFAOYSA-N	308.430	1.923	50	20	DDGD	
COc1ccccc1C(=O)NN[C@H](C(N)=O)c1ccc(F)cc1	67452673	KKYDHIFPOZXDMH-AWEZNQCLSA-N	317.320	1.295	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1csc(-c2cccs2)n1	113428121	IOLVYKMWLCNGJM-UHFFFAOYSA-N	310.404	1.194	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNc1ccccc1)N1CCN(C)CC1	114921359	DDZJJXUAGCNPSD-INIZCTEOSA-N	319.453	1.585	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NCC(=O)N2CCCC2)nn1	118464126	QBUPHUIEJGUTOC-UHFFFAOYSA-N	320.397	1.023	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)NCc2ccco2)c1	65177524	QIVWKTAERVLQBY-LBPRGKRZSA-N	317.345	1.886	50	20	DDGD	
COc1ccc(OC)c(CNS(=O)(=O)CBr)c1	126679645	FVSCLNPWGDQSLS-UHFFFAOYSA-N	324.196	1.476	50	20	DDGD	
CC(C)c1noc(CCC(=O)NNC(=O)c2ccccc2O)n1	71891747	QNAWRIOCAGBPAH-UHFFFAOYSA-N	318.333	1.292	50	20	DDGD	
Cc1cnc(SCC(=O)NNC(=O)c2cccs2)nc1	119338419	UCWFRGIQNLJBDU-UHFFFAOYSA-N	308.388	1.400	50	20	DDGD	
Cc1cc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)oc1C	119755987	YKGVIVPVNQVNDH-LLVKDONJSA-N	300.380	1.002	50	20	DDGD	
CCNC(=O)NNC(=O)c1occc1COc1ccccc1	65190403	XMOAPTXBRSVGAN-UHFFFAOYSA-N	303.318	1.823	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc(-n2nc(C)cc2C)c(F)c1	112195055	QOPHEYZWPCPRKC-UHFFFAOYSA-N	305.313	1.202	50	20	DDGD	
C#Cc1cccc(NC(=O)CN(C)C(=O)/C(C#N)=C/OCC)c1	178958396	SGGYMGXCWDYKMO-WYMLVPIESA-N	311.341	1.509	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Nc2ccc3scnc3c2)cn1	184728707	VWGQHQCZPLWJJA-UHFFFAOYSA-N	316.346	1.496	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)n1	181489862	LVUDLEXBETWZFK-HONMWMINSA-N	318.377	1.674	50	20	DDGD	
COCCCNC(=O)NNC(=O)/C=C(/C)c1ccc(F)cc1	67237012	YPTSJQDESTYQEW-KHPPLWFESA-N	309.341	1.596	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc2cnn(C(C)C)c2c1	184669848	PAWAJXUMSHHLOR-UHFFFAOYSA-N	319.365	1.806	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccc(F)cc2C)cn1	189183028	FMEGONSVIWTFHK-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
COCCCCC(=O)NNc1nnc(-c2ccccn2)s1	188186296	WVLUYWVJKHZXNK-UHFFFAOYSA-N	307.379	1.860	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C1C2CC3CC(C2)CC1C3	120684523	BOKRZRYNCUSSEE-UHFFFAOYSA-N	301.390	1.858	50	20	DDGD	
CC(C)c1ccc(NC(=O)NNC(=O)Cc2cc[nH]n2)cc1	182724619	ZBFMMQCDQSNCAW-UHFFFAOYSA-N	301.350	1.929	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)N[C@@H]1CCO[C@H](C2CC2)C1	189997791	ZXCPFBCMKUSNNP-NEPJUHHUSA-N	316.365	1.313	50	20	DDGD	
CCOCCC1(C(=O)NNc2nc(C)cc(OC)n2)CCC1	127290378	YIXNMPKNGKLUPH-UHFFFAOYSA-N	308.382	1.834	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)c1ccc(F)cn1	184148613	BEGGCRNQRBVPPY-UHFFFAOYSA-N	320.349	1.861	50	20	DDGD	
C#Cc1cccc(NC(=O)C(=O)NNc2ccc(OC)cn2)c1	124288150	RRPIAAYYGBCRIN-UHFFFAOYSA-N	310.313	1.153	50	20	DDGD	
CCn1nccc1/C=C/C(=O)NNc1nnc(C2CC2)s1	184477619	AFRUFICADIIOEW-AATRIKPKSA-N	304.379	1.788	50	20	DDGD	
CC[C@H](C)[C@H](C(=O)NNC(=O)C(=O)NC(C)C)c1ccccc1	72937694	DEFYXEBQUZMKSW-JSGCOSHPSA-N	319.405	1.488	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1CCC(=O)C[C@@H]1C	138245158	RCVAZKSXHIZWNB-SMDDNHRTSA-N	318.373	1.390	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNc1nc(C)cc(C)n1	47817050	BKLAPWTXHLVBFK-LBPRGKRZSA-N	305.382	1.328	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2c(F)cc(C#N)cc2F)o1	132452994	AHGHAYSWZBIRQM-UHFFFAOYSA-N	305.240	1.813	50	20	DDGD	
CC(C)Cc1cc(C(=O)NNC(=O)c2ccncc2)cc(O)n1	132479286	VKFSZPKODDBERH-UHFFFAOYSA-N	314.345	1.456	50	20	DDGD	
COc1nccnc1NNC(=O)CCc1cccc([N+](=O)[O-])c1	131964024	ZPVKZNYLORSRRF-UHFFFAOYSA-N	317.305	1.469	50	20	DDGD	
Cc1nn(C)cc1C(=O)NNc1ccc(-c2ccccc2)nn1	85653034	KNVUPSLIHAORRN-UHFFFAOYSA-N	308.345	1.942	50	20	DDGD	
CCc1nn(C)c(CC)c1CC(=O)NNC(=O)CC(C)(C)C	190751109	DPNKDJVQFVMXEK-UHFFFAOYSA-N	308.426	1.671	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@H]1CCC(=O)C[C@H]1C	138244854	RCVAZKSXHIZWNB-RISCZKNCSA-N	318.373	1.390	50	20	DDGD	
C[C@@H]1CCC[C@@H](NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)CC1	190941202	AMXBMWCDYNMAGG-YRGRVCCFSA-N	317.455	1.336	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)CCOCC(F)F	191148720	QTTZDLYHHMBGEW-UHFFFAOYSA-N	314.332	1.829	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cc2cc(F)ccc2o1	81025576	UDEGEQWXXWBSFT-UHFFFAOYSA-N	313.288	1.971	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ncc(C(C)C)s1	190718142	SHMJYHZENFRHDN-QMMMGPOBSA-N	312.395	1.399	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)[C@@H]1CCCO1)Cc1cccc(F)c1	81256700	SIQIKKKISVCBGN-RISCZKNCSA-N	308.353	1.721	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Nc2ncccc2C)c1O	145853514	SDIZBAWORJKVPB-UHFFFAOYSA-N	316.317	1.571	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)c1ccccc1O)c1ccccc1	141386654	CNSKWBKLHNPWQV-HNNXBMFYSA-N	314.341	1.931	50	20	DDGD	
CCCOc1ccc(OCC(=O)NNC(=O)c2ccc[nH]2)cc1	96950831	MTHZIVILWGPHET-UHFFFAOYSA-N	317.345	1.644	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CCCCN1C(=O)c1cccs1	97137124	VBDLYKWMJPNMGB-NSHDSACASA-N	323.418	1.546	50	20	DDGD	
Cc1c(C(=O)NNc2ccc(OC(F)(F)F)cc2)nnn1C	268660423	LKCZXQFOHFCWFJ-UHFFFAOYSA-N	315.255	1.779	50	20	DDGD	
CC(C)OCCCN(C)CC(=O)NNC(=O)c1ccccc1	265851789	IGOYYMRYXBBARC-UHFFFAOYSA-N	307.394	1.195	50	20	DDGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC[C@H](CS(N)(=O)=O)C1	267490718	KBCGBJJLSMBLRY-QNKXHIPISA-N	323.393	1.691	50	20	DDGD	
COc1ccc(NC=C(C#N)C#N)cc1-n1nnnc1C1CC1	267854021	LYEIDQYWJPCKSA-UHFFFAOYSA-N	307.317	1.891	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c1	265188781	DTWYEEWVGJAZLO-MCIONIFRSA-N	319.361	1.024	50	20	DDGD	
CO[C@H](C)CCNC(=O)NNC(=O)c1cc2ccccc2o1	267399676	YEMYLVYXBRUOES-SNVBAGLBSA-N	305.334	1.802	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC(CN2CCOCC2)CC1	269454094	DNYLKLMAKKSABR-FYWRMAATSA-N	307.394	1.001	50	20	DDGD	
CC1(C)C(C(=O)NNC(=O)CNC(=O)c2cccs2)C1(C)C	266842023	OUWCYPLPSCMCJS-UHFFFAOYSA-N	323.418	1.308	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)c2ccc(C)o2)CCOCC1	268034276	MVTXSKLWPYKZSP-UHFFFAOYSA-N	309.366	1.739	50	20	DDGD	
NC(=O)NC1(C(=O)NNc2cc(Cl)cc(Cl)c2)CC1	276914140	VFZNOWOJRRRIKC-UHFFFAOYSA-N	303.149	1.637	50	20	DDGD	
CO[C@@H](C)C(=O)Nc1cccc(NC(=O)NNC(=O)C2CC2)c1	274122053	SVPJHJIQYWQWJM-VIFPVBQESA-N	320.349	1.223	50	20	DDGD	
COc1nccnc1NNC(=O)C[C@H]1CCO[C@H](C(C)C)C1	274134575	WDQWNMBXOSLLNC-RYUDHWBXSA-N	308.382	1.770	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CC[C@@H](CC(N)=O)C1	366461346	LJIBKHFLTSLNJR-WCBMZHEXSA-N	305.216	1.520	50	20	DDGD	
Cc1ocnc1CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	271472738	ITVOPBYPQFQQFT-YIXHJXPBSA-N	309.329	1.725	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(C(=O)N(C)C)cc1	277079313	JNPUFLXKRVRQOM-UHFFFAOYSA-N	307.354	1.086	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1nc2ccccn2n1	276821639	IRYMKNOYLFSRFU-VIFPVBQESA-N	320.353	1.086	50	20	DDGD	
CCOc1ccccc1CNS(=O)(=O)CBr	272824898	PUDYTQITYKBQID-UHFFFAOYSA-N	308.197	1.857	50	20	DDGD	
CC(C)(C)SCCNC(=O)NNc1nc2ccccn2n1	276580541	NCVVPUNWQRSUFG-UHFFFAOYSA-N	308.411	1.887	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNc1ccccc1Br	270807055	GOWNLIHQOVFBDK-ZETCQYMHSA-N	316.155	1.637	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cccc2[nH]ncc12	271485680	WUUMVHXMAMJQCN-UHFFFAOYSA-N	309.420	1.035	50	20	DDGD	
CC(C)Oc1ccc(S(=O)(=O)NNC(=O)C2CCC2)cc1	271385777	PQGDEPQSQKTPJO-UHFFFAOYSA-N	312.391	1.583	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc(OCC(=O)OC)c1	273487141	MVRNPBUHZWEESC-JTQLQIEISA-N	323.349	1.437	50	20	DDGD	
COC(=O)N(C)NC(=O)CCc1nnc(-c2ccccc2)o1	286338569	MAEJDDMZUPVPCS-UHFFFAOYSA-N	304.306	1.399	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2ccc(F)c(Cl)c2)CC1	282830552	DIIYHJMLFSQNGY-UHFFFAOYSA-N	314.748	1.081	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl	289745862	QSXBBQFXJRHTRL-UHFFFAOYSA-N	315.717	1.946	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)c2c(C)noc2C)[nH]n1	280811899	NDOSQZCJCVJPDU-UHFFFAOYSA-N	305.338	1.062	50	20	DDGD	
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NNC(=O)c1ccccc1O	281660049	XUBSBMLEQNJVOF-BXUZGUMPSA-N	319.361	1.317	50	20	DDGD	
CCSCCCNC(=O)NNc1ccc(-n2ccnc2)nn1	287343778	YXRIZXOPNCIKGV-UHFFFAOYSA-N	321.410	1.432	50	20	DDGD	
CC(C)(C)OC(=O)Nc1cccc(C(=O)NNC(=O)C2CC2)n1	281970348	YLODBXBBOHIYRB-UHFFFAOYSA-N	320.349	1.600	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NNC(=O)CCc1ccc(OC)cc1	299109881	SQAZDKLRJRWTHD-ZIAGYGMSSA-N	306.362	1.200	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CC2CC2)cnn1Cc1ccccc1	294012614	BNCJKUAFIWJTNT-UHFFFAOYSA-N	312.373	1.801	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CCCNC(=O)OC(C)(C)C)n1	298145549	KOGAQXNWSYXQBE-UHFFFAOYSA-N	323.397	1.841	50	20	DDGD	
Cc1[nH]c2ccccc2c1CC(=O)NNC(=O)N=c1cc[nH]cc1	802024163	JTBYVGXJTSYFMM-UHFFFAOYSA-N	323.356	1.689	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNC(=S)N[C@H](C)C1CC1	805189723	VXUADRIIVRODPH-SECBINFHSA-N	315.439	1.260	50	20	DDGD	
CCc1ccc2occ(C(=O)NNc3nnc(C)c(O)n3)c2c1	806364803	JFWJVGMNDZFQCY-UHFFFAOYSA-N	313.317	1.951	50	20	DDGD	
O=C(NNC(=O)N1C[C@]2(CCCO2)[C@H]1C1CC1)c1ccccc1	297422489	JSMJHVZWFDELOI-RHSMWYFYSA-N	315.373	1.684	50	20	DDGD	
O=C(NCCOC1CCCCCC1)NNc1ncncc1F	292857318	ZUELJSZLMXYYGV-UHFFFAOYSA-N	311.361	1.981	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1ccc(OC(F)F)cc1	802034467	ORVZSFNKFWTANH-UHFFFAOYSA-N	322.271	1.571	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1ccccc1F)CN1CCCC1	299039300	ZMKGZAROGLEYTP-LBPRGKRZSA-N	322.384	1.502	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccnc3ccncc23)n1	806985620	MDLQBWHSWKUCPE-UHFFFAOYSA-N	310.317	1.494	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N[C@@H](CO)C2CCCC2)cc1	290791415	OCOVWFZJPFJNLM-AWEZNQCLSA-N	316.361	1.053	50	20	DDGD	
CC(=O)NNC(=O)c1ccccc1-c1nc(C(C)(C)C)no1	294292386	VOICORXSHNBTRO-UHFFFAOYSA-N	302.334	1.815	50	20	DDGD	
Cc1cc(C)nc(C(=O)NNc2cccc(S(C)(=O)=O)c2)c1	801183442	LOSWJABKKXJEBA-UHFFFAOYSA-N	319.386	1.859	50	20	DDGD	
COC(=O)c1nn(C)c(C)c1/C=C(\C#N)C(=O)[C@@H]1CCCOC1	291808637	BFYNKHKCFJWJQH-LAPSENCUSA-N	317.345	1.418	50	20	DDGD	
O=C(NNC(=O)[C@@H](F)C(F)(F)F)c1ccc2c(c1)OCO2	809949772	AJVSXYLOYOMHAY-MRVPVSSYSA-N	308.187	1.077	50	20	DDGD	
CCSc1cccc(F)c1NC(=O)NNC(=O)CN(C)C	290235951	ZUPJVVLVZGYUII-UHFFFAOYSA-N	314.386	1.652	50	20	DDGD	
CCc1ccccc1OCCC(=O)NNC(=O)c1cc(C)[nH]n1	802937958	KQEUSRHVJZJYFX-UHFFFAOYSA-N	316.361	1.511	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cccc2nc(C)[nH]c12	801886416	BUDWKLHALRGHGW-UHFFFAOYSA-N	324.340	1.955	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1C#N)C1CCN(C)CC1	814743784	NPZXNZPHGGPTRN-UHFFFAOYSA-N	314.389	1.771	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=C1CC(C(=O)O)(c2ccccc2)C1	815001959	FSQWLAQEHPIKPH-UHFFFAOYSA-N	324.340	1.797	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCCSC1	811412490	RJZKTCVJTVZNOT-QWRGUYRKSA-N	316.423	1.255	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@]1(C)CC1(F)F	817424779	CYLDPNWPYOGHSF-ISVAXAHUSA-N	316.279	1.786	50	20	DDGD	
CC[C@@H](C=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1	814782556	PDWNRRNHCHYDHE-JSGCOSHPSA-N	308.403	1.717	50	20	DDGD	
CC(=NNC(=O)CSc1ccc(C)cc1)c1cnnn1C	814753251	IXYVOLFDJIDNOT-UHFFFAOYSA-N	303.391	1.756	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CC[C@H]2CNc3cccc1c32	814900988	RESKYUGTFXAQMI-VIFPVBQESA-N	302.334	1.166	50	20	DDGD	
N#Cc1ccc(NNC(=O)C[C@@H]2CCCS(=O)(=O)C2)cc1	815851734	RVZGLXQJZVHEGN-LBPRGKRZSA-N	307.375	1.216	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1cccc(CN(C)C)c1	814820075	WFZDYYNJZBZUQL-UHFFFAOYSA-N	306.410	1.808	50	20	DDGD	
O=C(CC1CC1)NN=C1C(=O)Nc2cc3c(cc21)OCCO3	814986189	JQCICYXKQJOCOE-UHFFFAOYSA-N	301.302	1.030	50	20	DDGD	
CC(CCCCCCC(=O)O)=NNC(=O)CN1CCCC1=O	814761445	WKJSOTPEBSUOGW-UHFFFAOYSA-N	311.382	1.526	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)Nn1c(O)nnc1O	816730717	MBCVNADUILKULN-SSDOTTSWSA-N	304.397	1.474	50	20	DDGD	
CCCc1ccccc1NC(=O)C(=O)NNc1ncncc1F	815763871	FMNJVRSSWXBOBR-UHFFFAOYSA-N	317.324	1.650	50	20	DDGD	
Cc1cc(C(=O)NNc2ncncc2F)nn1[C@@H](C)C1CC1	817082894	PMCRELQDWFWYCU-VIFPVBQESA-N	304.329	1.849	50	20	DDGD	
Cn1nc(C(=O)NN=C2CCC[C@H](C#N)C2)c2ccccc2c1=O	814740548	PKGIDRVYQHSQJI-NSHDSACASA-N	323.356	1.733	50	20	DDGD	
CN(NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1)C1CC1	819646009	YBHCCZOBZHWVDB-VIFPVBQESA-N	309.316	1.443	50	20	DDGD	
O=C(NN=C1CCN(CCO)CC1)c1ccc(O)c(Cl)c1	819807850	HTTVUXANNCDTMI-UHFFFAOYSA-N	311.769	1.220	50	20	DDGD	
CCn1nc(C)c(CNC(=O)NNc2c(C)cccc2F)n1	824712789	KETZTEZZRMROOH-UHFFFAOYSA-N	306.345	1.880	50	20	DDGD	
CCN(CCO)NC(=O)c1cccc(Oc2ccncc2)c1	823859893	CTLWRARNEUFJGO-UHFFFAOYSA-N	301.346	1.833	50	20	DDGD	
O=S(=O)(CCl)NCCNc1ccc(C(F)(F)F)cn1	829921594	QLQDHAKKJMXEOQ-UHFFFAOYSA-N	317.720	1.628	50	20	DDGD	
Cc1cc(C(=O)NN=C2CCC[C@@H]2NC(=O)OC(C)(C)C)n[nH]1	494695915	ZINGKLANGVOAHI-JTQLQIEISA-N	321.381	1.881	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(CC(=O)NNC(=O)C2CCC2)C1	493139617	RGYDCAAKMPWUPI-UHFFFAOYSA-N	311.382	1.191	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)Cc2nc(C)cs2)cc1	725855952	JBFHCOHILNDSTL-UHFFFAOYSA-N	317.370	1.931	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F	822963836	JYJOLXBSSWWTFQ-NTSWFWBYSA-N	321.126	1.563	50	20	DDGD	
CSCC[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)NN	825645057	OGZUBWZOPHKHKW-CYBMUJFWSA-N	318.402	1.076	50	20	DDGD	
Cc1ccc(-c2nn[nH]n2)cc1NC(=O)NNC(=O)C(C)(C)C	826278312	XHDKQJIEBUNHOD-UHFFFAOYSA-N	317.353	1.374	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NN=Cc1cnccn1	496325389	LDLHDTFMEDCSAB-UHFFFAOYSA-N	307.354	1.232	50	20	DDGD	
Cc1sc(NC(=O)NNC(=O)c2ncccn2)nc1C(C)C	824268207	NQTHYZDXNVFAPI-UHFFFAOYSA-N	320.378	1.831	50	20	DDGD	
CC[C@@H](OC)C(=O)NNC(=O)c1cccc(OC(F)F)c1	728486301	UQTARHXIHRPJCQ-SNVBAGLBSA-N	302.277	1.474	50	20	DDGD	
Cc1nnc(NNC(=O)Cc2csc(C(C)(C)C)n2)nc1O	726798377	SGPDPIHNJSVVPG-UHFFFAOYSA-N	322.394	1.325	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(N2CCC(C)CC2)nc1	727104195	ZJJSRVRTLBKTBL-UHFFFAOYSA-N	305.382	1.282	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NN=Cc1ccc(N)nc1	496512186	JUWSVWOXIOMBKR-UHFFFAOYSA-N	321.381	1.419	50	20	DDGD	
O=C(NN=Cc1cc(-c2nn[nH]n2)cs1)c1ccccc1F	823273408	MFVDHKMKCVTYSH-UHFFFAOYSA-N	316.321	1.831	50	20	DDGD	
CCOC(=O)NNC(=O)c1cccc(NC(=O)OC(C)(C)C)n1	496894797	WUMHRLZVRSZHLY-UHFFFAOYSA-N	324.337	1.820	50	20	DDGD	
O=C(Cc1ccsc1)NN=Cc1cc(-c2nn[nH]n2)cs1	823115604	SDYDXUCMMSCXAY-UHFFFAOYSA-N	318.387	1.683	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)C(C)(C)N1CCCCC1	907030661	ZBSICHATBGDTAB-UHFFFAOYSA-N	317.433	1.949	50	20	DDGD	
C[C@H]1OC(=O)N[C@H]1C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	496376761	BUSINZTUTGYEQW-MLUIRONXSA-N	314.685	1.188	50	20	DDGD	
COC(=O)NNC(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1	495367663	SKMZZQWXARKYPM-UHFFFAOYSA-N	321.377	1.806	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCC[C@H](C)NC(=O)OC(C)(C)C	491224828	GXRQACIILMCHNK-JTQLQIEISA-N	316.402	1.276	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=C1COc2ccc(F)cc21	494540124	RFSLKUNLSANYPS-UHFFFAOYSA-N	323.324	1.563	50	20	DDGD	
CC[C@@H]1C[C@@H](C)CN1CC(=O)NNC(=O)c1ccc(F)cc1	839506357	YQGATDDIKOOYGX-BXUZGUMPSA-N	307.369	1.707	50	20	DDGD	
O=C(NC[C@@H]1CCCCC1(F)F)NNC(=O)[C@H]1CCCCO1	836523552	KQPOJOBQNMMQKG-WDEREUQCSA-N	319.352	1.711	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N(CC1CCCCC1)C1CC1	584933133	WNFWROSIPDGQNG-UHFFFAOYSA-N	319.185	1.690	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)c2cnn(C)c2)c1	735416568	CDWYDGLHPAIAIH-UHFFFAOYSA-N	307.354	1.499	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1ccc(B(O)O)c(F)c1	584951369	ORKXKYFCUPAMDT-IUODEOHRSA-N	305.158	1.204	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNc1ccc(C(=O)OC)c(F)c1	837053404	NYWRGPXDTSAAED-YPMHNXCESA-N	308.309	1.647	50	20	DDGD	
CC1=NO[C@@](C)(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)C1	901283158	YIGUNWISBNWREW-XPSVCEGCSA-N	319.405	1.905	50	20	DDGD	
COCCN(C)NC(=O)c1cnn(-c2ccccn2)c1C(C)C	837620962	DDFHTUKIOJBCPS-UHFFFAOYSA-N	317.393	1.614	50	20	DDGD	
Cc1ccc(F)c2c1C(=NNC(=O)Cc1cccnc1)C(=O)N2	732712267	YFMNICZXEZAAJV-UHFFFAOYSA-N	312.304	1.544	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)OCCNC(=O)C2CC2)c1	908788568	CHDVRRZRZGFFEH-ZROIWOOFSA-N	314.341	1.672	50	20	DDGD	
OB(O)c1ccccc1CNC[C@@H]1CCC[C@H](C(F)(F)F)C1	585026917	UEBMHAYLMOIPIV-YPMHNXCESA-N	315.144	1.825	50	20	DDGD	
Cc1cc([C@H](C)NC(=O)c2ccc(B(O)O)c(F)c2)c(C)s1	584931242	MTMRJRFQIAXQDT-VIFPVBQESA-N	321.182	1.675	50	20	DDGD	
O=C(NNC(=O)C1CCN(Cc2ccccc2)CC1)C1CCC1	732141345	HLNKBNXCNSARGN-UHFFFAOYSA-N	315.417	1.846	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=Cc1cccc(F)c1	730588397	XCYFPLZEKBTGOH-UHFFFAOYSA-N	306.322	1.303	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1cccc2[nH]ncc12	732110544	DRRVBNGNIDPMKA-UHFFFAOYSA-N	321.300	1.765	50	20	DDGD	
C=COc1ccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)cc1	839512586	PSJJUVSVGFRHGQ-UHFFFAOYSA-N	319.361	1.731	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cnn3c2CCC3)cc1	831939755	FAEVBFMPHCJBOA-UHFFFAOYSA-N	315.333	1.304	50	20	DDGD	
COc1cccc(CO[C@@H](C)C(=O)NNC(=O)C2CCC2)c1	732144087	NNONAOMTWJBLHP-NSHDSACASA-N	306.362	1.548	50	20	DDGD	
CCCn1c(C=NNC(=O)c2cnn(C)c2)nc2ccccc21	735410951	FBNFSCXWFHKWSA-UHFFFAOYSA-N	310.361	1.944	50	20	DDGD	
C[C@H]1CC(=NNC(=O)[C@@H](C)CN2C[C@@H](C)O[C@H](C)C2)[C@H](C)O1	834934537	NNIQYWKVLOLLAP-QNSTZXKLSA-N	311.426	1.401	50	20	DDGD	
CNC(=O)C[C@H](C)NC(=O)NNc1ccccc1C(F)(F)F	838696479	CURLURVCWCAPPY-QMMMGPOBSA-N	318.299	1.856	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1ccc(O[C@@H](C)C(=O)O)cc1	831757774	WVHIUHYYQXSQTA-GJSJWPQCSA-N	319.313	1.635	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CCc2cc(F)c(F)c(F)c21	834933064	LELGBICSYWGYMT-UHFFFAOYSA-N	313.279	1.395	50	20	DDGD	
CCCC1(CNC(=O)NNC(=O)N=c2cc[nH]cc2)CCC1	836358147	PMQCQTMRJOLITK-UHFFFAOYSA-N	305.382	1.810	50	20	DDGD	
CC(CCO)=NNC(=O)c1cc(Br)ccc1O	749857587	CDLBJVFPUVILQL-UHFFFAOYSA-N	301.140	1.643	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=O)OCC(F)(F)F)C1	912597696	ZSYUZKIPGCLXFS-POYBYMJQSA-N	320.271	1.395	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2sc(C)nc2C)n1	743655596	USTSRCZZYDYURX-UHFFFAOYSA-N	306.395	1.993	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cc(C3CC3)n(C)n2)cc1	741889888	YRLSNFUXPSWGAP-UHFFFAOYSA-N	312.373	1.935	50	20	DDGD	
O=C(NCC(F)(F)F)NN=Cc1ccc2c(c1)OCCO2	917553270	HJKRIMDZIZSZBJ-UHFFFAOYSA-N	303.240	1.653	50	20	DDGD	
NC[C@H]1CC[C@@H](NC(=O)NNC(=O)Cc2ccc(Cl)cc2)C1	842009701	GHHLDTCXQLNZTK-WCQYABFASA-N	324.812	1.340	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C[C@@H]2CCCO2)c1	915618156	VYQBIGGSRBBHEX-NSHDSACASA-N	308.334	1.034	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccc3ccccc3c2)cnn1C	918621645	DBFUWZRIXARTII-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)NN	841057548	OYLZDGBZUHNBIO-UHFFFAOYSA-N	300.384	1.019	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Nc2cccc(C(N)=O)c2)cc1	747298057	AAQNRZAUNMRXBN-UHFFFAOYSA-N	323.312	1.124	50	20	DDGD	
COc1cc(C(=O)NN=Cc2cnn(C)c2)ccc1OC(C)C	917212430	YCUMTKGPSKAVEH-UHFFFAOYSA-N	316.361	1.980	50	20	DDGD	
O=C(NN=C1CCc2cccc(Cl)c2C1)C(=O)NC1CC1	841616145	HBXBFQUAQZUVFS-UHFFFAOYSA-N	305.765	1.580	50	20	DDGD	
COC[C@@](C)(O)C(=O)NNc1ccc(Br)cc1C	748753882	ACZYXRGPMLXCAJ-GFCCVEGCSA-N	317.183	1.598	50	20	DDGD	
CC(C)c1c(C(=O)NN(C)C[C@@H](C)O)cnn1-c1ccccn1	910170503	KVTIBDYPKOBPPD-GFCCVEGCSA-N	317.393	1.348	50	20	DDGD	
COc1ccc(OCCNC(=O)NNC(=O)c2ccc[nH]2)cc1	916213671	GJFUUAAQSIIHSG-UHFFFAOYSA-N	318.333	1.046	50	20	DDGD	
COc1cccc(OC)c1S(=O)(=O)NCCCSC#N	916985668	MYTKNZHTXZZDSA-UHFFFAOYSA-N	316.404	1.586	50	20	DDGD	
CC[C@@H]1COC(C)(C)CN1CC(=O)NNC(=O)c1ccccc1	844386887	PGJPBWCJXDBLII-CQSZACIVSA-N	319.405	1.337	50	20	DDGD	
CO[C@H](CC(=O)NNc1nc2ccccc2[nH]1)C(F)(F)F	846636953	SURHUSCNIYSHCF-SECBINFHSA-N	302.256	1.973	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)/C=C/c1ccc(Cl)cc1	843642611	XPHOKYUQMNEEJQ-VNRAKMJVSA-N	308.765	1.926	50	20	DDGD	
NC(=O)C1(C(=O)NNc2cccc(C(F)(F)F)c2)CCC1	747994881	BHKAECCZZPYFRG-UHFFFAOYSA-N	301.268	1.804	50	20	DDGD	
CC[C@](C)(O)C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	929340874	HJHIZCLRWMXVKT-VFZGTOFNSA-N	310.419	1.795	50	20	DDGD	
C[C@@H](C(=O)NNc1nccnc1Cl)C(=O)OC(C)(C)C	840859543	NFBUOZNUCFYWJG-ZETCQYMHSA-N	300.746	1.551	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@H]1NCCc2ccccc21	841998737	USXXKOITKJCMHE-CYBMUJFWSA-N	304.394	1.250	50	20	DDGD	
CCOC(=O)C1CCC(NC(=O)NNC(=O)C(C)(C)C)CC1	921123105	PLDUOWFNYAOKMV-UHFFFAOYSA-N	313.398	1.485	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCc2cc(O)c(OC)cc2C1	925294276	TVMWOBAGJRIZIX-JLHYYAGUSA-N	302.330	1.729	50	20	DDGD	
C[C@H](NC(=O)NC[C@]1(C)C[C@@H]1Br)C1(CO)CC1	923368908	GWYUZDXUDAJTRI-QXEWZRGKSA-N	305.216	1.620	50	20	DDGD	
C[C@@]1(CNC(=O)NCc2cncnc2N)C[C@@H]1Br	856954238	PQXXMHDIEXAEAB-KWQFWETISA-N	314.187	1.032	50	20	DDGD	
Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)nc1	753481874	QELJGQLVBFTUAD-UHFFFAOYSA-N	313.313	1.008	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)OCC(F)(F)F)c2ccccn12	856021577	QMHNJZHDZZTQIS-UHFFFAOYSA-N	316.239	1.576	50	20	DDGD	
C[C@@H](c1ccccc1)[C@H](CO)NC(=O)NNC(=O)C1CCCC1	753343839	KJDOFKDTUNWDMY-WFASDCNBSA-N	319.405	1.672	50	20	DDGD	
CCOC(=O)C[C@@H]1CCCCC1=NNC(=O)c1cnccn1	754922734	JYIDHHQQUUPULR-NSHDSACASA-N	304.350	1.706	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnn2cccc(Cl)c12	855005421	FDPBTUACLOSHFW-BDAKNGLRSA-N	322.752	1.174	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1ccc(F)c2cccnc12	759191608	DYEYPESDBJKWNP-UHFFFAOYSA-N	314.320	1.446	50	20	DDGD	
Cn1nncc1NNC(=O)[C@H](C(=O)OC(C)(C)C)C1CCCC1	857270304	XWQVQJUSPCOKPA-GFCCVEGCSA-N	323.397	1.406	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)C2CC(F)(F)C2)nc2ccccc21	753564489	WJFBZYVVUYHKAN-UHFFFAOYSA-N	322.315	1.309	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H](C)Cn2ccnc2)c1	858154245	BMQIJHKQQHRYBC-JTQLQIEISA-N	307.379	1.286	50	20	DDGD	
COc1ccc2c(c1)[C@@H](C(=O)NNc1cnnn1C)CCC2	857269979	KZRBGVYSZUQRDY-LBPRGKRZSA-N	301.350	1.387	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C2CCCC2)c2ccccc2c1=O	758014045	JHEBEXOLDDYXDV-UHFFFAOYSA-N	313.357	1.490	50	20	DDGD	
CC(C)(CCC#N)CNC(=O)NNC(=O)c1cccc(F)n1	852340021	SRHSALBYZPUKDH-UHFFFAOYSA-N	307.329	1.495	50	20	DDGD	
CCCNC(=O)[C@@H]1CCCN(C(=O)NNC(=O)C2CCCC2)C1	753333649	ALDIFWKNXQGFLS-CYBMUJFWSA-N	324.425	1.156	50	20	DDGD	
C[C@@]1(CNC(=S)NC2CCOCC2)C[C@H]1Br	857204400	RETXFFPRTGZOAU-KOLCDFICSA-N	307.257	1.803	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(Oc2ccccn2)cc1	756569545	QLJMDGQGILKPGY-UHFFFAOYSA-N	316.317	1.673	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CN2CC[C@@H]3C[C@@H]3C2)cc1C	852633697	CSJITRSPDKMQHJ-VXGBXAGGSA-N	321.446	1.722	50	20	DDGD	
CC(C)C(=O)NNC(=O)NC[C@@H]1CCN1Cc1ccccc1	852703500	PJYNYELQVRFDPC-AWEZNQCLSA-N	304.394	1.247	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(OCCC(C)C)cc1	756833170	JSXCTTQPLATJRS-UHFFFAOYSA-N	309.366	1.911	50	20	DDGD	
CC[C@@H](C)N(CC)CC(=O)NNC(=O)c1ccc(C#N)cc1	852290497	JLBCJLUGVPOWNF-GFCCVEGCSA-N	302.378	1.440	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNC(=O)OCC(F)(F)F)cn1	856024069	GLQLEGOHMQBLKI-UHFFFAOYSA-N	308.260	1.571	50	20	DDGD	
C[C@@H]1CC/C(=C/C(=O)OCC(=O)NNC(=O)c2ccccc2)C1	754190671	IXGIQPXTMSDNQC-YGYTWAPGSA-N	316.357	1.737	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@@H]1C1CCOCC1)C1CCCC1	753339776	MQXSVPRXAMBSTI-CQSZACIVSA-N	309.410	1.808	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1	758724670	MZGJDPAQZMQIIG-UMSGYPCISA-N	315.414	1.193	50	20	DDGD	
CC[C@H](C)[C@@H](C)NCC(=O)NNC(=O)c1cccc(C#N)c1	754171966	XXCRVTGWMKGACY-NWDGAFQWSA-N	302.378	1.343	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNC(=O)CC(F)(F)F)ccc1F	764114703	FSAZIXRWPZCXTN-UHFFFAOYSA-N	321.230	1.172	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cc(Br)cnc1F	861840623	JAZFNJMBPIUICK-UHFFFAOYSA-N	316.130	1.544	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cnn(C(F)F)c1)C1CC1	869219543	YKVGDLDBHJYBJJ-LURJTMIESA-N	303.338	1.186	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2cnn(C3CC3)c2)c1	860625777	SXVODDMNSVJINC-UHFFFAOYSA-N	320.374	1.378	50	20	DDGD	
COc1cc(OC)c(C(=O)O)cc1/C=C(/C#N)C(=O)NC(C)C	863178487	SARCYTCBMIBZSK-WZUFQYTHSA-N	318.329	1.834	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc(OC(F)F)cc1F	930735180	VECVNBKXTCGCDY-UHFFFAOYSA-N	317.267	1.781	50	20	DDGD	
COc1ccnc(C(C)=NNC(=O)CNC(=O)OC(C)(C)C)c1	863105678	XJINVRNTXDGQTQ-UHFFFAOYSA-N	322.365	1.455	50	20	DDGD	
C[C@@H](OCc1ccncc1)C(=O)NNC(=O)OCC(F)(F)F	869281975	SLUBOXVNUFEAFE-MRVPVSSYSA-N	321.255	1.306	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccc2c(c1)C(=O)NC2=O	768494329	AVIRZMORGZUCIF-UHFFFAOYSA-N	321.296	1.203	50	20	DDGD	
Cc1cc(=NNC(=O)c2sc([C@@H]3CCOC3)nc2C)cc[nH]1	869386903	DNFAMBMASAIADE-LLVKDONJSA-N	318.402	1.838	50	20	DDGD	
COC(=O)[C@H](C)c1cccc(NCc2cccc(B(O)O)c2)c1	864015351	MEIXBFMVQYIFAX-GFCCVEGCSA-N	313.162	1.255	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1CCN1C(C)(C)C	862994479	VIVOZLZJBBXOFW-LBPRGKRZSA-N	305.378	1.329	50	20	DDGD	
COCCOCC(=O)NNC(=O)CCc1ccc(Cl)s1	869909032	GBZYVWCANYPODI-UHFFFAOYSA-N	320.798	1.145	50	20	DDGD	
C[C@H](C(=O)NC[C@]1(C)C[C@@H]1Br)[C@H]1CCC(=O)N1	862259105	YKNPJHNSUFWMDZ-NHRVJRKFSA-N	303.200	1.191	50	20	DDGD	
CNC(=O)[C@@H]1CCCN(C(=O)[C@H](Br)C(C)(C)C)C1	768076943	FEGDHUQWBLTZFI-ZJUUUORDSA-N	319.243	1.781	50	20	DDGD	
Cc1ncc2n1C[C@@H](C(=O)NNc1nc3ccccc3[nH]1)CC2	870210551	RAGMYDZTYJEQFD-NSHDSACASA-N	310.361	1.774	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)N[C@@H](c1cccs1)C1CC1	875036565	FDSGGZYHQPPRCE-LLVKDONJSA-N	305.363	1.567	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)N[C@H]1C[C@@H](C(=O)O)C1	874414145	FDOWVICQGRFEQM-OTSSQURYSA-N	315.276	1.777	50	20	DDGD	
CC[C@@](C)(NCC(=O)NNC(=O)c1cccs1)C(F)(F)F	777615473	BBMCLAMLUJCPIY-LLVKDONJSA-N	323.340	1.830	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2CCCN2C)c(C)c1	873758049	HNCUGLVKAWSHFO-ZDUSSCGKSA-N	306.435	1.715	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)c1nc2ccccc2s1)C(C)C	874914271	QPJMKEINHWFSLD-LLVKDONJSA-N	307.375	1.728	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](c1ccccc1)C(C)C	772162570	UVUVHFRJWDXTDK-SWLSCSKDSA-N	320.389	1.915	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CCO[C@@H](C(C)C)C1	778587043	NGSSUXOYPIGHTN-CQSZACIVSA-N	305.378	1.706	50	20	DDGD	
C=CCN(CCc1ccco1)CC(=O)NNC(=O)C(C)(C)C	778996216	KAPGVFNZRUCLCS-UHFFFAOYSA-N	307.394	1.504	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCCC1(C)C	772598228	AKWADZULQFZWCA-RYUDHWBXSA-N	312.410	1.938	50	20	DDGD	
O=C(CO[C@@H]1CCOC1)NNc1ccccc1Br	1116345059	BUSXSYFPVNGEBJ-SECBINFHSA-N	315.167	1.698	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)Nc1cccc(C(N)=O)n1	770600619	JMOPYBWREXDGLR-UHFFFAOYSA-N	315.337	1.243	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1	772569454	WDQVISFIFVEWSP-NSHDSACASA-N	324.425	1.297	50	20	DDGD	
O=C(CS(=O)(=O)C1CCCC1)NNc1ccc(F)cn1	874651532	PNDVQZVPNJIXGM-UHFFFAOYSA-N	301.343	1.021	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2ccccc2OC(F)(F)F)C1=O	779204270	PAKIOVOPQZXHMI-QMMMGPOBSA-N	317.267	1.507	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)c1nc2ccccc2s1)C1CC1	874914333	SVAPJDKIQIJNIH-OAHLLOKOSA-N	319.386	1.872	50	20	DDGD	
Cc1cccc2nc(C(=O)NNc3nncc(N)c3Cl)cn12	1116298731	XVNHRXGQGBGCNA-UHFFFAOYSA-N	317.740	1.425	50	20	DDGD	
CC[C@]1(C(=O)NNC(=S)Nc2cccc(C)c2)CCNC1=O	873776445	IZAGLYGHOXFOSP-HNNXBMFYSA-N	320.418	1.229	50	20	DDGD	
Cc1nnc(CNC(=O)NNc2ccc(C(C)(C)C)nn2)n1C	1116097294	MKUMJITXSUEDLF-UHFFFAOYSA-N	318.385	1.037	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1[C@H]2CCCO[C@H]21	779718933	QRYHAEAPTFPSJN-SIFQGUOFSA-N	318.417	1.775	50	20	DDGD	
CCOc1cccc([C@@H](C)N[C@H](C)C(=O)NNC(=O)CC)c1	775209578	CNFXNADWVIROOE-VXGBXAGGSA-N	307.394	1.682	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@H]1C(=O)NNc1cccc(S(C)(=O)=O)c1	776526104	LYQHMEZOFDGRBB-QMTHXVAHSA-N	324.402	1.539	50	20	DDGD	
O=C(CCc1ccc2[nH]ccc2c1)NNC(=O)NCC1CC1	775676507	XMZQBCLFWGXISI-UHFFFAOYSA-N	300.362	1.841	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1nccnc1C(C)C)C1CCCC1	772892378	KPUOZGUPDNURBK-AWEZNQCLSA-N	319.409	1.738	50	20	DDGD	
O=C(CO)NN=C1CCc2c(Cl)cc(Br)cc21	776779213	APZHLQAXEBTIRQ-UHFFFAOYSA-N	317.570	1.861	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@@H](c1ccccc1)C1CC1	883089308	GHRMTXPTNWJISV-HNNXBMFYSA-N	317.389	1.895	50	20	DDGD	
CCc1nn(C)c(OC)c1CNS(=O)(=O)CCCCl	882038928	OMMFHCGJXKKRLM-UHFFFAOYSA-N	309.819	1.039	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cn(C)nc1OC)c1ccccc1	883961256	ZBHPJXNEDZOKNV-GFCCVEGCSA-N	316.361	1.384	50	20	DDGD	
C[C@@H]1C[C@H](CCNS(=O)(=O)CBr)CCO1	784417767	MZYNCEHXIQPLQC-RKDXNWHRSA-N	300.218	1.463	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)Nc2cnn(C(F)F)c2)n1	789178425	WOLMGEUELUIFDO-UHFFFAOYSA-N	318.675	1.452	50	20	DDGD	
C[C@]1(C(=O)NNc2ccccc2S(C)(=O)=O)CCCOC1	781347286	RSDWMKRKNJECAJ-AWEZNQCLSA-N	312.391	1.350	50	20	DDGD	
Cc1cccc(CCNC(=O)NNc2ccc(Cl)nn2)n1	792239071	AETQKKBGEBTCEZ-UHFFFAOYSA-N	306.757	1.702	50	20	DDGD	
C[C@H](OC[C@H]1CCCCO1)C(=O)NNc1ccc(C#N)cn1	899663673	JJXHCBOTORQHSK-WCQYABFASA-N	304.350	1.371	50	20	DDGD	
O=C(COC(F)F)NNC(=O)C12CC3CC(CC(C3)C1)C2	794614173	SLMQZZBOSDVCJE-UHFFFAOYSA-N	302.321	1.589	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1ccc(C)c([N+](=O)[O-])c1	790176728	SICNJSUXSGMUMM-UHFFFAOYSA-N	319.365	1.584	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)c3ccncc3)cc2n1C	792763285	NJYSFPLCGBNESA-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)Cc1ccncc1)c1cccnc1	797910371	MLLIIJHUVSNLFI-MRXNPFEDSA-N	312.373	1.606	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCc2cc(F)ccc2F)n1	792917917	MEXDRZIJJCEBDC-UHFFFAOYSA-N	320.299	1.812	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1ccnn1-c1ccccc1	799106782	NVTRFJBTELSUIV-UHFFFAOYSA-N	322.372	1.987	50	20	DDGD	
COc1cccc(C=NNC(=O)[C@H]2COc3ccccc3O2)n1	790142803	IHPUXCRZKPRMBH-CQSZACIVSA-N	313.313	1.380	50	20	DDGD	
C[C@@H](C(=O)NNc1ncncc1Cl)N(C)CC(F)(F)F	793890611	LFIURDASZITKTP-LURJTMIESA-N	311.695	1.456	50	20	DDGD	
N#C/C(=C\c1cnc(N2CCCC2)nc1)C(=O)[C@@H]1CCCOC1	794952593	GLERTPVVLGUXDN-VLHYRRCOSA-N	312.373	1.979	50	20	DDGD	
COC(=O)N(C)CC(=O)NNc1ccc(Cl)c(OC)c1	790170800	CCPZEEBAPXPMGS-UHFFFAOYSA-N	301.730	1.490	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cc2ncccc2F)c1	792307379	NSCLAUYKMIJTGS-UHFFFAOYSA-N	303.293	1.693	50	20	DDGD	
CC1CCN(CCC(=O)NN=C2CCCc3c2cnn3C)CC1	1318981273	IDPCXUWDNROZIV-UHFFFAOYSA-N	317.437	1.699	50	20	DDGD	
COc1cccc(CO[C@H](C)C(=O)NNc2ccn(C)n2)c1	1321387922	CALYOPPVKCJXOQ-LLVKDONJSA-N	304.350	1.477	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N2CCN(C)CC2)c(C)n1C1CC1	1334390252	ULMRICLBRBCHMA-UHFFFAOYSA-N	319.409	1.042	50	20	DDGD	
COc1ccc(Br)cc1CN1CC[C@@H](B(O)O)C1	585077533	WSLCGJGNBIMKEZ-SNVBAGLBSA-N	313.988	1.506	50	20	DDGD	
CC(C)c1nnsc1C(=O)NNC(=S)Nc1ccccn1	1336619023	YOPPTNXCSYRKTD-UHFFFAOYSA-N	322.419	1.688	50	20	DDGD	
C[C@@H]1Nc2ccnn2[C@H](C)[C@@H]1CCC(=O)NNc1cccnn1	1263774918	OFEFZNTXUSFPHW-QJPTWQEYSA-N	315.381	1.588	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCSC[C@@H]1CO	1262617484	SOVLBLLUDAADQD-DTWKUNHWSA-N	310.257	1.732	50	20	DDGD	
Cc1cc([C@@H](C)NC(=O)NNC(=O)[C@H]2CCCCO2)c(C)o1	1348031377	CCPCEOBGKCIBES-ZWNOBZJWSA-N	309.366	1.857	50	20	DDGD	
O=C(NC[C@H]1CN2CCC[C@H]2CO1)C1CCC(Cl)CC1	1527625926	POQDQLITNZQMGD-HOAMVYINSA-N	300.830	1.763	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1ccc(OCC(=O)O)cc1	1606869088	FUKMDYLSAGRHKU-UHFFFAOYSA-N	323.349	1.210	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NCC(C)(C)CC(=O)O	1600576085	ZFHUTZDLIYZXDK-UHFFFAOYSA-N	321.377	1.369	50	20	DDGD	
CC(C)[C@]1(C)C[C@H]1NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1603237568	DFHHXPOZGXZXNG-YGRLFVJLSA-N	316.369	1.322	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2ccc(-n3ccnc3)nn2)cc1	1602324157	CAGCIFMMQCKPBS-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
CN(CC(=O)NNc1ccc(CC(=O)O)cc1)[C@@H]1CCSC1	1606081399	MHUNFAJFZHFICP-CYBMUJFWSA-N	323.418	1.194	50	20	DDGD	
NC(=O)[C@H]1CCC[C@@H](C(=O)NNc2ccc(CC(=O)O)cc2)C1	1608230493	CAQRYRRZSLVODT-NWDGAFQWSA-N	319.361	1.049	50	20	DDGD	
Cc1ccc(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)cc1	1605834259	NVXLSDZSKQMXBN-UHFFFAOYSA-N	306.329	1.939	50	20	DDGD	
O=C(O)Cc1ccc(NC(=O)NNC(=O)C2CCCC2)cc1F	1608779673	OLRPZCBLXCMACP-UHFFFAOYSA-N	323.324	1.796	50	20	DDGD	
O=C(CCCc1ccccn1)NNc1ccc(-c2nn[nH]n2)cn1	1606518089	LPACWRWNJVOWGD-UHFFFAOYSA-N	324.348	1.123	50	20	DDGD	
COc1cc(C(C)=NNC(=O)C(=O)O)ccc1SC(F)F	1607147143	MKPYUUXAVQCXSH-UHFFFAOYSA-N	318.301	1.935	50	20	DDGD	
Cn1nc(C(=O)O)cc1NC(=O)[C@@]1(C)C[C@H]1Br	1608143817	IQJXTYVZHQCMHR-LDWIPMOCSA-N	302.128	1.230	50	20	DDGD	
O=C1CCC[C@@H](CC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)N1	1610883150	WGAQQMADNTZOMJ-QMMMGPOBSA-N	322.273	1.257	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1ccc(F)c(F)c1	1549312721	CMZVYERMWXFNMT-WFASDCNBSA-N	323.343	1.668	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)[C@@]12CNC[C@@H]1CCOC2	1578265435	AOBGDRCFIBKKTH-WMLDXEAASA-N	303.406	1.627	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C[C@@H](N)C(C)(C)C)c1	1579169006	IKMCULBROOPFHF-CYBMUJFWSA-N	323.393	1.228	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@H](C)CC(=O)O	1592359752	LDKPOTVTBHJXRM-SSDOTTSWSA-N	300.746	1.807	50	20	DDGD	
CN(C)c1cnc(C(=O)NNc2ccc(C(=O)O)cc2F)cn1	1598348760	VLNRZRIFKPQFCD-UHFFFAOYSA-N	319.296	1.137	50	20	DDGD	
Cc1sccc1CC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1592523517	GAPHQZVIXJQALD-UHFFFAOYSA-N	315.362	1.317	50	20	DDGD	
Cc1c(C(=O)NNc2ccc(C(=O)O)cn2)cccc1[N+](=O)[O-]	1599982447	UPKSKGMVQHJSAN-UHFFFAOYSA-N	316.273	1.753	50	20	DDGD	
COc1ccc(NNC(=O)Nc2ccccc2CC(=O)O)nc1	1594106461	VLGHJQGDPRGWKS-UHFFFAOYSA-N	316.317	1.866	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=Cc1ccc(C(=O)O)c(OC)c1	1776102057	FUKGRFYWUJKYHF-WCQYABFASA-N	306.318	1.269	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl)[C@@H]1CCOC1	1796810066	NRWSTGWNOCVLLJ-ZIQFBCGOSA-N	318.776	1.196	50	20	DDGD	
Cc1cc(F)cc2c(=O)c(C(=O)NNc3ncccn3)c[nH]c12	162443844	CBIACAANTROFQB-UHFFFAOYSA-N	313.292	1.523	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(CCc2ccccc2)CC1	158723084	OVNFNXCRNLRHQG-ICFOKQHNSA-N	313.401	1.817	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2nc(C(F)(F)F)cs2)CCN1	152289945	SRNFCLGEQUPAGD-YFKPBYRVSA-N	308.285	1.131	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N[C@H]1C=CCCC1	153024462	AMCLPRISIXINQK-LBPRGKRZSA-N	313.361	1.695	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2c[nH]c3cccc(C)c23)[nH]n1	153241233	CJIMDECNTIZNMK-UHFFFAOYSA-N	311.345	1.512	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)[nH]1	153355509	OQYQVEVNMGDVMV-UHFFFAOYSA-N	321.296	1.616	50	20	DDGD	
CCc1nn(C)c(Cl)c1C(=O)NNC(=O)c1ccc(C)o1	155507916	QGJKHUGVGFWJCN-UHFFFAOYSA-N	310.741	1.612	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2ccncc2F)c1	155607215	YWRLWUKKLYOPFA-UHFFFAOYSA-N	318.308	1.102	50	20	DDGD	
Cc1csc(=O)n1CCC(=O)NNc1ccncc1Cl	154690886	IEIPIZPJDWMMJG-UHFFFAOYSA-N	312.782	1.800	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CCCCO1	159809248	OCHGYXZGPMCGOJ-ZWNOBZJWSA-N	310.325	1.310	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCCC[C@@H]1C1OCCO1	780763072	JNMLQDNTVVWGLZ-LLVKDONJSA-N	311.831	1.563	50	20	DDGD	
CC[C@@H](O)[C@H]1CCCCN1S(=O)(=O)CBr	782462781	MEEPHVGUMAYINZ-RKDXNWHRSA-N	300.218	1.294	50	20	DDGD	
CCNC(=S)NNC(=O)CCSc1ccc(F)cc1	6447163	LBKOKQPDZAJRTQ-UHFFFAOYSA-N	301.412	1.823	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(C(F)(F)F)c1)S(C)(=O)=O	103277232	MSQIWRAODNTAMQ-SSDOTTSWSA-N	310.297	1.582	50	20	DDGD	
CS[C@H]1CCC[C@H](NC(=O)NNC(=O)Cc2cccnc2)C1	117512069	UGPVNQBHLSQYCX-STQMWFEESA-N	322.434	1.629	50	20	DDGD	
CCCCCCN(C)CC(=O)NNC(=O)Cn1nc(C)cc1C	111543115	MLLPIEKQLLLUIQ-UHFFFAOYSA-N	323.441	1.159	50	20	DDGD	
C[C@H](OCC1CC1)C(=O)NNc1nc(-c2ccncc2)no1	102186025	KSXMFSKQPCVXKQ-VIFPVBQESA-N	303.322	1.390	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCNC(=O)c1ccc(F)cc1	64424967	DJOVFIWRPAGCJO-UHFFFAOYSA-N	324.356	1.076	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)Cc1cccc(F)c1	27245082	NYPHPLMHXKEZCY-UHFFFAOYSA-N	304.296	1.897	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCc1cccnc1	66907675	RHPNVWVIIWFADM-UHFFFAOYSA-N	302.309	1.294	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1nnc(C(C)(C)C)o1	110104002	NYYPSOLYLKJQBA-ZETCQYMHSA-N	300.384	1.405	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=S)N[C@H](C)C2CC2)c1	171168219	LDJCJEZDZJJJAS-GFCCVEGCSA-N	321.446	1.976	50	20	DDGD	
Cn1ccc(CC(=O)NNc2nc(C(F)(F)F)cs2)n1	180826873	QMCFCHTXXOVZTA-UHFFFAOYSA-N	305.285	1.581	50	20	DDGD	
Cc1ccnc(NNC(=O)CCn2cnc3ccccc3c2=O)c1	176725485	SORZYFAYLOCMDU-UHFFFAOYSA-N	323.356	1.633	50	20	DDGD	
CC[C@H](C)[C@H](C)C(=O)NNC(=O)CNc1ccc(OC)cc1	182971928	ICFVUINACBQEAW-RYUDHWBXSA-N	307.394	1.937	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCc1cc(F)ccc1F	65204624	BZZRZHDPXMNBOU-UHFFFAOYSA-N	315.320	1.264	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H](C)Cc2c(C)nn(C)c2C)n1	173065622	BAHUTXQZAADMMN-VIFPVBQESA-N	318.381	1.157	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1cc(-c2ccncc2)on1	172288758	ZNXCUUUAWOJLQY-UHFFFAOYSA-N	316.708	1.937	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)CCNC(=O)OC(C)(C)C	66573566	RMCPAJLNAJNRFC-UHFFFAOYSA-N	301.387	1.485	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)ncn1	122788543	ISBAAFHFZVKMGE-UHFFFAOYSA-N	309.329	1.270	50	20	DDGD	
CCc1nn(C)c(CC)c1CNC(=O)NNc1ccc(C)nn1	128193980	XMDTVVZOOPAHKP-UHFFFAOYSA-N	317.397	1.470	50	20	DDGD	
O=C(CC(=O)NNc1ccc([N+](=O)[O-])cc1)NCC(F)(F)F	182143348	IBFZCGXBOATVTH-UHFFFAOYSA-N	320.227	1.107	50	20	DDGD	
CCCC(=O)N1CCC[C@H](C(=O)NNc2cc(C)nc(C)n2)C1	129060635	BWDSOWLHUKFSAO-ZDUSSCGKSA-N	319.409	1.575	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)Cc1ccccc1F	73140305	SZZIEUOIEUJGKB-UHFFFAOYSA-N	301.321	1.628	50	20	DDGD	
CCCC[C@@H](COC)NC(=O)NNC(=O)Cc1cccnc1	77662118	YETITWQCCSTVGV-ZDUSSCGKSA-N	308.382	1.160	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccon1	120366643	BRDCMUMPOKJACV-UHFFFAOYSA-N	314.223	1.775	50	20	DDGD	
CC(=O)Nc1cc(NC(=O)NNC(=O)c2ccc[nH]2)ccc1F	183514801	DBCWRFZPTWATJE-UHFFFAOYSA-N	319.296	1.579	50	20	DDGD	
O=C(NNc1ccccn1)c1ccnc(O[C@H]2CCOC2)c1	184049709	MWMZVGJUFCYJJK-LBPRGKRZSA-N	300.318	1.401	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1c[nH]c2cccc(OC)c12	181123136	CUDGTDQHDNTRGR-UHFFFAOYSA-N	318.402	1.400	50	20	DDGD	
COc1cccc(NNC(=O)NCCOc2ccccc2)n1	180800548	NCOVEEAKBMEWFO-UHFFFAOYSA-N	302.334	1.795	50	20	DDGD	
CCc1ccccc1S(=O)(=O)NNC(=O)c1ccccc1O	187176681	ZGQOHDRWXQGOJT-UHFFFAOYSA-N	320.370	1.578	50	20	DDGD	
CN(C)CC(=O)NNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl	77613942	KIVNQFNKMKGMOK-IUCAKERBSA-N	313.760	1.292	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C(C)(C)c1cccc(F)c1	134512090	IAPMQFAHGGYGLG-UHFFFAOYSA-N	303.337	1.903	50	20	DDGD	
O=C(C[C@H]1CCCCO1)NNc1nc2ccccc2c(=O)[nH]1	137195243	WCBHNXDJRIWHTH-SNVBAGLBSA-N	302.334	1.325	50	20	DDGD	
O=C(NNc1ncccn1)c1[nH]nc(C2CC2)c1Br	49175345	PPVQYOBQVJCOFE-UHFFFAOYSA-N	323.154	1.597	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H]1CCN(C2CCCCC2)C1=O	130252493	WIWBRJZNNBHQRW-GCZGRYASSA-N	305.378	1.480	50	20	DDGD	
CC(C)=CCNC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	190643213	JKFXUNACYHUOCU-LLVKDONJSA-N	309.341	1.890	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCCC2CCC2)c1	131129843	DJQCYPRSSKKBQL-UHFFFAOYSA-N	304.394	1.887	50	20	DDGD	
COCCc1ccccc1NC(=O)C(=O)NNc1ccccn1	190923663	AUDAHWPABVGHFR-UHFFFAOYSA-N	314.345	1.352	50	20	DDGD	
CCN(CC)CCNC(=O)NNC(=O)Cc1ccc(F)cc1	45545142	CWQQQBSXYWZSHT-UHFFFAOYSA-N	310.373	1.040	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cccc(F)c1Cl	81025643	OJQRAXMPEDZJRE-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
C[C@H]1C[C@@H](C)C[C@H](NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)C1	246879369	KDKFLTYCFQZTOF-OWTLIXCDSA-N	317.455	1.192	50	20	DDGD	
COCCCCNC(=O)NN=c1sc2ccccc2n1C	255758611	ZXOVRBNXOCUVCP-UHFFFAOYSA-N	308.407	1.781	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCCN1CCOCC1	255124165	WYQFGTDIPLPCOX-KAMYIIQDSA-N	303.337	1.181	50	20	DDGD	
C[C@H](C(=O)NNc1nccc(N2CCOCC2)n1)C(C)(C)C	268561537	DSNPYWJJOMCHND-LLVKDONJSA-N	307.398	1.439	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc(CN2CCCC2)cc1	264765431	NKPMCIRSCRZBML-UHFFFAOYSA-N	301.390	1.844	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)CC[C@H]2CCOC2)cc1	267592489	OEMFGAYRZKVNNU-LBPRGKRZSA-N	321.377	1.071	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)CC[C@@H]2CCOC2)cc1	267592486	OEMFGAYRZKVNNU-GFCCVEGCSA-N	321.377	1.071	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2cccc([N+](=O)[O-])c2C)CC1	269599354	JUAQXFAJMSFFTE-UHFFFAOYSA-N	307.306	1.690	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCC(C)(C)C[C@@H](C)O	266517203	DDWWUCKSASLCSC-GFCCVEGCSA-N	307.394	1.736	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)CN(C(C)=O)C2	363846350	CHMGDGJURDEPQV-JTQLQIEISA-N	318.377	1.748	50	20	DDGD	
CC(C)[C@H]1C[C@@H](CC(=O)NNc2nccn(C)c2=O)CCO1	272820826	FFBIJDIHKQVKDX-NWDGAFQWSA-N	308.382	1.065	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@H](F)C(F)(F)F)cc1	278552360	HDQLASJXIOPDBP-JTQLQIEISA-N	323.246	1.155	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1csc(-c2ccc(C)o2)n1	271259028	ICSSYKALSPRHAH-UHFFFAOYSA-N	322.390	1.947	50	20	DDGD	
CC(=O)N[C@H](CC1CCC1)C(=O)NNC(=O)c1ccc(C)o1	279256407	VCKVUUYGFNEDLC-GFCCVEGCSA-N	307.350	1.044	50	20	DDGD	
C#CCOc1ccc(F)cc1NC(=O)NN(C)C(=O)NCC	274471383	YMIISDGIQWXXEN-UHFFFAOYSA-N	308.313	1.536	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H](C(=O)NNC(=O)c2ccccc2O)C1(C)C	275513468	XQDRTSJBJUXCQG-ZYHUDNBSSA-N	318.373	1.795	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CCOCC2)c1Cl	276664291	XSIKMYQFVBXYSA-UHFFFAOYSA-N	303.771	1.397	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCc3[nH]ncc3C2)s1	270267464	VSAPSCJPUXTTAO-VIFPVBQESA-N	304.375	1.346	50	20	DDGD	
O=C(NNC(=O)c1cncc(C(F)(F)F)c1)NC1CCCC1	289659712	IEURWKWPIWJURO-UHFFFAOYSA-N	316.283	1.987	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1nc2cc(Cl)ccn2n1	289973692	XNSCJBYFJCNQKD-UHFFFAOYSA-N	310.745	1.582	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NNc1ccc([N+](=O)[O-])cc1C	288857610	XGHLYVSCKJROKU-LBPRGKRZSA-N	323.353	1.573	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cc2c(cc1C)OCO2	281209724	SLWWEMGJOVPEPE-MRVPVSSYSA-N	314.363	1.079	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1F)c1cc2n(n1)CCO2	377328405	BPGFOUGPNZIETG-UHFFFAOYSA-N	324.699	1.143	50	20	DDGD	
Cn1cc(CCC(=O)NNc2nccnc2C2CCC2)cn1	287209655	NPVLJZATSYDPMM-UHFFFAOYSA-N	300.366	1.554	50	20	DDGD	
O=C(Cn1cc(Cl)cn1)NNc1nccnc1C1CCC1	288150305	LCINDJNRXUSSAO-UHFFFAOYSA-N	306.757	1.737	50	20	DDGD	
CCN1C[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2C)CC1=O	288729963	PAQDZPSOGSPQHW-JTQLQIEISA-N	306.322	1.215	50	20	DDGD	
CS[C@H](C(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccc1	295360581	JFQHORWAANSHRS-STQMWFEESA-N	308.403	1.807	50	20	DDGD	
Cc1nc2cc(C(=O)NNC(=O)[C@@H]3CC[C@H](C)O3)ccc2o1	293799621	CTFGLJFAHDCIFO-SDBXPKJASA-N	303.318	1.465	50	20	DDGD	
COc1ncc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)cn1	803430689	IYNJXPQIOUIOBW-UHFFFAOYSA-N	311.301	1.084	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)[C@@H]2CCCCO2)c(C(C)C)n1	295587590	CWTOOCZKNBZAOI-LBPRGKRZSA-N	306.366	1.239	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)NCc1cccnn1	298616484	ORPKFZMVVAIBOO-UHFFFAOYSA-N	321.772	1.870	50	20	DDGD	
O=C(Cc1csc2nccn12)NNC(=O)Nc1ccccc1	801991555	RTGZXHSBSXUIBC-UHFFFAOYSA-N	315.358	1.791	50	20	DDGD	
C=CCC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	292395261	INAHSSYTTRJPBA-UHFFFAOYSA-N	303.362	1.683	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2ccnn2[C@H](C)C2CC2)O1	296537339	ASAMTAOEFHRELW-UMNHJUIQSA-N	321.381	1.574	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1sccc1-n1cccc1	295266618	BMOXZBSKBZACAQ-GFCCVEGCSA-N	319.386	1.869	50	20	DDGD	
Cc1nc2c(C(=O)NNC(=O)[C@H]3CCCCO3)cccc2o1	295300393	FBRNGPUQESMRLR-GFCCVEGCSA-N	303.318	1.466	50	20	DDGD	
CC(C)C[C@H](C)OC(=O)NNC(=O)COc1ccccc1O	296869769	UPHGVLCIIITXJH-NSHDSACASA-N	310.350	1.963	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1ccnc(-c2ncc[nH]2)c1	816126134	VZXBQHHAXOOCMI-UHFFFAOYSA-N	314.736	1.699	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)NCCc1cccs1	812534835	PRXMXKICVCZRQJ-MNOVXSKESA-N	313.423	1.540	50	20	DDGD	
O=C(NNC(=O)N1CCO[C@@H]2C[C@@H]21)c1cccc2ccccc12	814305769	NHDCMDSMRRZUGP-LSDHHAIUSA-N	311.341	1.667	50	20	DDGD	
COCCN1[C@H]2CC[C@H]1CC(=NNC(=O)c1cc(C)[nH]n1)C2	814876281	QRWALAHLIQOMAH-STQMWFEESA-N	305.382	1.077	50	20	DDGD	
O=C(NNC(=O)c1ccc2ccccc2n1)c1cccc(CO)c1	813362497	CUXDYTCMIQERPP-UHFFFAOYSA-N	321.336	1.802	50	20	DDGD	
CC(=NNC(=O)c1cnn(-c2ccccc2)c1)c1csnn1	814848470	LQBMKUYJDRSCJA-UHFFFAOYSA-N	312.358	1.878	50	20	DDGD	
CCOc1ccc(OCC(=O)NNc2ncncc2F)cc1	817077940	PGWVXUWQHMJAFN-UHFFFAOYSA-N	306.297	1.537	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C1CC[C@@H](C(=O)O)C(C)(C)[C@@H]1C	814852296	RKUZJNDJAJUZDJ-KCJUWKMLSA-N	306.366	1.961	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccccc1N1CCOCC1	817083566	MSZHXIQBFSVWNK-UHFFFAOYSA-N	317.324	1.209	50	20	DDGD	
Cc1c(NNC(=O)NCC2(CC(N)=O)CC2)cccc1[N+](=O)[O-]	817787334	MPLYZUROGHTWNK-UHFFFAOYSA-N	321.337	1.185	50	20	DDGD	
Nc1ccc2c(c1)C(=NNC(=O)C(=O)Nc1ccccn1)CCC2	814869555	NYZDUHCUYORROH-UHFFFAOYSA-N	323.356	1.459	50	20	DDGD	
Cc1nc(CC(=O)NN=C2CC[C@H](CC(=O)O)[C@H]2C)cs1	814739808	BPTFCUBKWSNLCM-PSASIEDQSA-N	309.391	1.987	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)C1(F)CCCCC1	810465726	ONQMGTKZAGPWLV-UHFFFAOYSA-N	318.352	1.697	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=O)NCCc2cccs2)o1	814626537	OHJHZFBUDICWOE-UHFFFAOYSA-N	322.390	1.794	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H](C)NS(C)(=O)=O	812764803	IHOCBEKDQOLRSR-LLVKDONJSA-N	313.423	1.499	50	20	DDGD	
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1c[nH]nc1C	814858393	WJJJHFMQMYOUFM-UHFFFAOYSA-N	303.278	1.486	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=Cc2nccs2)c1	814801189	ADHOUGAXEMSKDT-UHFFFAOYSA-N	309.372	1.311	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccc2c(c1)CC(C)(C)O2	729143628	OPGKZCWYPLBSKE-UHFFFAOYSA-N	303.362	1.375	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NC1CCN(CC(F)F)CC1	728596489	KJCOOCPGXGEKOB-UHFFFAOYSA-N	320.384	1.483	50	20	DDGD	
CN1CCC[C@H]1C(=O)NNC(=O)c1cccc(OC(F)F)c1	728609361	ALBPJQMVLWLMAB-NSHDSACASA-N	313.304	1.143	50	20	DDGD	
CNc1ncnc2cc(C(=O)NNC(=O)NC(C)C)ccc12	824403971	IGODDGMXDYRMFA-UHFFFAOYSA-N	302.338	1.024	50	20	DDGD	
Cc1c(C(=O)NN(C)[C@H](C)CO)csc1Br	823935668	VEMMEPWJEPSXSX-ZCFIWIBFSA-N	307.213	1.776	50	20	DDGD	
CC(C)[C@H]1C[C@H](C(=O)NNC(=S)Nc2ccccn2)CCO1	829003402	OCJOJRFWQSTBAZ-VXGBXAGGSA-N	322.434	1.850	50	20	DDGD	
C[C@@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(C)(C)CN(C)C	491050785	QTFQFLLMLNEXQX-CWZJEYLYSA-N	303.410	1.420	50	20	DDGD	
CCOc1ccccc1OCCCC(=O)NN(C)[C@@H](C)CO	823983374	RUNOCBVLMFGWQG-ZDUSSCGKSA-N	310.394	1.588	50	20	DDGD	
CC(C)C[C@@H](C)CC(=O)NNC(=O)CNC(=O)OC(C)(C)C	494452102	JGYLMOKYABUEOH-LLVKDONJSA-N	315.414	1.731	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NC2=NC[C@H](C)S2)cc(C#N)n1C	491008785	JAQFPJJYXVXCAT-XXMVTMBHSA-N	313.386	1.720	50	20	DDGD	
C[C@H](C=NNC(=O)c1ccccn1)CNC(=O)OC(C)(C)C	496386777	MPLACWJUPLTCFS-NSHDSACASA-N	306.366	1.958	50	20	DDGD	
CC(C)(C)OC(=O)NC1CC(=NNC(=O)c2cnccn2)C1	497028510	NUMKSUUJYBIFNM-UHFFFAOYSA-N	305.338	1.250	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1	823838455	QOLRJVLTWQGCPA-SNVBAGLBSA-N	313.379	1.421	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(OC)c(Br)n1	495106131	PUGRRWNZKDEZFM-UHFFFAOYSA-N	318.127	1.244	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CN(C)C)sc2ccc(C#N)cc12	825709648	ZJAWFPOFQRRNBX-UHFFFAOYSA-N	316.386	1.404	50	20	DDGD	
C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NNC(=O)C1CCC1	493048961	DMKIXTUOYFFHAS-JTQLQIEISA-N	313.398	1.437	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCC[C@H](CC(F)(F)F)C1	584998835	BALKFBRBRZBJHQ-SNVBAGLBSA-N	315.100	1.171	50	20	DDGD	
O=C(CCC(=O)c1c(F)cccc1F)NNC(=O)NC1CC1	823768507	XFKBLFPECOKZJF-UHFFFAOYSA-N	311.288	1.421	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1ccccc1Cl	825535020	XSZVANUCHQGCIX-ONGXEEELSA-N	311.769	1.595	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(C(C)C)n(-c2ccccc2)n1	823869975	UHUSAVCAMHQTGQ-UHFFFAOYSA-N	316.405	1.955	50	20	DDGD	
O=C(c1cnc(-c2ccccc2F)s1)N1CC[C@H](B(O)O)C1	585068663	DCGAPPAHRVSJEY-VIFPVBQESA-N	320.154	1.638	50	20	DDGD	
CCCNC(=O)NNC(=O)CN(C(=O)OC(C)(C)C)C1CC1	493832653	ZBKKBJPARCCSSJ-UHFFFAOYSA-N	314.386	1.126	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2ccc3c(c2)nnn3C)cs1	737424987	NBXWLEAHLHYBRB-UHFFFAOYSA-N	314.374	1.426	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CNc1cccc(C(F)(F)F)c1	823959856	QYOPZZDXUCXFDG-VIFPVBQESA-N	305.300	1.461	50	20	DDGD	
COc1cccc(CC(=NNC(=O)c2ncon2)C2CC2)c1	901290194	RUSSWLLLENHYFY-UHFFFAOYSA-N	300.318	1.817	50	20	DDGD	
COCCOc1ccccc1NCc1cccc(B(O)O)c1	585013647	ZSPHLWBZTNTYIJ-UHFFFAOYSA-N	301.151	1.004	50	20	DDGD	
CC(C)(C)[C@@H]1OCCC[C@H]1CNCc1ccc(B(O)O)cc1	585023600	NSKVIYQQPKJWOI-GOEBONIOSA-N	305.227	1.297	50	20	DDGD	
O=C(NN=Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1	730578893	WAZWFIZHYWVQRZ-JTQLQIEISA-N	300.767	1.225	50	20	DDGD	
Cc1nc(C(C)(C)C)sc1C(=O)Nc1cccc(B(O)O)c1	584911001	SZLUFYWEGVSTRM-UHFFFAOYSA-N	318.207	1.681	50	20	DDGD	
Cc1c(NNC(=O)[C@H]2CCCc3nn[nH]c32)cccc1[N+](=O)[O-]	830810088	GXSIPUUJHSBNFA-VIFPVBQESA-N	316.321	1.585	50	20	DDGD	
C[C@@H](C=NNC(=O)c1ccnnc1)CNC(=O)OC(C)(C)C	495897408	LMLLZNZOVKOBBF-SNVBAGLBSA-N	307.354	1.353	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	495435277	YWGAWPMDGOJICT-VIFPVBQESA-N	319.427	1.190	50	20	DDGD	
CC(C)(C)[C@@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)CC1	584951364	NECFHGJPPHLABQ-GFCCVEGCSA-N	321.201	1.794	50	20	DDGD	
CCOC(=O)NNC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C	496406671	PQSGGKIXDYWHRN-JTQLQIEISA-N	315.370	1.553	50	20	DDGD	
CC(C)N1CCC[C@@H](OC(=O)/C(C#N)=C\c2cnn(C)c2)C1=O	837972707	WMVDVFZRSQGYFN-SVSAJMPUSA-N	316.361	1.270	50	20	DDGD	
CCn1cc(C=NNC(=O)c2cc(OC)cc(OC)c2)nn1	901142460	ZQWJVDOAZQVMNO-UHFFFAOYSA-N	303.322	1.079	50	20	DDGD	
C=C(CBr)CN1C[C@H](C(=O)OCC)C2(COC2)C1	830274396	LFTKHQAIGWWRFS-LLVKDONJSA-N	318.211	1.449	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNc2ccccc2C(=O)O)c(O)n1	833754838	KYIYUPZFEAQFEN-UHFFFAOYSA-N	316.317	1.183	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)N[C@@H]1CCc2ccc(F)cc21	836286026	FCOQFIRAIDQHTI-ZIAGYGMSSA-N	321.352	1.713	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@]2(C)CCCCO2)cc1C	837309236	FWTOMFPHGCIJFD-QGZVFWFLSA-N	320.389	1.789	50	20	DDGD	
O=C(c1cccc(NCc2cccc(B(O)O)c2)c1)N1CCCC1	585012734	DRMJYCPXASOYFR-UHFFFAOYSA-N	324.189	1.215	50	20	DDGD	
CO[C@@H]1COCC[C@@H]1CNC(=O)[C@@]1(C)C[C@@H]1Br	908671537	BEPJZEQTDHGWKS-SVDPJWKOSA-N	306.200	1.328	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21	908032077	HERAYLFUPRRDJB-VSYUYLJXSA-N	306.293	1.281	50	20	DDGD	
CC(C)N(Cc1cccs1)C(=O)c1cc(B(O)O)ccc1F	584934331	QVHDJUFYJSYTMO-UHFFFAOYSA-N	321.182	1.618	50	20	DDGD	
Cc1cc(C(=O)NN=C2CCNC(=O)CC2)c2ccccc2n1	834919194	DODICDOTLMWBBC-UHFFFAOYSA-N	310.357	1.929	50	20	DDGD	
O=C(NNS(=O)(=O)c1cc2ccccc2o1)[C@H]1CCCCO1	830035113	YDFMEGSFUUEWND-GFCCVEGCSA-N	324.358	1.311	50	20	DDGD	
OCCCc1cccc(NCc2ccc(B(O)O)cc2F)c1	585035525	VXGJHTNAQOXCFY-UHFFFAOYSA-N	303.142	1.043	50	20	DDGD	
CON1CCC(=NNC(=O)Cc2c[nH]c3ccccc23)CC1	834930620	VOZRWVRYNRYCLQ-UHFFFAOYSA-N	300.362	1.840	50	20	DDGD	
O=C(NN=C1CC[C@@H]2CCCC[C@H]2C1)[C@@H]1CCS(=O)(=O)C1	730576148	BTDRHTNVWUZJNW-RWMBFGLXSA-N	312.435	1.884	50	20	DDGD	
CN1CCNC[C@H]1C(=O)NN(c1ccccc1)c1ccccc1	911925860	JLIGWMFTRPUSFZ-KRWDZBQOSA-N	310.401	1.760	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC(COC)COC)c1ccccc1	836613831	TZICONOTHUTSKC-AWEZNQCLSA-N	323.393	1.172	50	20	DDGD	
CCc1cc(N2CCC(NS(=O)(=O)CCl)CC2)ncn1	830783221	XZUQBKRVAGGPLT-UHFFFAOYSA-N	318.830	1.124	50	20	DDGD	
O=C(CCCc1ccccc1)NN[C@@H](C(=O)O)c1cccnc1	833098590	YBPCKYPCAUGNOD-MRXNPFEDSA-N	313.357	1.851	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)C(=O)NNC(=O)CCc1ccccc1	837381918	RQEPEQSBZPBILD-CYBMUJFWSA-N	314.389	1.379	50	20	DDGD	
O=C(NNc1ncccn1)N[C@H](Cn1cccn1)c1ccccc1	741425859	MSXXOXAIWSHUIR-CQSZACIVSA-N	323.360	1.741	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C2SCCS2)cc1	846377749	KRAUFAJVEAOXFJ-UHFFFAOYSA-N	312.416	1.651	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCO[C@H]2C)c([N+](=O)[O-])cc1O	842560714	YSQDDZOWBCBCMY-WCBMZHEXSA-N	323.305	1.184	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2cn(Cc3ccccn3)nn2)c1	748031272	PBDFSNDYUCTUIT-UHFFFAOYSA-N	319.328	1.350	50	20	DDGD	
COc1ccc(SCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	843649537	WKFQEVWDPFYIAH-ZWNOBZJWSA-N	324.402	1.360	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C(C)CCN(C)C	915943388	BCJXPRNIEAVRDG-UHFFFAOYSA-N	307.394	1.908	50	20	DDGD	
COC(=O)C12CC(C(=O)NNc3ccccc3[N+](=O)[O-])(C1)C2	843750801	SQOUQCCETLSBKC-UHFFFAOYSA-N	305.290	1.381	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CSCC#N)cc1C	915187964	BNDZCPGOCHVSRN-UHFFFAOYSA-N	307.375	1.086	50	20	DDGD	
CO[C@H](C=NNC(=O)[C@@H](C)Oc1ccc(F)cc1)[C@@H]1CCOC1	841611093	NXRZVFWSHNALME-LALPHHSUSA-N	324.352	1.747	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)CCC2(C)CC2)c1	910037575	HPEYZAOYDNTZMZ-UHFFFAOYSA-N	318.373	1.880	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C/C=C\c1ccccc1[N+](=O)[O-]	744812234	HVHJHETUKMSTOK-WVXODVSKSA-N	304.306	1.235	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)CC[C@@H](N)C(C)C)cc1	843355254	XRXLRILAHVHOEM-OAHLLOKOSA-N	320.437	1.061	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)OCC(=O)N2CCC2)cc1	746905278	AMVWZRGRPLGIQT-LCYFTJDESA-N	300.314	1.378	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H](C)CN1CCCCCC1	747725971	PSGCFYCWHQWOOO-LBPRGKRZSA-N	300.472	1.402	50	20	DDGD	
O=S(=O)(CCCCCl)NC[C@H](CO)c1ccc(F)cc1	841558498	BFKBBJLQIODBNC-GFCCVEGCSA-N	323.817	1.840	50	20	DDGD	
NNC(=O)NCCCN1CCN(c2ccccc2Cl)CC1	841738887	GSQGYBKARAZTOO-UHFFFAOYSA-N	311.817	1.025	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccccc1SCC(N)=O	915931146	HSNYUAABDDHHKZ-UHFFFAOYSA-N	310.379	1.073	50	20	DDGD	
CCC[C@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1	744774333	RYTXNMGLFGLQQL-NSHDSACASA-N	317.345	1.299	50	20	DDGD	
CCn1c(O)nc2ccc(C(=O)NNC(=O)CC(C)(C)C)cc21	848370330	SLJYRAUPGLHQTR-UHFFFAOYSA-N	318.377	1.959	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1F)N[C@@H]1CCCNC1	841944461	IHRPNUGGNXCBKT-SECBINFHSA-N	314.748	1.175	50	20	DDGD	
N[C@H]1CCC[C@@H](NC(=O)NNC(=O)c2cc3c(s2)CCC3)C1	841981495	DBJQLIVOHMANKK-WDEREUQCSA-N	322.434	1.451	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1ccc(Cl)cc1O	841622349	QWCVMBPUHBPXJM-UHFFFAOYSA-N	309.753	1.508	50	20	DDGD	
CCO[C@]1(C(=O)NN=C2CCCN3CCCC[C@@H]23)CCOC1	848412823	CXOSMOMMISHAHP-GOEBONIOSA-N	309.410	1.303	50	20	DDGD	
NC[C@@H]1CCCC[C@H]1NC(=O)NNc1cccc([N+](=O)[O-])c1	841950644	VEBBPDRCQSXYQE-GXFFZTMASA-N	307.354	1.738	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1noc2c1CCCCC2	843656356	MQSVNDLKIRDGCC-NXEZZACHSA-N	307.350	1.130	50	20	DDGD	
CCO[C@H]1C[C@H](NC(=O)NNC(=O)C2CCCC2)C12CCC2	745849777	CNQVDEWSOWOBLO-STQMWFEESA-N	309.410	1.855	50	20	DDGD	
C[C@H](C(=O)NNc1cc(Cl)nc(N)n1)C(=O)OC(C)(C)C	840415514	ILKROUHCCGCMDG-ZCFIWIBFSA-N	315.761	1.133	50	20	DDGD	
COCCCCN(C)C(=O)NNC(=O)CCOc1ccccc1	841576913	IHJUKQSTZYHZTN-UHFFFAOYSA-N	323.393	1.555	50	20	DDGD	
C[C@@H]1CCCC[C@H]1CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	920819109	UYMUEFVRJNFLOO-RDBSUJKOSA-N	316.467	1.695	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2cnc3ncccn23)cc1	755541904	AQJNTCXNUZBMSK-UHFFFAOYSA-N	309.329	1.567	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(C(=O)N(C)C)cc1	929313009	OPCNCBLVARIJMY-UHFFFAOYSA-N	316.361	1.345	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(N2CCOC2=O)ccc1C	756819617	ADEQAYHRDIMXKC-UHFFFAOYSA-N	306.322	1.514	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](CC(C)C)C(N)=O)c1C	855623663	LMPPKKRQLPKPHU-GFCCVEGCSA-N	321.377	1.372	50	20	DDGD	
CC(C)(C)OCCCNC(=O)NNC(=O)N=c1cc[nH]cc1	852551622	QPIOKUPRYFFZEL-UHFFFAOYSA-N	309.370	1.044	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)CCCCCS(N)(=O)=O	855370063	LYKRGMIUBWULTD-UHFFFAOYSA-N	317.386	1.426	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccc2c(c1)CCOC2	854997323	FJMLEEKRHDGUNN-UHFFFAOYSA-N	302.252	1.473	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H](C)CN2CCOCC2)c(C)n1C	754918697	UNBWIJVEBGDJKS-GFCCVEGCSA-N	306.410	1.060	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(Br)cc2cccnc12	758664295	AYLWDMMGXWZRBF-UHFFFAOYSA-N	323.150	1.571	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CCc1ccon1	854510270	MHDGRJICVWPEKB-UHFFFAOYSA-N	303.318	1.006	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)OCC(F)(F)F)cs1	856019629	ZHJBOMHBAIVOAU-UHFFFAOYSA-N	310.253	1.884	50	20	DDGD	
CCCOc1cccnc1C(=O)NNC(=S)NCC1CCC1	855089721	CUKDILMTRWYQQA-UHFFFAOYSA-N	322.434	1.779	50	20	DDGD	
COC1CCC(CCNC(=O)NNC(=O)c2ccc[nH]2)CC1	758719113	UJINNGXNBAOZAS-UHFFFAOYSA-N	308.382	1.554	50	20	DDGD	
O=C(NCCCOC1CCCC1)NNC(=O)c1cccc(F)n1	852031116	YNORLDZAAKTPCU-UHFFFAOYSA-N	324.356	1.514	50	20	DDGD	
COc1nc(C)ccc1C(=O)NNC(=S)N[C@H](C)C1CC1	855098659	KEJYPGVVQVJVPG-SECBINFHSA-N	308.407	1.306	50	20	DDGD	
CC(C)c1cc(NC(=O)NNC(=O)c2ccccc2O)no1	756792152	ZKRAUQSEUMNLLF-UHFFFAOYSA-N	304.306	1.970	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2ccncc2)c(N(C)C)n1	757754315	RJSSPQVIIYKJKX-UHFFFAOYSA-N	314.349	1.318	50	20	DDGD	
Cn1ccc(CNC(=O)NC[C@]2(C)C[C@H]2Br)n1	856845026	ISRPTMXJDXNWLE-KOLCDFICSA-N	301.188	1.393	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)Cn2ccc3ccccc32)C1	858198090	POYZNDHSZAKEKH-JOCQHMNTSA-N	316.361	1.149	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@H](C)NC(=O)NNC(=O)c1cccc(F)n1	852382052	JIFOYNMHQVYXIQ-BJOHPYRUSA-N	324.356	1.368	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@@](O)(CC#N)C2)C[C@@H]1Br	856961328	YALKUGMCAFIBFD-WCQGTBRESA-N	316.199	1.220	50	20	DDGD	
Cc1ncc(/C=C/C(=O)NNC(=O)OCC(F)(F)F)s1	856023572	OIWJBTKFDOSMDF-NSCUHMNNSA-N	309.269	1.784	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NNC(=O)c1cccc(F)n1	856422834	DVWUFMYYZFPESI-AAEUAGOBSA-N	323.368	1.967	50	20	DDGD	
N#CC1(C(=O)NNc2ccc(C(F)(F)F)nn2)CCOCC1	755189498	LSZLPERCSXJWSV-UHFFFAOYSA-N	315.255	1.259	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)c(C)c1	751617090	GYQMDARNYYKNQI-JTQLQIEISA-N	307.419	1.911	50	20	DDGD	
C[C@]1(CNC(=O)NOC2CCOCC2)C[C@@H]1Br	856850275	WMJIDWMKFHNOPS-GXSJLCMTSA-N	307.188	1.570	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCCCC1=NNC(=O)C1	854486902	DAWAPUKLTICJRR-WQLSENKSSA-N	314.320	1.505	50	20	DDGD	
Cc1nn(C)c(C)c1[C@H](C)C(=O)NN=c1cc[nH]cc1Cl	757419982	BVGWDZDDFHKYHJ-QMMMGPOBSA-N	307.785	1.754	50	20	DDGD	
Cn1nc(NC(=O)NNC(=O)[C@H]2CCCCO2)c2ccccc21	934440436	UOLKHSWNPRGRNC-GFCCVEGCSA-N	317.349	1.295	50	20	DDGD	
Cc1cc(=NC(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc[nH]1	757808526	ZWJDPJHYJJBYRH-UHFFFAOYSA-N	323.356	1.689	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC(F)(F)C[C@H]1C	858573148	ZOBANCQOQWMRAW-UTLUCORTSA-N	305.325	1.272	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2nnc3n2CCC3)cc1F	853268912	HODIJZHAYZNJSD-UHFFFAOYSA-N	304.329	1.498	50	20	DDGD	
CCO[C@H]1COCC[C@@H]1NC(=O)NNc1cc(F)ccc1C	853987965	KKUKAAMZVTVQTC-JSGCOSHPSA-N	311.357	1.954	50	20	DDGD	
Cc1ccc2c(c1)CN([C@@H](C)C(=O)NNC(=O)CC(C)C)CC2	852404490	OZKNDOQEHFOZKN-AWEZNQCLSA-N	317.433	1.935	50	20	DDGD	
CC(C)Cn1cccc(C(=O)NNc2ncc(F)cn2)c1=O	935124468	ABNNLSSKADERJZ-UHFFFAOYSA-N	305.313	1.190	50	20	DDGD	
Cc1cc(C)cc(C(=O)NCC(=O)NN[C@@H](C)C(F)(F)F)c1	862303902	CLUKECBFCHOAKK-JTQLQIEISA-N	317.311	1.605	50	20	DDGD	
C[C@@H](C(=O)NNc1cnccn1)n1ccc(C(F)(F)F)n1	867493344	KRJYKDVOTRPGSL-ZETCQYMHSA-N	300.244	1.396	50	20	DDGD	
CCSCCSCC(=O)NNC(=O)c1ccc(C#N)cc1	760516580	VUUCIFGNKBQNDH-UHFFFAOYSA-N	323.443	1.806	50	20	DDGD	
CCOC(C)(C)C(=O)NNc1nc2ccccc2c(=O)n1C	865831445	WHIBBCLZDIKTLC-UHFFFAOYSA-N	304.350	1.192	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NNC(=O)c2cc(C)cs2)C1	862475571	OXAJBZCGGHMCGQ-NSHDSACASA-N	309.391	1.076	50	20	DDGD	
O=C(NN=Cc1ccccc1OC(F)(F)F)C(=O)NC1CC1	767227592	GDYWRKRPXUUBMK-UHFFFAOYSA-N	315.251	1.314	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2cn(C)cn2)c1C	760132507	PRVCJYFVTIPXBQ-UHFFFAOYSA-N	303.391	1.668	50	20	DDGD	
O=C(NN=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccn1	765992406	KKHDLXOFUMHIJU-UHFFFAOYSA-N	315.245	1.662	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)NC1CCCC1)c1ccc(F)cc1	930966700	WZGCZQJHRQHDCA-OAHLLOKOSA-N	309.341	1.306	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC(=O)N(CC2CC2)C1	867205887	GSZBPEBGWCZBLZ-UHFFFAOYSA-N	308.831	1.093	50	20	DDGD	
CSCc1cccc(NC(=O)C(=O)NNC(=O)C(C)C)c1	763830828	AZOIHQIMSWRIDA-UHFFFAOYSA-N	309.391	1.292	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1cncc(N2CCCC2)n1	868528031	QEXLTGVCYGGANT-UHFFFAOYSA-N	318.768	1.882	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1ccc(Br)cc1C	769863838	YLAPLUXKTJBNCK-UHFFFAOYSA-N	321.196	1.477	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=S)NCc2ccon2)c1	764438837	OMSJMLFSSCQNOC-UHFFFAOYSA-N	319.390	1.050	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)c1cc2n(n1)CCCO2	762867718	WDUUZEUHJTWZAH-UHFFFAOYSA-N	310.317	1.366	50	20	DDGD	
CN(CCOC(C)(C)C)CC(=O)NNC(=O)c1ccccc1	767905414	MUNFMBJPRHNIFW-UHFFFAOYSA-N	307.394	1.195	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NNc1cccnn1	860752776	XUPIUNYKHVXMIY-SNVBAGLBSA-N	309.370	1.565	50	20	DDGD	
Cc1cccc(NC(=O)NCC(=O)NN[C@@H](C)C(F)(F)F)c1	862306455	AIXFHCKFPJBMMV-VIFPVBQESA-N	318.299	1.688	50	20	DDGD	
CCc1cc(NNC(=O)c2cncnc2)nc(-c2ccccn2)n1	761078669	QVHZPZAZVAKGGQ-UHFFFAOYSA-N	321.344	1.648	50	20	DDGD	
CCN(CC)CC(=O)NNC(=S)Nc1ccc(C)c(C)c1	873763770	JCYPOWZMUHHBRA-UHFFFAOYSA-N	308.451	1.963	50	20	DDGD	
C=CC(C)(C)CC(=O)NNC(=O)c1ccc2c(c1)OCCO2	878009443	RZJDAKBMPKUYML-UHFFFAOYSA-N	304.346	1.821	50	20	DDGD	
CCC[C@@H](CC)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	879421004	ULDYHEUVUAUSCW-LLVKDONJSA-N	315.414	1.875	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCCCN1CCCC[C@@H]1C	875078612	QRBRZGOMCMDHST-LBPRGKRZSA-N	300.403	1.553	50	20	DDGD	
C=CCOc1cccnc1C(=O)NNC(=O)c1cccc(C#N)c1	775484539	ZCMUKQROTSAOGJ-UHFFFAOYSA-N	322.324	1.593	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(S(C)(=O)=O)c1)c1ccc[nH]1	776629975	ZOUKDQYLLBIXBZ-JTQLQIEISA-N	322.390	1.806	50	20	DDGD	
CNC(=O)c1ccc(C(=O)OC[C@H](C)CBr)cn1	770365145	LQJKEGQEHDKGKT-MRVPVSSYSA-N	315.167	1.629	50	20	DDGD	
CCc1ccc(NC(=O)NNC(=O)COCCOC)cc1C	879085639	GFSSPTBYBVACJN-UHFFFAOYSA-N	309.366	1.373	50	20	DDGD	
CC(C)c1nccn1CC(=O)NNC(=O)Cc1ccc(F)cc1	873807728	CEQNEZYCCLQUEB-UHFFFAOYSA-N	318.352	1.536	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1	875202808	HPPVVFUKLUDKIR-GFCCVEGCSA-N	324.381	1.637	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)N[C@@H]2CCCOCC2)nn1	1116479139	KFESWTOURUJHNC-LLVKDONJSA-N	307.398	1.969	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C2(CN(C)C)CC2)cc1C	873773411	SXWRFAVYPPTESY-UHFFFAOYSA-N	319.405	1.171	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNC(=O)CC1CCCC1	878577031	FXFGAASETNNKJY-MEBBXXQBSA-N	304.394	1.803	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1nnc(-c2ccccc2)o1	887150786	XDYHPCKWHPLRCD-UHFFFAOYSA-N	312.329	1.230	50	20	DDGD	
C=Cn1cc(C=NNC(=O)c2cnn(-c3ccccc3)c2)cn1	773055242	WFRRVLYRNZRMMK-UHFFFAOYSA-N	306.329	1.933	50	20	DDGD	
Cc1cc2ccc(C(=O)NNc3ncnc4[nH]cnc34)cn2c1	774433355	NEBYSYQOWFGWNG-UHFFFAOYSA-N	307.317	1.671	50	20	DDGD	
C[C@H](c1ccccn1)N(C)CC(=O)NNC(=O)c1cccs1	777712855	FJEDNFNHZLCTOR-LLVKDONJSA-N	318.402	1.597	50	20	DDGD	
CN(C)[C@]1(CNC(=O)NNc2ccc(C#N)cn2)CCSC1	888471721	YFBSSEKNPAVYID-AWEZNQCLSA-N	320.422	1.017	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NNc1ccc(C#N)cn1	888949735	PERFEJCDAYGALM-GXTWGEPZSA-N	301.350	1.561	50	20	DDGD	
O=C(NNC(=O)c1oc(C2CC2)nc1C(F)F)NC1CC1	1123513697	ZQQXRVPBKNPYGQ-UHFFFAOYSA-N	300.265	1.596	50	20	DDGD	
COC1(OC)CC(CNC(=O)NNc2ncc(F)cc2F)C1	1123687801	SYTIDPIHLXXFBR-UHFFFAOYSA-N	316.308	1.385	50	20	DDGD	
CC(=NNC(=O)c1ccncc1)c1ccc(N2CCNC2=O)cc1	782097643	LPOQCXSVNDBCKK-UHFFFAOYSA-N	323.356	1.765	50	20	DDGD	
Cc1cnc(NC(=O)C(=O)NNc2cccc(C#N)c2)s1	782123152	BQGDCIWQNGJQFI-UHFFFAOYSA-N	301.331	1.405	50	20	DDGD	
CCNC(=O)c1ccc(OS(=O)(=O)CCCCl)cc1	881903826	RCSPCYMPSKKQGY-UHFFFAOYSA-N	305.783	1.774	50	20	DDGD	
N#C/C(=C\c1ccccc1)C(=O)OCC(=O)NCC(F)(F)F	785345708	RQLNCXTWJQXOSH-IZZDOVSWSA-N	312.247	1.815	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc(O[C@H]2CCOC2)cc1	782575456	YJSJFDSGZWVRDV-ZDUSSCGKSA-N	307.350	1.663	50	20	DDGD	
CCO[C@@H](CCNS(=O)(=O)CBr)C(C)C	782464888	SPOGWWMZZYBZRR-VIFPVBQESA-N	302.234	1.709	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C(=O)Nc1cccc2c1OCO2	784849087	NSRVQIPXVVHGNA-UHFFFAOYSA-N	318.264	1.031	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H](C)Oc1cccnc1	780732231	NIFAKPIOYPIWAB-NSHDSACASA-N	315.329	1.779	50	20	DDGD	
COCCOCCCCNC(=O)NNc1ncncc1Cl	780976526	TYXGVBURYQPRMT-UHFFFAOYSA-N	317.777	1.199	50	20	DDGD	
O=C(NN=Cc1scnc1C1CC1)C(=O)Nc1ccccn1	782248561	BRAJOLWJYKXUTM-UHFFFAOYSA-N	315.358	1.504	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NC1CCC(CO)CC1	787511888	ZLNKMNOWBMKQRB-NTEUORMPSA-N	300.358	1.966	50	20	DDGD	
Cc1cnccc1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	786040918	XOFYWVWPEBJTEH-LLVKDONJSA-N	307.350	1.129	50	20	DDGD	
CS(=O)(=O)Nc1ccc(COC(=O)/C(C#N)=C\C2CC2)cc1	786665497	GLHGSIWXDOPGJJ-JYRVWZFOSA-N	320.370	1.961	50	20	DDGD	
Cn1c(S)nnc1CNC(=O)[C@H](Br)C(C)(C)C	781083426	DVEBXZQVJHQMGW-ZETCQYMHSA-N	321.244	1.530	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2[C@H](C)[C@@H](OC)C2(C)C)n1	780042126	PDDZUQSPSUKASC-ZWKOPEQDSA-N	308.382	1.776	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCC(=NNC(=O)NCC(F)(F)F)C1	788426619	UQSWNMDVLPDLCE-MRVPVSSYSA-N	315.317	1.191	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2ccc(Cl)cc2F)C(=O)O1	896380591	IUHPSJRLIVTNDL-LDWIPMOCSA-N	301.705	1.809	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)C(C)(C)C(F)F	792028231	OEPHNFSEFDEIAJ-UHFFFAOYSA-N	310.304	1.695	50	20	DDGD	
Cc1ccc2c(c1)CC[C@H](C(=O)NNC(=O)NCC1CC1)O2	793208611	ZGCJIKFOPLVFKH-CQSZACIVSA-N	303.362	1.429	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])C(=O)Nc1ccsc1	790996125	BAKUFHKTXKNOEK-UHFFFAOYSA-N	324.293	1.877	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1n[nH]c2c1CCC2	790587755	CBRQKWVVVWOYSY-UHFFFAOYSA-N	305.269	1.703	50	20	DDGD	
C[C@H]1CCCC[C@H]1OCC(=O)NNC(=O)NCC(F)(F)F	798315370	SQGZYSKLEZJNHH-DTWKUNHWSA-N	311.304	1.474	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCC(F)(F)CC1	792928534	KANHHGSZZYOOJS-UHFFFAOYSA-N	313.304	1.781	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ccc3nsnc3c2)c1Cl	1319850646	ZQKNJDVPUZDOST-UHFFFAOYSA-N	321.753	1.474	50	20	DDGD	
O=C(CCO)NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1	1318923006	HFCISYOIHNPPNP-UHFFFAOYSA-N	303.274	1.687	50	20	DDGD	
O=C(C[C@H]1C=CS(=O)(=O)C1)NNc1ncnc2ccsc12	1319328190	HSOFBQFLGZGZJI-MRVPVSSYSA-N	324.387	1.083	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccc(Br)c(Cl)c1	1320728613	ZAKWRDWXXITFMF-UHFFFAOYSA-N	319.542	1.726	50	20	DDGD	
Cc1cc(C)n2ncc(C(=O)NNC(=O)c3ccc(C)o3)c2n1	1323653111	FXUVXXWQNLXHGC-UHFFFAOYSA-N	313.317	1.322	50	20	DDGD	
O=C(COCc1ccncc1)NNc1ccc([N+](=O)[O-])cc1	1324046126	LPSUFPLRHBGCEN-UHFFFAOYSA-N	302.290	1.650	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccc(OCC#N)cc1	1320106304	RGLHAUDHXAGCME-UHFFFAOYSA-N	314.305	1.087	50	20	DDGD	
CN(C)[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1cnn(C)c1	1327932072	KLCXNHQKYNZVPQ-QUWCCNNGSA-N	301.394	1.316	50	20	DDGD	
O=C(NCCOCC(F)F)NNC(=O)c1ccccc1Cl	1326202477	ZDVCONQEGXRXMM-UHFFFAOYSA-N	321.711	1.566	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H](C)N2[C@@H](C)CC[C@H]2C)cc1	1325467187	IYWFVGYCMXDGTI-FRRDWIJNSA-N	319.405	1.718	50	20	DDGD	
C[C@@H](C(=O)NNc1cncc(Br)c1)n1cccn1	1324493401	INGJAXULYQLOMF-QMMMGPOBSA-N	310.155	1.745	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cccc(C(C)C)c1	1330953869	CUBAJOOTFJGCCY-UHFFFAOYSA-N	319.405	1.876	50	20	DDGD	
O=C(NCCCCOc1ccccc1)NNC(=O)c1cn[nH]c1	1332532355	ZUNRVWHLTDLDRT-UHFFFAOYSA-N	317.349	1.213	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCc2cc(OC)no2)cc1	1330101877	ASALKIJNPUBMBB-UHFFFAOYSA-N	319.317	1.086	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H](C)c1cccc(C2CC2)c1	1330865999	XWAWWQCQJVSJPG-VIFPVBQESA-N	305.334	1.128	50	20	DDGD	
O=C(CN1CCC(CO)CC1)NNc1ccc(Cl)c(F)c1	1337147720	NSVPPTIHOMHOGH-UHFFFAOYSA-N	315.776	1.627	50	20	DDGD	
CC(C)N(C)C[C@@H](C)NC(=O)NNc1nncc(N)c1Cl	1261209782	PKWXWKKDJXCSAT-MRVPVSSYSA-N	315.809	1.067	50	20	DDGD	
CNC[C@@H](C)CNC(=O)NNc1cccc(Br)n1	1261375975	DYDBSWBIYVLGLA-MRVPVSSYSA-N	316.203	1.326	50	20	DDGD	
C[C@]1(COC(=O)CCn2cnccc2=O)C[C@@H]1Br	1345220620	RXVGTYNSEGEJAN-JOYOIKCWSA-N	315.167	1.350	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)cc1F	1347044827	WIUBIUZEVQIGCH-ZWKOPEQDSA-N	323.324	1.558	50	20	DDGD	
CO[C@@H]1CC(=NNC(=O)c2n[nH]c3c2CCCC3)C12CCC2	1344439843	XWFBOQGFKPOOIM-CYBMUJFWSA-N	302.378	1.963	50	20	DDGD	
CCN(CCO)NC(=O)c1ccccc1-n1ccc(C2CC2)n1	1347195664	YDXJNYZZICURGC-UHFFFAOYSA-N	314.389	1.709	50	20	DDGD	
CO[C@@H]1CC[C@H](NC(=O)NNc2ccc([N+](=O)[O-])cc2F)C1	1350516664	QZIFDSBFVOYKSQ-WCBMZHEXSA-N	312.301	1.928	50	20	DDGD	
CC(C)(C)c1[nH]cnc1C(=O)NNc1ccc(C(=O)O)cn1	1603554959	NJRVIIFSXXEILH-UHFFFAOYSA-N	303.322	1.557	50	20	DDGD	
Cc1c(NNC(=O)C23CCCN2CCC3)cccc1C(=O)O	1600050248	AUJBVHLLVLDRBI-UHFFFAOYSA-N	303.362	1.765	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccoc1CC(=O)O	1609722180	LWLVSSWVSPGTLV-UHFFFAOYSA-N	304.306	1.577	50	20	DDGD	
O=C(O)[C@]1(C(=O)NNc2nccnc2C2CCC2)CC=CCC1	1605935461	JOHKREZGTAUTOT-MRXNPFEDSA-N	316.361	1.998	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)nc1	1602384318	DVXJPXLMEHRIRB-FKTZTGRPSA-N	311.288	1.904	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(C(=O)O)ccc1Cl	1609970169	DXYKXKGROYSAQR-UHFFFAOYSA-N	313.741	1.782	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1cncc(C(=O)O)c1	1600575394	CRAKGNZRZUVJRP-UHFFFAOYSA-N	313.313	1.092	50	20	DDGD	
CN([C@H]1C[C@@H](C(=O)O)C1)S(=O)(=O)c1ccc(CCl)cc1	1606181040	XEWMVJRMONHOGM-PHIMTYICSA-N	317.794	1.909	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cn(C3CCC3)nn2)c1	1608936382	ORODBUGDUGHNJR-UHFFFAOYSA-N	301.306	1.458	50	20	DDGD	
O=C(CSc1cccc[n+]1[O-])NNc1ccccc1C(=O)O	1601349674	ARFLICYIGONPLW-UHFFFAOYSA-N	319.342	1.254	50	20	DDGD	
O=C(NCCC[C@@H]1CCOC1=O)NNc1cccc(C(=O)O)c1	1608441414	KXTSASRDXJKBKG-SNVBAGLBSA-N	321.333	1.354	50	20	DDGD	
Cn1cc(C#N)c(NC(=O)NNc2cccc(C(=O)O)c2)n1	1600927662	YOCIHOMKEAUEJV-UHFFFAOYSA-N	300.278	1.139	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNc2ccc(C(=O)O)cn2)n1	1600597923	IZNKIULHTVVIMN-VIFPVBQESA-N	303.322	1.064	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)O)CCC1)c1cc(Cl)ccc1O	1605814875	XVHBHYWERGXRLA-UHFFFAOYSA-N	312.709	1.062	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(C(=O)O)cc1OC	1609902210	USEOPBSRNDYEQO-QMMMGPOBSA-N	309.322	1.592	50	20	DDGD	
O=C(NN=Cc1ccc(C(F)F)cc1)[C@H]1CN2CCC[C@H]2CO1	1549321603	TYDKIWPBHNAFLS-UONOGXRCSA-N	323.343	1.938	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1c(F)cccc1F	1549312091	AGBJUKRYLIUBLY-SMDDNHRTSA-N	323.343	1.668	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccc(C(=O)O)nc1	1592039925	SODSPKLBWAHEML-UHFFFAOYSA-N	301.306	1.450	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCc1ccc(F)cc1-c1nn[nH]n1	1592662991	RBKOMMBRRCQOBY-VZUCSPMQSA-N	313.292	1.909	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(C(=O)O)cc1F)[C@H]1CCCNC1	1593101566	HIXOXRUPZDRDSU-KOLCDFICSA-N	324.356	1.538	50	20	DDGD	
COc1ccc(NNC(=O)c2csc(-c3nn[nH]n3)c2)cc1	1591617295	IUHADAYSIOOVFQ-UHFFFAOYSA-N	316.346	1.694	50	20	DDGD	
CCCCC[C@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)O	1595670579	RZFZBLWYBPCJOM-WHGQRRHOSA-N	304.350	1.477	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cc(-c2nn[nH]n2)ccc1F	1590393674	KQTQIKJYVZEHND-ZETCQYMHSA-N	321.316	1.205	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)Nc1cccnc1C(=O)O	1594782072	PTPFWUYDHXJXHV-UHFFFAOYSA-N	309.232	1.602	50	20	DDGD	
O=C(O)c1cnc(Cl)cc1C=NNC(=O)[C@H]1CCCCO1	1776077670	PKDPFIWJIYZWEU-SNVBAGLBSA-N	311.725	1.452	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2snc(C)c2C(=O)O)c(O)c1	1776036457	OAVFDNSTBBFDRR-UHFFFAOYSA-N	319.342	1.928	50	20	DDGD	
O=C(CSC(=S)N1CCCC1)NNC(=O)c1ccccc1	5286795	NYPFAIRDFNYYMI-UHFFFAOYSA-N	323.443	1.562	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccncc2)cc(OC)c1OC	13146927	QXLMRSDBFLKAPR-UHFFFAOYSA-N	315.329	1.871	50	20	DDGD	
O=C(NNC(=O)c1cccnc1Cl)c1cccc([N+](=O)[O-])c1	15342592	VLHJEGUKLTVFOH-UHFFFAOYSA-N	320.692	1.718	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)c2occc2C)cc1	16416296	SZPABYMZRVLEGS-UHFFFAOYSA-N	316.313	1.514	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)CCNC(=O)c2ccco2)c1	150818257	XUFGTXQPGFKSMR-UHFFFAOYSA-N	305.309	1.990	50	20	DDGD	
O=C(CCNC(=O)OCC(F)(F)F)NNc1ccccc1F	153262028	KTGIXFLKAUBOKQ-UHFFFAOYSA-N	323.246	1.947	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccccc2O)cnn1CC(C)C	153461197	ZETGEBYMSLGLLH-UHFFFAOYSA-N	316.361	1.628	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C/c1cccc(-n2cccn2)c1	155172797	BNWHZSVUYMJNFM-GULXKOIASA-N	310.357	1.930	50	20	DDGD	
O=C(Cn1cnc(-c2ccccc2)n1)NNc1ncc(F)cn1	157689737	IANSQKRBHLPEEJ-UHFFFAOYSA-N	313.296	1.018	50	20	DDGD	
N#Cc1ccc(NNC(=O)COc2cccc([N+](=O)[O-])c2)cc1	155405908	UCXXYGUNMXPSFX-UHFFFAOYSA-N	312.285	1.989	50	20	DDGD	
C[C@H](O)C[C@@H](CNC(=O)NNc1ncccn1)c1ccccc1	155417892	MBDHFCGUVYAMJZ-JSGCOSHPSA-N	315.377	1.657	50	20	DDGD	
C[N+]12CC(=O)O[B-]1(C1CCC(Br)CC1)OC(=O)C2	1857776214	BJSJFHJGOSXROP-UHFFFAOYSA-N	317.976	1.193	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@@H]1C[C@@]12CCOC2	862289948	JBCDWLPYYAFRMV-XJKSGUPXSA-N	304.346	1.713	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NNC(=O)c1ccc(Cl)nc1	101645308	OTVHDMBYTSRFBP-AXFHLTTASA-N	324.812	1.757	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccc(C#N)cc2)cn1	57979788	PSJUTNRLQXDKGW-UHFFFAOYSA-N	311.301	1.428	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)/C=C/c1ccc(Cl)s1	54686351	KLOVBNUFAXPBEJ-GQCTYLIASA-N	315.782	1.087	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(=O)[nH]c2cc(F)ccc12	119842984	ZSKOKAXSYGWVMN-UHFFFAOYSA-N	320.324	1.411	50	20	DDGD	
O=C(CCN1C(=O)CCc2ccccc21)NNc1cccnn1	172410595	HCZWOCRWLRNUSB-UHFFFAOYSA-N	311.345	1.289	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1	52842675	GTRUJWDRKWOPDH-UHFFFAOYSA-N	317.732	1.740	50	20	DDGD	
Cc1ccccc1CCNC(=O)NNC(=O)Cc1cccnc1	171725334	MRKCTNFEVVMSEH-UHFFFAOYSA-N	312.373	1.506	50	20	DDGD	
CCCOc1ccc(S(=O)(=O)NNC(=O)[C@H](C)CC)cc1	55617265	GNNNWNZECNOOJA-LLVKDONJSA-N	314.407	1.831	50	20	DDGD	
NC(=O)NCc1ccc(C(=O)NNc2ncccc2Cl)cc1	172269311	PLFQADGMXXJZTG-UHFFFAOYSA-N	319.752	1.660	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc2C1)NC1CCCC1	68283908	RCLSENLMKSLNKU-LBPRGKRZSA-N	303.362	1.511	50	20	DDGD	
CN(C)N(C(=O)c1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1	68525603	QYHUVAFNTHQSOL-JTQLQIEISA-N	318.345	1.071	50	20	DDGD	
CC[C@H](C)N(C)CCNC(=O)NNC(=O)Cc1ccc(F)cc1	66197122	ZFGZKKVHPUCHDB-LBPRGKRZSA-N	324.400	1.429	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2csc(C(C)C)n2)n1	170664654	OCGHPVYSANTNQJ-UHFFFAOYSA-N	321.406	1.541	50	20	DDGD	
CC(C)CC[C@H]1CCC[C@H]1NC(=O)NNC(=O)C(=O)NC1CC1	69883216	FZZKWUNZDWLDHV-DGCLKSJQSA-N	324.425	1.200	50	20	DDGD	
C[C@@H]1CN(CCI)C[C@@H](C)S1=O	306337347	WKKPTHNGESSTHH-HTQZYQBOSA-N	301.193	1.263	50	20	DDGD	
CCc1c(C(=O)NNc2cc(C)ncn2)cnn1-c1ccccn1	172280123	NKUOQIUKEPCEEE-UHFFFAOYSA-N	323.360	1.685	50	20	DDGD	
O=C(/C=C/C1CCOCC1)NNC(=O)NCCc1cccs1	112195313	UQJUTHNIJJTIBS-ONEGZZNKSA-N	323.418	1.604	50	20	DDGD	
Cc1cnc([C@@H](NC(=O)NNC(=O)c2ccc[nH]2)C2CC2)s1	175880004	LBFLKHQCSGZTAB-NSHDSACASA-N	319.390	1.875	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C/c2cccc3c2OCCO3)n1	179419962	GXHATCDNGSAVCW-FMIVXFBMSA-N	310.313	1.737	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1ccccc1OCC1CC1	173943981	LTDQSNAXRZFRCF-UHFFFAOYSA-N	324.344	1.899	50	20	DDGD	
Cn1ncnc1NC(=O)NNc1ccc(C(F)(F)F)cc1	120000056	YEAWNTINMNNLQG-UHFFFAOYSA-N	300.244	1.983	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)C(C)(Cl)Cl	183488639	GEQRBPOURUCJRV-UHFFFAOYSA-N	315.160	1.598	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNC(=O)c1c(C)nc2ccccn12	188929544	LFLUVKQKUCSUSZ-UHFFFAOYSA-N	311.345	1.364	50	20	DDGD	
C=CCNC(=S)NNC(=O)C[C@H](C)C(=O)c1cccc(F)c1	72529684	JWLWJOVLMDUFTD-JTQLQIEISA-N	323.393	1.716	50	20	DDGD	
O=C(NNC(=O)N1CCSCC1)c1cc2ccccc2o1	78347535	DFJRUUDCGORAIJ-UHFFFAOYSA-N	305.359	1.836	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)Cc1cccc(F)c1	73301857	VLOZRPMUBVQRAI-UHFFFAOYSA-N	301.321	1.628	50	20	DDGD	
O=S(=O)(c1ccc(CCCCl)cc1)N1CC[C@H](CO)C1	182451513	HWXCDPKBVQSRAD-ZDUSSCGKSA-N	317.838	1.861	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(C#N)c(Cl)c1)N1CCN(C)CC1	182409130	JNCWVKUOVBRECB-NSHDSACASA-N	321.812	1.291	50	20	DDGD	
Cc1ccc(-c2ncco2)cc1NC(=O)NNC(=O)CN(C)C	120345676	VADNZDBWJHZIGS-UHFFFAOYSA-N	317.349	1.364	50	20	DDGD	
CN(CCc1cccs1)CC(=O)NNC(=O)c1ccccc1	72800580	QAZSZUUVYQJJCU-UHFFFAOYSA-N	317.414	1.684	50	20	DDGD	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NN(C)C(N)=O	181056360	LZWAUBXFDGVUOD-UHFFFAOYSA-N	322.365	1.837	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)c1ccc(C#N)cc1)C(C)(C)C	73148177	GJANXPVAJMWWKC-ZDUSSCGKSA-N	318.377	1.563	50	20	DDGD	
COC(=O)[C@H]1CN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CCO1	182630686	IWEQPUHNMGPOLS-ICDLMJIXSA-N	318.304	1.133	50	20	DDGD	
CC[C@H]1CCC[C@@H]1NC(=O)NNc1ccc(-n2cccn2)nn1	132394717	LWIXDLZMAUYGHE-RYUDHWBXSA-N	315.381	1.867	50	20	DDGD	
Cn1ncc2c1CCC[C@H]2NC(=O)NNC(=O)OC(C)(C)C	47002517	PAGGACUEOVXJHC-SNVBAGLBSA-N	309.370	1.536	50	20	DDGD	
CC[C@@H](CC(=O)NNC(=O)Cc1cc[nH]n1)c1ccc(C)cc1	186120338	JGHCBQRGJLZUOG-ZDUSSCGKSA-N	314.389	1.992	50	20	DDGD	
Cc1ccc(F)c(OCC(=O)NNC(=O)c2ccccc2)c1	132803738	ZAJFJSIDLMTNGY-UHFFFAOYSA-N	302.305	1.974	50	20	DDGD	
COc1cccc(NNC(=O)[C@H](C)N(C)CC(F)(F)F)n1	193781232	LYUFATCSZDNXRJ-QMMMGPOBSA-N	306.288	1.416	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cccc(Cl)n2)cc1	195427926	WMLTXJSIZZIIIZ-UHFFFAOYSA-N	319.748	1.883	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2ccc3[nH]ccc3c2)c1	190039761	OICCNRYUNRTTKW-UHFFFAOYSA-N	309.329	1.953	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)c1ccccc1O	198351022	ZTEMHUKRTGGZMC-UHFFFAOYSA-N	323.349	1.068	50	20	DDGD	
N#Cc1ccc(C(=O)NNS(=O)(=O)CCCCCl)cc1	190759060	XAYZDYOMBNBNAV-UHFFFAOYSA-N	315.782	1.141	50	20	DDGD	
C[C@@H]1CC(NC(=O)NNC(=O)Cc2ccncc2)C[C@@H](C)C1	83232704	KRZDZLLSLWCSKA-RYUDHWBXSA-N	304.394	1.779	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccc3c(c2)CCO3)o1	84285615	KHWACJFGLXILPM-UHFFFAOYSA-N	300.314	1.527	50	20	DDGD	
CCC1(CC)[C@@H](NC(=O)NNc2cccnn2)[C@@H](C)[C@@H]1OC	92542597	YMJYRFRQPSKPHE-WXHSDQCUSA-N	307.398	1.942	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1cccc([N+](=O)[O-])c1	254903320	UJDROKXNKDPQCP-UHFFFAOYSA-N	316.273	1.068	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NC[C@@H](c1ccco1)N1CCCC1	255381593	KKJFUBWDISVTFC-FZDNWWAKSA-N	303.362	1.977	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=S)N[C@@H](C)C2CC2)cc1	263886881	LWVBCEZNZXRILU-JTQLQIEISA-N	323.418	1.368	50	20	DDGD	
O=C(CC[C@@H]1CCOC1)NNC(=O)c1ccc2c(c1)OCCO2	267528294	JIEACWYDPDCILM-LLVKDONJSA-N	320.345	1.036	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@@H]1CCCOC1	264594582	YRGAJQNVQLJNND-NSHDSACASA-N	307.350	1.066	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNC(=O)C2CCC2)ccc1C	272799185	HGZWAWHFABLONP-UHFFFAOYSA-N	305.334	1.734	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1c(OC)cccc1OC	274768416	UANMSRGVHVHDJT-SECBINFHSA-N	316.379	1.059	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CC2(OC)CCC2)cc1	277005550	YDEABGSWMYONNW-UHFFFAOYSA-N	320.389	1.734	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncn1	275348065	YQSUCZNDMKSFLA-UHFFFAOYSA-N	300.362	1.454	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1cccnc1)NC1CCCCC1	368868840	XDTPGAOWRAJFTF-UONOGXRCSA-N	302.378	1.848	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(NC(=O)CC)cc1	277141278	QHEYITIHEBJCCR-UHFFFAOYSA-N	307.354	1.733	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1nc(SC)n2ccccc12	272643645	FBBPTKAPHRETSY-UHFFFAOYSA-N	307.379	1.362	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@H]2COC3(CCCC3)O2)n1	272599406	TUENNKBBHBLFJZ-NSHDSACASA-N	322.365	1.402	50	20	DDGD	
COCCOc1ccc(C#N)cc1NC(=O)NNC(=O)C1CC1	274108960	LANOZRFSBCVPGC-UHFFFAOYSA-N	318.333	1.146	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)NCCCC#N)cc1OC	273563944	NMCYGEAJYZFGDP-UHFFFAOYSA-N	320.349	1.342	50	20	DDGD	
CC(C)OCCNC(=O)NNC(=O)C(C)(C)c1ccccc1	273285391	LUBQFFZYNXYBCC-UHFFFAOYSA-N	307.394	1.720	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNC(=O)C2CC2)ccc1OC(C)C	274053500	LQXTXAKCOOTEGT-UHFFFAOYSA-N	319.361	1.278	50	20	DDGD	
CCCSc1nsc(NC(=O)NNC(=O)C2CCC2)n1	272874290	VKLDKXZLTVYHPM-UHFFFAOYSA-N	315.424	1.993	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc2c1OCCC2=O	376501749	RLAYMKUPIRNEFP-SECBINFHSA-N	305.334	1.851	50	20	DDGD	
COC(=O)NNC(=O)N[C@H](c1ccc(OC)cc1)C(F)(F)F	274900875	GYUGSLNRSXTLDX-SECBINFHSA-N	321.255	1.869	50	20	DDGD	
Cc1cc(OCC(=O)NNC(=O)C2CCC2)ccc1[N+](=O)[O-]	280749691	HCVYTQWECGFZEL-UHFFFAOYSA-N	307.306	1.230	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNC(=O)CNc1ccccc1OC	287075280	LJVZREDSNNPNGI-HNNXBMFYSA-N	304.350	1.194	50	20	DDGD	
CC[C@@H]1C[C@H]1NC(=O)NNC(=O)COc1ccccc1C#N	280771363	MVXSBQBDMWSJKD-ZYHUDNBSSA-N	302.334	1.066	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1	288128684	AOLYARKUNDMHND-CQSZACIVSA-N	319.405	1.266	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1C[C@@H]1c1cc(OC)ccc1OC	286442835	RVFYRASSGARZSZ-ZYHUDNBSSA-N	308.334	1.537	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2cc(C3CC3)no2)c1	281649022	CGWHBCCUXALSLA-UHFFFAOYSA-N	315.329	1.700	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@@H](OC)C1CC1	280774751	JTTKJNKUIHHRRC-LBPRGKRZSA-N	312.753	1.535	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1cnc2ccccc2c1	800835121	OPKKAPSLUDXKBE-UHFFFAOYSA-N	321.402	1.981	50	20	DDGD	
CC(C)(C)n1cnc(C(=O)NNc2ccccc2[N+](=O)[O-])n1	292612700	NAEMOJWKILFFFJ-UHFFFAOYSA-N	304.310	1.698	50	20	DDGD	
O=C(CCCNC(=O)c1ccccc1)NNC(=O)CC1CC1	294278659	VJWMLRBZFKJQLF-UHFFFAOYSA-N	303.362	1.144	50	20	DDGD	
CCn1ncnc1COC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	801220421	DAKVJVYAQWZZCU-ACAGNQJTSA-N	324.344	1.467	50	20	DDGD	
COc1ncc(C)cc1NC(=O)C(=O)NNc1ncccc1F	807300362	BBZXVEBSILVYQW-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
O=C(NCCc1cccc(F)c1)NNC(=O)[C@H]1CCCCO1	297377426	GCTNUECLKDFUHP-CYBMUJFWSA-N	309.341	1.268	50	20	DDGD	
COc1ccccc1C[C@H](C)CC(=O)NNC(=O)[C@@H]1CCCO1	292067696	DEWNVILZYBHHOM-WFASDCNBSA-N	320.389	1.590	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)CCO1	802097807	UGYARHQNRHKRIU-ZJUUUORDSA-N	321.333	1.383	50	20	DDGD	
CC(=NNC(=O)c1cc(C)[nH]n1)c1cnnn1-c1ccccc1	807975528	BAIKOSLUBUWLHL-UHFFFAOYSA-N	309.333	1.453	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)/C=C(\C)CC	294448125	SRHMTDKEMZDAAA-ZRDIBKRKSA-N	306.362	1.968	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H]2CCCO2)cnn1C1CCCCC1	294056116	PLHGOLNXBMYUER-AWEZNQCLSA-N	320.393	1.637	50	20	DDGD	
C/C(N)=C(\C#N)c1nc(-c2ccc(S(C)(=O)=O)nc2)cs1	806553626	ULPJIRCMGBETEW-NTMALXAHSA-N	320.399	1.822	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@@H]1CCN2CCCC[C@@H]12	298726254	KHWXKYKFIZBEIQ-ZJUUUORDSA-N	310.789	1.383	50	20	DDGD	
CC(=NNC(=O)c1cccn1C)c1cnnn1-c1ccccc1	807959374	RZMQOXDXOFAFBA-UHFFFAOYSA-N	308.345	1.760	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(-n2ccnc2)nn1)c1ccccn1	804952733	RIRVUJSLDOUWEP-UHFFFAOYSA-N	323.360	1.478	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@](C)(O)c2ccc(Cl)cc2)o1	815769463	IOVFABYNSFKPGY-HNNXBMFYSA-N	322.748	1.910	50	20	DDGD	
C[C@@H](CCc1cccc(F)c1)C(=O)NNC(=O)c1ccnnc1	817694065	QRAXOUWFULYLGL-NSHDSACASA-N	316.336	1.646	50	20	DDGD	
O=C(NNc1ncncc1F)c1cc2ccccc2oc1=O	817076956	BCBGFPUGWNFJPA-UHFFFAOYSA-N	300.249	1.479	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)NOC/C=C/Cl	812704809	RTXLQVPAJLHHKA-ORCRQEGFSA-N	308.725	1.838	50	20	DDGD	
CC(C)(C)n1cnc(C(=O)NN=c2cc[nH]c3ccccc23)n1	812502414	WFUQBRLLYWKOPZ-UHFFFAOYSA-N	310.361	1.760	50	20	DDGD	
Cn1cnc(C(=O)NNc2ccc(Br)c(F)c2)n1	811140317	WNKAUOSYJSADLI-UHFFFAOYSA-N	314.118	1.474	50	20	DDGD	
Cc1nn(C)c(-n2cccn2)c1C(=O)NCCCSC#N	816538652	ANJODAVQBVHSMD-UHFFFAOYSA-N	304.379	1.248	50	20	DDGD	
Cc1ccc(OCCNC(=O)NNc2ncncc2F)cc1	814268726	GZOVITFCAOPHLW-UHFFFAOYSA-N	305.313	1.629	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)[nH]1	814211777	PTGBJOQNMHCWIB-UHFFFAOYSA-N	321.720	1.530	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNc2cnnn2C)cc1OC	816770285	QKXPSIDBMBBMNL-UHFFFAOYSA-N	319.365	1.253	50	20	DDGD	
COc1cc(C(=O)NN=CC2(C)COC2)cc(OC)c1OC	814698428	DYNWXXMVTBNFPN-UHFFFAOYSA-N	308.334	1.465	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)NCCC(=O)O)c(Cl)c1	818910978	VICDDCAFIZGFHZ-UHFFFAOYSA-N	314.729	1.459	50	20	DDGD	
Cc1nn2cccnc2c1C(=O)NNC(=O)CC1CCCC1	726621728	BFDSLEKQZFXWSH-UHFFFAOYSA-N	301.350	1.379	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1c[nH]nc1-c1cccc(Cl)c1	823947205	UCAXDDGUKSKZOO-SECBINFHSA-N	308.769	1.688	50	20	DDGD	
C[C@H](C[C@@H](O)c1ccccc1)NC(=O)/C(C#N)=C\c1cnn(C)c1	491176559	QGFKKSKRWVCCFV-HKFHAACFSA-N	324.384	1.955	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)c1c[nH]c2ccccc12)C(=O)O	826584643	DQRXSTVDHLUKCD-UHFFFAOYSA-N	318.333	1.223	50	20	DDGD	
C[C@@H]1CCCN(CCNC(=O)/C(C#N)=C/c2cnn(C)c2)C1	491052209	VFNRIBRQBIAGQO-MGMWDDNKSA-N	301.394	1.175	50	20	DDGD	
C[C@@H]1C[C@@H]1c1ccc(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)o1	825681051	FNNLHHPSBOXWOY-AAXDQBDMSA-N	321.377	1.658	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(OCCC(=O)NC)cc1	729663761	IKZPLROPMJZNJT-QXMHVHEDSA-N	317.345	1.584	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNc2cccc(C(F)(F)F)n2)CCN1C	825997704	LYWQAGSTNWTVFI-RKDXNWHRSA-N	302.300	1.884	50	20	DDGD	
CCCC[C@@H]1CCCC1=NNC(=O)[C@H]1CCS(=O)(=O)C1	727255326	HWTIJLFTFSEXGM-NEPJUHHUSA-N	300.424	1.884	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2COC[C@H]2OC)cc1	491009815	KVXCQIYMIRHZHS-JVPVSYIYSA-N	316.357	1.522	50	20	DDGD	
O=C([C@@H]1CCC[C@@H]1Cc1ccccc1)N1CC[C@H](B(O)O)C1	585066966	OOOLQDOMLIOHBV-OWCLPIDISA-N	301.195	1.721	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNC(=O)CCCc1ccccc1	727741038	CYMIRRDUSJHJFX-LBPRGKRZSA-N	305.378	1.071	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1CCOc2c(F)ccc(F)c21	585042535	DTRJCRQBZXSNGY-CQSZACIVSA-N	319.116	1.258	50	20	DDGD	
CCC(CC)[C@@H]1C[C@@H](NCc2ccccc2B(O)O)CCO1	585033281	CIFZXVWNZYIFBJ-RDJZCZTQSA-N	305.227	1.440	50	20	DDGD	
C[C@@H]1CCCN(CCCCNCc2ccc(B(O)O)cc2F)C1	585015665	JNGGLEZBDACVDY-CQSZACIVSA-N	322.233	1.107	50	20	DDGD	
CCN(C(=O)c1ccc(B(O)O)cc1)[C@H]1CCc2ccccc21	585010742	YPCQIUAOIXLJCG-KRWDZBQOSA-N	309.174	1.516	50	20	DDGD	
CCN(CCSC)C(=O)NNC(=O)c1ccc(C#N)cc1	825815104	XXEVCDOOYWZNGG-UHFFFAOYSA-N	306.391	1.598	50	20	DDGD	
COc1ccc2c(c1)C[C@@H](C)CC2=NNC(=O)[C@H]1CCC(=O)N1	905489479	WCWPUDRGZFHFGS-QMTHXVAHSA-N	315.373	1.376	50	20	DDGD	
Cc1cc(C(=O)N2CC[C@H](B(O)O)C2)cc(C)c1OC(F)F	585068148	ZHGMJQBHDYQNOM-NSHDSACASA-N	313.109	1.594	50	20	DDGD	
CN(CCCCNC(=O)NNC(=O)OC(C)(C)C)C1CC1	496849105	URWVTEWJNLTGNX-UHFFFAOYSA-N	300.403	1.600	50	20	DDGD	
C[C@H](Cc1ccc(O)cc1)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	825895558	OQCZFFDVGIPUGH-JTNHKYCSSA-N	321.377	1.079	50	20	DDGD	
CCOC(=O)c1cc(NC(=O)[C@@]2(C)C[C@@H]2Br)n[nH]1	907232945	AZGGNOQIAGYRMV-CPCISQLKSA-N	316.155	1.698	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)NCC2CC2)c1OC(C)C	823804074	JXLOCEZKFDZGFO-UHFFFAOYSA-N	321.377	1.836	50	20	DDGD	
CCNC(=O)N(C)N=C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2	496002877	DDAKPCQSJQXZQT-NHYWBVRUSA-N	310.398	1.891	50	20	DDGD	
CN(CCCC(=O)NNc1nc(-c2ccccc2)no1)C(=O)O	737427779	YUOZYEZYKFMWGZ-UHFFFAOYSA-N	319.321	1.570	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCCOc1ccc(C(=O)O)cc1	737129335	JQWHMNRILOLXSS-BENRWUELSA-N	304.302	1.324	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)N(CCC(C)C)CCC(C)C	496081732	MAERHFFMFNTMSK-UHFFFAOYSA-N	323.459	1.828	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H](C)c1nc(C)no1	731543792	DDZGSRLTNBHXJM-MRVPVSSYSA-N	319.321	1.092	50	20	DDGD	
CC(=O)N(C)C1CCN(C(=O)[C@@]2(C)C[C@H]2Br)CC1	906416881	HYWILZHXSOUEGL-YPMHNXCESA-N	317.227	1.629	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)ccc(F)c1F	831866243	WLKVEFHBHXDJTR-DTWKUNHWSA-N	313.304	1.851	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNC(=O)c1cc2c(s1)CCC2	839474202	ZDOOYHPQERQTJB-JTQLQIEISA-N	324.402	1.587	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)C1=CCCCC1	495851194	QFGDGMNFBNCXCQ-UHFFFAOYSA-N	311.382	1.549	50	20	DDGD	
Cc1ccc(NCC(=O)NN=C2CCNC(=O)CC2)c(C)c1	834931388	FXRQKENYCSXALX-UHFFFAOYSA-N	302.378	1.488	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)cccc1[N+](=O)[O-]	837488046	JDKYKUVTGDZHCY-HBNTYKKESA-N	303.318	1.962	50	20	DDGD	
C=C(C)CCNC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	838661347	UXBRYJFDUOERCV-NSHDSACASA-N	309.341	1.890	50	20	DDGD	
CCCN(CCC)CC(=O)NNC(=O)c1ccc(C#N)cc1	839466196	WICCGQMQIWMXAG-UHFFFAOYSA-N	302.378	1.441	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(CC(F)F)C[C@@H](C)O	837013849	RZZUUABTARLQQG-MRVPVSSYSA-N	323.771	1.827	50	20	DDGD	
CC(C)COc1ccc([C@H](C)NCc2ccc(B(O)O)o2)cc1	585031646	WOSNZKZTVIHKNY-ZDUSSCGKSA-N	317.194	1.845	50	20	DDGD	
Cc1ccc([C@H]2CCCN(C(=O)c3cccc(B(O)O)c3)C2)cc1	584941218	GWISMRNQGPBLGY-KRWDZBQOSA-N	323.201	1.695	50	20	DDGD	
CC(C)(CC#N)CNC(=O)NNC(=O)CCc1ccccc1	838753040	AWDYZMSTPZCMGZ-UHFFFAOYSA-N	302.378	1.889	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)Nc1ccc(OC)cc1	834982798	BZPJGJUMGIQIRH-UHFFFAOYSA-N	302.338	1.771	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCC(C)CC1)c1cnccn1	734745862	QIQDFEIDHJWMNG-ZDUSSCGKSA-N	303.410	1.685	50	20	DDGD	
O=S(=O)(CCl)N1CCC([C@H](O)c2ccccc2)CC1	830598974	CWMNONPSXPRWHF-CYBMUJFWSA-N	303.811	1.958	50	20	DDGD	
COCC1(C(=O)NNc2cccc(Br)n2)CC1	837210959	AJDDALOLGCAKNB-UHFFFAOYSA-N	300.156	1.714	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)cc1F)[C@H]1COc2ccccc21	585029023	AYFGIADDQDLHFW-XHDPSFHLSA-N	315.153	1.160	50	20	DDGD	
O=C(NNc1ccccc1Br)[C@@H]1C[C@H]1[N+](=O)[O-]	839709957	VQYWYFDDHFGSPS-HZGVNTEJSA-N	300.112	1.557	50	20	DDGD	
CC(C)c1nn(C)cc1C(=O)NNc1ccc(C(=O)O)cn1	833511858	IYASQCFOBAVYPJ-UHFFFAOYSA-N	303.322	1.394	50	20	DDGD	
O=C(CNC(=O)c1ccc(O)cc1)NNc1c(F)cccc1F	735694381	NFQIZMOJEZFLFK-UHFFFAOYSA-N	321.283	1.544	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@]1(C)CCCCO1	838437058	QRGXLSCFXHEYKW-ABAIWWIYSA-N	314.382	1.071	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN(C)C1CC(C)(C)C1	839619768	WVUZFLNGVMOVAB-UHFFFAOYSA-N	317.433	1.805	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNc1cc(Cl)nc(C)n1	839693488	ZOCINKDAWGYNED-MRVPVSSYSA-N	300.746	1.471	50	20	DDGD	
CC(C)N1CCC(N2CCN(S(=O)(=O)CCl)CC2)CC1	830914513	UMAUKDPLGGZWQC-UHFFFAOYSA-N	323.890	1.003	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H](CC1CC1)NC(=O)OC(C)(C)C	910181515	BZIVIUFGTUZQBZ-JQWIXIFHSA-N	315.414	1.024	50	20	DDGD	
COc1ccc2c(c1)CCCC2=NNC(=O)N1CCOCC1	745590852	IWUFGEPTLBFYBV-UHFFFAOYSA-N	303.362	1.777	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)C(C)(C)c1ccccc1)n1ccnc1	844379546	UJTZYDYFHXPYNP-CYBMUJFWSA-N	314.389	1.959	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H](CN)C2CCCCC2)n1	841940123	OKDTYDOVIOZEKD-ZDUSSCGKSA-N	306.414	1.627	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCC(C)(C)CC#N)cc1	845256715	INASKTKASVVEGV-UHFFFAOYSA-N	318.377	1.968	50	20	DDGD	
C=C[C@H](C)ONC(=O)NNC(=O)CCc1ccc(OC)cc1	845635051	XQLNHNFQOVELSU-NSHDSACASA-N	307.350	1.464	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCCc2ccccc21	843640388	CHDSBUZMTLRJCQ-CORIIIEPSA-N	302.374	1.679	50	20	DDGD	
Cc1cc(C(=O)NNc2ccccc2F)ccc1-n1cnnn1	748057282	OJAZJXNVLMSJTD-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
O=C(NN=Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cnccn1	747751446	KVISNBHANKWFQB-UHFFFAOYSA-N	310.273	1.630	50	20	DDGD	
CCC[C@H](C)NC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	915886962	IVGBPYFLOXPMEF-LBPRGKRZSA-N	320.393	1.761	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)COC2CCOCC2)n1	748334551	JEUPVDJCHQLFSF-UHFFFAOYSA-N	300.746	1.077	50	20	DDGD	
COc1ccc(CCCC(=O)NN(C)C[C@H](C)O)cc1OC	910183166	LMDBATODYGZIJW-LBPRGKRZSA-N	310.394	1.370	50	20	DDGD	
CC(C)Cn1nccc1C=NNC(=O)c1ccc(O)c(O)c1	842532413	WDYKWGUDEWBXSC-UHFFFAOYSA-N	302.334	1.714	50	20	DDGD	
CO[C@@H](C=NNC(=O)Nc1ccc2c(c1)OCO2)[C@H]1CCOC1	841641593	YXKBYCGJOVSDSB-HZMBPMFUSA-N	321.333	1.574	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@H](c1c(F)cccc1Cl)N(C)C	910162799	KSJCBLCLEVJEPO-NOZJJQNGSA-N	317.792	1.426	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=S)NC2(C)CCC2)cc1	840704928	WHFAHSSBYWWOHX-UHFFFAOYSA-N	306.435	1.845	50	20	DDGD	
CC(C)COc1ccc(C(=O)NNC(=O)c2cc[nH]n2)cc1	918690326	XZORBGLJTOZYNT-UHFFFAOYSA-N	302.334	1.519	50	20	DDGD	
CC(C[C@H]1CCCC(=O)N1)=NNC(=O)c1ccc2c(c1)OCO2	841605181	PKJJCEKYTMGJNK-GFCCVEGCSA-N	317.345	1.580	50	20	DDGD	
Cc1nc(-c2ccc(C(=O)NNC(=O)c3ccccn3)cc2)n[nH]1	746092178	VSMCTHZNXYGIRU-UHFFFAOYSA-N	322.328	1.250	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(C(C)(F)F)cc1	843663438	YPSCHGHMVQFVAM-SKDRFNHKSA-N	312.316	1.984	50	20	DDGD	
CC[C@H](N)CNC(=O)NNC(=O)c1ccc(Cl)cc1OC	842009229	YMKNJLNIFGCRDS-VIFPVBQESA-N	314.773	1.030	50	20	DDGD	
COc1ccc(C(=O)NN(C)C[C@H](C)O)c(OC(F)F)c1	910151720	DPBDLUJAFFMQDG-QMMMGPOBSA-N	304.293	1.254	50	20	DDGD	
CC(Cc1ccc(Br)c(F)c1)=NNC(=O)C(N)=O	749853096	CEGBFESHOKGHSE-UHFFFAOYSA-N	316.130	1.108	50	20	DDGD	
CCN1C(=O)C(=NNC(=O)c2cccnc2)c2cc(C)ccc21	917023473	XLUZCNZCHOIXCF-UHFFFAOYSA-N	308.341	1.891	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@@H]1CCc2cncn2C1	844132984	LIXDWAFRLDNOSW-CQSZACIVSA-N	312.373	1.226	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)c1cc(O)cs1	746701211	IMODHTZUCDKASW-UHFFFAOYSA-N	316.342	1.105	50	20	DDGD	
C[C@H](CCCN)NC(=O)NNC(=O)Cc1ccc(Cl)cc1	841999599	MDNCYXFBQZJDHE-SNVBAGLBSA-N	312.801	1.340	50	20	DDGD	
Cc1ccnc2ccc(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)cc12	843659938	ZDPWJHVCFMYJOD-WCQYABFASA-N	313.357	1.729	50	20	DDGD	
N#Cc1ccc(NNC(=O)CCn2cncn2)cc1C(F)(F)F	746896655	OBWQYRUORKTTIX-UHFFFAOYSA-N	324.266	1.702	50	20	DDGD	
OC[C@H]1CN(Cc2ccc(OCCCCl)cc2)CC[C@H]1O	840974534	CISBUUXWHMJYHA-GDBMZVCRSA-N	313.825	1.869	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1C[C@]12CCCc1ccccc12	743339989	WFAYGQBONAWMBU-YJBOKZPZSA-N	324.384	1.773	50	20	DDGD	
CCc1oc(C=NNC(=O)[C@@H]2CCO[C@H]2C)cc1C(=O)OC	842561492	RECJZFMJOSIMLL-GXSJLCMTSA-N	308.334	1.504	50	20	DDGD	
COCCCNC(=O)NN=Cc1cc(C)n(CCOC)c1C	920833672	UKSQRSFFLZQYGB-UHFFFAOYSA-N	310.398	1.421	50	20	DDGD	
CCCCc1nc(C=NNC(=O)c2cnccn2)c(Cl)[nH]1	755633121	YUCYOWCCEMCUGR-UHFFFAOYSA-N	306.757	1.960	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@@H](c1ccccn1)C1CC1	925563690	DLUVKUSVGRZGMC-UONOGXRCSA-N	318.377	1.432	50	20	DDGD	
CC(C)Nc1ccc(C(=O)NNc2ncnc3[nH]cnc23)cn1	752805190	CSFPMHSHGYPRJA-UHFFFAOYSA-N	312.337	1.325	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21	929290835	FEFFTVTUARAIRY-KURSZUGOSA-N	318.348	1.644	50	20	DDGD	
CO[C@H](C)CS(=O)(=O)NC[C@]1(C)C[C@@H]1Br	856754165	CPEVWRNKNWFTER-VGMNWLOBSA-N	300.218	1.114	50	20	DDGD	
Cn1cc(C=NNC(=O)c2cccn2C)c(-c2cccnc2)n1	920372880	GLZCXDJHZZQDOZ-UHFFFAOYSA-N	308.345	1.585	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccn2cc(C(F)(F)F)nc2c1	854181300	ZOLRKVRJEDMGLI-UHFFFAOYSA-N	312.251	1.524	50	20	DDGD	
C[C@H](Oc1cccnc1)C(=O)NNC(=S)N[C@H](C)C1CC1	751618812	PXPXJTOLBXEZNL-ZJUUUORDSA-N	308.407	1.143	50	20	DDGD	
COC(=O)N1CCC(C(=O)NNc2cccc(Cl)n2)CC1	854603650	LCSNMXXOCMRZOD-UHFFFAOYSA-N	312.757	1.657	50	20	DDGD	
COc1cccc([C@H](O)C(=O)NNC(=S)N[C@H](C)C2CC2)c1	855098112	DNLKSGKZLVRWHB-RNCFNFMXSA-N	323.418	1.022	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1ccnn1CC1CC1	853351767	UAXYKIUYJLTXSI-UHFFFAOYSA-N	314.345	1.528	50	20	DDGD	
CC[C@@H](NC(=O)NNc1ncc(Cl)cn1)C1CCOCC1	856872987	HBJPLBAUWUUAAS-LLVKDONJSA-N	313.789	1.961	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)CCCc2ccccc2)C1	858185225	SNARRPSBEHHNBC-HDJSIYSDSA-N	305.378	1.517	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1coc(-c2ccccc2)n1	755587440	NWPRIXSVTATFHI-UHFFFAOYSA-N	312.329	1.414	50	20	DDGD	
NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1cccc(C(F)(F)F)n1	857133270	DWTBIVHWFLYBAS-BQBZGAKWSA-N	302.256	1.055	50	20	DDGD	
C[C@@H]1COC[C@@H]1NC(=O)NNc1ccc(OC(F)F)cc1	926001551	SHOKMHDWPLBSFF-KCJUWKMLSA-N	301.293	1.949	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc(C2CC2)nc1O	929433690	AAQJNFKGHPAKIQ-UHFFFAOYSA-N	300.318	1.078	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)C[C@H]2CC(=O)N2)cc1	854206617	ZQYXZTPSLZNJJA-GFCCVEGCSA-N	303.362	1.024	50	20	DDGD	
Cc1nn(C)c(Cl)c1C(=O)NNC(=O)OCC(F)(F)F	856024733	HWJFAIWTVYZWSZ-UHFFFAOYSA-N	314.651	1.315	50	20	DDGD	
CSCC1(CCNC(=O)NNC(=O)[C@H]2CCCCO2)CC1	852503928	VMRCVEVJUKBXCK-LLVKDONJSA-N	315.439	1.419	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)cc1F	853368071	BBULCJIXVZMUPL-MWLCHTKSSA-N	308.309	1.487	50	20	DDGD	
Cc1nnc2n1C[C@H](C(=O)NNc1c(F)cccc1F)CC2	750789836	WWKYFQHZYMJSDU-SECBINFHSA-N	307.304	1.570	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(C)cc(C(F)(F)F)c1	753242282	BFKQUECVUVTXIH-UHFFFAOYSA-N	305.256	1.813	50	20	DDGD	
C[C@]1(CNC(=O)CCOC[C@@H]2CCCO2)C[C@H]1Br	857397091	DBSIODAYGISOGF-DMDPSCGWSA-N	320.227	1.862	50	20	DDGD	
CCCC[C@](C)(F)C(=O)NN(C)C(=S)NCCCOC	854285574	NMQSCTQHFCSMFO-ZDUSSCGKSA-N	307.435	1.779	50	20	DDGD	
Cc1ccccc1COCC(=O)NNC(=S)NCC1CCC1	857724172	KQJHUTSKCIPOMQ-UHFFFAOYSA-N	321.446	1.807	50	20	DDGD	
Cc1cnc(C=NNC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)o1	853377721	DEMFIXGRLNXWNQ-BXUZGUMPSA-N	317.349	1.335	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C=C(C1CC1)C1CC1	854280348	QHFMBFGJVIZHBV-UHFFFAOYSA-N	311.451	1.607	50	20	DDGD	
CNC(=O)NNC(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1	858747273	DLMKSMKFTJGKKK-LBPRGKRZSA-N	310.785	1.265	50	20	DDGD	
C[C@@]1(CCC(=O)NNc2ncnc3ccsc23)CCC(=O)N1	753427850	CGILYPKEAFCHAD-AWEZNQCLSA-N	319.390	1.583	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccn1)C1(CO)CCOCC1	857514972	AQXCNGILFISVOH-UHFFFAOYSA-N	319.283	1.333	50	20	DDGD	
COc1nccc(C(=O)NNC(=O)C(C)(C)c2ccccc2)n1	932372670	DGBOZFLBVBWJJZ-UHFFFAOYSA-N	314.345	1.224	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H]1CCC(F)(F)C1	763610522	QXHUQRKAHWFCLN-SECBINFHSA-N	313.304	1.827	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNc2nc(O)c3ccccc3n2)CCC1=O	764581594	SRSOMKXCTBMKHY-ZJUUUORDSA-N	314.345	1.784	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@]1(c2ccccc2)CCCO1	932229465	HMUQGEIILYPODT-MRXNPFEDSA-N	314.345	1.185	50	20	DDGD	
COC1(C=NNC(=O)[C@@H](C)Oc2ccc(F)cc2)CCOCC1	761769387	LVRGRORFRILKHC-GFCCVEGCSA-N	324.352	1.891	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1	763438032	MTWAWOFHAWSEHC-UHFFFAOYSA-N	303.240	1.201	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1cncnc1	760622433	XPXKPAWDYDTNGK-UHFFFAOYSA-N	306.709	1.213	50	20	DDGD	
Cc1cccc(CO[C@H](C)C(=O)NNC(=O)c2cccn2C)c1	864593586	BJZWOSGGMYTKSQ-CYBMUJFWSA-N	315.373	1.700	50	20	DDGD	
CCOc1ccc([N+](=O)[O-])cc1C=NNC(=O)c1cc(C)[nH]n1	764795774	YGKCMQFEDIFGHK-UHFFFAOYSA-N	317.305	1.789	50	20	DDGD	
C[C@@H](CNS(=O)(=O)CC(C)(C)CCl)N1CCCCC1=O	867216262	KQMCEWORNSSKDO-NSHDSACASA-N	324.874	1.572	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)CC1(C)CC1	760518091	UCVODBRRLGBXCZ-UHFFFAOYSA-N	312.391	1.732	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)CSc1ccccc1O	764046050	YHXVJGVZAAXNRQ-JTQLQIEISA-N	312.391	1.304	50	20	DDGD	
CN1C(=O)COc2ccc(C(=O)NCCCSC#N)cc21	861551973	XGFJTBGXQXAGTG-UHFFFAOYSA-N	305.359	1.376	50	20	DDGD	
OB(O)c1cccc(CNc2cccc(N3CCCCC3)c2)c1	864020731	VAZVXKXJHWTENS-UHFFFAOYSA-N	310.206	1.969	50	20	DDGD	
CC(C)O[C@@H]1CC(=NNC(=O)C(=O)Nc2ccccn2)C1(C)C	764907793	CFGFNWIIQZZBEB-GFCCVEGCSA-N	318.377	1.716	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)Cc2cc(C)[nH]n2)[C@@H](C)C1	761251384	CMZAVYXNUYUEDS-CMPLNLGQSA-N	320.393	1.732	50	20	DDGD	
COCc1nocc1C(=O)NNC(=O)CCCc1ccccc1	1117704928	DUUQWDIMVJNCCV-UHFFFAOYSA-N	317.345	1.605	50	20	DDGD	
O=S(=O)(CBr)NCCC[C@@H]1CCCCO1	760619438	WLKOINJZHKHZOF-VIFPVBQESA-N	300.218	1.608	50	20	DDGD	
CSc1cc2c(cc1NC(=O)NNC(=O)C1CC1)OCCO2	764648717	CXZAFOOHYCNGMZ-UHFFFAOYSA-N	323.374	1.742	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)[C@H]1CCn2cncc2C1	764261158	LTXFRUJOKXTGPH-NSHDSACASA-N	308.345	1.532	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccnc1)c1cccc(C)c1	763191757	AEJBXYUGZDUZPR-UHFFFAOYSA-N	310.357	1.660	50	20	DDGD	
CC(=O)Nc1cccc(C=NNC(=O)Cn2nc(C)cc2C)c1	872334718	KLXUNBTVCBMLHL-UHFFFAOYSA-N	313.361	1.609	50	20	DDGD	
CC(Cc1ccc(Cl)cc1)=NNC(=O)CN1CCCC1=O	773191880	UMAJFBQGMRLSEA-UHFFFAOYSA-N	307.781	1.997	50	20	DDGD	
CC[C@@H](C)Oc1cc(C(=O)NNC(=O)c2c[nH]nc2C)ccn1	777387383	CTZOIEJERBTMSN-SECBINFHSA-N	317.349	1.365	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2c(N)cccc2[N+](=O)[O-])n1	779531536	NZRJGRFRTAYPSL-UHFFFAOYSA-N	318.293	1.041	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)c(O)n1	771594333	FOVNJRRYEKINFE-UHFFFAOYSA-N	306.253	1.900	50	20	DDGD	
COc1ccc([C@@H](OC)[C@@H](C)NC(=O)NNC(=O)C(C)C)cc1	772075029	MRBRYAOSWXGILP-RISCZKNCSA-N	323.393	1.758	50	20	DDGD	
O=C(NNc1ccccn1)c1cccc(CN2CCOCC2)c1	777468960	GNWIGIKKASFMBK-UHFFFAOYSA-N	312.373	1.671	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@@H](C)N(C)C2CC2)cc1	1116001391	ZAYZFJHJCNBZCI-LLVKDONJSA-N	320.393	1.122	50	20	DDGD	
COCCOCC(=O)NN=Cc1cn(C)nc1-c1ccccc1	872401543	ZFFDUONMVOEUQD-UHFFFAOYSA-N	316.361	1.200	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CC1CCN(CC(F)(F)F)CC1	874062038	UZAFWHSRFWRCDG-UHFFFAOYSA-N	323.359	1.844	50	20	DDGD	
COC(=O)N(C)CC(=O)NNC(=S)Nc1ccc(C)cc1C	873758573	SYXLMDIDEMJILL-UHFFFAOYSA-N	324.406	1.319	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1cncc(OC(C)C)c1	872335032	SPPSRRZJMWRALB-UHFFFAOYSA-N	315.395	1.224	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CSCc1ccc(C#N)cc1	887141879	MZYFMAKHILHGJA-UHFFFAOYSA-N	315.398	1.742	50	20	DDGD	
O=C(CCC(=O)c1ccccn1)NNC(=O)c1ccccc1F	770210617	ZTOMHZLWHCIOCB-UHFFFAOYSA-N	315.304	1.645	50	20	DDGD	
C[C@H](Cc1cccc(F)c1)C(=O)NNC(=O)C1CCOCC1	883062046	PGFQGIVHUOLDIG-LLVKDONJSA-N	308.353	1.578	50	20	DDGD	
Cc1ccc([C@H](C)NCC(=O)NNC(=O)C2CC2)cc1[N+](=O)[O-]	775550050	UQGQVPZHCHDLPT-JTQLQIEISA-N	320.349	1.111	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)[C@H]1CCc2nncn2C1	885126589	AYJMFQTXYVEJNA-JTQLQIEISA-N	305.769	1.946	50	20	DDGD	
Cc1cccnc1CCCNC(=O)NNC(=O)C1CCOCC1	883676577	QLOWQBTYHFSIJD-UHFFFAOYSA-N	320.393	1.080	50	20	DDGD	
C[C@H]1CCN(S(=O)(=O)CCCCl)C[C@@H]1n1ccnc1	881986579	NOQGLCDGJLEPFN-RYUDHWBXSA-N	305.831	1.725	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OC[C@@H]1CCS(=O)(=O)C1	788947829	AEOMAZIAQZGXQR-BPLGCGBFSA-N	321.354	1.277	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(OCCCOC)nc1	887143450	ZQCFMDWIORGQKZ-UHFFFAOYSA-N	319.361	1.061	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccc(OC)cn2)cc1	781527776	USNJXOFFZVRTLS-UHFFFAOYSA-N	301.302	1.634	50	20	DDGD	
O=C(C[C@H]1CCS(=O)(=O)C1)NNc1cc(F)ccc1F	885146060	LFPPOJCWTWNENH-MRVPVSSYSA-N	304.318	1.233	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnnn1-c1cccc(F)c1	789909858	LUKYSJVGMYGUIM-UHFFFAOYSA-N	320.328	1.151	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)C1CCCCC1)c1ccc(Cl)nc1	783560774	ZDSDENXERISZGO-LBPRGKRZSA-N	311.769	1.437	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1ccccc1	785352192	UOKHYXLUGPXOOZ-VSXLWIIGSA-N	315.329	1.083	50	20	DDGD	
COc1ccccc1SCC(=O)NN=Cc1cnc(N)nc1	781596974	OWYSVBAJMSOMHZ-UHFFFAOYSA-N	317.374	1.310	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccccc1F)[C@H]1CCCOC1	780042639	FFKZZTDXFPQQJV-MNOVXSKESA-N	309.341	1.585	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1cnn(C(C)C)c1C	787158145	RIXBDRMJTOZFOA-ZDUSSCGKSA-N	310.398	1.664	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2sc(C)nc2C)nc1	782145088	AVUOMGVDAJVPLL-UHFFFAOYSA-N	321.362	1.245	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ncncc2Cl)cc1C	782166299	PVILTYPZTXZKPH-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)NC2CCCCC2)on1	792905425	MZEKODWKXLBCLT-UHFFFAOYSA-N	308.338	1.817	50	20	DDGD	
C[C@]12CCN(CC(=O)NNC(=O)C3CC3)C[C@H]1C2(Cl)Cl	792909983	UXYZLUFITSAWEH-SKDRFNHKSA-N	320.220	1.060	50	20	DDGD	
CCc1occc1C(=O)NNC(=O)Cn1cnc2ccccc21	797701656	YHLKMPYRORUYJM-UHFFFAOYSA-N	312.329	1.653	50	20	DDGD	
CCN(C)c1ccc(C=NNC(=O)c2ccc(O)c(O)c2)cn1	794557783	OYWUUEPVPBLIOO-UHFFFAOYSA-N	314.345	1.713	50	20	DDGD	
Cn1nncc1C(=O)NNC(=S)Nc1cccc(Cl)c1	799290338	FNVOEKBJKFMBFV-UHFFFAOYSA-N	310.770	1.100	50	20	DDGD	
O=C(NC[C@H]1CCCCS1)NNc1nc2ccccn2n1	790474370	VHRWTUKQTRVBKY-SNVBAGLBSA-N	306.395	1.641	50	20	DDGD	
CCn1nc(C(=O)NNc2ccc(Cl)c(OC)c2)ccc1=O	790180993	WBFJZXSWRYXQBB-UHFFFAOYSA-N	322.752	1.682	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)CC(F)(F)F)cc2n1C	794992900	AQLNTHUDMAQIRV-UHFFFAOYSA-N	314.267	1.595	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)CCc1ccc(OC)cc1	792798590	PBFYKFBGUOZIDG-UHFFFAOYSA-N	315.373	1.980	50	20	DDGD	
Cn1c(=NNC(=O)[C@@H](O)c2ccccn2)sc2ccccc21	791313019	YPNIFYNJYJCESH-ZDUSSCGKSA-N	314.370	1.300	50	20	DDGD	
O=C(NN=Cc1ccccc1C(=O)O)c1ccc(O)c(O)c1	794556962	KRRLUOMNQLXINI-UHFFFAOYSA-N	300.270	1.560	50	20	DDGD	
CC(C)Cc1ncc(NC(=O)NNC(=O)c2ccccn2)cn1	791955738	OMOGLXQDWXNDRT-UHFFFAOYSA-N	314.349	1.537	50	20	DDGD	
Cc1ccc2c(c1)CC[C@H](C(=O)NNc1nnc(C)c(O)n1)O2	794906314	IZOPCNGKOMVGSQ-GFCCVEGCSA-N	315.333	1.031	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H]1SCCc2ccccc21	1318849981	IORSAYJWSQOSRX-GFCCVEGCSA-N	309.460	1.921	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1ncoc1C1CC1	1325149138	UKSNFOHAOKTILY-UHFFFAOYSA-N	312.289	1.754	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)nc2ccccc12	1326336809	UCPSDRYCKXTYIJ-AAEUAGOBSA-N	313.357	1.729	50	20	DDGD	
CCN(CCI)C[C@H](O)C(F)(F)F	191085636	MSUVZFREPBXYLP-LURJTMIESA-N	311.085	1.667	50	20	DDGD	
O=C(Cc1cncc(O)c1)NNC(=O)c1ccccc1Cl	1325025437	BPISEYQNYBLIBM-UHFFFAOYSA-N	305.721	1.444	50	20	DDGD	
C[C@@H](c1ccccc1)n1cc(NC(=O)NNC(=O)CCO)cn1	1326062580	LCOLCTCDQDJTLK-NSHDSACASA-N	317.349	1.028	50	20	DDGD	
Cc1cc2sc(NC(=O)NNC(=O)CCO)nc2cc1F	1322515438	ZEJQIPBHCJWDHY-UHFFFAOYSA-N	312.326	1.279	50	20	DDGD	
COC(=O)C(=O)NN=CCN(C(=O)OC(C)(C)C)C(C)(C)C	1326864712	UFHAZZNHMLNDEN-UHFFFAOYSA-N	315.370	1.297	50	20	DDGD	
COc1cccc(C[C@@H](O)C(=O)NNc2cc(Cl)ccn2)c1	1255530305	CKUZRKSFEPEWKZ-CYBMUJFWSA-N	321.764	1.790	50	20	DDGD	
C[C@H]1CCN(CCNC(=O)NNC(=O)c2ccccc2Cl)C1	1333823123	FAQHFUFXSISJBW-NSHDSACASA-N	324.812	1.626	50	20	DDGD	
Cc1conc1NC(=O)C(=O)NNc1ccc(C(C)(C)C)nn1	1338707828	LYDYUOCKQQVVDT-UHFFFAOYSA-N	318.337	1.152	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cccc(OC)c1C	1347547853	IJFQPALKDIKHAK-UHFFFAOYSA-N	321.377	1.069	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)c1O	1347792692	CJNSUUZMARCSKX-JBLDHEPKSA-N	304.346	1.598	50	20	DDGD	
O=C(N[C@@H]1Cc2cnccc2NC1=O)C1CCC(Cl)CC1	1348048873	XURXFYKCVPGPHB-QEIKUCIBSA-N	307.781	1.859	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(C(C)(C)C)nn1	1351437284	RBSLNLKXAUYDSE-UHFFFAOYSA-N	303.366	1.730	50	20	DDGD	
O=C(NNc1ccc(F)cc1)c1ccc(-c2nn[nH]n2)c(O)c1	1609559385	BCKJBTMEXGMQAI-UHFFFAOYSA-N	314.280	1.468	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)N[C@@H]1CC[C@@H]2C[C@H]2C1	1606858325	QNLUQGBJYMGAMB-DVVUODLYSA-N	314.353	1.076	50	20	DDGD	
O=C(O)CNC(=O)NN=C1CCCc2ccc([N+](=O)[O-])cc21	1608754090	FJIXTMKIPFAKCR-UHFFFAOYSA-N	306.278	1.019	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)/C=C\c2cc(C(=O)O)co2)n1	1600512152	YLVCUYYXECWDIR-WAYWQWQTSA-N	315.285	1.156	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)/C=C/c2cc(C(=O)O)co2)o1	1600341430	GELIVBRUJYFBQF-HWKANZROSA-N	304.258	1.354	50	20	DDGD	
O=C(CCCNC(=O)C1CC1)NNc1cccc(C(=O)O)c1F	1601268291	WLDMFKVBGOPFOJ-UHFFFAOYSA-N	323.324	1.273	50	20	DDGD	
COc1ccc([C@H]2C[C@@H]2C(C)=NNC(=O)NCC(=O)O)cc1	1610348348	YLNMUVWIIGJTPX-CHWSQXEVSA-N	305.334	1.558	50	20	DDGD	
CC[C@@H]1CC(=NNC(=O)[C@H]2CCCO[C@H]2c2nccn2C)CO1	1549314428	HRRDOEPAXRMWLN-HZSPNIEDSA-N	320.393	1.559	50	20	DDGD	
O=C(NCCCN1CCCCC1)NNc1cccc(C(=O)O)c1	1610690514	CJHSEDNZXZNSQZ-UHFFFAOYSA-N	320.393	1.887	50	20	DDGD	
COC(C)(C)CC=NNC(=O)[C@@H]1CCCO[C@@H]1c1nccn1C	1549313068	YJWVUGFIEQAVDC-OLZOCXBDSA-N	322.409	1.805	50	20	DDGD	
COC[C@@H](Cl)C(=O)N1CCC2(CCCN(C(C)=O)C2)CC1	1809382705	SLXXHCLWFRCPTO-CYBMUJFWSA-N	316.829	1.491	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCOC1)[C@H](F)Cl	1803231456	PEGWNZVRZWOVIJ-SVNGYHJRSA-N	318.776	1.196	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC([C@@H]2OCCC[C@@H]2N)CC1	1578100449	UVGICXPVXGEBLT-QNCSTDJMSA-N	307.394	1.175	50	20	DDGD	
CCN1CCC(CNC(=O)NNc2ncccc2C(=O)O)CC1	1589742930	WYPRPIFPEQHMOZ-UHFFFAOYSA-N	321.381	1.138	50	20	DDGD	
Cn1ccc(C(=O)N2CCCC23CN(C(=O)[C@@H](F)Cl)C3)c1	1842344963	COTLJLWVUUFXFS-LLVKDONJSA-N	313.760	1.377	50	20	DDGD	
CCC(CC)(C(=O)O)C(=O)NNC(=O)[C@H]1Cc2ccccc2O1	1589475880	NYVNRUDJUBASDI-GFCCVEGCSA-N	320.345	1.029	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1ccc(C(=O)O)c(F)c1	1596931871	GOVXDXZQOOUTED-SECBINFHSA-N	314.313	1.409	50	20	DDGD	
O=C(O)CCCCNC(=O)NNc1nc2cccnc2s1	1595043137	AZTVDTPOARBJKC-UHFFFAOYSA-N	309.351	1.572	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cncn1C)C2	1845163911	ABVRLFQGDSVJBQ-NSHDSACASA-N	324.812	1.255	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)[C@H](C(=O)O)C1CCCC1	1594698160	ZVAMFEVWCFEFFG-CQSZACIVSA-N	319.361	1.137	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@]2(C(=O)O)C[C@H]2C)ccc1F	1593882641	OEVWDRWAWALEGV-UOWDBTKRSA-N	310.281	1.166	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)C1(C(=O)O)CCCCCC1	1594675910	MUNJYSGKMPMLDT-UHFFFAOYSA-N	310.272	1.511	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@]1(C(=O)O)CCCO1	1594332557	ZKWLINMSLZIEMT-INIZCTEOSA-N	315.329	1.620	50	20	DDGD	
CO[C@@H]1C(=NNC(=O)c2ccc(C(=O)O)cc2)[C@H]2CCC[C@H]21	1776101797	YXWJVBANQGJRIW-SCRDCRAPSA-N	302.330	1.916	50	20	DDGD	
O=C(O)Cn1cc(C=NNC(=O)c2cn[nH]c2)c2ccccc21	1776093966	URBVMTGXNGJYFT-UHFFFAOYSA-N	311.301	1.213	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1cc(F)c(C(=O)O)c(F)c1	1776129359	GLINQMAXSWFMFO-YHYXMXQVSA-N	324.283	1.723	50	20	DDGD	
O=C(NNC(=O)c1ccc(Br)o1)c1ccccn1	17328924	CEJZGVKBUDYQRX-UHFFFAOYSA-N	310.107	1.512	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)COc1ccccc1	17581251	OYAFXLNUAMMAMX-UHFFFAOYSA-N	324.340	1.483	50	20	DDGD	
COC(=O)NNC(=O)c1csc(Cc2ccccc2F)n1	158685719	ZEWZLJJQLUTEKC-UHFFFAOYSA-N	309.322	1.874	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cn(CC(=O)C(C)(C)C)nn1	160691645	QRHWLUZNWUXQRJ-UHFFFAOYSA-N	323.397	1.091	50	20	DDGD	
COCCC1(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCC1	155142346	IFIRKWCKGJXSCB-UHFFFAOYSA-N	321.333	1.563	50	20	DDGD	
Cc1csc(=O)n1CCC(=O)NNc1ccc(C#N)cc1	155265719	HBTXPTFROQPVEO-UHFFFAOYSA-N	302.359	1.623	50	20	DDGD	
CC1(C)[C@@H](NC(=O)NNC(=O)c2ccccc2)[C@@H]2CCO[C@@H]21	154374339	YXNGDGZMTRGJOE-AVGNSLFASA-N	303.362	1.444	50	20	DDGD	
CNC(=O)CCCC(=O)NNc1ccc(OC(F)F)cc1	156606053	XUZSRUWNRDYNNX-UHFFFAOYSA-N	301.293	1.647	50	20	DDGD	
CNC(=O)C(C)(C)CNC(=O)c1c(C)nn(CCCl)c1C	154453617	HIKZODXDQQNLIP-UHFFFAOYSA-N	314.817	1.241	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)c2ccccc2O)c1C	154645328	TZXSEDNXCBLAPT-UHFFFAOYSA-N	316.361	1.772	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H]1CC[C@@H](CO)CC1	185861769	ZLNKMNOWBMKQRB-WQIUSWLNSA-N	300.358	1.966	50	20	DDGD	
N#CC1=CCN(C(=O)Cn2cc(Br)ccc2=O)CC1	271109034	LWBBTDYVFHHDMF-UHFFFAOYSA-N	322.162	1.293	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)CBr)C[C@H]1Br	856755268	TWQPZNXKCPQLBR-RITPCOANSA-N	321.034	1.432	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1cccc(N2CCCC2=O)c1	6991862	OWVDSHFZPINYFX-UHFFFAOYSA-N	312.329	1.216	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cncn1-c1ccc(F)cc1	9792429	RIXLNSCCHIIPIG-UHFFFAOYSA-N	305.313	1.364	50	20	DDGD	
CCNc1nc(C(=O)NNC(=O)Cc2ccc(F)cc2)cs1	176984014	ORHXRFDRFAMYBQ-UHFFFAOYSA-N	322.365	1.718	50	20	DDGD	
O=C(NNC(=O)[C@H]1COCCO1)c1ccc2ccccc2c1	57096828	HKNOSNQXZDRMNG-CQSZACIVSA-N	300.314	1.016	50	20	DDGD	
O=S(=O)(CCl)NC[C@H](c1cccs1)N1CCOCC1	104334805	HFGULKWXEXPFLX-SNVBAGLBSA-N	324.855	1.237	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)C(F)(F)C(F)F	176201957	MAYDYGMCGZYGTQ-UHFFFAOYSA-N	313.276	1.521	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNc1nc(-c2ccncc2)no1	102185640	GFSURVYEPAAOCH-UHFFFAOYSA-N	314.305	1.422	50	20	DDGD	
C=CCCOCCNC(=O)NNC(=O)c1cccc(Cl)c1	179378248	DFHJEXIWKXWBHI-UHFFFAOYSA-N	311.769	1.877	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1n[nH]c2ccccc12	106288179	DDHRJCAHUWCHFJ-UHFFFAOYSA-N	324.340	1.662	50	20	DDGD	
COc1ccnc(NNC(=O)NCCc2sc(C)nc2C)n1	108586028	VIOFCAFXKNZSIK-UHFFFAOYSA-N	322.394	1.427	50	20	DDGD	
O=C(Cc1c[nH]c2ccc(F)cc12)NNC(=O)NCC1CC1	115346273	PTJCJZWFBDIUSX-UHFFFAOYSA-N	304.325	1.590	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](c2ccccc2)N(C)C)o1	176208630	DIKHJZIWLJXCHO-AWEZNQCLSA-N	301.346	1.652	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccnn2C)c1C	63536015	HOCQTRVTODEDCS-LBPRGKRZSA-N	316.361	1.265	50	20	DDGD	
O=C(NNc1c(F)cccc1F)c1ccc2[nH]c(=O)[nH]c2c1	172446858	NJSBPJUJNKGPSX-UHFFFAOYSA-N	304.256	1.891	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)c1	1352179725	WBBBAROHDSYXCP-YNEHKIRRSA-N	305.334	1.419	50	20	DDGD	
O=C(CC[C@H]1CCOC1)NNC(=O)c1ccc2ccccc2n1	177597997	SCLRDXVSJDOACV-LBPRGKRZSA-N	313.357	1.813	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ncccn2)c(Cl)c1	120068044	LQCFGZIHNLORAJ-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
CCNC(=O)NNC(=O)c1csc(-c2ccc(F)cc2)n1	122933336	FKUCGNATGUOPEN-UHFFFAOYSA-N	308.338	1.913	50	20	DDGD	
O=C(NCCc1ccc(Cl)cc1)NNC(=O)c1ccc[nH]1	125298897	QPZDILMVYKFCHO-UHFFFAOYSA-N	306.753	1.855	50	20	DDGD	
O=C(NNc1cccc2c1CCCC2)[C@@H]1CCS(=O)(=O)C1	120305415	YQQZBPQTMXWPLI-GFCCVEGCSA-N	308.403	1.443	50	20	DDGD	
Cc1nn(C(C)(C)C)cc1C(=O)NNC(=S)N[C@@H](C)C1CC1	184397603	ZFUOSLDMBJNRMD-VIFPVBQESA-N	323.466	1.854	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCCCOC)c1ccc(F)cc1	123767431	WRMXYPCBJNOYGC-CYBMUJFWSA-N	311.357	1.686	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C1CCN(C(=O)N2CCCC2)CC1	77220611	FEHHFJQHEVMKFA-UHFFFAOYSA-N	324.425	1.108	50	20	DDGD	
CC(=O)N1CCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)CC1	78282028	GBHUHQAAXZCPJP-PJQLUOCWSA-N	300.318	1.623	50	20	DDGD	
O=C(CCc1cscn1)NNC(=O)COCc1ccccc1	78192065	XJGFKCLCCMCXOC-UHFFFAOYSA-N	319.386	1.440	50	20	DDGD	
COc1ccc(OC)c(CC(=O)NNc2cc(C)nc(C)n2)c1	129085531	XAEDNTZXISSSKP-UHFFFAOYSA-N	316.361	1.796	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cc(Cl)c2c(c1)OCO2	32258565	XBTGUSGBWGAWQE-VIFPVBQESA-N	312.709	1.009	50	20	DDGD	
Cc1ccc(-n2nc(C(=O)NNC(=O)c3ccc[nH]3)cc2C)cc1	183480340	YGZBQIKBIODGAI-UHFFFAOYSA-N	323.356	1.892	50	20	DDGD	
CCCC[C@@H](COC)NC(=O)NNC(=O)c1ccc(C#N)cc1	77350648	ZCPLUIOUGNCIMJ-AWEZNQCLSA-N	318.377	1.707	50	20	DDGD	
Cn1nnc2cc(C(=O)NNc3nnc(C4CC4)s3)ccc21	184508653	XALKOGJUQYCEEJ-UHFFFAOYSA-N	315.362	1.454	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)CCc1ccccc1F	79330687	WVBBAPUBDSZVSF-LLVKDONJSA-N	323.368	1.066	50	20	DDGD	
CCOC(=O)NNC(=O)CC[C@H]1Cc2ccccc2NC1=O	39547651	JGFXMRIOBMXEDI-NSHDSACASA-N	305.334	1.355	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@@]2(C)CCCO2)cc1	126484164	MEVYPXXYVICFEA-MRXNPFEDSA-N	305.378	1.762	50	20	DDGD	
CCc1ccccc1NC(=O)C(=O)NNc1cncc(Cl)n1	128334227	DSXPGDAAKGXHTI-UHFFFAOYSA-N	319.752	1.774	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNc1ccnc(F)c1	182541604	JNTPURSPENWZFC-SECBINFHSA-N	305.357	1.893	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1	122913346	IYYGIZQVCCSUMV-UHFFFAOYSA-N	308.338	1.856	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCc1cccs1	73117491	MJAAUWIOYXXSQF-UHFFFAOYSA-N	307.350	1.960	50	20	DDGD	
CCn1c(C)cc(C(=O)NNC(=S)NCCSC)c1C	180300566	BYBRIMUQJSORSE-UHFFFAOYSA-N	314.480	1.597	50	20	DDGD	
CCn1c(NNC(=O)c2cncc(C)c2)nc2ccccc2c1=O	79441156	CBQUWLFYPATSNN-UHFFFAOYSA-N	323.356	1.877	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCCc1cn2c(n1)CCCC2	79485338	ADEQBZYNLZLYTQ-UHFFFAOYSA-N	323.397	1.501	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)c2ccc(Cl)nc2)[nH]n1	131604723	FJVSLVUNKXZWQT-UHFFFAOYSA-N	307.741	1.485	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NNC(=O)[C@H](C)CC)cc1	42065991	KQTLZNCLTOBMNX-SNVBAGLBSA-N	300.380	1.441	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2C[C@@H]3CN(C)C[C@@H]3C2)cc(C#N)n1C	192493401	AOYKLFJPRBJPEO-UHGQHVIZSA-N	323.400	1.132	50	20	DDGD	
CCOCCOCc1cccc(NC(=O)NNC(=O)OC)c1	47604227	KSDZNGYCGKNYCC-UHFFFAOYSA-N	311.338	1.632	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cc2c(s1)CCCCCC2	190065529	TXNITELKACAOCL-UHFFFAOYSA-N	310.419	1.939	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)OC(C)(C)C)CN1CCCC1	80049257	POSBNRYXZXXKMR-LLVKDONJSA-N	300.403	1.457	50	20	DDGD	
CCO[C@H](CNC(=O)NNc1cccnn1)c1ccccc1	193722367	YKJZQCPRHNMDKJ-CYBMUJFWSA-N	301.350	1.881	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1cn(C)nc1C(C)(C)C	93872808	CRGYFXVJUBBUGM-XFXZXTDPSA-N	304.394	1.777	50	20	DDGD	
Cn1ccnc(NNC(=O)C(C)(C)Oc2ccc(F)cc2)c1=O	267232342	PYWUGOXLCXQYIB-UHFFFAOYSA-N	320.324	1.220	50	20	DDGD	
COC[C@H]1CN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)CCO1	267361051	IFGPLZWGORVKIN-YWKRCKIVSA-N	303.318	1.806	50	20	DDGD	
CCCCC(=O)N1CSC[C@H]1C(=O)NNc1cccnn1	265510991	GJECUGOTEGGQKQ-JTQLQIEISA-N	309.395	1.011	50	20	DDGD	
O=C(CC[C@@H]1CCCCO1)NNC(=O)COc1ccccc1F	264760548	NNMKSEIMIUYQRA-LBPRGKRZSA-N	324.352	1.701	50	20	DDGD	
C[C@H](OC[C@H]1CCCO1)C(=O)NNc1c(F)cccc1F	265454877	LVZUQCXEQJJLLA-VHSXEESVSA-N	300.305	1.992	50	20	DDGD	
CC(C)OC(=O)[C@H](C)CNC(=O)NNC(=O)c1ccccc1	266527239	PMAGVECVPXZWGW-LLVKDONJSA-N	307.350	1.218	50	20	DDGD	
NC(=O)N1CCC[C@H]1C(=O)NNc1ccc(C(F)(F)F)cc1	269600820	XYLARWIFVQFKLI-JTQLQIEISA-N	316.283	1.692	50	20	DDGD	
CCOC(=O)/C(C#N)=C/c1ccc(OC)cc1OCC(=O)O	265195673	IKIYACAXWKDEOC-IZZDOVSWSA-N	305.286	1.629	50	20	DDGD	
O=C(CO)NNC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	363846020	KZNOMZNMXDXMCF-RFZWMSCOSA-N	320.311	1.275	50	20	DDGD	
Cc1cnc([C@H](C)CNS(=O)(=O)CBr)s1	273513929	MPRVSRZGUPUWGM-ZCFIWIBFSA-N	313.242	1.827	50	20	DDGD	
CCSc1cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)CC)c1	274082528	REAHVAUDMKMMMG-JTQLQIEISA-N	323.418	1.931	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1CCC[C@@H]1CCO	275346373	IRFTWLBDJRVSJJ-OCCSQVGLSA-N	305.378	1.490	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N[C@H](C)[C@@H]2CCCCO2)c(C)o1	271989293	LLYBONALHWAXKY-MFKMUULPSA-N	309.366	1.798	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)N1CCCc2ccc(F)cc21	274232352	WTWUNWHNWBXBEC-UHFFFAOYSA-N	321.352	1.298	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCc2nnc(C(C)C)o2)n1	279752882	CWBBTMKTDDHOFA-UHFFFAOYSA-N	317.349	1.290	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@@H]1CCOC1	276918860	RNWVTVOWKFMUMF-NXEZZACHSA-N	312.753	1.291	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2noc3c2CCCC3)n1	279855089	UGEKOJCSGOFFRN-UHFFFAOYSA-N	300.318	1.332	50	20	DDGD	
CC1=C(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CCCO1	270115351	KSJNYMKEUSKOPG-CQSZACIVSA-N	318.329	1.058	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C[C@@](C)(O)C1CC1	270028028	CSRHNSNLSWKPCQ-QLJPJBMISA-N	324.352	1.292	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCc3nn(C)cc32)o1	374232286	SGIPUJKJPDSHFJ-SNVBAGLBSA-N	302.334	1.203	50	20	DDGD	
CC1=C(C(=O)NNc2cc(Cl)nc(N)n2)SCCO1	288758749	XDRAHVHJPKRTGT-UHFFFAOYSA-N	301.759	1.150	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H]2CCCCN2C(C)=O)c1	285640285	BKJRUTWTAIDOHN-CQSZACIVSA-N	309.341	1.678	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1ccc(C)s1	285178527	UNBUFWOZWUNRLP-LLVKDONJSA-N	309.391	1.219	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	377936857	IJLGUUGVGIWHEL-YQQAZPJKSA-N	316.401	1.972	50	20	DDGD	
CCC(CC)[C@@H](C(=O)NNc1ncccc1F)N1CCOCC1	286165354	ZMYKOECWJOMBKS-AWEZNQCLSA-N	324.400	1.801	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc2c(O)nccc2c1)[C@@H]1CCOC1	287645216	ZQKWWBIMHNEWLA-ZYHUDNBSSA-N	316.361	1.992	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)[C@H]2CC23CCS(=O)(=O)CC3)c1	287221081	RLULDHMPLXOBCY-CQSZACIVSA-N	322.430	1.961	50	20	DDGD	
CO[C@@]1(C(=O)NNC(=O)Nc2cccc(Cl)c2)CCOC1	283790590	UACVMRJMCVHSSV-ZDUSSCGKSA-N	313.741	1.298	50	20	DDGD	
CCC[C@@H](C)CC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	282947372	TXULZOLMBOIGCZ-GFCCVEGCSA-N	305.378	1.907	50	20	DDGD	
CC(C)C(=O)N[C@@H](CO)C(=O)NNc1cccc2c1CCCC2	292327991	WYSBVTDGVFWBCW-HNNXBMFYSA-N	319.405	1.142	50	20	DDGD	
CC(C)Cc1nnc(NC(=O)NNC(=O)[C@@H]2CCCO2)s1	292848269	QZYQWHCHCVWKBT-QMMMGPOBSA-N	313.383	1.068	50	20	DDGD	
Cn1c(=NNC(=O)Cn2cc(Cl)cn2)sc2ccccc21	806275011	SGUQEIVWIUVUIH-UHFFFAOYSA-N	321.793	1.722	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCCSC2)cc1C	809933397	FOSJQAPBOIIDGE-ZDUSSCGKSA-N	322.430	1.973	50	20	DDGD	
O=C(COCc1cccnc1)NNc1ncnc2ccsc12	807092721	FWFZLQVQEQHQEE-UHFFFAOYSA-N	315.358	1.746	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1nc(-c2ccco2)cs1	806974853	WLHXXCLHMMMRCO-UHFFFAOYSA-N	322.346	1.145	50	20	DDGD	
Cn1ncc(CCCNC(=O)NNc2ccccc2Cl)n1	297513668	WJOSTMSXJSBBNB-UHFFFAOYSA-N	308.773	1.727	50	20	DDGD	
N#CSCCCNC(=O)Cn1ncc2ccccc2c1=O	808026580	QTSRXHWOYWCIMR-UHFFFAOYSA-N	302.359	1.117	50	20	DDGD	
CCOc1ncc(C)cc1NC(=O)NNC(=O)[C@H]1CCCCO1	297431171	OWKRMWXRXGVJGR-GFCCVEGCSA-N	322.365	1.511	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cccc(C(C)C)n1	807372063	ZLKKIUHOJVRLCQ-UHFFFAOYSA-N	323.393	1.755	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)NC1CC(F)(F)C1	807179279	SFHFKXNSTQDUIB-UHFFFAOYSA-N	308.288	1.952	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cccc(C#N)c2)c(C2CC2)n1	812975192	DJKSMPKSZQHYHN-UHFFFAOYSA-N	309.329	1.244	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NNC(=O)c1ccnnc1	817693323	MVSJMRJXRHIOSE-AAEUAGOBSA-N	306.366	1.223	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1cc(C)c2nccn2c1	815619358	LIOMEVUVDXEIQN-UHFFFAOYSA-N	324.344	1.428	50	20	DDGD	
CC(C)c1nnc(NC(=O)CCC(=O)NN(C)C2CC2)s1	819649442	PZMQIMNASYSCIZ-UHFFFAOYSA-N	311.411	1.506	50	20	DDGD	
CC(=NNC(=O)Cc1cccnc1)c1cc([N+](=O)[O-])ccc1N	814837117	ILVNCFJVDFVECV-UHFFFAOYSA-N	313.317	1.655	50	20	DDGD	
Cn1ncc(C=NNC(=O)c2cc(Br)ccc2O)n1	814857379	JKBMEARCRNRONE-UHFFFAOYSA-N	324.138	1.047	50	20	DDGD	
CC1=NN(c2ccc(C(=O)NNc3ncncc3F)cc2)CC1	817079869	NGLXZNREPCQNRR-UHFFFAOYSA-N	314.324	1.959	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NN=C2CC(C(=O)O)C2)cc1	814747719	SJUDBLUBWYPART-NFJWQWPMSA-N	320.345	1.819	50	20	DDGD	
O=Cc1c[nH]c(C(=O)NNc2nnc(-c3ccccn3)s2)c1	816419571	TXQAOCAOTRVSAO-UHFFFAOYSA-N	314.330	1.498	50	20	DDGD	
C[C@H](CC(=O)NNc1cccc(S(C)(=O)=O)c1)n1cccn1	819468006	LSCQSUDPXGMQLN-LLVKDONJSA-N	322.390	1.381	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2cc3ccccc3o2)CO1	826131230	OBHGSUVWSPSVSW-ONGXEEELSA-N	303.318	1.554	50	20	DDGD	
CC(C)(CN1CCOCC1)C(=O)NNc1nc2ccccc2[nH]1	825213917	LIRGDXOJIADZIB-UHFFFAOYSA-N	317.393	1.364	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@@H]1[C@H]1CCCOC1	828906352	WXNTZOYRSRNAKK-QWHCGFSZSA-N	311.426	1.071	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(-n2ccnc2S)cc1	823847219	RZSDXXBAILAVQG-UHFFFAOYSA-N	306.391	1.120	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CC(C)(C)[C@@H]3COC[C@@H]32)cn1	491104312	NMHPCSJAKFLVDS-RXAFCMNPSA-N	300.362	1.210	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C[C@H](C)NC(=O)C1CCCCC1	727369106	FHIUVUJWNSUBIB-LBPRGKRZSA-N	311.426	1.655	50	20	DDGD	
CO[C@H]1CC(=NNC(=O)CNC(=O)OC(C)(C)C)C12CCC2	496403499	ADQZKOQWSXLQNV-NSHDSACASA-N	311.382	1.572	50	20	DDGD	
C[C@H](CNC(=O)NNc1ncccn1)CNC(=O)OC(C)(C)C	495859784	SHCVZAGUJQQVFP-SNVBAGLBSA-N	324.385	1.264	50	20	DDGD	
CCC1(CC)NC(=O)N(CC(=O)NN(C)c2ccccc2)C1=O	726543895	MSXPUUUGGYWUKQ-UHFFFAOYSA-N	318.377	1.265	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)/C=C/c1ccccc1Cl	727351975	UBJWPUPPQPGMFK-BQYQJAHWSA-N	302.783	1.917	50	20	DDGD	
COc1cc(C(C)=NNC(=O)CNC(=O)OC(C)(C)C)ccn1	496860505	WYJWCWBXOGWDAY-UHFFFAOYSA-N	322.365	1.455	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H](O)c1cccc(C(F)(F)F)c1	496436464	QCSKHCZSZVXLRN-VIFPVBQESA-N	306.240	1.468	50	20	DDGD	
CCc1cccc(OCC(=O)NNC(=O)c2cccc(C#N)c2)c1	728827806	YTZVPGKWNZGMQJ-UHFFFAOYSA-N	323.352	1.961	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)c1ccc(OC)c(OC)c1)C(C)C	491019566	BCJFUDOSHILIQH-GFCCVEGCSA-N	319.361	1.306	50	20	DDGD	
O=C(NCB(O)O)c1ccccc1SCc1cccs1	585055032	XKOWOKCIPVGPQA-UHFFFAOYSA-N	307.205	1.782	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(Br)ccc1C	823860630	WJTMSHSPEGLFGY-UHFFFAOYSA-N	301.184	1.717	50	20	DDGD	
CCn1cnc(C(=O)NNC(=O)CCCc2ccccc2)c1	825744710	OZGPLIOFJXHGJJ-UHFFFAOYSA-N	300.362	1.687	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cccc(Cl)n1	826448863	PITDUKPDHMDENZ-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
CC[C@H](Cc1ccccc1)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	825890662	JNOCJTFIFFLHOC-YUELXQCFSA-N	319.405	1.763	50	20	DDGD	
O=C(O)CSCC(=O)NNc1ccc([N+](=O)[O-])cc1Cl	821537518	UFWLSHAANGFVAA-UHFFFAOYSA-N	319.726	1.509	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)C1CCOCC1	829557621	MZYHXIZNZYMMPD-QWHCGFSZSA-N	324.327	1.642	50	20	DDGD	
O=C1C[C@H](C(F)(F)F)[C@@H](C(=O)NNc2cccc(F)c2)CN1	821147862	LPJKMIGLMRRTEG-UWVGGRQHSA-N	319.258	1.583	50	20	DDGD	
CCOc1cccc([C@@H](C)NCC(=O)NNC(=O)C(C)C)c1	828668961	AMUMGAJNVSTWRG-GFCCVEGCSA-N	307.394	1.539	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)C1(C(=O)C2CC2)CC1	822785914	HWHBOSHCFFKQMI-UHFFFAOYSA-N	321.402	1.380	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Cc1ccccc1O[C@@H]1CCOC1	825130323	UIHSEFUNCZBXHS-CYBMUJFWSA-N	320.389	1.590	50	20	DDGD	
CCc1nnc(C(=O)NNC(=O)CCc2ccccc2)s1	900475329	FJBHBFQJNXUQLE-UHFFFAOYSA-N	304.375	1.494	50	20	DDGD	
OB(O)c1ccccc1CN[C@H]1CCCN(C2CCCCC2)C1	585020953	CQKIHTNCTMSKBH-INIZCTEOSA-N	316.254	1.253	50	20	DDGD	
C[C@H](C(=O)NNC(=O)COc1ccccc1O)c1ccsc1	737845225	YFKKMHJHSZYNCR-JTQLQIEISA-N	320.370	1.784	50	20	DDGD	
CN(C)C(=O)NCCN(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	491173259	BYKJDNOAXQCRLR-RAXLEYEMSA-N	316.361	1.029	50	20	DDGD	
COc1ccc([C@H](C)[C@H](C)NCc2ccc(B(O)O)cc2)cc1	585026489	NSLNDFKPWXUJJF-KGLIPLIRSA-N	313.206	1.657	50	20	DDGD	
COc1ccc2c(c1)C[C@H](C)CC2=NNC(=O)c1cn(C)nn1	905487098	XCQXEBLDTLSNBY-JTQLQIEISA-N	313.361	1.540	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCC2(CC)COC2)cc1	836629852	KAFMMWVPKSVKOQ-UHFFFAOYSA-N	305.378	1.620	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cc2oc(=O)n(C)c2cc1F	839162852	CKSCGRQWXGKNBT-ZETCQYMHSA-N	324.312	1.469	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc(C#N)c(F)c1	831818108	OMHQUVQPHXWBMK-KCJUWKMLSA-N	306.297	1.275	50	20	DDGD	
Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2cccc(B(O)O)c2)C1	584949511	MMLFFEDEZMDZQL-ZBFHGGJFSA-N	323.201	1.693	50	20	DDGD	
CN1C[C@H](C(=O)NNc2cccc(Cl)c2Cl)CC1=O	838342537	YGANKNSIWXMFJK-SSDOTTSWSA-N	302.161	1.915	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCC[C@H]1CCc1ccccc1	584933042	VGPGZLBTKPYOES-SFHVURJKSA-N	323.201	1.604	50	20	DDGD	
Cc1ccc(F)c2c1C(=NNC(=O)c1cccn1C)C(=O)N2	732712297	AEKQYYOWHGYFJM-UHFFFAOYSA-N	300.293	1.559	50	20	DDGD	
CC[C@H](C)[C@@H](CNC(=O)NNC(=O)c1cccc(C#N)c1)OC	836276100	DYYSCJAXJPXDMU-SMDDNHRTSA-N	318.377	1.563	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@@H](N2CCCCC2)C1	732202124	VCBVFMYZPLUJLS-LSDHHAIUSA-N	324.469	1.129	50	20	DDGD	
O=C(NNC(=O)C1CCC(N2CCOCC2)CC1)C1CCCC1	900174916	RKAHDSUNEVWWTG-UHFFFAOYSA-N	323.437	1.215	50	20	DDGD	
C=C(CC)CNC(=O)NNC(=O)c1ccc2c(c1)OCCO2	836654629	SVCAEEPSCHIHNT-UHFFFAOYSA-N	305.334	1.368	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2cc(Cl)ccn2)[C@H]2CCCC[C@@H]2N1	831795090	XALVZIJLHRPYBX-WOPDTQHZSA-N	322.796	1.873	50	20	DDGD	
Cc1cc([C@@H]2CCCN2[C@H](C)C(=O)NNC(=O)CC(C)C)no1	732196645	MFNCYORJBBRRDS-OCCSQVGLSA-N	322.409	1.702	50	20	DDGD	
O=C(Cc1ccc(Cl)c(F)c1)NNC(=O)[C@@H]1CCCCO1	833236382	QYKPQEWQIQGPNO-LBPRGKRZSA-N	314.744	1.738	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C[C@@H]1CC[C@H]2C[C@@H]12	838121690	INHDMLIDNVTASL-ZDEQEGDKSA-N	310.394	1.548	50	20	DDGD	
CNC(=O)c1ccc(C=NNC(=O)Cc2csc(C)n2)cc1	912794731	UQKKOYYJVADHOE-UHFFFAOYSA-N	316.386	1.504	50	20	DDGD	
CCOC(=O)C1(CC(=O)NNc2ncc(F)cc2F)CCC1	837208513	LWIPMCPLMNPXNA-UHFFFAOYSA-N	313.304	1.926	50	20	DDGD	
O=C(NN=C/C=C\c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1	747752249	XCJSEFITFSUMTI-YXKIERHHSA-N	310.350	1.376	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C(c1ccccc1)c1ccccc1	919677798	GIYGYENOTLQNPZ-UHFFFAOYSA-N	316.382	1.600	50	20	DDGD	
CC(C)(C)CC(=O)N1CCC(=NNC(=O)N2CCOCC2)CC1	745591687	DWTFLSBZZWBMNZ-UHFFFAOYSA-N	324.425	1.443	50	20	DDGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)NC(N)=O)cc1	849210204	JBPNFWQFJUNJNM-QVIVLVACSA-N	301.302	1.029	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccc2nc(O)oc2c1	919817254	RYMXIPLBJQCLMM-UHFFFAOYSA-N	303.196	1.247	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cn1)[C@@H]1CCCS1(=O)=O	847753626	CCXSBNCLOCCTGA-QMMMGPOBSA-N	323.296	1.121	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=S)N[C@@H](C)CC	749758415	RQZGBQBHBFMXCS-NSHDSACASA-N	309.435	1.922	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2CCN3CCC[C@H]3C2)n1	916573325	KVQSYLDDOJYZFD-OLZOCXBDSA-N	304.398	1.346	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc2ccccc2nc1O	843972107	FTXDKFTYEWVGOO-ONGXEEELSA-N	315.329	1.126	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1ccc(Cl)cc1Cl	847600028	ZTTVHGPLOQBBLU-HTQZYQBOSA-N	302.161	1.948	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc(Cl)cc2)CCN1	841988349	QUAYNUORQRPPII-JOYOIKCWSA-N	310.785	1.425	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C(F)F)nc1	848814739	DZQLFIDIXLHDDR-SSDOTTSWSA-N	315.276	1.122	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc(C(F)(F)F)nc2)n1	914762503	HZIJFXJLSMLAIQ-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
Cc1cccnc1C(=O)NNc1nc2ccccc2c(=O)n1C	749996924	LTJDPBBBWJJWPT-UHFFFAOYSA-N	309.329	1.394	50	20	DDGD	
COCCCCC(=O)OCC(=O)NNC(=O)c1cccc(C)c1	744889011	WFXFNGIFVGPDIH-UHFFFAOYSA-N	322.361	1.116	50	20	DDGD	
O=C1NCCc2cc(NS(=O)(=O)CCCCCl)ccc21	849309640	KTHLQOWTHLMTOS-UHFFFAOYSA-N	316.810	1.733	50	20	DDGD	
COCCOCC(=O)NNc1cc(F)ccc1Br	840532151	PLKVHPRDPPWQLK-UHFFFAOYSA-N	321.146	1.694	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)c1C	912452401	UCEKMUMPZTXLCA-LEWSCRJBSA-N	302.330	1.450	50	20	DDGD	
Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843662414	SNTNFNFHOLATDY-QWRGUYRKSA-N	321.333	1.398	50	20	DDGD	
Cc1cccc2c(=O)c(C(=O)NNC(=O)c3ccccc3)c[nH]c12	741740839	HWERCTBNCWXOMF-UHFFFAOYSA-N	321.336	1.911	50	20	DDGD	
CCCCNC(=O)NNC(=O)C[C@@](O)(CC)c1ccccc1	840287664	ZUTJIGICLKBHAO-INIZCTEOSA-N	307.394	1.805	50	20	DDGD	
O=C(NNC(=S)NCC1CC1)c1ccc2ccccc2n1	849250692	BLPYZNJPIIARMG-UHFFFAOYSA-N	300.387	1.754	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CSC(C)C)cc1C	920430929	KQXWYAKAKAJIQN-UHFFFAOYSA-N	323.418	1.531	50	20	DDGD	
CCCNC(=O)NNC(=O)Cc1cc(C(C)=O)ccc1OC	921041806	PLHZFXLSPFHEJB-UHFFFAOYSA-N	307.350	1.181	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1ccn(C)n1	841605644	ROYZAOGBIIONSZ-AWEZNQCLSA-N	300.318	1.100	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H](c1ccccn1)C1CC1	925566328	GVIOHECIYJTHOE-VHRBIJSZSA-N	318.377	1.288	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@H](C)NC(=O)NNc1ncc(Cl)cn1	856915363	DAWROBOJVVUDCK-ISVAXAHUSA-N	313.789	1.960	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2cccc([N+](=O)[O-])c2)CN1C1CC1	753965741	GYZKRTYCGSHUSB-SNVBAGLBSA-N	302.334	1.937	50	20	DDGD	
CC(C)CCO[C@H](C)C(=O)NNC(=S)NCC1CCC1	855091866	HIWCPTXUWOGHIH-LLVKDONJSA-N	301.456	1.733	50	20	DDGD	
Cn1ncc(CCCNC(=O)NNc2cc(F)ccc2F)n1	922610132	UALPASHNFZRZIJ-UHFFFAOYSA-N	310.308	1.352	50	20	DDGD	
O=C(NNC(=O)C1CC(F)(F)C1)c1cc(-c2ccccc2)[nH]n1	754013858	IVONSINRUFYADN-UHFFFAOYSA-N	320.299	1.883	50	20	DDGD	
C[C@@H]1C[C@H](CCNC(=O)NNC(=O)CC(F)(F)F)CCO1	753333816	FJMLOUCWWNQIEX-RKDXNWHRSA-N	311.304	1.474	50	20	DDGD	
C=C[C@H](CO)NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	852398984	QUSWVNVZOHZBHH-CYBMUJFWSA-N	305.378	1.475	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NNc2nc3ccccn3n2)C1	857863854	DNSSZVZKOFGLAA-GXSJLCMTSA-N	311.349	1.262	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@@H]1c1ccccn1	751480346	DLOXAUABFSINOV-CYBMUJFWSA-N	304.394	1.412	50	20	DDGD	
CN(C)CC(C)(C)NC(=O)NC[C@@]1(C)C[C@H]1Br	856959984	KNBGGHVPGPHZQN-BXKDBHETSA-N	306.248	1.799	50	20	DDGD	
Cc1cccn2c(C=NNC(=O)c3ccnc(N(C)C)c3)cnc12	755709123	KEJRZUJOVFBPSM-UHFFFAOYSA-N	322.372	1.868	50	20	DDGD	
CC1=CC(=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC(C)(C)C1	920380604	LFQYNXLTKHTWEY-LLVKDONJSA-N	313.423	1.595	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21	858781297	BUWCONIJTCZGFQ-QLFBSQMISA-N	311.341	1.696	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@@H]2CCCCN(C)C2)n1	858769393	YMCYCZIZVQXPKQ-ZDUSSCGKSA-N	306.414	1.451	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc3c(nc2O)CCC3)o1	752781126	PEHBAKOKNLUJRB-UHFFFAOYSA-N	301.302	1.252	50	20	DDGD	
COC[C@H](C)CC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)OC)c1	755310861	RDUWMGUDEZYFRV-SECBINFHSA-N	311.290	1.959	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2CCc3c[nH]nc3C2)C[C@@H]1Br	857397551	KRWLLLFDVJYVFF-LJUAHTATSA-N	312.211	1.804	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNc2nc(-c3ccncc3)no2)[C@H]1C	859073396	YHNFKWOPZXTXBM-GUDRVLHUSA-N	317.349	1.634	50	20	DDGD	
COc1ccc2c(c1)CC(=NNC(=O)N1CCOCC1)CC2	752728762	YXRCKGNKFGIJNU-UHFFFAOYSA-N	303.362	1.582	50	20	DDGD	
CCC[C@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1	858121686	DVGLFLRDKNFAMI-STQMWFEESA-N	318.377	1.137	50	20	DDGD	
COc1ccc(NCC(=O)NN=Cc2cnc3ccccn23)cc1	755487334	AKHSQJXSKQMNEI-UHFFFAOYSA-N	323.356	1.905	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(OCCOC)c(Cl)c1	756166703	RVNKHXUSUPPFMX-UHFFFAOYSA-N	315.757	1.928	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc2c(C)cccc2o1	930732847	BCHHPFRIKLKYKQ-UHFFFAOYSA-N	305.334	1.722	50	20	DDGD	
COc1cc(CCC(=O)NN=c2cc[nH]c(C)c2)cc(OC)c1	862509753	TZMROGXVHNIJEK-UHFFFAOYSA-N	315.373	1.905	50	20	DDGD	
OB(O)c1ccc(CNCCC[C@H]2CC2(Cl)Cl)cc1	863890126	NBARSOVQBKGAEV-NSHDSACASA-N	302.010	1.430	50	20	DDGD	
CC[C@H](CC1CCCCC1)C(=O)NNC(=O)COCCOC	869909604	CUCFNVJJEPGQDM-CQSZACIVSA-N	314.426	1.793	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H](C)OCc2cccc(C)c2)n1	864823332	MQIFGLSJPFTXGJ-LBPRGKRZSA-N	316.361	1.842	50	20	DDGD	
CC1(C)C(=NNC(=O)CS(C)(=O)=O)C[C@@H]1c1ccccc1	863187707	QRTLZHSMIYORFS-GFCCVEGCSA-N	308.403	1.717	50	20	DDGD	
COC(=O)c1coc(C(C)=NNC(=O)c2ccccc2O)c1	766430306	KQKAXPRBAPVXHH-UHFFFAOYSA-N	302.286	1.926	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCC(=O)N1)c1nc2ccccc2s1	863144968	CNWDLHJXBALYCE-SNVBAGLBSA-N	302.359	1.415	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccnc(OC)n1)c1ccccc1	932500941	RIHJTLPIHQQIGT-LBPRGKRZSA-N	314.345	1.440	50	20	DDGD	
C[C@@H](CCCc1ccccc1)C(=O)NNC(=O)[C@H]1CCC(=O)N1	862462647	ZIKGSBBWISOVTF-GXTWGEPZSA-N	317.389	1.071	50	20	DDGD	
CC(C)Cn1[nH]c(CC(=O)N(C)CC(Cl)Cl)cc1=O	935999669	ACTUADCHCHYALL-UHFFFAOYSA-N	308.209	1.637	50	20	DDGD	
C[C@H](C(=O)NNc1ncncc1F)n1ccc(C(F)(F)F)n1	868541236	QJJXVMMYRKFEEL-ZCFIWIBFSA-N	318.234	1.535	50	20	DDGD	
C[C@H](NNC(=O)[C@]1(C)COc2ccccc2O1)C(F)(F)F	862324112	COEZNHBLJKAOOQ-UFBFGSQYSA-N	304.268	1.788	50	20	DDGD	
CCOCCCN1CCC(=NNC(=O)c2cn[nH]c2)[C@H](C)C1	863154752	KVEBDWFVBSFCAN-GFCCVEGCSA-N	307.398	1.264	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccnn1CC1CCC1	866319987	GGHYYMHBGJFRKQ-UHFFFAOYSA-N	313.361	1.082	50	20	DDGD	
CO[C@H](CS(=O)(=O)NCC(Cl)Cl)C1CCCC1	867468399	FABJHNALZSEUER-SECBINFHSA-N	304.239	1.915	50	20	DDGD	
CC(C)Sc1ccccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1	862452119	JLSYWCIXDPDECU-LLVKDONJSA-N	321.402	1.227	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1c(C(F)F)nc2n1CCCC2	868589341	FXMBHSOPJPTRBE-UHFFFAOYSA-N	312.320	1.718	50	20	DDGD	
COCc1nc(C)c(C(=O)NNc2nccnc2OC)s1	764469801	IYTAGUGEZVINAD-UHFFFAOYSA-N	309.351	1.153	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCCN1C[C@@H](C)C[C@H](C)C1	875074396	SNDRCOIKRODORU-RYUDHWBXSA-N	300.403	1.267	50	20	DDGD	
O=C(NCC1CC1)NN=Cc1ccc(C(=O)N2CCCC2)cc1	872344433	FZLKVCRSSXGCFE-UHFFFAOYSA-N	314.389	1.966	50	20	DDGD	
CC(C)(C)C(=O)NCCC(=O)NNc1nc2ccccc2[nH]1	870212251	JNFAYHPYODFNBP-UHFFFAOYSA-N	303.366	1.558	50	20	DDGD	
CCCCN1CCCC[C@@H]1CNC(=O)NN(C)C(=O)OC	875260796	ZWFXQYXWDDYASP-GFCCVEGCSA-N	300.403	1.553	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnn(Cc2ccccc2)c1	770549982	UZQICXBUYFZZTQ-UHFFFAOYSA-N	301.350	1.238	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1c(F)cccc1F	771883203	HYVSFUOONFOOLW-ZETCQYMHSA-N	300.261	1.068	50	20	DDGD	
CN(NC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F)c1ccccc1	878228800	NGXFVRIFPICZKF-MNOVXSKESA-N	315.295	1.469	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cn(C)c2ccccc12	771956834	GDYDLKYDRQQIIV-JTQLQIEISA-N	317.345	1.281	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2nccs2)c1C	770102222	JXGUDGBNJJHBID-LLVKDONJSA-N	319.386	1.988	50	20	DDGD	
C[C@H](C1CC1)n1cc(NC(=O)NNc2ncc(F)cn2)cn1	779508046	UEFYMPUYBGKEMS-MRVPVSSYSA-N	305.317	1.932	50	20	DDGD	
O=C(NNC(=O)c1nc2ccccc2s1)N[C@H]1CCSC1	872913229	XFLPFUVESPCIMC-QMMMGPOBSA-N	322.415	1.746	50	20	DDGD	
N[C@H]1C[C@@H](CNC(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)C1	877242277	MABNKYXBUKMRCO-ZTVLKNOQSA-N	301.228	1.794	50	20	DDGD	
O=C(CC1CCN(CC(F)(F)F)CC1)NNc1ncccn1	873959598	NLOJNGIWSDPFBZ-UHFFFAOYSA-N	317.315	1.584	50	20	DDGD	
CC(C)(C)[C@@H](NC(=O)NNC(=O)c1cccnn1)C(F)(F)F	879261510	LMGPSSPPLMLQBG-SECBINFHSA-N	319.287	1.398	50	20	DDGD	
CC(C)[C@@]1(C)C[C@@H]1C(=O)OCC(=O)NNC(=O)c1ccccc1	775071728	DVIBLUCVSBQJCT-CXAGYDPISA-N	318.373	1.673	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccc(OC(F)F)cn1	773791530	HKUBDXJXVIVUIU-UHFFFAOYSA-N	313.182	1.396	50	20	DDGD	
COCCc1nc(C)c(C(C)=NNC(=O)c2cnn(C)c2)s1	770604891	IESLPEFDRDLAGV-UHFFFAOYSA-N	321.406	1.528	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1cc(C(=O)O)c(C)nc1C	776723392	HMFCHOXOBSSHPZ-UHFFFAOYSA-N	322.365	1.456	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Nc1ncccc1OC	771798153	FQHMBMNDGDVDAI-UHFFFAOYSA-N	316.317	1.565	50	20	DDGD	
Cc1nccc(NC(=O)NNC(=O)Cc2ccc(Cl)cc2)n1	776494231	WOQIMIOBJKHWTC-UHFFFAOYSA-N	319.752	1.834	50	20	DDGD	
COC(=O)C[C@@]1(NC(=O)c2cccc(CCl)c2)CCOC1	1120720951	AMLOFEJLCZEMOG-HNNXBMFYSA-N	311.765	1.877	50	20	DDGD	
O=C(/C=C/CN1CCOCC1)NNc1ccc(F)cc1Cl	885136816	IUEDGGFHEMIHOJ-OWOJBTEDSA-N	313.760	1.811	50	20	DDGD	
Cc1cc(C=NNC(=O)C(=O)Nc2ccccn2)cc(Cl)n1	788717802	AYMZRQCAFPCNAW-UHFFFAOYSA-N	317.736	1.527	50	20	DDGD	
O=C1CC[C@H](CC(=O)NNc2c(F)cc(F)cc2F)CN1	885153320	GAMJECYQCHSRIY-SSDOTTSWSA-N	301.268	1.463	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)NC1CC(c2ccccc2)C1	883321741	JYWRGKYGQYQGAK-UHFFFAOYSA-N	317.389	1.690	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cscc1Cl	880977433	WFJZSKVKAIEQSF-BQBZGAKWSA-N	303.771	1.979	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=S)Nc2ccc(N(C)C)cc2)CO1	784151458	DICAKELIWGOJCY-QWRGUYRKSA-N	322.434	1.495	50	20	DDGD	
Cn1ncc2c1CCC[C@H]2NC(=O)NNc1ncncc1Cl	780973728	ISDYQYZVNDTTIZ-SNVBAGLBSA-N	321.772	1.567	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H](C)CN2C[C@@H](C)O[C@H](C)C2)sn1	785451705	USTFKLVOPSKWBG-RAIGVLPGSA-N	324.450	1.647	50	20	DDGD	
COc1ccc2[nH]c3c(c2c1)CC(=NNC(=O)C(C)(C)O)CC3	785463228	NOQSKKKDLXNNIU-UHFFFAOYSA-N	315.373	1.908	50	20	DDGD	
COc1ccc(CC(=O)NN=c2cc[nH]cc2)cc1[N+](=O)[O-]	780756566	MDZMPQOVESIJLD-UHFFFAOYSA-N	302.290	1.106	50	20	DDGD	
COc1ccc(C=NNC(=O)CNc2ccccc2OC)cn1	780194181	HHBBDNQAWOWHLM-UHFFFAOYSA-N	314.345	1.661	50	20	DDGD	
COc1cc(NNC(=O)NCc2cnn(C)c2)ccc1Cl	788895425	ABCADLOIOBLZMG-UHFFFAOYSA-N	309.757	1.908	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ccc(C#N)c(O)c1	785412901	AWHVZMIEISBNPB-UHFFFAOYSA-N	311.297	1.807	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1n[nH]c2c1CCCCC2	899995717	BTVZUHWUGIJWOW-UHFFFAOYSA-N	309.439	1.586	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cc3[nH]ccc3cc2C)n[nH]1	782090631	MOIHTSBORPXSJF-UHFFFAOYSA-N	312.333	1.974	50	20	DDGD	
Cc1oc(C(C)(C)C)cc1C(=O)NNc1nccn(C)c1=O	896031809	VRNBLZOHKSFGRQ-UHFFFAOYSA-N	304.350	1.736	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)/C=C\c1ccc(O)c(O)c1	899995852	IDHWBHPIHYJFGF-ALCCZGGFSA-N	309.391	1.405	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cn2nc(C)c(Cl)c2C)n1	794084171	BBHBFQXBMBDBLM-UHFFFAOYSA-N	321.768	1.318	50	20	DDGD	
CO[C@]1(C)CCCN([C@H](C)C(=O)NNC(=O)CC(C)C)CC1	796507844	FQTHYONECHLGBR-CZUORRHYSA-N	313.442	1.459	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1c(-c2cccnc2)noc1C	795582857	GKTKVOLTDJLSMP-UHFFFAOYSA-N	317.349	1.789	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)COc2ccc(F)cc2)o1	794181053	QPDCYGGJZLROPE-UHFFFAOYSA-N	303.249	1.130	50	20	DDGD	
N#Cc1cccc(-n2ccc(C(=O)NNc3ncc(F)cn3)n2)c1	798985194	LSHKIPJAIAZRMT-UHFFFAOYSA-N	323.291	1.430	50	20	DDGD	
C=C(CBr)COC(=O)c1ccc(S(C)(=O)=O)o1	795507863	CGECXDLAZCYSKX-UHFFFAOYSA-N	323.164	1.791	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CSc1ccc(C)cc1)C(=O)OC	790121880	YSAZHGCEKNUEEM-GFCCVEGCSA-N	324.402	1.434	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cnn(-c2ccc(F)cc2)n1	791225022	KABMGYFCGJSWGU-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
COCCOC1CCC(C(=O)NNC(=O)CC(C)C)CC1	792946564	QAELCWXRUWJCRG-UHFFFAOYSA-N	300.399	1.402	50	20	DDGD	
CS(=O)(=O)c1ccc(/C=C(/C#N)C(=O)[C@H]2CCCOC2)cc1	794885561	YPGDWNDEHGRCDQ-GFAPJHNFSA-N	319.382	1.993	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(OCCC(=O)NNc2cnccn2)c1	798339688	CTEPZEWXEAHTCV-UHFFFAOYSA-N	317.305	1.605	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC2CCSCC2)cc1	1318111553	PNJCYABFFPBNJU-UHFFFAOYSA-N	309.391	1.535	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H](C)COc1ccccc1F	1317964794	WBMULXIQZFDJOA-NSHDSACASA-N	311.357	1.970	50	20	DDGD	
C[C@]1(O)CCCN(S(=O)(=O)c2ccc(CCl)cc2)C1	394061122	YDHSRIVPYDLTIB-ZDUSSCGKSA-N	303.811	1.961	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1conc1COC)c1ccccc1	1324742665	RDLHEIGYSVQNPG-LBPRGKRZSA-N	317.345	1.776	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1ccc2c(c1)CCC2	1322141296	OZIMTVAETOPIGN-UHFFFAOYSA-N	311.341	1.648	50	20	DDGD	
CO[C@H](C=NNC(=O)c1n[nH]c2c1CCCC2)[C@@H]1CCOC1	1326100206	CUKKSPMOSBYCOW-ZWNOBZJWSA-N	306.366	1.056	50	20	DDGD	
COCc1nocc1C(=O)NNc1cc(F)c(F)c(F)c1	1324752483	SQYKAKSKVBQMCW-UHFFFAOYSA-N	301.224	1.995	50	20	DDGD	
CCON(CC)C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1331097372	JUXVQSNNVILIDV-KWQFWETISA-N	307.188	1.076	50	20	DDGD	
CC[C@H](F)C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	1336763782	RVSJMWIEUKNKGT-VIFPVBQESA-N	314.313	1.222	50	20	DDGD	
CC1CCN(CCC(=O)NN=C2CN(C(C)C)C[C@@H]2C)CC1	1252754116	HNNXPGWCVATJMW-HNNXBMFYSA-N	308.470	1.941	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCc2nccs2)cc1	1338076881	SLQKNZVBRWUXQV-UHFFFAOYSA-N	320.374	1.338	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@H](C)c1cc2ccccc2s1	1343385280	YETVYWYULBPWEI-MRVPVSSYSA-N	321.358	1.466	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1c(F)ccnc1Cl	1347048308	RBKKWLWTRYPXCA-BQBZGAKWSA-N	301.705	1.060	50	20	DDGD	
CCO[C@@H]1CCC[C@H]1NC(=O)NNc1nncc(N)c1Cl	1261285795	DDUXJMNSENJCGQ-RKDXNWHRSA-N	314.777	1.296	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@H](C(=O)O)C2CCCC2)c1Cl	1347170191	DANVKIJEXOWGBX-MRVPVSSYSA-N	313.745	1.046	50	20	DDGD	
C[C@]1(COC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)C[C@@H]1Br	1263536695	CTWJQUMLSGKBGF-MPXOCVNLSA-N	318.211	1.995	50	20	DDGD	
O=C(NC/C=C\C1CC1)NNC(=O)Nc1ccc2c(c1)OCO2	1261284148	QAFYHCDOOGAVFH-UPHRSURJSA-N	318.333	1.717	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cnc([C@@H]2CCCO2)s1	1341254553	DADNFKNNBZEHIZ-QMMMGPOBSA-N	314.436	1.512	50	20	DDGD	
O=C(O)CSCCC(=O)NNc1ccc2c(=O)[nH]ccc2c1	1608766780	FLWHLCLGPBYNJX-UHFFFAOYSA-N	321.358	1.179	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C(=O)O)c1cccc(C(F)(F)F)c1	1609770046	ZAIPHUYLWFXBNX-ZCFIWIBFSA-N	319.239	1.181	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)CCn1cc(C)cn1	1607140029	KLVGBKMQVPKJAH-UHFFFAOYSA-N	318.333	1.432	50	20	DDGD	
O=Cc1cc(C(=O)O)ccc1OS(=O)(=O)CCCCl	1602663943	MQAJNRVHLDFGAZ-UHFFFAOYSA-N	306.723	1.535	50	20	DDGD	
C[C@]1(C(=O)NC[C@H]2[C@@H](C(=O)O)C2(F)F)C[C@H]1Br	1604488599	ZHJKILWAOLFCNA-LHKPINMVSA-N	312.110	1.242	50	20	DDGD	
Cn1nc2ccccc2c1C(=O)NNc1ncccc1C(=O)O	1605553422	LBVRWCZUNVMWIC-UHFFFAOYSA-N	311.301	1.423	50	20	DDGD	
O=C(O)c1cccc(C(=O)NNC(=O)c2ccccc2Cl)n1	1602433252	LGBRKKIOVNLFSA-UHFFFAOYSA-N	319.704	1.508	50	20	DDGD	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)c1ccc2ccccc2n1	1605023385	QHGCKRXTSWXZRS-ABKXIKBNSA-N	313.313	1.107	50	20	DDGD	
O=C(O)[C@H](NS(=O)(=O)CCCCCl)C1CCCCC1	1610719296	RYSHKTWTWDZOPG-LLVKDONJSA-N	311.831	1.958	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@H]1C(=O)NN=Cc1ccc[nH]1	1549308031	AIRUBKKZNXFNOR-OLZOCXBDSA-N	301.350	1.366	50	20	DDGD	
COc1cc(NNC(=O)[C@]2(C)C[C@H](OC)CN2)ccc1Cl	1579166179	BQJXNCLYLKKJFK-HZMBPMFUSA-N	313.785	1.559	50	20	DDGD	
CCCNNC(=O)c1ccc(NC(=O)Cc2cccnc2)cc1	1577574580	HKBOQXLRPIEUFC-UHFFFAOYSA-N	312.373	1.907	50	20	DDGD	
C[Si](C)(C)OCC(=O)N1CCCC12CN(C(=O)C(F)F)C2	1844377814	WREDCABRCYNCGD-UHFFFAOYSA-N	320.412	1.306	50	20	DDGD	
O=C(c1cncs1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843363172	SIOXEMBVDOVAHI-VIFPVBQESA-N	317.773	1.495	50	20	DDGD	
CC(C)(F)CCNC(=O)NNc1cccc(-c2nn[nH]n2)c1	1589312138	AFJZXVKUKPUJPO-UHFFFAOYSA-N	307.333	1.631	50	20	DDGD	
NC[C@@H]1C[C@@H]1C(=O)NNc1ccc(Br)c(F)c1	1580323856	LOVXSACOMYXWMD-XPUUQOCRSA-N	302.147	1.626	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccc(C(=O)O)n2C)cc1	1597500949	GDHAMZTYGMOSQJ-UHFFFAOYSA-N	315.329	1.361	50	20	DDGD	
CC[C@@H](C)[C@@H](NNC(=O)c1cc(Br)c[nH]1)C(=O)O	1594921524	QUIUCIDFBOTCBB-HZGVNTEJSA-N	318.171	1.511	50	20	DDGD	
Cc1cccnc1NNC(=O)c1ccc(-c2nn[nH]n2)c(O)c1	1592263992	MLSMBXSYNYXPAR-UHFFFAOYSA-N	311.305	1.033	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNC(=O)c2scnc2C)c1	1594288553	WRAIVNFWIGVBII-UHFFFAOYSA-N	319.342	1.533	50	20	DDGD	
CC[C@H](C)[C@H](C=NNC(=O)c1cccc(-c2nn[nH]n2)c1)OC	1590401648	WNUWWDYPQOZIKD-GWCFXTLKSA-N	316.365	1.643	50	20	DDGD	
COc1ccc(C(=O)NN[C@@H](C(=O)O)c2ccccc2)cc1	1599483907	LJHWFYJCWDVHAV-CQSZACIVSA-N	300.314	1.756	50	20	DDGD	
CCO[C@H](C(=O)NNc1cccc(C(=O)O)c1C)[C@@H]1CCOC1	1596762438	RVAANACNMIMZLH-RISCZKNCSA-N	322.361	1.578	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)OCc2cccc(C(=O)O)c2)cn1	1594537274	HWYNYXKLVNWMRW-MKMNVTDBSA-N	311.297	1.769	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1CC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1590254956	YJFPUSJJTNYBQF-GHMZBOCLSA-N	315.381	1.921	50	20	DDGD	
Cc1nsc(C=NNC(=O)[C@H]2CCN2C(C)(C)C)c1C(=O)O	1776098325	HKOUKKZRVVPGLZ-SECBINFHSA-N	324.406	1.473	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)c2ccc(C(=O)O)cc2)cn1	1776099393	DRKWXGNUKLVLJA-UHFFFAOYSA-N	300.318	1.755	50	20	DDGD	
O=C(O)c1ccc2c(c1)CCCCC2=NNC(=O)c1ncon1	1776106102	QJQBWKAOKLEFID-UHFFFAOYSA-N	314.301	1.628	50	20	DDGD	
Cc1ccc(C=NNC(=O)c2nc[nH]c3ncnc2-3)cc1C(=O)O	1776105022	LPLSJHSKUKPLSQ-UHFFFAOYSA-N	324.300	1.075	50	20	DDGD	
N#C/C(=C\c1ccc(N)nc1)C(=O)Nc1ccc(C(=O)O)cc1	1776129066	HFWHBPZOXOZNNI-KPKJPENVSA-N	308.297	1.908	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)C2CCN(C(=O)N(C)C)CC2)c1	150775026	LOBVBLHYGXGLMB-UHFFFAOYSA-N	322.384	1.971	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(-c2ccccc2)on1	161275671	AVWYUXZPPIOCAR-ZDUSSCGKSA-N	315.329	1.672	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCCC(=O)NC)c1ccccc1	153219638	DVKCFRJTOVTXFI-ZDUSSCGKSA-N	305.378	1.244	50	20	DDGD	
Cc1cc(C(=O)NNc2ncnc3nc[nH]c23)ccc1[N+](=O)[O-]	156292588	FNYFYIHOLGQVEE-UHFFFAOYSA-N	313.277	1.326	50	20	DDGD	
CC1(C)[C@@H](NC(=O)NNc2ccc(Cl)nn2)[C@@H]2CCO[C@@H]21	155342211	LBQCABJZKNGOKF-SWPVVBRQSA-N	311.773	1.570	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(F)c(Cl)c1	157343203	PSERNSUXDVTSPA-UHFFFAOYSA-N	303.721	1.460	50	20	DDGD	
C=C1c2ccccc2C(=O)N1CC(=O)NNc1ccc(OC)cn1	159042806	SILXVPBLEABCNZ-UHFFFAOYSA-N	324.340	1.660	50	20	DDGD	
CC(C)(C)c1ccc(S(=O)(=O)NNC(=O)c2ccc[nH]2)cc1	7727301	GGYTUQKJNSSXNR-UHFFFAOYSA-N	321.402	1.936	50	20	DDGD	
COC(=O)N1CCC(=NNC(=O)COc2cccc(C)c2)CC1	54868121	RRJIJGWSAOWZIO-UHFFFAOYSA-N	319.361	1.708	50	20	DDGD	
CC(C)CCN(C)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	53363679	CGIOXKVDQLMZQV-UHFFFAOYSA-N	322.365	1.334	50	20	DDGD	
CSc1nc(C)c(CCC(=O)NNC(=O)C(C)C)c(C)n1	20915580	FJAQVDWBEKIKKT-UHFFFAOYSA-N	310.423	1.551	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C2(c3cccc(F)c3)CC2)cn1	117680313	DTKXRFZEYUXRQK-UHFFFAOYSA-N	302.309	1.052	50	20	DDGD	
CN1CCC[C@H]1C(=O)NNC(=O)c1cc(-c2ccccc2)on1	114073113	UWRXQSWGQXQFOP-ZDUSSCGKSA-N	314.345	1.197	50	20	DDGD	
O=C(CN(Cc1ccccc1F)C1CC1)NNC(=O)C1CC1	112975988	SCGKECMOACTGKJ-UHFFFAOYSA-N	305.353	1.348	50	20	DDGD	
NC(=O)CSCC(=O)NNc1ccccc1C(F)(F)F	118310090	NBEXMHHXVYCJGK-UHFFFAOYSA-N	307.297	1.367	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)C(F)(F)C(F)F	176362954	ZECSBSPSLVUSKI-UHFFFAOYSA-N	305.191	1.475	50	20	DDGD	
O=C(NCCCn1ccnc1)NNc1ncnc2ccsc12	178097151	ZGTYUSCUJLJADA-UHFFFAOYSA-N	317.378	1.604	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)NC2CC2)c1	53918995	GDYKZWPDOHPAQO-UHFFFAOYSA-N	305.378	1.990	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](CC)c1nc(C)cs1	66703971	CLCFZZDVCULHQK-VIFPVBQESA-N	300.384	1.270	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cc(C(C)=O)c[nH]1	67438725	QSYFPSSQJFGNNQ-UHFFFAOYSA-N	301.302	1.301	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNc2cc(C)ncn2)cc1OC	179526632	OTMXAXFZWAXIPW-FNORWQNLSA-N	314.345	1.959	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1ncnc2ccccc12	117546998	KGXOFYCBWRZPLT-SECBINFHSA-N	304.375	1.668	50	20	DDGD	
CCc1nc([C@@H](C)NC(=O)NNc2nccc(OC)n2)cs1	111895373	MRDULFHIYVZCRO-MRVPVSSYSA-N	322.394	1.891	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@H](C)N2CCC(C)CC2)n1	67707396	LBTZYFDSJIWWBO-GFCCVEGCSA-N	322.413	1.232	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H](C)c1cccnc1	67609021	ZNDUIOULONDEQD-NSHDSACASA-N	314.345	1.795	50	20	DDGD	
Cc1nn(C(F)F)c(C)c1CC(=O)NNC(=O)NC(C)C	63265247	QBEHGAHXTRBSAN-UHFFFAOYSA-N	303.313	1.176	50	20	DDGD	
COCc1ccccc1C(=O)NNC(=O)c1ccccc1OC	67436800	LTKYBQNVIUGVEQ-UHFFFAOYSA-N	314.341	1.916	50	20	DDGD	
C[S@@](=O)CCCNC(=O)NNC(=O)c1cc2ccccc2o1	176500201	VMYACERBKPNAFU-JOCHJYFZSA-N	323.374	1.145	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1ccccc1Cl	126174980	BSHCCTQFAWQOJR-UHFFFAOYSA-N	311.769	1.862	50	20	DDGD	
Cc1csc(NC(=O)NNC(=O)Cn2nc(C)cc2C)n1	125679490	DDKCRHLSVKORNV-UHFFFAOYSA-N	308.367	1.118	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)[C@H]2CC2(Cl)Cl)c1	182153182	CTAPMXVLLWMDFH-SECBINFHSA-N	323.201	1.727	50	20	DDGD	
Cc1cccc(S(=O)(=O)NNC(=O)c2cccn2C)c1F	180472649	CTHPTCROELUVSI-UHFFFAOYSA-N	311.338	1.096	50	20	DDGD	
Cc1c(CC(=O)NNc2ncc(F)cn2)cccc1[N+](=O)[O-]	123304994	PBNZCFAGQNBEQY-UHFFFAOYSA-N	305.269	1.518	50	20	DDGD	
O=C(Cc1ccoc1)NNC(=S)NCCc1cccs1	120513680	UALJTQKXKNGSIJ-UHFFFAOYSA-N	309.416	1.622	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNC(=O)COCc1ccccc1	78192208	YKQHWEADQXEWQE-ZDUSSCGKSA-N	308.378	1.556	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)c1ccccn1	78330107	PQMDBXLIYQKEJO-UHFFFAOYSA-N	304.737	1.879	50	20	DDGD	
CC1(C)CCC[C@H]1NC(=O)NNc1ccc(-n2cccn2)nn1	79133335	STANCRPLUUPZPN-LLVKDONJSA-N	315.381	1.867	50	20	DDGD	
COc1cc(F)cc(NNC(=O)Cn2cc(C3CC3)nn2)c1	134241065	ZNOZVSBSUMEFET-UHFFFAOYSA-N	305.313	1.447	50	20	DDGD	
C[C@H](C(=O)NNc1c(Cl)cccc1Cl)S(C)(=O)=O	133006534	DJQLPOXUAGOGDY-ZCFIWIBFSA-N	311.190	1.870	50	20	DDGD	
COc1ccc(-c2cc(C(=O)NNC(=O)N(C)C)[nH]n2)cc1	194472076	SDSPUIGGFWSHBK-UHFFFAOYSA-N	303.322	1.001	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)C1CCC(O)CC1	194226506	CCCFWDNDYKTEKU-UHFFFAOYSA-N	303.322	1.126	50	20	DDGD	
N#CCOc1ccccc1C(=O)NNC(=O)CC1CCCC1	195205274	SVBKRTDTHHJAEM-UHFFFAOYSA-N	301.346	1.930	50	20	DDGD	
O=C(CC1CCSCC1)NNC(=S)NCC1CCC1	135459871	AZOQYVWTGBNMQH-UHFFFAOYSA-N	301.481	1.815	50	20	DDGD	
CC(C)n1nccc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	130857073	WOYSIUSVZOYJHK-UHFFFAOYSA-N	317.305	1.447	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNC(=O)CCc2ccccc2)C1	131454988	WCNGIOZRILXSKR-CQSZACIVSA-N	317.389	1.025	50	20	DDGD	
Cn1cc(Cl)cc1C(=O)NNc1nc2ccccc2c(=O)[nH]1	137162453	IUKZUYAUBKQNAQ-UHFFFAOYSA-N	317.736	1.672	50	20	DDGD	
C=C[C@@](C)(CC)C(=O)NNC(=O)[C@H]1COc2ccccc2O1	134857141	NNHLXIOWJHPBIY-CJNGLKHVSA-N	304.346	1.576	50	20	DDGD	
O=C(NNc1ccncc1)Nc1ccc(N2CCOCC2)cn1	194888678	GPCVXXMQRWKPOD-UHFFFAOYSA-N	314.349	1.462	50	20	DDGD	
COCCN1CCC(NC(=O)NNc2ccc(F)cc2)CC1	140172380	AGDHVBCHSUMOEP-UHFFFAOYSA-N	310.373	1.563	50	20	DDGD	
C[C@@H](Cc1ccc(O)cc1)NC(=O)NNC(=O)c1ccc[nH]1	98029321	OFMFMKCQJGHEDE-JTQLQIEISA-N	302.334	1.296	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2ccc[nH]2)cc1F	96991777	MLNKFUZTRZIJGN-UHFFFAOYSA-N	305.309	1.556	50	20	DDGD	
CCNS(=O)(=O)[C@H]1CCN(C[C@H](C)CBr)C1	248787058	XLUCTWAHMQLBQB-ZJUUUORDSA-N	313.261	1.031	50	20	DDGD	
COc1cc(C=NNC(=O)c2cnccn2)ccc1OC(C)=O	254408200	NTELXUSQJCJBJN-UHFFFAOYSA-N	314.301	1.174	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N(C)CCCn1ccnc1	268973497	OCKKBUNRGLHCJR-UHFFFAOYSA-N	315.377	1.568	50	20	DDGD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NNc1nccnc1Cl	265152395	KUAQCZGXVOKZCN-IUCAKERBSA-N	300.746	1.157	50	20	DDGD	
CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NNC(=O)c1cnn(C)c1	266321190	PWYGELQLTXZNKE-XBFCOCLRSA-N	322.409	1.555	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)c2ccccc2OC)C[C@@H](C)O1	264870018	RAXCJLVCCTWACK-NEPJUHHUSA-N	321.377	1.549	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNc1ccc(Cl)nn1	265536052	QOJDSWDNAHPEFO-UHFFFAOYSA-N	315.761	1.488	50	20	DDGD	
CC(=O)NC1CCC(NC(=O)NNc2nc(C)cc(C)n2)CC1	263642734	AIAUMWJLOLBVFD-UHFFFAOYSA-N	320.397	1.167	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)NC2CCCC2)c(F)c1	269712428	ODNSOYVWPSVVJC-UHFFFAOYSA-N	308.357	1.778	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)c2cccc(OC)c2O)O1	268220591	JSSNWLLHQDSDSZ-JOYOIKCWSA-N	308.334	1.119	50	20	DDGD	
O=C(NNc1ncccn1)NC1CC(OCc2ccccc2)C1	364156181	BUWFRVMTIDVWOR-UHFFFAOYSA-N	313.361	1.851	50	20	DDGD	
CCN(CC)C(=O)CCCNC(=O)NNc1cccc(OC)n1	272413008	LYZUIFZLXVKRCF-UHFFFAOYSA-N	323.397	1.365	50	20	DDGD	
COCCOCCCNC(=O)/C(C#N)=C\c1ccc(O)cc1	274997232	LKGJOILAZXGNRI-KAMYIIQDSA-N	304.346	1.468	50	20	DDGD	
N#Cc1ccc(Cl)c(NC(=O)C(=O)NNC(=O)CC2CC2)c1	274064743	MFLYBIHRLJCPDC-UHFFFAOYSA-N	320.736	1.098	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1	364271029	VQNJREJAVKTWGA-OLZOCXBDSA-N	322.384	1.623	50	20	DDGD	
CC1(C)CN(S(=O)(=O)CBr)[C@H]1[C@@H]1CCCO1	367729501	UPSDJEHFEHUVPC-IUCAKERBSA-N	312.229	1.558	50	20	DDGD	
COCCCNC(=O)NNC(=O)/C=C/c1ccc2[nH]ccc2c1	270790212	GMLDOTRQVSFDLV-GQCTYLIASA-N	316.361	1.548	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1nc(C(C)(C)C)ns1	273414749	QNKATOBTXWMASH-UHFFFAOYSA-N	322.394	1.641	50	20	DDGD	
CN(C)CCOc1cc(C(=O)NN(C)c2ccccc2)ccn1	272670674	KKTFGUXTLORVSL-UHFFFAOYSA-N	314.389	1.803	50	20	DDGD	
COc1cc(CCNS(=O)(=O)CBr)ccc1C	272859540	WZXWVDXSMQWLPE-UHFFFAOYSA-N	322.224	1.818	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)n1	371099394	MGHAVDCMHDHZOF-YUSALJHKSA-N	321.381	1.315	50	20	DDGD	
COC(=O)[C@H]1COCCN1C(=O)[C@H](Br)C(C)(C)C	372102146	LOEHJWKFDUAQAN-BDAKNGLRSA-N	322.199	1.196	50	20	DDGD	
O=C(NNc1ncccc1F)c1ccc(N2CCOCC2)cc1	285799330	AJDAVMNARPAAGY-UHFFFAOYSA-N	316.336	1.814	50	20	DDGD	
CO[C@H](CNC(=O)OC(C)(C)C)C(=O)NNc1ccccc1	289707478	IXTQYLSBHCXDHX-GFCCVEGCSA-N	309.366	1.669	50	20	DDGD	
CS(=O)(=O)C1(CNC(=O)/C(C#N)=C\c2ccc(F)cc2)CC1	280891764	YDAQLYUTHXPVGR-WQLSENKSSA-N	322.361	1.426	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CCCc3n[nH]cc32)cc(C#N)n1C	280244411	YSZDCNOPXZJMTC-AWNIVKPZSA-N	320.356	1.815	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(C(=O)OC)c(OC)c1	280537130	PLUJWUWVPLEHAW-UHFFFAOYSA-N	324.337	1.180	50	20	DDGD	
COC(=O)N(C)NC(=O)Cc1cccc(OCC(F)(F)F)c1	286307036	KGEJIZAMGOGCNJ-UHFFFAOYSA-N	320.267	1.900	50	20	DDGD	
CCCCN(C)C[C@H](C)NC(=O)NNc1nccc(OC)n1	291032711	XKRPFUCYIDKYAO-NSHDSACASA-N	310.402	1.232	50	20	DDGD	
Cc1nc(C(C)C)oc1C(=O)NNC(=O)NCC(F)(F)F	292138474	HSNYGMNSVLCVDF-UHFFFAOYSA-N	308.260	1.613	50	20	DDGD	
Cc1cc2ccc(C(=O)NNc3ccnc(N(C)C)n3)cn2c1	806902343	VTDVNIPFKSIDBE-UHFFFAOYSA-N	310.361	1.861	50	20	DDGD	
COc1ccccc1CC(=O)NN=C(C)c1cn(C)c(C)n1	800811135	IRKJGKREXQEAJU-UHFFFAOYSA-N	300.362	1.820	50	20	DDGD	
CCn1cc([C@@H](C)NC(=O)NNc2nc3ccccn3n2)cn1	297317947	AYVLRNDIYGSZQT-SNVBAGLBSA-N	314.353	1.333	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)COCC1CC1	298498640	MNRIHVLUEMBLLL-UHFFFAOYSA-N	322.361	1.038	50	20	DDGD	
C[C@H](Cc1ccccc1F)NC(=O)NNC(=O)[C@@H]1CCCCO1	296365211	OARXBEYKZWSNBA-RISCZKNCSA-N	323.368	1.656	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H](C)c1ccc(C)o1	807370649	QASRRUKYFAAZSR-LLVKDONJSA-N	312.366	1.628	50	20	DDGD	
N#Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)cc1Cl	296108683	BFSAZNRLAPXGQI-LBPRGKRZSA-N	322.752	1.933	50	20	DDGD	
O=C(NNC(=O)C1=COCC1)Nc1ccc(OC(F)F)cc1	802044250	KZEDURIDICDMHK-UHFFFAOYSA-N	313.260	1.745	50	20	DDGD	
O=C(NNC(=O)[C@H](O)CCc1ccccc1)Nc1ccccc1	801985126	VAVSGSWAQAQUJJ-OAHLLOKOSA-N	313.357	1.833	50	20	DDGD	
Cc1nnc2ccc(C(=O)NNC(=O)CC3CCCC3)cn12	299600396	RYAXIVWDOVCMGH-UHFFFAOYSA-N	301.350	1.379	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H](O)CCSC	808027936	APFITLYRBBTDGV-JTQLQIEISA-N	316.354	1.169	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1nc2cccnc2s1	801230002	UVDGVELDGCODHY-UHFFFAOYSA-N	311.330	1.491	50	20	DDGD	
COc1cc(C)cc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1O	293828186	FXCRTWPGPPODMB-ONGXEEELSA-N	308.334	1.038	50	20	DDGD	
Cn1cnc(-c2ccc(C(=O)NNc3ncccc3F)cc2)n1	804213127	GTSWPQUJAYDURF-UHFFFAOYSA-N	312.308	1.773	50	20	DDGD	
Nc1nc2c(s1)C(=NNC(=O)c1ccccc1O)CCC2	814695047	KTCPRIARPDRZBE-UHFFFAOYSA-N	302.359	1.901	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1C#N)c1csc(N)n1	812431225	BVQYOIUXIBKYJD-UHFFFAOYSA-N	315.358	1.516	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H](F)C(F)(F)F)cc1	816596974	YWJBUYVAYGOQBJ-MRVPVSSYSA-N	309.219	1.748	50	20	DDGD	
Cc1cc(NNC(=O)COc2cc(F)cc(F)c2)nc(C)n1	810422532	QZASEXMNKUNNDJ-UHFFFAOYSA-N	308.288	1.894	50	20	DDGD	
CCC(CC)(CNC(=O)NNc1nc2ccccn2n1)C(=O)O	818628261	SWMPULCTDMXEFU-UHFFFAOYSA-N	320.353	1.246	50	20	DDGD	
CC(=O)NCc1ccc(NC(=O)NNc2ncncc2F)cc1	814636834	OQWUEDUYTUGNIJ-UHFFFAOYSA-N	318.312	1.400	50	20	DDGD	
COc1ncc(C=NNC(=O)COCc2ccccc2)s1	812227045	ZIJYAXCSQZRRLA-UHFFFAOYSA-N	305.359	1.819	50	20	DDGD	
CNC(=O)NCCC(=O)NNc1ccc(Cl)c(OC)c1	816524622	MEUFBUNKWMVEHX-UHFFFAOYSA-N	300.746	1.111	50	20	DDGD	
COC(=O)c1ccccc1CCC(=O)NNc1ncncc1F	817067851	QZNKRZKYPJGRQH-UHFFFAOYSA-N	318.308	1.478	50	20	DDGD	
C[C@@H](C(=O)NNc1nc[nH]n1)c1ccc(Br)s1	816632763	XKLJESAGBPGJQO-RXMQYKEDSA-N	316.184	1.876	50	20	DDGD	
O=C(COc1ccccc1F)NN=Cc1c[nH]c(C(=O)O)c1	814722514	COYGPDJCDJYCKH-UHFFFAOYSA-N	305.265	1.381	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N(C)C[C@@H]1CCCN1C	817159031	GHBKVCAKPZDRGM-LBPRGKRZSA-N	320.393	1.076	50	20	DDGD	
CCOc1ccc(NNC(=O)C2(C(=O)NC3CC3)CCC2)cc1	817890177	SWTSRIWRBKNDQK-UHFFFAOYSA-N	317.389	1.977	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1ccc(N2CCCC2)nc1	727096658	TUJVVMIXMNQRNX-UHFFFAOYSA-N	311.345	1.152	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1nc2c(s1)CCC2(C)C	817319671	STZILUAJXAHOGU-UHFFFAOYSA-N	311.411	1.081	50	20	DDGD	
CN(CCNC(=O)NNC(=O)CC(F)(F)F)C1CCCC1	729622628	RGYPMLKANFFSNL-UHFFFAOYSA-N	310.320	1.144	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@H](C(C)C)[C@@H](O)c1ccccc1	829634336	FRBGOONVKKMDMD-CVEARBPZSA-N	321.421	1.138	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C/c1ccc(O[C@H](C)C(=O)OC)cc1	490725785	KUPIOIJJYWYXQI-HLVNSREUSA-N	314.341	1.836	50	20	DDGD	
C[C@H](Oc1cccc2ccccc12)C(=O)NN(C)[C@H](C)CO	823929140	VJJFXVKDTYJMDG-OLZOCXBDSA-N	302.374	1.951	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)O1	825182889	MDALYTPNUNMULZ-NWDGAFQWSA-N	302.338	1.267	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CCc2cc(C)on2)ccc1F	821880757	POTMMQPYDJGPKQ-UHFFFAOYSA-N	321.308	1.985	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNC(=S)NCCc1cccs1	820168536	CKYXQSZSTNVUIJ-NSHDSACASA-N	315.464	1.601	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(C(=O)NCC(C)C)cc1	494363609	LAMQRVGOOGJKLT-UHFFFAOYSA-N	322.365	1.855	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C(C)(C)C)N(C)C(=O)OC(C)(C)C	822253169	UELHAXYMCIVRPO-JTQLQIEISA-N	315.414	1.825	50	20	DDGD	
CC(=NNC(=O)CC(C)C)c1cccc(NS(C)(=O)=O)c1	729817296	XWGFDIKGISDNPO-UHFFFAOYSA-N	311.407	1.944	50	20	DDGD	
Cc1ncsc1/C=C\C(=O)NNc1nc2ccccn2n1	492944169	CEDQICANMGEGBO-WAYWQWQTSA-N	300.347	1.651	50	20	DDGD	
O=C(O)CSCC(=O)NNc1ccc(C(F)(F)F)cc1	821537079	LAXVIHOWVRKEAW-UHFFFAOYSA-N	308.281	1.966	50	20	DDGD	
CCN(CC(=O)NNC(=O)C(C)C)Cc1c(F)cccc1F	827641006	FMXSWYOFMPSLNX-UHFFFAOYSA-N	313.348	1.590	50	20	DDGD	
C[C@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(C)(C)CN(C)C	491050787	QTFQFLLMLNEXQX-OBTCNRAFSA-N	303.410	1.420	50	20	DDGD	
Cc1ccc(F)c2c1C(=NNC(=O)NCC(F)(F)F)C(=O)N2	732712390	FJOKDHLPTBYEDJ-UHFFFAOYSA-N	318.230	1.652	50	20	DDGD	
Cn1ncc(C2CC2)c1CNC(=O)NNc1ncc(F)cc1F	822388208	VWNWRBOMEWMMDQ-UHFFFAOYSA-N	322.319	1.797	50	20	DDGD	
CCC(C)(C)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C	491550523	RKVXUJHUKYMAND-UHFFFAOYSA-N	316.402	1.278	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCC1=O	824866080	KFKOQXAOLDESOU-GXSJLCMTSA-N	314.349	1.315	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@]1(C)CC(C)=NO1)c1ccccc1	903269448	YJDMRVATFSESIJ-XJKSGUPXSA-N	303.362	1.883	50	20	DDGD	
C[C@H](C=NNC(=O)c1ncccn1)CNC(=O)OC(C)(C)C	496883241	LHXNLZFYGFDVKK-JTQLQIEISA-N	307.354	1.353	50	20	DDGD	
CCc1ccc([C@H](C)NCc2ccc(B(O)O)cc2F)cc1	585013970	DUYIDZGRJWSBGS-LBPRGKRZSA-N	301.170	1.919	50	20	DDGD	
Cc1ccc(C=NNC(=O)CCNC(=O)OC(C)(C)C)cn1	495321845	JEVNWXKVWKOEAR-UHFFFAOYSA-N	306.366	1.755	50	20	DDGD	
Cc1cc(C)n2nc(NC(=O)NNC(=O)OC(C)(C)C)nc2n1	490990517	OHOGGRDIZNSCAN-UHFFFAOYSA-N	321.341	1.302	50	20	DDGD	
COCCOC1CCN(C(=O)[C@@]2(C)C[C@@H]2Br)CC1	906722600	IXOUMVBTCISTRL-AAEUAGOBSA-N	320.227	1.814	50	20	DDGD	
Cc1cnn(C)c1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	839470741	QGPJFNGQPJPWPB-JTQLQIEISA-N	320.324	1.096	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)c1cccc(OCC(=O)O)c1	736428555	KGTNLYNPBSYNSU-UHFFFAOYSA-N	308.334	1.347	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2nn(C)cc2C)c1	839457444	TWGLSMIBEGXWBF-UHFFFAOYSA-N	316.361	1.185	50	20	DDGD	
C[C@@H](N)C[C@@H](C)NC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	831212420	PMSPRMQHALQNEE-GHMZBOCLSA-N	322.413	1.214	50	20	DDGD	
CC/C=C/CNC(=O)NNC(=O)c1cc(OC)cc(OC)c1	836574450	YZEIIKYGLJEQJE-AATRIKPKSA-N	307.350	1.614	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	838527346	PQRAZIOQQXRIBY-WCQGTBRESA-N	324.331	1.944	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1csc(C)c1	834937511	OPYONSLLXOZORM-JTQLQIEISA-N	300.405	1.331	50	20	DDGD	
Cc1ccc(F)c(CCNC(=O)NNC(=O)[C@H]2CCCCO2)c1	836619695	OYMYZOQLVBHVJT-CQSZACIVSA-N	323.368	1.576	50	20	DDGD	
CO[C@H](C1CC1)[C@@H](C)NC(=O)NNc1nc2ccccn2n1	838700989	LIFHCPMCQLVGEI-SKDRFNHKSA-N	304.354	1.169	50	20	DDGD	
COc1ccc(NCC(=O)NN=C2C[C@H](C)n3ccnc32)cc1	834920566	MHZZGJKTGXUWGC-NSHDSACASA-N	313.361	1.789	50	20	DDGD	
CCCN1C[C@H](C(=O)NNc2cc(F)c(F)c(F)c2)CC1=O	839696297	QENHNBAWSLMDDR-MRVPVSSYSA-N	315.295	1.806	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1)C1CCC1	732765737	IZUUNQCZCXTOTK-UONOGXRCSA-N	321.421	1.363	50	20	DDGD	
CN1C[C@@H](NC(=O)NNc2cccc(Cl)c2Cl)CC1=O	838505685	GITGGOHTYZADMP-ZETCQYMHSA-N	317.176	1.850	50	20	DDGD	
Cc1cc(F)c2c(c1)C(=NNC(=O)[C@H]1CCCCO1)C(=O)N2	834988627	LKJXMVWSTKAEAM-LLVKDONJSA-N	305.309	1.476	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1csc(C)c1	834932219	GEBVTTMSSJVHNH-NSHDSACASA-N	309.435	1.865	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1nnc(C(F)F)s1	831362826	NOQGURNSWOSHSX-RFZPGFLSSA-N	321.309	1.053	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCCN(C)OC)cc1	912160940	ITDKLUMZPLJGMO-SDNWHVSQSA-N	303.362	1.602	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)C1CC(O)(c2cccc(Cl)c2)C1	910185027	WXRCRLRIHNTIKU-RWWNRMGGSA-N	312.797	1.281	50	20	DDGD	
COc1ccc(-c2ncc(C(=O)NN(C)C[C@H](C)O)s2)cc1	910162322	DKPAKPVGXCHCHG-JTQLQIEISA-N	321.402	1.776	50	20	DDGD	
COc1ccccc1NCC(=O)NN=Cc1c(C)n[nH]c1C	915937264	MGPIRBWGKNDMOC-UHFFFAOYSA-N	301.350	1.597	50	20	DDGD	
C[S@](=O)c1ccc(C(=O)NNC(=S)NC(C)(C)C)cc1	849210691	IPJDZFBIXIDBQP-FQEVSTJZSA-N	313.448	1.331	50	20	DDGD	
Cc1ccccc1NCCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843972648	HIQJLWQJYDGYGZ-CHWSQXEVSA-N	305.378	1.369	50	20	DDGD	
CCC(=NNC(=O)C(=O)Nc1ccc(C)cc1)[C@@H]1CCOC1	741838844	WILOCEXUBFJPAL-GFCCVEGCSA-N	303.362	1.852	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)CCC1Cc2ccccc2C1	844649977	FQGDLKUYVAUYSS-LBPRGKRZSA-N	324.446	1.788	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C[C@@H](OC)[C@H]2CCOC2)c1	841611281	ZQLQCYUEBALODZ-XHDPSFHLSA-N	322.361	1.471	50	20	DDGD	
CO[C@H](C=NNC(=O)COc1ccc(F)cc1)[C@@H]1CCOC1	841613137	SVSXGKGKVZKOBP-BXUZGUMPSA-N	310.325	1.358	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C2(O)CCSCC2)cc1	846378562	YQOKIAZRFCWNSK-UHFFFAOYSA-N	324.402	1.103	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCCc1ccc(F)cc1	847094543	BYEAPAITVGQOGK-FZMZJTMJSA-N	308.353	1.721	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1C1CC1	843658672	FJZNSFWRZIBLKV-JQWIXIFHSA-N	320.393	1.357	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(OC2CCOCC2)cc1	910164401	YKITZOCLADMNOZ-LBPRGKRZSA-N	308.378	1.202	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)[C@H]1CCc2nnnn2CC1	845953905	QWZUCXXUVBDEHR-JTQLQIEISA-N	304.329	1.216	50	20	DDGD	
Cn1c(NNC(=O)CCCCC(=O)O)nc2ccccc2c1=O	848448584	PKFCCMHMVPNKDG-UHFFFAOYSA-N	318.333	1.022	50	20	DDGD	
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NNC(=O)N2CCOCC2)o1	745991896	JCVPLAHZPIMTIC-YPMHNXCESA-N	321.377	1.409	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(F)cc1Cl)C(=O)N(C)C	914169380	RUJFJZBECOSXDZ-ZETCQYMHSA-N	302.737	1.582	50	20	DDGD	
CC[C@@H](N)CNC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	842008661	VTXTURSITLOKAF-QWHCGFSZSA-N	322.409	1.138	50	20	DDGD	
CC[C@H]1CN(CC(=O)NNC(=O)c2ccccc2)[C@H](CC)CO1	844384537	BQPHGMCXISWDFD-CABCVRRESA-N	319.405	1.337	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@H]2Cc3ccccc32)c1O	743316826	IETLXYQSXSPPOR-ZDUSSCGKSA-N	312.325	1.502	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)OC[C@@H]2CCC(=O)N2)cc1	845074638	VSMSPMUMCVNZLC-FSBNRTBOSA-N	300.314	1.424	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(Br)o1	843641079	RCYRWFJZBUZFAQ-RQJHMYQMSA-N	317.139	1.228	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H](CC(C)C)OC	842223746	PBMIEMIEWYQQSY-HNNXBMFYSA-N	322.405	1.836	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cnc(C3CC3)s2)n1	746634719	OCCPRBQHPWSNFK-UHFFFAOYSA-N	305.363	1.884	50	20	DDGD	
C[C@H](NC(=O)NN)c1cc2c(cc1Br)OCCO2	841720058	GTGYNQCLRVSWTD-LURJTMIESA-N	316.155	1.454	50	20	DDGD	
CCC[C@@H](C)CC(=O)OCC(=O)NNC(=O)c1cccs1	748960576	ULMPKZDLHFFMLA-SNVBAGLBSA-N	312.391	1.879	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1cccc(N(C)C)c1	843656651	NKQDOXJNVWBMSP-WFASDCNBSA-N	319.405	1.258	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@@H]1SCCc2sccc21	742584262	XKOFESIVZKMKCD-LLVKDONJSA-N	311.432	1.819	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc(C(=O)N(C)C)cc1F	841768314	DEZAZVHXZNWAFX-UHFFFAOYSA-N	324.356	1.726	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NC[C@H](C)C1CC1	920054252	NSGMQJPACIJJDZ-WDEREUQCSA-N	323.368	1.970	50	20	DDGD	
N#CC1(C(=O)NNc2ncc(Br)cn2)CCCC1	848319503	LCLFTGOBHHZNCK-UHFFFAOYSA-N	310.155	1.766	50	20	DDGD	
COc1ccc2c(c1)CN(C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)C2	848664070	WEWKMCWHQYMQLE-QMTHXVAHSA-N	319.361	1.177	50	20	DDGD	
O=C(CNC(=O)C1CC1)NNc1nc(C(F)(F)F)cs1	755856135	LSBPVFZGXGUKBN-UHFFFAOYSA-N	308.285	1.131	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C2CC(F)(F)C2)c1O	754013291	AQJUENJSIYXZEQ-UHFFFAOYSA-N	300.261	1.207	50	20	DDGD	
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)NNC(=O)CC	756884418	WERUYSDOVSRHHM-UHFFFAOYSA-N	322.365	1.350	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNC(=O)c1cccc(Cl)n1	857323628	SXXSHPQYQZFHMC-UHFFFAOYSA-N	313.741	1.085	50	20	DDGD	
CC(C)Oc1cccc(C(=O)NNc2ccnc(N(C)C)n2)n1	755277990	SAWCUIZTIUDBDA-UHFFFAOYSA-N	316.365	1.482	50	20	DDGD	
CCCNC(=O)Nc1ccc(CC(=O)NNC(=O)N(C)C)cc1	751387477	UHJRWDJRSIPWME-UHFFFAOYSA-N	321.381	1.063	50	20	DDGD	
CCOC(=O)C[C@H](C)CNC(=O)NNc1ncc(Cl)cn1	856882842	RHNBUEUSGFXRDK-QMMMGPOBSA-N	315.761	1.345	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=S)NCC1CCC1)c1ccccc1	855091165	DVRFYAAXSLEMDE-INIZCTEOSA-N	321.446	1.844	50	20	DDGD	
CC(C)[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)CCO1	852239825	VHHUTWVWBGIZFL-CMPLNLGQSA-N	324.356	1.368	50	20	DDGD	
CN1C[C@H](c2ccccc2)[C@@H](C(=O)NNC(=O)c2ccccc2)C1	858101463	QQFAAXVCCUMFLB-SJORKVTESA-N	323.396	1.793	50	20	DDGD	
O=C(COC(=O)[C@@]12CCC[C@@H]1C2)NNC(=O)c1ccccc1	924427525	JMWPIGZCIBDDKR-MLGOLLRUSA-N	302.330	1.181	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](C[C@H]1CCCO1)C(=O)OCC	924877505	QZMDOGGYXDTEKZ-QVDRPMGRSA-N	310.350	1.047	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ncc(C(F)(F)F)cc1Cl	929231886	LKKGWYBMVAPIND-UHFFFAOYSA-N	307.659	1.925	50	20	DDGD	
Cc1cccc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c1F	853390732	KLTSJGUZUBSGNI-KGLIPLIRSA-N	305.353	1.447	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@H](CCCO)C2)C[C@@H]1Br	856961155	WJXJUSAUXDQDPD-GMXVVIOVSA-N	319.243	1.964	50	20	DDGD	
CC(CN1C(=O)CCC1=O)=NNC(=O)c1cccc2ncccc12	754945161	STSBGQCCFLFECV-UHFFFAOYSA-N	324.340	1.490	50	20	DDGD	
O=C(N[C@H]1C[C@H](C(=O)O)C1)[C@@]12CC[C@@H](C[C@@H]1Br)C2	851624170	AAZKMULAPZXNMJ-JHXPXUMGSA-N	316.195	1.920	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc2c(c1)CC(C)(C)O2	757688602	CMBWOEAIUGOOCI-UHFFFAOYSA-N	307.350	1.589	50	20	DDGD	
COC(=O)CN1CCC(NC[C@]2(C)C[C@H]2Br)CC1	857065596	RGPCEFHWRLZFPN-YPMHNXCESA-N	319.243	1.387	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(C)n(-c2cc(C)on2)c1C	921040742	BHRKJWKMZBMZOA-UHFFFAOYSA-N	319.365	1.745	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Cc1ccc(C)o1	754229213	ODRSZTLMPPHXDS-UHFFFAOYSA-N	302.330	1.529	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)C(=O)Nc1ccn(CC)n1	850447838	NHEBJJJBHMRTBP-UHFFFAOYSA-N	315.377	1.856	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cn(CCOC)c2ccccc12	854926433	ZUGHXIVEQKFKFK-UHFFFAOYSA-N	320.418	1.369	50	20	DDGD	
CC(=O)Nc1nc(C(=O)NNc2ncccc2[N+](=O)[O-])cs1	759300538	GDPZUOZOOHGEFS-UHFFFAOYSA-N	322.306	1.162	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)N[C@@H]2C=CCC2)cc1OC	852512982	RJHBYIURWXCFFH-GFCCVEGCSA-N	319.361	1.757	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1ccc(O[C@@H](C)COC)cc1	853000432	BETZZOWIDDQNOU-LERPTODRSA-N	318.373	1.770	50	20	DDGD	
CN1CC[C@@H]1CNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	925393138	FTCSYTQBVSBWSU-DLUQRMLASA-N	320.437	1.237	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NC[C@]2(C)C[C@H]2Br)C1	857392523	DUFGUUXBRRUFGF-CWSCBRNRSA-N	317.227	1.535	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN[C@@H](c1cccs1)C1CC1	754121188	AJUOLXYLPZSXBA-CYBMUJFWSA-N	309.435	1.982	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNc2ccc(C)c(F)c2)c(O)n1	856231151	QOTBZGYHPJVHSK-UHFFFAOYSA-N	304.325	1.932	50	20	DDGD	
COC[C@]1(C)NC(=O)N(C[C@]2(C)C[C@H]2Br)C1=O	857227136	GULRORHPORZYIN-GGVZMXCHSA-N	305.172	1.117	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)N[C@H]1CC[C@H](O)CC1	753723408	KCDJRPCCDARPSZ-JOCQHMNTSA-N	309.341	1.002	50	20	DDGD	
CC[C@H](CN1CCCC1)NC(=O)NNC(=O)c1cccc(F)n1	853853227	DXJMUPZNWZPQAA-LLVKDONJSA-N	323.372	1.039	50	20	DDGD	
O=C(NNC(=O)[C@H](O)C1CC1)c1ccc(Cl)cc1Cl	854245507	AEIITQZUHDOPJK-SNVBAGLBSA-N	303.145	1.525	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)C[C@@H](C)O2	855006955	RGLMBBDWDLDFKD-NRUUGDAUSA-N	304.346	1.196	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)C2CCCC2)c(F)c1	758864375	CGFZQXNMWGCFGH-UHFFFAOYSA-N	309.341	1.855	50	20	DDGD	
C=CCCOCCNC(=O)NNC(=O)c1cc2c(s1)CCC2	757050037	UKSTZBWHQXFCPN-UHFFFAOYSA-N	323.418	1.774	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H](C)Cn1ccc(C)n1	865653738	XNMAYBUZCZKUTH-LLVKDONJSA-N	316.361	1.297	50	20	DDGD	
CN(C)C1(C(=O)NNc2ccccc2S(C)(=O)=O)CCC1	766669191	HLNKEINQLOFXNY-UHFFFAOYSA-N	311.407	1.018	50	20	DDGD	
COCCOCc1ccc(NC(=O)NNc2cnccn2)cc1	861567994	MDDHZKJQVMDSIP-UHFFFAOYSA-N	317.349	1.788	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccnc(OCC(F)(F)C(F)F)c1	765257373	ZDSOWESSEFQTBY-UHFFFAOYSA-N	324.234	1.533	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H](O)[C@H]2CCCC[C@H]21)c1ccccc1	868003902	IGHRXQFRUJMQJO-ZNMIVQPWSA-N	317.389	1.666	50	20	DDGD	
Cc1c(C#N)cccc1NC(=O)C(=O)NNC(=O)C1CCCC1	764071215	RKEHIQQJIPHPDH-UHFFFAOYSA-N	314.345	1.143	50	20	DDGD	
CCOc1ccc(OC(C)(C)C(=O)NNC(=O)C(C)(C)O)cc1	768243672	GOKGVFKBBBCEJC-UHFFFAOYSA-N	324.377	1.161	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc(OC(F)F)cc1F	930997926	WNLUQBLOOQTSHS-UHFFFAOYSA-N	305.256	1.780	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)Nc1ccc2c(c1)OCO2)C1CC1	861567303	FNLRGGNODZXORU-ZDUSSCGKSA-N	321.333	1.383	50	20	DDGD	
CCN(CCC(=O)NC)/C(=C\C#N)c1cccc([N+](=O)[O-])c1	933869164	OQMVASWRRYBFPS-AUWJEWJLSA-N	302.334	1.917	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2cc(Cl)cc3c2OCC3)N1	863152935	JDOSUILRXUWLGR-LLVKDONJSA-N	307.737	1.004	50	20	DDGD	
CCO[C@H]1COCC[C@@H]1NS(=O)(=O)CC(C)(C)CCl	867104433	ALHWXEURDZCOCJ-QWRGUYRKSA-N	313.847	1.365	50	20	DDGD	
O=C(CN1CC[C@@H](c2c(F)cccc2F)C1)NNC(=O)C1CC1	769229504	YBEWVPRVXYJZSM-LLVKDONJSA-N	323.343	1.312	50	20	DDGD	
C[C@H](NNC(=O)C[C@@H](NC(N)=O)c1cccs1)C(F)(F)F	862306347	JIDZFRWWVZGLPD-NKWVEPMBSA-N	324.328	1.419	50	20	DDGD	
COC(=O)c1cc(NCc2ccc(B(O)O)cc2)c(C)cc1C	864010863	GEDDMIJNAHAWMJ-UHFFFAOYSA-N	313.162	1.382	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NNC(=O)CC1CC1	861840391	HNWGPNMWDCEPPW-SNVBAGLBSA-N	313.398	1.579	50	20	DDGD	
Cc1nn(CC(F)F)c(C)c1C(=O)NNC(=O)CC(C)C	760619693	GAHXYXHCKRRYOQ-UHFFFAOYSA-N	302.325	1.572	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21)[C@@H]1CCCCO1	861854322	VYKRKTNALDMADG-CBBWQLFWSA-N	300.358	1.289	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=Cc1c(F)cccc1F	763204868	SYQQJXLEJULLIN-UHFFFAOYSA-N	318.283	1.240	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(NC(C)=O)cc1	764469438	JWKIXEBDHVLRMW-UHFFFAOYSA-N	301.306	1.201	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1ccc(N(C)C(C)=O)cc1	862835393	MSXDWQBHBLHMDU-KAMYIIQDSA-N	301.346	1.729	50	20	DDGD	
CC[C@]1(C(=O)NNc2cccc3c2CCCC3)CCNC1=O	866873394	BYDMTMDUSDUYDV-KRWDZBQOSA-N	301.390	1.925	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N1CCOCC1)C1CCC(C)CC1	763758099	NKJFLJHKJUZXDI-JXQTWKCFSA-N	311.426	1.912	50	20	DDGD	
Cc1nc(CCNC(=O)NNC(=O)CC(F)(F)F)sc1C	764374364	OWPGLMREYNBNBQ-UHFFFAOYSA-N	324.328	1.585	50	20	DDGD	
N#CC1=CCN(C(=O)c2cc(Cl)ccc2-n2cnnn2)CC1	760003694	OGWGIVVZVFPHPM-UHFFFAOYSA-N	314.736	1.612	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)NNC(=S)Nc1cccc(C)c1	873774726	UBPGNARXSZHUTG-UHFFFAOYSA-N	308.407	1.227	50	20	DDGD	
O=C(O)[C@@H]1CCN(C(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)C1	777366313	BLHGVFVNSMIRNN-MPXOCVNLSA-N	316.195	1.873	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)C1(Br)CC1	874955705	FITOULGOEZFAGA-UHFFFAOYSA-N	315.196	1.327	50	20	DDGD	
Cc1cccc(C(=O)NNc2nc(O)c3cnn(C)c3n2)c1C	770974099	RIPVHULLJWTVGG-UHFFFAOYSA-N	312.333	1.443	50	20	DDGD	
O=C(NCc1nnnn1CC1CC1)NNc1ccc(F)cc1	771375299	SHCXONTVYRXMLS-UHFFFAOYSA-N	305.317	1.049	50	20	DDGD	
Cc1cc(N2C[C@H](C(=O)NNC(=O)C(C)C)CC2=O)ccc1F	779867410	IHCBPEOIIQLCAG-LLVKDONJSA-N	321.352	1.290	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@H](C)[C@@H](C)N2CCOCC2)n1	875243150	RRZDFNCHDBNLLO-CHWSQXEVSA-N	307.398	1.125	50	20	DDGD	
C=CCCOCCCCC(=O)NNC(=O)c1ccccc1O	775782821	AUJAMKJRYYWBKV-UHFFFAOYSA-N	306.362	1.916	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NO[C@H]1CCCCO1	776229524	VXIXQRGSINLTAG-AWEZNQCLSA-N	307.350	1.408	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc(C(C)C)c1N	772043014	PTJUMHPHOYPDIT-JTQLQIEISA-N	321.377	1.495	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1SCCc2ccccc21	887144586	SFUXNKTZAUSEEO-OAHLLOKOSA-N	302.399	1.968	50	20	DDGD	
CSc1ccccc1CC(=O)NNC(=O)NCC(F)(F)F	776973741	RUUWRGZOXOSZHI-UHFFFAOYSA-N	321.324	1.844	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1ccncc1C	771720369	FLSUDGVTFSHOLV-UHFFFAOYSA-N	314.345	1.272	50	20	DDGD	
COC(=O)C[C@@]1(NC[C@H](C)CBr)CCCOC1	770703674	ZCGMTTHFAYWDSA-PWSUYJOCSA-N	308.216	1.719	50	20	DDGD	
CC(=O)N[C@@H](C(=O)OC[C@]1(C)C[C@@H]1Br)C(C)C	1123143064	VTNUEVYRDSBZNE-UMNHJUIQSA-N	306.200	1.864	50	20	DDGD	
CN(NC(=O)c1c[nH]c2ccc(Br)cc12)C(N)=O	778411915	IPYIMCJCDOUSDA-UHFFFAOYSA-N	311.139	1.586	50	20	DDGD	
COc1ccc(NNC(=O)c2c(OC)cccc2OC)nc1	781519740	UOIUWPSTRNVFJV-UHFFFAOYSA-N	303.318	1.864	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1CCCc2c(O)cccc21	789744263	QOTANYAPRHOCNP-CYBMUJFWSA-N	305.378	1.943	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1ccc2cncn2c1	786198205	SJONVZIDAWCRRZ-UHFFFAOYSA-N	324.340	1.312	50	20	DDGD	
COCCONC(=O)NNC(=O)Cc1cccc2ccccc12	789341435	FDCPLHQZQJYMLW-UHFFFAOYSA-N	317.345	1.291	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCN1CCN(C(=O)CO)CC1	788019618	AWTDCTXHSRXAGF-UHFFFAOYSA-N	302.491	1.145	50	20	DDGD	
O=C(CC1COC1)NNC(=O)CC12CC3CC(CC(C3)C1)C2	899942665	OPHWMCNKYFIKEU-UHFFFAOYSA-N	306.406	1.777	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2ccc(Cl)c(F)c2)C(=O)O1	896352034	PPEFEBVZVGFLLH-WKEGUHRASA-N	301.705	1.809	50	20	DDGD	
CS(=O)(=O)C1(CNC(=O)NNc2ccc(F)cc2)CCC1	793270130	CKOQHLAAHMCDPK-UHFFFAOYSA-N	315.370	1.419	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)CCCc2ccccc2)cn1	796073740	XHGSJEUKDWOKNH-UHFFFAOYSA-N	312.373	1.907	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNc1cccc(F)c1[N+](=O)[O-]	790586226	SIAOKJAODQPDBQ-UHFFFAOYSA-N	307.285	1.787	50	20	DDGD	
CN1CC[C@H](NC(=O)[C@H](Br)C(C)(C)C)CC1=O	793918464	DKZZHALXXWENSS-WPRPVWTQSA-N	305.216	1.533	50	20	DDGD	
CC1(CCNC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1	792196706	NELKKVVAQFPMBY-UHFFFAOYSA-N	306.322	1.729	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCSCC[C@H]2C)cc1	794570810	PIQLBHVUZQLBDE-CYBMUJFWSA-N	321.446	1.583	50	20	DDGD	
Cn1cnc(C=NNC(=O)c2cc(Br)ccc2O)c1	794515751	MCXVILJXEOWMSY-UHFFFAOYSA-N	323.150	1.652	50	20	DDGD	
CN(C)C(=O)CCCOC(=O)/C(C#N)=C\c1ccc(O)cc1	795444623	HESDKMBATOONNN-RAXLEYEMSA-N	302.330	1.711	50	20	DDGD	
CSSCCNC(=O)N1CCC[C@H](CNC(N)=O)C1	790877172	WHUNZKVINQKVPB-SECBINFHSA-N	306.457	1.088	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CC[C@@H](C)C[C@H]1n1cncn1	794519161	JTPTWZRTACUGDD-YRGRVCCFSA-N	323.397	1.163	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1ccc(OC)c(OC)c1C	794929071	ODYVNKQAUPQUGP-UHFFFAOYSA-N	323.349	1.208	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSCC(=O)Nc1ccccc1	799901269	CAEDTBNNHSVZNA-UHFFFAOYSA-N	323.418	1.552	50	20	DDGD	
CCc1ccccc1OCCC(=O)NNc1nccc(OC)n1	795166714	TUDGWWUVOIVOMM-UHFFFAOYSA-N	316.361	1.960	50	20	DDGD	
COc1cc(NNC(=O)C2(C(=O)NC3CC3)CC2)ccc1Cl	790180017	LGZSVKMZSMHBFX-UHFFFAOYSA-N	323.780	1.851	50	20	DDGD	
CC(=O)c1cc(C(=O)NNc2ccnc(N(C)C)n2)ccc1C	790766102	ADYSFEXNHANBRL-UHFFFAOYSA-N	313.361	1.811	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cnc(S)n1-c1ccc(F)cc1	790090273	FJOMFZMSDSNHOM-UHFFFAOYSA-N	320.349	1.471	50	20	DDGD	
Cc1oc2ncnc(O)c2c1C(=O)NNc1nccnc1Cl	1318857273	KOSJJSQLJWRHIX-UHFFFAOYSA-N	320.696	1.437	50	20	DDGD	
C[C@@H](Oc1ccccc1)C(=O)NNc1nncc(N)c1Cl	1319307428	DBKQSCVRNBSITN-MRVPVSSYSA-N	307.741	1.623	50	20	DDGD	
CCOC(=O)[C@@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)C1CC1	1321079828	NIYAWGOJVCBKLR-GLNPCMGASA-N	314.341	1.757	50	20	DDGD	
N#CC1=CCN(C(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1	1323875413	MFMPMAAEHNMZRY-UHFFFAOYSA-N	309.325	1.636	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)[C@H]1COCCO1	1322547423	XTDLMVFPMDQQLE-GFCCVEGCSA-N	307.306	1.298	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1ncoc1[C@@H]1CCCO1	1251943345	MLPVHPHHFHTNET-ZETCQYMHSA-N	309.713	1.726	50	20	DDGD	
Nc1cnnc(NNC(=O)Cc2ccc(Cl)cn2)c1Cl	1330226582	APSGBKPSIZSGDI-UHFFFAOYSA-N	313.148	1.446	50	20	DDGD	
CCN1C[C@H](C)N(C(=O)NNC(=O)c2cc(C)cs2)C[C@H]1C	1334939287	KSOYWIRQSJCJFB-NEPJUHHUSA-N	324.450	1.825	50	20	DDGD	
CC(=NNC(=O)C1CCOCC1)c1ccc(CC(=O)O)cc1	1333213756	ADWFNHYXCDBWEE-UHFFFAOYSA-N	304.346	1.581	50	20	DDGD	
COc1cccc2c1CC[C@H]2NS(=O)(=O)CBr	782470617	FMIBINQIJDKEFL-SNVBAGLBSA-N	320.208	1.954	50	20	DDGD	
C=C[C@H](COC)NC(=O)NNC(=O)CCCc1ccccc1	1342730662	XVXIODYONKOVKS-CQSZACIVSA-N	305.378	1.541	50	20	DDGD	
CC(C)C[C@H]1CN(C)CCN1C(=O)NNC(=O)C1CCCC1	1340216625	BJKXYZDOTNBCIC-AWEZNQCLSA-N	310.442	1.580	50	20	DDGD	
O=C(/C=C\c1nccs1)NNC(=O)c1n[nH]c2c1CCCC2	1263714495	MWHGMUOPZLPRLC-WAYWQWQTSA-N	317.374	1.219	50	20	DDGD	
CCCNC(=O)[C@H](C)NC(=O)/C(C#N)=C\c1ccc(F)cc1	1347438365	VCPVAJRLCSDTDG-KWJWQAOWSA-N	303.337	1.764	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)Cn2cc(C3CC3)nn2)o1	1340376932	VAKNVFZYSCKJBC-UHFFFAOYSA-N	315.337	1.282	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@@H]2CCN2C2CCCC2)c1Cl	1352218108	XKZJAPKHBMZTFY-JTQLQIEISA-N	310.789	1.172	50	20	DDGD	
CN(C)CCn1ccc(NC(=O)NNc2cc(F)ccc2F)n1	1351363765	OZKDAVFBLJJSGX-UHFFFAOYSA-N	324.335	1.872	50	20	DDGD	
CO[C@H]1CCC[C@@H]1C(=O)NNC(=O)c1cccc(N(C)C)c1	1354039682	AMKMYFQYAGISAZ-KBPBESRZSA-N	305.378	1.329	50	20	DDGD	
C[C@]1(NC(=O)NNc2c(F)cccc2Cl)CCOC1=O	1520139424	ODHBYSYVBXUKGI-LBPRGKRZSA-N	301.705	1.811	50	20	DDGD	
C[C@@H]1[C@@H](C(=O)NNc2cccc(S(C)(=O)=O)c2)C1(F)F	1528089535	YRZMMXQVRQWDAF-XCBNKYQSSA-N	304.318	1.434	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCCc2ccc(C(=O)O)cc2)cn1	1608109085	HZCVBSJCGBNARI-OVCLIPMQSA-N	324.340	1.384	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)O	1607401176	YUZQPCWRDVMZOD-UHFFFAOYSA-N	317.392	1.087	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2cc(C(=O)O)on2)c1	1600542121	WVCCPBARXAZKOD-UHFFFAOYSA-N	320.330	1.313	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)N[C@H]1CCO[C@@H](C2CC2)C1	1608483278	MCRUWWLVMISURN-GXTWGEPZSA-N	319.361	1.969	50	20	DDGD	
O=C(Cc1ccsc1)NNC(=O)Nc1ccc(C(=O)O)nc1	1601372974	VJYAMXQILKAOBV-UHFFFAOYSA-N	320.330	1.237	50	20	DDGD	
Cn1ccnc1CNC(=O)NNc1cccc(C(=O)O)c1F	1600987570	YMSLLQPVMKOTCZ-UHFFFAOYSA-N	307.285	1.084	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H](C(=O)O)C(C)C)cc1	1604781907	NQGCNSBECGPOFA-AWEZNQCLSA-N	322.361	1.132	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2cnn3ccccc23)cc1	1602128351	IAXJMAITAUXTHR-UHFFFAOYSA-N	310.313	1.718	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@H]1C(=O)NN=CC1CCOCC1	1549314181	BRZGZMVWTYKWSB-HIFRSBDPSA-N	320.393	1.416	50	20	DDGD	
CCCC[C@@H](N)C(=O)NNC(=O)c1ccc(OCC)c(OC)c1	1577410379	CECLGZLJRWKRKH-GFCCVEGCSA-N	323.393	1.372	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@H](C(C)C)[C@@H](C)N	1579310596	SZONMWZVQIRYNG-ZWNOBZJWSA-N	324.450	1.632	50	20	DDGD	
CC(C)(N)CC(=O)NNC(=O)c1cc(-c2ccccc2)on1	1573483863	XJVNAPVTMDNCCY-UHFFFAOYSA-N	302.334	1.230	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H](F)[C@@H]2CCNC2)cc1C	1579723111	ZDCDLWPGIRWVJQ-DGCLKSJQSA-N	324.425	1.569	50	20	DDGD	
CC(=NNC(=O)C1CCOCC1)c1cccc(-c2nn[nH]n2)c1	1588776087	XHHAALBJDXSHSQ-UHFFFAOYSA-N	314.349	1.134	50	20	DDGD	
CC(C)(O)CC(=O)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846387442	XOSUFVAHPYDNKC-UHFFFAOYSA-N	323.220	1.155	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)CCN(C)C)C2	1845164211	RXUXTPLDAKTEFG-LBPRGKRZSA-N	315.845	1.159	50	20	DDGD	
COc1c(NC[C@@]2(C)C[C@H]2Br)ncnc1C(=O)O	1599343676	VSOMOVFHZHWTPG-KSBSHMNSSA-N	316.155	1.769	50	20	DDGD	
O=C(O)CSCC(=O)NNc1ncc(Cl)cc1Cl	1595126902	LWLGLCMPDYNCEY-UHFFFAOYSA-N	310.162	1.649	50	20	DDGD	
CC(C)(CC(=O)O)C(=O)OCCCI	1590625448	KUTNDNXATVWWEY-UHFFFAOYSA-N	314.119	1.856	50	20	DDGD	
COC(=O)c1cc(OC(=O)[C@@H](C(=O)O)C2CC2)ccc1[N+](=O)[O-]	1593881540	IEDRVAXKBVBUKS-LLVKDONJSA-N	323.257	1.398	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC[C@H]1C(=O)O)c1ccc(Cl)cc1F	1594782758	KIPSUDZZEAGYOC-JGVFFNPUSA-N	314.700	1.351	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C/c1c(F)cc(C(=O)O)cc1F	1776117842	KBCCPAUWUDNJAS-UNXLUWIOSA-N	300.224	1.830	50	20	DDGD	
O=C(NN=Cc1cccc(F)c1C(=O)O)c1ccc(O)cc1	1776012775	NJVAHMRXHVITJS-UHFFFAOYSA-N	302.261	1.993	50	20	DDGD	
N#C/C(=C/c1ccc(-n2cnc(C(=O)O)c2)cc1)C(=O)NC1CC1	1776127662	ABWYFNZGVONXOV-GHXNOFRVSA-N	322.324	1.756	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCCO1)[C@H](F)Cl	1796340723	PIURYBAFYJNTMI-ROHXPCBUSA-N	318.776	1.338	50	20	DDGD	
COC(=O)NNC(=O)CCc1ccc(Br)cc1	158833038	GYRLPZGZLUUXMQ-UHFFFAOYSA-N	301.140	1.769	50	20	DDGD	
CCc1ccc(S(=O)(=O)NNC(=O)NC(C)C)cc1CC	160092214	SLAKVKZWWZPPMV-UHFFFAOYSA-N	313.423	1.712	50	20	DDGD	
Cn1c(=O)[nH]c2ccc(C(=O)NNc3ccc(F)cc3F)cc21	152838421	OJNBJDDZCSNORP-UHFFFAOYSA-N	318.283	1.902	50	20	DDGD	
CC(C)(C)OC(=O)[C@@]1(C)C[C@H](I)CN1	536960682	SICDEQPVLVXPFV-OIBJUYFYSA-N	311.163	1.884	50	20	DDGD	
CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CC=C(C#N)CC2)C1	272671418	KSRGHMXFTBTJDU-CYBMUJFWSA-N	321.377	1.305	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)OC(C)(C)C)CC1(C)OCCO1	493270493	VDCQXGOIVGGVBV-JTQLQIEISA-N	317.386	1.515	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)CBr)C[C@@H](C)C1(F)F	859260403	UYODUTBYUZAMAM-KNVOCYPGSA-N	306.172	1.892	50	20	DDGD	
CCCCNC(=S)NNC(=O)CNc1ccccc1OC	7520549	QMKJBZTZPCAHMZ-UHFFFAOYSA-N	310.423	1.403	50	20	DDGD	
COc1cc(CCC(=O)NNC(=O)c2ccc[nH]2)cc(OC)c1	7849226	LQVSCGGJGHUPPN-UHFFFAOYSA-N	317.345	1.426	50	20	DDGD	
O=C(NNc1nccnc1Cl)[C@@H]1COc2ccccc2O1	114895765	GVKFDMRUVGEIJB-JTQLQIEISA-N	306.709	1.413	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccccc1-n1cccn1	103423733	KFCKIGCPNPMOCD-UHFFFAOYSA-N	321.340	1.271	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(C[C@@H](C)O)c1ccccc1	109835994	BWEFBJQXHHQXHT-ZIAGYGMSSA-N	321.421	1.456	50	20	DDGD	
O=C(NNC(=O)C1(c2ccccc2)CCOCC1)NC1CC1	64900443	OFNHBTOANBOPSO-UHFFFAOYSA-N	303.362	1.228	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)/C=C/c2ccc(Cl)s2)cn1	172081280	MOTGAXVVCDJJCP-HWKANZROSA-N	310.766	1.609	50	20	DDGD	
CS(=O)(=O)CCCC(=O)NNc1cc(F)c(F)cc1F	115718721	QKOBGGRJCKSENU-UHFFFAOYSA-N	310.297	1.372	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)c2ccccc2O)cc1	25105464	HVAMCRDPOWTQCH-UHFFFAOYSA-N	315.329	1.545	50	20	DDGD	
O=S(=O)(CBr)N1CCC2(CC1)CC2(F)F	405094669	YLWANTGODUUJTM-UHFFFAOYSA-N	304.156	1.790	50	20	DDGD	
CCc1onc(C)c1NC(=O)NNC(=O)Cn1nc(C)cc1C	183402360	MWKFERHIBJHHAZ-UHFFFAOYSA-N	320.353	1.212	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNC(=O)c1ccc[nH]1)c1cccnc1	175905020	QWPYHIMKPASHFP-CYBMUJFWSA-N	315.377	1.794	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1	61494833	DUZCGKYMRVQNRI-AOOOYVTPSA-N	323.353	1.088	50	20	DDGD	
O=C(NNc1ccccn1)C1CCN(C(=O)N2CCCC2)CC1	181211863	DEKFUOPGKJZXON-UHFFFAOYSA-N	317.393	1.453	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1c(O)cccc1F	184786358	SNLIUULEDBBFJY-UHFFFAOYSA-N	315.264	1.733	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C1[C@@H]2CCC[C@@H]12	178075005	YMEGRRJTNGHGQX-GHMZBOCLSA-N	304.346	1.268	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CN2CCC(C)CC2)nc1	179789352	OYYGJIBSWCZKCD-UHFFFAOYSA-N	306.366	1.043	50	20	DDGD	
CCc1ncsc1C(=O)NNC(=O)CNc1ccccc1	123274505	KMSHCGNBDYBXJC-UHFFFAOYSA-N	304.375	1.579	50	20	DDGD	
CN(NC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1)C(N)=O	181093140	DJRSZMQOFAKDKJ-ZJUUUORDSA-N	312.167	1.594	50	20	DDGD	
Cc1ccc(F)c(NC(=O)C(=O)NNc2cncc(Cl)n2)c1	128310141	ZEFGGSAOBVPTSB-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
Nc1ccc(C(=O)NNc2nnc(C3CC3)s2)cc1[N+](=O)[O-]	184477888	RPYOJGSECZWZND-UHFFFAOYSA-N	320.334	1.663	50	20	DDGD	
CCCc1[nH]nc(C(=O)NNc2cccc(OC)n2)c1[N+](=O)[O-]	180705419	KWIDXVMLWORVAL-UHFFFAOYSA-N	320.309	1.431	50	20	DDGD	
Cc1ccccc1[C@@H](CC(=O)NNC(=O)C(C)(C)C)NC(N)=O	77220561	WHIFDSFBORFBML-GFCCVEGCSA-N	320.393	1.288	50	20	DDGD	
C=C(Br)CNC(=O)NNc1cccc(OC)n1	181095689	OADJZGNTRVXODP-UHFFFAOYSA-N	301.144	1.625	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)C(=O)Nc1cnn(C)c1C	187456704	RLYBISIMYVNDGC-UHFFFAOYSA-N	305.313	1.258	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCc2cnn(C)c2C)c(O)c1	120549657	MQDLVOWSKQTIFP-UHFFFAOYSA-N	316.361	1.136	50	20	DDGD	
O=C(/C=C/c1cccnc1)NNC(=O)c1ccc(Cl)nc1	131607240	RUKGXDMVCLCRJY-ZZXKWVIFSA-N	302.721	1.604	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1	73158238	GSWXPWAUXDQLHX-MCIONIFRSA-N	315.398	1.553	50	20	DDGD	
CCOCc1ccccc1CNC(=O)NNc1ncccn1	46178834	MAACFXQQAWYKDU-UHFFFAOYSA-N	301.350	1.839	50	20	DDGD	
CC(C)CN1N=C(C(=O)NNC(=O)CC2CCCC2)CCC1=O	139246860	XVFUOMKHWKECEI-UHFFFAOYSA-N	322.409	1.349	50	20	DDGD	
Cc1noc(C)c1S(=O)(=O)NNC(=O)NC1CCCCC1	192735151	MQRHMFQCCSNTOM-UHFFFAOYSA-N	316.383	1.117	50	20	DDGD	
N#Cc1ccc(CCC(=O)NNC(=O)Cc2ccncc2)cc1	81017004	YKEXCQYIJVBHIJ-UHFFFAOYSA-N	308.341	1.276	50	20	DDGD	
CC(=O)CSCC(=O)NNC(=O)CCCc1ccccc1	195448733	CXRRKAFBPDIRHT-UHFFFAOYSA-N	308.403	1.479	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H]2CCCN(CC(C)C)C2)nn1	130700784	AUBRDKZPERSKME-AWEZNQCLSA-N	320.441	1.779	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(C)nc3ccccc23)[nH]n1	193496276	AVQPICQJMZTAOS-UHFFFAOYSA-N	309.329	1.650	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cc(F)cc(Br)c1	46753167	ARPISFITGKDNOL-UHFFFAOYSA-N	301.115	1.759	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ccc(OC(F)(F)F)cc1	134266459	QAWGOBUCWRIKSQ-VHSXEESVSA-N	318.251	1.837	50	20	DDGD	
Cc1ccc(Cl)c(O[C@@H](C)C(=O)NNC(=O)C(C)(C)O)c1	190054548	WSIPOLGRXAPFBV-VIFPVBQESA-N	314.769	1.334	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccc(OCC(F)F)n1	90039188	HRLOCDANTXCNJN-UHFFFAOYSA-N	316.308	1.470	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNC(=O)CNc1ccc(C)cc1C	268294840	YTINYIMGRBZMCP-LBPRGKRZSA-N	321.377	1.062	50	20	DDGD	
COCCOC[C@H]1CCN(C(=O)NNC(=O)c2ccccc2)C1	266506530	MBZWSLFQIPZIBP-ZDUSSCGKSA-N	321.377	1.026	50	20	DDGD	
COC(=O)N[C@@H](CC(C)C)C(=O)NNc1ccc(Cl)nc1	266546392	QVZQWSVQSLPKCU-JTQLQIEISA-N	314.773	1.949	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@@H]1CCN2CCC[C@@H]2C1	363913737	LIJKHFRUEXDYLD-NXEZZACHSA-N	310.789	1.383	50	20	DDGD	
O=C(CNC(=O)C1CCCCC1)NNc1nnc(C2CC2)s1	273649640	XIJHHROSIABEPW-UHFFFAOYSA-N	323.422	1.555	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NN[C@H](CC)C(=O)OC)cc1	279673348	DPLODJBTJZLZKK-BXUZGUMPSA-N	324.377	1.425	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(C(F)(F)F)nn1)n1cccn1	270077340	VWBZDQHADQVIBQ-SSDOTTSWSA-N	300.244	1.396	50	20	DDGD	
CCOC(=O)N1CC[C@@H](NC(=O)NNc2ncccc2C)C1	276782471	PZKWQRIPJCMXKA-LLVKDONJSA-N	307.354	1.247	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(F)cc2nc(C)c(C)nc12	272700062	UBZCZFIADIENMI-UHFFFAOYSA-N	319.340	1.692	50	20	DDGD	
Cc1noc(C(C)C)c1C(=O)NNc1nc2ccccn2n1	276849443	OFWISLJKFHUWST-UHFFFAOYSA-N	300.322	1.906	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccccc1C(=O)N1CCCC1	274141626	XKGGWESFIUNACO-UHFFFAOYSA-N	316.361	1.485	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCCO2)NOC1CCCC1	271724545	XIZBGHBKXSEFMU-UHFFFAOYSA-N	321.333	1.276	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)[C@@H]3CCCC(C)(C)C3)nc21	270011892	AZEQYZSUQHFDEC-SECBINFHSA-N	318.381	1.728	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)NC1CC(F)(F)C1	277367010	BNKWPEZNCWNRAO-UHFFFAOYSA-N	323.303	1.005	50	20	DDGD	
NC(=O)NC1(C(=O)NNc2cc(C(F)(F)F)ccc2F)CC1	271099823	XVEXDCRYASJRFT-UHFFFAOYSA-N	320.246	1.489	50	20	DDGD	
CC[C@H](C)Oc1cc(C(=O)NNc2nccc(OC)n2)ccn1	272065772	UQKPEDCDIBJEKE-JTQLQIEISA-N	317.349	1.814	50	20	DDGD	
C[C@@](O)(CC(=O)NNc1ccc(C(F)(F)F)nn1)C1CC1	270236783	PFUFEDGNPRSIIQ-LLVKDONJSA-N	304.272	1.490	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC(=O)N(CC2CC2)C1	279626423	YVYDZUYMSPHWKA-UHFFFAOYSA-N	324.812	1.391	50	20	DDGD	
O=C(NNc1ccccc1Cl)[C@@H]1CCCCS1(=O)=O	275054902	MDSZAJMJERLBFR-NSHDSACASA-N	302.783	1.750	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1cn(CC)c2ccccc12	272667531	JKBDCCFVUKPWOT-UHFFFAOYSA-N	302.378	1.896	50	20	DDGD	
CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NNc1ccc(C)cc1	289365323	AQKLSFQNOHAMIE-ZDUSSCGKSA-N	323.393	1.978	50	20	DDGD	
C[C@@H]1CCC[C@H]1NCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	281910506	CEIKNHGGMFALTM-ZWNOBZJWSA-N	320.349	1.134	50	20	DDGD	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)CCCc1ccccc1	285449241	YIMWOFHBEWHVRP-UONOGXRCSA-N	318.373	1.356	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2cnc3n2CCCC3)n1	375199273	GHGOLNMSDGCXIL-UHFFFAOYSA-N	315.381	1.453	50	20	DDGD	
CC1(C)CCC[C@H]1C(=O)NNc1ccc(-n2ccnc2)nn1	286558937	IBZBGQRRJBIOGE-NSHDSACASA-N	300.366	1.932	50	20	DDGD	
C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NNc1cccc(F)n1	286362153	DLIVHICOGWFBQS-VIFPVBQESA-N	312.345	1.825	50	20	DDGD	
CC(C)[C@@H](O)C(=O)NNC(=O)CSc1ccc(Cl)cc1	285261480	VIPSPBWMZVCZOP-GFCCVEGCSA-N	316.810	1.596	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)CC(C)C)cc1[N+](=O)[O-]	298907171	AUIXBJZMERSGKU-UHFFFAOYSA-N	324.337	1.480	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C	807620868	RSPCHWWOHGJWLF-UKRRQHHQSA-N	318.421	1.636	50	20	DDGD	
Cc1noc(C)c1NC(=O)NNc1ccc(-n2ccnc2)nn1	806246514	RPDJQUQMVYWUAS-UHFFFAOYSA-N	314.309	1.416	50	20	DDGD	
Cc1noc(C)c1C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802122777	BRKGFHZPSIGZIK-UHFFFAOYSA-N	317.349	1.824	50	20	DDGD	
CN1CCC(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)CC1	802005055	STIKRHNRDBYMHA-UHFFFAOYSA-N	312.320	1.459	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNc2ncccc2F)cc1	807303105	WJQSTXKUOUEMDN-UHFFFAOYSA-N	302.309	1.865	50	20	DDGD	
Cc1ccccc1-n1cc(C=NNC(=O)Cc2cccnc2)nn1	807970378	HYULXYJWWNPIQI-UHFFFAOYSA-N	320.356	1.664	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccccc1NC(=O)C1CC1	293515550	PXJIPQJZSIEOHW-UHFFFAOYSA-N	304.350	1.341	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cc2cc([N+](=O)[O-])ccc2o1	292157318	OEDURULHWCBHBZ-NSHDSACASA-N	319.273	1.281	50	20	DDGD	
CN(C)C(=O)NNC(=O)COc1c(Cl)cccc1Cl	299382387	OKEANBGEDMGFDJ-UHFFFAOYSA-N	306.149	1.675	50	20	DDGD	
CN(CCCNC(=O)NNc1ncncc1F)c1ccccc1	292495541	RYRPICIJWTZYPI-UHFFFAOYSA-N	318.356	1.768	50	20	DDGD	
COc1cc(OCC(=O)NCC(Cl)Cl)ccc1[N+](=O)[O-]	297162323	SNWLRINCASPLIM-UHFFFAOYSA-N	323.132	1.902	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1csc(-c2ccccc2)n1	806968000	YOEJPCDYQFNFJE-UHFFFAOYSA-N	320.330	1.136	50	20	DDGD	
CCOC(=O)c1cnc(C)c(C(=O)NNc2cccc(F)n2)c1	804768807	WGILMWHDSXVTRI-UHFFFAOYSA-N	318.308	1.858	50	20	DDGD	
O=C(CCc1cscn1)NNc1ccc(-n2ccnc2)nn1	804956587	UTVMNFKGIWVZNV-UHFFFAOYSA-N	315.362	1.195	50	20	DDGD	
CC[C@H](C)[C@H](C)NC(=O)NNC(=O)COc1ccccc1OC	299160524	KECZSAZQHYFIEQ-RYUDHWBXSA-N	323.393	1.839	50	20	DDGD	
O=C(NNc1cnccn1)[C@@H]1CCCN(c2ccccc2)C1=O	293625703	XPGJXONEXNGOOH-ZDUSSCGKSA-N	311.345	1.363	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ocnc1C1CC1	290055161	DXOOIFWUFIQDRB-UHFFFAOYSA-N	311.338	1.102	50	20	DDGD	
Cc1cc(F)cc(S(=O)(=O)NNC(=O)[C@@H]2CCCCO2)c1	296814508	VCZWITCVCDOIND-LBPRGKRZSA-N	316.354	1.013	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cccc1[N+](=O)[O-]	292679504	DYLRZMNPASMZGG-UFBFGSQYSA-N	322.321	1.623	50	20	DDGD	
Cc1cc(=NC(=O)NNC(=O)c2cccnc2)c2ccccc2[nH]1	809887797	LFMRIYTUTOSHBY-UHFFFAOYSA-N	321.340	1.827	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1cnnn1-c1ccccc1	807960272	DFMONBVMUNGUGW-UHFFFAOYSA-N	323.360	1.382	50	20	DDGD	
COc1ccc(NNC(=O)c2nc3cccnc3s2)nc1	801214954	BZZLRUCCHNPXSR-UHFFFAOYSA-N	301.331	1.852	50	20	DDGD	
CC1(C)CC(=NNC(=O)N2CCOCC2)c2sc(N)nc2C1	814820055	RRHSSZXFRJRULQ-UHFFFAOYSA-N	323.422	1.444	50	20	DDGD	
O=C(CC1CC1)NN=C1C(=O)Nc2c(F)cc([N+](=O)[O-])cc21	814987061	RCSBNAZWOSOVEE-UHFFFAOYSA-N	306.253	1.306	50	20	DDGD	
CN(NC(=O)C(=O)Nc1cc(C2CC2)n(C)n1)c1ccccc1	810393432	MWJWFXWWVVBIBW-UHFFFAOYSA-N	313.361	1.404	50	20	DDGD	
CC(=O)N[C@H](CC(=O)NN(C)C1CC1)c1ccc(F)cc1F	819648674	NSPWKZFZPPHDLA-CQSZACIVSA-N	311.332	1.658	50	20	DDGD	
C[C@H]1C(=NNC(=O)CN2CCCC2=O)CC[C@H](C(=O)O)C1(C)C	814761279	SQGWJAJSBLJQDQ-WDEREUQCSA-N	323.393	1.238	50	20	DDGD	
COCCCNC(=O)NN=Cc1conc1Cc1ccccc1	814818455	SPIWMGXJXLRWJN-UHFFFAOYSA-N	316.361	1.935	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1O)c1cn(C)nc1C	814952198	OZJOZTSEAMRPOX-UHFFFAOYSA-N	302.334	1.353	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNC(=O)c2ccccc2)nc1	814693460	QYYBSFSWIUQMSP-UHFFFAOYSA-N	313.313	1.333	50	20	DDGD	
O=C(NN=Cc1cc2ccccc2o1)[C@@H]1CCS(=O)(=O)C1	812455734	QNTLQMOEBIAJCL-LLVKDONJSA-N	306.343	1.318	50	20	DDGD	
O=C(NNC(=S)NC1CCC1)c1cccc2cccnc12	814196606	HRJNJXINIBPOAU-UHFFFAOYSA-N	300.387	1.896	50	20	DDGD	
CCN1C[C@H](C(=O)NNc2cc(Cl)nc(Cl)c2)CC1=O	819740891	ANRVFQOVWXKEAP-SSDOTTSWSA-N	317.176	1.700	50	20	DDGD	
CC(C)c1cnc(C=NNC(=O)C(=O)Nc2ccccn2)s1	814869872	ZAYVWVYDYYNZJF-UHFFFAOYSA-N	317.374	1.750	50	20	DDGD	
COc1ccccc1OCCCNC(=O)NNC(=O)C(C)C	729231594	ZNVUPXWATHABHI-UHFFFAOYSA-N	309.366	1.451	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1ccccc1	825582861	GQMWCMXWJRZCMM-DYEKYZERSA-N	305.378	1.546	50	20	DDGD	
CC[C@H](CC(=O)NNc1nnc(C)c(O)n1)c1ccccc1	728962248	KSRPMZULKHIAAP-LLVKDONJSA-N	301.350	1.913	50	20	DDGD	
O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1F)NC1CCCC1	824348828	AIAFBCAOWRGBKW-UHFFFAOYSA-N	310.285	1.621	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cc([C@H]2CCCOC2)nn1C	490906677	DVZXVFBZVRREBH-OCUQMRJBSA-N	304.350	1.697	50	20	DDGD	
COCCOc1ccc(C(=O)NN(C)[C@H](C)CO)c(Cl)c1	823934334	FGPVCMTZTLHVJZ-SNVBAGLBSA-N	316.785	1.323	50	20	DDGD	
C=CCOc1ccc(/C=C\C(=O)NN(C)C(N)=O)cc1OC	492366806	VSBAHEIWBJZZHR-VURMDHGXSA-N	305.334	1.315	50	20	DDGD	
O=C(C=C1CCC1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	826399276	RSRFMPVDNYHWQH-UHFFFAOYSA-N	305.729	1.469	50	20	DDGD	
C[C@@H](C=NNC(=O)[C@H]1CCCCO1)CNC(=O)OC(C)(C)C	497092065	HSUDYBCGWHXIGO-VXGBXAGGSA-N	313.398	1.818	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cccn1C)c1cccs1	726448054	CQHPUHIOAYLCBR-SECBINFHSA-N	308.432	1.957	50	20	DDGD	
CCCN(NC(=O)C1(OC)CCOCC1)C(=O)OC(C)(C)C	495630441	DEMINVZGBHDYHP-UHFFFAOYSA-N	316.398	1.860	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNC(=O)Cc1ccccc1C)C(C)C	820974666	HMAUMCURONFVRC-HNNXBMFYSA-N	320.389	1.520	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CC(C)(C)[C@@H]2[C@H]2CCCO2)cn1	491162565	SFKLGGSQFFRJEL-YGTTZKIMSA-N	314.389	1.743	50	20	DDGD	
COc1cccc(NNC(=O)/C=C\CN(C)CC(F)(F)F)n1	492933976	ZMDOFVSEHUJHTK-XQRVVYSFSA-N	318.299	1.584	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1c(-n2cccc2)sc2c1CCC2	823938967	DBJRZBMLDHJXEK-LLVKDONJSA-N	319.430	1.985	50	20	DDGD	
C#Cc1ccc(C(=O)NNc2nc(-c3cccnc3)no2)cn1	728970258	MSPRXDQFBRYWMG-UHFFFAOYSA-N	306.285	1.265	50	20	DDGD	
COc1cccc([C@@H](NCc2ccc(B(O)O)o2)C(C)(C)C)c1	585030422	FXTPDJMVKGAULC-MRXNPFEDSA-N	317.194	1.845	50	20	DDGD	
CC(C)[C@H](CNCc1ccc(B(O)O)cc1)Nc1ccccc1	585015222	SYMIKJUEVVWZRL-SFHVURJKSA-N	312.222	1.593	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CC[C@@H](C2CCCCC2)C1	585007191	LCPSDXASLRBCNV-OAHLLOKOSA-N	301.195	1.409	50	20	DDGD	
O=C(N[C@H](Cc1ccccc1)C1CC1)c1cccc(B(O)O)c1	584951623	XRYPVLIEGZTNHU-QGZVFWFLSA-N	309.174	1.118	50	20	DDGD	
Cc1cccc(CCCNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)n1	826772992	IKSRESYPELFWDG-JSGCOSHPSA-N	320.393	1.078	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@]2(O)CCc3ccccc32)cn1	491084823	PGPZLLQNHNANQD-CQYSBYMNSA-N	322.368	1.277	50	20	DDGD	
CN(CCc1ccccc1)CC(=O)NN=c1cc[nH]cc1Cl	821978597	XCJJUNHDTFIYPM-UHFFFAOYSA-N	318.808	1.775	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1ccccc1C(F)(F)F)NC1CC1	900383216	BPXFXWFCZOAJLU-JTQLQIEISA-N	317.267	1.232	50	20	DDGD	
Cc1nc(CCC(=O)NNC(=O)c2ccc(C#N)cc2)cs1	733143490	KYFCYXFQSMXROY-UHFFFAOYSA-N	314.370	1.717	50	20	DDGD	
CCOCC(=O)NN=Cc1ccc(OC)c(OC)c1Cl	731154134	VHJRKOWCHOERRM-UHFFFAOYSA-N	300.742	1.844	50	20	DDGD	
COC(=O)NNC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C	490555441	DNWKUJDSTHMHKL-UHFFFAOYSA-N	317.349	1.890	50	20	DDGD	
CNC(=O)NCc1cn(/C(Cl)=C\CBr)nn1	900545508	DERJOERPSYLZHR-UQCOIBPSSA-N	308.567	1.139	50	20	DDGD	
CCn1ncc(C(=O)NNC(=S)NC(C)(C)C)c1C1CC1	900001037	CZAUPNNTGLYKIQ-UHFFFAOYSA-N	309.439	1.688	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C(C)c1cnn(C)n1	834922874	ZNRPMAOBKUPUIA-UHFFFAOYSA-N	317.349	1.133	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1cc(OC)c(OC)cc1C(=O)O	737129721	OVEZXHPEQLBEME-CMDGGOBGSA-N	320.301	1.784	50	20	DDGD	
COC[C@@H](C)CNC(=O)NNC(=O)COc1cc(C)ccc1C	737064658	JGWXCJDGUSWDPW-LBPRGKRZSA-N	323.393	1.295	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H]2CCCC(=O)N2C)cc1	905129417	RYZVKPJVDBJGJL-CYBMUJFWSA-N	303.362	1.021	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCC[C@@H]2CCCN(C)C2)n1	838770729	YSDCBGPTZIMSKX-ZDUSSCGKSA-N	306.414	1.451	50	20	DDGD	
Cc1cc(NNC(=O)CNC(=O)O)ccc1Br	738241389	UWWRXWXLHQHBHI-UHFFFAOYSA-N	302.128	1.468	50	20	DDGD	
CCCN1CCC[C@H](C(=O)NNc2cc(Cl)nc(N)n2)C1	907306544	KQJYYBVYHJLBMB-VIFPVBQESA-N	312.805	1.277	50	20	DDGD	
O=C(NN=Cc1c[nH]c2ccccc12)[C@@H]1CCS(=O)(=O)C1	730577324	GWGCCJSWLXYQEK-SNVBAGLBSA-N	305.359	1.053	50	20	DDGD	
CC1(C)CCN(C(=O)c2cccc(B(O)O)c2)c2ccccc21	584992346	JZIIUDSJMKDTBZ-UHFFFAOYSA-N	309.174	1.695	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@H]2CCC[C@@H](C(=O)O)C2)cc1	833072737	YEPYCPGGDXEXSV-QWHCGFSZSA-N	315.329	1.210	50	20	DDGD	
COc1cc(F)cc(C[C@H](C)NC(=O)NNc2ccncn2)c1	836669186	JEBNCWLJVPLPKG-JTQLQIEISA-N	319.340	1.882	50	20	DDGD	
Cc1ccc([C@H](C)[C@@H](O)C(=O)NNC(=O)[C@H]2CCCCO2)cc1	833778959	LPMSLQZRJQTITK-NWANDNLSSA-N	320.389	1.176	50	20	DDGD	
CCC(=O)NN=C(CNC(=O)c1ccc([N+](=O)[O-])cc1)C(C)C	734744040	XSFQWFDFEUHJIO-UHFFFAOYSA-N	320.349	1.863	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1ccc2cc(O)ccc2c1	833385009	QZLCVYGUDBEGPF-UHFFFAOYSA-N	301.302	1.653	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@]2(C)CCCCO2)nc1C	837516362	DYTNQQUOTXRKQG-HNNXBMFYSA-N	322.365	1.364	50	20	DDGD	
CCN1CCCC[C@@H]1CNC(=O)NNC(=O)CC(F)(F)F	732470991	IRFKOPLOQKDOEQ-SECBINFHSA-N	310.320	1.144	50	20	DDGD	
CC(C)c1ncsc1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	831849532	ZHYNIFGRHROIHL-DTWKUNHWSA-N	312.395	1.844	50	20	DDGD	
CC[C@@H](NC(=O)c1cccc(B(O)O)c1)[C@@H](C)c1ccccc1	584956803	IDODIGFTKSDWGB-SUMWQHHRSA-N	311.190	1.679	50	20	DDGD	
Cc1cc(Br)nc(NC(=O)NNC(=O)C2CC2)c1	836761261	KCVSPLIAZREGIB-UHFFFAOYSA-N	313.155	1.715	50	20	DDGD	
O=C(NNC(=O)c1cnn(-c2ccccc2)c1)NOCC1CC1	838609364	LMBWLTNJWPSOEI-UHFFFAOYSA-N	315.333	1.158	50	20	DDGD	
CC1(C)CCC[C@H](NC(=O)NNC(=O)N=c2cc[nH]cc2)C1	836416484	AIEQJBCAKCLJDS-LBPRGKRZSA-N	305.382	1.808	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccn(-c2ccccc2F)n1	915070208	BLORDRAWUIUWAN-UHFFFAOYSA-N	316.336	1.963	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1ccc(C(N)=O)cc1	915952979	MYRRZHAYUMLHBP-ZDUSSCGKSA-N	316.405	1.358	50	20	DDGD	
Cc1cccc(C=NNC(=O)Cc2cc(O)nc(O)n2)c1C	743446499	WZTGSIHOXXGASJ-UHFFFAOYSA-N	300.318	1.197	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)Cc1ccncc1)c1ccccc1	747575643	SWJBFBCJNWKULW-ZDUSSCGKSA-N	312.373	1.758	50	20	DDGD	
C[C@H]1c2ccc(F)cc2CCN1CC(=O)NNC(=O)C(C)(C)C	744404344	OIVCVKMXALWKID-NSHDSACASA-N	321.396	1.938	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1C[C@@H](OCC)C1(CC)CC	749614721	HQNPNPFZFWGBGK-VXGBXAGGSA-N	315.414	1.337	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1nsc2ccccc12	911502596	KDKHQZRJZUUEGU-BDAKNGLRSA-N	305.359	1.482	50	20	DDGD	
COc1nc(Cl)c(C=NNC(=O)[C@H]2CCO[C@H]2C)s1	842550851	ALZFTXLFXPTNOP-BQBZGAKWSA-N	303.771	1.680	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Cc1cc(C)no1)c1ccccc1	845480590	IKYZUBCZVZISIH-AWEZNQCLSA-N	301.346	1.867	50	20	DDGD	
Cc1ccc(F)c(OCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	843655728	WGFIZCVUUWOELM-MNOVXSKESA-N	310.325	1.085	50	20	DDGD	
C[C@@H](CN1CCOCC1)NC(=O)NNc1cc(F)ccc1F	914084607	KWUKCCIGTUTSOT-JTQLQIEISA-N	314.336	1.312	50	20	DDGD	
C[C@@H](COCC(=O)NNC(=O)c1cnn(C)c1)c1ccccc1	844392788	BKJOCJOTSTYJJL-LBPRGKRZSA-N	316.361	1.001	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1ccc(C(=O)O)cc1	916364120	DBHQNGCGZGUSEN-CYBMUJFWSA-N	317.389	1.957	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N(C)C)cc1Br	746007809	BYWLAUHXPZHHLD-UHFFFAOYSA-N	316.155	1.374	50	20	DDGD	
CCN(C)[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccccc1	843662814	SXBOFOAMYNSZHK-YUELXQCFSA-N	319.405	1.252	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@](O)(CN2CC=C(C#N)CC2)C1	846841521	OKBHDQVGSCYRFA-INIZCTEOSA-N	307.394	1.514	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSc1ccc(Cl)nn1	747806493	RVGROKXUKMURDZ-UHFFFAOYSA-N	302.787	1.416	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCc2cccc(F)n2)cc1	747949474	AEJGPKUHHPDWKL-UHFFFAOYSA-N	313.292	1.237	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1c(C)n(C)c2ccc(OC)cc12	843848794	CAVXDAMQSBEWKL-UHFFFAOYSA-N	318.377	1.801	50	20	DDGD	
CNC(=O)Nc1cccc(C(=O)NNC(=O)CC(F)(F)F)c1	911424240	BREABZQXIDZSMD-UHFFFAOYSA-N	318.255	1.151	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)COC[C@H](C)c1ccccc1	845455306	OLDUDOROWXBETO-NSHDSACASA-N	316.361	1.299	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@]12CCc1ccccc12)c1ncccn1	841351027	ZNKRXHZYPRYISJ-CXAGYDPISA-N	308.341	1.142	50	20	DDGD	
C[C@@H]1C[C@@H](CC(=O)NNC(=O)CN2CCCC2=O)CC(C)(C)C1	913731115	UTDCZNLIFORQHI-OLZOCXBDSA-N	323.437	1.609	50	20	DDGD	
O=C(Cc1ccc2c(c1)OCO2)NNC(=O)c1ccccc1F	918548855	BCLULJXAJWIOBY-UHFFFAOYSA-N	316.288	1.558	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cnc2ccsc2c1	742036485	JXMBPAPGHGGGQN-UHFFFAOYSA-N	300.343	1.710	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)C(C)(C)Cc1nc2ccccc2[nH]1	910150120	NWTIXAVAQFDAIY-LLVKDONJSA-N	304.394	1.475	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCC1CCNCC1	846698527	ANHSISFWJKIKHD-UHFFFAOYSA-N	312.845	1.858	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	841435453	UBNRWKUTBYAIMS-AWEZNQCLSA-N	322.409	1.966	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2cc(C)nn2C)n1	841605245	XXKNQOJYHJUODM-UHFFFAOYSA-N	318.406	1.378	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)c1coc(C2CC2)n1	848321770	CZBIZWPMSGZSPQ-UHFFFAOYSA-N	324.138	1.861	50	20	DDGD	
COc1ccccc1OCCC(=O)NNC(=O)[C@H]1CCO[C@H]1C	843641634	TWBSIPZJOWWUAR-RYUDHWBXSA-N	322.361	1.037	50	20	DDGD	
O=C(O)Nc1ccccc1C(=O)NNC(=O)NC1CCCC1	740046342	SXHRSCSSNWFUHR-UHFFFAOYSA-N	306.322	1.663	50	20	DDGD	
O=C(NN=C1CCCn2ccnc21)[C@@H]1COc2ccccc2O1	848399121	JNWDTFGPOMSYBU-AWEZNQCLSA-N	312.329	1.337	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSC(=S)N1CCCC1	849192892	IJWSVVCIHHEOSV-UHFFFAOYSA-N	303.453	1.294	50	20	DDGD	
CCC(=O)c1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)ccc1F	843660986	LYWBOABKGNMXIR-ONGXEEELSA-N	322.336	1.604	50	20	DDGD	
NNC(=O)Nc1cc(Br)ccc1N1CCOCC1	841060106	HAJZEVCOMRQMHN-UHFFFAOYSA-N	315.171	1.281	50	20	DDGD	
COc1cc(Cl)cc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)c1O	842560573	GSXKDRJCXNRQLA-LDYMZIIASA-N	312.753	1.929	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)C[C@H]2CSCCS2)c1	751888295	DCWGFGAURMJTND-LBPRGKRZSA-N	321.427	1.558	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)CN1C1CC1	753956473	UHZYOWKDFKWXOM-SECBINFHSA-N	317.349	1.519	50	20	DDGD	
C[C@@H]1OC(=O)N[C@@H]1C(=O)OC[C@H](CBr)C1CC1	859666485	NSSIOKUDRRXSQV-XVYDVKMFSA-N	306.156	1.448	50	20	DDGD	
CSc1ccc(NC(=O)NNC(=O)c2ccncc2)nc1	758003296	LJXZXEVFJSSJKU-UHFFFAOYSA-N	303.347	1.665	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)C(C)(C)C)c1coc(C)n1	853408596	VHXXPFVUUZEAHI-UHFFFAOYSA-N	308.382	1.766	50	20	DDGD	
C[C@@H](CC(=O)NNC(=S)N[C@@H](C)C1CC1)c1cnn(C)c1	855096225	UNLLWZMCKVYAOL-UWVGGRQHSA-N	309.439	1.208	50	20	DDGD	
CCOCCn1cc(C(=O)NNc2cc(F)cc(OC)c2)cn1	857151481	JKPUIJRCJKFYAR-UHFFFAOYSA-N	322.340	1.824	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C1CC1	852598564	XDUAYOLTFLHIOD-RISCZKNCSA-N	319.361	1.345	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CC[C@@]1(C)CCC(=O)N1	753434754	RJHHBTUKWDPEMW-MRXNPFEDSA-N	319.361	1.365	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1nc(Cl)ccc1F	759018877	CUDOEOHKOOPHGQ-UHFFFAOYSA-N	308.700	1.273	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1cncc(F)c1	759108767	DEDCXGFFOKJEPY-UHFFFAOYSA-N	304.237	1.204	50	20	DDGD	
CC(C)c1nocc1C(=O)NNC(=O)c1cccc(N(C)C)c1	858158595	MVTQTTCADXRRNT-UHFFFAOYSA-N	316.361	1.939	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NN=C2CN(C)C[C@H]2C)cc1	752164655	WITAIQGDVDAWNF-CHWSQXEVSA-N	319.405	1.906	50	20	DDGD	
C[C@@H](Cc1ccc(F)cc1)C(=O)NNC(=O)c1cccn1C	921022953	RJMOFGPBPJARGD-NSHDSACASA-N	303.337	1.804	50	20	DDGD	
CNC(=S)N(C)NC(=O)C[C@@H](C)c1ccc(F)cc1F	854922559	CJCBNJIRSAZBKT-MRVPVSSYSA-N	301.362	1.926	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(-c2ncco2)ccc1C	757783637	FKTWJNDOXGREFG-UHFFFAOYSA-N	318.333	1.839	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)NC[C@H](C)S(C)(=O)=O	921640106	LOQUHZLVKOVHKP-VIFPVBQESA-N	319.814	1.708	50	20	DDGD	
O=C(NNC(=O)c1ccnn1C(F)F)OCC(F)(F)F	856026070	LFRYPVWLPPMPEL-UHFFFAOYSA-N	302.159	1.212	50	20	DDGD	
C#CC[C@@H](NC(=O)NNC(=O)Cc1ccncc1)c1ccccc1	757059898	XBTAFUOMJCLVNG-MRXNPFEDSA-N	322.368	1.719	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCc2cncn2C1	855626473	GPCSQNXQZPPACJ-SECBINFHSA-N	319.296	1.636	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(O)c(CC)c1	854388432	KGVZWDILLNYWIR-UHFFFAOYSA-N	324.377	1.505	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccccc2Cl)CC1)c1cc[nH]n1	855356972	VZYFWJPHVHNPQG-UHFFFAOYSA-N	318.764	1.847	50	20	DDGD	
CC1(C)[C@]2(C(=O)NNC(=O)C3CCCC3)CC[C@@]1(C)C(=O)O2	858427848	IWKHAGWHHREDCK-JKSUJKDBSA-N	308.378	1.446	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](COC)c1cccc(OC)c1	855526762	VBGAHWYJZWHDJH-NRMKIYEFSA-N	304.346	1.943	50	20	DDGD	
CCn1cc(CNC(=O)NNC(=O)c2cc(C)cs2)cn1	858451569	UXTRYQXCOQYHJE-UHFFFAOYSA-N	307.379	1.417	50	20	DDGD	
N#CSCCCNC(=O)C[C@H]1C(=O)Nc2c(F)cccc21	935842933	FGFVHVLCRWSCLI-SNVBAGLBSA-N	307.350	1.972	50	20	DDGD	
CC(C)C(=O)NNC(=O)CCCc1ccc2c(c1)OCCCO2	858143645	QDLIPLUTSOWZIH-UHFFFAOYSA-N	320.389	1.974	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)c1ccc(OC)c(OC)c1	758848301	ZWQIKBZKDWYWQD-UHFFFAOYSA-N	319.361	1.451	50	20	DDGD	
Cc1cccc(C)c1CCNC(=O)NNC(=O)c1cn[nH]c1	858301930	DZCYMNCXTLSUHX-UHFFFAOYSA-N	301.350	1.213	50	20	DDGD	
CC1CC(CNC(=O)NNC(=O)CCOc2ccccc2)C1	856827190	GGKLCEZNKOKCLV-UHFFFAOYSA-N	305.378	1.832	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(OCc2ccccc2)nc1	751372629	WQBWCTZADSHBNT-UHFFFAOYSA-N	314.345	1.625	50	20	DDGD	
Cc1nc(NC(=O)NC[C@@]2(C)C[C@H]2Br)nn1C	856868254	KWMOSKHLDBZXON-GMSGAONNSA-N	302.176	1.419	50	20	DDGD	
CC(=O)N/C(=C/c1cccs1)C(=O)NN[C@H](C)C(F)(F)F	862322373	HVQRVPWWOHTYQV-VSUWBIFXSA-N	321.324	1.797	50	20	DDGD	
CC(C)CCOc1ccc(C=NNC(=O)[C@@H]2CCC(=O)N2)cc1	863144790	ALYMFEJRXMHHKC-HNNXBMFYSA-N	317.389	1.840	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccc(OCC(F)F)nc1	761298805	IHXMARPGJKXUCG-UHFFFAOYSA-N	313.304	1.677	50	20	DDGD	
C[C@H](NNC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O)C(F)(F)F	862307548	MUBRXIULNXMEOB-HCWXCVPCSA-N	321.221	1.015	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cccc2cc(O)ccc12	868619302	KBAUSTDWWLULQG-HNNXBMFYSA-N	314.341	1.876	50	20	DDGD	
COC(=O)c1coc(C(C)=NNC(=O)Cn2nc(C)cc2C)c1	766432377	KGSXTTNCKNUOCK-UHFFFAOYSA-N	318.333	1.420	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1	763441970	OXCKYIUTMQIKHX-UHFFFAOYSA-N	319.239	1.081	50	20	DDGD	
COc1ccc(C)cc1CC(=O)NNC(=O)c1cc(C)[nH]n1	765586484	XGLBWYTZVQPFIY-UHFFFAOYSA-N	302.334	1.039	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCC(C)(C)CC1	766878020	MAEIHTZAZJWKBZ-UHFFFAOYSA-N	317.433	1.807	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cnn(CC3CC3)c2)c1	867292709	RZSYROAOFJKZCV-UHFFFAOYSA-N	314.345	1.837	50	20	DDGD	
CC(C)(C(N)=O)C(=O)NNc1ccc(OCC(F)(F)F)cc1	768090146	KQRLQARFXARBAE-UHFFFAOYSA-N	319.283	1.582	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C2(C(F)F)CCCC2)n[nH]1	869017555	NGNZJBADOUZBOR-UHFFFAOYSA-N	300.309	1.234	50	20	DDGD	
C[C@@H](NNC(=O)Cn1cc(Br)cn1)C(F)(F)F	862310491	YJTWOGXFOYUZIU-RXMQYKEDSA-N	315.093	1.217	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cc(COc2ccccc2F)on1	767046741	UMBAIWWEXFHTIR-UHFFFAOYSA-N	321.308	1.810	50	20	DDGD	
Cc1cc(C(F)(F)F)ccc1C=NNC(=O)[C@H]1CCC(=O)N1	863153400	TXGGRYXJTQIPCH-LLVKDONJSA-N	313.279	1.743	50	20	DDGD	
CO[C@H](C)CCNC(=O)NNc1ccccc1S(C)(=O)=O	765753334	FHTWXEWRMQWEOB-SNVBAGLBSA-N	315.395	1.141	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cncc(N2CCCC2)n1	864429794	BYMYSRGYFBEWHX-UHFFFAOYSA-N	307.354	1.246	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NC[C@@H]2COCO2)cc1	861964326	HSSFFIBRWJCUBB-LPYTZGJOSA-N	302.330	1.481	50	20	DDGD	
CC(C)c1[nH]nc(C(=O)NN[C@H](C)C(F)(F)F)c1[N+](=O)[O-]	862315323	UHLLWKQSVRIXHK-RXMQYKEDSA-N	309.248	1.627	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NNc1cc(C#N)cc(Cl)n1	769078128	MURBAVHKUAQCKU-JTQLQIEISA-N	323.784	1.018	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1cnn(C)n1	873854432	ZURNNZHSDLQZGH-UHFFFAOYSA-N	318.406	1.317	50	20	DDGD	
COCC(=NNC(=O)c1ccc(OC)cc1)C1CCOCC1	1116684935	YUSRJLWNDUVQAC-UHFFFAOYSA-N	306.362	1.854	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNC(=O)CNc1ccccc1)C(C)C	878017159	GVMGWWYTHZYNMA-CQSZACIVSA-N	321.377	1.081	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H]2CCCN2C=O)c1	873756140	FGWJUOQNNOJNQX-ZDUSSCGKSA-N	320.418	1.242	50	20	DDGD	
Cc1cc2c(cc1C)[C@H](C(=O)NNC(=O)c1c[nH]nc1C)CO2	771326220	IGHLTXNEJXEHDW-CYBMUJFWSA-N	314.345	1.272	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)COC2(C)CCC2)c1	772950665	CZKKUMMSHKMDNF-UHFFFAOYSA-N	322.361	1.424	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC12CCOCC2)c1ccccc1Cl	1116209388	MKOOUIOAAVYUKY-NSHDSACASA-N	308.765	1.918	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)N[C@H]1CC12CCC2	873259607	HVZYAIIINSYFME-LBPRGKRZSA-N	313.361	1.150	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN[C@H](c2cccc(OC)c2)C1	870149964	HONSKUXOYLJDFO-GRNBYLDVSA-N	315.373	1.612	50	20	DDGD	
C[C@H](NCC(=O)NNC(=O)c1ccccc1)c1ccc(C#N)cc1	775160933	JRDMFFMWTLCFKQ-ZDUSSCGKSA-N	322.368	1.670	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)NC/C=C/C2CC2)c1	1117863757	BIKIEKJMNKXTSG-ONEGZZNKSA-N	309.391	1.682	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)N[C@H]1CC12CCC2	876428185	UZDRTQVCPNXWHI-LBPRGKRZSA-N	307.325	1.478	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)[C@@H]1CC12CCSCC2	874956022	IDFADPDSCUKIGT-JTQLQIEISA-N	322.459	1.933	50	20	DDGD	
O=C(COC(=O)C1[C@H]2CCC[C@H]12)NNC(=O)c1ccccc1	776702841	NTDLDVUZXZNXLI-RYUDHWBXSA-N	302.330	1.037	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1cnc(C2CC2)o1	878018756	YVEMKDPRGXTCSH-UHFFFAOYSA-N	300.318	1.425	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCN([C@H]2CCC[C@H](C)C2)CC1	779817294	OEOAQFWNMLJYBF-JSGCOSHPSA-N	324.425	1.489	50	20	DDGD	
COCc1ccccc1S(=O)(=O)NNC(=O)c1ccc(C)o1	778565411	UCMLVMUMXZLAKM-UHFFFAOYSA-N	324.358	1.358	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NNC(=S)NC(C)C	1116632535	BUHBGGOBELOGIV-VXGBXAGGSA-N	301.456	1.876	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H](C)Cc2cnc[nH]2)c1	873776233	BDPIXVGWMXQHOK-LLVKDONJSA-N	317.418	1.915	50	20	DDGD	
C#CCCCCCC(=O)NNC(=O)COc1ccc(C#N)cc1	779867717	YHJMBZCAIZNYGH-UHFFFAOYSA-N	313.357	1.668	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)c1	873777394	OPDBFXIDWRASKU-UHTWSYAYSA-N	317.414	1.928	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1ccc2nc[nH]c2n1	770549294	MBKPVSYYOWIQKB-UHFFFAOYSA-N	320.312	1.514	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)C2CCOCC2)ccc1C	883069580	OILMYJKSWSVXPB-UHFFFAOYSA-N	304.346	1.385	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C(=O)NNc2cnccn2)c1C	775278574	KNKWPOPYMZSEIM-UHFFFAOYSA-N	303.322	1.355	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2(F)CCCC2)cc1OC	771859198	QEVHXSNHIVFOCO-UHFFFAOYSA-N	310.325	1.747	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CC[C@@]2(C)CCC(=O)N2)cc1	770548879	IDMBXCUAHWIYKK-QGZVFWFLSA-N	317.389	1.459	50	20	DDGD	
COc1cccnc1NC(=O)NNC(=O)Cc1ccccc1F	771801305	RAZFJXQOEQZTKV-UHFFFAOYSA-N	318.308	1.625	50	20	DDGD	
C[C@H](Sc1ccccn1)C(=O)NNC(=O)C1CCOCC1	883065477	MHKRAFWPQIVDNX-JTQLQIEISA-N	309.391	1.136	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2ccc(C(F)(F)F)cc2)C1=O	773458287	CGUQTIXPPHBCPZ-SNVBAGLBSA-N	301.268	1.627	50	20	DDGD	
COc1cc(C=O)cc(OC)c1OS(=O)(=O)CCCCl	881734446	LVUUWFSVCZNUNA-UHFFFAOYSA-N	322.766	1.854	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NNc1ccc(F)cc1Cl	885136689	FBKXKUKULNVCBR-SNVBAGLBSA-N	302.737	1.759	50	20	DDGD	
O=C(CCc1cnc[nH]1)NNC(=O)c1cc(-c2ccccc2)[nH]n1	788624058	HTYWQQLIIHPTSC-UHFFFAOYSA-N	324.344	1.194	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H](C)[C@@H]2CCCOC2)c1	780863151	RTGYBKXPAADBEG-DGCLKSJQSA-N	321.377	1.914	50	20	DDGD	
COc1ccc(C=O)c(OCC(=O)NNc2ccnc(F)c2)c1	781362245	QSLWSFVTTOYONU-UHFFFAOYSA-N	319.292	1.564	50	20	DDGD	
COc1cc(C(C)=NNC(=O)COc2ccccc2C#N)ccn1	782152324	SSXKGZHVINKXIA-UHFFFAOYSA-N	324.340	1.881	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@@H](O)c1ccccc1Cl	881928467	MAAOHARRSCLTGY-LLVKDONJSA-N	312.218	1.922	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2csnc2C)cc1C	781237568	CQBQLRSAQRJAPB-UHFFFAOYSA-N	319.386	1.908	50	20	DDGD	
Cc1ccc([C@H]2C[C@H](C)N(CC(=O)NNC(=O)C3CC3)C2)cc1	786124189	DETDZJIOQUNJMT-BBRMVZONSA-N	315.417	1.730	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)n1	884384326	JVMOBPFJAFHKAK-UHFFFAOYSA-N	300.274	1.373	50	20	DDGD	
COC[C@@H](NC(=O)NNc1cc(Cl)ccn1)[C@H]1CCCO1	789842523	MWLYAPAPTYXIKT-GHMZBOCLSA-N	314.773	1.555	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@]1(O)CCCc2ccccc21	881919721	ABNUKWWWFCHHOI-CQSZACIVSA-N	317.838	1.759	50	20	DDGD	
O=S(=O)(CCCCl)N1CC[C@@H](OCc2ccccn2)C1	882000872	GUTPBGCCJNZLKT-CYBMUJFWSA-N	318.826	1.631	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@@H](F)C(C)C	784306453	BGUVTTVFBLNDOY-HNNXBMFYSA-N	324.352	1.222	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc(C3CC3)cc2)nn1	783953533	PPDCEWQJJOYYFL-UHFFFAOYSA-N	311.345	1.744	50	20	DDGD	
O=C(NN=Cc1cn(Cc2cccnc2)nn1)c1ccc(O)cc1	783781928	BMCCHSHBIPKSCX-UHFFFAOYSA-N	322.328	1.191	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC(=O)c2cccn21)c1ccccc1F	788719495	FZDTVHGQSOYPNB-ZDUSSCGKSA-N	315.304	1.606	50	20	DDGD	
CC[C@@H](O)[C@H](C)C(=O)NNC(=O)c1ccc2ccccc2n1	899903884	BHQAOPCKYVFQFA-IINYFYTJSA-N	301.346	1.403	50	20	DDGD	
COc1cccc(NNC(=O)CCCOc2cccnc2)n1	780774127	IFZKZCOZNJTTQP-UHFFFAOYSA-N	302.334	1.788	50	20	DDGD	
CSSCCNC(=O)N1CCC[C@H](N2CCCC2=O)C1	790879195	OGRJFSJSUGYPEU-NSHDSACASA-N	317.480	1.794	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCc3ccccc32)n1	794080744	WZAQJBBMIOKDAJ-UHFFFAOYSA-N	310.357	1.214	50	20	DDGD	
C[S@](=O)CCNC(=O)NNc1cc(Cl)cc(Cl)c1	790391391	JHMISEVSFCXCBO-SFHVURJKSA-N	310.206	1.998	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@@H](O)Cc1ccccc1	793704794	MBWKJLJGTABDLP-AWEZNQCLSA-N	301.302	1.642	50	20	DDGD	
C=C[C@@H](NNC(=O)[C@@H](C)Oc1ccc(OCC)cc1)C(=O)OC	799976737	VKWBMJWEMDLRGJ-BXUZGUMPSA-N	322.361	1.201	50	20	DDGD	
COc1cccc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)n1	790136605	NRVPIQYARSKCDG-UHFFFAOYSA-N	300.274	1.762	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2cccc(C)c2Cl)n[nH]1	792604486	CFMBNRQYKAGBMX-UHFFFAOYSA-N	306.753	1.684	50	20	DDGD	
COc1cc(NNC(=O)c2cnc(N(C)C)cn2)ccc1Cl	790179745	DKIUTAKZSDEJED-UHFFFAOYSA-N	321.768	1.962	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21)C(=O)NC1CC1	794622142	WXDXGJCEKXYLJC-WCFLWFBJSA-N	307.394	1.019	50	20	DDGD	
CO[C@]1(C)CCCN(CC(=O)NNC(=O)c2ccc(C)cc2)C1	791555174	GQESGWPDZQRPIA-QGZVFWFLSA-N	319.405	1.257	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@H](N2CCCC2)C[C@H]1C	796431916	YTQLNVDBLVIJJB-QLFBSQMISA-N	324.469	1.127	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCc2ccc(C#N)cc21	1319508071	SZGDXRMDZSNXPB-UHFFFAOYSA-N	300.362	1.114	50	20	DDGD	
COc1cc(C(=O)NNC(=O)NCCc2cccs2)ccn1	1318030312	RMLFNMXXGYPYFT-UHFFFAOYSA-N	320.374	1.338	50	20	DDGD	
COc1ccc(CNC(=O)NNc2nncc(N)c2Cl)cc1	1319310028	VAPNWLXQDGKLBW-UHFFFAOYSA-N	322.756	1.547	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1ccc(Br)cc1O	1319572742	PMGOTYQOIPIIPU-UHFFFAOYSA-N	315.123	1.168	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C(C)(C)C1CCC(O)CC1	1328695818	ZTNZMGWPWRXIDK-UHFFFAOYSA-N	301.456	1.467	50	20	DDGD	
Cc1noc(CCC(=O)NNC(=O)c2ccccc2Cl)n1	1321993991	LJUZJBWYFQUMFR-UHFFFAOYSA-N	308.725	1.425	50	20	DDGD	
CCn1cc(C(=O)C(=O)NNc2nccnc2C2CCC2)cn1	1326529190	DDESLDZPUWVALR-UHFFFAOYSA-N	314.349	1.287	50	20	DDGD	
COc1c(Cl)cc(NC(=O)NNC(=O)CCO)cc1Cl	1320401058	TZWRCIIEIJUIBZ-UHFFFAOYSA-N	322.148	1.537	50	20	DDGD	
CCC[C@H](C)NC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1329505841	JMEPSLWAEADTMG-YGOYTEALSA-N	305.216	1.581	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H](C)CC(C)(C)c1ccccc1	1323435351	YVEPLHHOQGNDJQ-NSHDSACASA-N	321.377	1.246	50	20	DDGD	
COc1cc(NNC(=O)Cn2cc(C3CC3)nn2)ccc1Cl	1256232692	CCVRWXICKJPTNZ-UHFFFAOYSA-N	321.768	1.961	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2C[C@H](OC)C2(C)C)cc1	1331680751	NHCZSCJTGHSSPS-OLZOCXBDSA-N	321.377	1.453	50	20	DDGD	
CC1(CNS(=O)(=O)c2ccc(CCCl)cc2)OCCO1	716928211	FYDADIHACGZLAO-UHFFFAOYSA-N	319.810	1.509	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2cc(Cl)ccn2)nc1	1330362531	OUXBRHNEKIQSBK-UHFFFAOYSA-N	316.708	1.083	50	20	DDGD	
COc1cccc(-n2cc(C(=O)N3CC=C(C#N)CC3)nn2)c1	1411939038	UQAGLVIEHRSLAN-UHFFFAOYSA-N	309.329	1.572	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CC[C@]3(CCOC3=O)C2)c1	1263131316	RTBQAJHLYYZKAU-AWEZNQCLSA-N	323.374	1.050	50	20	DDGD	
C=C(CC)C(=O)NNC(=O)[C@H](C)Oc1ccc(OCC)cc1	1347250625	NTVPOYYNTKPAOO-LBPRGKRZSA-N	306.362	1.966	50	20	DDGD	
Cc1cccc2sc(NNC(=O)NC[C@@H]3CCN3C)nc12	1357954838	WWIMHICIXOSLEI-JTQLQIEISA-N	305.407	1.935	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@@H](CCC(=O)O)Cc1ccccc1	1609789339	KMKRRAKOXLNFGS-ZDUSSCGKSA-N	321.377	1.449	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@]1(C(=O)O)C[C@H]2CC[C@H]1C2	1602869768	FJKNKIHPLDVKES-FZNYLWTLSA-N	313.423	1.171	50	20	DDGD	
CC(C)(C)n1cnc(C(=O)NNc2ccc(C(=O)O)cc2F)n1	1609672385	JVYNQNAWKIBWSR-UHFFFAOYSA-N	321.312	1.627	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)c(F)c1)N[C@@H]1C[C@@H]2CC[C@H]1O2	1601555273	YBSVHFGULNNHIM-XXILOJSOSA-N	309.297	1.470	50	20	DDGD	
O=C(COC[C@H]1CCCO1)NNc1cccc(C(=O)O)c1F	1601337913	IEXQHHVMHGBXNW-SECBINFHSA-N	312.297	1.163	50	20	DDGD	
O=C(COc1ccccc1-c1nn[nH]n1)NN=CCCC1CC1	1609533419	YODTZEWPYHXEOR-UHFFFAOYSA-N	314.349	1.538	50	20	DDGD	
Cc1nc(CCC(=O)NNc2ccc(C(=O)O)cn2)cs1	1607953212	VWOWAYGKEKFYCB-UHFFFAOYSA-N	306.347	1.621	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@]1(C)CC1(F)F	1610286212	SUJIYVWLBSAFHM-GFCCVEGCSA-N	300.261	1.882	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC[C@H](CN)c2ccccc21	1575106710	SYWWUZKRUITDPW-GFCCVEGCSA-N	318.421	1.133	50	20	DDGD	
CCOCc1nc(C)cc(NNC(=O)[C@]2(CC)CCNC2)n1	1578126764	CBAZJSNJHHFXRT-OAHLLOKOSA-N	307.398	1.154	50	20	DDGD	
CCCN[C@@H](C)C(=O)NNC(=O)c1cn(C)c2ccccc12	1577554161	CBPBCPOZFGYTQX-NSHDSACASA-N	302.378	1.327	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1ccc(-n2ccnn2)cc1	1574578351	FOKLDLTVJFQHOW-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
CC1(C)C[C@]1(C(=O)O)C(=O)NNC(=O)c1cccc(Cl)c1	1589219038	GMKHYJQVNUOLSF-CQSZACIVSA-N	310.737	1.602	50	20	DDGD	
N[C@@H]1CCCn2nc(C(=O)NNc3ncccc3Cl)cc21	1580192083	ZBLGEOVWDJKJNW-SECBINFHSA-N	306.757	1.482	50	20	DDGD	
CC1(C)C[C@@]1(C(=O)O)C(=O)NNC(=O)c1cccc(Cl)c1	1589219037	GMKHYJQVNUOLSF-AWEZNQCLSA-N	310.737	1.602	50	20	DDGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)[C@@H](F)C1CNC1	1580737340	OXIZYJPOGVWXKY-JTQLQIEISA-N	316.789	1.215	50	20	DDGD	
N[C@@H]1CCC[C@@H]1C(=O)NNc1nc2ccccc2[nH]c1=S	1580376362	UNXOXJNAVOAMOW-DTWKUNHWSA-N	303.391	1.863	50	20	DDGD	
O=C(C[C@@H]1CNc2ccccc21)NNC(=O)OCC(F)(F)F	1580517664	MRGGVTXZXPFDED-MRVPVSSYSA-N	317.267	1.906	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)Nc1ccc(CO)cc1	1594782187	QZLVBCDBNPKWOR-UHFFFAOYSA-N	302.290	1.421	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)CCc2ccccc2C(=O)O)CCCO1	1593756287	LRFKJGVSMIYTTA-INIZCTEOSA-N	320.345	1.034	50	20	DDGD	
O=C(O)CCCCC(=O)NNC(=O)c1cc2c(s1)CCC2	1595032735	PGUHATASACOXMH-UHFFFAOYSA-N	310.375	1.643	50	20	DDGD	
CCOCCOCC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1596934645	QCSKPXJSXFRYDL-UHFFFAOYSA-N	313.262	1.252	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O	1596859564	DRSMGTKWBBBQKZ-QLKUMGTLSA-N	300.314	1.468	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@](C)(C#N)CC(=O)O)cc1F	1593882874	DGDCSOZGVYBUIF-AWEZNQCLSA-N	323.280	1.060	50	20	DDGD	
CO[C@@H]1CCN(C(=O)C2CCC(Cl)CC2)[C@H](C(=O)O)C1	1599119692	NDMBIMYKLOLYHP-HCWSGVFWSA-N	303.786	1.875	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)cc1O	1592128451	XPXWHULPFQSSKP-UHFFFAOYSA-N	311.305	1.033	50	20	DDGD	
C[C@@]1(C(=O)N[C@@H]2CCC[C@H]2CC(=O)O)C[C@H]1Br	1593755483	RQRRLHRDUMDLDL-FNOROQBZSA-N	304.184	1.920	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=C(C)c1ccc(C(=O)O)c(F)c1	1776102795	YVRMTKPBCBDQME-DGCLKSJQSA-N	308.309	1.789	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1c[nH]c2c(C(=O)O)cccc12	1776082470	SZUQRQNNRYXXNE-GXSJLCMTSA-N	315.329	1.741	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2cnn3ncccc23)cc1	1776100780	ACAGDVQGWXRLBD-UHFFFAOYSA-N	309.285	1.191	50	20	DDGD	
COC(=O)NNC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)n1	158788489	VSCLNYIYUJBQSR-UHFFFAOYSA-N	302.334	1.798	50	20	DDGD	
O=C(NN=C(c1ccccc1)c1ccccc1)[C@H]1CNCCO1	163489693	MWYIMTMXERKZMJ-MRXNPFEDSA-N	309.369	1.544	50	20	DDGD	
CCN(CC(=O)NNC(=O)Cc1c[nH]c2ccccc12)C1CC1	151210631	KHBBSGRENKARJW-UHFFFAOYSA-N	314.389	1.342	50	20	DDGD	
Cc1nn(C)c(C)c1CC(=O)NNc1ncccc1[N+](=O)[O-]	153238028	ZVOJDXJFYVBWOU-UHFFFAOYSA-N	304.310	1.026	50	20	DDGD	
CCC[C@H](C)CC(=O)NNc1nccc(N2CCOCC2)n1	155561672	ZRCUHDLYIZAVHP-LBPRGKRZSA-N	307.398	1.583	50	20	DDGD	
Cn1cc(CCNS(=O)(=O)c2ccc(CCl)cc2)cn1	312598769	VWTIZGLVHRGOQD-UHFFFAOYSA-N	313.810	1.680	50	20	DDGD	
C[S@](=O)C1(CNS(=O)(=O)c2ccc(CCl)cc2)CC1	380149548	WCWPZOZEEINZHI-SFHVURJKSA-N	321.851	1.615	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)Cc1cnn(C)c1	862287562	VHAXKECMHCNEHM-UHFFFAOYSA-N	302.334	1.262	50	20	DDGD	
O=C(CC1=CCCCC1)NNC(=O)[C@@H]1COc2ccccc2O1	106593559	BZGPDGYOXKPBKR-HNNXBMFYSA-N	316.357	1.864	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc2c(C)c(C)ccc2[nH]1	116736309	VUZXMLIPKBKUIZ-UHFFFAOYSA-N	318.377	1.765	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)N3CCOCC3)cc2C1	27338654	ODQADQJQWLGTIU-JTQLQIEISA-N	323.418	1.560	50	20	DDGD	
Cc1ccc(NNC(=O)NCCCOc2ccccc2)nn1	171553542	PHGADNRCFPOWTH-UHFFFAOYSA-N	301.350	1.880	50	20	DDGD	
CCCn1cc(NC(=O)C(=O)NNc2cccc(C#N)c2)cn1	119469796	SFTXMKROSOLZPZ-UHFFFAOYSA-N	312.333	1.247	50	20	DDGD	
Cc1ccc(NNC(=O)NC2CCN(CC3CC3)CC2)nn1	171554560	WFCRXBGSLOPUEC-UHFFFAOYSA-N	304.398	1.286	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccc3nccn3c2)cc1	171911363	JGMVHWTWRRTWLB-UHFFFAOYSA-N	324.340	1.483	50	20	DDGD	
CC(C)[C@@H](Cc1ccccc1)C(=O)NNC(=O)N1CCOCC1	172530097	AHOIPAPVYFMFCM-OAHLLOKOSA-N	319.405	1.574	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCCNC(=O)C(C)C	43312618	URUNHRNEFKUOEE-UHFFFAOYSA-N	321.381	1.103	50	20	DDGD	
C[C@@H]1CCCC[C@H]1CNC(=O)NNC(=O)Cc1ccncc1	176271083	YXXMAASYWAZBIQ-OCCSQVGLSA-N	304.394	1.781	50	20	DDGD	
Cc1cccc(CSCC(=O)NNC(=O)c2c[nH]nc2C)c1	110758417	CNZVSVUMYDJAOG-UHFFFAOYSA-N	318.402	1.721	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2nccnc2Cl)c1	173614177	QHFYGJDKNAXJDX-UHFFFAOYSA-N	305.725	1.247	50	20	DDGD	
CCCc1ncc(C(=O)NNc2nc(C)cc(OC)n2)s1	174471253	JSKVSSRLKBMHPT-UHFFFAOYSA-N	307.379	1.960	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(C2CC2)nc2onc(C)c12	65190409	JCAABBSSXRIMCM-UHFFFAOYSA-N	303.322	1.373	50	20	DDGD	
Cc1onc(-c2ccc(F)cc2)c1C(=O)NNC(=O)NC1CC1	64900470	IMAHDVLYSXVSFH-UHFFFAOYSA-N	318.308	1.896	50	20	DDGD	
O=C1COc2cc(C(=O)NNc3ccc(F)cc3)ccc2N1	60664831	ZVXFJABQBHEBFU-UHFFFAOYSA-N	301.277	1.914	50	20	DDGD	
Cc1noc(C)c1COc1ccccc1C(=O)NN(C)C(N)=O	181073836	LGNUYVBBOHLJHX-UHFFFAOYSA-N	318.333	1.526	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1sccc1-c1ccccc1	75653341	WLZQYDHQARDYIA-UHFFFAOYSA-N	303.387	1.738	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2ccncc2)ccc1F	187036780	MAKFPLCXWKDDBM-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
CSCc1noc(CCC(=O)NNC(=O)c2ccccc2)n1	123862573	GRZCYJQSACCYSN-UHFFFAOYSA-N	320.374	1.326	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2nc3ccccc3s2)[nH]n1	182708909	VMJQCXIPJKZXBP-UHFFFAOYSA-N	316.346	1.794	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)CNc2ccccc2)cc1	73140270	SSDZENIVAFXHBC-UHFFFAOYSA-N	313.357	1.497	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)Nc1ccc(F)cc1	77516712	APLWMQIVDMRVSH-UHFFFAOYSA-N	310.329	1.283	50	20	DDGD	
O=C(NNc1ccncc1)C1=NN(Cc2ccccc2)C(=O)CC1	183021394	RWGHFRWKRBNVBE-UHFFFAOYSA-N	323.356	1.703	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cc(C(N)=O)ccc2C)o1	184652288	DUHBKRPWBWNHTK-UHFFFAOYSA-N	316.317	1.462	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)CCc1cccc2c1OCO2	184859627	VJMIXPFNIGJDGJ-UHFFFAOYSA-N	306.362	1.932	50	20	DDGD	
O=C(NNC(=O)C1CC=CC1)c1nn(-c2ccccc2)cc1O	77612521	ZDJPQMPJISKHJC-UHFFFAOYSA-N	312.329	1.305	50	20	DDGD	
O=C(COC[C@@H]1CCCO1)NNc1ccc(C(F)(F)F)cn1	132373556	TURIBCLPUGEBAF-JTQLQIEISA-N	319.283	1.739	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(N2CCOCC2)cc1C	44360277	ACKISDLBVBEKGW-UHFFFAOYSA-N	308.338	1.224	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Nc2ncc(C)s2)c1O	138432863	FGJFRZPUYMLQBT-UHFFFAOYSA-N	322.346	1.632	50	20	DDGD	
O=C(COc1ccccc1)NNc1nc2ccccc2c(=O)[nH]1	137211772	GHSOSPOZFGYVRV-UHFFFAOYSA-N	310.313	1.445	50	20	DDGD	
CNC(=O)NNC(=O)c1c(-c2ccccc2Cl)noc1C	97714296	CIIOXLCMEMVVGK-UHFFFAOYSA-N	308.725	1.877	50	20	DDGD	
O=C(N/N=C1/C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)[C@H]1CCS(=O)(=O)C1	239667969	BSKGHDZYPWSQMD-OFTGVCEQSA-N	310.419	1.349	50	20	DDGD	
Cn1ncc(C(=O)NCC(Cl)Cl)c1Br	294591345	HLAUFUBNQLFGEL-UHFFFAOYSA-N	300.971	1.716	50	20	DDGD	
O=C(/C=C\c1ccco1)NNC(=O)Cc1cn2ccccc2n1	255398489	XXWDQUVZDHYJIN-SREVYHEPSA-N	310.313	1.331	50	20	DDGD	
Cc1ccc(C)n1-c1c(C(=O)NNC(=O)C2CCC2)cnn1C	264810886	VNYYDXCROJJOPE-UHFFFAOYSA-N	315.377	1.389	50	20	DDGD	
CC[C@@H](C)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1	263882850	CKLNLRZKGZJWNU-SNVBAGLBSA-N	311.407	1.617	50	20	DDGD	
CNC(=O)NNC(=O)CS[C@H](C)c1nc2ccccc2[nH]1	266938050	PDNSXOOAUKZUOI-MRVPVSSYSA-N	307.379	1.317	50	20	DDGD	
C[C@H](NC(=O)C1CCCC1)C(=O)NNc1ccc(C#N)cc1	269577950	HCQBKFLXYXHMFZ-NSHDSACASA-N	300.362	1.696	50	20	DDGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCCS(=O)(=O)CC1	365878226	BPSNAFKMKHPPHQ-NSIKDUERSA-N	321.358	1.580	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCc1nccn1C)c1ccccc1	264700858	AKTAZYNBHXFHRW-ZDUSSCGKSA-N	315.377	1.444	50	20	DDGD	
Cc1c(Cl)cccc1NC(=O)C(=O)NNC(=O)C1CCC1	274014506	ANPZUYDJYFWLCF-UHFFFAOYSA-N	309.753	1.534	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cccc2ccsc12	274256323	JGMQJEJFDSVHBL-UHFFFAOYSA-N	307.375	1.882	50	20	DDGD	
O=S(=O)(CBr)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21	272774573	GCSGUFQHDLGBQC-SDDRHHMPSA-N	316.220	1.987	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](C)c1cccs1	278737037	VQDVZIQOVQMKGV-JTQLQIEISA-N	314.407	1.788	50	20	DDGD	
O=C(CCn1cc(Cl)cn1)NNc1nnc(C2CC2)s1	273642376	VBDIRZXJZKRSJG-UHFFFAOYSA-N	312.786	1.799	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)[C@H]1CCCOC1	270741456	XRJIBVITTPDOGQ-JTQLQIEISA-N	310.375	1.058	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccccc1O[C@@H](C)C#N	276102018	YEOLGYGOJUEIKU-JTQLQIEISA-N	305.338	1.675	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2COc3ccc(F)cc3C2)ncn1	372369779	OIWZCVFRBOAZEZ-LLVKDONJSA-N	302.309	1.619	50	20	DDGD	
CSCc1ccccc1NC(=O)C(=O)NNC(=O)CC(C)C	274191798	QFYMEUMKYNZSAZ-UHFFFAOYSA-N	323.418	1.682	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cnn(-c2ccccc2F)c1	373873242	VIDRZLMNFYKHMZ-UHFFFAOYSA-N	320.328	1.709	50	20	DDGD	
COCCOc1cncc(C(=O)NNc2cc(C)nc(C)n2)c1	282575954	WRYKQYSPBXILRM-UHFFFAOYSA-N	317.349	1.271	50	20	DDGD	
Cc1oc(C(C)C)nc1C(=O)NNC(=O)Cc1ccncc1	286213800	RZQWLFDVXUBZII-UHFFFAOYSA-N	302.334	1.505	50	20	DDGD	
COC(=O)[C@H]1CC[C@H](C(=O)NNC(=O)Nc2ccccc2)CC1	283781006	REFWDKJEGOBANY-HAQNSBGRSA-N	319.361	1.819	50	20	DDGD	
CCc1csc(CC(=O)NNc2nc(C)cc(OC)n2)n1	283273753	RVHHSXYDHOHKOX-UHFFFAOYSA-N	307.379	1.498	50	20	DDGD	
CC(C)(C)[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccnc(C#N)c1	281901668	PYHMGVIGXSWSPV-STQMWFEESA-N	316.361	1.165	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)c3ccccc32)[nH]n1	285688283	QLGHYIJHCYWPCM-GFCCVEGCSA-N	312.329	1.239	50	20	DDGD	
COCCN(C)NC(=O)[C@@H](c1ccccc1)N1CCSCC1	288330439	DZEXIJQMDADIKU-OAHLLOKOSA-N	323.462	1.386	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2cccc(N(C)C)c2)ccn1C	289543240	CSYRJWBTDRJBLV-UHFFFAOYSA-N	314.389	1.728	50	20	DDGD	
CC[C@@H](C)[C@H](CNC(=O)NNC(=O)c1ccccc1O)OC	297617630	APLCFOQBNHCRCM-MFKMUULPSA-N	309.366	1.397	50	20	DDGD	
CS(=O)(=O)c1ccccc1NC(=O)NNc1cccc(F)n1	806179651	GANXVNSDOROMQP-UHFFFAOYSA-N	324.337	1.773	50	20	DDGD	
COCCN(C)NC(=O)c1cc(F)c(F)cc1Br	297039894	JKOLJOPDBDKQSD-UHFFFAOYSA-N	323.137	1.950	50	20	DDGD	
C=CCNc1ncc(C(=O)NNC(=O)[C@H]2CCCCO2)s1	295653748	VHBFTZJHAAFVFZ-SECBINFHSA-N	310.379	1.071	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@H]1CCCCO1)c1cccc(F)c1	295569428	NMGWHYKJNJZSTE-ZDUSSCGKSA-N	308.353	1.820	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)CSC(F)F)cc1	294925375	BRTQDNHNHQSCCO-UHFFFAOYSA-N	319.333	1.210	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1occ2c1CCC2	803204725	PEKMVNHIKOLFIL-UHFFFAOYSA-N	302.359	1.795	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(OC)c(OC(F)F)c1	808074861	LWJIAXLZSYKWNQ-UHFFFAOYSA-N	304.293	1.520	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1ccoc1Cl	804955603	RWZZHWFMFYYDDW-UHFFFAOYSA-N	304.697	1.666	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)CCc1ccccc1)C(F)(F)F	808333498	NIRQTLPPWZBPPS-VIFPVBQESA-N	303.284	1.900	50	20	DDGD	
C[C@H]1CSC[C@@H]1NC(=O)NNC(=O)Cc1ccc(F)cc1	805791322	JAUNRKHQOWLROY-CABZTGNLSA-N	311.382	1.450	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C(C)(C)C)c(C)o1	292987055	JSFNXOAERIMIKP-JQWIXIFHSA-N	309.366	1.504	50	20	DDGD	
Cc1cc(C)cc([C@@H](O)CNC(=O)NNC(=O)C2CCCC2)c1	801055415	MBNYGONFHGBLGG-HNNXBMFYSA-N	319.405	1.857	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CN(C)C)c2ccccc2c1	297471970	RYHLUQHOMZFERE-UHFFFAOYSA-N	300.362	1.863	50	20	DDGD	
CNC(=O)NCCC(=O)NNc1ccc(Cl)cc1Cl	293241143	CWBRIGORAKVIRO-UHFFFAOYSA-N	305.165	1.756	50	20	DDGD	
CC[C@](O)(C(=O)NNc1cnccn1)c1cccc(Cl)c1	800539662	JESGYKSZIBCTDW-CQSZACIVSA-N	306.753	1.871	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN(C)[C@H](C)C1(C)CC1	298611599	MHAVWNLHVBNZGP-CQSZACIVSA-N	317.433	1.805	50	20	DDGD	
Cn1nnc2c(C(=O)NNc3cccc4c3CCCC4)ccnc21	801175581	BGYRDWSAVVBRDU-UHFFFAOYSA-N	322.372	1.999	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)N=c1cc[nH]cc1)c1ccccc1	802025878	IHUNCIVHJUPKAD-MRXNPFEDSA-N	314.345	1.218	50	20	DDGD	
CCCOc1ccc(CNC(=O)NNc2ccncn2)cn1	296600683	JVAADDXNQWFJSF-UHFFFAOYSA-N	302.338	1.487	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@H]2CCCC[C@H]2C)c1O	819845297	FWZOWPPORZUUSA-MNOVXSKESA-N	306.362	1.988	50	20	DDGD	
COCC(=O)NNC(=O)Nc1nc2c(s1)CCCC2(C)C	810313690	INDPXBMDQNCSPR-UHFFFAOYSA-N	312.395	1.556	50	20	DDGD	
CO[C@](C)(C(=O)NNc1ccccc1S(C)(=O)=O)C1CC1	812507053	JFZUADPCQNXCGJ-AWEZNQCLSA-N	312.391	1.348	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCCOC2)c1	819036772	HBAGTYJCEPHIQF-GFCCVEGCSA-N	303.387	1.412	50	20	DDGD	
CCc1nnsc1C(=O)NNc1ccc(C)c(C(=O)OC)c1	816689580	OYEJOZZOGUFZLW-UHFFFAOYSA-N	320.374	1.952	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)CSc1ccccc1O)C1CCC1	813502172	NBRRPLGEPLZOJY-HNNXBMFYSA-N	324.402	1.183	50	20	DDGD	
C[C@@](C#N)(CC(=O)O)C(=O)NNc1ccc(F)c(F)c1F	819846334	AMSUFIGSVMROHF-LBPRGKRZSA-N	301.224	1.552	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H]2CNOC2)c1C	819748880	KOLJOBGBMVTWAP-GSHXUFRSSA-N	319.361	1.105	50	20	DDGD	
CC1(C)CCC[C@@]1(O)CNS(=O)(=O)CBr	815063319	ZMVGMUPUSNOUIF-SECBINFHSA-N	300.218	1.199	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)Cc1cccnc1	728850848	DDGSKTIUOORPSD-LLVKDONJSA-N	317.320	1.378	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2nc(-c3ccccc3)no2)n1	815547613	WSMHFMDWWSRIJL-UHFFFAOYSA-N	313.321	1.413	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCCCN(C)C)cc1	729509841	IWJCKDQUYPXLDH-UHFFFAOYSA-N	307.394	1.253	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H]2CCCCN(C)C2=O)cc1	823169286	PAEKVFUZLFWOTF-CQSZACIVSA-N	305.378	1.787	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNC(=O)C[C@@H]1CC[C@@H]2C[C@H]12	822969975	GQKIAIJJXYOMJX-VWYCJHECSA-N	321.402	1.062	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)C2CCOCC2)c(C)c1	829557545	LHRVPEAORSRUJF-UHFFFAOYSA-N	306.362	1.120	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@H]2CCCN2C(C)C)cc1	823892511	RVZPDXCKVZKGAH-OAHLLOKOSA-N	319.405	1.718	50	20	DDGD	
CCCNC(=O)NN=C(C)c1ccc(-c2nn[nH]n2)c(F)c1	825332790	MGTBGZJINSFVOO-UHFFFAOYSA-N	305.317	1.439	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCCSC(F)(F)F)cn1	491173709	FAZYRHQYTWNUEW-RUDMXATFSA-N	304.297	1.696	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1cc(C)c(C)c2ncccc12	495406694	FLSXXEZSQBKJHD-UHFFFAOYSA-N	316.317	1.177	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNCC(F)(F)C(F)(F)F)C(C)C	825010433	VUDBFLVCKYFVKG-SSDOTTSWSA-N	320.258	1.640	50	20	DDGD	
CC(=NNC(=O)CCNC(=O)OC(C)(C)C)c1cncs1	494956358	SVCIVLSEAOZTFU-UHFFFAOYSA-N	312.395	1.898	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC(CC(F)(F)F)CC1	829542749	WGHIILULILIVMT-UHFFFAOYSA-N	309.332	1.454	50	20	DDGD	
CCN(CC)CCOc1ccc(C(=O)NN(C)C(=O)OC)cc1	495693687	RJEVLKZKFSZBHG-UHFFFAOYSA-N	323.393	1.750	50	20	DDGD	
CNC(=O)Nc1ccc(C(=O)NN[C@@H](C)C(F)(F)F)cc1	826943066	UQFLHBOROZJVQS-ZETCQYMHSA-N	304.272	1.623	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc2c(=O)[nH]ccc2c1	824692979	BWDVKFCWVAFJIO-VIFPVBQESA-N	302.334	1.727	50	20	DDGD	
CCN1CCC(CNC(=O)NNC(=O)c2ccccc2)CC1	726280644	XPSWCEZYZZIIEA-UHFFFAOYSA-N	304.394	1.363	50	20	DDGD	
CCCCC[C@@H](O)C(=O)NNC(=O)COc1cc(C)cc(C)c1	822194828	VSIITCFVVWXGGH-OAHLLOKOSA-N	322.405	1.771	50	20	DDGD	
O=C(NN=Cc1cccc(O)c1O)c1cc(Br)c[nH]1	725838247	HGXLPYJFBKBJOT-UHFFFAOYSA-N	324.134	1.952	50	20	DDGD	
C=Cc1ccc(S(=O)(=O)NNC(=O)c2cccn2C)cc1	821135139	LVVJAYLIYLQGRC-UHFFFAOYSA-N	305.359	1.291	50	20	DDGD	
CC(C)(C)OC(=O)NC1CC(=NNC(=O)N=c2cc[nH]cc2)C1	495794370	MFFRUONCSQQXIZ-UHFFFAOYSA-N	319.365	1.668	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1ccc(C(=O)OC)n1C	821027983	OAAJPNAJNKUABI-BENRWUELSA-N	319.361	1.261	50	20	DDGD	
O=C(/C=C\c1ccc[nH]1)NNC(=O)Cc1c[nH]c2ccccc12	491950643	CLAZICVGIUSKJL-FPLPWBNLSA-N	308.341	1.899	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@@H]1COCc2ccccc21	496536753	BTEGEFPPWCDBIX-GFCCVEGCSA-N	307.350	1.997	50	20	DDGD	
C#CCCCC(=O)NN=C(C)c1ccc(S(C)(=O)=O)cc1	901321840	ZSJWRNYCGQJFRW-UHFFFAOYSA-N	306.387	1.734	50	20	DDGD	
CCN(CC)C(=O)c1ccc(NCc2ccc(B(O)O)o2)cc1	585038526	HKBQNUJKAISTDB-UHFFFAOYSA-N	316.166	1.054	50	20	DDGD	
C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NN(C)C(=O)OC	496168773	MMEOIXSOYDUQNO-SNVBAGLBSA-N	303.318	1.231	50	20	DDGD	
OB(O)c1ccc(CNc2cccc(OC3CCCC3)c2)o1	585013617	YLIBBSCQIQXQIF-UHFFFAOYSA-N	301.151	1.893	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1	492970379	YETMZLCJGRFBAA-UHFFFAOYSA-N	315.333	1.740	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCc1cn(C(C)C)nn1	820208790	JQAOVUXIILWXII-UHFFFAOYSA-N	324.816	1.841	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@H]2CCCCN2C)cc1	732275983	MOFUZIVBVRSULI-OAHLLOKOSA-N	319.405	1.260	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=O)CCOc2ccccc2)CC1	822873293	PDAQCSOPYYEFGL-UHFFFAOYSA-N	304.346	1.362	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)C(C)(C)c1ccc(F)cc1F	907624717	CYDLODIFPRWJCP-UHFFFAOYSA-N	300.305	1.161	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C)[C@H]1CC[C@@H](C(F)(F)F)CC1	829935491	FDIADLNFVACCSV-PHIMTYICSA-N	323.359	1.843	50	20	DDGD	
CN(C)CCN(C(=O)/C(C#N)=C/c1cnn(C)c1)c1ccccc1	491163792	YFGXGUYCQSTOSZ-LFIBNONCSA-N	323.400	1.922	50	20	DDGD	
COc1ccnc(C(=O)NNC(=O)COCc2ccccc2)c1	737636957	ICTXQRMOIOYDTB-UHFFFAOYSA-N	315.329	1.068	50	20	DDGD	
CSSCCNC(=O)N1CC[C@@H](OC(=O)N(C)C)C1	496695729	DTDMEYPJCZNMAM-SECBINFHSA-N	307.441	1.480	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@H]2CSc3ccccc32)cn1	735586705	OCIYPXOMSMLKJB-NSHDSACASA-N	317.374	1.211	50	20	DDGD	
COc1ccc(OC)c(C(C)=NNC(=O)c2cnn(C)c2)c1	735411047	IQGKUZYWFZSQJA-UHFFFAOYSA-N	302.334	1.591	50	20	DDGD	
CC(C)c1nc(CC(=O)Nc2cccc(B(O)O)c2)cs1	584910924	SJKYKDPACCHJEL-UHFFFAOYSA-N	304.180	1.128	50	20	DDGD	
CCCC[C@H](CC)CNC(=S)NNC(=O)CCN(C)C	730592819	FHLLJOGCPUUGPE-LBPRGKRZSA-N	302.488	1.650	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc2ccccc2c1O	833262596	WITPFQXSLIJRBW-CQSZACIVSA-N	314.341	1.876	50	20	DDGD	
COc1ccc(NNC(=O)[C@@]2(C)C[C@H]2Br)nc1	907590783	QCBRSOYLFXXRRU-KCJUWKMLSA-N	300.156	1.707	50	20	DDGD	
C=C(C)C(C)(C)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	496488762	CZTHVWZHNFBCDL-UHFFFAOYSA-N	313.398	1.651	50	20	DDGD	
CN(CCCNC(=O)NNC(=O)C1CCC1)CC(F)(F)F	732241926	SLYXVOZFGSMFKN-UHFFFAOYSA-N	310.320	1.001	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)cc1C	901257857	DFKDCRNYMKTJFG-BXUZGUMPSA-N	304.346	1.657	50	20	DDGD	
CC[C@@H](C)Oc1cc(C(=O)Nc2cccc(B(O)O)c2)ccn1	584914149	QMYUSWZGRKZCQV-LLVKDONJSA-N	314.150	1.191	50	20	DDGD	
C[C@H](N)C[C@@H](C)NC(=O)NNC(=O)c1cccc2ccccc12	831211557	HCQMXEQRXMTCPX-NWDGAFQWSA-N	314.389	1.910	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cccc(CC)n1	830190174	IVGMQVYVBVBMAR-UHFFFAOYSA-N	309.366	1.194	50	20	DDGD	
O=C(NN=CC1CCN(Cc2ccccc2)CC1)c1ncon1	901287725	YSFPWUJOZGWLAB-UHFFFAOYSA-N	313.361	1.697	50	20	DDGD	
CN1C[C@H](N(C)C(=O)[C@@]2(C)C[C@H]2Br)CCC1=O	908369794	FVZYUSRGXYSZRN-LNLATYFQSA-N	303.200	1.239	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@H]2COc3ccccc3O2)c2nccn21	834917883	LTCWMWMYEBXNOM-QMTHXVAHSA-N	312.329	1.508	50	20	DDGD	
N#C/C(=C/c1ccc(N2CCC(O)CC2)cc1)C(=O)NC1CC1	905069985	SUWLINQHLHWAOK-KAMYIIQDSA-N	311.385	1.833	50	20	DDGD	
CC(C)[C@@H](c1cccnc1)N(C)C(=O)c1cccc(B(O)O)c1	584944160	PJSJTAMLVFCATO-INIZCTEOSA-N	312.178	1.231	50	20	DDGD	
CCOC(=O)N1CCC[C@H]([C@@H](C)NS(=O)(=O)CCl)C1	831154217	XYCKHFJZWYBWJU-ZJUUUORDSA-N	312.819	1.359	50	20	DDGD	
Cc1noc(NC(=O)NNC(=O)C(C)(C)c2ccccc2)n1	836492699	FKKWIWQTGUVAII-UHFFFAOYSA-N	303.322	1.509	50	20	DDGD	
CCOCC(=O)NN=Cc1cc(OC)c(OC(C)=O)c(OC)c1	731152440	HJOZGCWKINSAJO-UHFFFAOYSA-N	324.333	1.116	50	20	DDGD	
CCC(=O)C1(C(=O)NNc2ccc(F)c(C(=O)OC)c2)CC1	837037319	ICWCDAFZHIJFNP-UHFFFAOYSA-N	308.309	1.815	50	20	DDGD	
CNC(=O)NNC(=O)CCC(C)(C)NC(=O)OC(C)(C)C	737806146	IRLCRFGZAUVJPY-UHFFFAOYSA-N	302.375	1.030	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNc1ccc(C(=O)O)cn1	833603494	OHCCGLGYQIUJEZ-GMTAPVOTSA-N	306.366	1.484	50	20	DDGD	
Cn1c(=NNC(=O)NCc2cocn2)sc2ccccc21	730830214	NGVGUKSOLILNBJ-UHFFFAOYSA-N	303.347	1.543	50	20	DDGD	
Cc1noc(-c2ccc(NC(=O)NNC(=O)C(C)C)cn2)n1	836736020	ROGTZJQBUVMETL-UHFFFAOYSA-N	304.310	1.249	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@H](O)c1cccnc1)c1ccccc1	732291219	CDKVSRLEMRFDHY-HUUCEWRRSA-N	313.357	1.456	50	20	DDGD	
Cc1cc(N2CC[C@@H](B(O)O)C2)c2cc([N+](=O)[O-])ccc2n1	585079109	RZKQOMRLJDGEIN-SNVBAGLBSA-N	301.111	1.505	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)C(=O)NNC(=O)c1ccc(Cl)nc1	837349710	KWLBZZUNRMHVFS-SECBINFHSA-N	321.768	1.108	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=Cc1ccc(CO)o1	739400689	QPMHCQKUEFTDQF-UHFFFAOYSA-N	302.330	1.863	50	20	DDGD	
CC[C@@](C)(CNC(=O)NNC(=O)COCc1ccccc1)OC	836318961	XVLMEUKQRWSKFI-INIZCTEOSA-N	323.393	1.349	50	20	DDGD	
C[C@@]1(C(=O)NCc2nc(C(N)=O)cs2)C[C@H]1Br	912513898	KZUFUQYLCWRUJC-LHLIQPBNSA-N	318.196	1.032	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1ccc(OC)cc1C	910002659	ZNOZCFOVHZDRAS-LLVKDONJSA-N	322.361	1.035	50	20	DDGD	
CCSc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cn1	843644798	DWSWNMDUJZANIB-KOLCDFICSA-N	309.391	1.380	50	20	DDGD	
CO[C@H](C=NNC(=O)c1cncc(NC(C)=O)c1)CC(C)C	841632408	KDNCHRJUPLQOEM-AWEZNQCLSA-N	306.366	1.817	50	20	DDGD	
Cc1ccc2cccc(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)c2n1	843651794	OXDCRIZFKCAFJH-AAEUAGOBSA-N	313.357	1.729	50	20	DDGD	
CCOC(=O)CCN(C(C)C)S(=O)(=O)CCCCCl	848508326	LHEDOACZMJLYKA-UHFFFAOYSA-N	313.847	1.999	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccn(C2CCCC2)n1	843655795	WLPXYHCUWQUVNE-CMPLNLGQSA-N	306.366	1.184	50	20	DDGD	
COCC[C@H](C)CNC(=O)NNc1cccc(C(=O)OC)c1	840397756	ZUZKTPVMRYMPRZ-NSHDSACASA-N	309.366	1.772	50	20	DDGD	
Cc1nc(C=NNC(=O)c2nnc(O)c3ccccc23)cs1	916317903	IGEAWEMNUNKXEX-UHFFFAOYSA-N	313.342	1.864	50	20	DDGD	
CCOCCCNC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	743517316	DEIQGQKEZRRZMR-UHFFFAOYSA-N	323.397	1.515	50	20	DDGD	
COc1ncccc1C(=O)NNC(=O)c1cc(Cl)ccc1O	910493886	NWWPRBFSXYKNMT-UHFFFAOYSA-N	321.720	1.524	50	20	DDGD	
CCOC(=O)c1cc(/C=C(/C#N)C(=O)[C@H]2CCCOC2)[nH]n1	843269162	PVSGFNFKXWHAJV-OYUORYAFSA-N	303.318	1.489	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc(/C=C\C(=O)OC)o1	848403242	QYBOKDHAXPQDAK-AIKSHDBNSA-N	321.377	1.648	50	20	DDGD	
C[C@H](CBr)CN1CCC(CO)(NCC2CC2)CC1	844337840	IHJIHNUKJPJRSD-GFCCVEGCSA-N	319.287	1.844	50	20	DDGD	
C[C@H](C(=O)NNC(=O)COc1ccc(F)cc1)C(F)(F)F	742478072	MSKKMQVPHQLVIZ-SSDOTTSWSA-N	308.231	1.550	50	20	DDGD	
C[C@H](COCC1CC1)NC(=O)NNC(=O)c1cccc(C#N)c1	845579981	DOCTWORIVKKZJB-LLVKDONJSA-N	316.361	1.317	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(-n2ccnc2)nn1	748561323	GSACMYHSGBBCCL-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
COc1ccccc1[C@H](N)C(=O)NNc1nc(C)cc(C)n1	843356927	IZFUTCMRIPSBTD-ZDUSSCGKSA-N	301.350	1.245	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C	910161146	UEGVAZGFDYPRHJ-GHMZBOCLSA-N	317.430	1.270	50	20	DDGD	
CC[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1c[nH]nc1C	748309609	ORULOJQMVQQQNK-LBPRGKRZSA-N	320.324	1.476	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc(C(F)(F)F)n1	843663017	VXROQCOICJWYKW-HTQZYQBOSA-N	317.267	1.286	50	20	DDGD	
O=C(CCN1CCCC1=O)NNC(=O)c1cc2ccccc2o1	749472554	PDQTVZFTRCAETI-UHFFFAOYSA-N	315.329	1.206	50	20	DDGD	
CC(=NNC(=O)Cc1nc2ccccc2n1C)c1ccn(C)n1	841610552	PCLHRUFZOTZOQP-UHFFFAOYSA-N	310.361	1.390	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)C[C@H]1C(=O)Nc2ccccc21	746347213	SIYOPUTXWOBGNA-CQSZACIVSA-N	323.352	1.882	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C\c1ccc(-n2cncn2)c(F)c1	844239586	LPJSREOGJOPUAM-JYOAFUTRSA-N	305.276	1.573	50	20	DDGD	
O=C1COc2ccc(C(=O)NNc3ccc(Cl)nc3)cc2N1	743818679	IMJINFWCFDOMMJ-UHFFFAOYSA-N	318.720	1.823	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCCOCC1CCOCC1	740915425	PSUGCTOVBJFPJA-UHFFFAOYSA-N	315.414	1.196	50	20	DDGD	
COC[C@@H](OC)C(=O)NNc1cc(F)ccc1Br	854940773	YZYUZLCEDZWOTH-SNVBAGLBSA-N	321.146	1.693	50	20	DDGD	
CO[C@@H]1CC(=NNC(=O)CCCNC(=O)C(C)(C)C)C12CCC2	853408313	QEJBTYIXSVKKIA-CYBMUJFWSA-N	323.437	1.990	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)c1cc2c(s1)CCC2	921167064	YELWPTQEWJSRSQ-SNVBAGLBSA-N	308.403	1.979	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@H]2C=NNC(=O)c2ccc[nH]2)cn1	853283653	YFJJALFHJYKZKN-SMDDNHRTSA-N	301.350	1.632	50	20	DDGD	
CC(CC(C)(C)C#N)=NNC(=O)CNC(=O)c1cccnc1	853318072	MAKQCAFDLOZFSV-UHFFFAOYSA-N	301.350	1.243	50	20	DDGD	
CCCNC(=O)NN=Cc1c(-n2ccnc2)nc2ccccn12	755673874	RKVRCFQRITZLFS-UHFFFAOYSA-N	311.349	1.563	50	20	DDGD	
C[C@@H](Oc1cccnc1)C(=O)NNC(=S)N[C@H](C)C1CC1	751618805	PXPXJTOLBXEZNL-NXEZZACHSA-N	308.407	1.143	50	20	DDGD	
COC(=O)CCCNC(=S)NC[C@]1(C)C[C@@H]1Br	857204186	LTIPMSNZKSFOJZ-KWQFWETISA-N	323.256	1.577	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@H](CO)C[C@@H]1CCCO1	923745822	QCNPFTICSDHRPP-UKVVFRCISA-N	318.348	1.779	50	20	DDGD	
CCCCN(C)S(=O)(=O)NC[C@]1(C)C[C@@H]1Br	856755152	ANSFWNSYPUZIJO-UWVGGRQHSA-N	313.261	1.726	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@H](O)C2CCC2)C[C@H]1Br	856961167	WOGIPFPHRJDXRE-HOSYDEDBSA-N	305.216	1.620	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1CC(C)(C)OC1(C)C	755886450	NIORBAGJLYIGAP-LBPRGKRZSA-N	311.426	1.404	50	20	DDGD	
O=C(NNC(=O)c1cccc(OC(F)F)c1)N[C@@H]1C=CCC1	852055557	ANZWSEJXHBHKGB-SNVBAGLBSA-N	311.288	1.951	50	20	DDGD	
Cc1ccc([C@H](C)NC(=O)NNC(=O)C(C)C)cc1[N+](=O)[O-]	752023372	ITOSLLCQFUCERP-JTQLQIEISA-N	308.338	1.951	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc(C)cs1	854285126	HNGPBWLKTIFWJC-UHFFFAOYSA-N	301.437	1.544	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)Cc2occc2C)c1	854191200	YKRQMSPJIRTURK-UHFFFAOYSA-N	316.357	1.974	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCC1CCN(CC2CC2)CC1	852085477	CWBYLEOQNPNIJL-UHFFFAOYSA-N	310.442	1.485	50	20	DDGD	
CCOC(=O)NC1CCC(=NNC(=O)c2ccccn2)CC1	853254975	OCGQHSAKZJZUFO-UHFFFAOYSA-N	304.350	1.856	50	20	DDGD	
CCn1nccc1CNC(=O)NNC(=O)c1cc(C)cs1	858626398	AWESRXDTXWPKHQ-UHFFFAOYSA-N	307.379	1.417	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2ncc(Cl)cn2)CCCC1	857730707	WAXIPNNLYDKXJJ-UHFFFAOYSA-N	312.757	1.697	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)NCC2(C)CC2)c1	753024851	ROJIBHAVBJGKHK-UHFFFAOYSA-N	305.378	1.813	50	20	DDGD	
CC1=NO[C@H](C(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)C1	854240574	MOJMRAAMECNQIK-KCJUWKMLSA-N	321.402	1.799	50	20	DDGD	
CCOCCNC(=S)NNC(=O)c1cc(Cl)ccc1O	750982115	VOGRONSFFIGSLB-UHFFFAOYSA-N	317.798	1.191	50	20	DDGD	
C[C@@H](C(=O)NNc1cnnn1C)c1cccc(Br)c1	857270614	IVHKFYJNNQEIRM-MRVPVSSYSA-N	324.182	1.824	50	20	DDGD	
O=C(NN=Cc1ccc(O)c(Cl)c1)C(=O)Nc1ccccn1	758390666	TUKANIFPXXWTAD-UHFFFAOYSA-N	318.720	1.529	50	20	DDGD	
Nc1ccc(C(=O)NNc2nc3ccccc3[nH]2)cc1[N+](=O)[O-]	768492879	WCTDQDSOHWNUAL-UHFFFAOYSA-N	312.289	1.810	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cn[nH]c1	862474244	HNGNPSPGXSLPRS-APPZFPTMSA-N	304.272	1.539	50	20	DDGD	
C[C@@H](C(=O)N(C)NC(=O)OCc1ccccc1)[C@@H]1CCC(=O)N1	862289252	MYQXZBRQMQTMKI-YPMHNXCESA-N	319.361	1.201	50	20	DDGD	
COc1ccc2c(c1)[C@@H](C(=O)NNC(=O)c1ccccn1)CC2	761385435	MYCXGCYONRVMKZ-ZDUSSCGKSA-N	311.341	1.581	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2ncnn2C)cc1	768829491	NNGAXICLJVMVFI-JYRVWZFOSA-N	312.329	1.864	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2cccnc2N)cc1	764665618	KKBRSEFTQXNNGC-UHFFFAOYSA-N	300.318	1.202	50	20	DDGD	
C[C@]1(CNC(=O)c2cnc3nccn3c2)C[C@@H]1Br	869357267	PSUQFEFDCZITDN-JOYOIKCWSA-N	309.167	1.633	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C(CC(F)(F)F)c2ccccc2)N1	863145629	PFSHQBVNPGGLCV-SNVBAGLBSA-N	313.279	1.738	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])[C@@]1(O)CCSC1	765643175	PLXZYYCIWJUKLF-LLVKDONJSA-N	317.754	1.559	50	20	DDGD	
CC(C)(C)CC(=NNC(=O)CS(C)(=O)=O)c1ccccc1	863188633	ZGXZWWMSMYLWEZ-UHFFFAOYSA-N	310.419	1.988	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccc(C2CCC2)cc1	869906717	QHBLWASOJYZZTA-UHFFFAOYSA-N	306.362	1.378	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C	860128622	POEHBMKDOYHVLE-ZWUHOBOKSA-N	304.390	1.744	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@]12CCOC2)c1cc2c(s1)CCC2	763723975	UQPPSOQHUXXNJF-BMIGLBTASA-N	306.387	1.424	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cc(-c2ccccc2O)[nH]n1	863920770	WVOUNXHPAKVFIX-UHFFFAOYSA-N	300.318	1.343	50	20	DDGD	
Cc1ccccc1NNC(=O)CN1C(=O)COc2ccccc21	865511714	DTXRVXBZKZKKBF-UHFFFAOYSA-N	311.341	1.864	50	20	DDGD	
COC[C@](C)(O)C(=O)NNc1nc2ccccc2[nH]c1=S	862293763	PECHCUJZJLRBDS-ZDUSSCGKSA-N	308.363	1.133	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1	765914257	BFESJQNEFWQSEO-KBPBESRZSA-N	321.377	1.274	50	20	DDGD	
O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NNc1ncc(F)cn1	762088608	TYNVVEQUVBSLRH-UTCJRWHESA-N	303.253	1.680	50	20	DDGD	
O=C(CCc1nnc(C2CCCC2)o1)NNC(=O)C1CCCC1	760357592	WOPVRDOIVBHXAF-UHFFFAOYSA-N	320.393	1.997	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C[C@@H]2C=CCC2)cn1	874956926	UFGXGKPPAOSSLZ-SNVBAGLBSA-N	306.391	1.764	50	20	DDGD	
COCCOc1ccc(F)cc1NC(=O)NN(C)C(=O)OC	878569319	ULSVKOHTFVQNEN-UHFFFAOYSA-N	315.301	1.586	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1C	772049021	QPBPMZSRFPJBLV-VIFPVBQESA-N	323.305	1.006	50	20	DDGD	
CN(C)C(=O)COc1ccccc1C(=O)NNc1ccccn1	777469401	MRZBRANSINHJJQ-UHFFFAOYSA-N	314.345	1.306	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N(C)CC2CCOCC2)c1	1118864445	PNYBDKFXNSSKIX-UHFFFAOYSA-N	311.407	1.769	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(Cl)ccc1C	772216183	MWXZUIBERALHGU-VIFPVBQESA-N	312.753	1.751	50	20	DDGD	
Cc1cnccc1C(=O)NNC(=O)NCCc1cccs1	771274098	SRELGKFBESUWOP-UHFFFAOYSA-N	304.375	1.638	50	20	DDGD	
C[C@H](CBr)COC(=O)[C@@H](C)N1CCSCC1	770397206	AIRZDPRFKRAUIJ-NXEZZACHSA-N	310.257	1.998	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)COC2(C)CCC2)c1	773250669	HJQOXVKAEQNOKK-UHFFFAOYSA-N	320.389	1.789	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1ccc2c(c1)OCCCO2	779823228	ORHMRNXOHGXKSK-UHFFFAOYSA-N	321.333	1.044	50	20	DDGD	
C[C@@H](CBr)CN(C)CC(=O)NCc1ccco1	770646863	UHLJCAKWLWECMG-JTQLQIEISA-N	303.200	1.859	50	20	DDGD	
CCSc1ccccc1C(=O)O[C@H](C)C(=O)NNC(=O)CC	771971134	WETHLIFCHWCNNU-SNVBAGLBSA-N	324.402	1.901	50	20	DDGD	
CSc1cccc(F)c1C(=O)NNC(=O)C1CCOCC1	883069754	URDRSSMXIJYLNM-UHFFFAOYSA-N	312.366	1.735	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc(O[C@H](C)CC)n1	880898619	FBBBVRSOJAYROT-SNVBAGLBSA-N	309.370	1.957	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@@H]2CCC(=O)[C@@H]2C)cc1O	882049512	BAYYASFRXUHIAI-MNOVXSKESA-N	304.346	1.467	50	20	DDGD	
COCC1(C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)CC1	778531518	HGLSKBVTFCUUQK-ZDUSSCGKSA-N	320.389	1.645	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C(=O)Nc1ccc(Cl)cn1	773664878	UNBFKJHPTYLMGS-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)OCCC2OCCO2)cc(C#N)n1C	781154970	HPDOQUKBAFEXFB-NTUHNPAUSA-N	315.329	1.418	50	20	DDGD	
CCCN1CC[C@H](CNC(=O)NNc2ncncc2Cl)C1	781000012	IPKQYIVXSCKUFG-SNVBAGLBSA-N	312.805	1.488	50	20	DDGD	
CC(=NNC(=O)C(F)F)c1ccc(S(C)(=O)=O)c(F)c1	782235901	MCVDBVOKXVFQFL-UHFFFAOYSA-N	308.281	1.335	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NC[C@H]1CCCCS1	784290002	KLQYDCMQPYILJC-GFCCVEGCSA-N	308.407	1.240	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCCCS2)cc1	783030687	NWTGXKIEBRHYFF-CYBMUJFWSA-N	319.386	1.370	50	20	DDGD	
Cc1nccc(C(=O)NNC(=O)NCc2ccc(Cl)cc2)n1	787432714	VIQCNOIPDUIEJE-UHFFFAOYSA-N	319.752	1.583	50	20	DDGD	
O=C1COc2ccc(C=NNC(=O)NC3CCCCC3)cc2N1	788699314	BNSGIPZGSMIJOD-UHFFFAOYSA-N	316.361	1.983	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@H]2CO[C@@H](C)C2)cc1OC	784147308	ZNEQPDIXXASCAO-CMPLNLGQSA-N	322.361	1.280	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cc2ccn(C(C)C)n2)c1	780800785	FAOBAYVXQLJAEV-UHFFFAOYSA-N	316.361	1.936	50	20	DDGD	
CN(NC(=O)C[C@@H]1NC(=O)c2ccccc21)C(=O)OC(C)(C)C	897965660	HOBROZMIHQXOQM-LBPRGKRZSA-N	319.361	1.759	50	20	DDGD	
Cc1nn(C)c(NC(=O)C(=O)NNc2ccc(F)cc2F)c1C	783340549	STFOTMLPFCCEBO-UHFFFAOYSA-N	323.303	1.397	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C[C@@H]1NC(=O)c2ccccc21	895510994	XGLBTHUTJPJQKU-NSHDSACASA-N	305.334	1.417	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)[C@@H](C)C2(C)C)n[nH]1	780976239	MWKQPDFVRAZUMW-ZJUUUORDSA-N	306.366	1.121	50	20	DDGD	
COc1ccc([C@H](NC(C)C)C(=O)NNc2cnccn2)cc1	896381124	PLUPXRMPGXUEQE-HNNXBMFYSA-N	315.377	1.668	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1	790510270	ZMFVPSYJFAHERW-UHFFFAOYSA-N	324.337	1.656	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2ncccc2[N+](=O)[O-])n2cccc21	790882168	LRTNNVJZDHAHPJ-NSHDSACASA-N	315.289	1.452	50	20	DDGD	
O=C(NN=C1CCC(C(F)F)CC1)C(=O)Nc1ccccn1	799484177	XBYUGZAJADGLKP-UHFFFAOYSA-N	310.304	1.948	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCCC(C)(C)N)c1ccccc1	892857960	CHZCHZQUOXWFLY-CYBMUJFWSA-N	306.410	1.638	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)c1cnn(-c2ccccc2)c1)C1CC1	791591057	VTMCCTDLLOEYQC-CQSZACIVSA-N	314.345	1.058	50	20	DDGD	
CC(C)(C)n1ncnc1CNC(=O)NNC(=O)C1CCCC1	799981955	OUDCHKNPTMEOHS-UHFFFAOYSA-N	308.386	1.054	50	20	DDGD	
CSSCCNC(=O)N[C@@H](C)CCS(C)(=O)=O	790779177	PMOMKBLVWGTDOM-QMMMGPOBSA-N	300.471	1.120	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2n[nH]cc2C)c(C)c1	799832524	DLWPLLKZVGPVAL-UHFFFAOYSA-N	301.350	1.208	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNC(=O)c1cc(Br)c[nH]1	794620349	HTNDTFASYCCUMP-NSHDSACASA-N	313.155	1.478	50	20	DDGD	
COc1ccc(O)c(C(=O)NNC(=O)c2cccc(C)n2)c1	794080016	GOBVRXDDECLLIQ-UHFFFAOYSA-N	301.302	1.179	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)COc1ccc(C)c(C)c1	792797893	QGWZSBYKLFWCDC-MEDUHNTESA-N	322.405	1.891	50	20	DDGD	
COC(=O)C(=O)NN=C1CCCOc2c(Cl)cc(C)cc21	1319232204	AKUVGAUJSHJXIR-UHFFFAOYSA-N	310.737	1.814	50	20	DDGD	
Cc1ccc([C@H]2COCCN2S(=O)(=O)CBr)o1	272840042	SPSAJIXKLYWVFD-SECBINFHSA-N	324.196	1.644	50	20	DDGD	
CC(=NNC(=O)c1n[nH]c2c1CCCC2)c1cn(C)nc1C	1323440655	DBZWOIMVESEABJ-UHFFFAOYSA-N	300.366	1.484	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2CCOC(C)(C)C2)cc1	1320414031	XPTJHZAVNXBNMZ-LBPRGKRZSA-N	321.377	1.597	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cn(C)nc2C(F)F)cc1	1322982617	GJGIQJPGEBVLHP-UHFFFAOYSA-N	324.287	1.441	50	20	DDGD	
CCOc1nc(C(=O)NNc2ccc(C(C)(C)C)nn2)co1	1320716782	CTEYQZGQVVNEPE-UHFFFAOYSA-N	305.338	1.918	50	20	DDGD	
CC1=C2C(=C(NNC(=O)C[n+]3ccccc3)C[C@H]2C)C(=O)C=C1	1321467610	QSKBTIMBSJAQOV-CYBMUJFWSA-O	310.377	1.344	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@@H]2CCO[C@@H](C)C2)cc1	1320536620	WWSPFVXLLZIPHZ-NWDGAFQWSA-N	321.377	1.454	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)N[C@H]1C=CCCC1	1322643593	RSDNWIKLOBCQJE-NSHDSACASA-N	309.391	1.825	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC2CCC1CC2)c1n[nH]c2c1CCCC2	1324883060	DUXBKTDJGHIWCS-XIVSLSHWSA-N	316.405	1.876	50	20	DDGD	
Cn1cc(C(N)=O)c(NC(=O)[C@H](Br)C(C)(C)C)n1	1320568009	CFKCQWRXYYGOEU-ZETCQYMHSA-N	317.187	1.267	50	20	DDGD	
N#CCC1(O)CN(S(=O)(=O)c2ccc(CCCl)cc2)C1	1322470436	FLZQQAJUHUISAL-UHFFFAOYSA-N	314.794	1.117	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2nnc3ccccc3n2)cc1	1327513001	LCRCCNJVRSCFKW-UHFFFAOYSA-N	323.312	1.108	50	20	DDGD	
COC(=O)c1ccc(O)c(C=NNC(=O)C2CCOCC2)c1	1330904472	RMDNEPYLUKQUDG-UHFFFAOYSA-N	306.318	1.056	50	20	DDGD	
CO[C@@H]1CCN(c2nnnn2C[C@@]2(C)C[C@@H]2Br)C1	1335977436	QUIJIQMNMQKELW-WCABBAIRSA-N	316.203	1.072	50	20	DDGD	
Cc1ccc(C(=O)NN=C2CCC[C@@H](S(C)(=O)=O)C2)cc1O	1331984456	VDTNKFVCYMRPOF-CYBMUJFWSA-N	324.402	1.774	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(C)c1	1345732470	IMEVSJUSIOAQIY-RISCZKNCSA-N	321.377	1.259	50	20	DDGD	
C[C@H]1COc2ccccc2CN1C(=O)NNC(=O)c1cn[nH]c1	1261791768	AOPDWHZCTGYBSC-JTQLQIEISA-N	315.333	1.047	50	20	DDGD	
C[C@]1(Cn2nnnc2N2CCCCC2)C[C@H]1Br	1262471321	LFCIIDNUHKEYTF-MWLCHTKSSA-N	300.204	1.837	50	20	DDGD	
CC(=O)NC1CCC(C(=O)NNC(=O)c2ccccc2C)CC1	1350814085	FHJHLSIPKOUOPJ-UHFFFAOYSA-N	317.389	1.451	50	20	DDGD	
C[C@@H]1CNc2c(C(=O)NN(C)C(=O)OC(C)(C)C)cnn2C1	1528492901	LTYSBSZNPZSARI-SECBINFHSA-N	309.370	1.456	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)cc1F	1608904148	JNHAMJFDTYUFTR-NXEZZACHSA-N	304.281	1.494	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2c[nH]nc2-c2cccnc2)nc1	1608904514	WJWVXZNXSLKCLM-UHFFFAOYSA-N	324.300	1.322	50	20	DDGD	
CC(C)Cn1ccc(C(=O)NNc2ccc(CC(=O)O)cc2)n1	1603859783	QDBKFCXKJVFERW-UHFFFAOYSA-N	316.361	1.923	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@@H](O)c2ccccc2)ccc1F	1602286920	UZKHOUISIQCPIB-ZDUSSCGKSA-N	304.277	1.701	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(C(=O)O)c(OC)c1	1605493044	IIIYXRIJVBIVJJ-UHFFFAOYSA-N	310.310	1.091	50	20	DDGD	
O=C(O)c1cnc(C(=O)NNc2ccc3ccccc3n2)cn1	1608966052	BQISZZWXZNIZOQ-UHFFFAOYSA-N	309.285	1.480	50	20	DDGD	
Cc1c(C(=O)NNc2ccc(C(=O)O)c(F)c2)nnn1C(C)C	1607508618	HPYVYVNDDRCPIR-UHFFFAOYSA-N	321.312	1.762	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCC2(CCCN(C(=O)CN)C2)CC1	1809674177	RNIARWWZJDYIFJ-GFCCVEGCSA-N	315.845	1.194	50	20	DDGD	
Cc1cccc(C=NNC(=O)NCC(=O)O)c1OC(F)F	1610520411	NCRDGKMQBPGPSN-UHFFFAOYSA-N	301.249	1.314	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@H]1CCCCO1)[C@@H](N)c1ccccc1	1575092134	FUQCTYXOMCNTLH-KGLIPLIRSA-N	319.405	1.429	50	20	DDGD	
C[C@](Cl)(CCl)C(=O)N1CC2(CCCN2C(=O)CC#N)C1	1842623223	UTHQBQXGEAPJOI-LBPRGKRZSA-N	318.204	1.340	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@@H]1CN1CCC[C@@](O)(C2(C(=O)O)CCC2)C1	1594187309	FLGSQACTYIZALO-OXIQGZBJSA-N	301.814	1.942	50	20	DDGD	
O=C(O)CC1(C(=O)NNC(=O)CCOc2ccccc2)CCC1	1594976224	GOQMSLHEYRKFFP-UHFFFAOYSA-N	320.345	1.248	50	20	DDGD	
COC(=O)C12CC(C(=O)NNc3ccc(C(=O)O)c(F)c3)(C1)C2	1598727684	ZTWQLBDXIAZQDM-UHFFFAOYSA-N	322.292	1.310	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)c1ccc(C(=O)O)nc1	1594059339	IECANFFEGCUZBE-UHFFFAOYSA-N	305.265	1.684	50	20	DDGD	
COc1ccc(NNC(=O)NCc2ccc(C(=O)O)cc2)nc1	1594105416	LRAXJXWHPDYSLK-UHFFFAOYSA-N	316.317	1.615	50	20	DDGD	
COC[C@@]1(C(=O)O)CCN(C(=O)C2CCC(Cl)CC2)C1	1593959792	FSBSYGWTKLHEMP-QIMFLAQGSA-N	303.786	1.734	50	20	DDGD	
CCC[C@@H](OC)C(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1595607747	NLPGBONOOSWUCB-SNVBAGLBSA-N	315.395	1.395	50	20	DDGD	
N#Cc1ccc(C(=O)O)c(C=NNC(=O)c2ccccc2O)c1	1776017495	DVNYMVAPYBVUEM-UHFFFAOYSA-N	309.281	1.726	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1ccc(OC)c(C(=O)O)c1	1776116253	VLNHAKBMGMGLIQ-YRNVUSSQSA-N	305.286	1.490	50	20	DDGD	
C[C@@H]1C[C@H]1C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1	5694174	VZBVYHNQPMVDDI-LDYMZIIASA-N	310.737	1.300	50	20	DDGD	
Cn1cc(/C=C/C(=O)NNC(=O)Cc2ccc(Cl)cc2)cn1	16060338	KPHYGOSNPBMMAV-QPJJXVBHSA-N	318.764	1.477	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccccc1N1CCCCCC1	161274049	RTYUEOOVOXZWTM-UHFFFAOYSA-N	318.377	1.173	50	20	DDGD	
N[C@@H]1CC[C@@H](C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)C1	158052980	ZCEVRAMRFZJFQW-MWLCHTKSSA-N	321.768	1.961	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cc(-c2ccccc2)on1)N(C)C	160494117	KGIZDGXHXYCQJY-CYBMUJFWSA-N	316.361	1.443	50	20	DDGD	
CCn1c(NNC(=O)[C@H]2CCCCN2)nc2ccccc2c1=O	151541098	CXLIEMIRQBAQKE-CYBMUJFWSA-N	315.377	1.002	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H](C)NC(=O)C(C)(C)C)c1	157205754	WWKNSVVGEWOABP-VIFPVBQESA-N	311.357	1.828	50	20	DDGD	
C#CCSCCNC(=O)NNC(=O)c1c[nH]c2ccccc12	154805805	ZTKHQNAYMSCGDO-UHFFFAOYSA-N	316.386	1.478	50	20	DDGD	
O=[N+]([O-])c1ccc2c(c1)CN(S(=O)(=O)CCCCl)C2	1119340632	UUUNZLHKQLYOBC-UHFFFAOYSA-N	304.755	1.869	50	20	DDGD	
NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(CCl)cc1	312757770	AZGABNMIZQPYHP-LBPRGKRZSA-N	316.810	1.454	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2ccc(F)cc2)cc1	6208470	CSIAQKHKBTUZRO-UHFFFAOYSA-N	302.305	1.974	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cccc(C#N)c2)cc1	55706883	ZEGHOMYBIPXSFC-UHFFFAOYSA-N	323.352	1.961	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2c[nH]nc2C)cc1[N+](=O)[O-]	109859298	NTVGJVVBICBOJP-UHFFFAOYSA-N	303.278	1.010	50	20	DDGD	
COCc1nc(C(=O)NNC(=O)CNc2ccccc2)cs1	104829042	RXBMZBZMNJTMEA-UHFFFAOYSA-N	320.374	1.163	50	20	DDGD	
CN(C)C(=O)c1cccc(C(=O)NNc2ccc(Cl)nn2)c1	118501043	FTCAOBYLLFSUPA-UHFFFAOYSA-N	319.752	1.589	50	20	DDGD	
CC(C)NC(=O)NNC(=O)Cc1ccc(OC(F)F)cc1	63270328	JPOBDENSWCIACU-UHFFFAOYSA-N	301.293	1.569	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(C(=O)NCC(C)C)cc1C	51646831	IGNDFUNRTLYMRN-UHFFFAOYSA-N	322.365	1.773	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C(C)(Cl)Cl	179826191	PQJIBUKXZJKOFU-UHFFFAOYSA-N	305.161	1.579	50	20	DDGD	
CCc1c(C(=O)NNc2cnccn2)cnn1-c1ccccc1	114881496	BJHQOWWATRNZRP-UHFFFAOYSA-N	308.345	1.982	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Cc2cccc(C)c2)c1O	171268159	YJRKAAUVNHWNOK-UHFFFAOYSA-N	314.341	1.713	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	119772202	WMCYPMKEBXVVGM-BONVTDFDSA-N	312.341	1.292	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1cc(C2CC2)[nH]n1	171357764	LKAWAHBNBMRDIJ-UHFFFAOYSA-N	311.305	1.489	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)c1cccc(N(C)C)c1	69316219	DLINGVGJOLIHOP-LBPRGKRZSA-N	305.378	1.495	50	20	DDGD	
CN(C)c1ccc(NC(=O)C(=O)NNc2ccc(C#N)cc2)cc1	119721713	RQPXURIEJMORCY-UHFFFAOYSA-N	323.356	1.706	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1ccc[nH]1)Oc1ccccc1	114031858	RNPKSLXUGJCTRP-NSHDSACASA-N	302.334	1.426	50	20	DDGD	
CN(C)N(C(=O)CC1CCCCCC1)[C@H]1CCS(=O)(=O)C1	175612898	IGZPWZFREKOTNY-AWEZNQCLSA-N	316.467	1.839	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1cccc2cc(C)cnc12	24243314	FIXFLRLBMFUHFE-UHFFFAOYSA-N	309.347	1.483	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H]1CCN(c2ccccc2F)C1=O	171788863	ITFBNUZRJMPOGF-OCHBPSSRSA-N	317.320	1.491	50	20	DDGD	
Cc1ccc(O[C@H](C)CNC(=O)NNC(=O)c2ccc[nH]2)cc1	173222616	QOEDXVZKKISLHS-GFCCVEGCSA-N	316.361	1.735	50	20	DDGD	
Cc1nc2ncnn2c(C)c1CCC(=O)NNc1ccccc1	72595361	AJYOHVCMQALSRU-UHFFFAOYSA-N	310.361	1.817	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COCCO1)c1ccc(Cl)cc1Cl	73843865	GCQKOHOJUYLLBO-JTQLQIEISA-N	319.144	1.170	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)c2ccc[nH]2)c(Cl)c1	120967743	LAJORGNOYLFGEW-UHFFFAOYSA-N	313.766	1.600	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Cc1ccc(-n2cccn2)cc1	76269345	PCEWHHKLAJNFAJ-UHFFFAOYSA-N	316.361	1.971	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cn(C)nc2C(C)(C)C)n1	126928223	YLFHCSUETUFCOW-UHFFFAOYSA-N	302.382	1.881	50	20	DDGD	
CCOC(C)(C)CNC(=O)NNC(=O)c1c[nH]c2ccccc12	187643289	ZFWMQJXEIPKIGG-UHFFFAOYSA-N	318.377	1.927	50	20	DDGD	
C[C@H](CBr)CN1CCN(c2nccn2C)CC1	134035253	JKJXEIAADXQXEZ-LLVKDONJSA-N	301.232	1.573	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CCc2ccc(O)cc2)cc1	183638233	ZHRKXDIRIDGHFS-UHFFFAOYSA-N	309.325	1.658	50	20	DDGD	
COCc1ccc(NC(=O)NNC(=O)c2cc(C)n[nH]2)cc1	192560324	VLLNJVDGBCTSSC-UHFFFAOYSA-N	303.322	1.331	50	20	DDGD	
CC(C)C[C@H](CNS(=O)(=O)CBr)C(=O)O	380148768	ADSACXMBZBUEEK-SSDOTTSWSA-N	302.190	1.005	50	20	DDGD	
COC(=O)CCCC(=O)NNc1cccc(C(F)(F)F)n1	131261265	FDIFRVMGWSTILO-UHFFFAOYSA-N	305.256	1.887	50	20	DDGD	
O=S(=O)(CCCCCl)NCCCOC[C@H]1CCCO1	228333273	XTBZPYUIPUIDRE-GFCCVEGCSA-N	313.847	1.511	50	20	DDGD	
C[C@@H](OC[C@H]1CCCO1)C(=O)NNC(=O)CCc1ccccc1	132453037	PGAMURJMOXTZOP-UKRRQHHQSA-N	320.389	1.351	50	20	DDGD	
COc1ccc2c(c1)C=C(C(=O)NNC(=O)c1ccccc1)CO2	86964252	RTMJEBFNCNMFRD-UHFFFAOYSA-N	324.336	1.932	50	20	DDGD	
Cc1[nH]ncc1CCCNC(=O)NNC(=O)c1ccccc1O	45539767	MJLXBNOTEYMKOE-UHFFFAOYSA-N	317.349	1.001	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H]1CCC[C@@H]1CCO	194882933	MJTOQRXAFAJNBZ-JYESXXLSSA-N	300.358	1.966	50	20	DDGD	
O=C(NNC(=O)[C@H]1OCCc2ccccc21)NC1CCCC1	269638021	BFUOCNNTACOKHA-AWEZNQCLSA-N	303.362	1.573	50	20	DDGD	
C[C@H]1CCC[C@H](NC(=O)NNC(=O)COc2ccccc2O)C1	264551534	CWAOSPRHWBWSMI-RYUDHWBXSA-N	321.377	1.680	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@H](C)CO)c1C	269549973	NYANPCPBCLOOEX-WIJRQFRKSA-N	319.405	1.403	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2c(C)noc2C(C)C)n1	266924038	LZMQHZQYJKOKBM-UHFFFAOYSA-N	305.338	1.970	50	20	DDGD	
CSSCCNS(=O)(=O)c1cn2c(n1)CCCC2	367406269	WHCGGJOLKATLNY-UHFFFAOYSA-N	307.466	1.509	50	20	DDGD	
C[C@H](CC(=O)c1ccccc1F)C(=O)NNC(=O)C1CCC1	266297094	BWVZCDVGRLIPMX-SNVBAGLBSA-N	306.337	1.982	50	20	DDGD	
CC1=CCN(CC(=O)NNC(=O)Cc2ccccc2C)CC1	270350954	PSNMWKZKFQSHNI-UHFFFAOYSA-N	301.390	1.337	50	20	DDGD	
C[S@](=O)c1ccc(NC(=O)NNC(=O)CC2CC2)cc1F	273508873	RLZILCZBIGEFNQ-NRFANRHFSA-N	313.354	1.516	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H](O)CCc2ccccc2)n1	270892003	QKVGPNYZHXPFNM-CQSZACIVSA-N	300.362	1.530	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1cccc(N2CCCC2=O)c1	273327305	MJDRNVNTYCCGCN-UHFFFAOYSA-N	316.361	1.766	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1cccnc1OC(C)C	274163328	MMRJYOBNUZNGMU-UHFFFAOYSA-N	322.365	1.001	50	20	DDGD	
Cc1ccc2c(c1)[C@H](NS(=O)(=O)CBr)CO2	364689627	GCFNRZNTZMFMNI-SECBINFHSA-N	306.181	1.700	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)[C@@H]1CCCN1C1CC1	278730503	PZEBBAPHERVQOF-ZDUSSCGKSA-N	313.361	1.405	50	20	DDGD	
CCCCOc1cccc(NC(=O)C(=O)NNC(=O)C2CC2)c1	274019106	DRZXAEIQUHOLFR-UHFFFAOYSA-N	319.361	1.361	50	20	DDGD	
C[C@H](C(=O)N1CC=C(C#N)CC1)n1nnc(-c2ccccc2)n1	271093019	ILUNWKOUTXXTTF-GFCCVEGCSA-N	308.345	1.583	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1ccc2c(O)nccc2c1	285539190	AHHZSPPIWLTCRO-UHFFFAOYSA-N	318.333	1.520	50	20	DDGD	
COC(=O)N(C)NC(=O)c1[nH]nc(C2CC2)c1Br	286311290	KKVPTKCJCOBOGW-UHFFFAOYSA-N	317.143	1.393	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(OCC(F)(F)F)cc1	288483815	SBQPGNNWRXUCKW-UHFFFAOYSA-N	306.284	1.851	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1	286370566	NNEDIPNNBGBFPA-UHFFFAOYSA-N	320.754	1.087	50	20	DDGD	
C=CCNC(=S)NNC(=O)C(C)(C)Oc1ccc(C#N)cc1	281148349	HIOAYIOWSYTDCP-UHFFFAOYSA-N	318.402	1.397	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C[C@@H]2CCCCO2)cc1	282947325	TXGYNBLKDIKXCV-ZDUSSCGKSA-N	319.361	1.040	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)CCCOC1	283752045	KXMURZAHIOUVTF-CQSZACIVSA-N	313.304	1.934	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1nccnc1C1CCC1	287322170	WZWXFFXAZYUITK-UHFFFAOYSA-N	321.381	1.714	50	20	DDGD	
C=CC(C)(C)C(=O)NNC(=O)COc1ccccc1OCC	294375305	NPDHBMSNPKXGAD-UHFFFAOYSA-N	306.362	1.824	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1)N(C)C	802044450	PTMMUWVOIYDLGJ-QMMMGPOBSA-N	316.308	1.391	50	20	DDGD	
CC[C@@H](C)CCC(=O)OCC(=O)NNC(=O)c1cccs1	803879955	RUHIAFUEUJLHHP-SNVBAGLBSA-N	312.391	1.879	50	20	DDGD	
Cc1cc2ccccc2n1CC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	294215048	LYMVZDGOMBHYGV-WFASDCNBSA-N	315.373	1.665	50	20	DDGD	
CC(=O)NCC[C@@H]1CCCN(C(=O)NNC(=O)C(C)(C)C)C1	808268394	LZQKBSULZZIERQ-LBPRGKRZSA-N	312.414	1.012	50	20	DDGD	
O=C(NC[C@@H]1COc2ccccc21)NNC(=O)c1ccccc1	808197766	KICWUFJTPUDVRR-CYBMUJFWSA-N	311.341	1.807	50	20	DDGD	
CC(C)(C(=O)NNc1nnc[nH]1)c1ccc(Br)cc1	298438017	PBKQQXYTCWLBAP-UHFFFAOYSA-N	324.182	1.988	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1coc(C2CCOCC2)n1	801621808	QBTTWTPRKKYMHM-UHFFFAOYSA-N	323.740	1.769	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1	298320576	ZVSMOLRXGHPYRF-JTQLQIEISA-N	323.349	1.184	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)cn1	802098482	RRJYACUVYMJHEM-UHFFFAOYSA-N	314.301	1.585	50	20	DDGD	
Cc1nccn1CCCNC(=O)NNc1cncc(Cl)n1	298983623	QHMHWVRFUWYCRK-UHFFFAOYSA-N	309.761	1.351	50	20	DDGD	
C[C@@H]1CCCN(c2cc(C(=O)NNc3ncccn3)ccn2)C1	292498526	FNWULHAJBZWTHU-GFCCVEGCSA-N	312.377	1.865	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)Nc1ccccc1	801986394	KRPTWMSADMJGJK-CYBMUJFWSA-N	318.377	1.630	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1csc(-c2cnccn2)n1	294323526	YKFACPRHFYPBCV-UHFFFAOYSA-N	303.347	1.161	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)N1CCC[C@H]1CF	296509865	ZFEJMGSCAQVJMM-LBPRGKRZSA-N	309.341	1.630	50	20	DDGD	
O=C(/C=C/c1ccc2c(c1)CCO2)NNC(=O)[C@@H]1CCCCO1	295816765	XOCMHEKFYXBHMN-ZKKXHLJNSA-N	316.357	1.351	50	20	DDGD	
CC/C=C(/C)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O	809985156	HSHCWCKWKYDJBN-XFFZJAGNSA-N	314.345	1.695	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=O)Cc2ccccc2C)o1	815820128	BNWPDZZLXSPGRY-UHFFFAOYSA-N	301.346	1.858	50	20	DDGD	
CC(C)N1CC(=NNC(=O)COc2ccccc2O)[C@H](C)C1	814951461	FJHMWMFPYCXLHC-GFCCVEGCSA-N	305.378	1.603	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=C1COc2c(Cl)cccc21	814695239	SUFGSSXZUGYQIA-UHFFFAOYSA-O	302.741	1.540	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1ccc([N+](=O)[O-])cc1F	815001268	BXRWXRBRXXIZKH-UHFFFAOYSA-N	303.253	1.706	50	20	DDGD	
Cc1ccc(F)c(-n2cc(O)c(C(=O)NN(C)C3CC3)n2)c1	819652398	OBUYCGBPGRJZQF-UHFFFAOYSA-N	304.325	1.764	50	20	DDGD	
CCCC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccnc1	814781883	OJVKMDLOVGDOFI-GFCCVEGCSA-N	309.391	1.137	50	20	DDGD	
Cn1nncc1NNC(=O)Cc1ccc(Cl)c(Cl)c1	816769930	CHVJNYPLYQRTOV-UHFFFAOYSA-N	300.149	1.808	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C2(C#N)CCOCC2)ccc1C	816688029	ZWEJYHAGICPVIQ-UHFFFAOYSA-N	317.345	1.545	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(F)ccc1Cl	814511177	LUAWSPCISUHVPX-SSDOTTSWSA-N	316.716	1.582	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2cnn(C)c2Cl)cc1	814720216	MATYPKXFZUNCDA-UHFFFAOYSA-N	322.752	1.611	50	20	DDGD	
C=CCC(F)(F)C(=O)NNC(=O)Cn1cnc2ccccc21	814723220	MGFHGTXLACNCAF-UHFFFAOYSA-N	308.288	1.395	50	20	DDGD	
CO[C@@H](C)[C@@H](C)NC(=O)NNc1ccccc1S(C)(=O)=O	811960308	TUGWVSDBALDNLN-ZJUUUORDSA-N	315.395	1.140	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)Cn1ccc2ccccc21	812499508	LHBVZBOSJBFXFD-STQMWFEESA-N	317.389	1.707	50	20	DDGD	
O=C(Cc1ccccc1F)NNc1cccc(-c2nn[nH]n2)c1	826423877	LBBYBQMJZNJHTE-UHFFFAOYSA-N	312.308	1.692	50	20	DDGD	
COc1ccc(C2(C(=O)NN(C)[C@H](C)CO)CCOCC2)cc1	823965660	RHPHMAPLIMJXDZ-CYBMUJFWSA-N	322.405	1.087	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C(C)[C@H]1CCCO1	496729983	HVWFDXXTNJEVOI-QWHCGFSZSA-N	323.393	1.574	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(F)cc2ccoc12	823473936	HBFWKYSHPBKRMH-GZMMTYOYSA-N	306.293	1.758	50	20	DDGD	
CC(C)(C)OC(=O)N(CC(=O)NNc1ccncn1)C1CC1	496963717	QHOXYEMQCNJEGN-UHFFFAOYSA-N	307.354	1.319	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1C[C@H](C)C[C@@H]1c1cccnc1	828868322	MDBJXRVRMNNMCH-TZMCWYRMSA-N	304.394	1.268	50	20	DDGD	
CCN(CCc1ccccc1)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	827306274	FTYVASWNSDKEPR-ZFWWWQNUSA-N	319.405	1.717	50	20	DDGD	
CSC[C@@H]1CCCN(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)C1	827269434	XRJPPDLFPFJMKG-QJPTWQEYSA-N	315.439	1.227	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)/C=C/[C@@H]2CCOC2)c1	822200599	RQYZJXRXHJDPAF-PGLGOXFNSA-N	320.345	1.058	50	20	DDGD	
CCOC(=O)NNC(=O)c1nnn(-c2ccccc2Cl)c1C	491171504	YUTULPJXYOBSCX-UHFFFAOYSA-N	323.740	1.620	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C/c1ccc(-n2cncn2)c(C)c1	588555393	VVXTWBGTZYVVSL-NTUHNPAUSA-N	302.359	1.875	50	20	DDGD	
C[C@H](CC(=O)O)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	827303511	GJUUORSXIDWIBD-SECBINFHSA-N	324.406	1.181	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(OC(F)F)c(OC)c1	823833660	FLESRXJDBVHZOK-UHFFFAOYSA-N	304.293	1.256	50	20	DDGD	
CC[C@H]1[C@@H](C(=O)NN(C)C(N)=O)CCN1C(=O)OC(C)(C)C	497250162	BPYJSVQFZPGVMZ-UWVGGRQHSA-N	314.386	1.064	50	20	DDGD	
COc1ccccc1C[C@H](C)CC(=O)N1CC[C@@H](B(O)O)C1	585067623	UWTVHKGSSIEEBZ-GXTWGEPZSA-N	305.183	1.339	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1c[nH]c(C(=O)N2CCCC2)c1	490735135	XGOLOWTXZCQNJV-UHFFFAOYSA-N	322.365	1.420	50	20	DDGD	
CCN(CCO)NC(=O)Cc1ccc(Br)cc1F	823893789	WTLAAWFRLUFFMM-UHFFFAOYSA-N	319.174	1.476	50	20	DDGD	
CC(=NNC(=O)c1ncon1)[C@H]1CCN(Cc2ccccc2)C1	901289086	AZORRQVMBCKHMT-AWEZNQCLSA-N	313.361	1.697	50	20	DDGD	
CC(C)Cn1cccc(C(=O)NNc2ccc(C#N)cn2)c1=O	829727517	HTESMCBQKJIHLE-UHFFFAOYSA-N	311.345	1.528	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(F)c(C(=O)OC)c(F)c1	495659907	VQAYLPZLCMEZTG-UHFFFAOYSA-N	303.221	1.144	50	20	DDGD	
CC(C)NC(=O)/C(C#N)=C/c1ccc(-c2nn[nH]n2)cc1F	820133984	VEXGFQZSTHKGFX-VZUCSPMQSA-N	300.297	1.437	50	20	DDGD	
OB(O)c1cccc(CNCc2nc(C(F)(F)F)cs2)c1	585024760	CBFDJKSCMPYHFY-UHFFFAOYSA-N	316.113	1.132	50	20	DDGD	
CCCCn1ncc(NC(=O)NNC(=O)c2cc[nH]n2)c1C	822051438	VAVYEFAZUQYUOB-UHFFFAOYSA-N	305.342	1.181	50	20	DDGD	
CC(=NNC(=O)NCCNC(=O)OC(C)(C)C)c1ccccn1	491498589	JGRCWKPHDPUOFC-UHFFFAOYSA-N	321.381	1.630	50	20	DDGD	
C[C@@]1(C(=O)NCC2(N3CCOCC3)CC2)C[C@H]1Br	907758350	GOOJBGGQWHFMNU-ZYHUDNBSSA-N	317.227	1.141	50	20	DDGD	
COC(=O)C1CCC(NC(=O)NNC(=O)OC(C)(C)C)CC1	730130900	IQVXPNMSBWBLIT-UHFFFAOYSA-N	315.370	1.457	50	20	DDGD	
CO[C@@H]1C[C@@H](N(C)C(=O)/C(C#N)=C/c2cnn(C)c2)C12CCC2	491176166	NXKYAPIMAYXBCH-PHIGAYBXSA-N	314.389	1.743	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1cccc(-c2nn[nH]n2)c1	735593931	OKKQWITWIBZEPI-UHFFFAOYSA-N	317.353	1.456	50	20	DDGD	
CCOC(=O)NNC(=O)N=c1cc[nH]cc1Br	495276344	MTIVTPNMJZZYEN-UHFFFAOYSA-N	303.116	1.049	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)N(CC)CC	735989013	GOEAGZAKHFITHG-CYBMUJFWSA-N	322.365	1.476	50	20	DDGD	
O=C(NN=C(CC1CC1)c1ccccc1)[C@H]1CCS(=O)(=O)C1	735972420	CDBWNJYNFLOZES-AWEZNQCLSA-N	320.414	1.742	50	20	DDGD	
CCOC(=O)[C@H](C)[C@@H](C)NC(=O)/C(C#N)=C/c1cnn(C)c1	491163222	VRBKDTDDJQLWAP-RACMRDOMSA-N	304.350	1.031	50	20	DDGD	
C[C@@H]1CCC[C@]1(C)C(=O)OCC(=O)NNC(=O)c1cccs1	837933636	WROWJZXSPINKJA-BMIGLBTASA-N	324.402	1.879	50	20	DDGD	
CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)NNc1cccc(C(=O)O)c1	833555067	FJQDVTVCOWTVLB-XQQFMLRXSA-N	319.361	1.824	50	20	DDGD	
CCC[C@H](C)C(=O)NCCNC(=O)NNc1cccc(C#N)c1	838605072	OUPYRZKPIHGUOR-LBPRGKRZSA-N	317.393	1.737	50	20	DDGD	
Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3cccc(B(O)O)c3)C2)cc1	584982737	JYBPRKVUFIBVBT-YOEHRIQHSA-N	323.201	1.693	50	20	DDGD	
CCCN(Cc1ccc(C#N)cc1)[C@H](C)C(=O)NNC(=O)CC	731848695	LNXUGPJUYHDVAA-CYBMUJFWSA-N	316.405	1.716	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2ccc(C)c(C)n2)n1	838750371	CECOZKIHFFAVKF-UHFFFAOYSA-N	316.365	1.632	50	20	DDGD	
Cc1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)n(C)n1	738353706	VZAGOXJWEREDPH-UHFFFAOYSA-N	305.246	1.554	50	20	DDGD	
Cc1nc(-c2ncccn2)sc1C(=O)NNC(=O)C1CCC1	732140513	AXJRPUFTOWUECC-UHFFFAOYSA-N	317.374	1.470	50	20	DDGD	
CN(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2cccc(B(O)O)c2)cc1	584909491	DTZWKLFKWDGKIB-IRXDYDNUSA-N	324.189	1.175	50	20	DDGD	
CN(C)CCn1nccc1C(=O)NNc1c(F)cccc1F	901161893	BXWATVOPJYRCRN-UHFFFAOYSA-N	309.320	1.480	50	20	DDGD	
C[C@@]1(CNC(=O)N2CC(=O)N(C3CC3)C2)C[C@H]1Br	856898248	ZIZATSLWJBSSBF-SKDRFNHKSA-N	316.199	1.134	50	20	DDGD	
C[C@]1(C(=O)N[C@@H](CO)Cc2ccccc2)C[C@H]1Br	907394667	QWCKATMETMJPRH-BZPMIXESSA-N	312.207	1.880	50	20	DDGD	
Cc1cc(OCC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)no1	738474800	RDCAMFVHLHPVAN-UHFFFAOYSA-N	322.229	1.574	50	20	DDGD	
COc1ccc(C=NNC(=O)C2CCC2)cc1-c1nn[nH]n1	737082570	XLVWOKJCEKLBGS-UHFFFAOYSA-N	300.322	1.126	50	20	DDGD	
COc1ccc(CC[C@H](C)NCc2ccc(B(O)O)cc2)cc1	585019638	QFQAGEANUZRBPP-AWEZNQCLSA-N	313.206	1.486	50	20	DDGD	
CC[C@@](C)(C=NNC(=O)c1cccc(S(C)(=O)=O)c1)OC	834940416	FONVYNLJQBFBLC-AWEZNQCLSA-N	312.391	1.621	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1cc(C(=O)O)ccc1C(=O)OC	737130018	URTXZHICOIYHJK-CSKARUKUSA-N	318.285	1.554	50	20	DDGD	
Cc1cc(OC(=O)CCC(=O)N2CCOCC2)ccc1[N+](=O)[O-]	917027644	FSHZJKQLMXKIST-UHFFFAOYSA-N	322.317	1.448	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1CNC(=O)NNc1ncccn1	918114701	NMLCITHGBUYOGM-UHFFFAOYSA-N	318.293	1.220	50	20	DDGD	
O=C(NNc1cccc(F)c1)c1cn(Cc2ccccn2)nn1	748090411	OWSURKBVRIVLNV-UHFFFAOYSA-N	312.308	1.617	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1ccc(-n2cccn2)cc1	918687127	HXHJSNIMIFZXSF-UHFFFAOYSA-N	315.402	1.096	50	20	DDGD	
CCc1c(C(=O)NN(C)C[C@@H](C)O)cnn1-c1ccccc1	910174389	SPPUJDBZVNXBIB-GFCCVEGCSA-N	302.378	1.392	50	20	DDGD	
CCCCOC(=O)C(C)(C)NC(=O)/C(C#N)=C/c1cnn(C)c1	848328002	VSYAJZHPVBUNOC-MDWZMJQESA-N	318.377	1.565	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1ccn(CCN(C)C)n1	847752364	QNLMNIHDMVDCQX-UHFFFAOYSA-N	305.357	1.649	50	20	DDGD	
COc1cc2c(cc1F)C(=NNC(=O)[C@@H]1CCO[C@@H]1C)C(=O)N2	842549836	RQHASFUVHJTAQM-HTQZYQBOSA-N	321.308	1.032	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc2c1OCC2(C)C	843652384	AXDPDJMMDGDSLW-MNOVXSKESA-N	318.373	1.543	50	20	DDGD	
C/C(=C/c1ccc(C)cc1)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843656777	NLGAQVDRZSPWIN-DUAKTUNXSA-N	302.374	1.971	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)c2ccc3c(c2)OCCO3)[C@H]1OC	841616072	JJOQTDDNHBITEO-HUUCEWRRSA-N	320.345	1.367	50	20	DDGD	
CCn1ccc(CC(=O)NNc2cccc(C(=O)OC)c2)n1	845928433	MWJWJSFDTDRXPQ-UHFFFAOYSA-N	302.334	1.375	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CSc1cccc[n+]1[O-]	914439083	XISBGBAYZIDDQP-UHFFFAOYSA-N	317.370	1.182	50	20	DDGD	
NC[C@H](NC(=O)NNC(=O)c1ccccc1F)C1CCCCC1	841938728	ATXHXKSFSJAZKA-AWEZNQCLSA-N	322.384	1.677	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)Cc2cncc(O)c2)n1	848372322	OCIASQUGXHCJST-UHFFFAOYSA-N	316.365	1.109	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)Cc1cccnc1)CC(C)C	841578212	KOUDEPXHXPLNNM-CYBMUJFWSA-N	308.382	1.016	50	20	DDGD	
COCC1(CC(=O)NNC(=O)c2ccc(Cl)cc2O)CC1	844130423	DCBFCMNNXZSUGC-UHFFFAOYSA-N	312.753	1.623	50	20	DDGD	
COC(C)(C)CNC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	743675602	ZVDLFKUCMLLCGJ-UHFFFAOYSA-N	323.397	1.513	50	20	DDGD	
CCCCNc1ccccc1C(=O)NNC(=O)NCCCOC	847393951	SJYBLVCJYQPHIZ-UHFFFAOYSA-N	322.409	1.879	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1cc(C)sc1C	743447964	TXKINKDFNLYFJR-UHFFFAOYSA-N	320.374	1.649	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C(C)(C)Nc2ccccc2)n[nH]1	911420284	REGDOCIYCCYKIP-UHFFFAOYSA-N	315.377	1.299	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)C(C)(C)C)C(=O)OC(C)(C)C	847426516	GSSVTXPIQQYUHS-SECBINFHSA-N	301.387	1.341	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCC(=O)C1	843753737	KGRRBXMISLCBDM-VHSXEESVSA-N	308.309	1.110	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)CC(F)(F)F)cc1F	918703737	HRGSOUBGMYLPOI-UHFFFAOYSA-N	308.231	1.477	50	20	DDGD	
CCCCO[C@@H]1CC(=NNC(=O)C(=O)N2CCCC2)C1(C)C	747630393	NLQLMCXBKVCDPG-CYBMUJFWSA-N	309.410	1.696	50	20	DDGD	
O=C(NNC(=O)c1ccncc1F)c1ccc2c(c1)OCCO2	741175718	IQCRSQRJCCXELG-UHFFFAOYSA-N	317.276	1.067	50	20	DDGD	
Cc1c(Br)ccc(C(=O)NN(C)C[C@H](C)O)c1F	910149126	AGQNFEHHAJOLSN-ZETCQYMHSA-N	319.174	1.854	50	20	DDGD	
CCN[C@H](C)CNC(=O)NNC(=O)c1cccc2cccnc12	841984999	NDFBATGVSGOZIJ-LLVKDONJSA-N	315.377	1.177	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)N(C)C)ccc1OC(C)C	848972469	ZIPNMXAUYIVIMO-UHFFFAOYSA-N	307.350	1.592	50	20	DDGD	
O=C(NNC(=O)c1ncccn1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	842173719	YKPAZWBZACKAAV-YNEHKIRRSA-N	317.393	1.780	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NC[C@@H]1CCC[C@@H](C)C1	748627094	WZWLCACDMJVFMO-JHJVBQTASA-N	315.414	1.195	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccccc1-n1cncn1	745313640	UZYFFZUHOYWINY-ZROIWOOFSA-N	311.345	1.327	50	20	DDGD	
COCCCNC(=O)NN=Cc1cnc(-c2ccccc2)nc1	920830218	SNJXSQVSQXJFSJ-UHFFFAOYSA-N	313.361	1.813	50	20	DDGD	
COC(=O)c1cc(S(=O)(=O)N2CC=C(C#N)CC2)ccc1F	759081691	OWXMIBKLKCCGEA-UHFFFAOYSA-N	324.333	1.457	50	20	DDGD	
COC(=O)N(C)CCNC(=O)NNc1ccc(F)c(F)c1	923308113	BPRJVNKUMRHNQJ-UHFFFAOYSA-N	302.281	1.289	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H](C)N1CCCCCC1)C1CC1	855101106	PQSLNAWYYQHGCU-NWDGAFQWSA-N	312.483	1.545	50	20	DDGD	
C#C[C@@H](CC)NC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	854068942	OAVHIWJKHZCQRG-QWRGUYRKSA-N	307.325	1.335	50	20	DDGD	
C[C@@H](C(=O)NNc1cccnn1)c1ccc(S(C)(=O)=O)cc1	753338052	BSJTYWKQDXWKJN-SNVBAGLBSA-N	320.374	1.127	50	20	DDGD	
CC(C)Cn1ncc(C(=O)NNC(=O)C(C)C)c1C(F)F	758074590	BPTRKZFGWPOWCI-UHFFFAOYSA-N	302.325	1.894	50	20	DDGD	
CCc1ccc(C(C)=NNC(=O)C(=O)Nc2ccccn2)o1	758379581	CSAVUGGWTUGXAS-UHFFFAOYSA-N	300.318	1.716	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc3cccnc23)C1	858164854	FTRGLDZZSCYLCY-HAQNSBGRSA-N	314.345	1.356	50	20	DDGD	
C[C@@H](OC(=O)/C(C#N)=C\c1ccc(O)cc1)C(=O)NC1CC1	750665514	BUQSSLPPWAHJTD-BKLZJWBFSA-N	300.314	1.509	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@@H](c1ncc(C)s1)C1CC1	754413170	FMBZWTXCUDVUBG-JOYOIKCWSA-N	310.423	1.438	50	20	DDGD	
NC(=O)c1csc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)c1	755874462	PEVZIDOHLXNJMO-UHFFFAOYSA-N	318.314	1.519	50	20	DDGD	
CCN1CCC[C@@H](NC(=O)NNc2ccc(F)c(F)c2)C1=O	925988363	SBHGQELSXWOXQU-GFCCVEGCSA-N	312.320	1.602	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)c1cccc(Cl)c1)C1CC1	852555431	UQAPPOAAPXKZOG-CYBMUJFWSA-N	309.797	1.879	50	20	DDGD	
O=C(CSCc1cccnc1)NNC(=S)NCC1CCC1	855091944	KGQUATHYSRQCCB-UHFFFAOYSA-N	324.475	1.610	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cnc(-c2cccs2)s1	751520340	HSRISYFTEQFCBS-UHFFFAOYSA-N	322.415	1.846	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C1CCCc2ccccc21	750938341	BHDLTJWGZKSORI-UHFFFAOYSA-N	311.341	1.866	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CCc1ccc(O)cc1	854386704	SZYXKSGWPQROJM-UHFFFAOYSA-N	324.377	1.261	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2CCN(C)CC2)c1C	855626036	QLHHTSVTYKVCET-UHFFFAOYSA-N	305.378	1.567	50	20	DDGD	
O=C(NCC[C@@]1(O)CCCOC1)NNc1ccc(Cl)cn1	852401007	CDIQLMSQVCHPSJ-ZDUSSCGKSA-N	314.773	1.293	50	20	DDGD	
CCCC[C@@H](COC)NC(=O)NNc1ncc(Cl)cn1	856865764	PZOFBGXBWUVOJZ-JTQLQIEISA-N	301.778	1.961	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cnc2n1[C@@H](C)CCC2)C1CC1	855095782	OSEHGTSXRJWGCL-UWVGGRQHSA-N	321.450	1.688	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)CCC(=O)N1CCOCC1	855365632	OSBSZCKRQIGDMD-UHFFFAOYSA-N	309.341	1.216	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(N(C)C)nc2ccccc12	755171379	NNFHGXHMAUAKSA-UHFFFAOYSA-N	315.377	1.655	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)Nc2cnn(C)c2)cc1	755492943	MXSJRFLNHAFRJA-UHFFFAOYSA-N	319.390	1.674	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1sc(C)cc1C	868137798	QVUOLMUPMYUTJL-UHFFFAOYSA-N	314.407	1.915	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=C2CCc3cc(F)c(Cl)cc32)N1	863151392	LWAHKCBSZMFIIE-LBPRGKRZSA-N	309.728	1.524	50	20	DDGD	
COc1cccc(NNC(=O)[C@]2(C)COc3ccccc3O2)n1	860677339	PFLVDNQDYQIHQJ-INIZCTEOSA-N	315.329	1.763	50	20	DDGD	
N#CC1=CCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)CC1	767176093	AMWNFJDRSUPQQV-UHFFFAOYSA-N	320.352	1.587	50	20	DDGD	
C[C@H](NNC(=O)C[C@@H](C)NC(=O)c1ccccc1)C(F)(F)F	862304354	ANZMLADOZNDLCS-ZJUUUORDSA-N	317.311	1.767	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2CCO[C@@H](C(C)C)C2)n1	933985508	IQMNUNKGCHHVCI-NWDGAFQWSA-N	308.382	1.688	50	20	DDGD	
COC(=O)[C@@H](NC(=O)[C@@H](Br)C(C)(C)C)C1CC1	768208480	OIGUCRGFZDLQEJ-DTWKUNHWSA-N	306.200	1.864	50	20	DDGD	
C[C@@H]1Cc2cc(NC(=O)NNC(=O)c3cnn(C)c3)ccc2O1	933149128	CZSCZUUTIVXJPN-SECBINFHSA-N	315.333	1.210	50	20	DDGD	
Cn1nccc1[C@@H]1CN(CCI)CCO1	933539044	OBLPIAVZEQYVHW-JTQLQIEISA-N	321.162	1.228	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc2nnc(S)n2c1)C(F)(F)F	862319323	BHYCGJSQKOWRHA-RXMQYKEDSA-N	305.285	1.203	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)C(F)(F)F	862306613	MWCLCJOPOWNIRG-IMTBSYHQSA-N	319.258	1.823	50	20	DDGD	
CC(C)=C[C@H]1[C@@H](C(=O)NNC(=O)Cc2cc(C)[nH]n2)C1(C)C	869013093	MBJUDXRNDFGWOF-JSGCOSHPSA-N	304.394	1.646	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)C1(C#N)CCOCC1	862287402	NMYJGGKJQBCCEW-UHFFFAOYSA-N	317.345	1.607	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc[nH]1	862515673	ZZBVTJWCOQTBGJ-LSDHHAIUSA-N	312.329	1.967	50	20	DDGD	
CCCC[C@](C)(F)C(=O)OCC(=O)NNC(=O)c1ccccc1	1118404062	SNDKKJBRFFQQFI-INIZCTEOSA-N	324.352	1.909	50	20	DDGD	
CCC[C@H](CC)C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1	877998921	JRRVODRVQHHSHG-MCIONIFRSA-N	313.442	1.459	50	20	DDGD	
CC[C@@H]1CCCCN1CCNC(=O)NN=c1cc[nH]c(C)c1	875306410	NSFVBJQSHWUUJE-OAHLLOKOSA-N	305.426	1.703	50	20	DDGD	
CCC[C@@H](CC)C(=O)OCC(=O)NNC(=O)c1ccccc1	873419541	VKXDDDXSFYNIPD-GFCCVEGCSA-N	306.362	1.817	50	20	DDGD	
C[C@@H](C(=O)NNC(=S)Nc1ccc(N(C)C)cc1)N(C)C	874950746	GNGZLPQBUJBPCT-JTQLQIEISA-N	309.439	1.020	50	20	DDGD	
OB(O)c1ccc(CNCCCOc2ccccc2F)cc1	876901669	GYCAVQLKRXXUEM-UHFFFAOYSA-N	303.142	1.064	50	20	DDGD	
O=C(NCCC1CCOCC1)NNc1ncc(F)cc1F	1117808515	OLMSDJQSAZVSRQ-UHFFFAOYSA-N	300.309	1.803	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1ccc2nc[nH]c2n1	774792405	USJJBXBSWBETKT-UHFFFAOYSA-N	305.301	1.658	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccn(C2CCCCC2)n1	1116805034	NQPPUFCWLIZYFT-UHFFFAOYSA-N	323.353	1.104	50	20	DDGD	
CCCN1CCC[C@H]1C(=O)NNC(=S)Nc1ccccn1	874956906	SOKVDHINDUKFQS-NSHDSACASA-N	307.423	1.274	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)c3cc(F)cc(F)c3)nc21	770973746	QBOBTPSVALZWEZ-UHFFFAOYSA-N	320.259	1.104	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](C)n2ccnc2)c([N+](=O)[O-])c1	1116304036	DGVXUORMIVWXRQ-VIFPVBQESA-N	305.294	1.504	50	20	DDGD	
COc1cc(NC(=O)NNc2ncc(F)cn2)cc(OC)c1	775402775	GNPYONFNVQUUBK-UHFFFAOYSA-N	307.285	1.782	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)[C@]1(O)CCSC1	771561784	SKDPAJHQYLDNCC-JTQLQIEISA-N	318.196	1.155	50	20	DDGD	
CC[C@H](Cc1cccc(C)c1)C(=O)NNC(=O)Cc1cc[nH]n1	874437090	DZIQOKJYQRUGNS-CQSZACIVSA-N	314.389	1.677	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)CN(C)C(C)C)c1	874947808	NUNKRDJVKMIHMI-UHFFFAOYSA-N	312.414	1.792	50	20	DDGD	
Cc1oc(C)c(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)c1C	771968910	YVCHJZPQHGHWQL-LBPRGKRZSA-N	324.377	1.944	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H](CN)C2CCCC2)cc1	1118031631	DMLAFGLIWVRFCF-CQSZACIVSA-N	320.393	1.157	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)c1O)c1ccccc1O	776223472	ZHTJOYKCBQPTGH-UHFFFAOYSA-N	306.705	1.826	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)[C@@](C)(O)C2CC2)cc1	874953190	WGTXDWAXVVTYAN-HNNXBMFYSA-N	322.434	1.231	50	20	DDGD	
Cc1c[nH]cc(C(=O)NNc2ccc(C(F)(F)F)cn2)c1=O	775265253	IEMYSAPTSWIMAQ-UHFFFAOYSA-N	312.251	1.854	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc2ccc(C)cc2[nH]1	771838125	GLUMCYJPNRXISY-JTQLQIEISA-N	317.345	1.579	50	20	DDGD	
CN(NC(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1)C(N)=O	778412670	VGJKQTKNJDTEJW-UHFFFAOYSA-N	300.322	1.004	50	20	DDGD	
NC(=O)N1CCC[C@H](C(=O)NNc2ccc(Cl)cc2F)C1	885109758	CMGMDCKBTGJXFM-QMMMGPOBSA-N	314.748	1.713	50	20	DDGD	
Cc1cc(C)c(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)o1	772169381	XDDYVORTIRBSRV-LLVKDONJSA-N	310.350	1.635	50	20	DDGD	
CC[C@H](C)n1ncc2c(C(=O)NN(C)C(N)=O)cc(C)nc21	778411874	HQTDWKHVFWXFIQ-VIFPVBQESA-N	304.354	1.366	50	20	DDGD	
CC(=NNC(=O)C(=O)NCc1ccc(Cl)cc1)c1ccc[nH]1	771567711	IYDZFTRPWPCEML-UHFFFAOYSA-N	318.764	1.825	50	20	DDGD	
C#CCOc1ccccc1NC(=O)NNC(=O)CC(F)(F)F	776093104	JJZRBKSBOAPOQN-UHFFFAOYSA-N	315.251	1.804	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNC(=O)c1ccc(OC)c(OC)c1	770748185	XTMMWKIFZYJNDF-HNNXBMFYSA-N	310.350	1.016	50	20	DDGD	
O=C(NNc1cc(Br)ccc1F)[C@@H](O)C1CC1	885147526	IGOIMICRTQVMAN-JTQLQIEISA-N	303.131	1.802	50	20	DDGD	
OC1CCN(Cc2cn(/C=C\CBr)nn2)CC1	883991906	UVOALMSTNKEVGQ-KTAJNNJTSA-N	301.188	1.100	50	20	DDGD	
CC[C@@H](NC(=O)NNc1cccc(S(C)(=O)=O)c1)C(F)F	881012535	FNHRQJJJYZOCDE-SNVBAGLBSA-N	321.349	1.760	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Cc1ccc2c(c1)NC(=O)C2	784979992	HSFWRCXHFNRPTF-UHFFFAOYSA-N	305.334	1.280	50	20	DDGD	
N#Cc1ccc(C(=O)NN=CC2=S=C([N+](=O)[O-])C=C2)cc1	782224458	KRDZSOGWDTYZDN-UHFFFAOYSA-N	300.299	1.156	50	20	DDGD	
COc1ccc(OCC(=O)NNc2ccc(OC)cn2)cc1	781527648	XGBBRJZJULUQRL-UHFFFAOYSA-N	303.318	1.621	50	20	DDGD	
COc1cccc(NNC(=O)c2cc(F)ccc2[N+](=O)[O-])n1	781024253	WBJDBNNKTUENJS-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@]1(O)CCc2ccccc2C1	785956836	XPJBEBBEBGKIPM-INIZCTEOSA-N	305.378	1.037	50	20	DDGD	
O=C(NNC(=O)c1[nH]nnc1-c1ccccc1)c1ccccc1O	788622786	AFIBTFOHZFGSAL-UHFFFAOYSA-N	323.312	1.252	50	20	DDGD	
COC(=O)c1cc(OC(=O)[C@H]2CO[C@@H](C)C2)ccc1[N+](=O)[O-]	784111004	FGLWBSGUGCZIBG-DTWKUNHWSA-N	309.274	1.712	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](CC(=O)NNc2ncnc3[nH]cnc23)CCO1	782118163	RTJGUMYZGUHYDV-QWRGUYRKSA-N	318.381	1.637	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)CC(C)(C)C)cc1O	899218943	LLXDHAOBNKEPPU-UHFFFAOYSA-N	307.394	1.440	50	20	DDGD	
C#CCN1CCC[C@@H](NC(=O)NNc2c(C)cccc2F)C1	890366936	FSMWEGKSDOYDRL-CYBMUJFWSA-N	304.369	1.858	50	20	DDGD	
C[C@@H](Oc1ccccc1)C(=O)NNc1ccc(-n2ccnc2)nn1	788179598	XXLMDMXGPXYLKX-GFCCVEGCSA-N	324.344	1.573	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCCc1ccc(OC)cc1OC	780710804	XITQWYQLZVUDOP-UHFFFAOYSA-N	323.393	1.719	50	20	DDGD	
O=C(CC[C@@H]1CCCCO1)NNc1ccc(-n2ccnc2)nn1	788175619	WSZATCUNZIYZAN-LBPRGKRZSA-N	316.365	1.455	50	20	DDGD	
Cn1cccc1[C@@H]1CCCN1S(=O)(=O)CBr	782406364	NHEMGZDFJRTHSE-JTQLQIEISA-N	307.213	1.844	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cc2ncc(C)s2)c1	781034181	AKZQTOSDGFGBEH-UHFFFAOYSA-N	305.359	1.924	50	20	DDGD	
COCCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)COC)o1	899341571	DAQDJARAJLJTSR-LCFDYFRESA-N	308.334	1.363	50	20	DDGD	
Cc1ccc2nc(COC(=O)/C(C#N)=C/C3CC3)cc(=O)n2c1	786671631	VPLACBYQVJAVJN-AWNIVKPZSA-N	309.325	1.906	50	20	DDGD	
Cn1nc(C2CC2)cc1C(=O)NNc1nc2ccccc2n1C	899096957	YLJGPZDIVWHFNO-UHFFFAOYSA-N	310.361	1.941	50	20	DDGD	
CN(C)[C@@H](C(=O)NNC(=S)NC(C)(C)C)c1ccccc1	899995323	MMUDGZURVCRXEF-GFCCVEGCSA-N	308.451	1.583	50	20	DDGD	
CC(=O)N[C@](C)(C(=O)NN=c1cc[nH]c2ccccc12)C(C)C	894425902	WDFCNZPNRNAZPE-KRWDZBQOSA-N	314.389	1.651	50	20	DDGD	
COc1ccc(C=NNC(=O)c2cc([N+](=O)[O-])ccc2O)cn1	780228414	ZWVDIORHMCBIAD-UHFFFAOYSA-N	316.273	1.468	50	20	DDGD	
C=C1CCC(C(=O)NNC(=O)c2cccc(OC)c2O)CC1	895847008	XXYFIQBEHGLFMR-UHFFFAOYSA-N	304.346	1.908	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41)c1ccccc1O	794897809	WXJUXOKQGVPIGJ-BFSVRSTQSA-N	324.380	1.547	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H](C)Sc2ccccn2)n1	794083695	LFPKXTOSRXJKJB-LLVKDONJSA-N	316.386	1.727	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cnnn1-c1cccc(F)c1	790006270	YIORRJKCOMUPNT-UHFFFAOYSA-N	317.259	1.092	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)/C=C/c2ccccc2C#N)n1	794077939	SUBJLQRKEZNGMZ-MDZDMXLPSA-N	306.325	1.736	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NN=C2C(=O)OC[C@H]2C)c1C	794879389	JYWJLXKRRAONBB-PWSUYJOCSA-N	304.346	1.736	50	20	DDGD	
CCOCC(=O)NN=Cc1c(C)nn(-c2ccccn2)c1Cl	794910399	XGZYIRZFHQDZQT-UHFFFAOYSA-N	321.768	1.716	50	20	DDGD	
COc1cc(C)c(C=NNC(=O)N2CCN(C)CC2)cc1OC	790176951	WTMICCNOUJYCQP-UHFFFAOYSA-N	320.393	1.303	50	20	DDGD	
N#Cc1ccc(NC(=O)NNc2ccc(-n3ccnc3)nn2)cc1	796654743	HJXGMFZPOJVGFT-UHFFFAOYSA-N	320.316	1.683	50	20	DDGD	
C[C@@H]1COCCC1=NNC(=O)c1cccc(S(C)(=O)=O)c1	794493760	LGPHAEOINIKHCH-SNVBAGLBSA-N	310.375	1.232	50	20	DDGD	
CCc1ccccc1OCCC(=O)NNC(=O)NCCCOC	795587407	HPPMEMVHXLBUNI-UHFFFAOYSA-N	323.393	1.385	50	20	DDGD	
Cc1cc(C(=O)NNc2ncccc2C)ccc1-n1cnnn1	791217526	UNVMSATZGPANGQ-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
CCN1CCC[C@H]1CNC(=S)NNC(=O)Nc1ccccc1	1317777054	KXZLFTXFFVTOFM-ZDUSSCGKSA-N	321.450	1.672	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNC(=O)c1cncn1-c1ccccc1	1319290627	DOAFORJQXDPBKE-MRXNPFEDSA-N	316.361	1.184	50	20	DDGD	
Cc1nnc(NNC(=O)c2ccccc2C(F)(F)F)nc1O	1318039249	NJYAIVWEMGBKQQ-UHFFFAOYSA-N	313.239	1.661	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCc1ccc(N(C)C)cc1	1318190835	LJQOOGKDXZYKRX-UHFFFAOYSA-N	306.410	1.672	50	20	DDGD	
C[S@@](=O)c1ccc(C=NNC(=O)c2ccc(O)cc2)cc1	1322324059	WAQVEHRBGQCEFJ-OAQYLSRUSA-N	302.355	1.894	50	20	DDGD	
Cc1ccccc1[C@H](NCC(=O)NNC(=O)C(C)C)C1CC1	1328001774	RIHUSCXJANUFPS-MRXNPFEDSA-N	303.406	1.839	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NNc1ccn(C)n1	1329656707	XDAITBVUWPZFJX-JTQLQIEISA-N	311.386	1.509	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)C1CCS(=O)(=O)CC1	1328431122	CGAJBUSJTATLKN-UHFFFAOYSA-N	303.771	1.003	50	20	DDGD	
Cc1nnc(O)c(CNC(=O)[C@@]2(C)C[C@H]2Br)c1C	1333254799	XKXHWGVQVVVONO-SKDRFNHKSA-N	314.183	1.589	50	20	DDGD	
C=C(C)CN(C)c1nnnn1C[C@@]1(C)C[C@@H]1Br	1334617336	RSHKBNWZAZVXNW-GXSJLCMTSA-N	300.204	1.859	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2CS[C@@H](C)C2)cc1	1261365384	NOHOAZALVSUAKD-ONGXEEELSA-N	309.391	1.533	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](C(=O)NC[C@@]2(C)C[C@H]2Br)C1	1262789715	PBDCMRFUHBXBDU-JXVAYASWSA-N	304.184	1.475	50	20	DDGD	
CCN1CCOC[C@@H]1C(=O)OC[C@]1(C)C[C@H]1Br	1348960679	FHHRBYNUANNGTB-FOGDFJRCSA-N	306.200	1.424	50	20	DDGD	
CN(C)C(=O)[C@@H]1CCCN(C(=O)[C@@]2(C)C[C@H]2Br)C1	1347346382	UPBLQSGPWSDUHG-BREBYQMCSA-N	317.227	1.487	50	20	DDGD	
C[C@H](NNC(=O)Cn1c(=O)oc2ccccc21)C(F)(F)F	1351616579	JMCGFLLYZKAGNR-ZETCQYMHSA-N	303.240	1.166	50	20	DDGD	
C[C@@H]1[C@@H](C(=O)NNc2ccc(S(C)(=O)=O)cc2)C1(F)F	1528047296	ZBXNEPSDIUEXMB-XCBNKYQSSA-N	304.318	1.434	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(C(=O)O)[nH]2)nn1	1603540262	NSRKYDYADSJCDH-UHFFFAOYSA-N	303.322	1.557	50	20	DDGD	
O=C(O)Cc1sccc1C(=O)NNC(=O)c1ccccc1F	1602158544	WPUKFDWBCCUJND-UHFFFAOYSA-N	322.317	1.589	50	20	DDGD	
O=C(NC[C@@H]1CCCCCN1)NNc1cccc(C(=O)O)c1F	1601487215	YTXVTODSFXIUCX-JTQLQIEISA-N	324.356	1.682	50	20	DDGD	
COCCn1ccc(C(=O)NNc2cccc(C(=O)O)c2C)n1	1606933128	NLIJABOKAYVPCR-UHFFFAOYSA-N	318.333	1.293	50	20	DDGD	
O=C(NC[C@H]1CCO[C@H]1C(=O)O)NNc1ccccc1Cl	1608461141	IAEVKTPRHACTKC-LDYMZIIASA-N	313.741	1.456	50	20	DDGD	
Cc1nccn1CCCC(=O)NNc1ccc(C(=O)O)cn1	1600757039	SVJNPVMWCAHEIC-UHFFFAOYSA-N	303.322	1.208	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H]2CC=C(C(=O)O)C2)cc1	1605696730	PJYMGRMSNUZRSN-LBPRGKRZSA-N	305.334	1.885	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCC(=O)Nc1ccccc1C(=O)O	1610618258	DXZUSIGHTBOXBH-XFFZJAGNSA-N	314.297	1.726	50	20	DDGD	
O=C(NN=Cc1cccc(O)c1Cl)[C@@H]1CN2CCC[C@H]2CO1	1549317567	XXFONOJGPQTZSH-AAEUAGOBSA-N	323.780	1.359	50	20	DDGD	
O=C(NN=C1CCC(C(F)F)CC1)[C@H]1CN2CCC[C@H]2CO1	1549321432	SQGXXLGFXMELDY-HEVMSJOKSA-N	315.364	1.777	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNc2ccc(C(=O)O)c(Cl)c2)CCN1C	1610394481	HKSVBOBCBFNURD-PSASIEDQSA-N	311.769	1.822	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1ccncc1	1549313727	HSJOPWYJYOCHMH-ZFWWWQNUSA-N	302.378	1.175	50	20	DDGD	
CC(C)(C)[C@@H](N)CC(=O)NNC(=O)c1cccc2ncccc12	1575113683	ZQKGJWBKABETBC-AWEZNQCLSA-N	314.389	1.759	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C2=CCCCC2)o1	1589773768	MDSCMULSMJZFQE-UHFFFAOYSA-N	317.353	1.922	50	20	DDGD	
CC(=NNC(=O)NC1CCCC1)c1ccc(-c2nn[nH]n2)cc1	1588776110	YIIJCSGDJUVRHQ-UHFFFAOYSA-N	313.365	1.833	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)nn1	1588741012	IFTPJOZVJRCWEY-VHSXEESVSA-N	306.366	1.718	50	20	DDGD	
CC1(C)C[C@@]1(C(=O)O)C(=O)NNC(=O)NCc1ccccc1	1589218850	FEJCBPMYRPELHS-HNNXBMFYSA-N	305.334	1.018	50	20	DDGD	
CCCN(NC(=O)[C@H](C(=O)O)C1CC1)C(=O)OC(C)(C)C	1589673965	YWJYGVNGDQEEND-SNVBAGLBSA-N	300.355	1.776	50	20	DDGD	
Cc1ccc(NNC(=O)c2ccc(-c3nn[nH]n3)c(C)n2)cc1	1592185434	VSLADPAKFVUNKP-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)c1ccc(-c2nn[nH]n2)nc1	1590894576	IUIUBSQECSTDLF-UHFFFAOYSA-N	323.360	1.889	50	20	DDGD	
COc1ccc(C(=O)NNc2cccc(F)c2C(=O)O)c(O)c1	1599483891	LCEMOSKYHRQZRF-UHFFFAOYSA-N	320.276	1.995	50	20	DDGD	
COC(=O)c1ccccc1C(=O)NNc1cccc(C(=O)O)c1	1599001936	DYGYVFHXEWDDTR-UHFFFAOYSA-N	314.297	1.928	50	20	DDGD	
COCCCS(=O)(=O)/C(C#N)=C\c1ccc(C(=O)O)s1	1777206984	JDMDAFFNWMWUOG-YFHOEESVSA-N	315.372	1.762	50	20	DDGD	
CC[C@H](C)Oc1ccc(NC(=O)NNC(=O)CN(C)C)cc1	158309235	VQQHYGYHZBOZFA-NSHDSACASA-N	308.382	1.578	50	20	DDGD	
COC(=O)NNC(=O)Cc1cc(Br)ccc1F	158673191	ZBQCOIVYLPNREM-UHFFFAOYSA-N	305.103	1.518	50	20	DDGD	
COC(=O)NNC(=O)Cc1cccc(OCC(F)(F)F)c1	158753787	BZRFGQUDLKWYAI-UHFFFAOYSA-N	306.240	1.557	50	20	DDGD	
Cc1cccc(CSCC(=O)NNC(=O)c2cc(C)n[nH]2)c1	152958238	IYWMQIQBSAGFTI-UHFFFAOYSA-N	318.402	1.721	50	20	DDGD	
COc1cccc([C@H](C)CC(=O)NNC(=O)c2cc(C)n[nH]2)c1	153309877	NQDZULWJQBAANB-SNVBAGLBSA-N	316.361	1.682	50	20	DDGD	
CCOc1ccc(C(=O)NNc2ncccc2[N+](=O)[O-])cn1	153525905	OKISWJCFVRYCPG-UHFFFAOYSA-N	303.278	1.540	50	20	DDGD	
COc1ccnc(NNC(=O)CCc2ccc(F)cc2F)n1	156830749	AOYMVALBRLBVTI-UHFFFAOYSA-N	308.288	1.839	50	20	DDGD	
O=C(NNc1ccncc1Cl)c1ccccc1-n1cnnn1	154852938	JZNJTVLGKZFUQQ-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
Cc1cscc1NC(=O)C(=O)NNC(=O)c1ccccc1	159488394	JYYLEWDWLKYBQQ-UHFFFAOYSA-N	303.343	1.456	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cn2ccc3ccccc32)n1	104630772	AQJKPZVIYWQWOC-UHFFFAOYSA-N	308.341	1.806	50	20	DDGD	
CC1CCC(N2C[C@H](C(=O)NNc3cnccn3)CC2=O)CC1	114881767	IIMLJQNYEXTFTO-OTTFEQOBSA-N	317.393	1.347	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNC(=O)c1ccccc1Cl	25594290	XBSPUQUZLZMROQ-UHFFFAOYSA-N	306.753	1.765	50	20	DDGD	
Cc1ncccc1C(=O)NNC(=O)NCCc1cccs1	108262041	XXXZUANKNDOSQV-UHFFFAOYSA-N	304.375	1.638	50	20	DDGD	
C[C@H]1CCC[C@@H](CNC(=O)NNC(=O)Cc2ccncc2)C1	176265610	KOPPUDLODSTPSW-GXTWGEPZSA-N	304.394	1.781	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(Cl)nc(N2CCCC2)c1	112631664	BEVKDEOEDQAEBH-UHFFFAOYSA-N	311.773	1.299	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(F)cc3[nH]cnc23)o1	176218982	NHBSTHHRJZXHOC-UHFFFAOYSA-N	302.265	1.678	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1)C1CC1	175297164	NLSWAAFVEIZPPK-SNVBAGLBSA-N	323.418	1.617	50	20	DDGD	
Cc1ccc(NNC(=O)NCCCCn2ccnc2C)nn1	173434018	VCLUMEBIOPPEOR-UHFFFAOYSA-N	303.370	1.396	50	20	DDGD	
Cc1cc(NNC(=O)Cc2cnn(-c3ccccc3)c2)ncn1	172275274	KTOJWARAPWZFBG-UHFFFAOYSA-N	308.345	1.657	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)OCC(=O)NC(C)C)c1	21748100	JESKYWRBJUYEJB-NTUHNPAUSA-N	302.330	1.670	50	20	DDGD	
O=C(NNC(=O)c1ncccc1O)c1cnn(-c2ccccc2)c1	113434588	QFWSBLKQZSHMFG-UHFFFAOYSA-N	323.312	1.048	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)CCCc2ccccc2)[nH]n1	171098872	LUIBJNZKYNPXJO-UHFFFAOYSA-N	300.362	1.756	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@H]2CCCO2)cc1	21343789	LJORCZXUOZTKRS-GFCCVEGCSA-N	309.391	1.582	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H](C)c1ccccn1	67456260	PXNWXGSRIPFJOE-NSHDSACASA-N	314.345	1.795	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1csc([N+](=O)[O-])c1	65175890	OAAOKWWZRPXBHO-UHFFFAOYSA-N	310.291	1.394	50	20	DDGD	
CN(C)N(C(=O)/C=C/c1ccccc1)[C@@H]1CCS(=O)(=O)C1	67508952	SWNCONSYOJQVRY-MYSGNRETSA-N	308.403	1.192	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@@H]1C[C@@]1(C)C(C)C	188293108	YJPZKYONRDQLPL-SJCJKPOMSA-N	319.405	1.937	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)c1ccccc1O	79113744	MLYBNAWPJBCXEZ-UHFFFAOYSA-N	310.313	1.044	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@H](C)Oc2ccccc2F)no1	78263251	PZKXBICMHVHCCD-VIFPVBQESA-N	322.296	1.742	50	20	DDGD	
CC(C)[C@H](NC1CCOCC1)C(=O)NNc1ccc(C#N)cc1	120023065	LQXYHDAHMKWBJD-INIZCTEOSA-N	316.405	1.795	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cn(C(C)(C)C)nc2C)o1	184398619	ZGALBZPKGGXOTI-UHFFFAOYSA-N	304.350	1.923	50	20	DDGD	
CNc1nnc(CC(=O)NNc2cc(F)c(F)cc2F)s1	184022892	USGYUVPKFCOWBR-UHFFFAOYSA-N	317.296	1.683	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)CNc1ccc(C)cc1C	76960391	SYCZRIQMEIBNNB-CQSZACIVSA-N	319.405	1.844	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)c1ccncc1	186387472	IMTRNPRUISHNSP-UHFFFAOYSA-N	315.289	1.765	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)COCc1ccccc1)C1CCC1	125985242	SEEBFDCJUHTEEM-LBPRGKRZSA-N	305.378	1.722	50	20	DDGD	
COc1cccc([C@@H](O)C(=O)NNc2ccc([N+](=O)[O-])cc2)c1	124251470	ICAJZSRCKFPFFH-CQSZACIVSA-N	317.301	1.780	50	20	DDGD	
Cc1cc(C(=O)NNc2ccnc(F)c2)ccc1-n1cncn1	182541702	DPBBWDDMGFMAKN-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1nc2nccc(C)n2n1	184379858	HWBVKCVHBJVTJI-UHFFFAOYSA-N	300.297	1.637	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)NC[C@@H]1C[C@H]1C	47099145	MPGXHOUOGDJSIJ-NEPJUHHUSA-N	321.377	1.451	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccnn1-c1ccccc1C	182258605	SNDYVNBKDHZBPQ-UHFFFAOYSA-N	303.322	1.963	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(C3CC3)[nH]c(=O)c2)n1	186001447	XLYWMZVBXBHQSM-UHFFFAOYSA-N	315.333	1.116	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2ccc(F)cc2)n1	181519393	XJYWIKHLROSZFY-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCc2ccccc2)c(O)c1	132652695	KBTDNGKUZKDBIA-UHFFFAOYSA-N	314.341	1.795	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccc(F)c(C#N)c1	132776695	YWWZYLBEBCXXPF-UHFFFAOYSA-N	302.269	1.645	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](C)Oc1ccc(F)c(F)c1	132042910	OWYQMYKOZZJDHI-MRVPVSSYSA-N	324.287	1.674	50	20	DDGD	
N#C/C(=C\c1cn(CC(=O)O)nn1)c1cnc2ccccc2n1	191359686	FKPMOHPXJWAMKP-BJMVGYQFSA-N	306.285	1.370	50	20	DDGD	
CCCCn1nccc1NC(=O)C(=O)NNc1ccnc(F)c1	190311982	URDIUHLKHRLMTO-UHFFFAOYSA-N	320.328	1.299	50	20	DDGD	
CCC[C@@H](CC)NC(=O)NNc1ccc(-n2cccn2)nn1	195396704	PSQUYPBJVDBZEY-LLVKDONJSA-N	303.370	1.867	50	20	DDGD	
COc1cccc(C)c1NC(=O)NNC(=O)c1cc(C)n[nH]1	195026026	LNUVYLPGTZRXIO-UHFFFAOYSA-N	303.322	1.502	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NNC(=O)C(C)(C)C	89267903	NZVRHPHARYYIFY-NSHDSACASA-N	307.398	1.950	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1cc(F)ccc1O	80022730	IZXNOLBEAQVQQH-UHFFFAOYSA-N	302.305	1.925	50	20	DDGD	
CCN(CC)CC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	143731390	IDVDZUDFEDTPHP-NSHDSACASA-N	323.462	1.976	50	20	DDGD	
CCc1ccccc1CNC(=O)NNC(=O)[C@H](C)OCCOC	267238200	XSRYFVXFEGWENH-LBPRGKRZSA-N	323.393	1.131	50	20	DDGD	
O=C(CC[C@H]1CCOC1)NNC(=O)c1ccc2c(c1)OCCO2	267528297	JIEACWYDPDCILM-NSHDSACASA-N	320.345	1.036	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNc2nc3ccccc3c(=O)n2C)O1	268116312	KFFHZGVUHUVOJF-ZWNOBZJWSA-N	316.361	1.334	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCCOCC2CC2)cc1	264518364	HKDVUSPTPJWRLD-UHFFFAOYSA-N	321.377	1.131	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNC(=O)c1ccc(C)s1	269679293	AIICGXBQIHQOCD-UHFFFAOYSA-N	313.379	1.344	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1nc(C(C)(C)C)ns1	274043116	BBCKYXMWGCUIID-UHFFFAOYSA-N	323.382	1.783	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=O)NC2CCCC2)cc1F	278188907	SYMJSUMCRQJLTH-UHFFFAOYSA-N	322.340	1.671	50	20	DDGD	
C[C@@H](C(=O)NNc1ncccc1Cl)n1nnnc1C(C)(C)C	273381663	GCGRUAXTVWOAQI-QMMMGPOBSA-N	323.788	1.723	50	20	DDGD	
CC[C@@H](NS(=O)(=O)c1ccc(CCCCl)cc1)C(=O)O	274991112	ZBYKZPPJFIUMOB-GFCCVEGCSA-N	319.810	2.000	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C(C)(C)F)cc(OC)c1OC	271041763	JAZHGVVHTGONEI-UHFFFAOYSA-N	314.313	1.222	50	20	DDGD	
C#C[C@H](C)NC(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	278026745	AVTPRBVQWGXEJZ-VHSXEESVSA-N	309.753	1.459	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H]1CCO[C@@H](C)C1	272079805	MPXNTUCQBWHGOF-JSGCOSHPSA-N	320.389	1.590	50	20	DDGD	
N#CC1=CCN(C(=O)CNC(=O)c2ccc(F)c(F)c2)CC1	271112553	MMKQNFGHPKCXOV-UHFFFAOYSA-N	305.284	1.377	50	20	DDGD	
CCCC(=O)N1CCCC[C@H]1C(=O)NNc1nccnc1OC	274123249	TUEPRVZLJREUHO-NSHDSACASA-N	321.381	1.110	50	20	DDGD	
Cc1ccc(CNC(=O)NN(C)c2ccccc2)c(=O)n1C	278739791	QVAIHQJAXKXYMC-UHFFFAOYSA-N	300.362	1.544	50	20	DDGD	
C[S@](=O)c1ccc(NC(=O)NNC(=O)C2CCC2)cc1F	272527716	DXIZTRYAWFFPIT-NRFANRHFSA-N	313.354	1.516	50	20	DDGD	
COC(=O)COc1cccc(NC(=O)NNC(=O)CC2CC2)c1	273532297	ZQMJOSXSBWTKJN-UHFFFAOYSA-N	321.333	1.191	50	20	DDGD	
Cc1cc(F)ccc1-n1ccc(C(=O)NNC(=O)C2CCC2)n1	272817923	BWAXHRCBDWCHNA-UHFFFAOYSA-N	316.336	1.881	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCS[C@@H](C)[C@@H]2C)n1	279641632	JITLTRBOJUEOCX-QWRGUYRKSA-N	308.407	1.570	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@H]1CCCC12CCOCC2	374416109	PZJNVZODDKXZGZ-AWEZNQCLSA-N	317.389	1.980	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H]1C(=O)NNc1cc(F)c(F)c(F)c1	285856950	UTZGRKLRBFBWMT-YUMQZZPRSA-N	302.252	1.746	50	20	DDGD	
CCOC1(C(=O)NNC(=O)COc2cccc(C)c2)CCCC1	284222081	JKFQOTJFXMWQEP-UHFFFAOYSA-N	320.389	1.871	50	20	DDGD	
O=C(NC[C@@H]1CCCSC1)NNC(=O)c1ccccc1O	288021756	QBTIQILBJNLFSB-JTQLQIEISA-N	309.391	1.479	50	20	DDGD	
C=C[C@@H](CC(=O)NNC(=O)N1CCN(C)CC1)c1ccccc1	282953408	QRAFTSSAXQAHAB-AWEZNQCLSA-N	316.405	1.335	50	20	DDGD	
C#Cc1cc(F)c(NC(=O)C(=O)NNC(=O)[C@H](C)CC)c(F)c1	283329722	QSXYHZUDPZXNBR-MRVPVSSYSA-N	323.299	1.078	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H]1CCCN1C1CC1	281170901	IVJQWXJRCWUPLY-AWEZNQCLSA-N	302.378	1.775	50	20	DDGD	
COC(=O)N(C)NC(=O)CCCCOc1cccc(C#N)c1	286440989	RRSHEXIZOAHPPM-UHFFFAOYSA-N	305.334	1.837	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](C)CN1CCCCC1	298706806	IGIJDOBDGBHZFE-CQSZACIVSA-N	318.421	1.813	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCc2nccnc2C)n1	296935975	PFEKGBXKPUUZLI-UHFFFAOYSA-N	301.354	1.061	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCCc1nnc(N)o1	803149453	GOIPFPBCTMWSBG-JXMROGBWSA-N	301.281	1.057	50	20	DDGD	
Cn1cncc1CC(=O)NNC(=O)Nc1ccc(Cl)cc1	802019895	ZYVNYBQJDCSHNT-UHFFFAOYSA-N	307.741	1.469	50	20	DDGD	
O=C(NC[C@H]1CCCCN1C1CC1)NNc1ncncc1F	293264752	FXPWNSHWBKUYFF-LLVKDONJSA-N	308.361	1.259	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)OCC(=O)c2ccc[nH]2)cc(C#N)n1C	809301214	FQGWWSIAOPIGEZ-MLPAPPSSSA-N	322.324	1.866	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1c(F)ccc(O)c1F	809665955	JOALMMGTXNTCTL-UHFFFAOYSA-N	307.256	1.069	50	20	DDGD	
Cc1ccc2ncc(C(=O)NNc3cccc(F)n3)c(=O)n2c1	804770426	ASGPLCFCXGHNAA-UHFFFAOYSA-N	313.292	1.294	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccn(-c3ccccc3)n2)O1	294140057	GXPIGEGDJSAHRG-FZMZJTMJSA-N	314.345	1.201	50	20	DDGD	
C[C@@H](CO[C@@H]1CCOC1)NC(=O)NNc1ncc(F)cc1F	298124304	ZMHIYEBKIPLUGP-WCBMZHEXSA-N	316.308	1.180	50	20	DDGD	
C[C@@H]1CSC[C@H]1NC(=O)NNC(=O)c1cccc(C#N)c1	805066942	DUTAPQNGPMZPRL-BXKDBHETSA-N	304.375	1.254	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)CNc1ccc(C)cc1C)C1CC1	292772299	WUFKUGARUMNNHQ-QGZVFWFLSA-N	319.405	1.678	50	20	DDGD	
O=C(NCCOC1CCCCC1)NNC(=O)c1ccccc1	298943104	HJTUKXHFQKWSFF-UHFFFAOYSA-N	305.378	1.980	50	20	DDGD	
O=C(NNc1ccncn1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2	296461307	LAMGHUCZSDBZML-CYZMBNFOSA-N	303.366	1.450	50	20	DDGD	
O=C(NCC(Cl)Cl)[C@@H]1CN(Cc2ccccc2)CCO1	294818161	XITONWARYDIPRF-LBPRGKRZSA-N	317.216	1.807	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)C2CCCC2)cc1	801112206	YQNBERGXEPJFMN-LBPRGKRZSA-N	317.389	1.907	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CC1CC1)c1cc(F)cc(C#N)c1	294137296	LJXSUIPSSQLVQF-UHFFFAOYSA-N	303.337	1.922	50	20	DDGD	
CCN(C)C(=O)c1cccc(NC(=O)NNc2cnccn2)c1	806773610	VMDWEXRQJMZXBD-UHFFFAOYSA-N	314.349	1.717	50	20	DDGD	
COCCN(C)NC(=O)C(C)(C)NC(=O)Nc1ccccc1	296938645	BNTMZOKOHYHHKE-UHFFFAOYSA-N	308.382	1.196	50	20	DDGD	
CC[C@@H](C)[C@@H](CNC(=O)NNC(=O)Cc1cccnc1)OC	296276296	HXHJNEMYEWSBTI-DGCLKSJQSA-N	308.382	1.016	50	20	DDGD	
COc1ccccc1CCC(=O)NNC(=O)[C@H]1CCCCO1	295697262	ZTPLNYSKODMFDW-CQSZACIVSA-N	306.362	1.344	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNc1ccc(Br)nc1	806847485	QCOSOTYJTJDUEX-UHFFFAOYSA-N	316.155	1.629	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H]1CC(c2cccc(F)c2)=NO1	294056208	GATOFTQBWWANGA-CYBMUJFWSA-N	305.309	1.266	50	20	DDGD	
C[C@H](NC(=O)c1ccoc1)C(=O)NN(C)C(=O)OC(C)(C)C	297767144	UBXXYKGBEFCMNJ-VIFPVBQESA-N	311.338	1.296	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)c(C)o1	292506022	SYUUCUAUYYYNSR-VIFPVBQESA-N	321.308	1.659	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCc1cccc(C(N)=O)c1	298686703	UOLZMWVLGHPMBM-UHFFFAOYSA-N	308.338	1.024	50	20	DDGD	
O=C(CSC1CC1)NNC(=O)c1ccc(Cl)cc1O	294884192	QIXJLDACIGWWGB-UHFFFAOYSA-N	300.767	1.702	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H](C)CN(C)C(C)C)n1	292352758	KIENHQRAXBLYJK-GFCCVEGCSA-N	307.398	1.063	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCC(C)(C)C(=O)O	818622495	ALQDLZVMUDUIDE-UHFFFAOYSA-N	307.350	1.440	50	20	DDGD	
COCCOCC(C)=NNC(=O)Nc1ccc2c(c1)OCO2	814991869	AFOWDFGLSFJRDQ-UHFFFAOYSA-N	309.322	1.576	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1CCC(=O)N1Cc1ccc(C)cc1	816561491	ZPECFDLAKVYGCE-HNNXBMFYSA-N	319.405	1.095	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2ccccc2C)nn1C	817385318	GHSTXNJTTFOLJA-UHFFFAOYSA-N	301.350	1.373	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCc2cn[nH]c2)c1	812520404	QADAMZIKEDRKDD-UHFFFAOYSA-N	303.322	1.065	50	20	DDGD	
CCOc1ccc(NNC(=O)C(=O)Nc2cc(C)nn2C)cc1	815815757	QDYVOBVJOMHSEE-UHFFFAOYSA-N	317.349	1.209	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CC(F)(F)F)c(C2CCC2)n1	819844205	XGSFHECNEUSHQL-UHFFFAOYSA-N	304.272	1.401	50	20	DDGD	
C=C[C@@H](O)C(=O)NNC(=O)c1ccc(OCCCC)c(OC)c1	816827783	DYNWYFNULLSPGQ-GFCCVEGCSA-N	322.361	1.182	50	20	DDGD	
COC(=O)Cc1occ(C)c1C(=O)NNc1ccc(Cl)nn1	810420061	ZNNLDESJFVWDKU-UHFFFAOYSA-N	324.724	1.504	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)CNc1cccc(OC)c1	812456184	RKHGVPFGVLTRPF-RYUDHWBXSA-N	323.393	1.173	50	20	DDGD	
O=C(Cc1cccnc1)NN=C1CCO[C@H](C(F)(F)F)C1	814837646	FUYOKDKEQAXAPF-NSHDSACASA-N	301.268	1.838	50	20	DDGD	
CC1(C)OCCC1=NNC(=O)c1csc(N2CCOCC2)n1	814752064	YEBQXFGPMSVJQH-UHFFFAOYSA-N	324.406	1.264	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](C)NC(=O)c2ccoc2)cc1	729273753	CHCQTRFNLXDKQQ-SNVBAGLBSA-N	303.318	1.550	50	20	DDGD	
COc1cc(C(=O)NN=Cc2ccn(C)n2)cc(OC)c1OC	814699018	YQWJTMJBFMHEHQ-UHFFFAOYSA-N	318.333	1.210	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1ccc(C)c(C(=O)OC)c1	816688995	OYZYRDOHJCILIH-UHFFFAOYSA-N	323.349	1.361	50	20	DDGD	
O=C(NCc1nccn1C(F)F)NNc1ncncc1F	814309835	ICNQXCMHWKYNFG-UHFFFAOYSA-N	301.232	1.034	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)c1cccc(N(C)C)c1	812445242	OCXKKBALPXWPTQ-RYUDHWBXSA-N	307.394	1.432	50	20	DDGD	
C[C@@H](Cc1ccco1)NC(=O)NNC(=O)c1cccc(C#N)c1	728944809	FECGLCKXDPBPGE-NSHDSACASA-N	312.329	1.726	50	20	DDGD	
Cc1cn2ccc(NC(=O)NNC(=O)[C@H]3CCCCO3)cc2n1	825922051	GGRPAFZHMPZVCY-GFCCVEGCSA-N	317.349	1.365	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1nc(C2CC2)cs1	726872576	NJZYMITYBSZPAE-UHFFFAOYSA-N	303.347	1.882	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1ccccc1C(F)(F)F	497255038	VWURKTCZBYAYQU-UHFFFAOYSA-N	312.269	1.597	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccnc(OCc2ccccc2)c1	823965670	RMGYZGCMIQBWCI-CYBMUJFWSA-N	315.373	1.618	50	20	DDGD	
COc1cc(C(=O)NNC(=O)N(C)C)ccc1C(F)(F)F	824627643	RNMCNIZWYRVOHS-UHFFFAOYSA-N	305.256	1.630	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCOCC3(CCCC3)C2)cn1	829824643	VVGUVNZSFGPYNR-OVCLIPMQSA-N	314.389	1.746	50	20	DDGD	
C=CC[C@@H](CC)NC(=O)NNC(=O)CNC(=O)OC(C)(C)C	496892149	NJYBHODMYNCLTP-SNVBAGLBSA-N	314.386	1.196	50	20	DDGD	
CN(C(=O)OC(C)(C)C)C(C)(C)C=NNC(=O)c1cnccn1	494573518	SCTPZOAYQXSNQS-UHFFFAOYSA-N	321.381	1.838	50	20	DDGD	
CC(=O)NC1CCC(NC(=O)NNC(=O)OC(C)(C)C)CC1	495722513	VCGQTQGQWRMTNO-UHFFFAOYSA-N	314.386	1.173	50	20	DDGD	
C#CC[C@H](CO)NC(=O)/C(C#N)=C/c1cc(C)n(CCC)c1C	820060099	UJIRYTUMHSUBFK-BRVCPTFNSA-N	313.401	1.922	50	20	DDGD	
Cc1noc(C)c1[C@H](C)NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	826002265	VNXIROZMGJKQKF-ARENWVFISA-N	310.354	1.108	50	20	DDGD	
Cc1cc(=O)n(C)cc1NC(=O)/C(C#N)=C\c1ccc(O)cc1	490909974	PHRXLPPRJMFNHH-JYRVWZFOSA-N	309.325	1.945	50	20	DDGD	
CC(C)(F)CCNC(=O)NNC(=O)COc1ccc(C#N)cc1	822094138	KLNLTICBPLCQLI-UHFFFAOYSA-N	322.340	1.406	50	20	DDGD	
C[C@H]1[C@@H](C)N(C(=O)/C(C#N)=C\c2ccc(O)cc2)CC[S@@]1=O	490663563	KEZLJLSMQPLBAX-DNHQPPINSA-N	318.398	1.667	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(CC1CCC1)CC(F)(F)F	828000225	RWKZLDHYRIKJBX-UHFFFAOYSA-N	309.332	1.454	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(CC)CC(=O)N1CCCCCC1	490936052	ACKUSRMGGLLKPW-BUHFOSPRSA-N	307.394	1.681	50	20	DDGD	
COC[C@@H]1CCCCN(C(=O)/C(C#N)=C/c2cnn(C)c2)C1	829520663	GFWPODAJSSSKPK-BKNIFWKGSA-N	302.378	1.602	50	20	DDGD	
Cc1cccc([C@H](CC(=O)NNc2cccnn2)NC(N)=O)c1	736698146	BFDWFVNZWGKBDH-LBPRGKRZSA-N	314.349	1.028	50	20	DDGD	
C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1cccc(B(O)O)c1	584968426	KWXDMKRIPJIFKF-SJCJKPOMSA-N	309.174	1.420	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(-c2cccc(OC)c2)[nH]n1	496696131	GBMRXECFQCFUFG-UHFFFAOYSA-N	304.306	1.428	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCCO1)C(=O)NN(C)C(=O)OC(C)(C)C	496189448	XOAMGPPOHOQTBR-NEPJUHHUSA-N	316.398	1.859	50	20	DDGD	
COc1ccc2cc(C(=O)NNC(=O)c3ccncc3)[nH]c2c1	906309338	REEWPBSILFBDFF-UHFFFAOYSA-N	310.313	1.646	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cn1	491085617	RFCBNOIRHUOQKS-SAIHVBEPSA-N	314.389	1.647	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc2c(c1)N[C@H](C)CC(=O)N2	905126440	PJLDBGQFSGSJQZ-SECBINFHSA-N	304.350	1.246	50	20	DDGD	
O=C(c1ccc(SC(F)F)cc1)N1CC[C@@H](B(O)O)C1	585068712	GCTXWAMASOSLEZ-SECBINFHSA-N	301.123	1.690	50	20	DDGD	
COCCOCCCCNC(=O)[C@@]1(C)C[C@@H]1Br	906485229	MLURPUXAEXESEL-JQWIXIFHSA-N	308.216	1.719	50	20	DDGD	
O=C(NCc1cccc([N+](=O)[O-])c1)NNc1ccc(F)cn1	731361413	IVGSVJPNCXUBKO-UHFFFAOYSA-N	305.269	1.955	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)/C=C/[C@@H]2CCOC2)c1	493449157	GAZLDZLQXYHORR-VBROQKIQSA-N	318.373	1.422	50	20	DDGD	
Cc1noc(CNC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)n1	490636440	BFORVHNKLOIRCD-QCDXTXTGSA-N	310.317	1.120	50	20	DDGD	
CC1(C)C(=NNC(=O)NCC(=O)O)C[C@@H]1OCc1ccccc1	833554692	GJHBDYJSXPFYSJ-ZDUSSCGKSA-N	319.361	1.742	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2[nH]c3ccccc3c2Cl)cn1	735471059	LDVIALUOJYMRMA-UHFFFAOYSA-N	317.736	1.630	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@H](C)C[C@@H](C)N)c(F)c1	831224069	WBIOOJVZTRORCX-RKDXNWHRSA-N	312.345	1.364	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2	732304076	RAMPTDNQFFNYAY-SDDRHHMPSA-N	308.403	1.969	50	20	DDGD	
O=C(CCn1ccccc1=O)NNc1nccc2sccc12	734249895	LWKDBAHHSOVKGD-UHFFFAOYSA-N	314.370	1.991	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)c2cnccn2)cc1	905122933	BRUBBYDEARZZCZ-LBPRGKRZSA-N	314.345	1.115	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C[C@@H]2CCCC(=O)N2)ccc1F	837037405	IPINJQBCBDFKJW-VIFPVBQESA-N	323.324	1.114	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H]2CCC[C@@H](C(=O)O)C2)cc1	737255298	AGPRWNSMKIKSMY-UONOGXRCSA-N	318.373	1.901	50	20	DDGD	
C=C[C@@H]1OCCC[C@H]1NC(=O)NNc1nc(C)cc(OC)n1	836615744	RNUAEXLGNHCFOF-MNOVXSKESA-N	307.354	1.153	50	20	DDGD	
COCC1(CNC(=O)NNC(=O)c2ccccc2O)CCCC1	838724371	VDAVEIBUOLCDSF-UHFFFAOYSA-N	321.377	1.543	50	20	DDGD	
CC(C)CC1(CNC(=O)c2cc(B(O)O)ccc2F)CCC1	584959122	XXISFZKQARUXHE-UHFFFAOYSA-N	307.174	1.452	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1cc2ccccc2s1	901867708	TUCBKTPHFIUWCU-UHFFFAOYSA-N	313.404	1.804	50	20	DDGD	
COC[C@H](C)CNC(=O)NNc1cccc(C(=O)OC)c1F	838484148	XEJNFVFEYLTXMC-SECBINFHSA-N	313.329	1.521	50	20	DDGD	
C[C@@]1(C(=O)NCCCNc2ncccn2)C[C@@H]1Br	906447983	JGDCJSBLPMDJKC-JOYOIKCWSA-N	313.199	1.568	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)c2cc(Cl)ccc2Cl)N1	906552829	NAOQGMARLPDHPX-SECBINFHSA-N	316.144	1.033	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2CCCc3nn[nH]c32)cc1Cl	832114584	IQVFFQXRNQWTNL-SNVBAGLBSA-N	316.752	1.893	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NNc1ccc(F)cn1	731358422	SPNUGJNCEQUZTE-UHFFFAOYSA-N	303.297	1.500	50	20	DDGD	
COC[C@H]1CCCCN1CC(=O)NNC(=O)c1cccc(C)c1	832615791	DLFGICCWICSWMF-OAHLLOKOSA-N	319.405	1.257	50	20	DDGD	
Cc1ccc(C(=O)O)cc1NC(=O)NNC(=O)c1cccnc1	738535740	PFYFQPIPOJTXBG-UHFFFAOYSA-N	314.301	1.555	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2	730034256	FSMOOIKMSVWLKV-FPMFFAJLSA-N	302.374	1.908	50	20	DDGD	
C[C@]1(C(=O)N[C@H]2CCN(CC(F)F)C2)C[C@@H]1Br	910942022	RFSJRVBICFBMNG-LAEOZQHASA-N	311.170	1.616	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)Cc1sccc1Br	910145237	RMMDUANDUQJLST-SSDOTTSWSA-N	307.213	1.397	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)C(C)(C)c1ccccc1)N(C)C	836291336	YRBWATVQMNCBEO-LBPRGKRZSA-N	306.410	1.245	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2nc(C)n3ccccc23)c(O)c1	741279140	PIMNZVKSBZXGAG-UHFFFAOYSA-N	324.340	1.732	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2ncccc2C)c1	749864789	RPEOKOWSDGWNSF-UHFFFAOYSA-N	313.357	1.847	50	20	DDGD	
Cc1csc(CC(=O)NNC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)n1	747765837	FLPZQEHCEPAVTM-DCAQKATOSA-N	324.475	1.678	50	20	DDGD	
O=C(NN=C1CCCC[C@@H]1N1CCCCC1)C(=O)N1CCCC1	748787107	ZUAKWBAQLOWFRC-HNNXBMFYSA-N	320.437	1.510	50	20	DDGD	
CCCC[C@@H](CN)NC(=O)NNC(=O)c1cccc(Cl)c1	841958041	CXPBFDMBUJFPOG-LBPRGKRZSA-N	312.801	1.802	50	20	DDGD	
CSCCNC(=S)NNC(=O)Cc1cnccc1Cl	847644512	ODXYZQGICBAJBV-UHFFFAOYSA-N	318.855	1.136	50	20	DDGD	
O=C(Cc1nc2ncccn2n1)NNc1cc(F)c(F)c(F)c1	748811409	AHKDZLAKYNCUHN-UHFFFAOYSA-N	322.250	1.227	50	20	DDGD	
CNC(=O)NNC(=O)[C@H](OC)c1ccccc1Br	847383107	ATEPONZYRKMEIG-SECBINFHSA-N	316.155	1.097	50	20	DDGD	
CCC(CC)[C@H](C)C(=O)NNc1ccccc1S(N)(=O)=O	842261327	JNIMVMRRSYXWPJ-JTQLQIEISA-N	313.423	1.849	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)CC[C@]1(C)CCC(=O)N1	846641943	WLGKLPXBQSFEIQ-HNNXBMFYSA-N	309.341	1.726	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1CCC[C@H](SCC)C1	748969112	YKNANNDUNCVCLO-MNOVXSKESA-N	303.428	1.418	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)NCc2ccon2)c1	747594935	XUOZCUPXRGAGMA-UHFFFAOYSA-N	318.333	1.201	50	20	DDGD	
CC(C)(C)N1C[C@H](C(=O)NNC(=O)c2ccccc2F)CC1=O	914709203	QCQRYVBKWJSXBY-SNVBAGLBSA-N	321.352	1.234	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2	910180809	OEYIXSDJMZDMNT-IUCAKERBSA-N	309.391	1.077	50	20	DDGD	
COC1([C@H](C)NC(=O)NNC(=O)Cc2ccc(F)cc2)CCC1	840453517	PUKIKXKTXHLIEK-NSHDSACASA-N	323.368	1.656	50	20	DDGD	
Cc1nc(SCC(=O)NN(C)C[C@H](C)O)c(C#N)c(C)c1C	910177479	MKSINLGEJYUKCV-VIFPVBQESA-N	322.434	1.314	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)[C@H](F)C(F)(F)F	848322309	WXKIBCYEOHVKRT-BYPYZUCNSA-N	317.040	1.583	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)c2cncnc2C)c(OC)c1	848405314	GNMRNRKRXXCPMJ-UHFFFAOYSA-N	314.345	1.956	50	20	DDGD	
CC1(C)CC[C@H]1NCC(=O)NNC(=O)c1ccccc1Cl	846961529	SPEQWVKGYAAPDT-GFCCVEGCSA-N	309.797	1.879	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(Br)ccc1F	910179558	YZBGRGDYPGKLOE-ZETCQYMHSA-N	305.147	1.546	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1(Cc2ccccc2F)CC1	843655387	JHTJGZWPGNBCTD-YPMHNXCESA-N	320.364	1.721	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1ccc([N+](=O)[O-])cc1	916363599	WDOVZTWIPABJFP-GFCCVEGCSA-N	320.349	1.013	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)c(Cl)c1	844582690	MJPNENJELTVCEP-SECBINFHSA-N	317.798	1.036	50	20	DDGD	
CCc1noc(CCCC(=O)NNc2nc(C)cc(OC)n2)n1	746625686	PXPIZTIFUDHIEC-UHFFFAOYSA-N	320.353	1.205	50	20	DDGD	
O=C(NNC(=O)C1(c2cccc(Cl)c2)CCOCC1)C1CC1	919677959	IQKQUFYLDSUMNB-UHFFFAOYSA-N	322.792	1.946	50	20	DDGD	
COCCn1cc(C=NNC(=O)C(C)(C)c2ccccc2)cn1	743441720	MFYISAJTCHDPRZ-UHFFFAOYSA-N	314.389	1.957	50	20	DDGD	
CCCNC(=O)COC(=O)/C(C#N)=C\c1cccc(OC)c1	849204249	UJXCFRKBOXKEOE-JYRVWZFOSA-N	302.330	1.672	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@@H]2CCSC2)c1	843871070	VYALXHBGKVYUMW-SNVBAGLBSA-N	308.407	1.976	50	20	DDGD	
Cn1nc(C2CC2)cc1CNC(=O)NNc1ncc(Cl)cn1	927600896	KCIADMLMLSQIHH-UHFFFAOYSA-N	321.772	1.567	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC[C@@H]1CCCNC1)c1ccccc1	841924154	VDWLHDNWJMRBCY-HIFRSBDPSA-N	318.421	1.510	50	20	DDGD	
CCC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)c1ccn(C)n1	758088643	OWTPVINKOZTXFW-UHFFFAOYSA-N	316.321	1.455	50	20	DDGD	
O=C(NCC1(Cc2ccccc2)CC1)NNC(=O)c1cn[nH]c1	858307206	DHWSLCZTZHWQLG-UHFFFAOYSA-N	313.361	1.377	50	20	DDGD	
O=C1C[C@H](CC(=O)OC[C@H](CBr)C2CC2)CO1	859597255	GUQKGKNGZPPGSC-SCZZXKLOSA-N	305.168	1.904	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@@H]1CCOc2ccccc21	855091637	XWXJOKXSCDPSAA-CYBMUJFWSA-N	319.430	1.848	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)C(C)(C)C)c1cn(C)c(C)n1	853408037	IESCKZCYIUBYOC-UHFFFAOYSA-N	321.425	1.511	50	20	DDGD	
Cc1cc(NNC(=O)N[C@H]2CCC(=O)N(C)C2=O)ccc1Cl	922963310	QZVNAMQHUHKLPU-NSHDSACASA-N	324.768	1.422	50	20	DDGD	
COc1ccccc1-c1cccc(NC(=O)NNC(=O)CO)c1	756513378	HUTBDCLVRCSOMW-UHFFFAOYSA-N	315.329	1.507	50	20	DDGD	
CC[C@@H](C)c1nc(C)c(CC(=O)NNc2cnnn2C)c(C)n1	857270366	ZPCNIMHMVVFLKJ-SECBINFHSA-N	317.397	1.421	50	20	DDGD	
O=C(COC(=O)[C@@H]1C[C@H]1C1CC1)NNC(=O)c1ccccc1	751749717	ZXKHUIDEGMSAQB-QWHCGFSZSA-N	302.330	1.037	50	20	DDGD	
Cc1ccc(NNC(=O)NCCS(=O)(=O)C2CC2)cc1F	854172601	DACNPBQFGJDXBX-UHFFFAOYSA-N	315.370	1.337	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc2C1)OCC(F)(F)F	856025672	ZZBJTGPMTGCZPU-VIFPVBQESA-N	318.251	1.557	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2ccc(F)cc2Cl)CCC(=O)N1	922804933	HJTQAFZJCKCIPR-ZDUSSCGKSA-N	314.748	1.774	50	20	DDGD	
CSc1cc(C(=O)NNC(=S)N[C@@H](C)C2CC2)ccn1	855102185	HNTWCBKKVFAIBP-QMMMGPOBSA-N	310.448	1.711	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(OCC(F)F)cc1	756873823	KZSNRFCAGNRIDY-UHFFFAOYSA-N	303.265	1.130	50	20	DDGD	
COc1ccccc1[C@H](C)CC(=O)NNC(=O)c1cc[nH]n1	855358425	JMZIREMFOOGBHE-SNVBAGLBSA-N	302.334	1.373	50	20	DDGD	
O=C(NN=Cc1cccc2[nH]ccc12)[C@@H]1CCS(=O)(=O)C1	755622597	YVOIOPABJIIJEX-LLVKDONJSA-N	305.359	1.053	50	20	DDGD	
Cn1nnc2cc(/C=C(/C#N)C(=O)Nc3nccs3)ccc21	751033733	TWXDYEGFYNRNHL-POHAHGRESA-N	310.342	1.970	50	20	DDGD	
C[C@@H](C(=O)NNc1ncc(Cl)cn1)n1nnnc1C(C)(C)C	857357494	UBOKEJYNKOYSGP-ZETCQYMHSA-N	324.776	1.118	50	20	DDGD	
CCC(=NNC(=O)COCc1ccccc1)c1nccn1C	755734862	ZCZKUGRYMPMOFT-UHFFFAOYSA-N	300.362	1.867	50	20	DDGD	
C[C@]1(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H]1Br	857387418	HVTKJOQCXWOVFI-IMTBSYHQSA-N	303.116	1.221	50	20	DDGD	
CC(C)(C)N1CC[C@H](NC(=O)NNc2nc3ccccn3n2)C1	854315514	WWRZGSBITRPHOE-NSHDSACASA-N	317.397	1.228	50	20	DDGD	
CCNC(=O)NN=Cc1ccc(OC(=O)C2CC2)c(OC)c1	920827204	HLTXHWLMAGSEIC-UHFFFAOYSA-N	305.334	1.664	50	20	DDGD	
O=C(NCC[C@@H]1C[C@H]2C=C[C@H]1C2)NNC(=O)c1cccc(F)n1	852401654	WQYXUSFZGBOIKF-SDDRHHMPSA-N	318.352	1.767	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)NCCc2cccs2)O1	756922540	SKKFNFMXAMQASS-CMPLNLGQSA-N	311.407	1.579	50	20	DDGD	
CO[C@@](C)(CNC(=O)NNC(=O)c1cc(C)cs1)C1CC1	858478541	UFNPIQVCUWTHEH-AWEZNQCLSA-N	311.407	1.816	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12	853876482	NYKOMTFYZIHSIN-LDDIKCJXSA-N	304.325	1.209	50	20	DDGD	
Cc1ccc(CC(=O)NNc2cnnn2C)cc1Br	857272506	CENXTYHEHPNWQD-UHFFFAOYSA-N	324.182	1.572	50	20	DDGD	
CC1CC(CNC(=O)NNC(=O)COCc2ccccc2)C1	856834697	HBJSBZYLIFUMIA-UHFFFAOYSA-N	305.378	1.580	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H](C)c2cnn(C)c2)ccc1C	857267650	LXYILDHYZRQIQM-NSHDSACASA-N	316.361	1.762	50	20	DDGD	
CCn1nccc1C=NNC(=O)Cc1nc2ccccc2n1C	753690318	UGQJQYITNUOJCB-UHFFFAOYSA-N	310.361	1.483	50	20	DDGD	
CCc1cc(C(=O)OC)ccc1NC(=O)NN(C)CCOC	932807910	CHEVCFMUCXVHHS-UHFFFAOYSA-N	309.366	1.650	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)COc1ccccc1O)C1CC1	852595647	IXABWQURMVQGAG-LLVKDONJSA-N	307.350	1.290	50	20	DDGD	
O=C(OC[C@@H](CBr)C1CC1)C1(O)CCOCC1	859544976	JDBWEGJCKSNYGQ-SNVBAGLBSA-N	307.184	1.492	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2ccccc2O1)OCC(F)(F)F	856025853	CICLIHDDPZCBRL-JTQLQIEISA-N	318.251	1.700	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc2c(c1)CCO2	854279990	MQXWYMKCQCIZMP-UHFFFAOYSA-N	323.418	1.109	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1	862525762	VHABIJLLQVDZGR-OAHLLOKOSA-N	324.384	1.882	50	20	DDGD	
CO[C@@](C)(C(=O)NNc1cccc(C)n1)C(=O)OC(C)(C)C	862518327	PTESDXOJKPFZJS-HNNXBMFYSA-N	309.366	1.580	50	20	DDGD	
COC/C=C\C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	864517884	NYIWHUJCZNQETO-UMBAGQNISA-N	308.403	1.837	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccc2nc(O)[nH]c2c1	768491891	JJSXTPYJDBFBGO-UHFFFAOYSA-N	308.301	1.902	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNc2ncnc3ccsc23)n1	866728719	BROGIMGMFCJEQY-VIFPVBQESA-N	316.390	1.976	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1ccc2c(cnn2C(C)C)c1	768495837	GPCGEGVQHQREGT-UHFFFAOYSA-N	310.379	1.337	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)Cc2cc(C)[nH]n2)cc1F	767409555	HIWPWQDLXSTDFY-UHFFFAOYSA-N	304.325	1.949	50	20	DDGD	
N#C/C(=C\c1cn(C[C@@H]2CCCO2)nn1)C(=O)[C@H]1CCCOC1	865223705	KYFDHIFWUHAUKQ-KJNXOPIYSA-N	316.361	1.360	50	20	DDGD	
Cn1cc([N+](=O)[O-])cc1C(=O)NNCC(F)(F)C(F)(F)F	863091607	MEPIIDIIGAXTSA-UHFFFAOYSA-N	316.186	1.365	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C2(C(C)C)COC2)cc1	936035143	AOKOZERCMVTJNE-UHFFFAOYSA-N	320.389	1.448	50	20	DDGD	
C[C@@H](NNC(=O)Cc1cccc(OCC#N)c1)C(F)(F)F	862316230	NBICWJMJPWUGMU-SECBINFHSA-N	301.268	1.703	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1	763822222	ZQBXQEDCBGYFGS-UHFFFAOYSA-N	317.267	1.447	50	20	DDGD	
Cc1cccc(CO[C@H](C)C(=O)NNC(=O)CC(F)(F)F)c1	869021353	SXZIAMYKWGETQC-SNVBAGLBSA-N	318.295	2.000	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)n1	862524479	LTQXVYDRKYWFLA-HZMBPMFUSA-N	306.391	1.287	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)c1cccc(F)n1	763464254	VODIKDDEHBPHGU-UHFFFAOYSA-N	313.292	1.032	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1CC(c2ccccc2)=NO1)C(F)(F)F	862309506	LUNGEYAXFHENNZ-KWQFWETISA-N	301.268	1.751	50	20	DDGD	
COCCOc1ccc(C(=O)NN[C@@H](C)C(F)(F)F)cc1	862313456	HPPILGACNOKGPL-VIFPVBQESA-N	306.284	1.897	50	20	DDGD	
O=C1NCCC[C@H]1C(=O)NNc1ccc(Cl)cc1Cl	866865408	OBECYYDFZBDELT-MRVPVSSYSA-N	302.161	1.963	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C\c1cn(C[C@H]2CCCO2)nn1	865215766	XZHKGAUTBCBQFR-ICDLMJIXSA-N	303.366	1.280	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NN[C@@H](C)C(F)(F)F)nc1	862320008	DALMQVPRNJLGSU-ZETCQYMHSA-N	305.256	1.444	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C\c1cn(C[C@@H]2CCCO2)nn1	865215767	XZHKGAUTBCBQFR-UNJUUPHPSA-N	303.366	1.280	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(N(C)C)c(F)c1	764482276	QZXCCPVVJFZRQJ-UHFFFAOYSA-N	305.313	1.447	50	20	DDGD	
C[C@H](O)C[C@@H]1COCCN1C(=O)[C@@H](Br)C(C)(C)C	768553438	NZYIIXHSBYXOIB-HBNTYKKESA-N	322.243	1.794	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C1C[C@H]2CCCc3cccc1c32	863187466	MJCSBUXPGWWVEG-LLVKDONJSA-N	306.387	1.375	50	20	DDGD	
CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)C(C)C)cc1	763817386	JAVLNVFRIFIVCU-UHFFFAOYSA-N	307.350	1.216	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)O)CCC1=NNC(=O)c1n[nH]c2c1CCCC2	1117704584	YEBHNEBDZOITPG-NXEZZACHSA-N	318.377	1.895	50	20	DDGD	
Cc1ccn2c(CN3CCN(C(=O)CCl)CC3)c(C)nc2c1	1116437491	FCIWEGCRBJPZPW-UHFFFAOYSA-N	320.824	1.834	50	20	DDGD	
COCCOCC(=O)NN=C(Cc1cccc(OC)c1)C1CC1	872401755	ICYJCJDFZHQTGU-UHFFFAOYSA-N	320.389	1.783	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)n1	875243152	RRZDFNCHDBNLLO-QWHCGFSZSA-N	307.398	1.125	50	20	DDGD	
CCn1c(NNC(=O)[C@@H](OC)C(C)C)nc2ccccc2c1=O	771123053	JHAYTMZTVGNYND-ZDUSSCGKSA-N	318.377	1.531	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccc2nc(O)[nH]c2c1	772874969	JOJYYWKIBOYCLK-UHFFFAOYSA-N	312.333	1.939	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1	771915230	RSMIRUMORLGCPC-TVYUQYBPSA-N	322.336	1.418	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(N(C(C)=O)C2CC2)cc1	879675922	AEMIKQKUJMLWPU-UHFFFAOYSA-N	320.349	1.937	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNC(=O)c1nc2ccccc2s1	874914497	YTWGXGDMHJFIGJ-AWEZNQCLSA-N	307.375	1.608	50	20	DDGD	
CO[C@@H](C(=O)NNc1ccnc(Br)c1)C(C)C	771552806	YBCNXMZTKOJFOD-SNVBAGLBSA-N	302.172	1.958	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C	875574459	NYVNBPVCVPLRTO-JSGCOSHPSA-N	322.409	1.899	50	20	DDGD	
Cc1cccc(NNC(=O)NCC[C@]2(O)C[C@H]3CC[C@H]2C3)n1	875614555	YDODURCWFUKUPE-XEZPLFJOSA-N	304.394	1.957	50	20	DDGD	
CC(C)(C)OCc1cc(C(=O)NNC(=O)NCC2CC2)no1	770222249	ICAGLSGODJEDTA-UHFFFAOYSA-N	310.354	1.344	50	20	DDGD	
O=C(NN=Cc1cc2c([nH]1)CCCC2)C(=O)Nc1ccccn1	872357222	WDQBSZLUCWTXIA-UHFFFAOYSA-N	311.345	1.377	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCc1ccc(C)cc1C	771971138	NIWNYYMOQRCSCB-CYBMUJFWSA-N	320.389	1.725	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1COc2cc(OC)ccc2C1	887143390	XGNDTXRRAKKWNQ-ZDUSSCGKSA-N	316.357	1.197	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)C(=O)NN=Cc1ccncc1	771560045	AXYIOEDNSQDZCZ-UHFFFAOYSA-N	316.748	1.502	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2nccs2)c1	770133391	FGQZSTWFSRDEQM-UHFFFAOYSA-N	306.347	1.025	50	20	DDGD	
O=S(=O)(CCCCl)N1CC[C@H](C(F)(F)F)[C@H](CO)C1	882189727	RQKIWACENMJTPC-IUCAKERBSA-N	323.764	1.438	50	20	DDGD	
CN1C[C@@H](NC(=O)CCCC[C@H]2CCSS2)C(=O)N1	777771244	GFKDJCHDKNKIPV-VHSXEESVSA-N	303.453	1.162	50	20	DDGD	
O=C(NNC(=O)C1(O)CCOCC1)c1ccc2ccccc2c1	772236325	LWOZBQHXGYXRHL-UHFFFAOYSA-N	314.341	1.142	50	20	DDGD	
CC(=O)N[C@@H](C)C(=O)NNc1cc(Br)ccc1F	885146495	ZWRSYFHGINEVDA-LURJTMIESA-N	318.146	1.556	50	20	DDGD	
COc1nc(C)ccc1C(=O)NNC(=O)NCc1ccco1	777372716	WYGRXCMKXXGWSO-UHFFFAOYSA-N	304.306	1.136	50	20	DDGD	
CSCC[C@H](NC(N)=O)C(=O)NNc1cc(F)ccc1F	885140055	PCQQJXYBCVNZMO-VIFPVBQESA-N	318.349	1.198	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)COc1ccc(C#N)cc1	772891894	VORVVKVOHGYAKR-UHFFFAOYSA-N	311.345	1.994	50	20	DDGD	
CCCC[C@@H](NC(N)=O)C(=O)NNc1c(F)cc(F)cc1F	885150715	HIZGLIIFZXHDEW-SNVBAGLBSA-N	318.299	1.774	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC(=O)c2cccn21)NC1CCCC1	788742470	ONYGRKZPHIPREK-GFCCVEGCSA-N	304.350	1.279	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1cccc(Cl)n1)C(F)F	881014107	DODJBPQVSODMLC-ZCFIWIBFSA-N	306.700	1.723	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2	780712151	SPOVNJLNNUHRLT-UHFFFAOYSA-N	304.350	1.222	50	20	DDGD	
COc1ccc(NNC(=O)COCCOc2ccccc2)nc1	781530245	NKSBGVJUZXXUCW-UHFFFAOYSA-N	317.345	1.629	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1c(C)nc(C2CC2)nc1S	887144729	XPGLJFUOVHXJJD-UHFFFAOYSA-N	318.402	1.516	50	20	DDGD	
COCC(=O)NN=C1CCc2[nH]c3ccc(OC)cc3c2C1	782228810	MYNKVFSZDNXUEH-UHFFFAOYSA-N	301.346	1.784	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(Cn3cccn3)o2)nc1	781516888	YQLRHJKVCDRKSU-UHFFFAOYSA-N	313.317	1.685	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)Cn2ccc3ccccc32)CO1	784091989	SVROXNXLHIGMEV-YPMHNXCESA-N	301.346	1.214	50	20	DDGD	
Cc1cnc2c(C(=O)NC[C@]3(C)C[C@@H]3Br)cnn2c1	899041332	HWSFXFBBTUNVGM-GWCFXTLKSA-N	323.194	1.941	50	20	DDGD	
C#CCCCC(=O)NNC(=S)NCCc1ccc(OC)cc1	899620644	OTHRQHLGFKNZNI-UHFFFAOYSA-N	319.430	1.537	50	20	DDGD	
Cn1ccc(N2CCC[C@H](OC(=O)/C(C#N)=C/C3CC3)C2=O)n1	786677990	MKXHIFSEHIVAJF-SRXBQZRASA-N	314.345	1.319	50	20	DDGD	
C[C@@H](OC[C@H]1CCCCO1)C(=O)NNc1ncncc1Cl	781826550	XSIAFHWHIJCSFD-NXEZZACHSA-N	314.773	1.547	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(F)(F)c1ccccc1OCC	780708283	DQHTWIXAJSXHMX-UHFFFAOYSA-N	315.320	1.870	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CCc1ccccc1O)C(F)F	792641397	JOMXNPYRYIAQQB-UHFFFAOYSA-N	300.305	1.764	50	20	DDGD	
CC(C)(C(=O)NNc1cccc(S(C)(=O)=O)c1)C(F)F	792299199	BVDPXNCBEMJESV-UHFFFAOYSA-N	306.334	1.825	50	20	DDGD	
CC[C@@H]1CC[C@H](C)CC1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	797401673	LKRGRVILKCTCCV-QJPTWQEYSA-N	315.439	1.675	50	20	DDGD	
Cc1cccc(C(=O)NN=C2CCCC[C@H]2S(C)(=O)=O)n1	794572067	PFSZTRRIPFFIJY-CYBMUJFWSA-N	309.391	1.463	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCCc3cc(O)ccc32)CC1	790182512	WTENCAORXXARLQ-UHFFFAOYSA-N	302.378	1.390	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CC2(OC)CCC2)cc1OC	790110598	IBVJGDMPKHNBKV-UHFFFAOYSA-N	322.361	1.424	50	20	DDGD	
COC(=O)[C@H]1CC[C@H](C(=O)NN=c2cc[nH]cc2Cl)CC1	797988257	UQWMMWHJLCYFBN-MGCOHNPYSA-N	311.769	1.579	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cc2ncccc2F)nc1	792278160	UHTACSIMPLYAFE-UHFFFAOYSA-N	304.281	1.088	50	20	DDGD	
N#C/C(=C\c1cc(O)ccc1Br)S(N)(=O)=O	799894053	MOGBKMYGZDPHMA-XBXARRHUSA-N	303.137	1.308	50	20	DDGD	
Cc1ccc(NNC(=O)c2ccc(-c3nn[nH]n3)cn2)cc1F	1301454673	FIBCGOCRGDNYHX-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
CS(=O)(=O)C1CCN(C[C@H](CBr)C2CC2)CC1	701844888	JOKJMWAUFWAAGC-NSHDSACASA-N	324.284	1.917	50	20	DDGD	
CC(C)c1cc(NC(=O)C(=O)NNc2cncc(Cl)n2)no1	1326033560	YPGZRLLTELOGEV-UHFFFAOYSA-N	324.728	1.323	50	20	DDGD	
O=C(Cc1c(Cl)cccc1Cl)N1CC[C@H](B(O)O)C1	585070925	ILEUUJISPHOXMG-QMMMGPOBSA-N	301.966	1.611	50	20	DDGD	
C[C@@H]1CCN(C(=O)C(=O)NC[C@]2(C)C[C@@H]2Br)[C@@H]1C	1328967423	IVLYVODXZJILIF-DNJQJEMRSA-N	317.227	1.533	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cccnc1N(C)C	1323312203	RQVACXJMKIIXBK-UHFFFAOYSA-N	304.379	1.259	50	20	DDGD	
CCCN(CC)C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1328963668	OZDRJVYKHYPISD-BXKDBHETSA-N	305.216	1.535	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)[C@@H]1OC[C@@H]2COCC[C@@H]21	1339117956	TXDVVVITIFMTDT-OUJBWJOFSA-N	302.334	1.058	50	20	DDGD	
Cc1ccc(O)c2c1[C@@H](C)CC2=NNC(=O)[C@@H]1CCC(=O)N1	1331723883	ZWAYYBUDYILTER-UWVGGRQHSA-N	301.346	1.307	50	20	DDGD	
COCCn1cc(C(=O)OC[C@@]2(C)C[C@H]2Br)nn1	1345220235	PPFJLYTUFURRSO-MWLCHTKSSA-N	318.171	1.255	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H]1CC[C@H]2C[C@@H](C)CN2C1	1527391831	XWKITBCAFHOXFC-YUELXQCFSA-N	315.417	1.876	50	20	DDGD	
O=C1CCN(C/C(=C/c2cnn(CCCl)c2)C(=O)O)CC1	1602646543	KMLCJMLMZUBWCN-GHXNOFRVSA-N	311.769	1.255	50	20	DDGD	
Cc1ccc(CC(=O)NNc2cccc(C(=O)O)c2F)cn1	1600400110	QJVKMYQLDULSOR-UHFFFAOYSA-N	303.293	1.913	50	20	DDGD	
CN(NC(=O)CCc1ccc(-c2nn[nH]n2)cc1)c1ccccn1	1604827007	SAZXBFZIIKXBAR-UHFFFAOYSA-N	323.360	1.362	50	20	DDGD	
O=C(O)[C@@H]1CC[C@@H](c2ccccc2)N1S(=O)(=O)CCl	1602174532	MZECPCUEEKMKSN-QWRGUYRKSA-N	303.767	1.803	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)c1cc(C(=O)O)on1	1601559234	OOIOMHJSBOWADT-UHFFFAOYSA-N	310.197	1.177	50	20	DDGD	
CCCCS(=O)(=O)/C(C#N)=C/c1c(C(=O)O)nn(C)c1C	1605287629	SCXWXTZIJSKUBW-JXMROGBWSA-N	311.363	1.506	50	20	DDGD	
CC[C@@]1(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)CCNC1=O	1605134713	CPVCMYWMUHSMKK-CQSZACIVSA-N	322.273	1.115	50	20	DDGD	
COC1([C@H](C)NC(=O)NNc2cccc(C(=O)O)c2)CCC1	1606708470	KTPDHMGMYAHSSY-JTQLQIEISA-N	307.350	1.969	50	20	DDGD	
O=C(CCOC[C@@H]1CCCO1)NNc1ccccc1C(=O)O	1610658256	VALJRFLDEYECJE-NSHDSACASA-N	308.334	1.414	50	20	DDGD	
CCOC1CC(=NNC(=O)[C@H]2CCCO[C@H]2c2nccn2C)C1	1549308770	DMNMTMVLSRYBRM-KFTPUPIBSA-N	320.393	1.559	50	20	DDGD	
CCOC1CC(=NNC(=O)[C@H]2CCCO[C@@H]2c2ccnn2C)C1	1549315306	MKBBVGKADUDYFI-MHEXWIEDSA-N	320.393	1.559	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C[C@@H]1CCCO[C@@H]1c1nccn1C	1552448593	CVTUMOYLUAPXRR-AAEUAGOBSA-N	316.365	1.335	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@@H]1C=NNC(=O)[C@H]1CCOC1	1552762898	NPQSVOSTPWGANX-FRRDWIJNSA-N	306.366	1.119	50	20	DDGD	
C=CC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)C1CCNCC1	1574900059	NZSSIDPQVVSBNB-TZMCWYRMSA-N	308.426	1.451	50	20	DDGD	
CC(C)(CN)C(=O)NNC(=S)Nc1cccc(Cl)c1	1575307507	GKPPJTMZWWBEHQ-UHFFFAOYSA-N	300.815	1.643	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H]2CCCNCC2)cc1	1579228397	GAQSNXZUZVXNQX-NSHDSACASA-N	306.366	1.238	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CC(C(=O)O)C2)c1C	1589694537	HXZXRHSNYKVLDT-AUWJEWJLSA-N	315.373	1.965	50	20	DDGD	
COCCCC(=O)N1CCCC12CN(C(=O)C(Cl)Cl)C2	1841266217	QXZJWEUMADGKCJ-UHFFFAOYSA-N	323.220	1.420	50	20	DDGD	
COC(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843361807	VKUVWPKXLPHGMG-VIFPVBQESA-N	306.765	1.149	50	20	DDGD	
O=C(Cc1ccsc1)NNC(=O)c1cccc2c1CCN2	1580576110	FGKHOQSUMZUXAB-UHFFFAOYSA-N	301.371	1.720	50	20	DDGD	
C[C@@]1(Br)C[C@H]1C(=O)NNc1ncccc1C(=O)O	1589181733	BMNJIHKHGFZIKL-WRWORJQWSA-N	314.139	1.396	50	20	DDGD	
C=C[C@@H](NNC(=O)[C@H](C)Oc1ccc2ccccc2c1)C(=O)O	1588700768	LCONVLFIZGXTIK-XHDPSFHLSA-N	314.341	1.867	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1ccc(-c2nn[nH]n2)s1	1588775854	LQULTCICQJIFCP-IUCAKERBSA-N	320.378	1.193	50	20	DDGD	
CN(C)N(C(=O)CCC(F)F)c1nc(CC(=O)O)cs1	1598255891	LMSZJUYYSWNZMI-UHFFFAOYSA-N	307.322	1.625	50	20	DDGD	
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NNc1ncccc1C(=O)O	1593860828	DFLBWQNZKLZRRF-VHSXEESVSA-N	321.333	1.202	50	20	DDGD	
C[C@]1(C(=O)NC[C@H](CC(=O)O)C2CC2)C[C@@H]1Br	1593749683	SEOGAWRLXBZBIS-AUTRQRHGSA-N	304.184	1.777	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)c(F)c1	1592690580	IVBSQRWWXGKATC-UHFFFAOYSA-N	324.279	1.029	50	20	DDGD	
C[C@]1(C(=O)NNc2cccc(-c3nn[nH]n3)c2)C[C@H]2CC[C@H]1O2	1590068249	FBEBTQRLBPFXHH-JMSVASOKSA-N	314.349	1.267	50	20	DDGD	
COc1cc(C(=O)O)ccc1C=NNC(=O)N=c1cc[nH]cc1	1776077800	BOFZSROZFALSRC-UHFFFAOYSA-N	314.301	1.366	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1c[nH]c2c(C(=O)O)cccc12	1776082471	SZUQRQNNRYXXNE-KOLCDFICSA-N	315.329	1.741	50	20	DDGD	
N#Cc1ccc(C(=O)O)c(C=NNC(=O)c2cccc(F)n2)c1	1776094542	YLZPNVIHPBEONP-UHFFFAOYSA-N	312.260	1.554	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2cc(C(=O)O)cn2C)cc1O	1776103632	SJBMGKQPTXVBSR-UHFFFAOYSA-N	301.302	1.501	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)c1cnccn1	12060714	MHOOIZIXVKMCMN-UHFFFAOYSA-N	306.325	1.634	50	20	DDGD	
NC(=O)COc1cccc(C(=O)NNc2ccccc2Cl)c1	158221971	MXOYCUJYBHBGAC-UHFFFAOYSA-N	319.748	1.961	50	20	DDGD	
Cc1cc(NNC(=O)c2cccc([N+](=O)[O-])c2O)nc(C)n1	152598084	RJBFCNUFDUEAQH-UHFFFAOYSA-N	303.278	1.464	50	20	DDGD	
Cn1c(C(=O)NNc2nc(C(F)(F)F)cs2)cccc1=O	153400241	AUGVVMSAZHIGCW-UHFFFAOYSA-N	318.280	1.618	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H]2CCCCN2CC)n1	155740489	FRBVEOZNYGEMOW-ZDUSSCGKSA-N	320.441	1.640	50	20	DDGD	
Cc1ccc(F)c(S(=O)(=O)NNC(=O)OC(C)(C)C)c1	154820285	WEGJJSFFPYZVIW-UHFFFAOYSA-N	304.343	1.852	50	20	DDGD	
Cc1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1ccccc1)CC2	159482435	VKPTZDRTGVAYOV-UHFFFAOYSA-N	323.352	1.345	50	20	DDGD	
Oc1cc2c(nn1)CCN(C[C@@H](CBr)C1CC1)C2	859257399	AHXRVKQBLOQDJP-LLVKDONJSA-N	312.211	1.961	50	20	DDGD	
COC(=O)N1CCC(NS(=O)(=O)CCCCCl)CC1	153693809	NBDHNERLLZXPAZ-UHFFFAOYSA-N	312.819	1.156	50	20	DDGD	
CCN(CC)C(=O)CNS(=O)(=O)c1ccc(CCl)cc1	380113127	PHEWSNLCZXLHTN-UHFFFAOYSA-N	318.826	1.572	50	20	DDGD	
O=S(=O)(CBr)N[C@H](CO)CC1CCCCC1	841575955	TWKILBBMRSMGIU-JTQLQIEISA-N	314.245	1.590	50	20	DDGD	
CN(Cc1ccccc1)C1CN(S(=O)(=O)CCCCl)C1	882191703	QCLDWUHHRHDIJZ-UHFFFAOYSA-N	316.854	1.761	50	20	DDGD	
COc1ccc(SCC(=O)NNC(=O)c2ccc[nH]2)cc1	6991747	VVDZWVHHXHJIGM-UHFFFAOYSA-N	305.359	1.577	50	20	DDGD	
CNC(=S)NNC(=O)c1ccc(COc2ccccc2)o1	7580099	NTMJYXOMNLMHEE-UHFFFAOYSA-N	305.359	1.597	50	20	DDGD	
O=C(CCN1CCCC1=O)NNc1nc(-c2ccccc2)no1	102789862	URVIINCUSALXNH-UHFFFAOYSA-N	315.333	1.192	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1cc(F)ccc1F	103060412	MLGHKMPFQQLMNC-UHFFFAOYSA-N	306.334	1.711	50	20	DDGD	
COC(=O)[C@@H](NS(=O)(=O)CCCCl)c1ccccc1	50513781	OGHQAXTWUGNJIQ-NSHDSACASA-N	305.783	1.449	50	20	DDGD	
Cc1ccc2[nH]c(C(=O)NNC(=O)c3cnn(C)c3)cc2c1C	117820775	KKTIGJFNLYZBFY-UHFFFAOYSA-N	311.345	1.593	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CC[C@H]2CCCCO2)cc1	111548861	OANGVVJKAPWWQY-OAHLLOKOSA-N	319.405	1.904	50	20	DDGD	
O=C(NCc1ccn2ccnc2c1)NNc1cncc(Cl)n1	177780111	YEFUIGXBOVGWES-UHFFFAOYSA-N	317.740	1.604	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)c2ccccc2O)c1	23424173	PXUNHPMBJTZWLO-UHFFFAOYSA-N	314.341	1.795	50	20	DDGD	
Cc1[nH]c(-c2ccccn2)n/c(=N\NC(=O)c2ccco2)c1C	114891235	SZQBESGRQIKIQS-UHFFFAOYSA-N	309.329	1.927	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccccc1)Cc1cscn1	63590559	RFNDFNVAXVUJRY-UHFFFAOYSA-N	304.375	1.036	50	20	DDGD	
CC(C)Cc1ccc(C(=O)CCC(=O)NN(C)C(N)=O)cc1	179694720	KNEDDBMJNBZCRZ-UHFFFAOYSA-N	305.378	1.890	50	20	DDGD	
C[C@H]1CN(CC(=O)NNC(=O)c2ccccc2)[C@H]2CCCC[C@@H]21	182496862	OEXCPZJJVQQOSQ-IMJJTQAJSA-N	315.417	1.958	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)C(=O)Nc1ccsc1	126011188	RRGSPKWKIVFEOA-UHFFFAOYSA-N	317.370	1.467	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)N[C@@H]1CCOC1	179167180	MSBZYHDXLBMAIE-CQSZACIVSA-N	313.357	1.502	50	20	DDGD	
CC(C)N(CCNC(=O)NNc1ccc(Cl)nn1)C(C)C	125902300	QZJCAMWGOVVCMN-UHFFFAOYSA-N	314.821	1.875	50	20	DDGD	
CCC[C@@H]1C[C@H](C(=O)NNC(=O)Cn2nc(C)cc2C)CCO1	183446890	MKUWKHFBRQNCIS-ZIAGYGMSSA-N	322.409	1.243	50	20	DDGD	
CN1C(=O)CC[C@@H](C(=O)NN)[C@H]1c1ccc(C(F)(F)F)cc1	121190141	VWIGXKFNFVCSHT-ZYHUDNBSSA-N	315.295	1.605	50	20	DDGD	
O=C(CCCc1nc2ccccc2[nH]1)NNc1ncc(F)cn1	123366197	XMOJATABHHCELV-UHFFFAOYSA-N	314.324	1.958	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)CCn1cccn1	74594298	DZHDOBYAQSWQRC-UHFFFAOYSA-N	309.801	1.707	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)Nc1cccnc1	73117602	RJAWYWBCSFNZTE-JTQLQIEISA-N	318.308	1.841	50	20	DDGD	
C[C@@H](O)CC(C)(C)CNC(=O)NNC(=O)c1ccccc1F	74550768	CCNVCCYMMIJGRH-SNVBAGLBSA-N	311.357	1.567	50	20	DDGD	
C=C[C@@](C)(CCOC)C(=O)NNc1nc(-c2ccncc2)no1	187670375	SOJPWNFHFYWROS-HNNXBMFYSA-N	317.349	1.804	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C(C)(C)F)cc1	131808955	PEZSZLVFZUSXOY-JTQLQIEISA-N	312.341	1.748	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1ccc(F)cc1F	83064540	IRSYLGAWOPJPEJ-UHFFFAOYSA-N	306.272	1.755	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(F)cc2nc(C)c(C)nc12	48401332	GBCIHWDATMMXCX-UHFFFAOYSA-N	306.297	1.777	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccc([N+](=O)[O-])cc2)o1	84380299	DULRLPDKSUFYFV-UHFFFAOYSA-N	303.274	1.500	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COCc2ccccc2)c(O)c1	80387765	SGINMFAJINSEMX-UHFFFAOYSA-N	314.341	1.678	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)C(F)F)cc1OC	193265488	BMZYVQSGWLTFMZ-UHFFFAOYSA-N	302.277	1.510	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(C[C@H](C)NC(=O)NNc2ncccn2)C1	249797617	XVXJNFTVPLMRIP-XQQFMLRXSA-N	306.414	1.469	50	20	DDGD	
Cn1c(=NNC(=O)CN2CCCCC2=O)sc2ccccc21	255626994	MRHZLCGXMMAUHN-UHFFFAOYSA-N	318.402	1.184	50	20	DDGD	
COCCC1(C(=O)NNC(=O)CNc2ccc(OC)cc2)CC1	269478573	AQCMLBGLJZWQKX-UHFFFAOYSA-N	321.377	1.071	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCOc1ncccc1F	269496532	PSFVBILHZYBGNR-UHFFFAOYSA-N	312.345	1.366	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)CNc1ccccc1OC	269875005	VSBKUUJLBYTLDQ-LLVKDONJSA-N	309.366	1.070	50	20	DDGD	
Cc1nn(-c2ccccc2)cc1C(=O)NNC(=O)CC(C)C	264002546	RQLXOBJUZZCZIW-UHFFFAOYSA-N	300.362	1.988	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@H](C)Oc1ccccc1F	266500417	FKLFALMDRUGPAR-NSHDSACASA-N	311.357	1.970	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2	365412667	FSXMGMUGPCHJGG-OAAXVMEWSA-N	322.796	1.904	50	20	DDGD	
C[C@H](CC(=O)O)NS(=O)(=O)c1ccc(CCCCl)cc1	270514198	QDORTBFQEBNHLW-SNVBAGLBSA-N	319.810	2.000	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2c(C)c(C)nn(C)c2=O)c1	271196096	WOOGFQLVYCAEHP-UHFFFAOYSA-N	304.325	1.602	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@]1(C)CCCOC1	272608296	GUYDYRWVVCXADP-ZBEGNZNMSA-N	324.352	1.557	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H](F)C(F)(F)F)c1	278715086	SJNUNXDLDIOSAE-SNVBAGLBSA-N	308.231	1.422	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NNc1ccc(C(N)=O)nn1	274410014	VEJFPPHHYPEVJD-JQWIXIFHSA-N	321.381	1.004	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNC(=O)Cc1ccccc1F	276480706	GAXKSZFHIAZISW-UHFFFAOYSA-N	304.325	1.098	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H](C)N(C)CC(F)(F)F	277552316	STYZEVASRWWMLR-SNVBAGLBSA-N	317.311	1.639	50	20	DDGD	
COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)NNC(C)=O	276204543	OKANQBRFQNQINZ-QMMMGPOBSA-N	315.757	1.926	50	20	DDGD	
O=C(NNc1cnccn1)Nc1ccccc1O[C@H]1CCOC1	271334189	FTVOWFYNYDEUNZ-NSHDSACASA-N	315.333	1.793	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)N1CCN(C)CC1)c1ccccc1F	278741379	WBAKLXIHMHGNKI-GFCCVEGCSA-N	322.384	1.308	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cccc([C@@H]2CCOC2)c1	270519125	QSYZXHGYDVKHNL-CQSZACIVSA-N	313.357	1.604	50	20	DDGD	
CC(C)(O)c1ccc(CNS(=O)(=O)CBr)cc1	274648053	CYUWXDGDBGNXCI-UHFFFAOYSA-N	322.224	1.686	50	20	DDGD	
CCc1nn(C)cc1NC(=O)C(=O)NNc1cc(C)cc(C)c1	275719955	NMSOSDLSEQXCSH-UHFFFAOYSA-N	315.377	1.681	50	20	DDGD	
Cn1cc([C@@H]2C[C@H]2C(=O)NNc2nccnc2C2CCC2)cn1	376414651	PLGIOKSLYUTZAH-QWHCGFSZSA-N	312.377	1.724	50	20	DDGD	
COC(=O)c1cc(OC(=O)[C@H](OC)C2CC2)ccc1[N+](=O)[O-]	280600600	XDMUFCKQPFHPKM-GFCCVEGCSA-N	309.274	1.712	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)c1cccc(N(C)C)c1	280292340	OWCODCGUTBHQLO-RYUDHWBXSA-N	317.389	1.519	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C12CCCN1CCC2	288868421	XVGHGXJOFNBQMS-UHFFFAOYSA-N	304.350	1.975	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1	288649348	ZQKLXIWXSMTUJW-XTZCOPOCSA-N	320.393	1.227	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1scnc1CC	288122138	YPMHIJTZTQEXKR-UHFFFAOYSA-N	315.395	1.256	50	20	DDGD	
C=CC[C@H](CC)NC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	281305612	JNZICZAWAJHAOP-VIFPVBQESA-N	322.321	1.599	50	20	DDGD	
COCC1(C(=O)NNc2nc(-c3ccccc3)no2)CCC1	283319848	FKLBQJNMLYXXHQ-UHFFFAOYSA-N	302.334	1.996	50	20	DDGD	
O=C1CCCC[C@H](C(=O)NNc2ccc3c(O)nccc3c2)N1	285774893	SDGNMJHWHWYRKI-CYBMUJFWSA-N	314.345	1.442	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)c(O)c1	295338168	HTWVIJMFPWOVEH-AWEZNQCLSA-N	306.362	1.846	50	20	DDGD	
Cn1cncc1CC(=O)NNc1ccnc(Br)c1	807260509	FTLOLDPKSNKUNR-UHFFFAOYSA-N	310.155	1.263	50	20	DDGD	
CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(CCCCl)cc1	291947579	NWAURHDMKRLJGN-JTQLQIEISA-N	318.826	1.271	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H](C)CN2CCCC2=O)cc1	297388028	NNSZVHDWEIFLPA-LBPRGKRZSA-N	320.393	1.722	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc(O)nc3ccccc23)O1	293987255	UBWZFIAQENYQOA-ZANVPECISA-N	315.329	1.269	50	20	DDGD	
Cc1nn(-c2ccccn2)c(C)c1C=NNC(=O)NCC1CC1	802709622	GXRRGKJUFOOHIO-UHFFFAOYSA-N	312.377	1.927	50	20	DDGD	
Cc1ccc([C@H](C)NC(=O)NNC(=O)[C@H]2CCCCO2)cc1	296216115	IZSVAKBJSKVJFN-GXTWGEPZSA-N	305.378	1.956	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)[C@@H]2CCCCO2)cc1C	295268391	BQZHMZYQNCPQIP-AWEZNQCLSA-N	322.361	1.099	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cccc2c1CCCC2	295684053	YJUAEVONBUNHJX-OAHLLOKOSA-N	302.374	1.896	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)Nc1cc2ccccn2n1	806649112	VYSNTSCYRYPOCG-UHFFFAOYSA-N	303.713	1.926	50	20	DDGD	
Cc1nc(C2CC2)ccc1C(=O)NNC(=O)NCC(F)(F)F	296060822	CVGCWRNQPUXCDF-UHFFFAOYSA-N	316.283	1.774	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Nc1nc(C)no1)c1ccccc1	296740038	HQJZGQMRDDDACX-NSHDSACASA-N	303.322	1.725	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(C)cnc1OC(C)C	296917991	IGXJKXHLONWJQM-UHFFFAOYSA-N	309.370	1.875	50	20	DDGD	
COC(=O)[C@H]1C[C@H]1C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	295869231	FOQYCSHMZMBFOK-SFYZADRCSA-N	313.697	1.500	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cncc(C(F)(F)F)c1	292187650	RCSOWQIEKSFROY-VIFPVBQESA-N	303.240	1.040	50	20	DDGD	
CC[C@H](C)CONC(=O)NNC(=O)Cc1ccccc1OC	291791561	OWSWYCRCOSBGPF-NSHDSACASA-N	309.366	1.546	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)CC1CC1)C(=O)c1cccc(F)c1	294261635	UHTMNLXFZVECCC-JTQLQIEISA-N	306.337	1.982	50	20	DDGD	
CN(C)C(=O)c1ccnc(NC(=O)NNc2ncccc2F)c1	806408226	UQCRQBNMGYOONJ-UHFFFAOYSA-N	318.312	1.466	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2cccnc2Cl)ccn1	807013052	DFIOLPLGUMTBSL-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
COCCN(C)NC(=O)c1cnn(-c2ccc(F)cc2)c1C	808073982	WERDSIAGLUXIES-UHFFFAOYSA-N	306.341	1.543	50	20	DDGD	
O=C(Cn1nnc(-c2ccccc2)n1)NN=C1CCC[C@H]2C[C@@H]12	800805084	ONEHLWUCLWTANC-QWHCGFSZSA-N	310.361	1.632	50	20	DDGD	
CC(C)(C)N1C[C@H](C(=O)NNC(=O)Nc2ccccc2)CC1=O	801992070	XMZKYUOCEGQVQI-LLVKDONJSA-N	318.377	1.486	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@]1(c2ccccc2)CCC(=O)NC1	816831235	LGXUYUSVUHKBQX-KRWDZBQOSA-N	317.389	1.028	50	20	DDGD	
COCCN(C)NC(=O)Cn1c(C)nc2cc(F)c(F)cc21	819745023	MVLMAPNKBYICGL-UHFFFAOYSA-N	312.320	1.232	50	20	DDGD	
CC(C)OCCONC(=O)NNC(=O)c1cccc(Cl)c1	812953007	PMTKTTDLOWNRLD-UHFFFAOYSA-N	315.757	1.641	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	819743808	WPPSBSUNYNZWDW-JTQLQIEISA-N	313.188	1.929	50	20	DDGD	
CCOC1CC(=NNC(=O)c2cccc(S(C)(=O)=O)c2)C1	814804081	YVDFRQFBIWJZOH-UHFFFAOYSA-N	310.375	1.375	50	20	DDGD	
Cc1cnn([C@@H]2CCN([C@H](C)C(=O)NNC(=O)CC(C)C)C2)c1	810121000	IJXWTMZMNUKJQI-ZIAGYGMSSA-N	321.425	1.020	50	20	DDGD	
COCCN(C)NC(=O)c1nnn(-c2cccc(Cl)c2)c1C	816562161	AWWCQCUIOIDMSS-UHFFFAOYSA-N	323.784	1.452	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC[C@@H](Nc2ccccc2)C1	828384072	AFKVWNCKGNPTDV-OAHLLOKOSA-N	318.421	1.366	50	20	DDGD	
COc1cc(CCC(=O)NNC(=O)Cc2ccccc2F)on1	826937838	VEAHLPKINJILPM-UHFFFAOYSA-N	321.308	1.145	50	20	DDGD	
CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)NNC(=O)OC	495408362	RAUJMSJSCOKEDZ-CYBMUJFWSA-N	303.359	1.315	50	20	DDGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NN(C)[C@@H](C)CO	823982783	DHSBSLOWKBVKFQ-JTQLQIEISA-N	320.368	1.586	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1	495481237	PPXMZUDLFUUZPD-VIFPVBQESA-N	315.370	1.267	50	20	DDGD	
CC(C)C(=O)NNC(=O)CSCC(=O)Nc1ccccc1	829566913	OOCFJOZBLHWROS-UHFFFAOYSA-N	309.391	1.162	50	20	DDGD	
COC(=O)NNC(=O)c1cccc(NC(=O)c2cccnc2)c1	495325844	BLWCERGFURBOIA-UHFFFAOYSA-N	314.301	1.335	50	20	DDGD	
CC(C)CN1CC[C@H](CNC(=O)/C(C#N)=C/c2cnn(C)c2)C1	491101816	GEFBTIASRDCDDI-PXWILEGGSA-N	315.421	1.421	50	20	DDGD	
CCC1(CNC(=O)/C(C#N)=C\c2cnn(C)c2)CCOCC1	490974525	NKYNLARITHRNMX-ZSOIEALJSA-N	302.378	1.650	50	20	DDGD	
CCOC(=O)NCCC(=O)NNC(=O)c1ccc(CC)cc1	490555379	ACNFRJDUUYNIJN-UHFFFAOYSA-N	307.350	1.146	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@@H]2CO[C@@H](C)C2)cc1	827617114	CFVQOZDPNSMOCH-ONGXEEELSA-N	308.338	1.208	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2C[C@H](c3cccc(Cl)c3)C2)o1	585038589	CKVVKRVLBBQVGE-AULYBMBSSA-N	305.570	1.649	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1ccc(-n2cncn2)c(F)c1	490549416	HOJBDHLCBHFUPU-WUXMJOGZSA-N	315.308	1.076	50	20	DDGD	
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CC(C)C	495532316	BRJKXNQQOYFSCM-SNVBAGLBSA-N	301.387	1.483	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)CSc1ccc(C)cc1	727365694	MGZQECDXCTWGEZ-NWDGAFQWSA-N	322.386	1.044	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C1CC1	823917023	CYUXSYMEMCUPCS-QWRGUYRKSA-N	315.414	1.118	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C1(NC(=O)OC(C)(C)C)CCC1	496316461	ZTLZIBNYSSYDPA-UHFFFAOYSA-N	314.386	1.126	50	20	DDGD	
Cc1ccc(CN(CCO)C(=O)/C(C#N)=C\c2cnn(C)c2)cc1	490974974	OHSUGSSUDBPIDM-MFOYZWKCSA-N	324.384	1.657	50	20	DDGD	
CCC(=O)[C@@H]1CCCCN1C(=O)/C(C#N)=C/c1cnn(C)c1	491104270	NHRMZSZAWVMVCA-CZAWJFPGSA-N	300.362	1.687	50	20	DDGD	
CCOC(=O)[C@@H](CC1CC1)NC(=O)/C(C#N)=C/c1cnn(C)c1	826817896	HMBKIAXPYTYFQX-YGLIYXGISA-N	316.361	1.175	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC[C@@H](C(C)(C)C)C1	827274416	OEISBCVMYRKQIT-XQQFMLRXSA-N	311.426	1.910	50	20	DDGD	
CCn1cc(CNC(=O)NNc2cccc([N+](=O)[O-])c2C)nn1	821732858	SNJHIZXELJTDEJ-UHFFFAOYSA-N	319.325	1.341	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC[C@@H]1Cc1ccccc1	827323410	KZJWQCREGZHVOG-OAHLLOKOSA-N	303.406	1.497	50	20	DDGD	
O=C(NCCc1nc2ccccc2[nH]1)NNc1ccc(F)cn1	731359006	LOVOSCUPTWJSEM-UHFFFAOYSA-N	314.324	1.966	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@H]1c1ccccc1	827314309	AGYVMNSXYHEGPI-UBHSHLNASA-N	303.362	1.599	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@]2(C)CCO[C@@H]2C2CC2)cn1	491138519	ZGGORWQUURRPTR-BYPYNOPISA-N	300.362	1.401	50	20	DDGD	
O=C(CN(Cc1cccnc1)c1ccccc1)NNC(=O)C1CC1	735646714	JHXDJGCVOHGJLA-UHFFFAOYSA-N	324.384	1.646	50	20	DDGD	
Cc1ccccc1CN(C(=O)c1cccc(B(O)O)c1)C1CC1	584927335	GFWZRGRUVXQPLL-UHFFFAOYSA-N	309.174	1.480	50	20	DDGD	
CON=Cc1ccc(C(=O)NNc2ccc(OC)cn2)cc1	588539847	XUAFFTPTPPPGQY-UHFFFAOYSA-N	300.318	1.827	50	20	DDGD	
O=C(NCB(O)O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1	585062456	IHQJMBZIFPDBID-UHFFFAOYSA-N	317.072	1.036	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)cc1F)[C@H](C)Oc1ccccc1	585025127	MJZZLQULCRHANP-STQMWFEESA-N	317.169	1.451	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccccc1CCC(=O)OC	907253427	UORNQBJDDZJAKX-UHFFFAOYSA-N	307.350	1.098	50	20	DDGD	
CN1CCO[C@H](C(=O)NNc2cc(Cl)cc(Cl)c2)C1=O	907707403	PYFSOQOXXOZAEW-SNVBAGLBSA-N	318.160	1.294	50	20	DDGD	
O=Cc1ccc(OCCC(=O)NNC(=O)C2CCCC2)cc1	731608192	NLVZCUNOQDSXBI-UHFFFAOYSA-N	304.346	1.606	50	20	DDGD	
OB(O)[C@@H]1CCN(Cc2c(Cl)cccc2N2CCOCC2)C1	585075902	KAGJPYDRCMPEOW-GFCCVEGCSA-N	324.617	1.225	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@]2(C)CCCCO2)cc1OC	837308902	RSTRPZNQANTKLD-INIZCTEOSA-N	322.361	1.424	50	20	DDGD	
O=C(NCB(O)O)c1cn(-c2ccccc2)nc1-c1ccccc1	585053568	AKARMVJSFUIRIT-UHFFFAOYSA-N	321.145	1.281	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H]2COC[C@H]2OCC)cc1	838720583	XHBWGCDULOBLHE-ZIAGYGMSSA-N	309.366	1.515	50	20	DDGD	
NC(=O)C1(C(=O)NN=C(c2ccccc2)c2ccccc2)CC1	731603106	RTAXDYGXAWGCRN-UHFFFAOYSA-N	307.353	1.821	50	20	DDGD	
Cn1nnc2cc(NC(=O)NNC(=O)CC3CCCC3)ccc21	831965810	GFBSTFYNKUBXQA-UHFFFAOYSA-N	316.365	1.701	50	20	DDGD	
CC(C)c1ccc(NNC(=O)CSc2n[nH]c(O)n2)cc1	837058027	JPNRAGLLVKMWGY-UHFFFAOYSA-N	307.379	1.869	50	20	DDGD	
COCC(COC)NC(=O)NNc1ccc(Cl)c(F)c1	838677956	UOOOGMASWODXOA-UHFFFAOYSA-N	305.737	1.767	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)CC(F)(F)F)C12CCC2	838770409	WLSYPSMYFHUYII-YUMQZZPRSA-N	309.288	1.227	50	20	DDGD	
O=C(O)CCCN1CCC(=NNC(=O)c2cccnc2)CC1	739672404	GAXPFRBJJKCODW-UHFFFAOYSA-N	304.350	1.128	50	20	DDGD	
Cc1ccc2c(CC(=O)NNC(=O)[C@@H]3CCCCO3)c[nH]c2c1	833250662	JPVGGOZJBPEESB-HNNXBMFYSA-N	315.373	1.735	50	20	DDGD	
C=CCNc1ncc(C(=O)NNC(=O)NC2CCCC2)s1	900413225	OWFIRZBULZEKMV-UHFFFAOYSA-N	309.395	1.628	50	20	DDGD	
O=C(O)NCC(=O)Oc1ccc([N+](=O)[O-])cc1Br	739937097	TVMCQWUCRQMLQR-UHFFFAOYSA-N	319.067	1.530	50	20	DDGD	
CN1CCC[C@@H](CCNC(=O)NNc2cccc(C#N)c2)C1	838768397	NDWLZXWHPIUHKP-ZDUSSCGKSA-N	301.394	1.916	50	20	DDGD	
O=C(NNc1cccnn1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	736710794	MXCJFDJREFMFHW-SNVBAGLBSA-N	315.308	1.112	50	20	DDGD	
Cc1nn(C(C)(C)C)c(C)c1C(=O)NNC(=O)c1cnn(C)c1	735471294	UJYGPSMQUSVHHC-UHFFFAOYSA-N	318.381	1.063	50	20	DDGD	
C[C@@H]1[C@@H](CNC(=O)NNC(=O)[C@@H]2CCCCO2)CCC[C@H]1C	836439521	XBJDKMMCGITKHH-RQJABVFESA-N	311.426	1.958	50	20	DDGD	
CCn1ncc(C(=O)NN(C)C[C@H](C)O)c1-c1ccccc1	910152391	KTSGWUNMKFAXRB-LBPRGKRZSA-N	302.378	1.527	50	20	DDGD	
CCO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1ccccc1O	838727522	WXTNVBOZSDFQDB-DGCLKSJQSA-N	307.350	1.294	50	20	DDGD	
Cn1c(=NNC(=O)c2cccc[n+]2[O-])sc2ccccc21	916094163	FZZPLTVPMUKVSQ-UHFFFAOYSA-N	300.343	1.119	50	20	DDGD	
NS(=O)(=O)CCCCNC(=O)NNc1ccccc1Cl	838618626	DFKCCORYNGQKHE-UHFFFAOYSA-N	320.802	1.035	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NC[C@H]1CCCC[C@H]1C	748624739	JVGUHNCGAVKGRP-JHJVBQTASA-N	315.414	1.195	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@H](C)CC(=O)O	830260175	WFUMUUUKQSXXAZ-SNVBAGLBSA-N	323.418	1.986	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)Cn1cc2ccccc2n1	748534784	MRXWUWPTMQLKAB-UHFFFAOYSA-N	322.368	1.817	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C/C=C/c1ccccc1	916363088	QIIMIOONMIZPDU-BZSWAWSFSA-N	301.390	1.770	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=S)NC[C@@H]1CCOC1	749688326	QCBAVSHLCAQBCM-ZDUSSCGKSA-N	307.419	1.151	50	20	DDGD	
Nc1ccc(C(=O)NN=Cc2ccccc2N2CCOCC2)cc1	912777863	VKTUZEYYCLTPMO-UHFFFAOYSA-N	324.384	1.869	50	20	DDGD	
COCCOCC(C)=NNC(=O)Cn1cnc2ccccc21	741161135	ISONPZZYNXFIFF-UHFFFAOYSA-N	304.350	1.191	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@H](C)C(=O)OC(C)C)n1	745905034	GRWSSBLICRSONF-VIFPVBQESA-N	309.370	1.307	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cccc(CN2CCCCC2)c1	840433515	KSSFVQRVAPZRHF-UHFFFAOYSA-N	319.405	1.204	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCCC[C@@H]1C=NNC1=O	912471179	YVYQZBKFUJQRCN-YFBAIUBQSA-N	314.320	1.361	50	20	DDGD	
C=CCOCCNC(=O)NNc1ccc(CC(=O)OC)cc1	845100494	PXNUXVAFLWCZAA-UHFFFAOYSA-N	307.350	1.231	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(C2CCCCC2)[nH]n1	843979416	NXSRKAZZBUKDJO-JQWIXIFHSA-N	320.393	1.643	50	20	DDGD	
NC(=O)C1(C(=O)NNC(=O)c2cccc3ccccc23)CCC1	747907529	NVTQADACCPJLFK-UHFFFAOYSA-N	311.341	1.256	50	20	DDGD	
COc1nccnc1NNC(=O)c1cccc2c1OC(C)(C)C2	848224911	GHADAKIDFXYJDG-UHFFFAOYSA-N	314.345	1.956	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNc2nc3ccccc3n2C)C1	848379073	BYWWNMKIXJIULB-NSHDSACASA-N	315.377	1.275	50	20	DDGD	
CCn1nc(C(=O)NN=C2CO[C@@H](C)C2)c2ccccc2c1=O	842523231	DNJZEBUBUDBLFV-JTQLQIEISA-N	314.345	1.311	50	20	DDGD	
COc1cccc(NC(=S)NNC(=O)NCC(F)(F)F)c1	917598658	NYOFSGJYUPRGBA-UHFFFAOYSA-N	322.312	1.758	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)NC2CCCC2)CCCC1	843777479	JPNZDZMYVDEBNE-UHFFFAOYSA-N	311.382	1.383	50	20	DDGD	
CCCN[C@H](C)C(=O)NNc1ncc(Br)cn1	848436137	HLUFGHYPFSYEHF-SSDOTTSWSA-N	302.176	1.070	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCc1nnc(-c2ccsc2)o1	910175937	WBIHWYDJWDUMBB-SECBINFHSA-N	310.379	1.075	50	20	DDGD	
CC(C)C[C@H](CN)NC(=O)NNc1ncnc2ccsc12	841953744	LEUDJKVKKXEJIT-SECBINFHSA-N	308.411	1.691	50	20	DDGD	
COc1ccccc1C(C)(C)C(=O)NNC(=O)c1ncccn1	841354305	LVHJNYKZLFINKL-UHFFFAOYSA-N	314.345	1.224	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCc1cccc(Cl)c1	843645035	QECVUNFQRYSDRS-ZWNOBZJWSA-N	310.781	1.845	50	20	DDGD	
O=C(CNc1ccccc1)NN=Cc1cnc(N2CCCC2)nc1	914771775	FHXSSCOJVIPOCR-UHFFFAOYSA-N	324.388	1.639	50	20	DDGD	
C[C@@H]1CN(Cc2ccccc2)CC1=NNC(=O)c1ncccn1	841664216	KYQGMEYCYLGXRY-CYBMUJFWSA-N	309.373	1.714	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cccnc1NC(C)C	743338957	HAKYXJYIZYXFOH-UHFFFAOYSA-N	302.338	1.008	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cc(Cl)ccc1-n1cncn1	843796934	WOEKBOZPYXRKAK-UHFFFAOYSA-N	319.752	1.482	50	20	DDGD	
CC[C@@H](C(=O)NN=Cc1c(N)ncnc1OC)c1ccccc1	747631669	SXEJJFIEPUPVGB-GFCCVEGCSA-N	313.361	1.711	50	20	DDGD	
Cc1nc2scc(C)n2c1C=NNC(=O)[C@H]1CCO[C@@H]1C	842553030	DEKOQMZFLWJIIM-MNOVXSKESA-N	306.391	1.888	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCCO2)c1cncnc1C	848404864	RUONEQFIKDLVEY-UHFFFAOYSA-N	312.329	1.710	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C)[C@@H](C)CSc1ccccc1	844362009	WJQBBTOXFOOXRR-ZDUSSCGKSA-N	323.462	1.902	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](O)[C@H](C)c1ccc(C)cc1	840572614	VHPRXYOSJFPLGI-YPMHNXCESA-N	316.361	1.401	50	20	DDGD	
CC(C)C[C@H](CN)NC(=O)NNC(=O)c1cc2c(s1)CCC2	841953288	GJZMJCZMOQDFLX-LLVKDONJSA-N	324.450	1.554	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2ncnn2CC)o1	848404080	JNGOBUMQLJZNHI-UHFFFAOYSA-N	318.381	1.497	50	20	DDGD	
C[C@H](NCC(=O)NNC(=O)C(C)(C)C)[C@@H](C)c1ccccc1	754180131	GKZFJJQZFSTKMI-OLZOCXBDSA-N	305.422	1.962	50	20	DDGD	
CC(=O)N[C@H](CCC(C)C)C(=O)NN(C)C(=O)OC(C)(C)C	854919302	BQTPOVUFNBFQQF-GFCCVEGCSA-N	315.414	1.825	50	20	DDGD	
CC(=O)N1CCC(C(=O)NNC(=O)Nc2ccccc2C)CC1	920436798	GMYFXPPMLHBSSL-UHFFFAOYSA-N	318.377	1.406	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Cn2nc(C)c3cccnc32)n1	929714916	GZIOGHWFMPCOBN-UHFFFAOYSA-N	311.349	1.290	50	20	DDGD	
COC[C@@H](OC)C(=O)NNC(=O)Nc1ccc(Cl)cc1	854377490	QIZVRVPFERLMIS-SNVBAGLBSA-N	301.730	1.154	50	20	DDGD	
C[C@@]1(CCNC(=O)NNC(=O)c2cn[nH]c2)CC1(Cl)Cl	858518300	OLMMCMXPOYPVHC-SNVBAGLBSA-N	320.180	1.328	50	20	DDGD	
CC(C[C@@H]1CCOC1)=NNC(=O)c1nnc(O)c2ccccc12	751520510	GJAPATFBRYIXEJ-NSHDSACASA-N	314.345	1.868	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cnc3n2CCCCC3)n1	857198742	MORUGMKDJFCZAE-UHFFFAOYSA-N	313.361	1.388	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccc(Oc2ccccn2)cc1	756568493	GJYIIIUHHRFXED-UHFFFAOYSA-N	302.290	1.019	50	20	DDGD	
CC(C)(C)c1ccc(CC(=O)NNC(=O)Cc2cc[nH]n2)cc1	755279162	MJQLESFEUWDQLW-UHFFFAOYSA-N	314.389	1.640	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2C[C@H]2OC(C)(C)C)cc1	856790981	DTGHJWQXJBZNIW-ZIAGYGMSSA-N	319.405	1.758	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNc1ccc([N+](=O)[O-])cc1F	855623897	TWKBIOHLJUCGSD-VIFPVBQESA-N	313.285	1.766	50	20	DDGD	
O=C(CO)NNC(=O)C[C@H](Cc1ccccc1)c1ccccc1	753445871	UOAQGWASHUNNBP-INIZCTEOSA-N	312.369	1.543	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccnc(Cl)c2)[C@H]2CCCC[C@H]2N1	855465994	FVEFLJVIKBITLQ-GRYCIOLGSA-N	322.796	1.873	50	20	DDGD	
CC(C)C[C@H](CNC(=O)NNC(=O)CC(C)(C)C)CC(=O)O	851653615	TZOLCWCLEUABQE-NSHDSACASA-N	315.414	1.890	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)C1CN(C2CCCCC2)C1	855092419	DUGIONZPGHTRDS-UHFFFAOYSA-N	324.494	1.546	50	20	DDGD	
Cc1nn(C)cc1CC(=O)NC[C@]1(C)C[C@@H]1Br	857385826	MGWICTFGNFYFKK-JQWIXIFHSA-N	300.200	1.561	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NC[C@H]2CCCS2)c1	756917198	QWVHTGHVMFUJQF-CYBMUJFWSA-N	323.418	1.600	50	20	DDGD	
C[C@]1(CNC(=O)NCCCCCCN)C[C@@H]1Br	857106629	TWNMPNBSDWJLPS-CMPLNLGQSA-N	306.248	1.978	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)co1	753982124	VXIACVZJTBXHOI-VIFPVBQESA-N	321.308	1.605	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CCN3CCCC[C@@H]23)c1	858191166	VZZIOPNZDLWLFI-NEPJUHHUSA-N	322.434	1.627	50	20	DDGD	
O=C(NNC(=O)C1SCCS1)c1cccc(Cl)n1	857323388	LIWJPBHLEXNZIL-UHFFFAOYSA-N	303.796	1.302	50	20	DDGD	
Cc1[nH]ccc1C(=O)NNC(=S)NCCc1cccs1	753016877	RJSZDSRFGOGNAF-UHFFFAOYSA-N	308.432	1.736	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2=C(C)OCCC2)cc1OC	755391866	FDIZOZWTKQELDA-UHFFFAOYSA-N	320.345	1.549	50	20	DDGD	
O=C(NNC(=O)c1c(C(F)F)nc2n1CCCC2)NC1CC1	865015275	XRJZUETXSALKFB-UHFFFAOYSA-N	313.308	1.263	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)C(=O)N1CCC[C@@H](C)C1	768179331	GAYYRPUJXKDSDY-LLVKDONJSA-N	319.361	1.175	50	20	DDGD	
Cc1cc(C)cc(CCC(=O)NNC(=O)Cc2cc(C)[nH]n2)c1	869014083	NHZXSKAORVDCCX-UHFFFAOYSA-N	314.389	1.658	50	20	DDGD	
C[C@@H](NNC(=O)[C@H](Oc1ccccc1)C(C)(C)O)C(F)(F)F	862320997	QAOSPCZSEXRQDU-KOLCDFICSA-N	320.311	1.777	50	20	DDGD	
CC(C)(C)OC(=O)CCC(=O)NNCC(F)(F)C(F)(F)F	863099095	BATHURXFPJNQSC-UHFFFAOYSA-N	320.258	1.927	50	20	DDGD	
Cc1cc(=NNC(=O)c2cc(CN3CCCC3)on2)cc[nH]1	862514322	XTMJMAUDOFDBBQ-UHFFFAOYSA-N	301.350	1.153	50	20	DDGD	
CCC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CC(C)C)cc1	861804122	LVYPKJHTSGKSLN-UHFFFAOYSA-N	319.361	1.411	50	20	DDGD	
Cc1cn2ccnc(C(=O)NNc3ccc(Cl)nc3)c2n1	762891308	HTRHPBTVQQHVSJ-UHFFFAOYSA-N	302.725	1.843	50	20	DDGD	
CC[C@H](C(=O)NN=c1cc[nH]c(C)c1)N(C)C(=O)OC(C)(C)C	862515361	RTNMGSRTGDIGFX-CYBMUJFWSA-N	322.409	1.901	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)n1	862523797	NYFIRCUJYSEULE-FMKPAKJESA-N	320.437	1.967	50	20	DDGD	
O=C(NNc1cnccn1)C1CC(O)(c2cccc(Cl)c2)C1	860936463	AAUFFCBHVRAEHT-UHFFFAOYSA-N	318.764	1.871	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CN(C)C)c2ccccc12	861515170	RERJSRNJDSLFOE-UHFFFAOYSA-N	316.361	1.563	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccsc1	763958572	WOJACIIGOYSVAQ-UHFFFAOYSA-N	303.343	1.456	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc3nc(C)sc3c2)n[nH]1	762192244	HNGBITIZXXKXRK-UHFFFAOYSA-N	315.358	1.711	50	20	DDGD	
Cn1nc(C2CCOCC2)cc1NC(=O)NNc1ccncn1	861515775	MEQXSHIMMRTOLC-UHFFFAOYSA-N	317.353	1.253	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1cccc2[nH]ccc12	868736081	LKXLXJDMYZUMMN-CMPLNLGQSA-N	316.361	1.423	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1c(F)ccc(O)c1O	863942348	PVXUNKGNZSETHH-UHFFFAOYSA-N	318.173	1.669	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cccc3ccsc23)cn1	767092178	UXVXFDJKJBXKSD-UHFFFAOYSA-N	300.343	1.710	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNc2ncc(F)cn2)cc1OC	762096459	ZAEJNNJFVKYAQH-XQRVVYSFSA-N	318.308	1.789	50	20	DDGD	
COc1ccc2oc(C=NNC(=O)N3CCOCC3)cc2c1	763356345	PUCQTWUPURSQFQ-UHFFFAOYSA-N	303.318	1.817	50	20	DDGD	
C=C[C@H](COC)NC(=O)NNc1ccc(C(=O)OC)cc1F	1117863860	ZMMZLRGELPERDX-SNVBAGLBSA-N	311.313	1.439	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)Nc1cc(C2CC2)ccn1	879610460	FESPFGOTMOIZKY-UHFFFAOYSA-N	304.350	1.538	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H]2CCO[C@@H](C)C2)cn1	776345458	SPLANQYSQNQBEC-VHSXEESVSA-N	324.406	1.223	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccn(C(F)F)n2)cc1	776222660	PWUNTSULOJCOFW-UHFFFAOYSA-N	323.303	1.460	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@@H]1CCNC1=O	873853054	KBSDVCVSRSJGCZ-LLVKDONJSA-N	320.418	1.011	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)c2sc(N)nc2C)c(O)c1	874105141	VZDPLFDCCJFDKV-UHFFFAOYSA-N	320.374	1.902	50	20	DDGD	
Cc1ccc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)cc1	771881514	JTHPNKVKMKPWBU-LBPRGKRZSA-N	306.362	1.734	50	20	DDGD	
COCCOCc1ccc(NC(=O)NN(C)C(=O)OC)cc1	880190447	UDJOTAVKBAHFTB-UHFFFAOYSA-N	311.338	1.584	50	20	DDGD	
CC(C)[C@H]1CCC[C@H](NC(=O)NNC(=O)c2cccnn2)C1	883325670	HYKNIVUIXNMQHY-RYUDHWBXSA-N	305.382	1.635	50	20	DDGD	
CCC(=O)NNC(=O)Nc1c(C(F)(F)F)nn(C)c1Cl	889201474	VOMQHQAKHSSBOP-UHFFFAOYSA-N	313.667	1.655	50	20	DDGD	
Cc1ncccc1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	772106246	OPDQOOHLXBYLFE-LLVKDONJSA-N	307.350	1.129	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNC(=O)COc1ccc(C)c(C)c1	777971339	XGDVJIBTVTUHGA-CYBMUJFWSA-N	322.405	1.892	50	20	DDGD	
O=C(NNC(=O)N1C[C@H]2C=C[C@H]1C2)c1nc2ccccc2s1	883767536	GKZMOQUEZXLVRO-UWVGGRQHSA-N	314.370	1.911	50	20	DDGD	
O=C(C[C@@H]1CCc2ccccc2C1)NNC(=O)C1CCOCC1	883063070	BRMDZMMDQQNJIE-CYBMUJFWSA-N	316.401	1.756	50	20	DDGD	
CSC1(C(=O)NNC(=O)COCc2ccccc2)CCC1	783671265	DFBMPEDVLQEMES-UHFFFAOYSA-N	308.403	1.636	50	20	DDGD	
O=C(NNc1ccc(F)cc1Cl)[C@@H]1CCCCS1(=O)=O	885137224	QDQGKHKJFKBEPX-NSHDSACASA-N	320.773	1.890	50	20	DDGD	
Cc1cc(C(=O)NNc2ccnc(F)c2)ccc1-n1cnnn1	781361586	ATBQLTPLADPKSN-UHFFFAOYSA-N	313.296	1.262	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1cnn(-c2ccc(F)cc2)c1C	785462602	PFNHUCNYVBYIRD-UHFFFAOYSA-N	318.352	1.931	50	20	DDGD	
CCC(O)(CC)CCNC(=O)NNC(=O)CCc1ccccc1	788121350	JDHDXHXLNRVKAF-UHFFFAOYSA-N	321.421	1.891	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)O[C@@H]1CCN(CC(F)(F)F)C1=O	786680971	PBDGSNMKAIPGSJ-NAZIUFLLSA-N	302.252	1.553	50	20	DDGD	
CN(C)[C@@H]1CCCC(=NNC(=O)Cc2cn3ccccc3n2)C1	788434928	YJFYHQLKNVDYPF-OAHLLOKOSA-N	313.405	1.853	50	20	DDGD	
COc1ccc(NNC(=O)Nc2cccc3c2OCO3)nc1	782064533	HLOHOIDBVCKESG-UHFFFAOYSA-N	302.290	1.968	50	20	DDGD	
CC(C)[C@H]1C[C@@H](CC(=O)NNc2ncnc3[nH]cnc23)CCO1	782118164	RTJGUMYZGUHYDV-WDEREUQCSA-N	318.381	1.637	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1cc(O)ccc1Br	785460122	JCKPZQNZXUQFNX-UHFFFAOYSA-N	301.140	1.376	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(F)c2ccccc12	797713760	SAMZOKBGRBLLCE-UHFFFAOYSA-N	319.336	1.959	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)Cc1ncccc1F	792031658	ZCOMNXPVFKOTHX-UHFFFAOYSA-N	305.284	1.292	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cc(O)nc2c1CCCC2	894256039	WYABNOMWDIMZRJ-UHFFFAOYSA-N	305.378	1.863	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)N[C@@H](C)[C@@H]1CN(C)CCO1	799606074	QQTDDTXLHILOQS-ZFWWWQNUSA-N	320.437	1.903	50	20	DDGD	
CN(C)c1ccc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])cn1	790592548	ZMGKVCZJKBFMPL-UHFFFAOYSA-N	319.296	1.952	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)c2cccn2C)[C@H](n2cncn2)C1	794489283	ZYRGECQEGKTHKK-SMDDNHRTSA-N	300.366	1.764	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H](O)c1cccc(C(F)(F)F)c1	795255982	JMBNSZJMZTWRON-JTQLQIEISA-N	318.295	1.932	50	20	DDGD	
C[C@H](C(=O)NNC(=S)NC(C)(C)C)c1ccc2c(c1)OCO2	794212918	WINKODYLHPSWBP-VIFPVBQESA-N	323.418	1.813	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCNc2ccccc2C)n1	794077523	WUUXZKOFINLDJT-UHFFFAOYSA-N	312.373	1.962	50	20	DDGD	
CC(C)C1CCC(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)CC1	794889137	PJHDRBVPDZYMFG-RUXDESIVSA-N	314.451	1.986	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2cccc3cnccc23)CCC1	793710942	RXIJSLWZAKIGBM-UHFFFAOYSA-N	319.386	1.645	50	20	DDGD	
C[C@H](CCc1ccco1)NC(=O)NNc1nncc(N)c1Cl	1319190180	NEJVIFGJZBSIGU-MRVPVSSYSA-N	324.772	1.953	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccc(OC(F)F)c1)n1ccnc1	1318476929	WWWPWXYGQWCZEZ-SECBINFHSA-N	324.287	1.507	50	20	DDGD	
Cc1ncncc1C(=O)NNC(=O)c1cc2c(s1)CCC2	1323175056	PCUKQMNCGOFTMH-UHFFFAOYSA-N	302.359	1.410	50	20	DDGD	
O=C(NN=Cc1ncc(C2OCCO2)s1)C1CCOCC1	1349839572	PGQLUUFTZYPLJN-UHFFFAOYSA-N	311.363	1.065	50	20	DDGD	
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NNc1nc2ccccn2n1	1343565196	BTWNWWSXVYMOIV-SECBINFHSA-N	313.365	1.391	50	20	DDGD	
CC[C@@H](C)n1nccc1C(=O)NNC(=S)Nc1ccccn1	1263894332	BBKPBJCVHMFWNX-SNVBAGLBSA-N	318.406	1.881	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc(C(C)(C)C)nn1	1345792316	RQWVXCTVDIBQAT-ZJUUUORDSA-N	321.381	1.352	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNc2ccc(C(C)(C)C)nn2)C1	1345127023	VNJBKDFAAKNFSV-PHIMTYICSA-N	307.398	1.968	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCCCC2)c1cccnn1	1262028508	QAQPIWWQNYYCJW-UHFFFAOYSA-N	316.386	1.882	50	20	DDGD	
N#CCOc1cccc(CNC(=O)NNc2ncccc2F)c1	1341938938	YCZXQZDOCABAOS-UHFFFAOYSA-N	315.308	1.949	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccn(CC(F)(F)F)n2)o1	1358010632	GWKMHBOVNSORBG-UHFFFAOYSA-N	316.239	1.422	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C23CCC(C(=O)O)(CC2)CC3)o1	1607733383	JVIONVPPSOGDDD-UHFFFAOYSA-N	320.345	1.774	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCSC[C@H]1C(=O)O	1603302915	OXNOSPZOIBJGPC-JGVFFNPUSA-N	324.240	1.825	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)[C@H]2CC2(Cl)Cl)cc1	1608780408	INSZFKZUYSGYRX-SECBINFHSA-N	303.145	1.951	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1cccc(CC(=O)O)c1	1602859476	MELDFPIGNICUOH-UHFFFAOYSA-N	307.350	1.903	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)Nc1cccc(C(=O)O)n1	1608482753	KOSYXQQZRXHAEL-UHFFFAOYSA-N	317.261	1.837	50	20	DDGD	
CC[C@H](C(=O)NNc1ccc(C(=O)O)c(Cl)c1)C(=O)OC	1609885144	XEVCZOVCUQIHDG-MRVPVSSYSA-N	314.725	1.681	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)c1cccc2ncnn12	1608828456	GSFQNMOZCKDTHP-UHFFFAOYSA-N	315.264	1.324	50	20	DDGD	
O=C(NCC1(C(=O)O)CCC1)NNc1cccc(C(=O)O)c1	1608425964	IBUJAJGQDMOBEP-UHFFFAOYSA-N	307.306	1.266	50	20	DDGD	
CSSCCNc1nc2ccccn2c1-c1nn[nH]n1	1605380291	IYGBYBKJKDFZEF-UHFFFAOYSA-N	307.408	1.938	50	20	DDGD	
COc1cc(NC(=O)NNc2cccc(C(=O)O)c2C)n(C)n1	1607178173	HUFBGNJYMVGHDK-UHFFFAOYSA-N	319.321	1.584	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1cc(C)cc(O)n1	1610287627	KXKWHQSDTAIGEN-UHFFFAOYSA-N	317.301	1.559	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccc(-c2ccccc2C(=O)O)o1	1610149716	OBTBVADKVULODT-UHFFFAOYSA-N	316.269	1.268	50	20	DDGD	
C[C@@H]1OC(C)(C)N[C@@H]1C(=O)NC[C@@]1(C)C[C@@H]1Br	1576895407	BRFACCOYJAPTIS-PHGLEFOZSA-N	305.216	1.389	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)C[C@@H]1NCc2ccccc21	1579788605	PESBAGSMSXJXMQ-INIZCTEOSA-N	309.369	1.991	50	20	DDGD	
C[C@H]1OC(C)(C)N[C@@H]1C(=O)NNc1nc2ccncc2s1	1576895646	DJEQJHWQVWUAAX-XCBNKYQSSA-N	307.379	1.247	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1C[C@@H](N)C1(C)C	1576294272	FYXUMMJLBLEGFH-OPQQBVKSSA-N	323.368	1.114	50	20	DDGD	
Cc1nc[nH]c1C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1580492645	YNZMLABXOTWDRF-UHFFFAOYSA-N	318.728	1.309	50	20	DDGD	
O=C([C@H]1C[C@H]1C1CC1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](F)Cl	1847487894	MMEYWHZLLWALPP-VLJOUNFMSA-N	314.788	1.769	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cocn2)C1	1842546025	NFSCKZRKKNFCNP-SNVBAGLBSA-N	311.769	1.509	50	20	DDGD	
COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)C(C)(C)C)C2	1846361397	RHFIGWPVUPGWTA-NSHDSACASA-N	316.829	1.490	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)c1c[nH]c(-c2nn[nH]n2)c1	1582562237	MAQFWTRXRUYHJO-UHFFFAOYSA-N	304.701	1.000	50	20	DDGD	
NCCNC(=O)NNc1cc(Cl)ccc1Br	1580312398	JJHFBRGBUXRGOE-UHFFFAOYSA-N	307.579	1.687	50	20	DDGD	
C#C[C@H](NC(=O)NNc1ccc(C(=O)O)c(F)c1)[C@@H]1CCCO1	1588374505	YIAAHUFHPKMYKQ-STQMWFEESA-N	321.308	1.331	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)C1(C(=O)O)CC=CC1	1593766259	JXGIVKPREIWOOK-UHFFFAOYSA-N	318.329	1.707	50	20	DDGD	
CCc1nc(C)ncc1C(=O)NNc1ncccc1C(=O)O	1593648604	LKVCVNMLVSFZLG-UHFFFAOYSA-N	301.306	1.198	50	20	DDGD	
O=C(O)[C@@H]1CN(S(=O)(=O)CCCCl)Cc2ccccc21	1594954868	CLNXXGSOYFACPS-GFCCVEGCSA-N	317.794	1.629	50	20	DDGD	
CN1CCC[C@@H](NC(=O)NNc2ccc(CC(=O)O)cc2)C1	1598593083	FEKNAURRCVQEKD-CYBMUJFWSA-N	306.366	1.034	50	20	DDGD	
COc1c(C(=O)NNc2ncccc2C(=O)O)ccnc1F	1594047330	RSOYUGCFOQPPCU-UHFFFAOYSA-N	306.253	1.079	50	20	DDGD	
O=C(O)/C=C/c1cc(C(=O)NN=c2cc[nH]c3cccnc23)co1	1594969467	YZSPGEMWBNDHQX-ONEGZZNKSA-N	324.296	1.499	50	20	DDGD	
O=C(NNc1cccc(F)c1Cl)c1c[nH]c(-c2nn[nH]n2)c1	1593167870	UULHEMMTVUOVFK-UHFFFAOYSA-N	321.703	1.744	50	20	DDGD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NNc1ccc(-c2nn[nH]n2)cc1	1590163579	JPWKHHTWVVCHMN-KOLCDFICSA-N	314.349	1.315	50	20	DDGD	
CNC(=O)NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1ccc(C)cc1	5244163	ACUDDFMYTLVLDS-KAQJVSAMSA-N	315.329	1.289	50	20	DDGD	
N#Cc1ccc(C(=O)O)c(C=NNC(=O)c2ccc(O)nc2)c1	1776094870	QLQTYMDDEPOONQ-UHFFFAOYSA-N	310.269	1.121	50	20	DDGD	
C[C@@H](Oc1ccc(C=NNC(=O)c2cnsn2)cc1)C(=O)O	1776104968	INDNAIYQMDCRDN-MRVPVSSYSA-N	320.330	1.154	50	20	DDGD	
CCc1cc(C(=O)O)c(C=NNC(=O)N=c2cc[nH]cc2)s1	1776078008	VIGZFTUIAGRRJC-UHFFFAOYSA-N	318.358	1.981	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=Cc2cn(CC3CC3)nn2)c1	1776096258	RRCWCAXEALDFFA-UHFFFAOYSA-N	313.317	1.150	50	20	DDGD	
CC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@H]1F	1799959998	SHAWMSFOXDMUPR-LIBFEPKXSA-N	316.804	2.000	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccc(Br)cc1F	15426916	LESZFJWDAGFWHW-UHFFFAOYSA-N	301.115	1.759	50	20	DDGD	
COc1ccsc1C(=O)NNC(=S)Nc1ccccn1	161619586	PAEUSFLFSXTTSC-UHFFFAOYSA-N	308.388	1.783	50	20	DDGD	
C#CCOc1ccc(C(=O)NNC(=O)NCc2ccco2)cc1	161818570	UNYSIBUPCVMOAC-UHFFFAOYSA-N	313.313	1.436	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cc(F)cc2cccnc12	160434322	GHYHJUTWIXIOCO-LBPRGKRZSA-N	303.293	1.314	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccnc(OCC(F)(F)F)c1	160690245	CFQMCMYTDTYVIP-UHFFFAOYSA-N	319.283	1.830	50	20	DDGD	
COc1ccc(NNC(=O)c2cccc(OCC(F)F)n2)nc1	159414357	NVOVIGUUGRKZTM-UHFFFAOYSA-N	324.287	1.886	50	20	DDGD	
CC(C)(C)OC(=O)N(CCNS(=O)(=O)CCl)C1CC1	830360997	ABNQCHKCAUUSNH-UHFFFAOYSA-N	312.819	1.502	50	20	DDGD	
CC(C)(C)CCCCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1	105253265	ICAIAFMDOKUEBI-CQSZACIVSA-N	319.471	1.584	50	20	DDGD	
C[C@@H](NC(=O)c1cccs1)C(=O)NNC(=O)CC(C)(C)C	103198667	DUTUNWWHAKZMDC-SECBINFHSA-N	311.407	1.450	50	20	DDGD	
CC(C)CCCNC(=O)NNC(=O)Cc1cn2ccccc2n1	175272659	CUXZHZBGAIVSES-UHFFFAOYSA-N	317.393	1.643	50	20	DDGD	
CCOC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2ccn(C)n2)o1	179420474	CFIVQMUSPMPWEN-CSKARUKUSA-N	314.301	1.735	50	20	DDGD	
Cc1ncc(/C=C/C(=O)NNC(=O)NCc2ccco2)s1	112278525	GYABDXVLEHCVET-SNAWJCMRSA-N	306.347	1.588	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@H](C(C)C)N(C)C)cc1	106426107	YBNPYUVTPZVNTN-HNNXBMFYSA-N	323.462	1.821	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1csc(-c2ccoc2)n1	108255005	YKIYLPCAVUBGLC-UHFFFAOYSA-N	302.315	1.806	50	20	DDGD	
Cc1csc(CCCCNC(=O)NNc2ncccn2)n1	66204752	ZLBLSLJWYXZVNM-UHFFFAOYSA-N	306.395	1.891	50	20	DDGD	
Cc1cc(O[C@@H](C)C(=O)NNC(=O)CN(C)C)ccc1Cl	113424836	BBKBPWSEMPSBSU-JTQLQIEISA-N	313.785	1.125	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1c[nH]c2ccc(F)cc12	115346332	OAJSDPMULCIASS-UHFFFAOYSA-N	322.340	1.216	50	20	DDGD	
CCc1ccc(O)c(C(=O)NNc2nc(C)cc(OC)n2)c1	175389562	QQWXENPRSXLFDJ-UHFFFAOYSA-N	302.334	1.819	50	20	DDGD	
CC1(C)CCC[C@H](C(=O)NNC(=O)C(=O)Nc2ccccn2)C1	179017015	SQZOLOPIYDCARF-NSHDSACASA-N	318.377	1.384	50	20	DDGD	
COC1CCC(CC(=O)NNC(=O)Cc2ccncc2)CC1	119536069	OHQYVOOEFGXOFJ-UHFFFAOYSA-N	305.378	1.367	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)Cn2nc(C)cc2C)cc1	23234876	DFAQWIZGBWYTSP-UHFFFAOYSA-N	317.349	1.361	50	20	DDGD	
CC[C@@H](C)C[C@H](C)NC(=O)NNC(=O)CNC(=O)c1ccco1	176229637	BDWPYDOTXYRWET-MNOVXSKESA-N	324.381	1.165	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNC(=O)COc1ccccc1F	68516519	NSFDGOKOYHHYSW-LLVKDONJSA-N	312.341	1.557	50	20	DDGD	
COCC(=O)NN[C@H](C(=O)N1CCCCC1)c1ccccc1	126079916	KVIBFSRRPUFLIO-HNNXBMFYSA-N	305.378	1.007	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccccc2)nc(C(F)(F)F)n1	189411805	UMXUREFMWPOLAG-UHFFFAOYSA-N	324.262	1.879	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)Cc2ccncc2)cc1F	182786147	HTIGJRIHVFDGLV-UHFFFAOYSA-N	302.309	1.925	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)nc2)c(O)c1	77248417	DUAUVFRFUGAWLN-UHFFFAOYSA-N	305.721	1.824	50	20	DDGD	
CC(C)(C)C[C@@H](CO)NC(=O)NNC(=O)c1ccc(C#N)cc1	180861450	SQEJJBQTGQFEIO-ZDUSSCGKSA-N	318.377	1.299	50	20	DDGD	
C[C@H]1CCC[C@H](NC(=O)NNC(=O)Cc2cccnc2)CC1	187976535	CCKKZCSMQGMOIK-JSGCOSHPSA-N	304.394	1.923	50	20	DDGD	
Cn1nnc2cc(C(=O)NNc3cc(F)c(F)c(F)c3)cnc21	183435796	PZOTURVXOOFJAS-UHFFFAOYSA-N	322.250	1.538	50	20	DDGD	
CS(=O)(=O)c1ccc(C(=O)NNc2ccnc(F)c2)cc1	182494035	LCGXYMYKFAPUGM-UHFFFAOYSA-N	309.322	1.381	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H](C)N1CCN(C)CC1	185739136	OAHWEQSJXYNHPY-NSHDSACASA-N	323.349	1.145	50	20	DDGD	
COC(=O)CCCC(=O)NNC(=O)CCCc1ccccc1	131116712	QIXBTZOSYMBKLG-UHFFFAOYSA-N	306.362	1.500	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1cnc(C2CC2)nc1	184925315	FDGVWZQRZFLRSY-UHFFFAOYSA-N	312.333	1.144	50	20	DDGD	
Cc1nn(CC(C)C)c(C)c1CCC(=O)NNC(=O)N(C)C	194928048	VUEYMBGGJRRVEQ-UHFFFAOYSA-N	309.414	1.391	50	20	DDGD	
Cc1ccc(OCC(=O)NNc2cc(Cl)nc(N)n2)c(C)c1	134004705	IMEGOXISBVHYRA-UHFFFAOYSA-N	321.768	1.851	50	20	DDGD	
O=C(CC[C@@H]1Cc2ccccc2NC1=O)NNC(=O)NC1CC1	138644479	BAWZEXSXGGPBDO-LLVKDONJSA-N	316.361	1.070	50	20	DDGD	
O=C(CSCc1cccnc1)NNC(=O)c1ccncc1	192478461	BDNODOGMYGWPMY-UHFFFAOYSA-N	302.359	1.171	50	20	DDGD	
Cc1noc(C)c1CNC(=O)NNc1nc2ccccn2n1	191631356	NDFQZZALSDOABV-UHFFFAOYSA-N	301.310	1.160	50	20	DDGD	
O=C(NNS(=O)(=O)CCCCCl)NC1CCCCC1	190715826	CNIBCMZGIBIQHE-UHFFFAOYSA-N	311.835	1.472	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1ccc2c(c1)OCCO2	198897412	TYUZDQRQOMUFRT-UHFFFAOYSA-N	304.346	1.799	50	20	DDGD	
COc1ncccc1NC(=O)NNC(=O)CCc1ccccc1	195147213	KYLWVAFDOHIIHK-UHFFFAOYSA-N	314.345	1.876	50	20	DDGD	
CC(=O)N1CCc2cc(NC(=O)NNc3cnccn3)ccc21	92224422	URDMFGMYMNYKGG-UHFFFAOYSA-N	312.333	1.534	50	20	DDGD	
C[C@@H]1Oc2c(cccc2C(=O)NNC(=O)OC(C)(C)C)NC1=O	264289179	PIBWXCIBQJWQLP-QMMMGPOBSA-N	321.333	1.576	50	20	DDGD	
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NNC(=O)c1ccccc1	268106988	GYDPUTKYELQNNB-RISCZKNCSA-N	302.378	1.113	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)o1	268106805	BJXPBSOQFVXBTK-BXKDBHETSA-N	306.366	1.015	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)CCOC(C)C)c1	264033811	SWRRFDWQECLNNY-UHFFFAOYSA-N	309.366	1.070	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1oc2ccccc2c1CN(C)C	271241060	AFLXSUPOSBPUOQ-UHFFFAOYSA-N	318.377	1.801	50	20	DDGD	
COC(=O)c1cc(OC(=O)C2(C(=O)OC)CC2)ccc1[N+](=O)[O-]	274301490	HTAZZCRIGNNAMV-UHFFFAOYSA-N	323.257	1.240	50	20	DDGD	
CCOC(=O)C[C@@H](C)CNC(=O)NNc1cccc([N+](=O)[O-])c1	270486765	FNJDHVBHADRTMY-SNVBAGLBSA-N	324.337	1.810	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1cscc1C	273480606	UMBBMSSJPFFZPH-SECBINFHSA-N	301.368	1.261	50	20	DDGD	
CC[C@@H](C)Oc1cc(C(=O)NNc2nccc(OC)n2)ccn1	272065774	UQKPEDCDIBJEKE-SNVBAGLBSA-N	317.349	1.814	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc(OCCC(N)=O)cc1	271371097	JDNRXSZAWXSQPO-UHFFFAOYSA-N	322.365	1.140	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)Cc2c(C)n[nH]c2C)cc1	274883728	JHCBOMKUIVFILX-UHFFFAOYSA-N	315.377	1.137	50	20	DDGD	
CS(=O)(=O)c1ccc(NNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc1	377999549	OVAIECSGUIIBOS-LEWSCRJBSA-N	324.402	1.348	50	20	DDGD	
CC(C)(C(=O)NNc1cc(Cl)nc(N)n1)C1CCOCC1	280260411	NXRZCQFQSLHPSF-UHFFFAOYSA-N	313.789	1.608	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)c1	371572078	QRSCAUUTZWXNNQ-UONOGXRCSA-N	314.345	1.454	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NNc1cccc(F)c1[N+](=O)[O-]	286902172	BSSSJXYSBAHEFM-GFCCVEGCSA-N	324.312	1.578	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)Nc1ccccc1)N1CCCC1=O	283783938	RUQUTFUEOIBOHN-AWEZNQCLSA-N	318.377	1.486	50	20	DDGD	
COC1(C(=O)NNC(=O)c2cccc(Cl)c2)CCOCC1	284412030	RRIKEOFKCBYOIQ-UHFFFAOYSA-N	312.753	1.297	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(S(=O)(=O)C(C)C)cc1	288543347	YAKJLMYHUUMFSI-UHFFFAOYSA-N	314.407	1.092	50	20	DDGD	
CCN(CC)C(=O)CSCC(=O)NNC(=O)c1ccccc1	298210904	LEPBMCIZYDAOCS-UHFFFAOYSA-N	323.418	1.049	50	20	DDGD	
Cn1c(NNC(=O)c2cccnc2F)nc2ccccc2c1=O	806852372	GBWYKXBAYCCCEH-UHFFFAOYSA-N	313.292	1.225	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C[C@H]1CCCC(=O)N1	290813534	GILIMECHHGDVDC-SNVBAGLBSA-N	306.322	1.405	50	20	DDGD	
COc1ccc2c(c1)OCCN(C(=O)NNC(=O)C(C)(C)C)C2	801750444	UPNRAIRICIMDEN-UHFFFAOYSA-N	321.377	1.677	50	20	DDGD	
COc1ccc(CC(=O)NN=c2cc[nH]c3ccccc23)nc1	806810923	IAXIUNRBJUPCTR-UHFFFAOYSA-N	308.341	1.746	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccc(Cl)cc1F)NC1CC1	291417552	CWPBTHIQOMYSLE-SNVBAGLBSA-N	301.705	1.005	50	20	DDGD	
Cc1ccc2[nH]cc(C(=O)NNc3ncc(F)cn3)c(=O)c2c1	804515615	KSBBGWCHTFGHQZ-UHFFFAOYSA-N	313.292	1.523	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)CCOCCOC)cc1C	291147507	IEGUEYIHMOISPU-UHFFFAOYSA-N	324.377	1.668	50	20	DDGD	
C[C@@H]1CC(CCNC(=O)NNC(=O)c2ccc[nH]2)C[C@@H](C)O1	802511225	VEDJWURQQANIAG-GHMZBOCLSA-N	308.382	1.552	50	20	DDGD	
O=C(/C=C/c1ccccc1F)NNc1ccc(-n2ccnc2)nn1	804956421	MWASMWLTEWSLCH-VMPITWQZSA-N	324.319	1.958	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNc1cccc(F)c1[N+](=O)[O-]	290280875	ZAZZARDXWMJIJT-MRVPVSSYSA-N	313.285	1.766	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccnc(N2CCC[C@@H](C)C2)c1	291568260	SKVHJDFYJCLZJA-GFCCVEGCSA-N	319.409	1.670	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNC(=O)c1c[nH]c2ccccc12	298917197	AXTSRJCSPNVRGJ-NSHDSACASA-N	319.361	1.371	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C[C@@](C)(O)C2CC2)cc1	802059982	BHAVKKQHDHOEBA-OAHLLOKOSA-N	307.350	1.399	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NNC(=O)c2c(C)coc2C)c1	807115528	BHRGXYAAOFFOES-UHFFFAOYSA-N	316.317	1.325	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cc2ccccc2c(=O)o1	802031524	GQTSLTMLTHYHRG-UHFFFAOYSA-N	324.296	1.076	50	20	DDGD	
CO[C@](C)(C(=O)NNc1nc(-c2ccncc2)no1)C1CC1	291789227	XNZINIVIDBYXTN-AWEZNQCLSA-N	303.322	1.390	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(Cl)cc(OC)c1	292844417	FLVUUEPIPQFIQR-UHFFFAOYSA-N	315.757	1.329	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2cccc(C#N)n2)c1	809933862	XULKJVIYOXJSOO-UHFFFAOYSA-N	324.340	1.410	50	20	DDGD	
Cc1cccc(CCCNC(=O)NNC(=O)[C@H]2CCCCO2)n1	296728027	WYCGMBJHVNTBBQ-CQSZACIVSA-N	320.393	1.222	50	20	DDGD	
COc1ccnc(NNC(=O)NCC[C@@]2(O)C[C@H]3CC[C@H]2C3)n1	813786495	KQENPTFOYRTYJI-ZIBATOQPSA-N	321.381	1.053	50	20	DDGD	
CC[C@@](O)(C(=O)NNc1cnnn1C)c1cccc(Cl)c1	816771231	CXOVABMXDQTEJA-ZDUSSCGKSA-N	309.757	1.209	50	20	DDGD	
Cc1ccc(C(=O)NNc2ncncc2F)cc1S(C)(=O)=O	817081812	FFAALYWZMJXYKK-UHFFFAOYSA-N	324.337	1.085	50	20	DDGD	
Cc1cccnc1NNC(=O)c1nn(C)cc1Br	816467572	FBVYFBRIKUCDHC-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
Cc1cc(C(F)(F)F)nn1CC(=O)NNC(=O)C1CCCC1	810097654	KGGJPSCVYYMBBL-UHFFFAOYSA-N	318.299	1.548	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=C1CCOc2c(F)cc(F)cc21	814957217	CJVCFZYHASUPNO-UHFFFAOYSA-N	306.272	1.533	50	20	DDGD	
COc1ccc(CCC(=O)NN=Cc2cnn(C)c2N)cc1	814813462	PEGQCZPCOCYZFK-UHFFFAOYSA-N	301.350	1.094	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)[C@H](F)C(F)(F)F	811455479	ILGHSRJZRASMIU-QMMMGPOBSA-N	304.207	1.006	50	20	DDGD	
COc1cc(Cl)cc(C(=O)NNC(=O)c2cc(C)[nH]n2)c1	815886746	HSEDXNZGYUYUCT-UHFFFAOYSA-N	308.725	1.455	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@H]2CCCOC2)cc1OC	727723483	PNMHNRNVHRGSDO-LBPRGKRZSA-N	322.361	1.282	50	20	DDGD	
CN(NC(=O)[C@@H]1Cc2cc(Br)ccc2O1)C1CC1	819652603	XCHDXLSHZZUURE-LBPRGKRZSA-N	311.179	1.878	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2c(Cl)nc(Cl)n2C)n[nH]1	814788000	XMIRCDJEZKPACA-UHFFFAOYSA-N	315.164	1.451	50	20	DDGD	
COc1cnc(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)nc1	815855875	LPHDZZIMSQIFIW-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CSCCS1	826446618	RWWIYVQLXDRLGV-JTQLQIEISA-N	322.419	1.158	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@](C)(C#N)CC(=O)O)c1ccccc1	820261425	KTFRZQXOODLLOP-MLGOLLRUSA-N	317.345	1.332	50	20	DDGD	
CCOc1ncccc1NC(=O)NNC(=O)c1ccncc1	726870776	NDEHUFFCLZCQGN-UHFFFAOYSA-N	301.306	1.342	50	20	DDGD	
CC(C)(C)OC(=O)NC1(C(=O)NNc2ncccn2)CCC1	496305357	IVEUYSSLDLEOQH-UHFFFAOYSA-N	307.354	1.367	50	20	DDGD	
CN(CCc1ccccc1)CC(=O)NNc1ncc(F)cc1F	823479147	BEULACLXIYAHIF-UHFFFAOYSA-N	320.343	1.977	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccsc1Br	827691350	WWKOVFHKBKSOPR-UHFFFAOYSA-N	306.185	1.817	50	20	DDGD	
Cc1nn(-c2cccc(F)c2)cc1C(=O)NN(C)[C@H](C)CO	823918309	USTMVIPXOYFRNF-SNVBAGLBSA-N	306.341	1.277	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC[C@@H]1c1cccnc1	827298928	KOTPIJOCFOVCAT-IACUBPJLSA-N	318.377	1.384	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1	496763107	IVYYLPGFLWNXBD-VIFPVBQESA-N	307.133	1.756	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@@H](c1ccccc1)N1CCCCC1=O	823960117	WCTAJEIAMZFLEL-CZUORRHYSA-N	319.405	1.084	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1CCc2ccc(F)cc21	825947184	HBKOZVJYXRKEBR-WFBYXXMGSA-N	321.352	1.568	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cn2ccnc2C(C)C)c1	821796245	FUYHCCJDBSHTCF-UHFFFAOYSA-N	316.361	1.936	50	20	DDGD	
Cc1cc(C=NNC(=O)CNC(=O)c2ccco2)ccc1F	729145520	TXJUFZPKCUMLBY-UHFFFAOYSA-N	303.293	1.607	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2ccc3c(=O)[nH]ccc3c2)CO1	828439341	GNTVBFUXSFMHLJ-CABZTGNLSA-N	302.334	1.332	50	20	DDGD	
N#CC1=CCN(C(=O)CCc2ccc(-c3nn[nH]n3)cc2)CC1	826380711	KCMSPMGIYVBSSG-UHFFFAOYSA-N	308.345	1.482	50	20	DDGD	
CC(C)C[C@@H](NC(=O)O)C(=O)NNc1ncccc1[N+](=O)[O-]	826800295	JAAQJNYNGWQBBG-MRVPVSSYSA-N	311.298	1.115	50	20	DDGD	
COc1cccc(C2(NCC(=O)NNC(=O)C(C)C)CC2)c1	828698943	QIHLLZWXNUELQT-UHFFFAOYSA-N	305.378	1.077	50	20	DDGD	
C[C@H](CBr)COC(=O)Cc1nc(C2CC2)nn1C	829913998	SOODHDSFWTYRFY-MRVPVSSYSA-N	316.199	1.809	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNc1ncccc1C(F)(F)F	494300673	VNKZQFQGSYUGTL-LURJTMIESA-N	306.244	1.288	50	20	DDGD	
Cc1ccc(C2(C(=O)NN(C)[C@H](C)CO)CCOCC2)cc1	823959742	OSEMJMIMFGOLFR-CQSZACIVSA-N	306.406	1.387	50	20	DDGD	
Cc1cc(C)c(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(C)c1	825807325	BSRDWUYSAXMWQR-KGLIPLIRSA-N	319.405	1.867	50	20	DDGD	
CC[C@@H](O)[C@H](C)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	908050373	WBVQRBYWPSPHEB-WRWORJQWSA-N	301.293	1.525	50	20	DDGD	
COc1ccc(NNC(=O)/C=C\c2cnc(OC)nc2)nc1	492703636	KJPPUPAIDGTMEJ-UTCJRWHESA-N	301.306	1.045	50	20	DDGD	
CC(C)CCSCc1nc(-c2cccc(B(O)O)c2)no1	585051557	JEBVROUANOUYRJ-UHFFFAOYSA-N	306.196	1.696	50	20	DDGD	
C[C@@]1(C(=O)N2CCC(C3OCCO3)CC2)C[C@@H]1Br	906500509	RAHDCEWXLXCNNP-GXFFZTMASA-N	318.211	1.771	50	20	DDGD	
C[C@H](NCc1cccc(B(O)O)c1)c1ccccc1OC(F)F	585015401	YUZFFXPWMNOWBZ-NSHDSACASA-N	321.132	1.819	50	20	DDGD	
OB(O)c1cccc(CNc2cccc(CN3CCCCC3)c2)c1	585012143	NQWIBJYNBYAPIA-UHFFFAOYSA-N	324.233	1.964	50	20	DDGD	
O=C(NC[C@@H]1CCCC(F)(F)C1)c1cc(B(O)O)ccc1F	584986787	NAUPVIDXMLOFFZ-SECBINFHSA-N	315.100	1.061	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NC[C@H](CO)C(C)C)cc(C#N)n1C	490944654	XEBBWXYMDFYDTD-NUKWSGDCSA-N	314.389	1.493	50	20	DDGD	
CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NNC(C)=O)O[C@H](C)C2	730585573	YOUOEFKQURYRGR-LQJRIPTKSA-N	318.373	1.680	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NNC(=O)CC(C)(C)C2CC2)c1	827148645	NJSANUPWKIDFOZ-UHFFFAOYSA-N	318.377	1.627	50	20	DDGD	
CC(C)[C@@H](CNC(=O)c1ccc(B(O)O)cc1)c1ccccc1	584927672	APGQLJHSNUHLAB-QGZVFWFLSA-N	311.190	1.536	50	20	DDGD	
CCC[C@@H](NC(=O)c1cc(B(O)O)ccc1F)C1CCCC1	585002534	YCDCDWVJPRQCJZ-OAHLLOKOSA-N	307.174	1.594	50	20	DDGD	
CC[C@H]1c2ccccc2CCN1C(=O)c1cccc(B(O)O)c1	584946957	CEYUNMDLPBZJNP-KRWDZBQOSA-N	309.174	1.516	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H](C)Cc2cnn(C)c2)c1	837491232	YMDQMSZZBUEUNJ-JTQLQIEISA-N	306.341	1.890	50	20	DDGD	
COC(=O)CCc1ccccc1C(=O)NNC(=O)C(C)(C)C	900220620	BCOUEUUHDPOKNU-UHFFFAOYSA-N	306.362	1.599	50	20	DDGD	
N#Cc1ccc(CNC(=O)NNC(=O)[C@H]2CCCCO2)c(F)c1	838317968	JAEZMQDBBLEAJE-CYBMUJFWSA-N	320.324	1.097	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCOc3c(F)cccc32)cc1	585037211	UQWQJKHSGNLPJR-OAHLLOKOSA-N	301.126	1.119	50	20	DDGD	
CC(C)(C(=O)NN[C@@H](C(N)=O)c1ccccc1)c1ccccc1	731219401	RYIKNSWQSHHXSO-OAHLLOKOSA-N	311.385	1.812	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)c1ccc(-c2nn[nH]n2)nc1	738137486	OKYNLNDDZJSOTA-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
Cc1cc(C)c2c(c1)N(C(=O)c1cccc(B(O)O)c1)CCC2	584939951	OSYKABFSLPWYEH-UHFFFAOYSA-N	309.174	1.576	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1cccc2c1OCCCO2	735410652	PWECUOFXUNDDJL-UHFFFAOYSA-N	300.318	1.643	50	20	DDGD	
COCCOCCC(=O)NNc1ccc(F)c(C(=O)OC)c1	837034303	LTRIOIZLPDHPDE-UHFFFAOYSA-N	314.313	1.109	50	20	DDGD	
C#CCOc1ccc(CNC(=O)NNC(=O)CC(C)(C)C)cc1	836611785	QJAVBXXLXKNZBH-UHFFFAOYSA-N	317.389	1.965	50	20	DDGD	
C[C@@H]1C[C@H]1[C@@H](NC(=O)c1ccc(B(O)O)cc1)c1ccccc1	584951263	MNRUPIYXEVEORM-JLZZUVOBSA-N	309.174	1.494	50	20	DDGD	
Cc1cc(C(=O)NN[C@H](C(=O)O)c2ccc(C#N)cc2)c(C)o1	738333047	ZRCMNPQRBYGRNA-AWEZNQCLSA-N	313.313	1.828	50	20	DDGD	
CC(C)[C@@]1(C)C[C@H]1NC(=O)NNC(=O)c1cccc(C#N)c1	838768300	ZUHNTMFSKWTOQW-CZUORRHYSA-N	300.362	1.937	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)N[C@H]1CCC[C@@H]2C[C@H]12	838774138	GSUFKXXOIDHVPT-XBFCOCLRSA-N	305.353	1.887	50	20	DDGD	
C[C@@H]1CCC[C@H]1NC(=O)NNc1cccc(-c2nn[nH]n2)c1	736265053	YTLCDAWXTUJPBC-BXKDBHETSA-N	301.354	1.681	50	20	DDGD	
C[C@]1(C(=O)N2CC[C@@H](N3CCCC3)C2)C[C@H]1Br	906524681	XZZCPWDIEARVTO-WZRBSPASSA-N	301.228	1.857	50	20	DDGD	
COCCCN(C)CCNC(=O)[C@]1(C)C[C@@H]1Br	906804364	WJVQITLAIBVNRP-CMPLNLGQSA-N	307.232	1.244	50	20	DDGD	
O=C(C[C@@H](c1ccccc1)C(F)(F)F)N1CC[C@@H](B(O)O)C1	585066794	PUAVWABEWBYFQR-NEPJUHHUSA-N	315.100	1.798	50	20	DDGD	
O=C(CCc1ccco1)NNC(=O)[C@@H]1CCC[C@H](C(=O)O)C1	833103521	PNFJGLCNVJPHKS-MNOVXSKESA-N	308.334	1.251	50	20	DDGD	
C[C@]1(C(=O)N2CCC(O)(C(F)F)CC2)C[C@H]1Br	907543329	DFZTVYGGXLBOQK-XCBNKYQSSA-N	312.154	1.779	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)[C@H]3CCCCO3)cc2s1	833241519	BJUWPAQWLAQOAZ-GFCCVEGCSA-N	319.386	1.935	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)[C@H](C)Oc2ccc(F)cc2)n1	834928543	PCBANNWWAMXVSS-NSHDSACASA-N	319.340	1.663	50	20	DDGD	
O=S(=O)(CCl)NC[C@@H](O)c1ccc(C(F)(F)F)cc1	831539857	ZGONVAFDKFPUNH-SECBINFHSA-N	317.716	1.855	50	20	DDGD	
CCO[C@H]1C[C@H](NC(=O)c2cccc(B(O)O)c2)C1(CC)CC	584960468	LMCXJDSHXSDPGD-GJZGRUSLSA-N	319.210	1.080	50	20	DDGD	
COCCCOCCC(=O)NNc1ncnc2ccsc12	830430467	HKHYOXCTPRXKLM-UHFFFAOYSA-N	310.379	1.578	50	20	DDGD	
OB(O)c1ccc(CNc2cc(F)ccc2OCC2CC2)o1	585038309	ZNHVIWJYYBCFFV-UHFFFAOYSA-N	305.114	1.499	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCOCC2CCCC2)n1	836673065	WCCIFCYRTKMPIR-UHFFFAOYSA-N	307.398	1.926	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2C[C@H]2c2cncn2C)cccc1[N+](=O)[O-]	830810718	RVSXQXVQJALXSD-GHMZBOCLSA-N	315.333	1.884	50	20	DDGD	
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NNC(=O)C2CCCC2)C1	739670011	CFYAUICSJFXRTH-GHMZBOCLSA-N	303.428	1.020	50	20	DDGD	
COCCN(C)NC(=O)c1cccc(Br)c1O	837627620	XBSFMZAAEUINEC-UHFFFAOYSA-N	303.156	1.378	50	20	DDGD	
O=C(NCc1nc(C2CC2)no1)NNc1ncc(F)cc1F	837738267	JGXFGBOEYWLERQ-UHFFFAOYSA-N	310.264	1.447	50	20	DDGD	
CC(C)(O)CCNC(=O)NNc1cccc(Br)n1	838560376	WNVCHLBZMBTWPS-UHFFFAOYSA-N	317.187	1.631	50	20	DDGD	
CCOC(=O)N1CCC([C@@H](C)NS(=O)(=O)CCl)CC1	831158916	NMNKHMBRTRUEOR-SECBINFHSA-N	312.819	1.359	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2cccc(O)c2O)c1	915928813	ZUNXSNCZVRAKLS-UHFFFAOYSA-N	300.314	1.935	50	20	DDGD	
COc1cc(C=NNC(=O)CC(F)(F)F)c([N+](=O)[O-])cc1O	917550205	AQDLTGYSSKKGCA-UHFFFAOYSA-N	321.211	1.712	50	20	DDGD	
O=C(CCCc1nc(C2CC2)no1)NNC(=O)CC(F)(F)F	740083690	LHSHJINTXWLWFO-UHFFFAOYSA-N	320.271	1.370	50	20	DDGD	
O=S(=O)(CCCCCl)NCc1nc([C@@H]2CCCO2)n[nH]1	848470110	BXYZMCDSLGIKEZ-VIFPVBQESA-N	322.818	1.095	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(F)c(F)c1)c1nnc2n1CCC2	917458759	SJLGKWCCMXUPJG-MRVPVSSYSA-N	322.319	1.890	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)c2c[nH]nc2C)cc1	743300445	DYGCXFWYEGGCKT-UHFFFAOYSA-N	319.390	1.748	50	20	DDGD	
COc1cccc2c1NC(=O)C2=NNC(=O)NCC(F)(F)F	842524482	RFRLAQGSBFRXCQ-UHFFFAOYSA-N	316.239	1.213	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1)c1ccc[nH]1	916372061	NLODNPIHMFYVQH-AGIUHOORSA-N	306.410	1.600	50	20	DDGD	
Cn1ccnc1[C@H](CC(=O)NN=c1cc[nH]cc1)C(F)(F)F	847689522	ASPDCWDJVABVRD-JTQLQIEISA-N	313.283	1.416	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1C	843639837	KCJKWSVMZQRYED-WDEREUQCSA-N	307.350	1.020	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@H]1CCO[C@@H](c2ccccc2)O1	847620143	HLYQGZXWBHHOMN-TZMCWYRMSA-N	318.308	1.563	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=C1COC(C)(C)C1	841614022	DZAMSSCOHNASCM-YNEHKIRRSA-N	311.426	1.403	50	20	DDGD	
O=C(CCCn1cnc2ccccc21)NNC(=O)c1cccnc1	916094924	LRFAZRAXJRKSSY-UHFFFAOYSA-N	323.356	1.673	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ccc(-n2cccn2)c(F)c1	743808109	QPJPGDZFTADSNI-UHFFFAOYSA-N	317.324	1.964	50	20	DDGD	
C#CCCOc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	843660543	LLFDGBAMPMRAGF-WFASDCNBSA-N	316.357	1.275	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccccc1C(F)(F)F	841003545	YLVHGWICEJLTPM-UHFFFAOYSA-N	304.272	1.597	50	20	DDGD	
O=C(NNC(=O)c1ccc(C(F)(F)F)cn1)c1ccccn1	844239755	BXQIQDJOHBRPFS-UHFFFAOYSA-N	310.235	1.570	50	20	DDGD	
O=C(C[C@@H]1CCCC(=O)N1)NNc1ccc(F)c([N+](=O)[O-])c1	842247351	GOYJYPQXUJBQOI-QMMMGPOBSA-N	310.285	1.236	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)COc2ccc(F)cc2)o1	915949176	CZELPHOPILNIJM-UHFFFAOYSA-N	320.276	1.734	50	20	DDGD	
NC(=O)[C@@]1(NC(=O)CCCC[C@@H]2CCSS2)CCOC1	848320657	ZJHYJYDZMIKGNO-ZWNOBZJWSA-N	318.464	1.461	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc(N)c([N+](=O)[O-])c2)n1	747980647	UAWJMYUWCSQRTQ-UHFFFAOYSA-N	322.712	1.686	50	20	DDGD	
C[C@H](Cc1cnc[nH]1)C(=O)NNC(=O)NCCc1cccs1	847390715	KKWVDUUZXDVAGG-SNVBAGLBSA-N	321.406	1.223	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2ccc3c(c2)OCCO3)cs1	916317289	HJDQGTHJGIPSRC-UHFFFAOYSA-N	317.370	1.916	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C[C@@H]2CCOC2)c1	740177311	OGODQFVAYATORW-LBPRGKRZSA-N	303.387	1.412	50	20	DDGD	
NC[C@@H]1CCCC[C@H]1NC(=O)NNc1ncnc2ccsc12	841952576	CFCMFTXRYQBWFS-VHSXEESVSA-N	320.422	1.835	50	20	DDGD	
CO[C@@](C)(C(=O)NNc1ncc(Br)cn1)C1CC1	848322725	LZZLMBPKFMTNQE-LLVKDONJSA-N	315.171	1.497	50	20	DDGD	
Cc1cc(C)c(NNC(=O)C[C@@H]2CCS(=O)(=O)C2)c(C)c1	743765086	XFCJZUIZVVZEDX-ZDUSSCGKSA-N	310.419	1.880	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCCCN1CCNCC1	841919699	OLPDAXBFNDXETD-UHFFFAOYSA-N	319.453	1.479	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(Br)o1	843641075	RCYRWFJZBUZFAQ-NKWVEPMBSA-N	317.139	1.228	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H]2CCCNC2)c1F	841923832	PYFKBRWGVYWXLP-JTQLQIEISA-N	324.356	1.238	50	20	DDGD	
CN(CCN1CCCCC1)C(=O)/C(C#N)=C\c1cnn(C)c1	846611540	CFUNVFSZYZKZBI-GDNBJRDFSA-N	301.394	1.271	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccccc1F)c1cnn(C)c1	743632499	HDFFRIMPYMLMFK-VIFPVBQESA-N	305.313	1.264	50	20	DDGD	
CC1CCN(C[C@@H](C)C(=O)NNC(=S)NCC2CC2)CC1	849252996	QTMZYMKMIOESER-GFCCVEGCSA-N	312.483	1.260	50	20	DDGD	
COC(=O)c1cc(NNC(=O)N[C@H]2COC[C@H]2C)ccc1F	926017573	IGUVFOIISJQHHM-PELKAZGASA-N	311.313	1.273	50	20	DDGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)[C@@]1(O)CCOC1	840401396	JKIOIXPHUVIEQW-LLVKDONJSA-N	306.240	1.180	50	20	DDGD	
N#C/C=C/Cn1nnc([C@@H]2CN(Cc3ccccc3)CCO2)n1	840196626	SJVULSWJPBAFCS-RGDDUWESSA-N	310.361	1.326	50	20	DDGD	
C[C@H](OCc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843663622	YZBCSSVSYSXLBN-UHIISALHSA-N	324.352	1.303	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=C1CCN(CC(F)(F)F)CC1	842555292	LJRCBJFNOGPFMH-KOLCDFICSA-N	307.316	1.542	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1cccc2c1OCCO2	756150161	OUBVTAIDISZPSU-UHFFFAOYSA-N	319.239	1.563	50	20	DDGD	
COC(=O)N(C)CCNC(=O)NNc1ccc(Cl)cc1C	923308492	KKVMAJVEZIJQCP-UHFFFAOYSA-N	314.773	1.973	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)c1cccc(N(C)C)c1)C1CC1	858158296	DXUYPBQDBISXHU-AWEZNQCLSA-N	305.378	1.329	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCc2ccon2)cc1C	854192002	ZGQFGEDCYVANNU-UHFFFAOYSA-N	317.345	1.450	50	20	DDGD	
CCC[C@H](O)CC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	750315204	WUUBEFNVKZFXFT-AWEZNQCLSA-N	316.361	1.184	50	20	DDGD	
O=C(NCC1CC1)NN=Cc1cc2c(cc1[N+](=O)[O-])OCCO2	920828363	GBGUVIAICCXRLP-UHFFFAOYSA-N	320.305	1.409	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H]1CCN(C2CCCCC2)C1=O	856439235	MBCAKNOVTJOJEV-NYHXXUGCSA-N	305.378	1.480	50	20	DDGD	
CCNC(=O)NNC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1	751534688	OKWHHZNEEXMSGX-JTQLQIEISA-N	314.386	1.030	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cccc(C#Cc2ccccn2)c1	756511909	SDMHRQKEQPMBQF-UHFFFAOYSA-N	324.340	1.281	50	20	DDGD	
CC/C(=C\C(=O)NN(C)C(=S)NC)c1ccc(OC)cc1	854922795	HSUKWLHYYFGGLI-ZHACJKMWSA-N	307.419	1.956	50	20	DDGD	
Cc1cc(F)ccc1-n1cc(O)c(C(=O)NNC(=O)C(C)C)n1	751297837	KUFLIWJBXCKUNB-UHFFFAOYSA-N	320.324	1.442	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2cncn2C)o1	755674754	SGPAJEXLPHORTG-UHFFFAOYSA-N	303.366	1.619	50	20	DDGD	
Cc1noc([C@H](C)NC(=O)NC[C@]2(C)C[C@@H]2Br)n1	856838465	CFOZPDYHWWAIOT-RASWFIQWSA-N	317.187	1.912	50	20	DDGD	
N#CSCCCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2	854361073	MSZZJOZREIHMNE-UHFFFAOYSA-N	309.303	1.658	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@]2(C)CCOC2)cc1	754352317	ZRCXSPCKLWIELZ-OAHLLOKOSA-N	308.403	1.661	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2c[nH]nc2C)c(C)c1	756319915	LCWKVEJAMORXST-UHFFFAOYSA-N	303.322	1.502	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)COc2ccc(C)c(C)c2)[nH]1	856722619	ONGKTOXXYVPQMM-UHFFFAOYSA-N	316.361	1.483	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1C	854930008	ZPJVRSGZUVWOBB-VIFPVBQESA-N	315.826	1.883	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCOCC(F)(F)C(F)(F)F	854919686	BCNMTEKGTATOCL-UHFFFAOYSA-N	323.287	1.058	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccn(-c3ccccc3)n2)o1	756963709	XQSHSZUFJRPTSE-UHFFFAOYSA-N	324.340	1.777	50	20	DDGD	
CC(C)(C)[C@@H](C(=O)O)C(=O)NNc1nc(-c2ccncc2)no1	852952386	XBYFSTAHARSBBD-SECBINFHSA-N	319.321	1.322	50	20	DDGD	
C#CCCN(CCOC)C(=O)NC[C@@]1(C)C[C@@H]1Br	856961430	ZLJLIRIRMRDWDN-WCQYABFASA-N	317.227	1.841	50	20	DDGD	
CCCN(NC(=O)c1ccnc(OC)n1)C(=O)OC(C)(C)C	935947821	MRUHQKMOLRPNDG-UHFFFAOYSA-N	310.354	1.777	50	20	DDGD	
O=C(NN=C1CCC2(CC1)NC(=O)NC2=O)NC1CCCCC1	758096756	VTXJHBPHAJEHBQ-UHFFFAOYSA-N	321.381	1.127	50	20	DDGD	
CC[C@](C)(NC(=O)NNC(=O)c1cccc(F)n1)C(F)(F)F	933510860	YAEOLRPGDJWRSV-NSHDSACASA-N	322.262	1.896	50	20	DDGD	
N#Cc1ccccc1C=NNC(=O)[C@@H]1COc2ccccc2O1	755485103	XEAGSUXUYINBHB-INIZCTEOSA-N	307.309	1.848	50	20	DDGD	
N#C/C=C(/c1ccc(F)cc1)N1CC[C@H](CS(N)(=O)=O)C1	932951565	JVRBYSKORUZKGY-RCROBYIUSA-N	309.366	1.301	50	20	DDGD	
O=C(NCc1ccc2c(n1)CCCC2)NNC(=O)C1CCCC1	767874320	MJILDBBJGOMGHQ-UHFFFAOYSA-N	316.405	1.981	50	20	DDGD	
C[C@H]1CCC[C@@H]1NC(=O)NNc1ccccc1S(C)(=O)=O	765755013	BEZOLRNNBRYCBX-QWRGUYRKSA-N	311.407	1.905	50	20	DDGD	
COC1(C=NNC(=O)COc2cc(C)cc(C)c2)CCOCC1	761747931	CVVOITJYYZOPFR-UHFFFAOYSA-N	320.389	1.980	50	20	DDGD	
CC(C)(C)Oc1cccc(CNC(=O)NNc2ncccn2)n1	768107587	VCLGKPNBKUHHFQ-UHFFFAOYSA-N	316.365	1.875	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@H](C)C(F)(F)F)n1	762902208	PQPVBNHQPQWDKP-QMMMGPOBSA-N	305.304	1.964	50	20	DDGD	
CCO[C@H](CC(=O)NNC(=O)COCc1ccccc1)C(C)C	760559587	HHYBWPUFTZHDFQ-OAHLLOKOSA-N	322.405	1.802	50	20	DDGD	
C[C@H](NNC(=O)C[C@H](n1cccn1)C(F)(F)F)C(F)(F)F	862322750	PFMPGJQBBLGIPV-BQBZGAKWSA-N	318.221	1.948	50	20	DDGD	
CC(C)(C(=O)NNC(=O)C[C@@H]1COC(=O)C1)c1ccccc1	765453292	NIACNQZYYOSQHO-NSHDSACASA-N	304.346	1.065	50	20	DDGD	
O=C(NNC(=O)C1(F)CCOCC1)c1cc2ccccc2o1	866369188	IUWHGWJXXOCKFU-UHFFFAOYSA-N	306.293	1.713	50	20	DDGD	
C[C@@H](NNC(=O)c1cnc(N(C)C)c(Cl)c1)C(F)(F)F	862322319	KHBZBMKGIDYIEC-ZCFIWIBFSA-N	310.707	1.986	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccnn1C1CCCC1	765442907	XBFYBWSCFVQSMD-UHFFFAOYSA-N	302.338	1.105	50	20	DDGD	
O=C(NNC(=O)c1c(F)ccc(O)c1O)c1cccc(Cl)c1	763924413	UUHAFLKQPARYAZ-UHFFFAOYSA-N	324.695	1.965	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1cnc(C2CC2)s1	761812043	LSRBSQJGLBWPGO-UHFFFAOYSA-N	318.358	1.494	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2ncc(F)cn2)c2ccccc21	760906960	XIQOAYSJPXZGDC-LBPRGKRZSA-N	301.325	1.683	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1nnc(-c2ccncc2)o1	768058699	BCHSDZLZYYFJGU-MRVPVSSYSA-N	321.362	1.170	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cnn(CC2CC2)c1	867225045	JEWLRXFPAIDNKF-UHFFFAOYSA-N	314.345	1.837	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1	868242544	QZWIIFQYZIEJMH-KBPBESRZSA-N	321.421	1.523	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccccc2Cn2cccn2)n[nH]1	763118310	CRJWWPULXVNSKT-UHFFFAOYSA-N	324.344	1.038	50	20	DDGD	
Cc1nc2ccc(C(=O)NNc3ncc(F)cn3)cc2nc1C	760905682	DPBGQCCEHVBHHH-UHFFFAOYSA-N	312.308	1.933	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C1CCC(C(F)(F)F)CC1	767888867	YNZICUWHZVHOTE-UHFFFAOYSA-N	318.299	1.848	50	20	DDGD	
C[C@@H]1CC[C@@H](NC(=O)NNC(=O)c2c[nH]c3ccccc23)CN1	861685800	QJAOPEJHXGACIA-GHMZBOCLSA-N	315.377	1.252	50	20	DDGD	
CCCc1csc(NC(=O)NNC(=O)C2CCNCC2)n1	1118015705	IUPYVJKAIMCLHY-UHFFFAOYSA-N	311.411	1.248	50	20	DDGD	
C[C@H]1CCCN(C(=O)C(=O)NNC(=O)CCc2ccccc2)C1	767802748	ZLMHSCDDCAGKJY-ZDUSSCGKSA-N	317.389	1.025	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccccc1CN1CCCC1	875026081	KNBLEOIGGAVWMQ-UHFFFAOYSA-N	320.393	1.695	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCC1(CO)CCOCC1	768307648	QAFZKZKFQCPVNT-JTQLQIEISA-N	322.243	1.701	50	20	DDGD	
COCCOCC(=O)NN=Cc1cc(Cl)ccc1OC	872403095	NMYTVGNVRZJCCE-UHFFFAOYSA-N	300.742	1.462	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@H]2CCCN2C=O)c1	874946586	OFVXDIUFCFFGAB-GFCCVEGCSA-N	324.381	1.073	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(C)n(-c2ccccc2)n1	879096769	YAGMGFDOQIEMRF-UHFFFAOYSA-N	303.366	1.795	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C2=CCCCO2)cn1	874954137	ONZVFYDITSMHBC-UHFFFAOYSA-N	308.363	1.102	50	20	DDGD	
O=C(NNc1c(F)cccc1Cl)N[C@H]1C[C@H](C(=O)O)C1	874429051	ZNFJGFIONOECSF-LJGSYFOKSA-N	301.705	1.968	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(OCC(F)F)cc1	878866847	GABIGKAFAPYETN-UHFFFAOYSA-N	303.309	1.945	50	20	DDGD	
CCOc1cnc(C(=O)NNC(=O)NC2CCCCC2)cn1	777768211	GOXLLOYYLYNAPO-UHFFFAOYSA-N	307.354	1.152	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)C[C@@H]2CCC(=O)N2)c1	874948764	ZPZPMWOUGZPIGP-VIFPVBQESA-N	324.381	1.120	50	20	DDGD	
CSCCNC(=S)NNC(=O)CO[C@H]1CCC[C@@H](C)C1	770245875	IJSKXICBUINUKJ-MNOVXSKESA-N	319.496	1.440	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc3nc[nH]c3n2)cc1	1116577193	BMVIJJRAYBAYGR-UHFFFAOYSA-N	311.301	1.041	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)cc[nH]1	875293845	OCIIDCUUPOOHQH-QWHCGFSZSA-N	319.409	1.085	50	20	DDGD	
COC(=O)CNC(=O)NN=CCCCCOc1ccccc1	779817261	JAIDUZKRBMVKOG-UHFFFAOYSA-N	307.350	1.694	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1cc(F)c(F)c(F)c1	779818678	VQZTUMPJSZLVBO-UHFFFAOYSA-N	303.240	1.300	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cnc2onc(CC)c2c1	887141944	PJZVXXOQMXWJSO-UHFFFAOYSA-N	300.318	1.350	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1cnn(-c2ccccc2)c1	779821515	YWGUWKPHFRSJIZ-UHFFFAOYSA-N	315.333	1.069	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](C)OCc1ccc(F)cc1	887149449	WYQDPNZNXCEUSA-GFCCVEGCSA-N	306.337	1.682	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1ccn(C(F)F)n1	775754525	YKRGIFLBBGPTPS-UHFFFAOYSA-N	324.287	1.256	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)c2cccc(C)n2)cc1	887552763	QRDUYRYXMVIHBW-UHFFFAOYSA-N	305.359	1.322	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(NC(C)=O)ccc1Cl	887146000	ZXWNACDYDDXAHO-UHFFFAOYSA-N	321.764	1.863	50	20	DDGD	
O=C(NNc1ncccn1)Nc1cccc(Cn2cncn2)c1	775544554	UXZOEGTVAXSRNI-UHFFFAOYSA-N	310.321	1.265	50	20	DDGD	
CCC(=O)NCc1cn(/C(Cl)=C\CBr)nn1	881310740	OHKBHHRCJPCSHW-BAQGIRSFSA-N	307.579	1.736	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2	785408987	RALHPUWXJCKYCV-FNCVBFRFSA-N	308.300	1.536	50	20	DDGD	
Cc1cc(O)cc(=O)n1CCC(=O)NNc1ccccc1F	783679705	PIJVHFKQASQWAR-UHFFFAOYSA-N	305.309	1.535	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2Cc3ccccc3[C@H]2O)C[C@@H]1Br	891090795	VBIKNCJQNBVUBK-CZXHOFHRSA-N	310.191	1.934	50	20	DDGD	
C/C(C=NNC(=O)C(=O)NC(C)C)=C/c1cccc([N+](=O)[O-])c1	787152540	WHPIFDUYKWFTMI-PNSCXZIPSA-N	318.333	1.625	50	20	DDGD	
CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)NN=c1cc[nH]cc1	780761784	CEJRKXGIHOFCNT-LBPRGKRZSA-N	307.398	1.069	50	20	DDGD	
C=C[C@H](CC)CC(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1	891767217	DREWWGFEMPGWQB-MELADBBJSA-N	311.426	1.235	50	20	DDGD	
COC1CCC(=NNC(=O)C(=O)Nc2ccc(C)cc2)CC1	783816903	POMFOSYVPLKGFD-UHFFFAOYSA-N	303.362	1.995	50	20	DDGD	
CCNC(=O)CC(=O)NNC(=O)c1ccc(Cl)cc1Cl	780857589	YCZMCIPDKBDYBD-UHFFFAOYSA-N	318.160	1.281	50	20	DDGD	
CC1(NC(=S)NNC(=O)Cn2cnc3ccccc32)CC1	789173476	OERXHYOAQWQRPR-UHFFFAOYSA-N	303.391	1.084	50	20	DDGD	
CCc1ccc(C#CC(=O)NNC(=S)NC(C)(C)C)cc1	899997378	QVWDTDODIKJSQJ-UHFFFAOYSA-N	303.431	1.894	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)C(C)C)cc1OC	797672458	MZYZMOVAGUWRPF-UHFFFAOYSA-N	309.322	1.291	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@H](C)[C@@H](C)N1CCOCC1	791027058	VPPRXTBONVXMFZ-CHWSQXEVSA-N	307.398	1.125	50	20	DDGD	
O=C(NN=C1CCC[C@H]1c1ccccn1)C(=O)N1CCCC1	794898757	BKZRWUDAISMJIZ-LBPRGKRZSA-N	300.362	1.444	50	20	DDGD	
CC(C)N(C)c1ccc(C=NNC(=O)N2CCOCC2)cn1	790160152	WTZFZRHOJBIVQG-UHFFFAOYSA-N	305.382	1.302	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc3c(c2)CCN3C)n1	794082024	VAMVITOAEDGGTA-UHFFFAOYSA-N	310.357	1.457	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc2nccnc2cc1F	798124509	XGBGYLKHWKLGEA-UHFFFAOYSA-N	321.381	1.676	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CC(F)(F)F)c1ccc2c(c1)OCO2	794241664	LDQRCKLARRIVIO-SSDOTTSWSA-N	318.251	1.619	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCO2)c1cc(C)n(C)n1	799866348	CXBDCPBNWVFUMJ-UHFFFAOYSA-N	300.318	1.611	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2c[nH]nc2C1)c1ccccc1Cl	1318751025	BCDKVWMDOAOJGY-VIFPVBQESA-N	318.764	1.629	50	20	DDGD	
Cc1oc(-c2cnn(C)c2)nc1C(=O)NNc1ncc(F)cn1	1319774954	WPJSQVZOPSNZTF-UHFFFAOYSA-N	317.284	1.070	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccn(-c2ccccc2F)n1	1318596135	MWBHMYQLGJIFIB-UHFFFAOYSA-N	321.381	1.529	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1nc2c(s1)C[C@@H](C)CC2	1324258902	STQVBJOVZISPLC-QMMMGPOBSA-N	310.379	1.074	50	20	DDGD	
COc1cccc(NNC(=O)c2cncc(OCC(F)F)c2)n1	1320201460	YWPIFIFTXACXCH-UHFFFAOYSA-N	324.287	1.886	50	20	DDGD	
COCCCNC(=O)NN=Cc1nc2c(s1)C[C@H](C)CC2	1324201094	CAXZFVOUXDSHCT-SNVBAGLBSA-N	310.423	1.938	50	20	DDGD	
CO[C@H]1CC[C@H](NC(=O)NNc2ccc3c(=O)[nH]ccc3c2)C1	1324911512	LQNGVVFVUAWZQQ-AAEUAGOBSA-N	316.361	1.722	50	20	DDGD	
O=C(NNc1cncc(Br)c1)c1ccc(O)nn1	1320252267	LIFYUMWCLXAIAV-UHFFFAOYSA-N	310.111	1.097	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)CCO)c2ncccc12	1325581884	FBPGSWHHRMUQLL-UHFFFAOYSA-N	318.333	1.169	50	20	DDGD	
Cc1ccc([C@H]2CCCN2C(=O)NNC(=O)c2cn[nH]c2)cc1	1331537147	PJYMAWVKOTZNDO-CQSZACIVSA-N	313.361	1.910	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)c2cnc3n2CCC3)cc1	1334455065	SEDJBQCZOXMXDB-UHFFFAOYSA-N	314.345	1.302	50	20	DDGD	
CCCN(CCC)C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1331374644	MHAGSCXPYIEGOL-ZWNOBZJWSA-N	319.243	1.925	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2C[C@H]2C2CCNCC2)C[C@@H]1Br	1331052157	ZZBDLGCNEPXCPM-KZVDOYCCSA-N	315.255	1.912	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)[C@H]1CN2CCN1C[C@H]2C	1347883766	IGIQOWMPYZSCIC-BXUZGUMPSA-N	308.813	1.480	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cc(C(=O)O)no1	1607191881	QZKOBYWDPIOJBW-UHFFFAOYSA-N	308.202	1.509	50	20	DDGD	
C[C@H]1CCNC[C@@H]1NC(=O)NNc1ccc(F)c(C(=O)O)c1	1609862091	HKQWRPZWYWWXOW-UFBFGSQYSA-N	310.329	1.148	50	20	DDGD	
C[C@@H](C(=O)O)C(=O)NNc1ccc(Br)c(F)c1	1602806351	ITFQMWKZVDGZCU-RXMQYKEDSA-N	305.103	1.752	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCS1)c1ccc(-c2nn[nH]n2)cc1	1609060403	KYRSGMABEZXZGD-GFCCVEGCSA-N	316.390	1.603	50	20	DDGD	
CCc1ncc(NC(=O)NNc2cccc(C(=O)O)c2)cn1	1605861339	OEMZWPGAZKVGOJ-UHFFFAOYSA-N	301.306	1.886	50	20	DDGD	
CC(=NNC(=O)c1cccn1C)c1ccccc1-c1nn[nH]n1	1609061001	VCEUBMQWUWTJIQ-UHFFFAOYSA-N	309.333	1.359	50	20	DDGD	
CNc1nc(C(=O)NNc2cccc(C(=O)O)c2C)cs1	1606313407	PMPOVYPPGRJCDL-UHFFFAOYSA-N	306.347	1.948	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1cc(C(=O)O)n(C)c1	1607340320	POYCEFXWKMRORS-UHFFFAOYSA-N	315.329	1.425	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1ccc(-c2nn[nH]n2)cc1	1602907282	WUBSMTXVVPMCTK-GXFFZTMASA-N	314.349	1.132	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2c[nH]c(C(=O)O)c2)ccc1C	1606559405	MTTAPYAQCUKEMA-UHFFFAOYSA-N	317.301	1.565	50	20	DDGD	
Cn1ccc(CCC(=O)NNc2ccc(C(=O)O)c(Cl)c2)n1	1600976429	RAVBVUMJTGEPPG-UHFFFAOYSA-N	322.752	1.848	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@]23[C@H]4C(=O)[C@H]5[C@H]6C[C@@H]([C@@H]52)[C@@H]3[C@H]64)c1	1610848495	JEVDKCUZNPBAFW-GDCBQHHFSA-N	324.336	1.155	50	20	DDGD	
CC[C@@H]1COCC1=NNC(=O)[C@H]1CCCO[C@@H]1c1nccn1C	1549317115	TYBVGIHBKZNWLU-DYEKYZERSA-N	320.393	1.416	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=C[C@H]1CCCO[C@H]1c1cnn(C)c1	1552763457	UGGPJLZQCJXQFV-FAAHXZRKSA-N	320.393	1.415	50	20	DDGD	
O=S1(=O)C[C@@H](Br)[C@H](OCc2ccccc2)C1	158127420	VUZKVLUMQRDYJE-GHMZBOCLSA-N	305.193	1.764	50	20	DDGD	
CCOCc1nc(C)cc(NNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)n1	1573913638	LHQNPLRBUIRSJH-WDEREUQCSA-N	322.365	1.266	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1csc(Cc2ccc(N)cc2)n1	1576036765	KTWGEIKHRGLGIC-JTQLQIEISA-N	320.418	1.274	50	20	DDGD	
C[C@H](CCN)NC(=O)NNc1cccc(F)c1Br	1575955944	UMLDSNVMLXDIJV-SSDOTTSWSA-N	319.178	1.952	50	20	DDGD	
C[C@@H](NNC(=O)C1CC2(C1)C[C@H](N)CCS2)C(F)(F)F	1576252246	OYEGWFYTEJMPAW-DLMHNBQMSA-N	311.373	1.561	50	20	DDGD	
NC[C@H](C(=O)NNC(=S)Nc1ccccn1)c1ccccc1	1580215843	PQBRSBKRWBKCII-LBPRGKRZSA-N	315.402	1.142	50	20	DDGD	
Nc1c(Cl)cc(F)cc1C(=O)NNc1ncccc1C(=O)O	1594663465	UOSXXBMDRLVIPR-UHFFFAOYSA-N	324.699	1.911	50	20	DDGD	
O=C(C[C@@H]1CCCOC1)NNc1cccc(-c2nn[nH]n2)c1	1592824053	XWHQQOUPSRUXCJ-JTQLQIEISA-N	302.338	1.127	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@H]1CCCCN1C	1599376732	BQFJRUDZGCEIJV-LBPRGKRZSA-N	307.350	1.321	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)c2cc(-c3nn[nH]n3)[nH]c2C)c1	1592139001	NXLLVAAWHVCDPZ-UHFFFAOYSA-N	311.349	1.877	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNc2ccc(CC(=O)O)cc2)[C@@H]1C	1594636867	XWOCVLZYTOPREF-RSQPEXBXSA-N	306.362	1.816	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cccc(CO)c1	1593165400	HIUUACLAPFNBRJ-UHFFFAOYSA-N	310.317	1.116	50	20	DDGD	
COCCCS(=O)(=O)/C(C#N)=C/c1cc(C(=O)O)cs1	1777207102	QYVDLXCJHYXGOY-IZZDOVSWSA-N	315.372	1.762	50	20	DDGD	
CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC1)C2	1799270974	GINQSMONAFFSMP-RNJOBUHISA-N	314.813	1.003	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(CN(CC)C(C)C)cc1	161263062	VXNBQXLDUXLSPI-UHFFFAOYSA-N	306.410	1.881	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1cccnc1Cl	162399254	GYSPFBJKNPYKEH-UHFFFAOYSA-N	300.746	1.704	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cc(-n3cccn3)ccn2)cc1	155745318	SJESNRDALGMWTI-UHFFFAOYSA-N	304.313	1.896	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@]2(CCNC2)C1	159226900	ABYZHKPJRFQFBP-HNNXBMFYSA-N	310.829	1.564	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(c2nc(CC)ns2)CC1	159739625	YUNDHNKQOMDQNT-KHPPLWFESA-N	321.406	1.193	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)C1CCC1	6982222	INFFLABBCBPEBH-UHFFFAOYSA-N	300.362	1.546	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNC(=O)COc2ccccc2F)c1	7958813	DNMJAUROCRPBKA-UHFFFAOYSA-N	319.292	1.196	50	20	DDGD	
Cc1cc([C@@H](C)NC(=O)NNC(=O)Cc2cccnc2)c(C)o1	103611860	POGIJLYPLPLCBE-LLVKDONJSA-N	316.361	1.926	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)CCOc1cccc(C)c1	109831652	NNYOOOUVQHHYBV-CYBMUJFWSA-N	307.394	1.252	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)c1ccc(N)c([N+](=O)[O-])c1	104634339	PKPVKFGQSMJWBV-UHFFFAOYSA-N	321.318	1.017	50	20	DDGD	
CC(C)(C)S(=O)(=O)CC(=O)NNc1cccc([N+](=O)[O-])c1	179713734	CUFWGDLRICSRNV-UHFFFAOYSA-N	315.351	1.251	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1csc([N+](=O)[O-])c1	175801617	ISUWCRLLZOWXJM-UHFFFAOYSA-N	306.303	1.055	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2c(Cl)cccc2Cl)cn1	171192354	ZHHGBTRWUOQROW-UHFFFAOYSA-N	313.144	1.802	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)N[C@@H]1CC=CCC1	172481437	UHXOHMULPYEGIU-GFCCVEGCSA-N	307.325	1.644	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N2CCOCC2)c2ccccc2n1	27338240	SHONIKLVLNQJEE-UHFFFAOYSA-N	314.345	1.230	50	20	DDGD	
Cc1cc(NNC(=O)c2cccnc2OCC(F)F)ncn1	179061092	HBZYNUKXEJKOND-UHFFFAOYSA-N	309.276	1.581	50	20	DDGD	
Cc1cc(/C=C(/C#N)C(=O)NCC(N)=O)c(C)n1CC(C)C	67509168	QJTJBOBXXBBZIX-NSIKDUERSA-N	302.378	1.269	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@H]2CCOC2)c1C	66895447	XYQSATXQRDSRJP-STQMWFEESA-N	306.362	1.255	50	20	DDGD	
CC(C)NC(=O)CN1CCN(/C(=C/C#N)c2ccccc2)CC1	175403446	MQGTZWVZESBCPT-CAOOACKPSA-N	312.417	1.693	50	20	DDGD	
CCOCCCNC(=O)NNC(=O)CCOc1ccccc1	67314690	XNFDKLWDPUIGOM-UHFFFAOYSA-N	309.366	1.213	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCCNC(=O)C1CCC1	177016910	BQBUTJIRHOQGRC-UHFFFAOYSA-N	312.414	1.059	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NNC(=O)Nc1ccc(Cl)cc1	115311510	BSTQYGSMBQXCAM-HJWRWDBZSA-N	308.725	1.937	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C(C)C	21771192	JIYUUDQCZSWPGL-ZDUSSCGKSA-N	321.377	1.527	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnn(-c2cccc(C)c2)c1C	65190123	ROCUHXMNEIUJSP-UHFFFAOYSA-N	301.350	1.453	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1nc(-c2cnn(C)c2)cs1	172809340	JBUSTYDICLIEIB-WEVVVXLNSA-N	303.347	1.926	50	20	DDGD	
CCCC[C@@H](NC(N)=O)C(=O)NNC(=O)Nc1ccccc1C	68542667	ANVJONKCJBVYSU-GFCCVEGCSA-N	321.381	1.375	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)c1cccc2cn[nH]c12	129206712	FZNWIASENCWAMI-UHFFFAOYSA-N	324.340	1.793	50	20	DDGD	
COc1nccnc1NNC(=O)c1coc(-c2ccccc2)n1	184360593	UNPWCASFBYPLTN-UHFFFAOYSA-N	311.301	1.897	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(C(=O)N(C)C)c(C)c1	186034096	QOJFYWVVZMDCDJ-JTQLQIEISA-N	320.393	1.896	50	20	DDGD	
COc1ccnc(NNC(=O)/C(C#N)=C\c2ccc(F)cc2)n1	182105707	FHHSJXURQQPNMC-FLIBITNWSA-N	313.292	1.675	50	20	DDGD	
CCN(CC)CC(=O)NNC(=O)CNc1ccc(C)cc1C	76950359	XQVOOSHKVOFRNE-UHFFFAOYSA-N	306.410	1.205	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)CCCOC	78875681	SRZPJDJJSKBDIK-UHFFFAOYSA-N	318.377	1.173	50	20	DDGD	
CS(=O)(=O)Nc1ccc(F)cc1C(=O)NNc1ccncc1	183012296	BZHHCJFVKLLPON-UHFFFAOYSA-N	324.337	1.349	50	20	DDGD	
Cc1cccc(C(=O)NNc2nc3ccccc3c(=O)n2C)c1	70919660	UFCWEEWQYFWNDT-UHFFFAOYSA-N	308.341	1.999	50	20	DDGD	
CNC(=O)c1cccc(NC(=O)NNC(=O)c2ccc(C)o2)c1	183280153	SOJWBGQDRDQJNM-UHFFFAOYSA-N	316.317	1.414	50	20	DDGD	
Cc1ccc(C(C)(C)C(=O)NNC(=O)c2cc(C)n[nH]2)cc1	120025340	BNOLZBBEPXVKGG-UHFFFAOYSA-N	300.362	1.765	50	20	DDGD	
C[C@@H](O)[C@@H](C)SCC(=O)NNC(=O)c1ccc(F)cc1	79051494	WCTXSGCLTTZWLV-RKDXNWHRSA-N	300.355	1.089	50	20	DDGD	
C[C@H](NC(=O)CC(C)(C)C)C(=O)NNc1cccc([N+](=O)[O-])c1	187069810	SNEWECWMYLENGQ-JTQLQIEISA-N	322.365	1.979	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)c2cccc(OC(F)F)c2)c[nH]1	181524332	IPVCXKWJXKCVBV-UHFFFAOYSA-N	320.255	1.563	50	20	DDGD	
O=C(CNC(=O)NC1CCCCC1)NNc1ccnc(F)c1	182469994	DGJAUQKNDYMKGT-UHFFFAOYSA-N	309.345	1.296	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NC[C@@]2(C)CCCO2)c1	126892658	XDFCNPZYIQMMMO-MRXNPFEDSA-N	320.393	1.266	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCOC(C)C)cc(C#N)n1C	185191199	HZLSEMGROKBONK-VGOFMYFVSA-N	300.362	1.653	50	20	DDGD	
COc1ccccc1C(=O)NNC(=S)NCC(F)(F)F	49496540	UCGWDCIDZRWCKM-UHFFFAOYSA-N	307.297	1.366	50	20	DDGD	
C[C@@H]1CCCN(CCNC(=O)NNc2cccc([N+](=O)[O-])c2)C1	46377713	NBSXAYGLNWZIMC-GFCCVEGCSA-N	321.381	1.953	50	20	DDGD	
CCN1C[C@@H](C(=O)NNc2ncnc3ccsc23)CC1=O	132604453	DXSAGILCBFECPY-QMMMGPOBSA-N	305.363	1.003	50	20	DDGD	
O=C(CN1CCCC1=O)NNc1ccc(Br)cc1	194149461	PKBHZRRFKQDAFZ-UHFFFAOYSA-N	312.167	1.515	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C(=O)Nc2ccccc2)c1	130832898	MPVCTJNTSCQPBJ-UHFFFAOYSA-N	303.293	1.916	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN(C)C2CCCC2)n1	193120574	JSVWFPGLXPZCJH-UHFFFAOYSA-N	310.423	1.016	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C(C)(C)C)cc1OC	80085168	FUSIMOFKVNHJHR-UHFFFAOYSA-N	308.378	1.830	50	20	DDGD	
O=C(Cc1c[nH]c2ncccc12)NNc1nc2ccccn2n1	191923881	JXHMPWPESROBAB-UHFFFAOYSA-N	307.317	1.291	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCc1ccc(Cl)nc1	83183250	VEKVVRYGFAVBLE-UHFFFAOYSA-N	319.752	1.203	50	20	DDGD	
CCn1cc(NC(=O)C(=O)NNc2ccc(C)cc2)ccc1=O	131436890	SPSNSRMFKUJPEQ-UHFFFAOYSA-N	314.345	1.258	50	20	DDGD	
CC(=O)c1ccc(NC(=O)C(=O)NNc2cc(C)ccn2)cc1	190046595	NDBDHQQVOVYZMU-UHFFFAOYSA-N	312.329	1.674	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccc(N2CCCC2)nc1	191885275	NIHLLYCBBPZXEA-UHFFFAOYSA-N	323.360	1.481	50	20	DDGD	
CC[C@H](C)[C@@H](C)NC(=O)NNC(=O)COc1ccc(C#N)cc1	194448332	KLPRVTPWCDZSPU-NWDGAFQWSA-N	318.377	1.702	50	20	DDGD	
COc1ncc(C)cc1NC(=O)NNc1nc2ccccn2n1	192300816	KCLQTECCVICCBH-UHFFFAOYSA-N	313.321	1.590	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc(Cl)nc2C)[nH]n1	194654653	IQXVLCLBMOLXBG-UHFFFAOYSA-N	308.729	1.541	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)nn1	190587855	JYXRJKJUHZLMJB-UHFFFAOYSA-N	319.340	1.176	50	20	DDGD	
C[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(CCCl)cc1	385143666	OFOKOJHMBFHUAH-JQWIXIFHSA-N	303.811	1.612	50	20	DDGD	
CC(=O)Nc1ccc(F)c(C(=O)NNC(=O)c2ccc[nH]2)c1	97029797	UCFAHDQQZQJACL-UHFFFAOYSA-N	304.281	1.187	50	20	DDGD	
CC(=NNC(=O)NC(C)C)c1ccc(NS(C)(=O)=O)cc1	254823455	IWYUSFLZOUDUPN-UHFFFAOYSA-N	312.395	1.490	50	20	DDGD	
COc1cccc(O[C@H](C)CNC(=O)NNc2cccnn2)c1	266558154	MHXZBGYBEFGZCA-LLVKDONJSA-N	317.349	1.579	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)N[C@H]1CCCSC1	267244950	AZPVRNXPZZDOIN-NSHDSACASA-N	311.382	1.594	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNc1ccc([N+](=O)[O-])cc1	269060155	PZDZPXKBZVAFFR-UHFFFAOYSA-N	324.337	1.953	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cc(O)nc2ccc(F)cc12	265673565	HUHKIMLRHVZTGU-UHFFFAOYSA-N	303.293	1.641	50	20	DDGD	
CCCCOCC(=O)NNC(=O)COc1ccccc1OCC	265388491	NJDRDUSIKRXQIE-UHFFFAOYSA-N	324.377	1.428	50	20	DDGD	
COC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)c2ccccc2O)C1	267477399	AZZRWKMYAHDQPV-MNOVXSKESA-N	320.345	1.133	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1ccc2scnc2c1	274209881	SVLRBOLKXZPCHA-UHFFFAOYSA-N	320.374	1.428	50	20	DDGD	
Cn1nc(C(F)F)c2cc(C(=O)NNC(=O)C3CC3)sc21	279991777	OUMHUSFBPBSALB-UHFFFAOYSA-N	314.317	1.743	50	20	DDGD	
Cc1cccc(OS(=O)(=O)CBr)c1[N+](=O)[O-]	272777087	GSHLHILAJOUDBL-UHFFFAOYSA-N	310.125	1.964	50	20	DDGD	
CC[C@]1(C(=O)NNc2nc(-c3cccnc3)no2)CCCN1	274681504	ZZHAUCBFQWGLIL-CQSZACIVSA-N	302.338	1.107	50	20	DDGD	
CC[C@@H](CC(=O)NNC(=O)N1CCN(C)CC1)c1ccccc1	278768659	YASGSPYXVLIQPQ-AWEZNQCLSA-N	318.421	1.559	50	20	DDGD	
CC[C@@H]1C[C@@H](CC(=O)NNC(=O)c2ccc(C#N)cc2)CCO1	273169809	KITWGVJYLJBHQD-DZGCQCFKSA-N	315.373	1.915	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2ccc(C(F)(F)F)nn2)CCO1	271986773	KNGLQZNINHVIDZ-YUMQZZPRSA-N	304.272	1.754	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H](COC)OC)cc1	272858401	HZUCPLTWNRNKQR-IDJPSDCMSA-N	318.373	1.770	50	20	DDGD	
CCOc1ccc(OCC)c(NC(=O)NNC(=O)CN(C)C)c1	274842773	VZVRXXVOJZPGDK-UHFFFAOYSA-N	324.381	1.198	50	20	DDGD	
COc1cccc(NNC(=O)CCc2nc(CSC)no2)n1	272487724	DFUDADVTDFFYQE-UHFFFAOYSA-N	323.378	1.412	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C(=O)C(C)(C)C)nc1C	272231195	VOLKDFKOQFBSMR-UHFFFAOYSA-N	308.338	1.020	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@@H]1CCC1(C)C	287422927	QXGQLEQIMOACDM-CYBMUJFWSA-N	305.378	1.757	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CC[C@@H](c3ccco3)C2)n1	373465442	LAHCZMHWNWCUSI-GFCCVEGCSA-N	314.345	1.827	50	20	DDGD	
O=C(CCN1C(=O)COc2ccccc21)NCC(Cl)Cl	288229872	NJJHKCKFKXIXIX-UHFFFAOYSA-N	317.172	1.722	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)COc1cc(C)ccc1C)C1CC1	280005394	PRWSIEBQRPYEEE-OAHLLOKOSA-N	306.362	1.255	50	20	DDGD	
O=C(C[C@@H]1CCCC[C@H]1O)NNC(=O)c1cccc([N+](=O)[O-])c1	280702230	FPVVMJXAEFZMPA-GXFFZTMASA-N	321.333	1.297	50	20	DDGD	
O=C(NNC(=O)C1(c2cncc(Br)c2)CC1)C1CC1	281023644	BBXDOOJUDBDOTK-UHFFFAOYSA-N	324.178	1.433	50	20	DDGD	
C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)CBr	805111615	ZRDNBEORQLCUGG-VHSXEESVSA-N	311.245	1.227	50	20	DDGD	
CC[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CCCO1	292173274	PUNUZSJFSGFXCX-AAEUAGOBSA-N	310.325	1.310	50	20	DDGD	
CC[C@@H](CC1CCCC1)C(=O)NNC(=O)N1CCN(C)CC1	807383022	YVWCLEULVWSURW-AWEZNQCLSA-N	310.442	1.581	50	20	DDGD	
O=C(NNC(=O)c1snnc1C1CC1)c1ccccc1F	809950770	YKKRZJSXOOVEHR-UHFFFAOYSA-N	306.322	1.629	50	20	DDGD	
CC[S@@](=O)CC(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	296124298	OLAATQAAGZQYFR-LJQANCHMSA-N	305.743	1.460	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)CNc2ccccc2F)nn1	807946575	XVNFBMXIMJSIEP-UHFFFAOYSA-N	304.329	1.560	50	20	DDGD	
CC[C@H]1NCC[C@H]1C(=O)NNc1nc(-c2ccccc2)no1	290082423	WEVKJCDVENLMKX-VXGBXAGGSA-N	301.350	1.568	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1COCCO1	296292728	ZAHWSDDRGMOKJK-JTQLQIEISA-N	301.686	1.107	50	20	DDGD	
Cn1ccc2c(C(=O)NNC(=O)N=c3cc[nH]cc3)cccc21	802026437	WSHMCIQLRIPSKV-UHFFFAOYSA-N	309.329	1.462	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)[C@@H]1CCCO1	292097890	HKTPHGXHYCHXDZ-HLTSFMKQSA-N	314.794	1.831	50	20	DDGD	
CS[C@@H](C)CC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	801105951	MFVOQTAERDAJFV-JTQLQIEISA-N	309.391	1.223	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)Nc2cccnc2)cc1	804030365	GUROXEPFGAJDNY-UHFFFAOYSA-N	316.317	1.322	50	20	DDGD	
CC(C)Cn1cc(NC(=O)NNC(=O)[C@@H]2CCCCO2)cn1	296928173	OPGZIRWDNSNIFY-LBPRGKRZSA-N	309.370	1.261	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cc3c(s2)CCC3)n1	809983941	XIVJTRBNPSASER-UHFFFAOYSA-N	312.354	1.578	50	20	DDGD	
Cc1cc[nH]c1C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802124130	DCBZSRIZAUHLLL-UHFFFAOYSA-N	301.350	1.856	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@]2(C#N)CC23CCCC3)nc1	295503159	KVNGSXYMPNAPAN-INIZCTEOSA-N	314.345	1.785	50	20	DDGD	
C=C(C)C(C)(C)C(=O)NNC(=O)CNc1ccc(OC)cc1	819839929	VLFPGXHBXCLVRF-UHFFFAOYSA-N	305.378	1.857	50	20	DDGD	
CCn1nc(C)c(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)n1	819599676	NRMRZIKRBTZPAY-JYRVWZFOSA-N	311.345	1.535	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H](C)[C@@H]1OCCc2sccc21	814632170	BBCYJDGNCVSCSQ-SKDRFNHKSA-N	311.407	1.738	50	20	DDGD	
O=C(NNc1ncncc1F)[C@@H](O)Cc1ccccc1Cl	817077832	NHELEZHUNHSQOL-NSHDSACASA-N	310.716	1.316	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1cc(F)c[nH]1	816419361	NUPNTMHNDYXSBF-UHFFFAOYSA-N	304.310	1.824	50	20	DDGD	
COCCN(C)NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1	816561292	RVJUBUSDHYXTMN-AWEZNQCLSA-N	321.377	1.027	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cccc(C#N)n2)n1	810560466	BCNRUFGCHSCRAF-UHFFFAOYSA-N	311.349	1.346	50	20	DDGD	
O=C(NN=C1CC[C@H](c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1	814781203	BBDIRHYUCMLUQX-UONOGXRCSA-N	320.414	1.861	50	20	DDGD	
CC(C)c1[nH]nc(C(=O)NNc2nc[nH]n2)c1Br	816631153	HTMWVTQXICJVBD-UHFFFAOYSA-N	314.147	1.171	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)Cc2ccoc2)cc1	812728619	SLJCGKBQAPMDJD-UHFFFAOYSA-N	323.374	1.216	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C1CC[C@H](C(=O)O)C(C)(C)[C@H]1C	814852295	RKUZJNDJAJUZDJ-GZMMTYOYSA-N	306.366	1.961	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1coc(=O)c2ccccc12	819545153	ZUKGIIGEUHBQBB-ZDUSSCGKSA-N	316.313	1.123	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H]2CCN(Cc3ccccc3)C2=O)n1	827038291	UGACIGVDPGTJRO-OAHLLOKOSA-N	324.384	1.882	50	20	DDGD	
C[C@@H]1OC(=O)N[C@H]1C(=O)NNc1ccccc1C(F)(F)F	496712687	NXFBTNWMYQOUJE-IMTBSYHQSA-N	303.240	1.645	50	20	DDGD	
CC1(C)COCCN1CCNC(=O)NNc1ccc(F)cc1	728401032	SLTPYCJFIFEDSM-UHFFFAOYSA-N	310.373	1.563	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1C[C@H](c2ccccc2)[C@@H](C(N)=O)C1	491173510	CWYZUXSSDQXLMM-URQVRESPSA-N	313.357	1.158	50	20	DDGD	
CC(=O)c1cccc(OCCCC(=O)NN(C)[C@@H](C)CO)c1	823965334	LLRIDLIAPNINGB-LBPRGKRZSA-N	308.378	1.392	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC(C(=O)C(F)(F)F)CC1	490908887	MCHZVPFGJSVPQJ-CSKARUKUSA-N	304.268	1.800	50	20	DDGD	
Cc1ccccc1C(=O)NNS(=O)(=O)c1ccccc1C	727353747	WRKWRTGAJNLLAQ-UHFFFAOYSA-N	304.371	1.927	50	20	DDGD	
CN1C(=O)CC[C@H]1CC(=O)NNC(=O)CCCc1ccccc1	825745050	UOLGEZIZEDTZGY-AWEZNQCLSA-N	317.389	1.168	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@@H]1CC12CCSCC2	822782288	RMPXENUBAHCHIU-NSHDSACASA-N	309.391	1.643	50	20	DDGD	
CC(C)O[C@@H]1CCN(CC(=O)NNC(=O)c2cccs2)C1	828847521	SXJUFTOKFORBJC-LLVKDONJSA-N	311.407	1.008	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1Cl	490842558	LQNNECLDZBPSGF-IZZDOVSWSA-N	308.721	1.708	50	20	DDGD	
CN(NC(=O)Nc1cnn(-c2cnc3ccccc3n2)c1)C1CC1	824253710	ZWZYMWCYWOVWAT-UHFFFAOYSA-N	323.360	1.946	50	20	DDGD	
CC(C)[C@H](C)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	824192893	OFLIYCOFWDAAIO-ZETCQYMHSA-N	309.761	1.650	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC[C@H](C(C)(C)C)C1	827274415	OEISBCVMYRKQIT-RWMBFGLXSA-N	311.426	1.910	50	20	DDGD	
CCNC(=O)N(C)N=C[C@@H](CCOC)NC(=O)OC(C)(C)C	495895794	PTCFGZRACZFCHX-LLVKDONJSA-N	316.402	1.563	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2(Br)CC2)c1	821798354	ZRWHPPNQVCCRLK-UHFFFAOYSA-N	313.151	1.844	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)c1ccc(-c2nn[nH]n2)[nH]1	826447577	LZCSMGBFLXTFNO-UHFFFAOYSA-N	320.316	1.500	50	20	DDGD	
CC(C)C(=O)NNC(=O)CNC1(Cc2ccccc2)CCCC1	828862004	SQSGRKOBZMKGBV-UHFFFAOYSA-N	317.433	1.935	50	20	DDGD	
CCc1ccccc1-n1cc(O)c(C(=O)NNC(=O)OC)n1	495367266	NZAINSGPUAEDTR-UHFFFAOYSA-N	304.306	1.141	50	20	DDGD	
C[C@@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)[C@H]2CCCC[C@@H]12	584972813	HOMJQGIPXFLAIM-GMXABZIVSA-N	305.158	1.156	50	20	DDGD	
Cc1[nH]nc(O)c1NC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	820403172	RFYUCQSRXSPBGB-WCIBSUBMSA-N	310.317	1.488	50	20	DDGD	
CC(=NNC(=O)C1CCC1)c1ccc(OCC(=O)N(C)C)cc1	731932191	BCTFEYWQWRWMAR-UHFFFAOYSA-N	317.389	1.794	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@H]3CC[C@H]3C(N)=O)nc12	828357687	AAFSZCHDPCVECX-BDAKNGLRSA-N	304.375	1.559	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)NNc1cnccn1	495471858	CLLUJNHYDGYZDB-GHMZBOCLSA-N	321.381	1.613	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1	823951622	LOSCZMLWMUAWES-GFCCVEGCSA-N	321.421	1.306	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)cn1	490694624	LNXUFOHJSXTHPS-MLPAPPSSSA-N	311.301	1.552	50	20	DDGD	
COc1cccc(CNC(=O)NNC(=O)CC(F)(F)F)c1C	824134465	YREMDHSGCPDTFS-UHFFFAOYSA-N	319.283	1.786	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@H]1CC[C@@H]2CCCCN21	900637438	DUYMOXUTNHZULP-DZGCQCFKSA-N	319.380	1.533	50	20	DDGD	
CC(=O)NC[C@@H]1CCCN(C(=O)[C@]2(C)C[C@H]2Br)C1	906433036	IGHNOXRDAMVYPS-DMDPSCGWSA-N	317.227	1.535	50	20	DDGD	
COCC1CCC(NC(=O)NNC(=O)OC(C)(C)C)CC1	497068271	XWWFKJRDCUQHBD-UHFFFAOYSA-N	301.387	1.931	50	20	DDGD	
COC(=O)NNC(=O)c1nn(-c2cccc(F)c2)c2c1CCC2	497105952	JFHFQPWPNAJOMR-UHFFFAOYSA-N	318.308	1.501	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccccc1SC	901964088	CKNVAEBQKQPRHD-UHFFFAOYSA-N	312.416	1.522	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCN(CC)CCC(F)(F)F	491175108	JRZBGEYNWOVDFW-ZHACJKMWSA-N	307.316	1.821	50	20	DDGD	
CCN(Cc1cnn(C)c1)C(=O)[C@]1(C)C[C@@H]1Br	906435995	NQNVMQDUPSTDSP-CMPLNLGQSA-N	300.200	1.942	50	20	DDGD	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](B(O)O)C1	585075532	SBIVCBCTESIRAG-NXEZZACHSA-N	324.167	1.151	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2ncon2)CCN1Cc1ccccc1	901290687	ZKTPPUASENGFKB-LBPRGKRZSA-N	313.361	1.840	50	20	DDGD	
CCO[C@@H]1CCC[C@H]1NCC(=O)NNC(=O)c1cccs1	832569892	IZPCWFMQNVWPOK-GHMZBOCLSA-N	311.407	1.056	50	20	DDGD	
Cc1ccc2[nH]cc(C=NNC(=O)[C@H]3CCS(=O)(=O)C3)c2c1	735613279	YEMXIDVOALTXHB-NSHDSACASA-N	319.386	1.361	50	20	DDGD	
CC(C)[C@H](C)CNC(=O)NNc1cccc(-c2nn[nH]n2)c1	735703507	UGAKWBVFMWVOLR-SNVBAGLBSA-N	303.370	1.785	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cccc(C#N)c1)N1CCCCC1	906565308	GKVFDAOJVMLJNM-UHFFFAOYSA-N	314.389	1.584	50	20	DDGD	
CN(C)C(=O)C[C@@H](NS(=O)(=O)CCl)c1ccccc1	830181592	QVNVLGIKVGXNTL-LLVKDONJSA-N	304.799	1.322	50	20	DDGD	
O=C(NNC(=O)NC(CF)CF)Nc1ccc(Cl)cc1	836532485	SNBUDZRJGJZIHL-UHFFFAOYSA-N	306.700	1.983	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)CC2(CCCC2)O1	830854118	LJLMLLALZPJAQZ-GFCCVEGCSA-N	311.426	1.213	50	20	DDGD	
C[C@@H]1CN(C[C@H]2CCCN2S(=O)(=O)CCl)C[C@@H](C)O1	830191250	ZJAFZGDBNDWXTR-IJLUTSLNSA-N	310.847	1.086	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCCC1=NNC(=O)[C@@H]1CCCCO1	834989022	ORNVZYMGZSHFAJ-NWDGAFQWSA-N	302.396	1.015	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)Cc1c[nH]c2ccccc12	732527718	HKWDJAXKNSUELN-UHFFFAOYSA-N	307.375	1.247	50	20	DDGD	
CC(C)C[C@H](NC(=O)O)C(=O)NNc1cc(Cl)ccn1	833482207	ZJLBFTUSGMYESC-VIFPVBQESA-N	300.746	1.860	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)C1CCOCC1)c1ccccc1	905566872	BPIUUHMKRHNWGC-LLVKDONJSA-N	307.419	1.670	50	20	DDGD	
C[C@H](O)C[C@@H](CNCc1cccc(B(O)O)c1)c1ccccc1	585029489	ZNMCABMLGXNWPW-YOEHRIQHSA-N	313.206	1.011	50	20	DDGD	
CCCNC(=O)NN=C(C)c1cn(CC(=O)OC(C)(C)C)nn1	834945734	BPVIEGTWUYRXDU-UHFFFAOYSA-N	324.385	1.053	50	20	DDGD	
CSCCc1ccc(NCc2ccc(B(O)O)cc2)cc1	585013196	OKQGJZVXPUFPEQ-UHFFFAOYSA-N	301.220	1.884	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCCO[C@H](c2ccccc2)C1	732200865	CBNGCQFOUKVTOQ-ZFWWWQNUSA-N	319.405	1.396	50	20	DDGD	
CCNC(=O)CCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	732050876	KACXRIFATHPSKT-UHFFFAOYSA-N	321.421	1.267	50	20	DDGD	
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NNc1nc[nH]n1	839770495	VPEWUWHNDJPALZ-SNVBAGLBSA-N	304.310	1.425	50	20	DDGD	
Cc1nc(C2CC2)ccc1C(=O)NNC(=O)N=c1cc[nH]cc1	831939818	HJTUTVXYXPYPTL-UHFFFAOYSA-N	311.345	1.551	50	20	DDGD	
C/C(=C\C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1)C1CC1	919544692	NRZOINGZUZXVJR-FMIVXFBMSA-N	316.357	1.656	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2cccc(C(=O)O)c2)CN1C1CC1	833600548	LSIJQMHLDWDULM-GWCFXTLKSA-N	318.377	1.636	50	20	DDGD	
O=C(NNC(=O)[C@@]1(Cl)C[C@H]2CC[C@H]1O2)OCC(F)(F)F	912597321	QKIPAFGKZYILOT-HCVRKRLWSA-N	316.663	1.235	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)C1CCS(=O)(=O)CC1	748549358	WMMQLNVUBZDMES-UHFFFAOYSA-N	300.355	1.402	50	20	DDGD	
C=C(C)CNC(=S)NNC(=O)[C@@H](C)CN1CCCCCC1	747726181	QMJUNZRRTZVWCU-ZDUSSCGKSA-N	312.483	1.570	50	20	DDGD	
Cc1cc(C=NNC(=O)c2nn(C)c(=O)c3ccccc23)c(C)[nH]1	917569390	UVDDCHLEACHDAG-UHFFFAOYSA-N	323.356	1.642	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)CCn1cc(Cl)cn1	749799086	WPKLHERQAZQTNI-UHFFFAOYSA-N	320.780	1.707	50	20	DDGD	
CN(NC(=O)[C@H]1CCc2ncncc2C1)C(=O)OC(C)(C)C	843906501	JNQQXEPXMFOWCZ-JTQLQIEISA-N	306.366	1.480	50	20	DDGD	
O=C(CSCc1cscn1)NNC(=O)c1ccccn1	746822266	WHVWLEILFQFQFD-UHFFFAOYSA-N	308.388	1.233	50	20	DDGD	
COCCC(C)(C)C(=O)NNc1cc(O)nc2ncccc12	913991446	TXVRXUAMXYDWFG-UHFFFAOYSA-N	304.350	1.841	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NN=Cc2cnc3cnccn23)c1	746370585	MISUFCKQPQNKDO-UHFFFAOYSA-N	323.356	1.875	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cnnn1-c1ccccc1Cl	745476544	OSESMQQVHIERKJ-UHFFFAOYSA-N	305.725	1.092	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NN(C)C[C@H](C)O)n[nH]2)cc1C	910160855	OXNULBCTLUOPAM-LBPRGKRZSA-N	302.378	1.651	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)c1ccc(OC)c(OC)c1	749759424	WYAVFFAIELBJLJ-VIFPVBQESA-N	311.407	1.611	50	20	DDGD	
O=C(NN=C/C=C\c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1	747752248	XCJSEFITFSUMTI-NKNNTSRKSA-N	310.350	1.376	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(N(CC)C(C)=O)nc1	849173768	CIEWWENOWPRMPY-FMIVXFBMSA-N	302.334	1.837	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCn2ccnc2C1)c1ccccc1F	749174689	DHIKZKGAQNDOHB-JTQLQIEISA-N	302.309	1.046	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H](C)CCc1ccccc1F	843651835	FYZJFDSMYWRIFI-MBNYWOFBSA-N	322.380	1.967	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2ncncc2C1)NC1CCCCC1	843752303	OTTHUKQRRWIPLP-LLVKDONJSA-N	317.393	1.245	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1	910160953	QSFGYGSLZWQNAW-SSDOTTSWSA-N	321.255	1.571	50	20	DDGD	
CO[C@H](C=NNC(=O)[C@H](C)Oc1ccc(F)cc1)[C@H]1CCOC1	841611095	NXRZVFWSHNALME-SLEUVZQESA-N	324.352	1.747	50	20	DDGD	
COCc1ccc(C=NNC(=O)[C@@H](C)CN2CCOCC2)cc1	741758536	YWSZQLUHJKWREU-AWEZNQCLSA-N	319.405	1.251	50	20	DDGD	
C[C@H](COCC(=O)NNC(=O)[C@H]1CCCCO1)c1ccccc1	844550666	BQVGLTYKYDDWDC-UKRRQHHQSA-N	320.389	1.523	50	20	DDGD	
C[C@H](C=NNC(=O)CN1CCCC1=O)CCc1ccccc1	749158247	KSOXLNGBWMSHNH-AWEZNQCLSA-N	301.390	1.980	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)CC2CCCC2)cc1[N+](=O)[O-]	749950434	AOVUAHDOZDNYCK-UHFFFAOYSA-N	320.349	1.978	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1cccnc1)c1cc2ccccc2o1	749545478	NBVRUSRDZZGLMW-CQSZACIVSA-N	311.297	1.322	50	20	DDGD	
CC(=O)NNC(=O)c1c[nH]nc1-c1cccc(OC(F)F)c1	743284295	AQHPIEDRVWLGQW-UHFFFAOYSA-N	310.260	1.459	50	20	DDGD	
CCC(=NNC(=O)Cc1cc(O)nc(S)n1)[C@H]1CC1(C)C	841616570	PWLQYVUEHPETQG-SECBINFHSA-N	308.407	1.942	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(OCc2ccccc2)ccn1	742577237	OUSSPJZVXHJPFU-UHFFFAOYSA-N	300.318	1.234	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)C(=O)Nc2ccc(C)cc2)[C@H]1OC	841616332	IZLRZAFKAGHZHK-ZIAGYGMSSA-N	319.361	1.230	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1ccc2nc[nH]c2n1	755613609	PZJSBYKOIPDZAN-UHFFFAOYSA-N	323.238	1.524	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccccc1F)C(C)(C)CN(C)C	754357013	PVQZMMDZVNNOJK-NSHDSACASA-N	324.400	1.746	50	20	DDGD	
O=C(NN=Cc1cccc(Cl)c1)N[C@H]1CCS(=O)(=O)C1	920382092	WVULDZMRPDBVTQ-NSHDSACASA-N	315.782	1.160	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C/c1cccc(NS(C)(=O)=O)c1	853003100	CXKQGTBEIFWCOD-UKTHLTGXSA-N	321.402	1.881	50	20	DDGD	
COc1ccc(-c2cc(C(=O)NNc3ccncn3)n[nH]2)cc1	857520996	WIIVFOPFUAWIKD-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
COc1c(Cl)cccc1NC(=O)NNC(=O)c1cnccn1	756204722	QQOBPQHGXOPFIO-UHFFFAOYSA-N	321.724	1.605	50	20	DDGD	
O=C(COC(=O)C12CCC(CC1)C2)NNC(=O)c1ccccc1	752122376	KXFZPIWERVAJAJ-UHFFFAOYSA-N	316.357	1.571	50	20	DDGD	
COc1c(C(=O)NC[C@@]2(C)C[C@@H]2Br)c(C)nn1C	857687799	BJRNDRXVSRRWPV-QPUJVOFHSA-N	316.199	1.640	50	20	DDGD	
Cc1nnc(CC(=O)NNc2ncnc(Cl)c2C(C)C)o1	857545579	HDBHOBUFMOVMJF-UHFFFAOYSA-N	310.745	1.631	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCCc1c[nH]c2ccccc12	854929742	PNMWBWBNVMINOG-UHFFFAOYSA-N	304.419	1.958	50	20	DDGD	
CCOC(=O)NNC(=O)c1cccc([C@H]2CCCN(C)C2)c1	856759379	JAWCEHXLAFCAFM-AWEZNQCLSA-N	305.378	1.887	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1ccccc1F)[C@H]1CCCO1	756106540	PKSOZIXGMVNZGJ-CHWSQXEVSA-N	309.341	1.727	50	20	DDGD	
C#CCN1CCC[C@@H](NC(=O)NNc2ccc(F)c(F)c2)C1	924034174	BDSOQWDCICHHRJ-GFCCVEGCSA-N	308.332	1.689	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1)c1cnn(C)c1	920826342	DUDHMCLGKXYNGT-JHJVBQTASA-N	321.425	1.006	50	20	DDGD	
Nc1cc(C(=O)NN=Cc2cc(F)ccc2O)cc([N+](=O)[O-])c1	755564761	KDDBVNWEBTVANP-UHFFFAOYSA-N	318.264	1.786	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1csc([C@H]2CCCO2)n1	756130341	LNVSQYJYISKQPZ-SSDOTTSWSA-N	323.296	1.708	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@H](NS(C)(=O)=O)C(C)C	855366521	BSKJWCCHHHZRCT-GFCCVEGCSA-N	317.386	1.151	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C	854214454	YVXFUKKGZNOSFQ-SNVBAGLBSA-N	300.399	1.794	50	20	DDGD	
COc1ccc([C@@H]2C[C@H]2C(=O)NNc2nccn(C)c2=O)cc1	857144375	JTTFIIBLMYMZEW-QWHCGFSZSA-N	314.345	1.036	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cnn(C3CC3)c2)cc1	858141195	LUTUGZYGUZLUBK-UHFFFAOYSA-N	314.345	1.366	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccccc1NC(C)=O	755762022	LPHZDHGWLHZYJR-LLVKDONJSA-N	307.350	1.147	50	20	DDGD	
CNC(=S)N(C)NC(=O)C1(c2cccc(OC)c2)CCCC1	854924553	YICJLGASWHROFB-UHFFFAOYSA-N	321.446	1.974	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2nc3ccc(Cl)cc3s2)CCN1	856234115	MYFYKRVIESOBQZ-ZETCQYMHSA-N	324.793	1.919	50	20	DDGD	
Cn1ncc(C2CC2)c1C=NNC(=O)CNC(=O)OC(C)(C)C	853328971	SCHZXBOAMMHVJZ-UHFFFAOYSA-N	321.381	1.272	50	20	DDGD	
C[C@H]1C[C@@H](CCNC(=O)NNC(=O)c2cccc(F)n2)CCO1	852251641	YQAJPYCJHCUGNG-QWRGUYRKSA-N	324.356	1.370	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CNC(=O)C(C)(C)C)c1C	855628302	UGBGUKKSQZQRMZ-UHFFFAOYSA-N	321.377	1.387	50	20	DDGD	
O=C(NCc1c(F)c(F)cc(F)c1F)NNc1cccnn1	753043571	WTWMGCQERGNKAJ-UHFFFAOYSA-N	315.230	1.859	50	20	DDGD	
COCCCNC(=O)NNC(=O)/C=C/CCc1ccccc1	865016545	LYBSGHMNURZMQX-IZZDOVSWSA-N	305.378	1.542	50	20	DDGD	
CCOCCO[C@H](C)C(=O)N(C)NC(=O)OCc1ccccc1	862286611	CUFJKOHJGZYIQI-CYBMUJFWSA-N	324.377	1.728	50	20	DDGD	
COC[C@](C)(NC(=O)NNc1nccc(OC)n1)C(F)(F)F	932332480	XNBAAHWIEJMLDB-JTQLQIEISA-N	323.275	1.079	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(F)ccc1CC	869803755	XZNDMFSSZGLGHG-SECBINFHSA-N	310.325	1.491	50	20	DDGD	
CC(=O)NNC(=O)Nc1cccc(CS(=O)(=O)C(C)C)c1	765179862	CXFVDOKPFLSZLV-UHFFFAOYSA-N	313.379	1.182	50	20	DDGD	
CC(C)(COCc1ccccc1)C(=O)NNC(=O)c1cn[nH]c1	862470843	WBDITKBQMBIHMZ-UHFFFAOYSA-N	316.361	1.414	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C1(C(C)C)COC1	936036505	RHRYZOKKFPTVCY-UHFFFAOYSA-N	306.362	1.058	50	20	DDGD	
N#C/C(=C\c1cn(CC(=O)O)nn1)C(=O)c1c[nH]c2ccccc12	768848248	NAVQIAZASRLKKT-BJMVGYQFSA-N	321.296	1.634	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)c1cnn(CCN(C)C)c1	869239448	OJMQAOZZEASNHC-UHFFFAOYSA-N	305.357	1.649	50	20	DDGD	
Cc1cccc2cc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)sc12	862461963	NRDOIIQUZAYBMA-JTQLQIEISA-N	317.370	1.249	50	20	DDGD	
Cc1oc(C(C)(C)C)cc1C(=O)NNC(=O)C(=O)N1CCCC1	931246229	AXVBXKVATZLZAF-UHFFFAOYSA-N	321.377	1.269	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21	932245953	GPHCDDUXTKEWPY-KURSZUGOSA-N	316.357	1.211	50	20	DDGD	
CC(CCc1ccc(F)cc1F)=NNC(=O)[C@H]1CCC(=O)N1	863153537	VMHRFTQNDNXRAR-CYBMUJFWSA-N	309.316	1.668	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C1CCC(c2ccc(O)cc2)CC1	863185969	JJSIGWHWYPNRAL-UHFFFAOYSA-N	324.402	1.567	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H]2CCn3ccnc3C2)c1	862478202	DWHHMIFWMMWRDP-JTQLQIEISA-N	304.375	1.277	50	20	DDGD	
C[C@H](NC(=O)C1CCCC1)C(=O)NNc1nc2ccccc2[nH]1	768507059	MCSZXNFRDMMMJZ-JTQLQIEISA-N	315.377	1.701	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1	763441144	ROJQLYVFMISYHG-UHFFFAOYSA-N	319.361	1.411	50	20	DDGD	
CC(C)(C(=O)NNC(=O)C1(F)CCOCC1)c1ccccc1	865631159	JYKBSYWPIHKABG-UHFFFAOYSA-N	308.353	1.630	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1CC(=O)NNc1cc(C#N)cc(Cl)n1	769057896	ZPEAFNIUSJMPGA-AOOOYVTPSA-N	307.785	1.923	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=CC[C@H]1CCOC1	765558419	ZQTCCDMCMJJAKX-ZDUSSCGKSA-N	300.362	1.873	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)Nc1nc2ccccc2s1	877916498	FFGVDWVNXHIPFK-UHFFFAOYSA-N	320.374	1.876	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn3ccc(C)cc23)c(O)c1	766839157	DVUSRTNMJCULOI-UHFFFAOYSA-N	324.340	1.732	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](O)CN1C[C@H](CBr)C1CC1	879742943	UOVBZTUWORIXJM-HBNTYKKESA-N	306.200	1.016	50	20	DDGD	
COc1cc(C)cc(NC(=O)NNC(=O)C2CCOCC2)c1C	879395700	UICCIHMHCNEZPX-UHFFFAOYSA-N	321.377	1.891	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@H]1C=NNC(=O)[C@@H]1CCCCO1	872380064	BLMCXKYIELLUEQ-MELADBBJSA-N	320.393	1.652	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@@H]2CCN(CC(F)(F)F)C2)n1	875182513	QCHUFQCYXKBPDN-SNVBAGLBSA-N	317.315	1.653	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H](C)CN2CCOCC2)ccc1C	773024458	KYWUQXQKUCFXQK-AWEZNQCLSA-N	319.405	1.422	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)CC(F)(F)F)c1C	772433701	FBHSPVASKIGQBO-UHFFFAOYSA-N	306.288	1.705	50	20	DDGD	
Cc1noc(C)c1C(=O)NNc1nc(-c2ccncc2)no1	1115972771	HQYSSOYCPDDTCR-UHFFFAOYSA-N	300.278	1.493	50	20	DDGD	
C=CCc1cc(C=NNC(=O)COCCOC)cc(OC)c1O	872403804	ZRVLONBUYCWMJA-UHFFFAOYSA-N	322.361	1.242	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccsc1Br	875563233	AGRFKWSDNLEJDQ-UHFFFAOYSA-N	322.184	1.923	50	20	DDGD	
C[C@H](C(=O)NNc1ccccn1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	777475292	YRLXDUCJSOZUNW-UTUOFQBUSA-N	316.361	1.088	50	20	DDGD	
C[C@H](CC(=O)OC(C)(C)C)NS(=O)(=O)CBr	1116533587	DDVLWOSMQWQRJP-SSDOTTSWSA-N	316.217	1.379	50	20	DDGD	
CCSc1ccccc1C(=O)O[C@@H](C)C(=O)NNC(=O)CC	771971133	WETHLIFCHWCNNU-JTQLQIEISA-N	324.402	1.901	50	20	DDGD	
CC[C@H](CN1CCCC1)NC(=O)NNC(=O)c1cc(C)cs1	875373712	YWBRPBQFARFOKD-GFCCVEGCSA-N	324.450	1.875	50	20	DDGD	
CC(=O)N1CCc2c(NC(=O)NNc3ncccn3)cccc21	775796412	YBEKRVVFFCPDHY-UHFFFAOYSA-N	312.333	1.534	50	20	DDGD	
COc1ccc(C)cc1CNC(=O)NN=c1cc[nH]c(C)c1	875101469	MWZIJFSLZABPOR-UHFFFAOYSA-N	300.362	1.955	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN[C@@H](c2ccc(O)cc2)C1	870085702	PSSWFDFASZSGOX-HFBDAHEESA-N	301.346	1.309	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)C(=O)NNc1ccc2ccccc2n1	777463602	ZWTRIEHOOQEGGA-UHFFFAOYSA-N	323.356	1.911	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cc(-c2ccc3c(c2)CCO3)no1	771230247	YQCHMJZNJJJULJ-UHFFFAOYSA-N	315.329	1.694	50	20	DDGD	
CC(C)n1ccc(C(=O)NNc2cccc(S(C)(=O)=O)c2)n1	776537919	QITJVJFFEJRXFT-UHFFFAOYSA-N	322.390	1.624	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CN3CCN2C[C@@H]3C)c(Cl)c1	1123897325	DCKOWJOKFBZECU-SMDDNHRTSA-N	308.813	1.480	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)[C@H](C)CS(C)(=O)=O	885124677	BJQBPVPZMPBFKZ-SECBINFHSA-N	304.799	1.772	50	20	DDGD	
CCOCCOCCNC(=O)[C@@H](Br)C(C)(C)C	885758497	QVKLUPNYDDKVLS-SNVBAGLBSA-N	310.232	1.965	50	20	DDGD	
CSCCNC(=S)NNC(=O)CSCCC(C)C	770248515	ZIYPFSIIGALZSW-UHFFFAOYSA-N	309.526	1.624	50	20	DDGD	
NC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)CCc2ccccc2)C1	786864701	VLRCWZCJFQOMLF-UONOGXRCSA-N	317.389	1.058	50	20	DDGD	
C[C@H](OCc1ccccc1)C(=O)NNC(=O)C1CCOCC1	883061334	QHOTXOFKBDZTNZ-LBPRGKRZSA-N	306.362	1.166	50	20	DDGD	
COc1cccc(C[C@H](O)C(=O)NNC(=O)c2ccccc2)c1	785402251	QZJVWZVUOWYCFU-HNNXBMFYSA-N	314.341	1.060	50	20	DDGD	
COC(=O)[C@@H]1CCCC[C@@]1(C)NS(=O)(=O)CCCCl	882019649	QBQPETARPZMNPB-CMPLNLGQSA-N	311.831	1.657	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=Cc1ccccc1C(N)=O	788699432	DUDPHAJDKCTPMS-UHFFFAOYSA-N	321.340	1.506	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)Cc1ccc(F)cc1)c1ccsc1	788401422	SJGOIXLABHRQHE-AWEZNQCLSA-N	322.361	1.965	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1c[nH]nc1C1CC1	789760268	YYOHECVCHAJMOD-UHFFFAOYSA-N	311.305	1.489	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Cc1cnn(CC)c1)c1ccccc1	780654420	DGJSMVSUTCCTEC-HNNXBMFYSA-N	314.389	1.787	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C)c(C(C)=O)c1	789131581	BEJRYXLXIYCOFG-LLVKDONJSA-N	320.345	1.300	50	20	DDGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CCn2nccc21	795591752	DLSAGTNKBCDDCS-UHFFFAOYSA-N	311.794	1.873	50	20	DDGD	
CCc1cc(CNC(=O)NNC(=O)c2cccc(C)n2)on1	792956636	KFHUAFFEGUSEGS-UHFFFAOYSA-N	303.322	1.085	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NCC1(C#N)CC1	797583054	OVPODRSWOARLIJ-UHFFFAOYSA-N	316.361	1.262	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C#N)cc1)c1cc(C)n(C)n1	799868418	NZWHJMLMROQABH-UHFFFAOYSA-N	311.345	1.519	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1ccccc1CC#N	794580402	DHMMWDPYJUZIDU-UHFFFAOYSA-N	310.379	1.045	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2c(F)cccc2Cl)n1	1320336976	LOBDRLGJIXFNDG-UHFFFAOYSA-N	322.727	1.991	50	20	DDGD	
CCc1cc(OCC(=O)N2CC[C@H](B(O)O)C2)ccc1Cl	1329671774	LWFIIPPVVUPRSP-NSHDSACASA-N	311.574	1.357	50	20	DDGD	
CNc1ccc(C(=O)NNc2ccc(C(C)(C)C)nn2)cn1	1323203916	UMLYQAYBKVCZMX-UHFFFAOYSA-N	300.366	1.968	50	20	DDGD	
COc1cccc(NNC(=O)c2cc(=O)n(C)c3ccccc23)n1	1320053552	NFYKAJXXELFAAA-UHFFFAOYSA-N	324.340	1.699	50	20	DDGD	
Cn1ccc(NNC(=O)c2cccc(NC(=O)NC3CC3)c2)n1	1256185359	UUCAXAFJYNDHDG-UHFFFAOYSA-N	314.349	1.461	50	20	DDGD	
CN(NC(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1)C(N)=O	1325005890	JFQGKJZXAFRRMZ-UHFFFAOYSA-N	316.239	1.722	50	20	DDGD	
Cc1cc(F)ccc1CCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	1326749418	MPGHUDQWJGEPPV-BXUZGUMPSA-N	323.368	1.432	50	20	DDGD	
CO[C@H]1CCC[C@H]1C(=O)NNC(=O)Cc1ccc(Cl)cc1	1336022380	XBAXGXQYKHDLHU-OLZOCXBDSA-N	310.781	1.845	50	20	DDGD	
O=C(NN=Cc1ccccc1N1CCOCC1)c1cccnn1	1333197997	MAYWZIBMTULWFH-UHFFFAOYSA-N	311.345	1.077	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1cc(OC)nc2ccccc12	1332709290	MLACGPWGTJJABW-UHFFFAOYSA-N	318.333	1.656	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1oc(C2CC2)nc1C(F)F	1336556192	KXOXVMAJWXCKGS-UHFFFAOYSA-N	324.287	1.903	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2c[nH]nc2C(C)(C)C)cc1	1343873262	UPINEZTVANIZMQ-UHFFFAOYSA-N	316.361	1.791	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@@H]1C[C@H]2C=C[C@H]1C2	1343346876	HMGFDCDXJZUVJE-AVGNSLFASA-N	315.373	1.851	50	20	DDGD	
CC[C@]1(C(=O)OC[C@@]2(C)C[C@@H]2Br)CCNC1=O	1515801941	XZUOIONUFUJUKP-AXTRIDKLSA-N	304.184	1.619	50	20	DDGD	
O=C(NN=C1CC[C@H](C(=O)O)C1)Nc1ccc2c(c1)OCO2	1601552398	TXZBVOZIOWFWID-QMMMGPOBSA-N	305.290	1.778	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H](F)Cc2ccccc2)nc1	1608903768	NCBQGZKECBBDCY-LBPRGKRZSA-N	303.293	1.804	50	20	DDGD	
COc1cc(C(=O)NNc2cccc(C(=O)O)c2C)sn1	1607080348	VGNMGUOLFWUTBG-UHFFFAOYSA-N	307.331	1.915	50	20	DDGD	
Cc1nnc([C@@H](C)NC(=O)NNc2cccc(C(=O)O)c2)s1	1600792177	LCQICMPESLFSEO-SSDOTTSWSA-N	321.362	1.932	50	20	DDGD	
O=C(NNc1cc(Cl)nc2ncccc12)[C@H]1CC[C@H]1C(=O)O	1605815463	LMHJOHNNPMYNDW-JGVFFNPUSA-N	320.736	1.837	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@@H]2Cc3ccccc3O2)ccc1F	1602286971	WPIOMJVJBFCWMK-AWEZNQCLSA-N	316.288	1.971	50	20	DDGD	
COC[C@@H](NC(=O)NNc1ccc(F)c(C(=O)O)c1)C1CC1	1606808313	VPWURYLXHRRYEI-GFCCVEGCSA-N	311.313	1.575	50	20	DDGD	
CCc1[nH]c(C(=O)NN=c2cc[nH]c(C)c2)c(C)c1C(=O)O	1605766907	BNWKSKAYDFPGGJ-UHFFFAOYSA-N	302.334	1.466	50	20	DDGD	
Cn1ncc2c1C[C@@H](C(=O)NNc1ccccc1C(=O)O)CC2	1601031365	ZSYMEGMJUCAJAU-JTQLQIEISA-N	314.345	1.367	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNc2cccc(C(=O)O)c2C)n1	1607892387	XSONHGBMSRYHNQ-JTQLQIEISA-N	316.361	1.978	50	20	DDGD	
N#C/C(=C/c1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CCCOC1	1609492901	CWXWRFDTZCFDOW-IAOKNECISA-N	309.329	1.769	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)NC1CCC2(CC1)COC2	1608483618	SRXPSXLSYNVWBN-UHFFFAOYSA-N	319.361	1.970	50	20	DDGD	
CC1(CCNC(=O)NNc2cccc(C(=O)O)c2)OCCO1	1604572135	FSLOYRGTSWUGQA-UHFFFAOYSA-N	309.322	1.164	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@H]2CCCO2)cc1C(=O)O	1610508488	LTQLTENRJOOSOM-LLVKDONJSA-N	307.306	1.025	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CC2(N)CC2)ccc1OC(C)C	1579141991	FVOKNMGOVKAPQG-UHFFFAOYSA-N	321.377	1.125	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CC[C@@H]2CCCN2)c1C	1578878077	OKNBZUGDSUUMLO-LBPRGKRZSA-N	305.378	1.757	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@@H]1CCCC[C@@H]1N	1578505841	BDNXNQYFIIYVSR-KGLIPLIRSA-N	305.378	1.804	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H](C(C)C)[C@H](C)N)cc1C	1579727547	PCPGKQFQXYXZMP-XJKSGUPXSA-N	321.421	1.449	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ncoc1C1CC1	1593165582	RUXRKVWFUCUNJM-UHFFFAOYSA-N	311.305	1.489	50	20	DDGD	
CN1CCCC[C@H](CNC(=O)NNc2ncccc2C(=O)O)C1	1593780558	HKAQSQHOJWQJOJ-LLVKDONJSA-N	321.381	1.138	50	20	DDGD	
Cc1cc(N2C[C@H]3[C@H](Br)[C@H]3C2)cc(-c2nn[nH]n2)n1	1592011154	BMKPEIUYSVAQCV-JZYVYDRUSA-N	321.182	1.400	50	20	DDGD	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1cccc(C(=O)O)c1F	1598895492	DVWQSXPGBCCLRE-JGVFFNPUSA-N	310.281	1.166	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccc(F)c(C(=O)O)c1)c1cnn(C)c1	1592251311	APZCPJVYGGLVQN-VIFPVBQESA-N	320.324	1.894	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@@H]2CC(=O)O)C[C@H]1Br	1594018074	VIMKLUNPLYOBFI-KBVBSXBZSA-N	319.199	1.809	50	20	DDGD	
C[C@]1(CNc2cc(-c3nn[nH]n3)ccn2)C[C@H]1Br	1590134096	NNFLGYGSBFKIDN-LDYMZIIASA-N	309.171	1.847	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@]2(C(=O)O)CC=CCC2)c1	1593897500	PAWFANRCSMKVSI-MRXNPFEDSA-N	318.329	1.727	50	20	DDGD	
COc1ccc(C(=O)O)cc1C=NNC(=O)NC1CCCC1	1776040162	WZMXZQUWZDLEBC-UHFFFAOYSA-N	305.334	1.969	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)c2cn3c(n2)CCCC3)cc1	1776105403	FMLUGKNRPGJHIS-UHFFFAOYSA-N	312.329	1.682	50	20	DDGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)O)cc2)n(C)n1	1776130857	YPQDRRIPDWXUCM-WQLSENKSSA-N	310.313	1.972	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=Cc1cc(C(=O)O)c(Cl)s1	1776101901	BLVUDPBZABGAJQ-IONNQARKSA-N	316.766	1.975	50	20	DDGD	
C[C@H]1CC(NC(=O)NNC(=O)Cc2ccc(F)cc2)C[C@H](C)O1	162073506	DMRGHJVUDAKNCC-QWRGUYRKSA-N	323.368	1.655	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@H]2C=CCCC2)c1	153023239	UMHUSJFFPUXHNO-ZDUSSCGKSA-N	303.362	1.813	50	20	DDGD	
CCc1ccc([C@H](C)CC(=O)NNC(=O)C(=O)NC2CC2)cc1	155091862	VOMUGEFGJMGGTQ-LLVKDONJSA-N	317.389	1.169	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](CCCO)c2ccccc2)nn1	156287595	JZRAMRKXFDWQQA-AWEZNQCLSA-N	315.377	1.925	50	20	DDGD	
O=C(Cc1cc(F)c(F)cc1F)NNC(=O)NCC1CC1	157337974	QLPRGJOOUMFMMW-UHFFFAOYSA-N	301.268	1.387	50	20	DDGD	
O=C(CS(=O)(=O)C1CCCC1)NNc1ccncc1Cl	154581476	FAJBRILBWPISMM-UHFFFAOYSA-N	317.798	1.536	50	20	DDGD	
CCCC(=O)N1CCC[C@@H]1C(=O)NNc1ccc(OC)cn1	159080658	ZNEOPXWYQYZVKT-GFCCVEGCSA-N	306.366	1.324	50	20	DDGD	
Cn1c(=O)oc2cc(NC(=O)NNc3ncccn3)ccc21	159535883	FKIHTSHBZBDBJQ-UHFFFAOYSA-N	300.278	1.070	50	20	DDGD	
O=C(O)c1ccc(CNS(=O)(=O)CBr)cc1	309674470	LFWIWCLQAUBGJO-UHFFFAOYSA-N	308.153	1.157	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1cc(F)cc(F)c1	7608775	BVGVGSMRQUOCPJ-UHFFFAOYSA-N	321.239	1.948	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Cn2ccc3ccccc32)c1	103401158	NELJZBQOTKSQMT-UHFFFAOYSA-N	318.336	1.974	50	20	DDGD	
Cc1cc(C)c(OCC(=O)NNC(=O)c2cc(C)n[nH]2)c(C)c1	178371160	VLEYZFRWOHUOFZ-UHFFFAOYSA-N	316.361	1.483	50	20	DDGD	
N#Cc1ccc(NCC(=O)NNC(=O)CNc2ccccc2)cc1	104829758	CEHCGZMPMUQEHX-UHFFFAOYSA-N	323.356	1.230	50	20	DDGD	
O=C(CCCNC(=O)C1CC1)NNc1cc(F)c(F)c(F)c1	175492652	GMMAYSUNAYYGRQ-UHFFFAOYSA-N	315.295	1.853	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)c2cccc(C#N)c2)cn1	103401799	KHCWCDIZELYJAH-UHFFFAOYSA-N	310.313	1.427	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(-c3ccco3)on2)n1	174484504	AEAGAWQVGRRYLR-UHFFFAOYSA-N	315.289	1.799	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCc1ccc(C#N)cc1	67458026	CMBVWHUPEKAZJW-UHFFFAOYSA-N	324.340	1.711	50	20	DDGD	
O=C(NNc1cnccn1)[C@H]1CCCN(Cc2ccccc2)C1	114878280	YAKIJRTXGRBTNA-HNNXBMFYSA-N	311.389	1.832	50	20	DDGD	
N#CCOc1ccccc1C(=O)NNc1nccnc1Cl	114896688	DZFBKZREJFLXPU-UHFFFAOYSA-N	303.709	1.789	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)[C@@H]2CCCN2S(C)(=O)=O)c1	171982518	FYIPJJHAHDEXGM-ZDUSSCGKSA-N	311.407	1.171	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)c1c[nH]c2ccccc12	66308524	BCSGGDNQEIJMGF-LLVKDONJSA-N	301.346	1.910	50	20	DDGD	
CC1CCN([C@H](C)CNC(=O)NNC(=O)OC(C)(C)C)CC1	65477774	DEPXWWBJDBKXJK-GFCCVEGCSA-N	314.430	1.846	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1cccc2cccnc12	66701922	ZTMMFKONWFZXDG-UHFFFAOYSA-N	302.334	1.102	50	20	DDGD	
CCc1c(C(=O)NNC(=O)NC2CCCC2)[nH]c(C)c1C(C)=O	65919242	XQEBQNQTSPYPQJ-UHFFFAOYSA-N	320.393	1.975	50	20	DDGD	
COc1ccnc(NNC(=O)c2c(F)c(F)cc(F)c2F)n1	177526052	SWPAGXDYCRJPFC-UHFFFAOYSA-N	316.214	1.799	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNc1cc(F)c(F)c(F)c1	175501894	BUQXFNUFJBSRRK-UHFFFAOYSA-N	303.284	1.709	50	20	DDGD	
O=C(CSc1ccc([N+](=O)[O-])cc1)NNC(=O)NCC1CC1	65197410	QJWJTEFBVHQNSG-UHFFFAOYSA-N	324.362	1.427	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2cccc([N+](=O)[O-])c2C)o1	129014336	NHGLAMYEWWONRC-UHFFFAOYSA-N	317.301	1.808	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)c1cccnc1	186388277	ZBSOCLHWQWKHSU-UHFFFAOYSA-N	315.289	1.765	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccc(-c2cccc(F)c2)c(F)c1	184332871	WTMPFBCPBNMIMR-UHFFFAOYSA-N	321.283	1.777	50	20	DDGD	
C[C@@H]1CCC[C@H]1CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	186603253	ZSQDYMCDVQSWHD-FRRDWIJNSA-N	302.440	1.305	50	20	DDGD	
O=C(COCC1CC1)NNc1nnc(-c2ccccn2)s1	188175380	NKIBGOHOLFQLDR-UHFFFAOYSA-N	305.363	1.470	50	20	DDGD	
COc1ccc(F)cc1C(=O)NNC(=O)CNc1ccccc1	73445175	RQTZCMGRXOQDHV-UHFFFAOYSA-N	317.320	1.707	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2cccc(C#N)c2)c1	73315294	KSRCBPPSXAQJDU-UHFFFAOYSA-N	324.340	1.440	50	20	DDGD	
CC[C@@H](C)[C@H](C)C(=O)NNC(=O)COc1ccc(C#N)cc1	183378141	INELRZCOLBHZKS-NEPJUHHUSA-N	303.362	1.767	50	20	DDGD	
Cc1n[nH]c(SCC(=O)NNc2nnc(C3CC3)s2)n1	184486426	XATLEQZZOKJMQM-UHFFFAOYSA-N	311.396	1.077	50	20	DDGD	
COc1ccc(C)cc1NC(=O)NNC(=O)Cc1ccncc1	182781940	HBDSDOSIOSAPKV-UHFFFAOYSA-N	314.345	1.794	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNC(=O)CNc1ccc(C)cc1	76949850	GVTWGMMNBSBTOP-ZDUSSCGKSA-N	307.394	1.760	50	20	DDGD	
COCCCOCC(=O)NNc1ccc(OC(F)F)cc1	181482849	YHHZWXVEMRZOLR-UHFFFAOYSA-N	304.293	1.784	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(C)(Cl)Cl	182365090	GDAGYRADOJOCMM-ZETCQYMHSA-N	323.151	1.934	50	20	DDGD	
COCCn1ccc(C(=O)NNc2ccccc2[N+](=O)[O-])n1	188888130	LAIGTXDNLFQMTB-UHFFFAOYSA-N	305.294	1.195	50	20	DDGD	
CCCCNc1ccccc1C(=O)NNC(=O)Cc1cc[nH]n1	184416941	RBBVLVHOMZOYAH-UHFFFAOYSA-N	315.377	1.625	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1cnn(-c2ccccc2)c1	186015862	WTKKPVCHQDYNNB-UHFFFAOYSA-N	310.317	1.667	50	20	DDGD	
CO[C@H](C)CCC(=O)NNC(=O)COc1cc(C)cc(C)c1	182964941	ZOHDCZKXLCPAGF-CYBMUJFWSA-N	308.378	1.645	50	20	DDGD	
CCn1nnnc1-c1cccc(NC(=O)NNc2ccccn2)c1	180696115	KSYSCKZJQQZIGJ-UHFFFAOYSA-N	324.348	1.904	50	20	DDGD	
CC[C@H](Oc1ccccc1Cl)C(=O)NNC(=O)C(C)(C)O	190063550	BOSAJKHHTHIECZ-JTQLQIEISA-N	314.769	1.416	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NNc1ccc(C(F)(F)F)cn1	131692556	XTXAIOHFACXOKT-MRVPVSSYSA-N	319.287	1.381	50	20	DDGD	
NC(=O)N1CCC[C@H]1C(=O)NNc1ncc(Cl)cc1Cl	132871077	KUEBSUAWCCEHCS-QMMMGPOBSA-N	318.164	1.375	50	20	DDGD	
O=C(NNC(=O)c1cccc2ccccc12)c1cnc(S)[nH]1	193093467	AMJLNGTUENJTNJ-UHFFFAOYSA-N	312.354	1.926	50	20	DDGD	
NC(=O)Nc1cccc(C(=O)NNc2ccncc2Cl)c1	135884105	CTLCMHNKWLXBBK-UHFFFAOYSA-N	305.725	1.983	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCc2ncccc2F)cc1	132082812	FCXVFQMNAQWPKX-UHFFFAOYSA-N	316.336	1.927	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@@H](C)C(=O)NCc1ccccc1	139232758	YJAPXDNUKHXZMP-PBBNAPBQSA-N	301.346	1.251	50	20	DDGD	
O=C(C[C@@H]1OCCc2ccccc21)NNc1nc2ccccn2n1	191892537	RJNQMMADFTYAHU-AWEZNQCLSA-N	323.356	1.877	50	20	DDGD	
C[C@H]1CCCN(CCNC(=O)NNc2cccc(C#N)c2)C1	46392055	DJMUIZRFQXCQEM-ZDUSSCGKSA-N	301.394	1.916	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cc2ccc3c(c2)OCO3)cc1	142364314	LMAKKAIXMPKSNS-UHFFFAOYSA-N	323.308	1.291	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@@H](C)C#N)c1C	255137898	GHLXXOKISHLPNX-LUMBYOQCSA-N	314.389	1.934	50	20	DDGD	
CCOC(=O)c1[nH]ncc1/C=C(\C#N)C(=O)NC1CCCCC1	268230923	LQCRTVKRMQCTBD-DHZHZOJOSA-N	316.361	1.942	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)NC3CCCCC3)nc21	269316101	ZPSKSCCDPPBCKG-UHFFFAOYSA-N	305.342	1.028	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)Cc2ccccc2F)c1C1CC1	264513807	ZGSBBHVJOQOQAL-UHFFFAOYSA-N	316.336	1.440	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C[C@@H]2COC(=O)C2)cc1C	268843958	RGINAOFHFXLAKV-NSHDSACASA-N	321.402	1.574	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)c2ccccc2C)c1C	263780033	GSJCMSWORBTTDB-UHFFFAOYSA-N	300.362	1.903	50	20	DDGD	
N#C/C(=C\c1cccc(OCC(=O)O)c1)C(=O)N1CCCC1	264883663	DIRFSWBONXLJHR-MDWZMJQESA-N	300.314	1.679	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNC(=O)CNc1cccc(OC)c1	263992934	HGDQDHZGBXOOFS-GFCCVEGCSA-N	323.393	1.460	50	20	DDGD	
COCCOC1CCC(C(=O)NNC(=O)c2cccnc2)CC1	279521582	BGDRUGVFLRFXIN-UHFFFAOYSA-N	321.377	1.064	50	20	DDGD	
O=C(NC[C@@H]1CCCCN1C1CC1)NNc1ccc(Cl)nn1	277931410	WIURCUUEEZANIF-NSHDSACASA-N	324.816	1.773	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(C2CCOCC2)C[C@@H]1C	279199120	LKDJIWPUEQBFSQ-REQDGWNSSA-N	307.394	1.142	50	20	DDGD	
CCCCS(=O)(=O)NNC(=O)CSc1ccccc1O	270591528	CLJRATGTIGUJOD-UHFFFAOYSA-N	318.420	1.235	50	20	DDGD	
CO[C@]1(C)CCCN(CC(=O)NNC(=O)c2ccccc2)CC1	366485024	JTEIQVOPVAZOKH-QGZVFWFLSA-N	319.405	1.339	50	20	DDGD	
CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NNc2ccncc2)C1	272527163	MLGHBXFADXWFEQ-LBPRGKRZSA-N	322.365	1.161	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(CCO)CC(F)F	279802752	MNPVGWNYLNVNLD-UHFFFAOYSA-N	309.744	1.438	50	20	DDGD	
Cn1c(NNC(=O)[C@@H]2CCCCS2)nc2ccccc2c1=O	272995360	YCCSWPHVNKQAHL-LBPRGKRZSA-N	318.402	1.662	50	20	DDGD	
COC(=O)CCc1ccc(NC(=O)NNC(=O)CC(C)C)cc1	273373616	GPHYDGHYTIGLJK-UHFFFAOYSA-N	321.377	1.991	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)C(C)(C)c2ccccc2)CCO1	271309934	WOFAHJZHDDFSIL-OCCSQVGLSA-N	319.405	1.862	50	20	DDGD	
CN(C)C(=O)CCCC(=O)NNc1ccc(C(F)(F)F)nn1	270032793	HUTUONDLLMOJRX-UHFFFAOYSA-N	319.287	1.197	50	20	DDGD	
CC(C)[C@H]1C[C@H](CC(=O)NNC(=O)c2ccccn2)CCO1	273051016	BNSDQWJOONULCP-TZMCWYRMSA-N	305.378	1.684	50	20	DDGD	
O=C(NNc1ncccc1F)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	286848166	XQWSXWLAOKIAKK-JLLWLGSASA-N	306.341	1.804	50	20	DDGD	
C=CCCCCCCCCNC(=O)NNC(=O)C(=O)NC1CC1	288005169	PFBYRQFNJPUEBZ-UHFFFAOYSA-N	324.425	1.512	50	20	DDGD	
COCCOCCC(=O)NNc1ccc2c(O)nccc2c1	285801656	UZIDNTFQDRIZQZ-UHFFFAOYSA-N	305.334	1.437	50	20	DDGD	
COCC1(C(=O)NNc2ccc(F)cc2F)CCOCC1	289831921	ASJZOHUTZPJKAW-UHFFFAOYSA-N	300.305	1.851	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(NCC3CC3)nc2)[nH]n1	282279539	TXGSLERPWMBLIK-UHFFFAOYSA-N	314.349	1.010	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@](O)(C2CC2)C1	373254216	GYCGCOXEQYWFFD-OAHLLOKOSA-N	311.813	1.726	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)CCCc2ccccc2)C1	286659645	LLGITDDSVUGLLZ-UHFFFAOYSA-N	304.390	1.972	50	20	DDGD	
C#Cc1cncc(C(=O)NNc2nc(-c3ccccc3)no2)c1	806774795	HVTRPFMEOQJCRU-UHFFFAOYSA-N	305.297	1.870	50	20	DDGD	
CO[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1ccc(C)o1	295141322	OQGOOEPNUGJZEH-AWEZNQCLSA-N	302.330	1.607	50	20	DDGD	
CC(C)=C[C@@H]1[C@@H](C(=O)NNC(=O)N=c2cc[nH]cc2)C1(C)C	802028535	BEIAKRVIDIVBGA-OLZOCXBDSA-N	302.378	1.895	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccn(-c2ccccc2)n1	295341763	HZVYILIGLUGOBE-CQSZACIVSA-N	314.345	1.202	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H]1CCCc2ccccc21	802030091	WTRZIUKOZLYELK-OAHLLOKOSA-N	310.357	1.776	50	20	DDGD	
O=C(NNC(=O)c1cccc2c1OCCO2)Nc1ccccc1	801988070	JIDCMOZDSOHPBX-UHFFFAOYSA-N	313.313	1.924	50	20	DDGD	
CC1CCN(C(=O)C(=O)NN=c2cc[nH]c3ccccc23)CC1	802528115	QAJVTIXNCZDGPH-UHFFFAOYSA-N	312.373	1.358	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)COCc1cccnc1	807426351	MSCLZOFLKIGKAP-UHFFFAOYSA-N	301.350	1.655	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccccc1S[C@@H](C)C(N)=O	801140167	CSCRELGOZGROKZ-VIFPVBQESA-N	324.406	1.007	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cccc1[N+](=O)[O-]	294125998	GAJGDMBVKVGSHR-UFBFGSQYSA-N	307.306	1.232	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccn(C)c(=O)c1	805378972	PHTJWHQWBBKUGD-UHFFFAOYSA-N	302.290	1.359	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1C	805380142	DSWINIHZUKSUJX-AWEZNQCLSA-N	320.349	1.747	50	20	DDGD	
CSc1cccc(F)c1C(=O)NNC(=O)[C@@H]1CCCCO1	295383306	KWTHQSAGCUDZHH-JTQLQIEISA-N	312.366	1.878	50	20	DDGD	
CC(=O)CCCC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802096955	KHQUHJLVYVCINS-UHFFFAOYSA-N	307.306	1.327	50	20	DDGD	
COc1cc(CC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)ccc1C	294394405	XEZVWULJYNEOEA-AAEUAGOBSA-N	306.362	1.261	50	20	DDGD	
CC(C)CNC(=O)N1CCC[C@@H](C(=O)NNC(=O)CC2CC2)C1	819117829	FUEMVSKNWJBZIO-CYBMUJFWSA-N	324.425	1.012	50	20	DDGD	
CN(NC(=O)c1ccc(N2CCNC2=O)cc1)c1ccccc1	812640323	KWCPPKNRZIUVCY-UHFFFAOYSA-N	310.357	1.997	50	20	DDGD	
CC(=NNC(=O)Cc1ccncc1)c1cc([N+](=O)[O-])ccc1N	814863839	FJALPGUJUKBCDC-UHFFFAOYSA-N	313.317	1.655	50	20	DDGD	
Cn1cnc2c(C(=O)NNc3cccc(Cl)n3)ccnc21	817008055	CCIFLYGZUFFTGW-UHFFFAOYSA-N	302.725	1.774	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H](C)NC(C)=O)cc1C	812721921	FUQQBPKDJHRNPT-SNVBAGLBSA-N	307.350	1.139	50	20	DDGD	
N#Cc1cccc(-n2ccc(C(=O)NNc3ncncc3F)n2)c1	817078294	YHPSHORPZSMVGY-UHFFFAOYSA-N	323.291	1.430	50	20	DDGD	
C=CCC(F)(F)C(=O)NNC(=O)c1c(C)nc2ccccn12	814800120	KOWHYPAIHUPVTO-UHFFFAOYSA-N	308.288	1.615	50	20	DDGD	
CC(=NNC(=O)c1nn(-c2ccccc2)cc1O)c1cc[nH]n1	814757545	HHBLEUPPAZCVQP-UHFFFAOYSA-N	310.317	1.455	50	20	DDGD	
C[C@H]1C(=NNC(=O)COc2ccccc2O)CC[C@@H]1CC(=O)O	814953992	YKGIUWQNTOZJJS-GHMZBOCLSA-N	320.345	1.764	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCc1nc(N(C)C)no1	812220339	HOAYTAORTGFBCA-UHFFFAOYSA-N	308.317	1.409	50	20	DDGD	
C[C@H]1CCC[C@]1(C)C(=O)NNc1nc(O)c2cnn(C)c2n1	823325647	DTGQDVGQGDFOFR-RTHLEPHNSA-N	304.354	1.338	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(CN(C)C(=O)C(C)C)cc1	492007182	LFJIQMCOHVAPQK-UHFFFAOYSA-N	321.377	1.692	50	20	DDGD	
CCN(Cc1cccs1)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	827316038	YASLLJMAOBKCPI-ZYHUDNBSSA-N	311.407	1.736	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)Cc1cc(=O)n(CC(C)C)[nH]1	824849788	MIJXEJMTMBNZLD-UHFFFAOYSA-N	320.368	1.966	50	20	DDGD	
CC(=O)N[C@@H](CC(=O)NNC(=O)CC(C)C)c1cccs1	822235736	SVNQESJRQDFMDF-NSHDSACASA-N	311.407	1.509	50	20	DDGD	
CCO/C=C\C(=O)NNc1c(OC)cccc1S(C)(=O)=O	493759460	RABUTVRXFHBWMS-HJWRWDBZSA-N	314.363	1.092	50	20	DDGD	
CO[C@H](C)CNC(=O)NNC(=O)Cc1cccc2ccccc12	821723455	ZPHWKKMVXNLRBN-GFCCVEGCSA-N	315.373	1.748	50	20	DDGD	
CCO/C=C/C(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1	493301586	MQEYYXMFWZRDOA-VOTSOKGWSA-N	320.353	1.280	50	20	DDGD	
CCC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)C(=O)N1CCCC1	728399701	GVHYOGCYUFEIQQ-OLZOCXBDSA-N	324.425	1.298	50	20	DDGD	
O=C1C[C@H](C(=O)NNC(=O)C2CCCC2)[C@H]2CCCC[C@@H]2N1	821754365	AJBZKDKWUSJXQG-AGIUHOORSA-N	307.394	1.019	50	20	DDGD	
CCOC(=O)NNC(=O)c1csc(Nc2ccccn2)n1	491568577	NRWXJCJKCTZGKN-UHFFFAOYSA-N	307.335	1.673	50	20	DDGD	
O=C(NNc1ccccc1)NC1CCN([C@@H]2CCOC2)CC1	823126507	YLVQJHWFSBDVOM-OAHLLOKOSA-N	304.394	1.566	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CNC(=O)OCC(F)(F)F	496654946	LUSJARVWOYJEBW-UHFFFAOYSA-N	311.087	1.537	50	20	DDGD	
COCc1nccc(NC(=O)NNc2nccnc2C(C)C)n1	825489870	QAKJTZOHVSDCBV-UHFFFAOYSA-N	317.353	1.685	50	20	DDGD	
CN(NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C1CC1	496660268	MXYSFVWCNHDJPU-HNNXBMFYSA-N	317.389	1.913	50	20	DDGD	
CC(C)c1ccc(NNC(=O)N[C@H]2CCC(=O)N(C)C2=O)cc1	824788226	KUGFTUILWDHMLD-ZDUSSCGKSA-N	318.377	1.584	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(CNC(=O)OC(C)C)cc1	491498550	IVATYRWKLXZUHI-UHFFFAOYSA-N	324.337	1.714	50	20	DDGD	
C[C@@H]1c2ccsc2CCN1C(=O)c1cc(B(O)O)ccc1F	584925878	RRVBIQAGYUKKNC-SECBINFHSA-N	319.166	1.327	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@]2(C)CCC[C@@H]2C)cc1	822222029	QXSIIIYJXIJPJT-YVEFUNNKSA-N	317.389	1.907	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)c1cc2n(n1)CCC2	822201514	KJWQITNSZDGHNG-UHFFFAOYSA-N	316.386	1.454	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cscn1	728512315	OOVQXBFXNPHYEB-UHFFFAOYSA-N	300.343	1.628	50	20	DDGD	
CC(C)(C=NNC(=O)c1cccc(-c2nn[nH]n2)c1)CCC#N	824152806	OAGMYFYSVOKIJZ-UHFFFAOYSA-N	311.349	1.912	50	20	DDGD	
CCc1c(NCc2ccc(B(O)O)cc2)cnn1C1CCCC1	585037905	NEYKSIKKVSTXCH-UHFFFAOYSA-N	313.210	1.853	50	20	DDGD	
CCC(CC)c1cc(CNC(=O)c2ccc(B(O)O)cc2)on1	584952949	QUIDEUWKPDFMBL-UHFFFAOYSA-N	316.166	1.188	50	20	DDGD	
CCOC(=O)NN=Cc1cccc(C=NNC(=O)OCC)c1	490542647	ZNKJKVBJLQOFSI-UHFFFAOYSA-N	306.322	1.847	50	20	DDGD	
CC(C)(C)OC(=O)NNS(=O)(=O)c1ccc2c(c1)OCO2	495443434	RJERGERJIJDZDN-UHFFFAOYSA-N	316.335	1.133	50	20	DDGD	
C=C(CI)n1cc([C@@](C)(N)CC)nn1	900641411	SLHNCFIKSSTRQH-VIFPVBQESA-N	306.151	1.768	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)OC[C@H]2CNC(=O)O2)c1	495716426	IBEBVMNNAZUBJV-HQIZRNBFSA-N	302.286	1.254	50	20	DDGD	
Cc1cc(C)c2c(c1)CN(C(=O)c1ccc(B(O)O)cc1)CC2	584973211	BQOFSSCXFQJBRU-UHFFFAOYSA-N	309.174	1.182	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N[C@H](CO)CN1CCCC1	908206925	VFJGYGDIGDENFS-MBSJSRAVSA-N	317.364	1.306	50	20	DDGD	
C#CCN(CC#CC)CC(=O)NNC(=O)c1cccc(Cl)c1	490838351	AWBNJFPKIODPRN-UHFFFAOYSA-N	317.776	1.060	50	20	DDGD	
O=C(c1cnn(-c2ccc(Cl)cc2)c1)N1CC[C@@H](B(O)O)C1	585074654	CBAMZGZGDCRTRR-LLVKDONJSA-N	319.557	1.215	50	20	DDGD	
Cc1c(C(=O)Nc2cccc(B(O)O)c2)cnn1CCC(C)C	584912415	NFBMGNXVFLFWHH-UHFFFAOYSA-N	315.182	1.170	50	20	DDGD	
C=CCCC(=O)[C@@H]1CCCN1C(=O)/C(C#N)=C\c1cnn(C)c1	908660776	ONBKJJLONBRPMV-MZLJFPOFSA-N	312.373	1.853	50	20	DDGD	
O=C1CC[C@@H](CC(=O)NNc2cccc3c2CCCC3)CN1	836778850	LLWMOSDWCISQOU-LBPRGKRZSA-N	301.390	1.925	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNc2nc(C)cc(C)n2)C12CCC2	838768456	QUOAVMFRWCZFEB-RYUDHWBXSA-N	305.382	1.677	50	20	DDGD	
C=CCN(CC=C)C(=O)COC(=O)/C(C#N)=C/c1cnn(C)c1	837968804	GOOARSZHKDDXES-RIYZIHGNSA-N	314.345	1.071	50	20	DDGD	
CCO[C@H](Cc1nc(-c2ccc(B(O)O)cc2)no1)C(C)C	585050567	CUQYOFNYJYMLFB-CYBMUJFWSA-N	304.155	1.020	50	20	DDGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)[C@@H](O)C1CC1	830810783	UNHRNJDNZIZKDQ-NSHDSACASA-N	304.268	1.842	50	20	DDGD	
CO[C@@H]1COCC[C@H]1CNC(=O)NNc1cc(Cl)ccn1	836575881	SXNLXWIWIHGGPT-GXSJLCMTSA-N	314.773	1.413	50	20	DDGD	
CCCc1ccc(C(C)=NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1	730576617	IMVUCGNOLPXODA-HNNXBMFYSA-N	322.430	1.914	50	20	DDGD	
C[C@]1(C(=O)N2CCC3(CC2)CNC(=O)C3)C[C@@H]1Br	906869660	IVPHVCNEBMLXIQ-CABZTGNLSA-N	315.211	1.289	50	20	DDGD	
Cc1ccccc1C(C)(C)C(=O)NNC(=O)[C@@H]1CCCCO1	833247224	ZKDZUWNSYWPNBA-AWEZNQCLSA-N	304.390	1.989	50	20	DDGD	
O=S(=O)(CCl)NCc1cc(F)ccc1N1CCOCC1	830658027	KEBPOFOFVMTVQZ-UHFFFAOYSA-N	322.789	1.278	50	20	DDGD	
COCCOCC(=O)NNC(=S)Nc1c(C)cccc1C	733124084	QZFUBKNAWLRSGD-UHFFFAOYSA-N	311.407	1.284	50	20	DDGD	
Cc1ccc(-c2n[nH]cc2C=NNC(=O)[C@@H]2CCCCO2)o1	834989068	PKGSQOURIADGRS-ZDUSSCGKSA-N	302.334	1.997	50	20	DDGD	
CC(C)CCO[C@H](C)c1nc(-c2cccc(B(O)O)c2)no1	585051946	PTYKOYGZMQWFEU-LLVKDONJSA-N	304.155	1.540	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cn(Cc2ccccc2)nn1	901257768	CIMFTJUNFQEYQK-WFASDCNBSA-N	313.361	1.202	50	20	DDGD	
C=CCN(C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br)C1CC1	1351192953	SZHDVKQYPATRKA-ZWNOBZJWSA-N	315.211	1.453	50	20	DDGD	
CC[C@H](NS(=O)(=O)CCl)[C@@H](O)c1c(F)cccc1F	830750024	CAKVMUIUXNVCAT-GXSJLCMTSA-N	313.753	1.893	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)[C@H](C)CN2CCCCCC2)n1	834934505	NHSFWUYJAZYPTC-CYBMUJFWSA-N	320.441	1.569	50	20	DDGD	
O=C(NN[C@@H](C(=O)O)c1cccnc1)c1cccc2ncccc12	833149051	YQVKTIOWFRTPCQ-OAHLLOKOSA-N	322.324	1.690	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C	910162292	FTWZHZHSBGMXLF-NEPJUHHUSA-N	315.414	1.120	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cccc(Oc2nccs2)c1	910161908	AANVMGFCFBAKQS-SNVBAGLBSA-N	307.375	1.893	50	20	DDGD	
COc1cc(OC)c(C=NNC(=O)[C@@H]2CCCCO2)c(OC)c1	834988904	BBTPSLSFDBBQQL-ZDUSSCGKSA-N	322.361	1.732	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccccc1C(=O)O)N1CCCC1=O	833636218	LTVTYAUPFSERTH-LBPRGKRZSA-N	305.334	1.229	50	20	DDGD	
O=C(NNc1ccncn1)N[C@@H]1CC[C@@H]2SCCS[C@H]21	836378460	HSLVYQKLNASLCS-YWVKMMECSA-N	311.436	1.482	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNc2cc(O)nc3ncccc23)CCO1	913991633	ZNWZUEJLEKDWIR-VHSXEESVSA-N	302.334	1.594	50	20	DDGD	
C[C@@H]1C(=O)Nc2cc(C(=O)NNc3ncccn3)ccc2N1C	749892616	DSDOSTHNLRLSEB-SECBINFHSA-N	312.333	1.010	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)[C@@H](O)c1cccnc1	749281257	PEDHZLSHVOXPNG-LBPRGKRZSA-N	309.272	1.860	50	20	DDGD	
NC(=O)c1cc(C(=O)NNC(=O)c2cccc3ccccc23)c[nH]1	741695526	IJGPJHAOGBOFAK-UHFFFAOYSA-N	322.324	1.342	50	20	DDGD	
CC(=O)Nc1ccc(S[C@H](C)C(=O)NNC(=O)N(C)C)cc1	746001627	QKOMIPYWSFKTGV-SECBINFHSA-N	324.406	1.428	50	20	DDGD	
C[C@@]1(C(=O)N2CCC(c3nn[nH]n3)CC2)C[C@@H]1Br	913745944	HXGMHYJGNKQKJZ-GZMMTYOYSA-N	314.187	1.079	50	20	DDGD	
Cc1c(C(=O)NN(C)C[C@H](C)O)cnn1-c1ccccc1F	910175499	PVXNSJMZADFCRM-JTQLQIEISA-N	306.341	1.277	50	20	DDGD	
Cc1nnn(NC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)c1C	914020745	NLNZZGAIKFHMGH-JBLDHEPKSA-N	313.199	1.919	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1nc2ccccc2n1C	744761677	FXYUSZPTYACBMR-UHFFFAOYSA-N	313.361	1.036	50	20	DDGD	
Cn1ccnc(NNC(=O)c2scnc2C(C)(C)C)c1=O	747942465	WVXVAAUIVLJVGL-UHFFFAOYSA-N	307.379	1.291	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C[C@]1(C)CC1(Cl)Cl	843658906	HDPMKBXSGDWZPR-DKCNOQQISA-N	309.193	1.533	50	20	DDGD	
CCn1ccc(C(=O)NNC(=O)C(C)(C)c2ccccc2)n1	843545925	GJOHZGMXYLOXQP-UHFFFAOYSA-N	300.362	1.642	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2C[C@H](C)[C@@H](C)[C@H]2C)cc1	842167150	RJNGTQKIDZVMNB-BFHYXJOUSA-N	303.406	1.732	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1cccc(-c2ccccn2)c1	747754677	BPYSGJLLPGBDPS-UHFFFAOYSA-N	322.368	1.821	50	20	DDGD	
CC[C@@](O)(CC(=O)NNC(=O)c1cc(C)[nH]n1)c1ccccc1	840406943	BMDQLTCQYOKCNY-MRXNPFEDSA-N	316.361	1.167	50	20	DDGD	
CC(C)COc1cccc(OCC(=O)NN(C)C[C@@H](C)O)c1	910161374	YJRKBSQEYNVSFA-CYBMUJFWSA-N	310.394	1.444	50	20	DDGD	
Cc1cccc2[nH]cc(CC(=O)NNC(=O)[C@H]3CCO[C@@H]3C)c12	843653609	XMMUAWIUBKJRCY-YPMHNXCESA-N	315.373	1.591	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@@H]1CCC[C@@H](N)C1)c1ccccc1	841981293	YFGPENXZBYOGGJ-KFWWJZLASA-N	318.421	1.781	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCC(=O)c2ccccc21	843656168	OXQLTAIBZZCYTK-MJVIPROJSA-N	316.357	1.319	50	20	DDGD	
CCc1n[nH]cc1C(=O)Nc1cccc(NC(=O)NN(C)C)c1	843870644	LZMRNTOLWBDBNZ-UHFFFAOYSA-N	316.365	1.823	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1[C@H]2CCCO[C@H]2C1(C)C	743430940	NIXUYYXPISHECI-UMVBOHGHSA-N	323.437	1.262	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2nnc(O)c3ccccc23)CCN1C	741455809	FHMKYKZFHSMLHC-SNVBAGLBSA-N	313.361	1.535	50	20	DDGD	
O=C(CCc1nc(-c2ccoc2)no1)NNc1cccnn1	740088044	UJKMFDBHURYTTP-UHFFFAOYSA-N	300.278	1.196	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2nnc(-c3ccccc3)o2)CCN1C	741461626	MTNOIXLRMDDUEW-NSHDSACASA-N	313.361	1.937	50	20	DDGD	
CCc1ccccc1OCCC(=O)NNC(=O)c1ncccn1	841352403	JTJZQVQVAHTSFL-UHFFFAOYSA-N	314.345	1.269	50	20	DDGD	
C[C@@]12CCCN1C(=O)N(C[C@@]1(C)C[C@H]1Br)C2=O	857227418	MUASLINALFMFOJ-FXAINCCUSA-N	301.184	1.977	50	20	DDGD	
CO[C@H](C=NNC(=O)NCCc1cccs1)[C@H]1CCOC1	841621605	KHANMQJEZAITDX-WCQYABFASA-N	311.407	1.627	50	20	DDGD	
COCC1(CC(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)CC1	843754657	XLOBRSQEMVBRRJ-NSHDSACASA-N	324.352	1.557	50	20	DDGD	
Cn1nncc1NNC(=O)[C@]1(C(=O)OC(C)(C)C)CC1(C)C	857270246	VCFCOBOBHZSAJY-AWEZNQCLSA-N	309.370	1.016	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1C(C)=NNC(=O)[C@@H]1CCO[C@H]1C	853369562	ZVGHGDQORNLLNI-GXFFZTMASA-N	321.333	1.869	50	20	DDGD	
COC1(C(=O)NNc2nc3ccccc3c(=O)n2C)CCCC1	754229602	WYBJCNYDCGOOIV-UHFFFAOYSA-N	316.361	1.336	50	20	DDGD	
C[C@H](CNC(=O)NC[C@@]1(C)C[C@H]1Br)N(C)C1CC1	856840507	RCWAVPZISYKTTO-IRUJWGPZSA-N	318.259	1.942	50	20	DDGD	
C[C@]1(C(=O)N2CC[C@@H](C3OCCO3)C2)C[C@@H]1Br	927997473	VCLDVQKNBSLIQO-PTRXPTGYSA-N	304.184	1.381	50	20	DDGD	
CCSc1ccccc1C(=O)NNC(=O)CN1CCCC1=O	751618524	RUAMSRYLXSBLOO-UHFFFAOYSA-N	321.402	1.182	50	20	DDGD	
C[C@H]1CN(C2CC2)CC1=NNC(=O)Nc1ccc(C(=O)O)cc1	755892318	SVBCPIDTDRRWHE-JTQLQIEISA-N	316.361	1.976	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2CCCN2C=O)cc1	854206233	KHRHJAKNXRRQIM-AWEZNQCLSA-N	317.389	1.366	50	20	DDGD	
CN(CC(=O)NNC(=S)NCC1CCC1)c1ccccc1	855091739	CDZBTSAWRZZFKD-UHFFFAOYSA-N	306.435	1.418	50	20	DDGD	
C[C@@H](C[C@H]1CCOC1)NC(=O)NNC(=O)c1cccc(C#N)c1	759748212	VGUJITAAQPENPD-WCQYABFASA-N	316.361	1.317	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1cc([N+](=O)[O-])c[nH]1	754778734	MZTZZMXNDLLDJH-UHFFFAOYSA-N	316.199	1.489	50	20	DDGD	
CC[C@H](CS(=O)(=O)NC[C@]1(C)C[C@@H]1Br)OC	856753226	PPHKRGXBDBREIW-UTLUCORTSA-N	314.245	1.504	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NN=c2cc[nH]cc2Cl)C1	857861823	VHYVTWMQMTUZAO-WCBMZHEXSA-N	305.769	1.689	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@@H]2CCC[C@H]21)c1cccc(F)n1	852709231	PTBQDPJZFVMTGM-CMPLNLGQSA-N	306.341	1.840	50	20	DDGD	
C=C(CBr)COC(=O)COc1c(C)occc1=O	923951437	VOPPRUXMMYMZNU-UHFFFAOYSA-N	317.135	1.821	50	20	DDGD	
C[C@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)c1ccccc1F	759765385	AXFDHTSKZMZUOY-MNOVXSKESA-N	309.341	1.585	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1C	855624463	OSFCIIQVXICYQO-QKCSRTOESA-N	304.346	1.792	50	20	DDGD	
Cn1cccc1C(=O)NN=Cc1ccc(Br)nc1	756876434	ORORHVFYOUKZBK-UHFFFAOYSA-N	307.151	1.947	50	20	DDGD	
C[C@H]1COC[C@H]1NC(=O)NNC(=O)Nc1ccc(Cl)cc1	926021482	XZIZSAGUSDVCJL-GZMMTYOYSA-N	312.757	1.711	50	20	DDGD	
CN(C)N(C(=O)c1ccsc1Cl)[C@@H]1CCS(=O)(=O)C1	854516632	NRUHWCHTCJAULN-MRVPVSSYSA-N	322.839	1.507	50	20	DDGD	
CC(C)n1ccc(CC(=O)NNc2cc(Cl)nc(N)n2)n1	753450828	ZXSZQHRJPRHNOY-UHFFFAOYSA-N	309.761	1.175	50	20	DDGD	
CC[C@@H](C)[C@H](CNC(=O)NNc1ncc(Cl)cn1)OC	856908441	RACFGAYALYNSMZ-SCZZXKLOSA-N	301.778	1.817	50	20	DDGD	
CC(=O)N1CC[C@@H](NC(=O)NNc2cc(F)cc(Cl)c2)C1	856967063	MFFCQICNBGOOCQ-LLVKDONJSA-N	314.748	1.726	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=S)NCC2CCC2)cc1O	855089535	VGKREHWWRIHVBN-UHFFFAOYSA-N	307.419	1.539	50	20	DDGD	
C[C@H](C=NNC(=O)Cc1cc(O)nc(O)n1)c1ccc(F)cc1	756895074	GNLZLYWVNGNRNP-SECBINFHSA-N	318.308	1.475	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NN=Cc2cc[nH]n2)n[nH]1	755787952	GHQSHSUXVZWWII-UHFFFAOYSA-N	310.317	1.572	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NNc2cc(Cl)nc(N)n2)C1	857863217	SNTXOORSYDNQQW-SVRRBLITSA-N	321.772	1.245	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(F)cc2cccnc12	767328947	YBGNSPYXNAADEL-UHFFFAOYSA-N	304.350	1.669	50	20	DDGD	
N#CCOc1cccc(CC(=O)NNC(=O)C2CCCC2)c1	760333371	WGSSBCALNYAGAT-UHFFFAOYSA-N	301.346	1.469	50	20	DDGD	
CSc1ccc(C(C)=NNC(=O)[C@H]2CCC(=O)N2)cc1F	863149311	WZMSIZOXOJTQNY-LLVKDONJSA-N	309.366	1.666	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2ccc(-n3ccnc3)cc2)n[nH]1	767408999	BNEQFHPQKHFIMH-UHFFFAOYSA-N	308.345	1.597	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2cc(Cl)cc(Cl)c2)N1	863144575	AEDMQKWSOATKSH-SNVBAGLBSA-N	300.145	1.722	50	20	DDGD	
COC(=O)c1coc(/C=C\C(=O)NNC(=O)C2CCCC2)c1	864844807	CSXIPLNKPUPRSW-SREVYHEPSA-N	306.318	1.417	50	20	DDGD	
Cc1ccc(CO[C@H](C)C(=O)NNC(=O)c2ncccn2)cc1	862006128	RLNCMRVBWJDMBT-GFCCVEGCSA-N	314.345	1.151	50	20	DDGD	
COC(=O)CCC(C)(C)NS(=O)(=O)CC(C)(C)CCl	866933310	KCQWSSKYUVZLGJ-UHFFFAOYSA-N	313.847	1.903	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1ncc2n1CCCC2	866670513	OFVFOYCWNJSURN-UHFFFAOYSA-N	312.373	1.532	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2csc(C(C)C)n2)n[nH]1	869012109	GKFQIRUELLRSRB-UHFFFAOYSA-N	307.379	1.302	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@H]1CCn2ccnc2C1	863097890	RNMBDHNXZFFANS-ZETCQYMHSA-N	312.242	1.264	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ncc(Cl)s2)cc1	1116861726	YTVVNCOJKIFKNA-UHFFFAOYSA-N	306.734	1.743	50	20	DDGD	
Cn1ccnc(NNC(=O)C2(Sc3ccccc3)CC2)c1=O	1116367171	SMVBCIOABDXWQP-UHFFFAOYSA-N	316.386	1.548	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1ccc(OC(C)C)nc1	763888525	NUHPYBZKPVYJRI-UHFFFAOYSA-N	322.365	1.001	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNC(=O)c2ccc(Cl)nc2)n1	864902162	GVPCOLKMUUETMK-SECBINFHSA-N	321.768	1.337	50	20	DDGD	
CCOCCC1(C(=O)NNC(=O)NCCCOC)CCCC1	763299890	IMHDOQFFWFMLQH-UHFFFAOYSA-N	315.414	1.340	50	20	DDGD	
C[C@]1(CNC(=O)N[C@H]2C[C@H](C(=O)O)C2)C[C@H]1Br	874408024	MAQIIRAXVRVOTQ-KCGFPETGSA-N	305.172	1.322	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1sc2nc(C)nc(N)c2c1C	768412658	JALWSVBYQFJOIG-UHFFFAOYSA-N	322.394	1.196	50	20	DDGD	
CN1CCC(C=NNC(=O)CCCNC(=O)C(C)(C)C)CC1	872389705	QOMJFJCOVBNNDC-UHFFFAOYSA-N	310.442	1.373	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNC(=O)c2ccccc2)cn1C1CC1	773689387	CYGIYKCBBLAYEG-UHFFFAOYSA-N	311.341	1.566	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cnn(C[C@H]2CCCO2)c1	1119835241	LZIRNIYVDUYTOZ-CYBMUJFWSA-N	319.365	1.018	50	20	DDGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)c1ccncn1	778294254	RLJLWJQKSVVEEA-UHFFFAOYSA-N	322.777	1.683	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc(Cl)c(OC)c1	872399307	FOJBMBWBOSYEIP-UHFFFAOYSA-N	300.742	1.462	50	20	DDGD	
N#CSCCCNC(=O)Cn1nnc(-c2ccccc2)n1	773593238	GHCROWIUCGPYHZ-UHFFFAOYSA-N	302.363	1.061	50	20	DDGD	
C[C@H](CBr)CN1CCC[C@H](N2CCNC2=O)C1	770652470	KBCDEQRCLIFOIL-MNOVXSKESA-N	304.232	1.507	50	20	DDGD	
CN(NC(=O)c1ccc(CN2CCOCC2)o1)c1ccccc1	878004759	ADIJIWOTRMPGAE-UHFFFAOYSA-N	315.373	1.893	50	20	DDGD	
COCCOCC(=O)NN=Cc1cc(Cl)cc2c1OCC2	872401139	IDGZZDYHGHTNGN-UHFFFAOYSA-N	312.753	1.388	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccnn1CC1CC1	776036100	GIQGJQHQZBNDEE-UHFFFAOYSA-N	303.326	1.240	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NN=Cc1cnn(C)c1	773094930	TUODOVYBKHSIIX-JTQLQIEISA-N	306.753	1.991	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1	875074397	SNDRCOIKRODORU-TXEJJXNPSA-N	300.403	1.267	50	20	DDGD	
O=C(CCN1C(=O)CCC1=O)NNc1cc(Cl)ccc1F	871272704	YWRQUXGZIFIZDJ-UHFFFAOYSA-N	313.716	1.461	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccc(-n3ccnc3)nn2)c1C1CC1	1116852255	JWHDNUFSDQCDJN-UHFFFAOYSA-N	324.348	1.030	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)c2nccs2)cc1	773496385	HSDUTTZGAHEVDT-UHFFFAOYSA-N	319.342	1.070	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ncoc1-c1ccc(F)cc1	771450882	MXFFDLXDGVTHIQ-UHFFFAOYSA-N	306.297	1.787	50	20	DDGD	
C=CCOc1cccnc1C(=O)NNc1ccc(Cl)nn1	775606320	YAKUBHJZONNJCM-UHFFFAOYSA-N	305.725	1.847	50	20	DDGD	
O=C(CNC(=O)NNc1cc(Cl)ccn1)NC1CCCC1	778639094	XJYAAXVKCJZMQZ-UHFFFAOYSA-N	311.773	1.420	50	20	DDGD	
CC(C)C(=O)NNC(=O)NC[C@@H]1COC2(CCCCCC2)O1	776951932	JIPQFQGFZACHIB-GFCCVEGCSA-N	313.398	1.439	50	20	DDGD	
CC(C)(NS(C)(=O)=O)C(=O)NNc1ccc(Cl)cc1F	885107557	JIEGGEYVCHKFEF-UHFFFAOYSA-N	323.777	1.250	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccc(F)cc2)CC1)c1cccnn1	882057498	WRXSKNZLPYGJFP-UHFFFAOYSA-N	314.320	1.400	50	20	DDGD	
N#CSCCCNC(=O)CCCNC(=O)c1ccccc1	773593284	HWJJHWWHFCQPGM-UHFFFAOYSA-N	305.403	1.917	50	20	DDGD	
CCn1[nH]c(C)nc1=NC(=O)NNc1cc(Cl)ccc1F	888550667	XKSYYKFRSHFPHO-UHFFFAOYSA-N	312.736	1.969	50	20	DDGD	
CCN(Cc1ccc(C)cc1)C(=O)NNC(=O)c1cccnn1	883849794	KJEGZLYVXQCTRA-UHFFFAOYSA-N	313.361	1.662	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1csc(N2CCCCC2)n1	887150732	VLYCCUXFAKNHHT-UHFFFAOYSA-N	320.418	1.698	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1c(F)cc(F)cc1F	885150797	KZGXPXVODZLFMU-MRVPVSSYSA-N	306.284	1.989	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)NC(C1CCC1)C1CCC1	883643514	NIYCTHLEDUZFEC-UHFFFAOYSA-N	309.410	1.712	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)C(=O)Nc1ccon1	785154333	IQUMEEZEPKCQIU-UHFFFAOYSA-N	311.301	1.613	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](C(CC)CC)N1CCOCC1	887144710	WRHBQOMYJOLYTD-MRXNPFEDSA-N	323.437	1.074	50	20	DDGD	
CCS(=O)(=O)NCCCOC(=O)/C(C#N)=C/c1ccccc1	785364687	HWZUCYLHYUJPJN-SDNWHVSQSA-N	322.386	1.466	50	20	DDGD	
CC[C@H](O)[C@H](C)C(=O)NNC(=O)COc1cc(C)ccc1C	899940261	IUMTWUKHFMAUNQ-STQMWFEESA-N	308.378	1.237	50	20	DDGD	
COC[C@@H](NC(=O)NNc1cccc(C#N)c1)[C@@H]1CCCO1	789337104	YPMDYYZNLZVXFG-KGLIPLIRSA-N	304.350	1.378	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC/C=C\Cl)cc1C	899058445	XKUGUWSORSIBBX-UTCJRWHESA-N	311.769	1.765	50	20	DDGD	
COc1ccnc(NNC(=O)NCC(F)(F)c2ccccc2)n1	788849423	VHSPHAPGOPLIET-UHFFFAOYSA-N	323.303	1.903	50	20	DDGD	
CC(C)Cn1ccc(C(=O)NNC(=O)c2cccc(Cl)n2)n1	898784868	UPUAHQLMUGEVQP-UHFFFAOYSA-N	321.768	1.662	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1ncn(-c2ccccc2)n1	781819282	BJLCRQQYVRXWST-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
CN1CCC[C@@H]1c1cc(C(=O)NNc2ncccc2F)n[nH]1	897726065	HHGHAMRMUDYBIP-GFCCVEGCSA-N	304.329	1.467	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)C2=COCCO2)c1	788261650	AVCNPKDCUFIOAZ-UHFFFAOYSA-N	306.322	1.111	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1ccc(-c2nc[nH]n2)cc1	781831762	PTJYMBJLPRINSX-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NC[C@]2(C)C[C@@H]2Br)C(=O)O1	895922905	MIIQVZHMRJKDCY-GLLZPBPUSA-N	305.172	1.163	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccc(SC(F)(F)F)o1	896129669	VLRDVIMZESQVJD-UHFFFAOYSA-N	311.285	1.214	50	20	DDGD	
Cc1cccnc1NNC(=O)CNC(=O)c1ccc(C#N)cc1	791222472	KIGHKVLQBSSDNF-UHFFFAOYSA-N	309.329	1.135	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=S)NC(C)(C)C)C1	899996065	FHTZQAWFHQKTIS-VHSXEESVSA-N	315.439	1.260	50	20	DDGD	
COc1nccnc1NNC(=O)CCN(C)C1CCCCC1	791225838	QAZSRUBLFUKBEE-UHFFFAOYSA-N	307.398	1.583	50	20	DDGD	
C=C(CBr)CN1CCN(Cc2cnn(C)c2)CC1	791460317	MJCJWYSRFVAUSW-UHFFFAOYSA-N	313.243	1.489	50	20	DDGD	
O=C(CCCC1CCOCC1)NNC(=S)NCC1CCC1	799290052	XVOBJRVZCSVDAX-UHFFFAOYSA-N	313.467	1.879	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NC[C@H]1CCSC1	790532247	YXMIRYZOOXLVAV-CYBMUJFWSA-N	307.419	1.703	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1coc(C(C)C)n1	799473423	DVPOQMXGGQNDRY-GFCCVEGCSA-N	322.409	1.607	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cc(F)ccc1-n1cccn1	792944835	GKCURCOXWMIDIF-UHFFFAOYSA-N	304.325	1.819	50	20	DDGD	
Cc1nc2cc(C(=O)NNc3nc4ccccn4n3)ccc2o1	792483025	WTWNUAUZAFEQFR-UHFFFAOYSA-N	308.301	1.936	50	20	DDGD	
CSSCCNC(=O)N1CCN(c2cnccn2)CC1	790875368	JMBUTYOLGXEJHV-UHFFFAOYSA-N	313.452	1.319	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H](C)OC[C@H]2CCCO2)cc1	1318035405	WUKXWJCEBZGBBM-SMDDNHRTSA-N	322.361	1.040	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)c2ccccc2Cl)c(C)n1	1320108696	FWMKUYKOZJPQMQ-UHFFFAOYSA-N	304.737	1.822	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cn(C)c3ccccc23)ccn1	1248693463	PJPFCPFMBGGMDE-UHFFFAOYSA-N	324.340	1.657	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1[nH]ccc1-c1ccccc1	1328591631	MARUQAMWAKEQFI-WCQYABFASA-N	313.357	1.868	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)CSc1ccccc1O	1335873226	BBASYDKXROZIHE-CMPLNLGQSA-N	324.402	1.447	50	20	DDGD	
C[C@H](NNC(=O)c1ccn(CC(F)(F)F)n1)C(F)(F)F	1337349763	NEUPZSZQAYFSMK-YFKPBYRVSA-N	304.194	1.631	50	20	DDGD	
C[C@H](NC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br)C1CCC1	1331356658	IBTGXTXQHWAZQW-FWDPORAESA-N	317.227	1.581	50	20	DDGD	
C[C@H](C(=O)NNc1cc(Cl)nc(Cl)c1)[C@@H]1CCC(=O)N1	1335297370	UBZRQWUANRKRTA-XPUUQOCRSA-N	317.176	1.746	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	1349067882	HOAOPIUYAGWEJN-UISBYWKRSA-N	324.381	1.150	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC(C)(C)[C@@H]2CCC[C@@H]21	1340402205	VZBMFZTZZVVLDG-RVMXOQNASA-N	309.410	1.663	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1Cc2cccc(Cl)c2C1	1341397786	SPJLQZYBPWCUNJ-GXSJLCMTSA-N	323.780	1.821	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H]2CCCCN2C(=O)CC(C)C)cc[nH]1	1347341883	AQWVJXCSRMBUBH-HNNXBMFYSA-N	318.421	1.682	50	20	DDGD	
CCOc1cc(C(=O)NNc2ccc(CC(=O)OC)cc2)[nH]n1	1351044215	KSNHWLCUHBZRGC-UHFFFAOYSA-N	318.333	1.281	50	20	DDGD	
C[C@@H]1C[C@@H]2CC[C@H](C(=O)NNC(=O)c3ccccc3)CN2C1	1350795399	YILLNBPFLBFBLF-SNPRPXQTSA-N	301.390	1.568	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCc1cnccn1)c1ccccc1	1357249129	BYBRJDQANXWSAO-UHFFFAOYSA-N	313.361	1.285	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)[C@H]1CC[C@@H](C(=O)O)C1	1605681782	BNWOSIOKQWLZBA-NWDGAFQWSA-N	320.345	1.104	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2cccc(C(=O)O)c2)c2nccn21	1609845187	QNOKKHZHKGGWHI-JOYOIKCWSA-N	315.333	1.913	50	20	DDGD	
Cc1c(NNC(=O)c2ccc(C(=O)O)[nH]2)cccc1[N+](=O)[O-]	1600054420	YOLBEWQCYBOVPX-UHFFFAOYSA-N	304.262	1.686	50	20	DDGD	
COCC1(C(=O)NNc2ccc(C(=O)O)cc2OC)CCC1	1606821905	MHDYIMUKLKZULS-UHFFFAOYSA-N	308.334	1.653	50	20	DDGD	
O=C(O)c1ccc(CC(=O)N2C[C@H]3[C@H](Br)[C@H]3C2)cc1	1608879952	GLZKUIANBFWLAO-PJXYFTJBSA-N	324.174	1.779	50	20	DDGD	
Cc1c(NNC(=O)c2ccc(C(=O)O)nc2)cccc1[N+](=O)[O-]	1600054428	YXOJATXHANFDNM-UHFFFAOYSA-N	316.273	1.753	50	20	DDGD	
O=C(NNc1ncccc1C(F)(F)F)c1c[nH]c(C(=O)O)c1	1601561961	KTHCOSLTABAMGK-UHFFFAOYSA-N	314.223	1.884	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@H]1C=NNC(=O)c1cn[nH]c1	1552762686	LHSSVWLKZQBCQR-JQWIXIFHSA-N	302.338	1.120	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@@H]2C=NNC(=O)[C@@H]2CCCO2)cn1	1552455526	YYORSGSMWLSMOC-KWCYVHTRSA-N	306.366	1.262	50	20	DDGD	
CCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](F)Cl)sc2C1	1817117030	HHXDZCKFCDHVPC-LDWIPMOCSA-N	319.789	2.000	50	20	DDGD	
CC[C@H](CNC(=O)NNc1nc2cccnc2s1)C(=O)O	1573797767	CYBLKKOLSCBNOF-SSDOTTSWSA-N	309.351	1.428	50	20	DDGD	
Cc1ccc(NNC(=O)C2=NO[C@]3(CCNC3)C2)c(Cl)c1	1579724375	WSVJLFHKQXMXBK-CQSZACIVSA-N	308.769	1.600	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2CC=CCC2)o1	1589773677	IRVQLVRNUJQMMQ-SECBINFHSA-N	317.353	1.778	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1ccc(-c2nn[nH]n2)s1	1588775852	LQULTCICQJIFCP-BDAKNGLRSA-N	320.378	1.193	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)CCCOC)C2	1845162660	HRNKIYJHEVUZNW-LBPRGKRZSA-N	316.829	1.634	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)/C(C)=C/OC)C2	1845165337	HDQDUDMSMBKPGS-OBIHZWKSSA-N	314.813	1.757	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)COC1CCOCC1	1599377275	QSNSJQWCXWCNOX-UHFFFAOYSA-N	324.333	1.032	50	20	DDGD	
COCCCOCC(=O)NNc1ccc(C(=O)O)c(F)c1	1599226321	NWEBITSPWXMNKO-UHFFFAOYSA-N	300.286	1.020	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cnc[nH]1)C2	1845163955	DDQSGGPYPVODAS-SNVBAGLBSA-N	310.785	1.244	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)CCc1ccn(C)n1	1599376864	DWELZQKDNHULOB-UHFFFAOYSA-N	318.333	1.203	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)O	1590701929	UVWUOROIVMSRON-DCAQKATOSA-N	323.842	1.766	50	20	DDGD	
O=C(NN=Cc1cc(Cl)ncc1C(=O)O)c1ccccn1	1776028341	IARAXFHXDKMLGK-UHFFFAOYSA-N	304.693	1.592	50	20	DDGD	
O=C(O)COc1ccc(C=NNC(=O)C(F)F)cc1Cl	1776054206	NMWAAKQBBRYNJF-UHFFFAOYSA-N	306.652	1.519	50	20	DDGD	
CCOc1ccc(C(=O)NCC(=O)NNc2ccncc2)cc1	162352321	YGVYSKPHSRDKGI-UHFFFAOYSA-N	314.345	1.353	50	20	DDGD	
Cc1nn(C)c(C)c1OCC(=O)NNc1ccncc1Cl	163115207	RTJJLOONTSDVOW-UHFFFAOYSA-N	309.757	1.607	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)nc1	163658027	LJYQAMLDJHIBBF-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C[C@H](C)c1c(C)noc1C	153495287	SIQBZWOMUWOXMW-ZETCQYMHSA-N	305.338	1.278	50	20	DDGD	
COc1ccnc(NNC(=O)c2coc(-c3ccccc3)n2)n1	155899715	QNLYXFXXNHSXDW-UHFFFAOYSA-N	311.301	1.897	50	20	DDGD	
COc1ccc(NNC(=O)CCCc2nc(C3CC3)no2)nc1	159615283	YDTZSWAIWNULOD-UHFFFAOYSA-N	317.349	1.817	50	20	DDGD	
CN(C)C[C@H]1CCN(S(=O)(=O)c2ccc(CCl)cc2)C1	688460469	WLBPNHLBOMYTJE-CYBMUJFWSA-N	316.854	1.998	50	20	DDGD	
C[C@@H]1CO[C@H](CO)CN1S(=O)(=O)c1ccc(CCl)cc1	380024315	UVXAASDGVQIYAZ-PWSUYJOCSA-N	319.810	1.196	50	20	DDGD	
CCCCOCC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	118304268	ZWNUZDUXZOJTHW-NSHDSACASA-N	312.341	1.557	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)c1c[nH]nc1C)c1ccccc1	110758550	PNALLSYREOHGQW-CYBMUJFWSA-N	302.334	1.257	50	20	DDGD	
Cc1cncc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)c1	173073019	WEJQVNPQQOVJSG-LLVKDONJSA-N	317.320	1.758	50	20	DDGD	
CCC(CC)N1C[C@H](C(=O)NNC(=O)CC(C)(C)C)CC1=O	109627438	JEKZNIFDSDSZDD-LLVKDONJSA-N	311.426	1.607	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cc(Cl)cc2cccnc12	58248916	NMYNHJRPLFVNFA-LBPRGKRZSA-N	319.748	1.828	50	20	DDGD	
C[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)c1cccc(N(C)C)c1	104814408	KQSGWFAIGJXXPX-RISCZKNCSA-N	304.394	1.885	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc2c(c1)CCC(=O)N2	24537549	AVHDCOGRVVOFGM-UHFFFAOYSA-N	306.391	1.089	50	20	DDGD	
CC(C)CN1CCC[C@H](CNC(=O)NNc2cccnn2)C1	178731143	BOPCMWJIOHRUSV-CYBMUJFWSA-N	306.414	1.471	50	20	DDGD	
CC[C@@H](Sc1ccccc1)C(=O)NNC(=O)c1cnn(C)c1	117680272	VQYPSUSZYQUNKA-CYBMUJFWSA-N	318.402	1.752	50	20	DDGD	
CNc1cc(C(=O)NNC(=O)c2cccn2C)cc(Cl)n1	111542151	OUQBYQJMZOFTGY-UHFFFAOYSA-N	307.741	1.190	50	20	DDGD	
O=C(CSCc1ccccn1)NNC(=O)NC1CCCC1	65919282	WQQVMFRFCKZFLU-UHFFFAOYSA-N	308.407	1.588	50	20	DDGD	
CS(=O)(=O)CCCC(=O)NNC(=O)c1cc2ccccc2o1	177750793	SRCOVMFUFJOTTO-UHFFFAOYSA-N	324.358	1.019	50	20	DDGD	
NC(=O)[C@H](NNC(=O)c1ccc(Cl)cc1F)c1ccccc1	177494791	VCCBQAUPXJOROI-CYBMUJFWSA-N	321.739	1.940	50	20	DDGD	
Cn1cnc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)c1	179326580	XSENMCABELFCOL-UHFFFAOYSA-N	316.405	1.788	50	20	DDGD	
COCc1nc(C(=O)NNC(=O)Cc2ccccc2F)cs1	66774994	RDAIJOLZZGGMDO-UHFFFAOYSA-N	323.349	1.432	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(C)c(NC(C)=O)c1	64425310	AKCUEDYUXLNKSW-UHFFFAOYSA-N	306.366	1.698	50	20	DDGD	
O=C(NNc1nccnc1Cl)[C@@H]1CC(=O)N(C2CCCC2)C1	114894667	DJGTZRPWCVHERE-SECBINFHSA-N	323.784	1.364	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)CCc2ccccc2O)cn1	114539098	GGRSTOXOFRVTGH-UHFFFAOYSA-N	302.334	1.002	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)[C@@H]1CC1(Cl)Cl	122998852	CJDCFGQKSXBUSY-QMMMGPOBSA-N	322.217	1.815	50	20	DDGD	
Cc1cccc([C@H]2CCCN2CC(=O)NNC(=O)C2CC2)c1C	122258554	DGHJWUQZLXTMRC-MRXNPFEDSA-N	315.417	1.998	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2cnc(C)nc2C)c1	183437993	WEJASVNJMWMPFI-UHFFFAOYSA-N	314.345	1.242	50	20	DDGD	
N#CC(C#N)=CNc1cccc(S(=O)(=O)/N=C2/CCCN2)c1	78608154	OAMZWZJNNGNORW-UHFFFAOYSA-N	315.358	1.500	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccccc1C(C)(C)C	123268541	DRYKQPNKMVIYPE-UHFFFAOYSA-N	307.394	1.965	50	20	DDGD	
Cc1[nH]ncc1C(=O)NNc1nnc(-c2ccccn2)s1	188236686	ZCHIDBOQYLNHRJ-UHFFFAOYSA-N	301.335	1.389	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@@H](CCCO)c1ccccc1	77881905	JHQREVTXJUGUPD-ZDUSSCGKSA-N	307.394	1.877	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNC(=O)Cc1cc[nH]n1	186100929	ZWLZPFMFOCXVFY-MNOVXSKESA-N	304.375	1.273	50	20	DDGD	
CCN(CC)[C@@H](CNC(=O)NNc1cccnn1)c1ccco1	77574582	IOLYCNTZWJJLLV-LBPRGKRZSA-N	318.381	1.779	50	20	DDGD	
O=C(/C=C\c1ccco1)NNC(=O)c1cccc([N+](=O)[O-])c1	35003833	LQHVIAZJDIWRAH-SREVYHEPSA-N	301.258	1.662	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)OC(C)(C)C)nc(C(F)(F)F)n1	187325001	LKMOJKDUDKXYOX-UHFFFAOYSA-N	320.271	1.973	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1ccc(F)cn1	183760897	HZHDWDGTJFACCU-UHFFFAOYSA-N	301.203	1.786	50	20	DDGD	
CCCn1cc(C(=O)NNc2nc3ccccc3c(=O)[nH]2)cn1	180344340	YYOQKWGCVMCNDC-UHFFFAOYSA-N	312.333	1.287	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2csnc2C)cc1	183097355	YUMLFMMIIPIPGZ-UHFFFAOYSA-N	320.374	1.333	50	20	DDGD	
COC[C@@H](C)NC(=O)NNC(=O)c1ccc2ccccc2n1	79116207	SBTCSDMRHLTDLI-SNVBAGLBSA-N	302.334	1.214	50	20	DDGD	
Cc1nc2cc(C(=O)NNC(=O)CO)ccc2n1-c1ccccc1	180952245	IEHQYVCUICBQMO-UHFFFAOYSA-N	324.340	1.087	50	20	DDGD	
CC(C)n1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)cn1	188565269	BBVLRKXDOOFMOQ-UHFFFAOYSA-N	304.325	1.607	50	20	DDGD	
Cc1ccc(C)n1-c1nc(CC(=O)NN(C)C(N)=O)cs1	182663900	PSQGHJMDANAKKL-UHFFFAOYSA-N	307.379	1.135	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccc(F)cn2)c(C)c1	182646171	ZRQLSTFYRHDTQM-UHFFFAOYSA-N	316.336	1.711	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cccc(CC#N)c2)n1	44974335	JTNHOMNLUZCDKT-UHFFFAOYSA-N	311.345	1.027	50	20	DDGD	
Cc1cc(F)ccc1S(=O)(=O)NNC(=O)c1ccccc1	41091142	MEDZOSMDGRHBKN-UHFFFAOYSA-N	308.334	1.757	50	20	DDGD	
Cc1nn(C)c2ncc(C(=O)NNc3nc4ccccn4n3)cc12	191883453	KHVXOVKUPFFRIH-UHFFFAOYSA-N	322.332	1.076	50	20	DDGD	
O=C(NNC(=O)C1(c2ccccc2)CCOCC1)[C@@H]1CCCO1	42968970	YHTYJTDWKSUWQB-AWEZNQCLSA-N	318.373	1.061	50	20	DDGD	
Cc1cccc2c(CC(=O)NNC(=O)Cc3ccncc3)c[nH]c12	81028593	ZWWSSVNPXVRSLQ-UHFFFAOYSA-N	322.368	1.804	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@@H]2CCCc3sccc32)cn1	136639369	UYCLXDXJPOFWFH-LLVKDONJSA-N	319.390	1.503	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)[C@H](O)c1ccccc1	81338804	WZOPWEDUNPRENQ-QGZVFWFLSA-N	312.369	1.890	50	20	DDGD	
CCN(CC)CCNC(=O)NNC(=O)c1cccc(Cl)c1	192886671	PTMJTFJHHJACPX-UHFFFAOYSA-N	312.801	1.626	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C\c1ccc2c(c1)OCCO2	192565883	MYGKMEHAMLMPOT-HKMIMPICSA-N	302.330	1.516	50	20	DDGD	
C=CCNC(=S)NNC(=O)COc1c(C)cc(C)cc1C	41962359	YHKNYHPZAFKYLD-UHFFFAOYSA-N	307.419	1.672	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H](C)CCC(C)C)n1	42999800	ARFDDGAMWQEPJK-NSHDSACASA-N	309.414	1.655	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1ccc(-c2csc(C)n2)s1	131710605	DTVVPRQMMYYECL-UHFFFAOYSA-N	317.417	1.509	50	20	DDGD	
COc1ccnc(NNC(=O)CCc2cccc([N+](=O)[O-])c2)n1	87086875	DEFQUCFVXKOERE-UHFFFAOYSA-N	317.305	1.469	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)c1ccc[nH]1)c1ccncc1	92375800	SXPUUZAOMZJTSO-UHFFFAOYSA-N	301.350	1.332	50	20	DDGD	
O=C(C[C@@H](O)c1ccc(Cl)cc1)NNC(=O)c1ccc[nH]1	90822707	SNISUQCUPGYKLE-GFCCVEGCSA-N	307.737	1.553	50	20	DDGD	
CNC(=O)[C@@H]1CCCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C1	267428727	YHFUDAGNDYXVHP-BKNIFWKGSA-N	314.345	1.917	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCn1ccnc1)c1ccccc1	264745410	ZURZSUWGPQTLIN-CQSZACIVSA-N	300.362	1.614	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCSC1	266833898	UVSLWMUPHYECJU-VIFPVBQESA-N	310.335	1.044	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCCn1ccnc1)c1ccccc1	264518848	QNEUHLHCBUVIRB-UHFFFAOYSA-N	315.377	1.191	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)nn1	369793736	YXBYGCKYSFKVDJ-CYZMBNFOSA-N	305.382	1.615	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)NOCC(C)C)c1	269722750	SIJPPUXLORWMKT-UHFFFAOYSA-N	309.366	1.600	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2ncnc3ccsc23)CCO1	271247781	ISJSOZMUAYECID-BDAKNGLRSA-N	307.379	1.885	50	20	DDGD	
COC[C@H](NC(=O)NNc1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1	279766750	SEYKMZJNPCVJGJ-STQMWFEESA-N	324.337	1.415	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1C(=O)NNC(=O)c1c[nH]c2ccccc12	278901670	YOWQQHWTFXJSOK-IUODEOHRSA-N	313.357	1.910	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NNc2ccc([N+](=O)[O-])cc2)C1	278529538	YYFUTBNWGRBEKO-SNVBAGLBSA-N	306.322	1.296	50	20	DDGD	
C[C@H]1CCC[C@@H]1CC(=O)NNc1nc(O)c2cnn(C)c2n1	274411224	IYIFJWDUDIIHAO-DTWKUNHWSA-N	304.354	1.338	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C[C@](C)(O)c2ccccc2)n1	272658441	MHXUKNYOGWBTTD-INIZCTEOSA-N	300.362	1.834	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(O[C@H]2CCOC2)cc1	279049998	RKGCVEVOAGHYPZ-ZDUSSCGKSA-N	306.362	1.661	50	20	DDGD	
CC(C)(C)c1nsc(NC(=O)NNC(=O)c2ccc[nH]2)n1	273396509	MABNKQIOQPGKPX-UHFFFAOYSA-N	308.367	1.630	50	20	DDGD	
C[C@@](O)(Cc1ccccc1)C(=O)NNc1nnc(C2CC2)s1	273636729	SMSSXKVLQYUVRI-OAHLLOKOSA-N	318.402	1.852	50	20	DDGD	
CN1C(=O)CCc2cc(C(=O)NNC(=O)OC(C)(C)C)ccc21	270197553	FABDYEMDAOKOGH-UHFFFAOYSA-N	319.361	1.765	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCN(C)C2CC2)c1	272650687	KFDJDVBJSIXOIO-UHFFFAOYSA-N	306.366	1.194	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1c(C)cccc1CC	276078036	DHOSMFAMCHWXGT-UHFFFAOYSA-N	306.366	1.188	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1nc(C2CC2)cs1	288085007	NTVCYANDTBHHBA-SSDOTTSWSA-N	310.379	1.153	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)CS(=O)(=O)CCOC	281785821	NNOJHXSHBSXYGL-UHFFFAOYSA-N	314.407	1.062	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2nc(C(C)C)oc2C)n1	285488095	ADZFGISGQIFVPS-UHFFFAOYSA-N	305.338	1.970	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNc1nnc(-c2ccccn2)s1	377094951	PXCILVCMWXSZDH-ONGXEEELSA-N	321.406	2.104	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)[C@@H]1CCCCS1	286554149	HULSEJWSAVQUTC-JTQLQIEISA-N	304.379	1.391	50	20	DDGD	
CCn1c(NNC(=O)[C@@](C)(C#N)CC)nc2ccccc2c1=O	285522694	QVJZYZAZLFDLAG-MRXNPFEDSA-N	313.361	1.799	50	20	DDGD	
COC(=O)[C@H]1CC[C@H](C(=O)NNC(=O)c2ccccc2)CC1	281495334	FDVWVQCXFOMQBS-JOCQHMNTSA-N	304.346	1.427	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cn(C(C)C)cn1	281281437	OLTSFISQOZFVOZ-UHFFFAOYSA-N	302.334	1.547	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CCC(C)(C)C)cc1	282667053	IOTDGULATRSLTC-UHFFFAOYSA-N	305.378	1.907	50	20	DDGD	
C[Si](C)(C)c1ccc(CC(=O)NNc2ncccn2)cc1	280851022	WAMSBMVQWPHYAI-UHFFFAOYSA-N	300.438	1.708	50	20	DDGD	
CC(C)(C(=O)NNC(=O)C[C@H]1CCCC(=O)N1)c1ccccc1	289829313	TVNAXBKDHPIFFM-CYBMUJFWSA-N	317.389	1.170	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)Nc1cc2n(n1)CCCC2	287281455	ICEYZGHPODMHRB-UHFFFAOYSA-N	307.745	1.811	50	20	DDGD	
CN(CCCN(C)C(=O)NNC(=O)C(C)(C)C)Cc1ccco1	287259407	HSJGYNFHKXLSHF-UHFFFAOYSA-N	324.425	1.820	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	282956330	UJTUNTSLQGQEJB-LBPRGKRZSA-N	321.377	1.286	50	20	DDGD	
CC(C)CCCNC(=O)NNc1ccc(-n2ccnc2)nn1	286634961	QCAWFCAVCBMCKR-UHFFFAOYSA-N	303.370	1.725	50	20	DDGD	
CCOC(=O)c1cc(C(=O)NNc2nccc(OC)n2)[nH]c1C	294390550	OAVHNBXPOIMQCB-UHFFFAOYSA-N	319.321	1.055	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1	298995538	JECMHXNXPVKWRN-UHFFFAOYSA-N	304.306	1.883	50	20	DDGD	
O=C(NCc1cnn2ccccc12)NNc1ncncc1Cl	805783756	ZSWIZIUQGVWZSQ-UHFFFAOYSA-N	317.740	1.604	50	20	DDGD	
C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)NNc1ncncc1F	292840373	YJSPVXWQKYUECW-VHSXEESVSA-N	324.360	1.031	50	20	DDGD	
Cc1cnc(COCC(=O)NNc2cccc(F)c2[N+](=O)[O-])o1	803231919	BWGNTIABPNECEB-UHFFFAOYSA-N	324.268	1.690	50	20	DDGD	
Cc1ccc(C[C@H](C)C(=O)NNC(=O)[C@H]2CCCCO2)cc1	295369550	JXFOMBLCKNJCPH-DZGCQCFKSA-N	304.390	1.890	50	20	DDGD	
COCCN(C)NC(=O)c1ccccc1COC1CCOCC1	293550366	GXLAIVFYNWUVKS-UHFFFAOYSA-N	322.405	1.605	50	20	DDGD	
CN(C)c1cnc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)cn1	803429383	VPLRDBNDYZFGNG-UHFFFAOYSA-N	324.344	1.141	50	20	DDGD	
CN(C)c1ccc(C2(C(=O)NNC(=O)C3CCC3)CC2)cc1	293726734	MTIUXALSQSSLHA-UHFFFAOYSA-N	301.390	1.732	50	20	DDGD	
CSSCCNS(=O)(=O)c1ccc(C#N)c(F)c1	292239708	IYPHCPFDEVIUDE-UHFFFAOYSA-N	306.409	1.987	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNC(=O)[C@H]2CCCCO2)ccn1	295394746	LTIZRISEONUZTM-GFCCVEGCSA-N	307.350	1.199	50	20	DDGD	
CC(C)O[C@H](C(=O)NNC(=O)[C@@H]1CCCO1)c1ccccc1	292253133	XXCWOZJEXVJIRD-KBPBESRZSA-N	306.362	1.479	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)co1	801634264	JUALIFHPVGBNBJ-UHFFFAOYSA-N	317.330	1.509	50	20	DDGD	
CC(C)COc1ccc(S(=O)(=O)NNC(=O)N(C)C)cc1	299417231	GPWNAQWDNYGUBT-UHFFFAOYSA-N	315.395	1.186	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=Cc1c[nH]c(C(=O)O)c1	814717908	CUSGIMHCPYHYFA-UHFFFAOYSA-N	311.301	1.433	50	20	DDGD	
COc1nc(C)c(Br)cc1C(=O)NN(C)C1CC1	819649538	FUSXALAPHYIWBI-UHFFFAOYSA-N	314.183	1.900	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)NCCc1cccs1)n1cccn1	819164528	SMXVQJYXABWIFT-LLVKDONJSA-N	321.406	1.469	50	20	DDGD	
O=C1CC(C(=O)NNc2ncc(F)cn2)(c2ccccc2)C1	810777076	UZVQFMDENNOHAJ-UHFFFAOYSA-N	300.293	1.360	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)O)CCC1=NNC(=O)COc1ccccc1O	814952647	JSZNWFKYWRCDEK-GHMZBOCLSA-N	320.345	1.764	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@@]2(C)CC2(F)F)c1	817709599	WVQPOOIATYWDRB-CYBMUJFWSA-N	313.304	1.300	50	20	DDGD	
COc1ccccc1CN(OC)S(=O)(=O)CBr	810108733	LMVNRNMWUGBASY-UHFFFAOYSA-N	324.196	1.741	50	20	DDGD	
Cc1sccc1C=NNC(=O)CNC(=O)c1cccnc1	814873578	IKPYFVBNMRZXAV-UHFFFAOYSA-N	302.359	1.332	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNc1ccc(C(F)(F)F)nn1	812540458	WPBQAWQPXSVCOU-YUMQZZPRSA-N	306.288	1.857	50	20	DDGD	
CO[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2ccc(Cl)nc2)C1	814405577	ADXKVYQHJYSMDP-MWLCHTKSSA-N	311.769	1.701	50	20	DDGD	
COc1cc(C#N)ccc1OCC(=O)NNc1ncncc1F	817081805	DWLKOCNRIIZEAV-UHFFFAOYSA-N	317.280	1.018	50	20	DDGD	
COc1ccc(C=NNC(=O)N=c2cc[nH]cc2)cc1[N+](=O)[O-]	815000379	KHNCNFFJKDFGGX-UHFFFAOYSA-N	315.289	1.576	50	20	DDGD	
N#Cc1ccc(NC(=O)NNc2nc3ccccn3n2)cc1F	810252313	NNFGCFFKBKQQQE-UHFFFAOYSA-N	311.280	1.889	50	20	DDGD	
CCC[C@H](C)C(=O)NCCNC(=O)NCCSSC	814330435	QNWJTZMKHYQZPV-JTQLQIEISA-N	307.485	1.849	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1coc(-c2cccnc2)n1	823804551	PZGVCFBSOPWOTN-UHFFFAOYSA-N	301.306	1.091	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NNC(=O)OC(C)(C)C)C1(C)C	494711177	NKCZAXJPLIQUMU-IVZWLZJFSA-N	301.387	1.785	50	20	DDGD	
Cc1ccc(C2CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)C2)cc1	729819157	FQCWZCJCSCWIGF-JTDNENJMSA-N	323.418	1.282	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CCn2cc(Cl)cn2)c1	728825795	QOAJAQGHCPYSGV-UHFFFAOYSA-N	317.736	1.259	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)[C@@H](C)NC(=O)OC(C)(C)C	496453765	GZEGMMYHLDKAEF-SNVBAGLBSA-N	314.386	1.317	50	20	DDGD	
Cc1cc(C(=O)NN(C)C(N)=O)ccc1NC(=O)OC(C)(C)C	494433670	HDJAXKRSCUFVLF-UHFFFAOYSA-N	322.365	1.997	50	20	DDGD	
Cc1ccc2nc(CSCC(=O)NN(C)[C@H](C)CO)cn2c1	823976453	DGPGAFIGVDQWJH-GFCCVEGCSA-N	322.434	1.220	50	20	DDGD	
CC(=NNC(N)=O)c1ccc(CNC(=O)OC(C)(C)C)nc1C	494160176	RQGLNZRHGLKDSR-UHFFFAOYSA-N	321.381	1.807	50	20	DDGD	
Cc1cc(C)n(CCCC(=O)NNC(=O)CC(F)(F)F)n1	823368460	JYNWNIAJUUXUFX-UHFFFAOYSA-N	306.288	1.380	50	20	DDGD	
Cc1ncsc1/C=C/C(=O)NNc1nc2ccccn2n1	492944168	CEDQICANMGEGBO-AATRIKPKSA-N	300.347	1.651	50	20	DDGD	
CO[C@H](C)CNC(=O)NNC(=O)COc1cc(C)ccc1C	821722093	GOJMTFCPTXHRME-GFCCVEGCSA-N	309.366	1.048	50	20	DDGD	
CO[C@H](CNCc1ccc(B(O)O)cc1)c1cccc(Cl)c1	585026454	HETBQFBPJXBPBC-MRXNPFEDSA-N	319.597	1.497	50	20	DDGD	
CCn1cc(C=NNC(=O)[C@H](C)Oc2cccc(Cl)c2)nn1	901232364	ZBBKGRCSLCRLIG-JTQLQIEISA-N	321.768	1.869	50	20	DDGD	
C[C@](O)(CNCc1ccccc1B(O)O)c1cccc(Cl)c1	585036052	CSFRHZLAJNZRDQ-INIZCTEOSA-N	319.597	1.017	50	20	DDGD	
OB(O)[C@@H]1CCN(c2cncc(SCc3ccccc3)n2)C1	585073037	HPCWTTYDFLKOPD-CYBMUJFWSA-N	315.207	1.822	50	20	DDGD	
COC(=O)C[C@H](NS(=O)(=O)CCl)c1ccc(OC)cc1	829816776	GYZZQKBPTXEYOE-NSHDSACASA-N	321.782	1.415	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)Cn1nc(C(F)F)cc1C(F)F	823384638	QHEAZXVOBWAWFG-LURJTMIESA-N	312.267	1.102	50	20	DDGD	
Cc1nn(CC(F)F)cc1C(=O)NNc1ncncc1F	820386096	LHYMDWBVLZQICS-UHFFFAOYSA-N	300.244	1.143	50	20	DDGD	
Cn1nc(C(=O)NNc2nccc3sccc23)ccc1=O	734249093	JRLTXXOFTNJXON-UHFFFAOYSA-N	301.331	1.147	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CC(Oc3ccncc3)C2)cn1	823050735	JFNGXYMTWZCJEE-AWNIVKPZSA-N	309.329	1.012	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@@H]1C[C@H]1C1CCCCC1	826866615	BKKKUPDHHABTNQ-UNQGMJICSA-N	323.437	1.958	50	20	DDGD	
COC(=O)CC(=O)NNC(=O)c1cc2c(s1)CCCCC2	905251277	BYEHTVYCINKKET-UHFFFAOYSA-N	310.375	1.341	50	20	DDGD	
CN(C(=O)c1cccc(B(O)O)c1)[C@H]1CCC[C@@H]1C(C)(C)C	585001394	XGLGVKFQRLVLPN-GJZGRUSLSA-N	303.211	1.653	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1ccc(F)c(O)c1	901153235	GCXRDJKGAGYABD-NSHDSACASA-N	323.368	1.340	50	20	DDGD	
COc1ccc(C=NNC(=O)c2cnn(C)c2)c(OC)c1OC	735411280	VDFVDDIPSOTMJT-UHFFFAOYSA-N	318.333	1.210	50	20	DDGD	
Cc1cccc(C2(C(=O)NNC(=O)c3cnn(C)c3)CCC2)c1	735444761	UWMHNXAVSDSOQH-UHFFFAOYSA-N	312.373	1.611	50	20	DDGD	
O=C(NNc1ccc(Br)nc1)c1ccc[n+]([O-])c1	732834784	QSGQEYAFOYMSEA-UHFFFAOYSA-N	309.123	1.234	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1	585018141	QUUHDUWMUMZPNW-PWSUYJOCSA-N	319.107	1.716	50	20	DDGD	
COC(=O)NNC(=O)c1cc(OCc2ccccc2)ccc1O	495447125	COAZVCILNCNHFE-UHFFFAOYSA-N	316.313	1.972	50	20	DDGD	
CC(C)(C)OC(=O)NCC(C)(C)C(=O)NNC(=O)C1CCC1	493244637	NQXCFGRAYVPCEN-UHFFFAOYSA-N	313.398	1.485	50	20	DDGD	
Cc1ccc(CNCc2cccc(B(O)O)c2)c(OC(C)C)c1	585029437	YQAQBMZIRMSURB-UHFFFAOYSA-N	313.206	1.752	50	20	DDGD	
CC(CCc1ccccc1)=NNC(=O)[C@H]1CCS(=O)(=O)C1	730578358	QUWBMKDMTPBIOF-AWEZNQCLSA-N	308.403	1.546	50	20	DDGD	
CC(C)CNC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1cnn(C)c1	837970222	ZWCOZTWWZKTIDE-CGGVXGFASA-N	304.350	1.031	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCOc3ccc(F)cc32)cc1	585037224	USOCMGHCRHWIJA-OAHLLOKOSA-N	301.126	1.119	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1CNC(=O)NNC(=O)[C@H](C)OCCOC	838647934	ANXSGDLARAOJAI-YNEHKIRRSA-N	315.414	1.195	50	20	DDGD	
COC(=O)c1cc(OC(=O)c2ncoc2C)ccc1[N+](=O)[O-]	732652512	FAIULUITHXZKSW-UHFFFAOYSA-N	306.230	1.897	50	20	DDGD	
N#Cc1cnc2c(F)ccc(Cl)c2c1N1CC[C@@H](B(O)O)C1	585073907	QGSLSCQRVFQMKH-SECBINFHSA-N	319.532	1.952	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C1=CC[C@@H](C)CC1	838344389	CUANRNOJRBSQTR-VXGBXAGGSA-N	310.394	1.858	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)c3ncon3)cc2C1	832825597	AVHVMKFXJHXPKB-ZETCQYMHSA-N	306.347	1.331	50	20	DDGD	
CC[C@@H](O)[C@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1F	900934955	CUFGMRVGIUDVOA-WRWORJQWSA-N	302.733	1.647	50	20	DDGD	
N#C/C(=C/c1ccccc1OCC(=O)NCC1CC1)C(=O)O	738418715	JYPIYYSHKTVPLE-QPEQYQDCSA-N	300.314	1.583	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CSCC(C)=O)cc1F	837058863	OGRUKQSARSAWGN-UHFFFAOYSA-N	314.338	1.378	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@@H]2CCCC[C@@H]21	585010241	LGZFKKRDKREZRK-NHYWBVRUSA-N	305.158	1.300	50	20	DDGD	
Cc1cc2c(cc1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)OCO2	831620606	FDQFFAQBEGKRHA-VHSXEESVSA-N	321.333	1.301	50	20	DDGD	
CC1(C)C[C@]1(C(=O)NNC(=O)c1ncon1)c1ccccc1	832830049	GJVFQJHMSAROBV-OAHLLOKOSA-N	300.318	1.199	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1cc(C(=O)O)cc(C(=O)OC)c1	737128777	ABKKQCBWIRTEMR-FLIBITNWSA-N	318.285	1.554	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@@H]1C[C@@H]1C(=O)O	737268025	XDNAGNAVFSXBSE-MNOVXSKESA-N	321.402	1.596	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)COc2cc(C)cc(C)c2)n1	834923128	YNYYEUZAMVZFCO-UHFFFAOYSA-N	315.377	1.752	50	20	DDGD	
CN(C)C(=O)NN=Cc1ccc(I)s1	834950222	YTFADPIKODGLRO-UHFFFAOYSA-N	323.159	1.958	50	20	DDGD	
CC1=C(C)C(=O)N(CCC(=O)NNc2cc(F)ccc2C)C1=O	912309362	XPPYMFMJNOBVCO-UHFFFAOYSA-N	319.336	1.673	50	20	DDGD	
CC(=NNC(=O)CNc1ccc(C)cc1C)c1cnn(C)n1	834931759	UBBDKIZKFZFWTM-UHFFFAOYSA-N	300.366	1.384	50	20	DDGD	
Cc1ccc2cc(C(=O)NNc3nnc(C)c(O)n3)ccc2n1	746297121	REMAQDTZFQFQKQ-UHFFFAOYSA-N	310.317	1.499	50	20	DDGD	
CC(C)(C)C(=O)NCCNC(=O)NNc1cccc(C#N)c1	749419924	GQSUZFYMLCNFMY-UHFFFAOYSA-N	303.366	1.347	50	20	DDGD	
CO[C@@H](C1CC1)[C@H](C)NC(=O)NNC(=O)c1cccc(C#N)c1	836277040	UCDLFXKWNDMRCM-IINYFYTJSA-N	316.361	1.316	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C\c1cccc(OCCC(=O)O)c1	746684192	XAULAOSDXBBTSR-SDQBBNPISA-N	308.297	1.707	50	20	DDGD	
CCCN1CCC[C@H](C(=O)NNCC(F)(F)C(F)(F)F)C1	913163781	WJHCBTPMMCERHY-VIFPVBQESA-N	317.302	1.927	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCn2ccnc2)c2ccccc2n1	917365452	UJEJFOLCHYXMFT-UHFFFAOYSA-N	323.356	1.591	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	843663170	VUBWTEMISDEYHM-BXUZGUMPSA-N	320.389	1.545	50	20	DDGD	
Cn1ncc2c1CCCC2=NNC(=O)CNc1ccccc1F	915937856	VEIGGLMPKMCBDC-UHFFFAOYSA-N	315.352	1.828	50	20	DDGD	
C[C@@H](N)CNC(=O)NNC(=O)c1ccc(Cl)cc1Cl	841984757	LIDWZGHEWFJUPY-ZCFIWIBFSA-N	305.165	1.285	50	20	DDGD	
Cc1nc([C@@H](C)OC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)n[nH]1	840195803	DPJZJAIZHIDGNL-ASOMJZDJSA-N	324.344	1.843	50	20	DDGD	
CCCOCC(=O)NNC(=S)Nc1ccc(OCC)cc1	748833021	HPXMKYWUUXZCAG-UHFFFAOYSA-N	311.407	1.830	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1cc(C(=O)OCC)n[nH]1	843265477	NSTQPODUTSGUJF-DHZHZOJOSA-N	320.349	1.036	50	20	DDGD	
C[C@H](NC(=O)CC1CCCCC1)C(=O)NNC(=O)C1CCCC1	749849864	CLTUHAGJNKYRMI-LBPRGKRZSA-N	323.437	1.799	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2c[nH]nc2C1)c1cccc(Cl)c1	742473154	ZQRSWLPJTGEHOO-JTQLQIEISA-N	318.764	1.629	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)c1ccc(Cl)cc1	845103504	ROGUWSXHXBIMDS-SECBINFHSA-N	311.769	1.116	50	20	DDGD	
COc1ccc([C@@H](C)CC(=O)NNC(=O)c2ncccn2)cc1	841349911	BKUGPPSHLHJTDB-NSHDSACASA-N	314.345	1.440	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1cccc2c1OCO2	915954609	HFVYIWHEGXMUER-CYBMUJFWSA-N	317.389	1.987	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccco1	741512280	KYWGUIIJSZLFDJ-SECBINFHSA-N	303.274	1.753	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCN1CCCC1=O	846458944	ILSQNVBGKAPBAJ-UHFFFAOYSA-N	312.801	1.091	50	20	DDGD	
C/C(Cl)=C\C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	912508919	XTJHITYZGZRHIY-CMDGGOBGSA-N	303.790	1.219	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1nnn(C(C)C)n1	913488630	XVFWJAGQHGVAQR-UHFFFAOYSA-N	311.777	1.558	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc2ccccc2nc1O	843972105	FTXDKFTYEWVGOO-KOLCDFICSA-N	315.329	1.126	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](C)Cc2cnc[nH]2)c([N+](=O)[O-])c1	847590151	VHSNUVXAHGHXRP-VIFPVBQESA-N	319.321	1.648	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=Cc1cc(C)on1	841607610	ZABSOJWFYFBZBK-UHFFFAOYSA-N	303.318	1.911	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@@H](C)n2ccnc2)c1	845928267	LITHSLVQXJDPOW-LLVKDONJSA-N	302.334	1.764	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)[C@@H]1C[C@H]1C1CCC1	845078188	QWVXQULNRPICCP-NWDGAFQWSA-N	306.337	1.788	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@H]2CCC(=NNC(=O)CO)C[C@@H]2C1	842530218	IDKAMMHYAXKDOG-GHMZBOCLSA-N	311.382	1.118	50	20	DDGD	
O=C(NCC1CNC1)NNc1ccc(Br)c(F)c1	841965279	SZZRREODWORVEU-UHFFFAOYSA-N	317.162	1.434	50	20	DDGD	
COCCOCC(C)=NNC(=O)CNc1ccccc1OC	741161047	DUAHRGHAUAGRBV-UHFFFAOYSA-N	309.366	1.262	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H](C)C(F)(F)F)c1O	743316630	DHBAMTCBBHQIOG-ZCFIWIBFSA-N	306.240	1.360	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1cncc(Br)c1	842562690	RMFLHOKYZXNCPR-LDYMZIIASA-N	312.167	1.719	50	20	DDGD	
CO[C@H](CC(=O)NNC(=O)CNc1ccccc1)C(F)(F)F	846629211	ZMSLQPRHYHJLGI-SNVBAGLBSA-N	319.283	1.213	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1nc2c(s1)CCCC2	926441423	BOLUKXWGYFQNKU-UHFFFAOYSA-N	310.423	1.898	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNC(=O)CCOc1ccccc1	847406957	QLXKZMLWIDDVBQ-GFCCVEGCSA-N	322.361	1.192	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cn2cc(Cl)ccc2n1	748258527	AOPWLAPLFVTHNS-JTQLQIEISA-N	324.768	1.489	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1ccc2scnc2c1	756303149	YGCKBNHXDSDRCU-UHFFFAOYSA-N	314.330	1.553	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2	754863204	QUQBDLASTSOWRN-JHJVBQTASA-N	307.394	1.465	50	20	DDGD	
O=C1Nc2cccc(Cl)c2C1=NNC(=O)c1cccnc1	750913077	VMXJUKHBEFCBRO-UHFFFAOYSA-N	300.705	1.821	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@H]1C1CCC1)c1cccc(F)n1	852710276	LKRXDPCVNQDEFO-LBPRGKRZSA-N	306.341	1.840	50	20	DDGD	
CCON1CCC(CC(=O)NNC(=O)c2ccccc2C)CC1	854245704	DJAVDLRTLVPAPQ-UHFFFAOYSA-N	319.405	1.810	50	20	DDGD	
COC(=O)CCCNC(=S)NC[C@@]1(C)C[C@H]1Br	857204187	LTIPMSNZKSFOJZ-LDYMZIIASA-N	323.256	1.577	50	20	DDGD	
CC[C@@H](C)CCNC(=O)NNC(=O)COc1ccccc1O	852489567	FIYMXPRGCAVLKP-LLVKDONJSA-N	309.366	1.538	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@]2(C)COc3ccccc3O2)o1	859954188	GLRHKHBZDHIOFC-INIZCTEOSA-N	316.313	1.579	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1cc(NC(C)=O)ccc1O	920830390	VSCBNVHAAPCWRI-UHFFFAOYSA-N	322.365	1.410	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)[C@H](C)N(C)C)cc2C1	750015342	WCMPILBQOPAFSC-UWVGGRQHSA-N	309.435	1.584	50	20	DDGD	
CS(=O)(=O)c1ccc(C(=O)NNc2cccnc2Cl)o1	754477930	NAJXSJNIUPYKGZ-UHFFFAOYSA-N	315.738	1.488	50	20	DDGD	
O=C(CCSCc1ccccn1)NNC(=O)CC(F)(F)F	855000836	CQEQUTMHBVIBBV-UHFFFAOYSA-N	321.324	1.805	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(Cl)c(C#N)c2)n[nH]1	758372254	UMQKPPOEFRUWAV-UHFFFAOYSA-N	303.709	1.318	50	20	DDGD	
CCC(=NNC(=O)CCCNC(=O)C(C)(C)C)c1ccn(C)n1	853408654	XVBPQLCKJHOABA-UHFFFAOYSA-N	321.425	1.593	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccncc2Cl)nc1	759737894	IRULKGGIMVBKLQ-UHFFFAOYSA-N	306.709	1.674	50	20	DDGD	
CCC[C@]1(C)C(=O)NCCN1CCI	759508088	AIGMZYNZWGURER-SNVBAGLBSA-N	310.179	1.412	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)CCc2ccccc2)[C@H]1C	859004432	DHDQJCMGUGKYAF-JFILPPLUSA-N	304.390	1.826	50	20	DDGD	
CC(C)(C)c1n[nH]cc1C(=O)NNC(=O)c1cccc(F)n1	856426858	JRWKJBJCGGSBFD-UHFFFAOYSA-N	305.313	1.316	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2ccc(C)c(F)c2)[C@@H]1OC	854006770	NKRSSAOTUKOPCD-MJBXVCDLSA-N	311.357	1.953	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H](C)CN2CCOCC2)cc1F	853771100	MKXJTRKFRXFLRS-LBPRGKRZSA-N	324.400	1.729	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1ccc(F)cc1N(C)C	759193705	OZZRCALKBAPUSE-UHFFFAOYSA-N	301.325	1.836	50	20	DDGD	
CCc1nocc1C(=O)NNC(=O)c1cc2c(s1)CCC2	854203317	QICGBJFZJIHHTM-UHFFFAOYSA-N	305.359	1.862	50	20	DDGD	
C[C@@H]1CC(=O)NCCN1C(=O)NC[C@@]1(C)C[C@@H]1Br	856952748	DROBNHGSLLXVCG-VDDIYKPWSA-N	318.215	1.080	50	20	DDGD	
CNC[C@H](C)NC(=O)NNC(=O)c1ccc(Cl)cc1F	851682057	RQNLBMLMRLDMSI-ZETCQYMHSA-N	302.737	1.031	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)COc2ccccc2F)nc1	758000140	FSSHQNWWDWKHLK-UHFFFAOYSA-N	318.308	1.761	50	20	DDGD	
Cn1c(O)nc2ccc(C(=O)NNC(=O)C3CCCC3)cc21	751601154	HRMKETUJKCREJS-UHFFFAOYSA-N	302.334	1.230	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C[C@@H](C)COC)c1	755662740	SRBVTTJEVZDEPQ-LLVKDONJSA-N	305.403	1.658	50	20	DDGD	
Cc1nc(CC(C)C)sc1C(=O)NNC(=O)Cc1cc[nH]n1	755284404	AHRYAKAGUKOJSS-UHFFFAOYSA-N	321.406	1.377	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2cnc(C(C)(C)C)s2)n[nH]1	869012014	CHIRBSPWJHVOIW-UHFFFAOYSA-N	321.406	1.476	50	20	DDGD	
C[S@@](=O)CCCNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	769805597	KXTOFPBQQYZSEZ-MEAVBRJHSA-N	322.268	1.825	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)C1CSC1	864663357	AVEJJEWPAMXPAF-UHFFFAOYSA-N	300.383	1.893	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1cccc(NC(C)=O)c1	864362342	BPZZSEKCDFEIGK-ZROIWOOFSA-N	301.346	1.705	50	20	DDGD	
CC(C)(C)n1nc(C(=O)NNC(=O)c2cn[nH]c2)cc1C1CC1	862474812	PTYLXMZIXBCDOO-UHFFFAOYSA-N	316.365	1.313	50	20	DDGD	
CSSCCNC(=O)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2CN1	861632668	NFCBEMUYMHRRNI-NNYUYHANSA-N	301.481	1.637	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2ccc(C(C)C)cc2)[nH]n1	861881115	YJHWMJSNNVNHOG-UHFFFAOYSA-N	317.349	1.624	50	20	DDGD	
CCCN1CCC[C@H]1C(=O)NNCC(F)(F)C(F)(F)F	863094749	QSHNMNLMINNXIG-QMMMGPOBSA-N	303.275	1.679	50	20	DDGD	
C[C@](NC(=O)NNc1ncc(F)cn1)(C1CC1)C(F)(F)F	933579970	FECWZLVFTQBSNC-JTQLQIEISA-N	307.251	1.973	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)C(F)(F)C2(O)CCCC2)c1	862479131	DIBIWBKLGXLHQZ-UHFFFAOYSA-N	318.345	1.758	50	20	DDGD	
Cn1nc(C(=O)NNCC(F)(F)C(F)(F)F)cc1C1CC1	863095855	YAMSOWLAKBAALJ-UHFFFAOYSA-N	312.242	1.730	50	20	DDGD	
Cc1nn(C)c(=O)c(C(=O)OC[C@@H](C)CBr)c1C	770335056	CYFSDIIOSVSYLW-ZETCQYMHSA-N	317.183	1.585	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(OC)c2cccnc12	771282298	RJPMFSVPAXILIS-UHFFFAOYSA-N	318.333	1.433	50	20	DDGD	
C[C@H](NCC(=O)NNC(=O)C1CC1)c1c(F)cccc1Cl	775550148	YDBFZWDEIANKSF-QMMMGPOBSA-N	313.760	1.687	50	20	DDGD	
CCC/C=C\C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1	772898440	RCFQYQKYBTWXHH-PLNGDYQASA-N	323.780	1.460	50	20	DDGD	
Cc1cc(CC(=O)NNc2ccnc(Br)c2)n[nH]1	771537202	HQXVZNLFZKAYGP-UHFFFAOYSA-N	310.155	1.561	50	20	DDGD	
COCC(=O)N(C)CC(=O)NNc1cc(Cl)ccc1F	871270949	BCUFOEBFQPJFLW-UHFFFAOYSA-N	303.721	1.027	50	20	DDGD	
CCCc1n[nH]cc1C(=O)NNc1ccc(CC(=O)OC)cc1	1118269048	DYVWMMCTIGTASA-UHFFFAOYSA-N	316.361	1.835	50	20	DDGD	
COc1cc(C(C)=O)ccc1OCCCC(=O)NN(C)C(N)=O	770537170	WBGMXQIOUGMENF-UHFFFAOYSA-N	323.349	1.099	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H]2C[C@H]2C1)c1nc2ccccc2s1	873305787	YNBATCRRIWGTIN-UWVGGRQHSA-N	316.386	1.993	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CNC(C)(C)C)cc1	1117718385	BHTIZXLCFFQVHD-UHFFFAOYSA-N	307.394	1.163	50	20	DDGD	
CCOc1nc(C(=O)NNC(=O)Cc2ccccc2OC)co1	776124088	YXABUNJWZQXWCQ-UHFFFAOYSA-N	319.317	1.086	50	20	DDGD	
CCC[C@@H](CC)C(=O)NNC(=O)CNC(=O)c1cccs1	874270222	MZYOYUKZWRBUJI-SNVBAGLBSA-N	311.407	1.452	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H](NC(=O)[C@]2(C)C[C@@H]2Br)C1	1119637193	YYPYDFBYAVDUHP-JDVQERKKSA-N	304.184	1.618	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1C[C@H]2CC[C@H]1C2	771966051	YDMPHQNAIOVPBO-VOAKCMCISA-N	310.394	1.548	50	20	DDGD	
CC1(C(=O)NNC(=O)COc2ccccc2O)CC(F)(F)C1	874443124	ZSJVDLDHKVLICA-UHFFFAOYSA-N	314.288	1.354	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)c2ccc[nH]2)c1Cc1ccccc1	770106044	WLXJAMJGQVCHNC-UHFFFAOYSA-N	323.356	1.414	50	20	DDGD	
NC(=O)C1(C(=O)NNc2ncc(Cl)cc2Cl)CCC1	775266415	TYQFHRKKQHQZNF-UHFFFAOYSA-N	303.149	1.487	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1sccc1C(C)C	772044206	TWHPDVKYPKPFSG-VIFPVBQESA-N	312.391	1.974	50	20	DDGD	
Cc1onc(CC(=O)NNc2ncnc3ccsc23)c1C#N	779534320	OWVRAOAWVSZVBI-UHFFFAOYSA-N	314.330	1.545	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)CC1	780929400	ZRRPYVAKMGCLDV-UHFFFAOYSA-N	314.370	1.717	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cccc(C(=O)N(C)CC)c1	887142861	CROWIFFTUBSQGE-UHFFFAOYSA-N	315.373	1.343	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccnc(C)c2)c1	789869743	RIODTKPSSVXBMQ-UHFFFAOYSA-N	313.357	1.847	50	20	DDGD	
O=C1CN(S(=O)(=O)CCCCl)CN1Cc1ccccc1	882028189	ODEXKBZYNLZYOE-UHFFFAOYSA-N	316.810	1.247	50	20	DDGD	
CCOC[C@@H](NC(=O)NNC(=O)c1cccc(C#N)c1)C(C)C	788875067	CWTJONRGCIKPBO-CQSZACIVSA-N	318.377	1.563	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1ccc(CCC)cc1	1121019338	VVGDHFMEXPLTOM-UHFFFAOYSA-N	315.373	1.529	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1csc(-c2ncccc2F)n1	780756581	NLRARHKHZQMVEI-UHFFFAOYSA-N	315.333	1.918	50	20	DDGD	
Cn1nc(Br)cc1C=NNC(=O)c1cccnc1	782109799	AJAHUZGDFDXJKN-UHFFFAOYSA-N	308.139	1.342	50	20	DDGD	
CCNC(=O)COc1ccc(NC(=O)NNC(=O)C(C)C)cc1	782550340	ZLXPDHCIFAHXRJ-UHFFFAOYSA-N	322.365	1.010	50	20	DDGD	
Cc1cc(NC(=O)NNc2ncncc2Cl)nn1CCC#N	782058978	QIPFSLFXWXSXCU-UHFFFAOYSA-N	320.744	1.697	50	20	DDGD	
CC(=O)NNC(=O)c1sc(NC(=O)OC(C)(C)C)nc1C	782542531	ZMTUVWJSXOETMB-UHFFFAOYSA-N	314.367	1.579	50	20	DDGD	
O=S(=O)(CBr)N[C@H](CCO)Cc1ccccc1	799830001	LMTTUKPRJPDBSS-LLVKDONJSA-N	322.224	1.252	50	20	DDGD	
CCN(CC)C(=O)CCCNC(=O)NCCSSC	790674965	XDIVTHBWZGFUII-UHFFFAOYSA-N	307.485	1.945	50	20	DDGD	
CC[C@H](C)CC[C@@H](O)CC(=O)NNC(=O)NCC(F)(F)F	798314697	XEZFVNAQTYILQX-DTWKUNHWSA-N	313.320	1.456	50	20	DDGD	
CC[C@@H]1CC[C@H](C)CC1=NNC(=O)[C@@H](C)NS(C)(=O)=O	797402845	QGTMEZXYRYVKGI-HBNTYKKESA-N	303.428	1.243	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNC(=O)c1cccc(C)n1	794081424	GLXHKGDBRIPMRN-UHFFFAOYSA-N	307.350	1.130	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccoc1)c1cc2ccccc2o1	795330460	AJLRLMLHUAIXIR-UHFFFAOYSA-N	306.299	1.649	50	20	DDGD	
CNc1cc(C(=O)NNc2nc3ccccn3n2)cc(Cl)n1	791255392	BDCAHWGXTQGVSC-UHFFFAOYSA-N	317.740	1.576	50	20	DDGD	
CC(C)(C(=O)NNC(=O)COc1ccc(F)cc1)C(F)F	792016069	LPHXZHOZCWPDBE-UHFFFAOYSA-N	304.268	1.643	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@@H](c2ccccn2)C1	799193592	LYCCHTRRSIZTDG-UONOGXRCSA-N	318.421	1.453	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc2ccc(F)cc2nc1C	799576647	DOLYTQBBZBSIEB-UHFFFAOYSA-N	318.377	1.977	50	20	DDGD	
O=C(CO[C@@H]1CCOC1)NNc1cccc(C(F)(F)F)c1	1319055178	OGJRIHKIGXECOQ-LLVKDONJSA-N	304.268	1.954	50	20	DDGD	
O=S(=O)(CBr)NCC1(CO)CCCCC1	168362361	INXFMWVTYQJAOA-UHFFFAOYSA-N	300.218	1.201	50	20	DDGD	
COc1cc(Cl)cc(C=NNC(=O)C[N+](C)(C)C)c1O	1321540899	ZHABGCRQOFZGEJ-UHFFFAOYSA-O	300.766	1.211	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H]1C[C@H]1c1cccc(F)c1F	1322046852	IKTTVPUFONBWKZ-UWVGGRQHSA-N	313.373	1.972	50	20	DDGD	
Cc1cc(C(=O)NNc2ccncn2)n(C2CCOCC2)n1	1329107123	INEGYPSWDIKFGR-UHFFFAOYSA-N	302.338	1.090	50	20	DDGD	
Nc1cnnc(NNC(=O)NC2Cc3ccccc3C2)c1Cl	1320219011	QFLNLOIFFBWFTE-UHFFFAOYSA-N	318.768	1.506	50	20	DDGD	
CC(C)[C@H]1CCC[C@@H](NC(=O)NNC(=O)c2cn[nH]c2)CC1	1334930566	LUYNFLTZULGAQA-WCQYABFASA-N	307.398	1.959	50	20	DDGD	
Cc1cnc(CNC(=O)NNc2nncc(N)c2Cl)s1	1333551852	MXTBMCHAUIFYKA-UHFFFAOYSA-N	313.774	1.303	50	20	DDGD	
O=C(NNC(=O)C1(c2ccccc2)CCCC1)c1cccnn1	1332734059	SBUAJTCBQHZDSV-UHFFFAOYSA-N	310.357	1.750	50	20	DDGD	
O=Cc1cc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)cs1	1331839884	IAXLHLHFJSUHNY-UHFFFAOYSA-N	318.358	1.237	50	20	DDGD	
C[C@H](NNC(=O)c1ncc(C(N)=O)cc1Cl)C(F)(F)F	1330098865	LPMZZGYWAVZEMD-BYPYZUCNSA-N	310.663	1.019	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)Cn2ncnn2)C1	1347830374	BCNNFEACBRJKIN-LLVKDONJSA-N	311.462	1.296	50	20	DDGD	
Nc1cnnc(NNC(=O)c2nc[nH]c2C(F)(F)F)c1Cl	1261776376	PWFBHRGLNWJAIL-UHFFFAOYSA-N	321.650	1.211	50	20	DDGD	
CCC[C@@H](CC(C)C)C(=O)NNC(=O)C(=O)NC(CC)CC	1344098529	IRNSUQTZQGHDPR-LBPRGKRZSA-N	313.442	1.901	50	20	DDGD	
CC(C)c1nnsc1C(=O)NNC(=O)OCC(F)(F)F	1358398115	LHLHCPCHUHEPRD-UHFFFAOYSA-N	312.273	1.595	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCN2C(C)(C)C)cc1	1350295591	XYAFEVZYXXCMOC-ZDUSSCGKSA-N	305.378	1.329	50	20	DDGD	
C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNc1c(F)cccc1Cl	1519883707	RVTQSNKQYSQQKS-BXKDBHETSA-N	312.776	1.311	50	20	DDGD	
CCCNC(=O)[C@H](C)NC(=O)NC[C@@]1(C)C[C@H]1Br	1521195532	SHBIYCAAUFXSEU-YGOYTEALSA-N	320.231	1.374	50	20	DDGD	
Cc1nn(C)c(C(=O)NNc2ccccc2C(=O)O)c1[N+](=O)[O-]	1600768541	XUJHDBSBZSIUBY-UHFFFAOYSA-N	319.277	1.092	50	20	DDGD	
Cc1cc(Br)cnc1NNC(=O)C1(C(=O)O)CC1	1600073881	ZYZJFTHHCJSJJD-UHFFFAOYSA-N	314.139	1.460	50	20	DDGD	
CC(C)[C@@](C)(O)C(=O)NNc1ccc(C(=O)O)c(Cl)c1	1609684038	OOFZPQZYHAXQLQ-CYBMUJFWSA-N	300.742	1.888	50	20	DDGD	
Cn1cnc(/C=C\C(=O)NNc2ccc(C(=O)O)c(F)c2)c1	1600990108	KNLXXQJJOUEKRA-HYXAFXHYSA-N	304.281	1.414	50	20	DDGD	
O=C(O)[C@@H]1CCN(S(=O)(=O)CCCCl)[C@H]2CCCC[C@H]21	1601829298	MLYRGWFCOCXSJC-TUAOUCFPSA-N	323.842	1.910	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C\c1nc(-c2nn[nH]n2)cs1	1609216477	LUOWMVAFSWFQMG-DAXSKMNVSA-N	310.364	1.012	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)O)C[C@@H]23)o1	1600340996	IEDPWSNVFBMJAX-DBIOUOCHSA-N	321.333	1.031	50	20	DDGD	
Cc1nn(C)c(C)c1CCC(=O)NNc1cccc(C(=O)O)c1	1607998655	JIJBISINTIGCLP-UHFFFAOYSA-N	316.361	1.811	50	20	DDGD	
CCSCc1cc(C(=O)NNc2ncccc2C(=O)O)no1	1603894605	IFSJGHQYDCZBSR-UHFFFAOYSA-N	322.346	1.778	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccnc3ccncc23)nc1	1608904933	QBWJTBGBMTUMKF-UHFFFAOYSA-N	309.285	1.480	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)c(F)c1)C(=O)c1ccccc1	1608481149	BJTMWZULRQSOGY-UHFFFAOYSA-N	302.261	1.850	50	20	DDGD	
CCc1ncc(CNC(=O)NNc2cccc(C(=O)O)c2)o1	1610072551	CTBXBCCRFXMPFA-UHFFFAOYSA-N	304.306	1.762	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccnnc1NC(C)C	1548616385	DLUCNSLHOQQOEU-UHFFFAOYSA-N	313.361	1.680	50	20	DDGD	
CCn1cc([C@H]2OCC[C@H]2C=NNC(=O)c2ccnnc2)cn1	1552452800	GRULXOWNVROUGF-FZMZJTMJSA-N	314.349	1.186	50	20	DDGD	
CSCC[C@H](N)C(=O)NNC(=S)Nc1cccc(C)c1	1579378487	BSSAVGXRIFDWDG-NSHDSACASA-N	312.464	1.393	50	20	DDGD	
C=C(CC(C)C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	1588441855	HSUITQRTDKBXPD-UHFFFAOYSA-N	314.349	1.230	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@]1(C(=O)O)C[C@H]1C	1593867330	UWSQDURJDBKTOS-UOWDBTKRSA-N	310.281	1.166	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@H](Cc1cccc(C)c1)C(=O)O	1596864358	SEASSCUHKKOOPV-XFNCEPBJSA-N	316.357	1.799	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1ccc(Cl)c(C(=O)O)n1	1596864966	YMJBNLWJEJTXBP-FPLPWBNLSA-N	309.709	1.493	50	20	DDGD	
COc1ccnc(NNC(=O)C2(C(=O)O)CCCCCC2)n1	1594150572	LDYVLZVLSUZUDY-UHFFFAOYSA-N	308.338	1.354	50	20	DDGD	
O=C(O)[C@H](C(=O)NNc1ccc(C(F)(F)F)nn1)C1CC1	1594836246	QVWPTOMHHICRCS-QMMMGPOBSA-N	304.228	1.049	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ncc(Cl)cn1	1593167835	SOCBIQHQSMPDOY-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
CCn1cc(CC(=O)NNc2cccc(C(=O)O)c2C)cn1	1597884214	FQMYMBXVEZDCGU-UHFFFAOYSA-N	302.334	1.595	50	20	DDGD	
COc1ccccc1NNC(=O)c1cccc(-c2nn[nH]n2)c1	1591651593	FCDMLPHNMYTDCZ-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
O=C(NN=Cc1ccc2oc(C(=O)O)cc2c1)c1cccnn1	1776103573	PWQJXUOMPPXTOX-UHFFFAOYSA-N	310.269	1.685	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1ccc2nccnc2c1	15528692	RDPMBILGNZFIAN-UHFFFAOYSA-N	324.315	1.773	50	20	DDGD	
COC(=O)NNC(=O)[C@H]1COc2ccc(Br)cc21	158706240	VVIZONWYCDFPNY-QMMMGPOBSA-N	315.123	1.312	50	20	DDGD	
COC(=O)NNC(=O)c1cc(C(C)C)n(-c2ccccc2)n1	158933551	BTGYEIRCQUHIFM-UHFFFAOYSA-N	302.334	1.997	50	20	DDGD	
Cc1cc(C)cc(NC(=O)C(=O)NNC(=O)c2cccnc2)c1	160605701	OXWPYHBYHBDQQO-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
C[C@@H](C1CC1)N(C)CC(=O)NNC(=O)c1cccc(C#N)c1	164698698	NHNUQFMSHKCERI-NSHDSACASA-N	300.362	1.050	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@]1(O)CCSC1	153827965	UIKUMUYMCNPBOK-ZDUSSCGKSA-N	306.347	1.048	50	20	DDGD	
O=C(NNc1nccc(N2CCOCC2)n1)c1cc(Cl)c[nH]1	155558177	IUUVSMZQJARQOR-UHFFFAOYSA-N	322.756	1.052	50	20	DDGD	
COc1cc(C(=O)NNC(=S)NCC2CCC2)ccc1F	157371123	BELHXQOYVFUROT-UHFFFAOYSA-N	311.382	1.743	50	20	DDGD	
NC(=O)COc1ccc(NS(=O)(=O)CCCCCl)cc1	184763620	JWAUWUXELFBYCQ-UHFFFAOYSA-N	320.798	1.311	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N(Cc1ccccc1)CC1CCC1	584934436	SCBSGUFBPJQHFI-UHFFFAOYSA-N	323.201	1.809	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NC[C@H]1CSCCS1	493501677	YBWLENUVPSDJHF-QMMMGPOBSA-N	307.441	1.574	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cnns2)c2ccccc21	54147405	HJRAMJWNUSMZNU-UHFFFAOYSA-N	301.331	1.105	50	20	DDGD	
CCOC(=O)NNC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O	52539101	WHNRJLRGDKPJDH-AWEZNQCLSA-N	317.345	1.728	50	20	DDGD	
CSc1nc(C)c(CCC(=O)NNC(=O)NC2CC2)c(C)n1	64428378	YFGBZQDZTQBUHN-UHFFFAOYSA-N	323.422	1.241	50	20	DDGD	
C=CC[C@@H](C)NC(=O)NNC(=O)Cn1ccc2ccccc21	116956544	BMPZSFXTTAWMEA-GFCCVEGCSA-N	300.362	1.936	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)c2cc(CC)n[nH]2)c1	171222524	JWDBNWSPSMJYFP-UHFFFAOYSA-N	313.386	1.585	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccc(Cl)cn1	119238812	RVLNSENFEQRDNL-UHFFFAOYSA-N	319.748	1.747	50	20	DDGD	
COc1ncccc1NC(=O)C(=O)NNc1c(F)cccc1F	119824764	IKIHDYBPQOZDMJ-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
O=C(NCCNC(=O)c1cccs1)NNc1ccccc1	114931808	LURAIQDVUKPJQM-UHFFFAOYSA-N	304.375	1.804	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc(Cl)c2c(c1)OCO2	61224707	QOSMCCXLXTYGHF-UHFFFAOYSA-N	321.720	1.482	50	20	DDGD	
C[C@H](OCc1ccccc1)C(=O)NNC(=O)NC1CCCC1	68283291	GLCWALQUQYLWQY-LBPRGKRZSA-N	305.378	1.865	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(F)ccc2F)nc1	179794054	ZGROFZMEVAWIGD-UHFFFAOYSA-N	307.256	1.903	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)n1	21127150	RVSHAWVJVLTSFT-FUNVUKJBSA-N	302.378	1.932	50	20	DDGD	
CCN(CC(=O)NNC(=O)C1CC1)Cc1ccc(Cl)s1	112975870	KBWCLVGDHYXGGL-UHFFFAOYSA-N	315.826	1.781	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)s1	26974863	IZWQOTPJJYXRKY-GFCCVEGCSA-N	318.354	1.658	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1cnccn1)N1C[C@@H](C)O[C@H](C)C1	114878999	LISUDUHFBFZLMI-BZPMIXESSA-N	307.398	1.054	50	20	DDGD	
C[C@@H](CC(=O)NNc1cnccn1)NC(=O)C1CCCCC1	114879093	GFLALEHIZJIPHD-NSHDSACASA-N	305.382	1.395	50	20	DDGD	
COc1ccc(C(=O)CCC(=O)NNc2cnccn2)cc1	114881059	QIKHUFLMLWKGOF-UHFFFAOYSA-N	300.318	1.591	50	20	DDGD	
O=C(NCC1CC1)NN=C1CCN(Cc2ccccn2)CC1	64920514	UAEXHIMLEHHLAU-UHFFFAOYSA-N	301.394	1.743	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C[C@H](C)NC(=O)C2CCCC2)n1	171364694	WNMVUBVSHHVENY-LBPRGKRZSA-N	319.409	1.622	50	20	DDGD	
CC(C)OCCCC(=O)NNC(=O)c1cccc(N(C)C)c1	181453725	WZOVUGBUDFIHEZ-UHFFFAOYSA-N	307.394	1.719	50	20	DDGD	
COCC(=O)NNC(=O)Nc1c(C)noc1-c1ccccc1	126436175	CHHQGVSPONWYMS-UHFFFAOYSA-N	304.306	1.449	50	20	DDGD	
CSc1cccc(NC(=O)NNC(=O)Cc2cc[nH]n2)c1	186401854	MCSMFPHSUCBDNM-UHFFFAOYSA-N	305.363	1.527	50	20	DDGD	
O=C(NNc1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1	181363382	TUUWTQNSZDSCDO-UHFFFAOYSA-N	313.292	1.784	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)COc1cc(C)cc(C)c1	124777682	BYRUYASSFGMFBH-ZDUSSCGKSA-N	310.419	1.971	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cnn(C)c2)cc1F	184069543	CWTFTOJNNOSOAZ-UHFFFAOYSA-N	307.285	1.034	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1cnn(-c2ccccc2)c1	181403884	LDKNVHOGZWHJFP-UHFFFAOYSA-N	322.328	1.349	50	20	DDGD	
CC[C@@H](C)[C@H](C)C(=O)NNc1nccc(N2CCOCC2)n1	184208023	VRWQNBYIHOBOQF-NEPJUHHUSA-N	307.398	1.439	50	20	DDGD	
CC(C)(Oc1ccc(F)cc1)C(=O)NNC(=O)c1cccnc1	30813988	IJPVSEZYJPIKEG-UHFFFAOYSA-N	317.320	1.839	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)c1ccc(C#N)cc1)C(C)C	74930817	QIRDTIWQAOXNMX-ZDUSSCGKSA-N	304.350	1.173	50	20	DDGD	
Cn1nc(CCNC(=O)NNc2cccnn2)c2ccccc21	185486162	MXCASZOZNOWDNW-UHFFFAOYSA-N	311.349	1.232	50	20	DDGD	
CCc1ncc(NC(=O)NNC(=O)CCc2ccccc2)cn1	183326137	CCNQVZKGFONPJT-UHFFFAOYSA-N	313.361	1.825	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])c(O)c1	47183234	SWDYQHYKHLOVHL-UHFFFAOYSA-N	315.285	1.684	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2cc(C)n[nH]2)cnn1CC(C)C	133294228	FAHGMLUGGPCBKM-UHFFFAOYSA-N	318.381	1.208	50	20	DDGD	
CC(C)c1noc(CCC(=O)NNc2nc3ccccn3n2)n1	191921453	NOQGOVALIZZGHW-UHFFFAOYSA-N	315.337	1.312	50	20	DDGD	
Cc1cc(NNC(=O)c2cccc(OCC(F)F)n2)nc(C)n1	89830644	DFYZMVQYWAYURR-UHFFFAOYSA-N	323.303	1.889	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)Cc1ccncc1	194996639	ONUCOBKTXMYSMB-LLVKDONJSA-N	317.320	1.378	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc(-n3cccn3)c2)o1	84374284	XKKMJEVCPMJWES-UHFFFAOYSA-N	310.313	1.849	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)CCc1ccc(C(C)C)cc1	44350019	XPJGVLCUJICFDX-UHFFFAOYSA-N	319.405	1.415	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)CCc1ccccc1)C1CCOCC1	134953018	BZKQGCMTTVBVOY-ZDUSSCGKSA-N	319.405	1.765	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cccnc2)c(-c2ccccc2)n1	90820042	PYOJDDKZNIONEZ-UHFFFAOYSA-N	321.340	1.557	50	20	DDGD	
Cc1ncc(/C=C\C(=O)NNC(=O)NCc2ccco2)s1	255583022	GYABDXVLEHCVET-PLNGDYQASA-N	306.347	1.588	50	20	DDGD	
COCCOCCCNC(=O)NNc1ccc(Cl)nc1	266874418	VFLZESUGKCXWRK-UHFFFAOYSA-N	302.762	1.414	50	20	DDGD	
Cc1c(NNC(=O)NCCCn2ccnc2)cccc1[N+](=O)[O-]	263996262	XNHUVQKQDLCPCT-UHFFFAOYSA-N	318.337	1.816	50	20	DDGD	
CC[C@H](C)[C@H](C)NC(=O)NNc1nc(O)c2cnn(C)c2n1	269414818	OACNYVSHNOBQSM-YUMQZZPRSA-N	307.358	1.130	50	20	DDGD	
CCOCc1ccccc1CNC(=O)NNC(=O)C1CCC1	264771979	WFQBZVGXNJPNIE-UHFFFAOYSA-N	305.378	1.854	50	20	DDGD	
O=S(=O)(CBr)N[C@H]1CCc2c(O)cccc21	272828032	QJFHCVPXONHPRJ-VIFPVBQESA-N	306.181	1.651	50	20	DDGD	
O=C(NNc1nnc(C2CC2)s1)c1nccn2ccnc12	273626489	PHVYTLIVIHFJMV-UHFFFAOYSA-N	301.335	1.215	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2c[nH]c3ccccc23)CCO1	271246718	IKSLCKXKRKWYOO-WDEREUQCSA-N	316.361	1.679	50	20	DDGD	
COC(=O)Cc1cccc(OS(=O)(=O)CBr)c1	272765857	DFUBRBXNEVJYRK-UHFFFAOYSA-N	323.164	1.463	50	20	DDGD	
COc1nccnc1NNC(=O)CCc1ncc(C(C)(C)C)o1	279104840	BCBKYDHIVFLLHE-UHFFFAOYSA-N	319.365	1.847	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1cnn(CC(F)(F)F)c1	273595099	QHIVBGGSJADRKF-UHFFFAOYSA-N	305.260	1.398	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C[C@H](C)SC	270174861	CBCIJHQPPWTKHN-JTQLQIEISA-N	311.407	1.396	50	20	DDGD	
CNC(=O)CCCC(=O)NNC(=O)C(C)(C)c1ccccc1	275440434	FUIXLNMSPNOLAA-UHFFFAOYSA-N	305.378	1.028	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H](OC)C2CC2)c1	280766343	MLIUSFSTRGTTMS-CYBMUJFWSA-N	303.387	1.411	50	20	DDGD	
C=C(CBr)CN1CC[C@H](OC)C[C@@H]1C(=O)OC	377068083	PWBYOYSPPRULFV-WDEREUQCSA-N	306.200	1.590	50	20	DDGD	
CSCCONC(=O)NNc1cccc([N+](=O)[O-])c1C	280510394	LUQGNLRIDOWSKT-UHFFFAOYSA-N	300.340	1.824	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)c1cc2ccccc2o1	286369463	ADHBVQNSGABPBT-GHMZBOCLSA-N	316.313	1.393	50	20	DDGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNC(=O)NCc2ccco2)C1	280547145	JULASXPDSWLWGT-VXGBXAGGSA-N	309.366	1.705	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCC2CCN(C)CC2)n1	280888998	NQVWRZVTXXIGIQ-UHFFFAOYSA-N	319.409	1.066	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NNc1nccnc1C1CCC1	287237042	PUHMXFAHYGZYKA-LBPRGKRZSA-N	319.409	1.156	50	20	DDGD	
COc1ccc(C(=O)NNc2nccnc2C2CCC2)nn1	286864415	CKTSSNAFSDYXJM-UHFFFAOYSA-N	300.322	1.300	50	20	DDGD	
COC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)c1cc2ccccc2o1	286369466	ADHBVQNSGABPBT-MNOVXSKESA-N	316.313	1.393	50	20	DDGD	
CCC(CC)(CNC(=O)NNc1cccc(F)n1)C(=O)OC	286647876	IFAJSPYWYWVUOK-UHFFFAOYSA-N	312.345	1.826	50	20	DDGD	
Cn1ccc2ccc(NC(=O)NNC(=O)[C@@H]3CCCO3)cc21	293449412	VTQSJTAJEKPWLU-ZDUSSCGKSA-N	302.334	1.510	50	20	DDGD	
COCCOc1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)cc1	295250810	AFQWBTKKBJLLOD-CQSZACIVSA-N	322.361	1.042	50	20	DDGD	
C#CC[C@H](NC(=O)NNC(=O)[C@H]1CCCCO1)c1ccccc1	296631424	YXALHWAURSUPKI-LSDHHAIUSA-N	315.373	1.651	50	20	DDGD	
COC1(CNC(=O)NNC(=O)c2ccccc2O)CCCC1	297294232	HEQBZTLEKYMLEZ-UHFFFAOYSA-N	307.350	1.295	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1cccc(Cl)n1)C1CCCC1	293682483	LNJSHZGMQFDIIJ-CYBMUJFWSA-N	310.785	1.873	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H](C)CCN(C)C)cc1	299384124	RCHBPDDHVUVVIL-ZDUSSCGKSA-N	322.409	1.044	50	20	DDGD	
COc1cccc(NNC(=O)c2cnc(C(C)(C)C)nc2)n1	807214442	ZAELCTLDKQRNBH-UHFFFAOYSA-N	301.350	1.935	50	20	DDGD	
CN(C)C1(CNC(=O)NNc2ccncn2)CCCCCC1	297444798	LQXJIHBITXUPKD-UHFFFAOYSA-N	306.414	1.757	50	20	DDGD	
CO[C@@](C)(C(=O)NNc1nc(-c2ccccc2)no1)C1CC1	291653136	ILRLGMPOSKNOQH-OAHLLOKOSA-N	302.334	1.995	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CCCC(F)(F)F	807368475	DQIMWQDUBHMDFV-UHFFFAOYSA-N	314.304	1.656	50	20	DDGD	
CC[C@@H](C)CONC(=O)NNC(=O)c1ccc2c(c1)OCCO2	291699411	FFZSYFJNHKJZMV-SNVBAGLBSA-N	323.349	1.380	50	20	DDGD	
CCCN(C)C(=O)[C@H]1CSCN1C(=O)/C(C#N)=C/OCC	294506441	JWXIKVLYCJQZPW-JATZPVMKSA-N	311.407	1.200	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)NC(C)(C)C)cc1	298754980	SOTZPQSWFJFQKM-NSHDSACASA-N	323.393	1.982	50	20	DDGD	
CC[C@@H]1CN([C@H](CC)C(=O)NNc2ncccc2F)CCO1	804216775	YZKCNFDPACYBPC-DGCLKSJQSA-N	310.373	1.553	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2ccc3ccccc3n2)on1	816827928	KXDYVZVGTQSPGQ-UHFFFAOYSA-N	310.313	1.535	50	20	DDGD	
Cn1ncc2ccc(CNC(=O)NNC(=O)C(C)(C)C)cc21	812885203	MYXLEVAXZOKQCE-UHFFFAOYSA-N	303.366	1.450	50	20	DDGD	
N#CSCCCNC(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O	816538285	LOIIGYZRDWTZOH-ZDUSSCGKSA-N	321.377	1.899	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=C1CCOC1(C)C	814766399	IUEJAMMSQVFTCI-YNEHKIRRSA-N	311.426	1.403	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C1(F)CCCCC1	811249368	PCWHRPJRBUVYDP-NSHDSACASA-N	316.373	1.784	50	20	DDGD	
CC(C)c1scnc1C(=O)NNc1ccnc(N(C)C)n1	810427487	JWQPHYCCFABAJF-UHFFFAOYSA-N	306.395	1.879	50	20	DDGD	
Cn1c(Cl)nc(Cl)c1C=NNC(=O)Cc1ccncc1	814862900	WVEUGSKKDDCXMJ-UHFFFAOYSA-N	312.160	1.815	50	20	DDGD	
O=C(Cc1ccc(OC(F)F)cc1)NNc1ncncc1F	817081949	HSSLKNYTNHJEEB-UHFFFAOYSA-N	312.251	1.903	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)CCCCN(C)C)cc1	729286643	UONOBABZOYIRFG-UHFFFAOYSA-N	323.462	1.966	50	20	DDGD	
CCOCC(=O)NN=C(COC)c1cccc(Cl)c1F	814843285	RNVMXZYDJUSWIU-UHFFFAOYSA-N	302.733	1.982	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCCCCC#N)cc1C	729057694	ZEQUENYVVBJDNF-UHFFFAOYSA-N	318.377	1.707	50	20	DDGD	
COc1ccc(C)cc1CC(=O)NNC(=S)NCC1CCC1	727869278	MOFCOKWEEHKTOR-UHFFFAOYSA-N	321.446	1.842	50	20	DDGD	
O=C(CC(F)(F)F)NN=Cc1nccn1CC(F)(F)F	727685094	ZTCFLOWVTITYQL-UHFFFAOYSA-N	302.178	1.848	50	20	DDGD	
COC(=O)N1CCC(CNC(=O)NN(C)c2ccccc2)CC1	495837298	NXELBFBQJCHPCJ-UHFFFAOYSA-N	320.393	1.815	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1C[C@H](C)OC[C@H]1c1ccccc1	827944138	ALMIAWZDIGSFFW-ZFWWWQNUSA-N	319.405	1.252	50	20	DDGD	
Cn1nc(C(=O)NNc2cnnc3ccccc23)c2c1CCCC2	825836434	ZWFZFCUETHNFIT-UHFFFAOYSA-N	322.372	1.999	50	20	DDGD	
O=C(CC[C@@H]1CCCCO1)NNc1ccc(-c2nn[nH]n2)cc1	826405914	ZHDJJFVAJUHYIY-ZDUSSCGKSA-N	316.365	1.659	50	20	DDGD	
CC(C)(C)Cc1nc(-c2cccc(C(=O)NCB(O)O)c2)no1	585060733	XLCONFRFTFRPOS-UHFFFAOYSA-N	317.154	1.067	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc(OC(F)F)cn1	495533598	MNEFMMCVKPVIAP-UHFFFAOYSA-N	303.265	1.853	50	20	DDGD	
N#C/C(=C\c1csnn1)C(=O)c1cccc(-c2nn[nH]n2)c1	826379372	QIHNFRSBEWJTBT-BJMVGYQFSA-N	309.314	1.508	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1C[C@H]1C1CCCCC1	826648717	HSURPULAJQMPFV-AHLTXXRQSA-N	309.410	1.711	50	20	DDGD	
Cc1oc(-c2cccs2)nc1CC(=O)NN(C)C[C@H](C)O	821217387	IMRFCIIDXSQJJM-VIFPVBQESA-N	309.391	1.598	50	20	DDGD	
CN1CC[C@]2(CCN(C(=O)/C(C#N)=C\c3ccc(O)cc3)C2)C1	490944725	XQLQDHQISKXANT-BXBOZWQASA-N	311.385	1.853	50	20	DDGD	
OB(O)[C@@H]1CCN(Cc2cn3ccc(Br)cc3n2)C1	585077895	XQUDATHGKRNLRX-SECBINFHSA-N	323.987	1.146	50	20	DDGD	
CN(NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC(C)(C)C	496850035	UQFGVQHSRSFNQB-UHFFFAOYSA-N	311.363	1.618	50	20	DDGD	
O=C(NN=C1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccoc1	823269336	CTUYPFVEUVPAGA-UHFFFAOYSA-N	322.328	1.930	50	20	DDGD	
Cn1cnnc1CCCNC(=O)/C(C#N)=C/c1ccc(F)cc1	491135933	UYDSFRJMMJULMB-UKTHLTGXSA-N	313.336	1.610	50	20	DDGD	
COCC[C@@H]1CCCC1=NNC(=O)CNC(=O)OC(C)(C)C	497224723	CIJJGCDVSJCTRH-NSHDSACASA-N	313.398	1.820	50	20	DDGD	
COc1c(Br)cccc1CN1CC[C@@H](B(O)O)C1	585076842	QDJUFSXIFFNIMU-SNVBAGLBSA-N	313.988	1.506	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1ccc(OC2CC2)cc1	829614322	LMLWKNPQHZSZLU-UHFFFAOYSA-N	300.336	1.167	50	20	DDGD	
Cc1nc(C2CC2)sc1C(=O)Nc1cccc(B(O)O)c1	584913837	KKLHHUYTSMURBX-UHFFFAOYSA-N	302.164	1.261	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NC[C@@H]1CCCCN1C1CC1	497148132	PVWUQZDXFVWWAK-LBPRGKRZSA-N	312.414	1.742	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccc(Cl)c2cccnc12	495406544	DMVCTNULDYPSPI-UHFFFAOYSA-N	322.708	1.214	50	20	DDGD	
CCC[C@@H](C)[C@H]1CCCN1C(=O)c1cc(B(O)O)ccc1F	584962464	GWVSNDOXFIFRSB-IAQYHMDHSA-N	307.174	1.546	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)NCCc1cccs1)c1cnccn1	906418335	UEDHQIKBALEYHV-SNVBAGLBSA-N	319.390	1.215	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1CNC(=O)NNc1cccnn1	736377179	BNZYHJIZGUIXHS-UHFFFAOYSA-N	318.293	1.220	50	20	DDGD	
CCCOc1ccc(CCC(=O)N2CC[C@@H](B(O)O)C2)cc1	585066203	MACWFXAJUGFHNW-CQSZACIVSA-N	305.183	1.483	50	20	DDGD	
COCCC(=NNC(=O)c1cnn(C)c1)c1ccc(F)cc1	735411317	XGILDQIHVNMUSP-UHFFFAOYSA-N	304.325	1.730	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C[C@@](C)(CN(C)C)c1ccccc1	834932707	JGBXWGDVCUEBHX-KRWDZBQOSA-N	318.421	1.133	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCOCC2)c(F)c1)C1CCC1	731933030	UGGSOGGUPCGOOL-UHFFFAOYSA-N	305.353	1.913	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)C2(C3CCCCC3)CC2)CC1	908054752	IKMJYUHDCVXSBW-UHFFFAOYSA-N	308.426	1.335	50	20	DDGD	
CN(CC(=O)NNC(=O)C(C)(C)C)Cc1ccc(C(=O)O)cc1	830676444	HCDXRZVOWGWPJE-UHFFFAOYSA-N	321.377	1.010	50	20	DDGD	
OB(O)c1cccc(CNC[C@@H]2CCCN(c3ccccc3)C2)c1	585039022	NZSFKKQNKCYLDK-KRWDZBQOSA-N	324.233	1.373	50	20	DDGD	
CN(C(=O)c1cccc(B(O)O)c1)C1C2CC3CC(C2)CC1C3	584929932	VWSDJOXHOJJMAI-UHFFFAOYSA-N	313.206	1.263	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H](C)Cc1cnn(C)c1	837653859	QFWWZJXOTYKKCW-NSHDSACASA-N	317.349	1.959	50	20	DDGD	
COc1cccc(C=NNC(=O)c2cnn(C)c2)c1OC(F)F	735412411	ZUJNITWWMBZRST-UHFFFAOYSA-N	324.287	1.794	50	20	DDGD	
CSc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)nc1	831650838	YFJVYHWSFKAYDO-PSASIEDQSA-N	310.379	1.381	50	20	DDGD	
O=C(NCC(Cl)Cl)[C@H]1CC(=O)N(Cc2ccccn2)C1	837650927	LWDBPQUATCAMTC-VIFPVBQESA-N	316.188	1.350	50	20	DDGD	
CC(=O)NNC(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1	730585191	RLLHMEKXDHJWTH-UHFFFAOYSA-N	311.313	1.954	50	20	DDGD	
O=C(O)NCC(=O)NNc1ccc(F)cc1Br	833777426	QMMZMVOQNQQKTD-UHFFFAOYSA-N	306.091	1.299	50	20	DDGD	
O=C(c1cccc(Oc2ccncc2)c1)N1CC[C@@H](B(O)O)C1	585069593	NRGNKUUHDUATSR-CYBMUJFWSA-N	312.134	1.563	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2C[C@H](C)O[C@H]2C)cc1C	834932969	AAAXBUSLNMUHIB-RYUDHWBXSA-N	303.362	1.911	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCC[C@@H](C(=O)O)C2)c(O)c1	832912131	VEKQEDRPFVMQHN-WDEREUQCSA-N	320.345	1.353	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@@H]2C[C@H]2c2cccc(O)c2)n1	839687914	IKTNUDDAXLLOCA-QWHCGFSZSA-N	313.361	1.495	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCCc1ccccc1F	918060206	GXQCFBOAFBCGQN-UHFFFAOYSA-N	307.247	1.651	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CC1C2CC3CC(C2)CC1C3	845454943	LCBVRMHZMBRWPT-UHFFFAOYSA-N	316.405	1.942	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC[C@H](C)C(=O)O)c1ccccc1	848586150	SJZJLDMZEVGCDR-JQWIXIFHSA-N	307.350	1.231	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)C[C@H](C)n2ccnc2)n1	846638012	CWVBLGAYHRJLCY-LBPRGKRZSA-N	317.397	1.614	50	20	DDGD	
Cc1oc2ccccc2c1CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843656310	MNCBLRMPOODZDU-PWSUYJOCSA-N	316.357	1.856	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NC1CCC(N)CC1)c1ccccc1	841945462	MFGBNFIVTAMOAB-UHFFFAOYSA-N	318.421	1.565	50	20	DDGD	
O=C(C[C@@H]1CCc2ccccc21)NNc1ncnc2[nH]cnc12	743473245	MDWBCVYKTWWNBS-NSHDSACASA-N	308.345	1.916	50	20	DDGD	
CC(C)(C)OC(=O)[C@]1(C(=O)NNc2ncccn2)CC=CCC1	845161761	AFODJGBXMNZCOR-MRXNPFEDSA-N	318.377	1.988	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1	748704422	SYBAXMFIYPOZGJ-UHFFFAOYSA-N	300.318	1.162	50	20	DDGD	
CCc1ccccc1-n1cc(O)c(C(=O)NN(C)C[C@H](C)O)n1	910138686	KPCAJAJBVNMAOH-NSHDSACASA-N	318.377	1.098	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	910167491	GPGNRTCEJZGVOM-UKRRQHHQSA-N	323.412	1.382	50	20	DDGD	
CSc1nc(C2CC2)nc(C)c1C(=O)NNC(=O)C(C)C	746095873	GHEIYWLPDDEBBY-UHFFFAOYSA-N	308.407	1.801	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)N(C)C)c1	746115374	SDDQOCUSLFGOBK-ZWSXMNCCSA-N	302.330	1.622	50	20	DDGD	
Cc1oc2ccccc2c1CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843656316	MNCBLRMPOODZDU-ZYHUDNBSSA-N	316.357	1.856	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)[C@@H]1CCCN1C(=O)C1CC1	844134669	NHIYEORQJPYLJH-NSHDSACASA-N	308.769	1.579	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Cn1ccc2ccccc21)[C@@H](C)O	842231103	GGKUCRKMSHRMGM-DGCLKSJQSA-N	303.362	1.196	50	20	DDGD	
C[C@H](CNC(=O)NNc1ncc(Br)cn1)C1CC1	847299505	YZNIKCPOPYEZSU-SSDOTTSWSA-N	314.187	1.911	50	20	DDGD	
O=C(NCCc1cn2ccccc2n1)NNC(=O)C1CCCC1	916247383	UDVJNURMHRBSSN-UHFFFAOYSA-N	315.377	1.397	50	20	DDGD	
CCn1cc(N(CC(=O)NNC(=O)C(C)C)CC(C)C)cn1	846983096	JRUNJEZENNYFGG-UHFFFAOYSA-N	309.414	1.169	50	20	DDGD	
CO[C@](C)(C1CC1)[C@@H](C)NC(=O)NNC(=O)c1ccccc1	840416851	NUSPIYBPKYTITO-BZNIZROVSA-N	305.378	1.834	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1c[nH]nc1-c1cccc(Cl)c1	910166197	OJCJXEHOJZAPLW-VIFPVBQESA-N	308.769	1.688	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1nc(Cl)ccc1F	843663489	XVMFYBADUJSOJA-BQBZGAKWSA-N	301.705	1.060	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@@H](C[C@@H]1CCCO1)C(F)(F)F	845299791	NULLLKRPDWXSSO-VHSXEESVSA-N	323.315	1.474	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)Cc1cccnc1)[C@H]1CC1(C)C	841578790	XBXYKTPRZOEJTI-CHWSQXEVSA-N	304.394	1.779	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cccc(C(=O)O)c1Cl	842549452	MKLDQRFQJWJZIJ-WCBMZHEXSA-N	310.737	1.913	50	20	DDGD	
CNC(=O)NN=Cc1cc(OC)ccc1OCc1ccccn1	921259568	FMUABVYZKCKLAR-UHFFFAOYSA-N	314.345	1.932	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1c[nH]c2cccc(F)c12	843978999	LTEJDEZBYQGUQR-IUCAKERBSA-N	305.309	1.493	50	20	DDGD	
Cc1ccnc(NNC(=O)Cc2nnn(-c3ccccc3)c2C)c1	755844108	PSQOWKOSWXJOOF-UHFFFAOYSA-N	322.372	1.965	50	20	DDGD	
C[C@]1(CNC(=O)c2ccn3nnnc3c2)C[C@@H]1Br	857406997	BUQZNQQGLZTKNM-GZMMTYOYSA-N	310.155	1.028	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@H]1CCCCN(C)C1	858096844	QIEVXHJTERVZJK-CQSZACIVSA-N	318.421	1.671	50	20	DDGD	
NCCCCCC(=O)NNC(=O)C(F)(F)c1ccccc1F	857766543	OAIHVLPAVAWBJS-UHFFFAOYSA-N	317.311	1.584	50	20	DDGD	
CS[C@@H]1CC[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	852152309	NNLNZFQBNGIBHW-RKDXNWHRSA-N	312.370	1.449	50	20	DDGD	
CC[C@@](C)(O)C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	929340871	HJHIZCLRWMXVKT-BJOHPYRUSA-N	310.419	1.795	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccn1)c1cc2n(n1)CCO2	857513799	KOJJTKFEFJHMFW-UHFFFAOYSA-N	313.239	1.446	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](C)Oc1cccc(Cl)c1	854928335	UGWLTLZMVOPJAX-QMMMGPOBSA-N	301.799	1.575	50	20	DDGD	
Cc1n[nH]c(C)c1C=NNC(=O)c1nnc(-c2ccccc2)o1	920385539	RHAJRRBAGSXFNP-UHFFFAOYSA-N	310.317	1.840	50	20	DDGD	
Cc1nn(C)c(C)c1C(=NNC(=O)c1cc[nH]n1)C(F)(F)F	853392693	RFTRZRUPIPDPCE-UHFFFAOYSA-N	314.271	1.456	50	20	DDGD	
COC[C@H](OC)C(=O)NNC(=O)Nc1ccc(C)cc1Cl	854379426	BEPRPTMEGXXYBT-NSHDSACASA-N	315.757	1.463	50	20	DDGD	
COc1ccc(CC(C)=NNC(=O)c2cc[nH]n2)cc1OC	853393159	WDSRPVCQGCLWTO-UHFFFAOYSA-N	302.334	1.775	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCc1nnnn1C1CC1	750663648	ORQFKNUCQQFHQC-YRNVUSSQSA-N	311.301	1.364	50	20	DDGD	
CC(C)(C)n1nnc(C=NNC(=O)c2ccc(O)c(Cl)c2)n1	853308183	ZQAWRBFISYICOJ-UHFFFAOYSA-N	322.756	1.551	50	20	DDGD	
CCC1(C(=O)NNC(=O)CSc2ccc(C)cc2)COC1	755049087	MWFPGKUSMYAMNH-UHFFFAOYSA-N	308.403	1.661	50	20	DDGD	
CCN1CCC[C@@H](NC(=O)NNc2cccc(F)c2F)C1=O	925969604	HUQMRFYRGZMHLP-LLVKDONJSA-N	312.320	1.602	50	20	DDGD	
C[C@@]1(C2CCN(/C(=C\C#N)c3ccccc3)CC2)NC(=O)NC1=O	752300766	IUPCJOIVVGHMJW-GQJZTYNYSA-N	324.384	1.861	50	20	DDGD	
C[C@]1(CNC(=O)NCC[C@H]2CCNC2)C[C@@H]1Br	857103697	MMJLAVNZDMJQTO-JFGNBEQYSA-N	304.232	1.459	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CC23CCNCC3)C[C@H]1Br	857007363	JQYCCWMFPFOPSS-HOSYDEDBSA-N	301.228	1.666	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](c2ccccc2)[C@H]1C	751500201	SYTXDMALYUOXJR-VNHYZAJKSA-N	303.406	1.810	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C[C@H]1CC1(Cl)Cl	853299900	YZGFBHOEFWEUOP-SSDOTTSWSA-N	304.133	1.305	50	20	DDGD	
C[C@]1(CNC(=O)CCCn2cccn2)C[C@@H]1Br	857404154	WSJZXIFRMQUXDE-CMPLNLGQSA-N	300.200	1.953	50	20	DDGD	
O=C(OC[C@@H](CBr)C1CC1)C1(n2cnnn2)CC1	859745304	MVGVDAOXLDPGGQ-SECBINFHSA-N	315.171	1.127	50	20	DDGD	
O=C(Cc1ccc([N+](=O)[O-])cc1)NNC(=S)NCC1CCC1	855093511	UIQFLXAAGBTHAR-UHFFFAOYSA-N	322.390	1.433	50	20	DDGD	
Cn1nncc1/C=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1	751033513	QSIWUUNUHMEWBD-WUXMJOGZSA-N	308.750	1.807	50	20	DDGD	
CC(=O)N[C@H](C(=O)NC[C@@]1(C)C[C@@H]1Br)C(C)(C)C	857386252	SEVBVUGQQJIJAZ-OPQQBVKSSA-N	319.243	1.827	50	20	DDGD	
O=C1NCCC[C@@H]1C(=O)NNc1ccc(C(F)(F)F)cc1	866873441	SGAJUJBOWFIZHT-JTQLQIEISA-N	301.268	1.675	50	20	DDGD	
COCCOCC(=O)NNC(=O)Cc1coc2ccc(C)cc12	869901356	QTPZSVOTFBKHCW-UHFFFAOYSA-N	320.345	1.094	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1ccc(O)c(F)c1	767297357	WKFBNPKJPZKESK-UHFFFAOYSA-N	322.267	1.510	50	20	DDGD	
CCOc1cccc(/C=C\C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	862094923	FPXSAFAFIQXVMD-RZYVVHCUSA-N	318.373	1.671	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1cccnc1OCC(F)F	763574204	FWGXBQAJVLATQA-UHFFFAOYSA-N	316.308	1.212	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NC[C@H](O)C1CCOCC1	768282035	USIAGJOUABFJEO-WDEREUQCSA-N	322.243	1.700	50	20	DDGD	
O=C(NNC(=O)c1ncc2n1CCCC2)c1ccc(Cl)cc1	864421427	CTYLGUQGLSSBAK-UHFFFAOYSA-N	318.764	1.948	50	20	DDGD	
Cc1cc(C(=O)NN[C@@H](C)C(F)(F)F)nc(C(F)(F)F)n1	862319121	XLVDNOSIXAPJKU-YFKPBYRVSA-N	316.205	1.989	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1C[C@H]1c1ccco1	863909431	VQOWPSOKMAWXCV-GHMZBOCLSA-N	310.350	1.320	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)c1cccc(OC(F)F)c1	865158952	RKGTZLKVLPWQBN-UHFFFAOYSA-N	316.304	1.864	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cc(Oc2ccccc2)ccn1	768243182	AVOHLRNHLVHNLL-UHFFFAOYSA-N	315.329	1.406	50	20	DDGD	
CCN1CCO[C@@H](C(=O)NNc2cccc(F)c2Cl)C1	862510227	YDEUGKXERRBTDM-LLVKDONJSA-N	301.749	1.643	50	20	DDGD	
C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NNC(=O)c1cn[nH]c1	862475057	XJLYXRTWOLWJML-JTQLQIEISA-N	314.345	1.127	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cc(C)sn2)c1O	768203308	OXUOMAKDCLKCPJ-UHFFFAOYSA-N	307.331	1.241	50	20	DDGD	
CN(CC(=O)NNc1ncnc2ccsc12)[C@@H]1CCSC1	764753267	SRQARUPBLVWTMR-SECBINFHSA-N	323.447	1.572	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(C(=O)NC)cc1OC	862612711	WOXADJMEYNKWFK-PKNBQFBNSA-N	303.318	1.437	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccnn1C1CCCC1	764471544	XEZLAYFTEYHLKL-UHFFFAOYSA-N	302.338	1.554	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H](C)CN2CCOCC2)ccc1C#N	766433123	ZDTWMPDHJHCXJV-CQSZACIVSA-N	314.389	1.285	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cnn3ncccc23)cc1	765974109	PJWQXOBKXKRJIT-UHFFFAOYSA-N	309.329	1.367	50	20	DDGD	
Cc1nnccc1C(=O)NNC(=O)CSc1ccccc1O	764048531	RYBQALAFHOSDGS-UHFFFAOYSA-N	318.358	1.044	50	20	DDGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cn(C)c(=O)n(C)c1=O	1115828546	AZVQUXOKRSFOCW-WQLSENKSSA-N	309.325	1.182	50	20	DDGD	
C=Cn1cc(C=NNC(=O)c2cc(Br)c[nH]2)cn1	773032373	JBOUGCXVZAAWGI-UHFFFAOYSA-N	308.139	1.838	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(C)n(C(C)(C)C)n1	772025629	ZBMMERMWPCZRGL-JTQLQIEISA-N	324.381	1.049	50	20	DDGD	
COCCOCC(=O)NN=Cc1cscc1Br	872400934	YQRRIHRLVXJGJN-UHFFFAOYSA-N	321.196	1.624	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)Cc1c[nH]c2cnccc12	1117788570	OSNUMVYBVPGXBC-UHFFFAOYSA-N	322.368	1.804	50	20	DDGD	
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NN=c2cc[nH]c(C)c2)C1	875352613	MFYNQCNYHXPBQN-HXZRUIPCSA-N	324.450	1.518	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@@H]1COC2(CCCCC2)O1	775741299	NPHMFSMQVVHZEK-LLVKDONJSA-N	313.398	1.439	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H]2CCC(=O)C2)c1	873756280	HRTIAISQKYPTMR-NSHDSACASA-N	305.403	1.990	50	20	DDGD	
CNC(=O)NNC(=O)c1cnc(Cc2ccccc2F)s1	772377059	WPSBRJWTBONSIB-UHFFFAOYSA-N	308.338	1.447	50	20	DDGD	
O=C(CN1CCC=C(Cl)C1)NNC(=O)c1ccc(F)cc1	878792960	XXYAIAOOICIHOM-UHFFFAOYSA-N	311.744	1.415	50	20	DDGD	
Cc1cccc(NNC(=O)NC2CCN([C@H]3CCOC3)CC2)n1	875748671	RTWKETYUPQBDNT-AWEZNQCLSA-N	319.409	1.269	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCOCC2)cc1)c1cccnn1	1119358634	DLBQBYSMYDPUQH-UHFFFAOYSA-N	311.345	1.077	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@@]1(CCO)CCOC1	773020218	XIRKSVNGXNAJRR-SKDRFNHKSA-N	308.216	1.454	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2CC[C@H]3C[C@@H](C)CN3C2)n1	1123584230	LYCXNMXEOKIGFS-HONMWMINSA-N	303.410	1.657	50	20	DDGD	
O=S(=O)(CCCCl)NCC1CCN(CC2CC2)CC1	882423086	ZTPISAYOFZDHTD-UHFFFAOYSA-N	308.875	1.657	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cc(-c2cccs2)on1	883060768	WQMYYRBHLFNACE-UHFFFAOYSA-N	321.358	1.591	50	20	DDGD	
CS(=O)(=O)CC1(CC(=O)NNc2ccc(F)c(F)c2)CC1	885113302	WLZMZVZHWZSTJI-UHFFFAOYSA-N	318.345	1.623	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2c(C)noc2C)nc1C	778425336	QOAFLMGNHCZKSY-UHFFFAOYSA-N	319.321	1.323	50	20	DDGD	
CC(C)(C[C@H]1CCCN(S(=O)(=O)CCCCl)C1)C(N)=O	882228537	ODKXCWXPIAOZRG-LLVKDONJSA-N	324.874	1.559	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccccc2)c(-c2ccoc2)n1	789867721	HQSBPVSUIXRUFR-UHFFFAOYSA-N	310.313	1.755	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cccc(OC)n2)cc1	780770395	ZTBVBTAGLVQSQX-UHFFFAOYSA-N	301.302	1.634	50	20	DDGD	
C[C@@H](OC(=O)/C(C#N)=C\c1ccccc1)C(=O)N(C)CCC#N	785343434	FVQPGWIBGVWWFD-LKKYZFDUSA-N	311.341	1.897	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CN(C)[C@@H]1CCSC1	780732723	WICCXKNAXJVGSR-LLVKDONJSA-N	323.418	1.354	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1F)[C@H]1CC(=O)N(C2CC2)C1	885150779	KIQXVJZAOJZOHA-ZETCQYMHSA-N	313.279	1.558	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	780789246	MSFHNBRSSGWFNW-KOLCDFICSA-N	306.322	1.727	50	20	DDGD	
CCOCCn1cc(C(=O)NNc2cc(F)ccc2F)cn1	885140271	TUNDJRPKSURLOO-UHFFFAOYSA-N	310.304	1.955	50	20	DDGD	
COCCn1cc(C(=O)NNc2c(F)cccc2F)c(C)n1	782752523	WKOCSBYBSPFPDX-UHFFFAOYSA-N	310.304	1.873	50	20	DDGD	
CN(CC(=O)N1CCCC1)C(=O)/C(C#N)=C/c1ccc(O)cc1	786782708	YPFYVHDGQKQOSO-GXDHUFHOSA-N	313.357	1.380	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)O[C@H](C)c2nnnn2C)cc1	787573714	AILJNROHGASYFE-ZDIKFAODSA-N	313.317	1.430	50	20	DDGD	
CCOc1ccc(C(=O)NNc2ccc(-n3ccnc3)nn2)cc1	788178594	SCTBHSCFRJJJKI-UHFFFAOYSA-N	324.344	1.818	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(C3CC3)nn2C)cc1O	899944689	TYIHZMZICVOSQM-UHFFFAOYSA-N	314.345	1.386	50	20	DDGD	
O=C(NN=C1CCOc2c1cc(F)cc2[N+](=O)[O-])C(F)F	783863406	YXWBBFVEJRPNGX-UHFFFAOYSA-N	303.196	1.602	50	20	DDGD	
O=C(NNC(=O)C(F)(F)C1(O)CCCC1)c1ccccc1F	785682371	PHWVLJWNEHFZCL-UHFFFAOYSA-N	316.279	1.527	50	20	DDGD	
CC(C)Cn1ccc(C(=O)NNC(=O)CNc2ccccc2)n1	895533773	BSWJVYCLQSWTDF-UHFFFAOYSA-N	315.377	1.412	50	20	DDGD	
CC(=NNC(=O)C1CCC1)c1ccc(N2CCNC2=O)cc1	782231913	YDWLWTQCGDSVJJ-UHFFFAOYSA-N	300.362	1.857	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cc(OC)ccn2)c1	780801170	HPFQCPROFSGGFH-UHFFFAOYSA-N	301.302	1.634	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2cnc(N)nc2)o1	781588576	VHOFZHQIKZOQFE-UHFFFAOYSA-N	316.365	1.258	50	20	DDGD	
CC(=NNC(=O)C(F)F)c1cc2c(s1)SCC(=O)N2	782233883	IVCYIKJGIZQAEE-UHFFFAOYSA-N	305.331	1.898	50	20	DDGD	
Cc1cc(OCC(=O)NNc2cccnn2)ccc1[N+](=O)[O-]	797750762	JZLVJQOVMLXREH-UHFFFAOYSA-N	303.278	1.215	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1ccc(O)cc1F	798307408	SKCXPLSPTSGRDJ-UHFFFAOYSA-N	322.267	1.510	50	20	DDGD	
COc1cncc(S(=O)(=O)NNC(=O)c2ccccc2C)c1	799120659	RAGAFBPAAVFRBU-UHFFFAOYSA-N	321.358	1.022	50	20	DDGD	
COCCOc1ccc(C=NNC(=O)N2CCN(C)CC2)cc1	790173271	GIPGHCVYEDXZOY-UHFFFAOYSA-N	320.393	1.003	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2cccc3c2CCO3)c1	797061183	OYBBJDQDBHWXCN-UHFFFAOYSA-N	312.329	1.407	50	20	DDGD	
CSCCONC(=O)NNC(=O)c1cc2ccccc2o1	792973803	IGBPGHMDYHFKEZ-UHFFFAOYSA-N	309.347	1.671	50	20	DDGD	
O=C(CCOCC(F)(F)C(F)F)NNC(=O)NCC1CC1	790514323	PKIXQOWMNSUTAI-UHFFFAOYSA-N	315.267	1.034	50	20	DDGD	
O=C1CCCN1c1ccc(CNS(=O)(=O)CCl)cc1	104334856	KHJAANGGBKUPPG-UHFFFAOYSA-N	302.783	1.429	50	20	DDGD	
C[C@@H](CC(=O)OC(C)(C)C)NC(=O)/C(C#N)=C\c1cnn(C)c1	1324356305	JRBCFCNHDNWKGX-HKMIMPICSA-N	318.377	1.564	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=Cc1ccc2c(c1)CCC2	1322604118	GSHOQEAKSWOOSL-UHFFFAOYSA-N	322.368	1.450	50	20	DDGD	
CC(=O)N1CCC(NC(=O)NNC(=O)c2cc(C)cs2)CC1	1329734802	IMVOVYHLTZDOTJ-UHFFFAOYSA-N	324.406	1.011	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2cnn(C)c2Cl)CC1	1326234222	JIUIVVKWYBBCBJ-UHFFFAOYSA-N	311.817	1.646	50	20	DDGD	
N#C/C(=C\c1cn(Cc2cccnc2)nn1)C(=O)C1CCOCC1	1321543164	XXVRNOQMVVLBAX-OVCLIPMQSA-N	323.356	1.624	50	20	DDGD	
Cn1ccc(NNC(=O)[C@@H]2CCCN(c3ccccc3)C2=O)n1	1325387748	XDDXJWLEKBKFOM-ZDUSSCGKSA-N	313.361	1.306	50	20	DDGD	
COc1ccc([C@@H](NC(C)C)C(=O)NNc2ccn(C)n2)cc1	1333775209	QCGAMDINOHQASV-OAHLLOKOSA-N	317.393	1.611	50	20	DDGD	
C[C@@]1(Cn2nnnc2N2C[C@H]3C=C[C@H]2C3)C[C@H]1Br	1334658343	QYECDTCKAUVKCE-GUDRVLHUSA-N	310.199	1.611	50	20	DDGD	
Nc1nc(Cl)ccc1C(=O)NNC(=S)NCC1CCC1	1261746164	ANFULAHCLVSAGG-UHFFFAOYSA-N	313.814	1.226	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H]2C[C@@H]2F)cc1	1350759031	NFRNCMWBAJSEEZ-ICCXJUOJSA-N	310.325	1.358	50	20	DDGD	
O=C(NNc1ccncn1)c1ccn(CCC(F)(F)F)n1	1520213798	OMANCRVIFJDZQP-UHFFFAOYSA-N	300.244	1.382	50	20	DDGD	
Cc1ncc(C(=O)NNc2ccc(C(=O)O)c(F)c2)c(C)n1	1607975875	OHWBUXOZNZRRPS-UHFFFAOYSA-N	304.281	1.688	50	20	DDGD	
Cc1ccc(CNC(=O)NNc2ccc(-c3nn[nH]n3)cn2)cc1	1605853481	PCYDSZAYGDZJNI-UHFFFAOYSA-N	324.348	1.396	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)C(C)(C)C)c(C(=O)O)c1	1600482547	GAAJBWCUXUQVEX-UHFFFAOYSA-N	314.363	1.049	50	20	DDGD	
C[C@@H]1CCN(CCNC(=O)NNc2ccc(C(=O)O)cc2F)C1	1604752479	VPMOVYNHMWXPQO-SNVBAGLBSA-N	324.356	1.492	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ccc(C(=O)O)c(F)c2)cc1	1608243711	YVNXMCVBLMXFFW-UHFFFAOYSA-N	317.276	1.380	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCC[C@@H](CC(=O)O)C2)cn1	1605491016	KOZWQXLSAZIXRZ-LEBPBNDJSA-N	302.334	1.040	50	20	DDGD	
C[C@@H](NC(=O)C(C)(C)C)C(=O)NNc1cccc(C(=O)O)c1	1609760928	KACVCSBKJUDJLW-SECBINFHSA-N	307.350	1.379	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CC1(CC(=O)O)CCCC1	1609667357	ZJGHBMGOKDFQBA-UHFFFAOYSA-N	300.355	1.968	50	20	DDGD	
CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](Cl)COC	1802272657	DJNSSWGBJFLOGT-RNJOBUHISA-N	316.829	1.679	50	20	DDGD	
C/C=C(\C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2	1801608663	HONYVDUUXDGNEI-XBKOGLAMSA-N	314.813	1.191	50	20	DDGD	
Cc1cc(C)cc(CC=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)c1	1549904960	OKAYSFIYRJNOOX-IAGOWNOFSA-N	315.417	1.811	50	20	DDGD	
C/C=C(\C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2	1800464208	PXESKPSCHJTJEH-RBNGWJLCSA-N	318.776	1.077	50	20	DDGD	
COC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(F)F)C2	1802274047	UJVDKZUWQIQPMB-UTINFBMNSA-N	324.755	1.144	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(F)c(C(=O)O)c(F)c1	1610008473	GGUZXQOFZXSHBG-UHFFFAOYSA-N	316.264	1.361	50	20	DDGD	
N#CCC(=O)N1CCC2(CCCN(C(=O)[C@@H](F)Cl)C2)CC1	1810901760	RAAMOPAMMSOTHE-GFCCVEGCSA-N	315.776	1.666	50	20	DDGD	
COCC(=O)N1CCC2(CCCN(C(=O)[C@H](F)Cl)C2)CC1	1810901933	XDDQLXBWDOSGCU-LBPRGKRZSA-N	320.792	1.398	50	20	DDGD	
C=C(CBr)CN1C[C@H](C)OC2(CCNCC2)C1	1574848754	FLGMBPOXKIAYSU-LBPRGKRZSA-N	303.244	1.780	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2CNC[C@H]2Cc2ccccc2)n1	1579770998	BFLJRXHYTYEPGP-HZPDHXFCSA-N	310.401	1.911	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)C[C@H]1NCc2ccccc21	1580557656	FVDAUXOLSNDGTF-MRXNPFEDSA-N	324.384	1.481	50	20	DDGD	
C[C@@](C#N)(CC(=O)O)C(=O)NNc1ccnc(C(F)(F)F)c1	1588541642	IGFYTYZLCIOLEX-NSHDSACASA-N	316.239	1.548	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1	1580930784	KLWWFNBXIVOGIT-UHFFFAOYSA-N	317.740	1.914	50	20	DDGD	
CC1(C)OCC(C)(C(=O)NNc2ncccc2C(=O)O)CO1	1589240075	NCQAFTXDIROOBD-UHFFFAOYSA-N	309.322	1.012	50	20	DDGD	
O=C(Cc1ccccc1C(=O)O)NNc1ncc(F)cc1F	1594709657	DVDYDPVQTNDPPV-UHFFFAOYSA-N	307.256	1.744	50	20	DDGD	
O=C(NN=Cc1cccc(-c2nn[nH]n2)c1)c1ccc(O)c(O)c1	1593154866	KLIPFZMAJRABAZ-UHFFFAOYSA-N	324.300	1.042	50	20	DDGD	
CC1=NO[C@H](CNC(=O)NNc2ccc(F)c(C(=O)O)c2)C1	1594119870	ZLPADPUWWBYNKD-VIFPVBQESA-N	310.285	1.315	50	20	DDGD	
CC(C)n1ccnc1C(=O)NNc1ccc(CC(=O)O)cc1	1592144723	PUCSELKYDUXFJY-UHFFFAOYSA-N	302.334	1.848	50	20	DDGD	
O=C(O)Cn1cc(C=NNC(=O)c2ncccn2)c2ccccc21	1776081345	KNWKCYUFPLUGKF-UHFFFAOYSA-N	323.312	1.280	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COc2ccccc2F)c1	5273041	HHAKXNVZQSAXAI-UHFFFAOYSA-N	302.305	1.974	50	20	DDGD	
Cc1nc2c(cnn2C(C)C)cc1C(=O)NNC(=O)C1CC1	12609433	LHFHJPBHIVOTHU-UHFFFAOYSA-N	301.350	1.492	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cnn(CC(F)F)c2)n1	160896699	HMLVBBNBKSDJPU-UHFFFAOYSA-N	313.268	1.095	50	20	DDGD	
CS(=O)(=O)N1CCCC[C@H]1C(=O)NNc1ccccc1F	152955697	CTYHTWQOVLNTRK-LBPRGKRZSA-N	315.370	1.083	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(C)n(CC)c1C	156118892	PFUQIKZVDOQMHA-UHFFFAOYSA-N	322.409	1.191	50	20	DDGD	
CCOC(=O)N1CCC[C@H](C(=O)NNc2ccc(C#N)cc2)C1	155205767	HLEUWGHEZNNOSA-ZDUSSCGKSA-N	316.361	1.870	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccc2ccccc12)S(C)(=O)=O	157648322	KSYIRZDGMNBSIF-JTQLQIEISA-N	320.370	1.034	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H]2[C@H]3CCO[C@@H]3C23CCC3)nc1	157654480	VZSWGFQQZGLSRE-XBFCOCLRSA-N	318.377	1.674	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCCO1	157238245	MYDWWJWSGRIAMA-UHFFFAOYSA-N	305.290	1.440	50	20	DDGD	
O=C(C[C@H]1C=CCC1)NNc1nccc(N2CCOCC2)n1	155493840	CDTBPFYILXHNHH-LBPRGKRZSA-N	303.366	1.113	50	20	DDGD	
CCC(CC)(CC)CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1	154703815	XUFBJIGCKKNBRZ-CYBMUJFWSA-N	319.471	1.584	50	20	DDGD	
CC(C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(CCl)cc1	312317529	GTSNMZLKUSEHAE-JTQLQIEISA-N	318.826	1.617	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H](C(C)C)N(C)C)c1	106425643	SUKJZESWDLXXHG-MRXNPFEDSA-N	321.421	1.416	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)c1cccnc1O	104630854	XETPZENKARIMHJ-UHFFFAOYSA-N	310.313	1.203	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)C(=O)NC(C)C)c1cccc(Cl)c1	175075827	CTUKWEVOGGOPTK-JXMROGBWSA-N	323.780	1.415	50	20	DDGD	
NC(=O)[C@H](NNC(=O)c1cccc2ncccc12)c1ccccc1	106898365	REAMNHXUZKDAOG-MRXNPFEDSA-N	320.352	1.696	50	20	DDGD	
CCN(CC)c1ccc(CNC(=O)NNc2cccnn2)cn1	172490166	PCPZEULBJTTZPP-UHFFFAOYSA-N	315.381	1.544	50	20	DDGD	
Cc1ccc(C(=O)NNc2nc3ccccc3c(=O)n2C)cn1	113187395	TYNHEAYPRBYZNE-UHFFFAOYSA-N	309.329	1.394	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)CCc2ccccc2O)[nH]1	177993976	LNNHTAWZRNXZOU-UHFFFAOYSA-N	301.346	1.731	50	20	DDGD	
C[C@H](O)c1ccc(CNC(=O)NNC(=O)c2ccc[nH]2)cc1	171062918	HDKHXASSEAKIPB-JTQLQIEISA-N	302.334	1.212	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCc1ccccc1)N1CCCC1=O	175847392	VMHYLULRCMENBU-CQSZACIVSA-N	317.389	1.168	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)COc1cc(C)cc(C)c1	66307377	XHWNPYHKLXZLAJ-CQSZACIVSA-N	320.389	1.811	50	20	DDGD	
CCc1ccc(S(=O)(=O)NNC(=O)NCc2ccco2)cc1	64939787	VYZNXDHBADMJAQ-UHFFFAOYSA-N	323.374	1.535	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNC(=O)Cc1ccc(Cl)cc1	121238783	DRZQPKUTWCYFJA-SECBINFHSA-N	312.753	1.229	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C#N)ccc1Cl	124749607	CBSLRUGHEIMEKQ-QMMMGPOBSA-N	322.752	1.344	50	20	DDGD	
O=S(=O)(CCCCCl)NCc1ccn2ccnc2c1	187508740	UKXOFTBKRFUZSO-UHFFFAOYSA-N	301.799	1.773	50	20	DDGD	
CC1=C(C(=O)NNC(=O)CNc2ccc(C)cc2)CCCO1	129438044	GTROYZWNUFABKN-UHFFFAOYSA-N	303.362	1.639	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@H]1[C@@H]2CCO[C@@H]2C12CCC2	123554884	DZZPVWPOPFAXCD-UWJYBYFXSA-N	323.784	1.714	50	20	DDGD	
CC(C)C[C@@H](C)CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	76710552	OCZCYJLZDHTZIF-CHWSQXEVSA-N	304.456	1.551	50	20	DDGD	
O=C(CO)Nc1cccc(NS(=O)(=O)CCCCCl)c1	187579399	INNLJERHBYSGEO-UHFFFAOYSA-N	320.798	1.378	50	20	DDGD	
CN(NC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1)C(N)=O	181058214	CARIQHBIMCXVAO-CYBMUJFWSA-N	308.357	1.222	50	20	DDGD	
CCOC(=O)CN(C(=O)/C(C#N)=C\c1ccc(O)cc1)C1CC1	188278757	KWXCNAGZUFBTOV-LCYFTJDESA-N	314.341	1.853	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@@H](OC)C(C)C)cc1	74933690	JQYHDDOAWKUPIX-CQSZACIVSA-N	307.394	1.864	50	20	DDGD	
CCCC(=O)N1CCC[C@@H](C(=O)NNc2ccnc(F)c2)C1	182519769	JQOHELCENHGVTE-LLVKDONJSA-N	308.357	1.703	50	20	DDGD	
Cn1nccc1NC(=O)NNC(=O)c1cccc2ncccc12	124625541	VMFJQIAGOBHEBV-UHFFFAOYSA-N	310.317	1.435	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cccc(OCC(F)F)n2)n1	132323575	NQTMDXFXKVYSLK-UHFFFAOYSA-N	323.303	1.889	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H]1CCCN(CC(F)(F)F)C1	194163927	NAAYEUAMLYCNLU-SECBINFHSA-N	309.332	1.454	50	20	DDGD	
O=C(CNC(=O)c1ccccc1)NNC(=O)CC1CCCC1	195217086	RJJDTQPJOYVFCQ-UHFFFAOYSA-N	303.362	1.144	50	20	DDGD	
Cc1nn(C)c(C)c1CC(=O)NNc1ccccc1[N+](=O)[O-]	42065017	OCKKTKGLWFTBOT-UHFFFAOYSA-N	303.322	1.631	50	20	DDGD	
O=C(NCc1ccc(F)cc1)C(=O)NNc1ccncc1Cl	135882182	CTBCQWYEUQTIMJ-UHFFFAOYSA-N	322.727	1.634	50	20	DDGD	
C=CCNC(=O)NNC(=O)c1ccc(OCCC)c(OC)c1	42925948	CCTRDOMBQMLVLY-UHFFFAOYSA-N	307.350	1.614	50	20	DDGD	
O=C(NCCN1CCc2ccccc2C1)NNc1ncccn1	46281750	LGLPEIJGGBLXLX-UHFFFAOYSA-N	312.377	1.161	50	20	DDGD	
COc1nccnc1NNC(=O)COc1ccc(C)c(C)c1	131812582	SYIWUVTUSRVTEF-UHFFFAOYSA-N	302.334	1.624	50	20	DDGD	
Cn1nccc1C(=O)NNC(=O)Cc1ccc2ccccc2c1	132671780	LAHKPTFMUQDNRA-UHFFFAOYSA-N	308.341	1.577	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCC1(c2ccccc2)CC1	83159383	AIAWOCINNRZNPH-UHFFFAOYSA-N	324.384	1.686	50	20	DDGD	
COC(=O)[C@H](NNC(=O)CC(C)(C)C)c1cccc(C#N)c1	83031274	YFNZDFVTEPCMQG-CQSZACIVSA-N	303.362	1.829	50	20	DDGD	
O=S(=O)(c1ccc(CCCCl)cc1)N1CCCNCC1	237801243	VVZNNERNBOORSP-UHFFFAOYSA-N	316.854	1.842	50	20	DDGD	
COc1cc(F)cc(CNC(=O)NNC(=O)c2ccccc2)c1	94017213	HATFTJFNVUKMNO-UHFFFAOYSA-N	317.320	1.979	50	20	DDGD	
C=CCOc1ccccc1CNC(=O)NNC(=O)C1CCC1	264719314	FRONRUCRIFSAFU-UHFFFAOYSA-N	303.362	1.882	50	20	DDGD	
CCC[C@H](O)CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	268621034	PYYJPVJOWPWYIZ-NNSJBKGDSA-N	300.362	1.389	50	20	DDGD	
CN(NC(=O)NCCNC(=O)OC(C)(C)C)c1ccccc1	263870048	MBFWMNNXYCSDQB-UHFFFAOYSA-N	308.382	1.862	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CSC[C@H]1C(=O)N[C@@H](C)CC	269499815	WNSNNZVQXYYIBK-ASLGPSORSA-N	311.407	1.247	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1O	272150231	CIBDERXHBGMBOZ-SECBINFHSA-N	314.769	1.869	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNC(=O)N1CCN(C)CC1	365975876	AJSPNDYOYXVTKO-NEPJUHHUSA-N	322.434	1.148	50	20	DDGD	
O=C1CCC[C@H](C(=O)NNc2cccc(Br)c2)N1	270594395	YQLBYXLGOPGGLQ-SNVBAGLBSA-N	312.167	1.561	50	20	DDGD	
CSCC[C@H](O)C(=O)NNc1ccc(C(F)(F)F)cn1	274730137	ICWLHJZFJJMYPR-QMMMGPOBSA-N	309.313	1.658	50	20	DDGD	
CCC[C@@H]1C[C@H](C(=O)NNC(=O)c2cccc(C)n2)CCO1	279879131	XBCGFYCKDNLJHN-CHWSQXEVSA-N	305.378	1.746	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CC(=O)N(CC2CC2)C1	279505549	PRMHQEXYUUHLIE-VGOFMYFVSA-N	313.332	1.771	50	20	DDGD	
C[C@@H](NC(=O)NNc1cc(Cl)ccn1)c1nnc2n1CCC2	272432894	OFGDGNXHVCZEDP-MRVPVSSYSA-N	321.772	1.660	50	20	DDGD	
C[C@@H]1C[C@H](CCNC(=O)NNC(=O)c2ccccc2F)CCO1	273141452	VRRBKRKJWKXLIA-VXGBXAGGSA-N	323.368	1.975	50	20	DDGD	
COC(=O)N(C)CC(=O)NNc1ncc(Cl)cc1Cl	274736803	KDXTYBAHXOPBJH-UHFFFAOYSA-N	307.137	1.530	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNc1ccc([N+](=O)[O-])cc1C	288844535	WMTYQLNRQKTOAG-UHFFFAOYSA-N	322.365	1.995	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H](C)N1CCSCC1	288744462	PVLAVHKIBJEMPN-LLVKDONJSA-N	324.406	1.784	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)C[C@@H]2CCC(=O)[C@@H]2C)n1	281605446	YQIVNBGFJNFROA-NEPJUHHUSA-N	319.409	1.771	50	20	DDGD	
Cn1cc(-c2cncc(C(=O)NNc3cccc(F)n3)c2)cn1	376210205	YFUOMOGPQQNHGY-UHFFFAOYSA-N	312.308	1.773	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NC[C@@H]2CCSC2)cc1	280219589	WVCQCJCMYIITFO-NSHDSACASA-N	304.375	1.255	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C(C)(C)C)n1ccc2ccccc2c1=O	287056447	DYFXBZYTMVWVQV-NSHDSACASA-N	315.373	1.756	50	20	DDGD	
Cc1nnc(COCC(=O)NNC(=O)c2ccccc2C)s1	285070664	RKWUGTHCHWFRFN-UHFFFAOYSA-N	320.374	1.133	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Nc1cc(C)ccn1	284792957	WGOQZYUUGHEKMJ-UHFFFAOYSA-N	310.354	1.332	50	20	DDGD	
COc1ccc(C(=O)CCCC(=O)NNc2nnc[nH]2)cc1	298560539	ZICWCYZGKGDLKH-UHFFFAOYSA-N	303.322	1.310	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cnn3c2CCC3)c1	296840707	SUJOTCDMQQCEJI-UHFFFAOYSA-N	300.318	1.373	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cc(O)nc2ccc(F)cc12	294125422	KTYISFMGFGJREP-UHFFFAOYSA-N	303.293	1.641	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccccc1	801618398	SQAKIPVFGUIHAG-UHFFFAOYSA-N	317.305	1.057	50	20	DDGD	
Cc1ccc2snc(C(=O)NNC(=O)[C@@H]3CC[C@H](C)O3)c2c1	293783826	BRIYJCULIAGZQU-ONGXEEELSA-N	319.386	1.933	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@@H](C)CN(C)C	293776333	NWNXZWYXNDGZAN-SNVBAGLBSA-N	300.834	1.666	50	20	DDGD	
O=C(NNc1cnccn1)C(=O)Nc1cccc(C2CCC2)c1	291681937	HJDOYTHVTKTUKV-UHFFFAOYSA-N	311.345	1.826	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2nc(C)oc2C)nc1C	293389697	FRUKVJCCEMTKBY-UHFFFAOYSA-N	319.321	1.323	50	20	DDGD	
CC(C)Oc1cccc(CC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	294288583	QCVNOTBXPKELHU-WFASDCNBSA-N	320.389	1.731	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1cncc(-n2ccnn2)c1	802556487	AWVIATMNMPAJIV-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
NC(=O)N[C@@H](CC(=O)NNc1ncccc1F)c1ccccc1	804213389	NHQSHLOMLZUMGZ-LBPRGKRZSA-N	317.324	1.464	50	20	DDGD	
CCCCN(C)C[C@@H](C)NC(=O)NNC(=O)c1ccccc1O	291708007	OFNNOPFVXKRSJY-GFCCVEGCSA-N	322.409	1.457	50	20	DDGD	
CC(C)(C)Sc1cc(C(=O)NNC(=O)[C@@H]2CCCO2)ccn1	294007335	MOJXWAVUHKBFJX-NSHDSACASA-N	323.418	1.912	50	20	DDGD	
Cc1nccc(CCC(=O)NNc2nccnc2C(C)C)n1	816504367	KFKSCNNEYDZWBU-UHFFFAOYSA-N	300.366	1.774	50	20	DDGD	
N#Cc1ccsc1NC(=O)C(=O)NNc1cccnc1Cl	815600743	DJBZNXVZJRCLAR-UHFFFAOYSA-N	321.749	1.750	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2ccc(O)nn2)cc1C	812716631	OOBRAYRQFCNDLR-UHFFFAOYSA-N	316.317	1.424	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCC1CC1)c1ccc2c(c1)OCO2	814626398	LZQYWYBNAJTELK-UHFFFAOYSA-N	319.361	1.433	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1ccc([S@@](C)=O)cc1	814956433	XJPRPBMYXNJGJR-OAQYLSRUSA-N	304.375	1.230	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ncn(C(C)(C)C)n2)o1	812488532	BOVGHVXZXZAKGN-UHFFFAOYSA-N	317.353	1.773	50	20	DDGD	
Cc1cc2c(cc1C)C(=NNC(=O)N1CCN(C)CC1)CO2	814913471	NKBBFGZUTFNNEY-UHFFFAOYSA-N	302.378	1.357	50	20	DDGD	
O=C(NN=Cc1nccs1)c1nn(-c2ccccc2)cc1O	814757666	MJBXTTLCKWGUGY-UHFFFAOYSA-N	313.342	1.798	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2cc(Cl)ccc2O)on1	814776571	BURPMGJPILNSRY-UHFFFAOYSA-N	323.692	1.584	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H]2CCCN(C(N)=O)C2)cc1	817896059	NVHFVDKZFPQHLP-LLVKDONJSA-N	306.366	1.319	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNC(=O)NC(C)C)(CC1)CC2	814653347	UXMALLCUEDQQAD-UHFFFAOYSA-N	311.382	1.239	50	20	DDGD	
O=C(NN=Cc1c[nH]c(C(=O)O)c1)Nc1ccc(C(=O)O)cc1	814859686	WDTAEJQXHFHXHW-UHFFFAOYSA-N	316.273	1.567	50	20	DDGD	
COC1([C@@H](C)NS(=O)(=O)CCCCCl)CCOCC1	817154333	OOUIOPVGSZJOQU-LLVKDONJSA-N	313.847	1.509	50	20	DDGD	
Cc1cc2c(cc1C)[C@H](C(=O)NNc1ncncc1F)CO2	817080898	JPUDICZAKFYHGW-LLVKDONJSA-N	302.309	1.852	50	20	DDGD	
C[C@@H]1CCC[C@@H](NCC(=O)NNC(=O)c2cccs2)[C@@H]1C	727105521	SREPRDHHGQWYFX-IJLUTSLNSA-N	309.435	1.923	50	20	DDGD	
O=C(/C=C/[C@@H]1CCOC1)NNC(=O)CCOc1ccccc1	492954885	IRTSETSVMSJBEN-KTRBRXNASA-N	304.346	1.196	50	20	DDGD	
O=C1CCCc2cc(S(=O)(=O)NNC(=O)C3CCC3)ccc21	829847734	KZBVJJAHVHHJOZ-UHFFFAOYSA-N	322.386	1.315	50	20	DDGD	
CO[C@H](C)CNC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	821723124	QSHPRBUDLXYYGY-DGCLKSJQSA-N	323.393	1.436	50	20	DDGD	
CCCN(NC(=O)C1(C(=O)OC)CC1)C(=O)OC(C)(C)C	495694824	HGYOFYVMHKPSFV-UHFFFAOYSA-N	300.355	1.618	50	20	DDGD	
CSC(C)(C)C(=O)NNC(=O)Cn1ccc2ccccc21	826577801	KJPYZPYMBIWGMI-UHFFFAOYSA-N	305.403	1.930	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)ccc1F	825547475	NDRGXKYLTGZQCW-ZYHUDNBSSA-N	309.341	1.390	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(F)c(C(F)(F)F)c(F)c1	823927925	IXOXQRGLSVEYSZ-LURJTMIESA-N	312.238	1.941	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1cc(C(N)=O)ccc1CN(C)C	490755435	VBKYPSDFGGOTLR-RAXLEYEMSA-N	316.361	1.230	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	822205181	NXOOMWARGZYUHJ-LOWVWBTDSA-N	322.336	1.332	50	20	DDGD	
CC(C)[C@@H](NCc1ccccc1B(O)O)c1nc2ccccc2[nH]1	585032908	QHZXNXCBZORXHT-QGZVFWFLSA-N	323.205	1.730	50	20	DDGD	
Cc1ncsc1CN(C)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	827301029	VNPKTWDMMZYQHL-NXEZZACHSA-N	312.395	1.049	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@H]2[C@H](CCN2C)C1	827317878	CSWWXQFVIPVCSH-KGLIPLIRSA-N	324.856	1.905	50	20	DDGD	
Cn1c(=NNC(=O)[C@H]2CC23CCNCC3)sc2ccccc21	826619259	YHINASPJBVXFKV-LLVKDONJSA-N	316.430	1.561	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C(C)(C)C)N(C)C(=O)OC(C)(C)C	496872765	FOLVTJOXAMDIDG-VIFPVBQESA-N	301.387	1.435	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cccc2nccn12	826449067	ZWJXDSITDNMCBG-UHFFFAOYSA-N	320.316	1.271	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(NC(=O)C(C)(C)C)nc1	823918344	VLYHZXKXXRGQBS-JTQLQIEISA-N	308.382	1.024	50	20	DDGD	
CO[C@@H]1C[C@@H](NC(=O)/C(C#N)=C/c2cnn(C)c2)C12CCC2	491088145	YRXGHIXJVYGZIA-BARLUBHISA-N	300.362	1.401	50	20	DDGD	
CC[C@@H](CNC(=O)c1ccc(B(O)O)cc1)CC(F)(F)F	585002010	KJARDQLCRFQVKO-SECBINFHSA-N	303.089	1.075	50	20	DDGD	
CCCCc1ccc(N(C)C(=O)c2cccc(B(O)O)c2)cc1	584956471	ACJRBDHTHCFTJY-UHFFFAOYSA-N	311.190	1.986	50	20	DDGD	
CC(C)C[C@@H](C)OCCc1nc(-c2cccc(B(O)O)c2)no1	585054437	VIGIYLINXGZERH-GFCCVEGCSA-N	318.182	1.410	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NN=Cc1cccc(C#N)n1	495939980	FQHPJGIAMDDAMY-UHFFFAOYSA-N	317.349	1.318	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1	824869134	YNZFNESYYVMWRQ-RNCFNFMXSA-N	314.349	1.315	50	20	DDGD	
O=C(NC[C@@H]1CCC[C@@H]1C1CC1)c1cc(B(O)O)ccc1F	585001874	GKVIWKULEUZGCS-WCQYABFASA-N	305.158	1.062	50	20	DDGD	
C[C@@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)[C@@H]2CCCC[C@H]12	584972816	HOMJQGIPXFLAIM-IXPVHAAZSA-N	305.158	1.156	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2ccc(C(N)=O)cc2)ccn1	731561777	WHZPLJJRXOFYJL-UHFFFAOYSA-N	311.345	1.010	50	20	DDGD	
CCC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1nccn1C	825029149	NQBDKBMRFDUVEE-UHFFFAOYSA-N	324.348	1.144	50	20	DDGD	
C=C(CI)n1cc(C[C@@H](O)C(C)C)nn1	900641671	YXBFQEOXPRGGDX-SNVBAGLBSA-N	321.162	1.743	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1c(F)cccc1Cl	731284430	SHFYOJQSEFPPCY-UHFFFAOYSA-N	303.721	1.346	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCC[C@@H]2Oc2ccccc2)o1	585023166	HOKUVHJHNZODSN-GJZGRUSLSA-N	301.151	1.049	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNC(=O)c1ccc(C)cc1O	839551990	XORYRUIUZAWLGY-SNVBAGLBSA-N	308.334	1.051	50	20	DDGD	
O=C(NNc1cccc(F)c1F)NC1CCN(C(=O)O)CC1	831742517	ITWAPPKNGXPURM-UHFFFAOYSA-N	314.292	1.733	50	20	DDGD	
CN(C)c1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)c2cccnc2)cc1	730515385	WBGXGVGTXKTYSU-JKSUJKDBSA-N	324.384	1.712	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC[C@H]2CCC=CO2)cc1F	838568220	WJAWRGRTJSAETJ-LLVKDONJSA-N	323.324	1.931	50	20	DDGD	
O=C(NC[C@H]1CCCSC1)NNC(=O)[C@@H]1CCCCO1	836460695	YQOSPBZRULXPDD-MNOVXSKESA-N	301.412	1.029	50	20	DDGD	
C[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)[C@H]2CCCC[C@@H]12	584972764	GUGSFLWEIXCJQP-GMXABZIVSA-N	305.158	1.156	50	20	DDGD	
N=C(O)OCc1cn([C@@]2(Cl)C[C@@H]2CCBr)nn1	900570169	WAFUYOADQRAOEV-RCOVLWMOSA-N	323.578	1.984	50	20	DDGD	
C=COc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)CC)cc1	839512499	MJRVZUVQOVBYQS-SNVBAGLBSA-N	305.334	1.341	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1cccc(N(C)C)c1)C1CCOCC1	834923866	FIDXNJSBFCCEFZ-INIZCTEOSA-N	319.405	1.910	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)c1cncc(F)c1	737435761	YUAFHWVGJGSZMG-UHFFFAOYSA-N	320.349	1.552	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCc2ccn(C)n2)cc1F	837053073	KCRXIXJVMIDWSJ-UHFFFAOYSA-N	320.324	1.422	50	20	DDGD	
CC(C)(C)CC(=O)NCC(=O)NNc1cccc(C(=O)O)c1	833422401	GDLICMVROQROBL-UHFFFAOYSA-N	307.350	1.380	50	20	DDGD	
C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NN(C)C(N)=O	839717669	OVZCFSLPUSBJFE-MRVPVSSYSA-N	319.283	1.806	50	20	DDGD	
O=C(NN=Cc1cccc(F)c1)c1cccc(-c2nn[nH]n2)c1	738129146	PEHBJIHUXUEOGL-UHFFFAOYSA-N	310.292	1.770	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=Cc1ccc(CO)o1	739399259	BNDFPYYQLPUVRZ-UHFFFAOYSA-N	312.329	1.580	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)[C@H]1CCC[C@@H](C(=O)O)C1	833010844	XKTURWDUKNVBNS-DTWKUNHWSA-N	311.363	1.104	50	20	DDGD	
O=C(c1ccnc(Oc2ccccc2)c1)N1CC[C@H](B(O)O)C1	585070379	WEULINQVGPQISW-ZDUSSCGKSA-N	312.134	1.563	50	20	DDGD	
CCC1(CNC(=O)NNc2cccc([N+](=O)[O-])c2C)COC1	838699049	ZKAOUMZMRGEUKE-UHFFFAOYSA-N	308.338	1.956	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2csc(N3CCOCC3)n2)[C@H](C)O1	834929080	WOOZDEUGLVUEDI-UWVGGRQHSA-N	324.406	1.263	50	20	DDGD	
COCCOC[C@@H](C)NS(=O)(=O)c1ccc(CCl)cc1	914190094	ITLVZELMFBGMIK-LLVKDONJSA-N	321.826	1.755	50	20	DDGD	
COc1ccc(CCNC(=O)NNc2cccnn2)c(OC)c1	736378775	CGLPRPDJBNFPFU-UHFFFAOYSA-N	317.349	1.363	50	20	DDGD	
O=C(COc1ccc(F)cc1F)NNC(=O)[C@H]1CCCCO1	833257608	XGMXTUVZBRTZFV-GFCCVEGCSA-N	314.288	1.060	50	20	DDGD	
CC[S@@](=O)c1ccccc1C(=O)NNc1nccc(OC)n1	914762869	VJSMIDNPMXMEOS-JOCHJYFZSA-N	320.374	1.370	50	20	DDGD	
CCN1CCC(=NNC(=O)C(=O)Nc2ccc(C)cc2)[C@H](C)C1	741462845	WVKNWCZCMZECPH-CYBMUJFWSA-N	316.405	1.767	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1c(C)noc1C(F)(F)F	746166158	XUYDPLJOLFUCGA-UHFFFAOYSA-N	308.260	1.746	50	20	DDGD	
C#CCN1C(=O)C(=NNC(C)=O)c2cc(Br)ccc21	747040519	OKAVPXZCOXZLOW-UHFFFAOYSA-N	320.146	1.269	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)Cc2ccc3ccccc3c2)C1	844131536	QGOHWLOWGZBNSH-OAHLLOKOSA-N	310.353	1.899	50	20	DDGD	
CO[C@]1(C=NNC(=O)Nc2ccc(N(C)C)cc2)CCOC1	841626714	VREQFWMRDCBCRX-HNNXBMFYSA-N	306.366	1.665	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(C(C)C)n1	843650641	FTYXNYJRQJCOEX-GXSJLCMTSA-N	306.366	1.094	50	20	DDGD	
Cn1ccnc(NNC(=O)[C@H]2CSc3ccccc32)c1=O	747945526	KOWCACKRGBENQH-JTQLQIEISA-N	302.359	1.113	50	20	DDGD	
C[C@H](CN1CCCCCC1)C(=O)NN=C1CN2CCC1CC2	915050032	ZMIRBUJQVFFPDE-CQSZACIVSA-N	306.454	1.696	50	20	DDGD	
Cc1ccc(OCCCC(=O)NNC(=O)c2ncccn2)cc1	841351202	PLACRODHBOLYMZ-UHFFFAOYSA-N	314.345	1.405	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c2n[nH]cc2c1	843974959	PUDOLDLMDDKJDU-KOLCDFICSA-N	302.334	1.057	50	20	DDGD	
CCC(=NNC(=O)c1ccc(-n2cnnn2)cc1)[C@@H]1CCOC1	741838111	PMGSOCFVKQLMSA-GFCCVEGCSA-N	314.349	1.195	50	20	DDGD	
CCC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)[C@@H]1CCOC1	741838212	QPGGTKXRPLTHIO-SECBINFHSA-N	306.322	1.709	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)C1(c2cccc(Cl)c2)CC(=O)C1	910148301	SFHFZJJNPSXKEP-SNVBAGLBSA-N	310.781	1.285	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)N[C@@H](C)CN)c1	841981915	HIDBVPRSETXJJB-ZETCQYMHSA-N	315.761	1.032	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NC[C@@H]1CCCN1)c1ccccc1	841936427	ILOQDBDXSNDAGK-ZDUSSCGKSA-N	304.394	1.047	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCC[C@H](C)[C@H]2C)cc1	741790118	CMRMNSLHLFBXFE-UONOGXRCSA-N	303.406	1.876	50	20	DDGD	
O=C(Cn1nnc(-c2ccccc2)n1)NN=C1CCC[C@@H]2C[C@H]12	841605083	ONEHLWUCLWTANC-OLZOCXBDSA-N	310.361	1.632	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@@H](C)c1csnn1	840459682	HRBZHWUPVNIKEY-JTQLQIEISA-N	319.390	1.481	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)COc1ccc(C#N)cc1	749758233	QQSVTBIMJFAPGW-JTQLQIEISA-N	306.391	1.231	50	20	DDGD	
CCn1ncc(C=NNC(=O)[C@H](C)Oc2ccccc2F)n1	841611777	AUQACAZRUQBXJH-JTQLQIEISA-N	305.313	1.355	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cccc(OCC(=O)O)c1	842558631	YFHFBFXDTRMLEX-GWCFXTLKSA-N	306.318	1.025	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H]2CCN(C)[C@@H]2C)cc1	846377649	YPOMTTCRXAQWAY-BXUZGUMPSA-N	305.378	1.185	50	20	DDGD	
CO[C@@H](C=NNC(=O)NCCc1cccs1)[C@H]1CCOC1	841621603	KHANMQJEZAITDX-AAEUAGOBSA-N	311.407	1.627	50	20	DDGD	
CON(C)C(=O)CNC(=O)NNc1cc(Cl)ccc1C	922933680	DNTRUWQTZQMQOV-UHFFFAOYSA-N	300.746	1.294	50	20	DDGD	
CO[C@H](C(=O)NNc1ncc(Br)cn1)C(C)C	848322072	PMMZQHPHJQXIJF-QMMMGPOBSA-N	303.160	1.353	50	20	DDGD	
O=C(NCCO[C@@H]1CCOC1)NNc1cccc(F)c1F	927520703	ZKUYLQIMNUQTOH-SECBINFHSA-N	301.293	1.396	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)OCC(F)(F)F)n(C)c1	856025738	XVRVIQJCCAAHRT-UHFFFAOYSA-N	307.228	1.161	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCCc2cccs2)c(C)[nH]1	920859315	CGKVEEFTNMBHGH-UHFFFAOYSA-N	306.391	1.880	50	20	DDGD	
Cc1ccccc1[C@H](CO)NC(=O)NNC(=O)C1CCCC1	753337952	AGVJWSPCJRMFAC-AWEZNQCLSA-N	305.378	1.549	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1ccnn1CC1CC1	853328785	OVIDZEKUUPVNLJ-UHFFFAOYSA-N	321.381	1.268	50	20	DDGD	
O=C(NN=C1CCN(CCC(F)(F)F)CC1)c1cc[nH]n1	853392940	WVQVDSROQVQNOE-UHFFFAOYSA-N	303.288	1.544	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@]2(C)C[C@@H]2Br)nn1	856899382	NVGSGDLXWNYYPF-KWQFWETISA-N	314.187	1.585	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)C2(N(C)C)CC2)cc1	854231663	IVSDPHMBUWYUGC-UHFFFAOYSA-N	307.419	1.329	50	20	DDGD	
COc1ccc(C2(C(=O)NNC(=O)c3ccc[nH]3)CCC2)cc1	750717954	IDJMUHIBGHLJMA-UHFFFAOYSA-N	313.357	1.906	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NCCOC(C)C	758718263	NGPGKXQRTNOWBU-UHFFFAOYSA-N	323.393	1.383	50	20	DDGD	
CCNC(=O)NNC(=O)[C@](C)(O)c1cccc(C(F)(F)F)c1	754845051	FDYPDRQOPGSQKI-GFCCVEGCSA-N	319.283	1.263	50	20	DDGD	
CC(C)[C@](C)(O)CNC(=O)NC[C@@]1(C)C[C@H]1Br	856956645	SJARWZBUIWAAOR-YUSALJHKSA-N	307.232	1.866	50	20	DDGD	
COc1cc(Cl)cc(C=NNC(=O)C(=O)NC(C)C)c1O	758870084	MTKFVYUCNZPJNI-UHFFFAOYSA-N	313.741	1.029	50	20	DDGD	
Cc1[nH]nc(C(F)(F)F)c1C(=O)NNC(=O)CC(F)(F)F	855000075	AVBQSZHCHUYQQZ-UHFFFAOYSA-N	318.177	1.450	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)C(=O)N2CCCC2)C[C@H]1C	758115489	FEJMODKMRKMCNW-DGCLKSJQSA-N	323.393	1.080	50	20	DDGD	
CCOC1(C(=O)NNc2ncc(Cl)cn2)CCOCC1	857729943	JDMUBZIAPONSMC-UHFFFAOYSA-N	300.746	1.159	50	20	DDGD	
Cn1ncc2cc(C(=O)NNc3ncccc3[N+](=O)[O-])cnc21	759285115	GTUVMPWAZBMLAL-UHFFFAOYSA-N	313.277	1.028	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)COc1cc(C)cc(C)c1	755035704	DUAHSDCFYSOVIY-CYBMUJFWSA-N	308.378	1.502	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21	854479468	UJNPSOANQWJZBQ-OPRDCNLKSA-N	307.221	1.943	50	20	DDGD	
CC(C)C(=O)NN=Cc1cc(O)cc(Br)c1O	755542961	OWWMMBZWOZNKRE-UHFFFAOYSA-N	301.140	1.966	50	20	DDGD	
CC(=O)Nc1cccc(NC(=O)NNC(=O)c2ccccn2)c1	755495585	SJRHAPLTVYFJMZ-UHFFFAOYSA-N	313.317	1.507	50	20	DDGD	
CCOC(=O)NNC(=O)c1cccc(OCCCOC)c1C	929188793	JTHWHIRAUGZRDY-UHFFFAOYSA-N	310.350	1.801	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NC[C@H]1CSCCS1	756056186	XGDSCAWUNOPRFF-LURJTMIESA-N	317.358	1.118	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2CCCc3nn[nH]c32)C[C@H]1Br	857734881	WMDBYSFVOKOSSG-LPBBDHJYSA-N	313.199	1.514	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@H]1c1cccc(F)c1)c1cn[nH]c1	858704265	OOLSRYAMGGLJKV-ZDUSSCGKSA-N	317.324	1.740	50	20	DDGD	
Cc1ccn2ncc(C(=O)NNC(=O)OCC(F)(F)F)c2c1	856021917	MUNXMPJLWHZSPF-UHFFFAOYSA-N	316.239	1.576	50	20	DDGD	
CN1CCC[C@@H]1CNC(=O)NNC(=O)CCc1ccccc1	750326290	DTBJYWXWBYCHIB-CQSZACIVSA-N	304.394	1.044	50	20	DDGD	
CC1CCN(C[C@H](C)NC(=O)/C(C#N)=C\c2cnn(C)c2)CC1	855899907	XFQGDEBVPONUGZ-XTIFCCNPSA-N	315.421	1.564	50	20	DDGD	
CC1CC(C#N)(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)C1	758229017	TYTQEKCQQUZBRZ-UHFFFAOYSA-N	323.356	1.573	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)C1(C(=O)NC2CC2)CC1	855620625	BDDPSBKVOLLYKQ-UHFFFAOYSA-N	322.296	1.236	50	20	DDGD	
C[C@]1(CN[C@H](C(N)=O)c2ccc(C#N)cc2)C[C@H]1Br	857247147	PJWJNBDQVMXRFJ-MBNYWOFBSA-N	322.206	1.848	50	20	DDGD	
Cc1ccc(F)c(CC(=O)NNc2cc(Cl)nc(N)n2)c1	857485682	ACTAWANIRPRZCV-UHFFFAOYSA-N	309.732	1.846	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccc(OC(F)(F)F)cc2)c1N	758344586	JRKBNJVKYPVGCL-UHFFFAOYSA-N	315.255	1.658	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc2c(c1)oc(=O)n2C	756630572	FBBSNKFMZORSAS-WQLSENKSSA-N	315.329	1.191	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(Br)ccc1C	854924379	IMZHWUSDUKPBND-UHFFFAOYSA-N	316.224	1.838	50	20	DDGD	
CNC(=S)N(C)NC(=O)CSc1ccccc1Cl	854929674	OJKYYLLSBHJRDP-UHFFFAOYSA-N	303.840	1.899	50	20	DDGD	
CC(C)OCCONC(=O)NC[C@]1(C)C[C@@H]1Br	856860930	YRRMYBZBUDDEJI-ONGXEEELSA-N	309.204	1.816	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1csc2cc(C)ccc12	869906958	XPKMJUHJRLFCEE-UHFFFAOYSA-N	322.386	1.634	50	20	DDGD	
COc1ccc(C=O)cc1C(=O)NNC(=O)CC(F)(F)F	869017276	ASFIHIJXJDGANK-UHFFFAOYSA-N	304.224	1.221	50	20	DDGD	
Cc1cc(C(=O)NNc2ncnc3ccsc23)c(C)nn1	767730836	CUQWYEJUNKFCQC-UHFFFAOYSA-N	300.347	1.855	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@H]2C[C@@]23CCOC3)cc1	763727332	CETBHDAVEGBPSJ-CZUORRHYSA-N	320.414	1.661	50	20	DDGD	
CC(Cc1ccncc1)=NNC(=O)[C@@H]1COc2ccccc2O1	767747582	YHRXVBZNCSDPMA-INIZCTEOSA-N	311.341	1.956	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCC(c3ncco3)CC2)cn1	862107916	SBHJMTLDTKAIFT-ZSOIEALJSA-N	311.345	1.721	50	20	DDGD	
CCNC(=O)NNC(=O)c1c(C(F)F)nc2n1CCCC2	865016050	UIFIEZUCOSBELA-UHFFFAOYSA-N	301.297	1.121	50	20	DDGD	
O=C(NNC(=O)C1CSC1)c1cccc(Br)c1	866128021	SBHHMSGCHAFDSP-UHFFFAOYSA-N	315.192	1.573	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1csc(NC2CC2)n1	769193422	IVNRUEPCJIMMEU-UHFFFAOYSA-N	309.782	1.945	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccccc1CC#N)C1CC1	869219163	UWURDDGUHJGCJK-SNVBAGLBSA-N	302.403	1.660	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)C1CC1	862150668	XACGAHLDXZIPFQ-WHLNNUNGSA-N	315.442	1.866	50	20	DDGD	
CC(C)C(=O)N1CCCC[C@H]1C(=O)NN[C@@H](C)C(F)(F)F	862308615	BYSGDBYHNVICDH-UWVGGRQHSA-N	309.332	1.595	50	20	DDGD	
COc1cc(O)c(C=NNC(=O)c2ccncc2)cc1OC	768354240	YFPDZLPFIDRUCG-UHFFFAOYSA-N	301.302	1.568	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CC(F)(F)C(F)(F)F	869068851	WHBROXLEGNCUSD-WDSKDSINSA-N	304.215	1.147	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCSC2)cc1OC	761784440	WNMXDZUGDPBCLP-JTQLQIEISA-N	310.375	1.218	50	20	DDGD	
COCCOC[C@@H](C)NC(=O)[C@H](Br)C(C)(C)C	768188942	WFHMBZRYOAHIEK-ZJUUUORDSA-N	310.232	1.964	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2cc(C)ccc2C)n(C)n1	866872079	GNZUVUKLOSONDT-UHFFFAOYSA-N	302.334	1.580	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H]2[C@H](C)O[C@H](C)[C@@H]2C)cc1	862123712	UYJBQBUBKOTGGU-BUWBCJGYSA-N	320.389	1.905	50	20	DDGD	
COCCOCC(=O)NNC(=O)C[C@@H](C)c1ccccc1C	869909857	KVLUDEMUYGXPFY-CYBMUJFWSA-N	308.378	1.299	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)c1cccc2ccsc12	767244917	HRBVHRWYTMSYEH-UHFFFAOYSA-N	305.359	1.187	50	20	DDGD	
CC(C)n1ccc(C(=O)NNC(=S)Nc2ccccn2)n1	768578879	VBCRCZNXWBUBDQ-UHFFFAOYSA-N	304.379	1.490	50	20	DDGD	
C[C@@H](C#N)C(=O)NNc1c(F)cc(C(=O)NC2CC2)cc1F	764329616	ZBOCXIAOCITXSL-ZETCQYMHSA-N	308.288	1.460	50	20	DDGD	
CC[C@H](C)N[C@H](CNC(=O)NN(C)C(=O)OC)c1ccco1	875575641	ROIFJOVVLBXQPT-WDEREUQCSA-N	312.370	1.621	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)c1nc2ccccc2s1)C1CC1	874914447	XFNUPQQGFJAUNR-NSHDSACASA-N	305.359	1.482	50	20	DDGD	
CN[C@H](C)CCNC(=O)NNC(=O)Cc1ccc(Cl)cc1	1118031696	DVLUVLLDSHDYNU-SNVBAGLBSA-N	312.801	1.211	50	20	DDGD	
Cc1cnccc1CNC(=O)NNC(=O)c1cccc(C#N)c1	777509609	YBABJZPDCPHDTH-UHFFFAOYSA-N	309.329	1.406	50	20	DDGD	
C[C@H]1CCC[C@@H](C(=O)NNc2nc(O)c3cnn(C)c3n2)C1	770972958	KRLCSUNIFUNMLQ-DTWKUNHWSA-N	304.354	1.338	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)NC/C=C\C1CC1	1117835712	HVMLCKCAWQVVTG-PLNGDYQASA-N	303.362	1.752	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@H]1C=NNC(=O)c1cccn1C	872338333	FQFXGVGVZWVWDD-GXTWGEPZSA-N	315.377	1.735	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@H]1C[C@@H](O)C1	873781097	VBCCSFJKMDNARY-NMZJUSOJSA-N	306.406	1.511	50	20	DDGD	
O=C(N[C@H]1CCC[C@@H]1O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	871113365	QNCPVAKTIYZVCU-CCJOIDDDSA-N	302.212	1.970	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@]2(C)CCNC2=O)c1C	873758486	UWPYLXFFEJUKOZ-HNNXBMFYSA-N	320.418	1.147	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)O[C@H]2CCCN(C)C2=O)cc1	778745885	IPPZWKGJKWTUDN-WVUXNXBLSA-N	314.341	1.766	50	20	DDGD	
O=C(NNC(=O)c1ncoc1[C@H]1CCCO1)c1ccccc1O	1116078512	JKIQLUICOSMUPB-LLVKDONJSA-N	317.301	1.307	50	20	DDGD	
COC1(C)CCN(CC(=O)NNC(=O)c2ccc(C)cc2)CC1	775556657	UXVGAUFONUBKMJ-UHFFFAOYSA-N	319.405	1.257	50	20	DDGD	
Cc1cccc(NNC(=O)NCC(C)(C)N2CCN(C)CC2)n1	875045401	GBZLJEYFVFDATM-UHFFFAOYSA-N	320.441	1.042	50	20	DDGD	
CCOc1ccc(OCC)c(NC(=O)NNC(=O)CCO)c1	1116610450	UNZSQNQQNOGDKF-UHFFFAOYSA-N	311.338	1.019	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)NC2CCCC2)c(C)o1	776275861	HUPPSDYXUADZJQ-UHFFFAOYSA-N	301.368	1.332	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1c(F)ccc(F)c1F	772735764	MWLWISBJHKCULN-LURJTMIESA-N	318.251	1.207	50	20	DDGD	
O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NNc1ccccn1	777473008	UFILMMUKGSDHGP-UHFFFAOYSA-N	312.289	1.483	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1	883466068	FHKCQNRPYZWXGK-QJPTWQEYSA-N	303.366	1.389	50	20	DDGD	
Cc1ccc([C@@H](O)[C@@H](C)NS(=O)(=O)CCCCl)cc1	882190786	NYOQVFQBDYFVGX-YPMHNXCESA-N	305.827	1.965	50	20	DDGD	
CN1C(=O)CC[C@H]1C(=O)NNc1ccccc1OC(F)(F)F	779210160	XSWMSRKMBOVXKB-VIFPVBQESA-N	317.267	1.649	50	20	DDGD	
CCOCCOCCNC(=O)[C@H](Br)C(C)(C)C	885758496	QVKLUPNYDDKVLS-JTQLQIEISA-N	310.232	1.965	50	20	DDGD	
CC(C)[C@H]1C[C@H](NC(=O)NNc2ccc(C#N)cn2)CCO1	888745738	AQXXPFNARDYLKY-CHWSQXEVSA-N	303.366	1.783	50	20	DDGD	
CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NNC(=O)c1cccnn1	882057474	DVKVYLLKLMFAKY-OBJOEFQTSA-N	320.393	1.612	50	20	DDGD	
CN(C)[C@@H]1CCCC(=NNC(=O)COc2ccc(C#N)cc2)C1	788415392	PFZUZCOPJDRVOG-OAHLLOKOSA-N	314.389	1.913	50	20	DDGD	
CC[C@H](NC(=O)C1CCC(Cl)CC1)C(=O)N1CCOCC1	1123657286	JYGMKCMSCWEBLI-BPCQOVAHSA-N	316.829	1.538	50	20	DDGD	
C[C@@](O)(CC(=O)NNC(=O)c1ccccc1F)c1ccccc1	780849481	YLLKMNFDGQPSIJ-QGZVFWFLSA-N	316.332	1.885	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)NC[C@@]1(C)C[C@H]1Br)C(N)=O	889411719	ZMZCENUESZPRTK-KIKITERTSA-N	320.231	1.359	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccc2[nH]c3ccccc3c(=O)c2c1	780158352	HJHHFRXXYSTYOJ-UHFFFAOYSA-N	321.336	1.852	50	20	DDGD	
CSC1(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)CCC1	787240903	CTBCTJRPXYIUDJ-SNVBAGLBSA-N	316.423	1.397	50	20	DDGD	
CCc1ccccc1OCCC(=O)NNC(=O)c1cccnn1	893680776	CDRAJXMIPBZWJT-UHFFFAOYSA-N	314.345	1.269	50	20	DDGD	
CCN1CC[C@H](N(C)S(=O)(=O)CBr)C[C@H]1C	782456256	XOJQVZBNUGDSIK-ZJUUUORDSA-N	313.261	1.473	50	20	DDGD	
CC(=O)N[C@]1(c2nc(C)no2)CCN(C[C@@H]2[C@H](C)[C@@H]2Cl)C1	895029260	MWUHCZTXMCLWKA-RBQWDTSBSA-N	312.801	1.288	50	20	DDGD	
C#CCN1CCC[C@H](NC(=O)NNc2ccc(C)c(F)c2)C1	890361638	WYHUWOPLLLFHRX-AWEZNQCLSA-N	304.369	1.858	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H]1CCn2cncc2C1	780731073	VONUJOYALRDJNT-NSHDSACASA-N	314.345	1.375	50	20	DDGD	
CC(=NNC(=O)CO)c1cc(Br)cc(F)c1O	783858750	DWBGCGCXGLPASP-UHFFFAOYSA-N	305.103	1.126	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)c1c(Cl)ccc(F)c1F	790046125	WHQVAKJYYRVLIZ-UHFFFAOYSA-N	312.725	1.584	50	20	DDGD	
CC(=NNC(=O)c1nnc(O)c2ccccc12)c1cc(C)on1	790291218	UBTHTGUKFZGIKL-UHFFFAOYSA-N	311.301	1.786	50	20	DDGD	
Cc1coc(C)c1C(=O)OCC(=O)NNC(=O)c1cccs1	792765871	QVNNIWNWXGPBQA-UHFFFAOYSA-N	322.342	1.576	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2nc(C)c(C)s2)n1	794751120	IIGLYNBARVLSRH-UHFFFAOYSA-N	305.363	1.930	50	20	DDGD	
COc1cc(NNC(=O)C2(O)CCOCC2)ccc1Cl	790168648	ORRYJVLAWOQKOL-UHFFFAOYSA-N	300.742	1.333	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Cc1ccncc1C	792797527	FNBSFTMQBFIQOS-UHFFFAOYSA-N	313.357	1.331	50	20	DDGD	
COc1cncc(C(=O)NN=c2sc3ccccc3n2C)n1	790255511	OXAXGVAALSAXBX-UHFFFAOYSA-N	315.358	1.284	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@@H](OC)C2CC2)cc1	792633125	XPYOCNYQUYGBBI-ZDUSSCGKSA-N	323.418	1.828	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@@H]2N(C)CCCC2(C)C)n1	790539528	QXSWDYDCKROVMH-ZDUSSCGKSA-N	320.441	1.840	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)NC(=O)CCc1ccccc1	799409672	LLFZCHSHPUOCFS-CYBMUJFWSA-N	319.405	1.317	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc(C(N)=S)cc2)n1	798317565	RUSUQJQKHTXSKW-UHFFFAOYSA-N	301.375	1.485	50	20	DDGD	
Cc1nn(C)cc1CCC(=O)NNC(=O)c1ccccc1Cl	1318578359	VGDDHTASYYWNAX-UHFFFAOYSA-N	320.780	1.776	50	20	DDGD	
Cc1c(C(=O)NNc2ncc(F)cn2)cnn1C1CCOCC1	1319657207	KJNRJDZXZVOHKC-UHFFFAOYSA-N	320.328	1.229	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CCO)n([C@@H]2C[C@H]3CC[C@H]2C3)n1	1320400625	KIWFLMSNJAPBPF-SDDRHHMPSA-N	321.381	1.088	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)C(=O)Nc1cccnc1	1322288143	DSKWEODTYVUSHF-UHFFFAOYSA-N	323.312	1.005	50	20	DDGD	
Cc1nnc(O)c(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)c1C	1320917135	UMIYTYNSNVOMBJ-QPEQYQDCSA-N	324.340	1.728	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNC(=O)c1cc2c(s1)CCC2	1320536831	ZEWDJNICSOIHDY-UHFFFAOYSA-N	318.402	1.608	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc(C#N)cc1F)C1CC1	1336549783	HDVJTDQNFTYPBD-MRVPVSSYSA-N	306.366	1.605	50	20	DDGD	
Cc1cccc(CN2CCCC[C@@H]2C(=O)NNc2nc[nH]n2)c1	1331350502	JJXYZQFSWUTOHQ-CQSZACIVSA-N	314.393	1.611	50	20	DDGD	
Cc1cc(C)n2ncc(C(=O)NNC(=S)NC(C)(C)C)c2n1	1333995835	YQDBQIYFMAWKOU-UHFFFAOYSA-N	320.422	1.254	50	20	DDGD	
C[C@@]1(COC(=O)CCN2CCCC2=O)C[C@H]1Br	1348961705	NWUTZGBXINXXHP-SKDRFNHKSA-N	304.184	1.716	50	20	DDGD	
CO/C(=C/c1ccccc1)C(=O)NNC(=O)[C@@H]1CCCCO1	1344402973	CPHSZIQWWYYSEY-UQRISPGASA-N	304.346	1.390	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)COCc1ccncc1	1343733739	QRKQUHZSVBDEDS-UHFFFAOYSA-N	301.350	1.655	50	20	DDGD	
C[C@H](OCc1ccncc1)C(=O)NNC(=S)N[C@H](C)C1CC1	1348729632	CSRPUBVDJAYAAT-MNOVXSKESA-N	322.434	1.281	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)c1cn2c(n1)CCCC2	1351065616	NBFFFACJTUQBFL-UHFFFAOYSA-N	318.764	1.948	50	20	DDGD	
Cc1cc(COCC(=O)NNc2ccccc2C(=O)O)no1	1600215259	QFKUCKRJBWXQST-UHFFFAOYSA-N	305.290	1.341	50	20	DDGD	
Cc1ccnc(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)c1	1605958807	JXBDDLJZCONXLQ-UHFFFAOYSA-N	310.321	1.719	50	20	DDGD	
C#C[C@H](NC(=O)NNc1cccc(C(=O)O)c1F)[C@H]1CCCO1	1602674290	ONKOVHXHBBXQQS-CMPLNLGQSA-N	321.308	1.331	50	20	DDGD	
O=C(O)C[C@@H]1COCCN1C[C@H](CBr)C1CC1	1601963728	PNNNDYNAKPPWHE-WDEREUQCSA-N	306.200	1.583	50	20	DDGD	
N#CSCCCNC(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1	1601079609	NXLBCDIITLPDNW-UHFFFAOYSA-N	309.303	1.627	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2cccn2[C@@H](C)C(=O)O)n1	1607839454	KNPYCGKKRSENOU-NSHDSACASA-N	300.318	1.601	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)n1	1607149917	LMBOEFKDGHNYMZ-VHSXEESVSA-N	308.338	1.128	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2cnc(C3CC3)nc2)cc1	1602128737	UDXGSULQYBGTLG-UHFFFAOYSA-N	312.329	1.738	50	20	DDGD	
O=C(O)C(=O)NN=Cc1c[nH]c2cccc(Br)c12	1601638359	UUZWOENPMVLCPR-UHFFFAOYSA-N	310.107	1.465	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cccn1[C@H](C)C(=O)O	1607960610	MSJYYXHVHIFREW-MRVPVSSYSA-N	321.362	1.245	50	20	DDGD	
O=C(O)Cn1cccc1C=NNC(=O)CCN1CCCCCC1	1602166240	GYAOODRXOONLLG-UHFFFAOYSA-N	320.393	1.289	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2cc(F)c(F)c(F)c2)nc1	1606478893	SAPBDXUBQWANKA-UHFFFAOYSA-N	311.219	1.954	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2c(F)cc(F)cc2F)O[C@H]1C(=O)O	1607444313	NJCQRCDLKVQVRO-UZNWJXFASA-N	318.251	1.425	50	20	DDGD	
CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[C@@]1(C)CCCO1	1609060919	ODWGCQZDACWYSJ-OAHLLOKOSA-N	314.349	1.542	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2n[nH]c3c2CCCC3)c1F	1602448913	WVHGHCLJLMDSOK-UHFFFAOYSA-N	318.308	1.883	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)N[C@H]1CCCOCC1	1601558110	KCWLOZHNEUAYFX-VIFPVBQESA-N	311.313	1.719	50	20	DDGD	
O=C(COc1ccccc1-c1nn[nH]n1)NN=Cc1ccccc1	1606578704	PXUBUPYQDMSCCG-UHFFFAOYSA-N	322.328	1.396	50	20	DDGD	
O=C(NN=C1CCc2c(F)cccc21)[C@H]1CN2CCC[C@@H]2CO1	1549319893	XHKCKWKGOIUSGK-BDJLRTHQSA-N	317.364	1.455	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@@H]1C(=O)NN=Cc1cc[nH]c1	1549314476	DGTKMKMJODQDEZ-JSGCOSHPSA-N	301.350	1.366	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@]1(CC(=O)O)CCOC1	1610618917	OCTYOTSGXNFTNT-NYUWMOHMSA-N	316.313	1.049	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@@H]1C(=O)NN=Cc1ccncc1	1549309194	LOTCYZDWONGERZ-KBPBESRZSA-N	313.361	1.433	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1C[C@@H]1F)C2	1800073004	SASPEZAWDJYUGY-JOGIVDDZSA-N	316.804	2.000	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=C[C@@H]1CCCO[C@@H]1c1ccnn1C	1552763080	PKQWDKWMQWWPHU-VIRABCJISA-N	320.393	1.415	50	20	DDGD	
C=C(CCC(=O)O)C(=O)NNC(=O)[C@H](CC)c1ccccc1	1588630729	ZMYFTNGMEYIFMC-CYBMUJFWSA-N	304.346	1.749	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1c[nH]c(C(=O)O)c1)c1ccccc1	1589575126	ZOQUCBPLRGJBAC-UHFFFAOYSA-N	315.329	1.452	50	20	DDGD	
C[C@]1(CNCC2(O)CCC(C(=O)O)CC2)C[C@H]1Br	1589246978	OASWJOKZGKDEMO-JKFXUVRWSA-N	320.227	1.755	50	20	DDGD	
C/C=C/C(=O)N1CCCC12CN(C(=O)[C@H](F)Br)C2	1845963223	CEVNAFWTPFDGBS-YWNRKNDBSA-N	319.174	1.456	50	20	DDGD	
CC(C)(C)[C@H](C(=O)O)C(=O)NNC(=O)c1cc2ccccc2o1	1588634767	UIMPXKOIIMQVCL-LBPRGKRZSA-N	318.329	1.941	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNc1cccc(-c2nn[nH]n2)c1	1591372477	IMPQUWXIKLHLGK-NXEZZACHSA-N	304.354	1.228	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccc(F)c(C(=O)O)c1)N1CCCC1=O	1594736811	ONLNPVCGTWHGRB-LBPRGKRZSA-N	323.324	1.368	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccccn2)ccc1C(=O)O	1594322777	CWEXZDAKEPSNSZ-UHFFFAOYSA-N	314.301	1.555	50	20	DDGD	
C[C@@H](Oc1ccccc1C=NNC(=O)NCC1CC1)C(=O)O	1593644508	LHBIXIIDWFNKTD-SNVBAGLBSA-N	305.334	1.582	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1cccc(OCCC(=O)O)c1	1776946224	ZTNBZEVXMSCZQZ-LCYFTJDESA-N	309.343	1.839	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NN=Cc1ccc(C(=O)O)cc1OC	1776102581	SWBLJKXRLSZDSD-YPMHNXCESA-N	306.318	1.269	50	20	DDGD	
Cn1cc(C(=O)O)cc1C=NNC(=O)c1ccc(O)c(Cl)c1	1776044450	MDJWKLCXGIPEJA-UHFFFAOYSA-N	321.720	1.846	50	20	DDGD	
C[C@@H](Oc1ccc(C=NNC(=O)c2ncccn2)cc1)C(=O)O	1776081586	VODFEZOGYLKKFW-SNVBAGLBSA-N	314.301	1.092	50	20	DDGD	
O=C(CC1CC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl	1793110345	PIVCHWZMSNSGPC-RNJOBUHISA-N	314.813	1.024	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnn(CCC(C)C)c1C	157516553	PWUKCCLWEUVOGL-UHFFFAOYSA-N	309.414	1.982	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@H]2Cc3ccccc3O2)nc1	156749220	QOAWWVDAETUJSQ-CYBMUJFWSA-N	314.345	1.720	50	20	DDGD	
COc1ccc(NNC(=O)c2cn(C)nc2C(C)(C)C)nc1	159563996	DYZHJWIWLKGFIB-UHFFFAOYSA-N	303.366	1.878	50	20	DDGD	
CN(CCN1CCOCC1)C[C@@H](CBr)C1CC1	859119363	YPZSIVCHERTPIL-CYBMUJFWSA-N	305.260	1.672	50	20	DDGD	
O=S(=O)(c1ccc(CCl)cc1)N(CCO)CC(F)F	311413355	ZVNCWUXKBYTSHZ-UHFFFAOYSA-N	313.753	1.674	50	20	DDGD	
C[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)COc1ccc(C#N)cc1	105310207	ODQLMFMMLCOBHQ-RISCZKNCSA-N	316.361	1.456	50	20	DDGD	
C[C@@H]1C[C@H]1C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	103523942	QQXVXFIUYYVTKJ-GMSGAONNSA-N	304.318	1.782	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccc(C(=O)N(C)CC)c1	104327817	BMXWEBSHDVZTCC-UHFFFAOYSA-N	320.393	1.523	50	20	DDGD	
O=C(NNC(=O)c1cccc(-n2cccn2)c1)c1ccncc1	116713034	FXNGJXMSTNTNLJ-UHFFFAOYSA-N	307.313	1.342	50	20	DDGD	
C[C@H](CC(=O)NNc1cnccn1)NC(=O)C1CCCCC1	114879095	GFLALEHIZJIPHD-LLVKDONJSA-N	305.382	1.395	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1	66601946	DBMXSUFGGHQWDW-NEPJUHHUSA-N	311.426	1.511	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cccc(-n2cccc2)c1	109860126	MUFAOKGCWQMUKK-UHFFFAOYSA-N	309.329	1.584	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C1CCN(c2cnccn2)CC1	103198168	INSNSRIUSBOAJC-UHFFFAOYSA-N	319.409	1.277	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H]1CCc2[nH]ncc2C1	174853918	AGBCIPKEXZSKGM-LBPRGKRZSA-N	321.812	1.749	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccc(C#N)cc2)c(C)n1	119671078	BSOSJVPNOJLXDD-UHFFFAOYSA-N	309.329	1.652	50	20	DDGD	
CN1CCC(CCNC(=O)NNc2cccc([N+](=O)[O-])c2)CC1	171378068	GHXVVIPJEXPDCO-UHFFFAOYSA-N	321.381	1.953	50	20	DDGD	
NC(=O)[C@@H](NNC(=O)Cc1ccc(F)cc1)c1ccc(F)cc1	66938915	AMRBJLQHTGASPS-HNNXBMFYSA-N	319.311	1.355	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1ccc[nH]1)Oc1ccc(F)cc1	173276903	UKGHZLBEGJSXJC-JTQLQIEISA-N	320.324	1.565	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCC(=O)Nc1c(C)cccc1C	27183557	RRJIBZBQODHTHV-UKTHLTGXSA-N	301.346	1.802	50	20	DDGD	
COc1ccc(C(F)(F)C(=O)NNC(=O)C(C)(C)C)cc1	119921500	CDWIREOQGREOPR-UHFFFAOYSA-N	300.305	1.981	50	20	DDGD	
O=C(NNc1ccccc1F)[C@H]1CC[C@H](C(F)(F)F)NC1=O	178895078	ZWHVBXWJTSRVEZ-OIBJUYFYSA-N	319.258	1.726	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccc([N+](=O)[O-])cc1F	175783451	WREQBABGOCYVNU-UHFFFAOYSA-N	318.264	1.133	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCCC[C@@H]1CCCCO1	186429145	RBTGCCIHHXFGRU-AWEZNQCLSA-N	320.393	1.304	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(C)c2C)o1	129622243	IPFLYBWGQQGVBI-UHFFFAOYSA-N	315.329	1.605	50	20	DDGD	
C[C@@H](NC(=O)CC1CCCCC1)C(=O)NNc1ncc(F)cn1	122585114	FOTJMTSOUNJKCK-SNVBAGLBSA-N	323.372	1.534	50	20	DDGD	
C/C=C/C=C/C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	72576467	GUWBLFUSSXKUDU-YTXTXJHMSA-N	301.346	1.522	50	20	DDGD	
CN(C)CC(=O)NNC(=O)CC1(CSc2ccccc2)CC1	184470220	PGKXEEKXWGGRFF-UHFFFAOYSA-N	321.446	1.658	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)C(=O)NNC(=O)NC1CCCCC1	181699118	HRGHAZYUOWZEMN-SECBINFHSA-N	307.398	1.793	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)COc2ccc(C)c(C)c2)n[nH]1	121053013	ASVVNTRMRRMSGS-UHFFFAOYSA-N	316.361	1.104	50	20	DDGD	
COC(=O)Cc1cccc(C(=O)NNc2cc(C)ncn2)c1	188282813	KNFZUKMYPGCGNU-UHFFFAOYSA-N	300.318	1.257	50	20	DDGD	
CCCC[C@H](CCC)CNC(=O)NNC(=O)C(=O)NC1CC1	130786555	ANADINVZXXOURS-NSHDSACASA-N	312.414	1.202	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1CCCCC(=O)N1)c1ccccc1	194088963	OGBUOOFCKMBPSK-KBPBESRZSA-N	317.389	1.386	50	20	DDGD	
C[C@H](CBr)CN1CCC(N(C)CCCO)CC1	133794772	UULULHDDMONSRS-GFCCVEGCSA-N	307.276	1.796	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CSc1ccccc1OC	192164638	GABQWXDINARPQZ-UHFFFAOYSA-N	306.387	1.738	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1cccc(-n2ccnn2)c1	131864938	ZBHXRSUZXGUWQN-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
CCN1CCO[C@@H](C(=O)NNc2ccc(C(F)(F)F)cn2)C1	132094137	CFEAZHSZGUCREM-SNVBAGLBSA-N	318.299	1.264	50	20	DDGD	
Cc1cc(F)ccc1CCNC(=O)NNC(=O)c1cnn(C)c1	87154996	NHNSJTCARCNMLX-UHFFFAOYSA-N	319.340	1.054	50	20	DDGD	
COc1ccc(F)c(C(=O)NNC(=O)c2ccc(C)o2)c1OC	191898749	ZAAHFATZWFAGBC-UHFFFAOYSA-N	322.292	1.819	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)C(C)(C)O)c1	190074239	BZJGINSZNLMJAO-UHFFFAOYSA-N	308.378	1.416	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cc1	248373315	HXOQUUZLZARZDK-KCQAQPDRSA-N	302.374	1.957	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C	269479354	OEWDULSKQVFAPL-OWRWYXLESA-N	323.393	1.898	50	20	DDGD	
CC(=O)NNC(=O)c1nn(-c2ccc(C)cc2C)c2c1CCC2	264382718	CNHVRQYVPCYZEC-UHFFFAOYSA-N	312.373	1.759	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cnc(S)n1-c1ccccc1	264677155	IDSBOBHILBKRLI-UHFFFAOYSA-N	316.386	1.722	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cc1ccc2c(c1)OCO2)C1CC1	267643228	UJFHLDYVOHFBRF-SECBINFHSA-N	321.402	1.252	50	20	DDGD	
CCc1ccccc1CNC(=O)NNC(=O)[C@@H](C)OCCOC	267238198	XSRYFVXFEGWENH-GFCCVEGCSA-N	323.393	1.131	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCC[C@H]1CSC	269044836	YBCMUFQODILGHV-NSHDSACASA-N	323.418	1.877	50	20	DDGD	
CC[C@H](C(=O)NNc1cc(Cl)nc(C)n1)N1CCCC1=O	267107036	QFGBUKDTLKCYGD-SECBINFHSA-N	311.773	1.283	50	20	DDGD	
Cn1cc([C@@H]2C[C@H]2C(=O)NNc2cccc([N+](=O)[O-])c2)cn1	366669471	PMFZAHPUYBSNNF-QWHCGFSZSA-N	301.306	1.575	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1c(C)cccc1C	272378661	TVLSKRBSPSKOBG-LBPRGKRZSA-N	309.366	1.508	50	20	DDGD	
O=C(NNC(=O)N1CCC(OCC2CC2)CC1)c1ccccc1	369756241	DVAXZOIFYLTTQD-UHFFFAOYSA-N	317.389	1.932	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)c1ccccc1C)[C@H]1CCCO1	279661119	CTPUYNXLQAQQQM-UONOGXRCSA-N	321.377	1.133	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1ccc(S(=O)(=O)CC)cc1	272007046	YLQYVWUGCCAQQI-ACCUITESSA-N	322.386	1.540	50	20	DDGD	
Cc1ccc(Br)nc1C(=O)NNC(=O)CC(C)C	276120736	YAWONBNMBONTRB-UHFFFAOYSA-N	314.183	1.960	50	20	DDGD	
CC[C@H]1CCCC[C@H]1OCC(=O)NNc1ccc(C(N)=O)nn1	274410010	VEJFPPHHYPEVJD-CMPLNLGQSA-N	321.381	1.004	50	20	DDGD	
O=C(CCNS(=O)(=O)CBr)Nc1ccccc1	272773275	FUIUCPLRDSWEEV-UHFFFAOYSA-N	321.196	1.287	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1nnc(CC(C)C)s1	274454836	VIAPYSZMDIQPPB-UHFFFAOYSA-N	300.388	1.434	50	20	DDGD	
O=S(=O)(CCCCCl)N1C[C@H](O)Cc2ccccc21	278698334	NFJUDXULIGZNSL-GFCCVEGCSA-N	303.811	1.759	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1	276061722	QWCALEDAUURQQQ-UHFFFAOYSA-N	311.298	1.301	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@](C)(O)CCc1ccccc1	282832541	OYYHWKOARNUFOO-MRXNPFEDSA-N	308.378	1.926	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)[C@@](C)(O)C3CC3)cc2C1	288515478	XGMANPNGQDPSMX-FVMDXXJSSA-N	322.430	1.795	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)n1	280996710	VNJJJVWOHYIARR-RTXFEEFZSA-N	318.377	1.148	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1cccc(F)c1Cl	288160201	RNHGCMUDBCCWCH-UHFFFAOYSA-N	315.732	1.611	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1cc2n(n1)CCCC2	376205508	QXAANVGXWMOHOQ-UKTHLTGXSA-N	308.341	2.471	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNC(=O)CNc1ccc(C)cc1C	287148029	PPYIRTSYXUOSBN-UHFFFAOYSA-N	321.377	1.204	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnn(CCC)c1C1CC1	281309545	RZWNIFLDEOGFNZ-UHFFFAOYSA-N	307.423	1.465	50	20	DDGD	
CSSCCNC(=O)CCNC(=O)Cc1ccccc1	284202075	UAIXEXMICDHSGV-UHFFFAOYSA-N	312.460	1.863	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H](C)[C@@H]2CCCCO2)n1	280216484	IQHIVKCVBMFBKA-AAEUAGOBSA-N	306.366	1.292	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1ccc2c(O)nccc2c1	285759778	QYIFJWQVKYQSSG-UHFFFAOYSA-N	318.333	1.520	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCCC1(C)C	807369662	DKSBQMCQOGVXJK-LLVKDONJSA-N	300.399	1.749	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNc2cc(C)nc(C)n2)c1C	295907487	QXECJUKRGXUIIG-UHFFFAOYSA-N	302.382	1.612	50	20	DDGD	
COc1cccc(OCCCNC(=O)NNc2ccncn2)c1	296567390	XLNGEHKIZZRQIH-UHFFFAOYSA-N	317.349	1.580	50	20	DDGD	
COCCN(C)NC(=O)CCCOc1ccc(C#N)cc1OC	293753074	YGMWAMSKOFUVEH-UHFFFAOYSA-N	321.377	1.335	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)Cn2ccc3ccccc32)C1	805178811	ZBGYZALZOMXXMJ-UHFFFAOYSA-N	315.373	1.604	50	20	DDGD	
CCC/C(C)=C/C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	801111434	OARKLNUWAJOUDI-ZRDIBKRKSA-N	303.362	1.827	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)Cc2cncs2)cc1	802060046	CYXXMURCEAOOER-UHFFFAOYSA-N	306.347	1.547	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1	808245850	GLUQQPMFLPMXCW-UHFFFAOYSA-N	308.121	1.019	50	20	DDGD	
COCc1ncsc1C(=O)NNc1nc2ccccc2[nH]1	807174060	UFDSHKMBBZQHJY-UHFFFAOYSA-N	303.347	1.923	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)C(C)(C)C)cc1C(=O)O	298852405	LVXZZDHKZLHTQX-UHFFFAOYSA-N	314.363	1.049	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@H](c1ccco1)N1CCCC1	298685096	YNNJKMWJBIQMCT-ZDUSSCGKSA-N	322.409	1.793	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@H](O)c1ccc(Cl)cc1	813534808	HLWYKFLOUFOFFG-GFCCVEGCSA-N	317.736	1.559	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NN=Cc1cnn(C)c1N	814747635	CGVAIRMDHVAUKC-SECBINFHSA-N	305.313	1.059	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)c(C)c1)c1c[nH]nc1C	814769343	YKOQSJCROGDJBE-UHFFFAOYSA-N	313.361	1.814	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H]2CCC(=O)NC2)cc1C	812723279	CDYOILXZGOJHQA-LLVKDONJSA-N	319.361	1.141	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NNC(=O)[C@H]2CCCC[C@@H]2C)c1	819909184	XKHAVVQOSXAFPW-HZMBPMFUSA-N	318.377	1.627	50	20	DDGD	
CCCN(C)c1ccc(C(=O)NNC(=O)c2ccnnc2)cc1	817693236	ISLFPCCTBRSKQX-UHFFFAOYSA-N	313.361	1.398	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2ncc(C(C)(C)C)s2)CC1	814913285	KLPOAYZWFSDYKZ-UHFFFAOYSA-N	309.439	1.732	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Cc2ccc3c(c2)CCO3)c1	728828264	MVNPWISRJMRVER-UHFFFAOYSA-N	321.336	1.497	50	20	DDGD	
Cc1nn(C)c(N)c1C=NNC(=O)c1cc(Cl)ccc1O	814777299	RWOVEKGXSREADD-UHFFFAOYSA-N	307.741	1.434	50	20	DDGD	
C[C@@H]1Oc2c(ccc(Cl)c2Cl)C1=NNC(=O)C(N)=O	729931350	BAHIFCBJCUYUIS-BYPYZUCNSA-N	302.117	1.080	50	20	DDGD	
O=C(CN1CCC[C@H](c2ccccc2)C1)NNC(=O)C1CC1	814644066	ZBWVXATXNGJJIS-HNNXBMFYSA-N	301.390	1.423	50	20	DDGD	
CCc1nc2ccc(Cl)cn2c1C(=O)NN(C)C[C@@H](C)O	823552755	FKWPUVIGVNHHRL-SECBINFHSA-N	310.785	1.508	50	20	DDGD	
O=S(=O)(CCl)NCc1ccnc(OCC(F)(F)F)c1	820785984	QDRGKBYTIWFNJL-UHFFFAOYSA-N	318.704	1.638	50	20	DDGD	
CN(C)[C@@]1(CNC(=O)NNC(=O)OC(C)(C)C)CCSC1	493073968	OFHPWFSPAKJFPK-CYBMUJFWSA-N	318.443	1.163	50	20	DDGD	
C[C@H]1OC(=O)N[C@@H]1C(=O)NNc1ncc(Cl)cc1Cl	496330383	RUFQDJDBOXGSGZ-FBCQKBJTSA-N	305.121	1.328	50	20	DDGD	
CCOc1c(OC)cc(C=NNC(=O)CN(C)C)cc1OC	727648234	ZKHADTHRQANMKV-UHFFFAOYSA-N	309.366	1.114	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@@H](C)Oc1ccccc1	826002411	XIXDEGYQMZUZSK-MBNYWOFBSA-N	321.377	1.209	50	20	DDGD	
COC(=O)N(C)NC(=O)c1c(OC)ccc(SC)c1OC	497013841	GYXZZJXOANDETM-UHFFFAOYSA-N	314.363	1.769	50	20	DDGD	
CC1CCN(c2ccc(C(=O)NN(C)[C@@H](C)CO)cn2)CC1	823959950	SQBTYKGWMWUOGO-ZDUSSCGKSA-N	306.410	1.275	50	20	DDGD	
Cc1ccc([C@](O)(CC(=O)NN(C)[C@@H](C)CO)C(F)(F)F)o1	823946683	MTVRKIDGFLJKKH-QPUJVOFHSA-N	324.299	1.072	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(N3CCOC3=O)cc2)ncn1	491497958	BAYVEPOURUSOPO-UHFFFAOYSA-N	313.317	1.499	50	20	DDGD	
Cc1cc(Br)cc(C(=O)NNC(=O)N(C)C)c1C	824627696	TWEFGNBFOJNDEV-UHFFFAOYSA-N	314.183	1.982	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CCS[C@H]2C)cc1	828525459	ROVSBYPYGXQVOU-WCQYABFASA-N	323.418	1.598	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)cc1OC	822188702	JFQWDAJMFSBLBL-NTZNESFSSA-N	318.373	1.901	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)C(C)C)c(Cl)c1OC	822203815	PLLXTILSKCJAIM-UHFFFAOYSA-N	314.769	1.703	50	20	DDGD	
CN(NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)C1CC1	497063561	MXYSFVWCNHDJPU-OAHLLOKOSA-N	317.389	1.913	50	20	DDGD	
Cc1cc([C@@H]2CCCN2C(=O)NNC(=O)[C@H]2CCO[C@H]2C)no1	827272706	BUKJXGREBAZDOX-GVXVVHGQSA-N	322.365	1.286	50	20	DDGD	
CC[C@H](CNCc1ccc(B(O)O)o1)Oc1ccccc1F	585030596	HFCUKBVJZIAAHZ-LLVKDONJSA-N	307.130	1.046	50	20	DDGD	
OB(O)[C@@H]1CCN(c2cc(-c3ccccc3)nc3ccnn23)C1	900965323	LYERJXWLQSBCGV-CYBMUJFWSA-N	308.150	1.449	50	20	DDGD	
O=C(c1cc(Cl)nc(N2CCCC2)c1)N1CC[C@@H](B(O)O)C1	585069858	QWHGMKNFKYGMGB-LLVKDONJSA-N	323.589	1.024	50	20	DDGD	
COc1ccc(C(=O)NN(C)C[C@H](C)O)cc1Br	824698935	PXXHYEWFQVPMBL-QMMMGPOBSA-N	317.183	1.415	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H]1CCc2cc(OC)ccc2C1	909992878	HZCGMCTTXMVSGY-GFCCVEGCSA-N	307.419	1.267	50	20	DDGD	
O=C(c1ccccc1)N1CCCN(S(=O)(=O)CCl)CC1	829897515	GQXWWHUDYZASAO-UHFFFAOYSA-N	316.810	1.361	50	20	DDGD	
Cc1cc(O[C@@H](C)C(=O)N2CC[C@@H](B(O)O)C2)ccc1C(C)C	585068962	JRLOSDPTKLKYIZ-UONOGXRCSA-N	319.210	1.961	50	20	DDGD	
CC(C)(O)[C@H](Oc1ccccc1)C(=O)NNC(=O)C1CCCC1	821754826	STTHPQJXKLEYAA-CQSZACIVSA-N	320.389	1.543	50	20	DDGD	
Cc1nc(-c2ccccc2)sc1C(=O)N1CC[C@H](B(O)O)C1	585068594	CJSCFSLSXORJAP-LBPRGKRZSA-N	316.191	1.807	50	20	DDGD	
COC(=O)c1ccccc1CC(=O)NN(C)C(=O)OC(C)(C)C	496382920	WFYZHALWIPIQBP-UHFFFAOYSA-N	322.361	1.914	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN(CC(F)(F)F)C1)C1CCC1	732141921	OXXFHFHFAXKAJV-JTQLQIEISA-N	307.316	1.208	50	20	DDGD	
O=C1C[C@H]2C[C@@H]1[C@H](C(=O)NNc1ccc(C(F)(F)F)nn1)C2	837497412	IIQGVRRGMNUOAK-XLPZGREQSA-N	314.267	1.554	50	20	DDGD	
Cn1c(C2CC2)nc2cc(NCc3cccc(B(O)O)c3)ccc21	585033250	BVOSAGYUEGBAIF-UHFFFAOYSA-N	321.189	1.743	50	20	DDGD	
Cc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)c2ncon2)cc1C	832830255	MKCZUTFLYAQGGV-NWDGAFQWSA-N	300.318	1.251	50	20	DDGD	
COc1cc(F)cc(C[C@@H](C)NC(=O)NNC(=O)C2CCC2)c1	836672614	RWXNDORPEPUYSM-SNVBAGLBSA-N	323.368	1.896	50	20	DDGD	
Cc1cc(C[C@H](C)NC(=O)[C@@]2(C)C[C@H]2Br)n[nH]1	907058667	ZCTKXIAXBBQQBT-KOLSJAJHSA-N	300.200	1.939	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2CCCN(C3CCCCC3)C2)c1	585021459	KZVNFUKXSFVYPC-QGZVFWFLSA-N	316.254	1.253	50	20	DDGD	
CC1(C)CN(C(=O)c2cc(B(O)O)ccc2F)[C@@H]2CCC[C@@H]21	584994554	KQPKQRRQNMCLPX-GXTWGEPZSA-N	305.158	1.156	50	20	DDGD	
C[C@@H]1[C@H](NCc2cccc(B(O)O)c2)CCN1Cc1ccccc1	585041645	RQZAUWIXSOLTHF-DNVCBOLYSA-N	324.233	1.119	50	20	DDGD	
CC(=O)NC1CCN(C(=O)[C@]2(C)C[C@@H]2Br)CC1	906462936	TVOTVWFAXIRHGH-CMPLNLGQSA-N	303.200	1.287	50	20	DDGD	
O=C(c1ccccc1)c1ccccc1C(=O)N1CC[C@@H](B(O)O)C1	585072331	LUDNECNLZWSXEL-CQSZACIVSA-N	323.157	1.607	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1nc2c(s1)CCC2	831117394	UUWIUMLOGHMJOZ-HTQZYQBOSA-N	310.379	1.210	50	20	DDGD	
CSCCCNC(=O)NNC(=O)c1cc2c(s1)CCC2	736392954	WVRXHOLXXBXUKZ-UHFFFAOYSA-N	313.448	1.934	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)[C@H]1CCCc2nn[nH]c21	830821887	ZEXJKICXZCNOKL-LURJTMIESA-N	311.267	1.785	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)NCc2ccco2)C[C@H]1Br	906416842	HGESGGHCBSGKHY-LDYMZIIASA-N	316.155	1.284	50	20	DDGD	
CCOC(=O)N1CC[C@H](NC(=O)[C@@]2(C)C[C@H]2Br)C1	907446995	PYTRIFZASCPHRB-SBMIAAHKSA-N	319.199	1.507	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)N[C@@H](C)C[C@@H](C)N)c1	831198079	ZELXVKFWGWEQDZ-OLZOCXBDSA-N	322.409	1.138	50	20	DDGD	
CC(C)C[C@@H]1OCCC[C@H]1NCc1ccc(B(O)O)cc1F	585037288	XXRGOBUCPUULEQ-CVEARBPZSA-N	309.190	1.189	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCCCC2)CC1	584979659	AUKFLPTVVSUQJN-UHFFFAOYSA-N	315.222	1.943	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NC[C@@]1(C)CCC(=O)N1	837223123	JURCBGGSQMXJBB-BXKDBHETSA-N	305.216	1.581	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCO[C@@H](c2ccccc2F)C1	732200243	YLNMXNMYPAOLAO-BXUZGUMPSA-N	323.368	1.145	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCCO1)c1ccc([S@](C)=O)cc1	834989265	QDZOPUHUJIYXLB-QKKBWIMNSA-N	308.403	1.833	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)CCc2ccccc2)n[nH]1	738481135	ORXRTULKSMDOLL-UHFFFAOYSA-N	301.350	1.181	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CCCC(=O)C(C)(C)C	837907847	PRWQAZVIPWVLSS-JTQLQIEISA-N	314.382	1.261	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=Cc1nn(CC)nc1C	834921792	IGELBJPQBMNQMW-UHFFFAOYSA-N	315.377	1.698	50	20	DDGD	
CO[C@H](C1CC1)[C@@H](C)NC(=O)NNC(=O)c1ccccc1C	836192843	QBQYOEWUWWKBSS-RISCZKNCSA-N	305.378	1.753	50	20	DDGD	
C[C@@H](N(C)CC(=O)NNC(=O)c1ccc(F)cc1)C1(C)CC1	839502189	JZFGUBVUZPCESY-LLVKDONJSA-N	307.369	1.707	50	20	DDGD	
C[C@H]1C[C@@H]1c1ccc(CNC(=O)NNC(=O)c2ccc[nH]2)o1	918078002	LNKIXKADIHHELN-ONGXEEELSA-N	302.334	1.875	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2C[C@H](OC)C23CCC3)n1	838763487	CXGWMXGGSSGQFG-UWVGGRQHSA-N	307.354	1.069	50	20	DDGD	
O=C(NNC(=O)c1cocn1)c1cccc(Br)c1	742773498	VPNPHQGUYCOJDQ-UHFFFAOYSA-N	310.107	1.512	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)OC[C@@H]2CCC(=O)N2)cc1	845074639	VSMSPMUMCVNZLC-RPHSKFLZSA-N	300.314	1.424	50	20	DDGD	
CNCCCNC(=O)NNC(=O)Nc1ccc(C)cc1Cl	841915244	OQXJKDFHSQTNQX-UHFFFAOYSA-N	313.789	1.594	50	20	DDGD	
NC1(CNC(=O)NNC(=O)c2ccc(Cl)cc2)CCCCC1	841923886	IDHAICKCZPYROZ-UHFFFAOYSA-N	324.812	1.946	50	20	DDGD	
C[C@H]1CCN[C@@H](C(=O)NNc2ncc(Br)cn2)C1	848436023	CXGBAUAZVGIWBN-IONNQARKSA-N	314.187	1.070	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCCNC(C)C	841933430	CBTAJMNBKAMKAD-UHFFFAOYSA-N	308.382	1.027	50	20	DDGD	
C=C(C)CONC(=O)NNC(=O)c1ccc(OC)cc1OC	845596661	YETRBTIAQMQEOI-UHFFFAOYSA-N	309.322	1.156	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCC[C@@]1(O)CCCOC1	846603103	OHOFXADNXQALPZ-SHRNQRGKSA-N	318.348	1.780	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1cc(F)c(OC)cc1OC	844274634	FIVRKGKHDOLFMC-GHXNOFRVSA-N	322.336	1.903	50	20	DDGD	
C=CCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)NC	746594893	WESVDKZEXLDKOP-UHFFFAOYSA-N	315.333	1.011	50	20	DDGD	
C[C@H](C1CCCCC1)N(C)C(=O)NNC(=O)c1ncccn1	841592138	KXMRYVNDFKXQRW-LLVKDONJSA-N	305.382	1.732	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1ccc(C)s1	743447254	FTVXOEJVSWRXGL-UHFFFAOYSA-N	306.347	1.341	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1cnc2c(c1)C[C@H](N)CC2	841321008	DAYQNJIZHQDEEM-GFCCVEGCSA-N	312.377	1.750	50	20	DDGD	
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NN(C)C[C@@H](C)O	910177309	KQUBKSCVNOFPDF-SNVBAGLBSA-N	322.796	1.792	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CC23CCCC3)cc1	747345181	KGDQQBHVRRCLPE-AWEZNQCLSA-N	313.357	1.665	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=Cc1ccc(C(=O)O)[nH]1	749813060	WGZKPULRFMSFMA-UHFFFAOYSA-N	311.301	1.433	50	20	DDGD	
O=C(O)c1ccc(O)c(C=NNC(=O)c2ccc(Cl)nc2)c1	740155811	UXXAEORATKUEPJ-UHFFFAOYSA-N	319.704	1.903	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC[C@@H]1CCCCN1)c1ccccc1	841919484	AKEGSULXSUBBEC-LSDHHAIUSA-N	318.421	1.653	50	20	DDGD	
CC(C)Cn1nccc1C=NNC(=O)C(=O)Nc1ccccn1	842527884	NTVBVRYOSZOUEQ-UHFFFAOYSA-N	314.349	1.023	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1ccccc1C(=O)O	916361288	WNFUMOSNLLLICH-CYBMUJFWSA-N	317.389	1.957	50	20	DDGD	
COc1cn(-c2ccccc2)nc1C(=O)NNc1ncccn1	913044127	QRXAVCGPTGRBOU-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
Cc1cc(C=NNC(=O)c2cccnc2)ccc1-n1cncn1	743418403	YOSCOJHCNRHCJE-UHFFFAOYSA-N	306.329	1.735	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCCC[C@H]1C=NNC1=O	912469681	FMGPXUQHLMKZLJ-IUCAKERBSA-N	318.215	1.424	50	20	DDGD	
Cc1cccc(NNC(=O)C2CCC(N3CCOCC3)CC2)n1	912980924	CQKWSYNBLDWJDG-UHFFFAOYSA-N	318.421	1.724	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(C)CCCNC(=O)OC(C)(C)C	746515383	QFHWYWBYLZKLEH-QXMHVHEDSA-N	311.382	1.804	50	20	DDGD	
C[C@@H](CC(=O)NNc1nc2ccccc2n1C)c1cnn(C)c1	848380220	BZUOAHJTHFIBJV-NSHDSACASA-N	312.377	1.944	50	20	DDGD	
COC(=O)[C@H](NNC(=O)[C@@H]1CCCCO1)c1ccccc1C	842151670	WWADTWBDVVBDRQ-UONOGXRCSA-N	306.362	1.399	50	20	DDGD	
COCC[C@@H](C)CNC(=O)NNC(=O)c1cccc(N(C)C)c1	840400249	WLIFILIASMBILS-GFCCVEGCSA-N	322.409	1.369	50	20	DDGD	
C[C@@H](COCC1CC1)NC(=O)NNC(=O)CCc1ccccc1	845584580	TZRHOAUJEVMIHK-ZDUSSCGKSA-N	319.405	1.765	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)c2ncccn2)c1C	841354024	JQSVOCLHBIAIIK-UHFFFAOYSA-N	314.345	1.324	50	20	DDGD	
CC[C@@H](NC(=O)NNc1nccc(OC)n1)C1CCOCC1	746427007	XMRBNTSYBUORRM-LLVKDONJSA-N	309.370	1.317	50	20	DDGD	
CC(C)CCCCCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1	858693939	CAQSLIIHTLTHNY-GFCCVEGCSA-N	312.414	1.202	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cc(OC)c(OC)cc1C	751529646	ROTVBLCHKBLUIP-LBPRGKRZSA-N	324.377	1.514	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cccc(-c2nccc(C)n2)c1	756583684	QGFMCUYINAPVBS-UHFFFAOYSA-N	315.333	1.251	50	20	DDGD	
CNS(=O)(=O)[C@H]1CCCN(/C(=C\C#N)c2ccc(F)cc2)C1	750801304	LSOSJHYVVXKHTP-QDECMSLZSA-N	323.393	1.704	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cccc(Cn2cncn2)c1	858110931	NDEIYQUJUGHLGS-UHFFFAOYSA-N	317.349	1.496	50	20	DDGD	
Cc1ncc(NC(=O)NNC(=O)CCc2ccccc2O)cn1	756371881	OYXRWTQHAKOYON-UHFFFAOYSA-N	315.333	1.276	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)COc2ccccc2OC)cn1	920984377	FBGDETJOZNUEKE-UHFFFAOYSA-N	316.361	1.831	50	20	DDGD	
CCN(CC)S(=O)(=O)CC(=O)NNc1ccc(C)c(F)c1	856229730	UWIQVYOUXATODO-UHFFFAOYSA-N	317.386	1.249	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)C(=O)NNC(=S)NCC1CCC1	855091418	OUQTUSGZUNZSSJ-QMMMGPOBSA-N	309.439	1.425	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNC(=O)COc1ccc(C#N)cc1	858129914	RYTGGRPRIKVMJX-CQSZACIVSA-N	319.361	1.290	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1ccc(-n2ccnn2)cc1	756314366	FFYDDTPQCUFLEY-UHFFFAOYSA-N	314.349	1.610	50	20	DDGD	
O=C1CCCCC[C@@H](C(=O)NNC(=O)c2cccc(F)n2)C1	856426696	FGAWIZSTVRPJKV-SNVBAGLBSA-N	307.325	1.521	50	20	DDGD	
C#CC[C@@H](CCOC)NC(=O)NNc1ncnc2ccsc12	859025349	PLQSXBOLDKYUHH-JTQLQIEISA-N	319.390	1.746	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)c1cccnc1O	751397255	MFQZGGCDHSECJP-UHFFFAOYSA-N	301.302	1.017	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CCC[C@H](CO)[C@@H]2C)c1	858707075	IUEXOSSLAKCKLJ-WDEREUQCSA-N	311.407	1.504	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H](C)c1ccccc1C	929426851	OLCKWBCHNOKIKG-ZDUSSCGKSA-N	323.462	1.973	50	20	DDGD	
Cc1ccc2occ(CC(=O)NNC(=O)N3CCOCC3)c2c1	858905541	CQOOMWAFWANTBL-UHFFFAOYSA-N	317.345	1.357	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NC[C@@H]1CC(=O)N(C2CC2)C1	853972397	XGODWLKBKXMLFS-NSHDSACASA-N	320.368	1.771	50	20	DDGD	
CCn1nc(C)c(NC(=O)NNC(=O)c2c[nH]nc2C)c1C	757871853	PGKMSBJPEUBRTA-UHFFFAOYSA-N	305.342	1.018	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cccc(F)n1)[C@H]1C[C@H]2CC[C@H]1C2	853212093	KLSOSJZWXREHNO-FIQHERPVSA-N	320.368	1.989	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cc(O)ccc1Cl)C1CC1	855098294	DOQFWWUTQWXGFQ-SSDOTTSWSA-N	313.810	1.953	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccncn1)N(C)C(=O)OC(C)(C)C	854747743	SPKLVEJQBXDCLG-JTQLQIEISA-N	309.370	1.565	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@]1(C)C[C@H]1Br	856900808	PIAGKOWWAUWORU-LDYMZIIASA-N	306.204	1.536	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	755050464	ZRBYTGXFJUZIIK-MNOVXSKESA-N	312.341	1.413	50	20	DDGD	
CCn1nccc1C=NNC(=O)Nc1ccc(C(=O)O)cc1	753706576	ABUZSLPNICYMKA-UHFFFAOYSA-N	301.306	1.757	50	20	DDGD	
CCCn1cc(NC(=O)NNC(=O)c2cccc(C#N)c2)cn1	756781340	ADKSVQFHCMANMB-UHFFFAOYSA-N	312.333	1.631	50	20	DDGD	
CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NNC(=O)Cc1cc[nH]n1	755269455	QEJIHDZUWYTIHO-UBHSHLNASA-N	322.409	1.474	50	20	DDGD	
COc1ccc(OC)c(S(=O)(=O)N2CC=C(C#N)CC2)c1	759082309	USMGSILRLSOWGC-UHFFFAOYSA-N	308.359	1.548	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)c1c[nH]nc1C)OCO2	758877828	GLXNNADONYBJHX-UHFFFAOYSA-N	302.290	1.219	50	20	DDGD	
COCCN(C)NC(=O)CC(C)(C)CNC(=O)OC(C)(C)C	935910568	KQUGSNVMJPBCAY-UHFFFAOYSA-N	317.430	1.537	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2cccc(F)c2OC(F)F)N1	863151251	JITUSZOYTOGQKB-SECBINFHSA-N	315.251	1.156	50	20	DDGD	
O=C(NN=C1CCN2CCC[C@@H]12)c1ccc2c(c1)OCCO2	765573357	UKEVDVJVVWKABM-ZDUSSCGKSA-N	301.346	1.412	50	20	DDGD	
COc1ccc(CCC(=O)NN=c2cc[nH]c(C)c2)cc1OC	862508149	KTSVLKSCVFLYFP-UHFFFAOYSA-N	315.373	1.905	50	20	DDGD	
Cc1cccc(NC(=O)NNC(=O)COc2ccccc2O)n1	765272626	UWDKYLDANNFPIX-UHFFFAOYSA-N	316.317	1.327	50	20	DDGD	
C[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2cccc(B(O)O)c2)C1	868314364	SURVTYDTZDCFCY-GUYCJALGSA-N	309.174	1.590	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(Cl)c([N+](=O)[O-])c1	863146893	WQXPNIOTTRKXCJ-JTQLQIEISA-N	324.724	1.367	50	20	DDGD	
CC(C)n1cc2c(n1)[C@H](NC(=O)NNc1cccnn1)CCC2	765934768	ZWZLMQMOMAVEBI-GFCCVEGCSA-N	315.381	1.958	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cnn(CC2CC2)c1	865652459	CIXCEVQTTHRELU-UHFFFAOYSA-N	314.345	1.377	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)[C@H]2CC[C@H](C3CCC3)CC2)N1	862464010	QLHAAAFQRSVTLV-JHJVBQTASA-N	307.394	1.019	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	864483286	DJELIFAJXSVFRR-AWEZNQCLSA-N	319.405	1.660	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cccc2nc(O)[nH]c12	863100158	UVXRIJRYXKJIOQ-UHFFFAOYSA-N	324.209	1.701	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H](C)c1ccccc1O	868736746	RCTMPHBZOHMPEN-SCVCMEIPSA-N	307.350	1.209	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1ccc(F)c(C(=O)O)c1	863178057	ZIHOGEHTJJILOL-WQLSENKSSA-N	320.320	1.974	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1ccc(C(F)F)nc1	872400525	UDJMXSDIPVZHHD-UHFFFAOYSA-N	301.293	1.522	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(C(=O)NCC(C)C)cc1	878327290	FZOPIOGXBPMAHJ-UHFFFAOYSA-N	322.365	1.807	50	20	DDGD	
CCOC(=O)COc1ccc(/C=C(\C#N)S(C)(=O)=O)cc1	1116212864	LQJLEODECZTHKI-MDWZMJQESA-N	309.343	1.538	50	20	DDGD	
O=C(Cc1ccccc1CO)NNc1cnc2ccccc2n1	779841477	POOLGOQNOOLRAQ-UHFFFAOYSA-N	308.341	1.808	50	20	DDGD	
Cn1ccc(NC(=O)NC[C@]2(C)C[C@H]2Br)cc1=O	879784563	OISOPUMTKWEIQZ-SKDRFNHKSA-N	314.183	1.680	50	20	DDGD	
CC(C)(C)C[C@@H](CO)NC(=O)NNC(=O)c1cccc(C#N)c1	778652010	VLZSRGFROQGPQG-ZDUSSCGKSA-N	318.377	1.299	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc([S@@](C)=O)c(F)c1	878813944	BCZXVAOITOJHML-HXUWFJFHSA-N	303.359	1.178	50	20	DDGD	
CC(C)S(=O)(=O)c1ccccc1C(=O)NNc1cnccn1	775281101	QAUFXXUBJKKDIP-UHFFFAOYSA-N	320.374	1.416	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1c(F)ccc(F)c1F	883068111	IGLJCJXYUFJUHL-UHFFFAOYSA-N	302.252	1.292	50	20	DDGD	
C[C@H](C(=O)NNc1c(F)cc(F)cc1F)N1CCN(C)CC1	885151031	SLBCIFBQEKFNPP-SECBINFHSA-N	316.327	1.183	50	20	DDGD	
CN(NC(=O)c1ccc(Cl)cc1Br)C(N)=O	778415316	TWFUFEOJTDKABY-UHFFFAOYSA-N	306.547	1.758	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H]1COc2cc(F)ccc2C1	882399239	AICOTAWSOQGYRS-NSHDSACASA-N	307.774	1.678	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)CCc3cccs3)nc21	770973622	FSJBGEYCAHKIQZ-UHFFFAOYSA-N	318.362	1.206	50	20	DDGD	
CCCN(C(=O)/C(C#N)=C\c1cnn(C)c1)[C@@H](C)C(=O)OC	888608873	SNESJKLQQQSRTP-HKMIMPICSA-N	304.350	1.127	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H]1CCCC[C@H]1N1CCOCC1	881991482	GVXWHFFGRVJOEJ-CHWSQXEVSA-N	324.874	1.178	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc2c(c(OC)c1)O[C@H](C)C2	887140495	HUFTZDROQOGOBE-LLVKDONJSA-N	316.357	1.583	50	20	DDGD	
O=C(NNC(=O)[C@@]1(O)CCc2ccccc2C1)NC1CCCC1	786008680	XAMBTZTWUFOUGR-QGZVFWFLSA-N	317.389	1.179	50	20	DDGD	
COCCOc1ccccc1NC(=O)NNC(=O)C1CCC1	782564505	PRHXTWOMXDVLTK-UHFFFAOYSA-N	307.350	1.665	50	20	DDGD	
COC(=O)[C@](C)(CNC(=O)NNC(=O)C(C)C)c1ccccc1	787303225	AIDSHEHFPJRHSL-MRXNPFEDSA-N	321.377	1.104	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(Br)nc1	887144540	QKIKIYSLFRMUIW-UHFFFAOYSA-N	310.151	1.409	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)Cn2ccc3ccccc32)CCCOC1	781159834	PAHDQNYGJRBGOD-QGZVFWFLSA-N	315.373	1.605	50	20	DDGD	
COc1cc(C(=O)NN=C2COC[C@H]2C)cc(OC)c1OC	884376284	CXHSKKWGZMQCAW-SECBINFHSA-N	308.334	1.465	50	20	DDGD	
CCCCNC(=O)NN=C1CCCc2nc(O)c(C(N)=O)cc21	789000459	MDVYDCWIFXLSRX-UHFFFAOYSA-N	319.365	1.026	50	20	DDGD	
Cn1nccc1C(=O)NNc1nnc(-c2ccccn2)s1	788563850	UFEWQZFAILDLEL-UHFFFAOYSA-N	301.335	1.091	50	20	DDGD	
Cc1nnc(CNC(=O)NNC(=O)Cc2ccc(F)cc2)s1	780049222	XNVOCMQIYKHRFH-UHFFFAOYSA-N	323.353	1.059	50	20	DDGD	
Cc1cnc(Cl)c(NC(=O)NNC(=O)c2cnccn2)c1	787459933	UPWDGGVFGRNVCA-UHFFFAOYSA-N	306.713	1.300	50	20	DDGD	
CC(=O)NNC(=O)Cc1ccc(Br)c(Cl)c1	786687333	GNHFWWYUFFKTCC-UHFFFAOYSA-N	305.559	1.812	50	20	DDGD	
CCCc1cc(NC(=O)NNc2ncncc2Cl)n(C)n1	782063905	DVNFSARCXBZCAY-UHFFFAOYSA-N	309.761	1.965	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C1(SC)CC1	789901973	BRBGBPBJDCIDPA-UHFFFAOYSA-N	309.391	1.150	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1COCc2ccccc21	782186986	OZKBHQIMPRDUHE-UHFFFAOYSA-N	302.359	1.698	50	20	DDGD	
O=S(=O)(CBr)NCCc1cc2ccccc2[nH]1	782471758	DELLLUCSPVJXKC-UHFFFAOYSA-N	317.208	1.982	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)NNC(=O)c2cccc(N(C)C)c2)C1	780785174	WDOQTZVQGQYOTH-YPMHNXCESA-N	304.394	1.885	50	20	DDGD	
CCOC(=O)N(C)CCCC(=O)NNc1ncc(F)cc1F	897941885	CANRWAZXBKQFIO-UHFFFAOYSA-N	316.308	1.671	50	20	DDGD	
C#Cc1ccc(C=NNC(=O)[C@H]2COc3ccccc3O2)cc1	792632284	VRCWMGBMPBQKCY-QGZVFWFLSA-N	306.321	1.958	50	20	DDGD	
CCN(CC)CCC(=O)NN=C(C)c1ccc(N)c([N+](=O)[O-])c1	799107231	BOSSTYCAGMDURV-UHFFFAOYSA-N	321.381	1.749	50	20	DDGD	
C[C@@H](SCC(=O)NNC(=O)C1CC1)C(=O)OC(C)(C)C	794866882	XXNIHUBNVSBIHP-MRVPVSSYSA-N	302.396	1.007	50	20	DDGD	
Cc1cnc(COCC(=O)NNC(=O)Cc2ccccc2F)o1	796299917	MDXLMLXECNQSEI-UHFFFAOYSA-N	321.308	1.029	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCOC1)c1cccc(OCC(=O)O)c1	792653121	CUENUGNPLGMWRK-LBPRGKRZSA-N	306.318	1.027	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2cc([N+](=O)[O-])n[nH]2)o1	795823527	JWZNOMBXQPGANP-UHFFFAOYSA-N	305.254	1.058	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1cccc(N2CCC2=O)c1	790945574	INBWPLSMTRVJKF-UHFFFAOYSA-N	324.340	1.505	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnn(CCC(C)C)c1C	798304671	GPMKDMNENXEMQE-UHFFFAOYSA-N	309.439	1.533	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)Cc2cccs2)n1	793220839	RTFFQBUIXRJSSH-UHFFFAOYSA-N	304.375	1.938	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc(F)cc([N+](=O)[O-])c2)n1	794072880	RUSCJBNGBRPDQM-UHFFFAOYSA-N	318.264	1.512	50	20	DDGD	
Cc1cc[nH]c1C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1	797964477	INIKBTDULUKAMU-UHFFFAOYSA-N	315.358	1.850	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCc2ncc(C)s2)n1	792961741	YGQNVHMKIGHDBT-UHFFFAOYSA-N	305.363	1.299	50	20	DDGD	
CS(=O)(=O)C[C@@H]1CCN(C(=O)c2cccc(CCl)c2)C1	1337289972	RMLHMGABEYKNID-GFCCVEGCSA-N	315.822	1.932	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H]1CCN(Cc2ccccc2)C1	37843290	JIWPXGMXPLAFAE-CQSZACIVSA-N	316.854	1.809	50	20	DDGD	
Cc1ncnc(O)c1CCC(=O)NNC(=O)c1ccccc1F	1317860105	OKJHZUBUQCUDJY-UHFFFAOYSA-N	318.308	1.024	50	20	DDGD	
N#CC1=CCN(CC(=O)Nc2ccc(Br)cn2)CC1	272668078	PUBIMBUUOQRDFC-UHFFFAOYSA-N	321.178	1.938	50	20	DDGD	
CCOCC(C)(C)CNC(=O)NNc1nncc(N)c1Cl	1323663030	FXJYYTPJRGJISB-UHFFFAOYSA-N	316.793	1.401	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)c2ccnc(C)n2)cc1OC	1326317307	DCLKRUBUYUZXEI-UHFFFAOYSA-N	314.345	1.956	50	20	DDGD	
O=C(Cc1c[nH]c2cnccc12)NNC(=S)NCC1CCC1	1328690480	DJETXFZLQCBWAD-UHFFFAOYSA-N	317.418	1.401	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccn(CC(F)(F)F)n1	1335756842	UHMZOWAUTGSPNT-UHFFFAOYSA-N	307.276	1.190	50	20	DDGD	
C[C@@]1(CNC(=O)C2(C(=O)O)CC=CC2)C[C@H]1Br	1331344613	NWIJZAPPKMIWDY-KCJUWKMLSA-N	302.168	1.697	50	20	DDGD	
Cc1nc(N2CCN(C(=O)c3cccc(CCl)c3)CC2)n[nH]1	1336536691	MAHPMQKHXYGLEF-UHFFFAOYSA-N	319.796	1.814	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2ccc([S@@](C)=O)cc2)n[nH]1	1339942851	UYVWTPWHRQHTBK-OAQYLSRUSA-N	304.375	1.148	50	20	DDGD	
CN(CC1CC1)c1nnnn1C[C@@]1(C)C[C@H]1Br	1337713942	LWTQIBDSHADWAN-MWLCHTKSSA-N	300.204	1.693	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1F)c1cccc(Br)c1	1347471524	MAGKQIYJRJMCOF-RKDXNWHRSA-N	301.115	1.568	50	20	DDGD	
C[C@]12CN(C(=O)NNC(=O)c3cccnn3)C[C@H]1[C@H]1CC[C@@H]2C1	1343968226	YVQLSRWGWBOJLK-MEQWQQMJSA-N	315.377	1.199	50	20	DDGD	
Cn1ccc(NNC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)n1	1344049705	RTCUYOOHCBNXLR-SECBINFHSA-N	305.304	1.138	50	20	DDGD	
CC1CC(NC(=O)C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	1351173087	BKUQUUJXIPQJCJ-CTQPKBKOSA-N	303.200	1.191	50	20	DDGD	
CO[C@](C)(C(=O)O)C(=O)NNc1cc(Cl)cc(Cl)c1	1604463228	CBNYZGJCBRJNGB-NSHDSACASA-N	307.133	1.926	50	20	DDGD	
Cc1c(NNC(=O)CCCC(=O)NC(C)C)cccc1C(=O)O	1600052367	JFVABGVQALZZOE-UHFFFAOYSA-N	321.377	1.831	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cncc(C(=O)O)c2)c(C)o1	1600095161	DTIWAWNIYLGVOJ-UHFFFAOYSA-N	318.289	1.456	50	20	DDGD	
CC1(C)COC[C@@H]1NC(=O)NNc1ccc(C(=O)O)cc1F	1609818387	IELSMJLNTNQPEL-NSHDSACASA-N	311.313	1.575	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C[C@](C)(O)C(=O)O)C1	1604370469	YUFNJFLZPCCOLI-FZMZJTMJSA-N	303.475	1.918	50	20	DDGD	
O=C(O)CC1(C(=O)NNc2ccc(Cl)cn2)CCOCC1	1606071968	RRJVBOYANHPUPH-UHFFFAOYSA-N	313.741	1.450	50	20	DDGD	
CN1CCN(C(=O)C2CCC(Cl)CC2)C[C@@H](C(=O)O)C1	1606229420	XVZOMBRDRVVROH-CXQJBGSLSA-N	302.802	1.259	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2ncc3n2CCCC3)c1	1602450534	ZMPSXKPOWBTUMP-UHFFFAOYSA-N	300.318	1.675	50	20	DDGD	
Cc1ccc([C@@H](C)C(=O)NNc2ccc(-c3nn[nH]n3)cn2)o1	1605829886	OBADRBUGPQXEOO-SECBINFHSA-N	313.321	1.410	50	20	DDGD	
Cc1c(NNC(=O)c2ccc([N+](=O)[O-])cn2)cccc1C(=O)O	1600054311	SPWJQXIGUXOXMK-UHFFFAOYSA-N	316.273	1.753	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1cc(Cl)cc(C(=O)O)c1	1601247849	GWZWPYNDJBQGQM-UHFFFAOYSA-N	311.725	1.991	50	20	DDGD	
CC1(C)CC(=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)C(C)(C)O1	1549316312	FPRNNYMZMDAUTH-RYUDHWBXSA-N	309.410	1.299	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)c1cnn([C@@H]2CCCNC2)c1	1580739685	LADMEEUDECYQKX-GFCCVEGCSA-N	320.784	1.613	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)c1ccc(-c2nn[nH]n2)cc1	1582561967	DCYXTVOAQBZTTG-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
O=C(O)c1cccc(C(=O)NNc2ccc(-n3ccnc3)nn2)c1	1595241290	NEYZATDEBREMKL-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)[C@H]1CC[C@H]1C(=O)O	1594685438	NOYYPJUHLDZZNQ-QWHCGFSZSA-N	304.346	1.268	50	20	DDGD	
CN(C)C(=O)NN=Cc1ccc(F)c(-c2nn[nH]n2)c1Cl	1591003120	DAPVXFJCJQGMMU-UHFFFAOYSA-N	311.708	1.264	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](C)c1ccc(OCC(=O)O)cc1	1596863659	RDDJJPXJGJEBSV-KWJWQAOWSA-N	318.329	1.771	50	20	DDGD	
CC[C@@H](C)CONC(=O)NNc1cccc(-c2nn[nH]n2)c1	1590410452	OFAZLGDSSAYABV-SECBINFHSA-N	305.342	1.471	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@H]1CC[C@@H](C(=O)O)C1	1594710922	FIBILLUHXODUPG-WDEREUQCSA-N	308.309	1.017	50	20	DDGD	
CNC(=O)NN=Cc1ccc(-c2ccc(O)c(C(=O)O)c2)o1	1776038910	RWVTVMHCZGATNP-UHFFFAOYSA-N	303.274	1.613	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=C(C)c1cc(C(=O)O)ccc1C	1776102198	JMAXDBIYWZRJST-UONOGXRCSA-N	304.346	1.958	50	20	DDGD	
C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Cl)[C@H]2C1	1787449060	GNEPUCYYIOQHEQ-MRBYEJRBSA-N	318.776	1.077	50	20	DDGD	
COC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)C	1795449582	BQQPSXCHOSRHBT-YVECIDJPSA-N	316.829	1.534	50	20	DDGD	
CC(=O)c1cccc(S(=O)(=O)NNC(=O)c2ccccc2)c1	16123725	ZESHVAAWZKIORX-UHFFFAOYSA-N	318.354	1.513	50	20	DDGD	
C[C@H]1CCC[C@@H](C)N1CC(=O)NNC(=O)c1cccc(C#N)c1	165751468	PKWFAHGKIDKTIH-BETUJISGSA-N	314.389	1.582	50	20	DDGD	
CC(=O)NC1(C(=O)NNc2cccc(C#N)c2)CCCCC1	152460670	XLMAADXHFNMCAQ-UHFFFAOYSA-N	300.362	1.840	50	20	DDGD	
Cc1cc(C)cc(NC(=O)NNc2ccc(C(N)=O)nn2)c1	152962375	ZDZAJDLRZJVEOT-UHFFFAOYSA-N	300.322	1.341	50	20	DDGD	
O=C(CCn1cnc2ccccc21)NNc1ncc(F)cn1	157570132	ICXDCYOQFVFYOA-UHFFFAOYSA-N	300.297	1.499	50	20	DDGD	
COc1ccc(NNC(=O)NCC[S@](=O)C(C)(C)C)nc1	157320328	DMIBGTXUHMZKMS-OAQYLSRUSA-N	314.411	1.264	50	20	DDGD	
CCc1noc2ncc(C(=O)NNc3ccc(OC)cn3)cc12	159083550	REVKUEGDAKKLMV-UHFFFAOYSA-N	313.317	1.946	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1cc(OC)c(O)c(OC)c1	208691433	BIHPUZGAULTEKA-GHXNOFRVSA-N	320.345	1.469	50	20	DDGD	
O=C(COC(=O)[C@@H]1CC=CCC1)NNC(=O)c1ccccc1	6291005	FKMALHQBPMWTLU-CYBMUJFWSA-N	302.330	1.347	50	20	DDGD	
O=C(CCOc1ccccc1F)NNC(=O)Cc1cccnc1	103456848	LTZQFLMVINNDCX-UHFFFAOYSA-N	317.320	1.380	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(-c3ccccc3)[nH]2)[nH]n1	178008204	CCTWVPYGSQLLOP-UHFFFAOYSA-N	309.329	1.788	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N(C)C)ccc1NC(=O)CC(C)C	173318595	NGCPJJJVHCJFQY-UHFFFAOYSA-N	320.393	1.896	50	20	DDGD	
CN(C)N(C(=O)c1cc(F)cc(F)c1)[C@H]1CCS(=O)(=O)C1	58584395	WMCJFFRWTQRKBK-LBPRGKRZSA-N	318.345	1.071	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(Cc2c(C)noc2C)CC1	178956559	NOLCDJAXSQTEIA-SDNWHVSQSA-N	318.377	1.380	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCOc2ccccc2)n1	174474536	GFYAZBZZGWMWDF-UHFFFAOYSA-N	302.334	1.706	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCc1cccnc1	55083903	PFSWPQJAMXWXMQ-UHFFFAOYSA-N	314.345	1.163	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1c(C)nn2c(C)cc(C)nc12	64882809	WNDSSTUWOPVWLA-UHFFFAOYSA-N	318.381	1.399	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](C)Cc1ccc(C)cc1C	66716787	VFGQNRWOPSSVES-ZDUSSCGKSA-N	307.394	1.601	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)NC(=O)NNc1c(F)cccc1F	172477797	VCBVCVPDPBQWJX-ZETCQYMHSA-N	307.322	1.024	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CC2CCOCC2)c(C)c1	117411937	BGXWAFJYJUDZHE-UHFFFAOYSA-N	319.405	1.679	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNc1ccc(Cl)nn1	118499623	MXAJXKFZHFQCPE-UHFFFAOYSA-N	303.709	1.524	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)cn1	117678349	ZIZOWMRDHQYGRM-NWDGAFQWSA-N	320.299	1.263	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCc2ccccc2OC)n1	174496513	RFQAYZNCNNMBTN-UHFFFAOYSA-N	316.361	1.878	50	20	DDGD	
CC(=O)NNC(=O)c1cccc(I)c1C	122747803	SMZOHVDBBUDNFG-UHFFFAOYSA-N	318.114	1.381	50	20	DDGD	
CSC[C@@H](CCO)NC(=O)/C(C#N)=C\c1ccc(F)cc1	183616015	CGFCKAZRRFLCAL-ICDLMJIXSA-N	308.378	1.963	50	20	DDGD	
COC(=O)[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)NC2CC2)cc1	123379273	QMENSTANDQWYMB-KWJWQAOWSA-N	314.341	1.812	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1Cl	124795034	JJCMFEHFMSQZDA-VIFPVBQESA-N	311.769	1.780	50	20	DDGD	
Cn1cc(NC(=O)NNC(=O)Cc2ccc3ccccc3c2)cn1	183226658	DMZGVJBKCRXGIL-UHFFFAOYSA-N	323.356	1.969	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)C[C@H](C)O)c1C	126796204	RZNOJNGIRBLYRK-LWLPBDFMSA-N	319.405	1.498	50	20	DDGD	
O=C(NCc1cccnc1)NNC(=O)c1ccc(Cl)cc1	73117441	YQPMWHPCCLUUFH-UHFFFAOYSA-N	304.737	1.879	50	20	DDGD	
Cc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)N1CCOCC1	76965605	PHCRCJKIMOSQEO-UONOGXRCSA-N	303.362	1.172	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc3nc(C)oc3c2)[nH]n1	183534124	QDLFGSKFZVQQAC-UHFFFAOYSA-N	314.305	1.634	50	20	DDGD	
CN1C[C@H](C(=O)NNc2cccc(Br)c2)CC1=O	127076795	VMBAVLLBAWRXEM-MRVPVSSYSA-N	312.167	1.371	50	20	DDGD	
C[C@@H](C#N)CNC(=O)NNC(=O)c1cccc(OC(F)F)c1	182867925	UIBYIVOUSQXKTM-QMMMGPOBSA-N	312.276	1.392	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCc1ccc(C(N)=O)o1	183436939	HHPPRPOSKPGQDR-XFFZJAGNSA-N	313.288	1.741	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)c(F)c1)NNc1ccccn1	181911127	NMGIBAZPPLSODX-UHFFFAOYSA-N	306.272	1.233	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNc2nccnc2OC)cc1	132070612	MWSZUJDXVZOFAG-NSHDSACASA-N	316.361	1.816	50	20	DDGD	
C[C@H](NC(=O)C(C)(C)C)C(=O)NNc1ccccc1[N+](=O)[O-]	73765485	SMNUKBMBCFQQKO-VIFPVBQESA-N	308.338	1.589	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CC[C@@H]1CCCO1	46141653	JLAHQKHWHAEBNM-NEPJUHHUSA-N	324.352	1.700	50	20	DDGD	
O=C(CCn1cncn1)NNc1ccc(OC(F)(F)F)cc1	134287300	MKUNJIMXDUBNOQ-UHFFFAOYSA-N	315.255	1.710	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Cc1cc(F)ccc1F	80032826	BAMJYFSELAYPFR-UHFFFAOYSA-N	305.284	1.292	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)CC1CCCC1	195208271	UVJQYJAYFGJUDX-ZDUSSCGKSA-N	309.410	1.505	50	20	DDGD	
O=C(NNC(=S)NCC(F)(F)F)c1ccc(Cl)nc1	49519377	IMEAFCXHFJKVIX-UHFFFAOYSA-N	312.704	1.406	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2ccc(C(F)(F)F)cn2)c[nH]1	132281814	BYQJNDQRIKAUGJ-UHFFFAOYSA-N	312.251	1.854	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@H]2CCC[C@H](C)CC2)n1	190925780	IVHBMUQRJMMBON-FZMZJTMJSA-N	321.425	1.799	50	20	DDGD	
CCOc1cc(/C=C(\C#N)S(=O)(=O)N(C)C)ccc1OC	195318730	ATUUGLXWQGUOMR-XYOKQWHBSA-N	310.375	1.850	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	194937330	FZJSGHVWHQGBSV-CYBMUJFWSA-N	322.384	1.340	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1c(F)cccc1Br	190063484	YEXMVLHXILZBDJ-UHFFFAOYSA-N	319.130	1.120	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2COCCN2C2CCCC2)cc1	193635079	NSHIFALEXWQQNE-INIZCTEOSA-N	314.389	1.645	50	20	DDGD	
CCOC1CC(CCNC(=O)NNC(=O)c2ccccc2)C1	191691707	NVRWWPNLSFLEAP-UHFFFAOYSA-N	305.378	1.836	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1ccc(OCC(F)F)nc1	90090733	JOPNRGCFLLWUGD-UHFFFAOYSA-N	310.260	1.128	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)c2cc([N+](=O)[O-])ccc2O)cc1	254294314	ZASFPGIDIGAIKL-UHFFFAOYSA-N	310.269	1.936	50	20	DDGD	
CCC[C@](C)(O)CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	266530384	KEKOJADYOUPZMP-VRXKTSEUSA-N	314.389	1.779	50	20	DDGD	
C[C@H](OC1CCCCCC1)C(=O)NNc1ccc(C(N)=O)nn1	268710181	WYGPAENDCLAOFP-JTQLQIEISA-N	321.381	1.147	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)CNc2ccc(C)cc2C)O1	268227269	KFRHOCGOWTUJLM-DZGCQCFKSA-N	319.405	1.820	50	20	DDGD	
O=C(NNc1ccc(F)cc1)c1ccnc(N2CCCC2)n1	265853287	XROLRFSXKBRZPE-UHFFFAOYSA-N	301.325	1.973	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)O1	268251202	BUKQBIJRETXAAJ-MISXGVKJSA-N	324.352	1.698	50	20	DDGD	
COC1CCN(C(=O)NNC(=O)C(C)(C)c2ccccc2)CC1	264659000	KHKLNKBIKTXWTI-UHFFFAOYSA-N	319.405	1.816	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)Cc2cccnc2)CCOCC1	266757053	RTRSTSMJIOYYFX-UHFFFAOYSA-N	320.393	1.161	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1	276709138	JVRYJQVGXVUMHM-CYBMUJFWSA-N	302.378	1.482	50	20	DDGD	
CN(CC1(O)CCOCC1)/C(=C/C#N)c1cccc([N+](=O)[O-])c1	275573680	PDLGFXKNMXJGEX-PJQLUOCWSA-N	317.345	1.933	50	20	DDGD	
COc1cccc(NNC(=O)NCCN(C)CC(F)(F)F)n1	272562159	NMRYBQIDYZUPMR-UHFFFAOYSA-N	321.303	1.210	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12	271496885	KRSZHRRZUUKNEH-YPDDLIOESA-N	313.357	1.631	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2[C@H](C)[C@H](OC)C2(C)C)nc1	276045689	YGUPOCYUFSTPJW-BIMULSAOSA-N	308.382	1.776	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc(C)ccc1O	276576066	NVUIHGVZKWMHJF-UHFFFAOYSA-N	310.350	1.251	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1cc(C)cc(F)c1	273418506	IVYYDTFGYSXLPH-SNVBAGLBSA-N	313.329	1.338	50	20	DDGD	
C[C@H](CNC(=O)OC(C)(C)C)NC(=O)NNc1ncccn1	274449729	SAMABZCXQDDMFG-SECBINFHSA-N	310.358	1.016	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	377029837	NEEQQLJLLSMNCK-BGZDPUMWSA-N	309.288	1.035	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C[C@@H]1CCC(=O)[C@H]1C	280591036	SYLGWCWPYSUWCC-QWRGUYRKSA-N	304.346	1.462	50	20	DDGD	
COCC(C)(C)CCCNC(=O)NNc1nc2ccccn2n1	287871772	DUZYMZONMSWUFA-UHFFFAOYSA-N	320.397	1.808	50	20	DDGD	
CC(C)(C#N)C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	283673177	GNRINEDAIZRNOA-UHFFFAOYSA-N	312.276	1.990	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNC(=O)CC2CC2)cc1Cl	287939297	HPVGDJQONDRINJ-UHFFFAOYSA-N	323.780	1.788	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)COc1ccccc1OC	284923480	IQOMFQIDKTYEEP-UHFFFAOYSA-N	317.345	1.426	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)Nc1cccn(C)c1=O	806293487	SDDUDOGJYQXYEA-UHFFFAOYSA-N	317.305	1.751	50	20	DDGD	
CC[C@H]1[C@@H](C)CCN1CC(=O)NNC(=O)c1ccc(F)cc1	299196890	DXGBLXPKHZGDRJ-FZMZJTMJSA-N	307.369	1.707	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)Nc2ccc(Cl)cc2)CN1	802021685	VRINVZDECVTBSD-MRVPVSSYSA-N	310.741	1.019	50	20	DDGD	
CC(C)(C)[C@H](NC(N)=O)C(=O)NNc1cc(F)c(F)cc1F	298011069	BCMXLLUXSBOWGJ-SNVBAGLBSA-N	318.299	1.630	50	20	DDGD	
CC[C@H](C)[C@H](C)NC(=O)NNC(=O)[C@H]1COc2ccccc2O1	299167061	NFTGKAAKOMRVAX-COPLHBTASA-N	321.377	1.591	50	20	DDGD	
Cc1ccc(-n2[nH]c(C(=O)NNC(=O)CC3CC3)cc2=O)cc1	294081200	HVSKSKHFFLXACX-UHFFFAOYSA-N	314.345	1.035	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CCn2cccn2)cc1	802059342	YMXUWISBIYVXBI-UHFFFAOYSA-N	303.322	1.135	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1c(F)ccc(O)c1F	809672623	FVAZAAZBBAPSAO-UHFFFAOYSA-N	324.258	1.813	50	20	DDGD	
C[S@@](=O)Cc1cccc(C(=O)NNc2ncccc2F)c1	804220347	VZVUPLMQKWJAAS-OAQYLSRUSA-N	307.350	1.856	50	20	DDGD	
Cc1cc(NC(=O)NNc2ncccc2F)ccc1C(N)=O	806258719	ZSHOLRBRUSMASO-UHFFFAOYSA-N	303.297	1.777	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1cccc(Cl)n1)C(C)C	293788287	WPXJQYXRFYDLFW-JTQLQIEISA-N	300.746	1.559	50	20	DDGD	
Cn1ncc(CCCNC(=O)NNc2cc(Cl)ccn2)n1	297835753	RRMAHGMPLUMNNM-UHFFFAOYSA-N	309.761	1.122	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)[C@@H](O)C1CCCCC1	804957835	CBWUZRDAAXXAAA-AWEZNQCLSA-N	316.365	1.047	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC[C@@H]2CCCOC2)cc1	298964219	YMIDKGPLPAKCOY-ZDUSSCGKSA-N	321.377	1.131	50	20	DDGD	
CS(=O)(=O)C1(CNC(=O)NNc2ccccn2)CCCC1	805840458	OQULQDXJCVKXRR-UHFFFAOYSA-N	312.395	1.065	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)nn1	802001213	ZFBGVVBVIMZESM-UHFFFAOYSA-N	323.259	1.230	50	20	DDGD	
Cc1nc2c(C(=O)NNC(=O)[C@@H]3CCCCO3)cccc2o1	295300396	FBRNGPUQESMRLR-LBPRGKRZSA-N	303.318	1.466	50	20	DDGD	
CC(C)(C)Oc1ccc(C(=O)NNc2ncc(F)cn2)nc1	815881421	NEUNDYUWYDRWPL-UHFFFAOYSA-N	305.313	1.945	50	20	DDGD	
O=C(O)C[C@@H]1CCCN(C(=O)NNC(=O)c2ccccc2)C1	819364884	FSTHYMVVDCFJNQ-NSHDSACASA-N	305.334	1.228	50	20	DDGD	
COc1ccc(COCC(=O)NNc2ncncc2F)cc1	817070070	DOUSMWXIHDCMKD-UHFFFAOYSA-N	306.297	1.284	50	20	DDGD	
O=C(Cc1cncc(O)c1)NNC(=O)c1c[nH]c2ccccc12	816830243	XFMBAXYVSMGQKJ-UHFFFAOYSA-N	310.313	1.272	50	20	DDGD	
CC(C)CN1C(=O)C(=NNC(=O)c2cnccn2)c2ccccc21	818284116	GVZLIMUJCBMSML-UHFFFAOYSA-N	323.356	1.613	50	20	DDGD	
CC1(C)COc2ccc(C(=O)NNc3ncnc4[nH]cnc34)cc21	810423911	FRYDQYDANMGIBA-UHFFFAOYSA-N	324.344	1.780	50	20	DDGD	
CC(C)S(=O)(=O)CCNC(=O)NNc1ccc(F)cc1	812436029	ABCITCVUTWRQIZ-UHFFFAOYSA-N	303.359	1.275	50	20	DDGD	
CC(C)(C)CCS(=O)(=O)NNC(=O)c1cccc(C#N)c1	811682631	CFISNLFAFRYYIH-UHFFFAOYSA-N	309.391	1.559	50	20	DDGD	
COc1ccc(C=NNC(=O)Cc2cc[nH]n2)c(Cl)c1OC	814954256	CETWFGQDHFKEBY-UHFFFAOYSA-N	322.752	1.773	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H]1C[C@H](c2ccccc2)OC1=O	813426284	UQJADZGWDDTJQL-VXGBXAGGSA-N	305.334	1.031	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)CNc1cccc(OC)c1	812456183	RKHGVPFGVLTRPF-NWDGAFQWSA-N	323.393	1.173	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ncc(-c2ccccc2)s1	811647511	PLIHHJLKEKELEG-UHFFFAOYSA-N	318.358	1.616	50	20	DDGD	
O=C(O)CCNC(=O)NNC(=O)c1ccc(Cl)cc1Cl	819492476	KLPOYWNONGFPRQ-UHFFFAOYSA-N	320.132	1.412	50	20	DDGD	
O=C(NN=C1CC(c2cc(F)cc(F)c2)C1)C(=O)NC1CC1	814778135	RXFQEDZYCHLWNE-UHFFFAOYSA-N	307.300	1.593	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@@H]1CCc2nncn2C1	816663976	QDIWKOLFRICGLZ-LLVKDONJSA-N	313.365	1.041	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cn(C)nc1C1CC1	813543469	BEZJZMUTVUZGKW-UHFFFAOYSA-N	300.366	1.968	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)COc2ccc(F)cc2)n1C	811633442	OBAZWPIYEBVXIG-UHFFFAOYSA-N	319.340	1.154	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)CCc1ccccc1O	812501928	CSMRQAMLKVQAKN-NEPJUHHUSA-N	308.378	1.391	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)NOC/C=C\Cl	812704808	RTXLQVPAJLHHKA-KTAJNNJTSA-N	308.725	1.838	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H](C)c2nc(C)no2)cc1	726277448	BQUZBMOCZZRTKU-VIFPVBQESA-N	317.349	1.646	50	20	DDGD	
O=C(CCc1ccco1)NNC(=O)c1ccc(C(=O)O)cc1	821377784	VSDGIJYABRRPJA-UHFFFAOYSA-N	302.286	1.372	50	20	DDGD	
CN(C)[C@H](CNC(=O)/C(C#N)=C\c1cnn(C)c1)c1ccco1	490970500	HEMOIGBBYKKCSU-SVSAJMPUSA-N	313.361	1.339	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCc2c(cccc2C(C)C)C1	829159167	MDMLKOVUNIGQKD-UHFFFAOYSA-N	317.433	1.972	50	20	DDGD	
COCCN(C)NC(=O)CC1CCN(CC(F)(F)F)CC1	822843831	UHHDAEKULRFCLX-UHFFFAOYSA-N	311.348	1.260	50	20	DDGD	
O=C(CS(=O)(=O)C1CC1)NNc1cc(F)c(F)c(F)c1	827525900	IXVBXCYLUWAFBB-UHFFFAOYSA-N	308.281	1.124	50	20	DDGD	
Cc1ccnc(NNC(=O)Cc2cccc(-c3nn[nH]n3)c2)c1	822374064	JPPBGZNOODLWRA-UHFFFAOYSA-N	309.333	1.256	50	20	DDGD	
CCN(CCO)NC(=O)[C@H](C)Oc1ccc2ccccc2c1	823879861	UWCVTPUKQALUPK-ZDUSSCGKSA-N	302.374	1.953	50	20	DDGD	
Cc1cccc2c1NC(=O)C2=NNC(=O)c1cccc(C#N)c1	728785192	YHBLRYZPIMOSJV-UHFFFAOYSA-N	304.309	1.953	50	20	DDGD	
COc1cccc2c1OC[C@@H](NC(=O)NNC(=O)C(C)(C)C)C2	728398178	BDLRKAZLQOVSLK-NSHDSACASA-N	321.377	1.375	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)CN(C)CC(C)(C)C)C1CC1	824328773	YCIABUHZJKALPI-SNVBAGLBSA-N	300.472	1.258	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)/C=C\[C@@H]2CCOC2)cc1	492951833	GGRCKNIMXVPTAC-IGVIJBNESA-N	305.334	1.441	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)[C@@H]2CCCCO2)c(C)c1	820935646	CFMOOJKCXLYPGV-AWEZNQCLSA-N	306.362	1.263	50	20	DDGD	
C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)NNc1ncccn1	824205682	JARLFJCKMYMJRR-SNVBAGLBSA-N	324.385	1.358	50	20	DDGD	
COC(=O)NN=C1CCOC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C	495447145	CTXSUFLRGNKHCH-ZJUUUORDSA-N	315.370	1.648	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCc2cccc(F)n2)cc(C#N)n1C	491053406	YJAJRIIDZXCRTR-MLPAPPSSSA-N	323.331	1.963	50	20	DDGD	
COc1ccc(NNC(=O)Cc2ccc(-c3nn[nH]n3)cc2)cc1	821835763	RDDMVABRRLVXPC-UHFFFAOYSA-N	324.344	1.561	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1CCC2(CCCCC2)C1	584952131	MZUZIGLDANTCJE-UHFFFAOYSA-N	305.158	1.302	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1COc2c(cccc2OC)C1	828033234	HVLMGJXLJLPSKQ-SRXBQZRASA-N	302.330	1.559	50	20	DDGD	
CCN(CCO)NC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F	823889473	XYQGETAFEAZJOF-UHFFFAOYSA-N	303.265	1.140	50	20	DDGD	
CN1CC[C@@H](C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)C1	729281844	QEGFKKLGFIEGDK-GNFNDJEDSA-N	319.449	1.692	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=S)Nc1ccc(Cl)nc1	728798643	KEUHSODGWXXGRJ-UHFFFAOYSA-N	321.793	1.690	50	20	DDGD	
Cc1csc(-c2cccc(C(=O)N3CC[C@H](B(O)O)C3)c2)n1	585070457	XFXRWGRHXKSGIP-ZDUSSCGKSA-N	316.191	1.807	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)ncn3C)n1	490781674	BRZWUCJSSDCNMQ-GHXNOFRVSA-N	306.329	1.852	50	20	DDGD	
Cc1ccc([C@H]2CCCN2C(=O)c2ccc(B(O)O)c(F)c2)o1	584949271	FBZOZRJYHDENRY-CQSZACIVSA-N	317.125	1.384	50	20	DDGD	
CC[C@@H]1C[C@H](c2nc(-c3cccc(B(O)O)c3)no2)CCO1	585053663	NYSQOGYHQUIDCH-DGCLKSJQSA-N	302.139	1.089	50	20	DDGD	
O=C(NC1CC2(CCCCC2)C1)c1ccc(B(O)O)c(F)c1	585005635	KDMYPMAUPXNLAU-UHFFFAOYSA-N	305.158	1.348	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)c2nonc2C)cc1	736667854	WQVJMOBKFSRQPM-UHFFFAOYSA-N	321.362	1.408	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc2c(C=O)c[nH]c2c1	900001814	WWRPQHDMSRPDHI-UHFFFAOYSA-N	318.402	1.888	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cc(F)cc([N+](=O)[O-])c1	731457598	ZWKOAYGHEMUDIQ-UHFFFAOYSA-N	309.175	1.447	50	20	DDGD	
C[C@]1(C(=O)N[C@H]2CCCC3(C2)OCCO3)C[C@@H]1Br	907276652	KNBGQAOIXMUEHN-NHCYSSNCSA-N	318.211	1.962	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCCNC(=O)O)c1ccccc1	736850957	ZBQTVAIMNYBWMX-GFCCVEGCSA-N	307.350	1.375	50	20	DDGD	
C[C@@H](NCc1cccc(B(O)O)c1)[C@@H]1OCCc2sccc21	585044106	ZTEVBOSQLIZDFL-BZNIZROVSA-N	317.219	1.220	50	20	DDGD	
CCC(C)(C)OCC(=O)NNC(=O)c1cncc(NC(C)=O)c1	839710031	PGVUSWFEGYKSIB-UHFFFAOYSA-N	322.365	1.006	50	20	DDGD	
C[C@H](N(C)CC(=O)NNC(=O)c1ccc(F)cc1)C1(C)CC1	839502190	JZFGUBVUZPCESY-NSHDSACASA-N	307.369	1.707	50	20	DDGD	
C[C@H](NCc1ccccc1B(O)O)[C@@H](C)Oc1ccccc1F	585030148	WZXIHPXJXBQVPX-QWHCGFSZSA-N	317.169	1.451	50	20	DDGD	
CC(C)(C)C(=O)C(=O)NNC(=O)Cn1ccc2ccccc21	733934044	FDPUMBFKGSVXMX-UHFFFAOYSA-N	301.346	1.404	50	20	DDGD	
CC(CS(=O)(=O)c1ccccc1)=NNC(=O)c1ccccn1	735409385	UIMJYNRTUOAIFG-UHFFFAOYSA-N	317.370	1.661	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccccc1Cl)[C@@H]1CCCCO1	833779530	UKQQVBQXNJWZOV-NWDGAFQWSA-N	312.753	1.090	50	20	DDGD	
C[C@@H](CCOCc1ccccc1)NCc1cccc(B(O)O)c1	585041004	LQEIHMMCLPHEIO-HNNXBMFYSA-N	313.206	1.451	50	20	DDGD	
CCCN(CCC)C(=O)CCCC(=O)NNC(=O)NCC	732754653	IMFHHURNRCSBJE-UHFFFAOYSA-N	300.403	1.156	50	20	DDGD	
O=C(NNc1c(F)cccc1F)c1ccc(-n2ccnc2)nn1	735692965	UPWMKPSBLBWZBQ-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
C#CCCCC(=O)NN=Cc1ccccc1O[C@@H](C)C(=O)OC	901326915	WEKAFMGSXSJXCJ-ZDUSSCGKSA-N	316.357	1.881	50	20	DDGD	
COc1ccc(NNC(=O)NCCOCC2CCCC2)nc1	836671828	HVDSTJIYTJMDQH-UHFFFAOYSA-N	308.382	1.923	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)CCOc2ccccc2)CCCCO1	837376273	BZRVBFGPVOVUDC-INIZCTEOSA-N	306.362	1.562	50	20	DDGD	
COc1ccc(O[C@H](C)CNC(=O)NNc2ccncn2)cc1	836331264	DVIYKOIZLIARBP-LLVKDONJSA-N	317.349	1.579	50	20	DDGD	
O=C(CSC[C@@H]1CCCCO1)NNC(=O)[C@@H]1CCCCO1	833250054	BIXMLECEHJZASD-RYUDHWBXSA-N	316.423	1.005	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cnn(C)c2)oc2c(F)cccc12	735445493	XTDVHHXBGAUZQX-UHFFFAOYSA-N	316.292	1.689	50	20	DDGD	
O=C(c1c2c(nc3ccccc13)CCC2)N1CC[C@@H](B(O)O)C1	585070520	YVDBVLBJEALDGO-LLVKDONJSA-N	310.162	1.412	50	20	DDGD	
Cc1ccccc1[C@H](NC(=O)c1cccc(B(O)O)c1)C(C)C	584945886	VJUNYRXUWCYGAK-QGZVFWFLSA-N	311.190	1.802	50	20	DDGD	
CC(C)C[C@@H](CN1CCCC1)NC(=O)NNC(=O)C(C)(C)C	836291765	IBFQRMRDESHKFG-ZDUSSCGKSA-N	312.458	1.873	50	20	DDGD	
CN(C)CCn1nccc1NC(=O)NNc1ncccc1Cl	836700297	OLINOYWYPSXBOF-UHFFFAOYSA-N	323.788	1.642	50	20	DDGD	
O=C(CCc1cccc(Cl)c1)NNC(=O)[C@@H]1CCCCO1	833256145	LCXQUMPJKRBRNS-ZDUSSCGKSA-N	310.781	1.989	50	20	DDGD	
O=C1Nc2ccccc2[C@@]12CCN(S(=O)(=O)CCl)C2	831159331	TWHCNMVDGUXLPQ-LBPRGKRZSA-N	300.767	1.108	50	20	DDGD	
NCCCCCCNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	831248352	GNSUFFQRIVCDMD-UHFFFAOYSA-N	323.353	1.058	50	20	DDGD	
O=C(O)NCCC(=O)NNc1ccc(OC(F)(F)F)cc1	832599158	DICBETWGMSEIBR-UHFFFAOYSA-N	307.228	1.686	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1F)NOC1CCC1	836569700	IWFJAEYELRXSHM-UHFFFAOYSA-N	301.705	1.907	50	20	DDGD	
C[C@@H]1CN(C[C@@H](C)C(=O)NN=Cc2ccc(C#N)o2)C[C@@H](C)O1	743429282	IVAFOCNGTCAYQV-JHJVBQTASA-N	318.377	1.347	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C1CCOC2(CCC2)C1	834952966	RMNYINMCOPVYAN-UHFFFAOYSA-N	305.334	1.215	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCCC1=NNC(=O)CC(F)(F)F	741462148	YOKZJBVPHZBUIY-QMMMGPOBSA-N	300.302	1.398	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1ccnc(F)c1	748719051	UYORAXXYNFLOSQ-UHFFFAOYSA-N	308.338	1.469	50	20	DDGD	
COCCN(C)NC(=O)c1nc2ccccc2nc1C1CC1	837626241	GNNFABZIIIIRTK-UHFFFAOYSA-N	300.362	1.730	50	20	DDGD	
Cc1ccc(Br)c(C(=O)NN(C)C[C@@H](C)O)c1	910165734	LVOKZXZPUMSKSZ-SECBINFHSA-N	301.184	1.715	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1cc(Cl)ccc1O	748260422	SPKMJEGLZMCJNN-JTQLQIEISA-N	314.769	1.937	50	20	DDGD	
N#CSCCCNS(=O)(=O)c1ccc(Cl)nc1F	917007486	PONMUULFEHEBQL-UHFFFAOYSA-N	309.775	1.757	50	20	DDGD	
C[C@H]1CCCN(CC(=O)NNC(=O)c2cccc(C#N)c2)CC1	744397145	BTZFNLGTVGIZPZ-ZDUSSCGKSA-N	314.389	1.441	50	20	DDGD	
COc1cc(NC(=O)c2ccccc2)c(C(=O)NN)cc1OC	747357211	MBMPNCGXOCATLT-UHFFFAOYSA-N	315.329	1.560	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)NCC1(CO)COC1	747525592	DGCBWAMZQFSMQA-LLVKDONJSA-N	305.465	1.826	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H](C)C2CCCC2)c1O	749529542	IWNJJGVNLSFXQF-JTQLQIEISA-N	306.362	1.988	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2oc(C)cc2C)cc1OC	749307576	AFONYRIHFCNTHM-UHFFFAOYSA-N	318.329	1.988	50	20	DDGD	
CO[C@](C)(C1CC1)[C@@H](C)NC(=O)NNc1ncncc1Cl	841590557	OTLLCUWDBXCDOJ-OQPBUACISA-N	313.789	1.960	50	20	DDGD	
CC(=NNC(=O)c1ccc(N)cc1)c1cccc(-n2cnnn2)c1	916263518	IAHGWPXDTDWIMW-UHFFFAOYSA-N	321.344	1.399	50	20	DDGD	
CC(=O)NNC(=O)c1ccc(OCc2ccccc2C#N)cc1	915291685	VQZOLKWMLBBBQE-UHFFFAOYSA-N	309.325	1.918	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(F)cc(Br)c1	910171160	UIRAHMQYPOIECL-ZETCQYMHSA-N	305.147	1.546	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=C1C[C@H](C)n2ncnc21	841614252	IYUZAYOBFNDTML-RYUDHWBXSA-N	304.398	1.185	50	20	DDGD	
COCC1(CC(=O)NNC(=O)CCc2ccccc2O)CC1	844133359	WNHYRDJGLWMRSF-UHFFFAOYSA-N	306.362	1.289	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1F)c1ccc2nnnn2c1	748221119	UZDOBTFEZYCMIH-UHFFFAOYSA-N	308.223	1.299	50	20	DDGD	
CCCNCCNC(=O)NNC(=O)c1cccc2ncccc12	841960864	HULYAMHPITUECZ-UHFFFAOYSA-N	315.377	1.178	50	20	DDGD	
CC(=O)Nc1cccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1C	843656388	MTSOGGZJSSTHGQ-GXFFZTMASA-N	319.361	1.139	50	20	DDGD	
C[C@H](Cc1ccccc1)NC(=S)NNC(=O)[C@@H]1CCCCO1	840776047	SXXSHRXULYKAEZ-OCCSQVGLSA-N	321.446	1.682	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1cn(-c2ccccc2)nn1	842549248	IPDPEQDWTCQFSF-OCCSQVGLSA-N	313.361	1.533	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cncc3ccccc23)n1	740112701	OMPLIBGIJWPQNE-UHFFFAOYSA-N	308.345	1.848	50	20	DDGD	
Cc1ncoc1C(=O)NNC(=O)c1cccc(OC(F)F)c1	747382608	ZQNLALPETMIAMC-UHFFFAOYSA-N	311.244	1.659	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1n[nH]cc1C	841643662	DDNQGNBCRRKHON-NSHDSACASA-N	319.365	1.085	50	20	DDGD	
Cc1cscc1C(=O)NNC(=O)CNC(=O)c1cccs1	749366930	LUIOJIBKXWHIBU-UHFFFAOYSA-N	323.399	1.309	50	20	DDGD	
CC(=O)NNC(=O)[C@H]1C[C@@]12CCCN(C(=O)OC(C)(C)C)C2	847283016	HXJBETABJGOHKY-IAQYHMDHSA-N	311.382	1.191	50	20	DDGD	
CCOCC(=O)NN=C(C)c1cnn(-c2ccccn2)c1C	748252237	QATHSAOUXCFYCZ-UHFFFAOYSA-N	301.350	1.452	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@@H]2CCCOCC2)cc1	845094311	OPUZDGUWCPLDIU-CYBMUJFWSA-N	321.377	1.597	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)C1(n2cnnn2)CCCCC1	845854751	OECHXOYLXBOEHG-UHFFFAOYSA-N	322.319	1.754	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)OC	928306823	FAYQHBFGEMBDPU-IEZBTEQYSA-N	320.320	1.470	50	20	DDGD	
CCCC[C@@H](CN)NC(=O)NNC(=O)c1cccc(N(C)C)c1	841959881	VTLLZRBNXTXGGU-ZDUSSCGKSA-N	321.425	1.214	50	20	DDGD	
COc1ccc(CNC(=O)NNc2nccc(OC)n2)c(F)c1	758865129	JDAWLJSNFRNNKQ-UHFFFAOYSA-N	321.312	1.459	50	20	DDGD	
CC1(C)CC(=NNC(=O)CNC(=O)c2ccco2)C(C)(C)O1	755890302	TZZBRMPJTUPCED-UHFFFAOYSA-N	307.350	1.459	50	20	DDGD	
CCOC(=O)N1CCC(C)(C=NNC(=O)Cc2cc[nH]n2)CC1	853350405	HTZJJXOKMOJDES-UHFFFAOYSA-N	321.381	1.313	50	20	DDGD	
COc1cccnc1CC(=O)NC[C@@]1(C)C[C@@H]1Br	857391415	PPOUMMBKWCREDQ-WCQYABFASA-N	313.195	1.922	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1	855103595	SBBOYOCCUOFEAH-SECBINFHSA-N	322.390	1.431	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@@H](O)CC2)C[C@H]1Br	856958309	KWZCUGIQMOBNCJ-CKYFFXLPSA-N	305.216	1.716	50	20	DDGD	
CCc1nn(C)c(CC)c1C=NNC(=O)CCN(CC)CC	755579958	VYYRTCYODDSURM-UHFFFAOYSA-N	307.442	1.727	50	20	DDGD	
Cn1cc([C@H](O)C(=O)NNc2ccc(OC(F)F)cc2)cn1	857474234	XEMNTARGGDOALY-NSHDSACASA-N	312.276	1.198	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H](C)C2CCC2)cc1OC	756051427	UWAYUYOVNOLOEP-SNVBAGLBSA-N	321.377	1.836	50	20	DDGD	
CCCNC(=O)Nc1ccc(CC(=O)NNC(=O)NCC)cc1	751371369	JZJVJKYTEZQBDQ-UHFFFAOYSA-N	321.381	1.111	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1	753452770	VNEZYWTVASHVKR-UHFFFAOYSA-N	324.684	1.083	50	20	DDGD	
COCCn1ccc(C(=O)NC[C@@]2(C)C[C@H]2Br)n1	857390691	GVJBLZHTGXGAEW-ZYHUDNBSSA-N	316.199	1.433	50	20	DDGD	
CC(C)[C@H]1OCCC[C@H]1CNC(=O)NNC(=O)C1CCCC1	753033416	CBGYQQIISWWJBC-UONOGXRCSA-N	311.426	1.958	50	20	DDGD	
CNC(=O)NN=Cc1cc(O)c(OC)cc1Br	920377224	PYWOPXHAXCRSIO-UHFFFAOYSA-N	302.128	1.426	50	20	DDGD	
CCO[C@@H](C(=O)NNc1nc(-c2ccccc2)no1)C1CC1	859315333	BJHZECDILMHPDL-GFCCVEGCSA-N	302.334	1.995	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)N[C@H]1CCc2c[nH]nc2C1	758906802	WTJRQKFEXKZVKI-JTQLQIEISA-N	316.321	1.502	50	20	DDGD	
Cc1c(C(=O)NNC(=S)N[C@H](C)C2CC2)cnn1CC(C)C	855098925	OFOCWDGRACNUIP-SNVBAGLBSA-N	323.466	1.755	50	20	DDGD	
CC(C)NCCCNC(=O)NC[C@@]1(C)C[C@H]1Br	857103109	BUZJDQKZYXHHMG-ZYHUDNBSSA-N	306.248	1.847	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N1C[C@@H](C)[C@H](C)C1	752000337	RTZASTUNPVXFCZ-GHMZBOCLSA-N	315.377	1.585	50	20	DDGD	
CCC(=O)N1CCC[C@@H](C(=O)NNc2ccnc(Cl)c2)C1	855469158	VOWKCNBBVJMBJH-SNVBAGLBSA-N	310.785	1.827	50	20	DDGD	
C/C=C\COc1cccc(CC(=O)NNc2cnnn2C)c1	857270700	LHSGWUGQRLKNOW-ARJAWSKDSA-N	301.350	1.456	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NCC2CC2)cnn1CCC(C)C	750261887	NGLXDOBFCXYBPD-UHFFFAOYSA-N	307.398	1.592	50	20	DDGD	
NC(=O)[C@H](Cc1ccccc1)NNC(=O)Cc1ccc(F)cc1	758137798	FIZGRRSDAPVZIY-HNNXBMFYSA-N	315.348	1.086	50	20	DDGD	
COc1ccc(Br)c(C(=O)NN=Cc2cnc[nH]2)c1	755698251	KNPGSELYSFTQAJ-UHFFFAOYSA-N	323.150	1.945	50	20	DDGD	
CC1(C)C[C@]1(C(=O)O)C(=O)NNc1nc(-c2ccncc2)no1	852950003	DGDGGYLPTUENIM-CQSZACIVSA-N	317.305	1.076	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCC1(CC(=O)NC)CCCCC1	856140535	XPKZEPCQZSGHFH-ACCUITESSA-N	307.394	1.633	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C1=CCC(C)(C)CC1	854285363	BTWLXBCUTPCBFO-UHFFFAOYSA-N	313.467	1.997	50	20	DDGD	
CC[C@H](C)n1nc(C(=O)NNc2cc(Cl)nc(N)n2)cc1C	753454663	JIPJOOHHOFLMAF-ZETCQYMHSA-N	323.788	1.945	50	20	DDGD	
CC(C)S(=O)(=O)CC(=O)NC[C@]1(C)C[C@@H]1Br	857403559	SSJOTIWRSQWRMM-WPRPVWTQSA-N	312.229	1.099	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@@H]2C)c(O)c1	863859589	KLNSXIBAYRPWOU-RMIALFOJSA-N	306.362	1.521	50	20	DDGD	
C[C@](O)(C(=O)NNc1nc2ccccc2[nH]c1=S)C1CC1	862293306	RBZISIHJMURTEM-CQSZACIVSA-N	304.375	1.896	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)Cc2cc(C)[nH]n2)c(C)c1	869015675	VJAWGBRHNGABMB-UHFFFAOYSA-N	300.362	1.647	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccccc1CCN(C)C	931021669	JKRADOWSISQRIX-UHFFFAOYSA-N	316.405	1.747	50	20	DDGD	
CSCCc1ccc(NC(=O)C(=O)NNC(=O)C(C)C)cc1	763816018	ADYDIZXIFKZHMJ-UHFFFAOYSA-N	323.418	1.334	50	20	DDGD	
CC(=O)CCC(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1	765563498	AXNTWPZMQIKLBV-UHFFFAOYSA-N	306.347	1.268	50	20	DDGD	
CCC/C=C\C(=O)NNc1c(OC)cccc1S(C)(=O)=O	768645088	MMTKZUNICZGITH-POHAHGRESA-N	312.391	1.898	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCc1cn[nH]c1)c1ccccc1	863870522	HVLTWPSQOMMIPU-AWEZNQCLSA-N	300.362	1.684	50	20	DDGD	
C[C@H](NNC(=O)c1ccccc1SCC(N)=O)C(F)(F)F	862306177	FWFUOGWXVOZHIX-ZETCQYMHSA-N	321.324	1.449	50	20	DDGD	
CC[C@](O)(CC(=O)NNC(=S)NC(C)C)c1ccccc1	1118004131	OWNVFJCJPHCECO-HNNXBMFYSA-N	309.435	1.578	50	20	DDGD	
CC1(C)CCC(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)CC1	764676833	UIHUQDLLGSREHY-LBPRGKRZSA-N	300.424	1.740	50	20	DDGD	
Cc1cc(=NNC(=O)NC2CN(C(=O)OC(C)(C)C)C2)cc[nH]1	875355133	IUYJBDXCIFHMMA-UHFFFAOYSA-N	321.381	1.057	50	20	DDGD	
O=C(NNc1ccc(F)cn1)[C@@H]1CCCN(C(=O)C2CC2)C1	874651391	OIWOGYKMJOMNMH-LLVKDONJSA-N	306.341	1.312	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc(OC[C@H]2CCCO2)c1	878203612	BWZVUGHPORHPRS-OAHLLOKOSA-N	323.393	1.859	50	20	DDGD	
C[C@]1(CNc2cc(C(N)=O)nc(Cl)n2)C[C@H]1Br	872612960	SNRPCDVXPMFKHT-LHLIQPBNSA-N	319.590	1.814	50	20	DDGD	
CC[C@@]1(C(=O)OC[C@@H](CBr)C2CC2)CCNC1=O	870046854	NNRAAMUIPPVKEP-ZWNOBZJWSA-N	318.211	1.867	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(O[C@H]2CCOC2)cc1	878780246	INMYYNNMYBCXHY-AWEZNQCLSA-N	309.366	1.469	50	20	DDGD	
COC(=O)c1cncc(C(=O)NNc2ccc([N+](=O)[O-])cc2)c1	774331530	ANTVSGKNTXRCNL-UHFFFAOYSA-N	316.273	1.533	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc2ncccc2c1	772053767	JXEQXAZJJXFBKD-JTQLQIEISA-N	315.329	1.338	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NN=Cc1cccc2nccn12	771087734	HJMWFBDBYGKYKB-UHFFFAOYSA-N	318.340	1.834	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)Cc2cccnc2)Cc2ccccc21	872875005	ABAFMPYHGMMOBM-ZDUSSCGKSA-N	324.384	1.984	50	20	DDGD	
O=C(CO)NN=Cc1c(-c2ccccc2)nc2sccn12	776779554	NJGFYSBZXLIITN-UHFFFAOYSA-N	300.343	1.505	50	20	DDGD	
CCC(CC)[C@@H](C(=O)NNc1ccc(F)cn1)N1CCOCC1	874650488	ZDHXNGAURPJTHD-HNNXBMFYSA-N	324.400	1.801	50	20	DDGD	
CC(=NNC(=O)CNc1ccccc1)c1ccc(C(=O)O)o1	772995775	FJEAAEROPBWWLJ-UHFFFAOYSA-N	301.302	1.930	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CCc2cnn[nH]2)cc1C	873761658	DHYIERDVYYLXLN-UHFFFAOYSA-N	318.406	1.372	50	20	DDGD	
CN(C)c1ccncc1C=NNC(=O)COCc1ccccc1	776186418	NQBCMPHZJKIIAS-UHFFFAOYSA-N	312.373	1.815	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])C(=O)Nc1cccnc1	773647778	CODKWKSSBJFMAQ-UHFFFAOYSA-N	301.262	1.072	50	20	DDGD	
CCCn1cc(C=NNC(=O)CCOc2ccccc2)nn1	872346823	LRHKHULFMFPBID-UHFFFAOYSA-N	301.350	1.607	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(F)c1Cl)c1ncn(C)n1	875516526	GRWLTMOKIUUIFM-ZETCQYMHSA-N	312.736	1.995	50	20	DDGD	
CCc1nc(CNC(=O)NNc2cccc(F)c2Cl)n[nH]1	875625124	BGMOWRMEUIEKKC-UHFFFAOYSA-N	312.736	1.986	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1ccc(OC(F)F)cc1	779823104	LECZNLGWOSUVFI-UHFFFAOYSA-N	315.276	1.484	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H](C)n2cncn2)c(C)c1	873758025	GSTWTQQYKDKSKI-NSHDSACASA-N	318.406	1.474	50	20	DDGD	
COc1c([N+](=O)[O-])ccc(C=NNC(=O)NC2CCCC2)c1O	773056566	YXDJHPALXUPRDL-UHFFFAOYSA-N	322.321	1.885	50	20	DDGD	
CC(=NNC(=O)Cc1nc2ccccc2n1C)c1cn(C)cn1	872332928	WLAIFEVDYSJFFX-UHFFFAOYSA-N	310.361	1.390	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)nn1	771590872	RIIQHZFEJMAELJ-UHFFFAOYSA-N	307.241	1.289	50	20	DDGD	
Cc1c(C(=O)NNc2ccnc(N(C)C)n2)cnn1C(C)C	771385257	UJCSHQPHCUWVST-UHFFFAOYSA-N	303.370	1.385	50	20	DDGD	
Cc1ccccc1NC(=O)NNc1nc(O)c2cnn(C)c2n1	775389706	RKQQCOAEZCUQJC-UHFFFAOYSA-N	313.321	1.526	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)C1(C(=O)NC2CC2)CCC1	885145402	YHVXOWBJOJWGPQ-UHFFFAOYSA-N	309.316	1.857	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1CNC(=O)NNC(=O)C1CCOCC1	883672624	LDRMJDWHICCVSL-TZMCWYRMSA-N	311.426	1.960	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1nc(SC)n2ccccc12	887141985	RLQKJMIXMLMKHB-UHFFFAOYSA-N	316.386	1.621	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)C(=O)NNc1ccc(F)cc1Cl	885135550	FGIGMYXUWIBQIT-ZETCQYMHSA-N	308.762	1.603	50	20	DDGD	
C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NN=c1cc[nH]cc1	780753918	VVYQHLXYDSDRRS-LBPRGKRZSA-N	308.341	1.462	50	20	DDGD	
COc1ccc(NNC(=O)c2nnn(-c3ccccc3)c2C)nc1	781521443	BEDSRMXADJQTAX-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@H]2CCC[C@H](C(N)=O)C2)c1	787194851	IXFZPUGMLVLRLO-UWVGGRQHSA-N	321.768	1.341	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@H]1CO[C@H](C)C1	784145220	OBZNILGKQDBBTQ-RKDXNWHRSA-N	312.753	1.535	50	20	DDGD	
O=C(NNc1cccnn1)C(=O)Nc1ccc(-c2ccc[nH]2)cc1	784858918	YYDPTMCJQGYPBQ-UHFFFAOYSA-N	322.328	1.554	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H]1CSCCS1	780739758	QUZDYQQBQOMPRF-LLVKDONJSA-N	312.416	1.765	50	20	DDGD	
O=C(O)[C@H]1CCC(=NNC(=O)[C@@H]2CCOC2)c2ccccc21	789053635	ALBNBBVVDIRBSC-MFKMUULPSA-N	302.330	1.505	50	20	DDGD	
O=C1CC[C@@H]2[C@@H]1[C@@H]2C(=O)NNc1ccc(-c2ccccc2)nn1	896283718	SFTDGURRQUTDLS-XFBWCDHKSA-N	308.341	1.812	50	20	DDGD	
O=C(C[S@](=O)c1ccc(Cl)cc1)NNC(=O)C1CC1	899938107	VKNOFJGJXNILMY-IBGZPJMESA-N	300.767	1.005	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21	780685083	SIOZRENCHKFPMM-OWYVNGRQSA-N	322.386	1.057	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NOCC(F)F)c1ccccc1	793176306	DOXIOKJQLUZTAO-JTQLQIEISA-N	301.293	1.707	50	20	DDGD	
COC(=O)c1cccc(/C=C(\C#N)C(=O)C2CCOCC2)n1	899372967	QMLCIGAKOLGCFT-FMIVXFBMSA-N	300.314	1.771	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@H]2CCOC3(CCC3)C2)cc1	895982712	PCPBBVHFQMDMKU-AWEZNQCLSA-N	313.357	1.669	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(C(C)(C)C#N)cc1	793455426	GQTODQCRZIFVNS-UHFFFAOYSA-N	311.345	1.594	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC=C(c2ccco2)C1	796121843	YKWHEIHTMLVSPQ-ZDUSSCGKSA-N	319.405	1.951	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41	793749125	QDFNJBWBJNXDOW-VBJLVJOSSA-N	300.337	1.453	50	20	DDGD	
Cc1cc(NNC(=O)C2CCC(NC(=O)C3CC3)CC2)ncn1	795104234	ROXGKYUMCLXYRR-UHFFFAOYSA-N	317.393	1.313	50	20	DDGD	
COCc1cc(C=NNC(=O)[C@@H](C)Oc2ccccc2F)no1	794879835	MYNSGIMQWANOJR-SNVBAGLBSA-N	321.308	1.878	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cn(-c2ccccc2)nn1	791253820	VBIOGNJBNACSKF-UHFFFAOYSA-N	320.316	1.067	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ncsc1C(F)(F)F	792148253	RWZGQXZHQXBVIF-UHFFFAOYSA-N	319.268	1.268	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1cn2c(n1)CCCC2	799325708	VLALTMRMYWFBME-UHFFFAOYSA-N	312.373	1.613	50	20	DDGD	
COc1ccc(-c2nc(/C=C(\C#N)S(N)(=O)=O)cs2)cc1	799894445	VBJDMJRCZJDRAJ-WUXMJOGZSA-N	321.383	1.972	50	20	DDGD	
CC(=NNC(=O)c1cccn1C)c1cccc(N2CCC2=O)c1	794888183	FPMVSWGTPUBRRJ-UHFFFAOYSA-N	310.357	1.916	50	20	DDGD	
CCOc1cccc(S(=O)(=O)NNC(=O)c2cccn2C)c1	799916946	NKAFSVHLXJQYFT-UHFFFAOYSA-N	323.374	1.047	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)CO[C@@H]1CCOC1	1319873737	RXNTYVJYJHAEEI-CYBMUJFWSA-N	301.346	1.792	50	20	DDGD	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=NNC(=O)CCO	1319364554	DRMWYJVHZTWTBW-UHFFFAOYSA-N	324.743	1.806	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1cc(O)nc(C2CC2)n1	1328629529	XBQKNYKZMWNLIM-UHFFFAOYSA-N	306.713	1.260	50	20	DDGD	
CN(C)[C@H]1CCCC[C@H]1NC(=O)NNC(=O)CC(F)(F)F	1321745001	WUSILXVWWANPIA-BDAKNGLRSA-N	310.320	1.142	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)c2ccccc2Cl)CCCNC1	1325371538	KODDFNXIKFIWSO-OAHLLOKOSA-N	324.812	1.674	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1c[nH]cc(Cl)c1=O	1321426630	LXUFHZAPUJBIBD-UHFFFAOYSA-N	321.720	1.112	50	20	DDGD	
N#Cc1ccc(N2C[C@H](C(=O)NNc3ccccn3)CC2=O)cc1	1254245117	GIUHMGJFWBGJSV-CYBMUJFWSA-N	321.340	1.449	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ncc(Cl)s1)C1CC1	1331223409	SRYOVDDWABJEBU-RXMQYKEDSA-N	304.828	1.704	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C[C@H]1OCCc2ccccc21	1251877583	HEOOGHPDIRHXAG-CYBMUJFWSA-N	307.419	1.594	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)Nc1nc2c(s1)CCCC2	1348511675	URXXACPNTKQJDU-UHFFFAOYSA-N	323.422	1.174	50	20	DDGD	
CN(CC(=O)OC[C@]1(C)C[C@@H]1Br)C(=O)C1CC1	1344034329	FSMTZQGDSABCOD-CABZTGNLSA-N	304.184	1.572	50	20	DDGD	
O=C(NNc1ncccc1F)Nc1ccc(-n2cncn2)cc1	1521794191	CALDGZCXZWPCNI-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
Cc1c(NNC(=O)N[C@H]2CCN(C)[C@H]2C)cccc1C(=O)O	1600051424	RKSUGIVJLSSXLN-GWCFXTLKSA-N	306.366	1.412	50	20	DDGD	
O=C(O)C(=O)NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1	1601635509	GHQHVPRCDLGLQE-UHFFFAOYSA-N	303.230	1.390	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2csc3cncn23)nc1	1602384433	MSELKHQRQWTMCE-UHFFFAOYSA-N	303.303	1.246	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C2(C(=O)O)CCC2)c(C)c1	1605294101	LRDDUJTZGGFLEO-UHFFFAOYSA-N	321.402	1.876	50	20	DDGD	
O=C(/C=C\c1ccc(C(=O)O)o1)NNC(=O)c1ccccc1F	1608286402	UFSKCASYQKTDBK-VURMDHGXSA-N	318.260	1.591	50	20	DDGD	
COc1cc(NC(=O)NNc2ccc(F)c(C(=O)O)c2)ncn1	1607178629	UMCMYCZIGISDQE-UHFFFAOYSA-N	321.268	1.471	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccsc2CC(=O)O)nc1	1601108977	YGVGLWVJFSHFCB-UHFFFAOYSA-N	302.315	1.399	50	20	DDGD	
Cc1c(NNC(=O)[C@@H](C)Oc2ccccn2)cccc1C(=O)O	1600051591	WYLWOYVNMBQUTR-LLVKDONJSA-N	315.329	1.999	50	20	DDGD	
Cc1c(NNC(=O)c2cccc(C#CCO)c2)cccc1C(=O)O	1600054033	FUPACTLUGGSTJJ-UHFFFAOYSA-N	324.336	1.794	50	20	DDGD	
Cc1cc(CNC(=O)NNc2ccc(C(=O)O)cc2F)n(C)n1	1607642958	GWDXNYLKICFSNF-UHFFFAOYSA-N	321.312	1.392	50	20	DDGD	
O=C(O)c1cc(NNC(=O)c2c[nH]nc2C2CC2)ccc1F	1602287563	LMTNVOFXOVPYLX-UHFFFAOYSA-N	304.281	1.881	50	20	DDGD	
COc1cccc(CC(=NNC(=O)NCC(=O)O)C2CC2)c1	1607317499	PCRSHDNDZQPDTP-UHFFFAOYSA-N	305.334	1.388	50	20	DDGD	
O=C(O)c1ccc(-c2ccc(CN3CC[C@@H](B(O)O)C3)o2)cc1	1608868652	ZELWWBYSWXXBBO-CYBMUJFWSA-N	315.134	1.694	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cnc3cccnn23)c1F	1602450186	NVWFHJIICLALMV-UHFFFAOYSA-N	315.264	1.324	50	20	DDGD	
I[C@@H]1COC[C@H]1OC[C@@H]1CCCCO1	228842682	ZMMJHCBQYBZMLC-IVZWLZJFSA-N	312.147	1.775	50	20	DDGD	
O=C(O)Cn1cccc1C=NNC(=O)Cc1c[nH]c2ccccc12	1610800804	FVCIMXQCKOEHRJ-UHFFFAOYSA-N	324.340	1.747	50	20	DDGD	
O=C(NNc1cccc(F)n1)C(=O)Nc1ccccc1C(=O)O	1611344581	WBLHYUTUPKCXHB-UHFFFAOYSA-N	318.264	1.001	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1cccc(F)c1F	1549320305	LVEULLZMALWWAY-BXUZGUMPSA-N	323.343	1.668	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C=NNC(=O)[C@@H]1CCCOC1	1552453002	IWIGMOLOKRKEII-MGPQQGTHSA-N	320.393	1.416	50	20	DDGD	
CC[C@H]1NCC[C@H]1C(=O)NNc1cc(Br)ncn1	1577308648	OYSHRGKIOVYVJQ-HTQZYQBOSA-N	314.187	1.070	50	20	DDGD	
CC(C)c1ccc(OCC(=O)NNC(=O)CCCCCN)cc1	1575858506	JDJCDPOSAIIJRC-UHFFFAOYSA-N	321.421	1.855	50	20	DDGD	
CCC(=O)c1cc(C(=O)NNC(=O)[C@H]2CCCNC2)ccc1F	1576932258	NROXYSLDIMBLAY-NSHDSACASA-N	321.352	1.179	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CCCNCC2)c1C	1578877636	DYDYYXIKLBMRNA-GFCCVEGCSA-N	305.378	1.614	50	20	DDGD	
CC(C)(C)[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](F)Cl	1847526961	GMFMSBVELPKSBF-UKKRHICBSA-N	320.792	1.130	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@@H]2F)C1	1841792726	MAPGIOZEVOROOF-VWYCJHECSA-N	302.777	1.565	50	20	DDGD	
CC(C)(C)[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](F)Cl	1847526959	GMFMSBVELPKSBF-MMWGEVLESA-N	320.792	1.130	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCO1	1589792433	BCTVUBBPMFLWPR-GXFFZTMASA-N	316.365	1.515	50	20	DDGD	
CC(C)(C#N)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843361900	WHUBKOWKKOEGSM-VIFPVBQESA-N	301.749	1.274	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCn1cnc(-c2nn[nH]n2)c1C#N	1589213506	IFXUJAZWBPSDNF-UHFFFAOYSA-N	319.445	1.957	50	20	DDGD	
CCC(CC)(C(=O)O)C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1	1589475882	NYVNRUDJUBASDI-LBPRGKRZSA-N	320.345	1.029	50	20	DDGD	
CN(C(=O)/C(C#N)=C\c1ccc(O)cc1)[C@H]1C[C@@H](C(=O)O)C1	1597989857	FLKCRJCEIDYWQT-ZLAYYRTKSA-N	300.314	1.621	50	20	DDGD	
COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)C(C)C)C1	1842615600	AMMCSPONDXBLMO-NSHDSACASA-N	302.802	1.100	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)O	1596862660	IHGSNIQFESASIN-YGYTWAPGSA-N	318.329	1.196	50	20	DDGD	
C[C@H](CC(=O)NNc1ccc(C(=O)O)cc1F)c1cnn(C)c1	1592252660	PBTQFGFGMGLQAR-SECBINFHSA-N	320.324	1.894	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2ccccc2-c2nn[nH]n2)n1	1592220518	FQYWPJAUPGCHBL-UHFFFAOYSA-N	307.317	1.334	50	20	DDGD	
COC[C@@]1(C(=O)O)CCCN1C[C@@H](CBr)C1CC1	1599193400	LDGCEUDFQHKAHG-DGCLKSJQSA-N	320.227	1.973	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H](C(=O)O)C(C)C)c1	1594352351	RPTQHXYSUGCNGR-AWEZNQCLSA-N	322.361	1.186	50	20	DDGD	
CCNC(=O)NNc1cc(C(=O)O)ccc1Br	1596471171	UTNFNEWLZINCAB-UHFFFAOYSA-N	302.128	1.793	50	20	DDGD	
O=C(O)C1(C(=O)NNc2nc3ccccc3[nH]c2=S)CCC1	1594866832	FFIKKCVHZPBYFN-UHFFFAOYSA-N	318.358	1.990	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc(F)c(O)c1	1593164904	RRQZPEZXOUCDMH-UHFFFAOYSA-N	314.280	1.468	50	20	DDGD	
O=C(CC1CCCC1)NN=Cc1ccn([C@H]2C[C@H](C(=O)O)C2)n1	1776039984	DDHXKCRMWQRXCL-MQMHXKEQSA-N	318.377	1.949	50	20	DDGD	
CC(=NNC(=O)c1ccon1)c1cccc(OCC(=O)O)c1	1776106290	YCTJGNVIEDOVDA-UHFFFAOYSA-N	303.274	1.292	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncc[nH]1)[C@H](F)Cl	1794834912	JRGVBUYPHXLOBA-JXUBOQSCSA-N	314.748	1.196	50	20	DDGD	
COCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)CCl)C2	1795594403	FUZRFPDXUUHIKV-ZSBIGDGJSA-N	316.829	1.536	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@H]1[C@@H]2CCO[C@@H]2C12CCC2	161149201	WNWIOQSEBJFYDM-UWJYBYFXSA-N	323.784	1.714	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2cccc(C(F)(F)F)c2)CCN1	151478292	WEVMCNZLULVFIR-MRVPVSSYSA-N	301.268	1.675	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)Nc2c(C)cccc2C)o1	151193351	VXDNEOLRHQGAHP-UHFFFAOYSA-N	315.329	1.605	50	20	DDGD	
N#Cc1cccc(NNC(=O)COc2ccccc2[N+](=O)[O-])c1	152434806	XVNZFKGGORGTNV-UHFFFAOYSA-N	312.285	1.989	50	20	DDGD	
CCOc1ncccc1NC(=O)C(=O)NNc1ccccc1F	155621006	QGNUSTPGQUXHQR-UHFFFAOYSA-N	318.308	1.701	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1cc(F)c(F)cc1F	156229531	YAQYDMHTTDLZOA-UHFFFAOYSA-N	303.309	1.328	50	20	DDGD	
CSCCNC(=S)NNC(=O)Cc1c[nH]c2ccccc12	154049000	ICXLEPTVETUDEM-UHFFFAOYSA-N	322.459	1.569	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cnc3sccn3c2=O)cc1	155337005	PHXWQKNHOWIFSJ-UHFFFAOYSA-N	311.326	1.385	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@H]1CCc2[nH]ncc2C1	154416505	UZYMSRBQCOYWKX-QMMMGPOBSA-N	307.745	1.037	50	20	DDGD	
C=CC[C@H](CO)CNS(=O)(=O)c1ccc(CCl)cc1	914329342	QFTRDWPHQTUDNE-LBPRGKRZSA-N	303.811	1.888	50	20	DDGD	
CNC(=O)NNC(=O)Cc1coc(-c2ccc(Cl)cc2)n1	104319654	UFCPOANZUKQFSS-UHFFFAOYSA-N	308.725	1.498	50	20	DDGD	
O=C(NC[C@@H]1C[C@H]2CC[C@@H]1C2)NNC(=O)c1ccccc1O	171232393	BNYONLFMOGCQEU-TUAOUCFPSA-N	303.362	1.772	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCc2c(C)noc2C)n1	107338767	XIJPRJOUTJGXHY-UHFFFAOYSA-N	304.354	1.567	50	20	DDGD	
C[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	105311806	UQPKCPDYFVXPHV-SKDRFNHKSA-N	306.322	1.727	50	20	DDGD	
Cc1ccc(NNC(=O)NCCCOCC(F)(F)F)nn1	171555237	LFKJIVCKURSKAS-UHFFFAOYSA-N	307.276	1.380	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1noc2c1CCCC2	104829657	OFVNARVNKNKGMN-UHFFFAOYSA-N	314.345	1.427	50	20	DDGD	
CCC(=O)N1CCC[C@H](C(=O)NNc2ncccc2Cl)C1	114884175	UADDAWNPTKILRI-JTQLQIEISA-N	310.785	1.827	50	20	DDGD	
CCc1ccc(C(=O)NNS(=O)(=O)c2cnn(CC)c2)cc1	66577705	QSYUMZUWUMWQIL-UHFFFAOYSA-N	322.390	1.089	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Cc1c(C)noc1C	67435512	KFLACBIHXINXKJ-UHFFFAOYSA-N	303.318	1.304	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCC(C)(C)N1C[C@H](C)O[C@H](C)C1	178951817	JYFRNCUVNGUUMT-DRCAHHLTSA-N	309.410	1.434	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1cccnc1)c1cccc(O)c1	112457569	OSRGRJGEQCANGF-LLVKDONJSA-N	314.345	1.421	50	20	DDGD	
CCS[C@H]1CCCCN([C@H](C)C(=O)NNC(=O)CC)C1	112089205	HCFPEGRFBRLPHH-NEPJUHHUSA-N	301.456	1.540	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H](Cc1ccccc1)C(C)C	119862941	IPSFZSHGQTXBGK-HNNXBMFYSA-N	321.421	1.868	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2ncn(-c3ccccc3)n2)c1	119110253	WSGORVGSIAFPRS-UHFFFAOYSA-N	304.313	1.896	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)c2ccsc2)C[C@H](C)O1	111545067	YLILHYZQSLGIOE-QWRGUYRKSA-N	311.407	1.008	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc2nccn2c1	67432803	WDTGLFBWELYXJP-UHFFFAOYSA-N	310.313	1.418	50	20	DDGD	
O=C(NNc1ccccc1C(F)(F)F)C1(O)CCOCC1	122676138	IPIZISPMDLDOAV-UHFFFAOYSA-N	304.268	1.690	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1c(F)cc(Br)cc1F	129834956	JGCQCRWGZUDXQW-UHFFFAOYSA-N	322.109	1.643	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@H]2C[C@]23CCc2ccccc23)cn1	173688823	CLNCZMAYOYGUBG-PBHICJAKSA-N	310.357	1.085	50	20	DDGD	
O=C(NNc1ncccn1)c1cccc(OC[C@@H]2CCCO2)c1	124066176	BCDGMRYZYCTWQX-AWEZNQCLSA-N	314.345	1.791	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC2CC2)c(C)n1Cc1ccco1	64900903	CFACWMOZIHPBEK-UHFFFAOYSA-N	316.361	1.853	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNC(=O)c1cccc2ncccc12	125394788	IQMCJHCTCULEIH-MRXNPFEDSA-N	301.346	1.547	50	20	DDGD	
COCCC1(C(=O)NNC(=O)c2cccc(N(C)C)c2)CC1	120920614	IPIGQSNITSGKQW-UHFFFAOYSA-N	305.378	1.330	50	20	DDGD	
O=C(NCCSc1ccccc1)NNC(=O)c1ccc[nH]1	127666753	IRQHFKIZMYYBTF-UHFFFAOYSA-N	304.375	1.751	50	20	DDGD	
C[C@@H](O)CN(C)S(=O)(=O)c1ccc(CCCCl)cc1	182436693	RGZQAHSKQCMGRJ-LLVKDONJSA-N	305.827	1.859	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNC(=O)NCc1ccco1	73117528	FYSYTQCUOALGPN-UHFFFAOYSA-N	314.301	1.061	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2	120533646	GALGJOBWUPBGGP-MCIONIFRSA-N	303.362	1.188	50	20	DDGD	
CC(=O)N1CCC(NC(=O)NNc2cccc(C#N)c2)CC1	127810201	IBGKSYQREYQLIX-UHFFFAOYSA-N	301.350	1.195	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@@H](C)Cn2cccn2)n1	181045614	GCNMTUPWFBBSAJ-LLVKDONJSA-N	304.354	1.249	50	20	DDGD	
COCCOc1cccc(CC(=O)NNc2ccncc2)c1	180473292	HRVYVXYWLMQUST-UHFFFAOYSA-N	301.346	1.793	50	20	DDGD	
CN(NC(=O)Cc1cccc(OCC(F)(F)F)c1)C(N)=O	182636227	KMEMDJKMPOAZNF-UHFFFAOYSA-N	305.256	1.212	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc([N+](=O)[O-])cc2O)n1	122118559	FLLYEJHCNUNUHF-UHFFFAOYSA-N	303.278	1.464	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1cccc(-n2ccnc2)c1	185214698	IKRALZYSBQIQCL-UHFFFAOYSA-N	321.340	1.954	50	20	DDGD	
O=C(NCc1ccccc1-n1ccnc1)NNc1cccnn1	77349541	PTVJHCBOCYJUAW-UHFFFAOYSA-N	309.333	1.489	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1Cc2cc(C)c(C)cc2O1	131837613	WTIFUNNJEGXEHR-ZDUSSCGKSA-N	314.345	1.549	50	20	DDGD	
CC(=O)N1CCC[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2)C1	134209829	WCKNSJUCUQUCHY-LLVKDONJSA-N	306.322	1.296	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)C(C)(C)Cc1cccc(Cl)c1	190049475	ZRHZXJSUYYEODE-UHFFFAOYSA-N	312.797	1.827	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C[C@H]1CCCCO1	87193613	AENGIUPTTFOCAH-CYBMUJFWSA-N	306.362	1.344	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCc1nccs1	80043512	NIYFFJQMZTUEKW-UHFFFAOYSA-N	308.338	1.355	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1F)n1cncn1	81030357	JRDIQVNFVUFUCY-ZETCQYMHSA-N	311.704	1.093	50	20	DDGD	
COc1ccnc(NNC(=O)NCCc2ccc(F)cc2C)n1	88617960	XONMTANOUVVHKG-UHFFFAOYSA-N	319.340	1.802	50	20	DDGD	
COc1ccc(OCC(=O)NNc2cc(C)nc(C)n2)cc1C	269033967	UCRDXDRILWUYMX-UHFFFAOYSA-N	316.361	1.933	50	20	DDGD	
C=CC[C@H](C)NC(=O)NNC(=O)c1ccc2c(c1)OCCO2	265352392	FKQQLPFXCVAXJZ-JTQLQIEISA-N	305.334	1.366	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@H](C)Oc1cccc(F)c1	266620731	VLVZQXVUNOJWKM-NSHDSACASA-N	311.357	1.970	50	20	DDGD	
NC(=O)N1CCC[C@H]1C(=O)NNc1c(Cl)cccc1Cl	268635720	CGRAPTLXXIEJNG-VIFPVBQESA-N	317.176	1.980	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H](CC)Oc1ccccc1F	267386693	WCERGLPKKACQPO-NSHDSACASA-N	311.382	1.664	50	20	DDGD	
COc1ccccc1[C@H](C)CC(=O)NNC(=O)c1ccc[nH]1	264243722	ZPMWJNUVBKMYJY-LLVKDONJSA-N	301.346	1.978	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H](C)[C@@H]1CCOC1	266450231	AWSXRPZUUQWGJK-GHMZBOCLSA-N	307.350	1.064	50	20	DDGD	
C#CCOc1ccccc1CNC(=O)NNC(=O)C(C)(C)C	265147870	KOPNEAFIKUXXKI-UHFFFAOYSA-N	303.362	1.575	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1	368680228	KFIWRKJGKCTLJT-SNVBAGLBSA-N	311.382	1.333	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)c2cnc3c(c2)NC(=O)CO3)c1	369755594	SCWPXZWSGLDQRV-UHFFFAOYSA-N	312.329	1.786	50	20	DDGD	
CC(C)(C)[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1n[nH]c2c1CCC2	277028113	JYTKJNIAXNJTDU-GWCFXTLKSA-N	320.393	1.111	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(OC(F)(F)F)cc1	271250956	FDVYLAWWVLCLFQ-UHFFFAOYSA-N	305.256	1.891	50	20	DDGD	
CC1=C(C(=O)NNC(=O)COc2ccc(F)cc2)CCCO1	270151520	VYOHXLIFXHBGHR-UHFFFAOYSA-N	308.309	1.436	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@@H]1CCCc2c1cnn2C	276596345	AUUZFFGVYANTTG-GFCCVEGCSA-N	300.366	1.827	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCC[C@H]2CCO[C@H](C)C2)n1	273043153	FFRTZWHBNBKDLD-NEPJUHHUSA-N	323.397	1.625	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NNC(=O)c2cccc(C)n2)C1(C)C	279776269	APISCCWAQHRYBT-CYZMBNFOSA-N	320.393	1.394	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C[C@@H](C)CC(=O)OC)c1ccccc1	289518277	AZSBLAJUHMIBDE-TZMCWYRMSA-N	320.389	1.917	50	20	DDGD	
CCCNC(=O)/C(C#N)=C/c1c(Br)c(C)nn1C	280447752	KMIKJQSMNBBESW-RMKNXTFCSA-N	311.183	1.924	50	20	DDGD	
CCCC[C@H](C)C(=O)NNC(=O)CNC(=O)c1cccs1	282224013	RMXQGMANDGPLPD-JTQLQIEISA-N	311.407	1.452	50	20	DDGD	
O=C(NNc1ncccn1)NC1CCC2(CCOCC2)CC1	370631768	SMBOJYHTXPLPRE-UHFFFAOYSA-N	305.382	1.842	50	20	DDGD	
O=C(NNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)c1cccc(Cl)c1	377869609	PVLNLNTUUFDGTA-WCFLWFBJSA-N	324.764	1.153	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)c2cccc(C3CCC3)c2)nn1	281135162	ACWPMYKYVQSXNF-UHFFFAOYSA-N	311.345	1.600	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1)C1CC1	281536808	KHKOZHJDZSGWBV-GFCCVEGCSA-N	320.374	1.324	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1ccc2c(c1)ncn2C	284981710	BIGONWXNOVNAJH-UHFFFAOYSA-N	324.431	1.639	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCc2cnn(CC)c2)cc1	286735042	HNSCNMSCMDXQTI-UHFFFAOYSA-N	315.377	1.610	50	20	DDGD	
Cc1noc(C)c1C(C)(C)C(=O)NNC(=O)c1ccccn1	280781333	KATGUDNVJQIYPC-UHFFFAOYSA-N	302.334	1.425	50	20	DDGD	
COc1ccc(OC)c(CC(=O)NNC(=O)NC2CCCC2)c1	299377988	YGSGFFOOANXDBS-UHFFFAOYSA-N	321.377	1.519	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2C[C@H](C)CC(=O)N2)cc1Cl	293538884	RWJCWVFNGVUGHZ-KWQFWETISA-N	311.769	1.706	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)[C@@H]1COCCN1CC(F)F	293661496	JLCNWBIYMIWZKF-QMMMGPOBSA-N	320.727	1.144	50	20	DDGD	
O=C(Cn1ccc2ccccc2c1=O)NNc1cccc(F)n1	804768512	GNTNAEWJDIXSSW-UHFFFAOYSA-N	312.304	1.679	50	20	DDGD	
CCCn1cc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)cn1	803430655	JYOWURXTYQNNCB-UHFFFAOYSA-N	311.345	1.892	50	20	DDGD	
Cc1nc(C)c(CNC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)s1	297267594	OQNFOCNMWBJFPQ-XVKPBYJWSA-N	312.395	1.158	50	20	DDGD	
O=C(NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21)NNc1ncncc1F	292935740	FPNXYQGESOPAGW-YRGRVCCFSA-N	313.336	1.828	50	20	DDGD	
COc1cc(C(=O)NNC(=O)N=c2cc[nH]cc2)ccc1C	802032475	UYLAPVBECRROOK-UHFFFAOYSA-N	300.318	1.287	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@H](O)C1CCCCC1	803439698	KVNWBDZJIYYMNV-OAHLLOKOSA-N	315.373	1.912	50	20	DDGD	
O=C(NNC(=O)c1cccc(O)n1)c1cnn(-c2ccccc2)c1	801621016	IFBIKDZTQCYMAP-UHFFFAOYSA-N	323.312	1.048	50	20	DDGD	
CCn1nc(NC(=O)NNC(=O)[C@H]2CCCCO2)cc1C1CC1	296488318	CINCTZAMZPFIKI-GFCCVEGCSA-N	321.381	1.502	50	20	DDGD	
COCCN(C)NC(=O)Cn1cc(-c2ccccc2)c(C)n1	293626582	MWIJNLGFMZJQPZ-UHFFFAOYSA-N	302.378	1.468	50	20	DDGD	
CC(=NNC(=O)c1cc(C)[nH]n1)c1cn(-c2ccccc2)nn1	814876211	NNWASDZHLZVGOU-UHFFFAOYSA-N	309.333	1.453	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)COCc1ccccc1	811643374	CRXYWLJPABCYMN-AWEZNQCLSA-N	303.362	1.364	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)O)CCC1=NNC(=O)C(=O)Nc1ccccn1	814869117	CLXRWKVMGWTOOY-ZJUUUORDSA-N	318.333	1.013	50	20	DDGD	
CN(C)c1cc(C#N)cc(C(=O)NNc2ncncc2F)c1	817077642	NRKCKNFYYSTKPO-UHFFFAOYSA-N	300.297	1.310	50	20	DDGD	
Cc1ccc(C)n1-c1ccc(C(=O)NN=Cc2cnn(C)n2)cc1	814705245	XJVJRZCEDUKFQA-UHFFFAOYSA-N	322.372	1.987	50	20	DDGD	
O=C(NN=Cc1ccc(O)c(O)c1)Nc1ccc2c(c1)OCO2	814994737	YDVRRTDGLGRPDI-UHFFFAOYSA-N	315.285	1.982	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNc2cccc(C#N)c2)nc1	815851307	ZIPDDKOVYMUUCZ-UHFFFAOYSA-N	310.313	1.887	50	20	DDGD	
NC(=O)C(=O)NN=C1CC2(CCCCC2)Oc2cc(O)ccc21	814696539	JATQSLPHMBJCGE-UHFFFAOYSA-N	317.345	1.183	50	20	DDGD	
COc1cccc2c1OCC[C@H]2NC(=O)NNC(=O)CC(C)C	725874662	LJBBVXGNXNNGDA-GFCCVEGCSA-N	321.377	1.895	50	20	DDGD	
O=S(=O)(CBr)NCC[C@]1(O)C[C@H]2CC[C@H]1C2	813721694	AXEWBOTYPHWXJF-GUBZILKMSA-N	312.229	1.199	50	20	DDGD	
CCCCN(C)C[C@H](C)NC(=O)NNC(=O)CC(F)(F)F	812456357	WHGRTRUAINNDCY-VIFPVBQESA-N	312.336	1.390	50	20	DDGD	
CCN(CC(=O)NNc1cnnn1C)Cc1ccccc1Cl	816770648	GKOIEBMSYXVQDV-UHFFFAOYSA-N	322.800	1.434	50	20	DDGD	
O=C(NNC(=O)c1sccc1OC(F)F)c1ccc[nH]1	729303215	GNNXKRRFESBTNJ-UHFFFAOYSA-N	301.274	1.752	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	824898177	DPZHWKBFFCZJRB-JOYOIKCWSA-N	314.349	1.064	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cccc(Cl)c1)CC(F)F	728929577	LXWMTDGSCWLADO-UHFFFAOYSA-N	305.712	1.298	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc3ccccc3n2)CO1	827606918	OEMQCQKKTVMJRR-PWSUYJOCSA-N	314.345	1.356	50	20	DDGD	
CO[C@@H]1CCC[C@@H](C(=O)NNC(=O)CNc2ccc(C)cc2)C1	824037360	KVJQUIGNWMLHMG-UKRRQHHQSA-N	319.405	1.760	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)c2cccc3c2CCCC3)nn1	826843590	PQWVTCYAMCWAMC-UHFFFAOYSA-N	311.345	1.211	50	20	DDGD	
CCOC(=O)NN=C(C)c1ccc(Cl)c(S(N)(=O)=O)c1	493581857	QJUZKKUNJWXNLN-UHFFFAOYSA-N	319.770	1.458	50	20	DDGD	
CNC(=O)/C(C#N)=C/c1cn(-c2ccc(F)cc2Cl)nn1	490782204	IMBDPLXJOPHLIG-XBXARRHUSA-N	305.700	1.713	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNC(=O)CCCc2ccccc2)CCN1C	825709279	SIBHGYHJROIPRV-UKRRQHHQSA-N	303.406	1.497	50	20	DDGD	
C[C@@H]1COCCN1C(=O)NNC(=O)c1ccc2ccccc2c1	728946484	DKTAIGHCWXZLRC-GFCCVEGCSA-N	313.357	1.915	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1	490905909	TVDQHIBEXGBTHZ-CYBMUJFWSA-N	306.366	1.071	50	20	DDGD	
Cc1ccc(/C=C(/C#N)C(=O)OC[C@@H]2CN(C)C(=O)O2)cc1	495729620	MPZXRCJUMCUUKK-LVOZBFFPSA-N	300.314	1.896	50	20	DDGD	
CN(C)CC(=O)NN=Cc1cccn1-c1ccc([N+](=O)[O-])cc1	727647752	GJJMSTSXASWLME-UHFFFAOYSA-N	315.333	1.397	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(F)cc(F)c1O	820935979	DYTPVCWBPZNDGT-SNVBAGLBSA-N	300.261	1.001	50	20	DDGD	
Cc1ccc([C@@H]2CCN(CC(=O)NNC(=O)C(C)C)C2)c(C)c1	829344899	DEOKXLSEQKMROM-OAHLLOKOSA-N	317.433	1.896	50	20	DDGD	
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NNC(=O)c1ccccc1C	905239055	GWTRHNTUEFOLOD-UONOGXRCSA-N	318.373	1.735	50	20	DDGD	
C[C@H](CC(=O)O)C(=O)NNC(=O)c1cccc2ncccc12	827303457	FPKGSZHIPCZXGS-SECBINFHSA-N	301.302	1.107	50	20	DDGD	
Cc1cc(C)c(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1C	730576371	DOBJDOYXDDDGEL-CYBMUJFWSA-N	308.403	1.497	50	20	DDGD	
CCN(CCO)NC(=O)CC1(NC(=O)OC(C)(C)C)CCC1	823865064	HRIQXTAUZJPDCQ-UHFFFAOYSA-N	315.414	1.169	50	20	DDGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)N=c1cc[nH]cc1)OCO2	490880978	WLQXWDYZDCPWAP-SDQBBNPISA-N	323.308	1.786	50	20	DDGD	
Cc1cc(C(=O)N2CC[C@H](B(O)O)C2)c2cnn(C(C)C)c2n1	585068683	DMBXTBITNHDXSH-NSHDSACASA-N	316.170	1.010	50	20	DDGD	
O=C(COc1ccc([N+](=O)[O-])c(F)c1)NNC(=O)C1CCC1	732142881	LPOPIEJXHJYKQY-UHFFFAOYSA-N	311.269	1.060	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(OCC(C)C)cc1	732086905	NVATZGSEKBTUIA-UHFFFAOYSA-N	316.361	1.828	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H](C(C)C)N1Cc2ccccc2C1=O	905071345	OFMFQZWVLZUNJV-CYBMUJFWSA-N	319.361	1.444	50	20	DDGD	
CCc1ccc(NCc2ccc(B(O)O)cc2F)cc1OC	585044512	LRMBWNLATDSFBY-UHFFFAOYSA-N	303.142	1.689	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C	492200036	CJIKLUAPKJISHC-ZJUUUORDSA-N	315.370	1.409	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)c2ccc(OC)c(OC)c2)n1	834920549	OUUADFGIHWBWNN-UHFFFAOYSA-N	317.349	1.388	50	20	DDGD	
CC(C)(C)C#CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	837310787	IMEXZWBALPTTET-ZDUSSCGKSA-N	302.330	1.023	50	20	DDGD	
C[C@H](N)C[C@@H](C)NC(=O)NNC(=O)C(C)(C)c1ccccc1	831212355	NYRHKRVRVPQTPO-NWDGAFQWSA-N	306.410	1.420	50	20	DDGD	
OB(O)c1cccc(-c2noc(C3C[C@H]4[C@H](C3)C4(F)F)n2)c1	585051878	GFYYXIQSAMYBFH-QWRGUYRKSA-N	306.077	1.175	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2[nH]c(C)c(C(=O)O)c2C)o1	832911640	IJNFUSHMPRNJLH-UHFFFAOYSA-N	305.290	1.306	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1O)[C@H]1C[C@H]2CC[C@H]1O2	834982807	LHEATEGQKFLCFD-YRGRVCCFSA-N	304.346	1.831	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@H]1c1ccsc1	584928226	BUTKNCGXSHBDAX-AWEZNQCLSA-N	319.166	1.544	50	20	DDGD	
CCC(CC)CN(CCC#N)C(=O)c1cc(B(O)O)ccc1F	584943373	ROVIPSXIRITRRE-UHFFFAOYSA-N	320.173	1.298	50	20	DDGD	
C[S@@](=O)CCNS(=O)(=O)c1ccc(CCCCl)cc1	735079915	HXBFZSINTPSGTP-GOSISDBHSA-N	323.867	1.515	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)c(C2CC2)n1	836790412	HBZCPOZTHIONJA-ZDUSSCGKSA-N	303.362	1.598	50	20	DDGD	
C=C(CC)CNC(=O)NNC(=O)COc1ccccc1OCC	838720303	OESVMGWYSXNLND-UHFFFAOYSA-N	321.377	1.761	50	20	DDGD	
C=C(CBr)CN1CCC[C@@]2(CCS(=O)(=O)C2)C1	831915626	OOUASMOBTFHSNF-GFCCVEGCSA-N	322.268	1.838	50	20	DDGD	
O=C(NN=Cc1cnc2ccc(-c3nn[nH]n3)cn12)C1CCCC1	738131006	ZDPKIRFHFNISTP-UHFFFAOYSA-N	324.348	1.155	50	20	DDGD	
O=C(CCc1ccc(C(=O)O)cc1)NNC(=O)NCC1CC1	739255913	KKHHEASUKWPUQX-UHFFFAOYSA-N	305.334	1.058	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C2CN(C3CCCCC3)C2)n1	837326779	VJBKPCFVNNCYMU-UHFFFAOYSA-N	303.410	1.801	50	20	DDGD	
Cc1oc(-c2ccsc2)nc1CC(=O)N1CC[C@H](B(O)O)C1	585069814	PQAIAJQZDUTMNJ-NSHDSACASA-N	320.179	1.329	50	20	DDGD	
CC(C)(O)[C@H](Oc1ccccc1)C(=O)NNc1ccnc(F)c1	831917590	ILRITHGSQFIOSH-CQSZACIVSA-N	319.336	1.882	50	20	DDGD	
O=C(c1ccc(OC2CCC2)cc1Cl)N1CC[C@H](B(O)O)C1	585067526	XQWCAWCAURVBHY-JTQLQIEISA-N	323.585	1.960	50	20	DDGD	
CN([C@H]1CCCN(c2ccccc2)C1=O)S(=O)(=O)CCl	830535677	UZVBYUVOCYGTOC-LBPRGKRZSA-N	316.810	1.640	50	20	DDGD	
O=C(NCCCCC1CCCC1)c1cc(B(O)O)ccc1F	584954283	DNMPUZSDZSKWAW-UHFFFAOYSA-N	307.174	1.596	50	20	DDGD	
Cc1ccc(C=NNC(=O)Cc2cc(O)nc(S)n2)cc1	730586661	AAQVSEBQQLXDEY-UHFFFAOYSA-N	302.359	1.472	50	20	DDGD	
CCn1cc(C=NNC(=O)[C@H]2COc3ccccc3O2)cn1	732527059	GIFXRLUWMQMEQI-CQSZACIVSA-N	300.318	1.193	50	20	DDGD	
C[C@@H](c1ccc(C(=O)NNC(=O)CN(C)C)cc1)C(F)(F)F	839640086	PKAKOUVGNJQNOF-VIFPVBQESA-N	317.311	1.675	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@@H]2CCCCO2)cnn1CC(C)C	836483310	QWVLTVQJSCTJAB-ZDUSSCGKSA-N	323.397	1.569	50	20	DDGD	
CCOCC(=O)NNC(=S)Nc1ccc(F)c(Cl)c1	731161155	MSXKFURHMADATG-UHFFFAOYSA-N	305.762	1.833	50	20	DDGD	
CC(C)[C@H](NC(=O)O)C(=O)NNC(=O)CCc1ccccc1	736373219	BHVHSMLCTRMJHO-ZDUSSCGKSA-N	307.350	1.059	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CC2CCN(C)CC2)c1F	837061664	PYTXBQRELKZIEA-UHFFFAOYSA-N	323.368	1.787	50	20	DDGD	
COCCN(C)NC(=O)COCc1nc2ccccc2s1	837620796	FVVDIPXDGYDHDH-UHFFFAOYSA-N	309.391	1.422	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccc2ccccc2n1)n1cccn1	918184982	WCLNWTWQVWNGCH-NSHDSACASA-N	309.329	1.454	50	20	DDGD	
O=C(NCCNC(=O)C1CC1)NNc1ccc(F)cc1Cl	913898330	COIVIAIGVSEMAT-UHFFFAOYSA-N	314.748	1.631	50	20	DDGD	
O=C(NNS(=O)(=O)c1cc(F)ccc1Cl)C1CCC1	732048344	ZYLCLHZBFYKHTO-UHFFFAOYSA-N	306.746	1.589	50	20	DDGD	
CCC/C=C\C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C	734241471	GFIODCGSNXSTDD-FPLPWBNLSA-N	314.386	1.198	50	20	DDGD	
CCc1cnccc1[C@@H](C)NC(=O)NNC(=O)[C@H]1CCCCO1	836385108	COTBZWFOILQQNU-BXUZGUMPSA-N	320.393	1.605	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2CCC[C@@H](C(=O)O)C2)n1	831972837	RUBWAVNYMQMOEY-VHSXEESVSA-N	308.338	1.128	50	20	DDGD	
CO[C@H](C1CC1)[C@H](C)NC(=O)NNC(=O)c1ccccc1F	836429353	QHLOHHUPSYRKHK-ZANVPECISA-N	309.341	1.583	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=S)NCC(C)C)cc1C	916546717	WVVNTTFYMJMJFT-UHFFFAOYSA-N	322.434	1.393	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccccc1OC(F)F	843650165	ZLVPJFIBBWGQLK-BDAKNGLRSA-N	314.288	1.474	50	20	DDGD	
CC(=O)NCC(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	912585264	QCKWOYFNYMZSHC-LBPRGKRZSA-N	300.475	1.745	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccc3n[nH]cc3c2)cc1	746576904	JOHNTGIHXPAWDR-UHFFFAOYSA-N	324.340	1.711	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C2CC2)nnn1-c1ccc(F)c(F)c1	843751789	CGUGQRBPPBTZGZ-UHFFFAOYSA-N	321.287	1.025	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1ccnc(C)n1	917392885	WBFOOLAASOCIDD-UHFFFAOYSA-N	320.736	1.522	50	20	DDGD	
CCOc1ccc(Cl)c(NC(=O)NNC(=O)CCCN)c1	841257024	JCMWFHSDHGFDEA-UHFFFAOYSA-N	314.773	1.630	50	20	DDGD	
CC(C)(O)[C@@H](O)C(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	912583441	WQUSLCGRLFIQEF-RYUDHWBXSA-N	317.502	1.741	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)NC[C@@]1(C)C[C@H]1Br	912827222	KKQGHPNZCBDWIS-KBVBSXBZSA-N	303.200	1.287	50	20	DDGD	
CSc1ccc(CCCC(=O)NNC(=O)CN(C)C)cc1	844133403	XWEDVCRJHMFLCC-UHFFFAOYSA-N	309.435	1.440	50	20	DDGD	
CSCC[C@H](O)C(=O)NNc1ncnc(Cl)c1C(C)C	840546982	GWHGASUUJDLDOF-QMMMGPOBSA-N	318.830	1.811	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2nn(-c3ccccc3)cc2O)CO1	842521266	HMKUAOSCBGSCJG-JTQLQIEISA-N	300.318	1.473	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccnn1C1CCCC1	843655722	WGBHSLDBZZMRBM-PWSUYJOCSA-N	306.366	1.184	50	20	DDGD	
CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)c1ncccn1	841591027	SSRMYNPZJLOZKL-MNOVXSKESA-N	305.382	1.635	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)COc1ccc(OC)cc1	749757545	OISIPEWTSFSCAW-JTQLQIEISA-N	311.407	1.368	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2ncnc(Cl)c2C(C)C)n1	840545427	TUXVEAUQKGNOSM-UHFFFAOYSA-N	323.788	1.930	50	20	DDGD	
CC(C)CN1C[C@@H](C(=O)NNc2ccc(Cl)nc2)CC1=O	743818640	HBFBAWZPKYDNIL-JTQLQIEISA-N	310.785	1.683	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2nccn2C1)c1ccccc1F	746285328	KXCQCGKQHYXKPS-SNVBAGLBSA-N	302.309	1.046	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1scnc1C1CCCC1	843657459	PGXSQWHPMWNXKL-MWLCHTKSSA-N	323.418	1.987	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)/C(C#N)=C\c1ccc(F)cc1	843974044	MQQLCVFEVNCYRO-SZVJIJLYSA-N	317.320	1.305	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-]	748005662	FFSKDPPDRXQCKW-UHFFFAOYSA-N	306.238	1.291	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1	910177262	KAAWQZHUISNHLT-VHSXEESVSA-N	313.379	1.419	50	20	DDGD	
CC(C)Cc1c[nH]c(C(=O)NNC(=O)NCC(F)(F)F)c1	840446565	WABLLYKCQFMAOF-UHFFFAOYSA-N	306.288	1.720	50	20	DDGD	
CC[C@H](CO)C(=O)NNc1cc(OC)ccc1Br	840551807	ZHANUVUBARVSKQ-MRVPVSSYSA-N	317.183	1.919	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCC2(N)CCCCC2)cc1	841922278	FPLDTMMNVBGDNX-UHFFFAOYSA-N	315.377	1.164	50	20	DDGD	
CSc1ccc(C)c(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	843643303	LZTBATJAYOWYFS-PWSUYJOCSA-N	308.403	1.903	50	20	DDGD	
N#Cc1ccc(NNC(=O)Cn2cc(Br)cn2)cc1	748117936	SWNJCVHJPNVQDA-UHFFFAOYSA-N	320.150	1.661	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCn1nc(C(F)(F)F)cc1C	924384269	RUIQYDIINXXIEP-UHFFFAOYSA-N	323.275	1.123	50	20	DDGD	
COC(=O)C12CC(C(=O)NNc3nccnc3C(C)C)(C1)C2	843869476	RDELFRGWSGERMK-UHFFFAOYSA-N	304.350	1.386	50	20	DDGD	
C[C@H](CCN)NC(=O)NNC(=O)Cc1ccc2ccccc2c1	841967037	JRQMQKIXJODMMT-GFCCVEGCSA-N	314.389	1.450	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2CCc3ncncc3C2)C[C@@H]1Br	857385453	IGHLGCANRZFDPW-DUFXMDAXSA-N	324.222	1.871	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)C1CC(F)(F)C1	855831653	AHVUBMKWOBCDTE-UHFFFAOYSA-N	319.352	1.122	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)CSCc1cccnc1)C1CC1	855102290	JEINFAQSQKOJCY-JTQLQIEISA-N	324.475	1.609	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CCOC1	754272645	WYCSFWRDMDPUSI-MRXNPFEDSA-N	314.345	1.060	50	20	DDGD	
CS(=O)(=O)CCCCOC(=O)/C(C#N)=C\c1ccc(O)cc1	759899562	RYJYKEWVOHSUDB-RAXLEYEMSA-N	323.370	1.667	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCO2)OCC(F)(F)F	856026887	QELNZPPHLKNDML-UHFFFAOYSA-N	306.196	1.349	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C2(CC)COC2)cc1OC	755051881	ISGQZCHHHINELH-UHFFFAOYSA-N	322.361	1.282	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(NC(=O)OC(C)(C)C)nc1	858112520	OYXGDWXKDJAKIM-UHFFFAOYSA-N	324.337	1.820	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C1CC1	920053105	CQBCSMODXLVMON-HZMBPMFUSA-N	319.361	1.203	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1CC1	852594884	OOUMCHDSVVKPDD-JTQLQIEISA-N	314.386	1.030	50	20	DDGD	
CSC(C)(C)C(=O)NNC(=O)COc1ccccc1F	854194350	ZBPUZGKUJHQXGV-UHFFFAOYSA-N	300.355	1.494	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@H]1Cc2cc(F)ccc2O1	855091509	SUMGVVOHHADOQZ-CYBMUJFWSA-N	323.393	1.425	50	20	DDGD	
C[C@H](Oc1ccccc1)C(=O)NNC(=O)OCC(F)(F)F	856026960	SUKKCNFTCQITFD-QMMMGPOBSA-N	306.240	1.774	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(C2CC2)[C@@H](C)C#N)c1	852482055	SFCBMHPPFAQDPE-LBPRGKRZSA-N	300.362	1.133	50	20	DDGD	
Cc1cc(C(F)(F)C(=O)NNC(=O)C(C)C)cnc1Cl	929288106	PKNYBEWHMSYVLL-UHFFFAOYSA-N	305.712	1.939	50	20	DDGD	
COCC(C)(C)C=NNC(=O)c1cccc(S(C)(=O)=O)c1	754932439	KKYRFKMJUJRGPL-UHFFFAOYSA-N	312.391	1.478	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C(C)C)N1C[C@H](C)O[C@H](C)C1	921202957	MREFISMOAZGSOO-GUTXKFCHSA-N	313.442	1.314	50	20	DDGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCOCN2)c(C)n1CC(C)C	928954077	WETJIPNCDCVIKZ-PXNMLYILSA-N	316.405	1.989	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@@](C)(O)CC)cc1	929243847	ICWOEMHYHNBVJX-AWEZNQCLSA-N	311.407	1.564	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)nn1	929258651	ZFJRIVQDMOAHRN-UHFFFAOYSA-N	317.393	1.275	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Cc1ccn(-c2ccccc2)n1	756914197	NMPUSSIOHIBENY-UHFFFAOYSA-N	300.362	1.608	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2c(c1)C[C@@H](C)O2	855006953	RGLMBBDWDLDFKD-GBIKHYSHSA-N	304.346	1.196	50	20	DDGD	
O=C(Cc1ccc(-n2cnnc2)cc1)NNc1ncccc1F	857503873	QSYPQNFESWLBEP-UHFFFAOYSA-N	312.308	1.487	50	20	DDGD	
NC(=O)c1cccc(C=NNC(=O)CCN2CCCCCC2)c1	755580235	ZFFRGKHNPIGLGI-UHFFFAOYSA-N	316.405	1.502	50	20	DDGD	
COC[C@@H]1CCCN1C(=O)NC[C@]1(C)C[C@H]1Br	856898621	DCIDYKAMBKNIMA-UMNHJUIQSA-N	305.216	1.980	50	20	DDGD	
C[C@@]1(CNC(=O)NCC2(CO)CCC2)C[C@@H]1Br	856954418	YKRIDMPLGULGNX-ONGXEEELSA-N	305.216	1.622	50	20	DDGD	
C[C@]1(C(N)=O)CCN(C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	856897529	NPIIRJJHSGVNMN-KPXOXKRLSA-N	318.215	1.067	50	20	DDGD	
CS[C@@H](C)CNC(=O)NNc1ccccc1S(C)(=O)=O	752224959	NVNOWYQTMXSXNW-VIFPVBQESA-N	317.436	1.468	50	20	DDGD	
COCCCNC(=O)NN=Cc1c[nH]nc1-c1ccccc1	755668138	HEXBCAJJXIKDHA-UHFFFAOYSA-N	301.350	1.746	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCC(=O)N1)c1c(Cl)cccc1[N+](=O)[O-]	863148054	RYTIDONLRWKXAT-SECBINFHSA-N	324.724	1.367	50	20	DDGD	
COC(=O)c1cc(C(=O)NNC(=O)C2CCCC2)ccc1C	864845501	WOTWLWZISMJAHR-UHFFFAOYSA-N	304.346	1.733	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2oc3ccc(F)cc3c2C)n[nH]1	765588378	YUCYMCYCEUMOQJ-UHFFFAOYSA-N	316.292	1.987	50	20	DDGD	
CCc1cccc(CC)c1S(=O)(=O)N1CC[C@@H](B(O)O)C1	864230601	AXEXOXACNFNCHA-CYBMUJFWSA-N	311.212	1.049	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2C[C@H](C)[C@@H](O)C2)cc1	769126778	JEOIFXJDRKOMLS-OVHXWXKMSA-N	300.358	1.831	50	20	DDGD	
CC(=O)N1CCc2c(NC(=O)NNC(=O)C(C)(C)C)cccc21	769263926	YZNHTKAVWQRYBX-UHFFFAOYSA-N	318.377	1.794	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CSc1ccccc1O)C(F)(F)F	764046561	NZRYYNCLPDZGNO-ZETCQYMHSA-N	322.308	1.830	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)c2cc(Cl)ccc2O)CCC1=O	763496908	NBUUNPJKFHJRQY-RKDXNWHRSA-N	324.764	1.812	50	20	DDGD	
COc1ccc(NNC(=O)CN(C)C2CCC2)c([N+](=O)[O-])c1	863897419	HERGUTSJLPLHHJ-UHFFFAOYSA-N	308.338	1.531	50	20	DDGD	
CCOC(=O)C[C@H](C)CNC(=O)NNC(=O)CC(C)(C)C	760369573	BPOHNNSALOQBKW-JTQLQIEISA-N	301.387	1.342	50	20	DDGD	
O=C(NNC(=O)C1(F)CCOCC1)c1ccc(Cl)cc1	864421796	PHYYEKWWXRBOEE-UHFFFAOYSA-N	300.717	1.620	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCc1cnn[nH]1)c1ccccc1	865692849	GUSVDZINVVTIMM-CYBMUJFWSA-N	301.350	1.079	50	20	DDGD	
CC#CCCCC(=O)NNC(=O)c1cc(OC)cc(OC)c1	767044950	LKMZWLCWQWDRHI-UHFFFAOYSA-N	304.346	1.658	50	20	DDGD	
COCC(=O)NN=C(C)c1cc(Br)ncc1F	762434517	PXOYVMMGNZSWJB-UHFFFAOYSA-N	304.119	1.470	50	20	DDGD	
C[C@@H](NNC(=O)CNc1ccccc1[N+](=O)[O-])C(F)(F)F	862309482	QZYIVMOVBPLYQI-SSDOTTSWSA-N	306.244	1.578	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)C1(F)CCOCC1	866730316	UYHMJODVGGYMTM-UHFFFAOYSA-N	316.354	1.052	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@]1(C2CCCC2)CCNC1=O	861294245	QNNQKZMLNQHTOM-MRXNPFEDSA-N	302.378	1.530	50	20	DDGD	
Cc1cc(C(=O)NN=C2CN(C(=O)OC(C)(C)C)C[C@H]2C)n[nH]1	863103054	IVICFVSVLIQTKK-SECBINFHSA-N	321.381	1.691	50	20	DDGD	
COc1cc(C(=O)NNC(=S)Nc2cccc(C)c2C)on1	768691107	OYDGBDCYRZAPNG-UHFFFAOYSA-N	320.374	1.931	50	20	DDGD	
COCCOCC(=O)NNC(=O)[C@H]1CCC[C@@H]1c1ccccc1	869904111	PVHRCHSSAVBZDB-CABCVRRESA-N	320.389	1.381	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCc2ccc(OC)cc2CC1	760924118	FDFCFZHXXRIGIG-LBPRGKRZSA-N	319.405	1.042	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNc1cccc([N+](=O)[O-])c1C	763105234	SGFQXGCQLPZNGU-UHFFFAOYSA-N	309.322	1.936	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CSc1cnccn1	768398748	IDTDKUKQBFEHNM-UHFFFAOYSA-N	316.386	1.267	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cccnc1-n1cccn1	876464269	RIUOIPCMBPXKEQ-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCn1ccc(C(F)(F)F)n1	873150681	OBAGVJGCZDJVGQ-UHFFFAOYSA-N	321.303	1.278	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CC2OCCO2)cc1C	873762992	KFUWXMCLCOUUEM-UHFFFAOYSA-N	309.391	1.384	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2C[C@H]3COC[C@H]3C2)cc(C#N)n1C	872320691	IIMUACUZZBKLLQ-QDHVLGFMSA-N	310.357	1.217	50	20	DDGD	
Cc1cc(=NNC(=O)NCCOCc2ccccc2)cc[nH]1	875337374	PKHYSFLOXGBAMB-UHFFFAOYSA-N	300.362	1.655	50	20	DDGD	
CC(C)c1nccn1CC(=O)NNC(=O)Cc1ccccc1F	874448791	YDOYTVLROGCIPF-UHFFFAOYSA-N	318.352	1.536	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cccc3nccn23)cc1	770639872	MPUMJTYBLQVKDM-UHFFFAOYSA-N	308.341	1.972	50	20	DDGD	
CN1CCC[C@@H](NC(=O)NNc2c(F)cccc2Cl)C1=O	771332256	AJNBHJWBUMFNQE-SNVBAGLBSA-N	314.748	1.726	50	20	DDGD	
CC(C)n1cc2c(n1)[C@@H](NCc1ccc(B(O)O)cc1)CCC2	877376575	UHTJPGYFFJJETC-INIZCTEOSA-N	313.210	1.311	50	20	DDGD	
CC1(F)CCN(CC(=O)NNC(=O)c2ccc(F)cc2)CC1	879380886	AFHBTDCEWMWAMW-UHFFFAOYSA-N	311.332	1.411	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C[C@H]2C=CCC2)cn1	874956925	UFGXGKPPAOSSLZ-JTQLQIEISA-N	306.391	1.764	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnc(Cc2ccccc2F)s1	772423198	IVSZIPVRMZMRAO-UHFFFAOYSA-N	322.365	1.837	50	20	DDGD	
C#CCCCCC(=O)NNC(=O)c1cc(OC)cc(OC)c1	773180333	OUVVZPJFNJEZQX-UHFFFAOYSA-N	304.346	1.658	50	20	DDGD	
Cc1cc(NNC(=O)c2cccc([S@](C)=O)c2)nc(C)n1	771734967	KPCOJCLMUUSYAT-NRFANRHFSA-N	304.375	1.588	50	20	DDGD	
CN(CCC(=O)O)C(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	776638413	VIBRHLUPKCUQGX-YGOYTEALSA-N	304.184	1.873	50	20	DDGD	
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)C(C)C	777913626	OYPOLOZJEGOJRL-UHFFFAOYSA-N	319.314	1.008	50	20	DDGD	
O=C1Nc2c(F)cc([N+](=O)[O-])cc2C1=NNC(=O)C1CCC1	774384099	BBZBCXATCOCKBU-UHFFFAOYSA-N	306.253	1.306	50	20	DDGD	
Cc1ccc(CC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)o1	772214546	ZQNWZJYQTPHOHZ-LLVKDONJSA-N	310.350	1.256	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc2ccccc2n1C	772039289	NQXWUHHDSUYDAB-JTQLQIEISA-N	317.345	1.281	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@@H](C)c1ccccc1F	772074301	FTCGEIKLINSCAR-GHMZBOCLSA-N	324.352	1.808	50	20	DDGD	
CS(=O)(=O)Cc1ccc(C(=O)NNc2ccccn2)cc1	777474872	ASEIRBHHBGKWIO-UHFFFAOYSA-N	305.359	1.383	50	20	DDGD	
CC[C@H]1CCCCC1=NNC(=O)CNC(=O)c1cccnc1	779778555	ZFFOLFJYVXGBKQ-LBPRGKRZSA-N	302.378	1.884	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNc1cccc(S(C)(=O)=O)c1	776530067	GSGQHCSQEZEDLV-UHFFFAOYSA-N	323.374	1.381	50	20	DDGD	
CN(C)CC(=O)NNC(=O)N[C@@H](C1CCCCC1)C(F)(F)F	775995462	MIUOXYCRGOWPBZ-NSHDSACASA-N	324.347	1.390	50	20	DDGD	
COc1ccc(NNC(=O)NCc2cc(N(C)C)ccn2)nc1	1122160846	VUVNPYQZAQHTSM-UHFFFAOYSA-N	316.365	1.378	50	20	DDGD	
COC(=O)c1ccnc(NC(=O)NNc2nc(C)cc(C)n2)c1	770681001	FNVAHULEMDIENF-UHFFFAOYSA-N	316.321	1.424	50	20	DDGD	
COC(=O)c1cnc(C(=O)NNc2ccc(Cl)c(F)c2)cn1	779675675	YHFIVZLVXIZFLY-UHFFFAOYSA-N	324.699	1.813	50	20	DDGD	
CSC[C@H](C)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	772112412	ZUKBYQQYGVIAPI-UWVGGRQHSA-N	304.412	1.111	50	20	DDGD	
CCN(CCC(=O)NC)C(=O)/C(C#N)=C/c1ccc(O)cc1	888269356	CYDBRPKCDWQFEG-JLHYYAGUSA-N	301.346	1.284	50	20	DDGD	
COC1CCC(C(=O)NNC(=O)Cc2ccccc2F)CC1	780639525	XORRHFONJHTASZ-UHFFFAOYSA-N	308.353	1.721	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)cc1Cl	787265053	PLTILGIRQUGRIM-ZJUUUORDSA-N	320.780	1.946	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)c2ccc(C)c(O)c2)cc1	789425540	MURIXMCODNMDIV-UHFFFAOYSA-N	314.341	1.713	50	20	DDGD	
O=C(NNC(=O)c1c[nH]nc1C1CC1)c1cc2c(s1)CCC2	789734417	CJPCKOWBQIQPTM-UHFFFAOYSA-N	316.386	1.912	50	20	DDGD	
CC(C)[C@@H](OC(=O)/C(C#N)=C\C1CC1)C(=O)N1CCOCC1	786671724	WEEFJAKABOFMIZ-RNQWEJQRSA-N	306.362	1.273	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)C1(OC)CCOCC1	786526306	LZAHZWQUHRCXCX-UHFFFAOYSA-N	308.334	1.112	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NC[C@@]1(O)CCSC1	781095863	BJFRNJNUVYQRGZ-KWQFWETISA-N	310.257	1.780	50	20	DDGD	
Cc1cc(NNC(=O)c2n[nH]c3c2C[C@H](C)CC3)nc(C)n1	896459588	QQSXJEYQDJWZAK-MRVPVSSYSA-N	300.366	1.698	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCCCC1)c1cc(C)n(C)n1	799873450	RLBWHJSUDXEXMU-LBPRGKRZSA-N	305.426	1.691	50	20	DDGD	
O=C(CCc1cncnc1)NNC(=O)Cc1ccc(Cl)cc1	794196709	VJDHAUPVIKFENO-UHFFFAOYSA-N	318.764	1.453	50	20	DDGD	
COc1ccc([C@@H](NC(C)C)C(=O)NNc2cnccn2)cc1	896381125	PLUPXRMPGXUEQE-OAHLLOKOSA-N	315.377	1.668	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@@H]2Cc3ccc(F)cc32)n1	795121601	PEZBJOKKVDREBK-GFCCVEGCSA-N	301.325	1.465	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NOCc2ccccc2)n1	792780834	SQNVLMZQDQNIDZ-UHFFFAOYSA-N	300.318	1.466	50	20	DDGD	
CS[C@@H]1CC[C@@H](NC(=O)NNC(=O)c2cccc(C)n2)C1	792964819	HVHWWORZVOCLNK-GHMZBOCLSA-N	308.407	1.618	50	20	DDGD	
CC[C@H](C)CC[C@@H](O)CC(=O)NNc1ccc(C(=O)OC)cn1	793735931	RZUCOGYWDYVNLM-WCQYABFASA-N	323.393	1.889	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cn(C(C)(C)C)nn2)c1	790867982	TZYFFZZAMHCNFP-UHFFFAOYSA-N	317.349	1.577	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H]1Cc2ccc(F)cc21)C1CC1	798127362	IPTSXGUCUHDLLD-ISVAXAHUSA-N	307.394	1.759	50	20	DDGD	
COc1ccccc1-n1nccc1C=NNC(=O)NC(C)C	797401733	MFWPEDHJGUBHHX-UHFFFAOYSA-N	301.350	1.922	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)CCc1ccccc1O	795084181	CFASCZPPVACYMC-NHYWBVRUSA-N	308.378	1.533	50	20	DDGD	
CCN(CC(=O)NNC(=O)NCC(F)(F)F)c1ccccc1	798315190	PJERAUVFTSCQCB-UHFFFAOYSA-N	318.299	1.406	50	20	DDGD	
CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N(C)N)C1	1573956480	DUHWTMYRBMNWND-XJKSGUPXSA-N	321.377	1.135	50	20	DDGD	
CCOC(=O)COc1ccc(C=NNC(=O)NC(C)C)cc1	1318945836	PLQPCMZESOQMIL-UHFFFAOYSA-N	307.350	1.670	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNC(=O)c1ccc(OC)cc1	1318531846	PDTUSONEUKQAMI-AWEZNQCLSA-N	305.378	1.331	50	20	DDGD	
CC1(C)CCc2nc(O)c(C(=O)NNC(=O)C3CCC3)cc2C1	1319365111	HNMPZQQDHJISMN-UHFFFAOYSA-N	317.389	1.863	50	20	DDGD	
C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC=C(C#N)CC1	272655167	FZWNTWFVOJYCFY-ZDUSSCGKSA-N	313.357	1.984	50	20	DDGD	
CCOC(=O)c1ncc(C(=O)NNc2cc(C)nc(C)n2)s1	1324811709	PDDXXGYYIANROY-UHFFFAOYSA-N	321.362	1.484	50	20	DDGD	
CC(C)(C)OC(=O)c1cccc(NC(=O)NNC(=O)CCO)c1	1326076827	HXYLTMJXZCHESH-UHFFFAOYSA-N	323.349	1.177	50	20	DDGD	
CC[C@@H](C)n1ncc(NC(=O)C(=O)NNc2cccnn2)c1C	1320707084	KOYHTVBFOIRVCR-SECBINFHSA-N	317.353	1.034	50	20	DDGD	
CCOC(=O)C[C@@H]1CCCN1C(=O)NNC(=O)C1CCCC1	1320735727	WZNNTHGOYTVHFB-LBPRGKRZSA-N	311.382	1.335	50	20	DDGD	
CC(=O)c1cccc(NC(=O)C(=O)NNc2cc(C)ncn2)c1	1320704201	WJBYPOGDZSHDFD-UHFFFAOYSA-N	313.317	1.069	50	20	DDGD	
Cc1ncccc1CC(=O)NNC(=O)Cc1ccc(F)cc1	1328864444	PFVXIEHDNALSKA-UHFFFAOYSA-N	301.321	1.462	50	20	DDGD	
Cn1ccc(CCC(=O)NNC(=O)c2ccccc2Cl)n1	1330268429	WERLGBCEPQXHHG-UHFFFAOYSA-N	306.753	1.467	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1c[nH]cc(Cl)c1=O	1343490359	LAOTUUAAIYCBCC-UHFFFAOYSA-N	323.711	1.171	50	20	DDGD	
C=C(C)CN(CC)C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1347962823	AUKQXNUNNKMCJM-GXFFZTMASA-N	317.227	1.701	50	20	DDGD	
CC(C)CC(=O)N1CCCC[C@@H]1C(=O)NN=c1cc[nH]cc1	1346519387	JFAGBUDTHJEMAK-CQSZACIVSA-N	304.394	1.374	50	20	DDGD	
CNC(=O)CN1CCC(NC(=O)C2CCC(Cl)CC2)CC1	1518889483	JJSCPYIXAJKSMI-UHFFFAOYSA-N	315.845	1.111	50	20	DDGD	
O=C(CC1(O)CCC1)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1606492092	VGMDDDADEPIAHW-UHFFFAOYSA-N	322.756	1.268	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)O)O1	1600221233	LSGXNGVAYWNSPQ-GGZOMVNGSA-N	312.753	1.970	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=C2CC(CC(=O)O)C2)c1	1607382716	KMSRBHSFTOZKHI-UHFFFAOYSA-N	324.358	1.061	50	20	DDGD	
CO[C@H]1CCC[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1605027612	BCZQJIMRYYNDMR-RYUDHWBXSA-N	302.338	1.125	50	20	DDGD	
Cn1ccc(NC(=O)NNc2ccc(C(=O)O)cc2F)cc1=O	1600976359	YBNHJAVQDHSRIE-UHFFFAOYSA-N	320.280	1.371	50	20	DDGD	
O=C(NCCOC[C@H]1CCOC1)NNc1cccc(C(=O)O)c1	1601505388	KARLMRPTCWTFRQ-NSHDSACASA-N	323.349	1.064	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNc2cc(C)nc(C)n2)c1	1607589888	SWIKDXBOBNSSOW-UHFFFAOYSA-N	300.318	1.857	50	20	DDGD	
O=C(O)C12CC(C(=O)NNc3c(F)c(F)nc(F)c3F)(C1)C2	1601728658	LOLYWXOAMMTVPJ-UHFFFAOYSA-N	319.214	1.336	50	20	DDGD	
Cc1cc(C[C@@H](C)NC(=O)NNc2cccc(C(=O)O)c2)n[nH]1	1600188201	CHXPOTFIXVTNFY-SECBINFHSA-N	317.349	1.674	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)C2(C(=O)NC3CC3)CC2)c(F)c1	1602382617	UKHGNEMPIGRRRM-UHFFFAOYSA-N	321.308	1.026	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)C(=O)O)c1cccc(Cl)c1	1609676198	RRYAJICYHSDQRD-UHFFFAOYSA-N	313.741	1.033	50	20	DDGD	
CCCC[C@@H](C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	1609207711	QWGXZVJUYSXIER-SNVBAGLBSA-N	316.365	1.454	50	20	DDGD	
CCOC1CCC(=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)CC1	1549317977	ZHSFLGAAKRXGCZ-LWEDLAQUSA-N	309.410	1.301	50	20	DDGD	
CCn1cc([C@H]2OCC[C@@H]2C=NNC(=O)c2cnccn2)cn1	1552446427	HZNQWLUZVFGRKU-RISCZKNCSA-N	314.349	1.186	50	20	DDGD	
CC(C)C[C@H](CNC(=O)NNc1ccc(C#N)cn1)C(=O)O	1573510513	DRXYPHHJUGZQJQ-LLVKDONJSA-N	305.338	1.326	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)Nc1cccc(C(=O)O)c1	1594780055	GAPUBWIOCMMLMV-UHFFFAOYSA-N	317.276	1.990	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)S	1847868243	XRQCEUCTMKKRJM-USZNOCQGSA-N	318.870	1.914	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@H]1CC(C(=O)O)=NO1	1594332331	ROHYXIOTNFSARQ-GFCCVEGCSA-N	314.301	1.216	50	20	DDGD	
CCCn1cc(C(=O)NNc2ccc(CC(=O)O)cc2)nn1	1596112187	SYHOTPASPGYTFK-UHFFFAOYSA-N	303.322	1.072	50	20	DDGD	
C[C@@H]1CCCN1CCNC(=O)NNc1ccc(C(=O)O)cc1F	1594387929	RYWPQZBMCOEJIA-SNVBAGLBSA-N	324.356	1.634	50	20	DDGD	
COc1c(C(=O)NNc2ccc(F)c(C(=O)O)c2)ccnc1F	1599328732	YGIYRXWSPSVWOD-UHFFFAOYSA-N	323.255	1.824	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1c[nH]c(C)cc1=O	1599377383	WMZWJVMMDXDBIS-UHFFFAOYSA-N	317.301	1.147	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccc(CO)o2)ccc1C(=O)O	1776097011	CMZUTGUHQHDUPM-UHFFFAOYSA-N	318.285	1.243	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=Cc2nc3c([nH]2)CCCC3)c1	1776095928	CEUVGYVLCXEWML-UHFFFAOYSA-N	312.329	1.751	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NN=Cc1cc(C(=O)O)c(C)cc1C	1776102680	VXEZZSJFABANAQ-KBPBESRZSA-N	304.346	1.877	50	20	DDGD	
COc1ccc(C(=O)O)cc1C=NNC(=O)c1ccc(O)cc1	1776012789	NUXTVPYWFGJYPU-UHFFFAOYSA-N	314.297	1.863	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(NC(=O)C(C)C)cc1	14569491	GJGSWRZGIQDWSR-UHFFFAOYSA-N	320.418	1.576	50	20	DDGD	
O=C(COc1ccccc1)NNC(=O)Cc1ccc(F)cc1	15528970	QLVVXSZXBGTRCI-UHFFFAOYSA-N	302.305	1.595	50	20	DDGD	
C[S@](=O)c1ccc(NC(=O)NNc2ncccn2)cc1F	161149891	KKCPNPUAUDPTJS-OAQYLSRUSA-N	309.326	1.502	50	20	DDGD	
CCCCN(C)c1ccc(NC(=O)C(=O)NNC(C)=O)cc1	161262533	TVJGSMWNSBNVDB-UHFFFAOYSA-N	306.366	1.029	50	20	DDGD	
COCCC1(C(=O)NNC(=O)CNc2ccc(C)cc2)CCC1	161804006	RRKWXZMZOOTAQH-UHFFFAOYSA-N	319.405	1.761	50	20	DDGD	
N#CCOc1cc(F)ccc1NC(=O)NNc1ncccn1	162866603	RTCKWHRCVHKFDM-UHFFFAOYSA-N	302.269	1.667	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1cncc(F)c1	164842630	WQKGXOPANDKTIT-UHFFFAOYSA-N	323.711	1.958	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNc2cccc([N+](=O)[O-])c2)C1	151822391	DOWBUUWNBIJFJB-SNVBAGLBSA-N	306.322	1.296	50	20	DDGD	
CC[C@H](CC(=O)NNC(=O)C(=O)Nc1ccccn1)C(C)C	152102516	VQRCIBQPGMPVBY-LLVKDONJSA-N	306.366	1.240	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCC2(C3CC3)CC2)cc1	152291589	DXZJYNAHCDWWBX-UHFFFAOYSA-N	317.389	1.894	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2cccc(C(C)C)c2)[nH]n1	153086054	DCCPBXBTKVVSRD-UHFFFAOYSA-N	316.361	1.682	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])[nH]n1	153897245	TZJSYBHQZBFHHT-UHFFFAOYSA-N	321.268	1.149	50	20	DDGD	
O=C(O)[C@H](NS(=O)(=O)CBr)C1CCCCC1	309646656	WHCDJMCNEZMEQQ-MRVPVSSYSA-N	314.201	1.292	50	20	DDGD	
NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(CCl)cc2)C1	312758125	BBVUFWSVLQIBEK-NSHDSACASA-N	316.810	1.311	50	20	DDGD	
CN(C)C(=O)CCCNS(=O)(=O)c1ccc(CCl)cc1	390219530	ZXOOIBIBSAVJRK-UHFFFAOYSA-N	318.826	1.572	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H](c1ccccc1)N1CCSCC1	58781241	YRROUMPYIZNSAF-CYBMUJFWSA-N	323.418	1.554	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)CC(C)(C)C)NC(=O)c1ccccc1	103198610	WTOLCCSPSIEHCA-GFCCVEGCSA-N	319.405	1.779	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@@H](C)CN2CCCCC2)n1	57044151	ISJZRBSWEMVCDI-GFCCVEGCSA-N	320.441	1.842	50	20	DDGD	
COc1ccc(OC)c(C(=O)NNC(=O)c2cccn2C)c1	61224457	BPRFWTJUKOLJKN-UHFFFAOYSA-N	303.318	1.117	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCc2ccccc2)c1	25109476	RNLWOTACJJCJNN-UHFFFAOYSA-N	312.373	1.897	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@@H]1C1CCC1	103518433	WPSJAQJRSZTTGO-CQSZACIVSA-N	302.378	1.629	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1cnc2ccccc2n1	172286776	CRLCVKQCFLYHJM-UHFFFAOYSA-N	300.709	1.830	50	20	DDGD	
CS(=O)(=O)CCCC(=O)NNc1cccc(C(F)(F)F)c1	108889948	QNTHZXHODQYQAX-UHFFFAOYSA-N	324.324	1.973	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(C)c(Br)cc1C	118996855	ZSFRSHJEECLYML-UHFFFAOYSA-N	300.156	1.640	50	20	DDGD	
CC(C)NC(=O)NNC(=O)/C=C/c1ccc(OCC#N)cc1	63269680	UFHUMGPJHONKID-VMPITWQZSA-N	302.334	1.341	50	20	DDGD	
C[C@@H]1CN(CCC(=O)NNC(=O)c2ccccc2F)C[C@@H](C)O1	68194774	SIAPOCWFSGBLJC-VXGBXAGGSA-N	323.368	1.086	50	20	DDGD	
CCc1ccc([C@H](COC)NC(=O)NNC(=O)C(C)(C)C)o1	173518748	RQYVPGLELMYZRM-NSHDSACASA-N	311.382	1.906	50	20	DDGD	
COc1ccnc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c1	116163464	ILCGEAZKZAHJSN-UHFFFAOYSA-N	324.340	1.575	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)CCN(C)c1ccccc1	111232117	XWUOJMCHJGDXJQ-CYBMUJFWSA-N	306.410	1.001	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CCNC(=O)CC(C)C	173368827	ZCFAUPCSRJSBBU-UHFFFAOYSA-N	320.393	1.700	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCOC1)c1c(Cl)cccc1Cl	170813116	CBAWUQAQZKUZRK-SSDOTTSWSA-N	303.145	1.791	50	20	DDGD	
CC[C@](C)(NS(=O)(=O)c1ccc(CCl)cc1)C(N)=O	306082479	DRVDQZFPGYUPGG-LBPRGKRZSA-N	304.799	1.358	50	20	DDGD	
COc1ccc(C[C@@H](C)CNC(=O)NNc2cccnn2)cc1	179281714	DPYGHCXALZGAHU-GFCCVEGCSA-N	315.377	1.990	50	20	DDGD	
CCCNC(=O)NNC(=O)/C(C#N)=C\c1ccc(OCC)cc1	68931259	FNCBQFAIDPLVJW-RAXLEYEMSA-N	316.361	1.733	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@H]1CCN(c2ncccc2F)C1	119461867	XVGXCDPBJQZWIB-JTQLQIEISA-N	323.372	1.176	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)OC(C)(C)C)ccc1-n1cncn1	172927779	MRBCYHRLUUINKA-UHFFFAOYSA-N	317.349	1.745	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)c2cccc(F)c2)C[C@@H](C)O1	68195025	AGIGTQXQGWSUFE-TXEJJXNPSA-N	323.368	1.086	50	20	DDGD	
C[C@@H](C(=O)NNc1ccccc1Br)n1cncn1	178905189	WIPCWFNONUQIDX-QMMMGPOBSA-N	310.155	1.745	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@@H]1CCCN(CC(F)(F)F)C1	122424278	NCGKADNUPHYEIY-MRVPVSSYSA-N	321.278	1.333	50	20	DDGD	
COc1ccc2nc(NNC(=O)Cn3cccn3)c(C)cc2c1	183176294	CFNKBDPFHPDISK-UHFFFAOYSA-N	311.345	1.892	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)COc2ccc(F)cc2)nc1	184263231	BTFOMMPTPCQPAO-UHFFFAOYSA-N	318.308	1.761	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)[C@@H]3CCCO3)cc2C1	32259062	VTXMYYGQCZDQIQ-ONGXEEELSA-N	308.403	1.813	50	20	DDGD	
CC(C)NC(=O)CN(C)C(=O)/C(C#N)=C\c1ccc(F)cc1	181822814	RQXLOKLLCQSADR-JYRVWZFOSA-N	303.337	1.716	50	20	DDGD	
CC[C@@H](C(=O)NNc1nc2ccccc2c(=O)n1CC)N(C)C	124691164	SJMADAGCWIIEJG-ZDUSSCGKSA-N	317.393	1.200	50	20	DDGD	
O=C(/C=C/c1cc2ccccc2o1)NNC(=O)[C@@H]1COCCO1	73985997	HDIYBMKOFYQMTP-GJBLVYBDSA-N	316.313	1.009	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cc(C(=O)NC)ccc1C	183588306	QKOAORGVPLNJTB-SECBINFHSA-N	306.366	1.553	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2cccc(C)n2)c1	73909167	KFTBTPZLYQTCCQ-UHFFFAOYSA-N	314.345	1.272	50	20	DDGD	
CCCOc1cccc(C(=O)NNC(=O)c2cccn2C)c1	78910094	QUJUUVZQHOMGTB-UHFFFAOYSA-N	301.346	1.889	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1scnc1C1CCCC1	183549663	XMLGEGILDMDWCU-UHFFFAOYSA-N	319.390	1.528	50	20	DDGD	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NNc1ccncc1	180494687	YDNOYOIDHRDPNK-UHFFFAOYSA-N	311.345	1.334	50	20	DDGD	
C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNc1cccc(Cl)c1	180904349	SNFHHQJCDHKQFC-PRHODGIISA-N	311.769	1.059	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)C[C@H]1CCC[C@@H](C)C1	77164057	NXVWNSBOTLICDR-NEPJUHHUSA-N	311.426	1.655	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1cnn(C)c1)Cc1cccc(F)c1	73796287	FCVAACJVEQFJHD-NSHDSACASA-N	318.352	1.589	50	20	DDGD	
O=C(NNc1cnccn1)C(=O)Nc1cc(F)cc(Cl)c1	122287401	IRVRAWCHBFMYDM-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NC[C@H]1CCCC[C@@H]1O	185720526	CJXLTYNSDNEPDZ-ZENWKWHOSA-N	300.358	1.966	50	20	DDGD	
CC[C@@H]1C[C@@H](C(=O)NNC(=O)COc2cccc(C)c2)CCO1	183517197	CZNSKRLBAKTYIH-UONOGXRCSA-N	320.389	1.726	50	20	DDGD	
CC[C@H](SC)C(=O)NNc1cccc(S(C)(=O)=O)c1	181159670	UMCRTFFOALSSKN-NSHDSACASA-N	302.421	1.675	50	20	DDGD	
C[C@H](CC(=O)NNc1cccnn1)NC(=O)C1CCCCC1	77030595	MXERMDPKDXLMII-LLVKDONJSA-N	305.382	1.395	50	20	DDGD	
CC(C)OCCC(=O)NNC(=O)c1cn(C)c2ccccc12	73521341	ICSMWKHOWHXAMG-UHFFFAOYSA-N	303.362	1.754	50	20	DDGD	
COc1ccnc(NNC(=O)c2cccc(Br)n2)n1	136355857	PEFIUXDYQBETOC-UHFFFAOYSA-N	324.138	1.400	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cccc3cc[nH]c23)n1	79282323	RUEHVGWQVOCMAW-UHFFFAOYSA-N	311.345	1.442	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2n[nH]c3ccccc23)c(O)c1	80387871	ZTDPBUWZGIVXRN-UHFFFAOYSA-N	310.313	1.652	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1cncc(F)c1	133365884	MQYFGJVTRNJJEA-UHFFFAOYSA-N	303.293	1.320	50	20	DDGD	
O=C(NNC(=O)N1CC[C@@H]2OCCC[C@@H]2C1)c1ccccc1	132930762	APKPJCHPVSPZGB-KGLIPLIRSA-N	303.362	1.542	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1Cl	49468615	YAJUDGAGILQNJU-UHFFFAOYSA-N	300.702	1.601	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2ccccc12)NC1CCCCC1	192749786	LUQFFGVVWANZGT-UHFFFAOYSA-N	301.350	1.840	50	20	DDGD	
C=CCCOCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	143037535	VHKAOYMVQATNIM-UHFFFAOYSA-N	306.406	1.943	50	20	DDGD	
CO[C@H]1CCCN(C(=O)NNC(=O)c2ccc(C#N)cc2)C1	94031819	ZNBOOSPWELMYLP-ZDUSSCGKSA-N	302.334	1.023	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)n1	249310825	MBLVWJNOPXDUCI-FIQHERPVSA-N	305.382	1.936	50	20	DDGD	
CNS(=O)(=O)C1CCN(/C(=C/C#N)c2ccc(F)cc2)CC1	267500121	MJMIYFYDXOCGMR-GIDUJCDVSA-N	323.393	1.704	50	20	DDGD	
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NNC(=O)c1ccccc1	268106984	GYDPUTKYELQNNB-BXUZGUMPSA-N	302.378	1.113	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccnc(OC(C)C)c2)n1	268314160	KVPYKHGTURTQQZ-UHFFFAOYSA-N	303.322	1.424	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2CSCCS2)n1	267452532	GLZFJDFMNATNRP-MRVPVSSYSA-N	300.409	1.085	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccc(C#N)cc1)N(CC)CC	266818555	HLPHCSAMZKUVMM-AWEZNQCLSA-N	302.378	1.440	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H]1CSCN1C(=O)C(C)(C)C	276671051	DDACFARFOXVLJQ-LLVKDONJSA-N	322.434	1.781	50	20	DDGD	
C#CCN1CCC(C(=O)NNc2cccc(C(=O)OC)c2)CC1	272773039	DIFHITJAYKWCQH-UHFFFAOYSA-N	315.373	1.262	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@]2(C)CCCOC2)c(C)c1	272703154	STYXGOXXFCOYEB-QGZVFWFLSA-N	319.405	1.679	50	20	DDGD	
C[C@@](O)(CC(=O)NNC(=O)c1ccc(Cl)cc1O)C1CC1	270467498	RKLGSKJPRTZIOA-CQSZACIVSA-N	312.753	1.358	50	20	DDGD	
Cn1cc([C@H]2OCC[C@@H]2C(=O)NNc2ccc(Cl)nn2)cn1	275407893	CVHWYRIZIXBWKJ-JOYOIKCWSA-N	322.756	1.084	50	20	DDGD	
CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)COc1ccccc1O	274809602	SWCFLESODUMJGX-NSHDSACASA-N	323.393	1.085	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)[nH]n1	278749581	JLJIMPHZHFDMJS-HTQZYQBOSA-N	324.793	1.998	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnn(-c2ccccc2C)c1C	272930501	GEQUEDOYORELSE-UHFFFAOYSA-N	315.377	1.795	50	20	DDGD	
CCOC1CC(CCNC(=O)NNc2nc3ccccn3n2)C1	276867496	QCEDXWGDLYUXRL-UHFFFAOYSA-N	318.381	1.561	50	20	DDGD	
O=C1CCC[C@H](C(=O)NNc2ccc(C(F)(F)F)cc2)N1	270497282	JVFDTBPWADXPRD-SNVBAGLBSA-N	301.268	1.817	50	20	DDGD	
O=C(Cn1c(=O)cnc2ccccc21)NCC(Cl)Cl	288832974	IKJNHHXWDWKPLJ-UHFFFAOYSA-N	300.145	1.316	50	20	DDGD	
COCCN(C)NC(=O)c1cnn(Cc2ccccc2)c1C	288299800	BULIYPGCZJCZNA-UHFFFAOYSA-N	302.378	1.463	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	289466196	GVLBNWVIPDMQHD-MGPLVRAMSA-N	322.430	1.961	50	20	DDGD	
COC(=O)N(C)NC(=O)CCNc1cc(Cl)ccc1OC	286187264	CSGAJFPUZLWMEY-UHFFFAOYSA-N	315.757	1.880	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2CC2)cc1OC(C)C	280272229	OPLPQQVHJXKHMJ-UHFFFAOYSA-N	319.361	1.278	50	20	DDGD	
C[C@@H](NS(=O)(=O)CBr)[C@H](O)c1ccccc1	288391981	LSNMANUAPAEVGZ-SCZZXKLOSA-N	308.197	1.380	50	20	DDGD	
C[C@@H]1C(=O)Nc2cc(C(=O)NCCCSC#N)ccc2N1C	808025251	FVPPKBIAGWSCKK-SNVBAGLBSA-N	318.402	1.798	50	20	DDGD	
O=C(COC(F)F)NNC(=O)c1cc2ccccc2cc1O	806345966	NLXZHVMPPWEILJ-UHFFFAOYSA-N	310.256	1.546	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ncn(C(C)(C)C)n1	291648433	HXRFZEGAUVLFCV-UHFFFAOYSA-N	317.349	1.117	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNC(=O)NC2CCCCC2)c1	298662738	PQXZPQCBVYYJJW-UHFFFAOYSA-N	319.361	1.750	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1c(F)c(F)cc(F)c1F	295582934	OMWYVEXEDCVUMC-MRVPVSSYSA-N	320.242	1.573	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2cnccn2)o1	807966710	FUXSAVJEISQLKE-UHFFFAOYSA-N	301.350	1.675	50	20	DDGD	
CSC[C@@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802096661	ZHVXYATXOPZXQW-MRVPVSSYSA-N	311.363	1.567	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1C1CC1	294068335	BLZYEYNICGMBOX-BONVTDFDSA-N	318.373	1.901	50	20	DDGD	
O=C(NCc1nnc2n1CCCC2)NNc1cccc(Cl)n1	292492413	BPVBNBCYOOPNKH-UHFFFAOYSA-N	321.772	1.489	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)CCc1ccccc1O	800330419	UPYRQXWIUNCXBL-RWSFTLGLSA-N	306.362	1.286	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNc1cnnc2ccccc12	809681644	YGIOSGXRURKGLA-SNVBAGLBSA-N	302.334	1.662	50	20	DDGD	
CCc1oc(/C=C(\C#N)C(=O)OCCOC)cc1C(=O)OC	800790496	MKSSUHDEMQOVCS-JXMROGBWSA-N	307.302	1.725	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NCCCCOC	298675548	OAVSXUDCWBYVEB-UHFFFAOYSA-N	323.393	1.385	50	20	DDGD	
CC[C@H](C)CCC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	803878317	UHZNOTQSNNWJMO-RYUDHWBXSA-N	300.399	1.938	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2ccc3sccc3c2)CC1	807382631	HYXCFOZEFKTJLD-UHFFFAOYSA-N	318.402	1.503	50	20	DDGD	
O=C(NNc1cccc2cnccc12)[C@@H]1OC[C@H]2COCC[C@H]21	291355144	SQOQDBPJIMYVEE-XNRPHZJLSA-N	313.357	1.729	50	20	DDGD	
CCC[C@@H](CNC(=O)NNC(=O)COc1cccc(C)c1)OC	296190043	MOMIWQJMFFBZOS-AWEZNQCLSA-N	323.393	1.519	50	20	DDGD	
CC(C)c1ccc(C(=O)NNc2ccc(-n3ccnc3)nn2)cn1	804954364	CYHHUWPSISWOCQ-UHFFFAOYSA-N	323.360	1.938	50	20	DDGD	
CC[C@H](C)N[C@H](CNC(=O)NNc1ncccn1)c1ccco1	807442662	KOHOFLGZOFJVJM-NWDGAFQWSA-N	318.381	1.825	50	20	DDGD	
CC1(C)OCC(C)(C(=O)NNC(=O)Nc2ccccc2)CO1	801990062	UEFGHYWEDQJDMG-UHFFFAOYSA-N	307.350	1.629	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)C(F)(F)C1(O)CCC1	805469049	WFKUNWUUZMXNOW-UHFFFAOYSA-N	312.320	1.738	50	20	DDGD	
COCCCOCC(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	296197159	TYZUVUJBJFDBFR-UHFFFAOYSA-N	317.729	1.744	50	20	DDGD	
COC(=O)N(C)NC(=O)C1(NC(=O)OC(C)(C)C)CCCC1	804123841	FAGXETQELPNQNG-UHFFFAOYSA-N	315.370	1.553	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC(C)(C)[C@H]1[C@H]1CCCO1	810030138	SBDCONKIHABEPY-DGCLKSJQSA-N	311.426	1.069	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1c(C)c2ccccc2n1C	814900794	IKUZCMZBMNLIFJ-UHFFFAOYSA-N	302.334	1.293	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C(=O)NNC(=O)CC2CC2)c1C	819126485	OQUIURMMBZVSBQ-UHFFFAOYSA-N	307.350	1.369	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1c[nH]nc1C	814700872	GSXHQAJRVHBDNB-AWEZNQCLSA-N	300.318	1.398	50	20	DDGD	
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NN(C)C2CC2)C1	819647637	QEACHQDTULKAGO-ZDUSSCGKSA-N	310.442	1.580	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc(-c2ccco2)nc1O	819135882	GCBBXDWBWSELSD-UHFFFAOYSA-N	301.302	1.608	50	20	DDGD	
CO[C@H](CC(C)C)CS(=O)(=O)NNC(=O)c1ccc(C)o1	817352581	JPSDMTBLSITQDR-LLVKDONJSA-N	318.395	1.213	50	20	DDGD	
Cn1c(N)nc(Cl)c1C=NNC(=O)CCOc1ccccc1	814823801	WYBVGRWEWKGLDA-UHFFFAOYSA-N	321.768	1.575	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2ccc(C)nc2O)ccc1C	816689316	CNVULGHTFJKIIO-UHFFFAOYSA-N	315.329	1.948	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(O[C@@H](C)C#N)cc1	727684855	PIAZWQOUOYMRBN-LBPRGKRZSA-N	304.350	1.647	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNC(=O)CCc1ccccc1O	810355459	CWEHJBOACROICZ-UHFFFAOYSA-N	322.364	1.696	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)cn1	728856866	IJMYDWSOVXYOIE-UHFFFAOYSA-N	313.744	1.720	50	20	DDGD	
CCS(=O)(=O)c1ccc2oc(NC=C(C#N)C#N)nc2c1	727643389	VPTGYYYSPAYAGW-UHFFFAOYSA-N	302.315	1.964	50	20	DDGD	
CC(C)S(=O)(=O)CCNC(=O)[C@]1(C)C[C@@H]1Br	822026525	JVIFOICPTHTXTC-WCBMZHEXSA-N	312.229	1.099	50	20	DDGD	
C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)NN(C)C(N)=O)C1	495542793	DYRVRWIQJFRKIR-UWVGGRQHSA-N	314.386	1.064	50	20	DDGD	
Cc1ccc(-c2nc(C)c(C(=O)NN(C)[C@H](C)CO)s2)o1	823971173	QBJGLCXOLFESGT-MRVPVSSYSA-N	309.391	1.977	50	20	DDGD	
O=C(CC[C@@H]1CCCO1)NNc1ccc(-c2nn[nH]n2)cc1	826405496	HYYCJAFZTPAISN-LBPRGKRZSA-N	302.338	1.269	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(F)c2occc12	823476468	YTJLYNUBXTYDPO-IUCAKERBSA-N	306.293	1.758	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@@H](C)C2(CCC2)C1	827280737	DETHLPJIRPCSCS-AGIUHOORSA-N	309.410	1.664	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccnn1-c1nc(C)cc(C)n1	492821847	ZPMKLLXUXHZNRO-UHFFFAOYSA-N	319.325	1.062	50	20	DDGD	
C#CCNC(=O)C1CCN(C[C@@H](C)CBr)CC1	491103732	PUDGKYRIMVGFCP-NSHDSACASA-N	301.228	1.479	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(C)nc2[nH]nc(C)c12	726939358	DMAQSGNXCYDRBG-UHFFFAOYSA-N	304.354	1.319	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@@H]2OCCc3ccccc32)cn1	823315789	UCWDWWDAOAYJSO-BXUGYJKXSA-N	322.368	1.757	50	20	DDGD	
Cc1ccc([C@H](C)NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	825681791	NSEJSTIYUZYAMU-OUCADQQQSA-N	305.378	1.811	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1nc(-c2ccncc2)no1)[C@H](C)N	828217747	MBEPMMJMYRFFCN-ONGXEEELSA-N	304.354	1.194	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCCOC2)cc1C	727722356	JHLVJZGWXBZKQX-ZDUSSCGKSA-N	306.362	1.256	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C\c1ccc(N2CCOCC2)c(F)c1	727263899	IYYNFQSMRGWJFA-QPEQYQDCSA-N	323.331	1.829	50	20	DDGD	
N#Cc1ccc(CC(=O)NNC(=S)NCC2CCC2)cc1	727864803	DXVSWLVENGPTHM-UHFFFAOYSA-N	302.403	1.396	50	20	DDGD	
CCCNC(=O)CN(CCC)C(=O)/C(C#N)=C\c1cnn(C)c1	491043893	ASYPIXOLEYBGAS-ZSOIEALJSA-N	317.393	1.092	50	20	DDGD	
CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NCc1ccc(B(O)O)o1	585027580	BPDXYMCRVKRUPZ-MEBBXXQBSA-N	323.585	1.479	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(Cl)ccc1OCCOC	823864736	BPFRNHFUODYCBR-UHFFFAOYSA-N	316.785	1.324	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)C[C@@H](c1ccccc1)c1ncc[nH]1	823921857	DDEHUDWYPLVOGH-OCCSQVGLSA-N	302.378	1.276	50	20	DDGD	
CC(F)(F)CC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	496003134	ARWSHUSPCXREAS-UHFFFAOYSA-N	323.340	1.484	50	20	DDGD	
COC(=O)c1ccc(/C=C(/C#N)C(=O)Nc2nccs2)[nH]1	490727032	XBKWAWUPODJCBJ-VURMDHGXSA-N	302.315	1.803	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc2c(c1)CCN2C(C)=O	494364174	MZEPXKKRCUQSRY-UHFFFAOYSA-N	306.322	1.378	50	20	DDGD	
Cc1ocnc1C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	737555926	BOCCCBXPZRTSRM-UHFFFAOYSA-N	318.297	1.031	50	20	DDGD	
C[C@@H]1CCCC[C@H]1CCNC(=O)NNC(=O)c1cnn(C)c1	735515193	KSOIPGMAEBJCKW-NEPJUHHUSA-N	307.398	1.581	50	20	DDGD	
C[C@@H](OCc1ccc(F)cc1)C(=O)NNC(=O)CC(F)(F)F	825504024	LVLWKTKAYJOXPW-MRVPVSSYSA-N	322.258	1.831	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1nc2n(n1)CCCC2	491102192	HBAJPQWHHDUCQZ-FMIVXFBMSA-N	309.329	1.866	50	20	DDGD	
CC(C)c1ocnc1C(=O)NNC(=O)c1ccc2c(c1)OCO2	732051651	YCOCXIIFRCGCNY-UHFFFAOYSA-N	317.301	1.602	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)OCO2	905089682	LVBXPSVWTHTNME-FZMZJTMJSA-N	318.329	1.158	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N(C)C2CC2)cc(-c2nn[nH]n2)n1C	737212576	LAVHWUABJYMWSP-WDZFZDKYSA-N	311.349	1.041	50	20	DDGD	
CN(C)CCn1nccc1C(=O)NNc1cccc(Cl)c1	900091037	OZAOYJNUPYRRFN-UHFFFAOYSA-N	307.785	1.855	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CC(F)C2)c1C	490844047	PIDNIPLADNLJBF-AUWJEWJLSA-N	305.353	1.839	50	20	DDGD	
C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NNc1ncncc1F	495774708	NYDBVUBRIGAQCE-QMMMGPOBSA-N	313.333	1.220	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)cc1)[C@H]1OCCc2sccc21	585043525	QLNFNXWXAJZATF-MEDUHNTESA-N	317.219	1.220	50	20	DDGD	
C[C@@]1(C(=O)N2CCC(C3OCCO3)CC2)C[C@H]1Br	906500514	RAHDCEWXLXCNNP-ZWNOBZJWSA-N	318.211	1.771	50	20	DDGD	
CSc1ccccc1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	831063079	SZLFLFHIHSVDDZ-ZJUUUORDSA-N	309.391	1.986	50	20	DDGD	
Cc1ccc2c(c1C)OC[C@H]2NCc1ccc(B(O)O)cc1F	585016600	RWNAXSBGEQMWJL-MRXNPFEDSA-N	315.153	1.346	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1ncc(Br)s1	833385007	QVNGUZRYISIWNE-UHFFFAOYSA-N	321.156	1.013	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@@H]1CCCCO1)[C@@H]1C[C@H]2CC[C@H]1C2	837320429	HSQXDGAVNJDOTH-PEDHHIEDSA-N	309.410	1.711	50	20	DDGD	
O=[N+]([O-])c1cccc(Br)c1N1CC[C@@H](B(O)O)C1	900965663	MTGSZHJZKFQLGY-SSDOTTSWSA-N	314.932	1.410	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CCCC(=O)N2C)cc1F	909358956	CUGNTZSRJRZAOS-GFCCVEGCSA-N	323.324	1.066	50	20	DDGD	
C=C(CC)CNC(=O)NNC(=O)CCc1ccc(OC)cc1	836652996	DBGVNAHBXTXTHT-UHFFFAOYSA-N	305.378	1.924	50	20	DDGD	
Cc1nc(O)c2c(n1)CN(S(=O)(=O)CC(C)(C)CCl)C2	907372868	QLANPACYTRVRMI-UHFFFAOYSA-N	319.814	1.401	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1C[C@H](c2ccccc2)C[C@H]1C	734486321	FOIJSLPCUOJBHF-VNHYZAJKSA-N	303.406	1.810	50	20	DDGD	
C[C@H](OCC(F)(F)F)c1nc(-c2cccc(B(O)O)c2)no1	585053456	LCTUSRVUHWJEAU-ZETCQYMHSA-N	316.044	1.056	50	20	DDGD	
OB(O)c1ccc(CNCC2(c3ccccc3Cl)CCC2)o1	585033352	BIHRXTVQMPPUQD-UHFFFAOYSA-N	319.597	1.824	50	20	DDGD	
O=C(C[C@@H]1CCc2ccccc2C1)NNC(=O)[C@H]1CCCCO1	833250160	CUJLHLPXNSVKPZ-CZUORRHYSA-N	316.401	1.898	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1ncc(F)cc1F)C(C)(C)C	837208623	PNZGFIGABIABTC-SNVBAGLBSA-N	300.309	1.354	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](C)OCC2CC2)c(F)c1	837208839	BKQULKOFKRSJJP-VIFPVBQESA-N	310.325	1.871	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Nc2cccnc2OC)n1	747442507	TWLIHTWLPNGALM-UHFFFAOYSA-N	304.310	1.346	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cc2ccc(F)cc2s1	745991950	NGLKCADZUZYTPC-UHFFFAOYSA-N	323.349	1.727	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(Cl)c2)CCN1C	745856378	CHLXLTNEWIKTIY-MFKMUULPSA-N	324.812	1.767	50	20	DDGD	
CS(=O)(=O)CCCNC(=O)NNc1ccc(Cl)cc1F	918170260	GFUVNTNYLPORMH-UHFFFAOYSA-N	323.777	1.540	50	20	DDGD	
O=C(Cn1cnc2sccc2c1=O)NNc1cccc(F)c1	748087417	YBMCKQWOPDASQB-UHFFFAOYSA-N	318.333	1.740	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)CCc2ccccc2)c1C1CC1	749799033	UDSNCQSBRIEVRK-UHFFFAOYSA-N	312.373	1.691	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](C)C(=O)OCc1ccccc1	848256691	KIQGGNFXKWWEBS-POKNLVKOSA-N	302.330	1.678	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1ccc(C#N)cc1	916362872	PTXDBSFFPOXNIH-ZDUSSCGKSA-N	314.389	1.367	50	20	DDGD	
O=C(NNc1nc(-c2ccccn2)nc2c1CCC2)c1cocn1	748337615	JSUNRQDKWSHKKF-UHFFFAOYSA-N	322.328	1.772	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C1CCN(C(=O)CC(C)(C)C)CC1	842553172	FGNXHLYKUQSELN-JSGCOSHPSA-N	323.437	1.942	50	20	DDGD	
CC(C)(C)C(=O)NNC(=S)Nc1ccc2c(c1)OCCO2	916012670	SDONOBRAMKLITD-UHFFFAOYSA-N	309.391	1.822	50	20	DDGD	
C[C@H]1CC[C@H](C)N1CC(=O)NNC(=O)C(C)(C)c1ccccc1	746239101	CSTUFMUUKGFEBV-KBPBESRZSA-N	317.433	1.984	50	20	DDGD	
Cc1ncc2n1C[C@H](C(=O)NNc1ncncc1Cl)CC2	845993279	KLBAHEMTWQFUSR-SECBINFHSA-N	306.757	1.341	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNC(=O)c1cc2ccccc2o1)C(C)C	749476436	JVSJXXPRDCHVMG-CQSZACIVSA-N	317.345	1.355	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1noc2c1CCCC2	749798825	KCZMLLKISRDHNS-UHFFFAOYSA-N	313.357	1.947	50	20	DDGD	
NC1CCC(NC(=O)NNC(=O)c2cc3ccccc3o2)CC1	841944066	VJEQQNYFGMESQA-UHFFFAOYSA-N	316.361	1.647	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C	748635252	QOOWTIXHEHPIQC-YVECIDJPSA-N	315.414	1.193	50	20	DDGD	
CC[C@@H](C#N)C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	846094713	TYTORUFECVABQE-QMMMGPOBSA-N	312.276	1.990	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCN(C)[C@@H]1C	843754619	WULPPGIBCHSXBC-JTNHKYCSSA-N	323.368	1.081	50	20	DDGD	
Cc1cccc(OCCNC(=O)NNC(=O)CC(F)(F)F)c1	918000216	CQZXVEGMTXHCJW-UHFFFAOYSA-N	319.283	1.657	50	20	DDGD	
Cn1nncc1C=NNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1	844624547	GSFOZPMNSNPSIS-CABCVRRESA-N	313.361	1.433	50	20	DDGD	
Cn1cnnc1[C@@H]1CCCN1S(=O)(=O)CC(C)(C)CCl	867038332	JNBNHEHKWCAUHN-JTQLQIEISA-N	320.846	1.547	50	20	DDGD	
COC(=O)[C@H]1C[C@H](NC(=O)NNc2c(F)cc(F)cc2F)C1	923350690	HUZBALTZVBNLLT-FKQCQYRASA-N	317.267	1.682	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)CCc1ccccc1)[C@H]1CCCNC1	841925588	AERXPLVUVSEUEM-ZFWWWQNUSA-N	318.421	1.338	50	20	DDGD	
COCC1CCC(NC(=O)NNc2ncncc2Cl)CC1	841590257	NQVSTOGXXNMIIK-UHFFFAOYSA-N	313.789	1.961	50	20	DDGD	
COc1ccc2c(c1)CN(C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)C2	848664069	WEWKMCWHQYMQLE-IINYFYTJSA-N	319.361	1.177	50	20	DDGD	
CC/C=C(/C)C(=O)NNC(=O)c1nnc(O)c2ccccc12	747145424	ZANBGTDCMNAIKT-TWGQIWQCSA-N	300.318	1.453	50	20	DDGD	
Cn1ccnc(NNC(=O)c2ccc(Br)cc2)c1=O	747937714	LSLYFEMYPPSMFI-UHFFFAOYSA-N	323.150	1.300	50	20	DDGD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)NN)ccc1C	841008006	WWHYFXMYCPXNAD-UHFFFAOYSA-N	300.384	1.021	50	20	DDGD	
CON1CCC(NC(=O)NNc2c(F)cc(F)cc2F)CC1	922938109	LVISUTPDPIJXTL-UHFFFAOYSA-N	318.299	1.756	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1ccc2c(c1)C(C)(C)C(=O)N2	759193091	BJARNMAZZUNFQE-UHFFFAOYSA-N	323.356	1.860	50	20	DDGD	
CCn1nc(C(=O)NC[C@@]2(C)C[C@H]2Br)ccc1=O	857398319	QERMTBBPZMATRH-BXKDBHETSA-N	314.183	1.167	50	20	DDGD	
COCCCC(C)=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1	759197067	PMCWAAHFYGSKPB-AEGPPILISA-N	313.442	1.650	50	20	DDGD	
N#CCc1ccccc1CC(=O)NNC(=O)OCC(F)(F)F	856022853	NZVAXOIIGRNWKL-UHFFFAOYSA-N	315.251	1.615	50	20	DDGD	
Cc1cnn(CCC(=O)NC[C@@]2(C)C[C@H]2Br)c1	857399560	RTNCDPYTHVQYBG-ZYHUDNBSSA-N	300.200	1.871	50	20	DDGD	
CCC[C@@H](O)CC(=O)NNC(=O)c1ccc(Cl)cc1F	750366092	ZTGBAJUZFQRIPV-SECBINFHSA-N	302.733	1.791	50	20	DDGD	
Cc1c(NNC(=O)CC[C@@]2(C)CCC(=O)N2)cccc1[N+](=O)[O-]	753429479	JRBBKGLYSRGMFT-OAHLLOKOSA-N	320.349	1.795	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2ncc(Cl)cn2)C1	857355926	BVXNZPKIGCOWIP-RKDXNWHRSA-N	312.757	1.553	50	20	DDGD	
CC[C@@H](C)[C@@H](C)NCC(=O)NNC(=O)c1ccc(C#N)cc1	754167311	IYQBTHMLKOOODC-VXGBXAGGSA-N	302.378	1.343	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2nc(Cl)ccc2F)n1	759249726	SZIDJIKKSODVOL-UHFFFAOYSA-N	311.704	1.738	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@@H]3COC[C@@H]32)C[C@H]1Br	856892299	DPJLXXUCRXCLSP-LSCVPOLPSA-N	317.227	1.980	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1nc2c(s1)COCC2	756626225	AZSSRNNNKYLOFT-UHFFFAOYSA-N	319.346	1.077	50	20	DDGD	
O=C(NNC(=O)C1CCC1)NC1CCC(N2CCCCC2)CC1	751103363	PCXKIDJVCOUNFA-UHFFFAOYSA-N	322.453	1.914	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1c[nH]c2ccccc12	752735419	VQCQMAKBHAQJKE-UHFFFAOYSA-N	308.432	1.640	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)c1cc(C)nc2ccccc12	755639843	OJPCYHZLAIKLRN-LLVKDONJSA-N	315.373	1.977	50	20	DDGD	
COC[C@@H]1CCCN1C(=O)NNC(=O)c1cccc(C#N)c1	752007927	YLXIBQGKOVLGTC-ZDUSSCGKSA-N	302.334	1.023	50	20	DDGD	
Cc1nnc2ccc(C(=O)NNc3ncccc3[N+](=O)[O-])cn12	759300346	CAHGDOUQNGTBEU-UHFFFAOYSA-N	313.277	1.098	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H]2C[C@]23CCOC3)ccc1C	857267253	QNHGUTDQYOJBJY-CJNGLKHVSA-N	304.346	1.651	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(-c2ccccc2)cnc1C	757782991	UBWZKZBYTLAHHP-UHFFFAOYSA-N	314.345	1.856	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCCC1(C)OCCO1	759329675	YZZLKXIEILTFSS-UHFFFAOYSA-N	322.365	1.484	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@@H](C)c2nccn2C)cc(C#N)n1C	856277239	GWSDDYWOACFPKM-ODYDIQAQSA-N	322.372	1.723	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)c2cc(C)[nH]n2)C[C@H]1C	758119695	UACAPLOTFCFANB-SKDRFNHKSA-N	306.366	1.803	50	20	DDGD	
C[C@H](C(=O)NC[C@@]1(C)C[C@@H]1Br)N1CCSCC1	857395380	XDLZDDMWEYBWEY-JFGNBEQYSA-N	321.284	1.713	50	20	DDGD	
COC[C@@]1(CO)CCN(C[C@@H](CBr)C2CC2)C1	859326360	MGRARPBASJUWJM-OLZOCXBDSA-N	306.244	1.738	50	20	DDGD	
CC(=O)N1CCc2cc(NC(=O)NNC(=O)CC(C)C)ccc21	755535135	JKOOHEKVYFIMDO-UHFFFAOYSA-N	318.377	1.794	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2sccc2OC)nc1	759729396	KEUQURYZUPYAEQ-UHFFFAOYSA-N	307.331	1.695	50	20	DDGD	
C[C@@H]1CN(C(=O)NC[C@@]2(C)C[C@H]2Br)CCCO1	856952608	CMXRWDFNKXTOIC-CKYFFXLPSA-N	305.216	1.980	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@]1(C)CC(c2ccccc2)=NO1	857169796	VOUVPHDLSQOUNO-OAHLLOKOSA-N	304.350	1.262	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2cc(F)ccc21)[C@H]1CCCCO1	854683219	LZVNZMJRTHRBIT-ZIAGYGMSSA-N	306.337	1.572	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C	859302680	CGCQODZSKMTPAN-PUHVVEEASA-N	306.362	1.516	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=C1C(=O)Nc2cc(O)c(Cl)cc21	853369491	YTMOYENIPZVCKT-RQJHMYQMSA-N	323.736	1.243	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1nn(CCCOC)cc1C	931599968	PZSWCCCTWKSYMZ-UHFFFAOYSA-N	321.381	1.184	50	20	DDGD	
CC(=O)N[C@H](CCC(C)C)C(=O)NNc1ncc(Cl)cn1	857358682	FNTQWXUVFIMHMJ-LLVKDONJSA-N	313.789	1.514	50	20	DDGD	
CN1C[C@H](C(=O)OC[C@H](CBr)C2CC2)CC1=O	859492798	RROKZGXIXVCZPY-ZJUUUORDSA-N	304.184	1.429	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ncc2ccccc2c1O	854682724	GBRQVDHNUOUWCJ-LBPRGKRZSA-N	315.329	1.271	50	20	DDGD	
CCn1nc(C(=O)NN=CCCSC)c2ccccc2c1=O	755542598	SABYYGXAMOLCEC-UHFFFAOYSA-N	318.402	1.885	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccnc(-c2ccco2)c1	930734910	RTWZINWEEQDPPU-UHFFFAOYSA-N	300.318	1.696	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2	860540767	IYPQEVMCKPXHHD-KWBADKCTSA-N	301.481	1.671	50	20	DDGD	
Cc1cccc2sc(NNC(=O)N[C@@H](C)C(=O)N(C)C)nc12	868535736	WUHNQLCQEANGDA-VIFPVBQESA-N	321.406	1.708	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN(CC(F)F)C1)C1CCCC1	864845465	VRIHCOQPGUMXBB-LLVKDONJSA-N	303.353	1.301	50	20	DDGD	
C[C@H](NNC(=O)CSc1nnc(S)s1)C(F)(F)F	862311387	NHGXLUYKDJJGQF-VKHMYHEASA-N	318.371	1.491	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNC(=O)[C@@H](CC)c1ccccc1	865695841	QOYJRVMPUGFHFP-KBPBESRZSA-N	305.378	1.242	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2cn[nH]c2)cnn1C1CCCC1	862470355	NSXWOPLVMSIMFY-UHFFFAOYSA-N	316.365	1.359	50	20	DDGD	
COCCCNC(=O)NN=Cc1ncccc1C(F)(F)F	765572221	OGCGREOPNUOTLC-UHFFFAOYSA-N	304.272	1.770	50	20	DDGD	
CNc1c(C(=O)NNC(=O)CC(F)(F)F)cccc1[N+](=O)[O-]	765856633	UDPIVRVSWGGZQT-UHFFFAOYSA-N	320.227	1.350	50	20	DDGD	
CCC[C@@H]1C(=O)NCCN1C(=O)[C@@H](Br)C(C)(C)C	768367145	CZFCKRNIKXOFQK-NXEZZACHSA-N	319.243	1.923	50	20	DDGD	
Cc1ccc(C)c(CC(=O)NNC(=O)Cc2cc(C)[nH]n2)c1	869012403	PMPJUKOREUBRGO-UHFFFAOYSA-N	300.362	1.268	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)CNc1ccc(C)cc1C)C1CC1	863855047	LHRIBZJHTNHBIF-MRXNPFEDSA-N	319.405	1.678	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=C2CCC[C@@H]2c2ccc(F)cc2)N1	863149260	WAJWZRMVRXVODX-OCCSQVGLSA-N	303.337	1.844	50	20	DDGD	
Cc1cccc(CC(=O)NNc2cnnn2C)c1Br	863920884	YSBVWXSQZTZYGM-UHFFFAOYSA-N	324.182	1.572	50	20	DDGD	
CC(=NNC(=O)[C@H]1COc2ccccc2O1)c1cscn1	767893230	NGBAWSWWZWUZHU-CYBMUJFWSA-N	303.343	1.823	50	20	DDGD	
C/C(=C/C1CCC(C)CC1)C(=O)NNC(=O)Cc1cc[nH]n1	865198682	LDBXEKJIRZNFPQ-XFXZXTDPSA-N	304.394	1.872	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CCN2C2CCCC2)cc1	862468344	VSDDMPNVHUTYJZ-HNNXBMFYSA-N	312.373	1.336	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC(=NNC(=O)c2cn[nH]c2)CC1	863154843	NURHFKGQCAKYRE-UHFFFAOYSA-N	307.354	1.526	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](Cc1ccncc1)C(=O)OCC	768259593	JGBSKTUMHSAJHS-YBEMTRGBSA-N	317.345	1.116	50	20	DDGD	
CCCc1c(C(=O)NNC(=S)NC(C)C)[nH]c(C)c1C(C)=O	1115865812	CNWDYBYBDGHJDM-UHFFFAOYSA-N	324.450	1.996	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1CCCOC1	872388387	HMSOUXPQAZGDTI-GUTXKFCHSA-N	309.410	1.158	50	20	DDGD	
COc1cc(F)cc(OC)c1C=NNC(=O)[C@H]1CCO[C@@H]1C	872383830	JBNUUWAONKLJTR-KOLCDFICSA-N	310.325	1.718	50	20	DDGD	
Cn1cnc(-c2cccc(NC(=O)NNC(=O)C3CC3)c2)n1	771786331	VKTAAJQGOFFLBH-UHFFFAOYSA-N	300.322	1.045	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)CC[C@@H](C)OC	873769654	WYDNALOSJGSOCA-SNVBAGLBSA-N	311.407	1.828	50	20	DDGD	
CC[C@@H](SC)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	772214182	KRDVMMSLFZZDKR-VHSXEESVSA-N	304.412	1.253	50	20	DDGD	
Nc1cnnc(NNC(=O)c2noc3c2CCCC3)c1Cl	1116298721	XNWPOCVACHFAGK-UHFFFAOYSA-N	308.729	1.336	50	20	DDGD	
CCc1nncn1CCNC(=O)NNc1c(C)cccc1F	771332680	VYJATZJWAQMGPO-UHFFFAOYSA-N	306.345	1.614	50	20	DDGD	
C#CCCCCCC(=O)NNC(=S)Nc1ccc(OC)nc1	779904829	NHCLGSSTBIEWFQ-UHFFFAOYSA-N	320.418	1.992	50	20	DDGD	
O=C(CN1CCC(c2ccsc2)CC1)NNC(=O)C1CC1	776887415	SWXSAOYTTNGGSH-UHFFFAOYSA-N	307.419	1.485	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(C(=O)NCC(C)C)cc1	878327930	VREALWSEJSZZOA-UHFFFAOYSA-N	322.409	1.687	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCN(C)[C@H](C)[C@@H]1C	771408465	WDASXGVDAIWSQP-NEPJUHHUSA-N	312.845	1.903	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2ccc(F)cn2)cc1	773622990	FQUQJWFYWPYSEA-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)/C=C\c2ccc(Cl)cc2)CC1	773656940	FURORHNPXUDCOE-DAXSKMNVSA-N	322.796	1.341	50	20	DDGD	
O=C(NNC(=O)c1ncoc1-c1ccc(F)cc1)NC1CC1	771273241	OXXZSMRIMTXHIK-UHFFFAOYSA-N	304.281	1.587	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cnc(C)nc1C(C)C	772135493	MOIRAXPVPIBCNE-VIFPVBQESA-N	322.365	1.011	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)c1ccc(Cl)cc1O	776119565	HOVSXNQTDWGGOY-UHFFFAOYSA-N	308.725	1.337	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1c[nH]c2cccc(OC)c12	887146516	AOHGLQBHXOYEAG-UHFFFAOYSA-N	313.357	1.670	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cnn(C)c2-c2ccccc2)n[nH]1	775552401	KILPHBGQEIIUEQ-UHFFFAOYSA-N	324.344	1.193	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(Br)ccc1F	770543701	QBROBKLJEKGSLU-UHFFFAOYSA-N	318.146	1.894	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@@H]1COc2ccccc2C1	881770309	KEWNKGPYFFKRGR-LLVKDONJSA-N	303.811	1.786	50	20	DDGD	
COc1cc(C=NNC(=O)Cc2cccnc2)ccc1[N+](=O)[O-]	770607019	PPGGSPKYGVYJTG-UHFFFAOYSA-N	314.301	1.691	50	20	DDGD	
Cc1ccc(F)cc1C(=O)C(=O)NNC(=O)NCc1ccco1	781954461	GFLQGSNAWMIVJO-UHFFFAOYSA-N	319.292	1.440	50	20	DDGD	
Cn1nc(Br)cc1C=NNC(=O)Cc1ccncc1	782243458	VYIVTJOGVLTOHX-UHFFFAOYSA-N	322.166	1.270	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)c2cn(C)cn2)c1	788254753	QOQODCAJKGMSPR-UHFFFAOYSA-N	302.338	1.271	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(C2CC2)cc1	784917806	XDKXQQHQTIZWLP-UHFFFAOYSA-N	304.350	1.195	50	20	DDGD	
CCn1cccc(CNC(=O)NNc2ccc(F)cc2)c1=O	789292071	AFAWUOUYBMYMMQ-UHFFFAOYSA-N	304.325	1.834	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C)[C@H](C)O	789940022	VPDWDVTZERMCEO-MJBXVCDLSA-N	322.405	1.625	50	20	DDGD	
CON(CC(=O)NNC(=O)c1cccc(C#N)c1)CC(C)(C)C	796479203	ZVYAPOJSMKBONN-UHFFFAOYSA-N	318.377	1.229	50	20	DDGD	
CCN(C)c1ccc(C=NNC(=O)Cc2nc(C)cs2)cn1	790152926	BPFNWOYWJUTSHN-UHFFFAOYSA-N	317.418	1.995	50	20	DDGD	
COc1cc(C(=O)NNc2cccnn2)cc([N+](=O)[O-])c1C	790883414	LXNNTZJINPHAIY-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
COC1(CC(=O)NNC(=O)c2ccc3c(c2)OCO3)CCC1	790111969	QVKQKHPAPRAKQF-UHFFFAOYSA-N	306.318	1.136	50	20	DDGD	
COC(=O)c1csc(C(C)=NNC(=O)N2CCN(C)CC2)c1	794939737	MRWQCEMHNAGAIW-UHFFFAOYSA-N	324.406	1.216	50	20	DDGD	
C#Cc1ccc(C=NNC(=O)CNC(=O)c2cccs2)cc1	792636001	OKKSILPYXPWGON-UHFFFAOYSA-N	311.366	1.610	50	20	DDGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(\C#N)S(=O)(=O)N(C)C	794957778	GYYMWXRNQCKBMZ-WUXMJOGZSA-N	308.359	1.758	50	20	DDGD	
CCOC(=O)C1CCC(=NNC(=O)c2ccc(O)c(O)c2)CC1	794557770	NXWYNSKHFIQILF-UHFFFAOYSA-N	320.345	1.937	50	20	DDGD	
C=C(CBr)CN1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21	791472219	GGEIQVUWWGLRBP-NWDGAFQWSA-N	322.268	1.979	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)N[C@H]1CCc2c(O)cccc21	790393312	FFIHAVLFFWLNTB-LBPRGKRZSA-N	324.344	1.749	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H](C)c1ccc(F)cc1F	1318704607	WJYZHTQFUHMPEO-VIFPVBQESA-N	315.320	1.435	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(C)c(O)c2)nc1	1319922675	TXPMCXYOGVJNKI-UHFFFAOYSA-N	301.302	1.639	50	20	DDGD	
CC(C)n1ccc(CNC(=O)NNc2nncc(N)c2Cl)n1	1319393509	LUKCYKDKSLVXJO-UHFFFAOYSA-N	324.776	1.316	50	20	DDGD	
NC(=O)CC1CCN(C[C@@H](CBr)C2CC2)CC1	701847525	DTGLABDPLWCEFK-GFCCVEGCSA-N	303.244	1.995	50	20	DDGD	
CC(C)N(CC(=O)NNc1ccn(C)n1)C(=O)OC(C)(C)C	1328569923	HYMLVINNZRPNIG-UHFFFAOYSA-N	311.386	1.509	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1ccn(-c2ccncc2)n1	1320814065	KPKQHFKAYNRQNW-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
CCCN(CC)c1ccc(C(=O)NNc2ccn(C)n2)cn1	1327550751	JNJNBLAINLQHKU-UHFFFAOYSA-N	302.382	1.808	50	20	DDGD	
C[C@@]1(CNC(=O)COCc2ccncc2)C[C@@H]1Br	1334835429	VNWXIIKHAFBRKV-AAEUAGOBSA-N	313.195	1.888	50	20	DDGD	
CSc1ccc(C(=O)NNc2ccn(C)n2)cc1[N+](=O)[O-]	1326697105	ICZRCOMRSYYOHY-UHFFFAOYSA-N	307.335	1.807	50	20	DDGD	
Nc1cnnc(NNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1Cl	1253123156	CGQIGMBBGZAWDS-UHFFFAOYSA-N	322.712	1.306	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)N[C@H]2CCC[C@H]2CCO)nn1	1338502128	UJTGSZJXOKOBKS-RYUDHWBXSA-N	321.425	1.951	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC2(C(F)(F)F)CC2)cc1O	1333338916	JUTXEASMGSZQCF-UHFFFAOYSA-N	317.267	1.740	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1cccc(C)c1C	1340344534	FZUBQXBANJMEDB-UHFFFAOYSA-N	301.346	1.193	50	20	DDGD	
O=C(C[C@@H]1CC[C@@H]2C[C@@H]12)NNC(=O)c1n[nH]c2c1CCCC2	1261254546	RLFWJKCZUCNJSZ-JFGNBEQYSA-N	302.378	1.486	50	20	DDGD	
C[C@@H]1[C@@H](C(=O)NNC(=O)c2cc(Br)c[nH]2)C1(F)F	1263702618	UDYUQMLPXCOAEX-FBCQKBJTSA-N	322.109	1.439	50	20	DDGD	
COCc1nn(C)cc1C(=O)OC[C@]1(C)C[C@@H]1Br	1345220697	TVIQPLXKHGDRQS-JQWIXIFHSA-N	317.183	1.897	50	20	DDGD	
C=C(C)CCC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	1353631149	QQQOFQRRQRAAAZ-UHFFFAOYSA-N	313.398	1.795	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H]1CCCCN1Cc1cccc(F)c1	1528502429	RXZWBEGZTBWUSG-INIZCTEOSA-N	323.412	1.526	50	20	DDGD	
Cc1ccc2n[nH]cc2c1C(=O)NNc1ccc(C(=O)O)cn1	1607828308	LJJIVQPEHYOHOY-UHFFFAOYSA-N	311.301	1.721	50	20	DDGD	
Cc1ncc(C(=O)NNc2ccc(F)c(C(=O)O)c2)c(C)n1	1607975700	JQXULCPEMCARIA-UHFFFAOYSA-N	304.281	1.688	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)[C@@H]2CCO[C@H]2C2CC2)cc1	1608781154	QQBKDINMTANIBJ-HIFRSBDPSA-N	304.346	1.572	50	20	DDGD	
O=C(NNc1c(F)c(F)nc(F)c1F)c1c[nH]c(C(=O)O)c1	1601554162	NAQDKTYODOERMR-UHFFFAOYSA-N	318.186	1.421	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccccc1CC(=O)O	1609758460	PCPSKCUOMUWTEU-UHFFFAOYSA-N	309.322	1.875	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C2(C(=O)O)CCC2)ccc1F	1604376485	WLJHUVYTFQSOCJ-UHFFFAOYSA-N	310.281	1.310	50	20	DDGD	
O=C(NNc1ncncc1Cl)Nc1cncc(C(=O)O)c1	1601563520	NHPMERQZRFDTSG-UHFFFAOYSA-N	308.685	1.372	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(C(=O)O)cn2)cc(Cl)n1	1607579989	MNVYNJPJYMWKNW-UHFFFAOYSA-N	306.709	1.894	50	20	DDGD	
C[C@@]1(C(=O)NCc2ccc(CCN)cc2)C[C@H]1Br	1576350477	PGEPLNQHZCCQQY-TZMCWYRMSA-N	311.223	1.978	50	20	DDGD	
COCC[C@H](N)C(=O)NNc1ncnc(Cl)c1C(C)C	1578998113	RDGQLQKISBMQQT-QMMMGPOBSA-N	301.778	1.060	50	20	DDGD	
CCOc1ccccc1[C@@H](N)CC(=O)NNC(=O)CC(C)C	1578200088	HCCRUYQWMODQHI-ZDUSSCGKSA-N	307.394	1.669	50	20	DDGD	
CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccnc(C)n1	1588776188	CRUHXXDXBYNZSG-UHFFFAOYSA-N	322.332	1.119	50	20	DDGD	
CCC(=O)C(=O)N1CC2(CCCN2C(=O)[C@@H](Cl)CC)C1	1845167185	MVUZHEGQUQDGAM-JTQLQIEISA-N	300.786	1.186	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NNc1cccc(C(=O)O)c1F	1594126980	UROAMRUCVJPQDA-IUCAKERBSA-N	308.309	1.972	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1Cc2ccc(-c3nn[nH]n3)cc2C1	1590796809	CZOICJONOGEZTI-LCYFTJDESA-N	310.317	1.153	50	20	DDGD	
COC(=O)CCC[C@H]1CCCC(=NNC(=O)NCC(=O)O)C1	1598850789	HPTRJCXMEGHODM-SNVBAGLBSA-N	313.354	1.260	50	20	DDGD	
Cc1cnn(C)c1NC(=O)NNc1ccc(-c2nn[nH]n2)cc1	1592303273	ZLIGJFLPQYSWTJ-UHFFFAOYSA-N	313.325	1.057	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@]1(C)CCCOC1	1599376630	XVUNCZIGEYGIKQ-OAHLLOKOSA-N	308.334	1.653	50	20	DDGD	
CCCCNC(=O)NN=C(C)c1ccc(-c2nn[nH]n2)cc1	1590604261	DLYDQYZAVHQJHO-UHFFFAOYSA-N	301.354	1.690	50	20	DDGD	
COc1cccc(NCC(=O)NN=C2CCC[C@H](C(=O)O)C2)c1	1599679840	LGFVTCNOSJTEQS-NSHDSACASA-N	319.361	1.854	50	20	DDGD	
CCc1ncc(CNC(=O)NNc2ccc(C(=O)O)cc2F)o1	1597697093	GZQIFOPWJNVSAS-UHFFFAOYSA-N	322.296	1.901	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2ccc(C(=O)O)cc2)c[nH]1	1776100052	NUWGMVDFPDRUMN-UHFFFAOYSA-N	315.285	1.263	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1c(F)cc(C(=O)O)cc1F	1776117800	ITRQVDAURVIGAO-WTKPLQERSA-N	310.256	1.333	50	20	DDGD	
CCC(=NNC(=O)c1ccc(C(=O)O)cc1)c1cnn(C)c1	1776099675	UDJISBDQLGYVTP-UHFFFAOYSA-N	300.318	1.662	50	20	DDGD	
CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](F)Cl)CC1	1796803669	DCCBOVFUBQHOHO-VLEAKVRGSA-N	302.777	1.959	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)c1ccc(Cn2cccn2)cc1	14221290	UWBOXQVLCDMOFO-UHFFFAOYSA-N	321.340	1.401	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CCCc1nc(C2CC2)no1	158451662	RSSUYTMYSVZKMY-UHFFFAOYSA-N	310.354	1.826	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CCc2cccnc2)n1	155747897	FEMSOOCHCJKDKP-UHFFFAOYSA-N	314.393	1.794	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNC(=O)CCc1ccccc1	154165768	HMLHWWUEGVFGIW-UHFFFAOYSA-N	300.362	1.431	50	20	DDGD	
COC(=O)N[C@@H](CC(C)C)C(=O)NNc1ccncc1Cl	154531056	FBIIPHLYHVXNDM-NSHDSACASA-N	314.773	1.949	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)OC(C)(C)C)ccc1F	154820526	NTJPKODXGYGKJI-UHFFFAOYSA-N	304.343	1.852	50	20	DDGD	
O=S(=O)(NC[C@@H]1CC[C@H](O)C1)c1ccc(CCCl)cc1	236566143	XLBRCTZVRIZLCC-OLZOCXBDSA-N	317.838	1.907	50	20	DDGD	
CS(=O)(=O)C[C@@H]1CCN(C[C@@H](CBr)C2CC2)C1	859313126	IMIWHZNECIBAIC-ZYHUDNBSSA-N	324.284	1.774	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCc1cc(F)ccc1F	104796656	UXRLEFRGEWGNQS-UHFFFAOYSA-N	320.299	1.433	50	20	DDGD	
Cc1cccc([C@H]2CCCN2CC(=O)NNC(=O)C2CC2)c1	112977490	IEQPTRFMTXUTRG-OAHLLOKOSA-N	301.390	1.689	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1n[nH]c2c1CCC2	102787339	NZBUAMIPYHUAEX-UHFFFAOYSA-N	311.305	1.100	50	20	DDGD	
C[C@H]1CN(CCCNC(=O)NNc2ccccc2)C[C@H](C)O1	114920417	ZJUOIKOIRHOIIF-KBPBESRZSA-N	306.410	1.812	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNC(=O)CCc1ccccc1O	106286425	IBJCGRYDFVFPFY-AWEZNQCLSA-N	319.405	1.347	50	20	DDGD	
CC(=O)N[C@@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	28638069	OXWYSTJKGZNHAX-LURJTMIESA-N	318.160	1.279	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccccc2O)c1	69665128	IFKWCUYTJXUSFZ-GFCCVEGCSA-N	314.341	1.929	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCCc1ccccn1	65145616	BFDWEKFOJQECPW-UHFFFAOYSA-N	312.373	1.587	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc2ccccc2c1	124761139	TUGCJXJARPMMBJ-LLVKDONJSA-N	313.357	1.972	50	20	DDGD	
O=C(NNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1cccc(Cl)c1	23915209	VOZVCCDIKOWJDJ-UHFFFAOYSA-N	308.681	1.651	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@H](C)N2CCC(C)CC2)n1	181433201	AAFVQFLJXYXWLT-ZDUSSCGKSA-N	321.425	1.837	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)[C@@H]1C[C@@]12CCc1ccccc12	173970568	YOCZTQXTHKFXFY-YVEFUNNKSA-N	320.356	1.700	50	20	DDGD	
Cn1nccc1C(=O)NNC(=O)c1cc2c(s1)CCCCC2	63536601	CUUCXJFOCYXDML-UHFFFAOYSA-N	318.402	1.825	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCC[C@@H](N(C)C)C2)s1	176617694	YCHSOQFVEYJAEP-VXGBXAGGSA-N	324.450	1.873	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNc2nccnc2Cl)ccc1F	172287827	HRSUXJBDEALQCW-UHFFFAOYSA-N	323.715	1.984	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cc(F)c(O)c(F)c1	186847789	BSKUMTBIXHPPPT-UHFFFAOYSA-N	307.256	1.069	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1ccccc1OCCOC	176674707	SQOIBESFAPIKFW-SDNWHVSQSA-N	304.346	1.381	50	20	DDGD	
O=C(NC[C@H](c1ccco1)N1CCCC1)NNc1cccnn1	172483032	JWOSUQBFTDYZTF-GFCCVEGCSA-N	316.365	1.533	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C2[C@H]3CCC[C@@H]23)c(C)c1	178096694	DMGQXLFKTYPZSA-OCZCAGDBSA-N	301.390	1.909	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)[nH]n1	173415751	NYDZDJYGUOISBS-UHFFFAOYSA-N	302.338	1.251	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C2=CCCCO2)c(C)c1	178448731	LBQIOXJOCCDOLV-UHFFFAOYSA-N	303.362	1.557	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NNc2ncc(F)cn2)C1	123260074	DHPMRBBHHQLHBX-WDEREUQCSA-N	323.372	1.344	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNc1ccc(C(F)(F)F)nn1	124432864	JOGFUAHJPMTBNW-UHFFFAOYSA-N	315.255	1.786	50	20	DDGD	
CC(C)OCCCC(=O)NNC(=O)Cn1ccc2ccccc21	182618736	ZEQVZKCZDJDYPN-UHFFFAOYSA-N	317.389	1.994	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1ccc([N+](=O)[O-])s1	78269320	HRSVVJKUHUBCJI-UHFFFAOYSA-N	320.330	1.529	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2cc(Cl)c[nH]2)c1	78407419	RQIRFTAGMUDHSM-UHFFFAOYSA-N	322.752	1.550	50	20	DDGD	
CCNC(=O)NNC(=O)c1cccc(Oc2nccs2)c1	76585483	OIWPIIQHJWPYFS-UHFFFAOYSA-N	306.347	1.899	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)NCCC2CC2)nc2ccccc21	74818551	BKFRIZKKCRIPSZ-UHFFFAOYSA-N	315.377	1.246	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCC(=O)OCC1CC1	74252163	HURAZVYUYLLKHL-UHFFFAOYSA-N	313.785	1.422	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1ccc(CC(C)C)cc1	32081655	OZYPSYLVAVSTOT-UHFFFAOYSA-N	300.380	1.825	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1c[nH]nc1-c1ccsc1	187274944	CHGKTSPEWZMDOL-UHFFFAOYSA-N	315.358	1.552	50	20	DDGD	
CCn1c(SCC(=O)NN(C)C(N)=O)nc2ccccc21	181089990	IJBNFVZMRSAHSQ-UHFFFAOYSA-N	307.379	1.190	50	20	DDGD	
CCCCn1cc(C(=O)NNC(=S)N[C@@H](C)C2CC2)c(C)n1	184955948	RBMHBPIYRSYKAE-JTQLQIEISA-N	323.466	1.899	50	20	DDGD	
CC(C)CCn1ccc(NC(=O)NNC(=O)c2cnn(C)c2)n1	183221640	APKURPUZNXBZLX-UHFFFAOYSA-N	319.369	1.129	50	20	DDGD	
C[C@@H](NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)c1ccccc1	42846607	SZKFLIADZJSNJB-RISCZKNCSA-N	311.407	1.129	50	20	DDGD	
Cc1cccc(C)c1NCC(=O)NNC(=O)Cc1ccncc1	82977610	LFUQLIRBUJETFS-UHFFFAOYSA-N	312.373	1.500	50	20	DDGD	
CC(C)N1CCC(NC(=O)NNC(=O)c2ccccc2)CC1	43179395	DCQVSNOFVVJXBD-UHFFFAOYSA-N	304.394	1.503	50	20	DDGD	
CSC[C@H]1CCCN1CC(=O)NNC(=O)c1ccc(C)cc1	135470440	YNAGOQWGUTVJNQ-CQSZACIVSA-N	321.446	1.583	50	20	DDGD	
CNC(=O)c1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1	192973210	GNDAIBUOOCYJMZ-AAWPKVBNSA-N	313.357	1.248	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccccc2)ccc1[N+](=O)[O-]	132832115	CDBNKERCOATRGJ-UHFFFAOYSA-N	315.285	1.678	50	20	DDGD	
CCCC[C@H](COC)NC(=O)NNC(=O)Cc1ccncc1	83231027	DTDMCKQMWZCOBK-CYBMUJFWSA-N	308.382	1.160	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(N)=C(C#N)C#N)c(OC)c1OC	255633042	JOKOVEQBHATKTL-WDZFZDKYSA-N	310.313	1.879	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cnc(C)cc2O)n1	268567923	GIGMJWCOJNNYLJ-UHFFFAOYSA-N	316.365	1.489	50	20	DDGD	
CCN1C[C@H](C(=O)NNc2cccc([N+](=O)[O-])c2C)CC1=O	269582007	BOYIBNVAUHIFTB-SNVBAGLBSA-N	306.322	1.215	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C1CCSCC1	264918360	QTFUFNWEOWPTIV-UHFFFAOYSA-N	324.402	1.365	50	20	DDGD	
O=C(NC[C@H]1CCOC1)NNC(=O)c1cccc2ccccc12	266574633	QJUBOJGFWFUSPO-GFCCVEGCSA-N	313.357	1.820	50	20	DDGD	
CCCCCCCCOCC(=O)NNc1nccn(C)c1=O	267213780	MKEBGUKEDFTZQP-UHFFFAOYSA-N	310.398	1.601	50	20	DDGD	
N#C/C=C(/c1ccc(F)cc1)N1CC[C@@H]2OCC(=O)N[C@H]2C1	366793741	VAHRUTDCJUQDLJ-HTFCSITJSA-N	301.321	1.279	50	20	DDGD	
COCCOCc1cc(C(=O)NNc2cccnn2)ccc1F	266446081	IHXKBMXABFRMKM-UHFFFAOYSA-N	320.324	1.536	50	20	DDGD	
CC(C)c1cc(NC(=O)NNC(=O)Cc2ccncc2)no1	273460304	HXLCLIKOFKBOSM-UHFFFAOYSA-N	303.322	1.588	50	20	DDGD	
COC(=O)NNC(=O)[C@H]1CCN(c2ccc(C(C)C)cc2)C1=O	274169915	AYQOVYLSXGVRSC-CYBMUJFWSA-N	319.361	1.550	50	20	DDGD	
CC[C@H]1C[C@@H](CC(=O)NNc2cc(Cl)nc(N)n2)CCO1	273567135	XGZGGRLSBVRGHD-IUCAKERBSA-N	313.789	1.751	50	20	DDGD	
CS(=O)(=O)CCC(=O)NNc1ccc(C#N)c(Cl)c1	273521161	QLYQNDOCGHKXPN-UHFFFAOYSA-N	301.755	1.089	50	20	DDGD	
CC(C)(C(=O)NNc1ccc2ccccc2n1)S(C)(=O)=O	272004851	XNNUOEZJTGHMLP-UHFFFAOYSA-N	307.375	1.501	50	20	DDGD	
COCCOc1ccc(CC(=O)N2CC=C(C#N)CC2)cc1	277426938	VJQMZEUOIJFJDF-UHFFFAOYSA-N	300.358	1.937	50	20	DDGD	
CC(C)c1ccc2occ(C(=O)NNC(=O)CN(C)C)c2c1	287902221	ZCWSHKLOIBGQLO-UHFFFAOYSA-N	303.362	1.879	50	20	DDGD	
O=C(NCC1=CCCOC1)NNC(=O)c1cccc(Cl)c1	288133379	ZCEQWHMHFVWUQP-UHFFFAOYSA-N	309.753	1.631	50	20	DDGD	
C=CC[C@H](CC)NC(=O)NNc1ccc(-n2cccn2)nn1	281297348	IXWREOSEODCVHL-NSHDSACASA-N	301.354	1.643	50	20	DDGD	
CSSCCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O	804699493	PYCHULMMIWCJEK-UHFFFAOYSA-N	323.421	1.665	50	20	DDGD	
Cc1ncc2n1CC[C@H](C(=O)NNc1cc(Cl)ccn1)C2	290558535	WXEVEGQVYUYYNH-JTQLQIEISA-N	305.769	1.946	50	20	DDGD	
CCOc1ccc(CNC(=O)NNc2ccncn2)cc1OC	296582106	MSMGDLSXAASGRM-UHFFFAOYSA-N	317.349	1.710	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Nc1ccc2c(c1)OCO2)C(F)(F)F	802105395	WVQDNNFRJXONLK-ZCFIWIBFSA-N	319.239	1.766	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1cnc2[nH]cnc2c1	803436019	FMMZSVVPPHOTPT-UHFFFAOYSA-N	320.312	1.556	50	20	DDGD	
O=C(C[C@@H]1CCCC(=O)N1)NNC(=O)Nc1ccc(Cl)cc1	291575296	FKZSLGJIZZWBSX-NSHDSACASA-N	324.768	1.552	50	20	DDGD	
Cc1cc(NC(=O)NNc2nccnc2C2CCC2)n(C)n1	806140454	KHPVKJMRQMTGFD-UHFFFAOYSA-N	301.354	1.935	50	20	DDGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1c[nH]nc1[N+](=O)[O-]	801629874	HWUOFEJLGFQQLR-UHFFFAOYSA-N	322.228	1.550	50	20	DDGD	
COCCOc1ccc(NC(=O)NNC(=O)CC(C)C)cn1	299187838	AWKURNMGRLWMQP-UHFFFAOYSA-N	310.354	1.306	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NNC(=O)N=c1cc[nH]cc1	802035997	PAJLZMRUVWKAKU-VXGBXAGGSA-N	316.386	1.830	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cnc(C(C)(C)C)nc2)n1	806986641	UUCKNAPAPSVCLV-UHFFFAOYSA-N	316.365	1.638	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)Cn2cccn2)c(Cl)c1	802050125	ZZBYEAHEVGXKJR-UHFFFAOYSA-N	307.741	1.698	50	20	DDGD	
C[C@H](Oc1ccc(C=O)cc1)C(=O)NNc1cccc(F)n1	804769540	ILDPTYXIIXZGNZ-JTQLQIEISA-N	303.293	1.944	50	20	DDGD	
COCc1ncc(C(=O)NN(C)C(=O)OC(C)(C)C)s1	297122576	GMHIJHWMVCYNQG-UHFFFAOYSA-N	301.368	1.801	50	20	DDGD	
CC(C)[C@H](C)N(C)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	297988641	WVGUKTVLUNNJQL-NSHDSACASA-N	322.365	1.332	50	20	DDGD	
C[C@@H]1CCC[C@](CNC(=O)NNc2ccncn2)(N(C)C)C1	296410229	LBPRFOIHUQSFBM-DOMZBBRYSA-N	306.414	1.613	50	20	DDGD	
CC[C@H](C)Oc1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1	292267017	ZFNIXHASYMXCJH-FZMZJTMJSA-N	306.362	1.804	50	20	DDGD	
Cc1ncc2n1C[C@@H](C(=O)NNc1ccccc1[N+](=O)[O-])CC2	816917810	CGRUAWUOCCDKKZ-NSHDSACASA-N	315.333	1.805	50	20	DDGD	
O=C(COc1ccc(F)cc1)NN=C1CCC(C(=O)O)CC1	814747905	GCWWUMDRTIXPNK-UHFFFAOYSA-N	308.309	1.952	50	20	DDGD	
COCCOc1ncccc1C(=O)N(C)CC(Cl)Cl	816628844	MGYAXMJFJJWSQX-UHFFFAOYSA-N	307.177	1.983	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)Cn1ncn(C)c1=O	812769756	BEWHIQGDVMGVDN-UHFFFAOYSA-N	303.366	1.157	50	20	DDGD	
COC(=O)Cc1occ(C)c1C(=O)NNc1ncncc1Cl	811326220	MOXCEJOTFRZJEA-UHFFFAOYSA-N	324.724	1.504	50	20	DDGD	
Cc1cc(NNC(=O)c2c[nH]nc2-c2ccccn2)nc(C)n1	810422709	YDMXFMZWJODKGI-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
C[C@H]1C(=NNC(=O)c2ccnnc2)CC[C@@H](C(=O)O)C1(C)C	817341664	WFCRQOQGTKOYLC-ONGXEEELSA-N	304.350	1.719	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(C)c1	825696827	CYKLAZCWVOEHNH-OCCSQVGLSA-N	305.378	1.559	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1cccc(N(C)C)c1	826035807	JFBDQUONRFUWGD-SMDDNHRTSA-N	320.393	1.008	50	20	DDGD	
CN(C[C@@H](O)C(F)(F)F)C(=O)/C(C#N)=C/c1ccc(O)cc1	491173156	BFIYLDXWHSUNJU-GCZGVDRJSA-N	314.263	1.681	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CCc2cncs2)cc1	824037309	IXFNGVUWFWEHCX-UHFFFAOYSA-N	318.402	1.644	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=S)NC(C)(C)C)cc1	726140085	RSRYFMVRJJNIHX-UHFFFAOYSA-N	308.407	1.227	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccccc1	823007370	WZASXDUBJDCIAC-GXTWGEPZSA-N	314.389	1.987	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNc2ccnc(Br)c2)CCN1C	828731414	VSTOHIWHPAORMY-PSASIEDQSA-N	313.199	1.627	50	20	DDGD	
C[C@H](CNS(=O)(=O)CCl)N1CCc2ccccc2C1	820788174	ZOKYZIXXEPMMMB-LLVKDONJSA-N	302.827	1.549	50	20	DDGD	
CCCNC(=O)Nc1ccc(CC(=O)NN(C)[C@H](C)CO)cc1	823964634	CCCGNRRIYMPMQK-GFCCVEGCSA-N	322.409	1.104	50	20	DDGD	
COC(=O)NN=Cc1cc(C)n(CCN2CCOCC2)c1C	490542272	QDRVLZOPDIRHEJ-UHFFFAOYSA-N	308.382	1.127	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cc2cnccc2[nH]1	827493089	KQJNHLNYHVTYLD-UHFFFAOYSA-N	308.210	1.995	50	20	DDGD	
Cc1cc(NNC(=O)C(C)(C)c2cccc(F)c2)nc(N)n1	828367182	JGDUGYPSXKXQIA-UHFFFAOYSA-N	303.341	1.927	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(S(C)(=O)=O)cc2)n(C)n1	821152403	BKSZOOULDSANSG-UHFFFAOYSA-N	322.390	1.143	50	20	DDGD	
C#C[C@@H](CC)NC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	491729613	IOQLAXOHXWEMGR-NSHDSACASA-N	303.366	1.500	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2	825807382	DCVYUEZJMDAIHU-YHQUGGNUSA-N	309.410	1.568	50	20	DDGD	
CN(NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccccc1	823866311	HCPGOUSDBZKZCH-OKILXGFUSA-N	313.357	1.105	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CC(C)(C)OCC2(C)C)cn1	825964201	KIYYBVWIIWJPPX-MLPAPPSSSA-N	302.378	1.743	50	20	DDGD	
CC(C)CC[C@@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1	584962075	HQTJCGRRBWSJKB-INIZCTEOSA-N	303.211	1.797	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCSC(C)(C)C	825876516	HSRALFJZYMXYRE-UWVGGRQHSA-N	303.428	1.274	50	20	DDGD	
C[C@H]1[C@@H](C(=O)NNc2cccnn2)CCN1C(=O)OC(C)(C)C	492190577	VTNBFVLFABFUDN-QWRGUYRKSA-N	321.381	1.565	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1cccc2[nH]ncc12	732065489	KDOMNUKTBZZGBW-UHFFFAOYSA-N	321.300	1.765	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)Cc1cccc(OC(F)(F)F)c1	823946520	LBESURLYBWKAJU-SECBINFHSA-N	306.284	1.472	50	20	DDGD	
CC1(C)C[C@H]1CNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	732825972	DTMQTMFIOJZBGV-GWCFXTLKSA-N	319.361	1.203	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)Nc1nc2n(n1)CCCC2	823735611	BMIKVIANOUNPTK-UHFFFAOYSA-N	307.745	1.811	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1ccc(F)cc1	825930192	QMVMCOTVHBKYIH-SUNKGSAMSA-N	323.368	1.685	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@@H]1CC[C@@H]2CCCCN21	900637441	DUYMOXUTNHZULP-ZFWWWQNUSA-N	319.380	1.533	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNc1ccc(Br)nc1	732838180	LGEZTCFICJSDAY-ZETCQYMHSA-N	315.171	1.202	50	20	DDGD	
C[C@H]1CC[C@@](C)(C(=O)NNC(=O)C(=O)N2CCCC2)C1(C)C	837379017	OHACJQNVNHDCBB-ZBEGNZNMSA-N	309.410	1.219	50	20	DDGD	
Cc1ccc(F)cc1C(=O)C(=O)NNC(=O)[C@H]1CCCCO1	833243368	RANWYSYEKIQMBT-GFCCVEGCSA-N	308.309	1.033	50	20	DDGD	
COc1ccnc(NNC(=O)[C@]2(C)C[C@H]2Br)n1	906067232	LFAHXPAMMZWWSQ-LHLIQPBNSA-N	301.144	1.102	50	20	DDGD	
Cc1c(C(=O)NNc2cccnn2)cnn1-c1ccc(F)cc1	736697266	CAVOIGMOFKCBAQ-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NC[C@@H]2CCCNC2=O)c(C)c1	838776394	AVQHTLHTFYOEAU-ZDUSSCGKSA-N	304.394	1.764	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CC[C@H](C(F)(F)F)CC2)cc1	585049882	YWKMEZZUKKKYPI-AULYBMBSSA-N	301.117	1.577	50	20	DDGD	
Nc1cc(C(=O)NN=C2CCOC3(CCC3)C2)cc([N+](=O)[O-])c1	834929875	YCCZUMGKCOKWAQ-UHFFFAOYSA-N	318.333	1.996	50	20	DDGD	
C[C@H]1CC(=NNC(=O)C(=O)NC2CC2)c2c(O)ccc(F)c21	730552021	JUGRPHVQKTVMFN-ZETCQYMHSA-N	305.309	1.137	50	20	DDGD	
CC(C)c1scnc1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	831817894	BTSBJZNVZTYGLY-IUCAKERBSA-N	312.395	1.844	50	20	DDGD	
C[C@@H](N(C)CC(=O)NNC(=O)c1ccc(C#N)cc1)C1(C)CC1	839501788	GYAYLBGPJBSAHN-GFCCVEGCSA-N	314.389	1.440	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1ccc(C(=O)O)cc1C	905438535	BOZGEBAOSDPHSX-UHFFFAOYSA-N	305.334	1.459	50	20	DDGD	
CC(C)CCn1ncc(NCc2ccc(B(O)O)o2)c1C(C)C	585037992	PECGCSWPSWMBHZ-UHFFFAOYSA-N	319.214	1.938	50	20	DDGD	
O=C(NNc1ncccc1Cl)C1(C(=O)NC2CC2)CCC1	734245713	GOLURZNFINADJG-UHFFFAOYSA-N	308.769	1.627	50	20	DDGD	
C[C@@H]1CC[C@@H](CNC(=O)NNC(=O)Cc2ccc(F)cc2)O1	838742177	OUTLQQLGOAXQPN-MFKMUULPSA-N	309.341	1.266	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NN=C1CCNC(=O)CC1	834928498	ODOHYWLBSXCOLG-SNVBAGLBSA-N	307.325	1.365	50	20	DDGD	
C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccc(B(O)O)cc1	584954812	LMJOZGCQMOMVHE-WMLDXEAASA-N	323.201	1.460	50	20	DDGD	
CO[C@@H]1CCCCC1=NNC(=O)c1cccc(-c2nn[nH]n2)c1	736964082	YZZKOMGZIBKZLH-CYBMUJFWSA-N	314.349	1.542	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2CCc3ccccc3O2)n1	839695268	DEZJYRZKIZHPJK-CYBMUJFWSA-N	314.345	1.631	50	20	DDGD	
CNC(=O)NNC(=S)NCc1ccc(OC(F)(F)F)cc1	742988866	SGXLWZXFWKOKOW-UHFFFAOYSA-N	322.312	1.393	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cn(-c2ccccc2Cl)nn1	746818263	SHYMJXQJZBXFNA-UHFFFAOYSA-N	307.741	1.338	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@H](O)c1ccc(Cl)c(Cl)c1	910150241	QNGXPQZKSRSBMF-RDDDGLTNSA-N	307.177	1.371	50	20	DDGD	
CCSc1ccc(CC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	843658170	DUIALNWNXGVZAB-FZMZJTMJSA-N	322.430	1.914	50	20	DDGD	
CCCN(CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)C(C)C	847032557	MKEJGFKAMUKRJZ-UHFFFAOYSA-N	322.365	1.476	50	20	DDGD	
NNC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1	841736154	DEXSFBQYKCPRFM-VIFPVBQESA-N	313.199	1.448	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNc1ncc(Br)cn1	848322238	UXEASAHMCYQDBV-JTQLQIEISA-N	303.160	1.497	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2ncnc(Cl)c2C(C)C)c1O	840547347	MEAMHVHVFJSZKG-UHFFFAOYSA-N	310.745	1.747	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2ccc(OCC(F)(F)F)cc2)N1	748693522	AECFCWHWFCKQKP-SNVBAGLBSA-N	317.267	1.349	50	20	DDGD	
CCn1cncc1C=NNC(=O)[C@H](C)CN1CCC(C)CC1	841615120	WHTJQXSYAOOXHM-CQSZACIVSA-N	305.426	1.721	50	20	DDGD	
CCCC(=O)N1CCC[C@H](C(=O)NNC(=O)CC(F)(F)F)C1	918366708	DNNCAMAJXZRCKW-VIFPVBQESA-N	323.315	1.125	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C	910168742	VIRWSOBQKHWCTL-RYUDHWBXSA-N	315.414	1.120	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)C(C)(C)O)ccc1OC(C)C	848975728	PIQIQDXNJFWMLG-UHFFFAOYSA-N	322.361	1.208	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)[C@@H](C)c1ccccc1	746373156	ZAVJZIQPQRPJLO-SNVBAGLBSA-N	314.345	1.726	50	20	DDGD	
Cc1nnnn1-c1ccc(C(=O)N(C)CC(Cl)Cl)cc1	848084911	HZUMJQYKGLFSLF-UHFFFAOYSA-N	314.176	1.846	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)N[C@@H]1CCN(C2CC2)C1	746766333	OSGCPZPQGZLPGL-MRVPVSSYSA-N	314.311	1.967	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)c1cc([N+](=O)[O-])ccc1O	741773837	OEHVWPYWNHASIK-UHFFFAOYSA-N	317.305	1.415	50	20	DDGD	
Cc1c(Br)ccc(C(=O)NN(C)C[C@@H](C)O)c1F	910149125	AGQNFEHHAJOLSN-SSDOTTSWSA-N	319.174	1.854	50	20	DDGD	
CSc1ncc(Cl)c(C(=O)NNC(=O)NC(C)C)n1	745139954	ZZUAEUFYWCPZHQ-UHFFFAOYSA-N	303.775	1.204	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)NNc1nc2ccccc2n1C	848379398	GZKJCZXUDVXIJX-UHFFFAOYSA-N	324.406	1.087	50	20	DDGD	
COCCNCCNC(=O)NNc1c(C)cccc1C(C)C	841967989	KAENVQBNHDFYND-UHFFFAOYSA-N	308.426	1.981	50	20	DDGD	
O=C(NC[C@H]1COCCO1)NNc1ccc(Cl)cc1F	914284057	CPGXDESONTWQLT-VIFPVBQESA-N	303.721	1.521	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1nc(F)ccc1Br	847284199	BNLYNZPZXJUESA-UHFFFAOYSA-N	302.103	1.154	50	20	DDGD	
CO[C@H](C=NNC(=O)COc1ccccc1F)[C@H]1CCOC1	841606546	IGANNHDEEHXTHZ-SMDDNHRTSA-N	310.325	1.358	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)COc1ccccc1O)C(F)(F)F	742653654	OQVHNZDBNWKUQD-ZETCQYMHSA-N	306.240	1.117	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CCCC[C@H]2CN)c1	841954373	WQDFUCISWHYGQH-GXTWGEPZSA-N	320.393	1.617	50	20	DDGD	
Cc1cccnc1NNC(=O)NCc1nnc(C2CC2)s1	841589299	IGEHXKYHSITIEP-UHFFFAOYSA-N	304.379	1.945	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O	742053147	FDWDDYXBTOCHNS-LLVKDONJSA-N	324.768	1.043	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	749867861	NKRCRMOEJNOKNQ-LLVKDONJSA-N	317.320	1.758	50	20	DDGD	
C=Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCCCO2)cc1	840913087	AIRNRFMZDXBQON-ZDUSSCGKSA-N	310.375	1.208	50	20	DDGD	
CCN(CC)C[C@H](C)NC(=O)NNC(=O)Cc1ccc(F)cc1	921119505	CAAYCRZYWTVLQX-LBPRGKRZSA-N	324.400	1.429	50	20	DDGD	
C[C@@H]1CN(C2CC2)CC1=NNC(=O)CNc1ccccc1F	755879413	KBJZNPRKICAUFA-LLVKDONJSA-N	304.369	1.824	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NCC(C)(C)CC(C)C	753040705	KBMHIFVCROEIDA-GFCCVEGCSA-N	317.430	1.441	50	20	DDGD	
CC(C)CCO[C@@H](C)C(=O)NNC(=S)NCC1CCC1	855091867	HIWCPTXUWOGHIH-NSHDSACASA-N	301.456	1.733	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@@H]1c1ccc(F)cc1	852393559	HFJFZLUFTOIPTI-LEWSCRJBSA-N	321.352	1.738	50	20	DDGD	
CC1(C)Oc2ccc(NC(=O)NNC(=O)c3ccc[nH]3)cc2O1	756221178	ANPYWLCQDJKIDU-UHFFFAOYSA-N	316.317	1.989	50	20	DDGD	
COC(=O)Cc1c(C(=O)NN(C)C2CC2)[nH]c2ccccc12	854985420	RBMQCQQGGOXOPJ-UHFFFAOYSA-N	301.346	1.622	50	20	DDGD	
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)C1CCCC1	852279213	OQHJKKBSMPRGNT-UHFFFAOYSA-N	322.453	1.629	50	20	DDGD	
COC(=O)CCCNC(=S)NC[C@]1(C)C[C@H]1Br	857204185	LTIPMSNZKSFOJZ-KCJUWKMLSA-N	323.256	1.577	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)/C=C/[C@H]2CCOC2)c1C	855624963	XOBLRJGKXHQADH-SYTKJHMZSA-N	304.346	1.817	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)/C=C\c1cccc(O)c1)C1CC1	855100136	VFSNSISQPJRSBF-DAGBOUIGSA-N	305.403	1.699	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc2oc(C(=O)OC)cc2c1	755914458	UJCRJOCJCCHZBF-UHFFFAOYSA-N	305.290	1.782	50	20	DDGD	
Cc1cc(C)n([C@@H](C)CC(=O)NNC(=O)c2cccc(F)n2)n1	856422087	NVPCBTWYSDSNRD-NSHDSACASA-N	319.340	1.446	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cccc2c[nH]nc12)C1CC1	855101386	AXCCTALQBYDHCO-QMMMGPOBSA-N	303.391	1.470	50	20	DDGD	
C[C@@H]1O[C@H](C)CC1=NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C	853377976	MKYLAASDTJVRFW-NWJSVONSSA-N	320.393	1.557	50	20	DDGD	
C[C@H]1CN(C)CC1=NNC(=O)COc1ccccc1[N+](=O)[O-]	752164268	QYEWNISKKACRRQ-JTQLQIEISA-N	306.322	1.027	50	20	DDGD	
CN(C)C(=O)CC1CCN(C(=O)NNC(=O)C2CCCC2)CC1	753339322	JBRRWUWCQNHSAR-UHFFFAOYSA-N	324.425	1.108	50	20	DDGD	
CCOCCC1(C(=O)NNC(=S)N[C@@H](C)C2CC2)CCC1	855098849	MYIDNTRZPDNYJE-NSHDSACASA-N	313.467	1.877	50	20	DDGD	
CC(C)CCOc1ccc(C(=O)NNC(=O)[C@H](C)N(C)C)cc1	750607782	ZSZMEEKRBKOYSW-ZDUSSCGKSA-N	321.421	1.823	50	20	DDGD	
CCOc1nc2sccn2c1C=NNC(=O)c1ccncc1	753922474	RXLXPWAKOAEZCK-UHFFFAOYSA-N	315.358	1.953	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=Cc2cn(C)nn2)cc1	755564217	RHEWODWQFRICQI-NSHDSACASA-N	317.349	1.131	50	20	DDGD	
C[C@@H]1CCN(S(=O)(=O)c2ccc(CCl)cc2)[C@H]1CO	388776498	JKVUZEJABMKJMH-MFKMUULPSA-N	303.811	1.817	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2C[C@@H]2C2CC2)c1	751213232	UUWHMAQMOIVVRJ-ZIAGYGMSSA-N	304.346	1.511	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1cc(F)cc(Cl)c1	757700959	HBWLLRXHHWOPIL-UHFFFAOYSA-N	311.704	1.977	50	20	DDGD	
CO[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(C#N)c2)C1(C)C	753425876	QMMCDVNYKYECKS-OLZOCXBDSA-N	316.361	1.316	50	20	DDGD	
C[C@H](NNC(=O)c1ccc(Cn2cccn2)o1)C(F)(F)F	862307992	VAVNVYOVMAVQSK-QMMMGPOBSA-N	302.256	1.710	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@]2(C)CCOc3ccccc32)n[nH]1	935140058	JOYNFTLFPBRKKF-INIZCTEOSA-N	314.345	1.220	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cn2cc(C)ccc2n1	860540695	HEANIFGZEAKMEG-UHFFFAOYSA-N	323.447	1.115	50	20	DDGD	
COc1ccc(CCC(=O)NN=C2CCS(=O)CC2)cc1	761812011	LJXVJDDKKSFNSO-UHFFFAOYSA-N	308.403	1.643	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNc1nc2ccccc2[nH]1	768501831	LQSAJSKDFSKVNN-UHFFFAOYSA-N	307.313	1.957	50	20	DDGD	
O=C(NNC(=O)C1(F)CCOCC1)c1cc2c(s1)CCC2	864484588	YNBAUBWQZOYJDF-UHFFFAOYSA-N	312.366	1.517	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H]2CCCCC2(F)F)n[nH]1	869018014	XWGSSUCTERCEKC-JTQLQIEISA-N	300.309	1.234	50	20	DDGD	
C/C(=C\C1CCC(C)CC1)C(=O)NNC(=O)Cc1cc[nH]n1	865198680	LDBXEKJIRZNFPQ-FMIVXFBMSA-N	304.394	1.872	50	20	DDGD	
CC(Cc1nc2ccccc2s1)=NNC(=O)[C@@H]1CCC(=O)N1	863149010	OWNYHSAVJPNHMU-NSHDSACASA-N	316.386	1.610	50	20	DDGD	
Cc1c(NNC(=O)NCCc2ccnn2C)cccc1[N+](=O)[O-]	763170620	UAWMBRQMYZCBMP-UHFFFAOYSA-N	318.337	1.506	50	20	DDGD	
CCSc1ccc(C(C)=NNC(=O)[C@@H]2CCC(=O)N2)cc1	863148206	WMZHBDGUGPBFGX-ZDUSSCGKSA-N	305.403	1.917	50	20	DDGD	
Cn1c(CC(=O)NN=C2CCC(O)CC2)nc2ccccc21	761760629	URBNJCALIGNFGI-UHFFFAOYSA-N	300.362	1.523	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H]2CCc3cc(F)ccc32)n[nH]1	869019815	XRWJEYYQZQVDOK-CQSZACIVSA-N	316.336	1.277	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)Cn2cc(C3CC3)cn2)c1	862480745	JBWVRLWNXBZAGE-UHFFFAOYSA-N	304.375	1.592	50	20	DDGD	
CC[C@H](C(=O)NNCC(F)(F)C(F)(F)F)N1CCCC1=O	863095638	TUDHAFXPQYDZRX-SSDOTTSWSA-N	317.258	1.206	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cc(F)cc2cccnc12	760259464	HWNKDBHTRIFALR-LLVKDONJSA-N	319.336	1.876	50	20	DDGD	
CC(C)Cc1ccc(C(=O)NNC(=O)c2cnn(C)c2)s1	933088674	PIVLEMSAAHROFC-UHFFFAOYSA-N	306.391	1.755	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CC(=O)N(Cc2ccccc2)C1	765264909	GHYCGWYALAQGLO-UHFFFAOYSA-N	318.377	1.075	50	20	DDGD	
Cc1ccccc1C(=O)CNS(=O)(=O)CBr	867571631	KPJCGJPLTBCOAU-UHFFFAOYSA-N	306.181	1.450	50	20	DDGD	
COCc1ncsc1C(=O)NNC(=O)c1cc(C)cs1	862479318	KLYOTSWIEFQWRG-UHFFFAOYSA-N	311.388	1.734	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cnc([C@H]2CCCO2)s1	760381305	GZQGWAZXEGJJSD-SECBINFHSA-N	310.379	1.349	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CCc1cn[nH]c1)c1ccccc1	863868306	BDABVCJTVLZKMO-UHFFFAOYSA-N	300.362	1.468	50	20	DDGD	
COc1ccccc1C/C(C)=C\C(=O)NNC(=O)C(C)(C)O	768254803	DNSKENHFKZPFCP-KHPPLWFESA-N	306.362	1.102	50	20	DDGD	
O=C(/C=C\CN1CCOCC1)NNc1cccc(F)c1[N+](=O)[O-]	867912080	KBSIFPZPDRINHC-DJWKRKHSSA-N	324.312	1.065	50	20	DDGD	
COc1ccc(CCCC(=O)NNC(=S)NC(C)C)cc1	1115920040	CQBMVJWTOPXVSC-UHFFFAOYSA-N	309.435	1.922	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)NC1CC1	764881367	PZGXDAJUQDVYFZ-JTQLQIEISA-N	318.160	1.520	50	20	DDGD	
O=C(C[C@@H]1CCCC[C@H]1O)NNC(=S)Nc1ccccn1	874956415	WRKRVBYMIFVWOM-WDEREUQCSA-N	308.407	1.340	50	20	DDGD	
COCCOCC(=O)NN=Cc1cc(OC)c(OC)cc1C	872402023	RURCMOMKXVSNET-UHFFFAOYSA-N	310.350	1.125	50	20	DDGD	
CC1(C)C[C@@H]1CNC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1118812451	GTRMYYAFVUINPW-ZDMBXUJBSA-N	317.227	1.438	50	20	DDGD	
CC[C@H](CO)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	779814844	FNRFVTNEVZORFK-MRVPVSSYSA-N	322.333	1.145	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(c2cccc(C)c2)CC1	772042022	ONUWXMCCHMJLKV-LBPRGKRZSA-N	318.373	1.516	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)cc1)[C@H]1CCCOC1	779767185	LVIKWEQSUAZJHB-ZDUSSCGKSA-N	303.362	1.852	50	20	DDGD	
CC(=O)N(CC(=O)NNc1nc(C)cc(C)n1)c1ccccc1	878039101	XWRQDXFHPYBUED-UHFFFAOYSA-N	313.361	1.590	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc(C)n([C@H](C)C2CC2)n1	777389430	RFEMNUFZSVGQKA-SNVBAGLBSA-N	316.365	1.269	50	20	DDGD	
O=C(NN=Cc1ccc(Oc2ccccc2)o1)C(=O)NC1CC1	779767331	MQVWAWTZZPPPPN-UHFFFAOYSA-N	313.313	1.801	50	20	DDGD	
C=C(CNC(=O)NNC(=O)C1CCOCC1)c1ccccc1	883698104	XYFSFPXWLCLSQD-UHFFFAOYSA-N	303.362	1.457	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1cccc(OCCOC)c1	887145506	GOWQZVSHHBJDAS-UHFFFAOYSA-N	318.373	1.205	50	20	DDGD	
Cc1ccccc1-c1nc(C)c(C(=O)NNC(=O)CO)s1	776188733	KKPMVFVNRCIFDV-UHFFFAOYSA-N	305.359	1.180	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)c2ccccc2O)cc(O)n1	775603912	DDIQQWWICMARBW-UHFFFAOYSA-N	315.329	1.691	50	20	DDGD	
CN(NC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1)C(N)=O	770438001	HGZUZMJXZLLZEV-UHFFFAOYSA-N	320.330	1.194	50	20	DDGD	
CC(C)Oc1ccc([C@H]2CCCC2=NNC(=O)C(N)=O)cc1	776758659	VEPXPSFGUSCTQV-CYBMUJFWSA-N	303.362	1.699	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1Cc2ccccc21	772159196	IRTZMCHRTFVJAK-SMDDNHRTSA-N	318.373	1.452	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)CCCCl)C[C@]2(CCO[C@@H]2C)O1	882140773	QBEXALOHRJIQPI-UTUOFQBUSA-N	311.831	1.213	50	20	DDGD	
CC(=O)NCC[C@H]1CCCN(S(=O)(=O)CCCCl)C1	882198633	ZRZYXIBHUJNFMM-GFCCVEGCSA-N	310.847	1.183	50	20	DDGD	
Cc1ccc(F)cc1C(=O)C(=O)NNc1nccnc1Cl	782116670	CGPXNXYFPYMFSX-UHFFFAOYSA-N	308.700	1.904	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1scnc1C1CC1	782233192	SGQSODHRXQCGGT-UHFFFAOYSA-N	308.407	1.775	50	20	DDGD	
CC[C@@H](C(=O)NNc1nc2ccccc2c(=O)n1CC)[C@H](C)O	789952550	CIVJQPRNZWXVCX-WDEREUQCSA-N	318.377	1.267	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(OCCCOC)cc1	887144456	NQRLFPQAWGDIRN-UHFFFAOYSA-N	318.373	1.666	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ncncc2Cl)c2ccccc21	789853192	GIVOGSLHPQZPHQ-JTQLQIEISA-N	302.721	1.943	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=CCC2CCOCC2)cc1	788699914	LMQXKZVNJHEOMV-UHFFFAOYSA-N	301.346	1.856	50	20	DDGD	
Cc1ccc(CNC(=O)NNc2cccc(C#N)c2)c(=O)n1C	787345594	JRZCKXMSSADPBL-UHFFFAOYSA-N	311.345	1.392	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@]2(OC)CCSC2)cc1	898273255	UXWRXCXLBRZTNN-OAHLLOKOSA-N	324.402	1.367	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)Nc1nnc(-c2ccco2)s1	782018323	ICRKZDLQVZMEPT-UHFFFAOYSA-N	302.319	1.764	50	20	DDGD	
CN1CCCC[C@@H](CNC(=O)NNC(=O)c2ccccc2O)C1	897544195	JXSDGTPKXAFUDL-LBPRGKRZSA-N	320.393	1.068	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NC[C@@H]2CCCCS2)c1	784285536	IZOOYEXQOIHBJJ-ZDUSSCGKSA-N	318.402	1.788	50	20	DDGD	
CCCNC(=O)C1CCN(C(=O)NCCSSC)CC1	790883719	XCGUUSHJHGAWBX-UHFFFAOYSA-N	319.496	1.945	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)C2=CCOCC2)cc1	792820507	PBZUFXVHEWAULK-UHFFFAOYSA-N	306.387	1.581	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCCc2cccs2)o1	794248616	ZZWKMPIAYVODNO-UHFFFAOYSA-N	304.331	1.399	50	20	DDGD	
CSc1cccc(F)c1C(=O)NNC(=O)c1cnn(C)c1	798443833	JPXKQQWIOHLMGE-UHFFFAOYSA-N	308.338	1.356	50	20	DDGD	
CC(=NNC(=O)c1cccc(S(C)(=O)=O)c1)c1cnoc1C	799475391	ATORJAPZSKWVCE-UHFFFAOYSA-N	321.358	1.541	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1ccnc(F)c1	794877676	AHYZQRCOGMXQOZ-NSHDSACASA-N	308.357	1.029	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CNc1ccc(C#N)cn1	798313802	VQYZVXRFVQDCJQ-UHFFFAOYSA-N	324.344	1.527	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2n[nH]cc2C)c1	799407157	NOEOHFPKVJIMQD-UHFFFAOYSA-N	302.334	1.175	50	20	DDGD	
CC[C@H]1CCC[C@@H]1NCC(=O)NNC(=O)c1cccc(C)c1	794576425	UQQNVTVUYWUCLR-ZFWWWQNUSA-N	303.406	1.924	50	20	DDGD	
COc1cc(C(C)=NNC(=O)CCO)ccc1OC(F)F	1318924559	UHBXWZHDCJQPKD-UHFFFAOYSA-N	302.277	1.519	50	20	DDGD	
COC(=O)C(=O)NN=Cc1c(C)nn(Cc2ccccc2)c1C	1318965236	APDOMIXJKFKPRO-UHFFFAOYSA-N	314.345	1.171	50	20	DDGD	
O=C(NCB(O)O)c1ccc2cc(Br)ccc2c1	585063365	XKTATORYYBQJDD-UHFFFAOYSA-N	307.940	1.344	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccc3nonc3c2)cc1	1324567902	UXNZFUOGXRXYSE-UHFFFAOYSA-N	310.313	1.860	50	20	DDGD	
O=C(NNc1cccc(Br)n1)[C@]1(F)CCOC1	1325525497	HFEFKMIHVFSWGS-JTQLQIEISA-N	304.119	1.416	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2c(C3CC3)cnn2C)cc1	1327719603	ITYUTVKDQRBSIA-UHFFFAOYSA-N	314.345	1.381	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1ccn(-c2ccncc2)n1	1321203719	GMUFJAIASJKOAQ-UHFFFAOYSA-N	323.312	1.048	50	20	DDGD	
CN(C)[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ccccc1	1251774922	GZZUVVLLMSEJCG-KBPBESRZSA-N	304.394	1.503	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@]2(Cl)C[C@H]3CC[C@H]2O3)cc1	1332023313	XAYNHGKJBDEILK-JMSVASOKSA-N	324.764	1.385	50	20	DDGD	
Cc1c(C(=O)NNc2ccccc2)nnn1C1CCNCC1	1349130800	HCDKJZPGRUECJH-UHFFFAOYSA-N	300.366	1.268	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)Nc2ccccc2)o1	1340043693	ZTDMHDIUBYEYGP-UHFFFAOYSA-N	303.274	1.533	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)C1(Oc2ccccc2)CC1	1261746557	MVFWKLTYWZTNDE-UHFFFAOYSA-N	319.430	1.893	50	20	DDGD	
COCCn1cc(CNC(=O)[C@@]2(C)C[C@H]2Br)cn1	1262172850	LLJWFKSCLFMMCV-PWSUYJOCSA-N	316.199	1.319	50	20	DDGD	
C[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1	1351736483	FZLVDBIBQIFXMJ-VIFPVBQESA-N	316.191	1.200	50	20	DDGD	
COc1ccc(NNC(=O)NCc2nc3c(s2)CCC3)nc1	1354358877	PVWDPRUFAUPDJD-UHFFFAOYSA-N	319.390	1.862	50	20	DDGD	
O=C(NCCCC(F)F)NNc1ccc(-n2cccn2)nn1	1354192309	DMMGEOWHQSXBGM-UHFFFAOYSA-N	311.296	1.334	50	20	DDGD	
C[C@@]1(CO)CN(C(=O)c2cccc(CCl)c2)C[C@]1(C)CO	1358474085	ILQQLMAAUOTOGP-IYBDPMFKSA-N	311.809	1.878	50	20	DDGD	
O=C(O)C[C@H]1COCCN1C[C@@H](CBr)C1CC1	1601963725	PNNNDYNAKPPWHE-MNOVXSKESA-N	306.200	1.583	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)c1cnns1	1609559017	AIGNALJXZVXEDN-UHFFFAOYSA-N	322.741	1.129	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1ccc(OC(C)(C)C)cc1	1609553257	TWPSWEJLSQVCEF-UHFFFAOYSA-N	307.350	1.972	50	20	DDGD	
Cn1cc([N+](=O)[O-])cc1C(=O)NNc1cccc(C(=O)O)c1F	1600970939	UFQMCJLJSCHKKW-UHFFFAOYSA-N	322.252	1.528	50	20	DDGD	
O=C(Cc1ccc(C(=O)O)cc1)NNC(=O)Cc1ccsc1	1601356166	IHXHFXSRFKQJNR-UHFFFAOYSA-N	318.354	1.379	50	20	DDGD	
O=C(O)[C@@]12CCCC[C@@H]1CN(S(=O)(=O)CCCCl)C2	1602206695	RUXOCGPZDKFAGK-ZYHUDNBSSA-N	309.815	1.522	50	20	DDGD	
Cc1oc(C(=O)O)cc1C(=O)NNC(=O)OCC(F)(F)F	1608034359	VLWQTQQJYVWJDY-UHFFFAOYSA-N	310.184	1.220	50	20	DDGD	
CCC[C@@H]1C[C@H]1NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1604237838	DNXZILAVMACCME-PSASIEDQSA-N	302.342	1.076	50	20	DDGD	
Cc1cnc(C(=O)NNc2ccc(F)c(C(=O)O)c2)c(O)c1	1607904944	FUTDKKYTASZMNW-UHFFFAOYSA-N	305.265	1.690	50	20	DDGD	
CO[C@H](C=NNC(=O)[C@@H]1CCCO[C@@H]1c1nccn1C)C1CC1	1549315308	LCVHUXZPNNUDCZ-MCIONIFRSA-N	320.393	1.415	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@@H]1C(=O)NN=Cc1ccns1	1549318254	XIIJNCCWKZLOAR-RYUDHWBXSA-N	319.390	1.495	50	20	DDGD	
CCn1nccc1[C@H]1OCCC[C@@H]1C=NNC(=O)CN(C)C	1552449239	IZHJBLFBZUMBRP-DOMZBBRYSA-N	307.398	1.034	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)Nc1ccc2c(c1)OCO2	1574578749	NMMNNOMREOTMAM-UHFFFAOYSA-N	316.273	1.657	50	20	DDGD	
C[C@H](NS(=O)(=O)CCl)c1ccc(-c2nn[nH]n2)cc1	1589977367	WCDFMMWVNKPZTG-ZETCQYMHSA-N	301.759	1.043	50	20	DDGD	
CCC(=O)N1CCCC12CN(C(=O)[C@@H](C)CBr)C2	1842633732	QETDBYOSCRJHFD-JTQLQIEISA-N	317.227	1.631	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1nccn1C)C2	1845163951	CWIXEGCORUJIEO-NSHDSACASA-N	324.812	1.255	50	20	DDGD	
Cc1cc(C(=O)N2CCCC23CN(C(=O)[C@H](F)Cl)C3)c[nH]1	1843553086	GJSLAZGGNZHJED-NSHDSACASA-N	313.760	1.675	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)C(C)C	1847631494	YYCVTAXXYQEIEM-CYDGBPFRSA-N	316.829	1.223	50	20	DDGD	
CC[C@@H](CNC(=O)NNc1cccc([N+](=O)[O-])c1C)C(=O)O	1589538317	HKEUGKYGZMPYFZ-VIFPVBQESA-N	310.310	1.640	50	20	DDGD	
CO[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1)C(C)C	1591311995	KWJAJJBZBWJMRT-LLVKDONJSA-N	324.772	1.634	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)C2(C(=O)O)CCCCC2)c1	1594436227	YGSZBGGQEYTPIR-UHFFFAOYSA-N	310.375	1.853	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Nc1cncc(C(=O)O)c1	1594415423	CILAELQPSIOFOX-UHFFFAOYSA-N	314.301	1.555	50	20	DDGD	
O=C(O)CCC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	1594996900	VMTUWNWZZBIYJD-UHFFFAOYSA-N	317.248	1.306	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCC(=O)c1cccc(-c2nn[nH]n2)c1	1592663005	RYXFUNRMVUVCPF-AWNIVKPZSA-N	323.312	1.453	50	20	DDGD	
O=C(NNc1ccc(F)cc1Cl)N[C@H]1C[C@H](C(=O)O)C1	1594780102	IQZUVXKGNXDCCZ-FKQCQYRASA-N	301.705	1.968	50	20	DDGD	
CC(C)(C)OC(=O)NN=Cc1cccn2c(C(=O)O)cnc12	1776015185	OETFIXYXMHCUGN-UHFFFAOYSA-N	304.306	1.891	50	20	DDGD	
CCOCCC(=O)NNC(=O)Cc1cccc2ccccc12	14663281	NZFOGMGSQOLQMR-UHFFFAOYSA-N	300.358	1.956	50	20	DDGD	
CNC(=O)CCCC(=O)NNc1ncc(Cl)cc1Cl	158159380	MHSBTCIWPKVPSL-UHFFFAOYSA-N	305.165	1.748	50	20	DDGD	
COC(=O)NNC(=O)c1cc(OC)c(Br)s1	158826749	AXWKKGZUECOHDL-UHFFFAOYSA-N	309.141	1.520	50	20	DDGD	
COC(=O)NNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1	158749068	BWVYENITEDCDRG-UHFFFAOYSA-N	307.184	1.614	50	20	DDGD	
CN(C)c1cccc(CNC(=O)NNc2ccc(Cl)nn2)n1	164232854	WLDMKWKCPPHTDZ-UHFFFAOYSA-N	321.772	1.417	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccnc(OC(C)C)c2)nn1	151802269	CCKCSTPTLGPVPB-UHFFFAOYSA-N	316.365	1.794	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)OCc2ccccc2)[nH]n1	153188352	WSRFDVJJWASAEP-LLVKDONJSA-N	302.334	1.084	50	20	DDGD	
CCOc1ccc(CCC(=O)NNC(=O)c2cc(C)n[nH]2)cc1	153285160	JSUTVSAVVWMRAT-UHFFFAOYSA-N	316.361	1.511	50	20	DDGD	
C=CCNC(=S)NNC(=O)COC/C=C/c1ccccc1	155616511	MCQSZFSRNHXWCM-RMKNXTFCSA-N	305.403	1.398	50	20	DDGD	
O=C(NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21)NNC(=O)[C@@H]1CCCO1	155653784	OMFQKAZOVPMHTF-APIJFGDWSA-N	315.373	1.082	50	20	DDGD	
COc1ccc(NNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)nc1	159240167	KMXOGHPVKLMSHI-UHFFFAOYSA-N	320.309	1.073	50	20	DDGD	
CC(C)(C)NC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O	159768177	VMDHXPXRFKBICD-UHFFFAOYSA-N	317.349	1.320	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCC(F)(F)[C@@H](CO)C1	404066530	VLULFRJFQQRUIV-SECBINFHSA-N	305.774	1.285	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)Nc1ccncc1	56498927	IODXQYKXFRPWSJ-UHFFFAOYSA-N	304.281	1.452	50	20	DDGD	
CC(=O)NNC(=O)[C@@H](C)Oc1ccccc1Br	112392660	JPZAFSMZKXOJGS-SSDOTTSWSA-N	301.140	1.384	50	20	DDGD	
COCCCOc1cccc(C(=O)NNc2ncccn2)c1	173047676	KFPDHQCKIGYWQR-UHFFFAOYSA-N	302.334	1.649	50	20	DDGD	
C[C@H]1CCC[C@](CNC(=O)NNc2ncccn2)(N(C)C)C1	52587735	SPXIXALYNDRRJZ-WFASDCNBSA-N	306.414	1.613	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@](C)(OC)c2ccccc2)n1	106739672	MVAWXGABOZOWSL-HNNXBMFYSA-N	302.334	1.490	50	20	DDGD	
CCn1c(NNC(=O)[C@@H]2CCCOC2)nc2ccccc2c1=O	171027803	UKGUPKXXBPZANI-LLVKDONJSA-N	316.361	1.286	50	20	DDGD	
CC(C)[C@H](NC(=O)c1cccs1)C(=O)NNc1cnccn1	114877360	AUYITVRPKSCCLR-LBPRGKRZSA-N	319.390	1.436	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H](C)OC[C@@H]2CCCCO2)n1	66310675	GZGPLSAEKOPRFP-STQMWFEESA-N	308.382	1.511	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1ccc(N2CCCC2=O)cc1	178954333	OEAFDCDPDBVRAU-WYMLVPIESA-N	313.357	1.874	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(F)c(C(F)(F)F)c1	67164097	DAGHCYNYBKGNNF-JTQLQIEISA-N	320.242	1.785	50	20	DDGD	
CCOCC(=O)NNC(=O)[C@H](C)Oc1ccc(OCC)cc1	68193156	CWLQVSJIWDYRMD-NSHDSACASA-N	310.350	1.037	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)c2cn(C)nc2C)c1	113461643	QWZDYFWUQAEYIT-UHFFFAOYSA-N	313.386	1.341	50	20	DDGD	
O=C(NNc1ccccc1)N[C@H]1CCN(CC(F)(F)F)C1=O	114966930	TULQGHJDKFNGAR-JTQLQIEISA-N	316.283	1.476	50	20	DDGD	
Cc1cc(-n2cncn2)ccc1C(=O)NNC(=O)CC(C)(C)C	175991477	IJGRIWGWDNVWLJ-UHFFFAOYSA-N	315.377	1.773	50	20	DDGD	
O=C(NCCOc1ccc(Cl)cn1)NNc1ncccn1	119736114	WUMOBSNRPDJQJF-UHFFFAOYSA-N	308.729	1.230	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNc2nccn(C)c2=O)cc1	122318830	CUSKMLJAGLZQRN-NSHDSACASA-N	316.361	1.111	50	20	DDGD	
CCN1C[C@H](C(=O)NNC(=O)c2cc3ccccc3o2)CC1=O	177725905	BLSUFKPUONUBQA-LLVKDONJSA-N	315.329	1.062	50	20	DDGD	
O=C(NC[C@@H]1CCCO1)NNC(=O)Nc1cc(F)cc(F)c1	63399153	MUKGLBSTSDLODA-NSHDSACASA-N	314.292	1.480	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(F)cc3[nH]cnc23)n1	174480498	KYAZYEFRRKWRPI-UHFFFAOYSA-N	316.296	1.566	50	20	DDGD	
O=C1CSc2ccc(C(=O)NNC(=O)NCC3CC3)cc2N1	65197294	ZNYFOKNFDQSKSH-UHFFFAOYSA-N	320.374	1.085	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNC(=O)c2cc3ccccc3o2)nc1	177744587	XPHBAGKJXOAEFZ-UHFFFAOYSA-N	324.296	1.002	50	20	DDGD	
Cc1ccc([C@H](CNC(=O)NNc2ncccn2)N(C)C)cc1	65469361	PXKFJKXKCHRUGW-AWEZNQCLSA-N	314.393	1.714	50	20	DDGD	
O=C(NNC(=O)C1=Cc2ccccc2OC1)NC1CCCC1	65920386	YHNRFDRJWFMHKW-UHFFFAOYSA-N	301.346	1.735	50	20	DDGD	
Cc1ccc(F)c(NC(=O)C(=O)NNC(=O)c2ccc(C)o2)c1	129593959	MEOZXJAGIJAZET-UHFFFAOYSA-N	319.292	1.435	50	20	DDGD	
COC(=O)NNC(=O)Nc1cnn(-c2ccc(C)cc2C)c1	189665487	GBSONFZJLJXXSI-UHFFFAOYSA-N	303.322	1.882	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@@H]1CCCN(C(=O)C2CC2)C1	182471163	UUFOTFWFVJJTIH-LLVKDONJSA-N	306.341	1.312	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Cc1csc(-c2cccnc2)n1	127229630	VOJRZLLUNZAJEC-UHFFFAOYSA-N	318.402	1.941	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)/C=C/c1ccc[nH]1	189554089	NBBCAPZTURPDNU-FBOQAHMBSA-N	317.320	1.782	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)cc1	126979030	BGRNCNCEXWOKOT-JTQLQIEISA-N	315.295	1.849	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCc1ccc2[nH]ccc2c1	181470804	CUROLSPTKOISRW-UHFFFAOYSA-N	302.403	1.782	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2CC[C@H](C)[C@H](C)C2)n1	122600432	ZMGNSHXTEKOUMI-WDEREUQCSA-N	324.450	1.119	50	20	DDGD	
CC(C)(C)c1noc(CCCC(=O)NNc2ncc(F)cn2)n1	122989064	KBOFDOPGUQNINF-UHFFFAOYSA-N	322.344	1.762	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1ccc(C)cc1Br	40432275	VLWBWDODHDTDIC-UHFFFAOYSA-N	307.169	1.087	50	20	DDGD	
Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)NNC(=O)CO	186582664	IWBVJDRZJAJEDU-GFCCVEGCSA-N	320.393	1.519	50	20	DDGD	
CCOCCNC(=O)NNC(=O)Cc1cccc2ccccc12	45641819	NIGBVFSNEHXGEJ-UHFFFAOYSA-N	315.373	1.749	50	20	DDGD	
C=CCN(CC=C)[C@H](CNC(=O)NNc1ncccn1)C(C)C	46905648	NFQWMRKVOXWXHW-CQSZACIVSA-N	318.425	1.801	50	20	DDGD	
CN(C)C(=O)NNC(=O)Cc1csc(Cc2ccccc2)n1	194918543	AXIBKIZZCIFQGP-UHFFFAOYSA-N	318.402	1.579	50	20	DDGD	
COC(=O)c1ccccc1-c1ccccc1C(=O)NNC(C)=O	195312346	LQSGZMXINZULJN-UHFFFAOYSA-N	312.325	1.921	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NCc2ccccc2C)n1	43480168	VAEXZBFDMBTKLU-UHFFFAOYSA-N	315.377	1.339	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1ccnc(F)c1F	193550550	YHNBJGXOSVHWBG-UHFFFAOYSA-N	309.247	1.503	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NNC(=O)[C@H](C)CC)c(C)c1	194728810	QDSGYWKMYTYFAH-SNVBAGLBSA-N	314.407	1.749	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cn2nc(C)c(Cl)c2C)o1	84380651	UQIPJHBETITLSW-UHFFFAOYSA-N	310.741	1.516	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)c1cnn(C)c1)c1ccccc1	80356093	ARCKMXQUOVNUGQ-CQSZACIVSA-N	300.362	1.621	50	20	DDGD	
CO[C@H](C)c1nc(CNC(=O)NNC(=O)C(C)(C)C)cs1	267783381	UQLDMGLRYWWTEF-MRVPVSSYSA-N	314.411	1.727	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CCCc1ccc2c(c1)CC(=O)N2	264306876	TWMAYPGICVGHKS-UHFFFAOYSA-N	317.389	1.697	50	20	DDGD	
CC(C)Oc1cc(F)ccc1NC(=O)C(=O)NNC(=O)C1CC1	274051682	LKMHHOQMXVNGHY-UHFFFAOYSA-N	323.324	1.109	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2cc(Cl)ccc2F)CC1	278601990	LCZRWGDYKJOGOJ-UHFFFAOYSA-N	314.748	1.081	50	20	DDGD	
C=CCCCCNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	274485023	BYFNCWJWMWWHKE-UHFFFAOYSA-N	322.321	1.601	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccccc1OC[C@H]1CCCCO1	273205753	MCTGLAXTEJZUMJ-GFCCVEGCSA-N	307.350	1.807	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H](C)c2ncn(C)n2)cc1	275664862	YXOZPUIJQAMIBT-SNVBAGLBSA-N	316.365	1.083	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CCCc2ccccc2)nn1C	274903872	VNKGOHRIOBZWPO-UHFFFAOYSA-N	316.361	1.213	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)N1CCN(C)CC1)c1ccccc1F	278741386	WBAKLXIHMHGNKI-LBPRGKRZSA-N	322.384	1.308	50	20	DDGD	
COC(=O)NNC(=O)[C@@H](C)Oc1ccc(CCC(C)=O)cc1	274289454	MANNHVJRWIGOHN-LLVKDONJSA-N	308.334	1.363	50	20	DDGD	
C[C@H](NC(=O)NNc1ncnc2ccsc12)c1ncn(C)n1	275432659	DZKVWDPLZUTMGY-ZETCQYMHSA-N	318.366	1.207	50	20	DDGD	
COc1ccc2c(c1)OC[C@H](NC(=O)NNC(=O)CC(C)C)C2	271108481	GTRPXVJLABPTIE-GFCCVEGCSA-N	321.377	1.375	50	20	DDGD	
COC1(CC(=O)NNc2nc(O)c3ccccc3n2)CCC1	276736155	CKYCRGWJVRPZAM-UHFFFAOYSA-N	302.334	1.738	50	20	DDGD	
CSSCCNC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12	375229978	SJQAVNAXTIFSNI-KWQFWETISA-N	306.478	1.568	50	20	DDGD	
COc1ccc(NNC(=O)NCC2([S@@](C)=O)CCC2)nc1	281595924	QWUFRHNSVTXFPB-OAQYLSRUSA-N	312.395	1.018	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H]1CCn2c(cnc2C)C1	289659436	XVFNMQVOTFQEPU-CYBMUJFWSA-N	312.373	1.524	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C[C@@H]2CCCC(=O)N2)cc1	289001692	WOIOZBXFERUCNK-ZDUSSCGKSA-N	303.362	1.069	50	20	DDGD	
COCC1(CCNC(=O)NNC(=O)c2ccccc2O)CCC1	297209341	DXQVXXNPDIBZDW-UHFFFAOYSA-N	321.377	1.543	50	20	DDGD	
N[C@@H]1CCCC[C@H]1CC(=O)NNc1nc(-c2cccnc2)no1	295574075	AXDYYIPXPHUDNV-CMPLNLGQSA-N	316.365	1.482	50	20	DDGD	
CNC(=O)c1ccc(/C=C/C(=O)NNC(=O)OC(C)(C)C)cc1	298370880	MHHTZGHUKHMPOV-JXMROGBWSA-N	319.361	1.615	50	20	DDGD	
CC(C)(C)C(=O)CCCC(=O)NNC(=O)Cc1ccncc1	294799523	BJFCJLTYCJZVHD-UHFFFAOYSA-N	305.378	1.557	50	20	DDGD	
CC(C)n1ncc(C(=O)NNC(=O)Nc2ccccc2)c1N	801987132	STHFRDQXXFTUKP-UHFFFAOYSA-N	302.338	1.513	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccc[nH]1)[C@@H]1OCCc2sccc21	292127957	CONFNQLTXDYMDU-ZANVPECISA-N	319.386	1.787	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)c1ccc(Cl)cc1O)C1CC1	292251923	HGFNRTZPRZATFR-AWEZNQCLSA-N	312.753	1.622	50	20	DDGD	
CCOc1ccc(CC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	295628554	SEDRGKANNCEKOH-AWEZNQCLSA-N	306.362	1.344	50	20	DDGD	
Cc1nccc(CNC(=O)NNc2ccc3c(=O)[nH]ccc3c2)n1	806489612	XUZCQFBGKMNBOW-UHFFFAOYSA-N	324.344	1.453	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(F)n1)c1nnc2ccccn12	804896886	APUUDGOGKFMOTE-VIFPVBQESA-N	315.312	1.651	50	20	DDGD	
COCc1ncc(C(=O)NNc2nccnc2C(C)C)s1	803226011	IKZJXFMUQKEOKO-UHFFFAOYSA-N	307.379	1.960	50	20	DDGD	
O=C(NNc1cccc(F)n1)N[C@H]1CCN(CC(F)(F)F)C1	805184645	UWNDEPIIHZCBAY-QMMMGPOBSA-N	321.278	1.483	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1ccncc1	299541283	ABHHNTPQMZEUEA-UHFFFAOYSA-N	322.365	1.148	50	20	DDGD	
CC[C@H](C)[C@@H](CNC(=O)NNC(=O)c1ccc(C#N)cc1)OC	296281510	IGBUEQPFWOJQRX-SMDDNHRTSA-N	318.377	1.563	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2cccnc2F)nc1C	807203679	PKSNJBWSNLQWDT-UHFFFAOYSA-N	319.296	1.253	50	20	DDGD	
CN1CC[C@@H](C(=O)NNC(=O)Nc2ccc(Cl)cc2)CC1=O	802019234	YOZRMJKNIWDWRJ-SECBINFHSA-N	324.768	1.361	50	20	DDGD	
Cc1cc(C)nc(C(=O)NNC(=O)COc2ccc(F)cc2)c1	801082989	NRBWNEIYBRHJET-UHFFFAOYSA-N	317.320	1.678	50	20	DDGD	
COc1ccc(-n2ccc(C(=O)NNC(=O)CC3CC3)n2)cc1	294187576	OOGLYRXJUANBJF-UHFFFAOYSA-N	314.345	1.442	50	20	DDGD	
COc1nc(C)ccc1C(=O)NNC(=O)Nc1ccccc1	801988958	YCINWTPOCSFAKG-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cc2n(n1)CCCO2	805381541	JJMVYAIRYZGMJF-UHFFFAOYSA-N	317.305	1.639	50	20	DDGD	
CC1(C)CC(C(=O)OCC(=O)NNC(=O)c2ccccc2)C1	803754779	QNTAKGAJYBDLIO-UHFFFAOYSA-N	304.346	1.427	50	20	DDGD	
COc1cccc([S@@](=O)CC(=O)NNC(=O)C2CCCC2)c1	819095352	FSJNHDZQNLMCMV-QFIPXVFZSA-N	324.402	1.140	50	20	DDGD	
Cc1cc(Cl)cc2c1OCC2=NNC(=O)c1cnccn1	814793639	JGPHMSSZJFLAHK-UHFFFAOYSA-N	302.721	1.965	50	20	DDGD	
Cn1nncc1NNC(=O)Cn1ccc2ccc(Cl)cc21	816770516	AKJWODMAWSCWHH-UHFFFAOYSA-N	304.741	1.567	50	20	DDGD	
Cc1cccc(OCC(=O)NN=C2CCS(=O)(=O)CC2)c1	814716670	PEQMITCBDXQSIH-UHFFFAOYSA-N	310.375	1.055	50	20	DDGD	
O=C(CCc1ccccc1O)NN=C1CCS(=O)(=O)CC1	814840671	PPUDKOZRSFBFTG-UHFFFAOYSA-N	310.375	1.006	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2CC[C@H](CC(=O)O)[C@H]2C)n1	814753289	SOVHMBCIQZJICX-VXGBXAGGSA-N	306.366	1.493	50	20	DDGD	
O=C(CCOc1ccccc1)NN=Cc1c[nH]c(C(=O)O)c1	814823831	YARYOXPMAMLAHZ-UHFFFAOYSA-N	301.302	1.632	50	20	DDGD	
CO[C@@H](C)[C@@H](C)NC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	811959935	KRLDQUAHNWPHKP-MNOVXSKESA-N	323.397	1.512	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2cc(C)ccc2C)nn1C	817385678	KZVUGUVMPNDDNP-UHFFFAOYSA-N	315.377	1.681	50	20	DDGD	
CCCNC(=O)NNC(=O)Cc1ccccc1C(F)(F)F	729345148	KRLMWQJNPWCHFZ-UHFFFAOYSA-N	303.284	1.988	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNC(=S)Nc1ccccn1	810643149	JMLFCEDUDPPARL-UHFFFAOYSA-N	310.382	1.623	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NN=Cc2c[nH]c(C(=O)O)c2)c1	814720249	GVTJBBGFUITIPQ-UHFFFAOYSA-N	315.329	1.859	50	20	DDGD	
O=C(NNC(=O)[C@H](F)C(F)(F)F)c1cccc2ncccc12	810360462	PEKQLZXIPMPSOC-JTQLQIEISA-N	315.226	1.896	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1ccc(-n2ccnc2)cc1	728786270	YCIYOBXURVKMGD-UHFFFAOYSA-N	305.341	1.960	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C	825753454	MIVGKHZFIAASDP-KOPCRSHDSA-N	323.437	1.957	50	20	DDGD	
CC(C)C[C@@H](NC(=O)O)C(=O)NNc1cccnc1Cl	824211990	WPMNRHPZLOZEOR-SECBINFHSA-N	300.746	1.860	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1F)c1c[nH]c(-c2nn[nH]n2)c1	826447661	QEHBZRJPGFYUDL-UHFFFAOYSA-N	323.238	1.369	50	20	DDGD	
COc1ccc(C(=O)NN(C)[C@@H](C)CO)cc1-c1ccccn1	823939699	OMNQKUYKJONOGV-LBPRGKRZSA-N	315.373	1.715	50	20	DDGD	
Cc1ccc(-c2nn[nH]n2)cc1NC(=O)NNc1ccccn1	826278174	SSWHSUIAARXUGU-UHFFFAOYSA-N	310.321	1.719	50	20	DDGD	
O=C(O)Cc1cccc(NC(=O)NNC(=O)c2ccccc2)c1	821538146	NWMLPPGEWHVNCS-UHFFFAOYSA-N	313.313	1.780	50	20	DDGD	
CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NNc2cccnn2)C1	492787369	CLGZMOPCGJERHE-JTQLQIEISA-N	319.365	1.177	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)/C=C\[C@H]2CCOC2)c1	493675831	RPOWIWXPOWUZDF-DGMVEKRQSA-N	318.377	1.816	50	20	DDGD	
Cc1ccccc1[C@@H]1CCCN1CC(=O)NNC(=O)C(C)C	827438405	OUSRHIHLIIENKF-HNNXBMFYSA-N	303.406	1.935	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(-c2ccc(Cl)cc2)on1	823977302	UBKHYIQUFNWETL-VIFPVBQESA-N	309.753	1.952	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1	491163797	YFWOKEIBTZQMLM-IQUZECRKSA-N	318.348	1.852	50	20	DDGD	
Cn1cc(-c2nn[nH]n2)cc1C(=O)NNc1cccc(F)c1	826358563	YRJXHZDBCHXLJQ-UHFFFAOYSA-N	301.285	1.101	50	20	DDGD	
C[C@H]1OC(=O)N[C@@H]1C(=O)NNc1ccccc1C(F)(F)F	496712788	NXFBTNWMYQOUJE-MUWHJKNJSA-N	303.240	1.645	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NCCSC	726279341	ULSIMQSMUOOINV-UHFFFAOYSA-N	311.407	1.321	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H](C)CCc1ccccc1	825525194	BLRKFDIVKCTDME-VNHYZAJKSA-N	319.405	1.763	50	20	DDGD	
OB(O)c1ccc(CNC[C@H]2C[C@]23CCCc2ccccc23)o1	585028279	IJTPWIUCSDVZIJ-RDTXWAMCSA-N	311.190	1.343	50	20	DDGD	
C=CCc1cc(C(=O)N2CC[C@H](B(O)O)C2)cc(OC)c1OC	585068709	GANABVHNYVWTQO-ZDUSSCGKSA-N	319.166	1.121	50	20	DDGD	
OB(O)c1ccc(-c2noc([C@@H]3CC[C@H]4[C@@H](C3)C4(F)F)n2)cc1	585051897	OGTJUKYEBWMGQR-ADEWGFFLSA-N	320.104	1.565	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1csc(N2CCCCC2)n1	909992164	ANXHQLGZKKZOIP-UHFFFAOYSA-N	313.452	1.214	50	20	DDGD	
CCn1cc(CNC(=O)NNc2cc(F)c(F)cc2F)nn1	821733096	VDKOJFGSURPFFS-UHFFFAOYSA-N	314.271	1.542	50	20	DDGD	
CC[C@@H](O)[C@H](C)C(=O)NNC(=S)NCCc1cccs1	900050142	CRTMKIUCNQWIKH-GXSJLCMTSA-N	315.464	1.193	50	20	DDGD	
CO[C@@H](c1ccccc1F)[C@@H](C)NCc1cccc(B(O)O)c1	585033044	VWPXECBBOVCVTG-SJKOYZFVSA-N	317.169	1.371	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@@H](O)c1ccccc1C(F)(F)F	900427520	MQXGTELVUMALMK-VIFPVBQESA-N	305.256	1.041	50	20	DDGD	
Cn1cc(C(=O)NN[C@H](C(=O)O)c2cccc(Cl)c2)cn1	739023603	VSNBAYYODAABJQ-NSHDSACASA-N	308.725	1.134	50	20	DDGD	
CCOC(=O)Nc1ccc(F)c(C(=O)NN(C)C[C@@H](C)O)c1	822564037	VSTCKSYDSMHCMR-SECBINFHSA-N	313.329	1.352	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1sc(N(C)C)nc1Cl	822840893	RABKXXLLZGAMEI-UHFFFAOYSA-N	305.791	1.215	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C[C@@H]1CCOC1	739469950	FBKUBNCRICHFAC-LBPRGKRZSA-N	322.361	1.038	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21	907644370	VIZKDSHUVWHBJP-RAIGVLPGSA-N	321.764	1.396	50	20	DDGD	
CON1CCC(N(C)C(=O)[C@]2(C)C[C@H]2Br)CC1	909568282	AHNWJFPHJHGZON-ZYHUDNBSSA-N	305.216	1.644	50	20	DDGD	
CCCC[C@](C)(F)C(=O)NNC(=O)C(=O)Nc1ccccn1	830051658	HHUVKCYDZVPZQO-AWEZNQCLSA-N	310.329	1.086	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1ccc2c(n1)CCC2	836752741	OOOUXRNTWYLNDW-UHFFFAOYSA-N	302.256	1.675	50	20	DDGD	
Cc1nnc(NNC(=O)c2ccc(-c3ccccc3)[nH]2)nc1O	732263682	JCRKINIWUASAFR-UHFFFAOYSA-N	310.317	1.638	50	20	DDGD	
N#C/C(=C\c1ccc(-n2cccn2)cc1)S(=O)(=O)NC1CC1	588615635	OGIMFRCMBLIZKH-XNTDXEJSSA-N	314.370	1.819	50	20	DDGD	
C[C@@H]1CCC[C@H]2CCCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]21	584933216	FNHSGBKFBMEKLU-DVOMOZLQSA-N	301.195	1.407	50	20	DDGD	
O=C(NNC(=O)[C@]1(Cl)C[C@H]2CC[C@H]1O2)NC1CCCCC1	905104845	WQEPNSCNYNRTML-GYSYKLTISA-N	315.801	1.578	50	20	DDGD	
C[C@@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)NNc2ccncn2)C1	836349571	TYKQBLHANDNDJQ-JHJVBQTASA-N	306.414	1.469	50	20	DDGD	
Cc1cccc(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1C	731152110	WQDWPJYUKROWST-CYBMUJFWSA-N	309.391	1.124	50	20	DDGD	
N#C/C(=C/c1ccc(=O)[nH]c1)C(=O)N(CC(F)(F)F)C1CC1	901474717	VAXCCYVBUDMNEG-YHYXMXQVSA-N	311.263	1.835	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCC[C@@H]1Cc1ccccc1	584929831	WOSDUTMJGRJLCC-QGZVFWFLSA-N	309.174	1.214	50	20	DDGD	
C[C@H]1CCC[C@@H](N2CCC(=NNC(=O)NCC(=O)O)CC2)C1	833606949	AZOVCIIQDKRSFQ-WCQYABFASA-N	310.398	1.401	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1cncc(Br)c1	588615098	ASUYPVFXJGZUDE-ONNFQVAWSA-N	316.180	1.600	50	20	DDGD	
COC(=O)c1ncoc1CCC(=O)NNc1c(C)cccc1F	832363338	LWBJRYLFUDAOIG-UHFFFAOYSA-N	321.308	1.985	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1ccc2nc(C(F)F)[nH]c2c1	730081676	VGRKAQRPNVSZCY-UHFFFAOYSA-N	319.271	1.903	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccsc1	834937472	OHXCBWDCPUVVQH-JTQLQIEISA-N	300.405	1.413	50	20	DDGD	
CC[C@@H]1CCCCN1CCNC(=O)NNC(=O)CC(F)(F)F	737066807	LBDTUHNZDRSRLK-SNVBAGLBSA-N	324.347	1.534	50	20	DDGD	
C#CCCCC(=O)NN[C@@H](C(=O)OC)c1cccc(OC)c1	901643986	MTUNMDPXQRZUDK-OAHLLOKOSA-N	304.346	1.334	50	20	DDGD	
Cc1ccc(CC(C)(C)NC(=O)c2ccc(B(O)O)cc2)cc1	585001404	XHHIMRHOFKKGOS-UHFFFAOYSA-N	311.190	1.426	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)[C@H]1CCN(Cc2ccccc2)C1	833385241	UEHBWRAJARRZQK-AWEZNQCLSA-N	318.377	1.268	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCc1nc(-c2cccs2)no1	910176821	DKWHVBKMURTNEH-VIFPVBQESA-N	310.379	1.075	50	20	DDGD	
CCN1CC[C@H](NC(=O)NNc2c(C)cccc2Cl)C1=O	838586852	WSIAPZFFNAXPRH-NSHDSACASA-N	310.785	1.895	50	20	DDGD	
CNC(=O)C[C@@H](C)NC(=O)NNc1ccccc1C(F)(F)F	838696478	CURLURVCWCAPPY-MRVPVSSYSA-N	318.299	1.856	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@H]1CCN(c2ccccc2Cl)C1	910148508	TWLQASKMMORPKW-NEPJUHHUSA-N	311.813	1.510	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC(O)(Cc2ccccn2)CC1	912439095	PEIWCHZNEBHYSH-YPKPFQOOSA-N	315.373	1.422	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CC(C)(C)[C@@H]2COC[C@@H]21	836192857	QJNHZZSEXOCURX-KGLIPLIRSA-N	317.389	1.706	50	20	DDGD	
CNS(=O)(=O)c1cccc(C(C)=NNC(=O)NC(C)C)c1	745009393	OHTWBBPQKZUXMB-UHFFFAOYSA-N	312.395	1.026	50	20	DDGD	
CC(=O)Nc1nc(C(=O)NNc2ccc(Cl)nc2)cs1	743818106	LZQVVBJBWFPSIW-UHFFFAOYSA-N	311.754	1.907	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)CNc2ccc(C)cc2)o1	915936777	AJYDQPDDEJXOLE-UHFFFAOYSA-N	315.329	1.937	50	20	DDGD	
O=C(NNC(=O)c1cc2c(nc1O)CCC2)NC1CCCC1	744053351	YWJFWKXIWFBZNG-UHFFFAOYSA-N	304.350	1.163	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)c1ccco1	741515106	SAFQERXABNWVGE-YGRLFVJLSA-N	316.313	1.371	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cccc2nonc12	847518927	WVNFTNQOEJVVDN-UHFFFAOYSA-N	312.376	1.289	50	20	DDGD	
Cc1c(C(=O)NN(C)C[C@@H](C)O)cnn1-c1ccc(F)cc1	910174804	XHSGFVPHQIIGAE-SNVBAGLBSA-N	306.341	1.277	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21)c1nc2ccccc2s1	913818277	VVTSAXXVRPPUDW-NZXMKCKXSA-N	315.354	1.282	50	20	DDGD	
Cc1cc(Br)ccc1CC(=O)NN(C)C[C@H](C)O	910152612	QUFIRXZAGRFDJX-JTQLQIEISA-N	315.211	1.644	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1ccc(C#N)s1	748779747	CVLUUUDJXFVODO-LLVKDONJSA-N	306.391	1.038	50	20	DDGD	
O=C(CC[C@H]1CCCO1)NNC(=O)c1cccc2cccnc12	747425553	KDQBCYYZSULYJM-CYBMUJFWSA-N	313.357	1.955	50	20	DDGD	
CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)[C@H](C)c1ccccc1	746371097	USNDUEACMQZRJA-JQWIXIFHSA-N	311.407	1.220	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)N[C@@H](C)CCCN)cc1	841999823	OWVVXXNFDXSWJN-LBPRGKRZSA-N	324.450	1.545	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H]1CCO[C@@H]1C)c1cccs1	843276675	GMVZBIWJDWARID-AEJSXWLSSA-N	313.448	1.729	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNC(=O)Nc1ccc(N(C)C)cc1	742024869	CATFQNIVXQRCJG-ZHACJKMWSA-N	317.349	1.349	50	20	DDGD	
CC(C)[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1ncccn1	841350305	JHLHGENDXNLEBM-CQSZACIVSA-N	312.373	1.753	50	20	DDGD	
COc1cccc(CNC(=O)NNc2ncccn2)c1OC	918233640	KASNJKXUDQWGRW-UHFFFAOYSA-N	303.322	1.320	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNc2ccnc(N(C)C)n2)cc1	740016003	IDYSEMTULOUUDR-UHFFFAOYSA-N	314.349	1.894	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)c2cccc3ccccc23)CN1	741581979	NKTBQDPEDWVUMH-GFCCVEGCSA-N	311.341	1.127	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)N[C@H](C)CCN	841966471	CZLXEADOIPFWNL-MRVPVSSYSA-N	314.773	1.030	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=CC1CCOCC1	841643569	LZPTWCMNQFWPCQ-CYBMUJFWSA-N	323.393	1.432	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@@H]2CS[C@@H](C)C2)c1	840416061	JEPJNORZGGFUSQ-RYUDHWBXSA-N	323.418	1.598	50	20	DDGD	
C[C@@H]1C[C@@H](CNC(=O)NNC(=O)c2ccccc2F)[C@@H](C)O1	840434157	NQZWOLOGDFHTSU-MXWKQRLJSA-N	309.341	1.583	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@@H]1C[C@]12CCCNC2	848396941	YGTKGGCJRSVJRH-XPTSAGLGSA-N	303.391	1.524	50	20	DDGD	
CCC(=NNC(=O)COCc1ccccc1)c1cnn(C)c1	741809481	KBXDVDVIOHYXPF-UHFFFAOYSA-N	300.362	1.867	50	20	DDGD	
C=CCN1C(=O)C(=NNC(=O)[C@@H]2CCO[C@@H]2C)c2ccccc21	842553272	DRVJPJIUKMTTDC-VXGBXAGGSA-N	313.357	1.465	50	20	DDGD	
CC(C)(N)CNC(=O)NNC(=O)Cc1cccc2ccccc12	841950004	IUGXARDELJOGQR-UHFFFAOYSA-N	314.389	1.450	50	20	DDGD	
CSCC(=NNC(=O)C(=O)N1CCCC1)c1ccccc1	749446667	GYRVPZXVUDZTAE-UHFFFAOYSA-N	305.403	1.492	50	20	DDGD	
Cc1nc(Cl)sc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843652109	HVCISJUJTYDYAN-RNFRBKRXSA-N	303.771	1.291	50	20	DDGD	
CO[C@@H](CC(=O)NNC(=O)c1ccccc1C)C(F)(F)F	845097636	VHCWQZYYFCGUIA-JTQLQIEISA-N	304.268	1.723	50	20	DDGD	
CC1(C)CC[C@@H]1NCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	846962247	VLFSTZYYBCGZNF-LBPRGKRZSA-N	320.349	1.134	50	20	DDGD	
CO[C@@]1(C=NNC(=O)[C@@H](C)CN2CCCCCC2)CCOC1	841614721	QFEQPOMMRGGBTO-GOEBONIOSA-N	311.426	1.406	50	20	DDGD	
COC1([C@@H](C)NC(=O)NNC(=O)c2ccccc2F)CCC1	840454412	YIWNMFLCCDYEKI-SNVBAGLBSA-N	309.341	1.727	50	20	DDGD	
CN1C(=O)CC[C@H]1C(=O)NNc1ccc(C(F)(F)F)cc1	752631255	CZOSVQLUXXUCNQ-JTQLQIEISA-N	301.268	1.769	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCOc2c(F)cc(F)cc21	920371520	SSOLWFYMECVGIM-UHFFFAOYSA-N	323.299	1.190	50	20	DDGD	
CN(C)c1ncc(CNC[C@@]2(C)C[C@H]2Br)n1C	856810238	WLHKMEDWDHNVPL-ZYHUDNBSSA-N	301.232	1.749	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](CC(=O)OCC)C(F)(F)F	855515715	HFNVXGTUSWOTRH-FUOZMLNRSA-N	308.256	1.431	50	20	DDGD	
NC(=O)c1ccc(CNC(=O)NNc2ccc(Cl)nc2)o1	753023407	WAMNUNIVOSLHST-UHFFFAOYSA-N	309.713	1.253	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1cnn(CCC(C)C)c1C(C)C	753840190	PXCGWCAYLPBVIA-UHFFFAOYSA-N	323.397	1.158	50	20	DDGD	
CNC(=O)NN=C(C)c1ccc(OC)c(CN2CCCC2)c1	920377245	QOWUDPJJCTXEQK-UHFFFAOYSA-N	304.394	1.944	50	20	DDGD	
CC(C)(C)OC(=O)[C@@H](C(=O)NNc1ccncn1)C(C)(C)C	854746479	BBXMOIWHDGLZOO-LLVKDONJSA-N	308.382	1.924	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)C(C1CC1)C1CC1	855831869	KNSFTAPXPMCMDG-UHFFFAOYSA-N	323.437	1.513	50	20	DDGD	
C[C@]1(CNC(=O)CCOC[C@H]2CCCO2)C[C@H]1Br	857397093	DBSIODAYGISOGF-NQBHXWOUSA-N	320.227	1.862	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2ccc(F)c(F)c2F)CC1	853337193	DNFGHWQTYOMLLZ-UHFFFAOYSA-N	300.284	1.395	50	20	DDGD	
O=C(/C=C/c1ccc(Cl)nc1)NNC(=O)CC(F)(F)F	759771370	FZXUPAZZPXKTKE-DUXPYHPUSA-N	307.659	1.848	50	20	DDGD	
COC(=O)c1cc(C(=O)NNC(=O)c2ccccc2F)ccn1	751189245	SQBWQBHAQOLBOT-UHFFFAOYSA-N	317.276	1.082	50	20	DDGD	
COC[C@H](OC)C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	854781819	LGFZUJGPIFUNHF-JTQLQIEISA-N	303.702	1.353	50	20	DDGD	
Cc1cc(F)cc(C(=O)NNC(=O)NC2CCCC2)c1[N+](=O)[O-]	758460335	KECSRIFHGWKEMG-UHFFFAOYSA-N	324.312	1.929	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)c2ccc(C#N)cc2)[C@H]1C	858918252	DRMGEUQZVZMEEY-KZWBYHQPSA-N	301.346	1.379	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccc(C)nc2)c(O)c1	757732971	KRCMBQUZZGTGIF-UHFFFAOYSA-N	300.318	1.871	50	20	DDGD	
CSC(C)(C)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	854223883	JJPFIUUUGGFDCG-SECBINFHSA-N	314.382	1.882	50	20	DDGD	
CCC(C#N)(CC)C(=O)NNC(=O)c1ccc(OC)c(OC)c1	858122818	JSLHEENZTFQWNA-UHFFFAOYSA-N	319.361	1.795	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CCN3CC[C@H]2C3)cc(C#N)n1C	854727509	GZKJKHSFOCBIEA-LULHVWEPSA-N	309.373	1.029	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)c2cc[nH]n2)[C@H]1Oc1ccccc1	853392745	SYUCUVKKTWBQLA-HUUCEWRRSA-N	314.345	1.752	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)C[C@@H]2CCC(=O)N2)cc1	854206920	ILBFYXGEMKWULJ-ZDUSSCGKSA-N	317.389	1.414	50	20	DDGD	
CC(C)CNC(=O)COC(=O)/C(C#N)=C\c1ccc(O)cc1	750664815	YBNNVVXLUDIJED-QPEQYQDCSA-N	302.330	1.615	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@@H](CC(N)=O)C2)C[C@@H]1Br	856898070	WKQYSFVSAYQMJP-HOTUBEGUSA-N	318.215	1.067	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1CNC(=O)NNC(=O)c1cccc(F)n1	852365744	DJRZDJUANXBHAY-GHMZBOCLSA-N	308.357	1.991	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@H](N(C)c2ccccc2)C1	852653817	BAQLUUYGZJWYSY-HNNXBMFYSA-N	318.421	1.001	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@@H]2CCC(=O)NC2)c1C	855624114	BMNRALAZVQNLBC-NSHDSACASA-N	319.361	1.141	50	20	DDGD	
C#CCN(CC(=O)NCCCSC#N)C(=O)OC(C)(C)C	854363867	QEXTUHMQUATDBG-UHFFFAOYSA-N	311.407	1.577	50	20	DDGD	
CCC(O)(CC)CCNC(=O)NNc1ncc(Cl)cn1	856887145	RMAPUDZXMYNJLA-UHFFFAOYSA-N	301.778	1.697	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1scnc1C1CC1	757801161	SWVFBYJQJYVSDI-UHFFFAOYSA-N	305.363	1.826	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C[C@H](C)COC)cc1OC	755052764	WHHSAQVQMHLQTI-NSHDSACASA-N	324.377	1.528	50	20	DDGD	
C[C@@H](C=NNC(=O)CS(C)(=O)=O)c1cc(F)cc(F)c1	863186473	YWLSXOPBHZAVJK-QMMMGPOBSA-N	304.318	1.215	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(-c2cnc[nH]2)cc1	865014576	IMZOQKSDFCFHJX-UHFFFAOYSA-N	301.350	1.821	50	20	DDGD	
O=C(NCC1CC1)NN=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	766012960	LUJHSYVYNBZDCG-UHFFFAOYSA-N	307.266	1.546	50	20	DDGD	
CCOCC(=O)NNC(=O)NC1CC(OCc2ccccc2)C1	768445880	ABRQQRSTWCVNBH-UHFFFAOYSA-N	321.377	1.101	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NN[C@@H](C)C(F)(F)F)C1	862312386	KYGKNGSETUKQGA-DCAQKATOSA-N	323.359	1.843	50	20	DDGD	
Cc1nnc(-c2cccc(NCc3cccc(B(O)O)c3)c2)n1C	864031163	XFRCBCHZQJPYBF-UHFFFAOYSA-N	322.177	1.082	50	20	DDGD	
O=C1NCC[C@]1(C(=O)NNc1ccccc1F)C1CCCC1	860313861	RRSVDRIGGNADHC-INIZCTEOSA-N	305.353	1.965	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cccc2cc(O)ccc12	865016845	WJWAODIPSHIAQL-UHFFFAOYSA-N	317.345	1.526	50	20	DDGD	
CNc1c(C(=O)NNc2nccnc2OC)cccc1[N+](=O)[O-]	765865347	HGWGVHPNCAALRR-UHFFFAOYSA-N	318.293	1.192	50	20	DDGD	
COCC(=O)NN=Cc1ccc(OCC(F)(F)F)c(OC)c1	761823664	GTTVVQBGKRVTKG-UHFFFAOYSA-N	320.267	1.733	50	20	DDGD	
Cc1ccc2[nH]c3c(c2c1)CC(=NNC(=O)[C@@H]1CCC(=O)N1)CC3	863148229	WWRUXTBJEACUEW-INIZCTEOSA-N	324.384	1.716	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCCOCC(F)(F)F	866455411	LHZNOOYZQJDYOX-UHFFFAOYSA-N	311.753	1.750	50	20	DDGD	
C[C@@H](NNC(=O)c1cn(C)nc1-c1ccncc1)C(F)(F)F	862308270	BDFOHSKAMALJCP-MRVPVSSYSA-N	313.283	1.667	50	20	DDGD	
CC(=O)OC1CCN(S(=O)(=O)CC(C)(C)CCl)CC1	867004802	IGJLTVIWUKBWLP-UHFFFAOYSA-N	311.831	1.609	50	20	DDGD	
COC(=O)CCCC(=O)NNC(=O)CSc1ccc(C)cc1	764448971	ALRKVSNAWWQMQR-UHFFFAOYSA-N	324.402	1.578	50	20	DDGD	
CCC(CC)N1C[C@@H](C(=O)NN[C@@H](C)C(F)(F)F)CC1=O	862309775	OTMHOGMIDDGYCN-IUCAKERBSA-N	309.332	1.595	50	20	DDGD	
C[C@@H](NNC(=O)c1cn(C)nc1-c1cccnc1)C(F)(F)F	862309673	SNRFKLAQFZBRDO-MRVPVSSYSA-N	313.283	1.667	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1cc(F)c(F)cc1Cl	763817574	PBYGNMPJPFVBOY-UHFFFAOYSA-N	319.695	1.360	50	20	DDGD	
COC(=O)c1coc(/C=C/C(=O)NN(C)C(=O)OC(C)(C)C)c1	868857389	NSFAAFUDRAIFDN-VOTSOKGWSA-N	324.333	1.978	50	20	DDGD	
OB(O)c1ccc(CNc2ccc(N3CCCCC3)cc2)cc1	863890954	VDXLOKBQQVSSNP-UHFFFAOYSA-N	310.206	1.969	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNc1ccccc1Br	866868248	KMZBFSHRAWKHED-SNVBAGLBSA-N	314.183	1.807	50	20	DDGD	
O=C(CNc1ccccc1)NN=Cc1ccc(-n2cncn2)cc1	863951585	MAYRXEFMIRZAKF-UHFFFAOYSA-N	320.356	1.830	50	20	DDGD	
COc1nccnc1NNC(=O)CCNC(=O)C1CCCCC1	764469778	ICTYDIKZOOFCQE-UHFFFAOYSA-N	321.381	1.015	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNc1cncc(Br)c1	1116389954	SPRWDPOCGDAUJF-NSHDSACASA-N	302.172	1.838	50	20	DDGD	
CN=[S@@](C)(=O)c1cccc(NC(=O)NNC(=O)C(C)C)c1	879836240	HXMHGWGKSJVJFJ-NRFANRHFSA-N	312.395	1.582	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1n[nH]c2c1CCCC2)N(CC)CC	1116179293	LVEZIIMGVPQQLO-CYBMUJFWSA-N	321.425	1.170	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cnc([C@H](C)O)s1	773713736	YDMPJINXHFXWBQ-VIFPVBQESA-N	305.359	1.580	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc(C)c(C(N)=O)c2)n1	775592273	KMJJBEMGKTUDDK-UHFFFAOYSA-N	316.321	1.041	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cccc(C(=O)NC2CC2)c1	770333204	AHJMUKYUPSLVJR-UHFFFAOYSA-N	304.350	1.388	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNc1ccnc(Br)c1	771538020	TXJSDTKTGDIXSM-NSHDSACASA-N	302.172	1.838	50	20	DDGD	
Cc1nnc2n1C[C@H](C(=O)NNc1cc(Cl)ccn1)CC2	778447434	USJOXJFXIPSIQV-SECBINFHSA-N	306.757	1.341	50	20	DDGD	
CN1CCCC[C@H](C(=O)NNC(=O)CCc2ccccc2)C1=O	874265602	YAIDLFQHKRALDF-CQSZACIVSA-N	317.389	1.025	50	20	DDGD	
CCOc1cnc(C(=O)NNC(=O)Nc2ccccc2C)cn1	777774118	VZWLWQTYPPVUNO-UHFFFAOYSA-N	315.333	1.650	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@H](F)Cc1ccccc1	777998600	BWQZPUODPIRRHF-LLVKDONJSA-N	315.439	1.426	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1nn(-c2ccccc2)cc1C	771273954	QTHRHUXROMRJFF-UHFFFAOYSA-N	315.377	1.925	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N1CC[C@H](CF)C1	883416563	YBKTZVJRQMCCBO-LLVKDONJSA-N	319.340	1.289	50	20	DDGD	
C=C/C=C\CCNC(=O)NNC(=O)COc1cccc(C)c1	883416030	KCUDMCLINAUPFA-PLNGDYQASA-N	303.362	1.837	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)c2cc(Cl)ccc2O)o1	773916972	BNTUNZKXTWIEMW-UHFFFAOYSA-N	322.704	1.916	50	20	DDGD	
O=C(NNc1cccnn1)N[C@H]1COc2c(F)cc(F)cc2C1	1123741960	FKWCNJFPXOLSPS-SNVBAGLBSA-N	321.287	1.385	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCC[C@@H](CF)C1	883483315	AYEXMBBBTUFTIT-NSHDSACASA-N	309.341	1.731	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)NC[C@@H]2C=CCC2)c1	883838783	DZERLEGNINEHMW-LLVKDONJSA-N	309.391	1.682	50	20	DDGD	
C[C@H]1Cc2cc(NC(=O)C(=O)NNC(=O)C(C)(C)C)ccc2O1	1120938503	PXWZYCATPIYDFO-VIFPVBQESA-N	319.361	1.142	50	20	DDGD	
CN(CC(=O)NNc1ncncc1Cl)[C@@H]1CCSC1	781829873	MPAYXRYVYNHTFQ-MRVPVSSYSA-N	301.803	1.010	50	20	DDGD	
Cc1cc2c(cc1C)[C@@H](C(=O)NNC(=O)C1CCOCC1)CO2	883068445	VLIIMRBKRUDYDU-AWEZNQCLSA-N	318.373	1.353	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21)c1ccc2ccccc2n1	780325850	SMXCUADFKLUFBC-KCPJHIHWSA-N	311.341	1.421	50	20	DDGD	
C=CCCN(C)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	786122403	RSORCWGMEMKXGG-UHFFFAOYSA-N	313.361	1.735	50	20	DDGD	
O=S(=O)(CBr)NCCc1ccc(F)cc1F	782438057	RVKHEKHOLZINCW-UHFFFAOYSA-N	314.151	1.779	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNC(=O)c1ccc(Cl)cc1O	784772293	HBKRUKXYNKKQCN-UHFFFAOYSA-N	307.737	1.767	50	20	DDGD	
C#CCOCCNC(=O)NNC(=O)[C@H](CC)c1ccccc1	784544725	KHOPROCILWGIMC-CQSZACIVSA-N	303.362	1.160	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(F)cc(F)c1OC	785860466	DPRHQYLPQKHWHD-UHFFFAOYSA-N	302.281	1.671	50	20	DDGD	
COc1cccc(NNC(=O)C[C@H]2OC(=O)c3ccccc32)n1	780770755	RQLRNFOLTYAKOU-GFCCVEGCSA-N	313.313	1.835	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCC[C@](C)(C#N)C2)cc1	784455419	UTIQUZILTFMIQQ-QGZVFWFLSA-N	314.389	1.382	50	20	DDGD	
CC(C)[C@H]1C[C@H](C(=O)NNC(=O)c2ccccc2O)CCO1	891808140	DHXABLBSQPNLSC-BXUZGUMPSA-N	306.362	1.604	50	20	DDGD	
COC(=O)COc1ccccc1/C=C(\C#N)C(=O)NC(C)C	899338612	QFAWCAXMZOPCGK-MDWZMJQESA-N	302.330	1.670	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCC(C)(C)O)cc1C	786635814	DVNGGMYCTVTCRY-UHFFFAOYSA-N	308.378	1.381	50	20	DDGD	
COc1ccc(OCC(=O)NN=CCC2CCOCC2)cc1	788699765	LCEVVCYELNAISO-UHFFFAOYSA-N	306.362	1.993	50	20	DDGD	
COc1ccc(NNC(=O)c2cccc(OC)c2OC)nc1	781526573	IAOZMBBUXWGYEP-UHFFFAOYSA-N	303.318	1.864	50	20	DDGD	
CC(C)(C)n1nccc1NC(=O)C(=O)NNc1ccnc(F)c1	784846882	IHWPJPQRBBWDIV-UHFFFAOYSA-N	320.328	1.254	50	20	DDGD	
C[C@H]1CCCN1CCNC(=O)NNC(=O)c1cccc(Cl)c1	897473953	ISZYAHFEMHIFGV-NSHDSACASA-N	324.812	1.768	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1cc(C)nn1C	789038654	ZZRJUBFUKPNPQP-UHFFFAOYSA-N	309.370	1.093	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)Cn1ccc2ccccc21	793438969	HPXQAUYHNSDUSN-BLLLJJGKSA-N	317.389	1.850	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)n1	793788971	JTVOMVFAAGEULG-SWUJRRRYSA-N	311.385	1.927	50	20	DDGD	
O=C(CCCC1CCOCC1)NNC(=O)NCC(F)(F)F	798314631	UHGGDHNDRFKNON-UHFFFAOYSA-N	311.304	1.476	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)c2cccn2C)[C@H](n2cncn2)C1	794489275	ZYRGECQEGKTHKK-BXUZGUMPSA-N	300.366	1.764	50	20	DDGD	
CCn1ccc(CN(C)CC(=O)NNC(=O)c2cccs2)c1	792312908	GYBDPIYDPLHJLH-UHFFFAOYSA-N	320.418	1.463	50	20	DDGD	
C[C@@H]1CCC[C@@H]1CNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	798511364	MINCZKDLWRDBGS-ZYHUDNBSSA-N	320.349	1.975	50	20	DDGD	
COC1(C=NNC(=O)COc2ccccc2C#N)CCCC1	790146284	RMYUHRBOBLWGKR-UHFFFAOYSA-N	301.346	1.998	50	20	DDGD	
C=C(CBr)COC(=O)C1CCS(=O)(=O)CC1	795511837	IPIPISYDTQDHKP-UHFFFAOYSA-N	311.197	1.306	50	20	DDGD	
CC(C)c1ncc(NC(=O)C(=O)NNc2ccc(C#N)cc2)cn1	797020344	LVSWZDKZFFGEIK-UHFFFAOYSA-N	324.344	1.553	50	20	DDGD	
C[C@H](C(=O)NNC(=O)NC1CCCC1)N(C)CC(F)(F)F	793256611	XZLLJYBCBSUYAS-MRVPVSSYSA-N	310.320	1.142	50	20	DDGD	
C[S@](=O)c1ccc(CC(=O)NNc2ccnc(F)c2)cc1	797976933	BVGYNTJPIXVIBX-NRFANRHFSA-N	307.350	1.644	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42	794993956	GPJAISGJAXSRBC-HLWQCTIYSA-N	314.307	1.480	50	20	DDGD	
Cc1cc(NNC(=O)c2cccc(N3CCNC3=O)c2)ncn1	1318565103	XCEDBLDDZPCYCC-UHFFFAOYSA-N	312.333	1.072	50	20	DDGD	
CC1(CNC(=O)NNC(=O)c2cncn2-c2ccccc2)CC1	1319009998	UWMUWRYCQJRASB-UHFFFAOYSA-N	313.361	1.616	50	20	DDGD	
O=C(C[C@@H]1CCS(=O)(=O)C1)NNc1ccc(Cl)nc1	1318785212	SYWGBKBCVVYCKY-QMMMGPOBSA-N	303.771	1.003	50	20	DDGD	
CC(C)(CS(C)(=O)=O)NC(=O)c1cccc(CCl)c1	391588274	NCDAFWCYWPIUAB-UHFFFAOYSA-N	303.811	1.978	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1ncc(Cl)s1	1324957086	PBZBDJBIPBUXDJ-UHFFFAOYSA-N	313.741	1.939	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H](CC(C)C)c1ccccc1C	1323455971	RQMCZOQTLHTYAY-ZDUSSCGKSA-N	321.377	1.586	50	20	DDGD	
C=C[C@@](C)(CCOC)C(=O)NNC(=O)COc1ccc(F)cc1	1324343346	CQWQOUBUDYVSNN-INIZCTEOSA-N	324.352	1.581	50	20	DDGD	
O=C(NNc1ccc(-c2ccccc2)nn1)[C@@]1(F)CCOC1	1322966247	CZEFLKHPDUFWPT-OAHLLOKOSA-N	302.309	1.715	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2ccc(Cl)nc2)on1	1326235102	VLJXBSVTCXWJEV-UHFFFAOYSA-N	308.681	1.274	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Nc2nocc2C)c1O	1321034776	FQQLRVFVRDIDFM-UHFFFAOYSA-N	306.278	1.164	50	20	DDGD	
Cc1ccc(C)c2c1OCCC2=NNC(=O)[C@H]1CCC(=O)N1	1329192116	SLGCHRMIVUCASD-GFCCVEGCSA-N	301.346	1.185	50	20	DDGD	
O=C(c1cccc(CCl)c1)N1CCC(c2nn[nH]n2)CC1	1336064474	NWHKLBPBFXSMEM-UHFFFAOYSA-N	305.769	1.958	50	20	DDGD	
C[C@H]1COC[C@H]1NS(=O)(=O)c1ccc(CCCl)cc1	699460932	CJGCSOVXOZOWIH-GXFFZTMASA-N	303.811	1.781	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)CC1(C#N)CCCCC1	1330953643	CJBAMZCIGZJHNJ-UHFFFAOYSA-N	322.409	1.303	50	20	DDGD	
Cc1c(C#N)cccc1C(=O)NNC(=O)NCC(F)(F)F	1340050054	HWNQZSBDKAUNBX-UHFFFAOYSA-N	300.240	1.373	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCCCC1)c1ccnc(C)n1	1343643819	UQWMCKDUZRNIRG-LBPRGKRZSA-N	303.410	1.747	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2n[nH]cc2C(F)(F)F)c1	1602448598	UKHKKPXPZQSGKJ-UHFFFAOYSA-N	314.223	1.884	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)[C@H]2Cc3cccnc3C2)cc1	1608780352	GHCLUNFVDVAHAI-ZDUSSCGKSA-N	311.341	1.567	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2ccc(CO)c(F)c2)cc1	1602129320	YTFUSJMJKWLHSK-UHFFFAOYSA-N	318.304	1.702	50	20	DDGD	
O=C(/C=C\c1cc(C(=O)O)co1)NNC(=O)NCc1ccco1	1601232329	DRACYPFLDGCYQA-ARJAWSKDSA-N	319.273	1.115	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2c(O)cccc2O)c(F)c1	1608904001	DAOOVOFDLVQXNG-UHFFFAOYSA-N	306.249	1.692	50	20	DDGD	
O=C(NCCC[C@@H]1CCCN1)NNc1cccc(C(=O)O)c1F	1601495595	HFOFAUAZNBXKRZ-JTQLQIEISA-N	324.356	1.682	50	20	DDGD	
Cc1ccc(NNC(=O)c2cnc3[nH]cnc3c2)cc1C(=O)O	1600461171	BJLSGAGSJKYIDQ-UHFFFAOYSA-N	311.301	1.721	50	20	DDGD	
N#Cc1ccc([C@@H](O)C(=O)NNc2cccc(C(=O)O)c2)cc1	1601096451	DXNUJONANBIGNU-CQSZACIVSA-N	311.297	1.433	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC2(CC(=O)O)CCCC2)cn1	1600947066	QHMGWLPBPAEVFK-SDQBBNPISA-N	302.334	1.231	50	20	DDGD	
O=C(O)c1cc(C(=O)NN=c2cc[nH]cc2)n(-c2ccccc2)n1	1610810229	XXHYBAIOIGQPBH-UHFFFAOYSA-N	323.312	1.144	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1scnc1C	1549315985	DJPKCQVNMKXUOC-RYUDHWBXSA-N	308.407	1.155	50	20	DDGD	
O=C(NN=Cc1ccnc2ccccc12)[C@H]1CN2CCC[C@@H]2CO1	1549315019	ALWBULGSYIUELT-RHSMWYFYSA-N	324.384	1.548	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@@H]1C=NNC(=O)c1cccnc1	1552757338	CTDDKIUNQGJNAK-OCCSQVGLSA-N	313.361	1.791	50	20	DDGD	
CC(C)(C)c1coc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)n1	1550354911	XOVVRGKBNVQJPW-RYUDHWBXSA-N	320.393	1.285	50	20	DDGD	
C[C@]1(C(=O)NCc2ccc(CCN)cc2)C[C@H]1Br	1576350475	PGEPLNQHZCCQQY-OCCSQVGLSA-N	311.223	1.978	50	20	DDGD	
NCC[C@@H](NC(=O)NNc1ccc([N+](=O)[O-])cc1)C(F)F	1580282882	GNSCLYXYBZHPJI-SECBINFHSA-N	303.269	1.203	50	20	DDGD	
Cc1ncc(C(=O)N2CCCC23CN(C(=O)[C@H](F)Cl)C3)[nH]1	1841714508	SAYNBMXRTYQPAC-JTQLQIEISA-N	314.748	1.070	50	20	DDGD	
C=C(CBr)CN1C[C@H](C(=O)O)CC[C@H]1C(=O)OC	1588605165	AURAGIITKOXBDO-ZJUUUORDSA-N	320.183	1.276	50	20	DDGD	
CCOc1cnc(C(=O)NNc2ccc(C(=O)O)c(F)c2)cn1	1597185555	AEQAUYCTNWQMAU-UHFFFAOYSA-N	320.280	1.470	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)CCc1ncccn1	1599377059	JASRWEOGOFAKIX-UHFFFAOYSA-N	316.317	1.259	50	20	DDGD	
CCC[C@@H](NC(=O)NNC(=O)C(=O)O)c1ccc(F)cc1F	1595599688	FAXQPDBRJXVWAD-SNVBAGLBSA-N	315.276	1.221	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(C(=O)O)cc1F)[C@@H]1CCCNC1	1593101567	HIXOXRUPZDRDSU-MWLCHTKSSA-N	324.356	1.538	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@H]2CCCO2)ccc1C(=O)O	1594322749	AWTMWTWPMYXLRX-LLVKDONJSA-N	307.306	1.025	50	20	DDGD	
CC1(C)OCC(C)(C(=O)NNc2ccc(CC(=O)O)cc2)CO1	1593972098	IBLFRENJMQUSAP-UHFFFAOYSA-N	322.361	1.546	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCC[C@@H](CCCC(=O)O)C1	1598864804	PLLISNRKSJOERN-JTQLQIEISA-N	313.354	1.260	50	20	DDGD	
O=C(NN=Cc1ccc2oc(C(=O)O)cc2c1)c1ccnnc1	1776081146	AVPXPMATTWTNMZ-UHFFFAOYSA-N	310.269	1.685	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(OC)cc1Br	158847674	BVDAOZKATICSBD-UHFFFAOYSA-N	303.112	1.459	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)N1C[C@@H]2CCC[C@H]2C1	158946618	JLOVMAJXAXUYGP-KBPBESRZSA-N	317.389	1.928	50	20	DDGD	
N#CCCn1ccc(NC(=O)NNc2ccccc2[N+](=O)[O-])n1	160573104	RVCCLOKRIARAHB-UHFFFAOYSA-N	315.293	1.854	50	20	DDGD	
CCN1CCN(CCC(=O)NNc2cccc([N+](=O)[O-])c2)CC1	151608731	HNAYNEWCVDRTRY-UHFFFAOYSA-N	321.381	1.066	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)Nn1cnc2ccccc21	155603708	RMJOIEMPRZTAFO-UHFFFAOYSA-N	323.356	1.953	50	20	DDGD	
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NNc1ncc(F)cn1	157762874	JHMKCXVMXNQIOD-UHFFFAOYSA-N	320.284	1.347	50	20	DDGD	
C[C@H](C(=O)NNc1cccc([N+](=O)[O-])c1)N1CCSCC1	154143593	PMVIJAHWVQFSTH-SNVBAGLBSA-N	310.379	1.475	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(CNC(C)=O)cc2)nc1	159285116	VPEMYQAPLMEPGC-UHFFFAOYSA-N	314.345	1.483	50	20	DDGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CC[C@@](F)(CO)C1	801714529	BWMDYHHYPJTGSS-ZDUSSCGKSA-N	321.801	1.563	50	20	DDGD	
COc1cccc2c1OCC(C(=O)NNc1cc(C)ncn1)=C2	175750535	RZXANWANBPOWEP-UHFFFAOYSA-N	312.329	1.713	50	20	DDGD	
CN(C)C(=O)CNC(=O)NNc1ccc(OC(F)F)cc1	102549086	OVQXPFYJJNNNEW-UHFFFAOYSA-N	302.281	1.002	50	20	DDGD	
O=C(CCOc1ccccc1F)NNC(=O)Cc1ccncc1	176773209	OXDYRPJFNVHHTD-UHFFFAOYSA-N	317.320	1.380	50	20	DDGD	
O=C(CCn1ccccc1=O)NNc1ccc(F)c(F)c1F	103275455	YTWBGWXKYILBHJ-UHFFFAOYSA-N	311.263	1.799	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)Cn1ccc2ccccc21	104631712	GVDKZDOYPAXSTQ-UHFFFAOYSA-N	314.370	1.867	50	20	DDGD	
CC(C)OCC(=O)NNC(=O)Cc1ccc2ccccc2c1	63692067	COXAOACXDIUUHH-UHFFFAOYSA-N	300.358	1.955	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1ccnc2ccccc12	173935832	CIXICNIXANHVJF-UHFFFAOYSA-N	305.301	1.658	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2c(Cl)nc3ccccn23)o1	176217597	UIJSMZWXVPTEIA-UHFFFAOYSA-N	318.720	1.964	50	20	DDGD	
COc1ccc2c(c1)OC[C@H](C(=O)NNc1cnccn1)C2	114879042	SPCLXHNMZWCXQN-LLVKDONJSA-N	300.318	1.180	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)cn1	69096222	DFFMBHJWCHJHHG-UHFFFAOYSA-N	314.345	1.242	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)NCCc1cccs1	128992615	WVFPVQAZEUWOBN-SNVBAGLBSA-N	301.437	1.763	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)C(C)(Cl)Cl)c1	182345179	JNGQRGJXISVWQJ-UHFFFAOYSA-N	304.177	1.707	50	20	DDGD	
COc1ccc(C(=O)NNc2cc(C)nc(C)n2)cc1[N+](=O)[O-]	128957411	JGJSWGSAPAFGLG-UHFFFAOYSA-N	317.305	1.767	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1cc(Cl)c[nH]1	72846507	DGVDXQUNTGRMDR-UHFFFAOYSA-N	307.737	1.646	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1ccc(-n2cccn2)cc1	183507833	OESFMKJSVHDNGC-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
CCc1ncc(NC(=O)C(=O)NNc2ccc(F)cc2C)cn1	189180132	YCIBHAFCXLXRFH-UHFFFAOYSA-N	317.324	1.568	50	20	DDGD	
CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NNc1cncc(Cl)n1	120857559	QRWNJTWQCNJUSN-ONOSFVFSSA-N	311.773	1.570	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1cc(Cl)c[nH]1	76453605	GBZODMDZUWOISC-UHFFFAOYSA-N	304.697	1.870	50	20	DDGD	
CO[C@@H](C)CCC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	180808462	UODZLQUDFCVYFH-WDEREUQCSA-N	312.341	1.556	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ccc(Cl)cc2)nn1C	131147639	ARRWPSUVNGRACV-UHFFFAOYSA-N	307.741	1.464	50	20	DDGD	
CCOc1cccc2c1OCC(C(=O)NNc1cnccn1)=C2	86332820	NOVRFAORMFWMFC-UHFFFAOYSA-N	312.329	1.794	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)c2ccc(C)o2)c1	84284882	XEHKFSJBHMTYNX-UHFFFAOYSA-N	302.330	1.990	50	20	DDGD	
COc1cccc([C@@H](C)C(=O)NNC(=O)c2ccccc2O)c1	193604406	JYSDMKFWTNTVKA-LLVKDONJSA-N	314.341	1.966	50	20	DDGD	
CCCC[C@@H](NC(N)=O)C(=O)NNc1cc(F)cc(OC)c1	130983578	ZGEVCRBZDSVFJT-GFCCVEGCSA-N	312.345	1.505	50	20	DDGD	
COC(=O)[C@@H]1CCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	194146138	SDYNLBDHRQKNEH-UQTJOTSZSA-N	300.314	1.463	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)Nc1cccnc1	83056615	NNWXPTPIUIIJKK-UHFFFAOYSA-N	310.317	1.125	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)cc1)NNC(=O)CC1CCCC1	195216767	RYHLDKRPHGQOGW-UHFFFAOYSA-N	321.352	1.283	50	20	DDGD	
CN(CCCn1ccnc1)C(=O)NNC(=O)c1ccccc1	136974335	HLCWJSMNUMPJJQ-UHFFFAOYSA-N	301.350	1.260	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ncccc1C(F)(F)F	92369146	LVFOQMFQYRMBDJ-UHFFFAOYSA-N	324.262	1.499	50	20	DDGD	
O=C(NNC(=O)c1ncccc1C(F)(F)F)c1cccnc1	92199238	ZERQQGDLDBTPTR-UHFFFAOYSA-N	310.235	1.570	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@H]1CCc2cc(F)ccc21	98033207	VGSGXZXDYKFWLD-LBPRGKRZSA-N	302.309	1.785	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccncc2)cc(OC)c1O	254791502	LRNMBYVKRNMSMH-UHFFFAOYSA-N	301.302	1.568	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NC1CC1)c1ccc([N+](=O)[O-])cc1	265774745	IZDMPVPNCCSURV-UHFFFAOYSA-N	306.322	1.365	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCCNC(=O)c1occc1C	269479386	OFRULRMCLVFWDB-ZRDIBKRKSA-N	305.334	1.268	50	20	DDGD	
NC(=O)c1ccc(/C=C/C(=O)NNC(=O)NC2CCCC2)cc1	267017624	OTOYLBLPTZLHFQ-JXMROGBWSA-N	316.361	1.072	50	20	DDGD	
C[C@@H]1CC[C@H](CC(=O)NNc2nc(O)c3cnn(C)c3n2)C1	269287672	DBNIMZKBANQWLK-BDAKNGLRSA-N	304.354	1.338	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cc(C)n[nH]2)cc(OC)c1C	268881144	WIKVZNXSIJZJOF-UHFFFAOYSA-N	318.333	1.119	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NNc1cccnn1	266950306	UCKDSRDAQJBMDZ-JTQLQIEISA-N	307.354	1.319	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@@H]1CCO[C@@]2(CCOC2)C1	364213125	GUPFQSFDDFSQDV-NEPJUHHUSA-N	311.831	1.263	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@@H]1CCN2CCC[C@H]2C1	363913740	LIJKHFRUEXDYLD-ZJUUUORDSA-N	310.789	1.383	50	20	DDGD	
CC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)c1	274070199	NZONEMCOGQMERC-UHFFFAOYSA-N	319.361	1.411	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc(O)c(C(=O)O)c1	275209096	OLNYJARADOCGDX-XFFZJAGNSA-N	304.302	1.150	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H](C)Sc1nnnn1C1CC1	276809632	ZOFHKSCHDPZOJU-SECBINFHSA-N	319.394	1.335	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CCc3nccn3C2)c1	364270960	NZEPVRDIQWRVOM-GFCCVEGCSA-N	314.345	1.375	50	20	DDGD	
COc1nccnc1NNC(=O)CNC(=O)CCC1CCCC1	274105381	PVNXXPVSLWPKHM-UHFFFAOYSA-N	321.381	1.015	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1cc2c(cn1)OCCC2	363712648	MDAQGHYINUJFSC-UHFFFAOYSA-N	316.317	1.144	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)[C@H](C)Oc1ccccc1F)C1CC1	279599865	FKWQUTRERBEXEP-TVQRCGJNSA-N	310.325	1.165	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)CC[C@@H](C)OC	272777117	XFVGTGOHXXILTC-GFCCVEGCSA-N	324.377	1.427	50	20	DDGD	
CCOCCCNC(=O)c1cccc(NC(=O)NNC(C)=O)c1	274109949	CWVDZUKRNYEYPB-UHFFFAOYSA-N	322.365	1.016	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCC1(OC)CCC1	272536400	LNXMDCICMAGEGH-UHFFFAOYSA-N	321.377	1.137	50	20	DDGD	
COC(=O)c1cc(C(=O)N2CC=C(C#N)CC2)cc([N+](=O)[O-])c1	271111402	MJXVBQWDOXHAGU-UHFFFAOYSA-N	315.285	1.677	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(F)c(F)c1	272414357	ZHKXLUCZBIHLGV-QMMMGPOBSA-N	317.292	1.169	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)CSc1ccccc1O	282646433	ZTEUWHKDQYVGIW-RBZYPMLTSA-N	324.402	1.445	50	20	DDGD	
COCCOC1CCC(C(=O)NNc2cccc(F)n2)CC1	286612033	QGMTUMOMBGPXKT-UHFFFAOYSA-N	311.357	1.886	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccc(OCC(F)F)n1	281186544	KAGXCDRPBAQHQZ-UHFFFAOYSA-N	316.333	1.020	50	20	DDGD	
CSSCCNC(=O)N1CCN(c2ncccn2)CC1	283801451	BBYFHFCTACVYIA-UHFFFAOYSA-N	313.452	1.319	50	20	DDGD	
O=C(C[C@@H]1COCCN1)NN=C(c1ccccc1)c1ccccc1	375931826	DHKQZSKFUURNFN-QGZVFWFLSA-N	323.396	1.934	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCN2CC=CCC2)cc(C#N)n1C	280376337	ZJUTUULATAKORR-MHWRWJLKSA-N	323.400	1.490	50	20	DDGD	
COc1cc(C(=O)NCC(Cl)Cl)ccc1OCC(N)=O	288159604	HNYUZEPSGWLZMF-UHFFFAOYSA-N	321.160	1.093	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	283687704	IICPAAGUAMTZJE-CYBMUJFWSA-N	301.293	1.669	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@H]1CCCN1C	299508272	JDTYUBTVFIYUBS-LLVKDONJSA-N	311.769	1.204	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c(O)c1	294021876	WRPBDYAWRHJPQV-HZMBPMFUSA-N	306.362	1.844	50	20	DDGD	
Cc1nc(NC(=O)NNC(=O)C(C)(C)c2ccccc2)nn1C	297350173	IYSKSHAYJLVOIJ-UHFFFAOYSA-N	316.365	1.254	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)Nc2ccccc2)cn1	801989670	YHGRZKRLUAZQAB-UHFFFAOYSA-N	314.301	1.335	50	20	DDGD	
Cc1ccnc2ccc(C(=O)NNC(=O)[C@@H]3CCCCO3)cc12	295350911	IPXRADGQYTWNCR-HNNXBMFYSA-N	313.357	1.873	50	20	DDGD	
COc1cc(C#N)ccc1OCC(=O)NNc1cccc(F)n1	804764111	RKPRJKSSFFMLGX-UHFFFAOYSA-N	316.292	1.623	50	20	DDGD	
CCc1noc2ncc(C(=O)NNC(=O)[C@@H]3CCCCO3)cc12	295568040	NIDJDSBEUCFZJN-LBPRGKRZSA-N	318.333	1.115	50	20	DDGD	
CCC(=O)N[C@H](CCSC)C(=O)NCCSSC	803480129	XHMSBDDSCVIUNB-SECBINFHSA-N	310.510	1.762	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cccc3c2COC3=O)o1	808904108	VFJNAOXDKYMJFQ-UHFFFAOYSA-N	315.285	1.725	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@H](O)c1cccnc1	803429863	LVEDGOQFABXKRA-CQSZACIVSA-N	310.313	1.100	50	20	DDGD	
O=C(NNc1ccncn1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2	296461320	LAMGHUCZSDBZML-RTXFEEFZSA-N	303.366	1.450	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cccc(Cl)c1F	295676838	XPVLCXXMYNPUSO-SNVBAGLBSA-N	300.717	1.809	50	20	DDGD	
CC[C@@H]1CCCCN1CC(=O)NNC(=O)Cc1ccccc1C	297790751	HGZXTGCYVSPZDF-MRXNPFEDSA-N	317.433	1.949	50	20	DDGD	
CCn1ccnc1C(=O)NNC(=O)COc1cc(C)ccc1C	291467824	OOLPUPPFJZYCJM-UHFFFAOYSA-N	316.361	1.360	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1cccc(-n2cccn2)c1	292582620	IICBHMKBMDVVJU-ZDUSSCGKSA-N	315.333	1.204	50	20	DDGD	
CSc1ccc(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)nc1	296611755	FJRMRWLVGYAMGK-WPRPVWTQSA-N	310.379	1.524	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C(C1CCC1)C1CCC1	803788297	QTYOVQNZCKWULI-SNVBAGLBSA-N	310.394	1.692	50	20	DDGD	
O=C(NNc1ncncc1F)[C@@H]1COc2ccc(Cl)cc2C1	817078272	XLAUXPGWQZXMKK-VIFPVBQESA-N	322.727	1.964	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CC1(F)F	817425036	WUBQTODEWGYGKJ-ZDUSSCGKSA-N	312.272	1.264	50	20	DDGD	
O=C(NNc1ncncc1F)[C@H]1CC(=O)N(C2CCCCC2)C1	817080654	XKUKJKDMQHIQQS-JTQLQIEISA-N	321.356	1.240	50	20	DDGD	
Cn1nncc1NNC(=O)C[C@H](c1ccccc1)C(F)(F)F	816769352	DIOHVNMSRXEQPM-SNVBAGLBSA-N	313.283	1.994	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1cc(CO)ccc1O	814812547	BHAGSCKIISAOLN-UHFFFAOYSA-N	314.341	1.586	50	20	DDGD	
CN(C)c1cc(C#N)cc(C(=O)NNC(=O)Cc2cccnc2)c1	814407991	BSBDIFPRLRMPKB-UHFFFAOYSA-N	323.356	1.023	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)CNc1ccccc1F	811631067	JZSFPQHORISXRI-NSHDSACASA-N	306.341	1.398	50	20	DDGD	
COc1ccccc1SCC(=O)NN=C(C)c1cnnn1C	814889835	TVGMPXFVXZSZKF-UHFFFAOYSA-N	319.390	1.456	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NNC(=O)CCCC2CC2)c1	812464772	JPDXEADAGHFOIS-UHFFFAOYSA-N	324.402	1.431	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(C(=O)OC(C)(C)C)ccn1	824032433	KHJNEUUJTOZIJI-UHFFFAOYSA-N	308.338	1.600	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1cc(-c2nn[nH]n2)ccc1F	821314405	KOCRFBYEFJBUEO-DHZHZOJOSA-N	316.296	1.066	50	20	DDGD	
COC(=O)[C@H](CC1CC1)NC(=O)/C(C#N)=C/c1ccc(O)cc1	491044433	CBYLKMREHCWAEF-NRUITVPNSA-N	314.341	1.757	50	20	DDGD	
C[C@]1(CC(=O)NNc2ncnc3[nH]cnc23)CC1(Cl)Cl	825954393	RQEBYNATDIRAMT-JTQLQIEISA-N	315.164	1.770	50	20	DDGD	
C[C@H]1CCC[C@]1(C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C	496994256	FYJWERYYQOXPFF-BONVTDFDSA-N	313.398	1.485	50	20	DDGD	
O=C(CCn1ccnc1)NNC(=O)Cn1ccc2ccccc21	729451900	IPNQMJUZYUWXTM-UHFFFAOYSA-N	311.345	1.076	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@@H]1CCCCN1C1CCCC1	827472386	FEUZKMGHZNDHQZ-ZDUSSCGKSA-N	307.373	1.856	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1ccc(F)cc1OC)C(C)C	496375720	HEDVXMRTJBIHAY-LBPRGKRZSA-N	313.329	1.658	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H]2C[C@H](C)OC2=O)cc1	491158878	GRJSNCDWHLXMED-VKABWTOWSA-N	314.341	1.812	50	20	DDGD	
CC[C@@]1(O)CCN(C(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)C1	490906999	FYLPSOPMZKGQEF-OEXZBZRSSA-N	312.373	1.486	50	20	DDGD	
COC(=O)N1CCN(/C(=C\C#N)c2cccc([N+](=O)[O-])c2)CC1	492884442	UOPDWMYMRBBSHT-RZNTYIFUSA-N	316.317	1.843	50	20	DDGD	
COc1cc(C=NNC(=O)CNC(=O)OC(C)(C)C)ccc1C	496528412	QEXJGKZXSVVGPB-UHFFFAOYSA-N	321.377	1.978	50	20	DDGD	
Cc1cc(C)c(C)c(OCCC(=O)N2CC[C@H](B(O)O)C2)c1	585066408	NILFHZHHIUQGPG-AWEZNQCLSA-N	305.183	1.456	50	20	DDGD	
C[C@]1(C(=O)Nc2cccc(B(O)O)c2)[C@@H]2Cc3ccccc3[C@@H]21	584913857	KLZIDTFQRNFVOF-RYRKJORJSA-N	307.158	1.281	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1nnc(C)s1)c1ccccc1	827184779	HHNRKNDCMOYVGQ-NSHDSACASA-N	304.375	1.801	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21)c1cccc2cccnc12	906463408	XCTUNKZPFVEGCY-ZLKJLUDKSA-N	309.325	1.221	50	20	DDGD	
CCC[C@@](C)(NC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)OC	491052707	WNCOMTKAUWNMMJ-WASHYIJTSA-N	304.350	1.175	50	20	DDGD	
Cc1csc([C@H](NC(=O)c2cccc(B(O)O)c2)C2CC2)n1	584953850	YFPKIWVFGWCDKF-CYBMUJFWSA-N	316.191	1.012	50	20	DDGD	
O=C(N[C@@H]1CCC[C@@H]2CCCC[C@@H]21)c1cccc(B(O)O)c1	584993354	QKRUAMCHBPIXMW-VBNZEHGJSA-N	301.195	1.455	50	20	DDGD	
CCCN(NC(=O)[C@H](C)CC(=O)OC)C(=O)OC(C)(C)C	495695688	NQLVRLKCCUFJBQ-SNVBAGLBSA-N	302.371	1.864	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)C1=Cc2ccccc2CC1	901967326	ZXDQHQPNXSOMIV-UHFFFAOYSA-N	318.398	1.728	50	20	DDGD	
O=C(NCB(O)O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1	585059177	BYWUTYNWOJRRNJ-CQSZACIVSA-N	321.088	1.213	50	20	DDGD	
COc1ccc(CC[C@@H](C)NCc2ccccc2B(O)O)cc1	585019248	HKHLUAIAQKXBJR-CQSZACIVSA-N	313.206	1.486	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cc(N(C)C)ncn1	839342392	QJCSEOHDIJDNMU-UHFFFAOYSA-N	322.800	1.847	50	20	DDGD	
C[C@@H]1CC(C)(C)CN1CC(=O)NNC(=O)c1cccc(C#N)c1	839657934	IMLATMSJXOCKDL-GFCCVEGCSA-N	314.389	1.440	50	20	DDGD	
O=C(NNc1c(F)cccc1Cl)C1(CO)CCOCC1	837539790	PTANBBLKSMSABU-UHFFFAOYSA-N	302.733	1.711	50	20	DDGD	
Cc1cc(CNC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)n[nH]1	733286231	UUUQXWQGJNBYGE-ACAGNQJTSA-N	308.345	1.460	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NN=c2cc[nH]cc2)C1	831868566	XNRFPPSLQFWSFW-UMSPYCQHSA-N	306.366	1.250	50	20	DDGD	
CN(C)C(=O)[C@@H]1CCN(/C(=C\C#N)c2cccc([N+](=O)[O-])c2)C1	839641487	VADSWJDFOFJPCV-IUSDJGRYSA-N	314.345	1.869	50	20	DDGD	
O=C(NN=C1C[C@]2(CCOC2)Oc2ccccc21)c1cc[nH]n1	901262603	IHUIBCQMCOIRCP-INIZCTEOSA-N	312.329	1.485	50	20	DDGD	
O=C(NN=Cc1cccc2c1OCCCO2)[C@@H]1CCCCO1	834988617	LHZGHAMZXQBACY-AWEZNQCLSA-N	304.346	1.867	50	20	DDGD	
CC(=O)N1C[C@H]2CN(C(=O)[C@]3(C)C[C@@H]3Br)C[C@H]2C1	908370229	IMKSNEUGWJSLBM-SRRSOLGSSA-N	315.211	1.097	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2C[C@@]23CCOC3)c(F)c1	837206754	GPGFDUKEMUIVNJ-ZUZCIYMTSA-N	308.309	1.482	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@H]1CC[C@H]2CCCCN21	900637440	DUYMOXUTNHZULP-UKRRQHHQSA-N	319.380	1.533	50	20	DDGD	
C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CC[C@H](B(O)O)C1	585073135	APMPZYWLFQAJLU-JSGCOSHPSA-N	319.210	1.827	50	20	DDGD	
C[C@@H](C[C@@H](C)N)NC(=O)NNC(=O)c1cc2ccccc2o1	831212631	SBOVNNZQCJWWPM-ZJUUUORDSA-N	304.350	1.503	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2cnn(C(C)(C)C)c2)ccn1	731561780	WLOUDKLEWNGQJI-UHFFFAOYSA-N	314.393	1.863	50	20	DDGD	
C=C[C@H](CC)CC(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	909532149	IIOQENDRYGOZNJ-CYBMUJFWSA-N	318.373	1.902	50	20	DDGD	
CC(C)(C)c1cc(-c2nc(-c3ccc(B(O)O)cc3)no2)no1	585050689	HPYQGVDVALXOOE-UHFFFAOYSA-N	313.122	1.369	50	20	DDGD	
COCCOCCCCNC(=O)NNc1ccc(F)cn1	731365875	RRJPWDCAFRCSQN-UHFFFAOYSA-N	300.334	1.290	50	20	DDGD	
C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1cccc(B(O)O)c1	584990869	MXFPETHTGYOTTE-LBTNJELSSA-N	323.201	1.773	50	20	DDGD	
CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)NNc1ccncn1	836310954	WFRNIPLBABSEHN-YPMHNXCESA-N	307.398	1.944	50	20	DDGD	
O=C(NCB(O)O)c1cc(-c2cccnc2)nc2ccccc12	585060414	QRUSPFBPTCYRHK-UHFFFAOYSA-N	307.118	1.039	50	20	DDGD	
N#Cc1cccc(C(=O)NN[C@H](C(=O)O)c2cccc(C#N)c2)c1	833074077	NVTMKSONKFLRSD-HNNXBMFYSA-N	320.308	1.490	50	20	DDGD	
O=C(NN=Cc1ccccc1F)c1cccc(-c2nn[nH]n2)c1	738130690	VICZFSMVDFXUMD-UHFFFAOYSA-N	310.292	1.770	50	20	DDGD	
Cc1nc2ccnn2c(C)c1CCC(=O)NNc1cnccn1	734245599	VBEGKOOISBELSR-UHFFFAOYSA-N	311.349	1.212	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2C1	839472960	ALQLALJLGXLZJT-FXBDTBDDSA-N	323.374	1.299	50	20	DDGD	
CCCCOCCNC(=O)NNC(=O)Nc1ccc(OC)cc1	836260084	NARPPNYGNUZZSY-UHFFFAOYSA-N	324.381	1.848	50	20	DDGD	
CCn1cc(C=NNC(=O)CNc2cccc(OC)c2)cn1	732528153	DVKSSSPAHLLUOW-UHFFFAOYSA-N	301.350	1.474	50	20	DDGD	
CC(=NNC(=O)Cc1ccccc1F)c1c(C)nc(O)nc1O	731316964	RFZPYLMQTBDANR-UHFFFAOYSA-N	318.308	1.418	50	20	DDGD	
CC(C)COc1ccc(CC(=O)N2CC[C@@H](B(O)O)C2)cc1	585065032	CPWSPYVCRTWEMX-CQSZACIVSA-N	305.183	1.339	50	20	DDGD	
COc1cccc(C)c1NC(=O)NNC(=O)[C@H]1CCCCO1	836566639	YHDJOYGUMBFFHS-GFCCVEGCSA-N	307.350	1.725	50	20	DDGD	
CCc1c(C(=O)NN(C)C[C@H](C)O)cnn1-c1ccccc1C	910158387	DOAQHBBJHOUIRE-ZDUSSCGKSA-N	316.405	1.701	50	20	DDGD	
CO[C@H](C=NNC(=O)c1ccc(Cl)nc1)C1CCOCC1	834941429	BXEFFXTVRZCJOS-GFCCVEGCSA-N	311.769	1.892	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=Cc1cccc(Cl)c1	730587400	LUYQVHYYNFDGSB-UHFFFAOYSA-N	322.777	1.817	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)cc1	911876993	IIGVDZPYNSQIFP-KCPJHIHWSA-N	302.330	1.070	50	20	DDGD	
Cc1cccc2c1O[C@H](C(=O)NNC(=O)[C@@H]1CCCCO1)C2	833235487	FIKAPTHMXLCOKJ-STQMWFEESA-N	304.346	1.015	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)c(F)c1	837210061	XBADFFJFDILIEP-GBIKHYSHSA-N	308.309	1.623	50	20	DDGD	
N#Cc1ccc(NNC(=O)C[C@@H]2CC(=O)N2)cc1C(F)(F)F	830805790	DAKCUFBRFRLBNR-VIFPVBQESA-N	312.251	1.299	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C2CCC(C(=O)O)CC2)cc1	833670358	UUSQTMNXFJWLIZ-UHFFFAOYSA-N	318.373	1.901	50	20	DDGD	
CSCCNC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	743521962	TUPXCBYCWXXSNV-UHFFFAOYSA-N	311.411	1.451	50	20	DDGD	
O=C(COCC(F)(F)F)NNc1cc(O)nc2ncccc12	913991271	NVRFNUWICGIEIM-UHFFFAOYSA-N	316.239	1.357	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)N[C@H](CCN)C(F)(F)F	841332543	HFHLYJWIKHETJW-MRVPVSSYSA-N	320.319	1.506	50	20	DDGD	
Cc1cc(O)cc2c1C(=O)C(=NNC(=O)Cc1ccncc1)O2	747646074	LSVNFRWWZGQQNJ-UHFFFAOYSA-N	311.297	1.343	50	20	DDGD	
CS[C@@H]1CCCCN(CC(=O)NNC(=O)C(C)(C)C)C1	749465633	HQFFGBSJBXCVPD-LLVKDONJSA-N	301.456	1.397	50	20	DDGD	
CC[C@H](OC1CCCCC1)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843653198	MQDFEHZKOMCHJT-UBHSHLNASA-N	312.410	1.687	50	20	DDGD	
CCC[C@H](O)[C@H](CO)NC(=O)[C@@H](Br)C(C)(C)C	840551956	QCGPECQUIOCWEY-LPEHRKFASA-N	310.232	1.434	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1(c2ccc(Cl)cc2)CC1	843649002	RXMBBRFBZGQJJU-ZWNOBZJWSA-N	322.792	1.944	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)cn1	745876002	LKAGQWXYGVGFNU-NQBHXWOUSA-N	305.382	1.333	50	20	DDGD	
COc1cc(OC)c(C=NNC(=O)[C@@H]2CCO[C@@H]2C)c(OC)c1	842560038	WNIJLUCLHDEKPH-ZYHUDNBSSA-N	322.361	1.588	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2cccc(S(C)(=O)=O)c2)CCN1C	741459497	BTYTVJLYNXPCCQ-LLVKDONJSA-N	323.418	1.290	50	20	DDGD	
CC[C@@](C)(NCC(=O)NNC(=O)C(C)(C)C)c1nccs1	744404262	LXWSLWVCNQINGU-CQSZACIVSA-N	312.439	1.551	50	20	DDGD	
C[C@@H](C#N)C(=O)NNc1nc(-c2ccccn2)nc2c1CCC2	748339514	MYHCTFUDZOOMNS-JTQLQIEISA-N	308.345	1.630	50	20	DDGD	
CNCCCNC(=O)NNC(=O)c1c(Cl)cccc1Cl	841915979	UVJDRZXSQFVDSF-UHFFFAOYSA-N	319.192	1.547	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2C[C@H]2CC(C)(C)C)n1	845382447	VZFSBNCLGZYUOF-QWHCGFSZSA-N	321.425	1.655	50	20	DDGD	
NCCNCC(=O)NNc1c(Cl)cc(Cl)cc1Cl	911917287	QOVLJDSYXYCPAS-UHFFFAOYSA-N	311.600	1.638	50	20	DDGD	
CCCNC(=O)NNC(=O)COc1ccc(CCC(C)=O)cc1	745109400	SAHYEUNUCXIAGK-UHFFFAOYSA-N	321.377	1.327	50	20	DDGD	
O=C(NC[C@@H]1CCS(=O)(=O)C1)NNc1ccc(F)c(F)c1	914008296	CVLGJEIXUVUMGJ-QMMMGPOBSA-N	319.333	1.026	50	20	DDGD	
CCCCC[C@H]1CCCN1C(=O)NNC(=O)c1ncccn1	841592456	QKPZCVJJPWEAPG-LBPRGKRZSA-N	305.382	1.876	50	20	DDGD	
O=C(O)Nc1cccc(C(=O)NNC(=S)NCC2CCC2)c1	740034193	TUDKYUOYIRIIFV-UHFFFAOYSA-N	322.390	1.686	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C(=O)N2CCCC2)cc1F	748151179	JSKLCMWOLSGSFI-UHFFFAOYSA-N	324.381	1.074	50	20	DDGD	
CC[C@@H]1CN(CC(=O)NNC(=O)c2cccs2)[C@H](C)CO1	844390860	LAEVIXLGNWZWDZ-GHMZBOCLSA-N	311.407	1.008	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1cccc(F)c1F	843648970	SPYZLXZUOSRXFG-ONGXEEELSA-N	312.316	1.470	50	20	DDGD	
CCCCNC(=S)NNC(=O)[C@H](C)CN1CCC(C)CC1	916118060	ZYJBJNNPAVHUJS-CYBMUJFWSA-N	314.499	1.650	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCC2=CCNCC2)cc1	841972098	VPMGSXHBWFQRST-UHFFFAOYSA-N	302.378	1.113	50	20	DDGD	
O=C(NNC(=O)C1CC2(CCC2)C1)c1cccc([N+](=O)[O-])c1	843514859	AVMZYOIPVHWRFS-UHFFFAOYSA-N	303.318	1.936	50	20	DDGD	
C[C@H](CN1CCCCCC1)C(=O)NN=Cc1cccc(C#N)n1	841615461	YTWXCCJSEASLIY-CQSZACIVSA-N	313.405	1.915	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H]2CC[C@H]2C(N)=O)cc1C	848107387	CJHLUYOEQAXRJB-CHWSQXEVSA-N	319.361	1.126	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2nccc3ccccc23)n1	740103371	PFOUTSNCMKYGDL-UHFFFAOYSA-N	308.345	1.848	50	20	DDGD	
CCCSCC(=O)NNc1ncc(Br)cn1	848320707	UDWYKYDDCBTGRA-UHFFFAOYSA-N	305.201	1.825	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(/C=C/C(=O)OC)o1	848403787	BQRGLTVLXXYVNO-NHQHCWQKSA-N	309.322	1.135	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2CCCN2c2ncccn2)cc1	748102244	XERSKDOEGRDPSQ-AWEZNQCLSA-N	308.345	1.460	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)C1	747753656	LDHPECXDUMKFGS-GARJFASQSA-N	301.412	1.285	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NCCCNC1CC1	841917911	PTIMPEJEYHIJCA-UHFFFAOYSA-N	304.394	1.010	50	20	DDGD	
CC(C)[C@H](N)CNC(=O)NNC(=O)Cc1ccc(Cl)cc1	841944025	UIDLNPFWDIQWPI-GFCCVEGCSA-N	312.801	1.196	50	20	DDGD	
O=C(NNc1cnccn1)[C@@H]1CCO[C@H](c2ccccc2)O1	847755469	YINUCMDMEDAWRB-WFASDCNBSA-N	300.318	1.424	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1ccc(F)cn1	752581490	WOLXJRLRNIICEX-UHFFFAOYSA-N	309.322	1.381	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NN=Cc1cnc2n1CCC2	853330491	NUGBMWHHZNRBTD-UHFFFAOYSA-N	321.381	1.194	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CCc2ccn(C)n2)ccc1C	857264053	LTQSJSMBPGQLDM-UHFFFAOYSA-N	316.361	1.591	50	20	DDGD	
Cc1cc(C=NNC(=O)Cc2cn3ccccc3n2)c(C)n1C	754949879	NBOXORKEHDHOQG-UHFFFAOYSA-N	309.373	1.982	50	20	DDGD	
CN1CCCC[C@H](CNC(=O)NNc2ncncc2Cl)C1	858766665	QKLCHIXXRYNABS-SNVBAGLBSA-N	312.805	1.488	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1nc(C)sc1C	853388070	ACHUXCIFNYCEMI-OLZOCXBDSA-N	322.434	1.463	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H](C)C2CCOCC2)c1	858299986	DGGWXPDJEOQMKF-SNVBAGLBSA-N	311.407	1.816	50	20	DDGD	
C[C@@H]1CN(C2CC2)CC1=NNC(=O)c1cccc(C(=O)O)c1	853426061	NZXOARHCXBKPBF-SNVBAGLBSA-N	301.346	1.585	50	20	DDGD	
CNC[C@@H](C)NC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	851681072	MQHPBFLOLLYKSP-DGCLKSJQSA-N	322.409	1.009	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@@]2(C)C[C@H]2Br)CCC(=O)N1	856862473	AKMGTSRCYYBCEE-GGZOMVNGSA-N	318.215	1.128	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCc2c(C3CC3)cnn2C)cn1	855791143	LJTNWZSINFXXOU-ACAGNQJTSA-N	310.361	1.254	50	20	DDGD	
Cc1ccc(NNC(=O)CCC(=O)c2cnn(C)c2)cc1F	856228541	WQVJYBLQWOIMDH-UHFFFAOYSA-N	304.325	1.974	50	20	DDGD	
Cc1[nH]c2ccc(Cl)cc2c1C=NNC(=O)C(=O)NC1CC1	752720863	QIIRUYSXLWLVJZ-UHFFFAOYSA-N	318.764	1.858	50	20	DDGD	
CC(C)Oc1cncc(C(=O)NNC(=S)N[C@@H](C)C2CC2)c1	855098934	OMWCNBDRIXRPGO-JTQLQIEISA-N	322.434	1.776	50	20	DDGD	
Cc1nn(C)c(C)c1CCC(=O)NNC(=O)OCC(F)(F)F	856024728	HTCSPTWTWMTMTP-UHFFFAOYSA-N	322.287	1.289	50	20	DDGD	
CCN1C[C@@H](NC(=O)NNc2cc(F)cc(Cl)c2)CC1=O	854112073	OXMPZTRJTCZAGP-NSHDSACASA-N	314.748	1.726	50	20	DDGD	
COCCNC(=S)NNC(=O)Nc1ccc(Cl)cc1	754390409	ADZSCSALBRBKRJ-UHFFFAOYSA-N	302.787	1.487	50	20	DDGD	
O=C(NNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(F)n1	853051795	IZRKLRWSLOHCBY-ATZCPNFKSA-N	308.382	1.518	50	20	DDGD	
CC(C)COc1ccccc1C(=O)NNC(=O)c1cc[nH]n1	855358636	QMYUDPHHKKHMCL-UHFFFAOYSA-N	302.334	1.519	50	20	DDGD	
C[C@@]1(CNC(=O)NC2(CO)CCCC2)C[C@@H]1Br	856951951	ADWJPVJFORDAGF-ONGXEEELSA-N	305.216	1.764	50	20	DDGD	
C=C[C@H](O)C(=O)NNC(=O)COc1cc(C)ccc1C(C)C	854183447	DICKYPGAKAQRSQ-ZDUSSCGKSA-N	306.362	1.192	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ccnc(C3CC3)c2)n1	753456802	DNGGNJAQKZOGOA-UHFFFAOYSA-N	304.741	1.742	50	20	DDGD	
O=C(NC[C@H]1CCCN1CC(F)F)NNc1cccc(F)n1	858746767	CMHUYEQCSVDELO-SECBINFHSA-N	317.315	1.576	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCc2nn[nH]c21	855626924	RJCSZLFEOCKVRQ-MRVPVSSYSA-N	320.284	1.415	50	20	DDGD	
CCN1CCC[C@@H]1CNC(=S)NNC(=O)c1ccc(C)o1	752246562	UQJSREHROCYHPF-LLVKDONJSA-N	310.423	1.181	50	20	DDGD	
C[C@H](NNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C(F)(F)F	862310907	AUQMAYRHUQDISY-LURJTMIESA-N	309.248	1.098	50	20	DDGD	
O=C(CC(F)(F)C(F)(F)F)NNc1nc2ccccn2n1	867754648	RSKYLDHIITYYAI-UHFFFAOYSA-N	309.198	1.760	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)OCC(F)(F)F)cc1O	869281751	LFPDFIZRYCILHY-UHFFFAOYSA-N	322.239	1.263	50	20	DDGD	
CCO[C@@H](CC(=O)NNC(=S)N[C@@H](C)C1CC1)C(C)C	760880694	NHJUTWMIUKMYLV-JQWIXIFHSA-N	301.456	1.731	50	20	DDGD	
C[C@H](C(=O)NNc1nccnc1C1CCC1)[C@@H]1CCC(=O)N1	861703094	FTFICDNPXASPBU-ONGXEEELSA-N	303.366	1.102	50	20	DDGD	
C[C@](NC(=O)NNC(=O)C1CCOCC1)(C1CC1)C(F)(F)F	933557916	CHMUNQIKQABQIB-LBPRGKRZSA-N	323.315	1.474	50	20	DDGD	
C=CCSc1ccccc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1	862460759	JABGUKLEYDKTSK-NSHDSACASA-N	319.386	1.004	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)c1sccc1O	769781331	ZMLPTYYPNNQAKA-UHFFFAOYSA-N	323.399	1.785	50	20	DDGD	
C[C@H]1C[C@H](CC(=O)NNC(=O)CS(C)(=O)=O)CC(C)(C)C1	863460785	MQQFBSXYILKDTF-WDEREUQCSA-N	318.439	1.031	50	20	DDGD	
COCCOCC(=O)NNC(=O)Cc1cccc(C)c1Cl	869906746	QXGDZMQLKFNIBM-UHFFFAOYSA-N	314.769	1.001	50	20	DDGD	
C[C@H](CCc1ccc(F)cc1)C(=O)NNC(=O)c1ncccn1	868894365	QESFOWKWEYDEJA-LLVKDONJSA-N	316.336	1.646	50	20	DDGD	
CN(C)CC(=O)NN=C1CN(Cc2ccccc2)C(C)(C)C1	761257483	AEJLTVJPUOFKEF-UHFFFAOYSA-N	302.422	1.705	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2ccc3c(c2)C[C@H](C)O3)n[nH]1	869018280	JLXBBDLWHCUPDT-JTQLQIEISA-N	314.345	1.045	50	20	DDGD	
O=C(NNc1cccc(F)c1Cl)[C@@H]1CCc2nncn2C1	862508734	XPHCIPCPTKGDIP-MRVPVSSYSA-N	309.732	1.776	50	20	DDGD	
Cc1ccc(C=NNC(=O)c2cc([N+](=O)[O-])ccc2O)nc1	761812368	KSLOOEKQELFQNT-UHFFFAOYSA-N	300.274	1.768	50	20	DDGD	
O=C(NC[C@@H](n1cncn1)C(F)(F)F)NNc1ccccn1	868881756	LNPLTGXAQFHMIJ-MRVPVSSYSA-N	315.259	1.103	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)C[C@@H]1CCC(=O)NC1	862289220	MLRMKGBOOUFYTK-ZDUSSCGKSA-N	319.361	1.203	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2cc(-c3cccs3)[nH]n2)CN1C	764785937	MISLVHNUSINIRR-VIFPVBQESA-N	303.391	1.948	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cncc2ccccc12	764081930	LAFRISCTSMEDOT-JTQLQIEISA-N	314.345	1.367	50	20	DDGD	
CSc1ccccc1NC(=O)C(=O)NNc1cnccn1	766259210	UOGRSTQXMAFIDE-UHFFFAOYSA-N	303.347	1.280	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2ccccc2F)c(C)nn1	767450761	USHLBQIJCJLQTA-UHFFFAOYSA-N	302.309	1.236	50	20	DDGD	
CCCCN(C)c1ccc(NC(=O)C(=O)NNC(=O)CC)cc1	763441304	IYQKQMXLJBNFRK-UHFFFAOYSA-N	320.393	1.419	50	20	DDGD	
COCc1ccc(C=NNC(=O)C(=O)Nc2ccc(C)cc2)o1	764665852	IVRVCDCEFWVXJD-UHFFFAOYSA-N	315.329	1.823	50	20	DDGD	
CC1=NO[C@@H](C(=O)NNC(=S)Nc2ccc(N(C)C)cc2)C1	874953314	BUFZRWNZFHDQDK-GFCCVEGCSA-N	321.406	1.235	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)COCCOC)C[C@H]1C	872401503	XSDGPMHOQPHPDY-DGCLKSJQSA-N	314.382	1.121	50	20	DDGD	
C[C@H]1CC(=O)CC[C@@H]1C(=O)NNc1cccc(S(C)(=O)=O)c1	776526101	LYQHMEZOFDGRBB-HZMBPMFUSA-N	324.402	1.539	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H](C)c2cnn(C(C)C)c2)cc[nH]1	875275819	ISQCTDQLHPFFCQ-LBPRGKRZSA-N	302.382	1.977	50	20	DDGD	
Cc1cc(Br)cc(C=NNC(=O)CCO)c1O	1117742413	QGQPZZIHZPHDAZ-UHFFFAOYSA-N	301.140	1.296	50	20	DDGD	
O=C(CN1CCSC1=O)NNc1cnc2ccccc2n1	774770577	KUQWARZNJPIWMZ-UHFFFAOYSA-N	303.347	1.242	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Cn1nc(C(F)F)cc1C1CC1	873926477	JVTTVYDAQCXQPR-UHFFFAOYSA-N	314.336	1.892	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)[C@@H]2CC2(F)F)cc1	874953735	JONAIZTZPQYCDW-JTQLQIEISA-N	314.361	1.725	50	20	DDGD	
Cc1c(C(=O)NN=c2cc[nH]cc2Cl)ccc2cncn12	1116528238	TYAKJOIQRCDURT-UHFFFAOYSA-N	301.737	1.870	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1cccc2nccn12	770643272	GGTOOJWRLRUWJC-UHFFFAOYSA-N	312.304	1.477	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@@H](C(C)(C)C)C(F)(F)F)cn1	775981081	NAYVLEKNYPLHTR-VIFPVBQESA-N	321.303	1.341	50	20	DDGD	
CCCC[C@H]1CCC[C@H]1NC(=O)NNC(=O)c1cccnn1	883316740	JGLMOIOYRCLZKN-NWDGAFQWSA-N	305.382	1.780	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)c2cccnn2)s1	882058327	OCLPWXQCLAAFQG-UHFFFAOYSA-N	304.375	1.910	50	20	DDGD	
CC(C[C@@H](C)CC(C)C)=NNC(=O)N[C@H]1CCS(=O)(=O)C1	779769863	BHLJCPVREGCYRQ-AAEUAGOBSA-N	317.455	1.921	50	20	DDGD	
O=S(=O)(CCCCl)N1CC2(CCOCC2)[C@@H]1C1CC1	882222659	WOEOTFKFVZOKRB-LBPRGKRZSA-N	307.843	1.836	50	20	DDGD	
C[C@@H]1COCC1=NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	884439926	UGOJJFNLFDFDCH-SECBINFHSA-N	302.309	1.968	50	20	DDGD	
O=C(NNC(=O)c1ccn(Cc2ccccc2)n1)c1ccncc1	771838456	JWMWVLBWYQTLPS-UHFFFAOYSA-N	321.340	1.401	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@@H]1CCCC12OCCO2	889534891	OSQHOBBVEWDVLO-SECBINFHSA-N	313.745	1.052	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccc(C#N)cn1)N1CCCCC1	887868168	CKDKRZHVJPWQMX-LBPRGKRZSA-N	302.382	1.454	50	20	DDGD	
CN1CCCC[C@@H]1CCN(C)S(=O)(=O)CBr	782453838	JJXOZBMMEIUZSZ-SNVBAGLBSA-N	313.261	1.475	50	20	DDGD	
CO[C@@H](C(C)=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1	782184615	JRTCLPYZYKZOTF-KBPBESRZSA-N	324.402	1.301	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(CC(F)F)C2CCC2)n1	884311192	UCFFPCSSKYSAKE-UHFFFAOYSA-N	312.320	1.864	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCCc2nccn2C)cc(C#N)n1C	1124080959	YMRMMQOLJPXUNC-ZSOIEALJSA-N	322.372	1.205	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C1CCc2cc(O)ccc21	780220833	YMTNZOXRDRKVCG-UHFFFAOYSA-N	313.313	1.182	50	20	DDGD	
CCN(CC)CCSCC(=O)NNc1ncncc1Cl	781825629	NZFIRSCLOONPPH-UHFFFAOYSA-N	317.846	1.648	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(C)nn1C1CCOCC1	887151692	HOYZHTHVRAFGDN-UHFFFAOYSA-N	318.377	1.108	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1cnn(-c2ccc(Cl)cc2)c1	785466912	YJRDBZKSCSPJRU-UHFFFAOYSA-N	306.753	1.747	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2	783484933	VVWKUEDHFMDHKW-SRVKXCTJSA-N	306.337	1.788	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@@H](Br)C(C)(C)C)C[C@@H](CO)O1	787470755	FCCPBRHJGAQSHX-KXUCPTDWSA-N	308.216	1.404	50	20	DDGD	
CC1(C)OC[C@@H](CNC(=O)NNc2ccc(Cl)nc2)O1	783269090	TWUZFVWJYIYGPM-SECBINFHSA-N	300.746	1.513	50	20	DDGD	
CC(C)n1cc(NC(=O)C(=O)NNc2cccnc2Cl)cn1	784842378	QYKRRWQQXBWGSH-UHFFFAOYSA-N	322.756	1.594	50	20	DDGD	
CN1CCC[C@@H]1c1cc(C(=O)NNC(=S)NC(C)(C)C)n[nH]1	899999475	OIHJGNJFJVSTTC-LLVKDONJSA-N	324.454	1.084	50	20	DDGD	
CCCCn1cc(CNS(=O)(=O)CBr)c(C)n1	782477454	USYQCSIXCYZNKA-UHFFFAOYSA-N	324.244	1.763	50	20	DDGD	
Cc1onc(-c2cccc(F)c2)c1C(=O)NNC(=O)CN(C)C	894133108	FHIYPYZOFMZRCE-UHFFFAOYSA-N	320.324	1.112	50	20	DDGD	
CC[C@@H](O)[C@H](C)C(=O)NNC(=O)COc1cc(C)cc(C)c1	899939804	XAFFKWDQRZMYNZ-GXTWGEPZSA-N	308.378	1.237	50	20	DDGD	
CC(=O)NN=C1C(=O)Nc2ccc(Br)c(Cl)c21	788016336	KMNCSUPSQHUNTN-UHFFFAOYSA-N	316.542	1.895	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)C2CC2)cc1N1CCNC1=O	786359012	WUOMESIFTARCDC-UHFFFAOYSA-N	317.349	1.087	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)Cc1ncccc1F	798310386	WQXSZANSGNOZSR-UHFFFAOYSA-N	302.309	1.925	50	20	DDGD	
CC[C@@H](O)[C@H](C)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	899949018	OYPREPBSHGJFJK-IINYFYTJSA-N	303.362	1.265	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	794612978	HUZDOZAZUPORIU-HNNXBMFYSA-N	305.334	1.405	50	20	DDGD	
CSSCCNC(=O)NC[C@@H](C(C)C)N1CCOCC1	790667381	LFQJLYYPSAZIBJ-LBPRGKRZSA-N	321.512	1.654	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1ccn(C)c(=O)c1	798142841	ZTSMNFKDQBLIBL-UHFFFAOYSA-N	321.768	1.709	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1ccc(C(F)(F)F)s1	795819466	ODCUPARKMIKSFV-UHFFFAOYSA-N	323.296	1.454	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)COc1ccc(C)c(C)c1	792797889	QGWZSBYKLFWCDC-BDJLRTHQSA-N	322.405	1.891	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cc(C2CC2)no1	799334299	VKNPCMNZGUEINZ-UHFFFAOYSA-N	301.302	1.635	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H](C)Sc2ccccn2)n1	794083696	LFPKXTOSRXJKJB-NSHDSACASA-N	316.386	1.727	50	20	DDGD	
CSSCCNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1	791150886	WMMXTWMVPPNNMK-NSHDSACASA-N	302.465	1.762	50	20	DDGD	
C=CCN(CCC#N)CC(=O)NNC(=O)c1cccc(C)c1	794736172	VTHHZRKGISVTHF-UHFFFAOYSA-N	300.362	1.158	50	20	DDGD	
C[C@H]1CC[C@@H](CNC(=O)NNC(=O)COc2ccc(F)cc2)C1	793459150	NJWDQANTSBQIBE-NWDGAFQWSA-N	323.368	1.971	50	20	DDGD	
Cc1ncncc1C(=O)NNC(=O)CCOc1ccccc1	1318057187	TVAMUOQHBBLYCW-UHFFFAOYSA-N	300.318	1.015	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)Nc1cnn(Cc2cccnc2)c1	1320540670	MIMWXOXYAPNMSZ-UHFFFAOYSA-N	309.333	1.292	50	20	DDGD	
CCc1cc(C(=O)NNc2cccc(C(=O)OC)c2C)nn1C	1328648963	UGDHZUZQOWPLTM-UHFFFAOYSA-N	316.361	1.834	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2cc(F)cnc2O)nn1	1328627241	JTJMZZSJQMTXHZ-UHFFFAOYSA-N	305.313	1.771	50	20	DDGD	
N#Cc1ccncc1C(=O)NNC(=O)c1ccccc1Cl	1324025287	ZPNGDOJKDOEWMO-UHFFFAOYSA-N	300.705	1.681	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2cccc3c2OCO3)CC1	1248680059	ZHXOCLHJHJJEGL-UHFFFAOYSA-N	317.389	1.987	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCC[C@@H]1CCCCO1	1328142743	GSTDGWVWCROAJY-RWMBFGLXSA-N	313.398	1.091	50	20	DDGD	
Cc1nc2cccc(C(=O)NNc3nncc(N)c3Cl)c2[nH]1	1322744605	FNWBIKDLOPZZKB-UHFFFAOYSA-N	317.740	1.654	50	20	DDGD	
Cc1cc(C)c2c(c1)C(=NNC(=O)C1CCOCC1)C(=O)N2	1331993758	HAZDROMOKYMMIW-UHFFFAOYSA-N	301.346	1.502	50	20	DDGD	
O=C(NNc1cccnn1)C(=O)Nc1ccc2ncccc2c1	1338694322	SGQUKHIGCYTLBH-UHFFFAOYSA-N	308.301	1.107	50	20	DDGD	
COC(=O)C(=O)NN=Cc1c(Cl)cccc1N1CCCC1	1336289316	GQFWXVUAOHIWKW-UHFFFAOYSA-N	309.753	1.563	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)C(=O)Nc1cncnc1C	1262711337	UPJBZXXKOBOEMW-UHFFFAOYSA-N	313.361	1.738	50	20	DDGD	
Cn1nncc1NNC(=O)c1cc2c(nc1O)CCC(C)(C)C2	1331392321	IDUAMHWNNYWFNV-UHFFFAOYSA-N	316.365	1.188	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CCCC(=O)OC(C)(C)C	1262153998	STUMEQLRHDAGKY-UHFFFAOYSA-N	317.455	1.792	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2Cc3cccnc3C2)cc1F	1602385010	OSEIXHMWQQFJCE-SNVBAGLBSA-N	315.304	1.777	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)c2ccnc(-c3nn[nH]n3)c2)c1	1609398443	PKANRTDYVOGBAX-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12	1601045795	PPHIMXVLIGGMRR-YVGDKSCBSA-N	314.316	1.958	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC2(C(=O)O)CCCCCC2)cn1	1600945423	GDYYGQJDWNBYGZ-MDWZMJQESA-N	316.361	1.621	50	20	DDGD	
CO[C@@H](Cc1ccccc1)C(=O)NNc1ccc(C(=O)O)cn1	1606684734	BRIZHQNNLHIHFU-ZDUSSCGKSA-N	315.329	1.481	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1C(=O)O	1607810238	VPSMIRGZHXWJPE-ZWKOPEQDSA-N	302.330	1.752	50	20	DDGD	
O=C(NN=C1CCc2c(O)cccc21)[C@H]1CN2CCC[C@@H]2CO1	1549316475	GQVBFYYXQRQOGG-BDJLRTHQSA-N	315.373	1.022	50	20	DDGD	
Nc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)c(Cl)c1	1549319385	HRAALPXOBJMVDV-TZMCWYRMSA-N	322.796	1.236	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)[C@H]1CCC[C@@H](C(=O)O)C1	1610741096	NIBHZPOBTWIYIJ-WDEREUQCSA-N	314.345	1.964	50	20	DDGD	
Cc1coc(C=NNC(=O)[C@H]2CCCO[C@H]2c2nccn2C)c1	1550194069	QWSUMFYOWIWPPO-UONOGXRCSA-N	316.361	1.940	50	20	DDGD	
Cc1cc(NNC(=O)C2(C3(O)CNC3)CCC2)ccc1Cl	1579635892	NGCNVHNRQZXXPO-UHFFFAOYSA-N	309.797	1.596	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCCCC[C@H]2N)c1	1578877955	MYUZIYFKGIRKNL-UONOGXRCSA-N	305.378	1.824	50	20	DDGD	
C=C(Cl)C[C@@H](N)C(=O)NNC(=O)c1ccc(Cl)cc1O	1574856688	FBSIVCGUDTWCOS-SECBINFHSA-N	318.160	1.277	50	20	DDGD	
CC[C@H](NC)C(=O)NNC(=S)Nc1cccc(Cl)c1	1577172352	VTMFYPJAVJSFGO-JTQLQIEISA-N	300.815	1.656	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@H](N)C(C)(C)C)cc1	1573806024	APNKLLNUQWPFDW-LBPRGKRZSA-N	324.450	1.776	50	20	DDGD	
CC(=O)c1cncc(C(=O)NNc2ccc(C(=O)O)cn2)c1	1589318620	LTXMMIWRJUBGJL-UHFFFAOYSA-N	300.274	1.134	50	20	DDGD	
C[C@H](CC(=O)O)NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	1589001954	PWCBOZHYFMYKIG-LDWCXNJISA-N	323.393	1.396	50	20	DDGD	
C=CC(=O)N(CC)CC(=O)NNc1ccc(C(=O)O)c(F)c1	1588655268	QJKOWNSQBDNZQC-UHFFFAOYSA-N	309.297	1.002	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCOC	1847866767	JVSQZYDYGQRYBS-AGIUHOORSA-N	316.829	1.632	50	20	DDGD	
CC[C@H](C)[C@H](O)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1841632613	QSKQZCVAXMMIJE-GARJFASQSA-N	320.792	1.131	50	20	DDGD	
CC(=O)C[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1846326652	ICSLYACOXYNXDA-ONGXEEELSA-N	318.776	1.339	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@](C)(OC)C1CC1	1599376777	ZCFAUYWSBJSTOZ-HNNXBMFYSA-N	308.334	1.652	50	20	DDGD	
O=C(/C=C/[C@@H]1CCCO1)NNc1cccc(-c2nn[nH]n2)c1	1592795252	POIVBGCCZVJKOK-SYTKJHMZSA-N	300.322	1.045	50	20	DDGD	
Cc1[nH]c(C(=O)NN=c2cc[nH]cc2Cl)c(C)c1C(=O)O	1599954080	VRXUNQFHWUOMHO-UHFFFAOYSA-N	308.725	1.557	50	20	DDGD	
C[C@H]1COCC[C@H]1NC(=O)NNc1ccc(C(=O)O)c(F)c1	1594602585	FKVRRQGLBYBVFD-QPUJVOFHSA-N	311.313	1.575	50	20	DDGD	
Cc1cccc(NNC(=O)c2cccc(-c3nn[nH]n3)c2C)n1	1592235357	KIGPXLWCBNMWSE-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
C[C@H]1[C@@H](CN(CCC(=O)O)CC(=O)OC(C)(C)C)[C@@H]1Cl	1594187754	KXRJPEDYEAYMIB-OPQQBVKSSA-N	305.802	1.978	50	20	DDGD	
CC(C)n1ccc(C=NNC(=O)c2cccc(C(=O)O)c2)n1	1776095886	ANJOKRBICJWXHT-UHFFFAOYSA-N	300.318	1.926	50	20	DDGD	
CCOC(=O)NN=Cc1cn(C2CCOCC2)nc1C(=O)O	1776028608	OMUBQFKRMJKDGZ-UHFFFAOYSA-N	310.310	1.013	50	20	DDGD	
CCn1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)nn1	1776129973	BWQWJHNVWNASAP-YRNVUSSQSA-N	311.301	1.542	50	20	DDGD	
O=S(=O)(NCCOCCO)c1ccc(CCCCl)cc1	158096270	JDEDJJVLDYHXAZ-UHFFFAOYSA-N	321.826	1.145	50	20	DDGD	
CCCOCC(=O)NNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1	151265378	VRHVDAHATFCCTC-UHFFFAOYSA-N	320.324	1.403	50	20	DDGD	
COc1ccnc(NNC(=O)c2cnn(CCC(C)C)c2C)n1	155610335	PZKPUFGKUZTIFF-UHFFFAOYSA-N	318.381	1.793	50	20	DDGD	
COc1cccc(OC)c1CC(=O)NNc1nccnc1Cl	153927652	YRPMYZLCKYSQRY-UHFFFAOYSA-N	322.752	1.833	50	20	DDGD	
CN(CC(=O)NNc1ccc(C#N)cc1)C(=O)c1cccs1	155286558	FSESWESOHZDZTG-UHFFFAOYSA-N	314.370	1.835	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)s1	154691963	ZXKXJLWSPPWNNW-WCQGTBRESA-N	323.418	1.814	50	20	DDGD	
COc1ccc(NNC(=O)c2sc(N(C)C)nc2C)nc1	159564537	QYPSAOXATMZTNL-UHFFFAOYSA-N	307.379	1.678	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)N(C)NC(=O)OCc1ccccc1	869374483	IYSXGGCOSVLZIH-CYBMUJFWSA-N	307.350	1.201	50	20	DDGD	
CN(CC(=O)NC1CC1)/C(=C/C#N)c1cccc([N+](=O)[O-])c1	7791885	DBJINFNULIOXNX-VGOFMYFVSA-N	300.318	1.670	50	20	DDGD	
O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)c1cccnc1	10158901	HHQMCJXJWZSOHB-UHFFFAOYSA-N	323.312	1.048	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2oc(C)nc2C)cc1	175186249	KIJAIHZAZSLDGR-UHFFFAOYSA-N	302.334	1.473	50	20	DDGD	
COc1ccc(CNC(=O)NNc2cccnn2)cc1Cl	178124873	KNOGUUYCHYPQJW-UHFFFAOYSA-N	307.741	1.965	50	20	DDGD	
COc1ccc(CNC(=O)NNc2nc(C)cc(C)n2)cc1	25100204	MMFNJEOIIFOHES-UHFFFAOYSA-N	301.350	1.928	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cc(Cl)c(Cl)[nH]1	103456828	OURALTJNJMKCMW-UHFFFAOYSA-N	313.144	1.720	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2CCN(CC(F)(F)F)C2)nn1	106336597	XRGARBQWMGFWMO-SECBINFHSA-N	318.303	1.048	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cc(F)c(F)c(F)c1	103422916	FHBPBBZSTIGVHZ-UHFFFAOYSA-N	309.247	1.503	50	20	DDGD	
CC(C)[C@H]1CCC[C@H](NC(=O)NNC(=O)c2cnn(C)c2)C1	118071901	QQOGXIGGDGPPFX-AAEUAGOBSA-N	307.398	1.579	50	20	DDGD	
COc1ccc(C(=O)N2CCOCC2)cc1NC=C(C#N)C#N	62929930	ZPYJRPRNXSQONQ-UHFFFAOYSA-N	312.329	1.511	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1cnc(C)cn1	24628004	KHBFFQGLYHLOBW-UHFFFAOYSA-N	320.736	1.522	50	20	DDGD	
O=C(CCN1C(=O)CCC1=O)NNc1cccc2cnccc12	178491259	UKUYJCWOHRZOII-UHFFFAOYSA-N	312.329	1.217	50	20	DDGD	
C[C@H]1CC[C@H](CCC(=O)NNC(=O)c2cccc(N(C)C)c2)O1	174922274	PENAMIYWPGDFPF-SWLSCSKDSA-N	319.405	1.861	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cc[nH]c2)cc1	68229862	SATZMACGTUGXCI-NSHDSACASA-N	317.345	1.642	50	20	DDGD	
CCn1c(C(=O)NNC(=O)c2cnn(C)c2)cc2ccccc21	117681119	HCTSUHNLCKPCKE-UHFFFAOYSA-N	311.345	1.470	50	20	DDGD	
CCc1cc(NNC(=O)c2cc(C)n[nH]2)nc(-c2ccccn2)n1	115155839	VQSQHNSUALDAQF-UHFFFAOYSA-N	323.360	1.889	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1ccc(Cl)nn1)C(C)(C)C	174416851	XTVSWJJNXGAYHN-QMMMGPOBSA-N	301.778	1.817	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cccnc1	68764950	BOCRJNVXUUUDJO-SNVBAGLBSA-N	303.293	1.449	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H]2C[C@H]2C2CC2)c1	177610603	XCOUZIWIAFUJEL-UONOGXRCSA-N	302.374	1.876	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NCC(F)(F)F)cccc1[N+](=O)[O-]	60415446	MBZCMLAADPFAJH-UHFFFAOYSA-N	320.227	1.410	50	20	DDGD	
CCCc1[nH]nc(C(=O)NNc2cc(C)nc(C)n2)c1[N+](=O)[O-]	128694713	KDQJGXTXGOHFQZ-UHFFFAOYSA-N	319.325	1.434	50	20	DDGD	
CNc1nc(C(=O)NNc2ccc(C(F)(F)F)nn2)cs1	124071233	FLRPWOSTCNAQSQ-UHFFFAOYSA-N	318.284	1.751	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1cccc(-n2ccnn2)c1	183265124	GRFONCZTINCTBO-UHFFFAOYSA-N	323.316	1.129	50	20	DDGD	
CC(C)OCCNC(=O)NNC(=O)CCCc1ccccc1	183309757	PAIQMCPBYVZHHL-UHFFFAOYSA-N	307.394	1.765	50	20	DDGD	
C[C@@H]1CCCN(C(C)(C)CNC(=O)NNc2cccnn2)C1	77349370	JLGWNASOIRQCAR-GFCCVEGCSA-N	306.414	1.613	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnn(CC(C)C)c1CC	123112104	QIRNDNWNWAVLHI-UHFFFAOYSA-N	309.414	1.846	50	20	DDGD	
O=C(CSCC(F)(F)F)NNc1ccc(Cl)nn1	121113977	DBIJHQAHRGSABV-UHFFFAOYSA-N	300.693	1.869	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)COc2ccc(F)cc2)ccn1	183433569	JXGRKBYPXYBHCB-UHFFFAOYSA-N	318.308	1.761	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)cn1	75570296	UIOPBDJHGKJMLY-UHFFFAOYSA-N	314.349	1.318	50	20	DDGD	
O=C(NNc1ccncc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1	180504428	HQOVOEIPIRZPOA-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)CCc2ccco2)cc1	71032208	CHSJJRHVVXPDDW-UHFFFAOYSA-N	317.345	1.480	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@H](C)c2ncc(C)s2)n1	183189208	WEJZKWXVJOUMEP-MRVPVSSYSA-N	322.394	1.680	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NNc1ncnc2ccsc12	132869271	NYYNVBBVTPNOFT-VIFPVBQESA-N	322.394	1.362	50	20	DDGD	
Cc1c([C@H](C)NC(=O)NNc2cncc(Cl)n2)cnn1C	194253087	FCEGMZFBOHJCRF-ZETCQYMHSA-N	309.761	1.559	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cc(C(F)(F)F)ccc1F	192918960	KHUKKHRYRAECTF-UHFFFAOYSA-N	308.231	1.376	50	20	DDGD	
CC(C)CCNC(=O)NNC(=O)c1cc(Br)c[nH]1	48396996	BGRCCUUWPSHSIY-UHFFFAOYSA-N	317.187	1.767	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)c1	88422370	OQOCEEHLMXBVEE-IIAWOOMASA-N	320.437	1.967	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCCn2cccc2)c1	84456711	GBWAGKGIGJJRKC-UHFFFAOYSA-N	316.361	1.206	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNc2ncccn2)cc1OC	134400637	PUXVJPUEJRTOEJ-UHFFFAOYSA-N	316.361	1.915	50	20	DDGD	
COC(=O)NNC(=O)c1nn(-c2ccccc2)c2c1CCC2	192626407	WWKPVADWQAHMSE-UHFFFAOYSA-N	300.318	1.362	50	20	DDGD	
ICCN1CCC[C@H]1CN1CCOCC1	190916835	ONTCLVNEYSRNBQ-NSHDSACASA-N	324.206	1.218	50	20	DDGD	
CNC(=O)c1cccc(NC(=O)NNC(=O)c2ccccc2)c1	92015943	KLQDVISNNRMHDP-UHFFFAOYSA-N	312.329	1.513	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]2CCCC[C@H]2N1	269106501	VTDFUSLBTCJNHE-WZRBSPASSA-N	304.350	1.959	50	20	DDGD	
CCC(CC)n1ccc(C(=O)NNC(=O)NCc2ccco2)n1	269292370	FTAKEIIPLKJJFU-UHFFFAOYSA-N	319.365	1.981	50	20	DDGD	
O=C(NC[C@H]1CCOc2ccccc21)NNC(=O)C1CCC1	264832175	JJPJRFWWZLYIIT-GFCCVEGCSA-N	303.362	1.683	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C2(O)CCC2)ccc1OC(C)C	274628484	VBJNEFHNWFCFOY-UHFFFAOYSA-N	322.361	1.158	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NOCCC(F)(F)F	275287056	NXOXAAUBBBRSJP-UHFFFAOYSA-N	305.256	1.823	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)c1	274326401	YHDCKSVBZMYQSF-UHFFFAOYSA-N	309.322	1.190	50	20	DDGD	
C[C@@](O)(CC(=O)NNC(=O)CCc1ccccc1O)C1CC1	270413703	JEFHSLCIXCNVPZ-MRXNPFEDSA-N	306.362	1.023	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC(OC[C@@H]2CCOC2)CC1	368252846	KCOZXKIEZGYITQ-MNWMYKRDSA-N	308.378	1.474	50	20	DDGD	
COCCOc1cccc(/C=C/C(=O)NNC(=O)C2CC2)c1	275438388	PVEWPDRKUSLLIG-VMPITWQZSA-N	304.346	1.282	50	20	DDGD	
COc1ccnc(NNC(=O)C[C@H]2C[C@@H](C(C)=O)C2(C)C)n1	273534037	RRZBAQALPSFSBJ-MNOVXSKESA-N	306.366	1.570	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(C(=O)OCC)cc1O	271398930	CNSVETZZDCGJGU-PKNBQFBNSA-N	304.302	1.951	50	20	DDGD	
CC(C)(C)OC(=O)CCC(=O)NNc1nc2ccccn2n1	277853232	ZVDYPXIJAVRDGY-UHFFFAOYSA-N	305.338	1.294	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1sccc1CC	276577429	OANNKGWBMUGULQ-UHFFFAOYSA-N	314.407	1.861	50	20	DDGD	
CC(C)(CCCO)CNC(=O)NNc1ccc(Cl)nn1	271764498	HODUYHRBEOEAMP-UHFFFAOYSA-N	301.778	1.555	50	20	DDGD	
CN(CCCNC(=O)CN1CC=C(C#N)CC1)c1ccccc1	272651017	NAFBGEGTCDJCOW-UHFFFAOYSA-N	312.417	1.785	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc(OCCC(N)=O)cc1	273561437	IHMQVUSLSBFBKG-UHFFFAOYSA-N	322.365	1.140	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H](C2CCOCC2)C1)c1ccccc1	371108156	IEERCXBEGYBYQE-HNNXBMFYSA-N	317.389	1.790	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNc1nnc(-c2ccccn2)s1	377094949	PXCILVCMWXSZDH-MWLCHTKSSA-N	321.406	2.104	50	20	DDGD	
CC(=O)NNC(=O)CSCc1ccc(Br)cc1	280970033	ADGXMEIZWVUFHV-UHFFFAOYSA-N	317.208	1.850	50	20	DDGD	
COC(=O)N(C)NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-]	286487837	VRSHRCGIUWSWDZ-UHFFFAOYSA-N	311.294	1.402	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)NCC(F)(F)F)c1	281329517	UBGATWVVAOTENJ-SECBINFHSA-N	319.283	1.655	50	20	DDGD	
C[C@](O)(CSc1cccc(F)c1)C(=O)NNC(=O)C1CC1	285143208	XBQDFYXGUCZOQP-AWEZNQCLSA-N	312.366	1.226	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H]2CCC(=O)c3ccccc32)n1	284199352	ZBNAORIFRHDXPN-GFCCVEGCSA-N	312.329	1.689	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1ccncc1)c1ccsc1	801067884	WRBDOYIQTVQWOM-JTQLQIEISA-N	304.375	1.777	50	20	DDGD	
COc1cccc([C@H](O)C(=O)NNC(=O)Nc2ccccc2)c1	801986497	NRRVFBWJPKICIP-AWEZNQCLSA-N	315.329	1.582	50	20	DDGD	
Cn1ccc2ccc(NC(=O)NNC(=O)[C@@H]3CCCCO3)cc21	296820740	JOUCVNXHBYVCFI-AWEZNQCLSA-N	316.361	1.900	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1C(=O)NNc1cccc(F)n1	804771810	OWJVHNDHHRLLSN-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
Cc1nc(CCCC(=O)NNC(=O)N=c2cc[nH]cc2)cs1	802032173	NUDHEMKHOUBSHB-UHFFFAOYSA-N	319.390	1.444	50	20	DDGD	
O=C(CNC(=O)c1cccc(Cl)c1)NNc1ncccc1F	804215467	RLJVBUIPHHHODV-UHFFFAOYSA-N	322.727	1.747	50	20	DDGD	
CCOc1ccc(/C=C/C(=O)NNC(=O)N(C)C)cc1OCC	299366931	JWZHIOKYLNGRBE-CSKARUKUSA-N	321.377	1.800	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NNC(=O)[C@H]1CCCCO1	295600339	PVAYNEXJWVYPNR-IJLUTSLNSA-N	308.403	1.877	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)cn1	802014427	NSBNNYXVDUTXFT-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
C[C@H]1CN(CCOC(=O)/C(C#N)=C\c2ccc(O)cc2)CCO1	800180233	ZDWSEWISDXDCFT-OJNRTJSBSA-N	316.357	1.563	50	20	DDGD	
O=C(Cc1cc2ccccc2o1)NNC(=O)N=c1cc[nH]cc1	802026920	YCUXEYYVKCKINX-UHFFFAOYSA-N	310.313	1.645	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NNC(=O)N=c1cc[nH]cc1	802030443	FBUHQCOOQBHFEB-TZMCWYRMSA-N	320.393	1.642	50	20	DDGD	
COCCOc1cc(C(=O)NNc2cccc(F)n2)ccn1	804769467	HDOVRHRCNYUMOK-UHFFFAOYSA-N	306.297	1.398	50	20	DDGD	
C[C@H](CC(=O)NNc1ccc(-n2ccnc2)nn1)c1ccncc1	804954848	KGEUFCLARWFPHY-GFCCVEGCSA-N	323.360	1.694	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@@H]1C[C@H]1c1cccc(F)c1	296402417	QSEWESJLSJUKCD-MJBXVCDLSA-N	321.352	1.581	50	20	DDGD	
CN1N=C(C(=O)NNc2cc(Cl)nc(Cl)c2)CCC1=O	819741525	NPBACUFSJRZQCO-UHFFFAOYSA-N	316.148	1.440	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1cccc(OCCCC(=O)O)c1	814832877	XKIMTEOLTSLSSD-UHFFFAOYSA-N	321.377	1.332	50	20	DDGD	
CC(C)NC(=O)NNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-]	814652782	LDLWDCRGJQUGDU-UHFFFAOYSA-N	308.338	1.611	50	20	DDGD	
COC(=O)C(C)(C)CC=NNC(=O)CCN1CCCCCC1	814758369	RYDTTZIPLRZMEW-UHFFFAOYSA-N	311.426	1.944	50	20	DDGD	
CC(=NNC(=O)COc1ccc(F)cc1)c1cc(CO)on1	812225431	ZDOCYSZJHOUSDA-UHFFFAOYSA-N	307.281	1.225	50	20	DDGD	
CC(C)(C)c1nnc(NC(=O)NNc2ncncc2F)s1	814619741	RKLUVYGUFYEPDE-UHFFFAOYSA-N	311.346	1.913	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCC[C@H]2C)cc1	819018879	ZAWVXCUVEXJVIT-OCCSQVGLSA-N	317.389	1.907	50	20	DDGD	
C[C@@H](C(=O)NNc1ccccc1S(C)(=O)=O)C(C)(F)F	815827580	GKMVFHCYYZPRGG-QMMMGPOBSA-N	306.334	1.825	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1ccc(C(=O)O)cc1	814952325	UZYWWRQYYGWRAX-UHFFFAOYSA-N	314.297	1.620	50	20	DDGD	
CN(NC(=O)Nc1ccc(CN2CCCC2=O)cc1)C1CC1	824082837	MPUIRTKSLHOUQY-UHFFFAOYSA-N	302.378	1.940	50	20	DDGD	
C=CCC1(C(=O)NNC(=O)CNC(=O)c2ccco2)CCCC1	825582141	WLRTZAPNULGPCB-UHFFFAOYSA-N	319.361	1.293	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccccc1C(F)(F)F	495367235	NVFOTUNIHGXBNB-UHFFFAOYSA-N	319.239	1.421	50	20	DDGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCN2C(=O)OC[C@H]2C1	493757289	RDGAEGXXGHMRKE-AKFCNNOESA-N	314.301	1.596	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cnn(-c2ccccn2)c1N	497124326	DLBRDVVWCXTBEO-UHFFFAOYSA-N	318.337	1.019	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1ccc(-c2nn[nH]n2)s1	823281002	LALSQZNFCQYGKX-UHFFFAOYSA-N	322.741	1.129	50	20	DDGD	
COC(=O)N1CCC(C(=O)NNc2nc(C)cc(C)n2)CC1	820523372	JCCYPFZYDAQKHM-UHFFFAOYSA-N	307.354	1.015	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)c1cn(C)c2ccccc12	822228519	XSZHBANLVZGIPR-AWEZNQCLSA-N	303.362	1.754	50	20	DDGD	
COc1ccccc1/C(C)=C\C(=O)NNC(=O)NCC1CC1	727373586	HEXADVUMAQEPBS-LUAWRHEFSA-N	303.362	1.839	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@@H]2CCO[C@H](C)C2)cc(C#N)n1C	490813336	OWEGVYMBCREXNQ-MLWAATNYSA-N	312.373	1.796	50	20	DDGD	
O=S(=O)(CCl)N1CCCN(Cc2ccc(F)cc2)CC1	829854032	GFADWQKHBSDVQT-UHFFFAOYSA-N	320.817	1.860	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@@H](Cc2ccc(F)cc2)C1	827859806	OGYVUUVVNQQKDX-AWEZNQCLSA-N	321.396	1.494	50	20	DDGD	
CC1(C)OC[C@H](CNC(=O)/C(C#N)=C/c2ccc(O)cc2)O1	491157898	BGFCZPAMXBRZRZ-GMMCIKNFSA-N	302.330	1.567	50	20	DDGD	
CCC(=O)NN=Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1	825034049	DFPRQHJPTFTIOQ-UHFFFAOYSA-N	324.348	1.127	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)Cc1ccc(Br)cc1	823992784	AUQWIWRKZJRSCG-VIFPVBQESA-N	301.184	1.335	50	20	DDGD	
C[C@@H](CNCc1cccc(B(O)O)c1)COCc1ccccc1	585018394	KOFCHOVORQEVFM-HNNXBMFYSA-N	313.206	1.309	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccn(CCc2ccncc2)n1	494657945	CWFFCQFKOZBNHR-UHFFFAOYSA-N	318.337	1.303	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(C(=O)N(CC)CC)cc1	823856639	WGVTWIWHGYOUAA-UHFFFAOYSA-N	307.394	1.128	50	20	DDGD	
CN(C/C=C/C(=O)NN=c1cc[nH]cc1Cl)CC(F)(F)F	492832155	QZVOXJNTSGJCKQ-NSCUHMNNSA-N	322.718	1.650	50	20	DDGD	
COc1cccc(S(=O)(=O)NNC(=O)c2ccccc2F)c1	727350249	VSGWDGYXJHPUFE-UHFFFAOYSA-N	324.333	1.458	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H](C)N(C(=O)OC(C)(C)C)C1CC1	495960287	FWMNYPTYQOKMIC-SNVBAGLBSA-N	313.398	1.578	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C[C@@H]1CC[C@H]2C[C@H]12	825529719	MSADZQDQMBFNRM-OBJOEFQTSA-N	302.374	1.821	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)NNc1ccccc1)C2	496249728	WLERQHFNVCTVPK-UBHSHLNASA-N	301.346	1.773	50	20	DDGD	
OB(O)c1ccccc1CNC[C@H]1CCCC[C@H]1C(F)(F)F	585031001	ODMGMRPCSILKOF-DGCLKSJQSA-N	315.144	1.825	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cccc(F)c1O	827493630	RYXKFTLONATXKG-UHFFFAOYSA-N	302.174	1.963	50	20	DDGD	
CCN(CC)C(=O)c1ccc(C(=O)NN(C)C(=O)OC)cc1	495693717	RUOSYQMVFGHJFI-UHFFFAOYSA-N	307.350	1.512	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1	585047615	DWRIPYLEAXLYHJ-QWHCGFSZSA-N	301.117	1.577	50	20	DDGD	
C[C@H]1OC(=O)N[C@@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	497120655	RLTJVRVUEQFIBG-ANLVUFKYSA-N	314.685	1.188	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@@H]3CCC(=O)N3C)nc12	828358070	HEAPVZYPQNJYFO-VIFPVBQESA-N	304.375	1.669	50	20	DDGD	
O=C(NCB(O)O)[C@@H](Sc1ccccc1F)c1ccccc1	585059291	IBAFONTWTQUXSN-AWEZNQCLSA-N	319.166	1.787	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(C)cc1SC	839528127	HYZZFKXDDAZQJE-UHFFFAOYSA-N	324.406	1.348	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CSCC(C)=O)c(F)c1	837206501	MWQCBGXIHRTMAT-UHFFFAOYSA-N	314.338	1.378	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@H]1CCCCO1)[C@H]1C[C@H]2CC[C@H]1C2	837320431	HSQXDGAVNJDOTH-QSLWVIQJSA-N	309.410	1.711	50	20	DDGD	
C[C@]1(C(=O)NC[C@H]2CCCN2CCCO)C[C@@H]1Br	908527830	WOQKWEIEOXKRJU-MDZLAQPJSA-N	319.243	1.123	50	20	DDGD	
O=C(NNc1cccc(Br)n1)[C@H]1[C@@H]2CCC(=O)[C@@H]12	909545965	RJJZZXQWLOOWKE-DADVEIPYSA-N	310.151	1.512	50	20	DDGD	
CC(C)(C)c1csc(CCNCc2ccc(B(O)O)o2)n1	585021818	DIYAXRSFIGDUPC-UHFFFAOYSA-N	308.212	1.046	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)c2c[nH]nc2C)c2ccccc21	732083951	AEHGHQSRHIKALN-UHFFFAOYSA-N	311.345	1.768	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNc2cccc(C(=O)OC)c2)C1	838749597	OOCYDJWLZRAEPW-BETUJISGSA-N	307.350	1.667	50	20	DDGD	
CC(C)C(=O)N1CCC[C@@H]1C(=O)NNc1cccc(C(=O)O)c1	833462711	PZUHGSDNYQLNGT-CYBMUJFWSA-N	319.361	1.475	50	20	DDGD	
O=C(NNc1cccnn1)c1ccc(-n2ccnc2S)cc1	736701975	ONKGXNUXGMQQQZ-UHFFFAOYSA-N	312.358	1.708	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CNC(C(C)C)C(C)C	839545868	ZKVVEXPVKLFUOS-UHFFFAOYSA-N	319.449	1.955	50	20	DDGD	
CN(CCNC(=O)NNC(=O)CCc1ccccc1)C1CC1	732889818	RZQKOPXDVTWCOF-UHFFFAOYSA-N	304.394	1.044	50	20	DDGD	
COc1cc(OC)c(OC)cc1C=NNC(=O)c1cnn(C)c1	735414129	VUZDIWOYFLESOT-UHFFFAOYSA-N	318.333	1.210	50	20	DDGD	
CC[C@H](Nc1ccccc1)C(=O)NNC(=O)[C@H]1CCCCO1	833250700	KELTXJPZRJMBQH-UONOGXRCSA-N	305.378	1.594	50	20	DDGD	
C[C@H]1CC[C@@H](CNC(=O)NNC(=O)CCc2ccccc2)O1	838744637	KSDKSADLVHWQTB-JSGCOSHPSA-N	305.378	1.517	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C#CC2CC2)cc1	837310706	PHORHEZFDRNXIH-GFCCVEGCSA-N	316.357	1.413	50	20	DDGD	
OB(O)c1ccc(CNCCCCOCc2ccccc2)o1	585021480	VNSNXVSXGMKNRP-UHFFFAOYSA-N	303.167	1.046	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)[C@H](C)C(C)(C)C)C[C@@H](C)O1	734542909	LEJQAZPMNXMDNH-XQQFMLRXSA-N	313.442	1.315	50	20	DDGD	
C[C@@H](CBr)CN1CCS(=O)(=O)C[C@H]1C1CC1	831386778	PUQBZJMZCPSDRM-ONGXEEELSA-N	310.257	1.526	50	20	DDGD	
COC(=O)C12CC(C(=O)OC[C@H](C)CBr)(C1)C2	830517634	BNEDNSITQFHHJO-HUUUCTMMSA-N	305.168	1.904	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@@H](C)CSC)cc1	836315240	XFEQGAGKAZOIJF-VIFPVBQESA-N	312.395	1.782	50	20	DDGD	
O=C(NNc1cccc2c1CCCC2)C1(CO)CCOCC1	837486887	BNAXHIWOHVSEBW-UHFFFAOYSA-N	304.390	1.798	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2ccc(Cl)c([N+](=O)[O-])c2)cn1	735412030	HSXJCUWPSLLRKP-UHFFFAOYSA-N	307.697	1.746	50	20	DDGD	
N#Cc1ccc(CNC(=O)NNC(=O)[C@@H]2CCCCO2)cc1F	836658020	HKXCPKAHYYSWRI-ZDUSSCGKSA-N	320.324	1.097	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N(CC1CCC1)c1ccccc1	584961568	WVNQEIHXUGRPOC-UHFFFAOYSA-N	309.174	1.813	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(OCCOC)cc1	732063402	PXJYLUJFAKRSCU-UHFFFAOYSA-N	309.366	1.456	50	20	DDGD	
CO[C@H]1COCC[C@@H]1CNC(=O)NNc1cccc(C#N)c1	838658001	GQXRXVGEVXXKHK-OCCSQVGLSA-N	304.350	1.236	50	20	DDGD	
COc1ccc2c(c1)OC[C@H](C(=O)NNC(=O)C1CCC1)C2	732141522	SDPKQAIWALDLCW-GFCCVEGCSA-N	304.346	1.194	50	20	DDGD	
CCCN(C)CC(=O)NNC(=O)Cn1ccc2ccccc21	730285054	GVHSDILPTAZSGV-UHFFFAOYSA-N	302.378	1.131	50	20	DDGD	
CON1CCC(=NNC(=O)CSc2nc(C)cc(C)n2)CC1	834922073	XRTJHDAFUCHLRH-UHFFFAOYSA-N	323.422	1.315	50	20	DDGD	
CC[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1c[nH]nc1C	748309608	ORULOJQMVQQQNK-GFCCVEGCSA-N	320.324	1.476	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cc(C2CC2)ccn1	831822894	QDZBQLXLJOJXGC-CABZTGNLSA-N	304.350	1.537	50	20	DDGD	
O=C(Cc1ccc(NC(=O)C2CC2)cc1)NNC(=O)NC1CC1	742585681	LKXRVPIJEWTDPJ-UHFFFAOYSA-N	316.361	1.070	50	20	DDGD	
COc1c(C(=O)NNc2ccc(F)c(F)c2F)c(C)nn1C	748216135	XFSNHGWUZBLSGW-UHFFFAOYSA-N	314.267	1.911	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccc(OC(F)(F)F)cc1	840924985	IFFXVBMIJYEDED-UHFFFAOYSA-N	321.255	1.998	50	20	DDGD	
O=C(NNc1cc(F)ccc1Br)C1(O)CCC1	840532398	ROWRVEZKMSXFES-UHFFFAOYSA-N	303.131	1.946	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1occc1COc1ccccc1	910175624	QBLMFVMYRLYGHB-LBPRGKRZSA-N	304.346	1.816	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(Cl)c(F)c1	843661977	PBWLYNCALXSNEV-IONNQARKSA-N	300.717	1.665	50	20	DDGD	
CCC1(CNC(=O)NNc2cncc(Cl)n2)CCOCC1	745932285	WHLHGKIAEKSCEF-UHFFFAOYSA-N	313.789	1.963	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H]1CCc2cncn2C1	844137549	TWZWJIQSYWMETL-LLVKDONJSA-N	300.366	1.502	50	20	DDGD	
CC(=NNC(=O)c1nn(C)c(=O)c2ccccc12)c1ccc[nH]1	916315944	DRIVKFHJFIOWIF-UHFFFAOYSA-N	309.329	1.416	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H](C#N)CC)cc1	845089302	WTLNGHZNZWFGDW-VXGBXAGGSA-N	319.361	1.550	50	20	DDGD	
CC(=O)NCCCNC(=O)NNc1ccc(F)cc1Cl	914125916	OPHMWHIQJSODOR-UHFFFAOYSA-N	302.737	1.631	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@]1(C(=O)OC(C)(C)C)CC=CCC1	845084996	QMJVAKDYUGJMJJ-MRXNPFEDSA-N	310.394	1.858	50	20	DDGD	
C[C@H]1CC(=NNC(=O)COc2ccccc2C#N)CCN1C	741457044	MVMKBWHBVGQIBZ-LBPRGKRZSA-N	300.362	1.523	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCO2)c1cc2n(n1)CCC2	841605901	XQOZRUNOBWTWDL-UHFFFAOYSA-N	312.329	1.712	50	20	DDGD	
C=CCN(CCc1ccccc1)CC(=O)NNC(=O)C(C)(C)C	744391190	RRHUMYBLBAPIEG-UHFFFAOYSA-N	317.433	1.911	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1cc([N+](=O)[O-])ccc1O	743248643	LKXHXWKOHJOXLK-UHFFFAOYSA-N	320.261	1.038	50	20	DDGD	
COc1ccc(C=NNC(=O)Cn2nc(C)cc2C)c(F)c1	844570495	BOTPMYHYYQBHSS-UHFFFAOYSA-N	304.325	1.798	50	20	DDGD	
O=C(O)CSCC(=O)NNC(=O)c1ccc2ccccc2c1	740485272	FOTOXQBOCHXGOP-UHFFFAOYSA-N	318.354	1.419	50	20	DDGD	
O=C(NNc1cccc(F)n1)C1CCN([C@@H]2CCSC2)CC1	848069020	PPBZEBREVXTAOX-GFCCVEGCSA-N	324.425	1.881	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2C[C@H](C)CC2(C)C)cc1	746678205	NTEMXWKMTKAQJJ-CYBMUJFWSA-N	303.406	1.876	50	20	DDGD	
Cc1ccc([C@H](C)C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)o1	744354519	GMCPWPYXLMOLPL-RYUDHWBXSA-N	314.407	1.184	50	20	DDGD	
COC1(C(=O)NNc2ncc(Br)cn2)CCCC1	848322330	XLSAXEMFVIISGD-UHFFFAOYSA-N	315.171	1.641	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)nn1C(C)(C)C	843645618	NHDXYWHHJXJXKI-QWRGUYRKSA-N	308.382	1.133	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2cc(C3CC3)n(C)n2)n1	927646178	YBPHYQSKTDVIBI-UHFFFAOYSA-N	315.381	1.531	50	20	DDGD	
CCC(CC)[C@H](C(=O)NNC(=O)CC(C)C)N1CCOCC1	742041630	DSKSJENKEOTVFJ-OAHLLOKOSA-N	313.442	1.317	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)C(=O)NNC(=O)c1cccc(F)n1	856425052	XPLZEHUIVVMYDZ-ZETCQYMHSA-N	305.313	1.125	50	20	DDGD	
N#C/C(=C\c1cn(CC(=O)O)nn1)c1nc(-c2ccccc2)no1	759076392	SAWDMGQQUFZSEB-IZZDOVSWSA-N	322.284	1.477	50	20	DDGD	
Cc1nn(C)cc1CC(=O)NNc1ccc(C(F)(F)F)nn1	857476300	NFEMXUGTAZNVJC-UHFFFAOYSA-N	314.271	1.223	50	20	DDGD	
C=C[C@](C)(CC)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855834142	ZXVMWAOYLDZPDX-MRXNPFEDSA-N	311.426	1.679	50	20	DDGD	
CCOCCOCCCC(=O)NNC(=O)c1ccccc1F	854181414	VUXQRNQNPPATRW-UHFFFAOYSA-N	312.341	1.420	50	20	DDGD	
CC(C)CC1(C)CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1	858700567	OLIGCIFAQBBVDV-LBPRGKRZSA-N	324.425	1.154	50	20	DDGD	
N#Cc1ccc(NNC(=O)C[C@@H]2SC(=N)NC2=O)cc1Cl	753298751	ZQKBKLGHFVKJOH-VIFPVBQESA-N	323.765	1.211	50	20	DDGD	
CCOC(=O)C1CCC(=NNC(=O)Cn2nc(C)cc2C)CC1	750931571	QCYOIJRLZAAGIJ-UHFFFAOYSA-N	320.393	1.725	50	20	DDGD	
CC1(C)OCC(NC(=O)NC[C@]2(C)C[C@@H]2Br)CO1	856884827	KYIGRZBGEKYGCF-CABZTGNLSA-N	321.215	1.611	50	20	DDGD	
CC1(C)[C@H](O)C[C@H]1NC(=O)NC[C@@]1(C)C[C@@H]1Br	856951527	ACGDCPCXLILOBD-FNOROQBZSA-N	305.216	1.619	50	20	DDGD	
COCCN(CC(=O)N(C)C)C[C@H](CBr)C1CC1	859076246	CXQMCDZYUAFPOY-LBPRGKRZSA-N	321.259	1.444	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@@H](CO)CC2CC2)C[C@H]1Br	856960843	UQGVBKWUVHWJTA-DMDPSCGWSA-N	319.243	1.868	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1cccc(OC2CC2)c1F	853350473	JWMAJFYKDYLSFX-UHFFFAOYSA-N	302.309	1.783	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(Cl)cc1F)c1ncnn1C	922155727	BZWTZLULTZRNNH-ZETCQYMHSA-N	312.736	1.995	50	20	DDGD	
CC1CC(NC(=O)NNC(=O)Cc2c[nH]c3ccccc23)C1	753022800	QLNLHAZMIAQXMZ-UHFFFAOYSA-N	300.362	1.839	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCC2CC=CC2)c1	858093503	AJMJXDSKTYSIDS-UHFFFAOYSA-N	303.362	1.670	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCC2(N)CCCC2)c(F)c1	851671446	LRISXSHYVPQMTD-UHFFFAOYSA-N	324.356	1.510	50	20	DDGD	
CN(C(=O)COC(=O)/C(C#N)=C/c1ccc(O)cc1)C1CC1	754539108	GBTMRLCNXDFLKL-XYOKQWHBSA-N	300.314	1.463	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NNc1ncc(F)cn1	752687144	UNGXRUYOVKFOFZ-YHYXMXQVSA-N	301.256	1.805	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1cccnc1C1CC1	751532797	FDTSXFXBFXDLNQ-UHFFFAOYSA-N	300.318	1.696	50	20	DDGD	
C[C@@]1(CNC(=O)CCCn2ccnc2)C[C@H]1Br	857400357	ZDWSIZNZYYSLRW-PWSUYJOCSA-N	300.200	1.953	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@H]1CCCN1CC(F)(F)F	926514524	XAHZOAMMAIVWLD-SECBINFHSA-N	324.347	1.390	50	20	DDGD	
CN(C)C1(CNC(=O)NNC(=O)C(C)(C)c2ccccc2)CC1	923008373	YJQOZHSLCYVCDR-UHFFFAOYSA-N	318.421	1.389	50	20	DDGD	
N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)NC1CC1	920387514	OQRQMAGGUAQHSN-BJMVGYQFSA-N	315.285	1.552	50	20	DDGD	
CC(C)c1ccccc1C(=O)NNC(=O)N1CCN(C)CC1	854381150	FBYZZKYWLBDKHG-UHFFFAOYSA-N	304.394	1.412	50	20	DDGD	
CN(Cc1cnc[nH]1)C(=O)NC[C@@]1(C)C[C@H]1Br	856892804	JOLSPQHDPPWQKZ-MWLCHTKSSA-N	301.188	1.725	50	20	DDGD	
CCOCCn1cc(C(=O)NNc2ccccc2[N+](=O)[O-])cn1	856819221	ZWZCMKBSABJAGS-UHFFFAOYSA-N	319.321	1.585	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNC(=O)c1ccccc1O	759354331	GBPVNWMGYLLHSN-UHFFFAOYSA-N	300.318	1.128	50	20	DDGD	
CN(C)[C@H]1CCCC(=NNC(=O)c2cccc(C(=O)O)c2)C1	853425165	AYSBACGJOSGAQW-AWEZNQCLSA-N	303.362	1.975	50	20	DDGD	
O=C(NNC(=O)C(F)F)c1cc(F)ccc1Br	753667964	ADKJIZLKGWDYBY-UHFFFAOYSA-N	311.057	1.614	50	20	DDGD	
CC(C)(C)n1nnc(C=NNC(=O)Cc2ccccc2F)n1	853305008	KXTNAZNAHJTMOT-UHFFFAOYSA-N	304.329	1.260	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H]1CSCCS1)C1CC1	855099343	WSVGPDDEBSCKNH-CBAPKCEASA-N	305.494	1.129	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCC2SCCS2)c1	858621881	FMJNSUOQXYCTNX-UHFFFAOYSA-N	317.461	1.807	50	20	DDGD	
CCOCc1cccc(NC(=O)NNC(=O)c2cnccn2)c1	756311229	YRGFQZUHAOOGKH-UHFFFAOYSA-N	315.333	1.480	50	20	DDGD	
CC1(C)C[C@@]1(C(=O)O)C(=O)NNc1ncnc2ccsc12	852948638	GLLDEXAIVOLLIC-ZDUSSCGKSA-N	306.347	1.635	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NN=Cc2cnnn2C)c1C	751130218	UPWNRXSBCHLPKO-GFCCVEGCSA-N	301.350	1.350	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccc(N2CCCC2)c1	854185658	GEVXZUSATJWNCP-UHFFFAOYSA-N	304.419	1.582	50	20	DDGD	
NCCCC(=O)NNC(=O)c1nc2cc(Cl)ccc2s1	857764035	FISMEMHKGITARN-UHFFFAOYSA-N	312.782	1.450	50	20	DDGD	
CCCCC=NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1	755507314	CXPOKTMXCKLRIV-UHFFFAOYSA-N	311.407	1.843	50	20	DDGD	
Cc1cc(=NNC(=O)C2(CNC(=O)OC(C)(C)C)CC2)cc[nH]1	862514382	LGTHHTIENISIDB-UHFFFAOYSA-N	320.393	1.560	50	20	DDGD	
COCCOCC(=O)NNC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1	869912685	WOTCRDKCSUZCBM-DGCLKSJQSA-N	324.377	1.146	50	20	DDGD	
CNC(=O)CCCC(=O)NNc1nc2ccccc2[nH]c1=S	862292644	JUMCNEVHHNWVBR-UHFFFAOYSA-N	319.390	1.652	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)C1(c2ccccn2)CC1	866670134	BFEHCAVDXMSEDR-UHFFFAOYSA-N	309.369	1.812	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1	768526976	RJDWZZFREDOUFA-YGRLFVJLSA-N	315.439	1.418	50	20	DDGD	
CC(C)O[C@@H]1CC(=NNC(=O)[C@H]2CCS(=O)(=O)C2)C1(C)C	764905258	KCNJTROOZQTBQM-CMPLNLGQSA-N	316.423	1.117	50	20	DDGD	
CC(=NNC(=O)CSc1nc(C)cc(C)n1)c1ccnn1C	765992724	FZYKXKQBVWUPAW-UHFFFAOYSA-N	318.406	1.459	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1c(C)nc2ccnn2c1C	761135618	LVIPJMDMTZGXSJ-UHFFFAOYSA-N	323.356	1.729	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)C(C)(C)c2ccccc2)nn1	766444855	JHPLIFSTSAOQIL-UHFFFAOYSA-N	315.377	1.427	50	20	DDGD	
CC(C)[C@@H]1CNCCN1C(=O)NC[C@]1(C)C[C@@H]1Br	861654759	WANQRFHIRVLAKA-GVXVVHGQSA-N	318.259	1.799	50	20	DDGD	
C[C@@H](NNC(=O)CCc1ccccc1C(N)=O)C(F)(F)F	862316984	HSLBILPMECYUJL-MRVPVSSYSA-N	303.284	1.290	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NNC(=O)c1ccc(C#N)cc1	862993620	PHTOGSDTPPMTQV-ZDUSSCGKSA-N	300.362	1.192	50	20	DDGD	
CN1CCC(CCNS(=O)(=O)CC(C)(C)CCl)CC1	866682455	NUDGFFSJOPVBAI-UHFFFAOYSA-N	310.891	1.903	50	20	DDGD	
O=C(NN=CCC[C@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCS(=O)(=O)C1	768772875	KSMNOHLMKQCNRX-ZOBORPQBSA-N	312.435	1.740	50	20	DDGD	
Cn1cc(N2C[C@@H](C(=O)NNc3cccc(F)c3)CC2=O)cn1	860317422	VDQIMWUTIPNFEG-JTQLQIEISA-N	317.324	1.055	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc(CCOC(C)=O)c1	764710800	BISMBZCAGQRBAM-LLVKDONJSA-N	321.377	1.991	50	20	DDGD	
C[C@@H](NNC(=O)C[C@@H](NC(N)=O)c1ccccc1)C(F)(F)F	862307061	SLXPDOVLYOSBIS-PSASIEDQSA-N	318.299	1.358	50	20	DDGD	
COC(=O)c1ccc(/C=C\C(=O)NN[C@H](C)C(F)(F)F)o1	869377321	WWLPKVWNOACCFH-FXXDRWHHSA-N	306.240	1.651	50	20	DDGD	
C#CCSCCNC(=O)NNc1ncnc2ccsc12	765800461	RXORBRYPTNSTDG-UHFFFAOYSA-N	307.404	1.684	50	20	DDGD	
C=COc1ccc(NC(=O)NNC(=O)COCCOC)cc1	879875194	VRUOAGJVZKZKGC-UHFFFAOYSA-N	309.322	1.025	50	20	DDGD	
CC[C@@H](C)n1nc(C(=O)NNC(=O)c2cc(C)[nH]n2)cc1C	778405673	QOWXHGCKJMAMHP-SECBINFHSA-N	304.354	1.269	50	20	DDGD	
C[C@H](CBr)COC(=O)c1ccc2nnc(O)n2c1	770406925	FPSYLBOLYOZRJI-SSDOTTSWSA-N	314.139	1.623	50	20	DDGD	
C[C@](O)(CCNC(=O)NNC(=O)C1CCCC1)c1ccccc1	779699972	YMLRDKHERCWUFP-KRWDZBQOSA-N	319.405	1.805	50	20	DDGD	
COCCN(C)NC(=O)Nc1nnc(/C=C\c2ccco2)s1	879063243	LENKQMYZSMGBBD-WAYWQWQTSA-N	323.378	1.916	50	20	DDGD	
O=C(CC1(O)CCC1)NNC(=O)c1nc2ccccc2s1	874913680	HTDZFGDOPGQBTF-UHFFFAOYSA-N	305.359	1.362	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)CC[C@@H]1CCOC1	873769880	RWSPSURHQSBRSU-LLVKDONJSA-N	323.418	1.830	50	20	DDGD	
Cc1cc(C(=O)NNc2ccccc2S(C)(=O)=O)ccc1O	779533635	KQLSPALUNVKHRQ-UHFFFAOYSA-N	320.370	1.861	50	20	DDGD	
CO[C@]1(C(F)(F)F)CCCN(S(=O)(=O)CCCCl)C1	882105924	MORWNCIGEWBAPO-SECBINFHSA-N	323.764	1.988	50	20	DDGD	
COCCC1(C(=O)NNc2cccc(F)c2C(=O)OC)CC1	773619809	LFNLHGKKBBCWHA-UHFFFAOYSA-N	310.325	1.872	50	20	DDGD	
COc1cc(C)cc(C=NNC(=O)N2CCN(C)CC2)c1O	884453270	KCINHEZFWMTTBF-UHFFFAOYSA-N	306.366	1.000	50	20	DDGD	
Cn1nc2c(c1NC(=O)NNc1ccc(F)cn1)CCCC2	880621813	IKICMEOEVLCTJC-UHFFFAOYSA-N	304.329	1.982	50	20	DDGD	
Cc1nc(C)c(CNC(=O)NNC(=O)C2CCOCC2)s1	883460566	AKHPYNHAIMJDEC-UHFFFAOYSA-N	312.395	1.017	50	20	DDGD	
CC(C)n1cc(Cl)c(NC(=O)NNC(=O)c2cccn2C)n1	889554311	XVWWESJBBWNFJL-UHFFFAOYSA-N	324.772	1.922	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1F)[C@H]1CCCCS1(=O)=O	885151930	RHUPHNRCDCWCKO-SNVBAGLBSA-N	322.308	1.514	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccco1)c1ccc(Cl)cc1O	783529042	VQMJGCDWMQTCIE-UHFFFAOYSA-N	316.722	1.262	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ccc2nn[nH]c2c1	780737507	CHEIKCBVYOJQGZ-UHFFFAOYSA-N	311.301	1.501	50	20	DDGD	
O=C(NNS(=O)(=O)c1cccc2ccoc12)C1CCOCC1	882805196	SEOMWHWFOHYTRM-UHFFFAOYSA-N	324.358	1.169	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2ccccc2[N+](=O)[O-])on1	781415557	ATKPJJRYGNWTSQ-UHFFFAOYSA-N	306.234	1.126	50	20	DDGD	
Cc1noc(C)c1NC(=O)C(=O)NNc1cccc([N+](=O)[O-])c1	784829692	XNFHNXRKMKHVSD-UHFFFAOYSA-N	319.277	1.281	50	20	DDGD	
CC[C@@H]1CCC[C@@H](C=NNC(=O)Cc2cc(O)nc(O)n2)C1	783849398	LCCNEDAKULPOTH-GHMZBOCLSA-N	306.366	1.749	50	20	DDGD	
O=C(NCc1ccc(F)cc1)C(=O)NNc1ncncc1Cl	781824795	HFYVLZXRYIMKHX-UHFFFAOYSA-N	323.715	1.029	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccccc1-c1ccno1)C1CCC1	782258397	XYYZKSNLFNBDRI-UHFFFAOYSA-N	321.358	1.451	50	20	DDGD	
NC(=O)[C@H]1CCC[C@H](C(=O)NNc2cnc3ccccc3n2)C1	787272268	YQFOKCBLGPASPV-QWRGUYRKSA-N	313.361	1.365	50	20	DDGD	
CCNS(=O)(=O)c1ccc(C(=O)N2CC=C(C#N)CC2)cc1	780686759	OAXDOUPEQARRBN-UHFFFAOYSA-N	319.386	1.281	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(C)cc2OC)nc1	780964530	AOJSHAOSAKCVJR-UHFFFAOYSA-N	315.329	1.942	50	20	DDGD	
C#CCSCC(=O)NNC(=S)Nc1cc(C)ccc1C	899937381	ICHVOGQFWXKGBB-UHFFFAOYSA-N	307.444	1.987	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@]2(C)CCCOC2)c1	781104377	SULKENSIYOXCDM-INIZCTEOSA-N	322.361	1.282	50	20	DDGD	
CCCCn1nc(C)c(C=NNC(=O)C(C)(C)O)c1Cl	785461682	TYFZMGOBANNSQK-UHFFFAOYSA-N	300.790	1.866	50	20	DDGD	
COc1ccc(NNC(=O)C(OC)OC)c(C(F)(F)F)c1	897816597	QXDUMGKVRILJEJ-UHFFFAOYSA-N	308.256	1.776	50	20	DDGD	
C/C(=C(\F)C(=O)NNC(=O)[C@H]1COc2ccccc2O1)C1CC1	899936782	HCPAXZREOIMSDX-OZYJXZHSSA-N	320.320	1.627	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cc2c(s1)CCC2)C(=O)OC	790117340	YVOVTPKHZUPPDH-SECBINFHSA-N	310.375	1.197	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)Cc1ccc(OC)cn1	790010824	RFIRUBHAEVHPHD-UHFFFAOYSA-N	315.329	1.563	50	20	DDGD	
COc1cncc(C(=O)NNC(=O)c2cccc3ncccc23)n1	790595038	UNDSHPRAMOSSGK-UHFFFAOYSA-N	323.312	1.108	50	20	DDGD	
CN1CCC[C@H]1c1cc(C(=O)NNC(=S)NC(C)(C)C)n[nH]1	899999476	OIHJGNJFJVSTTC-NSHDSACASA-N	324.454	1.084	50	20	DDGD	
CN1CCN(C(=O)NN=C/C=C/c2ccc(F)cc2F)CC1	790182030	RQSVTJMSXSOYSC-FUYSDQOXSA-N	308.332	1.921	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCc2ccc(O)c(F)c2)n1	793041613	NGDRGGPPUJDFCD-UHFFFAOYSA-N	318.308	1.379	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(-c2ccccc2F)on1	798304548	AEOGEEFFCMEVDY-UHFFFAOYSA-N	320.349	1.776	50	20	DDGD	
Cc1cc(C(=O)NN=C2CCC[C@H](c3ccnn3C)C2)n[nH]1	790294648	VKVTWVSAGSRCAF-NSHDSACASA-N	300.366	1.895	50	20	DDGD	
NC(=O)c1ccccc1CCC(=O)NNc1cccnc1Cl	792647860	IWBSQSHKBVGHRW-UHFFFAOYSA-N	318.764	1.910	50	20	DDGD	
CC(C)[C@H]1CCCC(=NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1	794487907	FVWCFHRQVMVDMM-NWDGAFQWSA-N	300.424	1.740	50	20	DDGD	
COc1cccc2c1CCCC2=NNC(=O)N1CCOCC1	799478983	HVONWJRYFDSYPV-UHFFFAOYSA-N	303.362	1.777	50	20	DDGD	
Cc1ccc2c(c1)SCC2=NNC(=O)C(=O)N1CCCC1	797786584	CMXKZVMTWJUOBQ-UHFFFAOYSA-N	303.387	1.543	50	20	DDGD	
CC(C)(C#N)C(=O)NNC(=O)c1ccc(Br)cc1	1317944471	QCCIEKHQQYFAMW-UHFFFAOYSA-N	310.151	1.760	50	20	DDGD	
Cc1ccc2c(c1)S[C@@H](C(=O)NNC(=O)Cc1cc[nH]n1)C2	1320394291	GLKJVPLLZIWMBR-CYBMUJFWSA-N	316.386	1.125	50	20	DDGD	
CC(C)(C=NNC(=O)CCc1ccccc1O)S(C)(=O)=O	1320194199	YYKWOOLTKJOAIH-UHFFFAOYSA-N	312.391	1.250	50	20	DDGD	
O=C(CCO)NN=Cc1ccc(Br)c2cccnc12	1320691179	LPGSUPFGGSRRPZ-UHFFFAOYSA-N	322.162	1.830	50	20	DDGD	
CC(C)n1ncc2c1[C@@H](NC(=O)NNC(=O)C1CCC1)CCC2	1325555131	ZDCWFFGZTUSSMH-ZDUSSCGKSA-N	319.409	1.972	50	20	DDGD	
C[C@H](NC(=O)NNc1nncc(N)c1Cl)c1cccc(O)c1	1326577332	JUKDQNLWUTZRGU-ZETCQYMHSA-N	322.756	1.805	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc(N2CCCC2)nc1	1251527737	YFINCJSDHDZYGO-UHFFFAOYSA-N	307.423	1.199	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ncnc3ccsc23)no1	1333507226	FXDSNJQENSBOKA-UHFFFAOYSA-N	318.318	1.070	50	20	DDGD	
C[C@]1(C(=O)N[C@H](CO)CC(F)(F)F)C[C@@H]1Br	1332067068	BBFPCDHKJTVDIS-HAFWLYHUSA-N	304.106	1.589	50	20	DDGD	
COc1cc(C=NNC(=O)C2CCOCC2)c2c(c1)C[C@@H](C)O2	1333664681	MYONCFXNWXUUTB-LLVKDONJSA-N	318.373	1.895	50	20	DDGD	
C[C@H](NC(=O)NNc1nncc(N)c1Cl)[C@@H]1CCCOC1	1254358803	LMUUUVUTXSFIJK-JGVFFNPUSA-N	314.777	1.153	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](C(=O)NNC(=O)C(C)(C)c2ccccc2)C1	1335764546	BXRFPTLTIXNWKQ-TXEJJXNPSA-N	318.373	1.311	50	20	DDGD	
O=C(/C=C/c1nccs1)NNc1nc(-c2ccncc2)no1	1348618918	GCOBVIVKAIXMOP-OWOJBTEDSA-N	314.330	1.745	50	20	DDGD	
O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C1CCC(Cl)CC1	1527625927	POQDQLITNZQMGD-NWINJMCUSA-N	300.830	1.763	50	20	DDGD	
COc1cc(C(=O)NNc2ccc(CC(=O)O)cc2)sn1	1607079327	DIOUWBDFUQNWAS-UHFFFAOYSA-N	307.331	1.536	50	20	DDGD	
C[C@@H]1CCCN1CCNC(=O)NNc1ccc(F)c(C(=O)O)c1	1604738289	MTUJIYCKUXIAHG-SNVBAGLBSA-N	324.356	1.634	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2ccnn2CC(F)F)c1	1608936346	NGJDZNUORUKSKF-UHFFFAOYSA-N	310.260	1.603	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CC23CCOCC3)c(F)c1	1608904480	VLHVNFYVKSGTCF-JTQLQIEISA-N	308.309	1.784	50	20	DDGD	
O=C(O)C12CC(C(=O)NNc3cc(F)c(F)c(F)c3)(C1)C2	1601728934	RCGNPPXCGCPRFD-UHFFFAOYSA-N	300.236	1.802	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2cnsn2)cc1C(=O)O	1600455270	INECKMJKIPSJPI-UHFFFAOYSA-N	321.318	1.011	50	20	DDGD	
CC(C)(C)[C@H](C(=O)O)C(=O)NNCC(F)(F)C(F)(F)F	1602853113	YIZNMCDBOBTCSB-YFKPBYRVSA-N	306.231	1.552	50	20	DDGD	
C=CCCC(C)=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	1602833797	VXXWFSWXFHZACE-UHFFFAOYSA-N	314.349	1.704	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@H]2CCc3nc[nH]c3C2)c1F	1608936091	XZJAJDDXYJROFO-MRVPVSSYSA-N	318.308	1.495	50	20	DDGD	
O=C(O)c1cc(C(=O)NNc2cc(F)c(F)cc2F)on1	1602247129	LUXLBWMLPSUISI-UHFFFAOYSA-N	301.180	1.547	50	20	DDGD	
Cc1c(NNC(=O)N[C@H]2C[C@H](C(=O)O)C2)cccc1[N+](=O)[O-]	1600053721	QJSNBRMYMWAXSO-KYZUINATSA-N	308.294	1.393	50	20	DDGD	
Cc1cc(C)cc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)c1	1549318792	RFEVMDPCDKMKSS-HZPDHXFCSA-N	301.390	1.617	50	20	DDGD	
CCCC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1cccnc1	1549322449	ZJRUFWLGYZASLY-GOEBONIOSA-N	316.405	1.565	50	20	DDGD	
CC(C)C[C@H](N)CC(=O)NNC(=O)c1cc(Cl)ccc1O	1575645784	MRKTVZGQQOPDPX-JTQLQIEISA-N	313.785	1.570	50	20	DDGD	
O=C(CN1CCc2ccccc21)NNc1ncccc1C(=O)O	1574526989	DKCLKSDNIABOLU-UHFFFAOYSA-N	312.329	1.286	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	1592251028	QNZWIENLCSKJDH-UHFFFAOYSA-N	322.328	1.250	50	20	DDGD	
COC(OC)[C@H](C)NC(=O)NNc1cccc(C(=O)O)c1C	1599061383	GCFYERBSFSWHPA-VIFPVBQESA-N	311.338	1.327	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1cccc(-n2cccn2)c1	1594781691	SQZSBEDLMLLGMM-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
CC(C)OCCCNC(=O)/C(C#N)=C/c1ccoc1C(=O)O	1591722609	CGHMGYMYVIWXPM-XYOKQWHBSA-N	306.318	1.816	50	20	DDGD	
Cc1ccc(NNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)cc1Cl	1592184707	CXNZTRHLGDPAQT-UHFFFAOYSA-N	317.740	1.914	50	20	DDGD	
COC(=O)NN=Cc1c(C(=O)O)[nH]c2cc(OC)cc(OC)c12	1776011683	GFGUNJYERYABJE-UHFFFAOYSA-N	321.289	1.573	50	20	DDGD	
O=C(O)c1ccc2[nH]cc(C=NNC(=O)c3ncccn3)c2c1	1776081591	VRHAMPARGPLUQQ-UHFFFAOYSA-N	309.285	1.420	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NN=Cc1cccc(C(=O)O)c1Cl	1776102336	NLNHCIZLIOVKDA-QWRGUYRKSA-N	310.737	1.913	50	20	DDGD	
CCNc1ccc(S(=O)(=O)N(C)C)cc1NC=C(C#N)C#N	15242910	UVZRRTGBGOHYAI-UHFFFAOYSA-N	319.390	1.712	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@H]1CCC(=O)N1	15902354	GMNSFORJSBSRDS-CQCMJFKXSA-N	319.405	1.019	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)c1	158998192	BIGJYHQIZMHSTO-CQSZACIVSA-N	318.421	1.157	50	20	DDGD	
CC(C)(C)C(=O)Cn1cc(C(=O)NNc2ccccc2F)nn1	153282072	PFBFGYBGQJOWGC-UHFFFAOYSA-N	319.340	1.789	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)C(=O)NNc1ncnc2nc[nH]c12	156297105	VXNYDQMYOKTCAC-ZCFIWIBFSA-N	301.310	1.205	50	20	DDGD	
COC(=O)[C@H](Br)CN1C(=O)c2ccccc2C1=O	1558170	SRIHQCPYXNQAMD-SECBINFHSA-N	312.119	1.219	50	20	DDGD	
Cc1ncccc1C(=O)NNC(=O)Cc1cn2ccccc2n1	173892890	YACQYGMKCGBGFQ-UHFFFAOYSA-N	309.329	1.041	50	20	DDGD	
O=C(C[C@H]1C=CCC1)NNC(=O)c1cc(Br)c[nH]1	23915032	CYGIQILBJSGZEH-QMMMGPOBSA-N	312.167	1.895	50	20	DDGD	
Cc1cccc(OCCCC(=O)NNC(=O)Cc2cc[nH]n2)c1	106452316	KZRYIBNSAZHNPZ-UHFFFAOYSA-N	316.361	1.267	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@H]1C[C@H]1c1c(F)cccc1F	116165823	KFTBKVAVEPKWIZ-ZJUUUORDSA-N	319.311	1.868	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	67987645	XJUFDOHOZARUOD-SECBINFHSA-N	306.297	1.086	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2ccccc2C(F)(F)F)CCN1	177823111	LVRWYRPMFTVLBH-QMMMGPOBSA-N	301.268	1.675	50	20	DDGD	
O=S(=O)(c1ccc(CCCCl)cc1)N1CC[C@H](O)C1	305204620	MHZMGKMDGJBGGG-LBPRGKRZSA-N	303.811	1.613	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC1CCN(C2CCCC2)CC1	176012341	OACXMTWKADMDHA-UHFFFAOYSA-N	310.442	1.770	50	20	DDGD	
O=C(NCc1ccn2ccnc2c1)NNC(=O)c1ccccc1	177913785	QNHSORJHBYOKDI-UHFFFAOYSA-N	309.329	1.479	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](C)N2[C@@H](C)CC[C@@H]2C)n1	175389450	VKCSWKMUBVLCRJ-SDDRHHMPSA-N	307.398	1.498	50	20	DDGD	
COC[C@H](C)CNC(=O)NNC(=O)c1c[nH]c2ccccc12	170891161	LIFVIQUYGZJYHZ-SNVBAGLBSA-N	304.350	1.394	50	20	DDGD	
COc1cc(C)nc(NNC(=O)COCc2ccccc2)n1	174481764	MENBVPHSPUYDHN-UHFFFAOYSA-N	302.334	1.454	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1	66783799	XPYNQBSAFWJHED-NSHDSACASA-N	321.377	1.669	50	20	DDGD	
CS[C@H](C)C(=O)NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1	111053530	IYGMCVFORLQNSV-SSDOTTSWSA-N	324.410	1.069	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NC(C)C)cnn1-c1ccc(F)cc1	63269161	NMKVEYIKAPMNPM-UHFFFAOYSA-N	319.340	1.672	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Nc1ccccn1	67540432	MKHFXVRTFLJLMG-UHFFFAOYSA-N	300.318	1.486	50	20	DDGD	
COCCCNC(=O)NNC(=S)Nc1ccccc1F	64937361	BJOUXAUELULWRS-UHFFFAOYSA-N	300.359	1.363	50	20	DDGD	
O=C(NCCn1cccn1)NNC(=O)c1ccc2ccccc2c1	120256974	MARVKVKVLOPTNH-UHFFFAOYSA-N	323.356	1.681	50	20	DDGD	
CN(Cc1nccn1C(F)F)C(=O)NNC(=O)c1ccccc1	129178636	APCLRBJSDGVHSR-UHFFFAOYSA-N	323.303	1.765	50	20	DDGD	
O=C(NNc1ncccn1)C(=O)N1CCCc2ccc(F)cc21	120051896	FAKHXSYKUNVRNU-UHFFFAOYSA-N	315.308	1.038	50	20	DDGD	
C=CCCOCCNC(=O)NNC(=O)c1cccc(C#N)c1	123687622	HZYGXVLKMICFOI-UHFFFAOYSA-N	302.334	1.095	50	20	DDGD	
Cc1ccncc1NC(=O)C(=O)NNc1cccc([N+](=O)[O-])c1	181487515	LMJRPBLJZBTZHA-UHFFFAOYSA-N	315.289	1.380	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)c2cccc(C#N)c2)cc(O)n1	121454233	WSNXCSTXXKBFKC-UHFFFAOYSA-N	324.340	1.857	50	20	DDGD	
CCN(CC)S(=O)(=O)CC(=O)NNc1c(C)cccc1F	184375383	AJCHVYHCQRXKOJ-UHFFFAOYSA-N	317.386	1.249	50	20	DDGD	
O=C1CCc2cc(C(=O)NNc3ncc(F)cn3)ccc2N1	122975779	XNXFKYNVSFDAMU-UHFFFAOYSA-N	301.281	1.257	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc(-c3ccccc3)nn2)ccc1=O	128209611	AEWOMJCHEOITPM-UHFFFAOYSA-N	321.340	1.599	50	20	DDGD	
CCC(CC)[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc[nH]2)CCO1	183747426	UGFIDGSPSRYIQB-JSGCOSHPSA-N	322.409	1.943	50	20	DDGD	
C[C@H]1CCC[C@H]1CC(=O)NNc1nccc(N2CCOCC2)n1	184038394	ZHIVOJFYLAHKMV-STQMWFEESA-N	319.409	1.583	50	20	DDGD	
CN(NC(=O)CCc1cc(F)ccc1Br)C(N)=O	183856226	YPPRTIROJBWPSK-UHFFFAOYSA-N	318.146	1.563	50	20	DDGD	
Cc1cc(C)nc(NC(=O)NNC(=O)c2ccccc2O)c1	126341656	QGVYLWJCLWRPMR-UHFFFAOYSA-N	300.318	1.871	50	20	DDGD	
N#CCOc1cccc(CC(=O)NNC(=O)CC2CCCC2)c1	125551318	NAXUTDPBPBBBHR-UHFFFAOYSA-N	315.373	1.859	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H]1CCN(c2ncccc2F)C1	182055302	YSWUTWUZUYNPME-IIANPFDCSA-N	304.325	1.360	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@@H](C)c2nccs2)n1	184241866	RFQLGAVJUUGPRC-SECBINFHSA-N	307.379	1.977	50	20	DDGD	
CN(C)C(=O)NNC(=O)COc1cc(Cl)ccc1Cl	194927066	MLYGFRBXSWTJQA-UHFFFAOYSA-N	306.149	1.675	50	20	DDGD	
COc1ccc(F)cc1[C@H](C)NC(=O)NNC(=O)c1ccc[nH]1	194181112	LVOTVCLBIBTFAX-VIFPVBQESA-N	320.324	1.868	50	20	DDGD	
CCC(C)(C)CNC(=O)NNC(=O)Cc1cn2ccccc2n1	190713098	RBUDPKXCFYPATD-UHFFFAOYSA-N	317.393	1.643	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc(-n2ccnc2)nc1	133972587	HODKUHDMLHPNIA-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
CC[C@]1(C(=O)NNc2nc(-c3ccncc3)no2)CCCN1	134592059	QVGIJETYNBBEKV-CQSZACIVSA-N	302.338	1.107	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1n[nH]cc1[N+](=O)[O-]	132231867	AFNZPOOSQCVJIW-UHFFFAOYSA-N	316.199	1.489	50	20	DDGD	
O=C1CCc2cc(C(=O)NNC(=O)c3cccnc3)ccc2N1	130907846	WJNWPQAJSDAXBA-UHFFFAOYSA-N	310.313	1.041	50	20	DDGD	
CCOCCN1CCN(CCI)CC1	190866201	WUPBMWLZAADHMR-UHFFFAOYSA-N	312.195	1.076	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)C1C2CC3CC(C2)CC1C3	194898763	YDIRYHWSVIAJEZ-UHFFFAOYSA-N	307.394	1.132	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=O)CNc1ccccc1	246553424	YLJXRKNVZMZRIN-HZSPNIEDSA-N	318.421	1.507	50	20	DDGD	
Cc1ncc(CO)c(C=NNC(=O)CCc2ccccc2)c1O	254501967	TYEOMFBHGWVKTC-UHFFFAOYSA-N	313.357	1.671	50	20	DDGD	
COc1cccc(CNC(=O)NNc2ccc(C)nn2)c1OC	264361133	GMYXXHDDRWXDFQ-UHFFFAOYSA-N	317.349	1.629	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccc(Cl)nc1)N(CC)CC	266876935	ZHRCSLSKRBZYMJ-NSHDSACASA-N	312.801	1.616	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@H]1COc2ccccc2O1)C1CC1	263900485	RCJSWFZJKRGNJA-NOZJJQNGSA-N	321.402	1.120	50	20	DDGD	
Cn1ccnc(NNC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1=O	267249952	UMIJCNHQXPBTMP-RKDXNWHRSA-N	318.299	1.592	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCSCC(=O)OC)cc1	264472219	WAHQUKFZYCLRSU-UHFFFAOYSA-N	324.402	1.306	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CCC2(CCOCC2)C1	266492090	ACGNIORIMSGICB-UHFFFAOYSA-N	317.389	1.852	50	20	DDGD	
CS[C@@H](C)CNC(=O)NNC(=O)COc1ccccc1C#N	269910768	OZKYFMSVEWEHFI-JTQLQIEISA-N	322.390	1.019	50	20	DDGD	
CN1CC[C@H](NC(=O)NNc2cc(Cl)ccc2Cl)C1=O	267992673	HSKPVYNMULLJGT-VIFPVBQESA-N	317.176	1.850	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2CCN3CCCC[C@@H]23)n1	266926469	DMBCYRMSZWZUTH-NEPJUHHUSA-N	320.397	1.047	50	20	DDGD	
CC(C)c1nc([C@@H](C)NS(=O)(=O)CBr)n[nH]1	272856935	WPDGIORRGWHGDW-ZCFIWIBFSA-N	311.205	1.261	50	20	DDGD	
CCOC(=O)Cc1cccc(NC(=O)NNC(=O)C(C)(C)C)c1	271346013	GVMPZQNJSRJRDT-UHFFFAOYSA-N	321.377	1.991	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H]2CCO[C@@H](C)C2)c1	271835641	AECSFWQZIMOSRC-KBPBESRZSA-N	320.389	1.645	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CC(O)(C3CC3)C2)cc1	376426569	HLJROCKZWCZTJI-NTEUORMPSA-N	312.369	1.976	50	20	DDGD	
CC(=O)N1CCCc2cc(NC(=O)NNC(=O)C3CC3)ccc21	274052338	HGVOTRHAFVMNDK-UHFFFAOYSA-N	316.361	1.548	50	20	DDGD	
Cc1coc(C)c1C(=O)NNC(=O)c1ccc2c(c1)OCCO2	284587097	SMOFYSDWSBWWOQ-UHFFFAOYSA-N	316.313	1.742	50	20	DDGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NNc1cc(F)cc(OC)c1	285638996	BIPMAFFWWOWGHX-XPTSAGLGSA-N	311.357	1.828	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNc3cccc(F)n3)(CC1)C2	376201454	VYAJOANNHXBFNX-UHFFFAOYSA-N	307.325	1.787	50	20	DDGD	
C=CCNC(=S)NNC(=O)C1(Cc2ccc(F)cc2)CC1	281198282	KUZFVPFERMFVGP-UHFFFAOYSA-N	307.394	1.830	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCSCC(C)C)n1	280407487	VZRFEAHONJTCSG-UHFFFAOYSA-N	310.423	1.723	50	20	DDGD	
Cc1nn(C)c(C)c1CC(=O)NNC(=O)Nc1ccccc1	283799083	VJEYMYKSBCFSLG-UHFFFAOYSA-N	301.350	1.432	50	20	DDGD	
COCCC1(CNC(=O)NNC(=O)c2cccc(C)n2)CCC1	280780497	FPXOIVHPBBSUDW-UHFFFAOYSA-N	320.393	1.541	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C(C)(C)c1ccccc1	287761753	JDIQLNTTZYMYAN-UHFFFAOYSA-N	322.405	1.901	50	20	DDGD	
C=CCN1CC[C@@H](N(C)CCI)C1=O	281397255	QEOLDCOIORNSFO-SECBINFHSA-N	308.163	1.140	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1ccc2ccccc2c1O	802031128	CSTOMLCWVGHLFW-UHFFFAOYSA-N	322.324	1.829	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCC(C)CC1)c1cn(C)c(C)n1	800808450	LCFSDCLMMBCDOP-ZDUSSCGKSA-N	319.453	1.937	50	20	DDGD	
CCCN1CCC[C@H]1CNC(=O)NNC(=O)c1ccccc1C	807549410	XZGFWHMIKTUDMM-AWEZNQCLSA-N	318.421	1.813	50	20	DDGD	
CN1C[C@H](C(=O)NNc2cc(Cl)ccc2[N+](=O)[O-])CC1=O	296113791	NUPJQKAHTYPRIP-SSDOTTSWSA-N	312.713	1.170	50	20	DDGD	
COC1(C(=O)NN=c2cc[nH]c3ccccc23)CCOCC1	806811190	MJFLSGOTIGVWQE-UHFFFAOYSA-N	301.346	1.295	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNc2ncncc2F)cc1	294115927	SNIXXSCUFIQVJF-JTQLQIEISA-N	304.325	1.946	50	20	DDGD	
Cc1ccc(C[C@H](C)C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	293917867	AVUFBWIKBBUJGU-YDHLFZDLSA-N	304.390	1.889	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)Cc1nc2ccccc2n1C	294330068	KPPFHXXJTAWEQI-CYBMUJFWSA-N	318.377	1.078	50	20	DDGD	
CC(C)(C)c1n[nH]cc1C(=O)NNC(=O)NCc1ccco1	294018822	HEOMYXMBXDQMDL-UHFFFAOYSA-N	305.338	1.444	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)c1ccc(C(C)(F)F)cc1	292059542	UJNORWNCYCMKGR-UHFFFAOYSA-N	313.304	1.084	50	20	DDGD	
O=C(Cc1ccc2n[nH]cc2c1)NNC(=O)Nc1ccccc1	801988281	STWIHFHIUMGKME-UHFFFAOYSA-N	309.329	1.958	50	20	DDGD	
Cc1noc(NC(=O)NNC(=O)CCCc2ccccc2)n1	296968284	WVVNQAWOGABDJV-UHFFFAOYSA-N	303.322	1.554	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CCCCC2(F)F)n1	294291980	IBQUWGNOEGODFO-NSHDSACASA-N	314.336	1.473	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@H]1C[C@@H]1c1ccc(F)cc1	299386531	PUTJVBXORAMTBN-OLZOCXBDSA-N	307.325	1.002	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1cnn(C)c1C	808030543	YMLJGCWZYWMHLB-UHFFFAOYSA-N	306.297	1.411	50	20	DDGD	
COc1nnccc1NC(=O)NNC(=O)c1ccc(Cl)nc1	808902771	WZEAJHBYMHWXPI-UHFFFAOYSA-N	322.712	1.000	50	20	DDGD	
NC(=O)Nc1cccc(C(=O)NNC(=O)NC2CCCC2)c1	299312436	DCZGYHITEHNZFB-UHFFFAOYSA-N	305.338	1.064	50	20	DDGD	
Cc1cc(Cl)ncc1NC(=O)C(=O)NNc1ncccc1F	807300538	OPTNAZCVGBDUPI-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1	818027115	GKGQDBMPXUAXMJ-GFCCVEGCSA-N	321.421	1.058	50	20	DDGD	
CCCS(=O)(=O)Nc1ccccc1C(=O)NN(C)C1CC1	819646896	FBYYWUNZATVGHM-UHFFFAOYSA-N	311.407	1.577	50	20	DDGD	
CC[C@@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1	818139231	JGFXLAOONGDZEN-SECBINFHSA-N	312.753	1.690	50	20	DDGD	
C[C@H]1SCCC1=NNC(=O)c1nnc(O)c2ccccc12	814740545	WOVYZWARWXBSPG-MRVPVSSYSA-N	302.359	1.947	50	20	DDGD	
O=C(CN1CCC[C@@H](c2ccccc2)C1)NNC(=O)C1CC1	814644067	ZBWVXATXNGJJIS-OAHLLOKOSA-N	301.390	1.423	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@](C)(O)C2CCC2)cc1	813366768	WWQMJLSZDHVHQN-INIZCTEOSA-N	306.362	1.072	50	20	DDGD	
CO[C@@](C)(C=NNC(=O)COc1ccccc1C#N)C1CC1	814743526	JMGKEBMEBSFMBB-INIZCTEOSA-N	301.346	1.854	50	20	DDGD	
CCCN1C[C@@H](CNC(=O)NCCSSC)CC1=O	817167480	NURFCEGGAWOPRO-SNVBAGLBSA-N	305.469	1.555	50	20	DDGD	
CC(C)C(=O)NNC(=O)NC[C@]1(C)OCCc2sccc21	811944946	XGYYMGFNWDONFB-AWEZNQCLSA-N	311.407	1.522	50	20	DDGD	
CC(C)C1CCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)CC1	729638854	ITXFHTPKLAPXRQ-NFJWQWPMSA-N	303.428	1.243	50	20	DDGD	
COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NN(C)C1CC1	819646753	DCMFSDILFVCENT-UHFFFAOYSA-N	322.756	1.063	50	20	DDGD	
Cc1cccnc1[C@H](NCC(=O)NNC(=O)C(C)C)C(C)C	828310771	GWVFBBRPEXPKES-CQSZACIVSA-N	306.410	1.480	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)OC[C@@H]2CN(C)C(=O)O2)cc1	496061769	NNEHATDPVQOEKO-VDBIKXPHSA-N	316.313	1.596	50	20	DDGD	
CN(NC(=O)CCOC[C@H]1CCCO1)C(=O)OC(C)(C)C	497020715	WITLAIRXQZHYGM-LLVKDONJSA-N	302.371	1.470	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	820630973	SOMLKDFOJXCCNS-VXGBXAGGSA-N	321.352	1.725	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)Oc1ccccc1	826002407	XIXDEGYQMZUZSK-BZPMIXESSA-N	321.377	1.209	50	20	DDGD	
C[C@@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1)c1cnn(C)c1	826071553	MPTNWCZQAZEULL-MRVPVSSYSA-N	319.273	1.736	50	20	DDGD	
CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)NNC(=O)NCC	491055805	AVBUVVLAAVBFOO-CQSZACIVSA-N	316.402	1.420	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C(C)=C2CCC2)c1	823677155	QPYJUOXEAOZRGY-UHFFFAOYSA-N	304.346	1.965	50	20	DDGD	
Cc1cccc2sc(NNC(=O)C3=NN(C)C(=O)CC3)nc12	828367146	IBVHAMUWUNSOTF-UHFFFAOYSA-N	317.374	1.656	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCC[C@@H](OCC3CC3)C2)cn1	491079609	AUVQKNCJWYHDBX-UBYXTUIOSA-N	314.389	1.745	50	20	DDGD	
CC(=NNC(=O)c1cccn1C)C1CN(C(=O)OC(C)(C)C)C1	492455425	IDTRUHHYUKORKO-UHFFFAOYSA-N	320.393	1.998	50	20	DDGD	
C[C@@H]1CN(C(=O)/C(C#N)=C/c2ccc(F)cc2)C[C@H](CO)O1	490692934	HYNQXOCQYMURMB-GLQBXYGBSA-N	304.321	1.341	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1c(F)cccc1F	730577475	IHIIWRPHMXSSJJ-VIFPVBQESA-N	316.329	1.240	50	20	DDGD	
CC[C@H](O)[C@@H](C)C(=O)NNC(=O)c1cc(C)nc2ccccc12	907954862	VWRLVTORTKFDJT-ABAIWWIYSA-N	315.373	1.711	50	20	DDGD	
CN(C)Cc1cc(NCc2ccc(B(O)O)o2)ccc1Cl	585039745	VDDXYMWSCHHPNA-UHFFFAOYSA-N	308.574	1.287	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccccc1COC1CCOCC1	496302380	GRODRGDBYASKBJ-UHFFFAOYSA-N	322.361	1.773	50	20	DDGD	
O=C(NNC(=O)c1csc(-c2ccoc2)n1)c1ccccn1	730997286	PHFYXKPDLQQHFQ-UHFFFAOYSA-N	314.326	1.873	50	20	DDGD	
CC(C)OC(=O)CC[C@H](C)NC(=O)NNC(=O)OC(C)(C)C	492413822	SGQWYVWJMRHUQD-JTQLQIEISA-N	317.386	1.846	50	20	DDGD	
CCC[C@H]1CCC[C@@H]1CNC(=O)c1cc(B(O)O)ccc1F	584997659	JTNGEOZMIYYKDR-NWDGAFQWSA-N	307.174	1.452	50	20	DDGD	
C[C@@H]1O[C@H](C)CC1=NNC(=O)C(=O)NCc1ccc(Cl)cc1	834969239	UJCSSLNSHPLAOF-ZJUUUORDSA-N	323.780	1.626	50	20	DDGD	
CC[C@@](C)(CNC(=O)NNC(=O)COc1ccc(C)cc1)OC	838661205	KURUVSNFLRIQMI-INIZCTEOSA-N	323.393	1.519	50	20	DDGD	
O=C(NCc1c(F)cc(F)cc1F)NNC(=O)C1CCC1	836489791	ZKPNDPITMCAVJM-UHFFFAOYSA-N	301.268	1.734	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1cccc(B(O)O)c1	584914235	SPSXTTIKRYHYBK-WFASDCNBSA-N	305.183	1.290	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCn1cnc2ccccc21	732072868	BGRNRGTVOOBEGN-UHFFFAOYSA-N	311.345	1.226	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCC1CC1)c1ccc([N+](=O)[O-])cc1	739706305	HNQUFFZZJQQZPO-UHFFFAOYSA-N	320.349	1.613	50	20	DDGD	
CCc1cc(N2CCC[C@@H](NS(=O)(=O)CCl)C2)ncn1	830488499	WDEYEPDLKDPMIZ-LLVKDONJSA-N	318.830	1.124	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)[C@@H](C)Oc1ccccc1F	732527836	KXWVZNBOBGKMJR-SNVBAGLBSA-N	316.354	1.130	50	20	DDGD	
Cn1nc2c(c1C(=O)NNc1ncc(F)cc1F)CCCC2	837209323	ZNZBMLOOVCHMAP-UHFFFAOYSA-N	307.304	1.729	50	20	DDGD	
O=C(NN=C(CC1CC1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1	735972421	CDBWNJYNFLOZES-CQSZACIVSA-N	320.414	1.742	50	20	DDGD	
Cc1ccccc1C1=NO[C@H](C(=O)NNC(=O)C2CCCC2)C1	906085228	JPHNNLWZLCWDNR-HNNXBMFYSA-N	315.373	1.826	50	20	DDGD	
CCC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1cnn(C)c1	736301829	CDFUVHKXWIZHRO-UHFFFAOYSA-N	324.348	1.144	50	20	DDGD	
O=C(NNc1cccc(C(F)(F)F)c1)C1(CO)CCOCC1	837487872	MCHOFEQWVRTEJJ-UHFFFAOYSA-N	318.295	1.938	50	20	DDGD	
NC(=O)C(=O)NN=C1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]12	834917178	AHIVSDYGWGLCMH-UKRRQHHQSA-N	314.389	1.019	50	20	DDGD	
CCCCNC(=S)NNC(=O)[C@@H](C)CN1CCCCC1	916117713	JIWCKNNRBIHLLX-LBPRGKRZSA-N	300.472	1.404	50	20	DDGD	
O=C(O)[C@H]1CCC[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2)C1	833183888	LOISFDUZIYTKHC-ZJUUUORDSA-N	307.306	1.929	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2	730778208	KPNKIEFEEYXARJ-SDDRHHMPSA-N	304.346	1.355	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1C[C@H](O)C[C@]1(C)CO	912660647	OKNFLZYQXPJXCY-KBVBSXBZSA-N	308.216	1.140	50	20	DDGD	
C=C(CBr)CN1CCS(=O)(=O)C[C@@H]1C1CC1	831386921	UOHJIGYSCRFHBQ-LLVKDONJSA-N	308.241	1.447	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ncccc1Cl	830190809	QHGJNLPHUVDKDE-UHFFFAOYSA-N	315.757	1.285	50	20	DDGD	
Cc1cc(C)n([C@@H](C)CC(=O)NNC(=O)CC(F)(F)F)n1	918367115	NBWKYFQQXJFOIR-VIFPVBQESA-N	306.288	1.551	50	20	DDGD	
CC(=O)Nc1ccc(C=NNC(=O)Cn2nc(C)cc2C)cc1	916343123	LAWJLXAXBQEOJR-UHFFFAOYSA-N	313.361	1.609	50	20	DDGD	
C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)c1ccco1	745125370	HFYNDDRDRURQJI-LLVKDONJSA-N	316.313	1.388	50	20	DDGD	
CC(C)NC(=O)NN=Cc1cc2c(cc1[N+](=O)[O-])OCCO2	745005927	MYDQSHKNHPHHMA-UHFFFAOYSA-N	308.294	1.408	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)N[C@@H]1CCCNC1	841943232	IKUZPNAUDYVLRN-CQSZACIVSA-N	304.394	1.092	50	20	DDGD	
CC[C@@H](C(=O)NN=Cc1c(C(=O)O)cnn1C)c1ccccc1	848405174	BRWPRYLJIMWOBE-GFCCVEGCSA-N	314.345	1.762	50	20	DDGD	
CCn1c(NNC(=O)[C@H]2CCC(=O)C2)nc2ccccc2c1=O	843759233	BZEHDCQQMDWVQO-JTQLQIEISA-N	314.345	1.229	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccc(C(=O)OC)c(F)c1	849177554	ONWXRGUFJXBVSM-XFFZJAGNSA-N	307.277	1.709	50	20	DDGD	
C[C@@H](CCO)SCC(=O)NNC(=O)c1ccc(F)cc1	741733095	QGCGNDYCXVMXBQ-VIFPVBQESA-N	300.355	1.091	50	20	DDGD	
CC(C)c1ccccc1OCC(=O)NNC(=O)c1ncccn1	841354004	JDKKDMKURUYRHD-UHFFFAOYSA-N	314.345	1.440	50	20	DDGD	
COc1ccc2c(c1)OCC[C@@H]2NC(=O)NNC(=O)CC(C)C	743650688	WLEPWHVUPRMOEP-ZDUSSCGKSA-N	321.377	1.895	50	20	DDGD	
CC(C)(C#N)CS(=O)(=O)NC[C@@]1(C)C[C@H]1Br	917864373	BANTZMDSBIMRAZ-PSASIEDQSA-N	309.229	1.629	50	20	DDGD	
COC(=O)C1(CS(=O)(=O)NCCCSC#N)CCCC1	916992265	HWZNURLLJULQBN-UHFFFAOYSA-N	320.436	1.244	50	20	DDGD	
NC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)Nc1ccc(Cl)cc1	848044471	JFMSOYGAQRSVRT-VHSXEESVSA-N	310.741	1.004	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(Cl)c(Cl)n1C	843640367	CDNQWUKJGTZUHH-RNFRBKRXSA-N	320.176	1.518	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1ccc(N2CCOCC2)s1	842556876	OIOQMRDVTKEUCQ-AAEUAGOBSA-N	323.418	1.460	50	20	DDGD	
Cc1cnc(Cl)c(C(=O)NNC(=S)N[C@H](C)C2CC2)c1	912159363	GMDDZMIRGYFWOL-MRVPVSSYSA-N	312.826	1.951	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)ccc1C	843647202	SCFWPDZPSKNPMI-ZWNOBZJWSA-N	319.361	1.139	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCCc1ccco1	749917839	LQIALCMGCNLVLO-UHFFFAOYSA-N	301.346	1.785	50	20	DDGD	
CCC1CCN(S(=O)(=O)NNC(=O)c2ccc(C)o2)CC1	849308547	RJNNIZMVWYRQAB-UHFFFAOYSA-N	315.395	1.189	50	20	DDGD	
NCCCC(=O)NNC(=O)N[C@@H](c1ccccc1)C(F)F	841249698	PBPDNIDHOFQBPE-NSHDSACASA-N	300.309	1.062	50	20	DDGD	
Cc1cc(C=NNC(=O)Nc2ccc(N(C)C)cc2)n(C)n1	841625973	NHSAAXNTUPZIOH-UHFFFAOYSA-N	300.366	1.950	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)NCC1CC1)C(=O)N2C	844578857	PESZYGGEJTVBCL-UHFFFAOYSA-N	302.334	1.085	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)cc2n1C	843657426	RCXMJGSPIJFVFL-BXKDBHETSA-N	316.361	1.068	50	20	DDGD	
CC(C)Cc1ncc(C(=O)NNC(=O)c2ccncc2)s1	929101875	JVTWLXBCJCUGFJ-UHFFFAOYSA-N	304.375	1.811	50	20	DDGD	
CC[C@H](N)CNC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	842008663	VTXTURSITLOKAF-STQMWFEESA-N	322.409	1.138	50	20	DDGD	
CCCCOc1ccccc1NC(=O)NNC(=O)CCCN	841070400	CJLGSRVRYIXTND-UHFFFAOYSA-N	308.382	1.757	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNc1ccccc1Br	748058326	IAAOAZQCMPZCED-MRVPVSSYSA-N	314.183	1.807	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1ccc(C)o1)C1CCOCC1	752995880	JRVWAOZQWZTOGC-GFCCVEGCSA-N	309.366	1.737	50	20	DDGD	
O=C(NCCN1CCCOCC1)NNc1cc(F)ccc1F	922607255	FHTWWVRRNWNPDC-UHFFFAOYSA-N	314.336	1.313	50	20	DDGD	
CCn1nccc1CNC(=O)c1c(C)nn(CCCl)c1C	856478150	JZIGDUCMWWUEAU-UHFFFAOYSA-N	309.801	1.885	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)CC(F)(F)F)N1CCCCC1	855001200	DVHWTWJVEYXWST-NSHDSACASA-N	309.332	1.597	50	20	DDGD	
C[C@H](C(=O)NNC(=S)NCC1CCC1)N1CCCCCC1	855091405	OIZFKSBITWJVDD-GFCCVEGCSA-N	312.483	1.546	50	20	DDGD	
Cc1cc(C(=O)NCCCSC#N)nc2nc(O)nc(O)c12	854362550	RTJDCMZCRSOCRY-UHFFFAOYSA-N	319.346	1.079	50	20	DDGD	
COC(=O)[C@H]1C[C@H](NC(=O)c2c(C)nn(CCCl)c2C)C1	856368284	BUWSOXVYLURDIU-XYPYZODXSA-N	313.785	1.420	50	20	DDGD	
CC(CC(C)(C)C#N)=NNC(=O)c1ccc(-n2cnnn2)cc1	853276608	GXMOYDOVRHBFHC-UHFFFAOYSA-N	311.349	1.708	50	20	DDGD	
O=C(CCn1cc(Cl)cn1)NNc1ncc(F)cc1F	857533137	JYGPZBFUJUBFRZ-UHFFFAOYSA-N	301.684	1.743	50	20	DDGD	
NC(=O)c1cccc(C=NNC(=O)Cc2cn3ccccc3n2)c1	755754432	YAMQOWFRUHGAMV-UHFFFAOYSA-N	321.340	1.126	50	20	DDGD	
CC(=NNC(=O)COc1cc(C)cc(C)c1)c1nccn1C	755506338	KWEASVXKLGNKJT-UHFFFAOYSA-N	300.362	1.956	50	20	DDGD	
C[C@@H](CCCC(F)(F)F)NC(=O)NNC(=O)c1cn[nH]c1	858397676	QUKCHASXHHSFJY-ZETCQYMHSA-N	307.276	1.475	50	20	DDGD	
C#CC[C@H](CCOC)NC(=O)NNC(=O)c1ccccc1OC	858207596	JXCNNYOZIIJLQO-GFCCVEGCSA-N	319.361	1.068	50	20	DDGD	
COCC[C@@H](NCC(=O)NNC(=O)C(C)(C)C)c1ccco1	754461369	YFEYZMYTJUMVDM-LLVKDONJSA-N	311.382	1.140	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNC(=O)c1cc(Cl)ccc1O	759071872	OOWHUCATKINNBV-SSDOTTSWSA-N	314.725	1.006	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc2nccnc2c1)C1CC1	855102808	NKACOCBAQOLVEV-SECBINFHSA-N	315.402	1.537	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNC(=O)CC2CCCC2)ccc1N	850815417	UAHOTGJTZYSYBS-UHFFFAOYSA-N	318.377	1.243	50	20	DDGD	
CCc1ccc(C(C)=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1	920384171	JBTCCZQITSNUAQ-CQSZACIVSA-N	323.418	1.459	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)c(C)n1	858151228	YELWXALVSDMPRT-UHFFFAOYSA-N	304.325	1.354	50	20	DDGD	
C[C@H]1CCC[C@H](C)C1NCC(=O)NNC(=O)c1cccs1	754121169	AALFNXSGESWLFQ-QWRGUYRKSA-N	309.435	1.923	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cc2ccccc2o1)[C@@H]1CCC(=O)N1	859908277	FASXXMXSJIHPEL-ONGXEEELSA-N	315.329	1.109	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)Cc2ncccc2F)n1	857153105	PVWJAFSPOQKQNF-UHFFFAOYSA-N	318.356	1.543	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc(NC(N)=O)cc1)C1CC1	751620907	ZFIRNCOSMDPXDQ-MRVPVSSYSA-N	321.406	1.085	50	20	DDGD	
Cc1cccc(-c2n[nH]cc2C=NNC(=O)C(=O)NC2CC2)c1	755612771	WZXWOGGDIWPDRR-UHFFFAOYSA-N	311.345	1.114	50	20	DDGD	
C#C[C@H](CC)NC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	854068996	OKQCQCRJIWNDTJ-ZYHUDNBSSA-N	307.325	1.335	50	20	DDGD	
CNC(=O)CCCN(C)C(=O)NC[C@@]1(C)C[C@@H]1Br	856902966	LZFQUOVVDUXNRN-JOYOIKCWSA-N	320.231	1.328	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(C(F)(F)F)nn2)cn1	755187843	QENMMTIEXXQSKC-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2F)CC1=O	855621608	YZHNQELCDYTDFK-QMMMGPOBSA-N	310.285	1.045	50	20	DDGD	
CN(C[C@@H]1CC=CCC1)C(=O)NNC(=O)c1cccc(F)n1	852709592	YZZHORBLMWRFCQ-LLVKDONJSA-N	306.341	1.863	50	20	DDGD	
COC[C@@H](C)Oc1ccc(C=NNC(=O)C(=O)NC(C)C)cc1	853282482	GKLRGYUPTLZEJH-GFCCVEGCSA-N	321.377	1.075	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)OC[C@@H](CBr)C1CC1	859538300	BYTXBHXRIYRBJM-BBBLOLIVSA-N	305.168	1.760	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cccc2c1OCCO2)C1CC1	751619956	YOAXYXBYYFOGJX-VIFPVBQESA-N	321.402	1.365	50	20	DDGD	
CCC[C@@H](CC1CCCCC1)C(=O)NNC(=O)[C@H]1CCC(=O)N1	862454675	IRJFQENMPJTXGI-UONOGXRCSA-N	323.437	1.799	50	20	DDGD	
Cc1cc(-c2nnco2)ccc1NCc1cccc(B(O)O)c1	864024988	MAMGRACPQOCKMW-UHFFFAOYSA-N	309.134	1.337	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c1	860682824	FBMDNYJTBYAMKE-ZHPDPMBESA-N	306.362	1.976	50	20	DDGD	
COC(=O)C1(C(=O)NNC(=O)CSc2ccc(C)cc2)CC1	766337131	OAMNEGACGDBMNE-UHFFFAOYSA-N	322.386	1.188	50	20	DDGD	
CC(C)[C@H](NC=O)C(=O)NNc1ccnc(Br)c1	860908437	XKPMXWYRGDOBBO-JTQLQIEISA-N	315.171	1.058	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccc(F)cc1	862095045	HDDBTLYLYXOFNA-BIMULSAOSA-N	310.325	1.086	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@]1(c2ccccc2)CCCO1	930734653	QFBKWRPVWSAUAK-MRXNPFEDSA-N	303.362	1.433	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNc1ccc(Cl)c(OC)c1	935715343	QUKUDHZGEMPISC-NXEZZACHSA-N	312.753	1.991	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNC(=O)c1cncc(NC(C)=O)c1	863898394	IUYFLGUFKBFYSL-CYBMUJFWSA-N	322.365	1.006	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2scc(C)c2Cl)n[nH]1	869016527	LKCALFKPVDBANE-UHFFFAOYSA-N	312.782	1.745	50	20	DDGD	
C[C@H](Sc1ccc(Cl)cc1)C(=O)NNC(=O)C(C)(C)O	768245793	YHBZGZNZGLLEJE-QMMMGPOBSA-N	316.810	1.739	50	20	DDGD	
CNC(=O)[C@@H]1CCCCN1S(=O)(=O)CC(C)(C)CCl	866479589	XFRXEDNWMSPOGG-JTQLQIEISA-N	310.847	1.182	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(C#N)c(Cl)c1)[C@@H]1CCC(=O)N1	860778587	OTRDVYSNVRLOPQ-UFBFGSQYSA-N	306.753	1.569	50	20	DDGD	
CCc1noc(COCC(=O)NNc2cccc(F)c2F)n1	935024645	XVESORTWLDZDOW-UHFFFAOYSA-N	312.276	1.570	50	20	DDGD	
CCCn1cc(C(=O)NNc2oc(C(C)C)nc2C#N)nn1	766840934	MXKZQPOURJTBFX-UHFFFAOYSA-N	303.326	1.428	50	20	DDGD	
CC[C@H](CC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccc(C)cc1	862454593	HYUPJDXZBOWKMM-TZMCWYRMSA-N	317.389	1.305	50	20	DDGD	
CCc1cccc2c1N(C(=O)C(=O)NNC(=O)C(C)(C)C)CC2	761063437	JYCQPVBMGYJARW-UHFFFAOYSA-N	317.389	1.332	50	20	DDGD	
CCO[C@@H](CC(=O)NNC(=O)CNc1ccccc1)C(C)C	760994791	GLUZSTJZLGUABR-AWEZNQCLSA-N	307.394	1.697	50	20	DDGD	
CC(=O)NNC(=O)c1ccc(F)cc1NC(=O)OC(C)(C)C	864427105	IZQIVIZDMHPKCH-UHFFFAOYSA-N	311.313	1.954	50	20	DDGD	
Cc1cccc(NNC(=O)C(=O)Nc2cnn(CC(C)C)c2)n1	861961113	XLWANIITWJWBHJ-UHFFFAOYSA-N	316.365	1.324	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NNc1cncc(Br)c1	1116395516	MQOKXMOXYIUNJL-VHSXEESVSA-N	300.156	1.712	50	20	DDGD	
C[C@H](NNC(=O)[C@H](O)[C@H](C)c1ccccc1F)C(F)(F)F	869376788	KPOUJAIYPWJFKD-VHSKPIJISA-N	308.275	1.862	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2cnn(CC3CC3)c2)c1	867137583	JBJZWVBSSJQZLP-UHFFFAOYSA-N	316.752	1.970	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)CC[C@@H]2CCCO2)cn1	874953988	MBRYRMIGPIDUGX-NSHDSACASA-N	324.406	1.367	50	20	DDGD	
C=CCC(F)(F)C(=O)NNC(=S)Nc1ccc(OC)nc1	874955859	YLHWTPMWVZYSGM-UHFFFAOYSA-N	316.333	1.619	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cc([C@@H]2CCCOC2)nn1C	879429042	DCEORMYRDMONSM-SECBINFHSA-N	311.342	1.049	50	20	DDGD	
CC(C)[C@]1(C)C[C@H]1C(=O)NNC(=O)c1ccc2c(c1)OCO2	772850926	QCJIXLJCUPAIMV-ZBEGNZNMSA-N	304.346	1.859	50	20	DDGD	
COC[C@](C)(O)C(=O)NNc1nc2ccc(OC)cc2cc1C	778481596	VXROXEPVWCVXEI-INIZCTEOSA-N	319.361	1.392	50	20	DDGD	
C[C@@H]1CCCC[C@H]1OCC(=O)NNC(=S)Nc1ccccn1	874956718	MLOBKMZBAAGQOM-VXGBXAGGSA-N	322.434	1.995	50	20	DDGD	
C=CCOc1ccc(C(=O)O[C@H](C)C(=O)NNC(=O)CC)cc1	771986292	WFWCBRQFKQYCCU-LLVKDONJSA-N	320.345	1.354	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C1CC(F)(F)C1	772182759	JGTFTGIHXPATFQ-QMMMGPOBSA-N	306.309	1.157	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H]2CCC(=O)C2)c1	874951368	CTKJPTFOFNMZKP-NSHDSACASA-N	301.371	1.355	50	20	DDGD	
COCC(=O)NN=Cc1cc(OC)c(Br)cc1F	872357189	UUVASCQFGLFTSM-UHFFFAOYSA-N	319.130	1.693	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCCc1cn(C)c2cc(F)ccc12	770520114	QXRQPBZKFMIQTO-UHFFFAOYSA-N	320.368	1.846	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cccc(Cl)c2O)nc1	775790770	CNDGQMIDCSMBPW-UHFFFAOYSA-N	321.720	1.984	50	20	DDGD	
Cc1ncoc1C(=O)NNC(=O)c1cncn1-c1ccccc1	1116192763	WRTMKPFQGQOSCX-UHFFFAOYSA-N	311.301	1.244	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2nccs2)c2ccccc21	770131703	IOHDAJNXDXQGLK-UHFFFAOYSA-N	300.343	1.710	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N[C@@H](CO)c2ccccc2)c1	778650660	MXIXXNDEZDRVDI-HNNXBMFYSA-N	324.340	1.236	50	20	DDGD	
CC(C)C(=O)NN=Cc1ccc(OCCN2CCOCC2)cc1	872333763	ZLAOGOWKMZULBY-UHFFFAOYSA-N	319.405	1.504	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C(C)(C)c1ccccc1	771940794	QFAOWEYHJZEKKL-LLVKDONJSA-N	306.362	1.453	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@@H]1C[C@@H]1Cc1ccccc1	883494052	ZKHHUNDXJSVTQX-LSDHHAIUSA-N	317.389	1.375	50	20	DDGD	
C[C@@H]1NC(=O)[C@H](C)N(S(=O)(=O)CC(C)(C)CCl)[C@H]1C	882312868	FUZBIUROGVRUNW-GUBZILKMSA-N	310.847	1.179	50	20	DDGD	
CCN(CC(=O)N(C)C)C(=O)/C(C#N)=C/c1ccc(O)cc1	787322722	JEMXHGDFVFTCHE-UKTHLTGXSA-N	301.346	1.236	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)Cc1ccccc1Cl	782477434	QRFTUSAONBIERF-UHFFFAOYSA-N	305.787	1.336	50	20	DDGD	
CCn1cccc(CNC(=O)NNc2cccc(C#N)c2)c1=O	789298806	XBVKZKNDYLYYFY-UHFFFAOYSA-N	311.345	1.566	50	20	DDGD	
O=C(NC[C@@H]1CCC[C@H]1C1CC1)NNC(=O)c1cccnn1	883690004	ZKVRPPZFFLARGU-RYUDHWBXSA-N	303.366	1.247	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)c2ccc(C)c(O)c2)cn1	882049508	AYRNLGIDFSPQCF-UHFFFAOYSA-N	302.334	1.382	50	20	DDGD	
CCc1ncsc1NC(=O)NNc1cc(Cl)nc(N)n1	789158280	DGVAQFWANQERMV-UHFFFAOYSA-N	313.774	1.880	50	20	DDGD	
O=C(CC1OCCCO1)NNC(=O)C12CC3CC(CC(C3)C1)C2	788626863	UQRRBXVGPBJYPA-UHFFFAOYSA-N	322.405	1.503	50	20	DDGD	
O=C(CN1CCc2ccccc21)NNc1ncncc1Cl	781820004	ODGLUOMENIXKGD-UHFFFAOYSA-N	303.753	1.636	50	20	DDGD	
CCOC1CC(CC(=O)NNC(=O)c2cccc(OC)c2O)C1	789170849	JIIXVQSGHIBNCB-UHFFFAOYSA-N	322.361	1.367	50	20	DDGD	
CN(CC(=O)NNC(=S)NC(C)(C)C)C(=O)OC(C)(C)C	899995362	OBOVFUXQEGAOLP-UHFFFAOYSA-N	318.443	1.147	50	20	DDGD	
C#Cc1ccc(C(=O)NNc2nnc(-c3ccccn3)s2)cn1	788563869	VASVBPSNYOPJHG-UHFFFAOYSA-N	322.353	1.733	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cccnc1N1CCCC1	781815470	WGZNCHCKQPYVGI-UHFFFAOYSA-N	318.768	1.882	50	20	DDGD	
C[C@H](NCC(=O)NNC(=O)c1ccc(C#N)cc1)c1cccnc1	782984766	VNKVEGADPDOOQU-LBPRGKRZSA-N	323.356	1.065	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2cn(C)cn2)c1C	898615392	GTCDXZRYPSBZIK-UHFFFAOYSA-N	317.349	1.341	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1ccc(Cl)o1	788177118	IWMJZYAAGWKAKG-UHFFFAOYSA-N	304.697	1.666	50	20	DDGD	
COc1ccc(NNC(=O)c2cc([C@H]3CCCN3C)[nH]n2)nc1	897497283	YAQRKHIPOGKDMW-CYBMUJFWSA-N	316.365	1.337	50	20	DDGD	
Cc1cc(=NC(=O)NNc2ccc3c(=O)[nH]ccc3c2)cc[nH]1	794251492	YHYKEZOFHKBPPO-UHFFFAOYSA-N	309.329	1.802	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNC(=S)N[C@@H](C)C2CC2)c1C	794372610	DVUBVAYFZVUPMK-VIFPVBQESA-N	323.466	1.356	50	20	DDGD	
N#Cc1cccc(NC(=O)NNc2ccc(-n3ccnc3)nn2)c1	796655222	KWJJRCSHCOZRHV-UHFFFAOYSA-N	320.316	1.683	50	20	DDGD	
N#C/C(=C/c1cnn(-c2ccc(Cl)cc2)c1)S(N)(=O)=O	798232446	VAZWUHANQAQBRD-XGICHPGQSA-N	308.750	1.679	50	20	DDGD	
O=C(NN=Cc1ccc([N+](=O)[O-])c(O)c1)c1ccc(O)c(O)c1	794556746	FCKQMRHXKMJICC-UHFFFAOYSA-N	317.257	1.476	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H]1CCN(C)C(=O)C1	793928612	HYDQZBJFUIDPEU-NSHDSACASA-N	312.801	1.089	50	20	DDGD	
Cc1coc(SCC(=O)NNC(=O)c2cccc(C#N)c2)n1	790285325	FFEAZCGDMXXIEP-UHFFFAOYSA-N	316.342	1.408	50	20	DDGD	
COc1ccc(NNC(=O)Cc2ccc([S@](C)=O)cc2)nc1	797997522	MVSKAJNXPMQKSI-QFIPXVFZSA-N	319.386	1.513	50	20	DDGD	
COc1cccc(NNC(=O)[C@H]2CC(c3cccnc3)=NO2)n1	790869056	TWJSXXDUBPTTFG-GFCCVEGCSA-N	313.317	1.122	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cc[nH]c2C(C)C)n1	794619970	NILJIRWDXUENGP-UHFFFAOYSA-N	303.366	1.413	50	20	DDGD	
O=C(NNc1cncc(Br)c1)c1cccc[n+]1[O-]	1319761438	ARBKGABIBZQSSM-UHFFFAOYSA-N	309.123	1.234	50	20	DDGD	
CC(=NNC(=O)CCO)c1ccc(F)c(Br)c1	1318992311	LKLNYAGQIAGSHM-UHFFFAOYSA-N	303.131	1.811	50	20	DDGD	
Cc1ccccc1C(F)(F)C(=O)NNc1ccc(C(N)=O)nn1	1319617376	VXODKMLJVOSYOD-UHFFFAOYSA-N	321.287	1.119	50	20	DDGD	
O=C(Cc1c[nH]c2cnccc12)NNC(=O)NCc1ccco1	1324229094	GVFGNYBBFDIAIX-UHFFFAOYSA-N	313.317	1.229	50	20	DDGD	
CC(C)c1ncc(NC(=O)C(=O)NNc2ncccc2F)cn1	1323084560	XYOOKMWYWAUDIC-UHFFFAOYSA-N	318.312	1.216	50	20	DDGD	
Cc1cc([C@H](C)NC(=O)NNC(=O)C2CCNCC2)c(C)s1	1327471528	WLMACQGGNMENHQ-JTQLQIEISA-N	324.450	1.756	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccc(F)cc1OCC(F)F	1320280806	VASIZYIBOOUPFH-UHFFFAOYSA-N	321.255	1.005	50	20	DDGD	
C[C@]1(CNC(=O)NCc2csc(N)n2)C[C@H]1Br	1336152011	VTYUHSYOIVZUHT-GMSGAONNSA-N	319.228	1.698	50	20	DDGD	
NC(=O)N1CCC[C@@H](CNC(=O)c2cccc(CCl)c2)C1	1336494088	LYGSBSVBFCJVGB-LBPRGKRZSA-N	309.797	1.946	50	20	DDGD	
Cc1nnc(CNC(=O)NC[C@@]2(C)C[C@H]2Br)n1C	1334646223	CJCSVJSFFZERMK-LDYMZIIASA-N	316.203	1.096	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@H](c1ccc(F)cc1)C1CCC1	1339817533	IWBLLDLWBGZRTF-LBPRGKRZSA-N	323.324	1.170	50	20	DDGD	
COc1cccc(N2CCC(NS(=O)(=O)CCl)CC2)c1	1344125721	MNBWZBRJMBKVMY-UHFFFAOYSA-N	318.826	1.780	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H]2CCCCCN2)c1	1357740657	PLHZCSJZTDAAMQ-CQSZACIVSA-N	320.393	1.632	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)CCOCC1CC1	1607140313	PWPKZHWGVDHPRL-UHFFFAOYSA-N	308.334	1.653	50	20	DDGD	
CO[C@H](C(=O)NNc1ccc(C(=O)O)cn1)C1CCCCC1	1606651057	PPVHEHCXFWSCEA-ZDUSSCGKSA-N	307.350	1.818	50	20	DDGD	
Cn1ncc(C(=O)NNc2cccc(C(=O)O)c2)c1C1CC1	1601021099	PZCASUZVFAEGNU-UHFFFAOYSA-N	300.318	1.753	50	20	DDGD	
CCCn1cc(C(=O)NNc2ccc(F)c(C(=O)O)c2)nn1	1605385347	OSAVKJWHRXIXQM-UHFFFAOYSA-N	307.285	1.282	50	20	DDGD	
O=C(NN=C1CC[C@H](C(=O)O)C1)c1ccc2c(c1)OCCO2	1608477678	NDGDRIIRNOCBOB-JTQLQIEISA-N	304.302	1.428	50	20	DDGD	
CC1(C)CC[C@@H]1NC(=O)NNc1cccc(-c2nn[nH]n2)c1	1603771848	FTDGZRADPBIBLX-NSHDSACASA-N	301.354	1.681	50	20	DDGD	
O=C(O)[C@@H]1CCC[C@@H](C(=O)NNC(=S)NCC2CCC2)C1	1601804129	WJHFPTQFRBFANM-GHMZBOCLSA-N	313.423	1.173	50	20	DDGD	
COc1cc(-c2nn[nH]n2)ccc1C(=O)NNc1ccccc1C	1605161837	XWBFVESYVQKQBC-UHFFFAOYSA-N	324.344	1.941	50	20	DDGD	
Cc1[nH]nc(NC(=O)c2cccc(CCl)c2)c1-c1nn[nH]n1	1606015000	WPPURRLJSURFMI-UHFFFAOYSA-N	317.740	1.889	50	20	DDGD	
C[C@H](C(=O)O)N(C(=O)/C(C#N)=C\c1ccc(O)cc1)C1CC1	1609706614	ZVWMUBROTOVDFM-BKLZJWBFSA-N	300.314	1.763	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)N[C@@H]1CCN2CCC[C@@H]2C1	1608483734	YIVZMJUEQMNKLB-TZMCWYRMSA-N	318.377	1.638	50	20	DDGD	
C=C(CBr)CN1CC[C@@]2(CC(C(=O)O)=NO2)C1	1602771917	FERBFMBKEDYUQB-LLVKDONJSA-N	303.156	1.243	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1sc(C)nc1C	1549319989	XOQLRERKLIDMBF-QWHCGFSZSA-N	322.434	1.463	50	20	DDGD	
C=CC(C)(C)CNC(=O)NNc1cccc(-c2nn[nH]n2)c1	1588488952	ROYIZRKVKSFADB-UHFFFAOYSA-N	301.354	1.705	50	20	DDGD	
C[C@](CNC(=O)NNc1cccnn1)(C(=O)O)c1ccccc1	1589056493	OPOYUMCGDIJCFG-OAHLLOKOSA-N	315.333	1.145	50	20	DDGD	
Cc1ncc(C(=O)N2CC3(CCCN3C(=O)[C@@H](F)Cl)C2)[nH]1	1843362293	MLSOBRSKENSCKB-SNVBAGLBSA-N	314.748	1.070	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2ncccn2)C1	1842482154	RKDKLSOSNRIQCJ-NSHDSACASA-N	322.796	1.311	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H](Cc1ccc(F)cc1)C(=O)O	1596509592	QOLYIPCTBIIONE-STRFDMGBSA-N	306.293	1.382	50	20	DDGD	
CN(NC(=O)NCC1(C(=O)O)CCOCC1)c1ccccc1	1593766713	YOOICGOOWXKFQC-UHFFFAOYSA-N	307.350	1.218	50	20	DDGD	
CC1(CNC(=O)NNc2cccc(C(=O)O)c2F)CCNCC1	1594021044	ZNECYJABUBXCSV-UHFFFAOYSA-N	324.356	1.540	50	20	DDGD	
CN(C)c1cnc(C(=O)NNc2cccc(C(=O)O)c2F)cn1	1598348788	XLJTXFSUNSWYOL-UHFFFAOYSA-N	319.296	1.137	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)[C@@H]1C	1590333462	FBRYHKNBQGCQKA-COMAGPEQSA-N	316.365	1.369	50	20	DDGD	
Cc1cccnc1/C=C\C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1592263368	CTQDISCHJPRMHC-ALCCZGGFSA-N	322.332	1.122	50	20	DDGD	
CC[C@](COC)(NC[C@H](CBr)C1CC1)C(=O)O	1595194957	MQWRGJKMEFRCBQ-CMPLNLGQSA-N	308.216	1.877	50	20	DDGD	
CCCNC(=O)NN=Cc1ccc(OCC(=O)O)c(Cl)c1	1776039927	WZQFZSZUISJCTP-UHFFFAOYSA-N	313.741	1.847	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)c2ccc(CO)o2)c(Cl)c1	1776097120	LQFYEWHBZHHAAS-UHFFFAOYSA-N	322.704	1.887	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Cc2cccc(F)c2)c1	16005403	YVDUUWXDUUNEGP-UHFFFAOYSA-N	316.332	1.903	50	20	DDGD	
CN(CCc1nccs1)CC(=O)NNC(=O)c1cccs1	158017852	BSMLTDIZMCIGOZ-UHFFFAOYSA-N	324.431	1.140	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)/C=C/c1ccccc1	8194277	CQCKSJFCYBCDFD-MDZDMXLPSA-N	307.419	1.574	50	20	DDGD	
O=C1COc2cc(C(=O)NNc3ccccc3F)ccc2N1	153239839	GVMLOTJLICNTBV-UHFFFAOYSA-N	301.277	1.914	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCCc2csc(C)n2)[nH]n1	153370760	KQRYGBCXJUNPIC-UHFFFAOYSA-N	307.379	1.267	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CCN1C(=O)CCc2ccccc21	156273399	NGECMASMYWCCJS-UHFFFAOYSA-N	317.389	1.549	50	20	DDGD	
C[C@@H]1[C@H](O)CCN1S(=O)(=O)c1ccc(CCCl)cc1	832529875	PWULEJUHLKMOFJ-ZWNOBZJWSA-N	303.811	1.612	50	20	DDGD	
CC(C)OC(=O)CNS(=O)(=O)c1ccc(CCCl)cc1	308758641	CVQXYAPGULQOON-UHFFFAOYSA-N	319.810	1.698	50	20	DDGD	
Cc1cncc(C(=O)NCCSSCCC(=O)O)c1	2088599317	FKYOBQKMYRBQHB-UHFFFAOYSA-N	300.405	1.976	50	20	DDGD	
COCCN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H](F)Cl	2088605356	WAVCIKXDFFHUTD-GFCCVEGCSA-N	303.717	1.925	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cc(Cl)ccc2O)nc1	107760444	LWADJJCTCBLSDF-UHFFFAOYSA-N	316.704	1.387	50	20	DDGD	
C[C@H]1CC[C@H](CCC(=O)NNc2nc(-c3ccncc3)no2)O1	175895129	QQZSFPWLBPSNIE-CMPLNLGQSA-N	317.349	1.922	50	20	DDGD	
COc1ccnc(NNC(=O)Cn2cc(C)c3ccccc32)n1	50562387	NTLYMDLNDRTSQV-UHFFFAOYSA-N	311.345	1.892	50	20	DDGD	
COc1ccc(CCNC(=O)NNC(=O)CC(C)C)cc1OC	25111835	WDWMLRZZABIBEN-UHFFFAOYSA-N	323.393	1.623	50	20	DDGD	
CC(C)(C)c1ncsc1C(=O)NNC(=O)c1cccnc1	176399426	IEQGYDQJLLMEQZ-UHFFFAOYSA-N	304.375	1.910	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H](C)c2cn(C)nc2C)n1	175541606	GHNCPGRCEHISDR-SECBINFHSA-N	319.369	1.223	50	20	DDGD	
CCn1c(NNC(=O)c2ccc(C)nc2)nc2ccccc2c1=O	22416138	MQDLKCWEMPRIEY-UHFFFAOYSA-N	323.356	1.877	50	20	DDGD	
CC[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cccn1C	175132308	RFTHHCICFHYDMA-ZDUSSCGKSA-N	319.336	1.783	50	20	DDGD	
COc1ccc2c(ccn2CC(=O)NNC(=O)NC2CC2)c1	68266656	ABMYUECMXNWLFB-UHFFFAOYSA-N	302.334	1.143	50	20	DDGD	
CCNC(=O)NNC(=O)CCc1cnn(-c2ccccc2)c1	65190523	RDUWVAIITDPBNN-UHFFFAOYSA-N	301.350	1.155	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1ccc(OCC(C)C)cc1	29044007	SQGWOQWNKANTPD-UHFFFAOYSA-N	316.379	1.661	50	20	DDGD	
CCNC(=O)N1CC[C@@H](NC(=O)c2cccc(CCl)c2)C1	1353609561	IABLREVYQJWFSW-CYBMUJFWSA-N	309.797	1.959	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cccc3[nH]c(=O)oc23)cc1	119708492	OFELMWMHQFVDGN-UHFFFAOYSA-N	322.280	1.068	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCC(C#N)CC1	67483356	VJRKJRHJMKNOBX-UHFFFAOYSA-N	302.334	1.285	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cc2c(s1)CCC2	175792694	FWEZQPBAZFDQDM-UHFFFAOYSA-N	301.371	1.636	50	20	DDGD	
Cc1cc(NNC(=O)C[C@@H](C)NC(=O)c2ccccc2)ncn1	172276685	UVPGJYSESHCLFR-GFCCVEGCSA-N	313.361	1.437	50	20	DDGD	
Cc1cnn(CCC(=O)NNC(=O)Cc2ccccc2F)c1	66784388	IXPDJTPRJPMRMM-UHFFFAOYSA-N	304.325	1.111	50	20	DDGD	
CCc1nnsc1C(=O)NNc1cc(C#N)cc(Cl)n1	126132735	SLCLYOBVDCLROZ-UHFFFAOYSA-N	308.754	1.777	50	20	DDGD	
CCc1cc(NC(=O)NNC(=O)c2ccc(C#N)cc2)n(C)n1	185514469	KMQFYZILVDBIOH-UHFFFAOYSA-N	312.333	1.321	50	20	DDGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCC#N)c1C	126783573	WQFOPGLIFMAGBG-PWDRSIHYSA-N	300.362	1.859	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)COCCCOC)c1ccccc1	180637505	IGYHHDNYXONWFP-CQSZACIVSA-N	308.378	1.381	50	20	DDGD	
Cc1ccsc1CCCC(=O)NNC(=O)c1cnn(C)c1	123916600	SNEKVYJGAGMYDC-UHFFFAOYSA-N	306.391	1.574	50	20	DDGD	
CCn1cc(NC(=O)C(=O)NNc2ccc(F)cc2C)cn1	189191182	VYMYYHWEFVVDLH-UHFFFAOYSA-N	305.313	1.432	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CCc2ccccc2O)nc1	184269825	AGGFNLQOSVSXLW-UHFFFAOYSA-N	314.345	1.881	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	184677273	SJHNHSXPVFXFHR-SFYZADRCSA-N	302.252	1.985	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	124670355	RSTIZYFRXZELDA-QMMMGPOBSA-N	322.752	1.344	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc[nH]2)c(-c2cccs2)n1	132267133	CSKAKSFJVBSVKK-UHFFFAOYSA-N	315.358	1.552	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NCCCC2CCCC2)n1	46873036	RGYZREXKFOVAPF-UHFFFAOYSA-N	321.425	1.801	50	20	DDGD	
CCCCn1nccc1NC(=O)C(=O)NNc1ccccc1	185215046	IHZWVMVEONKZMW-UHFFFAOYSA-N	301.350	1.765	50	20	DDGD	
Cc1noc(CCC(=O)NNC(=O)c2ccc(Cl)cc2)n1	73720247	UZVKCGLYYCNMAN-UHFFFAOYSA-N	308.725	1.425	50	20	DDGD	
CCc1cc(NC(=O)NNC(=O)c2ccccc2O)n(C)n1	185508282	JHQGVPLAHPOZRB-UHFFFAOYSA-N	303.322	1.155	50	20	DDGD	
COc1ccnc(NNC(=O)NCC2(c3ccccc3)CC2)n1	45376598	OHYNBPSITYPBJQ-UHFFFAOYSA-N	313.361	1.843	50	20	DDGD	
CCc1nnc(NC(=O)NNC(=O)c2ccc(C#N)cc2)s1	182841452	YAKZWEPFKXNFGF-UHFFFAOYSA-N	316.346	1.439	50	20	DDGD	
CCCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1ccc(C)o1	84374215	GIDOOABOEMEGHR-LLVKDONJSA-N	307.350	1.140	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC(c2ccccc2)=NO1)c1ccncc1	192478439	CTAFAGGNYKRQLH-CQSZACIVSA-N	310.313	1.036	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cnc2ccccc2n1	191920245	RAUOBZYARDOUDQ-UHFFFAOYSA-N	305.301	1.429	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)C1(c2ccc(F)cc2F)CCC1	190076779	HWMSBZHPEVQDIF-UHFFFAOYSA-N	312.316	1.305	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNC(=O)Cc2ccccc2F)nn1	191525604	CYJACJWTVXVGSS-UHFFFAOYSA-N	319.340	1.176	50	20	DDGD	
Cc1nc(S)sc1CC(=O)NNC(=O)c1cccnc1	48389527	JSKOQNHQDFAMBN-UHFFFAOYSA-N	308.388	1.139	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc2oc(C(=O)OC)cc2c1	48351771	GOEWXRXSPLQOIP-UHFFFAOYSA-N	307.262	1.612	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNC(=O)NCc1ccc(Cl)cc1	191608868	IBLVWUNYJLBSGK-CQSZACIVSA-N	313.785	1.722	50	20	DDGD	
CCC(C)(C)NC(=O)c1ccc(NC(=O)NNC(=O)OC)cc1	47811038	WWZSNPMPPIJODJ-UHFFFAOYSA-N	322.365	1.998	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NN=Cc1cccc(O)c1	254624920	UPZAWOXOLIRWJK-UHFFFAOYSA-N	315.285	1.830	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)NC[C@@H](C)c1ccccc1	267247022	ZABBUWKMHNCEER-OLZOCXBDSA-N	323.393	1.172	50	20	DDGD	
O=C(NNC(=O)[C@@H]1OCCc2ccccc21)NC1CCCC1	269638024	BFUOCNNTACOKHA-CQSZACIVSA-N	303.362	1.573	50	20	DDGD	
Cn1ccnc1CNC(=O)NNC(=O)CCCc1ccccc1	264202051	QKLKAUGWOPIUCN-UHFFFAOYSA-N	315.377	1.273	50	20	DDGD	
Cc1nc2n(n1)C[C@H](NC(=O)NNc1c(F)cccc1F)CC2	265423398	GIYLIQPXJGZZJR-SECBINFHSA-N	322.319	1.506	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNC(=O)COCc1ccccc1	265663449	CCSZLQDPNVHOTN-OAHLLOKOSA-N	319.405	1.225	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCOCC2CC2)cc(C#N)n1C	264448667	HNAURXCGATUOQH-VIZOYTHASA-N	312.373	1.655	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNc2nc(O)c3ccccc3n2)O1	268185065	MDTVLRBVPZMGQR-JOYOIKCWSA-N	302.334	1.736	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1cc(F)cc(F)c1	274205287	MFLWPZMJWQBFPV-UHFFFAOYSA-N	315.276	1.459	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(Cl)ccc1F	276359168	ZVTGMPKTFJPKBN-UHFFFAOYSA-N	316.720	1.110	50	20	DDGD	
CCCCOc1ccc(NC(=O)C(=O)NNC(=O)OC)c(C)c1	274242048	SCTRPLWXYKUNHV-UHFFFAOYSA-N	323.349	1.500	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CC[C@@H](CC(N)=O)C1	368211121	FZLVBESZCOIEAF-BPLGCGBFSA-N	301.321	1.457	50	20	DDGD	
CC(C)[C@]1(C)C[C@@H]1C(=O)NNC(=O)CNC(=O)c1cccs1	274996675	ZTRZVWBXTSLSRO-BMIGLBTASA-N	323.418	1.308	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)NNC(=O)c1ccc[nH]1	276898026	DMLVRMCFUSRPMJ-ZJUUUORDSA-N	324.381	1.325	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)[C@@H]1OC[C@@H]2CCC[C@@H]21	377961248	GLSZIUUYSZPMFJ-DKCNOQQISA-N	316.283	1.754	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)C2(OC)CCC2)o1	273063773	YALKTTJRXSACMM-UHFFFAOYSA-N	323.393	1.452	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCOC[C@@H]1[C@H]1CCCO1	375660340	MEYIXBQIJBMUHP-VXGBXAGGSA-N	311.831	1.215	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C1(c2ccccc2C)CCOCC1	272980604	LVCDQDPWBFIBLG-UHFFFAOYSA-N	319.405	1.736	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)C2(C)COC2)cc1OC	272858671	RRBQPYXPVURSTR-UHFFFAOYSA-N	322.361	1.282	50	20	DDGD	
CSSCCNC(=O)CNC(=O)NCc1ccco1	284263887	XVMIYBOXCHPZNW-UHFFFAOYSA-N	303.409	1.206	50	20	DDGD	
C=CCNC(=S)NNC(=O)C(C)(C)c1cc(F)cc(C#N)c1	285044863	JHRRQJGBYMDVKS-UHFFFAOYSA-N	320.393	1.656	50	20	DDGD	
O=C(NNc1ncccc1F)[C@H]1CC(=O)N(CC(F)(F)F)C1	285896660	HHLOUHTVZSYGLC-ZETCQYMHSA-N	320.246	1.075	50	20	DDGD	
COC(=O)[C@@H]1CCCCCN1CCI	370705422	GVCKSKGXKPSJBK-VIFPVBQESA-N	311.163	1.839	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1ccc([N+](=O)[O-])cc1C)C(C)C	288695880	NKRFBWKJNDDSKL-LBPRGKRZSA-N	324.337	1.727	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H](CO)CC1CCC1	280064713	XDRVFYCSHRGDHM-GFCCVEGCSA-N	321.377	1.190	50	20	DDGD	
CN(NC(=O)c1cnc(O)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C	297130686	GYCCXGJEBIYTPY-UHFFFAOYSA-N	312.282	1.207	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNC(=O)c1cccc(Cl)c1	294277590	HETWXRZCVWFELC-SNVBAGLBSA-N	302.783	1.215	50	20	DDGD	
CSCc1cccc(CNC(=O)NNC(=O)[C@@H]2CCCO2)c1	292724475	SBZWWFVIQMLPEX-ZDUSSCGKSA-N	323.418	1.559	50	20	DDGD	
C#CCOc1cccc(NC(=O)NNC(=O)[C@@H]2CCCO2)c1	293014525	USGVKQRTNSBBAD-ZDUSSCGKSA-N	303.318	1.030	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CSC(F)F	294307852	JBKZPPODMFXZDA-SSDOTTSWSA-N	322.308	1.696	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)NCCc2cccs2)O1	800328150	HWBOIPBHXDBEMG-FOGDFJRCSA-N	311.407	1.435	50	20	DDGD	
C[C@@](O)(CCNC(=O)NNc1ccncn1)c1ccccc1	296989903	UJZHSCUMQJPXRY-OAHLLOKOSA-N	301.350	1.401	50	20	DDGD	
CCN1CCC(NC(=O)NNC(=O)c2cccc(Cl)c2)CC1	298645808	JOSGTTZLZWWJTQ-UHFFFAOYSA-N	324.812	1.768	50	20	DDGD	
O=C(Cc1cccc(Br)c1)NNC(=O)CC1CC1	294187806	OQPBCLQKSAMNME-UHFFFAOYSA-N	311.179	1.939	50	20	DDGD	
C#CCCCCC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802103962	NNIPPKCYCWYQHS-UHFFFAOYSA-N	303.318	1.762	50	20	DDGD	
CN(C)C(=O)CCNC(=O)NNc1cc(C(F)(F)F)ccn1	296287484	DHVFTOPJSGBHGA-UHFFFAOYSA-N	319.287	1.205	50	20	DDGD	
Cc1ncsc1CCNC(=O)NNC(=O)OC(C)(C)C	297482405	LMOWECODEXHHAZ-UHFFFAOYSA-N	300.384	1.733	50	20	DDGD	
C#CCO[C@H](C)C(=O)NNC(=O)Nc1ccc(C)cc1Cl	295696455	JQKIAYAYRDYVAU-SNVBAGLBSA-N	309.753	1.839	50	20	DDGD	
COc1cccnc1CC(=O)NNc1ccc2c(=O)[nH]ccc2c1	803430244	CNORTFOSRLJZPP-UHFFFAOYSA-N	324.340	1.618	50	20	DDGD	
CC(=O)c1ccc(CC(=O)NNC(=O)N=c2cc[nH]cc2)cc1	802031464	FAFNUDRGVAKMRU-UHFFFAOYSA-N	312.329	1.102	50	20	DDGD	
O=C(NNC(=O)c1ccc2nccnc2c1)NC1CCCCC1	298264732	CBSAEOYDJMJGIP-UHFFFAOYSA-N	313.361	1.907	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cc(-c2ccccc2)no1	802034051	YLSRWCMBAKOFIE-UHFFFAOYSA-N	323.312	1.625	50	20	DDGD	
O=C(Cn1c(=O)cnc2ccccc21)NNc1ncccc1F	804214736	OHXNCLIGHUIERM-UHFFFAOYSA-N	313.292	1.074	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)Cc2ccc(Cl)cc2)n1	814761802	CZOGESHKWJXUNQ-UHFFFAOYSA-N	321.768	1.264	50	20	DDGD	
C[C@H]1C(=NNC(=O)Cc2cc[nH]n2)CC[C@@H](C(=O)O)C1(C)C	814958122	ZOOSNCCDGSKAFV-ONGXEEELSA-N	306.366	1.581	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H]1CCc2nncn2C1	815218224	BMXDEZVQQSVLFY-VIFPVBQESA-N	318.289	1.363	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1cnnn1-c1ccccc1	814955046	SHVGURVFYBWUSE-UHFFFAOYSA-N	309.333	1.073	50	20	DDGD	
Cn1c(C=NNC(=O)Cc2cc[nH]n2)nc2cc(Cl)ccc21	814955953	FDOOYYUNDRVGSH-UHFFFAOYSA-N	316.752	1.643	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)c2cccc3ncccc23)cn1	814841579	RPJYKSJNENHKAP-UHFFFAOYSA-N	320.356	1.855	50	20	DDGD	
CN(NC(=O)[C@@H](CCS(C)(=O)=O)c1ccccc1)C1CC1	819651531	OCRVMOKEDKXLRD-AWEZNQCLSA-N	310.419	1.330	50	20	DDGD	
CNC(=O)c1cccc(NC(=O)NNc2ncncc2F)c1C	814559275	WLWBGNNJYIUFBK-UHFFFAOYSA-N	318.312	1.432	50	20	DDGD	
COc1cccc(C=NNC(=O)Nc2ccc3c(c2)OCO3)n1	814993653	CLJPABJQTJZUGH-UHFFFAOYSA-N	314.301	1.975	50	20	DDGD	
CCCC[C@H](C)N(C)CC(=O)NNC(=O)c1cccc(C#N)c1	810125726	KOYUSVPEMGHTGE-ZDUSSCGKSA-N	316.405	1.830	50	20	DDGD	
O=C(CCCCN1CCCC1)NNC(=O)c1ccc(Cl)nc1	729320843	KSXHPXMQFGQLOS-UHFFFAOYSA-N	324.812	1.762	50	20	DDGD	
CNc1ccccc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	816808946	GIIGNVXFERALBM-UHFFFAOYSA-N	314.301	1.711	50	20	DDGD	
CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1cc2ccccc2o1	728436950	KOIHBOOYGKNTNT-JTQLQIEISA-N	323.374	1.211	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1c[nH]c(C(F)(F)F)c1	816930055	SKRSFZKCYQVWLZ-UHFFFAOYSA-N	311.227	1.457	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1c(F)ccc2ccncc12	823810948	XUZGEXCGBIWEMQ-UHFFFAOYSA-N	320.324	1.354	50	20	DDGD	
N#CCSCC(=O)NNC(=O)c1cccc(OC(F)F)c1	728484616	DPNXHVYWKBXUKS-UHFFFAOYSA-N	315.301	1.306	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1	495826305	VPODNZLKHFCYEA-CYBMUJFWSA-N	306.366	1.023	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H](CO)Cc1ccncc1	490695309	MTLBUIPQYFKORI-HTRKUNOGSA-N	323.352	1.414	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@@H](CN1CCCC1)c1ccccc1	823922678	MCBNLQZDHGNGJR-ZBFHGGJFSA-N	305.422	1.210	50	20	DDGD	
COCC[C@H]1CCCC1=NNC(=O)CNC(=O)OC(C)(C)C	497224722	CIJJGCDVSJCTRH-LLVKDONJSA-N	313.398	1.820	50	20	DDGD	
CCN(CCO)NC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1	823874830	YTDDYJIKQDLSJP-LBPRGKRZSA-N	315.414	1.025	50	20	DDGD	
CCCCCCCC(C)=NNC(=O)[C@H](C)NS(C)(=O)=O	728434844	QXDXYHPNCWIWCF-LBPRGKRZSA-N	305.444	1.777	50	20	DDGD	
Cc1ccc(C[C@@H](CO)NC(=O)/C(C#N)=C\c2cnn(C)c2)cc1	491163334	WEPORUWBVJYIFX-UGIZUQJLSA-N	324.384	1.355	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H]2CCCC[C@H]2C(F)(F)F)o1	585031506	WJVSSXMYKUBKRK-GXSJLCMTSA-N	305.105	1.418	50	20	DDGD	
CCCCS(=O)(=O)CC(=O)NNc1cccc(Cl)n1	820299128	ZBJJEEXVRPVLKJ-UHFFFAOYSA-N	305.787	1.393	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@H]1CCN(C(=O)OC(C)(C)C)C1	496072806	ZTEOLKSOQALOFV-MMRAYRKESA-N	309.366	1.556	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cscn2)cc1C	728511334	JRVYDVMVRGVBDA-UHFFFAOYSA-N	305.359	1.600	50	20	DDGD	
Cc1cc(/C=C(\C#N)S(=O)(=O)N(C)C)ccc1-n1cncn1	588616003	MQVPBRKDZHPJHX-NTUHNPAUSA-N	317.374	1.332	50	20	DDGD	
CCCN(CC)C(=O)c1ccc(C(=O)NNC(=O)NC)cc1	729340693	LGGGEIXWJBIJHF-UHFFFAOYSA-N	306.366	1.133	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCCCN2CCCCC2)cn1	491129954	IBPWPYKFZMCXPP-GDNBJRDFSA-N	301.394	1.319	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc([N+](=O)[O-])ccc1SC	822547480	MHTKCUFNSKMLHE-UHFFFAOYSA-N	314.392	1.398	50	20	DDGD	
Cc1c[nH]ccc1=NC(=O)NNc1cccc(-c2nn[nH]n2)c1	826319846	VWBIISQLZRDZFB-UHFFFAOYSA-N	310.321	1.141	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NNC(=O)Cc1ccncc1	490871590	AGDJUGGHWDFZRV-ZROIWOOFSA-N	324.315	1.518	50	20	DDGD	
C[C@@]1(CNC(=O)c2cccc(B(O)O)c2)C[C@H]1c1ccccc1	584993643	YQAVNGOLOOGQMU-WMZOPIPTSA-N	309.174	1.290	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1ccccc1C#N	495652082	OKSVSOFULJOFTD-UHFFFAOYSA-N	316.361	1.923	50	20	DDGD	
CN1[C@H]2CC[C@H]1CC(NC(=O)[C@@]1(C)C[C@@H]1Br)C2	909206424	MENPWRBSCZCERI-ZPFDUUQYSA-N	301.228	1.901	50	20	DDGD	
CCc1ccc([C@H]2COCCN2CC(=O)NNC(=O)C(C)C)o1	827858468	BCIDNPZVVAAGHP-CYBMUJFWSA-N	323.393	1.019	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)nc(N)n1	828371619	LXNXCJVKZLPSDE-YYAFLBMPSA-N	311.389	1.204	50	20	DDGD	
C[C@@]1(C(=O)NNc2c(Cl)cccc2Cl)CCNC1=O	820969288	ONADZISVPZKZKB-GFCCVEGCSA-N	302.161	1.963	50	20	DDGD	
CCc1ccc(-c2cc(C(=O)NNC(=O)N(C)C)no2)cc1	900426964	CZLSHKSJVLFEEX-UHFFFAOYSA-N	302.334	1.820	50	20	DDGD	
CCCN(NC(=O)[C@H]1CCCS1(=O)=O)C(=O)OC(C)(C)C	496240640	XQKDYSPYIWMNML-SNVBAGLBSA-N	320.411	1.242	50	20	DDGD	
CC(C)(C)C(=O)C(=O)NNC(=O)c1cccc(OC(F)F)c1	733931375	VGTSZFGELBYAPU-UHFFFAOYSA-N	314.288	1.664	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1cn2cc(Cl)ccc2n1	588616164	VGLMZACSBLVRKX-VZUCSPMQSA-N	310.766	1.744	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H]1c1cccs1	584923676	BKANCWMXHXDFGW-CYBMUJFWSA-N	301.176	1.405	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	493915040	QXMUHMBOLBHFHK-UHFFFAOYSA-N	322.365	1.066	50	20	DDGD	
O=S(=O)(CCl)N1CCCN(c2ncccc2F)CC1	831210836	KYGHKVRGDDRDOV-UHFFFAOYSA-N	307.778	1.259	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1ccnn1CC1CC1	836543031	OLHQNOTYDNHSAO-LLVKDONJSA-N	307.354	1.015	50	20	DDGD	
CC(C)Cc1ncc(CNCc2ccccc2B(O)O)s1	585029048	BPOIBBDWZOQFOF-UHFFFAOYSA-N	304.224	1.311	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H]1CC(c2cc(C)ccc2C)=NO1	900392182	DNRQBUKZIIWVBS-CQSZACIVSA-N	318.377	1.537	50	20	DDGD	
CC(C)NC(=S)NNC(=O)NCc1ccc(Cl)cc1	732928391	HWCMNSWVWNGIMR-UHFFFAOYSA-N	300.815	1.927	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H]2CC23CCNCC3)cccc1[N+](=O)[O-]	831173631	RBKFTDCPEGBSPO-CYBMUJFWSA-N	319.365	1.671	50	20	DDGD	
C/C(C=NNC(=O)[C@H]1CCS(=O)(=O)C1)=C\c1ccccc1	730575953	JUVMRRBLMSRPKI-QMFDTQIOSA-N	306.387	1.627	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1[C@H](C)c1nc(-c2ccc(B(O)O)cc2)no1	585054438	LYNAZPHTRVKWNC-IJLUTSLNSA-N	315.182	1.350	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@@H](C)C#N)c1	736666493	JAASWWGPFSWURA-LBPRGKRZSA-N	303.362	1.804	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1CC(c2cc(C)ccc2C)=NO1	908116335	YAMVLXSXURSOQK-OAHLLOKOSA-N	305.378	1.406	50	20	DDGD	
C[C@]1(C(=O)Nc2ccc(CC(N)=O)cc2)C[C@@H]1Br	906084030	VUBGRXGAGSDDCM-GWCFXTLKSA-N	311.179	1.826	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccn1)[C@H]1C[C@]12CCOC2	832968898	QQHISMXNRXZAKR-SKDRFNHKSA-N	301.268	1.970	50	20	DDGD	
C[C@]1(C(=O)NCCC(=O)N2CCCCC2)C[C@H]1Br	906253899	WKOPUYKDJITDFQ-MFKMUULPSA-N	317.227	1.679	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)Cc1ccc(Cl)cc1	739680247	FHMIVMXFPGHFOJ-UHFFFAOYSA-N	307.737	1.894	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC(F)(F)F)c(C2CC2)n1	836786247	ZGDLVUJLADERJM-UHFFFAOYSA-N	316.283	1.774	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNc1nccnc1C1CCC1	839765860	XHHZCPRPIVBJNL-LLVKDONJSA-N	305.382	1.335	50	20	DDGD	
O=C(NCC(Cl)Cl)[C@@]1(O)CCN(Cc2ccccc2)C1	837649133	NSVCPBSKOCVYMY-CQSZACIVSA-N	317.216	1.543	50	20	DDGD	
CC(C)c1nn(C)cc1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	831769848	ZVKKSUBPIZVHKG-VHSXEESVSA-N	309.370	1.121	50	20	DDGD	
CCS[C@@H]1CCCCN(C(=O)c2ccc(B(O)O)cc2)C1	584946127	YBRJGEGENMWCLC-CQSZACIVSA-N	307.224	1.114	50	20	DDGD	
CC(=O)Nc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	831127182	FSHBZIKMGGSGRQ-RNCFNFMXSA-N	320.349	1.223	50	20	DDGD	
C[C@@H](c1cccc(O)c1)N(C)CC(=O)NNC(=O)C(C)(C)C	744402113	JDKBLPRIEUFUML-NSHDSACASA-N	307.394	1.579	50	20	DDGD	
CC(=NNC(=O)C1CC1)c1ccc(N2CCOCC2)c(F)c1	916290875	YVSPYLOEPQTZSN-UHFFFAOYSA-N	305.353	1.913	50	20	DDGD	
C[C@H]1CCC[C@@H](NC(=O)NNC(=O)N=c2cc[nH]cc2)CC1	838565931	LEPALLDIFHPINI-NWDGAFQWSA-N	305.382	1.808	50	20	DDGD	
Cc1cc(C)n(-c2ccc(C(=O)NN(C)C[C@@H](C)O)cc2F)n1	910167427	KXEBOQRBNGMFKC-GFCCVEGCSA-N	320.368	1.586	50	20	DDGD	
O=C(CNC(=O)C1CC1)NNc1ccc(C(F)(F)F)cc1	747614122	LIZSCHIKWJRXOO-UHFFFAOYSA-N	301.268	1.675	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C1C(=O)Nc2cccc(Cl)c21	842555605	MDCBBBWVEUWWQR-YUMQZZPRSA-N	307.737	1.537	50	20	DDGD	
COCCOc1ccc(C(C)=NNC(=O)C(=O)NC(C)C)cc1	915956182	SJKXQRPZTGCIJM-UHFFFAOYSA-N	321.377	1.077	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1ccc(Cl)c([N+](=O)[O-])c1	747654641	YPUZJEMKUDCJBH-UHFFFAOYSA-N	308.681	1.651	50	20	DDGD	
CC(C)(CC(=O)NNC(=O)CN1CCCC1=O)c1ccccc1	913730896	MTKNTSBTMYHEEC-UHFFFAOYSA-N	317.389	1.124	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2cc(F)c(F)cc2F)CCN1	841989318	VAJXRUGZCMWIKJ-JGVFFNPUSA-N	302.300	1.871	50	20	DDGD	
CCNC(=O)COc1ccc(/C=C(/C#N)C(=O)O)cc1OC	915841222	AXJVUJBJSOXAQY-WDZFZDKYSA-N	304.302	1.202	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H]1CC[C@H](SC)C1	743598903	NWCYOIJIWVVRBT-MNOVXSKESA-N	323.418	1.923	50	20	DDGD	
Cc1nn(C(C)(C)C)cc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843970128	BKRYRKMPPXQBOI-QWRGUYRKSA-N	308.382	1.133	50	20	DDGD	
NC(=O)[C@H]1CC[C@H]1C(=O)NNc1ccccc1OC(F)(F)F	847767657	NVXXNPDKCKVURN-JGVFFNPUSA-N	317.267	1.540	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2ccc(OC)cn2)CCCC1	843861239	PHUJRZHHTJUALR-UHFFFAOYSA-N	307.350	1.657	50	20	DDGD	
Cc1nc(C)c(CNC(=O)NNC(=O)CC(F)(F)F)s1	745861955	QXYKATODCDKTDE-UHFFFAOYSA-N	310.301	1.543	50	20	DDGD	
COc1cc(C=NNC(=O)Cc2ccc(F)cc2)cc(O)c1O	916351757	QNGPGHLZXKSRQN-UHFFFAOYSA-N	318.304	1.938	50	20	DDGD	
Cc1cc(F)cc(S(=O)(=O)NNC(=O)NCC2CC2)c1	747609618	WGXRZLWDTNLTOQ-UHFFFAOYSA-N	301.343	1.037	50	20	DDGD	
CSc1cccc(C(=O)NNC(=O)NCC(F)(F)F)n1	843876377	LRBXHNSIPHONHU-UHFFFAOYSA-N	308.285	1.310	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)NCC2CC2)cc(C)c1F	742028510	PTSWIDRPGIPYBE-UHFFFAOYSA-N	315.370	1.345	50	20	DDGD	
CO[C@]1(C=NNC(=O)CSc2ccc(C)cc2)CCOC1	841611899	BXZCEALPEFOLAV-HNNXBMFYSA-N	308.403	1.995	50	20	DDGD	
CCOc1ccc(C=NNC(=O)C(=O)N2CCCC2)cc1OC	748137439	GVJMECGGKCXVCV-UHFFFAOYSA-N	319.361	1.166	50	20	DDGD	
CCC(=NNC(=O)[C@H](C)CN1CCOCC1)c1ccccc1	916363750	YIFANRPUZMUDIP-CQSZACIVSA-N	303.406	1.885	50	20	DDGD	
C[C@@H]1Cc2cc(S(=O)(=O)NCCCSC#N)ccc2O1	916971803	ILQMKINYQSWJRP-SNVBAGLBSA-N	312.416	1.893	50	20	DDGD	
CCn1cc(C=NNC(=O)c2cc([N+](=O)[O-])ccc2O)cn1	741772156	WEWFAMLVTZERQX-UHFFFAOYSA-N	303.278	1.281	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)[C@H]1CCO[C@@H]1C)OCO2	842550996	BBXIVFCIPAQWFZ-KOLCDFICSA-N	306.318	1.299	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1ccccc1Br	746222527	KUZBQCWDHARREI-UHFFFAOYSA-N	314.183	1.936	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCc1cc(=O)cc[nH]1	910399221	KKRUXTHSXDBEOX-SNVBAGLBSA-N	301.184	1.801	50	20	DDGD	
Cc1nn(C)c2ncc(C=NNC(=O)c3ccc(O)cc3)cc12	747602818	QNTBRUQUWVBUBV-UHFFFAOYSA-N	309.329	1.746	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)c1cccc(C)n1)CC(C)C	841585726	JJRKTGDQIFYZEI-GFCCVEGCSA-N	308.382	1.395	50	20	DDGD	
C[C@@H](c1ccccc1)[C@](C)(O)C(=O)NNC(=O)c1ccncc1	747348233	GHTTYFVCSVOBGN-SJCJKPOMSA-N	313.357	1.397	50	20	DDGD	
Cc1noc(C(F)(F)F)c1C(=O)NNC(=O)NC1CCCC1	746177100	APJIBGCYZBVKDR-UHFFFAOYSA-N	320.271	1.888	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C/C=C/c1ccc(F)cc1	747755843	WZCDGEPBCAQFAO-UROLHEAASA-N	319.380	1.909	50	20	DDGD	
Cc1cc(C)c(NNC(=O)N[C@@H]2CCCN(C)C2=O)c(C)c1	748663252	IVXWVECEQRSDFQ-CYBMUJFWSA-N	304.394	1.859	50	20	DDGD	
C[C@H]1C(=NNC(=O)c2ncccn2)CCN1Cc1ccccc1	841664854	DPJAFIGPPZKRGZ-ZDUSSCGKSA-N	309.373	1.857	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)CCCCCS(N)(=O)=O	845856094	QUDGPBDYXNAZIM-UHFFFAOYSA-N	317.386	1.426	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NN=Cc1cnc2n1CCC2	853273985	FNMGLNBIACIKRR-LLVKDONJSA-N	316.336	1.886	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2ccc(Br)nc2)n[nH]1	756878660	CLKLEKOHXULQPH-UHFFFAOYSA-N	322.166	1.568	50	20	DDGD	
Cc1c(C(=O)NNc2cnnn2C)cnn1C1CCCCC1	857273116	MIGYTLGOLLMSHW-UHFFFAOYSA-N	303.370	1.582	50	20	DDGD	
O=C(NN=C1CCC2(CC1)C(=O)Nc1ccccc12)c1cc[nH]n1	853392633	PDYLUIDMEORIIS-UHFFFAOYSA-N	323.356	1.960	50	20	DDGD	
COC(=O)c1coc(C=NNC(=O)COc2ccc(C)cc2)c1	758081699	BPZZBMWBBXTXAU-UHFFFAOYSA-N	316.313	1.904	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCCC(F)(F)CC1	859537070	RGGDRWADOQUKLN-NSHDSACASA-N	305.369	1.690	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNc1ccccc1S(C)(=O)=O	752128198	YXECEGHQYSTXTO-SNVBAGLBSA-N	300.380	1.348	50	20	DDGD	
C[C@H]1C[C@H](CCNC(=O)NNC(=O)c2cccc(F)n2)CCO1	852251642	YQAJPYCJHCUGNG-WDEREUQCSA-N	324.356	1.370	50	20	DDGD	
CCN(CCC#N)S(=O)(=O)NC[C@@]1(C)C[C@H]1Br	856752659	LCKWOJDXWFBFCO-NXEZZACHSA-N	324.244	1.230	50	20	DDGD	
COc1ccc(C(=O)CCC(=O)NNC(=O)CC(C)C)cc1F	751322932	GLCBMJZQIBEGFS-UHFFFAOYSA-N	324.352	1.991	50	20	DDGD	
COCc1cc(C(=O)NNc2ccc(C(F)(F)F)nn2)no1	755189637	UTQSWMCOHUQHLA-UHFFFAOYSA-N	317.227	1.387	50	20	DDGD	
CN(C)C1(CNC(=O)NC[C@]2(C)C[C@H]2Br)CC1	922984315	ZFLHGJINBKDVRF-KOLCDFICSA-N	304.232	1.553	50	20	DDGD	
O=C(NCc1ccco1)NN=Cc1cc2c(cc1O)OCO2	920829757	QSHJJVLGOIUUFQ-UHFFFAOYSA-N	303.274	1.547	50	20	DDGD	
CC(C)(C)n1nnc(C=NNC(=O)c2cc3c(s2)CCC3)n1	853272928	UPLDZRMSOWNZOJ-UHFFFAOYSA-N	318.406	1.742	50	20	DDGD	
CC(CN1C(=O)CCC1=O)=NNC(=O)c1cccc(N(C)C)c1	754912220	WJFGSNCHIGZADL-UHFFFAOYSA-N	316.361	1.007	50	20	DDGD	
CC(C)C(=O)NNC(=O)CCc1ccccc1N1CCOCC1	854214970	WOWIOGZVEGKFSA-UHFFFAOYSA-N	319.405	1.259	50	20	DDGD	
CN1CC[C@@H](C(=O)OC[C@H](CBr)C2CC2)C1=O	859642032	NQQCUQDPICJJGT-VHSXEESVSA-N	304.184	1.429	50	20	DDGD	
CN1CCC[C@@H](NC(=O)NNc2ccc(Cl)cc2F)C1=O	921313211	ODDVJBZQHSCSSK-LLVKDONJSA-N	314.748	1.726	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccccn2)c(OC)c1	755392497	QHJXEIQXMXYVHS-UHFFFAOYSA-N	316.317	1.565	50	20	DDGD	
C[C@@H]1C[C@H]1c1ccc(C=NNC(=O)CNC(=O)c2ccco2)o1	750936689	LYLQVWGVFDTTLC-ZYHUDNBSSA-N	315.329	1.876	50	20	DDGD	
CC(C)(C)CC=NNC(=O)Cn1nnc(-c2ccccc2)n1	755491245	OKNUEJYJUMENQD-UHFFFAOYSA-N	300.366	1.878	50	20	DDGD	
C[C@H](NC(=O)NC[C@]1(C)C[C@@H]1Br)c1ccn(C)n1	856864943	RBWHXEMEMZFSCO-PEXQALLHSA-N	315.215	1.954	50	20	DDGD	
Cn1nnc2c1C[C@@H](C(=O)NNc1ccc(Cl)cn1)CC2	856092172	PNVLOKQTSDVMCQ-QMMMGPOBSA-N	306.757	1.112	50	20	DDGD	
CCC[C@H](O)C(=O)NNC(=O)c1ccc(CN(CC)CC)o1	930649216	BAULSMDBTQXJPV-LBPRGKRZSA-N	311.382	1.043	50	20	DDGD	
NC(=O)c1ccc(CNC(=O)NNc2ccc(Cl)nc2)cn1	753952818	DARRTLAUJMPWOJ-UHFFFAOYSA-N	320.740	1.055	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(NC(C)=O)c(Cl)c1	935291190	MAUAMUIOPBZXKD-UHFFFAOYSA-N	312.757	1.605	50	20	DDGD	
CCOC(=O)N1CCC[C@@H](C(=O)NN[C@@H](C)C(F)(F)F)C1	862307423	KWZCFIZVYQEFBL-DTWKUNHWSA-N	311.304	1.427	50	20	DDGD	
Cc1nc(C)c(CCC(=O)NN=c2cc[nH]c(C)c2)c(O)n1	863934118	FNKSUZQNJKSGBQ-UHFFFAOYSA-N	301.350	1.000	50	20	DDGD	
C[C@H](NNC(=O)c1csc(S(C)(=O)=O)c1)C(F)(F)F	862315902	GZYKHTXFVILWTA-YFKPBYRVSA-N	316.326	1.337	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cccc2[nH]ncc12	863095056	DXHYVZBBXONWKV-UHFFFAOYSA-N	301.350	1.318	50	20	DDGD	
Cc1cc(CCCC(=O)NNC(=O)c2cn[nH]c2)c(C)s1	862472553	MKVMBRIIEQYLLL-UHFFFAOYSA-N	306.391	1.872	50	20	DDGD	
Cc1csc(C(=O)NNS(=O)(=O)c2c(C)n[nH]c2C)c1	863417633	WUTZGROEGXIUDD-UHFFFAOYSA-N	314.392	1.020	50	20	DDGD	
CN(CC(=O)NNC(=O)CSc1ccccc1O)C1CCC1	863902200	LUGFSQVQDZADLZ-UHFFFAOYSA-N	323.418	1.116	50	20	DDGD	
COc1ccsc1C(C)=NNC(=O)Cc1cc(O)nc(O)n1	769788802	ACYQFFAUZUFLBJ-UHFFFAOYSA-N	322.346	1.041	50	20	DDGD	
Cc1ccn2ncc(C(=O)NNC(=O)c3ccccc3O)c2c1	766835675	XWYRZJZVNQXOQY-UHFFFAOYSA-N	310.313	1.423	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2cncs2)n1	767748369	FTSYACGSNXSARF-UHFFFAOYSA-N	307.404	1.792	50	20	DDGD	
CS(C)(=O)=Nc1cccc(NCc2cccc(B(O)O)c2)c1	864015678	RUTLJFBTCLFCPW-UHFFFAOYSA-N	318.207	1.338	50	20	DDGD	
COCc1cc(C(=O)NNc2ccc(OC)cc2[N+](=O)[O-])no1	768331490	GIPUJMPOEURSJH-UHFFFAOYSA-N	322.277	1.495	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)[C@@H](F)c1ccccc1	769648995	XLGYGAIESAKFOQ-HNNXBMFYSA-N	301.321	1.957	50	20	DDGD	
Cc1ccc(NNC(=O)/C=C/CN2CCOCC2)c(Cl)c1	868736009	WGQQSOPOOAUXQP-NSCUHMNNSA-N	309.797	1.980	50	20	DDGD	
COc1ccsc1C=NNC(=O)[C@H](C)CN1CCOCC1	764668253	YTVZANHZWYLAAN-LLVKDONJSA-N	311.407	1.175	50	20	DDGD	
COCCCNC(=O)NNC(=O)C(C)(C)c1cccc(OC)c1	865016437	IMLJGCBAPJJZRV-UHFFFAOYSA-N	323.393	1.340	50	20	DDGD	
Cn1ccnc(NNC(=O)c2ccc3sccc3c2)c1=O	761572324	NMCDDRBMPIORCC-UHFFFAOYSA-N	300.343	1.752	50	20	DDGD	
COc1ccc(C(=O)C(=O)NNc2ncc(F)cn2)cc1Cl	760926646	ZCDYOXNGNNMBQF-UHFFFAOYSA-N	324.699	1.604	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccc(-n2ccc(C)n2)c1	1116511164	MLHOEAOQXZDKAU-UHFFFAOYSA-N	301.350	1.487	50	20	DDGD	
C[C@H]1COCCN1CCNC(=O)NNc1cc(Cl)ccn1	1116566003	LPBBGDSXGWNRJV-JTQLQIEISA-N	313.789	1.082	50	20	DDGD	
CCc1cccnc1C(=O)NNC(=O)COc1ccc(C)cc1	766553185	AMCHAVRGAPNOQE-UHFFFAOYSA-N	313.357	1.792	50	20	DDGD	
COC(=O)c1ccc(C(C)=NNC(=O)c2cnn(C)c2)cc1	767786091	VGMCMJQAIRBTKS-UHFFFAOYSA-N	300.318	1.361	50	20	DDGD	
O=C(NN=Cc1cn(C[C@H]2CCCO2)nn1)NC1CCCCC1	872329018	FSQHIVVGMQMYNP-CQSZACIVSA-N	320.397	1.423	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=S)Nc1ccc(OC)nc1	874953877	KESATRCPDYQCBR-JTQLQIEISA-N	324.406	1.389	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc2nccnc2c1	872354147	LTEJJPUDPYSQMD-UHFFFAOYSA-N	313.361	1.385	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NNC(=O)Cn2cnc3ccccc32)C1	776338091	FOEBQJNNJVQAFJ-NEPJUHHUSA-N	300.362	1.620	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)c1cccc(C)c1	772143674	RDJLAROJAANSLH-RYUDHWBXSA-N	306.362	1.588	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cccc(Br)n2)n[nH]1	777881543	FAGIGUNMNSXSSQ-UHFFFAOYSA-N	322.166	1.568	50	20	DDGD	
C#CC[C@H](CCOC)NC(=O)c1c(C)nn(CCCl)c1C	876072799	AKFZZZMJUDWYBV-CYBMUJFWSA-N	311.813	1.897	50	20	DDGD	
CO[C@@H](C)CCC(=O)NNC(=O)c1nc2ccccc2s1	874914087	KMSHXPCDDFJQKP-VIFPVBQESA-N	307.375	1.872	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1CCOc2c(OC)cccc21	875204795	WVKSMEZVTUGOLN-JTQLQIEISA-N	309.322	1.431	50	20	DDGD	
COCc1nocc1C(=O)NNc1nc(-c2ccccc2)no1	1117707373	NJGDGPWDGTVTSR-UHFFFAOYSA-N	315.289	1.628	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1ccnn1CC1CCC1	878857148	NIABUOXPTLFVSJ-UHFFFAOYSA-N	306.757	1.884	50	20	DDGD	
CCn1cnnc1CNC(=O)NNc1cccc(F)c1Cl	875096802	HTNHZLDWACOWSD-UHFFFAOYSA-N	312.736	1.917	50	20	DDGD	
CNC(=O)CCCC(=O)NNC(=S)Nc1ccc(C)cc1C	873759427	SQMSIVAAMNVBPL-UHFFFAOYSA-N	322.434	1.537	50	20	DDGD	
COc1ccncc1NC(=O)C(=O)NNc1cccc(C#N)c1	773681731	BPSSXRFAECXOMV-UHFFFAOYSA-N	311.301	1.044	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2csc(C=O)c2)c1	776714936	MJUYLVBVLNRYSD-UHFFFAOYSA-N	324.383	1.721	50	20	DDGD	
COCCCn1cc(C(=O)NNc2cc(F)ccc2F)cn1	885140155	RFLLMQJJJRJZNS-UHFFFAOYSA-N	310.304	1.955	50	20	DDGD	
CNc1nc(C)cc(C(=O)NNC(=O)c2ccccc2F)n1	773707315	RUCAVSGYOAJXPB-UHFFFAOYSA-N	303.297	1.041	50	20	DDGD	
C=C1CCC(C(=O)NNC(=O)Cc2cn3ccccc3n2)CC1	889328349	XVWLCOFHZZYNOX-UHFFFAOYSA-N	312.373	1.771	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@H]2C[C@H]3CC[C@H]2O3)cc1O	882051233	OVJCIRYPFWYMAY-YRGRVCCFSA-N	304.346	1.419	50	20	DDGD	
Cc1noc([C@@H]2CCCN(S(=O)(=O)CCCCl)C2)n1	881804749	RBCVULGCESRLMA-SNVBAGLBSA-N	307.803	1.516	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1c(F)cc(F)cc1F	885152004	SOBGZCJXJDXZMU-UHFFFAOYSA-N	303.284	1.853	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cccc(Cn2cccn2)c1	770333216	AXGRGUZSHHMLHZ-UHFFFAOYSA-N	301.350	1.740	50	20	DDGD	
COc1cc(C)ccc1C(=O)NNc1cc(Cl)nc(N)n1	781012389	UKKVATDGJSWUDA-UHFFFAOYSA-N	307.741	1.786	50	20	DDGD	
CCOC(=O)CCCNC(=O)NNc1ncncc1Cl	780950084	BSVCZNNICLUKRH-UHFFFAOYSA-N	301.734	1.099	50	20	DDGD	
O=C(CN1CCc2ncsc2C1)NNC(=O)c1cccs1	782633876	BDHWNPFHDBCWBH-UHFFFAOYSA-N	322.415	1.024	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H]2CCC[C@@H]2OC)c1	780841011	JPORZCWYRIPZAZ-JSGCOSHPSA-N	321.377	1.914	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(C)(C)c1ccccc1OC	887143125	MHHOGYSFIWYYSR-UHFFFAOYSA-N	302.374	1.924	50	20	DDGD	
O[C@@]1(Cc2cn(/C=C\CBr)nn2)CCSC1	881294859	FISQRVHUMZEWCI-GAGJOLBNSA-N	304.213	1.554	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCCC2)NNC(=O)c1cccnn1	882061572	KYZYYUURSYUPSV-UHFFFAOYSA-N	310.357	1.359	50	20	DDGD	
CS[C@@H]1CCC[C@@H](NC(=O)NNC(=O)C2CCOCC2)C1	883425396	SSNQTVSPIYGOTP-VXGBXAGGSA-N	315.439	1.418	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1c2c(nn1C)CCCC2	880620920	RHRSROPAWFPQAM-UHFFFAOYSA-N	316.365	1.104	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)O[C@@H](Cc1ccc(F)cc1)C(N)=O	786677589	IKWXXBBUMOKWAR-VDBIKXPHSA-N	302.305	1.625	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2ncncc2Cl)ccn1	781811752	CUZUFXHUPHRNKP-UHFFFAOYSA-N	307.697	1.069	50	20	DDGD	
CC(C)(O)C(=O)NN=CC(C)(C)[C@H](C[N+](=O)[O-])c1ccccc1	785457783	GNRFASXWGRCPHD-CYBMUJFWSA-N	321.377	1.946	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)CCc1ccc(O)nc1	787285474	ZZXYNHPWPPKOLP-UHFFFAOYSA-N	313.357	1.500	50	20	DDGD	
Cc1coc(C)c1C(=O)NNC(=O)[C@H]1COc2ccccc2O1	785681533	BKGAQFSRXYZOOL-CYBMUJFWSA-N	316.313	1.497	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCC(C)CC1)c1nccnc1C	783513400	ABLXCQLALBOGOU-CYBMUJFWSA-N	317.437	1.993	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NC[C@@H]2CCC=CO2)c1	780754125	COQXPSYGQCVZRC-AWEZNQCLSA-N	319.361	1.397	50	20	DDGD	
COCc1cc(C=NNC(=O)COc2cc(C)ccc2C)no1	794868639	OGEFUMQTESUFAK-UHFFFAOYSA-N	317.345	1.967	50	20	DDGD	
CCc1noc(COCC(=O)NNc2ccc(F)cc2OC)n1	898700733	VDCFHWUDNMVLAL-UHFFFAOYSA-N	324.312	1.440	50	20	DDGD	
CC(C)c1ncc(NC(=O)C(=O)NNc2cccc(F)c2)cn1	797042218	ASNSUHNAWVYTRG-UHFFFAOYSA-N	317.324	1.821	50	20	DDGD	
O=C(COC[C@@H]1CCCO1)NNc1cccc(F)c1[N+](=O)[O-]	791076464	PYGTXSRJNAQMLX-VIFPVBQESA-N	313.285	1.373	50	20	DDGD	
CC(=O)N1CCC[C@@H](C(=O)NNc2cccc(F)c2[N+](=O)[O-])C1	791066749	JCGFWHOUHMIXIS-SNVBAGLBSA-N	324.312	1.436	50	20	DDGD	
CC(=NNC(=O)c1ccncc1)c1cccc(N2CCC2=O)c1	794857393	YXGLWVFANFCUCY-UHFFFAOYSA-N	308.341	1.972	50	20	DDGD	
Cc1nc(COC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)n[nH]1	795311843	FMUYMYIGBGDVQE-QCDXTXTGSA-N	310.317	1.282	50	20	DDGD	
COc1ccc(Cn2cc(NC(=O)NNC(C)=O)cn2)cc1	794388709	FVAZGVKVRHXKSG-UHFFFAOYSA-N	303.322	1.113	50	20	DDGD	
C[C@@H]1CSCC1=NNC(=O)c1nnc(O)c2ccccc12	794874097	YJNOZODTTXWEII-MRVPVSSYSA-N	302.359	1.804	50	20	DDGD	
CC(COC(C)C)=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1	799873574	TVLIKJXAXDUAEC-SNPRPXQTSA-N	313.442	1.649	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(=O)c2ccc(F)cc2o1	795586705	FZKKSHLEEUDVEP-UHFFFAOYSA-N	321.308	1.676	50	20	DDGD	
O=CNc1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1	1318766968	VVEIAJVZSBUISE-UHFFFAOYSA-N	317.732	1.983	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2cncc(Br)c2)CO1	1326081955	CVKFGGMTAWOWGS-JGVFFNPUSA-N	300.156	1.712	50	20	DDGD	
N#CCOc1cccc(NC(=O)C(=O)NNc2ccccn2)c1	1320173176	GVAGTPNHCUAPFR-UHFFFAOYSA-N	311.301	1.066	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)NC/C=C/C1CC1	1325358177	BTISRPIPWCLLME-ONEGZZNKSA-N	321.402	1.781	50	20	DDGD	
C[C@@]1(CNC(=O)N2CCCC[C@H]2CN)C[C@@H]1Br	1332550977	MUOKMZLTTJKZLF-NHCYSSNCSA-N	304.232	1.683	50	20	DDGD	
CC(C)CC[C@H]1CCC[C@@H]1NC(=O)NNC(=O)C1CCNCC1	1345140393	FMPCHCXDHDYIQX-HIFRSBDPSA-N	324.469	1.921	50	20	DDGD	
CN[C@@H](C)CCNC(=O)NNC(=O)Cc1c[nH]c2ccccc12	1345141145	JBHGCQAWLQWERY-NSHDSACASA-N	317.393	1.039	50	20	DDGD	
O=C(NNc1cccc2c1CCCC2)c1cnn(CCO)c1	1346699969	HRRZIGIEZTVGBW-UHFFFAOYSA-N	300.362	1.511	50	20	DDGD	
Cc1cccc(C)c1CN(C)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	1340401771	UQNAUNINXYWMCA-KBPBESRZSA-N	319.405	1.901	50	20	DDGD	
COC(=O)N(C)N=Cc1c(Br)cc(C(=O)O)n1C	1345378719	HKAJLXMPXFNHNW-UHFFFAOYSA-N	318.127	1.518	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H]1CCCCN1Cc1cccc(F)c1	1347684470	FDWHYTPSKMFUAF-BBRMVZONSA-N	323.412	1.524	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ncccc2F)c(Cl)n1	1354018317	BJFSESNCNDRAIX-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
CCOc1cc(C(=O)NNc2ccc(C)c(C(=O)OC)c2)[nH]n1	1351715965	GIOYURFDBIOYPO-UHFFFAOYSA-N	318.333	1.660	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NNc2nncc(N)c2Cl)C1	1351284675	SCTIXLDAOWRVFK-SVRRBLITSA-N	321.772	1.245	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2C[C@@H]2F)cc1	1350759034	NFRNCMWBAJSEEZ-WQAKAFBOSA-N	310.325	1.358	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H]1F)c1cc(F)ccc1Br	1519346095	APQAIFSRHGQMHK-CBAPKCEASA-N	319.105	1.707	50	20	DDGD	
Nc1cc([N+](=O)[O-])ccc1C(=O)NNc1cccc(C(=O)O)c1	1601215006	WAFVVNLDVBUSEV-UHFFFAOYSA-N	316.273	1.632	50	20	DDGD	
O=C(NNc1ccccc1F)C(=O)Nc1ccsc1C(=O)O	1601561361	CKHIVBCEYLLBLK-UHFFFAOYSA-N	323.305	1.667	50	20	DDGD	
Cc1ccnc(O)c1C(=O)NNc1ccc(CC(=O)O)cc1	1600600983	WGSBDTRKVVEGTN-UHFFFAOYSA-N	301.302	1.480	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2c[nH]nc2-c2ccncc2)c1	1602448475	OWYBUGGIVMMVMP-UHFFFAOYSA-N	323.312	1.927	50	20	DDGD	
O=C(NNc1ccc(F)cc1)C(=O)Nc1cccc(C(=O)O)c1	1601559648	XLNVNEFILGVWRX-UHFFFAOYSA-N	317.276	1.606	50	20	DDGD	
O=C(COc1ccccc1F)NN=Cc1cc(C(=O)O)co1	1601345125	LOVSNNHULJNCDJ-UHFFFAOYSA-N	306.249	1.646	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ncccc2O)cc1Cl	1602384448	NKVWWCDGWZARSZ-UHFFFAOYSA-N	307.693	1.896	50	20	DDGD	
CC(C)(C)C(=O)C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1609073269	GZKGMVFUKJIYKJ-UHFFFAOYSA-N	322.756	1.578	50	20	DDGD	
Cc1c(NNC(=O)[C@H]2CCn3cncc3C2)cccc1C(=O)O	1607553250	NPZWCBKTWFXXEQ-NSHDSACASA-N	314.345	1.595	50	20	DDGD	
N#C[C@H]1CC[C@@H](NC(=O)NNc2ccc(C(=O)O)c(F)c2)C1	1601079764	QRPKXHOGIJNUSO-DTWKUNHWSA-N	306.297	1.842	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C(=O)NN=C1COC(C)(C)C1	1549318758	YUSUOJHTHXKNKX-QWHCGFSZSA-N	320.393	1.559	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1ccsc1	1549317734	YXMUJYNBFKPIFQ-GXTWGEPZSA-N	307.419	1.842	50	20	DDGD	
O=C(NN=Cc1coc2ccccc12)[C@H]1CN2CCC[C@H]2CO1	1549315926	DAEGHQSSZQJSSO-XJKSGUPXSA-N	313.357	1.746	50	20	DDGD	
CC1(C)[C@@H](N)C[C@H]1C(=O)NNC(=O)Nc1cc(F)cc(F)c1	1576370977	IACPYRHRZDGMST-QWRGUYRKSA-N	312.320	1.491	50	20	DDGD	
C[C@H](NNC(=O)C1CC2(C1)C[C@@H](N)CCS2)C(F)(F)F	1576252249	OYEGWFYTEJMPAW-MKOUOCNOSA-N	311.373	1.561	50	20	DDGD	
C=CCCC[C@@H](N)C(=O)NNc1cccc(S(C)(=O)=O)c1	1574908469	OTIBASFMUVBHEW-CYBMUJFWSA-N	311.407	1.217	50	20	DDGD	
CC(C)(CCNC(=O)NNc1cc(Cl)ccn1)C(=O)O	1588773491	GHCZARHOLOEHQW-UHFFFAOYSA-N	300.746	1.862	50	20	DDGD	
CC(C)(C)[C@@H](NC(=O)NNC(=O)C(=O)O)c1ccc(F)cc1	1589716878	SVGPLHRBRNQULC-JTQLQIEISA-N	311.313	1.328	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](C)S)C2	1845167800	VEAAUFAXZVEOCC-ZJUUUORDSA-N	304.843	1.526	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)cc(C)c1C=NNC(=O)[C@H]1CCCO1	1591838938	HPVMHPZOVJXBGB-CYBMUJFWSA-N	314.349	1.113	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H]2CC2(F)F)C1	1843853924	ZBGIFCXOWYVURD-ZJUUUORDSA-N	320.767	1.862	50	20	DDGD	
C[C@@H](CC(=O)O)C(=O)NNc1nnc(-c2ccccn2)s1	1592360431	YLYUYNZVWXGZPC-ZETCQYMHSA-N	307.335	1.154	50	20	DDGD	
CO[C@@H](C)CCC(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1599038392	OYZJEISVMCYXAF-VIFPVBQESA-N	315.395	1.395	50	20	DDGD	
O=C(O)/C=C/c1ccc(C=NNC(=O)c2ccccc2O)o1	1776017516	GSVBYHXNUICNGL-AQVPEHARSA-N	300.270	1.847	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2ccc(C(=O)O)cc2)CC[C@H]1C(=O)O	1776101077	PKEOJHHWLSHGJK-TVQRCGJNSA-N	318.329	1.991	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccccc2O)ccc1C(=O)O	1776017488	CUMAWTCVTNPTAN-UHFFFAOYSA-N	314.297	1.863	50	20	DDGD	
C[C@H]1C(=NNC(=O)c2cccnn2)CC[C@H](C(=O)O)C1(C)C	1776103344	DRYPTHGAEJKQNH-VHSXEESVSA-N	304.350	1.719	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1CC1)[C@H](F)Cl	1793469394	QMJZUZIKXBYJEZ-OPDFLTKYSA-N	312.772	1.572	50	20	DDGD	
O=C(NNC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccncc1	15273132	ORPXOZYOLIMICF-UHFFFAOYSA-N	324.340	1.505	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)OC(C)(C)C	17398819	SQMAODYFVKDQJA-UHFFFAOYSA-N	311.294	1.773	50	20	DDGD	
C[C@H]1CC(=O)CC[C@H]1C(=O)NNC(=O)c1cccc(N(C)C)c1	158801720	YJMMDCOKYURAIB-XHDPSFHLSA-N	317.389	1.519	50	20	DDGD	
C=CCC(CC=C)C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1	160499060	MNOYFCJYFJDXJZ-OKILXGFUSA-N	323.437	1.402	50	20	DDGD	
CCCN(CC(=O)NNC(=O)c1cccc(C#N)c1)CC1CC1	164619373	FCXRUVYALMJBFA-UHFFFAOYSA-N	314.389	1.441	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1ccc(F)cc1F	152833376	RUBDSVKSSIWTFT-UHFFFAOYSA-N	301.293	1.934	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1nc(Cl)ccc1Cl	156289580	ISZBPIRKOJXJPP-UHFFFAOYSA-N	324.131	1.812	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(NC(C)=O)ccc2F)nc1	159553663	GRZDUXYFXITOKI-UHFFFAOYSA-N	318.308	1.945	50	20	DDGD	
COCCN1CCN(C[C@@H](CBr)C2CC2)CC1=O	859220792	DUIDOTUVOYCDBZ-GFCCVEGCSA-N	319.243	1.198	50	20	DDGD	
C[C@@]1(NS(=O)(=O)CCl)CCN(Cc2ccccc2)C1	406025224	GSQKHXWNEUXQGH-CYBMUJFWSA-N	302.827	1.767	50	20	DDGD	
Cc1cc(CC(=O)N(C)NC(=O)OCc2ccccc2)no1	862287148	HTNXSNVAABVGJO-UHFFFAOYSA-N	303.318	1.825	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)Cc1ccccc1	580744	JEXNTZHJRGOGHR-UHFFFAOYSA-N	314.341	1.464	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC[C@H]1CCOC1)c1ccccc1	111477692	QKUMTUBUXKFCHX-TZMCWYRMSA-N	305.378	1.547	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cccc(C(F)(F)F)c1	105966987	FPUJYHFMKYRSQX-UHFFFAOYSA-N	316.279	1.893	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NNc2nc(C)cc(C)n2)cc1	179693425	RHVBDQSODYCELE-UHFFFAOYSA-N	314.349	1.602	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2ccc(C#N)cn2)c1	107784276	AMLSKUHKRAHJAW-UHFFFAOYSA-N	311.370	1.893	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2nc(C(C)C)no2)cc1	107418368	BXJAZBCTWJZPAA-UHFFFAOYSA-N	318.333	1.341	50	20	DDGD	
O=C(COCC(F)(F)F)NNc1nc(-c2ccccc2)no1	102790339	OCNCGGMSUICIFF-UHFFFAOYSA-N	316.239	1.759	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2CCc3ccc(F)cc32)n1	106577464	LXGFZTZNMBBBEB-GFCCVEGCSA-N	317.324	1.938	50	20	DDGD	
NC(=O)COc1cccc(C(=O)NNc2c(F)cccc2F)c1	118510919	IAKUUIJQNMSDHH-UHFFFAOYSA-N	321.283	1.586	50	20	DDGD	
O=C(CC1=CCCCC1)NNC(=O)Cc1cn2ccccc2n1	173877304	LFKZNOJUTNFXPV-UHFFFAOYSA-N	312.373	1.915	50	20	DDGD	
CC[C@@H]1CN(C(=O)NNC(=O)c2cccc(C#N)c2)C[C@H](C)O1	111491333	NMWDELRVSRRBPI-SMDDNHRTSA-N	316.361	1.412	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c1	302851901	BCLYUVVEABDTFK-YDHLFZDLSA-N	302.374	1.957	50	20	DDGD	
COCCC1(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1	120028064	DEFZFEVIYZRCAF-UHFFFAOYSA-N	307.306	1.173	50	20	DDGD	
CCc1cc(C(=O)NNc2ccccc2[N+](=O)[O-])cc(=O)[nH]1	181133349	DHTPNXISSKLXNA-UHFFFAOYSA-N	302.290	1.602	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H](C)c2nc(C)cs2)nn1	183958169	QOVLOOVIBXDWCQ-QMMMGPOBSA-N	306.395	1.980	50	20	DDGD	
Cc1ccc(Cl)cc1S(=O)(=O)NNC(=O)c1ccc[nH]1	120417893	WKFDMBVSWZEIQK-UHFFFAOYSA-N	313.766	1.600	50	20	DDGD	
COC1(C(=O)NNC(=O)COc2ccc(C)cc2)CCCCC1	184887811	VFHHKWWJUNPFIU-UHFFFAOYSA-N	320.389	1.871	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(C(C)C)on2)nc1	127077153	BTWSRQQYZGOWRX-UHFFFAOYSA-N	304.306	1.737	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2ccc(C#N)c(O)c2)c1	188213500	UNFNCHSZYWNRAF-UHFFFAOYSA-N	324.340	1.405	50	20	DDGD	
CSCCCNC(=O)NNC(=O)Cn1ccc2ccccc21	77669704	RSFSNIPYJXJERI-UHFFFAOYSA-N	320.418	1.725	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNc2nnc(C3CC3)s2)c1	184527502	HUWYPBHKGHWZQB-UHFFFAOYSA-N	318.358	1.959	50	20	DDGD	
COc1ccc(NNC(=O)c2cc3c(s2)CCOC3)nc1	187473583	KKEDWMGIHHPHLD-UHFFFAOYSA-N	305.359	1.981	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cccc(CC#N)c1	180301299	NLLKULKHXGPVQN-UHFFFAOYSA-N	308.432	1.225	50	20	DDGD	
C[C@@H]1C[C@@H](C)CN(CCCNC(=O)NNc2ncccn2)C1	46426870	CGDUTQSEBXRCLT-CHWSQXEVSA-N	306.414	1.471	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NC(C2CC2)C2CC2)c1	45613480	GOSGHOIMAKDSCK-UHFFFAOYSA-N	317.389	1.893	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H](C)c2ccc(C#N)cc2)n1	47052369	OXGFCZBZJAWGLA-SNVBAGLBSA-N	312.333	1.744	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(N(C)C)cc2)c(O)c1	80387631	XPTSPWDZZDJVCX-UHFFFAOYSA-N	313.357	1.841	50	20	DDGD	
Cn1ccc2cccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)c21	190582625	BZYCXXRTPXEZFA-UHFFFAOYSA-N	316.361	1.310	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@H]2Cc3cc(F)ccc3O2)n1	133994367	IQABQHSBRJUQRN-SECBINFHSA-N	323.715	1.298	50	20	DDGD	
O=C(CCc1cc(F)ccc1F)NNC(=O)c1ccncc1	194360477	VXEDGNPDCYMENM-UHFFFAOYSA-N	305.284	1.754	50	20	DDGD	
CC[C@H]1CCC[C@H](NC(=O)NNC(=O)Cc2ccncc2)C1	83233010	LUYQCVYCSWSSAB-JSGCOSHPSA-N	304.394	1.923	50	20	DDGD	
Cn1ccc(NC(=O)C(=O)NNc2ccc(Cl)c(F)c2)n1	131087863	OPRRGHCNUURPFV-UHFFFAOYSA-N	311.704	1.294	50	20	DDGD	
O=C(Cc1ccc(OC(F)F)cc1)NNC(=O)c1ccncc1	194743219	ZTNUDPILOHETJP-UHFFFAOYSA-N	321.283	1.687	50	20	DDGD	
COc1cccc(CO[C@H](C)C(=O)NNC(=O)c2ccc[nH]2)c1	97298330	WLVCOCXQROSGQU-LLVKDONJSA-N	317.345	1.390	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1	255070883	LCYOOXDMPIDGPS-TWGQIWQCSA-N	314.301	1.408	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NC[C@H]1CCOC1)c1ccccc1	264656792	JFUIMAQKHLXTHB-GFCCVEGCSA-N	305.378	1.331	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CCSc2nnc(C)[nH]2)n1	266878757	ZQTGLLLFENEJPN-UHFFFAOYSA-N	307.383	1.145	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)nnn1C	265940887	IQJKPFPFRKOLJB-UHFFFAOYSA-N	317.393	1.101	50	20	DDGD	
CC(C)CC(C)(C)C(=O)NNc1nc(O)c2cnn(C)c2n1	269322921	SYOXYQFNEPTAQZ-UHFFFAOYSA-N	306.370	1.584	50	20	DDGD	
Cc1c(Br)cccc1C(=O)NNC(=O)NC1CC1	266299365	SLPAJGVNJMBAFW-UHFFFAOYSA-N	312.167	1.864	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1ccccc1[N+](=O)[O-]	264292730	QCBBMPGGADCMBU-UHFFFAOYSA-N	310.310	1.516	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@H]1CCO[C@@]2(CCOC2)C1	364213127	GUPFQSFDDFSQDV-RYUDHWBXSA-N	311.831	1.263	50	20	DDGD	
Cc1noc(CCCNC(=O)NNc2ccc(Cl)nc2)n1	266731248	AHLGJWUNPNOJMK-UHFFFAOYSA-N	310.745	1.685	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C[C@H]2CCO[C@H](C(C)C)C2)n1	279754357	DECCTIJRZZIDJA-ZFWWWQNUSA-N	319.405	1.992	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)o1	271599247	YEIXVDFLMQVMHK-DGCLKSJQSA-N	309.366	1.736	50	20	DDGD	
COC(=O)NNC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1	276884221	LVFBYPYWRLFVNB-LLVKDONJSA-N	305.334	1.044	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C[C@@](C)(O)C2CC2)c1	270165148	ZXRXDVIOBZHFMY-QGZVFWFLSA-N	320.389	1.381	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H]1C[C@]12CCOC2	364085437	HLBWVEHAEHTLET-BONVTDFDSA-N	321.402	1.439	50	20	DDGD	
CC[C@@H](C)Oc1cc(C(=O)NNC(=O)NCCCOC)ccn1	271929312	HJDHTTZDXYBANQ-LLVKDONJSA-N	324.381	1.239	50	20	DDGD	
C=C(C)[C@@H](CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)OCC	270146886	UKXBUNXZFRFDRD-CYBMUJFWSA-N	321.333	1.727	50	20	DDGD	
C[C@@H](CN(C)C)NC(=O)NNC(=O)c1ccc(Cl)cc1F	287924240	DAMHGZAAQKWNFA-QMMMGPOBSA-N	316.764	1.373	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2C[C@]23CCOC3)c([N+](=O)[O-])c1	372052781	HOFRKQPPDUCMKB-HZMBPMFUSA-N	307.306	1.473	50	20	DDGD	
O=C(Cn1nnc(-c2ccccc2)n1)NCC(Cl)Cl	289190176	WPICOLOASIMRIY-UHFFFAOYSA-N	300.149	1.260	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NOCCCOC)c1ccccc1	288147060	YXVWGQZATLQLRF-CYBMUJFWSA-N	309.366	1.479	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@H](O)C(C)C)cc1	285221609	SJFCJLOQHGYGIG-SMDDNHRTSA-N	324.377	1.017	50	20	DDGD	
COC(=O)N(C)NC(=O)c1nc(N2CCCC2)ncc1Cl	804124820	AHZBNPOTSIAQIQ-UHFFFAOYSA-N	313.745	1.073	50	20	DDGD	
CCOc1ccc(C(=O)NN=Cc2cnccn2)cc1OC	807957234	ZEWXNOAHODOMCQ-UHFFFAOYSA-N	300.318	1.648	50	20	DDGD	
Cn1c(=O)n(CC(=O)NNc2ncccc2F)c2ccccc21	804218698	BPXOCHBBIKJPRH-UHFFFAOYSA-N	315.308	1.017	50	20	DDGD	
COCc1cnc(NC(=O)NNc2nc3ccccn3n2)s1	806609827	HCTOFPPNYGDEMD-UHFFFAOYSA-N	319.350	1.481	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)C[C@@H]2C)cc1	802061996	BNBPOMFGMUNHNS-IINYFYTJSA-N	319.361	1.853	50	20	DDGD	
C[C@@H](Sc1nncn1C)C(=O)NNC(=O)Nc1ccccc1	801993328	QTCILMXMDNNEOM-SECBINFHSA-N	320.378	1.149	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(F)ccc1Cl	295367778	JTSPFVLSHNYMTF-LLVKDONJSA-N	300.717	1.809	50	20	DDGD	
Cc1[nH]c(C=NNC(=O)c2ccc(Cl)nc2)cc1C(=O)O	800810331	LPICKCOGZGMRAE-UHFFFAOYSA-N	306.709	1.834	50	20	DDGD	
COCc1cccc(CC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	294064012	BFJSSEWHGYJFRI-FZMZJTMJSA-N	306.362	1.090	50	20	DDGD	
CC(C)(C)c1ncsc1C(=O)NNC(=O)N=c1cc[nH]cc1	802032007	PJYAGDGEGMJHCB-UHFFFAOYSA-N	319.390	1.724	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)Cn2cc(Cl)cn2)c1	806272606	ICNWSEHNGBXOOT-UHFFFAOYSA-N	321.768	1.064	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cncc(C(F)(F)F)c1	808039092	YAFFLKFEKOLLSL-UHFFFAOYSA-N	312.251	1.514	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)CC(=O)NC)c1C	298286556	BLGBMLZMXIDVQJ-OQLLNIDSSA-N	316.405	1.626	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@H](C)NC(=O)OC)cc1C	291209196	MQARZFSEMNGRLX-JTQLQIEISA-N	323.349	1.359	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)c1cc2c(s1)CCC2	800315645	ZMKGMANFBWQAKX-IGJMFERPSA-N	308.403	1.811	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=C1CCOc2c(F)ccc(F)c21	814957645	LRNWDIIBAZNNTC-UHFFFAOYSA-N	306.272	1.533	50	20	DDGD	
N#Cc1ccc(N2CCC[C@H]2C(=O)NNC(=O)CC2CC2)cc1	819144157	CAUOVAHRJVXPRL-HNNXBMFYSA-N	312.373	1.475	50	20	DDGD	
CCC/C=C/C(=O)NNc1ccccc1S(=O)(=O)N(C)C	817054219	YYECNTGEWNJHOJ-IZZDOVSWSA-N	311.407	1.736	50	20	DDGD	
CC(C)n1ncc2cc(C(=O)NNC(=O)c3ccc[nH]3)cnc21	810546573	WYYBHMPAJLFEQA-UHFFFAOYSA-N	312.333	1.415	50	20	DDGD	
O=C(NNC(=O)c1c[nH]nc1-c1ccccn1)Nc1ccccc1	813573640	MBGRTQMKCFJAMD-UHFFFAOYSA-N	322.328	1.938	50	20	DDGD	
CS(=O)(=O)c1ccc(NNC(=O)[C@H]2CCCSC2)cc1	810680841	DGVCGBVMBXTZMO-JTQLQIEISA-N	314.432	1.676	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)NOC/C=C/Cl	812709459	WLCIIHTWTGGVJB-GORDUTHDSA-N	314.685	1.223	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)c2ccncc2)ccnc1Cl	810297207	KMWDZAUCPVMYRJ-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
Cc1nn(C)c(C)c1CC(=O)NNc1nc2ccccc2n1C	816578404	AECLGFNZNVQSAN-UHFFFAOYSA-N	312.377	1.609	50	20	DDGD	
O=C(CCc1ncccn1)NNC(=O)Nc1cc(F)cc(F)c1	813573431	ICPSSVGVYRAQPM-UHFFFAOYSA-N	321.287	1.540	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1	813424391	MWAACVOOWJJDOF-LBPRGKRZSA-N	319.365	1.033	50	20	DDGD	
CC(=NNC(=O)c1ccccc1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	811629021	RESLOZIWJHAHCF-UHFFFAOYSA-N	322.324	1.370	50	20	DDGD	
O=C(CN1CC[C@@H](C2CCCC2)C1)NNC(=O)c1ccccc1	817282158	BYFWUKNLYHQSFF-MRXNPFEDSA-N	315.417	1.960	50	20	DDGD	
Cc1cnn([C@@H]2CCN([C@@H](C)C(=O)NNC(=O)CC(C)C)C2)c1	810120998	IJXWTMZMNUKJQI-UONOGXRCSA-N	321.425	1.020	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=C1CC[C@@H]1C1CCC1	814783615	OYJYVCFEUJMVRT-SNVBAGLBSA-N	306.391	1.696	50	20	DDGD	
CC(C)OCCCNC(=O)NNC(=O)c1cccc(C#N)c1	728941899	FNBDDHYPXIGVPL-UHFFFAOYSA-N	304.350	1.317	50	20	DDGD	
CC[C@@H](Nc1ccccc1)C(=O)NNC(=O)Cc1cccnc1	729863531	ZUGXEPOAAJLGIP-OAHLLOKOSA-N	312.373	1.662	50	20	DDGD	
CO[C@H]1CCC[C@H](C(=O)NNC(=O)CCOc2ccccc2)C1	814407455	GJWXBTIRVBNJCR-ZFWWWQNUSA-N	320.389	1.808	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)COc2ccc(C#N)cc2)CC1(F)F	817514273	YXKZNAACPXJNIY-CYBMUJFWSA-N	309.272	1.130	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NC[C@@H]1CNCCCO1	817994123	VTWRPYKJECNEGG-VHSXEESVSA-N	307.232	1.291	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1	823951048	HKLASRRYLFCPSO-CJNGLKHVSA-N	323.412	1.524	50	20	DDGD	
COc1cc(C(=O)NN(C)[C@H](C)CO)sc1Br	823940549	ZBIOYAMYASRZJV-ZCFIWIBFSA-N	323.212	1.477	50	20	DDGD	
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(OC)cn1	496786179	PMEWDTQAHGSJBG-LLVKDONJSA-N	324.381	1.837	50	20	DDGD	
C[C@@H](OCCc1ccccc1)C(=O)NNC(=O)c1ccc[nH]1	822230154	WSDSNUMPVUZIQO-GFCCVEGCSA-N	301.346	1.424	50	20	DDGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2ccn(C)n2)cc1	490810509	AIXKNTUFKJGSGR-FMIVXFBMSA-N	309.329	1.924	50	20	DDGD	
C[C@@H]1CC[C@@H](C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)C1	495352413	LZLGVXYSTTZPHK-GHMZBOCLSA-N	313.398	1.485	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)NC2CCCC2)c2c1CCCC2	825477338	XJFCZJWRBORFIN-UHFFFAOYSA-N	305.382	1.186	50	20	DDGD	
CS(=O)(=O)c1ccc(NNC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)cc1	827176715	ZWJDIJXHXHRSLN-SUNKGSAMSA-N	308.403	1.969	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccc(N2CCCC2)nc1	727164724	SOGRURHRGUAUMI-UHFFFAOYSA-N	316.283	1.395	50	20	DDGD	
Cc1noc(CNC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)n1	490636442	BFORVHNKLOIRCD-UUILKARUSA-N	310.317	1.120	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C[C@@H]1CC[C@H]2C[C@H]12	824044079	JRYNZLQOAOVHPW-AVGNSLFASA-N	317.389	1.691	50	20	DDGD	
Cc1ccc(CC(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1	826287019	ZBOBYWVFPJFYRR-UHFFFAOYSA-N	308.345	1.861	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc(-c2cn(C)nn2)c1	825697836	KMGQJTHRIJVREX-JTQLQIEISA-N	316.365	1.681	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2cccc(Br)n2)CO1	828439038	CGSNZLJEYFOJQB-HTQZYQBOSA-N	315.171	1.648	50	20	DDGD	
CCS[C@@H]1CC[C@@H](N(C)CC(=O)NNC(=O)C(C)C)C1	827937803	CPXIWNVGNOLJMR-VXGBXAGGSA-N	301.456	1.396	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)O)c(Br)c1	738034265	KVTLRTACJODJRW-UHFFFAOYSA-N	304.100	1.762	50	20	DDGD	
CC(C)CC[C@@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1	584963506	ZRGOMRZYIWDUKK-ZDUSSCGKSA-N	321.201	1.794	50	20	DDGD	
O=C(C[C@@H]1CCCO1)NNC(=O)c1cnn(-c2ccccc2)c1	733106817	LWARYJCDLPARIN-AWEZNQCLSA-N	314.345	1.202	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c(C)c1	826187340	LWWTZSHTKJHLRB-UHFFFAOYSA-N	324.344	1.941	50	20	DDGD	
CC(C[C@H](C)NC(=O)OC(C)(C)C)=NNC(=O)CN(C)C	494552725	ALYBHGNJIIXWJE-JTQLQIEISA-N	300.403	1.343	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccc(CCCOC(C)=O)c1	496126188	UHKXTBFDAKZEDF-UHFFFAOYSA-N	323.349	1.965	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)c1ccnc(C2CCCC2)n1	584913604	ZPZLKKPJJIAJLT-UHFFFAOYSA-N	311.150	1.066	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1cccc(C)c1Cl	901966612	PNXJGAVSCYRJNC-UHFFFAOYSA-N	314.794	1.761	50	20	DDGD	
O=C(NNC(=S)Nc1ccc2c(c1)OCO2)NC1CCCC1	735238105	KERFBVSCFBWJEM-UHFFFAOYSA-N	322.390	1.859	50	20	DDGD	
CCN1CCC(=NNC(=O)CNC(=O)OC(C)(C)C)[C@@H](C)C1	494538479	HPYPTVFHEDNHMD-NSHDSACASA-N	312.414	1.345	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C1CCCOCC1	495995258	UNFJDGQASNAPBQ-ZDUSSCGKSA-N	323.393	1.576	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C	735762970	UADQDJWFEVBZIQ-WCQYABFASA-N	315.414	1.195	50	20	DDGD	
C=C(C)CCNC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	838661346	UXBRYJFDUOERCV-LLVKDONJSA-N	309.341	1.890	50	20	DDGD	
CCn1ccnc1C(C)=NNC(=O)c1cncc(NC(C)=O)c1	834965253	MHMZACQQBRAKEK-UHFFFAOYSA-N	314.349	1.410	50	20	DDGD	
COc1ccc(OCCCOc2ccc(B(O)O)cc2)cc1	584909911	SJZSLQUYKSXAKO-UHFFFAOYSA-N	302.135	1.223	50	20	DDGD	
Cn1cc(C(=O)NN[C@@H](C(=O)O)c2cccc(Cl)c2)cn1	739023600	VSNBAYYODAABJQ-LLVKDONJSA-N	308.725	1.134	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(N)=C(C#N)C#N)c(OCC(=O)O)c1	734483206	JOCCWPPOPUYJNM-NYYWCZLTSA-N	324.296	1.326	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2cccc(C(=O)O)c2)CN1C1CC1	833600550	LSIJQMHLDWDULM-MFKMUULPSA-N	318.377	1.636	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNc1cnnc2ccccc12	733810483	LYMBWWTTXNOQEV-UHFFFAOYSA-N	301.350	1.235	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2cccc(-c3nn[nH]n3)c2)nc1	737360882	CYKDQBUDNXUJTL-UHFFFAOYSA-N	324.348	1.396	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)c1cccc(NC(=O)O)c1	738892565	KBDJRDWFLXXJBU-UHFFFAOYSA-N	320.330	1.616	50	20	DDGD	
CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1sccc1C	733747133	KHYITBXWCYXYLJ-SNVBAGLBSA-N	315.420	1.267	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@@H](C)CCCc1cccnc1	839143326	OXXCTOSFBOSKHQ-ZDUSSCGKSA-N	306.410	1.186	50	20	DDGD	
C[C@@H]([C@@H]1Cc2ccccc21)N(C)C(=O)c1cccc(B(O)O)c1	585008659	LHHDRTRANXXIBV-SJCJKPOMSA-N	309.174	1.167	50	20	DDGD	
CO[C@@](C)(CNC(=O)NNc1ccc(C)nn1)c1ccccc1	836589377	GQYOYHIFYPVJAK-INIZCTEOSA-N	315.377	1.973	50	20	DDGD	
COC[C@]1(CO)CCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C1	832401511	ZUSAUTNEIBXGQU-KNDGBBJPSA-N	317.345	1.790	50	20	DDGD	
O=C(NNc1cccc(F)c1F)N[C@@H]1CCCN(C(=O)O)C1	831742486	HTYSFCGXTIETIV-MRVPVSSYSA-N	314.292	1.733	50	20	DDGD	
COc1cccc2c1CN(C(=O)/C(C#N)=C/c1cnn(C)c1)CC2	836926862	YGUQDWDFPLJLFV-OVCLIPMQSA-N	322.368	1.921	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2cnc(C(=O)O)cn2)c1	833730037	ZGTRMYJCXVZNTQ-UHFFFAOYSA-N	306.253	1.079	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)Cc1ccccc1F)c1cnn(C)c1	839677334	QMSCVKACOWSZFH-NSHDSACASA-N	318.352	1.443	50	20	DDGD	
CCC[C@@H](C=NNC(=O)c1nn(C)c(=O)c2ccccc12)OC	834926478	OAAPOTRTHXHFDL-NSHDSACASA-N	316.361	1.464	50	20	DDGD	
CCCOc1ccc(C(=O)NN[C@H](C(=O)O)C2CC2)cc1OC	833652730	YMAVGAQHXOLTHQ-AWEZNQCLSA-N	322.361	1.582	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@]12CCCc1ccccc12)c1ncon1	832825882	KIJXXTHARSZQEF-BLLLJJGKSA-N	312.329	1.125	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCN1CCOC[C@H]1CC(N)=O	832751145	NJTNQZROXJYRAQ-GFCCVEGCSA-N	302.491	1.584	50	20	DDGD	
CCC(C)(C)OCC(=O)NNC(=O)Cc1ccccc1OC	837659012	RMWRWDWKSHUFLJ-UHFFFAOYSA-N	308.378	1.590	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H](C)CCc2ccccc2F)nc1O	743294959	CJQTUKDHGKDQLM-SECBINFHSA-N	319.340	1.737	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H](O)c1ccccc1C(F)(F)F	910183097	KZQOZNYXJAARQG-GZMMTYOYSA-N	306.284	1.083	50	20	DDGD	
CC(=O)Nc1cccc(C(C)=NNC(=O)C(=O)N2CCCC2)c1	748137388	CTBBFKAGMYRDFB-UHFFFAOYSA-N	316.361	1.108	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C[C@@H](C)n2ccnc2)ccc1F	846248396	FAUXHSDAEDADQR-SNVBAGLBSA-N	320.324	1.903	50	20	DDGD	
COC(=O)C12CC(C(=O)NNc3nc4ccccc4[nH]3)(C1)C2	844136604	GXLYMTKZGGRFPP-UHFFFAOYSA-N	300.318	1.349	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)CCOCC(C)C)cc1	915292390	JMZWXOWCIDIQOV-UHFFFAOYSA-N	323.393	1.317	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C1CCN([C@@H]2CCSC2)CC1	847696476	JQKLGBAIRQCWKL-CYBMUJFWSA-N	324.425	1.881	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1cccc(C#N)c1	915953208	RTOCWNVLSXQTSX-CYBMUJFWSA-N	314.389	1.367	50	20	DDGD	
Cc1nccn1CC(=O)NNc1ncnc(Cl)c1C(C)C	840544856	KMFNUXIIYMESHU-UHFFFAOYSA-N	308.773	1.902	50	20	DDGD	
CCN1CC[C@@H](OC(=O)/C(C#N)=C\c2cccc(OC)c2)C1=O	849657930	JIEQUHRYFQOOGO-UZGISAJGSA-N	314.341	1.766	50	20	DDGD	
O=C(C[C@@H]1CCOC1)NNC(=O)NCc1ccc(Cl)cc1	740178057	ZRXNUVDQYTVCMJ-NSHDSACASA-N	311.769	1.597	50	20	DDGD	
Cc1noc(C(F)F)c1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843655454	VFXYEFVPFSCZIO-RQJHMYQMSA-N	303.265	1.107	50	20	DDGD	
O=C(/C=C\c1ccc(Cl)cc1)NNC(=O)CN1CCCC1=O	913730298	PRGVRFXQMLEXIY-YVMONPNESA-N	321.764	1.123	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H](C)Oc2ccc(F)cc2)nn1C	841610843	MCCZRNVZLIEJAD-LLVKDONJSA-N	304.325	1.785	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2nccc3sccc23)o1	747592005	HYOVIVCWKWRIBU-UHFFFAOYSA-N	302.315	1.745	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cnccc1C(F)(F)F	847065335	XSSDDGJAWFHECN-SNVBAGLBSA-N	317.267	1.431	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=C1CCCn2ccnc21	848406129	JDMCNJNUKXMYPM-UHFFFAOYSA-N	308.345	1.388	50	20	DDGD	
O=C(CN1CCCNC1=O)NNc1cccc2c1CCCC2	748578076	XOVDJRSJCOYZQG-UHFFFAOYSA-N	302.378	1.424	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc2ccncc2s1	843662113	RIAFBNARHQBGSD-PSASIEDQSA-N	305.359	1.482	50	20	DDGD	
C=CCNC(=S)NNC(=O)C[C@@](O)(CC)c1ccccc1	840237221	HWURVCFRUBOAFL-HNNXBMFYSA-N	307.419	1.356	50	20	DDGD	
CCCN1C(=O)C(=NNC(=O)[C@H]2CCO[C@@H]2C)c2ccccc21	842554306	HQCRQQJBDDNXMG-NEPJUHHUSA-N	315.373	1.689	50	20	DDGD	
C[C@@H]1NC(=O)[C@H](C)N(C(=O)[C@H](Br)C(C)(C)C)[C@@H]1C	911793955	GKZVAMRZCSVRGM-JXUBOQSCSA-N	319.243	1.920	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21	910476317	JUDCIKFKESZEIN-BKDNQFJXSA-N	308.769	1.922	50	20	DDGD	
N#C/C(=C/c1cn(CC(N)=O)nn1)c1nc(C2CC2)cs1	843271772	FQNRXPCCZQYKOD-OQFOIZHKSA-N	300.347	1.161	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1C1CC1	843656061	LVOYOMYDUYRIRZ-GWCFXTLKSA-N	318.373	1.759	50	20	DDGD	
O=C(NNc1cccc2c1CCCC2)c1ccc2nn[nH]c2n1	841409242	RMKUQNNFOBLUMZ-UHFFFAOYSA-N	308.345	1.989	50	20	DDGD	
C[C@@H](CN)NC(=O)NNc1ccc(Br)c(F)c1	841981661	CQMUAEGTWCLISR-LURJTMIESA-N	305.151	1.562	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)[C@H]1CC[C@@H](C(=O)O)C1	846711042	WSYGVJQKQLGBFP-DTWKUNHWSA-N	317.305	1.076	50	20	DDGD	
O=C(NN=Cc1cccc(O)c1O)Nc1ccc(C(=O)O)cc1	743443487	GZNCGBTXINVPJH-UHFFFAOYSA-N	315.285	1.952	50	20	DDGD	
C[C@@H]1c2ccccc2CCN1CC(=O)NNC(=O)C(C)(C)C	744398442	SIYAZSNWHUVODC-GFCCVEGCSA-N	303.406	1.799	50	20	DDGD	
CC1(C)C(=NNC(=O)CNC(=O)c2ccco2)[C@@H]2CCCO[C@H]21	743438691	OSONIUJCGODBSF-IINYFYTJSA-N	319.361	1.317	50	20	DDGD	
C[C@H](Oc1cccc(F)c1)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843646451	VTLAQPIWHDNXJD-OUJBWJOFSA-N	310.325	1.165	50	20	DDGD	
CC(C)(CNC(=O)NNc1ccccc1Cl)S(C)(=O)=O	748966028	JFQMUUVGZGDJKN-UHFFFAOYSA-N	319.814	1.789	50	20	DDGD	
CC(C)C[C@@H](C)n1nccc1NC(=O)NNC(=O)CCCN	841187514	XAXXDBALQYJQPE-LLVKDONJSA-N	310.402	1.382	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(C)C)c(Br)n1	755409461	HYCORKFYTDDQSK-UHFFFAOYSA-N	300.156	1.570	50	20	DDGD	
Cc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	843648437	QNLBCVIQKAATFA-SCRDCRAPSA-N	306.362	1.335	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1cnccc1C(F)(F)F	852719102	FSRCWRFTMPBWJO-UHFFFAOYSA-N	318.299	1.977	50	20	DDGD	
C[C@H]1CN(C2CC2)CC1=NNC(=O)Cc1cn2ccccc2n1	755891502	HPOFIQKXAOXLKR-LBPRGKRZSA-N	311.389	1.463	50	20	DDGD	
CC(C)n1ccnc1C=NNC(=O)CCCNC(=O)C(C)(C)C	853406836	UXKOXZPJLGYDND-UHFFFAOYSA-N	321.425	1.857	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H]([C@@H]2CCCCO2)C1	852594296	BDNSBYJXDJMDGO-IHRRRGAJSA-N	311.426	1.213	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)CN1CCc2ccccc21)C1CC1	855101894	CXHLPNYVORTFKG-LLVKDONJSA-N	318.446	1.343	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)COc1ccccc1F)C1CC1	858130033	VMUIDNSALWLQAO-CQSZACIVSA-N	310.325	1.167	50	20	DDGD	
O=C(NN=Cc1ccc(OC[C@H]2CCCO2)cc1)c1cc[nH]n1	853392207	FRQBBCWAHVABIX-CQSZACIVSA-N	314.345	1.731	50	20	DDGD	
O=C(C[C@@H]1CCCO1)NNC(=S)NCCc1cccs1	753076922	HQIWSZLYHYPCCP-JTQLQIEISA-N	313.448	1.355	50	20	DDGD	
C[C@](O)(CCc1ccccc1)C(=O)NNC(=O)CC(F)(F)F	855001081	UDMLOEUFMLVACS-ZDUSSCGKSA-N	318.295	1.470	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H]2C(=O)N(CCSSC)C(=O)N2C1	925339004	OMTNVLKFTGKVDT-DTWKUNHWSA-N	318.420	1.213	50	20	DDGD	
C[C@H]1CC(=NNC(=O)CCCNC(=O)C(C)(C)C)c2nccn21	853408759	WFGBSYWOMBUARL-NSHDSACASA-N	319.409	1.611	50	20	DDGD	
CCN1CCC[C@@H](NC(=O)NNc2ccc(Cl)nc2)C1=O	925971435	YWMCNAGUEZFQEX-SNVBAGLBSA-N	311.773	1.372	50	20	DDGD	
Cc1nnccc1C(=O)NNC(=O)Cc1ccc(Cl)cc1	752993828	KOJARXNSDXUUIM-UHFFFAOYSA-N	304.737	1.442	50	20	DDGD	
CCOC(=O)CCCNC(=O)NC[C@]1(C)C[C@H]1Br	856822147	YFQVIUNABQJCPD-SKDRFNHKSA-N	321.215	1.802	50	20	DDGD	
CC(C)c1ccc(NNC(=O)CC[C@@H]2NC(=O)NC2=O)cc1	854883208	WJNZRMJUWAORJJ-LBPRGKRZSA-N	304.350	1.241	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCC(O)CC2)cc1)c1ccccn1	853254957	NKYAVLPAKFBHNQ-UHFFFAOYSA-N	324.384	1.807	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1cncc(C)c1	853389378	GVFIVLQZCWFXLS-CABCVRRESA-N	302.378	1.093	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1nc[nH]c1C(F)(F)F)C1CC1	855094859	GGUGUASBTKXPGZ-RXMQYKEDSA-N	321.328	1.336	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1cccc(F)c1	853387097	JSTYQDIHXCUGGW-CABCVRRESA-N	305.353	1.529	50	20	DDGD	
CCC[C@@H]1CNCCN1C(=O)NC[C@]1(C)C[C@H]1Br	857105991	WLRRBRXFRPGKKY-WZRBSPASSA-N	318.259	1.943	50	20	DDGD	
CC[C@H](CN1CCCC1)NC(=O)NNc1nc(C)cc(OC)n1	758847707	PIOUGWJKCZNCFU-GFCCVEGCSA-N	322.413	1.294	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@]2(C)C[C@@H]2Br)CCCNC1	857104132	QTLVAEWLDQINLH-DRZSPHRISA-N	318.259	1.849	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(OC)cc2C)nc1	759739952	USUUPYZGYXELFZ-UHFFFAOYSA-N	315.329	1.942	50	20	DDGD	
COC[C@@](C)(O)C(=O)NNc1nc2ccc(Cl)cc2s1	856234197	PHEFYTFIINXLOJ-GFCCVEGCSA-N	315.782	1.790	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	754672571	CTFQHHAJOKHQHJ-QNSHHTMESA-N	321.299	1.227	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCSC[C@@H](C)C2)c1	753836634	ANSPFAZKBUZKEI-ZDUSSCGKSA-N	321.446	1.441	50	20	DDGD	
Cc1ncc(NC(=O)NNC(=O)c2ccc(O)c(Cl)c2)cn1	756368797	AGGARIBJNBRAFC-UHFFFAOYSA-N	321.724	1.611	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H]2CCN2C(C)(C)C)c1O	862993996	RPPZYCSQPYBEBA-NSHDSACASA-N	321.377	1.035	50	20	DDGD	
C[C@@H](C(=O)NNc1ncccn1)n1ccc(C(F)(F)F)n1	864768575	IPQWRGJPRKCQKG-ZETCQYMHSA-N	300.244	1.396	50	20	DDGD	
CC[C@H](CC1CCCCC1)C(=O)NNC(=O)[C@H]1CCC(=O)N1	862455837	RNJZELJZWXEIKY-CHWSQXEVSA-N	309.410	1.409	50	20	DDGD	
C[C@@H](NNC(=O)[C@@H]1CC(c2cccnc2)=NO1)C(F)(F)F	862316513	CXYNFLCFNDVYDN-XCBNKYQSSA-N	302.256	1.146	50	20	DDGD	
Cn1ccnc(NNC(=O)c2scnc2C2CCCC2)c1=O	760354719	VQFZDKMJMBGTEA-UHFFFAOYSA-N	319.390	1.651	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1	762390771	KLAFRRZVCLEBAL-IRVMHKCDSA-N	311.341	1.902	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](C(=O)NNC(=O)Cc2ccccc2F)CCO1	932375974	CCNLWUUKFWDUAA-ZFWWWQNUSA-N	322.380	1.967	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1ncc(F)cc1F	863099958	NOUHNFHPLPBFBM-UHFFFAOYSA-N	305.153	1.792	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CSC2=N[C@H](C)CS2)c1	766296982	HQAJSCDMDJXAJA-SNVBAGLBSA-N	323.443	1.981	50	20	DDGD	
O=C(NC[C@@H]1COCCN1)NNc1cccc(Cl)c1Cl	861686989	IARIGYDDDCWWTN-MRVPVSSYSA-N	319.192	1.608	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cccc2c1OCC2	861379073	CAMBSPCJGBKJRG-MWLCHTKSSA-N	305.334	1.199	50	20	DDGD	
Nc1ccc2c(c1)C(=NNC(=O)[C@H]1CCC(=O)N1)CCCC2	863150858	DCHQVASJJPUDGE-CQSZACIVSA-N	300.362	1.094	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNCC(F)(F)C(F)(F)F)cn1C	863098442	JEQSWLYMDKDKSN-UHFFFAOYSA-N	313.226	1.126	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H]1CCCN1S(=O)(=O)CBr	867023381	HKXGTNHMHRMYKM-SECBINFHSA-N	322.228	1.846	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cc(F)cc2nn[nH]c12	764498338	GDOGNEDLRSXEAE-UHFFFAOYSA-N	316.252	1.762	50	20	DDGD	
CC(=NNC(=O)CS(C)(=O)=O)c1cccc(CC(C)C)c1	863187004	UMJNKSDZOLWROS-UHFFFAOYSA-N	310.419	1.770	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)Cc2ccco2)cc1	765484702	HSJWXQXVDZGOQB-UHFFFAOYSA-N	302.334	1.741	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1cccc(SC(F)F)c1	763514911	ADEBLDTYAAWHCY-UHFFFAOYSA-N	303.290	1.107	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=C1CCN2CCC[C@@H]12	765557402	RQFSFTGBFGYQOH-HNNXBMFYSA-N	311.389	1.685	50	20	DDGD	
C[C@H](c1ccccc1F)[C@@H](O)C(=O)NN[C@H](C)C(F)(F)F	869376786	KPOUJAIYPWJFKD-SOCHQFKDSA-N	308.275	1.862	50	20	DDGD	
C=CC(=O)N(C)CC(=O)NNc1cc(C(F)(F)F)ccn1	861848060	FBIAKGMGLAULCK-UHFFFAOYSA-N	302.256	1.188	50	20	DDGD	
Cc1cccc(-n2cc(C(=O)NN[C@H](C)C(F)(F)F)nn2)c1	862308301	BZPUJKPFHVDUHN-SECBINFHSA-N	313.283	1.761	50	20	DDGD	
CO[C@H](C)C(C)=NNC(=O)c1csc(N2CCOCC2)n1	763141235	VJLVGPIIVNOUFQ-SNVBAGLBSA-N	312.395	1.120	50	20	DDGD	
CCn1nncc1CNC(=O)NNc1ccc(Cl)c(OC)c1	875766640	YMMLFRATPQJZSY-UHFFFAOYSA-N	324.772	1.786	50	20	DDGD	
O=C1NCC[C@@]1(C(=O)NNc1ccc(F)cn1)C1CCCC1	874646996	KRRKXMZCWCWFIC-OAHLLOKOSA-N	306.341	1.360	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc2c(c1)C(=O)N(C)CC2	878941235	PRNVZGCHQIQNDU-UHFFFAOYSA-N	306.322	1.049	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC(C(C)(C)O)CC1	879627332	BAZFCUIYDQBVOA-LBPRGKRZSA-N	313.442	1.051	50	20	DDGD	
CC[C@H](OC)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874950439	CMCSRGPMKNXQOV-LBPRGKRZSA-N	310.423	1.495	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2ccnc(Br)c2)nc1	771547910	WPIRFUMKKRDXLG-UHFFFAOYSA-N	318.134	1.868	50	20	DDGD	
CCCN(C)CC(=O)NNC(=S)Nc1ccccc1OC	873768630	DTFMFCJCYIPGHC-UHFFFAOYSA-N	310.423	1.355	50	20	DDGD	
O=C(NN=C1CCS(=O)CC1)c1nc2ccccc2s1	872437541	LLANTDIZQHGXKW-UHFFFAOYSA-N	307.400	1.925	50	20	DDGD	
CCCSc1nsc(NC(=O)NN(C)C(=O)OC)n1	878946044	XKDICCPPGQCMBE-UHFFFAOYSA-N	305.385	1.775	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@@H]2CCCN(C(C)C)C2)cc[nH]1	875238533	NRKPWOHHBIVGRG-AWEZNQCLSA-N	305.426	1.558	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C1(C#N)CC(C)C1	772191193	OSEMBGOSXAGKOI-VTWZXRTESA-N	309.366	1.051	50	20	DDGD	
C=C[C@H](COC)NC(=O)NNc1ccc(CC(=O)OC)cc1	1118295812	IVSPUAFZNSMPOU-GFCCVEGCSA-N	307.350	1.229	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(C)c(CC)s1	771938968	KAZOMBLPJZPLRK-SECBINFHSA-N	312.391	1.722	50	20	DDGD	
Cc1cccc2c1CC[C@H]2NC(=O)NNC(=O)C1CCNCC1	1118026942	LNDKUXVXYFCCIK-OAHLLOKOSA-N	316.405	1.312	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCc1ccccc1OC	771893618	SXVQWEOKUNAYEY-LLVKDONJSA-N	322.361	1.117	50	20	DDGD	
O=C(NN=Cc1ncc(C2OCCO2)s1)c1ccccc1	772990739	OQNJOSJAUUVZPF-UHFFFAOYSA-N	303.343	1.952	50	20	DDGD	
O=C(NN=C1CCCOCC1)c1nn(-c2ccccc2)cc1O	770590972	DIJWXTLWHJYZQV-UHFFFAOYSA-N	314.345	1.864	50	20	DDGD	
CO[C@@H]1CN[C@](C)(C(=O)NC[C@]2(C)C[C@H]2Br)C1	876986058	XEYOWENBPBUWJU-QCMRWSPLSA-N	305.216	1.043	50	20	DDGD	
Cc1cnn(-c2c(C(=O)N3CC=C(C#N)CC3)c(C)nn2C)c1	779039700	DDVIEYTXXOKSCY-UHFFFAOYSA-N	310.361	1.519	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2ccccc2CC#N)n1	777405587	OJHHRXGGANQAGI-UHFFFAOYSA-N	311.345	1.546	50	20	DDGD	
CCCn1cc(C=NNC(=O)CCc2ccc(OC)cc2)nn1	872345496	YVTXGGFLCIYQMN-UHFFFAOYSA-N	315.377	1.780	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)Cc1ccc(OC)c(OC)c1	779823063	JYKPYAYLSVNLDJ-UHFFFAOYSA-N	323.349	1.094	50	20	DDGD	
C[C@@H]1CCC[C@H](C(=O)NNc2nc(O)c3cnn(C)c3n2)C1	770972953	KRLCSUNIFUNMLQ-BDAKNGLRSA-N	304.354	1.338	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)C2[C@@H]3CCC[C@@H]23)cc1	776697609	NXIMVXWRODSNRM-CHWSQXEVSA-N	316.357	1.345	50	20	DDGD	
CCOc1nc(C(=O)NNC(=O)c2cccc(C#N)c2)co1	772854814	UFHWWAVQSZDWFW-UHFFFAOYSA-N	300.274	1.020	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)c1cc(Br)c[nH]1)C(C)C	771094916	NLFYBNBNNYRSCW-SECBINFHSA-N	318.171	1.209	50	20	DDGD	
CC#CCCNC(=O)NNC(=O)CSc1ccccc1OC	776205777	NYZJZNOLAAGCAD-UHFFFAOYSA-N	321.402	1.531	50	20	DDGD	
CCOC(=O)C(F)(F)[C@@H]1CCCC(=NNC(=O)COC)C1	772843473	HSDULDFGQCRWRU-SECBINFHSA-N	306.309	1.494	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1[C@@H](C)[C@H](OC)C1(CC)CC	771433660	IKDRXXANSQNTBO-RTXFEEFZSA-N	315.414	1.193	50	20	DDGD	
C#CCCCCC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	773304106	UWRSFZAQUQISSF-UHFFFAOYSA-N	310.357	1.827	50	20	DDGD	
O=C(NCc1cn(/C=C/CBr)nn1)C(F)(F)F	881295143	LWNDRWCIUXSKDA-HNQUOIGGSA-N	313.077	1.322	50	20	DDGD	
C[C@H](C(=O)NNc1ccccn1)c1ccc(S(C)(=O)=O)cc1	777474450	GFIQHNMTYNFQEB-NSHDSACASA-N	319.386	1.732	50	20	DDGD	
CC/C(C)=C(/C)C(=O)NNC(=O)CNC(=O)c1cccs1	779899077	MCYKTOPPHJDQJE-KTKRTIGZSA-N	309.391	1.372	50	20	DDGD	
COC(=O)N1CCC(CNS(=O)(=O)CCCCl)CC1	882192100	FGMBGCZHCFFXEV-UHFFFAOYSA-N	312.819	1.013	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](C)OCc1ccc(C)cc1	887152159	ZGWMFEJGRRDKGN-AWEZNQCLSA-N	302.374	1.851	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCc2ccc(Cl)cc2)ncn1	787435842	COYPPCJCSRXDDW-UHFFFAOYSA-N	319.752	1.583	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NNc2ccc(OC)cn2)cc1	782013222	WDGSZOMTDHUQML-UHFFFAOYSA-N	315.333	1.598	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNc1ccccc1C(=O)OC	780730058	AOFKDMZLHWKDPT-AWEZNQCLSA-N	305.378	1.791	50	20	DDGD	
CON(C)C(=O)c1ccc(NC(=O)NN=c2cc[nH]cc2)cc1	782040630	UGDDCAFNRSKUED-UHFFFAOYSA-N	315.333	1.286	50	20	DDGD	
CC(=O)Nc1ccc(NC(=O)NNC(=O)C2CCC2)cc1C	782548999	KLINAMPNNJNHQN-UHFFFAOYSA-N	304.350	1.906	50	20	DDGD	
CCNC(=O)c1ccc(NC(=O)NN(C)C(=O)NCC)c(C)c1	785838383	KJORKDYIMHXAGR-UHFFFAOYSA-N	321.381	1.443	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1scnc1C1CC1	782218818	FNFOZYBKBLZWFD-UHFFFAOYSA-N	318.358	1.494	50	20	DDGD	
CCS(=O)(=O)CCNC(=O)[C@H](Br)C(C)(C)C	781086954	AZUNIMCHGHSLFQ-QMMMGPOBSA-N	314.245	1.347	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCN1C1CCCC1)c1cccnc1	788265822	VBGKOEPMVPBAAU-OAHLLOKOSA-N	316.405	1.640	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1	786697022	QMQVGCHBHOYJJZ-VXGBXAGGSA-N	303.362	1.048	50	20	DDGD	
COc1ccc(C=NNC(=O)C(C)(C)O)cc1OCC(C)C	785466323	RGFYKQZVGNFXJW-UHFFFAOYSA-N	308.378	1.951	50	20	DDGD	
COCCn1ncc2ccc(NC(=O)NNC(=O)C(C)C)cc21	782567952	XKOUSWIZXDJOOX-UHFFFAOYSA-N	319.365	1.491	50	20	DDGD	
CC[C@@H](C)N(C)CCNC(=O)NNc1ncncc1Cl	780990082	YVDHOTDKDQSKPD-SECBINFHSA-N	300.794	1.486	50	20	DDGD	
CN1CCCC[C@H](CNC(=O)NNc2ncc(Cl)cn2)C1	897558726	MRFJUDWNVWSZRU-SNVBAGLBSA-N	312.805	1.488	50	20	DDGD	
O=C(NN=C1CCOC[C@@H]1CN1CCCCC1)c1ccncc1	787144645	KLSMMQSXKZYTIX-HNNXBMFYSA-N	316.405	1.690	50	20	DDGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)C2CSC2)c1C	896385480	KNOYHINUDNBDMV-UHFFFAOYSA-N	315.402	1.962	50	20	DDGD	
COc1ccccc1OCC(=O)NN=CCC1CCOCC1	788699928	LQPGHFBAAQIAQJ-UHFFFAOYSA-N	306.362	1.993	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCOC1)c1cccc(OCC(=O)O)c1	792653120	CUENUGNPLGMWRK-GFCCVEGCSA-N	306.318	1.027	50	20	DDGD	
N[C@H]1C[C@@H](CNC(=O)NNc2ccc(OC(F)F)cc2)C1	892563078	RRIHYHGFWRRYSD-DTORHVGOSA-N	300.309	1.651	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@H](C(C)C)[C@@H](O)c1ccccc1	794605374	OPWVAJLOEMZZGK-MAZHCROVSA-N	321.421	1.280	50	20	DDGD	
Cc1noc(C)c1C(C)(C)N[C@H](C)C(=O)NNC(=O)CC(C)C	796665762	MOCMYNRATYAZAF-LLVKDONJSA-N	324.425	1.698	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)NC2CCCCC2)cn1C	790143668	RYLCVDCLUJADMI-UHFFFAOYSA-N	306.366	1.778	50	20	DDGD	
O=C(CCc1cncnc1)NNC(=O)c1cccc2cccnc12	794260072	CQQJRBGDHQKAIB-UHFFFAOYSA-N	321.340	1.419	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2ccnn2-c2ccc(F)cc2)n[nH]1	794523468	CGKXKBPCVXAISG-UHFFFAOYSA-N	312.308	1.807	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCc2cc(C(C)C)no2)n1	792943239	RFOSNXOETDDXIZ-UHFFFAOYSA-N	317.349	1.646	50	20	DDGD	
CN1CC[C@@H]2CN(C(=O)/C(C#N)=C/c3ccc(O)cc3)C[C@@H]2C1	793940912	UMZNECFMHAWNMY-JRODMMCQSA-N	311.385	1.709	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H](O)[C@@H](C)c1ccc(C)cc1	798306813	VZNATKCNLPZCSY-WCQYABFASA-N	307.419	1.141	50	20	DDGD	
CO[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc(C)n2)C1(C)C	792979748	MGSOTPSTTJUKIN-NWDGAFQWSA-N	306.366	1.148	50	20	DDGD	
COc1cc(/C=C(/C#N)S(=O)(=O)N(C)C)ccc1[N+](=O)[O-]	794958362	MNRSCDFMVWNULI-POHAHGRESA-N	311.319	1.359	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCC3(CCOCC3)CC2)CC1	790176743	SOZGKXOLHLWMPS-UHFFFAOYSA-N	308.426	1.670	50	20	DDGD	
CCOc1ccc(C=NNC(=O)N2CCN(C)CC2)cc1OC	790175513	GBSIWQCKZUZWKW-UHFFFAOYSA-N	320.393	1.385	50	20	DDGD	
CCOC(=O)C1CCC(NS(=O)(=O)CCCCl)CC1	37843631	OEZBSYAYSUWREN-UHFFFAOYSA-N	311.831	1.657	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)NC2CC2)CC1)c1ccccc1Cl	1318245581	LDAZRKQUAUWLNU-UHFFFAOYSA-N	321.764	1.160	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1ccc(OC)cc1)[C@@H]1CCCO1	1319599611	IXWRONDJFFGYMS-KBPBESRZSA-N	321.377	1.597	50	20	DDGD	
O=C(NNc1cncc(Br)c1)c1ccc[n+]([O-])c1	1319543731	WZUJLLZKXIFSEH-UHFFFAOYSA-N	309.123	1.234	50	20	DDGD	
CC(=O)c1ccc(NC(=O)C(=O)NNc2ncccn2)cc1C	1324122002	YWQUACJIZKGUDR-UHFFFAOYSA-N	313.317	1.069	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CCc2cn(C)nc2C)c1	1329532023	YLWAMMUGLLUDMQ-UHFFFAOYSA-N	306.391	1.492	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)c1n[nH]c2c1CCCC2	1256323737	CPADWYGJVJVUJX-VHSXEESVSA-N	318.377	1.055	50	20	DDGD	
CC(=NNC(=O)c1cc(C)[nH]n1)c1c(C)nc2sccn12	1253080658	XJOKPDVVHLPIQA-UHFFFAOYSA-N	302.363	1.890	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CCc3nnc(O)n3C2)c(Cl)c1	1337303876	RWYNWHLTNAUDOT-SECBINFHSA-N	321.768	1.651	50	20	DDGD	
Cc1cc(C(=O)N2CC[C@H](B(O)O)C2)c(C)n1Cc1ccco1	1330262996	YBPUBGHWRXUDKI-ZDUSSCGKSA-N	316.166	1.435	50	20	DDGD	
O=S(=O)(NC[C@H]1C[C@H](O)C1)c1ccc(CCCl)cc1	720908430	YVHNAXQWPGTYRG-HAQNSBGRSA-N	303.811	1.517	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cc(OC)c(OC)cc1F	1332736041	RQTBMXAYBZNMRI-UHFFFAOYSA-N	323.324	1.799	50	20	DDGD	
CN(CC(=O)NNc1nc(O)c2ccccc2n1)CC(C)(C)C	1332054184	PYRUDZOYPORBRU-UHFFFAOYSA-N	317.393	1.756	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C(C)(C)Oc2ccccc2)cn1	1252247799	LWJHKXGNKCGRBY-UHFFFAOYSA-N	302.334	1.039	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=C1CCOc2c(F)cc(F)cc21	1251257525	SEGXKGNPIUCNHX-UHFFFAOYSA-O	318.303	1.555	50	20	DDGD	
Cc1ccccc1NCCC(=O)NNc1nncc(N)c1Cl	1253123165	CKHLBMRFVPAPFQ-UHFFFAOYSA-N	320.784	1.966	50	20	DDGD	
CCOCc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	1332151845	HQVDZNKINMLDQJ-RISCZKNCSA-N	321.377	1.801	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	1349068733	MPTKCMQPEBSNHL-JSGCOSHPSA-N	305.378	1.293	50	20	DDGD	
CN[C@@H](C)CCNC(=O)NNC(=O)Nc1cc(F)cc(F)c1	1261376318	MQHCJEJEANSDNE-QMMMGPOBSA-N	315.324	1.299	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1cnc(C(F)(F)F)nc1	1352930626	QPCCEVJILWINCS-UHFFFAOYSA-N	303.244	1.448	50	20	DDGD	
CSSCCNC(=O)N1CCC2(CC1)CNC(=O)N2C	1519349557	XKPNNJNPUAOEHP-UHFFFAOYSA-N	318.468	1.197	50	20	DDGD	
O=C(/C=C/c1cnccn1)NNc1cccc(F)c1C(=O)O	1601246498	WNQYHMCGAWWAKC-SNAWJCMRSA-N	302.265	1.470	50	20	DDGD	
O=C(Cc1cnccc1Cl)NNc1ccc(C(=O)O)cn1	1608369828	HZRXNUWQJSUPIA-UHFFFAOYSA-N	306.709	1.514	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1cccnc1F	1607142007	VOIKJNQOFSJVGL-UHFFFAOYSA-N	305.265	1.684	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H](C(=O)O)C(C)(C)C)C1CC1	1603243349	QBMROQDMNNAFJJ-CBAPKCEASA-N	301.412	1.027	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cc(-c2nn[nH]n2)cs1	1609560173	YQMUDYCUXMRKKA-UHFFFAOYSA-N	322.741	1.129	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1C(=O)O	1600945062	DWSNMRAPQQOMIU-OQLLNIDSSA-N	323.352	1.989	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H](C(=O)O)C(C)(C)C)C1CC1	1603243350	QBMROQDMNNAFJJ-IONNQARKSA-N	301.412	1.027	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2CCOc3ccccc32)nc1	1608904093	GTXBJIGHJNHAGY-LBPRGKRZSA-N	313.313	1.789	50	20	DDGD	
CC(C)(C(=O)O)c1ccc(NC(=O)NNC(=O)C2CC2)cc1	1609651672	NXELXTVKRSBPOR-UHFFFAOYSA-N	305.334	1.612	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(C(=O)O)cc1F)c1ccn(C)n1	1609769055	SYJARVJGGOBACQ-QMMMGPOBSA-N	321.312	1.645	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCO2)NNc1ccc(C(=O)O)cn1	1610674529	XNKLJMWBEKPKNT-UHFFFAOYSA-N	313.313	1.401	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@@H]2C=NNC(=O)N2CCOCC2)cn1	1552447757	WVCPDNZJSRHGAW-TZMCWYRMSA-N	321.381	1.008	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@@H]1C=NNC(=O)c1cccnn1	1552925083	GGVOEFDVQNEZHL-YPMHNXCESA-N	314.349	1.094	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)CC1(CN)CC1	1579155103	DZXGYTHAESJXKW-UHFFFAOYSA-N	311.769	1.239	50	20	DDGD	
Cc1ccc(-c2cncc(C(=O)NNC(=O)[C@H]3CCN3)c2)cc1	1579648941	QEJWFGFSMUUIEN-OAHLLOKOSA-N	310.357	1.180	50	20	DDGD	
C[C@@H](N)C[C@@H](C)NC(=O)NNc1cccc2c1OC(F)(F)O2	1576145168	MENPPUYWCUYUEI-HTQZYQBOSA-N	316.308	1.760	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H](N)CC2CC2)c(C)c1	1579723073	XMWBZCDYNBTTDH-LBPRGKRZSA-N	306.435	1.748	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2N1)c1ccccn1	1580732953	KYPCMECFQYSWHR-BZPMIXESSA-N	302.378	1.153	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@@]23CCCC[C@@H]2NCC3)n1	1580468559	FQELAXJMAANWRS-ISVAXAHUSA-N	310.789	1.078	50	20	DDGD	
CC(C)(C)c1[nH]cnc1C(=O)NNc1ncccc1C(=O)O	1588747975	DNAWVDKFIDKGHG-UHFFFAOYSA-N	303.322	1.557	50	20	DDGD	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNc1cccc2c1OC(F)(F)O2	1594228039	CCPRRYIEYCSTIO-INWYIAFRSA-N	314.244	1.562	50	20	DDGD	
O=C(O)c1cc(C(=O)NNc2ccnc(C(F)(F)F)c2)[nH]n1	1594781827	JCGIVWNTNOPOLO-UHFFFAOYSA-N	315.211	1.279	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)C(C)(C)OC)C1	1841109409	UFLYHYOIFPQZIC-LLVKDONJSA-N	316.829	1.632	50	20	DDGD	
C[C@]1(CNC(=O)NNc2ccc(F)c(C(=O)O)c2)CCOC1	1594021010	YPVZQEATVPWPAR-CQSZACIVSA-N	311.313	1.577	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NN=Cc1ccccc1OCC(=O)O	1776102632	UPPQLUUUNLWBDC-YPMHNXCESA-N	306.318	1.025	50	20	DDGD	
CC(=NNC(=O)c1cn[nH]c1)c1cnc2ccccc2c1C(=O)O	1776093814	MMCZHDUSYRMSRD-UHFFFAOYSA-N	323.312	1.810	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NN=Cc1cc(C(=O)O)ccc1N(C)C	1776102416	PHOMQVYRHASBJR-JSGCOSHPSA-N	319.361	1.326	50	20	DDGD	
COCCC1(CNC(=O)NNC(=O)Cc2cccnc2)CCC1	158878016	XNYQRVYIOKLGPF-UHFFFAOYSA-N	320.393	1.161	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](CCC#N)c1ccccc1	160646325	WYVVSRCXEGAZOS-CYBMUJFWSA-N	304.350	1.398	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccc(C#N)cc2)c1-n1cccc1	155214466	ONLNSYVAMIRTMI-UHFFFAOYSA-N	306.329	1.839	50	20	DDGD	
O=S(=O)(CBr)N[C@@H](CO)CC1CCCCC1	841575956	TWKILBBMRSMGIU-SNVBAGLBSA-N	314.245	1.590	50	20	DDGD	
O=C(NN=Cc1cccc([N+](=O)[O-])c1)c1[nH]nc2c1CCCC2	1920598	VNIXCUDZYLMTEZ-UHFFFAOYSA-N	313.317	1.961	50	20	DDGD	
CCNC(=O)CCCC(=O)NNc1ccc(F)c(F)c1F	104889003	ZNJMSJNQQNUXDL-UHFFFAOYSA-N	303.284	1.853	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)C(=O)NNC(=O)c1cccc(C#N)c1	103401325	VHKVMIDQLOVLND-SECBINFHSA-N	312.329	1.728	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)c1cccc(C#N)c1)c1ccccc1	106651573	XORUDELFFNXFGH-GOSISDBHSA-N	323.352	1.881	50	20	DDGD	
O=C(Cc1cccc(F)c1)NNc1nc(-c2ccncc2)no1	102158814	AVUOEZHPTNUGGM-UHFFFAOYSA-N	313.292	1.957	50	20	DDGD	
CCC1(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)CCC1	175855220	UKIZLXSDMCRIJO-STQMWFEESA-N	311.426	1.213	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NCc1cc[nH]n1	170840477	MKZMANYIGGGTLQ-UHFFFAOYSA-N	301.350	1.263	50	20	DDGD	
CCCN1CC[C@H](CNC(=O)NNC(=O)c2ccccc2)C1	54806345	IMWBJVUAKXSEON-CYBMUJFWSA-N	304.394	1.363	50	20	DDGD	
CCN(CC)CC(=O)NNC(=O)c1ccc(Cl)cc1F	176818132	BTUBLSKMYNKWBM-UHFFFAOYSA-N	301.749	1.582	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)n1	113622785	BXSATPCZAKQORK-COPLHBTASA-N	321.425	1.655	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CC2CCOCC2)cc1C	117231459	PPAAUEJVECVSLK-UHFFFAOYSA-N	320.389	1.646	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)c2ccc(C)cc2O)n(C)c1	176030391	YFJBPPJZTRFURF-UHFFFAOYSA-N	315.329	1.317	50	20	DDGD	
CCC(CC)[C@@H](O)CNC(=O)NNC(=O)c1ccc(C)s1	111478750	RFCAGTTVDFLFIQ-NSHDSACASA-N	313.423	1.798	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O)C1CC1	175812072	QICUUEWNGOTWPG-JTQLQIEISA-N	314.345	1.385	50	20	DDGD	
CN(C)C(=O)CCCC(=O)NNC(=O)c1cccc(Cl)c1	173617704	IMQMHAQAZMFDJY-UHFFFAOYSA-N	311.769	1.360	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cc(C)n([C@@H](C)COC)c1C	302893236	XHIYDIMMVYZTIT-LWLPBDFMSA-N	319.405	1.982	50	20	DDGD	
Cc1nc(CC(=O)NNC=C2C(=O)CC(C)(C)CC2=O)cs1	60863526	PXMBPSOWCJOESF-UHFFFAOYSA-N	321.402	1.457	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(Cl)cn2C)nc1	179787400	LNGGNRYFVCXSHJ-UHFFFAOYSA-N	308.725	1.617	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2n[nH]c3ccccc23)n1	174491040	BUJFFZAIZVJGFN-UHFFFAOYSA-N	312.333	1.356	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1csc(C2CC2)n1	175795091	NRNRBWQJPZNPCN-UHFFFAOYSA-N	302.359	1.419	50	20	DDGD	
CC(C)C(=O)NCCCNC(=O)NNc1cccc(C#N)c1	121978196	FEIOUYXRANUVHC-UHFFFAOYSA-N	303.366	1.347	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccc(F)cc1O	123510382	PATAHPFGDMWQLS-UHFFFAOYSA-N	318.304	1.544	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@H](c1ccccc1)C(C)C	66700187	IBRWIEMDNJGHGR-AWEZNQCLSA-N	307.394	1.793	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Nc1ccncc1F	184175582	NBGXHHAZBABGEV-UHFFFAOYSA-N	318.308	1.625	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2c(F)cccc2F)n1	181516797	BRMJEHMNZMNYDO-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
O=C(NNC(=O)c1noc2c1CCCCC2)c1cccnc1	122050347	MYQFUQWQYABDNE-UHFFFAOYSA-N	300.318	1.413	50	20	DDGD	
C[C@H](OCC1CC1)C(=O)NNC(=O)CCOc1ccccc1	129182803	FRZZFHAVCNEEOZ-LBPRGKRZSA-N	306.362	1.418	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccccc1N1CCOCC1	185412715	NOBLQAYCPHIAGO-UHFFFAOYSA-N	319.405	1.720	50	20	DDGD	
COC(=O)C1(CNC(=O)/C(C#N)=C\c2ccc(F)cc2)CC1	189252083	CCSRYRKTSGLPIV-WQLSENKSSA-N	302.305	1.802	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@@H]2CCOC2)c1	125064942	RHBXDTBQWFPDCS-CYBMUJFWSA-N	320.389	1.681	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNC(=O)c1ccc(Cl)cc1OC	120159174	FLKIXISEMJUAII-CQSZACIVSA-N	314.769	1.661	50	20	DDGD	
CSSCCNS(=O)(=O)c1ccc(C(=O)O)cc1C	284201695	YYSSEMQXKQGEKE-UHFFFAOYSA-N	321.445	1.983	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCC1CCN(c2ccncc2)CC1	180294005	HJKZCBQYDILIAQ-FYWRMAATSA-N	314.389	1.858	50	20	DDGD	
O=C(NCCc1ccccn1)NNC(=O)c1c[nH]c2ccccc12	78330722	GELXTBPFHOYPIZ-UHFFFAOYSA-N	323.356	1.750	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1ccc(Cl)cn1	126387472	DJRABWMVUOMUEM-UHFFFAOYSA-N	304.737	1.608	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2scnc2C)cc1	76460567	IFEJYPBVAGTESN-UHFFFAOYSA-N	320.374	1.333	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2ccc(N(C)C)cc2)n1	31727618	LOVRKJDYHBTYEB-UHFFFAOYSA-N	314.393	1.986	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C	77315995	DWZUUQJUDJQCBY-UHFFFAOYSA-N	311.345	1.540	50	20	DDGD	
O=C(NCCCc1nc2ccccc2[nH]1)NNc1ncccn1	195060226	JHMLQIVWALPYBE-UHFFFAOYSA-N	311.349	1.612	50	20	DDGD	
O=C(CCc1nnc(-c2ccccc2)o1)NNC(=O)NC1CC1	138657387	WVCNCNKXCPDWKR-UHFFFAOYSA-N	315.333	1.162	50	20	DDGD	
N#C/C(=C/c1csnn1)C(=O)Nc1ccccc1C(=O)O	44024992	WKNSICQPFLBUIS-YVMONPNESA-N	300.299	1.782	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)COC1CCCC1	44959766	LVYPCUHASTXSQH-NSHDSACASA-N	324.352	1.700	50	20	DDGD	
C[C@@H](CBr)CN1CCC(N2CCNC2=O)CC1	133646298	SNAFFMCNQCNBIQ-JTQLQIEISA-N	304.232	1.507	50	20	DDGD	
C[C@@H](CBr)CN1CCC[C@@H](CS(C)(=O)=O)C1	381575226	YEMVGFRJZCYHEF-WDEREUQCSA-N	312.273	1.774	50	20	DDGD	
O=C(NNC(=O)C1(c2cccc(Cl)c2)CC1)N1CCOCC1	194897904	VKVCRAKDTCFWTG-UHFFFAOYSA-N	323.780	1.445	50	20	DDGD	
Cn1cnc(CNC(=O)NNc2ccccc2C(F)(F)F)n1	92376559	BWDCRQSRFKTRJZ-UHFFFAOYSA-N	314.271	1.660	50	20	DDGD	
C[C@@H](OC[C@H]1CCCO1)C(=O)NNc1cc(C#N)cc(Cl)n1	93546307	FCQDGTNZNWKYJW-MWLCHTKSSA-N	324.768	1.634	50	20	DDGD	
O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccncc1	98022490	SUGKMHBNNAWTBU-UHFFFAOYSA-N	301.262	1.456	50	20	DDGD	
C[C@@H](Oc1ccccc1Cl)C(=O)NNC(=O)c1ccc[nH]1	97160318	JHUSALCEFQRYCP-SECBINFHSA-N	307.737	1.897	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cccnc2)c(C(C)(C)C)n1	92234762	JDHMUUZEHBALRS-UHFFFAOYSA-N	301.350	1.187	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CCc1nnc(C2CCCC2)o1	268343824	HQTQKQAJZJGNRI-UHFFFAOYSA-N	308.382	1.853	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)N[C@H](C)C2CC2)c(F)c1	267628964	PZGWNYGRMZURLC-MRVPVSSYSA-N	311.382	1.742	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccccc1CN1CCOCC1	266864205	VODOCUCGEMHNPE-UHFFFAOYSA-N	319.405	1.326	50	20	DDGD	
Cc1ccc(OS(=O)(=O)CBr)c([N+](=O)[O-])c1	271377344	JNJQWQLGDNOLSA-UHFFFAOYSA-N	310.125	1.964	50	20	DDGD	
COCC1(O)CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CC1	273189386	GLHYKEBUZYKTBA-UVTDQMKNSA-N	318.348	1.733	50	20	DDGD	
CC[C@H](C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC	276630568	VOKBABNSPAKKGF-MRVPVSSYSA-N	315.713	1.891	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=O)C(C)(C)C	275549460	BMVWCTMHOYADPP-UHFFFAOYSA-N	310.310	1.802	50	20	DDGD	
CCOc1cc(C(=O)NNC(=O)NC2CC2)cc(Cl)c1O	273815842	BUNDCVDJXUIWRY-UHFFFAOYSA-N	313.741	1.551	50	20	DDGD	
COCCOc1ccccc1C(=O)NNc1cccc(OC)n1	272583055	YMZGSHKBTGZNTL-UHFFFAOYSA-N	317.345	1.872	50	20	DDGD	
COC(=O)c1ccc(OC(C)C)c(NC(=O)NNC(C)=O)c1	273178694	GNROCADPSQMDMH-UHFFFAOYSA-N	309.322	1.433	50	20	DDGD	
C=C(CBr)CN1Cc2ccccc2C[C@H]1C(N)=O	375308598	GDFVEEZKAYWYKY-ZDUSSCGKSA-N	309.207	1.850	50	20	DDGD	
COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NNC(=O)C2CCC2)c1	276564631	UDVUMTPVMQAODD-OCCSQVGLSA-N	318.373	1.755	50	20	DDGD	
CC(C)C(C)(C)C(=O)NNC(=O)COc1ccc(C#N)cc1	275774589	INXMWHGMTOEWIE-UHFFFAOYSA-N	303.362	1.767	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2(C)CCCC2)cc1	282651718	HJRVBDSCFMJIIP-UHFFFAOYSA-N	303.362	1.661	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)COCc1ccnn1C	286086584	VZBBLJWJEXHQAI-UHFFFAOYSA-N	302.378	1.951	50	20	DDGD	
O=C(NNc1cccnn1)NC1CCC2(CCOCC2)CC1	371197357	CNAIEZLDLIFEDK-UHFFFAOYSA-N	305.382	1.842	50	20	DDGD	
Cc1coc(C)c1C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1	289038996	JXXHZDTVANCASR-TXEJJXNPSA-N	323.393	1.157	50	20	DDGD	
CCC[C@](C)(CC)C(=O)NNC(=O)CNC(=O)c1ccco1	280184482	GZHXPGQSOHPNJH-HNNXBMFYSA-N	309.366	1.373	50	20	DDGD	
O=C(NNc1ccc2c(O)nccc2c1)N[C@@H]1C[C@H]2CC[C@@H]1O2	287606297	NSYFPCIKVMGMFZ-BNOWGMLFSA-N	314.345	1.886	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)C(=O)N2CCC[C@@H](C)C2)n1	283010854	RYNCUPHJOBGREN-MRVPVSSYSA-N	311.773	1.140	50	20	DDGD	
Cc1nccn1CCCNC(=O)NNC(=O)c1ccccc1	299019778	WNASIESTVHSJCP-UHFFFAOYSA-N	301.350	1.226	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C1CCSCC1	807370977	ASGSQRBPOBRZTD-UHFFFAOYSA-N	304.412	1.066	50	20	DDGD	
O=C(Cn1cc(Br)cn1)NNc1ncccc1F	804214909	VPPFZFWLINBIKF-UHFFFAOYSA-N	314.118	1.323	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CCCN(c2ccccc2)C1=O	293545839	DISKEJDATOPKBH-LBPRGKRZSA-N	305.334	1.159	50	20	DDGD	
COc1ccc(COC(=O)/C(C#N)=C\c2ccc(O)cc2)nn1	801279081	RZXWSRDUUFQHGW-WQLSENKSSA-N	311.297	1.841	50	20	DDGD	
CN(NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccccc1	298347416	UWSPKVWGLLSEAT-SNVBAGLBSA-N	315.295	1.565	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C	807403959	UJZDPMVXOXSFNV-WFASDCNBSA-N	322.409	1.045	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccc(C)n2C)cc1	802059731	QYSPDBHSPHYUIQ-UHFFFAOYSA-N	302.334	1.809	50	20	DDGD	
CSc1nsc(NC(=O)NNc2cccc(F)n2)n1	806340464	QLRXLSUGISNUFM-UHFFFAOYSA-N	300.344	1.943	50	20	DDGD	
N#CCCCCCC(=O)NNc1nccc(N2CCOCC2)n1	807075988	OQPHBWPDQROLHW-UHFFFAOYSA-N	318.381	1.230	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@@H](C)OCC	298389507	DSJCOBMROSBPEE-LLVKDONJSA-N	310.350	1.037	50	20	DDGD	
O=C(C[C@@H]1OC(=O)c2ccccc21)NNC(=O)[C@@H]1CCCCO1	295627107	SAQKTILZTDLFCE-STQMWFEESA-N	318.329	1.005	50	20	DDGD	
CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)NCC(Cl)Cl)C1	297154674	RZHJZRDPJMMSBB-SSDOTTSWSA-N	311.165	1.393	50	20	DDGD	
N#Cc1cc(F)c(C(=O)NNC(=O)N=c2cc[nH]cc2)c(F)c1	802031078	BLNLXHAYNGZGJE-UHFFFAOYSA-N	317.255	1.120	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)[C@@]23CCC(=O)N2CCS3)c1	811974188	OWDVJQNSYDWFGG-HNNXBMFYSA-N	305.403	1.812	50	20	DDGD	
Cc1cc(NNC(=O)C2(c3ccccc3)CC(=O)C2)nc(C)n1	810422161	FMUNQYZTPJXMFF-UHFFFAOYSA-N	310.357	1.837	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccnc(SC(C)(C)C)c1	816772292	UHNQVNFVEUWNCW-UHFFFAOYSA-N	306.395	1.858	50	20	DDGD	
COc1ccnc(NNC(=O)c2scnc2C(F)(F)F)n1	816859825	MUCRRZYPSVLJTD-UHFFFAOYSA-N	319.268	1.717	50	20	DDGD	
COc1ccc(NCC(=O)NN=C(C)c2c[nH]nc2C)cc1	814710655	UZMLZIFNCWBZBE-UHFFFAOYSA-N	301.350	1.679	50	20	DDGD	
CC[C@H](Cc1ccccc1C)C(=O)NNC(=O)c1ncccn1	819576742	PBJMUXPXZMSSPS-CYBMUJFWSA-N	312.373	1.815	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)C[C@@H]2CCC(=O)N2)cc1OC	811630002	PFEWYEJEHCQTIU-LBPRGKRZSA-N	319.361	1.478	50	20	DDGD	
COc1cc(Cl)cc(C(=O)NNC(=O)Cc2cc[nH]n2)c1	815475706	VPNWKMCBEKHGET-UHFFFAOYSA-N	308.725	1.075	50	20	DDGD	
O=C(NNC(=O)N1CCO[C@H]2C[C@H]21)c1cccc2ccccc12	814305766	NHDCMDSMRRZUGP-CABCVRRESA-N	311.341	1.667	50	20	DDGD	
O=C(NNC(=O)c1ncoc1C1CC1)c1cccc([N+](=O)[O-])c1	814683738	NVAYDDVFXMKUOL-UHFFFAOYSA-N	316.273	1.535	50	20	DDGD	
Cc1cc(C)cc(N2CC[C@H](C(=O)NN(C)C3CC3)C2=O)c1	819646243	PKWQAIAQNMWHMX-OAHLLOKOSA-N	301.390	1.782	50	20	DDGD	
CC[C@H](CC(C)C)C(=O)NNC(=O)COc1ccccc1O	825759905	CQCVHAXHEZVCHF-GFCCVEGCSA-N	308.378	1.991	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)C[C@H]2CCC(=O)N2C)o1	824639241	IUOCXLNWXVELPZ-SECBINFHSA-N	305.338	1.124	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(F)cc1Br)N(C)C	821148463	RQKWWEYHRSFKHC-SSDOTTSWSA-N	304.163	1.981	50	20	DDGD	
COC(=O)c1ccc(O)c(C=NNC(=O)NC2CCCC2)c1	726737094	IFDLWBNDTHNWNM-UHFFFAOYSA-N	305.334	1.755	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)C[C@@H]1CC[C@H]2C[C@@H]12	825806213	ZWUWGVMHOLSHRU-SDDRHHMPSA-N	308.403	1.969	50	20	DDGD	
N#Cc1cccc(NNC(=O)NCCc2cccc(C(N)=O)c2)c1	726718032	IVADXWRFNDEMNJ-UHFFFAOYSA-N	323.356	1.526	50	20	DDGD	
CCOCC(C)=NNC(=O)c1csc(N2CCOCC2)n1	726422953	CWXXWDPLBFJZTM-UHFFFAOYSA-N	312.395	1.122	50	20	DDGD	
Cn1c(CNC(=O)[C@]2(C)C[C@@H]2Br)nnc1C1CC1	820102858	GANQNDLAZZYIFO-QPUJVOFHSA-N	313.199	1.482	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H](C)OCC2CC2)cc1	728204376	JMLBYNPPRRBFAL-LBPRGKRZSA-N	305.378	1.369	50	20	DDGD	
COc1ccc(-n2nc(C(=O)NN(C)[C@@H](C)CO)cc2C)cc1	823940173	UEADDXNLEZJSLC-LBPRGKRZSA-N	318.377	1.147	50	20	DDGD	
COC(=O)N(C)CCNC(=O)NNc1cc(F)c(F)cc1F	822793677	FBWPHAKRSGHQCY-UHFFFAOYSA-N	320.271	1.428	50	20	DDGD	
Cc1nc(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)sc1C	826114983	YHELXTVNIVORJI-SCZZXKLOSA-N	312.395	1.015	50	20	DDGD	
N#CC1=CCN(CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1	826381066	WNOFJUJRDHVERU-UHFFFAOYSA-N	323.360	1.351	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNC(=O)c2ccc[nH]2)cc1O	492644398	IJVJGKSBRNWKNO-ALCCZGGFSA-N	301.302	1.203	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cc(-c2ccccc2)nn1C	823887894	USGKBCUOXNFJQF-UHFFFAOYSA-N	300.362	1.894	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=S)NCc2cccs2)c1	728794417	VAOGESXSUDMIMC-UHFFFAOYSA-N	316.411	1.929	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)N[C@@H]1CCc2ccc(O)cc21	822672007	OQURPIKHLRUUKQ-ZIAGYGMSSA-N	319.361	1.279	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCc2cccc(F)c2C1	827276020	XYUQLJWZHQKRMU-PWSUYJOCSA-N	321.352	1.350	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](C(=O)NNC(=O)OCC(F)(F)F)CCO1	825520396	YJZQFKAJVQEEOM-IUCAKERBSA-N	312.288	1.757	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C	823951133	ICIFLUQNHCIQHV-NSHDSACASA-N	317.430	1.414	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21	825821170	KFFOEIDZWXFWJG-VHDGCEQUSA-N	317.389	1.975	50	20	DDGD	
CCC[C@H](C)C(=O)NCCNC(=O)[C@]1(C)C[C@@H]1Br	908381499	NTCKILMDJFTNIQ-OUJBWJOFSA-N	319.243	1.829	50	20	DDGD	
CC1(C)CN(C(=O)[C@@]2(C)C[C@@H]2Br)CCN1CCO	907598757	FJTQDXHPNQDOFS-GWCFXTLKSA-N	319.243	1.075	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(S)n1)c1ccccc1O	730585636	IKJQAWRUFDVSLR-UHFFFAOYSA-N	318.358	1.259	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C/c2cnc(N3CCCC3)nc2)n1	490943343	RFNRKGTYAXGCRJ-MDWZMJQESA-N	323.360	1.356	50	20	DDGD	
CCn1nc(C2CC2)cc1C(=O)NNC(=O)c1cccn1C	905345681	LEQSDBYLCHXNOI-UHFFFAOYSA-N	301.350	1.194	50	20	DDGD	
CC(C)C[C@@H]1C[C@H](NCc2ccc(B(O)O)cc2F)CCO1	585032837	NUQNOZCTLAFBMG-HUUCEWRRSA-N	309.190	1.189	50	20	DDGD	
C=C(CI)n1cc(CC(C)(C)O)nn1	900641391	RLAIASHRVCBSRJ-UHFFFAOYSA-N	307.135	1.497	50	20	DDGD	
CCC(CC)[C@H]1C[C@H](NC(=O)c2ccc(B(O)O)cc2)CCO1	584972290	SEDBOAMOOVJXSP-HZPDHXFCSA-N	319.210	1.080	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCC[C@H]2C[C@H]3CC[C@H]2O3)n1	838755665	MDKLMQWXNYOGJC-QJPTWQEYSA-N	321.381	1.377	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2ccn(C(C)C)n2)n1	739050896	DEKKMLBHLCNMRA-UHFFFAOYSA-N	305.342	1.089	50	20	DDGD	
Cc1ccc([C@H](CNCc2ccccc2B(O)O)N(C)C)cc1	585019648	QJIWKRWILWNNEZ-SFHVURJKSA-N	312.222	1.067	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(Cl)cnc1OC(C)C	836735061	SCFDWVRVFIHYRH-UHFFFAOYSA-N	316.745	1.321	50	20	DDGD	
CO[C@@H]1C[C@H](NC(=O)NNc2nc(C)cc(C)n2)C12CCC2	838768455	QUOAVMFRWCZFEB-NWDGAFQWSA-N	305.382	1.677	50	20	DDGD	
COCCn1cc(C(=O)NNc2ncccc2Cl)ccc1=O	734245922	WVOUKRNVWOPEGP-UHFFFAOYSA-N	322.752	1.300	50	20	DDGD	
Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNc1ccc(Cl)nn1	735688254	IFLAKTCUVGJYRX-SSDOTTSWSA-N	308.773	1.727	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2CCN3CCCC[C@@H]23)C[C@@H]1Br	906198925	LOLQTRKKKYZEDT-BLFANLJRSA-N	301.228	1.903	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1	839410345	TUSVFNMSPBQLRB-ZETCQYMHSA-N	306.796	1.286	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1cccc(Br)c1	833384235	FSPMQGIDGVZVRE-UHFFFAOYSA-N	314.139	1.557	50	20	DDGD	
CCc1cnccc1[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCCCO1	836385111	COTBZWFOILQQNU-RISCZKNCSA-N	320.393	1.605	50	20	DDGD	
COCCCNC(=O)NN=Cc1cccc(C(=O)N(C)C)c1	901177941	XRVIMPYARUYQFE-UHFFFAOYSA-N	306.366	1.058	50	20	DDGD	
CCc1cccc2c1OCC[C@@H]2NCc1ccc(B(O)O)o1	585021712	CFJSFIODRNHLTN-AWEZNQCLSA-N	301.151	1.135	50	20	DDGD	
CCOC(=O)CC1(S(=O)(=O)NCCSSC)CC1	831421822	WZNUUEWKJPGBAD-UHFFFAOYSA-N	313.466	1.403	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CC(C)(C)C[C@@H]2C)c1	839658444	NSCLUGIDSYVXLV-ZDUSSCGKSA-N	303.406	1.876	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1ccc([C@H]2C[C@H]2C)o1	732766566	TWJCOYUDHTXIJX-NFAWXSAZSA-N	319.405	1.821	50	20	DDGD	
Cc1n[nH]c(C)c1C=NNC(=O)c1cc(Br)c[nH]1	915956894	GWTCAHXNONHCBZ-UHFFFAOYSA-N	310.155	1.881	50	20	DDGD	
COc1cc(F)cc(C[C@H](C)NC(=O)NNC(=O)C(C)C)c1	836671114	ICLVEHJKRKUXPU-JTQLQIEISA-N	311.357	1.752	50	20	DDGD	
COCCN(C)NC(=O)C(F)(F)c1ccccc1NC(C)=O	837627452	WWOKMRVFDNHMRL-UHFFFAOYSA-N	315.320	1.346	50	20	DDGD	
CS(=O)(=O)C[C@H](C(=O)N1CC=C(C#N)CC1)c1ccccc1	831488401	QMFFNFPYHUJOEP-HNNXBMFYSA-N	318.398	1.497	50	20	DDGD	
COC[C@]1(C)CCN(CC(=O)NNC(=O)c2cccc(C)c2)C1	830529588	MQBDVZVVAWJCJV-QGZVFWFLSA-N	319.405	1.114	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H](C)c2ncnn2C)cc(C#N)n1C	834305806	HJULLNOGJFZMMC-QWGQVVDNSA-N	323.360	1.118	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)c2cnsn2)cc1	918321516	VPYHVICINMGPBL-UHFFFAOYSA-N	323.403	1.568	50	20	DDGD	
Cc1ccc(F)c(C=NNC(=O)Cc2cc(O)nc(O)n2)c1	743445754	FNBTUSAZDXMEQD-UHFFFAOYSA-N	304.281	1.028	50	20	DDGD	
CC1=C(C)C(=O)N(CCC(=O)NNc2ccnc(Cl)c2)C1=O	912396865	RHLWDLXKANRGIN-UHFFFAOYSA-N	322.752	1.273	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)NC1CCCCC1)C(=O)N2	916299743	UMYJRGOSGIOFQH-UHFFFAOYSA-N	316.361	1.983	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cc(-c3ccco3)[nH]n2)n1	740114486	XLZLTUSPSOWPJA-UHFFFAOYSA-N	313.321	1.283	50	20	DDGD	
CO[C@@]1(C=NNC(=O)COc2cc(C)ccc2C)CCOC1	841607326	VMKCHIZPJMIEFF-MRXNPFEDSA-N	306.362	1.590	50	20	DDGD	
CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NNC(=O)C1CCCC1	748175134	VLYFKJIADTZXTF-CYBMUJFWSA-N	323.437	1.751	50	20	DDGD	
CCOC(=O)c1sc(NC(=O)NN)c(C(=O)OCC)c1C	841157074	DNXIGZLDXISZSC-UHFFFAOYSA-N	315.351	1.405	50	20	DDGD	
COC(=O)c1sccc1S(=O)(=O)NCCCSC#N	916964031	HPGHEOUDSXFNEK-UHFFFAOYSA-N	320.417	1.417	50	20	DDGD	
O=C(CSc1cnccn1)NNC(=O)c1ccc(F)cc1	742204675	OWYADSRVWXPLFY-UHFFFAOYSA-N	306.322	1.169	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)Cn2cc(C)cn2)cc1	846371556	GDKGNLOKSCEGSS-UHFFFAOYSA-N	302.334	1.050	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(-n2nc(C)cc2C)nc1	840924971	HQOJKPJKXJUJGK-UHFFFAOYSA-N	318.337	1.619	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1occc1Br	843653675	OBQUOIJTAOMECV-BQBZGAKWSA-N	317.139	1.228	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H](C)C(F)(F)F)cc1	742474157	DWHSWHYZMZUQRS-VIFPVBQESA-N	304.268	1.720	50	20	DDGD	
NCC(F)(F)CNC(=O)NNc1cccc(Br)n1	841970649	DDYKEICPMNNFOU-UHFFFAOYSA-N	324.129	1.064	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)C(C)C)Oc1ccccc1F	748977206	OLNNVXVUJODPSX-NSHDSACASA-N	311.357	1.970	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCC2(N(C)C)CC2)c(F)c1	922991647	ZSSNPZCHVYYOCM-UHFFFAOYSA-N	324.356	1.333	50	20	DDGD	
Cn1ccnc(NNC(=O)CCCc2ccc(F)cc2)c1=O	848371755	VNCHTPTVEIXIOY-UHFFFAOYSA-N	304.325	1.385	50	20	DDGD	
COc1ccc(CCC(=O)NN=C(C)c2cnn(C)c2)cc1	920829388	OBZXWNUDPLPMBH-UHFFFAOYSA-N	300.362	1.902	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnc3n2[C@H](C)CCC3)o1	845736568	BQEWDAYECGTHOH-SECBINFHSA-N	302.334	1.757	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2cnc(C(C)C)[nH]2)o1	753086815	WWPFZHVFSBUCHK-UHFFFAOYSA-N	312.351	1.058	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H]2COC[C@H]2C)c(F)c1	926015765	AVJGDYZUAWKMIW-PRHODGIISA-N	311.313	1.273	50	20	DDGD	
COCCOC[C@@H](C)NC(=O)NNc1ccc(Cl)cn1	852191041	AROREKPXCQQCGC-SECBINFHSA-N	302.762	1.413	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cnco2)ccc1OC(C)C	758096293	SRDLXCLPCNRSSY-UHFFFAOYSA-N	319.317	1.545	50	20	DDGD	
O=C(NNC(=O)c1cn2c(n1)CCCC2)OCC(F)(F)F	856020558	LVLHGZOEUUTUCT-UHFFFAOYSA-N	306.244	1.153	50	20	DDGD	
C[C@H](NC(=O)NC[C@@]1(C)C[C@H]1Br)c1nncn1C	856717809	FYKUPVGNVUBDCC-VAOFZXAKSA-N	316.203	1.349	50	20	DDGD	
CNC(=O)NNC(=O)c1cnn(C(C)C)c1-c1ccccc1	754648346	GPOXTBXYLVTYFA-UHFFFAOYSA-N	301.350	1.705	50	20	DDGD	
CC[C@H](C)C(=O)NN=Cc1ccc(OCC(=O)O)c(OC)c1	755650952	PHEGXUYPBRJFTP-JTQLQIEISA-N	308.334	1.655	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(F)cc1OCC1CC1	756708795	UIGVKPVJWZANEX-UHFFFAOYSA-N	311.313	1.414	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCCCN1CCOC1=O	754547825	WGJPEPVKMSWNDS-JLHYYAGUSA-N	316.313	1.685	50	20	DDGD	
CC[C@@H](C)CCC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855833978	LZAGOZOCAKSGOO-GFCCVEGCSA-N	313.442	1.903	50	20	DDGD	
NC(=O)c1cccc(C=NNC(=O)c2cc(Cl)ccc2O)c1	755610687	IDIJDSMYCJXSSS-UHFFFAOYSA-N	317.732	1.908	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CC[C@H](C2OCCO2)C1	927991429	JJMRUKUSRBEGEM-GFAPJHNFSA-N	314.341	1.521	50	20	DDGD	
CCC(=O)NNC(=O)Nc1nnc(Cc2ccc(F)cc2)s1	756455159	PNMSTMYPMLQLHH-UHFFFAOYSA-N	323.353	1.831	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@@H]1C[C@]1(C)OC)c1ccccc1	852686849	ARHRRXDRQXQHGT-ZENOOKHLSA-N	305.378	1.688	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1cnc2n1CCC2	853279304	PNIBVSVAUBGQPZ-ZDUSSCGKSA-N	303.410	1.401	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2cccc3c2COC3=O)CC1	759082656	VWXHPYSDAVMEMN-UHFFFAOYSA-N	304.327	1.201	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCSc1ccccc1F	854927637	FAJBFDLKXZDDAO-UHFFFAOYSA-N	301.412	1.775	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](c1cccnc1)C(C)(C)CO	855107698	BSQYYPIOSSTCEK-ZVHGMHCTSA-N	303.362	1.701	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cc(Br)cnc1O	856764647	JCHQEQKUNIYYHQ-UHFFFAOYSA-N	316.155	1.357	50	20	DDGD	
CCC[C@H](O)CC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	750068919	VSBIUZKUWPZANU-QWRGUYRKSA-N	312.341	1.292	50	20	DDGD	
CC[C@H](Oc1ccccc1Cl)C(=O)NNc1cnnn1C	857271374	KMABFASOAAEBKJ-JTQLQIEISA-N	309.757	1.769	50	20	DDGD	
Cc1c(CSC(C)C)cccc1NC(=O)NNC(=O)CO	756761245	MIUHZRMVZQOROZ-UHFFFAOYSA-N	311.407	1.782	50	20	DDGD	
CC(=NNC(=O)C1CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	853261869	WZJXIBVXGKXXKC-LBPRGKRZSA-N	311.382	1.524	50	20	DDGD	
Cc1ncc(C=NNC(=O)c2ccc3c(c2)OCCO3)n1C	853286892	WUCQVKRZGZQDQA-UHFFFAOYSA-N	300.318	1.264	50	20	DDGD	
C[C@]1(CCC(=O)NNc2cccc([N+](=O)[O-])c2)CCC(=O)N1	753431126	RYTMWRBYEUIOFI-CQSZACIVSA-N	306.322	1.487	50	20	DDGD	
C[C@@H]1C[C@H](O)CN(C(=O)NC[C@]2(C)C[C@H]2Br)C1	856960147	LWJAIADITMUPEL-KLBPJQLPSA-N	305.216	1.572	50	20	DDGD	
C[C@@H]1Cc2cc(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)ccc2O1	855006952	RGLMBBDWDLDFKD-BREBYQMCSA-N	304.346	1.196	50	20	DDGD	
C=CCOC[C@@H]1NC(=O)N(C[C@]2(C)C[C@@H]2Br)C1=O	857227790	UQDBNMCQCKHGCS-AUTRQRHGSA-N	317.183	1.283	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cc2c(C)n[nH]c2C)c1C	855628561	ZSWYXBRTEHGYCW-UHFFFAOYSA-N	316.361	1.807	50	20	DDGD	
CC(=O)N[C@@H](CCC(C)C)C(=O)NNc1ncccc1[N+](=O)[O-]	857151629	KAMGRFOLTOEJII-NSHDSACASA-N	323.353	1.374	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1F)c1cnc2[nH]nnc2c1	755561270	QXRGLGDRXRQGGV-UHFFFAOYSA-N	308.223	1.527	50	20	DDGD	
Cn1ncc2cc(C(=O)NC[C@@]3(C)C[C@H]3Br)cnc21	857392357	AYZVMAHLEJGJBU-ZWNOBZJWSA-N	323.194	1.872	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C\c1cccc(NC(C)=O)c1	864364711	GXOVBDWYEUGTHY-ODYDIQAQSA-N	301.346	1.703	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@@H]1CCOC2(CCCCC2)C1	769174228	SKDMFNZNGIBSAU-CYBMUJFWSA-N	309.410	1.999	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2	768929825	STBNPEBBNXOKBK-UHFFFAOYSA-N	303.362	1.723	50	20	DDGD	
CON(C)C(=O)[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(F)cc1	863703556	KNGFBEXFWSWINP-BKLZJWBFSA-N	305.309	1.257	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1cn(C2CC2)nn1	860937746	DGUFJXBPWCGSGU-UHFFFAOYSA-N	312.255	1.784	50	20	DDGD	
CCCn1ccc2cc(NC(=O)C(=O)NNC(=O)CC)ccc21	763443692	NQVHCYSSLSSALI-UHFFFAOYSA-N	316.361	1.547	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=CC2CCC(C(F)(F)F)CC2)N1	863150963	BCXWEKDQBNKLBE-RTBKNWGFSA-N	305.300	1.736	50	20	DDGD	
CC[C@@H]1C[C@H](C)CCC1=NNC(=O)Cc1cc(O)nc(O)n1	769583581	DJEHMMHVAWTIJV-NXEZZACHSA-N	306.366	1.749	50	20	DDGD	
CC(C)(C)c1[nH]cnc1C(=O)NNC(=O)Cc1ccccc1F	865636434	WRNLQDHUALBKJW-UHFFFAOYSA-N	318.352	1.850	50	20	DDGD	
CCN(C)C(=O)c1cccc(C(=O)NN[C@@H](C)C(F)(F)F)c1	862312416	LLRLMPVLKIKBJJ-VIFPVBQESA-N	317.311	1.964	50	20	DDGD	
C[C@H](NNC(=O)C#Cc1ccc2c(c1)OCO2)C(F)(F)F	862315180	SHQNAMTXJGSNKW-QMMMGPOBSA-N	300.236	1.338	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H](C)c2c(F)cccc2F)n[nH]1	869015673	VINGRGMJZURTCD-SECBINFHSA-N	322.315	1.490	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccnn1C1CCCC1	767891302	NHEWNPYWIPJDRW-UHFFFAOYSA-N	304.272	1.712	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=S)NCC1CCC1	1118775847	JTJDELSEIUHCNW-IJLUTSLNSA-N	312.483	1.543	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)c1cnn2ncccc12	765463134	AMDGKUFLEVINAH-UHFFFAOYSA-N	307.235	1.904	50	20	DDGD	
COCCCNC(=O)NN=C1CCN(c2nccs2)CC1	764679949	YAVQZDMPVMHADA-UHFFFAOYSA-N	311.411	1.435	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccccc1Cl)[C@@H]1CCOC1	1116911391	QPSYJPMLANAIPV-NXEZZACHSA-N	311.769	1.709	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)OCCN1C(=O)CCC1=O	766752805	SKZQVMSVWWSZTN-JTQLQIEISA-N	320.183	1.488	50	20	DDGD	
COC(=O)N(C)NC(=O)c1occc1NC(=O)OC(C)(C)C	1117847217	SBRXPQXJFXAYQG-UHFFFAOYSA-N	313.310	1.970	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(C(=O)OC)cc1OC	879309001	BWTMCFNLIUGMGE-UHFFFAOYSA-N	311.338	1.097	50	20	DDGD	
CCN1CCOC[C@H]1C(=O)Oc1ccc([N+](=O)[O-])cc1OC	875272064	AAVIAGHSOOVMCH-NSHDSACASA-N	310.306	1.230	50	20	DDGD	
Cc1cccc2nc(C(=O)NNC(=O)NC3CCCCC3)cn12	1115817532	KRTFSCZQLCLVND-UHFFFAOYSA-N	315.377	1.919	50	20	DDGD	
COC(=O)c1ccnc(NC(=O)NNc2ncccc2C)c1	770681337	JLZJPBFWCHQNLH-UHFFFAOYSA-N	301.306	1.720	50	20	DDGD	
Cc1ncncc1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	1115851202	AGADSAXURKKFOM-JTQLQIEISA-N	318.308	1.153	50	20	DDGD	
CCc1c(C(=O)NNc2ccn(C)n2)cnn1-c1ccccc1	1116838005	QZKSGBNHSZCASA-UHFFFAOYSA-N	310.361	1.925	50	20	DDGD	
O=C(CO)NN=Cc1ccc(OCc2ccccc2F)cc1	776783112	NCXLODGUMWYOMI-UHFFFAOYSA-N	302.305	1.847	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(Cl)c(OC)cc1OC	877983149	KAPFVZUPWUANHT-UHFFFAOYSA-N	317.773	1.972	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1c(O)cccc1O	770408061	IENDDYHFPGOLAC-UHFFFAOYSA-N	316.313	1.197	50	20	DDGD	
COCCOCC(=O)NN=C1CCN(Cc2ccccc2)C1	872403197	JHZNDESTIILKIF-UHFFFAOYSA-N	305.378	1.028	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2cccc(Br)c2)C1=O	773454545	HTAMHOMCFBNDFX-JTQLQIEISA-N	312.167	1.371	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1cccc2nccn12	771098542	QYKNJOOEDPIVAX-CQSZACIVSA-N	313.405	1.906	50	20	DDGD	
CCS(=O)(=O)c1c(Cl)cccc1C=NNC(=O)NC	774373860	ARLQQTIRQIFVRO-UHFFFAOYSA-N	303.771	1.397	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CSc1cccc(OC)c1	887144290	IGCXBWFFJRSTGZ-UHFFFAOYSA-N	306.387	1.738	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)c1ccn(C(F)F)n1	776232142	QGTDDPZXEPKOCO-UHFFFAOYSA-N	304.260	1.978	50	20	DDGD	
C[C@]1(C(=O)N[C@H]2Cc3cnccc3NC2=O)C[C@@H]1Br	1123978709	XMRSVYDWPLWBEZ-KWBADKCTSA-N	324.178	1.235	50	20	DDGD	
O=C(NNc1ccccc1F)C(=O)Nc1cnn(C(F)F)c1	782706928	GAHLQZDGNCEYNJ-UHFFFAOYSA-N	313.239	1.499	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NC[C@H]2CCC=CO2)cc1	780747411	DHSROAORNDHFNL-CYBMUJFWSA-N	300.318	1.195	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCNC(=O)C1(C)C	781084458	RZQLRDSCUMYGEC-MRVPVSSYSA-N	305.216	1.533	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)COc2ccccc2)c1	780790367	YZZDWAGUXCIQIJ-UHFFFAOYSA-N	300.314	1.995	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1F)[C@@H]1CCc2nncn2C1	885153545	LDRPXTIZWDVKLT-SSDOTTSWSA-N	311.267	1.401	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cccnc1OCC(F)F	782595100	XHHKVCNYOGRCMP-UHFFFAOYSA-N	302.281	1.534	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)Cc2ccn(C)n2)cc1	782552470	GVHHJLKYDBSCHP-UHFFFAOYSA-N	318.402	1.211	50	20	DDGD	
C[C@@H](C(=O)NNc1nnc(-c2ccccn2)s1)n1cccn1	788554934	GEEBKHNZSXMOEU-VIFPVBQESA-N	315.362	1.501	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cccnn1	882057056	MFZBZMLFQPXYMF-RWMBFGLXSA-N	302.378	1.844	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@H]2CO[C@@H](C)C2)cc1	784145253	OIURSJRTNSPBBY-WDEREUQCSA-N	323.418	1.828	50	20	DDGD	
Cn1cc(C(=O)NNc2ccnc(F)c2)c(-c2ccncc2)n1	781361594	BHUICUWOAGNUAJ-UHFFFAOYSA-N	312.308	1.773	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F)C1CCC1	785411383	MVMBVGXPQUHJAX-KYXWUPHJSA-N	306.284	1.290	50	20	DDGD	
COC(=O)c1ccc(NC(=O)C(=O)NNc2ccccc2)cc1	784765313	VJNZMJVVTDIECB-UHFFFAOYSA-N	313.313	1.555	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNC(=O)NC1CCCCC1	899939841	CQKDBWZHUCVVFA-IINYFYTJSA-N	319.409	1.739	50	20	DDGD	
CN1CCC(n2ccc(NC(=O)NNC(=O)CC3CC3)n2)CC1	786698089	FRGZKBFJFVURJJ-UHFFFAOYSA-N	320.397	1.103	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@H]1CS(=O)(=O)C[C@H]1C	890502774	SQBQWDPQHIHNAN-KOLCDFICSA-N	315.370	1.193	50	20	DDGD	
Cn1ncc(Cl)c1C=NNC(=O)COc1ccccc1C#N	780198887	WXMHVTAAKYJYMM-UHFFFAOYSA-N	317.736	1.474	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cccc3c2OCO3)cc1	783348547	LIXZALPRKBCGHN-UHFFFAOYSA-N	313.313	1.806	50	20	DDGD	
COC1CCC(C(=O)NNC(=O)CCc2ccccc2O)CC1	781033155	SVRHXBQOZQATFM-UHFFFAOYSA-N	320.389	1.677	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2ccc(F)cc2C)ncn1	783447730	MGBOJJXOSGCIQN-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
Cc1cnc(Cl)c(NC(=O)NNC(=O)c2cccnc2)c1	787449381	WABQYJUBSILSNK-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccn(CC(C)C)n2)c(O)c1	895792463	JZOXTJRLFIPCTH-UHFFFAOYSA-N	316.361	1.628	50	20	DDGD	
Cn1ncc(NC(=O)NNC(=O)C(C)(C)C)c1C(F)(F)F	782098315	FQLPZWBFURQAIB-UHFFFAOYSA-N	307.276	1.638	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1cccc(C(=O)N(C)C)c1	899338421	PKHVIQSGXYDRLR-RVDMUPIBSA-N	315.373	1.448	50	20	DDGD	
Cc1cc(NNC(=O)Cn2nc(C)c3cccnc32)nc(C)n1	895153779	MEFDNVWSXHTCJO-UHFFFAOYSA-N	311.349	1.290	50	20	DDGD	
Cc1cccc(NNC(=O)c2cn(C)c3c(cnn3C)c2=O)c1	791205483	PIETWBDDHPZKDR-UHFFFAOYSA-N	311.345	1.337	50	20	DDGD	
CC(C)Nc1ccc(C(=O)NNc2nc3ccccn3n2)cn1	792513408	MQISYPICLFMCOL-UHFFFAOYSA-N	311.349	1.702	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cnc2c(c1)NC(=O)CS2	791224219	CTKDQNLDMHLCAX-UHFFFAOYSA-N	315.358	1.586	50	20	DDGD	
COCCCNC(=O)NN=C[C@H](C)NC(=O)OC(C)(C)C	799109577	GFYTZRJOCKZIGU-JTQLQIEISA-N	302.375	1.221	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)c2ccccc2O)on1	792883859	IKPWJBGPECWRND-UHFFFAOYSA-N	303.274	1.321	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NOCC(F)(F)F)nn1	1319762478	GXKMEBUMLUCQPW-UHFFFAOYSA-N	307.276	1.894	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)c1ccc(F)cc1F	1319083482	LPXHMQZVHZWXCD-SSDOTTSWSA-N	308.288	1.561	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)Cc2occc2C)cc1	1328755583	CQEALEKGXFZSCW-UHFFFAOYSA-N	302.330	1.989	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(C(C)(C)C)nn2)nn1C	1320101596	JICBHORJCIYKRQ-UHFFFAOYSA-N	302.382	1.827	50	20	DDGD	
CC(C)CNC(=O)CNC(=O)/C(C#N)=C\c1ccc(O)cc1	1324824626	TXIIERBINWLLKH-QPEQYQDCSA-N	301.346	1.188	50	20	DDGD	
Cc1ccc(O)c2c1[C@H](C)CC2=NNC(=O)N1CCOCC1	1320672794	DFELJSJGIWRMEM-LLVKDONJSA-N	303.362	1.954	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(C)c(C(=O)OC)c2)nn1C	1331131056	IETTUAXGNJUCBQ-UHFFFAOYSA-N	316.361	1.834	50	20	DDGD	
CCN(C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br)C1CC1	1331374884	MYCAAYWIJMDUNZ-JOYOIKCWSA-N	303.200	1.287	50	20	DDGD	
CC[C@@H]1c2ccccc2CN1C(=O)NNC(=O)c1cccnn1	1263153386	LKERIPJWUZZLRU-CQSZACIVSA-N	311.345	1.798	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)Nc2ccccn2)C[C@H]1Br	1337411627	AZFYDDFEDCEFEK-PRHODGIISA-N	312.167	1.310	50	20	DDGD	
N#CC1(CNC(=O)NNC(=O)c2cncn2-c2ccccc2)CC1	1344464315	XVCXXNXCMOHPGK-UHFFFAOYSA-N	324.344	1.120	50	20	DDGD	
Cc1coc(CC(=O)O)c1C(=O)NNc1nc2ccccc2[nH]1	1600641417	AYBPEMXFCFJBDO-UHFFFAOYSA-N	314.301	1.848	50	20	DDGD	
O=C(NCCC[C@@H]1CCOC1)NNc1cccc(C(=O)O)c1	1601495411	AKLQJFHZIOYEAY-LLVKDONJSA-N	307.350	1.828	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cnc3n2CCC3)cc1Cl	1602384047	BYQGJKLKBCLPDN-UHFFFAOYSA-N	320.736	1.938	50	20	DDGD	
COC[C@@H](NC(=O)NNc1cccc(C(=O)O)c1)[C@H]1CCCO1	1606806888	BWYQIXQLOYXLTB-CHWSQXEVSA-N	323.349	1.205	50	20	DDGD	
O=C(O)CC[C@@H](NCc1ccc(B(O)O)cc1)c1ccccc1	1601972992	SMDSNJGGGUZJCG-MRXNPFEDSA-N	313.162	1.062	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@@H]1CCCc2n[nH]cc21	1602230017	ATYDXTSNSRQEKX-MRVPVSSYSA-N	318.308	1.810	50	20	DDGD	
CCCCNC(=O)NN=C(C)c1ccccc1OCC(=O)O	1605282956	GEQOFEVYQCPVKG-UHFFFAOYSA-N	307.350	1.973	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)c1csc(C(=O)O)n1	1601561534	NBZSUIBAPUMIDM-UHFFFAOYSA-N	314.326	1.568	50	20	DDGD	
Cn1cc(C(=O)NN=C2CCC[C@@H](CCCC(=O)O)C2)nn1	1600930648	JLHDVGHRQZRARR-JTQLQIEISA-N	307.354	1.346	50	20	DDGD	
O=C(/C=C/COC1CCOCC1)NNc1ccccc1C(=O)O	1608282705	ZGGOVGILSZXOAP-ZZXKWVIFSA-N	320.345	1.580	50	20	DDGD	
O=C(CCl)N[C@H](C(=O)O)c1ccc(Br)cc1	1608324693	VSVPFQBYMVDSFK-VIFPVBQESA-N	306.543	1.930	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)c1cnn(C(F)F)c1	1601559208	NRIFBDVVRLQSJI-UHFFFAOYSA-N	314.223	1.872	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1c(C)csc1C(=O)O	1604919564	WDFRTXVEPBFHPE-LURJTMIESA-N	320.392	1.110	50	20	DDGD	
O=C(NCc1cnc(Cl)cn1)NNc1cccc(C(=O)O)c1	1608473809	QPMGYNBFLVBDHQ-UHFFFAOYSA-N	321.724	1.655	50	20	DDGD	
C[C@H]1CCn2ncc(C(=O)NNc3ccccc3C(=O)O)c2C1	1604768436	NWYSCMBYZVEAPQ-JTQLQIEISA-N	314.345	1.921	50	20	DDGD	
COc1ncccc1NC(=O)NNc1ncccc1C(=O)O	1604911625	GTWJTJLCSLJKHQ-UHFFFAOYSA-N	303.278	1.332	50	20	DDGD	
Cn1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1C(=O)O	1608107628	VBDVQRKSPKGKGT-UHFFFAOYSA-N	316.273	1.395	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@H]2CCCN2C2CC2)c1F	1610848313	CUULQKLEBPHDAM-GFCCVEGCSA-N	307.325	1.594	50	20	DDGD	
O=C(O)CCc1ccc(NC(=O)NN=c2cc[nH]cc2)cc1	1610778485	IKHKFKBTIFBPQC-UHFFFAOYSA-N	300.318	1.669	50	20	DDGD	
Cc1cc(NNC(=O)Cc2ccc(C(=O)O)cc2)nc(C)n1	1610475255	DGAAAAQBTLGBEF-UHFFFAOYSA-N	300.318	1.477	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)c(C)c1	1549317527	WOOATHRINFVYAX-JKSUJKDBSA-N	301.390	1.617	50	20	DDGD	
CN(C1(CO)CC1)S(=O)(=O)c1ccc(CCCl)cc1	831517429	QAPYMXXIBIHKFM-UHFFFAOYSA-N	303.811	1.613	50	20	DDGD	
O=C(O)c1cc(C(=O)NNc2ccc(C(F)(F)F)cn2)on1	1610810250	ZJSCWHYYOZCACK-UHFFFAOYSA-N	316.195	1.544	50	20	DDGD	
O=C(NN=Cc1cccnc1Cl)[C@@H]1CN2CCC[C@H]2CO1	1549321693	UWPJNQOJMPUZMH-RYUDHWBXSA-N	308.769	1.048	50	20	DDGD	
CC(C)[C@H]1C(=O)NCCN1C[C@@H](CBr)C1CC1	859136140	ZMQFVOURDLTOMK-NEPJUHHUSA-N	303.244	1.864	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)C[C@H](N)C(F)F	1578506249	IWNZMXJWMYLBJK-JTQLQIEISA-N	301.293	1.269	50	20	DDGD	
CC1CC(C(=O)NNC(=O)CCN)(c2cccc(Cl)c2)C1	1576584410	VWKPQXJCAFRAHA-UHFFFAOYSA-N	309.797	1.504	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)[C@@H](C)CN)cc1OC	1577471490	ZSMXNMYYHZKHSJ-NSHDSACASA-N	323.393	1.230	50	20	DDGD	
C[C@H](N)c1ccc(C(=O)NNC(=O)NCc2ccccc2)cc1	1576164096	GGSBAIXMIIAVFP-LBPRGKRZSA-N	312.373	1.851	50	20	DDGD	
C[C@H](CC(=O)O)NC(=O)NNC(=O)c1cccc2ccccc12	1589002614	WLOGIJDNOZIIFL-SNVBAGLBSA-N	315.329	1.647	50	20	DDGD	
Cc1n[nH]cc1C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1844774351	UNYDLOHLMPMGNK-SNVBAGLBSA-N	314.748	1.070	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H]1CC1(F)F)C2	1845165157	XWFLKTQAPTYBGQ-ZJUUUORDSA-N	320.767	1.862	50	20	DDGD	
O=C(NNc1ncccc1Cl)c1csc(-c2nn[nH]n2)c1	1593167478	IQDJGNZJDMTNHC-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
CCNc1ncc(C(=O)NNc2ccc(CC(=O)O)cc2)s1	1596507416	GXFQBJMURAIJLX-UHFFFAOYSA-N	320.374	1.959	50	20	DDGD	
COc1ncc(C(=O)NNc2cccc(F)c2C(=O)O)cn1	1599732707	GJBLJLPABNQHRZ-UHFFFAOYSA-N	306.253	1.079	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)N[C@@H]1C[C@H]2CCC[C@H]21	1593165122	VFEUGVVPXQTPOX-FBIMIBRVSA-N	314.353	1.076	50	20	DDGD	
COc1ccccc1NCC(=O)NNc1ccccc1C(=O)O	1599715925	NITQCOKYJSPJAM-UHFFFAOYSA-N	315.329	1.949	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(-c2nn[nH]n2)c1)C(F)(F)F	1591768342	JWLQNBHJBPRXOI-LURJTMIESA-N	315.259	1.444	50	20	DDGD	
COc1ccc(NNC(=O)/C=C\c2cc(C(=O)O)co2)nc1	1599597127	IXRNHCRBNWRIMD-HYXAFXHYSA-N	303.274	1.538	50	20	DDGD	
CO[C@@](C)(C(=O)O)C(=O)NNc1ccc(C(F)(F)F)cc1	1593926606	LFSWXVOPOBHNHE-LLVKDONJSA-N	306.240	1.638	50	20	DDGD	
C[C@H]1C(=NNC(=O)c2ccc(O)nn2)CC[C@@H](C(=O)O)C1(C)C	1776047695	BQXCMDRBNAEBFH-IUCAKERBSA-N	320.349	1.425	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cc(C(=O)O)ccc1OC	1776118257	XVJWHVTWXASGNF-XYOKQWHBSA-N	304.302	1.063	50	20	DDGD	
O=C(NN=C1CC[C@@H](C(=O)O)c2ccccc21)c1ccnnc1	1776081547	UFCJETQIFPSOIC-CYBMUJFWSA-N	310.313	1.573	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)c1cccs1	15908405	FTOULDAPKXYXPV-UHFFFAOYSA-N	320.370	1.987	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc3c(s2)CCC3)cn1	17446210	FCZIRTCRONBZSH-UHFFFAOYSA-N	317.370	1.715	50	20	DDGD	
O=C(NNc1ncccn1)N[C@H]1[C@H]2CCO[C@@H]2C12CCCC2	162869218	NJBJEAVQSAOTQF-WOPDTQHZSA-N	303.366	1.450	50	20	DDGD	
COC(=O)NNC(=O)Cc1cc(F)ccc1Br	158892755	LTQKLYFIWQKMOG-UHFFFAOYSA-N	305.103	1.518	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1cccc([N+](=O)[O-])c1)C1CCCC1	151495256	RKIWJDOYWQNFHZ-AWEZNQCLSA-N	320.349	1.733	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)c1cc2ccccc2o1)N(C)C	156673509	WWWQKPDOEZKFOA-AWEZNQCLSA-N	303.362	1.780	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)OC(C)(C)C)c(F)cc1F	154817566	GVTVSMDTNAZTQM-UHFFFAOYSA-N	322.333	1.991	50	20	DDGD	
O=C(NC1CC1)[C@H]1CCCN1CCI	190889434	IOQOIKBDIQEPKS-SECBINFHSA-N	308.163	1.164	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)CCc1ccon1	862288062	CSIVJVKWNAQICH-UHFFFAOYSA-N	303.318	1.907	50	20	DDGD	
CN(CCc1ccccc1)CC(=O)NNC(=O)c1ccccc1	53047775	UTULANQFWQKEOY-UHFFFAOYSA-N	311.385	1.622	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)c1cccc(C#N)c1)c1ccccc1	106651577	XORUDELFFNXFGH-SFHVURJKSA-N	323.352	1.881	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2scnc2C)cc1	105067188	CWBCUUJFWFJALP-UHFFFAOYSA-N	318.358	1.160	50	20	DDGD	
CN(C)N(C(=O)CC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1	106602208	MQOMFKQSPGIALW-CYBMUJFWSA-N	300.424	1.369	50	20	DDGD	
COc1ccnc(NNC(=O)NCCc2ccc(Cl)nc2)n1	119313544	WTQAGLKJLHRRHR-UHFFFAOYSA-N	322.756	1.402	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)Cc1cccnc1)N1CCCCC1	104415484	KELTXYPRDXSIFF-INIZCTEOSA-N	318.421	1.282	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccc(F)nc2)cc1	173626652	QLEZYWZBKMGMRC-UHFFFAOYSA-N	303.293	1.369	50	20	DDGD	
O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CCOC1	103523033	KLCQXSFUKIFVDG-MRVPVSSYSA-N	320.317	1.163	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)n1cnc2ccccc21	110758271	WGXKNDQGELHCOY-JTQLQIEISA-N	312.333	1.090	50	20	DDGD	
O=C(CCCOCc1ccccc1)NNC(=O)NCC1CC1	50612543	QSFWZUIUNLXFKH-UHFFFAOYSA-N	305.378	1.724	50	20	DDGD	
Cc1ccc(NNC(=O)NCCc2ccc([N+](=O)[O-])cc2)nn1	106265632	BMOZAWLONBXYRE-UHFFFAOYSA-N	316.321	1.562	50	20	DDGD	
CCc1nc(CC(=O)NNC(=O)c2ccccc2OC)cs1	67434645	XAKQLARWPYTCHU-UHFFFAOYSA-N	319.386	1.718	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)[C@H]2CCCN2S(C)(=O)=O)c1	177377238	JAHODMGSLAOIKR-GFCCVEGCSA-N	315.370	1.001	50	20	DDGD	
Cc1ccc(-n2cc(C(=O)NNc3nc(C)cc(C)n3)nn2)cc1	33240203	HXLZQMZDOZPNCN-UHFFFAOYSA-N	323.360	1.739	50	20	DDGD	
COCCOc1ccc(C(=O)NNc2cc(C)ncn2)cc1	172282492	IIGHBWIVAWYMEA-UHFFFAOYSA-N	302.334	1.567	50	20	DDGD	
C#CCCCNC(=O)NNC(=O)c1cccc(OC(F)F)c1	174087697	JGGHHBUGIFCCJH-UHFFFAOYSA-N	311.288	1.645	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)on1	27263809	LRAXLWQSGNNWME-UHFFFAOYSA-N	312.285	1.713	50	20	DDGD	
C#Cc1cccc(NC(=O)C(=O)NNc2ccc([N+](=O)[O-])cc2)c1	119113379	GAETZTLBKJVBJN-UHFFFAOYSA-N	324.296	1.658	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2ccc(F)cc2)c(O)c1	24302086	DMDFSKOQFXJLQE-UHFFFAOYSA-N	318.304	1.544	50	20	DDGD	
CCOCCCC(=O)NNC(=O)COc1ccccc1OC	63638912	RCAJYGBSOFOFEU-UHFFFAOYSA-N	310.350	1.038	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)NC(C)C)c1OC(F)F	63269529	IGRQLHIMRFAYAU-UHFFFAOYSA-N	317.292	1.649	50	20	DDGD	
Cc1csc([C@@H](NC(=O)NNC(=O)[C@@H]2CCCO2)C2CC2)n1	74666071	LYUPLOGPOWOTLT-QWRGUYRKSA-N	324.406	1.412	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H]2CCCO2)c1C	32261963	WUPJQZYQTYXMEF-TZMCWYRMSA-N	306.362	1.397	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)COC2CCCCC2)c1	128451940	UKBIHKXDZDNTRX-UHFFFAOYSA-N	319.405	1.863	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cc(=O)[nH]c2cc(F)ccc12	123367525	BRUMZSUYVFDWAB-UHFFFAOYSA-N	317.255	1.353	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)CCC(F)(F)F)c1	79314961	ZBXPZUPFLGSWPH-UHFFFAOYSA-N	303.284	1.856	50	20	DDGD	
Cc1ncsc1/C=C/C(=O)NNC(=O)Cc1ccccc1F	186476124	GTEWKJGUMOMKLM-VOTSOKGWSA-N	319.361	1.994	50	20	DDGD	
COC(=O)[C@H]1C[C@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	125943287	HXZMUMPUARNJLH-SFYZADRCSA-N	313.697	1.500	50	20	DDGD	
CCCCn1nccc1NC(=O)C(=O)NNc1cccc(F)c1	120944580	FGSCJLRDFYKFAW-UHFFFAOYSA-N	319.340	1.904	50	20	DDGD	
O=C(Cc1cccc(F)c1)NCC(=O)NNc1ccncc1	180479548	XAYVMGAGCDPBJS-UHFFFAOYSA-N	302.309	1.023	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)Cn1cc([N+](=O)[O-])ccc1=O	184383567	BSWFXXIADMSPEA-UHFFFAOYSA-N	320.280	1.347	50	20	DDGD	
CSC[C@H](CCO)NC(=O)/C(C#N)=C\c1ccc(F)cc1	183616036	CGFCKAZRRFLCAL-UNJUUPHPSA-N	308.378	1.963	50	20	DDGD	
COCCOc1cc(NC(=O)NNC(=O)OC)ccc1OC	44297531	LWUDJNDUBBAIBV-UHFFFAOYSA-N	313.310	1.113	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1	43453322	UXNROMFJQOPZOJ-UHFFFAOYSA-N	323.277	1.075	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccc(-n2cccn2)cc1	81016937	GKDXFMYCLJTDAO-UHFFFAOYSA-N	321.340	1.271	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@H]2COc3ccccc3C2)cc1	195398995	TYFAOKHISRWTAS-OAHLLOKOSA-N	321.336	1.571	50	20	DDGD	
COc1c(C(=O)NNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-]	149826476	UWGUGPSJEZPBSP-UHFFFAOYSA-N	311.294	1.773	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	146446795	BAFNEYLLYJDQLU-NXEZZACHSA-N	324.356	1.612	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cnc(C(C)C)s1	94121586	JYVGASBHRPYBSY-UHFFFAOYSA-N	318.493	1.738	50	20	DDGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCCCO)c1C	230029632	DRSCNXUCRRALQW-BPKVKKHESA-N	319.405	1.718	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cnn(Cc2ccccc2)c1	255385057	AAVXIDMNSHBHTK-SXGWCWSVSA-N	310.357	1.601	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@H]1CCCCO1	264568503	HHZQAPQXPCWAJI-LLVKDONJSA-N	307.350	1.208	50	20	DDGD	
COc1cccc(-c2cc(C(=O)NNC(=O)NC3CC3)[nH]n2)c1	268909921	YJQDRNGGYRYTSH-UHFFFAOYSA-N	315.333	1.192	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNC(=O)C1CCC1)c1cccs1	264712037	DUTJLTGVXLABBD-NSHDSACASA-N	310.423	1.481	50	20	DDGD	
Cn1ncc2c1CCC[C@@H]2NC(=O)NNC(=O)CC(C)(C)C	264050532	STNVUXCJSIUVOQ-NSHDSACASA-N	307.398	1.564	50	20	DDGD	
C[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	266886984	XUCNWPCRENBDPF-KCJUWKMLSA-N	322.321	1.433	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CCNC(=O)CC(C)C	265864661	FASGTXSKEMYKJV-UHFFFAOYSA-N	321.377	1.009	50	20	DDGD	
C[C@H]1CCC[C@@H]1NC(=O)NNC(=O)Cc1cn2ccccc2n1	266925311	DFRCQPDUCWELDV-AAEUAGOBSA-N	315.377	1.396	50	20	DDGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cc2n(n1)CCO2	365596132	RJRXWZLFSOABLP-UHFFFAOYSA-N	314.132	1.734	50	20	DDGD	
CCOC(=O)c1cc(NC(=O)NNC(=O)CC(C)(C)C)cn1C	273392711	DXFLMEXGTWGIQK-UHFFFAOYSA-N	324.381	1.791	50	20	DDGD	
CC(C)=CCCNC(=O)NNC(=O)COc1ccccc1F	276789332	IXTDURHAZYOUAM-UHFFFAOYSA-N	309.341	1.891	50	20	DDGD	
CCOC1CC(CCNC(=O)NNC(=O)c2cccc(C)n2)C1	279968686	QBOAXAZXFGSWFC-UHFFFAOYSA-N	320.393	1.539	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CC[C@@H]3OCCC[C@H]3C2)n1	366288453	UXJIEXCESIGSMI-JSGCOSHPSA-N	318.377	1.245	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](C)C2=CCN(C)CC2)s1	273064205	YSJRVAZUHWYIIQ-NSHDSACASA-N	322.434	1.651	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(C2CCOCC2)C[C@H]1C	279199116	LKDJIWPUEQBFSQ-MNWMYKRDSA-N	307.394	1.142	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2O)CCO1	271779945	JVPZKQBEZSMOCE-FZMZJTMJSA-N	321.377	1.540	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccc(-n2cccn2)nc1	273482580	LLZQHIIYKAGZOG-UHFFFAOYSA-N	300.322	1.220	50	20	DDGD	
C=C(CBr)CN1CCSC[C@H]1CC(=O)OC	279760162	RINFYWYUJJDTFP-SNVBAGLBSA-N	308.241	1.918	50	20	DDGD	
CCc1nn(C)cc1NC(=O)C(=O)NNc1ccc(C)cc1	275796060	XWFIYFLXBFFTLL-UHFFFAOYSA-N	301.350	1.373	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC2CN(C(C)C)C2)cc(C#N)n1C	275259978	REMMTISWPZIWOF-LHHJGKSTSA-N	311.389	1.321	50	20	DDGD	
CCCC(=O)N1CCC[C@H](C(=O)NNc2ncccc2F)C1	285884441	GNMVCIIHTHVWEA-NSHDSACASA-N	308.357	1.703	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2	377177227	ZHQBHXIFZHDVPX-VDQHWBOFSA-N	308.422	1.901	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1cccnc1N1CCCC1	286364468	DRERTCVNDAZZMQ-UHFFFAOYSA-N	301.325	1.973	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)c1cccc(N(C)C)c1	280292359	OWCODCGUTBHQLO-VXGBXAGGSA-N	317.389	1.519	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1nccnc1C1CCC1	287258526	RNUJZHLVFYYECD-UHFFFAOYSA-N	307.354	1.323	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cccc(C)c1C#N	285101770	HFEAGVNDOGFXNT-UHFFFAOYSA-N	309.416	1.933	50	20	DDGD	
COCC1(CNC(=O)NNC(=O)c2ccccc2F)CCC1	283634880	VZUJAMGAHCXUMG-UHFFFAOYSA-N	309.341	1.586	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H](C)Oc1cccc(C(C)=O)c1	281156494	HVLMNOPMSBDRJM-NSHDSACASA-N	321.402	1.338	50	20	DDGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNc2nc3ccccn3n2)C1	281891253	PIEBGLDPIAREHK-VXGBXAGGSA-N	303.366	1.768	50	20	DDGD	
O=C(/C=C/c1ccc2c(c1)CCO2)NNC(=O)[C@H]1CCCCO1	295816762	XOCMHEKFYXBHMN-KEDPEKRHSA-N	316.357	1.351	50	20	DDGD	
CSSCCNC(=O)NCCCOC[C@H]1CCCO1	806337432	BRLMQUASOLSEOP-LLVKDONJSA-N	308.469	1.883	50	20	DDGD	
CC1=CC(Cl)=C/C(=C(/C)NNC(=O)C[n+]2ccccc2)C1=O	807944501	DDUBUUJKARILSL-UHFFFAOYSA-O	318.784	1.521	50	20	DDGD	
O=C(NN=Cc1cc(F)ncc1F)[C@H]1COc2ccccc2O1	807945184	GXDOARXGWVXEIS-CYBMUJFWSA-N	319.267	1.650	50	20	DDGD	
O=C(CN1CCc2ccccc21)NNC(=O)NC1CCCCC1	299306721	BTFBZTYSMIWNNK-UHFFFAOYSA-N	316.405	1.712	50	20	DDGD	
Cn1ncc(C(=O)NNc2ncccc2F)c1-n1cccc1	804217252	VQIIJUCSOVMJTI-UHFFFAOYSA-N	300.297	1.502	50	20	DDGD	
Cc1nc2ccccc2c(C)c1C(=O)NNC(=O)C(C)(C)O	295167890	GDMFPEFNBXKWSZ-UHFFFAOYSA-N	301.346	1.384	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)NC1CCN(C2CCC2)CC1	297112761	QKFKOQGAZZEGTK-UHFFFAOYSA-N	324.816	1.773	50	20	DDGD	
C[C@H]1C[C@H](c2cccnc2)N(CC(=O)NNC(=O)C2CC2)C1	805749947	VJBXGCHSFUNPOH-SMDDNHRTSA-N	302.378	1.022	50	20	DDGD	
COc1cccc(OCC(=O)NNC(=O)Nc2ccccc2)c1	801988829	RXHWARZJUADQII-UHFFFAOYSA-N	315.329	1.927	50	20	DDGD	
COc1cccc(CO[C@@H](C)C(=O)NNc2ccncn2)c1	295325206	AKZAUYSQBVXPFU-NSHDSACASA-N	302.334	1.534	50	20	DDGD	
O=C1CC(C(=O)NNC(=O)c2ccccn2)(c2ccccc2)C1	809937341	NVICRAKSSCSMLV-UHFFFAOYSA-N	309.325	1.144	50	20	DDGD	
CCC[C@H](CC)NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	299346995	PNYIZWYRZYKSQT-FZMZJTMJSA-N	321.377	1.736	50	20	DDGD	
CC(C)(C)C(=O)NCCNC(=O)NNc1ncc(F)cc1F	297585160	IDCRWQHOHVDIRN-UHFFFAOYSA-N	315.324	1.148	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNC(=O)c1ccc[nH]1)c1ccsc1	298684036	YWHDRPIATMXZEZ-LBPRGKRZSA-N	321.406	1.323	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2snnc2C2CC2)c1	290518840	UHMOGKKJXIDASF-UHFFFAOYSA-N	318.358	1.959	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2nccnc2C(C)C)n1C	816504276	GQCCQQQQLAOTND-UHFFFAOYSA-N	317.349	1.482	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)Cn1ccc2ccccc21)C1CCC1	813443230	YWVHVEGIUCPTOY-KRWDZBQOSA-N	315.373	1.340	50	20	DDGD	
Cc1ccc(C2(C(=O)NNC(=O)N3CCOCC3)CCC2)cc1	819193766	LVOSUBLRWNLAJO-UHFFFAOYSA-N	317.389	1.490	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2ccc(C#N)c(F)c2)n1	810252023	FVKIECGACDSINY-UHFFFAOYSA-N	313.292	1.867	50	20	DDGD	
COc1ccn2c(C(=O)NNC(=O)NC3CCCC3)cnc2c1	819187382	IYKFJXYUTYNJFO-UHFFFAOYSA-N	317.349	1.230	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1ccc(O)c(O)c1	814953000	HPZUZLSAXUWBNO-UHFFFAOYSA-N	302.286	1.333	50	20	DDGD	
CC(=O)N/C(=C/c1cccs1)C(=O)NNC(=O)CC1CC1	817606603	OXTMOVCVZQLLSX-XYOKQWHBSA-N	307.375	1.173	50	20	DDGD	
Cn1nncc1NNC(=O)CCc1cnn(-c2ccccc2)c1	816771260	FIQRZEXWIRDERS-UHFFFAOYSA-N	311.349	1.077	50	20	DDGD	
Cc1c(NNC(=O)NCCc2cn[nH]c2)cccc1[N+](=O)[O-]	812523624	WPIXXDAXRAHWIW-UHFFFAOYSA-N	304.310	1.495	50	20	DDGD	
Cc1nc(CC(=O)NN=C2CC[C@H](C(=O)O)[C@@H](C)C2)cs1	814740471	UODONTLNDQSAAA-UFBFGSQYSA-N	309.391	1.987	50	20	DDGD	
COC(=O)c1ccc(Cl)c(C(=O)NNc2ncccn2)c1	810057630	IGWFDTNQGSSWQX-UHFFFAOYSA-N	306.709	1.674	50	20	DDGD	
O=C(NNC(=O)N1CCO[C@@H]2C[C@H]21)c1cccc2ccccc12	814305768	NHDCMDSMRRZUGP-HUUCEWRRSA-N	311.341	1.667	50	20	DDGD	
COC(=O)c1ccc(O)c(C=NNC(=O)NCc2ccco2)c1	726737234	MDHZWEWYIAXQFK-UHFFFAOYSA-N	317.301	1.605	50	20	DDGD	
CCCCCN1C(=O)C(=NNC(=O)CN(C)C)c2ccccc21	727649048	BROSZVLTEGQQNP-UHFFFAOYSA-N	316.405	1.605	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C[C@@H]2CC[C@H]3C[C@H]23)cc1	824037273	IAFTYERMTFENNT-HUBLWGQQSA-N	317.389	1.691	50	20	DDGD	
CN(CCO)c1ccc(C=NNC(=O)c2cccn2C)cc1	725846369	AVMBCVOTGZYQIR-UHFFFAOYSA-N	300.362	1.218	50	20	DDGD	
CN1CCCC[C@@H](C(=O)NNc2cnc3ccccc3n2)C1=O	821954251	GHNUMLMCWDQFDY-NSHDSACASA-N	313.361	1.331	50	20	DDGD	
CC(C)(C)OC(=O)N1CCN(CCN2CC=C(C#N)CC2)CC1	495992790	WHXAVGUHVYBBHI-UHFFFAOYSA-N	320.437	1.695	50	20	DDGD	
CCOC(=O)NNC(=O)c1cnc(OCC2CC2)c(Cl)c1	495301702	HQTLLUXYGHQTFV-UHFFFAOYSA-N	313.741	1.915	50	20	DDGD	
CN(C)c1cc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)ccn1	825875408	OKUHZBPOPNFTQA-UHFFFAOYSA-N	324.348	1.085	50	20	DDGD	
Cc1ccc(Br)cc1CC(=O)NNC(=O)C1CC1	822192416	LXTIJDINQMXIFZ-UHFFFAOYSA-N	311.179	1.857	50	20	DDGD	
Cc1nn(-c2ccccc2)cc1C(=O)NNC(=O)NCC1CC1	726529131	KEKCIDHEHOQTJI-UHFFFAOYSA-N	313.361	1.535	50	20	DDGD	
CCC/C(C)=C/C(=O)NNC(=O)COc1ccccc1OC	729297542	PROXZFZMJZVEIC-ZRDIBKRKSA-N	306.362	1.968	50	20	DDGD	
COC(=O)CCn1nc(C)c(C=NNC(=O)CC(C)C)c1C	727058763	FWVBTCDGHSRFJM-UHFFFAOYSA-N	308.382	1.559	50	20	DDGD	
CC(C)(NC(=O)O)C(=O)NNC(=O)c1ccc(Cl)cc1F	824025428	QKSJEMKZMTUUMP-UHFFFAOYSA-N	317.704	1.286	50	20	DDGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C\c2cnnn2C)cc1	490726059	NENFWYNKUUBWLO-WQLSENKSSA-N	324.344	1.063	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(NC(=O)OC)cc1Cl	823377305	QTEBOPMMZMZJKK-UHFFFAOYSA-N	315.757	1.477	50	20	DDGD	
COC(=O)NCCNC(=O)NNc1ccc(C(C)(C)C)cc1	496141079	XEHFRKQLLVSJSV-UHFFFAOYSA-N	308.382	1.966	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc2oc(S)nc2c1	823815407	GGRUOSTZBGSHDL-UHFFFAOYSA-N	324.362	1.097	50	20	DDGD	
CC[C@H](CC(C)C)C(=O)NNc1nccc(N2CCOCC2)n1	826966491	PJRZJVOBDBCSIZ-CYBMUJFWSA-N	321.425	1.829	50	20	DDGD	
Cc1ccc(C(=O)c2ccccc2C(=O)NCB(O)O)cc1C	585055640	FVPZCPOMPWNIKM-UHFFFAOYSA-N	311.146	1.276	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)Cc1csc(-c2cccs2)n1	823983000	IQNFYVOOOLRZDU-SECBINFHSA-N	311.432	1.758	50	20	DDGD	
O=C(NCc1ccco1)NN=Cc1nccn1CC(F)(F)F	727683817	AGRYBKQBVIQLEP-UHFFFAOYSA-N	315.255	1.872	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(C)c1	823474247	IDBWKVWRVVWKID-SMDDNHRTSA-N	306.362	1.119	50	20	DDGD	
CCC(CC)n1ccc(C(=O)Nc2cccc(B(O)O)c2)n1	584910630	CWBAQMPAEAVWRC-UHFFFAOYSA-N	301.155	1.176	50	20	DDGD	
O=C(NCB(O)O)c1ccc(-c2nc3ccccc3s2)s1	585055713	DGSUXWHKTXBVHD-UHFFFAOYSA-N	318.188	1.767	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)[C@H](C)Oc1ccccc1F	491624664	JQLPOCMWHFIVRS-LBPRGKRZSA-N	314.320	1.573	50	20	DDGD	
CCCCOc1ccc(NC(=O)NNC(=O)c2cc[nH]n2)cn1	822751301	PKGOFQARKXVEKI-UHFFFAOYSA-N	318.337	1.450	50	20	DDGD	
Cc1cc(NNC(=O)c2cccc(N3CCCC3)c2)nc(N)n1	828376086	FGNOORCMZZSPPB-UHFFFAOYSA-N	312.377	1.724	50	20	DDGD	
CS(=O)(=O)CCCCNC(=O)NNc1ccc(Cl)nc1	824748530	PNQWXVDOHPXEGI-UHFFFAOYSA-N	320.802	1.186	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)OC[C@H]2CNC(=O)O2)cc1	495715371	HIFRRNAWBWHGLZ-TUOYRWMMSA-N	302.286	1.254	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)NNc1ccc(OC(F)F)cc1	907094705	QPIADJWOKMHLQZ-LLVKDONJSA-N	313.304	1.742	50	20	DDGD	
CC(C)Oc1ccc(CCNCc2ccc(B(O)O)o2)cc1	585014385	PWNOSEHXMSXYPC-UHFFFAOYSA-N	303.167	1.079	50	20	DDGD	
O=C(NNC(=O)c1cc(Br)c[nH]1)NC1CCC1	738449799	FALUEGGGQPAHIU-UHFFFAOYSA-N	301.144	1.274	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCc1ccc(C(=O)O)cc1	739043099	MRZXIXDVYYXLRY-UHFFFAOYSA-N	315.329	1.117	50	20	DDGD	
CCN(CC)c1ncc(C=NNC(=O)c2c[nH]nc2C)s1	735411764	UCLATEOPRMQPJN-UHFFFAOYSA-N	306.395	1.785	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(c2cncc(F)c2)CC1	491137858	YCDPBANMRMBQMB-QXMHVHEDSA-N	304.325	1.313	50	20	DDGD	
C[C@@H]1[C@H](NCc2ccccc2B(O)O)CCN1Cc1ccccc1	585040213	CBCJLUVJFCPMIB-DNVCBOLYSA-N	324.233	1.119	50	20	DDGD	
CCN1CCCC[C@@H]1CNC(=O)/C(C#N)=C\c1cnn(C)c1	490976995	SCKMEHZRNDFJCR-CKNOQMABSA-N	301.394	1.318	50	20	DDGD	
O=C1CC[C@@H]2[C@H]1[C@@H]2C(=O)NNc1ccc(C(F)(F)F)nn1	907123939	NVDKRQHXMVRNAP-UAINPKIQSA-N	300.240	1.164	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)c1ccccc1	837411819	YRQMTMOZRJEDDP-SPWCGHHHSA-N	314.385	1.943	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CCCN(C)C(=O)OC	496578476	SYEBEDKOQDQITC-UHFFFAOYSA-N	323.349	1.395	50	20	DDGD	
COCCN(C)NC(=O)c1cc(C2CC2)nc(SC)c1C#N	837620749	AKWZUPRYFAASBS-UHFFFAOYSA-N	320.418	1.776	50	20	DDGD	
CC(C)n1cc([C@H](C)NC(=O)NNC(=O)[C@@H]2CCCCO2)cn1	836299269	OMWYLDYYPOBDQC-AAEUAGOBSA-N	323.397	1.425	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)ccc1N(C)C	831223626	DQQVUZPQSJACPH-AAEUAGOBSA-N	320.393	1.639	50	20	DDGD	
Cc1noc(-c2ccc(NC(=O)NNC(=O)C3CCC3)cn2)n1	836735651	OPGKCXNOOKLDJL-UHFFFAOYSA-N	316.321	1.393	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2C[C@@H](OC)C23CCC3)n1	838763489	CXGWMXGGSSGQFG-VHSXEESVSA-N	307.354	1.069	50	20	DDGD	
CC(C)[C@@H](Cc1ccc(F)cc1)NCc1ccc(B(O)O)o1	585026806	KHJBRWDBTMRPHB-OAHLLOKOSA-N	305.158	1.455	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1Cl)NC1CN(C(=O)O)C1	833148748	QWPXGDFGGXTCKN-UHFFFAOYSA-N	319.148	1.982	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1cnc(NC2CC2)s1	907407403	LUFNWLBBDUOXCH-UHFFFAOYSA-N	309.782	1.945	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCOc1ccccc1	906458639	FBLWUPCJFNMETH-HOCLYGCPSA-N	318.373	1.584	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1ncc(-c2ccccc2)o1	731280875	GAMZEVDMXYNUJR-UHFFFAOYSA-N	318.333	1.209	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2ccc(C(=O)OC)cc2F)CC1	837209530	NLJQANGWGLSNCD-UHFFFAOYSA-N	324.308	1.399	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCCCCc2ccccc21	584952874	PORITNLTOFJHSV-UHFFFAOYSA-N	309.174	1.740	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCC(OC2CCCC2)CC1	834972951	IEXCPUGFIRRAMG-UHFFFAOYSA-N	311.382	1.716	50	20	DDGD	
Cc1cc([C@@H](C)NC(=O)c2ccc(B(O)O)c(F)c2)c(C)o1	584939472	MQWLUKSZIMODIF-SECBINFHSA-N	305.114	1.206	50	20	DDGD	
C#CCCCC(=O)NN=Cc1cnc(N2CCOCC2)s1	901324590	UUMTWSHYCQXLJS-UHFFFAOYSA-N	306.391	1.233	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)Cc1ccccc1C)C1CC1	836491367	SUILMWLURCFUAC-AWEZNQCLSA-N	305.378	1.293	50	20	DDGD	
O=C(N1CC[C@@H](B(O)O)C1)C1(c2c(F)cccc2F)CCC1	585063807	HOJMSOLGJAXWDN-SNVBAGLBSA-N	309.121	1.462	50	20	DDGD	
CC(C)(O)[C@@H](Oc1ccccc1)C(=O)NNc1ccnc(F)c1	831917587	ILRITHGSQFIOSH-AWEZNQCLSA-N	319.336	1.882	50	20	DDGD	
CCCCOc1ncccc1CNCc1cccc(B(O)O)c1	585019322	JGKZAWALOUDMLB-UHFFFAOYSA-N	314.194	1.230	50	20	DDGD	
CCCC(=O)OCC(=O)NNC(=O)c1cc(C)c(CC)s1	736740669	YNYLFKBMYSOGED-UHFFFAOYSA-N	312.391	1.723	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H]2CC[C@@H](C)O2)c1	838745917	QZFARFWPPONBBM-MFKMUULPSA-N	307.350	1.667	50	20	DDGD	
C=CCC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1	735613283	YFWDAROXPCYWMK-LBPRGKRZSA-N	324.377	1.657	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccnn1-c1ccccn1	836697281	SHQQPILHQISUEI-UHFFFAOYSA-N	302.338	1.466	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1cc(F)ccc1O	916364667	RZHVTEQGHJROSB-NSHDSACASA-N	323.368	1.340	50	20	DDGD	
O=C(NNc1cc(O)nc2ncccc12)[C@@H]1C[C@H]2CC[C@H]1O2	913992941	MKCLPDUKOZXDMA-HLUHBDAQSA-N	300.318	1.346	50	20	DDGD	
COC[C@@H]1CCCCN1CC(=O)NNC(=O)c1ccc(C)cc1	832605896	VMVXLFNGTLFFMJ-HNNXBMFYSA-N	319.405	1.257	50	20	DDGD	
N#Cc1ccc(C(=O)NN=Cc2ccc(-n3cncn3)cc2)cc1	747051545	RRVLVBIVAXAHLT-UHFFFAOYSA-N	316.324	1.903	50	20	DDGD	
COc1ccccc1CC(=O)NN=C[C@H](OC)C1CCOCC1	834943818	CSJLKBSEUBXFIP-INIZCTEOSA-N	320.389	1.781	50	20	DDGD	
CC(C)S(=O)(=O)CC(=O)NNC(=O)c1cc2ccccc2o1	749472831	TZEDMFQIJZJZOT-UHFFFAOYSA-N	324.358	1.017	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2cnccc2C)c1	743295332	JJWWIFHBHVPPOF-UHFFFAOYSA-N	314.345	1.272	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2ccc(S(N)(=O)=O)s2)c1	748048112	DXAPEUHEQKIRGK-UHFFFAOYSA-N	322.371	1.024	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=S)NC(C)(C)C	849167398	BQQATAZVMGRFOP-JOYOIKCWSA-N	323.418	1.509	50	20	DDGD	
O=C(CC1CC1)NNC(=S)Nc1ccc2c(c1)OCCO2	840764995	ZONXQRKDPAFNQL-UHFFFAOYSA-N	307.375	1.576	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@H](CC1CC1)NC(=O)OC(C)(C)C	911445583	YRZAETJYGXWGOJ-JQWIXIFHSA-N	315.414	1.024	50	20	DDGD	
Cc1nnc(NNC(=O)c2cnc3ccsc3c2)nc1O	743295407	KVNALQMWUNWRLT-UHFFFAOYSA-N	302.319	1.252	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cc2ccccc2oc1=O	918365554	DFRSYHHBIYCUAI-UHFFFAOYSA-N	314.219	1.506	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H]1CCCN1Cc1ccc(F)cc1	747353622	WJQGLXJGVGKMEK-OAHLLOKOSA-N	321.396	1.984	50	20	DDGD	
Cc1cc(OC(=O)CCCN2C(=O)CCC2=O)ccc1[N+](=O)[O-]	917027691	GSBHILCSGGEYDQ-UHFFFAOYSA-N	320.301	1.738	50	20	DDGD	
COc1ccc2cc(C(=O)NNc3nccc(OC)n3)[nH]c2c1	914763610	XJQLZKXFDFJYOJ-UHFFFAOYSA-N	313.317	1.732	50	20	DDGD	
O=C(CCOc1ccccc1)NN=Cc1ccc(C(=O)O)[nH]1	749814937	HSHNLAHKUHQVLS-UHFFFAOYSA-N	301.302	1.632	50	20	DDGD	
Cn1c(CC(=O)NN=C2COC(C)(C)C2)nc2ccccc21	841609916	GLLBBLDWIRCHFD-UHFFFAOYSA-N	300.362	1.787	50	20	DDGD	
CN(C)c1nccc(NNC(=O)COc2ccccc2Cl)n1	740102527	LDSSCBLODIHVIO-UHFFFAOYSA-N	321.768	1.718	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=S)NCC1CC1	849252709	HRJXAKZSYAXKOB-SECBINFHSA-N	311.382	1.498	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc2c1CN(C)C2=O	841734116	FOHRHKSOVFDIQV-SECBINFHSA-N	304.350	1.471	50	20	DDGD	
CCC[C@H](CC)S(=O)(=O)NNC(=O)c1cccc(Cl)n1	849312650	IQXARBSDWSOLIU-VIFPVBQESA-N	319.814	1.878	50	20	DDGD	
COc1ccc(NCC(=O)NN=Cc2cc(C)n(C)n2)cc1	841602631	HGMOOBZUANQZEP-UHFFFAOYSA-N	301.350	1.299	50	20	DDGD	
NC(=O)[C@H]1CC[C@H]1C(=O)NNc1ccc(OC(F)(F)F)cc1	847600658	WAPQYDNACHSLRR-VHSXEESVSA-N	317.267	1.540	50	20	DDGD	
CO[C@]1(C=NNC(=O)[C@H](C)Oc2ccccc2F)CCOC1	841612607	LXQRTPOQGHRFBZ-NHYWBVRUSA-N	310.325	1.501	50	20	DDGD	
CC(=O)Nc1ccc(SCC(=O)NNC(=O)C(C)(C)C)cc1	917180237	QVIRPIDFZIOKOM-UHFFFAOYSA-N	323.418	1.931	50	20	DDGD	
CC1CCN(S(=O)(=O)c2ccc(NC(=O)NN)cc2)CC1	841011959	UDZYWYWXQQOVKC-UHFFFAOYSA-N	312.395	1.102	50	20	DDGD	
CN(C)C(=O)NN=C1C(=O)Nc2cc(Br)ccc21	745613154	MRYMWUICUWTYLI-UHFFFAOYSA-N	311.139	1.377	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](CN)C1CCCCC1	841938782	BCWUWZXONZYUMT-OAHLLOKOSA-N	318.421	1.847	50	20	DDGD	
COCC1CCC(NC(=O)NNc2ccc(Cl)nn2)CC1	840443952	PPRFVGFIBIZZFA-UHFFFAOYSA-N	313.789	1.961	50	20	DDGD	
CCn1ncnc1C=NNC(=O)COc1cc(C)cc(C)c1	848400685	MVSBTVCTXOCOKJ-UHFFFAOYSA-N	301.350	1.444	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2ncncc2C1)Nc1ccccc1	843880125	JJZSSZWNRBOWRY-NSHDSACASA-N	311.345	1.434	50	20	DDGD	
CC[C@H]1CN(C)CCCN1C(=O)/C(C#N)=C/c1cnn(C)c1	846990225	XOUFNAKOQHEUEO-NHXNDTTKSA-N	301.394	1.270	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1(Cc2ccccc2)CC1	843652615	KFBNXSAKANASOM-GXTWGEPZSA-N	302.374	1.582	50	20	DDGD	
Cn1c(NNC(=O)[C@@H]2C[C@H]2C2CCC2)nc2ccccc2c1=O	845511160	MRBORSGBYJTFOH-QWHCGFSZSA-N	312.373	1.813	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1(c2cccc(Cl)c2)CC1	843645532	RNKDDYMRMOHYAQ-GXFFZTMASA-N	322.792	1.944	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2(OC)CCCC2)cc1OC	754163448	OKHXSQPZMWQKNP-UHFFFAOYSA-N	322.361	1.424	50	20	DDGD	
CNc1nnc(CC(=O)NNc2oc(C(C)C)nc2C#N)s1	759670164	YFRUEGJXOLYNDR-UHFFFAOYSA-N	321.366	1.249	50	20	DDGD	
CSSCCN1C(=O)N[C@H](Cc2ccccc2O)C1=O	925343096	LLKFQFUUVDIIBV-SNVBAGLBSA-N	312.416	1.866	50	20	DDGD	
Cc1ocnc1CNC(=O)NC[C@]1(C)C[C@H]1Br	856845311	NGQYNQPMHSDHLO-KOLCDFICSA-N	302.172	1.956	50	20	DDGD	
CC(C)(C)OCCCNC(=O)NNC(=O)c1cccc(F)n1	852550519	JKQPNHBINYYLIH-UHFFFAOYSA-N	312.345	1.370	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cn(C2CC2)nn1	859054158	VADUQTDOVSQIGN-UHFFFAOYSA-N	304.262	1.749	50	20	DDGD	
CC(C)N1CCC(NC(=O)NNC(=O)c2cccc(F)n2)CC1	851923538	RYYWCMJIJBRPEC-UHFFFAOYSA-N	323.372	1.038	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)C1(C#N)CCCC1	855829800	RNCJDXQNZFEKTD-UHFFFAOYSA-N	322.409	1.160	50	20	DDGD	
CC[C@@H](C)CC[C@@H](O)CC(=O)NNC(=O)C1CCOCC1	923058864	MQSGLGPJSDKIEX-DGCLKSJQSA-N	300.399	1.138	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@H]2C=NNC(=O)c2ccncc2)cn1	853255057	QNYYABFUCIFENK-DZGCQCFKSA-N	313.361	1.791	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC12CCC2)[C@H]1COc2ccccc2O1	759691255	VGIRRNVHNVSKHL-GXFFZTMASA-N	302.330	1.164	50	20	DDGD	
COc1c(F)cc(F)cc1NC(=O)NNC(=O)c1cccnc1	757686590	JCTIFEFMRXOQBX-UHFFFAOYSA-N	322.271	1.835	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	859198884	HXGZJQATCBPIBV-BHYGNILZSA-N	307.353	1.357	50	20	DDGD	
CCN(CC)CCSCC(=O)NNc1ccc(C#N)cn1	924817727	LUOSZVXXEXDBPX-UHFFFAOYSA-N	307.423	1.471	50	20	DDGD	
CN(C)C1(CNC(=O)NC[C@@]2(C)C[C@H]2Br)CCC1	856848018	BLCHFXKAOFBABD-ZYHUDNBSSA-N	318.259	1.943	50	20	DDGD	
CC1C[C@@H]2CC[C@H](C1)N2CC(=O)NNC(=O)c1ccccc1	852699931	GXWPJPRKKFBWBQ-LQDVMPOASA-N	301.390	1.711	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H](C)CC(=O)c1ccc(Cl)cc1	759369229	IJEDUTGHIJVVHO-SECBINFHSA-N	311.769	1.899	50	20	DDGD	
C[C@@H]1CC(=O)NCCN1C(=O)/C(C#N)=C/c1ccc(F)cc1	752467058	MRICPVQHJIZZMI-VSXLWIIGSA-N	301.321	1.470	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	755337182	BXOAOOIIWHBQNI-UHFFFAOYSA-N	302.338	1.251	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cnc(Br)c(C)c1	935909287	WFBNSZPMVGRFDS-UHFFFAOYSA-N	302.128	1.496	50	20	DDGD	
CSCCNC(=S)NNC(=O)COc1ccccc1C	752729722	AXVGGGKCHLAEHZ-UHFFFAOYSA-N	313.448	1.232	50	20	DDGD	
COc1cccc(OC)c1C=NNC(=O)c1sc(N)nc1C	755630456	CXULTVDPLGAGER-UHFFFAOYSA-N	320.374	1.815	50	20	DDGD	
CC(=O)c1ccc(CC(=O)NNC(=O)c2ccc(C)o2)cc1	752781333	VGXJNRSKANGIHZ-UHFFFAOYSA-N	300.314	1.794	50	20	DDGD	
C#CCC[C@H](O)CNC(=O)NC[C@]1(C)C[C@@H]1Br	856959650	WJUICUFDHVYUGS-NHCYSSNCSA-N	303.200	1.233	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=S)NCC2CCC2)CCC1	855090783	PBWYBRUWULYUNR-UHFFFAOYSA-N	313.423	1.015	50	20	DDGD	
Cn1cncc1C=NNC(=O)c1cc(-c2cccs2)[nH]n1	755790558	NEBLPBWHHQZATB-UHFFFAOYSA-N	300.347	1.636	50	20	DDGD	
Cc1cccc(NNC(=O)C2CN(C(=O)OC(C)(C)C)C2)n1	862520835	CWJNEEBBUJIKBA-UHFFFAOYSA-N	306.366	1.700	50	20	DDGD	
Cc1n[nH]cc1CNC(=O)NNC(=O)c1cc2ccccc2o1	768234322	SQWKNVDEIPNEGQ-UHFFFAOYSA-N	313.317	1.609	50	20	DDGD	
CCCNC(=O)NNC(=O)c1nc(C)ccc1Br	930791545	PITWSUMTGGJPLE-UHFFFAOYSA-N	315.171	1.507	50	20	DDGD	
C[C@H]1CN(C(=O)OC(C)(C)C)CC1=NNC(=O)c1cnn(C)c1	863094540	VJEPTWIGTRFAOW-JTQLQIEISA-N	321.381	1.393	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](O)c2ccccc2Cl)o1	765140883	BENBGWCFFLOPQB-GFCCVEGCSA-N	308.721	1.736	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N[C@H]2CCC(F)(F)C2)cc1	763604052	LLXFVTCDSMIAKI-NSHDSACASA-N	308.288	1.690	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(C2CCOCC2)nn1C	861517513	LTIJJMADWLYNMN-UHFFFAOYSA-N	311.342	1.097	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H]1CCN1C1CCCC1	862465687	CHHKWAFJYYUXCT-OAHLLOKOSA-N	301.390	1.773	50	20	DDGD	
COc1cccc(C(C)(C)C(=O)NNc2nccc(OC)n2)c1	864823803	UBUFBZYQIRJUKU-UHFFFAOYSA-N	316.361	1.915	50	20	DDGD	
Cc1cc(NNC(=O)c2ccnc(Br)c2)ncn1	762806337	QGWLPBAHYGFXHJ-UHFFFAOYSA-N	308.139	1.699	50	20	DDGD	
CS[C@@H](C(=O)NNC(=O)Cc1cc(C)[nH]n1)c1ccccc1	869014170	OZUXYDZJGDISDL-CQSZACIVSA-N	318.402	1.512	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1ccc(C(C)(C)O)cc1	767360052	JTNAQPLRPRHQHX-UHFFFAOYSA-N	303.362	1.033	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H](C)Cc2cnc[nH]2)ccc1C	863918828	MYLFSNQGODANAU-NSHDSACASA-N	316.361	1.827	50	20	DDGD	
C[C@@H](NNC(=O)C[C@@H]1Oc2ccccc2NC1=O)C(F)(F)F	862304847	GBBNLUHSCJQOAU-XCBNKYQSSA-N	317.267	1.348	50	20	DDGD	
COCC(=O)NN=C(C)c1ccc(Br)cc1O	761818117	RHNIEZZGDFGPAY-UHFFFAOYSA-N	301.140	1.641	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cccc([C@H]2CCOC2)c1	761681548	INSWXYVLHKYOTG-ZDUSSCGKSA-N	314.345	1.297	50	20	DDGD	
COc1ccc(NC(=O)NNc2nccnc2OC)c(C)n1	764678660	NKTBJPRXJAVPFI-UHFFFAOYSA-N	304.310	1.346	50	20	DDGD	
Cc1noc(C)c1C(=O)NNC(=O)CSc1ccccc1O	764046659	JUFYBUQRVAWMHY-UHFFFAOYSA-N	321.358	1.550	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)cc[nH]1	875398409	LJHBYALLQGZAMA-HIFRSBDPSA-N	322.434	1.493	50	20	DDGD	
CCCn1cc(C=NNC(=O)c2cn(C)c3ccccc23)nn1	872338396	HGXXDYWRMUWDQK-UHFFFAOYSA-N	310.361	1.944	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccnn1Cc1ccc(F)cc1	779459023	SQLJKHLPBYRIRW-UHFFFAOYSA-N	319.340	1.879	50	20	DDGD	
CSCCNC(=O)NNc1cccc(S(C)(=O)=O)c1	776619484	SINLIGJTXYHJGW-UHFFFAOYSA-N	303.409	1.079	50	20	DDGD	
COCCn1ncc2ccc(NC(=O)NN(C)C(=O)OC)cc21	878495141	ODODABDUFGKXFE-UHFFFAOYSA-N	321.337	1.417	50	20	DDGD	
C[C@H](NC(=O)CCl)c1cc(F)ccc1N1CCN(C)CC1	1116437858	QXXPWCBVSMTKTQ-NSHDSACASA-N	313.804	1.994	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)NCC2CC=CC2)c1	875798228	PEXIKXCBGHSAPS-UHFFFAOYSA-N	309.391	1.682	50	20	DDGD	
CCN(CC)[C@@H](CNC(=O)NN(C)C(=O)OC)c1ccccc1	875004896	XRFBWHZYDTXDQQ-AWEZNQCLSA-N	322.409	1.982	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)C(=O)Nc1ccccn1	775397165	QWPGAFLXJJFJOU-UHFFFAOYSA-N	313.317	1.181	50	20	DDGD	
COCC[C@H](NC(=O)CCCC[C@@H]1CCSS1)C(N)=O	775975798	KVWGUEKPCAOWPX-MNOVXSKESA-N	320.480	1.707	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NN=c2cc[nH]c(C)c2)[C@@]12CCCO2	875489943	PVSDRPMDWNGELF-LZWOXQAQSA-N	320.393	1.165	50	20	DDGD	
O=C(NNc1c(F)cccc1Cl)[C@@H]1CN2CCCN1CC2	771673962	JTJVJCVSPAZHGH-LBPRGKRZSA-N	312.776	1.312	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1cccnc1OC	773641897	SCIBOMNZBWZCOH-UHFFFAOYSA-N	319.292	1.773	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)OCC(=O)NNC(=O)c2cccs2)C1	776424605	PFPNJVWQCAFGPI-VHSXEESVSA-N	310.375	1.489	50	20	DDGD	
Cc1cnccc1C(=O)NNc1ccccc1S(C)(=O)=O	771416277	OUZFWZKCJBUWCB-UHFFFAOYSA-N	305.359	1.550	50	20	DDGD	
CC(C)(C)[C@H](NC(N)=O)C(=O)NNc1c(F)cc(F)cc1F	885153812	QQGGJBFOUKNFOZ-SNVBAGLBSA-N	318.299	1.630	50	20	DDGD	
CC(C)/C=C/c1cn([C@H](C)C(=O)NNC(=O)CC(C)C)nn1	881291429	PPCPNXZRDGTBJK-NNNHXZLVSA-N	307.398	1.702	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC[C@H](Cc2nc(C)no2)C1	887637537	VKKRENIPBSSBOL-YGYTWAPGSA-N	304.350	1.603	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccnn1-c1ccc(F)cc1	880697132	JRIOLTRSUFMIQL-UHFFFAOYSA-N	307.329	1.626	50	20	DDGD	
C#CC1CCN(c2nnnn2C[C@]2(C)C[C@H]2Br)CC1	1120324957	PUORPGJNQSHUGM-YPMHNXCESA-N	324.226	1.696	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H]2COc3ccccc3O2)sn1	785449883	PZBOTKSLSAIVQX-ZDUSSCGKSA-N	303.343	1.742	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@H]1CCS(=O)(=O)C1	781068849	QPTJXKPLBGPHBY-YUMQZZPRSA-N	312.229	1.099	50	20	DDGD	
COc1cc(NNC(=O)C(=O)Nc2cc(C)on2)ccc1Cl	789798477	YUYIIDNQXQALMN-UHFFFAOYSA-N	324.724	1.727	50	20	DDGD	
CCc1ncoc1C(=O)NNC(=O)CCc1ccc(OC)cc1	1120647504	DBEKVIHQZNMMGW-UHFFFAOYSA-N	317.345	1.639	50	20	DDGD	
Cn1ccc2cccc(NC(=O)C(=O)NNC(=O)C3CCC3)c21	788332994	JRIFUEOPMKQTCQ-UHFFFAOYSA-N	314.345	1.064	50	20	DDGD	
COc1ccc(OCC(=O)NNc2ncncc2Cl)cc1	781820713	ZGRGYZJXIVATAA-UHFFFAOYSA-N	308.725	1.661	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2CCN(C(C)=O)CC2)c1	780791421	JYQQHLXJOZSCFC-UHFFFAOYSA-N	319.361	1.175	50	20	DDGD	
C[C@@H]1CCCN1CCNC(=O)NC[C@]1(C)C[C@@H]1Br	895921118	BBEZSXCEAAAFOA-MDZLAQPJSA-N	318.259	1.943	50	20	DDGD	
CC(C)[C@H]1OCCC[C@H]1CNS(=O)(=O)CBr	782468972	RDNPBLUCDRPICM-VHSXEESVSA-N	314.245	1.709	50	20	DDGD	
CC1(C)CC(CNC(=O)NNC(=O)COCc2ccccc2)C1	780878714	YRLYTFOVYLJDBL-UHFFFAOYSA-N	319.405	1.970	50	20	DDGD	
Cc1cc(NNC(=O)CC2OCCO2)ccc1Br	793712462	UVYRYAHDBHYVNL-UHFFFAOYSA-N	315.167	1.964	50	20	DDGD	
CSSCCNC(=O)NCC(C)(C)S(C)(=O)=O	790763467	UYLKZVFTXJXDOS-UHFFFAOYSA-N	300.471	1.120	50	20	DDGD	
COC(=O)C[C@@H]1CCC(=NNC(=O)c2ccc(N)cc2)[C@@H]1C	794453128	KSIPCYCKQIAVPI-PWSUYJOCSA-N	303.362	1.964	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2cc(F)cc(Cl)c2)C(=O)O1	896371693	LVXFDLNHKRYQOQ-LHLIQPBNSA-N	301.705	1.809	50	20	DDGD	
CCCC=NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1	793106325	QVSFTTODFVKYIO-UHFFFAOYSA-N	323.418	1.987	50	20	DDGD	
COc1cccc(CC(C)=NNC(=O)c2ccc(O)c(O)c2)n1	794559397	WGZVQGLHNKHUQM-UHFFFAOYSA-N	315.329	1.850	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1c(C)cc(C)cc1O	799881244	JGZYFARZJKJHSW-ZDUSSCGKSA-N	308.378	1.901	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cccc2c1O[C@H](C)C(=O)N2	791226208	YLRBLQQCNBSFDV-SNVBAGLBSA-N	312.329	1.866	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNC(=O)c2cccc(C)n2)c1	794080387	QAEAZOYVVCIKKT-UHFFFAOYSA-N	313.313	1.251	50	20	DDGD	
N#CCOc1cccc(C=NNC(=O)c2ccc(O)c(O)c2)c1	794558364	RNHGWBMCKANEHN-UHFFFAOYSA-N	311.297	1.764	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNc2cnnc3ccccc23)nn1	792327698	OZVJMXGDYKLHNN-UHFFFAOYSA-N	311.349	1.733	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H]1CCO[C@H](c2ccccc2)O1	1327068251	KNSQWAYSDXRBKI-OCCSQVGLSA-N	323.418	1.394	50	20	DDGD	
CN(C)c1ncccc1C=NNC(=O)CCN1CCCCCC1	1323618791	QEOHWOLHPICFCS-UHFFFAOYSA-N	317.437	1.864	50	20	DDGD	
CC(=NNC(=O)c1n[nH]c2c1CCCC2)c1ccc(O)cc1O	1322096239	SKAQSFCKEYOJJV-UHFFFAOYSA-N	314.345	1.854	50	20	DDGD	
CNc1ccc([N+](=O)[O-])cc1C(=O)NNc1ncncc1F	1324360113	QYIMWKYCVYGJJZ-UHFFFAOYSA-N	306.257	1.323	50	20	DDGD	
O=C(CCCC(=O)C1CC1)NNC(=O)c1n[nH]c2c1CCCC2	1326419024	XSBWODAGPTWHBE-UHFFFAOYSA-N	318.377	1.199	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1cccc(SC)c1	1338667006	NXTNCLDJLMWIQB-UHFFFAOYSA-N	319.386	1.298	50	20	DDGD	
C[C@]1(Cn2nnnc2N2CCCOCC2)C[C@H]1Br	1336189468	WAKXGERAJYMJEK-MWLCHTKSSA-N	316.203	1.073	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C)C1CC1	1330878308	CCGKPYYDPLZERS-BJDJZHNGSA-N	312.483	1.542	50	20	DDGD	
COCC(=O)NCCC(=O)NNc1cc(Cl)ccc1F	1261887604	NGAOEIDHEVQGMO-UHFFFAOYSA-N	303.721	1.075	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2ccccc2OCC(F)F)N1	1331976828	QDPBPGYNEJGJPR-SNVBAGLBSA-N	311.288	1.059	50	20	DDGD	
C[C@H](CNC(=O)NNc1ccc(F)cc1)N1CCN(C)CC1	1349882172	TVNMPJDNTFKXNM-GFCCVEGCSA-N	309.389	1.088	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCCC(F)F	1263794911	GHVUIRWHMMOISN-QMMMGPOBSA-N	319.283	1.579	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)N[C@@H]2CCC[C@H](F)C2)c1	1261454396	HQNOFXFHSUBCDK-QWHCGFSZSA-N	322.384	1.977	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(CCc1ccccc1)C(C)C	1344113371	MYKWFXDKQMBODA-UHFFFAOYSA-N	305.422	1.743	50	20	DDGD	
Cn1cc(C(=O)OC[C@@]2(C)C[C@@H]2Br)n(C)c1=O	1346558103	ORBXZNZTMLSLAU-GZMMTYOYSA-N	303.156	1.054	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)c1ncoc1[C@@H]1CCCO1	1348010026	GKGAHDOLVBAXLP-QMMMGPOBSA-N	309.713	1.726	50	20	DDGD	
C=CCOC[C@H](NC(=O)c1cccc(CCl)c1)C(=O)OC	1353680164	UHZNIHMMZUAQMW-ZDUSSCGKSA-N	311.765	1.899	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@@H]1CCO[C@H]1C1CC1	1357777071	XBQJCNYZLZYRJJ-OLZOCXBDSA-N	307.325	1.337	50	20	DDGD	
O=C(O)c1cc(C=NNC(=O)[C@@H]2CCCCO2)n2c1CCCC2	1602254615	FKCLUQORUKUPDC-AWEZNQCLSA-N	319.361	1.542	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)c1ccsc1-c1nn[nH]n1	1606861189	OOEWPOVOXZRWNY-UHFFFAOYSA-N	322.300	1.963	50	20	DDGD	
C[C@H](CNC(=O)NNc1cccc(C(=O)O)c1)Cn1cccn1	1604179129	UDYVXVYSGZZUIT-LLVKDONJSA-N	317.349	1.544	50	20	DDGD	
Cc1cc(C=NNC(=O)c2n[nH]c3c2CCCC3)oc1C(=O)O	1600185145	IRTJSBDXVGIBHE-UHFFFAOYSA-N	316.317	1.652	50	20	DDGD	
O=C(O)C1(C(=O)NNc2ccc(Cl)c(F)c2)CCOCC1	1605935882	VBPXTJOBXNMRLK-UHFFFAOYSA-N	316.716	1.804	50	20	DDGD	
CN(C)[C@H]1CCC[C@H](C(=O)NNc2ccccc2C(=O)O)C1	1606020774	WCVVHVQPPVFODM-RYUDHWBXSA-N	305.378	1.948	50	20	DDGD	
Cc1c(Cl)c(C(=O)NNc2ccc(C(=O)O)cn2)nn1C	1607528657	KERADUCPULHFNU-UHFFFAOYSA-N	309.713	1.232	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)N[C@H]1C[C@H](C(=O)O)C1	1601270517	NBWGECPMEBFPNV-JOCQHMNTSA-N	319.361	1.203	50	20	DDGD	
N#Cc1ccc(NNC(=O)Nc2ccc(CC(=O)O)cc2)nc1	1601107654	BXZLVFVAHSPFIY-UHFFFAOYSA-N	311.301	1.729	50	20	DDGD	
O=C(NN[C@H]1CCCSC1)Nc1cccc(-c2nn[nH]n2)c1	1606854041	DOJMLHCJFNHPLJ-NSHDSACASA-N	319.394	1.388	50	20	DDGD	
C[C@@H]1COCC[C@@H]1NC(=O)NNc1ccc(CC(=O)O)cc1	1604818843	LNRGUQPIRJZFNY-MFKMUULPSA-N	307.350	1.365	50	20	DDGD	
O=C(O)Cn1cccc1C=NNC(=O)[C@H]1Cc2ccccc2O1	1602166556	XQALXWCCTKBEJG-CQSZACIVSA-N	313.313	1.027	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc2[nH]nc(C(=O)O)c2c1	1604917955	FGSBHRCXVPSHKF-ZETCQYMHSA-N	319.321	1.460	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H]2CCCO[C@H]2c2ccnn2C)on1	1549510561	UDPHXVXOUZFJSP-GXTWGEPZSA-N	317.349	1.335	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H](CC(F)F)C(=O)O	1610618420	GQAMEBBNZJRNRW-NKLKJHRZSA-N	312.247	1.957	50	20	DDGD	
CCCN1CCC[C@@H](C(=O)NNc2ncccc2C(=O)O)C1	1573856864	FRAFDTUEATTYHG-LLVKDONJSA-N	306.366	1.345	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C12C[C@H]3C[C@@H](CC(N)(C3)C1)C2	1575140157	FCGVOCXGFSTYQN-CHISNJGVSA-N	324.494	1.578	50	20	DDGD	
CC(=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1	1834548189	FSYLLBLHVXKJTD-CYBMUJFWSA-N	319.808	1.112	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)CC(C)(C)N)c1	1574034994	IIMKCVMPCNATON-UHFFFAOYSA-N	314.773	1.629	50	20	DDGD	
C[C@H]1OC(C)(C)N[C@@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	1576899438	RVTUTUSLOTVWPX-LDWIPMOCSA-N	319.192	1.945	50	20	DDGD	
Cc1cc(NNC(=O)c2cn(CCCCN)nn2)ccc1Cl	1579638040	OZNWDEVJPUOPBG-UHFFFAOYSA-N	322.800	1.736	50	20	DDGD	
O=C(NNc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CNCCO1	1580736880	AVICHCJWHNBMSE-JTQLQIEISA-N	323.702	1.790	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(C(=O)O)[nH]2)cc1F	1598983053	ZKOXHIAKJSGKEN-UHFFFAOYSA-N	321.264	1.396	50	20	DDGD	
O=C(O)c1ccc2[nH]cc(C=NNC(=O)[C@H]3CCCCO3)c2c1	1776077688	QRWQVYDVNIXJOI-CQSZACIVSA-N	315.329	1.885	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)c1cc[n+]([O-])cc1	12061232	CDBHMUIMJDUIHI-UHFFFAOYSA-N	321.336	1.477	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Cc1cccc2ccccc12)N(C)C	161170918	BYOQLOMDIOPKQH-INIZCTEOSA-N	313.401	1.870	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)Nc2ccccn2)c(F)c1	161856505	QFJZGKKBGXPCNH-UHFFFAOYSA-N	320.349	1.861	50	20	DDGD	
NC(=O)CSCC(=O)NNc1cccc(Br)c1	152119337	TUNIZJBAPPCMRM-UHFFFAOYSA-N	318.196	1.111	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CCC2CCOCC2)n1	155861697	OFYMOZGAUUHUBT-UHFFFAOYSA-N	321.425	1.973	50	20	DDGD	
CC[C@@H](CC1CCCC1)C(=O)NNc1ccc(C(N)=O)nn1	154310573	ZNQXHXPNEOGRKC-NSHDSACASA-N	305.382	1.625	50	20	DDGD	
CCCc1nnc(S)n1CC(=O)NNc1cccc(F)c1	154978217	HHTRFQYQLXYNMB-UHFFFAOYSA-N	309.370	1.802	50	20	DDGD	
C[C@H](CO)N(Cc1ccccc1)S(=O)(=O)CCCCl	882711526	SNKYAQLQWCESAE-GFCCVEGCSA-N	305.827	1.828	50	20	DDGD	
COc1cc(C(=O)NNc2cnccn2)cc(OC)c1OC	352568	VUWZVPZHSZPFJC-UHFFFAOYSA-N	304.306	1.259	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)Cn2nc(C)cc2C)cc1	7584335	BVUFIWBFLYTIGM-UHFFFAOYSA-N	317.418	1.826	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)Nc1ccncc1	54450479	OHSLNYBDERWTPR-UHFFFAOYSA-N	310.317	1.504	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNC(=O)c1c[nH]c2ccccc12	104208649	BMSAXGKVDKPEGV-HNNXBMFYSA-N	314.389	1.803	50	20	DDGD	
CCOC(=O)N[C@@H](C(=O)NNc1ncccc1Cl)C(C)C	114884125	KLLGFWBHCKVLIK-SNVBAGLBSA-N	314.773	1.949	50	20	DDGD	
O=C(NNC(=O)c1csnn1)c1cccc(OC(F)F)c1	103111684	VHAZYKFXWNXFAV-UHFFFAOYSA-N	314.273	1.214	50	20	DDGD	
C[C@@H]1CCCC[C@H]1OCC(=O)NNC(=O)c1ccc(C#N)cc1	112885748	XMUDJVHKOLHLOT-IUODEOHRSA-N	315.373	1.915	50	20	DDGD	
CSCCNC(=S)NNC(=O)Cc1ccc2c(c1)CCC2	179546063	UWPGAJYHFZKVHI-UHFFFAOYSA-N	323.487	1.576	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(C#N)cn2)c1	107535209	ZMLXWYBCNZKPDE-UHFFFAOYSA-N	324.340	1.410	50	20	DDGD	
CCS[C@H]1CCCCN([C@@H](C)C(=O)NNC(=O)CC)C1	112089208	HCFPEGRFBRLPHH-RYUDHWBXSA-N	301.456	1.540	50	20	DDGD	
CCC(=O)N1CCC(=NNC(=O)c2n[nH]c3c2CCCC3)CC1	64306591	OAOCCUREBGDHQO-UHFFFAOYSA-N	317.393	1.407	50	20	DDGD	
CCC(=O)N1CC[C@H](NC(=O)NNc2ccccc2Cl)C1	177705371	HTAMPETWOLKEJY-JTQLQIEISA-N	310.785	1.977	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H](C(C)C)N(C)C)c1ccccc1	110963224	OVBZYKRXKIDJSB-LSDHHAIUSA-N	305.422	1.914	50	20	DDGD	
CCCCOCC(=O)NNC(=O)COc1cc(C)cc(C)c1	118303975	UGBYQTDXHLJSRU-UHFFFAOYSA-N	308.378	1.646	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cccc(C#N)c1)c1cccc(O)c1	112458376	USLKAODPHXZCCU-LLVKDONJSA-N	324.340	1.969	50	20	DDGD	
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NNc1ccc(Cl)nn1	68635009	MKXNKRSXOYEMED-SFYZADRCSA-N	314.777	1.059	50	20	DDGD	
CC[C@@H]1CN(C(=O)NNC(=O)c2ccc(C)s2)C[C@H](C)O1	111478689	SDMHRFDNMIHXLS-GXSJLCMTSA-N	311.407	1.910	50	20	DDGD	
CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)C(=O)NC1CC1	69883210	FZZKWUNZDWLDHV-AAEUAGOBSA-N	324.425	1.200	50	20	DDGD	
Cc1cc(NNC(=O)Cc2cc3ccccc3[nH]c2=O)ncn1	172281939	PIWAGXZWYRABBA-UHFFFAOYSA-N	309.329	1.312	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)C1[C@H]2CCC[C@@H]12	129051629	JQCLOSCSHDOCRE-XFLKPENQSA-N	306.387	1.678	50	20	DDGD	
O=C(/C=C/c1ccc[nH]1)NNC(=O)Cc1cn2ccccc2n1	188265008	HATGWBLCKVXOMI-VOTSOKGWSA-N	309.329	1.066	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)c2ccc3ccccc3n2)[nH]n1	127618266	ULVQVXJWABVJCI-UHFFFAOYSA-N	323.356	1.985	50	20	DDGD	
Cn1cc(CCCNC(=O)NNc2cc(Cl)ccn2)cn1	180941304	CUZBZLDHTIQHFS-UHFFFAOYSA-N	308.773	1.727	50	20	DDGD	
CCc1onc(C)c1NC(=O)C(=O)NNC(=O)CC(C)(C)C	126136946	RMXNWMOASSRXDY-UHFFFAOYSA-N	310.354	1.068	50	20	DDGD	
Cn1c(=O)oc2c(C(=O)NNc3ncccc3Cl)cccc21	124789779	QSNJKNYFMZORIE-UHFFFAOYSA-N	318.720	1.937	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)c(C)o1	78345889	IIKBAEBQBNIYOO-VXGBXAGGSA-N	323.393	1.157	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)Nc2cccc3[nH]ccc23)n1	185566161	WWMJQMNVWMCTGL-UHFFFAOYSA-N	324.344	1.657	50	20	DDGD	
CC(C)(CC(=O)NNC(=O)Cc1cc[nH]n1)c1ccccc1	186113966	OXGHQWMNJOMBHI-UHFFFAOYSA-N	300.362	1.468	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCc1ccc2c(c1)OCCO2	43163234	JVHCTEUVRVITJQ-UHFFFAOYSA-N	323.349	1.697	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNc1nc2ccccc2c(=O)[nH]1	137166341	HCSFMRQRVQALCC-JTQLQIEISA-N	304.350	1.571	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@@H]1C(N)=O	185800492	YUBLHWRHAZDHPA-KOJAKUIZSA-N	313.357	1.459	50	20	DDGD	
CC[C@@H](O)[C@H]1CCCCN1CC(=O)NNC(=O)c1ccccc1	182328585	PXLRYACLAIDUOD-HUUCEWRRSA-N	319.405	1.073	50	20	DDGD	
Cc1cccc2c(CC(=O)NNC(=O)c3cccn3C)c[nH]c12	130846738	WJIUOPUHGXOHDN-UHFFFAOYSA-N	310.357	1.819	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNC(=O)CCc2ccccc2)s1	195225214	ZUKAEZJJNNDVIW-UHFFFAOYSA-N	317.370	1.241	50	20	DDGD	
Cc1occc1C(=O)NCC(=O)NNc1ccc([N+](=O)[O-])cc1	133886670	CBHXTDHGWNBMFY-UHFFFAOYSA-N	318.289	1.369	50	20	DDGD	
N#Cc1cc(NC(=O)NNc2nc3ccccn3n2)ccc1F	192204584	GDILYDOTVIBMDC-UHFFFAOYSA-N	311.280	1.889	50	20	DDGD	
CC(C)CCNC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	42905823	JTLPYJYVUNPENK-LLVKDONJSA-N	311.357	1.970	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCCC1CC1	80517036	LVODKATYRDAWEL-JTQLQIEISA-N	309.341	1.724	50	20	DDGD	
C[C@@H]1C[C@H]1CNC(=O)NNC(=O)Cc1nc2ccccc2n1C	47099259	UBAMMYFZVUYIBT-MNOVXSKESA-N	315.377	1.102	50	20	DDGD	
CO[C@](C)(C(=O)NNc1cc(C)ncn1)c1ccccc1F	192351712	FKXVFNCDZQENLK-HNNXBMFYSA-N	304.325	1.929	50	20	DDGD	
C[C@@H](C(=O)NC1CC1)N1CCN(/C(=C\C#N)c2ccccc2)CC1	255918280	KFQIFPSYGLMFDL-QJVAEYLJSA-N	324.428	1.836	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@]12CCc1ccccc12)c1ccncc1	266522024	DZJCAZRCWLMSSK-QAPCUYQASA-N	307.353	1.747	50	20	DDGD	
CCOC(=O)CCNC(=O)c1c(C)nn(CCCl)c1C	266825259	IXQFXMZEZWIOOT-UHFFFAOYSA-N	301.774	1.422	50	20	DDGD	
Cc1ccc(F)c(C(=O)NNC(=O)Cn2nc(C)cc2C)c1	263860807	IFRYLQIQRBHGAN-UHFFFAOYSA-N	304.325	1.409	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(C)cc1OCCN(C)C	265685798	DCHQZEAYVPXUCH-UHFFFAOYSA-N	310.354	1.328	50	20	DDGD	
O=C(CCCOCCc1ccccc1)NNC(=O)C1CCC1	264800571	TZRJDXPXUGKPPL-UHFFFAOYSA-N	304.390	1.973	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1[C@H]2C=CC[C@H]1CC2	363504507	JFINRSREMQELJI-HOTGVXAUSA-N	313.401	1.478	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ccc(Br)nc1	272882994	XCUCULDZWBPHRS-UHFFFAOYSA-N	313.155	1.797	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC(OC[C@H]2CCOC2)CC1	368252847	KCOZXKIEZGYITQ-REQDGWNSSA-N	308.378	1.474	50	20	DDGD	
CC(C)NC(=O)NNC(=O)C(F)(F)c1c(F)cccc1F	270237851	PYIXVVPZVJEVKR-UHFFFAOYSA-N	307.247	1.795	50	20	DDGD	
CCOC[C@H](NC(=O)NNC(=O)c1ccccc1O)C(C)C	276893047	LNWDTIRMCRATMN-LBPRGKRZSA-N	309.366	1.397	50	20	DDGD	
COC1(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)CCC1	272971392	JLXUNAVKLMWLBR-UHFFFAOYSA-N	314.345	1.407	50	20	DDGD	
COC(=O)NCc1ccc(NC(=O)NNC(=O)C2CCC2)cc1	272880764	WUKPWWROVRKFIU-UHFFFAOYSA-N	320.349	1.495	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CSc1nnc2ccccn12	272860065	RVIVKJGVDTZWJN-UHFFFAOYSA-N	323.378	1.377	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)NC2CCCC2)ccc1C#N	277471966	ATMRICXPMARWAG-UHFFFAOYSA-N	322.390	1.302	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCc1nncn1C1CC1	273201938	NYPPOZHQCSGXDX-KPKJPENVSA-N	311.320	1.975	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H](C(=O)NNC(=O)c2cccn2C)C1(C)C	275539849	SEYGOCJPYHVTFR-GHMZBOCLSA-N	305.378	1.428	50	20	DDGD	
CCCc1nnc(NC(=O)NNc2nc3ccccn3n2)s1	276820183	PGHAFZCWUUDQDR-UHFFFAOYSA-N	318.366	1.682	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccc(Br)c1F	277447010	XFFWLMSHJWITFT-UHFFFAOYSA-N	318.146	1.894	50	20	DDGD	
CCSc1cc(CNC(=O)NNC(=O)C2CCC2)ccn1	275086638	ZZXPCCLSRCZYTL-UHFFFAOYSA-N	308.407	1.824	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNC(=O)c3ccc(C)o3)(CC1)C2	372938722	MFCSBMUPPQKQKP-UHFFFAOYSA-N	320.345	1.473	50	20	DDGD	
CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)NNc2ccc(F)cc2)C1	280814309	QYJQRNQVMRJCNV-GFCCVEGCSA-N	323.324	1.755	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Nc1nccs1	284081404	RLECFPBWMWAPSZ-UHFFFAOYSA-N	302.356	1.085	50	20	DDGD	
Cn1ncc2c1C[C@H](C(=O)NNc1ccc(F)cc1F)CC2	282952689	ZJOCAGDMIQSOKC-SECBINFHSA-N	306.316	1.947	50	20	DDGD	
CO[C@H](C(=O)NNc1cc(Cl)nc(C)n1)c1cnn(C)c1	281940688	IWILZTAWAHMXFE-NSHDSACASA-N	310.745	1.003	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNc1cccc(S(C)(=O)=O)c1	280115378	BBAHBJUUEQQIHY-WDEREUQCSA-N	324.402	1.539	50	20	DDGD	
O=C(CCn1nnc2ccccc2c1=O)NCC(Cl)Cl	288206723	LFQSXSPASGOSEY-UHFFFAOYSA-N	315.160	1.102	50	20	DDGD	
CC(C)(C)n1ncnc1CNC(=O)NNC(=O)c1ccccc1	282687102	WTXYIENJQHVWRJ-UHFFFAOYSA-N	316.365	1.177	50	20	DDGD	
CCCn1nc(C)c(C(=O)NNC(=O)[C@H]2CCCCO2)c1C	295747444	OKIYIRSQYKWWPM-GFCCVEGCSA-N	308.382	1.240	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C	804126299	GXWHOKJSBBKHMA-VIFPVBQESA-N	315.370	1.361	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)C2(C(=O)NC)CC2)cc1C	291322604	UUDIEZFNFJUOIM-UHFFFAOYSA-N	319.361	1.141	50	20	DDGD	
CO[C@@H](C)CCC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802120650	WHZJQGCZEISYAO-NSHDSACASA-N	308.382	1.720	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cccc(O)n2)cc1C	801602180	YQSVRPGRLAJQHO-UHFFFAOYSA-N	315.329	1.244	50	20	DDGD	
COCC1(CNC(=O)NNc2ncc(F)cc2F)CCC1	297880662	GSIDNWNFWQDCTQ-UHFFFAOYSA-N	300.309	1.803	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)CCCC(=O)OC)cc1C	291163261	JGDXMHOGFMUIMM-UHFFFAOYSA-N	322.361	1.958	50	20	DDGD	
CCc1n[nH]c(C(=O)NNC(=O)CC2CC2)c1Br	294185585	ONLURNLQXDQCQM-UHFFFAOYSA-N	315.171	1.296	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CC2CC2)cnn1-c1ccc(F)cc1	294219627	QQQIKWHZBHDPPY-UHFFFAOYSA-N	316.336	1.881	50	20	DDGD	
COc1c(C)ccc(NC(=O)NNC(=O)[C@@H]2CCCO2)c1C	292656784	OBOVJQGRPSREHF-LBPRGKRZSA-N	307.350	1.644	50	20	DDGD	
O=C(Cc1ccc2c(c1)NC(=O)C2)NNc1cccc(F)n1	804768836	XANJWKYRXXNAQV-UHFFFAOYSA-N	300.293	1.401	50	20	DDGD	
CC(C)c1cnc(NC(=O)C(=O)NNc2ncccc2F)s1	807302387	SXGGPXCDZRGUBF-UHFFFAOYSA-N	323.353	1.882	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)c2cc3c(s2)CCC3)O1	800315646	ZMKGMANFBWQAKX-JRKPZEMJSA-N	308.403	1.811	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCC(C)(C)CCC#N	807591163	DUIDQULSTLIRCX-UHFFFAOYSA-N	318.377	1.969	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2sc(C)cc2C)o1	292346828	PIYFBPLVVPLSEW-UHFFFAOYSA-N	314.388	1.890	50	20	DDGD	
O=C(NN=C1CC(C(=O)O)(c2ccccc2)C1)N1CCOCC1	814820834	DFYMGXOAYLJTFR-UHFFFAOYSA-N	317.345	1.201	50	20	DDGD	
COCCN(C)NC(=O)Cc1nc(-c2ccccc2)oc1C	816561872	OUJVNWAQUCSLAV-UHFFFAOYSA-N	303.362	1.802	50	20	DDGD	
O=C(NN=Cc1c[nH]c(C(=O)O)c1)c1ccc(O)c(Cl)c1	814849183	KXTPQIXNEKRGBR-UHFFFAOYSA-N	307.693	1.836	50	20	DDGD	
Cc1nc(N2CCOCC2)sc1C(=O)NN=C1CC2(CC2)C1	814749783	NHZIZXMCHKEEQG-UHFFFAOYSA-N	320.418	1.948	50	20	DDGD	
CCOc1ccc(C(=O)NN=Cc2cn(C)nc2O)cc1OC	814215016	JBNCGGPUNDSCTR-UHFFFAOYSA-N	318.333	1.297	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1ccc(CN(C)C)cc1	814761367	UXFLAOLEJRUJJV-UHFFFAOYSA-N	316.405	1.211	50	20	DDGD	
CC(=NNC(=O)N(C)C)c1nnn(-c2ccc(C)cc2)c1C	814820866	DORJJJRRIWNRRB-UHFFFAOYSA-N	300.366	1.879	50	20	DDGD	
Cc1nsc(C)c1C(=O)NNC(=O)COc1ccccc1O	814112821	PVMKEQHUBPTARX-UHFFFAOYSA-N	321.358	1.306	50	20	DDGD	
Cc1cc(CC(=O)NN=C2COc3cc(F)cc(F)c32)n[nH]1	814788041	ZIHMKODFGVIUBY-UHFFFAOYSA-N	306.272	1.452	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1	819745050	OGRLNPYJMQSGCB-UHFFFAOYSA-N	321.421	1.686	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)c1cccc(CO)c1	813430202	NFALEBSFDMUTAY-UHFFFAOYSA-N	314.341	1.409	50	20	DDGD	
O=C(CCC1CCCC1)NCC(=O)NNC(=O)CC(F)(F)F	726621981	PLNHWUJQHWVEQN-UHFFFAOYSA-N	323.315	1.173	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCC#Cc1ccccc1	728944024	IHYYSVRJFNGOCM-UHFFFAOYSA-N	308.341	1.006	50	20	DDGD	
Cn1c(=NNC(=O)CCN2CCCC2=O)sc2ccccc21	727705337	MRTUCOXZCIWZLD-UHFFFAOYSA-N	318.402	1.184	50	20	DDGD	
CCN(CCO)NC(=O)CC(C)(C)NC(=O)OC(C)(C)C	823859924	DNTKKGRVGQXCPQ-UHFFFAOYSA-N	303.403	1.025	50	20	DDGD	
Cc1ncc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c(C)n1	826329921	YAZGNBCUWXPHOY-UHFFFAOYSA-N	310.321	1.030	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)Nc1cccc(N2CCOC2=O)c1	495578735	NSLQNYVTZWYSPX-UHFFFAOYSA-N	313.317	1.609	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1cc2cc(C)ccc2o1	822257680	LRAAUCBNKCMJMD-UHFFFAOYSA-N	305.334	1.608	50	20	DDGD	
Cc1cc(O)nc(CNC(=O)[C@@H](Br)C(C)(C)C)n1	827610866	BRNCUXQLNXRSDO-SNVBAGLBSA-N	316.199	1.916	50	20	DDGD	
C[C@H]1CCCC[C@H]1NC(=S)NNC(=O)Cc1cccnc1	728798665	KVGQRGAYYYECSW-WCQYABFASA-N	306.435	1.698	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1c2ccccc2O[C@@H]1C	826810490	YCNUGSBGBNVYSN-BBGACYKPSA-N	319.361	1.264	50	20	DDGD	
CN(NC(=O)[C@@H]1C[C@]12CCN(C(=O)OC(C)(C)C)C2)C1CC1	496165395	DAOCPFBJTFOXRW-LRDDRELGSA-N	309.410	1.759	50	20	DDGD	
Cc1ncsc1C=NNC(=O)CCNC(=O)OC(C)(C)C	495276088	LOFNRGUHNHUPFE-UHFFFAOYSA-N	312.395	1.816	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ncsc1Nc1ccccc1	823924416	ZUSURPADMPXPAP-JTQLQIEISA-N	306.391	1.844	50	20	DDGD	
C[C@@H]1CCCN([C@H](C)CNC(=O)/C(C#N)=C/c2cnn(C)c2)C1	491100817	BSZQLGIJRIKWRS-KSEVXRAHSA-N	315.421	1.564	50	20	DDGD	
CC(C)NC(=O)/C(C#N)=C\c1ccc(-c2nn[nH]n2)cc1F	820133988	VEXGFQZSTHKGFX-WZUFQYTHSA-N	300.297	1.437	50	20	DDGD	
CCC(C)(C)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	820847795	MDHDMURKPLDXAN-UHFFFAOYSA-N	316.365	1.454	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)/C=C/c1ccc2c(c1)OCO2	490552142	NGPVKCUTOOSECM-FNORWQNLSA-N	313.313	1.228	50	20	DDGD	
O=C(CCC1CCC1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	826405420	FFEPSVJIIKCZQN-UHFFFAOYSA-N	321.772	1.939	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21	827604639	BVNNGUQNJSJBMT-SCDSUCTJSA-N	305.353	1.887	50	20	DDGD	
OB(O)c1ccc(CNc2ccc(OC[C@@H]3CCCO3)cc2)o1	585012026	KBOAXMSSOWRBRI-HNNXBMFYSA-N	317.150	1.129	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc(F)c2occc12	820942285	UAODQOQRTKAYDZ-GFCCVEGCSA-N	306.293	1.902	50	20	DDGD	
CCN(CCO)NC(=O)C1CC(O)(c2cccc(Cl)c2)C1	823897601	HLZFIANQMZCERR-UHFFFAOYSA-N	312.797	1.283	50	20	DDGD	
CN1C[C@@H](N(C)C(=O)[C@H](Br)C(C)(C)C)CCC1=O	820395940	HEHQFMXRPWDZFY-ONGXEEELSA-N	319.243	1.875	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-]	496275840	NYIMGTVTRPYUFP-UHFFFAOYSA-N	301.686	1.948	50	20	DDGD	
CCn1nc(C)c(NC(=O)NNC(=O)c2cccc(F)n2)c1C	822322498	MGUMODWSBMSCFY-UHFFFAOYSA-N	320.328	1.520	50	20	DDGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)OC(C)(C)C	491173490	CUVCGDZRHPZIJU-FFXRNRBCSA-N	318.377	1.564	50	20	DDGD	
CCOC(=O)[C@H](CC1CC1)NC(=O)/C(C#N)=C\c1cnn(C)c1	826817895	HMBKIAXPYTYFQX-XMRSSTEGSA-N	316.361	1.175	50	20	DDGD	
O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)NCB(O)O	585057887	NGWCOLJGKYSEDH-DUXPYHPUSA-N	307.464	1.500	50	20	DDGD	
COc1ccc(C=NNC(=O)c2cccn2C)cc1[N+](=O)[O-]	730145441	ZEJIPDRBTPYELV-UHFFFAOYSA-N	302.290	1.706	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@@H](C)C(F)(F)F)cc1	823844864	BCCHJXOFQKCSFY-ZETCQYMHSA-N	320.271	1.982	50	20	DDGD	
O=C(CSc1ccc2c(c1)OCCO2)NNc1cccnn1	736697386	HTJPVUSYBZSYBA-UHFFFAOYSA-N	318.358	1.483	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)[C@@H](C)c1ccccc1	826121575	MQZPFFBQBCKGMI-UKTARXLSSA-N	319.405	1.934	50	20	DDGD	
Cn1ccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)n1	490811585	GLKOALZXYRWSEH-DHZHZOJOSA-N	310.313	1.737	50	20	DDGD	
OB(O)c1ccc(CNCC2(c3cccc(F)c3)CC2)c(F)c1	585027849	DWVWLCCNANBSCX-UHFFFAOYSA-N	317.144	1.466	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C	491614416	AFGDBJAKKQDCPK-NXEZZACHSA-N	314.386	1.030	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCCOc3cc(F)ccc32)cc1	585032115	BLIVCCIKHQDQBG-INIZCTEOSA-N	315.153	1.509	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)C[C@@H]1Br	909569991	IDNFMMOAPJGZFD-DNJQJEMRSA-N	315.211	1.430	50	20	DDGD	
COCCOc1ncccc1C(=O)NNc1cc(C)nc(C)n1	736712024	ZJBVBKJUIOTKDW-UHFFFAOYSA-N	317.349	1.271	50	20	DDGD	
CC[C@](C)(NC(=O)c1cc(B(O)O)ccc1F)c1nccs1	584952905	ZBGZMRSCUSOMSY-AWEZNQCLSA-N	322.170	1.017	50	20	DDGD	
CCCC[C@@H](CC)C(=O)NNC(=O)CNC(=O)OC(C)(C)C	494454067	OHCHODJKJGZTIY-LLVKDONJSA-N	315.414	1.875	50	20	DDGD	
COc1ccccc1C(=O)NN=C(C)c1cc(C(N)=O)n(C)c1	731488151	WRMSJVRLNPYUIT-UHFFFAOYSA-N	314.345	1.287	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CC2CCCC2)cc(C(N)=O)c1	836735926	SVVLZTZHEOYBFQ-UHFFFAOYSA-N	318.377	1.827	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H](C)c2nc(C)cs2)n1	834814818	DFLRMYKDQHTNTK-SNVBAGLBSA-N	304.375	1.720	50	20	DDGD	
CC(C)(NC(=O)O)C(=O)NNC(=O)c1ccc2ccccc2n1	736337917	XWGALZCFNJVAII-UHFFFAOYSA-N	316.317	1.042	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C[C@@H]2C[C@H]3CC[C@H]2O3)c1	836205808	SMSXAAHFZLPXKC-NWANDNLSSA-N	318.373	1.479	50	20	DDGD	
Cc1cc(N2CC[C@@H](B(O)O)C2)n2c(nc3ccccc32)c1C#N	585072350	ADEZEIHTZBOUSN-GFCCVEGCSA-N	320.161	1.721	50	20	DDGD	
COC(=O)C1CCN(C(=O)[C@]2(C)C[C@H]2Br)CC1	905113507	QSXNKTRVSYNSKW-BXKDBHETSA-N	304.184	1.572	50	20	DDGD	
C=CCOCC(=O)NNc1cc(CC)nc(-c2ccccn2)n1	738538750	QYKXIXHXLKEZAI-UHFFFAOYSA-N	313.361	1.747	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)C[C@H]1C[C@H]2CC[C@H]1O2	836207849	KEUKPPSLARVNOD-NQBHXWOUSA-N	322.336	1.310	50	20	DDGD	
CC(C)(CCC(=O)NNC(=O)c1ncon1)c1ccccc1	832825889	KMHCUOMOLQPTSB-UHFFFAOYSA-N	302.334	1.589	50	20	DDGD	
C=CC(C)(C)C(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1	837863790	NJDDQZFSJKOQRI-UHFFFAOYSA-N	324.764	1.856	50	20	DDGD	
C[C@H]1c2ccsc2CCN1C(=O)c1ccc(B(O)O)c(F)c1	584925722	MHFFGNIQQBLFRU-VIFPVBQESA-N	319.166	1.327	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CCCCO2)ccc1OC(C)=O	834987977	DWVGVPSJCQVGFB-CQSZACIVSA-N	320.345	1.640	50	20	DDGD	
CCOC(Cn1cc(C(=O)NCC(Cl)Cl)cn1)OCC	837643303	DERBTYXTNUCOKI-UHFFFAOYSA-N	324.208	1.816	50	20	DDGD	
O=C(Cc1coc2cc(F)ccc12)NNC(=O)[C@@H]1CCCCO1	833246593	NMXYOSPSRPAGHE-ZDUSSCGKSA-N	320.320	1.831	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NN=C2C[C@@H](C)n3ccnc32)c1	834965526	QMXOLLKZDYSUOK-SECBINFHSA-N	312.333	1.335	50	20	DDGD	
CCC(=O)c1cccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	831571061	OLRXHQIFOYBOJN-GXFFZTMASA-N	319.361	1.857	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H](C)CC(=O)O)c(Cl)c1	832948620	UGVWJJGKPAWMDH-QMMMGPOBSA-N	313.741	1.912	50	20	DDGD	
CCSc1ccccc1CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	911503477	VGNFRVCDCDJOCJ-WCQYABFASA-N	322.430	1.914	50	20	DDGD	
O=S(=O)(CCl)N1CCC(CCCn2ccnc2)CC1	831080810	JBXVWXRYSMZFOT-UHFFFAOYSA-N	305.831	1.901	50	20	DDGD	
O=C(NN=Cc1ccc2c(c1)OCCCCO2)N1CCOCC1	834950237	ZAJLLICMUHTJFZ-UHFFFAOYSA-N	319.361	1.614	50	20	DDGD	
CO[C@@H]1CC(=NNC(=O)[C@@H](C)CN2CCOCC2)C12CCC2	834932487	IGFLAJFVHSHRGI-GXTWGEPZSA-N	309.410	1.016	50	20	DDGD	
O=C(NN=Cc1ccc(Br)cn1)[C@H]1CCCCO1	834987981	CEMLCKLJEQPTLZ-LLVKDONJSA-N	312.167	1.863	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)Oc1ccccc1F)c1cnn(C)n1	834929990	KRVAQATUJGJHCH-SNVBAGLBSA-N	305.313	1.262	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1	748570484	KQAQCMRGHSTZNX-UHFFFAOYSA-N	320.280	1.347	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CC(C)(C)NC(=O)OC(C)(C)C	910164251	WRLAGSUNNLNJHD-SNVBAGLBSA-N	303.403	1.024	50	20	DDGD	
C[C@H](Cc1cccs1)NC(=O)NNC(=O)CC(F)(F)F	918067275	GEPSSBZEUIIJSS-SSDOTTSWSA-N	309.313	1.962	50	20	DDGD	
C[C@@H]1CCc2[nH]nc(C(=O)NNC(=S)NCC3CCC3)c2C1	912109632	JDGGTOJDSJLGOH-SECBINFHSA-N	321.450	1.444	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1ccncc1F	741210551	RJMGZASTLLIQOJ-UHFFFAOYSA-N	300.253	1.423	50	20	DDGD	
CN(C)CCn1ccc(C(=O)NNc2cccnc2Cl)n1	848222880	XHXTXZBNOXDJMV-UHFFFAOYSA-N	308.773	1.250	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)CS(C)(=O)=O	748748208	GWFLNCOJZFXFMM-UHFFFAOYSA-N	321.196	1.245	50	20	DDGD	
C=CCNC(=S)NNC(=O)COC[C@@H](C)c1ccccc1	845076945	UTNQXDLIXHXVHE-GFCCVEGCSA-N	307.419	1.488	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCCC1=NNC(=O)c1ccc(N)cc1	741451683	MOWHLMJYOYSUDX-ZDUSSCGKSA-N	309.391	1.342	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CCc3nnnn3CC2)c(Cl)c1	846247334	ULNQXQUBKOOEFD-JTQLQIEISA-N	320.784	1.731	50	20	DDGD	
O=C(O)CSCC(=O)NNC(=O)c1cccc2ccccc12	740485262	DMBHICQDONQQOO-UHFFFAOYSA-N	318.354	1.419	50	20	DDGD	
Cc1cc(C)c2c(c1)C(=NNC(=O)[C@H]1CCO[C@@H]1C)C(=O)N2	842552936	CQGLETIQPOKCFW-MNOVXSKESA-N	301.346	1.501	50	20	DDGD	
C[C@@H](CNC(=O)NNc1cccc(Br)n1)C(=O)O	848583846	IGSIBILDRYJSTG-LURJTMIESA-N	317.143	1.191	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NC[C@]1(C)C[C@H]1Br	857385096	DHVSNLFGHMPYPE-LNLATYFQSA-N	306.200	1.865	50	20	DDGD	
COC(=O)[C@H](C)n1cccc1C=NNC(=O)[C@H]1CCO[C@H]1C	842562750	SANKWYQGWJAAPC-GVXVVHGQSA-N	307.350	1.097	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1ccc(C#N)s1	748779749	CVLUUUDJXFVODO-NSHDSACASA-N	306.391	1.038	50	20	DDGD	
NC(=O)c1cc(NC(=O)NNC(=O)C2CCCC2)ccc1F	916374828	ZOXYZPQLDMIFBW-UHFFFAOYSA-N	308.313	1.268	50	20	DDGD	
CCO[C@@H](C)c1ncc(C(=O)NNC(=O)c2cnn(C)c2)s1	742687529	LQERKRLZAHAANA-QMMMGPOBSA-N	323.378	1.049	50	20	DDGD	
CC[C@H](C(=O)NN=Cc1c(N)ncnc1OC)c1ccccc1	747631670	SXEJJFIEPUPVGB-LBPRGKRZSA-N	313.361	1.711	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@H]2CC2(Cl)Cl)n1	915909312	XNRIYFFRXPIAFW-MRVPVSSYSA-N	304.181	1.913	50	20	DDGD	
C=CC1CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC1	744400440	JNAHXXPNENECKJ-UHFFFAOYSA-N	312.373	1.217	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccccc1OC	840289302	WKYPKKWULZMNJS-QWHCGFSZSA-N	321.377	1.166	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCCC[C@H]1N1CCCCC1	748780275	IDGXLZKVWDHMMT-OAHLLOKOSA-N	320.437	1.510	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1c[nH]c(C(=O)N2CCCC2)c1	917106010	QJKYWNZLFWHLJK-UHFFFAOYSA-N	318.377	1.202	50	20	DDGD	
CCCC[C@H](CN)NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	841959568	ROSNMAGLNWKGBU-LLVKDONJSA-N	323.353	1.056	50	20	DDGD	
CC[C@H](C)c1nc(C)c(CC(=O)NNC(=O)C(C)C)c(C)n1	847290089	UGQIRBFEOMJQRC-JTQLQIEISA-N	306.410	1.953	50	20	DDGD	
COCC1(CC(=O)NNC(=O)CCCc2ccccc2)CC1	843542929	KVWOCXBQYJLHOU-UHFFFAOYSA-N	304.390	1.973	50	20	DDGD	
N[C@H](CNC(=O)NNC(=O)c1ccc(Cl)cc1F)C1CC1	841967977	JTSXGJWILDLIIE-LLVKDONJSA-N	314.748	1.160	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=C1C(=O)Nc2cccc(Cl)c21	842555597	MDCBBBWVEUWWQR-JGVFFNPUSA-N	307.737	1.537	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@H](C[C@H]1CCCO1)C(F)(F)F	845894736	IKGOQTKMWKUKGM-BDAKNGLRSA-N	322.262	1.806	50	20	DDGD	
CCOC(=O)COCCNC(=O)NNc1ccc(F)c(F)c1	922695367	GYOHKMOIJCQZQR-UHFFFAOYSA-N	317.292	1.171	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H](CN)C2CCCC2)cc1	841984880	GDPZFSRVVATIRU-HNNXBMFYSA-N	318.421	1.711	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1ccc2c(c1)CNCC2	841303326	BAQCAIQHBKGQTF-CQSZACIVSA-N	318.377	1.054	50	20	DDGD	
CC(C)[C@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1	745025365	HZPDJMQPGMRKCC-NSHDSACASA-N	317.345	1.155	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCc2cccs2)c(O)n1	920859814	GWBOLHMWPHXHCI-UHFFFAOYSA-N	320.374	1.344	50	20	DDGD	
CN(C)c1cc(C(=O)NN=C2CCCN3CCCC[C@H]23)ccn1	848405179	BUZVENYAXHWOSG-OAHLLOKOSA-N	315.421	1.882	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)C(C)(C)NS(C)(=O)=O	928339855	MRZAEBURKNNJQV-UHFFFAOYSA-N	319.814	1.419	50	20	DDGD	
C[C@H](COCC(=O)NNC(=O)c1ccc[nH]1)c1ccccc1	845106691	JWOYLRCAVDJFEE-GFCCVEGCSA-N	301.346	1.596	50	20	DDGD	
CC(C)CCn1cc(C(=O)NNC(=S)N[C@H](C)C2CC2)nn1	751620678	XOXIYJWWKPHWNH-SNVBAGLBSA-N	324.454	1.232	50	20	DDGD	
COc1nccnc1NNC(=O)C(F)(F)c1nccs1	757672334	FBEKLKGQYBZYBB-UHFFFAOYSA-N	301.278	1.177	50	20	DDGD	
CN(C)C1(CNC(=O)NNC(=O)c2cc3c(s2)CCC3)CC1	923014852	KKVLABYBCXNXEE-UHFFFAOYSA-N	322.434	1.275	50	20	DDGD	
O=C(NN=Cc1sc(N2CCCC2)nc1Cl)c1cc[nH]n1	853393117	VCMLTTLVKUTEOJ-UHFFFAOYSA-N	324.797	1.884	50	20	DDGD	
Cc1ccc(Oc2ccccc2NC(=O)NNC(=O)CO)cc1	755434358	OSVCKHVGJCLSPH-UHFFFAOYSA-N	315.329	1.932	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CC(CN(C)C)C2)cc(C#N)n1C	854723328	XAHPYQDLHVWURH-WCSRMQSCSA-N	311.389	1.132	50	20	DDGD	
CCC/C(C)=C\C(=O)NNC(=O)[C@H]1COc2ccccc2O1	920216766	QAUHSOWNMAJBPQ-RBJHHQRMSA-N	304.346	1.720	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)c1ccc(-c2nc[nH]n2)cc1	857533112	ITXVMDFCRIJYCK-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)NNC(=O)C1CCCC1	753346081	VCQCPYDYKADPQN-SNVBAGLBSA-N	312.414	1.152	50	20	DDGD	
CC1=NO[C@@H](CNC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)C1	854789528	CGOQBTFTXNAZIV-DTHCKZEYSA-N	311.345	1.393	50	20	DDGD	
CC(C)CN1CCN(CCI)CC1=O	759453612	ZDUNIFQSRXPGMO-UHFFFAOYSA-N	310.179	1.222	50	20	DDGD	
CCN1CCOC[C@H]1C(=O)NNc1cc(F)cc(Cl)c1	855618886	VBZAJIZFAGUSMQ-LBPRGKRZSA-N	301.749	1.643	50	20	DDGD	
CC(CN1C(=O)CCC1=O)=NNC(=O)Cc1ccc(F)cc1	754914607	VYLCJFKMWAJXPS-UHFFFAOYSA-N	305.309	1.009	50	20	DDGD	
Cc1ncc2n1C[C@@H](C(=O)NNc1ncc(Cl)cn1)CC2	857730045	KQAIECZBSLWFRQ-VIFPVBQESA-N	306.757	1.341	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cccc([N+](=O)[O-])c1O)C1CC1	855098874	NHHPVXNGHCUDHC-SSDOTTSWSA-N	324.362	1.208	50	20	DDGD	
C[C@H]1C[C@@H](C)CN1CC(=O)NNC(=O)c1cccc(C#N)c1	756523061	BLTAWUPFLJXGTI-NEPJUHHUSA-N	300.362	1.050	50	20	DDGD	
CC(=NNC(=O)Cc1nc2ccccc2n1C)c1nccn1C	755536476	PXQHVNGYBRMJLD-UHFFFAOYSA-N	310.361	1.390	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCOc1ccc(Cl)cc1	854926021	SRYXYYYIBCDWBV-UHFFFAOYSA-N	301.799	1.576	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@H]1CCc2ccccc2O1)C1CC1	855095684	ONRIUSVMHFPTBS-QMTHXVAHSA-N	319.430	1.674	50	20	DDGD	
CCCC[C@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)C(C)C	857125591	SRMWRVILXGYYBS-JTQLQIEISA-N	320.397	1.974	50	20	DDGD	
CC[C@@H](CC(F)(F)F)C(=O)NNC(=O)c1cccc(F)n1	856427150	QPNAKWRUXLGBMQ-ZETCQYMHSA-N	307.247	1.960	50	20	DDGD	
Cc1ccc2c(c1)CN(C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)CC2	852394505	TWERDMJEQZVIJM-DOMZBBRYSA-N	317.389	1.519	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1c[nH]nc1-c1ccoc1)C1CC1	855097378	OYIBVOFHHTXFOZ-MRVPVSSYSA-N	319.390	1.577	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(F)c(C(F)(F)F)c1	756253640	IVHLBIPLRYVVMH-UHFFFAOYSA-N	309.219	1.644	50	20	DDGD	
CN(C[C@H]1COCCO1)C(=O)/C(C#N)=C/c1ccc(O)cc1	855680781	CBYBSPYTLVPVDH-NRUITVPNSA-N	302.330	1.173	50	20	DDGD	
CCCCS(=O)(=O)CC(=O)NNc1cccc(F)c1F	935024802	ZKZRDVDSJXIDLG-UHFFFAOYSA-N	306.334	1.623	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@@H]2CCO)C[C@H]1Br	856952665	MBFLCELZTZZYKW-CKYFFXLPSA-N	305.216	1.716	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)Nc1cnns1	755370006	UBNOEEJGIOIZGX-UHFFFAOYSA-N	315.156	1.844	50	20	DDGD	
C[C@H]1C(=NNC(=O)c2cccc(C(=O)O)c2)CC[C@@H]1CC(=O)O	853426328	LXFFAKSIZJNVAN-NXEZZACHSA-N	318.329	1.991	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cnc(N(C)C)s2)n1	755563886	HELIKFPHKCHRTP-UHFFFAOYSA-N	306.395	1.173	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)c1ccc2c(c1)OCCO2	754397525	RVALNQPRYCNFBV-UHFFFAOYSA-N	317.276	1.067	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=C1C[C@@H](C)N(C2CC2)C1	753955644	RUVGAMKOULQZLO-LLVKDONJSA-N	311.389	1.985	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1ccc(N)cc1	750937089	QPLARFZUWLCQCK-UHFFFAOYSA-N	300.318	1.132	50	20	DDGD	
COc1cc(C=NNC(=O)c2c[nH]nc2C)c2c(c1)C[C@H](C)O2	755730801	OGYZPNBGWAFNDX-VIFPVBQESA-N	314.345	1.814	50	20	DDGD	
CSc1ccc(C(C)=NNC(=O)[C@@H]2CCC(=O)N2)cc1F	863149312	WZMSIZOXOJTQNY-NSHDSACASA-N	309.366	1.666	50	20	DDGD	
Cc1nnc(-c2ccccc2C(=O)NNC(=O)NC2CC2)o1	765119159	RHAYVMREZWKORI-UHFFFAOYSA-N	301.306	1.151	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)OCCN1CCOCC1	766752693	RJOPYYXULWVLCE-SNVBAGLBSA-N	308.216	1.671	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCC1SCCS1	867531247	UBKINJAAAJXGKQ-UHFFFAOYSA-N	303.902	1.977	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1ccc(CC(=O)O)cc1	863178036	YNAJHFCGMYFNIM-XNTDXEJSSA-N	316.357	1.763	50	20	DDGD	
O=C(NNC(=O)c1coc(C2CCOCC2)n1)c1ccccc1	769676098	OCKSCKJLDIXQOQ-UHFFFAOYSA-N	315.329	1.643	50	20	DDGD	
Cc1nc(-c2ccc(NCc3ccccc3B(O)O)cc2)n[nH]1	864030472	MDJJICUVLLPYAL-UHFFFAOYSA-N	308.150	1.072	50	20	DDGD	
CCO[C@H](C(=O)NNc1nc(O)c2ccccc2n1)C1CC1	863895803	VRCMLHOZDCTZCX-LBPRGKRZSA-N	302.334	1.594	50	20	DDGD	
O=C(C[C@H]1CC(=O)Nc2ccccc21)NNC(=O)NCC1CC1	930734960	SLYUNAVGVLQRLF-LLVKDONJSA-N	316.361	1.243	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CCN3CCC[C@H]23)cc1C	765571004	YRSPBMVQBHEASM-OAHLLOKOSA-N	314.389	1.582	50	20	DDGD	
Cc1ccc(C)c(NC(=O)C(=O)NNC(=O)C2CCCC2)c1	764066114	HCJNCKMCMWHLRT-UHFFFAOYSA-N	303.362	1.580	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2conc2C(C)C)nc1	860446576	VHTLMWIIJZNNJA-UHFFFAOYSA-N	304.306	1.737	50	20	DDGD	
CC(C)C(=O)N[C@@H](CO)C(=O)NNc1ccc(F)c(Cl)c1	863082917	VFDPDMKVLKMGJP-NSHDSACASA-N	317.748	1.055	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)[C@H](OC1CCCC1)c1ccccc1	768246019	HZUTZVJBCFHBSF-CQSZACIVSA-N	320.389	1.605	50	20	DDGD	
CC[C@@H](C(=O)NN[C@@H](C)C(F)(F)F)N1CCO[C@H](CC)C1	862319860	LTSAKWXWNBXTHI-AXFHLTTASA-N	311.348	1.447	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NC[C@@]1(O)CCSC1	866909053	QNYXFKSTQLIJCV-JTQLQIEISA-N	301.861	1.039	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F	763517264	UWDNARVGOGTPFU-UHFFFAOYSA-N	321.667	1.047	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C(=O)NC1CC1)C1CCC(C)CC1	763734369	KDMGXCQRJRQDIK-GCZXYKMCSA-N	309.410	1.265	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H](C)CNC(=O)OC(C)(C)C)n1	862520178	JPPYRRKBLCMVHG-SNVBAGLBSA-N	308.382	1.994	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C2CCC(c3ccc(O)cc3)CC2)N1	863150285	QUSQURFFZVAGOY-JOPIAHFSSA-N	315.373	1.801	50	20	DDGD	
O=C(NN=Cc1c(F)ccc(F)c1Cl)C(=O)NC1CC1	863076088	HEAFOCXNYDPOBW-UHFFFAOYSA-N	301.680	1.347	50	20	DDGD	
CCOc1cccc(CCC(=O)NNC(=O)[C@@H]2CCCCO2)c1	861852983	MWPBAMQPRWNJOX-HNNXBMFYSA-N	320.389	1.734	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H]2CCOC2=O)cc1	869088565	WWWMNLBMHOPFJD-UQTJOTSZSA-N	300.314	1.424	50	20	DDGD	
COc1cc(C)c(C(C)=NNC(=O)c2cn[nH]c2)cc1OC	863154723	JZVNUEXBURIMLD-UHFFFAOYSA-N	302.334	1.889	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@@H]2CC(C)=NO2)cc1	875981706	JRRUPJUKRYLMEL-ZDUSSCGKSA-N	304.350	1.358	50	20	DDGD	
COc1ccc(OCC(=O)NN=CC2CCN(C)CC2)cc1	872329610	UQCGXAHUKQXKNM-UHFFFAOYSA-N	305.378	1.518	50	20	DDGD	
CC[C@H](C)CCNC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1118818724	QTXLUWPOMUMOCU-OUJBWJOFSA-N	319.243	1.829	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2[nH]cnc2C)cc1C	873773223	PVQMDFSNOYRQRA-UHFFFAOYSA-N	302.334	1.175	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)C(=O)Nc1ccc(Cl)cc1	764115990	HOEIVDBZYCCOBM-UHFFFAOYSA-N	323.658	1.378	50	20	DDGD	
O=C(NN=Cc1cncs1)c1csc(N2CCOCC2)n1	767756026	RCAVZOQXLLKBJH-UHFFFAOYSA-N	323.403	1.200	50	20	DDGD	
CN(C)CCCCC(=O)NNC(=O)c1nc2ccccc2s1	874913327	KFBOVGSWNNBJRU-UHFFFAOYSA-N	320.418	1.789	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1cccc(OC(F)F)c1	779820501	BVVKMXOGPORRLI-UHFFFAOYSA-N	315.276	1.484	50	20	DDGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCN(CCC#N)CC1	879601055	ZYPOXWUJNCASMF-SOFYXZRVSA-N	311.345	1.991	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)[C@H]1CSCCS1	874954805	ASGAHIXWCBLKHQ-MRVPVSSYSA-N	314.461	1.248	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=S)Nc1cccc(F)c1F	1118257325	DTQMLCOTBKNTTJ-SFYZADRCSA-N	315.345	1.707	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1	876069588	UVHIJTVNLLRDGY-CQSZACIVSA-N	320.393	1.482	50	20	DDGD	
CC[C@H](NNC(=O)c1ccc[nH]1)C(=O)Nc1ccc(C)cc1	871872767	WPCRHAFOBKUJFL-ZDUSSCGKSA-N	300.362	1.975	50	20	DDGD	
CC[C@H](C)[C@H](CNC(=O)NNC(=O)c1ccc(OC)cc1)OC	1117809570	SFAQTWZPRNWZJB-FZMZJTMJSA-N	323.393	1.700	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H](NC=O)C(C)C)cc1C	873762688	ZCYFUNQCWGQNTJ-ZDUSSCGKSA-N	322.434	1.392	50	20	DDGD	
CCN(CC)Cc1ccc(CNC(=O)NN(C)C(=O)OC)cc1	875023627	HLHRHYZUSOCUTM-UHFFFAOYSA-N	322.409	1.941	50	20	DDGD	
CCN(CC)c1ccc(CNC(=O)NN(C)C(=O)OC)cc1	875120787	DEDKXPPYVWBXHM-UHFFFAOYSA-N	308.382	1.945	50	20	DDGD	
C=CCNc1ncc(C(=O)NNC(=O)CC(F)(F)F)s1	771000214	YPNYIROQHMTNAY-UHFFFAOYSA-N	308.285	1.454	50	20	DDGD	
CCCn1cc(C=NNC(=O)c2cc(OC)cc(OC)c2)nn1	872333084	ZQTHYARRMRSZLU-UHFFFAOYSA-N	317.349	1.469	50	20	DDGD	
C=C[C@@H](COC)NC(=O)NNC(=O)c1ccc2ccccc2n1	1116644100	XLFYNXUGKCRWDC-LBPRGKRZSA-N	314.345	1.380	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1cc(C#N)ccc1Cl	775276536	WWXCABNYCJXPOD-UHFFFAOYSA-N	316.770	1.114	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2c3c[nH]nc3CC[C@H]2C)nc(C)n1	878897422	KZJBBOMGFMFPIY-XLKFXECMSA-N	300.366	1.626	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)COC[C@@H]1CCCO1	777772692	IWSSPVNHJBCJMR-NSHDSACASA-N	308.334	1.112	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@@H]1OCCc2ccccc21	881887754	UCOWICBEPSGNFH-ZDUSSCGKSA-N	303.811	1.849	50	20	DDGD	
O=S(=O)(CCCCl)N1CCN(c2cccc(F)c2)CC1	882501060	IKZFZUUJVDKBAW-UHFFFAOYSA-N	320.817	1.906	50	20	DDGD	
Cc1cccc(S(=O)(=O)NNC(=O)NCC2CC2)c1Cl	775672201	HLJLSXGTTBEALI-UHFFFAOYSA-N	317.798	1.551	50	20	DDGD	
N#Cc1ccc(SCC(=O)NNC(=O)C2CCOCC2)cc1	883062802	RSIFSXXVWLGVAV-UHFFFAOYSA-N	319.386	1.224	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@H]1OC(=O)c2ccccc21	887139257	HLPNHXHOJLQMCN-CYBMUJFWSA-N	300.314	1.239	50	20	DDGD	
CCNC(=O)COc1cccc(NC(=O)NNC(=O)C(C)C)c1	782549933	VJAQEIJWOWQBPW-UHFFFAOYSA-N	322.365	1.010	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C2(SC)CCC2)c1	781873262	ZGYNBIIBCJCANK-UHFFFAOYSA-N	324.402	1.751	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=C1COCc2ccccc21	782242220	FDXNDBKQTJLOIQ-UHFFFAOYSA-N	320.352	1.928	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNc2ncncc2Cl)cc1	782166868	YXGLTJKEFNXZAT-UHFFFAOYSA-N	319.752	1.774	50	20	DDGD	
CCc1cnccc1[C@H](C)NC(=O)NNC(=O)C1CCOCC1	883551688	VVKXNMQHHGWOEZ-NSHDSACASA-N	320.393	1.462	50	20	DDGD	
C[C@@]1(C#N)CCCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1	784444815	UKGPJWXQJFNOOZ-INIZCTEOSA-N	318.352	1.212	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCCO1	783817727	XPXBKGPCHIPEQY-OSFYFWSMSA-N	311.426	1.403	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc3ccn(C)c3c2)nn1	783950433	NKCQLHUATAMNGO-UHFFFAOYSA-N	324.344	1.359	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](C)c2c(C)nn(C)c2C)nc1	781527287	DULSQIMVZTZEPC-VIFPVBQESA-N	303.366	1.687	50	20	DDGD	
COc1ccccc1C(=O)NNc1ccccc1S(N)(=O)=O	788223789	NPAAMYRDYAJNSB-UHFFFAOYSA-N	321.358	1.100	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C2(SC)CC2)cc1	789902238	LXUDANYOYSKRQK-UHFFFAOYSA-N	309.391	1.150	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NC[C@H](O)c1cccnc1	787454448	PIXNFUYTKRUVMH-VCHSTOLQSA-N	309.325	1.544	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@H](C)[C@@H](O)CC)cc1OC	899958536	VMAYFUMGRJRANT-PWSUYJOCSA-N	324.377	1.262	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@@H]2CCN(C)C2=O)cc1	782451278	OJJQJGDWDAGBRN-VSKPTYQZSA-N	314.341	1.766	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(-c2ccccc2OC)on1	780708901	MMVMUAITRBKSKE-UHFFFAOYSA-N	318.333	1.656	50	20	DDGD	
CC[C@@]1(C)CN(CC(=O)NNC(=O)c2ccc(C)cc2)CCO1	785493344	RTBZPHAJDASEKB-KRWDZBQOSA-N	319.405	1.257	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cc(C)nc(O)c2)c1	780796500	CHPGTSKVOLGHDG-UHFFFAOYSA-N	301.302	1.639	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1C=NNC(=O)N[C@H]1CCS(=O)(=O)C1	783832533	RBEXFOMBTZRHQN-UTUOFQBUSA-N	301.412	1.285	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ccc(C#N)cn1)N1CCCC1=O	899663422	FBAXQHMQSGLBQA-AWEZNQCLSA-N	301.350	1.043	50	20	DDGD	
Cc1nnc(NNC(=O)c2ccccc2CC(C)C)nc1O	792216267	TUMMQYXQAOAHKE-UHFFFAOYSA-N	301.350	1.841	50	20	DDGD	
C[C@@H]1CCC[C@@H]1CNC(=O)NNC(=O)COCc1ccccc1	798512514	LJPWTGNRWVKJNR-UKRRQHHQSA-N	319.405	1.970	50	20	DDGD	
CC[C@@H](C)CC[C@@H](O)CC(=O)NNC(=O)c1cccc(C#N)c1	793417561	BQIAPAUIFUYYGU-IUODEOHRSA-N	317.389	1.897	50	20	DDGD	
COc1cccc2c1CCCC2=NNC(=O)C(=O)N1CCCC1	799479141	KEKLYGJCYLQDIS-UHFFFAOYSA-N	315.373	1.474	50	20	DDGD	
CSCCONC(=O)NNC(=O)c1cccc2ncccc12	793255209	NUXFBAGPUJRKLO-UHFFFAOYSA-N	320.374	1.473	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)c1c(C)nc2ccccn12	794897848	XAYVNVKOTSUNLH-HNNXBMFYSA-N	304.350	1.219	50	20	DDGD	
COc1cc(NNC(=O)[C@@H](OC)c2cnn(C)c2)ccc1Cl	799004923	ICNWPBHAKUGETM-ZDUSSCGKSA-N	324.768	1.913	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@H]1CCC[C@@H](OC)C1	796057416	UAJNYFOIVOCZIN-SDDRHHMPSA-N	314.382	1.071	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2cc[n+]([O-])cc2)c1	1317705181	TYSBNHSLTDXGKV-UHFFFAOYSA-N	302.359	1.260	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1ccc(OC)c2ccccc12	1318902982	NPCMKYXNUWKEHM-UHFFFAOYSA-N	300.314	1.862	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CC(C)C)cnn1-c1ccncc1	1319568606	WHXLPQOAFIOBOZ-UHFFFAOYSA-N	301.350	1.383	50	20	DDGD	
CCN(C(C)=O)c1nc(/C=C(/C#N)C(N)=C(C#N)C#N)cs1	1317728801	JRFIBYBZHZKZAB-WMZJFQQLSA-N	312.358	1.683	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H](C)Cc2cnc[nH]2)cc1	1327066787	FQECEQJMNBMMCJ-SNVBAGLBSA-N	302.334	1.058	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NC/C=C/C2CC2)cc1	1324643135	CURRZQAHNGMIOV-NSCUHMNNSA-N	317.389	1.924	50	20	DDGD	
COC(=O)C(C)(C)CC=NNC(=O)c1n[nH]c2c1CCCC2	1324925082	PDJFYAYOPCJAIE-UHFFFAOYSA-N	306.366	1.593	50	20	DDGD	
Cc1nnc(O)c(CNC(=O)[C@]2(C)C[C@H]2Br)c1C	1333254796	XKXHWGVQVVVONO-BXKDBHETSA-N	314.183	1.589	50	20	DDGD	
CCC(CC)[C@H](CCNC(=O)NNC(=O)c1cn[nH]c1)OC	1334930159	JGUWVNOVORXOFX-LBPRGKRZSA-N	311.386	1.195	50	20	DDGD	
CC(C)[C@H](NC(=O)NNc1ccc(F)cn1)c1cnn(C)c1	1342458288	PQDWCYIWWMTNBY-ZDUSSCGKSA-N	306.345	1.978	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1CCN(c2ccc(C)cc2)C1=O	1349355211	CTWYYEIHSSWVMX-LBPRGKRZSA-N	320.349	1.013	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H]1[C@@H](C)C1(F)F	1520729762	XNYJWKGADZMPBA-XCBNKYQSSA-N	315.345	1.914	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@H]1CC[C@H]1C(=O)O)c1ccccc1	1603238357	VLNSTLOBVAGDNX-NWDGAFQWSA-N	304.346	1.222	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc(C(=O)O)no1	1600309940	HFFDPSWKSASUHH-UHFFFAOYSA-N	312.285	1.986	50	20	DDGD	
O=C(O)Cc1cccc(S(=O)(=O)NCC(Cl)Cl)c1	1602142364	YQYZWJOQWVFLMF-UHFFFAOYSA-N	312.174	1.396	50	20	DDGD	
Cc1cc(NNC(=O)Nc2ccc(C)c(C(=O)O)c2)nc(N)n1	1607695380	FVZSTQWDIUBGCN-UHFFFAOYSA-N	316.321	1.522	50	20	DDGD	
CCc1oc(/C=C(\C#N)C(=O)N[C@@H](C)COC)cc1C(=O)O	1605889708	XXTPSHBYIKQHLZ-UMYFRRCYSA-N	306.318	1.598	50	20	DDGD	
Cc1ncc(NC(=O)NNc2ncncc2F)cc1C(=O)O	1600743541	JMHLEEVVWOVZDC-UHFFFAOYSA-N	306.257	1.166	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@H](Oc1ccc(F)cc1)C(=O)O	1605618543	LSCICBDYYJHTIK-XPSMFNQNSA-N	322.292	1.218	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@H]1C(=O)NN=Cc1ccns1	1549318246	XIIJNCCWKZLOAR-NEPJUHHUSA-N	319.390	1.495	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)CC[C@@H]2CCCNC2)c1	1578427018	LHHDBTIVBQWAKM-ZDUSSCGKSA-N	318.421	1.293	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H]2CCC[C@H]2N)cc1	1575272855	RFCOSXYQUBBMPD-UONOGXRCSA-N	303.406	1.873	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2C[C@H]3CC[C@H]2NC3)c1F	1578878528	ZXWQJPCPJLUHQT-YUSALJHKSA-N	321.352	1.444	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H](N)c1ccccc1C	1578881326	ZKMOVBWNTJSVMW-OAHLLOKOSA-N	313.357	1.925	50	20	DDGD	
COC[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843362509	YWVUKVXBLMQBAZ-ZJUUUORDSA-N	306.765	1.007	50	20	DDGD	
CC(C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)=C1CCC1	1589000099	TWNSOSVELPYHEP-UHFFFAOYSA-N	312.333	1.128	50	20	DDGD	
Cn1ccc(C(=O)N2CCCC23CN(C(=O)[C@H](F)Cl)C3)c1	1842344964	COTLJLWVUUFXFS-NSHDSACASA-N	313.760	1.377	50	20	DDGD	
O=C(C(Cl)Cl)N1CC2(CCCN2C(=O)C2=COCC2)C1	1846710269	DCPBKVCDYWHRRY-UHFFFAOYSA-N	319.188	1.298	50	20	DDGD	
C[C@@H]1[C@H](C(=O)O)CCN1C(=O)NC[C@]1(C)C[C@@H]1Br	1594151823	ZKYKLFRTQQCYFW-XBWDGYHZSA-N	319.199	1.665	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@@H]1Cc2ccc(F)cc21	1595262149	SBOWNDZGDPAQBI-GFCCVEGCSA-N	301.277	1.702	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)c1ccc(-c2nn[nH]n2)cc1	1593168176	YMPMUQALSTYXIY-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)O	1596864356	SEASSCUHKKOOPV-XDPMZMSMSA-N	316.357	1.799	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)c1ccccn1	1593162427	VNYUMBUXMLVAIF-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)O)c(F)c1)c1ccc(CO)o1	1776097267	VIWPDHVNHIHFQW-UHFFFAOYSA-N	306.249	1.373	50	20	DDGD	
CN(C)CCNC(=S)NNC(=O)C12CC3CC(CC(C3)C1)C2	16271245	GXBUOUQIHQVTPW-UHFFFAOYSA-N	324.494	1.260	50	20	DDGD	
CCc1ccccc1NC(=O)C(=O)NNC(=O)c1cccnc1	160621514	UWRKABQZXCIAOL-UHFFFAOYSA-N	312.329	1.044	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc([N+](=O)[O-])cc2C)[nH]n1	163161144	HTLUUNRNMFTVPF-UHFFFAOYSA-N	318.293	1.401	50	20	DDGD	
N[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)NNc1ncnc2ccsc12	151492571	KWJYYCWRTREUMJ-MKHNBGRSSA-N	303.391	1.508	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(-c3ncn(C)n3)cc2)nc1	159494029	ZCAFGNZVFZMVDY-UHFFFAOYSA-N	324.344	1.643	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)OC(C)(C)C	61475576	BXCVFYQKTURSQN-UHFFFAOYSA-N	303.359	1.457	50	20	DDGD	
CN(C(C)(C)C(N)=O)S(=O)(=O)c1ccc(CCCl)cc1	831717057	DAHURWKFVXQWED-UHFFFAOYSA-N	318.826	1.352	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Cc2c(C)nn(C)c2C)cc1	10131767	JSQOZZPKBUJGLQ-UHFFFAOYSA-N	314.389	1.603	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)CNc1ccccc1)c1ccccc1	104831014	WFEWUEGSURBDQB-MRXNPFEDSA-N	313.357	1.634	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1ccc(OCC(C)C)cc1	106928992	IWWMKIOBTVISRO-UHFFFAOYSA-N	321.446	1.945	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=O)Cc2cccnc2)cc1	103424940	DRQRBZRMSYKISJ-UHFFFAOYSA-N	312.329	1.044	50	20	DDGD	
CCC1CC(=O)C(=CNNC(=O)Cc2cccnc2)C(=O)C1	170903541	XZNRVXXZRWIDQC-UHFFFAOYSA-N	301.346	1.087	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCCOc1cccc(C)c1	65208328	FQTVMTIABIIAJN-UHFFFAOYSA-N	323.393	1.521	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CCNC(=O)c2cccs2)n1	22234790	YDISVPDIDGQWHG-UHFFFAOYSA-N	319.390	1.418	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C[C@@H](O)c2cccc(F)c2)n1	179639432	FHCDBWLQHIRRMW-CYBMUJFWSA-N	304.325	1.799	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)CC[C@@H]1CCOC1	176140593	PQAKZFVPSBVDJE-GFCCVEGCSA-N	306.362	1.289	50	20	DDGD	
CCCOc1cccc(CC(=O)NNC(=O)c2ccncc2)c1	119670464	WBAADELVMQZAAT-UHFFFAOYSA-N	313.357	1.874	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cc(F)ccc1O	175226488	WAZRLKFNRQQJLJ-UHFFFAOYSA-N	304.277	1.615	50	20	DDGD	
CN(C)N(C(=O)CC1CCCCC1)[C@@H]1CCS(=O)(=O)C1	69641377	WOLCUGGMPWWQQV-CYBMUJFWSA-N	302.440	1.449	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccc(-n3cnnn3)cc2)cc1	178933524	RCQXNBABPLRTPV-UHFFFAOYSA-N	305.301	1.291	50	20	DDGD	
CCNC(=O)NNC(=O)CCCOc1ccc(F)cc1F	67236774	PERJEQWSTVBJJQ-UHFFFAOYSA-N	301.293	1.474	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CSc2ccc(F)cc2)cn1	117683515	SFVBXTMRBYKJML-UHFFFAOYSA-N	308.338	1.113	50	20	DDGD	
CC(C)Oc1cccc(C(=O)NNC(=O)Cc2ccncc2)n1	119230155	WLMKMZBVDPLBTH-UHFFFAOYSA-N	314.345	1.268	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1csc([N+](=O)[O-])c1)C1CC1	175531662	WDFXOPLEQCRDHQ-ZCFIWIBFSA-N	314.392	1.564	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@@H]1CCC[C@H](C(F)(F)F)C1	404935798	HVXLUBNOHHGHAQ-ZJUUUORDSA-N	315.100	1.674	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1sccc1OC	67430449	DWUNDRMRQDKYOV-UHFFFAOYSA-N	306.343	1.840	50	20	DDGD	
Cn1c(NNC(=O)CC[C@@H]2CCCO2)nc2ccccc2c1=O	113186567	NJERVCIQBCEXJE-NSHDSACASA-N	316.361	1.336	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	178005293	XNHLFEZNWVSBTI-KCJUWKMLSA-N	320.374	1.324	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNC(=O)NCCc1cccs1	65201481	WWRPEUZXAJZRTQ-UHFFFAOYSA-N	321.406	1.285	50	20	DDGD	
Cc1cc2c(cc1C)O[C@@H](C(=O)NNc1ncnc3nc[nH]c13)C2	173934808	JCNULMNQWNOYDQ-GFCCVEGCSA-N	324.344	1.417	50	20	DDGD	
CCC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	75563717	UUUIQUCYMXSKJD-NSHDSACASA-N	305.378	1.826	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O	182517904	XMRNJZUWIHXZFZ-YUMQZZPRSA-N	320.246	1.121	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cc2ccccc2cc1O	70871110	AGEFFFIKKJYNJY-UHFFFAOYSA-N	314.341	1.733	50	20	DDGD	
COc1cccc(NNC(=O)NCCN2CCC(C)CC2)n1	181020087	ZBHXQABXZNBMOH-UHFFFAOYSA-N	307.398	1.448	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)c1ccnc(F)c1	127199095	BEXLZOLUTMMGOB-UHFFFAOYSA-N	303.293	1.451	50	20	DDGD	
COc1cc(C)sc1C(=O)NNC(=O)CNc1ccccc1	73067456	FPRUQGMNFCNECI-UHFFFAOYSA-N	319.386	1.938	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNC(=O)CCCc1ccccc1	75571949	IQZJKZVUSVDXGT-UHFFFAOYSA-N	319.405	1.319	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C[C@H]2CCCO2)c1C	46765042	BSMHVLFNCUAXAM-UONOGXRCSA-N	320.389	1.787	50	20	DDGD	
CCNC(=O)NNC(=O)COCc1nc2ccccc2s1	139245721	PVJZZBIYBRVUGB-UHFFFAOYSA-N	308.363	1.163	50	20	DDGD	
Cc1cc2c(cc1C)[C@H](C(=O)NNC(=O)c1ccncc1)CO2	184712330	PMHSZXZKTHJIIT-CQSZACIVSA-N	311.341	1.636	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN(C)CCC(C)C	136615568	SLDJJHZAWPQPGH-UHFFFAOYSA-N	305.422	1.663	50	20	DDGD	
CCOC(=O)[C@H](Cc1ccccc1)NNC(=O)c1ccc[nH]1	187343266	IPUQTYMYXQHROM-AWEZNQCLSA-N	301.346	1.424	50	20	DDGD	
O=C(NNC(=O)c1cccnc1OCC(F)F)c1ccccc1	89598785	MXMCWQFBNZTZJI-UHFFFAOYSA-N	321.283	1.800	50	20	DDGD	
C[C@@H]1CCCC[C@H]1NCC(=O)NNC(=O)c1ccc(F)cc1	194668934	SITVOLDQKIZLTM-BXUZGUMPSA-N	307.369	1.755	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NCC=C(C)C	190683915	JENPLRXZNPKJBT-UHFFFAOYSA-N	305.378	1.924	50	20	DDGD	
C=CCN(CC(=O)OCC)C(=O)/C(C#N)=C\c1ccc(O)cc1	194808982	WPPCKKPZZZQVCS-UVTDQMKNSA-N	314.341	1.877	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C	43934965	VQRHTOOLYWJFLE-NSHDSACASA-N	321.377	1.669	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCc2ccc3ncccc3c2)cn1	194600819	QOMGULBKUUQLGK-UHFFFAOYSA-N	324.344	1.113	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccnc(Cl)c2)c(O)c1	80388165	HVUCDKKECWKETO-UHFFFAOYSA-N	305.721	1.824	50	20	DDGD	
NC(=O)c1csc(C(=O)NNC(=O)c2cccc(Cl)c2)c1	194438950	SSBSKMJLYSUFGA-UHFFFAOYSA-N	323.761	1.575	50	20	DDGD	
O=C(C#Cc1ccccc1)NNC(=O)Cn1ccc2ccccc21	81686842	UCTHLMOMDIXRMI-UHFFFAOYSA-N	317.348	1.840	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])CC1	264319720	QNNWRRQUVOPXPO-UHFFFAOYSA-N	312.713	1.218	50	20	DDGD	
CNC(=O)NNC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1	263863266	JXWSVWPKCLYFMF-LURJTMIESA-N	306.149	1.721	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCSc2ccccn2)n1	268048438	UNTHFYWVZKCOLB-UHFFFAOYSA-N	319.390	1.814	50	20	DDGD	
COCC[C@@H](C)NC(=O)NNC(=O)COc1cccc(C)c1	263683119	KULCUPYECBFACM-GFCCVEGCSA-N	309.366	1.129	50	20	DDGD	
Cc1oc(C#N)cc1C(=O)NNc1nc(-c2ccncc2)no1	366665014	JWHGGWOZVCCUSH-UHFFFAOYSA-N	310.273	1.662	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2cnn(C)c2)cnn1C(C)(C)C	265347207	SSBIEEPFONHBRO-UHFFFAOYSA-N	318.381	1.009	50	20	DDGD	
O=C(NNc1ncccc1F)[C@@H]1CCCN1Cc1ccccn1	367645162	PGSOBZPONJGAKT-AWEZNQCLSA-N	315.352	1.723	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)NC2CCCC2)sc1C	271358567	HUQYODQNYXOALB-UHFFFAOYSA-N	317.436	1.800	50	20	DDGD	
CC(C)[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2F)CCO1	271504918	LDQSLUBGJGAKNB-RISCZKNCSA-N	323.368	1.973	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2nc(C(C)(C)C)ns2)n1	274779287	JZALMXYYENHNOH-UHFFFAOYSA-N	323.382	1.783	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H]2CCn3cncc3C2)c1	362138846	SHUUGLQCYNTTKX-JTQLQIEISA-N	304.325	1.737	50	20	DDGD	
CCOC(=O)N1CC[C@H](NC(=O)NN(C)c2ccccc2)C1	274450905	ABOXKAXDEDGHRB-LBPRGKRZSA-N	306.366	1.568	50	20	DDGD	
CCC[C@H]1CN(C(=O)NNC(=O)c2cccc(C)n2)CCO1	279709529	SJVGADBIOMMGFQ-LBPRGKRZSA-N	306.366	1.245	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccc(OC(F)(F)F)c1	272687144	PLUIGGIJWPRGHC-UHFFFAOYSA-N	305.256	1.891	50	20	DDGD	
C#C[C@H](C)NC(=O)NNC(=O)c1ccc(OCCC)c(OC)c1	274853283	WEDPNGBXKNJMEL-NSHDSACASA-N	319.361	1.450	50	20	DDGD	
CC[C@H](C)Oc1cc(C(=O)NNc2nccn(C)c2=O)ccn1	272288100	UVEPDJPUDYCTBV-JTQLQIEISA-N	317.349	1.110	50	20	DDGD	
COC(=O)N(C)NC(=O)c1c(C)nn(-c2ccc(F)cc2)c1C	286192222	CZMSSMPVELMRIN-UHFFFAOYSA-N	320.324	1.971	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1OC[C@@H]2COCC[C@H]21	289599706	DJFITDAYGRQWPU-OPQQBVKSSA-N	307.306	1.089	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@H]2CCC(F)(F)C2)n1	280520893	GFEGJOMGOVXRBM-JTQLQIEISA-N	312.320	1.769	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)Cc1nc2ncccn2n1	281860063	VJFPXGSOKRFMJN-UHFFFAOYSA-N	310.361	1.681	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1	286272809	IFURQEREPSPNLG-YPMHNXCESA-N	319.361	1.326	50	20	DDGD	
COC(=O)N(C)NC(=O)CCc1ccc(OC(F)F)cc1	286302523	JYZZTFWLBJEGDV-UHFFFAOYSA-N	302.277	1.950	50	20	DDGD	
CSSCCNC(=O)Nc1ccnc(C(=O)N(C)C)c1	284773073	HVPZWXOQGCQYPC-UHFFFAOYSA-N	314.436	1.916	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cc(Br)cs1	292052095	BPIHQPMYCZBGAN-ZETCQYMHSA-N	319.180	1.451	50	20	DDGD	
COc1cccc(CO[C@@H](C)C(=O)NNc2ncncc2F)c1	293948331	IWJWBCSXUHTSDJ-JTQLQIEISA-N	320.324	1.673	50	20	DDGD	
O=C(CCc1cnc[nH]1)NNC(=O)Nc1cc(F)cc(F)c1	802003420	PXHOBKILOPLPFA-UHFFFAOYSA-N	309.276	1.473	50	20	DDGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NNc1nccnc1C1CCC1	805459113	HBNXWHJAFRMJTM-GWCFXTLKSA-N	319.409	1.738	50	20	DDGD	
CC(C)[C@H]1NCC[C@@H]1C(=O)NNc1nc(-c2ccncc2)no1	290101191	IAHWZJYMPKQQEW-NWDGAFQWSA-N	316.365	1.209	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2ccccc2C)ccn1	806664159	HAZQCIOSROOHJR-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1[nH]nnc1-c1ccccc1	801616010	BPUKRMPLYSSFBX-UHFFFAOYSA-N	301.350	1.669	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1)C1CC1	291484111	RLLNPOLYZZZPPS-ZDUSSCGKSA-N	316.361	1.240	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)c2cccc(F)n2)cc1	802123650	QNPPTEKDDMZJPT-UHFFFAOYSA-N	317.324	1.753	50	20	DDGD	
COCC1(CCNC(=O)NNc2ccc(Cl)nn2)CCC1	296711743	AHKMNUSKPINRAD-UHFFFAOYSA-N	313.789	1.963	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)c1cc(-c2ccccc2)on1)C1CC1	804194690	PESXLJANHKFJSW-INIZCTEOSA-N	315.329	1.264	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cn(-c2ccccc2Cl)nn1	294271267	UZZADDAVLUFCBD-UHFFFAOYSA-N	319.752	1.482	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1cnn(CCF)c1	807426399	NKNYEAPVCQHOLF-UHFFFAOYSA-N	300.297	1.553	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@H]1CCN2CCCC[C@H]12	298728239	KTDZXYAPUCUXAF-VHSXEESVSA-N	310.789	1.383	50	20	DDGD	
CC(C)(C)Oc1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)nc1	295381580	KSEONDVDEFPVTK-CYBMUJFWSA-N	321.377	1.589	50	20	DDGD	
CCc1nc(CNC(=O)NNc2cc(F)c(F)c(F)c2)n[nH]1	297206333	DCTRRQHMMPDTCH-UHFFFAOYSA-N	314.271	1.611	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(CN3CCCC3)on2)o1	291844778	FXPBDKXZTJEWFU-UHFFFAOYSA-N	318.333	1.247	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccc2c(c1)C(=O)OC2	808890712	JLVVXNXSVHWAJP-UHFFFAOYSA-N	315.289	1.304	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNC(=S)Nc1cccc(C)c1C	806376194	ZIUXFZQBKMAWHM-UHFFFAOYSA-N	323.418	1.963	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Nc1ncn(C)n1)c1ccccc1	297019867	JULHWLGCHIDDFM-NSHDSACASA-N	302.338	1.162	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1ccccc1F	299092217	XZGZBKQSLXADAF-ZDUSSCGKSA-N	321.352	1.378	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)Nc2ccc(Cl)cc2)n[nH]1	802017361	JANLZVMYPUUITH-UHFFFAOYSA-N	307.741	1.767	50	20	DDGD	
CCOC(=O)NCCC(=O)NNC(=O)c1cccc(Cl)c1	298426043	MTMVJEBRKNIHSK-UHFFFAOYSA-N	313.741	1.237	50	20	DDGD	
CCc1cnc(C=NNC(=O)[C@H]2COc3ccccc3O2)s1	814701208	QIMBMLMJGOFYDK-CYBMUJFWSA-N	317.370	1.996	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1csc(-c2ccccc2F)n1	816632279	BBXJRJHSQAYNAS-UHFFFAOYSA-N	304.310	1.824	50	20	DDGD	
COc1cccc2c(C(=O)NNc3cccc(F)n3)n[nH]c12	811526446	YYOPBQUOEYPEHS-UHFFFAOYSA-N	301.281	1.863	50	20	DDGD	
CCOc1ccc(C=NNC(=O)N=c2cc[nH]cc2)c(O)c1	815000677	OMQWHDGRYYJCGZ-UHFFFAOYSA-N	300.318	1.763	50	20	DDGD	
Cn1ncc(C(=O)NNc2nc3ccccc3n2C)c1C1CC1	816577483	NVNTZZJXRDCJKQ-UHFFFAOYSA-N	310.361	1.941	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cc(O)ccc1Cl	810348425	MTQAHDLIHGDWLJ-UHFFFAOYSA-N	305.721	1.444	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N(C)C[C@H]1CCCN1C	817159030	GHBKVCAKPZDRGM-GFCCVEGCSA-N	320.393	1.076	50	20	DDGD	
COc1cccc(NCC(=O)NN=C(C)c2csnn2)c1	814764172	MCGGXASCYNRYKH-UHFFFAOYSA-N	305.363	1.499	50	20	DDGD	
COC(=O)c1ccc(Cl)c(C(=O)NN(C)C(=O)OC)c1	811521557	KEFHIXBPSFHXIX-UHFFFAOYSA-N	300.698	1.470	50	20	DDGD	
CC(C)[C@@H]1CC(=NNC(=O)[C@@H]2CCS(=O)(=O)C2)CS1	814782175	SAWDMIHQCOLNLF-KOLCDFICSA-N	304.437	1.055	50	20	DDGD	
O=C(NNc1ncncc1F)c1ncc(Br)s1	817081765	JQRCCSLDHXZPKS-UHFFFAOYSA-N	318.131	1.592	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)c2cccc(C)n2)[C@]12CCCO2	819809173	ATFIWRSQRKXJLN-GDBMZVCRSA-N	303.362	1.834	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)Cc1ccc(C(F)F)cc1	815033890	WVNQUCZYJFVARW-UHFFFAOYSA-N	321.349	1.620	50	20	DDGD	
Cn1c(NNC(=O)CCOC[C@H]2CCCO2)nc2ccccc21	816579163	HGIDPXHFCASUQJ-GFCCVEGCSA-N	318.377	1.602	50	20	DDGD	
COC1([C@H](C)NC(=O)NNC(=O)CC(C)(C)C)CCOCC1	817177381	FVQKFWACJWNZQX-NSHDSACASA-N	315.414	1.337	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)CCCCN(C)C	729511323	FSSCUDDUHKZPHT-UHFFFAOYSA-N	317.393	1.136	50	20	DDGD	
CCN(CCO)NC(=O)c1csc(Cc2cccc(F)c2)n1	823874197	NUUIQYQUMBRLTE-UHFFFAOYSA-N	323.393	1.832	50	20	DDGD	
C[C@@H]1Oc2c(cccc2C(=O)NNC(=O)C2CCCC2)NC1=O	729315223	IACMLIHEEKUAPV-VIFPVBQESA-N	317.345	1.357	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1cccnc1	824065233	XGKSUDWFKMOIQS-UHFFFAOYSA-N	323.360	1.683	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1	490979738	YZAQRTFFWUDOLM-CMDGGOBGSA-N	315.289	1.531	50	20	DDGD	
CCCN1CCC[C@H](C(=O)NNC(=O)c2ccccc2C)C1	822921203	OVIDYWZSIZTLSX-AWEZNQCLSA-N	303.406	1.878	50	20	DDGD	
O=C(C#Cc1ccccc1)NNc1cccc(-c2nn[nH]n2)c1	826396706	IUWBBVXANTUKDD-UHFFFAOYSA-N	304.313	1.362	50	20	DDGD	
CCOC(=O)N[C@H](C(=O)NNC(=O)c1ccc(C)o1)C(C)C	493116204	UQFGEAVSIIGCRN-NSHDSACASA-N	311.338	1.120	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCCCC(=O)OC(C)(C)C)cn1	491162925	UPHJCMHLCAOBBV-JYRVWZFOSA-N	318.377	1.565	50	20	DDGD	
CC(C)[C@@]1(C)C[C@H]1C(=O)NNC(=O)CNC(=O)OC(C)(C)C	495508096	BMYBDDZGEAQEDR-ZUZCIYMTSA-N	313.398	1.341	50	20	DDGD	
CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)NN(C)C(N)=O	494433261	DTOVUQWLUPXRBG-CYBMUJFWSA-N	302.375	1.112	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccc(B(O)O)cc2)CCCc2ccccc21	584969060	AMXULVVGYVTBRM-IBGZPJMESA-N	323.201	1.390	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)nc1C	827945676	ZGZCTVHWCMNIKH-SDDRHHMPSA-N	318.377	1.841	50	20	DDGD	
Cc1sc(CNCc2ccc(B(O)O)cc2F)nc1C(C)C	585019720	GOMLPLCBVZXJHV-UHFFFAOYSA-N	322.214	1.684	50	20	DDGD	
CC(C)[C@H](C(=O)NN(C)C(N)=O)[C@@H](C)NC(=O)OC(C)(C)C	497083387	MQHMGBBNFNRKBP-ZJUUUORDSA-N	316.402	1.214	50	20	DDGD	
CNC(=O)NNC(=O)C1(CNC(=O)OC(C)(C)C)CCCC1	493355909	GZUBPHPYSFZBSY-UHFFFAOYSA-N	314.386	1.032	50	20	DDGD	
CC(=O)N1CCC(NC(=O)[C@@]2(C)C[C@@H]2Br)CC1	905327692	QHVCQNGXNUTQDA-JQWIXIFHSA-N	303.200	1.287	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C	823959191	CYARMAAFSHFCTQ-VXGBXAGGSA-N	315.414	1.120	50	20	DDGD	
CCCN(NC(=O)c1cnc(N(C)C)cn1)C(=O)OC(C)(C)C	495826751	HVHFVHQPVKNYGN-UHFFFAOYSA-N	323.397	1.835	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@H](C)[C@H]1CCCN(C(=O)OCC)C1	495487785	QOJLPQHKQIKZOF-IJEMZBSNSA-N	323.393	1.804	50	20	DDGD	
Cc1cccc2c1OCC[C@@H]2NCc1ccc(B(O)O)cc1F	585037718	HTFWGMBUCDDQNU-INIZCTEOSA-N	315.153	1.427	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CCOc1ccccc1)c1cnccn1	906460387	UAZSOFQAGGFEEB-GFCCVEGCSA-N	314.345	1.197	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cnn(CC3CCC3)c2)n1	901150390	ZAYRVAMJNWLVET-UHFFFAOYSA-N	314.393	1.647	50	20	DDGD	
CCOc1ccccc1OCCCC(=O)N1CC[C@@H](B(O)O)C1	585074557	NISSXFJZCNDKEX-CYBMUJFWSA-N	321.182	1.320	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(CN2CCOC2=O)cc1	495269887	ICKZBAUODOSWJU-UHFFFAOYSA-N	306.322	1.202	50	20	DDGD	
COc1ccc(N(C)CC(=O)NNC(=O)C(C)C)cc1Cl	828041284	RCGCPAALIJDXIP-UHFFFAOYSA-N	313.785	1.588	50	20	DDGD	
CNC(=O)CNC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	490610612	JWLISGKEQDKWBL-VIZOYTHASA-N	316.405	1.530	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2C[C@@H]3c4ccccc4CC[C@@H]32)c1	585049435	GQUDRPKSFUVJTQ-IPMKNSEASA-N	307.202	1.575	50	20	DDGD	
CC(C)c1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cc1[N+](=O)[O-]	585064097	MMEWFFJOFPPYQU-LLVKDONJSA-N	306.127	1.407	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCCCC1(F)F	837825627	SFAKTRPHNPSPAT-RKDXNWHRSA-N	306.309	1.301	50	20	DDGD	
CN1CCN(S(=O)(=O)CCl)C[C@@H]1Cc1ccccc1	831425594	IAWORRRXXGIGCJ-ZDUSSCGKSA-N	302.827	1.371	50	20	DDGD	
Cc1nc2cc(F)cc(C(=O)N3CC[C@H](B(O)O)C3)c2nc1C	585069236	JXNCDXYWHZQMNM-JTQLQIEISA-N	317.129	1.075	50	20	DDGD	
CC(=NNC(=O)[C@H](C)Oc1cccc(Cl)c1)c1cnn(C)n1	834979002	YSODMSWEPIYUSK-JTQLQIEISA-N	321.768	1.776	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCc1cccc2cccnc12	731279954	BAEVZPCCHVNGQA-UHFFFAOYSA-N	316.361	1.144	50	20	DDGD	
O=C(C[C@@H]1CCC(=O)N1)NNc1ccc(OC(F)(F)F)cc1	830791449	IVONAMCCPVHDTB-VIFPVBQESA-N	317.267	1.697	50	20	DDGD	
CCC[C@H](C)NC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836196187	FIPZFGCVAWODIS-VIFPVBQESA-N	308.338	1.940	50	20	DDGD	
O=C1CN(S(=O)(=O)CCl)CCN1c1cccc(F)c1	831115807	OMPAENBDBMHLAT-UHFFFAOYSA-N	306.746	1.000	50	20	DDGD	
OB(O)c1ccc(CNC2CCC(N3CCCCC3)CC2)cc1	585026278	KEXIERWREAZOQR-UHFFFAOYSA-N	316.254	1.253	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CNCC(F)(F)F)c1F	837059928	AJOBZWATHJVWFM-UHFFFAOYSA-N	323.246	1.207	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNc1nccnc1C1CCC1	839764687	GDGAUXIFEOPSKN-LLVKDONJSA-N	306.366	1.777	50	20	DDGD	
Cc1ccc(O)c(C(=O)NNc2ccccc2S(C)(=O)=O)c1	732303998	POIJCUSLWCVJOX-UHFFFAOYSA-N	320.370	1.861	50	20	DDGD	
C[C@@]1(C(=O)NNc2nc(-c3ccncc3)no2)CCCCO1	837388602	RIPNYRFFJHYSJX-AWEZNQCLSA-N	303.322	1.534	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2[nH]c(C)c(C(=O)O)c2C)n1	831972071	DRYUYKMXYMQNNF-UHFFFAOYSA-N	319.321	1.194	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCN2CCOCC2)cc1	837323190	IDDVSADHDKQNSW-UHFFFAOYSA-N	308.382	1.044	50	20	DDGD	
CCCCNC(=O)NN=Cc1ccccc1OCC(=O)OC	901173087	PWPRQLCPYSBCBA-UHFFFAOYSA-N	307.350	1.672	50	20	DDGD	
C[C@H]1C[C@@H](C)N(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	839495659	TZBRRQDTSUTDOU-WDEREUQCSA-N	320.349	1.086	50	20	DDGD	
O=S(=O)(CCl)NCc1ccccc1N1CCOCC1	830160780	IHMPJQPMHQRUNU-UHFFFAOYSA-N	304.799	1.139	50	20	DDGD	
O=C([C@@H]1CCC[C@@H]1Cc1ccccc1)N1CC[C@@H](B(O)O)C1	585066962	OOOLQDOMLIOHBV-BZUAXINKSA-N	301.195	1.721	50	20	DDGD	
OB(O)c1cccc(CNC[C@H]2CCCC[C@H]2C(F)(F)F)c1	585031048	OWYUIHPDWKZORT-TZMCWYRMSA-N	315.144	1.825	50	20	DDGD	
Cc1ccn(-c2ccc(C(=O)NNC(=O)c3cccn3C)cc2)n1	915619795	PJVGTBHSBNVXGX-UHFFFAOYSA-N	323.356	1.594	50	20	DDGD	
O=C(/C=C/c1ccc(Cl)cc1)NNC(=O)CN1CCCC1=O	913730297	PRGVRFXQMLEXIY-VMPITWQZSA-N	321.764	1.123	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@](C)(O)C2CC2)c(F)c1	837207399	MTBAGRAZUCQAGB-HNNXBMFYSA-N	310.325	1.607	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2cccc3ncccc23)CCCCO1	837400657	MRGFCIUDOZFDKS-QGZVFWFLSA-N	313.357	1.955	50	20	DDGD	
CC(=NNC(=O)CC(F)(F)F)c1ccc2c(c1)NC(=O)CO2	917551836	YKXQSVOVNBXVOU-UHFFFAOYSA-N	315.251	1.810	50	20	DDGD	
C=C[C@](C)(O)C(=O)NNc1nc2ccc(OC)cc2cc1C	831806633	LBTDUPNLFPJZCN-INIZCTEOSA-N	301.346	1.932	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1cccc(C(=O)O)c1)C1CCCC1	833395073	KUKAZCXXBKJAPO-CQSZACIVSA-N	319.361	1.523	50	20	DDGD	
CC[C@](C)(CNC(=O)NNC(=O)c1cccc(C#N)c1)OC	836275957	CKPFUAWGCOZEPW-OAHLLOKOSA-N	304.350	1.317	50	20	DDGD	
COc1ccc(OC)c(C(=O)NNc2ccnc(N(C)C)n2)c1	740105112	XWHGAUGNZSRMMD-UHFFFAOYSA-N	317.349	1.317	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NN=C1CCNC(=O)CC1	834929545	DZNHGQADOQFMBM-JTQLQIEISA-N	307.325	1.365	50	20	DDGD	
Cc1ncsc1C(=O)NN[C@@H](C(=O)O)c1cccc(C#N)c1	833010567	QKHYMJKKATXELI-LLVKDONJSA-N	316.342	1.384	50	20	DDGD	
COCCOc1cccc(C(=O)NNC(=O)c2ccncc2)c1	919676630	JYKJOPDBUOBJTD-UHFFFAOYSA-N	315.329	1.182	50	20	DDGD	
C[C@@]1(C(=O)Nc2ccnc(OCCO)c2)C[C@@H]1Br	912718337	FCCLFQAROKNEPT-JOYOIKCWSA-N	315.167	1.565	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1cc(F)cc([N+](=O)[O-])c1	743473475	PYCHRWUWHNUMIL-UHFFFAOYSA-N	317.240	1.157	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)CC(F)(F)F)cc1F	918000692	NYOLTESANZQBQE-UHFFFAOYSA-N	307.247	1.917	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc(-c2ccco2)nc1O	743900906	OMOYNVTZNKSCJQ-UHFFFAOYSA-N	316.317	1.401	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C(C)(C)Oc1ccc(F)cc1	843649811	XQQDDXKXOBAARD-MFKMUULPSA-N	324.352	1.556	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](C)COCC1CC1	845577685	QIBSOSSDXWIJRV-LBPRGKRZSA-N	305.378	1.754	50	20	DDGD	
CC/C=C(\C)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1	744548338	OBRKXSWHWQTWGA-VZUCSPMQSA-N	315.329	1.219	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cccc(Oc2nccs2)c1	910161907	AANVMGFCFBAKQS-JTQLQIEISA-N	307.375	1.893	50	20	DDGD	
N#CCCn1cc(C=NNC(=O)C(=O)NC2CC2)c2ccccc21	744827477	JSHSYMNNALQVLR-UHFFFAOYSA-N	323.356	1.284	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)c2cc(-c3ccccc3)on2)C1	843759109	HRSBHOGEERAKEF-LLVKDONJSA-N	313.313	1.472	50	20	DDGD	
CN(CC(=O)NNC(=O)C(C)(C)C)[C@@H](CCO)c1ccccc1	744411465	FEKWEVIAKLGKON-AWEZNQCLSA-N	321.421	1.235	50	20	DDGD	
C[C@@H](CC(=O)NNc1ncnc2[nH]cnc12)C(=O)c1ccccc1	743471373	DEVFRQMVPZCTLR-JTQLQIEISA-N	324.344	1.705	50	20	DDGD	
CCC(CC)n1nc(C)cc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843661954	OWIHWYSPAZEYHP-DGCLKSJQSA-N	322.409	1.739	50	20	DDGD	
CCc1ncncc1C(=O)NNC(=O)COc1ccccc1F	916108756	YELKJCXKAPGAPE-UHFFFAOYSA-N	318.308	1.018	50	20	DDGD	
CCN1C[C@@H](CNC(=O)/C(C#N)=C/c2ccc(F)cc2)CC1=O	846462200	DVVOHOJLTTYITH-PFLCFFIHSA-N	315.348	1.717	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1ccc2c(c1)CC(=O)N2	842554002	HYVFIDPEVWIIJK-MFKMUULPSA-N	301.346	1.446	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1ccc(OC)cc1O	748253634	PMHLKCUCYKIRLM-NSHDSACASA-N	310.350	1.293	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(OC(F)F)c(Cl)c1	910181542	CGVIADZLUYZETM-SSDOTTSWSA-N	308.712	1.899	50	20	DDGD	
CC(C)c1ncc(S(=O)(=O)NNC(=O)C2CCCC2)[nH]1	747608700	NKHSDNJHNDZVPS-UHFFFAOYSA-N	300.384	1.033	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)[C@@H]2CCc3nnnn3CC2)c1	845855108	UZNRHPSKPOODNV-GFCCVEGCSA-N	300.366	1.386	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1F)[C@@H]1CCCS(=O)(=O)C1	845855105	UYKIQULHDUHLOD-SSDOTTSWSA-N	322.308	1.372	50	20	DDGD	
COC(=O)c1coc(CNC(=O)[C@@]2(C)C[C@@H]2Br)n1	911896134	BKBILZVUCXHYAT-CPCISQLKSA-N	317.139	1.251	50	20	DDGD	
CNC(=O)c1ccc(C(=O)NNc2cc(F)c(F)c(F)c2)cn1	746703302	PPRBTXRQDIONPT-UHFFFAOYSA-N	324.262	1.615	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCSc2ccccc21	843652502	JSUXZMQNWCRTBV-DMDPSCGWSA-N	320.414	1.838	50	20	DDGD	
CC(C)Oc1cccc(CC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	843647350	MIARGKBLXOXTES-SWLSCSKDSA-N	320.389	1.589	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(F)cc2cccnc12	843658551	FEXURAZJQYIRCH-CABZTGNLSA-N	317.320	1.560	50	20	DDGD	
CCOc1cccc(NC(=S)NNC(=O)CCN(C)C)c1	742978227	RHIVDUSCWRUXFR-UHFFFAOYSA-N	310.423	1.355	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=CC(C)(C)NC(=O)OC(C)(C)C	842560607	NARRPBKWRTWLGF-QWRGUYRKSA-N	313.398	1.817	50	20	DDGD	
Cn1cc(/C=C\C(=O)NNC(=O)NCCc2cccs2)cn1	920860349	TVACQPRRBIFVTD-PLNGDYQASA-N	319.390	1.068	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1ccc(CC(=O)O)cc1	920830026	PLSDNLYYEFIKKM-UHFFFAOYSA-N	307.350	1.373	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cnc2n1CCCCC2	856742989	APDNFZFGTMJSJQ-UHFFFAOYSA-N	301.350	1.023	50	20	DDGD	
CCC[C@H](C(=O)NN(C)C(=S)NCCCOC)C(C)C	854283067	GICZOXBSDXUSQT-LBPRGKRZSA-N	303.472	1.933	50	20	DDGD	
Cn1ncc(Cl)c1C(=O)NNC(=O)OCC(F)(F)F	856026735	JTBJNIHUMHVZTA-UHFFFAOYSA-N	300.624	1.007	50	20	DDGD	
COc1cc(C)cnc1C(=O)NNc1ncccc1[N+](=O)[O-]	754254372	SHHJUVYUBZUSSF-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
CCOc1ccccc1C(F)(F)C(=O)NNC(=O)C(C)C	753391478	GICTYASKWRJMGE-UHFFFAOYSA-N	300.305	1.981	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNc1ccc(Br)cc1	920441686	PPSWRMDGUORIID-QMMMGPOBSA-N	314.183	1.807	50	20	DDGD	
O=C(NN=Cc1ccc(O[C@H]2CCOC2)cc1)c1cnccn1	853287405	WKKKCNQESSRWDF-AWEZNQCLSA-N	312.329	1.408	50	20	DDGD	
CO[C@H](C=NNC(=O)c1cncc(NC(C)=O)c1)C1CCCC1	853323097	PHWCPHLJUUFWPG-OAHLLOKOSA-N	318.377	1.961	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@H](C)[C@@](C)(CO)C1	856249357	WHNCCUYFRITJSY-ZUZCIYMTSA-N	313.829	1.829	50	20	DDGD	
CO[C@H](CNC(=O)NNc1nc(C)cc(C)n1)C1CCCC1	852654120	FWHXPGSUQUKEAI-CYBMUJFWSA-N	307.398	1.925	50	20	DDGD	
Cn1ncc(C2CC2)c1C=NNC(=O)c1cccc([N+](=O)[O-])c1	853254810	HISDNIKFSNPSAC-UHFFFAOYSA-N	313.317	1.970	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=S)NCC(F)(F)F)cc1	750973839	LBLIHZLUWWEJOA-UHFFFAOYSA-N	320.340	1.465	50	20	DDGD	
COC(=O)NCCCC(=O)NC[C@@]1(C)C[C@@H]1Br	857396455	CGDVOBVBWLECQV-GZMMTYOYSA-N	307.188	1.412	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2[C@H]3CCC[C@H]2CC3)cc1	752344807	HQKTUODEFKBYEK-GJZGRUSLSA-N	301.390	1.773	50	20	DDGD	
Cc1nn(C)c(C)c1CCC(=O)NNc1ncc(Cl)cn1	857355657	HZFARYUOMFZHCS-UHFFFAOYSA-N	308.773	1.556	50	20	DDGD	
CC(C)CN(C)S(=O)(=O)NC[C@@]1(C)C[C@H]1Br	856755042	RLCNDSHIPNKNED-NXEZZACHSA-N	313.261	1.582	50	20	DDGD	
Cc1cc(=NC(=O)NNC(=O)c2ccc(Cl)nc2)c(C)c[nH]1	757810661	NSGIWXUFQPHPSU-UHFFFAOYSA-N	319.752	1.635	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2[C@H]3c4ccccc4C[C@H]32)n1	858148641	FSBWSPWUBIOOPM-HYVNUMGLSA-N	324.384	1.233	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)c1cnc2[nH]nnc2c1	755518756	YIXJDNXCCLGLME-UHFFFAOYSA-N	312.318	1.115	50	20	DDGD	
CCn1ccnc1C=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1	755587973	MFQDCBZUEDTAGO-MELADBBJSA-N	321.425	1.098	50	20	DDGD	
CC(C)Cn1cccc(C(=O)NNc2ncccc2F)c1=O	935918258	MYNFMTZAUJUMLF-UHFFFAOYSA-N	304.325	1.795	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	864494002	QMVOHMCIKFYDPC-SNVBAGLBSA-N	312.341	1.556	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC[C@H](n2cncn2)C1	867131772	NASRPHMOUPOABL-JTQLQIEISA-N	306.819	1.120	50	20	DDGD	
COc1cc(C(=O)NNC(=S)Nc2ccccn2)ccc1F	768578080	ADNGFGYIXNVUAU-UHFFFAOYSA-N	320.349	1.861	50	20	DDGD	
CC(C)O[C@]1(CS(=O)(=O)NCC(Cl)Cl)CCOC1	867468598	LFJCPIYDHNVUEB-SNVBAGLBSA-N	320.238	1.294	50	20	DDGD	
CCCCn1ncc(NC(=O)C(=O)NNC(=O)CC(C)C)c1C	763881456	GASDVKJYCYUYCZ-UHFFFAOYSA-N	323.397	1.124	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H]1CC(c2ccccc2)=NO1	764464104	LOWRDIDVKUZIDS-GFCCVEGCSA-N	313.317	1.122	50	20	DDGD	
COc1ccc([N+](=O)[O-])c(C(=O)NNc2ncc(F)cn2)c1	760906742	RAFUCLBLZDKMOW-UHFFFAOYSA-N	307.241	1.289	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2[C@H]3c4ccccc4C[C@H]32)n1	861460295	AGQOOIPBXZGYJV-VNQPRFMTSA-N	307.353	1.737	50	20	DDGD	
C[C@@H](CCc1ccccc1F)C(=O)NNC(=O)c1cn[nH]c1	862471843	AVFAASGZOBFSLH-JTQLQIEISA-N	304.325	1.579	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccc(OC2CCC2)cc1	869909931	MRAFITPFUPFMTM-UHFFFAOYSA-N	322.361	1.042	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(Cn2cccn2)o1	764469985	BCKPXMGYBFSJQC-UHFFFAOYSA-N	314.305	1.080	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1ccc(O)c(F)c1	767296192	NQTVDPJBCJXJNN-UHFFFAOYSA-N	306.268	1.674	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2O)CCC1=O	763960004	VNKCSDDVJDLZNS-DTWKUNHWSA-N	324.764	1.812	50	20	DDGD	
N#CC1=CCN(C(=O)CCNS(=O)(=O)c2ccccc2)CC1	767156610	HIQYYQFKNOXPBW-UHFFFAOYSA-N	319.386	1.037	50	20	DDGD	
CCNC(=O)NNS(=O)(=O)c1ccc(SC)c(Cl)c1	766363372	ZXQQGGDGKPEOSX-UHFFFAOYSA-N	323.827	1.574	50	20	DDGD	
Cn1ccc(NNC(=O)c2cc(-c3ccc(F)cc3)on2)n1	1116852993	WUDYEUQYFNDYIU-UHFFFAOYSA-N	301.281	1.971	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2NC(=O)O[C@H]2C)c(C)c1	873759510	VQYOJWSERPRVQT-GXSJLCMTSA-N	322.390	1.118	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(C(=O)OC(C)(C)C)cc1	770710585	RERLFHJXDBBHFQ-UHFFFAOYSA-N	321.377	1.996	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2cccc(C#N)c2)[C@@H]1OC	776524785	IXQNJJBPAASFSJ-MJBXVCDLSA-N	304.350	1.377	50	20	DDGD	
COC(=O)[C@H](C)c1ccc(NC(=O)NN(C)C(=O)OC)cc1	879891976	MMBXFTFYXOQBRM-SECBINFHSA-N	309.322	1.698	50	20	DDGD	
N#CSCCCNC(=O)CN1C(=O)COc2ccccc21	773589525	XZECLKVRTJUFRW-UHFFFAOYSA-N	305.359	1.133	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cc2c(cc1Cl)OCCO2	878103365	JSZPHCPAQGOUOS-UHFFFAOYSA-N	315.713	1.846	50	20	DDGD	
CC/C(C)=C(/C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	779718534	GVMSQZHRGNUERZ-BMSUMIBZSA-N	304.346	1.720	50	20	DDGD	
COc1ccc([C@@H](NCC(=O)NNC(=O)C2CC2)C(C)C)cc1	774823564	JFKQFEDHUQDGQF-INIZCTEOSA-N	319.405	1.539	50	20	DDGD	
COC(=O)c1ccnc(NC(=O)NNc2ncncc2Cl)c1	770681226	HWEWMYGGGYUOAI-UHFFFAOYSA-N	322.712	1.460	50	20	DDGD	
Cc1[nH]c(C(=O)NNc2ccn(C)n2)c(C)c1C(=O)OC(C)C	1116852911	UNCNSGTUQDIOSP-UHFFFAOYSA-N	319.365	1.687	50	20	DDGD	
CCn1cc(C(=O)NNc2ncncc2F)c(C(F)(F)F)n1	1117730631	NMOKHSSDYOJSCC-UHFFFAOYSA-N	318.234	1.608	50	20	DDGD	
Cn1cc(/C=C\C(=O)NNc2ccnc(Br)c2)cn1	771537369	LOWOIZWNGSRBTC-IHWYPQMZSA-N	322.166	1.734	50	20	DDGD	
CC1(C)OCC(C)(C(=O)NNc2ncccc2[N+](=O)[O-])CO1	775613870	RCGCIAMSKWFWMN-UHFFFAOYSA-N	310.310	1.222	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C(C)(C)c1ccc(F)cc1	772090022	GLQMTBMPPTYSHY-JTQLQIEISA-N	324.352	1.592	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccc(F)cc2OC)cn1	879758424	RYDBTEPEJSUGBJ-UHFFFAOYSA-N	308.313	1.434	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1ccnn1CC1CCC1	878887038	QLOICSIJMKDURV-UHFFFAOYSA-N	306.757	1.884	50	20	DDGD	
O=C(NN=C1CCCOCC1)c1nnc(O)c2ccccc12	770596027	AMXAIMDPRVUTMU-UHFFFAOYSA-N	300.318	1.622	50	20	DDGD	
O=C(NCC1CC1)NN=C1C(=O)Nc2c(F)cc([N+](=O)[O-])cc21	774366875	OEMRPAHGXAJNOG-UHFFFAOYSA-N	321.268	1.099	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@H](O)c1ccccc1Cl	881928469	MAAOHARRSCLTGY-NSHDSACASA-N	312.218	1.922	50	20	DDGD	
Cc1ccc(C[C@@H](CO)NS(=O)(=O)CCCCl)cc1	882111879	JGQALCPTJOBKPR-ZDUSSCGKSA-N	305.827	1.447	50	20	DDGD	
CC(C)(C)OC1CCN(C(=O)NNC(=O)c2cccnn2)CC1	883851509	UHEGDHFOVQPIPE-UHFFFAOYSA-N	321.381	1.111	50	20	DDGD	
N#CCc1ccccc1CC(=O)NNC(=O)c1ccccc1F	776740160	YGGVUQHSGUKUDA-UHFFFAOYSA-N	311.316	1.895	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCCCl)[C@@H](O)c1cccc(F)c1	881965174	ULHWKIKGEGLFKP-BXKDBHETSA-N	309.790	1.796	50	20	DDGD	
N#Cc1ccc(NNC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)nc1	888665919	IUWSEJHSWRWRQK-IACUBPJLSA-N	313.361	1.537	50	20	DDGD	
O=C(NNc1cc(Br)ccc1F)C(=O)NC1CC1	885147328	BHPFIWZKFJUCAT-UHFFFAOYSA-N	316.130	1.310	50	20	DDGD	
Cc1cc(CC(=O)NN=CC2CCC3(CC2)OCCO3)n[nH]1	788708893	DHIAVPIYCXLMCV-UHFFFAOYSA-N	306.366	1.296	50	20	DDGD	
C[C@H](OC[C@@H]1CCCCO1)C(=O)NNc1ncncc1Cl	781826555	XSIAFHWHIJCSFD-UWVGGRQHSA-N	314.773	1.547	50	20	DDGD	
COc1ncccc1NC(=O)C(=O)NNc1ncccc1Cl	784815992	JFEKOJJDFITXRX-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
O=C(CNCC(F)(F)F)NNc1c(F)cc(F)cc1F	885151206	ZGJAMDMOPGZMBJ-UHFFFAOYSA-N	301.190	1.699	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=O)CC(C)C	782075575	UCTUNECZNKRSAI-UHFFFAOYSA-N	310.310	1.802	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(Cl)cc(F)c1Br	785952181	YJLHZZFDQKKVCI-UHFFFAOYSA-N	324.537	1.815	50	20	DDGD	
CCNC(=O)NN=Cc1cn(CCC#N)nc1-c1ccncc1	788425236	FFNNHNYVJWVXNW-UHFFFAOYSA-N	311.349	1.512	50	20	DDGD	
C[C@H](NC(=O)CCC(=O)NNc1cnccn1)c1ccccc1	896381603	SLKBZFYDYUPBGD-LBPRGKRZSA-N	313.361	1.577	50	20	DDGD	
CO[C@]1(C(=O)NNc2cc(Cl)nc(C)n2)CCSC1	896672053	IRSJLJRCVOOGQC-LLVKDONJSA-N	302.787	1.404	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)NC/C=C/Cl	899034500	JUHOBECONRHKAR-FNORWQNLSA-N	318.805	1.012	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(C#N)c(O)c2)nc1	785415315	XTDFJDAYIGDBPQ-UHFFFAOYSA-N	312.285	1.202	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](NC2CCOCC2)C(C)C)nc1	782047023	WEQPPAWGEBOYQY-OAHLLOKOSA-N	322.409	1.327	50	20	DDGD	
Cn1cc2c(n1)CCC[C@H]2C(=O)NNC(=O)c1cccc(C#N)c1	798429327	QVLMRIZMBDCFOE-CYBMUJFWSA-N	323.356	1.173	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)C(=O)Nc1cncc(F)c1	799257855	MFDMWQSUGTXMRX-UHFFFAOYSA-N	319.252	1.211	50	20	DDGD	
Cn1cc(C=NNC(=O)c2ccc(O)c(O)c2)c(C(C)(C)C)n1	794556708	CNUBPBOSKWOFPJ-UHFFFAOYSA-N	316.361	1.893	50	20	DDGD	
O=C(NN=CCc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1	794887692	BAJQOZOBOSENKL-LLVKDONJSA-N	314.794	1.419	50	20	DDGD	
CC[C@H](C)CC[C@H](O)CC(=O)NNC(=O)c1cccc(C)n1	794087853	SLBZTGWTJGVQCN-AAEUAGOBSA-N	307.394	1.728	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)N2CCOCC2)c(C)c1OC	794903885	SAGDXZLGBBLMGF-UHFFFAOYSA-N	321.377	1.778	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C(=O)Nc2ccccc2C)n1	797371574	ZRVQLDNHRVHOHF-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)CCN(CC)CC)[nH]c1C	799471184	DUVBFAQSXSUNRV-UHFFFAOYSA-N	322.409	1.682	50	20	DDGD	
O=C1Cc2cc(OS(=O)(=O)CBr)ccc2N1	795427696	CSFDHFXXXOUAOU-UHFFFAOYSA-N	306.137	1.242	50	20	DDGD	
C=C[C@H](NNC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)OC	799976655	URNOLKIOGWZVOA-ZZTKBFGJSA-N	306.406	1.941	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cscc1Br	794886344	JDPBIOMXSOHFAZ-UHFFFAOYSA-N	318.196	1.485	50	20	DDGD	
Cc1c(C)c(O)c(C=NNC(=O)N2CCOCC2)c(C)c1O	799877671	GBJMDHRGRWUQAO-UHFFFAOYSA-N	307.350	1.399	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNc1nc2ccccn2n1	791252833	NTUXEWGSGWXPKG-JTQLQIEISA-N	315.308	1.779	50	20	DDGD	
COc1ccccc1CONC(=O)NNc1nc(C)cc(C)n1	798534293	GOYPXFLAXGWIPR-UHFFFAOYSA-N	317.349	1.860	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1cnoc1C1CC1	1319342547	VHGWSHSTGZKGJV-UHFFFAOYSA-N	312.289	1.754	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(C)n1CC1CC1	1326347557	GDFNSRXSLYCCIO-GXTWGEPZSA-N	319.405	1.701	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1ncc(Cl)s1	1322817312	OSEYOIKSBINIJT-UHFFFAOYSA-N	321.753	1.529	50	20	DDGD	
C[C@H](Sc1ccccc1C(=O)NNc1cccnn1)C(N)=O	1321273490	MMALCVUIVNHYLC-VIFPVBQESA-N	317.374	1.199	50	20	DDGD	
O=C(CCl)NCCC(=O)N1CCN(c2ccccc2)CC1	1323270454	UWBSNXYEXVELIT-UHFFFAOYSA-N	309.797	1.080	50	20	DDGD	
COc1ccc2c(c1)C[C@H](C(=O)NNC(=S)NC(C)C)CO2	1322697098	QWHHWFKVFHFZJX-NSHDSACASA-N	323.418	1.150	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc(C)n(C)c2C)cc1	1324990687	LCXPPKWYTBGVBE-UHFFFAOYSA-N	301.346	1.725	50	20	DDGD	
CC(C)=CCNC(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1329528572	SLRUTONOFSCNSV-SKDRFNHKSA-N	303.200	1.359	50	20	DDGD	
C=CC[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1ccncc1	1328133291	BORCRUYJQYXOLU-UBHSHLNASA-N	318.377	1.454	50	20	DDGD	
C[C@H]1CCCN(C(=O)C(=O)NNC(=O)c2ccccc2Cl)C1	1320327257	DJPBXTROIYKQFX-JTQLQIEISA-N	323.780	1.360	50	20	DDGD	
Cc1cc(C=NNC(=O)C[n+]2ccccc2)cc2cccnc12	1322444805	AJTTVYLFIXDGKN-UHFFFAOYSA-O	305.361	1.981	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)N1CCCOCC1	1324579644	ALKHTYMTAOHNNR-UHFFFAOYSA-N	305.378	1.472	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCOCC2)s1)c1cccnn1	1333197523	CMNHTMLURXEHHM-UHFFFAOYSA-N	317.374	1.139	50	20	DDGD	
C#CCN(C)CCCNC(=O)NNC(=O)c1ccccc1Cl	1330864411	IMZFMLAIDJIXBA-UHFFFAOYSA-N	322.796	1.239	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=C1CCOc2c(F)ccc(F)c21	1339652213	MAGGBWIMQRQAKC-UHFFFAOYSA-O	318.303	1.555	50	20	DDGD	
CC1(CNC(=O)C(=O)NC[C@]2(C)C[C@H]2Br)CC1	1331079988	ZSSVMNPDEHRXJT-PELKAZGASA-N	303.200	1.192	50	20	DDGD	
C[C@H](Cc1ccncc1)NC(=O)NNc1nncc(N)c1Cl	1340571614	HXCHNIDBLKUYGO-MRVPVSSYSA-N	321.772	1.365	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2nccc(Cl)c2F)n1	1343128963	JZCTVKFMVXMGEE-UHFFFAOYSA-N	311.704	1.738	50	20	DDGD	
CCCN1C[C@H](C(=O)OC[C@@]2(C)C[C@H]2Br)CC1=O	1344034138	DSJOASKRHRUJIL-GIPNMCIBSA-N	318.211	1.962	50	20	DDGD	
C[C@@]1(CO)CN(C(=O)C2CCC(Cl)CC2)C[C@]1(C)CO	1347137277	CANAGNWPFXRMJL-VWSDQGQDSA-N	303.830	1.623	50	20	DDGD	
CC1(C)OC[C@H](/C=C\C(=O)NNc2ccc(CC(=O)O)cc2)O1	1604561776	LDHSROSWMYHIJQ-WSROAFLRSA-N	320.345	1.465	50	20	DDGD	
O=C(O)C[C@H](CNC(=O)NNc1cncc(Cl)n1)C1CC1	1608666676	NZMPQXBLVJEVIT-MRVPVSSYSA-N	313.745	1.257	50	20	DDGD	
O=C(O)CCCN1CCC(=NNC(=O)[C@H]2CCCS2)CC1	1601990295	ZWMMBWPFDYQULV-GFCCVEGCSA-N	313.423	1.315	50	20	DDGD	
CNc1snc(C)c1C(=O)NNc1ccc(CC(=O)O)cc1	1606315318	PLYKVOCIFIBMCC-UHFFFAOYSA-N	320.374	1.877	50	20	DDGD	
O=C(O)C(=O)NN=Cc1ccc(OCc2ccccc2F)cc1	1608531326	YLUJRURGZCRHNV-UHFFFAOYSA-N	316.288	1.939	50	20	DDGD	
CCC(CC)(C(=O)O)C(=O)NNC(=O)CNc1ccc(C)cc1	1603525819	BLSDOXGMNAQQQH-UHFFFAOYSA-N	321.377	1.445	50	20	DDGD	
COc1nccnc1NNC(=O)CC1(CC(=O)O)CCCC1	1607361992	YJNKUFIEOXYKBG-UHFFFAOYSA-N	308.338	1.354	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C12CCC(C(=O)O)(CC1)CC2	1609667344	YQANXGPRTQDQIQ-UHFFFAOYSA-N	312.366	1.968	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccc(C(=O)O)cn2)c1C1CC1	1608155916	RXDHFWRATJAFDZ-UHFFFAOYSA-N	301.306	1.148	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CC2(CC(=O)O)CCCC2)n1	1600183216	VGCAMNHWUVGFFV-UHFFFAOYSA-N	306.366	1.962	50	20	DDGD	
CO[C@]1(C(=O)O)CCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C1	1606690896	GJDLXRWBYIIWRQ-DTHCKZEYSA-N	317.301	1.635	50	20	DDGD	
COCCn1ccc(NC(=O)NNc2cccc(C(=O)O)c2)n1	1606932630	GYKQUMOMBGHEQW-UHFFFAOYSA-N	319.321	1.376	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)ccc1Cl	1549322069	XCOVVPKJIDSJDK-ZFWWWQNUSA-N	321.808	1.962	50	20	DDGD	
O=C(NN=Cc1ccsc1Cl)[C@H]1CN2CCC[C@H]2CO1	1549322557	ZZOWJFVFFHNCMI-WDEREUQCSA-N	313.810	1.715	50	20	DDGD	
CO[C@H]1CCC[C@H]1CNC(=O)NNc1cccc(C(=O)O)c1	1610230275	BHGMTCGAKBKCJI-AAEUAGOBSA-N	307.350	1.826	50	20	DDGD	
CC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)OC)C2	1800077395	KQFFRXVFOXTMRM-WJTVCTBASA-N	316.829	1.677	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@@H]1C=NNC(=O)c1cnsn1	1552920041	LXSCOJMRDVJBDB-KOLCDFICSA-N	320.378	1.155	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](I)C1	158595061	KDSPYCAYQSNGNO-BQBZGAKWSA-N	313.135	1.402	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2C[C@@]23CCCNC3)cc1F	1578870995	NYGMLHJOVCFBRC-MLGOLLRUSA-N	321.352	1.445	50	20	DDGD	
CC(C)C[C@H](N)C(=O)NNc1ncccc1Br	1575640356	TUSITQHCBKLLSY-VIFPVBQESA-N	301.188	1.661	50	20	DDGD	
O=C(c1ccco1)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846387162	OPHNYZMIYDDPJZ-UHFFFAOYSA-N	317.172	1.900	50	20	DDGD	
CC(C)C(=O)N1CCCC12CN(C(=O)[C@H](C)Br)C2	1842615267	SXOXGSRNFBGWPG-JTQLQIEISA-N	317.227	1.629	50	20	DDGD	
CC[C@@H](NNC(=O)c1cc(F)ccc1Br)C(=O)O	1595305834	NHSWQSWAQIZWOL-SECBINFHSA-N	319.130	1.686	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccnn1C1CCC1	1593165528	PHJRNOCHUAZHMU-UHFFFAOYSA-N	324.348	1.545	50	20	DDGD	
CN(C)c1ccc(C(=O)NNc2cccc(F)c2C(=O)O)cn1	1598312769	QUSFCGAOFWJCMV-UHFFFAOYSA-N	318.308	1.742	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1	1592232927	UPPUNRXZEJZEPK-UHFFFAOYSA-N	301.285	1.399	50	20	DDGD	
C[C@]1(C(=O)NC[C@@H](CC(=O)O)C2CC2)C[C@H]1Br	1593749684	SEOGAWRLXBZBIS-LNLATYFQSA-N	304.184	1.777	50	20	DDGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)nn1C	1776129076	IIWDUISKJWYMNN-XYOKQWHBSA-N	310.313	1.972	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC)C2	1793447715	WSOYBANZGIMDGK-GFQSEFKGSA-N	316.829	1.394	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CC2CCCC2)cc1	19601556	CSXLUDQWPOLRND-UHFFFAOYSA-N	303.362	1.661	50	20	DDGD	
Cc1c(C(=O)NNc2nc(C(F)(F)F)cs2)cnn1C	163111303	MTPCSDIEJUSTQV-UHFFFAOYSA-N	305.285	1.961	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(OCCc2ccccc2)nc1	163498652	NRVANTDTRARSKR-UHFFFAOYSA-N	314.345	1.876	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1	155395843	HTXUYHMIFXGHNQ-UHFFFAOYSA-N	315.264	1.945	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)C[C@@H]2CCc3ccccc32)nn1	154310927	DPKHNMVPHNIEOT-NSHDSACASA-N	311.345	1.139	50	20	DDGD	
CC(C)[C@H](CO)CNS(=O)(=O)c1ccc(CCl)cc1	394017422	SJDLNJRSOITPDU-LBPRGKRZSA-N	305.827	1.968	50	20	DDGD	
C[C@H](C[S@@](C)=O)N(C)S(=O)(=O)c1ccc(CCl)cc1	398959466	XXZANEHNUTYSBH-MLCYQJTMSA-N	323.867	1.813	50	20	DDGD	
C=C(CBr)COC(=O)CONC(=O)OC(C)(C)C	923135012	KKGGTBBRBUPRRA-UHFFFAOYSA-N	324.171	1.937	50	20	DDGD	
Cc1cccnc1CNC(=O)NNC(=O)c1ccccc1O	105287870	ILMIOXTXSOSLRH-UHFFFAOYSA-N	300.318	1.240	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)Cc1cccnc1	103423387	MDNNZPGOZANZMC-UHFFFAOYSA-N	314.301	1.302	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cnc(C)nc1C	179825984	UEKHVJWBJDTFKH-UHFFFAOYSA-N	314.345	1.106	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H](C)c2cn(C)nc2C)n1	175541586	GHNCPGRCEHISDR-VIFPVBQESA-N	319.369	1.223	50	20	DDGD	
Cc1cc(NNC(=O)C[C@@H](C)NC(=O)C2CCCCC2)ncn1	172275867	FYLVRRUFCRDZRX-GFCCVEGCSA-N	319.409	1.703	50	20	DDGD	
CN(C)CC[C@H](NC(=O)NNC(=O)c1ccccc1)C(C)(C)C	116415797	BMWXEFGHICDBIF-AWEZNQCLSA-N	320.437	1.997	50	20	DDGD	
Cc1c(C(=O)NNc2cnccn2)cnn1-c1ccccc1F	114880787	ZZZLIXNWKDRVDH-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
O=C(NNc1ncccn1)N[C@@H]1C[C@H]1c1c(F)cccc1F	116562437	OLJMJPQERFZVGV-LDYMZIIASA-N	305.288	1.937	50	20	DDGD	
C[C@H]1Sc2ccc(C(=O)NNC(=O)NC3CC3)cc2NC1=O	64429124	QKLOCQLMYIUCIW-SSDOTTSWSA-N	320.374	1.226	50	20	DDGD	
Cc1ccc(C)c(S(=O)(=O)NNC(=O)NC2CCCC2)c1	65833094	UOOHJXFLSINLOV-UHFFFAOYSA-N	311.407	1.739	50	20	DDGD	
CC[C@@H](C)C(=O)NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1	111054510	OSVKRSJUSSOGPW-MRVPVSSYSA-N	306.370	1.364	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cc2csc(C)n2)nc1	179786646	JDUOXSZFMUCEPL-UHFFFAOYSA-N	306.347	1.319	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@@H]1OCCc2ccccc21	119597586	NKXPDAWIKNDZRZ-MRXNPFEDSA-N	311.341	1.086	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cc2ccccc2F)nc1	179797174	GETYHNIUDZOOOD-UHFFFAOYSA-N	303.293	1.693	50	20	DDGD	
CCCN(CCC)C(=O)CCCC(=O)NNc1cnccn1	114879122	KHVSIYUFBJPZLG-UHFFFAOYSA-N	307.398	1.739	50	20	DDGD	
CCCNC(=O)NNC(=S)Nc1ccc2c(c1)OCCO2	66012285	YMUOKGIAPBAVNG-UHFFFAOYSA-N	310.379	1.368	50	20	DDGD	
CC(C)NC(=O)NNC(=O)/C=C/c1cn(C)c2ccccc12	79803631	JDYVFBDKTSHYRU-CMDGGOBGSA-N	300.362	1.930	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2ccncc2)cc([N+](=O)[O-])c1	175806444	KHTGQDKTBWZKJS-UHFFFAOYSA-N	314.301	1.302	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc2c(C)nn(C)c2s1	68266560	FSWIMKRGPGWRPL-UHFFFAOYSA-N	309.395	1.687	50	20	DDGD	
Cc1nnc(CC(=O)NNC(=O)c2ccc(Cl)cc2F)o1	175826755	QDPCKYOCKSWSRM-UHFFFAOYSA-N	312.688	1.174	50	20	DDGD	
O=C(CCNC(=O)OCC(F)(F)F)NNc1ccnc(F)c1	182468359	ZVYPWYROJJULKN-UHFFFAOYSA-N	324.234	1.342	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cn(-c2ccccc2)nc1C	184198469	FAKPWTXAZYYJRM-UHFFFAOYSA-N	317.349	1.370	50	20	DDGD	
Nc1nccnc1C(=O)NNc1cc(C(F)(F)F)ccc1F	128906502	CWJHPIHZLQRQJD-UHFFFAOYSA-N	315.230	1.974	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2ccc(C)o2)nc1C	182718305	ZAFXJIONAHNYAP-UHFFFAOYSA-N	304.306	1.620	50	20	DDGD	
COc1nccnc1NNC(=O)CCc1c(C)noc1Cl	184360936	IVQAKCPDNJVJIE-UHFFFAOYSA-N	311.729	1.511	50	20	DDGD	
CSc1cc(C(=O)NNC(=O)Cc2ccncc2)ccc1F	121433928	JOLGIGYLULBROI-UHFFFAOYSA-N	319.361	1.946	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1Cc2cc(F)ccc2O1	132083767	VBEMLMAPSKQMBQ-NSHDSACASA-N	304.281	1.071	50	20	DDGD	
CNC(=O)NNC(=O)[C@H](C)Oc1cccc(Br)c1	48644448	PESRJNFEFKIKRG-ZETCQYMHSA-N	316.155	1.177	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CSC(F)(F)F)cc1	193081021	VQMDNRXUMRNDEI-UHFFFAOYSA-N	322.308	1.774	50	20	DDGD	
CCn1nc(C)c(NC(=O)C(=O)NNc2ccc(C)cc2)c1C	131493802	NXLFGZHTUPFXKA-UHFFFAOYSA-N	315.377	1.910	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNc1nc(-c2ccccc2)no1	191509615	AINYCUAIUQRWLL-UHFFFAOYSA-N	312.333	1.762	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1	89374003	IYALLOYGFILGKC-UHFFFAOYSA-N	311.769	1.150	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCN(C)CC(F)(F)F)o1	84158602	FDFGGUVHKVVWOX-UHFFFAOYSA-N	322.287	1.026	50	20	DDGD	
CC(=O)c1cccc(O[C@@H](C)C(=O)NNC(=O)C(C)(C)C)c1	130486286	JWEBCCHPVFFJNN-NSHDSACASA-N	306.362	1.850	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(C(F)(F)F)cn1)n1cncn1	131750790	XVOBLSXHHCPYAD-SSDOTTSWSA-N	300.244	1.396	50	20	DDGD	
O=C(NNc1ccc(F)cc1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O	192784607	YDRHTYFBCGVNSX-NXEZZACHSA-N	319.258	1.726	50	20	DDGD	
CCN1CCCC[C@H]1CNC(=O)NNC(=O)c1ccc(C)o1	84158453	YFKGMBQTLXQVSI-LBPRGKRZSA-N	308.382	1.406	50	20	DDGD	
Cc1ccc(Cl)c(O[C@H](C)C(=O)NNC(=O)C(C)(C)O)c1	190054566	WSIPOLGRXAPFBV-SECBINFHSA-N	314.769	1.334	50	20	DDGD	
CN(C)c1cc(C(=O)NNC(=O)c2cccc(Cl)c2)ccn1	193055538	MOWXFUPTRASHBZ-UHFFFAOYSA-N	318.764	1.876	50	20	DDGD	
Cc1ccc(C)c2c(C)c(C(=O)NNC(=O)C(C)(C)O)oc12	190071254	HHLWJOXDTWYFND-UHFFFAOYSA-N	304.346	1.890	50	20	DDGD	
CC(C)[C@@H](NS(=O)(=O)c1ccc(CCl)cc1)C(N)=O	381805093	KOOBZEGHHJCBFS-LLVKDONJSA-N	304.799	1.214	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)c1ccncc1)c1ccccc1F	191846403	VAGIAPUBJFUCHP-INIZCTEOSA-N	317.320	1.544	50	20	DDGD	
CCCC(=CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)CCC	92246995	LYXGVZRKZTUMSW-LBPRGKRZSA-N	316.423	1.095	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12	247310425	VJCZGFKWYQJMRG-BFHYXJOUSA-N	301.390	1.949	50	20	DDGD	
CC(C)[C@H](NC(=O)c1cccs1)C(=O)NNC(=O)C1CCC1	264673630	HGFXIWVOVXACOP-LBPRGKRZSA-N	323.418	1.450	50	20	DDGD	
COc1cccc(O[C@@H](C)CNC(=O)NNc2cccnn2)c1	266558156	MHXZBGYBEFGZCA-NSHDSACASA-N	317.349	1.579	50	20	DDGD	
CSCCCNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	265525958	AYDDHBPCYMNDRC-UHFFFAOYSA-N	312.351	1.292	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CN(C)C)c1ccc(Cl)c(Cl)c1	266962058	XQXKHVOJONLIAU-QMMMGPOBSA-N	318.204	1.806	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)c(F)c1	267628966	PZGWNYGRMZURLC-QMMMGPOBSA-N	311.382	1.742	50	20	DDGD	
COc1cc(C(=O)NNc2cc(C)ccn2)cc2c1OCCO2	268044094	VSXVVRWDEDBCFJ-UHFFFAOYSA-N	315.329	1.927	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)n1nnc(-c2ccccc2)n1	266276543	SYGLCYCJQJNOHJ-LLVKDONJSA-N	316.365	1.095	50	20	DDGD	
CN(C)c1ncc(CNC(=O)NNc2cc(Cl)ccn2)n1C	272432981	OFTXTSLTWWHVRH-UHFFFAOYSA-N	323.788	1.361	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NC1CCN(c2cccnn2)CC1	277202926	DGMVHVBOGNGBBA-VAWYXSNFSA-N	301.350	1.006	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCS1)[C@@H]1COc2ccccc2O1	272797389	BRLSIZLHYTXPEQ-QWHCGFSZSA-N	322.386	1.260	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cccc2oc(C)nc12	279629497	VKBCDGIIRPUBLU-UHFFFAOYSA-N	306.322	1.117	50	20	DDGD	
O=C(NC[C@@H]1COC2(CCCCC2)O1)NNc1ncccn1	271952365	XYWNSACBJUXIAZ-LLVKDONJSA-N	307.354	1.179	50	20	DDGD	
C=CC[C@@H](C)NC(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C	273606229	SHLMOFOCTXGMIN-NXEZZACHSA-N	314.386	1.195	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1c[nH]c2ccc(OC)cc12	271351107	LMBGPJGVECFOBM-UHFFFAOYSA-N	304.350	1.412	50	20	DDGD	
CC[C@@H]1C[C@@H](C(=O)NNC(=O)COc2ccccc2F)CCO1	272513692	WLKLGJFFVMOWFU-NWDGAFQWSA-N	324.352	1.557	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H]1CC(C)(C)OC1=O	270946187	XAPKYOBTLYHAPF-SNVBAGLBSA-N	313.785	1.563	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNC(=O)Nc1ccccc1	283822732	ZRJCNCUQQWZECO-UHFFFAOYSA-N	306.366	1.536	50	20	DDGD	
COc1ccc(C(=O)NNc2nccnc2OC)c(C)c1OC	287642724	CIWYHLKVASZGIM-UHFFFAOYSA-N	318.333	1.568	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	286315766	KQAACGDOUSBWBD-SFYZADRCSA-N	302.252	1.937	50	20	DDGD	
C[C@H]1CCCC[C@H]1NC(=O)NNc1ccc(-n2ccnc2)nn1	286540486	VPTKZTVXINFRLJ-NWDGAFQWSA-N	315.381	1.867	50	20	DDGD	
COCc1cnc(NC(=O)NNC(=O)c2ccc(C)o2)s1	287573427	PYCOFQNTOPANQH-UHFFFAOYSA-N	310.335	1.657	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H]2CCc3cc(C)ccc3O2)n1	280359049	RWJHBJLQYRMHNX-ZDUSSCGKSA-N	314.345	1.631	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)N1CCc2cc(F)ccc21	283168668	FPLSAYGSKWIBMH-UHFFFAOYSA-N	321.352	1.298	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	281153970	HRDGTQMRPRYLDX-UHFFFAOYSA-N	321.377	1.062	50	20	DDGD	
Cc1nccc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)n1	802015689	WTYPHEHRVUIOEZ-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
CN(NC(=O)c1cccc2c1oc(=O)n2C)C(=O)OC(C)(C)C	297842616	YYJSPBOPZWIVLA-UHFFFAOYSA-N	321.333	1.643	50	20	DDGD	
COc1cc(F)cc(NNC(=O)COCc2ccccn2)c1	807062815	KFFNYVDZSIVWBJ-UHFFFAOYSA-N	305.309	1.889	50	20	DDGD	
Cn1nccc1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	299384530	XTMRYKIZCNMVDK-UHFFFAOYSA-N	302.378	1.398	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2cccc(Cl)n2)CN1C1CC1	293090588	RZWOMAHNNOIUHQ-UWVGGRQHSA-N	309.801	1.986	50	20	DDGD	
Cc1cccc(-n2cc(-c3csc(NNC(N)=O)n3)nn2)c1	800722117	WENSHBRPOVLRDU-UHFFFAOYSA-N	315.362	1.694	50	20	DDGD	
COc1cc(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)on1	802120454	RSBQHHDTCMCVMV-UHFFFAOYSA-N	319.321	1.216	50	20	DDGD	
CN(C)C(=O)c1cc(NC(=O)NNc2cccc(F)n2)ccn1	806286510	YMVAJZMAZPFKRJ-UHFFFAOYSA-N	318.312	1.466	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)[C@H]2CCN(C)[C@@H](C)C2)c1	293941799	NYWXMPAPQHPAEY-AAEUAGOBSA-N	304.394	1.818	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1ccccc1S(C)(=O)=O	808246082	QCOCWOBRZGUPTG-UHFFFAOYSA-N	310.202	1.966	50	20	DDGD	
COC(=O)c1ccc(C(=O)NN(C)C(=O)OC(C)(C)C)nc1	297563236	GPDQQHRIILXPAR-UHFFFAOYSA-N	309.322	1.380	50	20	DDGD	
CC(=O)C1(C(=O)NNC(=O)c2cc(-c3cccs3)n[nH]2)CC1	294643066	RPJHQHCWRWWPGH-UHFFFAOYSA-N	318.358	1.268	50	20	DDGD	
CC(C)(C)Oc1ccc(C(=O)NNC(=O)c2ccccn2)nc1	814184938	MRYOIHMGFPSNLO-UHFFFAOYSA-N	314.345	1.729	50	20	DDGD	
Cc1ccc(C(=O)NN=C2CCCc3nc(N)ncc32)c(O)c1	814810707	GEXWOOACJYTARJ-UHFFFAOYSA-N	311.345	1.543	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)COc1ccc(C)c(C)c1)OC	812592978	FFAMZLQYYFYNPP-ZDUSSCGKSA-N	323.393	1.438	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ncc(CSC)s1	814865708	XBUZMXGAYCEWTJ-VIFPVBQESA-N	317.436	1.508	50	20	DDGD	
O=C(NNC(=O)N1CCO[C@H]2C[C@@H]21)c1cccc2cccnc12	814291244	FSSLOVGAWGHTFP-STQMWFEESA-N	312.329	1.062	50	20	DDGD	
O=C(CCCC1CC1)NNC(=O)c1ccc2c(c1)OCCO2	812454729	RFDCYDPZSGJSQE-UHFFFAOYSA-N	304.346	1.799	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNc2cccc(Cl)n2)c(=O)n1	817004922	WIDGVDRUTNFJSP-UHFFFAOYSA-N	307.741	1.052	50	20	DDGD	
COc1cc(C(C)=NNC(C)=O)ccc1OCCCC(=O)O	814692777	CIZNLIXHVKVBST-UHFFFAOYSA-N	308.334	1.799	50	20	DDGD	
COC(=O)[C@@H]1[C@H]2CN(C(=O)/C(C#N)=C\c3ccc(F)cc3)C[C@H]21	816959783	VFVHOIWKQCENSR-HNZDXRROSA-N	314.316	1.610	50	20	DDGD	
CCn1nncc1C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	815854823	SFNNHDGKTOYDAM-UHFFFAOYSA-N	324.266	1.945	50	20	DDGD	
CO[C@@](C)(C=NNC(=O)c1cccc(S(C)(=O)=O)c1)C1CC1	814801593	JFZZRXAPNOWDSY-HNNXBMFYSA-N	324.402	1.621	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)Cc2cc[nH]n2)cc1C	812722459	RPSQKSSSGFDZAV-UHFFFAOYSA-N	302.334	1.581	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)c1ccc(OC)cc1OC	812502390	KCBDQXACGXXZMR-WDEREUQCSA-N	324.377	1.383	50	20	DDGD	
O=C(CCc1cncnc1)NNc1ncnc2ccsc12	815827890	SPGDRTKFHXYPJV-UHFFFAOYSA-N	300.347	1.557	50	20	DDGD	
O=C(CCc1ncccn1)NNC(=O)Cn1ccc2ccccc21	812498942	ADGSVWYJTQJQRR-UHFFFAOYSA-N	323.356	1.212	50	20	DDGD	
CN1CC[C@H](NS(=O)(=O)c2ccc(CCCCl)cc2)C1	726973602	CIHURGYQGIMYII-ZDUSSCGKSA-N	316.854	1.840	50	20	DDGD	
C[C@]1(C(=O)NNc2cccc(S(C)(=O)=O)c2)CC1(F)F	817560719	LQOLHFFFMJEKSB-LLVKDONJSA-N	304.318	1.579	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)/C=C\c2cccc(O)c2)cc1	493833194	BOVUFIVUIPEFRP-TWGQIWQCSA-N	307.309	1.738	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN(c2ccccc2)C1)NC1CCCC1	822834021	NPAOQQPSYDJGTL-CYBMUJFWSA-N	316.405	1.786	50	20	DDGD	
COC(=O)N(C)N=Cc1ccc(OCCC(=O)O)c(OC)c1	495743171	BUUNTIXJOHMLRY-UHFFFAOYSA-N	310.306	1.581	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)COc2ccccc2O)CC=CCC1	823180163	JDSGEKUGVGKKHQ-MRXNPFEDSA-N	304.346	1.665	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(OC)c(N2CCOC2=O)c1	495308059	SZDVFFNXNUQKGZ-UHFFFAOYSA-N	322.321	1.215	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Cc1cccnc1	728851937	GIAXVPPYGPCEIR-NSHDSACASA-N	317.320	1.378	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ncccc1Oc1ccccc1	823929280	XHUOYGKVFQCMET-LBPRGKRZSA-N	301.346	1.831	50	20	DDGD	
COC(=O)NNC(=O)Nc1cnc(Br)cc1C	493214909	KXVOLHRNDVGQEI-UHFFFAOYSA-N	303.116	1.545	50	20	DDGD	
CCOC(=O)C1(CNC(=O)/C(C#N)=C/c2cnn(C)c2)CCC1	490974563	NMUMLFBCHNMPTE-NTUHNPAUSA-N	316.361	1.177	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1ccc(F)c([N+](=O)[O-])c1	497011199	NNQYCJAQGFKROB-UHFFFAOYSA-N	314.273	1.313	50	20	DDGD	
Cc1ccc(NNC(=O)C(C)(C)CN2CCOCC2)cc1F	824717107	KYWQQZKGYMJCBS-UHFFFAOYSA-N	309.385	1.936	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2C[C@H](O)C[C@H]2c2ccccc2)cn1	491177091	UGZUGSCWLZITLR-LDPQFBDASA-N	322.368	1.662	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cc(C(=O)O)c(C)cc1C	490701020	WBTNLJGEWRLFEY-NTUHNPAUSA-N	302.330	1.671	50	20	DDGD	
CSC(C)(C)C(=O)NNC(=O)NCCc1cccs1	823810288	KCMDGPLZAPABON-UHFFFAOYSA-N	301.437	1.763	50	20	DDGD	
CN(CC(=O)NNC(=O)C(C)(C)C)C[C@](C)(O)c1ccccc1	823598048	FFKBJTZUUNSHKJ-KRWDZBQOSA-N	321.421	1.019	50	20	DDGD	
CCc1nn(C)c(Cl)c1C=NNC(=O)Cc1cc(C)[nH]n1	734746137	HBQRAECHIKPMFW-UHFFFAOYSA-N	308.773	1.360	50	20	DDGD	
O=C(NN=Cc1cc(O)cc(Cl)c1)[C@@H]1CN2CCC[C@@H]2CO1	901263206	VHPKJVBPJFWPJA-OCCSQVGLSA-N	323.780	1.359	50	20	DDGD	
CCn1nc(C2CC2)cc1C(=O)NNc1nc(C)cc(C)n1	905767329	LLZTZLBXCHSDBT-UHFFFAOYSA-N	300.366	1.944	50	20	DDGD	
Cc1cc(NNC(=O)CCCNC(=O)OC(C)(C)C)ncn1	491547947	DZAOKHANBWMTGM-UHFFFAOYSA-N	309.370	1.533	50	20	DDGD	
Cn1cc(NC(=O)[C@]2(C)C[C@H]2Br)cc1C(N)=O	906959102	SKYDLUDMVJWIMC-LDYMZIIASA-N	300.156	1.236	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCCCC(=O)O)c1ccccc1	736224233	ZFHZYEHYXAPFIS-UHFFFAOYSA-N	307.350	1.159	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCCC(=O)OC(C)(C)C)cn1	491044695	CTTNXNJQOAJDPJ-GHXNOFRVSA-N	304.350	1.175	50	20	DDGD	
COCC[C@@H](C=NNC(=O)C(F)F)NC(=O)OC(C)(C)C	495989504	JXCQOILLNWELDV-QMMMGPOBSA-N	309.313	1.283	50	20	DDGD	
COC(=O)N(C)NC(=O)Cc1ccc(-n2nc(C)cc2C)cc1	495763099	QDHFKLCWLOUTNZ-UHFFFAOYSA-N	316.361	1.761	50	20	DDGD	
CC(=O)c1cn(CC(=O)OC[C@H](C)CBr)nn1	838191656	WIGAVOBXSOFWSR-SSDOTTSWSA-N	304.144	1.055	50	20	DDGD	
CC(=NNC(=O)C1CC1)c1ccc(S(=O)(=O)C(F)F)cc1	735223751	GWCDQDIKHAMIOP-UHFFFAOYSA-N	316.329	1.933	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=C(C)c2cnn(C)n2)o1	834950480	SJLKTMXATSBPDK-UHFFFAOYSA-N	318.381	1.404	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)Cc2nnn(C(C)(C)C)n2)c1	830821873	YNGBGBQQHBSBAQ-UHFFFAOYSA-N	306.345	1.561	50	20	DDGD	
OB(O)c1cccc(CNC[C@H]2CCC[C@@H](C(F)(F)F)C2)c1	585025962	HCPDZSJMCRPNAX-WCQYABFASA-N	315.144	1.825	50	20	DDGD	
CSCc1ccc(CNCc2ccc(B(O)O)cc2F)cc1	585041315	XGMNDHUEIJEXOH-UHFFFAOYSA-N	319.210	1.658	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](C)Cc2cnn(C)c2)c1	837522273	GDSGRUQUCVTPOY-LLVKDONJSA-N	316.361	1.529	50	20	DDGD	
CC(C)[C@@H](CO)[C@H](NS(=O)(=O)CBr)C(C)C	832237838	XTGSTQXDEIXDRA-NXEZZACHSA-N	316.261	1.547	50	20	DDGD	
CO[C@H](C)c1cccc(NCc2ccc(B(O)O)cc2F)c1	585013045	JIGFBGDZGNGSIM-LLVKDONJSA-N	303.142	1.825	50	20	DDGD	
CCCn1cccc1C=NNC(=O)Cc1cc(O)nc(S)n1	918152100	HAFNTLNHWZIANG-UHFFFAOYSA-N	319.390	1.375	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NN=Cc2csnn2)cc1	915953426	MFILKGKHXPAJAE-SNVBAGLBSA-N	320.374	1.854	50	20	DDGD	
CC(C)(CC(=O)NNC(=O)c1ccc[nH]1)NC(=O)OC(C)(C)C	739684115	KLEDGQBUMPCVPO-UHFFFAOYSA-N	324.381	1.469	50	20	DDGD	
Cn1ncc2c1CCC[C@@H]2NC(=O)NNc1ccc(F)cn1	731359990	SKMZADRFARACMN-NSHDSACASA-N	304.329	1.658	50	20	DDGD	
Cc1csc(CNC(=O)NNC(=O)Cn2nc(C)cc2C)c1	838662742	JROUQXSJSZLATG-UHFFFAOYSA-N	321.406	1.400	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cc2c(C)noc2C)cc1F	837051808	OTAUGZKFQVPYNY-UHFFFAOYSA-N	321.308	1.903	50	20	DDGD	
COC[C@H]1CCCCN1CC(=O)NNC(=O)c1ccc(C)cc1	832605897	VMVXLFNGTLFFMJ-OAHLLOKOSA-N	319.405	1.257	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C1CCCC1)c1nnc2ccccn12	916222013	OUTKSSPAUHELML-SNVBAGLBSA-N	316.365	1.311	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc(C(=O)O)s2)n1	833001114	VDOFNSWLPBTMJM-UHFFFAOYSA-N	312.738	1.955	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCCn2cccn2)cc1	747900442	CMEINLSAZCZZLZ-UHFFFAOYSA-N	316.361	1.198	50	20	DDGD	
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NNC(=O)CC(F)(F)F	919913642	VZUUUDTUGQNWMS-ZJUUUORDSA-N	324.347	1.390	50	20	DDGD	
CCC(=O)N1CCC(=NNC(=O)CNc2ccccc2F)CC1	747321694	OBTCLWZZFVAZLD-UHFFFAOYSA-N	320.368	1.742	50	20	DDGD	
CCCCNC(=S)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	916546622	GLDANWCJKNZPCK-UHFFFAOYSA-N	322.434	1.537	50	20	DDGD	
C[C@@H]1CC(C)(C)CCC1=NNC(=O)Cc1cc(O)nc(O)n1	748251260	IMMVBFSEZZKDTD-SECBINFHSA-N	306.366	1.749	50	20	DDGD	
C[C@@H]1CCCN([C@H](C)CNC(=O)NNC(=O)CC(F)(F)F)C1	918065205	PWCYVYIRPZKSIX-NXEZZACHSA-N	324.347	1.390	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N[C@H](CN)C2CCCC2)cc1	841984113	BWQSMWHJQWVDMX-CQSZACIVSA-N	315.377	1.020	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)C1SCCCS1	842232272	FXDFJFZAFWQIBO-UHFFFAOYSA-N	322.415	1.975	50	20	DDGD	
COc1cc(C=NNC(=O)N2CCOCC2)ccc1OC(C)C	745602067	CNUQNLYQOIRWRI-UHFFFAOYSA-N	321.377	1.858	50	20	DDGD	
C[C@@H](CN1CCCC1=O)NC(=O)NNc1cc(F)ccc1F	914276808	BMBGILCWCQBFAR-VIFPVBQESA-N	312.320	1.602	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=Cc2ccc([N+](=O)[O-])cc2)cc1	916300167	QDLDWBNXVYSNIY-UHFFFAOYSA-N	324.296	1.996	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2cc(Br)c[nH]2)c2ncnn21	841619351	VRPCMRVDOBRQLG-LURJTMIESA-N	323.154	1.468	50	20	DDGD	
O=C(NNc1c(F)cccc1Cl)[C@H]1CCCS(=O)(=O)C1	845952394	ABBZLNGCKHPZOK-QMMMGPOBSA-N	320.773	1.747	50	20	DDGD	
C[C@@H](CC(=O)NN=c1cc[nH]cc1)n1cc(Br)cn1	843851775	QSKUSGBNDZCEKL-VIFPVBQESA-N	324.182	1.557	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)COCc2ccccc2)CS1	840420184	RFPZOOAUWPZJCN-AAEUAGOBSA-N	323.418	1.428	50	20	DDGD	
CC(=NNC(=O)COc1cccc(C)c1)c1cn(C)nc1C	917534208	XHFWAYWKCGIHAF-UHFFFAOYSA-N	300.362	1.956	50	20	DDGD	
CCOC(=O)[C@@H](NNC(=O)[C@@H]1CCCCO1)c1ccccc1	842150583	GZPSPIBHHZQWHU-KBPBESRZSA-N	306.362	1.481	50	20	DDGD	
N#Cc1cccc(OCC(=O)NNc2cccc([N+](=O)[O-])c2)c1	748004183	ZVAHKORIMQAIKJ-UHFFFAOYSA-N	312.285	1.989	50	20	DDGD	
COc1ccc2c(c1)[C@@H](C(=O)NNC(=O)c1ccc[nH]1)CCC2	847298814	VXZDUXTZTNXZRL-ZDUSSCGKSA-N	313.357	1.904	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CCO[C@H]2c2ccncc2)nc(C)n1	846634837	CDKXYGPNLFSNPH-HIFRSBDPSA-N	313.361	1.709	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cccc(C(F)(F)F)c1O	847390379	HAYTWBOJNSOEKL-UHFFFAOYSA-N	317.267	1.765	50	20	DDGD	
CCS(=O)(=O)CCCNC(=O)NCCSSC	840368936	UOCFKPNPNBAIQL-UHFFFAOYSA-N	300.471	1.122	50	20	DDGD	
CN1CC[C@@H]1CNC(=O)NNC(=O)Nc1ccc(Cl)cc1	925423208	FWFSXRQDAZLYRA-LLVKDONJSA-N	311.773	1.380	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC[C@H]([C@@H]2CCOC2)C1	866998436	DQRMEJOAFNWNGW-NWDGAFQWSA-N	309.859	1.940	50	20	DDGD	
CCC[C@H](O)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	929341095	KUMAUHORNLVHSW-KOLCDFICSA-N	310.419	1.795	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)c2cc3c(s2)CCC3)CCCO1	755231255	SDEBHCQWFWSBRE-OAHLLOKOSA-N	323.418	1.750	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2ncc(Cl)cn2)cn1C1CC1	857358068	NLCAUUBZQOTQCZ-UHFFFAOYSA-N	319.752	1.692	50	20	DDGD	
C[C@@H](Oc1ccccn1)C(=O)NNc1cc(Cl)nc(N)n1	857486481	MLPBLSNDAYFGKI-SSDOTTSWSA-N	308.729	1.018	50	20	DDGD	
Cc1nc(CCC(=O)NNc2ncccc2[N+](=O)[O-])cs1	759301058	MFBSYNMVXIEKKB-UHFFFAOYSA-N	307.335	1.831	50	20	DDGD	
CCC1(C(=O)NNC(=O)c2ccc(Cl)cc2F)COC1	755378671	YMMKKWYNSMNJAX-UHFFFAOYSA-N	300.717	1.667	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1nc(Cl)ccc1F	759253767	NBNPIFZHNVAZLD-UHFFFAOYSA-N	308.700	1.273	50	20	DDGD	
Cc1cc(CNC(=O)NC[C@@]2(C)C[C@H]2Br)on1	856826610	AWVBYLLJWLMOMW-MWLCHTKSSA-N	302.172	1.956	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccc(C)o2)c([N+](=O)[O-])cc1O	752172635	OZXNLOSIWPIBBW-UHFFFAOYSA-N	319.273	1.974	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1cc([N+](=O)[O-])ccc1O	758118449	YBEIPUOANRXZEH-UHFFFAOYSA-N	310.310	1.360	50	20	DDGD	
NCCCCCC(=O)NNC(=O)Nc1ccc([N+](=O)[O-])cc1	857766536	NRGMJNKXGMHIJK-UHFFFAOYSA-N	309.326	1.267	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc(C#N)c(O)c1)C1CC1	855100099	ULPPZASBFIYVQG-QMMMGPOBSA-N	304.375	1.171	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)[C@H]1CSCCS1	751068653	TYIYZRCVXRXXMA-CYBMUJFWSA-N	305.428	1.948	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NC[C@]1(C)C[C@H]1Br	857398469	RJDMONYUBOAHTR-SKDRFNHKSA-N	321.215	1.755	50	20	DDGD	
C[C@@]1(CNC(=O)NCCN2CCCCC2)C[C@H]1Br	856717906	HCBYJYYTZUXQQY-YPMHNXCESA-N	318.259	1.945	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=S)NC[C@@H]2CCCCO2)c1	758215663	RQYJDSLVBIMNPT-ZDUSSCGKSA-N	318.402	1.236	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(C(F)(F)F)c(F)c1	854921151	YSKVFGJSWGIFLB-UHFFFAOYSA-N	309.288	1.925	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C1CCOc2ccccc21	750939002	VUWOQMVSDXJZNV-UHFFFAOYSA-N	313.313	1.312	50	20	DDGD	
COC1CC(C(=O)NNC(=S)NCCc2cccs2)C1	858228616	XAIKYICGJBYOAY-UHFFFAOYSA-N	313.448	1.211	50	20	DDGD	
COc1nccc(NC(=O)NC[C@@]2(C)C[C@H]2Br)n1	856860116	QZBKYBILGHEMLL-RDDDGLTNSA-N	315.171	1.780	50	20	DDGD	
COC(=O)NCCNC(=O)NNc1c(F)cc(F)cc1F	922776537	UDCDISGZVBNWTL-UHFFFAOYSA-N	306.244	1.086	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1csc(C=O)c1	754999340	BXOQZYAXSJYZTO-UHFFFAOYSA-N	304.327	1.644	50	20	DDGD	
CN1CCC[C@H](NC(=O)NNc2c(F)cc(F)cc2F)C1=O	921313218	OFIHKXAFDCJEBI-JTQLQIEISA-N	316.283	1.351	50	20	DDGD	
CCN(CC(=O)N(C)C)C(=O)/C(C#N)=C/c1ccc(F)cc1	752011823	CSZFZPSIIFDTOS-UKTHLTGXSA-N	303.337	1.669	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Nc2nnc3ccccn23)cc1	756433003	MFLZTYNRHFZYFS-UHFFFAOYSA-N	324.344	1.758	50	20	DDGD	
C=CCCSCCNC(=O)NNC(=O)[C@@H]1CCCCO1	852488262	ZRHYDGRJOIUVAK-NSHDSACASA-N	301.412	1.195	50	20	DDGD	
CC[C@](C)(C=NNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C)OC	853373715	LJABJLCYNLXLRT-XJKCOSOUSA-N	322.409	1.805	50	20	DDGD	
CN(C[C@@H]1COCCO1)/C(=C\C#N)c1cccc([N+](=O)[O-])c1	852496968	UMHATVZIVPIKEH-NBVHUKTGSA-N	303.318	1.806	50	20	DDGD	
CC[C@H](C)n1ncc(C(=O)NNC(=O)c2cc[nH]n2)c1C1CC1	855358006	XZHLHYOUSDQXEK-VIFPVBQESA-N	316.365	1.529	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCC[C@H](C)NC(=O)OC(C)(C)C	857741011	QIFMWOXQRSAXHE-NIANNCQZSA-N	311.382	1.850	50	20	DDGD	
O=C(NN=Cc1cnc2ncccn12)c1ccc(Cl)nc1	755650736	NGUXLEWPBVQXSB-UHFFFAOYSA-N	300.709	1.542	50	20	DDGD	
C[C@H](O)c1ncc(C(=O)NNC(=S)N[C@@H](C)C2CC2)s1	855097816	YIJVUAGXGBRXAC-BQBZGAKWSA-N	314.436	1.104	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CCc3c[nH]nc3C2)c1	858298660	NGFZOLYRUWFRTQ-SNVBAGLBSA-N	319.390	1.281	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NC[C@@]1(C)C[C@@H]1Br	857404149	SCJXJCMFHBVGQU-CMPLNLGQSA-N	300.200	1.859	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)C[C@H]1C=CCCC1	855834144	ZYPRUQOVRMEAQV-ZDUSSCGKSA-N	323.437	1.823	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ocnc1C1CC1	854284918	BWSKKIGBBOHRNR-UHFFFAOYSA-N	312.395	1.040	50	20	DDGD	
Cc1cc(C)c(/C=C/C(=O)NNC(=O)Cc2cc[nH]n2)cc1C	755284110	KKDSTHAILAECHG-SNAWJCMRSA-N	312.373	1.738	50	20	DDGD	
Cc1nn(C)cc1C=NNC(=O)[C@@H](C)Oc1ccc(F)cc1	755563376	RXTDKUROBWJRPN-LLVKDONJSA-N	304.325	1.785	50	20	DDGD	
CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)NNC(=O)C1CCC1	852691185	FPYCAJKKHMDTLX-NHYWBVRUSA-N	311.382	1.239	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](C)Oc1cccc(C(C)=O)c1	854926399	YRRHWJHJKQUUHC-JTQLQIEISA-N	309.391	1.124	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C=NNC(=O)c2cc[nH]n2)c1C	853392642	PKVXXSLUIBQYPP-UHFFFAOYSA-N	303.322	1.295	50	20	DDGD	
CCOC(=O)C1CCC(=NNC(=O)CCN(CC)CC)CC1	750935215	OZXNKONVTFZUEM-UHFFFAOYSA-N	311.426	1.944	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CC[C@]1(C)CCC(=O)N1	753434751	RJHHBTUKWDPEMW-INIZCTEOSA-N	319.361	1.365	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(CN(CC)CC)o1	751367633	AKXYEYGYNHCOGY-UHFFFAOYSA-N	310.398	1.866	50	20	DDGD	
C/C=C(/C=C/C(=O)OCC(=O)NNC(=O)c1cccs1)CC	767662261	IRUKVLKYFVGKOV-ZMSWCZRLSA-N	322.386	1.965	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1	766021854	WVIZZIXJMBODOW-UHFFFAOYSA-N	318.249	1.000	50	20	DDGD	
COC(=O)c1cc(F)cc(C(=O)NNC(=O)NC2CCCC2)c1	930965145	KGKFYVHRFRAWMW-UHFFFAOYSA-N	323.324	1.499	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)C(=O)Nc1cc(OC)n[nH]1	861846443	CSHHDMOGCQFRPP-UHFFFAOYSA-N	317.349	1.371	50	20	DDGD	
C[C@@H](NNC(=O)c1csc(-c2cnccn2)n1)C(F)(F)F	862312328	JMCGJKOQTWBPCV-ZCFIWIBFSA-N	317.296	1.785	50	20	DDGD	
COc1ccnc(NNC(=O)[C@]2(C)CCOc3ccccc32)n1	930077350	QTUPAZVQBOCUQQ-MRXNPFEDSA-N	314.345	1.669	50	20	DDGD	
O=C(NCC(F)F)C(=O)NNc1cc(Cl)cc(Cl)c1	768280949	PMSOEUMEFQZAOJ-UHFFFAOYSA-N	312.103	1.818	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc2oc(C3CC3)nc2c1	763441718	YSXKFOQEKLWELQ-UHFFFAOYSA-N	316.317	1.201	50	20	DDGD	
COCCOCC(=O)NNC(=O)C1(c2cccc(F)c2)CCC1	869912371	JHGMHEVYWVXESC-UHFFFAOYSA-N	324.352	1.058	50	20	DDGD	
COCCOc1cccc(C(=O)NN[C@@H](C)C(F)(F)F)c1	862309306	OWPOCABXWMWRJT-VIFPVBQESA-N	306.284	1.897	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)C(=O)NN=C1CCC(O)CC1	761833508	FHCSDDVDIFQDKO-UHFFFAOYSA-N	323.780	1.363	50	20	DDGD	
Cc1csc(CCC(=O)NNc2ncnc3[nH]cnc23)n1	769988549	CQAGQLXEVQKPBM-UHFFFAOYSA-N	303.351	1.194	50	20	DDGD	
COCC(=O)NN=Cc1csc(-c2cccc([N+](=O)[O-])c2)n1	761817478	DXIVNDZDYRZXQQ-UHFFFAOYSA-N	320.330	1.815	50	20	DDGD	
CCc1ncc(S(=O)(=O)NNC(=O)c2ccc(C)o2)s1	763374581	RBEJEXHQHGFVAL-UHFFFAOYSA-N	315.376	1.230	50	20	DDGD	
CCO[C@H]1CCCC1=NNC(=O)[C@@H]1COc2ccccc2O1	766430457	LDSAUQKRBNLVTO-WFASDCNBSA-N	304.346	1.888	50	20	DDGD	
CC[C@@H](NNC(=O)c1ccc[nH]1)C(=O)N(C)c1ccc(C)cc1	871870865	KNGNNXVFKSADAA-CQSZACIVSA-N	314.389	1.999	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1C[C@H]2CCCc3cccc1c32	763355348	UUOLMUAOKKXKTM-CYBMUJFWSA-N	311.385	1.953	50	20	DDGD	
CCc1cccc2c1N(C(=O)C(=O)NNC(=O)CC1CC1)CC2	764144090	UFHOZSMNKFYJIX-UHFFFAOYSA-N	315.373	1.086	50	20	DDGD	
COc1ccc(C)cc1NC(=O)NNC(=O)C1CCOCC1	877936518	WYAQEYJNQIDUBQ-UHFFFAOYSA-N	307.350	1.583	50	20	DDGD	
CC(C)C(NC(=O)NNC(=O)CNC(=O)c1ccco1)C(C)C	770415460	KCAUCFLNFBNLQM-UHFFFAOYSA-N	324.381	1.020	50	20	DDGD	
CNCCOCCN(C)C(=O)[C@@H](Br)C(C)(C)C	877029145	TWIISPXOHLYXCY-SNVBAGLBSA-N	309.248	1.490	50	20	DDGD	
CC(C)[C@](C)(O)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	771354661	RVBDUDVOUIPWQY-INIZCTEOSA-N	316.361	1.040	50	20	DDGD	
CC#CCCCC(=O)NNC(=S)Nc1ccc(OC)nc1	874954519	WANIYRSAQNAFPL-UHFFFAOYSA-N	306.391	1.601	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCC2(CCSCC2)CC1	870253664	JSQNLLRCHAHSAF-UHFFFAOYSA-N	319.235	1.116	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@]1(C)OCCc2sccc21	875595647	CKPMRZYNVCCHHO-ZDUSSCGKSA-N	313.379	1.448	50	20	DDGD	
CC(C)c1nccn1CC(=O)NNC(=S)Nc1ccccn1	874957959	ZOMMXGXMYOWIMF-UHFFFAOYSA-N	318.406	1.419	50	20	DDGD	
CC(=O)N[C@@H](CC(C)C)C(=O)NNc1nccnc1C(C)C	772889282	LRLIYUHZJJKWAS-LBPRGKRZSA-N	307.398	1.594	50	20	DDGD	
CN1CCCC[C@@H]1C(=O)NNc1cccc(S(C)(=O)=O)c1	776537077	HVNFCCBKHSCGBS-CYBMUJFWSA-N	311.407	1.018	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NNC(=O)Cc2cn3ccccc3n2)C1	776334502	SRDNFROOCVVNSX-NEPJUHHUSA-N	300.362	1.460	50	20	DDGD	
CC[C@H](CO)C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	779723860	BVBAYKCKFZUYOZ-VHSXEESVSA-N	310.419	1.652	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)C1CCOCC1)CC(F)(F)F	883691657	METLGDPUPYSPMQ-QMMMGPOBSA-N	311.304	1.332	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NOC1CCOCC1)c1ccccc1	773536009	SXFVRUZTGYBDCH-CQSZACIVSA-N	321.377	1.621	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@H]1CCCN1CC(C)C	1120619112	SXYQKIYXVPWPCT-MRXNPFEDSA-N	317.433	1.805	50	20	DDGD	
CCN1CCC[C@H](NC(=O)NNc2cc(Cl)ccn2)C1=O	1122098900	AXGGRHJZCLGBEU-JTQLQIEISA-N	311.773	1.372	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H]1CCCN1CC(=O)NNC(=O)C(C)(C)C	773541849	FEXSCLLNVAJHIM-LBPRGKRZSA-N	321.425	1.357	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cc(F)cc(F)c1O	884434632	RZYJNTITXMBGSC-MRVPVSSYSA-N	302.277	1.172	50	20	DDGD	
COc1ccc(CC(=O)NNc2ncncc2Cl)cc1F	781831497	IFJCBEYYFBGFIY-UHFFFAOYSA-N	310.716	1.964	50	20	DDGD	
CN(C)C(=O)NNC(=O)C1CCC(NC(=O)C(C)(C)C)CC1	788743163	TWHPOMJGFWKDAB-UHFFFAOYSA-N	312.414	1.010	50	20	DDGD	
CCOC(=O)C1(CNC(=O)NNc2ccc(OC)cn2)CCC1	780998917	GWSNPLULNYUIER-UHFFFAOYSA-N	322.365	1.450	50	20	DDGD	
COc1ccc(NS(=O)(=O)CCCCCl)c(OC)n1	788058928	CPPXKXAQRLLZSD-UHFFFAOYSA-N	308.787	1.860	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cn(-c2cc(C)cc(F)c2)nn1	788742102	MDOMQTHUEYUVNF-UHFFFAOYSA-N	320.328	1.069	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cn2ccc3ccccc32)ccn1	789936446	WALPIMBUPXGKAI-UHFFFAOYSA-N	308.341	1.806	50	20	DDGD	
COCC(=NNC(=O)COc1ccc(F)cc1)C1CCOCC1	780197502	YMYYWOLTLWOBAR-UHFFFAOYSA-N	324.352	1.750	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(C)cc1OC	780785052	HISMOGVPCPUQJT-UHFFFAOYSA-N	321.377	1.069	50	20	DDGD	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NN=CC2(C)CC2)cc1	782142930	KRTPFKNYVHKUFR-UHFFFAOYSA-N	323.418	1.518	50	20	DDGD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)CBr)c1	782461538	IJELWGXNFAKPKK-ZETCQYMHSA-N	324.196	1.734	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNc2ccc(Cl)nc2)c1	784869651	DBVMNRYNYWJZMG-UHFFFAOYSA-N	320.736	1.825	50	20	DDGD	
C[C@@H]1CN(C[C@@H]2[C@H](C)[C@@H]2Cl)C[C@H]1C(=O)N1CCOCC1	895221369	PEFGLMDHWCTPNR-ITGHMWBKSA-N	300.830	1.286	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)O[C@@H](Cc1ccc(F)cc1)C(N)=O	786677588	IKWXXBBUMOKWAR-GMMCIKNFSA-N	302.305	1.625	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21	899999509	PMVSNERUIHQMQG-YNEHKIRRSA-N	303.431	1.866	50	20	DDGD	
O=C1C[C@H](C(=O)NN=c2cc[nH]cc2Cl)c2ccccc21	789847956	QKRNKUDHNHXLCF-NSHDSACASA-N	301.733	1.970	50	20	DDGD	
CCC(=NNC(=O)COc1ccccc1[N+](=O)[O-])c1cn[nH]c1	788977464	LIZWCPCXHYKSIY-UHFFFAOYSA-N	317.305	1.627	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CCN(CC(F)(F)F)C2)ncn1	792639681	VDOKZHMVQINVCA-VIFPVBQESA-N	303.288	1.112	50	20	DDGD	
O=C(NNS(=O)(=O)CCc1cccs1)c1ccccc1	790005307	OJNWIWXYYXTEMK-UHFFFAOYSA-N	310.400	1.555	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNC(=S)NC(C)(C)C	899992214	RSGIDZVORCQKNZ-SNVBAGLBSA-N	314.455	1.071	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@@H]1CC(=O)N(C2CC2)C1	791070498	MGYHLMUIHHNLHG-MRVPVSSYSA-N	322.296	1.188	50	20	DDGD	
CCc1cnc(NC(=O)NNC(=O)c2cccc(C)n2)s1	797630331	UWDXYCSIILGXSK-UHFFFAOYSA-N	305.363	1.875	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1occ2c1CCOC2	794794657	KWZHGVYKXKRRAY-UHFFFAOYSA-N	300.314	1.736	50	20	DDGD	
CN(N)C(=O)[C@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1	1573877111	CWFOHRNUPJNODU-NSHDSACASA-N	311.304	1.508	50	20	DDGD	
Cc1cc(C(=O)NNc2cc(C#N)cc(Cl)n2)cc(O)n1	1319872548	ZMOWBLXIMXWJQX-UHFFFAOYSA-N	303.709	1.773	50	20	DDGD	
CNc1ccc([N+](=O)[O-])cc1C(=O)NNc1ncccc1F	1323991559	WHVJYXZUONVJPE-UHFFFAOYSA-N	305.269	1.928	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(Cn2cccc2)cc1	1322554495	CYZGOANKYAGGGC-UHFFFAOYSA-N	314.414	1.831	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(C)nc2cc(F)ccc12	1323594796	CFOFIKSSXSRQPM-UHFFFAOYSA-N	304.325	1.988	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cnn(C2CCCCC2)c1	1328013352	LOHVBBGVSYIDDE-AWEZNQCLSA-N	320.393	1.718	50	20	DDGD	
CN[C@H](CC(C)(C)C)C(=O)NNc1nncc(N)c1Cl	1328523208	WDVSGSYCCCFXOB-MRVPVSSYSA-N	300.794	1.180	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccnc(-c2ccccc2)c1	1338057073	KNYJIHQETBPVGM-UHFFFAOYSA-N	300.318	1.284	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N2C[C@H]3C=C[C@H]2C3)C[C@H]1Br	1338097471	LHCANWXWMPPTQZ-QISWUMQESA-N	313.195	1.063	50	20	DDGD	
Cc1ccnc(O)c1C(=O)NNc1nc(-c2cccnc2)no1	1341979632	KGPJFXQYKCAXTA-UHFFFAOYSA-N	312.289	1.298	50	20	DDGD	
C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C1CCC(Cl)CC1	1520263456	ASRVHFKFOXETLK-HIFPTAJRSA-N	315.845	1.362	50	20	DDGD	
O=C(CCCOc1cccnc1)NNc1ccc(C(=O)O)cn1	1601269993	WGZJOSPZOIOBGX-UHFFFAOYSA-N	316.317	1.477	50	20	DDGD	
Cn1nnc2ccc(C(=O)NNc3ccccc3C(=O)O)cc21	1601041863	DSIIQMCEDNKKNO-UHFFFAOYSA-N	311.301	1.423	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccc(CC(=O)O)cc1)c1cnn(C)c1	1604068603	SCXBBPRLZVLMIE-NSHDSACASA-N	316.361	1.684	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H]2Br)C[C@H]1CC(=O)O	1607429783	BNYIRLCAVNEUFN-XBWDGYHZSA-N	304.184	1.729	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)Nc1ccc(C(=O)O)nn1	1608482657	HCNMMKGYTKFYTF-UHFFFAOYSA-N	308.685	1.372	50	20	DDGD	
Cc1ccccc1NNC(=O)C(=O)Nc1cccnc1C(=O)O	1605356434	YFJXAQFKMITRAW-UHFFFAOYSA-N	314.301	1.170	50	20	DDGD	
O=C(O)COc1ccc(NC(=O)NNC(=O)C2CCC2)cc1	1608761854	BVXBZBYWCMJOBT-UHFFFAOYSA-N	307.306	1.103	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)[C@@H]1CC[C@H]2C[C@H](C)CN2C1	1548642478	OQPUVHYTUXODPY-WCQGTBRESA-N	322.434	1.333	50	20	DDGD	
CCn1ccc(C(=O)NNc2ccc(C(=O)O)cc2OC)n1	1610083373	UCQBFOPBSKDUNI-UHFFFAOYSA-N	304.306	1.367	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@H]1C(=O)NN=C1COC(C)(C)C1	1549318754	YUSUOJHTHXKNKX-OLZOCXBDSA-N	320.393	1.559	50	20	DDGD	
N#CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(Cl)Cl	1802341104	ISAIORVXOVQLFO-AYMMMOKOSA-N	304.177	1.342	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)c(Cl)c1)c1cccc(O)n1	1610701413	NWFZROWFTKPFFQ-UHFFFAOYSA-N	307.693	1.896	50	20	DDGD	
C/C=C(\C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2	1801608667	HONYVDUUXDGNEI-YSSMSZQTSA-N	314.813	1.191	50	20	DDGD	
O=C(O)COCCOCCNC(=O)c1cccc(CCl)c1	1574730622	PXYHTHKAFYIYCV-UHFFFAOYSA-N	315.753	1.273	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Cn1c(CN)nc2ccccc21	1575230294	BDZZBCDKKMTXJM-UHFFFAOYSA-N	319.365	1.051	50	20	DDGD	
C[C@@]1(C(=O)NNc2nc3ccccc3[nH]c2=S)CCNC1	1573600456	FIDHDYYZSNVQNX-CQSZACIVSA-N	303.391	1.735	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cccc(OCc2cnn[nH]2)c1	1576917021	CKWMTNXGTDLVQG-UHFFFAOYSA-N	320.309	1.118	50	20	DDGD	
COc1cccc(C(=O)NNc2ccc(C)c(C(=O)O)c2)n1	1599642459	NVGQTNSQPHQCRS-UHFFFAOYSA-N	301.302	1.854	50	20	DDGD	
CC(C)(CNC(=O)NNc1ccc(Cl)nc1)CC(=O)O	1590726673	UCRHMSUFINSBPA-UHFFFAOYSA-N	300.746	1.862	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCC(CC(=O)O)CC1	1599246559	CAHFERCPUUKYKR-NFJWQWPMSA-N	300.355	1.175	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)Nc1ccc(F)nc1F	1594781763	GELWALCOMAQLOS-UHFFFAOYSA-N	309.232	1.602	50	20	DDGD	
CCC(C)(C)CCNC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1590375248	DFFBHVXYWIACNJ-UHFFFAOYSA-N	318.385	1.714	50	20	DDGD	
O=C(/C=C\c1ccnc(Cl)c1)NNc1ncccc1C(=O)O	1594675215	QUXZSKXKIRQUCT-ARJAWSKDSA-N	318.720	1.985	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C1CCCC1	15977753	AUVSLRVWXVSDOB-UHFFFAOYSA-N	307.306	1.311	50	20	DDGD	
COC(=O)NNC(=O)Cc1c(C)nn(-c2ccccc2)c1C	158704186	OZODDAROGDHRTF-UHFFFAOYSA-N	302.334	1.419	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1cnn(C)c1)c1ccc(F)cc1F	152499419	MFUNFDUASFCNIP-VIFPVBQESA-N	322.315	1.653	50	20	DDGD	
CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NNc1ccccc1F	153147672	DGVYXRPCTMKYJY-LLVKDONJSA-N	317.386	1.233	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H](N)CCSC)c1ccccc1	157320398	KDNOEYKTPYMWDQ-QWHCGFSZSA-N	309.435	1.408	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Cc1ccc(F)cc1F	154729037	XQRLTAHKEVNIMW-UHFFFAOYSA-N	305.284	1.292	50	20	DDGD	
Cc1cccc([C@@H](O)CNS(=O)(=O)CCCCCl)c1	154755553	DXGPLNNLIJCRQV-ZDUSSCGKSA-N	305.827	1.967	50	20	DDGD	
COCCN1C[C@@H](C(=O)NNc2cc(C)ccc2C)CC1=O	159008815	OTHBUJMVGMKXIG-ZDUSSCGKSA-N	305.378	1.241	50	20	DDGD	
OCCO[C@@H]1CCCN(C[C@@H](CBr)C2CC2)C1	859142120	SXDFJGYXFNXCIN-CHWSQXEVSA-N	306.244	1.881	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@@H]1C[C@H]2CC[C@H]1O2	862287909	ZDXZIWSUEHJXMC-MGPQQGTHSA-N	304.346	1.854	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2ccc(F)cc2)c1	6124880	IFDFVHZPBFGAEK-UHFFFAOYSA-N	301.321	1.967	50	20	DDGD	
CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)CC(C)C)cc1	7386686	ROCQWVICZVXHOX-UHFFFAOYSA-N	313.379	1.001	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)NNc1ccnc2ccccc12	106925076	TZGXTCWZSARTIO-UHFFFAOYSA-N	321.402	1.749	50	20	DDGD	
C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=S)NC(C)(C)C	8302338	MZRWSFWSTXSOJA-JTQLQIEISA-N	320.418	1.619	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)Nc1cccnc1	106252054	RCUZUFZQDWHQFY-UHFFFAOYSA-N	300.318	1.573	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccnc(-n3cccn3)c2)nn1	106259166	BQDOJLDJADQIMZ-UHFFFAOYSA-N	324.348	1.192	50	20	DDGD	
O=C(CSCc1ccccn1)NNc1ccc(Cl)nn1	118504267	CZTKMXLYHGVZKI-UHFFFAOYSA-N	309.782	1.902	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@H](C)CN2CCCCC2)n1	57041491	OELRNIGCNPYXKW-LBPRGKRZSA-N	322.413	1.233	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2c(C)nc3ccccn23)n1	26266796	BHOMGFCWFXBKQR-UHFFFAOYSA-N	309.329	1.421	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C1CCN(CC(F)(F)F)CC1	103197698	JUDVDKBJGWGTAI-UHFFFAOYSA-N	323.359	1.844	50	20	DDGD	
C[C@H](C(=O)NNc1ncnc2nc[nH]c12)c1cccc(F)c1	173934766	GIABBZHSLDRYEB-QMMMGPOBSA-N	300.297	1.739	50	20	DDGD	
N#Cc1cccc(NNC(=O)C(=O)Nc2cc(F)cc(F)c2)c1	119516459	YXHGXHPNKIEOFR-UHFFFAOYSA-N	316.267	1.918	50	20	DDGD	
C[C@@H](CCN(C)C)NC(=O)NNC(=O)CCOc1ccccc1	64229019	XSWUTTYKMBVKNC-ZDUSSCGKSA-N	322.409	1.126	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)CC[C@@H]1CCCO1	63638978	ZAYOAKVFKMXZOY-LBPRGKRZSA-N	322.361	1.181	50	20	DDGD	
CN(C)N(C(=O)C1CCC(C)(C)CC1)[C@@H]1CCS(=O)(=O)C1	119751847	OJNDSPVDDBOPSJ-CYBMUJFWSA-N	316.467	1.695	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@](C)(c2ccccc2)C1	113264946	ZFVZCPQRLWGSPF-KBXCAEBGSA-N	317.433	1.986	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)[C@@H]1CC1(Cl)Cl	110682941	OAFGRNVPSFDOGP-ZETCQYMHSA-N	314.132	1.769	50	20	DDGD	
CCCCCCNC(=O)NNC(=O)Cc1cn2ccccc2n1	175150474	CJOJQYDATDMDGH-UHFFFAOYSA-N	317.393	1.788	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2ccc(F)cc2)c1	60934823	YPYQQQBLYOZIEN-UHFFFAOYSA-N	317.320	1.707	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H](C)CSC)cc1	66766132	IABBNKTXIPHZLZ-NSHDSACASA-N	310.419	1.774	50	20	DDGD	
O=C(NC[C@@H](O)c1cccc(F)c1)NNC(=O)c1ccccc1	69078092	MSXDNRRLXNISJU-CQSZACIVSA-N	317.320	1.503	50	20	DDGD	
C[C@@H](OC[C@H]1CCCCO1)C(=O)NNC(=O)c1ccccc1O	66896962	VDVTUKLIVSTXIA-VXGBXAGGSA-N	322.361	1.127	50	20	DDGD	
CC(=O)NNC(=O)c1sc(Cc2ccc(F)cc2)nc1C	31591500	JEUBFHNWPWZBEC-UHFFFAOYSA-N	307.350	1.962	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCCCN1CCc2ccccc2C1	32079852	JCCSLFYMUAXPDI-GHRIWEEISA-N	313.401	1.995	50	20	DDGD	
CNC(=O)c1ccccc1NS(=O)(=O)CCCCCl	184754981	BWKLCHQWXVYJCS-UHFFFAOYSA-N	304.799	1.807	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2ccc(Cl)cc2F)n[nH]1	122786073	YJIVCCAFPUIVEQ-UHFFFAOYSA-N	310.716	1.514	50	20	DDGD	
CC(C)N1CC[C@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)C1=O	182995552	ZVOPZXNKRTUNPG-CTXBLAANSA-N	315.348	1.858	50	20	DDGD	
CCCc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)CC)cc1	124800509	MQRKNDDACNNUEH-NSHDSACASA-N	305.378	1.771	50	20	DDGD	
COC(=O)c1occc1/C=C(\C#N)C(=O)NCc1ccco1	73116125	UBBAYVYGGXYEJA-YRNVUSSQSA-N	300.270	1.883	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNC(=O)CCc1ccccc1	182401894	XFCKAQZKSIRVGB-UHFFFAOYSA-N	320.389	1.746	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CSc1nc2ccccc2[nH]1	120059090	UTBUFFNPQHNKFE-UHFFFAOYSA-N	307.379	1.394	50	20	DDGD	
CO[C@@H](C)CCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	182964183	XMOITFIAJBLJOJ-NSHDSACASA-N	316.361	1.653	50	20	DDGD	
O=C(NNc1nnc(C2CC2)s1)c1cnn2c1CCCC2	184529160	LEICDAKDRLEYLU-UHFFFAOYSA-N	304.379	1.705	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)ncn1	134674802	KIFPTQYJUKZBID-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
COc1cccc(NNC(=O)NC2CCN(CC(C)C)CC2)n1	181005803	MMTWUVYGIUNJEF-UHFFFAOYSA-N	321.425	1.837	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)/C=C/c2ccc[nH]2)nc1C	188720911	VFXUXCYIJTZRHY-VOTSOKGWSA-N	315.333	1.446	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)COc2ccccc2F)n[nH]1	44819755	WKDUAYMEQJWCMV-UHFFFAOYSA-N	320.324	1.512	50	20	DDGD	
Cn1c(NNC(=O)C[C@H]2CCCOC2)nc2ccccc2c1=O	193256027	AMOIVDMHAXGCFD-LLVKDONJSA-N	316.361	1.193	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2c(Cl)cccc2Cl)CCN1	133275833	JFQIDBIQOVWWEJ-ZETCQYMHSA-N	302.161	1.963	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)COc1cc(Cl)cc(Cl)c1	190056742	NJENRLJVQBQNCK-UHFFFAOYSA-N	321.160	1.291	50	20	DDGD	
CO[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)Cc1ccccc1C	134056333	BNQGOBJZFFRWDA-HUUCEWRRSA-N	319.405	1.826	50	20	DDGD	
Cc1cc(C)c(NNC(=O)C(=O)Nc2cc(C)nn2C)c(C)c1	132151026	JIPHRLYUXFSUJA-UHFFFAOYSA-N	315.377	1.736	50	20	DDGD	
CC(=O)NNC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1	45826797	MCGHXVKDRCCIDF-CYBMUJFWSA-N	311.341	1.360	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)NC1CCCCC1	42084315	WTTLHQOFNLBASH-UHFFFAOYSA-N	309.341	1.868	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NNc1nc2ccccn2n1	191915221	WOMBNQVEKALFLM-UHFFFAOYSA-N	321.344	1.531	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCS[C@H](C)[C@H]1C	265546109	SCKUWRNQHCUFSL-GHMZBOCLSA-N	323.418	1.875	50	20	DDGD	
O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NNC(=O)NC1CC1	363099182	MMJUMUSJJSEUCX-CHISNJGVSA-N	307.394	1.201	50	20	DDGD	
NNC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl	270245775	SPCANLJXQOCJTO-UHFFFAOYSA-N	324.189	1.038	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H](F)C(F)(F)F)cc1	278586014	JZHMVQVVSCTLNZ-JTQLQIEISA-N	307.247	1.455	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@H]1CCN(c2ccccn2)C1	270058011	KAIRSIOBEIWDMK-NSHDSACASA-N	321.381	1.399	50	20	DDGD	
O=C(NC[C@@H]1COC2(CCCCC2)O1)NNc1cccnn1	271814821	JQDHEHXPDGXWDI-LLVKDONJSA-N	307.354	1.179	50	20	DDGD	
CC(C)OC[C@@H]1CN(CCI)CCO1	368977451	GWFUJGFUIARCOZ-JTQLQIEISA-N	313.179	1.547	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NOC[C@H]2CCOC2)cc(C#N)n1C	276498080	UIPSRZKFYXDPKX-FUFNBDOUSA-N	314.345	1.196	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)N1CCN(C)CC1)c1ccccc1	278725164	URDFPECCNGTHJS-OAHLLOKOSA-N	318.421	1.414	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ncccc1OCCCC#N	276010335	APDYJKDQQARWNN-LLVKDONJSA-N	319.365	1.963	50	20	DDGD	
C[C@@H](NC(=O)[C@@H](Br)C(C)(C)C)c1nncn1C	272616884	PQVXSBRFDHOINA-HTQZYQBOSA-N	303.204	1.802	50	20	DDGD	
CC(=O)NCCNC(=O)NNc1cc(Cl)cc(Cl)c1	276737417	VORMDYXYZWIOJH-UHFFFAOYSA-N	305.165	1.756	50	20	DDGD	
CC(C)(O)CC(=O)NNC(=O)c1ccc(Cl)cc1Cl	279930020	KXTXRMQHMGQIRG-UHFFFAOYSA-N	305.161	1.915	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1)NC1CC1	274291945	COAAGHIRXJWYCN-IUCAKERBSA-N	313.279	1.700	50	20	DDGD	
C[C@@H]1C[C@H](N2CCCC2)CN1CCI	375784960	ABYXVPBXKPPMIH-MNOVXSKESA-N	308.207	1.980	50	20	DDGD	
CCOC(CCNC(=O)NNc1cccc(F)n1)OCC	287293071	TYKNZCIDWKTECU-UHFFFAOYSA-N	300.334	1.636	50	20	DDGD	
O=C1O[C@H](C(=O)NNc2ncccc2F)Cc2ccccc21	375925190	RTQFMFZETKDKAP-LBPRGKRZSA-N	301.277	1.446	50	20	DDGD	
N#CC1(C(=O)NNC(=O)Nc2ccc(Cl)cc2)CCOCC1	283809729	XAYJUQXGTUDEEV-UHFFFAOYSA-N	322.752	1.813	50	20	DDGD	
COC(=O)C1(C(=O)NNC(=O)Nc2cccc(Cl)c2)CC1	283779817	QZHSCSVSXCMZNJ-UHFFFAOYSA-N	311.725	1.446	50	20	DDGD	
COC(=O)N(C)NC(=O)CC[C@H]1Cc2ccccc2NC1=O	286526397	XXTXVAJCNTWFPI-NSHDSACASA-N	305.334	1.307	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cccc(OC[C@@H]2CCCO2)c1	294330261	YVNAPMHJKAOVGN-HNNXBMFYSA-N	318.373	1.806	50	20	DDGD	
CC(=O)c1cccc(OCCCC(=O)NNC(=O)N(C)C)c1	299395585	VDMGTCWZKYICGZ-UHFFFAOYSA-N	307.350	1.351	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1cnc2[nH]c(O)nc2c1	809799054	GUFHHQPQFPPUBC-UHFFFAOYSA-N	321.300	1.364	50	20	DDGD	
COCCOc1cncc(C(=O)NNc2cccc(F)n2)c1	804768372	ANTRRSPELANGOV-UHFFFAOYSA-N	306.297	1.398	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1cccc(Cl)n1	293628487	GFNUKZRUMOEQII-UHFFFAOYSA-N	300.746	1.657	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)[C@H]3CCCN3C)cc2C1	299502398	ICRMDESSFWLYDK-CMPLNLGQSA-N	321.446	1.728	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cc(C)cc(C)n2)c1O	801160881	SOZFRVOCPYIGLO-UHFFFAOYSA-N	315.329	1.487	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(CN2CCCCC2=O)cc1	804125856	DELQZHGGGLHKFT-UHFFFAOYSA-N	319.361	1.542	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)COc1ccc(F)cc1	299302248	OWJGOMMKEYGDFA-LLVKDONJSA-N	310.325	1.333	50	20	DDGD	
CC(C)CCC(=O)NCC(=O)NNc1ncc(F)cc1F	296827308	DDMBQVWKXMXOBI-UHFFFAOYSA-N	300.309	1.355	50	20	DDGD	
CCc1[nH]ccc1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	803774104	DFDILWDZVXXNNN-SNVBAGLBSA-N	309.366	1.316	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1ccc(C(=O)N(C)C)cc1	298758243	WDQZMPDUMBBTQQ-UHFFFAOYSA-N	320.393	1.265	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)O1	294250523	NYBKCNACPDOWKN-VKKKGTNTSA-N	306.337	1.644	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1	294569326	VJRACLVTZBJKBR-UHFFFAOYSA-N	321.333	1.751	50	20	DDGD	
COCCN(C)NC(=O)c1cc2c(nc1O)CC(C)(C)CC2=O	293522326	DDGAABAMYGCJCE-UHFFFAOYSA-N	321.377	1.165	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@H](C)N(C)c1ccccc1	298653835	KNZUEEWFNCSSHE-ZDUSSCGKSA-N	306.410	1.888	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1	808074821	LJKSDVDQQYBDOM-KGLIPLIRSA-N	311.426	1.025	50	20	DDGD	
CC(=O)NNC(=O)[C@@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1	298395531	FRWDJPIGYQPBPR-CYBMUJFWSA-N	303.362	1.132	50	20	DDGD	
Cc1cc2c(cc1C)O[C@@H](C(=O)NNC(=O)[C@H]1CCCCO1)C2	295639419	TXOAJAUKGQYQKG-UKRRQHHQSA-N	318.373	1.323	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)Cc1ccc(-n2cnnn2)cc1	808245363	AWYUFLSYGFDHSW-UHFFFAOYSA-N	314.176	1.467	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNC(=O)c1cc(Cl)ccc1O	806355607	XWINKXRFFQHSCV-UHFFFAOYSA-N	321.720	1.028	50	20	DDGD	
COCc1cc(NC(=O)NNC(=O)OC)cc(C(=O)OC)c1	297344426	IQBUJNTUNGHOHT-UHFFFAOYSA-N	311.294	1.012	50	20	DDGD	
COc1cccc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)n1	803435756	ABHPHPKTUOVAEO-UHFFFAOYSA-N	310.313	1.689	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc2c(c1)NC(=O)CCS2	299383448	OSZCQXVBAYLYCQ-UHFFFAOYSA-N	308.363	1.037	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)COC(F)F	803163240	QCUZJHGJRZFQFW-UHFFFAOYSA-N	305.306	1.252	50	20	DDGD	
C[C@H](OCCc1ccccc1)C(=O)NNC(=O)NC1CCCC1	294696244	KVKZNKIVNFRJMS-ZDUSSCGKSA-N	319.405	1.907	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cncc(C(F)(F)F)c1	808371388	NCSBQGFLWSGZQY-UHFFFAOYSA-N	324.262	1.499	50	20	DDGD	
CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NNC(=O)CC1CC1	819104339	JDTUOYBKMNQUNG-LBPRGKRZSA-N	309.410	1.361	50	20	DDGD	
CC(=NNC(=O)COc1cccc(C)c1)c1csc(N)n1	812387343	KIRIYYALRMWARG-UHFFFAOYSA-N	304.375	1.953	50	20	DDGD	
COc1ccccc1[C@H](C)CC(=O)NNC(=O)c1ccnnc1	817694248	WBSUUIDVMUSUOH-LLVKDONJSA-N	314.345	1.440	50	20	DDGD	
CCc1ccc(C(=O)NNS(=O)(=O)C[C@@H](CC)OC)cc1	817348472	LVXXKXMXQRYHIV-CYBMUJFWSA-N	314.407	1.238	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)CC(C)(C)C)C(=O)O	818626770	IVCPAFLABPEZOF-UHFFFAOYSA-N	301.387	1.644	50	20	DDGD	
O=C(NC[C@H]1C[C@H]2C=C[C@H]1CC2)NNC(=O)[C@@H]1CCCCO1	817171602	KWMGNZFCAOXOFS-FQUUOJAGSA-N	307.394	1.488	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)NOC/C=C\Cl	812709457	WLCIIHTWTGGVJB-DJWKRKHSSA-N	314.685	1.223	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)NCCc1cccs1)C1CCC1	813424268	JOSSCHGFHJYRRS-AWEZNQCLSA-N	311.407	1.172	50	20	DDGD	
CC(C)(O)CN1CCC(=NNC(=O)c2ccc(C#N)cc2)CC1	814220067	VPWKKFMMOXHVFD-UHFFFAOYSA-N	314.389	1.511	50	20	DDGD	
NC(=O)COc1ccccc1C(=O)NNc1cccc(Cl)n1	817005490	WBSDNJMWAORFIS-UHFFFAOYSA-N	320.736	1.356	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1CC[C@H](C(=O)O)[C@@H](C)C1	814794360	DWJIHDZHWDUWGB-RCOVLWMOSA-N	310.379	1.640	50	20	DDGD	
N#Cc1ccc(CC(=O)NNC(=O)c2cccc(C#N)c2)cc1	728825775	PZPKZAYQICMTKJ-UHFFFAOYSA-N	304.309	1.434	50	20	DDGD	
CCN(CCO)NC(=O)Cc1nc(-c2ccccc2)oc1C	823841160	DNCRVITUNAMHND-UHFFFAOYSA-N	303.362	1.538	50	20	DDGD	
CCOC(=O)c1cc(C(=O)NNC(=O)C2CCCC2)[nH]c1C	822474103	GXMOEOXIFAOPQW-UHFFFAOYSA-N	307.350	1.451	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)CC(F)(F)F)c2c1CCCC2	825503635	CVVIBZNROCMXGZ-UHFFFAOYSA-N	304.272	1.012	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2nnc(N)o2)cc1	491162352	RMRMDZBSYMPOQC-XFFZJAGNSA-N	313.317	1.274	50	20	DDGD	
Cc1oc(-c2ccsc2)nc1CC(=O)NN(C)[C@@H](C)CO	823965730	TVTNLMDHMRLBBM-VIFPVBQESA-N	309.391	1.598	50	20	DDGD	
C[C@H](NCc1cccc(B(O)O)c1)c1cccc(N2CCCC2)c1	585027889	AIZXLODVJSVNET-HNNXBMFYSA-N	324.233	1.817	50	20	DDGD	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](B(O)O)C1	585075536	SBIVCBCTESIRAG-UWVGGRQHSA-N	324.167	1.151	50	20	DDGD	
CN(CCCC(=O)NNC(=O)c1cc2ccccc2o1)C(=O)O	828285445	OWRYDDMLCOJZPW-UHFFFAOYSA-N	319.317	1.584	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1cc(F)ccc1F	825937787	CAODQYBUVDLYBJ-KCJUWKMLSA-N	313.304	1.220	50	20	DDGD	
C[C@H]1SCC[C@H]1NC(=O)NNC(=O)c1cccc(C#N)c1	825895565	OUKXEJPWAWBDSI-BXKDBHETSA-N	304.375	1.396	50	20	DDGD	
OB(O)c1ccc(CNC[C@H]2C[C@@]23CCCc2ccccc23)o1	585028274	IJTPWIUCSDVZIJ-KDOFPFPSSA-N	311.190	1.343	50	20	DDGD	
CN(NC(=O)CCCCN1CCOCC1)C(=O)OC(C)(C)C	497145128	KVXVNFGEAZYUIS-UHFFFAOYSA-N	315.414	1.387	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@]2(C)C[C@@H]2Br)n1	906878432	NFWXLOJIGOPYTM-WRWORJQWSA-N	315.171	1.410	50	20	DDGD	
O=C(Cc1cccc(F)c1)NNc1cccc(-c2nn[nH]n2)c1	826423160	BBTNGPBUDHEQCM-UHFFFAOYSA-N	312.308	1.692	50	20	DDGD	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1cccc(B(O)O)c1	584912246	LVQMNIQAXANJPP-MAZHCROVSA-N	319.210	1.679	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@@H](C)NC(=O)NNC(=O)OC(C)(C)C	497035785	NIBZBROOJRXQQB-YMTOWFKASA-N	301.387	1.929	50	20	DDGD	
Cc1c(NC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)cnn1C	490726973	WMORVLBIABDTDQ-ACAGNQJTSA-N	308.345	1.793	50	20	DDGD	
COc1cc(NNC(=O)NC[C@H](C)N(C)C)ccc1Cl	838684005	KBSCFHZTTCBOMP-VIFPVBQESA-N	300.790	1.925	50	20	DDGD	
C[C@@H](NCc1ccccc1B(O)O)[C@@H](O)c1ccc(Cl)cc1	585025198	OBEKCIFYPGEJLW-BDJLRTHQSA-N	319.597	1.232	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)Nc1cc(C(=O)O)[nH]n1	902675613	ASGHYJSEBMIGDS-SSDOTTSWSA-N	304.144	1.856	50	20	DDGD	
CC(C)CN(C)c1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cc1	585068433	AVFHKJSAQPIRBO-CQSZACIVSA-N	304.199	1.468	50	20	DDGD	
COCC(COC)NC(=O)NNc1cc(F)c(F)cc1F	838677546	ORTAKWJNICRTQO-UHFFFAOYSA-N	307.272	1.391	50	20	DDGD	
CC(C)(C)c1csc(CNCc2ccc(B(O)O)cc2)n1	585022026	HJQGLRDCUKGOJY-UHFFFAOYSA-N	304.224	1.410	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@H]1C[C@]12CCOc1ccccc12	584913189	QPWYMNTTXYEAGP-QAPCUYQASA-N	323.157	1.045	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)N2CC[C@@H](B(O)O)C2)c1	585070694	CSFXBTCDKQMDQF-CYBMUJFWSA-N	305.183	1.573	50	20	DDGD	
Cc1cc(O[C@H](C)C(=O)N2CC[C@@H](B(O)O)C2)ccc1C(C)C	585068963	JRLOSDPTKLKYIZ-ZIAGYGMSSA-N	319.210	1.961	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNC(=O)[C@H](CC)c1ccccc1	732132033	AWMJHRRNYPOAIG-CVEARBPZSA-N	313.401	1.425	50	20	DDGD	
O=C(COCC1CCCC1)NNC(=O)c1cccc([N+](=O)[O-])c1	836184961	LZPNAIWSVFULGV-UHFFFAOYSA-N	321.333	1.563	50	20	DDGD	
CC(CCN1C(=O)c2ccccc2C1=O)=NNC(=O)c1ccc[nH]1	730948104	YMNXDMHZTVGNQX-UHFFFAOYSA-N	324.340	1.807	50	20	DDGD	
CC(C)(C)c1ncsc1C(=O)Nc1cccc(B(O)O)c1	584913398	VOGLWQJCPPJPTO-UHFFFAOYSA-N	304.180	1.373	50	20	DDGD	
CC1(C)CN(CCNC(=O)[C@@]2(C)C[C@H]2Br)CCO1	906493641	MRIAPOGSYPVODH-MFKMUULPSA-N	319.243	1.387	50	20	DDGD	
Cn1cc(CC(=O)NNc2ccc(Br)nc2)cn1	732836993	RVYGXMJJHZBTKI-UHFFFAOYSA-N	310.155	1.263	50	20	DDGD	
CCCN1CCC[C@@H]1C(=O)NNc1cccc(C(=O)OC)c1F	837056771	BSUWJGBSSIVMLJ-CYBMUJFWSA-N	323.368	1.930	50	20	DDGD	
CC(Cc1cnccn1)=NNC(=O)[C@@H](C)CN1CCC(C)CC1	834933382	OYLBVWWWKDRTCF-AWEZNQCLSA-N	317.437	1.879	50	20	DDGD	
C[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)[C@H]2CCCC[C@@H]21	584929595	SKSRRXYACCDCTH-KFNAQCHYSA-N	319.185	1.546	50	20	DDGD	
C[C@@H](O)[C@](C)(CNS(=O)(=O)CCl)Cc1ccccc1	831255148	HQIOYBAJOWHQLU-YPMHNXCESA-N	305.827	1.732	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)[C@H]1CCC[C@H](C(=O)O)C1	833111121	CYQCMPHFURXNLU-RYUDHWBXSA-N	319.361	1.137	50	20	DDGD	
CCC(CC)n1nccc1C(=O)NNC(=O)[C@@H]1CCCCO1	833245742	ABXYNYHRGGQUDL-ZDUSSCGKSA-N	308.382	1.574	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc(OC(F)F)cn1	833242684	MJGLWWYPEZHASB-JTQLQIEISA-N	315.276	1.013	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C/C=C/c1ccc(F)cc1	747755841	WZCDGEPBCAQFAO-IIDUYIMSSA-N	319.380	1.909	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)[C@@H]1CCc2ccccc2C1	914383779	CQOPFVAABAARPW-CYBMUJFWSA-N	311.407	1.040	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCOc2c(F)cccc21	748258847	DEABDNCGIXLCIY-JTQLQIEISA-N	310.325	1.480	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CCc2c(F)cccc21	740763793	PINAGSIFOAXOND-UHFFFAOYSA-N	305.353	1.897	50	20	DDGD	
Cc1c[nH]cc1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	916727826	NUBWEQJHDOIQMA-SNVBAGLBSA-N	305.309	1.691	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)C[C@H](C)OC	749559665	CLXNQGYVORTAKK-NSHDSACASA-N	318.377	1.171	50	20	DDGD	
COC(=O)c1ccc(CCNC(=O)NNC(=O)C(C)C)cc1	916248386	BVIKPTPHYVAJHD-UHFFFAOYSA-N	307.350	1.002	50	20	DDGD	
CC1(CNC(=O)NNc2ncnc3ccsc23)CCNCC1	841969515	DJPDZMSHGNXBKA-UHFFFAOYSA-N	320.422	1.707	50	20	DDGD	
O=C(NNC(=O)c1ncccn1)c1ccc(OC2CCC2)cc1	841350982	XNIGRAYTNGZTDF-UHFFFAOYSA-N	312.329	1.483	50	20	DDGD	
CC(C)N1CC[C@@H](NC(=O)NNc2cc(F)ccc2F)C1=O	918830919	NKJJQKYHEKRDDW-LLVKDONJSA-N	312.320	1.600	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1cc(C#N)cs1	748075195	BODDMQCPEPKSIL-LLVKDONJSA-N	306.391	1.038	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NNC(=O)CC)c2ccccc12	919954462	MNXZPDULSGPMFM-UHFFFAOYSA-N	322.386	1.958	50	20	DDGD	
CC(C)Oc1ccc(C#N)cc1NC(=O)NNC(=O)CCCN	841075481	QWCNQXNPRHRDFY-UHFFFAOYSA-N	319.365	1.237	50	20	DDGD	
CCCCCC[C@H](C)CC(=O)NNC(=O)CN1CCCC1=O	913730915	NCZHDIIVGXRZLJ-ZDUSSCGKSA-N	311.426	1.753	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CCC(C)(F)F	919820731	YSYHOCVJLXAWBI-UHFFFAOYSA-N	300.305	1.821	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12	916362010	GXFNVYRFPFSQRW-SUJAAXHWSA-N	319.449	1.883	50	20	DDGD	
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)o1	843640691	DLAOJEVQOPNQBH-OXHZDVMGSA-N	320.389	1.908	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=S)NCCc1ccccc1	916163249	ZROPQLBKVAOQRN-UHFFFAOYSA-N	305.325	1.677	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)C(=O)NC(C)C)CCC2	741847599	NNSSSWWUFKJXHW-UHFFFAOYSA-N	303.362	1.376	50	20	DDGD	
C[C@@H](Cc1cccs1)NC(=O)NNC(=O)CC(F)(F)F	918067276	GEPSSBZEUIIJSS-ZETCQYMHSA-N	309.313	1.962	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)CC(F)(F)F)N1CCCCC1	918124428	OUZPKDDMUAKXOR-VIFPVBQESA-N	310.320	1.144	50	20	DDGD	
C[C@@H]1C[C@H]1c1ccc(CCC(=O)NNC(=O)c2ncccn2)o1	841354311	MAHTXLHXEKBPJR-ZYHUDNBSSA-N	314.345	1.587	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)c2ncccn2)CCC1	841350899	UWPAHLABTFULCF-UHFFFAOYSA-N	310.357	1.668	50	20	DDGD	
COCC[C@H](C)CNC(=O)NNC(=O)Cc1ccccc1F	840398210	DPLMTUZDAISTGO-NSHDSACASA-N	311.357	1.371	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCc1ccc(C#N)cc1	843643592	MUVYQTSXNFANKC-SMDDNHRTSA-N	301.346	1.063	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cncn2-c2ccccc2)n1	746628070	SWWGZBRSFDUYHN-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@H]1CCCS(=O)(=O)C1	846155532	QNKXEBKFHJECQK-NSHDSACASA-N	324.406	1.012	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)C1(N)CCCCC1	843436610	CVZNZEGVJIUUFZ-UHFFFAOYSA-N	311.407	1.195	50	20	DDGD	
COC(=O)C[C@@H](C)SCC(=O)NNC(=O)c1cccc(C)c1	742454104	LHNOPPPHOLSAHH-LLVKDONJSA-N	324.402	1.441	50	20	DDGD	
Cc1ccc2oc(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)cc2n1	843647010	LMLRJFWNXQZBNH-NXEZZACHSA-N	303.318	1.322	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)CCc2ccc(OC)cc2)[C@H]1OC	841621274	ZEXBDQJBZAQUSN-NVXWUHKLSA-N	320.389	1.924	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CCCc2cc(O)ccc21	740763410	HVAUECUJSZJRIG-UHFFFAOYSA-N	317.389	1.854	50	20	DDGD	
CCN1CCC(=NNC(=O)CNc2ccccc2OC)[C@H](C)C1	741453007	KFDBVFKEETUOFN-CYBMUJFWSA-N	318.421	1.941	50	20	DDGD	
CCC(CC)(CO)C(=O)NNc1nc(-c2cccnc2)no1	847479559	ZZDPKCMRGFRMAS-UHFFFAOYSA-N	305.338	1.373	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1cccc(O)c1O	920375399	YAVHBXCZKJPITK-UHFFFAOYSA-N	300.314	1.799	50	20	DDGD	
NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1cc(Cl)ccc1Cl	847600071	BAVMOVDARLOQPU-YUMQZZPRSA-N	302.161	1.948	50	20	DDGD	
CC1CC(C#N)(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)C1	758157948	LSRQCFYWLZSCHX-NOEPWBJOSA-N	319.336	1.680	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1sccc1C#N	854281268	SBTMDJGJJRWWCB-UHFFFAOYSA-N	312.420	1.107	50	20	DDGD	
O=C(NNC(=O)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1)c1cccc(F)n1	852709638	CIXPNFHWBHUHBP-NNYUYHANSA-N	318.352	1.553	50	20	DDGD	
CC(=NNC(=O)[C@H](C)Oc1ccccc1F)c1cnn(C)c1	920827876	QFVKXMGHJYRRFP-NSHDSACASA-N	304.325	1.867	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(Cl)c(Cl)nc1C	854921193	MQFXFUMQFLDIPW-UHFFFAOYSA-N	307.206	1.778	50	20	DDGD	
C[C@@H](Cc1cccc(F)c1)C(=O)NNC(=O)c1ccccn1	921019373	JMPLPRXRLDCSAQ-NSHDSACASA-N	301.321	1.861	50	20	DDGD	
C[C@]1(CNS(=O)(=O)c2ccc(N)cc2)C[C@@H]1Br	856754697	MASQIQZNMCTADF-WDEREUQCSA-N	319.224	1.721	50	20	DDGD	
COc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)c2ccccn2)c1	920287640	MERXWEHTGQGMSR-UHFFFAOYSA-N	316.273	1.073	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)C2CC3(CC3)C2)cc1	854573513	HBYPMVJJRIYYIU-UHFFFAOYSA-N	323.418	1.570	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1cccc(OCC#N)c1	755933168	OXROKYGZMQOWKR-UHFFFAOYSA-N	314.305	1.087	50	20	DDGD	
C[C@@H]1CN(C(=O)NC[C@]2(C)C[C@@H]2Br)CC[C@@H]1O	856959900	ZJVOQTIQLMEZGR-WDCWCFNPSA-N	305.216	1.572	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H]1CCCc2nn(C)cc21)C1CC1	855096546	CFCCNDDGNQUBOG-ONGXEEELSA-N	321.450	1.134	50	20	DDGD	
O=C(C[C@H]1CCCCO1)NNC(=O)c1ccc2c(c1)OCO2	755037648	CATFZLMVFZSHNS-LLVKDONJSA-N	306.318	1.136	50	20	DDGD	
CCN(C)C(=O)[C@@H](C)NC(=O)NNc1cc(F)ccc1F	922156841	SHAIHOGVDIPORK-MRVPVSSYSA-N	300.309	1.458	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cccnc2)c(OC)c1	755403564	FDHAMWDUFQXBCM-UHFFFAOYSA-N	316.317	1.565	50	20	DDGD	
Cc1ncc(C=NNC(=O)CCCNC(=O)C(C)(C)C)n1C	853406769	RKBQDJZUZVNINC-UHFFFAOYSA-N	307.398	1.121	50	20	DDGD	
C[C@H](C(=O)OC[C@H](CBr)C1CC1)S(C)(=O)=O	859510792	ZNERRPDBQVMTFZ-APPZFPTMSA-N	313.213	1.384	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1c(C)nc2ccccn12)C1CC1	851915704	NUGIHONYDLBJSE-GFCCVEGCSA-N	315.377	1.775	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1ccc2occc2c1	852394018	LELFEVMUCRBIMW-GXFFZTMASA-N	317.345	1.688	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=Cc1cn(C)nc1C	755511371	RGMSUEAVCVWREC-UHFFFAOYSA-N	316.361	1.656	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)C(C)(C)c1cccnc1)C1CC1	855099330	WQRGSGRPUCRCGA-JTQLQIEISA-N	306.435	1.653	50	20	DDGD	
O=C(COC(=O)[C@H]1C[C@H]2CC[C@H]1C2)NNC(=O)c1cccs1	753873063	IJFWYRVMIQTXKH-DCAQKATOSA-N	322.386	1.489	50	20	DDGD	
CC1(Cn2cc(C(=O)NNc3ccc(Cl)cn3)nn2)COC1	856091171	GTCCVKZJAGMSPR-UHFFFAOYSA-N	322.756	1.120	50	20	DDGD	
CCC1(C(=O)NNC(=O)c2cccc(OC(F)F)c2)COC1	755287362	DSYOYQAQIZXIQB-UHFFFAOYSA-N	314.288	1.476	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)c1cnn2cccnc12	758295929	OHJGZJLPPIXDRC-UHFFFAOYSA-N	321.300	1.135	50	20	DDGD	
CCN1CCN(CCC(=O)NNc2ccc(Cl)cn2)CC1	856093093	AOUIDVIELNMSIP-UHFFFAOYSA-N	311.817	1.206	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2cncn2C)n1	755488892	CADQOMBQJRPZRD-UHFFFAOYSA-N	304.379	1.069	50	20	DDGD	
CC[C@@](C)(O)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	929340873	HJHIZCLRWMXVKT-RFAUZJTJSA-N	310.419	1.795	50	20	DDGD	
CNC[C@H](C)NS(=O)(=O)c1ccc(CCCCl)cc1	850593740	ZNRUEVNMGAXWCI-NSHDSACASA-N	304.843	1.744	50	20	DDGD	
Nc1ccc(C(=O)NNC(=O)C2CC2)cc1OC(F)(F)F	854179701	BOEJIQDRENXHGF-UHFFFAOYSA-N	303.240	1.338	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H]2C[C@@H](C)Cc3c[nH]nc32)c1	857871809	WVBVAZCTIIBNNZ-KWQFWETISA-N	318.402	1.907	50	20	DDGD	
CCCc1ccc(C(=O)NNC(=O)N2CCN(C)CC2)s1	868120509	CHXCLAPPDLFDTC-UHFFFAOYSA-N	310.423	1.302	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCSC2)cc1C	762132443	UWYGYHUQFQJRMB-NSHDSACASA-N	321.402	1.142	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1CN(C)C[C@H]1c1ccccc1	860667541	FWBOZKXLLPZULC-UONOGXRCSA-N	304.394	1.024	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)c3cnn(C)c3)cc2s1	761924546	DAYFRYGUUTYUDH-UHFFFAOYSA-N	315.358	1.413	50	20	DDGD	
CC(C)(C)NCCC(=O)NNC(=O)Cn1ccc2ccccc21	932062255	YQWUOJFFKWMMHW-UHFFFAOYSA-N	316.405	1.567	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)CC(F)(F)F)CCO[C@H]1C1CC1	768536026	RUDUJRNYJLXEJK-JQWIXIFHSA-N	323.315	1.474	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)/C=C\c1ccccc1C(F)(F)F	867672770	TUZHILPFULSQMP-FPLPWBNLSA-N	316.279	1.637	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@H]2CCCCN2C)n1	762902321	OMFPKGYEWNIJRG-GFCCVEGCSA-N	306.414	1.250	50	20	DDGD	
C[C@H](NNC(=O)CCc1ccc(C(N)=O)cc1)C(F)(F)F	862320578	LMHITRQDHIKKEG-QMMMGPOBSA-N	303.284	1.290	50	20	DDGD	
Cn1nc2c(c1C(=O)NNC(=O)NC1CCCC1)CCCC2	765314014	KOEYTNXTBQHBES-UHFFFAOYSA-N	305.382	1.186	50	20	DDGD	
COc1cc(C=NN(C)C(N)=O)cc(Br)c1O	767906649	CKHHMEGXKCEATK-UHFFFAOYSA-N	302.128	1.508	50	20	DDGD	
COCC(=O)NN=Cc1c(C)nn(-c2ccc(F)cc2F)c1C	761819800	RBBHPTGYEZPGGS-UHFFFAOYSA-N	322.315	1.864	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2cccnc2N)cc1C	764666561	MORKZWKKQLAOEC-UHFFFAOYSA-N	311.345	1.369	50	20	DDGD	
COCCOCC(=O)NNC(=S)Nc1ccc(C)c(F)c1	865244074	BCMFYNBAHDEECI-UHFFFAOYSA-N	315.370	1.115	50	20	DDGD	
COC[C@@H](NC(=O)CCCC[C@H]1CCSS1)C(N)=O	760085351	WZTPRPGXUNGRPT-VHSXEESVSA-N	306.453	1.317	50	20	DDGD	
Cn1cc2c(n1)CCC[C@H]2NS(=O)(=O)CC(C)(C)CCl	867236395	ODPACPMFUNQRDF-GFCCVEGCSA-N	319.858	1.982	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1ccnn1C1CCCC1	768140008	ZZEHCKITFNGIMW-UHFFFAOYSA-N	312.337	1.421	50	20	DDGD	
OB(O)c1ccccc1CNc1cccc(OC(F)(F)F)c1	864019819	SOGNQSYJEGRSBW-UHFFFAOYSA-N	311.068	1.877	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1CC(=NNC(=O)c2cn[nH]c2)C1(C)C	863153786	CQWPXOLZLOZDNG-JTQLQIEISA-N	321.381	1.819	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)c2cc3ccccc3o2)nn1	766488283	RLQFIHZWOAHNCI-UHFFFAOYSA-N	313.317	1.509	50	20	DDGD	
CCSc1cccc(C=NNC(=O)CN2CCCC2=O)c1	769781595	MANLKKYAKKGDBT-UHFFFAOYSA-N	305.403	1.871	50	20	DDGD	
O=C(C[C@H]1COC(=O)C1)NNC(=O)c1cccc2ccccc12	765476589	YAWXXLBERIKLIB-LLVKDONJSA-N	312.325	1.554	50	20	DDGD	
CCNC(=O)Nc1ccc(C)c(NC(=O)NN(C)CCOC)c1	879403992	YCPHIRCWGLHMJH-UHFFFAOYSA-N	323.397	1.751	50	20	DDGD	
Cn1c(=O)cc(C(=O)NNc2ncccc2F)c2ccccc21	1117452137	YCPKRXHTZGNTNK-UHFFFAOYSA-N	312.304	1.830	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc2cc(C)ccc2[nH]1	771920049	CZUJZWYQLNMJGJ-SNVBAGLBSA-N	317.345	1.579	50	20	DDGD	
Cc1[nH]nc2ncc(C(=O)NNc3cc(Cl)nc(N)n3)cc12	773864778	AQYLGXPZFYOGQC-UHFFFAOYSA-N	318.728	1.049	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccc(N)cc2)ccc1[N+](=O)[O-]	770599375	PAXZKSKCYJSWCO-UHFFFAOYSA-N	314.301	1.950	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1cn(C)nc1-c1ccccc1	875478624	LECDPAHZWATWIO-UHFFFAOYSA-N	317.349	1.500	50	20	DDGD	
CC1(C)[C@@H](C(=O)NNC(=O)c2cccc(Cl)c2)[C@H]1C(=O)O	872832118	UOMHDDJNFRDPNS-ZJUUUORDSA-N	310.737	1.458	50	20	DDGD	
CN(C)CC(=O)NN=CC(C)(C)[C@@H](C[N+](=O)[O-])c1ccccc1	771099843	GCEGNKCTFOBGGN-AWEZNQCLSA-N	320.393	1.737	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccn(Cc2ccccc2)n1	771861280	WACXWXCGGGEXOH-UHFFFAOYSA-N	300.362	1.739	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)c1csnn1	771549684	UQDOGTISEREEPU-UHFFFAOYSA-N	300.141	1.453	50	20	DDGD	
CCC(=O)NN=Cc1cccc(Cl)c1S(=O)(=O)CC	774317989	BCKIVDPEPBBDEJ-UHFFFAOYSA-N	302.783	1.994	50	20	DDGD	
C[C@H](S[C@H](C)C(=O)NC[C@@]1(C)C[C@@H]1Br)C(=O)O	872882032	DSSNWUOXZPAQDI-OFHVYEONSA-N	324.240	1.871	50	20	DDGD	
COc1ncncc1NC(=O)NNc1ccccc1[N+](=O)[O-]	775671450	UZSWQTYCAGSUDB-UHFFFAOYSA-N	304.266	1.542	50	20	DDGD	
COC(=O)c1cnc(C(=O)NNc2c(F)cccc2F)cn1	779675653	XFFKWBQZVDUEBV-UHFFFAOYSA-N	308.244	1.298	50	20	DDGD	
O=C(NNc1ccc(F)cn1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O	874651544	PTWADZQLHOGEIL-HTQZYQBOSA-N	320.246	1.121	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1ccn(C(F)F)n1	1117278623	XKZLARZSAVDMQE-UHFFFAOYSA-N	320.263	1.011	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](c1ccc(OC)nc1)C1CC1	875933442	ONFXNLZAWBIRLN-LBPRGKRZSA-N	308.338	1.454	50	20	DDGD	
C[C@@H](Cc1ccccc1)n1cccc1C(=O)NN(C)C(N)=O	778419075	ZNLQAQNWOJQPFT-LBPRGKRZSA-N	300.362	1.947	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1cccc(O)c1O	777904136	JHQKEBQAYIDERJ-UHFFFAOYSA-N	309.322	1.073	50	20	DDGD	
O=C(NN=Cc1ccc(C(F)F)nc1)[C@@H]1CN2CCC[C@@H]2CO1	872389038	WLPCLSZKJURRRR-YPMHNXCESA-N	324.331	1.333	50	20	DDGD	
C[C@H](NCC(=O)NNC(=O)c1cccs1)c1ccccn1	776249067	SBPBKXZUAWSBED-JTQLQIEISA-N	304.375	1.255	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCCO[C@H]1CCOC1	885724968	OKIJXMZIVMERHS-GLNPCMGASA-N	302.330	1.221	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(Cl)cc1F)[C@H](C)S(C)(=O)=O	885106667	FDDHOFGPKDMHBY-SFYZADRCSA-N	322.789	1.991	50	20	DDGD	
C#CCCCC(=O)NNC(=O)/C=C/c1ccc(OC)c(O)c1	887147059	WGVKHWLBXUDOJL-CSKARUKUSA-N	302.330	1.365	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)ccc1F	880228673	LTLWMHJBRHWMCV-NURSFMCSSA-N	322.336	1.871	50	20	DDGD	
COC(=O)CC1(CNC(=O)NN(C)C(=O)OC)CCCC1	1123662570	MFYCBAUNFFSGRM-UHFFFAOYSA-N	301.343	1.022	50	20	DDGD	
C[C@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1S(=O)(=O)CCCCCl	882869836	RATIMOTZLVMICN-MXWKQRLJSA-N	310.847	1.275	50	20	DDGD	
COC(=O)COc1ccccc1C(C)=NNC(=O)NCC1CC1	783832067	FNNKZRNMLYNFBL-UHFFFAOYSA-N	319.361	1.672	50	20	DDGD	
NC(=O)CCCC(=O)NNc1ccc(Br)cc1F	787455299	MAVLRQQSCGQEIY-UHFFFAOYSA-N	318.146	1.687	50	20	DDGD	
COc1ccc(SC)c(OC)c1C(=O)NN=c1cc[nH]cc1	781021673	ZUYLMNFNWUHUHK-UHFFFAOYSA-N	319.386	2.000	50	20	DDGD	
CC(C)(C#N)CNC(=O)NNC(=O)COCc1ccccc1	781955368	NPPQMBKZYXMODX-UHFFFAOYSA-N	304.350	1.083	50	20	DDGD	
C#CCOCCNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	784551978	MKWKNDHNZDUAQN-UHFFFAOYSA-N	319.405	1.183	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1ccc(OC(F)F)cn1	781820301	UWRDUDVVYYUPDE-UHFFFAOYSA-N	315.667	1.883	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@@H]2COC(C)(C)O2)cc1	783274230	OVGPXAWMCAGESA-CYBMUJFWSA-N	321.377	1.345	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=S)NC(C)(C)C	899995025	DYTPRJDNHPQGCR-OUAUKWLOSA-N	300.472	1.542	50	20	DDGD	
O=C(NNc1nc2ccccc2s1)C(=O)Nc1ccon1	782811944	DONLMHNOZTVDRE-UHFFFAOYSA-N	303.303	1.366	50	20	DDGD	
CCS[C@H]1CCCC[C@@H]1NCC(=O)NNC(=O)C(C)(C)C	787304735	GTFDQSZDGLZWAT-RYUDHWBXSA-N	315.483	1.834	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)CCc2ccccc2)cnn1C	794259404	ZWUCHFZHBFYSET-UHFFFAOYSA-N	300.362	1.051	50	20	DDGD	
COC(=O)c1ccc(/C=C(/C#N)C(=O)C2CCOCC2)nc1	899372031	MODMYFUBCSYJKA-JYRVWZFOSA-N	300.314	1.771	50	20	DDGD	
O=C(NNC(=S)Nc1ccc(F)cc1F)c1ccnnc1	792796998	SMNFFGYHFNMSRD-UHFFFAOYSA-N	309.301	1.386	50	20	DDGD	
COc1cncc(C(=O)NNC(=O)c2ccc(Cl)cc2F)n1	790716662	XGRUEAHSTKVTKI-UHFFFAOYSA-N	324.699	1.353	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H](OC)[C@H](C)CC)nc1C	793784088	VDLBPZMHTMQLNW-SKDRFNHKSA-N	324.381	1.466	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2ncncc2Cl)n2cccc21	790044446	QZANJCCCKOGHDG-JTQLQIEISA-N	305.725	1.592	50	20	DDGD	
CC(C)C(=O)NNC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	792233816	QURMQXSJSABGRI-HNNXBMFYSA-N	318.421	1.495	50	20	DDGD	
CO[C@](C)(C(=O)NNc1nc2ccccn2n1)c1ccccc1	791243828	RQUIOBBVEPXRJF-INIZCTEOSA-N	311.345	1.734	50	20	DDGD	
C[C@@H]1CCSCCN1C(=O)NNC(=O)c1cccc(C#N)c1	791020867	WOHMNRDGQSDCCG-LLVKDONJSA-N	318.402	1.740	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1cccc[n+]1[O-]	798142189	NTRLQLZSGAUGPP-UHFFFAOYSA-N	307.741	1.644	50	20	DDGD	
C=C[C@@H](NNC(=O)c1cccc(OC(F)F)c1)C(=O)OC	799978162	XZAPUHKPUCNPIY-SNVBAGLBSA-N	300.261	1.250	50	20	DDGD	
C=C(C)CN(C)C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1328547497	LLCWJJPVVTUGDH-JOYOIKCWSA-N	303.200	1.311	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc(C(C)C)no2)cc1	1328272024	HFMUKCAMRRUSCF-UHFFFAOYSA-N	303.318	1.881	50	20	DDGD	
O=C(CCl)Nc1ccc(S(=O)(=O)NCC2CC2)cc1	1323268570	CSJVINKMKJBZPH-UHFFFAOYSA-N	302.783	1.552	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H](C)[C@H]2CCCOC2)cc1	1320789275	MZKAFCYJAQQJQZ-AAEUAGOBSA-N	321.377	1.454	50	20	DDGD	
Cn1c(NNC(=O)c2cnn3ccncc23)nc2ccccc21	1327869629	YUEQOTWVSOTADC-UHFFFAOYSA-N	307.317	1.373	50	20	DDGD	
C[C@]1(c2ccccc2)C[C@H]1NC(=O)NNC(=O)C1CCNCC1	1326123436	OHPGPRMTVMCBBC-RHSMWYFYSA-N	316.405	1.047	50	20	DDGD	
CCC[C@H]1CN(C(=O)NNC(=O)c2cc(C)cs2)CCO1	1329760185	VGETWUGCLAOPDZ-NSHDSACASA-N	311.407	1.912	50	20	DDGD	
CN(C)[C@H](C(=O)NNC(=O)NC1CC1)c1cccc(Cl)c1	1339432938	ZMVABLFPXPHWHO-LBPRGKRZSA-N	310.785	1.436	50	20	DDGD	
Cn1ccnc(NNC(=O)C(C)(C)Oc2ccccc2)c1=O	1330777093	KODOWPAMMDVSPB-UHFFFAOYSA-N	302.334	1.081	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc2c(c1)cc(C)c(=O)n2C	1330697762	YWDRNKGTYMRAHM-UHFFFAOYSA-N	318.377	1.462	50	20	DDGD	
CCCN1CCCC[C@H]1C(=O)NNc1nc2ccccn2n1	1338931695	QBYOQXUGVCDESN-LBPRGKRZSA-N	302.382	1.437	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNc2nncc(N)c2Cl)cc1	1334883711	FZUMXXXWBHDWJW-DAXSKMNVSA-N	319.752	1.877	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cnc(C3CC3)[nH]2)cc1	1252876732	OPXZZKNAEXTHTB-UHFFFAOYSA-N	313.361	1.469	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1C[C@@H](C)N(c2ccccc2)C1=O	1330270322	AGRRSPFENVBPSR-PWSUYJOCSA-N	320.349	1.093	50	20	DDGD	
O=C(CCl)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1	1333572097	SFOPDVSZBNFSJQ-GFCCVEGCSA-N	316.810	1.658	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Nc2cc(C)ns2)cc1	1262078926	AYKUBOBBSLXLET-UHFFFAOYSA-N	306.347	1.927	50	20	DDGD	
Cc1nc([C@@H](C)NC(=O)NNc2ccc([N+](=O)[O-])cc2F)no1	1261660812	WZOVXIUSLXSTPN-ZCFIWIBFSA-N	324.272	1.813	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cnc(C3CC3)[nH]2)c(F)c1	1345039168	ZYBNJOCXBNTPHG-UHFFFAOYSA-N	318.308	1.970	50	20	DDGD	
C[C@@](C#N)(CC(=O)O)C(=O)OC[C@@H](CBr)C1CC1	1602781524	BABZRFYJWNMFGU-SKDRFNHKSA-N	318.167	1.955	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1[nH]c(C)c(C(=O)O)c1C	1600565689	ICXYDYKUVLVDPU-UHFFFAOYSA-N	315.329	1.713	50	20	DDGD	
O=C(O)c1cccc(C(=O)NNc2nc3cccnc3s2)n1	1602433287	NZRIKCAKWQLGSU-UHFFFAOYSA-N	315.314	1.541	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccn3nccc3n2)c(F)c1	1602382899	IPMAFISNLIWKLD-UHFFFAOYSA-N	315.264	1.324	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2C[C@@H]2C(C)C)o1	1603407211	QOLZVRKNDWWNMN-RKDXNWHRSA-N	319.369	1.713	50	20	DDGD	
Cc1ccc(NNC(=O)c2ccc([N+](=O)[O-])cn2)cc1C(=O)O	1600461211	DITBRMQHAMNSFZ-UHFFFAOYSA-N	316.273	1.753	50	20	DDGD	
C=C[C@@](C)(CC)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	1609051952	CRHCUFZKIIYBFR-HNNXBMFYSA-N	314.349	1.230	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)c1cccc(CC(=O)O)c1	1610564388	JROHGSILOAQGOV-UHFFFAOYSA-N	319.342	1.153	50	20	DDGD	
COc1cc(C)ccc1C=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549313931	JFYTUPNUMFHJBX-GDBMZVCRSA-N	317.389	1.317	50	20	DDGD	
O=C(O)c1cc(C(=O)NNC(=O)c2cc3ccccc3o2)on1	1610810100	NUBDQRFJIOMRMS-UHFFFAOYSA-N	315.241	1.194	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N[C@@H](CC(F)F)C(=O)O	1610618419	GQAMEBBNZJRNRW-GWZUUTHWSA-N	312.247	1.957	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@H]1C=NNC(=O)c1cccnc1	1552448804	WCWXJSUDFXXICS-WFASDCNBSA-N	313.361	1.699	50	20	DDGD	
O=C(O)C1(C(=O)NNc2cc(O)nc3ncccc23)CCC1	1574633193	CATUWLRAFNDBFE-UHFFFAOYSA-N	302.290	1.033	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H](N)C2CCCCC2)ccc1F	1578860364	OKUOREPLYOHKCA-CQSZACIVSA-N	323.368	1.963	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)C[C@H]2CC[C@@H](N)C2)c1	1579351164	BVEUNFVICSFDPF-WDEREUQCSA-N	311.407	1.051	50	20	DDGD	
CC[C@H](NC)C(=O)NNc1cc(OC)ccc1Br	1577171911	AOXWGSJBYDLFTF-JTQLQIEISA-N	316.199	1.899	50	20	DDGD	
Cc1cc(C)n([C@H](C)CC(=O)NNc2ncccc2C(=O)O)n1	1594298144	DFHBQKQJZYWCFU-LLVKDONJSA-N	317.349	1.688	50	20	DDGD	
O=C(NNC(=O)c1ccc(C(=O)O)nc1)NC1CCCCC1	1594783033	SBMIGNRRDWZSMD-UHFFFAOYSA-N	306.322	1.057	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)C[C@@H](C)CC(=O)O)n1	1596293146	ZEZRPZWZVQJYQW-SNVBAGLBSA-N	309.370	1.267	50	20	DDGD	
O=C(CCc1ccco1)NNC(=O)Nc1cc(C(=O)O)ccn1	1594690409	QSHIBEIYSZZBAO-UHFFFAOYSA-N	318.289	1.158	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1cc(COC)cc(C(=O)O)c1	1596509665	ULSLVXXMXPLDTC-XYOKQWHBSA-N	304.302	1.914	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)O	1596861138	CUDNGPFZRKQWJK-STRFDMGBSA-N	306.293	1.382	50	20	DDGD	
CC[C@H](C)[C@@H](C)NC(=O)NNc1cccc(-c2nn[nH]n2)c1	1590398517	CEPAPQJHTIWEPU-VHSXEESVSA-N	303.370	1.927	50	20	DDGD	
COc1ccc(C(=O)NNc2cccc(F)c2C(=O)O)cn1	1599483548	BUBAJXNFQGRLPJ-UHFFFAOYSA-N	305.265	1.684	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)[C@H]1C	1590333463	FBRYHKNBQGCQKA-QISWUMQESA-N	316.365	1.369	50	20	DDGD	
CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Cl)C1	1778022266	CMLRCEIGTXJLGC-SCDSUCTJSA-N	320.792	1.445	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2cccc3nccn23)cc1	1776100137	SJCKNYQDKIIRIQ-UHFFFAOYSA-N	308.297	1.796	50	20	DDGD	
CC(C)NC(=O)/C(C#N)=C\c1ccc(C(=O)O)cc1[N+](=O)[O-]	1776129406	HVTYMEKSSXDHJA-WZUFQYTHSA-N	303.274	1.725	50	20	DDGD	
CC(C)OC(=O)CCCNC(=O)NNc1cccc(C#N)c1	160169169	XCWWAJCMUXZZQR-UHFFFAOYSA-N	304.350	1.916	50	20	DDGD	
O=C(Cc1ccc(F)c(F)c1)NNc1ncccc1[N+](=O)[O-]	153396095	RMLQLPHSZDVTCL-UHFFFAOYSA-N	308.244	1.954	50	20	DDGD	
COc1ccc(NNC(=O)CNC(=O)c2cccc(F)c2)nc1	159427686	UPLXIKRBKWKAFT-UHFFFAOYSA-N	318.308	1.102	50	20	DDGD	
O=C(NNc1ccccn1)Nc1ccnn1C[C@H]1CCOC1	159084869	OOWFNSWHMOKGCO-LLVKDONJSA-N	302.338	1.463	50	20	DDGD	
COc1ccc(NNC(=O)CNc2ccccc2[N+](=O)[O-])nc1	159357012	RPZVTOIBNIIFPH-UHFFFAOYSA-N	317.305	1.554	50	20	DDGD	
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(S(=O)(=O)CCl)C2	867606091	XWAGWZANTCJHLJ-UWVGGRQHSA-N	324.830	1.596	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)Nc2ccccc2)cc1	504497	PNNWSTAWKZSUGK-UHFFFAOYSA-N	315.329	1.927	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)c1ccccc1	8350205	NEQHXMCWZVERFT-UHFFFAOYSA-N	315.285	1.678	50	20	DDGD	
CCCN1CC[C@@H](CNC(=O)NNc2nc(C)cc(C)n2)C1	54806070	FXCUZARIKYBSQU-ZDUSSCGKSA-N	306.414	1.451	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)OC(C)(C)C)CN1CCCCC1	57043967	VDELIJNJEWPXGJ-GFCCVEGCSA-N	314.430	1.847	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNc2nnc(C)c(O)n2)s1	23310802	ACAIUIYTSFZMQN-UHFFFAOYSA-N	321.362	1.362	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NC2CCCCC2)c(C(C)(C)C)n1	179858135	BVAPCKIGWHPZHR-UHFFFAOYSA-N	321.425	1.994	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCOC1)c1cnn(-c2ccccc2)c1	112825257	GOYVINGKMIZNPQ-GFCCVEGCSA-N	314.345	1.060	50	20	DDGD	
Cc1nc(CCCC(=O)NNC(=O)c2ccccc2O)cs1	176121848	HYVIFBGDFPOTOR-UHFFFAOYSA-N	319.386	1.941	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCCC2)NNC(=O)Cc1cc[nH]n1	106417838	MHDFKRRZCKCQMP-UHFFFAOYSA-N	312.373	1.221	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CCc1cccnc1	55354787	WMKQBRZIAVBUQV-UHFFFAOYSA-N	313.357	1.413	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)c2ccoc2)cc1	105510553	WPAVZSJZTVEWND-UHFFFAOYSA-N	304.375	1.977	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNC(=O)CC1CCCC1	175843203	UHTIJJDLZHDFHH-LLVKDONJSA-N	320.437	1.943	50	20	DDGD	
CCCn1cc(NC(=O)C(=O)NNc2ccc(C#N)cc2)cn1	119685348	IASVDSXESMRJOW-UHFFFAOYSA-N	312.333	1.247	50	20	DDGD	
CN(C)CC(=O)NNC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1	113424139	UOXSMWYQCQJKDB-CVEARBPZSA-N	311.385	1.652	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC[C@@H]1CCCOC1)c1ccccc1	171838669	PXNNOPYAPMOGSG-DZGCQCFKSA-N	319.405	1.937	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H](C)c2c(C)noc2C)nc1	179795387	NXANWSKKFICREU-QMMMGPOBSA-N	318.333	1.720	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)c1ccncc1	116161274	IGYCOHDGSBOSJB-QWRGUYRKSA-N	317.295	1.925	50	20	DDGD	
O=C(COc1ccc(F)cc1F)NNc1nccnc1Cl	172287745	YZKSVCFMLAFKJR-UHFFFAOYSA-N	314.679	1.930	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cccc3cn[nH]c23)nc1	179794600	KZWKNVGNXNLZOA-UHFFFAOYSA-N	311.301	1.501	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cnc2ccc(F)cc2c1	179331698	FEBLKLMQAKVRGQ-UHFFFAOYSA-N	324.315	1.773	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)NCc1ccco1	65177740	URTNJUJOXRZCOM-UHFFFAOYSA-N	303.318	1.579	50	20	DDGD	
CC1(C)CC(=O)C(=CNNC(=O)Cc2ccccc2F)C(=O)C1	66932547	GDVAQCWQIMIUSB-UHFFFAOYSA-N	318.348	1.831	50	20	DDGD	
CC(C)c1ncc(Cl)c(C(=O)NNC(=O)[C@@H]2CCCO2)n1	123732021	GQMZPZWPTXBXGJ-VIFPVBQESA-N	312.757	1.193	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CCOc2ccccc2)cc1	61474700	OUZRKOKOLOKOIB-UHFFFAOYSA-N	309.325	1.788	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N2CCOC3(CCC3)C2)c1	127341003	REUIHEAYFQSCOW-UHFFFAOYSA-N	314.345	1.168	50	20	DDGD	
O=C(NC[C@H]1CCN(C2CC2)C1)NNc1ccc(Cl)nn1	121139925	GTHFNZAFKVPXGQ-SECBINFHSA-N	310.789	1.240	50	20	DDGD	
O=C(CCCOc1cccc(F)c1)NNC(=O)c1ccc[nH]1	126536918	XYZZWWJHGFTQGJ-UHFFFAOYSA-N	305.309	1.774	50	20	DDGD	
CCCN(C)C[C@@H]1CCN(S(=O)(=O)CCCCCl)C1	184442951	BIQARYJHFVZICM-ZDUSSCGKSA-N	310.891	1.999	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NNc1ccc(C#N)c(Cl)c1	182384423	JYLFEAGXKAFINC-UHFFFAOYSA-N	315.782	1.480	50	20	DDGD	
C=CCOCCCC(=O)NNc1ccc(C(F)(F)F)nn1	123963067	PYJLOYHNWBPTIV-UHFFFAOYSA-N	304.272	1.921	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@H]1CCCO1	32258303	CCDXSRNNHXUZFG-BXKDBHETSA-N	312.753	1.434	50	20	DDGD	
CN(NC(=O)c1cccc(NC(=O)C2CCCCC2)c1)C(N)=O	181087265	JEMBMWHKUIDVOP-UHFFFAOYSA-N	318.377	1.861	50	20	DDGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)CO)c1C	125656824	MYMXMIPGXDTMTO-LJNUYVFYSA-N	319.405	1.716	50	20	DDGD	
O=S(=O)(CBr)N(CCO)Cc1ccccc1	127160304	QSYUATUXBUIWEC-UHFFFAOYSA-N	308.197	1.163	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC[C@@H]2CCCC[C@H]2C)n1	127730560	CIROSYSODDWQLM-RISCZKNCSA-N	321.425	1.657	50	20	DDGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)C1(O)CCC1	185432739	SFPZUXWQGWCWMD-UHFFFAOYSA-N	304.268	1.986	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cnc(Cc2ccccc2F)s1	184289878	KZZNUVNEVMKSET-UHFFFAOYSA-N	322.365	1.789	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1cnn(-c2ccccc2)c1	186014287	KPPIRNDBRYICQP-UHFFFAOYSA-N	324.344	1.677	50	20	DDGD	
O=C(CNC(=O)NCc1ccco1)NNc1ccncc1Cl	135886040	RBEUFEBFAIXCST-UHFFFAOYSA-N	323.740	1.271	50	20	DDGD	
CC(C)CCn1cc(C(=O)NNc2nc3ccccn3n2)nn1	191928975	POZLDFMPBNWJRJ-UHFFFAOYSA-N	314.353	1.124	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1ccnc(F)c1	132400895	AOGATIJCLNIQEP-UHFFFAOYSA-N	318.308	1.102	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)COC1CCCC1	44959767	LVYPCUHASTXSQH-LLVKDONJSA-N	324.352	1.700	50	20	DDGD	
CC(=O)NNC(=O)Cn1c(SC(F)F)nc2ccccc21	195524103	KTOBKZVMVCTMBA-UHFFFAOYSA-N	314.317	1.518	50	20	DDGD	
Cc1ccc(F)c(NC(=O)C(=O)NNc2ccnc(F)c2)c1	190307294	IXIUUXSIBPUPDN-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
O=C(CSCc1ccncc1)NNC(=O)c1cccnc1	48312723	NMWYOUNATXOFFE-UHFFFAOYSA-N	302.359	1.171	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cc(F)cc2nccnc12	191903504	ONMYOIVBRVOJJU-UHFFFAOYSA-N	323.291	1.569	50	20	DDGD	
C[C@H](N)[C@H](C)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	192052012	GGHDOECCHQISMR-YUMQZZPRSA-N	309.757	1.816	50	20	DDGD	
Cc1cnc(NC(=O)NNC(=O)c2ccc3c(c2)OCO3)s1	146512217	IPCDLLMEURAPPM-UHFFFAOYSA-N	320.330	1.647	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2ccccc2O)cc1	252483466	FCBCOYGKPYOXPV-UHFFFAOYSA-N	300.314	1.930	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCOCC2)cc1)c1cccnc1	254593177	LMZMQTJXYFTDSX-UHFFFAOYSA-N	310.357	1.682	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNC(=O)C(C)(C)c1ccccc1	264549396	KWLQRNLERHVCJX-OAHLLOKOSA-N	317.433	1.986	50	20	DDGD	
O=C(NNC(=O)c1cccc(C(F)(F)F)c1F)NC1CC1	267503877	VNOFIGIVBZLZFE-UHFFFAOYSA-N	305.231	1.951	50	20	DDGD	
CCC(CC)n1ccc(C(=O)NNC(=O)NCCCOC)n1	269308257	MYWNCBQNKYIFPF-UHFFFAOYSA-N	311.386	1.225	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CCOC1CCOCC1	267777534	IMCONFSYTFMVGN-UHFFFAOYSA-N	306.362	1.342	50	20	DDGD	
CSC[C@H](C)NC(=O)NNC(=O)COc1ccccc1F	265482580	QZQWCZWKUJNVTR-VIFPVBQESA-N	315.370	1.286	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)NC1CCCC1)c1ccccc1	264466480	SRHMPDOXCWDBIJ-MRXNPFEDSA-N	305.378	1.821	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1ccccc1F)[C@@H]1CCCCO1	271937214	AOKZYAUZNCUODR-FZMZJTMJSA-N	323.368	1.656	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](O)CCc2ccccc2)n1	271048603	SHHLCQQPXMJKEA-CYBMUJFWSA-N	316.361	1.230	50	20	DDGD	
O=C(CCC(=O)c1ccccn1)NNc1nnc(C2CC2)s1	274644474	DHASWBDQAVBFGP-UHFFFAOYSA-N	317.374	1.917	50	20	DDGD	
COc1cccc(NNC(=O)c2sccc2CN(C)C)n1	273023819	RRZBBIUKSVVCCU-UHFFFAOYSA-N	306.391	1.970	50	20	DDGD	
C[C@@]1(C(=O)NNc2nnc(-c3ccccn3)s2)CCCOC1	276540402	ZYIMCYGBOLXUMR-CQSZACIVSA-N	319.390	1.860	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1cccc2c1COC2=O	289025205	WELLGIMPFPLKEB-UHFFFAOYSA-N	305.334	1.946	50	20	DDGD	
CCOC1(C(=O)NNC(=O)c2cccc(OC)c2O)CCCC1	287352861	XPWVVJYTIPIWKK-UHFFFAOYSA-N	322.361	1.511	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCCC1(O)CCOCC1	286132430	MZFCWGHRQGGDDL-SDNWHVSQSA-N	316.357	1.347	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)c1	288370861	XMIIREKZCFGZFK-ZDUSSCGKSA-N	322.430	1.961	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C(F)(F)C2(O)CCCC2)n1	286121813	XWDWQFFTCHXOAT-UHFFFAOYSA-N	313.304	1.091	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H](C)CN2CCOCC2)cc1	294248486	GYHZOWFSFWPLCI-CYBMUJFWSA-N	307.394	1.497	50	20	DDGD	
CCN(CC)[C@H](CNC(=O)NNc1ccncn1)CC(C)C	296359640	IEQXGMWLXUGKND-ZDUSSCGKSA-N	308.430	1.859	50	20	DDGD	
Cc1noc(NC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)n1	296999328	YUXAJQHHTJCWBZ-UHFFFAOYSA-N	319.365	1.747	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1coc(C2CCOCC2)n1	801617581	ODDQDAOGFJLWAA-UHFFFAOYSA-N	309.366	1.766	50	20	DDGD	
O=C(CSC1CC1)NNC(=O)c1ccc2c(c1)OCCO2	294483232	QYMIWQQXVLESEX-UHFFFAOYSA-N	308.359	1.114	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)C2CC(C)(C)C2)cc1	803755588	GANYUNFEYULCEN-UHFFFAOYSA-N	318.373	1.735	50	20	DDGD	
Cc1nn(C(C)C)c(C)c1CC(=O)NNC(=O)c1ccccn1	292085827	XKAQVDMRJTVPSZ-UHFFFAOYSA-N	315.377	1.480	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c(OC)c1	292879727	YRMLHYYORBBCFI-CABZTGNLSA-N	308.334	1.032	50	20	DDGD	
COCCN(C)NC(=O)CCCNC(=O)NC1CCCCC1	808074763	KMXZVGYXICDHAU-UHFFFAOYSA-N	314.430	1.008	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2cccc(N(C)C)c2)n1	299517147	PHWNSESIUZSOCO-UHFFFAOYSA-N	314.393	1.986	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)N[C@H]2CC2(C)C)c1	299051740	IQKDDMNKKRYHGB-ZDUSSCGKSA-N	305.378	1.811	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H]1CCCN1Cc1ccccc1	294009036	BELUMNBAKHAOKA-OAHLLOKOSA-N	301.390	1.599	50	20	DDGD	
C=CCOc1ccc(CNC(=O)NNC(=O)[C@@H]2CCCO2)cc1	292104549	UWUQZSXPVWEIGD-AWEZNQCLSA-N	319.361	1.261	50	20	DDGD	
COCCC1(CNC(=O)NNc2ncncc2F)CCCC1	292933859	FLAWEDAEXGIUBS-UHFFFAOYSA-N	311.361	1.839	50	20	DDGD	
C[C@@H](Cc1ccccc1F)NC(=O)NNC(=O)[C@@H]1CCCCO1	296365206	OARXBEYKZWSNBA-FZMZJTMJSA-N	323.368	1.656	50	20	DDGD	
C[C@@H]1CCC[C@@H](C)N1CC(=O)NNC(=O)c1ccc(F)cc1	299256785	LCDWOTVWJTUCOS-VXGBXAGGSA-N	307.369	1.850	50	20	DDGD	
COC(=O)c1c(F)cc(NC(=O)NN=c2cc[nH]cc2)cc1F	801837440	IXWGTYUBXJHHQN-UHFFFAOYSA-N	322.271	1.717	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1cc2ccccn2c1	804956573	UBQLDFRCZRTDBX-UHFFFAOYSA-N	319.328	1.672	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(C#N)s1	807369709	HEAZNSLBKBBUBP-UHFFFAOYSA-N	311.363	1.170	50	20	DDGD	
CC1(C)CC(=NNC(=O)c2ccnnc2)c2sc(N)nc2C1	817341450	RBLFPGRMYVTXIR-UHFFFAOYSA-N	316.390	1.622	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H]2CCc3cnc(C)n3C2)n1	816836933	FFDAPWYTATUXDN-LBPRGKRZSA-N	300.366	1.304	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)Cc1cc[nH]n1)O[C@H](C)C2	814955108	URSMPNHBKRQVAG-SNVBAGLBSA-N	314.345	1.435	50	20	DDGD	
CCC(=NNC(=O)COc1ccccc1O)c1ccn(C)n1	814952500	CFYLGPSUCSIWQE-UHFFFAOYSA-N	302.334	1.435	50	20	DDGD	
CCn1c(NNC(=O)[C@]2(C)CC2(F)F)nc2ccccc2c1=O	817517573	AJFCZKKRNZQORM-AWEZNQCLSA-N	322.315	1.905	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1cccc(Br)n1	814955341	CCSPZWBXBYDRIZ-UHFFFAOYSA-N	308.139	1.260	50	20	DDGD	
N#Cc1ccc(CSCC(=O)NNC(=O)CC2CC2)cc1	819109334	CKUIGIABUSBOBI-UHFFFAOYSA-N	303.387	1.739	50	20	DDGD	
COc1ccc2c(c1OC)OCC2=NNC(=O)CC(F)(F)F	814811710	RCBCCGHQTJKCBC-UHFFFAOYSA-N	318.251	1.869	50	20	DDGD	
Cc1nc(C#N)c(N2CCC(C(=O)NN(C)C3CC3)CC2)o1	819651409	LBXOAOOCCREKMH-UHFFFAOYSA-N	303.366	1.197	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1cccc(N(C)C)c1)n1cccn1	819017765	MDUIWHXEGKMFIW-GFCCVEGCSA-N	315.377	1.361	50	20	DDGD	
CO[C@@H](CC(C)C)CS(=O)(=O)NNC(=O)NC1CCCC1	817355441	OOERSNIFVFJZLM-LBPRGKRZSA-N	321.443	1.124	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@@H](CC(C)C)C(=O)O	818623289	IBUDKGWOKZJGGC-GFCCVEGCSA-N	321.377	1.686	50	20	DDGD	
COc1ccc(NNC(=O)c2c[nH]nc2-c2ccccn2)nc1	811320773	TYRFZSVYJDCKIX-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
O=C(NN=C1CCn2cccc21)C1CCN(c2ncccn2)CC1	728783345	LJSYXOUGNXYPNQ-UHFFFAOYSA-N	324.388	1.419	50	20	DDGD	
CN(C)[C@H](C(=O)NNC(=O)c1cccc(C#N)c1)c1ccccc1	728870888	JCFGAULGNWJHLM-INIZCTEOSA-N	322.368	1.622	50	20	DDGD	
O=C(NNC(=O)c1cc[nH]n1)N[C@H](C1CCCC1)C(F)(F)F	822598393	KZZAIDDYUVDMHU-SECBINFHSA-N	319.287	1.475	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)CCCF)n[nH]2)cc1	822245614	WPRSKPMKZFZJGE-UHFFFAOYSA-N	304.325	1.896	50	20	DDGD	
Cc1ccc(C#N)cc1C(=O)NNC(=S)N[C@H](C)C1CC1	824446531	MILBQJNYBKHOQZ-SNVBAGLBSA-N	302.403	1.774	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1	494451622	IQBVTYDTZOBILJ-UHFFFAOYSA-N	321.377	1.210	50	20	DDGD	
CCOC(=O)NN=Cc1c(N2CCOCC2)nc2ccccn12	491679167	PZYFZJUWBBCLFI-UHFFFAOYSA-N	317.349	1.251	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C	823947158	SXGBPQDUPUUMLN-WDEREUQCSA-N	317.430	1.270	50	20	DDGD	
CC(C)C[C@@H]1CCCN(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)C1	827289500	TXTYETMRYFDSHF-MELADBBJSA-N	311.426	1.910	50	20	DDGD	
COC(=O)N(C)NC(=O)CCc1cccc(OC(F)F)c1	496051399	VIOOJYRCXXKAQL-UHFFFAOYSA-N	302.277	1.950	50	20	DDGD	
Cc1ccccc1NNC(=O)CNc1ccc(-c2nn[nH]n2)cc1	822362476	VKWUUDZXHDKPIH-UHFFFAOYSA-N	323.360	1.730	50	20	DDGD	
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NNC(=O)COc1ccccc1O	826773931	LUULDGAFTPRRME-ZWNOBZJWSA-N	322.361	1.122	50	20	DDGD	
COCc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1	826164279	OFQOEYVNQRRQAN-UHFFFAOYSA-N	324.344	1.770	50	20	DDGD	
Cc1ccncc1[C@H](C)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	826835259	JWIKJCADVJTAAD-TUAOUCFPSA-N	306.366	1.206	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccncc1)N(C)C(=O)OC(C)(C)C	496442111	HFGSEBVMKKBWTB-JTQLQIEISA-N	322.365	1.098	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H](C)Cc1cccs1	825632607	BXQRZLDHHDGXNF-JFGNBEQYSA-N	311.407	1.435	50	20	DDGD	
CCC(CC)n1nc(C(=O)Nc2cccc(B(O)O)c2)cc1C	584914351	VKKVPBPDZCPZHU-UHFFFAOYSA-N	315.182	1.485	50	20	DDGD	
COc1cccc(S(=O)(=O)NNC(=O)C(C)(C)C)c1OC	901853868	CZGCJCIUAXPDEF-UHFFFAOYSA-N	316.379	1.059	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCCC(=O)C(C)(C)C	822786553	RPQWUAYYBKQVKD-UHFFFAOYSA-N	301.387	1.139	50	20	DDGD	
C=C(CI)n1cc(CNCC#CC)nn1	900641225	OWHQFAPKZSKXDR-UHFFFAOYSA-N	316.146	1.297	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21)c1ccccc1	906641260	DUWOHAOWLFZTJX-CTHBEMJXSA-N	300.358	1.553	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NNC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)c1	827148946	QVQRZDMNSHRACS-SUNKGSAMSA-N	316.361	1.237	50	20	DDGD	
OB(O)c1ccccc1CNC[C@@H]1CCCN1C1CCCCC1	585038692	DIAVDOZLQWXLIP-KRWDZBQOSA-N	316.254	1.253	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C1CCC1	732142230	RVXBMTCLDVKWLD-OAHLLOKOSA-N	316.405	1.241	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(-c2nn[nH]n2)c1)C1CCC1	824499682	RAUAMVXFQYAIBZ-VIFPVBQESA-N	301.354	1.681	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H](C)c2cnn(C(C)C)c2)n1	732894538	YJZSEZUPKZDZOM-JTQLQIEISA-N	319.369	1.650	50	20	DDGD	
CCCN(NC(=O)COC[C@@H]1CCCO1)C(=O)OC(C)(C)C	496472038	GQEQURQCPKVFIH-LBPRGKRZSA-N	316.398	1.860	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@@H]1CCC(=O)N1	732282950	YWUQZKRNOYXLLV-NSHDSACASA-N	320.418	1.154	50	20	DDGD	
O=C1CCCN1Cc1cccc(NCc2ccc(B(O)O)cc2)c1	585012146	NSSTYZUMURDFJF-UHFFFAOYSA-N	324.189	1.101	50	20	DDGD	
CC1(C)CC(=NNC(=O)c2ncon2)c2ccc(F)cc2O1	901290652	YBWSZPDSJDDBNO-UHFFFAOYSA-N	304.281	1.904	50	20	DDGD	
CCOC(=O)NCC(=O)NNC(=O)c1cccc2ccccc12	491758775	OTWMOFXNQGNQSM-UHFFFAOYSA-N	315.329	1.347	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C1CCn2ccnc21	834922329	DCWPCTHGPKNPKZ-UHFFFAOYSA-N	300.318	1.195	50	20	DDGD	
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NNC(=O)OC(C)(C)C	495454218	PSUKEHGUROEJEU-VHSXEESVSA-N	300.355	1.522	50	20	DDGD	
COc1ccc(N(CC(=O)NNC(=O)C(C)C)CC2CC2)cc1	831594573	WAZJLESMWGOBTL-UHFFFAOYSA-N	319.405	1.715	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC(c2ccccc2F)CC1	736314419	ZUEGDVYEPPYWRV-LBPRGKRZSA-N	321.396	1.951	50	20	DDGD	
Cc1ccc(NNC(=O)NCCCS(C)(=O)=O)c(Cl)c1	838465372	OXWCJLWDXLDRNL-UHFFFAOYSA-N	319.814	1.709	50	20	DDGD	
O=C(N[C@@H]1CC[C@H](c2ccccc2)C1)c1ccc(B(O)O)cc1	584970719	RRHRGVKYMNCSFV-DOTOQJQBSA-N	309.174	1.433	50	20	DDGD	
CN(Cc1ccoc1)C(=O)NNC(=O)COCc1ccccc1	738496861	BLLQTZAORFUPDG-UHFFFAOYSA-N	317.345	1.669	50	20	DDGD	
O=S(=O)(CCl)N1CCC[C@@H](c2nnc3ccccn23)C1	830904036	YGTWEBNEOLCGEA-SNVBAGLBSA-N	314.798	1.435	50	20	DDGD	
CCCn1c(C)c(C(=O)NCB(O)O)c2cc(OC)ccc21	585063153	UYLNAULQSXYAOD-UHFFFAOYSA-N	304.155	1.110	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNC(=O)c1cccc(N(C)C)c1	838775766	IXLQAGAYKGDGGP-KGLIPLIRSA-N	320.393	1.264	50	20	DDGD	
COc1ccc2nc(NNC(=O)[C@@H]3C[C@H]3C(=O)O)c(C)cc2c1	833735414	ZWCJCZKVACPBLX-VXGBXAGGSA-N	315.329	1.716	50	20	DDGD	
Cc1cc([C@@H](C)NCc2ccc(B(O)O)cc2F)ccc1F	585030966	MXUMHESHUGOICU-LLVKDONJSA-N	305.133	1.804	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21	907644368	VIZKDSHUVWHBJP-KGYLQXTDSA-N	321.764	1.396	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)COCc2ccccc2)cn1	737636977	IWKOXPPRXZKYMN-UHFFFAOYSA-N	315.329	1.068	50	20	DDGD	
CC(C)CNC(=S)NNC(=O)c1cccc2ncccc12	730154021	XJDTWBDSGPRWJI-UHFFFAOYSA-N	302.403	2.000	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2CCN3CCC[C@H]3C2)C[C@@H]1Br	906239585	KUBYVWSTPBZACL-BLFANLJRSA-N	301.228	1.903	50	20	DDGD	
CC(C)CCNC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836183741	QOJDTKXVIQMUSF-UHFFFAOYSA-N	308.338	1.797	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNC(=O)CCCc1ccccc1	839641905	YERHTNHKJGGJPO-AWEZNQCLSA-N	320.389	1.746	50	20	DDGD	
O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cc(B(O)O)ccc1F	584951141	IMDXYHQSMAWYEY-GMXVVIOVSA-N	305.158	1.204	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	838651075	RPIGUJRFDQQOSA-BZPMIXESSA-N	317.455	1.194	50	20	DDGD	
COc1cc2c(cc1F)C(=NNC(=O)NC1CCCC1)C(=O)N2	834948280	GMQZICLSWGYVNW-UHFFFAOYSA-N	320.324	1.732	50	20	DDGD	
C[C@@]1(C(=O)Nc2n[nH]c3nc(O)ccc23)C[C@@H]1Br	908317216	WUDGPSNBSKQTLT-UPONEAKYSA-N	311.139	1.776	50	20	DDGD	
CC(CCCc1cccnc1)=NNC(=O)N1CCN(C)CC1	834973669	PQLJVDWKMBWHTO-UHFFFAOYSA-N	303.410	1.737	50	20	DDGD	
OB(O)c1cccc(CNC[C@@H]2C[C@H]2c2c(F)cccc2F)c1	585043896	WFUUFUMLYVIZRK-GXTWGEPZSA-N	317.144	1.538	50	20	DDGD	
CC[C@@H](O)[C@H](C)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	900697211	ILWOHUSINBTHLY-SMDDNHRTSA-N	316.361	1.040	50	20	DDGD	
CCc1nc2ccc(C(=O)NNc3nc[nH]n3)cc2nc1CC	839769130	HCSJWYWKHVQJKR-UHFFFAOYSA-N	311.349	1.630	50	20	DDGD	
CC(C)(C(=O)NNC(=S)Nc1ccccn1)N1CCCCC1	913825648	KWUHPSLAFPKZMP-UHFFFAOYSA-N	321.450	1.664	50	20	DDGD	
Cc1cc(NNC(=O)Cc2nnn(-c3ccccc3)c2C)ncn1	734255952	YZMXBGFSOMEDCP-UHFFFAOYSA-N	323.360	1.360	50	20	DDGD	
Cn1c(CC(=O)NN=Cc2ccc(O)cc2)nc2ccccc21	916313436	OTUXGNLAEKCCSV-UHFFFAOYSA-N	308.341	1.972	50	20	DDGD	
O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@H](B(O)O)C2)c1O	585077705	XMPDWVYWKDRCRJ-QMMMGPOBSA-N	300.507	1.003	50	20	DDGD	
COC(=O)COc1ccc(C(C)=NNC(=O)C2CCC2)cc1	731936088	GJLXHKYGDGDANZ-UHFFFAOYSA-N	304.346	1.879	50	20	DDGD	
Cc1cc(C)c(NC(=O)NNC(=O)c2cccn2C)c(C)n1	836633582	XCZMKYOWFMJZER-UHFFFAOYSA-N	301.350	1.812	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCCc1ccc(F)cc1	918000920	XWSWKVMYTFOJPG-UHFFFAOYSA-N	307.247	1.651	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)CC(F)(F)F)c1cccc(C#N)c1	745923092	LGUVSRYMPGEOEK-QMMMGPOBSA-N	314.267	1.902	50	20	DDGD	
CCCCC[C@@](C)(CC)C(=O)NNC(=O)CN1CCCC1=O	913732238	NKVJJKZYZRBITP-MRXNPFEDSA-N	311.426	1.753	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cc(O)nc(C2CC2)n1	847847495	KLUNJOGJMAQQAY-UHFFFAOYSA-N	306.713	1.260	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2cnn(CC)n2)o1	841621629	CMAFMKAOCGJOMO-UHFFFAOYSA-N	318.381	1.497	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2ccc(C(N)=O)cc2)n1	916531645	DECMHYPMXOKVDI-UHFFFAOYSA-N	314.349	1.019	50	20	DDGD	
CC(C)n1c(O)nc2ccc(C(=O)NN(C)C[C@H](C)O)cc21	910140517	IXGVIDGNHAIEED-JTQLQIEISA-N	306.366	1.280	50	20	DDGD	
O=C(NC[C@H]1CNCCO1)NNc1cc(Cl)cc(Cl)c1	842009850	BCOXXXUJCIIFHE-LLVKDONJSA-N	319.192	1.608	50	20	DDGD	
CCS[C@H](C(=O)NNC(=O)C(=O)NC(CC)CC)C(C)C	740851195	UKTNNWDBYIONPX-NSHDSACASA-N	317.455	1.216	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1ccc2c(c1)COC2	743430138	CSHQWRYXASHXFT-UHFFFAOYSA-N	301.346	1.179	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCC(C)(C)OCC2CC2)n1	840428498	RFNIZGSBGUKAOJ-UHFFFAOYSA-N	323.397	1.625	50	20	DDGD	
CN(C)C(=O)[C@@H]1CCN(C(=O)[C@@H](Br)C(C)(C)C)C1	840509812	QSGNDCGKJQOGGA-NXEZZACHSA-N	319.243	1.733	50	20	DDGD	
C#CCNC(=O)COC(=O)CCCC[C@H]1CCSS1	748843946	KFIJENCGQFUBBE-NSHDSACASA-N	301.433	1.993	50	20	DDGD	
CC(=O)NCCCCCC(=O)NNC(=O)CCc1ccccc1	749803161	BIZJKLLJRBMYDV-UHFFFAOYSA-N	319.405	1.463	50	20	DDGD	
CC(=NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1csc(C(=O)O)c1	844609896	XHHJTRJOFIWORJ-GMTAPVOTSA-N	308.359	1.854	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)[C@@H]1C[C@H]1C1CCC1	844415033	NDHWXZMVHAITIV-UONOGXRCSA-N	312.373	1.460	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2c(c1)CC(C)(C)O2	843661187	YNSWSGABCMIWBY-GXFFZTMASA-N	318.373	1.586	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NC[C@H]2CC[C@@H](C)O2)cc1	845251221	CLMJDSCOIRJTQC-BXUZGUMPSA-N	321.377	1.596	50	20	DDGD	
COc1ccc(C=NNC(=O)Cn2nc(C)cc2C)c(O)c1	914693580	HLGLXEGNQDAAFJ-UHFFFAOYSA-N	302.334	1.364	50	20	DDGD	
Cc1ncc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)s1	917539666	ALACATIBAWJTAD-UHFFFAOYSA-N	313.346	1.191	50	20	DDGD	
CC(=NNC(=O)Cc1csc(C)n1)c1ccc(O)cc1O	916317740	VKSFTVSQBKEXMQ-UHFFFAOYSA-N	305.359	1.946	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2cccnc2)on1)c1ccccc1	915357398	DFIITUCDIMCZIK-UHFFFAOYSA-N	308.297	1.811	50	20	DDGD	
C=C[C@](C)(CCOC)C(=O)NNC(=O)c1cccc(Cl)n1	912509051	ZQZVKIIJKZNIPJ-CQSZACIVSA-N	311.769	1.725	50	20	DDGD	
O=C(NCCC[C@H]1CCCN1)NNc1cccc([N+](=O)[O-])c1	842004220	LAXNYDLOBGOQTG-LLVKDONJSA-N	307.354	1.753	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@@H](CN1CCCC1)c1ccccc1	916469155	JDUSYZSCNSWDDT-HNNXBMFYSA-N	318.421	1.810	50	20	DDGD	
C=CCCC(=NNC(=O)CNC(=O)c1cccnc1)C1CC1	747766288	RFGBIUKBIAXLMJ-UHFFFAOYSA-N	300.362	1.660	50	20	DDGD	
CCC(CC)n1nc(C(=O)NNC(=O)c2ncccn2)cc1C	841350730	RSTBMSYQAZZKNZ-UHFFFAOYSA-N	316.365	1.417	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cnn1C(C)(C)C	843643387	IBYNIYJRYFBKOZ-MNOVXSKESA-N	308.382	1.133	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@@H](C)Cc1cnn(C)c1	846638528	DKITUMRJGDKHFZ-JTQLQIEISA-N	306.341	1.890	50	20	DDGD	
CS[C@H]1CC[C@@H](NC(=O)NNC(=O)c2ccc(C#N)cc2)C1	743568166	GDWHCPXZUKIEDO-OLZOCXBDSA-N	318.402	1.786	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)[C@@H]1CCc2c[nH]nc2C1	743340000	WYQILILJXYSMCD-LLVKDONJSA-N	307.357	1.628	50	20	DDGD	
CC(C)(C)c1ccncc1CNC(=O)NNC(=O)c1ccc[nH]1	840414058	OJVUXNWDZQHZBF-UHFFFAOYSA-N	315.377	1.851	50	20	DDGD	
CCn1cncc1C=NNC(=O)CNc1cccc(OC)c1	841614026	FFAJLYKYKZARFJ-UHFFFAOYSA-N	301.350	1.474	50	20	DDGD	
O=C(NNc1ccncn1)[C@@H](C[C@H]1CCCO1)C(F)(F)F	846237012	YNDSQSDSMXUFAP-RKDXNWHRSA-N	304.272	1.667	50	20	DDGD	
N#Cc1cccc(NNC(=O)Cn2cc(Br)cn2)c1	748048094	DDTGHMUXBIAJMP-UHFFFAOYSA-N	320.150	1.661	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H](C)Cc1cnc[nH]1	847477978	PWZIOMSHNPRKRU-SNVBAGLBSA-N	302.334	1.058	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2nc(S)oc2c1	843980093	RHGLDVJSIKWVDL-APPZFPTMSA-N	321.358	1.303	50	20	DDGD	
COC(=O)[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)CCl	921381430	BJPFWFARQAKZCF-SNVBAGLBSA-N	309.746	1.026	50	20	DDGD	
C[C@H](CCNC(=O)NC[C@@]1(C)C[C@@H]1Br)N(C)C	856961459	ZVFOQNLNIKBFGC-JFGNBEQYSA-N	306.248	1.799	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)CS(=O)(=O)C(C)(C)C	855369643	SPPHSRZHKXBWEW-UHFFFAOYSA-N	302.371	1.791	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccn2Cc2ccncc2)o1	752780723	BKWGIUHKUKWTNH-UHFFFAOYSA-N	324.340	1.908	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1Cc2ccccc2N(C)C[C@@H]1C	857565477	NGUNITAZTSGTEK-ZDUSSCGKSA-N	318.421	1.130	50	20	DDGD	
O=C(NC[C@H](C(=O)O)C1CCC1)NNc1cncc(Cl)n1	854238419	YPDCOQCPOMJSCU-QMMMGPOBSA-N	313.745	1.257	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1nc2c(s1)CCC2	755477596	UXYFJKJREODOQR-UHFFFAOYSA-N	306.351	1.130	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccccn2)cnc1Cl	757631358	ZINUBAVTXLECPQ-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
O=C(NN=C/C=C/c1ccccc1)N[C@H]1CCS(=O)(=O)C1	920382109	XBFSJIXDDJVJBM-WXRUCUSZSA-N	307.375	1.172	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C)[C@H]1CCCO1	853376007	IUOSKNNXCXJVRD-BPLDGKMQSA-N	320.393	1.559	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H](NS(C)(=O)=O)C(C)C)cc1F	856230306	LQDVAZNYSRMBER-LBPRGKRZSA-N	317.386	1.151	50	20	DDGD	
COCCCNC(=O)NN=Cc1cccc2c1OCCCO2	920829151	ASOUSAOQNSWJPF-UHFFFAOYSA-N	307.350	1.518	50	20	DDGD	
CCCCCCOCc1cccc(NC(=O)NNC(=O)CO)c1	756238384	FPYADHRCMLJVSG-UHFFFAOYSA-N	323.393	1.929	50	20	DDGD	
O=C(NCc1nc2c(s1)CCCC2)NNC(=O)C1CCC1	926441519	BDQLDKFLFUSEQO-UHFFFAOYSA-N	308.407	1.652	50	20	DDGD	
CCOc1nc2sccn2c1C=NNC(=O)c1cccnc1	753921456	GRHNLKXZYPVTCR-UHFFFAOYSA-N	315.358	1.953	50	20	DDGD	
CO[C@H](Cc1ccccc1)C(=O)NNC(=O)OCC(F)(F)F	856019074	OZBYCKGXWMNPNQ-SNVBAGLBSA-N	320.267	1.564	50	20	DDGD	
CC(C)(C)N1CC[C@H](NC(=O)NNc2cncc(Cl)n2)C1	854314505	OGEOSIJQMFYWEA-VIFPVBQESA-N	312.805	1.629	50	20	DDGD	
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NN(C)C(=S)NC	854922816	RFVHFHHLHDRABQ-LLVKDONJSA-N	324.406	1.631	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)Cc1cn2ccccc2n1)C1CC1	852593082	CCUOUTHTFIBUNP-CYBMUJFWSA-N	315.377	1.396	50	20	DDGD	
CN(C)c1nccc(NNC(=O)CC[C@@H]2CC2(Cl)Cl)n1	857133338	WAMQEXZGRKDDNS-MRVPVSSYSA-N	318.208	1.960	50	20	DDGD	
O=C(NNC(=O)c1ccc(-c2nnc(S)o2)cc1)NC1CC1	759594740	VWLVTVBPFWRSQX-UHFFFAOYSA-N	319.346	1.132	50	20	DDGD	
O=C(NCCC1CCC1)NNC(=O)c1ccc2c(c1)OCCO2	755271455	CUTWUUJFIKXGIZ-UHFFFAOYSA-N	319.361	1.592	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)[C@H]1COCCN1CC(F)F	856091682	TWTATVHWGKSBGO-SECBINFHSA-N	320.727	1.144	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C#CC(C)C)cc(OC)c1OC	854179235	VCUCYQFHNGPNBH-UHFFFAOYSA-N	320.345	1.133	50	20	DDGD	
CO[C@@](C)(C(=O)O)C(=O)NNc1c(Cl)cccc1Cl	852947929	TXVOUMIVENOIGY-LLVKDONJSA-N	307.133	1.926	50	20	DDGD	
COc1ccsc1C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	853389300	ZKNQFEFJLOOSOQ-PWSUYJOCSA-N	309.391	1.070	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC[C@@H](c2ccc(F)cc2)C1	755995945	PXXACILIDXKHPJ-CYBMUJFWSA-N	321.396	1.809	50	20	DDGD	
COC[C@@H]1CN(C(=O)NC[C@@]2(C)C[C@@H]2Br)CCO1	856898981	JRVQWSRCFRLCLG-JBLDHEPKSA-N	321.215	1.217	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)Nc1cnc2c(c1)CCCC2	860907152	UAJYSKVNGZCTPC-UHFFFAOYSA-N	300.322	1.150	50	20	DDGD	
CCCCCn1cc(CNC(=O)NNC(=O)C(C)C)c(C)n1	767304142	XUNODNJCJPZDTH-UHFFFAOYSA-N	309.414	1.868	50	20	DDGD	
O=C1NCC[C@]1(C(=O)NNc1ncc(F)cc1F)C1CCCC1	861940604	YBXKJBPWPHOOQT-HNNXBMFYSA-N	324.331	1.499	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccncc2)cc(OC)c1C	865894988	CUKQUALGDXCAFJ-UHFFFAOYSA-N	315.329	1.482	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)Cc2cccc(C3CC3)c2)n[nH]1	869015701	AKSLWYYGARTCET-UHFFFAOYSA-N	312.373	1.528	50	20	DDGD	
CSc1ccc2c(c1)CCCC2=NNC(=O)[C@@H]1CCC(=O)N1	863146222	UMVCDPAFYOQPID-AWEZNQCLSA-N	317.414	1.844	50	20	DDGD	
CCOc1cccc(CC(=O)NNC(=O)c2cc(C)cs2)n1	862479547	SHFXUVGZVPRXPZ-UHFFFAOYSA-N	319.386	1.854	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cc(Cl)c3c(c2)OCO3)n[nH]1	767411932	VVMXGNOETPZTEN-UHFFFAOYSA-N	320.736	1.793	50	20	DDGD	
C[C@H]1CN(C(=O)OC(C)(C)C)CC1=NNC(=O)c1cnccn1	863077757	VQROIGOLNWBANJ-JTQLQIEISA-N	319.365	1.449	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cc2n(n1)CCCO2	761419851	URCUNMLXQGDZHN-UHFFFAOYSA-N	300.318	1.049	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(Cl)c2)c(C)nn1	767191789	IFANLRKYNPKIOQ-UHFFFAOYSA-N	304.737	1.822	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCOC(C)(C)[C@@H]2C)cc1	763626710	FEYXICRPBFORMS-ZDUSSCGKSA-N	319.405	1.255	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1c(C(F)F)nc2ccccn12	865701246	IQXIYJUHSUAXCI-UHFFFAOYSA-N	308.288	1.833	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNC(=O)c2cc(C)cs2)CC1=O	862480045	LQAOTQXHFNJQPE-JTQLQIEISA-N	309.391	1.076	50	20	DDGD	
COc1cccc2cc(C=NNC(=O)[C@@H]3CCC(=O)N3)oc12	863146991	WJXJSXNOHKIBKC-NSHDSACASA-N	301.302	1.170	50	20	DDGD	
CC(C)c1cccc(NC(=S)NNC(=O)[C@@H]2CCC(=O)N2)c1	863203102	ALHCWTMKHZRSRY-LBPRGKRZSA-N	320.418	1.406	50	20	DDGD	
C[C@H](CNC(=O)NNc1ccc(F)cn1)CC1(C)OCCO1	868858313	KSZQWHGUETVUNK-JTQLQIEISA-N	312.345	1.636	50	20	DDGD	
COCCOc1ccc(F)cc1NC(=O)NNC(=O)C1CC1	764653314	VWSJWSCIUXBHGP-UHFFFAOYSA-N	311.313	1.414	50	20	DDGD	
COc1cccc(C(=O)NNCC(F)(F)C(F)(F)F)c1O	863092769	JSABWDDDPTWHQA-UHFFFAOYSA-N	314.210	1.833	50	20	DDGD	
CCCCOc1ccccc1C=NNC(=O)NCC(=O)OC	767386452	RHHDDJBTTFYXRW-UHFFFAOYSA-N	307.350	1.672	50	20	DDGD	
CCNc1nc(C(=O)NNc2ccnc(N(C)C)n2)cs1	769120517	BHGSLDOIBODZFI-UHFFFAOYSA-N	307.383	1.188	50	20	DDGD	
C[C@@H](CC(=O)OC(C)(C)C)NC(=O)NNc1ccc(F)cn1	1116016671	ZSTAPDSALYLTHW-VIFPVBQESA-N	312.345	1.967	50	20	DDGD	
CC1=C(C(=O)NNc2ccc(F)cn2)[C@@H](C)n2ncnc2N1C	874649466	OJIBUERLIZIDKD-SECBINFHSA-N	317.328	1.240	50	20	DDGD	
COCCOCC(=O)NN=C1CCCOc2c(C)cc(C)cc21	872401991	QCIJRBYGMBQXBX-UHFFFAOYSA-N	320.389	1.959	50	20	DDGD	
COCCN(C)NC(=O)c1cnn(-c2ccccc2)c1OC	1117802533	AUHVRAKDHSHNFD-UHFFFAOYSA-N	304.350	1.104	50	20	DDGD	
N#CSCCCNC(=O)CCn1cnc2ccccc2c1=O	773586688	YFJGXZAISGVXDK-UHFFFAOYSA-N	316.386	1.507	50	20	DDGD	
COCCOCC(=O)NN=Cc1cc2cc(Cl)cnc2o1	872400233	PXCFOKYEDCDCRJ-UHFFFAOYSA-N	311.725	1.594	50	20	DDGD	
O=C(NN=C1CCCNc2ccccc21)C(=O)N1CCCC1	774379833	VQKLPAFWPDEAMT-UHFFFAOYSA-N	300.362	1.335	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc[nH]1	875421821	UNSCWDFEUWOERD-MCIONIFRSA-N	302.378	1.396	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1csc(-c2ccccn2)n1	770550361	ZWBZFSJGUKWMCN-UHFFFAOYSA-N	305.363	1.511	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1	772846820	CSUNQYAYMUQKBF-NSHDSACASA-N	319.409	1.690	50	20	DDGD	
C[C@H]1CC[C@H](C(=O)NNC(=O)c2nnc(O)c3ccccc23)C1	776336213	IHESEHXAKQYYMD-UWVGGRQHSA-N	314.345	1.533	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccccc1OCC(F)F	884447884	MFJIMBSYGYLRFM-UHFFFAOYSA-N	315.276	1.137	50	20	DDGD	
C[C@H](CBr)CN1CCN(Cc2cnn(C)c2)CC1	770648561	GEQLICLRXFQLBV-GFCCVEGCSA-N	315.259	1.569	50	20	DDGD	
CC(C)Cc1cc(C(=O)NNC(=O)C2CCCC2)cc(O)n1	777300925	AZJVSZOVEJADKH-UHFFFAOYSA-N	305.378	1.937	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccc(NC(N)=O)cc1	772875613	DPNFZAJENYLPMW-UHFFFAOYSA-N	314.349	1.848	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1CNC(=O)NNC(=O)c1cccc(C#N)c1	774698811	FLUQIQLMMIUKCS-ZIAGYGMSSA-N	316.361	1.317	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc1O	882047960	ZKTHMHPSFZRXMZ-SGMGOOAPSA-N	304.346	1.277	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNc2cc(Cl)ccn2)c(O)n1	778453936	VWDVBHRISXMULX-UHFFFAOYSA-N	307.741	1.533	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C	771912794	HEGRTJBLWFRWSP-GMXVVIOVSA-N	310.394	1.714	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc(OC(F)F)cn1	773768609	OXZLBLRGNQGSRP-UHFFFAOYSA-N	318.349	1.590	50	20	DDGD	
O=C1Nc2c(F)cc([N+](=O)[O-])cc2C1=NNC(=O)c1ccc[nH]1	774361650	HAOGGEWBKMKAMN-UHFFFAOYSA-N	317.236	1.148	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@H]1CCOC2(CCC2)C1	889338907	ZAWURDGJIZPNLG-ZDUSSCGKSA-N	303.362	1.121	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](c1ccc(Cl)cc1)N(C)C	887150329	GHSSQWGFLZYVKK-OAHLLOKOSA-N	321.808	1.894	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](C)Oc1ccc(C=O)cc1	887149174	MEEUTEYZQORASV-LBPRGKRZSA-N	302.330	1.217	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(C(F)(F)F)ccn1	880403155	BERKFTZZQRYQDW-CBAPKCEASA-N	317.267	1.286	50	20	DDGD	
COCCN(C)NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1	883129278	OBSFYEHPHHDQRL-UHFFFAOYSA-N	319.264	1.176	50	20	DDGD	
CC(C)[C@H]1C[C@@H](CC(=O)NNC(=O)c2cccnn2)CCO1	882056633	BFYQNTOSZJNISF-WCQYABFASA-N	306.366	1.079	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C2(CN(C)C)CC2)ccc1C	880079257	UFALZJDCGUCVJG-UHFFFAOYSA-N	305.378	1.567	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N[C@@]1(C)CCOC1=O)c1ccccc1	1123767629	TVCZTHRIZPMIJN-WBMJQRKESA-N	319.361	1.216	50	20	DDGD	
CC(C)Cn1cc(NC(=O)C(=O)NNc2ccccc2)cn1	784765364	XKGRSUFZKIQGOB-UHFFFAOYSA-N	301.350	1.621	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@@H]2CCOC3(CCC3)C2)c1	888810227	WXDSCEJHDDQVIK-CQSZACIVSA-N	313.357	1.669	50	20	DDGD	
C[C@@H](c1ccccc1)[C@@H](NS(=O)(=O)CCCCl)C(N)=O	882215388	SAUYOXVDXOTUGT-CMPLNLGQSA-N	318.826	1.192	50	20	DDGD	
O=C(NN=Cc1cc(Br)c2c(c1)OCO2)C(F)F	782233978	LQAMBGDBCSNYGN-UHFFFAOYSA-N	321.077	1.893	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCCN1C(=O)NC2(CCCC2)C1=O	786674544	AEPLWNOIJGKTIP-FMIVXFBMSA-N	317.345	1.254	50	20	DDGD	
COC(=O)COc1ccc(C=NNC(=O)c2c[nH]nc2C)cc1	782225843	FNFTXRWQQHAVBN-UHFFFAOYSA-N	316.317	1.034	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1c[nH]nc1C1CC1	789734827	IALVGHIVSMUQSE-UHFFFAOYSA-N	318.764	1.944	50	20	DDGD	
COC(=O)[C@@H]1CN(C(=O)/C(C#N)=C/c2ccc(O)cc2)C[C@H]1C	787424884	MAJAONWZUULKJY-MYJSTESFSA-N	314.341	1.567	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCC(=O)Nc2ccccc21	783854817	CKTSHTHWBRLYAQ-LLVKDONJSA-N	319.361	1.291	50	20	DDGD	
COc1cccc2c1CCN(CC(=O)NNC(=O)C(C)(C)C)C2	782526433	JGMGDPQHIZZPIH-UHFFFAOYSA-N	319.405	1.247	50	20	DDGD	
C[C@H]1CCCc2ncc(C(=O)NNC(=S)NC(C)(C)C)n21	899998867	XIYLAPUVODQNGS-VIFPVBQESA-N	309.439	1.688	50	20	DDGD	
COC[C@H](C)NC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	890159578	VXDNAFANCMFBFJ-AAEUAGOBSA-N	323.393	1.436	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cccc(OCCN(C)C)c1	782556540	RZWIOVAIHNNQEX-UHFFFAOYSA-N	308.382	1.436	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@@H]1CCC(=O)c2cccn21)C1CC1	788753632	BFEQJOLLGHNWOH-SKDRFNHKSA-N	320.418	1.300	50	20	DDGD	
N#Cc1ccc(NNC(=O)CN2CCc3ccccc3C2=O)cc1	789996140	KPBLEMRBNIQEDD-UHFFFAOYSA-N	320.352	1.700	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cccnc2C(F)(F)F)n1	794085918	OEHQJPKVCNRKPQ-UHFFFAOYSA-N	324.262	1.879	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc(CN(C)C)cc2)n1	794079783	BPCYHOQKXNHCKC-UHFFFAOYSA-N	312.373	1.526	50	20	DDGD	
N#C/C(=C/c1cnn(Cc2ccccc2Cl)c1)S(N)(=O)=O	799894048	MMPBAILNEBTDTF-XGICHPGQSA-N	322.777	1.738	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CO[C@@H]2CCC[C@@H](C)C2)n1	794081296	BHXXGOGCMTTWFL-DGCLKSJQSA-N	305.378	1.746	50	20	DDGD	
C=C(CBr)COC(=O)c1ccc(-n2cncn2)nc1	795420255	HEBWWVJIBUBQRR-UHFFFAOYSA-N	323.150	1.770	50	20	DDGD	
CC(C)CC(=O)NN=C1CCCc2c1cnn2-c1ncccn1	792937125	UHFGDRSHARCQGQ-UHFFFAOYSA-N	312.377	1.865	50	20	DDGD	
CC(COC(C)C)=NNC(=O)c1cccc(S(C)(=O)=O)c1	799876236	UNYYHGNIJQCOOT-UHFFFAOYSA-N	312.391	1.621	50	20	DDGD	
Cn1nccc1[C@H]1CCCC(=NNC(=O)N2CCOCC2)C1	790287893	VOAXRZCZBXNOKY-LBPRGKRZSA-N	305.382	1.476	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1c[nH]c2cccnc12	791195555	ABIYEMNVAGVOPM-UHFFFAOYSA-N	312.304	1.706	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCCC[C@@H]1C[C@H](C)O	790429549	FNEORRQZHQFNPW-MELADBBJSA-N	313.442	1.194	50	20	DDGD	
COC(=O)c1cc(NC(=O)CCl)cc(S(C)(=O)=O)c1	1319921521	HJMUWVNOBNCGOT-UHFFFAOYSA-N	305.739	1.054	50	20	DDGD	
O=C(/C=C\c1cccnc1)NNC(=O)c1n[nH]c2c1CCCC2	1317780021	ZIIQIOSZDBEHNK-FPLPWBNLSA-N	311.345	1.158	50	20	DDGD	
Cc1nc([C@@H](C)NC(=O)NNC(=O)Nc2ccccc2C)no1	1322752885	YHGXFLIRJJOJOY-SECBINFHSA-N	318.337	1.783	50	20	DDGD	
CC[C@@H](C)N(C)CCNC(=O)NNC(=O)c1ccc(OC)cc1	1321452092	MXBGERCJZFNTJC-GFCCVEGCSA-N	322.409	1.370	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H](CC(=O)NNc1ccncn1)C1CC1	1326560024	LJRFROASQVYKEI-NSHDSACASA-N	321.381	1.613	50	20	DDGD	
Cc1nn(C)cc1CCC(=O)NNc1cccc(F)c1[N+](=O)[O-]	1256262266	IBMGLEZRIDEVEE-UHFFFAOYSA-N	321.312	1.852	50	20	DDGD	
CC(C)(C)OCCCC(=O)NNC(=O)c1n[nH]c2c1CCCC2	1321859550	AAKQXTGZUJCCQX-UHFFFAOYSA-N	322.409	1.645	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2	712925663	NYCKOVJWICKSJK-QJPTWQEYSA-N	307.843	1.882	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cccc3[nH]ccc23)c1Cl	1253163622	UIHVNWGFEPNWFM-UHFFFAOYSA-N	302.725	1.950	50	20	DDGD	
C[C@]1(CNC(=O)NCc2csc(N)n2)C[C@@H]1Br	1336152015	VTYUHSYOIVZUHT-OIBJUYFYSA-N	319.228	1.698	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CCc2c(C)ncnc2O)c1	1331882498	XHVNMDSEVVSROZ-UHFFFAOYSA-N	320.374	1.254	50	20	DDGD	
N#C[C@@H]1CCCN(C(=O)NNC(=O)c2cccc3cccnc23)C1	1341495879	KPAVVBYIRJTLLP-LBPRGKRZSA-N	323.356	1.825	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CCc1nccn1C	1346389228	GSTZJJDUAFKWKA-UHFFFAOYSA-N	305.290	1.875	50	20	DDGD	
O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1C[C@H]1F	1349341932	FXNHBOYLFJZSFW-RKDXNWHRSA-N	308.281	1.484	50	20	DDGD	
O=C(NC[C@H]1CCCN1CC(F)(F)F)NNc1ccncn1	1354523696	OILMIPAZDHLWLR-SECBINFHSA-N	318.303	1.129	50	20	DDGD	
CC(=O)NNC(=O)N[C@@]1(C(F)(F)F)CCc2ccccc21	1526906144	OBFYYHZENXVRPJ-LBPRGKRZSA-N	301.268	1.741	50	20	DDGD	
O=C(NCCC[C@H]1CCCN1)NNc1ccc(C(=O)O)c(F)c1	1601496020	WCTVZPQZLQWHST-SNVBAGLBSA-N	324.356	1.682	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)cccc1C(=O)O	1600053818	UZMLKUXFEADKPX-ZWKOPEQDSA-N	305.334	1.639	50	20	DDGD	
Cc1ccccc1[C@H](NNC(=O)c1scnc1C)C(=O)O	1600570060	NMHBQLKDVYVHKS-NSHDSACASA-N	305.359	1.820	50	20	DDGD	
N#Cc1cccc(NNC(=O)C(=O)Nc2ccccc2C(=O)O)c1	1601120824	NYYVNOOQVMZLTA-UHFFFAOYSA-N	324.296	1.338	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1ccc(Br)cc1	1608754584	QDTZTIGHNHDZHN-UHFFFAOYSA-N	300.112	1.167	50	20	DDGD	
O=C(NNc1cccc(F)c1C(=O)O)c1ccc([N+](=O)[O-])o1	1601560675	SSRGDECYOGSBNF-UHFFFAOYSA-N	309.209	1.782	50	20	DDGD	
O=C(CN1CCSC1=O)NNc1cccc(F)c1C(=O)O	1601319470	TYIBFBGUBZVLSS-UHFFFAOYSA-N	313.310	1.136	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)Cc1c(C)n[nH]c1C	1607140089	LTEUNUSYYKAFPI-UHFFFAOYSA-N	318.333	1.419	50	20	DDGD	
C[C@@](O)(Cc1ccccc1)C(=O)NNc1ncccc1C(=O)O	1603263414	JXGWWAZHZBJECX-MRXNPFEDSA-N	315.329	1.217	50	20	DDGD	
O=Cc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)s1	1607056802	QNFQGFHLDKJQTN-UHFFFAOYSA-N	314.330	1.498	50	20	DDGD	
CCc1nc(CC(=O)NNc2ncccc2C(=O)O)cs1	1603984003	KOZSYKMWXVZYMR-UHFFFAOYSA-N	306.347	1.485	50	20	DDGD	
O=C(O)Cc1cccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)c1	1602134904	IXQKXTULFMDNIX-UHFFFAOYSA-N	315.285	1.979	50	20	DDGD	
O=C(NNC(=O)c1cncc(C(=O)O)c1)Nc1ccccc1	1608479588	OFUWSCPHIDJINY-UHFFFAOYSA-N	300.274	1.246	50	20	DDGD	
N#CC1=CCN(CCCN2C(=O)CS/C2=C\C(=O)O)CC1	1610619792	BEVAYLLLDLJJFS-JYRVWZFOSA-N	307.375	1.034	50	20	DDGD	
Cc1c(Cl)cccc1C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549904590	KGRJDGWWZFOMLF-ZFWWWQNUSA-N	321.808	1.962	50	20	DDGD	
Cc1ccc2c(C(=O)NNC(=O)[C@@H]3CCCNC3)csc2c1	1579737040	LGFKKBFBAJOGJR-LLVKDONJSA-N	317.414	1.970	50	20	DDGD	
C/C(=C/c1cccnc1)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1588773429	ZKVZAKNHOUXKMI-LUAWRHEFSA-N	321.344	1.808	50	20	DDGD	
CCOc1nc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)co1	1590843944	NBODOUYDKYSIST-UHFFFAOYSA-N	315.293	1.010	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCc2cccc(C(=O)O)c2)cn1	1594536901	FZLANDWOIJOTFY-MKMNVTDBSA-N	310.313	1.342	50	20	DDGD	
CN(C)c1ncccc1C(=O)NNc1ccc(F)c(C(=O)O)c1	1598358773	NYQROFPSKGDNKK-UHFFFAOYSA-N	318.308	1.742	50	20	DDGD	
CO[C@@]1(C(=O)O)CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1	1599066773	YCBPFUILWDCULR-LJEUOOAZSA-N	318.304	1.435	50	20	DDGD	
O=C(O)C1=NO[C@H](C(=O)NNc2cccc(F)c2Cl)C1	1594888666	FVPBKYDVWRDFRH-QMMMGPOBSA-N	301.661	1.152	50	20	DDGD	
O=C(/C=C/c1ccc(C(=O)O)o1)NNC(=O)OCC(F)(F)F	1594673592	ZAKQJOXXLOCUKB-DUXPYHPUSA-N	322.195	1.311	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C/c1cc(F)c(C(=O)O)cc1F	1776117610	CDEOCQOLCPUGKO-UNXLUWIOSA-N	300.224	1.830	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C/c1cccc2[nH]nc(C(=O)O)c12	1776118024	PDQPTSFFNPBWHQ-RUDMXATFSA-N	304.269	1.428	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)C(C)C)CCO2)C1	1781214090	PNMZBEDRCXGNRU-SWLSCSKDSA-N	316.829	1.490	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)C	1795071444	VCTDMPBJPNJDHK-YVECIDJPSA-N	316.829	1.249	50	20	DDGD	
CCCCNC(=O)NNC(=O)COC/C=C/c1ccccc1	150881096	KSPXEOFKPZCKDV-JXMROGBWSA-N	305.378	1.847	50	20	DDGD	
Cc1cc(C(=O)NNc2ncnc3nc[nH]c23)cc(C)c1F	162271396	OZYLSZYCQWBDHJ-UHFFFAOYSA-N	300.297	1.866	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNc2ncccc2[N+](=O)[O-])cn1	153174989	NHWARLZTUDZOQY-UHFFFAOYSA-N	317.305	1.929	50	20	DDGD	
Cc1ccc(C(F)(F)F)cc1NC(=O)NNC(=O)CCO	156149716	WNGWFWCXFRRWMS-UHFFFAOYSA-N	305.256	1.549	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc2nc(C3CC3)oc2c1	156167432	HUIJYOSYFPHQJB-UHFFFAOYSA-N	317.349	1.420	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cccc(C)c2F)n1	157649118	VJDQXUGCXNNTHY-UHFFFAOYSA-N	304.325	1.409	50	20	DDGD	
O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)NC1CC1	53919290	QKYUDDBLPCXJPM-UHFFFAOYSA-N	317.267	1.577	50	20	DDGD	
CC(C)C(=O)Nc1nc(CC(=O)NNc2ncccn2)cs1	52410162	LEHCSNUOUYSBFP-UHFFFAOYSA-N	320.378	1.213	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Nc1cc(C)on1	56502084	SUIGBUVRTDFIBU-UHFFFAOYSA-N	304.306	1.387	50	20	DDGD	
O=C(Cc1coc(-c2cccs2)n1)NNC(=O)NCC1CC1	106018577	CPFOVYOHTUTLNH-UHFFFAOYSA-N	320.374	1.686	50	20	DDGD	
CNC(=O)NNC(=O)CCc1ccc(-c2ccccc2F)o1	56376037	LHXPUHFPKVDLMO-UHFFFAOYSA-N	305.309	1.979	50	20	DDGD	
CCc1ncc(C(=O)NNC(=O)CCc2ccccc2O)s1	106285775	MRDLNALCIPYMKT-UHFFFAOYSA-N	319.386	1.805	50	20	DDGD	
O=C(CCOC[C@H]1CCCO1)NNC(=O)Cc1ccccc1F	108975144	LGQOCBZMFNBWEB-CYBMUJFWSA-N	324.352	1.101	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	54029773	WHGJLZDQACNAAT-UHFFFAOYSA-N	317.349	1.057	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)CCc2ccccc2O)cn1	106287024	DVHKZLUQUFFHCU-UHFFFAOYSA-N	313.357	1.418	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1cccc([N+](=O)[O-])c1	103181112	NTUKZGMHMCUAQY-UHFFFAOYSA-N	308.338	1.861	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)NCc1ccco1)c1ccccc1	106752939	JEIBIYPXVLPMAH-MRXNPFEDSA-N	317.345	1.672	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CSc2ccccc2O)o1	179715829	KIVCEAUZXDCTOR-UHFFFAOYSA-N	306.343	1.847	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CC[C@@H]2CCCCO2)c(O)c1	111572907	YLQYLCYSKGLEHR-LBPRGKRZSA-N	306.362	1.811	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1cc(F)cc2nccnc12	118497237	CKGMLGLUSZQDSX-UHFFFAOYSA-N	318.699	1.969	50	20	DDGD	
COCc1cc(C(=O)NNc2cc(F)c(F)cc2F)no1	173622239	NFYXGAHJXZCXRK-UHFFFAOYSA-N	301.224	1.995	50	20	DDGD	
CN(C)C(=O)CCCC(=O)NNC(=O)c1c[nH]c2ccccc12	118760600	NCMIDUALQFOOAG-UHFFFAOYSA-N	316.361	1.187	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@H](CN(C)C)C1	174851308	LGHGDWFNXUOBJW-CYBMUJFWSA-N	312.845	1.762	50	20	DDGD	
CCCCOCC(=O)NNC(=O)COc1ccccc1CC	118492696	FJHPZGSDNMOWIB-UHFFFAOYSA-N	308.378	1.592	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cnc2ccccc2n1	67436956	RZAWXTPJIHYAHW-UHFFFAOYSA-N	322.324	1.713	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc21)c1ccc(Cl)nc1	113150396	IQEGJMRMYMZHKP-LLVKDONJSA-N	317.732	1.672	50	20	DDGD	
Cc1cc(F)cc(S(=O)(=O)NNC(=O)c2ccccc2)c1	176672128	VBTUFMSMLZRGDY-UHFFFAOYSA-N	308.334	1.757	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)c1ccsc1	173894440	BKBRJJVXJNUFEK-UHFFFAOYSA-N	300.343	1.400	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](C)c1cc2ccccc2o1	66697983	RHBQGSGJICXMHX-SNVBAGLBSA-N	305.334	1.861	50	20	DDGD	
CCc1cnc(NC(=O)NNC(=O)Cc2ccncc2)s1	186237940	PLRFPSRIWDUYKM-UHFFFAOYSA-N	305.363	1.496	50	20	DDGD	
CSC[C@@H]1CCCN1CC(=O)NNC(=O)c1ccccc1	182484431	KCFLCSPOGCTYLE-ZDUSSCGKSA-N	307.419	1.275	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc3ccccc3n2)ncn1	121358832	ZTHIQBCLRNXTFO-UHFFFAOYSA-N	307.313	1.408	50	20	DDGD	
Cc1cc(NNC(=O)c2cccc(C[S@@](C)=O)c2)nc(C)n1	129078348	HHZXSTAOOQQPIO-QFIPXVFZSA-N	318.402	1.729	50	20	DDGD	
CCN(CC)CCNC(=O)NNC(=O)c1cccc(N(C)C)c1	79028680	CUPVLEDPRSFMRB-UHFFFAOYSA-N	321.425	1.038	50	20	DDGD	
C[C@@H](CCc1ccccc1F)C(=O)NNC(=O)N1CCOCC1	79806077	GUISCFGXQBFBQI-LBPRGKRZSA-N	323.368	1.467	50	20	DDGD	
COc1ccc(CCC(=O)NNc2cccnn2)cc1OC	77036319	FXXGERMKEHEKLR-UHFFFAOYSA-N	302.334	1.570	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC=C(C#N)C#N)cc1	78608364	XYWQCQNMUXTZQR-NSHDSACASA-N	300.318	1.404	50	20	DDGD	
CN(NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1)C(N)=O	181073563	MYEPDDKONBJGCT-UHFFFAOYSA-N	324.344	1.135	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)Cc2ccncc2)ccc1F	187084344	QCVDTTLBSRVJQV-UHFFFAOYSA-N	318.308	1.625	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(Cl)c(F)c2)n1	120340431	SMGONQXSBXGAMO-UHFFFAOYSA-N	324.743	1.754	50	20	DDGD	
C[C@@H](O)CN1CCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)CC1	189370805	CAXSXUQELUHHGD-JWYAVWBNSA-N	316.361	1.458	50	20	DDGD	
CC(=O)N1CC(C(=O)NNc2ccccc2Br)C1	191930968	KFBFIKHQYRMLNZ-UHFFFAOYSA-N	312.167	1.371	50	20	DDGD	
COc1nccnc1NNC(=O)COc1ccccc1Cl	132125255	QNYOCNXMCVQBPZ-UHFFFAOYSA-N	308.725	1.661	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Cc2c(F)cccc2F)n1	86994892	HNMUWTURZREEOK-UHFFFAOYSA-N	322.315	1.168	50	20	DDGD	
Cc1c([N+](=O)[O-])cc(C(=O)NNC(=O)C(C)(C)C)cc1[N+](=O)[O-]	193652300	HKFZBAHVPVCZRI-UHFFFAOYSA-N	324.293	1.619	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H]2C[C@H](O)C2(C)C)cc(C#N)n1C	190479852	VDLJBFZCYWVOJL-AMGWZVKNSA-N	312.373	1.388	50	20	DDGD	
CCCCOCCNC(=O)NNC(=O)Cc1ccc(F)cc1	195288077	CDRXIZHXMFXBTI-UHFFFAOYSA-N	311.357	1.515	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1c(C)nn(C)c1C	98106061	RVGXRBYCRCPAOI-UHFFFAOYSA-N	316.361	1.049	50	20	DDGD	
CSCCNC(=S)NNC(=O)/C=C\C1CCCCC1	255519090	ZQDPMOYQEUOJHV-FPLPWBNLSA-N	301.481	1.981	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(OC(C)C)nc2)n1	266955182	SOKHIDNMMVPWEX-UHFFFAOYSA-N	317.349	1.733	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cccc2cnccc12	266652836	FMZIFRWXYZKKAC-UHFFFAOYSA-N	302.334	1.215	50	20	DDGD	
CCOc1ccc(C(=O)CCC(=O)NNC(=O)C2CCC2)cc1	264770241	ODXDVVQDEQSURD-UHFFFAOYSA-N	318.373	1.996	50	20	DDGD	
CS(=O)(=O)CC(=O)NNc1ccc(OC(F)(F)F)cc1	268431441	ATIFLTYMLPFEAT-UHFFFAOYSA-N	312.269	1.073	50	20	DDGD	
CCNC(=O)COc1ccc(NC(=O)/C(C#N)=C/OCC)cc1	269498243	VYISMXSRWCJVKP-ZRDIBKRKSA-N	317.345	1.584	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(C(F)(F)F)cc1)S(C)(=O)=O	269601927	YTGVPNWIVZAYRW-UHFFFAOYSA-N	324.324	1.972	50	20	DDGD	
CO[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ccccc1O	266806729	ORDIRUCGRSMANI-WCQYABFASA-N	307.350	1.294	50	20	DDGD	
CCCOC(=O)CCNC(=O)NNC(=O)c1ccccc1C	265502373	DFTZKOZZHWZCBS-UHFFFAOYSA-N	307.350	1.282	50	20	DDGD	
CC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	271098708	MKGQFPIIRZXGFU-AWEZNQCLSA-N	321.377	1.495	50	20	DDGD	
CC1(C)C[C@@H](NC(=O)NNC(=O)c2ccccc2O)C(C)(C)O1	272544907	HOPCRXPAKGOTHI-GFCCVEGCSA-N	321.377	1.682	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)CCc1nc(N(C)C)no1	275744408	UDQFWLSGPBEMAN-UHFFFAOYSA-N	307.329	1.659	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1C(=O)NNc1nc(O)c2ccccc2n1	278696641	MKYIRUXMNKAOEB-DGCLKSJQSA-N	314.345	1.760	50	20	DDGD	
Cc1ncc(C(=O)NNc2nc3ccccn3n2)c(C(C)C)n1	276898939	ZQZFQFFUDXWFRA-UHFFFAOYSA-N	311.349	1.708	50	20	DDGD	
CCOC(=O)c1cnc(C)c(C(=O)NNC(=O)CC(C)(C)C)c1	272163857	ZOOQGJPPMYFGPO-UHFFFAOYSA-N	321.377	1.764	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)CC[C@H](C)OC)c1	272797034	FKZHPQRSAMKGOX-NSHDSACASA-N	309.366	1.070	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(Cl)nc1	276640943	XQWPMQSQOGMKJG-UHFFFAOYSA-N	315.757	1.285	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2nccc(C(F)F)n2)n1	288850565	OIQJJJKHDXRBSW-UHFFFAOYSA-N	323.307	1.647	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H](CC)c1ccc(OC)cc1	281171128	IWNAUGFVSJWXIT-CYBMUJFWSA-N	307.419	1.870	50	20	DDGD	
CCCC[C@@H](C)C(=O)NNC(=O)Cc1cn2ccccc2n1	281966707	REVJCVXWFLNDEQ-GFCCVEGCSA-N	302.378	1.851	50	20	DDGD	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ccc(C#N)c(Cl)c1	286007915	HZMMEAZLZYRFDX-WDEREUQCSA-N	307.737	1.854	50	20	DDGD	
Cc1cccnc1SCC(=O)NNC(=O)c1ccccc1	804922454	RNQFNZZTRCUMLU-UHFFFAOYSA-N	301.371	1.943	50	20	DDGD	
O=C(NNc1ncncc1Cl)C(F)(F)C1(O)CCCC1	803153423	ZCJIDSSPPMLKFM-UHFFFAOYSA-N	306.700	1.514	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NNc1nnc[nH]1	298287873	IDWLTSVBAZIRGH-VIFPVBQESA-N	312.374	1.283	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(N2CCOCC2)c(F)c1	804125375	HKORBWGBWAVYRN-UHFFFAOYSA-N	311.313	1.005	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cnn2c1CCC2)c1ccccc1	294758604	XZPNAVZAADZHIC-UHFFFAOYSA-N	312.373	1.568	50	20	DDGD	
CC[S@](=O)CC(=O)NNc1ccccc1Br	295437515	MVFRJSOVXMLDAY-INIZCTEOSA-N	305.197	1.661	50	20	DDGD	
CC(C)Oc1ccccc1CNC(=O)NNC(=O)[C@@H]1CCCO1	291938963	MRYCNAGOPJIMIR-AWEZNQCLSA-N	321.377	1.483	50	20	DDGD	
COc1ccc([C@H](C)NC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	296332928	LUDZRRVWGBKEOA-FZMZJTMJSA-N	321.377	1.656	50	20	DDGD	
CN(NC(=O)c1ccnc2c1ncn2C)C(=O)OC(C)(C)C	297359486	UGYJUQFKFLQVIT-UHFFFAOYSA-N	305.338	1.480	50	20	DDGD	
CO[C@@H](C)c1nsc(NC(=O)NNc2ncccc2F)n1	809927616	CZNSPSDCESWKHP-LURJTMIESA-N	312.330	1.928	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CCc2cnc[nH]2)cc1	802058361	YJAGXGYGVRRLPV-UHFFFAOYSA-N	303.322	1.204	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)Cc2ccc(F)cc2)n1C	814757307	VTRVYPCJZATMRS-UHFFFAOYSA-N	317.320	1.644	50	20	DDGD	
COCC(C)(C)C(=O)Nc1cccc(NC(=O)NN(C)C)c1	816406548	UIYYAJYWJXXVFT-UHFFFAOYSA-N	308.382	1.896	50	20	DDGD	
Cn1nncc1NNC(=O)c1cnc(-c2ccccc2)s1	816769772	VNVOGNLJNZLAHX-UHFFFAOYSA-N	300.347	1.696	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H]1C[C@@H](c2ccccc2)OC1=O	813426282	UQJADZGWDDTJQL-RYUDHWBXSA-N	305.334	1.031	50	20	DDGD	
O=C(NN=Cc1conc1Cc1ccccc1)N1CCOCC1	814819555	DLMNENFVVJXVGI-UHFFFAOYSA-N	314.345	1.641	50	20	DDGD	
CC[C@@H](C)C(=O)NN=C(C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	811639055	NBSSYKQMWIQZII-MRVPVSSYSA-N	302.334	1.103	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)c2ccnc(N(C)C)c2)C1	819808468	WDYZFNIWOMQBPA-UHFFFAOYSA-N	304.350	1.207	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1cccc(C(=O)O)c1Cl	814956597	GXVSNMZISLLGQW-UHFFFAOYSA-N	306.709	1.454	50	20	DDGD	
O=C(O)COc1ccccc1C=NNC(=O)[C@@H]1CCCS1	819828224	VLSNZHSMTKLYQK-LBPRGKRZSA-N	308.359	1.496	50	20	DDGD	
CC(C)(C)[C@H]1CC(=NNC(=O)Cc2cc(O)nc(O)n2)CS1	814860184	MPHAUIYXABMHKO-SNVBAGLBSA-N	324.406	1.454	50	20	DDGD	
COc1ccc(NNC(=O)[C@](C)(OC)C2CC2)c([N+](=O)[O-])c1	812535478	XEQLJJOYMCRKJU-CQSZACIVSA-N	309.322	1.862	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCCc2ccc(N)cc21	814864653	GZXVXZUSMGPBTK-NSHDSACASA-N	305.378	1.477	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1c(F)cc(OC)cc1F	726766672	GLYAMYGCZNZDFW-ZETCQYMHSA-N	322.333	1.329	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCc1ccc2c(c1)COC2	493732286	AAIWFLBWFUUTDP-UHFFFAOYSA-N	307.350	1.956	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(OC(F)F)c2)nn1C	728486254	RJZPULLMZXIZOO-UHFFFAOYSA-N	324.287	1.405	50	20	DDGD	
COC(=O)c1cncc(C(=O)NN(C)C(=O)OC(C)(C)C)c1	496523565	JYDYVPDTJNDODP-UHFFFAOYSA-N	309.322	1.380	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc(Br)cn1	727373557	GCUJOCOFHXYSCX-UHFFFAOYSA-N	313.155	1.198	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)/C=C\C2CCOCC2)cc1	491794905	KTKDZBNPOZTVHT-YVMONPNESA-N	302.374	1.993	50	20	DDGD	
C[C@H](CCS(C)(=O)=O)NC(=O)/C(C#N)=C/c1ccc(F)cc1	490876786	KVVXRSVIAOVWIO-VSXLWIIGSA-N	324.377	1.672	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCO1	824868643	WPXZPSBNZKOYOR-KOLCDFICSA-N	302.338	1.125	50	20	DDGD	
O=Cc1ccccc1OCC(=O)NNC(=O)NCc1ccco1	727373584	HBRCKHOPIGRKFD-UHFFFAOYSA-N	317.301	1.002	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](Br)C(C)(C)C)nc(N)n1	828372302	XQHIRPXBJYZZAU-MRVPVSSYSA-N	316.203	1.620	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc2nc[nH]c2c1	826447097	MTZSFXXEALCGRQ-UHFFFAOYSA-N	320.316	1.500	50	20	DDGD	
CC(C)C[C@H](C)n1nccc1NC(=O)NNC(=O)c1cc[nH]n1	822556701	CGIDCELHXMMMTN-JTQLQIEISA-N	319.369	1.680	50	20	DDGD	
CC(C)[C@H]1CN(C)CCN1C(=O)/C(C#N)=C/c1cnn(C)c1	491159230	HZWCCTYCYLTMNI-KEQVLUGWSA-N	301.394	1.126	50	20	DDGD	
Cc1cc(-c2cccc(F)c2)nnc1N1CC[C@H](B(O)O)C1	585074568	ZRDFBQJURKRQQE-LBPRGKRZSA-N	301.130	1.644	50	20	DDGD	
OB(O)c1ccccc1CNCc1cc(Cl)cc2c1OCC2	585035270	QSQGKBXZDNWPFW-UHFFFAOYSA-N	317.581	1.245	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C1CCO[C@H](C)C1	496783506	FRQMEIJEZJEQPK-YPMHNXCESA-N	323.393	1.574	50	20	DDGD	
Cc1ccc(C[C@@H](C)NC(=O)c2cccc(B(O)O)c2)s1	584948225	FBXLLDBJEBGTLU-SNVBAGLBSA-N	303.192	1.097	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(N=c2cc[nH]cc2)cc1	823951615	LMGXEZUGYQYNRJ-LBPRGKRZSA-N	300.362	1.205	50	20	DDGD	
CCCONC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	828226291	CDGBJHHCBDAFQB-GFCCVEGCSA-N	309.366	1.743	50	20	DDGD	
Cc1cccc(NNC(=O)c2cc(-c3nn[nH]n3)cs2)c1	822328918	VCGIDEGWICUQKW-UHFFFAOYSA-N	300.347	1.994	50	20	DDGD	
CCc1ccccc1-n1cc(O)c(C(=O)NN(C)[C@H](C)CO)n1	823912423	FUQQEPVANZLWLC-LLVKDONJSA-N	318.377	1.098	50	20	DDGD	
COC(=O)c1ccc2[nH]cc(C=NNC(=O)NC(C)C)c2c1	731927053	YLLMSAMODNNPPO-UHFFFAOYSA-N	302.334	1.996	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C	496035253	ISQOVHUCZDFHQM-UHFFFAOYSA-N	317.323	1.151	50	20	DDGD	
CC(C)c1[nH]ccc1C(=O)NNC(=O)CNC(=O)OC(C)(C)C	495690157	KYMHZJMEHURSRK-UHFFFAOYSA-N	324.381	1.424	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCCC12CCCCCC2	584970996	ITPQUYJJNWJBSD-UHFFFAOYSA-N	319.185	1.835	50	20	DDGD	
C[C@H]1CN(C(=O)[C@]2(C)C[C@H]2Br)C[C@@H](C)S1(=O)=O	908298473	GSAUZEIPECQYPT-PKIKSRDPSA-N	324.240	1.194	50	20	DDGD	
O=C(NNS(=O)(=O)c1cccc2cccnc12)C1CCC1	734743376	QAIPQGSBCQEVJM-UHFFFAOYSA-N	305.359	1.344	50	20	DDGD	
CCOC(=O)[C@H](C)[C@H](C)NC(=O)[C@]1(C)C[C@@H]1Br	907347430	GAIFFHGSRTZLLC-JDVQERKKSA-N	306.200	1.864	50	20	DDGD	
CO[C@@H]1COCC[C@H]1CNC(=O)NNc1ncc(F)cc1F	838658757	KXMLWRGMQZRTPJ-GZMMTYOYSA-N	316.308	1.037	50	20	DDGD	
CCCc1nnc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)s1	831110074	HHBKYZPZUIKYRR-JGVFFNPUSA-N	313.383	1.068	50	20	DDGD	
O=S(=O)(CBr)N[C@H](C1CC1)[C@H](CO)C1CC1	832230698	FSADCSFZEXYMCI-NXEZZACHSA-N	312.229	1.055	50	20	DDGD	
CC(=O)c1cccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	831057165	DMKOBXIOUVXYMP-ZWNOBZJWSA-N	305.334	1.467	50	20	DDGD	
COC(=O)c1sc(NC=C(C#N)C#N)c(C#N)c1CC(=O)O	831479883	XDJOKWLQZYEINH-UHFFFAOYSA-N	316.298	1.376	50	20	DDGD	
O=S(=O)(CCCCl)NCc1cnn(CC2CCC2)c1	907451606	VXJOLLXOMXTTLS-UHFFFAOYSA-N	305.831	1.732	50	20	DDGD	
CN(NC(=O)[C@H]1CCCN1c1ncccn1)C(=O)OC(C)(C)C	838365162	YPJMBDLXYZNECU-LLVKDONJSA-N	321.381	1.344	50	20	DDGD	
CCc1nc(C(=O)NNc2ncccn2)nn1-c1ccccc1	735464456	FNBXENNQAJHGLJ-UHFFFAOYSA-N	309.333	1.377	50	20	DDGD	
C[C@H](C(=O)O)n1cccc1C=NNC(=O)CCc1ccco1	833406452	GTKWFBZXIWFWMK-LLVKDONJSA-N	303.318	1.810	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCCO1)c1cc(C(=O)O)ccc1O	834988346	HTSQMXOEPOYPTJ-ZDUSSCGKSA-N	306.318	1.500	50	20	DDGD	
CC(C)(O)[C@H](Oc1ccccc1)C(=O)NNc1cnccn1	832395452	KJSJTXZJYGWYIZ-CYBMUJFWSA-N	302.334	1.138	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H](NC(=O)O)C(C)C)c1	738736886	YRNSBUYDIIHNOC-LLVKDONJSA-N	324.406	1.605	50	20	DDGD	
CC(C)CCC[C@@H](C)NC(=O)COc1ccc(B(O)O)cc1	584910380	ZIPBHQVXHSXDMH-CYBMUJFWSA-N	307.199	1.076	50	20	DDGD	
CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(B(O)O)cc1	584927619	ACLRUJNSSCILNA-CQSZACIVSA-N	315.203	1.578	50	20	DDGD	
CCN(CC)[C@@H](CNCc1ccccc1B(O)O)c1ccco1	585020085	WKVNODIDOUBCLV-INIZCTEOSA-N	316.210	1.132	50	20	DDGD	
CC[C@@H](C)[C@H](C(=O)NNC(=O)c1ncon1)c1ccccc1	832825746	GGAUVFVSMLNTCE-PWSUYJOCSA-N	302.334	1.661	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1NC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	838760935	IDFQSMNPZYIETM-NTZNESFSSA-N	323.368	1.968	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(Nc2nccs2)cc1F	911444324	QOTXSBMOWGFJOP-UHFFFAOYSA-N	324.381	1.985	50	20	DDGD	
CCC1(CNC(=O)NNc2ncnc3ccsc23)COC1	836633962	IXZOQQOKOCTPSB-UHFFFAOYSA-N	307.379	1.744	50	20	DDGD	
CC(C)c1cccc(OCC(=O)NNC(=O)[C@@H]2CCCCO2)c1	833256457	NUBXKKCFLKJMJQ-HNNXBMFYSA-N	320.389	1.905	50	20	DDGD	
C[C@H]1C[C@@H](C)N(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1	839493595	IAWBTSZUEADYEE-WDEREUQCSA-N	320.349	1.086	50	20	DDGD	
NC(=O)C(=O)NN=C(Cc1ccccn1)c1ccc(Cl)cc1	745192609	LOMDTABTNLICNP-UHFFFAOYSA-N	316.748	1.283	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Cc1ccn(C(C)C)n1	742655308	KGPZECZYGVVDNM-UHFFFAOYSA-N	316.361	1.476	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1Cl)N[C@@H]1CCNC1	841940210	ZVXAWLZKMXNANS-MRVPVSSYSA-N	317.176	1.299	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)[C@@H]1CCCCO1)C(=O)N2C	844601308	RONFYYPYLDLBDS-ZDUSSCGKSA-N	317.345	1.061	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2C[C@H]2C2CCC2)cc1	845083242	CLFPPZDMLAJXTK-LSDHHAIUSA-N	302.374	1.957	50	20	DDGD	
O=C(NNc1ncccn1)[C@@H]1CC(=O)N(C2CCCCC2)C1	914834775	SKBKXVFARYNGBG-LLVKDONJSA-N	303.366	1.101	50	20	DDGD	
CC(C)O[C@H](C(=O)NNC(=O)c1ncccn1)c1ccccc1	841351718	BSMQNGPKAHMCSE-ZDUSSCGKSA-N	314.345	1.404	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)/C=C\c1ccc2[nH]ccc2c1	843661996	PKTKVCNBKPEQRZ-GXCJQXLXSA-N	313.357	1.754	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)NCc1cc[nH]n1	840261213	KIJQAGIMPOCAQP-UHFFFAOYSA-N	309.761	1.803	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1C[C@H]1C1CCC1	844348900	DCKXOCLKQCPFGY-UONOGXRCSA-N	302.374	1.821	50	20	DDGD	
CO[C@@H](CC(=O)NNC(=O)c1ccccc1F)C(F)(F)F	844277585	CVAUAUAZJYEMSD-VIFPVBQESA-N	308.231	1.554	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@H]1CCCC(=O)N1	840545377	GOEFLBBOECMMPR-MRVPVSSYSA-N	311.773	1.365	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)c(C)c1)[C@@H]1CCOC1	741758391	WZCBHDZTANFZMD-CYBMUJFWSA-N	303.362	1.771	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NN=Cc1ccc(C(=O)O)[nH]1	749815297	NBFBQHFHOQLRJO-UHFFFAOYSA-N	310.313	1.818	50	20	DDGD	
CC(C)O[C@@H]1CCCN(C(=O)/C(C#N)=C/c2cnn(C)c2)C1	846364013	UCCODQFRNBCXLK-KEQVLUGWSA-N	302.378	1.743	50	20	DDGD	
CCNc1ncc(C(=O)NNC(=O)c2ccccc2F)s1	748013501	MQLHEXUCIDXKKJ-UHFFFAOYSA-N	308.338	1.789	50	20	DDGD	
COC(=O)c1cnc(C(C)=NNC(=O)Cc2cc(C)[nH]n2)s1	841616691	QYXRJEZCXRDJAT-UHFFFAOYSA-N	321.362	1.044	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C1C(=O)Nc2c1cccc2C(C)C	841626078	LQBFVZVNRUDMRI-UHFFFAOYSA-N	311.345	1.928	50	20	DDGD	
O=C(NN=C1CCN(CC(F)(F)F)CC1)c1cccnc1	915935762	IRKLEZVFSVQPCO-UHFFFAOYSA-N	300.284	1.826	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)C1)c1ccc2ccccc2c1	917547170	MHWDIBWBCMZZRK-UHFFFAOYSA-N	302.355	1.744	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1n[nH]c2c1C[C@H](C)CC2)C1CC1	912162499	WVDFDLPAWRLWSP-BDAKNGLRSA-N	321.450	1.442	50	20	DDGD	
CC(C)(O)C(=O)NN=C1CCCCc2ccc([N+](=O)[O-])cc21	841638079	NHSHETJYYJWCLO-UHFFFAOYSA-N	305.334	1.912	50	20	DDGD	
CN(C)N(C(=O)c1cccc(C2CC2)c1)[C@H]1CCS(=O)(=O)C1	846783852	FIFITUWDGCIMDS-HNNXBMFYSA-N	322.430	1.670	50	20	DDGD	
COc1cccc([C@@H](C)CC(=O)NNC(=O)c2ncccn2)c1	841350619	ONGKOCUMAKUCHP-NSHDSACASA-N	314.345	1.440	50	20	DDGD	
Cc1cc(NNC(=O)CCCS(C)(=O)=O)ccc1Cl	928341080	NMRSHFZFNPCDBH-UHFFFAOYSA-N	304.799	1.916	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1ccc2ccccc2n1	749810374	SLQXBHNCXNYKLQ-UHFFFAOYSA-N	310.357	1.697	50	20	DDGD	
O=C(C#Cc1ccccc1)NNC(=O)COc1ccc(F)cc1	747347659	BOMQUGYFNOCUKM-UHFFFAOYSA-N	312.300	1.404	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cc(C)n(CC)c1C	740762688	BZAAMWUIKHKZFX-UHFFFAOYSA-N	306.410	1.880	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc2c(c(OC)c1)O[C@@H](C)C2	921040933	PWECZKMDMSHOPT-VIFPVBQESA-N	307.350	1.373	50	20	DDGD	
C[C@@H]1CN(CCOc2ccc(CCNC(=O)NN)cc2)C[C@@H]1C	841868712	WUDYRRYTJZHWDS-OKILXGFUSA-N	320.437	1.369	50	20	DDGD	
Cn1cc(C=NNC(=O)CNC(=O)c2ccco2)c2ccccc21	755678621	KEDZIUYGVDDUSV-UHFFFAOYSA-N	324.340	1.651	50	20	DDGD	
CCCN1CC[C@H](NC(=O)NNC(=O)c2ccccc2F)C1	852287334	URPCPXOQGCUOLC-NSHDSACASA-N	308.357	1.254	50	20	DDGD	
CC1(C)OCC(NC(=O)NNc2ccc(F)c(F)c2)CO1	921948984	JXGDYVZUOUBCIV-UHFFFAOYSA-N	301.293	1.742	50	20	DDGD	
C[C@H](CC=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1	755663587	BDCLUONIZKSSCA-TZMCWYRMSA-N	323.418	1.652	50	20	DDGD	
CCCn1nccc1C=NNC(=O)[C@H]1COc2ccccc2O1	853261090	DTPIHRZGLCPYHS-OAHLLOKOSA-N	314.345	1.583	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(C#N)c2)C1(C)C	753425878	QMMCDVNYKYECKS-STQMWFEESA-N	316.361	1.316	50	20	DDGD	
CC1(C)CCC[C@H](C=NNC(=O)[C@H]2CCS(=O)(=O)C2)C1	752724040	QQVBXRZZNIWQCO-RYUDHWBXSA-N	300.424	1.740	50	20	DDGD	
CCOC(=O)COCCNC(=O)NNc1cc(F)ccc1F	922695818	IADVCWSRSSKWRL-UHFFFAOYSA-N	317.292	1.171	50	20	DDGD	
Cn1nncc1NNC(=O)CCCOc1ccc(F)cc1F	857271365	KAJDDXFPZZQMJN-UHFFFAOYSA-N	311.292	1.396	50	20	DDGD	
O=CN1CCC[C@H]1C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	854782162	NCSSGDJPZWYYJF-NSHDSACASA-N	312.713	1.312	50	20	DDGD	
C[C@@]1(CNCc2cnc3n2CCOC3)C[C@H]1Br	922273572	WZUQIODQKUTQKW-PWSUYJOCSA-N	300.200	1.676	50	20	DDGD	
C[C@H]1CN(C[C@H](CBr)C2CC2)CCS(=O)(=O)C1	859280029	HTXJZSDMPPUQMU-JQWIXIFHSA-N	324.284	1.774	50	20	DDGD	
CCCCN1CCCC[C@H]1CNC(=O)NNC(=O)c1cn[nH]c1	858206301	JCLMZOMYGLSPKJ-ZDUSSCGKSA-N	322.413	1.008	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(N2CCOCC2)cc1	920833333	LXTTZHHBADQCRL-UHFFFAOYSA-N	320.393	1.193	50	20	DDGD	
C=CCNC(=S)NNC(=O)C[C@H]1CC(=O)Nc2ccccc21	929243601	VYOGSDISRXNZDH-SNVBAGLBSA-N	318.402	1.184	50	20	DDGD	
COCCC1CCN([C@@H](C)C(=O)NNC(=O)CC(C)C)CC1	859400144	DTSSEDZDBVOVKL-ZDUSSCGKSA-N	313.442	1.317	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)CSCc1cccnc1)C1CC1	855102292	JEINFAQSQKOJCY-SNVBAGLBSA-N	324.475	1.609	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H](C(=O)NNC(=O)OCC(F)(F)F)C1(C)C	856022693	LEZKTQPLCITVBI-YUMQZZPRSA-N	324.299	1.948	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NN=Cc1cscn1	853371054	HYNFXMXRLULTOM-VXGBXAGGSA-N	319.390	1.495	50	20	DDGD	
C[C@@H](COCC1CCCCC1)NC(=O)NNC(=O)c1ccc[nH]1	925726659	VRLDYAGNSOYCSO-LBPRGKRZSA-N	322.409	1.944	50	20	DDGD	
CN(NC(=O)c1ccc2c(N)ncnc2c1)C(=O)OC(C)(C)C	854918717	GOEWTUJEQMCZHP-UHFFFAOYSA-N	317.349	1.724	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cnn(-c2ccccc2)c1C	921040908	OCDVXUSNOAURAQ-UHFFFAOYSA-N	301.350	1.535	50	20	DDGD	
Cc1nc(CCCC(=O)NNC(=O)c2cccc(F)n2)cs1	856423349	RZFKNFOFSUEQNS-UHFFFAOYSA-N	322.365	1.770	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1cccs1	853388930	WWGINMLFLIWXMJ-YPMHNXCESA-N	307.419	1.842	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1cnn(-c2ccccn2)c1	756707803	WCEUOLCACRJICT-UHFFFAOYSA-N	314.349	1.610	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCCO[C@H]1CCCCO1	854552577	VNFQNHYFGYLCRX-UKYUDJEDSA-N	316.357	1.959	50	20	DDGD	
Cc1csc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)n1	755570240	WMUMXSWQPOOIRH-UHFFFAOYSA-N	313.346	1.191	50	20	DDGD	
NC(=O)c1ccc(CC(=O)NNc2nc3ccccc3[nH]2)cc1	754280192	HMYPLNFOVVZFKM-UHFFFAOYSA-N	309.329	1.348	50	20	DDGD	
C[C@H](NNC(=O)c1cccc(C2OCCO2)c1)C(F)(F)F	862314652	GDYMABQEMPQVCG-QMMMGPOBSA-N	304.268	1.917	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)N2CCOCC2)cc1Cl	931114074	LRDKERPQRVADGZ-UHFFFAOYSA-N	311.769	1.264	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1ccc(Cl)c2occc12	931114563	SXGAXESMOBEKDG-UHFFFAOYSA-N	323.736	1.773	50	20	DDGD	
Cc1noc(C)c1[C@H](C)C(=O)NNC(=S)Nc1ccccn1	768581594	SSJSWBHPRHOVLI-QMMMGPOBSA-N	319.390	1.808	50	20	DDGD	
COc1cc(O)c(C=NNC(=O)CC(F)(F)F)cc1OC	768359657	GLXOSKZRRUFLHQ-UHFFFAOYSA-N	306.240	1.812	50	20	DDGD	
C[C@]1(C(=O)NCC(Cl)Cl)Oc2ccccc2NC1=O	868327829	PGZOUDPNCUJWRK-GFCCVEGCSA-N	303.145	1.696	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ccc(F)c(Cl)c2)CC1	863083234	VKPIITNZFGVUAH-UHFFFAOYSA-N	306.746	1.499	50	20	DDGD	
COc1ccc(C(=O)NN=CC2(OC)CCOCC2)cc1OC	761742881	IMPSJKOBVUGHOS-UHFFFAOYSA-N	322.361	1.615	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C[C@H](C)c2cccc(F)c2)n[nH]1	869013453	ARAMNIUFFDSPFY-JTQLQIEISA-N	318.352	1.741	50	20	DDGD	
CCOC(=O)c1ncc(/C=C(\C#N)C(=O)N2CCCC2)s1	865215625	UPVKKABLMZXGTL-JXMROGBWSA-N	305.359	1.849	50	20	DDGD	
COCCOCC(=O)NNC(=O)[C@@H]1CCSc2ccccc21	869910535	UNXJOSSWTBHJOE-GFCCVEGCSA-N	324.402	1.076	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccn(-c2ccccc2)n1	766714896	ZHRFHBIZHYXVQT-ZDUSSCGKSA-N	316.361	1.374	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNc1nnc(C)c(O)n1	768691282	QZRSMUJNESBIAN-MNOVXSKESA-N	309.370	1.314	50	20	DDGD	
CNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](Br)C(C)(C)C	766747007	TZVHDWWSDVQRNU-NKWVEPMBSA-N	323.187	1.183	50	20	DDGD	
Cc1nnnn1/C(=C/c1ccccc1)C(=O)N1CC=C(C#N)CC1	760004022	SDOABOIOHXMTKM-LFIBNONCSA-N	320.356	1.662	50	20	DDGD	
O=C(NC1CC1)c1cc(F)c(NNC(=O)c2cnc[nH]2)c(F)c1	764335685	YTGSDKOYHUGQHC-UHFFFAOYSA-N	321.287	1.337	50	20	DDGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)[C@@H](C)N(C)C)c1C	878858187	XQRWEGSRADXRCO-GFCCVEGCSA-N	314.393	1.549	50	20	DDGD	
O=C(NNC(=O)[C@]1(F)CCOC1)c1ccc2ccccc2c1	1117705061	LUMGAFSWBJJMRN-INIZCTEOSA-N	302.305	1.729	50	20	DDGD	
CO[C@H](C)CC(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	772956239	WIJZNHKHXJEZAY-ZJUUUORDSA-N	314.769	1.680	50	20	DDGD	
C[S@@](=O)c1cccc(C(=O)NNC(=O)c2ccccc2)c1	770202084	JSRQVKIAOUUEKU-OAQYLSRUSA-N	302.355	1.499	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1c[nH]c2ccc(C)cc12	772257821	SLEKFTSYDHTMTN-SNVBAGLBSA-N	317.345	1.579	50	20	DDGD	
Cc1nccc(NC(=O)NNC(=O)Cc2c[nH]c3ccccc23)n1	776497550	OQKHLTHITHYUOL-UHFFFAOYSA-N	324.344	1.662	50	20	DDGD	
COc1ccc(OC)c(NC(=O)NNC(=O)C2CCOCC2)c1	877935730	OEEVDDVAKCWKOG-UHFFFAOYSA-N	323.349	1.283	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1	875210267	UIIXEUOLXSNNMF-OLZOCXBDSA-N	307.350	1.819	50	20	DDGD	
C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CC=C(C#N)CC1	779590331	OMJNNMJQWUNBBH-VIFPVBQESA-N	304.375	1.330	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](c1ccccc1)[C@H]1CCCO1	875210266	UIIXEUOLXSNNMF-CHWSQXEVSA-N	307.350	1.819	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C2(COCC)CC2)c1	874952525	XNLNQAYBLXDKEU-UHFFFAOYSA-N	317.414	1.802	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccccc1-n1cccc1	772219776	LOJJVDBUJPXXGP-OAHLLOKOSA-N	313.357	1.807	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)Cn2ccc3ccccc32)CCO1	776320765	FGVCRNCXFAXGFL-JSGCOSHPSA-N	315.373	1.604	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc(N2CCCC2=O)cc1	770333554	PJUSPWJRPAOCQW-UHFFFAOYSA-N	304.350	1.622	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@@H](NC(C)=O)c1cccs1	887140445	FDENLSRJUWNOBZ-GFCCVEGCSA-N	321.402	1.266	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccccc1-c1nc(C)no1	887144738	XWVTWXFVHNTHSL-UHFFFAOYSA-N	312.329	1.610	50	20	DDGD	
C=C(CC)C(=O)NNC(=O)c1nn(CC)c(=O)c2ccccc12	1123573851	BYEJKDZPEDRGFS-UHFFFAOYSA-N	314.345	1.144	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1F)[C@@H]1CC(=O)N(C2CC2)C1	885109939	JOGSZDZXDJEUNP-MRVPVSSYSA-N	311.744	1.933	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)OCCCOC(F)(F)F)cn1	884535889	OECGBIJSAWCLDT-YHYXMXQVSA-N	303.240	1.797	50	20	DDGD	
Cc1nnsc1C(=O)NNC(=O)CSc1ccccc1O	788003365	GSFJNUFLOWACKC-UHFFFAOYSA-N	324.387	1.105	50	20	DDGD	
CO[C@@H]1CCCN(CC(=O)NNC(=O)c2cccc(C)c2)CC1	783011462	FIJNOJSCSKAILF-OAHLLOKOSA-N	319.405	1.257	50	20	DDGD	
O=C(CCn1cc(Cl)cn1)NNc1ncncc1Cl	781820570	UPGWWCZKHIZJKF-UHFFFAOYSA-N	301.137	1.513	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)CCCCN1CCCCC1	880517910	YYDOHLYOHMQHHN-CQSZACIVSA-N	312.458	1.130	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2ccc3ccccc3n2)C1	787232717	GKSCNCIYCMAAJP-CHWSQXEVSA-N	312.373	1.970	50	20	DDGD	
N#CC1=CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1	780684774	JVTNPMSHJCKDKB-UHFFFAOYSA-N	315.285	1.662	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccnc(F)c2)c1C(F)(F)F	781365394	JDEDCMSFITWDRS-UHFFFAOYSA-N	303.219	1.730	50	20	DDGD	
O=C(NN=C1CCCOc2cc(F)ccc21)N1CCOCC1	781587792	ILCHLWVHFWYHMJ-UHFFFAOYSA-N	307.325	1.744	50	20	DDGD	
CCCOc1ccc(CNS(=O)(=O)CCCCl)cn1	881870055	KSYLIHUWFJPZHQ-UHFFFAOYSA-N	306.815	1.919	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc2[nH]c(C)cc2c1	784915821	PKDOKTRAKVSCHA-UHFFFAOYSA-N	317.349	1.107	50	20	DDGD	
COCCOc1ncccc1C(=O)NNc1ccnc(F)c1	781368796	UIVISPPIGRVVRD-UHFFFAOYSA-N	306.297	1.398	50	20	DDGD	
O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)NNc1ccc(F)cc1	780885028	AELVYPLBPHLOBD-JTQLQIEISA-N	306.341	1.463	50	20	DDGD	
O=C(CSCc1cscn1)NNc1ncncc1Cl	781822846	DUXDQOYPCFKTPW-UHFFFAOYSA-N	315.811	1.963	50	20	DDGD	
CCCn1cc(C(=O)NNc2ccccc2C(=O)OC)nn1	780732160	LPFNWTDGUNNWJG-UHFFFAOYSA-N	303.322	1.232	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1c2c(nc3ccccc13)CCC2	787946460	BRMSEFXKDLBKGJ-UHFFFAOYSA-N	313.357	1.255	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(C(=O)OC)c(C)c1	899341644	GERBNMMAKPHZAV-UGMNDJHYSA-N	316.357	1.840	50	20	DDGD	
COc1ccc(OCC(=O)NN=C(C)c2ccnc(O)c2)cc1	790288643	SYDXSBBODXUCNK-UHFFFAOYSA-N	315.329	1.715	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ncccc1Br	793198763	LVWWRGTXNSWWBU-UHFFFAOYSA-N	315.171	1.588	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(C)c(Br)n1	794361395	VMIXRKHTUBYVSP-UHFFFAOYSA-N	301.144	1.715	50	20	DDGD	
COc1cc(CC(=O)NNc2ncc(F)cn2)cc(OC)c1O	790004878	IFZFCHABQLQHSQ-UHFFFAOYSA-N	322.296	1.024	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C1C(=O)OC[C@H]1C	794864373	MRFLSRFWBOGKJZ-SNVBAGLBSA-N	306.318	1.129	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)C(=O)Nc1cncc(F)c1	799261466	FKYPKNUQUBNYFZ-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)nc1	793890085	WOXGIKNMPPEYEU-BFSVRSTQSA-N	311.385	1.927	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21)C(=O)NC1CC1	794622141	WXDXGJCEKXYLJC-RAIGVLPGSA-N	307.394	1.019	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(F)c(Cl)c1F	798304815	LOAHRHGFPFICCZ-UHFFFAOYSA-N	305.737	1.913	50	20	DDGD	
Cc1cccnc1NNC(=O)c1ccc(CS(C)(=O)=O)cc1	791212078	OVPRZYZCALQJNR-UHFFFAOYSA-N	319.386	1.692	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)c1ccc2c(c1)OCO2	792788672	DCKXAGHLPSLLJN-TVQRCGJNSA-N	308.334	1.237	50	20	DDGD	
O=C(COc1ccccc1F)NN=C1CC(=O)N2CCCC[C@@H]12	799468565	JRRKQSAJSUWLKM-ZDUSSCGKSA-N	319.336	1.462	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1ccc2occc2c1	794906032	NHVLLCXBPQBOIL-UHFFFAOYSA-N	311.297	1.906	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)c1ccnc(F)c1	794905993	MUZJAYMQXHELTO-UHFFFAOYSA-N	320.349	1.552	50	20	DDGD	
O=C(C[C@@H]1CCCO1)NNc1cncc(Br)c1	1319631144	OUGNTYHVZBNJSV-JTQLQIEISA-N	300.156	1.856	50	20	DDGD	
COc1ccc(C(F)(F)C(=O)NNC(=S)NC(C)C)cc1	1322999875	VXGJUNYESHPRKL-UHFFFAOYSA-N	317.361	1.691	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1nc(-c2ccccc2)cs1	1326235365	XUDWQMDDWCWLPN-UHFFFAOYSA-N	303.343	1.823	50	20	DDGD	
CC(C)(C)NCC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	1328077358	ZRKRRVVYOFSOQK-UHFFFAOYSA-N	315.377	1.021	50	20	DDGD	
CCn1c(C)cc(C(=O)NNc2nncc(N)c2Cl)c1C	1324009847	YSHHILKBOAPNMG-UHFFFAOYSA-N	308.773	1.907	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H]1CC12CCS(=O)(=O)CC2	1329166410	YWEWLGLYCGWMAH-NSHDSACASA-N	309.391	1.048	50	20	DDGD	
Cc1cc(C)n2nc(C)c(C(=O)NNC(=S)NC(C)C)c2n1	1337614984	ZYGBRUTYWXRWER-UHFFFAOYSA-N	320.422	1.172	50	20	DDGD	
C[C@@]1(COC(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1Br	1344035689	KUDZAYJROKXQQL-KCJUWKMLSA-N	301.140	1.444	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(Cl)nc(Cl)c1)[C@@H]1CCC(=O)N1	1335297368	UBZRQWUANRKRTA-SVRRBLITSA-N	317.176	1.746	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)nn1C	1333418940	KTDGVQDOLDXSKS-UHFFFAOYSA-N	307.741	1.314	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc[nH]2)c(C(F)(F)F)c1	1337797581	AERRRCGKUVIPHR-UHFFFAOYSA-N	300.240	1.447	50	20	DDGD	
N#CCCn1ccc(NC(=O)C(=O)NNc2ccccc2F)n1	1343236950	YKPDDMUYDOKFOT-UHFFFAOYSA-N	316.296	1.018	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1cc[n+]([O-])cc1	1344741842	ZLVQBSXRDQNHQL-UHFFFAOYSA-N	305.265	1.003	50	20	DDGD	
O=C(NC[C@H]1CCCCS1(=O)=O)C1CCC(Cl)CC1	1519872433	YGYSXYVAGXQABO-HTAVTVPLSA-N	307.843	1.868	50	20	DDGD	
Cc1c(NNC(=O)N[C@H](C)C[S@](C)=O)cccc1C(=O)O	1600050189	BIKBSVYOARALKB-ZEDNOMKYSA-N	313.379	1.086	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2(CC(=O)O)CCC2)c(F)c1	1604391563	QYMDXYKUKRJQTH-UHFFFAOYSA-N	324.308	1.700	50	20	DDGD	
Cc1cc(NNC(=O)C23CCC(C(=O)O)(CC2)CC3)nc(C)n1	1607695698	LWOZQIQIGAJRLD-UHFFFAOYSA-N	318.377	1.962	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@H]2CCO[C@H]2C2CC2)c1F	1602448025	KKMKLDWCWNVEMN-MFKMUULPSA-N	308.309	1.782	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1ccc(-c2ccccc2F)o1	1602071975	FWXPGBIVJQTQPF-UHFFFAOYSA-N	305.265	1.803	50	20	DDGD	
Cc1noc(CCCNC(=O)NNc2cccc(C(=O)O)c2)n1	1600812497	HUAZWHIYKIVPRJ-UHFFFAOYSA-N	319.321	1.335	50	20	DDGD	
Cc1c(NNC(=O)NCCc2cnccn2)cccc1C(=O)O	1600053418	DOZPNXBIGIJQSR-UHFFFAOYSA-N	315.333	1.352	50	20	DDGD	
O=C(O)CC1(CC(=O)NNc2nc3ccccn3n2)CCCC1	1601913401	FOKBYQSYZFWWMN-UHFFFAOYSA-N	317.349	1.598	50	20	DDGD	
O=C(NNC(=O)c1sccc1-c1nn[nH]n1)c1ccccc1	1609558673	AVNITNSEOIHDAE-UHFFFAOYSA-N	314.330	1.003	50	20	DDGD	
C[C@H](/C=C/C(=O)O)NS(=O)(=O)c1ccc(CCl)cc1	1604061771	WYAAXPRTNARWAS-WEMAUNJASA-N	303.767	1.733	50	20	DDGD	
COc1ccc(OCC(=O)NNc2ccccc2C(=O)O)cc1	1607281712	CBGICUASYDSFFM-UHFFFAOYSA-N	316.313	1.916	50	20	DDGD	
O=C(/C=C\c1cnccn1)NNc1cccc(F)c1C(=O)O	1601246497	WNQYHMCGAWWAKC-PLNGDYQASA-N	302.265	1.470	50	20	DDGD	
NC(=O)c1ccc(CC(=O)NNc2ccccc2C(=O)O)cc1	1601163630	BTBXAKFGTDUAMW-UHFFFAOYSA-N	313.313	1.170	50	20	DDGD	
O=C(NC[C@H]1C[C@H]1C(=O)O)NNC(=O)c1ccccc1Cl	1608460665	IEIMHMOHCLFQHT-VXNVDRBHSA-N	311.725	1.005	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@H]1CC[C@@H](C(=O)O)C1	1601360359	CMPJSGYGOUUWSE-WDEREUQCSA-N	308.309	1.017	50	20	DDGD	
C[C@]1(C(=O)Nc2ccn(CC(=O)O)n2)C[C@@H]1Br	1604490129	NUEJFNPWKITCGD-WKEGUHRASA-N	302.128	1.080	50	20	DDGD	
O=C(NNc1ccncn1)Nc1ccc(Cl)c(C(=O)O)c1	1608484243	OLCFNAHHDGRLFS-UHFFFAOYSA-N	307.697	1.977	50	20	DDGD	
Cc1occc1C(=O)NCC(=O)NNc1cccc(C(=O)O)c1	1610588255	XPSAYROYNMFSON-UHFFFAOYSA-N	317.301	1.159	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@@H]1C=NNC(=O)c1ncccn1	1552452213	CUABLUCWNLWRCE-YPMHNXCESA-N	314.349	1.094	50	20	DDGD	
CC(=O)N[C@@H]1CCc2nc(NC(=O)C(Cl)Cl)sc2C1	1826096237	MSUMOVXKVNEZRR-ZCFIWIBFSA-N	322.217	1.879	50	20	DDGD	
C[C@@H]1Cc2cc(NC(=O)NNC(=O)C3CCNCC3)ccc2O1	1576866057	GWPJMJNZKRQETR-SNVBAGLBSA-N	318.377	1.162	50	20	DDGD	
C=CCNC(=S)NNC(=O)C[C@H](N)c1ccccc1OCC	1574942585	BXOBSTXLCLVZJR-LBPRGKRZSA-N	322.434	1.157	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccnc(N)c2)cc1F	1578872748	BDSDDNJUOFCWFY-UHFFFAOYSA-N	304.281	1.346	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)C(=O)CC)C1	1845971226	LITGQGCURDHWQP-LLVKDONJSA-N	314.813	1.576	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cccnn2)C1	1844438431	XNOQRUBVTBGPDG-NSHDSACASA-N	322.796	1.311	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C(=O)O)c1ccc(C)c(C)c1	1596862647	NVFRHAWXTPVWLE-SSUFTNFISA-N	302.330	1.989	50	20	DDGD	
COC1(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCCC1	1591337000	YRJOHSCIBKTEMY-UHFFFAOYSA-N	302.338	1.269	50	20	DDGD	
O=C(NCC1SCCS1)NNc1ncccc1C(=O)O	1594761804	JNAIKKRQZLBMSB-UHFFFAOYSA-N	314.392	1.212	50	20	DDGD	
CC[C@](COC)(NCCCI)C(=O)O	1595194495	HIFHMIZMZKXGHM-SECBINFHSA-N	315.151	1.281	50	20	DDGD	
COc1nn(C)cc1NC(=O)NNc1cccc(C(=O)O)c1C	1599739674	OEVMTCDMHGKKIW-UHFFFAOYSA-N	319.321	1.584	50	20	DDGD	
C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](Cl)CC)CCO2	1783917585	LNZCZSCTZKZITR-IUODEOHRSA-N	314.813	1.410	50	20	DDGD	
CN(C)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl	1796806115	SLOLEWLKMYXNKB-LSCVPOLPSA-N	319.808	1.111	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn[nH]c1)[C@@H](F)Cl	1797040082	GAMZJLFSPZHZCX-LMLFDSFASA-N	314.748	1.196	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)c1ccc(Br)cc1	11217469	WYOJSEZBEGBZBT-UHFFFAOYSA-N	321.134	1.314	50	20	DDGD	
O=C(NNC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1ccccc1	12510481	FIHLBKGTHCSYOK-AWEZNQCLSA-N	310.309	1.229	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccccn2)c(C)c1	151731265	QQSSFBGMMRMCQZ-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1cccc([N+](=O)[O-])c1O	152374325	XFIXNRRHCGHJQI-UHFFFAOYSA-N	309.669	1.501	50	20	DDGD	
C=CCNC(=O)COC(=O)/C(C#N)=C/c1ccc(OC)cc1	3529097	MFFNWMSLFNWOTA-UKTHLTGXSA-N	300.314	1.448	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2C)[nH]n1	153356735	GAWDIWXFJMMISH-UHFFFAOYSA-N	303.278	1.010	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cc2ccccc2o1)C1CC1	153378090	IDNFMUOKCXNNCM-UHFFFAOYSA-N	301.346	1.678	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCCc1cccnc1	155638911	GQXPRQXWZBZTTO-UHFFFAOYSA-N	312.373	1.587	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN([C@H](C)c2cccnc2)CC1	159553748	RVMSQBKIVSAFKD-UMWKZLPKSA-N	314.389	1.731	50	20	DDGD	
O=S(=O)(c1ccc(CCl)cc1)N1CCO[C@@H](CF)C1	916291828	KFDKGNNASSOINN-NSHDSACASA-N	307.774	1.784	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)[C@@]1(C)C[C@@H]1Br	906432719	NTFQZXFTYSMENV-UFBFGSQYSA-N	321.215	1.801	50	20	DDGD	
CC1(C2CCN(S(=O)(=O)CCCCl)CC2)OCCO1	881989701	OCXYRWQDILUXMV-UHFFFAOYSA-N	311.831	1.420	50	20	DDGD	
C[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)CCCCl	882126770	GCAMLDSQRZYAMY-VIFPVBQESA-N	314.835	1.448	50	20	DDGD	
CSc1ccccc1C(=O)NNC(=O)Cc1cccnc1	171512090	QJNVEJHFSDJMAJ-UHFFFAOYSA-N	301.371	1.807	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNC(=O)[C@H](CC)c1ccccc1	110342413	DRUHSVUVLBSEBV-UKRRQHHQSA-N	322.405	1.769	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)c1ccc[nH]1)Oc1ccccc1F	173258982	FRQLFZRDPLPMPK-SNVBAGLBSA-N	320.324	1.565	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1ccncc1)n1cnc2ccccc21	175797488	GFBHGSRZTCSYNE-LBPRGKRZSA-N	323.356	1.382	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)CNc1ccccc1OC	66898751	GIDCXDFXMIGLOG-GFCCVEGCSA-N	321.377	1.236	50	20	DDGD	
O=C(NNc1nc2ccccc2c(=O)[nH]1)[C@@H]1Cc2ccccc2O1	176785486	DVYSUDVHYOEXQZ-AWEZNQCLSA-N	322.324	1.370	50	20	DDGD	
CC[C@H](F)C(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1	1353338181	GGDBHGJSXYXNAT-NSHDSACASA-N	312.341	1.992	50	20	DDGD	
C[C@H](COCC(F)(F)F)NC(=O)NNC(=O)c1ccccc1	65483238	XKPKHWNQKXJZTI-SECBINFHSA-N	319.283	1.598	50	20	DDGD	
O=C(NCc1ccco1)NNS(=O)(=O)c1ccc(F)cc1	64939848	PRQPMIGDKOEICJ-UHFFFAOYSA-N	313.310	1.111	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)c1ccc(C#N)cc1)c1ccccc1	117939100	VTAVEQQYVLPVBY-HNNXBMFYSA-N	309.325	1.707	50	20	DDGD	
O=C(CCNc1ccccc1[N+](=O)[O-])NNc1ncccn1	124062861	XPMZNWPATMWZFC-UHFFFAOYSA-N	302.294	1.330	50	20	DDGD	
CC[C@H]1CCCC[C@H]1OCC(=O)NNc1nccc(OC)n1	184766754	KMUKAOCBLGDTLC-NWDGAFQWSA-N	308.382	1.914	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccccc1CN1C[C@H](C)O[C@H](C)C1	181960677	QAVSLNFVYIZWOU-TXEJJXNPSA-N	320.393	1.468	50	20	DDGD	
COc1cc(CN(C)S(=O)(=O)CBr)ccc1O	127202859	STKPZZWCHSEMEC-UHFFFAOYSA-N	324.196	1.515	50	20	DDGD	
Cc1cccc(CC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c1	76710614	MUUWZRYBMKOHQC-AWEZNQCLSA-N	310.419	1.030	50	20	DDGD	
CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)CBr)C1	374656048	ADNIPIZBJDYHTN-VHSXEESVSA-N	311.245	1.085	50	20	DDGD	
COc1cccc(NNC(=O)Cc2ccc(OCC#N)cc2)n1	180704794	YHMCOMMODFBILU-UHFFFAOYSA-N	312.329	1.678	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2cc1O)Nc1ccon1	183575138	FVXLDWASRGISRB-UHFFFAOYSA-N	312.285	2.000	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccc(F)cc1Cl	46914893	SIJXRPBEEOCIIO-UHFFFAOYSA-N	313.638	1.985	50	20	DDGD	
CC(=O)C[C@@H]1COCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	194851707	GOUMYNTVIQGFPD-KQGZCTBQSA-N	314.341	1.506	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)[C@@H](CO)C(C)(C)C)cc1	134368519	VWAWUKVDAOIGEL-AWEZNQCLSA-N	321.421	1.095	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCOc3ccccc32)o1	84380720	RWXNVKLHZXQWFP-LBPRGKRZSA-N	300.314	1.915	50	20	DDGD	
N#Cc1cccc(C(=O)NNc2nc3ccccc3c(=O)[nH]2)c1	137188404	DEZVSTNWMWHXAE-UHFFFAOYSA-N	305.297	1.552	50	20	DDGD	
CC(C)n1cc(C(=O)NNC(=O)CNc2ccccc2)cn1	190452734	JGADRISVVSNDDG-UHFFFAOYSA-N	301.350	1.337	50	20	DDGD	
O=C(O)CCCNS(=O)(=O)c1ccc(CCCl)cc1	40446552	MXSBTULGDQUNCL-UHFFFAOYSA-N	305.783	1.611	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ncoc1-c1ccc(F)cc1	192932994	FUKGUSLSXITSHB-UHFFFAOYSA-N	307.281	1.013	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2cccc(C#N)c2)n1	193943501	DVGBVWARSDZXFW-UHFFFAOYSA-N	312.333	1.225	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cccnc1SC(F)F	264673847	HLGKPDDGCIZPQV-UHFFFAOYSA-N	301.318	1.957	50	20	DDGD	
CC[C@H]1CCC[C@H]1NC(=O)NNC(=O)COc1ccccc1O	268267606	SRGJSDQRAVRLNL-NWDGAFQWSA-N	321.377	1.680	50	20	DDGD	
Cc1nc(CCCC(=O)NNc2nccn(C)c2=O)cs1	267515046	KBJQNIRMMBNTIU-UHFFFAOYSA-N	307.379	1.011	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccccc1F)C1CCOCC1	268536738	JNINOMLERAHSKN-JTQLQIEISA-N	309.341	1.585	50	20	DDGD	
Cc1cc(F)c(S(=O)(=O)NNC(=O)C2CCC2)cc1F	268536576	BVTMELDOOYPOEZ-UHFFFAOYSA-N	304.318	1.383	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cccnc1N1CCOCC1	264223666	KQUBTJNQAAIXDQ-UHFFFAOYSA-N	320.393	1.115	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@H](C)Oc1ccc(F)cc1	266565010	NJMROECSGQKCHD-NSHDSACASA-N	311.357	1.970	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(N2CCCC2=O)c(F)c1	264736158	CWEBCBUPXXQNFQ-UHFFFAOYSA-N	310.285	1.345	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2CCCc3nn(C)cc32)n1	367006157	YYADRKVSFZGRNG-LLVKDONJSA-N	313.361	1.005	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)[C@@H]1OC[C@@H]2CCC[C@@H]21	368110822	VMGPJAGMCIUIOW-JBLDHEPKSA-N	306.391	1.214	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCCCc2ccccc2F)cn1	279943073	YWTJAFMAPDIVMY-UHFFFAOYSA-N	319.340	1.136	50	20	DDGD	
COc1ccc(C(=O)NNc2ncnc3nc[nH]c23)cc1C1CC1	277652351	DAEJWNPQVYZKGJ-UHFFFAOYSA-N	324.344	1.996	50	20	DDGD	
CCCC(=O)N1CSC[C@H]1C(=O)NNc1cccc(OC)n1	272494785	FTKJLQQZHNDHOD-JTQLQIEISA-N	324.406	1.235	50	20	DDGD	
C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1CC=C(C#N)CC1	272568159	CRSVYVXCFCEFGE-ZDUSSCGKSA-N	312.373	1.557	50	20	DDGD	
COc1ccccc1NC(=O)C(=O)NNC(=O)CC(C)(C)C	274042563	GKIDFWCKRCXWTD-UHFFFAOYSA-N	307.350	1.217	50	20	DDGD	
CCCOc1c(Cl)cc(C(=O)NN(C)C(N)=O)cc1OC	271280558	KPQHLIZYFPRABC-UHFFFAOYSA-N	315.757	1.793	50	20	DDGD	
Cc1ccc(NC(=O)CS[C@H](C)C(=O)NN(C)C(N)=O)cc1	272216140	SJYYETUVZIHYPN-SNVBAGLBSA-N	324.406	1.097	50	20	DDGD	
CN1C[C@H](C(=O)NNc2cccc(F)n2)c2ccccc2C1=O	376195877	DOOIITATGFZLNK-LBPRGKRZSA-N	314.320	1.533	50	20	DDGD	
O=C(NNc1ncccc1F)N[C@H]1CCN(c2ccccn2)C1	286675694	JYXKAZFGVGWUKG-NSHDSACASA-N	316.340	1.521	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNC(=O)CCc1ccc(OC)cc1	289848872	CCTFNMAKYDWDRH-MRXNPFEDSA-N	306.362	1.102	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CCC(=O)c2cnn(C)c2)c1	281094870	GEXXOACSKJRZJZ-UHFFFAOYSA-N	320.324	1.674	50	20	DDGD	
CCOCCC1(CNC(=O)NNC(=O)c2cccc(C)n2)CC1	280214242	ILVHXWWYSRTNTK-UHFFFAOYSA-N	320.393	1.541	50	20	DDGD	
CCc1cc(Br)ccc1NNC(=O)c1cnn(C)n1	286088947	NSCJEKAZNFGCKC-UHFFFAOYSA-N	324.182	1.897	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(OC)c(C)cc1C	280910643	CNXOVMAXWDYNLK-SECBINFHSA-N	321.377	1.444	50	20	DDGD	
O=C(NCc1cc(C2CC2)ccc1F)NNC(=O)[C@@H]1CCCO1	297687391	QFSCTCYEWXRDDP-AWEZNQCLSA-N	321.352	1.713	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H]1CCN(C)C(=O)C1	805375816	BJAMVTSGLFAZFJ-JTQLQIEISA-N	306.322	1.215	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1ccnc(N2CCCCC2)n1	804765828	YKUBCYILZBYMAV-UHFFFAOYSA-N	316.340	1.758	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccc(Cl)cc1)[C@H]1CCCCO1	295831274	ZESRDOLQXFIYLD-VXGBXAGGSA-N	312.753	1.090	50	20	DDGD	
CC[C@H](COCC(F)(F)F)NC(=O)NNC(=O)c1ccc[nH]1	297507639	GQIMVUPDTUJGKG-MRVPVSSYSA-N	322.287	1.316	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H](C)NC(=O)C(C)(C)C	298144916	OSRPFVGOHUWMCN-LLVKDONJSA-N	305.378	1.307	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H](O)c1ccc(Cl)cc1F	291570665	SWCQBERQTIDNFQ-JTQLQIEISA-N	303.721	1.251	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1coc(C2CCOCC2)n1	801611502	BJOIKIYLNKHSNG-UHFFFAOYSA-N	321.377	1.910	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNc1nccnc1Cl	806864743	HLDJPSLWKNHSTB-UHFFFAOYSA-N	300.746	1.553	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)CC2CC2)[nH]c(C)c1C(=O)OC	294157122	MTPBPOSHKBZFLX-UHFFFAOYSA-N	321.377	1.623	50	20	DDGD	
CN1CCCC[C@@H]1C(=O)NNc1ccc2c(=O)[nH]ccc2c1	803430129	WNOVRGBONJPMDK-CQSZACIVSA-N	300.362	1.456	50	20	DDGD	
Cc1cc(Cl)cnc1NC(=O)C(=O)NNC(=O)CC(C)C	291756347	MYECGWNIDPQPAF-UHFFFAOYSA-N	312.757	1.175	50	20	DDGD	
C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NNc1nnc[nH]1	298533869	VVDLDXFZMUULJH-SSDOTTSWSA-N	315.255	1.734	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc(C(F)(F)F)cn1	295343797	IDDWLAUSINSZEA-SNVBAGLBSA-N	317.267	1.431	50	20	DDGD	
CC(C)Cc1nc(C(=O)NNC(=O)[C@H]2CCCCO2)cs1	295604970	QEALRKJYKMJWAH-LLVKDONJSA-N	311.407	1.672	50	20	DDGD	
CSCC[C@H](O)C(=O)NNc1cc(C(F)(F)F)ccn1	295796497	ZPIWCWDAJGJIKD-QMMMGPOBSA-N	309.313	1.658	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)Nc1ccc2c(c1)C(=O)OC2	808896090	XEVZSCAWYUBACH-UHFFFAOYSA-N	319.708	1.949	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCN1CCN2C(=O)NC(=O)[C@H]2C1	808741317	DDHJMQNUNRFSIO-LLVKDONJSA-N	313.474	1.244	50	20	DDGD	
Cc1nnsc1C=NNC(=O)[C@H]1COc2ccccc2O1	814214294	ZZVJRWZVVVQOMW-LLVKDONJSA-N	304.331	1.137	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)COc1ccc(C)c(C)c1	812444472	AKAHGNANLUTGED-ZIAGYGMSSA-N	322.405	1.748	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H]2CCCN(C(C)=O)C2)cc1	817885996	RXKYEPABMJFMBF-CYBMUJFWSA-N	305.378	1.787	50	20	DDGD	
Cn1cc(Br)c(C(=O)NNc2ccnc(F)c2)n1	816028040	UQSJHKZMECKSSH-UHFFFAOYSA-N	314.118	1.474	50	20	DDGD	
O=C(NNc1ccccc1F)c1cn(C2CCOCC2)nn1	810680591	UOQSIYGISMMTBM-UHFFFAOYSA-N	305.313	1.526	50	20	DDGD	
N#CSCCCNC(=O)c1ccc(N2CCOCC2)c(F)c1	816538871	KEQZYYKWUCEROW-UHFFFAOYSA-N	323.393	1.996	50	20	DDGD	
COC1([C@@H](C)NC(=O)NCCSSC)CCOCC1	817166946	DEGJDAJZCWYCIK-SNVBAGLBSA-N	308.469	1.881	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C[C@H](C)n2cccn2)cc1	819010059	YPRBSKZWTVTGHI-LBPRGKRZSA-N	300.362	1.858	50	20	DDGD	
Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NN(C)C1CC1	819647282	KWZIWWKHDIFUBR-AWEZNQCLSA-N	318.356	1.030	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2snnc2C)cc1C	814214014	ZCMSYRHLPREYDK-UHFFFAOYSA-N	304.375	1.992	50	20	DDGD	
Cc1cnn([C@H]2CCN([C@H](C)C(=O)NNC(=O)CC(C)C)C2)c1	810120997	IJXWTMZMNUKJQI-KGLIPLIRSA-N	321.425	1.020	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@H]2CCC[C@@H](OC)C2)c1O	814406688	HDKLNJACYQJFJK-WDEREUQCSA-N	322.361	1.367	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1ccc([S@](C)=O)cc1	814956432	XJPRPBMYXNJGJR-NRFANRHFSA-N	304.375	1.230	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CCN1CCCC1=O	727713002	VDNBEEIUCPKQSJ-UHFFFAOYSA-N	308.290	1.521	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12	497250119	HAMCKFMVEYBUJD-OUAUKWLOSA-N	311.382	1.095	50	20	DDGD	
C=CCN(CCOC)C(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	491104348	NTYBWONZYQXDDO-DHDCSXOGSA-N	312.373	1.773	50	20	DDGD	
C[C@@H](c1cccc(C#N)c1)N(C)CC(=O)NNC(=O)C1CC1	823616576	AIGLPMPQNXRLSS-NSHDSACASA-N	300.362	1.108	50	20	DDGD	
CC(=NNC(=O)c1cccn1C)c1ccc(S(C)(=O)=O)cc1	725848085	UPXQRSCFDBQNEJ-UHFFFAOYSA-N	319.386	1.583	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2ccc3c(=O)[nH]ccc3c2)CO1	828439344	GNTVBFUXSFMHLJ-JOYOIKCWSA-N	302.334	1.332	50	20	DDGD	
CC[C@H](C)OCC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	825075506	OQWJEWNDHPJANZ-QMMMGPOBSA-N	323.357	1.236	50	20	DDGD	
CCCCC[C@@H](O)C(=O)NNC(=O)c1ccc(OC)cc1OC	823147780	DGIJGRPDWKWOCR-CYBMUJFWSA-N	324.377	1.406	50	20	DDGD	
Cc1noc([C@H](C)NC(=O)NNC(=O)CCc2ccccc2)n1	726279024	MBGHTUCCXOWGLP-JTQLQIEISA-N	317.349	1.402	50	20	DDGD	
CC(C)(C)OC(=O)NNS(=O)(=O)c1ccc(C#N)cc1F	495362359	OANPUQNVJPONND-UHFFFAOYSA-N	315.326	1.415	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H]2CCCCN(C)C2=O)cc1	823169284	PAEKVFUZLFWOTF-AWEZNQCLSA-N	305.378	1.787	50	20	DDGD	
CCC[C@@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)C(C)C	494740990	BEJJINVGMDCSIC-LLVKDONJSA-N	315.414	1.731	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(C)ccc1Br	823865019	GKCHOAIZKFAKOI-UHFFFAOYSA-N	301.184	1.717	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)/C=C/c1ccc[nH]1	492030652	JSXOJPJPGZQBGW-OALRPVAKSA-N	317.320	1.782	50	20	DDGD	
CCN(CC(=O)NNC(=O)C(C)C)[C@@H](C)c1cccc(O)c1	827998668	AMFPOXITGULDSS-LBPRGKRZSA-N	307.394	1.579	50	20	DDGD	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](B(O)O)C1	585075539	SBIVCBCTESIRAG-ZJUUUORDSA-N	324.167	1.151	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)c1	907817417	MUFDMQVYLDECQQ-FPMFFAJLSA-N	316.361	1.448	50	20	DDGD	
Cc1ncc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c(C)n1	826329548	IATCQDATGDMEJS-UHFFFAOYSA-N	310.321	1.030	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cnc2cc[nH]c2c1	901292625	VWDRDLPMFSSFSK-UHFFFAOYSA-N	309.420	1.035	50	20	DDGD	
O=C(CC1CC(F)(F)C1)NNC(=O)Cn1cnc2ccccc21	823659759	RHUDPBJGJSCWGP-UHFFFAOYSA-N	322.315	1.619	50	20	DDGD	
C=CCC[C@@H](CO)NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	491127088	AGXUODSYRPXUSS-LULHVWEPSA-N	312.373	1.555	50	20	DDGD	
COc1ncc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)cn1	738146250	QNAMZBAZOOQPRA-UHFFFAOYSA-N	319.229	1.311	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2ccccc2F)cc1F	731328778	XGKFYGIRLODZIS-UHFFFAOYSA-N	320.295	1.977	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cccc2cc[nH]c12	831694540	MCDUEUPLFYERKO-KOLCDFICSA-N	302.334	1.746	50	20	DDGD	
CC(=O)N[C@H](CC1CCC1)C(=O)NN(C)C(=O)OC(C)(C)C	496640578	HEJGQNFJKRCFKQ-GFCCVEGCSA-N	313.398	1.579	50	20	DDGD	
CNC(=O)NN=C(C)c1ccc(S(=O)(=O)C(F)F)cc1	735229549	IORCVQWQUPHOMC-UHFFFAOYSA-N	305.306	1.336	50	20	DDGD	
C[C@@H](C[C@H]1CCCO1)c1nc(-c2cccc(B(O)O)c2)no1	585052642	SQXAJJUIQLDPAA-GXFFZTMASA-N	302.139	1.089	50	20	DDGD	
CC(=O)N(Cc1ccc(NC(=O)NNC(=O)O)cc1)C1CC1	736130482	LDJRQPAYCRJNJD-UHFFFAOYSA-N	306.322	1.502	50	20	DDGD	
O=S(=O)(CCl)NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1	831196302	UVUOSBUPJWRXLA-JGVFFNPUSA-N	309.737	1.586	50	20	DDGD	
CCCC(O)(CCC)CC(=O)NNC(=O)[C@@H]1CCCCO1	833247017	WZXLWFCMCKTEBQ-LBPRGKRZSA-N	300.399	1.424	50	20	DDGD	
COc1cc2c(cc1F)C(=NNC(=O)C1CCCC1)C(=O)N2	834939874	VJVRTGGOQQYJJL-UHFFFAOYSA-N	305.309	1.797	50	20	DDGD	
COCc1nn(C)cc1C(=O)OC[C@H](C)CBr	838161757	CWIODOQGKFOPDQ-MRVPVSSYSA-N	305.172	1.754	50	20	DDGD	
O=C(N[C@H](c1cccs1)C1CC1)c1ccc(B(O)O)c(F)c1	584929319	QWJARWNEIJUMDV-AWEZNQCLSA-N	319.166	1.448	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H](C2CCCCC2)C1	585009546	XJXGHJKFAVWVGN-MRXNPFEDSA-N	315.222	1.799	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)CCNC(=O)O	737266876	KNXPTRWKWFCGAY-UHFFFAOYSA-N	324.406	1.533	50	20	DDGD	
C[C@@]1(C(=O)NC2CCN(C3CC3)CC2)C[C@@H]1Br	905633613	MTGHZQFSMDKMHY-WCQYABFASA-N	301.228	1.903	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C1CCCc2oc(C(=O)O)c(C)c21	735411555	JDAXENZJZAGISH-UHFFFAOYSA-N	316.317	1.788	50	20	DDGD	
N#CCOc1ccccc1C(=O)NNC(=O)CC(F)(F)F	919817061	OSASAZVNHHABAB-UHFFFAOYSA-N	301.224	1.302	50	20	DDGD	
CCc1c(C(=O)NNc2ccc(C(=O)OC)cc2F)cnn1C	837209548	OISNMZGAIBYWDC-UHFFFAOYSA-N	320.324	1.665	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1csc(-c2ccc(F)cc2)n1	910180464	VPSOAEXNGJEGHJ-VIFPVBQESA-N	309.366	1.907	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)C(F)F	836509584	UEIQKOFPBCIKEU-SNVBAGLBSA-N	303.284	1.742	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCC(C)(C)C#N)c(F)c1	838541636	FRSCJBNIPWWCQX-UHFFFAOYSA-N	308.313	1.788	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N[C@H]1CCSC1	743507936	KEXBTGVNTQDFAX-JTQLQIEISA-N	319.390	1.092	50	20	DDGD	
O=C(CCCOc1cccnc1)NNC(=O)c1cccnc1	742465850	VCJGEIGWHJIVJL-UHFFFAOYSA-N	300.318	1.097	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=C2C(=O)N(C)c3ccccc32)c1	916280594	GYDQBHYVYFHWGA-UHFFFAOYSA-N	322.368	1.863	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1=Cc2ccccc2OC1	843644975	PXAWFECQJIUTQO-GXFFZTMASA-N	302.330	1.035	50	20	DDGD	
O=C(CN1C(=O)CCOc2ccccc21)NNc1ccccc1	747356277	IFAIHJQIRWHNEB-UHFFFAOYSA-N	311.341	1.945	50	20	DDGD	
CN(C)CC(=O)NNC(=O)CCCc1ccc2c(c1)CCCC2	846633183	ISRUTWCNSONDAX-UHFFFAOYSA-N	317.433	1.597	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2c(C)nn3cccnc23)n1	747979325	BBMUELROGZRKKJ-UHFFFAOYSA-N	317.740	1.546	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1ccc(C(=O)O)cc1Cl	842559418	CDSFWRUTMHMQGN-KCJUWKMLSA-N	310.737	1.913	50	20	DDGD	
Cc1nc(C)c(CCC(=O)NNc2cccc(C#N)c2)c(O)n1	748049881	LBBVIACKGYHGBW-UHFFFAOYSA-N	311.345	1.747	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2ncncc2C1)NC1CCCCC1	843752304	OTTHUKQRRWIPLP-NSHDSACASA-N	317.393	1.245	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC[C@@H]2CCNC2)c1F	841936139	PMWMWVJCYKQGAF-JTQLQIEISA-N	324.356	1.238	50	20	DDGD	
Cc1ccc2[nH]c(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)cc2c1	843975904	UPVILZWDEZLLIL-JQWIXIFHSA-N	301.346	1.662	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNc1ccc(CC(=O)OC)cc1	846377949	QBSPNJMNXWCIMT-UHFFFAOYSA-N	316.361	1.455	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@H](OC2CCC2)C1)C1CCCC1	848658862	ANBGPWJITRTDLS-AWEZNQCLSA-N	309.410	1.951	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=S)Nc1ccc(Cl)nc1	747671926	KMZJMOAQHPSYEK-UHFFFAOYSA-N	321.793	1.690	50	20	DDGD	
Cc1ccc(CC(=NNC(=O)C(=O)NC2CC2)C(C)C)cc1	741462250	MOPXCCAASFBOEX-UHFFFAOYSA-N	301.390	1.944	50	20	DDGD	
CC1CCN(C[C@@H](C)C(=O)NN=Cc2cccc(C#N)n2)CC1	841614922	TWOJXOFTOAPEQO-CQSZACIVSA-N	313.405	1.771	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1ccc2c(c1)CNCC2	841304184	OAYWYNFCLCPSJL-UHFFFAOYSA-N	302.378	1.675	50	20	DDGD	
CSSCCNS(=O)(=O)c1cccc(CC(=O)O)c1	844889020	LRSXKHVGTZGXPV-UHFFFAOYSA-N	321.445	1.603	50	20	DDGD	
C[C@H]1CC(=NNC(=O)Cn2cnc3ccccc32)c2ncnn21	841608514	BYQQSZNWPHSBFD-JTQLQIEISA-N	309.333	1.113	50	20	DDGD	
CC[C@H](C(=O)Nc1cccc(NC(=O)NN(C)C)c1)N(C)C	843871059	VHYMGRGCPNRQJZ-CYBMUJFWSA-N	307.398	1.563	50	20	DDGD	
C[C@@H](CCCCN)NC(=O)NNC(=O)c1cc2c(s1)CCC2	841993458	DLVDXXITISSTKC-JTQLQIEISA-N	324.450	1.698	50	20	DDGD	
C=C(CBr)CN1CCC[C@H](N2CCOCC2)C1	846932843	CYFSZDBRUCWCQA-ZDUSSCGKSA-N	303.244	1.734	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)Nc1ccccc1)c1cnn(C)c1	840444736	JUIQRHQGHXFOFW-NSHDSACASA-N	301.350	1.767	50	20	DDGD	
COc1ccc(C(=O)NNc2cccc([N+](=O)[O-])c2C)nn1	748683165	RKMXCQFYIMIAMX-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
O=C(CCCOc1cccnc1)NNC(=O)NCc1ccco1	742585344	HDLRGEMDDPKZSU-UHFFFAOYSA-N	318.333	1.364	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)C[C@H](OC)C1CCCCC1	849386672	KJEACPKRKADKJG-LBPRGKRZSA-N	321.443	1.077	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(N)c([N+](=O)[O-])c2)n1	746622754	GJTFYIILPORWRF-UHFFFAOYSA-N	318.293	1.041	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1cc(C(F)(F)F)ccc1F	847609267	JISDLCVQFWRVKR-HTQZYQBOSA-N	319.258	1.799	50	20	DDGD	
COC[C@@H](CNC(=O)NNc1cc(Cl)ccc1C)OC	921875512	JWGBVECCKQMNIV-LLVKDONJSA-N	301.774	1.936	50	20	DDGD	
C[C@H](CCCCN)NC(=O)NNC(=O)Cc1ccc(F)cc1	841996905	VEIHBRKUDDMOLU-LLVKDONJSA-N	310.373	1.216	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1cnc(C2CC2)nc1	841614634	NGQWBCSHVUXGNC-CYBMUJFWSA-N	315.421	1.926	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)NC)cnn1-c1ccccc1	751460536	MQAXBARYWYHDMN-UHFFFAOYSA-N	301.350	1.399	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NC[C@@H](C)C1CC1	920054716	UIXBSLPWUHIDRA-MNOVXSKESA-N	323.368	1.970	50	20	DDGD	
CNS(=O)(=O)c1cccc(C(C)=NNC(=O)NCC2CC2)c1	920828326	DELBDNIVZOOZDX-UHFFFAOYSA-N	324.406	1.028	50	20	DDGD	
CCN1CCC[C@H](NC(=O)NNC(=O)c2cc(C)cs2)C1=O	925983160	CKYKBMUUTDKVMP-JTQLQIEISA-N	324.406	1.011	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccccn2)c(=O)oc2ccccc12	750604685	MKKQQOVDRDIXGL-UHFFFAOYSA-N	323.308	1.571	50	20	DDGD	
Cc1cc(C#N)cnc1C(=O)NNC(=S)NCC1CCC1	855087130	FSLOWEVRQADWOE-UHFFFAOYSA-N	303.391	1.171	50	20	DDGD	
COc1ncc(C(=O)NC[C@]2(C)C[C@H]2Br)cn1	857399486	WIXMSGIKJWTNQX-KCJUWKMLSA-N	300.156	1.389	50	20	DDGD	
CN(Cc1nccn1C(F)F)C(=O)NNC(=O)C1CCCC1	753354003	CXWSYUQSULCCMK-UHFFFAOYSA-N	315.324	1.641	50	20	DDGD	
CO[C@@H](C)CNC(=O)NNC(=O)NCc1ccc(Cl)cc1	852530573	KAGZLOKYUDVUSK-VIFPVBQESA-N	314.773	1.388	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855834749	YCJDWPCGTUQHDC-UHFFFAOYSA-N	322.409	1.281	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NC[C@]1(C)C[C@@H]1Br	857395355	SAGVNCNYALBUTQ-UFBFGSQYSA-N	306.200	1.865	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cccc(Cl)c1O	753167306	XVXOSKLGZWMREI-UHFFFAOYSA-N	311.769	1.801	50	20	DDGD	
COCCN(CC(=O)OC)C[C@@H](CBr)C1CC1	859140734	UPNCKXCUOBNDES-LLVKDONJSA-N	308.216	1.529	50	20	DDGD	
C[C@@H](C[S@@](C)=O)NC(=O)NNc1c(F)cc(F)cc1F	921925036	OSLLLCPCQZCNGF-SXPOAWKSSA-N	309.313	1.497	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1ccccc1)CC1(C)OCCO1	758855284	DXGMXXVYDZWMHG-GFCCVEGCSA-N	321.377	1.420	50	20	DDGD	
CC[C@@H]1COCC1=NNC(=O)Cn1c(C)nc2ccccc21	853268717	KARNWCDOQIXILJ-GFCCVEGCSA-N	300.362	1.873	50	20	DDGD	
Cc1cc(NNC(=O)CC[C@H]2NC(=O)NC2=O)ccc1Cl	928342016	OGCLDYPPVBPBDX-SNVBAGLBSA-N	310.741	1.080	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1	858572145	OQEADUQSLMAFBO-ZRUFSTJUSA-N	319.352	1.375	50	20	DDGD	
CC(C)C(=O)NC1CCN(C(=O)NNC(=O)C2CCCC2)CC1	753338877	GRORTLACLTUVBO-UHFFFAOYSA-N	324.425	1.154	50	20	DDGD	
C[C@]1(CNC(=O)c2ccc(C(N)=O)o2)C[C@@H]1Br	857395402	XOVGVFTXKJMXPJ-GZMMTYOYSA-N	301.140	1.282	50	20	DDGD	
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	852467108	FKMUVINDKAQKPJ-JTQLQIEISA-N	323.372	1.038	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2c[nH]nc2C)c1C	853406078	OIJDVRSUUAUIQP-UHFFFAOYSA-N	317.349	1.639	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2cccc(F)n2)[C@@H]2CCCC[C@@H]2N1	854443086	NAXCKQXSMIPPQR-DCAQKATOSA-N	306.341	1.359	50	20	DDGD	
CCCOc1ccc(OCC(=O)NNC(=O)c2cc[nH]n2)cc1	855361322	AJMNXHGAPANKDC-UHFFFAOYSA-N	318.333	1.039	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c(C(F)(F)F)c1)OCC(F)(F)F	856019119	PZHDIZVUSRXULC-UHFFFAOYSA-N	319.161	1.967	50	20	DDGD	
CCOCCCNC(=O)NNc1cccc(C(=O)OC)c1C	853223530	KXVAFPUOZVLUJG-UHFFFAOYSA-N	309.366	1.834	50	20	DDGD	
CN(NC(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1)C1CC1	854983729	RENZBXPLRWZFKB-UHFFFAOYSA-N	322.308	1.719	50	20	DDGD	
CC(C)OCCNC(=O)NN=c1sc2ccccc2n1C	754296186	MOEPRCRPBAOGSL-UHFFFAOYSA-N	308.407	1.780	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1ccccc1C(C)C	866038155	JSJFPPLATAMKPV-UHFFFAOYSA-N	309.366	1.626	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H]1CCOC2(CCOCC2)C1	769201280	SBNLBGRXDFFTID-LBPRGKRZSA-N	313.398	1.091	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H]1CCN1C1CCCC1	862465686	CHHKWAFJYYUXCT-HNNXBMFYSA-N	301.390	1.773	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)Nc2ccc(C3CCC3)cc2)N1	861026871	PNAKJIPYOWRBEP-ZDUSSCGKSA-N	316.361	1.385	50	20	DDGD	
C[C@H](NNC(=O)CCOCC(F)(F)C(F)F)C(F)(F)F	862316987	HUCPEXGKAXHKSJ-YFKPBYRVSA-N	314.201	1.865	50	20	DDGD	
CCc1ccc(C(C)(C)C(=O)NNC(=O)COCCOC)cc1	869909602	CSOOACRWRVTLTA-UHFFFAOYSA-N	322.405	1.337	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1c(Cl)cc(C#N)cc1Cl	768244247	JSJMLJGYGPIOHX-UHFFFAOYSA-N	316.144	1.397	50	20	DDGD	
CCOc1nccc(C)c1C(=O)NNc1cc(Cl)nc(N)n1	765493110	JOZJMFXPBIJWDF-UHFFFAOYSA-N	322.756	1.571	50	20	DDGD	
C[C@H](CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)c1ccco1	861767979	ZQJPHQRJKXQLSD-VXGBXAGGSA-N	314.407	1.266	50	20	DDGD	
CC(C)C(=O)Nc1cccc(NCc2cccc(B(O)O)c2)c1	864019392	FLICJQNLWMJHHS-UHFFFAOYSA-N	312.178	1.573	50	20	DDGD	
Cc1cccc(NNC(=O)C(=O)c2cnn(C(C)(C)C)c2)n1	862524319	XBSDGKGHYXDTIM-UHFFFAOYSA-N	301.350	1.668	50	20	DDGD	
O=C1NCC[C@@]1(C(=O)NNc1cccnc1Cl)C1CCCC1	861985908	FTCIRADKVKSMDJ-OAHLLOKOSA-N	322.796	1.875	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCC(=O)N2)ccc1SC	863144730	FIBSFNGXTSNFPB-JTQLQIEISA-N	307.375	1.146	50	20	DDGD	
CO[C@H]1Cc2ccc(NC(=O)NNC(=O)C(C)(C)C)cc2C1	760956088	XCPDEDCYUMDMDH-ZDUSSCGKSA-N	305.378	1.999	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc2cc(O)ccc12	869068170	NKAUWAKPUVHQKI-ZWNOBZJWSA-N	314.341	1.731	50	20	DDGD	
CCc1nncn1CCNC(=O)[C@@H](Br)C(C)(C)C	768171561	BCUGSVLVFAWISR-SNVBAGLBSA-N	317.231	1.766	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1nnc(C(F)F)s1	764649286	GCFYDUFHCHQXRE-UHFFFAOYSA-N	317.281	1.423	50	20	DDGD	
C[C@@H](Oc1cccnc1)C(=O)NNCC(F)(F)C(F)(F)F	863094987	BHUVGDPOXSNBII-SSDOTTSWSA-N	313.226	1.667	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(OC(C)C)cc1	863145467	JKECBILOMOXXFH-AWEZNQCLSA-N	303.362	1.593	50	20	DDGD	
CC(C)NC(=O)N1CCC[C@H]1C(=O)NN[C@H](C)C(F)(F)F	862314942	NADSDIOICLLQNJ-BDAKNGLRSA-N	310.320	1.140	50	20	DDGD	
COC(=O)CCCC(=O)NNC(=S)Nc1cccc(C)c1C	764450710	UQIYEMJEXXPPDG-UHFFFAOYSA-N	323.418	1.964	50	20	DDGD	
CC[C@@]1(C(=O)NNc2nccnc2C2CCC2)CCNC1=O	868339224	QVCCTRIWVYYGPU-OAHLLOKOSA-N	303.366	1.104	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2nc(C(C)(C)C)cs2)n[nH]1	765306644	GOVOLEWCGGECKF-UHFFFAOYSA-N	322.394	1.939	50	20	DDGD	
COCCOc1ccc(CC(=O)NN[C@H](C)C(F)(F)F)cc1	862317971	NWBABNMWYATSQR-SNVBAGLBSA-N	320.311	1.826	50	20	DDGD	
CNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H](Br)C(C)(C)C	766747010	TZVHDWWSDVQRNU-RQJHMYQMSA-N	323.187	1.183	50	20	DDGD	
CN(C)CC(=O)NN=Cc1cn(C)nc1-c1cc(F)ccc1F	872348105	PWWCXKRECUWXEV-UHFFFAOYSA-N	321.331	1.377	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1cccc([N+](=O)[O-])c1C	779815101	HXIQIRKJHDNMHR-UHFFFAOYSA-N	308.338	1.653	50	20	DDGD	
Cc1ccc(NNC(=O)NCCOCC(=O)O)c(Cl)c1	874408688	JQSDJRJIUKGTKU-UHFFFAOYSA-N	301.730	1.376	50	20	DDGD	
COCc1cc(CNC(=O)NN=c2cc[nH]c(C)c2)ccc1F	875254842	DNRDUFLJMNIERZ-UHFFFAOYSA-N	318.352	1.924	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H](c1ccccc1)C(C)(C)CO	875407970	HXHKXODSKOAMBE-CYBMUJFWSA-N	323.393	1.701	50	20	DDGD	
CC(C)n1ncc2cc(NC(=O)NNC(=O)CN(C)C)ccc21	775625952	TVSPYXHXMWGTQM-UHFFFAOYSA-N	318.381	1.332	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1nc2ccccc2n1C	872403272	KVVLBLBRGSLRTN-UHFFFAOYSA-N	304.350	1.077	50	20	DDGD	
CC1(C)[C@H](C(=O)O)[C@H]1C(=O)NNC(=O)c1cccc(Cl)c1	872832116	UOMHDDJNFRDPNS-UWVGGRQHSA-N	310.737	1.458	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(CSCC)on1	770223383	PAGVEPFBGKRCFX-UHFFFAOYSA-N	300.384	1.672	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@H]2CC23CCC3)nc1C	778427414	XFBMEWWLYXUYCS-LLVKDONJSA-N	304.350	1.595	50	20	DDGD	
CS[C@H](C)CCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	773181527	HVPZZBIXLAPYKF-MFKMUULPSA-N	324.402	1.506	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC2CCCCC2)cc1O	882048100	DBLPTELIEDVFND-UHFFFAOYSA-N	306.362	1.811	50	20	DDGD	
CC(C)(C)SCCCC(=O)NNC(=O)C1CCOCC1	883066535	ABAGFAZIIPIIIW-UHFFFAOYSA-N	302.440	1.872	50	20	DDGD	
Cc1ncsc1/C=C\C(=O)NNC(=S)NCC1CCC1	776975062	CJHMVTYHBRPSNT-WAYWQWQTSA-N	310.448	1.760	50	20	DDGD	
C[C@@H](C1CCCCC1)N(C)C(=O)NNC(=O)c1cccnn1	883852245	KAPOQLWDCLAVIC-NSHDSACASA-N	305.382	1.732	50	20	DDGD	
COc1ccc([C@@H](CO)N(C)S(=O)(=O)CCCCl)cc1	881924098	IBONBZGAZPYITK-CYBMUJFWSA-N	321.826	1.619	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1C[C@]1(C)C(C)C	775073432	LPOYXIPWVUBKRG-HWWQOWPSSA-N	312.410	1.794	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H]2C[C@H](CO)C2)cc1	886898805	RGUBBTMOJCLPFG-GGFDAMFSSA-N	300.358	1.879	50	20	DDGD	
CO[C@H]1Cc2ccc(NC(=O)NNc3ncc(F)cn3)cc2C1	775751922	RIKQIMLNCRZQDR-ZDUSSCGKSA-N	317.324	1.878	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1cc(O)nc(C2CC2)c1	771272483	JRLZMFAHEWQDNT-UHFFFAOYSA-N	316.317	1.402	50	20	DDGD	
N#Cc1ccc(NNC(=O)NC2CCN(C3CCC3)CC2)nc1	889193758	WCJQWDVEOIBIRA-UHFFFAOYSA-N	314.393	1.596	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ccn(C(F)F)n1	780740130	WDYGPKGZZCJXJP-UHFFFAOYSA-N	310.260	1.822	50	20	DDGD	
N#CCNCc1cn([C@]2(Cl)C[C@H]2CCBr)nn1	881382993	RYQRBAOWZJOKHZ-PSASIEDQSA-N	318.606	1.588	50	20	DDGD	
CC(C)CN1C[C@@H](C(=O)NNc2ccc(F)c(F)c2)CC1=O	885111018	QSOGMDQABOBDOG-JTQLQIEISA-N	311.332	1.912	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cc(C(C)C)on2)nc1	782146150	ZRGKXVZOSJRNOK-UHFFFAOYSA-N	319.321	1.283	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)CNC(=O)c2cccnc2)[C@H](C)C1	783854642	XKADQBINMTYWEK-NWDGAFQWSA-N	302.378	1.740	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1cnn(C(C)(C)C)c1C	787157607	LFTDFTJQGNCOPA-CYBMUJFWSA-N	324.425	1.838	50	20	DDGD	
CC[C@H](O)[C@H](C)C(=O)NNC(=O)COc1ccc(C)c(C)c1	899940399	MFIOPKIHOBCVHN-JSGCOSHPSA-N	308.378	1.237	50	20	DDGD	
Cc1ccc(C(=O)C(=O)NNc2ccc(-n3ccnc3)nn2)cc1	788177044	AIRLJGKIDNHOCB-UHFFFAOYSA-N	322.328	1.297	50	20	DDGD	
Cc1nc(NC(=O)NNC(=S)N[C@H](C)c2ccccc2)no1	781109486	BHRGXBXTRISGMG-MRVPVSSYSA-N	320.378	1.640	50	20	DDGD	
C[C@H](OCCc1ccccc1)C(=O)NNC(=S)NC(C)(C)C	899997356	PYBRRDFYNUKOSR-LBPRGKRZSA-N	323.462	1.928	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCc1ccccc1C(=O)OC	780708285	DWDJEQCPFPRVNH-UHFFFAOYSA-N	307.350	1.098	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc2cccnc2n1	899998056	DIJBGTKUJNWWMU-UHFFFAOYSA-N	303.391	1.537	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)c1cccc(F)c1	788229853	DSQZRPNUUPPFPF-UHFFFAOYSA-N	309.322	1.230	50	20	DDGD	
COc1c(CNC(=O)NNC(=O)C(C)C)oc2ccccc12	788863846	XDCZXOHPRSLMRP-UHFFFAOYSA-N	305.334	1.928	50	20	DDGD	
COC[C@@H](C)n1ccc(NC(=O)NNc2ccc(OC)cn2)n1	782077958	WILJDZLEDUOHRU-SNVBAGLBSA-N	320.353	1.643	50	20	DDGD	
CO[C@@H]1CN(C(=O)NC[C@]2(C)C[C@H]2Br)CCO1	895921723	FALWLRQOWIUVDR-YWVKMMECSA-N	307.188	1.174	50	20	DDGD	
CCc1noc(CCCC(=O)NNC(=S)NC(C)(C)C)n1	899992288	VQSAGHPNTMVDJA-UHFFFAOYSA-N	313.427	1.249	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2cnc(-c3ccccc3)nc2)CC1	790181477	LSTQYEUBZKKPBM-UHFFFAOYSA-N	324.388	1.435	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)c1cccc(N(C)C)c1	792838634	GDMHYJAHHMUXHI-BXUZGUMPSA-N	307.394	1.575	50	20	DDGD	
CC(=NNC(=O)c1ccc(Cl)nc1)C(C)(C)n1cncn1	794495464	PSHQNPNLPSZQDJ-UHFFFAOYSA-N	306.757	1.868	50	20	DDGD	
CN1CCCC(C)(C)[C@H]1CNS(=O)(=O)CBr	790451646	UASSTPFCRVFPID-SECBINFHSA-N	313.261	1.379	50	20	DDGD	
CC(C)(C)n1cc(C=NNC(=O)Cc2ccc(F)cc2)nn1	790151942	VWHDPFVXYQIAMA-UHFFFAOYSA-N	303.341	1.865	50	20	DDGD	
C=C(CBr)COC(=O)c1cc2n(n1)CCCO2	795627717	SKQXTKFYQYOKQA-UHFFFAOYSA-N	301.140	1.774	50	20	DDGD	
COc1nccnc1NNC(=O)c1nc2cccnc2s1	791226241	SVNMOKDHKNBLSY-UHFFFAOYSA-N	302.319	1.247	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ccc([N+](=O)[O-])cc2)CCC1	793705998	VPQJBNWAHKLDML-UHFFFAOYSA-N	313.335	1.005	50	20	DDGD	
CC(C)c1occc1C(=O)NNC(=O)C(=O)Nc1ccccn1	795173881	FLHIVTZZAARNMO-UHFFFAOYSA-N	316.317	1.198	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H](C)n1cncn1	798143236	KAXYFEJBWZEXLW-MRVPVSSYSA-N	309.761	1.549	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CNc2ccc(C)cc2)ccn1	1318259389	QOYWELGUZILQFR-UHFFFAOYSA-N	314.345	1.272	50	20	DDGD	
Cc1cc(NNC(=O)c2ncoc2[C@@H]2CCCO2)nc(C)n1	1318616691	CCIBXBIFOSULSL-JTQLQIEISA-N	303.322	1.690	50	20	DDGD	
CC(C)n1ccc(NC(=O)C(=O)NNc2ncccc2F)n1	1323763039	VACJVXFCAXCNEP-UHFFFAOYSA-N	306.301	1.080	50	20	DDGD	
CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NNc1ccn(C)n1	1321105413	NTIUKMJQAOOTIY-IGLBNKAOSA-N	323.422	1.121	50	20	DDGD	
Nc1cnnc(NNC(=O)NC[C@@H]2CCC(F)(F)C2)c1Cl	1325058017	MDCKQCCEIORPHL-ZCFIWIBFSA-N	320.731	1.774	50	20	DDGD	
CC1(CNC(=O)NNc2nncc(N)c2Cl)CCOCC1	1324656837	KYVGITBCUZIMQE-UHFFFAOYSA-N	314.777	1.155	50	20	DDGD	
Cc1coc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)c1C	1323519828	TXMQIWZRXJFTGG-UHFFFAOYSA-N	302.334	1.573	50	20	DDGD	
O=C(NNC(=O)c1cnc2n1CCCC2)c1ccccc1Cl	1255733956	ROOHJHANPSFZIE-UHFFFAOYSA-N	318.764	1.948	50	20	DDGD	
COC(=O)[C@@H]1C[C@H](O)CN(C(=O)c2cccc(CCl)c2)C1	1336534921	DHPGRPSGDNMPSM-OLZOCXBDSA-N	311.765	1.421	50	20	DDGD	
CO[C@@]1(C=NNC(=O)c2cncn2-c2ccccc2)CCOC1	1261373870	SYFFAWDMICUOHM-MRXNPFEDSA-N	314.345	1.393	50	20	DDGD	
Cc1cccnc1[C@H](C)NC(=O)NNC(=O)Cc1cccnc1	1263080058	MDRQSLZLSCOAMG-LBPRGKRZSA-N	313.361	1.419	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccc(C#N)c2C)cc1	1344636868	FTKGLYGXVJFRCI-UHFFFAOYSA-N	309.325	1.950	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CC[C@H]3OCCC[C@H]3C2)c1	1351353677	SAAMUUMSAYQYJL-NWDGAFQWSA-N	323.418	1.912	50	20	DDGD	
Cc1cccnc1NNC(=O)c1nn(C)c(C)c1Br	1521473620	PWHKGSGYVUPTAF-UHFFFAOYSA-N	324.182	1.951	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CC(CC(=O)O)C2)cc1C	1600441804	NGKGJYNHTDNJAA-UHFFFAOYSA-N	317.345	1.599	50	20	DDGD	
Cc1cc(C)c(CC(=O)NNc2ncccc2C(=O)O)c(O)n1	1605146150	AWEHGWQUSGXXNI-UHFFFAOYSA-N	316.317	1.183	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCc1ncc(C(=O)O)s1	1603469952	DIBALGTYZQVLBM-UHFFFAOYSA-N	316.339	1.080	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNc2cccc(C(=O)O)c2C)n1	1607892388	XSONHGBMSRYHNQ-SNVBAGLBSA-N	316.361	1.978	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)Cn2ccc(C(F)F)n2)cc1	1602127733	XQFKCKLMTQYGAI-UHFFFAOYSA-N	324.287	1.591	50	20	DDGD	
O=C(O)c1cc(OC(=O)[C@@H]2C[C@]23CCOC3)ccc1[N+](=O)[O-]	1608857484	KYVLZTOWOZRZFQ-HZMBPMFUSA-N	307.258	1.625	50	20	DDGD	
Cc1c(NC(=O)NNc2ncncc2F)cccc1C(=O)O	1607546173	BXANRYLLZYCOIQ-UHFFFAOYSA-N	305.269	1.771	50	20	DDGD	
Cc1cc(=NC(=O)NNc2cccc(C(=O)O)c2F)cc[nH]1	1607690832	VJFIDQOHNLPHQX-UHFFFAOYSA-N	304.281	1.798	50	20	DDGD	
O=C(NCCc1ccc(C(=O)O)cc1)NNC(=O)C1CCCC1	1610694930	XPWFJMWTLRMHOQ-UHFFFAOYSA-N	319.361	1.448	50	20	DDGD	
Cc1cccc2c1C(=NNC(=O)[C@@H]1CN3CCC[C@H]3CO1)CC2	1549313001	GGHHTASOPRWNNM-HOCLYGCPSA-N	313.401	1.625	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1nnc2ccccc2n1	1610699767	JKQJAAZGNNQDDK-UHFFFAOYSA-N	309.285	1.480	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C(=O)NN=C1CCCOC1	1549310949	OLGBORAKTPNLOK-QWHCGFSZSA-N	306.366	1.170	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@]1(CC(=O)O)CCOC1	1610618916	OCTYOTSGXNFTNT-MZTACXPWSA-N	316.313	1.049	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@@H]1C=NNC(=O)[C@@H]1CC[C@H](C)O1	1552762265	BRGDCOGFVBXEGV-RFQIPJPRSA-N	320.393	1.650	50	20	DDGD	
CCCCNC(=O)NNC(=O)C[C@@H](N)c1ccccc1OCC	1577462101	UKWONYNNFBSOKY-CYBMUJFWSA-N	322.409	1.606	50	20	DDGD	
CO[C@@H](C(=O)O)C(=O)NN(Cc1ccccc1)c1ccccc1	1574103826	BQFDEIYMQVIITN-OAHLLOKOSA-N	314.341	1.824	50	20	DDGD	
C[C@@H](N)c1nc(C(=O)NNc2cccc([N+](=O)[O-])c2)cs1	1576176514	XWJWWLXICCWEDC-SSDOTTSWSA-N	307.335	1.828	50	20	DDGD	
CN1CC[C@@H](C(=O)NNC(=O)CCCCCN)c2ccccc21	1578523801	PHTXTHYLNAAGRT-CQSZACIVSA-N	318.421	1.277	50	20	DDGD	
NC[C@H](O)CC(=O)NNc1ccc(Br)cc1Cl	1580231663	BUJVYKQWLDNZKD-SSDOTTSWSA-N	322.590	1.255	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])[C@@H]1NCC[C@H]2CCCC[C@H]21	1580742675	BXYDNIIMYJEAPV-NQBHXWOUSA-N	319.365	1.601	50	20	DDGD	
CCC(=O)N1CC2(CCCN2C(=O)[C@H](C)Br)C1	1846176188	SPKJUSYMJAAVOA-VIFPVBQESA-N	303.200	1.383	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@]2(C(=O)O)CC2(C)C)c1F	1593898463	UEJRYSTYJFDKSF-HNNXBMFYSA-N	324.308	1.556	50	20	DDGD	
CN1C(=O)CC[C@H]1C(=O)NNc1ccc(C(=O)O)c(Cl)c1	1598548347	RBIHHGSJAPVBSF-JTQLQIEISA-N	311.725	1.102	50	20	DDGD	
O=C(C1CCCCC1)N1CCN(S(=O)(=O)CCl)CC1	830212006	IVMYGEGLVDQWIT-UHFFFAOYSA-N	308.831	1.237	50	20	DDGD	
CC[C@H](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	1590404709	XGDVBWVHHYKTQB-VIFPVBQESA-N	302.338	1.064	50	20	DDGD	
C[C@]1(CNC(=O)c2ccoc2CC(=O)O)C[C@H]1Br	1594027696	ZTRNRZYGVHBTED-BXKDBHETSA-N	316.151	1.810	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H]2CCO[C@H]2C(C)(C)C)[nH]c1C(=O)O	1776107106	KFGZRUPUQCDSSO-DGCLKSJQSA-N	321.377	1.923	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccccn1	17329315	XDFOYCGPIRWAMB-UHFFFAOYSA-N	307.313	1.547	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cccc(OC(F)(F)F)c1	150904503	VPEQPCUHIDJTDR-UHFFFAOYSA-N	317.267	1.939	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1c(F)cc(F)cc1F	161847708	HWNGKBVXWCBQRD-UHFFFAOYSA-N	305.256	1.084	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Cc1ccc2ccccc2c1)N(C)C	151437134	QEAFCSSRGXGJKP-INIZCTEOSA-N	313.401	1.870	50	20	DDGD	
CN(C)C(=O)NNC(=O)Cc1cccc(OCC(F)(F)F)c1	153448223	QNEONUIHDHIOAI-UHFFFAOYSA-N	319.283	1.473	50	20	DDGD	
N#Cc1ccc(NNC(=O)CN2C(=O)CCc3ccccc32)cc1	155230756	SPPBWAINEZJVHE-UHFFFAOYSA-N	320.352	1.981	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1ccncc1F	156277099	GOVWDHUQZFGVRL-UHFFFAOYSA-N	303.293	1.320	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	154205553	HVUWACVATMUYGY-VIFPVBQESA-N	322.390	1.714	50	20	DDGD	
CCCc1cc(C(=O)NNc2nccc(N(CC)CC)n2)[nH]n1	155914392	FUYKONRTPJRNLC-UHFFFAOYSA-N	317.397	1.755	50	20	DDGD	
O=C(Cc1ccccc1)NCC(=O)NNc1cccc(F)c1	154459567	FPTKQTBJDRYOHJ-UHFFFAOYSA-N	301.321	1.628	50	20	DDGD	
CCCCN(CC(N)=O)S(=O)(=O)c1ccc(CCl)cc1	312816038	IQTNOVUVHXTTFX-UHFFFAOYSA-N	318.826	1.702	50	20	DDGD	
C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cccc(CCl)c1	711751257	AUCDJLPBTUOPKZ-SKDRFNHKSA-N	301.795	1.588	50	20	DDGD	
CN(C)C(=O)NN=C1CCN(C(=O)OCc2ccccc2)C1	496164304	FBAKLRPJINMJAG-UHFFFAOYSA-N	304.350	1.656	50	20	DDGD	
CC(C)(C)OC(=O)NNS(=O)(=O)c1ccc(C#N)s1	496707171	GJYFXHINOSRSHD-UHFFFAOYSA-N	303.365	1.338	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)c2ccccc2F)cc1	3607191	BAZAQNVZEURFPQ-UHFFFAOYSA-N	318.304	1.674	50	20	DDGD	
CNC(=S)NNC(=O)c1sc(-c2ccccc2)nc1C	7677658	HPZBKVATQMDHGT-UHFFFAOYSA-N	306.416	1.857	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C	55617284	KDRAVNYALXZHFA-QMMMGPOBSA-N	315.351	1.259	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)CCCS(C)(=O)=O)nn1	118525036	HRVZWWCUYCAQRL-UHFFFAOYSA-N	314.411	1.042	50	20	DDGD	
C[C@H]1CCCC[C@@H]1OCC(=O)NNC(=O)c1ccc(C#N)cc1	112885745	XMUDJVHKOLHLOT-WFASDCNBSA-N	315.373	1.915	50	20	DDGD	
CCCNC(=O)[C@@H]1CCCN(C(=O)NNC(=O)C(C)(C)C)C1	109150541	TTZACMTVSLPXBM-LLVKDONJSA-N	312.414	1.012	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1nc(C)cs1	105306439	IHIOXIYODKRIKG-ZJUUUORDSA-N	312.395	1.412	50	20	DDGD	
COCCOc1ncccc1C(=O)NNc1ncccc1Cl	114886053	ZBDLJSLHDXOKIB-UHFFFAOYSA-N	322.752	1.912	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cccnc1	23566871	HAYZADQMZZWBTF-SNVBAGLBSA-N	303.293	1.449	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(C)CCOc1ccc(OC)cc1	178949083	VVKQBUCNOGQRBD-OUKQBFOZSA-N	304.346	1.976	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2C[C@H]2C2CC2)cc1C	175523723	MXRGNAMMLGUPPE-UONOGXRCSA-N	315.373	1.435	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@H]1CC=CCC1	172484626	VBVAPDSHFORKAE-ZDUSSCGKSA-N	303.362	1.677	50	20	DDGD	
Cc1nc(NC(=O)NNC(=O)CCOc2ccccc2)oc1C	60971456	WZMRBSHGURWRTD-UHFFFAOYSA-N	318.333	1.913	50	20	DDGD	
CCc1ccc(C(C)(C)C(=O)NNC(=O)NCCCOC)cc1	175831044	CBIFKSXSOGZJPI-UHFFFAOYSA-N	321.421	1.894	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCCOCCOC)cc1	67832330	VRCIDRMUXCMDEP-QINSGFPZSA-N	318.373	1.771	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)Nc1ccccc1C)C1CC1	126560423	VIYLGOWWJIAMOO-ZDUSSCGKSA-N	306.366	1.756	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C)N(C)C	124493396	GGMDUJDEYRXJBO-KGLIPLIRSA-N	321.421	1.558	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)C2C[C@@H](C)C[C@@H](C)C2)n1	183447011	RVUJZPAVUQPTFC-BVUQATHDSA-N	306.410	1.720	50	20	DDGD	
COCc1cccc(CC(=O)NNc2ccc(OC)cn2)c1	187483887	DIJOSCQQBGXCOH-UHFFFAOYSA-N	301.346	1.922	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)Nc1ccnn1C	125538851	FZFVHYGVBJATOV-VIFPVBQESA-N	321.312	1.179	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(-c2ncco2)cc1	183429847	BHKYQZKBHTUDDE-UHFFFAOYSA-N	304.306	1.531	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1cc(F)cc(Cl)c1	184496938	ZRFLLMNQMOSKNW-UHFFFAOYSA-N	315.732	1.611	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1ccc(-n2cccn2)nc1	183982385	ABHBIWNGNKKYAO-UHFFFAOYSA-N	323.316	1.129	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F	75564276	LMTSNMOYZOABEN-VHSXEESVSA-N	311.357	1.750	50	20	DDGD	
Cc1csc(NC(=O)NNC(=O)COc2ccc(F)cc2)n1	125673985	IUYVCBBJZSYAMD-UHFFFAOYSA-N	324.337	1.822	50	20	DDGD	
Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)NN(C)C(N)=O	181080902	PYWQROQJDCXAED-ZDUSSCGKSA-N	320.393	1.181	50	20	DDGD	
CSCCCCC(=O)NNc1nc2ccccc2c(=O)n1C	122600855	BLCOWHXTPIXULX-UHFFFAOYSA-N	320.418	1.910	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2cc(F)c(F)cc2F)cc1	127986324	UQAHWTAEUNZAQT-UHFFFAOYSA-N	309.247	1.960	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(Cl)ncc1Cl	121742586	ZIKYWOHVXBFVBK-UHFFFAOYSA-N	314.132	1.944	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	184677257	SJHNHSXPVFXFHR-HTQZYQBOSA-N	302.252	1.985	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)cc1	126107821	MOUDCMOUPHNVTH-UHFFFAOYSA-N	305.378	1.771	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCc1cn2ccsc2n1	78984538	FNUSBEXPRJFZBY-UHFFFAOYSA-N	311.367	1.635	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCCN1CCCCCC1=O	79252995	YOHNKRQPUSGTII-UHFFFAOYSA-N	312.414	1.156	50	20	DDGD	
CCC[C@H]1C[C@H](C(=O)NNC(=O)Cc2cccnc2)CCO1	180053506	CJWOOTOAJMUBHX-KGLIPLIRSA-N	305.378	1.367	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cccc(N2CCCC2=O)c1	80085607	WZLZVKCSXIVOET-UHFFFAOYSA-N	303.362	1.621	50	20	DDGD	
COCC[C@H](C)NC(=O)NNC(=O)c1ccc(Cl)cc1F	83205438	UXNGOLBUGJHGBD-QMMMGPOBSA-N	317.748	1.848	50	20	DDGD	
CN(C)c1ccc(C(=O)NNc2nc3ccccc3c(=O)[nH]2)cc1	137228931	FDRKAKFPHPZNOF-UHFFFAOYSA-N	323.356	1.746	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@H](C)N2CCC(C)CC2)o1	84434601	QYFHOBIDXUUMHO-GFCCVEGCSA-N	322.409	1.652	50	20	DDGD	
CN1CCO[C@H](C(=O)NNc2cccc(C(F)(F)F)c2)C1	85504183	WSTRSDGYYACLOY-NSHDSACASA-N	303.284	1.479	50	20	DDGD	
O=C(NNc1ncccn1)[C@H]1CCCN1C(=O)c1ccccc1	193231694	QZRYEKRFVNGKLO-CYBMUJFWSA-N	311.345	1.225	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccc(F)c(F)c1F	191929541	DRRIPMYDKKKZON-UHFFFAOYSA-N	307.235	1.904	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(-n2cnc3ccccc32)cc1	194926199	NWFHSYWEILSTFR-UHFFFAOYSA-N	323.356	1.942	50	20	DDGD	
Cc1cc(F)ccc1CCNC(=O)NNC(=O)[C@@H]1CCCO1	88617627	SJQMXHFUPREYGY-ZDUSSCGKSA-N	309.341	1.186	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNc1cc(C)nc(C)n1	88381431	UJNUOFGBKQIBII-UHFFFAOYSA-N	303.366	1.892	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])s2)c(O)c1	194265314	XPTXPHQMRNZVOJ-UHFFFAOYSA-N	321.314	1.745	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)[C@@H]1COc2ccccc2C1	195221434	LUGOSASRWHOSME-AWEZNQCLSA-N	302.374	1.965	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)C=C2CCC2)o1	87190264	IJBYRZHBMNUOET-UHFFFAOYSA-N	305.378	1.993	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1cccc(OCC(=O)O)c1	264955145	XRMIRWSNGDTDJX-KPKJPENVSA-N	305.286	1.247	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCCc1cnn(C)c1	263770762	SLEXQNVEYIJFTD-UHFFFAOYSA-N	315.377	1.305	50	20	DDGD	
O=C(C[C@H]1CCc2ccccc2C1)NNC(=O)N1CCOCC1	264802913	CMJWAFVNHJNLNQ-ZDUSSCGKSA-N	317.389	1.255	50	20	DDGD	
O=C(C#Cc1ccc2c(c1)OCO2)NNC(=O)NC1CCCC1	268606698	XJRZGPORQTUGCK-UHFFFAOYSA-N	315.329	1.040	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)C[C@@H]1CSCCS1	269715151	ADNMEAOYGOTAOO-LLVKDONJSA-N	311.432	1.010	50	20	DDGD	
CC(C)N(C)S(=O)(=O)NNC(=O)c1cccc2ncccc12	267097868	WCIMUICUNVARDK-UHFFFAOYSA-N	322.390	1.054	50	20	DDGD	
Cc1cc(Cl)ccc1S(=O)(=O)NNC(=O)C1CCC1	264720934	HUKNURICKSWMEJ-UHFFFAOYSA-N	302.783	1.758	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1cccnc1N1CCOCC1	272697903	DUCIHCBSTUFDJY-UHFFFAOYSA-N	317.324	1.209	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccccc1F)[C@@H]1CCCCO1	272021459	RVEAVWWHRKWYKY-GWCFXTLKSA-N	309.341	1.727	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H](C)c2nnc(C)s2)n1	274130127	CHWQMMWZWPMPGC-ZCFIWIBFSA-N	309.355	1.032	50	20	DDGD	
CCCOc1ccccc1NC(=O)C(=O)NN(C)C(=O)NCC	276101455	GDAYHBPIYYYGBX-UHFFFAOYSA-N	322.365	1.106	50	20	DDGD	
CC(C)(C)Oc1ccc(NC(=O)C(=O)NNC(=O)C2CC2)cc1	274047936	KMQCXPJFTLJWJE-UHFFFAOYSA-N	319.361	1.360	50	20	DDGD	
COC(=O)NNC(=O)[C@H]1CC(=O)N(c2cccc(SC)c2)C1	276746290	FOVUTPCUICPNHS-VIFPVBQESA-N	323.374	1.149	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC2CCSCC2)c1	272543905	DAUQYURRFORRCO-UHFFFAOYSA-N	309.391	1.995	50	20	DDGD	
COCCC[C@H](C)C(=O)NNC(=O)[C@H]1COc2ccccc2O1	272098274	KXXFNTWUTWBMBV-SMDDNHRTSA-N	322.361	1.037	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc(OCCC(C)C)cc1	274068078	OPOMTUMCKOTWRF-UHFFFAOYSA-N	307.350	1.217	50	20	DDGD	
COc1cncc(C(=O)NNC(=O)CCCc2ccccc2)n1	276620965	NVDVCRZOTFGHPL-UHFFFAOYSA-N	314.345	1.269	50	20	DDGD	
O=C(NNC(=O)c1csc([C@@H]2CCCO2)n1)c1ccccn1	270104372	HJQKMSBRWDHPPC-NSHDSACASA-N	318.358	1.464	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CC[C@H]([C@H](C)O)C2)cc(C#N)n1C	273051934	WWNHSCURTFEABW-WBNCPIHSSA-N	312.373	1.341	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)N1CCN(C)CC1)c1ccccc1	278725159	URDFPECCNGTHJS-HNNXBMFYSA-N	318.421	1.414	50	20	DDGD	
CC(C)[C@@H](O)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	285244480	YQEAMYWGHOIUGY-SNVBAGLBSA-N	305.161	1.771	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@H]1CC12CCOCC2	375855477	ATKPIAUWZVXBAV-CQSZACIVSA-N	313.357	1.788	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)[C@H](F)CC2CCCCC2)nn1	281609005	YZHVFGLTHYKJCP-SNVBAGLBSA-N	309.345	1.327	50	20	DDGD	
Cc1nc(Cl)ccc1S(=O)(=O)NNC(=O)CC(C)C	288390510	JPQQEXLVFDBXAI-UHFFFAOYSA-N	305.787	1.399	50	20	DDGD	
CO[C@H]1CCN(C(=O)NNC(=O)c2ccc(C)s2)[C@@H](C)C1	281592621	FQHYAQCTCRVGOO-ONGXEEELSA-N	311.407	1.910	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@H]1CC(c2cccc(F)c2)=NO1	288802647	FJOZMRYFQKOFLA-CYBMUJFWSA-N	321.352	1.902	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCC1CC(F)(F)C1	292002816	UZEDOBPMAPEWKU-UHFFFAOYSA-N	313.304	1.685	50	20	DDGD	
Cc1nc(SCC(=O)NNC(=O)Nc2ccccc2)n[nH]1	801992445	NPDPQGOLLKEMNV-UHFFFAOYSA-N	306.351	1.058	50	20	DDGD	
C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NNc1ncc(F)cn1	802912769	FZPRMFXNFTWVTI-QMMMGPOBSA-N	313.333	1.220	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnc(C3CC3)nc2)s1	294632762	ULCFSUGMUNHNEK-UHFFFAOYSA-N	302.359	1.799	50	20	DDGD	
O=C(NNC(=O)[C@H]1OCCc2ccccc21)[C@@H]1CCCCO1	295675781	XMRBLGXLKMYSOS-KBPBESRZSA-N	304.346	1.017	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCC(CF)CC1	295216707	XHNVRKIACBUGNU-UHFFFAOYSA-N	321.396	1.366	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cncc(C(F)(F)F)c2)O1	294349962	UOEMWZXTLAXACX-XVKPBYJWSA-N	317.267	1.429	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1	293867774	YDUPCWXYTMGTBP-YPDDLIOESA-N	312.329	1.377	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc(-c2cnco2)cc1	295615893	REMCBJWGBJRGEY-ZDUSSCGKSA-N	315.329	1.672	50	20	DDGD	
O=C(Cn1cc(Cl)cn1)NNc1nc(-c2cccnc2)no1	806775573	GJFVAZOTYXJKOB-UHFFFAOYSA-N	319.712	1.125	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H](C)n2cccn2)cc1	299156782	NALQBEOQGUCIMS-GFCCVEGCSA-N	316.361	1.233	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)[C@@H](C)CN2CCCCC2)nn1	807957821	ZMUQUWOICHJJKR-ZDUSSCGKSA-N	306.414	1.431	50	20	DDGD	
N#CCCCCCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	805152679	HRIGUKZNRUFLNV-AWEZNQCLSA-N	317.345	1.448	50	20	DDGD	
COc1ccc2c(c1)C=C(C(=O)NNC(=O)CC1CC1)CO2	294168673	NPLOPUOEBJCWBP-UHFFFAOYSA-N	302.330	1.419	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@H](O)c1ccccc1	808030008	SYVYXGZHCHSCTK-CQSZACIVSA-N	318.304	1.789	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNC(=O)c2ccccc2)cc1	809953828	RNOHXKREJIHMPO-UHFFFAOYSA-N	312.325	1.938	50	20	DDGD	
C[C@H](COCc1ccccc1)NC(=O)NNC(=O)[C@@H]1CCCO1	293254351	GRPXQENKIGOTJR-OCCSQVGLSA-N	321.377	1.101	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1nc(C(F)(F)F)cs1	291774691	MZZLMKVBXXVRPY-YFKPBYRVSA-N	324.284	1.494	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2cccc(=O)n2C)ccc1C	816689583	PBAFULMOASTTMQ-UHFFFAOYSA-N	315.329	1.237	50	20	DDGD	
O=C(NCCc1cccs1)NN=C1CCS(=O)(=O)CC1	814818059	CIGAMGJEFUWPAY-UHFFFAOYSA-N	315.420	1.154	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)CNc2cccc(OC)c2)C1	819805574	ZFHXGZZIYCHZGK-UHFFFAOYSA-N	319.361	1.552	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NN=C1CCN(C(N)=O)CC1	812457052	BVEAGXPIRQULLG-UHFFFAOYSA-N	324.768	1.609	50	20	DDGD	
CCCCNC(=O)NNC(=O)C1(c2ccc(N(C)C)cc2)CC1	815114719	UOOZPDLSYONQJA-UHFFFAOYSA-N	318.421	1.915	50	20	DDGD	
O=C(NNc1ncncc1F)Nc1ccccc1-n1cccn1	814589133	LTCWYJVHIFNHCE-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2CC(=O)N(C)C2)c(C)c1	819037292	NFXPTOXDBIYUBZ-LLVKDONJSA-N	320.418	1.099	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1c[nH]c(C(=O)O)c1	814719357	LONRIGAUQKJGBN-UHFFFAOYSA-N	317.301	1.251	50	20	DDGD	
Cc1nc(-c2cnn(C)c2)sc1C(=O)NNC(=O)CC1CC1	819126465	OECZGQGJLVAEAZ-UHFFFAOYSA-N	319.390	1.413	50	20	DDGD	
O=C(NNc1ncncc1F)c1cn(Cc2cccs2)nn1	817080782	DOKNZBOWKXLQDK-UHFFFAOYSA-N	319.325	1.074	50	20	DDGD	
CC(C)C(=O)N[C@@H](CO)C(=O)NNc1c(F)cccc1Cl	813522674	PFYYTYYFVQBGFO-JTQLQIEISA-N	317.748	1.055	50	20	DDGD	
COc1ccc(C(C)=O)cc1CC(=O)NNC(=O)CC1CC1	819131419	FKPWIWRRVOXEID-UHFFFAOYSA-N	304.346	1.388	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CCc3cccnc32)cc1	819839844	SFVBZIGOZVTQBP-OAHLLOKOSA-N	324.384	1.679	50	20	DDGD	
O=C(CCc1ncccn1)NNC(=O)c1cccc(Cl)c1	812445018	KDFJBCSLCCQFSD-UHFFFAOYSA-N	304.737	1.524	50	20	DDGD	
CCc1nocc1C=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1	814765841	ANGFWYPNZYISQS-RWMBFGLXSA-N	322.409	1.432	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2cccn2C)cc1F	726449679	QWAFVKXQMMBPBN-UHFFFAOYSA-N	322.365	1.804	50	20	DDGD	
COc1cccc2c1N(CC(=O)NNC(=O)C(C)C)CCC2	828122972	OZGJUFSZBGILLN-UHFFFAOYSA-N	305.378	1.251	50	20	DDGD	
COc1cc(C#N)ccc1OCCCC(=O)NN(C)[C@@H](C)CO	823971226	RBMPJBYHIYEURT-LBPRGKRZSA-N	321.377	1.070	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCC1CC(F)(F)C1	826946827	QWZHWSULSWDITC-SCZZXKLOSA-N	305.325	1.177	50	20	DDGD	
CN(NC(=O)c1c[nH]nc1-c1ccccn1)C(=O)OC(C)(C)C	496508668	RVPLWIWRKPNQDU-UHFFFAOYSA-N	317.349	1.983	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNC(=O)Nc1ccc(OC)cc1	491692759	JFEZOKFIKCMGJO-NSHDSACASA-N	304.350	1.833	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1ccnc(OCCO)c1	825864592	VQTVLNXHCKEQSH-UHFFFAOYSA-N	310.354	1.042	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCC[C@H]1c1ccccc1	822232505	MLQYMNUEJONXFH-KBPBESRZSA-N	317.389	1.242	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCc1cccc(C(F)(F)F)c1	823935561	SXPBOGOBKAHSFP-JTQLQIEISA-N	304.312	1.982	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CC2(O)CCC2)cc1	825535697	FHTJYCRXUFUFAN-UHFFFAOYSA-N	306.362	1.080	50	20	DDGD	
O=C(CC1CCCC1)NNC(=S)NCCc1cccnc1	727698969	SQHPUSFOKZBAQM-UHFFFAOYSA-N	306.435	1.700	50	20	DDGD	
O=C1CSC[C@@H](C(=O)NNc2ccc(F)c(Cl)c2)N1	827488696	SOFLNIGZDLIRQR-VIFPVBQESA-N	303.746	1.154	50	20	DDGD	
CC[C@@H]1c2ccsc2CCN1C(=O)c1cccc(B(O)O)c1	584929577	RYPBNOIDMQBAJC-CQSZACIVSA-N	315.203	1.578	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccc(C(N)=O)nn2)c2c1CCC2	826843796	TVDLODSQDPCFCR-UHFFFAOYSA-N	311.345	1.130	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)N[C@H]1CCCOCC1	826448008	DWVNIYYMJPQRDR-NSHDSACASA-N	317.353	1.062	50	20	DDGD	
CCOC(=O)NNC(=O)c1cnn(-c2ccccc2OC)c1C	492483052	QFSJSRBQIDKVHF-UHFFFAOYSA-N	318.333	1.580	50	20	DDGD	
COC(=O)[C@@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)C(C)C	491053271	XZRDKODNGHCMLD-BCNIOPEESA-N	302.330	1.613	50	20	DDGD	
CC(C)Cn1cccc(C(=O)NNc2ncncc2F)c1=O	820386719	SMMRMSPMJWCAHD-UHFFFAOYSA-N	305.313	1.190	50	20	DDGD	
CS[C@@H]1CCCC(=NNC(=O)[C@H]2CCS(=O)(=O)C2)C1	901164575	RTIYLOBRMMXKEO-GXSJLCMTSA-N	304.437	1.199	50	20	DDGD	
COC(=O)N(C)NC(=O)C[C@@H](NC(C)=O)c1ccc(C)cc1	495692516	INFZPBIEURUTPM-CYBMUJFWSA-N	307.350	1.292	50	20	DDGD	
Cc1nc2c(s1)C(=NNC(=O)C(=O)N1CCCC1)CCC2	730946728	KQEQLIWEVJYTKB-UHFFFAOYSA-N	306.391	1.231	50	20	DDGD	
Cn1c(=NNC(=O)Cc2cncs2)sc2ccccc21	588541859	ZQPPQVAVTPPKAL-UHFFFAOYSA-N	304.400	1.871	50	20	DDGD	
CC(C)[C@@H](C)CNC(=O)NNc1cccc(-c2nn[nH]n2)c1	735703504	UGAKWBVFMWVOLR-JTQLQIEISA-N	303.370	1.785	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNC(=O)c1cccc2ncccc12	732288520	AZHYSAGQPUXMHE-HNNXBMFYSA-N	312.373	1.480	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CCN(C)[C@@H]2C)c(F)c1	839793470	SUTBEKRISMBQCM-MWLCHTKSSA-N	309.341	1.396	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1cc(C(=O)O)cn1C	901154600	DUNNFASNIJTRMV-LBPRGKRZSA-N	320.393	1.295	50	20	DDGD	
C[C@H](C1CCN(C)CC1)N(C)C(=O)/C(C#N)=C\c1cnn(C)c1	491107607	VYYJZCYDCDJWRL-WPBJZHHJSA-N	315.421	1.516	50	20	DDGD	
C[C@H](C(=O)O)n1cccc1C=NNC(=O)c1cccc(C#N)c1	833406195	LOQTZEPZVZHJCI-LLVKDONJSA-N	310.313	1.769	50	20	DDGD	
C[C@@H]1CC(=O)Nc2ccc(C(=O)NNC(=O)C(C)(C)C)cc2N1	906213270	GUJOLDQPYVPWJX-SECBINFHSA-N	318.377	1.636	50	20	DDGD	
C[C@@H]1[C@@H](CNC(=O)NNC(=O)N=c2cc[nH]cc2)CCC[C@H]1C	836439646	ZEMKAZSAKNAALK-FRRDWIJNSA-N	319.409	1.912	50	20	DDGD	
O=C(C#CC1CC1)NNc1ccc(S(=O)(=O)C(F)F)cc1	837487401	HASXGKXVRPAERW-UHFFFAOYSA-N	314.313	1.539	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1CCCN(C(=O)O)C1	738755688	CIJJUFKRVYIHRX-NSHDSACASA-N	320.349	1.081	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)c1cc(C)nc2ccccc12	732527599	BTAGSTXCYFLAHA-UHFFFAOYSA-N	319.386	1.694	50	20	DDGD	
C[C@H](C(=O)O)n1cccc1C=NNC(=O)CNc1ccccc1	833408326	SQMVDMKFXCZYNZ-GFCCVEGCSA-N	314.345	1.696	50	20	DDGD	
COCCN(C)NC(=O)c1cc(OC)ccc1OC(F)(F)F	837627304	VLEOTAHCRBMYOO-UHFFFAOYSA-N	322.283	1.817	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)c2cc3c(s2)CCC3)CCOC1	733352433	PSEJPZRQOWDJQP-HNNXBMFYSA-N	323.418	1.607	50	20	DDGD	
Cc1nccn1-c1ccc(CNS(=O)(=O)CCl)cc1F	830190329	MBMPNRFVFNJXPG-UHFFFAOYSA-N	317.773	1.936	50	20	DDGD	
CC(C)C[C@@H]1C[C@H]1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	832893822	CCINVOOFUUQISQ-FRRDWIJNSA-N	302.440	1.161	50	20	DDGD	
COC[C@H](OC)C(=O)NNc1ccc(F)cc1Br	830771205	HIVBVDZWQQODOP-JTQLQIEISA-N	321.146	1.693	50	20	DDGD	
CCCN1C[C@H](C(=O)NNC(=O)c2cccc(Cl)c2)CC1=O	839458040	YTSXYDGATHNRBF-LLVKDONJSA-N	323.780	1.360	50	20	DDGD	
C[C@@]1(C(=O)N2CCC(OCCO)CC2)C[C@@H]1Br	907139367	OMRGMGZBMPSVTR-CMPLNLGQSA-N	306.200	1.160	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1c(C)cnn1C)c1ccccc1	839674472	CPVCGCQBQKUHRY-CYBMUJFWSA-N	300.362	1.683	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCCCN2C)cc1	732257998	DFWGANCDQZUCLX-AWEZNQCLSA-N	305.378	1.006	50	20	DDGD	
CSc1ccc(O[C@H](C)C(=O)N2CC[C@H](B(O)O)C2)cc1	585065105	DGCBTDCTVJYUJY-MNOVXSKESA-N	309.196	1.251	50	20	DDGD	
CC[C@](C)(C=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1)OC	834935973	YWRFYIDWOXQTRF-ORIJERBGSA-N	313.442	1.649	50	20	DDGD	
O=C(Cn1cncn1)NNc1nc(-c2ccc(Cl)cc2)no1	732978146	HEUIIDLTCOBLPW-UHFFFAOYSA-N	319.712	1.125	50	20	DDGD	
O=S(=O)(CCl)N1CCO[C@]2(CCc3ccccc32)C1	830940167	NGRCUYZDSKYXQE-CYBMUJFWSA-N	301.795	1.686	50	20	DDGD	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@@H](B(O)O)C1	585073694	NJICLXJRJLIFAC-MRVPVSSYSA-N	304.033	1.667	50	20	DDGD	
CCC(C)(C)OCCNC(=O)NNC(=O)Cc1cccnc1	836280471	ZLLZZTAMGKHEFU-UHFFFAOYSA-N	308.382	1.160	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)N[C@H](C)C[C@H](C)N)cc1	831203751	ZLFSFRHOFUJPOU-NWDGAFQWSA-N	322.409	1.084	50	20	DDGD	
COc1ncc(S(=O)(=O)NCCSSC)s1	915342043	MDAQDAPZQCUWHX-UHFFFAOYSA-N	300.452	1.441	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNc1nccc(N(CC)CC)n1	839705102	XQFVJDUIFBFMAO-NSHDSACASA-N	323.397	1.355	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(C(=O)O)cn1)c1cccnc1	833411398	FHCPZVBIENKKGX-UHFFFAOYSA-N	300.318	1.596	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1	910152853	VOHGVYOMSLMLMZ-CMPLNLGQSA-N	315.414	1.024	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCO[C@@H](c2ccccc2C)C1	741801436	HIPPLELFGVHXFA-UKRRQHHQSA-N	319.405	1.314	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCc2ccc(OC)cc21	748253199	MFOPIPQWFRDRJB-NSHDSACASA-N	306.362	1.513	50	20	DDGD	
CCCOc1cccc(C=NNC(=O)C(=O)N2CCCC2)c1	748136823	SHXOHQXYXDXNFS-UHFFFAOYSA-N	303.362	1.548	50	20	DDGD	
COc1cccc(OCC(=O)NNc2ccnc(N(C)C)n2)c1	740112418	HXYQTDNAHOZZTN-UHFFFAOYSA-N	317.349	1.073	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1ccc(C)cc1	743447162	DNPIJNDDLHCADF-UHFFFAOYSA-N	300.318	1.279	50	20	DDGD	
O=C(COCCOc1ccccc1)NNC(=O)CC(F)(F)F	918367094	MLHDXARWVJRGJV-UHFFFAOYSA-N	320.267	1.182	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1C(=O)N(C)c2ccccc21	916354805	BMWGSCKMFXQDRW-UHFFFAOYSA-N	302.378	1.215	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(Cl)nc(C3CC3)c2)n[nH]1	847626880	SXWKWTYEBYSKQI-UHFFFAOYSA-N	319.752	1.719	50	20	DDGD	
COc1ccc(C)cc1C(C)=NNC(=O)CN1CCCC1=O	744762585	XSQPEZAGFQZWME-UHFFFAOYSA-N	303.362	1.466	50	20	DDGD	
COc1ccc(C=NNC(=O)Cn2cnc3ccccc32)c(O)c1	914692891	ZWCAODVKQUIPBD-UHFFFAOYSA-N	324.340	1.901	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)COc1ccc(Cl)cc1Cl	910182028	FTLLQUSSNZRLAS-MRVPVSSYSA-N	307.177	1.716	50	20	DDGD	
O=C(NCC[C@@]1(O)CCCOC1)NNc1cc(Cl)ccn1	846725040	KEVBPBOMLZCMAR-ZDUSSCGKSA-N	314.773	1.293	50	20	DDGD	
C[C@@H](Cc1ccncc1)NC(=O)NNc1cncc(Cl)n1	749617796	AXACBSFKHAQAHM-VIFPVBQESA-N	306.757	1.782	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cc(Cl)ccc1OC	748254169	WHHRXDLAHDVSPY-SNVBAGLBSA-N	314.769	1.850	50	20	DDGD	
Cc1c(NNC(=O)C2(C(=O)NC3CC3)CC2)cccc1[N+](=O)[O-]	748681531	RAQYPDYNBAKXKQ-UHFFFAOYSA-N	318.333	1.405	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NN=Cc1ccc(C(=O)O)[nH]1	749810414	UXNJMQSPAQEHBS-VIFPVBQESA-N	319.292	1.770	50	20	DDGD	
CN(C)CCCNC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	745254368	VTISDLJOVUOBAW-UHFFFAOYSA-N	322.413	1.040	50	20	DDGD	
Cc1cc2c(cc1C)O[C@H](C(=O)NNC(=O)CC(F)(F)F)C2	743317471	KTRXDLJZNKUWEL-NSHDSACASA-N	316.279	1.707	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)C1(c2cccc(F)c2)CCOCC1	843515911	TUEHSMVSDNGSLO-GFCCVEGCSA-N	310.369	1.218	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1C[C@]12CCc1ccccc12	743340114	ZVPCJXWTIBKNFG-PBHICJAKSA-N	310.357	1.383	50	20	DDGD	
COC(=O)C12CC(C(=O)NNc3ccc(C#N)c(Cl)c3)(C1)C2	843855313	YLVCLXOBKXHVLN-UHFFFAOYSA-N	319.748	1.998	50	20	DDGD	
COc1ccc2c(c1)C[C@H](C(=O)NNC(=O)C1CCCC1)CO2	914843791	AYPOFMMTLMFANG-ZDUSSCGKSA-N	318.373	1.584	50	20	DDGD	
COC(=O)[C@H](C)c1ccc(NC(=O)NNC(=O)C2CC2)cc1	841771227	NWMDQLBPTRLOED-SECBINFHSA-N	305.334	1.526	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1c[nH]nc1-c1ccc(C)o1	748252701	HGUISSSMOSREJK-LLVKDONJSA-N	320.349	1.480	50	20	DDGD	
CCCCO[C@@H]1CC(=NNC(=O)CN2CCCC2=O)C1(C)C	747629805	JESIVWRBSNWJOE-CYBMUJFWSA-N	309.410	1.696	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNc1nccnc1C1CCC1	846156531	WEZFHPBRKWFMOM-UHFFFAOYSA-N	305.382	1.350	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc(Cl)c1F	843653633	NYBNKPJUTKKONI-HTQZYQBOSA-N	300.717	1.665	50	20	DDGD	
O=C(C[C@@H]1C(=O)Nc2ccccc21)NNC(=O)NC1CCCC1	748725617	CFYWARDTLRMAPU-LBPRGKRZSA-N	316.361	1.385	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNc1nc2ccccc2n1C	848379422	HPAXYVDWHPKOIN-AWEZNQCLSA-N	301.394	1.891	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](C)Oc2ccccc2F)n1	746622701	DZBFAVJAKYNAHX-JTQLQIEISA-N	320.324	1.843	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)ccc1Cl)c1ncccn1	746096555	VFDUMPXCRVFKOT-UHFFFAOYSA-N	311.128	1.858	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](CCN)C(F)(F)F	841333583	ODFVYMBWUFQVHA-JTQLQIEISA-N	318.299	1.219	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CN2CCC(C)CC2)cc1	846373929	HKYPKJPMORNLKR-UHFFFAOYSA-N	319.405	1.577	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NC[C@@]1(C)C[C@H]1Br	857404156	SCJXJCMFHBVGQU-ZYHUDNBSSA-N	300.200	1.859	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1	759088243	AIUDXOUIBZYGCO-UHFFFAOYSA-N	318.314	1.311	50	20	DDGD	
C[C@@H]1COC[C@@H]1NC(=O)NNC(=O)c1ccc(Cl)cc1F	926010666	PMAWEKIJTJDYCJ-HQJQHLMTSA-N	315.732	1.458	50	20	DDGD	
CCCCOc1ccc(OC)cc1NC(=O)NNC(=O)CO	755659503	ASIMKFFAUGUWNG-UHFFFAOYSA-N	311.338	1.019	50	20	DDGD	
COC[C@@H](OC)C(=O)NNc1ccc(-c2ccccc2)nn1	857148950	MHHXLBSADMKLDK-CYBMUJFWSA-N	302.334	1.248	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O)C1CCC1	756732295	DFLRJMXWOCTRAZ-QMMMGPOBSA-N	322.321	1.433	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)Cc1coc2cc(F)ccc12	755281622	KHZVIOKSUNUFTE-UHFFFAOYSA-N	316.292	1.228	50	20	DDGD	
CCOc1ccc(C(=O)NN=C(C)c2cnn(C)c2)cc1OC	920828126	UDLPQYKXSMCCHQ-UHFFFAOYSA-N	316.361	1.981	50	20	DDGD	
COC(=O)C12CC(C(=O)NC[C@@]3(C)C[C@@H]3Br)(C1)C2	857385521	ISMFVSURBRYUPH-DRBGTSAUSA-N	316.195	1.619	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@H](NC(=O)NNc2ncc(Cl)cn2)C1(C)C	856880298	BJXBSSFIUANQKE-FKTZTGRPSA-N	313.789	1.816	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNC(=O)c1c(C)nc2ccccn12	858171876	YLYITUQIJDAOBF-LBPRGKRZSA-N	318.377	1.609	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNc1ccc(Cl)cn1	856092580	ZMVUJYGIIIRNAQ-KWQFWETISA-N	314.773	1.949	50	20	DDGD	
CCn1ccnc1C=NNC(=O)c1ccc(OC)c(OC)c1	755481936	VZZZIEUISZRQGS-UHFFFAOYSA-N	302.334	1.684	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C	854214453	YVXFUKKGZNOSFQ-JTQLQIEISA-N	300.399	1.794	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cccc(OC)c1OC(C)C	854929401	GGKYCGIDZHGIAQ-UHFFFAOYSA-N	311.407	1.563	50	20	DDGD	
COC(=O)CCCNC(=O)NC[C@@]1(C)C[C@H]1Br	856830498	OJQKLRZFVLBMGG-LDYMZIIASA-N	307.188	1.412	50	20	DDGD	
O=C(NCc1nc2c(s1)CCC2)NNC(=O)[C@@H]1CCCCO1	924597617	QGQQFSMYFVBMGS-JTQLQIEISA-N	324.406	1.031	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NC[C@@H](CO)CC1CC1	855915545	GDYUHQNAINNZTR-GFKDLEGOSA-N	300.358	1.824	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2C[C@@H]2C2CC2)cc1C	751298062	WWWPCKGPFAVWMO-HUUCEWRRSA-N	302.374	1.876	50	20	DDGD	
Cc1cc(C)c(OCC(=O)NNC(=O)c2cc[nH]n2)c(C)c1	855362826	WFFQKYJYQDXXST-UHFFFAOYSA-N	302.334	1.175	50	20	DDGD	
CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)NNC(=O)c1cn[nH]c1	858342391	OHJNKLAPAQWCKC-WCQGTBRESA-N	323.397	1.193	50	20	DDGD	
CO[C@@H](C)CCC(=O)NNC(=S)NCCc1cccs1	753016749	QRXQPEDKJGGXLT-JTQLQIEISA-N	315.464	1.601	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cc(F)c(O)c(F)c1)C1CC1	855099974	RKEMKNNMVBZMHJ-LURJTMIESA-N	315.345	1.578	50	20	DDGD	
Cc1noc(C2CC2)c1C(=O)NNC(=O)c1cccc(Cl)n1	857323470	OIKHBLMFNUZOFS-UHFFFAOYSA-N	320.736	1.984	50	20	DDGD	
Cc1cc(C)n([C@H](C)CC(=O)NNC(=S)N[C@@H](C)C2CC2)n1	855102260	IZDKNLPXWYLCSO-NEPJUHHUSA-N	323.466	1.745	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)c2c(C)nc3ccccn23)O1	756906432	FOBJFNBQCWHEGA-VXGBXAGGSA-N	316.361	1.361	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)C(=O)c1ccc(Cl)s1	758545794	CUPSFXBCZJZUKT-UHFFFAOYSA-N	323.761	1.369	50	20	DDGD	
Cc1onc(-c2ccc(F)cc2)c1C(=O)N1CC[C@H](B(O)O)C1	864234140	NOVWRHPIWMYVKO-NSHDSACASA-N	318.113	1.478	50	20	DDGD	
COC(=O)COCCNC(=O)/C(C#N)=C/c1ccc(F)cc1	862952354	IGJBCHHIHRTYPQ-XYOKQWHBSA-N	306.293	1.038	50	20	DDGD	
CC(=NNC(=O)c1cn[nH]c1)c1cccc(OCCN(C)C)c1	863154676	ILMIYFOGOZLWJL-UHFFFAOYSA-N	315.377	1.504	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C1CCC[C@@H](C2CC2)C1	763192508	GJRBWMCPYMTMCB-CYBMUJFWSA-N	314.389	1.884	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@H]1CCCc2c[nH]nc21	866973546	ABTFYNCIECCREI-JTQLQIEISA-N	305.831	1.972	50	20	DDGD	
Cn1c(C=NNC(=O)c2cnccn2)nc2ccc(Cl)cc21	763354006	KOUYKEIGYZEDHZ-UHFFFAOYSA-N	314.736	1.781	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)NCc1ccon1	763530339	KLKDUMBZAHGEKA-UHFFFAOYSA-N	322.346	1.003	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@H]1CCO[C@]2(CCSC2)C1	768526974	RJDWZZFREDOUFA-IINYFYTJSA-N	315.439	1.418	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1ccc(F)c(Cl)c1	768494574	OECWXVDOSIJILZ-UHFFFAOYSA-N	309.750	1.334	50	20	DDGD	
CC[C@H](C)CC[C@@H](O)Cc1nc(-c2cccc(B(O)O)c2)no1	867055453	HWAOBCUJKMJENT-SMDDNHRTSA-N	318.182	1.146	50	20	DDGD	
O=C(NNc1ncc(F)cn1)C(F)(F)c1ccc(F)cc1	760906807	JWDBIVPYYPSLML-UHFFFAOYSA-N	300.215	1.990	50	20	DDGD	
CC[C@H]1CCCC[C@H]1OCC(=O)NNC(=O)Cc1cc(C)[nH]n1	869014850	BXJLDOKHBUBIBZ-GXTWGEPZSA-N	322.409	1.393	50	20	DDGD	
Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NNC(=O)C(C)(C)O	768261534	MNKCOWLAKWUHAM-NWDGAFQWSA-N	304.390	1.894	50	20	DDGD	
COc1cc(F)ccc1NC(=O)NNc1nccnc1OC	764613241	AHUHQJBGFDYHAV-UHFFFAOYSA-N	307.285	1.782	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H]2[C@H](C)O[C@H](C)[C@@H]2C)c1O	863861319	QRNUYJFAUDDJEY-WJZNIJOASA-N	322.361	1.221	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CCc2cc(F)c(Cl)cc21	863076393	PZYKZOHEQBBLEU-UHFFFAOYSA-N	311.744	1.770	50	20	DDGD	
CC(C)n1cccc1C(=O)NNC(=O)c1ccc2c(c1)OCO2	763336897	RSFAZKBORRYRGG-UHFFFAOYSA-N	315.329	1.873	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)[C@H](O)CCc1ccccc1	768453443	ZWEHDWRLVPJUFC-CQSZACIVSA-N	305.765	1.594	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@H](C)c1nncn1C	1116888143	USOJMIHCHXDWIU-VIFPVBQESA-N	324.816	1.401	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1scnc1C1CC1	764199977	VRNLTWIBYQVKOM-UHFFFAOYSA-N	324.406	1.543	50	20	DDGD	
O=C(NNc1ccc(Br)nc1)[C@@]1(F)CCOC1	1117419672	RXZCLNCNQXORNB-SNVBAGLBSA-N	304.119	1.416	50	20	DDGD	
CC(=O)N1CCc2c(NC(=O)NNC(=O)CC(C)C)cccc21	769261311	QDIDOTVFXHKLRM-UHFFFAOYSA-N	318.377	1.794	50	20	DDGD	
O=C(NN=Cc1cccc2c[nH]nc12)C(=O)Nc1ccccn1	1116255742	JVCPQYUCVXGMJW-UHFFFAOYSA-N	308.301	1.047	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCOc1ccc(F)c(F)c1	875249409	ZJDLOBKDDBBBJL-UHFFFAOYSA-N	303.265	1.256	50	20	DDGD	
CCN1C[C@@H](C(=O)NNC(=S)Nc2cccc(C)c2)CC1=O	873774473	MVWLNGZFUFGXEM-NSHDSACASA-N	320.418	1.181	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc(Br)c[nH]2)C1	776338080	FJVYYPJYYLIKCB-JGVFFNPUSA-N	314.183	1.974	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)COC(C)(C)C)c1	777882247	PZQRCFXLZNMMIR-UHFFFAOYSA-N	310.350	1.280	50	20	DDGD	
CCCC[C@](C)(F)C(=O)NNC(=O)C(=O)NC(CC)CC	1118627040	QZAFFUFBEAWWOK-AWEZNQCLSA-N	303.378	1.357	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C1(CN(C)C)CC1	873799014	NQGCDKFBFHWTTQ-LLVKDONJSA-N	323.368	1.082	50	20	DDGD	
C=Cn1cc(C=NNC(=O)[C@@H](C)CN2CCCCCC2)cn1	773025048	MRCOIINVCQBMES-AWEZNQCLSA-N	303.410	1.946	50	20	DDGD	
CC(C)CSCCCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	1118125639	XADAYOCXYGCORI-NWDGAFQWSA-N	317.455	1.521	50	20	DDGD	
O=C(COC(=O)C1=CCCCCC1)NNC(=O)c1cccs1	775062128	FTDZFMRTUVRYJH-UHFFFAOYSA-N	322.386	1.943	50	20	DDGD	
CN(C)c1ccncc1C=NNC(=O)c1ccc(Cl)nc1	776185265	FQTIWWJIDMICRG-UHFFFAOYSA-N	303.753	1.960	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1ncc(Cl)s1	1116861659	WPNXJNJHXRBTIJ-UHFFFAOYSA-N	310.766	1.670	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccnn1C1CCCC1	772189628	FRMJPGIKPWDBOC-JTQLQIEISA-N	322.365	1.101	50	20	DDGD	
C=CCOc1cn(-c2ccccc2)nc1C(=O)NN(C)C(N)=O	778414352	BFLZDJKQZPHTGW-UHFFFAOYSA-N	315.333	1.092	50	20	DDGD	
CC(C)n1nccc1NC(=O)C(=O)NNc1cccc(C#N)c1	773688503	DGJHAQRHNHUOIJ-UHFFFAOYSA-N	312.333	1.417	50	20	DDGD	
O=C(NNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccc[nH]1	778220703	ZTMQCCDZDVIAQX-UHFFFAOYSA-N	324.243	1.476	50	20	DDGD	
CC1(OCC(=O)NNC(=O)COc2ccc(C#N)cc2)CCC1	773252042	QNLDNVGVZTUWOA-UHFFFAOYSA-N	317.345	1.044	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc(F)cc1OCC#N	770066855	PDSRAIISCHEFIL-UHFFFAOYSA-N	308.313	1.927	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc([N+](=O)[O-])c(OC)c1	770590836	CFXRGEXSIXORNF-UHFFFAOYSA-N	322.365	1.785	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccccc1-n1cccn1	883061634	AXXPTUPLVVWXQE-UHFFFAOYSA-N	314.345	1.060	50	20	DDGD	
CC(C)COc1ccccc1C(=O)NNC(=O)C1CCOCC1	883063562	TUYAJVXMLSWGIE-UHFFFAOYSA-N	320.389	1.909	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@@H]2CCC[C@H]2OC)n1	774790670	WBJFNSOGFOOQMZ-WDEREUQCSA-N	309.370	1.235	50	20	DDGD	
Cc1cccc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)n1	771927799	DQICFTBFELRRQW-NSHDSACASA-N	307.350	1.129	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C(C)(C)c1ccc(C)cc1	772089263	BJXQVFWTZMFPPV-LBPRGKRZSA-N	320.389	1.762	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)C2CCOCC2)CCc2ccccc21	883071677	JOBMCIKYWHODIL-KRWDZBQOSA-N	302.374	1.465	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1F)[C@@H]1CCCS1(=O)=O	885154096	WTOUNHXWLCZROW-VIFPVBQESA-N	308.281	1.124	50	20	DDGD	
O=S(=O)(CCCCl)N1CCC[C@H](N2CCCC2)CC1	881913097	YWJCAPFVJPJVGW-ZDUSSCGKSA-N	308.875	1.895	50	20	DDGD	
O=S(=O)(CCCCl)NCc1ccc(-n2ccnc2)cc1	881816401	GSROLSPNVWNTTI-UHFFFAOYSA-N	313.810	1.921	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC(N2CCCC2=O)C1	888758706	LLOQHGWPAUEQOC-UHFFFAOYSA-N	324.812	1.186	50	20	DDGD	
O=C(NCC1CCCCCCC1)NNC(=O)c1cccnn1	883167794	HZBBESJJLHBVOU-UHFFFAOYSA-N	305.382	1.781	50	20	DDGD	
Cn1ncc(Cl)c1C=NNC(=O)COc1ccc(C#N)cc1	780196237	NTTOZYFQWYBYQS-UHFFFAOYSA-N	317.736	1.474	50	20	DDGD	
C=C(CBr)n1cc(C[C@@H](O)c2ccccn2)nn1	881315300	BHRBKJRRTHYCTO-GFCCVEGCSA-N	309.167	1.815	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2ccnc(C)c2)c1	789868677	LPKCZDWWHHNISH-UHFFFAOYSA-N	315.329	1.482	50	20	DDGD	
CCO[C@H](CC)C(=O)NNc1nnc(-c2ccccn2)s1	788567260	YIDCJVBHGNAOIE-SNVBAGLBSA-N	307.379	1.858	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H]1CCN1C(C)(C)C	897308932	PPTCYVYQTKHQBG-ZDUSSCGKSA-N	305.378	1.789	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CO[C@H](C)C2)c2ccccc2n1	784147587	YJPGIUCKFFJIOC-VXGBXAGGSA-N	313.357	1.729	50	20	DDGD	
CCN(CCCN1CCCC1)S(=O)(=O)CBr	788918617	YJIFROMGNRJTNP-UHFFFAOYSA-N	313.261	1.476	50	20	DDGD	
C[C@@H](OC(=O)/C(C#N)=C/C1CC1)C(=O)NC(=O)NC(C)(C)C	786676224	QBEZBHWOTMBXPC-MXFUOJGSSA-N	307.350	1.402	50	20	DDGD	
C#CCCCC(=O)NNC(=S)N[C@@H]1CCc2ccccc2C1	899620868	VXUTYWMZODKWSE-OAHLLOKOSA-N	315.442	1.843	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc2nccnc2cc1F	792082929	BYAKVMJAGJOZRF-UHFFFAOYSA-N	303.297	1.123	50	20	DDGD	
CC[C@@H](C)CC[C@H](O)CC(=O)NNc1nc2ccccn2n1	793955430	QVFSBKNXPZILAY-NEPJUHHUSA-N	305.382	1.750	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1c(Cl)cc(F)cc1Cl	797815106	LRESVXJYQZEIKV-UHFFFAOYSA-N	301.126	1.462	50	20	DDGD	
C[C@@H](NC(=O)CCc1ccccc1)C(=O)NNC(=O)C1CCC1	799627050	NZCPYDPVVYYDFJ-GFCCVEGCSA-N	317.389	1.071	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)Cc1ncccc1F	792027909	AGVAXVVWQGWPHI-UHFFFAOYSA-N	321.739	1.807	50	20	DDGD	
Cc1ccnc2ccc(C(=O)NNC(=O)Cc3ccncc3)cc12	796908590	WWVQXCKIVSRGHG-UHFFFAOYSA-N	320.352	1.942	50	20	DDGD	
CCc1cccc2c1OCCC2=NNC(=O)[C@H](C)OCCOC	794915838	RHZBNSQAUBULTL-LBPRGKRZSA-N	320.389	1.903	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cn2c(n1)CCCC2	799729849	XFUWKRCKHXCZDB-UHFFFAOYSA-N	300.366	1.890	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@H](C)N2CCCCC2)n1	792893147	LSUOMCGXWIVXRE-ZDUSSCGKSA-N	319.409	1.208	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)O1	1319246477	TVIDWTOJJYAPNS-SKDRFNHKSA-N	306.366	1.007	50	20	DDGD	
CO[C@]1(C)C[C@@H](N[C@@H](C)C(=O)NNC(=O)CC(C)C)C1(C)C	1327999375	FWAXPPOTGQAOBY-HWWQOWPSSA-N	313.442	1.362	50	20	DDGD	
O=C(NNc1cncc(Br)c1)[C@H]1CCCOC1	1335988825	MALPNFPJGHOELZ-QMMMGPOBSA-N	300.156	1.714	50	20	DDGD	
CCN(CCO)NC(=O)CCc1nc(-c2ccccc2)no1	1330261747	OVFNCANOQWHJMS-UHFFFAOYSA-N	304.350	1.015	50	20	DDGD	
Cc1c(C(=O)NNc2ccn(C)n2)cnn1-c1ccccc1F	1256185590	WAJVHRMBOGUNMS-UHFFFAOYSA-N	314.324	1.810	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H](C)c1ccc(F)cc1F	1339479654	MIAIOCJALGEKIJ-MRVPVSSYSA-N	301.362	1.972	50	20	DDGD	
Nc1cnnc(NNC(=O)/C=C/c2ccc(O)c(O)c2)c1Cl	1337414578	QKGIOGMRADPIGD-DUXPYHPUSA-N	321.724	1.280	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cccc(CCl)c1	1337154704	AZGBBXQCPDJONP-UHFFFAOYSA-N	317.867	1.897	50	20	DDGD	
COc1cc(C=NNC(=O)c2cccnn2)c2c(c1)C[C@@H](C)O2	1330908067	LQGLBSURLMIPJR-SNVBAGLBSA-N	312.329	1.573	50	20	DDGD	
CC(C)(C(=O)NNc1nncc(N)c1Cl)N1CCCCC1	1333252220	AUGOHWPVQCBUOO-UHFFFAOYSA-N	312.805	1.420	50	20	DDGD	
Cn1cc([C@@H]2CN(C(=O)C3CCC(Cl)CC3)CCN2)cn1	1350133633	DLKLABFAHSMFJC-UBHUBRDASA-N	310.829	1.691	50	20	DDGD	
Cn1cc(NC(=O)NNc2ncncc2Cl)cc1C(=O)O	1600965487	DLCRMEHMNZEARG-UHFFFAOYSA-N	310.701	1.315	50	20	DDGD	
Cc1ccnc(CNC(=O)NNc2ccc(CC(=O)O)cc2)c1	1600601866	XWCDNZDXJYDSOT-UHFFFAOYSA-N	314.345	1.843	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)O)C[C@@H]23)n1	1607632033	FJXCUXAUFAXQLR-KXNHARMFSA-N	319.365	1.219	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H](CC(F)F)C(=O)O	1601046388	UFLDSJDENWBMAC-NKLKJHRZSA-N	310.256	1.524	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2Cc3cc(F)ccc3O2)nc1	1602384537	IBDQXNSTONGAPI-GFCCVEGCSA-N	317.276	1.366	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@H](C(=O)O)c2cccs2)cn1	1600947836	VZUSELQSFMBUEX-DJTWPOEFSA-N	316.342	1.331	50	20	DDGD	
CCc1[nH]c(C(=O)NNC(=O)c2ccoc2)c(C)c1C(=O)O	1605766978	HFULUFUNSCOOJT-UHFFFAOYSA-N	305.290	1.252	50	20	DDGD	
O=C(CCl)N[C@@H](C(=O)O)c1ccc(Br)cc1	1608324692	VSVPFQBYMVDSFK-SECBINFHSA-N	306.543	1.930	50	20	DDGD	
Cc1cc(CCC(=O)NNc2ccc(C(=O)O)c(F)c2)no1	1607637879	LRKRTIFYBPGYNP-UHFFFAOYSA-N	307.281	1.896	50	20	DDGD	
COc1ccc2nc(NNC(=O)[C@H](OC)C(=O)O)c(C)cc2c1	1604851378	MRTIBCRVWKCIRM-LBPRGKRZSA-N	319.317	1.095	50	20	DDGD	
CCCC(=O)NCC(=O)NNc1ccc(C(=O)O)c(Cl)c1	1609952742	SFMRJNZONJUMOQ-UHFFFAOYSA-N	313.741	1.398	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NC1(C(=O)O)CCOCC1	1601045797	KAUQZHWWTMXYFC-XFXZXTDPSA-N	316.313	1.049	50	20	DDGD	
O=C(O)c1coc(C(=O)NNc2nc(-c3ccccc3)no2)c1	1608986345	GMEWRRZDKVOMDO-UHFFFAOYSA-N	314.257	1.785	50	20	DDGD	
CCC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](F)Cl)sc2C1	1817117043	HHXDZCKFCDHVPC-QUBYGPBYSA-N	319.789	2.000	50	20	DDGD	
Cn1c(=NNC(=O)[C@@H]2CCC[C@@H](N)C2)sc2ccccc21	1579939905	GQWVWAQWLAYWEU-GHMZBOCLSA-N	304.419	1.689	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@@H](C)C(=O)O)cc2C1	1589364878	BTCATKYPJRJRGI-HTQZYQBOSA-N	310.375	1.355	50	20	DDGD	
CC[C@H](NC(=O)NNc1cccc(C(=O)O)c1)c1noc(C)n1	1595252332	JFPSQGPEYMLVIJ-NSHDSACASA-N	319.321	1.854	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CCCC2)cc(-c2nn[nH]n2)n1C	1591815944	DUYVVHOZEMISHB-GHXNOFRVSA-N	311.349	1.043	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)COC)C2	1841667846	WODZKTHQHOWAKF-LLVKDONJSA-N	302.802	1.244	50	20	DDGD	
COC(=O)N(C)N=C(C)c1ccc(-c2nn[nH]n2)cc1Cl	1591272494	JJZFCKOWPMWTHN-UHFFFAOYSA-N	308.729	1.942	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1ccc(F)c(C(=O)O)c1)C1CC1	1599049429	KAWSFDXJHNZGBA-LBPRGKRZSA-N	311.313	1.575	50	20	DDGD	
O=C(O)C1(C(=O)NNc2ccc(F)cc2F)CCOCC1	1594866986	FRIQTCKYYWYQSD-UHFFFAOYSA-N	300.261	1.289	50	20	DDGD	
C[C@H]1SCC[C@@H]1NC(=O)NNc1cccc(-c2nn[nH]n2)c1	1590334859	CACNHNWOQHSHPG-KCJUWKMLSA-N	319.394	1.387	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc(C(=O)O)c1F)c1cnn(C)c1	1593102436	RVKPKUSTQAPRTQ-MRVPVSSYSA-N	321.312	1.645	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NN=Cc1cc(C#N)ccc1C(=O)O	1776102556	SFTAIJRIRFFQGU-OLZOCXBDSA-N	301.302	1.132	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1ccc(C(=O)O)c(O)c1	1776120650	PNPBQTZOTIVSBD-WQLSENKSSA-N	318.329	1.540	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)c1ccc(C(=O)O)cc1	1776101259	YUQGTFSRDBBLHY-LBPRGKRZSA-N	303.318	1.159	50	20	DDGD	
C[C@H](Oc1ccc(C=NNC(=O)c2cnsn2)cc1)C(=O)O	1776104969	INDNAIYQMDCRDN-QMMMGPOBSA-N	320.330	1.154	50	20	DDGD	
CC(=O)Nc1ccc(C2(NC(=O)[C@@H](O)CCl)CCC2)cc1	1787812311	GQXYHRGPWPSREX-ZDUSSCGKSA-N	310.781	1.740	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cccc(N(C)C)c1	17250740	JPKQLDADEUJQSA-UHFFFAOYSA-N	313.357	1.836	50	20	DDGD	
CCCCSCCC(=O)NNC(=O)Cn1nc(C)cc1C	158593191	GPYAAMWIFJFSDO-UHFFFAOYSA-N	312.439	1.571	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cnn(Cc3ccccc3)c2)[nH]n1	152968242	DKUFIHABKWONIB-UHFFFAOYSA-N	324.344	1.038	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@@H]1CCN(CC(F)(F)F)C1	153876574	QOPIWQJAWSIOAY-SECBINFHSA-N	322.780	1.561	50	20	DDGD	
CS[C@@H](C)CC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	155465473	IAPCMUSHAKKCQA-UWVGGRQHSA-N	314.382	1.882	50	20	DDGD	
CC1(C)C(=O)NCCN1S(=O)(=O)c1ccc(CCl)cc1	312362263	ONIVSSDQGCNDGF-UHFFFAOYSA-N	316.810	1.325	50	20	DDGD	
Cc1cc(C)c(OCC(=O)NNC(=O)c2ccc[nH]2)c(C)c1	6991193	QEFLCWTZPFRZOG-UHFFFAOYSA-N	301.346	1.780	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)c1ccc2[nH]nnc2c1	57691910	FUQOFWRYEGXQDM-UHFFFAOYSA-N	323.356	1.742	50	20	DDGD	
C#CCNC(=O)NNC(=O)c1ccc(COc2ccccc2)o1	9796276	XOYBQUFTCZLUNC-UHFFFAOYSA-N	313.313	1.436	50	20	DDGD	
O=C(NNc1cccnn1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2	179265630	OBBSINJKBOSZNE-RTXFEEFZSA-N	303.366	1.450	50	20	DDGD	
Cc1ccc(NNC(=O)NCC(C)(C)N2CCCCC2)nn1	106256143	RKLORDAVEAKQQH-UHFFFAOYSA-N	306.414	1.676	50	20	DDGD	
CCNC(=O)NNC(=O)c1nc(C2CC2)n(-c2ccccc2)n1	102340097	CFHLSTAJVPDXJY-UHFFFAOYSA-N	314.349	1.109	50	20	DDGD	
CCNC(=O)NNC(=O)/C(C#N)=C\c1ccc(OCC)cc1	65190150	SJSHSXKFRGBABA-XFXZXTDPSA-N	302.334	1.343	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)CC[C@@H]1CCOC1	177119737	BEFJOORVMJRWOW-OAHLLOKOSA-N	304.390	1.973	50	20	DDGD	
C[C@@H](Oc1ccccc1)C(=O)NNC(=O)Cc1ccc(F)cc1	24302716	WHABWSBYEUWALR-GFCCVEGCSA-N	316.332	1.983	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C2=CCCCO2)c1C	174404014	ASTRSFXBISNJFI-ZDUSSCGKSA-N	318.373	1.912	50	20	DDGD	
COc1ccc(CC(=O)NNc2nc(C)cc(OC)n2)cc1	174489401	LUUFQOJSERPIFK-UHFFFAOYSA-N	302.334	1.488	50	20	DDGD	
CC(C)c1nn(C)c2sc(C(=O)NNC(=O)CN(C)C)cc12	175945119	UUEIYUJCPTYMEP-UHFFFAOYSA-N	323.422	1.081	50	20	DDGD	
CC[C@H](OC1CCCC1)C(=O)NNC(=O)Cc1cccnc1	112815244	YWOCQACHJGLEMG-AWEZNQCLSA-N	305.378	1.509	50	20	DDGD	
Cc1c(CNC(=O)NNC(=O)[C@@H]2CCCO2)oc2ccccc12	115835516	QZZASSISNADJLO-ZDUSSCGKSA-N	317.345	1.751	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cccc(-n2cccc2)c1	61527955	GPTQIQCHBPJTBL-UHFFFAOYSA-N	308.341	1.891	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CC2CCCC2)cn1	125894044	IFWWRKMDPWZCRY-UHFFFAOYSA-N	304.350	1.056	50	20	DDGD	
CCN(CC)[C@@H](C(=O)NNC(=O)NC(C)C)c1ccccc1	67271460	RSYHZQRLLCQYSC-CQSZACIVSA-N	306.410	1.808	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H](C)OC[C@H]1CCCCO1	66308053	GCOCWUMKVYGVOR-ZIAGYGMSSA-N	320.389	1.730	50	20	DDGD	
CCC[C@H](C)CC(=O)NNC(=O)COc1ccc(C#N)cc1	125721408	COZCKBDWCFSBJT-LBPRGKRZSA-N	303.362	1.911	50	20	DDGD	
C[C@@H]1CCN(CCNC(=O)NNC(=O)c2ccc(Cl)cc2)C1	1352096687	HIQDUHOYVSNJQG-LLVKDONJSA-N	324.812	1.626	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1ccc(F)cc1F	78193668	LUCYAFGEWRWVRV-UHFFFAOYSA-N	320.295	1.943	50	20	DDGD	
CC(C)NC(=O)CCNC(=O)/C(C#N)=C\c1ccc(O)cc1	188200173	KEVFTGWJNCXHQD-LCYFTJDESA-N	301.346	1.330	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccc(-n2ccnn2)c1	123110940	LBIVPLGIJGHZOB-UHFFFAOYSA-N	302.338	1.011	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Nc2cccn(C)c2=O)cc1	185988999	CFFTVDMHNVURFI-UHFFFAOYSA-N	314.345	1.414	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Nc2ccnc(C)c2)c1	183437244	BSIXNHMVKRLFKY-UHFFFAOYSA-N	314.345	1.930	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2nc(C)sc2C)n1	120590139	QPZOLCXOOOXYLA-UHFFFAOYSA-N	307.379	1.553	50	20	DDGD	
COc1cccc(NNC(=O)c2cnn(-c3ccccc3)n2)n1	180680315	FLBUELSJVAVPHM-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
O=C(NC[C@H]1CCCCO1)NNC(=O)c1cccc([N+](=O)[O-])c1	139812631	INFNUXJQZRKYPX-GFCCVEGCSA-N	322.321	1.108	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCC2(C3CC3)CC2)c1	133088378	ITMVRIXJXWZODF-UHFFFAOYSA-N	317.389	1.894	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cc1cc(F)ccc1F)C1CC1	83676809	TVYYILRGEFHGCB-MRVPVSSYSA-N	313.373	1.801	50	20	DDGD	
CCc1ncc(NC(=O)C(=O)NNc2ccc(F)cc2F)cn1	131250448	NTCFWZNWMMQBML-UHFFFAOYSA-N	321.287	1.399	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccc(OC(F)F)c1	41961922	FUYZKPWQZHFCJK-UHFFFAOYSA-N	301.318	1.583	50	20	DDGD	
O=C(CCc1c[nH]cn1)NNC(=O)Cn1ccc2ccccc21	193171625	UORGWAGQPQNFEW-UHFFFAOYSA-N	311.345	1.145	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)NC1CCN(C2CC2)CC1	45410301	VFCHTXSANNFUEM-UHFFFAOYSA-N	320.368	1.397	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(OC(F)F)cc1	139676363	FSKXQOVDTGCBGG-UHFFFAOYSA-N	317.292	1.269	50	20	DDGD	
Cc1ccnc(NNC(=O)CNC(=O)Cc2cccc(F)c2)c1	88423156	LKZOIVSFMQJSAN-UHFFFAOYSA-N	316.336	1.331	50	20	DDGD	
ICCN1CCC[C@H](Cn2ccnn2)C1	191005164	IOKGFTRHRDJREY-JTQLQIEISA-N	320.178	1.425	50	20	DDGD	
COc1ccc(-c2cc(C(=O)NNC(=O)C(C)(C)C)[nH]n2)cc1	97044820	BTGHBWMIUKDZCJ-UHFFFAOYSA-N	316.361	1.892	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccn(C)c2)c1C	268621951	VEMYOSOWNYDDJR-ZDUSSCGKSA-N	315.373	1.870	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C2(NC(C)=O)CCCCC2)n1	266953685	SGNQUJVHPYMBQQ-UHFFFAOYSA-N	321.381	1.076	50	20	DDGD	
CC(C)CC1(C(=O)NNC(=O)C(=O)Nc2ccccn2)CCC1	268316939	ZJZWJLBWVUTQMM-UHFFFAOYSA-N	318.377	1.384	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc(NC(=O)CC(C)C)c(C)c1	266019731	BKIWUDQGMKVFPN-UHFFFAOYSA-N	306.366	1.553	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H]1CCCSC1	267319133	NKMYSLSJWWRILN-SNVBAGLBSA-N	309.391	1.535	50	20	DDGD	
C[C@H](NC(=O)NNc1cncc(Cl)n1)c1nnc2n1CCC2	264508404	HCQYTBAINJWRKL-ZETCQYMHSA-N	322.760	1.055	50	20	DDGD	
CC(C)OC[C@@H]1CN(S(=O)(=O)CCCCCl)CCO1	364153816	ATXJWCMCPLIILI-LBPRGKRZSA-N	313.847	1.461	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1nc2c(s1)CCCC2	279372356	JBNSIUUUNIFUCC-UHFFFAOYSA-N	324.406	1.154	50	20	DDGD	
C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1CC=C(C#N)CC1	272566501	CNKLUJREDBBPDH-LBPRGKRZSA-N	310.357	1.516	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2cnc(C)s2)nc1C	272209926	RJTVASYQDKNREI-UHFFFAOYSA-N	321.362	1.484	50	20	DDGD	
C[C@@H]1C[C@@H](CNC(=O)NNC(=O)c2ccccc2O)CCO1	271580718	QWMISLNQYPJVDH-MNOVXSKESA-N	307.350	1.151	50	20	DDGD	
CCCOc1cccc(NC(=O)C(=O)NN(C)C(=O)NCC)c1	276341388	YNGJQRFQMBKAAO-UHFFFAOYSA-N	322.365	1.106	50	20	DDGD	
Cc1nc(C)n(-c2ccccc2NC(=O)NNC(=O)C2CC2)n1	274165899	VSNMSFIPWUSWCE-UHFFFAOYSA-N	314.349	1.447	50	20	DDGD	
CCC1(C(=O)NNc2nc(-c3cccnc3)no2)CCOCC1	272289906	JNWVICPYZKNLMX-UHFFFAOYSA-N	317.349	1.782	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)Nc1ccccc1	283656113	DQQLJYCYAOTGFV-UHFFFAOYSA-N	322.365	1.754	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	294607650	ZQTLEBDZAGIIKD-LBPRGKRZSA-N	308.334	1.034	50	20	DDGD	
O=C(NNc1ncncc1F)[C@H]1CCCN1Cc1ccccc1	293950145	IYOGUVPTNIDYGV-CQSZACIVSA-N	315.352	1.723	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1F)c1cn(C)c(C)n1	800806087	OPRVILKNINYYQW-UHFFFAOYSA-N	304.325	1.787	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)O1	294092786	CYRFAEFSYVEKHO-ZMZKGCHWSA-N	324.327	1.783	50	20	DDGD	
Cn1nnc2cc(C(=O)NNC(=O)Nc3ccccc3)ccc21	801991516	MLFNLWYQYJOGOT-UHFFFAOYSA-N	310.317	1.435	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)C1CCN(CC(F)F)CC1	806723452	AITWEFUQVJRQGE-UHFFFAOYSA-N	317.380	1.691	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H](C)C(=O)N(C)CC)cc1	298143382	AOGWHHPCCHLRQT-NSHDSACASA-N	308.382	1.578	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C23CCC(CC2)C3)cc1	801111593	TYKOGVQTHVLMCL-UHFFFAOYSA-N	315.373	1.661	50	20	DDGD	
CC(C)C(=O)NN=C1C(=O)N(CCN(C)C)c2ccccc21	807953971	CWIXVSNJCOLGGU-UHFFFAOYSA-N	302.378	1.071	50	20	DDGD	
CC1(C)CC[C@H](NC(=O)NNc2ccc(-n3ccnc3)nn2)C1	805250318	AVHZZRBDQFPBPI-NSHDSACASA-N	315.381	1.867	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Nc1ccc(Cl)cc1)n1cccn1	802019397	FGKAEICXJMESSS-VIFPVBQESA-N	307.741	1.950	50	20	DDGD	
N#Cc1ccc(CNS(=O)(=O)CBr)cc1Cl	800965983	VSAIKCHOQRJHQQ-UHFFFAOYSA-N	323.599	1.983	50	20	DDGD	
CNC(=O)Cc1ccc(NC(=O)NNc2ncccc2F)cc1	806188332	TYXKQPJWQNESNF-UHFFFAOYSA-N	317.324	1.658	50	20	DDGD	
CCc1noc(NC(=O)NNc2ccc([N+](=O)[O-])cc2C)n1	296802207	PKVPJNOKYALFJR-UHFFFAOYSA-N	306.282	1.997	50	20	DDGD	
N#C[C@@]1(C(=O)NNc2cc(Cl)nc(N)n2)CC12CCCC2	295108917	VCDCSTCIQYYIRP-CYBMUJFWSA-N	306.757	1.629	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ncoc1C1CC1	294142284	QKVUJTFOEFFZCC-UHFFFAOYSA-N	301.302	1.635	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNc1ccncn1)c1ccc(F)cc1	296356027	JADZIGIISGRXPF-CYBMUJFWSA-N	318.356	1.545	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNC(=O)CSc1ccccc1OC	291400616	IQBRKOQLEDEPDU-HNNXBMFYSA-N	324.402	1.262	50	20	DDGD	
Cn1nncc1NNC(=O)c1cc(-c2ccc(Cl)cc2)on1	816770570	CXSLQTAEYSJBMS-UHFFFAOYSA-N	318.724	1.880	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccn(C(C)C)c1C	815316062	FFDMBSFWLLUXTK-LLVKDONJSA-N	309.366	1.480	50	20	DDGD	
CN(NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C1CC1	819653151	INJIUYLXAQXVCK-UHFFFAOYSA-N	301.306	1.520	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCc2ccc3ccccc3n2)cn1	813456314	CIDUFPJWPQWCNG-UHFFFAOYSA-N	323.356	1.362	50	20	DDGD	
Cc1ncc2n1C[C@H](C(=O)NNc1ccccc1[N+](=O)[O-])CC2	816917809	CGRUAWUOCCDKKZ-LLVKDONJSA-N	315.333	1.805	50	20	DDGD	
Cc1cc(Cl)cnc1NC(=O)C(=O)NNc1ccnc(F)c1	812985370	BDGVUILIQCZVMC-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
Cc1cc2nc(C)c(CCC(=O)NN(C)C3CC3)c(C)n2n1	819642979	UPOZNLNVVPOUAW-UHFFFAOYSA-N	301.394	1.713	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)N=c2cc[nH]cc2)[C@]12CCCO2	819812581	DXQSGXLJUDCAIG-UKRRQHHQSA-N	304.350	1.339	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(S(N)(=O)=O)c(C)c1	728186438	QFZGLIBQOXQQAR-NTMALXAHSA-N	309.347	1.025	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Cc2nn(C)c3ccccc23)n1	817516207	VZKBQRJIOMMNJO-UHFFFAOYSA-N	310.361	1.666	50	20	DDGD	
CCC(=NNC(=O)C(=O)NC1CC1)c1ccc(OC)c(OC)c1	725852345	XXSJNVLBZQMWSI-UHFFFAOYSA-N	319.361	1.213	50	20	DDGD	
CC1(C)CCC(=CC(=O)NNC(=O)CN2CCCC2=O)CC1	827831790	HKCRQACIYWTZCY-UHFFFAOYSA-N	307.394	1.283	50	20	DDGD	
Cc1nn(CC(F)F)cc1C(=O)NN[C@H](C)C(F)(F)F	826941437	JGJAVPPWCMGFSS-ZCFIWIBFSA-N	300.231	1.642	50	20	DDGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2ccn(C)n2)cc1	490810520	AIXKNTUFKJGSGR-XFXZXTDPSA-N	309.329	1.924	50	20	DDGD	
CC(=NNC(=O)Cc1nc(C)cs1)c1cc(O)ccc1O	725857444	LTULOZDHDLUEEC-UHFFFAOYSA-N	305.359	1.946	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=C[C@@H]1CCCSC1	495610259	BYNBINXFGMPAHJ-JTQLQIEISA-N	301.412	1.756	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1ccc2nc[nH]c2c1	728076272	YKJBMOZNOKQNCM-UHFFFAOYSA-N	321.300	1.765	50	20	DDGD	
N#Cc1cccc(C(=O)NN=C2C(=O)Nc3cc(O)ccc32)c1	728781773	YEIDYSWSNYLUGA-UHFFFAOYSA-N	306.281	1.350	50	20	DDGD	
O=C(/C=C\[C@H]1CCOC1)NNC(=O)Cc1ccc(Cl)cc1	493321216	MDOUZGYRJYBMCO-RYBZSIHZSA-N	308.765	1.623	50	20	DDGD	
Cc1ccn(CC(=O)NNC(=O)C(C)(C)c2ccccc2)n1	823208862	NPZPNKWSLOFXIV-UHFFFAOYSA-N	300.362	1.317	50	20	DDGD	
CN(C)CC(=O)NN=Cc1ccc(OC[C@H]2CCCO2)cc1	727647673	BUQMVTXDLFFSFU-OAHLLOKOSA-N	305.378	1.256	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCCCN(C)C2=O)c1	821797823	SKHYWTDLMRCRKO-CYBMUJFWSA-N	319.361	1.175	50	20	DDGD	
CCn1nncc1/C=C(/C#N)C(=O)NCc1ccc(OC)cc1	491132990	OFRLWOLQPNKPIW-JYRVWZFOSA-N	311.345	1.530	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@@H]1CCCC[C@H]1c1cccnc1	584910768	DIPRBRWOMZRAAK-DLBZAZTESA-N	324.189	1.674	50	20	DDGD	
Cc1cc([C@H](C)NCc2cccc(B(O)O)c2)cc(C)c1F	585028360	JTTXPNBYFSNQLT-ZDUSSCGKSA-N	301.170	1.973	50	20	DDGD	
COC(=O)N(C)CC(=O)NNc1ncccc1C(F)(F)F	491475925	BKNVOFOJAOIYKP-UHFFFAOYSA-N	306.244	1.242	50	20	DDGD	
CCn1nccc1NC(=O)NNc1cccc(-c2nn[nH]n2)c1	825806881	IJMSJCIPNLSEBJ-UHFFFAOYSA-N	313.325	1.232	50	20	DDGD	
CS[C@@H]1CCCC(=NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1	901172633	JKSGQUOVPZPOOA-WDEREUQCSA-N	319.452	1.134	50	20	DDGD	
O=C(CC1CCN(CC(F)(F)F)CC1)NN=c1cc[nH]cc1	821787986	AWFOUMSITXRNGT-UHFFFAOYSA-N	316.327	1.611	50	20	DDGD	
Cn1nc(C(=O)NN=c2cc[nH]cc2Cl)c2c1CCCC2	826843717	RTYIXLDUZLJPFN-UHFFFAOYSA-N	305.769	1.526	50	20	DDGD	
COC(=O)N(C)N=C(C)c1ccc(S(C)(=O)=O)c(F)c1	495743758	DLXPPUBRTPFDSE-UHFFFAOYSA-N	302.327	1.651	50	20	DDGD	
CCC(C)(C)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	825038982	LTJDABNDAVTMPA-UHFFFAOYSA-N	309.761	1.794	50	20	DDGD	
CC(C)N1CCN(CCC(=O)NNc2cccc(C#N)c2)CC1	901161778	HFZUORZVVOLAEO-UHFFFAOYSA-N	315.421	1.417	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2C[C@@H]3CCCCN3C2=O)C[C@H]1Br	909569997	IDNFMMOAPJGZFD-WTBMIXGQSA-N	315.211	1.430	50	20	DDGD	
OB(O)c1cccc(CNC[C@H]2CCO[C@@H]2c2ccccc2)c1	585036636	KQYGQXLJKWDZJW-SJLPKXTDSA-N	311.190	1.234	50	20	DDGD	
OB(O)c1ccccc1CNc1ccc2c(c1)[C@@H](O)CCCC2	585047512	QKWDQMCQQIIMAA-SFHVURJKSA-N	311.190	1.738	50	20	DDGD	
CC(C)CC1(C)CCN(C(=O)c2cccc(B(O)O)c2)CC1	584991258	CVIBIPZFKMBOJG-UHFFFAOYSA-N	303.211	1.655	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(O)(C(=O)NNc2ccccc2)C1	496789492	DMZWXHLCURRSFL-UHFFFAOYSA-N	307.350	1.112	50	20	DDGD	
COc1ncc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)cn1	733949793	XTEHJGBQYZVDSP-UHFFFAOYSA-N	320.736	1.142	50	20	DDGD	
COC(=O)CCCC(=O)NNc1ccc(C(=O)OC)c(F)c1	839788191	AZVDZKUGEUIXQE-UHFFFAOYSA-N	312.297	1.399	50	20	DDGD	
CC[C@@H](CNC(=O)NNc1cccc(Br)n1)OC	838596363	DRMQHVJAHBJSQS-QMMMGPOBSA-N	317.187	1.895	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cc(F)c(F)cc1F	831436869	NAKSEOGMQGVSCG-RQJHMYQMSA-N	317.267	1.682	50	20	DDGD	
CCO[C@@H]1COC[C@H]1NC(=O)NNc1cccc([N+](=O)[O-])c1	838719210	KJXINDCWFJVAFH-VXGBXAGGSA-N	310.310	1.025	50	20	DDGD	
CC(C)C(=O)Nc1nc(CC(=O)NNc2cccnn2)cs1	736698626	KSLLSLHYWKKKFE-UHFFFAOYSA-N	320.378	1.213	50	20	DDGD	
Cc1nn2cccnc2c1C(=O)NN(C)C(=O)OC(C)(C)C	838366335	VBJORGWQSNWFTI-UHFFFAOYSA-N	305.338	1.549	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)[C@H](C)c1cccc(O)c1	732203808	IWOBKDFYVZAYCO-CHWSQXEVSA-N	321.421	1.967	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2csc(N3CCOCC3)n2)[C@@H](C)O1	834929079	WOOZDEUGLVUEDI-NXEZZACHSA-N	324.406	1.263	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2cc(F)ccc2Br)C1	839881411	NXYCXCMGGLMFSZ-MRVPVSSYSA-N	316.174	1.983	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)ccc1[N+](=O)[O-]	831616794	PSWYCWFDJCOFQS-KOLCDFICSA-N	322.321	1.481	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1CCCC12CCCCC2	584967913	OJDDEBYLXSAODK-UHFFFAOYSA-N	305.158	1.444	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@@H]1CC[C@@H](C)O1	838743949	HOSKCUPZICZPNX-MNOVXSKESA-N	307.350	1.207	50	20	DDGD	
CCO[C@H](CC)C(=O)NNC(=O)CNc1cccc(OC)c1	839482448	BZMRAHPSTSWFHK-CYBMUJFWSA-N	309.366	1.070	50	20	DDGD	
CCS(=O)(=O)CCCNC(=O)[C@@]1(C)C[C@@H]1Br	910543695	VREZRWMHZZNXHR-WPRPVWTQSA-N	312.229	1.101	50	20	DDGD	
CC(C)N(CC(=O)NNC(=O)c1ccc(C#N)cc1)C1CCC1	839519499	IMQZGWSELVVETE-UHFFFAOYSA-N	314.389	1.582	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)Cn2nc(C)cc2C)cc1	916345155	MRXIGHVLZWQSGB-UHFFFAOYSA-N	314.345	1.437	50	20	DDGD	
CCCOc1cccnc1C(=O)NNC(=O)[C@@H]1CCCCO1	833243343	QQLUPNCQSNVHBX-LBPRGKRZSA-N	307.350	1.201	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=Cc2ccc(C(N)=O)cc2)cc1	915944099	NLHAAGDMYWDQQR-UHFFFAOYSA-N	322.324	1.186	50	20	DDGD	
Cc1nnc(NNC(=O)C2(c3ccc(F)cc3)CCC2)nc1O	749524574	XUIKGNSINFBDFM-UHFFFAOYSA-N	317.324	1.590	50	20	DDGD	
CCn1cncc1C=NNC(=O)[C@@H](C)CN1CCC(C)CC1	841615119	WHTJQXSYAOOXHM-AWEZNQCLSA-N	305.426	1.721	50	20	DDGD	
C[C@H](CN)CNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	841963868	WQNWKABJQULQJW-GYPVXTSCSA-N	308.426	1.128	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2ccc(O)c(O)c2O)c1	915928651	NFIUNVULKNFQPT-UHFFFAOYSA-N	316.313	1.641	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1CC(=O)NNC(=O)NCCc1cccs1	746166906	KNRWWGXQELQSFI-TXEJJXNPSA-N	324.450	1.494	50	20	DDGD	
CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)NCC1CC1	749357777	ZAVSWKRGMZGFHI-CQSZACIVSA-N	305.378	1.893	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)CCc2cnc[nH]2)c1	843870034	LRRCNAPQUOMLTG-UHFFFAOYSA-N	316.365	1.579	50	20	DDGD	
CC(=NNC(=O)c1cccnc1)c1ccc(O)c([N+](=O)[O-])c1	749603653	KTZXGWDSXQGVIS-UHFFFAOYSA-N	300.274	1.849	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NNC(=O)CCc1ccccc1	746189752	CEQDYFPETQLIRA-ZIAGYGMSSA-N	303.406	1.639	50	20	DDGD	
Cc1nnc(O)c(C(=O)NNc2cccc([N+](=O)[O-])c2C)c1C	748665613	GWWGMWDTVIMKFV-UHFFFAOYSA-N	317.305	1.773	50	20	DDGD	
NCC[C@@H](NC(=O)NNc1ccc([N+](=O)[O-])cc1)C(F)(F)F	841332940	KABMDJPNCMXTGU-SECBINFHSA-N	321.259	1.501	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)c1ccc(C#N)cc1)CC(C)C	841582914	QQEYRODRNJACDB-AWEZNQCLSA-N	318.377	1.563	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2cc3c(s2)CCC3)cnn1C	915619759	MYHWPGSURWNTCF-UHFFFAOYSA-N	318.402	1.608	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1n[nH]c2cc(C(=O)O)ccc12	842560953	IFSCIUITFFRRFZ-WPRPVWTQSA-N	316.317	1.136	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)COc1cc(C)ccc1C	749757029	LRPCEPPEPKYKFY-LBPRGKRZSA-N	309.435	1.976	50	20	DDGD	
COc1ncccc1NC(=O)NNC(=O)c1ccccc1O	918541182	JROVBIZEOWPSGG-UHFFFAOYSA-N	302.290	1.262	50	20	DDGD	
CC(C)(CNC(=O)NNc1ncncc1F)c1cccnc1	841588835	GKARITCQDGMWGD-UHFFFAOYSA-N	304.329	1.615	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cc2ccsc2[nH]1	918707313	UGGXQPPNNZGLJZ-UHFFFAOYSA-N	306.269	1.736	50	20	DDGD	
CCOc1cc(C=NNC(=O)N2CCOCC2)ccc1OC	745590978	MYVHLOHQJIGYBA-UHFFFAOYSA-N	307.350	1.470	50	20	DDGD	
Cc1[nH]nc(C(=O)NNC(=O)C(C)(C)C)c1Br	919748136	WSFPEJBGMONKFJ-UHFFFAOYSA-N	303.160	1.288	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@@H](OC)C(F)(F)F)c1	845929497	UWSFTGOSJRYWLU-SNVBAGLBSA-N	320.267	1.884	50	20	DDGD	
CC(=NNC(=O)c1cccc(S(C)(=O)=O)c1)[C@H]1CCOC1	741760664	ACODUTBDRWTTKK-LBPRGKRZSA-N	310.375	1.232	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@H]1CCCN2CCCC[C@@H]12	847441790	CSDJPDAZBLTUDY-KBPBESRZSA-N	308.426	1.524	50	20	DDGD	
COCCN1C[C@H](C(=O)NNc2c(C)cc(C)cc2C)CC1=O	743765165	YEJDMKWPFRKHCI-CQSZACIVSA-N	319.405	1.550	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1ccc([N+](=O)[O-])[nH]1	749848470	OFYXHUYZIDRZSQ-UHFFFAOYSA-N	302.290	1.317	50	20	DDGD	
COCC1(CC(=O)NNC(=O)CNc2ccc(C)cc2C)CC1	844129351	YFYFJBDKEDLGGD-UHFFFAOYSA-N	319.405	1.679	50	20	DDGD	
C[C@H](Oc1cccc(C=NNC(=O)c2cnccn2)c1)C(=O)O	746682766	QFBRRHCCKNVURD-JTQLQIEISA-N	314.301	1.092	50	20	DDGD	
C[C@H](CNC(=O)NNc1ccc(OC(F)F)cc1)C(=O)O	848585976	QDWCDMMTLFOSRX-SSDOTTSWSA-N	303.265	1.635	50	20	DDGD	
CC(C)Oc1cncc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	843663820	YNPXFFQQUXURQN-ZWNOBZJWSA-N	307.350	1.055	50	20	DDGD	
C[C@@H](Cc1cnc[nH]1)C(=O)NNC(=O)Cc1ccc(Cl)cc1	847291217	KZEKXEWTAANAPF-JTQLQIEISA-N	320.780	1.632	50	20	DDGD	
Cc1cc(C)c2c(c1)OCCC2=NNC(=O)N1CCOCC1	745591440	AAHAOEIBACSBQI-UHFFFAOYSA-N	303.362	1.832	50	20	DDGD	
O=S(=O)(CCCCl)N1CCC(Nc2ccccn2)CC1	920615555	MBEAUFUMMDJUQZ-UHFFFAOYSA-N	317.842	1.917	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(F)cc1Cl)c1ncnn1C	922156965	ROTRYRYMYLSUOM-SSDOTTSWSA-N	312.736	1.995	50	20	DDGD	
CO[C@H]1CN(C(=O)NC[C@@]2(C)C[C@H]2Br)C[C@H]1OC	856956198	VODXPOJIUYXWJW-DTHBNOIPSA-N	321.215	1.215	50	20	DDGD	
C[C@]1(CNC(=O)NC2CCC(N)CC2)C[C@@H]1Br	857103187	DLVADPABOWFEMQ-ILDFIYDHSA-N	304.232	1.729	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNc1ccc(C)c(C(=O)OC)c1	857266553	DLDPHJUZHCPCBQ-SNVBAGLBSA-N	308.334	1.424	50	20	DDGD	
Cn1cncc1C=NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	755788559	GFUQKTPXHXYPLV-UHFFFAOYSA-N	312.308	1.713	50	20	DDGD	
C[C@@H]1CCCN1S(=O)(=O)NC[C@]1(C)C[C@H]1Br	856754895	PGRICKHAPHAOAS-BBBLOLIVSA-N	311.245	1.479	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)[C@@H]1CC(=O)N(C2CCCC2)C1	855469897	WKTXSVXLGZGVHT-SNVBAGLBSA-N	322.796	1.969	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1nccc2[nH]ccc12	855087746	POVLBDPVXUDANN-UHFFFAOYSA-N	303.391	1.472	50	20	DDGD	
CCC[C@H](C(=O)NNc1ccc(C)cc1Cl)S(N)(=O)=O	854843080	INXSDQGCHIWQJK-LLVKDONJSA-N	319.814	1.549	50	20	DDGD	
O=C(NN=C1CCc2ccccc2C1)N[C@H]1CCS(=O)(=O)C1	920383158	CBHPNJUBUFYKPV-AWEZNQCLSA-N	321.402	1.018	50	20	DDGD	
N#C[C@]1(C(=O)NNC(=S)NCC2CCC2)CC12CCCC2	855087077	DNWJQAZFJCURRG-HNNXBMFYSA-N	306.435	1.756	50	20	DDGD	
CCc1nn(C)c(CC)c1C=NNC(=O)NCC(F)(F)F	755660859	IEHSUHDBZSWNSC-UHFFFAOYSA-N	305.304	1.740	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNC(=O)c1ccc2ccccc2c1	920453510	AXCOFWUBXLFPEV-NSHDSACASA-N	313.357	1.516	50	20	DDGD	
CC(C)(O)CCNC(=O)NNc1ccc([N+](=O)[O-])cc1F	854006771	NLMYANCNUWNXCM-UHFFFAOYSA-N	300.290	1.521	50	20	DDGD	
CNC(=S)N(C)NC(=O)Cc1ccc(Br)cc1	854929943	YEUXHYRHMAFPAX-UHFFFAOYSA-N	316.224	1.459	50	20	DDGD	
Cn1c(C(=O)NNC(=O)c2cccc(Cl)c2)ccc1[N+](=O)[O-]	754788787	NMVMDHOFFIUAIK-UHFFFAOYSA-N	322.708	1.662	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1ccc2c(c1)OCO2)c1ccco1	858121629	JLHRWSIDUSEFGG-JTQLQIEISA-N	316.313	1.963	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)CCCF)cc1OC	854237590	ZIUPUPZKKYAPLM-UHFFFAOYSA-N	312.341	1.995	50	20	DDGD	
C[C@@]1(CNC(=O)CCCCNC(N)=O)C[C@H]1Br	857402894	GMESOMFMUPWJJO-KCJUWKMLSA-N	306.204	1.115	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(Br)cnc1F	858809353	VQQUPHXAOQTJNS-UHFFFAOYSA-N	319.134	1.337	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NC[C@@H]1CSCCS1	756061992	OXHKICKQRLNJKU-SECBINFHSA-N	305.469	1.602	50	20	DDGD	
C[C@@H](C(=O)NNc1nc(O)c2ccccc2n1)c1cnn(C)c1	758309181	PIVDFFXWVYGRJE-SECBINFHSA-N	312.333	1.316	50	20	DDGD	
CN(C[C@H]1COCCO1)C(=O)/C(C#N)=C\c1ccc(F)cc1	855678337	HPEMUGZDPCBHGA-ODDCISTRSA-N	304.321	1.606	50	20	DDGD	
C[C@@]1(CNC(=O)CCCCCNC(N)=O)C[C@@H]1Br	857401644	GKLDKPNDHICZRT-CABZTGNLSA-N	320.231	1.505	50	20	DDGD	
C[C@@H]1COCCN(C(=O)NC[C@]2(C)C[C@@H]2Br)C1	856953343	KMUJXUXQPRRSCG-NHCYSSNCSA-N	305.216	1.838	50	20	DDGD	
CC1(C)CC(=NNC(=O)Cc2cc(O)nc(S)n2)C(C)(C)O1	755892376	NRHDXIDOUPPOOB-UHFFFAOYSA-N	324.406	1.463	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)Cc2cc[nH]n2)c(Cl)c1	755264150	UYNMMYYOMZJXHD-UHFFFAOYSA-N	306.753	1.304	50	20	DDGD	
Cc1cc(=NC(=O)NNC(=O)CCc2ccccc2)c(C)c[nH]1	757811810	ZCHXNIIPIJKHBU-UHFFFAOYSA-N	312.373	1.906	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H]2C[C@H]2C2CC2)c1	751739976	CWLQUBMBZXUDKK-KBPBESRZSA-N	316.357	1.345	50	20	DDGD	
O=C(NNc1cccc2cnccc12)[C@@H]1CN2CCCN1CC2	765014052	GBPBZNSBALBUHT-INIZCTEOSA-N	311.389	1.068	50	20	DDGD	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NNC(=O)C(C)(C)O	768245782	VIBMZUWQTVFXQU-UTUOFQBUSA-N	300.399	1.279	50	20	DDGD	
CCOc1nccc(C)c1C(=O)NNc1cccc(OC)n1	765492597	GEOSQPFBWYIEBB-UHFFFAOYSA-N	302.334	1.949	50	20	DDGD	
CCCCO[C@@H]1CC(=NNC(=O)CS(C)(=O)=O)C1(C)C	863187385	JRIGEHLYWFOQOQ-LLVKDONJSA-N	304.412	1.118	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1cc(F)c(C(=O)O)cc1F	865215510	SAIYLNRSXHZMEP-YHYXMXQVSA-N	324.283	1.723	50	20	DDGD	
C[C@@H](CC(=O)NNc1ncc(F)cn1)NC(=O)OC(C)(C)C	760923105	PPSMSUJTQGKKSN-QMMMGPOBSA-N	313.333	1.362	50	20	DDGD	
COc1ccccc1SCC(=O)NN=C1CN(C)C[C@H]1C	761274996	YITCPXLVDPQNBS-LLVKDONJSA-N	307.419	1.841	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccccc1C[S@](C)=O	930846471	UWXKDHMTBDQCJX-QFIPXVFZSA-N	321.402	1.521	50	20	DDGD	
CS/C=C/C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	762941320	ZIGIEJVLUANUSL-BQYQJAHWSA-N	302.359	1.714	50	20	DDGD	
OB(O)c1ccc(CNc2cccc(Oc3cnccn3)c2)cc1	864019425	AMUWPSZTIDKKHE-UHFFFAOYSA-N	321.145	1.561	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)Cc1cc(C)[nH]n1	869012708	BEUZJADRPIAJIN-UHFFFAOYSA-N	316.361	1.049	50	20	DDGD	
CC(=NNC(=O)CS(C)(=O)=O)c1ccc(C(C)(C)C)cc1	863189082	XZWXGMWFQHZSHC-UHFFFAOYSA-N	310.419	1.869	50	20	DDGD	
COc1cccc(NCC(=O)NN=CC2(OC)CCOCC2)c1	761777749	LQVOBACSJSZSHK-UHFFFAOYSA-N	321.377	1.405	50	20	DDGD	
CN(CC(=O)NNC(=O)CCCc1ccccc1)C1CCC1	863864905	BCMFSMBXXLKKBN-UHFFFAOYSA-N	303.406	1.641	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)COC)c2ncccc12	767934394	LSVREUWOLDOMBS-UHFFFAOYSA-N	318.333	1.433	50	20	DDGD	
CCOC(=O)N(C)CCCC(=O)NN=c1cc[nH]cc1Cl	1119456229	KYINMAPGGPVNHE-UHFFFAOYSA-N	314.773	1.469	50	20	DDGD	
COCCOCC(=O)NNC(=S)Nc1cc(C)ccc1C	865244706	UIUORWIVYNDYDL-UHFFFAOYSA-N	311.407	1.284	50	20	DDGD	
Cc1cc(=NNC(=O)c2cc(COC(C)(C)C)on2)cc[nH]1	862512310	PXCVMIAATNKPRU-UHFFFAOYSA-N	304.350	1.872	50	20	DDGD	
CC(C)CCn1nccc1NC(=O)C(=O)NNC(=O)CC(C)C	763888547	OORVOHXZFKAGHV-UHFFFAOYSA-N	323.397	1.061	50	20	DDGD	
O=C(NN=C1CCC[C@H]1F)C1CCN(c2ncccn2)CC1	872349380	RTPAJKUWJUZMGC-GFCCVEGCSA-N	305.357	1.687	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)[C@@H]1CCCCO1	771540315	ITTZCNDAUXPUSJ-VIFPVBQESA-N	300.156	1.856	50	20	DDGD	
CSc1cccc(C(=O)NNC(=O)NCC2CC2)c1[N+](=O)[O-]	777241088	UHWSMEOGVNDNNV-UHFFFAOYSA-N	324.362	1.671	50	20	DDGD	
C[C@H]1CC[C@H](C(=O)NNC(=O)COc2ccc(C#N)cc2)C1	776339556	USIGRHFOFSTAAE-AAEUAGOBSA-N	301.346	1.521	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNC(=S)Nc1cccc(C)c1	873773961	ACVDAMBQCQIIEI-JTQLQIEISA-N	308.407	1.227	50	20	DDGD	
CSc1cccc(NC(=O)C(=O)NNc2ncccn2)c1C	773720106	UCBAYJDGMYAJFF-UHFFFAOYSA-N	317.374	1.589	50	20	DDGD	
CCCn1cc(C=NNC(=O)[C@@H](C)Oc2ccccc2F)nn1	872334243	QMEPTRHSNYHFOJ-LLVKDONJSA-N	319.340	1.745	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)Nc1nc2ccccn2n1	770663042	OQCSDQAFEHXFSF-UHFFFAOYSA-N	312.337	1.791	50	20	DDGD	
CN(NC(=O)c1cc(OCc2ccccc2)ccn1)C(N)=O	778415742	PKGKWDWYLXLVKD-UHFFFAOYSA-N	300.318	1.316	50	20	DDGD	
CCCc1ncc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC)s1	772156043	PKZICTQBTRQPDJ-QMMMGPOBSA-N	313.379	1.198	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)Cc2ccccc2CO)o1	779755339	VACZQBQUTXBCAX-UHFFFAOYSA-N	314.345	1.848	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)C(=O)Nc1cccnc1	773654313	DWHGISGGUOSMRJ-UHFFFAOYSA-N	307.313	1.712	50	20	DDGD	
N#Cc1ccc(C(=O)NN=Cc2ccc(O)c(C(=O)O)c2)cc1	777433811	MIDBOJCSWMAPDI-UHFFFAOYSA-N	309.281	1.726	50	20	DDGD	
COC(=O)c1csc(C=NNC(=O)NCC(F)(F)F)c1	872343781	DAEKPILRZQKLKD-UHFFFAOYSA-N	309.269	1.730	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cccc2c1OCC[C@@H]2OC	879428482	XLBKHHCGTANRBG-NSHDSACASA-N	309.322	1.891	50	20	DDGD	
O=C(CC1CCCC1)NCC(=O)NNc1cc(Cl)ccn1	778447347	PUAJBHXSHYIHHV-UHFFFAOYSA-N	310.785	1.875	50	20	DDGD	
CN1CCN(c2ccc(C=NNC(=O)c3ccc[nH]3)cc2)CC1	771551736	UHBBAPDWQCGVJC-UHFFFAOYSA-N	311.389	1.530	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccnn2C)c2ccccc2n1	775752732	ZSDAUYIAUASYPU-UHFFFAOYSA-N	324.344	1.743	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@H]1CCO[C@H](CC)C1	772260143	URLCHLJINOBGPT-SDDRHHMPSA-N	314.382	1.071	50	20	DDGD	
CCNC(=O)c1ccc(C)c(NC(=O)NNC(=O)C2CCC2)c1	779353585	KBXUVBGQYMWLDP-UHFFFAOYSA-N	318.377	1.698	50	20	DDGD	
Cn1nc2c(c1NC(=O)NNc1ncncc1F)CCCC2	880621937	FOWAFGFSSOMYTN-UHFFFAOYSA-N	305.317	1.377	50	20	DDGD	
CN(NC(=O)c1cnc2ccccc2c1C(F)(F)F)C(N)=O	778418693	RFVFKLUPIPXSLO-UHFFFAOYSA-N	312.251	1.909	50	20	DDGD	
Cc1nnc(O)c(C(=O)NNc2cnc3ccccc3n2)c1C	774768937	FDEBAZLTBVQBBV-UHFFFAOYSA-N	310.317	1.499	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2ccc(C#N)cc2)n1	784844036	RQVJHGFHAXUSGK-UHFFFAOYSA-N	311.301	1.044	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@H]1C[C@@H]1Cc1ccccc1	883494050	ZKHHUNDXJSVTQX-GJZGRUSLSA-N	317.389	1.375	50	20	DDGD	
C[C@@H]1CC[C@@H](NC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1	780782329	KLPRAXYJSKSKRJ-GYSYKLTISA-N	319.361	1.345	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H]2CO[C@@H](C)C2)c1	784154439	SMXNRUVCXRZPNK-CMPLNLGQSA-N	303.387	1.411	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1cccc(F)n1	783573879	IBSDGZRNKGWGHJ-UHFFFAOYSA-N	308.338	1.469	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Cc1ccn(CC(F)(F)F)n1	891830452	SBXPQOCLDLARCI-UHFFFAOYSA-N	306.288	1.181	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C2(C(C)C)COC2)ccc1C	899137739	BJDWZMNYNHZBSR-UHFFFAOYSA-N	306.362	1.897	50	20	DDGD	
CCC1(CC)[C@@H](NS(=O)(=O)CBr)C[C@H]1OC	782473128	UOFACAOTLIYVQL-DTWKUNHWSA-N	314.245	1.852	50	20	DDGD	
COC1(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)CCC1	781591832	QWTQYWGMGCUIPS-UHFFFAOYSA-N	301.346	1.427	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1OC)[C@@H](C)O	790070264	NTFCLZXKVMSQMP-PSASIEDQSA-N	314.769	1.517	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H](C)Oc1ccccc1F)[C@H](C)O	790070210	LRKWTHPSYSDVKL-DCAQKATOSA-N	312.341	1.147	50	20	DDGD	
COc1cc(CC(=O)NNc2ccccn2)cc(OC)c1O	790013589	GDURXCACPDWLBB-UHFFFAOYSA-N	303.318	1.490	50	20	DDGD	
CCC1=C(C(=O)NNC(=O)COc2ccc(F)cc2)CCCO1	790119688	UTEPFXKFHGJWCS-UHFFFAOYSA-N	322.336	1.826	50	20	DDGD	
COc1ccccc1C(=O)NNS(=O)(=O)c1ccsc1	795317188	QVOOBIZWPSGYQA-UHFFFAOYSA-N	312.372	1.380	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1c(C)nn(C(C)(C)C)c1C	798305048	RBGLUDJSRWUDLT-UHFFFAOYSA-N	309.439	1.550	50	20	DDGD	
CCNC(=O)NNS(=O)(=O)c1cc(C(C)C)ccc1Cl	790055549	WPVWOXCLGKLZHX-UHFFFAOYSA-N	319.814	1.976	50	20	DDGD	
Cc1cc(OCC(=O)NNc2ncc(F)cn2)ccc1[N+](=O)[O-]	797747968	FNNFTAFAVUBLQU-UHFFFAOYSA-N	321.268	1.354	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)N[C@H](C)[C@H]1CN(C)CCO1	799606073	QQTDDTXLHILOQS-UKRRQHHQSA-N	320.437	1.903	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc3nc(O)oc3c2)n1	794080172	MKGZZZRPVYCZHA-UHFFFAOYSA-N	312.285	1.312	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cccc2oc(C)nc12	792288825	KAJVHADKTGITOI-UHFFFAOYSA-N	324.431	1.608	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)C1CCCC1	793029541	VKCAJAQDVMPXJE-AZSZRZGFSA-N	300.402	1.718	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NN=C1CC(=O)N2CCCC[C@H]12	799472207	LSISLYMVPHEOTE-MRXNPFEDSA-N	324.384	1.967	50	20	DDGD	
O=C(NNC(=O)N1CCC2(CCOCC2)CC1)C1CCCC1	790828932	CULZPZXLLAVLII-UHFFFAOYSA-N	309.410	1.810	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H]1CCCCN1Cc1cccnc1	1318396811	KGDFNAHEXCKNIJ-OAHLLOKOSA-N	318.421	1.630	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNc2ccn(C)n2)cc1OC	1320978581	NQXVUUHGYDVIAI-ALCCZGGFSA-N	302.334	1.594	50	20	DDGD	
Cn1ccc(NNC(=O)c2ccc(C(=O)OC(C)(C)C)cn2)n1	1326676300	QZCBGAUGDCXPAO-UHFFFAOYSA-N	317.349	1.527	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CSc1nc2ccccc2[nH]1	1320790349	ULQGUOPPNGTNAJ-UHFFFAOYSA-N	307.379	1.348	50	20	DDGD	
CC(F)(F)C1(C(=O)NNC(=O)Cn2cnc3ccccc32)CC1	1329463430	YWOBPSOEJZZLNK-UHFFFAOYSA-N	322.315	1.619	50	20	DDGD	
O=C(NN=C1CCC(O)CC1)c1nnc(O)c2ccccc12	1320893313	BJGUFACNTTZHDY-UHFFFAOYSA-N	300.318	1.356	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2nnc(C)n2C)c(Cl)c1	1326763193	MROIWGBSSYMJOJ-UHFFFAOYSA-N	308.773	1.912	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1	1336308815	RVBHZMWNXHJUGN-WDEREUQCSA-N	313.304	1.742	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccccc1CC(=O)NC	1337765887	JJZVSOQTCQYQJP-SNVBAGLBSA-N	306.366	1.174	50	20	DDGD	
Cc1conc1NC(=O)NNC(=O)Cc1c[nH]c2ccccc12	1342420555	LWZMBZOHIAPIIC-UHFFFAOYSA-N	313.317	1.860	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NOCc1ccc(F)cc1	1349076140	MYPDXVOFBRVCOT-BXKDBHETSA-N	311.313	1.013	50	20	DDGD	
CCN(C(=O)CNC(=O)NNC(=O)C(C)C)c1ccccc1	1343827784	AAAMAVTVDVYTQS-UHFFFAOYSA-N	306.366	1.026	50	20	DDGD	
Cc1n[nH]cc1CNC(=O)NNc1ccc(C(=O)O)cc1F	1607939158	KWUHRAJVILBDGI-UHFFFAOYSA-N	307.285	1.382	50	20	DDGD	
Cc1ncc(C(=O)NNc2ccc(C(=O)O)cc2F)c(C)n1	1600733953	ARGFWSKXYFSCGU-UHFFFAOYSA-N	304.281	1.688	50	20	DDGD	
COc1ccc(C(=O)NNc2cccc(C(=O)O)c2F)nn1	1607206048	BYWBEYLDHQMIED-UHFFFAOYSA-N	306.253	1.079	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)C12CCC(C(=O)O)(CC1)C2	1600589991	NQNUHJVBHWFEOX-UHFFFAOYSA-N	317.345	1.186	50	20	DDGD	
COc1cc(C)ccc1C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549313941	JFYTUPNUMFHJBX-HOCLYGCPSA-N	317.389	1.317	50	20	DDGD	
COC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CC1	1803466401	GIUSKACYWKJOBJ-RNJOBUHISA-N	314.813	1.288	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H](C)CC(=O)O)cc1C	1610023817	MGOSUQQVRCLZPQ-JTQLQIEISA-N	308.334	1.726	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1ccccc1C	1549313306	FDKGLDIEQFJHRZ-GDBMZVCRSA-N	301.390	1.698	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@]2(C(=O)O)C[C@H]2C)c1F	1574091981	PKHROQPHVAAISA-UOWDBTKRSA-N	310.281	1.166	50	20	DDGD	
CC[C@@H](C)C[C@@H](N)C(=O)NNc1ccc(C)c(C(=O)OC)c1	1576981844	LXRDSLHGPNYDEK-QMTHXVAHSA-N	307.394	1.988	50	20	DDGD	
C[C@@H]1OC(C)(C)N[C@@H]1C(=O)NC[C@]1(C)C[C@@H]1Br	1576895406	BRFACCOYJAPTIS-PEFMBERDSA-N	305.216	1.389	50	20	DDGD	
C[C@H](Cc1ccc(C#N)cc1)C(=O)NNc1ncccc1C(=O)O	1589079476	RJBDAYZXGPJWOB-LLVKDONJSA-N	324.340	1.973	50	20	DDGD	
C#CC[C@@H](COC)NC(=O)NNc1ccc(F)c(C(=O)O)c1	1588394204	JGMTUKOKGQXGDM-JTQLQIEISA-N	309.297	1.188	50	20	DDGD	
CC(C)[C@H](C(=O)O)C(=O)NNc1ccc(-c2ccccc2)nn1	1588808117	JNPJXXKEGMMTEX-AWEZNQCLSA-N	314.345	1.944	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1CNC(=O)NNc1ccc(F)c(C(=O)O)c1	1588917931	KJAWXOPLEGVHQZ-ZANVPECISA-N	323.324	1.741	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)O1	1590193457	OKGJSKRBUFGYHO-LNLATYFQSA-N	302.338	1.123	50	20	DDGD	
COc1cnc(F)c(C(=O)NNc2cccc(C(=O)O)c2C)c1	1599724263	DPJMCOXCPPCNQK-UHFFFAOYSA-N	319.292	1.993	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C/c1ccc(-c2nn[nH]n2)c(F)c1	1590602566	POJMMDYEWCAPBW-YRNVUSSQSA-N	314.324	1.829	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CCCCC(=O)O)c(C)c1	1594373770	YQRCEFIVAWTRDI-UHFFFAOYSA-N	321.377	1.508	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@H](C)O	1590368433	BTDXSTJZPBLYFY-IONNQARKSA-N	324.772	1.370	50	20	DDGD	
CO[C@@H]1CCC[C@H]1NC(=O)NNc1ccc(C(=O)O)c(F)c1	1599321902	GJQJTVQPCXTEHT-VXGBXAGGSA-N	311.313	1.718	50	20	DDGD	
O=C(Cc1ccccc1C(=O)O)NNC(=O)CC1CCCC1	1594710118	YPTURQXISLUCRL-UHFFFAOYSA-N	304.346	1.655	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1	161244923	FMEQHQAZNPTTEN-UHFFFAOYSA-N	321.336	1.192	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1OC)N(C)C	160509344	VQFDFKDZRNHBBC-LLVKDONJSA-N	313.785	1.450	50	20	DDGD	
CS(=O)(=O)Nc1ccccc1C(=O)NNc1ccccc1F	153160378	UJMIYWBUAMWEAB-UHFFFAOYSA-N	323.349	1.954	50	20	DDGD	
Cc1oc(-c2ccccc2F)nc1C(=O)NNC(=O)N(C)C	157537910	XAKPIFKIJYOCLL-UHFFFAOYSA-N	306.297	1.705	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(N3CCCC3)nc2)nc1	159606676	QOPQOTBEBDGCSE-UHFFFAOYSA-N	313.361	1.842	50	20	DDGD	
COc1ccc(NNC(=O)c2cc3c([nH]c2=O)CCCC3)nc1	159090523	NDMXHOMQDNMRBF-UHFFFAOYSA-N	314.345	1.414	50	20	DDGD	
O=S(=O)(CCCCl)NCCOC1CCSCC1	908452410	KJCRYSHPRRRKDD-UHFFFAOYSA-N	301.861	1.447	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNS(=O)(=O)CCl)C1	867787717	KKZNSAOUNMYVCA-DTORHVGOSA-N	312.819	1.405	50	20	DDGD	
Cc1cccc(OC[C@H](C)NC(=O)NNc2ncccn2)c1	54615344	DSWOWZKRVXFHRK-LBPRGKRZSA-N	301.350	1.879	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNC(=O)Cc1cn2ccccc2n1	173876757	LMLPROWJJPQWKU-GFCCVEGCSA-N	318.377	1.229	50	20	DDGD	
CCCCOCCNC(=O)NNC(=O)Cc1ccccc1F	109018095	QITLFVPHVKNYFB-UHFFFAOYSA-N	311.357	1.515	50	20	DDGD	
CCC[C@H](C)N1C[C@H](C(=O)NNC(=O)c2ccc(C)o2)CC1=O	176213551	RTOZTYZLXAXSNG-CMPLNLGQSA-N	321.377	1.386	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCc1cccc(F)c1	103509344	HFHURIPTOWFJOW-UHFFFAOYSA-N	302.309	1.294	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc2c(c1)CCN2C(C)=O	64425884	QBZFUHYYWBFJLS-UHFFFAOYSA-N	318.377	1.340	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNC(=O)Cn1ccc2ccccc21	104632981	YRUKRPDPLGTHEO-CYBMUJFWSA-N	317.389	1.994	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)Cc2ccc(F)cc2)c1	28663505	JGTDTZCYHHZYFS-UHFFFAOYSA-N	315.348	1.895	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNc1cccc([N+](=O)[O-])c1	178849353	MJHADPGBTSLUKY-UHFFFAOYSA-N	311.301	1.928	50	20	DDGD	
O=C(NNC(=O)c1ncccc1O)c1ccc(Cl)cc1F	174987480	QSQUQIURYMNALB-UHFFFAOYSA-N	309.684	1.655	50	20	DDGD	
CNC(=O)NNC(=S)Nc1ccc2c(c1)OC(F)(F)O2	63792226	ZAIJSEJPKHJTSQ-UHFFFAOYSA-N	304.278	1.139	50	20	DDGD	
COCc1cc(C(=O)NNC(=O)c2cc3ccccc3o2)no1	177756209	OHERSEYWBFMLTO-UHFFFAOYSA-N	315.285	1.642	50	20	DDGD	
C[C@@H]1SCCN(C(=O)NNC(=O)c2cccc(C#N)c2)[C@H]1C	118480300	NGSAOSMTMOKYFB-QWRGUYRKSA-N	318.402	1.738	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C2(c3cccc(F)c3)CCC2)cn1	117681868	IYZNTHYWDHDZGU-UHFFFAOYSA-N	316.336	1.442	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)Cc1ccncc1	175804234	SSBQERDOVZEPFE-UHFFFAOYSA-N	313.357	1.413	50	20	DDGD	
CC[C@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)c1ccccc1C	68374251	VVVOKHRDMZJESQ-RYUDHWBXSA-N	320.393	1.242	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2cccnn2)C12CCCC2	174238059	CXNPZBAGPYJJIB-VXGBXAGGSA-N	305.382	1.841	50	20	DDGD	
Cc1ccccc1NC(=O)C(=O)NNc1ccccc1[N+](=O)[O-]	119173596	LJGYWSHDJPHCCD-UHFFFAOYSA-N	314.301	1.985	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCC(=O)Nc1cccc(F)c1	127372230	KLLVRKNPQOWNFJ-UHFFFAOYSA-N	310.329	1.141	50	20	DDGD	
CCc1c(C(=O)NNC(=O)NC(C)C)cnn1-c1ccccc1	63269164	ZDMSRTZVLPSLPZ-UHFFFAOYSA-N	315.377	1.787	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2c(C)nc3ccccn23)c(O)c1	120703373	OORKYYWPZPYOOC-UHFFFAOYSA-N	324.340	1.732	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1	68454847	KKRMQLQNVBJLQX-ZDUSSCGKSA-N	307.350	1.208	50	20	DDGD	
CCC[C@H]1C[C@H](C(=O)NNC(=S)Nc2ccccn2)CCO1	180485003	ZDNUWEJBNZHMCH-NEPJUHHUSA-N	322.434	1.995	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H]1CCCCN1C(=O)c1cccs1	122912998	MKJPVRPWNBSGIN-SNVBAGLBSA-N	324.406	1.093	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H]2COCCN2C2CCCC2)n1	188525453	YGYVPSXUZONCEC-CQSZACIVSA-N	319.409	1.180	50	20	DDGD	
CCNC(=O)c1ccc(C)c(NC(=O)NNC(=O)[C@@H](C)CC)c1	183922167	ZWCGTGXJOWWQGY-JTQLQIEISA-N	320.393	1.944	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)Cc1cncs1	187367167	QFXRJCZVTFUFDC-UHFFFAOYSA-N	322.415	1.712	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cnn(CC(F)(F)F)c1	185668891	VLPALQQPFSVUCB-ZETCQYMHSA-N	307.276	1.644	50	20	DDGD	
COc1cccc(NNC(=O)[C@H](C)NC(=O)CC(C)(C)C)n1	187678072	DWUPDGSSILBBKW-JTQLQIEISA-N	308.382	1.474	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2cccc(C)c2F)n1	183908899	BQPCWEVIWMZVRI-UHFFFAOYSA-N	319.340	1.800	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(F)cc(Cl)c1	124751076	OCEQTJDWDVQFDE-ZETCQYMHSA-N	315.732	1.611	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)CNc1ccc(C)cc1	76949869	GUEQZUPHRQMNQO-ZDUSSCGKSA-N	305.378	1.536	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)COCc2ccccc2)s1	78192403	QFKQFBJIVVJVMA-UHFFFAOYSA-N	305.359	1.429	50	20	DDGD	
CCc1cc(C(=O)NNc2cccc([N+](=O)[O-])c2)cc(=O)[nH]1	182360111	VXCHXLZKSOYVSP-UHFFFAOYSA-N	302.290	1.602	50	20	DDGD	
O=C(Cn1ccccc1=O)NNc1ccc(OC(F)F)cc1	121643603	VHZXVJAQELPAJP-UHFFFAOYSA-N	309.272	1.593	50	20	DDGD	
CC(C)C(=O)NCCNC(=O)NNc1c(F)cccc1Cl	185069042	LUTCQOHXMLAPLZ-UHFFFAOYSA-N	316.764	1.877	50	20	DDGD	
Cc1ccc(C)c(-n2ncc(C(=O)NN(C)C(N)=O)c2C)c1	182643147	ATKOFMZQSKAUEE-UHFFFAOYSA-N	301.350	1.453	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C2(SC)CC2)cc1	188670829	RWBMSSKFSPLRPQ-UHFFFAOYSA-N	308.403	1.671	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)c2c[nH]c3ccccc23)c(C)n1	183463319	SOFBYUBJSMDNNW-UHFFFAOYSA-N	309.329	1.650	50	20	DDGD	
Cc1ccc(C(=O)NN(C)C(N)=O)cc1NC(=O)c1ccco1	181085417	ZEMVGFGFYYYLPU-UHFFFAOYSA-N	316.317	1.496	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NNC(=O)OC)cc1Cl	48696534	DGDRBVBVAPNRMU-UHFFFAOYSA-N	300.702	1.092	50	20	DDGD	
Cc1ccnc(NNC(=O)C2=NN(CC(C)C)C(=O)CC2)c1	139488210	IJSGEVDCEIVGTK-UHFFFAOYSA-N	303.366	1.468	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1ccc(-c2ccccc2)cc1	194135959	QAUWRLPRHUOVHW-UHFFFAOYSA-N	306.343	1.903	50	20	DDGD	
O=C(NCCCc1ccccc1)NNc1nc2ccccn2n1	190315449	ZGVFHSQTHOTKBZ-UHFFFAOYSA-N	310.361	1.988	50	20	DDGD	
C[C@@H](CNC(=O)/C(C#N)=C\c1ccc(O)cc1)Cn1ccnc1	194679367	MRDRSDHPQOZYMD-PBTLCFMXSA-N	310.357	1.948	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1c[nH]c2ccccc12)C1CC1	135927099	HTSSKXKMPYNIDC-UHFFFAOYSA-N	300.362	1.413	50	20	DDGD	
C[C@H](Cc1ccccc1Cl)C(=O)NNC(=O)[C@@H]1CCCO1	130666885	ZEOARGIZZMYXHS-MFKMUULPSA-N	310.781	1.845	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc(OC3CCC3)cc2)cn1	80356081	QCQXJZXEASLWJO-UHFFFAOYSA-N	314.345	1.426	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cn2ccc3ccccc32)cc(O)n1	133667727	YKSCCLAJQJKDFY-UHFFFAOYSA-N	324.340	1.512	50	20	DDGD	
CCc1ncc(NC(=O)C(=O)NNc2cc(C)ccc2C)cn1	131947938	AIHAVLIWRGUTSX-UHFFFAOYSA-N	313.361	1.738	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccnc(OC2CCC2)c1	191900280	XDIBACPILALPMA-UHFFFAOYSA-N	324.344	1.813	50	20	DDGD	
O=C(NNC(=O)c1c(O)cccc1O)c1cc2ccccc2o1	92124058	WJWQFBHAELBCHQ-UHFFFAOYSA-N	312.281	1.919	50	20	DDGD	
CC(C)(C)NCC(=O)NNC(=O)Cc1c[nH]c2ccccc12	144343953	HDTGXDDLKBZJOD-UHFFFAOYSA-N	302.378	1.246	50	20	DDGD	
C[C@@H]1COCCN1C(=O)NNC(=O)c1cccc2ccccc12	266589255	YHWOJUZYKMMJRM-GFCCVEGCSA-N	313.357	1.915	50	20	DDGD	
CC(C)(C)c1nc(C(=O)NNC(=O)c2cccnc2)cs1	263979051	JZOWQJAOQFMHST-UHFFFAOYSA-N	304.375	1.910	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1cc(Cl)nc(C)n1	269809641	CBDQGCNFCHGXFC-UHFFFAOYSA-N	315.761	1.408	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNc3nc(C)cc(C)n3)(CC1)C2	365284122	FXLQOAJURSBLMP-UHFFFAOYSA-N	318.377	1.660	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)C(C)(C)c2ccccc2)CCO1	264656677	IYUBEQUHYNHUHF-AWEZNQCLSA-N	319.405	1.816	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H](C(C)C)N1C[C@H](C)O[C@H](C)C1	276812194	ZXKRJBOIYJEAEN-ZNMIVQPWSA-N	320.437	1.967	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc(C(=O)N(C)C)cc1	273444315	RUFMXDPEEKULER-UHFFFAOYSA-N	306.366	1.587	50	20	DDGD	
COc1ccc(NNC(=O)C2=NN(CC(C)C)C(=O)CC2)nc1	368736145	NCNARBQSIOIHTD-UHFFFAOYSA-N	319.365	1.168	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@]1(O)CCc2ccccc2C1	367268698	DZVSHVBBXLYPPL-MRXNPFEDSA-N	306.362	1.462	50	20	DDGD	
COC(=O)Nc1ccc(NC(=O)NNC(=O)C2CCC2)cc1F	272830679	KADWUICXBHOGMA-UHFFFAOYSA-N	324.312	1.957	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)c2ccc3ccccc3n2)CCO1	271835753	AGAMUJRQKWDWNU-AAEUAGOBSA-N	313.357	1.811	50	20	DDGD	
COc1cc(C(=O)NNc2nc(C)cc(C)n2)cc(OC)c1O	270604949	BLWNGIIYMGXZKQ-UHFFFAOYSA-N	318.333	1.573	50	20	DDGD	
CN1CCc2ccc(NC(=O)NNC(=O)c3cccn3C)cc21	273408044	NTJOEDVNCUNGMR-UHFFFAOYSA-N	313.361	1.484	50	20	DDGD	
COC(=O)c1ccc(C)c(S(=O)(=O)N2CC=C(C#N)CC2)c1	272765382	MCQXQYQGJYEQKM-UHFFFAOYSA-N	320.370	1.626	50	20	DDGD	
CCNC(=O)c1ccc(C)c(NC(=O)NN(C)C(=O)NCC)c1	274394489	JBGSKKPWZBDMOZ-UHFFFAOYSA-N	321.381	1.443	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H]1CCC[C@@H]1CCO	275462774	YYHJIEQHBHSZGF-DGCLKSJQSA-N	321.377	1.190	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2ccc3ccccc3c2)CC1	278770517	YBQWELRXMHQRLB-UHFFFAOYSA-N	312.373	1.442	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)CN1CCOCC1	271999625	VBKASCLTKQWGEA-UHFFFAOYSA-N	300.362	1.319	50	20	DDGD	
COC(=O)C1(NC(=O)CN2CC=C(C#N)CC2)CCCCC1	270951430	LNUQLOQUQYBOKF-UHFFFAOYSA-N	305.378	1.134	50	20	DDGD	
COCCOCCC(=O)NNC(=O)Nc1cccc(Cl)c1	283800318	VOVGSCMFLFJTHS-UHFFFAOYSA-N	315.757	1.546	50	20	DDGD	
CC[C@@H]1C[C@H]1NC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	280773029	NCYABKYECUXMDJ-GIPNMCIBSA-N	309.341	1.722	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H]2O[C@H](C)C[C@H]2C)c1	282762316	UETHHEOSHYWKAK-XJKCOSOUSA-N	320.389	1.643	50	20	DDGD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NNc1ccc(C(F)(F)F)nn1	281123044	IFFIKAPQBZDULD-SFYZADRCSA-N	316.283	1.944	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)Cc1ccc(Cl)c(F)c1	281593537	XOULJWCHBPFZHO-UHFFFAOYSA-N	323.777	1.475	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ncccc1Br	281031519	YNUFCYUKSGYOMB-UHFFFAOYSA-N	300.156	1.651	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1ccc2c(c1)CCCC2=O	296077733	PUZHSRJLKHBCOM-UHFFFAOYSA-N	312.347	1.097	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)C1	805185708	NATSUVZQQGXYDU-UHFFFAOYSA-N	320.393	1.720	50	20	DDGD	
CC1(C)CN(CC(=O)NNC(=O)c2ccccc2)[C@H]2CCC[C@H]21	293224526	YDCYWWKPBDAGRD-CABCVRRESA-N	315.417	1.958	50	20	DDGD	
COc1cccc(C(=O)CCCC(=O)NNC(=O)N(C)C)c1	292130878	GQXHKTMIDSCIEB-UHFFFAOYSA-N	307.350	1.351	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)[C@H]1CCCN1C1CCOCC1	293747335	SAYJVEJDLJABIU-GFCCVEGCSA-N	324.812	1.822	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@@H]1C[C@@H]1c1ccc(F)cc1	299386530	PUTJVBXORAMTBN-CHWSQXEVSA-N	307.325	1.002	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)Cc2ccc(Cl)cc2)C1	805154186	JPGLUEYWWKJEGU-UHFFFAOYSA-N	310.781	1.845	50	20	DDGD	
COC1(CNC(=O)NNC(=O)c2cccc(C)n2)CCCC1	296813331	JFSROJMWMFAVPN-UHFFFAOYSA-N	306.366	1.293	50	20	DDGD	
C[C@@H](OCCc1ccccc1)C(=O)NNC(=O)[C@H]1CCCCO1	295254141	ALMPATPBQXHQAZ-UKRRQHHQSA-N	320.389	1.351	50	20	DDGD	
Cc1ccc(NNC(=O)NCCc2ccc3c[nH]nc3c2)nn1	807242689	PCVQUAXAYGSMPP-UHFFFAOYSA-N	311.349	1.530	50	20	DDGD	
Cc1nc(C)c(CNC(=O)NNC(=O)[C@H]2CCCCO2)s1	296539406	QEKRQSRXIJFAIW-SNVBAGLBSA-N	312.395	1.159	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2cncn2C)c1C	809578493	NMKHICCQTBXBBI-UHFFFAOYSA-N	303.391	1.668	50	20	DDGD	
COC(OC)c1ccc(C(=O)NNc2nc3ccccn3n2)o1	807390509	ZODCZSICWHMTBO-UHFFFAOYSA-N	317.305	1.371	50	20	DDGD	
Cc1ccccc1C(=O)NNS(=O)(=O)c1ccc(C#N)o1	808070718	XAWSHPPCBZFZCJ-UHFFFAOYSA-N	305.315	1.083	50	20	DDGD	
COc1ccc2c(c1)[C@H](C(=O)NNC(=O)[C@@H]1CCCO1)CC2	292175542	QAVFKMOFAACUIN-OCCSQVGLSA-N	304.346	1.051	50	20	DDGD	
N#Cc1cccc(NNC(=O)C2CCN(CC(F)F)CC2)c1	807119056	WCVHRZNCTDOXAN-UHFFFAOYSA-N	308.332	1.978	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)C(=O)Nc1nc(C2CC2)cs1	806976241	JWVQDIWJSCAVOD-UHFFFAOYSA-N	322.390	1.297	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)Cc2cncn2C)c1C	806375765	QHIMTRIIAMKSPE-UHFFFAOYSA-N	317.418	1.597	50	20	DDGD	
COc1ccccc1C=NNC(=O)COc1ccccc1O	814952616	IGFAHDKGGKIJLJ-UHFFFAOYSA-N	300.314	1.930	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)c2ccc3ccccc3c2)n1	815051652	XCSDFHILJMUCSP-UHFFFAOYSA-N	323.356	1.834	50	20	DDGD	
COC(=O)CCC[C@@H]1CCCC(=NNC(=O)C(=O)NC2CC2)C1	814778149	SMMVYFXXWPUHMZ-NSHDSACASA-N	323.393	1.271	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1snnc1C1CC1	810891193	HRCQUXCJJGLJHY-UHFFFAOYSA-N	318.358	1.959	50	20	DDGD	
COC(=O)[C@@H](C)n1cccc1C=NNC(=O)N=c1cc[nH]cc1	815004071	WQFFRWSCWFWVOH-LLVKDONJSA-N	315.333	1.195	50	20	DDGD	
Cc1cc(C#N)cnc1C(=O)NNc1nc(-c2cccnc2)no1	815546746	VYHCVXSVBWWHBG-UHFFFAOYSA-N	321.300	1.464	50	20	DDGD	
CO[C@@H](C)[C@@H](C)NC(=O)NNC(=O)Cc1ccc(Cl)cc1	811959425	OCHMAEDNXRWNLE-ZJUUUORDSA-N	313.785	1.636	50	20	DDGD	
CO[C@@H]1CCC[C@H](C(=O)NNc2nc(-c3cccnc3)no2)C1	815546614	QYVQHIXZVWXCAR-CMPLNLGQSA-N	317.349	1.780	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](c2ccc(CC)cc2)C1	814640839	ULSWATXPKPMPLT-XJKSGUPXSA-N	317.433	1.984	50	20	DDGD	
CC(C)(O)CN1CCC(=NNC(=O)c2ccc(O)cc2)CC1	814212943	QOCDTEFKLPVBHU-UHFFFAOYSA-N	305.378	1.345	50	20	DDGD	
O=C(NNc1ncncc1F)c1cc(-c2cccs2)[nH]n1	817077761	PXRNJHOQEZBKER-UHFFFAOYSA-N	304.310	1.824	50	20	DDGD	
Cc1oc(Br)cc1C(=O)NNC(=O)NC1CC1	819161430	GZPMEWWQXGHNNL-UHFFFAOYSA-N	302.128	1.457	50	20	DDGD	
COCCN(C)NC(=O)[C@H](Oc1ccccc1C#N)C(C)C	816562389	JNIKZKUKKDTCIX-OAHLLOKOSA-N	305.378	1.571	50	20	DDGD	
C=CCOCC(=O)NNC(=O)CSc1ccc(Cl)cc1	729298679	RXFZZFQBMMRXKG-UHFFFAOYSA-N	314.794	1.782	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNc2ncncc2F)cc1	814583549	KRJPMJLXDMHNMI-UHFFFAOYSA-N	305.269	1.551	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CCc2cc(F)ccc21	825761371	KLCYSYWYMKRPLT-DUFXMDAXSA-N	321.352	1.568	50	20	DDGD	
COc1cccc(C(=O)NNC(=S)NCC2CCC2)c1O	727280045	AHDOCCJJZVRRER-UHFFFAOYSA-N	309.391	1.310	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCc2ccccc2C1	827316060	YSYMZJQSUZNZNV-FZMZJTMJSA-N	303.362	1.211	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(C=NNC(=O)C(F)F)C1	496785469	NBHXGZBUPGDKCH-OQPBUACISA-N	303.309	1.611	50	20	DDGD	
C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NN(C)[C@H](C)CO	823934113	CEQFIBOTSRTERV-NXEZZACHSA-N	320.311	1.817	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccccc1	826114070	IQQIIAXYOXVYHS-BNOWGMLFSA-N	321.377	1.130	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c(O)n1	826281933	PVJQYTQDRDLODG-UHFFFAOYSA-N	311.305	1.033	50	20	DDGD	
CCN1C[C@H](CN(C)S(=O)(=O)CCl)Oc2ccccc21	829853875	BZMZMCCMEYBGIT-NSHDSACASA-N	318.826	1.732	50	20	DDGD	
Cc1noc(C)c1C=NNC(=O)CCNC(=O)OC(C)(C)C	495185401	APLGNZJRXQFETN-UHFFFAOYSA-N	310.354	1.656	50	20	DDGD	
CN1CC[C@@H]2[C@@H](CCCN2C(=O)/C(C#N)=C\c2cnn(C)c2)C1	491163962	ZAASAXDVKRBGQQ-HFAZJSBRSA-N	313.405	1.270	50	20	DDGD	
C[C@H]1CC=C(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)CC1	497192225	GECZYJDYJQBHAH-JTQLQIEISA-N	311.382	1.405	50	20	DDGD	
O=C(C[C@H](n1cccn1)C(F)(F)F)NNC(=O)C1CCC1	827216400	URKXHEZLHWIVAH-VIFPVBQESA-N	304.272	1.324	50	20	DDGD	
O=C(C[C@@H]1COc2ccccc2O1)NNC(=O)C1CCCC1	822474883	VVERQAUGFJCCGF-GFCCVEGCSA-N	304.346	1.554	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCC(C)(C)c1ccccn1	826891985	BXVBHFVVBGOBAX-VXGBXAGGSA-N	320.393	1.115	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1cc(Cl)c(OC)cc1C	496410793	MXHIYWBHRDEIQA-UHFFFAOYSA-N	322.770	1.549	50	20	DDGD	
CC(C)n1cnnc1-c1ccccc1NC(=O)NNC(=O)O	827192840	LXBDHRUFRJKSDC-UHFFFAOYSA-N	304.310	1.830	50	20	DDGD	
CCN1CC[C@H](N(C)C(=O)/C(C#N)=C\c2cnn(C)c2)C[C@H]1C	491103657	LJXFVRSBPFKOJV-NFVJRJMQSA-N	315.421	1.658	50	20	DDGD	
Cc1noc2nc(C(C)C)cc(C(=O)NN(C)[C@H](C)CO)c12	823983609	YBUDKKRLYCTALK-SECBINFHSA-N	306.366	1.612	50	20	DDGD	
Cc1nnc(NNC(=O)c2ccccc2OCC2CC2)nc1O	725881441	WDJMVPZTTIPHNB-UHFFFAOYSA-N	315.333	1.431	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)NNc1ncccc1F)C2	497079912	JSOUNBGNQZVSKM-NHCYSSNCSA-N	320.324	1.307	50	20	DDGD	
C[C@H](C(=O)NNC(=S)N[C@H](C)C1CC1)c1cccc(O)c1	824446618	OIQHXWOUQGQIEY-VHSXEESVSA-N	307.419	1.790	50	20	DDGD	
C[C@]1(C(=O)NCCNC(=O)c2ccco2)C[C@@H]1Br	905775120	ONZWLWNHCNPLIL-CABZTGNLSA-N	315.167	1.299	50	20	DDGD	
CN[C@H](CC(C)(C)C)C(=O)NNc1nc(-c2ccncc2)no1	828218136	YOKBXWBKSDKFFN-LLVKDONJSA-N	318.381	1.599	50	20	DDGD	
COC(=O)CN(C(=O)/C(C#N)=C/c1cnn(C)c1)C1CCCC1	490976962	RZCINDDHYZZTTR-NTUHNPAUSA-N	316.361	1.271	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1CCc2cc(F)c(F)c(F)c21	585044357	GIUCIDNKGIXTPY-CYBMUJFWSA-N	321.107	1.561	50	20	DDGD	
COc1ccc(CC(C)=NNC(=O)c2ncon2)c(C)c1OC	901287403	TVMMDORZNVHMBW-UHFFFAOYSA-N	318.333	1.744	50	20	DDGD	
CO[C@]1(CNC(=O)/C(C#N)=C\c2ccc(F)cc2)CCOC1	490881626	YQZHELIIKIIMFW-RQPMMQJISA-N	304.321	1.654	50	20	DDGD	
CCCCCn1cc(CNCc2ccc(B(O)O)cc2)c(C)n1	585034880	OREWNLXAEYSMFU-UHFFFAOYSA-N	315.226	1.351	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CC(F)(F)C(F)(F)F	900001842	XUKPHGBEEXFVSG-UHFFFAOYSA-N	307.288	1.868	50	20	DDGD	
O=C(CSC1CC1)NNC(=S)NCCc1cccs1	820176685	NUYBENZMDQOZDK-UHFFFAOYSA-N	315.489	1.682	50	20	DDGD	
CC1(C(=O)NNc2ccc(S(C)(=O)=O)cc2)CC(F)(F)C1	821153541	UUAUXCNGTYKRDY-UHFFFAOYSA-N	318.345	1.969	50	20	DDGD	
CC(CCn1cccn1)=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	824412560	AXPAJXBKTDOIPD-UHFFFAOYSA-N	324.348	1.259	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)CNc1cccc(OC)c1	491635783	WSSVHOTVPCFGMR-UHFFFAOYSA-N	311.345	1.087	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)Cn2cnc3ccccc32)CC=CCC1	822198490	XAKHZOSCPBJXSC-KRWDZBQOSA-N	312.373	1.930	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(C)n(C(C)C)n2)n1	826585363	LNKMNDFUCUOZTA-UHFFFAOYSA-N	304.354	1.636	50	20	DDGD	
O=C(CCc1ccccn1)NNc1cccc(-c2nn[nH]n2)c1	826408943	ATXOCAMLWBIAKO-UHFFFAOYSA-N	309.333	1.338	50	20	DDGD	
C[C@]1(C(=O)NC[C@H](CO)Cc2ccco2)C[C@H]1Br	906051033	OIRBOYNPZKZWPF-XWIASGKRSA-N	316.195	1.720	50	20	DDGD	
C[C@]1(C(=O)N2CCc3nc(N)ncc3C2)C[C@@H]1Br	827590523	ZAGNWYZWFJYVLM-CABZTGNLSA-N	311.183	1.117	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)NCc2ccco2)C[C@H]1Br	906416838	HGESGGHCBSGKHY-KCJUWKMLSA-N	316.155	1.284	50	20	DDGD	
C[C@H]1CN(C(=O)[C@@]2(C)C[C@H]2Br)C[C@@H](C)N1CCO	909033347	OJNCUZCRRAUGIY-XZUYRWCXSA-N	319.243	1.073	50	20	DDGD	
CCC[C@H](C)[C@H]1CCCN1C(=O)c1cc(B(O)O)ccc1F	584962466	GWVSNDOXFIFRSB-XHDPSFHLSA-N	307.174	1.546	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NN(C)C(=O)OC)cc1C	496400674	VZAVRYJUUSWKPE-UHFFFAOYSA-N	302.352	1.285	50	20	DDGD	
CC(C)C(=NNC(=O)[C@H](C)NS(C)(=O)=O)C1CCCCC1	733901445	OOWCTECXUVCBDX-NSHDSACASA-N	317.455	1.633	50	20	DDGD	
Cc1cc(C(=O)NCC(Cl)Cl)c2c(O)nn(C)c2n1	837650563	FPYQMGHIDGSCNE-UHFFFAOYSA-N	303.149	1.516	50	20	DDGD	
O=C(C[C@H]1CCOC1)NNc1cccc(Br)n1	837210728	YCCHQZWDWNOSEM-MRVPVSSYSA-N	300.156	1.714	50	20	DDGD	
CCN1C[C@H](NC(=O)NNc2cc(F)c(F)c(F)c2)CC1=O	838672686	GGRCDEHJIWOOSW-MRVPVSSYSA-N	316.283	1.351	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC[C@H](C(=O)O)C2)c(O)c1	832912127	VEKQEDRPFVMQHN-MNOVXSKESA-N	320.345	1.353	50	20	DDGD	
C[C@H]1CCCN(C(=O)COC(=O)/C(C#N)=C\c2cnn(C)c2)C1	837970132	YJQGLAPFSZBCAI-JVXNRYDGSA-N	316.361	1.129	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc2c(n1)CCC2	831854834	DUIIUQCFFSHVQN-ONGXEEELSA-N	304.350	1.148	50	20	DDGD	
O=C(O)CCCNC(=S)NNC(=O)c1cc2ccccc2o1	833228383	VNGZSFKEEASNBX-UHFFFAOYSA-N	321.358	1.407	50	20	DDGD	
O=C(NN[C@@H](C(=O)O)c1cccnc1)c1ccc(Cl)cc1	833149274	LBCIOTGCDFCGNR-GFCCVEGCSA-N	305.721	1.795	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@H](C2CCC2)C2CC2)n1	838745493	UWXWSPFRVXCCKV-OAHLLOKOSA-N	319.409	1.409	50	20	DDGD	
COC[C@@H](OC)C(=O)NNc1nc2ccc(OC)cc2cc1C	831807325	RXKKKTWUYVIGPB-CQSZACIVSA-N	319.361	1.656	50	20	DDGD	
CC[C@H](C)n1ncc(NC(=O)c2cccc(B(O)O)c2)c1C	584981431	VWQMIWUDBAYFRN-JTQLQIEISA-N	301.155	1.095	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCCO1)c1ccc(CC(=O)O)cc1	834989767	UYMUYMYOBDNURG-CQSZACIVSA-N	304.346	1.723	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)Nc1ccc(Cl)cc1)N(C)C	836623940	VTIUXJUPEASBSR-VIFPVBQESA-N	313.789	1.626	50	20	DDGD	
COCCN(C)NC(=O)CSc1nc(-c2ccccc2)no1	837625255	LFOHALQCLRAANK-UHFFFAOYSA-N	322.390	1.438	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)Cc2nnn(C(C)(C)C)n2)c1	830791916	PDRKMUHWBPVWBR-UHFFFAOYSA-N	302.382	1.731	50	20	DDGD	
COC1(CNC(=O)NNC(=O)CCc2ccccc2)CCCC1	836498596	ISWBNNBXWYWXBV-UHFFFAOYSA-N	319.405	1.909	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cnn(C(C)(C)C)c1	831506019	OGQHBOFEIPDUQT-KOLCDFICSA-N	309.370	1.216	50	20	DDGD	
COCCN(C)NC(=O)c1cc2cc(OC)ccc2nc1C	837620793	AXIIMOPEEXJCQT-UHFFFAOYSA-N	303.362	1.775	50	20	DDGD	
Cc1ccsc1CCNC(=O)NNC(=O)[C@@H]1CCCCO1	836386297	VIYYXUHMNIUDND-NSHDSACASA-N	311.407	1.499	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)N=c1cc[nH]cc1)[C@H]1C[C@H]2CC[C@H]1C2	837321650	YJSTUPPHIFTQRR-ZJQBRPOHSA-N	317.393	1.664	50	20	DDGD	
COC(=O)c1cc(NC(=O)[C@@]2(C)C[C@H]2Br)nn1C	913024045	QXWBLHVCZAGMLB-HQJQHLMTSA-N	316.155	1.319	50	20	DDGD	
CCCCNC(=O)NN=Cc1ccc(S(C)(=O)=O)s1	841620305	GMTFQKWWIKAWKT-UHFFFAOYSA-N	303.409	1.585	50	20	DDGD	
CCCCC(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1	744478428	ZGYUGXVJACHTFJ-UHFFFAOYSA-N	303.318	1.053	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NC[C@@H]2CNCCCO2)cc1	842010654	KOPVDBORLYOLJP-HNNXBMFYSA-N	320.437	1.989	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)[C@@H]1CCCN1C(=O)C1CC1	844133655	YOUUPKRLZBBCAY-ZDUSSCGKSA-N	307.394	1.115	50	20	DDGD	
CC(C)(C#N)CS(=O)(=O)NC[C@@]1(C)C[C@@H]1Br	917864375	BANTZMDSBIMRAZ-WCBMZHEXSA-N	309.229	1.629	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)NC2CCCC2)c2ccccn12	741209736	NHXCQYYTCNNAGK-UHFFFAOYSA-N	301.350	1.529	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCC(F)(F)F	743602795	QHGPQWLHDGPRQT-UHFFFAOYSA-N	305.256	1.592	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNc1ccccc1S(C)(=O)=O	841405588	RJJKPPBPEXCGAI-LBPRGKRZSA-N	314.407	1.594	50	20	DDGD	
CCc1cc(C(=O)NNC(=S)Nc2cccc(C)c2)n[nH]1	915269604	QVWFLWWMHZZTQK-UHFFFAOYSA-N	303.391	1.912	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)CN1CCCC1=O)c1ccccc1	913731406	HHIZASIOWHICIK-INIZCTEOSA-N	317.389	1.196	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1nc(C)n2ccccc12	914599973	OVDCLJBTFOBJTK-UHFFFAOYSA-N	301.394	1.825	50	20	DDGD	
C[C@@]1(C(=O)NNc2ncc(Cl)cn2)C[C@@H]1Br	912826078	MMOPIOOKFRGZNX-IMTBSYHQSA-N	305.563	1.747	50	20	DDGD	
CCN(CC)C(=O)CNC(=O)NNc1c(F)cc(F)cc1F	914395666	NIRXAQOSMIHFKU-UHFFFAOYSA-N	318.299	1.598	50	20	DDGD	
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NN(C)C[C@@H](C)O	910162346	FEAWISZMPZLJKQ-SNVBAGLBSA-N	322.796	1.792	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)CN2CCCC2=O)c(F)c1	916359269	SDJDLZXKKXKSFP-UHFFFAOYSA-N	307.325	1.297	50	20	DDGD	
C[C@@H]1CN(CCNC(=O)NNc2ccc(F)c(F)c2)CCO1	915830741	VPRAPKLJRUPAQG-SNVBAGLBSA-N	314.336	1.312	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCO[C@H]2C)cc(Cl)c1O	842560750	YYVOJSQBDNPWAT-WCBMZHEXSA-N	312.753	1.929	50	20	DDGD	
COc1cc(C(=O)NN=C2COC(C)(C)C2)cc(OC)c1OC	841606043	ZSFBFVDBBFCEBB-UHFFFAOYSA-N	322.361	1.997	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1C(=O)Nc2cc(C#N)ccc21	844569660	QAGVQYWTYAJQNV-UHFFFAOYSA-N	313.361	1.063	50	20	DDGD	
CC(C)c1cccc(OCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	843648555	XZDXZIWXSVCTGN-DOMZBBRYSA-N	320.389	1.761	50	20	DDGD	
CC1CCN(C[C@@H](C)C(=O)NN=C2C[C@H](C)n3ncnc32)CC1	841614454	LSWZCULFEKQTDU-OLZOCXBDSA-N	318.425	1.431	50	20	DDGD	
CCc1ccccc1-n1cc(O)c(C(=O)NNc2cccnn2)n1	752807339	VPJKRKSZMSKXFL-UHFFFAOYSA-N	324.344	1.687	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)[C@H]1CC(=O)N(C2CCCC2)C1	855469896	WKTXSVXLGZGVHT-JTQLQIEISA-N	322.796	1.969	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCN2CCOC2=O)c1C	855627559	SAXGHUGLWSCKKN-UHFFFAOYSA-N	321.333	1.067	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC(C)(C)c1cccc(OC)c1	750460822	OAPQORVHXRBSLR-UHFFFAOYSA-N	323.393	1.340	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1nc(Cl)cs1	758099687	NULIBFYXFCIZAX-VIFPVBQESA-N	316.814	1.215	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)cc1)N[C@@H]1CCS(=O)(=O)C1	920381355	REMJWESYLFMUCZ-LLVKDONJSA-N	315.782	1.160	50	20	DDGD	
CC(C)C[C@H](CCO)CNC(=O)NNc1ncc(Cl)cn1	856873800	WICWFTOHAVEZRM-JTQLQIEISA-N	315.805	1.801	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@@]2(O)CCSC2)C[C@@H]1Br	856956857	VZQFKMPVXTZRGA-GDPRMGEGSA-N	323.256	1.327	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1[nH]c2ccccc2c1Cl	755269087	KBPZOICGIGALGR-UHFFFAOYSA-N	317.736	1.548	50	20	DDGD	
C[C@@]1(CNC(=O)NCCC2CCNCC2)C[C@H]1Br	857106777	ZRROEVOBZSBNHS-YPMHNXCESA-N	318.259	1.849	50	20	DDGD	
Cc1ccccc1COCC(=O)NNc1ccnc(N(C)C)n1	857133310	UXAYNXSMJXBNKE-UHFFFAOYSA-N	315.377	1.511	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1cc(C)c(C)o1	853389969	FZJULBSDXWLNLB-HIFRSBDPSA-N	305.378	1.600	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C[C@@H]1CCOc2ccccc21	752162576	DIQBDNMVUIBLRN-LBPRGKRZSA-N	301.346	1.277	50	20	DDGD	
C[C@@]1(CNC(=O)NCC2CCOCC2)C[C@H]1Br	856838734	HVQNQUQPLXOVME-PWSUYJOCSA-N	305.216	1.886	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CCn2cccc2)c(C)c1	751060603	ZXZXBYVHGYYYHG-UHFFFAOYSA-N	314.389	1.755	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)CCOC2CCOCC2)o1	753291534	STIBSMJUSQXCHG-UHFFFAOYSA-N	322.365	1.698	50	20	DDGD	
O=C(NN=C1CCc2ccc(F)cc21)[C@@H]1CN2CCC[C@@H]2CO1	853388368	DYVZVPYHEMMKGE-CJNGLKHVSA-N	317.364	1.455	50	20	DDGD	
CO[C@H](C)CNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	852536908	JQYFTQAXFPSMPJ-GYPVXTSCSA-N	309.410	1.568	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)NC1CC(F)(F)C1	758992913	LYNFDQQMZJCRDU-UHFFFAOYSA-N	322.315	1.769	50	20	DDGD	
COCCC(C)(C)CNC(=O)NNC(=O)c1cccc(C#N)c1	759253049	GKNHBBQDWNRUNP-UHFFFAOYSA-N	318.377	1.565	50	20	DDGD	
C[C@]1(NS(=O)(=O)c2ccc(CCCCl)cc2)CCNC1	853083638	YRANIPLLGJAKRB-AWEZNQCLSA-N	316.854	1.888	50	20	DDGD	
CO[C@@]1(C)C[C@H]1NC(=O)NNc1ncc(Br)cn1	852685939	NAPOTHJXICJLJQ-XCBNKYQSSA-N	316.159	1.043	50	20	DDGD	
CO[C@@](C)(C(=O)NCCSSC)C(=O)OC(C)(C)C	854389403	KQYNAAQDEITRTO-LBPRGKRZSA-N	309.453	1.861	50	20	DDGD	
Cc1csc(CCC(=O)NNC(=O)OCC(F)(F)F)n1	856020612	NCCAOVRQUREMRA-UHFFFAOYSA-N	311.285	1.704	50	20	DDGD	
CC(=O)[C@@H]1CC(C(=O)NNC(=O)C(C)C)=NN1c1ccccc1	751295338	XBQRXZDNJGKQBW-AWEZNQCLSA-N	316.361	1.014	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)CCCNC(=O)C(C)(C)C)C1CC1	855830830	UZLAZYPSTXPHNJ-NSHDSACASA-N	311.426	1.513	50	20	DDGD	
CCCn1nccc1C=NNC(=O)CCCNC(=O)C(C)(C)C	853406707	PVBQVFSCHCFOFS-UHFFFAOYSA-N	321.425	1.686	50	20	DDGD	
C[C@@H]1CCC[C@@H](N2CCC(=NNC(=O)[C@H]3CCC(=O)N3)CC2)C1	863148796	KVTBJGNCXPINGZ-BPLDGKMQSA-N	320.437	1.412	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CCC(=O)N1)c1cc(Cl)ccc1OC	863148379	AMNCFCYZZHSKDY-LBPRGKRZSA-N	323.780	1.858	50	20	DDGD	
O=C(CN1CCCCCCC1=O)NNc1nc2ccccc2[nH]1	768506701	DZOIZRXSUXSHBI-UHFFFAOYSA-N	315.377	1.799	50	20	DDGD	
C[C@@H]1CC[C@@H](C(=O)O)CN1S(=O)(=O)CC(C)(C)CCl	864496989	XBDWPPDNYMIVFT-NXEZZACHSA-N	311.831	1.766	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H]1CCCN1C(C)C	932430010	ULYNJWNJYNDEHZ-CYBMUJFWSA-N	305.378	1.329	50	20	DDGD	
C[C@@](NC(=O)NNC(=O)c1ccc[nH]1)(C1CC1)C(F)(F)F	933580966	WTLNFAKBLWDEHM-LLVKDONJSA-N	304.272	1.690	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)C2Cc3ccccc3C2)n1	762265660	VLSYEFZIHICHKL-UHFFFAOYSA-N	303.753	1.570	50	20	DDGD	
CC[S@](=O)c1ccccc1C(=O)NN[C@@H](C)C(F)(F)F	862304643	DLDUXTKNEUEDJY-FHZGZLOMSA-N	308.325	1.999	50	20	DDGD	
CCOc1ccc(C=NNC(=O)Cc2cc(C)[nH]n2)cc1OC	767396111	MKHZDHBTJWRNED-UHFFFAOYSA-N	316.361	1.818	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)CC1(O)CCCC1	765248057	NWRRXHUUUJXHCS-UHFFFAOYSA-N	324.402	1.327	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)C1(c2ccccn2)CC1)C1CC1	869219509	VNLIQXBHVACLAW-SNVBAGLBSA-N	304.419	1.407	50	20	DDGD	
O=C(NNC(=O)c1cccc([C@@H]2CCOC2)c1)c1ccncc1	761177729	URWWHPRWZXTFCW-OAHLLOKOSA-N	311.341	1.660	50	20	DDGD	
CCC(CC)N1C[C@H](C(=O)NN=c2cc[nH]c(C)c2)CC1=O	862510790	TURZRMZSGXHGGJ-GFCCVEGCSA-N	304.394	1.292	50	20	DDGD	
COCC(=NNC(=O)CCO)c1cccc(C(F)(F)F)c1	1116200474	XICXZHMKYYLOKV-UHFFFAOYSA-N	304.268	1.555	50	20	DDGD	
CC(CS(=O)(=O)c1ccccc1)=NNC(=O)c1cc(C)[nH]n1	764794727	GAMSVLCZUOXPSD-UHFFFAOYSA-N	320.374	1.298	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H]1CCCCN1Cc1ccncc1	1116032264	UVZSBGADGDSABM-AWEZNQCLSA-N	319.409	1.175	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C[C@H]2CCC(=O)NC2)c1	873777525	SXFAHTOAKZCSAI-LLVKDONJSA-N	320.418	1.229	50	20	DDGD	
CC(C)(N)c1nocc1C(=O)NC[C@]1(C)C[C@@H]1Br	1118754411	KJOUIXOVTVIMNS-UFBFGSQYSA-N	316.199	1.772	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H](C)OCC2CC2)c1	874950019	LVHPCOZPEPFQFT-NSHDSACASA-N	317.414	1.801	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(N(C)C(=O)OC)cc1	878444123	VEXHNTYGPYUMDZ-UHFFFAOYSA-N	310.354	1.504	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1coc(-c2ccccc2)n1	779822313	CBOVFTBUCMRSGV-UHFFFAOYSA-N	302.290	1.148	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1	779706514	GIJKUPKLMGLRQT-UHFFFAOYSA-N	314.301	1.681	50	20	DDGD	
COC(=O)c1cc(C(=O)NCCCSC#N)cc([N+](=O)[O-])c1	773585309	NDCTVNHRYBZJDS-UHFFFAOYSA-N	323.330	1.716	50	20	DDGD	
CC1CCN(CCC(=O)NN=C2C[C@H](C)n3ncnc32)CC1	1118026626	ZTSLREPMMIBUFM-LBPRGKRZSA-N	304.398	1.185	50	20	DDGD	
COCCOCC(=O)NN=C(COC)c1cccc(Cl)c1	872400865	VZAZOIQDIGUQEW-UHFFFAOYSA-N	314.769	1.470	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ccc(CO)c(F)c2)c1Cl	1118778415	QOAAOIXFXACXOV-UHFFFAOYSA-N	311.704	1.101	50	20	DDGD	
COCCOCC(=O)NN=Cc1c[nH]c2ccc(OC)cc12	872403155	QEBWMPSRJSQCNS-UHFFFAOYSA-N	305.334	1.290	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cccc(OCCCC#N)c1	779815986	FHIGGNIXMLMSDW-UHFFFAOYSA-N	318.333	1.175	50	20	DDGD	
Cc1cccc([C@@H]2CCN(C(=O)NNC(=O)c3cn[nH]c3)C2)c1	1118863779	BTJMHKXEBUDXJJ-CYBMUJFWSA-N	313.361	1.562	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@@H]2CCc3nc(C)ncc3C2)n1	875050887	UCHGAOYLHYQLOQ-CYBMUJFWSA-N	312.377	1.672	50	20	DDGD	
CN(C)N(C(=O)CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1	770663567	PMFKBYPKXQMGRC-VIFPVBQESA-N	316.345	1.211	50	20	DDGD	
COc1ccc(SCCC(=O)NN(C)C(N)=O)cc1OC	778415374	DTMJFNDBKDVRKJ-UHFFFAOYSA-N	313.379	1.228	50	20	DDGD	
Cc1ncc(CCNC(=O)NNC(=O)c2ccccc2)s1	771953082	ILNCLPGEDBWPOM-UHFFFAOYSA-N	304.375	1.638	50	20	DDGD	
C[C@H](CNC(=O)NNc1nc(O)c2cnn(C)c2n1)C(C)(C)C	770396155	NHHRFXXGOMVMKE-MRVPVSSYSA-N	321.385	1.377	50	20	DDGD	
CC(C)CC(=O)N1CCC(NS(=O)(=O)CCCCl)CC1	881817998	ZEVIJRZIODQZMK-UHFFFAOYSA-N	324.874	1.572	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@H]1CC(=O)N(C2CC2)C1	777478218	QJZYAFXVAPZOHX-ZDUSSCGKSA-N	324.384	1.997	50	20	DDGD	
N#Cc1cccc(NNC(=O)CC(=O)NCC(F)(F)F)c1	779674670	NEOWWSMECABAOZ-UHFFFAOYSA-N	300.240	1.070	50	20	DDGD	
CC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)c1cnn(C)c1C	778540743	XEFYRSZRLPBRQW-UHFFFAOYSA-N	316.321	1.373	50	20	DDGD	
COCc1cc(C(=O)NNc2ccccc2C(=O)OC)no1	777774822	YRICXFCUOQSOFG-UHFFFAOYSA-N	305.290	1.365	50	20	DDGD	
COC[C@H](O)Cc1cn(/C(Cl)=C/CBr)nn1	881310776	OOFWFYZVJHJTME-MNKHYIEKSA-N	310.579	1.260	50	20	DDGD	
CC[C@H](C)[C@H](C)C(=O)OCC(=O)NNC(=O)c1cccs1	780241450	QCCDFBTYSMZBHR-UWVGGRQHSA-N	312.391	1.735	50	20	DDGD	
CCOc1ccc(C(C)(C)C(=O)NNC(=O)NC)cc1OCC	783574695	NSHHPNWZKYZPKU-UHFFFAOYSA-N	323.393	1.722	50	20	DDGD	
COc1cc(C=NNC(=O)C(C)(C)O)cc(Cl)c1OC	785463520	PWRWDHKPXQWPBH-UHFFFAOYSA-N	300.742	1.578	50	20	DDGD	
COc1cccc(NNC(=O)CNC(=O)CC2CCCC2)n1	780773173	NLDIFAMJIXGYKS-UHFFFAOYSA-N	306.366	1.230	50	20	DDGD	
C[C@@H]1CN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C[C@H](CO)O1	787318999	IFMJGOVMTYIOOE-RLPQVCDLSA-N	303.318	1.541	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNc2ncncc2Cl)c1	781831362	HBEFOCGPBLPHHS-UHFFFAOYSA-N	308.725	1.904	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NC2CCCCC2)c(F)c1	1120576024	ADLNLRDCMJAGIR-UHFFFAOYSA-N	304.325	1.974	50	20	DDGD	
CC(=O)Nc1cccc(C(=O)NNc2ncc(F)cn2)c1C	785414455	OZMGRQANHPGBBF-UHFFFAOYSA-N	303.297	1.639	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2CCOC3(CCC3)C2)n1	896798534	NGQRUFOKMLPJKW-LLVKDONJSA-N	306.366	1.586	50	20	DDGD	
C[C@H]1C(=O)CC[C@H](C(=O)NNC(=O)NC2CCCC2)C1(C)C	780508543	LECYZOFZBDDIHM-CMPLNLGQSA-N	309.410	1.901	50	20	DDGD	
CS(=O)(=O)Nc1ccc(C(=O)NNc2ccnc(F)c2)cc1	781357516	MBVYIWPPRQTOIT-UHFFFAOYSA-N	324.337	1.349	50	20	DDGD	
CCOC(=O)N(C)CCCC(=O)NNC(=O)CC(C)(C)C	896150311	YCBWVESHHANFKI-UHFFFAOYSA-N	301.387	1.439	50	20	DDGD	
N#CCc1ccccc1S(=O)(=O)NNC(=O)c1ccccc1	794578695	KLJXFEVHDAEABP-UHFFFAOYSA-N	315.354	1.376	50	20	DDGD	
O=C(NC[C@H]1Cc2ccccc2O1)NNc1nc2ccccn2n1	790173191	CQKWXMBFWUBOIF-GFCCVEGCSA-N	324.344	1.359	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cccc(F)c1SC	797841750	PCZKQYRCDZJIPW-UHFFFAOYSA-N	315.370	1.528	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1nccn(C)c1=O)c1cccnc1	798112264	RSWVMPKPSHRECW-GFCCVEGCSA-N	301.350	1.058	50	20	DDGD	
Cc1ccc(C(=O)NN=C2CC(=O)N3CCCC[C@@H]23)c(O)c1	799477159	IZEMKGCWFHPSLO-ZDUSSCGKSA-N	301.346	1.571	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCCCC1)c1cc(C)n(C)n1	799873441	RLBWHJSUDXEXMU-GFCCVEGCSA-N	305.426	1.691	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)Nc1nc2c(s1)CCC2	790596336	BNQPBQXSVCFTFX-UHFFFAOYSA-N	315.362	1.823	50	20	DDGD	
CN1CCN(C(=O)NN=C(Cc2ccccc2)C(F)F)CC1	790173484	HMQMIYYKKPXDPJ-UHFFFAOYSA-N	310.348	1.807	50	20	DDGD	
Cn1ccc2ccc(NC(=O)NNC(=O)C(C)(C)C)cc2c1=O	794384105	NPXGVUVPPTUJJK-UHFFFAOYSA-N	316.361	1.737	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(F)(F)c2ccccc2C)n[nH]1	1319624340	HQKIGVTXYFMOCF-UHFFFAOYSA-N	308.288	1.580	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C1=Cc2cc(F)ccc2OC1	1319774438	YHEFUDDKSIFYQM-UHFFFAOYSA-N	309.366	1.505	50	20	DDGD	
CCCOc1cc(OC)ccc1C(=O)NNc1ccn(C)n1	1325387560	VEOBNXORLFMBBZ-UHFFFAOYSA-N	304.350	1.974	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cc3c(cn2)OCCC3)n1	1320860294	CKTILWHEAOHYDQ-UHFFFAOYSA-N	319.752	1.915	50	20	DDGD	
Cc1noc(C(F)(F)F)c1C(=O)NNC(=S)NC(C)C	1323382988	PBYCSRLBAGESQK-UHFFFAOYSA-N	310.301	1.519	50	20	DDGD	
COc1cc(F)cc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	1326347144	ZLVPXTBTWPPAMY-PELKAZGASA-N	311.313	1.412	50	20	DDGD	
CC1CCN(CCC(=O)NN=C2C[C@@H](C)n3ccnc32)CC1	1324848708	GZMQYDCXQRVJEY-CYBMUJFWSA-N	303.410	1.790	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]c1=S)[C@]1(F)CCOC1	1331791718	QHGMSDKFMONUMP-ZDUSSCGKSA-N	308.338	1.864	50	20	DDGD	
C=CCCN(C)c1nnnn1C[C@]1(C)C[C@@H]1Br	1336186820	NHZAXYBAQXWDNK-ONGXEEELSA-N	300.204	1.859	50	20	DDGD	
Cc1oc2ncnc(O)c2c1C(=O)NNc1ccnc(F)c1	1337498775	CHFJJIPIWNIQAQ-UHFFFAOYSA-N	303.253	1.528	50	20	DDGD	
C[C@@H](C(=O)NNc1nccn(C)c1=O)c1ccc(F)c(F)c1	1339890277	DOTYRKSKZWEDKU-MRVPVSSYSA-N	308.288	1.305	50	20	DDGD	
C[C@@]1(COC(=O)CCn2ccccc2=O)C[C@@H]1Br	1344036800	ONMVYNUXEQECIJ-GWCFXTLKSA-N	314.179	1.955	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccc(COC2CCCC2)cc1	1342575092	WWWJBXSMRDDPHL-UHFFFAOYSA-N	321.377	1.681	50	20	DDGD	
C[C@]1(CNC(=O)C2(N)Cc3ccccc3C2)C[C@@H]1Br	1347941457	VAJMPLLJKTVABE-GXTWGEPZSA-N	323.234	1.772	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)NCCC2CC2)C[C@H]1Br	1261766463	IKJZTTORHXPVME-BXKDBHETSA-N	303.200	1.192	50	20	DDGD	
CCc1cc(OCC(=O)NN(C)C[C@H](C)O)ccc1Cl	1262178038	OKCLAULWMSOXFZ-JTQLQIEISA-N	300.786	1.625	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C1(Cc2ccccc2)CCOCC1	1344389405	CLOCJQWVVASTJM-UHFFFAOYSA-N	316.401	1.973	50	20	DDGD	
C[C@]1(NC(=O)NNc2ccc(Cl)cc2F)CCOC1=O	1346946111	PXSAFSFMQBLOMI-LBPRGKRZSA-N	301.705	1.811	50	20	DDGD	
COC1(OC)CC(CNC(=O)NNc2cc(Cl)ccn2)C1	1343109060	KMIZZSNTDOIFAE-UHFFFAOYSA-N	314.773	1.760	50	20	DDGD	
CC[C@H](F)C(=O)NNc1ccccc1S(=O)(=O)N(C)C	1358265845	XCLCRMGELAFTIG-VIFPVBQESA-N	303.359	1.128	50	20	DDGD	
CCCNC(=O)[C@H](C)NC(=O)NC[C@@]1(C)C[C@@H]1Br	1521195528	SHBIYCAAUFXSEU-HOTUBEGUSA-N	320.231	1.374	50	20	DDGD	
O=C(/C=C\c1nccs1)NNC(=O)COc1ccc(F)cc1	1520837794	FEWJDRXIIJJUCD-WAYWQWQTSA-N	321.333	1.522	50	20	DDGD	
N#C/C=C(\c1ccccc1)N1CCS(=O)(=O)C[C@H]1CC(=O)O	1601060484	JBOGWOYRJSMAII-IAEDUXEVSA-N	320.370	1.125	50	20	DDGD	
O=C(NCC1CCNCC1)NNc1cccc(C(=O)O)c1F	1601487147	ZFNRVILRDJIDGV-UHFFFAOYSA-N	310.329	1.150	50	20	DDGD	
CC(C)c1n[nH]cc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1603388222	QZSXZEBDOXMOAQ-UHFFFAOYSA-N	312.337	1.470	50	20	DDGD	
Cc1ncoc1CNC(=O)NNc1cccc(C(=O)O)c1C	1600757758	BMKCLGQYGSFBDQ-UHFFFAOYSA-N	304.306	1.816	50	20	DDGD	
C[C@H](Cc1ccc(NC(=O)NNC(=O)C2CC2)cc1)C(=O)O	1604226347	KYCYQMHYHYCZIO-SECBINFHSA-N	305.334	1.513	50	20	DDGD	
Cc1cccnc1CNC(=O)NNc1ccc(CC(=O)O)cc1	1600593276	JQLBBADLCVDITH-UHFFFAOYSA-N	314.345	1.843	50	20	DDGD	
Cc1csc(NC(=O)C(=O)NNc2ccccc2)c1C(=O)O	1600662125	RZSHDSNCWCXCMM-UHFFFAOYSA-N	319.342	1.837	50	20	DDGD	
NC(=O)c1csc(C(=O)NNc2ccc(CC(=O)O)cc2)c1	1601170241	BXRILGYDLUBNBS-UHFFFAOYSA-N	319.342	1.231	50	20	DDGD	
C[C@@H]1OCCC1=NNC(=O)[C@H]1CCCO[C@H]1c1nccn1C	1549308609	CSDLGBVQRMHGTC-GMXVVIOVSA-N	306.366	1.169	50	20	DDGD	
CSSCCNS(=O)(=O)c1cnc(C)c(C(=O)O)c1	1610385574	IMGMOTRBCWKKDX-UHFFFAOYSA-N	322.433	1.378	50	20	DDGD	
Cc1cc(C)c(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)cc1C	1549312662	BWVOCJIJDFYORW-DLBZAZTESA-N	315.417	1.925	50	20	DDGD	
N[C@@H](CCC(=O)NN=c1cc[nH]c2ccccc12)C(F)(F)F	1574283869	BDDBXMDXYZFVKN-LBPRGKRZSA-N	312.295	1.770	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@H](C(=O)O)C1CCCC1	1574404295	CWCSMMXBXZZYMW-OAHLLOKOSA-N	318.373	1.576	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CSCN1	1580736862	ACABAVWBOBIUMI-MRVPVSSYSA-N	302.743	1.354	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)COCC(F)(F)F	1599377129	LEHWURFYBDLZKQ-UHFFFAOYSA-N	322.239	1.415	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cc(C)c(C(=O)O)o1	1599001533	DSLOECFZAYMDAU-UHFFFAOYSA-N	318.285	1.830	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNc2ncccc2C(=O)O)c1	1593884972	JHDXMVZWVQISBM-UHFFFAOYSA-N	315.285	1.323	50	20	DDGD	
CC(C)(CNC(=O)NNc1ncc(Cl)cn1)CC(=O)O	1590726465	LCISCSVGQIFWDL-UHFFFAOYSA-N	301.734	1.257	50	20	DDGD	
CNc1cnc(C(=O)NNc2ccc(C(=O)O)c(F)c2)cn1	1598679593	IUYMUABFLSBNRN-UHFFFAOYSA-N	305.269	1.113	50	20	DDGD	
COc1ccc(NCC(=O)NN=Cc2ccoc2C(=O)O)cc1	1599597204	JGURWWRBPGQBOC-UHFFFAOYSA-N	317.301	1.549	50	20	DDGD	
CO[C@H](C=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)CC(C)C	1591326043	GQIYUENFKLYMJX-ZDUSSCGKSA-N	316.365	1.643	50	20	DDGD	
O=C(O)/C=C/c1ccc(C=NNC(=O)c2cccc(F)n2)o1	1776094013	WPLXLGAEUFNHBM-VRMXTCEBSA-N	303.249	1.675	50	20	DDGD	
CC(=NNC(=O)c1ccc(=O)n(C)c1)c1cccc(C(=O)O)c1	1776103514	NEEYFLFWYLBXBI-UHFFFAOYSA-N	313.313	1.238	50	20	DDGD	
O=C(O)CCOc1ccc(C=NNC(=O)c2cn[nH]c2)cc1	1776093608	APNWKCTYTICIBX-UHFFFAOYSA-N	302.290	1.027	50	20	DDGD	
CCCc1n[nH]c(=S)n1CC(=O)NNC(=O)c1ccccc1	17171122	QZVHYLVBIKCNQM-UHFFFAOYSA-N	319.390	1.354	50	20	DDGD	
COC(=O)NNC(=O)c1ccccc1NCc1cccnc1	158939171	KESAEFDSXOCKRF-UHFFFAOYSA-N	300.318	1.695	50	20	DDGD	
CN(NC(=O)C1(C)CCN(Cc2ccccc2)CC1)C(N)=O	165459959	OZGCNDDDIWCEPL-UHFFFAOYSA-N	304.394	1.330	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C[C@H](C)Cc2cccc(F)c2)[nH]n1	153202111	MXNOEQQCAYSSHN-SNVBAGLBSA-N	318.352	1.887	50	20	DDGD	
O=S(=O)(CCCCCl)Oc1cccc(-n2ccnn2)c1	155223334	SHKSVKIWMXJSOJ-UHFFFAOYSA-N	315.782	1.995	50	20	DDGD	
C[C@H](CBr)CN1CC[C@H](CN2CCOCC2)C1	133822904	QXNFSZBCUSXQKL-CHWSQXEVSA-N	305.260	1.672	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)CC(C)C)nn1-c1ccc(F)cc1	10161085	LEYMWFKPIALWCV-UHFFFAOYSA-N	319.340	1.522	50	20	DDGD	
O=C(CCc1cccnc1)NNC(=O)COc1ccccc1F	8139037	LGRHTCFSRWBYHC-UHFFFAOYSA-N	317.320	1.380	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2F)cc1	8555291	MNRMUKTVIJTXNP-UHFFFAOYSA-N	315.304	1.859	50	20	DDGD	
CCOC(=O)[C@H](C)NC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	112878503	XERQRXMGUXPAJX-MBGMWABPSA-N	314.345	1.180	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)CCCc1ccccc1)C1CC1	119227342	FVMRRXWHCSNYNL-OAHLLOKOSA-N	319.405	1.765	50	20	DDGD	
CONC(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C	53720540	RIIDBYMXWZCKGW-UJMHRVFCSA-N	303.362	1.869	50	20	DDGD	
CCC[C@@H](C)C(=O)NNC(=O)Cc1nc2ccccc2n1C	112852633	MSWXMWLNXSBPQB-LLVKDONJSA-N	302.378	1.699	50	20	DDGD	
CC(=O)c1csc(C(=O)NNC(=O)c2cccc(C#N)c2)c1	106651600	NFABGVOBTNGQSB-UHFFFAOYSA-N	313.338	1.897	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)c1ccc[nH]1)c1cccs1	114604638	OIUXDAXCVYHUJF-UHFFFAOYSA-N	306.391	1.998	50	20	DDGD	
C[C@@H]1CCC[C@@H](C(=O)NNC(=O)Cc2cn3ccccc3n2)C1	173880189	MDARULOCTZFXPH-CHWSQXEVSA-N	314.389	1.851	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C(C)(C)C)cnn1-c1ccccc1	130823983	QTKJGBQYBZOCQE-UHFFFAOYSA-N	300.362	1.988	50	20	DDGD	
CCCOCC(=O)NNC(=O)c1cc(-c2ccccc2)on1	65582202	OLHOYPRJFNEKAQ-UHFFFAOYSA-N	303.318	1.529	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1ccc2c(c1)C(=O)NC2=O	65771177	NSUHISDGSVOIPE-UHFFFAOYSA-N	324.296	1.037	50	20	DDGD	
COCCCNC(=O)NN=C1C(=O)Nc2c(C)ccc(C)c21	64923180	YXYFTJXBJRSCID-UHFFFAOYSA-N	304.350	1.295	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CC[C@H]2CCOC2)cc1	175874253	GQVODQDKZOGFAT-ZDUSSCGKSA-N	305.378	1.371	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNC(=O)COc1cc(C)ccc1C	119748009	FTVBBBVEJRKOGX-INIZCTEOSA-N	308.378	1.381	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C2[C@H]3CCC[C@@H]23)c1	175718659	QDLWCTLVNCHRHZ-MZBDJJRSSA-N	302.374	1.876	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1	133312564	GSGHDZKUOZCWJW-VXGBXAGGSA-N	323.780	1.116	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)c1c[nH]c2ccccc12	66308522	BCSGGDNQEIJMGF-NSHDSACASA-N	301.346	1.910	50	20	DDGD	
CSc1ccccc1C(=O)NNc1ncnc2nc[nH]c12	173946856	PEJLEQKQELDIEZ-UHFFFAOYSA-N	300.347	1.832	50	20	DDGD	
Cc1csc(=O)n1CCC(=O)NNc1cccnc1Cl	128298953	WVSQTIQNKXFRJG-UHFFFAOYSA-N	312.782	1.800	50	20	DDGD	
Cc1cc(C(=O)NNc2nc3ccccc3c(=O)n2C)oc1C	125783107	NNBTYTNBCFDLGM-UHFFFAOYSA-N	312.329	1.900	50	20	DDGD	
C[C@@H](CCOc1ccccc1)C(=O)NNC(=O)c1cnn(C)c1	73097214	XXLPWKHXKITTIN-LBPRGKRZSA-N	316.361	1.286	50	20	DDGD	
Cc1[nH]c2ccccc2c1CC(=O)NNC(=O)Cc1cc[nH]n1	186124551	FUAHJXXDELTXCR-UHFFFAOYSA-N	311.345	1.132	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc2cnccc12	124638087	BXIJPVSIXKIHRT-SNVBAGLBSA-N	314.345	1.367	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@H]1OCCc2ccccc21	123848450	XPGSURMWLDJFMQ-INIZCTEOSA-N	311.341	1.086	50	20	DDGD	
CCCOc1cccc(NC(=O)C(=O)NNc2ccccn2)c1	181416443	BOTBIHGBHUBUHU-UHFFFAOYSA-N	314.345	1.952	50	20	DDGD	
O=C(Cc1cncs1)NNc1nc(-c2ccncc2)no1	187670349	BKFUKKSUQDKJDL-UHFFFAOYSA-N	302.319	1.274	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc2c(c1)CCC(=O)N2	129656323	VOACCZLVFUGXQZ-UHFFFAOYSA-N	304.350	1.315	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C\c1cn(Cc2cccnc2)nn1	181393584	RJKGMLZKHAULJK-ZSOIEALJSA-N	310.361	1.545	50	20	DDGD	
CCn1c(=O)n(CC(=O)NNc2ccccn2)c2ccccc21	181217929	FCXJLTVASLSKIJ-UHFFFAOYSA-N	311.345	1.361	50	20	DDGD	
COc1cccc(NNC(=O)c2cccc(-c3ncn[nH]3)c2)n1	180682541	ABHTWSKZKKHXMR-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
C[C@@H](CCNC(=O)NNC(=O)c1ccc[nH]1)N1CCCCC1	182696298	NAMBCGCZSTVFOR-LBPRGKRZSA-N	307.398	1.223	50	20	DDGD	
O=C(NNC(=O)c1cc(OCC(F)F)ccn1)c1cccnc1	182634705	DADOSRJEYKWJJR-UHFFFAOYSA-N	322.271	1.195	50	20	DDGD	
CCS(=O)(=O)c1ccc(C(=O)NNc2ccnc(F)c2)cc1	182467747	ALUUQOVDIJWSLZ-UHFFFAOYSA-N	323.349	1.771	50	20	DDGD	
C[C@@H](CO)CSCC(=O)NNC(=O)c1ccccc1Cl	74785435	AGYHKILKPDTYJE-VIFPVBQESA-N	316.810	1.463	50	20	DDGD	
CCC[C@@H]1CN(CC(=O)NNC(=O)c2ccc(F)cc2)CCO1	132139506	WPCJYODHQAREBI-CQSZACIVSA-N	323.368	1.088	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1ccncc1Cl)C1CCCC1	135892358	GTYDMUCNVMTWIR-CYBMUJFWSA-N	310.785	1.873	50	20	DDGD	
Cn1ccnc(NNC(=O)[C@H]2CC[C@@H]3CCCC[C@@H]3C2)c1=O	132523544	OLNHIWVNASIOFD-XQQFMLRXSA-N	304.394	1.830	50	20	DDGD	
CC[C@](NC(=O)/C(C#N)=C\c1ccc(O)cc1)(C(N)=O)C(C)C	194850344	NNVIBGDZPBPFAW-HOFZKYPUSA-N	315.373	1.705	50	20	DDGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccn(C)n2)cc(OC)c1	134505963	GJYNXVJHWFMVHP-SDQBBNPISA-N	312.329	1.983	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccc(C#N)c(C)n1	194202119	DZBKTBLOCMOIKU-UHFFFAOYSA-N	324.340	1.274	50	20	DDGD	
COCCOc1ccc(CC(=O)NNc2cnccn2)cc1	192215121	ZZGQKFBKOUEFKE-UHFFFAOYSA-N	302.334	1.188	50	20	DDGD	
CN(C)C(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)cc1	194856833	RSNIPFWPUZDJTI-UHFFFAOYSA-N	311.285	1.170	50	20	DDGD	
CC(C)CCSCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	98100822	UCWYNUJRLAGHHG-LBPRGKRZSA-N	322.496	1.258	50	20	DDGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(/C#N)C(=O)NCCOC	255916579	UEKUBCVKNMJBSZ-WQLSENKSSA-N	319.317	1.663	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@](C)(OC)c2ccccc2)n1	266932269	NUURYJMJTPLCFI-INIZCTEOSA-N	316.361	1.799	50	20	DDGD	
CSC[C@H](C)NC(=O)NNC(=O)COc1ccc(C)cc1	265596682	VQGOORZOFPZSHC-NSHDSACASA-N	311.407	1.456	50	20	DDGD	
C[C@@H](c1ccccc1)[C@](C)(O)C(=O)NNC(=O)NC1CCCC1	267030543	RQWDRUIWNXCTCZ-SJCJKPOMSA-N	319.405	1.814	50	20	DDGD	
CC(=O)N(CCC(=O)NNC(=O)CC(C)C)Cc1ccccc1	263849236	XULSIJZSFVREEP-UHFFFAOYSA-N	319.405	1.619	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N[C@H]1C[C@H]1Cc1ccccc1	266783177	RPJPFRNUAZQORL-CVEARBPZSA-N	324.384	1.586	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H]2C[C@]23CCOC3)n1	363801693	LIGFGOBHMOUQBQ-NHYWBVRUSA-N	305.382	1.193	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(C)C(=O)OC(C)(C)C)n1	279758615	DWIMOIORZVCLGQ-UHFFFAOYSA-N	322.365	1.018	50	20	DDGD	
CN(C(=O)[C@H](Br)C(C)(C)C)[C@@H]1CCCCNC1=O	364150685	ONVFNHAFRKODAM-ZJUUUORDSA-N	319.243	1.923	50	20	DDGD	
CCn1nc(NC(=O)NNC(=O)c2ccccn2)cc1C1CC1	273384468	CLUPANPIEGQQMX-UHFFFAOYSA-N	314.349	1.642	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC1CCN(c2cc(C)n[nH]2)CC1	275889114	BVDPTACTUPVOQL-ZRDIBKRKSA-N	303.366	1.247	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Cc1c(C)n[nH]c1C)c1ccccc1	276482384	GFHOORMJHDFDHX-AWEZNQCLSA-N	314.389	1.910	50	20	DDGD	
Cc1ccn(C[C@@](C)(O)C(=O)NNc2ccccc2)c(=O)c1	279644279	WCHYYNIADOAVSI-MRXNPFEDSA-N	301.346	1.051	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)NCCC2(C)CC2)cc1	280357708	KYOIGCQJSQDSMR-UHFFFAOYSA-N	321.377	1.595	50	20	DDGD	
COCCn1cc(C(=O)NN(C)C(=O)OC)c2ccccc21	286446588	SBFOITTXWHXHDQ-UHFFFAOYSA-N	305.334	1.631	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCCCN2C(C)=O)c1	285494872	AFMNQRUTSFGWCF-CQSZACIVSA-N	319.361	1.317	50	20	DDGD	
COc1ccc(NNC(=O)c2cnc(C3CC3)nc2N)nc1	289228992	WGPSBQRYPLKFEA-UHFFFAOYSA-N	300.322	1.097	50	20	DDGD	
C[C@]1(C(=O)NNc2cccc(F)n2)Cc2ccccc2C(=O)O1	376195878	AQHHFVIBVOBZQG-MRXNPFEDSA-N	315.304	1.836	50	20	DDGD	
C[S@](=O)C1(CNC(=O)NNc2cc(Cl)ccn2)CC1	282054156	BSOMTXJAQOXMOZ-IBGZPJMESA-N	302.787	1.272	50	20	DDGD	
CC[C@H](C)CCC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	285094033	OAUBTXQIEFRZNC-NSHDSACASA-N	305.378	1.907	50	20	DDGD	
CC(C)(C)OC(=O)NC1(C(=O)NNc2cccc(F)n2)CC1	286602758	PKNFJTIHHGDACA-UHFFFAOYSA-N	310.329	1.721	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H]2C[C@@H]2C(=O)OC)cc1C	291176075	KGYPGOJNIDHPIC-OLZOCXBDSA-N	320.345	1.424	50	20	DDGD	
CN(NC(=O)c1ccc(OCC(N)=O)cc1)C(=O)OC(C)(C)C	297505939	BSLDRTREQDYNSG-UHFFFAOYSA-N	323.349	1.062	50	20	DDGD	
CCCc1noc(CCCC(=O)NNc2ncncc2F)n1	294178523	WPXYRLJNPUZZDE-UHFFFAOYSA-N	308.317	1.417	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC(C(=O)NNc2ncccn2)CC1	298270912	DFIJMGSRTDLJGC-UHFFFAOYSA-N	321.381	1.567	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1nc2ccccc2s1	291667477	AZMFMOPBEWOBPM-VIFPVBQESA-N	306.347	1.628	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)Cc2ccn(C)n2)c(Cl)c1	802049738	GWGGWNMSAMKHSU-UHFFFAOYSA-N	321.768	1.777	50	20	DDGD	
O=S(=O)(CBr)NCc1cc(F)cnc1Cl	296280901	QZHWOUMEVYJBLX-UHFFFAOYSA-N	317.567	1.646	50	20	DDGD	
Cc1ccc2oc(C(=O)NNC(=O)N=c3cc[nH]cc3)cc2n1	802035604	GEQHALDJUCPKNQ-UHFFFAOYSA-N	311.301	1.420	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2nn(CC)nc2C)cc1	292617180	JIQICZSFEVYILF-UHFFFAOYSA-N	301.350	1.244	50	20	DDGD	
COc1ccccc1NCC(=O)NN=Cc1cc(F)ncc1F	807945643	GDSBXQIUHFPTOG-UHFFFAOYSA-N	320.299	1.931	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)N[C@@H]1CC1(C)C	299059536	KSQNHLDXMXZASG-JOYOIKCWSA-N	309.341	1.722	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNc1ncc(F)cc1F	297049304	VHOHTSJDJACDNP-UHFFFAOYSA-N	302.281	1.328	50	20	DDGD	
COCCOc1cncc(C(=O)NNc2ncncc2Cl)c1	801217561	YTLHPUFCHLSVED-UHFFFAOYSA-N	323.740	1.307	50	20	DDGD	
COc1cnc(NC(=O)NNC(=O)c2cccc(C#N)c2)s1	806513931	RGFUGQVRVNJGJA-UHFFFAOYSA-N	317.330	1.490	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)Nc2ccccc2)C1	801989555	CTPANZRBQSYVAB-GHMZBOCLSA-N	304.350	1.131	50	20	DDGD	
C[C@@H](C(=O)NNc1ncncc1F)N1CCc2ccccc2C1	817077446	GEVRXZCSSIRJOU-NSHDSACASA-N	315.352	1.506	50	20	DDGD	
Cn1c(=NNC(=O)C[C@@H]2CSCCN2)sc2ccccc21	818502591	ZGBXHZQIFOLQBR-SNVBAGLBSA-N	322.459	1.267	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)CCc2ccccc2O)C1	819807448	GYSKGPMZHZPHMI-UHFFFAOYSA-N	304.346	1.770	50	20	DDGD	
COc1ccc(NC(=O)NN=C(C)c2cc(CO)on2)cc1	814998243	ADJUNCCTABYTJD-UHFFFAOYSA-N	304.306	1.721	50	20	DDGD	
CCCNC(=O)NNC(=O)c1c(CC)nc2ccc(Cl)cn12	813424890	BLSDGTCJPBJSRO-UHFFFAOYSA-N	323.784	1.904	50	20	DDGD	
C[C@H]1SCCC1=NNC(=O)c1cccc(S(C)(=O)=O)c1	814801794	NFARROARPRJEHA-SECBINFHSA-N	312.416	1.701	50	20	DDGD	
CCc1cnc(C=NNC(=O)[C@H](C)CN2CCOCC2)s1	814763244	WNLWXEHWJPJIGB-LLVKDONJSA-N	310.423	1.124	50	20	DDGD	
Cc1nn(CC(=O)OC(C)C)c(C)c1C=NNC(=O)CC1CC1	814988526	KBVHUNHFQFUXKN-UHFFFAOYSA-N	320.393	1.702	50	20	DDGD	
Cc1cc(O)cc2c1C(=O)C(=NNC(=O)c1cccc(C#N)c1)O2	728781783	YNVZACUMLJSIIP-UHFFFAOYSA-N	321.292	1.891	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C1(C)CCOCC1	726799471	OKPSAPHWLNRZDF-UHFFFAOYSA-N	320.389	1.592	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)/C=C\c1cccc(O)c1	492672215	NSKIJGOBRLLWPP-KTKRTIGZSA-N	312.325	1.875	50	20	DDGD	
CN(C)C[C@@H]1CCCCN1C(=O)/C(C#N)=C\c1cnn(C)c1	491159407	IPNCEYOXAMMBJL-OWTLUSIOSA-N	301.394	1.270	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)COc1cccc(Br)c1	823992773	APUYMDAUJRAMGQ-SECBINFHSA-N	317.183	1.172	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)cc1	822221755	DTNRHOYWHASVQH-MBNYWOFBSA-N	315.373	1.517	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCCn2ccnc2)cc1	729299517	JFWNHTXTLQOBFF-UHFFFAOYSA-N	316.361	1.198	50	20	DDGD	
COC1(C=NNC(=O)CNC(=O)OC(C)(C)C)CCCCC1	496995647	JQNKUIOKZQQJLZ-UHFFFAOYSA-N	313.398	1.962	50	20	DDGD	
CC(C)[C@@H](NCc1ccc(B(O)O)cc1)[C@H](O)c1ccccc1	585038951	NAHBEZSMFWQXFT-QZTJIDSGSA-N	313.206	1.214	50	20	DDGD	
Cn1nc(C2CC2)cc1C(=O)NNC(=O)OCC(F)(F)F	825518641	CBHMYDWDGPPQNI-UHFFFAOYSA-N	306.244	1.231	50	20	DDGD	
C=CCOC[C@@H](NC(=O)[C@H](Br)C(C)(C)C)C(=O)O	909771879	SROJTVPDIIEIIL-BDAKNGLRSA-N	322.199	1.568	50	20	DDGD	
OB(O)[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)s2)C1	585079236	VRGHAWJTPHSVKB-JTQLQIEISA-N	307.159	1.321	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21	905201049	XWFDRYNERXIXPV-LERXQTSPSA-N	306.749	1.255	50	20	DDGD	
CCC(C)(C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	820848265	URUDXOAZXMJCRJ-UHFFFAOYSA-N	316.365	1.454	50	20	DDGD	
COC(=O)COCC(=O)NNc1cc(Cl)nc(Cl)c1	822442933	KOASLBAZRDPZQW-UHFFFAOYSA-N	308.121	1.021	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NNc1ccncn1	496961451	IPNXQWPBLFQIML-NSHDSACASA-N	323.397	1.955	50	20	DDGD	
CC(=O)NC1CCC(NC(=O)[C@@]2(C)C[C@H]2Br)CC1	906505698	KFIBTPCBFQJETC-KMFOADKKSA-N	317.227	1.723	50	20	DDGD	
O=C(CSc1ccc2c(c1)OCCO2)NNc1cnccn1	734245056	FOQFPECBDFJNBW-UHFFFAOYSA-N	318.358	1.483	50	20	DDGD	
CCn1cc(C=NNC(=O)CCc2ccccc2O)c(C)n1	901190093	SDCUUSFTXJYYBS-UHFFFAOYSA-N	300.362	2.000	50	20	DDGD	
Cc1cc(C)c2c(c1)[C@H](NCc1ccc(B(O)O)cc1)CCO2	585021534	WNVFMAUVNQDRPK-QGZVFWFLSA-N	311.190	1.597	50	20	DDGD	
CN(NC(=O)COCCOc1ccccc1)C(=O)OC(C)(C)C	495977064	APPNPVPNVDCDKJ-UHFFFAOYSA-N	324.377	1.980	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](C)OCC2CC2)c1F	837057220	IBLUHILZZXYYKN-SECBINFHSA-N	310.325	1.871	50	20	DDGD	
CC1(C)C[C@@H](CNC(=O)NNc2ccc(Cl)nn2)CCO1	836674345	NHUCFLFPXFNMAV-VIFPVBQESA-N	313.789	1.961	50	20	DDGD	
Cc1noc(C)c1[C@H](C)NC(=O)NNC(=O)CC(F)(F)F	733849966	PAZJCCTVDFTYQU-YFKPBYRVSA-N	308.260	1.635	50	20	DDGD	
CC(=O)N1CCC(C(=O)NNc2nccc3sccc23)CC1	734250521	ZTLSJPQVTKKDRG-UHFFFAOYSA-N	318.402	1.998	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1cccc2[nH]ncc12	737922845	CSYONHBEZMJAMO-UHFFFAOYSA-N	324.340	1.541	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)N[C@@H]2C[C@H]2C(C)C)cc1	838760764	FYJYYSAVFUWZTE-UONOGXRCSA-N	321.377	1.449	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1F)C1CCS(=O)(=O)CC1	733000449	OVIXJDJJWPPOBG-UHFFFAOYSA-N	322.308	1.372	50	20	DDGD	
COc1ccnc(NNC(=O)NCCc2cc(C)ccc2F)n1	838684036	KIEDDMCEODLAOP-UHFFFAOYSA-N	319.340	1.802	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21)c1ccc2ccccc2c1	906277967	RNQXTLRTAUSAGI-CWRNSKLLSA-N	308.337	1.826	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1ccccc1	906483659	MQFDOPWSDPHALY-HOCLYGCPSA-N	302.374	1.748	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)COc1ccccc1O	730892579	BFKZVWPOWXHMKN-UHFFFAOYSA-N	315.329	1.932	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2cccnc2)c(Cl)c1	730969224	CJVKXERSUWCWJH-UHFFFAOYSA-N	319.748	1.747	50	20	DDGD	
C[C@@H]1CCC[C@H](NC(=O)NNC(=O)N=c2cc[nH]cc2)CC1	838565929	LEPALLDIFHPINI-NEPJUHHUSA-N	305.382	1.808	50	20	DDGD	
CCn1cc(C=NNC(=O)[C@H](C)CN2C[C@H](C)O[C@@H](C)C2)cn1	732528031	CUWARFIPICTTFF-RDBSUJKOSA-N	321.425	1.098	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1[N+](=O)[O-]	831046858	HVOVDVNZZYRAEF-GXSJLCMTSA-N	322.321	1.481	50	20	DDGD	
CC(C)Cc1c[nH]c(C(=O)NNC(=O)Cc2ccncc2)c1	839696488	MGEHNEYJIQYJFV-UHFFFAOYSA-N	300.362	1.612	50	20	DDGD	
O=C(CN1CCCC1=O)NNC(=O)[C@H]1CC[C@H](C2CCC2)CC1	913733719	TYWDMAHTUIYZFA-HDJSIYSDSA-N	321.421	1.363	50	20	DDGD	
O=C(COc1ccccc1Cl)NNC(=O)N=c1cc[nH]cc1	919896881	LETJPMWGCFZSKW-UHFFFAOYSA-N	320.736	1.389	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1c(C)nc2ccccn12	916354563	FOSZBGUKGKDMDB-UHFFFAOYSA-N	301.394	1.825	50	20	DDGD	
CN(C)c1cc(COC(=O)/C(C#N)=C\c2cnn(C)c2)ccn1	837970674	GEWPHACOVZOLGA-NSIKDUERSA-N	311.345	1.531	50	20	DDGD	
CC(C)(CC#N)CNC(=O)NNc1ccccc1S(C)(=O)=O	838754238	XBSXSNMPCUZKCA-UHFFFAOYSA-N	324.406	1.656	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@]2(CCSC2)C1	832511223	PNEVVPLKFMWYPK-HNNXBMFYSA-N	313.467	1.399	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NNC(=O)[C@H]1CCCCO1	833778337	BEJYPDCEGCBRQQ-RKDXNWHRSA-N	321.215	1.513	50	20	DDGD	
CC(C)n1ccc(CC(=O)NNC(=O)CNc2ccccc2)n1	743292577	ASMADTUNTJIBJD-UHFFFAOYSA-N	315.377	1.266	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)c2ccccc21)C1CCCC1	914836436	LZMNKSFZMAGEDT-UHFFFAOYSA-N	306.387	1.875	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)COc1ccc2c(c1)CCC2	843646345	KNVSFXIRRDMQNJ-NHYWBVRUSA-N	318.373	1.127	50	20	DDGD	
CCN(CC)C[C@@H](C)NC(=O)NNc1nc(C)cc(OC)n1	746755443	DTFXGKZLRMVDPK-LLVKDONJSA-N	310.402	1.150	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2Cc3ccccc3S2)n1	746634847	QMLQIZDLQYROFO-LBPRGKRZSA-N	316.386	1.954	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccn2)no1)c1ccncc1	746092237	YRXXEKMJLMHTAW-UHFFFAOYSA-N	309.285	1.206	50	20	DDGD	
CC[C@H](N)CNC(=O)NNC(=O)Nc1cc(F)cc(F)c1	842005707	JRTCUPGXQLOLQD-VIFPVBQESA-N	301.297	1.038	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNc1ccc([N+](=O)[O-])cc1C	846150639	LCHIHEFPRKYTBQ-UHFFFAOYSA-N	308.338	1.509	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H]2CCc3nnnn3CC2)cc1	846225067	GQNZXURNUGNSBL-LLVKDONJSA-N	316.365	1.168	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1nc(C)n2ccccc12	741187074	IJTBXJYDTICGIO-UHFFFAOYSA-N	324.340	1.726	50	20	DDGD	
C[C@@H]1CN(CCC(=O)NNC(=O)C2CC3(CCC3)C2)C[C@@H](C)O1	844129286	NHAMYYBSRBHPTB-CHWSQXEVSA-N	323.437	1.213	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccccc2[N+](=O)[O-])n1	740102973	SIQHBBFQGBHZSN-UHFFFAOYSA-N	302.294	1.208	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc(C#N)c2)CS1	840416919	GISGUBXSZSCXTD-SKDRFNHKSA-N	304.375	1.396	50	20	DDGD	
O=C(Cc1cc(-c2ccccc2)on1)NNC(=O)c1ccccn1	746091881	MUPPAVVZGQBERT-UHFFFAOYSA-N	322.324	1.740	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)[C@H](C)Oc1ccccc1F	749756472	IRIYNPZXGKXZTQ-UWVGGRQHSA-N	313.398	1.887	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CSc1nc2ccccc2s1	910180284	LBOHTMDONLTWPN-SECBINFHSA-N	311.432	1.732	50	20	DDGD	
C[C@H](Cc1cnc[nH]1)C(=O)NNC(=O)C(C)(C)c1ccccc1	847475638	MKJGVPFDAMUOHC-GFCCVEGCSA-N	314.389	1.714	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1cnn(-c2ccc(F)cc2)c1	842556477	NTYQUBLODYDTJQ-ABAIWWIYSA-N	316.336	1.887	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1ccc(Cl)s1	843655250	MAAQQKJDHDOKIN-APPZFPTMSA-N	302.783	1.516	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@H]1C[C@@H]1c1cccc(F)c1	743357139	ZGTGFNLEGOOYIF-ZJUUUORDSA-N	319.258	1.964	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2F)CCN1C	745857926	MANLXXFWCOJEQH-MNOVXSKESA-N	308.357	1.252	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@@H](CN)CC(C)C	841954004	MOTBQOLKCOGUQZ-CQSZACIVSA-N	306.410	1.241	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H](C)Oc1ccc2c(c1)CCC2	921038214	KDCXUMNCSQUPPR-LLVKDONJSA-N	305.378	1.683	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccccc1SCC#N	843971962	CWZHGEWXPFGLPQ-MNOVXSKESA-N	319.386	1.488	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)OCC(=O)NNC(=O)c1ccccc1	842121275	QHBPCIQTNPYFFR-ZDUSSCGKSA-N	322.361	1.052	50	20	DDGD	
Cc1ccc(C(=O)NNC(=S)Nc2ccc3c(c2)OCO3)o1	752242978	DLIDDZJIVYLIQO-UHFFFAOYSA-N	319.342	1.948	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2snnc2C)cc1C	921234770	VZCKKKGAWGENIZ-UHFFFAOYSA-N	320.374	1.303	50	20	DDGD	
COc1cc(C)cc(C(=O)NNc2cc(Cl)nc(N)n2)c1O	753454205	PKLOMPUJGCLARA-UHFFFAOYSA-N	323.740	1.492	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C[C@@](C)(O)C2CC2)ccc1C	857266755	GQDYXRHRUCDLII-MRXNPFEDSA-N	306.362	1.776	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@H]1CCCN1CC(F)F	858746563	CLCWKHZRTXMNMB-JTQLQIEISA-N	306.357	1.092	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2cnn(C)c2C)ccc1C	857267694	MZMBWZIALMVTEG-UHFFFAOYSA-N	302.334	1.580	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H]2CCCCO2)c1C	853484961	ZSKJZPDQGIEASV-GFCCVEGCSA-N	321.377	1.977	50	20	DDGD	
CS(=O)(=O)/C(C#N)=C/c1cc2c(cc1[N+](=O)[O-])OCCO2	920388116	VALFHVHABZAANM-RUDMXATFSA-N	310.287	1.275	50	20	DDGD	
COC(=O)[C@H]1CCN2C(=O)N(CCSSC)C(=O)[C@@H]2C1	925339064	PSONLZBZWVIFFJ-IUCAKERBSA-N	318.420	1.213	50	20	DDGD	
Cc1n[nH]c(C)c1CCC(=O)NNC(=S)N[C@@H](C)C1CC1	855099125	RRGSGYQXHUTHLV-QMMMGPOBSA-N	309.439	1.253	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)CSCc1ccccn1)C1CC1	855102999	PEQXYUFJTQEWBN-SNVBAGLBSA-N	324.475	1.609	50	20	DDGD	
COc1ccc(C2(C(=O)NNC(=O)C(C)C)CCOCC2)cc1	920287459	CTMOKSGOYQBRNV-UHFFFAOYSA-N	320.389	1.547	50	20	DDGD	
Cc1ccccc1C[C@H](C)C(=O)NNC(=O)N1CCOCC1	858906127	OXTUEEUGTHPZJH-ZDUSSCGKSA-N	305.378	1.247	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)Nc2ccc(Cl)cc2)C1	858981234	DAUAPCHSNZNHGB-XYPYZODXSA-N	312.757	1.853	50	20	DDGD	
Cn1nncc1C=NNC(=O)COc1ccc2ccccc2c1	751131354	UCOARYPIZDOGFZ-UHFFFAOYSA-N	309.329	1.497	50	20	DDGD	
CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)NNC(=O)CC(C)C	852691985	NXCYNURBMAIWEK-XHDPSFHLSA-N	313.398	1.485	50	20	DDGD	
NC(=O)c1ccc(/C=C\C(=O)NNC(=O)NC2CCCCC2)o1	854192546	OYMRBNGWLDSXAN-CLFYSBASSA-N	320.349	1.055	50	20	DDGD	
C[C@@H]1CCN(C(=O)NC[C@]2(C)C[C@H]2Br)C[C@H]1CN	857105315	JFFZUTJZBQSVOB-UZWSLXQKSA-N	318.259	1.786	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cccc(N2CCCC2=O)c1	755536536	KRMNFNQPKPMLHF-UHFFFAOYSA-N	320.349	1.003	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)CCCc1ccccn1)C1CC1	855100479	CTPWUPZHROAMMH-NSHDSACASA-N	306.435	1.698	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cn(C)nc1C(F)F	755135523	UWBHGCTYZRMGII-UHFFFAOYSA-N	324.287	1.441	50	20	DDGD	
COc1ncncc1NC(=O)NNC(=O)Cc1ccccc1F	757691129	VCOZHENRYOPAOG-UHFFFAOYSA-N	319.296	1.020	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNc1cccc(C(F)(F)F)n1	759094008	JZGKLDAUPNBFBK-SSDOTTSWSA-N	305.256	1.743	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1csc([C@@H]2CCCO2)n1	854923272	PBOVZWUAGKIMLI-QMMMGPOBSA-N	300.409	1.076	50	20	DDGD	
CO[C@H](C=NNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C)C1CC1	853373707	LCVHUXZPNNUDCZ-MGPQQGTHSA-N	320.393	1.415	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@]2(C)CCOC2)c1C	853732141	WFVFBVGXLXFVCV-MRXNPFEDSA-N	321.377	1.834	50	20	DDGD	
CC(C)c1ncc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)s1	853389248	YBNVLHGVCMLSKZ-YPMHNXCESA-N	322.434	1.580	50	20	DDGD	
C[C@@H]1CSCCN(C(=O)NNC(=O)c2cccc(C#N)c2)C1	753131557	UKMLYCIPEMSLIF-NSHDSACASA-N	318.402	1.598	50	20	DDGD	
C[C@@H](Oc1cccc(F)c1)C(=O)NNC(=O)OCC(F)(F)F	856024979	GTZSSKFGFWMHDS-SSDOTTSWSA-N	324.230	1.913	50	20	DDGD	
C[C@H](C(=O)NNc1cccnc1Cl)n1nnnc1C(C)(C)C	758318578	OCINMUQUEYQTLV-MRVPVSSYSA-N	323.788	1.723	50	20	DDGD	
Cc1ccn(C)c(=O)c1NC(=O)NNC(=O)c1ccccc1F	757630799	MPUCTJKEUCPUJY-UHFFFAOYSA-N	318.308	1.299	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)C(C)(C)C)c1cnn(C)c1C	853407304	MUPAFXFNSQHWRH-UHFFFAOYSA-N	321.425	1.511	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cc(O)ncc1Br	932517479	YDYLSKRKLSJFLJ-UHFFFAOYSA-N	314.139	1.111	50	20	DDGD	
COC(=O)C1CCC(=NNC(=O)c2sc(N)nc2C)CC1	754924635	YJOLZIUNXXCIMJ-UHFFFAOYSA-N	310.379	1.483	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1ccc([N+](=O)[O-])cc1F	855622784	LMYBBTAKKOCTNQ-UHFFFAOYSA-N	312.301	1.483	50	20	DDGD	
CCc1nc(C)c(C(=O)NNc2ccc(C(=O)OC)cn2)s1	759722047	VCGXFLVYUUYUAK-UHFFFAOYSA-N	320.374	1.952	50	20	DDGD	
CC1(C)CCC(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1	764680269	BVQYXJJLBYQFNU-GFCCVEGCSA-N	315.439	1.675	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)c1cccc(OC(F)F)c1)C(C)C	769926737	YSVUBRHSDBMDBL-NSHDSACASA-N	316.304	1.720	50	20	DDGD	
CCCc1ccc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC)s1	869936804	JRUDSJIQHXBKTH-VIFPVBQESA-N	312.391	1.803	50	20	DDGD	
Cc1cccc(NNC(=O)c2cn(CC(=O)C(C)(C)C)nn2)n1	862522097	IWJKIKQBVPTOQM-UHFFFAOYSA-N	316.365	1.354	50	20	DDGD	
C[C@H](NNC(=O)c1ccc(N2CCOC2=O)cc1)C(F)(F)F	862309597	NFKKQGGAODTBSP-QMMMGPOBSA-N	317.267	1.828	50	20	DDGD	
CCO[C@H]1CCCC1=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1	766431169	DQZKPFXFBYNYDM-ZDUSSCGKSA-N	306.322	1.852	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)C1=Cc2cc(F)ccc2OC1	761175751	DCKSXOCKFPFZKO-UHFFFAOYSA-N	313.288	1.458	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2=C(C)N(C(C)C)CC2)nc1	935110303	VOYVRIHDAWMGDW-UHFFFAOYSA-N	318.377	1.699	50	20	DDGD	
C[C@H](O)C[C@@H]1COCCN1C(=O)[C@H](Br)C(C)(C)C	768553435	NZYIIXHSBYXOIB-AXFHLTTASA-N	322.243	1.794	50	20	DDGD	
Cc1ccc(SCCC(=O)NNC(=O)c2cn[nH]c2)cc1C	862473957	JAJOLJFUDCTPGW-UHFFFAOYSA-N	318.402	1.970	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@@H]1CCCCNC1=O	767029877	MROBAYRUJUQLOO-RKDXNWHRSA-N	305.216	1.581	50	20	DDGD	
C=C(CN(C)C)C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	763923607	JVUDXIFCFCWEDP-AWEZNQCLSA-N	319.405	1.336	50	20	DDGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1n[nH]cc1[N+](=O)[O-]	764566450	FJFMTHRMRKAFTF-UHFFFAOYSA-N	322.228	1.550	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)NCC2CC2)cc1C	768561509	AFXGIBDQDVHNQK-UHFFFAOYSA-N	307.350	1.123	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1	761624414	JRNWMGBIRQWROI-SNVBAGLBSA-N	324.337	1.065	50	20	DDGD	
CSCc1nnc(SCC(=O)NNC(=O)C(C)(C)C)o1	768289014	OJIAJEHVANDCHJ-UHFFFAOYSA-N	318.424	1.218	50	20	DDGD	
COCC#CC(=O)NNC(=O)c1cc2c(s1)CCCCC2	1118610603	ZKJFVJGJAQDCMY-UHFFFAOYSA-N	306.387	1.428	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2ccc(OC(F)F)cc2F)N1	872392670	UIUFLBITFMDLAM-JTQLQIEISA-N	315.251	1.156	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1ccc(N(C)C)s1	874110645	OXJYRHOGTBHKBT-UHFFFAOYSA-N	309.420	1.925	50	20	DDGD	
CN(Cc1ccccc1)CC(C)(C)C=NNC(=O)C[N+](C)(C)C	1116885895	BZNUMHWDRVNSJE-UHFFFAOYSA-O	319.473	1.953	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2cnn3ncccc23)c1	765463251	DIUQVXYREQAERI-UHFFFAOYSA-N	301.281	1.634	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)O[C@@H]2CCCN(C)C2=O)c1	764506080	MICQWTYYPFFIOK-BMQCOBNYSA-N	314.341	1.766	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C	875126643	SJMWBZIJYYHUCR-LBPRGKRZSA-N	312.345	1.341	50	20	DDGD	
CCCn1cc(C=NNC(=O)COc2ccccc2CC)nn1	872330032	DTUNZFBWQSXFDJ-UHFFFAOYSA-N	315.377	1.780	50	20	DDGD	
OB(O)c1ccccc1CN[C@H]1CC2(CCC2)Oc2ccccc21	877095680	SMPFIZYTBLUTRM-KRWDZBQOSA-N	323.201	1.903	50	20	DDGD	
CCN1CC[C@H](NC(=O)NNc2cccc(F)c2Cl)C1=O	875567663	KZVGCUSGWZHEBV-JTQLQIEISA-N	314.748	1.726	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCN(C)[C@@H]2C)c1	874951558	DWDLDEJZAPDYQN-BXUZGUMPSA-N	316.430	1.326	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C	875574463	NYVNBPVCVPLRTO-TZMCWYRMSA-N	322.409	1.899	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@H]1C=NNC(=O)[C@H]1CCCO1	872376789	MZHMFGZCSPMCQK-YNEHKIRRSA-N	306.366	1.262	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])C1(Br)CC1	873739159	UEQQCWXURGBWSW-UHFFFAOYSA-N	300.112	1.965	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(C(F)(F)F)nn2)nn1C	1116525750	LMIBNVXVJJRQKT-UHFFFAOYSA-N	314.271	1.548	50	20	DDGD	
CC[C@@](C)(CC(=O)O)C(=O)NNC(=O)c1cccc(Cl)c1	872831562	NAAZZLVFQVZXME-AWEZNQCLSA-N	312.753	1.992	50	20	DDGD	
CCOc1ccc(NCc2ccccc2B(O)O)cc1OCC	876820549	PAZLHXQWTOERTF-UHFFFAOYSA-N	315.178	1.776	50	20	DDGD	
CC(CCc1c[nH]c2ccccc12)=NNC(=O)[C@H]1CCC(=O)N1	872392455	LVOYFEMOWTUCKY-OAHLLOKOSA-N	312.373	1.871	50	20	DDGD	
CN(C)c1ccncc1C=NNC(=O)c1ccc2c(c1)OCO2	776183164	JQQDKSIWQVRZKA-UHFFFAOYSA-N	312.329	1.640	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)Cc1c(C)noc1C	773620399	PMKHHIGOLGNQFD-UHFFFAOYSA-N	321.308	1.903	50	20	DDGD	
Cc1cc(O)cc(=O)n1CC(=O)OC[C@@H](C)CBr	770393318	UQSUMLJBKURICI-QMMMGPOBSA-N	318.167	1.437	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@H](O)c1cccnc1	772504641	YIKKAGPJESGCPH-ZDUSSCGKSA-N	322.796	1.597	50	20	DDGD	
O=C(CC1COC1)NNc1nc(-c2ccc(Cl)cc2)no1	771625050	IMXSPDMXCVRQCS-UHFFFAOYSA-N	308.725	1.870	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)Cc1cc(C)ccc1C	772087681	JWHHHWNMCPQUKS-LBPRGKRZSA-N	306.362	1.335	50	20	DDGD	
CCCCNC(=O)NN=Cc1ccc(N2CCN(C)CC2)cc1	771563859	OAGGDWBWMSCXEG-UHFFFAOYSA-N	317.437	1.872	50	20	DDGD	
Cc1nscc1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	771500413	RSDFVNNYGDSCCT-LBPRGKRZSA-N	319.342	1.053	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1ccon1	772962723	DBLUQMHSABYNGQ-QMMMGPOBSA-N	309.709	1.557	50	20	DDGD	
COC(=O)c1cc(NC[C@@]2(C)C[C@H]2Br)ncn1	882645644	GXIORCXLHVZMJT-LDYMZIIASA-N	300.156	1.849	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2ccccc2O)nc1C	778430210	XSDVMDRLPDPLQG-UHFFFAOYSA-N	316.317	1.424	50	20	DDGD	
Cc1nc(CCCC(=O)NNC(=O)c2cccnn2)cs1	882057640	FCROJQKKXFYSKS-UHFFFAOYSA-N	305.363	1.025	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)n1cc(-c2c(F)cccc2F)nn1	881292572	DJLRYZWMHTYDTJ-QMMMGPOBSA-N	323.303	1.342	50	20	DDGD	
C[C@@H]1NC(=O)[C@@H](C)N(S(=O)(=O)CC(C)(C)CCl)[C@H]1C	882312870	FUZBIUROGVRUNW-LPEHRKFASA-N	310.847	1.179	50	20	DDGD	
CC(C)[C@H](NC1CCOCC1)C(=O)NNc1ccc(F)cn1	881463213	KWONOTRHTDDUFH-AWEZNQCLSA-N	310.373	1.457	50	20	DDGD	
COc1ccnc(NNC(=O)c2cn(C)nc2-c2ccoc2)n1	789893613	MAKNUFBUPNVUPE-UHFFFAOYSA-N	314.305	1.236	50	20	DDGD	
C[C@@H]1CCCCN1[C@H](C)CNS(=O)(=O)CBr	782413611	BIJBAJRYGXDDCI-NXEZZACHSA-N	313.261	1.521	50	20	DDGD	
CCc1ncoc1C(=O)NNC(=O)c1cccc(N(C)C)c1	1120788841	BXAFVFFKEPZPBY-UHFFFAOYSA-N	302.334	1.378	50	20	DDGD	
Cn1cncc1C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	788297924	DRSXQSCHXYMSGB-UHFFFAOYSA-N	318.724	1.880	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCCNc1ncccn1	787178332	VBDQOENMLWOFOA-JLHYYAGUSA-N	309.329	1.317	50	20	DDGD	
COCC(=NNC(=O)Cc1ccccc1F)C1CCOCC1	780224258	BPGBJIQUDILECG-UHFFFAOYSA-N	308.353	1.913	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2cccnc2Cl)cn1	784842000	GHJRZPUTAPNFOW-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
C=CCNc1ncc(C(=O)NNC(=S)NC(C)(C)C)s1	899993608	ZWTAPEVMBKDSRA-UHFFFAOYSA-N	313.452	1.648	50	20	DDGD	
O=C(NN=C[C@H]1CCSC1)C1CCN(c2ncccn2)CC1	782229372	DJZCVWSYKDPWKN-GFCCVEGCSA-N	319.434	1.548	50	20	DDGD	
CO[C@@]1(C(=O)NNc2cnc3ccccc3n2)CCSC1	897585913	ZMDRFJZSWVAHSY-AWEZNQCLSA-N	304.375	1.595	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)n1	780771838	CSYNTNZPSVKRRC-LLVKDONJSA-N	312.329	1.872	50	20	DDGD	
Cc1nc(-c2ccccc2NC(=O)NNC(=O)CO)cs1	797669669	VCVFFGJUDKAVHA-UHFFFAOYSA-N	306.347	1.264	50	20	DDGD	
Cc1cc(C)n2nc(NC(=O)NNc3cccc(F)n3)nc2n1	796639362	NQWDWSWVFLWOML-UHFFFAOYSA-N	316.300	1.424	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)c3cccn32)n1	794077154	SQVRVSGWDWOJSH-ZDUSSCGKSA-N	312.329	1.170	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)/C=C/COC)cc1	791296827	MIBNLBTZPWGVLV-FYJFLYSWSA-N	322.361	1.203	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=Cc1ccc2occc2c1	794918631	UNTTYEIYYPYPLU-UHFFFAOYSA-N	322.324	1.708	50	20	DDGD	
CSSCCNC(=O)N[C@H](C)C(=O)NCc1ccco1	790693309	VJYSTLPRRMMOAA-SECBINFHSA-N	317.436	1.595	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1[nH]c(C)c(C(C)=O)c1C(C)C	798305750	DSECFZXCPFAVKV-UHFFFAOYSA-N	322.434	1.944	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCc2ccccc2C)n1	792772752	AVFHFFLTYCCBLA-UHFFFAOYSA-N	312.373	1.885	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)Cc2ccccc2F)cn1C	790161305	DYBDOPRQIBPALK-UHFFFAOYSA-N	317.320	1.644	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1ccc2c(c1)OCCO2)C(F)F	791488994	XCNSZXQRTBFTOM-UHFFFAOYSA-N	314.288	1.510	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](C(=O)NNC(=O)c2cccc(C)n2)C1(C)C	794076162	NHMAHHYDOWMUKI-NWDGAFQWSA-N	303.362	1.402	50	20	DDGD	
CN(C)c1cccc(CCC(=O)NNc2ncc(F)cn2)c1	792284191	FMINBNQQAYGUHR-UHFFFAOYSA-N	303.341	1.758	50	20	DDGD	
COc1ncc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])cn1	790591270	KDTKFOSIDMVMGH-UHFFFAOYSA-N	307.241	1.289	50	20	DDGD	
C[C@@H](NC(=O)NNc1nc2ccccn2n1)[C@@H]1CCCOC1	790466648	YKFLQNTVABXYCC-GHMZBOCLSA-N	304.354	1.171	50	20	DDGD	
C[C@@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)CBr	796114611	MPWWQVBTWSSAIT-ZJUUUORDSA-N	311.245	1.227	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)Cc1ncccc1F	792303417	FXLYKDYEOXVLRQ-UHFFFAOYSA-N	303.293	1.693	50	20	DDGD	
CC(C)(C)NCC(=O)NNC(=O)c1cncn1-c1ccccc1	1318260016	CXDJKOOLXVODLU-UHFFFAOYSA-N	315.377	1.021	50	20	DDGD	
N#Cc1ccccc1COc1cccc(C=NNC(=O)CCO)c1	1319074138	SGGSGMCQYKHZKA-UHFFFAOYSA-N	323.352	1.970	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@H]2CCC[C@H]2OC)cc1	1319799383	UXBCRLXLRCLGQE-TZMCWYRMSA-N	321.377	1.454	50	20	DDGD	
Cc1ncncc1C(=O)NNC(=O)c1cc(-c2ccccc2)on1	1317960807	LSVFPVXDXXOPBI-UHFFFAOYSA-N	323.312	1.515	50	20	DDGD	
COc1ccc2cc(C(=O)NNc3nccn(C)c3=O)ccc2c1	1318974989	XAKYACPEDLOXDM-UHFFFAOYSA-N	324.340	1.699	50	20	DDGD	
CSC[C@@H](C)C(=O)NNC(=O)c1cncn1-c1ccccc1	1318413912	PLNFTMIAVXSFLJ-LLVKDONJSA-N	318.402	1.632	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(F)c(C#N)c2)cc1	1321855823	CZLFZCDDLSPZFN-UHFFFAOYSA-N	313.288	1.781	50	20	DDGD	
Cc1csc(CCC(=O)NNc2nncc(N)c2Cl)n1	1320947753	LCIOWGMKURDRGJ-UHFFFAOYSA-N	312.786	1.553	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1ccc2nnc(C(F)F)n2c1	1322520254	JSLZQYLZSGJAQU-UHFFFAOYSA-N	322.250	1.958	50	20	DDGD	
CN1C(=O)C[C@@H](C(=O)NNc2ncncc2F)c2ccccc21	1324359062	FMGMYIFYSVGDSM-SNVBAGLBSA-N	315.308	1.209	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C(C)(C)c1ccc2c(c1)OCO2	1327773847	VHAWRWIRAXWAFQ-UHFFFAOYSA-N	323.418	1.597	50	20	DDGD	
CC(=O)N[C@@H](C)C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	1324509193	NEEHMDGJGHWGAO-LURJTMIESA-N	300.702	1.216	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(N2CCOC2=O)ccc1F	1251220364	LPYZLRXMPWOQCO-UHFFFAOYSA-N	312.257	1.175	50	20	DDGD	
COc1cccc(C(=O)NNc2nncc(N)c2Cl)c1OC	1253123732	KVSPFELRZTXXMJ-UHFFFAOYSA-N	323.740	1.486	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCc1ccc2c(c1)CCO2	1252800973	GCMXLTGNKSDHRQ-UHFFFAOYSA-N	314.345	1.047	50	20	DDGD	
C[C@]1(COC(=O)c2ccc(C(N)=O)o2)C[C@H]1Br	1263536578	ATTBWPBJNPJAKS-LDYMZIIASA-N	302.124	1.709	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1c(Cl)cccc1N(C)C	1341340805	CVCRIIOXMLLDAC-UHFFFAOYSA-N	310.785	1.381	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)NC(C)C)c(Cl)n1	1354384987	WHULNUQSQSBKKH-UHFFFAOYSA-N	302.787	1.261	50	20	DDGD	
O=C(O)Cc1ccc(CNS(=O)(=O)CCCCCl)cc1	1608776504	OKIHAZVKIVUIIK-UHFFFAOYSA-N	319.810	1.752	50	20	DDGD	
O=C(NN=C1C[C@H]2C[C@H](C(=O)O)[C@H]1C2)c1n[nH]c2c1CCCC2	1608477132	FUXRPULCQOURTC-IEBDPFPHSA-N	316.361	1.505	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNc1cccc(F)c1C(=O)O	1608023310	JDETYHFGAJGZBG-UHFFFAOYSA-N	307.281	1.815	50	20	DDGD	
O=C(O)[C@]1(C(F)(F)F)CCN(S(=O)(=O)CCCCl)C1	1608569027	IXQLBFPXALBFDR-QMMMGPOBSA-N	323.720	1.284	50	20	DDGD	
Cc1cccnc1CC(=NNC(=O)NCC(=O)O)C(F)(F)F	1600591465	JLHQNKABHZWUPI-UHFFFAOYSA-N	318.255	1.235	50	20	DDGD	
C[C@@H](Oc1ccccc1C=NNC(=O)CC(F)(F)F)C(=O)O	1604444010	VNSZAHUBVORRAA-MRVPVSSYSA-N	318.251	1.941	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H](O)c2ccccc2)cc1F	1608904249	NYXMYZIUGSGOHP-CYBMUJFWSA-N	304.277	1.701	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=C1CCC[C@H](C(=O)O)C1	1601372379	FJOZDHZZRRWXKG-NSHDSACASA-N	314.345	1.624	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)c1n[nH]c2c1CCCC2	1610852274	MZQDCRAPYPYMTJ-UHFFFAOYSA-N	300.318	1.744	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@H]2CCC(=O)c3cccn32)c1	1610848365	GCLIBVMHOAXUSN-ZDUSSCGKSA-N	313.313	1.847	50	20	DDGD	
Cn1c(C=NNC(=O)c2c[nH]c3ccccc23)ccc1C(=O)O	1610597794	PWKIFRYGJJPITJ-UHFFFAOYSA-N	310.313	1.969	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1[N+](=O)[O-])[C@H](F)[C@H]1CCNC1	1580736906	BTFUXZUQANRVCA-WRWORJQWSA-N	316.720	1.639	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cnn(C)c2)C1	1842445073	QTNVPOFNZAMKIG-GFCCVEGCSA-N	324.812	1.255	50	20	DDGD	
C[C@H](CBr)COC(=O)Cn1cc(C(=O)O)cn1	1592211216	KGIFVLWMNGZHCF-SSDOTTSWSA-N	305.128	1.156	50	20	DDGD	
CN(NC(=O)Nc1ccn(C(C)(C)C(=O)O)n1)c1ccccn1	1593766701	XTZJBRZZMUITRX-UHFFFAOYSA-N	318.337	1.271	50	20	DDGD	
CSc1nccnc1C(=O)NNc1ccc(CC(=O)O)cc1	1599829986	UJLSKBICSMKEGI-UHFFFAOYSA-N	318.358	1.583	50	20	DDGD	
CCc1ncncc1C(=O)NNc1cccc(F)c1C(=O)O	1597708880	AURLPLGEXZTUGJ-UHFFFAOYSA-N	304.281	1.633	50	20	DDGD	
Cc1ccc(NNC(=O)C2(CC(=O)O)CCOCC2)cc1F	1594373194	HTANLUNLLUTVOV-UHFFFAOYSA-N	310.325	1.849	50	20	DDGD	
O=C(O)Cn1cc(C=NNC(=O)c2ccon2)c2ccccc21	1776106006	NALCWNLJAAVNQQ-UHFFFAOYSA-N	312.285	1.478	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)c1ccccn1	14235910	DOGNDEFRNJHYRD-YGRLFVJLSA-N	313.313	1.071	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc(C)ccc2O)cc1	16508929	CJYZGHSRGMNRCX-UHFFFAOYSA-N	300.314	1.784	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2SCCc3ccccc32)[nH]n1	151226686	ITHDKBCEHDPZDE-CYBMUJFWSA-N	316.386	1.510	50	20	DDGD	
CCOCCC1(C(=O)NNC(=O)Cc2cccnc2)CCCC1	152475333	DCTQSKSBGRBSSY-UHFFFAOYSA-N	319.405	1.759	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)Cc1cc(C)[nH]n1	152350940	RSJNHHYMZOJIRF-UHFFFAOYSA-N	322.752	1.384	50	20	DDGD	
CN(CCC1CCOCC1)C(=O)NNC(=O)c1ccccc1	153227064	ZPSROQYIOBWVGL-UHFFFAOYSA-N	305.378	1.790	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)CCCNC(=O)c1cccnc1	153513714	XKBRLQHTYRSKAB-UHFFFAOYSA-N	320.393	1.175	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNc1nc2ccccc2c(=O)n1CC	155037817	DVWAMNGBPDWGJF-LLVKDONJSA-N	318.377	1.675	50	20	DDGD	
CCCNC(=O)NNC(=O)Cc1csc(-c2ccoc2)n1	157285367	SHKBBNAMVDYGOG-UHFFFAOYSA-N	308.363	1.686	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)CCc2ccccc2)[nH]n1	154163173	JVHNVHLKZXKJIZ-UHFFFAOYSA-N	300.362	1.756	50	20	DDGD	
CC(C)(C)CCC(=O)NNC(=O)COc1ccc(C#N)cc1	154766102	IPNDIYGXJXNCDK-UHFFFAOYSA-N	303.362	1.911	50	20	DDGD	
CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(CCl)cc1)C(N)=O	919955732	JFUUOUAXLKPTCB-CABZTGNLSA-N	318.826	1.604	50	20	DDGD	
CN1CCC(NS(=O)(=O)c2ccc(CCl)cc2)CC1	225882140	FMZOKSWWNSACHH-UHFFFAOYSA-N	302.827	1.798	50	20	DDGD	
CN(Cc1nccn1Cc1ccccc1)S(=O)(=O)CCl	830719404	ABOLSDVOFJEHEX-UHFFFAOYSA-N	313.810	1.889	50	20	DDGD	
CC1([C@@H]2CCCN(S(=O)(=O)CCCCl)C2)OCCO1	882063146	QYTUSTAQBKRIAC-LLVKDONJSA-N	311.831	1.420	50	20	DDGD	
CC(C)NC(=S)NNC(=O)COc1ccc(F)cc1Cl	6827708	VXDYRAATHSPCHX-UHFFFAOYSA-N	319.789	1.762	50	20	DDGD	
O=C(Cc1noc2ccccc12)NNC(=O)c1ccccc1F	8141910	BQUQCCJZCXKOLM-UHFFFAOYSA-N	313.288	1.971	50	20	DDGD	
CN1CCCc2cc(CNC(=O)NNc3ncccn3)ccc21	57661905	GETYUBLYJRTLII-UHFFFAOYSA-N	312.377	1.685	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cc(-c2ccncc2)on1	103423528	DDDDVBWEZGITII-UHFFFAOYSA-N	323.312	1.135	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	55555451	ITUGPEJQXNDDLU-UHFFFAOYSA-N	323.252	1.126	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCO1)c1ccc(Br)s1	28633855	JCYPXWIDKFCNEI-ZCFIWIBFSA-N	319.180	1.451	50	20	DDGD	
COc1ncccc1C(=O)NNC(=O)c1cccc2ncccc12	106811541	KERUGZRAUOFVSU-UHFFFAOYSA-N	322.324	1.713	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccc2c(c1)C(=O)NC2=O	65771958	VBLVINUCNPPNNH-UHFFFAOYSA-N	320.305	1.131	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC[C@@H](C)COC)c1ccccc1	171848083	KARUHDFYKJYHNP-OCCSQVGLSA-N	307.394	1.793	50	20	DDGD	
Cc1cccc(CSCC(=O)NNC(=O)NCC2CC2)c1	65193495	RJHSQOOFIAAMPR-UHFFFAOYSA-N	307.419	1.969	50	20	DDGD	
Cc1ccccc1O[C@H](C)CNC(=O)NNc1cccnn1	75307677	HLLSRAUWIWONCQ-GFCCVEGCSA-N	301.350	1.879	50	20	DDGD	
CSc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)NC2CC2)c1	64429099	VCAVAJQOFUHRNH-UHFFFAOYSA-N	310.335	1.423	50	20	DDGD	
CN(C)CC[C@@H](NC(=O)NNC(=O)C(C)(C)C)C(C)(C)C	116431474	HHEUHDTYAORTLC-LLVKDONJSA-N	300.447	1.729	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)NCCc1cccs1	66337408	GYUCNIZEESJTND-LLVKDONJSA-N	311.407	1.602	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(N2CCN(C)CC2)cc1	178949075	JPUSYHDPEQAKPC-BUHFOSPRSA-N	314.389	1.821	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)NNc1cc(Cl)ccn1	183035171	LYSPFKVJWNCUCK-UHFFFAOYSA-N	305.787	1.249	50	20	DDGD	
CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)CCCCl	37842632	XYCTUCSQXXMTAL-UHFFFAOYSA-N	306.771	1.985	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNC(=O)c1cccc(OC)c1O	68542383	BJLFOUSCAPFKRK-JTQLQIEISA-N	310.350	1.367	50	20	DDGD	
Cc1cc(NNC(=O)c2c(C)nn(CCCl)c2C)nc(C)n1	176886789	KXYBJDCHSDZQAY-UHFFFAOYSA-N	322.800	1.902	50	20	DDGD	
Cn1nnc2ccc(C(=O)NNc3nnc(C4CC4)s3)cc21	184506819	RHSCWMCFOSUFJE-UHFFFAOYSA-N	315.362	1.454	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)Cc2cc(C)[nH]n2)c1	125460356	VCSGTZRNQFHXCB-UHFFFAOYSA-N	316.361	1.104	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H](C)c2c(C)noc2C)nn1	120065010	BQFAQEFSJZMNCI-QMMMGPOBSA-N	304.354	1.820	50	20	DDGD	
COC[C@H](C)n1ccc(NC(=O)NNC(=O)CC2CCCC2)n1	189875202	OSBXYCADPKGAFU-NSHDSACASA-N	323.397	1.824	50	20	DDGD	
CO[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)Cc1ccc(F)cc1	75100497	UFBCUFYPFOVUFW-KBPBESRZSA-N	323.368	1.656	50	20	DDGD	
Cc1ccc(NNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1	120099938	MHIUWBDFLVVWBJ-INIZCTEOSA-N	316.361	1.159	50	20	DDGD	
Cc1ccccc1OCCCC(=O)NNC(=O)[C@@H]1CCCO1	32260677	KGNRKOBKZVLUKP-AWEZNQCLSA-N	306.362	1.480	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C2(O)CCCC2)c1	122738939	DIHYMPPLKQVSSL-UHFFFAOYSA-N	306.362	1.135	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Nc2ccc3ccn(C)c3c2)cn1	186108779	OHZSXGHRQOPSRJ-UHFFFAOYSA-N	312.333	1.378	50	20	DDGD	
CC(C)C(=O)NCCN(C)C(=O)/C(C#N)=C\c1ccc(F)cc1	183863332	QQRLYCZYMQQHAV-UVTDQMKNSA-N	317.364	1.963	50	20	DDGD	
CC(C)(O)CN1CCN(C(=O)c2cccc(CCl)c2)CC1	71380745	AOADJLJTEKAYKW-UHFFFAOYSA-N	310.825	1.954	50	20	DDGD	
CC1CCN(CCNC(=O)NNc2cccc([N+](=O)[O-])c2)CC1	46369036	SKJBXTAPLUCOLJ-UHFFFAOYSA-N	321.381	1.953	50	20	DDGD	
CCCNC(=O)c1cccc(C(=O)NNC(=O)NCC2CC2)c1	132036194	AYVDSIYHZRJSPV-UHFFFAOYSA-N	318.377	1.180	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CSCc2ccco2)c1	133176128	XFLIITMVQMDXJX-UHFFFAOYSA-N	315.354	1.846	50	20	DDGD	
CCCN1CC[C@H](CNC(=O)NNc2nc3ccccn3n2)C1	191539239	LVPJBWFVENKTQW-GFCCVEGCSA-N	317.397	1.087	50	20	DDGD	
O=C(CN1CCCC1=O)NNC(=O)c1cccc2ccccc12	194353223	HTPZVDMYFQMEHT-UHFFFAOYSA-N	311.341	1.223	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccn(CCOC)n2)cc1	190407613	GFISHVVFAUNHGF-UHFFFAOYSA-N	316.361	1.167	50	20	DDGD	
CCO[C@H](CCNC(=O)NNC(=O)Cc1cccnc1)C(C)C	80713513	PDESLSWGMHZGOW-CQSZACIVSA-N	322.409	1.406	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NNC(=O)CSc1ccc(C)cc1	220673528	PIHMGZDYMNRGLM-XFXZXTDPSA-N	319.386	1.679	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)C[C@H](c1ccccc1)C(F)(F)F	190071772	JYRJQIVPHQSDSU-SNVBAGLBSA-N	318.295	1.641	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccc[nH]2)cnn1-c1ccccc1	96991778	CAEXSKBAALWXES-UHFFFAOYSA-N	309.329	1.584	50	20	DDGD	
C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)NN[C@]1(C)CCS(=O)(=O)C1	246774381	AYZGJPQGXUXKPH-OWTLIXCDSA-N	317.455	1.192	50	20	DDGD	
CCC(=O)c1cccc(S(=O)(=O)NNC(=O)C2CCC2)c1	269391814	CTZJTQYAXXDYQG-UHFFFAOYSA-N	310.375	1.389	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCc1c(C)nn(C)c1C	266823017	RYFYPYGHLFDZOP-UHFFFAOYSA-N	315.377	1.490	50	20	DDGD	
CN(C)C(=O)c1cccc(NC(=O)NNC(=O)C2CCC2)c1	264698366	GHHUGQOVDSBIEO-UHFFFAOYSA-N	304.350	1.341	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)Cc1cccnc1)SC	266770655	PXEAYPPIOUTPGD-UHFFFAOYSA-N	324.450	1.876	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C(C)(C)C)cc1[N+](=O)[O-]	273972214	JWMMFJVWAYJDEO-UHFFFAOYSA-N	310.310	1.802	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc2nc(O)c(O)nc2c1	276934075	UVTVXRXADQSCCN-UHFFFAOYSA-N	320.305	1.211	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12	270194260	CHIASSFGHRKEFS-UHFFFAOYSA-N	318.333	1.812	50	20	DDGD	
CC(=O)NNC(=O)c1cnn(CC(C)C)c1-c1ccccc1	277158547	QVTYQMHZJFAAHB-UHFFFAOYSA-N	300.362	1.987	50	20	DDGD	
Cc1cc2[nH]ncc2cc1NC(=O)C(=O)NNC(=O)CC(C)C	276959292	LVJZNVWQTVBLTD-UHFFFAOYSA-N	317.349	1.003	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C	274042521	GIZCBPNYOVKLRS-QMMMGPOBSA-N	322.321	1.035	50	20	DDGD	
COc1ccc([C@H](O)CNS(=O)(=O)CBr)cc1	272798533	KUQBHCPNMLZZIH-SNVBAGLBSA-N	324.196	1.000	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CSC(F)(F)F)nc1	270385088	PDEUNEVLMQUTFC-UHFFFAOYSA-N	309.269	1.564	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NC1CCC1	278099991	JJZBHOZZUHFJLH-SECBINFHSA-N	311.769	1.990	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCSC[C@@H](C)C2)n1	279589273	CIZZMDWBRURHCJ-JTQLQIEISA-N	308.407	1.429	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1cnc2n1CCCC2	373943047	MYPFPELMGZKMFD-UHFFFAOYSA-N	313.361	1.994	50	20	DDGD	
CN(CC(=O)N1CC=C(C#N)CC1)C(=O)OCc1ccccc1	277255379	ZUGPXSXPAXQLKG-UHFFFAOYSA-N	313.357	1.937	50	20	DDGD	
COC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)CCCc1ccccc1	285449237	YIMWOFHBEWHVRP-KGLIPLIRSA-N	318.373	1.356	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NCC2C(C)(C)C2(C)C)n1	280458527	GYUVKQIHLXAPFB-UHFFFAOYSA-N	321.425	1.513	50	20	DDGD	
O=C1CCCC[C@@H](C(=O)NNC(=O)Nc2cccc(Cl)c2)N1	283770957	PESGMQWRTYBECW-NSHDSACASA-N	324.768	1.552	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cc3n(n2)CCCC3)o1	287225096	DTDOLCCXGHCQBW-UHFFFAOYSA-N	303.322	1.587	50	20	DDGD	
CC1=NN(c2ccc(C(=O)NNC(=O)[C@@H]3CCCO3)cc2)CC1	294532138	FWNMPEBGDQOSBE-AWEZNQCLSA-N	316.361	1.213	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)c[nH]1	802104406	BDNOCBDCJCGWIC-UHFFFAOYSA-N	313.273	1.082	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)[C@@H]1CCCO1)Cc1cccs1	293199840	ZJSAFNISXHILHG-JQWIXIFHSA-N	311.407	1.436	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccccc1NC(=O)C1CC1	292816237	XODRWEAKLKFDLS-UHFFFAOYSA-N	318.402	1.330	50	20	DDGD	
O=C(NCc1nccn1C(F)F)NNc1cccc(F)n1	805184370	QVOQZZFKCXDVDE-UHFFFAOYSA-N	300.244	1.639	50	20	DDGD	
O=C(NCC1=CCCCC1)NNc1ccc(-n2cccn2)nn1	297507528	GPKZXCQTMLOSMR-UHFFFAOYSA-N	313.365	1.789	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)COCC2CC2)cc1	802122404	NZFQXSHMQLKMNS-UHFFFAOYSA-N	306.366	1.332	50	20	DDGD	
C[C@@H](Cc1cncc2ccccc12)C(=O)NNC(=O)CN(C)C	806772023	YVNDJIIJQDDRDL-LBPRGKRZSA-N	314.389	1.122	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)C3(O)CCCC3)cc2C1	299251336	ZGWMKZGXYPRYOO-SNVBAGLBSA-N	322.430	1.939	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNC(=O)Nc1cc(F)cc(F)c1	296449221	OYAMDEQZGRYAKU-JTQLQIEISA-N	316.308	1.726	50	20	DDGD	
C/C=C(\C)C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	802065512	DAKXYUAEOWQYPA-RUDMXATFSA-N	311.363	1.209	50	20	DDGD	
COCCC1(C(=O)NNC(=O)Nc2ccc(OC)cc2)CC1	802054447	LVGHIXGSXXPUTC-UHFFFAOYSA-N	307.350	1.665	50	20	DDGD	
CN1C[C@H](C(=O)NNc2cc(C(F)(F)F)ccn2)CC1=O	295360582	NWUOBCWUDGOWRM-SSDOTTSWSA-N	302.256	1.022	50	20	DDGD	
CCO[C@H](C)C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	298506340	NHIARFNOTWWLND-OLZOCXBDSA-N	308.378	1.643	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)[C@H]1CCCN(C(=O)C2CC2)C1	297008170	RJJKDRFROUGAJU-JTQLQIEISA-N	324.331	1.452	50	20	DDGD	
C=C(C)C(C)(C)C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1	819816682	NDSZCALQGAIEMN-CHWSQXEVSA-N	311.426	1.235	50	20	DDGD	
Cc1cc(Cl)ccc1O[C@H](C)C(=O)NNc1cnnn1C	816769943	DAUKPYZNNQIUMZ-SECBINFHSA-N	309.757	1.688	50	20	DDGD	
CN(NC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1)C1CC1	819654145	YVIRUCMNQPINKK-CYBMUJFWSA-N	319.380	1.342	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCOC1)c1cccc(O[C@H](C)C(=O)O)c1	814914861	PQWAYFZDUNINHA-YPMHNXCESA-N	320.345	1.415	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=Cc2ccn(C)n2)cc1	814747232	LUNYILURECBTGS-LBPRGKRZSA-N	316.361	1.736	50	20	DDGD	
C[C@@H]1C(=NNC(=O)N2CCN(C)CC2)CC[C@@H](C(=O)O)C1(C)C	814913336	LRMZCVURLPZSII-NEPJUHHUSA-N	324.425	1.456	50	20	DDGD	
COc1cc(C=NNC(=O)c2cnccn2)cc(Cl)c1O	818285496	HXBIJIBBXWPVAR-UHFFFAOYSA-N	306.709	1.608	50	20	DDGD	
Cc1ccc(NNC(=O)NCC2(CC(N)=O)CC2)c(Cl)c1	817787347	NAPHBOYRWLERID-UHFFFAOYSA-N	310.785	1.930	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCCC[C@@H]1C	819933701	APOIPDRNWJGMAW-NWDGAFQWSA-N	300.399	1.749	50	20	DDGD	
CCC(=NNC(=O)NC)c1ccccc1OCC(=O)N(C)C	814814283	FNNPUVONBLSTPQ-UHFFFAOYSA-N	306.366	1.197	50	20	DDGD	
CN(NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1	729501350	KGIZVUPENSOOOY-LSDHHAIUSA-N	304.394	1.200	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1CCCC1=NNC(=O)Cc1cc[nH]n1	495649718	DWUZAQFBTWGLLA-LLVKDONJSA-N	321.381	1.502	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	495331998	SOWGYNNJPUUCTM-UHFFFAOYSA-N	311.382	1.098	50	20	DDGD	
COC(=O)NN=C1CCS(=O)(=O)c2cc(F)c(F)cc21	491321513	YHTUQJQJAZVUAO-UHFFFAOYSA-N	304.274	1.202	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@H]1CCCN(CCc2ccccc2)C1	823924320	ZBEDEDSIUSXMMM-RDJZCZTQSA-N	319.449	1.285	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CCCCN2CCCC2)c1	729373296	WXEUORFEXOIPDM-UHFFFAOYSA-N	314.389	1.585	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NNC(=O)C1CCC1	491330028	XXPOIICTFDWWOI-NSHDSACASA-N	311.382	1.333	50	20	DDGD	
CO[C@@H](C)CCNC(=O)NNC(=O)c1cc2c(s1)CCC2	726714793	WTBLUTZMGOTWRU-VIFPVBQESA-N	311.407	1.606	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(C(=O)O)cc2)nc1	820685406	RGFBJCYHXIURHF-UHFFFAOYSA-N	315.285	1.323	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)c1	822240046	POISTHFVWYVTFT-UHFFFAOYSA-N	301.285	1.399	50	20	DDGD	
C[C@@H]1CN(C(=O)/C(C#N)=C\c2cnn(C)c2)CCN(C2CC2)C1	491136920	WNPDFSFMUIWJSY-XKBFBRDOSA-N	313.405	1.270	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)O[C@H](C(N)=O)C(C)C)cc1	725914080	QCHIWMUZNGEMQG-UNJUUPHPSA-N	302.330	1.655	50	20	DDGD	
CCCC[C@@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)OC	491014566	XXIZDJBZHDYARQ-BWODNOAJSA-N	304.350	1.175	50	20	DDGD	
O=C(CS(=O)(=O)C1CC1)NNc1ccc(F)c(F)c1F	827510927	KWBXJAIKKORJPL-UHFFFAOYSA-N	308.281	1.124	50	20	DDGD	
C=CC[C@H](CC)NC(=O)NNC(=O)CNC(=O)OC(C)(C)C	496892148	NJYBHODMYNCLTP-JTQLQIEISA-N	314.386	1.196	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F	823912353	CYNLZERSRBOVKT-AMFGXWJMSA-N	308.344	1.945	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)c1cc(-c2ccccc2)on1	491700985	DQSPFZPEUQYOMK-UHFFFAOYSA-N	319.324	1.935	50	20	DDGD	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNc1ncncc1F	492855930	UQHRMYCIADRJCF-ZZXKWVIFSA-N	303.253	1.680	50	20	DDGD	
O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(B(O)O)c(F)c1	584926754	AJZBUHHHBWYJML-UHFFFAOYSA-N	317.169	1.204	50	20	DDGD	
Cc1nc(-c2c(C)noc2C)sc1C(=O)NN(C)C[C@H](C)O	821217540	KMAHGEWIQMGCBY-ZETCQYMHSA-N	324.406	1.681	50	20	DDGD	
Cn1ccnc(NNC(=O)[C@@H]2CCC[C@@H]2c2ccccc2)c1=O	826620782	UXFVBSNRQMVLIF-ZIAGYGMSSA-N	312.373	1.807	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)NC(=O)[C@@]1(C)C[C@H]1Br	909234634	DNJMDLRDUHDRRQ-UISBYWKRSA-N	300.200	1.641	50	20	DDGD	
C[C@]1(C(=O)N[C@H](CO)Cc2ccccc2)C[C@@H]1Br	907394671	QWCKATMETMJPRH-OBJOEFQTSA-N	312.207	1.880	50	20	DDGD	
Cc1cc(F)c2c(c1)CCCN2CC(=O)NNC(=O)C(C)C	828126864	RLGCAMZCJHVMMP-UHFFFAOYSA-N	307.369	1.690	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1	823947572	ZPSFEYYOAUUAKH-NSHDSACASA-N	301.346	1.203	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC2=N[C@H]3C=C[C@H]2C3)cc1	739400765	REOWQKPGWIATCG-AVGNSLFASA-N	315.373	1.830	50	20	DDGD	
Cc1nc(-c2ccsc2)ccc1C(=O)N1CC[C@@H](B(O)O)C1	585068647	CWGGQYKDPQRLBG-GFCCVEGCSA-N	316.191	1.807	50	20	DDGD	
C[C@]1(C(=O)NCC2(CS(C)(=O)=O)CC2)C[C@@H]1Br	906903276	QPCVFHZWKBZUGW-WPRPVWTQSA-N	324.240	1.101	50	20	DDGD	
CN(CCCNC(=O)/C(C#N)=C\c1cnn(C)c1)c1ccccc1	491049784	NWZNPLVLLRJBTC-WJDWOHSUSA-N	323.400	1.970	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2ccccc2[N+](=O)[O-])ccn1	731562311	VGKKRPOBSREHRK-UHFFFAOYSA-N	313.317	1.820	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNC(=O)[C@H]2CCCCO2)cn1	833235700	JVTNIJRNJVZJGW-LLVKDONJSA-N	306.366	1.104	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C1CC1)N(C(=O)OC(C)(C)C)C1CC1	496186718	OCECEQNIYZTFBU-SECBINFHSA-N	311.382	1.332	50	20	DDGD	
CS[C@@H]1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1	830878396	PRSLZEAHIOSUON-GFCCVEGCSA-N	311.382	1.024	50	20	DDGD	
CC(C)COc1ccc(NC(=O)c2cccc(B(O)O)c2)cn1	584949102	CVVDRODPCFNQMX-UHFFFAOYSA-N	314.150	1.049	50	20	DDGD	
COC[C@@H](NCc1cccc(B(O)O)c1)c1ccc(Cl)cc1	585039169	PFIFNOKRXGAOHW-MRXNPFEDSA-N	319.597	1.497	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)COc1ccccc1O)C(F)F	836510387	CMDLTJCUXSLERO-MRVPVSSYSA-N	317.292	1.145	50	20	DDGD	
CNC(=O)[C@@H]1CCCN(C(=O)[C@@]2(C)C[C@@H]2Br)C1	906645730	YLZWYHAUYVBLIA-PTRXPTGYSA-N	303.200	1.145	50	20	DDGD	
Cc1ccccc1-c1nc(CNS(=O)(=O)CCl)no1	831140615	MBCCLTFDHREPDE-UHFFFAOYSA-N	301.755	1.661	50	20	DDGD	
CC(C)COC(=O)[C@H](C)NC(=O)[C@@]1(C)C[C@@H]1Br	907166601	LEWPXHLTVCOSDS-AUTRQRHGSA-N	306.200	1.864	50	20	DDGD	
N#C/C(=C/c1cn(CC(=O)O)nn1)C(=O)c1cccc(F)c1	588598355	VEYMHLZIEPFXNB-YHYXMXQVSA-N	300.249	1.292	50	20	DDGD	
C[C@@H](Cc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CCCCO1	833250812	MNSPHYKXXFBKTB-SMDDNHRTSA-N	308.353	1.721	50	20	DDGD	
Cc1csc([C@H](NCc2ccc(B(O)O)cc2)C2CC2)n1	585027210	PCDZOOJIBUMFHW-CQSZACIVSA-N	302.208	1.372	50	20	DDGD	
COc1ccc(S[C@H](C)C(=O)N2CC[C@H](B(O)O)C2)cc1	585069928	UBRPAOXSCWUFDF-MNOVXSKESA-N	309.196	1.251	50	20	DDGD	
COC(=O)[C@H](NS(=O)(=O)CCl)c1ccc(F)c(C)c1	831121076	NFQZJZQMNOVNFO-SNVBAGLBSA-N	309.746	1.464	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1C(=O)Nc2c(F)ccc(C)c21	732711270	HDXQWYRQPNEMIS-UHFFFAOYSA-N	320.368	1.638	50	20	DDGD	
Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CC[C@H](B(O)O)C2)c1	585076987	PEEMWRHSOJYHRN-MNOVXSKESA-N	311.574	1.491	50	20	DDGD	
CC(C)C[C@H]1OCCC[C@H]1NCc1ccc(B(O)O)cc1F	585037290	XXRGOBUCPUULEQ-HZPDHXFCSA-N	309.190	1.189	50	20	DDGD	
Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1	584938125	IPTNZRXCBWBKQZ-OAHLLOKOSA-N	309.174	1.305	50	20	DDGD	
CN1CC[C@@H]2CN(C(=O)[C@]3(C)C[C@@H]3Br)C[C@@H]2C1	908295155	ZKEHQZNCRCVFKL-MPPDQPJWSA-N	301.228	1.570	50	20	DDGD	
CCOc1cccc(CC(=O)NN(C)C(=O)OC(C)(C)C)n1	838372281	MJTALCCBRHDLTA-UHFFFAOYSA-N	309.366	1.921	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)COCC(F)(F)F)c(F)c1	837207746	RPYXKPRRGFKIRL-UHFFFAOYSA-N	324.230	1.634	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNC(=O)c1cccc(C#N)c1	838776266	RRGOZIYTKSCSJN-OLZOCXBDSA-N	302.334	1.070	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H](C)CCSC	736386683	KMKAMTOLOOYBHV-SNVBAGLBSA-N	311.407	1.781	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	836729641	ZTDKUHNLOBUDIL-UHFFFAOYSA-N	320.349	1.535	50	20	DDGD	
COc1ccc(C2(CNCc3ccccc3B(O)O)CC2)cc1	585030553	GQRQFQTYNMAUJJ-UHFFFAOYSA-N	311.190	1.196	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)c2ccc3c(c2)OCCO3)n1	834937649	UWVDZMOFWDKMFL-UHFFFAOYSA-N	315.333	1.142	50	20	DDGD	
O=C(Cc1ccsc1)NN=Cc1cccc(-c2nn[nH]n2)c1	737974767	IJEPDCZCQIIHBC-UHFFFAOYSA-N	312.358	1.621	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1F)N[C@@H]1CCN(C2CC2)C1	918883874	RNAONJUEEDODRT-SECBINFHSA-N	314.311	1.967	50	20	DDGD	
Nc1cc(C(=O)NN=Cc2cccc(O)c2)cc([N+](=O)[O-])c1	916346437	BAIGSGPWXWMLOQ-UHFFFAOYSA-N	300.274	1.647	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@H](O)c1ccc(C(F)(F)F)cc1	910184304	OXWWVCXHVVFVBY-LDYMZIIASA-N	306.284	1.083	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNc1ccc(Br)cc1F	748213812	JXAOJKFBKUQIDB-UHFFFAOYSA-N	313.130	1.997	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](CCN)C(F)(F)F	841333589	ODFVYMBWUFQVHA-SNVBAGLBSA-N	318.299	1.219	50	20	DDGD	
O=C(NNS(=O)(=O)CCCCF)c1cccc(Cl)n1	849312581	FITCZASEXZWARZ-UHFFFAOYSA-N	309.750	1.049	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1	747585147	HIRLBNPOLMCRKY-RBSFLKMASA-N	316.405	1.923	50	20	DDGD	
COc1cc(C)c(NC(=O)NNC(=O)CCCN)c(C)c1C	841238065	PBONABLLEFRUGT-UHFFFAOYSA-N	308.382	1.512	50	20	DDGD	
CS[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	845334298	RJUIFVVBMIRDQV-NNYUYHANSA-N	315.439	1.416	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1cc(C)oc1C	916362419	JWWCGGQHFWHCON-NSHDSACASA-N	307.394	1.705	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)Cc2ccc(F)cc2)CCN1C	745855191	SIYRNPBAFFXBRP-FZMZJTMJSA-N	322.384	1.181	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNc1nc2ccccc2n1C	848381820	UTPVRZBKUAYDCX-JTQLQIEISA-N	304.350	1.606	50	20	DDGD	
CC(C)[C@@H]1C[C@H](CC(=O)NNC(=O)[C@H]2CCO[C@H]2C)CCO1	843659136	HLHIIXCJQDYQDL-CRWXNKLISA-N	312.410	1.400	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@H]1CCO[C@H](c2ccccc2)O1	847620142	HLYQGZXWBHHOMN-OCCSQVGLSA-N	318.308	1.563	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNc1ncnc2ccsc12)C(=O)O	848589799	ODXMRKNYDJPLIC-QMMMGPOBSA-N	323.378	1.674	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@H](C)c1cccc(-n2cccn2)c1	745930961	GPLSENTZSBIUJP-GFCCVEGCSA-N	315.377	1.920	50	20	DDGD	
Cc1ccc(C[C@H](C)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	843662507	RJAOMBNOWVBOBM-GUTXKFCHSA-N	304.390	1.746	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCCc2ccccc21	843640394	CHDSBUZMTLRJCQ-WHOFXGATSA-N	302.374	1.679	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)C[C@@H]2CC(=O)N2)C1	912582048	LQLQEJXUEIHJPC-RYUDHWBXSA-N	312.486	1.888	50	20	DDGD	
Cc1c(NNC(=O)NCCC2=CCNCC2)cccc1[N+](=O)[O-]	841988686	JQCLEZOJOKCUSM-UHFFFAOYSA-N	319.365	1.839	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1F)N[C@H]1CCCNC1	841944462	IHRPNUGGNXCBKT-VIFPVBQESA-N	314.748	1.175	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)COC2(C)CCC2)n1	746290711	QYMPKLAWKMWTMW-UHFFFAOYSA-N	307.398	1.725	50	20	DDGD	
C=C[C@@H](C)ONC(=O)NNC(=O)c1cc(OC)cc(OC)c1	845638513	HWLQEFBXEABGGV-SECBINFHSA-N	309.322	1.154	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H](C)Oc1ccc(C(F)(F)F)cc1	910159509	IUZDOODFTFAIAK-UWVGGRQHSA-N	320.311	1.817	50	20	DDGD	
C[C@@H]1OC(=O)N[C@@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	841440510	WKZKQCSVCRZEKA-XNCJUZBTSA-N	304.228	1.040	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H]2COc3ccccc3O2)nn1C	841605282	PQGGBTKVLYVFAL-AWEZNQCLSA-N	300.318	1.019	50	20	DDGD	
CCC(=O)N1CCC(=NNC(=O)c2cccc(N(C)C)c2)CC1	747317599	ZBHJUJULDZHYSZ-UHFFFAOYSA-N	316.405	1.871	50	20	DDGD	
COC[C@@]1(CNC(=O)NNc2ccc(Cl)nc2)CCCN1	841993675	LBCYDBOPECZMNK-ZDUSSCGKSA-N	313.789	1.130	50	20	DDGD	
CCC(=NNC(=O)COc1ccc(C#N)cc1)[C@@H]1CCOC1	741837159	KSHURPUXQXADON-CYBMUJFWSA-N	301.346	1.856	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1ccccc1OCC(=O)O	842555426	OEZCAGGNQIXAQB-CMPLNLGQSA-N	306.318	1.025	50	20	DDGD	
CO[C@H](C(=O)NNc1ncc(Br)cn1)C1CC1	848322138	QYIAZWHYHJHCJA-QMMMGPOBSA-N	301.144	1.107	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CC1(CSC)CC1	844385085	ZHTNFGDXWZNTNA-UHFFFAOYSA-N	308.403	1.990	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1cnc2cnccn12	746369378	XMIRLDXIKUONPG-CYBMUJFWSA-N	314.393	1.301	50	20	DDGD	
O=C(NN=Cc1ccc(-c2ccccc2F)o1)C(=O)NC1CC1	744827811	PFUJNAUPFUIVLA-UHFFFAOYSA-N	315.304	1.814	50	20	DDGD	
Cc1cc(C)c(C(=O)O)cc1C=NNC(=O)[C@H]1CCO[C@H]1C	842550161	WGNVREBEWTWYQP-AAEUAGOBSA-N	304.346	1.877	50	20	DDGD	
N#CC1=CCN(C(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)CC1	847632088	NWHWYFHBKHSCCL-SFHVURJKSA-N	309.369	1.517	50	20	DDGD	
CCOc1ccc(C[C@H](C)C(=O)NNC(=O)C(C)(C)O)cc1	840432023	DOKGENXHBOFTAG-NSHDSACASA-N	308.378	1.182	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@]1(c2ccccc2)CCCO1	929242983	QRABPLLNDRIZES-OAHLLOKOSA-N	305.403	1.374	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)CCc1ccccc1Cl	849304712	VXDMJQPOMLOBHR-UHFFFAOYSA-N	318.826	1.879	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc2c(C)cccn2c1	924487706	MXSHWXSWRBPMJC-LLVKDONJSA-N	317.345	1.350	50	20	DDGD	
O=C(NCc1nc2c(s1)CCCC2)NNC(=O)c1ccc[nH]1	926446668	TZRORDHUCKQBQS-UHFFFAOYSA-N	319.390	1.494	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2nc(S)oc2c1	843980096	RHGLDVJSIKWVDL-VXNVDRBHSA-N	321.358	1.303	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(C(F)(F)F)c(C)c1	756801900	FASWJNWACSIGGX-UHFFFAOYSA-N	305.256	1.813	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)CCSc1nnnn1C	855366501	BIEWBPBCKIEFKB-UHFFFAOYSA-N	310.358	1.283	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CC[C@]2(C)CCC(=O)N2)n1	753422761	LQWLJPPHYBVUNH-ZDUSSCGKSA-N	311.773	1.330	50	20	DDGD	
C#C[C@H](CC)NC(=O)NNC(=O)COc1ccc(C)c(C)c1	854069729	XPGNARRWJGWJRX-CYBMUJFWSA-N	303.362	1.424	50	20	DDGD	
CC[C@H](C)n1nc(NC(=O)NNC(=O)c2cnccn2)cc1C	757910431	LFQALFPAXBVAAM-VIFPVBQESA-N	317.353	1.419	50	20	DDGD	
COc1ccc(C[C@H](C)C=NNC(=O)C(=O)NC2CC2)cc1F	758100605	SWKQCOQKVBQNRL-JTQLQIEISA-N	321.352	1.394	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)C1=NN2CCCN=C2N1	854577439	AFRSMDOTYDQOJW-UHFFFAOYSA-N	314.393	1.540	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CN2CC[C@H]3C[C@@H]3C2)cc1C	852633695	CSJITRSPDKMQHJ-NWDGAFQWSA-N	321.446	1.722	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C2CN(C3CC3)C[C@@H]2C)c1	755886837	DMZIGQLBZSSFJD-NSHDSACASA-N	317.389	1.904	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)N[C@@H]2CCOC2)c1C	752704413	NKDGVCOTKGKSSC-CHWSQXEVSA-N	321.377	1.190	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C[C@@H](C)SC)cc1	757733192	LPLDPSCMHDNQNV-SNVBAGLBSA-N	311.407	1.396	50	20	DDGD	
CCn1cnc(C(=O)NNC(=O)COc2cc(C)ccc2C)c1	854191503	KQCMLJKSWDIFDI-UHFFFAOYSA-N	316.361	1.360	50	20	DDGD	
O=C(NNc1cc(F)cc(Cl)c1)[C@H]1CCc2nncn2C1	855620477	WAWMLASRUYTJQX-QMMMGPOBSA-N	309.732	1.776	50	20	DDGD	
C[C@H]1COC[C@H]1NC(=O)NNC(=O)c1cccc2cccnc12	926001916	VQMCZGJOOLAPGN-GXFFZTMASA-N	314.345	1.214	50	20	DDGD	
CC(C)c1ncc(C=NNC(=O)[C@H](C)CN2CCOCC2)s1	758371136	IZSLVURDLOAGFP-GFCCVEGCSA-N	324.450	1.685	50	20	DDGD	
O=C(CO)NNC(=O)c1ccc(Oc2ccccc2Cl)nc1	753453013	VXMHIGDDKICVAL-UHFFFAOYSA-N	321.720	1.281	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNc1cccc(C(=O)OC)c1C	854153804	UQUODZBCPJOPCQ-KGLIPLIRSA-N	321.377	1.975	50	20	DDGD	
CCNC(=O)NN=C(C)[C@H](c1ccccc1)N1CCOCC1	920825145	NBMSMEAHSMBGHZ-OAHLLOKOSA-N	304.394	1.755	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C=NNC(=O)c1cccnc1	853256352	WCWXJSUDFXXICS-SWLSCSKDSA-N	313.361	1.699	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CN(Cc2ccccc2)C[C@@H]1C	751519842	BILZITHNANTNFQ-ZDUSSCGKSA-N	316.405	1.135	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Cn2cnc3c2CCCC3)c1	758055439	PUYLHKFEOMDVJF-UHFFFAOYSA-N	323.356	1.095	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2c(C3CC3)cnn2C)o1	852578169	VHLRFOSIAALCSG-UHFFFAOYSA-N	317.349	1.343	50	20	DDGD	
CO[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc(C#N)c2)C1(C)C	753425877	QMMCDVNYKYECKS-QWHCGFSZSA-N	316.361	1.316	50	20	DDGD	
CN1C(=O)C(=NNC(=O)OCC(F)(F)F)c2ccccc21	853431547	DUSVXPUTNMRHLQ-UHFFFAOYSA-N	301.224	1.656	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ncoc1C(F)(F)F	854684159	ZFGWXMDXMHIQGS-LURJTMIESA-N	307.228	1.024	50	20	DDGD	
COC(=O)C[C@H]1CCC(=NNC(=O)c2cccc(F)n2)[C@@H]1C	853444915	UFESKNRDMXMNDJ-NXEZZACHSA-N	307.325	1.916	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C[C@H]2CCC(=O)NC2)ccc1C	857264314	VSNKBLYJQCRFRD-LLVKDONJSA-N	319.361	1.141	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C1CCC(OC)CC1	854283726	IIGJBOMPSFKXJL-UHFFFAOYSA-N	317.455	1.066	50	20	DDGD	
CCCCN(C)C[C@@H](C)NC(=O)NNc1ncc(Cl)cn1	856905676	XZSWJJNXJYHXSP-SNVBAGLBSA-N	314.821	1.877	50	20	DDGD	
CNC[C@H](C)NC(=O)NNc1ccccc1OC(F)(F)F	851679222	ANZVIKHJAHBPOG-QMMMGPOBSA-N	306.288	1.819	50	20	DDGD	
CCc1nc(CNC(=O)NC[C@]2(C)C[C@@H]2Br)n[nH]1	856907930	IHPACKOPFLSNDF-CPCISQLKSA-N	316.203	1.340	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cnn(-c2ccccn2)c1	756707830	WQEMYQFTTZBUFX-SNVBAGLBSA-N	302.338	1.466	50	20	DDGD	
CN(C)CCn1nccc1NC(=O)NNc1ncc(Cl)cn1	856871775	CYXXAMXPSOASPA-UHFFFAOYSA-N	324.776	1.037	50	20	DDGD	
CCCCCCOCC(=O)NNC(=S)NCC1CCC1	855091265	JDJCPCIROOGYMC-UHFFFAOYSA-N	301.456	1.879	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1ccc2nncn2c1	755197770	STIRQDZCOFXKRV-UHFFFAOYSA-N	323.238	1.295	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)c1cnn(C2CC2)c1	858138158	QPAAKLVRQBVFRT-UHFFFAOYSA-N	316.386	1.843	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)COc2ccccc2)nc1	759739510	WTZQLCIEMXVFJK-UHFFFAOYSA-N	301.302	1.390	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1	756482038	FZFSIZJPPPLEHF-UHFFFAOYSA-N	306.366	1.696	50	20	DDGD	
COC[C@](C)(O)C(=O)NNC(=O)c1c(Cl)cccc1Cl	754994961	BFZSGVPYFQMBCO-LBPRGKRZSA-N	321.160	1.152	50	20	DDGD	
Cc1nn(C)c(N2CCOCC2)c1C=NNC(=O)C(C)(C)C	755649766	NTVLMDSSMHFUSC-UHFFFAOYSA-N	307.398	1.061	50	20	DDGD	
COC[C@](C)(NC(=O)NNc1cccc(C)n1)C(F)(F)F	932319566	HAFXZADOXKVKAO-NSHDSACASA-N	306.288	1.984	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H]2CSc3ccccc32)n[nH]1	869014131	OIXVBSQDOPXWMG-GFCCVEGCSA-N	316.386	1.298	50	20	DDGD	
CN(CCCN1CCCC1)S(=O)(=O)CC(C)(C)CCl	867224973	HWTMDZMZWXOOSI-UHFFFAOYSA-N	310.891	1.999	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)O)CN1S(=O)(=O)CC(C)(C)CCl	864496994	XBDWPPDNYMIVFT-VHSXEESVSA-N	311.831	1.766	50	20	DDGD	
Cn1c(C(=O)NC[C@@]2(C)C[C@H]2Br)cnc1Cl	864072305	HZBHMVIHHFOUJZ-GMSGAONNSA-N	306.591	1.977	50	20	DDGD	
O=C(CCc1cncs1)NNCC(F)(F)C(F)(F)F	863099848	QCHWQPFIAZZDRM-UHFFFAOYSA-N	303.256	1.894	50	20	DDGD	
CC(C)n1nnc(NC(=O)NNc2ccc(F)c(F)c2F)n1	933461459	JKWDBKFEFSHRLJ-UHFFFAOYSA-N	315.259	1.820	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCc1nccn1C(F)F	866881398	KFAFDCOESZPACH-UHFFFAOYSA-N	315.773	1.963	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccc(F)cc1	862095046	HDDBTLYLYXOFNA-ICCXJUOJSA-N	310.325	1.086	50	20	DDGD	
COc1cccc(NNC(=O)[C@H](O)[C@@H](C)c2ccccc2F)n1	867286763	IAPIZTMCFXSQBZ-ZUZCIYMTSA-N	319.336	1.837	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC2CC2)cc1C1CC1	767723574	PUHXJYNZNWKASE-UHFFFAOYSA-N	303.362	1.927	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)CN1C	761812216	JHDDOQSKQLAQPQ-SNVBAGLBSA-N	324.406	1.292	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H]2CCn3cncc3C2)c1	862478262	FFAJRSAIIJDKAD-SNVBAGLBSA-N	304.375	1.277	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H]1CCO[C@H](C(C)C)C1	935197614	DTHIYQWWMAYALS-MNOVXSKESA-N	319.496	1.296	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccccc1Cl)NC1CCCC1	764910268	OKDDLMOHRJPYNX-GFCCVEGCSA-N	311.769	1.646	50	20	DDGD	
C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2cccc(B(O)O)c2)C1	868314363	SURVTYDTZDCFCY-DYVFJYSZSA-N	309.174	1.590	50	20	DDGD	
C[C@@H](NNC(=O)CNC(=O)CC1CCCCC1)C(F)(F)F	862309657	SKCKGUZKTHIOCA-SECBINFHSA-N	309.332	1.645	50	20	DDGD	
CS[C@H](CO)[C@@H](C)NS(=O)(=O)CC(C)(C)CCl	867018589	UHGVFKYSMDKLDL-RKDXNWHRSA-N	303.877	1.283	50	20	DDGD	
C/C(=C/c1cccc(Cl)c1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1	862457522	LCVWYOWSVMZWBW-UPZNUWHASA-N	321.764	1.169	50	20	DDGD	
CC(C)[C@@H](C=NNC(=O)c1cn[nH]c1)CNC(=O)OC(C)(C)C	863153895	GWJNZCPSHBJQGW-LLVKDONJSA-N	323.397	1.922	50	20	DDGD	
Cc1ccc(NNC(=O)NCCC2CCN(C(C)C)CC2)nn1	868943273	BTMLYQRMTACWSX-UHFFFAOYSA-N	320.441	1.922	50	20	DDGD	
COCc1ccccc1NC(=O)NNc1nccnc1OC	764619349	BPMFTUFEECWQKP-UHFFFAOYSA-N	303.322	1.780	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCCOC[C@H]1CCOC1	866760274	HZNKAWCRBCNQAF-NSHDSACASA-N	313.847	1.224	50	20	DDGD	
COC(=O)CCN(C(C)C)S(=O)(=O)CC(C)(C)CCl	866781122	HPNSRHLYNGAXAC-UHFFFAOYSA-N	313.847	1.855	50	20	DDGD	
C[C@H]1CCC[C@H]1CC(=O)OCC(=O)NNC(=O)c1ccccc1	769181161	OBFVDXXOALZKFM-JSGCOSHPSA-N	318.373	1.817	50	20	DDGD	
C[C@@H]1CN(C)C[C@H](C(=O)NN=CC2([C@H]3CCCCO3)CCC2)O1	872389396	IWNAHQSCLUQXTG-RBSFLKMASA-N	323.437	1.547	50	20	DDGD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NNc1nc2ccccc2[nH]1	768511873	DXQFJTUIFCXBJA-QWRGUYRKSA-N	304.350	1.590	50	20	DDGD	
CC(=O)N1CC(C(=O)NNC(=S)Nc2cc(C)ccc2C)C1	873756120	AZUUTQDRECXFCS-UHFFFAOYSA-N	320.418	1.099	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)Oc2cccc(Cl)c2)no1	772953881	KMXWXGPSHBXHGI-VIFPVBQESA-N	323.736	1.865	50	20	DDGD	
COc1ccc(C(=O)NNc2cc(Cl)nc(N)n2)cc1F	779374723	BAQHOLYBSKVJIE-UHFFFAOYSA-N	311.704	1.617	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)CSCC#N)cc1	874951646	QGPBRLGXAGNLQB-UHFFFAOYSA-N	323.447	1.327	50	20	DDGD	
O=C(NNC(=O)c1ccc(OC(F)F)cn1)c1cccnc1	771847428	WBHHOKMUSXCEER-UHFFFAOYSA-N	308.244	1.153	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1nc2ccccc2[nH]1)C1CCCC1	870213257	WZGUMLANPGMUHJ-CQSZACIVSA-N	315.377	1.701	50	20	DDGD	
O=C(NCCCn1cncn1)NNc1c(F)cccc1Cl	771291639	WFZIRCKBWKUOIM-UHFFFAOYSA-N	312.736	1.787	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNc1cnnc2ccccc12)C(C)C	878848748	BTMQSAGNIQIKPH-AWEZNQCLSA-N	316.361	1.908	50	20	DDGD	
CCNC(=O)CCC(=O)NNC(=S)Nc1ccc(C)cc1C	873758437	QYKYITKDSRMADF-UHFFFAOYSA-N	322.434	1.537	50	20	DDGD	
O=C(NCc1ccc2c(c1)COC2)NNc1ccc(Cl)nn1	770034290	VRDWHSPWLBAFNZ-UHFFFAOYSA-N	319.752	1.987	50	20	DDGD	
Cc1[nH]c(C=O)cc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	773694287	VVKRYELUOYEACS-UHFFFAOYSA-N	316.273	1.119	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)CC(F)(F)F)c(C)nc1C	777128789	PPAKDBOFRMWRBA-UHFFFAOYSA-N	317.267	1.614	50	20	DDGD	
CCOc1cnc(C(=O)NN=c2cc[nH]c3ccccc23)cn1	779377453	OEUMMBLJKYPVSP-UHFFFAOYSA-N	309.329	1.602	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc(C)c1[N+](=O)[O-]	771846697	RTYZOECWIMWBBB-SECBINFHSA-N	323.305	1.006	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)C1CCOCC1	883064318	XWUIWSPZHOQXPN-YPMHNXCESA-N	324.327	1.642	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccc3nccnc3c2)n1	770402526	SWXZVTJTETZUNN-UHFFFAOYSA-N	309.333	1.243	50	20	DDGD	
CN(CC(=O)NNc1ccc(F)c(F)c1)[C@@H]1CCSC1	885112976	KRGSHLCYRYDFIO-SNVBAGLBSA-N	301.362	1.845	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2C[C@@H](OC)C2(C)C)c1	780839670	FREOOLRCTSMLQO-QWHCGFSZSA-N	321.377	1.913	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](C(=O)NNc2ccnc(N(C)C)n2)C1(C)C	781941837	UYWHLXKBRYOXCU-WDEREUQCSA-N	305.382	1.237	50	20	DDGD	
Cn1nccc1[C@H]1C[C@@H](NS(=O)(=O)CCCCl)CCO1	882240233	ZBPCXRXUJOFCKU-CMPLNLGQSA-N	321.830	1.189	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cccc(-n2cccn2)c1	883063986	KHGFYXYDYIHOEP-UHFFFAOYSA-N	314.345	1.060	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2C[C@@H](C(=O)OC)C2)cc1F	1120656444	RESRBQJPPLNKNI-DTORHVGOSA-N	324.308	1.255	50	20	DDGD	
O=C(CCCc1ccc(O)c(F)c1)NNC(=O)c1cccnc1	786689732	WUZPUWDIERQUEX-UHFFFAOYSA-N	317.320	1.710	50	20	DDGD	
C=CCOc1cccnc1C(=O)NNC(=S)NC(C)(C)C	899996674	PTYHAEFEGQIODF-UHFFFAOYSA-N	308.407	1.554	50	20	DDGD	
Cc1ccc(F)cc1C(=O)C(=O)NNc1ncnc2[nH]cnc12	782117569	LNHOUJVAVIQEEO-UHFFFAOYSA-N	314.280	1.126	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CSCc1ccncc1	899992496	ZSTYYJBDDNASIF-UHFFFAOYSA-N	312.464	1.609	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1cccn1Cc1ccccc1C#N	785462291	LWMUTOKQWSWVKJ-UHFFFAOYSA-N	310.357	1.629	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H]2CCN2C(C)(C)C)ccc1F	897922882	ZHPWHOXUAUFDIQ-CYBMUJFWSA-N	323.368	1.928	50	20	DDGD	
C#CCCCC(=O)NNC(=S)N[C@@H](C)Cc1ccccc1	899620696	QNOMRIOQYYBFMP-ZDUSSCGKSA-N	303.431	1.916	50	20	DDGD	
COCc1cc(C=NNC(=O)COc2ccccc2OC)no1	794868627	NTUFSRMLNVKMAH-UHFFFAOYSA-N	319.317	1.359	50	20	DDGD	
CSCCONC(=O)NNC(=O)Cc1c[nH]c2ccccc12	793419900	VXKPQZZXZSNDBM-UHFFFAOYSA-N	322.390	1.335	50	20	DDGD	
O=C(NNc1cnccn1)c1cnn(CCO)c1-c1ccccc1	793850589	HCEDTHFELCOPFX-UHFFFAOYSA-N	324.344	1.089	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=Cc1c(C)cnn1C	794876240	ATMMZXFJDXEEAY-UHFFFAOYSA-N	324.388	1.791	50	20	DDGD	
CC[C@H](C)CC[C@@H](O)CC(=O)NNc1nc(C)cc(OC)n1	793598514	KKYYILAFHYFFFH-CMPLNLGQSA-N	310.398	1.814	50	20	DDGD	
CNC(=O)c1cc2cc(NC(=O)NN=c3cc[nH]cc3)ccc2[nH]1	791916316	GVGAFZDUOYVJHY-UHFFFAOYSA-N	324.344	1.493	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(OC2CC2)cc1OC	790509641	OLNSIYPEXDYGIQ-UHFFFAOYSA-N	321.377	1.981	50	20	DDGD	
C#CCCOc1ccc(C=NNC(=O)N2CCN(C)CC2)cc1	790173677	MCMGGASLIDPQPB-UHFFFAOYSA-N	314.389	1.380	50	20	DDGD	
O=C(CCc1cnc2ccccc2c1)NNC(=O)Cc1cc[nH]n1	792144674	GFEAXVWBLWWQJP-UHFFFAOYSA-N	323.356	1.281	50	20	DDGD	
N#Cc1cccc(-n2ccc(C(=O)NNc3ncccn3)n2)c1	798878137	DWVQUKQMEATVBN-UHFFFAOYSA-N	305.301	1.291	50	20	DDGD	
CC(C)c1ncc(NC(=O)C(=O)NNc2ccc(F)cc2)cn1	796990531	XHNDIMHCBJNXQY-UHFFFAOYSA-N	317.324	1.821	50	20	DDGD	
CC(C)NC(=O)CCNC(=O)NNc1ccc(C(C)(C)C)nn1	1318589429	IWRSSDXDLMTVJF-UHFFFAOYSA-N	322.413	1.315	50	20	DDGD	
CCC(CC)[C@@H](NC(=O)NNC(=O)C(=O)OC)c1ccccc1	1318876154	FISGTQLIBYTSCF-CYBMUJFWSA-N	321.377	1.667	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CCCO1	1319588466	OYCASDKRACMXBN-UHFFFAOYSA-N	304.350	1.134	50	20	DDGD	
O=C(C[C@H]1CCC(=O)N1)NNc1nc2ccccc2[nH]c1=S	1329062730	QAVXHAHGSCFKBA-MRVPVSSYSA-N	317.374	1.404	50	20	DDGD	
CN(C[C@@H](CBr)C1CC1)[C@H]1CCS(=O)(=O)C1	701838769	ROXNPYZDVFIBAQ-MNOVXSKESA-N	310.257	1.526	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccncc1C(F)(F)F	1321859323	XCXFFIPVUVATSB-UHFFFAOYSA-N	301.203	1.786	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCC(=O)NC1CCCC1	41706125	ZBUKWAWTVARCHR-UKTHLTGXSA-N	313.357	1.474	50	20	DDGD	
Cc1ccc2c(c1)S[C@H](C(=O)NNC(=O)c1cccn1C)C2	1322052408	QZKGVMSJYKYOMF-AWEZNQCLSA-N	315.398	1.812	50	20	DDGD	
Nc1cnnc(NNC(=O)NCC2(C3CC3)CCC2)c1Cl	1320082313	HTYCMLOBLQSLHL-UHFFFAOYSA-N	310.789	1.919	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)Cn1cc(C2CC2)nn1	1321266684	VKZOWRGZTJCFSB-UHFFFAOYSA-N	301.354	1.212	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1ccnn1C[C@H]1CCOC1	1321873931	ONAXYCDXRZWASO-GFCCVEGCSA-N	316.365	1.772	50	20	DDGD	
COc1cc(F)cc(NC(=O)NNC(=O)Cc2cccnc2)c1	1320140151	RJXCAYUMXKRSKP-UHFFFAOYSA-N	318.308	1.625	50	20	DDGD	
CC(C)C(Cn1cccn1)=NNC(=O)c1n[nH]c2c1CCCC2	1256728788	IIORFURVUCZZAW-UHFFFAOYSA-N	314.393	1.927	50	20	DDGD	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(F)cc1)c1nnnn1C	1337494655	AMEQRKIHHFNTBZ-MXFUOJGSSA-N	300.297	1.134	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](c1ccccc1)c1cnn(C)c1	1330822345	CNEJEVCKURGFND-CYBMUJFWSA-N	317.349	1.422	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)c1cc(CN2CCCC2)on1	1337302912	BFEYCFQKIGPQCR-UHFFFAOYSA-N	323.303	1.701	50	20	DDGD	
Cc1ncc(C(=O)NNC(=S)NCC2CCC2)c(C2CC2)n1	1261746493	LGTQVXYCOGMJHG-UHFFFAOYSA-N	319.434	1.571	50	20	DDGD	
Cc1ccccc1C(F)(F)C(=O)NNC(=O)Cc1cccnc1	1341376075	HBWPNBXMHOPFKW-UHFFFAOYSA-N	319.311	1.872	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1c[nH]nc1-c1ccsc1	1343143176	MRGSSMZSEGNLDU-UHFFFAOYSA-N	309.420	1.656	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)[C@H]1CN2CCN1C[C@@H]2C	1347883769	IGIQOWMPYZSCIC-SMDDNHRTSA-N	308.813	1.480	50	20	DDGD	
Cc1coc(C)c1C(=O)NNc1nc(O)c2cnn(C)c2n1	1344907256	CAMOPZJGAQAGTD-UHFFFAOYSA-N	302.294	1.036	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)/C=C\c1nccs1	1519727416	WXNOTJUORMPBIU-SREVYHEPSA-N	323.399	1.703	50	20	DDGD	
Cc1cccc(OCC(=O)NNc2ccc(C(=O)O)cn2)c1	1607858269	DTYYAQBZNWQHGK-UHFFFAOYSA-N	301.302	1.610	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)NC[C@@H]2CCSC2)cc1	1602127885	DDUNCLGNIBZXKS-NSHDSACASA-N	309.391	1.693	50	20	DDGD	
N#Cc1ccc(NNC(=O)C2(C(=O)O)CC2)cc1C(F)(F)F	1601107625	AEIYAODFIVOLAI-UHFFFAOYSA-N	313.235	1.885	50	20	DDGD	
O=C(NNc1cccc(F)n1)Nc1nc2n(c1C(=O)O)CCC2	1601561103	OXGAIIFJOBYZRD-UHFFFAOYSA-N	320.284	1.210	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)[C@@H]1CCCc2n[nH]cc21	1608948418	ZBJZAFSCKWXQTB-SECBINFHSA-N	300.318	1.671	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)N[C@H]1CCC(F)(F)C1	1605820814	FWFUPWMGEHJDPJ-ZETCQYMHSA-N	300.265	1.594	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@H](C(=O)O)C2CCCC2)cc1	1605597427	PHEAFBBEFINBOO-CYBMUJFWSA-N	315.329	1.210	50	20	DDGD	
CCc1cnc(O)c(C(=O)NNc2ccccc2C(=O)O)c1	1605784624	LEYLOZRKYQBPSK-UHFFFAOYSA-N	301.302	1.805	50	20	DDGD	
Cc1ccc(NNC(=O)c2cn(CC3CC3)nn2)cc1C(=O)O	1607809550	UOXQKHFSKUXYFC-UHFFFAOYSA-N	315.333	1.452	50	20	DDGD	
Cc1nnc(CCC(=O)NNc2cccc(C(=O)O)c2C)o1	1600794620	RWDLJDQNZDLKFT-UHFFFAOYSA-N	304.306	1.461	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)c1snc(O)c1Cl	1602472857	MEUFOWVMTKMALY-UHFFFAOYSA-N	313.722	1.957	50	20	DDGD	
Cc1cc(C(=O)O)oc1C(=O)NNC(=O)c1ccccc1F	1607603200	VSWJZJZXVXZUEY-UHFFFAOYSA-N	306.249	1.500	50	20	DDGD	
O=C(O)C[C@@H](NS(=O)(=O)c1ccc(CCl)cc1)C1CC1	1601908265	CVFRFTJBUGIJSX-GFCCVEGCSA-N	317.794	1.957	50	20	DDGD	
Cn1cc(C=NNC(=O)c2n[nH]c3c2CCCC3)cc1C(=O)O	1610601421	MSZCLVCKMBHBIE-UHFFFAOYSA-N	315.333	1.089	50	20	DDGD	
COc1ccc(C)cc1C=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549318389	PMFFDAYEXQWFKD-GDBMZVCRSA-N	317.389	1.317	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H](O)C2CCCCC2)c(F)c1	1610835741	RYKUWTWEEKMZRW-ZDUSSCGKSA-N	310.325	1.908	50	20	DDGD	
CC(Cc1ccccc1F)=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549321143	QKFUJMINABOFSQ-GDBMZVCRSA-N	319.380	1.724	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)cc1	1549313332	FETGJTWGWMNPMY-HOCLYGCPSA-N	317.389	1.399	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2c[nH]ccc2=N)c1	1579672496	DQKVFYIWVWZXSR-UHFFFAOYSA-N	315.402	1.742	50	20	DDGD	
NCCCCCC(=O)NNC(=O)c1cc(-c2ccccc2)no1	1580292776	QCQRHWKPVJWERM-UHFFFAOYSA-N	316.361	1.622	50	20	DDGD	
C=C[C@@H](NNC(=O)c1ccc(OCCC(C)C)cc1)C(=O)O	1588701768	ZCBITWIONKGKCO-CQSZACIVSA-N	306.362	1.985	50	20	DDGD	
COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)CC(C)C)C2	1846361204	FKFWWGUKDSKQGX-GFCCVEGCSA-N	316.829	1.490	50	20	DDGD	
O=C(O)CCSCC(=O)NNC(=O)c1cccc(Cl)c1	1595063821	BADHFFXRBHMDSS-UHFFFAOYSA-N	316.766	1.309	50	20	DDGD	
Cc1c(C(=O)O)cc(C=NNC(=O)c2ccc(Cl)nc2)n1C	1599984680	YOWNECLLZNXPAM-UHFFFAOYSA-N	320.736	1.844	50	20	DDGD	
O=C(NNc1ncccc1Cl)c1cscc1-c1nn[nH]n1	1593167315	HDLYPBVFWWRHBL-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
COCC(=O)NN[C@H](C(=O)O)c1cccc(C(F)(F)F)c1	1599142400	BJPXXVVAHKOGFA-JTQLQIEISA-N	306.240	1.098	50	20	DDGD	
CC[C@@H](C)n1nccc1C(=O)NNc1ccc(C(=O)O)cn1	1595029523	YZYGWBFKHFKTSB-SECBINFHSA-N	303.322	1.704	50	20	DDGD	
Cc1cc(C=NNC(=O)c2ccc(N)cc2)ccc1-c1nn[nH]n1	1591958847	PLGAPBKGQHHGKL-UHFFFAOYSA-N	321.344	1.521	50	20	DDGD	
O=C(O)CCc1ccc(C=NNC(=O)NCC(F)(F)F)o1	1776036481	QDRZZWDDICFHKT-UHFFFAOYSA-N	307.228	1.492	50	20	DDGD	
Cc1nsc(C=NNC(=O)c2cccc(Cl)n2)c1C(=O)O	1776092425	LXQXEMFNBSCVPW-UHFFFAOYSA-N	324.749	1.962	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)c1ccc(F)cc1F	15889816	NHPNLFMZIHPVLT-UHFFFAOYSA-N	324.258	1.944	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1ccc(Cl)cc1F	16100104	GAKURXSHQUYHKZ-UHFFFAOYSA-N	308.762	1.835	50	20	DDGD	
O=C(CCCc1ccccn1)NNc1ncccc1[N+](=O)[O-]	153085982	IGCZIHTVZHNFPY-UHFFFAOYSA-N	301.306	1.851	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)CCc2cccc(F)c2)[nH]n1	153369817	IVQKVKZIYUWSNH-JTQLQIEISA-N	318.352	1.887	50	20	DDGD	
CC(C)CC1(C(=O)NNc2ccc(C(N)=O)nn2)CCCC1	154404556	BHLZYNITGCOQRJ-UHFFFAOYSA-N	305.382	1.625	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)[C@]1(C)C[C@@H]1Br	906432718	NTFQZXFTYSMENV-QPUJVOFHSA-N	321.215	1.801	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NCCCCC#N	171450533	NYKLYKIZWFYYSH-LLVKDONJSA-N	322.340	1.617	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)c1ccnc(-n2cncn2)c1	172161599	RTXCHPWMBKNSJQ-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc(Br)cc1Cl	56375995	RLTJKRGVCQKGGS-UHFFFAOYSA-N	306.547	1.676	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1cc(F)ccc1Cl	103059142	KHDOJEFRRGDKFN-UHFFFAOYSA-N	323.777	1.772	50	20	DDGD	
O=C1O[C@H](C(=O)NNc2ccc(Cl)nn2)Cc2ccccc21	118502555	WDQYNJHPIBLUNY-JTQLQIEISA-N	318.720	1.355	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(Oc2cccnc2)cc1	65189176	JODLIWGECXODPT-UHFFFAOYSA-N	300.318	1.838	50	20	DDGD	
CN1C[C@@H](C(=O)NNc2ccc(Cl)cc2Cl)CC1=O	178880917	QYKNWDHRUPWJOS-ZETCQYMHSA-N	302.161	1.915	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccc(Oc2ccccc2)o1	178193973	RJGJVPWKLPYAQE-UHFFFAOYSA-N	303.318	1.395	50	20	DDGD	
Cc1cccc2c1CC[C@@H]2NC(=O)NNC(=O)c1cnn(C)c1	118072375	LOBHGVRZCSXONZ-AWEZNQCLSA-N	313.361	1.360	50	20	DDGD	
Cc1nc2cc(F)cc(C(=O)NNc3cnccn3)c2nc1C	172265014	SNXCMVKWGGLMPE-UHFFFAOYSA-N	312.308	1.933	50	20	DDGD	
Cc1nscc1C(=O)NNc1nc(-c2ccncc2)no1	179683646	WDNAIEONLMWYEX-UHFFFAOYSA-N	302.319	1.653	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)C(=O)c1ccc(Cl)cc1	171510375	JOUSVXXCMBEWQN-UHFFFAOYSA-N	317.732	1.308	50	20	DDGD	
Cc1nc(-c2ccccc2)c(C(=O)NNC(=O)CN(C)C)s1	172159986	XNFGUHOTLXXJTF-UHFFFAOYSA-N	318.402	1.441	50	20	DDGD	
CCOC(=O)NNC(=O)Cc1c(C)nn(-c2ccccc2)c1C	61476051	FOVGVZAFWGHYCV-UHFFFAOYSA-N	316.361	1.809	50	20	DDGD	
C[C@H]1CCC[C@H]1NC(=O)NNC(=O)COCc1ccccc1	125917683	BYGKSCCUKOMQMA-GXTWGEPZSA-N	305.378	1.722	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)c2ccc3ccccc3n2)c(C)n1	183383055	MDFWAVKRTDUHPM-UHFFFAOYSA-N	321.340	1.716	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2CCN(CC3CC3)C2)n1	125991457	VRXTVLYSOWRFCV-CYBMUJFWSA-N	304.398	1.204	50	20	DDGD	
N#CC(C#N)=CNc1ccc(S(=O)(=O)NCC2CC2)cc1	122301759	BOIGULOCPWMILA-UHFFFAOYSA-N	302.359	1.718	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc3ccccc3cc2O)no1	128976550	YACMLSSLACWHFX-UHFFFAOYSA-N	311.297	1.917	50	20	DDGD	
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NNc2ncccn2)C1	79091530	MPHLVMHTVCUETI-ZPMVXHMNSA-N	311.411	1.183	50	20	DDGD	
C[C@H](O)CN1CCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)CC1	189414997	CAXSXUQELUHHGD-UDRREKMYSA-N	316.361	1.458	50	20	DDGD	
O=C(CCN1C(=O)CCC1=O)NNc1cccc2c1CCCC2	120098950	RTTZCOUTFYAYQR-UHFFFAOYSA-N	315.373	1.548	50	20	DDGD	
Cn1ccc(NC(=O)NNC(=O)Cc2cccc3ccccc23)n1	184697632	PFSOWZIIRNXKOX-UHFFFAOYSA-N	323.356	1.969	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)Cn2nc(C)cc2C)c(C)c1	186376922	JSZODSVWFBUSTL-UHFFFAOYSA-N	315.377	1.970	50	20	DDGD	
COc1ccc(F)cc1C(=O)NNC(=O)c1ccc(C#N)cc1	129132267	PNOCBGZHEWEGIG-UHFFFAOYSA-N	313.288	1.781	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)C(=O)Nc1ccc(Cl)nc1	125876883	QPODAMJFGJQETP-UHFFFAOYSA-N	324.768	1.401	50	20	DDGD	
COc1cccc(NNC(=O)c2cccc(-n3ccnn3)c2)n1	180727948	IELWPCSRXLWJBZ-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
Cc1ccc(C(=O)NNc2cccc(S(C)(=O)=O)c2)c(O)c1	181160758	CIQOHXWBWPGCSY-UHFFFAOYSA-N	320.370	1.861	50	20	DDGD	
CO[C@H](C)C(=O)NNC(=O)CSc1ccc(Cl)cc1	77528567	JFJWGBUBZDJZBK-MRVPVSSYSA-N	302.783	1.614	50	20	DDGD	
O=C(NNC(=O)c1cc(Br)ccc1F)NC1CC1	49151131	ZOTCZBALVSVDQJ-UHFFFAOYSA-N	316.130	1.695	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC2CCN(C3CC3)CC2)n1	45410547	ASFHWNLOROPREO-UHFFFAOYSA-N	304.398	1.346	50	20	DDGD	
COC1CCC(CC(=O)NNc2ncnc3[nH]cnc23)CC1	89494975	NYUVKBDDDDISOE-UHFFFAOYSA-N	304.354	1.391	50	20	DDGD	
CCN(CC)c1ccc(C(=O)NNC(=O)NCCCOC)cc1	192926322	DQOYCUXZKOFZNK-UHFFFAOYSA-N	322.409	1.513	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cccc(N(C)C)c1)C1CCC1	130111320	RHSRGBKRRNMFDJ-LLVKDONJSA-N	304.394	1.885	50	20	DDGD	
CC(C)C(CNC(=O)NNC(=O)Cc1cccnc1)C(C)C	194828254	VXTILMVQAPCNLW-UHFFFAOYSA-N	306.410	1.883	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@H](CO)Cc1ccccc1	133165935	JEUJAXCAIPWGIX-HNNXBMFYSA-N	313.357	1.234	50	20	DDGD	
Cc1cc(NNC(=O)c2cccc(-n3ccnn3)c2)nc(C)n1	131914083	VYBKEHLEKUPQCT-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@H](C)NC(=O)c2cccs2)c1	88424291	KBTZEOJRKOBXTQ-JTQLQIEISA-N	304.375	1.713	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCCC(C)(C)CO)s1	86404542	NAXATDQJTMCQDP-UHFFFAOYSA-N	313.423	1.799	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCc3c(O)cccc32)o1	84441739	XHKGODKLIXNPBP-LBPRGKRZSA-N	315.329	1.925	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)COc2ccc(C)cc2)[nH]n1	193325205	DRYCSEQQQPBQCX-UHFFFAOYSA-N	302.334	1.121	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNC(=O)CNc1ccc(C)cc1	92716252	KGWOGLCDKZWAPB-UHFFFAOYSA-N	315.377	1.164	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C1CCSCC1	264818128	MGCPAZFBSCSIGT-UHFFFAOYSA-N	322.430	1.918	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21	264015086	HBWIXSKLVRNXRW-LLVKDONJSA-N	321.352	1.835	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2CCCc3cn[nH]c32)n1	269052023	VTKVJCWAVPEBCK-NSHDSACASA-N	301.354	1.520	50	20	DDGD	
C[C@@H]1Sc2ccc(C(=O)NNC(=O)C3CCC3)cc2NC1=O	264773534	OTRKJGZHBLOYIB-QMMMGPOBSA-N	319.386	1.680	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(C)(C)Oc1ccc(C#N)cc1	268746694	SKRRVJBNOSBUNI-UHFFFAOYSA-N	303.362	1.909	50	20	DDGD	
CNC(=O)c1cc(NC(=O)NNC(=O)C2CCC2)ccc1Cl	272816297	KJGVXWUAHIHMIX-UHFFFAOYSA-N	324.768	1.652	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)CCCOC(C)C	273346101	BJURKIJYYFXBBQ-UHFFFAOYSA-N	323.393	1.460	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)NCC1CC1	270568620	MTGRTDPDVLQHHM-UHFFFAOYSA-N	309.391	1.528	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)N[C@H]1CCO[C@H](C2CC2)C1	368153035	SCXAJWLYQHZGBX-FZMZJTMJSA-N	319.361	1.294	50	20	DDGD	
CCOc1ccc(/C=C/C(=O)NNC(=O)C(C)(C)O)cc1OC	276325965	XLCKIEGOVMDOOA-VQHVLOKHSA-N	322.361	1.025	50	20	DDGD	
CN(C)C(=O)c1cccc(NC(=O)CN2CC=C(C#N)CC2)c1	272688774	TYNKAWRXHJGUIM-UHFFFAOYSA-N	312.373	1.483	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNC(=S)Nc1cc(C)ccc1C	270480205	PXLASKHZIRHOND-JTQLQIEISA-N	324.406	1.366	50	20	DDGD	
C[C@](O)(CC(=O)NNC(=O)NC1CCCC1)c1ccccc1	272894951	ZUCNAROZNDEFFR-INIZCTEOSA-N	305.378	1.557	50	20	DDGD	
CSC1(CNC(=O)NNC(=O)c2ccccc2O)CCC1	280060403	PPKRFVICJALRTI-UHFFFAOYSA-N	309.391	1.622	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)Cn1cc(C(=O)OC)nn1	281667438	CZMWOQLBKAVAQL-UHFFFAOYSA-N	317.349	1.079	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)Cc1ccc(F)cc1	280368010	VFDGVKIEDUMLLX-JQWIXIFHSA-N	306.337	1.521	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)C1(c2ccccc2F)CC1	280869719	BPFVMULCDBCVAU-UHFFFAOYSA-N	319.258	1.750	50	20	DDGD	
CSSCCNC(=O)NCCn1cc([N+](=O)[O-])cn1	285429107	NQQQQYXZENMKAH-UHFFFAOYSA-N	305.385	1.102	50	20	DDGD	
O=C(NCC1=CCCOC1)NNc1ncnc2ccsc12	287895164	GRMGLOVWXDHVME-UHFFFAOYSA-N	305.363	1.664	50	20	DDGD	
CC/C=C(\C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	281334900	UICVYMCJJYMRCO-IZZDOVSWSA-N	303.362	1.746	50	20	DDGD	
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NNc1cccc(OC)n1	281752025	HXTSJDLVQYOPIA-BXUZGUMPSA-N	306.366	1.698	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)n1	280996705	VNJJJVWOHYIARR-RAIGVLPGSA-N	318.377	1.148	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1ccccc1C	285210385	WPGZJKKSCCWRIY-AWEZNQCLSA-N	303.362	1.157	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)c2[nH]ccc2C)o1	280740125	LCXYLCADPXASHB-UHFFFAOYSA-N	318.377	1.833	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2c[nH]c(C(F)(F)F)c2)n1	807954922	IHSDDELZYUOYEJ-UHFFFAOYSA-N	313.283	1.997	50	20	DDGD	
CO[C@@](C)(CNC(=O)NNC(=O)c1ccc(C)s1)C1CC1	292015878	XZTPONGYYGEIID-AWEZNQCLSA-N	311.407	1.816	50	20	DDGD	
CN(NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1ccccc1	299514324	HEYMXFVDLJUYHZ-AWEZNQCLSA-N	301.390	1.803	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1c(F)cccc1Cl	807968442	VVIIYLNGIFYYIV-UHFFFAOYSA-N	311.744	1.942	50	20	DDGD	
O=C(NNC(=O)c1ccc(-n2ccnc2)nc1)Nc1ccccc1	801990838	ALFTYEGEADYUIX-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
CCc1ccc(C#CC(=O)NNC(=O)[C@H]2CCCCO2)cc1	295805511	WFFGVSMNEWFUOZ-OAHLLOKOSA-N	300.358	1.317	50	20	DDGD	
COc1cnc(NC(=O)NNC(=O)Cc2ccccc2F)s1	806512033	RMPIHISPGYMOPR-UHFFFAOYSA-N	324.337	1.686	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)nn1	802015996	GROVZAAYRCBPJV-UHFFFAOYSA-N	321.724	1.605	50	20	DDGD	
Cc1ccccc1OCCCC(=O)NNC(=O)N1CCOCC1	299386632	QANQXJAFMPQIHR-UHFFFAOYSA-N	321.377	1.227	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)C1(c2cccc(F)c2)CC1	802026541	GFVIAABTYSXVQG-UHFFFAOYSA-N	314.320	1.527	50	20	DDGD	
CCC(CC)CC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	801106093	QQUPORYUVFNTKT-UHFFFAOYSA-N	305.378	1.907	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2ccc3c(c2)C(=O)OC3)n1	808877816	GIMHPKVYVMSNRF-UHFFFAOYSA-N	313.317	1.912	50	20	DDGD	
Cc1cccnc1NNC(=O)c1nnn(Cc2ccncc2)c1C	803186243	JNARHVMBJBXPRG-UHFFFAOYSA-N	323.360	1.490	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1ccc(O)cc1F	804955588	RHTZDXABQWMOMV-UHFFFAOYSA-N	314.280	1.264	50	20	DDGD	
Cc1cc(C)cc(CCNC(=O)NNC(=O)[C@H]2CCCCO2)c1	296575565	YEAPNDLJOAOKPT-OAHLLOKOSA-N	319.405	1.745	50	20	DDGD	
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ncccn1	298275252	HQYDJZGZUCZGPZ-JTQLQIEISA-N	309.370	1.469	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)Cc1c[nH]c2ccccc12	800315612	YPIDOYIGLRIPNN-LYOVBCGYSA-N	315.373	1.671	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2ccc(N)nc2)cc1	807947823	KOHXOAWYHLSQTC-UHFFFAOYSA-N	300.318	1.202	50	20	DDGD	
CC[C@H]1CCC[C@@H]1C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	294528045	ZCRSIFRBGATQSX-JSGCOSHPSA-N	317.389	1.907	50	20	DDGD	
COCc1cnc(NC(=O)NNC(=O)c2ccccn2)s1	806598005	GBJUEBIPBVGUSA-UHFFFAOYSA-N	307.335	1.151	50	20	DDGD	
COc1c(F)ccc(F)c1C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	294007012	VOENDJQZGIBTEQ-XVKPBYJWSA-N	314.288	1.302	50	20	DDGD	
C[C@H]1CSC[C@@H]1NC(=O)NNC(=O)c1c[nH]c2ccccc12	805788205	BRIVTBVRZXGEEG-ZANVPECISA-N	318.402	1.863	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ncccc2F)cc1C	807300816	LJUKNLAWMAAOSZ-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H]2CSc3ccccc32)O1	294191918	KJNCPYXIWRYEIU-WCQGTBRESA-N	306.387	1.591	50	20	DDGD	
CC1CCN([C@H](C)CNC(=O)NNc2ncncc2F)CC1	814310035	LLBLEEWSIQBFQV-LLVKDONJSA-N	310.377	1.362	50	20	DDGD	
CC(=NNC(=O)Nc1ccc2c(c1)OCO2)c1cc(CO)on1	814992480	FVKVYYVRADAWMT-UHFFFAOYSA-N	318.289	1.441	50	20	DDGD	
O=C(NN=C1CC(C(=O)O)(c2ccccc2)C1)c1ccncc1	814681734	AADNPBQZUFTJQA-UHFFFAOYSA-N	309.325	1.984	50	20	DDGD	
O=C(COC(=O)[C@@H]1CCCSC1)NNC(=O)c1ccccc1	811410723	BVEAFCRWWXKHIS-GFCCVEGCSA-N	322.386	1.134	50	20	DDGD	
N#Cc1cccc(C(=O)NNc2nnc(-c3ccccn3)s2)n1	811391304	BZASGCGGIUXBPQ-UHFFFAOYSA-N	323.341	1.624	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)Cc2csc(N3CCOCC3)n2)C1	814770220	UZCBXYYCRXOPBE-NSHDSACASA-N	322.434	1.814	50	20	DDGD	
Cc1nn(C)c(C)c1NC(=O)C(=O)NNc1cccc(Cl)n1	815728036	QQAZNSXOIWBPIC-UHFFFAOYSA-N	322.756	1.167	50	20	DDGD	
Cn1cncc1CNC(=O)NN=c1sc2ccccc2n1C	811924634	CMVUSXPHVRYPCN-UHFFFAOYSA-N	316.390	1.288	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccnc(-c2ncc[nH]2)c1	816468514	IOIKZFZFASWCKK-UHFFFAOYSA-N	320.316	1.271	50	20	DDGD	
Cc1cc(C(=O)NNc2ncncc2F)c2c(C)noc2n1	817080302	JHGILBWIDWEJKK-UHFFFAOYSA-N	302.269	1.526	50	20	DDGD	
O=C(O)c1ccc2c(c1)CCCC2=NNC(=O)N1CCOCC1	814820979	IAJHGVCPWNOVHV-UHFFFAOYSA-N	317.345	1.467	50	20	DDGD	
CCCc1[nH]ccc1C(=O)NNC(=O)C(=O)NC(CC)CC	817538865	KAIQNZRLXBUWCJ-UHFFFAOYSA-N	308.382	1.033	50	20	DDGD	
COC(=O)Nc1ccc(NC(=O)NNc2ncncc2F)cc1	814605728	JEKFAQLAKXVSLV-UHFFFAOYSA-N	320.284	1.943	50	20	DDGD	
CCn1ccnc1C=NNC(=O)Nc1ccc2c(c1)OCO2	814994484	ZCUVKZQWYKQPLB-UHFFFAOYSA-N	301.306	1.787	50	20	DDGD	
COCCN(C)NC(=O)c1cccc(OCc2cscn2)c1	816561038	JPNMOZZJISYSBC-UHFFFAOYSA-N	321.402	1.945	50	20	DDGD	
CN(C)c1nc(Cl)c(C=NNC(=O)Cc2cc[nH]n2)s1	814954921	PBVKOYAHYBHLCM-UHFFFAOYSA-N	312.786	1.278	50	20	DDGD	
C=C(C)C(C)(C)C(=O)NNC(=O)CNC(=O)c1cccs1	819213381	LZWOBQQSELBYLW-UHFFFAOYSA-N	309.391	1.228	50	20	DDGD	
Cc1ccsc1CNC(=O)NNC(=O)Cc1cccnc1	728944413	XSGBSGGNVFDWJJ-UHFFFAOYSA-N	304.375	1.525	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNc1cccc([N+](=O)[O-])c1	496994723	HAOYVWHCFZABLT-CABZTGNLSA-N	324.337	1.809	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)/C=C\[C@H]2CCOC2)c1	822200597	RQYZJXRXHJDPAF-BYCRGOAPSA-N	320.345	1.058	50	20	DDGD	
CCOC1(C)CCN(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CC1	827268992	UQGMVQNUEVYGSR-NEPJUHHUSA-N	313.398	1.043	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H](OC(C)C)c2ccccc2)nc1O	824043763	DJPWVLFICMJOHA-LBPRGKRZSA-N	317.349	1.495	50	20	DDGD	
CCOC(=O)N1CCC(C(=O)NNc2cccc(OC)n2)CC1	495204757	CBBNWRILOCQILE-UHFFFAOYSA-N	322.365	1.402	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@H]3CCNC(=O)C3)nc12	828362368	IDPWSTMAXQOLMA-VIFPVBQESA-N	304.375	1.574	50	20	DDGD	
CC(C)(CCC(=O)NNC(=O)CCc1ccccc1)[N+](=O)[O-]	822934447	DXGVDNCGIFXYEO-UHFFFAOYSA-N	307.350	1.602	50	20	DDGD	
CC(=NNC(=O)CCNC(=O)OC(C)(C)C)c1ccnc(F)c1	497293121	MGWXMPPQOPXIBS-UHFFFAOYSA-N	324.356	1.976	50	20	DDGD	
Cc1ccc(F)c(CC(=O)NNc2ccnc(N(C)C)n2)c1	825987288	IXAWABNIRBPKKY-UHFFFAOYSA-N	303.341	1.676	50	20	DDGD	
COCC(C)(C)CCCNC(=O)/C(C#N)=C/c1cnn(C)c1	491006418	DDGFFQHSCXVULA-RIYZIHGNSA-N	304.394	1.896	50	20	DDGD	
CN(C)Cc1ccc(C(=O)NN=C2CCC(C(=O)O)CC2)o1	820543635	LYFKMNCMLCATSH-UHFFFAOYSA-N	307.350	1.702	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc(C)c(OC(C)C)c1	495907509	WYAQLYKDHNZZNP-UHFFFAOYSA-N	323.349	1.498	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)CC2COC2)c1	908053505	OZLAMSDKRHDKKI-UHFFFAOYSA-N	313.741	1.538	50	20	DDGD	
C#CCCCC(=O)NN[C@@H](CCCC)C(=O)Nc1cc(C)on1	901644442	QYQMVKQVHKBSTC-ZDUSSCGKSA-N	320.393	1.905	50	20	DDGD	
CN(C)C(=O)COc1cccc(NC(=O)NN(C)C2CC2)c1	824090950	UOAHBNNKNZQEMI-UHFFFAOYSA-N	306.366	1.284	50	20	DDGD	
Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2ccc(B(O)O)cc2)C1	584950161	PXZIPFNTUZPKHX-GDBMZVCRSA-N	323.201	1.693	50	20	DDGD	
CC1(C)[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1ccccc1	584997727	IMOXZKMRKPXGKF-IRXDYDNUSA-N	323.201	1.536	50	20	DDGD	
CC(C)C[C@@H]1CCCCCN1C(=O)c1cccc(B(O)O)c1	584951009	PBPGLJQBXKKSDD-INIZCTEOSA-N	303.211	1.797	50	20	DDGD	
CC(=NNC(=O)c1ncon1)c1cccc(N2CCOCC2)c1	901286040	PQNABQQZWHUVRD-UHFFFAOYSA-N	315.333	1.060	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NNc1cccnn1	495303092	ZFMBYFLRSKVYMK-WDEREUQCSA-N	321.381	1.613	50	20	DDGD	
CN(CCCNCc1cccc(B(O)O)c1)c1ccccc1F	585018746	RAXVMWKEOATMNE-UHFFFAOYSA-N	316.185	1.122	50	20	DDGD	
C#CCCCC(=O)NN[C@@H](C(=O)OC)c1cccc(Cl)c1	901643165	HLKXRMGBSYPJOJ-CQSZACIVSA-N	308.765	1.978	50	20	DDGD	
Cc1cccc(C[C@H](NC(=O)c2ccc(B(O)O)cc2)C2CC2)c1	584951947	PYTLYSYKLCODMJ-SFHVURJKSA-N	323.201	1.426	50	20	DDGD	
COCCCOc1cccc(C=NNC(=O)c2cnn(C)c2)c1	735410960	FJAVMPNTUMRTHF-UHFFFAOYSA-N	316.361	1.599	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC(=NNC(=O)C(C)(C)O)C1(C)C	834973747	ZGYKZJWLDGDKBE-UHFFFAOYSA-N	313.398	1.649	50	20	DDGD	
CC[C@H](C)CONC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836469151	ZWGGUPFPTSUJAA-VIFPVBQESA-N	324.337	1.729	50	20	DDGD	
CN(Cc1nnc2n1CCC2)C(=O)[C@]1(C)C[C@@H]1Br	905848851	AOLUABAHXJSVOC-QPUJVOFHSA-N	313.199	1.356	50	20	DDGD	
CO[C@@H](C1CC1)[C@H](C)NC(=O)NNC(=O)c1ccccc1C	836192844	QBQYOEWUWWKBSS-SMDDNHRTSA-N	305.378	1.753	50	20	DDGD	
CCCN(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NNC(=O)CC	732199228	GKYNEFWDBZTYFL-ZDUSSCGKSA-N	321.421	1.853	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCC(=O)NCC#N)cc1	731239692	QXOYDDKSQDKZPM-UKTHLTGXSA-N	313.313	1.175	50	20	DDGD	
Cc1noc(C2CC2)c1NC(=O)NNC(=O)[C@H]1CCCCO1	836508153	IFMZXDCVMNGXEW-SNVBAGLBSA-N	308.338	1.582	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NC[C@]2(C)CCC(=O)N2)c(C)c1	838735789	WHDSRGBZJQQLBP-INIZCTEOSA-N	304.394	1.907	50	20	DDGD	
CCO[C@@H]1CCC[C@H]1NC(=O)NNc1nc(C)cc(OC)n1	836665502	IITCGNAYRGHPAI-GHMZBOCLSA-N	309.370	1.377	50	20	DDGD	
CC(C)(O)C(C)(C)CNC(=O)NNc1nc2ccccn2n1	838721612	YFCKUTOHNSPCHT-UHFFFAOYSA-N	306.370	1.153	50	20	DDGD	
CC[C@H](O)[C@@H]1CCCCN1[C@H](C)C(=O)NNC(=O)CC(C)C	733997273	NRUXEMHHOKRTKK-RDBSUJKOSA-N	313.442	1.194	50	20	DDGD	
CC(C)(C)Oc1ccncc1NC(=O)c1ccc(B(O)O)cc1	584966245	YHVOKZNCDYWLTM-UHFFFAOYSA-N	314.150	1.191	50	20	DDGD	
C[C@@]1(C(=O)N2CCCC3(C2)OCCO3)C[C@@H]1Br	907077047	DZITYRUDDCMKSK-GXSJLCMTSA-N	304.184	1.525	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNc1ccc(OC(F)F)cc1	839709296	PBXNRZHVYOWGGJ-NSHDSACASA-N	315.320	1.879	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1c(C2CC2)cnn1C	834580649	NSNFADCDNISRCX-UHFFFAOYSA-N	300.366	1.968	50	20	DDGD	
O=C(CCOc1cccc(F)c1)NNC(=O)[C@@H]1CCCCO1	833778506	FNTNKXPCWDWERV-ZDUSSCGKSA-N	310.325	1.311	50	20	DDGD	
N#Cc1cccc(NNC(=O)NC2CCC(C(=O)O)CC2)c1	739133155	FBTPHSXMCKBUKE-UHFFFAOYSA-N	302.334	1.828	50	20	DDGD	
CO[C@@H]1CCCCC1=NNC(=O)c1ccc(-n2cnnn2)cc1	915952119	TUIXQZANDCXSQN-CQSZACIVSA-N	314.349	1.337	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(OC[C@H]2CCCO2)cc1	910180527	LIURFIRJGOGKLT-IUODEOHRSA-N	308.378	1.202	50	20	DDGD	
C[C@@H](C(=O)NNc1nc2ccccc2c(=O)n1C)c1ccco1	741692530	UUXVNTQDPOGCTO-SNVBAGLBSA-N	312.329	1.773	50	20	DDGD	
N#CC1=CCN(C(=O)[C@@H]2CSC(c3ccccc3O)=N2)CC1	831489178	ZRTFLVLRGATUCU-ZDUSSCGKSA-N	313.382	1.936	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)c1cnn2c1OCCC2	846640921	VPVKJLMCYGTPRC-UHFFFAOYSA-N	306.297	1.570	50	20	DDGD	
CO[C@@]1(C=NNC(=O)COc2ccc(Cl)cc2)CCOC1	841607583	XXSVHFJIMMGIIG-CQSZACIVSA-N	312.753	1.626	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NN=Cc1cnc2cnccn12	746369215	ULIPDTGKHJVBJX-UHFFFAOYSA-N	318.340	1.903	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1	910177013	HEZJFPDNLWBBAH-QWRGUYRKSA-N	322.434	1.701	50	20	DDGD	
C[C@H]1CC[C@H](C)N1CC(=O)NNc1nc(-c2ccncc2)no1	746201991	SEKDGQBPWKAQDK-QWRGUYRKSA-N	316.365	1.448	50	20	DDGD	
Cc1oc(-c2ccccc2)nc1CC(=O)NN(C)C[C@H](C)O	910175376	NNEMOUDGPNIPER-NSHDSACASA-N	303.362	1.536	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ncccc1Oc1ccccc1	910149373	DFODRJRUMWHEDZ-GFCCVEGCSA-N	301.346	1.831	50	20	DDGD	
C[C@H]1Cc2cc(S(=O)(=O)NCCCSC#N)ccc2O1	916971800	ILQMKINYQSWJRP-JTQLQIEISA-N	312.416	1.893	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@@H]1CS[C@H](C)C1	840417102	OJCGAMFTCUQACN-PWSUYJOCSA-N	323.418	1.462	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1C[C@@H](OCC(C)C)C1(C)C	748260037	OTUZPAVHGRVVHR-GXTWGEPZSA-N	314.426	1.981	50	20	DDGD	
Cc1cc(C(=O)NN(C)C[C@H](C)O)c(C)n1Cc1ccccn1	910170707	NANLEOABYASBMQ-ZDUSSCGKSA-N	316.405	1.506	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cncn1-c1ccccc1	747598560	ACQVEEPYAQCRRU-UHFFFAOYSA-N	309.329	1.286	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C(C)(C)CNC(C)=O)c1ccccc1	844387433	RSFQKZWZBPODCY-AWEZNQCLSA-N	319.405	1.490	50	20	DDGD	
CC(C)O[C@H]1CCCN(C(=O)/C(C#N)=C/c2cnn(C)c2)C1	846364015	UCCODQFRNBCXLK-LULHVWEPSA-N	302.378	1.743	50	20	DDGD	
N[C@@H]1CCC[C@H](NC(=O)NNC(=O)c2c[nH]c3ccccc23)C1	841981809	JVKLTNHWOAXLRZ-MNOVXSKESA-N	315.377	1.382	50	20	DDGD	
Cc1ccc2c(CC(=O)NNC(=O)[C@H]3CCO[C@@H]3C)coc2c1	843647098	MXXMOLINCFYKAG-YPMHNXCESA-N	316.357	1.856	50	20	DDGD	
Cc1nn(CC(C)C)c(C)c1CCC(=O)NN(C)C[C@H](C)O	910179785	OLLTUASTLPJRJK-LBPRGKRZSA-N	310.442	1.432	50	20	DDGD	
CC(=O)C1(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)CC1	843871967	UOFRUUFOPWQGTP-UHFFFAOYSA-N	304.350	1.592	50	20	DDGD	
CC1(C)CC(=NNC(=O)C(=O)NC2CC2)c2ccc(F)cc2O1	748780075	DLEFUWDECQTAGQ-UHFFFAOYSA-N	319.336	1.486	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1ccc(Cl)s1	843655251	MAAQQKJDHDOKIN-CBAPKCEASA-N	302.783	1.516	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCC(C)CC1)c1ncccn1	841613803	ARDLOKYCPMEOLH-CYBMUJFWSA-N	303.410	1.685	50	20	DDGD	
CC1(C)C[C@@H]1NC(=O)NNC(=O)c1cc(Br)c[nH]1	840410716	OUUXXDCONBTNIH-QMMMGPOBSA-N	315.171	1.520	50	20	DDGD	
CSCC1(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1	844271483	OVWVOPCGMFBZED-UHFFFAOYSA-N	323.374	1.889	50	20	DDGD	
O=C(Cc1cccc([N+](=O)[O-])c1)NNC(=O)c1ccccc1F	741880098	BNLCPUNRUHYPNR-UHFFFAOYSA-N	317.276	1.738	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1ccc(C(=O)NC2CC2)cc1	842553210	FRKGGKUODPHQJY-XHDPSFHLSA-N	315.373	1.454	50	20	DDGD	
CC(C)Cc1ccc(S(=O)(=O)NNC(=O)c2cc[nH]n2)cc1	849310645	IKUTYGWWJLVMBO-UHFFFAOYSA-N	322.390	1.232	50	20	DDGD	
COc1cc(Cl)c(NC(=O)NNC(=O)CCCN)cc1C	841243787	IZWODTWLOFDXBD-UHFFFAOYSA-N	314.773	1.549	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)N2CCN(C)CC2)c(C)c1	841636322	BEJIPNXKWGPNKX-UHFFFAOYSA-N	304.394	1.685	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCS[C@H]2CCCC[C@H]21	752358302	AYLKKDQGWXMOCJ-NEPJUHHUSA-N	313.467	1.540	50	20	DDGD	
CCOC(=O)C[C@@H]1CCCCC1=NNC(=O)c1cnn(C)c1	754942542	AWWXRYZCXCJQDD-NSHDSACASA-N	306.366	1.649	50	20	DDGD	
O=C(NN=Cc1c(F)cccc1N1CCCC1)c1cc[nH]n1	853392058	CHRXUOWYYKXGQD-UHFFFAOYSA-N	301.325	1.913	50	20	DDGD	
CC(CC1CCOCC1)=NNC(=O)C(=O)Nc1ccccn1	758390230	OBWTYSMHTDELIJ-UHFFFAOYSA-N	304.350	1.329	50	20	DDGD	
O=CN1CCC[C@@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	854677757	OFISDULQPYBQPC-SECBINFHSA-N	302.256	1.164	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(Cl)cn1)c1nnc2n1CCC2	852078073	KGZUPJRAWBVOBB-MRVPVSSYSA-N	321.772	1.660	50	20	DDGD	
CCOC(=O)CCCNC(=O)NC[C@@]1(C)C[C@@H]1Br	856822146	YFQVIUNABQJCPD-JOYOIKCWSA-N	321.215	1.802	50	20	DDGD	
CN(Cc1cnccn1)C(=O)NC[C@@]1(C)C[C@H]1Br	856952430	CDESGYIFOUCLBU-ZYHUDNBSSA-N	313.199	1.792	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc2c(c1)nc(O)n2C1CC1	854164979	CPLSQDVQHUNKCM-UHFFFAOYSA-N	304.306	1.468	50	20	DDGD	
CNC[C@@H](C)NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	851680606	IWHINAOXIIPRGZ-LLVKDONJSA-N	306.410	1.536	50	20	DDGD	
CCC[C@@H]1C[C@H]1NC(=O)NNC(=O)c1c(C)nc2ccccn12	752017635	AWDJPNRCPCNLIN-VXGBXAGGSA-N	315.377	1.775	50	20	DDGD	
CC[C@@H](C)C=NNC(=O)Cc1csc(N2CCOCC2)n1	755598197	GMAXXXZQIFAUGI-LLVKDONJSA-N	310.423	1.670	50	20	DDGD	
CN(Cc1nncn1C)C(=O)NC[C@]1(C)C[C@H]1Br	856959469	VBOBDISVRPMMEM-KCJUWKMLSA-N	316.203	1.130	50	20	DDGD	
Cc1noc(C)c1C[C@H](C)NC(=O)NNc1ncc(Cl)cn1	856867276	OYMUXPNGWCSPQI-ZETCQYMHSA-N	324.772	1.992	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cccc(-c2nc(=O)o[nH]2)c1	854163642	BVPCECQUHWAEAG-UHFFFAOYSA-N	320.305	1.199	50	20	DDGD	
O=C(CCCC[C@H]1CCSS1)NNC(=O)c1cc[nH]n1	855362285	PZZGLPZLFAYMBU-VIFPVBQESA-N	314.436	1.885	50	20	DDGD	
CCn1cc(CC(=O)NC[C@@]2(C)C[C@@H]2Br)cn1	857391397	PLJSHQUGHXJDNZ-CMPLNLGQSA-N	300.200	1.735	50	20	DDGD	
O=C(NNC(=O)c1cc(F)ccc1[N+](=O)[O-])NC1CCCC1	751385389	XOPWHUPQDUVAQE-UHFFFAOYSA-N	310.285	1.621	50	20	DDGD	
CC(C)O[C@H](C(=O)NNC(=O)c1cn[nH]c1)c1ccccc1	862469171	AKYVQQQFPMHPBS-ZDUSSCGKSA-N	302.334	1.337	50	20	DDGD	
CC[C@@]1(C(=O)N(C)NC(=O)OCc2ccccc2)CCNC1=O	869375949	MRVNHDIYMDIUHB-MRXNPFEDSA-N	319.361	1.203	50	20	DDGD	
C[C@H](NNC(=O)c1cccc(C(=O)N(C)C)c1)C(F)(F)F	862312976	VWTUHIDNRYSMFE-QMMMGPOBSA-N	303.284	1.574	50	20	DDGD	
CCCCC[C@@](C)(CC)C(=O)NNC(=O)CS(C)(=O)=O	863465111	TWWLYLAATHEDKN-CYBMUJFWSA-N	306.428	1.175	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CC(F)(F)F)c1cccc([N+](=O)[O-])c1	762841862	ATMVMYYOTFERPB-SSDOTTSWSA-N	319.239	1.798	50	20	DDGD	
COc1nccnc1NNC(=O)COc1cc(C)ccc1Cl	764486018	ZKYVGLHFLUZROQ-UHFFFAOYSA-N	322.752	1.969	50	20	DDGD	
COCCN(C)NC(=O)c1cnc(Br)c(C)c1	935910383	HCWPPCJHRRKBLB-UHFFFAOYSA-N	302.172	1.376	50	20	DDGD	
C[C@H]1CC(=NNC(=O)[C@@H]2CCC(=O)N2)c2c(O)ccc(F)c21	863145109	JQJVONFHHNTILU-CBAPKCEASA-N	305.309	1.137	50	20	DDGD	
COC(=O)[C@H](NC(=O)[C@H](Br)C(C)(C)C)C1CC1	768208478	OIGUCRGFZDLQEJ-BDAKNGLRSA-N	306.200	1.864	50	20	DDGD	
Cc1cc(=NNC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc[nH]1	862513661	TXQNBQGTLAZAKH-UHFFFAOYSA-N	304.310	1.324	50	20	DDGD	
COC(=O)Nc1ccc(C(=O)NNC(=O)C2CCC2)c(C)c1	932517068	RSWYDLGLBGALQE-UHFFFAOYSA-N	305.334	1.734	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(F)c1Cl)N1C(=O)CCC1=O	862505985	HUSZYKQGXXQIPV-SSDOTTSWSA-N	313.716	1.460	50	20	DDGD	
CC[C@@H]1C[C@H](C)CCC1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	769570708	QLEAFONOQJQAFH-IJLUTSLNSA-N	315.439	1.675	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](c1ccccc1)n1cccn1	764483771	GUSHUAQWPLIKHR-ZDUSSCGKSA-N	324.344	1.414	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)Cc2ccco2)cc1F	765436778	IMPKFKGCPGFUAT-UHFFFAOYSA-N	323.349	1.988	50	20	DDGD	
CCCOc1ccccc1NC(=O)C(=O)NNC(=O)C(C)C	763832288	NRQMAZUNXMTZJR-UHFFFAOYSA-N	307.350	1.217	50	20	DDGD	
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC(Cl)Cl	867471747	RKCXHGPUCBEYDF-UHFFFAOYSA-N	313.162	1.985	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCC(=O)[C@@H]1CCCOC1	769117638	YAYLRBMSYNCWFI-HRYODUOUSA-N	315.325	1.838	50	20	DDGD	
CCCCCCO[C@@H](C)C(=O)NNC(=O)Cc1cc(C)[nH]n1	869017776	RZGKGDURNUTPFW-LBPRGKRZSA-N	310.398	1.393	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2ccncc2F)cn1	768785937	QQLINWNOLGFSAV-UHFFFAOYSA-N	321.337	1.256	50	20	DDGD	
CCNC(=O)N(C)N=Cc1cc2c(C)nn(C)c2nc1Cl	769592440	PJLVRQKZROWTHI-UHFFFAOYSA-N	308.773	1.925	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNc1cc(C#N)cc(Cl)n1	769057381	UOTSLEBHMKGKFB-MRVPVSSYSA-N	300.771	1.164	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(OCc2ccccc2)nc1	765145028	ANNLVSFVIWEXHY-UHFFFAOYSA-N	300.318	1.833	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNC(=O)Cc1ccc(F)cc1)C(C)C	873808918	UTYQZXKJUHDVPO-AWEZNQCLSA-N	324.352	1.351	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccccc1N1CCCC1=O	878091785	JGRQGIDIUPLCNV-UHFFFAOYSA-N	306.366	1.428	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CSC(F)F	771952029	ULXUAFVIURBEIG-SSDOTTSWSA-N	312.338	1.067	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)[C@H](C)C2)cc1	1116413647	DQDXPGNJIILVJS-PWSUYJOCSA-N	304.346	1.462	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)Cn2ccnc2C)c(C)c1	873760788	KDMXTNFBTAMFAH-UHFFFAOYSA-N	317.418	1.826	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)c2cccc(C#N)c2)c(C)o1	776281039	RBFNNASOXXZIIS-UHFFFAOYSA-N	319.342	1.391	50	20	DDGD	
CSc1ccc(C)c(NC(=O)NNC(=O)C2CCNCC2)c1	1117956122	NCZYEAPCECHEPO-UHFFFAOYSA-N	322.434	1.869	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccnc1Br	878974940	TTXSZNLHTAPLNM-UHFFFAOYSA-N	303.160	1.459	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cnc(C2CC2)s1	770247717	RAWOPKQYVVHSOG-UHFFFAOYSA-N	316.477	1.492	50	20	DDGD	
COc1cccc(NNC(=O)NCc2cccnc2OC)n1	779970887	RGCJDFFTCGLIHR-UHFFFAOYSA-N	303.322	1.320	50	20	DDGD	
Cc1ncsc1/C=C\C(=O)NNc1nncc(N)c1Cl	1119781895	VJRBCKJNAYEUQI-IHWYPQMZSA-N	310.770	1.634	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H]2CCC=CO2)nc1C	778424399	PUOVJUBCDFWQGN-NSHDSACASA-N	306.322	1.098	50	20	DDGD	
COC[C@@](C)(O)C(=O)NNc1nc2ccc(OC)cc2cc1C	778481597	VXROXEPVWCVXEI-MRXNPFEDSA-N	319.361	1.392	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)CCCCO)cc1OC	771503370	XJPRBLXDCJBQQE-UHFFFAOYSA-N	310.350	1.018	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1ccc(O)c(C(=O)O)c1	777432240	LEROCNFOYQQGBM-UHFFFAOYSA-N	320.330	1.201	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@H]1COC2(CCCCC2)O1	775766565	ZULXLGXVGBACQE-LBPRGKRZSA-N	313.398	1.439	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NNc1ncc(Cl)cn1	880802892	VNBSFDCXIQCTMK-HQJQHLMTSA-N	306.757	1.662	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](CC)c1ccccc1	771870753	PRNOZJGRHQMCPG-AAEUAGOBSA-N	306.362	1.669	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCOC3(CCCCC3)C2)CC1	884453232	JIPXFPRFDWWFMU-UHFFFAOYSA-N	308.426	1.813	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1CCO[C@H](c2ccccc2)O1	887149054	HYFFPLWKKQIBRO-PBHICJAKSA-N	316.357	1.442	50	20	DDGD	
CCN(C(=O)/C(C#N)=C\c1cnn(C)c1)C(C)(C)C(=O)OC	886429594	KUXYOBZSMVAKQW-GHXNOFRVSA-N	304.350	1.127	50	20	DDGD	
COC(=O)C[C@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(C)(C)C	889170502	XLICNWIEQRZSCA-UWUHSAQLSA-N	318.377	1.421	50	20	DDGD	
CC[C@@H]1CCCCC1=NNC(=O)N[C@H]1CCS(=O)(=O)C1	779770979	NNDFPYLLKYDAJV-MNOVXSKESA-N	301.412	1.429	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc2cc(F)ccc2o1	772138727	XOYYYMAVIHNITE-MRVPVSSYSA-N	322.292	1.675	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@H]1CCc2ccc(F)cc21	883345933	NKMSDUHBVDJZJW-AWEZNQCLSA-N	321.352	1.570	50	20	DDGD	
COCc1ccccc1NC(=O)C(=O)NNc1ccccn1	784797620	ZBLBTCNIVBQBQA-UHFFFAOYSA-N	300.318	1.310	50	20	DDGD	
CC(C)(C)c1nnc2n1CCN(S(=O)(=O)CCCCl)C2	882421011	UZKZTMPTAWGGIN-UHFFFAOYSA-N	320.846	1.350	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)C1(S(C)(=O)=O)CC1	885126678	DAMNXNMMWCCMLW-UHFFFAOYSA-N	302.783	1.669	50	20	DDGD	
Cc1cnccc1C(=O)OCC(=O)NNC(=O)c1ccccc1	786031711	HLAZIAVYYMIUAF-UHFFFAOYSA-N	313.313	1.008	50	20	DDGD	
Cn1cc(-c2n[nH]cc2C(=O)NNc2ccc(Cl)nc2)cn1	781944898	BGSVZXGWHDPFQY-UHFFFAOYSA-N	317.740	1.616	50	20	DDGD	
C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)NNC(=O)C3CC3)c2N1	1123573926	UAMHITCVTZNMJB-HZGVNTEJSA-N	313.308	1.064	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1cnn(C(C)C)c1	787812733	VEUYEFAHHOGEKO-LLVKDONJSA-N	324.381	1.203	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@H](CO)Cc1ccccc1	881915213	YDKBMBJUFATIFR-CYBMUJFWSA-N	305.827	1.386	50	20	DDGD	
CCNC(=O)CC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	780892956	NHPOZPYEKZPAAQ-UHFFFAOYSA-N	300.702	1.218	50	20	DDGD	
Cc1nn(C)c(C)c1NC(=O)COC(=O)/C(C#N)=C\C1CC1	786675056	ZKHBJHNMYWQWGA-SDQBBNPISA-N	302.334	1.379	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21	780326682	AWEQEJAOBZADTD-RAIGVLPGSA-N	324.764	1.535	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccnc(-n2ccnc2)c1	899992115	NOTFCHKWWNXYQR-UHFFFAOYSA-N	318.406	1.175	50	20	DDGD	
CSC1(C(=O)NNC(=O)COc2ccc(C)cc2)CCC1	786656618	XYVAKKMWMMCGBQ-UHFFFAOYSA-N	308.403	1.807	50	20	DDGD	
CCn1cc(CC(=O)NNC(=S)Nc2cccc(C)c2)cn1	781023372	WLRAHYCRKMMOLZ-UHFFFAOYSA-N	317.418	1.772	50	20	DDGD	
O=C(NNc1ncncc1Cl)Nc1ccc(C2CC2)nn1	782055573	MSFQMDOXIIWAPB-UHFFFAOYSA-N	305.729	1.946	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)C(C)C)c(C)c1F	782910814	PNBYMEBWLMCUCE-UHFFFAOYSA-N	304.343	1.108	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccc(Cl)nc2)cn1	784870568	YSRODEAZCXVSQV-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1scc(C)c1Cl	790514309	PEAJWYOHDIUDMT-UHFFFAOYSA-N	305.787	1.690	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)CCc1ccccc1O	795084178	CFASCZPPVACYMC-IAQYHMDHSA-N	308.378	1.533	50	20	DDGD	
Cc1c[nH]nc1C(=O)NNC(=O)Cc1cccc2ccccc12	799408236	PXQTYQGSSBDBDB-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccoc1)c1cccc(Cl)c1	795280866	UUAHUJAOSRCWKF-UHFFFAOYSA-N	300.723	1.556	50	20	DDGD	
C[C@@H]1CC[C@H](CNC(=O)NNC(=O)COc2ccccc2F)C1	792776999	MKYUWRZLUUBSBT-NEPJUHHUSA-N	323.368	1.971	50	20	DDGD	
CSSCCNC(=O)N1CCN(c2ccccn2)CC1	790877407	CTYHNEUXRCYKLT-UHFFFAOYSA-N	312.464	1.924	50	20	DDGD	
COC(=O)C1(CNC(=O)NNc2ncccc2C)CCCC1	791025960	KZBDCAWEMHXZBY-UHFFFAOYSA-N	306.366	1.750	50	20	DDGD	
Cc1cccc(C(=O)NNS(=O)(=O)c2cccc(C)c2F)n1	794599488	GODRFJZDZUYJOQ-UHFFFAOYSA-N	323.349	1.461	50	20	DDGD	
CCNC(=O)NNC(=O)c1c(-c2ccccc2)noc1CC	793207017	LTMWGDPVPXPSEH-UHFFFAOYSA-N	302.334	1.868	50	20	DDGD	
O=C(NNc1nccnc1Cl)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42	795104938	ZHRFGFFUCDBBQU-YXOMFIOFSA-N	316.792	1.967	50	20	DDGD	
C=C(CBr)COC(=O)CC[C@]1(C)CCC(=O)N1	795581159	YQJCYHHCUVURDJ-LBPRGKRZSA-N	304.184	1.930	50	20	DDGD	
CC(C)C(=O)NNC(=O)CCOCC(F)(F)C(F)(F)F	790119234	IMOGKYYNEJIKQI-UHFFFAOYSA-N	306.231	1.394	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)COC(F)F)n[nH]2)cc1	795255968	IVJNFFLBXVZLGS-UHFFFAOYSA-N	324.287	1.385	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC[C@H]2CCC[C@@H]2C)n1	798511810	SLZJTHISIUCKRR-GXFFZTMASA-N	307.398	1.267	50	20	DDGD	
Cc1nn(C)c(-n2ccnc2C)c1C(=O)N1CC=C(C#N)CC1	793755260	NCTNXHGUPXQDLQ-UHFFFAOYSA-N	310.361	1.519	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2c(C)noc2Cl)cc1	1318194770	DHHAEULYQBCOJX-UHFFFAOYSA-N	323.736	1.649	50	20	DDGD	
Nc1cnnc(NNC(=O)Cc2ccc(F)cc2F)c1Cl	1319308363	JDCMJBIXHUSWMF-UHFFFAOYSA-N	313.695	1.676	50	20	DDGD	
O=C(CSc1ccccc1[N+](=O)[O-])NNC(=O)NC1CC1	1326596357	VOCVCBFHHYNPIC-UHFFFAOYSA-N	310.335	1.180	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccn1C)c1ccc(F)c(F)c1	1320196952	BZAAIURNUPFLHG-SECBINFHSA-N	307.300	1.868	50	20	DDGD	
CN(C)c1ncccc1C=NNC(=O)c1ccc(O)c(O)c1	1323617658	IOQOIBVYFMQAKI-UHFFFAOYSA-N	300.318	1.323	50	20	DDGD	
CNC(=O)CCCC(=O)NNc1cncc(Br)c1	1255370504	DDQOHHNCUANJPJ-UHFFFAOYSA-N	315.171	1.204	50	20	DDGD	
Cc1nc(N2CCCCC2)sc1CN1CC[C@@H](B(O)O)C1	1348489952	IJKACBSVCQZMKK-GFCCVEGCSA-N	309.244	1.491	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(C)c1	1345732468	IMEVSJUSIOAQIY-FZMZJTMJSA-N	321.377	1.259	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)NC/C=C\C2CC2)c1	1261296121	RGEGWLPURVOCNH-ARJAWSKDSA-N	319.361	1.614	50	20	DDGD	
O=C(NCCO[C@H]1CCOC1)NNc1cc(Cl)ccn1	1358052165	MVFGTLTXMDNPRI-JTQLQIEISA-N	300.746	1.167	50	20	DDGD	
CC(C)C[C@H](C)NC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1351174561	KYARECBVPIEAMK-KWBADKCTSA-N	319.243	1.827	50	20	DDGD	
CC(=O)N[C@H](C)C(=O)NNc1ccc(F)cc1Br	153740754	FEQDHKJKKJKIAP-ZCFIWIBFSA-N	318.146	1.556	50	20	DDGD	
COc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)O)c2C)cc1	1607197516	JAHNZKXJOJBVDF-UHFFFAOYSA-N	315.329	1.637	50	20	DDGD	
Cc1cc(NNC(=O)c2c(C)coc2CC(=O)O)nc(C)n1	1600281982	VKHHQGJUVZLEJU-UHFFFAOYSA-N	304.306	1.379	50	20	DDGD	
CC[C@](COC)(NC(=O)/C(C#N)=C/c1ccc(O)cc1)C(=O)O	1605050745	WKKUFEQMOJPRIG-OQRGYWNNSA-N	318.329	1.295	50	20	DDGD	
O=C(O)C[C@@H]1CC[C@H](NC(=O)NNC(=O)c2ccccc2)C1	1602111963	JRCILKSGRHDRJR-PWSUYJOCSA-N	305.334	1.274	50	20	DDGD	
CC1(/C=C\C(=O)NNc2ccc(C(=O)O)cn2)CCOCC1	1609822171	QWYSQHAMWUBBJY-PLNGDYQASA-N	305.334	1.596	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)OCc2ccc(C(=O)O)cc2)cn1	1605491395	YVIRFEWTOGINCM-MKMNVTDBSA-N	311.297	1.769	50	20	DDGD	
Cc1oc(C(=O)O)cc1C=NNC(=O)c1n[nH]c2c1CCCC2	1600828195	LDLXSWXPQBMTNU-UHFFFAOYSA-N	316.317	1.652	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCC(C)C)cc(-c2nn[nH]n2)n1C	1609383426	RWULOWHPVXRIKC-XGICHPGQSA-N	313.365	1.193	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)N[C@]1(C(=O)O)C[C@H](O)C1	1601266351	MOVIGWNXQSWYJW-BREBYQMCSA-N	319.448	1.795	50	20	DDGD	
O=C(NCc1cccnn1)NNc1cccc(C(=O)O)c1F	1608472106	FRVDIDGSYIWLSQ-UHFFFAOYSA-N	305.269	1.140	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2cc(C(=O)O)co2)c1	1610525282	YVKGNAXQVCBMQQ-UHFFFAOYSA-N	302.286	1.815	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(F)CC1)[C@@H](F)Cl	1801477514	YQMRBFOQZIQGTR-UTINFBMNSA-N	306.740	1.661	50	20	DDGD	
CCOc1ccc(C(=O)NN[C@@H](C(=O)O)C2CC2)cc1OC	1610039909	ZRPACHYFAIUIGW-CYBMUJFWSA-N	308.334	1.192	50	20	DDGD	
CCOC(=O)C1(O)CCN(C(=O)C2CCC(Cl)CC2)CC1	1548650233	UGYBDRWJXWGWPW-UHFFFAOYSA-N	317.813	1.701	50	20	DDGD	
CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Br	1800156131	GKLVIVFIRVMUEF-DKIAZLNASA-N	321.190	1.725	50	20	DDGD	
O=C(NN=Cc1cccc(Cl)c1)[C@H]1CN2CCC[C@@H]2CO1	1549317555	WTFUMDLFMDKMCM-ZIAGYGMSSA-N	307.781	1.653	50	20	DDGD	
CC(CCC(F)(F)F)=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549321888	VUIVQYBAPQGQCI-WDEREUQCSA-N	307.316	1.684	50	20	DDGD	
Cn1cc([C@H]2OCCC[C@@H]2C=NNC(=O)c2cnccn2)cn1	1552445986	BUMNECXIMYVNJP-RISCZKNCSA-N	314.349	1.094	50	20	DDGD	
CNNC(=O)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O	1578744470	IJOUJSGDJHERPF-MRXNPFEDSA-N	309.369	1.504	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H](F)C2CNC2)cc1	1575273171	VCWCDDMAVQWWDL-ZDUSSCGKSA-N	307.369	1.303	50	20	DDGD	
O=C(C[C@@H]1CNc2ccccc21)NNC(=O)c1ccccc1O	1580518096	VHXVLHGISKKYOF-LLVKDONJSA-N	311.341	1.753	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@H]1NCCc2ccccc21	1580737134	LICIWZZEBGBACT-AWEZNQCLSA-N	318.446	1.169	50	20	DDGD	
O=C(COc1ccccc1-c1nn[nH]n1)NN=C1CC[C@@H]2C[C@H]12	1592896842	FQQITSULKMSIIZ-KOLCDFICSA-N	312.333	1.148	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(C(=O)O)ccc1N1CCCC1	1594712366	JAWCFVYFROXONR-UHFFFAOYSA-N	320.349	1.548	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1ccc(C(=O)O)cc1F	1596659185	MAZBJCYFOZFRLX-UHFFFAOYSA-N	313.285	1.103	50	20	DDGD	
CC1=C(C(=O)NNc2cccc(F)c2C(=O)O)C(=O)OC1(C)C	1594094171	VXQJLLBNORFBMH-UHFFFAOYSA-N	322.292	1.619	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1ccc(-c2nn[nH]n2)cc1	1593167367	HJKYHKQFNKSRRM-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
N#Cc1ccccc1/C=C\C(=O)NNc1ncccc1C(=O)O	1594628826	RAMAFUZDSQEVJO-FPLPWBNLSA-N	308.297	1.808	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1ccc(-c2nn[nH]n2)o1	1593160984	CKXIAWZCGFPVAO-UHFFFAOYSA-N	324.222	1.634	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1C[C@H](C(=O)O)c2ccccc21	1591765351	TYNZMZNXLHZPGL-XACNLCELSA-N	300.314	1.860	50	20	DDGD	
N#CCc1ccc(O)c(C=NNC(=O)c2cccc(C(=O)O)c2)c1	1776096060	JGSNJYHZISXFRB-UHFFFAOYSA-N	323.308	1.920	50	20	DDGD	
O=C(NN=Cc1cnn2c1CCC2)Nc1ccc(C(=O)O)cc1	1776045893	QWSXLFCXDKEVCT-UHFFFAOYSA-N	313.317	1.683	50	20	DDGD	
O=C(NN=Cc1cc(C(=O)O)c(Cl)s1)c1ncon1	1776106014	NLIOXIXTEJEIRP-UHFFFAOYSA-N	300.683	1.247	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl)C1CCC1	1793110760	YKYZAFODDUAXLV-RNJOBUHISA-N	314.813	1.024	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccnc2S)cc1	14056119	DVXAFKRLTWVVCA-UHFFFAOYSA-N	303.343	1.454	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1ccc2[nH]nnc2c1	16497161	HTVSOKFAGRKFFJ-UHFFFAOYSA-N	313.292	1.101	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@H]2CCCCO2)c1C	161372776	UZFAQKFGVAMNEL-DZGCQCFKSA-N	320.389	1.787	50	20	DDGD	
CC(=O)NNC(=O)Nc1nnc(Cc2ccc(C)cc2)s1	163336066	RBTJXCFDXYPGEL-UHFFFAOYSA-N	305.363	1.610	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	164804733	LEQMQLCNRDBTGN-CHISNJGVSA-N	320.368	1.788	50	20	DDGD	
CCONC(=O)NNC(=O)c1ccc(-n2c(C)ccc2C)cc1	166417480	HZIGQNPSXMJPSV-UHFFFAOYSA-N	316.361	1.990	50	20	DDGD	
Cc1cc(C)cc(C(=O)NNC(=O)C(=O)Nc2ccccn2)c1	152112092	MBHWMDLOFXLHJS-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
CCC[C@H](C(=O)NNc1nccc(N2CCOCC2)n1)C(C)C	155677303	YOJLOKGUUMFWIR-ZDUSSCGKSA-N	321.425	1.829	50	20	DDGD	
CCN(CC(=O)NNC(=O)Cc1ccccc1C)C[C@H](C)C#N	155293191	GJJQERARPYYYPW-CYBMUJFWSA-N	316.405	1.167	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1O	6209749	PIQZAKZYYMRNOH-BWODNOAJSA-N	302.330	1.603	50	20	DDGD	
COc1ccc(-c2cc(C(=O)N/N=C\c3ccc(OC)c(O)c3)[nH]n2)cc1	160227628	KQMZYZDLRDTSLV-GFCCVEGCSA-N	366.377	2.563	50	20	DDGD	
CSSCCNc1cnn(C)c(=O)c1Br	309073902	HZVAJQQJMHHIJM-UHFFFAOYSA-N	310.242	1.966	50	20	DDGD	
C[C@H](NS(=O)(=O)c1ccc(CCl)cc1)C1(CO)CC1	696045877	WRXPETKMFPGWIZ-JTQLQIEISA-N	303.811	1.865	50	20	DDGD	
O=C(Cn1ccccc1=O)NNC(=O)c1cc2ccccc2o1	7950531	IWZYWAIVGUAMRD-UHFFFAOYSA-N	311.297	1.056	50	20	DDGD	
CCCCC(=O)N1CSC[C@@H]1C(=O)NNc1cc(C)ccn1	176729543	VSQWOOMPLKUVDM-GFCCVEGCSA-N	322.434	1.925	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2CCCCN2CC)cc1	104202664	SBGXKVPSLLWZCG-HNNXBMFYSA-N	303.406	1.884	50	20	DDGD	
O=C(COCC1CC1)NNC(=O)c1cccc(OC(F)F)c1	103041368	RZVYYVVXSUNXFF-UHFFFAOYSA-N	314.288	1.476	50	20	DDGD	
O=C(Cc1ccccc1OC(F)F)NNC(=O)NCC1CC1	118320743	TYVGJHOVCJWWOS-UHFFFAOYSA-N	313.304	1.571	50	20	DDGD	
C[C@@H](O)C[C@H](CNC(=O)NNc1cccnn1)c1ccccc1	177886699	GCEUUISKAICTKV-TZMCWYRMSA-N	315.377	1.657	50	20	DDGD	
O=C(CSc1ccc([N+](=O)[O-])cc1)NNC(=O)NC1CC1	64429006	GSVGVJBAPFEZAW-UHFFFAOYSA-N	310.335	1.180	50	20	DDGD	
CN(C)C1(C(=O)NNc2nc(-c3ccccc3)no2)CCC1	119877202	CNYVFOGJKVOEPZ-UHFFFAOYSA-N	301.350	1.664	50	20	DDGD	
C=CCN(CC(=O)NNC(=O)C1CC1)Cc1cccc(C#N)c1	112977917	NATCNGPMYDJHDK-UHFFFAOYSA-N	312.373	1.104	50	20	DDGD	
CCSc1ccc(Cl)cc1C(=O)NNC(=O)CN(C)C	176287227	YBFCVONKTIPGCP-UHFFFAOYSA-N	315.826	1.775	50	20	DDGD	
O=C(Cc1csc(-c2cccnc2)n1)NNc1ncccn1	124021700	DREIQWPHYBINAE-UHFFFAOYSA-N	312.358	1.681	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NNc2ncc(F)cn2)C1	123419509	GZYONZQXDGMDJM-SNVBAGLBSA-N	323.372	1.344	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(Br)cc1O	127517452	VBUKOBBWZREESA-UHFFFAOYSA-N	315.167	1.962	50	20	DDGD	
CCCCc1ccc(NC(=O)C(=O)NNc2ncccn2)cc1	120068202	WOTKMDTYISBJHK-UHFFFAOYSA-N	313.361	1.901	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNc2cccnn2)cc1OC	183211400	ZYBRTCQDKLIHQS-NSHDSACASA-N	316.361	1.816	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2)cc1	181983746	KPQSPYPNOMZWQD-UHFFFAOYSA-N	311.341	1.649	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnn(-c2ccccc2C)c1	70003404	YWNULAJTZNILCM-UHFFFAOYSA-N	315.402	1.476	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C1(O)CCCCC1	127897229	CBIWSOCESJWOKQ-NSHDSACASA-N	324.352	1.436	50	20	DDGD	
Cc1ccc(C)n1-c1c(C(=O)NNc2ccncc2)cnn1C	183015464	MBCLCXZNUXQBNI-UHFFFAOYSA-N	310.361	1.980	50	20	DDGD	
CCCCC(=O)N1CSC[C@H]1C(=O)NNc1ccncc1	180527381	GIKVTZRKIMSZOW-LBPRGKRZSA-N	308.407	1.616	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)/C=C/c1ccc[nH]1	189627567	ATLBERAXFNFLOG-BQYQJAHWSA-N	309.329	1.445	50	20	DDGD	
O=C(Cc1csc(N2CCCC2=O)n1)NNc1ccncc1	180469030	OBYLJATZDHBZCM-UHFFFAOYSA-N	317.374	1.351	50	20	DDGD	
COc1ccnc(NNC(=O)c2cn(C(C)(C)C)nc2C)n1	182105422	JAOWECGQSRPLGM-UHFFFAOYSA-N	304.354	1.502	50	20	DDGD	
O=C(NNc1ccc(F)cc1Br)C1(O)CCC1	185397144	MRUYMDSPDWNNAC-UHFFFAOYSA-N	303.131	1.946	50	20	DDGD	
Cc1nc(S)sc1CC(=O)NNC(=O)Cc1ccncc1	82977563	IPFRJLSKGUEBIW-UHFFFAOYSA-N	322.415	1.068	50	20	DDGD	
CCCC[C@@H](COC)NC(=O)NNC(=O)Cc1ccncc1	83231026	DTDMCKQMWZCOBK-ZDUSSCGKSA-N	308.382	1.160	50	20	DDGD	
CCc1cc(NNC(=O)CCCOC)nc(-c2ccccn2)n1	131268796	UBLSEWZSYQUJGA-UHFFFAOYSA-N	315.377	1.971	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)o1	84373697	DQAXHWVXZMCEKF-QMTHXVAHSA-N	316.313	1.578	50	20	DDGD	
COc1nccnc1NNC(=O)C[C@H](C)c1c(C)noc1C	132141615	YGARXRBGIWYGHX-QMMMGPOBSA-N	305.338	1.727	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C#Cc2ccc3c(c2)OCO3)n1	136108490	NDIRDGLGEHYHNI-UHFFFAOYSA-N	310.313	1.317	50	20	DDGD	
CCCCC[C@H](C)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	42994874	NCVNJJCISZKCPX-AAEUAGOBSA-N	305.444	1.336	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1sccc1Br	190066675	BXSSVCFRQMTGFM-UHFFFAOYSA-N	307.169	1.043	50	20	DDGD	
CC[C@@H](Oc1ccccc1Cl)C(=O)NNC(=O)C(C)(C)O	190063570	BOSAJKHHTHIECZ-SNVBAGLBSA-N	314.769	1.416	50	20	DDGD	
NC(=O)N1CCC[C@H]1C(=O)NNc1cc(Cl)ccc1Cl	269593583	SLROBDPUDFFGIB-JTQLQIEISA-N	317.176	1.980	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc2nc(C)ccc2o1	264153204	IEIWFWHJKDTRPQ-UHFFFAOYSA-N	306.322	1.117	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@H](OC)C(C)C	266786252	YRZWXVQEERZEHS-ZDUSSCGKSA-N	309.366	1.310	50	20	DDGD	
O=C(CN1CSCC1=O)NNc1ccc(OC(F)F)cc1	269640522	ZWXDCVDUZYVHMJ-UHFFFAOYSA-N	317.317	1.264	50	20	DDGD	
CNC(=O)NNC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1	265659757	QMEKAQISTDTJSM-MRVPVSSYSA-N	303.284	1.844	50	20	DDGD	
C[C@H](CO)CNS(=O)(=O)c1ccc(CCCCl)cc1	269848721	WZAIGYROKJIHHT-NSHDSACASA-N	305.827	1.765	50	20	DDGD	
Cc1c(NNC(=O)NOC[C@H]2CCOC2)cccc1[N+](=O)[O-]	276317797	NBCPIQFKBPKTIO-JTQLQIEISA-N	310.310	1.497	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)[C@H]2CN3CCCN2CC3)cc1	365043566	RBJMVPAOGADELM-MRXNPFEDSA-N	316.449	1.817	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NO[C@@H]1CCCCO1)c1ccccc1	274855075	BMYUWSBJAJSYAO-UONOGXRCSA-N	321.377	1.969	50	20	DDGD	
C[C@H](C(=O)NN(C)c1ccccc1)n1nnnc1C(C)(C)C	273500252	YPPZRBBFZSBSDK-LLVKDONJSA-N	302.382	1.699	50	20	DDGD	
CCC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CC2CC2)c1	274051725	JDEDTOWETUQYQZ-UHFFFAOYSA-N	317.345	1.165	50	20	DDGD	
C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N1CC=C(C#N)CC1	272690894	ULGYTTYTRLGBJD-INIZCTEOSA-N	324.428	1.879	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1cccc(C(=O)OC)c1	272806343	KDNBBHLSTOLAFE-NSHDSACASA-N	310.350	1.358	50	20	DDGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](n2cncn2)C1	364451574	ANLUWHKLWAJUEY-NBVHUKTGSA-N	310.317	1.998	50	20	DDGD	
Cn1cc([C@H]2OCC[C@@H]2C(=O)NNc2ccc(F)cc2F)cn1	276044145	SAHVYXVBKBDLEW-SMDDNHRTSA-N	322.315	1.919	50	20	DDGD	
COc1cc(C)ccc1CNS(=O)(=O)CBr	272796630	KDSKTUQKDGBZLB-UHFFFAOYSA-N	308.197	1.775	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)[C@@H]2CCCN2C(N)=O)cc1	272897404	BLHHEVODOXQSDB-ZDUSSCGKSA-N	304.394	1.970	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(F)cc1C	276523579	GOVGDTXSBLWRFY-UHFFFAOYSA-N	312.341	1.684	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@]1(C)CCCOC1)c1ccccc1	273003047	SYFVUEXZIAJMPN-QGZVFWFLSA-N	304.390	1.928	50	20	DDGD	
CC1(C)CC[C@@H]1NC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	287925152	DDWLBECQVZZLRD-NSHDSACASA-N	322.321	1.433	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H]1CC[C@@H]1C(=O)OC)c1ccccc1	286203093	YAHXHIDDNXNKPY-IHRRRGAJSA-N	318.373	1.527	50	20	DDGD	
C[S@@](=O)C1(CNC(=O)NNc2ccc(Cl)nc2)CCC1	280729122	ILELOGULKPQJFC-HXUWFJFHSA-N	316.814	1.662	50	20	DDGD	
CN(C)c1cc(C(=O)NNC(=O)C2CCC2)nc2ccccc12	282938171	DHKUBKVLJCCQFA-UHFFFAOYSA-N	312.373	1.862	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNc1nccnc1C1CCC1	287211359	NSQZPXHJLUDLBJ-UHFFFAOYSA-N	306.366	1.777	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H]2CCOC[C@H]2C)c1	287907304	PYEZBGZZTQHISF-DGCLKSJQSA-N	321.377	1.772	50	20	DDGD	
CN(C)c1cc(C(=O)NNc2nccnc2C2CCC2)ccn1	286846475	AOWUTZMAGSNFAM-UHFFFAOYSA-N	312.377	1.962	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@H]2CC2(F)F)c1C	294407254	PUTAFQJXOKIKDJ-WDEREUQCSA-N	312.316	1.873	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)N[C@@H]1CCN2CCCC[C@@H]12	292814877	WNFGUJBYEMPDPK-MNOVXSKESA-N	309.801	1.988	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H](C)C(C)(F)F)cc1	292562357	DCXCPNORRYDYIG-JTQLQIEISA-N	300.305	1.813	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NNC(=O)Nc2ccccc2C)C1	299251178	ZDKFUNCZGDRJKR-ZDUSSCGKSA-N	318.377	1.406	50	20	DDGD	
CO[C@@H](Cc1ccccc1)C(=O)NNC(=O)NC1CCCCC1	294343620	LLQYPUDIBYLFKE-HNNXBMFYSA-N	319.405	1.907	50	20	DDGD	
O=C(NNc1ccccc1)[C@@H]1CCCN1C(=O)C(F)(F)F	806372189	DVIHVRGZIFZLDC-JTQLQIEISA-N	301.268	1.683	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cc(C)n(C)c2C)cc1	298189256	BMIIPCQWOQTVIA-UHFFFAOYSA-N	315.373	1.790	50	20	DDGD	
C[C@H](C(=O)NNc1ncc(F)cc1F)N1CCSCC1	296860524	GMLMWPKEJRMGNA-MRVPVSSYSA-N	302.350	1.240	50	20	DDGD	
CC(=O)N(CCC(=O)NNc1ccncn1)Cc1ccccc1	295550268	TXVZGHOHVDFPGJ-UHFFFAOYSA-N	313.361	1.359	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cnc2ccc(F)cc2c1	292135105	LRLFBQDFTSLQNA-ZDUSSCGKSA-N	303.293	1.314	50	20	DDGD	
COCc1ncc(C(=O)NNc2cccc(C(=O)OC)c2)s1	803084381	XQRGQDVCXDYYNO-UHFFFAOYSA-N	321.358	1.833	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2cccc(F)n2)c1C#N	807393128	XUWCWRPNXUKEOQ-UHFFFAOYSA-N	313.292	1.483	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNC(=O)CCc1ccccc1	808334485	GKBQMQBIHUCUQM-GFCCVEGCSA-N	306.362	1.356	50	20	DDGD	
C=C(CBr)CN1CC[C@](COC)(C(=O)OC)C1	295254772	ZMMHPDBYPGGKTA-LBPRGKRZSA-N	306.200	1.449	50	20	DDGD	
Cc1c(F)cccc1S(=O)(=O)NNC(=O)[C@H]1CCCCO1	296520685	CDSHLDJLHWIPHT-LLVKDONJSA-N	316.354	1.013	50	20	DDGD	
CS(=O)(=O)CCC(=O)NNc1ccc(Br)cc1	298941656	JGHKXCLZGKENLX-UHFFFAOYSA-N	321.196	1.327	50	20	DDGD	
O=C(Cc1ccc2c[nH]nc2c1)NNc1ncccc1[N+](=O)[O-]	807061507	QORVDPSYUBCMMD-UHFFFAOYSA-N	312.289	1.552	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNc1ccc2c(=O)[nH]ccc2c1	803430135	WQPNBSFNVUYHDG-UHFFFAOYSA-N	317.345	1.561	50	20	DDGD	
CCOCCCN1CCC(=NNC(=O)Cc2cc[nH]n2)[C@@H](C)C1	814957954	XQQSFMYLVYPIJK-ZDUSSCGKSA-N	321.425	1.193	50	20	DDGD	
CC(C)n1cncc1C=NNC(=O)[C@H]1COc2ccccc2O1	819801922	VGTPQVNJZXYIGF-OAHLLOKOSA-N	314.345	1.754	50	20	DDGD	
Cc1nc(C(C)C)ccc1C(=O)NNC(=O)Cc1cccnc1	815410823	RMIHVZHMPJNYBU-UHFFFAOYSA-N	312.373	1.912	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)Cc2cn3ccccc3n2)C1	819807533	CLORNVLOJOHRDI-UHFFFAOYSA-N	314.345	1.322	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1cc([N+](=O)[O-])ccc1Cl	814953751	NQWUXNPBCMMKOZ-UHFFFAOYSA-N	307.697	1.664	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C1CCC(C(=O)O)CC1	814713723	USGUGIAVUQXKOY-UHFFFAOYSA-N	319.361	1.854	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1c(C)coc1CC(=O)OC	813423723	MLDAUSOEIMCQOM-UHFFFAOYSA-N	311.338	1.048	50	20	DDGD	
O=C(NCCc1ccc(Cl)nc1)NNc1ncncc1F	814312459	IIWLJGIXGVGOHZ-UHFFFAOYSA-N	310.720	1.533	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)c1cnccn1)O[C@@H](C)C2	818285592	FWXPDIQSLOTMCX-JTQLQIEISA-N	312.329	1.573	50	20	DDGD	
Cc1ccc(-c2nc(CC(=O)NNc3nc[nH]n3)cs2)o1	816634936	XOTBZQBMOHAXRE-UHFFFAOYSA-N	304.335	1.515	50	20	DDGD	
O=C(Cc1ccccc1OC(F)F)NNc1ncncc1F	817083876	WMIJMYWWSJLPSA-UHFFFAOYSA-N	312.251	1.903	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cn2ccc3ccccc32)nn1C	729454185	KFRIADQWQGQNAS-UHFFFAOYSA-N	311.345	1.144	50	20	DDGD	
O=C(NCc1ccco1)NN=Cc1ccc(-c2nn[nH]n2)s1	823261998	ZASVBDGAELYWRS-UHFFFAOYSA-N	317.334	1.355	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(CCc1ccc(F)cc1)C1CC1	827844694	UWBLLZGMRIVFIL-UHFFFAOYSA-N	321.396	1.636	50	20	DDGD	
C[C@H]1CN(CCNC(=O)/C(C#N)=C\c2ccc(F)cc2)CCO1	490846679	VVBBRTZUGQORSK-OJNRTJSBSA-N	317.364	1.570	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc(COC(C)C)cc1	495326978	USAMEDHHEOXZOO-UHFFFAOYSA-N	323.349	1.327	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)Cn2ccc3ccccc32)nc1	729451979	MHYJBPHAHBHSBU-UHFFFAOYSA-N	318.336	1.479	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(Br)cn1CC	726770400	UCIYMEJFAVFPIA-UHFFFAOYSA-N	317.187	1.625	50	20	DDGD	
COC(=O)NCc1ccc(NC(=O)NNc2ncccn2)cc1	496291631	IRTQJYFEXNIERO-UHFFFAOYSA-N	316.321	1.481	50	20	DDGD	
CCCONC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	828278870	XSQREGZXIQXVFX-UHFFFAOYSA-N	318.280	1.965	50	20	DDGD	
COC(=O)N(C)NC(=O)Cc1ccc(F)cc1Br	495692855	KCUKWKYEJWVGRA-UHFFFAOYSA-N	319.130	1.860	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)COc2cc(C)cc(C)c2)cn1	728856040	ZPZAQHUPKUHIMZ-UHFFFAOYSA-N	323.352	1.520	50	20	DDGD	
Cc1cccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1O	826296259	PDHFZXGEDXEBLJ-UHFFFAOYSA-N	310.317	1.638	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNc1cccc(C(=O)OC)c1C	825156820	AMKJSONNEQRTLY-VXGBXAGGSA-N	320.345	1.424	50	20	DDGD	
OB(O)c1ccccc1CNC[C@@H]1[C@@H]2CCc3ccccc3[C@H]21	585029407	YAJWZTYLMXNNED-YQVWRLOYSA-N	307.202	1.432	50	20	DDGD	
O=C(Cc1coc(-c2cccs2)n1)N1CC[C@H](B(O)O)C1	585069202	JFHYFIUMLSUPBP-VIFPVBQESA-N	306.152	1.021	50	20	DDGD	
COC[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1cccc(C)c1	495710931	ZHPOFFJQNWEAMK-ZDUSSCGKSA-N	323.393	1.978	50	20	DDGD	
COCCn1cc(C(=O)NN(C)[C@@H](C)CO)c2ccccc21	823964681	DBGOKARIBUOXTQ-LBPRGKRZSA-N	305.378	1.245	50	20	DDGD	
CCC[C@H](C)[C@H]1CCCN1C(=O)c1ccc(B(O)O)c(F)c1	584963536	UTLXBMVYRJTEJP-XHDPSFHLSA-N	307.174	1.546	50	20	DDGD	
CN(CC(=O)N1CCCC1)C(=O)[C@]1(C)C[C@@H]1Br	905504722	MEEKBTQDLWBQOD-JOYOIKCWSA-N	303.200	1.241	50	20	DDGD	
CC[C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(B(O)O)c(F)c1	584949440	LSZJSOUQACXWEJ-NHYWBVRUSA-N	307.174	1.546	50	20	DDGD	
Cc1cc(Cl)c(C(=O)NNC(=O)NC(C)C)cc1[N+](=O)[O-]	824404392	PGUGUYOKFSJQRP-UHFFFAOYSA-N	314.729	1.909	50	20	DDGD	
C[C@H](CN1CCCC1=O)NC(=O)[C@@]1(C)C[C@H]1Br	906343306	GTOKJMJSCMDGFG-LNLATYFQSA-N	303.200	1.287	50	20	DDGD	
OB(O)c1ccc(CNC[C@H]2SCCc3ccccc32)cc1	585026968	VETZRYOBSCTZKW-QGZVFWFLSA-N	313.231	1.487	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2cccc3c2OCO3)nn1	730023677	UCUNZBMCUGKOII-UHFFFAOYSA-N	301.306	1.340	50	20	DDGD	
O=C(NCC1(c2ccccc2)CCC1)c1cccc(B(O)O)c1	584929772	VINFKSWWZPNDCT-UHFFFAOYSA-N	309.174	1.218	50	20	DDGD	
CC[C@H](O)CCCNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	490727061	XMDCXZIKYLLZQG-VCHSTOLQSA-N	314.389	1.779	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2CSc3ccccc32)n1	735585751	HTQVHRDCJMDBEW-JTQLQIEISA-N	317.374	1.958	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)NNC(=O)CC1CC1	497026468	FCTRSZROBRQSIQ-UWVGGRQHSA-N	313.398	1.483	50	20	DDGD	
COc1ccc(NNC(=O)c2cnc3n2CCC3)c([N+](=O)[O-])c1	830497788	IGXCBUHJPAKHDO-UHFFFAOYSA-N	317.305	1.503	50	20	DDGD	
CCC(C)(C)OCC(=O)NNC(=O)c1ccc2c(c1)OCCO2	837321850	QGKSRPNFWWNBCG-UHFFFAOYSA-N	322.361	1.424	50	20	DDGD	
CCCCN(C)C[C@H](C)NC(=O)NNC(=O)OC(C)(C)C	497316366	SPRDVGCBPSLRTP-NSHDSACASA-N	302.419	1.846	50	20	DDGD	
C[C@H](COc1ccccc1)NC(=O)NNC(=O)[C@H]1CCCCO1	837742538	CJIVAULGUIBDRZ-TZMCWYRMSA-N	321.377	1.353	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@@H](C)C[C@@H](C)N)cc1	831223736	HXONYPDRPUUWIV-ZJUUUORDSA-N	309.370	1.157	50	20	DDGD	
CC(=O)N1CCC(NC(=O)[C@]2(C)C[C@@H]2Br)CC1	905327691	QHVCQNGXNUTQDA-CMPLNLGQSA-N	303.200	1.287	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)c2cn(C)c3ccccc23)n1	834933299	JHPDLVNTVGDKFG-UHFFFAOYSA-N	310.361	1.862	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNC(=O)c1cc2c(s1)CCC2	838776814	UNYDXJQYFHKZEW-MNOVXSKESA-N	323.418	1.748	50	20	DDGD	
CC(C)[C@@]1(C)C[C@@H]1NC(=O)NNC(=O)c1ccc(C#N)cc1	838767219	XDCAFJVDZNLURD-XJKSGUPXSA-N	300.362	1.937	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)c1F	837060813	FTCOXHYDRDZRHF-VYUIOLGVSA-N	310.325	1.869	50	20	DDGD	
C/C(=C(/F)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)C1CC1	908280715	QQKQLTSASCXRIX-ZGSOTFDTSA-N	304.387	1.132	50	20	DDGD	
CN(C)c1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)C2CCC2)cc1	732141627	KXNSPKVHAGPINH-LSDHHAIUSA-N	301.390	1.804	50	20	DDGD	
Cc1ccc(C[C@@H](CO)NC(=O)NNC(=O)C(C)(C)C)cc1C	836292145	NGBDOLUPNFJZAB-AWEZNQCLSA-N	321.421	1.583	50	20	DDGD	
CCc1cccc2c1NC(=O)C2=NNC(=O)NCC(F)(F)F	733076793	ZRWVZMSGQKEDSS-UHFFFAOYSA-N	314.267	1.767	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)Cc2nnn(C(C)(C)C)n2)c1	830786478	SMXNATWSYBNXMZ-UHFFFAOYSA-N	302.382	1.731	50	20	DDGD	
COC1CCN(C2(CNS(=O)(=O)CCl)CCCC2)CC1	830429360	NWZKPLRHGSWGRG-UHFFFAOYSA-N	324.874	1.526	50	20	DDGD	
Cc1nn(-c2ccc(Cl)cc2)cc1CN1CC[C@H](B(O)O)C1	585077507	VEAMNEBBSMCYHS-ZDUSSCGKSA-N	319.601	1.883	50	20	DDGD	
O=C(Cc1ccsc1)NNC(=O)[C@H]1CCC[C@H](C(=O)O)C1	833119975	KNPGLFVXGFNUCQ-QWRGUYRKSA-N	310.375	1.329	50	20	DDGD	
C[C@@H]1CCC[C@@H](N2CCC(=NNC(=O)NCC(=O)O)CC2)C1	833606948	AZOVCIIQDKRSFQ-DGCLKSJQSA-N	310.398	1.401	50	20	DDGD	
CC(=NNC(=O)C1CC1)c1ccc(S(=O)(=O)N(C)C)cc1	916291105	NVOSZOKACDBYFM-UHFFFAOYSA-N	309.391	1.187	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cc2c(s1)CCC2)c1cnn(C)c1	749865729	QVSJPOJCKVPIBR-SECBINFHSA-N	318.402	1.535	50	20	DDGD	
COc1cc(C=NNC(=O)NCC(F)(F)F)cc(OC)c1O	917551863	MQVIGQKBEVZTCE-UHFFFAOYSA-N	321.255	1.605	50	20	DDGD	
CO[C@@H](C=NNC(=O)CNc1ccccc1F)[C@@H]1CCOC1	841605162	XFXQEEYAASJXCM-RISCZKNCSA-N	309.341	1.391	50	20	DDGD	
O=C1C[C@H](CNC(=O)NNc2ccc(Cl)cc2Cl)CN1	840399373	PGXJWIJJEFIBHP-ZETCQYMHSA-N	317.176	1.756	50	20	DDGD	
Cc1c(NNC(=O)NC[C@@H]2CCCCN2)cccc1[N+](=O)[O-]	841921513	KRASHPMROLJCAZ-NSHDSACASA-N	307.354	1.671	50	20	DDGD	
CCONC(=O)CNC(=O)NNc1ccc(Cl)c(F)c1	845545611	YHQZRDUHNCUTAS-UHFFFAOYSA-N	304.709	1.173	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)C[C@H](OC)C1CCCCC1	849307580	ZFTCTPMFPUWRFN-LBPRGKRZSA-N	321.443	1.125	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1	843657777	RWKFKRQAOMNUFB-GSVCSZOMSA-N	306.337	1.502	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(C(=O)OC(C)(C)C)nc1	845074565	RYCLNPLABBXDEE-UHFFFAOYSA-N	309.322	1.428	50	20	DDGD	
C[C@H]1OC(=O)N[C@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	841440509	WKZKQCSVCRZEKA-SVGQVSJJSA-N	304.228	1.040	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(O)c2ccsc2c1	843971807	RLGZABOVQYLREF-PSASIEDQSA-N	320.370	1.793	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)COc1c(Cl)cccc1Cl	910181026	ROLSNOILTPZSBX-QMMMGPOBSA-N	307.177	1.716	50	20	DDGD	
CO[C@@H](CC(=O)NNC(=O)Cc1ccccc1C)C(F)(F)F	844429874	VKFKPGQIPUPMQR-NSHDSACASA-N	318.295	1.652	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNc2ncc(Br)cn2)O1	848321113	JBDDRXHFMBAQPY-BDAKNGLRSA-N	315.171	1.640	50	20	DDGD	
CCn1ccc(CNC(=O)NNC(=O)Cc2ccccc2F)n1	840400483	ZGDKACWQNMGOJD-UHFFFAOYSA-N	319.340	1.115	50	20	DDGD	
NC(=O)[C@H]1CC[C@H]1C(=O)NNc1cc(C(F)(F)F)ccc1F	847609268	JISDLCVQFWRVKR-JGVFFNPUSA-N	319.258	1.799	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCC2(SC)CC2)cc1	845158000	ZJCFIOATDYREFB-UHFFFAOYSA-N	323.418	1.924	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)n1ccnc1[C@H](O)C1CCCCC1	849948181	NGMVEKNLPVWNCC-BXUZGUMPSA-N	322.409	1.615	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@H]1CCc2ccccc2O1	840288159	GLFCBBJZCLCNJQ-CQSZACIVSA-N	315.329	1.504	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1nc2ccccc2n1C	842553423	FJHANXQYDCQYLJ-RYUDHWBXSA-N	300.362	1.839	50	20	DDGD	
Cc1cc(OCC(=O)NNc2oc(C(C)C)nc2C#N)no1	746523448	BXKZERXRVJTRQW-UHFFFAOYSA-N	305.294	1.488	50	20	DDGD	
CNC(=O)c1ccc(C(=O)NNc2ccccc2Cl)cn1	748333661	RULFTJQBWKOCIG-UHFFFAOYSA-N	304.737	1.852	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H](C)Cc2ccccn2)n1	848659627	OARSRDDHIAPVKP-LBPRGKRZSA-N	313.361	1.360	50	20	DDGD	
O=C(NNC(=O)c1ccncc1F)c1ccc(Cl)cc1O	741280063	VFCUHGMLSVSCOI-UHFFFAOYSA-N	309.684	1.655	50	20	DDGD	
COC(=O)C12CC(C(=O)NNc3ccc(F)cc3OC)(C1)C2	846639676	MCTLONNZZNLQRD-UHFFFAOYSA-N	308.309	1.621	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2[nH]c(C)nc2C)c(OC)c1	857119556	SEKVYYGINDBZLG-UHFFFAOYSA-N	318.333	1.119	50	20	DDGD	
C[C@H](C(=O)NC[C@]1(C)C[C@H]1Br)n1cnc(C#N)n1	857388362	REOTWKWRXOXVGU-XLDPMVHQSA-N	312.171	1.000	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H](C)C1CCCC1	854282103	CKKCMLYVGTVKCE-NSHDSACASA-N	301.456	1.687	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CCC(=O)NC1CCCC1	755420009	JEROPEUJHGDYBE-UHFFFAOYSA-N	317.389	1.595	50	20	DDGD	
CN1CC[C@@H]2CN(C(=O)NC[C@@]3(C)C[C@H]3Br)C[C@@H]21	856896471	CNEDIXZDGHYEEP-LSCVPOLPSA-N	316.243	1.505	50	20	DDGD	
CCC(=NNC(=O)N1CCOCC1)c1cc(C(=O)O)ccc1F	756882959	KLCJVKZYBPTNAL-UHFFFAOYSA-N	323.324	1.680	50	20	DDGD	
O=C(Cc1n[nH]c2ccccc12)NNC(=O)OCC(F)(F)F	856024125	JFKJUWOSZYFBLN-UHFFFAOYSA-N	316.239	1.425	50	20	DDGD	
CN1CCN(CC(=O)NNc2cc(Cl)ccc2Cl)CC1	752811916	AWULWQJWIKGEPS-UHFFFAOYSA-N	317.220	1.684	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)Nc1ccc2c(c1)OCO2)C1CC1	852596041	XELKEVHVEGASJZ-LLVKDONJSA-N	320.349	1.940	50	20	DDGD	
C[C@]1(CNC(=O)NCCOCC2CC2)C[C@H]1Br	856833212	XTIWHDVLHZBJPU-ZYHUDNBSSA-N	305.216	1.886	50	20	DDGD	
C=C(CBr)CN1CCOC[C@@H]1C(=O)OC(C)(C)C	852241164	YWHGGRAWZOKTQH-LLVKDONJSA-N	320.227	1.980	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ccc(Cl)cn1)N1CCCC1=O	856093713	NGUBPUFTYQHRON-CYBMUJFWSA-N	310.785	1.825	50	20	DDGD	
CC(=NNC(=O)c1ccccc1O)c1cc(C(=O)O)ccc1O	757451522	RZHSIQWYEODZCM-UHFFFAOYSA-N	314.297	1.950	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cccc(F)n1)[C@H]1C[C@H]2CC[C@H]1C2	853212094	KLSOSJZWXREHNO-NOOOWODRSA-N	320.368	1.989	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]1C1CC1)c1cnn(-c2ccccc2)c1	751276357	YJZWGTFZFOQUAT-GJZGRUSLSA-N	310.357	1.679	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NC[C@]1(C)C[C@@H]1Br	857397750	IUQBEIAURMBACU-SCVCMEIPSA-N	308.216	1.718	50	20	DDGD	
C[C@@H]1NCCN(C(=O)NC[C@]2(C)C[C@H]2Br)[C@@H]1C	857105650	OWJWGYIFWXRKAV-XNDJQWLSSA-N	304.232	1.552	50	20	DDGD	
N#CC[C@H]1CCCN(C(=O)NNC(=O)c2cccc(C#N)c2)C1	852055977	BDBTVOMDCUJTMF-GFCCVEGCSA-N	311.345	1.538	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CC[C@@H]1CC1(Cl)Cl	854287479	CMICHVLVVCAJDB-MRVPVSSYSA-N	304.177	1.760	50	20	DDGD	
CC(C)(CNC(=O)/C(C#N)=C/c1ccc(F)cc1)S(C)(=O)=O	752516270	HRHAWAJBTYJPRQ-XYOKQWHBSA-N	324.377	1.672	50	20	DDGD	
CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@]1(C)C[C@@H]1Br	923266757	SXLCEIGRSSHHPP-SRRSOLGSSA-N	301.228	1.855	50	20	DDGD	
C[C@]1(CNC(=O)N2CCO[C@H](C#N)C2)C[C@H]1Br	856955338	LCFKLHQWJABQIZ-FXPVBKGRSA-N	302.172	1.094	50	20	DDGD	
CC(=NN(C)C(N)=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	853326942	UJWGOPINPCLQLW-JTQLQIEISA-N	300.359	1.009	50	20	DDGD	
COC[C@@](C)(O)C(=O)NNC(=S)Nc1cccc(C)c1C	854185975	CRRSGLTZEBPJFR-CQSZACIVSA-N	311.407	1.018	50	20	DDGD	
COC[C@@H](OC)C(=O)NNC(=O)Cc1ccc2ccccc2c1	856992957	GKJPDWRPUREIFF-OAHLLOKOSA-N	316.357	1.191	50	20	DDGD	
Cn1ncc(C2CC2)c1C=NNC(=O)c1ccc2c(c1)OCO2	853261880	XIDFMBOPJMWLMU-UHFFFAOYSA-N	312.329	1.790	50	20	DDGD	
C=C[C@@H](C)NC(=O)NNC(=O)c1ccc(OCC)c(OC)c1	756970715	DRMCAHJMGBTGGO-SNVBAGLBSA-N	307.350	1.612	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@@H](C)CO[C@H]1CCOC1	853838064	CWJJWEVHEHNEME-AAEUAGOBSA-N	311.357	1.954	50	20	DDGD	
CN(C)[C@@H]1CCC[C@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	852224486	GCVYXIXFHONDMB-WDEREUQCSA-N	323.372	1.038	50	20	DDGD	
CC/C(C)=C(\C)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855833557	OLCDIIOZFALVQS-VAWYXSNFSA-N	311.426	1.823	50	20	DDGD	
COc1cncnc1NC(=O)NC[C@@]1(C)C[C@H]1Br	856868608	CVYDFBDQNRRDQC-LDYMZIIASA-N	315.171	1.780	50	20	DDGD	
COC(=O)Nc1ccc(C(=O)NN(C)C(=O)OC)c(Cl)c1	935908644	OCJJRKFYIXVXDG-UHFFFAOYSA-N	315.713	1.861	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=CC1CCOCC1	755510375	GJWIAQDYIKDEFK-UHFFFAOYSA-N	306.362	1.993	50	20	DDGD	
Cc1nc(-c2ccc(NC(=O)NNC(=O)CO)cc2)oc1C	756211642	DSGPVRJXCOZPLN-UHFFFAOYSA-N	304.306	1.103	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1nc(C2CC2)cs1	755492693	JKNTUGLBBMTHGF-UHFFFAOYSA-N	304.335	1.277	50	20	DDGD	
CCn1cc(C(=O)NNC(=S)N[C@H](C)C2CC2)c(C2CC2)n1	869218736	QAJXQSRDGFWBHZ-SECBINFHSA-N	321.450	1.688	50	20	DDGD	
Cc1cccc(NNC(=O)C(=O)Nc2cn(C)nc2C(C)C)n1	861959351	CQEQPABGYRMQQX-UHFFFAOYSA-N	316.365	1.329	50	20	DDGD	
CC[C@@H](C)N(CC(=O)OC)S(=O)(=O)CC(C)(C)CCl	867225012	IXGUIMSJEWSJMD-SNVBAGLBSA-N	313.847	1.855	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cccc2c1CCOC2	935803146	UBCWRIXCGIEOEA-UHFFFAOYSA-N	317.267	1.266	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H](C)Cc2cnc[nH]2)cc1	863854228	XFVYWNBMALCEKO-LBPRGKRZSA-N	315.377	1.156	50	20	DDGD	
COc1cc(C)c(C(C)=NNC(=O)[C@@H]2CCC(=O)N2)cc1OC	863148359	AEYBAMBKJCOBSE-LBPRGKRZSA-N	319.361	1.131	50	20	DDGD	
COC1(C(=O)NNC(=S)NCCSC)CCCCCC1	935199417	SNDNKILIQRHIEH-UHFFFAOYSA-N	319.496	1.584	50	20	DDGD	
COC(=O)c1ccccc1OS(=O)(=O)CBr	769935097	JWJBGWGQAWZGGF-UHFFFAOYSA-N	309.137	1.534	50	20	DDGD	
C[C@H](Sc1ccccn1)C(=O)NNc1ccnc(N(C)C)n1	762538950	GYWLWGCPNDYWIT-JTQLQIEISA-N	318.406	1.562	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cnn(C3CC3)c2)c1F	861927664	PHBRWBFWDDZCAG-UHFFFAOYSA-N	318.308	1.901	50	20	DDGD	
O=C(NNC(=O)c1ncc2n1CCCC2)NC1CCCCC1	864459413	IVYPAWSTKQBFGF-UHFFFAOYSA-N	305.382	1.496	50	20	DDGD	
CCN(C(C)=O)c1nc(C=NNC(=O)c2ccccn2)cs1	767015189	HXOZMDISATUMIP-UHFFFAOYSA-N	317.374	1.675	50	20	DDGD	
C[C@H](NNC(=O)[C@H]1CCN1C(=O)OC(C)(C)C)C(F)(F)F	862317093	DIYVNUDDNCEUHK-JGVFFNPUSA-N	311.304	1.567	50	20	DDGD	
C[C@H](O)CN1CCN(C(=O)[C@@H](Br)C(C)(C)C)CC1	767977628	BJTLUNWKXVGJCT-WDEREUQCSA-N	321.259	1.321	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)n1	862523900	BPCFSSFFKDTCNJ-CYBMUJFWSA-N	302.378	1.482	50	20	DDGD	
C[C@@H](C#N)CSc1ccccc1NC(=O)NNC(=O)CCO	1116610875	KNJOTIZAYFBGJV-JTQLQIEISA-N	322.390	1.473	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCc2ccc(F)cn2)c1	764375474	CDASLYLRSTZKFG-UHFFFAOYSA-N	313.292	1.237	50	20	DDGD	
Cc1ncc([C@H](C)NC(=O)NNC(=O)CC(F)(F)F)s1	876014224	HIDRFICQXCRVCU-YFKPBYRVSA-N	310.301	1.795	50	20	DDGD	
O=C(NNc1ncccn1)N[C@@H]1CC[C@@H]2SCCS[C@H]21	763058590	GVZRCRLJHYQDRU-UTLUCORTSA-N	311.436	1.482	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)[C@H]2CCC(=O)C2)cc1	874954574	ZZERQRMAESADDC-JTQLQIEISA-N	320.418	1.439	50	20	DDGD	
O=C(CCCCc1cnn[nH]1)NNc1cnnc2ccccc12	768712118	IEEOSXXTGZDKKF-UHFFFAOYSA-N	311.349	1.604	50	20	DDGD	
COCCOCC(=O)NN=Cc1cc(C)c2ncccc2c1	872400972	AGYJMKTYSDEHOJ-UHFFFAOYSA-N	301.346	1.656	50	20	DDGD	
CC(C)CC(=O)N1CCN(CCI)CC1	1116782436	RUHNAGOQVUZTDI-UHFFFAOYSA-N	324.206	1.612	50	20	DDGD	
O=C(NNc1ccc(F)cn1)[C@H]1CC[C@H](C(F)(F)F)NC1=O	874651545	PTWADZQLHOGEIL-JGVFFNPUSA-N	320.246	1.121	50	20	DDGD	
COCCOCC(=O)NN=Cc1ncc(CSC)s1	872400303	IHODRNLLOCYKJP-UHFFFAOYSA-N	303.409	1.119	50	20	DDGD	
CO[C@H](C=NNC(=O)c1n[nH]c2c1CCCC2)C1CCOCC1	1117782555	KMVNBURVKVSLIA-CQSZACIVSA-N	320.393	1.446	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2CCCN2C=O)c(C)c1	873761027	NKVGVHGSXNHVHC-CYBMUJFWSA-N	320.418	1.242	50	20	DDGD	
CC(C)(C)OCc1cc(C(=O)NNC(=O)CC(F)(F)F)no1	770222484	POMDLXCBTZYVOD-UHFFFAOYSA-N	323.271	1.703	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)/C=C\CCc1ccccc1	870033690	RJYGARNVBRUEIQ-FSBNRTBOSA-N	318.373	1.665	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1F	777869304	HDNVYZNIZGYJMP-JTTRITNRSA-N	307.281	1.792	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cccc(C(F)(F)F)c1O	1118307729	CBPLHMYFOWCWMH-UHFFFAOYSA-N	321.324	1.928	50	20	DDGD	
C[C@H]1CCN(S(=O)(=O)NNC(=O)c2cccc(Cl)c2)C1	777913624	OWGSKFQCUKPTSX-VIFPVBQESA-N	317.798	1.161	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1c(Cl)cccc1S(C)(=O)=O	777840756	KCCVQTMERYXQOW-UHFFFAOYSA-N	318.782	1.161	50	20	DDGD	
CC(C)[C@](C)(O)C(=O)NNC(=O)Cn1ccc2ccccc21	771322115	RTUFASCKZMVWDV-INIZCTEOSA-N	303.362	1.196	50	20	DDGD	
Cn1nncc1NNC(=O)c1cccc(Oc2cnccn2)c1	1117723965	RWVKEDGDPFKBIZ-UHFFFAOYSA-N	311.305	1.154	50	20	DDGD	
Cc1cccc(NNC(=O)NC[C@H](C)CC2(C)OCCO2)n1	875372282	NEIPALJUNQPFBL-LLVKDONJSA-N	308.382	1.805	50	20	DDGD	
COc1ncc(C(=O)NNc2ncc(Cl)cc2Cl)cn1	775265831	XSSWQHOAMGUOPL-UHFFFAOYSA-N	314.132	1.944	50	20	DDGD	
CC(=NNC(=O)Cc1cn2ccccc2n1)[C@H]1CCCOC1	779774301	DHOCDXMFDDFKJD-ZDUSSCGKSA-N	300.362	1.796	50	20	DDGD	
CS[C@H](C)CCC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	772240899	XQYKUGJHKNFNDP-GHMZBOCLSA-N	318.439	1.643	50	20	DDGD	
CN1[C@H]2CC[C@H]1CC(NC(=O)NNc1ccc(C#N)cn1)C2	889180830	KZMHSRGKGLSDKR-STQMWFEESA-N	300.366	1.205	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CCn1cc(C)cn1	777827642	GGFJRBACSXHLAP-UHFFFAOYSA-N	302.334	1.512	50	20	DDGD	
CCC1(O)CCC(NS(=O)(=O)CBr)CC1	782478731	IGZDHWDXEGXINS-UHFFFAOYSA-N	300.218	1.342	50	20	DDGD	
CC[C@H](C)[C@H](C)C(=O)OCC(=O)NNC(=O)c1ccccc1	780242674	OBHHHGKWHLCXQB-RYUDHWBXSA-N	306.362	1.673	50	20	DDGD	
CCS(=O)(=O)NCCOC(=O)/C(C#N)=C\c1ccccc1	785352455	YVWOZKSNJFCTMH-RAXLEYEMSA-N	308.359	1.076	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccccc1N1CCOCC1	887143043	JFLWGIKBAAQGHM-UHFFFAOYSA-N	315.373	1.088	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)C1CCOCC1)c1cccnc1	883069305	CUUGZJMTPCPJBF-AWEZNQCLSA-N	305.378	1.395	50	20	DDGD	
COCCOc1ccc(C(=O)NNc2ncncc2Cl)cc1	781832820	BVSDEQIQNUDNCB-UHFFFAOYSA-N	322.752	1.912	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(F)c(S(C)(=O)=O)c1	785866445	CTMCLCAZAQDHQQ-UHFFFAOYSA-N	316.354	1.036	50	20	DDGD	
CO[C@H](CNS(=O)(=O)CCCCl)Cc1ccccc1	882230870	ILLNYVBFWOTWNT-ZDUSSCGKSA-N	305.827	1.792	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)[C@@H](C)N1CCN(C)CC1	885125720	WPYJXVXGYAPRPQ-GFCCVEGCSA-N	310.829	1.727	50	20	DDGD	
Cc1cnc(Cl)c(NC(=O)C(=O)NNc2ccccn2)c1	787893218	HXBWUCRMVIISQB-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
CCCCN(CC(N)=O)C(=O)[C@H](Br)C(C)(C)C	781076549	OGMWPPBSWAOVNH-JTQLQIEISA-N	307.232	1.910	50	20	DDGD	
N#Cc1ccc(NNC(=O)CC2CCC3(CC2)OCCO3)nc1	899661965	LIOLXXBFQULZPN-UHFFFAOYSA-N	316.361	1.720	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H]1CCC[C@@H](C(N)=O)C1	786697015	QMQVGCHBHOYJJZ-NEPJUHHUSA-N	303.362	1.048	50	20	DDGD	
COC(=O)c1csc(NC(=O)C(=O)NNc2ccccn2)c1	784797408	DZAYSGPSIGHQNV-UHFFFAOYSA-N	320.330	1.012	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1ccc(OC[C@@H]2CCCO2)cc1	785461783	XDSBJAJEYDXJCD-AWEZNQCLSA-N	306.362	1.465	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC(=O)c2ccccc21)c1cccnc1	785669919	KUJJMPMFRYIGPZ-AWEZNQCLSA-N	309.325	1.603	50	20	DDGD	
COc1cccc(C[C@H](O)C(=O)NNc2ccc(F)cc2)c1	785403960	MXYNLZJWZGPOMS-HNNXBMFYSA-N	304.321	1.881	50	20	DDGD	
Nc1ncc([N+](=O)[O-])cc1C(=O)NNc1ccccc1[N+](=O)[O-]	782170820	ZFANUQMNRSHNES-UHFFFAOYSA-N	318.249	1.237	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccc(O[C@H]2CCOC2)cc1	788739492	VIQNWMIQQUKMNT-HNNXBMFYSA-N	318.373	1.806	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)COc1ccccc1F	792801220	OAIVZCVTGCJXPT-QMTHXVAHSA-N	312.341	1.413	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)CCc1cccc(Cl)c1	795297562	PKGWCJLYWZZOLS-UHFFFAOYSA-N	318.826	1.879	50	20	DDGD	
C[C@H](Oc1cccc(/C=C(\C#N)S(=O)(=O)N(C)C)c1)C(=O)O	794958357	LTDWMWCRWIHMTI-XNFYSYIQSA-N	324.358	1.294	50	20	DDGD	
CCCC[C@@H](S[C@@H](C)C(=O)NNC(=O)CC)C(=O)OC	794451382	UYUUBBKYWOMQLD-VHSXEESVSA-N	304.412	1.397	50	20	DDGD	
CSSCCNC(=O)CNC(=O)NC1CCCCC1	791113435	ITQXSCBMZUHRSD-UHFFFAOYSA-N	305.469	1.746	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCC(C)(C)O)c2ccccc2n1	799007135	RGZGFAHFUAOGQL-UHFFFAOYSA-N	315.373	1.855	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H](C)Oc1ccccc1F)[C@@H](C)O	790070212	LRKWTHPSYSDVKL-VWYCJHECSA-N	312.341	1.147	50	20	DDGD	
COc1cncc(C(=O)NNc2ccc(C(F)(F)F)cn2)n1	790910107	XIVWBWXVBRREKS-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Nc2cncc(F)c2)c1O	799234120	JSLPPZGUUOVEMD-UHFFFAOYSA-N	320.280	1.401	50	20	DDGD	
Cc1nc2c(C(=O)NNc3ncnc4[nH]cnc34)cccc2o1	792642129	GMZMFOCZDIREII-UHFFFAOYSA-N	309.289	1.559	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CCN(CC(F)(F)F)C2)ncn1	792639675	VDOKZHMVQINVCA-SECBINFHSA-N	303.288	1.112	50	20	DDGD	
COC(=O)C(=O)NN=C1C(=O)Nc2ccc(-c3ccccc3)cc21	1319046451	OUBUHQFTTDSMKZ-UHFFFAOYSA-N	323.308	1.299	50	20	DDGD	
Cc1cccc2nc(C(=O)NNC(=S)NC(C)(C)C)cn12	1317829941	YHTKPXFJGVOWEM-UHFFFAOYSA-N	305.407	1.550	50	20	DDGD	
CC(C)CNC(=S)NNC(=O)CCN1CCC(C)CC1	1248407589	YUYIGTMBRIUDNG-UHFFFAOYSA-N	300.472	1.260	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@@H]1CCCCN1Cc1cccnc1	1320793801	YIYAGLNIGPONLG-INIZCTEOSA-N	311.389	1.396	50	20	DDGD	
CC(C)OCC(=O)NNC(=O)c1cncn1-c1ccccc1	1322007411	LLFVSNHROCQROI-UHFFFAOYSA-N	302.334	1.058	50	20	DDGD	
Cc1cc(=O)cc(C)n1CCCC(=O)NNC(=S)NC(C)C	1324061609	OEGUUCJGDKIQKH-UHFFFAOYSA-N	324.450	1.149	50	20	DDGD	
CC(C)NC(=S)NNC(=O)Cc1cccc2cccnc12	1321541190	CFMWGHJFYWGDJF-UHFFFAOYSA-N	302.403	1.681	50	20	DDGD	
C[C@@H]1CCCN(c2cc(C(=O)NNc3ccn(C)n3)ccn2)C1	1326191645	BSLXNHOGUVSHKB-GFCCVEGCSA-N	314.393	1.808	50	20	DDGD	
COc1cc(F)cc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	1326347147	ZLVPXTBTWPPAMY-UFBFGSQYSA-N	311.313	1.412	50	20	DDGD	
COc1cc(F)cc(NC(=O)NNC(=O)c2ccncc2)c1	1323843987	GPUCBJYWNYHJOD-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
Nc1cnnc(NNC(=O)NCc2cccc(F)c2)c1Cl	1323990498	IQPCBUGTOVGHBR-UHFFFAOYSA-N	310.720	1.678	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc(SC(F)(F)F)cc1	1321140212	IOTHNQDCYXQYCJ-UHFFFAOYSA-N	321.280	1.404	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CCO)cc1OCC(F)F	1320276822	UWFADMSPCSAAIW-UHFFFAOYSA-N	317.292	1.174	50	20	DDGD	
C[C@@H]1CCc2nc(C=NNC(=O)N3CCN(C)CC3)sc2C1	1324258872	SAHVKDVMUUJIEQ-LLVKDONJSA-N	321.450	1.559	50	20	DDGD	
O=C(NNc1ccccn1)[C@H]1CCCCN1Cc1ccncc1	1254245504	JDKFOBPHINLBIH-OAHLLOKOSA-N	311.389	1.974	50	20	DDGD	
Cc1ccc(C2=NO[C@@H](C(=O)NNC(=S)NC(C)C)C2)cc1	1332378286	AWWLXGFJPJFBLS-CYBMUJFWSA-N	320.418	1.392	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1ccc2nc(C)oc2c1	1338845717	VNNSLYBRGMZYGF-UHFFFAOYSA-N	312.351	1.039	50	20	DDGD	
CCC[C@H](O)CC(=O)NNC(=O)c1cncn1-c1ccccc1	1253462409	FNJBTYFHUWETEK-ZDUSSCGKSA-N	316.361	1.184	50	20	DDGD	
CCN(CC)CC[C@H](C)NC(=O)NNc1cncc(Cl)n1	1348612279	PGAXMKDLKWXHAI-JTQLQIEISA-N	314.821	1.877	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2CCCSC2)cc1	1261220470	OWQRBCTWSOHRBM-LLVKDONJSA-N	309.391	1.535	50	20	DDGD	
O=Cc1cncc(C(=O)NNc2ccc(C(=O)O)cc2F)c1	1609050115	JYQJBZKAGXRWKC-UHFFFAOYSA-N	303.249	1.488	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2COc3ccccc3O2)nc1	1602384243	DMPXDDAWYBPTLN-LBPRGKRZSA-N	315.285	1.063	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2ccc(-n3ccnn3)cc2)c1	1602450530	ZEFQUOCHQOZDGQ-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2nccc3cccnc23)nc1	1608905413	XZUDJAYMSWYPFI-UHFFFAOYSA-N	309.285	1.480	50	20	DDGD	
COC(=O)[C@@H](CCC(=O)O)NC(=O)C1CCC(Cl)CC1	1606505689	SOZRLCUZUGIUQN-UDNWOFFPSA-N	305.758	1.307	50	20	DDGD	
CC(C)C[C@H](CN)NC(=O)NNc1cccc(C(=O)O)c1F	1603769525	CYAMAMZIOUXKDU-SECBINFHSA-N	312.345	1.523	50	20	DDGD	
O=C(O)[C@H]1CCC[C@H](C(=O)NNc2nc3ccccc3[nH]2)C1	1608621910	DKZDBPAKPLUHIK-UWVGGRQHSA-N	302.334	1.897	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C23CC(C(=O)O)(C2)C3)cc1	1607274078	GHHGVUSUASSYGG-UHFFFAOYSA-N	319.317	1.103	50	20	DDGD	
CCCc1n[nH]cc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	1604239412	DFAXSWYHBNNDHC-UHFFFAOYSA-N	312.337	1.299	50	20	DDGD	
CCNC(=O)N(C)N=Cc1c(F)cc(-c2nn[nH]n2)cc1F	1604353484	KYAJLZRTBKSSHV-UHFFFAOYSA-N	309.280	1.140	50	20	DDGD	
O=C(CN1CCc2ccccc21)NNc1ccc(C(=O)O)cn1	1610664099	RJWLOKBQTNUMPY-UHFFFAOYSA-N	312.329	1.286	50	20	DDGD	
COc1ccccc1C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549314172	HPKIQBCMQXQPGI-ZFWWWQNUSA-N	303.362	1.009	50	20	DDGD	
CCOCc1nc(C)cc(NNC(=O)[C@@H]2C[C@H]3CC[C@H]2NC3)n1	1578126762	BZXMADOKDKOBPZ-JHJVBQTASA-N	319.409	1.153	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@@]12CCCC[C@@H]1NCC2	1579796349	AOWDDFIHPLIULN-MAUKXSAKSA-N	315.417	1.607	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)CCc1c(N)cnn1C	1579646428	DSYAIOCLZSQHBU-UHFFFAOYSA-N	324.388	1.935	50	20	DDGD	
C=C(CBr)CN1CC[C@@H](C(=O)O)C[C@H]1C(=O)OC	1588605714	OFCDFBVRXNBFSX-ZJUUUORDSA-N	320.183	1.276	50	20	DDGD	
C=C[C@@H](NNC(=O)c1cc(C)n(-c2ccccc2)c1C)C(=O)O	1588701724	XSLLPRIUAFPZTJ-OAHLLOKOSA-N	313.357	1.968	50	20	DDGD	
CCC(CC)(C(=O)O)C(=O)NNC(=O)c1cccc(Cl)n1	1589476008	OUVKMZLGUMZPRT-UHFFFAOYSA-N	313.741	1.387	50	20	DDGD	
CC(C)(F)C(=O)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846387282	DXDRMMVXPMGMEA-UHFFFAOYSA-N	311.184	1.742	50	20	DDGD	
CON1CCC(CC(=O)NNc2cccc(C(=O)O)c2C)CC1	1599318493	LRJVGPCSOPYMKI-UHFFFAOYSA-N	321.377	1.800	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cc(Cl)c(F)c(C(=O)O)c1	1590938619	HVOYFIZXRCZRHX-UHFFFAOYSA-N	317.704	1.986	50	20	DDGD	
CSSCCN1C(=O)[C@@H]2CC[C@@H](C(=O)O)CN2C1=O	1599804389	LTSBREMPEPGSGX-SFYZADRCSA-N	304.393	1.125	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccsc2C(=O)O)n1	1599394159	CUTBHFXTSUZMPX-UHFFFAOYSA-N	308.319	1.310	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NN=Cc1c(C)ccc(OC)c1C(=O)O	1776102076	GMMNYAZXXMJANE-GWCFXTLKSA-N	320.345	1.577	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NN=Cc1cc(C(=O)O)cs1	1776098665	SWEVNFYETFXSSE-LLVKDONJSA-N	309.391	1.769	50	20	DDGD	
CC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)CCl	1792881242	YXOPACYMHMJDRU-ZSBIGDGJSA-N	314.813	1.479	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1	15386788	KVOMRYOXDHQZLD-MRVPVSSYSA-N	315.167	1.774	50	20	DDGD	
COC[C@H](C)NC(=S)NNC(=O)c1cc(Cl)ccc1O	18146390	IWSHLXHDQGAMDK-ZETCQYMHSA-N	317.798	1.189	50	20	DDGD	
O=C(NNc1ncccn1)Nc1cnn(-c2ccccc2F)c1	162241104	HXFYYSLFLJJINZ-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@H]2OCCc3ccccc32)cc1	158288290	SLTQAKQCRMCTDU-INIZCTEOSA-N	321.336	1.633	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cc1	151199447	XBOMZKLTVYLITD-UHFFFAOYSA-N	300.274	1.451	50	20	DDGD	
C[C@@H](Cc1ccccc1Cl)C(=O)NNc1nccn(C)c1=O	152099661	SMSKJPLZVDGMEI-JTQLQIEISA-N	320.780	1.756	50	20	DDGD	
O=C(NNc1ccccc1F)[C@@H]1CC(=O)N(CC(F)(F)F)C1	153328886	URPLATZIGXMTAL-MRVPVSSYSA-N	319.258	1.680	50	20	DDGD	
CN(CC(=O)NNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCSC1	156422593	CJGWAHXBSNMDEO-GFCCVEGCSA-N	310.379	1.475	50	20	DDGD	
C[C@H](Cc1ccccc1F)C(=O)NNC(=O)c1ccncc1	154590395	RBFVCYSMIYYXDP-LLVKDONJSA-N	301.321	1.861	50	20	DDGD	
Cn1cnc2cc(CNS(=O)(=O)CBr)ccc21	921040319	FERSZVWNPHUDIM-UHFFFAOYSA-N	318.196	1.345	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1	7405205	ZHVAWPRZKJAPTQ-UHFFFAOYSA-N	316.688	1.688	50	20	DDGD	
COCc1ccccc1CNC(=O)NNC(=O)c1ccc(C)o1	177263467	ANFMYYGSALQINK-UHFFFAOYSA-N	317.345	1.879	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2sccc2C)c1O	54163644	MATKNBVIGPCHKC-UHFFFAOYSA-N	306.343	1.846	50	20	DDGD	
CO[C@H](C)C(=O)NNC(=O)c1cc(-c2cc(C)ccc2C)n[nH]1	178006833	BZBKEHQEPQNSDT-LLVKDONJSA-N	316.361	1.489	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)C(=O)c1ccc(Cl)cc1	171251780	PMURLZHFXDKHJR-UHFFFAOYSA-N	302.717	1.984	50	20	DDGD	
COc1ncnc(OC)c1C(=O)NNc1cccc(Cl)c1	171953780	UZSFWJIFLKQWMH-UHFFFAOYSA-N	308.725	1.904	50	20	DDGD	
CN(C)CC(=O)NNC(=O)COc1cc(Cl)ccc1Cl	170796618	RZAARLIQWIACGM-UHFFFAOYSA-N	320.176	1.081	50	20	DDGD	
Cc1ccc(CCNC(=O)NNc2ccc(Cl)nn2)cn1	111517004	XHVZCRFNSKLJFZ-UHFFFAOYSA-N	306.757	1.702	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cccc(-c2nnnn2CC)c1	178968101	RIOZNBVXNVGWPY-ZRDIBKRKSA-N	312.333	1.742	50	20	DDGD	
COCc1ccccc1CNC(=O)NNC(=O)c1ccc[nH]1	125951032	LTZZTOPIJBUPNL-UHFFFAOYSA-N	302.334	1.305	50	20	DDGD	
CCCC[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)C(=O)N1CCCC1	69882470	ZGJZVZIJYYSFCE-OLZOCXBDSA-N	324.425	1.298	50	20	DDGD	
O=C(NNc1cnccn1)[C@H]1CCCN(CC(F)(F)F)C1	172263935	GOBQDQHQIHWSQQ-VIFPVBQESA-N	303.288	1.194	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)c2ccon2)cc1OC	67286922	IBOCFOSVTUIAKU-UHFFFAOYSA-N	319.317	1.547	50	20	DDGD	
C[C@H](OC[C@@H]1CCCCO1)C(=O)NNC(=O)c1ccccc1O	66896956	VDVTUKLIVSTXIA-RYUDHWBXSA-N	322.361	1.127	50	20	DDGD	
CC(C)CONC(=O)NNC(=O)Cc1nc2ccccc2n1C	120899830	GUPWANLHIYUHJF-UHFFFAOYSA-N	319.365	1.034	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)NC(=O)c2cccs2)nc(C)n1	128586450	FYXKFWGZYAMYTK-VIFPVBQESA-N	319.390	1.417	50	20	DDGD	
COc1cc(C2(C(=O)NN(C)C(N)=O)CCCC2)ccc1C	182644373	MGIQAGOBGHSJCO-UHFFFAOYSA-N	305.378	1.857	50	20	DDGD	
Cc1ccnc(O)c1C(=O)NNC(=O)c1cccc2ncccc12	181051556	SCKGHICUBBJCCD-UHFFFAOYSA-N	322.324	1.719	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)c1cccnc1	184522213	HCFNBNOPALNSTH-OCCSQVGLSA-N	305.378	1.828	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)[nH]n1	122460747	RTGQYOLWYSAQMI-UHFFFAOYSA-N	311.345	1.457	50	20	DDGD	
O=C(NC[C@@H]1CCN(C2CC2)C1)NNc1ccc(Cl)nn1	121139768	GTHFNZAFKVPXGQ-VIFPVBQESA-N	310.789	1.240	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2occc2C)nc1C	182728510	HKKMMIUQRDKEQS-UHFFFAOYSA-N	304.306	1.620	50	20	DDGD	
O=C(NCc1ccccc1Cn1cccn1)NNc1cccnn1	77335678	OPZKCVKFSCLZJS-UHFFFAOYSA-N	323.360	1.548	50	20	DDGD	
Cc1cc2c(cc1C)O[C@@H](C(=O)NNC(=O)c1cccn1C)C2	79327735	HCTPVWFHQKRAJS-OAHLLOKOSA-N	313.357	1.407	50	20	DDGD	
CN(CCNC(=O)NNc1cncc(Cl)n1)c1ccccc1	121603175	HUUPGHSGYYKXAX-UHFFFAOYSA-N	320.784	1.893	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)c2ccccc2F)C1	73397874	XSWPHGYITVXJGI-WDEREUQCSA-N	322.336	1.566	50	20	DDGD	
CNS(=O)(=O)[C@H]1CCCN(/C(=C/C#N)c2ccc(F)cc2)C1	79322597	LSOSJHYVVXKHTP-GFKDLEGOSA-N	323.393	1.704	50	20	DDGD	
C=CCCC[C@@H](C)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1	181099900	RAWVNWFVGLDGRX-DGCLKSJQSA-N	303.428	1.112	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCC[C@@H](N(C)C)C2)o1	84455751	IWSVDJFFGPTGFQ-VXGBXAGGSA-N	308.382	1.405	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1ncc(Cl)cc1Cl)C(C)C	132433337	NMNMBJYIFATSIH-SNVBAGLBSA-N	319.192	1.992	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCCc3[nH]ncc32)s1	134731482	PFWSHUNMXIWPFO-VIFPVBQESA-N	304.375	1.661	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@@H]1[C@H]2CCc3ccccc3[C@H]21	130525714	BPYVKEMBEUUKBY-BYNSBNAKSA-N	315.373	1.224	50	20	DDGD	
COc1ccc(CCC(=O)NNC(C)=O)cc1Br	44596977	OTSMONPUGISTDY-UHFFFAOYSA-N	315.167	1.558	50	20	DDGD	
O=C(CCOC1CCOCC1)NNc1c(F)cccc1F	84632084	HHWDCXZFLBXTTE-UHFFFAOYSA-N	300.305	1.994	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNc1cc(C#N)cc(Cl)n1	93295388	RWXFVFNWIYWOFG-UHFFFAOYSA-N	309.757	1.212	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1ccc(Cn2cccn2)cc1	255855674	NRYUVQLVDUGWBX-VBKFSLOCSA-N	310.357	1.992	50	20	DDGD	
CC1CCN(c2ccc(C(=O)NNC(=O)NC(C)C)cn2)CC1	263895131	WCXBVGWCPAVOCZ-UHFFFAOYSA-N	319.409	1.670	50	20	DDGD	
C[C@@H](CN1CCCC1=O)NC(=O)NNc1ccc(Cl)nc1	266759125	OWDICGIAOUFVJY-VIFPVBQESA-N	311.773	1.372	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C	265655824	YNZUKIJLAXAAMV-WNDFPBNNSA-N	323.418	1.191	50	20	DDGD	
CN(CCCNC(=S)NNC(=O)CC1CC1)c1ccccc1	263643872	DPBIPNXASXEQFH-UHFFFAOYSA-N	320.462	1.808	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1nc(O)c2ccccc2n1	268197560	OCIJRJGFRVTUDV-SNVBAGLBSA-N	320.349	1.220	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1nc(O)c2ccccc2n1	268197557	OCIJRJGFRVTUDV-JTQLQIEISA-N	320.349	1.220	50	20	DDGD	
O=C(NNc1nnc(C2CC2)s1)[C@@H]1COc2ccccc2O1	273575203	KJYZAMCCBFUXMO-NSHDSACASA-N	318.358	1.699	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](CO)C[C@H](O)c1ccccc1	271283575	ARXMJHBXYKLBTN-URQVRESPSA-N	304.346	1.031	50	20	DDGD	
Cc1noc(C)c1C[C@H](C)NS(=O)(=O)CBr	272753415	AUYAWWGKLUBFQH-LURJTMIESA-N	311.201	1.494	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccccc1OCC(C)C	274157393	DSRJWIRTKNWBHX-UHFFFAOYSA-N	309.322	1.047	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H]2CC[C@H](CC)O2)nc1C	272146484	FMOCDBHVQVFBJF-JQWIXIFHSA-N	322.365	1.362	50	20	DDGD	
C[C@H]1C(=O)NCCCN1C(=O)[C@@H](Br)C(C)(C)C	365091451	UQMPAELYNAATLZ-DTWKUNHWSA-N	305.216	1.533	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CCCC(C)(C)C2)n1	276778538	PFGZTVPGCFLODP-CYBMUJFWSA-N	321.425	1.799	50	20	DDGD	
CC(C)(CCCO)CNC(=O)NNc1nc2ccccn2n1	276848615	IVAQTIWODYNVAS-UHFFFAOYSA-N	306.370	1.154	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnc2c(cnn2C(C)C)c1	272659202	HBDSYZBHIVSUJB-UHFFFAOYSA-N	304.354	1.318	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)c1ccnc(N2CCCC2)n1	272410404	DAHNAGKEULHFHS-UHFFFAOYSA-N	318.768	1.882	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C2(C)COC2)cc1	272757811	OIQJQMNODRVNPC-NSHDSACASA-N	322.361	1.037	50	20	DDGD	
COCCCOc1ccc(C(=O)NNc2cccc(F)n2)cn1	286552780	JWNXQGPJYDTHKZ-UHFFFAOYSA-N	320.324	1.788	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CCN(C)C(=O)OC(C)(C)C)n1	285652887	YKEHUCDFSLRMNA-UHFFFAOYSA-N	323.397	1.794	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1ccc([N+](=O)[O-])cc1C	288861861	XLJOILRMGKUXSW-NSHDSACASA-N	311.338	1.788	50	20	DDGD	
CSCC(C)(C)C(=O)NNc1nc(-c2ccncc2)no1	282147792	KYWPIAHZRHNEEC-UHFFFAOYSA-N	307.379	1.964	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2O[C@H](C)C[C@H]2C)c(C)c1	282213422	RUUNGSVDPWKINJ-XJKCOSOUSA-N	319.405	1.676	50	20	DDGD	
CCc1nc(C)c(C(=O)NNc2ccc(C(=O)OC)cn2)o1	293612477	YOBXBCNZGJDRPB-UHFFFAOYSA-N	304.306	1.484	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cnc(-c2ccncc2)s1	292037644	ACVGJRBLWBYMAE-JTQLQIEISA-N	318.358	1.145	50	20	DDGD	
CC(C)O[C@@H](C(=O)NNC(=O)c1cccn1C)c1ccccc1	292127862	CNLGXSOYQUTFDK-OAHLLOKOSA-N	315.373	1.952	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCc1ncc(C(C)(C)C)o1	801617450	OCFLULOUAYJLAR-UHFFFAOYSA-N	319.365	1.397	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)Cn1cc([N+](=O)[O-])cn1	805384295	JKNMBLJRHOSGGL-UHFFFAOYSA-N	320.265	1.151	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(Br)cc1OC	294527909	UZYNDRVQDOIFLJ-UHFFFAOYSA-N	317.183	1.681	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H]1C[C@]12CCc1ccccc12	802025729	DXEZQHGNEDUOAQ-YJBOKZPZSA-N	322.368	1.560	50	20	DDGD	
Cc1cc(C(F)(F)F)nn1CC(=O)NNC(=O)C1CCC1	290835536	PUSHXIYUXRKKCF-UHFFFAOYSA-N	304.272	1.158	50	20	DDGD	
CNC(=O)c1ccc(/C=C/C(=O)NNC(=O)CC2CC2)cc1	294168337	NMQGFHMHXNJRSS-RMKNXTFCSA-N	301.346	1.007	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)c1ccccc1	297755855	SSVFURXDXNSKMR-YUTCNCBUSA-N	321.377	1.272	50	20	DDGD	
O=C(COCc1cccnc1)NNC(=O)Cc1ccccc1F	805181399	LURSBJBUBSJUCN-UHFFFAOYSA-N	317.320	1.127	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)Nc1ccc2c(c1)OCO2)N(C)C	802094996	MOCVAUNKEYXDLK-CYBMUJFWSA-N	322.365	1.154	50	20	DDGD	
CN(NC(=O)COc1ccccc1C#N)C(=O)OC(C)(C)C	297580806	HUKGCNRGRHLGLD-UHFFFAOYSA-N	305.334	1.835	50	20	DDGD	
COc1ccnc(NNC(=O)NC2CCN(C3CCC3)CC2)n1	297606729	SMFIUQCWPPQFHX-UHFFFAOYSA-N	320.397	1.128	50	20	DDGD	
CO[C@@H](CS(=O)(=O)NNC(=O)CC(C)C)c1ccccc1	294909328	BHHFBYZBVPOQDN-ZDUSSCGKSA-N	314.407	1.371	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)c1	807036070	RQOBWGMXAZYHQF-SECBINFHSA-N	316.283	1.386	50	20	DDGD	
CC(C)(C)n1cnc(C(=O)NNC(=O)c2cccc(Cl)c2)n1	291015965	VPBJEZSMVRGTHV-UHFFFAOYSA-N	321.768	1.761	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)c2ccc(OC)c(OC)c2)C1	805156860	FFBAYJWKEHCVOV-UHFFFAOYSA-N	322.361	1.280	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(OCC(F)(F)F)cc1	299381291	OATKWSVIQZGJFW-UHFFFAOYSA-N	305.256	1.544	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccoc1Br	295362527	JIIQOZVJBFQHKB-QMMMGPOBSA-N	317.139	1.372	50	20	DDGD	
Cc1csc(=O)n1CCC(=O)NNc1ncc(F)cc1F	297003923	RBMSPQFECFSLEN-UHFFFAOYSA-N	314.317	1.425	50	20	DDGD	
CC(=O)Nc1ccc(CNC(=O)NNc2ncccc2F)cn1	805387338	CVUZXUJCPCMUEC-UHFFFAOYSA-N	318.312	1.400	50	20	DDGD	
Cc1ccccc1[C@H](CC(=O)NNC(=O)CC1CC1)NC(N)=O	294150212	MJGZGIQJFGWPNG-ZDUSSCGKSA-N	318.377	1.042	50	20	DDGD	
Cc1c(C(=O)NNC(=O)N=c2cc[nH]cc2)cnn1C(C)C	802036640	YOAYJNYNDDLCAI-UHFFFAOYSA-N	302.338	1.056	50	20	DDGD	
Cn1nc([C@H]2CCCO2)cc1NC(=O)NNc1cccc(F)n1	806494682	UQNAXHMTJZOBTL-SNVBAGLBSA-N	320.328	1.954	50	20	DDGD	
CSc1ccc(C)c(C(=O)NNC(=O)C(=O)NC(C)C)c1	298154982	ZXHRBJGIEWELTG-UHFFFAOYSA-N	309.391	1.003	50	20	DDGD	
Cc1ccc(NCC(=O)NN=C2CCCc3nc(N)ncc32)cc1	814712216	NJDIHHNFNPISPF-UHFFFAOYSA-N	324.388	1.636	50	20	DDGD	
CC(=NNC(=O)C(N)=O)c1sc(-c2ccccc2F)nc1C	814696490	HSFZIBOMPPOBIS-UHFFFAOYSA-N	320.349	1.583	50	20	DDGD	
CC(=O)Nc1ccc(NC(=O)NNc2ncncc2F)cc1	814515995	QOPJOAFVVDFSKV-UHFFFAOYSA-N	304.285	1.723	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)CN1CCOCC1=O	812768101	FKKGBNQZMLWMNK-UHFFFAOYSA-N	305.378	1.420	50	20	DDGD	
O=C(NN=C1CNC(=O)c2ccccc21)NC1CCCCC1	817322322	SIUCZNLZEVCMOA-UHFFFAOYSA-N	300.362	1.766	50	20	DDGD	
Cc1ccc(-c2nnc(S)n2CC(=O)NN(C)C2CC2)cc1	819645479	KUHUFZDPOSQHGO-UHFFFAOYSA-N	317.418	1.668	50	20	DDGD	
CSSCCNC(=O)N1C[C@H](C)S(=O)(=O)[C@@H](C)C1	811916033	NHDSPBYUYJLCFO-IUCAKERBSA-N	312.482	1.215	50	20	DDGD	
CC(=O)N[C@H](CC(=O)NNC(=O)CC1CC1)c1cccs1	819135959	HVILFZPQFBWVFD-LLVKDONJSA-N	309.391	1.263	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1nsc2ccc(C)cc12	814717869	CGXYQYJUKMLPKD-UHFFFAOYSA-N	306.416	1.900	50	20	DDGD	
O=C(CCCc1ccccc1)NN=C1CCN(CCO)CC1	819807927	NHLDSGOWYXAIDX-UHFFFAOYSA-N	303.406	1.570	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)c1cnn2c1OCCC2	815827724	LOQCRPUURFXVMB-UHFFFAOYSA-N	316.346	1.427	50	20	DDGD	
O=C(Cc1cccnc1Br)NNC(=O)CC1CC1	819131957	RYXFEYPPVKWLCL-UHFFFAOYSA-N	312.167	1.334	50	20	DDGD	
CC(C)C[C@H](CNC(=O)NNC(=O)CC(F)(F)F)C(=O)O	818624319	RUFJXUABXXCGSQ-SSDOTTSWSA-N	313.276	1.016	50	20	DDGD	
O=C(NNc1cnccn1)C1CCC(OC[C@H]2CCCO2)CC1	816173787	UIPJZPGJNYJDCK-JXQTWKCFSA-N	320.393	1.674	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)nc1	728857003	UNFDTEWDNKMPAS-UHFFFAOYSA-N	313.744	1.720	50	20	DDGD	
Cc1nnc(CC(=O)NNc2ncc(Cl)cc2Cl)o1	813523957	KDZWZEVLJRPWOQ-UHFFFAOYSA-N	302.121	1.766	50	20	DDGD	
Cc1ccc(C)c(NC(=O)C(=O)NNc2ncncc2F)c1	815763881	GCTFQPOFNCNFHU-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
C[C@@H]1CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)[C@H](C)C1	823509148	HSEJNCMWYIJVNE-CHWSQXEVSA-N	314.389	1.440	50	20	DDGD	
O=C(Cc1ccccn1)NN=Cc1cc(-c2nn[nH]n2)cs1	823114815	GHTKIJYPEALRIE-UHFFFAOYSA-N	313.346	1.016	50	20	DDGD	
Cc1ccc([C@H](C)NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	825681794	NSEJSTIYUZYAMU-SGMGOOAPSA-N	305.378	1.811	50	20	DDGD	
CCCc1nnc(NC(=O)/C(C#N)=C/c2cnn(C)c2)s1	491085956	SMIHESZFEXGBSA-BJMVGYQFSA-N	302.363	1.770	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)NN=c1sc2ccccc2n1C	726749660	GQVWXBSNUKRXRK-UHFFFAOYSA-N	306.391	1.086	50	20	DDGD	
COC(=O)NNC(=O)[C@H](C)Sc1ccc(NC(C)=O)cc1	495449626	XYSGWUZBUPRLLU-QMMMGPOBSA-N	311.363	1.513	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1ccc(C(=O)O)cc1	828863204	XMONOYWRYVWTQN-UHFFFAOYSA-N	319.361	1.530	50	20	DDGD	
Cc1ccccc1CC(=O)NN=Cc1ccccc1-c1nn[nH]n1	826306894	PDJMAEQHQOQEKU-UHFFFAOYSA-N	320.356	1.868	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@]1(c2ccccc2)CCCO1	823475637	QRVCSJHHLSVNHM-JDFRZJQESA-N	318.373	1.265	50	20	DDGD	
CCOc1nc(C(F)(F)F)ccc1C(=O)NN(C)[C@H](C)CO	823928241	LRCRFNJSZLOQBD-MRVPVSSYSA-N	321.299	1.457	50	20	DDGD	
CC(C)(C(=O)NNC(=O)/C=C/[C@@H]1CCOC1)c1ccccc1	493787893	MKNMYVMLKXUVAH-MMQHEFTJSA-N	302.374	1.704	50	20	DDGD	
N#C/C(=C\c1cnccn1)C(=O)NCc1ccc(F)cc1F	490969104	CZRYFJXPEHCILQ-VZUCSPMQSA-N	300.268	1.978	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H]1CCn2ccnc2C1	491175565	LMLHSVZLIYPDFX-RNQWEJQRSA-N	308.341	1.627	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNC(=O)c2cn(C)c3ccccc23)CCN1C	823854983	AABKMVIBWMHALA-VXGBXAGGSA-N	314.389	1.280	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)C2CCCC2)CC2(CCCC2)O1	826624435	VIRZWPFKIWRBKL-GFCCVEGCSA-N	309.410	1.951	50	20	DDGD	
CCCN(NC(=O)c1cc(OC)n(C)n1)C(=O)OC(C)(C)C	495765425	WHVSAMPWVLQORV-UHFFFAOYSA-N	312.370	1.721	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2cc3c(s2)CCC3)CO1	827606593	MLSOGZUPFZVPLM-WPRPVWTQSA-N	309.391	1.358	50	20	DDGD	
Cc1nc(CCCC(=O)Nc2cccc(B(O)O)c2)cs1	584911141	IEZQANOYMFNARQ-UHFFFAOYSA-N	304.180	1.093	50	20	DDGD	
CSCCNC(=O)NNC(=O)Cc1c[nH]c2ccccc12	726279624	VPXLLUWOURVONX-UHFFFAOYSA-N	306.391	1.404	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)OC	495407539	LEFUEAUSBRXUSJ-IUCAKERBSA-N	303.359	1.313	50	20	DDGD	
CS[C@H](c1nc(-c2cccc(B(O)O)c2)no1)C(C)(C)C	585054625	YSWZFCFIKJSFSC-LLVKDONJSA-N	306.196	1.867	50	20	DDGD	
Cc1cc(C(=O)NCB(O)O)c(C)n1[C@H](C)c1ccccc1	585061010	NXBGZTOVZUMOOO-GFCCVEGCSA-N	300.167	1.456	50	20	DDGD	
O=C(NNC(=O)c1cccc2c1OCC2)OCC(F)(F)F	825520327	VQEXMDJYEKHBRV-UHFFFAOYSA-N	304.224	1.555	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)oc1C	494539351	NEIYGLGQWWNMMH-UHFFFAOYSA-N	311.338	1.182	50	20	DDGD	
C[C@@]1(C(=O)N2CCOC3(CCOCC3)C2)C[C@@H]1Br	907058166	VNKOSEAPDJEJCP-CMPLNLGQSA-N	318.211	1.568	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@H]2CC23CCOCC3)cc(C#N)n1C	491086863	VLSZSAUVEKKIFS-VFXTVZEFSA-N	324.384	1.797	50	20	DDGD	
CCc1cc(C(=O)NNc2cccc(C(=O)OC)c2)n(C)n1	821798303	YVRIWIBJWKRQAL-UHFFFAOYSA-N	302.334	1.526	50	20	DDGD	
C[C@H](NC(=O)[C@]1(C)C[C@H]1Br)c1nnnn1C1CC1	907712442	HGZSDKLULBHJLK-FMTFEUNWSA-N	314.187	1.359	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1ccc(OC(C)C)cc1	494487430	UYAKMWHVJFWKIJ-UHFFFAOYSA-N	302.352	1.413	50	20	DDGD	
CNc1nc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cs1	826090234	DJPLPIWSJHEHTC-UHFFFAOYSA-N	316.350	1.122	50	20	DDGD	
CO[C@H](C)C(C)=NNC(=O)NCCNC(=O)OC(C)(C)C	493423660	FBEPWWQXCPRNLL-SNVBAGLBSA-N	302.375	1.221	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)c2cnc(C)[nH]2)cc1	732266697	IKMFZUVFJQYBCI-UHFFFAOYSA-N	319.390	1.748	50	20	DDGD	
O=C(NCB(O)O)c1cc2cc(Br)ccc2s1	585063340	YEKHKZKCUFTYIU-UHFFFAOYSA-N	313.969	1.406	50	20	DDGD	
CN(C)C(=O)c1cccc(C=NNC(=O)C2CCOCC2)c1	901275883	BVMFRETZRKZXBB-UHFFFAOYSA-N	303.362	1.265	50	20	DDGD	
O=C(/C=C\[C@@H]1CCOC1)NNC(=O)NCCc1cccs1	493788030	LKVWQRVMVYNRNL-DLRQAJBASA-N	309.391	1.214	50	20	DDGD	
C[C@@H]1Sc2ccc(C(=O)NNc3cnccn3)cc2NC1=O	734245500	IXONYCINKQVOBF-QMMMGPOBSA-N	315.358	1.666	50	20	DDGD	
CCOc1cc(Cl)ccc1CNCc1ccc(B(O)O)o1	585029624	HYRVCHMNTJISEL-UHFFFAOYSA-N	309.558	1.301	50	20	DDGD	
CC[C@@H](C)OCc1ccc(NCc2ccc(B(O)O)o2)cc1	585013604	XUXKLLHIODHWKA-GFCCVEGCSA-N	303.167	1.887	50	20	DDGD	
CC(Cn1cccn1)=NNC(=O)NCCNC(=O)OC(C)(C)C	495784379	FTWPWUINPHZRJW-UHFFFAOYSA-N	324.385	1.083	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2cc(O)cs2)c1	732264695	INCHNZQWXOFDMH-UHFFFAOYSA-N	322.342	1.546	50	20	DDGD	
CSc1ccccc1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	831063076	SZLFLFHIHSVDDZ-NXEZZACHSA-N	309.391	1.986	50	20	DDGD	
Cc1cc(NNC(=O)C2(C(N)=O)CC2)ccc1Br	734251284	LDDUVNZYWAUSAY-UHFFFAOYSA-N	312.167	1.466	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1ccc(CO)o1	739400341	PWKQVJUTSKOHAD-UHFFFAOYSA-N	304.302	1.310	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2C[C@@H](C)n3ccnc32)n1	836626339	AMEZIZFURIHDOD-GHMZBOCLSA-N	301.354	1.622	50	20	DDGD	
CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)NNC(=O)C2CCCC2)C1	734221230	MOTJPCZFBWSSHH-OLZOCXBDSA-N	324.425	1.154	50	20	DDGD	
CCc1nc(CNC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)co1	836985944	KPQRVZFBJCEBFY-WLRTZDKTSA-N	323.356	1.979	50	20	DDGD	
CCCCC[C@@H](O)C(=O)NNc1nnc(-c2ccccn2)s1	830852546	UYCQTLRADFRPIH-LLVKDONJSA-N	321.406	1.984	50	20	DDGD	
O=C(O)COc1ccc(C(=O)NN=c2cc[nH]cc2Cl)cc1	833253549	JRQQGEPGEKQGIF-UHFFFAOYSA-N	321.720	1.377	50	20	DDGD	
O=C(NCC[C@H]1C[C@H]2CC[C@H]1C2)NNC(=O)[C@H]1CCCCO1	836271286	ZFHKDBNRIGLEFZ-XDQVBPFNSA-N	309.410	1.712	50	20	DDGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)O)CC1	833061388	AWCPRTRXWKTMIU-ACAGNQJTSA-N	302.290	1.755	50	20	DDGD	
Cc1cc(C)c(CNC(=O)NNC(=O)[C@@H]2CCCCO2)cn1	836657395	RWEZGKSYSRALRC-ZDUSSCGKSA-N	306.366	1.098	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CC[C@@H](c3cccc(F)c3)C2)cc1	585039090	NKDCIRSAXQYIGH-CRAIPNDOSA-N	313.181	1.931	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)c1cnn(-c2ccccc2)c1	733082470	VPPTVZKVIYPZON-LLVKDONJSA-N	317.418	1.780	50	20	DDGD	
O=C(NNC(=O)C1CN(C(=O)C2CCCCC2)C1)C1CCCC1	836356308	BAHXKAFCWBLUCI-UHFFFAOYSA-N	321.421	1.363	50	20	DDGD	
Cc1cccc(CC(=O)NNC(=O)COc2ccccc2O)c1	730778878	OSQDQNDTOCPHDV-UHFFFAOYSA-N	314.341	1.470	50	20	DDGD	
C[C@@H]1CCc2c(C(=O)NNC(=O)c3ncon3)csc2C1	832825935	MHFUQBKSBANTOJ-SSDOTTSWSA-N	306.347	1.331	50	20	DDGD	
COc1ccccc1[C@H](C)NCc1ccc(B(O)O)cc1F	585016317	MBIAAYKDSJAOHB-NSHDSACASA-N	303.142	1.365	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)COCc2ccccc2)no1	738460733	NUHSVUUWRKUBQU-UHFFFAOYSA-N	318.333	1.030	50	20	DDGD	
CC[C@@H](C)[C@@H](NC(=O)c1cccc(B(O)O)c1)C(F)(F)F	584982487	KYFRAKWVCGXURB-LDYMZIIASA-N	303.089	1.073	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCC2CC(F)(F)C2)n1	836686287	YJSQKIUJOKLQCH-UHFFFAOYSA-N	315.324	1.855	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H](C)Cc2cnn(C)c2)nc1	836632413	LUBCRVHDXCMLRS-SNVBAGLBSA-N	304.354	1.081	50	20	DDGD	
CC[S@](=O)c1ccccc1C(=O)NNC(=O)c1ccccn1	917505900	VPUXAMJBBBOBIO-QFIPXVFZSA-N	317.370	1.284	50	20	DDGD	
C[C@]1(C(=O)NNC(=S)NCC2CCC2)C[C@H]1Br	912110607	QCQKYIGXHNQYRY-KCJUWKMLSA-N	320.256	1.455	50	20	DDGD	
C[C@H]1CCC[C@@H](OCC(=O)NNc2ccc(C(=O)O)cn2)C1	833609786	SMABRKOAXTZVMQ-CMPLNLGQSA-N	307.350	1.818	50	20	DDGD	
CN(CC(=O)NNC(=O)C1CC1)[C@@H]1CCC[C@@H]1c1ccccc1	839175887	RXVXWTIJEOYLBO-HZPDHXFCSA-N	315.417	1.812	50	20	DDGD	
C[C@@H](C(=O)NCC(Cl)Cl)N1C(=O)NC2(CCCC2)C1=O	837648346	DQQNSWHEKJCRFG-ZETCQYMHSA-N	322.192	1.159	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCO2)NNC(=O)CC(F)(F)F	918363831	DHPUAYWAXWGTEJ-UHFFFAOYSA-N	302.252	1.264	50	20	DDGD	
O=C(NNc1cccc(F)c1)c1ccnc(N2CCCC2)n1	748091416	WWSREBVXKRUFGH-UHFFFAOYSA-N	301.325	1.973	50	20	DDGD	
O=C(NNc1ccncn1)[C@H]1CCO[C@H](c2ccccc2)O1	848164017	UMYWOCKXTXRDMB-DOMZBBRYSA-N	300.318	1.424	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(F)ccc1Cl	843660443	LGQFKQIOZFTKCB-VXNVDRBHSA-N	300.717	1.665	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)Nc2cnn(CC#N)c2)cc(C#N)n1C	747434785	RVWHFPAHGYYOAL-WLRTZDKTSA-N	319.328	1.471	50	20	DDGD	
O=C(NN=C[C@H]1CC=CCC1)C(=O)NN=C[C@H]1CC=CCC1	916266428	UQXIGTNZDICMJB-KBPBESRZSA-N	302.378	1.903	50	20	DDGD	
CC(C)(C)OC(=O)NC1(CC(=O)NNc2cnccn2)CCC1	746886781	RHDXWYMJVOVXHT-UHFFFAOYSA-N	321.381	1.757	50	20	DDGD	
O=C(NCCNC1CC1)NNC(=O)c1cc2ccccc2o1	841928155	LFPRGROCCIMXRV-UHFFFAOYSA-N	302.334	1.129	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)COC2CCOCC2)cc1	846375059	ZWIJIEZIMGEZIW-UHFFFAOYSA-N	322.361	1.041	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)NC[C@@H]2CCCN2)cc1	841937385	RFQXTURWFHZNDX-LBPRGKRZSA-N	322.434	1.170	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNc2cc(O)nc3ncccc23)[C@H]1C	913996223	MIJBKWJMDRDSQT-RZGXBDKHSA-N	316.361	1.838	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ncsc1Nc1ccccc1	910146011	BDIZHPWKPHKXJF-JTQLQIEISA-N	306.391	1.844	50	20	DDGD	
CCOC(=O)C[C@H](N/C=C(/C#N)C(=O)OCC)C(F)(F)F	849173887	AEABVIFJSVBPAU-FUOZMLNRSA-N	308.256	1.431	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1cccc(Br)c1	744817006	BWIZWSWEFZFYHT-UHFFFAOYSA-N	324.178	1.568	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1	910162716	IVRMHCXGTYHZDP-GFCCVEGCSA-N	321.421	1.420	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)[C@@H]2CCO[C@H]2C)c(OC)c1	842555014	NEQDVKDKGVUKKV-SMDDNHRTSA-N	306.362	1.969	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H](C)c2ccco2)cc1	741660960	PZZJUBRCUMIARX-GFCCVEGCSA-N	302.330	1.918	50	20	DDGD	
COc1cc(C(=O)NN=C2CCO[C@H]2C)cc(OC)c1OC	747744715	RMBKRWUGGXYLNZ-VIFPVBQESA-N	308.334	1.607	50	20	DDGD	
CS(=O)(=O)c1ccc(C=NNC(=O)c2cccnc2)cc1	918150668	DQPNGXSFJZNKRB-UHFFFAOYSA-N	303.343	1.249	50	20	DDGD	
C[C@@H](C(=O)NNc1c(F)cccc1Cl)[C@H](C)S(C)(=O)=O	841422527	OQJMNWAHAJRJFF-SFYZADRCSA-N	322.789	1.991	50	20	DDGD	
O=C(COc1ccc(Cl)cc1)NNC(=O)C1CCOCC1	917511841	PFCZGFNSAZAPSM-UHFFFAOYSA-N	312.753	1.293	50	20	DDGD	
Cc1ccc(/C=C(/C#N)C(=O)OCCN2CCOC2=O)cc1	913228227	DDBCUVZPMPIKNG-UVTDQMKNSA-N	300.314	1.897	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1ccc2c(c1)C(=O)CC2	848449296	HTTJOOPXMPEQBE-UHFFFAOYSA-N	310.375	1.171	50	20	DDGD	
O=C(N[C@@H]1CCCNC1)[C@@]12CC[C@@H](C[C@H]1Br)C2	846663443	JFIACWKSWHMAGL-SBFPOUOMSA-N	301.228	1.808	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccccc2F)CC1)c1ncccn1	841351017	ZKEGMPMATDGWOW-UHFFFAOYSA-N	314.320	1.400	50	20	DDGD	
O=C(NNc1cccnn1)c1ccnc(OCC(F)(F)F)c1	743461982	QSDRIWIBRVUUQL-UHFFFAOYSA-N	313.239	1.570	50	20	DDGD	
C[C@H](Cc1cnc[nH]1)C(=O)NNc1ccccc1S(C)(=O)=O	847588099	VCTOEDOLAWYEHB-SNVBAGLBSA-N	322.390	1.135	50	20	DDGD	
CN1CCc2ccc(NC(=O)NNC(=O)CC3CC3)cc2C1=O	757692701	PWOYGDIVKDUBSP-UHFFFAOYSA-N	316.361	1.268	50	20	DDGD	
C[S@](=O)CCN1CCN(/C(=C/C#N)c2ccc(F)cc2)CC1	755959764	UXOBKBZKNZQHDK-WHTMGKDVSA-N	321.421	1.686	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@@H]1CCC[C@@H]1Cc1ccccc1	755073169	YFJZOPUMYLDOPH-NUEKZKHPSA-N	317.433	1.933	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc2c(c1)CCN2C)C1CC1	855099749	MMNPGFHCSSKVOQ-JTQLQIEISA-N	318.446	1.586	50	20	DDGD	
CCC(=O)N1CC[C@H](NC(=O)NNc2ccc(C)c(F)c2)C1	853863391	QGDQMYCOBQAKDR-LBPRGKRZSA-N	308.357	1.771	50	20	DDGD	
CCn1cc(CNC(=O)NNc2ccc(F)cc2Cl)nn1	923262200	WTGHUECKHFSHBI-UHFFFAOYSA-N	312.736	1.917	50	20	DDGD	
CCCNC(=O)NNC(=O)CCc1ccccc1C(=O)OC	758746052	KAFUBQLXJJQRML-UHFFFAOYSA-N	307.350	1.146	50	20	DDGD	
C[C@]1(CNS(=O)(=O)c2cccc(N)c2)C[C@@H]1Br	856752406	IVXNHUZWYDCEOZ-WDEREUQCSA-N	319.224	1.721	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccccc1N1CCCCC1	755394677	SUKZCZDGTBTCJN-UHFFFAOYSA-N	306.366	1.476	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1Cl	858093064	QVVYKDWDYXDHJD-GZMMTYOYSA-N	324.768	1.010	50	20	DDGD	
O=C(CN1CC[C@@H]1Cc1ccccc1)NNC(=O)c1ccccc1	752316809	ZSMVVNBIWIXTED-QGZVFWFLSA-N	323.396	1.765	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1csc([C@H]2CCCO2)n1	756128151	XHULDLYSJZRJMG-SECBINFHSA-N	312.420	1.290	50	20	DDGD	
Cc1nn(C)cc1[C@H]1CCCN1C(=O)NNC(=O)C(C)(C)C	759315179	POHARSFHYPWSOE-GFCCVEGCSA-N	307.398	1.652	50	20	DDGD	
CN(C[C@@H]1COCCO1)C(=O)NC[C@]1(C)C[C@H]1Br	856894904	XHTXBOBOMHVTCI-FOGDFJRCSA-N	321.215	1.217	50	20	DDGD	
CCNC(=O)NNC(=O)C(C)(C)Oc1ccc(OCC)cc1	920858561	GVTDUCHJVDJZTH-UHFFFAOYSA-N	309.366	1.593	50	20	DDGD	
C[C@@H]1CCOCCN1C(=O)NC[C@@]1(C)C[C@@H]1Br	856903283	NJVPGDSFZYVOEC-JFGNBEQYSA-N	305.216	1.980	50	20	DDGD	
O=C(CN1CCCCCCC1=O)NNc1ncccc1[N+](=O)[O-]	759297142	CIFYCEOWKWZREK-UHFFFAOYSA-N	321.337	1.226	50	20	DDGD	
CCc1nnc(CNC(=O)NNc2ncc(Cl)cn2)s1	856906947	JEOLBDOHSIQWCJ-UHFFFAOYSA-N	313.774	1.370	50	20	DDGD	
Cc1ccc(NNC(=O)NCCC2(O)CCOCC2)cc1F	854058479	OANHJEDNCNBBBJ-UHFFFAOYSA-N	311.357	1.692	50	20	DDGD	
CCOC(=O)NNC(=O)CCCc1ccc2c(c1)OCCCO2	858112616	QSFQBDBRIIYZBC-UHFFFAOYSA-N	322.361	1.948	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1n[nH]c2c1CCCCC2)C1CC1	855099506	HMOJPHVFZKJFIJ-VIFPVBQESA-N	321.450	1.586	50	20	DDGD	
O=C(Cc1ccc2c(c1)OCO2)NNC(=O)OCC(F)(F)F	856024249	NTBUSESOXWIQTM-UHFFFAOYSA-N	320.223	1.278	50	20	DDGD	
CC[C@H](C(=O)NNC(=S)N[C@@H](C)C1CC1)N(CC)CC	855100892	LCBXSWZWMLIMRQ-CMPLNLGQSA-N	300.472	1.401	50	20	DDGD	
CC(C)(C)n1nnc(C=NNC(=O)c2c[nH]c3ccccc23)n1	853259972	YWJTUQGEPRVJIW-UHFFFAOYSA-N	311.349	1.673	50	20	DDGD	
CCOC(=O)N1CC[C@H](NC(=O)NNc2ccc(C)c(F)c2)C1	854002912	YUEKPEQBVNTUQL-LBPRGKRZSA-N	324.356	1.991	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccc(F)cc2)CC1)c1cn[nH]c1	862471127	RSORUPNOHFCJLH-UHFFFAOYSA-N	302.309	1.333	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccccc1C(C)(C)C	869907982	HKHPMGBKVORQNB-UHFFFAOYSA-N	308.378	1.408	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2ncnc3ccsc23)CCN1C	765822894	CWWCFEZMKXZLFU-VHSXEESVSA-N	320.422	1.800	50	20	DDGD	
Cc1c(C=NN(C)C(N)=O)c(=O)n2c([nH]c3ccccc32)c1C#N	767908816	FECYACSAEFTQPA-UHFFFAOYSA-N	322.328	1.305	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cc(F)c(N(C)C)cc1F	863176411	QDSJEMNWYFCMAH-WDZFZDKYSA-N	309.316	1.700	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1csc(-c2cnccn2)n1	760914089	AEVWQGOZVKLHBW-UHFFFAOYSA-N	317.309	1.286	50	20	DDGD	
Cc1cc(=NNC(=O)C(C)(C)CNC(=O)OC(C)(C)C)cc[nH]1	862512966	NFYNKPPAXVHEMG-UHFFFAOYSA-N	322.409	1.806	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)CNc2ccccc2)[C@H]1C	863853479	ZWTGFQVBNHLJSN-UUIJZJDISA-N	305.378	1.305	50	20	DDGD	
Cn1c(=NNC(=O)c2nc(C3CC3)no2)sc2ccccc21	865895188	GZJIEGRHEFRISD-UHFFFAOYSA-N	315.358	1.746	50	20	DDGD	
O=C(NNC(=O)c1cccc(C2OCCO2)c1)c1ccncc1	766750368	FXUAVUMEFQSGRN-UHFFFAOYSA-N	313.313	1.202	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC[C@@H]1C(=O)NC1CC1	866470848	BMSFTISEXGGNFT-LLVKDONJSA-N	322.858	1.324	50	20	DDGD	
CC1(C)CCC(=NNC(=O)CNC(=O)c2cccnc2)CC1	763199279	OSUBITJLHDFNHR-UHFFFAOYSA-N	302.378	1.884	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)N[C@@H]1C[C@H]1C(F)(F)F	868988397	DPNNQBLGHSMPDG-NXEZZACHSA-N	319.258	1.649	50	20	DDGD	
C[C@@H](NNC(=O)C[C@@H](NC(N)=O)c1cccs1)C(F)(F)F	862306348	JIDZFRWWVZGLPD-RNFRBKRXSA-N	324.328	1.419	50	20	DDGD	
O=C(Cc1ccc(F)cn1)NNCC(F)(F)C(F)(F)F	863098325	DHXPQVMXBYZNSC-UHFFFAOYSA-N	301.190	1.582	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1ncc2n1CCCC2	867422958	XTKGOIHIWFWLHP-UHFFFAOYSA-N	308.345	1.920	50	20	DDGD	
CC(C)c1ccc2cc(C(=O)NNC(=O)C(C)(C)O)[nH]c2c1	768259285	JIJQDFANSSKONA-UHFFFAOYSA-N	303.362	1.823	50	20	DDGD	
CCOC(=O)N[C@@H](C(=O)NNc1nc2ccccc2[nH]1)C(C)C	768501937	OFXVELVUEJCIEG-GFCCVEGCSA-N	319.365	1.777	50	20	DDGD	
Cc1cn2ccnc(C(=O)NNc3ccc(Cl)nn3)c2n1	762870475	HDKXIPFPEMOGSF-UHFFFAOYSA-N	303.713	1.238	50	20	DDGD	
O=C(NCc1cccnn1)NNC(=O)c1c[nH]c2ccccc12	767881596	OWHUKLUDIYXESX-UHFFFAOYSA-N	310.317	1.102	50	20	DDGD	
COc1cc(C)ccc1C(C)=NNC(=O)CN1CCCC1=O	767179456	BCJQHEKRICTTNT-UHFFFAOYSA-N	303.362	1.466	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)cc[nH]1	875434702	JKDMEDPDAGRVGI-JHJVBQTASA-N	324.475	1.818	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2ccc(C(=O)O)[nH]2)CC1	1116206727	HDJDYOZDUSVMSD-UHFFFAOYSA-N	306.366	1.285	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cc(-n2ccnc2)ccc1O	873991411	OBJZWWFPWWPEAN-UHFFFAOYSA-N	314.345	1.529	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(C(F)(F)F)cn1	879159854	XMHCSEXXRHYIOD-UHFFFAOYSA-N	306.244	1.290	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Cc2ccccc2CO)c1	779766260	KCBYCNBJMLZGQM-UHFFFAOYSA-N	309.325	1.054	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(O)cc1	771881750	OSYWYMWOXNEIML-JTQLQIEISA-N	308.334	1.131	50	20	DDGD	
Cc1ccc(NNC(=O)NCCCCC(=O)OC(C)(C)C)nn1	773759549	IDYJKOOZCYHCJM-UHFFFAOYSA-N	323.397	1.923	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N1C[C@H]2COC[C@H]2C1)c1ccccc1	872887466	VBXOFHFZGZBHMZ-BETUJISGSA-N	317.389	1.283	50	20	DDGD	
Cc1cc(OCC(=O)NNc2ccc(C(F)(F)F)cn2)no1	775249472	SMQRVUBRPVBVHV-UHFFFAOYSA-N	316.239	1.919	50	20	DDGD	
CC[C@H](CO)C(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1	779725592	UCVWPLSGLUTYAU-LLVKDONJSA-N	324.377	1.262	50	20	DDGD	
CC[C@H](CO)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	779723066	CIWLICKQHBBCMF-SNVBAGLBSA-N	310.419	1.797	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1)NC1CC1	874193947	KEYYOMVLUKEQGV-JTQLQIEISA-N	317.267	1.232	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C1CCC1)c1ccc(N(C)C)cc1	773627503	OJSYCZFTPJRDEZ-LLVKDONJSA-N	304.394	1.944	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccn(C(F)F)n2)nc1	775794069	VHWQWIFUNNGQKZ-UHFFFAOYSA-N	311.248	1.217	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	770749034	MJZKQWBHZXDUAS-HNNXBMFYSA-N	310.350	1.016	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc(CN2CCOC2=O)c1	878234790	YHKBEMZILIVEQR-UHFFFAOYSA-N	322.365	1.254	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)N1CCC(F)CC1	883479948	NCCMMLQQHALBHY-UHFFFAOYSA-N	318.352	1.816	50	20	DDGD	
C#CCOc1cccc(Cl)c1C=NNC(=O)C(=O)NC(C)C	777430344	RJJZZDXXGAMWPO-UHFFFAOYSA-N	321.764	1.327	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cnc(S)[nH]1	776317621	IMJFKPFVTMLWGM-ZETCQYMHSA-N	324.337	1.066	50	20	DDGD	
CCc1ccc([C@@H](C)CC(=O)NNC(=O)c2cccnn2)cc1	882058265	MVGSYCIAURQFKH-LBPRGKRZSA-N	312.373	1.994	50	20	DDGD	
COc1ccc(CSCC(=O)NNC(=O)C2CC2)c(OC)c1	882309169	SBRNXBXIBMDWAD-UHFFFAOYSA-N	324.402	1.494	50	20	DDGD	
CC(C)(C)OC(=O)NCCCCCC(=O)NNC(=O)C1CC1	780158069	FPSMDCMRZQBRCO-UHFFFAOYSA-N	313.398	1.629	50	20	DDGD	
CC(C)(O)C(=O)NN=C(Cc1ccccc1[N+](=O)[O-])C1CC1	785463587	XDNOYIUZSRDZND-UHFFFAOYSA-N	305.334	1.790	50	20	DDGD	
CCCCC[C@](C)(CC)C(=O)NNC(=O)C(=O)N1CCCC1	780526115	AIPATDUNDCFSRK-INIZCTEOSA-N	311.426	1.753	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCn2cc(C)cn2)c1	780795353	IXBUDTRDTMIAGA-UHFFFAOYSA-N	302.334	1.512	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1CCCCN1C(=O)CCC	887143024	ILCRMCQXNNVOKI-ZDUSSCGKSA-N	307.394	1.119	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C2(SC)CC2)c1	788696880	JRLYWOWMURXNCI-UHFFFAOYSA-N	310.375	1.360	50	20	DDGD	
CC(C)CN1CCC[C@H]1C(=O)NNC(=O)CCc1ccccc1	1120688156	VKLCKOSWUACSPA-INIZCTEOSA-N	317.433	1.887	50	20	DDGD	
CCSCCC=NNC(=O)c1ccc(-n2cnnn2)cc1	781121150	GHIXWYQKRQZZAX-UHFFFAOYSA-N	304.379	1.521	50	20	DDGD	
COc1ccc(Oc2ccc(C=NNC(=O)C(N)=O)cc2)cc1	783788811	YLCAVVWSAQAZSX-UHFFFAOYSA-N	313.313	1.423	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CSCc1ccccn1	899992244	SXUJHBTXOCYXJV-UHFFFAOYSA-N	312.464	1.609	50	20	DDGD	
CCNC(=O)NN=Cc1cccc(I)c1	789000379	ISTANXSPVYWIMS-UHFFFAOYSA-N	317.130	1.944	50	20	DDGD	
CCOc1ccc(C=NNC(=O)CN2CCCC2=O)cc1F	782168333	CKUZQMSSPKEJRW-UHFFFAOYSA-N	307.325	1.297	50	20	DDGD	
Cc1cccnc1C=NNC(=O)c1cc([N+](=O)[O-])ccc1O	781592952	OYYHJRWVZWDQOH-UHFFFAOYSA-N	300.274	1.768	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)c(C)c1)[C@@H]1CCCO1	783817078	RIKWKEZOMHKQEO-AWEZNQCLSA-N	303.362	1.913	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCCN1C(=O)COc2ccccc21	786671902	XOBLDSGIYMWHAQ-LCYFTJDESA-N	312.325	1.815	50	20	DDGD	
Cn1nc(C(=O)NNC(=S)NC(C)(C)C)c2c1CCCC2	899998386	MDTAWUCZJYSJJZ-UHFFFAOYSA-N	309.439	1.206	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)N[C@H]1CCCN(C)C1=O	799599130	SRLKZBVWTVGYMQ-ZDUSSCGKSA-N	304.394	1.804	50	20	DDGD	
C=C(CBr)CN1CCN(C(=O)[C@H]2CCCO2)CC1	791447981	YIHUDTROXKUSNY-GFCCVEGCSA-N	317.227	1.261	50	20	DDGD	
CC(=NNC(=O)c1ccccn1)c1ccccc1-n1ccnn1	794856372	JEWHIIIWTSUBAV-UHFFFAOYSA-N	306.329	1.816	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CC[C@H]2CCCCO2)cc1	1318660077	POQBKGSCUQCKNC-CQSZACIVSA-N	306.362	1.806	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1cnoc1C1CC1	1319339767	AYNSCGDMZHFOHD-UHFFFAOYSA-N	312.289	1.754	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)C(=O)Nc1ccc(F)nc1	1324746744	VIADRNGKEYPNGI-UHFFFAOYSA-N	318.312	1.216	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCC(=O)OC(C)(C)C)cc1	1320773863	YHHBKBFZQQQPRX-UHFFFAOYSA-N	322.361	1.578	50	20	DDGD	
C[C@@H](NNC(=O)c1cncc(OCC(F)F)c1)C(F)(F)F	1329523169	VLWNTQKGAHSZPE-ZCFIWIBFSA-N	313.226	1.911	50	20	DDGD	
CC(C)OCCCNC(=O)/C(C#N)=C/c1cccnc1N(C)C	1323088825	UGIRZSXAZBAKSO-RVDMUPIBSA-N	316.405	1.986	50	20	DDGD	
CN(CC(C)(C)C)C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1334702583	LAJIVJAVQDFEHE-ZANVPECISA-N	319.243	1.781	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCC[C@@H]2OC)c1F	1262628271	PTUFLOGMOWMPEA-CABZTGNLSA-N	310.325	1.871	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)NC2CCCC2)cc1C(F)(F)F	1346370082	YLSVDBLEROVVCA-UHFFFAOYSA-N	319.287	1.326	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)c2ccccc2Cl)COC1	1344568002	PVKCQVIALDHUOA-UHFFFAOYSA-N	311.769	1.711	50	20	DDGD	
O=C(CN1CC2CCC1CC2)NNC(=O)c1ccc(F)cc1	1348449477	IZESVJLVVWIUMY-UHFFFAOYSA-N	305.353	1.461	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2occ(C)c2C)c1	1342193803	YCVMRIRQUVYSLP-UHFFFAOYSA-N	317.345	1.778	50	20	DDGD	
C[C@@H]1CCCN(C(=O)CCNC(=O)NNc2ccc(F)cn2)C1	1343738769	JXWBDIFBUAPQRJ-LLVKDONJSA-N	323.372	1.495	50	20	DDGD	
CSSCCNC(=O)NC[C@H](O)c1c(C)nn(C)c1C	1521502662	ANLFGOSKMQAYFF-JTQLQIEISA-N	318.468	1.381	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2c(F)cccc2[N+](=O)[O-])nc1	1608904022	DSSXBKCASQRHIS-UHFFFAOYSA-N	320.236	1.584	50	20	DDGD	
CC[C@H](C)NC(=O)CCNC(=O)NNc1cccc(C(=O)O)c1	1609908043	NWYXMZIMXVEBGS-JTQLQIEISA-N	322.365	1.316	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@]2(C(=O)O)C[C@H]2C)c(F)c1	1604390623	BVSPVFXOFYRGDI-UOWDBTKRSA-N	310.281	1.166	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)Cn1ccc(C(=O)O)n1	1607853283	AWPHLHJPHNZVCS-UHFFFAOYSA-N	308.725	1.686	50	20	DDGD	
O=C(O)[C@@]1(C(=O)NNc2ncccc2F)C[C@@H]1c1ccccc1	1608566747	XRKKSPJHCGBFBY-BZNIZROVSA-N	315.304	1.922	50	20	DDGD	
O=C(C[C@@H]1CCCC[C@H]1O)NNc1ccc(C(=O)O)c(F)c1	1601352282	ODJCWOWCYYHAMC-TVQRCGJNSA-N	310.325	1.908	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2ccc(C(=O)O)cc2F)c[nH]1	1600065842	QUGQELQHTAQYGZ-UHFFFAOYSA-N	305.265	1.278	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@H]1C(=O)O)c1cc2c(s1)CCC2	1605815719	SPUXGFCEIMBXOK-RKDXNWHRSA-N	308.359	1.109	50	20	DDGD	
CO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(Cl)Cl	1802347820	SZJMITFJNJIAQI-QEYWKRMJSA-N	323.220	1.463	50	20	DDGD	
COc1ccc(NC(=O)NN=Cc2cccn2CC(=O)O)cc1	1611051199	QITZJVGMQYQRIS-UHFFFAOYSA-N	316.317	1.737	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2cccn2[C@@H](C)C(=O)O)cs1	1610555179	PDRMOSXIBWYWCL-VIFPVBQESA-N	320.374	1.591	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C=NNC(=O)c1cc[nH]n1	1552453948	TYKBYOUKGOSDII-ZWNOBZJWSA-N	302.338	1.027	50	20	DDGD	
C[C@@H]1CCN[C@H](C(=O)NNc2cccc(Br)n2)C1	1576746125	YRPAPKINJQUIEK-BDAKNGLRSA-N	313.199	1.675	50	20	DDGD	
CC(C)OC[C@H](N)C(=O)NNc1cc(Cl)nc(Cl)c1	1575790679	GARFAROCBJIEOG-QMMMGPOBSA-N	307.181	1.584	50	20	DDGD	
O=C(c1cnoc1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843363737	WEJQISQRPWOTBZ-VIFPVBQESA-N	301.705	1.026	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1C[C@@H](C(=O)O)C[C@@H](C(F)(F)F)C1	1596859931	HMCGEXJZIALOLO-AGGJFOMBSA-N	320.267	1.542	50	20	DDGD	
CC(C)c1ccc(C(=O)NNc2ccc(C(=O)O)cn2)c(O)n1	1591943188	NTYBKOMFUDPMSE-UHFFFAOYSA-N	316.317	1.761	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=Cc2cccn2CC(=O)O)c1	1593714491	FOHSQVKYUWEYSE-UHFFFAOYSA-N	314.345	1.403	50	20	DDGD	
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NNc1cccc(C(=O)O)c1	1598895045	DQPDUDKCYNAGMV-QWHCGFSZSA-N	320.345	1.807	50	20	DDGD	
N#Cc1ccc(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)nc1	1592695274	NUMDOSCNRLBZBW-UHFFFAOYSA-N	321.304	1.282	50	20	DDGD	
CCCC(=O)NN=Cc1ccc(OCC(=O)O)c([N+](=O)[O-])c1	1776107377	XJCMQDSHAGWHNX-UHFFFAOYSA-N	309.278	1.308	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl)[C@H]1CCOC1	1796810063	NRWSTGWNOCVLLJ-HHHUOAJASA-N	318.776	1.196	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1F	15795275	JBNFROVRKKLRMD-AWEZNQCLSA-N	316.288	1.427	50	20	DDGD	
CC[C@H](NNC(=O)CNC(=O)c1ccco1)c1ccc(F)cc1	160860797	FNHOFYLHRKIYJM-ZDUSSCGKSA-N	319.336	1.921	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C(C2CC2)C2CC2)c1	163566211	ZQDGHMAKTLRJOT-UHFFFAOYSA-N	302.374	1.957	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)/C=C/c2ccc3ccccc3n2)[nH]n1	153333294	UIFLXZSZLMWDHV-CMDGGOBGSA-N	321.340	1.741	50	20	DDGD	
CSc1cc(C(=O)NNc2nccn(C)c2=O)ccc1F	153560709	FEQBJIBCEXOVOP-UHFFFAOYSA-N	308.338	1.398	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2cccc(C(N)=O)c2)c1	156079061	FXYANBRBLIJJLC-UHFFFAOYSA-N	303.293	1.690	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)Nc2ccc(F)cc2C)n1	156254757	BGCNDRQYPFYOMJ-UHFFFAOYSA-N	317.324	1.623	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)c2ccc(C#N)cc2)CCCO1	154572667	CAZWEZOKTAAWGJ-HNNXBMFYSA-N	302.334	1.071	50	20	DDGD	
CO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1cc2ccccc2o1	154868498	APLAQLCVMRGTDJ-DGCLKSJQSA-N	317.345	1.944	50	20	DDGD	
O=C(CCc1nc(-c2ccoc2)no1)NNc1ncccn1	159482307	PZQVNRCORUWQKZ-UHFFFAOYSA-N	300.278	1.196	50	20	DDGD	
O=S(=O)(CCl)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1	919341635	NDXONZRBAUUHES-STQMWFEESA-N	300.811	1.471	50	20	DDGD	
Cc1ncccc1C(=O)NNC(=O)Cc1c[nH]c2ccccc12	108253248	ZJVHGLUSJYKHEQ-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)c2cccc(C#N)c2)cc1	58091645	YPCUSXBXEBPBEJ-UHFFFAOYSA-N	315.354	1.490	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2ccccc2)nn1-c1ccccc1	111552267	RYNSIBLUWGBNCC-UHFFFAOYSA-N	321.340	1.728	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(-c2ccco2)nc1C	101962525	XLNGLEOQMAUMEL-UHFFFAOYSA-N	316.386	1.945	50	20	DDGD	
C#CCSCCNC(=O)NNC(=O)c1cccc(Cl)c1	172400435	NJNRJTNCFHQJPW-UHFFFAOYSA-N	311.794	1.650	50	20	DDGD	
CCN1C[C@@H](C(=O)NNC(=O)c2cc3ccccc3o2)CC1=O	177725919	BLSUFKPUONUBQA-NSHDSACASA-N	315.329	1.062	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cn(-c2ccccc2)nn1	103198319	JWLBRETWKUTQQV-UHFFFAOYSA-N	301.350	1.465	50	20	DDGD	
O=C(NNc1ccccc1F)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O	178895090	ZWHVBXWJTSRVEZ-XCBNKYQSSA-N	319.258	1.726	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C\c2ccc([N+](=O)[O-])c(O)c2)n1	179422020	GYANYVOHKUMIPQ-POHAHGRESA-N	313.273	1.580	50	20	DDGD	
O=C(CC[C@H]1CCOC1)NNC(=O)COCc1ccccc1	177420346	GDUSKAGLTDICMA-AWEZNQCLSA-N	306.362	1.167	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CC[C@@H]2CCCCO2)cc1	110602274	ZCQCVTKAOSXSFC-AWEZNQCLSA-N	320.389	1.871	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CCOC(C)C)cc1	65741591	UZGNSKFCBLKKHH-UHFFFAOYSA-N	308.378	1.590	50	20	DDGD	
CC(C)N(CC(=O)NNC(=O)C1CC1)Cc1ccc(C#N)cc1	112977987	HXVSRUCZBZSPOK-UHFFFAOYSA-N	314.389	1.326	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cc2c(ccc3ccccc32)[nH]1	113424970	REQWRQPOLNVZIQ-UHFFFAOYSA-N	310.357	1.644	50	20	DDGD	
O=C(CCC(=O)N1CCOCC1)NNc1ccc(F)cc1F	113431551	NIGATLLURGEGKY-UHFFFAOYSA-N	313.304	1.047	50	20	DDGD	
O=C(Cn1cccn1)NNC(=O)c1cccc(Br)c1	174541971	VOPCLEMKZRACEQ-UHFFFAOYSA-N	323.150	1.107	50	20	DDGD	
O=C(NNc1cccnn1)c1ccc(OC[C@@H]2CCCO2)cc1	172371217	CKLNBDBPPCGJMS-AWEZNQCLSA-N	314.345	1.791	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)NCC(C)C)cc1C	124749817	KRQSIVJWMHBDHN-UHFFFAOYSA-N	306.366	1.228	50	20	DDGD	
CC[C@H](C)CN(C)C(=O)NNC(=O)COCc1ccccc1	127465169	CSADDYKFNFBOQF-ZDUSSCGKSA-N	307.394	1.922	50	20	DDGD	
O=C(NNC(=O)c1cc(F)ccc1O)c1cccc([N+](=O)[O-])c1	175179168	OTUGHEDJFOBYAR-UHFFFAOYSA-N	319.248	1.514	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCCCN1C[C@H](C)O[C@H](C)C1	178971301	AGWBDYVXIAFNAM-VXSFHATMSA-N	309.410	1.436	50	20	DDGD	
CCn1nc(C)c(NC(=O)C(=O)NNc2cccc(F)c2)c1C	120871457	QCNGXAHMQXKOJL-UHFFFAOYSA-N	319.340	1.741	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1nnc(C2CC2)s1)N1CCCC1=O	184490035	BHCGOPWCWJSYRE-LLVKDONJSA-N	323.422	1.506	50	20	DDGD	
CC[C@@H](C)Oc1cc(CNC(=O)NNc2ncccn2)ccn1	180664742	ZKLUZXXWLYHAGH-LLVKDONJSA-N	316.365	1.875	50	20	DDGD	
CCn1ncc2ccc(NC(=O)NNC(=O)c3ccncc3)cc21	184666098	JFZAZSLWERURGY-UHFFFAOYSA-N	324.344	1.918	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cccnc1OCC(F)(F)F	127268888	ONOBEWDJIHMSEN-UHFFFAOYSA-N	319.283	1.830	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)COc1cc(C)cc(C)c1	184203344	WSKJBIZTURPSGX-UHFFFAOYSA-N	322.405	1.892	50	20	DDGD	
COC(=O)Cc1cccc(C(=O)NNc2cc(C)nc(C)n2)c1	188284940	GEXJQMSLIXFWEQ-UHFFFAOYSA-N	314.345	1.566	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCc2cccs2)c1	73117769	GJKLNBPREBVINY-UHFFFAOYSA-N	319.386	1.966	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)Nc1cnn(C)c1	183226416	WDQCVKJPWURGEM-UHFFFAOYSA-N	317.349	1.214	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(N(C)c2ccccc2)nc1	185420074	XDLZKUBMNYPZQN-UHFFFAOYSA-N	300.318	1.850	50	20	DDGD	
CC1(C)[C@@H]2CC[C@@]1(C(=O)NNC(=O)c1ccccc1F)C(=O)C2	39854396	SIAHLLHMKFPYOL-QGHHPUGFSA-N	318.348	1.982	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CC2(O)CCCCC2)cc1	73173307	HUQOTLUBHXIFBJ-UHFFFAOYSA-N	301.346	1.405	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1c(O)cccc1F	186853754	AOQIOLILCZRJBE-UHFFFAOYSA-N	318.304	1.509	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)c2ccco2)o1	41786045	MCFKRRACNDQGMJ-UHFFFAOYSA-N	305.334	1.789	50	20	DDGD	
Cc1cc(OCC(=O)NNC(=O)CN(C)C)ccc1C(C)C	75653332	LJJBMTYKONGELI-UHFFFAOYSA-N	307.394	1.206	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)C(C)(C)C)CCN1CC(F)(F)F	135378566	NHCHNFNUXMOJTJ-SECBINFHSA-N	324.347	1.342	50	20	DDGD	
C[C@@H](OC[C@H]1CCCO1)C(=O)NNc1ccc([N+](=O)[O-])cc1	133902655	SADYBDBRUDQYNS-ZWNOBZJWSA-N	309.322	1.622	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CC[C@@H](C)[C@@H]1C	137852203	FDVIACWCFQFPDM-OCCSQVGLSA-N	303.406	1.415	50	20	DDGD	
COc1cccc(/C(C)=C/C(=O)NNC(=O)[C@@H]2CCCO2)c1	81666886	ICRYOHMQIJVFLK-MARXPDLDSA-N	304.346	1.425	50	20	DDGD	
O=Cc1cccc(OCC(=O)NNc2nc3ccccn3n2)c1	191916813	VNTQTNZFRLMGON-UHFFFAOYSA-N	311.301	1.064	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCOCC2)s1)c1cccnc1	254488397	CVVMHUGTULEYPJ-UHFFFAOYSA-N	316.386	1.744	50	20	DDGD	
NC(=O)NN=Cc1cc(Br)c2c(c1)OCCO2	252453297	GSJYEBUUFYEJAK-UHFFFAOYSA-N	300.112	1.223	50	20	DDGD	
CN(C)N(C(=O)c1cc2ccccn2c1)[C@@H]1CCS(=O)(=O)C1	265092453	NWNWOKWGFYDPRK-CQSZACIVSA-N	321.402	1.045	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNC(=S)Nc1ccc(C)cc1C	268327451	LVPRBNRAJWLQFM-NSHDSACASA-N	323.418	1.820	50	20	DDGD	
O=C(NNC(=O)c1cc2n(n1)CCO2)Nc1ccc(Cl)cc1	366078040	KSKDIRPVIIAXGD-UHFFFAOYSA-N	321.724	1.395	50	20	DDGD	
COCC1(CNC(=O)NCCSSC)CCOCC1	366282277	NJYCEVJZUJQASX-UHFFFAOYSA-N	308.469	1.740	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1)C1CC1	279883413	IHQDOESNAKPLSY-TVQRCGJNSA-N	310.325	1.165	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	276714101	QTVHQIHQOWFFQH-XQQFMLRXSA-N	302.378	1.974	50	20	DDGD	
CC[C@]1(C)CN(C(=O)NNC(=O)c2ccccc2OC)CCO1	276951733	QTVIGXGOWANYFB-MRXNPFEDSA-N	321.377	1.551	50	20	DDGD	
C[C@H]1Oc2ccccc2[C@@H]1NC(=O)NNc1nc2ccccn2n1	365704512	PTYRWYGQSADZMY-QMTHXVAHSA-N	324.344	1.878	50	20	DDGD	
CO[C@H](C)CCNC(=O)NNc1cccc(S(C)(=O)=O)c1	271892441	FAGYBCKSBHTJAO-SNVBAGLBSA-N	315.395	1.141	50	20	DDGD	
CC(C)(C)OC(=O)CCC(=O)NNc1cc(Cl)nc(N)n1	277717750	JWWQOLCRBXDGMQ-UHFFFAOYSA-N	315.761	1.277	50	20	DDGD	
CC(=O)N1CC[C@@](C)(C(=O)NNc2ccc(C#N)c(Cl)c2)C1	364965765	BHFXPFYBGSWMHK-OAHLLOKOSA-N	320.780	1.913	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(Br)ccc1O	271342781	JVOLNFNNHRXGMG-UHFFFAOYSA-N	316.155	1.461	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@]12CCOC2)Nc1cc(F)cc(F)c1	374782322	RXDBUQVZBIXEIX-BXUZGUMPSA-N	311.288	1.544	50	20	DDGD	
COCCOc1ccc(NC(=O)NNC(=O)C2CCC2)c(C)c1	272888816	YGGCGYZYGUJFRI-UHFFFAOYSA-N	321.377	1.973	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cc(Cl)ccc1OC	278645258	ZQOQPIFYJUGLNJ-QMMMGPOBSA-N	320.798	1.704	50	20	DDGD	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1cc(F)c(F)cc1F	285874033	WAZPGVMZKSPNMJ-NKWVEPMBSA-N	302.252	1.746	50	20	DDGD	
CSSCCNC(=O)[C@@H](C)NC(=O)c1cccs1	284139180	PSRKXUUFQYGKQT-MRVPVSSYSA-N	304.462	1.994	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1	288352596	BFBKLFIMDXOCBI-UHFFFAOYSA-N	312.238	1.154	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)COc1cccc(C)c1)C(C)C	280984453	AFDIRGIIAJOUJQ-CQSZACIVSA-N	303.362	1.362	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H]2CC23CCOCC3)cc1	374843436	QZOHRPWISBUDMA-CYBMUJFWSA-N	319.361	1.665	50	20	DDGD	
COc1coc(C(=O)NNc2nccnc2C2CCC2)cc1=O	286866707	CQVXCHUYPPFQAK-UHFFFAOYSA-N	316.317	1.463	50	20	DDGD	
Cc1nc2ccc(NC(=O)NNC(=O)C3CCCC3)cn2n1	809894762	JABYJQCQGMIRJP-UHFFFAOYSA-N	302.338	1.381	50	20	DDGD	
CC(C)[C@H](NC(=O)c1ccco1)C(=O)NNc1ncncc1F	293880916	DMCBPPVYPVUERS-NSHDSACASA-N	321.312	1.106	50	20	DDGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1cnc(S)[nH]1	800691739	DKGHUPBGJMJJCF-UHFFFAOYSA-N	303.269	1.869	50	20	DDGD	
N[C@@H]1CCC[C@H]1CC(=O)NNc1nc(-c2ccccc2)no1	294000650	DRMVXIRYDOGBFE-NWDGAFQWSA-N	301.350	1.697	50	20	DDGD	
COCCO[C@H]1CCCN(C(=O)NNC(=O)c2ccccc2)C1	800987537	YUOARGVQXPEKIR-AWEZNQCLSA-N	321.377	1.168	50	20	DDGD	
O=C(CN1CCCCCC1=O)NNC(=O)Nc1ccccc1	298763562	VTCRUYSRNMGOAX-UHFFFAOYSA-N	304.350	1.242	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)/C=C/c2ccc3c(c2)CCO3)O1	294078381	CHQQUDVHOUJIMR-BZEHQHNPSA-N	316.357	1.350	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNc1ccc2c(=O)[nH]ccc2c1	803429190	PKHJOCKMAUIVKV-UHFFFAOYSA-N	323.356	1.946	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(F)c(Cl)cc1F	295585962	OSAKOOYNITZHOM-NSHDSACASA-N	318.707	1.948	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc(C)n(C)c1C	807371229	HINLEJKAUTVUHH-UHFFFAOYSA-N	311.382	1.192	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)CC[C@@H]2CCCO2)cc1	298339002	RNHLTEQUHHNRLI-AWEZNQCLSA-N	321.377	1.214	50	20	DDGD	
N#Cc1cc(O)cc(C(=O)NNc2cnc3ccccc3n2)c1	809799670	VKFDRCDMYIVOKH-UHFFFAOYSA-N	305.297	1.964	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1c[nH]nc1-c1ccsc1	295253245	AKRGQEUIPQXYKO-NSHDSACASA-N	320.374	1.468	50	20	DDGD	
CCc1ccccc1NC(=O)C(=O)NNc1ncncc1F	815765117	GNHJYJIWRGRDDH-UHFFFAOYSA-N	303.297	1.260	50	20	DDGD	
COc1ccc(CNC(=O)NNc2ccccn2)c(OC)n1	811970598	HPORFDXQHPPVBI-UHFFFAOYSA-N	303.322	1.320	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2	819122527	CSSWSEYNCQPKKZ-DEKFOEGESA-N	306.284	1.290	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)Cc2cc[nH]n2)C[C@@H]1C	814954743	LJQNREJTLKZLRO-GXFFZTMASA-N	306.366	1.424	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2ccccc2OC)on1	814843997	YQLGCQHJVZUEAG-UHFFFAOYSA-N	303.274	1.234	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)O)CCC1=NNC(=O)CNC(=O)c1ccco1	814826964	OQEKGZLDKZDACB-NXEZZACHSA-N	321.333	1.002	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)c2cccc(C#N)n2)c1	810602716	ULNXUJHYXTVLAJ-UHFFFAOYSA-N	321.365	1.566	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1O)c1cncc(F)c1	814952209	PMKTYFUPCRLDSX-UHFFFAOYSA-N	303.293	1.846	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=C1CCN(CCO)CC1	819804473	GBTGIBFQSIMGOM-LBPRGKRZSA-N	323.368	1.153	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)c1ccc(N)nc1	814859579	USPWAPMATGMDSX-UHFFFAOYSA-N	313.317	1.908	50	20	DDGD	
COCc1ccccc1/C=C(/C)C=NNC(=O)C(=O)NC1CC1	814217087	QABQJHZMPWRDRX-IUBBXMLTSA-N	315.373	1.617	50	20	DDGD	
CN(NC(=O)[C@H](c1ccccc1)N1CCSCC1)C1CC1	819646427	YAJSQZPQURTEIK-HNNXBMFYSA-N	305.447	1.902	50	20	DDGD	
Cc1csc(CC(=O)NN=C2CC[C@@H](C(=O)O)[C@H](C)C2)n1	814778988	BBWOQCISWAFMME-LDYMZIIASA-N	309.391	1.987	50	20	DDGD	
CSc1ccccc1NC(=O)C(=O)NNc1ncncc1F	815764367	FJYCFMVJIZDKQB-UHFFFAOYSA-N	321.337	1.419	50	20	DDGD	
CN1CC[C@@H](CNC(=O)/C(C#N)=C\c2ccc(O)cc2)CC1=O	491160252	KMKKYHFNFUKOTC-HRYODUOUSA-N	313.357	1.284	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc2[nH]c(C(=O)NC)cc2c1	492589650	UBDWXJMXVPFHJM-UHFFFAOYSA-N	319.321	1.310	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)c1cccc(-c2nn[nH]n2)c1	826446234	FBEQUDIPLZNHQQ-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
CC[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@]1(C)C[C@@H]1Br	822630575	YBRZUNFCIVHIMA-PEFMBERDSA-N	305.216	1.579	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)Cc1cc(Br)ccc1F	823946719	NNWZJANQXRCCRO-MRVPVSSYSA-N	319.174	1.475	50	20	DDGD	
C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NN(C)[C@H](C)CO	823934342	FNCHQMAVRMZWGZ-GHMZBOCLSA-N	312.797	1.893	50	20	DDGD	
O=C(CCc1ccncc1)NNc1ccc(-c2nn[nH]n2)cc1	826409200	MSNWOWWNOVRDFH-UHFFFAOYSA-N	309.333	1.338	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=O)Cc2cccnc2)s1	728851687	SVLNEZRAJLWDEH-UHFFFAOYSA-N	304.375	1.413	50	20	DDGD	
CCN(CCC(F)(F)F)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	827306557	IMIWHBOUDANOMQ-IUCAKERBSA-N	311.304	1.427	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)COc2ccc(C#N)cc2)CC=CCC1	822195710	CGBQZDMLDQSLIW-KRWDZBQOSA-N	313.357	1.831	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)CCCNC(=O)OC(C)(C)C)CCO1	494591698	YOXCXCNZWZQBLM-LLVKDONJSA-N	313.398	1.962	50	20	DDGD	
C[C@H](O)C[C@@H]1CCCCN1C(=O)/C(C#N)=C\c1cnn(C)c1	490975896	QEPDMOSJBRWDNI-WQVXJKCVSA-N	302.378	1.479	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@H]1[C@H]1CCCOC1)c1ccccc1	825582711	FFHNKLUDCJWYCD-GJZGRUSLSA-N	317.389	1.932	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cn1	491054105	ZSPYYBZWAPTRJX-SAIHVBEPSA-N	312.373	1.401	50	20	DDGD	
CCS[C@@H]1CCCC[C@@H]1NCc1ccc(B(O)O)cc1F	585026288	KOCKVUSSWOGNCP-LSDHHAIUSA-N	311.231	1.659	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCCN(Cc3ccccc3)C2)cc1	585027220	PFKNELSXOQWHSU-LJQANCHMSA-N	324.233	1.121	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=Cc1cnn(C2CCC2)c1	901194980	SOEVGZUHOVRASH-UHFFFAOYSA-N	322.372	1.949	50	20	DDGD	
Cc1ccc([C@H](C)NCc2ccc(B(O)O)cc2F)c(C)c1	585017401	WOBCNSHANDEHBE-ZDUSSCGKSA-N	301.170	1.973	50	20	DDGD	
CC(C)(CCNC(=O)c1ccc(B(O)O)cc1)c1ccccc1	584933759	KGKOSBJIWWUORK-UHFFFAOYSA-N	311.190	1.464	50	20	DDGD	
CS[C@@H]1CN(C(=O)[C@]2(C)C[C@@H]2Br)C[C@H]1N(C)C	907146012	JBGYQSLQHIBKFG-MWGHHZFTSA-N	321.284	1.664	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1	495327178	VWTTVXGJMIEWMI-UHFFFAOYSA-N	306.105	1.319	50	20	DDGD	
COCCCNC(=O)NN=C1CC(NC(=O)OC(C)(C)C)C1	495784454	GCFFNSYPJWPTLN-UHFFFAOYSA-N	314.386	1.365	50	20	DDGD	
OB(O)c1ccccc1CNc1ccc(F)cc1OCC1CC1	585012178	OHVWQMLGQZIKTD-UHFFFAOYSA-N	315.153	1.906	50	20	DDGD	
Cc1cc(NNC(=O)CCc2ccc(C(=O)O)cc2)ncn1	738462678	RGYBWHFHVWLOOJ-UHFFFAOYSA-N	300.318	1.559	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)c2ccccc2F)cn1	732252979	VNKJDCIAFNTZRR-UHFFFAOYSA-N	316.336	1.716	50	20	DDGD	
CCOC(=O)N[C@H](C(=O)NNc1ncc(F)cc1F)C(C)C	496851675	AJSWGGZNZAZLLG-JTQLQIEISA-N	316.308	1.574	50	20	DDGD	
CCCC1CCC(NC(=O)c2cc(B(O)O)ccc2F)CC1	584934685	RHLCCQUUHHRYDN-UHFFFAOYSA-N	307.174	1.594	50	20	DDGD	
CCC(CC)CNC(=O)NNC(=O)CNC(=O)OC(C)(C)C	494554229	JIWUIIFDWRSYNO-UHFFFAOYSA-N	316.402	1.278	50	20	DDGD	
C[C@]1(C(=O)NCc2ccc(O)c(O)c2)C[C@H]1Br	907061403	VFVFFKYIDZUDJB-PWSUYJOCSA-N	300.152	1.888	50	20	DDGD	
CCNC(=O)NN=C[C@@H](CC(F)F)NC(=O)OC(C)(C)C	496147521	PRJMEZJBFGSMKA-MRVPVSSYSA-N	308.329	1.840	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCC[C@H](c2ccccc2)CC1	584938903	DYBHUCYYIKQZLG-INIZCTEOSA-N	323.201	1.776	50	20	DDGD	
CC1(C)COC(=O)[C@H]1NC(=O)/C(C#N)=C\c1ccc(O)cc1	837637254	PIUIJSHQNBNYLQ-LWMSPQMPSA-N	300.314	1.367	50	20	DDGD	
CC(C)c1ccc(NNC(=O)NC[C@H]2CCCNC2=O)cc1	838776407	BDEGSHOBDYGEPB-CYBMUJFWSA-N	304.394	1.962	50	20	DDGD	
CSCCCCCCNC(=O)NNC(=O)[C@H]1CCCCO1	836395011	XMEGZDSNFHFORT-GFCCVEGCSA-N	317.455	1.809	50	20	DDGD	
Cc1nc(O)nc(O)c1CCC(=O)NNc1ncccc1Cl	734247559	PUIARFTWJGLPEC-UHFFFAOYSA-N	323.740	1.321	50	20	DDGD	
CC(C)[C@H](CO)[C@@H](NS(=O)(=O)CBr)C(C)C	832237839	XTGSTQXDEIXDRA-UWVGGRQHSA-N	316.261	1.547	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cn1	735578954	CBNMHDVGTMFIBW-SGMGOOAPSA-N	319.409	1.723	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NC[C@@H]2CN(C)CCN2C)c(C)c1	732475070	SHDLGRAUJFAHFI-OAHLLOKOSA-N	319.453	1.484	50	20	DDGD	
CCSc1cccc(CNCc2cccc(B(O)O)c2)c1	585042904	HBUFDHQCHQXMPR-UHFFFAOYSA-N	301.220	1.768	50	20	DDGD	
C=C(CI)n1cc(C[C@@H](O)C2CC2)nn1	900641117	KOCGSRQRHJLUNO-SNVBAGLBSA-N	319.146	1.497	50	20	DDGD	
Cc1ccc(CNC(=O)[C@]2(C)C[C@H]2Br)c(=O)n1C	907800331	JFCLLKQSNOIMBQ-ZWNOBZJWSA-N	313.195	1.483	50	20	DDGD	
CCC(C)(C)OCC(=O)NNC(=O)CNc1ccc(C)cc1	839482628	HWEURBFRCCTEKG-UHFFFAOYSA-N	307.394	1.760	50	20	DDGD	
CC(C)c1ccc(NNC(=O)NC[C@@H]2CN(C)CCN2C)cc1	838440565	XAOVJYPMYZRHQE-MRXNPFEDSA-N	319.453	1.682	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)CCN2CCCCCC2)c2nccn21	834931537	KLQZVHHBGMGDIS-CYBMUJFWSA-N	303.410	1.934	50	20	DDGD	
CCCOc1ccc(CNCc2ccc(B(O)O)o2)cc1OC	585018089	PXTXAUWZVZEWLT-UHFFFAOYSA-N	319.166	1.047	50	20	DDGD	
CCc1cccc2c1NC(=O)C2=NNC(=O)CCN(CC)CC	733076864	WLKUWXKORXBMKE-UHFFFAOYSA-N	316.405	1.753	50	20	DDGD	
O=C(NCCn1cnc2ccccc21)NNC(=O)c1ccc[nH]1	732595359	OUBCIJITHCTIFR-UHFFFAOYSA-N	312.333	1.009	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	831042295	QPWGKAFPPLELOU-MFKMUULPSA-N	305.334	1.467	50	20	DDGD	
CCN(CCSC)CC(=O)NNC(=O)c1cccc(C)c1	830999889	YFHSOFFMQGIGGI-UHFFFAOYSA-N	309.435	1.441	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1ccc(C(F)(F)F)cc1	915956137	QXLHKAPOVSCEHZ-UHFFFAOYSA-N	313.279	1.824	50	20	DDGD	
CO[C@@H]1CCC[C@@H](C(=O)NNc2cc(O)nc3ncccc23)C1	913989784	QCRGAYBDKNYFAL-GHMZBOCLSA-N	316.361	1.984	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]32)nc1	832649887	RXHVBYVHOSRGMX-UPJWGTAASA-N	318.377	1.228	50	20	DDGD	
C=C(CC)CNC(=O)NNC(=O)COc1ccccc1C#N	838718998	AWLIQYNSAIOSES-UHFFFAOYSA-N	302.334	1.234	50	20	DDGD	
CCCc1ccc(C(=O)CCC(=O)NN(C)C[C@H](C)O)cc1	910183121	NWKJWRBBTOBCKA-ZDUSSCGKSA-N	306.406	1.946	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCc2ccc(C(=O)O)cc2)o1	832911341	CSPGZRGWPWIUTR-UHFFFAOYSA-N	316.313	1.680	50	20	DDGD	
COc1ccc(C=NNC(=O)C(N)=O)cc1OCCC(C)C	747601992	HVGGZJDSKKIPNS-UHFFFAOYSA-N	307.350	1.056	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)c(F)c1	837693559	RUJURQNVDVBRJJ-JMJZKYOTSA-N	320.320	1.671	50	20	DDGD	
Cc1csc(C2(NCC(=O)NNC(=O)C3CC3)CCCC2)n1	746493130	RHVNWYPCKBXOQC-UHFFFAOYSA-N	322.434	1.368	50	20	DDGD	
CCC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1cnn(C)c1	741811348	SLFBDYXTOXKFFX-UHFFFAOYSA-N	301.306	1.872	50	20	DDGD	
Cc1cc(N2CCCC2)ccc1NC(=O)NNC(=O)CCCN	841016270	GZGRPLTXSDQDNJ-UHFFFAOYSA-N	319.409	1.487	50	20	DDGD	
C=C[C@](C)(O)CC(=O)Nc1cccc(NC(=O)NN(C)C)c1	843869756	BSSGSULNRWTDFU-HNNXBMFYSA-N	306.366	1.550	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)[C@@H](O)c1ccccc1	746241446	KEXCVCXGHMOSCL-LBPRGKRZSA-N	311.301	1.308	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCCN1c1ccccc1	843656313	PEBJUACHYUEHSI-QEJZJMRPSA-N	317.389	1.228	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NNC(=O)NCCc1cccs1	746166907	KNRWWGXQELQSFI-VXGBXAGGSA-N	324.450	1.494	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@@H]1Cc2cc(F)ccc2O1	743317083	DCXHIDZTDUGVRL-VIFPVBQESA-N	306.215	1.229	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)CCCC2	843640297	BOTYYRASQCNWNT-ABAIWWIYSA-N	302.374	1.751	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)CCC(C)C)c1	744546935	DABFNWFVRJGUKC-UHFFFAOYSA-N	306.362	1.735	50	20	DDGD	
C[C@@]1(NS(=O)(=O)c2ccc(CCl)cc2)CCOC1=O	915754060	ZOAWMJRTVGQTKN-GFCCVEGCSA-N	303.767	1.409	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(OC)cc(Cl)c1F	840291133	ZGRVFEHHLRCDFT-UHFFFAOYSA-N	303.721	1.842	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2CCN(CC(F)F)C2)C[C@H]1Br	910942236	RFSJRVBICFBMNG-XLDPMVHQSA-N	311.170	1.616	50	20	DDGD	
C#CCOc1ccc(C=NNC(=O)[C@@H](C)OCCOC)cc1	748252238	CFHRBZHZSBLHIO-CYBMUJFWSA-N	304.346	1.200	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CC[C@H]2CCOC2)cc1	846374416	OQMMPLHXISARCA-ZDUSSCGKSA-N	306.362	1.662	50	20	DDGD	
CC(C)Nc1ncccc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843979887	QQIJXUDJZCETEY-WDEREUQCSA-N	306.366	1.088	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CSCc2ccccc21	748256443	BGTWMLHEXYHPSJ-LLVKDONJSA-N	308.403	1.805	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCC2CCOCC2)cc1	844937215	MVNBOMDUMNBDQS-UHFFFAOYSA-N	321.377	1.455	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)CCc2c(F)cccc2F)CC1	859099752	WUWLAIJXDGEFGP-UHFFFAOYSA-N	312.341	1.993	50	20	DDGD	
CCn1nccc1NC(=O)NNC(=O)c1ccc(C)cc1O	757903282	RULZGPYPAQGRIU-UHFFFAOYSA-N	303.322	1.384	50	20	DDGD	
CC(=NNC(=O)C(C)C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	853274054	YJJIAQKETGFVHE-GFCCVEGCSA-N	313.398	1.770	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H]2C[C@H](C)Cc3c[nH]nc32)n1	857858276	LPFBXAKTKSZZGX-GMSGAONNSA-N	320.784	1.971	50	20	DDGD	
COCCCNC(=O)NN=Cc1cn2cc(Cl)ccc2n1	920831645	VXDCSLZPLNYJMB-UHFFFAOYSA-N	309.757	1.657	50	20	DDGD	
Cc1cccc2c1O[C@@H](C(=O)NNC(=S)N[C@H](C)C1CC1)C2	855095272	KEXIBWLPMBZSPB-ZWNOBZJWSA-N	319.430	1.592	50	20	DDGD	
Cc1c(C#N)cccc1NC(=O)NNC(=O)CC(F)(F)F	757731975	DAISLSIFRSISNR-UHFFFAOYSA-N	300.240	1.972	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cccc2ncn(C)c12)C1CC1	855097839	YSSQEJIJOKAMJH-SECBINFHSA-N	317.418	1.481	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1ccc(F)cc1N(C)C	759196822	MTRZSEMSSATWGQ-UHFFFAOYSA-N	310.373	1.951	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cccnc1-c1ccccc1	757774895	CFSKHVMYVNCXME-UHFFFAOYSA-N	300.318	1.548	50	20	DDGD	
CC(C)N1CCC[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)OCO2	929229814	HKYZXCLCYSSYPN-GFCCVEGCSA-N	319.361	1.049	50	20	DDGD	
COC[C@@H]1CCN(C(=O)NC[C@]2(C)C[C@H]2Br)C1	856753805	XZXUZJZSDHGSJE-FOGDFJRCSA-N	305.216	1.838	50	20	DDGD	
Cc1cc(C)cc(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	852394578	UWOGCGGSHXODEU-TZMCWYRMSA-N	305.378	1.559	50	20	DDGD	
O=C(NCc1cc(C2CC2)ccc1F)NNC(=O)c1cn[nH]c1	858501416	NPEXGXGEQGNWEL-UHFFFAOYSA-N	317.324	1.570	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@@]1(C)C[C@H]1Br	857733623	MDJHEEHEXYKLSP-RUSTZOOPSA-N	312.211	1.813	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)Cc2cccc3ccccc23)CCOC1	754058922	FNWYJCWUPIJQRO-SFHVURJKSA-N	312.369	1.956	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccnc(C2CC2)n1	855091610	XAIBJHZFLWKWFY-UHFFFAOYSA-N	305.407	1.263	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCCc2cc(O)ccc21	750935221	PHAQKBNTSOLREK-UHFFFAOYSA-N	301.346	1.171	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@@H](C)[C@H]1CN(C)CCO1	853877060	QYSZFOBVTWROCK-SMDDNHRTSA-N	310.373	1.479	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cc[nH]n1)[C@H]1OCCc2sccc21	855355927	JHCSVZAQDDGIOB-PRHODGIISA-N	320.374	1.182	50	20	DDGD	
Cc1noc(C)c1[C@H](C)NCC(=O)NNC(=O)c1ccccc1	754157671	JHQQPRIJOFSQPF-JTQLQIEISA-N	316.361	1.403	50	20	DDGD	
CC(C)n1ncc(C(=O)NNc2ccc([N+](=O)[O-])cc2)c1N	758355392	AKMQNXPXZJMXQX-UHFFFAOYSA-N	304.310	1.711	50	20	DDGD	
O=C(Cc1ccc([N+](=O)[O-])cc1)NNC(=O)OCC(F)(F)F	856026838	OCGBYXKEUFPVIW-UHFFFAOYSA-N	321.211	1.457	50	20	DDGD	
C[C@]1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H]1Br	857395340	SADPZLWMYAJBBM-IMTBSYHQSA-N	303.116	1.221	50	20	DDGD	
C[C@H]1CN(C[C@@H](CBr)C2CC2)C[C@@H](C)S1(=O)=O	701860759	HSRKNJOXSZVCLJ-JFGNBEQYSA-N	324.284	1.915	50	20	DDGD	
C#CCN(C)CCCNC(=O)NC[C@]1(C)C[C@@H]1Br	856858606	DXUGKNBIGAWVRT-AAEUAGOBSA-N	316.243	1.414	50	20	DDGD	
CC(C)C(=O)NNC(=O)NC[C@H]1CCN1Cc1ccccc1	852703501	PJYNYELQVRFDPC-CQSZACIVSA-N	304.394	1.247	50	20	DDGD	
CC(=O)N1CCCN(C[C@H](CBr)C2CC2)CC1	701844182	VIDOGBRVUJYHRU-ZDUSSCGKSA-N	303.244	1.962	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)C2CCC2)C[C@@H]1Br	856900941	ZVKNWHGQAFLZRG-GZMMTYOYSA-N	304.188	1.290	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855834375	SNWAGLHJXAOMBB-HNNXBMFYSA-N	310.398	1.016	50	20	DDGD	
C=C(CBr)CN1CCC(N2CCOCC2)CC1	859353526	DYYNDLKHHIZUCS-UHFFFAOYSA-N	303.244	1.734	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)c1cc(OC)cc(OC)c1	755046425	PFTSPPROXDPANU-SNVBAGLBSA-N	310.350	1.137	50	20	DDGD	
CS(=O)(=O)CC1(CC(=O)NNc2ncc(F)cc2F)CC1	857533325	SNFXTSRNOGMPBJ-UHFFFAOYSA-N	319.333	1.018	50	20	DDGD	
Cc1ncc(C=NNC(=O)[C@H](C)CN2CCCCCC2)n1C	853280499	FPLRQVDCBJMKLV-CYBMUJFWSA-N	305.426	1.691	50	20	DDGD	
COC(=O)CSCCC(=O)NC[C@@]1(C)C[C@@H]1Br	857687769	AYEHZPZJJJFCBP-GZMMTYOYSA-N	324.240	1.572	50	20	DDGD	
O=C(NNC(=O)[C@H]1Cc2cc(F)ccc2O1)OCC(F)(F)F	856021140	HWSAKAGYCOFHES-SECBINFHSA-N	322.214	1.449	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccc2sccc2c1	869908210	KQKAICGUCQQGFE-UHFFFAOYSA-N	308.359	1.325	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc2c(c1)COC(C)(C)O2	766027715	XFDWGUNOILOTNI-UHFFFAOYSA-N	321.333	1.138	50	20	DDGD	
Cc1ccc(CO[C@H](C)C(=O)NNc2nnc(C)c(O)n2)cc1	863855013	KCBHUZGIKDATFV-LLVKDONJSA-N	317.349	1.242	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNc1cc(C(F)(F)F)ccn1	868607106	MLXYQLFQCQUPNY-SECBINFHSA-N	304.272	1.458	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2nc3ccccc3[nH]c2=S)C1=O	862293606	ZKHQZODKXOCFGW-MRVPVSSYSA-N	317.374	1.214	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNCC(F)(F)C(F)(F)F	863100143	SZXSQAZGQQTAHG-UHFFFAOYSA-N	320.258	1.784	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CN2CCC3(CC2)CC3)cc1	761061924	IXTNXOAMFQKMQF-UHFFFAOYSA-N	312.373	1.195	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)Cc1cccnc1	764042216	CHTXJZLRBQFJQH-UHFFFAOYSA-N	317.370	1.269	50	20	DDGD	
CCCCNC(=O)NN=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	766010851	CJHDVRNRUIDHML-UHFFFAOYSA-N	309.282	1.936	50	20	DDGD	
CC(=NNC(=O)Cn1nnc(-c2ccccc2)n1)c1occc1C	767749421	VISUKBJBBAOYHK-UHFFFAOYSA-N	324.344	1.782	50	20	DDGD	
COCCOCC(=O)NNC(=O)[C@@H](C)c1ccc(Cl)cc1	869902986	DYOSVDQPFKIQLU-JTQLQIEISA-N	314.769	1.254	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2	861576840	TWXJQNZSVXFSDW-HUBLWGQQSA-N	312.410	1.749	50	20	DDGD	
CO[C@H](CS(=O)(=O)NNC(=O)c1cc(C)cs1)C(C)C	863413294	DVKWCMJVGOYMCU-SNVBAGLBSA-N	320.436	1.292	50	20	DDGD	
COC1CCC(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)CC1	863126780	OLQIOWIKLMQMDM-JYVUQVBGSA-N	309.410	1.157	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](C)OCc1ccc(C)cc1	862002766	ATDVLPRCXWIVEP-LBPRGKRZSA-N	316.361	1.842	50	20	DDGD	
Cc1nnc(CC(=O)NNc2cncc(Br)c2)o1	1117669175	DMHWCKSJFBCAJT-UHFFFAOYSA-N	312.127	1.221	50	20	DDGD	
O=C(Cc1ccc2n[nH]cc2c1)NNCC(F)(F)C(F)(F)F	863100645	ZBCXIQPHCLCUPQ-UHFFFAOYSA-N	322.237	1.924	50	20	DDGD	
COc1cccc(CCC(=O)NNc2ncc(F)cn2)c1OC	760912641	UNAXIXJLDJWFPA-UHFFFAOYSA-N	320.324	1.709	50	20	DDGD	
O=C(C[C@@H]1COC(=O)C1)NNC(=O)c1cccc2ccccc12	765476590	YAWXXLBERIKLIB-NSHDSACASA-N	312.325	1.554	50	20	DDGD	
CC[C@H](O)[C@@H](C)C(=O)NNc1cncc(Br)c1	1119533467	XMUFVDBELPAGDN-XCBNKYQSSA-N	302.172	1.694	50	20	DDGD	
C=CCOCCCC(=O)NNC(=S)Nc1ccc(OC)nc1	874953400	BMNZZLCLEZXWHY-UHFFFAOYSA-N	324.406	1.391	50	20	DDGD	
CNc1c(C(=O)NNC(=O)C2CCCC2)cccc1[N+](=O)[O-]	765364284	DRQZSIXRVQQOAA-UHFFFAOYSA-N	306.322	1.588	50	20	DDGD	
CN[C@H](C)CCNC(=O)NNc1ccc(C(=O)OC)c(F)c1	1118031986	GKLCMSLSJIHSCC-SECBINFHSA-N	312.345	1.236	50	20	DDGD	
C[C@@H](NC(=O)NNc1nncc(N)c1Cl)c1cccc(O)c1	1116765423	JUKDQNLWUTZRGU-SSDOTTSWSA-N	322.756	1.805	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1sccc1-n1ccnn1	878580412	DJZUABIQILEPDU-UHFFFAOYSA-N	319.390	1.670	50	20	DDGD	
COCC1(C(=O)NNC(=O)COc2cc(C)cc(C)c2)CC1	778525407	UZFRDFGXJGKWDM-UHFFFAOYSA-N	306.362	1.256	50	20	DDGD	
COCCOc1cccc(CC(=O)NNc2cccnn2)c1	772456535	HELWJPBGUPCFBT-UHFFFAOYSA-N	302.334	1.188	50	20	DDGD	
CC(C)CO[C@@H](C)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	772019594	HKUQERAOLIISOG-RYUDHWBXSA-N	316.398	1.173	50	20	DDGD	
C[C@H](CBr)CN1CCCC[C@H](S(C)(=O)=O)C1	770003202	XTDKKFJQTZMQNY-MNOVXSKESA-N	312.273	1.917	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cn1)[C@@H]1[C@H]2CCCO[C@H]21	775256788	POAIXUXRMTTYPO-FBIMIBRVSA-N	301.268	1.969	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(Cl)nc1)[C@H]1CN(C)CCO1	770439114	VQBSXFDCFPLOPA-GXSJLCMTSA-N	313.789	1.080	50	20	DDGD	
COC(=O)C(=O)NN=C(C)[C@H](C)c1ccc(OC)c(OC)c1	1116874106	QKEHIIMYNULETG-VIFPVBQESA-N	308.334	1.472	50	20	DDGD	
C=CCN(CC(=O)NNC(=O)c1cccc(Cl)c1)C1CC1	772383137	UEJNMBUXNFOYAY-UHFFFAOYSA-N	307.781	1.751	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H](C)c1ccc2c(c1)OCO2	1117697888	QHINLMWLNOIDCF-SECBINFHSA-N	309.391	1.423	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)Cc1ccc(O)cc1	771900752	JXCSQNLDJBCOSM-NSHDSACASA-N	322.361	1.060	50	20	DDGD	
C[C@@H]1CC[C@@H](C(=O)NNC(=O)Cn2cnc3ccccc32)C1	776338094	FOEBQJNNJVQAFJ-VXGBXAGGSA-N	300.362	1.620	50	20	DDGD	
COC(=O)c1ccsc1NC(=O)C(=O)NNc1ccccc1	775528732	BWLBJMYYRQXNGB-UHFFFAOYSA-N	319.342	1.617	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccc(-n2ccnc2)nn1	772846646	AMPAFOZTPPPMAE-UHFFFAOYSA-N	324.348	1.333	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H]1CC[C@H]2SCCS[C@H]12	882030449	TVWZJAMVXSUFGQ-OPRDCNLKSA-N	315.913	1.914	50	20	DDGD	
C=C/C=C\CCNC(=O)NNC(=O)c1ccc(OC)cc1OC	883480114	SNEAZRVUAVKCPR-WAYWQWQTSA-N	319.361	1.780	50	20	DDGD	
CCC1(CC)CN(C(=O)NNC(=O)c2cccnn2)CCS1	883852795	VYHGLLCNNWJSNY-UHFFFAOYSA-N	323.422	1.439	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc2c(F)cccc2[nH]1	772007147	YXDOMWXJNYBMEC-QMMMGPOBSA-N	321.308	1.410	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@H](F)Cc1ccccc1	777978106	SLXOPGVJSUEWPB-CYBMUJFWSA-N	309.410	1.863	50	20	DDGD	
CC(C)(C)[C@H]1CCC[C@H]1NC(=O)NNC(=O)C1CCOCC1	883692597	HMPDOCITAQPGFU-QWHCGFSZSA-N	311.426	1.958	50	20	DDGD	
COc1ccc2c(c1)OCCN(S(=O)(=O)CCCCl)C2	882165747	DLDGGVYGEOPDBD-UHFFFAOYSA-N	319.810	1.848	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1cccc2c1OC(C)(C)C2	789584276	GEZRDKJLSYAPPT-UHFFFAOYSA-N	319.361	1.142	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc2[nH]ccc2cc1C	782117008	IYHAUXFSAJLGRH-VIFPVBQESA-N	316.361	1.608	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2c[nH]c3ccccc23)CCCOC1	781143918	ZLAYDKZCLHOBHS-INIZCTEOSA-N	301.346	1.746	50	20	DDGD	
Cn1ccnc1[C@@H](NS(=O)(=O)CCCCl)C(C)(C)CO	882230202	XYWQBBVPQWMANN-SNVBAGLBSA-N	323.846	1.028	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)C(=O)NNc1ccccc1[N+](=O)[O-]	16202191	YZDSSFHLFSIWTO-UHFFFAOYSA-N	317.305	1.271	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNc2ccnc(Br)c2)CO1	784529065	SCKKCORDKZDCFJ-HTQZYQBOSA-N	300.156	1.712	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)[C@@H]1CCc2nnc(O)n2C1	1120711030	UWZCAPWVWNVAME-SECBINFHSA-N	305.313	1.137	50	20	DDGD	
CCN(CC(=O)NNc1cccc(OC)n1)C(=O)OC(C)(C)C	780770795	UXNTXFZYXCXBJD-UHFFFAOYSA-N	324.381	1.790	50	20	DDGD	
Cc1nn(CC(=O)NNC(=O)CC2CCCC2)c2ncccc12	893802250	UKIJKXSIVLIFBL-UHFFFAOYSA-N	315.377	1.467	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNc2cc(C)nc(C)n2)c1	783325549	MOZKVKGJYRRFFS-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)[C@H]1CCCN1C1CC1	787440744	ODCHPFCBFRRYCT-CYBMUJFWSA-N	323.418	1.160	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccc3nncn3c2)c1	780793046	WCBCEWUVCOYHND-UHFFFAOYSA-N	311.301	1.273	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)c1	788274673	QYEYWOZDYVUQGL-NSHDSACASA-N	315.295	1.991	50	20	DDGD	
CC(C)Cn1cc(NC(=O)C(=O)NNc2ccnc(F)c2)cn1	784847254	WPLHAMLLDOTOOJ-UHFFFAOYSA-N	320.328	1.155	50	20	DDGD	
Cc1nn(CC(=O)NNC(=S)NC(C)(C)C)c(C)c1Cl	899992144	OGIOODKRHVWWSS-UHFFFAOYSA-N	317.846	1.447	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=Cc2cccc(OC)n2)c1	790147926	BYVZKAUENWHXSJ-UHFFFAOYSA-N	315.329	1.871	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCC1(C#N)CC1	797583371	UKZYWDAPBMDZHY-SNVBAGLBSA-N	320.324	1.227	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H](OC)[C@H](C)CC	794865441	XZLBWTQNGGYUJJ-WBMJQRKESA-N	322.405	1.836	50	20	DDGD	
C#Cc1cncc(C(=O)NNC(=O)COc2cccc(C)c2)c1	798150131	GJUWNHWRKYUCAO-UHFFFAOYSA-N	309.325	1.211	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2n[nH]cc2C)cc1	799412131	PRCROJGNKXCUAQ-UHFFFAOYSA-N	302.334	1.121	50	20	DDGD	
CC(C)Oc1ccc(NC(=O)NNC(=O)C(C)C)cc1C(N)=O	797677822	ZEHUHJILVCBJLZ-UHFFFAOYSA-N	322.365	1.381	50	20	DDGD	
O=C(CN1C[C@H]2C=C[C@H]1C2)NNC(=O)c1cccc(Cl)c1	791297407	TVIHCWJVBGKEMG-GWCFXTLKSA-N	305.765	1.361	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)c1ccncc1	799430668	HDYWWJGSNKMPNH-HZMBPMFUSA-N	313.313	1.071	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1ccccc1-n1ccnn1	794903334	GPUCDLVBJXMPAO-UHFFFAOYSA-N	316.365	1.327	50	20	DDGD	
COCCOc1ccccc1C(=O)NNC(=S)NC(C)C	1318026048	QWKOZEDVMAHVEP-UHFFFAOYSA-N	311.407	1.229	50	20	DDGD	
Cc1cc(C)c(CNC(=O)NNC(=O)c2cn[nH]c2)c(C)c1	1328703089	MSTFPVSGOYBXGY-UHFFFAOYSA-N	301.350	1.479	50	20	DDGD	
CN(C(=O)C(=O)NC[C@]1(C)C[C@H]1Br)C1CCC1	1329557036	KKYXNJJFGKAGSW-SKDRFNHKSA-N	303.200	1.287	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1scnc1Cl	1328669438	QQOCLLHVZARBOZ-UHFFFAOYSA-N	321.753	1.529	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc([S@@](C)=O)cc1	1339941995	OOVCRLWZFLRUDW-JOCHJYFZSA-N	323.418	1.179	50	20	DDGD	
COC(=O)c1csc(C(C)=NNC(=O)C2CCOCC2)c1	1330903236	KMRBXPQOULQFNV-UHFFFAOYSA-N	310.375	1.802	50	20	DDGD	
OB(O)[C@H]1CCN(Cc2ccc(F)c(Br)c2)C1	585077711	XOKWFWJTCJTKBJ-VIFPVBQESA-N	301.952	1.637	50	20	DDGD	
CC[C@@H](CSC)N(C)CC(=O)NNC(=O)c1cccs1	777723797	LERYDUJWTFJUEG-JTQLQIEISA-N	315.464	1.583	50	20	DDGD	
COCCN(C)NC(=O)c1ccnc(NC(=O)OC(C)(C)C)c1	1339387969	DNYOIWCBUKGMDX-UHFFFAOYSA-N	324.381	1.652	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2C[C@H]2c2ccco2)cc1	1261840575	OETZSYRNDJDWFE-CHWSQXEVSA-N	300.314	1.853	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](O)CN(C(=O)C2CCC(Cl)CC2)C1	1347717082	OALOPVNWPOHKAH-POSLAHMBSA-N	303.786	1.166	50	20	DDGD	
CC1=NO[C@@](C)(C(=O)NNc2ccccc2S(C)(=O)=O)C1	1346919283	BLLJMRUYXFTCTJ-CYBMUJFWSA-N	311.363	1.088	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CC([C@H](C)O)C2)cc1	1347452469	AGXROWNICIDNPQ-ACLQVGRQSA-N	300.358	1.831	50	20	DDGD	
C[C@@]1(COC(=O)c2cnn3c2OCCC3)C[C@@H]1Br	1526044062	GCSUHQVJRLGXHU-CABZTGNLSA-N	315.167	1.996	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(CC(=O)O)cc2)ncc1C#N	1607579842	JXAHUIPGYANPBK-UHFFFAOYSA-N	310.313	1.646	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)[C@H](C)O1	1609155914	WVJJEZITEMFWNC-IUCAKERBSA-N	300.322	1.150	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@@H]1CCc2c[nH]nc2C1	1602230023	BBEKFNUPUHOIBD-MRVPVSSYSA-N	318.308	1.495	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@H](O)C2CCCCC2)c1F	1602446848	VBDOTVPCIXLISU-ZDUSSCGKSA-N	310.325	1.908	50	20	DDGD	
O=C(O)CNC(=O)NN=C(C[C@H]1CCCO1)c1ccc(F)cc1	1602071166	FIZKMCMKPPMJEC-GFCCVEGCSA-N	323.324	1.483	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCO2)c1cc(C(=O)O)co1	1602991148	XTHQFGKCNWBJLR-UHFFFAOYSA-N	316.269	1.861	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)[C@H]1CC[C@@H](C(=O)O)C1	1601562121	TVLMWSBLTHXXFF-VHSXEESVSA-N	300.318	1.574	50	20	DDGD	
O=C(NN=C1CCSCC1)c1ccc(-c2nn[nH]n2)cc1	1609557231	AZIVXAGOLMIXNV-UHFFFAOYSA-N	302.363	1.480	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2ccccn2)cc1C(=O)O	1600455254	HRMNDYDYKBRNGY-UHFFFAOYSA-N	314.301	1.555	50	20	DDGD	
CS[C@H](C)CNC(=O)NNc1ccc(F)c(C(=O)O)c1	1607388937	GFIPEIYVONTVJM-SSDOTTSWSA-N	301.343	1.902	50	20	DDGD	
O=C(O)[C@@H]1[C@H]2CN(S(=O)(=O)c3ccc(CCl)cc3)C[C@H]21	1608817168	CFJQRDNPBLMVLF-GDNZZTSVSA-N	315.778	1.377	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCC2(C(=O)O)CC2)cc(C#N)n1C	1607525392	VVHGYWKHKQAFPF-XGICHPGQSA-N	312.329	1.093	50	20	DDGD	
O=C(O)CSCCNC(=O)NNc1cc(Cl)ccn1	1602099793	MIRIAQGHGWIAMH-UHFFFAOYSA-N	304.759	1.179	50	20	DDGD	
NC[C@H]1CC[C@@H](NC(=O)NNc2ccc(C(=O)O)cc2F)C1	1601183656	FOLBHRCKWFGRSP-WCBMZHEXSA-N	310.329	1.277	50	20	DDGD	
O=C(O)CCCCCCNC(=O)NNc1nc2ccccn2n1	1610768751	INVPPDJDAPTSIV-UHFFFAOYSA-N	320.353	1.391	50	20	DDGD	
C=C(CC(C)C)C(=O)NNC(=O)c1cnc2onc(C)c2c1	1548655002	GKJSTVKGVVYVLY-UHFFFAOYSA-N	302.334	1.895	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2ccc(O)cc2C)c(C)o1	1548615871	PDMKQWZKYYKXMJ-UHFFFAOYSA-N	302.330	1.914	50	20	DDGD	
CC(C)O[C@@H]1CC(=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)C1(C)C	1549321243	RFIZRFUIFYRCSA-KCQAQPDRSA-N	323.437	1.545	50	20	DDGD	
I[C@H]1COC[C@H]1OCC1CCOCC1	158395215	XTTHBDCSKYVJCH-VHSXEESVSA-N	312.147	1.632	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@H]1C=NNC(=O)c1ccon1	1553287558	GGUIJKBNKVBDMP-CMPLNLGQSA-N	303.322	1.384	50	20	DDGD	
CNC1CC(C(=O)NNC(=S)Nc2ccc(C)cc2C)C1	1578595429	YKIKOSMPRYFDJI-UHFFFAOYSA-N	306.435	1.619	50	20	DDGD	
CC(C)C[C@@H](N)C(=O)NNC(=O)c1cc(-c2ccccc2)on1	1573504614	RZFJBCYJQDGCBI-GFCCVEGCSA-N	316.361	1.476	50	20	DDGD	
N[C@@H]1CCC[C@H]1CC(=O)NNc1cncc(Br)c1	1580378538	FCEPWYQMLMHNBI-GZMMTYOYSA-N	313.199	1.805	50	20	DDGD	
COC[C@H](C)C(=O)N1CCCC12CN(C(=O)C(Cl)Cl)C2	1841664519	BPFIGTDMPOKXCV-VIFPVBQESA-N	323.220	1.276	50	20	DDGD	
CC[C@@H](C)[C@@H](NNC(=O)c1cccc2ncccc12)C(=O)O	1594919800	DOAIEIKVLUEPBM-QMTHXVAHSA-N	301.346	1.969	50	20	DDGD	
CN(C)N(C(=O)c1cncs1)c1nc(CC(=O)O)cs1	1598256123	DXPAOKRASJRXKP-UHFFFAOYSA-N	312.376	1.350	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H]1C(=O)NNc1ncc(Cl)cc1Cl	1595182520	UEOSJTGNKFUCJD-RNFRBKRXSA-N	304.133	1.942	50	20	DDGD	
COc1cc(C(=O)O)ccc1NC(=O)NN=c1cc[nH]cc1	1599374739	UXBQPBCXYSOMAW-UHFFFAOYSA-N	302.290	1.359	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(OCCC(=O)O)cc1	1596864869	WXDLBWUYFQQFRB-ZHACJKMWSA-N	304.302	1.923	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=C1CCC[C@H](C(=O)O)C1	1590150756	RHECXMVJTJQKGQ-VIFPVBQESA-N	313.354	1.258	50	20	DDGD	
C[C@]1(C(=O)NCc2ncc(C(=O)O)s2)C[C@@H]1Br	1593756046	AHNQTDTYPHNDAM-WKEGUHRASA-N	319.180	1.631	50	20	DDGD	
C[C@@]1(C(=O)NCc2ccc(C(=O)O)o2)C[C@H]1Br	1593756133	CVALCQDTYMPESU-LDYMZIIASA-N	302.124	1.768	50	20	DDGD	
CCCC[C@@H](NNC(=O)c1cc(Br)c[nH]1)C(=O)O	1595640276	DGCNJESTWRTYFZ-MRVPVSSYSA-N	318.171	1.655	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNC(=O)Cc1cccc2ccccc12	11080262	YHVNFNJJBDVICU-NTCAYCPXSA-N	323.352	1.974	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(C(=O)NCC(C)C)cc1C	162312990	KJPGROSFZQVFFW-UHFFFAOYSA-N	306.366	1.553	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNc2ccccc2Br)cc(C(F)(F)F)c1	160217441	PDQOLRQDDBJHNS-BXUZGUMPSA-N	416.197	4.183	50	20	DDGD	
Nc1c(C(=O)NNc2ccncc2Cl)cccc1[N+](=O)[O-]	163114843	XVTWGRFWITXFFS-UHFFFAOYSA-N	307.697	1.982	50	20	DDGD	
CC1(C)C[C@H](NC(=O)NNC(=O)[C@@H]2CCCO2)c2ccccc21	152623756	YHUMGJRKDXHMEU-KBPBESRZSA-N	317.389	1.918	50	20	DDGD	
N#Cc1ccc(NNC(=O)CNC(=O)NCc2ccco2)cc1	155528677	CDBRCLGHIDOEMA-UHFFFAOYSA-N	313.317	1.094	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)COc1ccccc1CC	155090620	IDQIDEFJSWIIOO-UHFFFAOYSA-N	317.389	1.762	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](C)CC1CCCC1	156121452	UPRNIQLFCQYZIT-LLVKDONJSA-N	311.426	1.655	50	20	DDGD	
Cc1cc(NNC(=O)c2cccc(-c3ncn[nH]3)c2)nc(C)n1	157263748	ZDAINEWQORPFQJ-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=S)NCC(F)(F)F	49519351	DIINJKDFHZTBAG-UHFFFAOYSA-N	305.325	1.595	50	20	DDGD	
Cc1[nH]c2c(C(=O)NNc3ccc(C(N)=O)nn3)cccc2c1C	154321023	ZRWCIESMVGSCFT-UHFFFAOYSA-N	324.344	1.431	50	20	DDGD	
CN(NS(=O)(=O)CCC(C)(F)F)C(=O)OC(C)(C)C	867389839	AVXMAMCDHGTVGS-UHFFFAOYSA-N	302.343	1.733	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NC[C@H](C)C(=O)OC)cc1	101887396	JHFZTXQYFQVCRF-CJAAZZPWSA-N	316.357	1.918	50	20	DDGD	
CONC(=O)NNC(=O)c1ccc(Br)cc1Cl	103517490	CIFKGHWUPNDINX-UHFFFAOYSA-N	322.546	1.608	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@H]1CCCc2ccccc21	108928576	HPYZMXSTVSBDQT-CYBMUJFWSA-N	305.378	1.473	50	20	DDGD	
Cc1ccccc1OCCCNC(=O)NNc1cccnn1	172498375	BHHMJJSENUJZNS-UHFFFAOYSA-N	301.350	1.880	50	20	DDGD	
Cc1ccc(O[C@H](C)C(=O)NNC(=O)Cc2cccnc2)cc1	103425258	SDKXKVSRJXNYMF-CYBMUJFWSA-N	313.357	1.547	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)NC[C@H]1CCOC1	104792117	CFPYLVKQFGSYFZ-GFCCVEGCSA-N	316.361	1.008	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)cc1)NNc1c(F)cccc1F	172446126	BSFIYAAKMLHCAN-UHFFFAOYSA-N	323.274	1.977	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)CCC2CCC2)C[C@@H](C)O1	175000928	BCPNPPNSEWIOHQ-BETUJISGSA-N	311.426	1.213	50	20	DDGD	
O=C(NCc1ccncc1)NNC(=O)c1cc2ccccc2o1	175499104	HWZCWUXJARHJNM-UHFFFAOYSA-N	310.313	1.972	50	20	DDGD	
O=C(NNC(=O)c1cnc(-c2ccccn2)s1)c1ccc[nH]1	170777705	SUMIBQZKKIGARM-UHFFFAOYSA-N	313.342	1.608	50	20	DDGD	
COc1ccnc(NNC(=O)c2cccnc2NC(C)C)n1	118769064	KJSJRDUQOTVSPT-UHFFFAOYSA-N	302.338	1.457	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1cc(Br)c[nH]1	114895815	UFFQPROQYODLSF-UHFFFAOYSA-N	316.546	1.978	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)CCc1ccccn1	61474923	SAVFICPIZDFAEV-UHFFFAOYSA-N	313.357	1.631	50	20	DDGD	
Cc1ccc(C)n1-c1c(C(=O)NNc2ncccn2)cnn1C	63739917	PJTIOJLRRUWLEO-UHFFFAOYSA-N	311.349	1.375	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NNC(=O)N1CCOCC1	178648338	LJRGCCHZRDSQQM-GHMZBOCLSA-N	309.391	1.233	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cnc(-c2ncccn2)s1	124288681	OFVIJZOMRLRXAV-UHFFFAOYSA-N	305.363	1.407	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)Nc1ccccc1	176361478	ZUSOZULTUIVHFT-UHFFFAOYSA-N	309.329	1.730	50	20	DDGD	
CCn1c(NNC(=O)c2cnsn2)nc2ccccc2c1=O	129102870	ULTAFRZWVWORRP-UHFFFAOYSA-N	316.346	1.025	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	124530512	TZEUXLJIBJAILQ-CABZTGNLSA-N	314.382	1.882	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@H]1C[C@@]1(C)C(C)C	188293063	YJPZKYONRDQLPL-PXAZEXFGSA-N	319.405	1.937	50	20	DDGD	
O=C(NCc1cccc(Cn2cccn2)c1)NNc1cccnn1	77349107	HIQSVFFZPIWPAW-UHFFFAOYSA-N	323.360	1.548	50	20	DDGD	
CCOCCCn1c(NNC(C)=O)nc2ccccc2c1=O	70889258	RMFYNKLNZOMUBJ-UHFFFAOYSA-N	304.350	1.286	50	20	DDGD	
CN(C)c1cc(C(=O)NNC(=O)c2ccc(Cl)nc2)ccn1	77249237	SUEKZWWTYLJZCV-UHFFFAOYSA-N	319.752	1.271	50	20	DDGD	
Cc1ccc(Cl)cc1NC(=O)NN[C@@H]1CCS(=O)(=O)C1	122024747	JDMHQGLPJQXEFR-SNVBAGLBSA-N	317.798	1.462	50	20	DDGD	
CC(=O)NC1(C(=O)NNc2nnc(C3CC3)s2)CCCCC1	184456018	PMEHDHGEGJKXLU-UHFFFAOYSA-N	323.422	1.698	50	20	DDGD	
N#C/C(=C\c1cnn(-c2ccccc2)c1)S(=O)(=O)NC1CC1	188036565	LHBJUSNAQQAPOD-OVCLIPMQSA-N	314.370	1.819	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1coc(C)c1	189110109	FDOGRJUYOOFKRH-UHFFFAOYSA-N	302.330	1.990	50	20	DDGD	
O=C(NNS(=O)(=O)CCC1CC1)c1ccc2ccccc2n1	129917932	UVSPSELHJPIHOE-UHFFFAOYSA-N	319.386	1.599	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)Nc2cc(C)on2)c1	73117801	TUNNCGOUKJDBBW-UHFFFAOYSA-N	318.333	1.832	50	20	DDGD	
CC(C)c1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)cc1	180968132	CFHIVXDEYCBOKI-UHFFFAOYSA-N	305.378	1.942	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2c(F)cc(F)cc2F)[nH]n1	186251090	OSEGACAPOURMFZ-UHFFFAOYSA-N	313.239	1.602	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)Cc1ccccc1F)[C@H]1CCCO1	133148854	CKSIFRXJOQXOSZ-ZIAGYGMSSA-N	323.368	1.656	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C(C)(C)C#N)cc1	42127725	BJIVNMZSKUMQRL-NSHDSACASA-N	319.361	1.550	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CCc1cscn1	195318460	FUUNCPZJBBIONM-UHFFFAOYSA-N	319.386	1.474	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cc(F)cc2[nH]cnc12	191903455	DEGHIWOHBMFCLP-UHFFFAOYSA-N	311.280	1.502	50	20	DDGD	
Cc1onc(-c2ccncc2)c1C(=O)NNC(=O)c1cccnc1	133662415	SOMBUWLRCCJHBO-UHFFFAOYSA-N	323.312	1.515	50	20	DDGD	
CCCc1noc(CCCC(=O)NNC(=O)c2ccc(C)o2)n1	84374052	BEBCUEZLYFBXFA-UHFFFAOYSA-N	320.349	1.707	50	20	DDGD	
CNS(=O)(=O)c1cccc(C(=O)NN(C)c2ccccc2)c1	198156150	QQHPZEIRAQKTLL-UHFFFAOYSA-N	319.386	1.376	50	20	DDGD	
CC(C)COCCCNC(=O)NNC(=O)c1ccccc1O	45159067	SYWAWTBDLIRYBL-UHFFFAOYSA-N	309.366	1.399	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1F)N(C)C	82991504	MESPLJCYUZNJKC-GFCCVEGCSA-N	315.776	1.826	50	20	DDGD	
O=C(C[C@@H]1CCCCO1)NNC(=O)c1cc(Cl)ccc1O	88281359	NOTPVVYZAHXGIV-JTQLQIEISA-N	312.753	1.766	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1cc([N+](=O)[O-])ccc1OC	193714937	DMEFCJZPLSGFRZ-PKNBQFBNSA-N	305.290	1.664	50	20	DDGD	
O=C(CCNC(=O)c1cccs1)NNC(=O)CC1CCCC1	195220258	GDWVADVMQLEWLW-UHFFFAOYSA-N	323.418	1.596	50	20	DDGD	
CC[C@H]1CN(C(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)CCO1	147308113	ZQZKWPPTDNGAHE-VFXTVZEFSA-N	312.373	1.750	50	20	DDGD	
O=C(/C=C\c1cncc(F)c1)NNC(=O)Cc1ccccc1F	255563388	GCACNAKLSMWMPQ-WAYWQWQTSA-N	317.295	1.763	50	20	DDGD	
COc1ccccc1C=NNC(=O)CNC(=O)c1ccco1	254905913	NEVOREKPMVYPSP-UHFFFAOYSA-N	301.302	1.168	50	20	DDGD	
Cn1ncc2c(O)nc(/C=C\c3cnn(CCCl)c3)nc21	255773245	MWGBXVIDWDWEJR-IHWYPQMZSA-N	304.741	1.675	50	20	DDGD	
O=C(Cc1cc(Cl)c2c(c1)OCCO2)NNC(=O)C1CCC1	264672622	HAIFMWVQZDYFCY-UHFFFAOYSA-N	324.764	1.601	50	20	DDGD	
CO[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)Cc1ccccc1F	266557254	MGPYVNNUFDQHEZ-ZIAGYGMSSA-N	323.368	1.656	50	20	DDGD	
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1cccnn1	265544170	OJSUYDJIVKNKLL-NSHDSACASA-N	309.370	1.469	50	20	DDGD	
Cc1ccc(OCCCNC(=O)NNC(=O)C2CCC2)cc1	264680504	AKFYOJWFBIFGTK-UHFFFAOYSA-N	305.378	1.894	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CC[C@@H](CC)O2)c1	268253731	PXOOHUYSHPDWGD-KGLIPLIRSA-N	317.414	1.943	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)COCc2ccccc2)CCCOC1	272935602	IYWGXKMLPJUYEX-MRXNPFEDSA-N	306.362	1.167	50	20	DDGD	
NC(=O)Nc1ccc(CNS(=O)(=O)CCCCCl)cc1	275516638	MUKCFPSDLNCBHZ-UHFFFAOYSA-N	319.814	1.616	50	20	DDGD	
CC(C)(O)CCNC(=O)NNC(=O)CCCc1ccccc1	274869257	XGRXRISPCVPYSG-UHFFFAOYSA-N	307.394	1.501	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNc2cccc(S(C)(=O)=O)c2)O1	272061474	WTPUHICHZFDNOR-YPMHNXCESA-N	312.391	1.491	50	20	DDGD	
CCc1cccc(C)c1NC(=O)C(=O)NNC(=O)C1CCC1	274144591	XXEYYVWCSJQRAC-UHFFFAOYSA-N	303.362	1.443	50	20	DDGD	
COC(=O)c1ccc(C)c(NC(=O)CN2CC=C(C#N)CC2)c1	272657661	OAKLLUZFLNPBAD-UHFFFAOYSA-N	313.357	1.876	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(SC)ccc1C	274071276	OECNJCLBHXFYAU-VIFPVBQESA-N	323.418	1.849	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc2c(cc1F)NC(=O)CC2	275988609	DSGALXBBVZKINT-UHFFFAOYSA-N	323.328	1.408	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CCn2cnnc2[C@H]1C	276742945	YLPXZGHGNXJHHX-LLVKDONJSA-N	314.349	1.018	50	20	DDGD	
O=C(NCC(Cl)Cl)c1cc(N2CCOCC2)ccn1	288783847	DSQXGZVFGUCKJT-UHFFFAOYSA-N	304.177	1.452	50	20	DDGD	
O=S(=O)(CCCCCl)NC[C@H]1COC2(CCCC2)O1	376967104	JVUOFRYJCHFOGR-NSHDSACASA-N	311.831	1.611	50	20	DDGD	
CCOc1cc(C(=O)NN(C)C(=O)OC)cc(Cl)c1O	286295233	JMMQOIMPKFARAP-UHFFFAOYSA-N	302.714	1.787	50	20	DDGD	
CCCNC(=O)/C(C#N)=C\c1ccc(O[C@H](C)C(=O)O)cc1	285442559	PPVBIPAJHAJXBY-NASPGAHYSA-N	302.330	1.972	50	20	DDGD	
COCC1(C(=O)NNc2nnc(-c3ccccn3)s2)CCC1	285519910	AAIODGVWEBCRLQ-UHFFFAOYSA-N	319.390	1.860	50	20	DDGD	
COCCN(C)NC(=O)c1cc(-c2cccc(OC)c2)n[nH]1	288465143	KFUDMGAHNQJUDL-UHFFFAOYSA-N	304.350	1.308	50	20	DDGD	
CC(C)c1nn(C)cc1C(=O)NNC(=O)NCc1ccco1	299225867	CBCMHJRCYBHSFM-UHFFFAOYSA-N	305.338	1.281	50	20	DDGD	
CC[C@H]1CCCC[C@H]1OCC(=O)NNC(=O)N=c1cc[nH]cc1	802030440	FBUHQCOOQBHFEB-GXTWGEPZSA-N	320.393	1.642	50	20	DDGD	
C#CCO[C@@H](C)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)OC)c1	297826350	TWBIXAGXIBWBDG-VIFPVBQESA-N	307.258	1.325	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1	294115548	KCDHRGLGMKPMIR-HNNXBMFYSA-N	319.380	1.738	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)c(C)c1	296569496	STUHJOXDFUCDFX-ZDUSSCGKSA-N	307.350	1.725	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)NC[C@H]2C[C@H]2C)cc1C	298743759	PGLNLLHHYXZMEQ-VXGBXAGGSA-N	318.377	1.228	50	20	DDGD	
O=C(CC1CCCC1)NCC(=O)NNC(=O)Nc1ccccc1	801992581	UOKHYBZTXDZAQK-UHFFFAOYSA-N	318.377	1.536	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)C1=Cc2ccccc2OCC1	296268510	YPBPIUSQZFVBKS-UHFFFAOYSA-N	312.347	1.343	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)cc1Cl	802026010	LHVJHEKARCXJSS-UHFFFAOYSA-N	304.737	1.932	50	20	DDGD	
CC(C)(C)OC(=O)CCCNC(=O)NNc1cccc(F)n1	805167480	JLBMRRKOCQRHHL-UHFFFAOYSA-N	312.345	1.969	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccnc(C(F)(F)F)c1	808384122	AZQDGPHIRUPZDA-UHFFFAOYSA-N	320.271	1.081	50	20	DDGD	
C[C@@H](CN(C)C)NC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	807577215	IEQJFXGUTVWMAY-NSHDSACASA-N	322.413	1.038	50	20	DDGD	
CCC(CC)(CCO)N[C@@H](C)C(=O)NNC(=O)CC(C)C	801587939	YPRUTGFSCFJNIC-LBPRGKRZSA-N	301.431	1.099	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C1(C)CCCCC1	807369362	XDMAGLBUGMZRJY-UHFFFAOYSA-N	300.399	1.893	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)Oc1ccc([N+](=O)[O-])cc1OC	299619167	FWWPFJBPIVDSQA-JTQLQIEISA-N	313.306	1.950	50	20	DDGD	
COCCN(C)NC(=O)CCCc1nc(-c2cccs2)no1	293514900	CLHDQAMHGIVCAM-UHFFFAOYSA-N	324.406	1.730	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCCO1)C(=O)NNC(=O)c1ccccc1	299313422	NCKIWMJOGMMGBY-OCCSQVGLSA-N	306.362	1.422	50	20	DDGD	
CC(C)c1cnc(C=NNC(=O)Cc2cc(O)nc(O)n2)s1	814859961	ILTSMYYKSINLGY-UHFFFAOYSA-N	321.362	1.161	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)CC1)c1cccc2ncccc12	814841721	UTUIPAASPDAWFP-UHFFFAOYSA-N	317.370	1.529	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1COc2cc(C)c(C)cc21	814864913	JTASXIIYZBWPBB-GFCCVEGCSA-N	306.362	1.568	50	20	DDGD	
O=C(COCc1ccccc1)NN=Cc1cnn(CC(F)F)c1	814223386	SGKXXYPNGLJPGP-UHFFFAOYSA-N	322.315	1.815	50	20	DDGD	
CCn1nncc1C(=O)NNC(=O)Nc1ccc(Cl)cc1	816595702	XSWBAZGAOKGIIH-UHFFFAOYSA-N	308.729	1.418	50	20	DDGD	
O=C(NC[C@H]1C[C@H]2C=C[C@H]1CC2)NNC(=O)[C@H]1CCCCO1	817171603	KWMGNZFCAOXOFS-IGQOVBAYSA-N	307.394	1.488	50	20	DDGD	
O=Cc1c[nH]c(C(=O)NNC(=O)c2ccc3ccccc3n2)c1	814682588	NYYVPEXOHXDILO-UHFFFAOYSA-N	308.297	1.450	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@]1(C)CC1(F)F	817707297	IPGBYAMXIYVQGN-CQSZACIVSA-N	312.316	1.821	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1nc2ccccc2n1C)C(C)C	816577666	VPDFEYJETXDECG-CYBMUJFWSA-N	303.366	1.177	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2cnn(CC(F)F)c2)c1	814213549	NAVZYEFQLDJJNI-UHFFFAOYSA-N	322.315	1.986	50	20	DDGD	
CCCCC[C@H](O)CC(=O)NNc1ccc(-c2nn[nH]n2)cc1	825268776	XYMMRDJRGIGRSK-ZDUSSCGKSA-N	318.381	1.641	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC2(CCCCC2)C1	827289575	UHJLSOLGFBAENV-QWHCGFSZSA-N	309.410	1.808	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)CNc2ccc(C)cc2C)nc1	728962358	QJSCBYHRGVJOQK-UHFFFAOYSA-N	322.368	1.553	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccc(C2CC2)nc1O	824436386	AMGKECWKCPKJHO-UHFFFAOYSA-N	320.418	1.574	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H]2CCN(Cc3ccccc3)C2=O)cc[nH]1	827029848	APPZONZGFJFVLV-INIZCTEOSA-N	324.384	1.304	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cccc(N3CCCC3)c2)cn1	828087649	LPNQKLFRIPSAKM-UHFFFAOYSA-N	313.361	1.095	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)/C=C/[C@H]2CCOC2)cc1	493558936	QAQPZMKKIZJQTR-LVDDQXARSA-N	304.346	1.114	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(CN(C)C(=O)C(C)C)cc1	823860440	SHKKOSKEIOWJJP-UHFFFAOYSA-N	321.421	1.260	50	20	DDGD	
C/C(=C(\F)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)C1CC1	908280714	QQKQLTSASCXRIX-UTEVDWOZSA-N	304.387	1.132	50	20	DDGD	
CC(C)(C)OC1CC(CCNCc2ccc(B(O)O)cc2)C1	585038296	ZDQBVJUAWBTGEQ-UHFFFAOYSA-N	305.227	1.440	50	20	DDGD	
COc1ccc(C(=O)O)cc1C=NNC(=O)[C@@H]1CCCS1	901255045	PVVXTALIKNVVTI-LBPRGKRZSA-N	308.359	1.739	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CC2(O)CCC2)c1C	824131110	OJDMQXXKULZLBX-UHFFFAOYSA-N	307.419	1.926	50	20	DDGD	
CCN(CCO)NC(=O)c1cnc(Cc2ccccc2)s1	823865358	OTEZLKBWQQUMQJ-UHFFFAOYSA-N	305.403	1.693	50	20	DDGD	
Cc1cc(NNC(=O)CCc2ccc(C(=O)O)cc2)nc(C)n1	738461456	DGQUUXUOAUPGDH-UHFFFAOYSA-N	314.345	1.868	50	20	DDGD	
O=C(c1ccc(CCC(F)(F)F)cc1)N1CC[C@H](B(O)O)C1	585066430	OGZOYOLHKDRMRN-LBPRGKRZSA-N	315.100	1.870	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)C(=O)O)c1C	738067899	OEFTXTBRLKDWQW-KSSSLANASA-N	319.361	1.248	50	20	DDGD	
CC[C@@H](C)c1cc(-c2nc(-c3ccc(B(O)O)cc3)no2)on1	585050637	FTALSUZHUIZANT-SECBINFHSA-N	313.122	1.585	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)C[C@@H]1CC[C@H]2C[C@@H]12	497250117	HAMCKFMVEYBUJD-GARJFASQSA-N	311.382	1.095	50	20	DDGD	
O=C(CCC1CCCCC1)NNC(=O)c1ccnc(C(=O)O)c1	833096496	LWPUCFODWKOHDR-UHFFFAOYSA-N	319.361	1.901	50	20	DDGD	
CC(C)(CS(C)(=O)=O)NC(=O)/C(C#N)=C/c1ccc(O)cc1	491009244	JMOFWKLQPKOLLM-XYOKQWHBSA-N	322.386	1.239	50	20	DDGD	
Cc1cccc(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1C	731152111	WQDWPJYUKROWST-ZDUSSCGKSA-N	309.391	1.124	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C)nc1C1CC1	838340060	RGFMRAGNOMVQAP-SNVBAGLBSA-N	319.361	1.370	50	20	DDGD	
CN1CCCC[C@@H]1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	732258213	JFTBOTRJKGTDNR-GNFNDJEDSA-N	319.449	1.835	50	20	DDGD	
O=C(NNc1ccc(Br)cc1F)[C@@H]1C[C@H]1[N+](=O)[O-]	839709624	SEIXAPQRHVOTFU-HZGVNTEJSA-N	318.102	1.697	50	20	DDGD	
CO[C@@H]1CC(=NNC(=O)CNC(=O)c2ccco2)C12CCC2	834953021	UIOKAGVUIDIEOV-GFCCVEGCSA-N	305.334	1.071	50	20	DDGD	
Cc1cc(NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ncn1	734255435	GIUXPKSXOSRDIQ-UHFFFAOYSA-N	318.249	1.358	50	20	DDGD	
CC(=O)NN=C(C)c1cnn(-c2ccc(-c3nn[nH]n3)cc2)c1C	735480835	BLCBGDJACXKASN-UHFFFAOYSA-N	324.348	1.221	50	20	DDGD	
CC(=NNC(=O)NC(C)C)[C@H]1CN(Cc2ccccc2)CCO1	735614277	RJDNZMSYNXOHCX-MRXNPFEDSA-N	318.421	1.971	50	20	DDGD	
CC[C@@H](OC1CCCCC1)C(=O)NNC(=O)[C@H]1CCCCO1	833246597	NNQYKRDCSVMKID-ZIAGYGMSSA-N	312.410	1.831	50	20	DDGD	
O=C(COc1cccnc1)NNC(=O)NCCc1cccs1	732063380	OSEQGMVWCMLZCA-UHFFFAOYSA-N	320.374	1.095	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=Cc1ccnc(OC)n1	834921917	JYMCKGFXAZTQFO-UHFFFAOYSA-N	314.345	1.577	50	20	DDGD	
C[C@@H]1CC=C(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)CC1	836789143	HPNLSKNLFGJUBA-DGCLKSJQSA-N	300.424	1.225	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc(Cl)nc1C	901964540	NCYRGUAHTNWHCW-UHFFFAOYSA-N	315.782	1.156	50	20	DDGD	
CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@H]1C	834944439	QTLWXMDNFHMWQX-RTXFEEFZSA-N	315.439	1.675	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCc1ccc(NC(=O)O)cc1	736241249	JIBRMWNHLFJKEF-UHFFFAOYSA-N	322.365	1.696	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)Nc1ccc2c(c1)OCO2	834983104	JSHNVYUNCGYBMS-UHFFFAOYSA-N	316.321	1.491	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@H](C(=O)NNC(=O)C2CCC2)C1	732141804	QKNDXSJUZXFYMF-LBPRGKRZSA-N	309.410	1.219	50	20	DDGD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NCB(O)O)c2C)c1	585062192	RMWVXUIUANXMJM-UHFFFAOYSA-N	300.167	1.453	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1F	837689158	LLAZISPPIPZGFN-UISBYWKRSA-N	308.309	1.623	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCC(C)CC1)c1cnn(C)n1	834933830	RORQXWNDKLIXJA-GFCCVEGCSA-N	306.414	1.023	50	20	DDGD	
Cn1c(=NNC(=O)NCCOCC2CC2)sc2ccccc21	731045705	GPGAPAPMEQJEOC-UHFFFAOYSA-N	320.418	1.781	50	20	DDGD	
O=C(NN=Cc1ccc(O)c(O)c1O)c1ccc(O)c(Cl)c1	734094349	MHEDTXLRSSAQAK-UHFFFAOYSA-N	322.704	1.926	50	20	DDGD	
COCCN(C)NC(=O)Cc1ccc(NC(=O)C2CC2)cc1	837623740	MZPNFNYBXGXPNU-UHFFFAOYSA-N	305.378	1.187	50	20	DDGD	
O=C(CN1CCCC1=O)NNC(=O)/C(F)=C/C1CCCCC1	913732677	FOWLXJWRYVFEIT-XFXZXTDPSA-N	311.357	1.190	50	20	DDGD	
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NN(C)C[C@H](C)O	910166969	AMEOXCNOWFXACH-WFASDCNBSA-N	305.378	1.305	50	20	DDGD	
O=C(NNC(=O)C1(c2c(F)cccc2F)CCC1)c1ncon1	832830901	WKAJEEVZLQGKST-UHFFFAOYSA-N	322.271	1.231	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@H](C)C[C@H](C)N)cc1F	831224083	WEWIMFPELNRCEA-DTWKUNHWSA-N	312.345	1.364	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ncon1	832825928	MAIIGEKCCXEBEH-NKWVEPMBSA-N	306.244	1.199	50	20	DDGD	
O=C(CN1CSCCSC1)NNc1ncc(Cl)cn1	912825477	ARLKDECSCXQPQU-UHFFFAOYSA-N	319.843	1.270	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@@H]1CC12CCOCC2	836612098	IQHBYKQAMLSIHA-CYBMUJFWSA-N	318.377	1.900	50	20	DDGD	
COC[C@@H](C)OC(=O)/C(C#N)=C/c1ccc(S(C)(=O)=O)cc1	918154458	OGIQJYDJGKGLSE-KAQJVSAMSA-N	323.370	1.575	50	20	DDGD	
O=C(NNC(=O)[C@@H]1Cc2cc(F)ccc2O1)c1ccccc1F	740634955	PTUICHOOBZWFIG-AWEZNQCLSA-N	318.279	1.730	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H]2CCO[C@@H](C)C2)cc1	846377584	GOYAJNZARQDWDO-WCQYABFASA-N	306.362	1.660	50	20	DDGD	
CCCCNC(=S)NNC(=O)[C@@H](C)CN1CCCCCC1	747726670	XVMRSSLSIKQMGD-ZDUSSCGKSA-N	314.499	1.794	50	20	DDGD	
O=C(CC1(Cn2cnnn2)CCCCC1)NNc1ccccn1	845918875	UAOVPFPZXYWVPD-UHFFFAOYSA-N	315.381	1.552	50	20	DDGD	
CCC(=NNC(=O)CNc1ccccc1F)c1cnn(C)c1	741804986	GPMDPOUVVLOKOB-UHFFFAOYSA-N	303.341	1.902	50	20	DDGD	
CNC(=O)NN=C1CCC[C@@H](N2C(=O)c3ccccc3C2=O)C1	745198104	UPUOEMLGMJGJCB-LLVKDONJSA-N	314.345	1.510	50	20	DDGD	
CNC(=O)c1ccc(C(=O)NNc2ccc(Cl)cc2)cn1	749273588	NUVKKRLGFMUSIG-UHFFFAOYSA-N	304.737	1.852	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1cccc(C(F)(F)F)c1	841002940	JQKJGPLAZSNGNX-UHFFFAOYSA-N	304.272	1.597	50	20	DDGD	
CNS(=O)(=O)c1cccc(C(C)=NNC(=O)CC(C)C)c1	915951795	SJQRHWIWLBDJIH-UHFFFAOYSA-N	311.407	1.481	50	20	DDGD	
C[C@@H]1OC(=O)N[C@@H]1C(=O)NNc1cc(Cl)ccc1Cl	841409284	RRYTXQNDSMSJRC-CDUCUWFYSA-N	304.133	1.933	50	20	DDGD	
NC[C@H]1CC[C@@H](NC(=O)NNC(=O)c2cc3c(s2)CCC3)C1	842010580	MZJFBLIFYXXGQO-GXSJLCMTSA-N	322.434	1.308	50	20	DDGD	
CCC[C@H](C)NC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	745261446	PCSFYZUPMPLQIX-QMMMGPOBSA-N	310.310	1.433	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccc(CCN)cc2)nn1	841926269	BCHBUATXYQTZPH-UHFFFAOYSA-N	300.366	1.113	50	20	DDGD	
CC(CCc1ccc2c(c1)OCO2)=NNC(=O)c1ncccn1	841663785	ZHGDJUGTWSOEAC-UHFFFAOYSA-N	312.329	1.944	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccccc1C(=O)N(C)C	841611146	QULFDITWUHFGTD-UHFFFAOYSA-N	318.421	1.570	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNC(=O)OCC(F)(F)F	912597313	QGSJBXBYSRNEMH-IMTBSYHQSA-N	320.271	1.395	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H]1CCN(C)[C@@H](C)C1	746299555	QMHPWPXWIMFEMD-GWCFXTLKSA-N	312.845	1.951	50	20	DDGD	
C=C(C)CONC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	845591520	XVASLLCTWDBPPU-JTQLQIEISA-N	311.313	1.431	50	20	DDGD	
CCC(C[C@@H](C)CC)=NNC(=O)N[C@H]1CCS(=O)(=O)C1	920384485	LTCOPYQNUXWZOM-JQWIXIFHSA-N	303.428	1.675	50	20	DDGD	
C[C@H](NC(=O)NC[C@@]1(C)C[C@@H]1Br)c1nncn1C	856717800	FYKUPVGNVUBDCC-DKCNOQQISA-N	316.203	1.349	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1scnc1Br	758143478	SKORTYSLMFSUAD-UHFFFAOYSA-N	304.169	1.467	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)Cc2occc2C)c1	856793504	LNAMJTMXVUNMOK-UHFFFAOYSA-N	317.345	1.399	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)Cc3ncc[nH]3)cc2C1	854239975	FOCXAVAYMIJZEZ-VIFPVBQESA-N	318.402	1.600	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(OC)cc1OC(C)C	854919812	GQFYNJXNQLBSDO-UHFFFAOYSA-N	311.407	1.563	50	20	DDGD	
C[C@@]1(CNc2ncccc2S(N)(=O)=O)C[C@H]1Br	856787016	UNPGHACYUXEYGS-SCZZXKLOSA-N	320.212	1.314	50	20	DDGD	
CC1(C)CN(C(=O)C(=O)NN)c2cc(Br)ccc21	850824033	RMFNGXVEUNMBEM-UHFFFAOYSA-N	312.167	1.063	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(C)s1	853388726	RVHAZYTYGXRWPB-OLZOCXBDSA-N	307.419	1.760	50	20	DDGD	
COCCCNC(=O)NN=Cc1sc(N(C)C)nc1Cl	920830462	XFFWKAUGIKNZNA-UHFFFAOYSA-N	319.818	1.532	50	20	DDGD	
CCn1ncc(Cl)c1C(=O)NNc1ccnc(N(C)C)n1	857133354	WQVFBFAPTRWYSI-UHFFFAOYSA-N	309.761	1.169	50	20	DDGD	
CNC(=S)N(C)NC(=O)Cc1ccccc1Br	854923668	DOSKENRSUZEBRU-UHFFFAOYSA-N	316.224	1.459	50	20	DDGD	
O=C(NNC(=O)c1ccc2nc[nH]c2n1)c1ccc(Cl)nc1	755055806	XQMFQDUVPSEWNC-UHFFFAOYSA-N	316.708	1.081	50	20	DDGD	
O=C(CCc1ccncn1)NNc1nc(O)c2ccccc2n1	757670883	MNKAYNKUPLNHAQ-UHFFFAOYSA-N	310.317	1.201	50	20	DDGD	
CCc1nc(NC(=O)NNC(=O)c2c[nH]nc2C)sc1C	756804976	PRRGSPDHNDAURA-UHFFFAOYSA-N	308.367	1.512	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1C(C)=NNC(=O)[C@@H]1CCO[C@@H]1C	853369581	ZVGHGDQORNLLNI-ZWNOBZJWSA-N	321.333	1.869	50	20	DDGD	
O=C(CN1CCCC1=O)NN=CCCCCOc1ccccc1	753955444	MJGIYNKPOVZCQZ-UHFFFAOYSA-N	317.389	1.960	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1nc[nH]c1C(F)(F)F	857487552	HOLBIJVBGWKWOU-UHFFFAOYSA-N	305.647	1.656	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)c1cc(OC)cc(OC)c1	751546897	FSSPALFXZMMZLL-SNVBAGLBSA-N	310.350	1.280	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2nc3c(s2)CCC3)o1	752273375	FRTKNEHWQVRQCO-UHFFFAOYSA-N	306.347	2.000	50	20	DDGD	
C[C@@]1(CN2C(=O)CN(C3CCC3)C2=O)C[C@@H]1Br	857228018	XMPDYFAYLNGXEZ-CABZTGNLSA-N	301.184	1.977	50	20	DDGD	
C[C@H]1C[C@@H](C)C[C@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	852136723	OSWKUXQJZQDSLL-URLYPYJESA-N	308.357	1.989	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)o1	754220165	QMKVSDXZBDAANT-UHFFFAOYSA-N	324.340	1.982	50	20	DDGD	
COCCC(C)(C)C(=O)NNc1ccccc1S(C)(=O)=O	759957007	TWKCVTSFUYSIFO-UHFFFAOYSA-N	314.407	1.596	50	20	DDGD	
CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)NNC(=O)C(C)(C)C	852084103	QAGVWTSBYQYCQO-BONVTDFDSA-N	313.398	1.485	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C	852705916	JBHFGCQGLBALLQ-SNVBAGLBSA-N	316.402	1.228	50	20	DDGD	
COc1ccc2c(c1)CC[C@@H](NC(=O)NNC(=O)CC(C)C)C2	753291770	OVSALMZYIWNLEV-CQSZACIVSA-N	319.405	1.929	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)COC(F)(F)F	934897395	LDZLEKQJVMJXBK-UHFFFAOYSA-N	312.269	1.070	50	20	DDGD	
CCCCc1ccc(C(C)=NNC(=O)CS(C)(=O)=O)cc1	863187599	BQJUNGZUUWOXGM-UHFFFAOYSA-N	310.419	1.914	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(-c2ccc(F)cc2)n(C)n1	935290563	RDKSCFDALQCSIL-UHFFFAOYSA-N	319.340	1.532	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cc(Cl)c(C)c(Cl)c1	763441348	JOCDPAZTWKTTAT-UHFFFAOYSA-N	318.160	1.798	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@](C)(OC)c1ccccc1F	760166714	NGCZJSQRFGKDAS-OAHLLOKOSA-N	311.357	1.818	50	20	DDGD	
CC(C)[C@@H](NS(=O)(=O)CC(C)(C)CCl)c1nncn1C	867257454	PJWNPKHFGYOGQP-SNVBAGLBSA-N	322.862	1.697	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)Nc1ccc2occc2c1	861804181	DPRAVVFLSAXTIN-UHFFFAOYSA-N	301.302	1.319	50	20	DDGD	
COC(=O)[C@@H](NS(=O)(=O)CC(C)(C)CCl)C(C)(C)C	866800557	UGRKQKDPBBCXIU-SECBINFHSA-N	313.847	1.759	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O	867166877	OZHGPKJVKPJUQU-HBNTYKKESA-N	322.858	1.167	50	20	DDGD	
CC[C@@](C)(NC(=O)NNC(=O)[C@H]1CCCCO1)C(F)(F)F	933521373	ZECHACUDCOQJAZ-LDYMZIIASA-N	311.304	1.617	50	20	DDGD	
CC(C)C1(C(=O)NNC(=O)c2cc3ccccc3o2)COC1	934206011	WPIJLMQDQDXCJS-UHFFFAOYSA-N	302.330	1.866	50	20	DDGD	
CC[C@H]1CN([C@H](CC)C(=O)NN=c2cc[nH]c(C)c2)CCO1	862513827	LRNRPEKMKDACEZ-LSDHHAIUSA-N	306.410	1.144	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)Cc2ccco2)c1	767517970	XYOSCOFAUCGNKO-UHFFFAOYSA-N	316.313	1.135	50	20	DDGD	
CC(C)c1cc(C(=O)NNCC(F)(F)C(F)(F)F)n(C)n1	863096302	CICHBSGVBCYNGA-UHFFFAOYSA-N	314.258	1.976	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)CCC1=O	763335186	JXZWEGDOHXIYKZ-ZJUUUORDSA-N	318.329	1.182	50	20	DDGD	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NNC(=O)c1cn[nH]c1	862473143	GCFYPUMXCQMXRR-XBFCOCLRSA-N	322.409	1.648	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CCc2n[nH]cc2C1	765632155	BVYHIMGSCNMMLZ-GFCCVEGCSA-N	313.361	1.220	50	20	DDGD	
CN1CCN(c2ccc(/C=C(/C#N)C(=O)N3CCCC3)cc2)CC1	771519835	BYBMOYPUJXKWCH-VKAVYKQESA-N	324.428	1.968	50	20	DDGD	
CC[C@H](CO)C(=O)NNC(=O)c1cccc(OC(F)F)c1	779764146	GGEBYCUFBTWFLK-MRVPVSSYSA-N	302.277	1.068	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@H](C)CN(C)Cc1ccccc1	775774824	RJNLZRWIYHNQDC-CYBMUJFWSA-N	306.410	1.493	50	20	DDGD	
CCCN1C(=O)C(=NNC(=O)c2cc[nH]n2)c2cc(C)ccc21	872388702	WGGJTZIREXDJNI-UHFFFAOYSA-N	311.345	1.609	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2cccc3c2OCCO3)n1	779375311	SKONEJYCMYYBDV-UHFFFAOYSA-N	321.724	1.240	50	20	DDGD	
O=C(NNc1ccccn1)Nc1cccc(Cn2cncn2)c1	779031859	ZVJIBKYYVZWHOS-UHFFFAOYSA-N	309.333	1.870	50	20	DDGD	
CN(CC(=O)NNC(=O)CCc1ccccc1)CC(C)(C)C	874265463	XIPFDZHEZKUPMK-UHFFFAOYSA-N	305.422	1.745	50	20	DDGD	
CC1=CCC[C@@H](C)[C@H]1C=NNC(=O)CNC(=O)c1cccnc1	773203863	XTABMVQNDFNTLM-HIFRSBDPSA-N	314.389	1.906	50	20	DDGD	
Cc1nc(-c2ccc(C(=O)NNC(=O)CN(C)C)s2)cs1	878681005	BFPVUGBRQVZRMD-UHFFFAOYSA-N	324.431	1.503	50	20	DDGD	
CCOC(=O)/C=C/c1ccc(NC(=O)NN(C)CCOC)cc1	878241089	BCNMWHBLAHTSHQ-JXMROGBWSA-N	321.377	1.878	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)CNC(=O)c1cccc(O)c1	779012673	RKXGPLKCYQTWSL-UHFFFAOYSA-N	317.320	1.713	50	20	DDGD	
CN(C)CCn1ccc(NC(=O)NNc2ccc(F)cn2)n1	878809781	ZRQPYBKDZNLFBM-UHFFFAOYSA-N	307.333	1.127	50	20	DDGD	
Cc1ccc([C@@H](C)CNC(=O)NNC(=O)C2CCNCC2)cc1	1117964888	DPYAWFTTWNUFEJ-ZDUSSCGKSA-N	318.421	1.429	50	20	DDGD	
CCN(C)C(=O)CNC(=O)NNc1cccc(F)c1Cl	875508461	CWUPVQWYMSFLLA-UHFFFAOYSA-N	302.737	1.584	50	20	DDGD	
COCc1cc(NCc2ccc(B(O)O)cc2)ccc1OC	877701929	DGVMQDMIXMJKBD-UHFFFAOYSA-N	301.151	1.134	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)COC(C)(C)C)cc1OC	777878455	XHUKHRYAIPMQQO-UHFFFAOYSA-N	310.350	1.280	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1CCNC(=O)NNC(=O)c1cccnn1	883413063	YBPGIKAIQHSXTR-VXGBXAGGSA-N	305.382	1.637	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1ncccc1O	773640903	IJLLYEGRJOAZOK-UHFFFAOYSA-N	305.265	1.470	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@@H]1OC(=O)c2ccccc21	887139258	HLPNHXHOJLQMCN-ZDUSSCGKSA-N	300.314	1.239	50	20	DDGD	
Cc1ccccc1[C@H](CO)N(C)S(=O)(=O)CBr	885523160	VDMUBDZPTWPETC-NSHDSACASA-N	322.224	1.642	50	20	DDGD	
Cc1cccc(CO[C@@H](C)C(=O)NNC(=O)C2CCOCC2)c1	883072729	WYWBBODPUQMEBI-ZDUSSCGKSA-N	320.389	1.474	50	20	DDGD	
CN(NC(=O)c1ccccc1OCc1cscn1)C(N)=O	778416068	ZBTRKFMIGGRGHH-UHFFFAOYSA-N	306.347	1.377	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1F)[C@H]1CCCCS1(=O)=O	885107565	JORFMEDDKAPLCT-LLVKDONJSA-N	320.773	1.890	50	20	DDGD	
NC1(CNC(=O)NNC(=O)c2cc3c(s2)CCCCC3)CC1	1120577677	HQQGJHGQOYJZSY-UHFFFAOYSA-N	322.434	1.452	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCC23OCCO3)cc1O	882050839	IVIORYMEXPVFGJ-LBPRGKRZSA-N	320.345	1.005	50	20	DDGD	
C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNc1ccc(Cl)cc1F	1124048490	MHJZIKSQXPLDFP-NOZJJQNGSA-N	312.776	1.311	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc([N+](=O)[O-])s1	782225985	MBGKPLJIJLLIAD-UHFFFAOYSA-N	312.351	1.411	50	20	DDGD	
COc1ccc(NNC(=O)CCOc2cccc(C=O)c2)nc1	781533514	GYKVTLHHJLFQDM-UHFFFAOYSA-N	315.329	1.815	50	20	DDGD	
Cn1nc([C@H]2CCCO2)cc1NC(=O)NNc1ccccn1	788724855	LWIFHKQEBHVTIG-LLVKDONJSA-N	302.338	1.815	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1c1ccccc1)C1CCCC1	782527010	MWRXMQDFVJGIKF-OAHLLOKOSA-N	301.390	1.993	50	20	DDGD	
CNC(=O)NNC(=O)c1c(F)ccc(C)c1Br	787165307	SSVRTSLPUMBJCB-UHFFFAOYSA-N	304.119	1.470	50	20	DDGD	
CC[C@@H]1C[C@@H](CC(=O)NNC(=O)NCC(F)(F)F)CCO1	781680915	UCSZXLWQYCMVCD-DTWKUNHWSA-N	311.304	1.474	50	20	DDGD	
CCOC(=O)[C@H](CO)NC(=O)CCCC[C@H]1CCSS1	782758327	HXALQKJUHGWIRJ-QWRGUYRKSA-N	321.464	1.741	50	20	DDGD	
COc1ccc([C@@H](NC(C)C)C(=O)NNC(=O)CC2CC2)cc1	897860044	FAYFFAVTPIPYJI-MRXNPFEDSA-N	319.405	1.682	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)c2cc3c(s2)CCC3)cn1	781592358	ACJHWSYFDKMNPF-UHFFFAOYSA-N	318.402	1.918	50	20	DDGD	
CCNC(=O)CC(=O)NNc1ccc([N+](=O)[O-])cc1Cl	780992716	BQEBTWBGPZKTDO-UHFFFAOYSA-N	300.702	1.218	50	20	DDGD	
CCCO[C@H](C(=O)NNc1nc[nH]n1)c1ccc(F)cc1C	899128273	VAHAPRRSVLPDKR-LBPRGKRZSA-N	307.329	1.863	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2ccc(C(=O)O)cc2Cl)CC1	790175545	GVPSHBVLNVJPCT-UHFFFAOYSA-N	324.768	1.329	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2cc(Cl)cc(Cl)c2)C1=O	791732116	CIFBHUBOEOJRIZ-SNVBAGLBSA-N	302.161	1.915	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C(C)(C)C(F)F)cc1	792628376	HTRLCQMCFXCFTP-UHFFFAOYSA-N	315.320	1.546	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1c(F)ccc(O)c1F	794514922	PONKFDXEFWWPHY-UHFFFAOYSA-N	313.304	1.425	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1	798305561	UZOSKRXUODXHJZ-LBPRGKRZSA-N	322.365	1.000	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCO[C@H](C(C)(C)C)C2)n1	793231947	TVCGTWGOKCLHGR-ZDUSSCGKSA-N	320.393	1.491	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccc(F)c(C#N)c2)c1	790443865	YPEVOBVMWMGUAS-UHFFFAOYSA-N	308.272	1.644	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@H]2Cc3ccc(F)cc32)n1	793799324	FOMSKNZHKHKLCK-VIFPVBQESA-N	307.716	1.634	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccccn1)c1ccc2c(c1)OCO2	794200200	YKUYXNBJDIQZOO-JTQLQIEISA-N	313.313	1.375	50	20	DDGD	
CSSCCNC(=O)NCCCCN1CCN(C)CC1	790667838	AXTRRIVPQDPYKZ-UHFFFAOYSA-N	320.528	1.324	50	20	DDGD	
Cc1noc(C)c1C(C)(C)C(=O)NNc1ccnc(N(C)C)n1	798110545	HXYAXVPICBVPTO-UHFFFAOYSA-N	318.381	1.568	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H](NC(=O)/C(C#N)=C\c2ccc(O)cc2)C1	1303782234	SZGRBBAOMUEZHR-UILUVHTGSA-N	314.341	1.757	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1c[nH]c(Br)c1	1318565097	WXDGMQDUMJPBSQ-UHFFFAOYSA-N	316.546	1.978	50	20	DDGD	
CC[C@H](C)N(C)CCNC(=O)NNC(=O)c1ccc(OC)cc1	1321452093	MXBGERCJZFNTJC-LBPRGKRZSA-N	322.409	1.370	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)NCC2CCC2)C[C@@H]1Br	1328935361	PSSXFAOGQXZGRN-JOYOIKCWSA-N	303.200	1.192	50	20	DDGD	
Cn1cc(C=NNC(=O)C[n+]2ccccc2)c2cc(F)ccc21	1321106583	OUHBRYLLOARXNQ-UHFFFAOYSA-O	311.340	1.755	50	20	DDGD	
COc1cc(F)cc(NC(=O)NNC(=O)CC(F)(F)F)c1	1320425033	SAABWIHIPBVDMK-UHFFFAOYSA-N	309.219	1.939	50	20	DDGD	
CO[C@H]1CCC[C@@H]1C(=O)NNC(=O)c1cccc2cccnc12	1336316443	QLCVLDBYZPLOHY-JSGCOSHPSA-N	313.357	1.811	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1n[nH]c2c1CCCC2)c1ccco1	1339576828	TXRQCUHVNYTUSP-VIFPVBQESA-N	302.334	1.446	50	20	DDGD	
CCn1nc(C(C)C)cc1C(=O)NNc1nc2ccccn2n1	1338931410	OQVUGSWSTBCPDV-UHFFFAOYSA-N	313.365	1.826	50	20	DDGD	
Cc1cccc(C)c1OCCC(=O)NNC(=S)NC(C)C	1337308931	CBANZDFALDTNKS-UHFFFAOYSA-N	309.435	1.976	50	20	DDGD	
CCCN1CCCC[C@@H]1C(=O)NNC(=S)NC(C)(C)C	1331921167	KJDCJNOYMQIRNZ-LLVKDONJSA-N	300.472	1.545	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCC[C@H](C)NC)c1ccccc1	1261376396	OCCMNBJRZFDBTK-GXTWGEPZSA-N	306.410	1.509	50	20	DDGD	
COc1ccc2[nH]c(C)c(C(=O)NNC(=O)c3ccncc3)c2c1	1340878926	YAVBKUXYTKSSNP-UHFFFAOYSA-N	324.340	1.955	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1cnn2c1NCCC2	1347585362	WYBYMCNTYZLLRQ-UHFFFAOYSA-N	313.365	1.513	50	20	DDGD	
CC(=NNC(=O)CCN1CCC(C)CC1)C1CCN(C)CC1	1347629665	ROWOMSBFBNLGMF-UHFFFAOYSA-N	308.470	1.942	50	20	DDGD	
Cc1onc(CO)c1C(=O)NNc1ccc(C(=O)O)cc1F	1600863961	FICRLTPPEWUAOG-UHFFFAOYSA-N	309.253	1.070	50	20	DDGD	
O=C(O)CCNC(=O)[C@]1(c2ccccc2)C[C@@H]1Br	1602015631	BWVJVVIARGCEDJ-GWCFXTLKSA-N	312.163	1.683	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)N2CCOCC2)cc1Cl	1602330990	KNTMLVIUDDAJNO-UHFFFAOYSA-N	311.725	1.414	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(C(=O)O)co2)c(O)c1	1607732369	ZBXKTXLRXNIXKO-UHFFFAOYSA-N	304.258	1.067	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccc(C(=O)O)c(Cl)c1)C(=O)OC	1609885146	XEVCZOVCUQIHDG-QMMMGPOBSA-N	314.725	1.681	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCn1cnc(-c2nn[nH]n2)cc1=O	1603112260	YIDOYBITLGNEEO-UHFFFAOYSA-N	322.445	1.445	50	20	DDGD	
O=C(O)CSCCC(=O)NNc1cc(F)c(F)cc1F	1602098507	AWVCOEVIDRUUQG-UHFFFAOYSA-N	308.281	1.755	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1cc(C(=O)O)cnc1Cl	1608478947	BOQNXUSNYYASHO-UHFFFAOYSA-N	323.696	1.228	50	20	DDGD	
CSSCCNC(=O)Nc1ccnc(-c2nn[nH]n2)c1	1605380852	QRMVLSFOMMIUKQ-UHFFFAOYSA-N	311.396	1.394	50	20	DDGD	
O=C(O)CN(Cc1ccccc1)S(=O)(=O)CCCCCl	1610781443	BNIJUIIUYMRKEZ-UHFFFAOYSA-N	319.810	1.922	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCO[C@H]1c1ccnn1C)c1cnc[nH]1	1549316656	SPZXNJAEAXVQHK-SMDDNHRTSA-N	316.365	1.151	50	20	DDGD	
O=C(CCc1ccccc1O)NN=Cc1cc(C(=O)O)co1	1610659539	CJTAZWJQTRHZHI-UHFFFAOYSA-N	302.286	1.766	50	20	DDGD	
C[C@@H]1COCCC1=NNC(=O)[C@H]1CCCO[C@@H]1c1ccnn1C	1549320768	PNRGUSIQPDWTAF-XUJVJEKNSA-N	320.393	1.416	50	20	DDGD	
CC(=O)N1CC[C@H](CNC(=O)[C@H](F)Cl)[C@H]1c1cccnc1	1808310858	KJAXVVSSGZMWOS-UPJWGTAASA-N	313.760	1.642	50	20	DDGD	
Cn1cccc1C(=O)NN=C[C@@H]1CCCO[C@@H]1c1nccn1C	1552452396	LFFXMUCKUKCUHP-JSGCOSHPSA-N	315.377	1.642	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H](C(C)C)[C@@H](C)N)c1	1579581202	JVWLPAZQMGYARU-CZUORRHYSA-N	321.421	1.449	50	20	DDGD	
NCCNC(=O)NNC(=O)/C=C/c1ccc(F)c2ccccc12	1580311079	FHSVUCLGBVWPSN-SOFGYWHQSA-N	316.336	1.281	50	20	DDGD	
N[C@@H]1C[C@@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1Br	1580398672	OKHJWJFADWZYSR-POYBYMJQSA-N	315.127	1.148	50	20	DDGD	
CSSCCNC(=O)c1cccc(OCC(=O)O)c1	1599805119	ZPPASOKMDJKGGS-UHFFFAOYSA-N	301.389	1.891	50	20	DDGD	
COc1cncc(NC(=O)NNc2ccc(CC(=O)O)cc2)c1	1599727365	XPKVNLQMLRJEKR-UHFFFAOYSA-N	316.317	1.866	50	20	DDGD	
Cc1cc(NNC(=O)c2cccc(-c3nn[nH]n3)c2C)ncn1	1592054098	PGAIBDPTIIMDPS-UHFFFAOYSA-N	310.321	1.030	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)cc(C)c1C(=O)NNC(=O)C(C)(C)C	1591838676	JPDJGODZYCRDTG-UHFFFAOYSA-N	316.365	1.291	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H]1CCC[C@@H]1C(=O)O	1594486408	VGKIMVRLWLNSCD-WDEREUQCSA-N	313.785	1.722	50	20	DDGD	
O=C(NCc1ccco1)NN=Cc1cccc(F)c1C(=O)O	1776039121	OBJAWHVFQCYTBH-UHFFFAOYSA-N	305.265	1.950	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1OC	1776129285	BSJFMPGSAXFFGH-MDWZMJQESA-N	318.329	1.453	50	20	DDGD	
O=C(O)CCOc1cccc(C=NNC(=O)c2nccs2)c1	1776109646	SWLCBZDJVAQUKS-UHFFFAOYSA-N	319.342	1.761	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(CC(=O)NNC(=O)c2ccc(F)cc2)C1	18708758	JKJPJMBMVFWBFB-TXEJJXNPSA-N	307.369	1.565	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)COc2ccccc2CC)co1	161166629	QVOJOXAWJSBCEP-UHFFFAOYSA-N	317.345	1.639	50	20	DDGD	
CCCN(CC(=O)NNC(=O)c1cccc(C#N)c1)CC(F)F	165339004	FATCDTOLVBGTFT-UHFFFAOYSA-N	324.331	1.296	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1F	151212168	VDGYJOAZUXYPER-ZETCQYMHSA-N	316.716	1.439	50	20	DDGD	
Cn1c(=O)[nH]c2ccc(C(=O)NNc3ccccc3F)cc21	152739822	GCFXHLITQFGAML-UHFFFAOYSA-N	300.293	1.763	50	20	DDGD	
Nc1ccc(C(=O)NNc2ncccc2[N+](=O)[O-])cc1[N+](=O)[O-]	153184616	HGBBOKHXYYXAJA-UHFFFAOYSA-N	318.249	1.237	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)CCOc2ccccc2)[nH]n1	153201768	MCOYLHGOMCBWCO-NSHDSACASA-N	316.361	1.584	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNc1cc(F)cc(OC)c1	156851439	CKXSXJAJSYKCNI-UHFFFAOYSA-N	311.357	1.974	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1cccc(-c2nnnn2CC)c1	159626522	RIOZNBVXNVGWPY-BENRWUELSA-N	312.333	1.742	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(C(C)(C)C)nn2C)nc1	159369199	RBPGUKSQVQMAAP-UHFFFAOYSA-N	303.366	1.878	50	20	DDGD	
Cc1csc(=O)n1CCN(C)NC(=O)OCc1ccccc1	859386926	JANSFKNZAQDTIU-UHFFFAOYSA-N	321.402	1.991	50	20	DDGD	
CCn1c(NNC(=O)c2cscn2)nc2ccccc2c1=O	103067294	YGSQWQPXOOUXSI-UHFFFAOYSA-N	315.358	1.630	50	20	DDGD	
O=C(O)[C@H]1CC[C@H](CNS(=O)(=O)CBr)CC1	309539583	DNEYTFYKRUFZCZ-ZKCHVHJHSA-N	314.201	1.149	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)CC(C)(C)C)ccc1F	105592160	BVWVUSGBBHGLOI-UHFFFAOYSA-N	302.371	1.880	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCNC(=O)c1ccccc1Cl	178955954	ORTVHYPCNXZVJP-ZHACJKMWSA-N	321.764	1.630	50	20	DDGD	
C[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)NC1CCCCC1	171330094	HWVJKLVTUWYVPZ-JTQLQIEISA-N	322.365	1.061	50	20	DDGD	
CCc1nc(CC(=O)NNC(=O)c2ccc(Cl)nc2)cs1	55285065	QTPHLPGVONEIQX-UHFFFAOYSA-N	324.793	1.758	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@@H]1CCN(c2ncccc2F)C1	119461751	XVGXCDPBJQZWIB-SNVBAGLBSA-N	323.372	1.176	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)c2ccc(Cl)cc2)on1	64230670	UBUKQMIQSPKJSH-UHFFFAOYSA-N	308.725	1.781	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccc(C)o2)ccc1[N+](=O)[O-]	175826940	MSUPUTZIMSAXNW-UHFFFAOYSA-N	319.273	1.580	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cc(C)ccc1O	67434638	YCMSEUVCPGTIBQ-UHFFFAOYSA-N	300.314	1.784	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNC(=O)Cc1cn2ccccc2n1	173876746	LMLPROWJJPQWKU-LBPRGKRZSA-N	318.377	1.229	50	20	DDGD	
O=C(NC[C@@H]1C[C@H]1c1ccccc1)NNC(=O)[C@@H]1CCCO1	111890792	VOGSCRKXHWHLCM-IHRRRGAJSA-N	303.362	1.300	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2cccnc2)cc1C	24828597	JKYUFMPAPZLBBZ-UHFFFAOYSA-N	314.345	1.930	50	20	DDGD	
COC[C@H](NC(=O)NNc1ccc(C)nn1)c1ccc(C)o1	175678124	KHNSLHSEHYVQOF-NSHDSACASA-N	305.338	1.700	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC[C@@H]1CCCO1)c1ccccc1	65146548	FSXXOADBQSKDJZ-KBPBESRZSA-N	305.378	1.690	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)NCC2CC2)c1C	65192237	GOHHZNLOPMOBOS-UHFFFAOYSA-N	305.378	1.813	50	20	DDGD	
C[C@H]1CN(C(=O)c2ccc(CNC=C(C#N)C#N)cc2)C[C@@H](C)O1	63442105	PVCKBOSTSFFJAT-OKILXGFUSA-N	324.384	1.957	50	20	DDGD	
O=C(CCn1cc([N+](=O)[O-])cn1)NNc1nnc(C2CC2)s1	184517033	ARWGGLQMZADYQB-UHFFFAOYSA-N	323.338	1.054	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCOCc1ccc(OC)cc1	180275039	DCQXJWWGOQPZPM-WYMLVPIESA-N	304.346	1.772	50	20	DDGD	
CCc1onc(C)c1NC(=O)NNc1cc(Cl)nc(N)n1	189815350	JILPXTPXZDZFBT-UHFFFAOYSA-N	311.733	1.720	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)CCCc2ccccc2)cn1	74564445	AXMPLOFUVRILMU-UHFFFAOYSA-N	300.362	1.687	50	20	DDGD	
CN(CCCNC(=O)NNc1cccnn1)c1ccccc1F	77349121	YFPNJWGXMFEULY-UHFFFAOYSA-N	318.356	1.768	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1Cl	124794770	JJCMFEHFMSQZDA-SECBINFHSA-N	311.769	1.780	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C2CC2)c1OC(F)F	72967641	IVCLLLAHAVDSTR-UHFFFAOYSA-N	300.261	1.468	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)Cc1cccc(F)c1	77230248	AYPCWALOYJXKFQ-UHFFFAOYSA-N	316.332	1.854	50	20	DDGD	
C[C@H]1CC(=O)CC[C@@H]1C(=O)NNC(=O)CCc1ccccc1	129492359	BRAPUBMGCSVDRP-WFASDCNBSA-N	302.374	1.772	50	20	DDGD	
CS(=O)(=O)Cc1cccc(C(=O)NNc2ccccc2)c1	72728055	HAZCKJGJFLEUAE-UHFFFAOYSA-N	304.371	1.988	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)CO)c1cccc(C(F)(F)F)c1	182745584	PUABTDIMXLOJDT-MRVPVSSYSA-N	304.268	1.339	50	20	DDGD	
COc1cc(CCC(=O)NNc2cccnn2)cc(OC)c1	77031063	IJPCSUZGHYSFIO-UHFFFAOYSA-N	302.334	1.570	50	20	DDGD	
Cc1ccc(-c2nc(C)c(C(=O)NNC(=O)CN(C)C)s2)o1	75653542	VNDIRQPMUCMREV-UHFFFAOYSA-N	322.390	1.343	50	20	DDGD	
CC(C)OCCNC(=O)NNC(=O)Cn1ccc2ccccc21	183337123	USBFIFUPOHCYDF-UHFFFAOYSA-N	318.377	1.397	50	20	DDGD	
CN(NC(=O)c1cccc(NC(=O)c2cccs2)c1)C(N)=O	181070686	QTBQVBJQOBZTCL-UHFFFAOYSA-N	318.358	1.656	50	20	DDGD	
CCC1(C(=O)NNC(=O)C(=O)Nc2ccccn2)CCCCC1	184204917	WKHJJRRYIWRWFA-UHFFFAOYSA-N	318.377	1.528	50	20	DDGD	
CCOC(C)(C)CNC(=O)NNC(=O)Cc1ccc(F)cc1	187627052	SQGWUZASFODNHL-UHFFFAOYSA-N	311.357	1.514	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc(-c2ccncc2)on1	120531780	DYLDESVZVYCNBY-UHFFFAOYSA-N	311.301	1.150	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NC[C@@]2(C)CCCO2)nn1	126381358	OYIAZWUCKZXYAF-OAHLLOKOSA-N	307.398	1.969	50	20	DDGD	
CNC(=O)[C@@H]1CCCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1	182732435	BUVQMIQFQUTVPJ-CKXDQPNJSA-N	315.348	1.717	50	20	DDGD	
CCn1nc(C)c(NC(=O)NNc2nc3ccccn3n2)c1C	190109785	XUWLAVKKZFSCKA-UHFFFAOYSA-N	314.353	1.711	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@@H]1CSCCS1	194775498	DQHVECISQXWZPI-LBPRGKRZSA-N	310.444	1.615	50	20	DDGD	
CCN(C(C)=O)c1nc(/C=C(\C#N)C(=O)OCCOC)cs1	45615592	SCDJFYCVDCBZMX-YRNVUSSQSA-N	323.374	1.612	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cccc(F)c2C)ncn1	190134110	IASNOFRNKUBLCP-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cc2ccc(Cl)cc2[nH]1	194897412	VVXQUFWNLSXZSD-UHFFFAOYSA-N	322.752	1.508	50	20	DDGD	
CC(C)n1cc(C(=O)NNc2nc(-c3ccncc3)no2)cn1	190826784	MRJXVKQYTDQDMB-UHFFFAOYSA-N	313.321	1.666	50	20	DDGD	
O=C(C[C@H]1CCCOC1)NNc1nc(-c2ccccc2)no1	193214668	ZDHPUHNWBOSAHK-LLVKDONJSA-N	302.334	1.996	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCC2CCOCC2)cc1	194805971	ANUNFARFNRKBJT-UHFFFAOYSA-N	305.378	1.620	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccn(Cc2ccccc2)n1	92430267	QNCQSHJCWITQCE-UHFFFAOYSA-N	303.322	1.714	50	20	DDGD	
O=C(/C=C\c1ccco1)NNC(=O)[C@H]1COc2ccccc2O1	96543694	KRNJUUGDCPPBEI-WBTMPAOCSA-N	314.297	1.280	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccnc1)c1ccc(C)cc1	254593797	PHUUXXSDVZKWLT-UHFFFAOYSA-N	310.357	1.660	50	20	DDGD	
Cc1onc(-c2ccccn2)c1C(=O)NNC(=O)CC(C)C	268714138	FYVFPZNTIRCYDS-UHFFFAOYSA-N	302.334	1.852	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1csc(-c2cnccn2)n1	263985592	GDOHJOXWUREXNP-UHFFFAOYSA-N	305.363	1.407	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1C1CC1)c1c[nH]c2ccccc12	279658392	CTSKBKFGCKCEIZ-HNNXBMFYSA-N	312.373	1.556	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)C1(O)CCCCC1	271124314	LKENSFGOEXAXLW-UHFFFAOYSA-N	324.402	1.327	50	20	DDGD	
CCC(O)(CC)CCNC(=O)NNC(=O)c1ccccc1C	276309743	VLVANLBJLQRAMU-UHFFFAOYSA-N	307.394	1.880	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)[C@@H]1COCCN1C1CCCC1	367481299	SMFUETCMKNTKGR-HNNXBMFYSA-N	323.437	1.358	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ccccc2C(F)(F)F)CC1	279578903	ZOUNAAJVJGBGGI-UHFFFAOYSA-N	322.308	1.726	50	20	DDGD	
CC(=O)N1CC[C@@](C)(C(=O)NNc2cc(C#N)cc(Cl)n2)C1	371365325	DFKDOVYZGLBBHA-CQSZACIVSA-N	321.768	1.308	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)C2C[C@H]3CCC[C@H](C2)C3)CC1	377235160	RADMDOJSQFQZNR-STQMWFEESA-N	308.426	1.191	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@@H]1CC=CC[C@H]1C	287127039	OLANCJVJTHNPGF-CHWSQXEVSA-N	317.389	1.857	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@]23CCCC[C@H]2CNC3)n1	285820157	SWNWPHQFGMVVBB-XHDPSFHLSA-N	305.382	1.017	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCC(F)(F)F)c2n[nH]cc2c1	280878851	CHHZUBOOZRHVAZ-UHFFFAOYSA-N	315.255	1.378	50	20	DDGD	
CC(C)(C(=O)NNc1ccccc1F)S(=O)(=O)C1CC1	285381007	UNUAFMMNULIMCA-UHFFFAOYSA-N	300.355	1.625	50	20	DDGD	
COC(=O)N(C)NC(=O)c1c(C)nn(-c2ccccc2)c1C	286159255	BAIOBXZFZMHUIN-UHFFFAOYSA-N	302.334	1.832	50	20	DDGD	
Cc1nccn1CCCCNC(=O)NNc1ncccc1F	287311753	FASLJASZECEZHR-UHFFFAOYSA-N	306.345	1.832	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1C[C@H](C)N(C)[C@H](C)C1	296690542	REAHSBSSKTTXJP-TXEJJXNPSA-N	320.393	1.074	50	20	DDGD	
CN(C)CC(=O)NN=C1C(=O)Nc2cccc(C(F)(F)F)c21	800811869	LZZVJPNWKRUOJK-UHFFFAOYSA-N	314.267	1.039	50	20	DDGD	
O=C1CC(C(=O)NNC(=O)c2cccnc2)(c2ccccc2)C1	809956733	LZQQGBIIPUPENI-UHFFFAOYSA-N	309.325	1.144	50	20	DDGD	
CC[C@@H](CNC(=O)NNc1ncccn1)NC(=O)OC(C)(C)C	297632027	BHDIARINXRBWTL-JTQLQIEISA-N	324.385	1.406	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2ncc(F)cc2F)[C@@H]1OC	298248217	JWAIDPIINPQFCP-AXFHLTTASA-N	316.308	1.178	50	20	DDGD	
Nc1nc(C2CC2)ncc1C(=O)NNc1cccc([N+](=O)[O-])c1	807119311	OZVFWOYRYRKZAJ-UHFFFAOYSA-N	314.305	1.601	50	20	DDGD	
CO[C@H]1CCN(C(=O)NNC(=O)Cc2cccnc2)CC1(C)C	296234758	FLEMCAWHHHOLLE-ZDUSSCGKSA-N	320.393	1.112	50	20	DDGD	
CC[C@@H](Oc1ccccc1C)C(=O)NNC(=O)[C@H]1CCCCO1	295350937	IPZLLZMLDZGJQP-UKRRQHHQSA-N	320.389	1.869	50	20	DDGD	
Cc1ccc(C(=O)NCCC(=O)NCC(Cl)Cl)c(O)c1	294384606	MIVMIQPMLUVDPB-UHFFFAOYSA-N	319.188	1.740	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(CCCOC)C1CCN(C)CC1	291850973	ITEHUTQDNANCMY-BUHFOSPRSA-N	309.410	1.390	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc(OC)cc1	802053485	SFROSSMOHPVOJC-ZIAGYGMSSA-N	319.361	1.829	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2ncccc2F)c1C	807301198	ACNIULIRCRIDIP-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)c1ncoc1C1CC1	292563614	BYWHNNJNJFUHDK-UHFFFAOYSA-N	319.292	1.531	50	20	DDGD	
C[C@H](Cc1ccccc1F)NC(=O)NNC(=O)[C@H]1CCCCO1	296365198	OARXBEYKZWSNBA-BXUZGUMPSA-N	323.368	1.656	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNC(=O)Cc1ccccc1F	805181299	IRDHZXPVXQSUAN-UHFFFAOYSA-N	324.352	1.495	50	20	DDGD	
O=C(Cc1ccsc1)NNc1ccc(-n2ccnc2)nn1	804955684	QGOXOJFEMGMHLR-UHFFFAOYSA-N	300.347	1.410	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2cnccc2C)cc1	801110458	BMWXPBHBPXBOIG-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc2c(c1)CCCC2=O	294653314	NDHXZELVQZVQGH-AWEZNQCLSA-N	302.330	1.146	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc(NCC2CC2)nc1	801140245	GOUYGTTZBVKTRI-UHFFFAOYSA-N	303.366	1.258	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H](Cc2ccccc2)OC)n1	294569904	ZWODOYKOPAQJLH-GFCCVEGCSA-N	302.334	1.186	50	20	DDGD	
N#Cc1cccc(NNC(=O)NCCC2(O)CCOCC2)c1	807448606	UPAOQTNLZXMQEQ-UHFFFAOYSA-N	304.350	1.116	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@]1(C)CC1(F)F	817513901	VONGYMMYWDIOFW-ZDUSSCGKSA-N	314.288	1.267	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1	811879046	RSCANDQUCYPLBN-NWDGAFQWSA-N	309.410	1.807	50	20	DDGD	
O=C(NN=C1COc2cc(F)cc(F)c21)c1ccc(O)c(O)c1	814920403	NGOHJARDVDGRBO-UHFFFAOYSA-N	320.251	1.903	50	20	DDGD	
O=C(CNC(=O)c1cccc(O)c1)NNc1cccc(Cl)n1	817011348	PUVKVBDWPXHARG-UHFFFAOYSA-N	320.736	1.314	50	20	DDGD	
CC(C)[C@H]1CC(=NNC(=O)CNC(=O)c2cccnc2)CS1	814873714	NXTWQFQHCKCASO-CYBMUJFWSA-N	320.418	1.445	50	20	DDGD	
COc1ncc(C=NNC(=O)COc2ccccc2C#N)s1	812223719	JVLRRXOXLHNVIR-UHFFFAOYSA-N	316.342	1.552	50	20	DDGD	
CCN(CC(=O)NNc1ncncc1F)C(=O)OC(C)(C)C	817081525	FFRZRTFFPMXPEG-UHFFFAOYSA-N	313.333	1.316	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)c2csc(N3CCOCC3)n2)C1	814750270	ZMKKUWBCXHXYLP-SNVBAGLBSA-N	308.407	1.886	50	20	DDGD	
C[C@@](O)(C(=O)NNc1cccc(S(C)(=O)=O)c1)C1CCC1	813510099	OQGKHOVKYHXBRT-AWEZNQCLSA-N	312.391	1.084	50	20	DDGD	
COc1ccccc1N(CC(=O)NNC(=O)C1CC1)C(C)C	810110802	QEVNNTUSKBSTGB-UHFFFAOYSA-N	305.378	1.467	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCC(C(C)(C)C)CC1	728437190	MRXQWQBALBJEMO-VUWPPUDQSA-N	317.455	1.633	50	20	DDGD	
COC(=O)CCn1nc(C)c(C=NNC(=O)NC(C)C)c1C	727062285	WLOBIZMPSSMDHL-UHFFFAOYSA-N	309.370	1.105	50	20	DDGD	
CSCCNC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	726279301	STQFCVXWWNVXSK-SECBINFHSA-N	315.370	1.286	50	20	DDGD	
CCCC(Cc1ccccc1)=NNC(=O)[C@@H]1CCS(=O)(=O)C1	727255159	FEWRJDGPOKRDGL-CQSZACIVSA-N	322.430	1.936	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@H](OC)C2CCCC2)n1	823307269	YUXWZINLVUZJDL-LLVKDONJSA-N	309.370	1.317	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)NOCC1CCC1	824022790	VBHMDWPTUSCDGT-UHFFFAOYSA-N	309.391	1.913	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CCN(C)c3ccccc32)nc(N)n1	828371901	OSGZPYMNWORAES-GFCCVEGCSA-N	312.377	1.434	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)c1ccc[nH]1)C1CCCCC1	823678452	JSMMYPNASNJVEZ-ZDUSSCGKSA-N	308.382	1.554	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)CCc1cccs1	827288695	NOIXMASBZNHPNG-JQWIXIFHSA-N	311.407	1.388	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cccc(S(=O)(=O)C(F)F)c1	496404011	BVXBRHWIVYMMGD-UHFFFAOYSA-N	322.289	1.026	50	20	DDGD	
CCCCC[C@@H](O)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	822205119	LXQCURHIAHYSTJ-OAHLLOKOSA-N	317.389	1.799	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CN(C(=O)OC(C)(C)C)C1CC1	495086881	MVZSHWUEDXAHSA-UHFFFAOYSA-N	314.386	1.078	50	20	DDGD	
CC(C)C[C@@H](CNC(=O)/C(C#N)=C\c1cnn(C)c1)N(C)C	491014123	WEHNESVLTDCXPK-GSHXUFRSSA-N	303.410	1.420	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C	496128204	XUOVJCTXUXGNRC-JTQLQIEISA-N	316.402	1.372	50	20	DDGD	
CCOC(=O)NNC(=O)CC1(CNC(=O)OC(C)(C)C)CC1	497079025	HJYBSPMIOMAGLF-UHFFFAOYSA-N	315.370	1.459	50	20	DDGD	
C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccc(B(O)O)cc1	584954813	LMJOZGCQMOMVHE-YOEHRIQHSA-N	323.201	1.460	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccn(C(F)F)n1	826447861	ZFBMEQPUCURMFO-UHFFFAOYSA-N	320.263	1.215	50	20	DDGD	
CN(CCCn1ccnc1)C(=O)[C@@]1(C)C[C@@H]1Br	907047170	NQUXQJYASWIHTF-JQWIXIFHSA-N	300.200	1.905	50	20	DDGD	
Cc1nc(C2CC2)ccc1C(=O)NNc1ccnc(N(C)C)n1	825984774	LLJRCYZPCGEVRH-UHFFFAOYSA-N	312.377	1.880	50	20	DDGD	
C[C@@]1(c2cccs2)C[C@@H]1CNCc1cccc(B(O)O)c1	585024057	SMIMSVMVMXBQPC-CZUORRHYSA-N	301.220	1.495	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCc1cccc(F)c1	825566766	OHFYDQQZZQWVLV-MFKMUULPSA-N	309.341	1.124	50	20	DDGD	
CCOC(=O)[C@@H]1CCCN(C(=O)[C@]2(C)C[C@@H]2Br)C1	905068510	FHQFMRFMSJESCV-GBIKHYSHSA-N	318.211	1.962	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNC(=O)Cc2ccc(Cl)cc2)CCN1C	823807562	CZDCNNAKCNDPHL-ZWNOBZJWSA-N	309.797	1.370	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)C(F)(F)F	824040581	RNMVEXJHKVZVBD-LURJTMIESA-N	300.244	1.508	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)C1CC1	494143647	ZQRCECRHZTWWSC-JTQLQIEISA-N	313.398	1.485	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H]2CC[S@](=O)C2)cc1	490726775	VBXYVZIPYNHTCC-CCMMGKONSA-N	318.398	1.629	50	20	DDGD	
CC(C)[C@@H](C)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	494337646	YXSGGQUKRCFGGL-LLVKDONJSA-N	315.414	1.731	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccnn1CCN(C)C	907783110	OZIKBYSALGTHNC-UHFFFAOYSA-N	317.397	1.115	50	20	DDGD	
COc1ccccc1/C(C)=C\C(=O)NNC(=O)c1c[nH]nc1C	732084728	ZMULGIXOPHMKNN-NTMALXAHSA-N	314.345	1.591	50	20	DDGD	
CN(NC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)OC(C)(C)C	491106485	SKYJTEXFFZLMBQ-IZZDOVSWSA-N	305.338	1.225	50	20	DDGD	
Cc1cccc([C@H]2CCCN2C(=O)c2cccc(B(O)O)c2)c1	584933792	LJEUCYJSNSEAGC-QGZVFWFLSA-N	309.174	1.652	50	20	DDGD	
CC(C)C[C@@H](NC(=O)O)C(=O)NNc1ncccc1Cl	736417971	YVKJGGFSIHMLGL-SECBINFHSA-N	300.746	1.860	50	20	DDGD	
C[C@@H](NCc1ccc(B(O)O)cc1)[C@@H](c1ccccc1)N(C)C	585036078	DFUGMEHLIFARGA-KDOFPFPSSA-N	312.222	1.147	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	832894034	JBRWPPUDXISXGN-AGIUHOORSA-N	302.440	1.305	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)NC(=O)NNc1ccc(Cl)nn1	836627832	AQIPXQJLUFUBET-MRVPVSSYSA-N	309.761	1.121	50	20	DDGD	
C[C@H](C(=O)NCC(Cl)Cl)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	837651871	RDXVRKLPKGGFSA-IWSPIJDZSA-N	321.204	1.470	50	20	DDGD	
CC(=NNC(=O)[C@H](C)Oc1ccccc1F)c1cn(C)nn1	834929721	HBPWOQIIHXXXSZ-JTQLQIEISA-N	305.313	1.262	50	20	DDGD	
Cc1cccc(CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1	494640342	JOMRHJRBWPUPBU-UHFFFAOYSA-N	321.377	1.210	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)N[C@@H]1CCS(=O)(=O)C1	837314912	XWDACCGCJMFDTO-SECBINFHSA-N	317.798	1.462	50	20	DDGD	
CCCN(C)CC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	730103878	IZFGYNMLVZSLGG-LLVKDONJSA-N	311.357	1.082	50	20	DDGD	
CCCN1Cc2cccc(NC(=O)c3cccc(B(O)O)c3)c2C1	584940318	TVKMHQRNDDVLIE-UHFFFAOYSA-N	324.189	1.344	50	20	DDGD	
Cc1ccc(-c2cncc(C(=O)N3CC[C@H](B(O)O)C3)c2)cc1	585068629	CTVPAXFWABIKBU-INIZCTEOSA-N	310.162	1.746	50	20	DDGD	
O=C(CN(CC1CC1)C1CCC1)NNC(=O)c1ccc(F)cc1	839590169	SIULLNMCTBHMIY-UHFFFAOYSA-N	319.380	1.851	50	20	DDGD	
CC(C)(C)N1C[C@H](C(=O)NNc2cccc(C(=O)O)c2)CC1=O	833431468	NJDAEYCPKCSUDY-LLVKDONJSA-N	319.361	1.475	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@H](C)C[C@H](C)N)cc1	831223735	HXONYPDRPUUWIV-VHSXEESVSA-N	309.370	1.157	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC2=N[C@H]3C=C[C@H]2C3)o1	739410272	RQGGQLJKVLDYJO-RYUDHWBXSA-N	302.378	1.713	50	20	DDGD	
N#CSCCCNS(=O)(=O)c1cnc2n1CCCC2	907269466	SOEAARZNMVKMDD-UHFFFAOYSA-N	300.409	1.102	50	20	DDGD	
CC(=O)N[C@@H]1Cc2ccccc2N(S(=O)(=O)CCl)C1	830923372	BJZRPZQPLJYMQS-LLVKDONJSA-N	302.783	1.080	50	20	DDGD	
Cc1ncc(C(=O)NNC(=S)NCCc2cccs2)n1C	900051544	ZPTYLENXCOSVJM-UHFFFAOYSA-N	323.447	1.142	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H](CO)c1ccccn1	908491954	LNWISUVSZAOVOJ-CYBMUJFWSA-N	322.796	1.597	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1ccc(N2CCC(O)CC2)cc1	905073317	JVFBNFRFYKPUNR-WJDWOHSUSA-N	320.414	1.947	50	20	DDGD	
C[C@@H](C#N)C(=O)NNC(=O)c1ccc(F)cc1Br	736674705	ZGHBBIRWHVHAKA-LURJTMIESA-N	314.114	1.509	50	20	DDGD	
CC(C)c1nn(C)c(Cl)c1C=NNC(=O)c1cnn(C)c1	735412321	WDGOJVJGEKSFTI-UHFFFAOYSA-N	308.773	1.694	50	20	DDGD	
C=CC(C)(C)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1	837865274	XZIDZIMAQYRYBJ-UHFFFAOYSA-N	315.329	1.075	50	20	DDGD	
CN(NC(=O)c1ccc(OCC(=O)OC(C)(C)C)cc1)C(N)=O	831519007	ISFGJSSFMDIDMO-UHFFFAOYSA-N	323.349	1.062	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCC2)c1cccc(Cl)c1	915685964	KWEUAPVJTQLZSL-UHFFFAOYSA-N	304.737	1.627	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2cncc(O)c2)cc1	732258649	FGTURKRHFVMJHK-UHFFFAOYSA-N	317.370	1.649	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1c[nH]c2cccc(F)c12	833243415	SLSRVOQOKBIDSY-LBPRGKRZSA-N	305.309	1.637	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1c(Cl)cc(C#N)cc1Cl	910161437	ZWBBRIDPIASCCY-SSDOTTSWSA-N	302.161	1.822	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)NC1CCCCCC1	748614154	VZDYWKBJFVJBLY-NSHDSACASA-N	301.387	1.091	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1CC(=O)NNC(=O)COc1ccc(F)cc1	746096092	OZRKNGYDCDFSBH-TXEJJXNPSA-N	323.368	1.225	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2cc(Cl)ccc2Cl)CCN1	748510455	GCPUIVABIKVTEF-ZETCQYMHSA-N	302.161	1.963	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)C[C@@H](OC)C1CCCCC1	849304677	UYGHEGIJHSQPAX-WCQYABFASA-N	320.455	1.578	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H]2C[C@]23CCOC3)cc1	846378396	XHUPDHHBYATEOQ-BBRMVZONSA-N	304.346	1.272	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	840237635	OPFZGEYSZDAUQU-QWHCGFSZSA-N	300.387	1.343	50	20	DDGD	
CO[C@@H](CC(=O)NNC(=O)Nc1ccccc1)C(F)(F)F	846094087	KDUFNIYNYQHGEM-VIFPVBQESA-N	305.256	1.807	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@@H]2CCCC[C@H]2F)c1	840439663	PMFZULFXBHDEKJ-ZIAGYGMSSA-N	323.368	1.985	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1	910161043	QVRBHJCULJWKCT-HGNGGELXSA-N	302.296	1.551	50	20	DDGD	
Cc1ccccc1-n1nccc1NC(=O)NNC(=O)CCCN	841174567	LPLXVZUGUOZUAZ-UHFFFAOYSA-N	316.365	1.072	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCCC[C@@H](C)CO)cc1	845079543	CBSVJWFZNMVRAQ-GFCCVEGCSA-N	323.393	1.437	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H]2CCN[C@H](C)C2)cccc1[N+](=O)[O-]	841986267	MFMAQOAOZBYUFB-MWLCHTKSSA-N	307.354	1.670	50	20	DDGD	
Cc1c(NNC(=O)c2c[nH]c(C(N)=O)c2)cccc1[N+](=O)[O-]	748673547	MEABUWRRIXLTHL-UHFFFAOYSA-N	303.278	1.087	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@H](C)[C@H]1CCCNC1	841927225	NLVWLMZMJRJSEE-HIFRSBDPSA-N	318.421	1.256	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(F)c(Cl)c1F	843659055	HFHGCOQNWRBAMV-RNFRBKRXSA-N	318.707	1.804	50	20	DDGD	
N[C@H]1C[C@H](NS(=O)(=O)c2ccc(CCCCl)cc2)C1	842800522	WWFHQYVHNZDXBU-HAQNSBGRSA-N	302.827	1.626	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NN=Cc1cccc2c1OCO2	915943360	AEEQPPHVUIGAGU-UHFFFAOYSA-N	322.324	1.915	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)NCC(F)(F)F)c1C	847115187	GFTOMKCNFCYLIJ-UHFFFAOYSA-N	305.256	1.510	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)[C@@H]2C[C@H]2C2CCC2)c1	845918637	OWOKUBZJYFFMBF-UONOGXRCSA-N	308.403	1.969	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)COc1ccc(C)c(C)c1)[C@H](C)O	842223323	HGGZOEBHOKORNX-GXTWGEPZSA-N	308.378	1.237	50	20	DDGD	
CCC[C@@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1	744774332	RYTXNMGLFGLQQL-LLVKDONJSA-N	317.345	1.299	50	20	DDGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)C1(C(=O)NC2CC2)CC1	842246098	PXLDVSZRBOHVAK-UHFFFAOYSA-N	322.296	1.236	50	20	DDGD	
Cn1c(=NNC(=O)NCc2ccon2)sc2ccccc21	747509662	FUCOXZSMALMUNV-UHFFFAOYSA-N	303.347	1.543	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H](C)CN2CCC(C)CC2)nn1C	841615272	YEVKXFWHTFFBOE-ZDUSSCGKSA-N	305.426	1.547	50	20	DDGD	
C[C@H](NS(=O)(=O)CCCCl)c1noc(C(F)(F)F)n1	916398661	DEDKKIRPBKSSNA-YFKPBYRVSA-N	321.708	1.698	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)c1	919810935	XLVKXVINFJPTOP-ZDUSSCGKSA-N	311.407	1.252	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)Nc1cccc(NC(=O)NN(C)C)c1	843870222	AMSFEMKBZDERDU-UHFFFAOYSA-N	321.381	1.138	50	20	DDGD	
CN(CC(=O)NNC(=O)C(C)(C)C)[C@H]1CCc2ccccc21	744385811	POPSTJITYHMUDR-AWEZNQCLSA-N	303.406	1.799	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](O)[C@@H](C)c1ccc(C)cc1	840572612	VHPRXYOSJFPLGI-WCQYABFASA-N	316.361	1.401	50	20	DDGD	
Cc1cc(F)cc(S(=O)(=O)NNC(=O)c2ccccn2)c1	747594118	LVYUUCJPGZROFH-UHFFFAOYSA-N	309.322	1.152	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C2=C(C)OCCC2)cc1	846377758	KWMIXCPIMUMMQP-UHFFFAOYSA-N	304.346	1.930	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)[C@H]1CCCOC1	848320213	MQNSWCOPNHWFAE-ZETCQYMHSA-N	301.144	1.109	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1cccc(Cl)c1	842586614	OJOBFYHUFPPZPE-KWQFWETISA-N	318.782	1.075	50	20	DDGD	
Cc1ccc(OCCCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	843644900	GXIMYJABGOWTDF-ZFWWWQNUSA-N	320.389	1.726	50	20	DDGD	
CO[C@@]1(C=NNC(=O)COc2ccc(C)c(C)c2)CCOC1	841606862	MMACORSZBRJBBC-MRXNPFEDSA-N	306.362	1.590	50	20	DDGD	
O=C(NNc1ncc(Cl)cc1Cl)[C@H]1CCCS1(=O)=O	847755444	XUJFZKPSVMZVAD-MRVPVSSYSA-N	324.189	1.409	50	20	DDGD	
O=C1C[C@@H](CNC(=O)NNc2cccc(Cl)c2Cl)CN1	840396256	MNHCURXZVODZTQ-SSDOTTSWSA-N	317.176	1.756	50	20	DDGD	
O=C(NNc1c(F)c(F)nc(F)c1F)[C@H]1CC[C@@H](C(=O)O)C1	846709357	WSCLHYVSVQNTAZ-CRCLSJGQSA-N	321.230	1.582	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=S)NCC2CC2)cc1	849254976	SGCGIMWBKDQJII-UHFFFAOYSA-N	307.419	1.533	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2F)cn1	747332274	KDFMYMXCSCWGTC-UHFFFAOYSA-N	323.711	1.958	50	20	DDGD	
Cc1nccn1CCCCNC(=O)NNC(=O)C1CCCC1	745842471	QCZKJXDLMQNHLO-UHFFFAOYSA-N	307.398	1.492	50	20	DDGD	
CN(C(=O)NC[C@]1(C)C[C@@H]1Br)[C@H]1CCCOC1	856959692	WZBKPLXVEUQEJO-NHCYSSNCSA-N	305.216	1.980	50	20	DDGD	
CC(Cn1cncn1)=NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	853341585	TZQNBFQUJLVRTM-LLVKDONJSA-N	321.768	1.891	50	20	DDGD	
CCn1nc(NC(=O)NNC(=O)CC(F)(F)F)cc1C1CC1	756886315	NAXCNTZMHOCDCV-UHFFFAOYSA-N	319.287	1.886	50	20	DDGD	
CNC(=O)C1(C(=O)OC[C@H](CBr)C2CC2)CCC1	859547800	QYKWQLJVNDTHNK-JTQLQIEISA-N	318.211	1.867	50	20	DDGD	
Nc1ccc(C(=O)NNc2cnccn2)cc1OC(F)(F)F	857489314	WOCWLEZWWGWFST-UHFFFAOYSA-N	313.239	1.714	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CCCF)ccc1OC(C)C	854237558	XNRBZJAZPZNFFR-UHFFFAOYSA-N	312.341	1.993	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H](C)c2nccn2C)cc(C#N)n1C	856277237	GWSDDYWOACFPKM-LLUUXILJSA-N	322.372	1.723	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H](C)Cc1ccccc1	854282024	PFAXUFUJHGJBPG-ZDUSSCGKSA-N	323.462	1.739	50	20	DDGD	
CC1(C)CCC[C@@H]1CNC(=O)NNC(=O)c1cccc(F)n1	852360222	VVFCFPMWSKFFKE-SNVBAGLBSA-N	308.357	1.991	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cnc3c(C)cccn23)n1	755563992	IAJXRKOVRFIMCP-UHFFFAOYSA-N	310.361	1.606	50	20	DDGD	
C=CCOCCNC(=O)NNc1cccc(C(=O)OC)c1C	853972295	ALJNUDNKTDABGU-UHFFFAOYSA-N	307.350	1.610	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccccn1)N1CCc2ccccc21	920758244	OOJURSPZRMXSNH-GFCCVEGCSA-N	310.357	1.294	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)c1cc2c(s1)CCC2)C1CC1	858138289	VTTLRHXFHDWION-ZDUSSCGKSA-N	308.403	1.813	50	20	DDGD	
CC(=O)NNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F	757799641	GSSXYDDAVCNZNG-SECBINFHSA-N	321.324	1.046	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H]2CCCN2C=O)cc1C	854574941	UPXRTSRAPPPIAS-AWEZNQCLSA-N	319.361	1.236	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CC(F)(F)F)cc1C(N)=O	756326408	IDGOLMMWRPJYBS-UHFFFAOYSA-N	318.255	1.199	50	20	DDGD	
Cc1nccc(CNC(=O)NC[C@@]2(C)C[C@@H]2Br)n1	856823300	JHMUYCQSJRFOMU-CMPLNLGQSA-N	313.199	1.758	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)c1cncc(F)c1	759111938	GYZKPOLIPXREJL-UHFFFAOYSA-N	305.334	1.846	50	20	DDGD	
C/C(=C/C(=O)NNC(=S)N[C@@H](C)C1CC1)c1cnccn1	855094379	ATUXNKMCMYFEDM-RNKPRXRFSA-N	305.407	1.174	50	20	DDGD	
CC(C)(C(=O)NNC(=O)C1CCOCC1)C1CCC(O)CC1	923059109	MFLXGQNYEZAQIS-UHFFFAOYSA-N	312.410	1.138	50	20	DDGD	
Cc1cccc(CC(=O)NNC(=O)c2c[nH]nc2C)c1Cl	754216056	LPTMJBDGIWDLPS-UHFFFAOYSA-N	306.753	1.684	50	20	DDGD	
O=C(NN=Cc1cc[nH]n1)c1cccc(NN=Cc2cc[nH]n2)c1	755488603	WWQAMPIZUHHDQD-UHFFFAOYSA-N	322.332	1.343	50	20	DDGD	
CC(=NNC(=O)NCC1CC1)c1cccc(OCC(=O)O)c1	757460305	CTKBWZCTLFPHNL-UHFFFAOYSA-N	305.334	1.583	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CO[C@@H]2CCCC[C@H]2C)nc1	759729204	PIZKEYUPTPDFTO-DGCLKSJQSA-N	321.377	1.907	50	20	DDGD	
COc1ncncc1NC(=O)NNC(=O)CCc1ccccc1	757689725	IJRHFCBKCHQZQG-UHFFFAOYSA-N	315.333	1.271	50	20	DDGD	
C[C@@]1(CNC(=O)N2CCC(CCN)CC2)C[C@H]1Br	857105505	MGZOADBYHMORIU-YPMHNXCESA-N	318.259	1.930	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@]1(C)C[C@@H]1Br	857733621	MDJHEEHEXYKLSP-PLKZCJTGSA-N	312.211	1.813	50	20	DDGD	
C[C@H](CC#N)Sc1ccccc1NC(=O)NNC(=O)CO	756487245	INZSYHPBBXZZQP-SECBINFHSA-N	308.363	1.226	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCC(=O)NCC1CC1	754549120	JDXFOSFHOCZQIR-NTUHNPAUSA-N	300.314	1.369	50	20	DDGD	
CC(=O)NC[C@H]1CCCCN1CCI	860177622	UWQWIENUGAVMPO-SNVBAGLBSA-N	310.179	1.412	50	20	DDGD	
Cc1nc([C@H]2CCOC2)sc1C(=O)NNC(=O)c1ccc[nH]1	864589029	ZHVLKOKTIYELTB-VIFPVBQESA-N	320.374	1.358	50	20	DDGD	
COC(=O)c1csc(/C=C(/C#N)S(=O)(=O)N(C)C)c1	865223113	FTDBLTBCJPLVIJ-YHYXMXQVSA-N	300.361	1.291	50	20	DDGD	
CC(C)[C@H](NC=O)C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	861886256	CPTWPVXOYVJVHE-NSHDSACASA-N	314.729	1.462	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2ccccc2OC2CCCC2)N1	863145074	IVGGMUCBVJJVAK-CQSZACIVSA-N	315.373	1.737	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@@H]2CCC(=O)N2)c2c(O)ccc(F)c21	863145108	JQJVONFHHNTILU-APPZFPTMSA-N	305.309	1.137	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)NC1CC=CC1	763523713	ABEMJPKAJOSTDT-UHFFFAOYSA-N	307.375	1.533	50	20	DDGD	
CCOC(=O)c1nn(C)cc1C=NNC(=O)NCc1ccco1	769780856	SRBHIWWJDCBNST-UHFFFAOYSA-N	319.321	1.023	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cccc([N+](=O)[O-])c2O)n1	769143171	JNRFKYZLNSKIIY-UHFFFAOYSA-N	323.696	1.809	50	20	DDGD	
O=C(NNc1cccc(F)c1Cl)C1CCS(=O)(=O)CC1	862509607	MKHKGAIFVXMSLZ-UHFFFAOYSA-N	320.773	1.747	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=C2CCC(OC3CCCC3)CC2)N1	863149914	IQHGYDZZUUKJCT-KZUDCZAMSA-N	307.394	1.639	50	20	DDGD	
CC(=O)OCCc1cccc(NC(=O)NNC(=O)C2CC2)c1	764698973	DXFFKBQTNIUHCK-UHFFFAOYSA-N	305.334	1.355	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cn[nH]c1)[C@H]1OCCc2sccc21	862470088	ZNUNASCCOILQOL-QPUJVOFHSA-N	320.374	1.182	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCN(CC#N)CC1	768172366	XBDKGOYNUQCVAP-JTQLQIEISA-N	302.216	1.464	50	20	DDGD	
C[C@@H](CCc1ccc(F)cc1)C(=O)NNC(=O)c1cc[nH]n1	869238960	JSJJILZCSLIPSO-JTQLQIEISA-N	304.325	1.579	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]21	762630555	OCMJPBQMNMRIEF-JFGNBEQYSA-N	317.480	1.743	50	20	DDGD	
C[C@H](NNC(=O)[C@@](C)(O)CCc1ccccc1)C(F)(F)F	862320176	POEATWHUCVGJGY-GWCFXTLKSA-N	304.312	1.942	50	20	DDGD	
CCCCCS(=O)(=O)CC(=O)NN[C@H](C)C(F)(F)F	862312473	NAABVLYOBZXSTR-MRVPVSSYSA-N	304.334	1.163	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)c1cc[nH]c1	768638509	KXQFPTHNKOUJMZ-UHFFFAOYSA-N	309.347	1.184	50	20	DDGD	
COC(OC)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	873814325	SPBZTVIECXHRHM-UHFFFAOYSA-N	307.133	1.373	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc(OC(F)F)c(F)c1	872402260	YBFCMIGEUJQYDO-UHFFFAOYSA-N	320.267	1.540	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)C1SCCCS1	874956461	YIAOLMXKAUKYLT-UHFFFAOYSA-N	314.461	1.595	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)NNc1nc2ccccc2[nH]1	870212138	HWZVYWZXBYCPOA-ZDUSSCGKSA-N	301.350	1.407	50	20	DDGD	
CCCn1cc(C=NNC(=O)CNc2cccc(OC)c2)nn1	872335267	KLOQZHAOLFBTBM-UHFFFAOYSA-N	316.365	1.259	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@@H]1CCC=CO1	772997398	UQDKRYSSWFQNLZ-MFKMUULPSA-N	324.764	1.947	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1cc(F)c(F)cc1F	779814569	BXCIRQWYWSQKFP-UHFFFAOYSA-N	303.284	1.853	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccccc1N1CCN(C)CC1	878080751	PLDJTRIAYCCPOC-UHFFFAOYSA-N	321.425	1.053	50	20	DDGD	
CCO[C@H](CC(=O)NNc1nncc(N)c1Cl)C(C)C	1116298400	PCZVTSPYSPXRNA-SECBINFHSA-N	301.778	1.607	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H](C(C)C)C2)cc1	1119740818	AEUJFBKBLOIBJG-ZFWWWQNUSA-N	320.389	1.907	50	20	DDGD	
CO[C@H]1CCC[C@H]1CNC(=O)NNC(=O)Cc1ccccc1F	774791649	YBAORNOWRZQQLN-JSGCOSHPSA-N	323.368	1.514	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccnc(N(C)C)c2)cc1O	779514730	NAOUUJGHVDMKMJ-UHFFFAOYSA-N	314.345	1.236	50	20	DDGD	
CC(=NNC(=O)CO)c1ccccc1I	776780576	LCKVQFAGYMDMSU-UHFFFAOYSA-N	318.114	1.124	50	20	DDGD	
CC(CCOCc1ccccc1)=NNC(=O)C(=O)NC(C)C	872338897	PUKDUOVPBHPLPN-UHFFFAOYSA-N	305.378	1.610	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)[C@H](C)CN1CCCCCC1	770597377	WAIIRSFHWOZVDH-CQSZACIVSA-N	319.453	1.945	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN[C@H](C)C2CCOCC2)cc1	775456201	YSCJMDNZBJWDCZ-CYBMUJFWSA-N	319.405	1.161	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(C)c(NC(C)=O)c1C	878380225	UOJGEXMUPOIFHG-UHFFFAOYSA-N	308.338	1.997	50	20	DDGD	
CCN(CC)C(=O)CNC(=O)NNc1cccc(F)c1Cl	875153189	CGQSSVYZUKXMTK-UHFFFAOYSA-N	316.764	1.974	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C	875587596	OYQZGLQUYHAJDD-GXTWGEPZSA-N	320.393	1.562	50	20	DDGD	
CCOC(=O)C(F)(F)[C@H]1CCCC(=NNC(=O)COC)C1	772843475	HSDULDFGQCRWRU-VIFPVBQESA-N	306.309	1.494	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCCC[C@H](C)C2)c1	775729899	XZWRJDQETREWOI-AWEZNQCLSA-N	303.406	1.878	50	20	DDGD	
CN(C)[C@H](CNS(=O)(=O)CCCCl)c1ccc(F)cc1	881801268	ATSIRTQSGIIEPE-CYBMUJFWSA-N	322.833	1.977	50	20	DDGD	
C[C@H](CCc1cccc(F)c1)C(=O)NNC(=O)c1cccnn1	882057993	LCKHJOJZMKZFDP-LLVKDONJSA-N	316.336	1.646	50	20	DDGD	
CSC1(CNS(=O)(=O)CCCCl)CCN(C)CC1	882206776	OTICZKYFRMBITP-UHFFFAOYSA-N	314.904	1.362	50	20	DDGD	
O=C(NCc1cc2ccccc2[nH]1)NNC(=O)C1CCOCC1	883239997	CVNMPSUZVOQHSM-UHFFFAOYSA-N	316.361	1.425	50	20	DDGD	
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NNc1ncncc1Cl	780975640	JNIXTAOZABOTKK-HTQZYQBOSA-N	314.777	1.059	50	20	DDGD	
CC(C)C(=O)NNC(=O)Cn1cc(C2CCCCCC2)nn1	881299199	AUXLBCDXXTVHKK-UHFFFAOYSA-N	307.398	1.519	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)NC[C@H]1C=CCC1	883725096	LPZZDHDXAVJCLV-LBPRGKRZSA-N	324.425	1.226	50	20	DDGD	
C[C@@H]1CCC[C@@H](CNC(=O)NNC(=O)c2cccnn2)[C@@H]1C	883620979	VYXBKKIJFKKRRB-UTUOFQBUSA-N	305.382	1.493	50	20	DDGD	
CN(C)CCn1cc(C(=O)NNc2cc(F)ccc2F)cn1	885141892	PAWQRPYYSLMVHG-UHFFFAOYSA-N	309.320	1.480	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=S)NC1(C)CC1	789172264	FLIZEHVMAMVNGT-SECBINFHSA-N	311.382	1.641	50	20	DDGD	
CCc1cncc(C(=O)NNC(=O)Cn2cnc3ccccc32)c1	789870083	ZXPHXYNCYLUSFT-UHFFFAOYSA-N	323.356	1.455	50	20	DDGD	
COc1nn(C)cc1C(=O)NC[C@@]1(C)C[C@@H]1Br	883973769	DQOSIWZSUMKDKS-GZMMTYOYSA-N	302.172	1.332	50	20	DDGD	
O=C(CS(=O)(=O)C1CCCC1)NNc1cc(F)ccc1F	885144541	FFWOJSYVSAXWAO-UHFFFAOYSA-N	318.345	1.765	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1ccnc(C2CC2)c1	783053380	IHSPFSKMVSPQKT-UHFFFAOYSA-N	318.377	1.025	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)Nc2noc(C)n2)cc1	781110863	JUXPHXJKTCIGQM-UHFFFAOYSA-N	306.351	1.710	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CCN2C(C)(C)C)cc1F	897926744	BVOPWLOXZXTAKU-CYBMUJFWSA-N	323.368	1.928	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCc2ccc(Cl)cc2)[nH]1	787426600	ASTKGHGGOYBYGH-UHFFFAOYSA-N	317.736	1.684	50	20	DDGD	
C=C1CCC(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)CC1	895511235	OZPFEHBTDRKZRJ-OKILXGFUSA-N	323.437	1.380	50	20	DDGD	
C[C@@H]1C[C@@H](CCNC(=O)NNc2ccc(Cl)nn2)CCO1	784516559	NSTIAOPIFOEVLN-ZJUUUORDSA-N	313.789	1.961	50	20	DDGD	
C[C@H]1CN(C)C(=O)CN1C(=O)[C@H](Br)C(C)(C)C	783761765	GQQNSLHPCQXLAO-WPRPVWTQSA-N	305.216	1.485	50	20	DDGD	
COc1cc(NNC(=O)NCCn2ccnc2)ccc1Cl	788851431	WTJDKRNTOXEAHN-UHFFFAOYSA-N	309.757	1.871	50	20	DDGD	
O=C(Cc1csc(-c2nc[nH]n2)n1)NNc1ccnc(F)c1	781360930	KRKBGDWFCYUSLU-UHFFFAOYSA-N	319.325	1.148	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2cnn(C)c2)c1	780825087	LYNPBKNFNBUXMF-UHFFFAOYSA-N	303.322	1.033	50	20	DDGD	
CO[C@]1(C)CCCN(C(=O)NNC(=O)c2cccc(C#N)c2)C1	792897379	ASRLOWQRCVNQLO-MRXNPFEDSA-N	316.361	1.414	50	20	DDGD	
C=CCNC(=S)NNC(=O)C[C@H](O)c1ccc(Cl)cc1	798305976	OIGPDKUYNXJQGU-NSHDSACASA-N	313.810	1.445	50	20	DDGD	
Cc1c[nH]nc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	799407484	USTDHGNIDLLJIO-SECBINFHSA-N	306.297	1.086	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cn3c(n2)CCCC3)n1	799836866	GMISVQJLXKUFSD-UHFFFAOYSA-N	306.757	1.728	50	20	DDGD	
CC(C)NC(=O)NC1(C(=O)NNc2ccccn2)CCCCC1	792302047	VGADWIWLSWGYRX-UHFFFAOYSA-N	319.409	1.935	50	20	DDGD	
CCc1occc1C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1	798105713	CUHVWYPOGJYIFP-RYUDHWBXSA-N	323.393	1.102	50	20	DDGD	
C[S@@](=O)c1ccc(CC(=O)NNC(=O)C2CCCC2)cc1	797827363	FABGRXODOZANTQ-OAQYLSRUSA-N	308.403	1.304	50	20	DDGD	
COC(=O)[C@H]1CC[C@H](C(=O)NNc2ncccc2[N+](=O)[O-])CC1	798111465	GLCUJEDNQJABGH-MGCOHNPYSA-N	322.321	1.412	50	20	DDGD	
C[C@H](CNC(=O)NNc1nc2ccccn2n1)N1CCCCC1	790237779	MQQALHAJDXOMFK-GFCCVEGCSA-N	317.397	1.230	50	20	DDGD	
Cc1cc(C)nc(NC(=O)NNc2ccc(-n3ccnc3)nn2)c1	796654197	CXPDGRVDFKGDIS-UHFFFAOYSA-N	324.348	1.823	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)c1ccc(OC)cc1)C1CC1	1319496710	RRVLAAOUPULHGI-ZDUSSCGKSA-N	307.350	1.064	50	20	DDGD	
Cc1ccncc1C(=O)NNC(=O)c1cncn1-c1ccccc1	1319082385	DNHADNSKQJNZNN-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](C)c1ccc(Cl)c(F)c1	1319890716	QGNCZFFSBBMARU-QMMMGPOBSA-N	317.748	1.907	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCc2ncccc2F)cc1	1321202125	GANUFIADEWQTHG-UHFFFAOYSA-N	318.308	1.374	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12	1325314004	UWCUGZLDMIHZTC-CAEXGNQWSA-N	320.437	1.141	50	20	DDGD	
CC(C)n1ccnc1C=NNC(=O)c1n[nH]c2c1CCCC2	1327678156	YJKCVCZENKGQEX-UHFFFAOYSA-N	300.366	1.830	50	20	DDGD	
CNC(=O)NNC(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1	1251227453	MIDXJRRDUIPDMF-UHFFFAOYSA-N	316.239	1.640	50	20	DDGD	
Nc1cnnc(NNC(=O)CSc2ccccc2)c1Cl	1333510410	WCGFADWBVYQRSI-UHFFFAOYSA-N	309.782	1.948	50	20	DDGD	
O=C(NCC(Cl)Cl)Nc1ccnn1C[C@@H]1CCOC1	1331144163	QWJXXKIMZUAFPY-QMMMGPOBSA-N	307.181	1.845	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H]1CCCCN1Cc1cccnc1	1254373929	IHZUJLAXOBEPPS-CQSZACIVSA-N	319.409	1.129	50	20	DDGD	
COc1ccc2c(c1)CC[C@H](C(=O)NNC(=S)NC(C)C)C2	1331921523	WLFJFHDDGMCCOY-ZDUSSCGKSA-N	321.446	1.704	50	20	DDGD	
COC[C@H](C)Oc1ccc(C=NNC(=O)C2CCOCC2)cc1	1331990604	BWCGBEWWINXLLB-ZDUSSCGKSA-N	320.389	1.977	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1F)c1ccc(Br)cc1	1339503300	VPTKAHGVUBMXSP-RKDXNWHRSA-N	301.115	1.568	50	20	DDGD	
O=C(NCCO)C1CCN(C(=O)c2cccc(CCl)c2)CC1	1336018144	WISBLNHBZJSOLF-UHFFFAOYSA-N	324.808	1.386	50	20	DDGD	
CN(C)C(=O)Cn1ccc(NC(=O)c2cccc(CCl)c2)n1	1262606599	VSLVMJWDIXBTFS-UHFFFAOYSA-N	320.780	1.962	50	20	DDGD	
COc1cc(C=NNC(=O)C2CCOCC2)cc(OC)c1OC	1349841609	WXVHUZSYGPBQBI-UHFFFAOYSA-N	322.361	1.589	50	20	DDGD	
Cc1ncccc1CC(=O)NNC(=O)COc1ccc(C#N)cc1	1345354503	MVPGMTZHKVNETC-UHFFFAOYSA-N	324.340	1.031	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc2c(c1)cc(C)c(=O)n2C	1261286089	NARYLWQQCHWCGT-UHFFFAOYSA-N	302.334	1.410	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2CCC[C@H](F)C2)cc1	1261451279	URUDRMYOHPYNJX-NWDGAFQWSA-N	309.341	1.920	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)C2CCOCC2)C[C@@H]1C	1349838561	IMFGNUZJFBNVJP-FZMZJTMJSA-N	310.394	1.885	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)cc1C(=O)O	1607809995	LYCXFBDANJVWIJ-VXGBXAGGSA-N	300.318	1.663	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H](C(=O)O)C(C)C)c1	1605157795	LHPICSWETDCFNA-AWEZNQCLSA-N	322.361	1.186	50	20	DDGD	
O=C(NCCOCC(F)F)NNc1cccc(C(=O)O)c1F	1608448522	UPZYCVVKAQBDRU-UHFFFAOYSA-N	321.255	1.432	50	20	DDGD	
N#CSCCCNS(=O)(=O)c1ccc(CC(=O)O)cc1	1601079887	VHXFTJFWHZVICZ-UHFFFAOYSA-N	314.388	1.196	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1cc(-c2nn[nH]n2)oc1C	1605916702	PSKZSUGYALXFCM-UHFFFAOYSA-N	316.296	1.973	50	20	DDGD	
O=C(OC[C@@H]1CCCO1)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1610878211	ICWWPNWAFFQWJO-VIFPVBQESA-N	311.246	1.987	50	20	DDGD	
O=C(NN=Cc1ccc(F)cc1F)[C@H]1CN2CCC[C@H]2CO1	1549312691	CEVIORDVUAGWGE-GXTWGEPZSA-N	309.316	1.278	50	20	DDGD	
Cc1c[nH]nc1C=NNC(=O)[C@H]1CCCO[C@@H]1c1ccnn1C	1549314472	IVJXKPHVXOAFHB-FZMZJTMJSA-N	316.365	1.070	50	20	DDGD	
CC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(Cl)Cl	1802341250	MZRGGNUJXYCNNS-AYMMMOKOSA-N	307.177	1.017	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1ccc(C(=O)O)cc1F	1610651361	OMVOAEJDUDAODB-UHFFFAOYSA-N	323.202	1.629	50	20	DDGD	
C[C@H](O)C(=O)N1CCC2(CCCN(C(=O)[C@H](F)Cl)C2)CC1	1810911900	BKUSGAVGTAZSRW-QWRGUYRKSA-N	320.792	1.133	50	20	DDGD	
Cc1cc(CN)oc1C(=O)NNC(=O)c1c[nH]c2ccccc12	1579597793	IWEXMPMMAFGVIT-UHFFFAOYSA-N	312.329	1.603	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2C[C@@H](N)C2(C)C)c1C	1579768423	WXIPOGRUIJGMLT-WCQYABFASA-N	320.462	1.994	50	20	DDGD	
C=C(CBr)CN1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)O	1588605348	HTODWHGLPCWYQT-VHSXEESVSA-N	320.183	1.276	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@H]1CC[C@H]2CCN[C@H]1C2	1580739534	INUXSKXASOVFNL-GUBZILKMSA-N	310.789	1.287	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)Cc1cc[nH]n1)C2	1845167051	GAEJZWXILPFXDJ-GFCCVEGCSA-N	324.812	1.173	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)CN	1847867587	YLGLVPCXEJTRKE-CYDGBPFRSA-N	315.845	1.191	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCNC1)C1CCc2ccccc2CC1	1580732514	FEZAJCZOVMJTAU-INIZCTEOSA-N	315.417	1.329	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)OCC(=O)C1(C(=O)O)CC1	1589699118	JWRPSOBYJSJSKP-QMMMGPOBSA-N	321.167	1.773	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)Cn2cccn2)C1	1843090879	QFBWHZCWHRRPQO-GFCCVEGCSA-N	324.812	1.104	50	20	DDGD	
CO[C@H](C(=O)O)C(=O)NNc1c(Cl)cc(F)cc1Cl	1593912147	YDLLPOPSDSCXDZ-QMMMGPOBSA-N	311.096	1.675	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2C[C@@H]2C(=O)O)cc1	1597081154	BIZKWDFKRVQQNE-BMMQRGARSA-N	314.341	1.829	50	20	DDGD	
COC(=O)N(C)NC(=O)Cn1cc(C(=O)O)c2ccccc21	1598875421	CFJNOEMKZILYEB-UHFFFAOYSA-N	305.290	1.069	50	20	DDGD	
Cc1c(C(=O)O)oc2c1C(=NNC(=O)c1cnsn1)CCC2	1776104861	CEVXZDGBQMHHNH-UHFFFAOYSA-N	320.330	1.608	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)O)CCC1=NNC(=O)[C@@H]1CCN1C(C)(C)C	1776098260	DNOBPCDNCNLLOL-WZRBSPASSA-N	309.410	1.852	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1c(F)cc(C(=O)O)cc1F	1776116017	PKWZNJOHESCHKN-RUDMXATFSA-N	311.240	1.760	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(C1CC1)C1CC1	163259941	KUDVUIDFNIPSOJ-CQSZACIVSA-N	316.357	1.410	50	20	DDGD	
CC[C@H]1CCN(C(=O)NNC(=O)c2c(C)nc3ccccn23)C1	151972791	RLTDFIBBVWLFRK-LBPRGKRZSA-N	315.377	1.729	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2cccc(-n3cnnn3)c2)c1	152448532	WXVXMZITKCNPIU-UHFFFAOYSA-N	305.301	1.291	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CNC(=O)CCC(C)C)c1	156522660	SQRHLGUCTMCZTG-UHFFFAOYSA-N	311.357	1.830	50	20	DDGD	
C[C@@H]1CCC[C@H](CC(=O)NNC(=O)CNC(=O)c2ccco2)C1	156824178	GYQJFGQIIFGFIG-NEPJUHHUSA-N	321.377	1.373	50	20	DDGD	
CCn1c(NNC(=O)[C@@H]2CCCCO2)nc2ccccc2c1=O	154689649	NXFYNCPTAILQFL-ZDUSSCGKSA-N	316.361	1.429	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1ccnc(-n2cccn2)c1	154894413	FHPGQHZBXCJOLK-UHFFFAOYSA-N	323.312	1.048	50	20	DDGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CC(O)(C2CC2)C1	236484910	WWLOXAWCJLABGU-UHFFFAOYSA-N	315.822	1.613	50	20	DDGD	
CCOc1ccccc1NC(=O)NNC(=O)c1ccncc1	7066994	KVFPZCMXHWRGJB-UHFFFAOYSA-N	300.318	1.947	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=S)NC2CCCCC2)n1	7677028	PHKXKNFVGSJFFJ-UHFFFAOYSA-N	309.439	1.328	50	20	DDGD	
O=C(CCOC1CCOCC1)NNc1ccc(Cl)nn1	175547971	YIIUKMBUOMHGRU-UHFFFAOYSA-N	300.746	1.159	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)NCC(F)(F)F	106251988	FBNSWVIQBVFCMT-UHFFFAOYSA-N	305.256	1.218	50	20	DDGD	
CCC(=O)c1ccc(OCCCCC(=O)NNC(C)=O)cc1	171288731	MPABCDKMDBRHBQ-UHFFFAOYSA-N	306.362	1.996	50	20	DDGD	
O=C(CCC1CCCC1)NCC(=O)NNC(=O)c1ccccc1	102321606	HEDJVTCJPWELDD-UHFFFAOYSA-N	317.389	1.534	50	20	DDGD	
Cc1noc2ncc(C(=O)NNc3ccc(Cl)nn3)cc12	118504418	LKZSKDUHRJNOEE-UHFFFAOYSA-N	304.697	1.732	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@](C)(O)c2ccco2)s1	175914072	PDZFNVISMDTTHE-AWEZNQCLSA-N	323.374	1.501	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)NC(=O)CC2CCCCC2)ncn1	172283906	BISOCHMNRLWOJA-GFCCVEGCSA-N	319.409	1.703	50	20	DDGD	
O=C(CCc1ccccc1F)NNC(=O)c1ccccc1O	22259045	JWLKUNXVZJPIHN-UHFFFAOYSA-N	302.305	1.925	50	20	DDGD	
CC(C)CNC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	65181427	LHEVJSGBPUXAAO-UHFFFAOYSA-N	316.402	1.278	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCOc1ccc(F)cc1	110758252	ZNYIUSIURYBORB-UHFFFAOYSA-N	306.297	1.087	50	20	DDGD	
CC[C@@]1(C)CCCN(CC(=O)NNC(=O)c2ccccc2)C1	173774805	LPVCOQONKCSXAG-KRWDZBQOSA-N	303.406	1.960	50	20	DDGD	
O=C(CNS(=O)(=O)CCl)Nc1ccc(F)c(F)c1F	111000351	MSBMIYYCPCFJPI-UHFFFAOYSA-N	316.688	1.158	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccn(C)n2)c1OC	179421008	IEFSUQOGXLPICO-FMIVXFBMSA-N	312.329	1.983	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNc1cccc([N+](=O)[O-])c1	178838499	QETRAFQTXAWULL-UHFFFAOYSA-N	320.330	1.529	50	20	DDGD	
Cc1nc(C(C)(C)C)sc1C(=O)NNC(=O)[C@@H]1CCCO1	61399481	JPURKCNWGYYGFU-VIFPVBQESA-N	311.407	1.689	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1NC(=O)NN[C@]1(C)CCS(=O)(=O)C1	122895782	FLWZNARZGSOBCV-MBNYWOFBSA-N	317.455	1.336	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cccnc1N(C)C	67432725	JYNVTHXLUUETIX-UHFFFAOYSA-N	314.345	1.231	50	20	DDGD	
C[C@H](NC(N)=O)C(=O)NNc1cc(C(F)(F)F)ccc1F	128560677	TYHUPWXUQKQBMP-YFKPBYRVSA-N	308.235	1.344	50	20	DDGD	
Cc1ccc(C)c(NC(=O)C(=O)NNc2cncc(Cl)n2)c1	128222264	QMIXLDUMOUGGEY-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)c1cccc(Cl)n1	126198371	OYIPKYOQWMMLJK-LBPRGKRZSA-N	317.732	1.500	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cc(-c2ccccc2)[nH]n1	120812291	NGABEKRWTQKXLG-UHFFFAOYSA-N	321.340	1.475	50	20	DDGD	
O=Cc1ccccc1OCC(=O)NNc1nnc(C2CC2)s1	184451326	VTFRJAXLMXJIST-UHFFFAOYSA-N	318.358	1.750	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)C1(O)CCCCC1	124355325	VKMKMZGGUVLXGC-UHFFFAOYSA-N	304.272	1.634	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)NCCc1cccs1	128992395	WVFPVQAZEUWOBN-JTQLQIEISA-N	301.437	1.763	50	20	DDGD	
CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1	122586499	ZOBBBWDAKIEHSH-UHFFFAOYSA-N	314.345	1.684	50	20	DDGD	
CCc1c(C(=O)NN(C)C(N)=O)cnn1-c1ccccc1OC	187726400	XUNKUFGPWVUYHE-UHFFFAOYSA-N	317.349	1.099	50	20	DDGD	
Cc1cccc(CC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c1	76710612	MUUWZRYBMKOHQC-CQSZACIVSA-N	310.419	1.030	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)NC1CC1	70449839	AUPSLDDGECUHEP-CQSZACIVSA-N	316.405	1.391	50	20	DDGD	
CN(NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)C(N)=O	181093278	ITGSUOFFESHIPF-UHFFFAOYSA-N	317.349	1.100	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(C#N)c1)c1nnc2ccccn12	45252640	ADQISZXSKCXDHP-NSHDSACASA-N	321.344	1.988	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)C(=O)NNC(=O)Cc1ccccc1F	132672666	CZYJTCKDSZKSGG-VIFPVBQESA-N	318.352	1.659	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)[C@H]1Cc2ccccc2C(=O)O1	195212394	DKSWFKZLWUKOTR-CQSZACIVSA-N	316.357	1.496	50	20	DDGD	
CCOC(=O)c1[nH]ncc1/C=C(/C#N)C(=O)NCc1ccccc1	133425697	ZWXRZZOPQODBSI-JYRVWZFOSA-N	324.340	1.810	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])C1CCN(C2CC2)CC1	193888095	DJEHYCBYKBUJSP-UHFFFAOYSA-N	304.350	1.912	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)NC1CCC1	265775486	JPAZJYZMKAHUCC-UHFFFAOYSA-N	307.350	1.347	50	20	DDGD	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NNC(=O)c1cnn(C)c1	266321187	PWYGELQLTXZNKE-BNOWGMLFSA-N	322.409	1.555	50	20	DDGD	
O=C(C[C@@H]1CSCCS1)NNC(=O)c1ccccc1O	269801181	BGBRWPVMLAVYCE-SECBINFHSA-N	312.416	1.392	50	20	DDGD	
COc1cccc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)c1	263628160	STXKJICULWSICC-UHFFFAOYSA-N	322.328	1.435	50	20	DDGD	
CC(C)(C)SCCNC(=O)NNC(=O)c1ccccc1O	263854616	BGKVIKDUBQCPLS-UHFFFAOYSA-N	311.407	1.868	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NNC(=O)N1CCN(C)CC1	365975881	AJSPNDYOYXVTKO-RYUDHWBXSA-N	322.434	1.148	50	20	DDGD	
COC(=O)NNC(=O)CCc1nc(O)c2c(C)c(C)sc2n1	274166656	AILOAELCUOKDOW-UHFFFAOYSA-N	324.362	1.334	50	20	DDGD	
CCN1CCCC[C@@H]1CNC(=O)NNC(=O)c1cccc(C)n1	279821522	GKQUDHKHHKRFFT-CYBMUJFWSA-N	319.409	1.208	50	20	DDGD	
Cc1cc(OS(=O)(=O)CBr)ccc1[N+](=O)[O-]	272904635	MQYPDEWVGAAHKH-UHFFFAOYSA-N	310.125	1.964	50	20	DDGD	
CCOc1ccccc1NC(=O)C(=O)NNC(=O)[C@@H](C)CC	274095787	VNZVZUVJVQZRQT-JTQLQIEISA-N	307.350	1.217	50	20	DDGD	
CC(C)(C)C(=O)C(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	270666819	OJESXXFRTBXGTR-UHFFFAOYSA-N	320.374	1.514	50	20	DDGD	
CSCC[C@H](O)C(=O)NNc1ncc(Cl)cc1Cl	274782619	YCJQSNKWCMLESY-QMMMGPOBSA-N	310.206	1.946	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CC2CC(c3ccccc3)C2)cn1	282657924	PQULYYABEWWGOD-UHFFFAOYSA-N	312.373	1.765	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)Nc2ccccc2Cl)CC1	289329894	XYPYLTWQJMUOAZ-UHFFFAOYSA-N	311.773	1.334	50	20	DDGD	
Cc1ncc2c(n1)CC[C@@H](NS(=O)(=O)CCCCCl)C2	372501478	HRDCYQNIZGWNAW-GFCCVEGCSA-N	317.842	1.581	50	20	DDGD	
COc1ccc(F)cc1NC(=O)C(=O)NCCSSC	285362227	UOKDHXZXWHMJEI-UHFFFAOYSA-N	318.395	1.900	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H]2CCc3cnn(C)c3C2)n1	282017601	OWMILCIOZXARPV-VIFPVBQESA-N	320.784	1.420	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)N[C@@H](C1CC1)C(F)(F)F	288478719	VBDDBIBILPJIBP-NSHDSACASA-N	316.283	1.295	50	20	DDGD	
CNS(=O)(=O)c1ccc(C(=O)NCCSSC)cc1	283883452	CKZZAOXPROMMES-UHFFFAOYSA-N	320.461	1.336	50	20	DDGD	
C[S@](=O)C1(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)CC1	282346200	XWCPXPLJIHFBQH-UOMAQRANSA-N	304.371	1.326	50	20	DDGD	
CCCNC(=O)CNC(=O)NNc1cc(C(F)(F)F)ccn1	296371024	RHIZBTRWUPYOKF-UHFFFAOYSA-N	319.287	1.253	50	20	DDGD	
CSc1cccc(NC(=O)NNC(=O)c2cnn(C)c2)n1	806781043	ULZLMVYTOHUZEY-UHFFFAOYSA-N	306.351	1.004	50	20	DDGD	
Cc1onc(-c2ccncc2)c1C(=O)NNC(=O)CC1CC1	294152098	MKHGEJFLQCRSNX-UHFFFAOYSA-N	300.318	1.606	50	20	DDGD	
Cc1ccc(CNC(=O)NNc2cccc(F)n2)c(=O)n1C	805370719	PADUJPHQCQUTQO-UHFFFAOYSA-N	305.313	1.054	50	20	DDGD	
Cc1cccc2cc(C(=O)NNC(=O)C(=O)N3CCCC3)oc12	299520422	WIXIYRTUZBUJOS-UHFFFAOYSA-N	315.329	1.125	50	20	DDGD	
CCc1oc(C=NNC(=O)NCC(F)(F)F)cc1C(=O)OC	800810621	ROHPKXBUMJCJFY-UHFFFAOYSA-N	321.255	1.824	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)C2=CCCCC2)c(O)c1	295435328	ZMPITTCJQPZDSQ-UHFFFAOYSA-N	310.375	1.723	50	20	DDGD	
CN(NC(=O)c1ccc(C(N)=S)cc1)C(=O)OC(C)(C)C	297545458	FHIXYECKKRRULT-UHFFFAOYSA-N	309.391	1.833	50	20	DDGD	
CC(C)Oc1ccc(NC(=O)NNC(=O)[C@@H]2CCCO2)cc1	292723974	SGFMUBPPVJADKN-ZDUSSCGKSA-N	307.350	1.806	50	20	DDGD	
C[C@H](NC(=O)NNc1ncccc1F)c1nnc2ccccn12	804896904	BIOJBAVHOIDNSE-VIFPVBQESA-N	315.312	1.651	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccccc2Cl)CC1)[C@@H]1CCCO1	293893737	FIARKGNUDLPJSH-ZDUSSCGKSA-N	322.792	1.989	50	20	DDGD	
CCCCN(C)C[C@@H](C)NC(=O)NNc1cccc(OC)n1	291856618	JYAPKZXQMCIKRS-GFCCVEGCSA-N	309.414	1.837	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2cccc3c2CNC3=O)n1	806753165	JFKMVHAIGNYWSA-UHFFFAOYSA-N	312.333	1.485	50	20	DDGD	
CCn1cc(CNC(=O)NNc2cccc([N+](=O)[O-])c2)cn1	807516483	OKYSXSXHHAHHED-UHFFFAOYSA-N	304.310	1.638	50	20	DDGD	
Cc1cc2c(cc1C)[C@H](C(=O)NNC(=O)[C@@H]1CCCCO1)CO2	295600437	PWLNKYRJXOQKGI-KGLIPLIRSA-N	318.373	1.496	50	20	DDGD	
N#CCc1ccc(C(=O)NNc2ccc(-n3ccnc3)nn2)cc1	804953764	CVLBEIRFHNODRA-UHFFFAOYSA-N	319.328	1.485	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2c[nH]c(C(F)(F)F)c2)O1	293970950	RXTSABNPOTWBJE-XPUUQOCRSA-N	305.256	1.362	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)c(C)n1C	298312777	SELGIPOEMSKKLO-UHFFFAOYSA-N	303.337	1.785	50	20	DDGD	
C[C@H](Sc1ccccc1C(=O)NN=c1cc[nH]cc1)C(N)=O	801186632	NSTFJAJRVMOEJM-JTQLQIEISA-N	316.386	1.226	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)[C@H]1CCCCO1)c1cccc(O)c1	297390438	WJRGNQUBQJTOLG-ZWNOBZJWSA-N	307.350	1.353	50	20	DDGD	
COc1cccc(C(=O)NNc2ncccc2F)c1[N+](=O)[O-]	804213612	QSXGUSNCUKOOND-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1ccc([C@@H]2CCOC2)cc1	297419173	OKFRIEJHEHAXEL-OCCSQVGLSA-N	319.361	1.522	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@H](CO)c2ccccc21	814679596	SZIKUPJLARNMSR-QWHCGFSZSA-N	319.405	1.165	50	20	DDGD	
CN(C)c1ccc(-c2cncc(C(=O)NNc3nc[nH]n3)c2)cc1	816632765	XLYXJMPCBIZBSS-UHFFFAOYSA-N	323.360	1.690	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CCCCCC(=O)C2)nc1	813501365	XVTRNSRIMIOBGE-LLVKDONJSA-N	319.361	1.851	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)OC(C)(C)C)c1c[nH]nc1C	814890523	RIDKFRXJTRKYIB-UHFFFAOYSA-N	323.397	1.863	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@@H]1C[C@@H](c2ccccc2)OC1=O	811526041	PDAGQQLYFWDXBS-RYUDHWBXSA-N	315.304	1.968	50	20	DDGD	
Cn1c(CC(=O)NN=C[C@@H]2CCCOC2)nc2ccccc21	814737822	LSBOPEWZESDPGH-LBPRGKRZSA-N	300.362	1.644	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NOC/C=C\Cl)c1	811851564	IUDCURSDBUFTAC-UTCJRWHESA-N	313.741	1.388	50	20	DDGD	
COCc1cc(Cl)cc(S(=O)(=O)NNC(=O)C(C)C)c1	811677983	OFNQFSFURLQDJH-UHFFFAOYSA-N	320.798	1.452	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNC(=O)c1ccnnc1	817693492	PQENMBSAVYEXKV-MNOVXSKESA-N	302.359	1.411	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NN=C1CCC[C@H](C#N)C1	814851143	GINQJCOJRWAWPH-NSHDSACASA-N	323.397	1.880	50	20	DDGD	
O=C(CC1CC(c2ccccc2)C1)NNC(=O)c1ccnnc1	817693142	JFSSCZJCXXCZKX-UHFFFAOYSA-N	310.357	1.822	50	20	DDGD	
CC(=O)NC[C@H](CC(=O)NNc1cc(C)nc(C)n1)CC(C)C	825945220	LGHPVLMYKFSYLY-AWEZNQCLSA-N	321.425	1.725	50	20	DDGD	
CC(CSC(C)(C)C)=NNC(=O)[C@@H]1CCS(=O)(=O)C1	729635400	RLFXEYCPLNKDFU-SNVBAGLBSA-N	306.453	1.445	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)C2=COCC2)cc1OC	727764565	ARJSZRTZFMIQKW-UHFFFAOYSA-N	320.345	1.549	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)C(C)(C)c2ccccc2)c(N)n1	826921091	NZFQPOPQOHSVGW-UHFFFAOYSA-N	313.361	1.106	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)OC[C@@H]2CN(C)C(=O)O2)cc1	496061768	NNEHATDPVQOEKO-GMMCIKNFSA-N	316.313	1.596	50	20	DDGD	
CCOCCNC(=S)NNC(=O)CCCc1ccccc1	727705012	MMNFCYYTDDVYSD-UHFFFAOYSA-N	309.435	1.541	50	20	DDGD	
CN(C)c1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)c2cc[nH]n2)cc1	824835603	YKHPGYGVRAGRFJ-QWHCGFSZSA-N	313.361	1.040	50	20	DDGD	
O=C(NNC(=S)NCCc1ccccn1)Nc1ccccc1	726124108	ZXBMNZCPELAUKR-UHFFFAOYSA-N	315.402	1.825	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@H](CO)Cc2ccccc2)cn1	491079495	AOYYJLURJJXEMS-FWHZQNPKSA-N	324.384	1.294	50	20	DDGD	
CCn1ncc(C)c1NC(=O)NNC(=O)CCc1ccccc1	825156225	SLEGLRNJCZHENK-UHFFFAOYSA-N	315.377	1.997	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)Cc2ccncc2)cc1	492084433	MMQYSMXUEQORHV-QPJJXVBHSA-N	311.341	1.494	50	20	DDGD	
CC(C)[C@@H]1C[C@H](NC(=O)NNC(=O)OC(C)(C)C)CCO1	494484735	IHKOOPOBONUPSE-MNOVXSKESA-N	301.387	1.929	50	20	DDGD	
C[C@H]1CCCN(c2cc(C(=O)NN(C)[C@@H](C)CO)ccn2)C1	823922631	LJMVPSGQDQTCDP-STQMWFEESA-N	306.410	1.275	50	20	DDGD	
COCC[C@@H](C=NNC(=O)NC(C)C)NC(=O)OC(C)(C)C	495995278	UQOMPSZDGXYKHJ-NSHDSACASA-N	316.402	1.610	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCc1ccccc1	825525867	JYLYLHYFOWJWAA-OCCSQVGLSA-N	305.378	1.375	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)N=c2cc[nH]cc2)cc1	726871559	BZEPUDZCLTXVTG-UHFFFAOYSA-N	301.375	1.835	50	20	DDGD	
C#CC[C@@H](CO)NC(=O)/C(C#N)=C\c1cc(C)n(CCC)c1C	820060102	UJIRYTUMHSUBFK-RNIVLKNTSA-N	313.401	1.922	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1F	825638921	IRAHCZBIXHVMNI-ZYHUDNBSSA-N	309.341	1.390	50	20	DDGD	
O=C(NNc1c(F)cccc1F)c1cc(-c2nn[nH]n2)cs1	823280554	ATSGXMONWBWZMF-UHFFFAOYSA-N	322.300	1.963	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H](C)Oc1cc(C)ccc1Cl	823852979	VTSCZGLEJDUPMM-LLVKDONJSA-N	300.786	1.761	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21)Nc1cc(F)cc(F)c1	908049155	AUQPWRNBVVBJPM-YUSALJHKSA-N	309.272	1.343	50	20	DDGD	
C=CCNc1ncc(C(=O)NNC(=O)NCC(F)(F)F)s1	907967149	KMYHZMCRPQVHKH-UHFFFAOYSA-N	323.300	1.247	50	20	DDGD	
CC(C)(C=NNC(=O)N=c1cc[nH]cc1)NC(=O)OC(C)(C)C	495651418	MCKHTPLTYZMNIQ-UHFFFAOYSA-N	321.381	1.914	50	20	DDGD	
C[C@@H](c1ccccc1)N1CC[C@H](NCc2cccc(B(O)O)c2)C1	585021571	BIQWTTMOPLNZCG-KXBFYZLASA-N	324.233	1.292	50	20	DDGD	
CN(C)c1ccncc1C=NNC(=O)CNC(=O)OC(C)(C)C	494625251	QBCNWZKLBAFKNE-UHFFFAOYSA-N	321.381	1.122	50	20	DDGD	
O=C(/C=C/SCc1ccco1)NNC(=O)c1ccccn1	492107242	HIBGRJNXQXCARZ-RMKNXTFCSA-N	303.343	1.883	50	20	DDGD	
COC(=O)NN=Cc1ccc(C(=O)OC)cc1Br	495601498	IZBGVLMQSYXEEF-UHFFFAOYSA-N	315.123	1.926	50	20	DDGD	
CCC[C@H](NS(=O)(=O)c1ccc(CCCl)cc1)C(=O)O	833649257	IYHBDBXUOSMHER-LBPRGKRZSA-N	319.810	2.000	50	20	DDGD	
C[C@H](OC[C@@H]1CCCCO1)C(=O)NNc1ccccc1C(=O)O	833536679	UETVCGADRWEGGD-RYUDHWBXSA-N	322.361	1.802	50	20	DDGD	
CC(=O)N1CCC[C@@H](C(=O)NNc2ccccc2C(=O)O)C1	833393754	LXOPYQRHPGRJJY-LLVKDONJSA-N	305.334	1.086	50	20	DDGD	
CC(C)Cc1ncc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cn1	831760159	UHCXYUKIIRHOHE-JQWIXIFHSA-N	321.381	1.253	50	20	DDGD	
Cn1c(C(=O)NNC(=O)[C@@H]2CCCCO2)cc2ccccc21	833256139	KZINXZJOCNQSNH-AWEZNQCLSA-N	301.346	1.508	50	20	DDGD	
Cc1cc(F)ncc1C=NNC(=O)CCNC(=O)OC(C)(C)C	901217546	YAXZGOQIBYAQSW-UHFFFAOYSA-N	324.356	1.894	50	20	DDGD	
CCCN1C[C@H](C(=O)NNc2nccc3sccc23)CC1=O	839684637	YCWIYGZLJCJHRG-SNVBAGLBSA-N	318.402	1.998	50	20	DDGD	
CC(C)c1nnc(CNC(=O)[C@@]2(C)C[C@@H]2Br)n1C	907240874	QCYPFSYGTWIPRY-UFBFGSQYSA-N	315.215	1.728	50	20	DDGD	
C[C@@H](CCCC(F)(F)F)NC(=O)c1cc(B(O)O)ccc1F	584981224	AFOVDTJVAVZUAJ-QMMMGPOBSA-N	321.079	1.356	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)OCCO[C@@H]2CCCCO2)cn1	837971496	PBQJZIAQOJCXFT-MAUPQMMJSA-N	305.334	1.413	50	20	DDGD	
CC1CCN(C[C@H](C)C(=O)NN=Cc2cc(C(=O)O)co2)CC1	901153493	IGWGTDVNRWSVCK-LBPRGKRZSA-N	321.377	1.796	50	20	DDGD	
CCCNC(=O)NN=Cc1ccccc1O[C@@H](C)C(=O)OC	901177453	SFJQUXPOUARTNT-NSHDSACASA-N	307.350	1.670	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)NC1CN(C(=O)O)C1	831742751	POUQICWTDFIAHK-UHFFFAOYSA-N	304.228	1.092	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H]2CCCNC2=O)c(Cl)c1	838779601	PTFPWJMTWKUSCX-SNVBAGLBSA-N	310.785	1.801	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21)Nc1ccc(Cl)cc1	908051036	GCQKYVHHASGRDA-YUSALJHKSA-N	307.737	1.718	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@@H]2CCc3ccccc3O2)n1	839688617	QHTUDDSFDBQIAZ-ZDUSSCGKSA-N	313.361	1.380	50	20	DDGD	
Cc1[nH]c(C(=O)O)c(C)c1C(=O)NNC(=O)NC1CCCCC1	832845685	LAXUXJSCLXBQHQ-UHFFFAOYSA-N	322.365	1.606	50	20	DDGD	
CC(C)=CCC[C@H](C)NC(=O)NNC(=O)Cn1nc(C)cc1C	838656468	MTGQBGBXPULRNF-LBPRGKRZSA-N	321.425	1.965	50	20	DDGD	
Cc1cc(NNC(=O)CN(C)C(=O)O)ccc1Br	738461419	BQJITOLWWXKYBP-UHFFFAOYSA-N	316.155	1.810	50	20	DDGD	
C[C@H](c1ccccc1)N1CC[C@@H](NCc2cccc(B(O)O)c2)C1	585021568	BIQWTTMOPLNZCG-DNVCBOLYSA-N	324.233	1.292	50	20	DDGD	
CCC[C@H]1CCCC[C@H]1CNC(=O)NNC(=O)C(=O)NC1CC1	838723546	PIZPRTZTVNGRHM-RYUDHWBXSA-N	324.425	1.202	50	20	DDGD	
CO[C@H](C(=O)NNc1cccc(Br)n1)C1CC1	837213522	YQBMQGMFGTYBTF-JTQLQIEISA-N	300.156	1.712	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1cccc(-c2ccncc2)c1	833384062	ARVANKQUQMPOJW-UHFFFAOYSA-N	312.329	1.856	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NNc1cccc([N+](=O)[O-])c1	830761827	HADWSLUFOKAMIY-VXGBXAGGSA-N	301.306	1.575	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1ccccc1F)c1ccn(C)n1	838772682	HMBUZXYWCBSNSG-JTQLQIEISA-N	319.340	1.193	50	20	DDGD	
O=C(NCB(O)O)c1ccc(Oc2ccccc2Cl)cc1	585063190	ZYSCWORVBIXZIB-UHFFFAOYSA-N	305.526	1.874	50	20	DDGD	
CC(C)CN1CCC(NC(=O)NNC(=O)CC(F)(F)F)CC1	918065904	YEHWXBWWTACBFE-UHFFFAOYSA-N	324.347	1.390	50	20	DDGD	
COc1ccc(C2=NO[C@H](CNS(=O)(=O)CCl)C2)cc1	831404674	STVDFNNUAXPXFY-NSHDSACASA-N	318.782	1.304	50	20	DDGD	
COC(=O)[C@@H](CNS(=O)(=O)CCl)Cc1cccc(C)c1	830414631	LCHGGGYOZJBLQF-GFCCVEGCSA-N	319.810	1.442	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccnc(C(=O)O)c2)cc1	830232142	BIERQQSYLNOATA-UHFFFAOYSA-N	313.313	1.417	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(C)cc2O)cn1	918337748	UHRIXPHAODNGNY-UHFFFAOYSA-N	301.302	1.179	50	20	DDGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCCO)c1C	913150816	IOQKLXLUZNLVMR-AZZDOICSSA-N	306.362	1.755	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)OC(C)(C)C)c(-c2cccnc2)n1	743842300	STHWJVBGRWCRIE-UHFFFAOYSA-N	317.349	1.652	50	20	DDGD	
O=C(NNc1c(F)cccc1F)[C@H]1CCCN1c1ncccn1	748161446	LEMBNMSPIPBWCY-GFCCVEGCSA-N	319.315	1.867	50	20	DDGD	
CN(NC(=O)c1cn(Cc2ccccn2)nn1)c1ccccc1	743291095	GAARDTFYCAFPMB-UHFFFAOYSA-N	308.345	1.503	50	20	DDGD	
COC(=O)NNC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1	158843459	JFRAMWXQCZBJGX-ZJUUUORDSA-N	313.151	1.940	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H](C)CCCN)cc1C	841999601	MDZQIYUQQVFORV-ZDUSSCGKSA-N	322.409	1.140	50	20	DDGD	
CCCN(CC(=O)NNC(=O)C(C)(C)C)Cc1ccccc1O	744391998	AVFRGRLCQXDWDE-UHFFFAOYSA-N	321.421	1.798	50	20	DDGD	
COC(=O)NN=C(C)c1ccc(O)c(CN2CCOCC2)c1	916266689	RXRQURVSYRZAKN-UHFFFAOYSA-N	307.350	1.304	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1Cl	843655330	VBYOKDLWPAQRPI-BDAKNGLRSA-N	314.773	1.051	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1cn(-c2ccccc2)nn1	842549246	IPDPEQDWTCQFSF-GXTWGEPZSA-N	313.361	1.533	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC2CCC(N)CC2)c(F)c1	841945433	LDXVQCSGGNRZIF-UHFFFAOYSA-N	324.356	1.508	50	20	DDGD	
COc1ccc(CCCCC(=O)NN(C)[C@@H](C)CO)cc1OC	911445139	NBPUZAJYVVXFIR-ZDUSSCGKSA-N	324.421	1.760	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)CSc2ccccc2O)C1	843840831	GNIPEQVVVSTCAU-SECBINFHSA-N	308.359	1.001	50	20	DDGD	
O=C(C[C@@H]1CCOC1)NNc1ncc(Br)cn1	848321285	OHGXHHDHXVTSBC-ZETCQYMHSA-N	301.144	1.109	50	20	DDGD	
O=C(NNc1ncccn1)[C@@H](C[C@H]1CCCO1)C(F)(F)F	845164493	ZOYBTTOUDAXBNL-RKDXNWHRSA-N	304.272	1.667	50	20	DDGD	
C[C@@]1(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)C[C@@H]1Br	912058346	JBBPDXWMLKXNQB-ZJQBRPOHSA-N	310.191	1.934	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cnc3n2[C@@H](C)CCC3)n1	845701061	WNOZWWGOOFTUJI-JTQLQIEISA-N	316.365	1.644	50	20	DDGD	
COc1ccc(C(=O)NNc2ncnc3[nH]cnc23)cc1F	743472716	CRNAPRAQOLZNSU-UHFFFAOYSA-N	302.269	1.258	50	20	DDGD	
CN(C)CCn1ccc(C(=O)NNc2cccc(Cl)c2)n1	847315449	JUBMASAPLOMOTI-UHFFFAOYSA-N	307.785	1.855	50	20	DDGD	
O=C(NN=C/C=C\c1ccccc1[N+](=O)[O-])C(=O)N1CCCC1	748137394	CXJCGTUOGUGTEB-WQHGMTQVSA-N	316.317	1.332	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNC(=O)c2cc3c(s2)CCC3)o1	746797005	XAWDJWCWECIARB-UHFFFAOYSA-N	319.342	1.004	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)NC[C@H](N)C(C)C)cc1	841943144	HFZSBDYAQXOUAU-ZDUSSCGKSA-N	324.450	1.401	50	20	DDGD	
C[C@@H](CCN)NC(=O)NNc1ccccc1OC(F)(F)F	841966881	HJJFJVANWVYFOV-QMMMGPOBSA-N	306.288	1.949	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2ccc(C#N)cc2)[C@H](C)[C@H]1C	841583228	UWOGMYPOPJAEBO-GRYCIOLGSA-N	300.362	1.889	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](C#N)CCc1ccccc1	840572650	VSWKLQGWBASZHQ-ZDUSSCGKSA-N	311.345	1.701	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H]1CCCC[C@H]1CN	841951082	WCZQGQYMWYCOEG-WCQYABFASA-N	320.393	1.157	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc([N+](=O)[O-])c1	843649761	XEJGFDPUVJRXMF-BXKDBHETSA-N	307.306	1.089	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)ccc1OCC#N	842559017	STFCSAGJLCOGLR-DGCLKSJQSA-N	317.345	1.473	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	843657353	QKKISTSZZUSRQN-GWCFXTLKSA-N	320.345	1.049	50	20	DDGD	
CC(=O)Nc1c(C)cccc1C(=O)NNC(=O)CC(F)(F)F	855000443	BKQLLNYSNSWDLQ-UHFFFAOYSA-N	317.267	1.667	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(CCN1CCOCC1)CC1CC1	856072579	SDHRJFVCTCCJSV-FYWRMAATSA-N	307.394	1.001	50	20	DDGD	
Cc1nc(CCCC(=O)NNC(=O)CC(F)(F)F)cs1	750238821	RVAJDTGZSDNHAI-UHFFFAOYSA-N	309.313	1.874	50	20	DDGD	
CCC[C@@H]1CCCC[C@H]1CNC(=O)NNC(=O)c1cn[nH]c1	858524880	LHFWQSAYRBSQAU-NEPJUHHUSA-N	307.398	1.960	50	20	DDGD	
C/C=C/COc1cccc(CC(=O)NNc2cnnn2C)c1	857270701	LHSGWUGQRLKNOW-ONEGZZNKSA-N	301.350	1.456	50	20	DDGD	
C[C@@H]1C(=O)N(C)CCN1C(=O)NC[C@@]1(C)C[C@H]1Br	856903806	UWEYELDEGJCSPQ-KBVBSXBZSA-N	318.215	1.032	50	20	DDGD	
CO[C@](C)(C1CC1)[C@@H](C)NC(=O)NNc1ncc(Cl)cn1	856915464	DAWROBOJVVUDCK-OQPBUACISA-N	313.789	1.960	50	20	DDGD	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NN=C[C@@H]2C[C@H]2C)cc1	758367593	NLNCLTNONUXKKE-OLZOCXBDSA-N	323.418	1.374	50	20	DDGD	
CSCCCN(C)C(=O)NNC(=O)c1cccc(F)n1	852708675	AWKFESLMEQFBEE-UHFFFAOYSA-N	300.359	1.260	50	20	DDGD	
CC[C@H](C)n1ncc2c(C(=O)NNC(=O)NC)cc(C)nc21	751360296	ADIOXUJZGLWFFZ-VIFPVBQESA-N	304.354	1.285	50	20	DDGD	
NNC(=O)c1c(NC(=O)c2cccnc2)sc2c1CCCC2	920434014	XDMJUBZXTRILEM-UHFFFAOYSA-N	316.386	1.878	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1cc(C)ccc1F	853389499	KVYCQCNGLSRGHI-CJNGLKHVSA-N	319.380	1.838	50	20	DDGD	
O=C(CN(C1CC1)C1CC1)NNC(=O)c1ccccc1Cl	859624664	YUVXAPYTQXXFPU-UHFFFAOYSA-N	307.781	1.728	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2cc(C(N)=O)cs2)c1	759319886	ZLBOJVXTRFLLCR-UHFFFAOYSA-N	309.322	1.752	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNc2nc(-c3cccnc3)no2)[C@H]1C	859314870	AVSMXXUUCXTTHX-UXCLJVHYSA-N	317.349	1.634	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CCc1ccccc1O)c1cnn(C)c1	750236725	RHKQDYIRFFYXCY-LLVKDONJSA-N	316.361	1.009	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1cccc2c1OC(F)(F)O2	852690916	BKOCREGMCDPQII-UHFFFAOYSA-N	315.276	1.495	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC(C)(C)[C@H]1c1ccncc1	854042502	NPKVFUYNHJFWFJ-CQSZACIVSA-N	318.421	1.658	50	20	DDGD	
C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)C1CCCC1	750470295	CJZCCWBBLIBADG-GFCCVEGCSA-N	318.373	1.817	50	20	DDGD	
CCOC(=O)C1(C(=O)NC[C@@]2(C)C[C@H]2Br)CC1	857690458	UBUVPGLIOFWDQS-LDYMZIIASA-N	304.184	1.619	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)COc2ccc(C)c(C)c2)o1	753887385	GSHFKJJUFGGWHV-UHFFFAOYSA-N	316.357	1.974	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCC[C@@H]2CCCN(C)C2)c1	858534628	CSSNKDPYSQVWGL-LBPRGKRZSA-N	324.450	1.732	50	20	DDGD	
CCc1ncc(C=NNC(=O)C(=O)Nc2ccccn2)s1	758389201	IOPIXLJMHMURQE-UHFFFAOYSA-N	303.347	1.189	50	20	DDGD	
CSC(C)(C)C(=O)NNC(=O)c1cc(Br)c[nH]1	854291796	NAFQCXUOAKDIGN-UHFFFAOYSA-N	320.212	1.680	50	20	DDGD	
CCc1nc([C@H](C)NCC(=O)NNC(=O)C(C)(C)C)cs1	754795503	YWJNBHURDHUIOS-VIFPVBQESA-N	312.439	1.550	50	20	DDGD	
CO[C@](C)(C(=O)O)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	852945075	ACAHLBGXQBBDTP-NSHDSACASA-N	317.685	1.181	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C1=C(C)N(C(C)C)CC1	932429299	KOLBGBXLHWJYEP-UHFFFAOYSA-N	317.389	1.844	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1c[nH]nc1C(C)(C)C)C1CC1	855097628	VDUZONBLQYCPIJ-MRVPVSSYSA-N	309.439	1.615	50	20	DDGD	
C[C@@](NC(=O)NNC(=O)c1cccnn1)(C1CC1)C(F)(F)F	933561859	XANKHWJNUDPXPM-LLVKDONJSA-N	317.271	1.152	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C=NNC(=O)c1ccccn1	853255258	YZYYWWSDURRDIH-GXTWGEPZSA-N	313.361	1.699	50	20	DDGD	
CCc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)s1	853387476	AGKHCPJUVDMZLI-RISCZKNCSA-N	307.419	1.624	50	20	DDGD	
CN(CC(C)(C)CN)C(=O)NC[C@@]1(C)C[C@@H]1Br	857105366	KGZWCVOQENOBMJ-JOYOIKCWSA-N	306.248	1.786	50	20	DDGD	
Cc1ccc(-c2nc(C(=O)NNC(=O)C3CC3)cs2)n1C	758054197	KDDMHKDMXYNSAL-UHFFFAOYSA-N	304.375	1.628	50	20	DDGD	
Cc1nn2c(C=NNC(=O)c3cc[nH]n3)c(C(C)C)nc2s1	853391916	DHLLWZTYNGLAEL-UHFFFAOYSA-N	317.378	1.710	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1c[nH]cc1Cc1ccccc1	935562803	IIVCSZYKMXMOJF-UHFFFAOYSA-N	301.346	1.137	50	20	DDGD	
CC[C@H]1CN([C@@H](CC)C(=O)NN=c2cc[nH]c(C)c2)CCO1	862513825	LRNRPEKMKDACEZ-GJZGRUSLSA-N	306.410	1.144	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNc1cccc(S(C)(=O)=O)c1	860625081	IRWRTBZFHLNWSP-CYBMUJFWSA-N	314.407	1.738	50	20	DDGD	
CO[C@@H]1COCC[C@@H]1CNS(=O)(=O)CC(C)(C)CCl	867344028	CNMGGEJAXRIYJI-GHMZBOCLSA-N	313.847	1.222	50	20	DDGD	
CNc1c(C(=O)NNC(=O)c2ccc[nH]2)cccc1[N+](=O)[O-]	765362475	KKVPVGGUAKFBBX-UHFFFAOYSA-N	303.278	1.039	50	20	DDGD	
CCN(CC(=O)NNc1ncc(F)cn1)C(=O)OC(C)(C)C	760930042	ZPPPPZDEZBEWKO-UHFFFAOYSA-N	313.333	1.316	50	20	DDGD	
CN(NC(=O)[C@H]1[C@H]2c3cc(Br)ccc3C[C@H]21)C(N)=O	867127164	LNGXLCDZNDUXFY-OUAUKWLOSA-N	324.178	1.377	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1cc2ccccc2s1	869911733	KOZJHDHDKOJKAK-UHFFFAOYSA-N	308.359	1.325	50	20	DDGD	
CC(C)(C)CC(=O)NCC(=O)NNCC(F)(F)C(F)(F)F	863094049	BUQWHMMFYJZCCS-UHFFFAOYSA-N	319.274	1.357	50	20	DDGD	
COc1ccc(CNS(=O)(=O)CC(C)(C)CCl)nc1	867195178	DFFHUOMXRKFYHB-UHFFFAOYSA-N	306.815	1.775	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21	932468871	RLYHDYVEWKZFCW-NVRFYQKYSA-N	311.345	1.867	50	20	DDGD	
COc1ccc(CCC(C)=NNC(=O)[C@@H]2CCC(=O)N2)cc1O	863153049	LTORLYQNPJJHCI-LBPRGKRZSA-N	319.361	1.104	50	20	DDGD	
Cc1cc(=NNC(=O)CCS(=O)(=O)C2CCCC2)cc[nH]1	862510661	OYRUFGMOOUTVIY-UHFFFAOYSA-N	311.407	1.003	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1c[nH]c2cccnc12	863099660	IJSIJFGHXRKNLL-UHFFFAOYSA-N	308.210	1.995	50	20	DDGD	
COCCOCC(=O)NNC(=O)C1(c2ccccc2)CCCC1	869913129	VMEVXMRPPRUTCG-UHFFFAOYSA-N	320.389	1.309	50	20	DDGD	
Cc1cccc(C)c1CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C	1118124323	BUKKNILSRUDBIW-STQMWFEESA-N	305.378	1.559	50	20	DDGD	
BrC[C@@H](CN1CCN(c2nc[nH]n2)CC1)C1CC1	878824692	LVNYBOXLLOSUGL-NSHDSACASA-N	314.231	1.348	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1cccc(OC(F)F)c1	872403958	ZIISNSYGSDUACP-UHFFFAOYSA-N	316.304	1.791	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)Nc1ccc(F)c(F)c1F	877926124	JLKGDPLWIWBXPC-UHFFFAOYSA-N	317.267	1.683	50	20	DDGD	
CCOC(=O)c1cnc(C)c(C(=O)NNc2ccccn2)c1	777471679	XHSFIQIIPLXNCT-UHFFFAOYSA-N	300.318	1.719	50	20	DDGD	
O=C(NN=C1CC2(CCC2)C1)C(=O)NN=C1CC2(CCC2)C1	772831090	RZJRFFAHXLJIBJ-UHFFFAOYSA-N	302.378	1.859	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@H](C)c1cc(C)ccc1OC	774823667	LDKRRWNZDRVLAD-VXGBXAGGSA-N	307.394	1.600	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@](C)(CC)CC(=O)O)cc1	872830914	BIHZRTXLKNZRBA-MRXNPFEDSA-N	306.362	1.901	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)c2ccccn2)c1C	772358826	VFZZOZHXHPPHKX-UHFFFAOYSA-N	301.350	1.461	50	20	DDGD	
Cc1cc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)c(C)n1C	771875843	VENFHICFZWCMAR-LBPRGKRZSA-N	323.393	1.381	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2ncccc2[N+](=O)[O-])cc(O)n1	775613199	JWHATHDCVXLFCM-UHFFFAOYSA-N	317.305	1.971	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccccc1CN1CCOCC1	878371607	YGMKULQCOODUTO-UHFFFAOYSA-N	322.409	1.134	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccn(C2CCCC2)n1	772189644	GBEXEWDYHZWEOX-SNVBAGLBSA-N	322.365	1.101	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	877899671	CFZOQSXNANXWOG-ZIBATOQPSA-N	322.336	1.167	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2C	875225153	BLROUWCIBYQINJ-SECBINFHSA-N	320.349	1.179	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1	779823982	XJIKCLIFSJEISH-UHFFFAOYSA-N	314.685	1.054	50	20	DDGD	
CCCCO[C@@H]1C[C@H](NC(=O)NN(C)C(=O)OC)C1(C)C	875344489	JCIQOFRJFDJWTP-WDEREUQCSA-N	301.387	1.883	50	20	DDGD	
Cn1c(=NNC(=O)NCCC(C)(C)O)sc2ccccc21	773689720	XCQITVJBXKBPOV-UHFFFAOYSA-N	308.407	1.516	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NCc2ccco2)cnn1C(C)C	770710871	OMVXHNIUOKJFQT-UHFFFAOYSA-N	305.338	1.510	50	20	DDGD	
Cc1cc(O)c(C=NNC(=O)CNC(=O)OC(C)(C)C)cc1C	777904169	KVOLIYWWLAFHCW-UHFFFAOYSA-N	321.377	1.984	50	20	DDGD	
Cc1ccc(F)cc1C=NNC(=O)[C@@H](C)CN1CCOCC1	777879131	HJRVYHXIPBJIQL-ZDUSSCGKSA-N	307.369	1.553	50	20	DDGD	
C/C=C\C(=O)NNC(=O)c1nn(CCC)c(=O)c2ccccc12	884875180	RYYHSIDZAJQGPK-CLTKARDFSA-N	314.345	1.144	50	20	DDGD	
CC[C@H]1CCCC[C@H]1CNC(=O)NNC(=O)C1CCOCC1	883672622	LDRMJDWHICCVSL-JSGCOSHPSA-N	311.426	1.960	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21)c1cccnn1	882058411	GPEZITPBDGHIPJ-RWMBFGLXSA-N	302.378	1.844	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=O)c2cccc(F)n2)c1C	1120754799	AFHSTDCGSBYKOR-UHFFFAOYSA-N	305.313	1.210	50	20	DDGD	
C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)NNC(=O)C1CCOCC1	883458308	DNJHJKJTCOLJGR-YOEHRIQHSA-N	317.389	1.474	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc2c(OC)ccc(F)c2[nH]1	887148056	MJCJZKFFWJFSOD-UHFFFAOYSA-N	317.320	1.880	50	20	DDGD	
C[C@H](CCc1ccc(F)cc1)C(=O)NNC(=O)C1CCOCC1	883072502	OIYAFJOERWUCCQ-GFCCVEGCSA-N	322.380	1.968	50	20	DDGD	
CN(NC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1	787885090	QJQOVNATQXIPQN-GFCCVEGCSA-N	304.394	1.736	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)[C@H]1CCS(=O)(=O)C1	885123784	HAJQFZOFLASSBP-VIFPVBQESA-N	302.783	1.526	50	20	DDGD	
CCO[C@@H](CC(=O)NNC(=O)c1ccc(C)c(O)c1)C(C)C	882048561	CISILYKZKUAQDE-AWEZNQCLSA-N	308.378	1.913	50	20	DDGD	
COc1cc(C)ccc1C(=O)NNC(=O)Cn1nc(C)cc1C	780172734	ZABLJTJPEPOVNG-UHFFFAOYSA-N	316.361	1.278	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1CCC[C@H](S(C)(=O)=O)C1	788421483	UIPUXSHHAXZMCI-ZDUSSCGKSA-N	317.455	1.178	50	20	DDGD	
CCOc1ncccc1NC(=O)C(=O)NNc1cc(C)ccn1	783931438	QCURYNDNEPJZLK-UHFFFAOYSA-N	315.333	1.266	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNC(=O)C(C)C)cc1OC	781139972	VMCVNSFGQFPLAY-NSHDSACASA-N	308.378	1.686	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H](C)c2c(C)nn(C)c2C)n1	780770052	AGHJAQSLYSKYDW-VIFPVBQESA-N	303.366	1.687	50	20	DDGD	
CCN(CC)CCSCC(=O)NNC(=S)NC(C)(C)C	899995451	QMCFUZYLHFDHAB-UHFFFAOYSA-N	320.528	1.355	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@@H]1CCC=CO1	780755699	PMISUKRGGVPKHY-NSHDSACASA-N	305.334	1.332	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2ccc3c(c2)OCO3)n1	794076202	NRBFOYYMIGFCNK-UHFFFAOYSA-N	313.313	1.122	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)Cn1ccc2ccccc21	795080724	MGXLOPYXTJIZHU-INIZCTEOSA-N	303.362	1.604	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@@H]1Cc2ccc(F)cc21)C1CC1	798127361	IPTSXGUCUHDLLD-AMIZOPFISA-N	307.394	1.759	50	20	DDGD	
CCS[C@@H]1CCC[C@H]1NCC(=O)NNC(=O)C(C)(C)C	794604368	LRSYYGBOTZDFAB-GHMZBOCLSA-N	301.456	1.444	50	20	DDGD	
CN1C(=O)COc2cc(NC(=O)NNC(=O)C(C)(C)C)ccc21	799246244	STXQYIOOLDRQRV-UHFFFAOYSA-N	320.349	1.241	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNc1nc2ccccc2c(=O)n1C	793500979	XABXPZCHQLUICE-GXFFZTMASA-N	318.377	1.438	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@H]2N(C)CCCC2(C)C)n1	790536886	AGNCZQSVXUHPOJ-GFCCVEGCSA-N	321.425	1.837	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@H](c1ccccc1)C(C)(C)C	1318877430	RMGVNYMRBWVRKY-LLVKDONJSA-N	307.350	1.277	50	20	DDGD	
CN(NC(=O)c1cc(-c2ccc(Cl)cc2)nn1C)C(N)=O	1319989132	LQNYGYZJEFJRQH-UHFFFAOYSA-N	307.741	1.396	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2CCC[C@H]2CCO)cc1	1320619053	SYQPBXGSIZYJHH-FZMZJTMJSA-N	321.377	1.190	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)CCl)CCC2	1320465765	MECUYNZEBVLLEK-UHFFFAOYSA-N	316.810	1.455	50	20	DDGD	
COCc1ccc(NC(=O)C(=O)NNc2cc(C)ncn2)cc1	1320995649	ATUUPHIRCNSLBZ-UHFFFAOYSA-N	315.333	1.013	50	20	DDGD	
CCC(C#N)(CC)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	1328701053	AKBOAZGJBRGQKZ-UHFFFAOYSA-N	316.361	1.411	50	20	DDGD	
CCN(CCI)[C@H](C)CS(C)(=O)=O	190888977	QSZCNFOPTRAQOF-MRVPVSSYSA-N	319.208	1.176	50	20	DDGD	
N#Cc1cccc(NC(=O)C(=O)NNc2cncc(Cl)n2)c1	1320569432	MDYKVJOVJFSQJN-UHFFFAOYSA-N	316.708	1.083	50	20	DDGD	
Cc1cccc(CO[C@@H](C)C(=O)NNC(=S)NC(C)C)c1	1331902271	SFZVEZYAGLULSA-LBPRGKRZSA-N	309.435	1.804	50	20	DDGD	
Cn1cc(C(=O)NN=C2CCC(C)(N3CCCC3)CC2)nn1	1333642071	GBKFFRFZUUMULK-UHFFFAOYSA-N	304.398	1.329	50	20	DDGD	
C[C@H](NNC(=O)[C@H]1COc2ccc(F)cc2C1)C(F)(F)F	1351716025	JVXJQFPRMISBJP-IONNQARKSA-N	306.259	1.948	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1cc(C(=O)O)ccc1F	1608484126	LBRXXZUJDQTKRI-UHFFFAOYSA-N	309.232	1.602	50	20	DDGD	
Cc1cnc2c(C(=O)NNc3cccc(C(=O)O)c3)cnn2c1	1600625353	PUWSEFWQYIIRNA-UHFFFAOYSA-N	311.301	1.493	50	20	DDGD	
Cn1nc2ccccc2c1C(=O)NNc1ccc(CC(=O)O)cc1	1601020115	YEXAJQVHFKNKRO-UHFFFAOYSA-N	324.340	1.957	50	20	DDGD	
Cn1ccnc1CCC(=O)NNc1ccc(C(=O)O)cc1F	1600986003	WVWNXQKIHOYKDM-UHFFFAOYSA-N	306.297	1.333	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ncccc1C(=O)O)N1CCCCC1	1602960641	GSBRTFFXVZGHAL-CYBMUJFWSA-N	320.393	1.733	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NN[C@H](C(=O)O)c1ccsc1	1601360396	GDOXKCWLZNUNJM-ZDUSSCGKSA-N	308.334	1.876	50	20	DDGD	
O=C(CCc1ccco1)NNC(=O)c1ccc(C(=O)O)s1	1601292518	FLLMHRQIGINPAA-UHFFFAOYSA-N	308.315	1.433	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNc1ccccc1C(=O)O	1605506096	UBFDGKDQYGCASS-UHFFFAOYSA-N	308.334	1.807	50	20	DDGD	
C[C@@]1(COC(=O)c2cc(C(=O)O)no2)C[C@@H]1Br	1604583323	VGKHGRVAUDDSGF-XVKPBYJWSA-N	304.096	1.703	50	20	DDGD	
C[C@](C#N)(CC(=O)O)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	1609693077	TUEXPTYWNZYEAI-GFCCVEGCSA-N	310.241	1.182	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCc1cc(C(=O)O)co1	1601045503	FBKLGALHDQWRPM-WZUFQYTHSA-N	312.281	1.907	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2ccn(C(F)F)n2)cc1	1602128911	FEVIGLRKTDVJTR-UHFFFAOYSA-N	310.260	1.662	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1cc(N)ccc1F	1549320200	KYRVDGPZOGWWNK-WFASDCNBSA-N	320.368	1.111	50	20	DDGD	
CCNc1cccnc1C(=O)NNC(=O)c1cc(C)oc1C	1548615477	CITBRVXNNHORIT-UHFFFAOYSA-N	302.334	1.798	50	20	DDGD	
CCNCC(=O)NNC(=O)c1ccc(OCCC(C)C)cc1	1577832027	WBDQDJLBAGNTLC-UHFFFAOYSA-N	307.394	1.482	50	20	DDGD	
CC(C)(C)c1n[nH]cc1C(=O)NNc1ncccc1C(=O)O	1573463673	KOGXLBSDTQWRCV-UHFFFAOYSA-N	303.322	1.557	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2C[C@@]23CCCNC3)cc1F	1578870993	NYGMLHJOVCFBRC-BLLLJJGKSA-N	321.352	1.445	50	20	DDGD	
CCC(CC)(C(=O)O)C(=O)NNc1cc(O)nc2ncccc12	1589475862	NEGBBKKIYOJJAF-UHFFFAOYSA-N	318.333	1.670	50	20	DDGD	
Cc1cc(C(=O)N2CC3(CCCN3C(=O)[C@H](F)Cl)C2)n[nH]1	1843364884	JHJAQFNWSIZUBN-JTQLQIEISA-N	314.748	1.070	50	20	DDGD	
C[Si](C)(C)OCC(=O)N1CC2(CCCN2C(=O)CCC#N)C1	1842813403	HUHZWMAHIRTARH-UHFFFAOYSA-N	323.469	1.345	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1ncc[nH]1)C2	1845163724	OTMJNTIXBZHPNL-JTQLQIEISA-N	310.785	1.244	50	20	DDGD	
C/C=C\C(=O)NNc1ccc(-c2nn[nH]n2)cc1C(F)(F)F	1590351465	FXMLCMDQGCZNFC-IHWYPQMZSA-N	312.255	1.905	50	20	DDGD	
COc1cccc(OCC(=O)NNc2cccc(C(=O)O)c2)c1	1599682337	ZWYMFAWIQHCOQC-UHFFFAOYSA-N	316.313	1.916	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@H](C)C(=O)O)cc1	1592705974	ZDAQXXWQDQRKFM-QMMMGPOBSA-N	311.363	1.124	50	20	DDGD	
C[C@H]1CN(C(=O)[C@@]2(C)C[C@@H]2Br)C[C@]1(C)C(=O)O	1599915070	ORLIKDLTSJHYPD-OSTYVCCYSA-N	304.184	1.729	50	20	DDGD	
CCO/C=C/C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1590797280	PHNXKAXVNFVFCI-AATRIKPKSA-N	308.729	1.513	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNc1ccc(C(=O)O)cc1OC	1596510925	UYUVVBVZROVUQJ-UHFFFAOYSA-N	324.333	1.426	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C(=O)O)C2CCCC2)cc1O	1594346801	IIDYZWWAUWFEQW-ZDUSSCGKSA-N	320.345	1.353	50	20	DDGD	
Cc1[nH]c(C=NNC(=O)c2cccc(C(=O)O)c2)cc1C(=O)O	1776095674	MZQKOTWGZKUWDW-UHFFFAOYSA-N	315.285	1.483	50	20	DDGD	
CC(C)(C)n1cc(C=NNC(=O)c2ccc(C(=O)O)cc2)nn1	1776100553	NVTNODOTIDEUKX-UHFFFAOYSA-N	315.333	1.495	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)c1nc(C)c[nH]1	1776046375	NDVQEIJJOFGTPL-UHFFFAOYSA-N	301.306	1.962	50	20	DDGD	
N#Cc1ccc(C(=O)O)c(C=NNC(=O)CNc2ccccc2)c1	1776016151	ADNWILVKKLVKOV-UHFFFAOYSA-N	322.324	1.819	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)C2CCCCC2)nc2ccccc21	15926351	OUBSRPJWUVFDAT-UHFFFAOYSA-N	314.389	1.844	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNC(=O)COc2ccc(C)cc2)c1	17113430	YQTAQMYPJVGAOJ-UHFFFAOYSA-N	315.329	1.366	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNC(=O)c2ccccn2)s1	17329100	GNMLOSJCDBVGJM-UHFFFAOYSA-N	317.370	1.876	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1O	161600103	YHXLRQSRCPZBKN-UHFFFAOYSA-N	318.245	1.966	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)c2cccc(N(C)C)c2)[nH]1	158797112	SZBNNHANLBNSEE-UHFFFAOYSA-N	300.362	1.772	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NNC(=O)C(C)(C)C)C1	160296584	XZTCQLUNFDNIFJ-NWDGAFQWSA-N	311.426	1.465	50	20	DDGD	
Cc1cc(C)c(NNC(=O)N[C@H](C)[C@H]2CN(C)CCO2)c(C)c1	152384147	GCSPJBKICCFQFH-HUUCEWRRSA-N	320.437	1.957	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)C1=Cc2ccccc2OCC1	274728574	HOQBCWZNFBSUCS-UHFFFAOYSA-N	324.402	1.807	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1	728188220	MAPZUNJTESXTAF-CQSZACIVSA-N	314.389	1.721	50	20	DDGD	
O=C(CN1CCCC(F)(F)C1)NNC(=O)c1cccs1	844378089	MFJUAPXARXCZLB-UHFFFAOYSA-N	303.334	1.240	50	20	DDGD	
C[C@](O)(CNS(=O)(=O)c1ccc(CCCl)cc1)C1CC1	313055487	SUUJKXKKPCIAQP-AWEZNQCLSA-N	317.838	1.907	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1cccc2cn[nH]c12	104831662	OAHWOJKGBKSCJD-UHFFFAOYSA-N	309.329	1.436	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)Cn1ccc2ccccc21	104633051	MTFBVYKJYMSLQR-CYBMUJFWSA-N	315.373	1.770	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccccc1C(=O)c1cccs1	65190553	UOTDSJQYQNRSDO-UHFFFAOYSA-N	317.370	1.943	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H](C)Oc1ccc(F)c(F)c1	68500520	XMCUUSNZLODCDE-QMMMGPOBSA-N	315.345	1.413	50	20	DDGD	
O=C(Cn1cc(C2CC2)nn1)NNc1cc(F)c(F)cc1F	178023032	BROWFXFLNMYTKF-UHFFFAOYSA-N	311.267	1.716	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)c(F)c1)NNc1cccc(F)c1	119996145	WHIXDBXWIDQQFR-UHFFFAOYSA-N	323.274	1.977	50	20	DDGD	
CCNC(=O)c1ccc(C)c(NC(=O)NNC(=O)C(C)(C)C)c1	179752508	INRUYAQMTKAOML-UHFFFAOYSA-N	320.393	1.944	50	20	DDGD	
Cc1nccn1CCCC(=O)NNC(=O)Cc1ccccc1F	66839773	WXCINWLWQVSKFN-UHFFFAOYSA-N	318.352	1.501	50	20	DDGD	
CC(C)CN1CCC[C@@H](CNC(=O)NNc2cccnn2)C1	178731152	BOPCMWJIOHRUSV-ZDUSSCGKSA-N	306.414	1.471	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)Cc2cccnc2)CC1	171510488	DLJLUNHZWRNPJS-UHFFFAOYSA-N	309.369	1.812	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)c1cc(Cl)sc1Cl	61088857	LIPGNKWSPTXRHL-UHFFFAOYSA-N	324.189	1.341	50	20	DDGD	
COCCN1C[C@@H](C(=O)NNc2ccc(Cl)cc2)CC1=O	120077333	SOXMJYFJFKQCET-JTQLQIEISA-N	311.769	1.278	50	20	DDGD	
COCCN1C[C@@H](C(=O)NNc2cc(C)cc(C)c2)CC1=O	122698520	ATVMKLWMAJTARH-ZDUSSCGKSA-N	305.378	1.241	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H](C)OCC2CC2)c(C)c1	76960364	LKHYMAKLTRXSFF-CYBMUJFWSA-N	319.405	1.678	50	20	DDGD	
Cn1c(NNC(=O)[C@@H](O)c2ccccc2)nc2ccccc2c1=O	73647572	ZVIUFMVHUHZYDO-AWEZNQCLSA-N	324.340	1.110	50	20	DDGD	
C[C@H](NC(=O)CC(C)(C)C)C(=O)NNc1nccnc1Cl	188283895	NCPIBKIXVMMLHY-QMMMGPOBSA-N	313.789	1.514	50	20	DDGD	
CCn1c(NNC(=O)/C=C/c2ccc[nH]2)nc2ccccc2c1=O	189716111	DOJXLIDUTVCFHY-MDZDMXLPSA-N	323.356	1.901	50	20	DDGD	
NC(=O)NC[C@@H]1CCCN(C(=O)c2cccc(CCl)c2)C1	37833413	SSFYWFRNIRBIJC-LBPRGKRZSA-N	309.797	1.946	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2c[nH]c(=O)c3ccccc23)o1	188289021	IXVXBOHHLDQOOC-UHFFFAOYSA-N	311.297	1.504	50	20	DDGD	
Cc1ccc(C(N)=O)cc1NC(=O)NNC(=O)CC1CCCC1	184651714	IDWVXBZIFHTXOQ-UHFFFAOYSA-N	318.377	1.827	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CC2CCSCC2)c(O)c1	135410186	YYQFKXQACDYRPH-UHFFFAOYSA-N	308.403	1.995	50	20	DDGD	
O=C(NCc1ccc2ncccc2c1)NNC(=O)c1ccc[nH]1	194609314	JBFQFRUGLNIAMA-UHFFFAOYSA-N	309.329	1.707	50	20	DDGD	
C[C@H](Oc1cccc2ccccc12)C(=O)NNC(=O)N(C)C	192463620	KCBFJOIQYKZNDB-NSHDSACASA-N	301.346	1.910	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCCCCCC2=O)o1	84374076	OFIDLVNPBBVPDC-UHFFFAOYSA-N	307.350	1.142	50	20	DDGD	
C[C@@H]1CCN(C(=O)NNC(=O)c2ccc(C#N)cc2)CCS1	192241941	NVDSANILZNFRBD-LLVKDONJSA-N	318.402	1.740	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CSc2nccn2C)cc1	198378960	IWKQJXJIJXZJPN-UHFFFAOYSA-N	304.375	1.282	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccc(C(N)=O)s2)cc1	195487532	MTHBAGIVXNISNI-UHFFFAOYSA-N	317.370	1.484	50	20	DDGD	
CN1C(=O)Cc2cc(NC(=O)NNC(=O)c3ccc[nH]3)ccc21	194084742	ZKUBRKUHUQJADN-UHFFFAOYSA-N	313.317	1.000	50	20	DDGD	
COc1ccc2c(ccn2CC(=O)NNC(=O)c2ccc[nH]2)c1	97326024	VCMINTMVHPWZLC-UHFFFAOYSA-N	312.329	1.439	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NC2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1	246464400	AHLBIQFXLDXTDC-XUXIUFHCSA-N	310.357	1.547	50	20	DDGD	
N#Cc1ccccc1/C=C\C(=O)NNC(=O)NCc1ccco1	255362481	JSJIEKFAVJRKQX-FPLPWBNLSA-N	310.313	1.695	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCC(=O)Nc1ccccc1	265088128	PCAYKHOMTQYJLA-UHFFFAOYSA-N	306.366	1.392	50	20	DDGD	
CCCOc1ccc(OCC(=O)NNC(=O)C2CCC2)cc1	264797030	SVICAVMLVGNGFX-UHFFFAOYSA-N	306.362	1.802	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	266688353	BLAVOOBYUAIDAD-GFCCVEGCSA-N	324.337	1.210	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	265031603	OFYUSBAUQGENMT-FRRDWIJNSA-N	323.780	1.738	50	20	DDGD	
CC(C)OCCCNC(=O)NNC(=O)COCc1ccccc1	265693908	NYDBVHHVMRJDMZ-UHFFFAOYSA-N	323.393	1.349	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNc1nc(-c2cccnc2)no1	263944624	ILPNOPFLJQIDBG-SNVBAGLBSA-N	305.338	1.780	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)CC[C@H]2CCOC2)c1	267633952	XIFSKEKDUMAJNC-LBPRGKRZSA-N	321.377	1.071	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cn1cnc2ccccc21)C(C)(C)C	265353349	ZOLGIQBOYCDMFL-NSHDSACASA-N	302.378	1.866	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@]12CCOC2)c1cc2ccccc2o1	364720128	WPRHXLCSHBWFJL-MEDUHNTESA-N	300.314	1.620	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NOC[C@H]1CCOC1)c1ccccc1	276268710	JRCBQBBRDUQZQO-GXTWGEPZSA-N	321.377	1.479	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ncccc1OCCCC#N	276064332	KPDUMSULSLPNNI-UHFFFAOYSA-N	320.353	1.462	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NC[C@@H]1COC2(CCCC2)O1	369849962	DWSDTILXXTWDOU-LLVKDONJSA-N	313.398	1.439	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)NCC(F)F	270707582	ZNLHBNXJJOOUAT-UHFFFAOYSA-N	305.306	1.080	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNC(=O)COc1cc(C)ccc1C	275320374	PSACBZNCKUVNPJ-UHFFFAOYSA-N	322.361	1.171	50	20	DDGD	
C[C@H]1C[C@@H](CNC(=O)NNc2nc3ccccn3n2)CCO1	276972159	VNPQHBHBYJFBID-QWRGUYRKSA-N	304.354	1.171	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@@]1(C)CCCOC1	272641012	CNNPLNIZNWLINJ-INIZCTEOSA-N	321.377	1.071	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc(-n2cccn2)nc1	273488201	NFMAUOBDBAQPJN-UHFFFAOYSA-N	302.338	1.466	50	20	DDGD	
Cc1cc(Br)cc(C(=O)NNC(=O)NC2CC2)c1	274294079	DFWJIJFHMGJNTJ-UHFFFAOYSA-N	312.167	1.864	50	20	DDGD	
CC[C@H](COC)NC(=O)NNc1ccc2c(O)nccc2c1	287398221	JVPUKCJJKVJGAM-LLVKDONJSA-N	304.350	1.992	50	20	DDGD	
COCCC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	282336096	AICQHXGCFSFXHJ-LBPRGKRZSA-N	321.377	1.144	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)C(C)(C)OC(C)=O)n1	288362323	KLXSMAYAIUYMBY-UHFFFAOYSA-N	309.370	1.108	50	20	DDGD	
CSCCCN(C)C(=O)NNC(=O)c1ccc(C#N)cc1	282337865	UUCXFQUIMRYYIY-UHFFFAOYSA-N	306.391	1.598	50	20	DDGD	
CCc1nc(-c2ccc(C(=O)NN(C)CCOC)cc2)n[nH]1	288443005	OJXNEUUJYFRKMO-UHFFFAOYSA-N	303.366	1.257	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2	374006464	SZKVDDLGZFWUHS-FNCVBFRFSA-N	323.340	1.024	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)/C(C#N)=C\c2ccc(O)cc2)[C@H]1OC	280143100	HGRHFGJKWPSUCI-USXSTRCASA-N	316.357	1.608	50	20	DDGD	
CNc1nc(C)cc(C(=O)NN=c2cc[nH]c3ccccc23)n1	806810706	ABSYIBTWJYUHKR-UHFFFAOYSA-N	308.345	1.554	50	20	DDGD	
Cc1ncsc1CCNC(=O)NNc1ncc(F)cc1F	297530528	OFBDWYNYYCGWMF-UHFFFAOYSA-N	313.333	1.994	50	20	DDGD	
CCCN(NC(=O)c1cnc(OC)nc1)C(=O)OC(C)(C)C	804592711	GVJGTHCLWPFSTG-UHFFFAOYSA-N	310.354	1.777	50	20	DDGD	
COc1cccc([C@@H](C)NC(=O)NNc2nccc(OC)n2)c1	298917046	CYJKKYAVIWCMHI-SNVBAGLBSA-N	317.349	1.881	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CCn2ccnn2)c(Cl)c1	802049299	FSYFTOMZHFYOJP-UHFFFAOYSA-N	322.756	1.483	50	20	DDGD	
Cc1nnc(-c2ccccc2C(=O)NNC(=O)CC2CC2)o1	294074965	HJHQKFGPUYZXNP-UHFFFAOYSA-N	300.318	1.606	50	20	DDGD	
CC(=O)NCC[C@H]1CCCN(CCI)C1	805821554	BPWMLWOFKQAQTI-LLVKDONJSA-N	324.206	1.660	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccnc(OCC(F)(F)F)c1	294127955	KWTBZJGRRAICKA-UHFFFAOYSA-N	317.267	1.584	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)nc1	802001708	RGHMOPVIJJUMAN-UHFFFAOYSA-N	316.267	1.808	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)CCc2c[nH]c3ccccc23)O1	294322118	SEBTXIKKXFBSEY-NHYWBVRUSA-N	315.373	1.815	50	20	DDGD	
O=C(NCc1ccc(C2CC2)cc1F)NNC(=O)[C@@H]1CCCO1	291664971	FQWALEAVARHMQR-AWEZNQCLSA-N	321.352	1.713	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CC[C@H](n2cccn2)C1	292021516	YJWBOIHWAFMABG-ZDUSSCGKSA-N	313.361	1.493	50	20	DDGD	
CNC(=O)NCCC(=O)NNc1ccccc1Br	293463674	UJZJYQRFNGIOLR-UHFFFAOYSA-N	315.171	1.211	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)C2(Cc3ccc(F)cc3)CC2)O1	293927198	NTTNPPGKUCTBMW-FZMZJTMJSA-N	320.364	1.863	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)[C@@H]1CCC(F)(F)C1	804958281	QVGUNGGPCKQWRO-SECBINFHSA-N	308.292	1.541	50	20	DDGD	
Cc1cc(F)c(S(=O)(=O)NNC(=O)C(C)(C)C)c(F)c1	818048478	KHFMZYUKWOOYMU-UHFFFAOYSA-N	306.334	1.629	50	20	DDGD	
CN(NC(=O)CCC(=O)N1CCc2sccc2C1)C1CC1	819646438	YRYOTOACLKZXFX-UHFFFAOYSA-N	307.419	1.538	50	20	DDGD	
C[C@@](C#N)(CC(=O)O)C(=O)NNC(=O)Cc1ccc(Cl)cc1	819846405	CKIIWRCAEBJZPP-AWEZNQCLSA-N	323.736	1.034	50	20	DDGD	
C[C@H](Sc1nnnn1C1CC1)C(=O)NCCCSC#N	819699127	UEZBOGAERYQRLE-QMMMGPOBSA-N	312.424	1.209	50	20	DDGD	
Cc1cc(Cl)cc2c1OCC2=NNC(=O)c1cnn(C)c1	814852179	NEBZYKFJRLHTTB-UHFFFAOYSA-N	304.737	1.908	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)c1c(C)nc2ccccn12	812453470	YQMBGANUUTYTSZ-WDEREUQCSA-N	318.377	1.322	50	20	DDGD	
Cn1cnc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)n1	810467085	LUWXDCPONGRPIZ-UHFFFAOYSA-N	310.239	1.462	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)CNc1ccccc1)n1cccn1	819830193	AZABMATZIMENCD-LBPRGKRZSA-N	301.350	1.094	50	20	DDGD	
O=C(COc1ccc(Cl)c(F)c1)NNC(=O)NCC1CC1	815115859	ZXYGUMWHAKPKCV-UHFFFAOYSA-N	315.732	1.598	50	20	DDGD	
COCCC(COC)=NNC(=O)Nc1ccc2c(c1)OCO2	814993750	HJUQAURFWZSZMM-UHFFFAOYSA-N	309.322	1.576	50	20	DDGD	
CO[C@](C)(C=NNC(=O)c1ccc2c(c1)OCCO2)C1CC1	814789006	SRFOEBYGKOEFMJ-MRXNPFEDSA-N	304.346	1.989	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCO[C@@H](OC)C2)cc1	819480291	ALOJIXIYRISINB-SCOADAFUSA-N	316.357	1.824	50	20	DDGD	
Cc1nnc(CCC(=O)NNc2ccc(C(F)(F)F)cn2)o1	822054929	IFSUNGXFXSQCAC-UHFFFAOYSA-N	315.255	1.868	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)CSc1ccccc1O	491807222	BWUPDPHYGSOMQB-UHFFFAOYSA-N	314.370	1.464	50	20	DDGD	
O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)N1CCCC1	728942415	UGZFEGSPOZCVDH-UHFFFAOYSA-N	319.333	1.815	50	20	DDGD	
CN(C)CC(=O)NN=Cc1ccccc1OCc1ccccn1	727647701	CZVDRQFERLDMNU-UHFFFAOYSA-N	312.373	1.672	50	20	DDGD	
C=C(CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccccc1	827072839	WXEAAUHCYGCFCV-OCCSQVGLSA-N	303.362	1.455	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(C)(C(=O)NNC(=O)C(C)(C)C)C1	496872900	RQEJUFSHIRMQPF-UHFFFAOYSA-N	313.398	1.437	50	20	DDGD	
C=C[C@@](C)(CC)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	492432019	CTCRZBCHSSBIQN-HNNXBMFYSA-N	313.398	1.651	50	20	DDGD	
CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCCSSC	497091669	TUMLDKHLVYEWCY-VIFPVBQESA-N	324.468	1.654	50	20	DDGD	
Cc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)c2c[nH]nc2C)cc1C	826755589	YPAKCVDATFHIRC-UONOGXRCSA-N	312.373	1.900	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NN(CC)CCO)c1C	823841607	IZHNRVYBWPBQGN-LFIBNONCSA-N	318.421	1.767	50	20	DDGD	
COc1ccnc(NNC(=O)[C@]2(C)C[C@@H]2Br)n1	906067233	LFAHXPAMMZWWSQ-QUBYGPBYSA-N	301.144	1.102	50	20	DDGD	
COC(=O)[C@@](C)(NC(=O)/C(C#N)=C/c1ccc(O)cc1)C1CC1	490906536	DHWGAQIKKBEDBD-KQPPXVQYSA-N	314.341	1.757	50	20	DDGD	
C[C@@]1(C(=O)NCCCNc2ncccn2)C[C@H]1Br	906447979	JGDCJSBLPMDJKC-BXKDBHETSA-N	313.199	1.568	50	20	DDGD	
O=C(NC[C@H]1C[C@@H](c2ccccc2)C1)c1cccc(B(O)O)c1	585009993	GBGWLHKTZNHXSS-AKAXFMLLSA-N	309.174	1.290	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC[C@@H](c2cccnc2)C1	829518695	BLPLFHKVASTVTK-CYBMUJFWSA-N	304.394	1.064	50	20	DDGD	
CC[C@H](NCc1ccc(B(O)O)cc1F)c1nc(C)cs1	585023512	IXDUKPDZWXVXFH-ZDUSSCGKSA-N	308.187	1.511	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCc2sccc2C1	827306914	KUQGQNCDBROLLP-ONGXEEELSA-N	309.391	1.272	50	20	DDGD	
C[C@H](CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1)C(C)(C)C	734673309	FLGALRMQOHPBIT-ZWNOBZJWSA-N	305.444	1.050	50	20	DDGD	
CN(CC(=O)NNC(=O)CC1CCCC1)C(=O)OC(C)(C)C	491141825	RYWPDECDQUWCTI-UHFFFAOYSA-N	313.398	1.581	50	20	DDGD	
CC(C)OCc1cccc(NC(=O)NNC(=O)c2cc[nH]n2)c1	820458800	TVHUWLFPFKTTKB-UHFFFAOYSA-N	317.349	1.801	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(F)cc1Br	823838124	KTRCZLNLZDUNNJ-UHFFFAOYSA-N	305.147	1.547	50	20	DDGD	
C/C(=C\C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1CC1	823944003	WTHQIHVLIGCVOH-QPJJXVBHSA-N	319.756	1.715	50	20	DDGD	
COC(=O)NNC(=O)[C@@H](C)N(C(=O)OC(C)(C)C)C1CC1	497266703	TVRMKKYOIVRFDA-MRVPVSSYSA-N	301.343	1.162	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCC[C@H](C(=O)O)C2)c(C)o1	832864945	XSRJTAYRTGHOEU-MNOVXSKESA-N	308.334	1.548	50	20	DDGD	
Cc1ccc(C)c(C2=NO[C@H](C(=O)NNc3ccncn3)C2)c1	908552081	ZVUAPPGCJFPWJC-AWEZNQCLSA-N	311.345	1.730	50	20	DDGD	
O=CN1CCC[C@H]1C(=O)NNc1cccc(Br)c1	830767123	WCQIQNFLAVIIKE-NSHDSACASA-N	312.167	1.513	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@H]1CCC[C@H](C(=O)O)C1	833118626	LYNWZIKOTZXUHU-RYUDHWBXSA-N	322.336	1.407	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CCCNC(=O)O)c1ccccc1	736224088	VMDHBYDWFSVXMA-UHFFFAOYSA-N	307.350	1.159	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=Cc1cnn(CC)c1	732527785	JLCVUFSEKYAZFK-UHFFFAOYSA-N	316.361	1.831	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)CC(=O)O)c1C	737836706	IWVOECABSYVKGF-ZSOIEALJSA-N	303.362	1.965	50	20	DDGD	
O=S(=O)(CCl)NC[C@H](O)c1cccc(C(F)(F)F)c1	830628295	VJNIMYFOUYEQIY-VIFPVBQESA-N	317.716	1.855	50	20	DDGD	
O=C(NN[C@H](C(=O)O)c1cccnc1)c1cc2c(s1)CCC2	833149691	YXAKJYBWIMNGHC-ZDUSSCGKSA-N	317.370	1.692	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@]1(C)CCCCO1	837309728	DKMCIBDPDQPXHQ-MEDUHNTESA-N	324.352	1.700	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)C[C@@H](C)c1cnn(C)c1	839739438	ABJMBRVDCYCJAH-LLVKDONJSA-N	302.382	1.970	50	20	DDGD	
O=C(c1ccc(O)cc1)C1CCN(S(=O)(=O)CCl)CC1	830599546	PVWXACKMYVVMGZ-UHFFFAOYSA-N	317.794	1.813	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cccc2ccncc12	901853686	CGTIXMJIPYNEQH-SNVBAGLBSA-N	307.375	1.590	50	20	DDGD	
O=C(O)CSCCC(=O)NNC(=O)c1ccc(Cl)cc1	739845028	AUEGSYOAAYIJNT-UHFFFAOYSA-N	316.766	1.309	50	20	DDGD	
COc1ccc(CC(=O)NNc2cc(C)ncn2)cc1[N+](=O)[O-]	734255449	GRTRKYIQPFZHSQ-UHFFFAOYSA-N	317.305	1.388	50	20	DDGD	
O=C(N[C@@H]1C[C@H]2c3ccccc3CC[C@H]12)c1cccc(B(O)O)c1	585008596	JVXZENPEERNCMI-OKZBNKHCSA-N	321.185	1.215	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)C1CC2(CC2)C1	832283476	ZMHZIUNLROLSTP-UHFFFAOYSA-N	324.402	1.732	50	20	DDGD	
CN1C(=O)CCc2cc(C=NNC(=O)[C@@H]3CCCCO3)ccc21	834984897	DEHIJAYMOFFIPP-HNNXBMFYSA-N	315.373	1.615	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C2CCC2)cnn1Cc1ccccc1	732141698	NHFVWIBJQZZQMS-UHFFFAOYSA-N	312.373	1.801	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)c2ccccn2)c1OC	916968196	RRUXMQFYXZPCEP-UHFFFAOYSA-N	316.317	1.565	50	20	DDGD	
Cc1cc(C)c(NC(=O)C(=O)NNC(=O)CC(C)(C)C)c(C)n1	839512860	SCLMPYIPOIUAMO-UHFFFAOYSA-N	320.393	1.529	50	20	DDGD	
CNC(=O)NCCNC(=O)CCCC[C@H]1CCSS1	910904746	GZUUDZRJQNTWPT-JTQLQIEISA-N	305.469	1.746	50	20	DDGD	
CC(C)Oc1ncccc1CNC(=O)NNC(=O)c1ccc[nH]1	916512079	LXNWQECBHKGARN-UHFFFAOYSA-N	317.349	1.341	50	20	DDGD	
CN(C)N(C(=O)C=C(C1CC1)C1CC1)[C@H]1CCS(=O)(=O)C1	917623024	ZFUYIAHYJHOVNR-ZDUSSCGKSA-N	312.435	1.225	50	20	DDGD	
Cc1ncsc1CCC(=O)NNc1ncccc1[N+](=O)[O-]	839702908	XFQXVCSCNZWPCJ-UHFFFAOYSA-N	307.335	1.831	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cc(S(C)(=O)=O)ccc1Cl	915776069	VZHPCFSISHNGKB-UHFFFAOYSA-N	318.782	1.161	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN(C)C[C@H](C)O	910159661	ALGXRUUOJBHHCV-SRVKXCTJSA-N	317.430	1.270	50	20	DDGD	
O=C(O)NNC(=O)Nc1ccc(OCCN2CCCCC2)cc1	833281080	WHTWRPHBNDGSJV-UHFFFAOYSA-N	322.365	1.855	50	20	DDGD	
CON1CCC(=NNC(=O)[C@H](C)Oc2ccccc2F)CC1	834930970	ZFUGJMUZDAGZOA-NSHDSACASA-N	309.341	1.722	50	20	DDGD	
C[C@H](CS(C)(=O)=O)NC(=O)NNc1ccc(F)cc1Cl	918606546	DPVSHFJMOJMUTK-SSDOTTSWSA-N	323.777	1.538	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ccc(Br)cc2)o1	747579840	JXBPUJRWDRAYDR-UHFFFAOYSA-N	324.134	1.898	50	20	DDGD	
CCSc1nnc(SCC(=O)NNC(=O)C2CC2)s1	742445630	SJCZGOLQAGKEOC-UHFFFAOYSA-N	318.449	1.300	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N[C@@H]1CCCNCC1)c1ccccc1	841979202	RNVRXUCAFZPRKE-CQSZACIVSA-N	318.421	1.437	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cc3ccccc3nc2O)n1	740102966	RZPHMOQRGWUULE-UHFFFAOYSA-N	324.344	1.553	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1	910174261	DQHUUTSIPXQYGE-SNVBAGLBSA-N	309.366	1.850	50	20	DDGD	
Cc1cccnc1OC1CCN(S(=O)(=O)CCl)CC1	841517501	YFJLKQUSRZZIBA-UHFFFAOYSA-N	304.799	1.759	50	20	DDGD	
O=C(COc1ccccc1F)NN=C1CCCn2ccnc21	848400120	CUAAMWXILUKLIA-UHFFFAOYSA-N	302.309	1.715	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc3ccccc23)n(C)n1	741581894	LDVWPUIRAJXBMG-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
CSC(C)(C)C(=O)OCC(=O)NNC(=O)c1cccs1	849986424	UEKLNJPKZZXCNB-UHFFFAOYSA-N	316.404	1.194	50	20	DDGD	
CC[C@@H](C)C(=O)NN=C(C)c1ccc(NS(C)(=O)=O)cc1	747047954	OCANICPFROKETJ-SNVBAGLBSA-N	311.407	1.944	50	20	DDGD	
CN1CC[C@H](CNC(=O)[C@]2(C)C[C@@H]2Br)CC1=O	911275632	PTTVZMDRMMYODU-HOTUBEGUSA-N	303.200	1.145	50	20	DDGD	
CNC(=O)NC(=O)CN(C)CCO[Si](C)(C)C(C)(C)C	844345594	GWFLPVOOPKOPOX-UHFFFAOYSA-N	303.479	1.396	50	20	DDGD	
COc1ccc(Cl)cc1C=NNC(=O)C(=O)N1CCCC1	748136909	WSXAVVHINJXMCB-UHFFFAOYSA-N	309.753	1.421	50	20	DDGD	
C[C@@H]1C(=NNC(=O)c2ncccn2)CC[C@H](C(=O)O)C1(C)C	841665230	JATISGVMBALIJI-NXEZZACHSA-N	304.350	1.719	50	20	DDGD	
CC(C)C[C@H](C)OCCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843652561	JYWNUGAEGYDYHF-YNEHKIRRSA-N	300.399	1.400	50	20	DDGD	
N#Cc1cccc(OCC(=O)NNC(=O)CC(F)(F)F)c1	918366561	AQVYOKVEQQVAGF-UHFFFAOYSA-N	301.224	1.037	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1	910164857	ZQNMCZWAGUYYCM-WFASDCNBSA-N	309.385	1.134	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(Cl)c(OC)c(OC)c1	844776860	KDJPITOGRUQXSF-UHFFFAOYSA-N	301.730	1.920	50	20	DDGD	
Cc1ccc(NNC(=O)CCc2nc(-c3nc[nH]n3)no2)cc1	749203138	SPVVOFDPKBQUIL-UHFFFAOYSA-N	313.321	1.239	50	20	DDGD	
O=C(NC[C@@H]1CNCCCO1)NNc1c(F)cccc1Cl	842009603	CSNRFYLUPZNHSZ-VIFPVBQESA-N	316.764	1.484	50	20	DDGD	
CCCN1CCC[C@@H](C(=O)NNC(=O)c2cc(C)cs2)C1	912979982	LEQOSTBNPQUVSB-GFCCVEGCSA-N	309.435	1.940	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C)cc1)c1cn(C)nc1C	917537616	DRQSOXPXMFFHAD-UHFFFAOYSA-N	300.362	1.956	50	20	DDGD	
CC[C@H](CC(=O)NNc1ccccc1S(N)(=O)=O)C(C)C	842262372	TXMROGNDYJXVPY-LLVKDONJSA-N	313.423	1.849	50	20	DDGD	
CC(=O)c1cccc(O[C@H](C)C(=O)NNC(=O)C2CCCC2)c1	745045131	BBMXOSMOPCXZIA-GFCCVEGCSA-N	318.373	1.994	50	20	DDGD	
O=C(NCCS(=O)(=O)C1CC1)NNc1ccc(F)cc1	840446925	VVQXXODICUMWPN-UHFFFAOYSA-N	301.343	1.029	50	20	DDGD	
Cc1cnn(CC(=O)NNc2ncnc(Cl)c2C(C)C)c1	840548910	NKCOWDNNAAJBBX-UHFFFAOYSA-N	308.773	1.902	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@@H]1CCc2ncncc2C1	843564048	HIKMBPIQDIPBEQ-CQSZACIVSA-N	324.384	1.280	50	20	DDGD	
CCN(C1CCN(C)CC1)S(=O)(=O)CC(C)(C)CCl	867349592	UFWDVAAHCRCNIG-UHFFFAOYSA-N	310.891	1.997	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1ccc2c(c1)CC(=O)N2	842554000	HYVFIDPEVWIIJK-GXFFZTMASA-N	301.346	1.446	50	20	DDGD	
Cc1nn(C(C)C)cc1C(=O)NNC(=O)c1cccc(C#N)c1	846860673	LPYSWRCRMNVPLS-UHFFFAOYSA-N	311.345	1.719	50	20	DDGD	
N[C@@H](CNC(=O)NNC(=O)Nc1cc(F)cc(F)c1)C1CC1	841966012	NPPWYTMBZFUNIZ-NSHDSACASA-N	313.308	1.038	50	20	DDGD	
CCC[C@H](C)NC(=O)NNC(=O)Cc1cn2ccccc2n1	746740984	AUXAEIHYMXGCLG-NSHDSACASA-N	303.366	1.396	50	20	DDGD	
CC(C)Cn1nccc1C(=O)NNC(=O)Cc1ccccc1F	843545518	AEVLSSCTYDNNHD-UHFFFAOYSA-N	318.352	1.682	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1c[nH]c2ncccc12	741761444	JNLDODLKFIUDBK-UHFFFAOYSA-N	311.301	1.036	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)[C@H]1CCc2nnnn2CC1	846088880	UOISGGAPBGXPIU-ZDUSSCGKSA-N	314.393	1.640	50	20	DDGD	
COc1cc(C=NNC(=O)Cc2ccncc2)cc(O)c1O	747641739	HXCCSMDEQDCKJW-UHFFFAOYSA-N	301.302	1.194	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)c(Cl)c1C	755278661	ASASNRGNGPNJHU-UHFFFAOYSA-N	306.753	1.684	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@H](O)C2CC2)c1	854183555	HVFFRTIAPUOGHN-MRXNPFEDSA-N	320.389	1.416	50	20	DDGD	
Cn1ccnc1CNC(=O)NC[C@@]1(C)C[C@H]1Br	856835300	OXNRENKXDYJAMO-LDYMZIIASA-N	301.188	1.393	50	20	DDGD	
COc1cc(OC)c(NC(=O)NNC(=O)CC2CC2)cc1F	757639610	SLLDDJQIALQOPL-UHFFFAOYSA-N	311.313	1.796	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCc1cncc2ccccc12	854922937	UPVALLMWVMTJJY-UHFFFAOYSA-N	302.403	1.635	50	20	DDGD	
COc1nccnc1NNC(=O)c1c(Cl)cncc1Cl	857540083	SICJZZAUYHQYAF-UHFFFAOYSA-N	314.132	1.944	50	20	DDGD	
O=C(NN=Cc1cc2c(cc1O)OCO2)c1ccc(O)cc1	920357921	KAZPZGYMDOSLSR-UHFFFAOYSA-N	300.270	1.590	50	20	DDGD	
Cn1ncc2c(O)nc(NC[C@]3(C)C[C@@H]3Br)nc21	856785478	JVRSFIIBUKYBHJ-CPCISQLKSA-N	312.171	1.654	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCNC(=O)[C@@H]1c1cccc(C)c1	856207562	IRFQOYADJFDAQJ-GOFCXVBSSA-N	313.357	1.439	50	20	DDGD	
CCOC(=O)N1CSC[C@@H]1C(=O)NNc1ccc(F)cc1	929772849	ORLYGDXXIMCTMD-LLVKDONJSA-N	313.354	1.800	50	20	DDGD	
Cc1cccc(Oc2ccccc2NC(=O)NNC(=O)CO)c1	755432913	DPTXEQINBQHHHZ-UHFFFAOYSA-N	315.329	1.932	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNC(=O)c1cccc(Cl)n1	857324759	MLTSAFRUJRVORQ-MRVPVSSYSA-N	313.741	1.085	50	20	DDGD	
CO[C@@H]1COC[C@H]1NC(=O)NNc1c(F)cc(F)cc1F	923032855	AHBCRJCWCLLPHW-NXEZZACHSA-N	305.256	1.144	50	20	DDGD	
C[C@H](C[S@](C)=O)NC(=O)NC[C@@]1(C)C[C@H]1Br	856850773	ZYBXKWFWGCYFQM-AFXPVKSRSA-N	311.245	1.226	50	20	DDGD	
Cc1ncc(CNC(=O)NC[C@]2(C)C[C@@H]2Br)o1	856862722	AJZHDFXKTRIXIN-ONGXEEELSA-N	302.172	1.956	50	20	DDGD	
O=C(CO)NNC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1	753442577	IRFJYEWFMGQDRG-UHFFFAOYSA-N	302.117	1.228	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cnc(C(C)(C)C)nc1	929976896	TVDMDPMPJQSABO-UHFFFAOYSA-N	303.366	1.730	50	20	DDGD	
N#Cc1ccc(NNC(=O)CCN2CCCC2=O)cc1Cl	753297828	MPKDZUVXGUVDEH-UHFFFAOYSA-N	306.753	1.667	50	20	DDGD	
CC(C)(C)C(=O)NCCC(=O)NC[C@]1(C)C[C@@H]1Br	857689807	NJWGXECQFRJHHT-ZANVPECISA-N	319.243	1.829	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCc2cccnc2)nc1	759729096	BHUMRWIVJLXDTE-UHFFFAOYSA-N	300.318	1.339	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)C2[C@@H]3CCCCCC[C@@H]23)CC1	854381040	DHXMDKLBNKEOFP-CHWSQXEVSA-N	308.426	1.191	50	20	DDGD	
O=C(CO)NNC(=O)Nc1cccc(C(=O)c2ccccc2)c1	756424769	VPSZDTYKPVRTQX-UHFFFAOYSA-N	313.313	1.063	50	20	DDGD	
C=C(C)C(C)(C)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855825978	PXGAQIXNDUGDFJ-UHFFFAOYSA-N	311.426	1.679	50	20	DDGD	
CCC1(C(=O)OCC(=O)NNC(=O)c2ccccc2)CCCC1	757127870	VZESZIBXEWQNLH-UHFFFAOYSA-N	318.373	1.961	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H]1CCN(c2ccccc2F)C1	854921249	NFDHJGFLCWRJGL-JTQLQIEISA-N	310.398	1.119	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C(=O)NN[C@H](C)C(F)(F)F)c1C	862304273	MALSHTIZEHWBJT-MRVPVSSYSA-N	321.299	1.993	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1ccc2cncn2c1	863098570	OBEMCUBYQYVYHI-UHFFFAOYSA-N	308.210	1.766	50	20	DDGD	
C=CC[C@H](C(=O)NNC(=O)COCCOC)c1ccccc1	869907411	LAEOJWDXEYTTLF-AWEZNQCLSA-N	306.362	1.157	50	20	DDGD	
CC(C)CN1N=C(C(=O)NNc2ccc(Cl)nc2)CCC1=O	768716889	PGUFHNSIPQLGEU-UHFFFAOYSA-N	323.784	1.813	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@H]1CCO[C@H](C2CC2)C1	765918293	JAPLNUHGJKQYSL-IUCAKERBSA-N	309.288	1.227	50	20	DDGD	
CC(C)[C@H]1C[C@@H](C(=O)NNC(=O)Cc2ccccc2F)CCO1	932375971	CCNLWUUKFWDUAA-DZGCQCFKSA-N	322.380	1.967	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H](C)c2cccc(F)c2)n[nH]1	869014582	UTOUGPXTARAAAM-JTQLQIEISA-N	304.325	1.351	50	20	DDGD	
Cc1cc(C(=O)NNc2nc(-c3cccnc3)no2)ns1	767906497	YHNVRHUNIZRBHP-UHFFFAOYSA-N	302.319	1.653	50	20	DDGD	
CC(=O)N[C@H](CC1CCC1)C(=O)NNC(=O)c1cc(C)cs1	862479716	YTKCRAUBTJQIIJ-GFCCVEGCSA-N	323.418	1.512	50	20	DDGD	
Cc1cn2ccnc(C(=O)NNc3ncncc3Cl)c2n1	762322381	VKVPPQRIOIFMMQ-UHFFFAOYSA-N	303.713	1.238	50	20	DDGD	
CCOCn1nc(C)c(CC(=O)NNc2ncccc2C)c1C	867752013	MLUJAVYKQJVYHJ-UHFFFAOYSA-N	317.393	1.883	50	20	DDGD	
Cc1noc(Cl)c1CC(=O)NNCC(F)(F)C(F)(F)F	863094398	SREZRCPCAZCRCW-UHFFFAOYSA-N	321.633	1.997	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)[C@@H]1CCn2cncc2C1	764261156	LTXFRUJOKXTGPH-LLVKDONJSA-N	308.345	1.532	50	20	DDGD	
COc1ccc(C=NNC(=O)N(C)C)cc1Cn1cccn1	872347378	VQNTYUTWUPTRGG-UHFFFAOYSA-N	301.350	1.545	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccnn2C2CCCC2)n[nH]1	768278451	RWBNUACJEBESMM-UHFFFAOYSA-N	302.338	1.105	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CNc1ccccc1Cl	1115915819	QMRKXEHAKDUMMW-UHFFFAOYSA-N	300.815	1.656	50	20	DDGD	
C[N+](C)(C)CC(=O)NN=C(C[C@@H]1CCCO1)c1ccc(F)cc1	1117683846	JGJZPBRRZFUJGK-HNNXBMFYSA-O	322.404	1.921	50	20	DDGD	
Cc1nc(N2CCOCC2)sc1C=NNC(=O)C1CCC1	1116023711	JVGVUHZJSAIJRM-UHFFFAOYSA-N	308.407	1.538	50	20	DDGD	
O=C(CO)NN=Cc1cccc(Br)c1OC(F)F	776780062	CJWDUFUDSSMNMM-UHFFFAOYSA-N	323.093	1.493	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cc2ccccc2nc1OC	779822550	FNFBDYFLLXCSEC-UHFFFAOYSA-N	316.317	1.050	50	20	DDGD	
CC(C)n1cc2c(n1)[C@@H](NCc1cccc(B(O)O)c1)CCC2	877376705	XVTOYERMJPXZKM-INIZCTEOSA-N	313.210	1.311	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2cccnc2S)c1	776525256	FZBNCIYUWQNZMI-UHFFFAOYSA-N	323.399	1.531	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@H]2CC(C)=NO2)cc1	875981704	JRRUPJUKRYLMEL-CYBMUJFWSA-N	304.350	1.358	50	20	DDGD	
CCCNC(=O)NNC(=O)c1csc(Br)n1	874214203	UZXYVRAVCQRFPE-UHFFFAOYSA-N	307.173	1.260	50	20	DDGD	
CCCC(=O)N1CCC[C@H]1C(=O)NNc1nc2ccccc2[nH]1	870212357	KSDHVYPWQZMUQP-ZDUSSCGKSA-N	315.377	1.797	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)C1CC1)c1ccc(F)cc1F	775448890	FXWOTROCYAECME-ZDUSSCGKSA-N	311.332	1.563	50	20	DDGD	
COCCOCC(=O)NN=C1C[C@H](C)c2c(C)ccc(O)c21	1119010297	HXOFRAKRTUWWKV-NSHDSACASA-N	306.362	1.691	50	20	DDGD	
CC[C@H](C(=O)NNc1ccccc1C(=O)OC)N1CCCC1=O	777772868	OVGKKRQIUGIPMG-CYBMUJFWSA-N	319.361	1.317	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C2CCCC2)c(C(F)(F)F)c1	1116570022	GNKUAWLXTMIJPE-UHFFFAOYSA-N	303.284	1.995	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1coc(C2CC2)n1	777285929	PQTSEUGGFPIVOW-UHFFFAOYSA-N	300.409	1.024	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cc(OC)n(C)n1)c1ccccc1	772947103	DSHSHBMAZMQQLL-LBPRGKRZSA-N	316.361	1.384	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2cc(Cl)nc(N)n2)cc1	773861661	OIOYVMRDKPNMQC-UHFFFAOYSA-N	320.740	1.102	50	20	DDGD	
COc1cc(C=NNC(=O)CO)ccc1OCc1cccs1	776780498	JVFCQNDLZCEEHC-UHFFFAOYSA-N	320.370	1.778	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)CNC(=O)c2cccc(O)c2)c1	779009907	FUNMSCLEZZRDEM-UHFFFAOYSA-N	313.357	1.882	50	20	DDGD	
CCOC1CC(CCNC(=O)NNC(=O)CC(F)(F)F)C1	788863608	KNQPVVCZIHRCHX-UHFFFAOYSA-N	311.304	1.474	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN[C@H](C)c2cccnc2)cc1	781170839	BHAQMWYZXWVVQW-CYBMUJFWSA-N	312.373	1.502	50	20	DDGD	
CO[C@](C)(C1CC1)[C@H](C)NC(=O)NNc1ccc(C#N)cn1	889239236	LGMDPXGHUNUQPP-BONVTDFDSA-N	303.366	1.783	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(-c2cnn(C)c2)ccc1F	782549314	INBHFKLIQIRUTD-UHFFFAOYSA-N	305.313	1.190	50	20	DDGD	
CCNC(=O)N(C)NC(=O)/C=C(/C)Cc1ccccc1OC	780710967	GBCOIGUHBOYPDP-QXMHVHEDSA-N	305.378	1.877	50	20	DDGD	
C[C@H]1CN(C(=O)C(=O)NNc2ccccc2)c2ccccc2O1	784769607	GKYMBJGBMNJSOI-LBPRGKRZSA-N	311.341	1.944	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2n[nH]c3ccccc23)n1	794074659	DKTVDHLEIWMUNI-UHFFFAOYSA-N	309.329	1.270	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2cccnn2)cc(C)c1Cl	799835509	KBUJTHACRBJURF-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)nn1)c1cccc([N+](=O)[O-])c1	798150478	ZZGACQHEOLROSF-UHFFFAOYSA-N	321.680	1.113	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cccc2nc(O)oc12	791242832	LDWLIZOOQJFLJQ-UHFFFAOYSA-N	310.273	1.333	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCOC3(CCC3)C2)n1	793105284	RPOSMDLQXXLTNZ-GFCCVEGCSA-N	318.377	1.436	50	20	DDGD	
CCc1ccnc(CNC(=O)NNC(=O)c2ccc(C)o2)c1	798119826	QWOPPJRFVRCTHP-UHFFFAOYSA-N	302.334	1.690	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cc(F)ccc1[N+](=O)[O-]	791260733	QWNSDROGGPWUOE-UHFFFAOYSA-N	316.252	1.534	50	20	DDGD	
CC[C@@H]1CCC[C@H]1NCC(=O)NNC(=O)c1ccc(F)cc1	794575894	OMEMIIAHQKGMPW-BXUZGUMPSA-N	307.369	1.755	50	20	DDGD	
C[C@@H](Cn1ccnc1)NC(=O)NNc1ccc(C(C)(C)C)nn1	1318639359	MMDZVAUWPAVMDC-NSHDSACASA-N	317.397	1.685	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCCn2ccnc2)cc1	1318077034	JGTYLAHQSDAUKA-UHFFFAOYSA-N	302.334	1.133	50	20	DDGD	
Cc1nnc([C@H](C)NC(=O)c2c(C)nn(CCCl)c2C)o1	1319261993	KKYJWTKRGHFSBF-QMMMGPOBSA-N	311.773	1.921	50	20	DDGD	
O=C(CO[C@@H]1CCOC1)NNc1ccccc1OC(F)(F)F	1325911627	SRKAMTGCFTWBRH-SECBINFHSA-N	320.267	1.834	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H](C)n2cccc2)cc1	1322747256	UKRZAGBAAOCSJX-LLVKDONJSA-N	302.334	1.911	50	20	DDGD	
Cc1nnc(O)c(CNC(=O)NNC(=O)OC(C)(C)C)c1C	1328600769	FGKQRTXMSWZFAR-UHFFFAOYSA-N	311.342	1.038	50	20	DDGD	
CO[C@H]1CCC[C@@H]1CNC(=O)NNc1nncc(N)c1Cl	1337215466	ZUDOUYQWVLZDPV-APPZFPTMSA-N	314.777	1.153	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCc2nccn2C)c1	1346734961	GLQHCKCWLPHFQE-UHFFFAOYSA-N	302.334	1.283	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNc2nncc(N)c2Cl)c1	1340554770	KUEZFKRSIZTLKS-SECBINFHSA-N	321.768	1.931	50	20	DDGD	
CC(C)CN1CCC[C@@H]1C(=O)NNc1nc2ccccn2n1	1347021815	SRRADCYUHPRETE-GFCCVEGCSA-N	302.382	1.293	50	20	DDGD	
Cc1cc(=NNC(=O)Nc2nc3c(s2)COCC3)cc[nH]1	1351521996	MGVWHBCKZFMRRL-UHFFFAOYSA-N	305.363	1.490	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCCC(F)F	1520037886	UXGDGILPYHDHKG-MRVPVSSYSA-N	319.283	1.579	50	20	DDGD	
O=C(NCCc1ccc(C(=O)O)cc1)NNc1ncccc1F	1601511550	ZXTPUGQUCZAFKZ-UHFFFAOYSA-N	318.308	1.788	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H]2C[C@H](C(=O)O)C2)cc(C#N)n1C	1607524624	JSURCWHUNDDNEC-GEONLFHCSA-N	312.329	1.092	50	20	DDGD	
Cc1ocnc1CNC(=O)NNc1ccc(F)c(C(=O)O)c1	1600861549	PQUUXILQDBBWCH-UHFFFAOYSA-N	308.269	1.647	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cccc(C(=O)O)n2)n1	1600705586	PMYFROTWRVFMEJ-UHFFFAOYSA-N	307.697	1.289	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2c[nH]cc(Cl)c2=O)cc1	1602128553	NWRDNYDESLXQGI-UHFFFAOYSA-N	321.720	1.412	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cccc(O)c2O)c(F)c1	1602383171	VVQWPLJLNVZZBR-UHFFFAOYSA-N	306.249	1.692	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)N[C@@H]1CCCOCC1	1601558109	KCWLOZHNEUAYFX-SECBINFHSA-N	311.313	1.719	50	20	DDGD	
O=C(NNC(=O)C12CCC(C(=O)O)(CC1)CC2)c1ccccn1	1610699950	HTAAGCHMOFFQSK-UHFFFAOYSA-N	317.345	1.268	50	20	DDGD	
O=C(NN=Cc1cc(F)cc(F)c1)[C@@H]1CN2CCC[C@H]2CO1	1549319723	JCZJLKHJCNBBFH-KBPBESRZSA-N	309.316	1.278	50	20	DDGD	
CC[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cl)CC	1800068048	ZECCTCCONADYHJ-MLGHIDQZSA-N	316.829	1.413	50	20	DDGD	
CCCC[C@H](N)C(=O)NNc1cccc(Br)n1	1577410748	ZZFUHGLDASYGNB-QMMMGPOBSA-N	301.188	1.805	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H](F)C2CNC2)cc1	1575273170	VCWCDDMAVQWWDL-CYBMUJFWSA-N	307.369	1.303	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@]2(C)CCNC2)c1	1574151917	GHLKVUFGYMRLHC-OAHLLOKOSA-N	306.435	1.621	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc(N)ccc1C	1579017028	RGCIRQPXPYWDKE-UHFFFAOYSA-N	310.423	1.065	50	20	DDGD	
CC(C)(C)[C@@H](N)CC(=O)NNc1cc(O)nc2ncccc12	1575113524	VOXQRLLKVLFSIG-NSHDSACASA-N	303.366	1.542	50	20	DDGD	
CC(=O)c1cc(C(=O)NNc2ncccc2C(=O)O)n(C)c1	1588527774	BYLULPPMJBELGC-UHFFFAOYSA-N	302.290	1.078	50	20	DDGD	
N#CCCC[C@H](N)C(=O)NNc1cc(C(F)(F)F)ccn1	1580049144	IWLHSMVVTZOOKB-VIFPVBQESA-N	301.272	1.565	50	20	DDGD	
CC(COC(C)C)=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1589884877	QHXPAVZXFREGMP-UHFFFAOYSA-N	302.338	1.397	50	20	DDGD	
CC(CCc1cncc2ccccc12)=NNC(=O)NCC(=O)O	1592551854	BGCNLELEYJNTQW-UHFFFAOYSA-N	314.345	1.927	50	20	DDGD	
CO[C@@H](CC(=O)NNc1ccc(C(=O)O)cn1)C(F)(F)F	1599043774	QPHVTEGHRXTBKX-ZETCQYMHSA-N	307.228	1.190	50	20	DDGD	
CO[C@@H]1CCC[C@H]1NC(=O)NNc1cccc(C(=O)O)c1C	1599322603	TVQWAVKEBQKLBX-CHWSQXEVSA-N	307.350	1.887	50	20	DDGD	
CC1=C(C(=O)N2CC3(CCCN3C(=O)[C@H](F)Cl)C2)CCO1	1843363649	RIJKTXCZRRZUBP-NSHDSACASA-N	316.760	1.419	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C1CCC[C@@H](C(=O)O)C1	1599716909	QIVHKQQSZXDXBL-LLVKDONJSA-N	320.345	1.821	50	20	DDGD	
Cc1ccc(NNC(=O)c2cc(-c3nn[nH]n3)[nH]c2C)cc1F	1592185450	WUYDPKBKQGDHPZ-UHFFFAOYSA-N	315.312	1.708	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC[C@H](C(=O)O)C1	1594601508	OCNMEMDBDXHEOW-OXBCTQFSSA-N	300.314	1.622	50	20	DDGD	
Cc1cccc(C(=O)C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1	1592216433	RKQHZVJPLVMFHM-UHFFFAOYSA-N	322.328	1.501	50	20	DDGD	
C[C@@H]1O[C@H](C)C[C@H]1NC(=O)NNc1ccc(CC(=O)O)cc1	1594257484	GWTXUSSYUOJITN-GBIKHYSHSA-N	307.350	1.506	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1[N+](=O)[O-]	1776330816	FFXDPOUOGOEVLD-LFYBBSHMSA-N	317.301	1.972	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NN=Cc1ccc(C(=O)O)c(F)c1	1776098428	KPOSRSVLMDHQCY-CYBMUJFWSA-N	321.352	1.847	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)CC(C)(C)C)cc1	11481776	NFEYVQFFGYOKCZ-UHFFFAOYSA-N	306.362	1.735	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1c(O)cccc1F	162511897	WMXNFKFLEDLASI-UHFFFAOYSA-N	318.304	1.544	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)N[C@H](C)C2CC2)cc(Cl)n1	160747709	JYCLDAVKFWDEEB-MRVPVSSYSA-N	312.826	1.951	50	20	DDGD	
O=C(NNc1ncccn1)Nc1ccn(CCc2ccncc2)n1	160966988	GMYNQLHNNJCEAO-UHFFFAOYSA-N	324.348	1.459	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cccc2ncccc12)N(C)C	164629484	GMEJZCBMTNGEKQ-AWEZNQCLSA-N	300.362	1.336	50	20	DDGD	
COc1cc(Cl)c(C)cc1NC(=O)NNC(=O)CN(C)C	153562815	VWFBZNJLZABYBH-UHFFFAOYSA-N	314.773	1.371	50	20	DDGD	
O=C(NNC(=O)c1ccc(C(=O)NC2CC2)cc1)c1ccccc1	155010075	SCIYFVQRRSMULY-UHFFFAOYSA-N	323.352	1.654	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1CCC(=O)C[C@@H]1C	154548361	YRKJVBRMHRLCDD-CMPLNLGQSA-N	304.346	1.462	50	20	DDGD	
O=C(NNc1cccc(F)c1)[C@H]1CC(=O)N(c2cn[nH]c2)C1	154837878	YYVVMZDPVCXNRF-VIFPVBQESA-N	303.297	1.045	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1nn2cnnc2s1	748062188	KQDQKZKHPPYYQJ-UITAMQMPSA-N	314.305	1.871	50	20	DDGD	
CC1(C)[C@@H](O)C[C@@H]1NS(=O)(=O)c1ccc(CCCl)cc1	130278190	TWFYOFDGLFEMRN-STQMWFEESA-N	317.838	1.906	50	20	DDGD	
O=C(NCCNS(=O)(=O)c1ccc(CCl)cc1)C1CC1	312732423	WJPQLPCKTUTMRK-UHFFFAOYSA-N	316.810	1.230	50	20	DDGD	
O=C(NNS(=O)(=O)c1cccs1)c1ccccc1F	7428847	ZYGIKKZRZGYQER-UHFFFAOYSA-N	300.336	1.511	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H](C)Sc1nncn1C	56138443	SFJKXPPAHWJWBU-SNVBAGLBSA-N	319.390	1.065	50	20	DDGD	
CCN(C)C(=O)c1cccc(C(=O)NNC(=O)NC(C)C)c1	104339120	LNXBREZVTVTINY-UHFFFAOYSA-N	306.366	1.131	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F)[C@@H]1CCCO1	112868754	RIBJEDYDPJYGCN-GVXVVHGQSA-N	310.300	1.395	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCc1c[nH]c2ccccc12	109860604	CBWZYZFBAKLQFW-UHFFFAOYSA-N	311.345	1.593	50	20	DDGD	
CCN(CC)C(=O)CCCC(=O)NNC(=O)NCc1ccco1	112278520	ALAJZTAPSLEOQB-UHFFFAOYSA-N	324.381	1.149	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)c2c(C)nc3ccccn23)CC1	176599799	QKLSJVAWMIESDM-UHFFFAOYSA-N	315.377	1.777	50	20	DDGD	
COC[C@H](C)NC(=O)NNC(=O)NCc1ccc(Cl)cc1	112739218	PNPSHUFWUXNXSH-VIFPVBQESA-N	314.773	1.388	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2COc3ccccc32)n1	174475195	UERIFWILBBGLDG-NSHDSACASA-N	300.318	1.413	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNC(=O)c2cc3ccccc3o2)c1	177739036	LVAXCVPWCZPRPU-UHFFFAOYSA-N	323.308	1.607	50	20	DDGD	
NC[C@@H]1CCN(S(=O)(=O)c2ccc(CCCCl)cc2)C1	178903026	NMJPVTUZXMISOY-ZDUSSCGKSA-N	316.854	1.827	50	20	DDGD	
CC1CCC(N2C[C@H](C(=O)NNc3ncccn3)CC2=O)CC1	66821246	AWKVIQZARONMSF-OTTFEQOBSA-N	317.393	1.347	50	20	DDGD	
Cc1ccc(CCNC(=O)NNc2nc(C)cc(C)n2)cn1	111516654	DTYJUBVVSMURJZ-UHFFFAOYSA-N	300.366	1.666	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1cccnc1OCC(F)F	179943205	HHPZVIQSAPIYBB-UHFFFAOYSA-N	316.308	1.924	50	20	DDGD	
C=CCCOCCNC(=O)NNC(=O)Cc1ccc(F)cc1	127169888	WGLSBALDGVVEKA-UHFFFAOYSA-N	309.341	1.291	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1c(C)cccc1C	120181864	LRZRFUBRZGNNHI-UHFFFAOYSA-N	305.378	1.369	50	20	DDGD	
COC(=O)N[C@@H](CC(C)C)C(=O)NNc1cccnc1Cl	128594612	KJYDSQDGSNNRRN-JTQLQIEISA-N	314.773	1.949	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccc2nc(C3CC3)sc2c1	184659610	BYFYPZXVSDCSMQ-UHFFFAOYSA-N	306.347	1.319	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@@H]1CCN(c2ccccn2)C1	154821553	GDGXPBYLZASOJK-GFCCVEGCSA-N	317.842	1.599	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CNC(=O)c1cc2ccccc2[nH]1	79583841	WAWWZOOLTIZXFK-UHFFFAOYSA-N	316.361	1.091	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(-c3ncn[nH]3)cc2)n1	186334056	SGTOFQDLULNROF-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
CCC(=O)N1CC[C@@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)C1	183589376	WAUPVTQGBGDAAO-UZGISAJGSA-N	315.348	1.860	50	20	DDGD	
CCC[C@@H]1C[C@H](C(=O)NNC(=S)Nc2ccccn2)CCO1	180484995	ZDNUWEJBNZHMCH-VXGBXAGGSA-N	322.434	1.995	50	20	DDGD	
C[C@H](C#N)CNC(=O)NNC(=O)Cc1cccc2ccccc12	182831494	PLBQFNCRSRNJEK-GFCCVEGCSA-N	310.357	1.872	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COCCO1)c1cc2c(s1)CCCCC2	32699690	SEZBGIRIPNTTQK-NSHDSACASA-N	324.402	1.193	50	20	DDGD	
CC(C)CC1(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)CC1	127546367	QYWFQQUUSWQGBE-CYBMUJFWSA-N	317.455	1.194	50	20	DDGD	
CSc1cccc(C)c1NC(=O)NNC(=O)Cc1cc[nH]n1	185033446	NKVDRSOTMBTVKV-UHFFFAOYSA-N	319.390	1.835	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	133289882	CGDBSPGKLYNUEQ-UHFFFAOYSA-N	322.390	1.572	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3ccnn3C)[nH]n2)cc1	132660125	XMAFILQOOLNAOC-UHFFFAOYSA-N	324.344	1.193	50	20	DDGD	
CC[C@H](NC(=O)NNc1nccc(OC)n1)c1ccncc1	74440243	XEBBMPNEURMHCA-NSHDSACASA-N	302.338	1.658	50	20	DDGD	
CC(C)Cc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1	132280614	FHKYMKIUDGBEPU-UHFFFAOYSA-N	317.389	1.269	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCC2(CCC2)C1	138454390	FRNHILMSAHFJBF-UHFFFAOYSA-N	315.417	1.561	50	20	DDGD	
CC(C)Nc1ncccc1C(=O)NNc1nc2ccccn2n1	191910896	ALDHAAXJYBIRSL-UHFFFAOYSA-N	311.349	1.702	50	20	DDGD	
C[C@@H](CBr)CN1CCC(N(C)CCCO)CC1	133794977	UULULHDDMONSRS-LBPRGKRZSA-N	307.276	1.796	50	20	DDGD	
CCOC[C@@H](NC(=O)NNC(=O)c1ccc(C#N)cc1)C(C)C	191828122	UEGSYJYAYPWCQT-CQSZACIVSA-N	318.377	1.563	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cccc(C)c2C)nc(C)n1	130467464	YDTZNMOHOLJCBM-UHFFFAOYSA-N	313.361	1.792	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1nc2ccccn2n1)N1CCCCC1	191897911	KZSKSDBSYXTRCS-CQSZACIVSA-N	316.409	1.683	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H](C)N2CCc3ccccc32)n1	139627539	QJTUCVWWTDMNLU-CYBMUJFWSA-N	311.389	1.988	50	20	DDGD	
CCCCOCCCNC(=O)NNC(=O)Cc1ccncc1	83190086	PDWYFHZJWXCMMJ-UHFFFAOYSA-N	308.382	1.161	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(Cl)cc1O	49267326	CYQHGZKQHAQCFV-UHFFFAOYSA-N	301.730	1.026	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2cn(-c3ccccc3)nn2)nn1	87167567	ZUICIEQIJUXKRM-UHFFFAOYSA-N	324.348	1.192	50	20	DDGD	
C[C@H](NS(=O)(=O)c1ccc(CCl)cc1)c1nc[nH]n1	381815076	MOPNTSHGRONVSV-QMMMGPOBSA-N	300.771	1.583	50	20	DDGD	
NNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1	193371373	HQYSXFHQQSKAFP-UHFFFAOYSA-N	324.134	1.898	50	20	DDGD	
CSCCNC(=S)NNC(=O)CCc1ccc(F)cc1	94121036	IVVCHQJXPWMRAJ-UHFFFAOYSA-N	315.439	1.617	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@H]([C@H](C)N)C1	237423220	SSZBVKTXTIKXLC-GWCFXTLKSA-N	312.845	1.938	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCCOCc1ccc(OC)cc1	92844207	XVZLBLXUFQAUFD-SDNWHVSQSA-N	304.346	1.772	50	20	DDGD	
Cn1c(=NNC(=O)c2cccnc2O)sc2ccccc21	254818045	BMOPDSOPYPVKKY-UHFFFAOYSA-N	300.343	1.586	50	20	DDGD	
COc1ccc(OC)c(CNC(=O)NNC(=O)C2CCC2)c1	264702387	HCROSOAXYIJGOZ-UHFFFAOYSA-N	307.350	1.334	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNC(=O)C(C)(C)c1ccccc1	264641215	OFIVXSIEAMNGDN-ZDUSSCGKSA-N	322.405	1.553	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)N[C@@H]1CCSC1	266779832	KEXHXVUIFKCONE-GFCCVEGCSA-N	323.418	1.464	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)CNc1cccc(OC)c1	269598405	LRRSOIWCDUPAIC-LBPRGKRZSA-N	311.407	1.396	50	20	DDGD	
COc1ccc(CCNC(=O)NNC(=O)C2CCC2)cc1F	264738374	ONTBPHYXVBDQTF-UHFFFAOYSA-N	309.341	1.507	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cccc(N2CCCNC2=O)c1	267122821	KCCGXBNNLZWJQV-UHFFFAOYSA-N	316.361	1.167	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H]2CCCS2)c(C)c1	266572325	LFZVRXWZJOBJSZ-CYBMUJFWSA-N	307.419	1.758	50	20	DDGD	
O=C(Cc1coc(-c2cccs2)n1)NNC(=O)C1CCC1	264668285	FZWZPIJKAXPZIE-UHFFFAOYSA-N	305.359	1.893	50	20	DDGD	
CCOc1ccccc1NC(=O)C(=O)NNC(=O)[C@H](C)CC	274095795	VNZVZUVJVQZRQT-SNVBAGLBSA-N	307.350	1.217	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCc1cccc(OC(C)(C)C)n1	272643530	DVXHFYSYSCHHFV-UHFFFAOYSA-N	322.409	1.884	50	20	DDGD	
O=C(CO)NNC(=O)C1(Cc2cccc(Cl)c2)CCCCC1	367581024	RBVCACIDCHELQL-UHFFFAOYSA-N	324.808	1.973	50	20	DDGD	
O=C(Cn1cnc2c1CCCC2)NNC(=O)c1ccc(F)cc1	273412427	HZKRMDAUTHHCSL-UHFFFAOYSA-N	316.336	1.362	50	20	DDGD	
CC(C)Cn1cc(NC(=O)NNc2cc(Cl)nc(N)n2)cn1	276650991	PTIMGCHGMSCQBS-UHFFFAOYSA-N	324.776	1.713	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cn1c(CC)nc2ccccc21	272668244	JRZNVFCLPZUQAJ-UHFFFAOYSA-N	303.366	1.291	50	20	DDGD	
CCCS(=O)(=O)Nc1ccc(NC(=O)NNC(C)=O)cc1	273211957	NQTMHOATZJHFKS-UHFFFAOYSA-N	314.367	1.011	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1cccc(CO)c1	373999420	BUXDUTASIUFHQD-UHFFFAOYSA-N	311.301	1.381	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1	286388621	OPHKJFQMYMXSQE-SNVBAGLBSA-N	320.267	1.338	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1nc(C2CCOCC2)cs1	287496452	TUFUOMINHMYSHY-UHFFFAOYSA-N	324.406	1.990	50	20	DDGD	
COC(=O)C(C)(C)CCNC(=O)NNC(=O)c1ccccc1	286722700	RBSFSMNDJCOCAK-UHFFFAOYSA-N	307.350	1.220	50	20	DDGD	
CC(C)(C)N1C[C@@H](NC(=O)NNc2cccc(F)n2)CC1=O	288676820	MQJPPVDRRMSODH-VIFPVBQESA-N	309.345	1.246	50	20	DDGD	
Cc1cnc([C@H](C)CNC(=O)NNC(=O)[C@@H]2CCCO2)s1	292300922	MXIXMRUTGPJQCC-SCZZXKLOSA-N	312.395	1.064	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)NCc2ccccc2Cl)O1	296501029	FZUBSEWAKQPYPV-CABZTGNLSA-N	311.769	1.738	50	20	DDGD	
Cc1ccccc1SCC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	294072678	BVSNKXVEUNSJPN-RYUDHWBXSA-N	308.403	1.802	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@@H]1OC[C@@H]2COCC[C@@H]21	290908701	MYIIHUPOMAUUOE-SGMGOOAPSA-N	318.377	1.239	50	20	DDGD	
O=C(C[C@@H]1CCCC(=O)N1)NNc1nccnc1C1CCC1	290935125	PHKKFTUOGFWJNX-NSHDSACASA-N	303.366	1.246	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1cn(-c2ccccc2C)nn1	806572564	JWODWDGHEAJUHL-JYRVWZFOSA-N	302.359	1.875	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H](C)[C@@H]1OCCc2sccc21	292730066	MRUZKUWQKSZPMD-SKDRFNHKSA-N	311.407	1.737	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1nc2ccsc2s1	293315035	LTANPFOHUSMSTN-ZETCQYMHSA-N	312.376	1.690	50	20	DDGD	
CCOc1ccc(NNC(=O)CCSCC(=O)OC)cc1	294201533	CXVABWPPUUPLOZ-UHFFFAOYSA-N	312.391	1.825	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@H]2CCCCO2)cccc1[N+](=O)[O-]	295672527	XENFIMQENOEFFS-GFCCVEGCSA-N	307.306	1.233	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@H]2NCC[C@@H]2C1	293272874	GPDCLOGMQYKHLX-CHWSQXEVSA-N	310.829	1.563	50	20	DDGD	
O=C(NNc1ncc(Cl)cc1Cl)c1c[nH]nc1[N+](=O)[O-]	802599479	TYJPLRREBVZJKN-UHFFFAOYSA-N	317.092	1.777	50	20	DDGD	
C[S@](=O)c1ccc(C(=O)NNC(=O)Nc2ccccc2)cc1	801987635	QXROTFUCBUZHCV-QFIPXVFZSA-N	317.370	1.891	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2ncnc3[nH]cnc23)c2ccccc21	806892718	KNSIYYGWWJAKAV-LLVKDONJSA-N	322.328	1.556	50	20	DDGD	
N#CCOc1ccccc1C(=O)NNC(=O)NC1CCCC1	299349652	OXNPYMWWDYYBKG-UHFFFAOYSA-N	302.334	1.476	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)n1	293294677	HCOQITHXVLWQSX-UHFFFAOYSA-N	324.728	1.925	50	20	DDGD	
O=C(NNc1ncccc1F)[C@H]1CC(c2cccnc2)=NO1	804219598	BDYTUIPNMMZALQ-GFCCVEGCSA-N	301.281	1.252	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1c[nH]c2cc([N+](=O)[O-])ccc12	294051523	PDQVCDADFJVUSX-LBPRGKRZSA-N	318.289	1.016	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc(COCCOC)cc1	290004598	VNVIRSXALPRARR-WJDWOHSUSA-N	318.373	1.519	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc3oc(O)nc3c2)n1	806985049	FQQVUHUQMOQQQJ-UHFFFAOYSA-N	315.289	1.397	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCC(C)CC1)c1csc(N)n1	812441155	OPHUSNVVOKRTDS-NSHDSACASA-N	323.466	1.934	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1cnn(-c2ccc(F)cc2)c1	815003892	OROYWMLNHSUHLW-UHFFFAOYSA-N	324.319	1.984	50	20	DDGD	
Cc1cc(CC(=O)NN=C2CC[C@@H](C(=O)O)C(C)(C)[C@H]2C)n[nH]1	814787990	XERMUSNSGSVPIV-JQWIXIFHSA-N	320.393	1.890	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@]2(C)CC2(F)F)nc1C	817560453	HGDASIUJBIMMCL-GFCCVEGCSA-N	314.292	1.450	50	20	DDGD	
Cn1nc(NC(=O)C(=O)NNc2cccc(C#N)c2)cc1C1CC1	810388222	DQKXJBNNVDMSMS-UHFFFAOYSA-N	324.344	1.251	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1ccc([N+](=O)[O-])c(O)c1	815001065	XBZBWOFUHDJVQT-UHFFFAOYSA-N	301.262	1.273	50	20	DDGD	
CCc1onc(C)c1NC(=O)C(=O)NNc1cccc(Cl)n1	815726994	CTJKDCIOVSGGRR-UHFFFAOYSA-N	323.740	1.676	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1O)c1cnc(C)nc1C	814952745	MIUXRGQHSWHYBY-UHFFFAOYSA-N	314.345	1.718	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2cnc(C(C)(C)C)nc2)CC1	814912573	XYPFWFJHKMIOQI-UHFFFAOYSA-N	304.398	1.065	50	20	DDGD	
CC1CC(=NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)C1	814746989	PONPUHRWPVGSBH-UHFFFAOYSA-N	315.782	1.503	50	20	DDGD	
CC(=O)Nc1c(C)cccc1C(=O)NNC(=O)c1ccc[nH]1	729303839	ZFCJVESRMBPILT-UHFFFAOYSA-N	300.318	1.356	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=S)NCCc1cccs1	728798605	JDQOEUIYWJZNML-UHFFFAOYSA-N	320.443	1.424	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2COCCO2)c(C(F)(F)F)c1	816703533	INXRQPQIGBSGCP-LLVKDONJSA-N	320.267	1.573	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F	823475621	QMPMBZBNWCLDLE-SKZLGDCLSA-N	324.327	1.641	50	20	DDGD	
C=C(C)COc1cc(C=NNC(=O)CN(C)C)ccc1OC	727648188	XNUDUBIYCBRILR-UHFFFAOYSA-N	305.378	1.662	50	20	DDGD	
Cc1ncc(/C=C/C(=O)NNC(=O)N=c2cc[nH]cc2)s1	492813987	RMJGSOFZOAQIGG-NSCUHMNNSA-N	303.347	1.135	50	20	DDGD	
Cc1cc(C)n(-c2ccc(C(=O)NN(C)[C@H](C)CO)cc2)n1	823988847	XMOKBNBEQMQGLW-CYBMUJFWSA-N	302.378	1.447	50	20	DDGD	
C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=NNC(=O)CN(C)C	497058500	XPVYGQFXFSFKJF-LLVKDONJSA-N	312.414	1.297	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N(C)[C@H](C)c1cccnc1	827297351	DXFDPDBXMBKYQA-NTZNESFSSA-N	306.366	1.240	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccc2c(c1)COC2	727864667	ADKYITHQPDRQAW-UHFFFAOYSA-N	305.403	1.626	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(OC2CCCC2)c(OC)c1	823852422	HPZLPFVBHKTNDB-UHFFFAOYSA-N	322.405	1.976	50	20	DDGD	
CCOC1CCN(C(=O)NNC(=O)c2cccc(C#N)c2)CC1	728953633	SNTIEYXPJMFNCW-UHFFFAOYSA-N	316.361	1.414	50	20	DDGD	
Cc1cccc2c1O[C@@H](C(=O)NNC(=O)NC1CCCCC1)C2	823644336	CAPSSOCPRDJVCV-CQSZACIVSA-N	317.389	1.962	50	20	DDGD	
CN(NC(=O)[C@H](O)CCc1ccccc1)C(=O)OC(C)(C)C	495932281	SINCHELRZOKPFD-CYBMUJFWSA-N	308.378	1.878	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)C[C@H]1CCCOC1	822731009	DMHKSLBRRFFJSG-SNVBAGLBSA-N	310.325	1.872	50	20	DDGD	
CCN(CCO)NC(=O)c1cccc(Br)c1F	823879578	PQHHMPDRZIGVFA-UHFFFAOYSA-N	305.147	1.547	50	20	DDGD	
CN(NC(=O)Nc1ccccc1N(C)S(C)(=O)=O)C1CC1	824232377	AASJSEABCYWSMO-UHFFFAOYSA-N	312.395	1.213	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)Nc1ccc(OC)cc1)C(C)C	491671204	FJEKKRKLKPWAGJ-CYBMUJFWSA-N	304.350	1.689	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCCOC2)cc1C	727722352	JHLVJZGWXBZKQX-CYBMUJFWSA-N	306.362	1.256	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cc(F)ccc1F	826448622	DAWWUEVAHKQARH-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc2c(c1)CCCO2	901965705	GMCMPSJLZDZYOH-UHFFFAOYSA-N	322.386	1.125	50	20	DDGD	
CC(C)[C@H]1CN(C)CCN1C(=O)/C(C#N)=C\c1cnn(C)c1	491159233	HZWCCTYCYLTMNI-XIEDVDOYSA-N	301.394	1.126	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc(C)c(OCC)c1	495602864	KIMOQTNZIQUWRK-UHFFFAOYSA-N	309.322	1.110	50	20	DDGD	
O=C(CN1CSCCSC1)NNc1ncc(F)cc1F	909546063	HLPKGKRDBNISAK-UHFFFAOYSA-N	320.390	1.500	50	20	DDGD	
Cc1nc(-c2ccc(C(=O)N3CC[C@H](B(O)O)C3)s2)cs1	585066904	NTOPVLFYYSKREM-VIFPVBQESA-N	322.220	1.869	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)[C@H]1CCCCO1)c1c(C)noc1C	836376827	OKEPIYFQNYURJJ-VXGBXAGGSA-N	324.381	1.642	50	20	DDGD	
Cc1ccc(C=NNC(=O)NCC(F)(F)F)cc1C(=O)O	901170947	VNJJOXMNAVKEHR-UHFFFAOYSA-N	303.240	1.889	50	20	DDGD	
C[C@H]1CN(C(=O)[C@]2(C)C[C@H]2Br)C[C@@H](C)N1CCO	909033344	OJNCUZCRRAUGIY-LSCVPOLPSA-N	319.243	1.073	50	20	DDGD	
CC(C)(CC(=O)O)CC(=O)NNc1cc(C#N)cc(Cl)n1	833454115	CHGQHQMOJXBYQS-UHFFFAOYSA-N	310.741	1.941	50	20	DDGD	
CCCCC[C@@H](O)C(=O)NNc1ccc(C(=O)OC)cc1F	837205949	GYHLWAPNIDMKPM-CYBMUJFWSA-N	312.341	1.997	50	20	DDGD	
Cc1ccc(CN2CC[C@@H](NS(=O)(=O)CCl)C2=O)cc1	831254582	AGLLTOOPWIVOQX-GFCCVEGCSA-N	316.810	1.212	50	20	DDGD	
O=C(CN1CCC[C@H]1Cc1ccc(F)cc1)NNC(=O)C1CC1	733194311	INFZCPMRTORCJA-HNNXBMFYSA-N	319.380	1.390	50	20	DDGD	
O=C(NNC(=O)c1ccc(C(=O)O)c(F)c1)NC1CCCC1	833149191	HULHHYCMQAGLFV-UHFFFAOYSA-N	309.297	1.411	50	20	DDGD	
O=C(NN=Cc1ccc(O)cc1)c1cccc(-c2nn[nH]n2)c1	738128437	BWGBLTAMPBYDMU-UHFFFAOYSA-N	308.301	1.336	50	20	DDGD	
C[C@@H]1O[C@H](C)CC1=NNC(=O)c1cccc(S(C)(=O)=O)c1	834941966	USJFPGQKIOZMFH-ZJUUUORDSA-N	310.375	1.373	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1CCc2sc(Cl)cc21	585042111	ZSOJMRATSBABQA-GFCCVEGCSA-N	307.611	1.858	50	20	DDGD	
Cn1c(C(=O)NNC(=O)[C@H]2CCCCO2)cc2ccccc21	833256141	KZINXZJOCNQSNH-CQSZACIVSA-N	301.346	1.508	50	20	DDGD	
OB(O)c1ccccc1CNC[C@@H]1CCCN(c2ccccc2)C1	585039500	WBPJYWPZZANFNM-INIZCTEOSA-N	324.233	1.373	50	20	DDGD	
C[C@H]1Oc2cc(F)ccc2[C@@H]1NCc1ccccc1B(O)O	585039751	BHIMPHPEQJPOCH-QLJPJBMISA-N	301.126	1.117	50	20	DDGD	
C=CC(C)(C)CNC(=O)NNC(=O)COc1ccccc1F	836191250	IYLRHEDNZBYRGF-UHFFFAOYSA-N	309.341	1.747	50	20	DDGD	
COCCOC[C@@H]1CCN(C(=O)[C@@]2(C)C[C@@H]2Br)C1	906834703	JJAKYCILKOSXFD-MDZLAQPJSA-N	320.227	1.671	50	20	DDGD	
CCC(C)(C)OCC(=O)NNC(=O)COc1cccc(C)c1	837311841	VHGFEVZRTVVPCB-UHFFFAOYSA-N	308.378	1.726	50	20	DDGD	
CC[C@H](COC)NC(=O)NNC(=O)Nc1ccc(OC)cc1	836319375	UBFZRHKZHCBWPL-SNVBAGLBSA-N	310.354	1.456	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCC(=O)NOC)c1C	832773511	RJUNNPGPXNCXTJ-RIYZIHGNSA-N	318.377	1.216	50	20	DDGD	
CC(F)(F)CCC(=O)NNC(=O)COc1ccccc1O	730781037	CUDRUKUHGLUBCS-UHFFFAOYSA-N	302.277	1.354	50	20	DDGD	
CC(=O)Nc1cccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	831127089	AZVZWERPUYXYES-ZANVPECISA-N	320.349	1.223	50	20	DDGD	
CC(C)C(=O)NNC(=O)CC(C)(C)NC(=O)OC(C)(C)C	739681146	UTSAQQAWIPKZKK-UHFFFAOYSA-N	301.387	1.483	50	20	DDGD	
O=S(=O)(c1ccc(N2CC[C@H](B(O)O)C2)cc1)C(F)(F)F	585074109	SYEUEOXFEAYODF-QMMMGPOBSA-N	323.101	1.033	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCCCC[C@H]1c1ccncc1	584929728	ORZQUXRXRMMLSV-KRWDZBQOSA-N	324.189	1.519	50	20	DDGD	
Cn1nnnc1COC(=O)CCCC[C@H]1CCSS1	733412224	OJJVPBWEMKJUHZ-VIFPVBQESA-N	302.425	1.967	50	20	DDGD	
C[C@@H]1Sc2ccc(C(=O)NNc3cccnn3)cc2NC1=O	736704011	DKOFKMKGYLSHQK-QMMMGPOBSA-N	315.358	1.666	50	20	DDGD	
CC1CCN(C[C@@H](C)C(=O)NNC(=S)NC(C)C)CC1	916118016	XUGSUUAYQAKHQM-GFCCVEGCSA-N	300.472	1.258	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cc2oc(=O)n(C)c2cc1F	839162850	CKSCGRQWXGKNBT-SSDOTTSWSA-N	324.312	1.469	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)N[C@@H](C)C[C@@H](C)N)cc1	831203749	ZLFSFRHOFUJPOU-NEPJUHHUSA-N	322.409	1.084	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)Cn2nc(C)cc2C)o1	915951334	LTTWZUNJVRWAFK-UHFFFAOYSA-N	304.306	1.030	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)N[C@H]2CCC[C@@H]3C[C@H]23)c1	838775636	FIMQLKLOKJNVED-SWHYSGLUSA-N	323.418	1.905	50	20	DDGD	
O=C(CC(F)(F)F)NN=Cc1ccc(N2CCOCC2)s1	917550588	IHZHTIUTTPGYHF-UHFFFAOYSA-N	321.324	1.987	50	20	DDGD	
Cc1onc(-c2ccc(F)cc2)c1C(=O)NNC(=O)N(C)C	746005969	FZDHJEJWXICTBD-UHFFFAOYSA-N	306.297	1.705	50	20	DDGD	
O=C(NNC(=O)c1cnn2cccnc12)c1cc2ccccc2o1	749474367	UOSRMBGMVSDNQT-UHFFFAOYSA-N	321.296	1.550	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)C(=O)NNC(=O)c1ccccc1O	749930788	PIHDNHQHWRDTMV-MRVPVSSYSA-N	303.318	1.562	50	20	DDGD	
O=C(NC[C@@H](O)c1ccccc1F)NNC(=O)C1CCCC1	916472653	ZKUOLSRPVRXITO-CYBMUJFWSA-N	309.341	1.380	50	20	DDGD	
COc1cccc([C@@H]2C[C@H]2CNC(=O)NNc2ccncn2)c1	841589799	LTUCVYPWXPKKFG-JSGCOSHPSA-N	313.361	1.915	50	20	DDGD	
CSSCCNC(=O)NCc1nc([C@@H]2CCCO2)n[nH]1	847369092	JEYJMWPKICBTSK-QMMMGPOBSA-N	317.440	1.467	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)CSc2ccccc2[N+](=O)[O-])CN1C	842568673	YUFZZEFPWPVUHT-SNVBAGLBSA-N	322.390	1.883	50	20	DDGD	
Cc1nn(CC(=O)NNc2ccc(C(C)(C)C)cc2)c(=O)n1C	847693745	XGLJQIQENLKODG-UHFFFAOYSA-N	317.393	1.331	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1)N[C@H]1CCCNCC1	841979114	QBXAGQMSPRLJCS-LBPRGKRZSA-N	310.785	1.426	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=C2CN3CCC2CC3)n1	915049228	RNWYEEPEUTWFFB-UHFFFAOYSA-N	319.434	1.383	50	20	DDGD	
CC(C)N(C[C@H](O)CO)S(=O)(=O)c1ccc(CCl)cc1	916452991	IAVPVQJLVVVRJG-LBPRGKRZSA-N	321.826	1.178	50	20	DDGD	
CO[C@H](C=NNC(=O)Cn1cnc2ccccc21)[C@@H]1CCOC1	841608700	HAAQIJVPGRZVSQ-IUODEOHRSA-N	316.361	1.190	50	20	DDGD	
O=C(CCN1CCCCCC1)NN=Cc1ccc([N+](=O)[O-])o1	916356063	VNROFIAHABQHBW-UHFFFAOYSA-N	308.338	1.904	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cc(F)c(OC)cc1OC	844274832	HWQDLZFSHCWIPT-IZZDOVSWSA-N	308.309	1.512	50	20	DDGD	
NC(=O)C1(C(=O)NNC(=O)c2ccc3ccccc3c2)CCC1	747916853	JSOCHKMKMJSXKC-UHFFFAOYSA-N	311.341	1.256	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)c1ccccc1)OCC1CC1	840427066	JSIPZDZNGYNOPX-UHFFFAOYSA-N	305.378	1.836	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@H](C)N2CCCCC2)n1	746757525	OEZPQWWLQJXISS-LBPRGKRZSA-N	322.413	1.294	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)C(=O)NNC(=O)Cc1ccc(F)cc1	749838098	ONBVDJWZRXCNSV-SECBINFHSA-N	319.336	1.924	50	20	DDGD	
CN(C)c1cc(C(=O)NNc2cccc([N+](=O)[O-])c2)ccn1	748006263	MVABICDAPKDPRP-UHFFFAOYSA-N	301.306	1.813	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H](N)C(C)C)c1F	841944220	DIGSMLXOKDUPOP-SNVBAGLBSA-N	312.345	1.222	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc(-c2ccco2)s1	843653302	WTOAOJVONGOKBV-DTWKUNHWSA-N	321.358	1.589	50	20	DDGD	
Cc1ccccc1OCCCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843643412	MJBKCUDPINLHST-UONOGXRCSA-N	320.389	1.726	50	20	DDGD	
COCC1(CC(=O)NNC(=O)c2ccc3ccccc3n2)CC1	843749911	PSXHUBOILXUMGB-UHFFFAOYSA-N	313.357	1.813	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc(F)cc(F)c1O	929426696	AXWMJRFVTDJJTG-UHFFFAOYSA-N	303.334	1.578	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNc1oc(C(C)C)nc1C#N	755255583	PJXIZZYQASYFJO-UHFFFAOYSA-N	321.381	1.761	50	20	DDGD	
CCC[C@H](O)CC(=O)NNC(=O)c1ccc(OCC)c(OC)c1	750079550	WZVUBMYSMJNVGG-LBPRGKRZSA-N	324.377	1.406	50	20	DDGD	
CC(C)(C)Oc1c(F)cc(NC(=O)NNC(=O)CO)cc1F	757999922	ZDFCIKORNZESQN-UHFFFAOYSA-N	317.292	1.287	50	20	DDGD	
COc1ccc(NNC(=O)CCCC(N)=O)c(C(F)(F)F)c1	857265278	HKOMBDHITVAOBH-UHFFFAOYSA-N	319.283	1.813	50	20	DDGD	
C[C@H](C(=O)NNc1ccnc(Cl)c1)n1nnnc1C(C)(C)C	855465367	LZXNPNBHXVIXAC-MRVPVSSYSA-N	323.788	1.723	50	20	DDGD	
C[C@H]1N(C(=O)NNC(=O)c2cccc(F)n2)CCOC1(C)C	852709270	QMWQDCSRZCOFKI-SECBINFHSA-N	310.329	1.074	50	20	DDGD	
C[C@@H](CN(C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CCCCC1	858701127	HYMVQHULVCVEKB-AAEUAGOBSA-N	324.425	1.154	50	20	DDGD	
COc1cc(C(=O)NNC(=O)NCC2CC2)cc2c1O[C@H](C)C2	920859146	SUJDXBXGNKHXDT-SECBINFHSA-N	319.361	1.373	50	20	DDGD	
C/C=C(/C=C/C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)CC	855831900	LZWDAVMCRMQOOY-OGCXVWDESA-N	323.437	1.989	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C1CCC1	756102286	ZUPHRYJVHGISBI-HZMBPMFUSA-N	319.361	1.345	50	20	DDGD	
CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NNc1cccnn1	753098610	HWWQTBIGPBQYDF-YPMHNXCESA-N	320.397	1.140	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H]1Cc2cc(F)ccc2O1)C1CC1	855101523	WQYKTIWYYGXONU-SDBXPKJASA-N	323.393	1.423	50	20	DDGD	
CC(CN1Cc2ccccc2C1=O)=NNC(=O)c1c[nH]nc1C	754946245	YXIVZBWNXAZCHX-UHFFFAOYSA-N	311.345	1.480	50	20	DDGD	
CC[C@@H](CN1CCCC1)NC(=O)NNc1ncc(Cl)cn1	856878397	QUXYFZHMGJVKOX-NSHDSACASA-N	312.805	1.631	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)CCCNC(=O)C(C)(C)C	853407968	JPSAXLUELBRSIH-GFCCVEGCSA-N	324.425	1.090	50	20	DDGD	
CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)NNc1ccc(F)cn1	852691716	KNNLTALTTOMFQN-XHDPSFHLSA-N	324.356	1.969	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CCc2ccon2)cc1	854510769	SRTZKTQNOQTCKW-UHFFFAOYSA-N	317.345	1.396	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)c1ccccc1)C1CCCC1	851936105	VYOCQUNBUVOXIW-AWEZNQCLSA-N	305.378	1.836	50	20	DDGD	
CCCCn1ncc(NC(=O)NNC(=O)c2cnccn2)c1C	757749288	JCOYQQUVMHLOIN-UHFFFAOYSA-N	317.353	1.248	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1c(F)ccc2ccncc12	855005587	HZSHQDNNRSAVPB-ONGXEEELSA-N	317.320	1.560	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=Cc1cc(F)ccc1F	750944220	VIFFMCMHHZWYAE-UHFFFAOYSA-N	323.324	1.906	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)C/C(C)=C/c1ccccc1	755194703	KIMHHAVOZPYTNM-YPDDLIOESA-N	303.406	1.968	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccnc2ccncc12	855089603	YEFOTAVJLOFBAY-UHFFFAOYSA-N	315.402	1.539	50	20	DDGD	
C[C@H](NC(=O)NNc1cc(F)ccc1F)[C@H]1CN(C)CCO1	921553050	HTJLTSVBFRNEQI-TVQRCGJNSA-N	314.336	1.310	50	20	DDGD	
CC[C@H](C)CC[C@@H](O)CC(=O)NNC(=S)N[C@H](C)C1CC1	855097148	KLHBUXZCGJUIEM-DMDPSCGWSA-N	315.483	1.858	50	20	DDGD	
C[C@]1(CNC(=O)CCN2CCCC2=O)C[C@H]1Br	857404856	ZYSRFRIQVPOCCY-BXKDBHETSA-N	303.200	1.289	50	20	DDGD	
O=C(NNC(=O)C1(c2cccnc2)CC1)OCC(F)(F)F	856020886	YAGQBLNNMGARAV-UHFFFAOYSA-N	303.240	1.433	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)c2ccc(C(F)F)cc2)nn1	757398380	IEOQHAIVUQFZFR-UHFFFAOYSA-N	307.260	1.270	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)C[C@@H]2CCC(=O)N2)cc1C	854573294	FEGAHVDKTMZOLT-NSHDSACASA-N	319.361	1.284	50	20	DDGD	
COCC(C)(C)C=NNC(=O)c1nnc(O)c2ccccc12	754911421	CZENKHPUVIBPOH-UHFFFAOYSA-N	302.334	1.724	50	20	DDGD	
BrC[C@H](CN1CCOC[C@]12CCOC2)C1CC1	859294491	UKTUEIPKSJXUMI-CHWSQXEVSA-N	304.228	1.899	50	20	DDGD	
O=C(O)COc1ccc(C=NNC(=O)OCC(F)(F)F)cc1	853432229	SQNMMLWENXBHER-UHFFFAOYSA-N	320.223	1.772	50	20	DDGD	
CC(C)(C)NCCC(=O)NNC(=O)c1cc2ccccc2o1	934206073	YLPPELYBBRBXKZ-UHFFFAOYSA-N	303.362	1.972	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1nc[nH]c1C(C)(C)C	867163053	ZCMRRZROFZBKHN-UHFFFAOYSA-N	315.468	1.179	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1nc[nH]c1C(C)(C)C)C1CC1	869219487	VIBKVMHJURPMLW-QMMMGPOBSA-N	309.439	1.615	50	20	DDGD	
CC(C)Cn1cccc(C(=O)NNc2ccnc(F)c2)c1=O	935307759	QOJDGUMTYSRRMP-UHFFFAOYSA-N	304.325	1.795	50	20	DDGD	
CCn1ncc2cc(C(=O)NN[C@@H](C)C(F)(F)F)c(C)nc21	862320482	SJTUQQNOTRPTLS-QMMMGPOBSA-N	315.299	1.945	50	20	DDGD	
O=C(C[C@H]1CC(=O)Nc2ccccc21)NNC(=O)C1CCC1	932516850	MQBLZOXQYPTNLS-LLVKDONJSA-N	301.346	1.450	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2conc2C)c1	864460827	HQCBWGLPQLDHOD-UHFFFAOYSA-N	303.318	1.440	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CCSC2)cc1	762032727	NAIIIQYBZIHJTF-GFCCVEGCSA-N	322.386	1.052	50	20	DDGD	
CN(C)C(=O)Nc1cccc(NCc2cccc(B(O)O)c2)c1	864038094	ATEJHEDUHGCGOR-UHFFFAOYSA-N	313.166	1.072	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCCC[C@H]1C(N)=O	767029455	JLPUFDKWWOWXPY-DTWKUNHWSA-N	305.216	1.662	50	20	DDGD	
CCCCCS(=O)(=O)CC(=O)NNc1nc2ccccc2[nH]1	768507035	KZZKJWNZGBCJFU-UHFFFAOYSA-N	324.406	1.611	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1cc2c(C)c(C)ccc2[nH]1	869909915	MDGOCZZVNYLPCC-UHFFFAOYSA-N	319.361	1.209	50	20	DDGD	
O=C(NN=CC[C@@H]1CCOC1)c1csc(N2CCOCC2)n1	765564334	RQNCAYWVHPORPR-LLVKDONJSA-N	324.406	1.122	50	20	DDGD	
CN(CC(=O)NNC(=O)Cc1ccc(Cl)cc1)C1CCC1	863854464	QCQMCSCXXBBVPI-UHFFFAOYSA-N	309.797	1.514	50	20	DDGD	
CO[C@@H]1COC[C@H]1NC(=O)NNc1nc2c(C)cccc2s1	868737201	SDBUIWYGZMQDGW-NXEZZACHSA-N	322.390	1.645	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H](C)CN2CCOCC2)c(C)s1	760240377	DYEMYNZPCVZNEF-LLVKDONJSA-N	309.435	1.783	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@@H](COc2ccc(B(O)O)cc2)C1	863865455	DVLISVAXMKZJRA-GFCCVEGCSA-N	321.182	1.002	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)n1	764655968	PWRMHNVVONLJSA-NWDGAFQWSA-N	319.409	1.771	50	20	DDGD	
O=C(CCCNC(=O)C1CC1)NNc1nc2ccccc2[nH]1	768492716	UBNIWEROQOIPPE-UHFFFAOYSA-N	301.350	1.312	50	20	DDGD	
CCn1nccc1[C@@H]1OCCC[C@H]1C=NNC(=O)c1cn[nH]c1	863152073	FGPSITZBHIITQH-SMDDNHRTSA-N	316.365	1.510	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](NC(C)=O)C(C)C)c([N+](=O)[O-])c1	768329074	NLFYSECWTVVWOO-ZDUSSCGKSA-N	324.337	1.207	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)CCc1cnccn1	862288503	NHAXTBRPQNWKFJ-UHFFFAOYSA-N	314.345	1.709	50	20	DDGD	
CCc1ccc(C(=O)NNc2cccnn2)cc1S(C)(=O)=O	766193895	VTFSYLTUCSVXET-UHFFFAOYSA-N	320.374	1.199	50	20	DDGD	
COC(=O)c1ccn(CC(=O)NNc2c(C)cc(C)cc2C)n1	879016354	KGHLCOJJOFQKCP-UHFFFAOYSA-N	316.361	1.738	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@H](C)c1ccccc1O	879648272	HVZCICBWBKSQAE-VXGBXAGGSA-N	307.394	1.625	50	20	DDGD	
COC(=O)N(C)NC(=O)NCC(C)(C)c1cccc(OC)c1	875410373	RQTPNJNTHZOTHO-UHFFFAOYSA-N	309.366	1.885	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)NCC2CC2)CC(c2ccccc2)=NO1	874194176	CNYCIKYPGGXVKR-INIZCTEOSA-N	316.361	1.310	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)c1cc2ccccc2cc1O)C(C)C	771716889	KZQRROXLSKWUQO-HNNXBMFYSA-N	316.357	1.977	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cn1cnc2ccccc21)c1ccccc1	771868193	PUPOJYGFHVMXDC-ZDUSSCGKSA-N	322.368	1.987	50	20	DDGD	
Cc1ccc(C(F)(F)C(=O)NNC(=O)c2cccn2C)cc1	779755702	VJVRMTQMGRXQHA-UHFFFAOYSA-N	307.300	1.887	50	20	DDGD	
O=C(NNc1ncccn1)Nc1ccc2c(c1)OCCCO2	775452864	QNZHYEDKVRWKRD-UHFFFAOYSA-N	301.306	1.787	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](O)CN1C[C@@H](CBr)C1CC1	879742942	UOVBZTUWORIXJM-GMTAPVOTSA-N	306.200	1.016	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CC1	778741001	ZMOBQYAZQRRVAM-UHFFFAOYSA-N	314.345	1.060	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(c2cccc(F)c2)CC1	772134245	GFCBQXGQOUWIIW-JTQLQIEISA-N	322.336	1.346	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N[C@H]2CCCOCC2)c1	776319553	LNDJAMYXAMLCLT-ZDUSSCGKSA-N	302.334	1.071	50	20	DDGD	
C#CCO[C@@H](C)C(=O)NNC(=S)Nc1ccc(C)c(C)c1	873761897	KKFUUNKUWHAJCO-LBPRGKRZSA-N	305.403	1.659	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@H]1C[C@@H](O)C1	873852937	GEZFEKZTTPUYOB-TXEJJXNPSA-N	307.419	1.646	50	20	DDGD	
C[C@H](CBr)COC(=O)[C@@H](C)N1C(=O)CCC1=O	770345036	NKMVNSRTXLMCFS-HTQZYQBOSA-N	306.156	1.098	50	20	DDGD	
CCOc1nc(C(=O)NNC(=O)COc2ccc(F)cc2)co1	771881748	CCQUTCOUIZVJDO-UHFFFAOYSA-N	323.280	1.052	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NN=C1CCN(C)C1=O	773089813	AQLKDJWSSJBNEY-SECBINFHSA-N	309.753	1.442	50	20	DDGD	
CCn1nc(C)c(CNC(=O)NN=c2cc[nH]c(C)c2)c1C	875217844	QSEZXENVEWSWTL-UHFFFAOYSA-N	302.382	1.471	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C=C2CCCC2)cn1	874954139	OPCVWJVGPAJJNG-UHFFFAOYSA-N	306.391	1.908	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@](C)(O)c1ccc(Cl)cc1	887149439	WPSSQVKOTASETD-HNNXBMFYSA-N	308.765	1.498	50	20	DDGD	
O=C1OCCN1Cc1cn(/C(Cl)=C/CBr)nn1	881310370	IAVLNQKFUZTJOB-UNXLUWIOSA-N	321.562	1.662	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cccc(N2CCN(CC)CC2)c1	771272493	KJUTYUZFQHICAS-UHFFFAOYSA-N	319.409	1.391	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)COc1ccc(C=O)cc1	772842995	CDZPMONXPQFHGQ-UHFFFAOYSA-N	314.345	1.935	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cccc(C2OCCO2)c1	887145681	NOWHPPZHOAAXNL-UHFFFAOYSA-N	302.330	1.297	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)C1CCOCC1)c1ccccn1	883671579	MFSSCGUACPQJMR-UHFFFAOYSA-N	320.393	1.116	50	20	DDGD	
CN(CCCF)C(=O)NNC(=O)c1cccc2cccnc12	884107963	KNPYVIKGYBVHFA-UHFFFAOYSA-N	304.325	1.881	50	20	DDGD	
Cc1ccc(-n2cc(C=NNC(=O)CO)c(C(C)(C)C)n2)cc1	776783081	WEHKVPXBAZQFBD-UHFFFAOYSA-N	314.389	1.921	50	20	DDGD	
N#CSCCCNC(=O)c1ccccc1N1CCOCC1	773585358	HSPNWHQXGUDMEI-UHFFFAOYSA-N	305.403	1.857	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCCOC(F)(F)F	788845267	URLFXBOZRWVESL-UHFFFAOYSA-N	320.271	1.867	50	20	DDGD	
C[C@]1(COC(=O)[C@H]2CCCN(C(N)=O)C2)C[C@H]1Br	1123039417	OAWIIUYCLHFEOV-YGOYTEALSA-N	319.199	1.494	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1csc2cncn12	780738073	RQWSOIFLKRRKDB-UHFFFAOYSA-N	316.342	1.939	50	20	DDGD	
CCN(CCC(=O)NC)C(=O)/C(C#N)=C\c1ccc(F)cc1	888260903	UCRSPEGGTSSSPL-RAXLEYEMSA-N	303.337	1.717	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)CC(C)C)c1OC	789852682	ZAOYPKMSALTTQS-UHFFFAOYSA-N	308.378	1.830	50	20	DDGD	
CC(C)(C)OC(=O)CCCNS(=O)(=O)CBr	782464944	UCPRUUOTZZICED-UHFFFAOYSA-N	316.217	1.380	50	20	DDGD	
COc1cc(CO)ccc1C(=O)NNC(=O)NC1CCCCC1	899940639	SVBVDSFGAJEOPC-UHFFFAOYSA-N	321.377	1.464	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C1=Cc2cccc(OCC)c2OC1	780712322	ZSZIYGPWBHTUJF-UHFFFAOYSA-N	319.361	1.554	50	20	DDGD	
COCC(=O)NN=Cc1cccc(I)c1	789038920	WONIIYOPVOJIKM-UHFFFAOYSA-N	318.114	1.388	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1c[nH]nc1-c1ccccc1	899993313	WWYAWRRNHKKVRE-UHFFFAOYSA-N	317.418	1.984	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(N(C)C(C)C)nc1	790166954	FVEXUEGFGMYPJN-ZDUSSCGKSA-N	322.409	1.428	50	20	DDGD	
COc1ccc(NCC(=O)NN=Cc2c(C)cnn2C)cc1	794860286	OLKYTYDANFBEBB-UHFFFAOYSA-N	301.350	1.299	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCC=CO2)cc1C	798308485	BIUWYFADNAUHHV-ZDUSSCGKSA-N	317.345	1.082	50	20	DDGD	
COC(=O)C[C@H]1CCC(=NNC(=O)c2ccc(N)cc2)[C@@H]1C	794453129	KSIPCYCKQIAVPI-ZYHUDNBSSA-N	303.362	1.964	50	20	DDGD	
CCn1ccc(CN(C)[C@@H](C)C(=O)NNC(=O)CC(C)C)c1	792315518	KOHKIVXHZMZZHJ-ZDUSSCGKSA-N	308.426	1.522	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42	793749121	QDFNJBWBJNXDOW-UVDRMBIFSA-N	300.337	1.453	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccc2ccccc2n1)C(=O)OC	790097767	YUFHGBAIOBPYAC-LLVKDONJSA-N	315.329	1.195	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1[N+](=O)[O-])c1cc(C)on1	790291853	XQTWMGJYFKRAOI-UHFFFAOYSA-N	318.289	1.810	50	20	DDGD	
CSSCCNC(=O)Cn1cc(C(N)=O)c2ccccc21	791155766	SXRUNNHCFKLKDH-UHFFFAOYSA-N	323.443	1.868	50	20	DDGD	
CCCn1cc(NC(=O)C(=O)NCCSSC)cn1	793075725	BOJXVFBTZKHOSE-UHFFFAOYSA-N	302.425	1.359	50	20	DDGD	
COC(=O)c1ccc(O)c(C=NNC(=O)c2cccc(C)n2)c1	794572568	XGGAVOXKRLZKLF-UHFFFAOYSA-N	313.313	1.646	50	20	DDGD	
CO[C@H](C(=O)OC[C@H](C)CBr)c1cnn(C)c1	798772772	DUIOEYOAZNOSJA-SCZZXKLOSA-N	305.172	1.682	50	20	DDGD	
CCN(C[C@@H](C)CBr)[C@@H](C)CS(C)(=O)=O	133783909	YKUQRGXLEWBAMH-UWVGGRQHSA-N	300.262	1.772	50	20	DDGD	
CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N(C)N)C1	1573956479	DUHWTMYRBMNWND-CZUORRHYSA-N	321.377	1.135	50	20	DDGD	
C#CCN(CC(=O)NNC(=O)c1cccc(Cl)c1)CC1CC1	1319552262	NTMLYRPHOWPSBW-UHFFFAOYSA-N	319.792	1.446	50	20	DDGD	
COc1cc(O)ccc1C=NNC(=O)CCN1CCC(C)CC1	1317756790	QXKOWRJLRICRHS-UHFFFAOYSA-N	319.405	1.973	50	20	DDGD	
CS(=O)(=O)N1CCC[C@@H](CI)C1	86592890	DHIRHKKFNBRZEM-ZETCQYMHSA-N	303.165	1.093	50	20	DDGD	in-vitro
CC(=NNC(=O)CCO)c1ccc(-n2c(C)cnc2O)cc1	1327801079	FNDSQZYNGMYWMA-UHFFFAOYSA-N	302.334	1.109	50	20	DDGD	
CN(C)[C@H]1CCCC[C@@H]1NC(=O)NNc1nc2ccccn2n1	1321828209	BDWLYWXMVGEUTM-RYUDHWBXSA-N	317.397	1.228	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)CCl)CC2	1323269037	IWLVGOSBYVKLRU-UHFFFAOYSA-N	302.783	1.065	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)C[C@@H]2COC(=O)C2)c1	1326335467	JJVOUWZCDCPSNM-JTQLQIEISA-N	320.349	1.176	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1cccc(N2CCNC2=O)c1	1322776008	CKFKELFINYCMMF-UHFFFAOYSA-N	315.308	1.507	50	20	DDGD	
Nc1cnnc(NNC(=O)NCC[C@@H]2CCCCO2)c1Cl	1320048678	YVBGTBFFDXSYES-QMMMGPOBSA-N	314.777	1.298	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2SCCCS2)cc1	1325302702	GTPKUZKEPOCHAA-UHFFFAOYSA-N	312.416	1.652	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2ccnn2CC2CC2)CC1	1330008519	ACGQAHLLHVHANZ-UHFFFAOYSA-N	317.437	1.865	50	20	DDGD	
Cc1cccc(NNC(=O)C(=O)Nc2cnn(C)c2C2CC2)n1	1332258305	JYWHNNGOISKCAO-UHFFFAOYSA-N	314.349	1.083	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CCc3nnc(O)n3C2)ccc1Cl	1337426610	WSERUPKIUBNWCM-SECBINFHSA-N	321.768	1.651	50	20	DDGD	
C[C@@H]1COC[C@H]1NS(=O)(=O)c1ccc(CCCl)cc1	699460935	CJGCSOVXOZOWIH-ZWNOBZJWSA-N	303.811	1.781	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)c1ccccn1)c1ccccc1Cl	1339215118	ULHSGYBAQRPGEO-ZDUSSCGKSA-N	319.748	1.884	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cnc(C)c(Br)c1	1263651970	BPIKMSDKVMXEDE-UHFFFAOYSA-N	317.143	1.887	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCCCc1cccc(O)c1	1346106254	FYNVXDUIYFJLNT-UHFFFAOYSA-N	315.373	1.905	50	20	DDGD	
CCO[C@H]1CCN(C(=O)NNC(=O)c2ccccc2OC)C1	1263082181	ZAFRZTKSIGNXNM-NSHDSACASA-N	307.350	1.160	50	20	DDGD	
O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1C[C@@H]1F	1349341931	FXNHBOYLFJZSFW-IUCAKERBSA-N	308.281	1.484	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CCC[C@@H]2OC)c1F	1262628273	PTUFLOGMOWMPEA-SKDRFNHKSA-N	310.325	1.871	50	20	DDGD	
N#CSCCCNC(=O)c1cccc(N2CCNC2=O)c1	1351000859	HNBQXNUWMHPYBG-UHFFFAOYSA-N	304.375	1.550	50	20	DDGD	
Cc1csc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)n1	1609441644	DETWZSQIMXVESE-UHFFFAOYSA-N	301.335	1.389	50	20	DDGD	
O=C(O)c1cc(OC(=O)[C@H]2C[C@@]23CCOC3)ccc1[N+](=O)[O-]	1608857486	KYVLZTOWOZRZFQ-QMTHXVAHSA-N	307.258	1.625	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)N[C@H]1CCn2ccnc21	1601559355	QNOPZHKIMQEKPD-JTQLQIEISA-N	319.296	1.492	50	20	DDGD	
COc1cc(C(=O)NNc2ccc(C(=O)O)cc2F)ccn1	1607079711	KALKDQFSQZHEGQ-UHFFFAOYSA-N	305.265	1.684	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@@H](O)Cc2ccccc2)ccc1F	1608856921	ZKCMNROEOWIRIT-AWEZNQCLSA-N	318.304	1.571	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2nc[nH]c2C(F)(F)F)nc1	1608905233	JHFRZSLPLHYXMO-UHFFFAOYSA-N	315.211	1.279	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)c1cnn2ncccc12	1602229680	GFCGLYVLXHNUDN-UHFFFAOYSA-N	315.264	1.324	50	20	DDGD	
O=C(O)c1coc(C=NNC(=O)[C@H]2Cc3ccccc3O2)c1	1602553266	DRNMCHDWYLEUDZ-CYBMUJFWSA-N	300.270	1.432	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cc3c(s2)CCOC3)nc1	1602383651	VRIUQUBTRNBCDO-UHFFFAOYSA-N	319.342	1.671	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)c([N+](=O)[O-])c1	1604821182	PMNMERQJXCPRMK-BDAKNGLRSA-N	323.305	1.547	50	20	DDGD	
CN1CCC[C@@H]1CNC(=O)NNc1ccc(F)c(C(=O)O)c1	1606228758	KTTCRHGYFBYPGZ-SNVBAGLBSA-N	310.329	1.244	50	20	DDGD	
Cc1csc(C(=O)O)c1NC(=O)C(=O)NNc1ccccc1	1610545175	SMKVAOBWUIYRPI-UHFFFAOYSA-N	319.342	1.837	50	20	DDGD	
O=C(CCCCc1cnn[nH]1)NNc1ccc(F)c(C(=O)O)c1	1610655691	OZOWGYRJUSPFPX-UHFFFAOYSA-N	321.312	1.498	50	20	DDGD	
COC[C@H](NC(=O)CCCC[C@H]1CCSS1)C(=O)O	1610246715	UFTDAJAYLDNIDY-UWVGGRQHSA-N	307.437	1.916	50	20	DDGD	
C[C@@H](N)C1(C(=O)NNc2ccc([N+](=O)[O-])cc2)CCOCC1	1576107151	CXUOOJDOYDZESI-SNVBAGLBSA-N	308.338	1.182	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2NCC23CCCC3)c1C	1578877575	CFFUPULCMNPRQC-AWEZNQCLSA-N	317.389	1.757	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)c1cc2ccccc2o1)C(=O)O	1589055866	FAXQQPGTQGAKOY-MRVPVSSYSA-N	305.290	1.098	50	20	DDGD	
NCc1ncc(C(=O)NNc2ncccc2C(F)(F)F)cn1	1580354680	BZWMXYHUSIGECD-UHFFFAOYSA-N	312.255	1.106	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)C1(F)CC1)C2	1845167283	RZQWHGOBFLYMSE-JTQLQIEISA-N	302.777	1.709	50	20	DDGD	
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1cccc(C(=O)O)c1C	1596678001	VGLVUBLWCUPLCV-NWDGAFQWSA-N	320.345	1.726	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)Nc1ccnc(C(=O)O)c1	1594781950	LSLLUZWTFACUCG-UHFFFAOYSA-N	309.232	1.602	50	20	DDGD	
CCc1ncncc1C(=O)NNc1ccc(CC(=O)O)cc1	1597709224	KGQYMBMMQKGSGU-UHFFFAOYSA-N	300.318	1.423	50	20	DDGD	
Cc1ccc(C=NNC(=O)NCC(F)(F)F)c(C(=O)O)c1	1776036363	CUNZTTNIIPMTJI-UHFFFAOYSA-N	303.240	1.889	50	20	DDGD	
O=C(NN=Cc1cc(Cl)ncc1C(=O)O)c1ccc(O)cc1	1776012634	JOFPBYZJDVJTQG-UHFFFAOYSA-N	319.704	1.903	50	20	DDGD	
Cn1nc(C(=O)O)cc1C=NNC(=O)[C@@H]1CCO[C@H]1C(C)(C)C	1776107161	MOCQXBGURGXMFR-ZYHUDNBSSA-N	322.365	1.020	50	20	DDGD	
CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](Cl)CC)C2)C1	1781213236	HFPOEDZEHCMYHU-BXUZGUMPSA-N	302.802	1.244	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1ccccc1[N+](=O)[O-]	15765313	AKEGTSMQQQBVQP-UHFFFAOYSA-N	317.276	1.738	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@H]2CCN(CC(C)C)C2)n1	150765396	XBJVNMWBUFZBMN-GFCCVEGCSA-N	322.413	1.089	50	20	DDGD	
C=CCCC(=O)NNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1	151267588	YCBFUBQRUDVEKI-UHFFFAOYSA-N	302.309	1.943	50	20	DDGD	
CCC[C@H](C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)C(C)C	152680355	ZJYVPNUKWPGINE-STQMWFEESA-N	304.456	1.551	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)Cc2cccnc2)CCCS1	153139692	HWGMXITYKDQPPP-CQSZACIVSA-N	308.407	1.240	50	20	DDGD	
N#Cc1ccc(NNC(=O)Cn2nnc(-c3ccccc3)n2)cc1	155581385	ZRDOWSHNTSKTPR-UHFFFAOYSA-N	319.328	1.355	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNc1ccc(C(F)(F)F)cn1	274758495	QJBYLZRJXFGKTR-LURJTMIESA-N	306.244	1.288	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2cccc(C#N)c2)c1C	103403138	GHDCKLQRTGSVII-UHFFFAOYSA-N	324.340	1.781	50	20	DDGD	
Cc1ncc([N+](=O)[O-])cc1C(=O)NNc1ccccc1[N+](=O)[O-]	52930831	HDZVGQHKWFMQFT-UHFFFAOYSA-N	317.261	1.963	50	20	DDGD	
C[C@H]1CC[C@H](NC(=O)NNC(=O)Cc2cccnc2)[C@H](C)C1	113401244	RBUXDBLPNHINLA-SCRDCRAPSA-N	304.394	1.779	50	20	DDGD	
O=C(NNc1ncccn1)N[C@@H]1CCCN(c2ccccc2)C1	115838047	MURGRYOBMBBCTQ-CYBMUJFWSA-N	312.377	1.772	50	20	DDGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1c[nH]nn1	171191436	OWVMTMLETQGZPK-UHFFFAOYSA-N	300.105	1.186	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)c1ccc2c(c1)C(=O)NC2=O	113431709	CALZGCAIBTZIHO-UHFFFAOYSA-N	317.251	1.605	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(OC(F)F)c2)[nH]n1	103111607	AZRPVFSBOOVAML-UHFFFAOYSA-N	310.260	1.394	50	20	DDGD	
O=C(CSCc1cccnc1)NNC(=O)NCc1ccco1	65148444	ABYAYPOUTMAFLW-UHFFFAOYSA-N	320.374	1.438	50	20	DDGD	
CCCCOCC(=O)NNC(=O)c1cc(Br)c[nH]1	118305899	UWKRTMRFRWGNKR-UHFFFAOYSA-N	318.171	1.355	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2cccnc2S)c1	29233520	MKEHHPKOZDLCFK-UHFFFAOYSA-N	317.370	1.519	50	20	DDGD	
CCc1ccc(NC(=O)NNC(=O)Cn2nc(C)cc2C)cc1	119015137	SFEFQBYNMUNWNC-UHFFFAOYSA-N	315.377	1.915	50	20	DDGD	
Cc1sc(-c2ccco2)nc1C(=O)NNC(=O)CN(C)C	113426161	GNMVJPJWOGHWPH-UHFFFAOYSA-N	308.363	1.034	50	20	DDGD	
Cc1cccc(N2CCN(S(=O)(=O)CCl)CC2)c1C	111001087	ZKCOQIHKNKMWDR-UHFFFAOYSA-N	302.827	1.952	50	20	DDGD	
Cc1[nH]c(C(=O)NNc2cnccn2)c(C)c1C(=O)OC(C)C	114882002	OABHPZJBRBXBRN-UHFFFAOYSA-N	317.349	1.744	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@]23CCc2ccccc23)[nH]n1	178370129	ZPCZPCLOCLLORL-GUYCJALGSA-N	310.357	1.383	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccncc1)c1cccc(O)c1	176355938	BQYPENXFHUTWEX-LLVKDONJSA-N	314.345	1.421	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)[nH]n1	173406307	WKVZJMVBRIKSHD-UHFFFAOYSA-N	316.365	1.505	50	20	DDGD	
N#C/C(=C\c1cnn(CCCl)c1)C(=O)NC[C@@H]1CCCO1	171537066	BXELHCGMMDZLAI-UWUHSAQLSA-N	308.769	1.324	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	64427342	DFGCXPDGQZKNKM-UHFFFAOYSA-N	319.340	1.960	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCCC2)NNC(=O)c1ccccn1	69352788	IGNMBHYGIYPCMN-UHFFFAOYSA-N	309.369	1.964	50	20	DDGD	
CN(CC1(O)CCOCC1)/C(=C/C#N)c1ccc([N+](=O)[O-])cc1	189773454	PIFPIDLJWWLJQE-GIDUJCDVSA-N	317.345	1.933	50	20	DDGD	
COc1cccc(NNC(=O)NCc2cccc([N+](=O)[O-])c2)n1	181105410	QMZIWJAEGURMPY-UHFFFAOYSA-N	317.305	1.825	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCc1ccnn1C	185854428	GHPPAGGQXRWTIW-UHFFFAOYSA-N	309.801	1.445	50	20	DDGD	
COCCC[C@H](C)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	182117665	FDVSGWRCCFARGF-JTQLQIEISA-N	309.322	1.419	50	20	DDGD	
C[C@H](C1CC1)n1cc(NC(=O)NNC(=O)c2ccc[nH]2)cn1	189651062	SVRHQYVTMXZWSQ-SECBINFHSA-N	302.338	1.649	50	20	DDGD	
Cc1cc(C)cc(C(=O)NCC(=O)NNC(=O)C(C)(C)C)c1	77219614	WBMPHTIJPGYDNM-UHFFFAOYSA-N	305.378	1.227	50	20	DDGD	
CC(=O)CCCC(=O)NNC(=O)Cn1ccc2ccccc21	185311054	SXYQRPYKIAEYJU-UHFFFAOYSA-N	301.346	1.548	50	20	DDGD	
N#CC(C#N)=CNCC(=O)Nc1ccc(Br)cc1	48629558	VTKXBIWRWAKVHF-UHFFFAOYSA-N	305.135	1.908	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3)cc1	131428343	PTGPWTSXWYINHX-UHFFFAOYSA-N	324.340	1.571	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)Nc1cccc(F)n1	134317149	SXCXQTMXYLHQTM-UHFFFAOYSA-N	318.308	1.590	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@H]1CCCc2cccnc21	194295779	ZVAWZRHGQULLMT-AWEZNQCLSA-N	310.357	1.287	50	20	DDGD	
CCOC1CC(CCNC(=O)NNC(=O)Cc2cccnc2)C1	191685005	LGHRPHMHKNYGAW-UHFFFAOYSA-N	320.393	1.160	50	20	DDGD	
CCOCCNC(=O)NNC(=O)c1ccc2ccccc2n1	45644330	MHWWAGGXXMYGFA-UHFFFAOYSA-N	302.334	1.215	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)NOC[C@@H]1CCOC1	190434436	QPRDJRQUFTTZOP-SSDOTTSWSA-N	305.256	1.698	50	20	DDGD	
O=C(CCc1nnc[nH]1)NNc1ncc(Cl)cc1Cl	132578617	ODRPKCXGYCQWLI-UHFFFAOYSA-N	301.137	1.582	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H]2CCCCC(=O)N2)cc1	193681746	YYWBPUIGUDGDPR-CYBMUJFWSA-N	303.362	1.069	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCc2cccnc21)c1ccccc1O	192857369	OHCBJQGBNZGMPU-ZDUSSCGKSA-N	311.341	1.668	50	20	DDGD	
CS[C@@H](C)CNC(=O)NNc1ccc(-n2cccn2)nn1	133888359	LXKKEKJFNBQYAD-VIFPVBQESA-N	307.383	1.040	50	20	DDGD	
O=C(C#Cc1ccc(C(F)(F)F)cc1)NNc1cnccn1	190381030	TZBMFBBJIXZZDS-UHFFFAOYSA-N	306.247	1.990	50	20	DDGD	
CC(=O)CSCC(=O)NNC(=O)c1cccc2ccccc12	192595339	UNGJLBWTMWQEOE-UHFFFAOYSA-N	316.382	1.923	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(Br)cn1CC	194648766	WKUORJYAIZJMBV-UHFFFAOYSA-N	304.144	1.661	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NC[C@H]2CCCOC2)cc(C#N)n1C	255369586	QXSBHFXKYWHMRF-IUSDJGRYSA-N	312.373	1.655	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1ccccc1O	263627239	NIEDDRMQDPYBDH-UHFFFAOYSA-N	300.314	1.930	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@H](C)C(C)(C)C)c1	265216487	VWWXYZGCDWBWKA-NSHDSACASA-N	307.394	1.937	50	20	DDGD	
CCCSCC(=O)NNC(=O)CNc1cccc(OC)c1	264008311	KHEARBDGBPDNLI-UHFFFAOYSA-N	311.407	1.398	50	20	DDGD	
CC(=O)N1CCc2cc(C(=O)NNC(=O)C3CCC3)ccc21	264670423	GOWHSRCXAZBAGB-UHFFFAOYSA-N	301.346	1.157	50	20	DDGD	
CCC(=O)N1CC[C@H](NC(=O)NNc2c(F)cccc2F)C1	268561197	OFRMPLYFCYHRAD-VIFPVBQESA-N	312.320	1.602	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)NCc1ccc(C)cc1C	267134707	DHNBOZNQJDDAIK-ZDUSSCGKSA-N	323.393	1.185	50	20	DDGD	
COc1ccc2c(c1)[C@H](C(=O)NNC(=O)NC1CCCC1)CC2	277302542	VMQYXBYFZORLOI-CQSZACIVSA-N	317.389	1.998	50	20	DDGD	
CC[C@@H](C)N(C)CCNC(=O)NNC(=O)c1cccc(C)n1	279977756	QFYJGOFWWZVCCL-GFCCVEGCSA-N	307.398	1.064	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NC[C@@H]1CCSC1	279508818	JFFIEPATTBABRV-ZDUSSCGKSA-N	323.418	1.287	50	20	DDGD	
COc1ccc(NNC(=O)CCSc2nnc(C)[nH]2)nc1	275580596	OGXPNUAEFUOOMI-UHFFFAOYSA-N	308.367	1.142	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1cccc(C)c1F	273431689	UCBBGBVFLJNVLJ-JTQLQIEISA-N	313.329	1.338	50	20	DDGD	
COc1cccc(NNC(=O)NC2CCC(NC(C)=O)CC2)n1	272582349	PVSOHMQYUFZJFV-UHFFFAOYSA-N	321.381	1.164	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)CC(C)(C)O)c1	279690127	FRRCJCXUJZIWFT-UHFFFAOYSA-N	322.405	1.806	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@H]2C[C@@H]2C2CCCCC2)cn1	372645432	SMDCSOZWNADECM-OLZOCXBDSA-N	305.382	1.333	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C	371102888	YDTGHXULIXXFGO-GMTAPVOTSA-N	313.398	1.929	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1	370367853	WZDJFAZRSFFAHC-OTTFEQOBSA-N	324.425	1.106	50	20	DDGD	
CSSCCNS(=O)(=O)c1c[nH]c2ncccc12	284586158	HLYAUKDPKIFVIL-UHFFFAOYSA-N	303.434	1.852	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)c1	282798309	WXTLJSTUGGTXOU-WOSRLPQWSA-N	320.389	1.643	50	20	DDGD	
COCCN(C)NC(=O)Cc1ccc(Br)cc1	288340217	FQEKZMVVQNNUCC-UHFFFAOYSA-N	301.184	1.601	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1	286157050	AYCHNMBANGVTIT-VIFPVBQESA-N	307.133	1.756	50	20	DDGD	
O=C1CC[C@@H](NC(=O)NNc2cccc(F)n2)C2(CCC2)N1	286947106	KHPLWLKZGSFXJY-SECBINFHSA-N	307.329	1.048	50	20	DDGD	
O=C(CCC1CCCC1)NNC(=O)CNC(=O)c1cccs1	299702676	VXXNNZNFYWGXBS-UHFFFAOYSA-N	323.418	1.596	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)N[C@H]1CCC(F)(F)C1	805214063	NLLXHDOJJQNJGY-VIFPVBQESA-N	323.307	1.476	50	20	DDGD	
CO[C@@H](Cc1ccccc1)C(=O)NNC(=O)CC1CCCC1	295293321	QJSWKPGDRLQVMF-HNNXBMFYSA-N	304.390	1.972	50	20	DDGD	
COc1ccc([C@@H](O)CNC(=O)NNC(=O)C(C)(C)C)cc1	298692933	RUIZUAZLUKZBFX-LBPRGKRZSA-N	309.366	1.105	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cc(F)c(F)c(F)c1	802025661	MAKCADINFKDOQD-UHFFFAOYSA-N	310.235	1.387	50	20	DDGD	
COCCN(C)NC(=O)c1ccn(CCc2ccccc2)n1	297175237	UCYWDYZMNQAQMZ-UHFFFAOYSA-N	302.378	1.349	50	20	DDGD	
Cc1ccc([C@@H](C)NC(=O)NNC(=O)[C@H]2CCCCO2)cc1	296216127	IZSVAKBJSKVJFN-TZMCWYRMSA-N	305.378	1.956	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)cn1	803426958	FSLJTWHXAXRQEH-UHFFFAOYSA-N	310.313	1.689	50	20	DDGD	
CCN1C[C@@H](C(=O)NNc2cc(C(F)(F)F)ccn2)CC1=O	295479715	YZYHZCXPAQFFRH-QMMMGPOBSA-N	316.283	1.412	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2ncoc2C2CC2)c1	292728084	IPSQJCYXRQILSK-UHFFFAOYSA-N	314.345	1.693	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cc(O)nc2ccc(F)cc12	294649675	MWGRRMVPRLLMJQ-LBPRGKRZSA-N	319.292	1.020	50	20	DDGD	
O=C(NC[C@H]1CCCO1)NNC(=O)Nc1cccc(Cl)c1	297380086	MWGRJMKXNFAFKH-LLVKDONJSA-N	312.757	1.855	50	20	DDGD	
CC1(C)[C@H]2CC[C@@]1(C(=O)NNc1ccc(Cl)nn1)C(=O)C2	295827137	MFMTUDBHFXEBBY-RTHLEPHNSA-N	308.769	1.969	50	20	DDGD	
Cc1ccoc1CNC(=O)NNC(=O)Cc1ccccc1F	813841502	OEQFBKWXXZOTOK-UHFFFAOYSA-N	305.309	1.800	50	20	DDGD	
CC(=NNC(=O)CCOc1ccccc1)c1cc(CO)on1	812226385	CMZUQVXWPFVREK-UHFFFAOYSA-N	303.318	1.476	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@H]1CCc2nncn2C1	816528234	SPNZFYJOJFRXFR-QMMMGPOBSA-N	320.284	1.031	50	20	DDGD	
O=C(NNc1cccc2cnccc12)[C@H]1CCc2nncn2C1	815855939	OAXBSRRFAOOSMV-LBPRGKRZSA-N	308.345	1.532	50	20	DDGD	
Cc1nnsc1C=NNC(=O)[C@@H](C)CN1CCC(C)CC1	814216263	FACLAGSALJCEMG-NSHDSACASA-N	309.439	1.665	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1ccc(Cl)cc1F)c1ccccc1	813362267	NHCAMSPHNOVIEW-ZDUSSCGKSA-N	322.723	1.974	50	20	DDGD	
CC(C)(C(=O)NNc1ncncc1F)c1ccc([N+](=O)[O-])cc1	817083852	VNSNZAGPRHQYHL-UHFFFAOYSA-N	319.296	1.945	50	20	DDGD	
COc1cnc(C(=O)NNC(=O)CCCc2ccccc2)nc1	815331396	HHTYKNGGVAJBRK-UHFFFAOYSA-N	314.345	1.269	50	20	DDGD	
CN(NC(=O)C1=NN(Cc2ccccc2)C(=O)CC1)C1CC1	819647557	OZAREPFJPFVYDM-UHFFFAOYSA-N	300.362	1.290	50	20	DDGD	
C[C@@]1(C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1(F)F	817245378	GLCKOHSBHCJYLY-ZDUSSCGKSA-N	312.272	1.036	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	813421467	UQVFMLWWIWBKIK-UHFFFAOYSA-N	307.093	1.475	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1scnc1Cl	728077448	VNKITUUEHRGOHD-UHFFFAOYSA-N	322.737	1.998	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cc2ccccn2c1	826446940	GIPIWBNLRKDXRR-UHFFFAOYSA-N	319.328	1.876	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1nccnc1Sc1ccccc1	823935011	MGYXWWXKZZVABM-LLVKDONJSA-N	318.402	1.585	50	20	DDGD	
Cc1nn(C)cc1CC(=O)NNC(=O)CCCc1ccccc1	823050764	JYAZUIGVZVHOPZ-UHFFFAOYSA-N	314.389	1.441	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cc(F)cc(N2CCOCC2)c1	824404550	REEXSODSHJCSMD-UHFFFAOYSA-N	324.356	1.015	50	20	DDGD	
CC(C)(C)OC(=O)Nc1ccc(NC(=O)NNC(=O)CO)cc1	495194509	ZTMKQYBOCKERFV-UHFFFAOYSA-N	324.337	1.179	50	20	DDGD	
COc1ccc(NC(=O)NN(C)C2CC2)cc1-n1nnnc1C	824156855	WPSVOOAELNGLGQ-UHFFFAOYSA-N	317.353	1.110	50	20	DDGD	
CC[C@H](Nc1ccccc1)C(=O)NNc1nccc(OC)n1	729262389	QAFHSZYSNPSJSF-LBPRGKRZSA-N	301.350	1.819	50	20	DDGD	
C[C@@H](NC(=O)C(C)(C)C)C(=O)NN(C)C(=O)OC(C)(C)C	496425769	SMWLGUPPHDXSQB-SECBINFHSA-N	301.387	1.435	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1	494364302	NJDZHJCHZGDPJL-UHFFFAOYSA-N	320.349	1.705	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCc2ccccc2C1(C)C	828625183	ZZVDJWDENUEFTE-UHFFFAOYSA-N	303.406	1.583	50	20	DDGD	
COc1ccc(CN(C)C(=O)/C(C#N)=C/c2cnn(C)c2)cn1	827530688	LENATXSQMDKSDR-MKMNVTDBSA-N	311.345	1.389	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1CCCC1=NNC(=O)c1ccnnc1	496550563	MWBMGHGJNJVKHF-NSHDSACASA-N	319.365	1.640	50	20	DDGD	
CC1=NO[C@](C)(C(=O)NNC(=O)Cn2ccc3ccccc32)C1	903160772	NQSPBNKMAKINAW-INIZCTEOSA-N	314.345	1.344	50	20	DDGD	
CCOCCOCCCC(=O)NNC(=O)c1cccc(C#N)c1	826089629	LWXZVSKONMQSGC-UHFFFAOYSA-N	319.361	1.153	50	20	DDGD	
C[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H](c2ccco2)C1	584954211	JMNUZKMCTUAAHQ-WFASDCNBSA-N	313.162	1.573	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccc(N(C)C)c1)c1cnccn1	905302543	JBGLNSFIGGNTKG-NSHDSACASA-N	313.361	1.107	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CSc1nccn1C(C)(C)C	823965928	VNVLYEZWNRZHOV-JTQLQIEISA-N	300.428	1.074	50	20	DDGD	
CCc1noc(NC(=O)NNc2cccc(C(=O)OC)c2C)n1	823565140	MOCKMSZHYLKGFM-UHFFFAOYSA-N	319.321	1.876	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1ccc(C(=O)O)s1	739309611	UWSXZOYJQKZEJU-UHFFFAOYSA-N	319.342	1.319	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C/c1cc(-c2nn[nH]n2)cs1	820092528	NECUDLVZVHGVQY-YCRREMRBSA-N	302.363	1.607	50	20	DDGD	
OB(O)c1ccc(CNc2cc(F)ccc2OCC2CC2)cc1	585038124	TWAGAUIYLAAEIT-UHFFFAOYSA-N	315.153	1.906	50	20	DDGD	
OB(O)c1cccc(CNCCCc2ccc(Cl)s2)c1	585036538	HZKMJBDVNKAULP-UHFFFAOYSA-N	309.627	1.804	50	20	DDGD	
CCOc1ccc(C(C)=NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1	730576693	UTMHNXCVXZPRRO-CYBMUJFWSA-N	324.402	1.360	50	20	DDGD	
C[C@](C#N)(NC(=O)c1ccc(B(O)O)c(F)c1)C1CCCCC1	584947078	FWVGBUBEBHBRFW-MRXNPFEDSA-N	318.157	1.098	50	20	DDGD	
CCN(CCO)NC(=O)c1c(-c2ccc(F)cc2)noc1C	823847234	SPGCRFTXAZSGHP-UHFFFAOYSA-N	307.325	1.748	50	20	DDGD	
COCCOc1ccc(NCc2ccccc2B(O)O)cc1F	585012127	NJIPZBDDGMNVSE-UHFFFAOYSA-N	319.141	1.143	50	20	DDGD	
CN(C)C(=O)Nc1cccc(C(=O)NNC(=O)NCC2CC2)c1	739706597	NTUJLOOKGDESBX-UHFFFAOYSA-N	319.365	1.134	50	20	DDGD	
CC(C)N(C)c1ccc(C=NNC(=O)[C@@H]2CCCCO2)cn1	834985139	GIHKVLXHTMIZKE-AWEZNQCLSA-N	304.394	1.945	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1cnc(C2CC2)s1	494434390	KQISUYIGOSGEBF-UHFFFAOYSA-N	324.406	1.995	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CNC(=O)c1cccs1)C1CCC1	837383525	FSCWOUXWUXBWBF-VIFPVBQESA-N	309.391	1.062	50	20	DDGD	
Cc1nc(-c2ccco2)ccc1C(=O)N1CC[C@@H](B(O)O)C1	585069931	RWZMVYIAXXCMPD-LLVKDONJSA-N	300.123	1.339	50	20	DDGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)O)CC1	833062007	IPGNJIGONLFQHY-PQMHYQBVSA-N	302.290	1.755	50	20	DDGD	
Cc1cn(C)nc1C(=O)NNC(=O)CCCc1ccccc1	839641371	SJOPFKSRRICTFC-UHFFFAOYSA-N	300.362	1.512	50	20	DDGD	
CN1CCC(C(=O)NNc2cccc(Br)n2)CC1	837210245	IDLWUYHVRTXBJR-UHFFFAOYSA-N	313.199	1.629	50	20	DDGD	
Cc1nnc(CCNC(=O)[C@@]2(C)C[C@@H]2Br)s1	908254991	SIJJNCVLQDYJTR-XVKPBYJWSA-N	304.213	1.679	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc2ccn(C)c2c1	831495749	DGQVVGXSODETJJ-ZWNOBZJWSA-N	316.361	1.756	50	20	DDGD	
CC[C@H](O)[C@H](C)C(=O)NNc1nc2ccccc2c(=O)n1CC	900092734	PDJPXVMKJSPEHQ-GWCFXTLKSA-N	318.377	1.267	50	20	DDGD	
C=CCNC(=S)NNC(=O)C[C@@H]1CCc2ccccc2C1	732576881	ADHRVXNGPDYCGH-GFCCVEGCSA-N	303.431	1.863	50	20	DDGD	
Cc1nnc2ccc(C(=O)NNc3ccc(Cl)nn3)cn12	735687121	REZBFOBPRRZHEP-UHFFFAOYSA-N	303.713	1.238	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2cnc3n2CCOC3)cc1	905425135	OXQDCFAXJUZGNN-UHFFFAOYSA-N	314.345	1.251	50	20	DDGD	
Cc1nnc([C@H](C)NC(=O)NNc2ncc(F)cc2F)s1	838550963	BTOMUCQAPDAFTG-YFKPBYRVSA-N	314.321	1.907	50	20	DDGD	
CCn1ccnc1[C@H](C)NC(=O)NNc1ncc(F)cc1F	838689351	RZDCGWDUSRSZDQ-QMMMGPOBSA-N	310.308	1.964	50	20	DDGD	
CC(C)(C)O[C@H]1C[C@H](NCc2ccc(B(O)O)o2)C12CCC2	585050277	VVROEZCICSOFOJ-STQMWFEESA-N	307.199	1.175	50	20	DDGD	
CC(C)c1ccc(NNC(=O)[C@@H]2CN3CCCN2CC3)cc1	837052897	MVNWLWSQRDTRPR-INIZCTEOSA-N	302.422	1.643	50	20	DDGD	
C=CCCOCC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	733108442	IQGWADRENRIXJP-UHFFFAOYSA-N	314.345	1.226	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc2nsnc2c1	833242711	NDRVMSDGYSLCEV-NSHDSACASA-N	306.347	1.021	50	20	DDGD	
COc1ccccc1-n1ncc(C(=O)NN(C)C[C@H](C)O)c1C	910150187	PAWIHWYYPBNMSG-NSHDSACASA-N	318.377	1.147	50	20	DDGD	
O=C(NNC(=O)c1ccc2ccccc2c1)NC1CCOCC1	918779913	IEEYPHAGEHWIMF-UHFFFAOYSA-N	313.357	1.963	50	20	DDGD	
C=CCOc1ccc(C(=O)NNC(=O)CC(F)(F)F)cc1	918366422	NUHDYNRFJWTWGP-UHFFFAOYSA-N	302.252	1.965	50	20	DDGD	
COc1ccc(NC(=O)NN=C(C)CCC(=O)N(C)OC)cc1	834983365	ODXNJYMOUBIPEB-UHFFFAOYSA-N	322.365	1.993	50	20	DDGD	
CCC(=NNC(=O)c1cnccn1)c1ccc2c(c1)OCCO2	917545768	HRTIQWHDYMTBNO-UHFFFAOYSA-N	312.329	1.792	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(Cl)c2c(c1)OCCCO2	910178566	ZQRQUNMTIWTVHL-VIFPVBQESA-N	314.769	1.459	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)COc2ccc(OC)cc2)n1	834922969	RUFVKKKGFHPNLX-UHFFFAOYSA-N	317.349	1.144	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F	843650867	IAZUZJLQYSBBKB-MVVXRAEJSA-N	324.327	1.641	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1CCC[C@@H](SCC)C1	748969117	YKNANNDUNCVCLO-WDEREUQCSA-N	303.428	1.418	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCC2=CCCOC2)cc1	845199138	SBNYHFWYEMTDRG-UHFFFAOYSA-N	319.361	1.375	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1Cl)N[C@H]1CCNC1	841940211	ZVXAWLZKMXNANS-QMMMGPOBSA-N	317.176	1.299	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	843649435	VHSDQWGDAYJPOJ-BZPMIXESSA-N	306.362	1.335	50	20	DDGD	
Cc1cc2ccc(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)cn2c1	843970221	CFFLOGBRHZVOGC-SMDDNHRTSA-N	301.346	1.434	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	916111189	BDBZLXOJLUGEPV-UMVBOHGHSA-N	320.389	1.643	50	20	DDGD	
O=C(CCOc1cccc(F)c1)NNC(=O)CC(F)(F)F	918703597	DACZOHGWKYAXBZ-UHFFFAOYSA-N	308.231	1.694	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H](CN)CC(C)C)cc1	841955131	YZEZAXLIXCXOET-CQSZACIVSA-N	306.410	1.566	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cccc(OC(F)F)c1)[C@@H](C)O	842232932	WQYGQZMICIKJGE-KCJUWKMLSA-N	316.304	1.456	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cc(N2CCOC2=O)ccc1F	741666126	ZLWCAZZNHIBRRL-UHFFFAOYSA-N	323.324	1.589	50	20	DDGD	
C[C@@]1(C(=O)N2CCN(CCC#N)CC2)C[C@@H]1Br	913761323	HIXWAZROEIJJTH-CMPLNLGQSA-N	300.200	1.218	50	20	DDGD	
COc1cc(OC)c(C=NNC(=O)[C@@H]2CCO[C@H]2C)c(OC)c1	842560032	WNIJLUCLHDEKPH-CMPLNLGQSA-N	322.361	1.588	50	20	DDGD	
CCN[C@H](C)CNC(=O)NNc1ccc(C(=O)OC)cc1F	841984607	DPOGQLUDETVBHN-SECBINFHSA-N	312.345	1.236	50	20	DDGD	
CC(C)[C@@H](C(=O)O)C(=O)NNc1nc(-c2ccccc2)no1	844249297	LQXHKTYRXFCMLH-SNVBAGLBSA-N	304.306	1.537	50	20	DDGD	
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NNC(=O)C(C)C)cc1	742478100	XUOMUAGERNXJKU-AWEZNQCLSA-N	317.389	1.289	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)[C@H]1CCO[C@@H]1C)CCO2	842559271	UJCBFPGMGOWTAD-PWSUYJOCSA-N	304.346	1.723	50	20	DDGD	
Cc1ccc(C)c(S(=O)(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	842587107	WCVZJIBGCINSOL-NWDGAFQWSA-N	312.391	1.038	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc2cccc(F)c2o1	843651999	GWDZXSQCOHGDKE-WCBMZHEXSA-N	306.293	1.758	50	20	DDGD	
CN(NC(=O)Nc1scnc1C1CC1)C(=O)N1CCNCC1	841165268	TUFAFITUNOMGPR-UHFFFAOYSA-N	324.410	1.014	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc([N+](=O)[O-])c(O)c2)n1	746693569	DDFXEHRVRGJMNQ-UHFFFAOYSA-N	319.277	1.164	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)nn1[C@@H](C)C1CC1	843662352	QSWPOCXPZIAPPH-GMXVVIOVSA-N	320.393	1.349	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1F	843644636	PIOZDRQQYMUGBM-PWSUYJOCSA-N	324.352	1.339	50	20	DDGD	
COCC1(CC(=O)NNc2ccc(CC(=O)OC)cc2)CC1	846376847	HWHWOPABATUYKG-UHFFFAOYSA-N	306.362	1.662	50	20	DDGD	
CCc1nncn1CCNC(=O)NNc1cc(F)ccc1F	920857756	VFGRBABCCYKJBV-UHFFFAOYSA-N	310.308	1.445	50	20	DDGD	
Cc1ncc2n1C[C@@H](C(=O)NNc1ccc([N+](=O)[O-])cc1)CC2	845855767	PQBUNVGHLSPSPN-NSHDSACASA-N	315.333	1.805	50	20	DDGD	
CCc1ncc(C=NNC(=O)c2cc(OC)cc(OC)c2)cn1	841610022	HUJPTDXFGMLQNN-UHFFFAOYSA-N	314.345	1.820	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(N(C)C)c(C(F)(F)F)c1	841767680	YLBMPKSCSSFPMV-UHFFFAOYSA-N	304.272	1.944	50	20	DDGD	
CCOc1cccc(NC(=O)NNC(=O)c2cnccn2)c1	756088617	QBGWNMLTNDBSEI-UHFFFAOYSA-N	301.306	1.342	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CCCCC1	858334717	QWECMHULQLBHEL-LBPRGKRZSA-N	324.425	1.202	50	20	DDGD	
OCCN(CCI)CCc1ccccc1	759358539	AUGXJNZHCHPPRT-UHFFFAOYSA-N	319.186	1.958	50	20	DDGD	
COCCCS(=O)(=O)NC[C@]1(C)C[C@H]1Br	856755312	UKNNAJYRHDCVQK-BDAKNGLRSA-N	300.218	1.116	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccc3nnnn3c2)C[C@@H]1Br	857689389	KTYPHAWJCQWUOP-KWQFWETISA-N	310.155	1.028	50	20	DDGD	
O=C(NN=Cc1csc(-c2ccsc2)n1)C(=O)NC1CC1	920373093	QKWJWHKGLXKQRD-UHFFFAOYSA-N	320.399	1.600	50	20	DDGD	
CCCOc1cc(F)ccc1NC(=O)NNC(=O)COCC	757680996	VPTUSOSXLLOWBR-UHFFFAOYSA-N	313.329	1.804	50	20	DDGD	
CC1(C)CN(C(=O)NC[C@]2(C)C[C@@H]2Br)CCO1	856899938	HSEMJZMJSNYBEE-CABZTGNLSA-N	305.216	1.980	50	20	DDGD	
N#Cc1ccc(NNC(=O)CN2CSCCSC2)nc1	924810073	DNQAUCSSPAKLKW-UHFFFAOYSA-N	309.420	1.093	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@H]2CCCCN(C)C2)nc1	858765384	AQWFHNADLIVDBP-GFCCVEGCSA-N	307.398	1.448	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNc1ncc(Cl)cn1	857357422	RHJAIPSAKMIHFI-UHFFFAOYSA-N	300.746	1.553	50	20	DDGD	
CCC1(CC)[C@H](NCC(=O)NNC(=O)C(C)(C)C)C[C@H]1OC	759598389	ALDRKXSRBTYEDY-VXGBXAGGSA-N	313.442	1.363	50	20	DDGD	
Cc1cc(=NC(=O)NNC(=O)Cc2ccc(F)cc2)c(C)c[nH]1	757811000	RJLJOEPMGPXANH-UHFFFAOYSA-N	316.336	1.655	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cccc(Cl)n1	854280754	BDMXRUBDHIWZSE-UHFFFAOYSA-N	316.814	1.223	50	20	DDGD	
C[C@@H]1C(=O)CCCN1C(=O)NC[C@@]1(C)C[C@@H]1Br	923374396	SWISSOUJXRSVDI-UBHAPETDSA-N	303.200	1.923	50	20	DDGD	
COC(=O)[C@@H]1[C@@H](O)CCCN1C[C@@H](CBr)C1CC1	859269165	KGXACNJVDPCIEY-WOPDTQHZSA-N	320.227	1.406	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)CCCc1ccccn1	854280882	HNHBCPFYPMUBCW-UHFFFAOYSA-N	324.450	1.278	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccccc2F)nnc1C	756583751	QSRFFJUPQOEMMV-UHFFFAOYSA-N	303.297	1.699	50	20	DDGD	
CCc1nocc1C(=O)NNC(=O)COc1cccc(C)c1	854188568	DXUUUWDYEKGFLC-UHFFFAOYSA-N	303.318	1.385	50	20	DDGD	
CC(C)NC(=O)CNC(=S)NC[C@]1(C)C[C@H]1Br	857204660	VIYAYWSUQZEUFY-KCJUWKMLSA-N	322.272	1.149	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1nc2c(s1)COCC2	756627921	IZWXLOIOLCAABZ-UHFFFAOYSA-N	319.346	1.077	50	20	DDGD	
CC(C)CC1(NCC(=O)NNC(=O)c2cccc(C#N)c2)CC1	852683459	XILGLNDDICWCAB-UHFFFAOYSA-N	314.389	1.488	50	20	DDGD	
CS[C@@H](C)CNC(=O)NNC(=O)c1cc2c(s1)CCC2	752225550	RKKWXUGVMNDGRH-QMMMGPOBSA-N	313.448	1.932	50	20	DDGD	
COC(=O)N1CCC(NC(=O)NNc2ccc(C)c(F)c2)CC1	853481189	LYJBWOPLDMLGLF-UHFFFAOYSA-N	324.356	1.991	50	20	DDGD	
COCC(COC)NC(=O)NNc1ccc([N+](=O)[O-])cc1F	854114124	XYYCRPASEWQVOV-UHFFFAOYSA-N	316.289	1.021	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H](C)c2csnn2)c1	858542026	HGCGNUPPCNRYJK-SSDOTTSWSA-N	311.392	1.613	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)C(=O)Nc1c(C)nn(C)c1C	850586176	NAWBRLRHRXUBIJ-UHFFFAOYSA-N	319.340	1.566	50	20	DDGD	
Cn1cc(C(=O)NNC(=S)NCC2CCC2)c(C2CCC2)n1	855092666	MVONBQICWJFWAO-UHFFFAOYSA-N	321.450	1.597	50	20	DDGD	
O=C(NN=Cc1cnc(-c2cccs2)s1)C(=O)NC1CC1	751519922	CEKUZWCTTVIPNG-UHFFFAOYSA-N	320.399	1.600	50	20	DDGD	
CO[C@H]1CCN(C(=O)NNC(=O)c2cc(C)cs2)C[C@H]1C	858706890	CTUSSIIEYLXAGI-MNOVXSKESA-N	311.407	1.768	50	20	DDGD	
CCC1(C(=O)NNC(=O)Cc2cccc3ccccc23)COC1	755093055	AZLKAFWJKDEOFI-UHFFFAOYSA-N	312.369	1.956	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC([C@@H]2CCNC2)CC1	866763901	JKXHPGLOBYJXCY-CYBMUJFWSA-N	322.902	1.903	50	20	DDGD	
O=CN1CCC[C@@H]1C(=O)NNc1nc2ccccc2[nH]c1=S	862295108	YOANWFFXJSIIRR-LLVKDONJSA-N	317.374	1.356	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc(S(C)(=O)=O)s1)C(F)(F)F	862322055	DMWUJJJJDJMFGS-RXMQYKEDSA-N	316.326	1.337	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@](C)(C2CC2)C(F)(F)F)n1	933581864	OECDHRHMCRCMQM-LLVKDONJSA-N	319.287	1.842	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1cc2c(s1)CCCC2	863147600	JRAGPSLBQOJUDI-NSHDSACASA-N	305.403	1.746	50	20	DDGD	
CCOCn1nc(C)c(CC(=O)NNc2cccc(F)n2)c1C	868311424	SWGSPXUMMWEDGK-UHFFFAOYSA-N	321.356	1.714	50	20	DDGD	
Cn1c(Cl)cnc1CNS(=O)(=O)CC(C)(C)CCl	866719164	PMXCUUIUYVMDGL-UHFFFAOYSA-N	314.238	1.758	50	20	DDGD	
Cc1ccc2c(c1)OCCCC2=NNC(=O)C(=O)NC1CC1	763153488	PEJJDGNESQBUOV-UHFFFAOYSA-N	301.346	1.267	50	20	DDGD	
CCn1ccc(CC(=O)N(C)NC(=O)OCc2ccccc2)n1	862289826	YAEHLDVDUUSTTP-UHFFFAOYSA-N	316.361	1.745	50	20	DDGD	
O=C(NNC(=O)[C@H](F)C(F)(F)F)c1cccc([N+](=O)[O-])c1	763877420	ZNHNSBCLDCWPTM-ZETCQYMHSA-N	309.175	1.256	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cc(Cl)cc(F)c1O	768368083	WVMSQTGUNJMOJJ-QMMMGPOBSA-N	318.732	1.686	50	20	DDGD	
COC(=O)Cc1sccc1C(=O)NN[C@@H](C)C(F)(F)F	869376844	LSCCZOIGCZZYAI-LURJTMIESA-N	310.297	1.649	50	20	DDGD	
C#CCNC(=O)COC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	869465178	WSGWMDKFXMEEEW-OUJBWJOFSA-N	314.179	1.233	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CCCc2scnc21	863095906	YYYNADTZZNWYLK-UHFFFAOYSA-N	308.407	1.605	50	20	DDGD	
O=C(Nc1ccc(NCc2cccc(B(O)O)c2)cc1)C1CC1	864019792	RQHGQTYSNYRDSZ-UHFFFAOYSA-N	310.162	1.327	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1CCC(=O)[C@@H](C)C1	763997137	JXJBFFGQRYURML-WCQYABFASA-N	318.373	1.390	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1cnccc1C(F)(F)F	875757785	UABUOXYEJPRXRA-UHFFFAOYSA-N	306.244	1.513	50	20	DDGD	
COc1cc(C(=O)NN=CC[C@@H]2CCOC2)cc(OC)c1OC	765549265	UHHPWSSUUMJDFS-LLVKDONJSA-N	322.361	1.855	50	20	DDGD	
CCNC(=O)CCC(=O)NNC(=S)Nc1cccc(C)c1	873774655	RECHKPIMIASWFC-UHFFFAOYSA-N	308.407	1.229	50	20	DDGD	
O=C1COc2c(cccc2NC(=O)NCC(Cl)Cl)N1	879598706	CCBCCANXDASUTL-UHFFFAOYSA-N	304.133	1.943	50	20	DDGD	
C[C@@]1(CNc2cc(C(N)=O)nc(Cl)n2)C[C@@H]1Br	872612963	SNRPCDVXPMFKHT-WKEGUHRASA-N	319.590	1.814	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1cnn(-c2ccccn2)c1	775635675	HCSGDABUBCQIFV-UHFFFAOYSA-N	314.284	1.345	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1csc([C@@H](C)OC)n1	875357056	IMSHBBZXQJLFSX-SSDOTTSWSA-N	302.356	1.263	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2cccc3c[nH]nc23)cc1	1116119894	OVRQUUITZBKFFU-UHFFFAOYSA-N	321.340	1.960	50	20	DDGD	
COc1ccnc(NNC(=O)NCCc2sccc2C)n1	774302279	IHTGGKSAYLYEEC-UHFFFAOYSA-N	307.379	1.724	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C1(CN(C)C)CC1)c1ccccc1	874454733	KXFDQOAOPOHVIN-AWEZNQCLSA-N	303.406	1.669	50	20	DDGD	
Cn1nc2ccccc2c1C(=O)NNc1ncncc1Cl	1116694689	JZKOCQPZVKOHKK-UHFFFAOYSA-N	302.725	1.774	50	20	DDGD	
CCCCn1cc(CNC(=O)NNC(=O)C2CCC2)c(C)n1	773717316	NLIWYCPBBNMQPX-UHFFFAOYSA-N	307.398	1.622	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cn(C)nc1-c1ccoc1	887148110	ODFVUEQFOBVVIO-UHFFFAOYSA-N	300.318	1.245	50	20	DDGD	
Cn1nnc2c1C[C@H](C(=O)NNc1ccc(F)cc1Cl)CC2	885136681	DXXRWBPBPOGENS-MRVPVSSYSA-N	323.759	1.856	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(N)cc1Cl	772042222	MLKBOMAYBLZWRS-ZETCQYMHSA-N	313.741	1.025	50	20	DDGD	
CCC[C@H](C)[C@@H]1CCCN1C(=O)NNC(=O)c1cccnn1	883850723	CYFXBPXGCBPWIV-AAEUAGOBSA-N	305.382	1.732	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1ccc(CCCl)cc1	782478243	LIZCIGZEJLPNQC-UHFFFAOYSA-N	319.814	1.323	50	20	DDGD	
C[C@@H](OC(=O)/C(C#N)=C\c1ccccc1)C(=O)N1CCNC1=O	785345457	PNQWEOUKCLJNHP-NASPGAHYSA-N	313.313	1.077	50	20	DDGD	
O=C1Nc2cccc(Br)c2C1=NNC(=O)C(F)F	782235420	CTDPRGKRERNTFZ-UHFFFAOYSA-N	318.077	1.487	50	20	DDGD	
C[C@@H](C(=O)NNc1c(F)cc(F)cc1F)[C@@H](C)S(C)(=O)=O	885151475	FETOZWXORJUMNO-RNFRBKRXSA-N	324.324	1.616	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)c1cnns1	787434175	QVWIDCYGQOILLR-UHFFFAOYSA-N	311.754	1.336	50	20	DDGD	
COc1ccc(Cl)cc1S(=O)(=O)NNC(=O)C1CCC1	782461941	GQLZLTLJZJIMIT-UHFFFAOYSA-N	318.782	1.458	50	20	DDGD	
Cn1ccc(CC(=O)NNC(=O)c2cccc3ccccc23)n1	782307505	DRVQTRBMUHSQMR-UHFFFAOYSA-N	308.341	1.577	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccc(O[C@@H]2CCOC2)cc1	788739493	VIQNWMIQQUKMNT-OAHLLOKOSA-N	318.373	1.806	50	20	DDGD	
Cc1nc(C(=O)NNc2ccnc(F)c2)nn1-c1ccccc1	781363391	AOEDYZLFNFAPME-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)Nc1nnc(CC(F)(F)F)s1	782056008	HHQDIFLCZQSHNY-UHFFFAOYSA-N	318.284	1.608	50	20	DDGD	
C[C@H]1Oc2ccc(NC(=O)NN=c3cc[nH]cc3)cc2NC1=O	782014912	KOOJKMVTCCVMPF-SECBINFHSA-N	313.317	1.372	50	20	DDGD	
CCCCS(=O)(=O)CC(=O)NNc1nc2ccccc2n1C	899094975	BPCUIMMIIOTYFT-UHFFFAOYSA-N	324.406	1.231	50	20	DDGD	
Cc1nc2ccnn2c(C)c1C(=O)NNC(=S)NC(C)(C)C	899996864	WNCWDSJFOLVUPF-UHFFFAOYSA-N	320.422	1.254	50	20	DDGD	
COc1cc(C)c(S(=O)(=O)NNC(=O)C(C)C)cc1Cl	788478649	SDQYBMHOJVRFNR-UHFFFAOYSA-N	320.798	1.623	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@H]1Cc2ccccc2CN1	892814432	OWRYAISWEYNCNM-CYBMUJFWSA-N	304.394	1.077	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccnc(C2CC2)c1	783045281	LPZHFUWITVUPNX-UHFFFAOYSA-N	304.419	1.868	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@H]1OCCc2ccccc21	899996908	YBKQHDVZGAKIDA-GFCCVEGCSA-N	307.419	1.594	50	20	DDGD	
Cc1cc(C(=O)NN=c2cc[nH]cc2)ccc1N1CCNC1=O	780757596	TZOXQJYOTKJTER-UHFFFAOYSA-N	311.345	1.098	50	20	DDGD	
CO[C@H](C)CCC(=O)NNC(=O)Cc1c[nH]c2ccccc12	782550060	XZSDEYZKVZCUOT-LLVKDONJSA-N	303.362	1.673	50	20	DDGD	
CC(=NNC(=O)c1ccc(O)c(O)c1)C(C)(C)n1cncn1	794556369	XRSLFPAUMVYOQH-UHFFFAOYSA-N	303.322	1.230	50	20	DDGD	
COc1cncc(C(=O)NNC(=O)c2cc3c(s2)CCC3)n1	790116836	SASRPRLNJGPXMX-UHFFFAOYSA-N	318.358	1.110	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	795100121	GVZYHYBUZMLUAW-MRXNPFEDSA-N	316.361	1.448	50	20	DDGD	
CCn1nc(/C=C(/C#N)S(=O)(=O)N(C)C)c2ccccc21	794958912	WDQOCBJPOWDIJO-LUAWRHEFSA-N	304.375	1.812	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1Cc2ccccc2O[C@@H](C)C1	795431319	NVASVJSHDYCRDQ-NWDGAFQWSA-N	305.378	1.215	50	20	DDGD	
COCc1cc(C=NNC(=O)[C@H](C)CN2CCCCC2)no1	794878684	IARQPPJPNPFXPD-GFCCVEGCSA-N	308.382	1.393	50	20	DDGD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)CCc1ccccc1	793329066	QTDWBSWYQIWOGS-OCCSQVGLSA-N	302.374	1.772	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(C(N)=S)cc2)nc1	798342823	OXYXICLZFVMAMZ-UHFFFAOYSA-N	302.359	1.481	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C1C(=O)OC[C@@H]1C	794864372	MRFLSRFWBOGKJZ-JTQLQIEISA-N	306.318	1.129	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2cn(C)cn2)n1	794463745	BKKBOJROHZPJPV-UHFFFAOYSA-N	304.379	1.069	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCO2)NNc1nc2ccccn2n1	791256297	MZNSIOQIIILPPL-UHFFFAOYSA-N	309.329	1.350	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cccc(-n3cccn3)c2)n1	794087277	ZUAOJIGNXUDIIU-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
C[C@@H](Oc1ccc(C=O)cc1)C(=O)NNC(=O)C1CCCC1	795185059	LBAGDNCVROTXJU-LLVKDONJSA-N	304.346	1.604	50	20	DDGD	
COc1cncc(C(=O)NNC(=O)c2ccc3ccccc3c2)n1	790359765	VCBVWEGGUUMVAN-UHFFFAOYSA-N	322.324	1.713	50	20	DDGD	
O=C(NN=Cc1ccc(O)c([N+](=O)[O-])c1)c1ccc(O)c(O)c1	794557023	NWCAXSUHDOFNHE-UHFFFAOYSA-N	317.257	1.476	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)Cn1cc([C@@H](C)O)nn1	799755722	IVMXGGGZTKTZHN-LLVKDONJSA-N	303.366	1.346	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1c(F)ccc(O)c1F	794488459	HXUZFSGCJNETHN-UHFFFAOYSA-N	312.301	1.781	50	20	DDGD	
COc1cc(NNC(=O)CN2CCN(C)CC2)ccc1Cl	790186781	IZTZSNKNFCOHNO-UHFFFAOYSA-N	312.801	1.039	50	20	DDGD	
C[C@@H](Oc1ccc(C=NNC(=O)c2cccn2C)cc1)C(=O)O	794887815	DRIHDMYUXFVEOW-LLVKDONJSA-N	315.329	1.641	50	20	DDGD	
O=C(CNc1ccccc1)NN=Cc1cc(C(F)(F)F)n[nH]1	799467758	WJJWNKFJJIQDTE-UHFFFAOYSA-N	311.267	1.991	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccc(OCC2CC2)nc1	1318251058	UPVIRNRCCUSFBP-UHFFFAOYSA-N	303.362	1.822	50	20	DDGD	
CC(C)C(=O)NN=Cc1c(Br)cc(C(=O)O)n1C	1318554867	JEUNJGBUSZJHDP-UHFFFAOYSA-N	316.155	1.592	50	20	DDGD	
O=S(=O)(CBr)N[C@@H]1COc2ccccc2C1	272866515	YPKVNQNASYLRDM-VIFPVBQESA-N	306.181	1.262	50	20	DDGD	
CCOc1cccc(CCC(=O)NNC(=S)NC(C)C)c1	1328689329	OFUJSBYQMSNJLJ-UHFFFAOYSA-N	309.435	1.922	50	20	DDGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1cnn2ccncc12	1324825320	JCOCJDYJINSILF-UHFFFAOYSA-N	322.250	1.900	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCCCCC(=O)C2)cc1	1327650111	NHYYBOPQUZELER-CYBMUJFWSA-N	318.373	1.996	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2ncccn2)cc1Cl	1320398504	IZXMZIYJDCPFRC-UHFFFAOYSA-N	316.708	1.083	50	20	DDGD	
CN[C@H](C)CCNC(=O)NNC(=O)COc1cc(C)ccc1C	1328726637	VYZDQIVQXGEPHJ-CYBMUJFWSA-N	322.409	1.011	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2ccc(OC)cc2)nn1C	1323643377	YJVJMUVOCBKLMO-UHFFFAOYSA-N	302.334	1.066	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@H]2C[C@@H](C(=O)OC)C2)cc1	1336534314	AYVGCVHNIBISHU-TXEJJXNPSA-N	320.345	1.044	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C1COC[C@@H]1C	1330876858	OKZAWPXVEHTAAA-QWRGUYRKSA-N	309.366	1.042	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)NOC/C=C/Cl	1343636420	WKZOICPJMKSDHJ-ZZXKWVIFSA-N	304.133	1.968	50	20	DDGD	
CSCC1CCN(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CC1	1340266534	TWSXWDLZZFGWBI-PWSUYJOCSA-N	315.439	1.227	50	20	DDGD	
COc1cc(OC)c(C=NNC(=O)C2CCOCC2)cc1F	1262038213	BHZCKOOHCZRDIR-UHFFFAOYSA-N	310.325	1.720	50	20	DDGD	
C[C@H](CC(F)(F)F)NC(=O)NNc1nncc(N)c1Cl	1342672377	ANEOQTNBGWGXAH-SCSAIBSYSA-N	312.683	1.679	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)C1(Oc2ccccc2)CC1)C1CC1	1351044207	KOQUMNZQDPPGRF-LLVKDONJSA-N	319.430	1.892	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ncc(Cl)cc1Cl	1353726307	KEYRLOUXDGDUGP-SVRRBLITSA-N	318.160	1.574	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCc1ccsc1	1519760468	AZIGIQOJOGCBTJ-PWSUYJOCSA-N	311.407	1.436	50	20	DDGD	
O=C(NNC(=O)C(=O)O)N[C@@H]1CCC[C@@H](c2ccccc2)CC1	1601552742	GQNFZHUBJRDSQI-CHWSQXEVSA-N	319.361	1.518	50	20	DDGD	
O=C(NCCC[C@@H]1CCCN1)NNc1ccc(C(=O)O)c(F)c1	1601496019	WCTVZPQZLQWHST-JTQLQIEISA-N	324.356	1.682	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@H]1C(=O)O)c1c[nH]c2ccccc12	1605815551	NVAVQLGFWHTNOC-NXEZZACHSA-N	301.302	1.040	50	20	DDGD	
C=C(CCC(=O)O)C(=O)NNC(=O)NCCc1cccs1	1602784348	QFWWMYQYORWLEW-UHFFFAOYSA-N	311.363	1.042	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)c1ccnc(C(=O)O)c1	1601561697	VRFSFJGPUFGRBE-UHFFFAOYSA-N	308.297	1.507	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H]1CCc2cc(-c3nn[nH]n3)ccc21	1609239900	ZTQUTKDFFDQGKW-TZIYXEQSSA-N	324.344	1.414	50	20	DDGD	
N#CCc1ccccc1CC(=O)NNc1ncccc1C(=O)O	1605601217	BMVNABZULDWRDA-UHFFFAOYSA-N	310.313	1.532	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN[C@H](C(=O)O)c1ccc(Cl)cc1	1604833743	FQNNZSRHTIIKPV-AXTRIDKLSA-N	312.753	1.512	50	20	DDGD	
C[C@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cn1)C(F)(F)F	1603449252	YUHXNPVRIOLAKP-ZCFIWIBFSA-N	315.259	1.293	50	20	DDGD	
C=C(CCC(=O)O)C(=O)NN=c1sc2ccccc2n1C	1602784645	ZBCXQQOCZCGTCO-UHFFFAOYSA-N	305.359	1.593	50	20	DDGD	
Cc1nccn1CCNC(=O)NNc1ccc(F)c(C(=O)O)c1	1607989950	YXXHBILQQGIPDS-UHFFFAOYSA-N	321.312	1.355	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(/C=C/C(=O)O)o2)o1	1600341204	SHOQYMAWOHIQQX-QPJJXVBHSA-N	304.258	1.354	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1cc(C(=O)O)ccc1F	1601555236	STVNZBNRIKYRKW-UHFFFAOYSA-N	306.253	1.319	50	20	DDGD	
Cc1ccc(NNC(=O)c2cnn3ncccc23)cc1C(=O)O	1600463677	GDJOIRKILSOFKY-UHFFFAOYSA-N	311.301	1.493	50	20	DDGD	
CN(C)N(C(=O)C[C@H]1C=CCC1)c1nc(CC(=O)O)cs1	1606036830	DGUXTJXVZKMUEL-JTQLQIEISA-N	309.391	1.936	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)c1cccc(-c2nn[nH]n2)n1	1606860899	DZIRHPHBQRTCKZ-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2Cc3ccccc3S2)nc1	1608904172	KROGGFKCPIVGEK-GFCCVEGCSA-N	315.354	1.940	50	20	DDGD	
Cc1cnc(C(=O)NNc2cccc(C(=O)O)c2C)c(O)c1	1600616987	PBCUHIBWRDOHOS-UHFFFAOYSA-N	301.302	1.859	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1cc(C(=O)O)cc([N+](=O)[O-])c1C	1610010870	UNLZJIVOEUIULT-YFHOEESVSA-N	319.273	1.984	50	20	DDGD	
CCCN(NC(=O)[C@H]1C[C@@H](OC)CN1)C(=O)OC(C)(C)C	1573760944	YCZNMLDOPDVKMR-GHMZBOCLSA-N	301.387	1.042	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C[C@H](N)CC(C)C)cc1	1579723737	KFAYRVNSZKROPY-CYBMUJFWSA-N	306.410	1.318	50	20	DDGD	
CC[C@H](C)C[C@@H](N)C(=O)NNC(=O)C(C)(C)c1ccccc1	1576984679	ZRRTUUNRLZMTAR-GXTWGEPZSA-N	305.422	1.875	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@H]1NCC12CCCC2	1578506060	FRPYFPIYLYDVMN-CQSZACIVSA-N	317.389	1.818	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)OCC(F)(F)F)[C@@H]1CCCNC1	1575924971	BTDSIVXSARXYFB-RKDXNWHRSA-N	311.304	1.332	50	20	DDGD	
CC(C)(CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(F)F	1847435655	LSAZQUXWGHRDPJ-IUCAKERBSA-N	308.756	1.718	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)[C@]1(C(=O)O)C[C@H]1c1ccccc1	1591213859	GZDYYDLDKWONGO-GUYCJALGSA-N	318.373	1.829	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCc2cccc(C(=O)O)c2)cn1	1594536903	FZLANDWOIJOTFY-NSIKDUERSA-N	310.313	1.342	50	20	DDGD	
Cc1cc(OC(=O)c2cnc(C(=O)O)cn2)ccc1[N+](=O)[O-]	1594327031	NVVWTAXIWAMNJN-UHFFFAOYSA-N	303.230	1.611	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CC[C@@](C(=O)O)(C(F)(F)F)C1	1596859709	GIXYBJMWCJSKIK-BPOWMSRESA-N	306.240	1.296	50	20	DDGD	
CCc1oc(C=NNC(=O)Cc2nc(C)cs2)cc1C(=O)O	1597793267	YTTDCENHQKJZQR-UHFFFAOYSA-N	321.358	1.998	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cnc(C2CC2)o1	1593165579	RKLKRNRDORBJHN-UHFFFAOYSA-N	311.305	1.489	50	20	DDGD	
O=C(O)/C=C\c1ccc(C=NNC(=O)CNc2ccccc2)o1	1776016255	MRAZVXZZYCAQMG-MVEXYFPCSA-N	313.313	1.940	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2c[nH]c(C(=O)O)c2)cc1	1776100822	BKTPEPQJBHWJNH-UHFFFAOYSA-N	301.258	1.175	50	20	DDGD	
Cc1cccc(C(=O)NN=C2CCCc3ncc(C(=O)O)cc32)n1	1776057757	BRGWSZXXZORGPL-UHFFFAOYSA-N	324.340	1.954	50	20	DDGD	
CCC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(C)=O)C[C@@H]21	1784615950	VQANTRCEUQXQNM-FQUUOJAGSA-N	316.829	1.394	50	20	DDGD	
C/C=C(\C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Cl)CCO2	1783069445	YCDQIMSHFUOWQU-ROSUKRPVSA-N	318.776	1.317	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1	11005871	HZXFHDHHMUQIDQ-UHFFFAOYSA-N	323.308	1.404	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccc(C(=O)OC)o2)cc1	152781278	WSHKDLNSBXRPLE-UHFFFAOYSA-N	316.313	1.703	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1nccc2ccccc12	156340527	MNFIIXVSCRBIMV-UHFFFAOYSA-N	305.301	1.658	50	20	DDGD	
O=C(NNc1ncc(F)cn1)C1=Cc2cc(F)ccc2OC1	157478898	NVNZHDBXPGJYEH-UHFFFAOYSA-N	304.256	1.674	50	20	DDGD	
Cn1cnc(NS(=O)(=O)c2ccc(CCCl)cc2)n1	829906699	PQOFKXVWXWLJNA-UHFFFAOYSA-N	300.771	1.397	50	20	DDGD	
O=C(NCC(Cl)Cl)[C@H]1CCCN1C(=O)C(F)(F)F	837647011	VTYINCMBKCOUGG-RXMQYKEDSA-N	307.099	1.460	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CSC2=NCCS2)cc1	10863362	YXRLMYUVJBBAIQ-UHFFFAOYSA-N	309.416	1.592	50	20	DDGD	
O=C(NCCCc1nc2ccccc2[nH]1)NNc1cccnn1	172484900	HDIZDVHDUWLKBX-UHFFFAOYSA-N	311.349	1.612	50	20	DDGD	
C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)NNc1ccccn1	102455808	XDTPKHYIJXMXST-NWDGAFQWSA-N	305.382	1.497	50	20	DDGD	
O=C(CN1CCC[C@@H](c2ccccc2)CC1)NNC(=O)C1CC1	112979801	AINJTHKGGWLHPM-OAHLLOKOSA-N	315.417	1.814	50	20	DDGD	
CC(=O)N[C@H](CC(=O)NNC(=O)CC(C)C)c1ccc(C)cc1	21443922	AGZQACBISWLGJF-OAHLLOKOSA-N	319.405	1.756	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NCc2ccco2)cc1	55088326	PYNKORFGMOOPJG-UHFFFAOYSA-N	317.345	1.751	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1O	106907041	RPWIOEICAHGVLD-QMMMGPOBSA-N	319.144	1.639	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2csc(C3CC3)n2)n1	174472157	LLTLEPMCDYELLK-UHFFFAOYSA-N	305.363	1.884	50	20	DDGD	
COc1cccc(CCNC(=O)NNc2ccc(C)nn2)c1	106260659	YPXKNPLZAUGKMX-UHFFFAOYSA-N	301.350	1.662	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCOCCOC)c1ccccc1	110341212	ZQWISPQWZPSQQP-CQSZACIVSA-N	308.378	1.381	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1sc(C)cc1OC(F)F	114559466	CRZJXDHBDGTDCS-UHFFFAOYSA-N	321.374	1.953	50	20	DDGD	
O=C(/C=C/c1ccccc1OC(F)F)NNC(=O)NC1CC1	64428865	HPFQPDVYVMBTNP-VMPITWQZSA-N	311.288	1.794	50	20	DDGD	
O=C(CN1CCCCCC1=O)NNC(=O)c1ccc(Cl)cc1	68902767	HZNOBVJYJIQSDP-UHFFFAOYSA-N	323.780	1.504	50	20	DDGD	
CS[C@H](C(=O)NNC(=O)Cc1cccnc1)c1ccccc1	172400772	NDASMCDKRPTZEJ-HNNXBMFYSA-N	315.398	1.876	50	20	DDGD	
O=C(NNC(=O)c1cc2c([nH]c1=O)CCCC2)c1ccccc1	68071584	MUXYMAJGWVUGFE-UHFFFAOYSA-N	311.341	1.329	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccccc2OC2CCC2)cn1	118230352	MULFSZHEMQCSSU-UHFFFAOYSA-N	314.345	1.426	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2cnccn2)nn1-c1ccccc1	114879997	YCEIXDFVRGTFKO-UHFFFAOYSA-N	322.328	1.088	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1cccc(CN(C)CC)c1	66702001	HGVFDSDAYJKITA-UHFFFAOYSA-N	322.409	1.005	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCc2cc3ccccc3[nH]2)cn1	118067428	IJEKORQFGMBTLZ-UHFFFAOYSA-N	312.333	1.046	50	20	DDGD	
CCOc1ccccc1CCNC(=O)NNc1ncccn1	69828019	IJNLVZRZIZMAKJ-UHFFFAOYSA-N	301.350	1.744	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ncn(-c2ccccc2)n1	119107893	NAAIAMANMPKJKU-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
CCC(CC)[C@@H](C(=O)NNc1cnccn1)N1CCOCC1	173600299	YQCDBFHGDNNKEN-AWEZNQCLSA-N	307.398	1.057	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(Br)cc1OC	125696256	NFMDNRAQLKUTPX-UHFFFAOYSA-N	317.139	1.849	50	20	DDGD	
Cc1cc(F)cc(NC(=O)C(=O)NNC(=O)CC2CCCC2)c1	125912765	SUBSNNSLEDVTNZ-UHFFFAOYSA-N	321.352	1.800	50	20	DDGD	
O=C(CCc1nc(-c2ccco2)no1)NNc1ncccn1	124083768	LCHKYEYBVXZSEM-UHFFFAOYSA-N	300.278	1.196	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cn(C(C)(C)C)nc2C)n1	183418674	NDMOZHBGIPVXRH-UHFFFAOYSA-N	318.381	1.810	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1ccc(-n2ccnc2)nc1	185212965	HOMNYLQGNQVBSK-UHFFFAOYSA-N	322.328	1.349	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1C[C@@H]2CCC[C@H]2C1	120275966	HLBRQVAICSAFIS-RYUDHWBXSA-N	303.362	1.782	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)Cc2n[nH]c3ccccc23)n1	121684604	KKWHXQZUIGYYDD-UHFFFAOYSA-N	317.740	1.274	50	20	DDGD	
COCCCCC(=O)NNC(=O)c1cn(C)c2ccccc12	122174965	PCFJWGADEGQQQS-UHFFFAOYSA-N	303.362	1.756	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2cc3ccccc3o2)C[C@@H](C)O1	78347627	XKYUXCIKABRYGB-PHIMTYICSA-N	317.345	1.896	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H](CC(C)C)NC(C)=O)cc1	182939808	DSLGWAJUPJTRCB-HNNXBMFYSA-N	319.405	1.561	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H](C)OC[C@H]1CCCO1	70780944	JDWJGHGPKPWWBA-CHWSQXEVSA-N	306.362	1.340	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CCc1nc(-c2cccs2)no1	139119169	ZZXKYSNETVGUPY-UHFFFAOYSA-N	322.390	1.924	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccc(F)c(Br)c1	192913692	XMOYNTKMYOIQFR-UHFFFAOYSA-N	319.130	1.120	50	20	DDGD	
CS(=O)(=O)CC1(CC(=O)NNc2cccnc2Cl)CC1	85686546	PEAROMCSHCUBFC-UHFFFAOYSA-N	317.798	1.393	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)[C@H]1CCCc2cccnc21	193176154	CZFVYNZMGIEALN-HNNXBMFYSA-N	324.384	1.761	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)COCC(F)(F)F)c1	93295612	RQRNKJDSIBWGAB-UHFFFAOYSA-N	308.647	1.629	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1ccc(-n2nccn2)cc1	92017837	LPQQDIHJQJDLBG-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cc(C)ccc1NS(C)(=O)=O	269461508	HPAXQCIJZZRDCM-PKNBQFBNSA-N	323.374	1.749	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CN(C)C)c(Br)s1	268686779	QUMSMTHQBJLYKU-UHFFFAOYSA-N	320.212	1.142	50	20	DDGD	
C=C1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1	264427902	BUALQOVZTGQVMD-UHFFFAOYSA-N	318.333	1.008	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2CCO[C@]3(CCSC3)C2)nn1	269161901	UEDARCMFPYBASC-SMDDNHRTSA-N	323.422	1.466	50	20	DDGD	
C[C@@H]1CC/C(=C\C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1	267838791	HDYUYSXWDXEMBH-XFRGYXEISA-N	316.357	1.720	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@H]1CCN(c2ccccc2F)C1	365618821	BCCLAEQOEQKLLG-LBPRGKRZSA-N	300.337	1.612	50	20	DDGD	
CC(C)(C)[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1cncs1	277033386	KRXWGSWQEDYBHV-JQWIXIFHSA-N	311.407	1.284	50	20	DDGD	
Cc1nn(C(C)(C)C)cc1C(=O)NNC(=O)NC1CCCC1	273093182	SYXFUMPISFIDRM-UHFFFAOYSA-N	307.398	1.833	50	20	DDGD	
CC(C)Cn1cc(NC(=O)NNC(=O)Cc2ccncc2)cn1	273529624	WCAHTFLRUUYHDE-UHFFFAOYSA-N	316.365	1.330	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCSC(C)(C)C)n1	279942524	NVBLJUBTCHLLLE-UHFFFAOYSA-N	310.423	1.866	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)CC1CCOCC1	270663735	DANIGHZMXJUALW-UHFFFAOYSA-N	324.402	1.448	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1ccc(OC)c(C)c1C	288997126	SVKBYTHMOHABRV-UHFFFAOYSA-N	302.352	1.204	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2Cc3ccccc3O2)c1	371580593	OHUPGICNINZBCT-OAHLLOKOSA-N	312.325	1.920	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCCCS(C)(=O)=O	282529727	WCAFUKZKVFBQKE-UHFFFAOYSA-N	313.423	1.618	50	20	DDGD	
Cn1nc([C@H]2CCCOC2)cc1NC(=O)NNC(=O)C1CCC1	280306573	XKJLQIVQYVXKOW-NSHDSACASA-N	321.381	1.267	50	20	DDGD	
Cc1nnc(COCC(=O)NNc2ccc([N+](=O)[O-])cc2)s1	285751371	LRVMEEJXFAZJMA-UHFFFAOYSA-N	323.334	1.415	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2nc(C)oc2C)cc1	294933505	BJEUEFJJBIHSDW-UHFFFAOYSA-N	318.333	1.173	50	20	DDGD	
CCOC1(C(=O)NNC(=O)c2ccccc2F)CCOCC1	803650775	NPKXAHJKGVNPEF-UHFFFAOYSA-N	310.325	1.172	50	20	DDGD	
COc1cccc(CNC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	296671891	WDZRQYRFOKAPJM-GWCFXTLKSA-N	307.350	1.093	50	20	DDGD	
CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NNc1ccncn1	296212213	NFJXJTHSPPGUBN-LLVKDONJSA-N	305.382	1.347	50	20	DDGD	
CC/C(=C\C(=O)NNC(=O)[C@@H]1CCCO1)c1ccc(OC)cc1	292171285	PSNJBNYYXUJBOW-RUMSDORHSA-N	318.373	1.815	50	20	DDGD	
COCC1(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)CCC1	803396549	DHGHNPWMJZRYJV-UHFFFAOYSA-N	320.393	1.722	50	20	DDGD	
CC[C@@H](C)CONC(=O)NNC(=O)COc1ccc(C#N)cc1	291752310	KIFDRNJDMXFYRC-LLVKDONJSA-N	320.349	1.245	50	20	DDGD	
Cc1cc(C)cc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c1	298127687	WYOXHZDPNKDYBR-AWEZNQCLSA-N	310.419	1.409	50	20	DDGD	
Cc1nn(C(F)F)c(C)c1CC(=O)NNc1ncncc1F	294082390	QWCRUPSAVKATPQ-UHFFFAOYSA-N	314.271	1.510	50	20	DDGD	
C[C@H](NCC(=O)NNC(=O)c1cccs1)c1ccsc1	801570587	ODVXSFOZKUBTLD-VIFPVBQESA-N	309.416	1.921	50	20	DDGD	
CCOC1(C(=O)NNC(=O)Cc2ccccc2F)CCOCC1	803651001	SYRLMMHFRCXUGI-UHFFFAOYSA-N	324.352	1.101	50	20	DDGD	
Cc1cc(C)nc(C(=O)NNC(=O)COc2ccccc2F)c1	801082457	UWACTTKLIFCOAT-UHFFFAOYSA-N	317.320	1.678	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)c2cnn(-c3ccccc3)c2)nn1	807970893	ARIUQTFHYIGJQX-UHFFFAOYSA-N	323.360	1.809	50	20	DDGD	
O=C(COc1ccc([N+](=O)[O-])cc1)NNc1ncccc1F	804213284	KOCONZWFBQELOM-UHFFFAOYSA-N	306.253	1.651	50	20	DDGD	
CCOC(=O)COCCNC(=O)NNc1c(C)cccc1CC	297510079	NAGNDTQLVROFAD-UHFFFAOYSA-N	323.393	1.763	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1ccc(F)cc1[N+](=O)[O-]	802026653	USQAUGFIIQGAPJ-UHFFFAOYSA-N	319.252	1.017	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cncc(C(F)(F)F)c2)n1	808421474	IKJICRQHARHLAW-UHFFFAOYSA-N	324.262	1.879	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNC(=O)NC2CCCC2)cn1	808387159	LDLIYJVAWCJMMA-UHFFFAOYSA-N	305.382	1.661	50	20	DDGD	
CC(C)[C@@H]1CCCN1CC(=O)NNC(=O)c1ccc(F)cc1	298120999	MWEJENTVVJWPEW-AWEZNQCLSA-N	307.369	1.707	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccccc1Oc1ccncc1	801143663	OSARUUFOSWZRCS-UHFFFAOYSA-N	300.318	1.790	50	20	DDGD	
C#Cc1cncc(C(=O)NNC(=O)c2ccc(Cl)cc2O)c1	806537304	UQMWUPWRFOTLCR-UHFFFAOYSA-N	315.716	1.497	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1cc([N+](=O)[O-])c[nH]1	805461691	KJKWSUQEBGKAAI-UHFFFAOYSA-N	302.294	1.737	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)c1c[nH]c2ccccc12)OC	290988536	QBRMLPRAIGLSLX-SNVBAGLBSA-N	304.350	1.537	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)CCCOc2ccccc2F)O1	294440826	ZZSXKPUSQJHDTN-FZMZJTMJSA-N	324.352	1.700	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	295079850	WSUHUGBJZQSAST-LLVKDONJSA-N	322.390	1.714	50	20	DDGD	
C[C@H]1CCC[C@H]1NCC(=O)NNC(=O)c1cccc(Cl)c1	800392020	XLTOGDWAPCQIGD-GXFFZTMASA-N	309.797	1.879	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)c1cccc(C#N)c1)OC	813873517	JIFZAFPGTNYKIK-UHFFFAOYSA-N	318.377	1.707	50	20	DDGD	
CCC(=NNC(=O)Cc1cc[nH]n1)c1ccc(OC)c(OC)c1	814957502	IVFJYPIJJSENCP-UHFFFAOYSA-N	316.361	1.900	50	20	DDGD	
CN(C)S(=O)(=O)c1cccc(C(=O)NN=C2CC3(CC3)C2)c1	814725644	LZFSDDPIUYVAMR-UHFFFAOYSA-N	321.402	1.597	50	20	DDGD	
CC(=O)c1cc(C(=O)NNc2ncncc2F)c(C)nc1C	817082117	NGLXBPHSQUEKJP-UHFFFAOYSA-N	303.297	1.587	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cn(C)nc2C(C)C)c(O)c1	819844065	PLYRHULVPRBFLY-UHFFFAOYSA-N	316.361	1.632	50	20	DDGD	
O=C(CNC(=O)c1cccc(F)c1)NNc1cccc(Cl)n1	817008102	DYTWJDJNQVLQHK-UHFFFAOYSA-N	322.727	1.747	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1ccc(C#N)c(F)c1	810403436	WKJBFJODJPNWRX-UHFFFAOYSA-N	313.292	1.483	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)Nc1ccc(C(=O)O)cc1	811643025	PEZGHXAELFBVPR-LBPRGKRZSA-N	318.333	1.551	50	20	DDGD	
O=C(CCc1nc(O)c2ccccc2n1)NNC(=O)CC1CC1	819109292	BEFIMCJFKFEUDJ-UHFFFAOYSA-N	314.345	1.216	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1cccc(Br)n1	815002383	YDVJQKBXWCSJBC-UHFFFAOYSA-N	320.150	1.817	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2cnc(N(C)C)nc2)cc1	814742884	KFAXIFYRIGNEPV-UHFFFAOYSA-N	313.361	1.380	50	20	DDGD	
C[C@@H](OCc1ccccc1)C(=NNC(=O)CO)C(F)(F)F	811646614	FQPKNCKOQIQCMT-SECBINFHSA-N	304.268	1.619	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCC1=O	824866836	NSBMRYSHPNLMRA-MWLCHTKSSA-N	314.349	1.315	50	20	DDGD	
CN(C)CCOCCNC(=O)/C(C#N)=C\c1ccc(F)cc1	490874034	FOGLXMVIXHYEDQ-KAMYIIQDSA-N	305.353	1.427	50	20	DDGD	
C[C@H]1CCCC[C@H]1C(=O)OCC(=O)NNC(=O)c1cccs1	820939904	OAGNRFUTKSOHOK-WDEREUQCSA-N	324.402	1.879	50	20	DDGD	
COc1cc(C(=O)NNC(=O)NC(C)C)c2ccccc2n1	824404158	LJMJAOWFYLVBJY-UHFFFAOYSA-N	302.334	1.596	50	20	DDGD	
CCC[C@H](CC)C(=O)NNC(=O)Cc1cn2ccccc2n1	820520265	NOUAUTTVBCPJRA-LBPRGKRZSA-N	302.378	1.851	50	20	DDGD	
CCn1ncc(C)c1NC(=O)NNC(=O)Cc1ccncc1	825155282	BKINASPQJZZMBF-UHFFFAOYSA-N	302.338	1.002	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1cc2c(C)cccc2o1	827869529	CVXSKZLGGWYUFH-UHFFFAOYSA-N	306.318	1.165	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC(CO)(c2ccccc2)CC1	490940195	IGJJUNHGNDBWON-FYWRMAATSA-N	314.385	1.983	50	20	DDGD	
C[C@@]1(C(=O)NNc2ncc(Cl)cc2Cl)CCNC1=O	822061879	AQBWZDOUXWMOSV-LLVKDONJSA-N	303.149	1.358	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cccc2c1OC(F)(F)O2	822252192	IMBQIGDROXBGOF-UHFFFAOYSA-N	300.261	1.815	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNc1ncncc1Cl	495572365	HNCZBHNSFVKITF-UHFFFAOYSA-N	315.761	1.488	50	20	DDGD	
COCCn1cc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)cn1	491133455	PLELXRGWNATZFZ-MDWZMJQESA-N	312.329	1.781	50	20	DDGD	
CCO[C@H]1C[C@H](NC(=O)c2ccc(B(O)O)cc2)C1(CC)CC	584959348	AVFQDLKIGQFJMA-GJZGRUSLSA-N	319.210	1.080	50	20	DDGD	
CCN(CCO)NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C	823842741	VZUQBCUDLRVADY-UHFFFAOYSA-N	322.796	1.793	50	20	DDGD	
Cc1c(C(=O)Nc2cccc(B(O)O)c2)oc2c1C(=O)CCC2	584910650	PEBXTAOWHJZKQH-UHFFFAOYSA-N	313.118	1.039	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)/C=C\[C@@H]2CCOC2)c1	822200598	RQYZJXRXHJDPAF-DLRQAJBASA-N	320.345	1.058	50	20	DDGD	
O=C(NN=Cc1ccc(O[C@H]2CCOC2)cc1)c1ncon1	901287634	VKUIXTUOFPVCDK-LBPRGKRZSA-N	302.290	1.001	50	20	DDGD	
C[C@@H](NC(=O)C1CCCC1)C(=O)NN(C)C(=O)OC(C)(C)C	497138119	ZCHWNFDMANCTJN-SNVBAGLBSA-N	313.398	1.579	50	20	DDGD	
CCN(CCO)NC(=O)c1c[nH]nc1-c1ccc(Cl)s1	823874270	POYYTLVQLACZSC-UHFFFAOYSA-N	314.798	1.751	50	20	DDGD	
CC(C)[C@@H](NC(=O)O)C(=O)NNc1nc(-c2ccccc2)no1	736377173	XPJGHUQKGTUWHO-SNVBAGLBSA-N	319.321	1.472	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC([C@](C)(O)C(F)(F)F)CC1	490880405	UVQNPKSLIYPGJA-LXKVQUBZSA-N	320.311	1.982	50	20	DDGD	
Cc1ccc(CC(=O)NN(C)[C@H](C)CO)cc1Br	823934092	BKPLCFUFDNNFOB-SNVBAGLBSA-N	315.211	1.644	50	20	DDGD	
C[C@H](OCC1CC1)C(=O)NNc1cccc(-c2nn[nH]n2)c1	824727543	BCNFWQQUNKLYKW-VIFPVBQESA-N	302.338	1.125	50	20	DDGD	
COc1ccc(CC(C)=NNC(=O)c2ncon2)cc1OC	901287016	ZWNPUWNKRFUWRF-UHFFFAOYSA-N	304.306	1.435	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1cnn2c1CCC2	822731642	KWPDSBAWXJTKIH-UHFFFAOYSA-N	318.308	1.512	50	20	DDGD	
Cc1nn(CCC#N)c(C)c1CCC(=O)NNc1cnccn1	734245384	YLWSHMICWUBPQO-UHFFFAOYSA-N	313.365	1.280	50	20	DDGD	
C[C@]1(C(=O)N2CCC[C@@H](CNC(N)=O)C2)C[C@@H]1Br	906233197	ZQEZQISSCDZYPS-AUTRQRHGSA-N	318.215	1.067	50	20	DDGD	
CCS[C@H]1CCCC[C@@H]1NC(=O)c1ccc(B(O)O)cc1	584961634	YHJNHVLHIUGHIN-KBPBESRZSA-N	307.224	1.161	50	20	DDGD	
Cn1nc2c(c1C(=O)NNC(=O)NC1CCCCC1)CCC2	905104875	XNLAIBGOAQZOMG-UHFFFAOYSA-N	305.382	1.186	50	20	DDGD	
O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)NNC(=O)C1CCC1	732241324	GEIIQPJAKOZTPI-VIFPVBQESA-N	322.331	1.001	50	20	DDGD	
CCNC(=O)CCC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	732058766	YJRBZFPYNDAFDV-UHFFFAOYSA-N	314.729	1.608	50	20	DDGD	
Cc1ccc(F)c(OCC(=O)NNc2ccc(C(=O)O)cn2)c1	833749630	QGTKMIFRRXZRHY-UHFFFAOYSA-N	319.292	1.749	50	20	DDGD	
CCOCC(=O)NN=C1CCN(C(=O)OCc2ccccc2)C1	497036748	IJZKFZBXFWZJRI-UHFFFAOYSA-N	319.361	1.538	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cnn(C)c1)[C@H]1CCC[C@@H](C)C1	836671594	YGYWMIGMFNUBEE-WOPDTQHZSA-N	307.398	1.579	50	20	DDGD	
Cn1cc(C(=O)NN=C2C(=O)Nc3cccc(Cl)c32)cn1	735410963	FKRMHFYBCADHPO-UHFFFAOYSA-N	303.709	1.160	50	20	DDGD	
N#Cc1cccc(NNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)c1	830767264	ZCMGCTWDVHZRQC-RRFJBIMHSA-N	312.373	1.696	50	20	DDGD	
CCNC(=O)N1CCN(C(=O)[C@]2(C)C[C@H]2Br)CC1	905480378	AOWAQKBMUZZYIQ-BXKDBHETSA-N	318.215	1.034	50	20	DDGD	
CSCCCCNC(=O)NNc1cccc(-c2nn[nH]n2)c1	737182947	SFQWZYXIYCLBOO-UHFFFAOYSA-N	321.410	1.636	50	20	DDGD	
COc1ccc(C=NNC(=O)C(C)(C)C)cc1-c1nn[nH]n1	737081937	RWNDVJNELCJHQF-UHFFFAOYSA-N	302.338	1.372	50	20	DDGD	
C[C@H]1CC[C@@H](CNC(=O)NNC(=O)c2ccc(C#N)cc2)O1	838744476	KQJYIJOFMVOVRD-GWCFXTLKSA-N	302.334	1.070	50	20	DDGD	
COc1ccc(Br)c(C(=O)NN=Cc2ncc[nH]2)c1	731153369	IPABHYOLKAYGSF-UHFFFAOYSA-N	323.150	1.945	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(C(=O)O)c1)C1CCOCC1	833520864	JACYYVPASAHXET-JTQLQIEISA-N	307.350	1.826	50	20	DDGD	
Cc1csc(CCNC(=O)NNC(=O)CC(F)(F)F)n1	918068187	DHAOCUNPCYURIC-UHFFFAOYSA-N	310.301	1.277	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)C1CCCC1	914843159	AGNMBCUDTDSSCW-IINYFYTJSA-N	304.346	1.553	50	20	DDGD	
CN1CC[C@@H]2CN(C(=O)[C@@]3(C)C[C@@H]3Br)C[C@@H]2C1	911829786	ZKEHQZNCRCVFKL-BLFANLJRSA-N	301.228	1.570	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NOCCSC)cc1	836435724	HBTYPFQLMGTIOA-UHFFFAOYSA-N	314.367	1.326	50	20	DDGD	
Cc1noc2ncc(C(=O)NNC(=S)NC(C)(C)C)cc12	918399808	RFAWBINIRQAURN-UHFFFAOYSA-N	307.379	1.439	50	20	DDGD	
C[C@H](Oc1cccc(C=NNC(=O)c2ccccn2)c1)C(=O)O	746676315	BCPBBURITHTUFQ-NSHDSACASA-N	313.313	1.697	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cc(C(F)F)[nH]n1	912109257	GJRQHEOOHCGLHM-UHFFFAOYSA-N	303.338	1.256	50	20	DDGD	
CCC(=O)Nc1cccc(CNC(=O)NNC(=O)CC(C)C)c1	916381649	PBUHMRSFNGMFDT-UHFFFAOYSA-N	320.393	1.912	50	20	DDGD	
Cc1cc(C#N)ccc1S(=O)(=O)NNC(=O)C1CCCC1	740810920	GLYVZEQMEAOOFN-UHFFFAOYSA-N	307.375	1.366	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CC(C)C)nn1CC(F)(F)F	841805517	ONIHVGNPAPYHLW-UHFFFAOYSA-N	321.303	1.953	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCC(F)(F)CN)c1ccccc1	841971708	SXOKXESOODLUMP-NSHDSACASA-N	314.336	1.105	50	20	DDGD	
COC(=O)[C@@]1(C)CCCN(S(=O)(=O)CCCCCl)C1	841568056	LAWQTHFJSPDGIK-LBPRGKRZSA-N	311.831	1.610	50	20	DDGD	
C=C(CBr)COC(=O)[C@@H]1CC(=O)N(CCC)C1	840664119	AHMAAMNRIKYDON-SNVBAGLBSA-N	304.184	1.739	50	20	DDGD	
COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)NCCCSC#N	916985500	FSUAAGVEURXNBW-QWRGUYRKSA-N	320.436	1.242	50	20	DDGD	
C[C@]1(C(=O)NCC[C@]2(O)CCCOC2)C[C@H]1Br	911914338	KFTWSBRZTCSQOM-ADEWGFFLSA-N	306.200	1.208	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCSc1ccccn1	843652307	IYRAKPSFJBIPNQ-WDEREUQCSA-N	309.391	1.136	50	20	DDGD	
Cc1nc2ccccc2c(C)c1CC(=O)NN(C)C[C@H](C)O	910166959	ABVSNKFYLRWKKV-NSHDSACASA-N	301.390	1.738	50	20	DDGD	
C[C@H](OCC1CC1)C(=O)NNc1ncc(Br)cn1	848319710	CDRJDOBDGNUSBQ-ZETCQYMHSA-N	315.171	1.497	50	20	DDGD	
CCOc1ccc([N+](=O)[O-])cc1C=NNC(=O)[C@@H]1CCO[C@H]1C	842559878	YDDPNPKXGSHVQB-GXFFZTMASA-N	321.333	1.869	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2csc(N(C)C)n2)nn1	747508090	VBQOEDSHDYIDBU-UHFFFAOYSA-N	307.383	1.134	50	20	DDGD	
Cn1nc(C2CC2)nc1CC(=O)NNc1cnnc2ccccc12	844135326	WLODBNNLQQMPFI-UHFFFAOYSA-N	323.360	1.322	50	20	DDGD	
C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)C1CC1	748143807	RHVWVTVGYHZBJT-SECBINFHSA-N	324.764	1.690	50	20	DDGD	
Cc1cc(C)cc(NC(=O)NN(C)C(=O)N2CCNCC2)c1	841007465	NPWFIVPXEBMZRU-UHFFFAOYSA-N	305.382	1.297	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2ccc(OCC(=O)O)cc2)o1	916660930	MJWFVMWBPFCHLR-UHFFFAOYSA-N	302.286	1.815	50	20	DDGD	
C/C(=C\c1ccc(Br)o1)C(=O)NN(C)C[C@H](C)O	910181985	GBCAKQTTWRTFJN-ORZBULNSSA-N	317.183	1.789	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NNc1nnc(C)c(O)n1	749186465	NGZRPEMGMOIASD-RKDXNWHRSA-N	305.363	1.502	50	20	DDGD	
Cc1nc(CCC(=O)NN(C)C[C@H](C)O)oc1-c1ccccc1	910165520	LYZPXZPBNRCGIV-LBPRGKRZSA-N	317.389	1.926	50	20	DDGD	
COc1ccc(C)cc1CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843647718	ZKVSVZAXYHHQIE-DGCLKSJQSA-N	306.362	1.119	50	20	DDGD	
COC[C@H](Cc1ccccc1)NC(=O)NNc1ncccn1	746779081	GPMSIYYXPLGJIQ-ZDUSSCGKSA-N	301.350	1.360	50	20	DDGD	
COC(=O)/C=C/c1ccc(/C=C(/C#N)C(=O)N2CCCC2)o1	848639180	PVRXYWXZKLBWQO-PBDTWZTKSA-N	300.314	1.995	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)Cc2ccccc2OC)[C@H]1OC	841620580	JCBSRJJFUPYUTO-GDBMZVCRSA-N	306.362	1.534	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1Cc2ccccc2C(F)(F)C1	749446744	BAEAKSLYSUUHLB-SNVBAGLBSA-N	311.332	1.540	50	20	DDGD	
O=C(NNC(=O)C1SCCCS1)NC1CCCCC1	841376554	VDNPWQYIQFVWGK-UHFFFAOYSA-N	303.453	1.846	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@@H](CO)[C@@H]1CCCOC1	840522392	LJMDYOPNFQPJGF-OUAUKWLOSA-N	322.243	1.700	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CCO[C@H]2c2ccncc2)nc1	845988524	ZBENVTHFTXCPEU-HIFRSBDPSA-N	314.345	1.706	50	20	DDGD	
CN(C)C(=O)NN=C1C(=O)Nc2c(Cl)cc(Cl)cc21	745605682	WVWQYQWWUBIJOM-UHFFFAOYSA-N	301.133	1.921	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)Cn1ccccc1=O	920437481	WZPOHGUVTWIAQP-UHFFFAOYSA-N	300.318	1.010	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)Cc2cn3ccccc3n2)[C@H]1OC	841627883	FTESRTLUEOCOGH-CZUORRHYSA-N	316.361	1.173	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CCC1	843654889	HHIXSCPQJMMWKH-UONOGXRCSA-N	316.401	1.989	50	20	DDGD	
C[C@H]1[C@@H](CO)CCCN1C(=O)NNC(=O)c1ccc(C#N)cc1	841580028	FGLRYSJONUYXGQ-SMDDNHRTSA-N	316.361	1.005	50	20	DDGD	
CCN1CCC[C@H](NC(=O)NNc2c(F)cccc2F)C1=O	925970758	ONHHFUDUFIPLOS-NSHDSACASA-N	312.320	1.602	50	20	DDGD	
CCC[C@H](O)CC(=O)NNc1ccccc1S(C)(=O)=O	750422939	BPKCYEZYJTVABE-JTQLQIEISA-N	300.380	1.084	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1ccc(OC2CCC2)cc1	755278788	DRMIQRPNYFSWFB-UHFFFAOYSA-N	314.345	1.345	50	20	DDGD	
CCNC(=O)NN=C1CC2(CCN(C)CC2)Oc2ccccc21	755667805	CTUWUFNWCPDSCP-UHFFFAOYSA-N	316.405	1.957	50	20	DDGD	
CCN1C[C@@H](C(=O)NNc2cccc(C(=O)OC)c2C)CC1=O	855628271	SVPYHHZQHVQHBK-NSHDSACASA-N	319.361	1.093	50	20	DDGD	
CO[C@@H](C)CNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	852398451	CONPNPFVGRWVMX-NSHDSACASA-N	307.394	1.963	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C[C@H]2CCCC(=O)N2)ccc1C	857264344	WNLHZTQKYHWUOA-LLVKDONJSA-N	319.361	1.284	50	20	DDGD	
C[C@@H]1CCSCCN1C(=O)NNC(=O)c1cccc(F)n1	852710434	PKMSRVQSWDULFC-SECBINFHSA-N	312.370	1.403	50	20	DDGD	
COC(=O)c1oc(S(=O)(=O)N2CC=C(C#N)CC2)cc1C	851776986	FTHNLUDPOKBJAL-UHFFFAOYSA-N	310.331	1.219	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H](C)Oc2cccnc2)nc1	759728319	BJACZFAJURKSRQ-SNVBAGLBSA-N	316.317	1.174	50	20	DDGD	
COC(=O)CCCNC(=S)NC[C@@]1(C)C[C@@H]1Br	857204184	LTIPMSNZKSFOJZ-GZMMTYOYSA-N	323.256	1.577	50	20	DDGD	
CC(C)(CNC(=O)NNc1ncc(Cl)cn1)OCC1CC1	856916525	WJNHKHLFOBTWBB-UHFFFAOYSA-N	313.789	1.961	50	20	DDGD	
CCc1ccc(C(C)=NNC(=O)Cc2cc(O)nc(S)n2)o1	752159529	DQSOBGFMDBBFFZ-UHFFFAOYSA-N	320.374	1.709	50	20	DDGD	
COc1nccnc1NNC(=O)CC[C@H]1CC1(Cl)Cl	854953802	VWEQVOGALNNCSY-ZETCQYMHSA-N	305.165	1.902	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(CCC(=O)NC(N)=O)C1	852523206	XVUOGTZABBCDTH-LLVKDONJSA-N	315.490	1.668	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H]1CCCN(CC(F)(F)F)C1	920822251	BSZIUIAWDYNHOU-JTQLQIEISA-N	324.347	1.391	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)CCOC1	755645329	FMBOKQSAZOFSKE-CQSZACIVSA-N	320.374	1.326	50	20	DDGD	
CC(=O)N[C@H](C(=O)NC[C@@]1(C)C[C@H]1Br)C(C)C	857406088	ZGSXCZDAYIPOEO-JFGNBEQYSA-N	305.216	1.437	50	20	DDGD	
O=C(CC[C@@H]1CCOC1)NNC(=O)Cc1c[nH]c2ccccc12	751298756	XHSUROGXVMWZKL-GFCCVEGCSA-N	315.373	1.675	50	20	DDGD	
O=S(=O)(N[C@H](CO)C1CC1)c1ccc(CCCCl)cc1	751419916	YPDMLHCOBDYVMM-CQSZACIVSA-N	317.838	1.907	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1[C@@H](C)CCC[C@H]1C	754930608	WCHPMUCIRPGKBC-XQHKEYJVSA-N	315.414	1.193	50	20	DDGD	
CC[C@@H]1CC(=NNC(=O)[C@H]2COc3ccccc3O2)CCO1	756821522	VGEZNFGGMWPYMZ-IUODEOHRSA-N	304.346	1.888	50	20	DDGD	
CO[C@@H]1C[C@H](NC(=O)NNC(=O)c2cc(C)cs2)C1(C)C	858273810	HPQZHAIUKIJRMN-WDEREUQCSA-N	311.407	1.814	50	20	DDGD	
Cc1[nH]nc2ncc(C(=O)NN=c3cc[nH]cc3Cl)cc12	768450046	CUXFLRSAWZWESO-UHFFFAOYSA-N	302.725	1.494	50	20	DDGD	
CC(C)CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(F)cc1	863150843	COBCLAHDUSFMOC-ZDUSSCGKSA-N	305.353	1.971	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CCO[C@@H](C(C)C)C2)nc1	935108457	VGNVQPKWVZDKPX-WCQYABFASA-N	321.377	1.763	50	20	DDGD	
COc1c(Cl)cc(NC(=O)C(=O)NNC(C)=O)cc1Cl	763518036	MCRRSPMKLYDFQU-UHFFFAOYSA-N	320.132	1.108	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)[C@@H]1CC12CCC2	764046527	NFDAXZGASMWCSB-JTQLQIEISA-N	306.387	1.822	50	20	DDGD	
CN1CCC(=NNC(=O)Nc2ccc(OC(F)F)cc2)C1=O	761809191	DZILYEXUJIHUDK-UHFFFAOYSA-N	312.276	1.628	50	20	DDGD	
Cc1ncc(C(=O)NNc2cc(C#N)cc(Cl)n2)c(N)n1	768701399	RCIMZMLKUUBVTO-UHFFFAOYSA-N	303.713	1.044	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H]2CCC(=O)c3cccn32)c1	862479334	KTHUKQYXFJEDQA-LLVKDONJSA-N	317.370	1.837	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@]1(C)COc2ccccc2O1	862004366	VDCWTSIUJXYTIN-OAHLLOKOSA-N	316.317	1.158	50	20	DDGD	
CCC(CC)(CC)C(=O)NNC(=O)C(=O)Nc1ccccn1	760751691	LPGZVINKPMVRJN-UHFFFAOYSA-N	306.366	1.384	50	20	DDGD	
COc1ccccc1SCC(=O)NNC1=N[C@H]2C=C[C@H]1C2	761272522	LAQUEZASVPUFLM-QWRGUYRKSA-N	303.387	1.765	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c(F)c1	872387551	BLXHYDQZYGIVCA-HIFRSBDPSA-N	305.353	1.447	50	20	DDGD	
COCCOCCNC(=O)NNc1cccc(F)c1Cl	875105856	XUHLODJMDHFYKQ-UHFFFAOYSA-N	305.737	1.768	50	20	DDGD	
C=CC[C@@H](C(=O)O[C@@H](C)C(=O)NNC(=O)CC)c1ccccc1	778428284	QIUNFYKSBNPDNK-GXTWGEPZSA-N	318.373	1.835	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCOc2ccccc21	772088380	NNSSHKRURDZLRK-CMPLNLGQSA-N	320.345	1.042	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)COC1(C)CCC1	873769048	JZQPGGLQZBNVEB-UHFFFAOYSA-N	323.418	1.972	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)Cc2nnc(C)o2)c(C)c1	873760550	FRHVJHDXVRCSIP-UHFFFAOYSA-N	319.390	1.555	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(S(C)(=O)=O)c1)C(F)(F)F	776529881	OWULELTZKWUFQH-SSDOTTSWSA-N	310.297	1.732	50	20	DDGD	
Cc1cc(F)c2nc(O)cc(C(=O)NNC(=O)C3CCC3)c2c1	778732211	FBMNDJMOXKJGMM-UHFFFAOYSA-N	317.320	1.949	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)C(=O)NN=C1CC[C@@H]2C[C@H]12	872361841	SMIRFYKVXHHCLB-PWSUYJOCSA-N	305.765	1.858	50	20	DDGD	
CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)c1ccc(C)c(O)c1	882049785	HFRNGLPPDAIWBU-NSHDSACASA-N	307.394	1.628	50	20	DDGD	
CCc1cccc2c(C=NNC(=O)NCC(=O)OC)c[nH]c12	779822547	FKUVKCKYWPLJPU-UHFFFAOYSA-N	302.334	1.536	50	20	DDGD	
CN(C)Cc1ccnc(NC(=O)NNC(=O)C2CCCC2)c1	880600733	UGWLBVWYBZDRJM-UHFFFAOYSA-N	305.382	1.486	50	20	DDGD	
COC(=O)c1ccnc(NC(=O)NNc2ccc(Cl)nn2)c1	770682901	RKCVTXBGEUORNO-UHFFFAOYSA-N	322.712	1.460	50	20	DDGD	
COc1ccc2nc(NNC(=O)c3cc[n+]([O-])cc3)c(C)cc2c1	778480379	CFTYSRUFTPJIMW-UHFFFAOYSA-N	324.340	1.942	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNc2nccc(OC)n2)cc1	773726111	IMJQQMHFIRDAFT-UHFFFAOYSA-N	315.333	1.129	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1cnco1	772993509	CBCZBVCWHGKIEJ-MRVPVSSYSA-N	309.709	1.557	50	20	DDGD	
CC(C)c1c(C(=O)NN(C)C(N)=O)cnn1-c1ccccc1	778414756	KATOXXQTCMRRQC-UHFFFAOYSA-N	301.350	1.651	50	20	DDGD	
CC(=O)Nc1ccc(NC(=O)NNc2ncc(F)cn2)cc1	775457218	BGYAUUGIJKRFHP-UHFFFAOYSA-N	304.285	1.723	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNC(=O)C(C)(C)C)c1ccnn1C	788100806	BWAUKYZSIGMUEZ-NSHDSACASA-N	309.414	1.536	50	20	DDGD	
O=C(C[C@@H]1C=CS(=O)(=O)C1)NNc1ccc(F)c(F)c1	885109869	HILFMICDTVJRMW-QMMMGPOBSA-N	302.302	1.356	50	20	DDGD	
COc1ccnc(NNC(=O)c2c(F)ccc(OC)c2OC)n1	788496316	LNASLGDMERPXFY-UHFFFAOYSA-N	322.296	1.398	50	20	DDGD	
CCCN(CCC)CCCC(=O)NNC(=O)c1cccnn1	882059918	OEHSHGMDZZCORE-UHFFFAOYSA-N	307.398	1.140	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NCCOCCN(C)C)c(C)c1	788018472	OXQOFUAIOFGDEZ-UHFFFAOYSA-N	308.426	1.816	50	20	DDGD	
CCNC(=O)NC1(C(=O)NNc2cccc(OC)n2)CCCC1	781024159	VXNJWBLXWLAJJZ-UHFFFAOYSA-N	321.381	1.165	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1cccc2ccc(C)nc12	782479102	YIGDNDWKYPJFBO-UHFFFAOYSA-N	322.390	1.398	50	20	DDGD	
CC/C(C)=C(\C)C(=O)NNC(=O)c1nnc(O)c2ccccc12	780853880	HNLQKPTUVIJFCP-MDZDMXLPSA-N	314.345	1.843	50	20	DDGD	
CC(=NNC(=O)c1nnc(O)c2ccccc12)[C@H]1CCCO1	783806347	MZQDKIVYAYAARA-GFCCVEGCSA-N	300.318	1.620	50	20	DDGD	
Nc1ccc(C(=O)NNc2ncncc2Cl)cc1[N+](=O)[O-]	781831765	PUWJIUXOAVJTKG-UHFFFAOYSA-N	308.685	1.377	50	20	DDGD	
Cn1c(=O)n(CC(=O)NNc2ccnc(F)c2)c2ccccc21	781357311	JDWMXIFFPLSUQA-UHFFFAOYSA-N	315.308	1.017	50	20	DDGD	
CCN(CC)C(=O)c1ccc(NC(=O)NNC(=O)C(C)C)cc1	782541782	LSCLWLPAZICQMN-UHFFFAOYSA-N	320.393	1.977	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccnc(NC2CCC2)c1	899999882	ZQSCBRCSBVEZCJ-UHFFFAOYSA-N	321.450	1.953	50	20	DDGD	
CCCCCN1C(=O)C(=NNC(=O)C(C)(C)O)c2ccccc21	785463236	NXVMVUQOKDMCDT-UHFFFAOYSA-N	317.389	1.815	50	20	DDGD	
COCCOc1cccc(NC(=O)NNC(=O)C2CCC2)c1	782555941	QVEMOGBPHMSIOS-UHFFFAOYSA-N	307.350	1.665	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1	792319617	DVXGKANGLBIWLT-OCCSQVGLSA-N	323.368	1.829	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc(Cl)cc(F)c1N	899997487	VHFINEBBWZTMJB-UHFFFAOYSA-N	318.805	1.969	50	20	DDGD	
CC(C)n1ncc(C(=O)NNC(=O)NC2CCCCC2)c1N	798826435	URZXMMPOEPKCHO-UHFFFAOYSA-N	308.386	1.323	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cc2ccccc2[nH]1	798314967	JCAHSHJHDRENLX-UHFFFAOYSA-N	300.240	1.674	50	20	DDGD	
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CCl)s1	1319678991	VWNCWJBNICHKFA-UHFFFAOYSA-N	324.855	1.634	50	20	DDGD	
CCc1cc(NC(=O)NNC(=O)c2ccc(OC)cc2)n(C)n1	1320245975	LHIVIUJVBMQYMJ-UHFFFAOYSA-N	317.349	1.458	50	20	DDGD	
COC(=O)C(=O)NNC(=S)Nc1ccc(Cl)cc1Cl	1339879416	VIXYLDDJEHIQAP-UHFFFAOYSA-N	322.173	1.484	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)c1	1337148249	SDQBNZDFXKWWKY-ZDUSSCGKSA-N	323.393	1.632	50	20	DDGD	
O=C(NN=Cc1ccccc1N1CCCC1)N1CCOCC1	1337969026	UNYCXCZTGWZIJI-UHFFFAOYSA-N	302.378	1.663	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)NC2CC=CC2)C[C@H]1Br	1331078558	SEWLPCFAPQYGRF-BXKDBHETSA-N	301.184	1.111	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cnn(C3CCC3)c2)cc1	1339784276	SYABZXSCRTYVLF-UHFFFAOYSA-N	313.361	1.998	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cccc3cccnc23)nn1	1338667493	ZKHSLSQQQLWLDM-UHFFFAOYSA-N	322.328	1.415	50	20	DDGD	
Cc1ccoc1CC(=O)NNC(=O)c1n[nH]c2c1CCCC2	1333784067	VTBZMFSMAUGJDA-UHFFFAOYSA-N	302.334	1.194	50	20	DDGD	
COCc1nocc1C(=O)NNc1cccc([N+](=O)[O-])c1C	1347490373	FZXNEDVXHVYKPU-UHFFFAOYSA-N	306.278	1.795	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1cccc(C)c1Cl	1349091618	ZXJMJUUUBDLNDZ-UHFFFAOYSA-N	321.764	1.538	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCCOc1cccc(OC)c1	1349345040	UEPNROSBAOZCCZ-UHFFFAOYSA-N	311.338	1.377	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1F)[C@@H]1OC[C@@H]2COCC[C@@H]21	1262642817	SCFZZYXSMJRNRL-GMOODISLSA-N	314.744	1.974	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc3c(c2)CNCC3)n1	1345781562	WQTCKIGBDRRBEU-UHFFFAOYSA-N	313.361	1.196	50	20	DDGD	
CCN(CC)CC[C@H](C)NC(=O)NNc1ccc(Cl)nn1	1515343167	KJLSFTJHPKJJBM-JTQLQIEISA-N	314.821	1.877	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)NC1CC(F)(F)C1	1601559755	YFFSRPCPYWYVAI-UHFFFAOYSA-N	303.240	1.948	50	20	DDGD	
CO[C@H]1CN(C(=O)C2CCC(Cl)CC2)[C@@](C)(C(=O)O)C1	1606759614	FBRBXTVJPYTFSS-BXTUAPDASA-N	303.786	1.875	50	20	DDGD	
Cn1nc2c(c1C(=O)NNc1ccc(C(=O)O)c(F)c1)CCC2	1608151291	KBMCCLNFRHEYIY-UHFFFAOYSA-N	318.308	1.503	50	20	DDGD	
C[C@H](Cn1cccn1)NC(=O)NNc1ccc(CC(=O)O)cc1	1604247992	VWDPXMOVKNQOPD-LLVKDONJSA-N	317.349	1.225	50	20	DDGD	
O=C(NC[C@@H]1CCCOC1)NNc1ccc(C(=O)O)c(F)c1	1601485556	YATBBMHROGFADO-VIFPVBQESA-N	311.313	1.577	50	20	DDGD	
COc1ccc(C=NNC(=O)NCC(=O)O)c(OC(F)F)c1	1607242432	HIXRVPXHJNDFMM-UHFFFAOYSA-N	317.248	1.014	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ccc(C(=O)O)c(F)c2)s1	1608243104	LWRFMHYZVAELQK-UHFFFAOYSA-N	323.305	1.441	50	20	DDGD	
Cc1c(NNC(=O)[C@H](C)c2cnn(C)c2)cccc1C(=O)O	1600051544	WDMWXLBIGAFJMN-SECBINFHSA-N	302.334	1.674	50	20	DDGD	
O=C(Cc1ccccc1O)NN=C1C[C@H]2C[C@H](C(=O)O)[C@H]1C2	1601370167	RIDGTOPZRZGUAS-JLLWLGSASA-N	302.330	1.538	50	20	DDGD	
Cn1c(NNC(=O)Cc2ccc(C(=O)O)cc2)nc2ccccc21	1608091970	WANSQSZQJOTDDF-UHFFFAOYSA-N	324.340	1.957	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)c2cccc(-c3nn[nH]n3)c2)CS1	1603874009	QLIFOABQHQUHAV-VIFPVBQESA-N	316.390	1.868	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cc(F)c(F)c(F)c2)nc1	1602383314	DUJQWQYSTBGWHN-UHFFFAOYSA-N	311.219	1.954	50	20	DDGD	
O=C(O)c1cc(C(=O)NNc2ccc(OC(F)F)cc2)on1	1608837204	HWVGIVKJKSQNMP-UHFFFAOYSA-N	313.216	1.731	50	20	DDGD	
Cc1nccc(NC(=O)NNc2ccc(CC(=O)O)cc2)n1	1600753407	YUIWQVVXHFGIEO-UHFFFAOYSA-N	301.306	1.561	50	20	DDGD	
O=C(NCCC1=CCNCC1)NNc1cccc(C(=O)O)c1	1610691242	VSUXKTOQQYMIGP-UHFFFAOYSA-N	304.350	1.321	50	20	DDGD	
CCc1cc(NC(=O)NNc2ccc(C(=O)O)cc2F)nn1C	1610058567	CWLZRTREVLTOLI-UHFFFAOYSA-N	321.312	1.968	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2CCC[C@H](C(=O)O)C2)n1	1610518797	YQYUWVBCPMVLHS-QWRGUYRKSA-N	305.334	1.042	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@]2(C(=O)O)CC2(C)C)c1	1574397380	PPAPCAHTUVNOGI-OAHLLOKOSA-N	321.402	1.814	50	20	DDGD	
C/C(=C/CNC(=O)N1C[C@H]2[C@H](Br)[C@H]2C1)C(=O)O	1588974380	YWUPVLOMELYDBA-YUOPOOHRSA-N	303.156	1.052	50	20	DDGD	
C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](F)Cl	1847813186	XFSNYBKUOGTTKC-RHYQMDGZSA-N	318.776	1.314	50	20	DDGD	
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1589198473	WSWHACSBRKIQFW-VXGBXAGGSA-N	316.365	1.513	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cnc[nH]2)C1	1842424187	MFHXRVGJNSZFBQ-SNVBAGLBSA-N	310.785	1.244	50	20	DDGD	
CC[C@H](C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1)N(C)C	1590369399	ZSCQXGPQINLWCQ-LLVKDONJSA-N	323.788	1.303	50	20	DDGD	
COCCN(C)NC(=O)Nc1c(C)sc(C)c1C(=O)O	1599232160	MAZMZGMIXVPKBZ-UHFFFAOYSA-N	301.368	1.678	50	20	DDGD	
CC(C)(CCl)C(=O)N1CC2(CCCN2C(=O)[C@H]2C[C@H]2F)C1	1845093321	RBMHYBLLNGXWED-WDEREUQCSA-N	316.804	1.813	50	20	DDGD	
C[C@@H]1SCC[C@@H]1NC(=O)NNc1cccc(-c2nn[nH]n2)c1	1590334861	CACNHNWOQHSHPG-KWQFWETISA-N	319.394	1.387	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc(OCC(=O)O)cc2)n1	1594301250	QVDLGJLEJQWUEM-UHFFFAOYSA-N	316.317	1.314	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc(-c2nn[nH]n2)c(C)c1	1590649360	SFZGOYMPGABARD-WQLSENKSSA-N	317.374	1.864	50	20	DDGD	
CC[C@@H](C(=O)O)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	1594756120	XYRRKSZDPSJEMV-GFCCVEGCSA-N	306.362	1.856	50	20	DDGD	
CCOC(=O)[C@@H]1CC[C@H](C(=O)NNc2ncccc2C(=O)O)C1	1590959126	XEEMWKPYXXQLJD-VHSXEESVSA-N	321.333	1.202	50	20	DDGD	
Cc1oc(C=NNC(=O)COc2ccccc2F)cc1C(=O)O	1776020601	ZCDDIXZWUFLBMU-UHFFFAOYSA-N	320.276	1.954	50	20	DDGD	
O=C(O)CCc1ccc(C=NNC(=O)NCc2ccco2)o1	1776039150	RFAHKAIMCQPILY-UHFFFAOYSA-N	305.290	1.723	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNC(=O)c2cc3c(s2)CCC3)c1	17446152	NOMSYCLYXKGKLW-UHFFFAOYSA-N	317.370	1.842	50	20	DDGD	
O=C1Nc2ccccc2/C1=N/NC(=O)c1ccc2c(c1)OCCO2	17696966	DFHXWKVFWKWOKM-UHFFFAOYSA-N	323.308	1.544	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)Cc1c[nH]c2ncccc12	158279876	BHZICJCQOXGTGH-UHFFFAOYSA-N	322.368	1.886	50	20	DDGD	
COC(=O)NNC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1	158774999	OUCIKUBTSGBZOA-NXEZZACHSA-N	313.151	1.940	50	20	DDGD	
COCCC1(CNC(=O)NNC(=O)CCc2ccccc2)CC1	151632389	OMUARHXQKWPSNQ-UHFFFAOYSA-N	319.405	1.766	50	20	DDGD	
CCC[C@@H](C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)C(C)C	152680457	ZJYVPNUKWPGINE-QWHCGFSZSA-N	304.456	1.551	50	20	DDGD	
COc1cc(C#N)ccc1OCC(=O)NNc1ccc(C#N)cc1	155122243	IBQKVELFPLLBCV-UHFFFAOYSA-N	322.324	1.961	50	20	DDGD	
CC(C)Sc1ccccc1NC(=O)NNC(=O)CN(C)C	156206942	SLLCVGUGNJOTHB-UHFFFAOYSA-N	310.423	1.901	50	20	DDGD	
O=C(C1CC1)N1CCCN(S(=O)(=O)CCCCCl)CC1	155734947	XLSFAAGXKJULOY-UHFFFAOYSA-N	322.858	1.280	50	20	DDGD	
C=CCC(CC=C)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	159145829	ULVMOOPYJSHRNR-ZDUSSCGKSA-N	300.424	1.247	50	20	DDGD	
CN(C[C@H]1COc2ccccc2O1)S(=O)(=O)CCCCl	36881702	BNFKAJVTPXACJZ-NSHDSACASA-N	319.810	1.717	50	20	DDGD	
NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(CCl)cc1	312757760	AZGABNMIZQPYHP-GFCCVEGCSA-N	316.810	1.454	50	20	DDGD	
CCCN(CC(=O)OC)S(=O)(=O)c1ccc(CCl)cc1	380231223	LDSIGCIJXNQXOC-UHFFFAOYSA-N	319.810	1.999	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)COc1ccccc1C#N	7541827	YCULWTBOKZZVQE-UHFFFAOYSA-N	323.352	1.636	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)C[C@@H](C)O)c1C	176539529	RZNOJNGIRBLYRK-BPKVKKHESA-N	319.405	1.498	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)c1cscn1	104633939	SDEFSSSAHQMEFA-UHFFFAOYSA-N	300.343	1.559	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H]1CCN(c2ccc(C)cc2)C1=O	178969003	AETHDWJAUISZID-FQNOHDAGSA-N	313.357	1.661	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	119772802	BUSBFXVBMVPYAV-MRXNPFEDSA-N	303.362	1.409	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NC[C@@H]1CCCOC1	57162564	VTKPMSUWYNHRNK-LBPRGKRZSA-N	309.341	1.125	50	20	DDGD	
O=C(Cc1ccccc1O)NNC(=O)c1cccc2ncccc12	106921703	AOOBMPGUQNAXAR-UHFFFAOYSA-N	321.336	1.944	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn(C(C)(C)C)c2C)o1	176217451	MXLLUVWPOFKQFT-UHFFFAOYSA-N	304.350	1.923	50	20	DDGD	
O=C(CC[C@@H]1CCOC1)NNC(=O)c1cccc2ncccc12	176020296	YRXAFBMHPSHNOQ-GFCCVEGCSA-N	313.357	1.813	50	20	DDGD	
CC(C)N(C)CC(=O)NNC(=O)c1cn(C)c2ccccc12	63465260	DTIOYEYLRCMDNB-UHFFFAOYSA-N	302.378	1.280	50	20	DDGD	
Cc1ccc(O[C@H](C)CNC(=O)NNc2ncccn2)cc1	173225953	HJFHJPXXLJHAKX-GFCCVEGCSA-N	301.350	1.879	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@H]1CCC[C@@H]1c1ccccc1	111900916	FQQZVKKNVUZXIX-ILXRZTDVSA-N	317.389	1.832	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(C)CC(=O)NC)cc1	63665143	AHYOMRGDCIQTCI-LCYFTJDESA-N	301.346	1.197	50	20	DDGD	
CCN(CCNC(=O)NNC(=O)c1ccccc1OC)C1CC1	67480052	UQVIEXRHLJNTNX-UHFFFAOYSA-N	320.393	1.124	50	20	DDGD	
CN1CCC[C@H](CNC(=O)NNC(=O)c2cccc(Cl)c2)C1	171768753	SPKUNXGTJMJOKE-LLVKDONJSA-N	324.812	1.626	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COCCO1)c1c(Cl)cccc1Cl	170812971	IAYAVPGWYQFCLT-VIFPVBQESA-N	319.144	1.170	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2cccnc2)nn1C(C)(C)C	171510841	GFELNQSYTFMLKX-UHFFFAOYSA-N	315.377	1.345	50	20	DDGD	
O=C(NNc1ncccn1)NC1CCN(C2CCCCC2)CC1	176484928	SXBHBACUBFFZKN-UHFFFAOYSA-N	318.425	1.900	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(C)c(S(C)(=O)=O)c2)ncn1	172280327	ACSKXAJYEJOJTP-UHFFFAOYSA-N	320.374	1.254	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccn(-c2ccccc2F)n1	68266370	PNRGDBJPCXZVPD-UHFFFAOYSA-N	319.340	1.756	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNc2cc(F)cc(OC)c2)C1	127184663	IUVTXWLZSXLLLX-SNVBAGLBSA-N	309.341	1.536	50	20	DDGD	
CCc1ccnc(C(=O)NNC(=O)c2ccc(Cl)nc2)c1	181757267	IIZBXOQHANCHCO-UHFFFAOYSA-N	304.737	1.767	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cn(-c3ccccc3)nn2)n1	36830897	AERLSERBJUWNFV-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
COc1cccc(NNC(=O)CCCNC(=O)C(C)(C)C)n1	180666731	PTDAJIBJWLAQDL-UHFFFAOYSA-N	308.382	1.476	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)C(=O)Nc1cnn(C)c1C	189199179	FJKXQEFMXGFXOH-UHFFFAOYSA-N	305.313	1.258	50	20	DDGD	
CC[C@H]1CCC[C@H](NC(=O)NNC(=O)Cc2cccnc2)C1	77564053	CBZILIYUXLUWRP-JSGCOSHPSA-N	304.394	1.923	50	20	DDGD	
O=C(NCc1ccccc1F)NNC(=O)c1ccccc1O	31724382	JGPWLOHUIUVJMW-UHFFFAOYSA-N	303.293	1.676	50	20	DDGD	
CCOC[C@@H]1CCCN(C(=O)NNC(=O)c2ccccc2)C1	73035769	BLUKSSRKMJDEPS-CYBMUJFWSA-N	305.378	1.790	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NNc1ccccn1	181402040	GEYFVGBVYMDRQH-UHFFFAOYSA-N	315.289	1.380	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCc2ccc(Cl)nc2)o1	123312891	UEPJQFJLHCOEKT-UHFFFAOYSA-N	322.752	1.823	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)Nc2cnn(C)c2)cc1	183225027	VDAHPJDFNLTNIZ-UHFFFAOYSA-N	317.349	1.214	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1ccc2ccccc2c1	42901300	XMWVTAJEIHNTAL-UHFFFAOYSA-N	315.373	1.749	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C/c2cc(F)c(O)c(F)c2)n1	134503400	AUKXFHFLWRHPSR-RUDMXATFSA-N	304.256	1.950	50	20	DDGD	
CCS[C@@H](C(=O)NNc1cc(Cl)nc(N)n1)C(C)C	134112006	DVEWDAIODPMOIT-SECBINFHSA-N	303.819	1.933	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1ncc(F)cc1F	192337209	GXFUMMKTZDRSPV-UHFFFAOYSA-N	321.283	1.338	50	20	DDGD	
C[C@H](Oc1cccnc1)C(=O)NNc1ccc([N+](=O)[O-])cc1	133760666	OGNGFVLZLSWZHS-JTQLQIEISA-N	302.290	1.900	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(OCC)c(OC)c1	192053131	XOWQZMYDKSXAMD-UHFFFAOYSA-N	304.346	1.658	50	20	DDGD	
CCCC[C@H](CC)CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	42842009	BGYLAZTYZGJJAV-JSGCOSHPSA-N	319.471	1.584	50	20	DDGD	
COc1nccnc1NNC(=O)c1c[nH]c(=O)c2ccccc12	190594243	KWKSQGFOAZKRFI-UHFFFAOYSA-N	311.301	1.084	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)NCC(F)(F)F	46916701	AWWVLQFINXESAA-UHFFFAOYSA-N	309.675	1.775	50	20	DDGD	
CCc1[nH]nc(C(=O)NNC(=O)NC2CCCCC2)c1[N+](=O)[O-]	195314631	TYQLYDGLKKGXMB-UHFFFAOYSA-N	324.341	1.157	50	20	DDGD	
O=C(NNc1ncccn1)c1nn(-c2ccc(F)cc2)cc1O	81937408	VITZXXBNAYDUAW-UHFFFAOYSA-N	314.280	1.264	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccc(-n2ccnn2)cc1	191906274	MRKXXAFGMGRFIY-UHFFFAOYSA-N	320.316	1.067	50	20	DDGD	
CCC[C@H]1C[C@H](C(=O)NNc2nc3ccccn3n2)CCO1	191912581	LODKQSFUNSTRKF-NEPJUHHUSA-N	303.366	1.768	50	20	DDGD	
CO[C@H]1CCCN(C(=O)NNC(=O)c2cc3ccccc3o2)C1	94037997	KVCKTOJEFBNTMX-LBPRGKRZSA-N	317.345	1.898	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccccc2O)cc(OC)c1O	252605365	GJSSTHCYCSXISJ-UHFFFAOYSA-N	316.313	1.879	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)NCCC1CC1	266736177	ATKXIUNSPSVWMC-UHFFFAOYSA-N	321.377	1.595	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C(=O)c2c(C)nn(C)c2C)c1	268322974	UPXZIVXNNYMRAA-UHFFFAOYSA-N	320.324	1.511	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H]2CCOC3(CCC3)C2)n1	269314972	KGDCOYMRXCPNHK-NSHDSACASA-N	321.381	1.521	50	20	DDGD	
N#CC1(C(=O)NNC(=O)COc2ccccc2O)CCCCC1	264561364	QVHWXRCOICTJFX-UHFFFAOYSA-N	317.345	1.392	50	20	DDGD	
C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NNc1cnccn1	266996325	IYXJJTGRNZLVKL-SNVBAGLBSA-N	309.370	1.423	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NNc1ccc(C(F)(F)F)nn1	270036482	JBYHJQIAWNCSMO-VOTSOKGWSA-N	301.228	1.382	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)N[C@@H]1CCCc2cn[nH]c21	276835541	HRQPBXPDWNHYBV-SNVBAGLBSA-N	312.337	1.156	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@H]2CCO[C@H](C)C2)c1	271256146	LPVJVCHZUOZQHX-OLZOCXBDSA-N	321.377	1.272	50	20	DDGD	
COC[C@H](NC(=O)NNc1c(F)cccc1F)[C@@H]1CCCO1	279828747	ZHDFPYOGDLAIFY-RYUDHWBXSA-N	315.320	1.785	50	20	DDGD	
CC[C@@H]1C[C@@H](C(=O)NNC(=O)COc2ccccc2O)CCO1	272553205	PRPCXXOBQMKUBN-NWDGAFQWSA-N	322.361	1.124	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NN[C@@H](CC)C(=O)OC)cc1	279673350	DPLODJBTJZLZKK-FZMZJTMJSA-N	324.377	1.425	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CC=C(C#N)CC2)cc(C#N)n1C	273694341	HNXHHLNCZMZHRU-VIZOYTHASA-N	305.341	1.794	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C1CCC1)c1ccc([S@@](C)=O)cc1	270453696	PPCASWHODGTHST-MLMJSJRWSA-N	323.418	1.616	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)CC[C@@H](C)OC)nc1C	272812437	BXINPTHFESSWND-SECBINFHSA-N	310.354	1.220	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(Cl)nn1)n1nnnc1C(C)(C)C	273397149	JRUMJQZMEMWWHH-ZETCQYMHSA-N	324.776	1.118	50	20	DDGD	
C[C@]1(C(=O)NNc2nc(-c3cccnc3)no2)CCCOC1	272695754	HQDPZFWKOZTJKF-AWEZNQCLSA-N	303.322	1.391	50	20	DDGD	
O=C(CN1CC[C@H](C2CC2)C1)NNC(=O)c1ccc(F)cc1	371334979	ICASJDIXGKYQOC-ZDUSSCGKSA-N	305.353	1.319	50	20	DDGD	
O=C(NNc1ccccc1)[C@@H]1COCCN1CC(F)(F)F	287234394	WFFNLQHSFJWQDX-NSHDSACASA-N	303.284	1.393	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccc(C(F)(F)F)nc1Cl	295369085	WNLBMNIYJXKATG-UHFFFAOYSA-N	324.690	1.076	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CC1(F)F	294302388	IQFKMDTXKXFCQF-YUMQZZPRSA-N	302.252	1.396	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNc1cccc(S(C)(=O)=O)c1	295137360	YZRVCLCPJLQHNH-GFCCVEGCSA-N	300.380	1.348	50	20	DDGD	
CC[C@H](C)[C@H](CNC(=O)NNC(=O)c1cccc(C)n1)OC	296895383	NAMZMPMUISKXTH-GWCFXTLKSA-N	308.382	1.395	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)[C@H](C)C2)cc1	802062084	CZGWOSNPNLZSCE-GHMZBOCLSA-N	319.361	1.853	50	20	DDGD	
O=C(CCc1nc2ccccc2[nH]1)NNC(=O)N=c1cc[nH]cc1	802034716	WFOGIWPUBAGPJI-UHFFFAOYSA-N	324.344	1.165	50	20	DDGD	
COc1ccc2c(c1)C[C@@H](C(=O)NNC(=O)CC(C)C)CO2	298307146	NVFQQZJUHPDYRY-GFCCVEGCSA-N	306.362	1.440	50	20	DDGD	
C[C@H]1CSC[C@@H]1NC(=O)NNc1ccc2c(=O)[nH]ccc2c1	807477674	VTGIKWISFYEAMS-ZANVPECISA-N	318.402	1.906	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc2c(c1)CCCN2C(C)=O	299497492	FLIYFVHVXRHJMO-UHFFFAOYSA-N	306.322	1.378	50	20	DDGD	
C=CC(C)(C)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	296157535	SQFWOECERAXIPN-UHFFFAOYSA-N	311.407	1.592	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CO)c(F)cc1Br	806813058	PPIOYZYCSASVCH-UHFFFAOYSA-N	320.118	1.042	50	20	DDGD	
Cc1ccc(F)c(NC(=O)C(=O)NNc2cccc(F)n2)c1	807391526	XBNLJNSAPPEGJD-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
Cc1cccc(C(=O)N[C@H](C(=O)NNc2nnc[nH]2)C(C)C)c1	293795004	CTOCNAZWCWGDEX-LBPRGKRZSA-N	316.365	1.011	50	20	DDGD	
COc1ccc(NNC(=O)c2cccnc2F)c([N+](=O)[O-])c1	807099440	VTIINWLHRUMQPE-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
CC(C)(C#N)c1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)cc1	295598817	PRGIPXAHEBTSEB-AWEZNQCLSA-N	315.373	1.818	50	20	DDGD	
C=CCC(C)(C)C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1	295302125	XVBXYWMZDJNUOK-CHWSQXEVSA-N	311.426	1.235	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](CO)C1CCCC1	290536223	AFPVLXJLMQAUIQ-CQSZACIVSA-N	305.378	1.490	50	20	DDGD	
C[C@H](C(=O)NNc1ccccc1S(=O)(=O)N(C)C)C1CC1	294686209	PWUSAOMYEVUXPP-JTQLQIEISA-N	311.407	1.426	50	20	DDGD	
CC(C)(C)OC(=O)NNS(=O)(=O)c1ccc2c(c1)CCO2	298637832	FSIQNJAMZZKOEY-UHFFFAOYSA-N	314.363	1.340	50	20	DDGD	
CC(C)(C)[C@@H](NC(N)=O)C(=O)NNc1ncnc2ccsc12	298063193	IDRBNSPQYACASD-VIFPVBQESA-N	322.394	1.217	50	20	DDGD	
N#CC1(C(=O)NNc2nccnc2C2CCC2)CCOCC1	805475013	JZRWBMYKGQVATO-UHFFFAOYSA-N	301.350	1.508	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)Cc1cccc(Cl)c1F	810357437	UDZWQTWLGYIWHI-UHFFFAOYSA-N	310.716	1.135	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CCO[C@@H](C(F)(F)F)C1	814854655	QYCICKNQLHOJQD-SNVBAGLBSA-N	323.315	1.505	50	20	DDGD	
O=C(NNC(=O)c1snc(Cl)c1Cl)c1ccccn1	816808756	XRUOULLZMPLDOK-UHFFFAOYSA-N	317.157	1.920	50	20	DDGD	
O=C(NN=C1CC(c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1	814781310	FDWQPHQUAYBHFC-PZORYLMUSA-N	306.387	1.471	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNc1cc(Cl)nc(Cl)c1	819746714	FZMMHDZYGLGACA-QMMMGPOBSA-N	319.192	1.979	50	20	DDGD	
COc1ccnc(NNC(=O)COc2cc(F)cc(F)c2)n1	810090608	SZFSQHVYTOWYIN-UHFFFAOYSA-N	310.260	1.286	50	20	DDGD	
CC(C)C(=O)Nc1cc(C(=O)NNC(=O)c2ccc[nH]2)ccn1	814796745	NMMWZFOKLAVMOH-UHFFFAOYSA-N	315.333	1.079	50	20	DDGD	
CON(CC(=O)NNC(=O)C(C)(C)C)C[C@@H]1CCC[C@@H](C)C1	810137864	YCWLBIIILAKHBI-CHWSQXEVSA-N	313.442	1.870	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H]2CC[C@H](C(N)=O)CC2)nc1	817177022	OZGKUTGMUKXUGL-HAQNSBGRSA-N	305.382	1.308	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@@H]1CCCN(CCc2ccccc2)C1	824627185	JFDMJQWBLMUFKV-OAHLLOKOSA-N	318.421	1.244	50	20	DDGD	
C[C@H]1[C@H](C)CCC[C@H]1NCC(=O)NNC(=O)c1cccs1	727105520	SREPRDHHGQWYFX-GRYCIOLGSA-N	309.435	1.923	50	20	DDGD	
C/C(=C/COC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C)C(=O)O	825745615	ASKALMGLLFGHMG-ZARLMQKNSA-N	313.313	1.686	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)c1ccc(-c2nn[nH]n2)nc1	823280981	KKHVNEVZXSHJJJ-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)Cc1nc(-c2ccc(F)cc2)cs1	823934797	KIESZXDYPDBTJG-SNVBAGLBSA-N	323.393	1.836	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2(CN(C)C)CC2)c(F)c1	823479899	SZMJIQCELGKHBA-UHFFFAOYSA-N	309.341	1.397	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCN(C)C(=O)OC)cc1	822772616	RQSZEFBYTBSXAG-UHFFFAOYSA-N	310.354	1.410	50	20	DDGD	
CCCC(=O)N1CSC[C@H]1C(=O)NNC(=O)OC(C)(C)C	491037475	BHLVSPFLJRNDQK-VIFPVBQESA-N	317.411	1.244	50	20	DDGD	
O=C(CCc1ccccn1)NNc1ccc(-c2nn[nH]n2)cc1	826409249	OQWNBMSLPPJVAJ-UHFFFAOYSA-N	309.333	1.338	50	20	DDGD	
CC1(C)CN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccs1	584990108	ORBRHBHYKYRGIU-AWEZNQCLSA-N	315.203	1.651	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@@H](CO)Cc2ccccc2)cn1	491079502	AOYYJLURJJXEMS-PDEJURLFSA-N	324.384	1.294	50	20	DDGD	
Cc1ccccc1CN(CC(=O)NNC(=O)C(C)C)C1CC1	827527144	YNFRYMNPVLWYEX-UHFFFAOYSA-N	303.406	1.763	50	20	DDGD	
COc1ccc([C@@H](C)CCNCc2ccccc2B(O)O)cc1	585027557	BHOHCFYTGZKPOD-AWEZNQCLSA-N	313.206	1.658	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(F)n1)N(C)C(=O)OC(C)(C)C	496761857	YKBARTPCKSWVQK-VIFPVBQESA-N	312.345	1.919	50	20	DDGD	
OB(O)c1ccccc1CNCCCCCN1CCCCC1	585021967	QQWHLCWAMLDKHF-UHFFFAOYSA-N	304.243	1.112	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc2nc(C)sc2c1	495366700	HIOVECIUVMKTIB-UHFFFAOYSA-N	322.346	1.321	50	20	DDGD	
C[C@@]1(C(=O)N2CCC3(CC2)OCCO3)C[C@@H]1Br	905880943	NIBWPRKGCWUSPY-GXSJLCMTSA-N	304.184	1.525	50	20	DDGD	
C[C@@H](NC(=O)CC(C)(C)C)C(=O)NNC(=O)OC(C)(C)C	495528665	LDSHOEUWABDDDG-SECBINFHSA-N	301.387	1.483	50	20	DDGD	
Cc1cc(C=NNC(=O)CCNC(=O)OC(C)(C)C)n(C)n1	497089432	LQASCSFDASPQTB-UHFFFAOYSA-N	309.370	1.093	50	20	DDGD	
CNC(=O)c1cc2cc(NC(=O)NN(C)C3CC3)ccc2[nH]1	824314911	SIJQDFRYICDPIB-UHFFFAOYSA-N	301.350	1.658	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)N[C@@H]1C[C@H]1C1CCC1	823881187	ZHEOBQFQBAEDQD-NWDGAFQWSA-N	319.361	1.290	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@H]1[C@@H]1CCCOC1)c1ccccc1	825582710	FFHNKLUDCJWYCD-CABCVRRESA-N	317.389	1.932	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1cccc([N+](=O)[O-])c1C)C(C)(C)C	827181065	USTDZNQMWKIKHV-CYBMUJFWSA-N	322.365	1.897	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccn(-c2ccc(Cl)cc2)n1	494113474	NBOOZYSYTAETJX-UHFFFAOYSA-N	308.725	1.917	50	20	DDGD	
C[C@@H](CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)C(C)(C)C	734673306	FLGALRMQOHPBIT-GWCFXTLKSA-N	305.444	1.050	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCc3ccccc3[C@H]2CO)cn1	491086758	VAXNIUFPYQIUJW-XYMPBJBSSA-N	322.368	1.445	50	20	DDGD	
CN(C)c1nccc(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)n1	490977190	SOSYBGHWLXDNKM-LCYFTJDESA-N	323.356	1.472	50	20	DDGD	
O=C(CCc1cccc2c1OCO2)NNC(=O)[C@@H]1CCCCO1	833242231	INFVHNRLQMULHJ-ZDUSSCGKSA-N	320.345	1.064	50	20	DDGD	
N#Cc1cccc(NNC(=O)N[C@H]2C[C@@H]3CCCCN3C2=O)c1	838744710	PWMCFYLJEBMURR-KBPBESRZSA-N	313.361	1.338	50	20	DDGD	
CC(C)c1ocnc1C(=O)NNC(=O)COc1ccccc1F	732050383	TVVHTIMIICLXRB-UHFFFAOYSA-N	321.308	1.777	50	20	DDGD	
Cc1c(NNC(=O)NCCCCC(=O)O)cccc1[N+](=O)[O-]	738306574	UINRBWDSHHZACP-UHFFFAOYSA-N	310.310	1.784	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc2ccncc2s1	833235300	ANUUGPSNCWGZAG-JTQLQIEISA-N	305.359	1.626	50	20	DDGD	
CO[C@H]1CCN([C@@H](C)C(=O)NNC(=O)CC(C)C)CC1(C)C	831547025	GUNXXIQGVWCZEF-STQMWFEESA-N	313.442	1.315	50	20	DDGD	
CN1CC[C@@H](C(=O)NNC(=O)[C@@H]2CCCCO2)c2ccccc21	833246214	FZHVVINFTILANJ-HIFRSBDPSA-N	317.389	1.327	50	20	DDGD	
Cc1ncc2c(n1)CCC[C@H]2NC(=O)NNC(=O)c1ccc[nH]1	734951073	LHTSHIBTVAIYRM-GFCCVEGCSA-N	314.349	1.135	50	20	DDGD	
CCNC(=O)C(C)(C)NC(=O)[C@@H](Br)C(C)(C)C	837266530	BQJRIQUCTXSFGY-MRVPVSSYSA-N	307.232	1.827	50	20	DDGD	
C[C@H]1C[C@@H](C)C[C@H](NC(=O)NNC(=O)N=c2cc[nH]cc2)C1	836320333	YGSUQDMEEOWWKE-PJXYFTJBSA-N	305.382	1.664	50	20	DDGD	
O=C(NCC1CCC(F)(F)CC1)NNC(=O)[C@H]1CCCCO1	836444653	FIUWRZYXTYWSAQ-LLVKDONJSA-N	319.352	1.711	50	20	DDGD	
CCc1ccc(C(C)=NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1	730575437	DBIOIPSZYUSBQA-CQSZACIVSA-N	308.403	1.524	50	20	DDGD	
O=C(NC[C@H]1CCCNC1=O)NNc1cc(F)c(F)c(F)c1	838777973	GHIZGORWBDPUIF-SSDOTTSWSA-N	316.283	1.256	50	20	DDGD	
O=C(NCc1noc(-c2cccs2)n1)NNc1cccnn1	736380925	RQBHTZFIITWBRF-UHFFFAOYSA-N	317.334	1.414	50	20	DDGD	
CCCn1cc(C(=O)NNc2ccc(C(=O)OC)cc2F)cn1	837206449	BZWJVETTWGPELB-UHFFFAOYSA-N	320.324	1.976	50	20	DDGD	
CC(C)(C)[S@@](=O)CCNC(=O)[C@@]1(C)C[C@@H]1Br	906661763	QRYZXVLFEQCMRO-DCVWNHFUSA-N	310.257	1.823	50	20	DDGD	
CN(CCCNCc1cccc(B(O)O)c1)c1cccc(F)c1	585018712	PQGKUXZPZUWDJD-UHFFFAOYSA-N	316.185	1.122	50	20	DDGD	
COC[C@@H](NCc1ccccc1B(O)O)c1ccc(F)c(F)c1	585035922	ZWEDFVYORKHSNC-MRXNPFEDSA-N	321.132	1.122	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccccc1)[C@H](CO)CC(C)(C)C	832093449	DXDWVYHKWBHYRR-AWEZNQCLSA-N	321.421	1.177	50	20	DDGD	
CC(=O)c1cc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)ccc1F	831793266	NYQYXPNDAKHMED-ONGXEEELSA-N	323.324	1.606	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)C[C@@H]2C[C@H]3CC[C@H]2O3)c1	836236569	WKTTUWVJVMQKAH-NWANDNLSSA-N	317.389	1.471	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)C[C@H](C)c1cnn(C)c1	839704898	AEIOTMOXEFOKTJ-ZDUSSCGKSA-N	314.389	1.612	50	20	DDGD	
CC(C)c1ccc(NNC(=O)[C@H]2CN3CCCN2CC3)cc1	837052899	MVNWLWSQRDTRPR-MRXNPFEDSA-N	302.422	1.643	50	20	DDGD	
COCC1CCC(=NNC(=O)CNC(=O)c2cccnc2)CC1	834963046	XLQDCIYUTZJVAQ-UHFFFAOYSA-N	318.377	1.120	50	20	DDGD	
C[C@@H]1CC[C@@H](C)C(=NNC(=O)CNC(=O)c2cccnc2)C1	834962831	WRBLSHDBWHKUKZ-VXGBXAGGSA-N	302.378	1.740	50	20	DDGD	
COc1cc(C)ccc1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	831347217	RDEYIYVYYUCKAO-QWRGUYRKSA-N	307.350	1.581	50	20	DDGD	
CCOCCCN1CCC(=NNC(=O)c2cnn(C)c2)[C@@H](C)C1	735413862	SNLHIJUTXJUQHT-ZDUSSCGKSA-N	321.425	1.274	50	20	DDGD	
COC1(CNC(=O)NNC(=O)c2cccc(C#N)c2)CCCC1	836276123	FOYSFXZHIVPLNS-UHFFFAOYSA-N	316.361	1.461	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1cn(C)nc1-c1ccncc1	588616009	MTVNLMKJKDAAOA-JYRVWZFOSA-N	317.374	1.238	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](COC)C(=O)O)cc1	833663433	JGXOBRFIQKTYAB-UNJUUPHPSA-N	318.329	1.208	50	20	DDGD	
COc1ccnc(NNC(=O)CCc2nc3ccccc3o2)n1	914762885	XMPWINQGLVQUNK-UHFFFAOYSA-N	313.317	1.702	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NNC(=O)C2=CC[C@H](C)CC2)c1	839709612	NAFMLCHWPSHEHQ-JTQLQIEISA-N	316.361	1.547	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccccc2)n2nc(C)cc2n1	916742424	JXJWUFCPGIKYHZ-UHFFFAOYSA-N	309.329	1.421	50	20	DDGD	
O=C(CC(F)(F)F)NN=C1CCS(=O)(=O)c2ccccc21	917550343	DBNUFCCFCHJNIB-UHFFFAOYSA-N	320.292	1.637	50	20	DDGD	
C#CCO[C@H](C)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	830614269	CSSOGSDAUIAAGT-GHMZBOCLSA-N	324.764	1.293	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]32)n1	831881902	MJYBKOGJFCRIOY-UTUOFQBUSA-N	318.377	1.228	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cn1	918182773	BNGBJJCZKJRWEU-UHFFFAOYSA-N	314.301	1.302	50	20	DDGD	
CCO[C@H](CCNC(=O)NNC(=O)[C@@H]1CCCCO1)C(C)C	836337836	WURPTZSXLALGIR-OLZOCXBDSA-N	315.414	1.337	50	20	DDGD	
O=C(NCCc1ccccc1[N+](=O)[O-])NNC(=O)c1ccc[nH]1	745882979	ZOCLICKSXOZGSG-UHFFFAOYSA-N	317.305	1.110	50	20	DDGD	
COC(=O)[C@@H](O)C1CCN(/C(=C\C#N)c2ccccc2)CC1	749534776	CMBJBMBQFBOBCW-UJPCXNRSSA-N	300.358	1.797	50	20	DDGD	
O=C(NCCOCC(F)(F)F)NNc1ccc(Cl)nn1	916325782	HYMHJLKVZXXSHC-UHFFFAOYSA-N	313.667	1.335	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cccc(OC(F)F)c1	748260463	UAVOLKBTHIVHFB-SNVBAGLBSA-N	316.304	1.790	50	20	DDGD	
O=C(NNc1ccccc1F)c1ccc(-c2nc(=O)o[nH]2)cc1	749260764	WDFCVFMQVRPJEM-UHFFFAOYSA-N	314.276	1.926	50	20	DDGD	
CCN1CCN(C[C@@H](C)CNC(=O)NNc2ccccc2)CC1	745863546	WVWXPIRLHPIHRO-HNNXBMFYSA-N	319.453	1.586	50	20	DDGD	
O=C1C[C@@H](CNC(=O)NNc2ccc(Cl)cc2Cl)CN1	840399372	PGXJWIJJEFIBHP-SSDOTTSWSA-N	317.176	1.756	50	20	DDGD	
COc1ccc2cc(C(=O)NNC(=O)CC(F)(F)F)[nH]c2c1	918366866	FVVUPUKQXNGQJK-UHFFFAOYSA-N	315.251	1.890	50	20	DDGD	
Cc1ccc(NCC(=O)NN=C2C[C@@H](C)n3ncnc32)c(C)c1	841611311	RSFQXBUSNXYQEK-GFCCVEGCSA-N	312.377	1.792	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CN(C)c1ncnc2[nH]cnc12	848081473	ZLZUKUJMBWVATB-UHFFFAOYSA-N	317.180	1.051	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)C2=COCCO2)c(Cl)c1	743824916	IPWUHSOUMUUOTR-UHFFFAOYSA-N	311.725	1.689	50	20	DDGD	
Cc1csc(C(C)(C)NCC(=O)NNC(=O)C(C)(C)C)n1	744403417	OBWSTLKPFNWDAH-UHFFFAOYSA-N	312.439	1.470	50	20	DDGD	
Cc1cccc(C)c1NCC(=O)NNc1ccnc(N(C)C)n1	746691248	CTAFDYOHJIRZFF-UHFFFAOYSA-N	314.393	1.715	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1c(C)nn(C)c1C	916296102	RJUPDFCCPBXGGV-UHFFFAOYSA-N	316.361	1.575	50	20	DDGD	
CCCNC(=O)NNC(=O)Cc1c(C)nc([C@H](C)CC)nc1C	847393732	HLTJRWAEHLJHQN-SNVBAGLBSA-N	321.425	1.890	50	20	DDGD	
COCC[C@H](C)CNC(=O)NNC(=O)Cc1ccccc1OC	840399461	OGMKNUIDXQCXCW-LBPRGKRZSA-N	323.393	1.241	50	20	DDGD	
CC(C)Nc1ncccc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843979884	QQIJXUDJZCETEY-MNOVXSKESA-N	306.366	1.088	50	20	DDGD	
C[C@@H]1NC(=O)[C@H](C)N(C(=O)/C(C#N)=C/c2ccc(O)cc2)[C@@H]1C	911799669	KIBNISPOJFNJSX-CVRKNLCKSA-N	313.357	1.423	50	20	DDGD	
CCCC[C@H](CN)NC(=O)NNC(=O)CCc1ccccc1	841957494	KPQZZZXEVDQCKE-CQSZACIVSA-N	306.410	1.467	50	20	DDGD	
Cc1nn(C(C)C)c(C)c1CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843661826	QIYONIPTULFZOU-OLZOCXBDSA-N	322.409	1.196	50	20	DDGD	
Cc1cc(C)n([C@H](C)CC(=O)NNC(=O)[C@H]2CCO[C@H]2C)n1	843640989	AXAJMRFQYFFVSV-AGIUHOORSA-N	308.382	1.023	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CCC2CCOCC2)c1	742638720	KTFRXXUEJTXYLK-UHFFFAOYSA-N	301.346	1.526	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@H]1CCCN1Cc1ccc(F)cc1	910164854	ZQNMCZWAGUYYCM-IUODEOHRSA-N	309.385	1.134	50	20	DDGD	
CCS(=O)(=O)CCNC(=O)NNc1ccc(F)c(F)c1	916530549	VVHBDSYOFIAHCL-UHFFFAOYSA-N	307.322	1.026	50	20	DDGD	
C[C@H](Cc1cnc[nH]1)C(=O)NNC(=O)CCCc1ccccc1	847432290	HNJWXUZHVHKVGE-CYBMUJFWSA-N	314.389	1.759	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(C)C[C@@H]2CCCOC2)c1	745984381	QGOXOFHYFVAKLF-AWEZNQCLSA-N	319.405	1.114	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1ccc(OC)cc1F	740762419	PZSCQINEMOLKCN-UHFFFAOYSA-N	323.368	1.979	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1ccccc1[N+](=O)[O-]	916362022	HECUXTNLHJJFBF-LBPRGKRZSA-N	320.349	1.013	50	20	DDGD	
O=C(NC[C@@H]1CCC[C@H]1C1CC1)NNC(=O)[C@H]1CCCCO1	840393142	UIHDBOMUWUAKGO-MELADBBJSA-N	309.410	1.712	50	20	DDGD	
COC/C(C)=C\C(=O)NNC(=O)c1ccc(OC)cc1OC	844377882	KBHZGCZCVZMVFZ-YFHOEESVSA-N	308.334	1.058	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=Cc2cnc3cnccn23)c1	746370675	NJJZMVDPGNOXOS-UHFFFAOYSA-N	308.345	1.559	50	20	DDGD	
O=C(NNc1ncccc1C(F)(F)F)c1nccn2ccnc12	743482372	ISJAEOBCQJWFLI-UHFFFAOYSA-N	322.250	1.900	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)CCc1cnn(C)c1C	846641642	KMUMKXPHIZUEAD-UHFFFAOYSA-N	306.341	1.952	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)[C@@H]2CCc3nnnn3CC2)c1	845857180	RBEYIRYEFWSTPY-SNVBAGLBSA-N	304.329	1.216	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN(Cc2ccccc2)C1)C1CCCC1	847336427	JPXRAVLPTCPUFK-MRXNPFEDSA-N	315.417	1.846	50	20	DDGD	
CCCC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1	920382444	XZIHJWPYGGRMLU-CYBMUJFWSA-N	323.418	1.677	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1(c2ccc(F)cc2)CCC1	843647810	ZVIASZQJDLWSBM-SMDDNHRTSA-N	320.364	1.820	50	20	DDGD	
C[C@H]1CC(=NNC(=O)C(=O)NCc2ccc(Cl)cc2)CO1	842529988	DOGXADPAMOJTBN-VIFPVBQESA-N	309.753	1.237	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	841021943	MZJVHPNPOFNSPG-CQSZACIVSA-N	322.361	1.280	50	20	DDGD	
CCN1CCC(=NNC(=O)[C@H]2COc3ccccc3O2)[C@@H](C)C1	741454246	YGDWMOOLWMEIQR-BLLLJJGKSA-N	317.389	1.660	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1ncccc1C	749864148	HTLQORUELMAPDV-UHFFFAOYSA-N	315.329	1.239	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(C2CC2)nc2onc(C)c12	921040746	BLHLDVWYMZYZSB-UHFFFAOYSA-N	317.349	1.763	50	20	DDGD	
COc1cc(Cl)c(F)c(C(=O)NNC(=O)NCC2CC2)c1	840287990	CUMIHMKPGQLDNC-UHFFFAOYSA-N	315.732	1.842	50	20	DDGD	
NC(=O)[C@H]1CC[C@H]1C(=O)NNc1ccccc1Br	847599550	IEVBWGBCWQVTGH-JGVFFNPUSA-N	312.167	1.404	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccc(-n2cncn2)cc1	842553162	DQTBUSDKYIRQHJ-IUODEOHRSA-N	313.361	1.533	50	20	DDGD	
O=C(NN=C1CCc2c(O)cccc21)C(=O)Nc1ccccn1	758388057	UTBSXMYPWABZMO-UHFFFAOYSA-N	310.313	1.192	50	20	DDGD	
Cc1cc(CNC(=O)NC[C@]2(C)C[C@H]2Br)no1	856825758	BZTJWKOAFGGYLR-KOLCDFICSA-N	302.172	1.956	50	20	DDGD	
Cc1nc2cccc(C(=O)NNC(=S)N[C@H](C)C3CC3)c2[nH]1	855097796	YAJBEMHECXEPGI-MRVPVSSYSA-N	317.418	1.779	50	20	DDGD	
COc1ccn2c(C(=O)NNC(=O)CC(F)(F)F)cnc2c1	854997596	PBURUAJYVFOLRA-UHFFFAOYSA-N	316.239	1.056	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNC(=O)c1cccc(Cl)n1	857324025	ADXHRLYLGUQWOB-MRVPVSSYSA-N	313.741	1.085	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)Cc2cc(C)[nH]n2)C[C@H]1C	758098667	SLEYMTZBNKGKFN-YGRLFVJLSA-N	320.393	1.732	50	20	DDGD	
CCc1ncc(C(=O)NN(C)C(=S)NCCCOC)s1	854281021	NCQDRUHMSDEJMK-UHFFFAOYSA-N	316.452	1.193	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)c2cc3c(s2)CCC3)[nH]1	856760505	VRVUIVSGTPSSJP-UHFFFAOYSA-N	304.375	1.652	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)COC(=O)CC1(C)CC1	758810634	QHCVUUSBLBLPDH-UHFFFAOYSA-N	318.373	1.418	50	20	DDGD	
Cc1nnc(NNC(=O)CC[C@@H](C)c2ccccc2)nc1O	750530188	JIWBCONORAEUCR-SNVBAGLBSA-N	301.350	1.913	50	20	DDGD	
CN(C)C(=O)COc1ccccc1C=NNC(=O)C1CCCC1	920372595	SBWVRPZUWKDUEY-UHFFFAOYSA-N	317.389	1.794	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccn(Cc2ccccn2)n1	756648627	WQESVXKFDBVOIO-UHFFFAOYSA-N	316.365	1.525	50	20	DDGD	
CCS(=O)(=O)C[C@H](C)NC(=O)NNc1ccc(Cl)cn1	852193443	OJENXXKLYZQPKH-QMMMGPOBSA-N	320.802	1.184	50	20	DDGD	
CON1CCC(=NNC(=O)CCCNC(=O)C(C)(C)C)CC1	853408831	YKMPUJIJANFPEX-UHFFFAOYSA-N	312.414	1.058	50	20	DDGD	
COc1ccc(F)cc1NC(=O)NNC(=O)c1c[nH]nc1C	757853101	DEGHTQSPCGMQFS-UHFFFAOYSA-N	307.285	1.332	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1CCc2c[nH]nc2C1	758835397	ZLXKLPIXGYXBQH-LBPRGKRZSA-N	313.361	1.220	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H]1CCCC[C@@H]1C	854285992	KVFYKMXZXUGSNL-NWDGAFQWSA-N	301.456	1.687	50	20	DDGD	
CO[C@H]1CN(S(=O)(=O)c2ccc(CCCl)cc2)CCO1	859123523	FGHSYDIPQCMZGW-CYBMUJFWSA-N	319.810	1.461	50	20	DDGD	
NC(=O)N1CCCN(C[C@H](CBr)C2CC2)CC1	859114526	HUBMKLQILVCGFT-NSHDSACASA-N	304.232	1.494	50	20	DDGD	
COCn1ccc(C(=O)NNc2cccc(C(=O)OC)c2C)n1	855624974	XUHDDJGCSJEJQU-UHFFFAOYSA-N	318.333	1.339	50	20	DDGD	
O=C(Cn1cc(C2CC2)cn1)NNc1ncccc1[N+](=O)[O-]	857151876	OAUMZODVZJCMCZ-UHFFFAOYSA-N	302.294	1.207	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1c(OC)cccc1OC	755737674	ATGXYCYZPXDPAL-UHFFFAOYSA-N	321.377	1.459	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(C3CC3)nn2C)nc1	935106968	KYBAHHWCUBQQHQ-UHFFFAOYSA-N	315.333	1.236	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCc2n[nH]cc2C1	855623234	WZYISAPBSIMJCE-MRVPVSSYSA-N	319.296	1.705	50	20	DDGD	
COc1cc(CN(C)CC(=O)NNC(=O)C(C)(C)C)ccc1O	750042361	WNAQQHFRFCMVRP-UHFFFAOYSA-N	323.393	1.026	50	20	DDGD	
Cn1cc(NC(=O)NNC(=O)c2cc3c(s2)CCC3)cn1	755492563	GCECPQMRDZNBRG-UHFFFAOYSA-N	305.363	1.437	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)CCCCF)C[C@H]1Br	856752489	KBNXWRZVXLEOBD-BDAKNGLRSA-N	302.209	1.829	50	20	DDGD	
O=C(CCN1CCCC1=O)OC[C@@H](CBr)C1CC1	859541740	NCMGSMGOEXNLST-LLVKDONJSA-N	318.211	1.963	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=C1CC[C@@H]1c1ccccc1	769789986	JRIPQINBYVNYCB-GFCCVEGCSA-N	312.329	1.480	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)n1	862524790	VFHHREGYGTUATD-GFCCVEGCSA-N	314.345	1.475	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN(CC(F)F)C1)C1CCCC1	864845466	VRIHCOQPGUMXBB-NSHDSACASA-N	303.353	1.301	50	20	DDGD	
CC(C)(CNC(=O)OC(C)(C)C)CC(=O)NN=c1cc[nH]cc1	935292093	DNHQUIFRAPWSAC-UHFFFAOYSA-N	322.409	1.888	50	20	DDGD	
Cn1nc(C(=O)NN=CC[C@H]2CCOC2)c2ccccc2c1=O	765560827	WQIZVZJABBSAJW-NSHDSACASA-N	314.345	1.076	50	20	DDGD	
CCO[C@@H]1COCC[C@H]1NC(=O)NNc1c(F)cccc1F	760129420	YQMJDBNFEZFXSO-VXGBXAGGSA-N	315.320	1.785	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2cc(C)cs2)c(C)nn1	862477405	LNTGFLCPTCPZDC-UHFFFAOYSA-N	304.375	1.792	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1c2c(nn1C)CCCC2	764583822	MMJLBSZDLBSLGT-UHFFFAOYSA-N	312.373	1.682	50	20	DDGD	
C[C@@H](NNC(=O)c1cc(-c2cccnc2)on1)C(F)(F)F	862309610	NONFJDKSZKQNRP-SSDOTTSWSA-N	300.240	1.922	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1	864430502	ZHWJPOSJAUYFNK-VXGBXAGGSA-N	321.377	1.691	50	20	DDGD	
CC(C)(C)c1[nH]cnc1C(=O)NNC(=O)c1ccc(Cl)nc1	864902104	FHDNBCXVQOZIKY-UHFFFAOYSA-N	321.768	1.830	50	20	DDGD	
CC(Cc1ccncc1)=NNC(=O)[C@H]1COc2ccccc2O1	767747583	YHRXVBZNCSDPMA-MRXNPFEDSA-N	311.341	1.956	50	20	DDGD	
C[C@H](C(=O)NNc1ncc(Cl)cc1Cl)[C@@H]1CCC(=O)N1	860937034	QEWGAKMPUGIDKX-RCOVLWMOSA-N	317.176	1.746	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCN2C(C)(C)C)cc1	862993321	NSXPEFANDNCIAC-AWEZNQCLSA-N	319.405	1.394	50	20	DDGD	
CCOC(=O)[C@@H](C)[C@H](C)NS(=O)(=O)CC(C)(C)CCl	867097245	UWILXSVSTYZHBG-UWVGGRQHSA-N	313.847	1.759	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)OCc1nnnn1C1CC1	766752286	PLLXGBSRLZKNEZ-VIFPVBQESA-N	317.187	1.861	50	20	DDGD	
O=C(NN=Cc1cccc(CC2CCC2)c1)[C@@H]1COCCO1	872353593	MTPHKWAXMMDGCJ-INIZCTEOSA-N	302.374	1.895	50	20	DDGD	
CC1=NO[C@H](C(=O)NNC(=S)Nc2ccc(C)c(C)c2)C1	873761791	IEMJFZACMYRYTD-LBPRGKRZSA-N	306.391	1.786	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cc(CN(C)C)on2)n1	1116574311	TZZDYKMDGQHJCD-UHFFFAOYSA-N	310.745	1.245	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ccc3c(c2)COC3)c1Cl	1116292559	NIEQTEPNPGSXGH-UHFFFAOYSA-N	305.725	1.499	50	20	DDGD	
C=CCNC(=S)NNC(=O)CC1CCN(CC(F)F)CC1	873765458	LEEKIUVRNRNHEN-UHFFFAOYSA-N	320.409	1.035	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2cn3ccccc3n2)cc1O	1116502502	VGRBHCPDNFRMLJ-UHFFFAOYSA-N	324.340	1.352	50	20	DDGD	
Cc1ccnc2c(S(=O)(=O)NNC(=O)C(C)(C)C)cccc12	777607722	JWNRPLJXYMUOMG-UHFFFAOYSA-N	321.402	1.899	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)Nc1ccc2c(c1)OCCO2	877894422	MLSXSHMHIPKOAM-UHFFFAOYSA-N	321.333	1.037	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)[C@H]2CCC=CO2)cc1	874953260	ZSNXNMGOFFEPRN-CYBMUJFWSA-N	320.418	1.763	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1ccccc1C(C)(C)C	877939460	OLUIGBLUWXMHOT-UHFFFAOYSA-N	323.393	1.800	50	20	DDGD	
CS[C@@H](C)CNC(=O)NNC(=O)c1nc2ccccc2s1	872949324	IGJDRTUAMJWQKP-QMMMGPOBSA-N	324.431	1.992	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@H](C)Cc2cccc(O)c2)cc[nH]1	875138510	JXXCHXUXUDQOGA-GFCCVEGCSA-N	300.362	1.775	50	20	DDGD	
COC(=O)Cn1cccc1C=NNC(=O)c1c[nH]c2ccccc12	776183886	RNLROJYAMKRNFP-UHFFFAOYSA-N	324.340	1.906	50	20	DDGD	
CCN(CCNC(=O)NN(C)C(=O)OC)c1cccc(C)c1	875004780	DMYREGRKQVQXAE-UHFFFAOYSA-N	308.382	1.734	50	20	DDGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)C2(O)CCC2)cc1	874949580	VSRLALBQHURFRO-UHFFFAOYSA-N	323.418	1.706	50	20	DDGD	
CC(CCc1c[nH]c2ccccc12)=NNC(=O)[C@@H]1CCC(=O)N1	872392454	LVOYFEMOWTUCKY-HNNXBMFYSA-N	312.373	1.871	50	20	DDGD	
Cc1cc(=NNC(=O)NCCCN(C)c2ccccc2)cc[nH]1	875004721	VQTJDHDQSADMFL-UHFFFAOYSA-N	313.405	1.965	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccc(N(C)C)nc1	772816132	PONBIANOVVJWDB-UHFFFAOYSA-N	300.366	1.818	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](F)Cc2ccccc2)n1	778302436	HSSRZIZTDJZTQB-GFCCVEGCSA-N	304.325	1.818	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cc([N+](=O)[O-])cnc1O	774854533	WJZNJKIEGCELCG-UHFFFAOYSA-N	318.293	1.366	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCO2)c1ccc(C(=O)O)o1	772997972	NJXOJKVBWTVUAI-UHFFFAOYSA-N	316.269	1.861	50	20	DDGD	
CN(C)Cc1cc(NC(=O)NNC(=O)CC2CCCC2)ccn1	880611822	DDRUAEACCKJJMM-UHFFFAOYSA-N	319.409	1.876	50	20	DDGD	
CO[C@@H]1Cc2ccc(NC(=O)NNc3ncc(F)cn3)cc2C1	775751921	RIKQIMLNCRZQDR-CYBMUJFWSA-N	317.324	1.878	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(-n3ccnc3)nn2)cc1	788179761	ZJHJWADLOPVBDD-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
O=C1Nc2ccccc2C[C@@H]1NS(=O)(=O)CCCCl	882454386	YXNWWGMUOCTORE-NSHDSACASA-N	302.783	1.098	50	20	DDGD	
C[C@H]1CCC[C@H]([C@H](C)NC(=O)NNC(=O)c2cccnn2)C1	883684476	IKGUIGKBTCNSKX-SRVKXCTJSA-N	305.382	1.635	50	20	DDGD	
COC(=O)COc1c(C)cc(C=NNC(=O)C(C)(C)O)cc1C	785465168	CHPAYYKKQDSTTN-UHFFFAOYSA-N	322.361	1.076	50	20	DDGD	
COc1cc(C=O)ccc1OCC(=O)NNc1ccnc(F)c1	781358184	BTZNAAJVUQSIPW-UHFFFAOYSA-N	319.292	1.564	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)C1CCOCC1)c1ccccc1	883704871	VFXWGXWVIVKQKO-AWEZNQCLSA-N	301.346	1.118	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NNc2c(F)cc(F)cc2F)C1	885149714	ZJZFEMZQZYGXRI-VIFPVBQESA-N	315.295	1.806	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)N[C@H](c1cccs1)C1CC1	883089427	JVSFOOMATRLTIX-LBPRGKRZSA-N	317.374	1.633	50	20	DDGD	
Cc1ccn(C)c1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	784295277	FECCIUNCWIUPPE-NSHDSACASA-N	309.366	1.072	50	20	DDGD	
O=C(CCCn1ccccc1=O)NNc1ncncc1Cl	781822578	BNWYCHSMUDUJLP-UHFFFAOYSA-N	307.741	1.215	50	20	DDGD	
CO[C@@H](C)C(=O)Nc1cccc(NC(=O)NNC(=O)C(C)C)c1	782563531	KLMAZNFXXDXOMG-JTQLQIEISA-N	322.365	1.469	50	20	DDGD	
C[C@](O)(CC(=O)NNC(=O)c1ccccc1F)c1ccccc1	780849479	YLLKMNFDGQPSIJ-KRWDZBQOSA-N	316.332	1.885	50	20	DDGD	
CCc1ncsc1NC(=O)C(=O)NNc1ccc(F)cc1	784785620	ZXOVCFSXVTVJMI-UHFFFAOYSA-N	308.338	1.926	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cc3[nH]ccc3cc2C)ncn1	783948888	UXUVZKLCLZJMGC-UHFFFAOYSA-N	324.344	1.657	50	20	DDGD	
CC(C)OCCCC(=O)NNC(=O)c1ccc2c(c1)OCO2	784584004	BQXSLQAKRINMPR-UHFFFAOYSA-N	308.334	1.382	50	20	DDGD	
O=C(CCSCc1ccccn1)NNC(=O)C1CCOCC1	894103770	PIWOQRCBOMLUFX-UHFFFAOYSA-N	323.418	1.279	50	20	DDGD	
C[C@H]1C[C@@H](CC(=O)NNC(=O)N2CCN(C)CC2)CC(C)(C)C1	788165772	GVKCBJNWGWKRTP-KBPBESRZSA-N	324.469	1.827	50	20	DDGD	
COC(=O)N(C)N=C1CCS(=O)(=O)c2ccc(F)cc21	794963659	BUYQYFFMTCAJOE-UHFFFAOYSA-N	300.311	1.405	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)Cc1cn2ccccc2n1	793600101	QLQBBSJOXUYUEZ-XHDPSFHLSA-N	318.377	1.085	50	20	DDGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)CC(C)(C)O)c1C	792638653	HEEMFSRNUWLTKS-UHFFFAOYSA-N	315.377	1.760	50	20	DDGD	
COc1cccc(C=NNC(=O)[C@@H](C)CN2CCC(C)CC2)n1	790148607	BMRMGIFNIXCTQW-AWEZNQCLSA-N	318.421	1.908	50	20	DDGD	
O=C(NNc1ncccc1F)[C@@H]1CCCN(CC(F)F)C1	1329510766	YQAUUORPNYPIFM-SECBINFHSA-N	302.300	1.641	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1c(C)nc2sccn12	1321502209	YULGFZRAMRTFMS-UHFFFAOYSA-N	300.347	1.648	50	20	DDGD	
CC(C)CN(CC(=O)NNC(=O)c1ccc(F)cc1)C1CC1	1325510056	HKRAMENHSZFFTC-UHFFFAOYSA-N	307.369	1.707	50	20	DDGD	
O=C(NNC(=O)C(F)(F)c1ccccc1F)C1CCNCC1	1329093064	FKXDDMLFINJBQF-UHFFFAOYSA-N	315.295	1.065	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H](C)N1[C@@H](C)CC[C@H]1C	1320823654	VMBVFQZJEJJLES-OUAUKWLOSA-N	318.512	1.106	50	20	DDGD	
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1327771995	XXVGTCIIYOGTKJ-ZYHUDNBSSA-N	320.393	1.253	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1cccc(C(=O)OC)c1	1323857717	PUXUAGHEBUANBM-RVDMUPIBSA-N	316.357	1.923	50	20	DDGD	
COCC(=O)NCCC(=O)NNc1ccc(Cl)c(F)c1	1320012414	WETGKJQAIHAJSZ-UHFFFAOYSA-N	303.721	1.075	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)NC[C@H]2C=CCC2)C[C@@H]1Br	1338780748	YRUGNTXISHGGQO-OUJBWJOFSA-N	315.211	1.359	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=O)c2cccc(Cl)n2)c1C	1339077787	OMDKPBOYTBCDQE-UHFFFAOYSA-N	321.768	1.725	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Nc2nnc(C)s2)cc1	1254721090	IADIEZUHWJACMK-UHFFFAOYSA-N	307.335	1.322	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2CNCCC2(F)F)C[C@H]1Br	1331343462	IADOXDASWIEVME-NQMVMOMDSA-N	311.170	1.521	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@]2(F)CCOC2)cc1F	1330806020	UJLSSLIQNQPIME-CYBMUJFWSA-N	300.261	1.184	50	20	DDGD	
COc1cc2c(cc1OC)C(=NNC(=O)CCO)CCCC2	1332320965	ZQDKWLVWWFPVQD-UHFFFAOYSA-N	306.362	1.633	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)/C=C/c2scnc2C)cc1	1333008648	MUWDYISTFOTJHL-BQYQJAHWSA-N	317.370	1.935	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(O)c2ccsc2c1	1261272544	KHWXSFYXXPYMOJ-GFCCVEGCSA-N	320.370	1.937	50	20	DDGD	
Cn1cncc1C1CCN(C(=O)NNC(=O)C2CCCC2)CC1	1340865150	NUTGZPWFADSYPV-UHFFFAOYSA-N	319.409	1.531	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)n1cccc1	1342483374	PFLWTSSJHCWHFN-LLVKDONJSA-N	324.381	1.111	50	20	DDGD	
O=C(CCc1ccc(O)nc1)NNC(=O)OCC(F)(F)F	1351094870	JUSIDDWMPJHDHZ-UHFFFAOYSA-N	307.228	1.040	50	20	DDGD	
C[C@@H](CN(C)C(=O)NNC(=O)c1cn[nH]c1)C1CCCCC1	1351351403	DOQGAWWUSUYOIT-NSHDSACASA-N	307.398	1.912	50	20	DDGD	
C[C@@]1(C(=O)Nc2ccn(CC(=O)O)n2)C[C@H]1Br	1604490127	NUEJFNPWKITCGD-LHLIQPBNSA-N	302.128	1.080	50	20	DDGD	
COC1(C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCCC1	1605015097	ZQQFTQHFILPLOT-UHFFFAOYSA-N	302.338	1.269	50	20	DDGD	
O=C(NCc1ccc(C(=O)O)s1)NNC(=O)c1ccccc1	1608466345	NZZXACVZHJEACH-UHFFFAOYSA-N	319.342	1.591	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)c1ccc(-c2nn[nH]n2)[nH]1	1606855728	DXRYBRRXMVFGBC-UHFFFAOYSA-N	305.248	1.230	50	20	DDGD	
C[C@]1(CNC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)C[C@@H]1Br	1604576916	BNZGRDDNNPADSZ-JDVQERKKSA-N	319.199	1.712	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNc1ccc(C(=O)O)cc1OC	1602940098	JWAXOSVBLHNGIP-PWSUYJOCSA-N	306.318	1.428	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)Nc1ccc(C(=O)O)cc1	1600589622	BGCOZOGULHSQFC-UHFFFAOYSA-N	314.301	1.555	50	20	DDGD	
O=C(NCCC1CCC1)NNc1ccc(-c2nn[nH]n2)cn1	1606761675	RGUYEKLBFIELGQ-UHFFFAOYSA-N	302.342	1.078	50	20	DDGD	
O=C(CCc1ccccc1C(=O)O)NNC(=O)C1CCCC1	1601291222	IKYILJPVDYODKW-UHFFFAOYSA-N	304.346	1.655	50	20	DDGD	
CC(=O)c1ncc(C(=O)NNc2ccc(C(=O)O)cc2F)s1	1603125933	HEWTUENWLUAXPY-UHFFFAOYSA-N	323.305	1.940	50	20	DDGD	
O=C(NCCc1ccns1)NNc1cccc(C(=O)O)c1F	1601513598	UWJPICNSQCJKRM-UHFFFAOYSA-N	324.337	1.849	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NNc2ccccc2C(=O)O)cn1	1600944690	BMWRUMKZCYLRJO-IZZDOVSWSA-N	311.301	1.169	50	20	DDGD	
C[C@H]1CSC[C@H]1NC(=O)NNc1ccc(F)c(C(=O)O)c1	1604824369	ZVWXAOVMVGQLTB-WRWORJQWSA-N	313.354	1.902	50	20	DDGD	
Cn1cc(C=NNC(=O)[C@@H]2CCCO[C@@H]2c2ccccc2)nn1	1549083811	NMKZSPFMRKCBBN-HUUCEWRRSA-N	313.361	1.433	50	20	DDGD	
Cc1cc(C)cc(CC=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)c1	1549904959	OKAYSFIYRJNOOX-DLBZAZTESA-N	315.417	1.811	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1ccc(C(=O)O)o1	1610367569	BHVPUYRBVQWEMQ-UHFFFAOYSA-N	318.285	1.516	50	20	DDGD	
O=C(NN=Cc1ccc2ccccc2n1)[C@H]1CN2CCC[C@@H]2CO1	1549318709	QUIFDZWJSUXENA-NVXWUHKLSA-N	324.384	1.548	50	20	DDGD	
Cn1cc(C(=O)NN=C[C@H]2CCCO[C@@H]2c2ccnn2C)cn1	1552449989	RXFVPMUZQSTKMQ-RISCZKNCSA-N	316.365	1.037	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NNc1ncccc1C(=O)O	1574382413	RNGCRQGRUXJRIP-UHFFFAOYSA-N	316.273	1.753	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCCCC12CCNCC2	1579839619	OAEMBUSQAFMJIV-ZDUSSCGKSA-N	319.409	1.039	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)[C@H](N)c2ccccc2)nc(N)n1	1579636286	ZQPNYJYVCRFUNH-GWCFXTLKSA-N	300.366	1.146	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc2c(=O)[nH]ccc2c1)c1cnn[nH]1	1575645058	CLUKIFCRRFRNQK-MRVPVSSYSA-N	313.321	1.034	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)c1cc([C@@H]2CCNC2)[nH]n1	1580739764	NBYFQTXRMZYYQK-MRVPVSSYSA-N	306.757	1.292	50	20	DDGD	
NCc1ccc(NC(=O)NNC(=O)c2cccc(Cl)n2)cc1	1580339123	DWSWBXIQPHSBHG-UHFFFAOYSA-N	319.752	1.660	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1ccc(F)c(C(=O)O)c1)[C@@H]1CCCO1	1588373413	FWIJQJJLDICXMJ-OLZOCXBDSA-N	321.308	1.331	50	20	DDGD	
O=C(C1CC(F)(F)C1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](F)Cl	1847329513	GETLBWDQMFPMKQ-LPEHRKFASA-N	324.730	1.768	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)COCC)C1	1842692220	ZTDODTGLVXVMGN-LBPRGKRZSA-N	316.829	1.634	50	20	DDGD	
Cn1c(C(=O)NNc2ncccc2Cl)ccc1-c1nn[nH]n1	1592549477	FAQGMYFEZMLZMN-UHFFFAOYSA-N	318.728	1.011	50	20	DDGD	
Cc1cc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)nc(C)n1	1591930004	JEOOEHUETVXQGH-UHFFFAOYSA-N	310.321	1.030	50	20	DDGD	
C[C@H](NNC(=O)[C@]1(C(=O)O)C[C@H]1c1ccccc1)C(F)(F)F	1593318832	KYHLQQORIOYHEX-FWDPORAESA-N	316.279	1.817	50	20	DDGD	
C[C@H](CC=NNC(=O)CNC(=O)OCc1ccccc1)C(=O)O	1592464251	NAGHDMBOQADFKW-LLVKDONJSA-N	321.333	1.126	50	20	DDGD	
N#C/C(=C/c1cccc(-c2nn[nH]n2)c1)C(=O)NCc1ccco1	1592662513	PSQOAPOEVXTPQL-JYRVWZFOSA-N	320.312	1.683	50	20	DDGD	
CCc1nc(C)ncc1C(=O)NNc1ccc(F)c(C(=O)O)c1	1597664086	ZTPQWUGPGAGJTF-UHFFFAOYSA-N	318.308	1.942	50	20	DDGD	
CCn1c(NNC(=O)C[C@H]2CCCN2)nc2ccccc2c1=O	150743492	UDUNFGOKCILHNH-LLVKDONJSA-N	315.377	1.002	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1c(C(C)C)nn(C)c1Cl	162186147	XBTCCXYVGOARIB-UHFFFAOYSA-N	301.778	1.549	50	20	DDGD	
CC(C)CCC[C@H](C)NC(=O)NNC(=O)C(=O)N1CCCC1	155015365	ZLGBWWOLAYRJTE-LBPRGKRZSA-N	312.414	1.154	50	20	DDGD	
CCCc1[nH]nc(C(=O)NNc2ccc(C#N)cc2)c1[N+](=O)[O-]	155606665	DAWROXHZOKBMMP-UHFFFAOYSA-N	314.305	1.899	50	20	DDGD	
O=C(Cc1c[nH]c2ncccc12)NNc1nccnc1Cl	153927541	DDFXSAZHWMMULP-UHFFFAOYSA-N	302.725	1.692	50	20	DDGD	
Cc1occc1C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1	21320326	UEDWKMQHVPSONX-UHFFFAOYSA-N	322.342	1.066	50	20	DDGD	
O=S(=O)(CBr)N1CCC(c2cn[nH]c2)CC1	404447227	FXOXSWUTCNTSFM-UHFFFAOYSA-N	308.201	1.271	50	20	DDGD	
CSSCCNC(=O)N1CCC2(CC1)C[C@@H]2C(=O)O	405355812	ISEGXUGGZIPNHG-SECBINFHSA-N	304.437	1.894	50	20	DDGD	
N#Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1	7428894	MKEDMRZEPAVSJT-UHFFFAOYSA-N	319.317	1.321	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1ccc(Cl)cc1O	55338957	XWIVSOLPVGGESL-UHFFFAOYSA-N	309.709	1.783	50	20	DDGD	
CCNC(=O)CCCC(=O)NNC(=O)CCc1ccccc1	104878258	OMRPECWZSWPSBU-UHFFFAOYSA-N	305.378	1.073	50	20	DDGD	
COC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)CCl	104327200	DMBFLLSDBOLIRP-LLVKDONJSA-N	303.767	1.112	50	20	DDGD	
C/C=C/C=C/C(=O)NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1	111055511	QFRUEHFOIAYCKT-BSWSSELBSA-N	316.365	1.450	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)Nc2ccc(C#N)cc2)cc1	119707892	CUAXFUDVEBMGDX-UHFFFAOYSA-N	305.297	1.512	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C2(O)CCCC2)cc1C	102889719	UHFBXYCGDJFTGV-UHFFFAOYSA-N	306.362	1.135	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1cccc(C(=O)NC2CC2)c1	179707745	TXFAAOPYWPJILR-UHFFFAOYSA-N	318.377	1.778	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccn(CC(F)(F)F)n1	179927283	YMLJCNCWLPXDPC-UHFFFAOYSA-N	307.276	1.644	50	20	DDGD	
O=C(CC[C@H]1CCCCO1)NNC(=O)CNc1ccccc1	111547385	GOLKTRYNFKSZNA-CQSZACIVSA-N	305.378	1.595	50	20	DDGD	
O=C(CSC[C@@H]1CCCO1)NNC(=O)c1ccc(F)cc1	171170301	GSMGSGQAGOZOSZ-LBPRGKRZSA-N	312.366	1.499	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CCCc2ccccc2)n(C)n1	69223638	PPSVWNVQANMGDP-UHFFFAOYSA-N	315.377	1.904	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](C)c1cc2ccccc2o1	66697982	RHBQGSGJICXMHX-JTQLQIEISA-N	305.334	1.861	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)[C@@H]1CCCO1)c1cccc(F)c1	118585528	OBMPWPPNLKYXAV-ZDUSSCGKSA-N	323.368	1.613	50	20	DDGD	
O=C(C[C@H]1C(=O)Nc2ccccc21)NNC(=O)c1ccccc1	63853960	MQVCOIMUQALUHS-CYBMUJFWSA-N	309.325	1.574	50	20	DDGD	
O=C(CN(C1CC1)[C@@H]1CCc2ccccc21)NNC(=O)C1CC1	112977577	OAAXUGRUKRAPIX-MRXNPFEDSA-N	313.401	1.696	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNc1ccc(Cl)nn1	173704903	HOTWGIXIOZQZJO-MRVPVSSYSA-N	322.800	1.802	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1cccc(-n2cccn2)c1	116974632	PJIFCVLSPYZHAN-UHFFFAOYSA-N	322.324	1.653	50	20	DDGD	
CCc1nc(CC(=O)NNC(=O)Cc2ccncc2)cs1	175790826	KGGYEMHIXOMKJV-UHFFFAOYSA-N	304.375	1.033	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1cnc2sccn2c1=O	128419085	MIUSUUZXBRWTTJ-UHFFFAOYSA-N	321.749	1.561	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cccc(F)c2C)nn1	123677608	CIYBSWFEYYOXGV-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
CC1(CC(=O)NNC(=O)CNC(=O)c2ccco2)CCCCC1	129900829	PRAUZPPOBGOEBO-UHFFFAOYSA-N	321.377	1.517	50	20	DDGD	
O=C(CSc1ncc[nH]1)NNC(=O)c1ccc(Cl)cc1	78998407	BVIGASFURDZJNA-UHFFFAOYSA-N	310.766	1.616	50	20	DDGD	
Cc1sc(=O)n(CCC(=O)NNc2ccnc(F)c2)c1C	182445069	JNROJPLWGQRPIF-UHFFFAOYSA-N	310.354	1.594	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2cccc(F)n2)c1	180625803	UTYWBUZVJQIUPY-UHFFFAOYSA-N	317.320	1.678	50	20	DDGD	
COCc1ccccc1NC(=O)NNC(=O)c1cc(C)n[nH]1	183837268	DMFCVWNUUFICSK-UHFFFAOYSA-N	303.322	1.331	50	20	DDGD	
C[C@H](C(=O)NNc1cc(Cl)nc(N)n1)N1CCCCCC1	182633368	ROMABRIMMIYWFB-SECBINFHSA-N	312.805	1.420	50	20	DDGD	
Cc1cc(C)n(CCCNC(=O)NNc2cncc(Cl)n2)n1	126140240	KITHZYZPTIIDDH-UHFFFAOYSA-N	323.788	1.660	50	20	DDGD	
CCOCCC1(CNC(=O)NNc2cncc(Cl)n2)CC1	132711457	FTGGRLRLCYYMBD-UHFFFAOYSA-N	313.789	1.963	50	20	DDGD	
CC(C)C1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)CC1	72717840	FAUYJKOXOHJWIC-UHFFFAOYSA-N	321.396	1.955	50	20	DDGD	
COc1cccc(NNC(=O)CNC(=O)c2cccs2)n1	180709074	IXANFGIGUATOGO-UHFFFAOYSA-N	306.347	1.025	50	20	DDGD	
COc1ncccc1NC(=O)C(=O)NNc1ccc(Cl)cc1	131206488	IMVZWHMSIFMQIL-UHFFFAOYSA-N	320.736	1.825	50	20	DDGD	
CC(C)(Oc1ccc(F)cc1)C(=O)NNC(=O)NCC1CC1	139358505	UYSOBKZVCZAVJC-UHFFFAOYSA-N	309.341	1.724	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](C)Cc2c(C)noc2C)o1	84160229	WTXQCWRRIJTKCQ-QMMMGPOBSA-N	320.349	1.768	50	20	DDGD	
O=C(C[C@@H]1CCCOC1)NNC(=O)Cn1ccc2ccccc21	193171830	PCJBKBJAXQXQQM-ZDUSSCGKSA-N	315.373	1.605	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNC(=O)c2cc(C)n[nH]2)cc1	89421652	CBWVSMNYLFCHKK-JTQLQIEISA-N	316.361	1.367	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1cc(C)c(Br)cc1C	131721599	ZHXGRZYWJHJEPP-UHFFFAOYSA-N	321.196	1.395	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cc1cccc([N+](=O)[O-])c1)C1CC1	83678209	HYEMWYKPCAJCGL-VIFPVBQESA-N	322.390	1.431	50	20	DDGD	
C[C@H](Sc1ccccn1)C(=O)NNC(=O)Cc1ccncc1	84981287	RCRMWIDVCVMHQD-NSHDSACASA-N	316.386	1.347	50	20	DDGD	
O=C(CCOCC(F)(F)C(F)F)NNC(=O)c1ccc[nH]1	191167527	QPRBTKFEQNUOFQ-UHFFFAOYSA-N	311.235	1.083	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(Br)c1)S(C)(=O)=O	132505439	BCRGICILCYXHQK-ZETCQYMHSA-N	321.196	1.325	50	20	DDGD	
O=C(Cn1cccn1)NNC(=O)c1cc2c(s1)CCCCC2	193162148	WCTXNASTCDABLL-UHFFFAOYSA-N	318.402	1.675	50	20	DDGD	
O=S(=O)(NCc1ccno1)c1ccc(CCCl)cc1	230723384	MFMYSWWYKOZJNR-UHFFFAOYSA-N	300.767	1.934	50	20	DDGD	
COc1cc(C)nc(NNC(=O)/C=C\c2ccc(Cl)nc2)n1	255047436	WAJXXVYUCAXQKN-XQRVVYSFSA-N	319.752	1.999	50	20	DDGD	
O=C(C[C@@H]1COC(=O)C1)NNc1ccc(Cl)cc1[N+](=O)[O-]	268849826	VZPGRBYLTPSIFI-ZETCQYMHSA-N	313.697	1.645	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNc2nccc(N(CC)CC)n2)O1	268638778	QQHPLCMSPJJUDF-NEPJUHHUSA-N	307.398	1.724	50	20	DDGD	
CCCCCOCC(=O)NNC(=O)c1ccc(OC)cc1OC	264364874	LCALKZMYAXSMOY-UHFFFAOYSA-N	324.377	1.672	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCn2cncc2C1)c1cccc(Cl)c1	363104857	NWUGMWOWTHUUPS-LLVKDONJSA-N	318.764	1.560	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cncnc1C(C)C	271423545	NNVQNRGZSFTTFV-UHFFFAOYSA-N	313.452	1.072	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H](C(C)C)N1C[C@H](C)O[C@@H](C)C1	276812192	ZXKRJBOIYJEAEN-KKUMJFAQSA-N	320.437	1.967	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@]2(C)CCO[C@H]2C2CC2)o1	368769543	HRIDJGCMOWGGOD-BBRMVZONSA-N	321.377	1.737	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	278540720	FXEACAUYBURZRH-BONVTDFDSA-N	310.325	1.068	50	20	DDGD	
CC(C)[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2)CCO1	271553941	RDGRGHALMJMJMN-KGLIPLIRSA-N	305.378	1.834	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccccc1F)[C@H]1CCCCO1	272021467	RVEAVWWHRKWYKY-ZWNOBZJWSA-N	309.341	1.727	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NNc1nccn(C)c1=O	274360545	KUESYDCNJSRQNX-VXGBXAGGSA-N	308.382	1.209	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](CO)CC(C)(C)C	272332079	VRIFCBQCBNHQDL-GFCCVEGCSA-N	307.394	1.736	50	20	DDGD	
COc1ccnc(NNC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)n1	372581850	HMTNDMLITGMKTR-CHISNJGVSA-N	318.377	1.260	50	20	DDGD	
C[C@@H]1CC=CC[C@H]1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	283828033	LEKCFBXJVOXHCE-JMSVASOKSA-N	316.357	1.576	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H]1C(=O)NNc1cccc([N+](=O)[O-])c1C	285716914	JBAKGSCEXYNGEB-UWVGGRQHSA-N	307.306	1.546	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)COc2cccc(C)c2)C1	286627147	JLNLYMHUHGRQTP-UHFFFAOYSA-N	306.362	1.336	50	20	DDGD	
CCC(CC)N1C[C@@H](C(=O)NNc2cccc(F)n2)CC1=O	286119975	AHJTYWRONHGMQS-JTQLQIEISA-N	308.357	1.701	50	20	DDGD	
CCn1ncc2cc(C(=O)NNC(=O)C3CCC3)c(C)nc21	281553984	AIPRNMRCOHPDJR-UHFFFAOYSA-N	301.350	1.321	50	20	DDGD	
C[C@@H](NS(=O)(=O)CBr)[C@@H](O)c1ccccc1	288391975	LSNMANUAPAEVGZ-PSASIEDQSA-N	308.197	1.380	50	20	DDGD	
CC[C@@H]1C[C@H]1NC(=O)NNC(=O)COc1cc(C)ccc1C	280676309	CCAAYMKBZQVCEV-CHWSQXEVSA-N	305.378	1.811	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@H]1CCCC12OCCO2	807080016	MCZIHIJCFVQMAZ-CQSZACIVSA-N	318.373	1.228	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)c1ccc(F)cc1	294185280	JYZWUZYGCNTKDI-FARZUVDMSA-N	306.337	1.944	50	20	DDGD	
Cc1cnc(CC(=O)NNc2ccc3c(=O)[nH]ccc3c2)s1	803436334	LKMHWVHIMVVPJJ-UHFFFAOYSA-N	314.370	1.979	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](C)Cc1cnc2ccccc2n1	293682352	PUSFMWKRWJZYIE-SNVBAGLBSA-N	302.334	1.538	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2cc(C)nn2C)c1	807222780	SBZBLPGVKOESDN-UHFFFAOYSA-N	317.349	1.341	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)CSc1ccccc1O)C1CC1	291848694	GGUUVDDXNNZCKE-HNNXBMFYSA-N	324.402	1.447	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NN=Cc1ccc(N)nc1	807953728	WXGLYLUUURGSSR-JTQLQIEISA-N	302.309	1.721	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CC[C@@H](C)C2)cc1	801109079	ZXXJNMZOXLEMNJ-VXGBXAGGSA-N	303.362	1.517	50	20	DDGD	
C[C@H](Cc1cnc2ccccc2n1)C(=O)NNC(=O)CC1CC1	294044581	FFYSHKAEAOKKFV-LLVKDONJSA-N	312.373	1.756	50	20	DDGD	
C=C(CBr)COC(=O)c1cnc2[nH]c(O)nc2c1	808634981	LVDIWXWIBJVQPU-UHFFFAOYSA-N	312.123	1.771	50	20	DDGD	
Cc1c(C(=O)NNC(=O)Nc2ccc(Cl)cc2)nnn1C	802017957	HBKBQBAWMSEEOZ-UHFFFAOYSA-N	308.729	1.243	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)n2ccc3ccccc3c2=O)ncn1	806863328	FGQLJVDJXMOGTE-LBPRGKRZSA-N	323.356	1.804	50	20	DDGD	
CCN1CCO[C@@H](C(=O)NNc2cccc(C(F)(F)F)n2)C1	806903076	CIJMGFOHZGIMEB-SECBINFHSA-N	318.299	1.264	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@@H](C)c2ccc(C#N)cc2)O1	292507011	CUVUSNTZFOMJRR-MJVIPROJSA-N	316.361	1.517	50	20	DDGD	
COc1cccc(C(=O)CCCC(=O)NNC(=O)NC(C)C)c1	292199788	ONIBKOQYFFVZPU-UHFFFAOYSA-N	321.377	1.787	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1ccc([N+](=O)[O-])cc1F	802025535	AYWJFQHUCINENJ-UHFFFAOYSA-N	319.252	1.017	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1	294144257	AQCSCZPQCFSNAI-UKRRQHHQSA-N	319.405	1.206	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)c2ccnnc2)CCC1	817693976	XYGNBGCDXIYWLZ-UHFFFAOYSA-N	310.357	1.668	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H](C)n2cnc(C#N)n2)cc1	817911101	JJPWGYBXINBHLO-JTQLQIEISA-N	300.322	1.253	50	20	DDGD	
Cc1ccc([C@@H](C)[C@@H](O)C(=O)NNc2ncncc2F)cc1	817068089	WLBNCXPUTDAPDL-ZWNOBZJWSA-N	304.325	1.532	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2cnc(N(C)C)n2C)c1	811630830	UZWFOWMYJOTBSG-UHFFFAOYSA-N	315.377	1.324	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1csc(C(=O)O)c1	814864564	GBAXFVMPQMRTBW-SECBINFHSA-N	314.363	1.338	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cccc(CO)c2)nc1	813501239	UMGRYWIHYDLLOQ-UHFFFAOYSA-N	301.302	1.117	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccc(C(=O)OC)[nH]2)cc1	814221446	CYZJJEQPBSOAMO-UHFFFAOYSA-N	315.329	1.439	50	20	DDGD	
O=C(O)c1cc(C=NNC(=O)[C@@H]2COc3ccccc3O2)c[nH]1	814701366	WGKIYXZTFIJSHF-ZDUSSCGKSA-N	315.285	1.003	50	20	DDGD	
CC(=NNC(=O)NCC1CC1)c1cccc(NS(C)(=O)=O)c1	729816924	WHLQJYZVQYMGOK-UHFFFAOYSA-N	324.406	1.491	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccc2c(c1)OCCO2	727273815	WLEMJOHWSUAFKA-UHFFFAOYSA-N	321.402	1.367	50	20	DDGD	
C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC=C(C#N)CC1	824730918	RBAOTOFXHYUWHS-LLVKDONJSA-N	324.344	1.316	50	20	DDGD	
C=CCC1(C(=O)NNC(=O)C(=O)N2CCCC2)CCCCC1	822895920	CWIJZFKQBFITRI-UHFFFAOYSA-N	307.394	1.283	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(Cl)nc(N2CCCC2)c1	823859933	DYTFMQNHCMNCKU-UHFFFAOYSA-N	312.801	1.294	50	20	DDGD	
CCCN(CCC)S(=O)(=O)NN(C)C(=O)OC(C)(C)C	496619280	XWYDJMMPTMAQOO-UHFFFAOYSA-N	309.432	1.725	50	20	DDGD	
CCCNC(=O)NNC(=O)C(C)(C)Oc1ccc(OC)cc1	823952307	ZOKXZXMMBDSRKI-UHFFFAOYSA-N	309.366	1.593	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C2(C)CCOCC2)c1	726765662	XJXYOIOYKWQJRI-UHFFFAOYSA-N	320.389	1.646	50	20	DDGD	
Cc1csc([C@H](C)NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n1	825885204	JYEGDIMRYDQSAB-LPEHRKFASA-N	312.395	1.268	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNC(=O)CC(C)(C)C)nc1	825727077	HSRWPXXZJLHCSR-UHFFFAOYSA-N	307.350	1.456	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)C1(F)CCOCC1	822735562	BYWCKYPFWIKWFZ-UHFFFAOYSA-N	314.288	1.574	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(Br)c(C)s1	823893788	WRTXWWNCLCJESM-UHFFFAOYSA-N	307.213	1.778	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H]1C[C@H]1C1CCC1	823012619	XKRAKPSSZUHZHV-QWHCGFSZSA-N	303.362	1.828	50	20	DDGD	
CCn1ccnc1C(C)=NNC(=O)CNC(=O)OC(C)(C)C	496761762	XSDVNODHTLRRBU-UHFFFAOYSA-N	309.370	1.268	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cc(Cl)cc(C(N)=O)c1OC	490942419	OEJKFTQHQXUWFL-BQYQJAHWSA-N	323.736	1.830	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(C(C)(C)C(=O)OC)cc1	496919325	KZHHZLHRWAZVME-UHFFFAOYSA-N	323.349	1.920	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)[C@H]1C[C@H]1C1CC1	495352044	JFEKGROWMWCRSH-QWRGUYRKSA-N	311.382	1.095	50	20	DDGD	
CCCCN(C)C[C@@H](C)NC(=O)/C(C#N)=C\c1cnn(C)c1	491135377	UBYJZLQZVDKIRZ-ATDKOCKZSA-N	303.410	1.564	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2ccc3c(c2)OCO3)CC=CCC1	822192167	BRQGKEOMRIUJSB-INIZCTEOSA-N	302.330	1.923	50	20	DDGD	
CN1CCCC[C@H](C(=O)NNc2nc3ccccc3[nH]2)C1=O	825214530	VZGCKWARUXFOQX-SNVBAGLBSA-N	301.350	1.265	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(F)c(N2CCOC2=O)c1	495910078	KSKBJMMDMYWEPC-UHFFFAOYSA-N	310.285	1.345	50	20	DDGD	
Cc1cccc2oc(C(=O)NNC(=O)CN3CCCC3=O)cc12	828346597	HPBJSYWCJCLJDD-UHFFFAOYSA-N	315.329	1.125	50	20	DDGD	
C[C@@]1(C(=O)N2CCN(CC3CC3)CC2)C[C@@H]1Br	906332847	HAABHKLKNOSVPO-WCQYABFASA-N	301.228	1.714	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1cc(C#N)ccc1Cl	495513048	QLXZDMNBIRNJPC-UHFFFAOYSA-N	303.727	1.151	50	20	DDGD	
CC(C)NC(=O)NNC(=O)Cc1cncn1Cc1ccccc1	822844806	WBWPGVFGFANUEX-UHFFFAOYSA-N	315.377	1.213	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cccc(NC(=O)OC)c1	495306269	CQGKEUNSSKZZOK-UHFFFAOYSA-N	310.310	1.054	50	20	DDGD	
CN(C)C(=O)NCCN(C)C(=O)/C(C#N)=C/c1ccc(O)cc1	491173258	BYKJDNOAXQCRLR-JLHYYAGUSA-N	316.361	1.029	50	20	DDGD	
CNC(=O)Nc1ccc(C(=O)NN(C)C(=O)OC(C)(C)C)cc1	822506817	JTYBQSIBXUNTNG-UHFFFAOYSA-N	322.365	1.950	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cc(O)cs1	826448798	MILJKIWZBHWKRP-UHFFFAOYSA-N	302.319	1.391	50	20	DDGD	
CCN(CC)[C@@H](CNCc1ccc(B(O)O)cc1)c1ccco1	585019206	FUIKKVGREKYHMW-INIZCTEOSA-N	316.210	1.132	50	20	DDGD	
Cc1cc([C@H](NCc2ccc(B(O)O)o2)C2CC2)ccc1F	585032727	ZBZQVHVMKRRTCK-MRXNPFEDSA-N	303.142	1.648	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1c(Cl)ccnc1Cl	496693593	VFNDDBQKMDHDFN-UHFFFAOYSA-N	314.150	1.280	50	20	DDGD	
C[C@H](CCS(C)(=O)=O)NC(=O)[C@]1(C)C[C@@H]1Br	907019335	AJYVEMBAEFAEPI-KHQFGBGNSA-N	312.229	1.099	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C(=O)NNC(=O)C2CCC2)c1C	732142650	GVLKTHYOZCMTCO-UHFFFAOYSA-N	307.350	1.369	50	20	DDGD	
CC(C)[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)c2ccccc21	584982751	QBSJBUILJLIWGH-MRXNPFEDSA-N	309.174	1.766	50	20	DDGD	
COC[C@]1(CO)CCN(C(=O)[C@@]2(C)C[C@@H]2Br)C1	909367852	INXDDPXZAGIVBH-ZMLRMANQSA-N	306.200	1.017	50	20	DDGD	
Cc1cc(NNC(=O)c2[nH]c(C)c(C(=O)O)c2C)nc(C)n1	738241388	UWCHDTFQEIVBSU-UHFFFAOYSA-N	303.322	1.493	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1nc(C)sc1C	730577153	ODRRZSOCWUPMMG-JTQLQIEISA-N	315.420	1.035	50	20	DDGD	
COc1c(F)cc(NC(=O)NNC(=O)C2CC2)c(OC)c1F	836737777	XARNBBDGZHRWST-UHFFFAOYSA-N	315.276	1.545	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](C)Cc1ccc(OCC)cc1	839719142	ZQSYQCBMLBVTRA-LBPRGKRZSA-N	307.394	1.956	50	20	DDGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)C1=COCC1	734120572	VUUPODKMYVDXJH-UHFFFAOYSA-N	312.778	1.884	50	20	DDGD	
CON1CCC(=NNC(=O)c2cnn(-c3ccccc3)c2)CC1	834958261	JPMOOEIWFPYIBA-UHFFFAOYSA-N	313.361	1.615	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)C1=C(c2ccccc2)CCCC1	830690707	NXLLXPKSVZUGML-UHFFFAOYSA-N	302.374	1.933	50	20	DDGD	
Cc1nc(C(C)(C)C)sc1C(=O)NNC(=O)Cc1cc[nH]n1	730091527	GDGAVYFYLKQSDY-UHFFFAOYSA-N	321.406	1.476	50	20	DDGD	
CO[C@H]1COCC[C@@H]1CNC(=O)NNc1c(C)cccc1F	838661706	ZNPLIXLJZBUJRJ-YPMHNXCESA-N	311.357	1.812	50	20	DDGD	
COC(=O)c1cc(C)cc(C(=O)NNc2nc(C)cc(C)n2)c1	837327325	ZHFYLRLTJSECID-UHFFFAOYSA-N	314.345	1.945	50	20	DDGD	
CC[C@@H](C(=O)NN=C1CCCS(=O)(=O)C1)c1ccccc1	731930565	CNTRRALGOUOZSR-CQSZACIVSA-N	308.403	1.861	50	20	DDGD	
CC(C)c1ncsc1NC(=O)NNC(=O)[C@@H]1CCCCO1	836745066	LGAZYWCIBSWNQA-VIFPVBQESA-N	312.395	1.988	50	20	DDGD	
CC(=O)Nc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	831127183	FSHBZIKMGGSGRQ-TVQRCGJNSA-N	320.349	1.223	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCCCO2)ccc1OCC#N	834989321	GKHRWXBHOJROLR-AWEZNQCLSA-N	317.345	1.617	50	20	DDGD	
O=C(NCC(Cl)Cl)[C@@H]1CC(=O)N(c2ccccc2)C1	837650744	JKXUSJXHHXSFKD-SECBINFHSA-N	301.173	1.959	50	20	DDGD	
CO[C@H](C=NNC(=O)Cn1nc(C)cc1C)Cc1ccccc1	834929937	YSQHGYFEKONACG-INIZCTEOSA-N	314.389	1.860	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNC(=O)CCc1ccccc1	839618145	HDEIMDYVRHJPKO-CYBMUJFWSA-N	306.362	1.356	50	20	DDGD	
C[C@H]1CC[C@H](CNC(=O)NNc2ccc3c(=O)[nH]ccc3c2)O1	838738924	BWNYUCRZYNNSQI-GXFFZTMASA-N	316.361	1.722	50	20	DDGD	
NC(=O)Nc1ccc(C(=O)NNC(=O)NC2CCCCC2)cc1	836541176	CIZDKCVWIDIMMK-UHFFFAOYSA-N	319.365	1.454	50	20	DDGD	
CC(C)Cn1cc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cn1	831505613	DTLOULHMQXRTAR-PWSUYJOCSA-N	309.370	1.117	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@H]1c1ccccc1)c1ncon1	832826142	RUMFEWGQJWQUAV-RYUDHWBXSA-N	300.318	1.415	50	20	DDGD	
O=C(O)Nc1cccc(C(=O)NNC(=O)c2ccccn2)c1	740034508	UXNMRDLIPMIFMZ-UHFFFAOYSA-N	300.274	1.246	50	20	DDGD	
CCn1nc(C(=O)NN=Cc2cc[nH]c2)c2ccccc2c1=O	745194875	ZXDWKUWRJOCNOV-UHFFFAOYSA-N	309.329	1.508	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccccc1C(F)(F)F	843637477	CNXJQGBGKHYWMM-BDAKNGLRSA-N	316.279	1.891	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC[C@@H](c2ccccc2)C1	744394224	DAQGFXDWTSDIKX-CQSZACIVSA-N	303.406	1.669	50	20	DDGD	
COCC1(CC(=O)NNC(=O)Cc2ccc(Cl)cc2)CC1	843755136	YTYIVHONSGVNAU-UHFFFAOYSA-N	310.781	1.847	50	20	DDGD	
COc1ccc2cc(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)[nH]c2c1	843972415	GWCISTBGSVDVEP-SKDRFNHKSA-N	317.345	1.363	50	20	DDGD	
O=C(NN=Cc1ccccc1N1CCCCC1)C(=O)NC1CC1	744828358	ZFVNTEJFMRFWKJ-UHFFFAOYSA-N	314.389	1.406	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H](C)c2csnn2)cc1	840458586	JBBUIADCIPZVDK-SECBINFHSA-N	319.390	1.806	50	20	DDGD	
C#CCCOc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	843660536	LLFDGBAMPMRAGF-IUODEOHRSA-N	316.357	1.275	50	20	DDGD	
CO[C@@H](CS(=O)(=O)NNC(=O)C1CCCC1)C1CCCC1	849304380	QZDYMVLURBMPJG-ZDUSSCGKSA-N	318.439	1.332	50	20	DDGD	
COC(=O)/C=C\c1ccc(C=NNC(=O)[C@@H]2CCO[C@H]2C)o1	848412814	CTSJBUHRMJQUPP-PKPVONPISA-N	306.318	1.341	50	20	DDGD	
COc1ccc(CC(C)=NNC(=O)c2sc(N)nc2C)cn1	841618163	CMQZHKZGHIZPLU-UHFFFAOYSA-N	319.390	1.786	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])n2C)c(O)c1	918337329	IHLCSXOPMJHUIU-UHFFFAOYSA-N	318.289	1.022	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1c(Cl)nc(Cl)n1C	842548877	DGKWNOUUCAZRKB-RNFRBKRXSA-N	305.165	1.602	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCOc2ccccc21	843651930	PYCLRXRIELFAIR-GVXVVHGQSA-N	304.346	1.125	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H](C)C(=O)OC(C)(C)C)n1	840442319	WQLFPKXYCAJNRB-JTQLQIEISA-N	307.350	1.129	50	20	DDGD	
O=C(NN=Cc1ccc(Br)s1)C(=O)NC1CC1	744828128	VLIOAZPXCKRXFC-UHFFFAOYSA-N	316.180	1.239	50	20	DDGD	
CCCn1nc(C(=O)NN=C(C)CCO)c2ccccc2c1=O	749854162	GDDPLFGCNGCXKW-UHFFFAOYSA-N	316.361	1.295	50	20	DDGD	
COC/C(C)=C/C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	845086819	DHHMAMQRDAINGM-MARXPDLDSA-N	320.389	1.811	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)C1	843798221	IJAUUQUWKOXBJP-LLVKDONJSA-N	312.329	1.003	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1	743588761	IABAZOGEDBCGIV-RRFJBIMHSA-N	316.405	1.923	50	20	DDGD	
COCCCCN(C)CC(=O)NNC(=O)c1ccc(C)cc1	842170704	CGMJLROCJBSIJA-UHFFFAOYSA-N	307.394	1.114	50	20	DDGD	
CC[S@](=O)c1ccccc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843973294	HTVTZOFIHFDLTC-AUWXTCHYSA-N	324.402	1.000	50	20	DDGD	
CCN1CCC[C@H](NC(=O)NNc2cc(F)ccc2C)C1=O	925983286	OSMZPRWMOWQDOI-LBPRGKRZSA-N	308.357	1.771	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)CC(C)(C)C)CC1(C)OCCO1	758863030	VIBZMHUHZYFIFB-LLVKDONJSA-N	315.414	1.542	50	20	DDGD	
CC(CC1CCCC1)=NNC(=O)CNC(=O)c1cccnc1	752735557	UUXPHIIBOWDQTJ-UHFFFAOYSA-N	302.378	1.884	50	20	DDGD	
C[C@@]1(CNC(=O)N2[C@H]3CC[C@H]2CNC3)C[C@@H]1Br	857105664	PHKICUDTPZRIKY-GMOBBJLQSA-N	302.216	1.306	50	20	DDGD	
O=C(CSC(F)F)NNC(=O)c1cccc([N+](=O)[O-])c1	920821337	YIUGTCBMQBQICG-UHFFFAOYSA-N	305.262	1.312	50	20	DDGD	
C=C(CBr)CN1CC[C@H](CN2CCCC2=O)C1	852680339	SVDMXUGAZVNRII-LBPRGKRZSA-N	301.228	1.882	50	20	DDGD	
O=C(NCCO[C@@H]1CCOC1)NNc1ccc(F)cc1Cl	927528646	VCOMMUGSJGJLBE-SNVBAGLBSA-N	317.748	1.911	50	20	DDGD	
CCCC[C@](C)(F)C(=O)NNc1ccccc1S(N)(=O)=O	857193211	OTQLVZWGNITESC-ZDUSSCGKSA-N	317.386	1.696	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N(C)CC1(C)COC1	858206746	ALXHESIPVVMWQI-UHFFFAOYSA-N	307.350	1.018	50	20	DDGD	
O=C(CSC(F)F)NNC(=O)Cc1c[nH]c2ccccc12	920820713	HVJVNJUIARCRRG-UHFFFAOYSA-N	313.329	1.814	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)c2cccc(F)n2)c1C	856424886	VCQXFZHCBABEJC-UHFFFAOYSA-N	305.313	1.129	50	20	DDGD	
CO[C@]1(CNC(=O)NNc2ccc(F)c(F)c2)CCOC1	921984237	FHFUHXHABDZZOW-ZDUSSCGKSA-N	301.293	1.396	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C(C)c1nccn1C	755505876	WCQCEUXQHISNLS-UHFFFAOYSA-N	301.350	1.381	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccc2ncsc2c1	755801236	INBMARHBPYPTJG-UHFFFAOYSA-N	316.346	1.794	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc([N+](=O)[O-])cc1F)c1nncn1C	853402733	JGLQSRUYLBPWOZ-SSDOTTSWSA-N	323.288	1.250	50	20	DDGD	
C[C@@H]1COC[C@H]1NC(=O)NNC(=O)C(C)(C)c1ccccc1	926000997	VOQYAYCSFZYOBL-DGCLKSJQSA-N	305.378	1.330	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=C2CN(C)C[C@@H]2C)o1	752163958	GPMUOQQJVPESPP-LBPRGKRZSA-N	306.410	1.789	50	20	DDGD	
CCS(=O)(=O)C1CN(C[C@H](CBr)C2CC2)C1	859325878	YLQJBLNIBVTFOQ-JTQLQIEISA-N	310.257	1.526	50	20	DDGD	
CC(C)N(C)CCNC(=O)NC[C@]1(C)C[C@@H]1Br	856833401	YNQUPFVMBQDIOQ-JQWIXIFHSA-N	306.248	1.799	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cnn(-c2cccnc2)c1	759620731	DWIKLDVWTSRKIR-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
Cc1cc(N(C)C)ccc1NC(=O)NNC(=O)Cc1cc[nH]n1	755808707	CQFXZDYKHIXWHN-UHFFFAOYSA-N	316.365	1.180	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)OC[C@@H](CBr)C1CC1	922993323	HYJIAAJIJDYNRW-GHMZBOCLSA-N	318.211	1.962	50	20	DDGD	
COC[C@@](C)(O)C(=O)NNc1cc(C(F)(F)F)ccc1F	754147300	IRUFRGGUVCGFQE-LLVKDONJSA-N	310.247	1.685	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2cc(OC)n(C)n2)ccc1C	857267393	VJOWDLZAGDNQOU-UHFFFAOYSA-N	318.333	1.281	50	20	DDGD	
CCOc1ccc(OC(C)(C)C(=O)NNc2nc[nH]n2)cc1	857261083	GXQFUQRCJNZCNP-UHFFFAOYSA-N	305.338	1.504	50	20	DDGD	
C[C@@H](C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)C1CCCC1	750167170	PUGXBTWUMAZKEA-YPMHNXCESA-N	302.440	1.305	50	20	DDGD	
CC(=O)N1CC[C@@H](NC(=O)NC[C@]2(C)C[C@@H]2Br)C1	856894986	YHXMSQITVFSGIE-SCVCMEIPSA-N	318.215	1.080	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CN(C(C)C)C[C@@H]2C)cc1	754258720	NEPLHANDJDMAKC-ZDUSSCGKSA-N	316.405	1.766	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(Br)nc1	756885391	WHGWMIBTXIWLSC-UHFFFAOYSA-N	315.171	1.514	50	20	DDGD	
CC(=NNC(=O)CSc1nc(C)cc(C)n1)c1nccn1C	755490791	QZGZUCPQMITDCS-UHFFFAOYSA-N	318.406	1.459	50	20	DDGD	
CO[C@H]1C[C@@H](NC(=O)NNC(=O)c2cc(C)cs2)C1(C)C	858273808	HPQZHAIUKIJRMN-MNOVXSKESA-N	311.407	1.814	50	20	DDGD	
CC(C)OC(=O)CCCNS(=O)(=O)CC(C)(C)CCl	867111429	FPNUKWPUBWOFEZ-UHFFFAOYSA-N	313.847	1.903	50	20	DDGD	
Cc1ccc(Cl)c(NC(=O)C(=O)NNC(=O)C2CCC2)c1	764335163	MQSSDCLHSBUFHW-UHFFFAOYSA-N	309.753	1.534	50	20	DDGD	
CCC[C@H]1C[C@@H](C(=O)NNC(=O)Cc2cc(C)[nH]n2)CCO1	869015301	PGNVZPZECMHPKJ-AAEUAGOBSA-N	308.382	1.003	50	20	DDGD	
O=C(NNc1cnccn1)C(=O)Nc1cccc(OC(F)F)c1	766260374	MUUCAVZCKCLGBL-UHFFFAOYSA-N	323.259	1.160	50	20	DDGD	
O=C(NN=Cc1cnc(C2OCCO2)s1)c1ccncc1	761723856	GMGHROBQSSPEKD-UHFFFAOYSA-N	304.331	1.347	50	20	DDGD	
CC(C)OC[C@@H](CO)N(C)S(=O)(=O)CC(C)(C)CCl	867191267	MVHUQXAAHMFAMJ-LLVKDONJSA-N	315.863	1.299	50	20	DDGD	
CC[C@H](C(=O)NNc1nc2ccccc2[nH]c1=S)C(=O)OC	862293626	ZZLJJRVWBLBYGM-MRVPVSSYSA-N	320.374	1.935	50	20	DDGD	
CCOc1ncc(C(=O)NNc2nccnc2OC)cc1Cl	764463134	FJXOQOMRYGXQMN-UHFFFAOYSA-N	323.740	1.689	50	20	DDGD	
C[C@@H](NNC(=O)[C@]1(c2ccccc2)CNC(=O)C1)C(F)(F)F	862319866	LWYPYVQADGBSLI-RNCFNFMXSA-N	315.295	1.016	50	20	DDGD	
C[C@@H](c1ccccc1F)[C@@H](O)C(=O)NNC(=O)CC(F)(F)F	869020177	HXGUDGLAIDYWSK-WRWORJQWSA-N	322.258	1.390	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc(N2CCCC2)nn1)C(F)(F)F	862312602	PQKACNARXPAYHY-MRVPVSSYSA-N	303.288	1.262	50	20	DDGD	
C[C@@H](CCCc1ccccc1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1	862462649	ZIKGSBBWISOVTF-JSGCOSHPSA-N	317.389	1.071	50	20	DDGD	
O=C(c1cccc(Oc2nccs2)c1)N1CC[C@@H](B(O)O)C1	864230947	HGUPAUNXISCMJV-LLVKDONJSA-N	318.163	1.624	50	20	DDGD	
CN(CC(=O)NNC(=O)NC1CCCCC1)[C@H]1CCSC1	766757452	RXJNUBMPUQUEBB-LBPRGKRZSA-N	314.455	1.087	50	20	DDGD	
CC(=NNC(=O)c1cn[nH]c1)c1ccc(OCCN(C)C)cc1	863154660	HUSNQKUULCXTAC-UHFFFAOYSA-N	315.377	1.504	50	20	DDGD	
CC1(C)OCc2cc(C=NNC(=O)c3cnccn3)ccc2O1	766017101	DUVLXANTKUTRHS-UHFFFAOYSA-N	312.329	1.886	50	20	DDGD	
Cc1cc(C)c(/C=C/C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1C	862450914	DHZORRCATQBRLS-YVARQFDVSA-N	315.373	1.051	50	20	DDGD	
CC(=O)CCCC(=O)NNC(=O)CSc1ccc(C)cc1	769486227	FMEMVIBGDBFBEX-UHFFFAOYSA-N	308.403	1.994	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)s1	862457990	VFRXIHYAPHTALV-MRVPVSSYSA-N	309.391	1.085	50	20	DDGD	
C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NN[C@H](C)C(F)(F)F	862320358	QDUGZKSPYKTFSG-JGVFFNPUSA-N	313.320	1.719	50	20	DDGD	
C[C@H](NNC(=O)CNC(=O)c1cc(Cl)ccn1)C(F)(F)F	1118911773	VYGLNJIUWKLYBU-LURJTMIESA-N	324.690	1.036	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C1CCS(=O)CC1	761800340	BJBBLXAIBOQYSL-UHFFFAOYSA-N	310.375	1.089	50	20	DDGD	
CCCCc1nc(C=NNC(=O)[C@H]2CCC(=O)N2)c(Cl)[nH]1	863148044	RTENZOMHHISNNF-MRVPVSSYSA-N	311.773	1.134	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNc2ccc(C(F)(F)F)nn2)CCC1=O	765201567	SVEHUWOHPLAIBX-JGVFFNPUSA-N	316.283	1.944	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CCSC1	761805994	ZPZWGJVBXYLCRM-VHSXEESVSA-N	312.366	1.494	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(C)ccc2O)nc1	760788207	HTFSHEINYJAQDH-UHFFFAOYSA-N	301.302	1.639	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	877999313	TXFRHKYQTCWIMI-CORIIIEPSA-N	322.792	1.845	50	20	DDGD	
CN1CCN(CC(=O)NNc2cc(Cl)ccc2F)CC1	871272051	JDFGRSIPIUPZPD-UHFFFAOYSA-N	300.765	1.170	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NOC2CCCCC2)n1	779683457	ZGJCLFZIIYWUEJ-UHFFFAOYSA-N	309.370	1.095	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](C)c1ccc([S@](C)=O)cc1	875423409	MQMOOSGRHLDDNC-FPVGNUTFSA-N	313.379	1.397	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)c1n[nH]c2c1CCC2	771552694	WHANRQXCQBQQQY-UHFFFAOYSA-N	322.166	1.813	50	20	DDGD	
CSC[C@H]1CCCN1CC(=O)NNC(=O)c1cccc(C)c1	777605239	NNRPJYOLBMYTKE-CQSZACIVSA-N	321.446	1.583	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(OC)nc1C(F)(F)F	879250913	MBKCEQRVHZHMFN-UHFFFAOYSA-N	322.243	1.844	50	20	DDGD	
COC(=O)N(C)NC(=O)NCC[C@@H]1COc2ccccc2O1	875387921	HEVBRPSKJAOSNP-SNVBAGLBSA-N	309.322	1.129	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1cccc2cc[nH]c12	773495477	BOVLYLYCRKPQFZ-UHFFFAOYSA-N	316.361	1.690	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)/C=C/[C@@H]2CCOC2)c1	873776894	IEBJKWDCTWZEKJ-BTDICHCPSA-N	305.403	1.905	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](C)[C@H](OC)c1ccc(F)cc1	875448282	PVANWZCUGNABME-SKDRFNHKSA-N	313.329	1.814	50	20	DDGD	
CCc1cccc(NC(=O)NNC(=O)[C@H](C)OCCOC)c1	779351589	SBWSZAXWCUXUIC-NSHDSACASA-N	309.366	1.453	50	20	DDGD	
COCC1(C(=O)NNC(=S)Nc2ccccn2)CCCC1	874956140	MNWDZRPOSGPPFA-UHFFFAOYSA-N	308.407	1.606	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)Cc1ccc2c(c1)CCC2	771952106	VPKUMBYDCPEWKS-NSHDSACASA-N	318.373	1.207	50	20	DDGD	
CC(C)N1C(=O)C(=NNC(=O)C2CCOCC2)c2ccccc21	1119360900	AZIBPLUUGRQQHL-UHFFFAOYSA-N	315.373	1.689	50	20	DDGD	
Cc1c(C(=O)NNC(=O)Cc2cccnc2)ccc2cncn12	1116530093	CWWKTWDZQJHTJE-UHFFFAOYSA-N	309.329	1.041	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)c2ccccc2)cc1	770333510	LTUTYJXNLWYYLW-UHFFFAOYSA-N	313.313	1.940	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1cccc(F)c1O	777904380	NESIWFFTAYICPN-UHFFFAOYSA-N	311.313	1.506	50	20	DDGD	
O=C(CNC(=O)NCc1ccc(F)cc1)NNc1ccccn1	777473446	IYIVFRBBKFQCEF-UHFFFAOYSA-N	317.324	1.163	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CSc2ccccc21	772141278	XEMQPODGSOHIGI-MWLCHTKSSA-N	322.386	1.365	50	20	DDGD	
CCCCn1cc(C(=O)NNC(=S)NC(C)(C)C)c(C)n1	770213128	INYDSMPWCZICLZ-UHFFFAOYSA-N	311.455	1.899	50	20	DDGD	
CC[C@H](NC(=O)NNc1nncc(N)c1Cl)[C@@H]1CCCO1	1116381388	RKYJTQULLZIWIH-IUCAKERBSA-N	314.777	1.296	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCn1ccc(C(F)(F)F)n1	872887319	ZWJJPTPPGPBCDT-UHFFFAOYSA-N	321.303	1.278	50	20	DDGD	
CCOc1c(Cl)cccc1C=NNC(=O)COCCOC	872400486	LUNCHSYEKLKOSX-UHFFFAOYSA-N	314.769	1.852	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1ccn(C(F)F)n1	775643819	UZTKSCLBJSLHTP-UHFFFAOYSA-N	319.271	1.834	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)c1ccccc1	772296116	LZEMGWLINDDTLG-STQMWFEESA-N	320.389	1.915	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2ccc(Cl)cc2Cl)C1=O	773456328	SQBMOAFCUALHPX-MRVPVSSYSA-N	302.161	1.915	50	20	DDGD	
Cc1ccc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)cc1O	771968253	LDSVTYNWZXLAIT-LLVKDONJSA-N	322.361	1.439	50	20	DDGD	
O=C(CCN1CCOCC1)NNc1ccc(Cl)cc1F	885110196	SGZKNFLZSKXGDK-UHFFFAOYSA-N	301.749	1.645	50	20	DDGD	
CCS(=O)(=O)c1ccc(F)c(C(=O)NNc2ccccn2)c1	777470634	ZQEUMBLJGPLMLG-UHFFFAOYSA-N	323.349	1.771	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)NC[C@H]1C=CCC1	883779750	CWFWAAONHCUXSN-NSHDSACASA-N	305.334	1.068	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cc2cc(F)ccc2[nH]1	883061543	XUUMSAXCVDEUDE-UHFFFAOYSA-N	305.309	1.495	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(F)cc(C(=O)OC)c1	887154387	JIFVMODAHYHARK-UHFFFAOYSA-N	306.293	1.177	50	20	DDGD	
COC(=O)Cn1cccc1C=NNC(=O)NC1CCCCC1	776179354	REPSYTALMURBPJ-UHFFFAOYSA-N	306.366	1.627	50	20	DDGD	
CC(=O)N1CCC(=NNC(=O)c2ccccn2)c2ccccc2C1	778532271	MHKUPHIBNQRMTP-UHFFFAOYSA-N	322.368	1.968	50	20	DDGD	
O=C(C[C@@H]1CCS(=O)(=O)C1)NNc1ccc(Cl)cc1F	885110058	NKDBHIISNKXEOP-QMMMGPOBSA-N	320.773	1.747	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NNc1ncc(F)cc1F	880249535	CYXUDWNZBCOJQW-KRTXAFLBSA-N	307.304	1.892	50	20	DDGD	
O=C(CCc1ccc(F)cc1F)NNC(=O)C1CCOCC1	883066837	LCTLTRYTGHYHMD-UHFFFAOYSA-N	312.316	1.471	50	20	DDGD	
CN1CCN(S(=O)(=O)CCCCl)CC12CCCCC2	882332009	RMVXCDNHDBHQOX-UHFFFAOYSA-N	308.875	1.895	50	20	DDGD	
CC(C)[C@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)c1cnn(C)c1	885419464	HOTZCEJXQCCOQT-WQPBDQAGSA-N	312.377	1.574	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)N[C@@H](c1cccs1)C1CC1	883089426	JVSFOOMATRLTIX-GFCCVEGCSA-N	317.374	1.633	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc2oc(S)nc2c1	883070013	CZQPHVZRPJGDQS-UHFFFAOYSA-N	321.358	1.304	50	20	DDGD	
CN(CC(=O)NNC(=O)C(C)(C)C)CC1(c2ccccc2)CC1	781931920	HSGWQWBTOREHOY-UHFFFAOYSA-N	317.433	1.844	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@H](C)C[C@H]1[C@H](C)O	785545112	DISFLIQIVCBSFH-XUXIUFHCSA-N	313.442	1.050	50	20	DDGD	
C[C@@H](CN1CCOCC1)OC(=O)/C(C#N)=C/c1ccccc1	785366180	NMNHNIUINBZAIK-LUYJPIOASA-N	300.358	1.857	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@@H]1C[C@@H]1C1CCCCC1	883459496	ZGSICAFSFYRNHN-ZIAGYGMSSA-N	309.410	1.712	50	20	DDGD	
COc1nn(C)cc1C(=O)NC[C@]1(C)C[C@@H]1Br	883973771	DQOSIWZSUMKDKS-KWQFWETISA-N	302.172	1.332	50	20	DDGD	
C[C@@H](COCC(F)(F)F)NC(=O)NNc1ccc(C#N)cn1	887986307	UNVLIMSQZXVTSR-QMMMGPOBSA-N	317.271	1.547	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncncc1Cl)c1nnc2n1CCC2	780987721	GYAKQXCPHSSKQJ-SSDOTTSWSA-N	322.760	1.055	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@H]2CO[C@@H](C)C2)cc1OC	784147309	ZNEQPDIXXASCAO-JQWIXIFHSA-N	322.361	1.280	50	20	DDGD	
C=C[C@@H](CC)CC(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1	891767219	DREWWGFEMPGWQB-MJBXVCDLSA-N	311.426	1.235	50	20	DDGD	
CC[C@H]1C(=O)N(CC)CCN1S(=O)(=O)CCCCCl	780852809	AWNYSOQWJAZETD-NSHDSACASA-N	310.847	1.278	50	20	DDGD	
CC(C)[C@@H](OC(=O)/C(C#N)=C/C1CC1)C(=O)N1CCOCC1	786671723	WEEFJAKABOFMIZ-KADHNRKRSA-N	306.362	1.273	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@H]1CCCN(CC(F)F)C1	899997514	WMALQTXNQSADSS-VIFPVBQESA-N	322.425	1.257	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2cccc(C#N)c2)cn1C	790162622	SORPEKVVBIBBOJ-UHFFFAOYSA-N	310.313	1.447	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1ccc(O)nn1	798143005	FBWNGHIBTKEXPC-UHFFFAOYSA-N	308.729	1.506	50	20	DDGD	
Cc1cccc(S(=O)(=O)NNC(=O)c2cccc(C)n2)c1	794599860	RMHPFKJNPKACNX-UHFFFAOYSA-N	305.359	1.322	50	20	DDGD	
CSSCCNC(=O)Nc1ccn(CCN(C)C)n1	794191708	SPZFCCFVCXNXMG-UHFFFAOYSA-N	303.457	1.577	50	20	DDGD	
Cn1ncc2c1CCCC2=NNC(=O)c1ccc(O)c(O)c1	794558967	MGYQGYVIUVSBGH-UHFFFAOYSA-N	300.318	1.302	50	20	DDGD	
O=C(CN1CCC[C@@H]1[C@H]1CCCO1)NNC(=O)c1cccs1	792923322	FEEOCCREWUULQM-VXGBXAGGSA-N	323.418	1.153	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)c1cc(OC)cc(OC)c1	794612458	BYWWHNLEFQQBKP-UHFFFAOYSA-N	317.345	1.669	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccc2nc(O)oc2c1	798316351	WITJQQLZSBRKII-UHFFFAOYSA-N	318.211	1.040	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1c[nH]cc1-c1ccccc1	798306893	XZRQABRGCFGCDM-UHFFFAOYSA-N	300.387	1.977	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1csc(O)n1	792475579	KXRVXAKEKLSIMS-UHFFFAOYSA-N	320.359	1.519	50	20	DDGD	
COC(C)(C)C(=O)COC(=O)/C(C#N)=C/c1ccc(O)cc1	798631303	LOJIOGJRPQGYPN-XYOKQWHBSA-N	303.314	1.836	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1cnc(C(C)C)nc1	797125913	JRKBHTXUJJWHSG-UHFFFAOYSA-N	314.349	1.385	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H](C)N2CCc3ccccc32)n1	794077274	MIUUJNFYLMDNPT-CYBMUJFWSA-N	324.384	1.602	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2ccnc(OC)c2)n1	1319263592	PQAYPPQOBHZDMU-UHFFFAOYSA-N	316.365	1.483	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1cc2occc2[nH]1	1319507601	UGVITPOWKIDZEA-UHFFFAOYSA-N	313.317	1.438	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(C)n(CC2CC2)c1C	1318503711	RJUHTGYMBBLHEW-UHFFFAOYSA-N	322.409	1.495	50	20	DDGD	
C[C@@H]1Oc2c(ccc(Cl)c2Cl)C1=NNC(=O)CCO	1318931959	ULLQEWQPUFWLSV-LURJTMIESA-N	303.145	1.977	50	20	DDGD	
CC(C)Cn1nccc1C=NNC(=O)c1n[nH]c2c1CCCC2	1326485667	HOATZNFWZSNTKB-UHFFFAOYSA-N	314.393	1.905	50	20	DDGD	
COC(=O)[C@@H]1CN(C[C@@H](CBr)C2CC2)C[C@H](C)O1	1335012503	JEQPLXKJJDMQOD-WCQGTBRESA-N	320.227	1.670	50	20	DDGD	
CCN(CCNC(=O)NNC(=O)c1ccc(OC)cc1)C(C)C	1251514284	LIVLARPULOZSJC-UHFFFAOYSA-N	322.409	1.370	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1cc(Cl)ccc1C	1338669141	WEUHPGXAQTZIGZ-UHFFFAOYSA-N	321.764	1.538	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc2c(c1)CCCC2=O	1330304764	LRPHKTIVCCWREM-UHFFFAOYSA-N	305.403	1.723	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@@H](F)CC	1335396387	GRYPJMGNMQVWEM-JTQLQIEISA-N	306.341	1.494	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1ccsc1[N+](=O)[O-]	1331452370	MHYHUGCXCQISAI-UHFFFAOYSA-N	307.353	1.012	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccc(C)c(Cl)c1Cl	1254935837	NFZAOLOWLTYPQY-UHFFFAOYSA-N	320.132	1.628	50	20	DDGD	
C[C@@]1(Cn2nnnc2N2CCC=C(F)C2)C[C@@H]1Br	1335162749	YCNQMUDYEJILKN-ONGXEEELSA-N	316.178	1.910	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(C)ccc1NC(=O)N(C)C	1257625679	OPJQMDAZJGTIBX-UHFFFAOYSA-N	308.338	1.432	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC/C=C\C2CC2)cc1C	1330865692	WFNRTUVTDWJVSW-ARJAWSKDSA-N	317.389	1.979	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)[C@H]2C[C@H]2F)c1	1347558523	VPSFJHHIKGVGMK-IONNQARKSA-N	301.705	1.859	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)C2CCOCC2)C[C@H]1C	1349838560	IMFGNUZJFBNVJP-BXUZGUMPSA-N	310.394	1.885	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cnn3ccccc23)c1F	1608936288	KORFJMGVCKDUKQ-UHFFFAOYSA-N	314.276	1.929	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)O[C@@H](CC(C)(C)C)C(=O)O)cn1	1600944526	AQJXPDJNUNRWOG-QJGQKNTRSA-N	305.334	1.760	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@@H]1CC1(F)F	1609558900	QQUXRABEIKVIPH-ZETCQYMHSA-N	314.683	1.618	50	20	DDGD	
O=C(O)[C@@H](C(=O)NNc1cccc([N+](=O)[O-])c1)C1CCCC1	1605898137	LPJAUZYGALLFQB-GFCCVEGCSA-N	307.306	1.929	50	20	DDGD	
O=C(CSc1ccccc1O)NN=Cc1cc(C(=O)O)co1	1608356015	FVMKUESZSWQISQ-UHFFFAOYSA-N	320.326	1.926	50	20	DDGD	
CC(C)(C)[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C(=O)O	1603525597	IVTDSKXNAMAUNO-BIRHUZIMSA-N	302.330	1.915	50	20	DDGD	
N#Cc1ccc(NNC(=O)Nc2cccc(CC(=O)O)n2)nc1	1608209192	ZYMKGOISXBAOLL-UHFFFAOYSA-N	312.289	1.124	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)C(=O)c2ccc(F)cc2)cc1	1602135921	AVFKVPAZBLTTBV-UHFFFAOYSA-N	316.288	1.779	50	20	DDGD	
O=C(NN[C@H](C(=O)O)c1cccc(Cl)c1)[C@@H]1CCCCO1	1608479430	GDCUEADHBCPYJH-RYUDHWBXSA-N	312.753	1.656	50	20	DDGD	
Cc1nn(C)c(C)c1CNC(=O)NNc1cccc(C(=O)O)c1	1610568587	OJIRRBRKUFIZOQ-UHFFFAOYSA-N	317.349	1.561	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CC1	1801641332	UUAKQQHXTYRUAI-YVECIDJPSA-N	314.813	1.003	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)/C=C\[C@H]1CCCO1	1610287980	SEEHVFPLGLNENO-JPVGGKMYSA-N	306.318	1.572	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1cc(C(=O)O)on1	1610700074	KGNWUXZPQIKEBD-UHFFFAOYSA-N	303.278	1.187	50	20	DDGD	
CO[C@@H]1CN[C@@](C)(C(=O)NNc2ccc3ccccc3n2)C1	1573960631	LHPFJYIKPXQNKL-BLLLJJGKSA-N	300.362	1.445	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)NC[C@@]1(C)CNCCO1	1579604275	DXZIAVBIKPJLGQ-CQSZACIVSA-N	312.801	1.653	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C[C@@H](N)C(F)F)c1C	1579767477	DJONCZCYWVGRMX-SECBINFHSA-N	316.377	1.604	50	20	DDGD	
CCCNNC(=O)[C@H](F)[C@H]1CCN(C(=O)OC(C)(C)C)C1	1577572959	WZCJSFKFULBJRH-WDEREUQCSA-N	303.378	1.612	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H](C)CN)c(Br)c1	1579230538	QDEFWVQPHWGEKH-SSDOTTSWSA-N	317.187	1.431	50	20	DDGD	
CC1(C)C[C@@]1(C(=O)O)C(=O)NNC(=O)CCc1ccccc1	1589219005	GAVRZHSSQMVQEX-INIZCTEOSA-N	304.346	1.268	50	20	DDGD	
NNC(=O)Nc1c(F)cc(I)cc1F	1580358421	GUFYRIUARKRMRE-UHFFFAOYSA-N	313.045	1.565	50	20	DDGD	
Cn1ncc(N)c1CCC(=O)NNC(=O)c1cccc(Cl)c1	1580006682	NFUGHZMPRWOKFW-UHFFFAOYSA-N	321.768	1.050	50	20	DDGD	
O=C(NNc1cc(Cl)nc2ncccc12)[C@@H]1[C@H]2CCNC[C@H]21	1580737206	MMKGUYRQQWUQEF-IYYTYJHQSA-N	317.780	1.582	50	20	DDGD	
COC[C@H](NC(=O)NNc1cccc(C(=O)O)c1C)C1CC1	1599173743	LQPZSYDYKDMKMZ-ZDUSSCGKSA-N	307.350	1.744	50	20	DDGD	
CSSCCN1C(=O)[C@H]2CC[C@@H](C(=O)O)CN2C1=O	1599804287	LTSBREMPEPGSGX-HTQZYQBOSA-N	304.393	1.125	50	20	DDGD	
O=C(O)Cc1cccc(NC(=O)NNC(=O)[C@H]2CCCCO2)c1	1595132028	ZCVAMSKTULVPFY-GFCCVEGCSA-N	321.333	1.036	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@@H]1CO[C@H](CCC(=O)O)C1	1594364785	FUWXIJURBAFYMJ-CMPLNLGQSA-N	310.325	1.847	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cccc(C)c1C(=O)O	1594867404	ZLYTYSYZZQMQMH-QMMMGPOBSA-N	314.363	1.049	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2ccc(C(=O)O)cc2)CC[C@@H]1C(=O)O	1776101078	PKEOJHHWLSHGJK-ZANVPECISA-N	318.329	1.991	50	20	DDGD	
CC(=NNC(=O)c1ccc(C)cc1O)c1cncc(C(=O)O)c1	1776036449	NJXCGRGLYSDQPX-UHFFFAOYSA-N	313.313	1.948	50	20	DDGD	
O=C(O)c1cc(F)c(C=NNC(=O)[C@@H]2CCCCO2)c(F)c1	1776077732	VZLAECMCWGXEDX-LBPRGKRZSA-N	312.272	1.682	50	20	DDGD	
O=C(NN/C=C1/C(=O)NC(=O)c2ccccc21)Nc1ccccc1	16720553	ICXPCJIDIVLINH-GXDHUFHOSA-N	322.324	1.624	50	20	DDGD	
C=C(C)COCCNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	162286493	RAHYVASYDQHISC-VIZOYTHASA-N	312.373	1.821	50	20	DDGD	
COC(=O)[C@H](NNC(=O)Cc1ccc(F)cc1)c1cccnc1	152120556	VQXYAJSCMWEOEM-OAHLLOKOSA-N	317.320	1.298	50	20	DDGD	
N#CCOc1ccccc1C(=O)NNc1ncccc1[N+](=O)[O-]	153629487	LQWGNEXRRMCGSG-UHFFFAOYSA-N	313.273	1.649	50	20	DDGD	
CS[C@@H](C)CC(=O)NNC(=O)COc1ccc(C)c(C)c1	155316573	RVZXRYSPBLUJPY-LBPRGKRZSA-N	310.419	1.971	50	20	DDGD	
CCN1CC[C@H]2CC[C@@H](C1)N2CCI	190929894	WVHXSMVCSWHGHM-MNOVXSKESA-N	308.207	1.980	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@H](C)OC)ccc1OC(C)C	55409416	FAKXYZKLERBWMO-JTQLQIEISA-N	310.350	1.278	50	20	DDGD	
C[C@@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)NNc2ncccn2)C1	56946999	XVXJNFTVPLMRIP-JHJVBQTASA-N	306.414	1.469	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCc1ccccc1F	103504404	OFIOZNZGDWBFQT-UHFFFAOYSA-N	302.309	1.294	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(C)ccc2[N+](=O)[O-])n1	173065531	WEPCXTVQDUXJTQ-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cn1	117679308	DYUUKTZUASJLFM-PSASIEDQSA-N	318.299	1.550	50	20	DDGD	
CCOc1ccc(CC(=O)NNc2nc(C)cc(OC)n2)cc1	174477441	NIBDUASUBAAAOD-UHFFFAOYSA-N	316.361	1.878	50	20	DDGD	
CC(C)c1noc(CCC(=O)NNC(=O)NCc2ccco2)n1	65176053	OZMQMFLNUJUYIH-UHFFFAOYSA-N	321.337	1.249	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cc(F)ccc2C)c1O	65112691	XNDFQRKJVNUXKC-UHFFFAOYSA-N	318.304	1.923	50	20	DDGD	
N#Cc1ncn(CC(=O)NNc2c(Cl)cccc2Cl)n1	178723792	ZVERGMBUKCRYNE-UHFFFAOYSA-N	311.132	1.600	50	20	DDGD	
CN(C)CC(=O)NNC(=O)COc1cc(Cl)cc(Cl)c1	175946948	IINQFDZISZPFSK-UHFFFAOYSA-N	320.176	1.081	50	20	DDGD	
CCCCCC(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12	29459789	AXKMQCKXFYYDCD-UHFFFAOYSA-N	302.334	1.264	50	20	DDGD	
N#Cc1ccc(F)c(CNC(=O)NNc2ccc(Cl)nn2)c1	174029100	FMXMLRNFZHIEOW-UHFFFAOYSA-N	320.715	1.967	50	20	DDGD	
O=C(NNc1ccccc1Cl)N[C@@H]1CC(=O)N(C2CC2)C1	177612734	UOVWNGABEJGBEE-SECBINFHSA-N	308.769	1.729	50	20	DDGD	
Cn1c(NNC(=O)CCc2ccco2)nc2ccccc2c1=O	172023200	KSWPTVDRKOLQEI-UHFFFAOYSA-N	312.329	1.602	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(C(C)=O)cn2C)n1	174473398	LTPALQQTRANAMP-UHFFFAOYSA-N	303.322	1.092	50	20	DDGD	
O=C(Cc1noc2ccccc12)NNC(=O)NCC(F)(F)F	60411759	DOSTUBUUPYVQIU-UHFFFAOYSA-N	316.239	1.263	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc(-n2ccnn2)cc1	179820887	CZJVKMJSKBHAJI-UHFFFAOYSA-N	302.338	1.466	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cc3ccccc3cc2O)cnn1C	120822209	ZMUPBKSJFXUDND-UHFFFAOYSA-N	324.340	1.662	50	20	DDGD	
O=C(NNC(=O)c1ccncc1Br)c1cccnc1	121935267	VKIUMVCCHMGYEO-UHFFFAOYSA-N	321.134	1.314	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(C)n(-c2ccc(C)cc2)n1	180100341	IVBGADFZZBWMTO-UHFFFAOYSA-N	303.322	1.882	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccnc(Br)c2)n1	126355589	CWHFVTVVEFUHIF-UHFFFAOYSA-N	324.138	1.400	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)COc2ccc(C)cc2)[nH]n1	128048714	OSWMANBVWOQVFV-UHFFFAOYSA-N	316.361	1.511	50	20	DDGD	
Cc1cc(C#N)ccc1S(=O)(=O)NNC(=O)CC(C)(C)C	76937312	GZGCZALZOKKTBG-UHFFFAOYSA-N	309.391	1.612	50	20	DDGD	
C[C@@](O)(CNC(=O)/C(C#N)=C\c1ccc(O)cc1)c1ccco1	185770877	JHPFPHFPEOSTIH-HOFZKYPUSA-N	312.325	1.916	50	20	DDGD	
CC(C)c1nnc(CCC(=O)NNc2nnc(C3CC3)s2)o1	184541729	OIYWKFCKFRRETK-UHFFFAOYSA-N	322.394	1.998	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2ccc(C)cn2)cc1	184265365	ZFOFXXRRBVULKA-UHFFFAOYSA-N	314.345	1.930	50	20	DDGD	
CC(=O)N1CCc2cc(C(=O)NNc3ncc(F)cn3)ccc21	123088653	KMIBVAYIZYUJFT-UHFFFAOYSA-N	315.308	1.282	50	20	DDGD	
C[C@@H]1CN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C[C@H](C(N)=O)O1	122870572	QZUFFRFZGGSIHA-JWDJTURDSA-N	316.317	1.034	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)NC2CCCC2)c1	31025389	MAJJKRAMQZZEMD-UHFFFAOYSA-N	305.378	1.955	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2csnn2)c1C	75473323	DVDHBVZLSVTGTG-SNVBAGLBSA-N	320.374	1.383	50	20	DDGD	
CO[C@H]1CCCC[C@H]1NC(=O)NNC(=O)Cc1ccc(F)cc1	75100500	UFBCUFYPFOVUFW-KGLIPLIRSA-N	323.368	1.656	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CNC(=O)C(C)(C)C)cc1	72601811	ZQFRYULGBYZKAI-UHFFFAOYSA-N	305.378	1.172	50	20	DDGD	
O=C(CCn1cnc2ccccc2c1=O)NNc1ccncc1	180533043	JCNVOPSZNMZWIL-UHFFFAOYSA-N	309.329	1.325	50	20	DDGD	
COC(=O)Cc1cccc(C(=O)NNC(=O)c2ccccc2)c1	189411841	KYYCNLHHRQTZIH-UHFFFAOYSA-N	312.325	1.477	50	20	DDGD	
CCCN(CCC)C(=O)c1cccc(C(=O)NN(C)C(N)=O)c1	182644219	ZPHZYJLAYZXUEG-UHFFFAOYSA-N	320.393	1.604	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CCCNc1ccc([N+](=O)[O-])cc1	130807710	TXFFFIOPJXTTTC-UHFFFAOYSA-N	322.365	1.980	50	20	DDGD	
O=C(NCCCOc1ccc(F)cc1)NNc1cccnn1	77350453	HMQPCOMRIVMWSO-UHFFFAOYSA-N	305.313	1.711	50	20	DDGD	
Cc1cc(C)n(CCCNC(=O)NNC(=O)c2ccccc2)n1	43099231	GTHHKRMYQSXYCY-UHFFFAOYSA-N	315.377	1.534	50	20	DDGD	
O=C(CC[C@H]1Cc2ccccc2NC1=O)NNc1ncccn1	44716974	GJQXNEKUBMMDGR-LBPRGKRZSA-N	311.345	1.511	50	20	DDGD	
Nc1ncc([N+](=O)[O-])cc1C(=O)NNc1ccc2ccccc2n1	186305049	VFFMQNGYFJUFAM-UHFFFAOYSA-N	324.300	1.877	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cc(Cl)ccc1F	194901104	LOPFEUKEVOFJPZ-UHFFFAOYSA-N	301.705	1.166	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNC(=O)c1ccc(Cl)nc1	194552779	PSWLIMJPHJQERQ-UHFFFAOYSA-N	307.741	1.160	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCOCC(F)F)cc1	190530368	QVUDUONDHDAXRB-UHFFFAOYSA-N	316.304	1.193	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccc(Cl)cn2)cc1	134487992	RCMWROSEUMFWKF-UHFFFAOYSA-N	319.748	1.883	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc(F)cc2nccnc12	194050640	CFWAGRHHVBLZGE-UHFFFAOYSA-N	313.292	1.182	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)C(=O)c1ccccc1	194267317	WIYRFXJBKJFUQA-UHFFFAOYSA-N	321.336	1.672	50	20	DDGD	
CC(C)Oc1cncc(C(=O)NNc2nc3ccccn3n2)c1	191893728	PDXVLFANCIVPFB-UHFFFAOYSA-N	312.333	1.668	50	20	DDGD	
C[C@@H]1[C@@H](NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)CCC[C@H]1C	249331229	WSWFCOSQEXSOBJ-UHXUPSOCSA-N	317.455	1.192	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1O	268309791	GCSGOAKGUDRLJR-ZETCQYMHSA-N	314.725	1.006	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CCCSC2)cc1	267289673	IMEHUBTZKPAAFR-GFCCVEGCSA-N	323.418	1.600	50	20	DDGD	
O=C(NC[C@@H]1CCOC1)NNC(=O)c1ccc(Cl)cc1F	266974190	HUOTVPNKIJLWNQ-QMMMGPOBSA-N	315.732	1.460	50	20	DDGD	
O=C(NNC(=O)C1(c2cccnc2)CCCC1)c1ccncc1	368220024	DIORYYWORHUTSK-UHFFFAOYSA-N	310.357	1.750	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2nnc(CC(C)C)s2)n1	274850182	XURUKEQTZFAELI-UHFFFAOYSA-N	323.382	1.684	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cccc(C#N)c1	276626072	VITJHYPIRVGBRC-UHFFFAOYSA-N	305.334	1.108	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2	367780847	GAGGLTMZDVCTGN-CHISNJGVSA-N	305.353	1.995	50	20	DDGD	
O=C(NNC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)c1ccc[nH]1	363022492	BGCVJXIBEUOTQL-CHISNJGVSA-N	303.362	1.107	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cccc3c2OCC3(C)C)cn1	278964001	KUIMLMKYBZTTNX-UHFFFAOYSA-N	314.345	1.165	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)CC[C@H](C)OC)cc1	272775147	ACFUFBCXQUYCRS-NSHDSACASA-N	309.366	1.070	50	20	DDGD	
COC(=O)c1cccc([C@@H](NNC(=O)CC(C)C)C(=O)OC)c1	270028358	PNNZWAIEUGBXJI-CQSZACIVSA-N	322.361	1.354	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@H]2CCCN2C2CC2)c1	279810150	XFANAVOYLOEBMA-OAHLLOKOSA-N	317.389	1.148	50	20	DDGD	
CCNC(=O)CCCC(=O)NNc1cccc(F)c1[N+](=O)[O-]	279419346	SWRDVIKRPPOZCL-UHFFFAOYSA-N	312.301	1.483	50	20	DDGD	
O=C(NNc1ncccc1F)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O	286127856	XGAAMPWNNZBUSQ-SVRRBLITSA-N	320.246	1.121	50	20	DDGD	
Cn1ccnc(NNC(=O)CCSCc2ccccc2)c1=O	280565222	LWZKHZLCHPFMOQ-UHFFFAOYSA-N	318.402	1.547	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)C(C)(C)O)c1c[nH]c2ccccc12	280378697	WULDSSLQFQUJDO-JTQLQIEISA-N	303.362	1.580	50	20	DDGD	
Cc1cc(=O)cc(C)n1CCCC(=O)NNC(=O)C(C)(C)C	289407384	BDOSPKXYTKRSPP-UHFFFAOYSA-N	307.394	1.439	50	20	DDGD	
CC(C)(O)CC(=O)NNc1nc(-c2ccc(Cl)cc2)no1	281067004	ZOJNIHXTHOMFHU-UHFFFAOYSA-N	310.741	1.994	50	20	DDGD	
CC[C@H](C)CCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	284955678	DMZXZEMUVZBUIR-FZMZJTMJSA-N	306.362	1.800	50	20	DDGD	
CSSCCNC(=O)NNC(=O)Cc1ccc(F)cc1	284170091	KIXGKFJLZZEREW-UHFFFAOYSA-N	317.411	1.710	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@@H]1CC[C@@H](C(N)=O)O1	281224472	OOISWJSKVWAHBI-STQMWFEESA-N	314.345	1.019	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)C(C)(C)C)cc1	283029014	ZKCBMLGGLLJMAL-NSHDSACASA-N	305.378	1.763	50	20	DDGD	
COCCOc1cncc(C(=O)NNC(=O)c2ccc(C)o2)c1	283222123	ODGALXRHACKIJV-UHFFFAOYSA-N	319.317	1.083	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@](C)(O)CCc2ccccc2)o1	283258361	QRWCTPAALCDFCY-QGZVFWFLSA-N	316.357	1.733	50	20	DDGD	
Cc1nc2cccc(C(=O)NNc3cc(Cl)nc(N)n3)c2[nH]1	801951090	QAPHMENSQQZRMJ-UHFFFAOYSA-N	317.740	1.654	50	20	DDGD	
Cn1cc(CCCNC(=O)NNc2ncc(F)cc2F)cn1	297841119	YWBUXQQIQPFFGV-UHFFFAOYSA-N	310.308	1.352	50	20	DDGD	
COc1cc(C)cc(C(=O)NNC(=O)[C@@H]2CCCCO2)c1O	295349282	IMLAQCZSBWWNHH-NSHDSACASA-N	308.334	1.039	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CSC[C@H]2C)c1	807476488	GFYGSNBXWDRRLT-BXKDBHETSA-N	309.391	1.851	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1cccc2nn[nH]c12	803429373	UXWVSMWHENMQIL-UHFFFAOYSA-N	320.312	1.556	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)c2ccc3c(c2)OCO3)[nH]n1	292519311	OAYHOHIMQHDVLF-VIFPVBQESA-N	316.317	1.012	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H]1C(=O)NNc1cccc(NC(C)=O)c1	293847352	FZAFPIVRMIFTOL-STQMWFEESA-N	305.334	1.287	50	20	DDGD	
C[C@@H]1CC[C@@H](NC(=O)NNc2ccc(-n3ccnc3)nn2)C1	805318788	BJPUZFDCPPYCQA-GHMZBOCLSA-N	301.354	1.477	50	20	DDGD	
CC[C@@H](C)CONC(=O)NNC(=O)COCc1ccccc1	291905271	QAWSUGFPRGFHCM-GFCCVEGCSA-N	309.366	1.511	50	20	DDGD	
Cc1ccc(C[C@@H](C)C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	293917862	AVUFBWIKBBUJGU-IPYPFGDCSA-N	304.390	1.889	50	20	DDGD	
COCCn1cc(C(=O)NNc2cc(C)ccn2)c(=O)cc1C	807036223	WOLXIMSXZKVHOA-UHFFFAOYSA-N	316.361	1.263	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc(C(F)(F)F)cn1	295343793	IDDWLAUSINSZEA-JTQLQIEISA-N	317.267	1.431	50	20	DDGD	
O=C(NNc1cccc(F)n1)Nc1ccc(-n2cnnn2)cc1	806144969	YXMQNEOWBBPMSZ-UHFFFAOYSA-N	314.284	1.345	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNc2cccc(F)n2)c1F	807391309	MMUSQCWBMHXDHH-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
CCOc1nc(C(=O)NNc2nccnc2C2CCC2)co1	805460095	QZGATJRNQFATFA-UHFFFAOYSA-N	303.322	1.888	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc2c(C)cc(O)nc2c1	813364160	HUZFLDWRTCYQFR-UHFFFAOYSA-N	316.386	1.544	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)c2c[nH]c3ccccc23)n1	814783928	BXIYQZIUZZADMS-UHFFFAOYSA-N	312.333	1.163	50	20	DDGD	
Cc1ccc(C2(C(=O)NNC(=O)C(=O)NC(C)C)CCC2)cc1	819028309	GCBRNMNTMAZOLO-UHFFFAOYSA-N	317.389	1.089	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc2cc(C)ccc2n1	814718388	VEWSCUJVFINKMO-UHFFFAOYSA-N	300.387	1.838	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCN(C(=O)C2CC2)C1	817671946	LMUJUHNLXLOPKD-SNVBAGLBSA-N	317.227	1.834	50	20	DDGD	
CCCCS(=O)(=O)c1ccc(C(=O)NN(C)C2CC2)cc1	819652006	YAFPOOLSAHZSBE-UHFFFAOYSA-N	310.419	1.999	50	20	DDGD	
Cc1nc(O)nc(O)c1CCC(=O)NNc1ccc(Cl)cc1	817907025	MPXYVBAZNJLLJV-UHFFFAOYSA-N	322.752	1.926	50	20	DDGD	
O=C(NCCOC[C@@H]1CCCO1)NNc1cccc(Cl)n1	814301970	KUZOIEOJYDXQIN-JTQLQIEISA-N	314.773	1.557	50	20	DDGD	
COc1cccc([S@](=O)CC(=O)NCC(Cl)Cl)c1	819533765	OMKGMUYYGNPEMM-GOSISDBHSA-N	310.202	1.723	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ncc(OC)cn1	815952429	KYCHXBNNHORLAJ-UHFFFAOYSA-N	302.290	1.029	50	20	DDGD	
COC(=O)CCC[C@H]1CCCC(=NNC(=O)C(=O)NC2CC2)C1	814778148	SMMVYFXXWPUHMZ-LLVKDONJSA-N	323.393	1.271	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cc(-c2nn[nH]n2)cs1	819940164	QWVHPAWVIUGBSX-UHFFFAOYSA-N	310.339	1.098	50	20	DDGD	
Cc1ccccc1[C@@H]1CCN(CC(=O)NNC(=O)C(C)C)C1	827630788	XDJWOPKKYUXWCK-CQSZACIVSA-N	303.406	1.588	50	20	DDGD	
CC(C)C[C@H](CNC(=O)/C(C#N)=C\c1cnn(C)c1)N(C)C	491014136	WEHNESVLTDCXPK-XIEDVDOYSA-N	303.410	1.420	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cccc3c2OCO3)c1	728826467	JIXKJYWWKTZTLH-UHFFFAOYSA-N	309.281	1.362	50	20	DDGD	
CN1CC[C@H](CNC(=O)/C(C#N)=C\c2ccc(F)cc2)CC1=O	491047137	IFTLKRKUCVXKJA-IAOKNECISA-N	315.348	1.717	50	20	DDGD	
CN(NC(=O)CCCNC(=O)C(C)(C)C)C(=O)OC(C)(C)C	496208735	SUABWGGNZUVPBU-UHFFFAOYSA-N	315.414	1.827	50	20	DDGD	
N#CCc1cccc(C(=O)NNc2nc(-c3cccnc3)no2)c1	728077094	PEMWFODXOWHBMR-UHFFFAOYSA-N	320.312	1.955	50	20	DDGD	
Cc1ccnc(NNC(=O)CCc2ccc(-c3nn[nH]n3)cc2)c1	822374056	JFOPWVABSLGAQN-UHFFFAOYSA-N	323.360	1.646	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC[C@H]1c1cccc(F)c1	827468788	YQOVVAPTHYQVMO-AWEZNQCLSA-N	307.369	1.766	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](COC(=N)O)Cc1ccccc1	490971026	IGZYIJPBIMOYNG-ZVHGMHCTSA-N	317.345	1.667	50	20	DDGD	
CCOC(=O)N[C@H](C(=O)NNC(=O)CC1CCCC1)C(C)C	490917231	SAMNXWOZXJBNRZ-ZDUSSCGKSA-N	313.398	1.485	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H](CN1CCCC1)c1ccccc1	824404490	RCCKGMWCQZVHGV-HNNXBMFYSA-N	318.421	1.605	50	20	DDGD	
Nc1nc(C2CCCC2)ncc1C(=O)NNC(=O)NCC1CC1	823810415	LCIOEEYUIFNEMV-UHFFFAOYSA-N	318.381	1.070	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(Oc2ccccc2)ccn1	823952103	OJZVIHIAXSHOHL-LBPRGKRZSA-N	301.346	1.831	50	20	DDGD	
C[C@H](c1cccnc1)N(C(=O)c1ccc(B(O)O)cc1)C1CC1	584939735	MNVHDOYKSWLEAG-GFCCVEGCSA-N	310.162	1.127	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H]2CCN(C)[C@@H]2C)n1	826970349	KUOLJDTUQGKJOJ-VXGBXAGGSA-N	306.414	1.106	50	20	DDGD	
CC(C)(O)CN1CCN(C(=O)[C@]2(C)C[C@@H]2Br)CC1	906602851	TXBIBSNQCMXHTR-GXFFZTMASA-N	319.243	1.075	50	20	DDGD	
CCN(CCO)NC(=O)CCCc1nc(O)c2ccccc2n1	823841924	MTLQJALPDXCYBM-UHFFFAOYSA-N	318.377	1.004	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@]2(C)CCOC2)cc(C#N)n1C	490637654	HQJYDXZGNPKFOV-ZZZKQGFOSA-N	312.373	1.655	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1csc(-c2ccoc2)n1	738555628	CWQLWOZNRPOQRH-UHFFFAOYSA-N	322.415	1.627	50	20	DDGD	
CC1(CNC(=O)c2cc(B(O)O)ccc2F)CCCCCC1	584970606	DHFWGWXGBURLTN-UHFFFAOYSA-N	307.174	1.596	50	20	DDGD	
COc1ccnc(C(=O)NNc2nc(-c3cccnc3)no2)c1	734815627	KDKGXDLPSHIZHG-UHFFFAOYSA-N	312.289	1.292	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C/c1c(OC)cc(OC)cc1OC	490588154	RKWIUHMKDRNDPS-YRNVUSSQSA-N	302.330	1.922	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@@H]1CCN(CC(F)F)C1	496680495	INTYUXCRZGFNBH-MRVPVSSYSA-N	308.329	1.065	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1C[C@H]2C3CCC(CC3)[C@@H]2C1	585009473	YGPGEABFYPXMMY-HBGGEXNNSA-N	317.169	1.014	50	20	DDGD	
CN(C)C(=O)NNC(=O)Cc1ccccc1OC1CCCC1	837377599	XZFQAPVBDPYSBI-UHFFFAOYSA-N	305.378	1.853	50	20	DDGD	
COC(=O)c1cc(NNC(=O)N[C@@H]2CCSC2)ccc1F	838497807	VAQZJXSGGSHBIV-SECBINFHSA-N	313.354	1.744	50	20	DDGD	
O=C(CCCc1ccc(O)c(F)c1)NNC(=O)[C@H]1CCCCO1	833241531	BLPNPBJEZIPNPO-CQSZACIVSA-N	324.352	1.571	50	20	DDGD	
OB(O)c1cccc(CNC2CCN(CC3CCCC3)CC2)c1	585034113	INMHZHZSNOJTDS-UHFFFAOYSA-N	316.254	1.111	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CC[C@@H]2CC[C@]21c1ccccc1	585010351	OIKNAGXMCYOKEQ-LPHOPBHVSA-N	321.185	1.518	50	20	DDGD	
CN(C)CC1CCN(C(=O)[C@]2(C)C[C@H]2Br)CC1	906672998	ANJRSFOPCBONHR-DGCLKSJQSA-N	303.244	1.960	50	20	DDGD	
COCCN(C)NC(=O)c1cnc(S)n1-c1ccc(F)cc1	837622483	UEKYKVBCMVKVOD-UHFFFAOYSA-N	324.381	1.523	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)Cc2nc3ccccc3n2C)[C@@H](C)O1	834926163	ILJLZOPPFMSDEA-GHMZBOCLSA-N	300.362	1.785	50	20	DDGD	
CC(C)CC(CC(C)C)C(=O)NNC(=O)N1CCN(C)CC1	830240849	SHUXJGNROCUCKP-UHFFFAOYSA-N	312.458	1.683	50	20	DDGD	
CCc1nc(CNC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)co1	836985939	KPQRVZFBJCEBFY-ACAGNQJTSA-N	323.356	1.979	50	20	DDGD	
CCCCCCO[C@@H](C)C(=O)NNc1ccnc(N(C)C)n1	839688611	QFWAXEKSXWQBOX-LBPRGKRZSA-N	309.414	1.971	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCNc1ncccn1	733890009	FSSUIOFDXRCVIU-UHFFFAOYSA-N	322.800	1.371	50	20	DDGD	
COC(=O)[C@H](C)CS[C@H](C)C(=O)NNC(=O)CC(C)C	734980889	CLTUWNPHVFFWOI-NXEZZACHSA-N	304.412	1.111	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)C1(C(=O)C2CC2)CC1	831754666	UZFYEHBIXYOSNC-UHFFFAOYSA-N	301.346	1.907	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NC[C@H](OC)C2CC2)cc1	836490825	MZIKGRKPABOOLM-ZDUSSCGKSA-N	322.365	1.456	50	20	DDGD	
CCC(CC)c1nnc(NC(=O)c2cccc(B(O)O)c2)s1	584933369	GCFDIDJSFOLGAY-UHFFFAOYSA-N	319.195	1.374	50	20	DDGD	
CO[C@@H]1CC(=NNC(=O)COc2ccccc2C#N)C12CCC2	834926943	FYXGUJBLTOXMHP-OAHLLOKOSA-N	313.357	1.998	50	20	DDGD	
COc1ccc2c(c1)OC(C)(C)CC2=NNC(=O)C(C)(C)O	834972581	MGRAAUOHLYYSRF-UHFFFAOYSA-N	306.362	1.848	50	20	DDGD	
O=C(CNC(=O)N1CCCC1)NNc1cc(F)cc(Cl)c1	912451227	FHEGQDHVOPHSRM-UHFFFAOYSA-N	314.748	1.728	50	20	DDGD	
Nc1cc(C(=O)NN=Cc2cn3ccccc3n2)cc([N+](=O)[O-])c1	918710560	UCGWGUMIPIYAKV-UHFFFAOYSA-N	324.300	1.589	50	20	DDGD	
C=C(CC)CNC(=O)NNC(=O)CSc1ccccc1O	836653151	FMYLWOXEMJQYEZ-UHFFFAOYSA-N	309.391	1.781	50	20	DDGD	
Cc1ccccc1OCCNC(=O)NNC(=O)C1CCCC1	918127892	ACIDLUQLZVQUHD-UHFFFAOYSA-N	305.378	1.894	50	20	DDGD	
Cc1ccc(Cl)c2c1NC(=O)C2=NNC(=O)[C@@H]1CCCCO1	834988148	FGBSOIATGLYQIJ-JTQLQIEISA-N	321.764	1.990	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)COC(=O)C2CCCC2)c1	744475946	RBCCKPSCKDHBPM-UHFFFAOYSA-N	315.329	1.053	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@H]1CCc2cncn2C1	844142335	RBXUQEGCRYJPLR-LBPRGKRZSA-N	312.377	1.646	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@]1(Cl)C[C@H]2CC[C@H]1O2)C1CC1	912161184	QMPUXOXLUYBSBC-OJPPFWEXSA-N	317.842	1.209	50	20	DDGD	
COc1cc(C(=O)NNC(=O)NC(C)C)cc2c1O[C@H](C)C2	745139859	TVQSDKYTMZWVHB-SECBINFHSA-N	307.350	1.371	50	20	DDGD	
Cn1nc(C(=O)NN=Cc2ccncc2)c2ccccc2c1=O	916316480	VZUMLMLETMJVKS-UHFFFAOYSA-N	307.313	1.092	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1ccccn1)N1CCc2ccccc21	847281050	RJEKKPANIQFBKB-ZDUSSCGKSA-N	324.384	1.684	50	20	DDGD	
CSc1c(F)cccc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843656403	PGWQYFXVZWZUGX-IUCAKERBSA-N	312.366	1.734	50	20	DDGD	
CNS(=O)(=O)c1ccc(C(C)=NNC(=O)NC(C)C)cc1	745012844	OZNYKVAGQRZLPE-UHFFFAOYSA-N	312.395	1.026	50	20	DDGD	
CCCN(CC(=O)NNC(=O)c1ccc(C#N)cc1)C(C)C	847024173	FHIGNILPDYQFPY-UHFFFAOYSA-N	302.378	1.440	50	20	DDGD	
Cc1cc(C)n(CCC(=O)NNC(=O)CCc2ccccc2)n1	749801207	XHWXQASKVZNZAN-UHFFFAOYSA-N	314.389	1.670	50	20	DDGD	
COc1cccc(C=NNC(=O)NCC(F)(F)F)c1OC	917553932	ZBEJCYJDXZRBPE-UHFFFAOYSA-N	305.256	1.899	50	20	DDGD	
CC(C)Cn1ncc2cc(C(=O)NNC(=O)N(C)C)cnc21	748231134	WMTOOKAELBSPBB-UHFFFAOYSA-N	304.354	1.003	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1c(O)cccc1Cl	743473868	UZTOKLANPOVUIL-UHFFFAOYSA-N	304.697	1.469	50	20	DDGD	
CSSCCNC(=O)NCc1nnn(C(C)(C)C)n1	847370334	YFECPLFIUSLANY-UHFFFAOYSA-N	304.445	1.239	50	20	DDGD	
COCC1(CC(=O)NNC(=O)COc2ccc(C)cc2)CC1	843755242	CEUHBFGBSJFLSM-UHFFFAOYSA-N	306.362	1.338	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)Cc1ccc(F)c(Br)c1	910170004	IIIARLRPIYQKIW-QMMMGPOBSA-N	319.174	1.475	50	20	DDGD	
COc1cccc(OC)c1C(=O)NNC(=S)N[C@@H](C)C1CC1	841482243	SBEGIAKNLJTGIQ-VIFPVBQESA-N	323.418	1.611	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2ccc(O)nc2)o1	841621988	JTPDGHCZQHQFHC-UHFFFAOYSA-N	316.361	1.986	50	20	DDGD	
O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21	913733201	ZGTAZKCBTVSFPW-MGPQQGTHSA-N	321.421	1.363	50	20	DDGD	
Cc1ccc2oc(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)cc2c1	843645718	NZSZJJDGLZOAHD-CMPLNLGQSA-N	302.330	1.927	50	20	DDGD	
O=C(NNC(=O)c1c(F)c(F)cc(F)c1F)c1ccc[nH]1	748515747	QRWWKMZQSDWPPS-UHFFFAOYSA-N	301.199	1.646	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@@H](OC2CCC2)C1	847034828	BPQGAUBYBZZTTI-CYBMUJFWSA-N	311.426	1.213	50	20	DDGD	
CCOc1nc2sccn2c1C=NNC(=O)[C@@H]1CCO[C@@H]1C	842557794	WHRSWXYOVDMSPB-NXEZZACHSA-N	322.390	1.670	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(C(=O)OC(C)(C)C)nc1	846123515	YRXVBNKGSVAEHK-UHFFFAOYSA-N	309.366	1.260	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)C(C)(C)CO2	843653069	DDXLOGRVYVVOOD-PWSUYJOCSA-N	318.373	1.543	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=S)NC(C)(C)C	849167397	BQQATAZVMGRFOP-CABZTGNLSA-N	323.418	1.509	50	20	DDGD	
Cn1ncnc1C=NNC(=O)CC12CC3CC(CC(C3)C1)C2	842523758	WPRFACQHANAQNP-UHFFFAOYSA-N	301.394	1.872	50	20	DDGD	
O=C(NNc1cnccn1)[C@H]1CCO[C@@H](c2ccccc2)O1	847755467	YINUCMDMEDAWRB-IUODEOHRSA-N	300.318	1.424	50	20	DDGD	
CCc1nn(C)cc1NC(=O)NNc1cc(Cl)nc(C)n1	841675546	VGQBSVCDMRTOPP-UHFFFAOYSA-N	309.761	1.883	50	20	DDGD	
COc1cc(F)c(C=NNC(=O)[C@H]2CCO[C@@H]2C)cc1OC	844602948	ZMILSZKEAJDWTG-KOLCDFICSA-N	310.325	1.718	50	20	DDGD	
C[S@](=O)C1(CNC(=O)NNc2ccc(F)c(F)c2)CCC1	922331660	IJFVBSPSWPFCLF-NRFANRHFSA-N	317.361	1.892	50	20	DDGD	
CCOC(=O)NNC(=O)Cc1c(C)nc([C@@H](C)CC)nc1C	847283849	OIZPMKXKBHDQCY-VIFPVBQESA-N	308.382	1.927	50	20	DDGD	
Cc1ccc(NC(=O)C2(CNC(=O)NN)CCCC2)cc1C	841851369	PTULXNOAXNRESR-UHFFFAOYSA-N	304.394	1.975	50	20	DDGD	
CC(C[C@@H]1CCCC(=O)N1)=NNC(=O)c1cccc(C(=O)O)c1	853425893	IEEOAGDPAAFSDN-ZDUSSCGKSA-N	317.345	1.549	50	20	DDGD	
C[C@@H]1CC=C(C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)CC1	855825844	NMZJODTXVPTYGH-GFCCVEGCSA-N	323.437	1.823	50	20	DDGD	
COc1ccnc(NNC(=O)Cc2ccc3c(c2)COC3)n1	755009061	AOVVBACIMBXLLT-UHFFFAOYSA-N	300.318	1.201	50	20	DDGD	
Cc1cc(OCC(=O)NC[C@@]2(C)C[C@@H]2Br)no1	857403533	IXULIJQTJVQPQH-GZMMTYOYSA-N	303.156	1.652	50	20	DDGD	
CO[C@@]1(C)C[C@@H](NC(=O)NNc2ncc(Cl)cn2)C1(C)C	856873936	YCHWBHLSGLTMLB-RNCFNFMXSA-N	313.789	1.960	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](C)[C@H]2CN(C)CCO2)cc1F	853877030	PLKQANBCGXVVQW-BXUZGUMPSA-N	310.373	1.479	50	20	DDGD	
O=C(NN=Cc1cccc(F)c1O)[C@H]1COc2ccccc2O1	755484583	RAWNAZVLOGGMGV-CQSZACIVSA-N	316.288	1.821	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1cnn(CC(F)F)c1	756703049	AQHUDGHDHRNCPZ-UHFFFAOYSA-N	310.264	1.010	50	20	DDGD	
CCNC(=O)c1cccc(NC(=O)NNC(=O)C2CCCC2)c1	755515494	WPKODTYSCOETPW-UHFFFAOYSA-N	318.377	1.779	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1cc(C)ccc1C(F)(F)F	850410323	KYSUWPDMIMPBEX-UHFFFAOYSA-N	303.240	1.120	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1c[nH]c(C(N)=O)c1	756969366	LUXIWYGQGBNFHU-UHFFFAOYSA-N	309.757	1.418	50	20	DDGD	
CCC[C@@H](C(=O)NNC(=O)CN1CCCC1=O)c1ccccc1	920825549	CCOLSOSORQCOFW-CQSZACIVSA-N	317.389	1.340	50	20	DDGD	
CN1CC[C@@H]1CNC(=O)NNc1ccc(OC(F)F)cc1	925408202	PKHLFVUZJFIKKW-SNVBAGLBSA-N	300.309	1.618	50	20	DDGD	
CCOc1ccc(CC(=O)NNC(=O)OCC(F)(F)F)cc1	856026809	MVWKAJLZVUMRCX-UHFFFAOYSA-N	320.267	1.948	50	20	DDGD	
O=C(CC(C1CCC1)C1CCC1)NNC(=O)C(=O)N1CCCC1	858934923	CDVRUFPIUXMYMX-UHFFFAOYSA-N	321.421	1.363	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(c2nc(N)nc(N)n2)C1	858631669	HBYAQMAHNFXECU-SECBINFHSA-N	310.478	1.637	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@]1(C)CCC[C@H]1C	854388622	QYXWWUKIICCAAP-RISCZKNCSA-N	300.399	1.749	50	20	DDGD	
CCc1ccc([C@H](C)C(=O)NNC(=O)Cc2cc[nH]n2)cc1	755287051	VBXJUSPFWFJUQN-NSHDSACASA-N	300.362	1.466	50	20	DDGD	
COC(=O)N1CCC(C(=O)NNc2ccccc2[N+](=O)[O-])CC1	854144885	KNCHZZBMWDLGRY-UHFFFAOYSA-N	322.321	1.516	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cnn(C2CCCC2)c1	925871199	PNULYPOZBNJQNX-ZWNOBZJWSA-N	321.381	1.576	50	20	DDGD	
N#C[C@]1(C(=O)NNC(=O)OCC(F)(F)F)CC12CCCC2	856019585	XWWSTQYYVVUTLG-NSHDSACASA-N	305.256	1.780	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H](C)c1nccc(N)n1	854760688	ZNLBPMYMSSHEMR-SECBINFHSA-N	322.800	1.602	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NNC(=O)NC(C)C)C1	751382476	PLLJCVWARDADMG-NWDGAFQWSA-N	312.414	1.010	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N(C)C[C@@H]2CCCN2C)c1	858707566	YXKVSMSDPJUCTM-NSHDSACASA-N	310.423	1.437	50	20	DDGD	
Cc1ccnc(NC(=O)NNC(=O)COc2ccccc2O)c1	752807226	AJLQABLYGWCJRI-UHFFFAOYSA-N	316.317	1.327	50	20	DDGD	
Cn1c(=NNC(=O)NC[C@@]2(C)CCCO2)sc2ccccc21	755232874	XWVFAPWLPKPWCR-OAHLLOKOSA-N	320.418	1.924	50	20	DDGD	
CC(C)C[C@H]1CCN(C(=O)NNC(=O)c2cccc(F)n2)C1	852709344	SLYKTDCETBNLKL-LLVKDONJSA-N	308.357	1.943	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@@H](c2cc[nH]n2)C1)C1CCCC1	753345709	SGYMLFCXLTZPKA-GFCCVEGCSA-N	305.382	1.520	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1cccc(N(C)C)c1)C1CC1	852597078	QTQRWCDWFXEKEP-AWEZNQCLSA-N	304.394	1.885	50	20	DDGD	
Cc1ccccc1O[C@@H](C)CNC(=O)NNC(=O)c1cn[nH]c1	858255403	ZCSWBKAMRCYJBN-NSHDSACASA-N	317.349	1.130	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2ccc[nH]2)c(N(C)C)n1	757762245	QUBDHONQTNXIPK-UHFFFAOYSA-N	302.338	1.251	50	20	DDGD	
COC[C@H]1CCCN1C(=O)NNC(=O)c1ccccc1OC	752009904	JVLDLZKBSGAYCJ-LLVKDONJSA-N	307.350	1.160	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccc([N+](=O)[O-])cc1O	855089094	BVBGMLDPNUMVBI-UHFFFAOYSA-N	324.362	1.209	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1cccc(-n2cccc2)c1	756336389	XGRWKBBVRNITPG-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1cc(C(F)F)n(C)n1	934830704	VPPJHFANQSBLSP-UHFFFAOYSA-N	322.315	1.670	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@]1(CC)CCNC1=O)c1ccccc1	865695871	RMWSCYVNPDPMDK-CXAGYDPISA-N	317.389	1.244	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)NC1CC(C)C1	761727133	WCHHMNDMCOASCE-UHFFFAOYSA-N	323.418	1.916	50	20	DDGD	
COc1ccnc(C(C)=NNC(=O)Cc2nc(C)cs2)c1	863076436	RHJHTBCRXKWNHR-UHFFFAOYSA-N	304.375	1.938	50	20	DDGD	
Cc1ccc(C[C@H](C)C(=O)NNC(=O)Cc2cc(C)[nH]n2)cc1	869015597	SYHXIBVECMIBFG-LBPRGKRZSA-N	314.389	1.595	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NN(C)CCOC	861657210	QNZKXIQOWYNNSE-LLVKDONJSA-N	303.403	1.241	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNc1nccnc1C1CCC1	935978133	RSUJNVXTQJOBRN-GHMZBOCLSA-N	304.350	1.386	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1CC(=O)NNCC(F)(F)C(F)(F)F	863095135	IMNNEUIYNBNEJW-OCAPTIKFSA-N	303.275	1.678	50	20	DDGD	
O=C(Cc1ccccn1)NN=Cc1n[nH]c2cc(C(=O)O)ccc12	765578115	WXHLSNBDEBGTDN-UHFFFAOYSA-N	323.312	1.349	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)C2(F)CCOCC2)c1	867240224	WYEAQKMBSYOTIR-UHFFFAOYSA-N	316.354	1.052	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(F)c(Cl)c1)N1C(=O)CCC1=O	863078642	IWLHKLRUPSIBKA-ZETCQYMHSA-N	313.716	1.460	50	20	DDGD	
Cn1nc(C(=O)NNc2cccc(C#N)c2)cc1OC(F)F	768299153	COYJEXIZCXTEKR-UHFFFAOYSA-N	307.260	1.650	50	20	DDGD	
COC(=O)[C@@]1(NC(=O)[C@@H](Br)C(C)(C)C)CCOC1	768253932	SUCHILFLYNHRLK-PRHODGIISA-N	322.199	1.244	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)c2cnn(C(C)(C)C)c2)n1	1115858444	RECKIAHOFSITHH-UHFFFAOYSA-N	316.365	1.371	50	20	DDGD	
Cc1ccc2c(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)csc2c1	862458723	HWWJVXSJPLLYHJ-NSHDSACASA-N	317.370	1.249	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1ccc(N2CCCCC2)cc1	1116189128	CJAOQLHQYSOZMK-UHFFFAOYSA-N	303.362	1.690	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNC(=O)c2cn[nH]c2)cc1	862472866	VMUKUUMMHRXBBG-JTQLQIEISA-N	302.334	1.058	50	20	DDGD	
COC(=O)Cc1ccc(NC(=O)NN(C)C(=O)OC)cc1F	1119319771	KXQJMIPYLHZIFJ-UHFFFAOYSA-N	313.285	1.276	50	20	DDGD	
Cc1c(NNC(=O)NCCc2ccn(C)n2)cccc1[N+](=O)[O-]	761020778	WEMPNDPSQYRUAS-UHFFFAOYSA-N	318.337	1.506	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@]2(C)CCCOC2)cn1	874954509	VVLKMVIUORMTJM-AWEZNQCLSA-N	324.406	1.225	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNc2cccc(S(C)(=O)=O)c2)o1	772532390	PHSBXAWIXCUUKE-UHFFFAOYSA-N	322.342	1.643	50	20	DDGD	
CC(C)(C)n1nccc1NC(=O)NNC(=O)C1CCOCC1	879279182	UFVVKPJALAFYDG-UHFFFAOYSA-N	309.370	1.217	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CC[C@H]2CCCO2)c1	874950563	SOKFHHHFSSBSGB-CQSZACIVSA-N	317.414	1.945	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccccc2F)cnn1C(C)C	770571635	GQSNATWOFRVIFV-UHFFFAOYSA-N	304.325	1.986	50	20	DDGD	
C#CC[C@H](NCC(=O)NNC(=O)C(C)(C)C)c1ccccc1	775403339	GGAULCOMHMCLME-AWEZNQCLSA-N	301.390	1.534	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC[C@@H]1C1OCCO1	888439443	OSMXVKBPBBVEKO-VSKPTYQZSA-N	314.341	1.663	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCCN1CCOC[C@@H]1C	771314622	AYMSABFGVMWIFG-LBPRGKRZSA-N	310.373	1.481	50	20	DDGD	
COc1cc(C(=O)NNc2ccnc(Br)c2)on1	771548892	BTRYLXCNCFCCCH-UHFFFAOYSA-N	313.111	1.598	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)C1CCOCC1)c1ccccc1	883076108	ULXKEHUGGLXWEK-ZDUSSCGKSA-N	319.405	1.937	50	20	DDGD	
CC(C)[C@H](F)C(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1	784399237	KDEGMHTXBKCPQR-VIFPVBQESA-N	324.360	1.724	50	20	DDGD	
COC(=O)C1(N(C2CC2)S(=O)(=O)CCCCCl)CCC1	882267546	HCLDVYORAPWGGO-UHFFFAOYSA-N	323.842	1.895	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnc([C@@H](C)OCC)s1	780709691	SZVGVNKVQUYLQN-MRVPVSSYSA-N	300.384	1.547	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc2c(c1)nc(O)n2CC	887151736	IXKQUARRQSSANX-UHFFFAOYSA-N	314.345	1.326	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@H]2CCCOC2)c1	788255845	ZIFMUSZRFOGUPN-NSHDSACASA-N	306.366	1.650	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)n1cc(-c2cc(F)ccc2F)nn1	881293132	KSKLBYSPMHVECE-QMMMGPOBSA-N	323.303	1.342	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(OC)cc1OC(F)F	789750216	YTEJFBWJMGRAGY-UHFFFAOYSA-N	317.292	1.651	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2nccnc2Cl)ccn1	787886007	KHGQWTAFRNBRSC-UHFFFAOYSA-N	307.697	1.069	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1ccc(OC2COC2)cc1	782091950	AAJDVYFAPDBJGR-UHFFFAOYSA-N	319.361	1.807	50	20	DDGD	
CO[C@@H]1CCCN(CC(=O)NNC(=O)c2cccs2)CC1	783018795	QXTBVSVIVCMCSX-LLVKDONJSA-N	311.407	1.010	50	20	DDGD	
CC(=O)N(C)c1ccc(OS(=O)(=O)CBr)cc1	782454885	UNVBTLGWLJPZMX-UHFFFAOYSA-N	322.180	1.730	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2nc(C)c(C)s2)n1	789727516	USRDNJGUFVQOMI-UHFFFAOYSA-N	321.362	1.245	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)C(C)C)c(-c2ccccc2)n1	895510144	JZYPDYHGPNPEMH-UHFFFAOYSA-N	300.362	1.987	50	20	DDGD	
CCc1cc(CNC(=O)NNc2cccc(C(=O)OC)c2)on1	780836148	PQLHBPFPTALBFF-UHFFFAOYSA-N	318.333	1.850	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2CCOC3(CCC3)C2)n1	890334571	DVQDHFMGUTTZKV-GFCCVEGCSA-N	303.362	1.500	50	20	DDGD	
Cc1cc(C)n([C@@H](C)CC(=O)NNC(=S)NC(C)(C)C)n1	899991808	AHFZBTFKHIUVAJ-NSHDSACASA-N	311.455	1.745	50	20	DDGD	
Cc1oc(C#N)cc1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	797884912	BCODRNCMKABEOG-SNVBAGLBSA-N	321.333	1.199	50	20	DDGD	
O=C(NN=C1CC(=O)N2CCCC[C@H]12)c1ccc(Cl)nc1	799477596	WMICWVXJYJIEOK-LLVKDONJSA-N	306.753	1.606	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)COc1cccc(C=O)c1	899995117	ICWZCIINPCGNCX-UHFFFAOYSA-N	309.391	1.172	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=S)Nc1ccsc1	790317218	FNCUPCAQHMFZHI-QMMMGPOBSA-N	303.409	1.117	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1ccc(F)c(C#N)c1	792380487	WDPNFRUCRKQJGO-UHFFFAOYSA-N	313.292	1.483	50	20	DDGD	
Cc1cc(F)c2c(c1)C(=NNC(=O)c1cccc(C)n1)C(=O)N2	794571860	LWWLBRVHDMHXHI-UHFFFAOYSA-N	312.304	1.924	50	20	DDGD	
Cc1ccccc1-n1nccc1C=NNC(=O)N1CCOCC1	794498455	APDHQMYIACDZFZ-UHFFFAOYSA-N	313.361	1.556	50	20	DDGD	
COCCNC(=O)c1ccc(Cl)c(NC(=O)CCl)c1	1319682385	QGTALMHARGRIOU-UHFFFAOYSA-N	305.161	1.894	50	20	DDGD	
O=C(CCO)NN=C1C(=O)N(Cc2ccccc2)c2ccccc21	1318925016	WAYACOKMDWAEHD-UHFFFAOYSA-N	323.352	1.436	50	20	DDGD	
CCCN1CCCC[C@@H]1C(=O)NNc1nncc(N)c1Cl	1319406132	OWDSPWDDSOCVOK-SNVBAGLBSA-N	312.805	1.420	50	20	DDGD	
O=C(NN=Cc1nc(-c2ccccc2)c[nH]1)C(=O)N1CCCC1	1318359701	PSRYFPSHIPKAKT-UHFFFAOYSA-N	311.345	1.149	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)c1cncn1-c1ccccc1	1317707763	YSHDFRDFGYZBOY-UHFFFAOYSA-N	322.372	1.987	50	20	DDGD	
CC(=O)Nc1ccccc1CC(=O)NNC(=S)NC(C)C	1320800371	NBXDLEOOXCNRMX-UHFFFAOYSA-N	308.407	1.091	50	20	DDGD	
CC(C)CN(CC(=O)NNc1ccncn1)C(=O)OC(C)(C)C	1325249262	NYFLCMFJOSEZPH-UHFFFAOYSA-N	323.397	1.813	50	20	DDGD	
O=C(CCl)N1CCN(C(=O)CCCc2ccccc2)CC1	1323269837	PIHYKAWTZXZQAR-UHFFFAOYSA-N	308.809	1.919	50	20	DDGD	
CC1CC(CNC(=O)C(=O)NC[C@@]2(C)C[C@H]2Br)C1	1328966006	BMKINBXQRNTVEE-HUQCHGAVSA-N	317.227	1.438	50	20	DDGD	
CCON(CC)C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1331097370	JUXVQSNNVILIDV-GZMMTYOYSA-N	307.188	1.076	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNC(=O)c1ccccc1Cl	1251649343	KLYWTLQDLQMCSQ-ZDUSSCGKSA-N	309.797	1.975	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)C2CCOCC2)[C@H](n2cncn2)C1	1331994659	PEMCHSZXAHLKOF-SMDDNHRTSA-N	305.382	1.538	50	20	DDGD	
Cc1cccnc1NNC(=O)NCc1cc(N(C)C)ccn1	1341435939	ZPXKTUUBQMMWGQ-UHFFFAOYSA-N	300.366	1.677	50	20	DDGD	
O=C(/C=C\c1nccs1)NNc1nc(-c2cccnc2)no1	1346265336	RWWLXFJUSRAYAZ-ARJAWSKDSA-N	314.330	1.745	50	20	DDGD	
Cn1ccc(NNC(=O)C2(C)CN(C(=O)OC(C)(C)C)C2)n1	1261383481	NAMIRAWBRJUXKG-UHFFFAOYSA-N	309.370	1.120	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCSC[C@H]1CO	1262617483	SOVLBLLUDAADQD-BDAKNGLRSA-N	310.257	1.732	50	20	DDGD	
C[C@@]1(COC(=O)c2ccc(C(N)=O)o2)C[C@@H]1Br	1263536577	ATTBWPBJNPJAKS-KWQFWETISA-N	302.124	1.709	50	20	DDGD	
Cc1cc(C=NNC(=O)c2ccc(Cl)nc2)[nH]c1C(=O)O	1607634150	ZPICKIHRRYRAIF-UHFFFAOYSA-N	306.709	1.834	50	20	DDGD	
O=C(O)[C@@H](CNS(=O)(=O)CCCCl)C1CCCCC1	1601653804	SGLQJVNGLWNOPM-NSHDSACASA-N	311.831	1.816	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCc1noc(CCCC(=O)O)n1	1608169536	GCSDZBJZZYVGTC-UXBLZVDNSA-N	305.290	1.380	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)c(F)c1)c1csc(CO)n1	1608481076	HYEWJJNHJXPSSM-UHFFFAOYSA-N	311.294	1.230	50	20	DDGD	
O=C(CN1CCCCCC1=O)NNc1ccc(F)c(C(=O)O)c1	1601312956	MENBKIHNKJWJEP-UHFFFAOYSA-N	323.324	1.370	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1ccc(N2CCCCC2)cc1	1602072131	RHNNCWARQSTMLX-UHFFFAOYSA-N	304.350	1.395	50	20	DDGD	
O=C(O)[C@@H](F)CNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	1608801170	JTHNGKVSRCHZRS-CIOUSYIGSA-N	308.147	1.479	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)C(F)(F)C1(O)CCC1	1602230509	JXOJMXKXKVUVIM-UHFFFAOYSA-N	318.251	1.517	50	20	DDGD	
CCc1cc(CC(=O)NNc2ccc(C)c(C(=O)O)c2)n(C)n1	1605798694	RVKRELOTQXTFEM-UHFFFAOYSA-N	316.361	1.675	50	20	DDGD	
Cn1cccc1C(=O)NCCNC(=O)C1CCC(Cl)CC1	1548622211	JMOYQCGHQSDRBL-UHFFFAOYSA-N	311.813	1.669	50	20	DDGD	
CC(C)[C@H](C(=O)O)C(=O)NNc1nc(O)c2ccccc2n1	1588807933	FKYPNYPJDREPFM-JTQLQIEISA-N	304.306	1.135	50	20	DDGD	
COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)C(C)(F)F)C1	1842844391	MAEXXSHRQHTPIE-SECBINFHSA-N	324.755	1.099	50	20	DDGD	
O=C(c1ccon1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843363303	WJOSVJPIOFCWRH-SECBINFHSA-N	301.705	1.026	50	20	DDGD	
CC1(C)CO[C@H](CCC(=O)NNc2ncccc2C(=O)O)C1	1589231688	CORITPXINHGOOJ-SNVBAGLBSA-N	307.350	1.818	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C1(C(=O)O)CC=CC1)c1ccccc1	1589430607	PTTNUOPGSABNCR-ZDUSSCGKSA-N	316.357	1.749	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCc1ccccc1CC(=O)O	1590233257	QYABRFLLNFXNAM-UHFFFAOYSA-N	323.349	1.553	50	20	DDGD	
CN1CCCC[C@@H](CNC(=O)NNc2cccc(C(=O)O)c2)C1	1598598134	LIWXSVYEJLWZSW-LBPRGKRZSA-N	320.393	1.743	50	20	DDGD	
C[C@]1(C(=O)NC[C@H](C(=O)O)[C@@H]2CCOC2)C[C@H]1Br	1593749119	IKFCDUPMIWXAHV-SREGZZRCSA-N	320.183	1.013	50	20	DDGD	
O=C(O)C1(C(=O)NNc2ncc(Cl)cn2)CCSCC1	1594868090	YGFMLGBPXVIDIA-UHFFFAOYSA-N	316.770	1.171	50	20	DDGD	
CN(NC(=O)C1(c2cc(F)cc(-c3nn[nH]n3)c2)CC1)C1CC1	1591154223	IJXYXSFATHXLMV-UHFFFAOYSA-N	316.340	1.163	50	20	DDGD	
CC1(C)OCC[C@H]1NC(=O)NNc1ccc(CC(=O)O)cc1	1593980815	GGDZTPRFUFLROV-GFCCVEGCSA-N	307.350	1.507	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2ccc(F)cc2O)cc1	1776101143	SNBJOMXTMFAWNK-UHFFFAOYSA-N	302.261	1.993	50	20	DDGD	
CC(Cn1cncn1)=NNC(=O)Nc1ccc(C(=O)O)cc1	1776046004	WSVVBPHMRZOAHE-UHFFFAOYSA-N	302.294	1.174	50	20	DDGD	
CC(C)(C)OC(=O)NN=Cc1ccn([C@H]2C[C@H](C(=O)O)C2)n1	1776015256	UDXJVLSFXNPEMW-HOMQSWHASA-N	308.338	1.777	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnco1)[C@H](F)Cl	1793801065	SPQVYTXTQUGLGL-DKIAZLNASA-N	315.732	1.461	50	20	DDGD	
CSc1ccccc1C(=O)NNC(=O)Cn1nc(C)cc1C	12665768	HMCSYFYRXCKMDW-UHFFFAOYSA-N	318.402	1.683	50	20	DDGD	
Cc1cc(=O)n(C)cc1NC(=O)NNc1cnc2ccccc2n1	161805051	ZOLFWVGEJMIOEG-UHFFFAOYSA-N	324.344	1.786	50	20	DDGD	
N#CCCn1ccc(NC(=O)NNc2cnc3ccccc3n2)n1	160580499	LRJXLPKQPLATNK-UHFFFAOYSA-N	322.332	1.889	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CS[C@@H]1CCO[C@@H]1C	163669762	CPJKZAWHGFSFIS-TZMCWYRMSA-N	322.430	1.596	50	20	DDGD	
Cc1cc(C)c(NNC(=O)N[C@H](C)[C@@H]2CN(C)CCO2)c(C)c1	152383979	GCSPJBKICCFQFH-CABCVRRESA-N	320.437	1.957	50	20	DDGD	
O=C(NNc1ccccc1F)[C@H]1CC(=O)N(CC(F)(F)F)C1	153329019	URPLATZIGXMTAL-QMMMGPOBSA-N	319.258	1.680	50	20	DDGD	
CC(=O)N[C@@H](C)C(=O)NNc1ccc(F)cc1Br	153740657	FEQDHKJKKJKIAP-LURJTMIESA-N	318.146	1.556	50	20	DDGD	
CCCN(CCC)C(=O)CCC(=O)NNc1ccc(OC)cn1	159605651	IITBTLUFJFRHKB-UHFFFAOYSA-N	322.409	1.962	50	20	DDGD	
CC(C)(C)CC[C@H](NS(=O)(=O)CBr)C(=O)O	309712273	XMUDRNRGTQJUQQ-ZETCQYMHSA-N	316.217	1.538	50	20	DDGD	
O=C(OCc1ccccc1)N1CC(NS(=O)(=O)CCl)C1	841565698	JYKQNOSJFUMPTL-UHFFFAOYSA-N	318.782	1.123	50	20	DDGD	
CN(CCCNC(=O)NNc1ncccn1)c1ccccc1F	57246802	WUBIPBZLQREQMG-UHFFFAOYSA-N	318.356	1.768	50	20	DDGD	
CCc1ccsc1C(=O)NNC(=O)Cn1nc(C)cc1C	53000874	KDHCCPLOIDTTAQ-UHFFFAOYSA-N	306.391	1.585	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNc1ccccc1[N+](=O)[O-]	55527414	SBGIYUWZEGGPJF-UHFFFAOYSA-N	322.365	1.980	50	20	DDGD	
CO[C@@H](C)C(=O)NNC(=O)c1sc(-c2ccccc2)nc1C	55403676	QRYQASNHDYJBNU-JTQLQIEISA-N	319.386	1.914	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)CC(C)(C)C)cc1F	171265794	PSVWMHCXTRAQIP-UHFFFAOYSA-N	318.370	1.580	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)NCc1cccnc1	104776421	FUVCMIMDJLAZGE-UHFFFAOYSA-N	323.356	1.567	50	20	DDGD	
O=C(CCn1cccn1)NNC(=O)c1cccc(OC(F)F)c1	103111709	UZOASZAPMSNXRL-UHFFFAOYSA-N	324.287	1.336	50	20	DDGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](OCCO)C1	177181354	MPXQBEDZYSBKJN-PLWLOYALSA-N	317.345	1.933	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2cccnc2)c1[N+](=O)[O-]	103425363	QKDHQCABKBOTPZ-UHFFFAOYSA-N	314.301	1.302	50	20	DDGD	
COC(C)(C)C[C@H](C)NC(=O)NNC(=O)Cc1cccnc1	176392419	HYOJORLULOWMPE-NSHDSACASA-N	308.382	1.158	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1ccc[nH]1)c1nc(C)cs1	105307400	IEWBRZVPWNEESW-VIFPVBQESA-N	307.379	1.875	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccccc1OCCOC	64882571	NYRGHABQWBXTCN-UHFFFAOYSA-N	309.366	1.456	50	20	DDGD	
Cc1cccc2c1N(C(=O)C(=O)NNc1cccc(C#N)c1)CC2	119524834	QSPINYWLEVIRTF-UHFFFAOYSA-N	320.352	1.899	50	20	DDGD	
CC(C)[C@@H](CC1CCCCC1)C(=O)NNC(=O)C(=O)NC1CC1	115320934	PZWGROQBCIVGQX-CQSZACIVSA-N	323.437	1.655	50	20	DDGD	
CC(C)(C)C(=O)NCCC(=O)NNc1cccc([N+](=O)[O-])c1	178851041	OHIWBWUPEUVIMA-UHFFFAOYSA-N	308.338	1.590	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H]1C[C@H](N)C12CCC2	1355686632	POQJFTULFPPSAI-RYUDHWBXSA-N	310.829	1.738	50	20	DDGD	
O=C(COCC1CC1)NNC(=O)c1cc(-c2ccccc2)n[nH]1	60606218	FEDGAMMLZOQGDT-UHFFFAOYSA-N	314.345	1.264	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)c1ccc([N+](=O)[O-])o1	68053927	MLDFNUBFQXRSOW-UHFFFAOYSA-N	317.301	1.972	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2)on1)c1cc[nH]c(=O)c1	119102567	UKPFZNUFQRIULH-UHFFFAOYSA-N	324.296	1.105	50	20	DDGD	
N#Cc1csc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1	176808604	IJVBSEVJUULVOG-UHFFFAOYSA-N	316.298	1.603	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCc1ccsc1	67458289	ISAZYZGFYJEAKL-UHFFFAOYSA-N	305.359	1.901	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc2c(c1)OCCCO2	68455918	OGRRDNGQBSADSS-UHFFFAOYSA-N	305.334	1.202	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2nccn2C(F)F)o1	176480257	YFEFPTPOJRYFDD-UHFFFAOYSA-N	313.264	1.324	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccc(O)c(Cl)c2)n(C)n1	172194336	MQMLJEZIWVFEKL-UHFFFAOYSA-N	323.740	1.554	50	20	DDGD	
C[C@H]1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)C[C@@H]1C	122747489	HNUFOHFIKOZFST-RYUDHWBXSA-N	307.369	1.565	50	20	DDGD	
COC(=O)c1ccc(CCC(=O)NNc2ncc(F)cn2)cc1	123015897	AJLPTENVVODULA-UHFFFAOYSA-N	318.308	1.478	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)Cc1ccc(F)cc1	78400076	WYDNOMSFQHDZSF-UHFFFAOYSA-N	301.321	1.628	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)NCc2cccnc2)c1	181614593	MXZHMHVUGLBBPZ-UHFFFAOYSA-N	320.374	1.311	50	20	DDGD	
O=C(NNC(=O)[C@@H]1Cc2cc(F)ccc2O1)c1ccccc1	126841748	XWIMNIAGXSVSHU-AWEZNQCLSA-N	300.289	1.590	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)NC2CCCC2)nc2ccccc21	30998979	CCXHWORVDMTWOQ-UHFFFAOYSA-N	315.377	1.389	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccccc1Oc1ccccc1	75653092	WLSSCDQLRWNXOV-UHFFFAOYSA-N	313.357	1.802	50	20	DDGD	
CC1(C(=O)NNc2nccc(N3CCOCC3)n2)CCCCC1	121688689	YYYXIXUBMNQVSP-UHFFFAOYSA-N	319.409	1.727	50	20	DDGD	
COc1cc(C(=O)NNC(=O)Cc2cccnc2)ccc1Cl	129753037	QSFBBCDIEMNVQZ-UHFFFAOYSA-N	319.748	1.747	50	20	DDGD	
CN(CCCNC(=O)NNc1ncccn1)C1CCCCC1	127233508	LXPXTXTUSNDREK-UHFFFAOYSA-N	306.414	1.757	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2csnc2C)cc1	181055061	RHEAVORCXABAIK-UHFFFAOYSA-N	305.359	1.600	50	20	DDGD	
CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NNc1ccccn1	181184027	VXRLJZDBXORBGK-HNNXBMFYSA-N	310.357	1.498	50	20	DDGD	
CCNC(=O)CCCC(=O)NNc1ccc2ccccc2n1	181157395	DMCJZUBQVHPFGQ-UHFFFAOYSA-N	300.362	1.984	50	20	DDGD	
C#CCOc1ccccc1NC(=O)NNC(=O)Cc1ccncc1	188044056	DBUNOUSFIRJOME-UHFFFAOYSA-N	324.340	1.489	50	20	DDGD	
COc1ccc2c(c1)OC[C@H](C(=O)NNc1cccnn1)C2	77030693	NAMRVRPDJMZIAJ-LLVKDONJSA-N	300.318	1.180	50	20	DDGD	
CCOCCC(=O)NNC(=O)c1ccc(Br)s1	76839966	BSJXLJNWSGQBEF-UHFFFAOYSA-N	321.196	1.698	50	20	DDGD	
C[C@@H](NCC(=O)NNC(=O)c1ccccc1)c1cccc(O)c1	181545457	LXLJEMLHWCTCIA-GFCCVEGCSA-N	313.357	1.504	50	20	DDGD	
COc1ccccc1CCNC(=O)NNC(=O)OC(C)(C)C	43294156	KULGTEJZNRNTHF-UHFFFAOYSA-N	309.366	1.977	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cn1ccc2cc(OC)ccc21	46572652	RQTAJWCEIKEGLA-UHFFFAOYSA-N	318.402	1.331	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccc([N+](=O)[O-])s1	191907156	PBNJHSXBNOGDFH-UHFFFAOYSA-N	304.291	1.456	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C\c1cc(C(=O)OC)c(C)o1	192546416	OZMRRZQKIMROKD-BVBCSLMJSA-N	306.318	1.433	50	20	DDGD	
O=C(NNC(=O)C(F)(F)c1ccc(F)cc1)c1cccnc1	149721893	YDJGMYOLHGNHFW-UHFFFAOYSA-N	309.247	1.774	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cc(Cl)ccn2)cc1	98077829	UUTHJDTYBMWTME-UHFFFAOYSA-N	319.748	1.883	50	20	DDGD	
O=C(C[C@@H]1CSCCN1)NNc1nc(-c2ccccc2)no1	238060067	UHNCBDMTONRQGP-LLVKDONJSA-N	319.390	1.275	50	20	DDGD	
CCCNC(=O)/C(C#N)=C\c1csc(N(CC)C(C)=O)n1	255267607	NXAQZOOQBXMMRY-XFFZJAGNSA-N	306.391	1.949	50	20	DDGD	
CC1CCN(c2ccc(C(=O)NNC(=O)NC3CC3)cn2)CC1	263834068	ANAHAAGCDUCHAK-UHFFFAOYSA-N	317.393	1.424	50	20	DDGD	
C[C@@H](CN1CCOCC1)NC(=O)NNc1ccc(Cl)nc1	266692912	URSKOZLHOJZCMX-JTQLQIEISA-N	313.789	1.082	50	20	DDGD	
COc1cccc(NNC(=O)C2=NN(CC(C)C)C(=O)CC2)n1	364155787	AJRZJPKJDOLYKK-UHFFFAOYSA-N	319.365	1.168	50	20	DDGD	
Cn1cc2c(n1)CCC[C@@H]2C(=O)NNc1nc2ccccn2n1	366849074	ZCFAEPZEFOGCPN-JTQLQIEISA-N	311.349	1.026	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)n1	272710691	DTPRNXLTTWYXAB-UHFFFAOYSA-N	322.365	1.066	50	20	DDGD	
CCOc1cc(NC(=O)NNC(=O)c2cnn(C)c2)ccc1C	273362668	DHMYJROHMNKESX-UHFFFAOYSA-N	317.349	1.594	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)n1	272522507	KBLWTFUJPAOBTF-CMPLNLGQSA-N	305.382	1.199	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC=C(C#N)CC1	272839525	RCFSDNRQMPLAIR-UHFFFAOYSA-N	307.331	1.748	50	20	DDGD	
COC(=O)[C@]12CCC[C@H]1CN(C(=O)NCCSSC)C2	375110154	GGPGQJYJEZBHEO-GWCFXTLKSA-N	318.464	1.982	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccn(CC(F)(F)F)n1	273488692	WDVIGRVWRQNVAI-UHFFFAOYSA-N	305.260	1.398	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1O[C@H](C)C[C@@H]1C	282792798	WQFXYFZPYIVFMD-MIJXAVMKSA-N	324.352	1.554	50	20	DDGD	
CO[C@@H]1CCN(C(=O)NNC(=O)c2ccccc2C)[C@H](C)C1	282224117	FDKIGMNBWRKDIG-CHWSQXEVSA-N	305.378	1.849	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	282700598	XSDSWIVBDBALGZ-SBMIAAHKSA-N	307.306	1.169	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCCN(CCC)CCC	281078456	FSISVFBFBAUESD-UHFFFAOYSA-N	300.472	1.570	50	20	DDGD	
CC[C@H](C)CCC(=O)NNc1nccc(N2CCOCC2)n1	288596283	ZJFMUYLMLOZRBY-LBPRGKRZSA-N	307.398	1.583	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1C	293917458	MVYOYAIGNJVQHK-CPCISQLKSA-N	307.350	1.163	50	20	DDGD	
CCN(C)C(=O)c1cccc(NC(=O)NNC(=O)CC(C)C)c1	806773372	NERSWHAKUVXELA-UHFFFAOYSA-N	320.393	1.977	50	20	DDGD	
N#Cc1cc(Br)ccc1C(=O)NNC(=O)C1CC1	294291809	HZCJIVRZYMFYEX-UHFFFAOYSA-N	308.135	1.492	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cccc(OC[C@@H]2CCCO2)c1	299373517	LJOHFTUERNZAAJ-ZDUSSCGKSA-N	307.350	1.160	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)c3ccnn3C)cc2C1	299365939	RRTWJUYNMAFSJN-SECBINFHSA-N	318.402	1.681	50	20	DDGD	
COc1cnc(NC(=O)NNC(=O)c2ccc(C)cc2O)s1	806514660	FNODPTCMOFIVPO-UHFFFAOYSA-N	322.346	1.632	50	20	DDGD	
CN1C(=O)CCc2cc(C(=O)NNC(=O)CC3CC3)ccc21	294347359	ZYVSOFRYHCZGSB-UHFFFAOYSA-N	301.346	1.157	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cccc(N2CCOC2=O)c1	294030453	CZVUPYMKHGIVHX-UHFFFAOYSA-N	303.318	1.204	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(CSc2nccn2C)o1	299395651	UCMWNPAZILDGPL-UHFFFAOYSA-N	323.378	1.221	50	20	DDGD	
CNC(=O)CCNS(=O)(=O)c1ccc(CCCCl)cc1	299683377	UAQWEVFNSYYENW-UHFFFAOYSA-N	318.826	1.272	50	20	DDGD	
CC(=NNC(=O)c1cc(Br)c[nH]1)c1cn(C)c(C)n1	800809124	CFEGTGHBJUEGRD-UHFFFAOYSA-N	324.182	1.973	50	20	DDGD	
Cc1nn(C)c2nc(C3CC3)cc(C(=O)NNc3nnc[nH]3)c12	294041559	WJDZEWNFEFVMAR-UHFFFAOYSA-N	312.337	1.029	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@H](C)c1ccsc1	802382608	CIMWGCDMBQENJP-NXEZZACHSA-N	315.395	1.191	50	20	DDGD	
O=C(NNC(=O)c1ccn(CC(F)F)n1)Nc1ccccc1	801992649	WWQWRHGHQWAKOY-UHFFFAOYSA-N	309.276	1.615	50	20	DDGD	
CCOc1cc(NC(=O)NNC(=O)[C@@H]2CCCO2)ccc1C	293069434	ZMRPMRBZVROBNF-LBPRGKRZSA-N	307.350	1.725	50	20	DDGD	
CCn1ncnc1COC(=O)/C(C#N)=C/c1cccc(OC)c1	801212511	QCVKFYLXWXNRAN-NTUHNPAUSA-N	312.329	1.957	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCCCCC#N)cc1OC	805157711	ODNXWDAQPXCAQX-UHFFFAOYSA-N	319.361	1.939	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	291383464	ZPESVCLUGAPMJW-CQSZACIVSA-N	324.406	1.320	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CSC(C)C)cc1	801105673	JPOGLXCWVWNXHT-UHFFFAOYSA-N	309.391	1.223	50	20	DDGD	
CC(C)(COCc1ccccc1)C(=O)NNC(=O)NCC1CC1	800458427	MSCMVHZGMLQSJP-UHFFFAOYSA-N	319.405	1.970	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Nc2cccnc2)cc1OC	804027190	ACPXKKBNBNLHQT-UHFFFAOYSA-N	316.317	1.565	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1n[nH]c2c1CCCC2	804958825	OJVIGVULPISQBM-UHFFFAOYSA-N	324.348	1.021	50	20	DDGD	
C[C@@H](NCC(=O)NNC(=O)c1ccc(F)cc1)c1ccsc1	801570979	SSVBDTGLKHWCKE-SNVBAGLBSA-N	321.377	1.999	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)[C@@H]1CCCCS1(=O)=O	293691173	MIUPUEREZZEGDR-QMMMGPOBSA-N	303.771	1.145	50	20	DDGD	
CC(=O)N1C[C@H]2[C@@H](NC(=O)NNc3ccccn3)CCC[C@H]2C1	808359484	YWCJAAOTQXHDQQ-MJBXVCDLSA-N	317.393	1.355	50	20	DDGD	
CCc1oc(C=NNC(=O)Cc2cccnc2)cc1C(=O)OC	800812666	KFOTWSFWUZPVQE-UHFFFAOYSA-N	315.329	1.716	50	20	DDGD	
CCCC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1ccccn1	814763043	RFNYZSKCWCVWKY-AWEZNQCLSA-N	318.421	1.670	50	20	DDGD	
Cn1c(NNC(=O)[C@@H]2CCc3c[nH]nc3C2)nc2ccccc21	816577670	VRSPPHMSLTYKTO-SNVBAGLBSA-N	310.361	1.545	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1csc(-c2ccccn2)n1	814954774	NLGKYQFZLHFPHG-UHFFFAOYSA-N	312.358	1.621	50	20	DDGD	
Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NNc1ncncc1F	817079897	OHURUYKYWFHXDL-UHFFFAOYSA-N	310.220	1.002	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=C1CCN(C(N)=O)CC1	812392263	JPGRIHCUHFBGQQ-UHFFFAOYSA-N	318.377	1.275	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CCCc2ccccc2)n1	810337687	UIMZGDLJPUUMKZ-UHFFFAOYSA-N	308.341	1.737	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NOCCOC(C)C	812949895	ONACFEDEYTWTPA-UHFFFAOYSA-N	310.354	1.687	50	20	DDGD	
COc1cc(C=NNC(=O)Cc2cc[nH]n2)ccc1OC(C)C	814956780	DPCQZIVLDYEYBH-UHFFFAOYSA-N	316.361	1.898	50	20	DDGD	
CO[C@@](C)(C=NNC(=O)c1ccc2c(c1)OCCO2)C1CC1	814789005	SRFOEBYGKOEFMJ-INIZCTEOSA-N	304.346	1.989	50	20	DDGD	
CCOC1CC(=NNC(=O)[C@H](C)CN2C[C@H](C)O[C@H](C)C2)C1	814766664	OJXVOLYFZAOGEX-DPORPMIOSA-N	311.426	1.403	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)c2ccccc2C)cc1O	816829398	OHSVUHUYWVFMHP-UHFFFAOYSA-N	312.325	1.978	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1nc2ccccc2n1C	816579221	JFRNBWXWXKQUQC-NSHDSACASA-N	306.366	1.458	50	20	DDGD	
CCC[C@@H]1C[C@H]1C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1	812451827	MMLAWEMIJPIRNG-XJFOESAGSA-N	311.426	1.069	50	20	DDGD	
C=CCC(F)(F)C(=O)NNc1nc2ccccc2c(=O)n1C	815603884	XDXQGQSRVCJXTO-UHFFFAOYSA-N	308.288	1.588	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=Cc2cnn(C)c2Cl)c1	814733095	LLZGRHPBIZTJMN-UHFFFAOYSA-N	305.769	1.903	50	20	DDGD	
Cn1ccc(C(=O)NNC(=O)Cc2cccc3ccccc23)n1	727300908	QSMIHJNMBJGWBP-UHFFFAOYSA-N	308.341	1.577	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)C[C@@H]1CC[C@H]2C[C@H]12	826590522	QHHYJDRUXBEUCB-OBJOEFQTSA-N	312.373	1.460	50	20	DDGD	
COc1ccnc(NNC(=O)c2cccc(N3CCCC3)c2)n1	821481163	KTIVFVDRTATJED-UHFFFAOYSA-N	313.361	1.842	50	20	DDGD	
COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC=C(C#N)CC1	495621143	ILMSXYSEQZYMFA-LBPRGKRZSA-N	309.366	1.208	50	20	DDGD	
CCN1CCCC[C@H]1CNC(=O)/C(C#N)=C\c1cnn(C)c1	490976997	SCKMEHZRNDFJCR-OWTLUSIOSA-N	301.394	1.318	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H](c1ccccc1)C1CC1	825574447	SPGGIJGJRCTDJJ-NILFDRSVSA-N	317.389	1.893	50	20	DDGD	
CCOc1c(Cl)cc(C=NNC(=O)CN(C)C)cc1OC	727649570	MQKMVATZWGRFIG-UHFFFAOYSA-N	313.785	1.759	50	20	DDGD	
CN1CC[C@H](C(=O)NNC(=O)c2cccc(OC(F)F)c2)C1	729533477	LLLYUKIYGOUORR-JTQLQIEISA-N	313.304	1.001	50	20	DDGD	
Cc1ccc(CN(C)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1C	827258725	DGRDRAZPEBKJQG-HIFRSBDPSA-N	319.405	1.901	50	20	DDGD	
CCN(CCO)NC(=O)c1cnn(-c2ccccc2F)c1C	823841772	KEXDLVBUPCBTQX-UHFFFAOYSA-N	306.341	1.279	50	20	DDGD	
COc1ccc(CC(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1	826190749	MGWZIBSEGZBDCB-UHFFFAOYSA-N	324.344	1.561	50	20	DDGD	
CC[C@H](O)[C@H](C)C(=O)NNC(=O)c1cccc2cccnc12	900441699	NAIVLDMRKRWICL-GWCFXTLKSA-N	301.346	1.403	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2CCO[C@H](c3ccccc3)C2)c1	585036924	SRZCUCQIGKYJFZ-MSOLQXFVSA-N	311.190	1.376	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCOC3(CCCC3)C2)c(F)c1	585031066	PRYZMODXNYVZQS-CQSZACIVSA-N	307.174	1.087	50	20	DDGD	
CCOc1ccc(C[C@@H](C)CNCc2ccc(B(O)O)o2)cc1	585044685	QDQQNTZDHWEGTQ-CYBMUJFWSA-N	317.194	1.327	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)N[C@@H]1C[C@H]2CC[C@H]1C2	738137133	NHVINGXALXCPNJ-OUJBWJOFSA-N	313.365	1.681	50	20	DDGD	
C[C@@H]1CCc2c(F)cccc2[C@H]1NCc1ccccc1B(O)O	585026911	UAIOZVYEGAIBRY-XIKOKIGWSA-N	313.181	1.919	50	20	DDGD	
O=C(Cc1cccc(C(F)(F)F)c1)N1CC[C@H](B(O)O)C1	585070601	AUVDEHJZGOXZGU-NSHDSACASA-N	301.073	1.323	50	20	DDGD	
COC(=O)N(C)NC(=O)CN(C(=O)OC(C)(C)C)C1CC1	495693536	PJARPMWZXJQOJZ-UHFFFAOYSA-N	301.343	1.115	50	20	DDGD	
CCS(=O)(=O)CCNC(=O)NNc1ccc(C(C)C)cc1	836367916	IOIYDUYXXHLJMH-UHFFFAOYSA-N	313.423	1.871	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCCN(c3ccccc3)C2)cc1	585027865	FECFYDMMVOTNMY-KRWDZBQOSA-N	310.206	1.125	50	20	DDGD	
CCO[C@H]1CCCC(=NNC(=O)C(=O)Nc2ccccn2)C1	905455123	USCWEWFBVQXBBO-LBPRGKRZSA-N	304.350	1.471	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H]2CC[C@H](C(=O)O)C2)cc1	831082874	NEWZHAIBZRAWMQ-CMPLNLGQSA-N	307.350	1.965	50	20	DDGD	
CC(C)(C)C(=O)NCCNC(=O)[C@]1(C)C[C@H]1Br	906483532	BFPYCVYTEPDMJP-PRHODGIISA-N	305.216	1.438	50	20	DDGD	
OB(O)c1cccc(CNC[C@H]2SCCc3ccccc32)c1	585026150	JFWMJLGRJXKUPO-QGZVFWFLSA-N	313.231	1.487	50	20	DDGD	
CCOc1cc(C)ccc1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	831318407	SHRNDIJPGJUSMF-VXGBXAGGSA-N	321.377	1.971	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@H](O)c1ccccc1C(F)(F)F	900427519	MQXGTELVUMALMK-SECBINFHSA-N	305.256	1.041	50	20	DDGD	
O=C(N[C@H](c1cccs1)C1CC1)c1ccc(B(O)O)cc1	584928461	LPQOKSSATOVCIO-AWEZNQCLSA-N	301.176	1.309	50	20	DDGD	
COc1ccc(O)c(C(=O)NNc2ccc(C(=O)O)cn2)c1	833733345	PEGIEGZUHUFDOI-UHFFFAOYSA-N	303.274	1.251	50	20	DDGD	
C[C@H]1[C@@H](C(=O)Nc2cccc(B(O)O)c2)CCN1c1ccccc1	584912114	CHBQIVBQKHOPME-GUYCJALGSA-N	324.189	1.220	50	20	DDGD	
O=C(NC[C@H]1CC1(Cl)Cl)NNC(=O)[C@H]1CCCCO1	836234605	MBSYTRWLQRZCOQ-HTQZYQBOSA-N	310.181	1.080	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCCCCC1)c1ccncn1	834934238	MUTGFUODKJXDLR-CYBMUJFWSA-N	303.410	1.829	50	20	DDGD	
CC[C@@H](C)[C@H](NNC(=O)COc1ccccc1F)C(=O)OC	905747188	KTSPULMXDSUKTF-YGRLFVJLSA-N	312.341	1.413	50	20	DDGD	
COc1cccc([C@@H](OC)C(=O)NNc2cccc(OC)n2)c1	831882315	XZLROLAZLWBCBM-OAHLLOKOSA-N	317.345	1.930	50	20	DDGD	
CO[C@H](c1ccccc1F)[C@H](C)NCc1ccccc1B(O)O	585033050	WBRUPGATVHWDDG-SJCJKPOMSA-N	317.169	1.371	50	20	DDGD	
CO[C@H]1CCC[C@H](Cc2nc(-c3cccc(B(O)O)c3)no2)C1	585051674	CDOIRPZRBHATGW-FZMZJTMJSA-N	316.166	1.164	50	20	DDGD	
C[C@H]1[C@H](C)CCCN1CC(=O)NNC(=O)c1ccc(C#N)cc1	839499418	VIARVGWSMINRLU-OLZOCXBDSA-N	314.389	1.440	50	20	DDGD	
O=C(COc1cccc(C(F)(F)F)c1)N1CC[C@@H](B(O)O)C1	585071131	NBLUJPWMZNUQDG-SNVBAGLBSA-N	317.072	1.160	50	20	DDGD	
CC(C)c1ccccc1NC(=S)NNC(=O)[C@@H]1CCC(=O)N1	732283833	BBFXHENUKNQYHT-LBPRGKRZSA-N	320.418	1.406	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C(F)(F)C(F)F)c1F	837060013	FPTILCQPNQCSCB-UHFFFAOYSA-N	312.194	1.956	50	20	DDGD	
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NN(C)C[C@@H](C)O	910166966	AMEOXCNOWFXACH-DOMZBBRYSA-N	305.378	1.305	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)Cc2ccccc2F)o1	731363601	VJJYIKGKIDHCDF-UHFFFAOYSA-N	319.336	1.843	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1scnc1C(C)C	836743545	SVVOFCKVAADPDF-UHFFFAOYSA-N	308.367	1.765	50	20	DDGD	
COCCOCc1ccc(C=NNC(=O)[C@@H]2CCCCO2)cc1	834986517	PBJHOYHYNLTNTQ-INIZCTEOSA-N	320.389	1.869	50	20	DDGD	
O=C(CN1CCCNC1=O)NNc1ccccc1C(F)(F)F	915258898	WJCLQHPZSGDJEY-UHFFFAOYSA-N	316.283	1.564	50	20	DDGD	
CN(C)Cc1ccc(S(=O)(=O)NCCCSC#N)cc1	916991678	BRGQLDPSOZLNGI-UHFFFAOYSA-N	313.448	1.631	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CCOC[C@@H]1CCCO1	915616561	BJACZNNETSGKQO-ZDUSSCGKSA-N	306.362	1.342	50	20	DDGD	
CC(=O)Nc1ccc(CC(=O)NNC(=O)C2CCCC2)cc1	914843766	YOXCCXJDGGOCJI-UHFFFAOYSA-N	303.362	1.525	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCCC1=NNC(=O)c1cccc(C#N)c1	741463471	CBVHSCZGRDBKHP-AWEZNQCLSA-N	319.386	1.631	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@H]2CCC(=O)C[C@H]2C)cc1	846378224	UVWPYTFGPMEKDR-ABAIWWIYSA-N	318.373	1.851	50	20	DDGD	
O=C(NN=Cc1cn2ccccc2n1)[C@H]1COc2ccccc2O1	918708378	YJNGYGRNCYNCAF-OAHLLOKOSA-N	322.324	1.624	50	20	DDGD	
Cc1ccc([C@@H](C)NC(=O)NNC(=O)C(=O)N2CCCC2)s1	748457701	QQOCQRAHMQTNPV-SNVBAGLBSA-N	324.406	1.070	50	20	DDGD	
C[C@H]1C[C@H](C)N(CC(=O)NNC(=O)c2ccccc2Cl)C1	744404265	LYHWAZQYCGMCCJ-QWRGUYRKSA-N	309.797	1.831	50	20	DDGD	
C=C(C)CONC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	845591605	ZSHBELGCXCASMS-SNVBAGLBSA-N	311.313	1.431	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCn2cc(Cl)cn2)c(O)c1	918702100	ITARPYDLJGMGJF-UHFFFAOYSA-N	322.752	1.402	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@]12CCc1ccccc12)c1ncccn1	841351031	ZNKRXHZYPRYISJ-SUMWQHHRSA-N	308.341	1.142	50	20	DDGD	
O=C(NCCC[C@H]1CCCN1)NNC(=O)c1ccccc1F	842007184	WHMWTSAMGCKZQM-LLVKDONJSA-N	308.357	1.302	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccc(S(C)(=O)=O)cc1	918154331	KGTAGZXQSUNGLD-XFXZXTDPSA-N	309.343	1.187	50	20	DDGD	
CN(C)c1nccc(NNC(=O)COc2cccc(Cl)c2)n1	740104042	BDNWGMKWGAUQCF-UHFFFAOYSA-N	321.768	1.718	50	20	DDGD	
NC[C@H]1CC[C@@H](NC(=O)NNC(=O)c2ccc(Cl)cc2)C1	842010049	IKTGEVXGNDFMBI-JOYOIKCWSA-N	310.785	1.411	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1c[nH]c(C(=O)N2CCCC2)c1	917180629	CSHSYXDNOHLPRG-UHFFFAOYSA-N	306.366	1.058	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1nc2ccccc2nc1C1CC1	910150936	XGEVQYLNBXNVSV-SNVBAGLBSA-N	300.362	1.465	50	20	DDGD	
Cc1cc(C)n(CCC(=O)NNc2cc(Cl)nc(C)n2)n1	748334444	JMHLBVSOBKUKHP-UHFFFAOYSA-N	308.773	1.785	50	20	DDGD	
COC[C@]1(CNC(=O)[C@H](Br)C(C)(C)C)CCCN1	843477430	MMPQCVZZLAHEFB-GXFFZTMASA-N	321.259	1.681	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C[C@@]2(OC)CCOC2)c1	841609414	ATFPSRVUWHFCPY-HNNXBMFYSA-N	308.334	1.225	50	20	DDGD	
CC#CC[C@@H](CO)NC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	844118167	LBKLBXGTFDOOAH-GSHXUFRSSA-N	310.357	1.003	50	20	DDGD	
CSc1ccc(Cl)cc1NC(=O)NNC(=O)CCCN	841084242	YBNRWXBPEKGCCP-UHFFFAOYSA-N	316.814	1.954	50	20	DDGD	
CCn1nncc1C=NNC(=O)[C@@H](C)Oc1ccccc1F	841613428	YHABEFFAZCVJLR-SNVBAGLBSA-N	305.313	1.355	50	20	DDGD	
COC1(CNC(=O)NNc2ccc(Cl)nc2)CCOCC1	747448684	MKNAOABIFSEFQN-UHFFFAOYSA-N	314.773	1.557	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)[C@@H](C)CN2CCCCC2)[C@H]1OC	841613855	CCZYIWAUOPEVCV-NWANDNLSSA-N	311.426	1.404	50	20	DDGD	
O=C(NCCCNc1ccccn1)NNC(=O)C1CCCC1	916576482	BRTBOAOQOHTKSU-UHFFFAOYSA-N	305.382	1.404	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C\c1ccc(C(=O)NC2CC2)cc1	912773649	JPVXYPFIVIRFCE-QPEQYQDCSA-N	303.325	1.746	50	20	DDGD	
CCCNCCNC(=O)NNC(=O)c1cn(C)c2ccccc12	841960527	AVBYMLVBEUXVAH-UHFFFAOYSA-N	317.393	1.122	50	20	DDGD	
C[C@H]1CCC[C@@H]([C@H](C)NC(=O)NNC(=O)c2ncccn2)C1	841587206	MZPWAPUECWMOEX-SDDRHHMPSA-N	305.382	1.635	50	20	DDGD	
C[C@@H](CO)C1CCN(S(=O)(=O)CBr)CC1	845996434	OOZNJHFDZGMMPV-QMMMGPOBSA-N	300.218	1.009	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O	742053148	FDWDDYXBTOCHNS-NSHDSACASA-N	324.768	1.043	50	20	DDGD	
C[C@H]1CC[C@H](C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1	844280260	YMMWKINWMVIDRQ-LALPHHSUSA-N	318.373	1.800	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)C[C@@H](OC)C(F)(F)F	845915217	PFNCUPDYULREFS-SNVBAGLBSA-N	320.267	1.884	50	20	DDGD	
C[C@]1(CNC(=O)c2cc3ncccn3n2)C[C@@H]1Br	857686978	HWWVXCXTGQVBLI-JOYOIKCWSA-N	309.167	1.633	50	20	DDGD	
Cc1noc(C)c1S(=O)(=O)NC[C@@]1(C)C[C@@H]1Br	856756496	PYCOUTARULJZTO-WCBMZHEXSA-N	323.212	1.743	50	20	DDGD	
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NNc1ncncc1F	852604490	FJWZTPGATKDTIY-CMPLNLGQSA-N	317.324	1.807	50	20	DDGD	
CC1=C(C(=O)NNc2ncccc2[N+](=O)[O-])C(=O)OC1(C)C	759297336	KOAIUTXRMNPPPH-UHFFFAOYSA-N	306.278	1.085	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CC12CCC2	759689650	BRIKAEOAEUNAJQ-GHMZBOCLSA-N	306.337	1.931	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](C)Sc2ccccn2)n1	754239654	NNDGYDLATTXFDY-SNVBAGLBSA-N	319.390	1.813	50	20	DDGD	
CN1CC[C@@H](C(=O)OC[C@@H](CBr)C2CC2)CC1=O	859489643	MLAXIAAVNLWIHT-GHMZBOCLSA-N	318.211	1.819	50	20	DDGD	
CCON1CCC(CC(=O)NNc2ccc(C#N)cn2)CC1	924813221	JSCOWTNCSYLUKO-UHFFFAOYSA-N	303.366	1.450	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@H]2C=NNC(=O)[C@H]2CCCOC2)cn1	853358533	DGSFAUWAWAGNNY-KCQAQPDRSA-N	320.393	1.509	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNc1ccnc(Cl)c1	855466186	HMJPSHUVGHTZLT-KWQFWETISA-N	314.773	1.949	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1	755613264	AZRSLBPVLJYJCL-UHFFFAOYSA-N	306.366	1.778	50	20	DDGD	
O=C(NNC(=O)c1cnc2n1CCCCC2)NC1CCCCC1	857706765	PPUCFULUFWJBCO-UHFFFAOYSA-N	319.409	1.886	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)Nc1cccnn1	757660321	COFBXERKUQVEEA-UHFFFAOYSA-N	321.724	1.605	50	20	DDGD	
O=C(C=C1CCCC1)NNC(=O)CNC(=O)c1cccs1	751206711	RLYFUJJZOZDPII-UHFFFAOYSA-N	307.375	1.126	50	20	DDGD	
CCOC1(C)CCN(C(=O)NNC(=O)c2cccc(F)n2)CC1	852711011	YWWJQZSFTQHKJC-UHFFFAOYSA-N	324.356	1.466	50	20	DDGD	
CCOc1cc(C(=O)NC[C@]2(C)C[C@@H]2Br)on1	857386271	SLTJTUHROKQRRO-KWQFWETISA-N	303.156	1.977	50	20	DDGD	
CCS(=O)(=O)CCNC(=O)NNc1cc(F)ccc1C	853653174	ANCMSONCKORKJK-UHFFFAOYSA-N	303.359	1.195	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@]23CCC(=O)N2CCS3)cc1F	856230863	FZWCCFJAILNQDX-AWEZNQCLSA-N	309.366	1.643	50	20	DDGD	
CC(C)CO[C@@H](C)C(=O)NNc1ccc(C(F)(F)F)nn1	755191551	IUDSVVWRNLJDPS-QMMMGPOBSA-N	306.288	2.000	50	20	DDGD	
Cn1nc(C(=O)NNc2nc(C(F)(F)F)cs2)ccc1=O	755858431	SZAAJHPLOVDHCM-UHFFFAOYSA-N	319.268	1.013	50	20	DDGD	
CCC(C#N)(CC)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	858135956	IQLTUXWMRZQNOS-UHFFFAOYSA-N	319.361	1.795	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=S)N[C@@H](C)C2CC2)n(C)n1	855101746	YCACOSDHEPVSHC-VIFPVBQESA-N	309.439	1.451	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NN=Cc3cn(C)nn3)n[nH]2)cc1	755650947	ZHMIQBNVCCKXCL-UHFFFAOYSA-N	309.333	1.278	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NNc2ncccc2F)C1	854417028	YTSIQHLZKQOVBU-MGCOHNPYSA-N	324.356	1.967	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1	853683816	WGMBHHGGNLYCRK-KGLIPLIRSA-N	322.384	1.623	50	20	DDGD	
COC(=O)N1CCC(C(=O)NNc2ccc(Cl)nn2)CC1	857130845	WNEJASDNJXXFSG-UHFFFAOYSA-N	313.745	1.052	50	20	DDGD	
COC(=O)c1csc(NC(=O)NNC(=O)c2ccccn2)c1	757680993	VIIBBNMUAVLNML-UHFFFAOYSA-N	320.330	1.396	50	20	DDGD	
CC(C)C1(C(=O)NNc2ccnc(Br)c2)COC1	935436337	DNAOHWKOHBLWSZ-UHFFFAOYSA-N	314.183	1.960	50	20	DDGD	
C[C@@H](C[C@H]1CCOC1)NC(=O)NNC(=O)Cc1ccccc1F	759767103	LLEXDMAYRDIAKI-NWDGAFQWSA-N	323.368	1.514	50	20	DDGD	
COCC(=NNC(=O)c1cccc(S(C)(=O)=O)c1)C1CC1	754260317	VFZTZCBSTHSZDH-UHFFFAOYSA-N	310.375	1.232	50	20	DDGD	
CCN(CC)CC(=O)NNC(=S)NCCc1cccs1	753077327	JJVAJHCTKXXWET-UHFFFAOYSA-N	314.480	1.128	50	20	DDGD	
C[C@@H]1CC/C(=C/C(=O)NNC(=O)Cc2cn3ccccc3n2)C1	753632643	RWUDXYXFKPMVOI-FNWMBBJUSA-N	312.373	1.771	50	20	DDGD	
CC(=NNC(=O)c1cc(Br)c[nH]1)c1nccn1C	755617294	JNCDIGMZKSMWRB-UHFFFAOYSA-N	310.155	1.665	50	20	DDGD	
C[C@]1(CNC(=O)COC2CCNCC2)C[C@@H]1Br	857007609	QHSDVDKWBSKWLB-CMPLNLGQSA-N	305.216	1.045	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNC(=O)NC1CCCCC1	759356252	IXURSQVPVQWQOW-UHFFFAOYSA-N	305.382	1.624	50	20	DDGD	
O=C1CC[C@@]2(C(=O)NNc3ccnc(Cl)c3)SCCN12	855469435	GAMNQDXZXXFGKZ-LBPRGKRZSA-N	312.782	1.244	50	20	DDGD	
COCC(=O)NNC(=O)Nc1sc(-c2ccccc2)nc1C	758016554	XUVFCZUBWLBUBK-UHFFFAOYSA-N	320.374	1.918	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)C1(O)CCCCC1	754999136	ADLNHUWQNGGTBB-UHFFFAOYSA-N	303.322	1.270	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)NNCC(F)(F)C(F)(F)F)C1	863096707	SEJOFFYAGSEOEB-VIFPVBQESA-N	317.258	1.063	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NNc1cnccn1	860937205	WKTKCCUKBCFRPA-SNVBAGLBSA-N	309.370	1.565	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(N2C[C@H](C)O[C@H](C)C2)cc1	865016045	UGKJICPYKIYCNQ-TXEJJXNPSA-N	320.393	1.264	50	20	DDGD	
O=C(NNc1cccc(Br)c1)c1ccc(O)nn1	932478488	KEVSHLQRNSKUCM-UHFFFAOYSA-N	309.123	1.702	50	20	DDGD	
CCOC(=O)c1nn(C)cc1C=NNC(=O)NC1CCCC1	769779393	FBAJMMJJDOADGR-UHFFFAOYSA-N	307.354	1.173	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CO[C@H]2CCC[C@@H](C)C2)n[nH]1	869012294	MBGKTZUVSIORIJ-MFKMUULPSA-N	308.382	1.003	50	20	DDGD	
NC(=O)N1CCC[C@H]1C(=O)NNc1ccc(F)c(Cl)c1	863080592	GSOYQDXQRQWXKJ-JTQLQIEISA-N	300.721	1.465	50	20	DDGD	
CCCOc1cccc(C(=O)NNC(=O)Cc2cc(C)[nH]n2)c1	869012089	FVYQXARKSPWYSH-UHFFFAOYSA-N	316.361	1.511	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2cccnc2N)o1	764680417	HOYUXEYLSDGHGQ-UHFFFAOYSA-N	315.377	1.863	50	20	DDGD	
CCCN(CC(=O)N(C)C)S(=O)(=O)CC(C)(C)CCl	866569012	JUQRPNVXITVRHL-UHFFFAOYSA-N	312.863	1.381	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cnc2[nH]cnc2c1	764201175	KQENWLUWAUHOHN-UHFFFAOYSA-N	311.301	1.041	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1cccc2c1OCC2	861377229	TVIDIBSWNVMLEF-GFCCVEGCSA-N	305.334	1.343	50	20	DDGD	
CC[C@H](CC1CCCC1)C(=O)NNC(=O)COCCOC	869910848	ZLNRAPBPGSZUFE-CYBMUJFWSA-N	300.399	1.403	50	20	DDGD	
Cc1cccc2sc(NNC(=O)N[C@@H]3CCN(C)C3=O)nc12	868295073	WJRLDBSGXVUCGX-SECBINFHSA-N	319.390	1.462	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCCCN1CCCCC1=O	866745534	HBHMDGCUGPBHIO-UHFFFAOYSA-N	324.874	1.573	50	20	DDGD	
Cc1cccc2oc(C(=O)NNC(=O)N3CCOCC3)cc12	931114611	VGWMEJAXYFNKOV-UHFFFAOYSA-N	303.318	1.428	50	20	DDGD	
CN(C)N(C(=O)[C@H](F)c1ccccc1)[C@@H]1CCS(=O)(=O)C1	769430841	HVQNSCYHZGQSAS-CHWSQXEVSA-N	314.382	1.190	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)C1(O)CCSCC1	863097667	REWLICKYGBEDJN-UHFFFAOYSA-N	308.272	1.063	50	20	DDGD	
CCNC(=O)C(C)(C)CNS(=O)(=O)CC(C)(C)CCl	866993322	YTSIHXMPLGDBHY-UHFFFAOYSA-N	312.863	1.333	50	20	DDGD	
COc1ccc2c(c1)OC[C@H]2CC(=O)NNc1cnccn1	760567551	NZMXVLUMUDAVJH-SNVBAGLBSA-N	300.318	1.495	50	20	DDGD	
CC(C)[C@H](NC=O)C(=O)NNc1ccc(OC(F)(F)F)cc1	860317539	AGQYWEHXNQXQME-NSHDSACASA-N	319.283	1.799	50	20	DDGD	
Cc1cn2ccnc(C(=O)NNc3ccc([N+](=O)[O-])cc3)c2n1	762139357	GPGXFWHESCARKK-UHFFFAOYSA-N	312.289	1.703	50	20	DDGD	
O=C(NNC(=O)[C@H](O)CCc1ccccc1)c1ccccc1F	764589658	VUPCUCSVWABUJR-OAHLLOKOSA-N	316.332	1.580	50	20	DDGD	
CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)CC(C)(C)CCl	866728730	BWWAUAAZQXUPSP-SNVBAGLBSA-N	310.847	1.038	50	20	DDGD	
Cc1ncc([C@@H](C)NC(=O)NNC(=O)Cc2cccnc2)s1	868209331	AQACUWHWOHQRMO-SECBINFHSA-N	319.390	1.481	50	20	DDGD	
Cc1cc(F)ccc1C=NNC(=O)CNC(=O)c1cccnc1	763193571	APVVFJSROWNRTP-UHFFFAOYSA-N	314.320	1.409	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2nc(-c3ccccc3)c[nH]2)CC1	1116760617	NLNKVJFQHRYACG-UHFFFAOYSA-N	312.377	1.368	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cnn2ccc(C)cc12	766841785	UTYNINILPLBKHO-UHFFFAOYSA-N	324.340	1.726	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=O)c2ccccn2)cc1F	765190054	UMDKCAUXCHLMIF-UHFFFAOYSA-N	316.292	1.254	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)c1cnn2cccnc12	766677888	BCAMHMVUMXTOMY-UHFFFAOYSA-N	311.330	1.491	50	20	DDGD	
CN(CC(=O)N1CCCC1)C(=O)[C@@H](Br)C(C)(C)C	767009389	XTJPAZNFBQRTJZ-LLVKDONJSA-N	319.243	1.877	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@H]1CCCCN(C)C1=O	879758400	RAXMUPIIKQFXBW-LLVKDONJSA-N	309.341	1.536	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1	875146731	GGHRSANDUHOITC-LLVKDONJSA-N	324.356	1.564	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)N[C@@H]1CC12CCC2	872861436	ONRHIXCKMZGIOW-CYBMUJFWSA-N	303.362	1.729	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)Oc2cccc(Cl)c2)on1	772969762	OVXLEQBZDLYYFQ-VIFPVBQESA-N	323.736	1.865	50	20	DDGD	
Cc1nnc(CNC(=O)NNc2cc(F)c(F)c(F)c2)n1C	1116187725	SFVXNMSJAMHYKM-UHFFFAOYSA-N	314.271	1.367	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)[C@@H]1CCCN1c1ncccn1	870213375	XXTMKOKVPGWZAE-ZDUSSCGKSA-N	323.360	1.465	50	20	DDGD	
COCCN(C)NC(=O)Nc1cnn(-c2ccccc2F)c1	878908063	UKSFDCQFSRESJM-UHFFFAOYSA-N	307.329	1.626	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)CC(F)(F)F)c(F)c1	777522775	XGOSEZWTIDWFSK-UHFFFAOYSA-N	306.215	1.742	50	20	DDGD	
O=C(NCc1nc(C(F)(F)F)n[nH]1)NNc1ccc(F)cc1	776252169	AJPMYTNQOPFVNA-UHFFFAOYSA-N	318.234	1.789	50	20	DDGD	
Cn1cccc1C(=O)NN=Cc1cccc(Br)n1	777881383	BYNPTLJPFYJIEQ-UHFFFAOYSA-N	307.151	1.947	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(OC(C)(C)C)cn1	887149277	QEHDXJGNHIEFAZ-UHFFFAOYSA-N	303.362	1.823	50	20	DDGD	
N#CC1=CCN(CC(=O)Nc2ccccc2N2CCCC2=O)CC1	779589997	KRULNYZGOWWCJP-UHFFFAOYSA-N	324.384	1.908	50	20	DDGD	
O=S(=O)(CCCCl)N1C[C@@H](CO)Cc2ccccc21	882213085	USXTUYVVPQOBLK-NSHDSACASA-N	303.811	1.616	50	20	DDGD	
Cc1ccc([C@@H](C)N(C)C(=O)NNC(=O)c2cccnn2)cc1	883849947	MWCWACWTXLDNDU-GFCCVEGCSA-N	313.361	1.832	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cc2c(cc1Cl)NC(=O)CO2	1120497304	UCTRWAQPTSNCEY-UHFFFAOYSA-N	311.725	1.088	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1cc(C#N)cc(Cl)n1	779829112	POBGAYWOXSJVSN-UHFFFAOYSA-N	309.757	1.356	50	20	DDGD	
OCCCc1cn([C@@]2(Cl)C[C@H]2CCBr)nn1	881383978	YHATWZPXKQTTLJ-SCZZXKLOSA-N	308.607	1.900	50	20	DDGD	
COc1cc(C(=O)NNc2cccc([N+](=O)[O-])c2C)nn1C	773458052	ANXMFDPFLQWRPS-UHFFFAOYSA-N	305.294	1.402	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)NCC(=O)OC)cc1OC	779823408	QGAUFRMPWWBRAY-UHFFFAOYSA-N	323.349	1.290	50	20	DDGD	
CCO[C@@H]1C[C@H](NS(=O)(=O)CCCCl)[C@@]12CCCO2	882066081	AONBWUKUYLTBHC-TUAOUCFPSA-N	311.831	1.261	50	20	DDGD	
O=C(C[C@H]1CCS(=O)(=O)C1)NNc1ccc(F)cc1Cl	885135381	BOFSOTYTDCWPJD-MRVPVSSYSA-N	320.773	1.747	50	20	DDGD	
CCOC(=O)c1ccc(CNS(=O)(=O)CCCCl)o1	881974879	LIXDFACDABXPLE-UHFFFAOYSA-N	309.771	1.505	50	20	DDGD	
N#CCCNC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	787349742	OPSPFSSYEMUJCR-UHFFFAOYSA-N	313.264	1.537	50	20	DDGD	
C[C@H](CBr)CN1CCN(CC(C)(C)O)[C@@H](C)C1	782005070	WYXMECJFRUOYQR-NEPJUHHUSA-N	307.276	1.794	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cn(-c2ccccc2C)nn1	887150392	IZOXTAYGMWBCSF-UHFFFAOYSA-N	311.345	1.140	50	20	DDGD	
O=C(NNC(=O)N1CCC2(CCCC2)CC1)c1cccnn1	883851464	SLGRPHBBURBCLE-UHFFFAOYSA-N	303.366	1.487	50	20	DDGD	
O=C(CS(=O)(=O)C1CC1)NNc1c(F)cc(F)cc1F	885153836	RARJORXAULCLMD-UHFFFAOYSA-N	308.281	1.124	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1F)C1(C(=O)NC2CC2)CC1	885110273	VZFLBINHYSIXPB-UHFFFAOYSA-N	311.744	1.981	50	20	DDGD	
Cc1cn2ccc(C(=O)NNC(=O)CC3CCCC3)cc2n1	896033498	NLZCPRKJSMCSEA-UHFFFAOYSA-N	300.362	1.984	50	20	DDGD	
Cc1ccccc1C(=O)NN=Cc1cn(Cc2cccnc2)nn1	783805513	ACNGWVFHZQBCHQ-UHFFFAOYSA-N	320.356	1.794	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCc2cccnc2C)c1	898921328	KBVYCXOJERBLQQ-UHFFFAOYSA-N	318.402	1.947	50	20	DDGD	
Cn1nc(C(=O)NN=C[C@@H]2CCSC2)c2ccccc2c1=O	782151303	BOOURVPUWBLAQP-JTQLQIEISA-N	316.386	1.402	50	20	DDGD	
CCOC(=O)C1(CC(=O)NNC(=O)c2ccc(C)o2)CCC1	789195733	LDMMXALVQUHRIB-UHFFFAOYSA-N	308.334	1.473	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](C)OC[C@@H]2CCCCO2)nc1	781527178	BPFAUFGPNWJWBF-AAEUAGOBSA-N	309.366	1.508	50	20	DDGD	
CN(C(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)c1nn[nH]n1	892954524	KUAGLXDSHWBFPT-MHYGZLNHSA-N	300.160	1.116	50	20	DDGD	
C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(C(F)F)cc1	794509007	XFUFFDCOPYGGBS-MRVPVSSYSA-N	319.333	1.012	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2cccc(OCC#N)c2)n1	794077404	VXAIGUOBRHGLKU-UHFFFAOYSA-N	324.340	1.296	50	20	DDGD	
Cc1ccc2ncc(C=NNC(=O)c3ccc(O)c(O)c3)n2c1	794559067	QOKLISLJBAKZDB-UHFFFAOYSA-N	310.313	1.818	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COc2cccc(Cl)c2)n1	794079752	AUUOKYYYDHSQEY-UHFFFAOYSA-N	319.748	1.883	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COc2ccc(F)cc2F)n1	794090067	OHTFJXKRIYTNCI-UHFFFAOYSA-N	321.283	1.508	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccccc1-n1cccn1	791255359	AHTPWUTXFGEKLX-UHFFFAOYSA-N	319.328	1.672	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H]1CCCCN1C1CCCC1	791226322	WCUKVDFZOPQZCJ-CYBMUJFWSA-N	319.409	1.725	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1ccccc1[N+](=O)[O-]	790181243	JWLXQRDHPUFJJB-UHFFFAOYSA-N	305.338	1.276	50	20	DDGD	
C=C(CBr)COC(=O)[C@@]1(C)CCN(C(C)=O)C1	795533059	HUQMDXDYFJYJTA-LBPRGKRZSA-N	304.184	1.739	50	20	DDGD	
CCc1cccc2c1OCCC2=NNC(=O)CN1CCCC1=O	794878157	DZLAEOXJSCSSDM-UHFFFAOYSA-N	315.373	1.474	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)CN1Cc2ccccc2C1	792635362	CHTWYOCNSVVMBG-AWEZNQCLSA-N	319.405	1.546	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccnc(-n3ccnc3)c2)n1	794086707	VUSRJGJXKDQFBY-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
COc1ccc(/C=C(/C#N)S(N)(=O)=O)c(Cl)c1OC	799894257	QIQXDBJYABFLOM-YVMONPNESA-N	302.739	1.510	50	20	DDGD	
COc1cc(C(=O)NNC(=O)Cn2ccc3ccccc32)ccn1	1318316756	YNYNMILHFNDRHX-UHFFFAOYSA-N	324.340	1.506	50	20	DDGD	
CCNc1nc(C(=O)NNc2nncc(N)c2Cl)cs1	1319261405	GDRZMSXEIGAQGR-UHFFFAOYSA-N	313.774	1.357	50	20	DDGD	
Nc1cnnc(NNC(=O)Cc2cc(F)ccc2F)c1Cl	1319209408	RMWSRCZYLPQNAQ-UHFFFAOYSA-N	313.695	1.676	50	20	DDGD	
Cc1oc(-c2ccco2)nc1CC(=O)NNc1ccn(C)n1	1320948835	ISQVUHRAGINECF-UHFFFAOYSA-N	301.306	1.662	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@@]2(C)CCCO2)cc1	1323742993	PXIDHYVMDARFOC-OAHLLOKOSA-N	307.350	1.208	50	20	DDGD	
CO[C@@H](CC(=O)NNc1nncc(N)c1Cl)C(F)(F)F	1329648231	PELUKJBBIRHSBY-YFKPBYRVSA-N	313.667	1.123	50	20	DDGD	
COc1cccc(C(=O)CCCC(=O)NNc2ccn(C)n2)c1	1325425864	BWLNCRMGIUITCS-UHFFFAOYSA-N	316.361	1.925	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2cnc([C@@H](C)O)s2)CC1	1320995066	QVVYBTOKMLHFIA-GFCCVEGCSA-N	324.450	1.769	50	20	DDGD	
N#Cc1ccsc1NC(=O)C(=O)NNc1ccc(Cl)nn1	1327829100	ZHYUNKUPOGGGBD-UHFFFAOYSA-N	322.737	1.145	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc(F)ccc1-n1cccn1	1321193252	JTEOCYVBCHZWIA-UHFFFAOYSA-N	321.381	1.529	50	20	DDGD	
CCC[C@H](CCc1ccccc1)NC(=O)NNC(=O)C(=O)OC	1252447102	FPABXJAFRRFWNX-CYBMUJFWSA-N	321.377	1.291	50	20	DDGD	
CC(C)c1noc(CCNS(=O)(=O)CBr)n1	1258190913	FILHUYRFDGOGEP-UHFFFAOYSA-N	312.189	1.007	50	20	DDGD	
Cc1cccc(C)c1CCNC(=O)NNC(=O)C1CCNCC1	1331458132	ZWEVBJCTCMARLO-UHFFFAOYSA-N	318.421	1.176	50	20	DDGD	
CC(=O)N1CCC(C(=O)NNc2ccc(C(C)(C)C)nn2)CC1	1251949816	WSCFSWAQSCAYHJ-UHFFFAOYSA-N	319.409	1.476	50	20	DDGD	
COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)CCl	1341510007	WXZQXZIZISQMFE-UHFFFAOYSA-N	312.753	1.487	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1cccc(N2C(=O)CCC2=O)c1	1347643181	BIXJZMJYPFWTKW-KHPPLWFESA-N	313.313	1.722	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)C12CC(C(=O)O)(C1)C2	1601359845	VPDVPYZYBIGVDC-UHFFFAOYSA-N	322.748	1.285	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)nc(NC[C@]2(C)C[C@H]2Br)n1	1605574926	GHIFXCZZCJJLOL-KCJUWKMLSA-N	324.186	1.551	50	20	DDGD	
Cc1ncc2n1CC[C@H](C(=O)NNc1ccccc1C(=O)O)C2	1600748897	FXTAFBXJCAKNNT-NSHDSACASA-N	314.345	1.595	50	20	DDGD	
CCOC1CC(=NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	1604405959	QIAITAAMUONDKV-UHFFFAOYSA-N	300.322	1.151	50	20	DDGD	
COc1cc(-c2nn[nH]n2)ccc1C(=O)NCC(Cl)Cl	1605159947	BRYYCQOTKYNAME-UHFFFAOYSA-N	316.148	1.409	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)Nc1ccc(C(=O)O)nc1	1601557954	CAHDZOOHBXMRED-UHFFFAOYSA-N	307.697	1.977	50	20	DDGD	
Cn1ncc(Cl)c1C(=O)NNc1ccc(C(=O)O)cc1F	1601027254	AHZRABSQSGFVEO-UHFFFAOYSA-N	312.688	1.668	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1ccc(C(=O)O)cc1	1601555439	BDPBOCVJOGITMB-UHFFFAOYSA-N	300.274	1.246	50	20	DDGD	
O=C(NNc1ncccn1)N[C@@H]1C[C@@H](C(=O)O)c2ccccc21	1605820974	PANBTXLUAWYWMG-VXGBXAGGSA-N	313.317	1.416	50	20	DDGD	
Cn1cc(C(=O)NNc2cccc(C(=O)O)c2)c(C2CC2)n1	1600932800	RGOAXMDGGMBMFC-UHFFFAOYSA-N	300.318	1.753	50	20	DDGD	
CC(C)OC1CC(=NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	1609100983	PCLDWXNRUFZBKQ-UHFFFAOYSA-N	314.349	1.540	50	20	DDGD	
O=C(O)c1coc(C(=O)NNc2nc(O)c3ccccc3n2)c1	1602550344	BOYVZNVZNWOVPM-UHFFFAOYSA-N	314.257	1.384	50	20	DDGD	
O=C(NN=Cc1cc(C(=O)O)no1)c1ccc([N+](=O)[O-])cc1	1608476886	BBNVAKIOCVBKJO-UHFFFAOYSA-N	304.218	1.045	50	20	DDGD	
CCOC(=O)C1(CC(=O)NNc2ccccc2C(=O)O)CCC1	1605517142	HFPSORVWMLUUMK-UHFFFAOYSA-N	320.345	1.951	50	20	DDGD	
Cc1oc(C=NNC(=O)COc2ccccc2O)cc1C(=O)O	1608042681	CQFFSFCEEBAQAC-UHFFFAOYSA-N	318.285	1.521	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1cccc(-c2nn[nH]n2)c1	1609558276	YWWUIUFOYUBIJL-UHFFFAOYSA-N	315.337	1.210	50	20	DDGD	
O=C(O)CC1CC(=NNC(=O)c2nnc(-c3ccccc3)o2)C1	1610762204	VZYOUWHHXNLWDB-UHFFFAOYSA-N	314.301	1.707	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)NCC(=O)O)c(C(F)(F)F)c1	1610627618	MMDLUEZWWODCKX-UHFFFAOYSA-N	314.223	1.295	50	20	DDGD	
CC(C)C[C@@H]1COCC1=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1550193570	QBZQDUSFAPSLFM-VNHYZAJKSA-N	309.410	1.014	50	20	DDGD	
CC(=O)N[C@H]1CCc2nc(NC(=O)C(Cl)Cl)sc2C1	1826096233	MSUMOVXKVNEZRR-LURJTMIESA-N	322.217	1.879	50	20	DDGD	
Cn1c(=NNC(=O)C[C@@H](N)C(C)(C)C)sc2ccccc21	1579940010	LCRGWXAUZPYPOC-GFCCVEGCSA-N	306.435	1.935	50	20	DDGD	
Cc1ccc(F)c(OCC(=O)NNC(=O)CCCCCN)c1	1579705780	FTNQPJPZHDQHNL-UHFFFAOYSA-N	311.357	1.179	50	20	DDGD	
C=C(Cl)C[C@@H](N)C(=O)NNc1cc(Br)ncn1	1574857729	XXELQDDLLOZYPY-ZCFIWIBFSA-N	320.578	1.152	50	20	DDGD	
NCCCn1ccc(C(=O)NNc2ccc(F)c(Cl)c2)n1	1580304475	RTGJTNTVENFVMB-UHFFFAOYSA-N	311.748	1.781	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)S	1847868244	XRQCEUCTMKKRJM-WYUUTHIRSA-N	318.870	1.914	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)CCCNC)C2	1845164086	KDRFCUNLBFNCBL-GFCCVEGCSA-N	315.845	1.207	50	20	DDGD	
Cc1cccc(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)n1	1592235643	QTEQICPIJZKGLM-UHFFFAOYSA-N	310.321	1.719	50	20	DDGD	
CC(C)c1nnc(C(=O)NNc2ccc(C(=O)O)cn2)s1	1592050122	LQVXBSKHFIDHOS-UHFFFAOYSA-N	307.335	1.512	50	20	DDGD	
O=C(CNc1cccc(Cl)c1)NNc1ncccc1C(=O)O	1594697312	GQIXPNXTYGPOEC-UHFFFAOYSA-N	320.736	1.988	50	20	DDGD	
CCN(C)C(=O)[C@@H](C)NC(=O)NNc1cccc(C(=O)O)c1C	1596181373	RHQLVZIRLLFQKR-SNVBAGLBSA-N	322.365	1.186	50	20	DDGD	
COc1ccc(C(=O)O)cc1C=NNC(=O)c1cnsn1	1776104846	BJAXAMBZQVDNFU-UHFFFAOYSA-N	306.303	1.009	50	20	DDGD	
CC(=NNC(=O)c1ccc(C)c(O)c1)c1cncc(C(=O)O)c1	1776103768	YWLGOIKUXUGAGU-UHFFFAOYSA-N	313.313	1.948	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=S)NC(C)(C)C	14895344	ZGABSORRWFVZKP-VIFPVBQESA-N	313.398	1.887	50	20	DDGD	
O=C(CCOc1ccccc1F)NNC(=O)c1ccccn1	17328970	ZDFVLLJBQBTWAS-UHFFFAOYSA-N	303.293	1.451	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@@H]1CCCCO1	161288090	XLILGLJKBBYBAM-NSHDSACASA-N	312.753	1.679	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@H]1CCn2cncc2C1	151195769	FQZZCZWMYIZFPO-JTQLQIEISA-N	301.306	1.497	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1cc(F)cc(OC)c1	156743899	WQPAZKIZWHYXHM-SNVBAGLBSA-N	300.330	1.719	50	20	DDGD	
CC1=C(C(=O)NNC(=O)Cc2cn3ccccc3n2)CCCO1	154710141	DFWPDPGSMUPOIT-UHFFFAOYSA-N	314.345	1.109	50	20	DDGD	
O=S(=O)(NC[C@@H]1CC[C@@H](O)C1)c1ccc(CCCl)cc1	236535483	XLBRCTZVRIZLCC-CHWSQXEVSA-N	317.838	1.907	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1cccc(S(=O)(=O)N(C)C)c1	7697424	MLZDHPMRSKYSIW-ZHACJKMWSA-N	323.374	1.319	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1ccc(Cl)nc1	102185747	MWFWZNCMLDPVES-UHFFFAOYSA-N	316.708	1.937	50	20	DDGD	
C[C@@H](NC(=O)C1CCCC1)C(=O)NNC(=O)c1ccccc1	59288752	VZRLATMDYRSSAN-LLVKDONJSA-N	303.362	1.143	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Cc1ccccc1F	55352683	FBJIYYBXEDHFOY-UHFFFAOYSA-N	316.332	1.767	50	20	DDGD	
Cc1cn(CC(=O)NNC(=O)c2cccnc2)c2ccccc12	50535972	XSSIWIYIKXIHRE-UHFFFAOYSA-N	308.341	1.806	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)CCCS(C)(=O)=O	108686435	SCXOEGGOCZHYAV-UHFFFAOYSA-N	315.347	1.942	50	20	DDGD	
CCCN1CC[C@H](CNC(=O)NNC(=O)c2ccc(C)o2)C1	176444087	DPLPDFDUFMQXFU-GFCCVEGCSA-N	308.382	1.264	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cccc(OC(F)F)c1	103424972	DMKHPAZNBBOAKK-UHFFFAOYSA-N	321.283	1.687	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)NCc1ccccc1	171547164	IQKCQUWEZLNSNV-UHFFFAOYSA-N	313.357	1.855	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc2c(C)nn(C)c2s1	110762062	BPNPGBAKVAEORI-UHFFFAOYSA-N	318.362	1.050	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCSC(F)(F)F)o1	177273896	WXMOEIASBCRTRU-UHFFFAOYSA-N	311.285	1.785	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ncc(-c2ccccc2)s1	108881932	SENWMTYZOSPXDQ-UHFFFAOYSA-N	320.374	1.999	50	20	DDGD	
COc1ccccc1N1CCN(S(=O)(=O)CCl)CC1	104332799	WFHITAKHGOWCJG-UHFFFAOYSA-N	304.799	1.343	50	20	DDGD	
CCN(CC)CC(=O)NNC(=O)c1cc2ccccc2cc1O	63683129	JKANQPXKUCEHIE-UHFFFAOYSA-N	315.373	1.648	50	20	DDGD	
Cc1csc([C@H](NC(=O)NNC(=O)c2ccc[nH]2)C2CC2)n1	175834970	YBBMQOBDUGERQO-LLVKDONJSA-N	319.390	1.875	50	20	DDGD	
COC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)c1ccccc1	67913274	KSFJMKWAZNNRAA-LBPRGKRZSA-N	307.350	1.218	50	20	DDGD	
CC(=O)Nc1ccc(O)c(C(=O)NNc2cccc(C#N)c2)c1	119926142	YASSZEVHQRSUJQ-UHFFFAOYSA-N	310.313	1.979	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnn(-c2cccc(Cl)c2)c1C	65189997	VVFYTHQUVPRLAR-UHFFFAOYSA-N	321.768	1.798	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@](C)(O)c1ccc(F)cc1	119149915	BNNBQGYFFVAGEA-HNNXBMFYSA-N	311.357	1.410	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccn1C)n1cnc2ccccc21	170850389	HQGUOTKLRFMMLC-NSHDSACASA-N	311.345	1.397	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)C[C@H]2C=CCC2)nc2ccccc21	61485167	WWNJGHBXGFBPEW-LBPRGKRZSA-N	312.373	1.620	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H](C)NC(=O)c2ccccc2)n1	22233247	VKZRUVPHROOXRI-LBPRGKRZSA-N	313.361	1.355	50	20	DDGD	
COCc1cccc(C(=O)NNC(=O)c2ccccc2OC)c1	67431007	YWZDGOALFRRSIS-UHFFFAOYSA-N	314.341	1.916	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)C=C(C)C	124347502	URBSZMSAQZZSLS-UHFFFAOYSA-N	300.362	1.712	50	20	DDGD	
CSCCNC(=S)NNC(=O)/C=C/c1ccccc1C#N	179543115	RISXXFXDORWICY-VOTSOKGWSA-N	320.443	1.430	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2cc(C)no2)cc1F	67196011	XJFCMYFMFYSLPS-UHFFFAOYSA-N	324.337	1.762	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C[C@@H]2CCCCO2)cc1	124383071	AYRDANNLRFAABD-AWEZNQCLSA-N	305.378	1.514	50	20	DDGD	
CC(C)c1ccccc1NC(=O)C(=O)NNC(=O)c1ccc[nH]1	123208517	OSAJYFLCXBZMEB-UHFFFAOYSA-N	314.345	1.538	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(COC(C)(C)C)on2)o1	184957421	UMTJJWJZZVPSKJ-UHFFFAOYSA-N	321.333	1.966	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2nc(C(C)C)cs2)n1	121793130	ZHJBFNYIWUQKTI-UHFFFAOYSA-N	322.394	1.891	50	20	DDGD	
COc1ccc(NNC(=O)c2c[nH]c(C#N)c2)c([N+](=O)[O-])c1	182492083	GXZWLNMCRLFJJQ-UHFFFAOYSA-N	301.262	1.560	50	20	DDGD	
COCc1cc(CNC(=O)NNc2cccnn2)ccc1F	77663490	DSUCCBJPPOZRAO-UHFFFAOYSA-N	305.313	1.588	50	20	DDGD	
CN(C)CC(=O)NNC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl	77613944	KIVNQFNKMKGMOK-BDAKNGLRSA-N	313.760	1.292	50	20	DDGD	
O=C(NNc1ncccn1)c1cccc(OC[C@H]2CCCO2)c1	124066384	BCDGMRYZYCTWQX-CQSZACIVSA-N	314.345	1.791	50	20	DDGD	
O=C(CC[C@H]1CCCO1)NNc1ccc(C(F)(F)F)nn1	124072547	HLFZSLYQWUAEFT-MRVPVSSYSA-N	304.272	1.898	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)NCc1ccco1	78263228	VNSROGLMBXKOHG-UHFFFAOYSA-N	307.281	1.328	50	20	DDGD	
O=C(NNc1ccncc1)c1ccnc(O[C@H]2CCOC2)c1	184560122	ZYYGYMBOXOMCEW-ZDUSSCGKSA-N	300.318	1.401	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)c2ccc(C#N)cc2)CCO1	127532269	PICPANQGPSHPHN-UHFFFAOYSA-N	302.334	1.023	50	20	DDGD	
CC(C)C(=O)NCCN(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	185902575	JGXRIHARYLAJMT-UVTDQMKNSA-N	315.373	1.530	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CCc1nc(-c2cccs2)no1	77219703	XZFKFYOGQBXUFJ-UHFFFAOYSA-N	322.390	1.924	50	20	DDGD	
CCCCCOCC(=O)NNC(=O)CNc1ccc(C)cc1	76949936	NMFLLONRSOQDOB-UHFFFAOYSA-N	307.394	1.761	50	20	DDGD	
CNC(=O)[C@@H]1CCCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	185874530	HDHFHSLRLDKUAX-WVUXNXBLSA-N	313.357	1.426	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Cc1cc(F)c(F)cc1F	130595716	XCNVJZZOXZBPRN-UHFFFAOYSA-N	323.274	1.432	50	20	DDGD	
CN1CCO[C@H](C(=O)NNc2ccccc2C(F)(F)F)C1	81244676	MEQUKRMLJOAYRS-NSHDSACASA-N	303.284	1.479	50	20	DDGD	
CCCNC(=O)NNC(=O)COc1ccc2c(c1)CCCC2	132564278	UIWPXYIIDHRGQX-UHFFFAOYSA-N	305.378	1.685	50	20	DDGD	
CCCOc1cccc(CC(=O)NNc2nccnc2OC)c1	131970529	BAUATVCKQDVDBR-UHFFFAOYSA-N	316.361	1.960	50	20	DDGD	
CCc1nn(C)c(CC)c1CC(=O)NNC(=O)OC(C)(C)C	190373696	PSODXUOMBFLIQC-UHFFFAOYSA-N	310.398	1.643	50	20	DDGD	
Cc1c(C(=O)NNc2nc3ccccn3n2)cnn1C(C)(C)C	191915143	KHLUMSROVNKHBJ-UHFFFAOYSA-N	313.365	1.746	50	20	DDGD	
O=C(CCn1cnc2ccccc21)NNC(=O)Cc1ccncc1	82977979	VTUMBYVYIFWCKH-UHFFFAOYSA-N	323.356	1.212	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNC(=O)OC(C)(C)C)c1ccco1	43138170	MREPNNLTHUOYNP-SNVBAGLBSA-N	312.370	1.621	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1COc2ccc(F)cc2C1	90068927	NORLHXTWRMOJSX-JTQLQIEISA-N	310.325	1.933	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)n1	249781016	PPHFQZIFTQWMNU-RISCZKNCSA-N	320.441	1.840	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@H](C)C2CC2)cc(OC)c1OC	267112632	ZGJCGABWYCWHIA-SECBINFHSA-N	322.361	1.520	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@@H](C)C(C)(C)C	265222137	XLOWBTDIAYPRLK-LLVKDONJSA-N	307.394	1.937	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	268849298	PHQYFRZRSXAFKX-MRVPVSSYSA-N	317.292	1.169	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(CC)[C@H](C)CS(=O)(=O)CC	269477708	NRCOVZNZQOMXEP-LWMMSDEHSA-N	302.396	1.102	50	20	DDGD	
C=C1CCN(CC(=O)NNC(=O)c2ccccc2Cl)CC1	264478808	POHXFFCQKYRDLC-UHFFFAOYSA-N	307.781	1.753	50	20	DDGD	
C[C@H]1COCCN1C(=O)NNC(=O)c1cccc2ccccc12	266589261	YHWOJUZYKMMJRM-LBPRGKRZSA-N	313.357	1.915	50	20	DDGD	
COC[C@@H](CNC(=O)NNc1ccc(Cl)c(F)c1)OC	272968005	OCWRMCPBJNRFGJ-SECBINFHSA-N	305.737	1.767	50	20	DDGD	
O=C(NNc1cccnn1)c1ccc(O[C@H]2CCOC2)cc1	279702945	JPDNGMPMXPHICW-ZDUSSCGKSA-N	300.318	1.401	50	20	DDGD	
COc1ccc(N(C)S(=O)(=O)CBr)cc1F	272782779	HZXVTPSLUAHFCC-UHFFFAOYSA-N	312.160	1.953	50	20	DDGD	
CCn1c(C)cc(C(=O)NNC(=O)c2cccc(C)n2)c1C	279743437	BAJSPAGTTPSFIC-UHFFFAOYSA-N	300.362	1.903	50	20	DDGD	
CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NNc1ccccc1	279356800	DINCVXRSGAXDHE-JTQLQIEISA-N	303.284	1.833	50	20	DDGD	
O=C1CCSc2ccc(C(=O)NN=c3cc[nH]cc3)cc2N1	370358727	IVNGXMCKMYHRAF-UHFFFAOYSA-N	314.370	1.695	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1	278021251	TWGXVLFCGXACAU-UHFFFAOYSA-N	317.389	1.997	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1c(C)c(C)cc(C)c1C	274349253	KEBNQBBRYSSKIP-UHFFFAOYSA-N	313.423	1.775	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccccc1Cn1cccn1	274373903	FARDCLUAWYOBNI-UHFFFAOYSA-N	301.350	1.238	50	20	DDGD	
CCC(=CC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1)CC	282681451	JPXDEURSAXICTG-UHFFFAOYSA-N	303.362	1.827	50	20	DDGD	
CCC(=O)c1ccc(Cl)c(S(=O)(=O)NNC(C)=O)c1	280048889	XVMKWBUWRGEHIL-UHFFFAOYSA-N	304.755	1.262	50	20	DDGD	
CC1(C)CC[C@@H]1NC(=O)NNC(=O)COc1ccccc1F	286724810	RDRRTADCLRYDRD-LBPRGKRZSA-N	309.341	1.724	50	20	DDGD	
COCCN(C)NC(=O)c1cccnc1OCC(F)(F)F	288377327	IJUPTXRRTFMTCV-UHFFFAOYSA-N	307.272	1.246	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1cccc(Cl)n1	285062713	FMWNIYSGJOXWSC-UHFFFAOYSA-N	314.729	1.229	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)c3cnnn3C)cc2C1	281511870	KPCVFVHXCJGUCU-QMMMGPOBSA-N	319.390	1.076	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1	286388243	OLQUKPSAJXVGEB-LBPRGKRZSA-N	319.361	1.386	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NNC(=O)c1ccccc1	281328230	JDUJJNZMJGXUKD-UONOGXRCSA-N	303.362	1.612	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)C(C)(C)c2ccccc2)CC1	281617818	HFWALDIJEXJQDG-UHFFFAOYSA-N	304.390	1.928	50	20	DDGD	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ccc2c(O)nccc2c1	285595916	FJRBJVLKGFDPKH-QWHCGFSZSA-N	315.329	1.583	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@H](C)CC(N)=O)cc1C	298275304	OAIZGPGKQJNSEJ-SNVBAGLBSA-N	307.350	1.126	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc(N2CCCC2)nc1	299274271	PQWIYPXMHYJAMW-UHFFFAOYSA-N	305.382	1.881	50	20	DDGD	
CC[C@H](C)CONC(=O)NNc1ccc(-n2ccnc2)nn1	292510556	GUHQZBMLYYDKCU-JTQLQIEISA-N	305.342	1.266	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1C(=O)NNc1nccc(N2CCOCC2)n1	294839037	FCHGWMVICQZRDC-OLZOCXBDSA-N	319.409	1.583	50	20	DDGD	
O=C(Cn1ccc(C(F)(F)F)n1)NNc1ncccc1F	804217504	AXEAKAJWZUQEKI-UHFFFAOYSA-N	303.219	1.579	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)CC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	294133642	GOXPPKFRVATJGV-AUTRQRHGSA-N	309.366	1.500	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCCCO2)c2c(C)noc2n1	295326737	GZGLKJZXXCFVIM-LLVKDONJSA-N	318.333	1.170	50	20	DDGD	
O=C(NNc1ccncn1)NC1CCN(C2CCCC2)CC1	296520055	PAGCVNOTABWEGA-UHFFFAOYSA-N	304.398	1.510	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCC(C)(C)C2)cc1	801111969	XQWYAIWLTFVCHS-LBPRGKRZSA-N	317.389	1.907	50	20	DDGD	
O=C(Cc1cc(F)cc2c1OCOC2)NNc1ncccc1F	804217451	ZMJCYUCMJISIHJ-UHFFFAOYSA-N	321.283	1.912	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(-n2ccnc2)nn1)c1ccccn1	804954149	AWFBNTYQXWLLDD-NSHDSACASA-N	309.333	1.304	50	20	DDGD	
CNc1ccc(C(=O)NNc2ccc(OC)cc2[N+](=O)[O-])cn1	802772451	LWGUFTJUTWRNBX-UHFFFAOYSA-N	317.305	1.797	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NCC2(CC(N)=O)CC2)c(C)c1	817787156	JMKBZFHHVYUUBL-UHFFFAOYSA-N	304.394	1.894	50	20	DDGD	
CCOc1ccc(NNC(=O)c2cc(=O)c(OC)co2)cc1	817899116	IEIWNQYSGQJYLQ-UHFFFAOYSA-N	304.302	1.804	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccnnc1	817693261	LRJONZRZULOBHZ-RWMBFGLXSA-N	302.378	1.844	50	20	DDGD	
CO[C@H]1CCC[C@@H](C(=O)NNC(=O)Cc2ccccc2F)C1	814409418	IBGNWOXIYXTLDS-OLZOCXBDSA-N	308.353	1.721	50	20	DDGD	
CCCN(CC)C[C@H](C)NC(=O)NNc1cccc(OC)n1	811978208	LQJSFEFCQIGWCH-LBPRGKRZSA-N	309.414	1.837	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@@H](F)C(F)(F)F	811507497	DUBBYTUVEMTHAI-SECBINFHSA-N	303.215	1.872	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)CC12CCC(CC1)CC2	814390394	YOTQVBSQXNJPAI-UHFFFAOYSA-N	303.428	1.453	50	20	DDGD	
Nc1ccc2c(c1)C(=NNC(=O)CN1CCCC1=O)CCCC2	817323122	SJBVDNYKUWSORQ-UHFFFAOYSA-N	314.389	1.438	50	20	DDGD	
CCOc1ccccc1CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	825747875	AZRVJUBDHYXPTE-WCQYABFASA-N	321.377	1.341	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N(C)[C@@H]2CCCOC2)cc(C#N)n1C	490942194	NIEHMQZPYJOEBV-KEQVLUGWSA-N	312.373	1.750	50	20	DDGD	
CC#CCCCC(=O)NNC(=S)NCCc1cccs1	820171607	UJFSUCUWBHINHO-UHFFFAOYSA-N	309.460	1.980	50	20	DDGD	
CC(C)C(=O)N1CCCC[C@@H]1C(=O)NNC(=O)OC(C)(C)C	490732721	APDRNUQMFBLKRD-LLVKDONJSA-N	313.398	1.579	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2C[C@H](C)OC2=O)cc1	491158875	GRJSNCDWHLXMED-JZQZCQBLSA-N	314.341	1.812	50	20	DDGD	
CC(C)c1ccc(NNC(=O)N[C@@H]2CCC(=O)N(C)C2=O)cc1	824788225	KUGFTUILWDHMLD-CYBMUJFWSA-N	318.377	1.584	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)C(C)C)NC(=O)OC(C)(C)C	497312960	JTWJPFCUSSOFAK-JTQLQIEISA-N	316.402	1.276	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1nnc(C2CC2)s1	726872825	YEBALURSHQDPDU-UHFFFAOYSA-N	304.335	1.277	50	20	DDGD	
OB(O)c1ccccc1CNC[C@@H]1CCCC[C@@H]1C(F)(F)F	585031000	ODMGMRPCSILKOF-AAEUAGOBSA-N	315.144	1.825	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)Cn1nc(C(F)F)cc1C(F)F	822557885	OLTJSCRDNJFBDT-LURJTMIESA-N	312.267	1.102	50	20	DDGD	
CCN(CC)Cc1ccc(NCc2cccc(B(O)O)c2)cc1	585036747	MCORJUCCTOBDMQ-UHFFFAOYSA-N	312.222	1.820	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc(OC2CC2)cc1	829724517	OQXUUVUJKGATOT-SNVBAGLBSA-N	312.391	1.583	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)/C=C\[C@@H]1CCOC1)c1ccccc1	493614336	LUTOLPSIWYVBJV-DQOKEGCPSA-N	302.374	1.920	50	20	DDGD	
C[C@H](CSc1ccc(F)cc1)C(=O)NN(C)[C@@H](C)CO	823945992	BXCZCXQGMPHWHQ-MNOVXSKESA-N	300.399	1.898	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1C(=O)NNC(=O)CNC(=O)OC(C)(C)C	496222833	DXFIMXZSGLYIFG-MNOVXSKESA-N	313.398	1.485	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)Cc2ccc(C)c(Cl)c2)n[nH]1	823368590	LKXMSVMDUBQVKM-UHFFFAOYSA-N	320.780	1.613	50	20	DDGD	
CN(N=Cc1cn(Cc2cccnc2)nn1)C(=O)OC(C)(C)C	495237634	MIWJJXYVNQHAMI-UHFFFAOYSA-N	316.365	1.922	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@@H](CCO)C2CCCCC2)cn1	491176947	SRIYPLHYCGTGDA-TYWAAFNRSA-N	316.405	1.775	50	20	DDGD	
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)c2ccccc2)C1=O	825583048	JNZQMYOJFCJPNX-LBPRGKRZSA-N	318.377	1.030	50	20	DDGD	
COc1ccc(NNC(=O)/C=C/[C@H]2CCOC2)c([N+](=O)[O-])c1	493549152	HBLJZMGWGAVSMV-FWYAXHSGSA-N	307.306	1.639	50	20	DDGD	
Cc1nn(C)cc1CC(=O)NNc1ccc(C(F)(F)F)cn1	828829246	ROLXOHPSNIOERB-UHFFFAOYSA-N	313.283	1.828	50	20	DDGD	
COCCN(C(=O)/C(C#N)=C\c1cnn(C)c1)[C@@H]1CC[C@H](C)C1	491135823	UXIKVSWLLDHZAZ-ORUOVYNKSA-N	316.405	1.991	50	20	DDGD	
C=C[C@H](CC)CC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	825347286	LMESYJIMKITKPA-GFCCVEGCSA-N	311.426	1.679	50	20	DDGD	
Cc1ccc(C[C@@H](C)NC(=O)c2ccc(B(O)O)cc2)c(C)c1	584941491	JAIUPAMLVLYHLN-CQSZACIVSA-N	311.190	1.344	50	20	DDGD	
CSC[C@H](NCc1cccc(B(O)O)c1)c1ccccc1	585029226	PRRZXCHBIHESHW-INIZCTEOSA-N	301.220	1.560	50	20	DDGD	
COCCCOCCC(=O)NNc1nc(-c2cccnc2)no1	827105936	KRPJNEHAWIVPHG-UHFFFAOYSA-N	321.337	1.018	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CCS[C@H]2C)c1	828548552	FMFCRZSBGCAQFJ-CABZTGNLSA-N	309.391	1.993	50	20	DDGD	
CCOCCO[C@H]1CCN(C(=O)[C@@]2(C)C[C@@H]2Br)C1	907099536	ALBCXFICPVZEJV-GVXVVHGQSA-N	320.227	1.814	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNC(=O)c1ccc(Cl)cc1O	732275500	YQPGRNMSMUSYTJ-NSHDSACASA-N	311.769	1.291	50	20	DDGD	
C#CCCCC(=O)NN=C1C(=O)Nc2cc(OC)c(F)cc21	901325218	DOBXHZHAUMWSIB-UHFFFAOYSA-N	303.293	1.410	50	20	DDGD	
O=C(/C=C\SCc1ccco1)NNC(=O)Cc1cc[nH]n1	492552161	PFFGQESGYIZKAG-DAXSKMNVSA-N	306.347	1.140	50	20	DDGD	
OB(O)c1ccc(-c2noc([C@H]3CCCC(F)(F)C3)n2)cc1	585055383	YJHYAAUDQWZSRC-JTQLQIEISA-N	308.093	1.709	50	20	DDGD	
C[C@@](NS(=O)(=O)CCl)(C(N)=O)c1cccc(Cl)c1	830800085	YEHZYXQNEWTNEH-JTQLQIEISA-N	311.190	1.156	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CC[C@@H]2CC[C@@]21c1ccccc1	585010458	RLLIKLLXGRMFBP-QFBILLFUSA-N	321.185	1.518	50	20	DDGD	
C[C@H](NC(=O)[C@]1(C)C[C@@H]1Br)[C@@H](C)N1CCOCC1	906584695	WCQFWKHEKUFXMQ-SRRSOLGSSA-N	319.243	1.385	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccc2ncccc12)n1cccn1	730225056	JXIQFLYHGQYITD-LLVKDONJSA-N	309.329	1.454	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C	837628153	QKHHTJUZJWOXCX-NSHDSACASA-N	315.414	1.241	50	20	DDGD	
C[C@@H](CBr)CN1CCC[C@H](NC(=O)N(C)C)C1	832551113	ZBBZCKSDUNWSRV-QWRGUYRKSA-N	306.248	1.753	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2cc(Cl)ccc2[N+](=O)[O-])C1=O	833773786	DUYSUSSRPFBIIN-MRVPVSSYSA-N	312.713	1.170	50	20	DDGD	
O=C(NC[C@H]1COCCO1)NNc1cc(F)c(F)cc1F	734659997	JAOHMJUYETWJRB-ZETCQYMHSA-N	305.256	1.145	50	20	DDGD	
COc1ccccc1OC[C@@H](C)CNS(=O)(=O)CCl	830981884	WHUWGFUZTWAETO-JTQLQIEISA-N	307.799	1.826	50	20	DDGD	
COc1cc(C(=O)NN=C2C[C@@H](C)O[C@H]2C)cc(OC)c1OC	834921102	REGKIBHUZOBNLT-ZJUUUORDSA-N	322.361	1.996	50	20	DDGD	
O=C(NCC1Cc2ccccc2C1)NNC(=O)[C@H]1CCCCO1	836308358	GBLJTBAMYLUPAN-OAHLLOKOSA-N	317.389	1.301	50	20	DDGD	
CCC[C@@H](C=NNC(=O)Cn1nnc(-c2ccccc2)n1)OC	834921098	OZZZZHIBYYPKKL-ZDUSSCGKSA-N	316.365	1.257	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)C#CC(C)(C)C	837502261	IPXYTWXBMMSQMN-UHFFFAOYSA-N	320.414	1.984	50	20	DDGD	
CCOCCCN1CCC(=NNC(=O)c2ccc[nH]2)[C@H](C)C1	735227405	SWTRQCVVNBCXSF-CYBMUJFWSA-N	306.410	1.869	50	20	DDGD	
COc1ccc(NNC(=O)NCCc2ccc(C)cn2)nc1	836683060	CUUGJQTXQHHTQX-UHFFFAOYSA-N	301.350	1.662	50	20	DDGD	
COc1ncccc1NC(=O)NNC(=O)c1ccc(O)cc1	918542296	WBEPGBUDMKUHTR-UHFFFAOYSA-N	302.290	1.262	50	20	DDGD	
Cc1cc(NNC(=O)C2CN(C(=O)C3CCCCC3)C2)ncn1	839683733	PNMLZUPRTVLWKW-UHFFFAOYSA-N	317.393	1.267	50	20	DDGD	
Cc1ncsc1C=NNC(=O)[C@@H]1COc2ccccc2O1	743423701	UVPNBPZSFVUTFE-LBPRGKRZSA-N	303.343	1.742	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1ccc(C2CC2)nn1	836457440	DEGOGGVMICYOBF-NSHDSACASA-N	305.338	1.076	50	20	DDGD	
C[C@]1(C(=O)NCCC(=O)Nc2ncc[nH]2)C[C@H]1Br	910327705	PTEHATNUZBHHQA-HQJQHLMTSA-N	315.171	1.028	50	20	DDGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccc2nnnn2c1	747996019	WEEJHVUBPICZHK-UHFFFAOYSA-N	322.250	1.900	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H](C)[C@H]2CCCNC2)cc1	841928848	SZAOGQRBAHXBIR-DOMZBBRYSA-N	318.421	1.581	50	20	DDGD	
Cc1ccc(C2(C(=O)NN(C)C[C@H](C)O)CCOCC2)cc1C	910140066	GRKUMQNNLMZVPR-HNNXBMFYSA-N	320.433	1.695	50	20	DDGD	
Cc1ncc(C=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)s1	917539596	BYDOCCKFKNZIPJ-UHFFFAOYSA-N	305.319	1.706	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccnn1CC(C)C	843546008	JYFWJIONDNSNSJ-UHFFFAOYSA-N	316.361	1.623	50	20	DDGD	
CCCC(O)(CCC)CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843972324	AMZGBRHVUZCYPT-NEPJUHHUSA-N	300.399	1.280	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)[C@H]1CCc2ncncc2C1	843856695	ZFSQHHJMCLHUMW-VIFPVBQESA-N	303.753	1.195	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)Cc1nc2ccccc2n1C	749758892	UYVQBGFFJPXFCX-SNVBAGLBSA-N	319.434	1.410	50	20	DDGD	
COCCOCC(C)=NNC(=O)COc1ccc(C)c(C)c1	741161362	REZMDKVZHCYSNM-UHFFFAOYSA-N	308.378	1.837	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=C1CO[C@@H](C)C1	842536406	RQHPPCUMJGPGDS-CMPLNLGQSA-N	309.366	1.184	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)SCc1ccccc1C(=O)OC	845340846	GRRGUVMYQHSMMD-SNVBAGLBSA-N	324.402	1.652	50	20	DDGD	
COc1ccc(COCC(=O)NNC(=O)c2cccn2C)cc1	916161031	FUEUSTNJFMAHEV-UHFFFAOYSA-N	317.345	1.012	50	20	DDGD	
C=C[C@@H](C)ONC(=O)NNC(=O)COc1cc(C)cc(C)c1	845640507	XVDNKTDRQIHVNY-GFCCVEGCSA-N	307.350	1.519	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cc(F)c(O)c(F)c1	749860166	XBIKYTAIFDIEPZ-UHFFFAOYSA-N	313.304	1.425	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)NC1CC1	840288508	LJFQQWOPEVIBNB-NWDGAFQWSA-N	304.306	1.191	50	20	DDGD	
Cc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	843648436	QNLBCVIQKAATFA-OUCADQQQSA-N	306.362	1.335	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@]1(Cl)C[C@H]2CC[C@H]1O2)C1CC1	912161183	QMPUXOXLUYBSBC-HMMKDHSLSA-N	317.842	1.209	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)Cc1ccc(Br)c(F)c1	910161392	YVDPIPWUUQKDBJ-MRVPVSSYSA-N	319.174	1.475	50	20	DDGD	
CSc1ccc(C(=O)NNC(=O)NC(C)C)cc1[N+](=O)[O-]	745146358	NXSNOUQLZYSUAH-UHFFFAOYSA-N	312.351	1.669	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1c(C)ccc2ncccc12	748640036	MFYFFTLTQPRJSP-SNVBAGLBSA-N	321.402	1.899	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1nsc2ccccc12	911502598	KDKHQZRJZUUEGU-IUCAKERBSA-N	305.359	1.482	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccccc1F)[C@H]1CCCNC1	841928946	VUOCGHIPGUVISL-MNOVXSKESA-N	308.357	1.158	50	20	DDGD	
N[C@H]1CCC[C@H](NC(=O)NNC(=O)CCc2ccccc2)C1	841981372	ALNRZTPRELGDEZ-KBPBESRZSA-N	304.394	1.220	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H](C)CN2CCCCCC2)nn1	841614779	QXZAYRAWPYXRGE-CYBMUJFWSA-N	303.410	1.747	50	20	DDGD	
CC(=NNC(=O)Cn1nc(C)cc1C)c1nc2ccccc2n1C	744742174	CSNUBTBLYRJJMI-UHFFFAOYSA-N	324.388	1.927	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cnc3n2[C@H](C)CCC3)n1	845141625	TWFMHEGWTUKRCZ-LLVKDONJSA-N	300.366	1.944	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@H]1CNCCC1(F)F	843421643	KHNCUGVYYSJHKY-SNVBAGLBSA-N	323.303	1.425	50	20	DDGD	
O=C(NCc1ccco1)NN=C1CCN(c2cnccn2)CC1	920828867	GNXYFHZGCZZRBO-UHFFFAOYSA-N	314.349	1.525	50	20	DDGD	
COC[C@@H](NC(=O)NNc1cc(F)ccc1F)[C@H]1CCCO1	922251772	ZDMGBIZNCOBGKV-CHWSQXEVSA-N	315.320	1.785	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)CN(C)C(=O)C1CC1	759220220	CHEOMYAGKAVLAN-UHFFFAOYSA-N	306.318	1.985	50	20	DDGD	
COC1(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)CCCC1	754173353	CCKQYBFXJYTXHB-UHFFFAOYSA-N	315.373	1.817	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N1CC[C@@H]2C[C@H]2C1	851915870	PNDCUTNTRCBBIZ-NEPJUHHUSA-N	313.361	1.339	50	20	DDGD	
CO[C@@H](C)CCNC(=O)NNc1ccc([N+](=O)[O-])cc1F	853641612	QRASVGAKSNHUSV-QMMMGPOBSA-N	300.290	1.785	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cc(O)c2ccsc2c1	923059546	NCPWGSHFABHWKW-UHFFFAOYSA-N	320.370	1.795	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1cnn(C2CC2)c1	858144384	OKSLMSLMUZFGPN-UHFFFAOYSA-N	318.308	1.197	50	20	DDGD	
O=C(CCCCN1CCCC1)NNC(=O)c1cccc(F)n1	856423787	CQZCZEGVBLBDCT-UHFFFAOYSA-N	308.357	1.248	50	20	DDGD	
CC[C@]1(COC)NC(=O)N(C[C@@]2(C)C[C@@H]2Br)C1=O	857227067	FOPYTYIZDZIAIW-XXILOJSOSA-N	319.199	1.507	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNC(=O)OCC(F)(F)F)c1	856025548	SWUBFENXBSLUMS-UHFFFAOYSA-N	320.223	1.407	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)CNc2ccc(C)cc2)c[nH]1	753160833	NJFFBTSUFOGUQA-UHFFFAOYSA-N	314.345	1.672	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)COc1ccc(F)cc1)C1CC1	920054816	VODQQTABRPQUOY-JTQLQIEISA-N	309.341	1.581	50	20	DDGD	
CN(C)C(=O)c1ccc(C=NNC(=O)NCc2ccco2)[nH]1	752164645	OCUFZFSNQCUYDK-UHFFFAOYSA-N	303.322	1.143	50	20	DDGD	
CCNc1nc(C(=O)NNc2cc(Cl)nc(N)n2)cs1	753453966	AJMLKJZRUDOJMB-UHFFFAOYSA-N	313.774	1.357	50	20	DDGD	
CCCN(C(=O)NC[C@]1(C)C[C@H]1Br)[C@@H]1CCNC1	857105606	NVQGSRAMRWRXOV-WZRBSPASSA-N	318.259	1.943	50	20	DDGD	
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NN)cc1	920433915	SUSDUCIUWZMKOI-UHFFFAOYSA-N	321.358	1.100	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(-c3ccccn3)no2)o1	752780068	YQUSMEUTMUOTMZ-UHFFFAOYSA-N	312.285	1.713	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cccc(CN(C)C)c1	929565414	QWTSHIGMTHAYRM-UHFFFAOYSA-N	302.378	1.704	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@H]1CCCc2nn[nH]c21	854459650	NUTUJTZOIAFIQL-JTQLQIEISA-N	313.365	1.425	50	20	DDGD	
O=C1CCCc2cc(C(=O)NNC(=O)NCC3CC3)ccc2N1	920859012	OQTGIPYQERAKDR-UHFFFAOYSA-N	316.361	1.315	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)C(=O)NNc1ccc([N+](=O)[O-])cc1F	855623754	OKIJHVPGSPCYLA-VIFPVBQESA-N	321.312	1.789	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=Cc2cnc3n2CCC3)c1	853271014	VJUPWWHZKWPLAY-UHFFFAOYSA-N	314.345	1.610	50	20	DDGD	
CCOC(=O)c1nc(=NC[C@]2(C)C[C@@H]2Br)cc[nH]1	856786351	GIGZDCOTPZQCBZ-UFBFGSQYSA-N	314.183	1.661	50	20	DDGD	
CC(C)C(=O)Nc1ccc(C(=O)NNc2cnnn2C)cc1	857271503	OLNAZKMUFIKHBE-UHFFFAOYSA-N	302.338	1.167	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@@H](O)c1cc(F)c(F)c(F)c1	856402676	DJSNXTCVOAIXPY-YPUOHESYSA-N	314.263	1.697	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Nc2cccnn2)c1	757661751	QHXGMWPNQAROOI-UHFFFAOYSA-N	301.306	1.017	50	20	DDGD	
COc1ccc([C@@H]2C[C@H]2C(=O)NNc2nnc(C)c(O)n2)cc1	856792830	CFMJVRWJTNLJLY-NWDGAFQWSA-N	315.333	1.141	50	20	DDGD	
CN(C)CC(=O)NN=Cc1ccc(OCC(F)(F)F)c(F)c1	758106468	GSZYIRRNWRMYMR-UHFFFAOYSA-N	321.274	1.779	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)C(C)(C)C)C1CCOCC1	853407658	UTKMXIJMCYMFBR-UHFFFAOYSA-N	311.426	1.848	50	20	DDGD	
COCCCOc1cccc(C(=O)NNC(=O)N(C)C)c1C	931119872	SERDSAZQFCIGRI-UHFFFAOYSA-N	309.366	1.326	50	20	DDGD	
C[C@@]1(CNC(=O)NCc2cccnc2O)C[C@H]1Br	858627486	ALBBEPATHKMQGM-SKDRFNHKSA-N	314.183	1.760	50	20	DDGD	
CCC[C@H](C(=O)NNc1cccc(F)c1Cl)S(N)(=O)=O	862508689	WZJGKXZCZSYTSC-SECBINFHSA-N	323.777	1.379	50	20	DDGD	
C[C@@](NC(=O)NNC(=O)c1cc[nH]n1)(C1CC1)C(F)(F)F	933567656	QHYBLTLQHUWHAA-SNVBAGLBSA-N	305.260	1.085	50	20	DDGD	
CC(C)[C@@H]1C[C@H](C(=O)NNC(=O)c2cccc(C#N)c2)CCO1	931934872	HBXRBUWIHZPTLV-CABCVRRESA-N	315.373	1.770	50	20	DDGD	
COC(=O)c1cc2c(C=NN(C)C(N)=O)ccc(OC)c2o1	767907865	LBPBIYSRYLCPNC-UHFFFAOYSA-N	305.290	1.572	50	20	DDGD	
Cc1cc(C(=O)NN[C@@H](C)C(F)(F)F)c(N)c([N+](=O)[O-])c1	862311812	UHSYNUIUETWMKM-LURJTMIESA-N	306.244	1.671	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(/C=C(\C#N)C(=O)OCCOC)c1C	863176582	XATQZYRBKUQKFX-XYOKQWHBSA-N	320.345	1.905	50	20	DDGD	
N#Cc1ccc(F)c(CS(=O)(=O)NCC(Cl)Cl)c1	867469953	FRWXNWHYTPVHTD-UHFFFAOYSA-N	311.165	1.920	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1F)c1cnn2ncccc12	765445376	RCVMEILEPVDLLG-UHFFFAOYSA-N	307.235	1.904	50	20	DDGD	
CNc1nnc(CC(=O)NNc2ccccc2C(=O)OC)s1	760017920	LJPBFMUHXUMMTF-UHFFFAOYSA-N	321.362	1.052	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)CCC1=O	763258142	GETPHKJEDCVJRJ-DGCLKSJQSA-N	317.389	1.519	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@H]1C[C@@]12CCOC2	763724020	VEDFYBGOCINIBW-CXAGYDPISA-N	313.357	1.284	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)c2cnn(C)c2)[C@@H](C)C1	761266370	FUNXHYANQYEXEH-WDEREUQCSA-N	306.366	1.505	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCC(=O)N2)ccc1OC(C)C	863147004	WOTNXTYOHHQFKT-LBPRGKRZSA-N	319.361	1.211	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H]2CCC(=O)N2)ccc1Br	863149441	ZVOARPOPTRUDJH-NSHDSACASA-N	324.178	1.486	50	20	DDGD	
CN(C)C(=O)COC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	769983871	YFBYBDXKBZDNFN-YGOYTEALSA-N	304.184	1.572	50	20	DDGD	
C[C@@H](NNC(=O)C[C@H](n1cccn1)C(F)(F)F)C(F)(F)F	862322759	PFMPGJQBBLGIPV-RQJHMYQMSA-N	318.221	1.948	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNC(=S)NCC2CCC2)n1	869217014	KVTVKNVRMSRDLI-JTQLQIEISA-N	309.439	1.123	50	20	DDGD	
Cc1cccc(NNC(=O)Nc2cnn(C[C@H]3CCCO3)c2)n1	860685161	IOXWTEJJIBWOFC-CYBMUJFWSA-N	316.365	1.914	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)Nc2ccc3c(c2)OCO3)n[nH]1	764497894	ORERRAKSGDBWGA-UHFFFAOYSA-N	319.346	1.078	50	20	DDGD	
CC(CCN(C)C)=NNC(=O)CCCNC(=O)OC(C)(C)C	767385299	HFSBZXIIDIGWQZ-UHFFFAOYSA-N	314.430	1.735	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CCC(=O)N1)c1cccc([N+](=O)[O-])c1	863146489	WMZVTFWAZUHREB-LBPRGKRZSA-N	304.306	1.104	50	20	DDGD	
CC[C@H]1CCCC[C@H]1OCC(=O)NNC(=O)NCCCOC	767319781	DROOLGJEFCVLKG-QWHCGFSZSA-N	315.414	1.339	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)c1cc(Cl)ccc1O)C1CC1	863852932	ILOSVTOZLMOTJL-LBPRGKRZSA-N	312.753	1.622	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNC(=O)c1ccc(OC)cc1	1116410526	KREUXXMCCFBWJZ-UHFFFAOYSA-N	308.334	1.046	50	20	DDGD	
CC(CCN(C)C)=NNC(=O)C1CCN(c2ncccn2)CC1	767379599	ZOFWKVLZIOLNAC-UHFFFAOYSA-N	318.425	1.137	50	20	DDGD	
O=C(CN1CCCC[C@@H]1c1ccccc1)NNC(=O)C1CC1	762635215	SXVVYYJFTWWPBQ-OAHLLOKOSA-N	301.390	1.771	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1cccc2c1CCC2	1115890234	AVNXCHBOPMDKLJ-UHFFFAOYSA-N	324.384	1.852	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1cnn2ccncc12	1116866720	BLZOMEFLJZUIOX-UHFFFAOYSA-N	322.250	1.900	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1cccc(C)c1Cl	878853254	JMXUMKRCTZLFAT-UHFFFAOYSA-N	315.757	1.464	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=Cc1cccnc1N	764665020	HEJXLWOFXMJHIK-UHFFFAOYSA-N	314.345	1.592	50	20	DDGD	
Cn1c(C(=O)NNC(=O)CCCc2ccccc2)cnc1Cl	874326400	NBDVODRVEJIICA-UHFFFAOYSA-N	320.780	1.857	50	20	DDGD	
COC(=O)N1CC(NC(=O)NNc2cccc(F)c2Cl)C1	875399324	VDHCVTBXMGDMPM-UHFFFAOYSA-N	316.720	1.556	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	878814293	IBVCJCMIAPESJD-COPLHBTASA-N	324.402	1.348	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cc(N2CCN(C)CC2)ccn1	870667502	YLVPGMSHPBSFGI-OUKQBFOZSA-N	315.377	1.216	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1nccs1	770076665	UYBBIVKRFJCXDB-UHFFFAOYSA-N	305.359	1.546	50	20	DDGD	
O=C(NNC(=O)c1c[nH]cc1C1CC1)c1ccc2c(c1)OCO2	877941518	IMYCVJJTKCTIBY-UHFFFAOYSA-N	313.313	1.696	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2cccnc2)c(F)c1	771846589	QQBMPSSEVJOZMS-UHFFFAOYSA-N	317.276	1.082	50	20	DDGD	
COC(=O)N(C)NC(=O)NCC(=O)Nc1ccc(Cl)cc1	875139229	VDZPVSSMGGOHAQ-UHFFFAOYSA-N	314.729	1.191	50	20	DDGD	
CC(C)CCn1nccc1NC(=O)NNC(=O)c1cnn(C)c1	779470178	XCLSCFQTODLZGD-UHFFFAOYSA-N	319.369	1.129	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)C(=O)Nc1ccc(C#N)cc1	773992979	PNMOEACQZLYRLK-UHFFFAOYSA-N	324.344	1.553	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc(NC(=O)[C@@H](C)OC)c1	878464490	ZCKUKUMVXKVOHG-LLVKDONJSA-N	324.381	1.275	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1nncn1Cc1ccccc1	872385025	ZNVHDVNXFQCSDB-OCCSQVGLSA-N	313.361	1.202	50	20	DDGD	
CCCc1cccc(C=NNC(=O)CNC(=O)c2cccnc2)c1	774391682	UUSXIVHLBVMOOK-UHFFFAOYSA-N	324.384	1.914	50	20	DDGD	
Cc1cccnc1NC(=O)NNC(=O)c1n[nH]c2c1CCCC2	1116737777	GPMGGFKJJWUIFA-UHFFFAOYSA-N	314.349	1.458	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NN=Cc1cnsc1	872387386	KQOYBVANGYUHJZ-VXGBXAGGSA-N	319.390	1.495	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)c1nc2ccccc2s1)C1CC1	874914585	ZRYMVONACMURSI-AWEZNQCLSA-N	305.359	1.218	50	20	DDGD	
CCOC(=O)[C@](C)(O)CNC(=O)[C@@H](Br)C(C)(C)C	774020696	CAPFOMBVDGUHJD-PRHODGIISA-N	324.215	1.226	50	20	DDGD	
CC(=NNC(=O)c1cccc(S(C)(=O)=O)c1)[C@@H]1CCCOC1	779772556	IULFJTIPTQRCAP-CYBMUJFWSA-N	324.402	1.622	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H]1c1ncc[nH]1	778226771	RUKWRVJHKATZDX-VXGBXAGGSA-N	307.398	1.129	50	20	DDGD	
COCC(=O)NNC(=O)Nc1nc(C2CCCCC2)cs1	880244768	FONQEEWYJVOXLH-UHFFFAOYSA-N	312.395	1.990	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2c(C)nn(C)c2C)cc1O	882047844	WZILBZINIRCXAH-UHFFFAOYSA-N	316.361	1.055	50	20	DDGD	
COc1ccc(SC)c(OC)c1C(=O)NNC(=O)C1CCC1	775732755	PVLVSKQPLMDJIZ-UHFFFAOYSA-N	324.402	1.987	50	20	DDGD	
O=C(CN1CCC[C@@H]2CCC[C@@H]21)NNC(=O)c1cccs1	777589527	AGFJWKXGXDQKEA-RYUDHWBXSA-N	307.419	1.774	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1cc(OC)ccc1OC	887139309	JTWLIOIOGMNZGL-UHFFFAOYSA-N	304.346	1.197	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H]1CCCCS1(=O)=O	772867529	UKGFRWMLMPVGAV-JTQLQIEISA-N	312.395	1.010	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COc2ccc(Cl)cc2)n1	888169204	CETUJQCYIKLTEO-UHFFFAOYSA-N	319.748	1.883	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(-c2nnc(C)o2)cc1	887144634	UWLBILBZXWGGDA-UHFFFAOYSA-N	312.329	1.610	50	20	DDGD	
CC[C@H]1CCCC[C@H]1OCC(=O)NNC(=O)C1CCOCC1	883068258	NHQCWXULGOGJFF-GXTWGEPZSA-N	312.410	1.546	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1COc2ccc(Cl)cc2C1	887139223	GLVHPLIFPWCZBB-GFCCVEGCSA-N	320.776	1.842	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNC(=O)CNc1ccccc1	780329596	OUKUTZHDJXJQNF-UHFFFAOYSA-N	321.377	1.225	50	20	DDGD	
CC(C)(C)S(=O)(=O)CC(=O)NNc1ccc(F)c(F)c1	885113282	VQDOYDGMMBVSQU-UHFFFAOYSA-N	306.334	1.621	50	20	DDGD	
CCN(CCNS(=O)(=O)CCCCl)CCC(F)(F)F	882127480	NVZNZMYEAPIZBI-UHFFFAOYSA-N	324.796	1.809	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNC(=O)c2cccnn2)s1	882060074	PEZHEWXEOIBESU-UHFFFAOYSA-N	305.363	1.305	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](C)CNC(=O)OC(C)(C)C	887148944	CNOFKLPTXUYTGT-LLVKDONJSA-N	311.382	1.098	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(Cn3cccn3)o2)n1	780772455	NZLMRZOTUIRMEL-UHFFFAOYSA-N	313.317	1.685	50	20	DDGD	
COc1ccncc1NC(=O)C(=O)NNc1cccnc1Cl	784843248	GSEGFMZBSWMSHU-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
COC[C@@H](C)OC(=O)/C(C#N)=C\c1ccc(C(=O)OC)cn1	899339631	SDSPQXSAWHQRDA-GWHHBTOMSA-N	304.302	1.353	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@H]2N(C)CCCC2(C)C)n1	790886905	UWHCCSQBRJTZHY-LLVKDONJSA-N	322.413	1.232	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)Nc1cncc(F)c1	799235798	MXVFRYIAOOUJQM-UHFFFAOYSA-N	318.308	1.712	50	20	DDGD	
Cc1onc(-c2cccnc2)c1C(=O)NNC(=O)C1CCCC1	795185086	LPTRKAIURZXKCX-UHFFFAOYSA-N	314.345	1.996	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1	790514710	VBQPHHGAVKTBLE-UHFFFAOYSA-N	310.310	1.266	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2ccccc2CC#N)o1	794589123	JOWQFEQSSDHSMV-UHFFFAOYSA-N	319.342	1.277	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)[C@@H]1C[C@H]1C1CC1	795177191	JXFAOMNMJOXMSS-NWDGAFQWSA-N	323.418	1.426	50	20	DDGD	
Cc1cc(C)n([C@H](C)CC(=O)NNC(=O)NCC(F)(F)F)n1	798314549	QGHPJDMPLQNFFO-SECBINFHSA-N	321.303	1.344	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2ccc(Cl)c(F)c2)n1	1320011439	AKNXUQLSJHJJAU-UHFFFAOYSA-N	322.727	1.991	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	1325226675	QHPNELHROGUGFS-QWHCGFSZSA-N	302.403	1.565	50	20	DDGD	
CCCN(CCC)CCCC(=O)NNC(=S)NC(C)C	1321635469	YOHCCBZBYUZWRG-UHFFFAOYSA-N	302.488	1.792	50	20	DDGD	
CCC(=O)N1CCC(=NNC(=O)CCN2CCC(C)CC2)CC1	1322152588	CJEXWSOQMMAVHM-UHFFFAOYSA-N	322.453	1.613	50	20	DDGD	
CC1(CCNC(=O)C(=O)NC[C@]2(C)C[C@@H]2Br)CC1	1329538987	JIBODAJJOBOAPK-ZANVPECISA-N	317.227	1.583	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)c2cccc(F)n2)c(C2CC2)n1	1328860017	WIENNEXMKAJCFF-UHFFFAOYSA-N	315.308	1.271	50	20	DDGD	
Cc1cc(C)n2ncc(C(=O)NNC(=O)CC(C)(C)C)c2n1	1321530568	KOGCWGUPQAJVOS-UHFFFAOYSA-N	303.366	1.543	50	20	DDGD	
O=C(NCCc1ccccc1Cl)NNC(=O)C1CCNCC1	1331451843	ZVCJEUWBUJQESC-UHFFFAOYSA-N	324.812	1.213	50	20	DDGD	
CN(CC(=O)NNc1nncc(N)c1Cl)CC(C)(C)C	1331961199	VSAUQTZTTAKBBK-UHFFFAOYSA-N	300.794	1.133	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2CCCC[C@H]2CN)cc1	1261377041	GNSKTPCULDBASQ-JSGCOSHPSA-N	320.393	1.157	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1c(C)ccnc1O	1341980004	MWWHLKZCXRXFPI-UHFFFAOYSA-N	301.302	1.639	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccc(-c2ccccc2)nc1O	1347708696	FQRFMYXHUMHECG-UHFFFAOYSA-N	310.317	1.340	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C1CCOCC1)c1ccc(F)c(F)c1	1353030302	OGBCOTALLDHGMT-VIFPVBQESA-N	312.316	1.642	50	20	DDGD	
CC1(C)[C@@H]2CC[C@@]1(C(=O)NNc1ncc(Cl)cn1)C(=O)C2	1521748480	XKDMXLWHBDMXOA-CLAHSXSESA-N	308.769	1.969	50	20	DDGD	
O=C(/C=C/c1ccncn1)NNc1cccc(C(=O)O)c1F	1608289652	ZRENLIBREAMIPQ-SNAWJCMRSA-N	302.265	1.470	50	20	DDGD	
C[C@H](C(=O)N(c1nc(CC(=O)O)cs1)N(C)C)c1ccco1	1603138359	LQFOIZUSCWSXNJ-VIFPVBQESA-N	323.374	1.977	50	20	DDGD	
C[C@H]1CC[C@H](C)N1CC(=O)NNc1ccc(F)c(C(=O)O)c1	1609846849	VMVVKRYQSDNZOO-UWVGGRQHSA-N	309.341	1.840	50	20	DDGD	
C[C@@H]1CNCC[C@@H]1NC(=O)NNc1ccc(C(=O)O)cc1F	1609878565	PLXFRHNZFJMJMI-KCJUWKMLSA-N	310.329	1.148	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1cccc(Br)c1	1602072066	MLROUZXOLOYTAZ-UHFFFAOYSA-N	300.112	1.167	50	20	DDGD	
O=C(NNc1ccccc1F)c1cscc1-c1nn[nH]n1	1609559501	KUROPCHLCASKSA-UHFFFAOYSA-N	304.310	1.824	50	20	DDGD	
O=C(O)c1cc(C(=O)NNc2ccc(C(F)(F)F)cn2)[nH]n1	1605815894	XGFNHMJKQLNAKX-UHFFFAOYSA-N	315.211	1.279	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)[C@@H]1CCN1C1CCCC1	1608948152	BNDGWCKIQYAGEF-AWEZNQCLSA-N	303.362	1.845	50	20	DDGD	
Cc1cc(Br)cnc1NNC(=O)[C@H](C)CC(=O)O	1600073752	SOEPOUBSKUNRQE-SSDOTTSWSA-N	316.155	1.706	50	20	DDGD	
Cc1c(NNC(=O)NCCOC2CCC2)cccc1C(=O)O	1600053719	QHOZCHLCALFZAU-UHFFFAOYSA-N	307.350	1.888	50	20	DDGD	
Cc1ccc(NNC(=O)c2ccc(C(N)=O)o2)cc1C(=O)O	1600462002	RZFSQYONVSCRLM-UHFFFAOYSA-N	303.274	1.142	50	20	DDGD	
COc1cc(NC(=O)NNc2ncccn2)ccc1C(=O)O	1607178491	RTAKYQNSTRJTPH-UHFFFAOYSA-N	303.278	1.332	50	20	DDGD	
O=C(C[C@H]1C[C@H]2CC[C@H]1O2)NNc1ccc(F)c(C(=O)O)c1	1601250248	NSYWFTTUKLXJSJ-ZDSQKVDBSA-N	308.309	1.925	50	20	DDGD	
Cc1ccc([C@H](NS(=O)(=O)CCCCl)C(=O)O)cc1C	1600384829	LSZDNBOZWYMLPH-LBPRGKRZSA-N	319.810	1.977	50	20	DDGD	
O=C(O)COCC(=O)NN(Cc1ccccc1)c1ccccc1	1602078200	IUPQNTWBGDMRRS-UHFFFAOYSA-N	314.341	1.826	50	20	DDGD	
Cc1nn(-c2ccc(F)cc2F)c(C)c1C=NNC(=O)C(=O)O	1610567638	KSOCJQZXGASQPU-UHFFFAOYSA-N	322.271	1.302	50	20	DDGD	
CC(CC1CCOCC1)=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549316896	ITRNUNOYDAILEZ-GJZGRUSLSA-N	309.410	1.158	50	20	DDGD	
O=C(NCC1=CCNCC1)NNc1ccc(C(=O)O)cc1F	1610692443	NWCKURHLZISPKW-UHFFFAOYSA-N	308.313	1.070	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCC[C@@](C)(C(=O)O)C2)cn1	1610600937	CVDCEUCIILUWAX-NYXMJBRJSA-N	302.334	1.040	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(F)c(C(=O)O)c1F	1610018711	KFHZNPLDKGSUDH-UHFFFAOYSA-N	303.221	1.446	50	20	DDGD	
CC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)O	1801957745	NUPVXFMDQLICBG-SVNGYHJRSA-N	302.802	1.023	50	20	DDGD	
CO[C@@H]1C[C@H](c2nnc3cnccn23)N(C[C@H]2[C@@H](Cl)[C@@H]2C)C1	1550634266	SNIXBVGGWORCBA-SKENRDBWSA-N	321.812	1.759	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@@H]1c1nccn1C)c1ncc[nH]1	1550695795	FVWAJBJIZBBQFQ-NEPJUHHUSA-N	316.365	1.151	50	20	DDGD	
COC[C@]1(C(=O)NNc2nc3ccccc3n2C)CCCCN1	1578976563	BMYWKRNBKYKARX-INIZCTEOSA-N	317.393	1.175	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H](N)c2c(F)cccc2F)n1	1579589786	COTDJWRLMOQRHD-GFCCVEGCSA-N	307.304	1.515	50	20	DDGD	
CNNC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O	1578744810	NGWUFQYZUWQSAN-UHFFFAOYSA-N	323.352	1.968	50	20	DDGD	
Cc1cc(F)c2c(c1)N[C@H](C(=O)NNc1ccc(C#N)cn1)C2	1579612167	YOWBOEPZROSUAR-AWEZNQCLSA-N	311.320	1.881	50	20	DDGD	
N#C[C@@H]1CNCC12CC(C(=O)NNc1ccc(F)c(F)c1)C2	1580042970	FVSDEALLZQPYPC-KGXJWFGYSA-N	306.316	1.547	50	20	DDGD	
COCc1csc(C(=O)NNc2ccc(C(=O)O)cn2)c1	1599300019	NKSZWDMGELYOIP-UHFFFAOYSA-N	307.331	1.745	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@]1(C(=O)O)CC=CCC1	1594418370	YGZMTHCBZPIWJT-MRXNPFEDSA-N	317.345	1.959	50	20	DDGD	
COc1nccc(C(=O)NNc2ccc(C(=O)O)c(F)c2)n1	1599734284	DKWSQGYYPNOOQM-UHFFFAOYSA-N	306.253	1.079	50	20	DDGD	
Cc1nn(C)c(NC(=O)NNc2ncccc2C(=O)O)c1Cl	1594483285	LKJBNCAMGIELRX-UHFFFAOYSA-N	324.728	1.624	50	20	DDGD	
COc1cc(CNC[C@@H]2[C@@H](C)[C@H]2Cl)ccc1-c1nn[nH]n1	1591535898	GXIKUYPMPRGEEI-XTWCZFFVSA-N	307.785	1.838	50	20	DDGD	
O=C(NNc1ccc(F)cn1)c1ccsc1-c1nn[nH]n1	1593164182	WUBWRCCLJKEVTC-UHFFFAOYSA-N	305.298	1.219	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc(C(=O)O)c(OC)c1	1776129441	JDZSCMJOBBZJIX-WQLSENKSSA-N	318.329	1.453	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NN=Cc1ccc(O)c(C(=O)O)c1	1776098633	RPVVZMIVZBYMSM-LBPRGKRZSA-N	319.361	1.413	50	20	DDGD	
C[C@@H](Oc1cccc(C=NNC(=O)c2cc[nH]n2)c1)C(=O)O	1776091905	MZEJEBBSPFEDCB-SECBINFHSA-N	302.290	1.026	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C\c1cccn2c(C(=O)O)cnc12	1776129755	VKICKORSMMQUKD-WQLSENKSSA-N	312.329	1.856	50	20	DDGD	
COc1ccc(-c2n[nH]cc2/C=C(/C#N)S(C)(=O)=O)cc1	12369269	KQIAXQAYDHHQQF-QPEQYQDCSA-N	303.343	1.994	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccccc2-n2cccc2)cn1	17363586	XEUNZSBMDWHTFF-UHFFFAOYSA-N	309.329	1.286	50	20	DDGD	
Cc1ccc(NC(=O)NNc2ncccn2)cc1C(=O)N(C)C	161866351	HAPKEIYYACFKHH-UHFFFAOYSA-N	314.349	1.635	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CC2(O)CCCC2)cc1	160419912	WQZMTXNZGGVZHW-UHFFFAOYSA-N	320.389	1.470	50	20	DDGD	
CS[C@@H](C)CC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	163113035	AQLGHSQTINFALJ-JTQLQIEISA-N	318.402	1.979	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1O	164298692	QCINLZBCRLTOAI-UHFFFAOYSA-N	318.245	1.966	50	20	DDGD	
Cn1c(=O)oc2c(C(=O)NNc3cccc(C#N)c3)cccc21	152647516	NOGBQMHADJCNCO-UHFFFAOYSA-N	308.297	1.760	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)c3ccnnc3)cc2C1	153759605	WMNXROQYHDNTBU-VIFPVBQESA-N	316.386	1.738	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)C1=NO[C@H](c2ccccc2)C1	156317425	FFJKDBXIYTZPMT-NSHDSACASA-N	323.316	1.314	50	20	DDGD	
CCN(C)C(=O)CNS(=O)(=O)c1ccc(CCCl)cc1	229510405	OHEPMRBMMDPCDR-UHFFFAOYSA-N	318.826	1.225	50	20	DDGD	
O=S(=O)(CCCCCl)Nc1ccccc1-n1cnnn1	184763401	IUYXBBGIJRAJPL-UHFFFAOYSA-N	315.786	1.423	50	20	DDGD	
ICCN1CCN(c2ccccn2)CC1	190810518	WGUTVXGLLGNDQI-UHFFFAOYSA-N	317.174	1.639	50	20	DDGD	
O=C(NN=C1CCCc2ccccc21)[C@@H]1CCS(=O)(=O)C1	7324393	BAAVIEQHSXDSKW-GFCCVEGCSA-N	306.387	1.278	50	20	DDGD	
CC(C)N(C)CCNC(=O)NNc1ccc(C(C)(C)C)nn1	118481121	FQDULBFMSBWOHI-UHFFFAOYSA-N	308.430	1.740	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@H](C(C)C)N(C)C)c1ccccc1	110963233	OVBZYKRXKIDJSB-CABCVRRESA-N	305.422	1.914	50	20	DDGD	
CCS(=O)(=O)CCNC(=O)NNc1ccccc1Cl	69875374	PNKNYKRFHOZJJR-UHFFFAOYSA-N	305.787	1.401	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2cccc(C(N)=O)c2)nn1	118524069	XVBLPKCOYKUNLV-UHFFFAOYSA-N	313.361	1.630	50	20	DDGD	
CN(C)[C@@H]1CCC[C@@H](NC(=O)NNc2ccc(Cl)nn2)C1	176628444	GPPMLMCACFVSEN-NXEZZACHSA-N	312.805	1.629	50	20	DDGD	
COc1cc(/C=C(\C#N)C(=O)NCC(C)C)cc([N+](=O)[O-])c1O	28625638	NTZJYLBXTVPCBY-NYYWCZLTSA-N	319.317	1.988	50	20	DDGD	
O=C(NCCc1ccc([N+](=O)[O-])cc1)NNc1ccccn1	65511359	ZENRKUFBBMQNDN-UHFFFAOYSA-N	301.306	1.859	50	20	DDGD	
CSCCNC(=S)NNC(=O)/C=C/c1cccs1	179545222	BNDXGZRPVWDRQM-SNAWJCMRSA-N	301.462	1.620	50	20	DDGD	
COC(=O)c1c(C)[nH]c(C(=O)NNc2nccnc2Cl)c1C	114895683	UKVFXSWUSDQMEH-UHFFFAOYSA-N	323.740	1.618	50	20	DDGD	
O=C(CNC(=O)c1cc(F)cc(F)c1)NNc1ccccc1	111554082	NVHKORAOKNFGRA-UHFFFAOYSA-N	305.284	1.838	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccc(C)[nH]c1=O)c1ccccc1	110341518	GXSIXHHZVNQXNP-ZDUSSCGKSA-N	313.357	1.638	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cccc(C(N)=O)c2)o1	176858276	NOCAOJOLCSTCTI-UHFFFAOYSA-N	302.290	1.153	50	20	DDGD	
CN(C)Cc1cccc(C(=O)NNC(=O)Cc2ccncc2)c1	176772686	QQFYMPPRDPAQOU-UHFFFAOYSA-N	312.373	1.147	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCC2CC2)c2c(C)noc2n1	65192731	FYBWLXGKSSYSOS-UHFFFAOYSA-N	303.322	1.194	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C(C)(Cl)Cl	181877341	RQUPXSQDHLTGJU-UHFFFAOYSA-N	320.176	1.448	50	20	DDGD	
CC(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1cc2ccccc2o1	177728565	NDLDIQRAGSBIGO-GFCCVEGCSA-N	315.329	1.205	50	20	DDGD	
CC(=O)N(CCc1ccccc1)CC(=O)NNc1cnccn1	121032423	PQCJKRSGADAHOS-UHFFFAOYSA-N	313.361	1.011	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)C1CC1	68015511	PGEYNWUOCXLJGZ-SNVBAGLBSA-N	324.402	1.287	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)NCc1ccncc1	61794068	HBIOAPZACODICU-UHFFFAOYSA-N	314.345	1.381	50	20	DDGD	
C[C@@H](CC(=O)NNc1ncc(F)cn1)NC(=O)C1CCCCC1	123381139	MVDPHEGDAAMUOD-JTQLQIEISA-N	323.372	1.534	50	20	DDGD	
O=C(CCCNC(=O)C1CC1)NNc1ccc2ccccc2n1	181091914	NAFQRMXRGMTAPI-UHFFFAOYSA-N	312.373	1.984	50	20	DDGD	
O=C(NNc1c(F)cccc1F)N[C@H]1CCc2[nH]ncc2C1	122097932	XCWCMJVTYCMNAX-VIFPVBQESA-N	307.304	1.872	50	20	DDGD	
O=C(NCCC1=CCCCCC1)NNC(=O)C(=O)N1CCCC1	185259414	TUKPRKSHPCSXJC-UHFFFAOYSA-N	322.409	1.220	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnn(-c2ccccc2)c1C	129654911	KEZFVCIKNLHKPW-UHFFFAOYSA-N	315.377	1.925	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)c1cccc2ncccc12	127220877	YKNRANRIIDSIAH-LLVKDONJSA-N	301.346	1.811	50	20	DDGD	
C[C@@H](C1CC1)N(C)CC(=O)NNC(=O)c1ccccc1Cl	72581872	VYFDWJSQNWIONC-JTQLQIEISA-N	309.797	1.831	50	20	DDGD	
CCc1onc(C)c1NC(=O)C(=O)NNc1cccc(F)c1	120936091	HKTHOLYNJCHXJT-UHFFFAOYSA-N	306.297	1.766	50	20	DDGD	
C[S@](=O)Cc1ccccc1NC(=O)NNC(=O)C(C)(C)C	184312528	SCJATYVRKJRFCV-NRFANRHFSA-N	311.407	1.764	50	20	DDGD	
CC(C)C1CCC(NC(=O)NNC(=O)C(=O)N2CCCC2)CC1	121306911	QDNOCZSYSTZLHY-UHFFFAOYSA-N	324.425	1.154	50	20	DDGD	
N#Cc1ccnc(SCC(=O)NNC(=O)c2ccccc2)c1	71918234	KKEZJPYZVXCGRJ-UHFFFAOYSA-N	312.354	1.507	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C(=O)NNc2cccnn2)c1C	77029243	KLEXQJWSLJADAQ-UHFFFAOYSA-N	303.322	1.355	50	20	DDGD	
CSCC[C@H](C)N(C)[C@@H](C)C(=O)NNC(=O)CC(C)C	126457835	OYCHNIRESBAMSU-RYUDHWBXSA-N	303.472	1.642	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNc2nnc(C3CC3)s2)C1	184467974	QPYOZAGTLRIDQN-VIFPVBQESA-N	309.395	1.117	50	20	DDGD	
O=C(/C=C/c1ccc[nH]1)NNC(=O)CSc1ccccc1O	188666387	RCGDFJGHHFKUPM-BQYQJAHWSA-N	317.370	1.673	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1ccc(-c2cc[nH]n2)cc1	185270542	QOUGRKXZRIOYPB-UHFFFAOYSA-N	324.344	1.882	50	20	DDGD	
O=C(CC1CCC1)NNC(=O)C(=O)NCc1ccc(Cl)cc1	180521021	YWQLNRNQXFTMIJ-UHFFFAOYSA-N	323.780	1.294	50	20	DDGD	
COc1ccnc(NNC(=O)NCCc2ccc(F)c(F)c2)n1	190370362	CVYSJZNNUMYBAA-UHFFFAOYSA-N	323.303	1.632	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2cccnc2)on1)c1ccncc1	192456425	XTCRHCJCDYEJNJ-UHFFFAOYSA-N	309.285	1.206	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccc([S@@](C)=O)cc2)nn1	80199302	MNSSVGHXSYGVJQ-QFIPXVFZSA-N	319.390	1.349	50	20	DDGD	
CNC(=O)/C(C#N)=C/c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1	194574099	DQBHVYPLLXTEDT-YRNVUSSQSA-N	311.301	1.648	50	20	DDGD	
CC(=O)c1cc(C(=O)NNc2ncnc3nc[nH]c23)ccc1C	193080000	YJADSOYHEDZKRI-UHFFFAOYSA-N	310.317	1.621	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc2ncccc2c1	91821676	KDMPUQVHFFQROJ-UHFFFAOYSA-N	320.443	1.707	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNc1nc(-c2ccccc2)no1	92442913	JTZXBMOYCAXNJT-UHFFFAOYSA-N	312.333	1.789	50	20	DDGD	
COc1cc(C=NNC(=O)c2cccnc2)cc(OC)c1O	254506829	HSRSQVRNKBKCJP-UHFFFAOYSA-N	301.302	1.568	50	20	DDGD	
COc1cc(CCNC(=O)NNC(=O)C2CCC2)ccc1C	265941625	HFKMFQFEUJVNES-UHFFFAOYSA-N	305.378	1.677	50	20	DDGD	
C[C@@H]1CCCCN1CC(=O)NNC(=O)c1ccccc1Cl	263893984	VOWWRVLNGAWCNM-LLVKDONJSA-N	309.797	1.975	50	20	DDGD	
C[C@H]1CC[C@@H](CC(=O)NNC(=O)CNC(=O)c2cccs2)C1	268253293	HZBOWLBKOHFGAX-WDEREUQCSA-N	323.418	1.452	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	368149106	MYSJTGCDGQKOOA-HEHGZKQESA-N	318.373	1.287	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnn(-c2ccc(F)cc2)c1C	272664680	ILHZJBBXFPZPSC-UHFFFAOYSA-N	319.340	1.626	50	20	DDGD	
CC(=O)c1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)cc1C	273664706	GYIYNVZEDVSLOZ-UHFFFAOYSA-N	319.361	1.330	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2nc(O)nc(O)c2N)cc1	272995660	NRYQXKQGCSZQKK-UHFFFAOYSA-N	317.349	1.524	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@](C)(CC(=O)OC)c1ccncc1	275285101	NPLQLDMLECDFBN-PCUGXKRQSA-N	317.345	1.420	50	20	DDGD	
COc1nccnc1NNC(=O)CSC[C@@H]1CCCCO1	274076043	KXJNBIYISHAYHT-JTQLQIEISA-N	312.395	1.231	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNC(=O)C(C)(C)c1ccccc1	275727570	SHRXZTRITRAIJM-UHFFFAOYSA-N	306.362	1.453	50	20	DDGD	
CCONC(=O)NNC(=O)[C@@H](C)Oc1ccc(OCC)cc1	275142676	QJVMQIFAOKJLOU-SNVBAGLBSA-N	311.338	1.135	50	20	DDGD	
CSSCCNC(=O)N1CCO[C@H]([C@@H]2CCCO2)C1	375152278	PXJRVTILAALJTJ-QWRGUYRKSA-N	306.453	1.587	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1ccnc(O[C@H]2CCOC2)c1	286589625	NYXSGROOZIVABV-NSHDSACASA-N	318.308	1.540	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)c2cccn2C)c1F	285149924	XNZIOCKXUASFOH-UHFFFAOYSA-N	319.336	1.567	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CCCCN1C(=O)c1ccco1	285778353	AQAZTOLELOQEHH-JTQLQIEISA-N	309.322	1.004	50	20	DDGD	
CSSCCNC(=O)c1c(C)nn(C)c1-n1cccn1	284115127	OJIMINHDAFVIFC-UHFFFAOYSA-N	311.436	1.655	50	20	DDGD	
CN1Cc2ccccc2[C@H](NS(=O)(=O)CBr)C1	370082319	OBDPOIIKMZJEFK-LLVKDONJSA-N	319.224	1.445	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)COCc2ccccc2)O1	281865646	KMWULOHXJUESPO-JMSVASOKSA-N	306.362	1.164	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@@](C)(O)C2CC2)o1	286095507	UDQPESKKZAXKMR-INIZCTEOSA-N	323.393	1.043	50	20	DDGD	
Cn1ncc2c1C[C@H](C(=O)NNC(=O)c1ccccc1F)CC2	280899704	CJKQCPCGUGKYBG-SNVBAGLBSA-N	316.336	1.125	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccncc1C(F)(F)F	285160626	SKUKAWQONLHOFE-UHFFFAOYSA-N	320.271	1.081	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCCCS2)cc1	282332350	ABSXZOUSIHZIAB-LBPRGKRZSA-N	321.402	1.367	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCC2=CCCOC2)c1	288064854	SVPVSFAKXKUCLF-UHFFFAOYSA-N	319.361	1.051	50	20	DDGD	
COCCOc1ccccc1CNC(=O)NNC(=O)CC(C)C	299082575	YBEDVYQMNYIIHQ-UHFFFAOYSA-N	323.393	1.588	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)COc1cc(C)ccc1C	294387507	OLMLUDZISIEKEB-CYBMUJFWSA-N	308.378	1.645	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)C(F)(F)F)cc1	801105897	NEFKQHUSPGRLPT-MRVPVSSYSA-N	317.267	1.279	50	20	DDGD	
CN1[C@H]2CC[C@H]1CC(NC(=O)NNc1ncc(F)cc1F)C2	297703266	YHHIHADOTZLBKM-QWRGUYRKSA-N	311.336	1.611	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)/C=C\c1cnn(C)c1	805381912	XAGQZUFUPFFYKP-UTCJRWHESA-N	301.306	1.793	50	20	DDGD	
O=C(CCOCc1ccccc1)NNC(=O)[C@H]1CCCCO1	295668640	WRVDCZBBKMWEHX-CQSZACIVSA-N	306.362	1.310	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)CNc1ccccc1C(N)=O	809769477	MMDLHODOCPIQEN-UHFFFAOYSA-N	316.336	1.788	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)[C@H]2CCCCO2)sc1C	296674557	HHLNCZYDFHZDRW-SNVBAGLBSA-N	318.420	1.244	50	20	DDGD	
COCc1ncsc1C(=O)NNc1cnc2ccccc2n1	803108790	IAXDPOPBQNUZOT-UHFFFAOYSA-N	315.358	1.990	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)c2cc([N+](=O)[O-])ccc2O)nn1	807973410	BUEWQRURHURGDU-UHFFFAOYSA-N	318.293	1.237	50	20	DDGD	
CCCCN(C)C[C@@H](C)NC(=O)NNc1nc2ccccn2n1	291670293	KJTLOVJZHJFVAC-GFCCVEGCSA-N	319.413	1.476	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)[C@H](C)Oc1ccccc1F)C(C)C	298065342	UPFILXHJMINHEM-WCQYABFASA-N	321.352	1.581	50	20	DDGD	
CC[S@@](=O)CC(=O)NNc1ccc([N+](=O)[O-])cc1Cl	295487984	QAFIMCCZKWXFQP-LJQANCHMSA-N	305.743	1.460	50	20	DDGD	
C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)/C(C#N)=C\c1ccc(F)cc1	293324827	FRPCMMGLZIFFAA-NARDUAKYSA-N	322.361	1.282	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)COC1CCCC1	298764344	ZRABTCWPJBGQHA-UHFFFAOYSA-N	321.377	1.214	50	20	DDGD	
Cc1cc(F)cc(NC(=O)C(=O)NNc2cccc(F)n2)c1	807392806	KHKJXYYCDRIOLA-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
O=C(NNc1ncncc1F)C(=O)c1ccc2c(c1)CCC2	817081778	CKNQCKIZWRBIDO-UHFFFAOYSA-N	300.293	1.430	50	20	DDGD	
CCNC(=O)NNC(=O)c1c(C)cccc1Br	813424224	IIVVQIZCSIJCAW-UHFFFAOYSA-N	300.156	1.721	50	20	DDGD	
Cc1c(C(=O)NN(C)C2CC2)cnn1CCO[C@@H]1CCCCO1	819650623	UOXLDZSYYXABIV-OAHLLOKOSA-N	322.409	1.474	50	20	DDGD	
CC(Cc1ccc(O)cc1)=NNC(=O)Cn1nc(C)cc1C	814752405	LDNIRCQCPNJRID-UHFFFAOYSA-N	300.362	1.940	50	20	DDGD	
O=C(Cc1ccncc1)NN=Cc1ccccc1-n1cncn1	814862699	QFUGSAYDFNQFFJ-UHFFFAOYSA-N	306.329	1.355	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1nnc2ccccc2n1	811461835	QTEPTSSYFUEROD-UHFFFAOYSA-N	317.312	1.725	50	20	DDGD	
O=C(NN=C1CCCc2sccc21)C(=O)Nc1ccccn1	814869096	BTWZUVGPWSALAG-UHFFFAOYSA-N	314.370	1.938	50	20	DDGD	
O=C(NN=C1COc2ccccc21)c1ccc(-n2cnnn2)cc1	814756410	NUHJEOQGJWYHFX-UHFFFAOYSA-N	320.312	1.189	50	20	DDGD	
CCCc1[nH]ccc1C(=O)NNC(=O)COc1ccc(F)cc1	817513385	PKXUGUXCNDOWBD-UHFFFAOYSA-N	319.336	1.946	50	20	DDGD	
O=S(=O)(CBr)NCCCCCN1CCCC1	815070029	JKOFAKUZYPWXAO-UHFFFAOYSA-N	313.261	1.524	50	20	DDGD	
O=C(NNC(=O)c1cc(F)c[nH]1)c1cccc(OC(F)F)c1	815385158	RLLAMHLHGFIFMU-UHFFFAOYSA-N	313.235	1.830	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1nc2c(s1)CCC2(C)C	817318966	FTULYSXKVYMWGF-UHFFFAOYSA-N	312.395	1.556	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cc(C(=O)O)c(C)cc1C	814864592	GHNXFZOKENDJJY-LBPRGKRZSA-N	322.361	1.503	50	20	DDGD	
CCOc1ccc2c(c1)C(=NNC(=O)Cc1cc[nH]n1)CCO2	814957904	WHPGOYMUVGJJAV-UHFFFAOYSA-N	314.345	1.654	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)CC1)c1cc(Cl)ccc1O	814776595	COZUHUMYIPXLEU-UHFFFAOYSA-N	316.766	1.340	50	20	DDGD	
O=C(NCc1cccc2c1OCO2)NNc1ncncc1F	814280339	CNDMOVZTSBHZOQ-UHFFFAOYSA-N	305.269	1.171	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)CN1CCCC1	821405434	CGTMBNAOUXMMBL-UHFFFAOYSA-N	323.418	1.031	50	20	DDGD	
CCN(C(C)=O)c1ccc(NC(=O)NNC(=O)C2CCC2)cn1	824582182	XXFBBQOMCLXIGO-UHFFFAOYSA-N	319.365	1.407	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNc1cccc(S(C)(=O)=O)c1	820646074	DERZFSDXVHGYDQ-LLVKDONJSA-N	309.391	1.518	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCOc2ccccc2C1	827308146	YMYQQPQEFCCIEE-AAEUAGOBSA-N	319.361	1.047	50	20	DDGD	
CCCc1c(C(=O)NN(CC)CCO)cnn1C1CCCC1	823873427	AVLKYJXVGVJYPX-UHFFFAOYSA-N	308.426	1.910	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1	824010088	IAXLBDBGKBLOQM-UHFFFAOYSA-N	311.305	1.154	50	20	DDGD	
COCCOc1ncccc1C(=O)NNC(=O)CC(C)(C)C	728606459	JONDSPWMDGFSIV-UHFFFAOYSA-N	309.366	1.304	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)NNc1cccc(F)n1)C2	496327307	PQOOPIWDJMMYLC-AXFHLTTASA-N	320.324	1.307	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1ccc2c(c1)OC(F)(F)O2	491048882	LRCOZCMFWYYQPW-UXBLZVDNSA-N	310.256	1.678	50	20	DDGD	
CC(=NNC(=O)CCNC(=O)OC(C)(C)C)c1ncccn1	496970637	XOHIUFNHFSMNGJ-UHFFFAOYSA-N	307.354	1.232	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)NCCc2cccs2)no1	822785878	GPDLWPRVKMFOQO-UHFFFAOYSA-N	322.390	1.875	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NNC(=O)OCC	496589541	GQHGWHVOXBNDAX-JTQLQIEISA-N	317.386	1.799	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1cccc2nccn12	494725831	KLYVXJBYSVEIIP-UHFFFAOYSA-N	317.349	1.309	50	20	DDGD	
COCCCC[C@H](NCc1ccc(B(O)O)o1)c1ccccc1	585039116	OOHPGDCIFJTCIF-INIZCTEOSA-N	317.194	1.607	50	20	DDGD	
CN1C(=O)CCC[C@H]1C(=O)NNc1ccc(C(F)(F)F)cn1	907477711	RFLNBDBXRPNYRR-VIFPVBQESA-N	316.283	1.554	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@]2(C)C[C@H]2Br)n1	907892026	JXNOXDFDYUACEP-BXKDBHETSA-N	312.167	1.325	50	20	DDGD	
CN(CC(=O)N1CCCC1)C(=O)[C@]1(C)C[C@H]1Br	905504720	MEEKBTQDLWBQOD-BXKDBHETSA-N	303.200	1.241	50	20	DDGD	
O=C(NNc1cccc2c1CCCC2)c1cc(-c2nn[nH]n2)c[nH]1	826449418	RKONOEDYLFNBTP-UHFFFAOYSA-N	323.360	1.831	50	20	DDGD	
Cc1cc(C=NNC(=O)NCCNC(=O)OC(C)(C)C)c(C)[nH]1	491498211	FCULZFXYRAPQNI-UHFFFAOYSA-N	323.397	1.789	50	20	DDGD	
O=C(NCB(O)O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1	585055845	KDXHVZHKAYSPOT-UHFFFAOYSA-N	316.078	1.129	50	20	DDGD	
C[C@]1(C(=O)NCC2(C(N)=O)CCCC2)C[C@H]1Br	906708333	BHINXDOWACTCQC-KCJUWKMLSA-N	303.200	1.322	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1coc2ccccc12	901936025	DECFFJULFBIPCV-ZJUUUORDSA-N	324.358	1.167	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21	829003660	WCFQWFFLHSUECQ-NVRFYQKYSA-N	302.403	1.691	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=O)Cc2ccccc2OC)CC1	825531387	ZWNLPRRTOGCFMV-UHFFFAOYSA-N	304.346	1.144	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNc1ccc(C(=O)OC)cc1F	822243219	NMMRMLHKRZPSLJ-NXEZZACHSA-N	324.308	1.255	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)cc1	908051180	JPKZXBLENFYFBY-KGYLQXTDSA-N	303.318	1.073	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(C(=O)OC)cc1F	905016173	RPJIHCKAQXGZIG-FYTLYHSASA-N	320.320	1.670	50	20	DDGD	
CN(C)CC(=O)NN=C1CC2(C1)CN(C(=O)OC(C)(C)C)C2	496711423	BUIHSOOXGCFYFO-UHFFFAOYSA-N	310.398	1.051	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NOCC1CCC1	824032989	YLZNTGKFMHKGFV-UHFFFAOYSA-N	307.350	1.300	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(OC)cc(-n2cccn2)c1	492585970	GOVQYPZGKMTKDW-UHFFFAOYSA-N	319.321	1.664	50	20	DDGD	
C[C@H](CNC(=O)/C(C#N)=C/c1cnn(C)c1)N(C)c1ccccc1	491045345	DWQWERWGGVUVRG-BRYYZUPOSA-N	323.400	1.968	50	20	DDGD	
CC[C@@H](NCc1ccc(B(O)O)cc1)[C@H](O)c1ccccc1F	585026414	GSRUHPGBZJYYST-IAGOWNOFSA-N	317.169	1.107	50	20	DDGD	
Cc1nc2ccnn2c(C)c1CCC(=O)NNC(=O)C1CCC1	732142957	NRVMMHNRLVRPIP-UHFFFAOYSA-N	315.377	1.226	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2cc(O)cs2)c1	731861956	UTCVZBZQDBFDOM-UHFFFAOYSA-N	305.359	1.595	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1	823951321	JXSGUNVSMCJWTD-JTQLQIEISA-N	315.377	1.307	50	20	DDGD	
CN(NC(=O)Nc1ccc(N2CCOCC2)c(F)c1)C1CC1	824167652	RJBGXJHVZPTIIC-UHFFFAOYSA-N	308.357	1.793	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)/C=C\c2ccc[nH]2)c1	491957166	BTLZTPKHPVIYGZ-FPLPWBNLSA-N	305.359	1.575	50	20	DDGD	
Cc1cccc(NNC(=O)COCCNC(=O)OC(C)(C)C)c1	732574888	FZROEUKYPWFSCQ-UHFFFAOYSA-N	323.393	1.979	50	20	DDGD	
CC[C@H](C(=O)Nc1cccc(B(O)O)c1)c1c(C)noc1C	584909844	JBNVSCKMJVVKIR-ZDUSSCGKSA-N	302.139	1.104	50	20	DDGD	
CC(C)(C)C1=CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1	584968480	XOOUTZJIXYKHAH-UHFFFAOYSA-N	305.158	1.324	50	20	DDGD	
C#CCCCC(=O)NN=Cc1cccc(O[C@@H](C)C(=O)O)c1	901324041	FZMZOTPRYIVOGX-LBPRGKRZSA-N	302.330	1.792	50	20	DDGD	
CN(Cc1nnc2n1CCC2)C(=O)[C@@]1(C)C[C@@H]1Br	905848852	AOLUABAHXJSVOC-UFBFGSQYSA-N	313.199	1.356	50	20	DDGD	
O=C(COC(=O)/C=C/C1CCCC1)NNC(=O)c1cccs1	830799870	ZHOBUKFZSIEBTF-BQYQJAHWSA-N	322.386	1.799	50	20	DDGD	
O=C(COCc1cccc(Cl)c1)NNC(=O)CC(F)(F)F	839557067	UMTPCUVIQGCOPU-UHFFFAOYSA-N	324.686	1.956	50	20	DDGD	
C[S@](=O)Cc1cccc(C(=O)NNc2nccnc2Cl)c1	734261237	GVKWANHTKFUIAP-NRFANRHFSA-N	324.793	1.765	50	20	DDGD	
O=C(NCC(Cl)Cl)[C@H]1CC(=O)N(c2ccccc2)C1	837650745	JKXUSJXHHXSFKD-VIFPVBQESA-N	301.173	1.959	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C(C)(C)OC(C)=O)c1F	837061869	UPRDYTPMFDWBAW-UHFFFAOYSA-N	312.297	1.397	50	20	DDGD	
CC[C@@H]1CCC[C@@H](NC(=O)NNC(=O)N=c2cc[nH]cc2)C1	836319456	BAFLACVZMNYNHO-DGCLKSJQSA-N	305.382	1.808	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccc2c(c1)OCCCCO2	834933048	LAICXZPUQUNTGT-UHFFFAOYSA-N	319.361	1.213	50	20	DDGD	
C[C@]1(C(=O)NNc2nc(-c3cccnc3)no2)CCCCO1	837408851	SDXBQKPPUODJAV-CQSZACIVSA-N	303.322	1.534	50	20	DDGD	
C[C@H](CSc1ccc(F)cc1)C(=O)N1CC[C@@H](B(O)O)C1	585065618	HXVKPHLVFGDORA-GHMZBOCLSA-N	311.187	1.629	50	20	DDGD	
CN(C)C(=O)NN=Cc1cnc2ccc(Br)cn12	735972302	WCIZBPUDZLIYKI-UHFFFAOYSA-N	310.155	1.702	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21	908032076	HERAYLFUPRRDJB-UPZJHPNMSA-N	306.293	1.281	50	20	DDGD	
O=C(NCCCCc1ccccc1)NNC(=O)[C@H]1CCCCO1	836190737	DAIYJOWMRQHAOI-OAHLLOKOSA-N	319.405	1.909	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)[C@H]1CCCCO1)c1ccccc1	836216900	FFXTUSDPNDOUJP-CQSZACIVSA-N	319.405	1.864	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)[C@@H](C)CN2CCCCCC2)n1	834934506	NHSFWUYJAZYPTC-ZDUSSCGKSA-N	320.441	1.569	50	20	DDGD	
C#CCCCC(=O)NN[C@@H](Cc1ccc(F)cc1)C(=O)OC	901643884	KRWYCCRHUAVGQH-AWEZNQCLSA-N	306.337	1.334	50	20	DDGD	
Cn1c(=NNC(=O)NC[C@]2(C)CCOC2)sc2ccccc21	733351815	HCNPQIZRJZUTTJ-HNNXBMFYSA-N	320.418	1.781	50	20	DDGD	
O=C(O)Nc1ccc(C(=O)NNc2ccc(Cl)nn2)cc1	738659758	DDAQLVCPNUGURK-UHFFFAOYSA-N	307.697	1.977	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Cc2ccc(-n3cccc3)cc2)cn1	735444736	SKVZNHLIGAFLRW-UHFFFAOYSA-N	323.356	1.215	50	20	DDGD	
O=C(N[C@H]1CCCc2sccc21)c1ccc(B(O)O)c(F)c1	584976997	VHZDRXRFFUFSJF-ZDUSSCGKSA-N	319.166	1.374	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCC[C@@H](Nc2ccccc2)C1	584966348	XVYKXXGJIJIESC-QGZVFWFLSA-N	324.189	1.083	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1	836781255	ODLUGTSWLHMYDP-QWHCGFSZSA-N	314.345	1.454	50	20	DDGD	
O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CC[C@H](B(O)O)C1	585068723	GHFGADYFELAFLQ-VIFPVBQESA-N	319.557	1.419	50	20	DDGD	
CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1ccc(B(O)O)cc1	584980334	WQCWDPYEMCEECZ-LLVKDONJSA-N	315.100	1.169	50	20	DDGD	
N#CCSCC(=O)NNC(=O)Cc1cccc2ccccc12	915144281	JKNBFNIYMYTQIT-UHFFFAOYSA-N	313.382	1.786	50	20	DDGD	
CCOc1ccc(NNC(=O)NC2COC(C)(C)OC2)cc1	838553612	UUSZJOCZSMVPBG-UHFFFAOYSA-N	309.366	1.863	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@@H]1C[C@H]1c1c(F)cccc1F	734867628	RURMGXWFZKLOPQ-BXKDBHETSA-N	309.316	1.951	50	20	DDGD	
C[C@H]1C[C@@H](C)CN([C@H]2CCCCC2=NNC(=O)NCC(=O)O)C1	833591388	LNHZGRVGAXKSMP-SCRDCRAPSA-N	324.425	1.647	50	20	DDGD	
CSCCCNC(=S)NNC(=O)CCc1ccccc1	749766571	DXDHQTUKJBOMOT-UHFFFAOYSA-N	311.476	1.868	50	20	DDGD	
O=C(NNc1cccnc1Cl)[C@H]1CCCN1c1ncccn1	840480151	REQTYVKDBGNZLF-LLVKDONJSA-N	318.768	1.637	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H]1CCCCN1C(=O)c1ccccc1	910172957	HOYXLQLIIAAQHR-ZFWWWQNUSA-N	319.405	1.025	50	20	DDGD	
Cc1cc(Br)c(C(=O)NN(C)C[C@@H](C)O)s1	910148657	FAEMFLKULANHIE-ZCFIWIBFSA-N	307.213	1.776	50	20	DDGD	
NCC(F)(F)CNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	846678183	RMHMJOYNWLMKFN-OYNCUSHFSA-N	311.170	1.650	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNc1ccc(OC(F)F)cc1	845857235	VCZOZFMIPOXANI-UHFFFAOYSA-N	315.320	1.893	50	20	DDGD	
CC[C@H](Cc1ccccc1)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843652816	VBMPBYJLJSJXHF-BPLDGKMQSA-N	304.390	1.828	50	20	DDGD	
Cc1ccsc1S(=O)(=O)NNC(=O)c1ccccc1O	741646553	FOURPVUSJLFBBE-UHFFFAOYSA-N	312.372	1.385	50	20	DDGD	
COCC1CCC(NC(=O)NNc2nc(C)cc(C)n2)CC1	840443540	CFWHEFHAXOKRGE-UHFFFAOYSA-N	307.398	1.925	50	20	DDGD	
C#CCCOc1ccc(C=NNC(=O)[C@H]2CCO[C@@H]2C)cc1	842552798	CLWCLRRAZCLYCB-CJNGLKHVSA-N	300.358	1.964	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CNC(=O)c2ccccc2)n1	747981318	BZRYFSRBKBTJEA-UHFFFAOYSA-N	319.752	1.312	50	20	DDGD	
O=C(NNC(=O)c1cccc2cccnc12)NNc1ccccn1	747463399	IXWGRXJCZDEVLX-UHFFFAOYSA-N	322.328	1.601	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2csc3cncn23)c(O)c1	749190142	HTVGTPIOFPGEMK-UHFFFAOYSA-N	316.342	1.485	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNC(=O)[C@H]1CCO[C@H]1C	843980975	YYPMVSXSFNWJSU-ZHAHWJHGSA-N	308.382	1.093	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1cn2cc(Cl)ccc2n1	842557417	QJOZIBIYLBXQIL-SKDRFNHKSA-N	306.753	1.863	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C\c1cc(F)c(OC)cc1OC	844275433	WYOQOQZMMPEOOE-CGYDICSFSA-N	322.336	1.901	50	20	DDGD	
COC(=O)c1ccc(O)c(C=NNC(=O)[C@@H]2CCO[C@@H]2C)c1	842554650	KHKDHNWSLPKABQ-BXKDBHETSA-N	306.318	1.054	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNC(=O)c1c[nH]c2ccccc12	841376927	ATLLXKQUBQNVPO-AWEZNQCLSA-N	303.362	1.990	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1	749216452	QXOWXUZBVHTKIE-CQSZACIVSA-N	319.409	1.032	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCCNc1ncnc2sccc12	912248939	FQDUHWRFSPDWSB-NTMALXAHSA-N	317.374	1.663	50	20	DDGD	
CCN(CC)CCC(=O)NNC(=S)Nc1ccccc1OC	916126492	AWYUUWBMESBEBI-UHFFFAOYSA-N	324.450	1.745	50	20	DDGD	
COc1nc2sccn2c1C=NNC(=O)c1ccncc1	744526139	MLNYVVTWIDAIQE-UHFFFAOYSA-N	301.331	1.563	50	20	DDGD	
C[C@H](CCN)NC(=O)NNC(=O)Cc1cccc2ccccc12	841968493	YMKGYTROFLYTGU-GFCCVEGCSA-N	314.389	1.450	50	20	DDGD	
CC(=O)NCCCCCC(=O)NNc1oc(C(C)C)nc1C#N	746298967	MGARPRUKWJRNNN-UHFFFAOYSA-N	321.381	1.809	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCC1=CCNCC1)c1ccccc1	841972938	JYFRTWWOGXSCSP-OAHLLOKOSA-N	316.405	1.430	50	20	DDGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(F)c(S(N)(=O)=O)c1	840715729	CUZLQRJBOCAAQG-VKRGWIQLSA-N	310.350	1.995	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)C1	843753072	JLLMHACDBRDIHU-RQYMUSGFSA-N	304.390	1.719	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)[C@H]1CCc2nnnn2CC1	845854519	ITUCOLNYLAHDLY-QMMMGPOBSA-N	308.292	1.047	50	20	DDGD	
COC1(C(=O)NNC(=O)c2ccc3ccccc3n2)CCCC1	754174157	PKWVTEBPLFBRAV-UHFFFAOYSA-N	313.357	1.955	50	20	DDGD	
CSSCCNC(=O)N1[C@@H](C)[C@@H](C)N(C)C(=O)[C@H]1C	922390256	PTGRJBVYJYIISZ-KXUCPTDWSA-N	305.469	1.647	50	20	DDGD	
CN1CCCC(=NNC(=O)Nc2ccc(C(=O)O)cc2)CC1	758117061	IWLBMLVKOKBFSW-UHFFFAOYSA-N	304.350	1.978	50	20	DDGD	
CNC(=O)C1(C(=O)OC[C@H](CBr)C2CC2)CC1	859547315	FONJVUBIFXERFX-VIFPVBQESA-N	304.184	1.477	50	20	DDGD	
CC(C)(C)OCCCNC(=O)NNC(=O)[C@@H]1CCCCO1	852551790	XLEZNJQCHHOPTD-NSHDSACASA-N	301.387	1.091	50	20	DDGD	
CO[C@H](C=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1)C1CC1	853281111	NTZBVHPIANUCFV-UKTARXLSSA-N	311.426	1.259	50	20	DDGD	
COC1(C(=O)NNC(=O)COc2cc(C)cc(C)c2)CCCC1	754652891	TURGTRBDILMMDW-UHFFFAOYSA-N	320.389	1.789	50	20	DDGD	
Cc1cccc(-c2n[nH]cc2C=NNC(=O)c2cnccn2)c1	755632374	OMOPALDBPGMELE-UHFFFAOYSA-N	306.329	1.939	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C/c1cc2c(cc1[N+](=O)[O-])OCCO2	920386599	AIWPMTXSMLJSHG-XCVCLJGOSA-N	323.268	1.533	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@H](O)c1ccccc1Cl	855000299	FTDXYFUOZARKJR-SECBINFHSA-N	310.659	1.473	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2cccc(C(N)=O)c2)c(C)c1	755579009	JOZMDRQAZXGVRQ-UHFFFAOYSA-N	324.384	1.965	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)Cc3ncc[nH]3)cc2C1	854239973	FOCXAVAYMIJZEZ-SECBINFHSA-N	318.402	1.600	50	20	DDGD	
CCn1cnc(C(=O)NNc2cccc(C(=O)OC)c2C)c1	855624414	NBDJLZUEHRKOPK-UHFFFAOYSA-N	302.334	1.755	50	20	DDGD	
N#Cc1ccc(F)c(C(=O)NNC(=S)NCC2CCC2)c1	855093697	XSFJZMPMKOBMIV-UHFFFAOYSA-N	306.366	1.606	50	20	DDGD	
CCN1CCC(=NNC(=O)c2cccc(C(=O)O)c2)[C@@H](C)C1	853425454	FIZINEJHXBVYHM-NSHDSACASA-N	303.362	1.832	50	20	DDGD	
CC(C)(CO)CCNC(=O)NC[C@@]1(C)C[C@H]1Br	856959795	XQNDFYPRTQFFJN-BXKDBHETSA-N	307.232	1.868	50	20	DDGD	
CC[C@H]1COCC1=NNC(=O)Cc1nc2ccccc2n1C	853271140	ZRALRGPZQRACIE-NSHDSACASA-N	300.362	1.644	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@]3(CCNC3)C2)C[C@H]1Br	857106116	YTDWNDZQSDWSOC-RTXFEEFZSA-N	316.243	1.555	50	20	DDGD	
C[C@@H](C=NNC(=O)Cc1cc(O)nc(O)n1)c1ccc(F)cc1	756895075	GNLZLYWVNGNRNP-VIFPVBQESA-N	318.308	1.475	50	20	DDGD	
Cc1ncc(S(=O)(=O)NC[C@]2(C)C[C@H]2Br)n1C	859234034	KSRGWYISHVLKPM-SCZZXKLOSA-N	322.228	1.180	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc2nccn2c1)C1CC1	855100355	ACCWUDKKJIDHNU-VIFPVBQESA-N	303.391	1.242	50	20	DDGD	
O=C(Cc1cccc(F)c1F)NNC(=O)OCC(F)(F)F	856021047	DMRAXBBCEGZXHW-UHFFFAOYSA-N	312.194	1.827	50	20	DDGD	
O=C(NNc1cc(F)cc(Cl)c1)[C@@H]1CCc2nnnn2CC1	855620754	ARIDROMKXUDQHG-MRVPVSSYSA-N	324.747	1.561	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1cc(Cl)cc2c1OCC2	758440582	DZTRHLKBDJANQS-UHFFFAOYSA-N	311.769	1.510	50	20	DDGD	
CCN(CC)C[C@@H](C)NC(=O)NNC(=O)c1ccccc1C	921121760	PTXUISXDTTYNTQ-CYBMUJFWSA-N	306.410	1.669	50	20	DDGD	
COc1ccc(OC)c(CCCNC(=O)NNC(=O)C(C)C)c1	758940348	UPUFOYJWGDENGV-UHFFFAOYSA-N	323.393	1.623	50	20	DDGD	
COc1ccc(NNC(=O)Cc2ccc(O)c(OC)c2)nc1	857491199	YLQGNMNPBYEKBP-UHFFFAOYSA-N	303.318	1.490	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)NC(=O)NNC(=O)c1cccc(F)n1	852108240	YBRVPBNXCCQNSV-SSDOTTSWSA-N	321.312	1.531	50	20	DDGD	
COc1cc(OC)c(NC(=O)NNC(=O)c2ccc[nH]2)cc1F	757629471	NIMXXKYKPBCTPL-UHFFFAOYSA-N	322.296	1.638	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)Cc2ccncc2)c(C)n1	757683531	RHHLPFDJUVKVKU-UHFFFAOYSA-N	315.333	1.189	50	20	DDGD	
CO[C@@]1(C)C[C@H]1NC(=O)NNC(=O)Cn1ccc2ccccc21	852068046	KNPCHTHWYVBKQF-CJNGLKHVSA-N	316.361	1.149	50	20	DDGD	
Cc1nc(N2CCOCC2)sc1C(=O)NN=C[C@@H]1C[C@@H]1C	758364998	JFAASIFQGCGDCB-ONGXEEELSA-N	308.407	1.660	50	20	DDGD	
CCCNC(=O)CCCC(=O)NC[C@@]1(C)C[C@@H]1Br	857404867	ZZXRHUHKDKYWRR-GXFFZTMASA-N	319.243	1.973	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](CC(C)C)C(N)=O)c1C	855623664	LMPPKKRQLPKPHU-LBPRGKRZSA-N	321.377	1.372	50	20	DDGD	
Cc1cc(C(=O)NN=c2cc[nH]cc2Cl)c2c(C)n[nH]c2n1	757422466	WSLRGXQIMSADNQ-UHFFFAOYSA-N	316.752	1.802	50	20	DDGD	
COc1cc(Cl)cc(C=NNC(=O)c2c[nH]nc2C)c1O	758879921	SFQZBGPGJSMZPX-UHFFFAOYSA-N	308.725	1.850	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cccnc2)ccc1[N+](=O)[O-]	751281709	USXBAQOSFHKNEI-UHFFFAOYSA-N	316.273	1.073	50	20	DDGD	
CC(=O)N[C@@](C)(C(=O)NNc1nccnc1C(C)C)C(C)C	935678046	ABPXESWPYSBOMG-OAHLLOKOSA-N	307.398	1.594	50	20	DDGD	
CNC(=S)N(C)NC(=O)COc1ccc(F)c(Cl)c1	854926759	KNOZPSWESMXSNC-UHFFFAOYSA-N	305.762	1.325	50	20	DDGD	
CCn1c(NNC(=O)[C@]2(C)CCOC2)nc2ccccc2c1=O	754951753	OEUGIPCPARCLLT-MRXNPFEDSA-N	316.361	1.286	50	20	DDGD	
Cc1cccc(C2(C(=O)NNC(=O)Cc3cc[nH]n3)CCC2)c1	755283977	HSLZGYXISPYOBT-UHFFFAOYSA-N	312.373	1.530	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc(F)c(C(=O)O)c1	863178627	YUCSKJMTPZOWMG-XFFZJAGNSA-N	306.293	1.584	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1[N+](=O)[O-])c1cn(C2CC2)nn1	861887084	NQPAJEYSBKXSKW-UHFFFAOYSA-N	322.712	1.932	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H](C)c2c(C)nn(C)c2C)c1	862477539	LIOCZSCAHMLUJG-VIFPVBQESA-N	320.418	1.972	50	20	DDGD	
Cc1cccc(NNC(=O)CCCNC(=O)c2cccnc2)n1	862522202	MWARRXQSTYJFBQ-UHFFFAOYSA-N	313.361	1.438	50	20	DDGD	
CC[C@@](C)(NC(=O)NNC(=O)Cc1ccncc1)C(F)(F)F	933515564	IWZKRTMVPQLKJD-GFCCVEGCSA-N	318.299	1.686	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccc(C(F)(F)F)s1	761786976	UNEBMGASXVOTAH-UHFFFAOYSA-N	307.297	1.742	50	20	DDGD	
COC(=O)C[C@@H](NS(=O)(=O)CC(C)(C)CCl)C1CC1	866941635	JQIYSGXIXWXWQT-SNVBAGLBSA-N	311.831	1.513	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNC(=O)c1cc(C)cs1	862476249	NLIVLLSZLGAXMP-UHFFFAOYSA-N	311.407	1.514	50	20	DDGD	
C[C@@H](O)CN(CC(F)F)S(=O)(=O)CC(C)(C)CCl	867361165	NJAVOHSLEQVQJJ-MRVPVSSYSA-N	307.790	1.529	50	20	DDGD	
COc1ccc(OCC(=O)NN=C2CCS(=O)CC2)cc1	761801782	PPSDYBCJRQEEQS-UHFFFAOYSA-N	310.375	1.089	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@H]1CCCN1C1CC1	863099840	MKPPUIRVNZDMHO-MRVPVSSYSA-N	301.259	1.432	50	20	DDGD	
C[C@H]1CC[C@H](C)N1CC(=O)NNCC(F)(F)C(F)(F)F	863095136	IMNNEUIYNBNEJW-YUMQZZPRSA-N	303.275	1.678	50	20	DDGD	
CC(C)O[C@@H](C(=O)NNC(=O)c1cn[nH]c1)c1ccccc1	862469170	AKYVQQQFPMHPBS-CYBMUJFWSA-N	302.334	1.337	50	20	DDGD	
COc1ccccc1SCC(=O)NN=Cc1ccnn1C	761272156	SSNPKNLEJQBNBS-UHFFFAOYSA-N	304.375	1.671	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1O	863861317	QRNUYJFAUDDJEY-DNJQJEMRSA-N	322.361	1.221	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@@H](c1ccccc1)n1cccn1	760907759	YNZHMITYUHUBLE-CYBMUJFWSA-N	312.308	1.545	50	20	DDGD	
COCC(=O)NN=Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	872356830	FBJILOSNVIUYHC-UHFFFAOYSA-N	305.212	1.710	50	20	DDGD	
COc1cccc(C[C@H](O)C(=O)NNc2ncncc2Cl)c1	1116716978	GSFBHYBEWUFLHI-LBPRGKRZSA-N	322.752	1.185	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNC(=O)C2CCCC2)c(F)c1	873803886	YDCROOWMKSTYPM-UHFFFAOYSA-N	323.324	1.110	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=CC1CCN(C)CC1	872329469	OABKHBVGAZMQDD-UHFFFAOYSA-N	319.405	1.908	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(F)c(F)c1F	772189189	XKAFYGHMMJIQGS-ZCFIWIBFSA-N	318.251	1.207	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ccc(F)cc2)nc1Cl	773749884	CZHBHKUWLLABJC-UHFFFAOYSA-N	308.700	1.730	50	20	DDGD	
Cc1cc(=NNC(=O)NCc2cccnc2OC(C)C)cc[nH]1	875082251	OMSYOQORUVQYME-UHFFFAOYSA-N	315.377	1.820	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C2CCOCC2)c(OC)c1	877948333	SWZXXXZTOABGTE-UHFFFAOYSA-N	323.349	1.283	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H]2CC[C@@H](C)C2)c1	776429372	UVFUYNKLDFTRNW-TZMCWYRMSA-N	318.373	1.735	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@H]1CC[C@@H](C)C1	776337206	XQPAFQVZLJQPCT-NEPJUHHUSA-N	306.362	1.658	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cccc([N+](=O)[O-])c1	874104499	GHBLMTDSSHVUSS-UHFFFAOYSA-N	305.319	1.706	50	20	DDGD	
COC[C@@H](OC)C(=O)NNC(=S)Nc1cc(C)ccc1C	873757507	BXNJBNNJZVHDPW-GFCCVEGCSA-N	311.407	1.282	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN[C@@H]2CCCC[C@@H]2C)c1	771793233	KERCETCMSCVXKN-DZGCQCFKSA-N	303.406	1.924	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1F)C1(C(=O)NC2CC2)CC1	871271866	BXZXKFFHBRTILN-UHFFFAOYSA-N	311.744	1.981	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874953055	QOICTSKKZZHNSK-CYBMUJFWSA-N	324.450	1.885	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@H]1CC1(Cl)Cl	871595825	RROUOVSENLRNLG-SSDOTTSWSA-N	314.238	1.054	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCSC1)c1nc2ccccc2s1	874913510	NJTKMONCYFICRM-MRVPVSSYSA-N	307.400	1.810	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)c2cn[nH]c2)Cc2ccccc21	1118810401	HZLJOZUIBBDUEC-UHFFFAOYSA-N	313.361	1.558	50	20	DDGD	
COc1ccc(Br)cc1C(=O)NN(C)C(N)=O	778417937	ZHURNPJNDPUKAR-UHFFFAOYSA-N	302.128	1.113	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)COc2ccc(F)cc2)c(C)c1	779865382	LYFLQIVMSIXYEW-UHFFFAOYSA-N	317.320	1.678	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc(S(C)(=O)=O)c1)c1ccc[nH]1	776629976	ZOUKDQYLLBIXBZ-SNVBAGLBSA-N	322.390	1.806	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)n(C)n1	873808635	QELKWAFGZYSZDU-UHFFFAOYSA-N	320.780	1.640	50	20	DDGD	
CN1C(=O)CCc2cc(C=NNC(=O)c3ccccn3)ccc21	774303648	YOIOMVPYJHZVDH-UHFFFAOYSA-N	308.341	1.755	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCO[C@H](C(C)C)C1	778662909	WAYKUUYZURAZRT-AWEZNQCLSA-N	321.377	1.406	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(C)c(C(=O)OC)c2)n(C)n1	880078673	MWTGJGQKNDXYRG-UHFFFAOYSA-N	316.361	1.834	50	20	DDGD	
CC(C)c1ocnc1C(=O)NNc1cccc(S(C)(=O)=O)c1	776531163	VMWQLBIVNHWASV-UHFFFAOYSA-N	323.374	1.958	50	20	DDGD	
COC1(CO)CCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)CC1	773933309	CYVHUKINDHMBAU-PJQLUOCWSA-N	317.345	1.933	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H]1COc2ccccc2[C@@H]1O	882201506	UDQQOKSKZMBVAZ-PWSUYJOCSA-N	305.783	1.029	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(F)ccc1F	788893558	FWVDTFOHJUIWOI-SSDOTTSWSA-N	300.261	1.068	50	20	DDGD	
O=C(NN=Cc1cc(Cl)cc2c1OCC2)C(=O)N1CCCC1	782903965	REROSJOXIBXZSJ-UHFFFAOYSA-N	321.764	1.347	50	20	DDGD	
COCC[C@H](NC(=O)NNC(=O)CC(F)(F)F)c1ccco1	780882285	FFBNXPAWFKSKBY-QMMMGPOBSA-N	323.271	1.640	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)NC[C@@H]1C=CCC1	883460748	FPGYBODORPJASI-CYBMUJFWSA-N	303.362	1.752	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CN(CC)C(=O)OC(C)(C)C	887144378	LCCGXUGBYYEJNC-UHFFFAOYSA-N	311.382	1.194	50	20	DDGD	
CC(C)(C)OC(=O)CCNC(=O)NNc1ncncc1Cl	780998988	HUBRHINXLCFMPB-UHFFFAOYSA-N	315.761	1.488	50	20	DDGD	
Cc1cc(CC(=O)NN=CC[C@H]2CCCCC23OCCO3)n[nH]1	788709131	GXRUNVJHKOZHMU-CYBMUJFWSA-N	320.393	1.686	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1cccc(CSC)c1	783016301	XPXWFAYOCLRYOY-UHFFFAOYSA-N	311.407	1.417	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N(C)C)c(OCC2CC2)c1	788500551	CKOBUIDSPYWQMQ-UHFFFAOYSA-N	307.350	1.400	50	20	DDGD	
COCCn1ccc(C(=O)NNc2ccccc2C(=O)OC)n1	784462614	XOJKMXSSWIZQQI-UHFFFAOYSA-N	318.333	1.073	50	20	DDGD	
CC(C)(C#N)CNC(=O)NNC(=O)C(C)(C)c1ccccc1	781953103	BDODYWRLEFWBRN-UHFFFAOYSA-N	302.378	1.844	50	20	DDGD	
COc1cccc(NNC(=O)c2cc3c(nc2O)CCC3)n1	780771623	ZIEAMCVZMMXSQZ-UHFFFAOYSA-N	300.318	1.436	50	20	DDGD	
Cc1nc(NC(=O)NNC(=S)N[C@@H](C)c2ccccc2)no1	781109487	BHRGXBXTRISGMG-QMMMGPOBSA-N	320.378	1.640	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1cnn(-c2ccc(Cl)cc2)n1	780754897	IJQOSGGMBWYQQH-UHFFFAOYSA-N	314.736	1.495	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CC(C)(C)C#N)cc1OC	781846424	KYPDBYMIBDXAHQ-UHFFFAOYSA-N	305.334	1.405	50	20	DDGD	
COc1ccc(NNC(=O)c2cccc([S@@](C)=O)c2)nc1	781527951	YDRYTUWJWZHORO-OAQYLSRUSA-N	305.359	1.585	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1	780833603	FKBSAIFHZBPICO-WCQYABFASA-N	320.393	1.582	50	20	DDGD	
COCCn1cc(C(=O)NNc2cc(F)cc(OC)c2)c(C)n1	782754502	JGIMYGRCTRHBMY-UHFFFAOYSA-N	322.340	1.743	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CSc2nc(C)co2)c1	790284079	NKEAHUDDHSUOLA-UHFFFAOYSA-N	305.359	1.845	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1ncc(CN(C)C)s1	794690643	KCBXIDDJYOHOGO-XYOKQWHBSA-N	322.434	1.654	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NC[C@H](CO)[C@@H]1CCOC1	797761831	HGLQVLXLWZYZMF-GMTAPVOTSA-N	322.243	1.557	50	20	DDGD	
NC(=O)c1ccc(CC(=O)NNc2ccccc2[N+](=O)[O-])cc1	792572032	PLJKITKIZSOTNA-UHFFFAOYSA-N	314.301	1.380	50	20	DDGD	
CCc1ccccc1OCCC(=O)NNC(=O)NCC1CC1	795586762	GYTBHMVEOQERIH-UHFFFAOYSA-N	305.378	1.758	50	20	DDGD	
O=C(NNC(=O)c1ccnn1-c1ccccc1)c1ccncc1	792005644	PJSJIIGJOYVKOX-UHFFFAOYSA-N	307.313	1.342	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cc(C(F)(F)F)cc(Cl)n1	798151133	ALQYYXOTMOGLPL-UHFFFAOYSA-N	307.659	1.925	50	20	DDGD	
COc1ccccc1CC(=O)NN=C(C)c1ccc(O)nn1	790157709	ORIJWGBLFPJCHB-UHFFFAOYSA-N	300.318	1.274	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc(C#N)o2)c2ccccc21	794193578	JRSMUNODKYKLTD-UHFFFAOYSA-N	308.297	1.718	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ccc3nccnc3c2)c1Cl	1319220813	WHPYQZMUEXHUIM-UHFFFAOYSA-N	315.724	1.412	50	20	DDGD	
COC(=O)C(=O)NN=C[C@@H](C)c1cccc(Br)c1	1318966487	UHXDZHPPRIBPEI-MRVPVSSYSA-N	313.151	1.828	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCNc2ccccc2)nc1	1323065717	BNLYYTBYHLRQGB-UHFFFAOYSA-N	314.345	1.814	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@@]2(F)CCOC2)cc1	1326074904	MDZWZTZVQIDHOK-CQSZACIVSA-N	310.329	1.034	50	20	DDGD	
COc1c(C(=O)NNc2cccnn2)cnn1-c1ccccc1	1320662451	ZNOUSFGQVOKUMS-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cnn(C)c2C2CC2)cc1	1322148529	OSYQKULVMNFFAF-UHFFFAOYSA-N	314.345	1.381	50	20	DDGD	
CNC[C@H](C)CNC(=O)NNC(=O)Nc1cc(F)cc(F)c1	1325681509	SDVXZAWEDPIIEM-QMMMGPOBSA-N	315.324	1.156	50	20	DDGD	
Cn1ccc(NNC(=O)c2cccc(OC[C@H]3CCCO3)c2)n1	1324864274	GLWMKRZOLLRQPT-CQSZACIVSA-N	316.361	1.735	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCCN2C2CC2)cc1	1324814826	LSWZCSSHXFRJGU-CQSZACIVSA-N	303.362	1.083	50	20	DDGD	
Cc1cc(C)n2ncc(C(=O)NNc3ncccc3F)c2n1	1322418764	DFFFORYKWHNIPP-UHFFFAOYSA-N	300.297	1.637	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)C(=O)NNC(=O)Nc1ccccc1	1322746601	OVQFZGDGMUFQQC-UHFFFAOYSA-N	315.333	1.073	50	20	DDGD	
NC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ccccc1Cl	1326131590	BCEQBKFPLBMPAU-GWCFXTLKSA-N	324.812	1.802	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2CCOC(C)(C)C2)cc1	1320414030	XPTJHZAVNXBNMZ-GFCCVEGCSA-N	321.377	1.597	50	20	DDGD	
C[S@@](=O)c1ccc(NC(=O)NNc2ncc(F)cn2)cc1	1325785761	MIVWOBOYXVMQKY-OAQYLSRUSA-N	309.326	1.502	50	20	DDGD	
C=C[C@H](COC)NC(=O)NNc1ccc(C(=O)OC)c(F)c1	1325480116	KWRNMSALZLYCDI-SECBINFHSA-N	311.313	1.439	50	20	DDGD	
COc1nccnc1NNC(=O)C(C)(C)Oc1ccccc1	1321163815	RXPRWAAGMHKWPH-UHFFFAOYSA-N	302.334	1.786	50	20	DDGD	
O=C(Cc1cc(Cl)cc(Cl)c1)N1CC[C@H](B(O)O)C1	585065766	GAVRNHIVJXRKSH-VIFPVBQESA-N	301.966	1.611	50	20	DDGD	
CCC[C@H](CNC(=O)NNC(=O)c1ccc(OC)cc1)OC	1330855033	WTVYFZRAXKOQHW-CYBMUJFWSA-N	309.366	1.454	50	20	DDGD	
C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NNC(=O)c1cn[nH]c1	1332649049	AKONMGWTLGQKRS-QMTHXVAHSA-N	313.361	1.677	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](C(=O)NC[C@]2(C)C[C@H]2Br)C1	1262789718	PBDCMRFUHBXBDU-SREGZZRCSA-N	304.184	1.475	50	20	DDGD	
C[S@@](=O)c1ccc(C=NNC(=O)N=c2cc[nH]cc2)cc1	1347643792	UUWFAXQCGJPXLO-OAQYLSRUSA-N	302.359	1.397	50	20	DDGD	
CSC(C)(C)CNC(=O)NNc1nncc(N)c1Cl	1340526414	IRAKZWCUIHXFBZ-UHFFFAOYSA-N	304.807	1.480	50	20	DDGD	
Cn1cncc1C1CCN(C(=O)NNC(=O)C(C)(C)C)CC1	1340046989	PLPDPAAILZJCKX-UHFFFAOYSA-N	307.398	1.386	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1ccc(C(C)(C)C)nn1	1341035772	FZJIITMINMSARR-UHFFFAOYSA-N	323.397	1.744	50	20	DDGD	
COCCn1cc(C(=O)OC[C@]2(C)C[C@@H]2Br)nn1	1345220236	PPFJLYTUFURRSO-ONGXEEELSA-N	318.171	1.255	50	20	DDGD	
Cc1cc(=NNC(=O)NCCc2ccc(N(C)C)cc2)cc[nH]1	1349273083	JMQSWNKKLUEPBT-UHFFFAOYSA-N	313.405	1.747	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccc(OC2CCOCC2)cc1	1351214869	FZGRZGZBMJKMRK-UHFFFAOYSA-N	317.349	1.130	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@@H](C)[C@H]1CN(C)CCN1C	1528131519	YDKKEWUAGSSDOX-GXTWGEPZSA-N	323.416	1.395	50	20	DDGD	
O=C(O)CC1CC(=NNC(=O)c2cncn2-c2ccccc2)C1	1601939595	DNXCGXUPVUTSKG-UHFFFAOYSA-N	312.329	1.843	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)C(=O)NNc1ccc(C(=O)O)cc1F	1604240362	GRVONIISWNEJLG-VIFPVBQESA-N	320.324	1.579	50	20	DDGD	
O=C(NNc1cccc(Cl)c1)Nc1ccc(C(=O)O)nn1	1601560416	FLYIPLIBUCIVEC-UHFFFAOYSA-N	307.697	1.977	50	20	DDGD	
Cc1cnc(COCC(=O)NNc2ccc(C)c(C(=O)O)c2)o1	1607908354	QLQPOWUVSAHLAN-UHFFFAOYSA-N	319.317	1.650	50	20	DDGD	
O=C(NC[C@@H]1CCSC1)NNc1ccc(F)c(C(=O)O)c1	1601486721	QNHXMNOKHTUFTD-QMMMGPOBSA-N	313.354	1.903	50	20	DDGD	
O=C(NNc1cccc(F)c1)c1ccc(F)c(-c2nn[nH]n2)c1	1606861715	ZIEWUAGXPATUJX-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccccc2C(=O)O)c1C(F)F	1601020879	HIFWRCVJFUFCRB-UHFFFAOYSA-N	310.260	1.813	50	20	DDGD	
Cc1cnccc1CC(=O)NNc1ccc(C(=O)O)c(F)c1	1607912798	QJWJAIKYBWVEBU-UHFFFAOYSA-N	303.293	1.913	50	20	DDGD	
CC[C@@H]1NCC[C@H]1NC(=O)NNc1ccc(C(=O)O)c(F)c1	1605753897	BPIBBZJAFCSWNT-NWDGAFQWSA-N	310.329	1.291	50	20	DDGD	
CCNc1ccccc1C=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549904555	JZEBPDJLTVGCEW-GOEBONIOSA-N	316.405	1.432	50	20	DDGD	
Cc1nc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)sc1C	1550697972	ZBQKLERKKYLGEX-VXGBXAGGSA-N	308.407	1.073	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(C#N)c(Cl)c1)n1cc(N)cn1	1575092457	MZHYEDKPAJGLPZ-UHFFFAOYSA-N	318.768	1.869	50	20	DDGD	
CN[C@@H](CC(C)C)C(=O)NNc1cccc(C(=O)OC)c1C	1578754211	JDAXXOXUZFOYTB-AWEZNQCLSA-N	307.394	1.859	50	20	DDGD	
O=C(NNc1ccc(F)cc1)C1(C2(O)CCNCC2)CCC1	1580739797	OHRKBNWJIBJSRV-UHFFFAOYSA-N	307.369	1.554	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CC[C@H](C)O1)c1ccc(OCC(=O)O)cc1	1589012150	CUJONPRFYXOJIA-HZMBPMFUSA-N	320.345	1.558	50	20	DDGD	
CC(C)(C)OC(=O)C1(C(=O)NNc2cccc(C(=O)O)c2)CC1	1589852567	VOAGSZWMRCNIQF-UHFFFAOYSA-N	320.345	1.950	50	20	DDGD	
NCCCCCC(=O)NNC(=O)CNc1ccccc1Cl	1580292577	DIEPKAQVMCOTFR-UHFFFAOYSA-N	312.801	1.418	50	20	DDGD	
Cn1cc(C=NNC(=O)Nc2ccc(C(=O)O)cc2)c(Cl)n1	1776045770	KAERGENBBANQQL-UHFFFAOYSA-N	321.724	1.927	50	20	DDGD	
CC(=NNC(=O)c1nccs1)c1ccc(CC(=O)O)cc1	1776109474	LDAILHSYOPJUBC-UHFFFAOYSA-N	303.343	1.924	50	20	DDGD	
O=C(NNC(=O)c1ccc(-n2cccc2)cc1)c1ccncc1	15628422	DFZUPEGYMAHYQD-UHFFFAOYSA-N	306.325	1.947	50	20	DDGD	
COc1cn(-c2ccccc2)nc1C(=O)NNC(=O)C(C)C	15727295	NRAYZPUQKNNFDE-UHFFFAOYSA-N	302.334	1.298	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)C[C@@H]1CSCCS1	161980192	YRKUQULHMKPFIS-LLVKDONJSA-N	302.465	1.953	50	20	DDGD	
CS[C@@H](C)C(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	152284542	FTUKYUBSIJSUKD-ZETCQYMHSA-N	310.404	1.651	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNC(=O)c1ccccc1	152980371	UTMKQIDQHALTBI-JTQLQIEISA-N	300.362	1.981	50	20	DDGD	
Cc1cccc(NNC(=O)c2cn(CC(=O)C(C)(C)C)nn2)c1	157167170	DICJYBQAAIMUDO-UHFFFAOYSA-N	315.377	1.959	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@H]1C=CCCC1	157814169	PLOXPRSIYURLJN-ZDUSSCGKSA-N	303.362	1.677	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC[C@@H]1C(=O)NCc1ccco1	159097123	XJUZYMOICLKAQD-XMXAVACDSA-N	317.345	1.331	50	20	DDGD	
CO[C@]1(CNS(=O)(=O)c2ccc(CCl)cc2)CCOC1	394399805	HMKXBGAJQMXHLM-ZDUSSCGKSA-N	319.810	1.509	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=S)NC1CCCCC1	7352045	PMFSQKKWBDYXDI-UHFFFAOYSA-N	306.435	1.927	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCCc1cccc(F)c1	103506938	LTPYRYAKXYWYMQ-UHFFFAOYSA-N	316.336	1.336	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)CCC2	7889175	MDBWWJGWUANJSJ-UHFFFAOYSA-N	324.336	1.979	50	20	DDGD	
CCCC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1ccccc1	54852227	IYQPJHKXKHGCNX-ZDUSSCGKSA-N	303.362	1.239	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCN(c2cccc(C)c2)CC1	109827401	YSVIVEMZOMZQEH-AWEZNQCLSA-N	318.421	1.063	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1csc(-c2ccoc2)n1	108262060	XBFRTRNYITVXGG-UHFFFAOYSA-N	324.362	1.384	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCc1nnc[nH]1)c1ccccc1	177206743	SVZWMSZRTBEWTH-GFCCVEGCSA-N	301.350	1.079	50	20	DDGD	
COC(=O)C1CCC(NC(=O)NNc2cccc(C#N)c2)CC1	106571996	OHJCANSDQNEQNT-UHFFFAOYSA-N	316.361	1.916	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@@H]1COc2ccccc21	113053175	ZGACIIGLOMWKGP-CYBMUJFWSA-N	314.316	1.692	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccc(C#N)cn2)cc1	107760949	UGMKKBHBJFKBQI-UHFFFAOYSA-N	309.329	1.135	50	20	DDGD	
CCOCC(=O)NNC(=O)c1ccc(Br)cc1	68191885	RJOGNDNVGWVQII-UHFFFAOYSA-N	301.140	1.247	50	20	DDGD	
CSc1ccc(C(=O)NNC(=O)Cc2ccncc2)cc1	175804827	QBVPHCXBSNMYBF-UHFFFAOYSA-N	301.371	1.807	50	20	DDGD	
Cc1cc(C)cc(C(=O)NNC(=O)Cc2cn3ccccc3n2)c1	173896758	PRQGWBRJJYNSPW-UHFFFAOYSA-N	322.368	1.955	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)c1ccc(Cl)cc1F	175829122	JXFIHYXBTLKZGG-GXSJLCMTSA-N	300.717	1.665	50	20	DDGD	
CCNC(=O)c1cccc(CNC(=O)NNc2cccnn2)c1	77348779	ZKJKQGMBQRYAQU-UHFFFAOYSA-N	314.349	1.053	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1cc2ccccc2oc1=O	118501887	GJBDYKDRIUCWOH-UHFFFAOYSA-N	316.704	1.993	50	20	DDGD	
O=S(=O)(NC1CCOCC1)c1ccc(CCCl)cc1	36900421	GLQBUEUCSSMXQL-UHFFFAOYSA-N	303.811	1.925	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@H]1CCN(C2CCCCC2)C1	123169404	NPNQUHZQUDSPOT-NSHDSACASA-N	307.373	1.713	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@@H]2CC=CCC2)c1	73315316	GDNSWWFFJWKJGX-GFCCVEGCSA-N	303.362	1.611	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cc(C(C)C)no2)n1	71096036	YPVCPIDMAOXSPK-UHFFFAOYSA-N	305.338	1.073	50	20	DDGD	
CC(C)OCCC(=O)NNC(=O)c1ccc2ccccc2n1	73520147	WXCWYRPEONOTHD-UHFFFAOYSA-N	301.346	1.811	50	20	DDGD	
CSCC[C@@H](C)NC(=O)NNC(=O)c1cccc(N(C)C)c1	77802749	HSYDIJACMOWPHA-LLVKDONJSA-N	324.450	1.838	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)NC1CCCC1	31026396	VPNZXOBFAVERAY-UHFFFAOYSA-N	300.362	1.983	50	20	DDGD	
COc1cccc(NNC(=O)[C@H](C)Cc2c(C)nn(C)c2C)n1	180684259	UJYHMNWYGSDKER-SNVBAGLBSA-N	317.393	1.762	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)C3(O)CCC3)[nH]n2)cc1	130812651	IGQQYBQBOQZZQM-UHFFFAOYSA-N	314.345	1.061	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cccc(C3OCCO3)c2)n1	130451024	XKPIXHCDNHSJOG-UHFFFAOYSA-N	314.345	1.896	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	133110439	XAIKIMRLCSWILC-QWRGUYRKSA-N	312.341	1.556	50	20	DDGD	
O=C(COCC(F)(F)F)NNC(=O)c1ccc(Cl)nc1	48791876	VNRNAKMRJXOAQD-UHFFFAOYSA-N	311.647	1.075	50	20	DDGD	
O=C(C[C@H]1CCCOC1)NNc1nnc(-c2ccccn2)s1	194319309	SIJOWZKHMMXXFU-SNVBAGLBSA-N	319.390	1.860	50	20	DDGD	
CN1C[C@@H](C(=O)NNc2c(Cl)cccc2Cl)CC1=O	132926093	CWGAYRZRHGNJIY-ZETCQYMHSA-N	302.161	1.915	50	20	DDGD	
O=C(CCCCN1CCOCC1)NNc1ccc(Cl)nn1	192682237	PCCCNCGFMMPDEK-UHFFFAOYSA-N	313.789	1.076	50	20	DDGD	
O=C(CCCNc1ccc([N+](=O)[O-])cc1)NNc1ncccn1	44716316	FVMRNCQCMBCKDJ-UHFFFAOYSA-N	316.321	1.720	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)NC(C)C)[nH]n2)cc1	42839115	INXRYWGYZJTPDN-UHFFFAOYSA-N	301.350	1.738	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)CC(=O)NNC(=O)NCc1ccco1	133130435	SELVTWDIGUPHBI-VIFPVBQESA-N	320.349	1.909	50	20	DDGD	
Cc1nc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)sc1C	193289839	ANBFJFPKNNLMOZ-UHFFFAOYSA-N	312.395	1.282	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Cc2ccc(C#N)cc2)cc1	194834889	JCKAGNHSCCQKLP-UHFFFAOYSA-N	323.352	1.636	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H](C)C(C)(C)CN(C)C)n1	85425158	ITIZHFNSIKSCDQ-JTQLQIEISA-N	310.402	1.088	50	20	DDGD	
O=C(NNc1ccc(F)cc1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O	192784630	YDRHTYFBCGVNSX-ZJUUUORDSA-N	319.258	1.726	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])c(O)c1	255435758	PAKQUZLLJPTYIQ-JTTRITNRSA-N	305.290	1.358	50	20	DDGD	
CNC(=O)NNC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1	263863267	JXWSVWPKCLYFMF-ZCFIWIBFSA-N	306.149	1.721	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)CNc2cccc(OC)c2)O1	268096529	AFQDCHDZXGKMES-GXTWGEPZSA-N	321.377	1.212	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)C2CCC2)nnn1-c1ccccc1	264810928	VQATYYOYZWRWKC-UHFFFAOYSA-N	313.361	1.066	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2cccc(C(F)(F)F)n2)CC1	265875775	ONHYDRUQIJEMEU-UHFFFAOYSA-N	302.256	1.070	50	20	DDGD	
Cc1ccc(Br)cc1C(=O)NNC(=O)NC1CC1	266129608	XVFHKVVUOZRJRR-UHFFFAOYSA-N	312.167	1.864	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H]2CC[C@H](CC)O2)c1	268253733	PXOOHUYSHPDWGD-UONOGXRCSA-N	317.414	1.943	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cccc2c1O[C@H](C)C(=O)N2	264286333	OYDYBEIGGQIAKN-SECBINFHSA-N	305.334	1.213	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccn(-c2ccc(F)cc2)n1	264819583	XEIJSQYUIAYUSX-UHFFFAOYSA-N	302.309	1.573	50	20	DDGD	
O=C(NC[C@@H]1CSCCS1)NNc1cncc(Cl)n1	268088846	IHFUXASVGKOMIP-SSDOTTSWSA-N	319.843	1.605	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@]12CCc1ccccc12)c1ccncc1	266522029	DZJCAZRCWLMSSK-YJBOKZPZSA-N	307.353	1.747	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CCc1nnc(-c2ccccc2)o1	279026092	VOIGDSSXWKOOGB-UHFFFAOYSA-N	316.361	1.863	50	20	DDGD	
CCc1nn(C)c(CC)c1CC(=O)NNc1ncccc1C	276776209	UIKUSPRCCZZACT-UHFFFAOYSA-N	301.394	1.934	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCCCNC(=O)OC(C)(C)C	272685859	BNFWYUNCEUIXQH-VAWYXSNFSA-N	311.382	1.851	50	20	DDGD	
C=C(CBr)CN1C[C@@H](N2CCOCC2)C[C@H]1C	368509232	YUBQOJCRBKORHH-OLZOCXBDSA-N	303.244	1.733	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@H]2CCCN2C2CC2)c1	279722449	MLMJZVNZIQPYDJ-OAHLLOKOSA-N	316.405	1.140	50	20	DDGD	
NNC(=O)/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1	270203301	GTFXGVYCMPACGN-JXMROGBWSA-N	323.418	1.254	50	20	DDGD	
CCc1nn(C)cc1NC(=O)C(=O)NN(C)c1ccccc1	275640286	DRGQVXXKTGMEEG-UHFFFAOYSA-N	301.350	1.089	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCCNC(=O)C2CC2)c1	272809547	KWAQRKRADDRXBV-UHFFFAOYSA-N	319.361	1.223	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc(NC(=O)OC)c1	277212442	ZAQVKWSXUXQUPK-UHFFFAOYSA-N	309.326	1.563	50	20	DDGD	
COCCOc1ccc(NC(=O)NNC(=O)CC2CC2)cn1	273484770	MEKZXVLVXLNGMY-UHFFFAOYSA-N	308.338	1.060	50	20	DDGD	
CC(C)[C@@H](O)C(=O)NNC(=O)Cc1cccc2ccccc12	285365996	HZHJFMVTYADUCZ-MRXNPFEDSA-N	300.358	1.547	50	20	DDGD	
CC1=C(C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)CCCO1	282836270	PELTZIPDHDXJHX-UHFFFAOYSA-N	317.345	1.165	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cccc(N(C)C)c1)C(F)(F)F	288644476	PQCOPCKOYYAXNW-MRVPVSSYSA-N	318.299	1.647	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](C)NC(=O)c1ccc(Cl)cc1	286460669	SYTGVNJEEDQHOP-QMMMGPOBSA-N	313.741	1.188	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(C)(C)c1cc(F)cc(C#N)c1	285910697	VXEUZAFTWZSGAE-UHFFFAOYSA-N	306.341	1.667	50	20	DDGD	
COCCN(C)NC(=O)c1c[nH]nc1-c1cccc(Cl)c1	288639961	XHQDCOCMPHEGRZ-UHFFFAOYSA-N	308.769	1.953	50	20	DDGD	
COCC1(CNC(=O)NNC(=O)c2ccc[nH]2)CCCCC1	291327708	TYUYGBGLKUWUTP-UHFFFAOYSA-N	308.382	1.556	50	20	DDGD	
COc1ccc(CC(=O)NNc2ncccc2F)cc1[N+](=O)[O-]	804217086	SKVNHTXMECTPPR-UHFFFAOYSA-N	320.280	1.823	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)C(C)(C)C2CC2)c1	805702775	COUXFXYIUKIKAA-UHFFFAOYSA-N	318.373	1.735	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c(C(F)(F)F)o1	293901627	LOXZQIDLQOZPCK-RCOVLWMOSA-N	320.267	1.935	50	20	DDGD	
CC(C)(C)[C@H]1C[C@H](NC(=O)NNc2ncncc2F)CCO1	292985328	JOQVITQRSHRDEN-MWLCHTKSSA-N	311.361	1.836	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H]1CCn2ccnc2C1	805378111	NAPNAIOHEPQQTM-LLVKDONJSA-N	315.333	1.805	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)C(C)(F)F)cc1	292701871	QOQAXGBWJLJKGE-VIFPVBQESA-N	313.304	1.372	50	20	DDGD	
COc1cc(CC(=O)NNC(=O)NC2CCCCC2)ccc1O	294464379	UMMACEVYGSRVQF-UHFFFAOYSA-N	321.377	1.606	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NC2CC2)cnn1Cc1ccccc1	299236226	HPOUPTFZABOIJA-UHFFFAOYSA-N	313.361	1.346	50	20	DDGD	
CC(C)(C)n1cnc(C(=O)NNc2ncnc3ccsc23)n1	291900942	LENDXLZPMHBBIX-UHFFFAOYSA-N	317.378	1.795	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@H]1CCC(=O)c2ccccc21	806537499	QRIGWNZULPNKDK-JTQLQIEISA-N	314.263	1.847	50	20	DDGD	
C#Cc1cncc(C(=O)NNc2ccc(C(F)(F)F)nn2)c1	807153614	AHKJFTUQXWNVFL-UHFFFAOYSA-N	307.235	1.629	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)c2cc(Cl)ccc2O)O1	800687909	KEPUALFWIGVGGA-DNSOKLHBSA-N	312.753	1.620	50	20	DDGD	
COCC(=NNC(=O)N1CCOCC1)c1cccc(Cl)c1	814820988	IDUUMUFHNWUWAX-UHFFFAOYSA-N	311.769	1.732	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccncc1Br	817081631	HYAFLAQSKLITPH-UHFFFAOYSA-N	312.102	1.530	50	20	DDGD	
COc1cc(C)cc2c1OCCC2=NNC(=O)Cc1cc[nH]n1	814954125	XXVUUACOQCPVMY-UHFFFAOYSA-N	314.345	1.572	50	20	DDGD	
CN(C)S(=O)(=O)c1cccc(C(=O)NN=C2CC(C)(C)C2)c1	814725082	ORSINGMVGRJQRV-UHFFFAOYSA-N	323.418	1.843	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@H]1CCCN1C1CC1	819710506	JPNUNBCEAMHERR-CYBMUJFWSA-N	321.352	1.682	50	20	DDGD	
COc1cccc(NNC(=O)C2(c3ccccc3)CC(=O)C2)n1	810971728	DRLCWOLXUVMKEA-UHFFFAOYSA-N	311.341	1.834	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCCO2)c1c[nH]nc1C	814788699	HDJOQXXJSGJNCF-UHFFFAOYSA-N	300.318	1.643	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=C1COCCOC1	814744649	OFTSLFDEZGHASZ-UHFFFAOYSA-N	316.361	1.118	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2c(F)cccc2F)n1C	815852378	RWRFHWYWTFSZJI-UHFFFAOYSA-N	309.272	1.847	50	20	DDGD	
CCOc1ccc(NNC(=O)c2cnc(N(C)C)cn2)cc1	817911753	SFXLWQAOXOGGMK-UHFFFAOYSA-N	301.350	1.698	50	20	DDGD	
CCOc1ccccc1NC(=O)C(=O)NNc1ncncc1F	815764686	QNXOAJMSMXJCBK-UHFFFAOYSA-N	319.296	1.096	50	20	DDGD	
COC(=O)c1ccc(Cl)c(C(=O)NNc2ncncc2F)c1	817082457	WEAHZKQEFSHBOZ-UHFFFAOYSA-N	324.699	1.813	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)C(=O)N1CCCC1)C1CCCCC1	726269228	QEOMANIKMLPIMS-CYBMUJFWSA-N	324.425	1.298	50	20	DDGD	
CC[C@@H](Nc1ccccc1)C(=O)NNC(=O)c1cccn1C	729856157	MNVNMPUZICPJFG-CYBMUJFWSA-N	300.362	1.677	50	20	DDGD	
C=C(C)[C@@H](CC(=O)NNc1cccc(-c2nn[nH]n2)c1)OCC	823873628	OLPFQYFKQGSSLH-CYBMUJFWSA-N	316.365	1.681	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1cc2n(n1)CCCC2	826982770	QOBJHGVWQWUVIE-UHFFFAOYSA-N	312.373	1.532	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)Cn1cc(C2CC2)cn1	826937426	MZXDOYJEELUJGN-UHFFFAOYSA-N	316.336	1.290	50	20	DDGD	
O=S(=O)(CBr)N1CCC[C@@H]1[C@@H]1CCCOC1	827788968	YJZMLZQPNBXCMI-NXEZZACHSA-N	312.229	1.560	50	20	DDGD	
CCN(CCO)NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1	823869925	SJXRBGULOJVRGT-LLVKDONJSA-N	307.177	1.372	50	20	DDGD	
CC(C)(C)OC(=O)NCC1(C(=O)NNC(=O)c2ccc[nH]2)CC1	495308784	YILBLRSECQPCNW-UHFFFAOYSA-N	322.365	1.081	50	20	DDGD	
Cc1cccc(CCCNC(=O)/C(C#N)=C/c2cnn(C)c2)n1	491044431	CBTMFMKXYDDBNB-OQLLNIDSSA-N	309.373	1.780	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)N[C@@H]2C=CCC2)c1	821092488	NGRBWSGEEULTMV-CYBMUJFWSA-N	303.362	1.731	50	20	DDGD	
O=C(C[C@@H]1CC(=O)NC1=O)NNc1cccc(Cl)c1Cl	822499356	WBPWDIDKCCCGJY-LURJTMIESA-N	316.144	1.489	50	20	DDGD	
C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)/C(C#N)=C/c1cnn(C)c1	491051197	RSURDJVPIKBYPY-BWRWTWBJSA-N	313.405	1.412	50	20	DDGD	
O=[N+]([O-])c1ccc(N2CC[C@H](B(O)O)C2)nc1-c1ccccc1	585079171	UCDLZTBPJFTQNY-LBPRGKRZSA-N	313.122	1.710	50	20	DDGD	
CN1CC[C@@H]2[C@H](CCCN2C(=O)/C(C#N)=C\c2cnn(C)c2)C1	491163963	ZAASAXDVKRBGQQ-HHFCYPSPSA-N	313.405	1.270	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)n1	729284236	WZCPMHIGRBUBNQ-UHFFFAOYSA-N	318.293	1.041	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1cc(Cl)ccc1SC	495367845	UQEQQTQKWQNBSD-UHFFFAOYSA-N	317.754	1.388	50	20	DDGD	
CC(C)[C@@H]1N(C(=O)c2ccc(B(O)O)c(F)c2)CC12CC=CC2	585003996	VASIVIVTZKXROP-HNNXBMFYSA-N	317.169	1.322	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1csc(-c2ccc(O)cc2)n1	728600168	PLVCCUMXFWFVSK-UHFFFAOYSA-N	305.359	1.933	50	20	DDGD	
O=C(CCCOc1ccc(Cl)cc1Cl)NCB(O)O	585057571	VYMMPFOROWWWHD-UHFFFAOYSA-N	305.954	1.281	50	20	DDGD	
O=C(NNC(=S)Nc1ccc2c(c1)CCC2)C1CCOCC1	905568853	OQYMEFYVEMYUDO-UHFFFAOYSA-N	319.430	1.920	50	20	DDGD	
CCOC(=O)N[C@@H](C(=O)NNc1ncc(F)cc1F)C(C)C	496851676	AJSWGGZNZAZLLG-SNVBAGLBSA-N	316.308	1.574	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC1CC(c2ccccc2)C1	825896377	WJAPMEULFDFHFL-VYESFELBSA-N	317.389	1.688	50	20	DDGD	
CC[C@H](O)[C@@H](C)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	908050371	WBVQRBYWPSPHEB-HQJQHLMTSA-N	301.293	1.525	50	20	DDGD	
O=C(COCc1ccccc1)NNc1ccc(-c2nn[nH]n2)cc1	826416463	APZXGAXOENMFAR-UHFFFAOYSA-N	324.344	1.527	50	20	DDGD	
CC(=O)NC1CCN(C(=O)[C@]2(C)C[C@H]2Br)CC1	906462943	TVOTVWFAXIRHGH-ZYHUDNBSSA-N	303.200	1.287	50	20	DDGD	
C[C@@H](Cc1ccsc1)N(C)C(=O)c1cc(B(O)O)ccc1F	584957265	NPJFMVDUBXWAKO-JTQLQIEISA-N	321.182	1.270	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)[C@H]1CCCCO1)c1ccccc1	827249041	FZNASWAHODGANU-UONOGXRCSA-N	301.346	1.260	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@@H]1CCCN(CC(F)(F)F)C1	820523894	YSVZPBVNHGCVSH-UTEVDWOZSA-N	319.327	1.821	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@H]1CCc2cc(F)ccc21	823793062	JQWKILKCRQPOHP-AWEZNQCLSA-N	317.320	1.979	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)O)c(C)cc1Br	738251943	QCGLBVARYBUYCQ-UHFFFAOYSA-N	323.168	1.527	50	20	DDGD	
N#C/C(=C\c1cnccn1)C(=O)Nc1ccc2c(c1)OCCO2	491100397	AQPPZABXFIZXOO-YRNVUSSQSA-N	308.297	1.793	50	20	DDGD	
CCc1nc(C)c(C(C)=NNC(=O)C(=O)N2CCCC2)s1	735229661	MVYDDXXOXQXQKU-UHFFFAOYSA-N	308.407	1.477	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@@H](C)COCc1ccccc1	731282933	YWXWCSHUDADDSX-CYBMUJFWSA-N	323.393	1.206	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)COC(C)(C)CC	839458728	ACCHTCWDDRIOKY-UHFFFAOYSA-N	322.405	1.980	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@@H]1CC12CCOCC2	836613586	WTKBAXVUUFSXDO-CQSZACIVSA-N	317.389	1.437	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNc2cncc(Cl)n2)C12CCC2	838766069	KHWBQEFDCJLVBB-IUCAKERBSA-N	311.773	1.714	50	20	DDGD	
O=C(NNc1ncccc1Cl)c1ccc(-c2nn[nH]n2)nc1	738136169	BGQDRAFCUGKSPQ-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
Cc1ccc([C@H](O)[C@@H](C)NC(=O)/C(C#N)=C/c2cnn(C)c2)cc1	832400783	NVASEHGTYDNGOA-WWSWWBLPSA-N	324.384	1.874	50	20	DDGD	
C=C(CC)CNC(=O)NNC(=O)c1ccc(OC)c(OC)c1	836205943	XFUJFIDNIKLXQQ-UHFFFAOYSA-N	307.350	1.614	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)/C=C\c2ccc(O)c(O)c2)n1	588403445	NVELLWVRXVTTKA-XQRVVYSFSA-N	300.318	1.661	50	20	DDGD	
COc1ccccc1C(=O)NN[C@H](C(=O)O)c1cccnc1	832588194	BJFQBEHBZHFRNU-ZDUSSCGKSA-N	301.302	1.151	50	20	DDGD	
OB(O)c1cccc(CN[C@H]2CCCN(C3CCCCC3)C2)c1	585021458	KZVNFUKXSFVYPC-KRWDZBQOSA-N	316.254	1.253	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2cccnc2)c(C2CC2)n1	836624059	YCBJDOBZGTWTTN-UHFFFAOYSA-N	310.357	1.666	50	20	DDGD	
CC(C)(CCNC(=O)NNC(=O)N=c1cc[nH]cc1)C1CC1	836491606	AEZNNZDKDZUSKA-UHFFFAOYSA-N	305.382	1.666	50	20	DDGD	
C/C=C/C(=O)NNC(=O)c1cc(F)ccc1Br	737837048	ICJHGXUIEPPMGR-NSCUHMNNSA-N	301.115	1.925	50	20	DDGD	
CCN(CC)C(=O)[C@H](C)OC(=O)/C(C#N)=C\c1cnn(C)c1	837968175	CIVKAXZKVMEHTR-HKMIMPICSA-N	304.350	1.127	50	20	DDGD	
C[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H](c2ccco2)C1	584954782	OJZCPTLXDXKKNE-DOMZBBRYSA-N	313.162	1.573	50	20	DDGD	
Cc1nc2c(s1)[C@@H](NCc1ccc(B(O)O)cc1F)CCC2	585033443	FOVCPGSPLHTOSY-ZDUSSCGKSA-N	320.198	1.438	50	20	DDGD	
CC[C@H](O)[C@H](C)C(=O)Nc1cccc(NC(=O)NN(C)C)c1	907822658	PLAFCQCHPIHKAH-GWCFXTLKSA-N	308.382	1.630	50	20	DDGD	
COc1cc([C@@H](C)NS(=O)(=O)CCl)ccc1OCCO	830614231	AWEJXWRWKDBMJW-SECBINFHSA-N	323.798	1.243	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccc(C(=O)O)s2)c1	739132818	UETQAZWGBPYBQB-UHFFFAOYSA-N	315.310	1.393	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCC(=NNC(=O)[C@@H]2CCCCO2)C1	834985880	LAGXKDLNIMCNTM-RYUDHWBXSA-N	302.396	1.015	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1ccc(CN2CCOCC2)o1	908224328	UWOPDZXQWYAFCF-UHFFFAOYSA-N	321.204	1.988	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NC[C@H]2CCCN2C)cc1	836344632	AIHBSZZXJOIERL-GFCCVEGCSA-N	321.381	1.125	50	20	DDGD	
O=C(Cc1ccccc1F)NN=C1C(=O)Nc2ccc(F)cc21	731316851	LTGHMIXXFXHGES-UHFFFAOYSA-N	315.279	1.980	50	20	DDGD	
Cc1ccc([C@H](CNCc2ccc(B(O)O)cc2)N(C)C)cc1	585019092	BILDICNVZLJPHZ-SFHVURJKSA-N	312.222	1.067	50	20	DDGD	
COc1ccc(C)cc1C(C)=NNC(=O)[C@H]1CCS(=O)(=O)C1	730577431	TVTHHBJUQYQDOJ-LBPRGKRZSA-N	324.402	1.279	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)CCc1ccccc1C(=O)O	833422944	QLUQFNCJJHUNHK-UHFFFAOYSA-N	306.362	1.901	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2C[C@]23CCOC3)c(F)c1	837206752	GPGFDUKEMUIVNJ-BONVTDFDSA-N	308.309	1.482	50	20	DDGD	
CC(=NNC(=O)C(N)=O)c1ccccc1OCc1ccccc1	916272360	OROMBEKZFHGCOG-UHFFFAOYSA-N	311.341	1.591	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1C(=O)Nc2c(C)cc(C)cc21	916355538	LLBSZXBBIIFERI-UHFFFAOYSA-N	316.405	1.808	50	20	DDGD	
Cn1nc(C2CC2)nc1C(=O)NNc1cc(F)c(F)cc1F	836204686	MSOZYJCOWAUBOW-UHFFFAOYSA-N	311.267	1.867	50	20	DDGD	
CSC1(CNC(=O)NNC(=O)C2CCC2)CCOCC1	745868912	ZFURZSYKTCDYKS-UHFFFAOYSA-N	301.412	1.029	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=Cc1ccc(C(=O)O)cc1	747638729	RRBNHGLWMSWGEL-UHFFFAOYSA-N	322.324	1.725	50	20	DDGD	
O=C(NCCOC[C@H]1CCOC1)NNc1ccc(Cl)nc1	745813093	XNAYJYSVBREQGC-JTQLQIEISA-N	314.773	1.414	50	20	DDGD	
O=C(Cn1cc(Br)cn1)NNc1cccc(F)c1	748099096	VGEQBMLYHBATSJ-UHFFFAOYSA-N	313.130	1.928	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCC[C@@H](C)N(C)Cc1ccccc1	746774346	NQHIUIXCFUYXNC-CQSZACIVSA-N	320.437	1.883	50	20	DDGD	
CC(=NNC(=O)NC1CCCC1)c1ccc(-n2cnnn2)cc1	743531296	PLECFEJZLJENBQ-UHFFFAOYSA-N	313.365	1.628	50	20	DDGD	
CCOC(=O)C[C@@H](C)SCC(=O)NNC(=O)C(C)(C)C	742453274	DOYOFMBOPDGHBQ-SECBINFHSA-N	304.412	1.255	50	20	DDGD	
Cc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843641008	FCHLWENFDYIHOU-NXEZZACHSA-N	307.306	1.089	50	20	DDGD	
CCOCC(=O)NN=C(C)[C@H](NC(C)=O)c1ccccc1F	841623478	LILIQCYWPYRGOQ-HNNXBMFYSA-N	309.341	1.532	50	20	DDGD	
C[C@]1(C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)C[C@@H]1Br	912459896	XYBJWAJCFVYQRS-YVNDNENWSA-N	315.211	1.287	50	20	DDGD	
CCC(=NNC(=O)CCN(CC)CC)c1c(C)nn(C)c1C	741838217	QRZDONXTSYRWPZ-UHFFFAOYSA-N	307.442	1.999	50	20	DDGD	
CC(C)C(=O)NCCNC(=O)NNc1ccc(Cl)cc1F	913901601	YQCVCSDBSQEDOS-UHFFFAOYSA-N	316.764	1.877	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNc2ncc(Br)cn2)CO1	848322231	UUZOYWWOCSDLRI-BQBZGAKWSA-N	301.144	1.107	50	20	DDGD	
CN(NC(=O)CNC(=O)c1cnc(Cl)c(Cl)c1)C1CC1	911290996	BMYLQFVEJFSENE-UHFFFAOYSA-N	317.176	1.244	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCCN(C)C2CC2)cc1	844969447	DLBVLHATYDNLTR-UHFFFAOYSA-N	320.393	1.122	50	20	DDGD	
COCCC(C)(C)C(=O)NNc1ncc(Br)cn1	848322221	UNNOYHQDIICAJH-UHFFFAOYSA-N	317.187	1.745	50	20	DDGD	
CC(C)Cn1ncc2cc(C(=O)NN(C)C[C@@H](C)O)cnc21	910167685	JFLYUUYJQGJYRH-LLVKDONJSA-N	305.382	1.045	50	20	DDGD	
COC(=O)c1ccc(O)c(C=NNC(=O)[C@H]2CCO[C@@H]2C)c1	842554659	KHKDHNWSLPKABQ-SKDRFNHKSA-N	306.318	1.054	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)Cc1cc(F)ccc1Cl	849393096	YLHWWVFWTCFQOO-UHFFFAOYSA-N	310.734	1.512	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1COc2cc(O)ccc21	915959766	JOTGQUGSPXCZLN-UHFFFAOYSA-N	304.331	1.266	50	20	DDGD	
CC(=NNC(=O)C(=O)NC(C)C)c1cnn(-c2ccccc2)c1	746489236	UBFYQGYLRLXHGK-UHFFFAOYSA-N	313.361	1.237	50	20	DDGD	
COc1ncnc(N)c1C=NNC(=O)c1cccc(Cl)c1	747628006	PPONJIXMVFGIAE-UHFFFAOYSA-N	305.725	1.485	50	20	DDGD	
COc1nc(Cl)c(C=NNC(=O)[C@@H]2CCO[C@H]2C)s1	842550856	ALZFTXLFXPTNOP-NKWVEPMBSA-N	303.771	1.680	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@](C)(O)CSc1cccc(F)c1	910154770	FGYYMITWHWWVBQ-HZMBPMFUSA-N	316.398	1.013	50	20	DDGD	
CCC[C@H](O)CC(=O)Nc1cccc(NC(=O)NN(C)C)c1	843870813	PHWGVWJOVWPLDX-ZDUSSCGKSA-N	308.382	1.774	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(-n2ccnc2S)cc1	910170624	NTXOWVLWCRWBHR-SNVBAGLBSA-N	306.391	1.118	50	20	DDGD	
Cn1cc(-c2cccc(C(=O)NNC(=O)C(C)(C)C)c2)cn1	741669963	SQBNZLBMKOQFKG-UHFFFAOYSA-N	300.362	1.894	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1noc(-c2cccc(F)c2)n1	746165565	OPHKGHLJUUHYPV-UHFFFAOYSA-N	321.312	1.620	50	20	DDGD	
C[C@@H](Cc1cnc[nH]1)C(=O)NNc1ccc(C(F)(F)F)nn1	847608783	DMPIOAJASPEETJ-ZETCQYMHSA-N	314.271	1.540	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNC(=O)Cc2ccncc2)cc1	747319607	MQGWKMLTGJZTKK-UHFFFAOYSA-N	313.357	1.873	50	20	DDGD	
CN(NS(=O)(=O)CC[C@H]1CCCO1)C(=O)OC(C)(C)C	841551950	QXSUUIRUPXYEKK-SNVBAGLBSA-N	308.400	1.257	50	20	DDGD	
Cn1nc(C(=O)NN=C2COC(C)(C)C2)c2ccccc2c1=O	841610254	JIXQQTNTAXTWLT-UHFFFAOYSA-N	314.345	1.218	50	20	DDGD	
CCn1ncnc1C=NNC(=O)c1ccc(OC)c(OC)c1	848398625	AUPYKCFDQWIREY-UHFFFAOYSA-N	303.322	1.079	50	20	DDGD	
CC(C)Cc1nc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cs1	843649401	USVHGQPKPPKMGG-NXEZZACHSA-N	311.407	1.528	50	20	DDGD	
COCCCNC(=O)NN=Cc1c[nH]nc1-c1ccc(C)o1	920829702	JUPRIIGUKLOANB-UHFFFAOYSA-N	305.338	1.648	50	20	DDGD	
COCc1csc(CNC(=O)NNC(=O)C2CCCC2)c1	852278940	HNEBJXUDQUSFIL-UHFFFAOYSA-N	311.407	1.915	50	20	DDGD	
C[C@H]1CCN(CC(=O)NNC(=O)c2cccc(Cl)c2)[C@@H]1C	752317630	FGRLPQRTEBNDSE-WDEREUQCSA-N	309.797	1.831	50	20	DDGD	
O=C(NNc1ccncn1)[C@H](CN1CCCC1)c1ccccc1	854747524	QKFNGCPFILVWRJ-OAHLLOKOSA-N	311.389	1.799	50	20	DDGD	
CCCOc1ccc(NC(=O)NNC(=O)CCCN)cc1F	859762997	LFTKTALYELWKCI-UHFFFAOYSA-N	312.345	1.506	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ccc(C#N)cn1)N1CCCCC1	924822602	XZUBPHDMOOPSQO-HNNXBMFYSA-N	301.394	1.907	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1ncc(C(C)(C)C)s1	756797095	XEAYMTIHMVCLJD-UHFFFAOYSA-N	322.394	1.939	50	20	DDGD	
CCC(=NNC(=O)CCN1CCCCCC1)c1nccn1C	755578649	GWUPIFUUQBJHSA-UHFFFAOYSA-N	305.426	1.917	50	20	DDGD	
CN(CC(=O)NC1(C#N)CCC1)NC(=O)OCc1ccccc1	859386300	JXEIKCUCUJTROW-UHFFFAOYSA-N	316.361	1.322	50	20	DDGD	
NC[C@@H]1OCC[C@@H]1C(=O)NN=C(c1ccccc1)c1ccccc1	852799578	FZKOZVYJVOSPHA-IRXDYDNUSA-N	323.396	1.919	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2ccc([N+](=O)[O-])cc2F)CCOC1	853732164	WRFRTTSGVHVJKS-ZDUSSCGKSA-N	312.301	1.787	50	20	DDGD	
COC1(C(=O)NNC(=O)c2cc3c(s2)CCC3)CCCC1	754174799	XQCFWUCDPNFOFB-UHFFFAOYSA-N	308.403	1.957	50	20	DDGD	
C[C@@H]1CN(C(=O)NC[C@]2(C)C[C@H]2Br)CC[C@H]1O	856959897	ZJVOQTIQLMEZGR-BFLSOPEQSA-N	305.216	1.572	50	20	DDGD	
C[C@]1(CNC(=O)N2CCc3c[nH]nc3C2)C[C@H]1Br	856953617	MGHJVIGNKZSANH-ZYHUDNBSSA-N	313.199	1.651	50	20	DDGD	
O=C(NNC(=O)c1c(F)ccc2c1OCO2)NC1CCCCC1	929246010	IVMBEFRNGLFMKF-UHFFFAOYSA-N	323.324	1.831	50	20	DDGD	
COC[C@H](C)Oc1ccc(C=NNC(=O)[C@H]2CCO[C@@H]2C)cc1	853366737	QEPQQRWKCPSYII-ZENOOKHLSA-N	320.389	1.975	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@@H]1NC[C@H](CBr)C1CC1	859279331	OVZSPXZLXPUKQT-TUAOUCFPSA-N	303.244	1.912	50	20	DDGD	
CN(CC(=O)NNc1ccc(Cl)cn1)[C@H]1CCSC1	856092888	JUHXBUOQUFSFNP-JTQLQIEISA-N	300.815	1.615	50	20	DDGD	
CN(C)C(=O)c1cc(=NC[C@]2(C)C[C@H]2Br)cc[nH]1	856785290	IIHNISOQRMLMQX-YPMHNXCESA-N	312.211	1.791	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NN(C)C(=S)NC)cc1	854926573	DIPCVGSCRNBQTK-FMIVXFBMSA-N	318.402	1.460	50	20	DDGD	
C[C@]1(CNC[C@@H](O)COC2CCOCC2)C[C@H]1Br	857241320	UPPTXGAOPMTOMA-RAIGVLPGSA-N	322.243	1.306	50	20	DDGD	
CCOc1ccc(NNC(=O)NCC2CC3(C2)OCCO3)cc1	927092818	DWSVCSNVEWFFPX-UHFFFAOYSA-N	321.377	1.865	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3O2)c1	858707133	KWJYUVIBQOHKIG-DDHJBXDOSA-N	319.386	1.296	50	20	DDGD	
CCCCn1ncc(NC(=O)NNC(=O)c2cccn2C)c1C	757751038	YPOWESHYVFDAIL-UHFFFAOYSA-N	318.381	1.797	50	20	DDGD	
O=C(NCC1(C(=O)O)CCC1)NNc1cc(F)c(F)c(F)c1	851654296	XPSUXKKWLLPCFM-UHFFFAOYSA-N	317.267	1.985	50	20	DDGD	
Cc1n[nH]cc1S(=O)(=O)NC[C@]1(C)C[C@H]1Br	856756100	JPHAJEVOHFYLIF-BDAKNGLRSA-N	308.201	1.170	50	20	DDGD	
C[C@H](CO)CCCNC(=O)NC[C@@]1(C)C[C@@H]1Br	856881427	RMTIZQQBCRYSPJ-JBLDHEPKSA-N	307.232	1.868	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)NCC1CC=CC1	858615827	MAZCEEVKITZYLB-UHFFFAOYSA-N	324.425	1.226	50	20	DDGD	
COC(=O)CNC(=O)NN=C[C@H]1CCC[C@H](C(F)(F)F)C1	853330976	ARINLIRXUPSRCH-IUCAKERBSA-N	309.288	1.813	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@@H](O)C3CC3)cc2C1	854242053	ZNMDRLRRIDGJCC-OQPBUACISA-N	308.403	1.405	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H]2CCN(C(C)=O)C2)cc1	856968391	IUGXPUJEKOOXPV-CYBMUJFWSA-N	306.366	1.332	50	20	DDGD	
CN1CCC([C@H]2CCN(C(=O)NNC(=O)C3CCCC3)C2)CC1	753343868	KRSVIIQUAFGYCP-HNNXBMFYSA-N	322.453	1.581	50	20	DDGD	
COCCOc1ccc(NC(=O)NNC(=O)c2ccc[nH]2)cc1	755692036	MXBLZGTWHYDUIZ-UHFFFAOYSA-N	318.333	1.506	50	20	DDGD	
O=C(NN=C1CSCCc2ccccc21)N1CCOCC1	759197924	YAMNCZKOFWVYFD-UHFFFAOYSA-N	305.403	1.722	50	20	DDGD	
COC(=O)c1ccc(/C=C\C(=O)NNC(=O)C2CCCC2)o1	864845532	XLGQMAAWGHJYCP-CLFYSBASSA-N	306.318	1.417	50	20	DDGD	
CCO[C@@H]1CCCC1=NNC(=O)CNC(=O)c1cccs1	766448533	XXRISCXWCNKIHH-LLVKDONJSA-N	309.391	1.539	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNC(=O)c1ccccc1OC	762534475	VVAPOMOOIJYUOD-UHFFFAOYSA-N	308.334	1.046	50	20	DDGD	
CC(=O)N[C@H](CC(C)C)C(=O)NNC(=O)Cc1ccccc1C	860129207	XJISUTXWSAUZIP-OAHLLOKOSA-N	319.405	1.236	50	20	DDGD	
CN(C)c1ccc2c(c1)NC(=O)C2=NNC(=O)c1ccccn1	761723658	FSTRRNNYTAWPTL-UHFFFAOYSA-N	309.329	1.234	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)Cc1nc2ccccc2n1C	864484332	HVBWMMQMOMWXKY-UHFFFAOYSA-N	318.377	1.078	50	20	DDGD	
C[C@H](NC(=O)C1CCCCC1)C(=O)NN[C@H](C)C(F)(F)F	862308225	AFXRCONUPDOQEH-DTWKUNHWSA-N	309.332	1.643	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2cnn(C)c2C(F)F)c1	862478027	QMYFTSNMYSAWEK-UHFFFAOYSA-N	314.317	1.802	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1cc(F)ccc1[N+](=O)[O-]	768453156	SYPGWWQMQFROFR-UHFFFAOYSA-N	310.672	1.961	50	20	DDGD	
C[C@@H](NNC(=O)c1cccc(-c2nc(=O)o[nH]2)c1)C(F)(F)F	862322663	KQSMXBFEYMXYON-ZCFIWIBFSA-N	316.239	1.215	50	20	DDGD	
CC(C)Cc1ncc(C(=O)NNC(=O)Cc2cccnc2)s1	931967510	GEMFVLLNHQNDIY-UHFFFAOYSA-N	318.402	1.740	50	20	DDGD	
N#CSCCCNC(=O)[C@H]1C[C@]12C(=O)Nc1ccccc12	935843079	JOMRJGOYNRAXQJ-IAQYHMDHSA-N	301.371	1.617	50	20	DDGD	
NC(=O)N1CCC[C@H](C(=O)NNc2cccc(F)c2Cl)C1	862506154	MCTMUAPWQZYCDA-QMMMGPOBSA-N	314.748	1.713	50	20	DDGD	
CC(=NNC(=O)CS(C)(=O)=O)c1ccc(CC(C)C)cc1	863188274	AQUPHCOOOITKSO-UHFFFAOYSA-N	310.419	1.770	50	20	DDGD	
CN(C)N(C(=O)CC1CCSCC1)[C@@H]1CCS(=O)(=O)C1	762270136	SPZUATHLLVNNGN-GFCCVEGCSA-N	320.480	1.012	50	20	DDGD	
Cc1csc(CCC(=O)NNC(=S)NC(C)(C)C)n1	768187424	MDEQDZKEAIYQFG-UHFFFAOYSA-N	300.453	1.678	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1c(F)ccc(F)c1Cl	863072688	NMMWFCDKPVVBTD-UHFFFAOYSA-N	315.707	1.691	50	20	DDGD	
Cc1cc(NNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)ncn1	761077292	DDUMQHHCHOXCNT-UHFFFAOYSA-N	312.289	1.931	50	20	DDGD	
COc1ccc(C=NNC(=O)CNC(=O)c2cccnc2)s1	763195583	MTFWJSKMUIQXIK-UHFFFAOYSA-N	318.358	1.032	50	20	DDGD	
COC(=O)NCCCC(=O)N(C)NC(=O)OCc1ccccc1	862286953	DXNYCDZOFAGCQE-UHFFFAOYSA-N	323.349	1.422	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2ccc3c(c2)C[C@@H](C)O3)n[nH]1	869018281	JLXBBDLWHCUPDT-SNVBAGLBSA-N	314.345	1.045	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C[C@H]1C[C@H]2CC[C@H]1C2	762434616	RLVBIJVFWXGAFJ-SGMGOOAPSA-N	300.362	1.350	50	20	DDGD	
CCc1[nH]c(C(=O)NN=c2cc[nH]c(C)c2)c(C)c1C(=O)OC	862509468	NHRNRUKWFBNZES-UHFFFAOYSA-N	316.361	1.554	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc2nsnc2c1	764459767	BKMOWFSHPNLKRA-UHFFFAOYSA-N	302.319	1.247	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)NC/C=C/C1CC1	1118502676	MBRBVEAPBDTQNJ-GQCTYLIASA-N	324.425	1.226	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2c3ccccc3nn2C)cc1	1116664297	DQRTUAFQXMQOLL-UHFFFAOYSA-N	324.340	1.657	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cnc2c(c1)CCCC2	764693026	GZSXJKZCQWTQEY-UHFFFAOYSA-N	314.349	1.908	50	20	DDGD	
O=C(NNC(=O)c1ncsc1C(F)(F)F)c1ccccn1	763876049	SNALNKZTXIEBJP-UHFFFAOYSA-N	316.264	1.632	50	20	DDGD	
Cc1cc(C=NNC(=O)Cc2cc(O)nc(O)n2)c(C)s1	760260457	NNZVTBBSRYNKEX-UHFFFAOYSA-N	306.347	1.259	50	20	DDGD	
Cn1ncc(C(=O)NNc2cccc(C#N)c2)c1Br	760405957	QAXVWLYLDWYTIK-UHFFFAOYSA-N	320.150	1.811	50	20	DDGD	
CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)NNc1nccc(OC)n1	767162463	VLFDIXSXLGSJCT-MNOVXSKESA-N	323.397	1.705	50	20	DDGD	
N#CC1(C(=O)NNC(=S)Nc2ccccn2)CCCCC1	874956694	LSWVSJYVCAAJQD-UHFFFAOYSA-N	303.391	1.873	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC[C@@H]1CC(C)=NO1)c1ccccc1	875973659	HSQLYWVHZCTCGO-UONOGXRCSA-N	318.377	1.675	50	20	DDGD	
CCCN1C(=O)C(=NNC(=O)C(C)(C)O)c2cc(C)ccc21	872368578	ZBEARSCZCNDFQN-UHFFFAOYSA-N	303.362	1.343	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCCn1c(C)nc2ccccc21	875007123	BYPUNRBHXVLFGW-UHFFFAOYSA-N	319.365	1.647	50	20	DDGD	
CCc1ccc([C@H](CNC(=O)NN(C)C(=O)OC)N(C)C)cc1	875002285	DWQAJCALQXLBND-AWEZNQCLSA-N	322.409	1.764	50	20	DDGD	
C[C@@H](CBr)COC(=O)c1cccc(C(N)=O)c1	770340313	JZPHUPYRMVTMCH-QMMMGPOBSA-N	300.152	1.973	50	20	DDGD	
CCOc1cc(C(=O)NNc2ncccc2C(F)(F)F)[nH]n1	1118969214	ZHEPGEYLNHQNGD-UHFFFAOYSA-N	315.255	1.979	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1ccc2cc[nH]c2n1	779513326	HAYJWHMTWQOCHD-UHFFFAOYSA-N	321.300	1.765	50	20	DDGD	
COc1cc(OC)c(OC)cc1NC(=O)NNc1cnccn1	770073574	NHMVBMUAXXFDSF-UHFFFAOYSA-N	319.321	1.651	50	20	DDGD	
O=C(CN1C(=O)CCOc2ccccc21)NNc1ccccn1	777469437	PLMCWHPDXCBJBP-UHFFFAOYSA-N	312.329	1.340	50	20	DDGD	
CNC(=O)c1cc2cc(NC(=O)NN(C)CCOC)ccc2[nH]1	879436125	FGSABZUREDVYFT-UHFFFAOYSA-N	319.365	1.142	50	20	DDGD	
CC[C@@H](NS(=O)(=O)CBr)C(=O)c1ccccc1	872516451	VYFAAWJRFQVEIU-SNVBAGLBSA-N	320.208	1.920	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1nnc(C(F)(F)F)s1	775457959	KAAFJSBHKXCXLG-UHFFFAOYSA-N	323.235	1.635	50	20	DDGD	
Cc1cc2cc(NC(=O)C(=O)NNc3ncccn3)ccc2[nH]1	773724996	ZNUUMWANTAUYIB-UHFFFAOYSA-N	310.317	1.348	50	20	DDGD	
O=C(NNC(=O)N1CC[C@@H]2C[C@@H]2C1)c1nc2ccccc2s1	873305784	YNBATCRRIWGTIN-NXEZZACHSA-N	316.386	1.993	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(Cl)ccc1F)N1C(=O)CCC1=O	871272479	RTZHKWYVQFEPRQ-ZETCQYMHSA-N	313.716	1.460	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)C[C@@H]2CCCO2)cc1	874951948	USCFMXGCJDDDFU-ZDUSSCGKSA-N	322.434	1.639	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1cc(C)nn1C	773619813	LIGXSDYYEAADOC-UHFFFAOYSA-N	306.297	1.411	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)N1CCN(C)CC1)c1ccccc1	773658888	POOQYQOMOYVREH-SEYXRHQNSA-N	302.378	1.078	50	20	DDGD	
Cc1ccccc1C(=O)NN=Cc1cn(C[C@@H]2CCCO2)nn1	872337293	ZAGRLXPLMVHEPI-AWEZNQCLSA-N	313.361	1.529	50	20	DDGD	
COc1ccc(F)cc1CC(=O)NNc1ccnc(N(C)C)n1	776154760	ALZGRMHCVOWBHW-UHFFFAOYSA-N	319.340	1.376	50	20	DDGD	
Cc1cn2ccnc(C(=O)NNc3nccnc3C(C)C)c2n1	772853185	BUODIMWDWGXWBT-UHFFFAOYSA-N	311.349	1.708	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1	887140536	JGOZVCDAKSAUFZ-QGZVFWFLSA-N	314.341	1.109	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CSCCS2)cc1O	882048911	HMKKMTBCIXCKJT-NSHDSACASA-N	312.416	1.310	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)CCNS(C)(=O)=O	885123688	FNIFMRZCNUMZTO-UHFFFAOYSA-N	305.787	1.031	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1cccnn1)c1ccc(C)cc1	883064897	SCBDRJNZWRPJAO-ZDUSSCGKSA-N	313.361	1.880	50	20	DDGD	
O=C(CCCn1cccn1)NNc1ccnc(Br)c1	771552328	PPPCANIEVDKENG-UHFFFAOYSA-N	324.182	1.964	50	20	DDGD	
C#C[C@H](NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C)[C@@H]1CCCO1	775339761	ISSYWDWFYOGZBO-FQOXANJRSA-N	322.368	1.409	50	20	DDGD	
CCN1CCOC[C@@H]1C(=O)NNc1ccc(Cl)cc1F	885108191	YYAGMCVHFIJXLT-GFCCVEGCSA-N	301.749	1.643	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@H](c1ccccc1C)C1CC1	776022971	DCOBMWLEMVZDHM-LRDDRELGSA-N	303.406	1.982	50	20	DDGD	
Cc1ccc2cccnc2c1S(=O)(=O)NNC(=O)CC(C)C	777912313	UXNUYYZEQVXVGU-UHFFFAOYSA-N	321.402	1.899	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2ccc(Cl)nc2)n1	773664760	QFMYFNUMONFDLV-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
Cn1nccc1[C@@H]1C[C@@H](NS(=O)(=O)CCCCl)CCO1	882240234	ZBPCXRXUJOFCKU-JQWIXIFHSA-N	321.830	1.189	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cc(N(C)C)ccn1	780738918	RXUYIPPPSUACQK-UHFFFAOYSA-N	314.345	1.691	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cccc(C#N)c2)nc1	782141119	LMWLTXLAELTUCJ-UHFFFAOYSA-N	311.301	1.044	50	20	DDGD	
Nc1ncc(C=NNC(=O)c2cnn(-c3ccccc3)c2)cn1	781595168	YIAYXIZMFXTYDJ-UHFFFAOYSA-N	307.317	1.008	50	20	DDGD	
C=C1CCC(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1	887628594	XBOKGEPFKXMIFO-OAHLLOKOSA-N	316.357	1.720	50	20	DDGD	
C[C@]1(CNC(=O)NNc2ccc(C#N)cn2)CCO[C@H]1C1CC1	888819703	FEXLWVBDINLDHK-GOEBONIOSA-N	315.377	1.785	50	20	DDGD	
CC(=O)N1C[C@@H]2CCC[C@@H](NS(=O)(=O)CCCCl)[C@H]2C1	882200293	AKWOZFPGVYIRSQ-RWMBFGLXSA-N	322.858	1.182	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(N2CCOC2=O)cc1	887141945	POQDXBMIZDORFY-UHFFFAOYSA-N	315.329	1.208	50	20	DDGD	
C[C@H]1C[C@H](CCNS(=O)(=O)CBr)CCO1	784417764	MZYNCEHXIQPLQC-DTWKUNHWSA-N	300.218	1.463	50	20	DDGD	
COCCn1cc(C(=O)NNc2cccc([N+](=O)[O-])c2)c(C)n1	782751867	HVQFPQDDRKXVCD-UHFFFAOYSA-N	319.321	1.503	50	20	DDGD	
Cc1coc(C)c1C(=O)NNC(=O)Cc1cn2ccccc2n1	786272805	GVNHETFCTBYULR-UHFFFAOYSA-N	312.329	1.548	50	20	DDGD	
CN1CCC[C@@H]1c1cc(C(=O)NNc2cccc(Cl)n2)n[nH]1	897828983	CVPRFFJXEDEKMC-LLVKDONJSA-N	320.784	1.982	50	20	DDGD	
Cn1ccnc(NNC(=O)C(C)(C)Nc2ccccc2)c1=O	896029661	FRAZPFYTJKINAW-UHFFFAOYSA-N	301.350	1.114	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=S)NC(C)(C)C)C1	899999276	GNEUWXZOLMXHLW-PSASIEDQSA-N	309.439	1.369	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42	793825073	PTPMKDDCIGAHMQ-CHZBBGOOSA-N	315.804	1.994	50	20	DDGD	
COC(=O)C[C@@H]1CCC(=NNC(=O)Cn2nc(C)cc2C)[C@H]1C	794480026	KKKAOWFCZZEMTR-STQMWFEESA-N	320.393	1.581	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNc1nc(-c2cccnc2)no1	793478700	NOYHQTXPHABDDF-GXSJLCMTSA-N	305.338	1.636	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)COc1ccc(C)cc1	792811573	GNPWVIZMACKELR-IUODEOHRSA-N	308.378	1.582	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCOC2(CCC2)C1)c1ccc(Cl)nc1	895752743	LJIFWUZJNQELFG-SNVBAGLBSA-N	323.780	1.845	50	20	DDGD	
CC(COC(C)C)=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1	799873573	TVLIKJXAXDUAEC-BPLDGKMQSA-N	313.442	1.649	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)n1	792932335	OVVRQRSKVNSRIT-HAJSXZOYSA-N	310.401	1.931	50	20	DDGD	
O=C(NNC(=O)c1occ2c1CCC2)c1ccc(Cl)nc1	795300643	QGIHSYYRUJQRLQ-UHFFFAOYSA-N	305.721	1.892	50	20	DDGD	
CCn1cc(CC(=O)NNc2cccc(F)c2[N+](=O)[O-])cn1	790589372	XTBMVQSEXJLOGW-UHFFFAOYSA-N	307.285	1.636	50	20	DDGD	
COC(=O)c1cccc(NS(=O)(=O)CCCCCl)c1N	798247167	PYNDQLBSHIJPBB-UHFFFAOYSA-N	320.798	1.816	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(C=NNC(=O)NCC2CC2)C1	792988633	YFOWTHBTOQRANJ-BLLLJJGKSA-N	322.409	1.938	50	20	DDGD	
CCn1nc(C(C)C)cc1C(=O)NNc1nncc(N)c1Cl	1319801114	PLUVUIGUGTYSTP-UHFFFAOYSA-N	323.788	1.809	50	20	DDGD	
C[C@@H](CBr)CN1CCC[C@@H](NS(C)(=O)=O)C1	248785511	XGENVSDMIBZYMR-VHSXEESVSA-N	313.261	1.031	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccn(-c2ccncc2)n1	1324697457	ZIOOXGMLTZJTGZ-UHFFFAOYSA-N	301.350	1.465	50	20	DDGD	
CC(=O)Nc1cccc(CC(=O)NNC(=S)NC(C)C)c1	1327979333	VLICUBUWJKENRR-UHFFFAOYSA-N	308.407	1.091	50	20	DDGD	
Cc1cc(C=NNC(=O)CSc2nc(C)cc(C)n2)ncn1	1326193585	PAFPGTSOYMPKLE-UHFFFAOYSA-N	316.390	1.434	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)[C@]1(F)CCOC1	1324059772	DRJOLEOESXXDTG-JTQLQIEISA-N	304.119	1.416	50	20	DDGD	
Cc1cc([C@H](C)NC(=O)NNC(=O)N=c2cc[nH]cc2)c(C)o1	1328123422	ZXLMWKHQADSWQY-JTQLQIEISA-N	317.349	1.810	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2cnc(C3CC3)nc2)c1	1324344601	WPZUODNZMGISJY-UHFFFAOYSA-N	312.333	1.139	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1nc(C2CC2)n(-c2ccccc2)n1	1329807446	SIHFNCHOTFXUII-NSHDSACASA-N	315.377	1.102	50	20	DDGD	
O=C(CCl)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1	1253962860	FIICDYPKVZXEAZ-UHFFFAOYSA-N	317.754	1.180	50	20	DDGD	
CN(C)[C@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccccc1	1251774923	GZZUVVLLMSEJCG-KGLIPLIRSA-N	304.394	1.503	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)c1cnn2ccncc12	1339619549	SGRFWFSDVKGARI-UHFFFAOYSA-N	321.300	1.536	50	20	DDGD	
COC(=O)C(=O)NN=Cc1cnc(-c2ccc(C)cc2)s1	1339878935	JIIOYYGVZPOCDB-UHFFFAOYSA-N	303.343	1.742	50	20	DDGD	
CS[C@@H]1CN(S(=O)(=O)CCCCCl)C[C@@H]1N(C)C	780823776	USDSSHQUKGWSJF-WDEREUQCSA-N	314.904	1.313	50	20	DDGD	
N#CC1=CCN(C(=O)c2cccc(N3C(=O)CCC3=O)c2)CC1	1337828342	JELKYNYEXPGJDU-UHFFFAOYSA-N	309.325	1.636	50	20	DDGD	
CC(=NNC(=O)C[n+]1ccccc1)c1cnn(-c2ccccc2)c1	1339659740	QOZSYOOLGOCBBR-UHFFFAOYSA-O	320.376	1.700	50	20	DDGD	
O=C(/C=C/c1nccs1)NNc1nc(-c2cccnc2)no1	1346265340	RWWLXFJUSRAYAZ-ONEGZZNKSA-N	314.330	1.745	50	20	DDGD	
C[C@@]1(COC(=O)CCN2C(=O)CCC2=O)C[C@H]1Br	1526045322	UXONLRNWENXDHE-PELKAZGASA-N	318.167	1.242	50	20	DDGD	
CN1CCC[C@H]1CNC(=O)NNc1ccc(F)c(C(=O)O)c1	1606229906	KTTCRHGYFBYPGZ-JTQLQIEISA-N	310.329	1.244	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNc2ccc(C(=O)O)c(F)c2)c1	1608245103	HQNPYBFBPIVBLD-UHFFFAOYSA-N	317.276	1.380	50	20	DDGD	
O=C(COc1ccc(Cl)cc1)NN=Cc1cc(C(=O)O)no1	1601342288	QDELICSYAUYJGC-UHFFFAOYSA-N	323.692	1.555	50	20	DDGD	
CC(CCC(=O)O)=NNC(=O)c1cc(Br)c[nH]1	1604129403	AVDVSTDJLQKMSD-UHFFFAOYSA-N	302.128	1.748	50	20	DDGD	
Cc1cc(NC(=O)NNc2ncc(F)cn2)cc(C(=O)O)c1	1607690468	HNALDDNCAHSLRW-UHFFFAOYSA-N	305.269	1.771	50	20	DDGD	
Cc1ccc(NNC(=O)C2(n3cccn3)CC2)cc1C(=O)O	1600462464	IUCLKKGXKLIFHQ-UHFFFAOYSA-N	300.318	1.522	50	20	DDGD	
O=C(Cn1ccc(C(F)F)n1)NNc1ccc(C(=O)O)cn1	1601386535	CFNJBUNYBLXWSH-UHFFFAOYSA-N	311.248	1.057	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)nc(NC[C@@]2(C)C[C@@H]2Br)n1	1605574924	GHIFXCZZCJJLOL-GZMMTYOYSA-N	324.186	1.551	50	20	DDGD	
CC(C)C[C@H](CNC(=O)NNc1cccc(C(=O)O)c1)C(=O)O	1609692838	XONSQTZCGVIDCP-LLVKDONJSA-N	323.349	1.758	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1ccccc1OCC(=O)O	1606870586	XPVDPRMLKDHCQV-UHFFFAOYSA-N	323.349	1.210	50	20	DDGD	
O=C(O)CC1(C(=O)NNC(=O)Nc2ccccc2)CCOCC1	1606071983	SZZAYMRLSBJJLN-UHFFFAOYSA-N	321.333	1.111	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cc(F)c(F)cc2F)nc1	1602383504	OBZQUUMNZUKWGS-UHFFFAOYSA-N	311.219	1.954	50	20	DDGD	
O=C(NNc1cnccn1)Nc1ccc(Cl)c(C(=O)O)c1	1601562085	QWKAFTGSBIGVHO-UHFFFAOYSA-N	307.697	1.977	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2ncc3n2CCCC3)c1F	1602450446	VVSILSZOKDNYCA-UHFFFAOYSA-N	318.308	1.814	50	20	DDGD	
Cc1cc(C2(C(=O)NNc3cccc(F)c3C(=O)O)CC2)on1	1600182867	PPWNOIRZVRCPJO-UHFFFAOYSA-N	319.292	1.995	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2ccc(C(=O)O)s2)n1	1600512339	IQFRWTJNKPXMEL-UHFFFAOYSA-N	320.330	1.616	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1c[nH]nc1-c1ccccc1	1606529068	XUAXJMUFRBEEGN-UHFFFAOYSA-N	323.312	1.927	50	20	DDGD	
O=C(NN=Cc1cnc(C2CC2)s1)[C@@H]1CN2CCC[C@H]2CO1	1549318656	QJIOAYGYDCLGEF-AAEUAGOBSA-N	320.418	1.334	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(C#N)CC1)C2	1800070942	ZVHIHBISBWYQKS-YVECIDJPSA-N	323.824	1.946	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)cn1)[C@@H]1CN2CCC[C@H]2CO1	1550194174	RQWUXPQLEYKGHV-STQMWFEESA-N	308.769	1.048	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)c2cn(C)c3ccccc23)CCN1	1579471112	CMGYKOGKQDWNJK-VXGBXAGGSA-N	314.389	1.327	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(CC(=O)O)cc1)C(=O)OC(C)(C)C	1589424555	WRYNIYATBAUJKS-JTQLQIEISA-N	322.361	1.735	50	20	DDGD	
CC1=C(C(=O)N2CCCC23CN(C(=O)[C@@H](F)Cl)C3)CCO1	1843140881	FLOPTFFQNBRSPK-LLVKDONJSA-N	316.760	1.419	50	20	DDGD	
CC(C)(C(=O)O)n1cc(NC(=O)NNC(=O)C2CCCC2)cn1	1589667048	YQESNQIQZOLTSP-UHFFFAOYSA-N	323.353	1.046	50	20	DDGD	
CNC(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1C(F)(F)F	1591212454	RWPPLQQSCDZWHT-UHFFFAOYSA-N	313.243	1.148	50	20	DDGD	
CSSCCNC(=O)Cc1ccc(-c2nn[nH]n2)cc1	1591701841	ODWMVWKYRDWOAF-UHFFFAOYSA-N	309.420	1.537	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CC[C@H]2C(=O)O)c1F	1593898239	RLROTCKMYUAHFH-HTQZYQBOSA-N	310.281	1.166	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(C(=O)O)cc1F)c1ncnn1C	1593102943	ZZBOXNMXSVKUAZ-SSDOTTSWSA-N	322.300	1.040	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H](C(=O)O)C(C)(C)C)nc1	1593883319	YHOUHXCVYKQHBW-JTQLQIEISA-N	309.322	1.058	50	20	DDGD	
COc1cc2c(cc1OC)C(=NNC(=O)C(=O)O)CCCC2	1599465820	SRAOUNUTDKOHOK-UHFFFAOYSA-N	306.318	1.335	50	20	DDGD	
Cc1noc(C)c1C(C)(C)C(=O)NNc1ncccc1C(=O)O	1594495805	KFTKSXMNNQGXEE-UHFFFAOYSA-N	318.333	1.806	50	20	DDGD	
Cc1cc(=NC(=O)NNc2ncccc2C(=O)O)cc(C)[nH]1	1594323274	RTVIIIAASYLPQJ-UHFFFAOYSA-N	301.306	1.362	50	20	DDGD	
C[C@@H](Oc1ccc(C=NNC(=O)c2cn[nH]c2)cc1)C(=O)O	1776093733	HSMPJMKGLDCKIK-SECBINFHSA-N	302.290	1.026	50	20	DDGD	
C[C@H]1CCCC[C@@H]1NCC(=O)NNC(=O)c1cccc(C#N)c1	162363068	FEFIQWXKRFDHJO-WFASDCNBSA-N	314.389	1.488	50	20	DDGD	
CNS(=O)(=O)c1ccc(C(=O)NNc2ccccc2F)o1	153118412	DSERCFOUKXAXQP-UHFFFAOYSA-N	313.310	1.084	50	20	DDGD	
CO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1c[nH]c2ccccc12	155649192	PHXNKPVRNWFONT-ZIAGYGMSSA-N	316.361	1.679	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1coc(-c2ccccc2)n1	156156488	DOXYJJBLWRQCQP-LBPRGKRZSA-N	301.302	1.282	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cncnc2C)n1	155741879	DJBRPJRNFIVSQJ-UHFFFAOYSA-N	301.354	1.178	50	20	DDGD	
COCC[C@H](CO)NS(=O)(=O)c1ccc(CCl)cc1	311406101	XACVEIKMNTWBBU-LLVKDONJSA-N	307.799	1.101	50	20	DDGD	
ICCN1CCC[C@@H](n2ccnc2)C1	759365777	JVTCRWROZFSHIB-SNVBAGLBSA-N	305.163	1.955	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1	7955254	GANUQXPIXGMRJI-ZDUSSCGKSA-N	324.402	1.006	50	20	DDGD	
CN(C)c1ccc(C(=O)NNc2nc(-c3ccccc3)no2)cn1	102790476	QBAXLLXJXSLHGU-UHFFFAOYSA-N	324.344	1.955	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccc(F)cc1F	55351911	ZNVBENIHANYOMY-UHFFFAOYSA-N	320.295	1.977	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H]2CCC[C@H](N(C)C)C2)n1	176588307	PBGZYKZIQFWBNK-RYUDHWBXSA-N	322.413	1.293	50	20	DDGD	
Cc1c(F)cccc1S(=O)(=O)NNC(=O)c1ccccc1O	174651953	VUXFSRZPROERLI-UHFFFAOYSA-N	324.333	1.463	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2c[nH]nc2C)cc([N+](=O)[O-])c1	110758447	YLIODEXODSLGEC-UHFFFAOYSA-N	303.278	1.010	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1ccc(F)c(F)c1F	103274576	ZAYSTCVTZQVQMP-QMMMGPOBSA-N	306.284	1.989	50	20	DDGD	
N#Cc1ncn(CC(=O)NNc2ccccc2Br)n1	178907952	IJBWSZHDJZTBIF-UHFFFAOYSA-N	321.138	1.056	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc(-n2nccn2)cc1	179763818	TWEDUCXBGQOYCD-UHFFFAOYSA-N	302.338	1.466	50	20	DDGD	
CN(C)C(=O)CCCNC(=O)NNc1cc(F)c(F)cc1F	172143100	NFAZXEXNGPAPGS-UHFFFAOYSA-N	318.299	1.598	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CCCNC(=O)c1ccsc1	25635677	NZZLZIQSWNIMLQ-UHFFFAOYSA-N	311.407	1.452	50	20	DDGD	
O=C(CN(Cc1cccc(F)c1)C1CC1)NNC(=O)C1CC1	112977293	UODHYLDMKYKVBJ-UHFFFAOYSA-N	305.353	1.348	50	20	DDGD	
COc1ccc(CC(=O)NNc2nccnc2Cl)cc1OC	114893981	MWODJIPAHNXFGM-UHFFFAOYSA-N	322.752	1.833	50	20	DDGD	
COCC[C@H](C)NC(=O)NNC(=O)c1cc2ccccc2o1	176072916	OXQPPZXDVUPXKH-JTQLQIEISA-N	305.334	1.802	50	20	DDGD	
CCNC(=O)NNC(=O)CCc1ncc(-c2ccc(C)cc2)o1	65190401	GMLXGTREVQZAMH-UHFFFAOYSA-N	316.361	1.933	50	20	DDGD	
CC[C@@H](C)N(C)CCNC(=O)NNC(=O)Cc1ccc(F)cc1	66197121	ZFGZKKVHPUCHDB-GFCCVEGCSA-N	324.400	1.429	50	20	DDGD	
CC[C@@H](C(=O)NNc1cccc([N+](=O)[O-])c1)N1CCCC1=O	178836947	JBHFWQNQKNVLRC-LBPRGKRZSA-N	306.322	1.439	50	20	DDGD	
CC[C@@H](Oc1ccccc1C)C(=O)NNC(=O)c1cnn(C)c1	176761991	MVYKKNXABSMZRX-CYBMUJFWSA-N	316.361	1.347	50	20	DDGD	
CCC1CCC(=NNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1	63421579	FUGWDYGBVLMTLS-KFJBMODSSA-N	301.412	1.429	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](C)C(C)(C)c1ccccc1	66703407	LEMPZXOKXWYCBS-GFCCVEGCSA-N	307.394	1.720	50	20	DDGD	
Cn1c(=O)oc2c(C(=O)NNC(=O)CC(C)(C)C)cccc21	120228182	YJJQFHWFSJJTDC-UHFFFAOYSA-N	305.334	1.329	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)NC(=O)CC2	186099984	RLQZOZRUEYQCPF-VIFPVBQESA-N	304.350	1.770	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(F)c(C)c1	77163739	LJOAJBLHYLYILA-UHFFFAOYSA-N	309.341	1.200	50	20	DDGD	
CC(C)[C@@]1(C)C[C@@H]1C(=O)NNC(=O)COc1ccc(C#N)cc1	185206645	CNXWTSIHKIOTNY-RHSMWYFYSA-N	315.373	1.767	50	20	DDGD	
CC(C)OCCNC(=O)NNC(=O)c1c[nH]c2ccccc12	184156373	SSFRNPANEKDZMV-UHFFFAOYSA-N	304.350	1.537	50	20	DDGD	
C[C@@H]1CN(CCC(=O)NNC(=O)C[C@H]2C=CCCC2)C[C@@H](C)O1	188189168	FTDPTHWSUPWMKJ-KFWWJZLASA-N	323.437	1.380	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNc1ncnc2nc[nH]c12	186427730	UPFNEPYLRXJQNA-MNOVXSKESA-N	318.381	1.781	50	20	DDGD	
CCOC(=O)NNC(=O)COc1ccccc1Br	124489081	IGCLOEACTVSECU-UHFFFAOYSA-N	317.139	1.605	50	20	DDGD	
Cc1cc(-n2cncn2)ccc1C(=O)NNc1ccnc(F)c1	182442856	YPESLICKRZMULD-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@H](C)[C@@H](C)N1CCOCC1	185356019	KZSMARBIMAEDDK-CHWSQXEVSA-N	324.400	1.869	50	20	DDGD	
CCCC[C@@H](NNC(=O)Cn1ccc2ccccc21)C(=O)OC	135206656	DDLZSCHTWKECMG-CQSZACIVSA-N	317.389	1.994	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccn1	48347577	XZTLNOKAWBILSE-UHFFFAOYSA-N	301.262	1.456	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cnn(C(C)(C)C)c1	133203064	VSNZNGMKQNGMSQ-UHFFFAOYSA-N	305.342	1.585	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@@H]2CCCOC2)cc(C#N)n1C	194862840	QXSBHFXKYWHMRF-CODCLWSRSA-N	312.373	1.655	50	20	DDGD	
CC(C)CC(C)(C)CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1	83750788	QUTWPWHICGGEBN-CQSZACIVSA-N	319.471	1.440	50	20	DDGD	
CC[C@@H](C)NC(=O)CCNC(=O)NNc1cncc(Cl)n1	193800602	HNQOZQGALIENFZ-MRVPVSSYSA-N	314.777	1.061	50	20	DDGD	
COc1cc(/C=C(\C#N)S(=O)(=O)N(C)C)c2c(c1)C[C@H](C)O2	195317456	IEDIKWFYADUJHI-CEITULEQSA-N	322.386	1.774	50	20	DDGD	
O=C(NCc1ccn(-c2ccccc2)n1)NNC(=O)c1ccc[nH]1	131871403	DETJIUHFSBNXIE-UHFFFAOYSA-N	324.344	1.345	50	20	DDGD	
Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)C(C)(C)O)cc2)n1	190056173	CHYZOIJCSYBBFP-UHFFFAOYSA-N	316.361	1.021	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Nc2cnn(CC)c2)cc1	194295712	WHNXUYQUYLPPRZ-UHFFFAOYSA-N	301.350	1.932	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C[C@@H]1CCCOC1	195012017	VJRKNYPGGKSYBQ-NEPJUHHUSA-N	324.352	1.557	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CC[C@@H]1CCCO1	46141652	JLAHQKHWHAEBNM-RYUDHWBXSA-N	324.352	1.700	50	20	DDGD	
Cc1cccc(OCCNC(=O)NNC(=O)c2ccc(C)o2)c1	84069916	SLZYMRZLMZIYSY-UHFFFAOYSA-N	317.345	1.919	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCc1nc2cccnc2[nH]1	194238832	DFZORBQDYGZJCK-XYOKQWHBSA-N	319.324	1.887	50	20	DDGD	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNc1nc2ccccn2n1	191912909	COAORCIITMOVMF-RMKNXTFCSA-N	324.300	1.794	50	20	DDGD	
CC(C)[C@H](N)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	236776070	YJKJNAJQFRUZGI-JTQLQIEISA-N	309.757	1.816	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@H]1COc2ccc(F)cc2C1	90090960	PCDBRBJZCFUWRK-LLVKDONJSA-N	317.320	1.177	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccc(C#N)cc2)cnn1C(C)C	92365065	VJGYENASNULTRV-UHFFFAOYSA-N	311.345	1.719	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)/C=C\Sc2ccccc2)cn1	255902310	OFSANMRJOFILRM-FPLPWBNLSA-N	302.359	1.487	50	20	DDGD	
CCC(CC)n1ccc(C(=O)NNC(=O)c2cnn(C)c2)n1	269253604	CEMRBGGUYATKJC-UHFFFAOYSA-N	304.354	1.053	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1nc[nH]n1	269449894	SQEKSPSBHITORA-UHFFFAOYSA-N	303.366	1.172	50	20	DDGD	
COC[C@@H](C)OC(=O)/C(C#N)=C/c1cccc(OCC(=O)O)c1	264886364	DRVWXHCDMABLCQ-XXLSNGBASA-N	319.313	1.635	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)COc1ccccc1O)N(CC)CC	266870488	XJZOFTUARYVEIE-LBPRGKRZSA-N	323.393	1.039	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)COc1ccccc1O	268267602	SRGJSDQRAVRLNL-NEPJUHHUSA-N	321.377	1.680	50	20	DDGD	
O=C(NCCCOCCc1ccccc1)NNC(=O)C1CCC1	264787952	ZVQHTZWWERSBNH-UHFFFAOYSA-N	319.405	1.766	50	20	DDGD	
NC1(C(=O)NNc2nc(-c3ccncc3)no2)CCCCC1	269252750	QJJSGOXJAYTHDB-UHFFFAOYSA-N	302.338	1.236	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)COc1cc(C)cc(C)c1	265711351	IMSZMLAYOUXFBI-UHFFFAOYSA-N	317.345	1.694	50	20	DDGD	
COCCOc1cccc(/C=C/C(=O)NNC(=O)C2CCC2)c1	275685489	HQEGKPPWGMFNLA-CMDGGOBGSA-N	318.373	1.673	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)N[C@H]1CCO[C@@H](C2CC2)C1	368153037	SCXAJWLYQHZGBX-SMDDNHRTSA-N	319.361	1.294	50	20	DDGD	
CCOC(=O)N1CCC[C@@H](C(=O)NNc2ncccc2C)C1	276788867	WFDBPVDHPMLCKC-GFCCVEGCSA-N	306.366	1.702	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2CCO[C@H](C(C)C)C2)n1	271813328	PBEQOPCTWISCAE-QWRGUYRKSA-N	309.370	1.315	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC2(SC)CC2)c1	279986589	KFBFNUJANHHLNS-UHFFFAOYSA-N	309.391	1.995	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1C	274217906	OEUCASJMWJHNPC-UHFFFAOYSA-N	319.239	1.340	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCOC[C@H]1c1c(C)n[nH]c1C	369254546	UNXQIBFUOMSCSW-RPHSKFLZSA-N	304.350	1.370	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2	271362554	NTRJDSRIRLVHCM-MRVPVSSYSA-N	322.390	1.425	50	20	DDGD	
COC1(CNC(=O)NNC(=O)c2cccc(C)n2)CCCCC1	279917544	MMBZHQKJXICFDS-UHFFFAOYSA-N	320.393	1.683	50	20	DDGD	
C#CCCN1CCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)CC1	278804384	WVIDQWYWAUVOET-DTQAZKPQSA-N	309.369	1.467	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNC(=O)c1cccc(N(C)C)c1	270576340	OSWUZXOLUSDDLC-UHFFFAOYSA-N	321.377	1.103	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNC(=O)c1ccc(Cl)cc1OC	280762751	MBCZFBBAZDOBDN-CQSZACIVSA-N	312.753	1.437	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1ccc(O[C@H](C)C(=O)O)cc1	285221214	SGPXUVXUBAXDEM-GARZTLJTSA-N	309.343	1.838	50	20	DDGD	
COC1(C(=O)NNc2ncnc3ccsc23)CCOCC1	284739936	HHVTXYPVCMODDN-UHFFFAOYSA-N	308.363	1.330	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)c2ccc[nH]2)c(C(F)(F)F)n1	280545239	IOSVBSTZFJLDFR-UHFFFAOYSA-N	315.255	1.325	50	20	DDGD	
CC(=O)NNC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1	289307001	DLBISGAFQQIIAP-UHFFFAOYSA-N	313.379	1.900	50	20	DDGD	
COCC1(C(=O)NNC(=O)Nc2ccccc2C)CCOCC1	291792754	XJPSQMAILCOEQZ-UHFFFAOYSA-N	321.377	1.591	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CC[C@@]1(C)CCC(=O)N1	805384748	DPVJJIQUXPCBGV-OAHLLOKOSA-N	320.349	1.795	50	20	DDGD	
Cc1ocnc1CNC(=O)NNc1ccc2c(=O)[nH]ccc2c1	807071338	FWYQYWGYJNEBCQ-UHFFFAOYSA-N	313.317	1.651	50	20	DDGD	
Cc1nnc(CCNC(=O)NNc2ncc(F)cc2F)s1	298086467	VWUSIUOJAKAHTL-UHFFFAOYSA-N	314.321	1.389	50	20	DDGD	
CO[C@@H]1COCC[C@@H]1CC(=O)NNC(=O)c1ccc(C)s1	294685011	YBBILKHGFLBCHR-GHMZBOCLSA-N	312.391	1.259	50	20	DDGD	
C[C@H](C(=O)NNC(=O)COCc1ccccc1)C(C)(F)F	293186389	PBUNFHCAHIBCIB-SNVBAGLBSA-N	300.305	1.642	50	20	DDGD	
COCCN(C)NC(=O)[C@@H](C)NC(=O)c1ccc(Cl)cc1	294309524	IABSGYLDUONJQM-SNVBAGLBSA-N	313.785	1.068	50	20	DDGD	
CC[C@H](CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C)OC	292414981	HMCUXTRDVFKZLN-MRHLJLSQSA-N	300.362	1.653	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1cccc(-n2cnnn2)c1	808248851	USIWTPBVRQWCLI-UHFFFAOYSA-N	300.149	1.538	50	20	DDGD	
CCOc1cccc(NC(=O)NNC(=O)[C@H]2CCCCO2)c1	296422605	NBAVHFKJXPPRLN-CYBMUJFWSA-N	307.350	1.807	50	20	DDGD	
CNc1ccc(C(=O)NNc2ccccc2S(C)(=O)=O)cn1	802762484	IDTXXGYVNZYTKS-UHFFFAOYSA-N	320.374	1.284	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cnc[nH]2)ccc1OC(C)C	299649949	OLQSOTGSASXEBX-UHFFFAOYSA-N	318.333	1.280	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)c2sc(N)nc2C)[C@H]1SC	807961931	LXBMLKKXBYUUGU-WCBMZHEXSA-N	314.436	1.660	50	20	DDGD	
Cc1cc(C(=O)NNc2cccc(F)n2)c2c(C)n[nH]c2n1	804769270	KCBBTBQXVJBZJL-UHFFFAOYSA-N	300.297	1.866	50	20	DDGD	
O=C(NNC(=O)c1csc(O)n1)Nc1cc(F)cc(F)c1	802007730	ORUIXHGUENNDHX-UHFFFAOYSA-N	314.273	1.593	50	20	DDGD	
CC1=C(C(=O)NNc2nc(-c3cccnc3)no2)SCCO1	806774830	JATWFATUIRIEAP-UHFFFAOYSA-N	319.346	1.570	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802122477	QLOMVZVXVOFZCN-ZDUSSCGKSA-N	308.382	1.720	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@@H](O)Cc1ccccc1	805470321	PDINETSPSVMUDM-AWEZNQCLSA-N	312.373	1.791	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2cc[nH]c2C)cc1	801109747	AFCREUVEKSUEHS-UHFFFAOYSA-N	300.318	1.031	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1ncccc1Cl	815236190	RWQLSMRGNKDEKE-UHFFFAOYSA-N	316.708	1.937	50	20	DDGD	
CCOc1ccc(NNC(=O)c2ccc(S(C)(=O)=O)o2)cc1	817879335	HVMWHPKZCKBIRP-UHFFFAOYSA-N	324.358	1.839	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2c(Cl)nc(N)n2C)n1	814779284	JEVJMECEVQYESK-UHFFFAOYSA-N	312.786	1.113	50	20	DDGD	
C[C@H](Oc1ccc(F)c(F)c1)C(=O)NNc1ncncc1F	817080176	HALDNCXBAPMLAG-ZETCQYMHSA-N	312.251	1.805	50	20	DDGD	
O=Cc1c[nH]c(C(=O)NNC(=O)CCOc2ccccc2)c1	815149982	ICZVQWHESCZHMG-UHFFFAOYSA-N	301.302	1.057	50	20	DDGD	
C[C@H]1C(=NNC(=O)N2CCOCC2)CCN1Cc1ccccc1	811640607	WBEKYMIRZUECJT-AWEZNQCLSA-N	316.405	1.679	50	20	DDGD	
O=C(NC[C@@H]1C[C@H]2C=C[C@H]1CC2)NNC(=O)c1ccccc1O	817786876	BFRYBBBAEDJWCS-AVGNSLFASA-N	315.373	1.939	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@H]2COCCO2)cc1C	812721942	HIFNCVCFOZIFBJ-CYBMUJFWSA-N	308.334	1.030	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1CCC[C@H]1C(C)(C)C#N	814762880	MYJBTPQOCDGCBM-ZIAGYGMSSA-N	320.437	1.777	50	20	DDGD	
N#C/C(=C/c1ccc(OCCCCl)cc1)S(N)(=O)=O	811691634	RDKZEICUNSRLLI-WQLSENKSSA-N	300.767	1.847	50	20	DDGD	
COCCOc1ccc(C(C)=NNC(=O)CN(C)C)cc1OC	727647992	RCKGJFARWMHNFS-UHFFFAOYSA-N	323.393	1.122	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCCc1nc(-c2cccs2)no1	823971194	QJAXCHPJRSPGNP-SNVBAGLBSA-N	324.406	1.465	50	20	DDGD	
Cc1ccc([C@H](C)NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)s1	825890417	DAMJLRTWGZQWPQ-AXFHLTTASA-N	311.407	1.873	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNc1nc(-c2ccccc2)no1	823232012	HUELQTVNNSQSFS-NEPJUHHUSA-N	300.318	1.771	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H]2CC(c3cn(C)nc3C)=NO2)n1	827031832	WXKCUELBJDLGGV-CYBMUJFWSA-N	314.349	1.068	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCC(C)(C)c1cccnc1	826979295	LADULJRNPISMIB-YPMHNXCESA-N	320.393	1.115	50	20	DDGD	
CCN(Cc1ccccn1)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	827288929	PTLHNMNJPKZFNA-DGCLKSJQSA-N	306.366	1.069	50	20	DDGD	
Cc1cccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1O	826296083	IYSSXXXGULNXCM-UHFFFAOYSA-N	310.317	1.638	50	20	DDGD	
COc1cc(NNC(=O)N[C@@H]2COC[C@H]2OC)ccc1Cl	827931063	WDNMHBSKTYZDTP-ZYHUDNBSSA-N	315.757	1.389	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@H]1[C@H]1CCCOC1	828906354	WXNTZOYRSRNAKK-STQMWFEESA-N	311.426	1.071	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)Cc1cnn(C)c1C	822732420	XWFDGGJVSILNRO-UHFFFAOYSA-N	320.324	1.340	50	20	DDGD	
O=C(NN=CC[C@@H]1CCOC1)c1cccc(-c2nn[nH]n2)c1	826444824	WASNXFMNYKICGR-SNVBAGLBSA-N	300.322	1.009	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(CN2CCCCC2=O)cc1	823970933	NANKNHKAFRKSES-ZDUSSCGKSA-N	319.405	1.157	50	20	DDGD	
CCn1ccnc1C(C)=NNC(=O)CCNC(=O)OC(C)(C)C	496535381	RDPPUZBDSITXHP-UHFFFAOYSA-N	323.397	1.658	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C	823950675	FHDNRGDSVINBTF-NWDGAFQWSA-N	315.414	1.120	50	20	DDGD	
Cc1cccc(-c2cncc(C(=O)N3CC[C@@H](B(O)O)C3)c2)c1	585066056	LVNGCNSKACQZGV-MRXNPFEDSA-N	310.162	1.746	50	20	DDGD	
C[C@]1(N)CCCC[C@@H]1C(=O)NNc1nc(-c2ccncc2)no1	828217562	DDZPTBFDYQZLGV-ABAIWWIYSA-N	316.365	1.482	50	20	DDGD	
CC(C)C[C@@H]1C[C@H]1C(=O)NNc1nc(O)c2cnn(C)c2n1	823325968	OEZMRWAODPDCAM-RKDXNWHRSA-N	304.354	1.194	50	20	DDGD	
CC[C@@H](C)[C@@H](NNC(=O)COc1ccc(OC)cc1)C(=O)OC	905746601	CKQOQMSFQQKBLO-IAQYHMDHSA-N	324.377	1.283	50	20	DDGD	
O=C(Cc1ccccc1C(F)(F)F)N1CC[C@H](B(O)O)C1	585068938	IVKKQPYBLLSRDU-JTQLQIEISA-N	301.073	1.323	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(-n3cnnn3)c(C)c2)nc(C)n1	736716193	HBCOLIRIXHWURU-UHFFFAOYSA-N	324.348	1.134	50	20	DDGD	
CC1=NO[C@@](C)(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)C1	901373532	KCJURYCENWHMNF-ZUZCIYMTSA-N	323.324	1.295	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)NCC1CCCC1	494741960	IQGFCHFCJNGMDO-UHFFFAOYSA-N	314.386	1.032	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)/C=C\c1ccc[nH]1	491949872	ATLBERAXFNFLOG-FPLPWBNLSA-N	309.329	1.445	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](c2ccccc2)C[C@@H]1C	734486322	FOIJSLPCUOJBHF-YDHLFZDLSA-N	303.406	1.810	50	20	DDGD	
C[C@@H]1C[C@@H](NCc2ccc(B(O)O)cc2F)c2ccccc2O1	585042838	DTPFPMCTCRJILY-BDJLRTHQSA-N	315.153	1.507	50	20	DDGD	
CCCN(CC)C[C@H](C)NC(=O)/C(C#N)=C\c1cnn(C)c1	491135300	SWCJJZDQXVRNAN-PBTLCFMXSA-N	303.410	1.564	50	20	DDGD	
CCCCN(C(=O)c1ccc(B(O)O)cc1)C1CCCCC1	584995160	QOAYFOQAWBGPIH-UHFFFAOYSA-N	303.211	1.941	50	20	DDGD	
CCO/C=C/C(=O)NNC(=O)COc1ccccc1OCC	492789968	IFOZTUMCTJWENX-MDZDMXLPSA-N	308.334	1.162	50	20	DDGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NOCCO)c1C	490690888	DUBJWYCWHCVRCD-AAWHYMEISA-N	321.377	1.259	50	20	DDGD	
O=C(CCN1CCCCCC1)NN=Cc1ccc(C(=O)O)nc1	901153646	JPGQKNGKADDIIK-UHFFFAOYSA-N	318.377	1.496	50	20	DDGD	
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](B(O)O)C1	585063490	AQCKNUZLHFDYFR-LLVKDONJSA-N	306.127	1.209	50	20	DDGD	
CCCCOC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1cnn(C)c1	837971613	PUKCFWZPOCWJLR-HKMIMPICSA-N	305.334	1.602	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCO[C@@H](c2cccc(F)c2)C1	732199982	TVNOQPGXVOEWQT-BXUZGUMPSA-N	323.368	1.145	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)C1(C(=O)NC2CC2)CCC1	730290502	PKEUWJRVHXVXIV-UHFFFAOYSA-N	324.384	1.549	50	20	DDGD	
CCCc1c(C(=O)NNc2cc(C)ncn2)[nH]c(C)c1C(=O)O	737043781	NDHGWMVXAFKVSN-UHFFFAOYSA-N	317.349	1.829	50	20	DDGD	
COc1cccc(C2(CNCc3ccccc3B(O)O)CC2)c1	585041856	WKHJWPPOGRXMGX-UHFFFAOYSA-N	311.190	1.196	50	20	DDGD	
COc1ccc(CCC(=O)NN=C2CCNC(=O)CC2)cc1	834944620	PVIBXERUPSCKIH-UHFFFAOYSA-N	303.362	1.400	50	20	DDGD	
Cc1cc(NNC(=O)c2cnn(-c3ccccc3F)c2)ncn1	734256817	ZXLVVCYGMONCJC-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
O=C(O)Nc1cccc(C(=O)NNc2ncccc2[N+](=O)[O-])c1	833287856	BUABFHQSGNTEMY-UHFFFAOYSA-N	317.261	1.837	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)Nc1ccc(OC)cc1)OC	836464159	PRGFBPICCHXAQN-LLVKDONJSA-N	310.354	1.456	50	20	DDGD	
Cc1ccc(C[C@H]2CCCN2C(=O)c2ccc(B(O)O)cc2)cc1	584946651	WWPYAKRAKBDNNV-GOSISDBHSA-N	323.201	1.522	50	20	DDGD	
CC1(C)CN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1ccccc1	584934202	MHAHEHOBYSRIBB-INIZCTEOSA-N	309.174	1.590	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cccc(Oc2cnccn2)c1	910162523	HACGZQQNAAFWBM-LLVKDONJSA-N	302.334	1.226	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1c[nH]ccc1=Nc1ccccc1	910139154	PPUYEWMAUWJDAS-GFCCVEGCSA-N	300.362	1.205	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N(CC1CCC1)CC(F)(F)F	584961320	QLJXFUQPQKHYKQ-UHFFFAOYSA-N	315.100	1.171	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1ccccc1C(F)(F)F	731284019	LJMDDISRPHBXED-UHFFFAOYSA-N	319.283	1.572	50	20	DDGD	
CC(C)(O)C(C)(C)CNC(=O)NNC(=O)CCc1ccccc1	836653484	NOEPIMMMBGHRQV-UHFFFAOYSA-N	321.421	1.747	50	20	DDGD	
C[C@]1(c2ccccc2)C[C@H]1NC(=O)NNC(=O)[C@@H]1CCCCO1	836326918	ZYUTWMNRUPYLSP-JJRVBVJISA-N	317.389	1.616	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=Cc1cnn(C)c1	917212792	ZVIIADXDQZIYPJ-UHFFFAOYSA-N	310.361	1.483	50	20	DDGD	
CC(C)c1ncsc1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	831849530	ZHYNIFGRHROIHL-BDAKNGLRSA-N	312.395	1.844	50	20	DDGD	
O=S(=O)(CBr)N1CCC[C@]2(CCSC2)C1	832628763	IIQBRRWYQKFGLD-VIFPVBQESA-N	314.270	1.888	50	20	DDGD	
CC(C)NC(=O)Nc1ccccc1C(=O)NN(C)C[C@@H](C)O	910180471	VUUZRDBJFREWBW-LLVKDONJSA-N	308.382	1.174	50	20	DDGD	
Cc1cc2c(cc1C)O[C@H](C(=O)NNC(=S)NC(C)(C)C)C2	743823148	UQANYKYUOVUELA-ZDUSSCGKSA-N	321.446	1.901	50	20	DDGD	
NC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)CCc1ccccc1	841951953	YEDLRBFUBZRXBX-LSDHHAIUSA-N	318.421	1.467	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@H]1CCN[C@H](C)C1)c1ccccc1	841990045	XTOJOHISSIINST-SNPRPXQTSA-N	318.421	1.651	50	20	DDGD	
COCC[C@H](C)CNC(=O)NNC(=O)Cc1ccc(F)cc1	840403164	ROBKMJZZOBBGAU-NSHDSACASA-N	311.357	1.371	50	20	DDGD	
COCCOCC(C)=NNC(=O)CCc1ccc(OC)cc1	741163890	YYFYGUWYZYKGRO-UHFFFAOYSA-N	308.378	1.783	50	20	DDGD	
CCOc1c(Cl)cccc1CC(=O)NN(C)C[C@H](C)O	910154240	XTEMUAYQKAGDPS-JTQLQIEISA-N	300.786	1.625	50	20	DDGD	
CC(=NNC(=O)c1c(C)nc2ccccn12)c1cc2n(n1)CCC2	841606708	KCCFRYJHOJFCEP-UHFFFAOYSA-N	322.372	1.939	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@@H](C)NC(=O)NNc1ccc(Cl)nn1	840416857	NGVNHLZNFGIMEM-AMIZOPFISA-N	313.789	1.960	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cnc3c(c2)CNCC3)o1	841322572	VBCXEHPIAVTROP-UHFFFAOYSA-N	315.333	1.095	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1ccc2[nH]ccc2c1	843662676	SDIPXKHUOAFRGL-FZMZJTMJSA-N	315.373	1.673	50	20	DDGD	
CC(C)c1ccccc1NC(=S)NNC(=O)[C@@]1(O)CCOC1	840438373	AVDZQQPQDWLMHF-OAHLLOKOSA-N	323.418	1.279	50	20	DDGD	
COc1ccc2nc(C)c(C(=O)NN(C)C[C@@H](C)O)cc2c1	910180018	QASHBBIASGCACA-SNVBAGLBSA-N	303.362	1.509	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)CS(C)(=O)=O)C1	912580613	SXBAVHQUBGRCDD-NSHDSACASA-N	321.515	1.654	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=Cc1ccccc1[N+](=O)[O-]	916324054	PGSTZLWZEBYSMI-UHFFFAOYSA-N	324.296	1.996	50	20	DDGD	
CCCNC(=O)NNC(=O)C[C@@H](c1nccn1C)C(F)(F)F	847393449	GCYALHKQFREVRM-QMMMGPOBSA-N	321.303	1.197	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)Cc1cn2ccccc2n1)C1CC1	746545163	HWTJDJGYJHKEFV-LLVKDONJSA-N	300.362	1.460	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@H](OC2CCC2)C1	847034829	BPQGAUBYBZZTTI-ZDUSSCGKSA-N	311.426	1.213	50	20	DDGD	
CCOC[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H]2Br)CCO1	913150323	SGOMWGYSKTWPIV-NHCYSSNCSA-N	306.200	1.424	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@@H]1C[C@H]1C1CCC1	846627468	BBIIDBABRIQGLG-QWHCGFSZSA-N	317.389	1.691	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1nccc(C(F)(F)F)n1	840728929	KEFMPDVJIMFSAK-VURMDHGXSA-N	300.240	1.556	50	20	DDGD	
Cn1ccnc(NNC(=O)c2ccccc2C(F)(F)F)c1=O	747943425	WRCZTJWRXRHBDZ-UHFFFAOYSA-N	312.251	1.556	50	20	DDGD	
Cc1c(NC(=O)NNc2ncnc(Cl)c2C(C)C)nnn1C	841791628	CGUVTKFALZEKOL-UHFFFAOYSA-N	324.776	1.839	50	20	DDGD	
CCC(=NNC(=O)Cn1nnc(-c2ccccc2)n1)[C@@H]1C[C@H]1C	841602935	IGBFSSQHKTUTOK-DGCLKSJQSA-N	312.377	1.878	50	20	DDGD	
Cn1nc(C(=O)NNc2ccccc2F)c2ccccc2c1=O	748055913	XSZBOPQZDCPYKZ-UHFFFAOYSA-N	312.304	1.830	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)N[C@H](C)CCN)c1C	841966477	CZVSPDHSUPYCPM-YPMHNXCESA-N	322.409	1.138	50	20	DDGD	
NC1(CNC(=O)NNC(=O)CCc2ccccc2)CCCCC1	841922411	HJPWOSFIFMFOLJ-UHFFFAOYSA-N	318.421	1.611	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNc1cccnn1)C(=O)OC(C)(C)C	847429472	NHGKMVQNLMCJSJ-NSHDSACASA-N	323.397	1.717	50	20	DDGD	
C[C@](O)(C(=O)NNc1ncc(Br)cn1)C1CCC1	848322595	HRDRZCWRZSJVNB-LLVKDONJSA-N	315.171	1.233	50	20	DDGD	
COc1nc(N(C)C)sc1C=NNC(=O)[C@@H]1CCO[C@@H]1C	842558715	SMLTXNSTXZUOBT-RKDXNWHRSA-N	312.395	1.093	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1scnc1C(F)(F)F	848158793	ZCSVTDAVLXAVSD-ZCFIWIBFSA-N	323.296	1.492	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCC1=CCNCC1)c1ccccc1	841972513	BGEHOKHTMGNMNT-UHFFFAOYSA-N	316.405	1.214	50	20	DDGD	
Cn1cc(C=NNC(=O)c2ccc(N)cc2)c(-c2cccnc2)n1	920357120	BEYMXRJDEQXWCN-UHFFFAOYSA-N	320.356	1.828	50	20	DDGD	
CCOc1cc(C=NNC(=O)[C@H]2CCO[C@@H]2C)ccc1OC	842557551	PPXIRZHWMQYTSJ-YPMHNXCESA-N	306.362	1.969	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Nc2cc(C)n(C)n2)cc1	757752762	GAACMMOLBQQLKH-UHFFFAOYSA-N	301.350	1.757	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCCO2)NC1CC=CC1	759787867	UKHYOGBBMPXBQR-UHFFFAOYSA-N	303.318	1.120	50	20	DDGD	
CC(C)[C@H](NC(=O)NNC(=O)[C@H]1CCCCO1)c1cnn(C)c1	927418924	GHMDPWUYNKLJMV-OLZOCXBDSA-N	323.397	1.017	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)C1	855833247	IKUVUWFKNXYIFG-NEPJUHHUSA-N	311.426	1.513	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc3ccccc3n2)O1	756902663	VQFZGOOGNVQBKB-WFASDCNBSA-N	313.357	1.953	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cc(F)ccc1OC(F)F	853283369	MVSSUKPQMHQZFA-UHFFFAOYSA-N	317.267	1.402	50	20	DDGD	
COc1ccc(NCC(=O)NN=C2C[C@@H](C)N(C3CC3)C2)cc1	753955566	PJYCDWIRHRONBQ-GFCCVEGCSA-N	316.405	1.836	50	20	DDGD	
CCC(C#N)(CC)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	858092404	VYGNOINQWCPWIX-UHFFFAOYSA-N	304.306	1.686	50	20	DDGD	
Cc1cnc([C@@H](C)NCC(=O)NNC(=O)c2cccs2)s1	755009201	SEEFXIKIKYNFOY-SECBINFHSA-N	324.431	1.625	50	20	DDGD	
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NNc1ccc(Cl)cn1	852036551	WAFPJYBGYIZNTK-RKDXNWHRSA-N	313.789	1.664	50	20	DDGD	
Cc1ccc2c(C=NNC(=O)CNC(=O)c3ccco3)c[nH]c2c1	750935945	ARVAWQDUILBKCY-UHFFFAOYSA-N	324.340	1.949	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(c2ccncc2)C[C@@H]1C	925488355	SGFASTFQHFOQCU-REQDGWNSSA-N	300.362	1.563	50	20	DDGD	
CC(C)CCOc1ccc(C(=O)NNC(=O)[C@H](O)C2CC2)cc1	854198054	CFCLJQNSAVPEJD-OAHLLOKOSA-N	320.389	1.643	50	20	DDGD	
CCO[C@H]1COCC[C@H]1NC(=O)NNc1cc(F)ccc1F	921957786	UWECDGIBOLUIKZ-YPMHNXCESA-N	315.320	1.785	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C(C)(C)c1ccccc1)[C@@H]1CCC(=O)N1	859297619	AAFARXRDYNYDNZ-AAEUAGOBSA-N	317.389	1.026	50	20	DDGD	
CC(C)[C@](C)(O)CNC(=O)NC[C@@]1(C)C[C@@H]1Br	856956644	SJARWZBUIWAAOR-MVWJERBFSA-N	307.232	1.866	50	20	DDGD	
C[C@@H](CO[C@@H]1CCOC1)NC(=O)NNc1cc(F)ccc1F	921387248	DUKKCEZMBNIFOS-GXSJLCMTSA-N	315.320	1.785	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCC(=O)c1c(F)cccc1F	854929821	TYMGUSWRGVBILN-UHFFFAOYSA-N	315.345	1.395	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C1COC[C@@H]1CC	853265620	AVMDCKBRDKUHKD-LBPRGKRZSA-N	306.362	1.993	50	20	DDGD	
CC[C@@H](Cc1ccc(F)cc1)NC(=O)NNC(=O)c1cn[nH]c1	858600716	TUFFRXJDTXFXER-ZDUSSCGKSA-N	319.340	1.514	50	20	DDGD	
CC(C)(C)c1nc(C=NNC(=O)CN2CCCC2=O)cs1	920371096	PNBQOYSUBOZJCI-UHFFFAOYSA-N	308.407	1.513	50	20	DDGD	
Cn1nnc2c(C(=O)NC[C@]3(C)C[C@@H]3Br)ccnc21	857388166	QFBLCTKGOMEEQT-UFBFGSQYSA-N	324.182	1.267	50	20	DDGD	
CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)NNc1ccc(C)nn1	852691398	GYVTUODVFDUHMY-IAQYHMDHSA-N	321.381	1.533	50	20	DDGD	
CCN(CC)[C@H](CNC(=O)NNC(=O)c1cn[nH]c1)CC(C)C	858276152	PUXJKTYTCFILFM-ZDUSSCGKSA-N	324.429	1.110	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1nc(Cl)ccc1F)C1CC1	759812642	YAKMMLCUWOZPHA-LURJTMIESA-N	316.789	1.782	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)CCl)CC[C@@H]1C(=O)OC(C)(C)C	859307753	IUFBXYHURQRPCZ-ZJUUUORDSA-N	311.831	1.812	50	20	DDGD	
CC(=O)NC[C@H]1CN(C[C@H](CBr)C2CC2)CCO1	859146111	ROPCBEZNTFDHEA-STQMWFEESA-N	319.243	1.244	50	20	DDGD	
CC[C@@H](Cc1ccccc1)C(=O)NNC(=O)Cc1cc[nH]n1	755276995	OIURXXPHXHXNTA-ZDUSSCGKSA-N	300.362	1.369	50	20	DDGD	
COC[C@@](C)(O)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	754989872	SVGSQBHYBBQUMJ-LLVKDONJSA-N	303.702	1.089	50	20	DDGD	
Cc1c(COC(C)(C)C)cccc1NC(=O)NNC(=O)CO	756853923	ATNGMMRCBRZWDI-UHFFFAOYSA-N	309.366	1.455	50	20	DDGD	
Cc1nnccc1C(=O)NNC(=O)c1ccc(Cl)cc1F	753185501	GZUYQBNALNIZOW-UHFFFAOYSA-N	308.700	1.652	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)Cn2cnc3ccccc32)cn1	920985529	QIYMYMVSHYDYQA-UHFFFAOYSA-N	310.361	1.793	50	20	DDGD	
CC1CC(CNC(=O)NNc2ncc(Br)cn2)C1	856901233	VDUJRHJKIAAPQS-UHFFFAOYSA-N	314.187	1.911	50	20	DDGD	
C[C@H]1CC(=NNC(=O)C(=O)NC2CC2)CN1Cc1ccccc1	757569940	UBLLGEPQSDKMON-LBPRGKRZSA-N	314.389	1.032	50	20	DDGD	
CC(C)n1ccc(CC(=O)NNC(=O)c2cccc(F)n2)n1	856424431	LMNBEDOFODBODK-UHFFFAOYSA-N	305.313	1.002	50	20	DDGD	
CC1(C)OCC(NC(=O)NNC(=O)CCc2ccccc2)CO1	758734798	HMSZLMDWNQUCNF-UHFFFAOYSA-N	321.377	1.101	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccc(OCCCOC)c1C	935291209	MLKGBPCUZOWOCG-UHFFFAOYSA-N	323.393	1.716	50	20	DDGD	
CSCC1CCN([C@H](C)C(=O)NNC(=O)CC(C)C)CC1	932588845	BHTMJSPTFATWPE-GFCCVEGCSA-N	315.483	1.643	50	20	DDGD	
O=C(COC(=O)CCC1CCC1)NNC(=O)c1ccccc1	750388655	APZAYEZDUMLUTN-UHFFFAOYSA-N	304.346	1.571	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=C2CCC(C(=O)O)CC2)c1	853426395	RQYDXIFRPJIEFM-UHFFFAOYSA-N	304.302	1.745	50	20	DDGD	
CC(C)=CCOc1cccc(CC(=O)NNc2cnnn2C)c1	857270818	PPBLRMZMXHXRML-UHFFFAOYSA-N	315.377	1.846	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C2(OC)CCCC2)c1O	754185520	NFYUFXBXRMUFPS-UHFFFAOYSA-N	308.334	1.121	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@H](CO)CC2CC2)C[C@@H]1Br	856960846	UQGVBKWUVHWJTA-NTZNESFSSA-N	319.243	1.868	50	20	DDGD	
C[C@@]1(CNC(=O)c2cnc3nccn3c2)C[C@@H]1Br	869357264	PSUQFEFDCZITDN-CABZTGNLSA-N	309.167	1.633	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)[C@H]1CCSC1	762544346	AHPUQMLHIVHOPO-VIFPVBQESA-N	300.405	1.286	50	20	DDGD	
CN(NC(=O)c1cncc(N2CCCC2)n1)C(=O)OC(C)(C)C	868857545	STLIITHOJJXGFU-UHFFFAOYSA-N	321.381	1.589	50	20	DDGD	
C[C@@H](NNC(=O)CCS(=O)(=O)C1CCCC1)C(F)(F)F	862310313	UZDXONFZXKETKU-MRVPVSSYSA-N	316.345	1.306	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1C[C@H](OC)C1(CC)CC	762604745	PHHURMYSOQRJLT-ZDUSSCGKSA-N	311.426	1.989	50	20	DDGD	
CN1CCC(=NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1=O	761827113	AQYMZAOQSCVIAI-UHFFFAOYSA-N	315.308	1.164	50	20	DDGD	
COC(=O)c1ccc(S(=O)(=O)NCC(Cl)Cl)cc1	867471857	WETAWUNEMJTTSY-UHFFFAOYSA-N	312.174	1.555	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)c1	863857567	RIYRENORNNUBKL-LBPRGKRZSA-N	313.361	1.225	50	20	DDGD	
CCCCC[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)C(C)C	863462153	JAPPTWJRIMAHIC-LLVKDONJSA-N	306.428	1.031	50	20	DDGD	
CCO[C@H]1CCCC1=NNC(=O)COc1ccccc1C#N	766433785	OSDFGUGPJAYMBQ-HNNXBMFYSA-N	301.346	1.998	50	20	DDGD	
CCC[C@@H](C(=O)NNC(=O)Cc1cc(C)[nH]n1)c1ccccc1	869013349	XBTOOWNCKGHKLZ-OAHLLOKOSA-N	314.389	1.992	50	20	DDGD	
COc1cc(OS(=O)(=O)CBr)ccc1C#N	767619480	LPXQDMMERZVDIU-UHFFFAOYSA-N	306.137	1.628	50	20	DDGD	
C[C@H](NNC(=O)C(=O)c1ccc2c(c1)CCC2)C(F)(F)F	862308290	BUJIBOQBFXFLEU-QMMMGPOBSA-N	300.280	1.930	50	20	DDGD	
CC(C)(C)c1[nH]cnc1C(=O)NNC(=O)NC1CCCCC1	864461067	MHJNRGHIMRQGRN-UHFFFAOYSA-N	307.398	1.984	50	20	DDGD	
O=C(NNC(=O)c1ccncc1F)c1nc2ccccc2s1	769622589	FPKBITYHCZMGJD-UHFFFAOYSA-N	316.317	1.905	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1	763515030	GAYVJXGRZQBZNE-UHFFFAOYSA-N	313.313	1.585	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cncc(Cl)n2)c1	760816236	UWHZLYKFBQOIDN-UHFFFAOYSA-N	301.693	1.076	50	20	DDGD	
CC(C)(C)[C@@H](O)C(=O)NNC(=O)c1nc2ccccc2s1	874913632	GHQBXHWIQHSNMG-JTQLQIEISA-N	307.375	1.464	50	20	DDGD	
CC[C@@H](O)[C@H](C)C(=O)NNc1cncc(Br)c1	1119533466	XMUFVDBELPAGDN-OIBJUYFYSA-N	302.172	1.694	50	20	DDGD	
C[C@]1(CNC(=O)N2C[C@H]3COC[C@H]3C2)C[C@H]1Br	873078463	KFGFLUCEXUVVMG-DTHBNOIPSA-N	303.200	1.448	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H]2CCSC2)c1	762036353	NDWJUOGDGRBHPF-LBPRGKRZSA-N	322.386	1.052	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CCC(=O)c2ccccn2)n1	771736899	OMEBJTKESNDBRD-UHFFFAOYSA-N	319.752	1.940	50	20	DDGD	
CC1(C(=O)NNC(=O)CCc2ccccc2O)CC(F)(F)C1	878749918	KQVWOZOAEUFDGV-UHFFFAOYSA-N	312.316	1.908	50	20	DDGD	
CCN(CCNC(=O)NN(C)C(=O)OC)c1ccccc1C	875083339	KPTUPLVHXSLDOS-UHFFFAOYSA-N	308.382	1.734	50	20	DDGD	
CCCn1cc(C(=O)NNc2ccc(C(F)(F)F)cn2)nn1	775247968	LXYMJSUIPBCUAI-UHFFFAOYSA-N	314.271	1.859	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H]2c3c[nH]nc3CC[C@@H]2C)n1	878039026	VUPRLQWBUFUFGU-ISVAXAHUSA-N	300.366	1.626	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@H]1C(=O)O)c1cc2c(s1)CCC2	872832143	VFWBVSFJBSHJAL-VHSXEESVSA-N	322.386	1.499	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)COCC(F)(F)F	777773062	GQPMOSNWZXCEEW-UHFFFAOYSA-N	306.240	1.495	50	20	DDGD	
C[C@H]1CCC[C@H](CC(=O)NNc2nc(O)c3cnn(C)c3n2)C1	770979025	CDXRTDOFONBPKJ-UWVGGRQHSA-N	318.381	1.728	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C\c1ccccc1F	771941471	SIUSHUUKBOZLOH-HSTULFTRSA-N	308.309	1.328	50	20	DDGD	
O=C(NN=C[C@@H]1CCC(F)(F)C1)[C@@H]1CN2CCC[C@@H]2CO1	872388587	KPWPOMWTQGQAQC-UTUOFQBUSA-N	301.337	1.387	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)CCC(C)(F)F)cn1	874954303	RVIZDPZGVDAWKR-UHFFFAOYSA-N	318.349	1.843	50	20	DDGD	
O=C(NNc1ccc(-n2cccn2)nn1)NOC1CCCCC1	779692183	CAHDACKCOLHKKW-UHFFFAOYSA-N	317.353	1.553	50	20	DDGD	
CC1=CCC[C@H](C)[C@@H]1C=NNC(=O)[C@@H](C)NS(C)(=O)=O	773207005	JVBCJBUIPLWOIV-QJPTWQEYSA-N	301.412	1.019	50	20	DDGD	
CCCCn1cc(CNC(=O)NN=c2cc[nH]c(C)c2)c(C)n1	875454916	LIYWFLDULRLXMS-UHFFFAOYSA-N	316.409	1.943	50	20	DDGD	
Cn1ncc([N+](=O)[O-])c1C(=O)NN=c1cc[nH]c2ccccc12	777521954	MRRYWHMRGBDZRK-UHFFFAOYSA-N	312.289	1.055	50	20	DDGD	
CC[C@H]1C[C@H](C(=O)NNC(=S)Nc2ccccn2)CCO1	779939139	UCDABBQYTUTUCM-MNOVXSKESA-N	308.407	1.604	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCCC[C@H]1N1CCCCC1	779818377	PQIDBMLESMKDAK-CYBMUJFWSA-N	310.398	1.243	50	20	DDGD	
Cc1cccc2c(=O)c(C(=O)NNC(=O)c3cccn3C)c[nH]c12	776100663	UICNVXXIJDZAGQ-UHFFFAOYSA-N	324.340	1.250	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc3ccccc3n2)cc(O)n1	777273850	GAWBODAXLGWXST-UHFFFAOYSA-N	322.324	1.719	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1cc(O)nc(C2CC2)c1	771737050	ATQUMLGJCRSPDB-UHFFFAOYSA-N	315.289	1.725	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc(-c2cn(C)nn2)c1	880139652	BQFNKGMLXBJFGM-UHFFFAOYSA-N	304.354	1.097	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)N1CCC[C@@H](CF)C1	883460741	FLVGJPACAKTCMM-ZDUSSCGKSA-N	323.368	1.878	50	20	DDGD	
Cc1ccc(O)c(C(=O)NNc2ccccc2S(N)(=O)=O)c1	788230112	GYRAHVIPRQILMJ-UHFFFAOYSA-N	321.358	1.105	50	20	DDGD	
CC(C)[C@@H]1CCCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1	781986580	UYXXAAZPIDEVEJ-CQSZACIVSA-N	321.396	1.955	50	20	DDGD	
C[C@H](O)[C@H]1C[C@H](C)CCN1S(=O)(=O)CBr	785532752	YPHRTHZUJGLTFL-HRDYMLBCSA-N	300.218	1.150	50	20	DDGD	
CS[C@@H](CNC(=O)NNC(=O)Cc1cccnc1)C(C)(C)C	784289455	IACXEWMAWCYPMS-LBPRGKRZSA-N	324.450	1.732	50	20	DDGD	
CC1(C)C[C@@H](NC(=O)NNC(=O)C2CCOCC2)C(C)(C)O1	883557462	BFGWXTZIICONFZ-LLVKDONJSA-N	313.398	1.090	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1COc2cc(C)c(C)cc21	887146796	LFPCUGCLPALYKO-CQSZACIVSA-N	300.358	1.730	50	20	DDGD	
O=S(=O)(CCCCl)NCc1nc(-c2ccccc2)n[nH]1	881854633	DYCLPDNPQWCYJP-UHFFFAOYSA-N	314.798	1.520	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)C2CCOCC2)c(C)c1	883208509	IFZYPUITUBMHIP-UHFFFAOYSA-N	319.405	1.603	50	20	DDGD	
Cc1ccccc1C(=O)NNc1ccccc1S(N)(=O)=O	788230223	JZVHGZRHEMAYIS-UHFFFAOYSA-N	305.359	1.399	50	20	DDGD	
CCc1nn(C)c(Cl)c1C(=O)NNC(=S)NC(C)(C)C	899996568	NMFAFFMQAQPATE-UHFFFAOYSA-N	317.846	1.543	50	20	DDGD	
Cn1nc2c(c1C(=O)NNc1cnnc3ccccc13)CCC2	894892680	BIFQABMNCSTZEG-UHFFFAOYSA-N	308.345	1.609	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2csc3ccccc23)CC1	788167224	ZCNUNTYOTGACAY-UHFFFAOYSA-N	318.402	1.503	50	20	DDGD	
Cc1nc(N2CCOCC2)ccc1NC(=O)NNC(=O)C(C)C	782588911	XXLLGBOMGGJGPM-UHFFFAOYSA-N	321.381	1.035	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2nccnc2Cl)cc1	784776076	AACDDYSIIDVVRL-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
Cc1cnccc1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	786040919	XOFYWVWPEBJTEH-NSHDSACASA-N	307.350	1.129	50	20	DDGD	
COc1cccc(CNC(=O)COC(=O)/C(C#N)=C/C2CC2)c1	786675199	GNBHXJJQJDTIGN-VGOFMYFVSA-N	314.341	1.715	50	20	DDGD	
Cc1ccc2ncc(C(=O)NNc3ncccc3C)c(=O)n2c1	791215704	BPWFRMDMDMCRKL-UHFFFAOYSA-N	309.329	1.463	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2c(F)cc(F)cc2F)n1	794073079	WDCUILVYARZUSW-UHFFFAOYSA-N	309.247	1.882	50	20	DDGD	
COc1ccc(NNC(=O)c2csc(O)n2)c([N+](=O)[O-])c1	792240719	ZLAODSMAMPVBTC-UHFFFAOYSA-N	310.291	1.522	50	20	DDGD	
COCCOCCC(=O)NNc1ccc(Cl)c(OC)c1	790171517	UNOBTIDFSJRTIY-UHFFFAOYSA-N	302.758	1.845	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1ccn(CC(F)F)n1	793077004	YQRLUKFIBDMFIL-UHFFFAOYSA-N	324.378	1.214	50	20	DDGD	
Cc1ccc(-c2ccc(C)c(NC(=O)NNC(=O)CO)c2)o1	797655325	HKFJHJQJBMWBAW-UHFFFAOYSA-N	303.318	1.708	50	20	DDGD	
COCC(=O)NNC(=O)Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1	799451632	BNWTZKBCMAQLJW-GUBZILKMSA-N	324.406	1.846	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)c2ccncc2)c1F	794606018	VXLPIPGDCDWSKE-UHFFFAOYSA-N	317.320	1.623	50	20	DDGD	
C[C@H](NC(=O)NNc1nncc(N)c1Cl)C1CCOCC1	1319763208	MEIBFOCYMOFQMV-ZETCQYMHSA-N	314.777	1.153	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cnc(-c2ccccc2)nc1	1318021389	BENQRMFJJIKDDA-UHFFFAOYSA-N	315.402	1.661	50	20	DDGD	
Cc1ccccc1C(F)(F)C(=O)NNC(=S)NC(C)C	1319615236	BTXXNQUEYPSNOI-UHFFFAOYSA-N	301.362	1.991	50	20	DDGD	
O=S(=O)(CBr)N1CCC[C@@H](c2ncc[nH]2)C1	272865124	YIGLAKWWBNXOFZ-MRVPVSSYSA-N	308.201	1.271	50	20	DDGD	
O=C(NC1CC1)[C@@H]1CCCN(CCI)C1	1320882998	YMAMUFWCHWEIQS-SECBINFHSA-N	322.190	1.412	50	20	DDGD	
CO[C@]1(C)C[C@H](N[C@@H](C)C(=O)NNC(=O)CC(C)C)C1(C)C	1327999376	FWAXPPOTGQAOBY-MQIPJXDCSA-N	313.442	1.362	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H](c1ccccc1)C1CCC1	1323454353	JUZQXGGQISTIJF-LBPRGKRZSA-N	305.334	1.031	50	20	DDGD	
Cc1nn(C)cc1CCC(=O)NNc1ccc(F)c([N+](=O)[O-])c1	1326183188	PEMGTSXKDCFVQZ-UHFFFAOYSA-N	321.312	1.852	50	20	DDGD	
CC[C@@H](NC(=O)c1cccc(CCl)c1)C(=O)N1CCOCC1	1338903089	RMBUVMUOZWGIBP-CQSZACIVSA-N	324.808	1.793	50	20	DDGD	
C[C@@]1(Cn2nnnc2N2CCC(F)(F)C2)C[C@@H]1Br	1334659231	VIWNCNKRSVHMIU-CBAPKCEASA-N	322.157	1.692	50	20	DDGD	
COCC1(C(=O)NNc2ccc(C(C)(C)C)nn2)CCOCC1	1347350865	BSSJJFUYOQUUJG-UHFFFAOYSA-N	322.409	1.660	50	20	DDGD	
CCn1nccc1CNC(=O)NNc1ccc(C(C)(C)C)nn1	1261642593	NZMZISTUYMNQHY-UHFFFAOYSA-N	317.397	1.817	50	20	DDGD	
CCNc1ncc(C(=O)NNC(=O)NCC2CC2)cc1Cl	1345691330	KOVVFJVQKROPRI-UHFFFAOYSA-N	311.773	1.521	50	20	DDGD	
C[C@]1(C(=O)NCC2(C#N)CCOCC2)C[C@H]1Br	1514976919	CSHLLZZVZXBPHT-KOLCDFICSA-N	301.184	1.596	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)CC[C@@H]1C[C@H](C(=O)O)CO1	1607790213	HKBKUJWMVIGWMK-CMPLNLGQSA-N	310.325	1.847	50	20	DDGD	
Cc1ccc([C@@H](CNS(=O)(=O)CCCCl)C(=O)O)cc1	1600376874	NBTRIAZVVZFZMK-GFCCVEGCSA-N	319.810	1.712	50	20	DDGD	
CCCCCNC(=O)/C(C#N)=C\c1cccc(-c2nn[nH]n2)n1	1604180049	JAFMRLGYRMJOGJ-LUAWRHEFSA-N	311.349	1.475	50	20	DDGD	
Cc1ccc(C(=O)O)c2c1N(S(=O)(=O)CCl)CCC2	1600349721	LQEKBSHPHJVICA-UHFFFAOYSA-N	303.767	1.972	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2C[C@H]23)cc1	1602127261	LIJNCLCSLMCBGU-QPGZIWCOSA-N	315.373	1.984	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)cc1	1603968565	IWDPNSUKYSZXOQ-QWHCGFSZSA-N	304.346	1.511	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2cccc(C(=O)O)c2)nn1C	1603990298	UVHSSVYBRHYGFD-UHFFFAOYSA-N	302.334	1.999	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2sccc2C(=O)O)c1	1607894562	DAEJPJHSSOCDLC-UHFFFAOYSA-N	320.330	1.232	50	20	DDGD	
CCOC(CC(=O)NNc1cccc(C(=O)O)c1F)OCC	1610026569	GEAOZKJPHQLKOI-UHFFFAOYSA-N	314.313	1.756	50	20	DDGD	
CC(CCCO)=NNC(=O)[C@H]1CCCO[C@H]1c1nccn1C	1549311005	PKJYFRCJNBQYQE-QWHCGFSZSA-N	308.382	1.152	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C(=O)NN=C1CCCOCC1	1549308549	CFZTYHXLTGXEKD-UONOGXRCSA-N	320.393	1.561	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@H]1C(=O)NN=Cc1cnsc1	1549904617	KQOYBVANGYUHJZ-NEPJUHHUSA-N	319.390	1.495	50	20	DDGD	
COC[C@]1(C(=O)NNc2cc(F)cc(F)c2F)CCCCN1	1578976507	ALWNGJGWONZRHF-AWEZNQCLSA-N	317.311	1.706	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@H]2CC[C@H](N)CC2)cc1	1579228480	LTBGQNVRPQKOGO-XYPYZODXSA-N	321.381	1.301	50	20	DDGD	
CC(COC(C)C)=NNC(=O)c1cccc(-c2nn[nH]n2)c1	1589885846	XANQKOJHTIRWBX-UHFFFAOYSA-N	302.338	1.397	50	20	DDGD	
C[C@@H](C(=O)O)N(C1CCC1)S(=O)(=O)CC(C)(C)CCl	1589479451	SLPQBRKYFKFSCO-VIFPVBQESA-N	311.831	1.909	50	20	DDGD	
N#CCCC[C@H](N)C(=O)NNC(=O)c1cccc2ncccc12	1580049617	XJDTZIOXRNAXET-ZDUSSCGKSA-N	311.345	1.017	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1ccc(-c2nn[nH]n2)cc1Cl	1588772138	LGRRWLGKPSTANZ-UHFFFAOYSA-N	322.756	1.131	50	20	DDGD	
C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](F)Cl	1847813184	XFSNYBKUOGTTKC-NOOOWODRSA-N	318.776	1.314	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2	1841667338	GDLZWKYDSBSQDN-GFCCVEGCSA-N	323.824	1.901	50	20	DDGD	
COC(=O)[C@@H]1CN(C(=O)C2CCC(Cl)CC2)C[C@H]1C(=O)O	1598806295	GNBFPXMHJVVDLW-JPPWEJMLSA-N	317.769	1.116	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)cc1	1594106029	KEKWRAJELVXMQI-VHSXEESVSA-N	321.333	1.349	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@H](Cc1ccccc1)C(=O)O	1596862081	GCTDLRCEQBRYJE-UQRISPGASA-N	302.330	1.490	50	20	DDGD	
CN(C)N(C(=O)c1ccccn1)c1nc(CC(=O)O)cs1	1598257871	UVZKQVRYIGPHGH-UHFFFAOYSA-N	306.347	1.289	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NC2CC(CC(=O)O)C2)nn1	1590493363	KEPZQLWVUVTYAU-UHFFFAOYSA-N	321.381	1.654	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)c1ccc(-c2nn[nH]n2)cn1	1593166938	RHBNKEBPXLSDHI-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2ccc(CC(=O)O)cc2)CCO1	1594256981	BKTNKAOEXBRMTH-MFKMUULPSA-N	307.350	1.507	50	20	DDGD	
Cc1ccc(C(=O)NCCCSC#N)cc1-c1nn[nH]n1	1592127372	MFEYPSHMUTURQN-UHFFFAOYSA-N	302.363	1.509	50	20	DDGD	
O=C(Cc1ccccc1O)NN=Cc1cccc(F)c1C(=O)O	1776094473	VDISHGVXCRKBCC-UHFFFAOYSA-N	316.288	1.922	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NN=Cc1cccc(OCC(=O)O)c1	1776102569	SOWKFIXQGILPAB-STQMWFEESA-N	306.318	1.025	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCOC[C@H]1CC(=O)c1ccco1	158074237	NFJDXVWPDBMIJD-KXXVWKPMSA-N	318.329	1.524	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cccc(C#N)c1)C1CCCC1	164842986	RTHPDNJSRQQQIN-UHFFFAOYSA-N	314.389	1.584	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])C1=Cc2ccccc2OC1	153516384	UFNVZPGMGGNCRH-UHFFFAOYSA-N	312.285	1.909	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1c[nH]c2c(C)cccc12	157805250	LZULQNJITPEJFT-UHFFFAOYSA-N	302.403	1.700	50	20	DDGD	
CCn1cnc(C(=O)N(C)NC(=O)OCc2ccccc2)c1	862289825	XZEYBXBSHBYLKV-UHFFFAOYSA-N	302.334	1.816	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2ccn(C)n2)c1C	6632428	VBEDBHVMLACLEL-UHFFFAOYSA-N	303.391	1.668	50	20	DDGD	
N#CC1(C(=O)NNC(=O)c2cccc3ncccc23)CCOCC1	109143426	RAKIQNBSEQYUJQ-UHFFFAOYSA-N	324.340	1.316	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)c1n[nH]c2ccccc2c1=O	113431342	KKCWLFLESOHELV-UHFFFAOYSA-N	316.267	1.958	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Cc2c[nH]c3cc(F)ccc23)cn1	117680417	PLYJDDOPLQBVHY-UHFFFAOYSA-N	315.308	1.044	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)co1	119262566	CNRNCLWLNPLPOB-UHFFFAOYSA-N	312.329	1.722	50	20	DDGD	
Cc1c(Br)cccc1C(=O)NNC(=O)CN(C)C	175945733	BXHZUMWCUFCUDG-UHFFFAOYSA-N	314.183	1.080	50	20	DDGD	
CC(C)Cc1ccc(CC(=O)NNC(=O)c2cnn(C)c2)cc1	117680115	PCYYSRXZAAALCS-UHFFFAOYSA-N	314.389	1.622	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(N2CCCC2)nc1	176952568	YGHCOIYZXGCRCJ-MLJKTZRHSA-N	314.389	1.740	50	20	DDGD	
COc1ccc(CCCC(=O)NNC(=O)c2cnn(C)c2)cc1	117679145	ZGCYDDKJBYORGG-UHFFFAOYSA-N	316.361	1.213	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1ccnc(-n2cncn2)c1	179011794	RAIZYZNDCYPPAM-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C1CCOCC1	69753268	VGIYAXZDUXJEOZ-UHFFFAOYSA-N	322.361	1.038	50	20	DDGD	
O=C(CCn1ccnn1)NNc1ccc(OC(F)(F)F)cc1	178991043	LWDOPIKNWHUROZ-UHFFFAOYSA-N	315.255	1.710	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cccnc2Cl)cc1	61474781	LTXFDRRZPZHNFX-UHFFFAOYSA-N	300.705	1.681	50	20	DDGD	
COC(=O)CSCC(=O)NNC(=O)c1ccc(Cl)cc1	22199986	SOQUJBIROZGWIS-UHFFFAOYSA-N	316.766	1.007	50	20	DDGD	
Cn1nc(C(=O)NNc2ccc(Cl)cc2Cl)ccc1=O	178875569	OFFQVIHGYSHGJG-UHFFFAOYSA-N	313.144	1.844	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)COc2ccc(C#N)cc2)CC1	174960830	COBQSWRBQJXPKU-UHFFFAOYSA-N	316.361	1.458	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)c2ccccc2)c(O)c1	66047841	FNBIMRWQZQJPIT-UHFFFAOYSA-N	313.357	1.598	50	20	DDGD	
Cc1cc(C)c(CC(=O)NNc2ncnc3nc[nH]c23)c(C)c1	179856281	ZGRQJEUDNNPUNN-UHFFFAOYSA-N	310.361	1.964	50	20	DDGD	
CCOc1ccc(CC(=O)NNC(=O)NCc2ccco2)cc1	65177637	RDSZXNGZWGTXRZ-UHFFFAOYSA-N	317.345	1.751	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1csc(-c2ccccc2)n1	170796332	FEBNLRNOFQNHQK-UHFFFAOYSA-N	304.375	1.133	50	20	DDGD	
Cc1nn(C(F)F)c(C)c1CC(=O)NNc1ncc(F)cn1	122857210	DSZKJFVMWLIPCU-UHFFFAOYSA-N	314.271	1.510	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)COC1CCCC1	63638859	ZVCCAEROLQMCJE-UHFFFAOYSA-N	322.361	1.181	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1cnsn1	188175664	JEMOZBOXEPJSPV-UHFFFAOYSA-N	305.348	1.209	50	20	DDGD	
O=C(CCNc1ccccc1[N+](=O)[O-])NNc1ccncc1	180468014	WWLMIQIVWSIDBM-UHFFFAOYSA-N	301.306	1.935	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)Cc2ccncc2)CCCC1	127956173	IFRZKHJSKAZSQJ-UHFFFAOYSA-N	304.394	1.925	50	20	DDGD	
CS(=O)(=O)c1cccc(NC(=O)NNc2ccncc2)c1	183065337	DNINOWYEHSHWEC-UHFFFAOYSA-N	306.347	1.634	50	20	DDGD	
CN(C[C@@H]1CCOC1)C(=O)NNC(=O)CCCc1ccccc1	78321810	FGJNWSANHUQILZ-HNNXBMFYSA-N	319.405	1.718	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)c2ccc3ccccc3n2)cn1	182589723	GIZJAESSVBYHQH-UHFFFAOYSA-N	323.356	1.916	50	20	DDGD	
COCc1cccc(C(=O)NNC(=O)NCc2ccco2)c1	122835935	IFNCERDHWUDRQB-UHFFFAOYSA-N	303.318	1.570	50	20	DDGD	
C=CCNC(=S)NNC(=O)C[C@@H](C)C(=O)c1cccc(F)c1	72529687	JWLWJOVLMDUFTD-SNVBAGLBSA-N	323.393	1.716	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC[C@@H](C)N2CCCCC2)o1	182698391	HNJYGNDSYYDCRX-GFCCVEGCSA-N	322.409	1.797	50	20	DDGD	
CC(=O)CC(C)(C)CC(=O)NNC(=O)c1ccc(C)cc1O	188357453	NMUAYZJZZJWCSS-UHFFFAOYSA-N	306.362	1.857	50	20	DDGD	
Cn1c(NNC(=O)C2=CCCCO2)nc2ccccc2c1=O	73647539	NUSXVBCXKLPNRA-UHFFFAOYSA-N	300.318	1.071	50	20	DDGD	
CC(C)CCn1ccc(NC(=O)NNC(=O)c2cccnc2)n1	183222607	OSFJBILCDFLGJB-UHFFFAOYSA-N	316.365	1.791	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1cncc(Br)c1	184746389	PPKHNTUTEITFNM-WMZJFQQLSA-N	311.135	1.941	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2nc3ccccn3n2)CCCS1	189552331	YCPZULRBZQJPOU-ZDUSSCGKSA-N	306.395	1.641	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(N)=O)c1C	214776817	RJQLUFLHADGNIE-UGMNDJHYSA-N	319.361	1.075	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cccc(C#N)c1)C1CCOCC1	134731938	QISPUJIQSILRBY-NSHDSACASA-N	316.361	1.317	50	20	DDGD	
CC[C@H](NC(=O)NNc1nc2ccccn2n1)c1ccncc1	189249607	GTTBWYNFEDBOES-LBPRGKRZSA-N	311.349	1.902	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C[C@@](C)(O)c2ccccc2)n1	182544880	JOIXOJZMRIVLQB-MRXNPFEDSA-N	316.361	1.535	50	20	DDGD	
C=C[C@@](C)(CC)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1	134908403	GVICNKUAOWEXRH-HNNXBMFYSA-N	314.349	1.026	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1cccc(O)c1O	192910260	FOWPMLRUAMUXIB-UHFFFAOYSA-N	311.297	1.654	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)O)c(C)n1-c1ccccn1	190074788	OEWMOCCHNOKBLR-UHFFFAOYSA-N	316.361	1.021	50	20	DDGD	
CCCCOCCNC(=O)NNC(=O)CCc1ccccc1	195168129	PVPSCSMZPHTPCI-UHFFFAOYSA-N	307.394	1.766	50	20	DDGD	
CC(C)Cn1ncc2cc(C(=O)NNC(=O)C(C)(C)C)cnc21	131799256	HSTMLZJVRKGPDG-UHFFFAOYSA-N	317.393	1.894	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccoc2Br)[nH]n1	193729214	FVOVMVFUDKUWTL-UHFFFAOYSA-N	313.111	1.148	50	20	DDGD	
N#C/C(=C/c1ccc2c(c1)NC(=O)CO2)C(=O)NC1CCCC1	195300862	GUKSXQLRNTXYGB-GHXNOFRVSA-N	311.341	1.983	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NNC(=O)c1ccncc1	194029722	ISENZEKUCOPLBB-UHFFFAOYSA-N	309.329	1.201	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)NCc1ccco1)c1ccccc1	138859087	RSBWQARFWSFGBU-CQSZACIVSA-N	317.345	1.888	50	20	DDGD	
COCCCOc1cccc(/C=C(\C#N)C(=O)NCCOC)c1	195193493	ZBRCGFLJAABYAM-RVDMUPIBSA-N	318.373	1.771	50	20	DDGD	
Cc1ccc(NNC(=O)c2c(C)oc3ncn(C)c(=O)c23)cc1	195520192	OSZQNMAAIKOBDY-UHFFFAOYSA-N	312.329	1.900	50	20	DDGD	
C[C@H](CO[C@H]1CCOC1)NC(=O)/C(C#N)=C\c1ccc(O)cc1	194735265	DWCLMBWZHBBQRA-DZLSFDJASA-N	316.357	1.609	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)c2cc(Cl)ccc2O)cn1	80286826	MNMGDQSECOLAJO-UHFFFAOYSA-N	319.748	1.753	50	20	DDGD	
Cc1sc(-c2ccco2)nc1C(=O)NNC(=O)C(C)(C)O	192931251	CUSASBNFDASFCV-UHFFFAOYSA-N	309.347	1.243	50	20	DDGD	
CCn1cc(NC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)cn1	255105653	USQBIKVREKBIKL-ACAGNQJTSA-N	308.345	1.967	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H](C)N1CCSCC1	269673967	JEJWXISAPPJZCS-LBPRGKRZSA-N	307.419	1.193	50	20	DDGD	
CCn1cnnc1CNC(=O)NNc1cccc([N+](=O)[O-])c1C	264000116	ZPSQCNIOSAMKES-UHFFFAOYSA-N	319.325	1.341	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@H]1C[C@H]2CC[C@H]1O2	265076914	VLQIDIQWDZGJMV-GRYCIOLGSA-N	300.318	1.747	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNC(=O)CNc1cccc(OC)c1	263992935	HGDQDHZGBXOOFS-LBPRGKRZSA-N	323.393	1.460	50	20	DDGD	
CS(=O)(=O)CC(=O)NNc1cc(C(F)(F)F)ccc1F	270008170	RAFYOZXAMLAIDZ-UHFFFAOYSA-N	314.260	1.332	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CCc2nc(N(C)C)no2)c1	275439259	DHOSVSBYKLWQMV-UHFFFAOYSA-N	323.328	1.359	50	20	DDGD	
CC(=O)NCc1ccc(S(=O)(=O)N2CC=C(C#N)CC2)cc1	273541163	DZANMOKOJKZBNG-UHFFFAOYSA-N	319.386	1.167	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)CC(C)(C)OC	278657431	BQSCIGNGPLFFOZ-UHFFFAOYSA-N	311.407	1.828	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H]2CCO[C@H](C(C)C)C2)n1	271552485	QVHGTZWSZNZKNR-RYUDHWBXSA-N	323.397	1.623	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)N2CCOCC2)CCC1	276558126	RXKSUTMEOMCMRC-UHFFFAOYSA-N	317.389	1.490	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H]2CCO[C@@H](C)C2)c1	272647598	JLPOIVPTNKTRNO-RYUDHWBXSA-N	321.377	1.914	50	20	DDGD	
C=CCCOCCNC(=O)NNC(=O)CCCc1ccccc1	270381333	FZUHSUPQNXDENN-UHFFFAOYSA-N	319.405	1.932	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CC(C)C)cc1C(=O)N(C)C	273395304	FJRHNBQXPCNAJR-UHFFFAOYSA-N	320.393	1.896	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCC[C@H](C)CO)c1	272665788	OAVRAWXMVJPTHS-NSHDSACASA-N	309.366	1.508	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccccc1N1CCCC1=O	273367736	XFJNUGFZLHATCJ-UHFFFAOYSA-N	316.361	1.766	50	20	DDGD	
O=C(NNC(=O)c1ccnn1CC(F)F)NC1CCCCC1	278892931	DWHHODUKQTUWQS-UHFFFAOYSA-N	315.324	1.425	50	20	DDGD	
CCc1nnc(NC(=O)NNC(=O)c2cccc(C)n2)s1	280468471	GHTDPEONZQPVPJ-UHFFFAOYSA-N	306.351	1.270	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NC[C@@H]1CCCSC1	288104668	WXIXQDUKWNKZBX-LBPRGKRZSA-N	308.407	1.098	50	20	DDGD	
CC(C)CS(=O)(=O)CCC(=O)NNc1cccc(F)n1	286624519	RLASXMHGDFCHCY-UHFFFAOYSA-N	303.359	1.125	50	20	DDGD	
COc1ccccc1N(CCO)CCI	288792791	LIQOCRVTWQFBKB-UHFFFAOYSA-N	321.158	1.929	50	20	DDGD	
CCO[C@H](CCNC(=O)NNC(=O)c1cccc(C)n1)C(C)C	280974735	UBEACBDIWXOVRZ-CQSZACIVSA-N	322.409	1.785	50	20	DDGD	
C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccccn1	284892393	AIROFIXFSKPFAI-JTQLQIEISA-N	322.365	1.003	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc2c(nc1O)CC(C)(C)CC2=O	286226713	FVEFZANCBPNTKX-UHFFFAOYSA-N	321.333	1.285	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)n1	296856842	LFWOHVSINSGKAR-IGQOVBAYSA-N	314.389	1.722	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](C)CCOCc1ccccc1	807608341	ZDMNSYWKVQJJQM-CYBMUJFWSA-N	323.393	1.349	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CC2CC2)c([N+](=O)[O-])cc1OC	294309863	XNQKGUUHALBKFL-UHFFFAOYSA-N	323.305	1.173	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccccc1OC1CC1	806537494	QFUAEJAHBYQLRK-UHFFFAOYSA-N	302.252	1.941	50	20	DDGD	
Cn1nnc2c(C(=O)NNc3ccccc3[N+](=O)[O-])ccnc21	801101682	JEGWSJGLZTUQFB-UHFFFAOYSA-N	313.277	1.028	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCO1)N[C@H]1CCC[C@H]1c1ccccc1	297107979	FQQZVKKNVUZXIX-SOUVJXGZSA-N	317.389	1.832	50	20	DDGD	
CCSc1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)cn1	295588978	OXEMLLLJGYGRLS-NSHDSACASA-N	309.391	1.524	50	20	DDGD	
Cc1ccnc2ccc(C(=O)NNc3ccc(C(N)=O)nn3)cc12	807046089	PCKQRXRNSOXFHM-UHFFFAOYSA-N	322.328	1.189	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN(c2ccccc2F)C1)C1CCC1	290859164	RRKGODPRQZHIPX-GFCCVEGCSA-N	305.353	1.600	50	20	DDGD	
O=C(Cc1ccc(F)cn1)NNC(=O)c1cc2ccccc2o1	807012863	XCUXJWGKRWWGQF-UHFFFAOYSA-N	313.288	1.971	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc(C)sc1C	807369850	MLRSNBRIKOKAHC-UHFFFAOYSA-N	314.407	1.915	50	20	DDGD	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)NNC(=O)CC1CC1	294023465	CLBXNFHBWWXKQI-UHFFFAOYSA-N	316.361	1.156	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCN(C)C2=O)c(Cl)c1	802049256	DAELDGCZYJMURQ-VIFPVBQESA-N	324.768	1.279	50	20	DDGD	
C[C@H](CC(=O)c1ccccc1F)C(=O)NNC(=O)CC1CC1	294042671	FBXXZSFNWWLLPE-SNVBAGLBSA-N	306.337	1.982	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)c(Cl)c1	802026098	MHJKXCKOTXOILZ-UHFFFAOYSA-N	320.736	1.632	50	20	DDGD	
Cc1ccnc(NNC(=O)c2ccc(C(N)=O)c(Cl)n2)c1	807036264	YBLXFIILMVVTQR-UHFFFAOYSA-N	305.725	1.294	50	20	DDGD	
CC(=O)CCc1ccc(O[C@@H](C)C(=O)NNC(=O)N(C)C)cc1	299395530	TXFJPKMHADTUPX-LBPRGKRZSA-N	321.377	1.278	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(Cl)c(Cl)nc1C	805156354	RBQMEKHRYYBEEV-UHFFFAOYSA-N	319.217	1.992	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)N=c1cc[nH]cc1)c1ccccc1	802025877	IHUNCIVHJUPKAD-INIZCTEOSA-N	314.345	1.218	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)Cc1cnn(C)c1C	291991657	LBODYMDXYXYEJS-UHFFFAOYSA-N	301.350	1.432	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCCOC(N)=O)cc1	295035039	WATHJSBYRSXZBM-FMIVXFBMSA-N	303.318	1.204	50	20	DDGD	
CC[C@H]1CCC[C@H]1C(=O)NNC(=O)COc1ccccc1O	294426219	AAAZZJSPKPKSFN-NWDGAFQWSA-N	306.362	1.745	50	20	DDGD	
C[C@@H]1CCC[C@@H](OCC(=O)NNC(=O)N=c2cc[nH]cc2)C1	802028220	OLLQFMKAJTUBTD-DGCLKSJQSA-N	306.366	1.252	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1ccncc1Cl	817326283	UZNWJBZCPRWEEG-UHFFFAOYSA-N	310.785	1.880	50	20	DDGD	
Cn1cc(C(=O)NNc2ncncc2F)c(-c2cccs2)n1	817079115	ILBLKNPOUFYGPZ-UHFFFAOYSA-N	318.337	1.835	50	20	DDGD	
O=C(NN=Cc1ccc(CO)o1)Nc1ccc2c(c1)OCO2	814992868	QPCJJYDUXNHQLQ-UHFFFAOYSA-N	303.274	1.656	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2cccc(C#N)c2)CCC1(F)F	811874775	OWNCJZDFKFIKLA-JTQLQIEISA-N	322.315	1.890	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNC(=O)Cc1ccccc1F	810372293	AQFZWRDMLCBHHB-UHFFFAOYSA-N	310.328	1.740	50	20	DDGD	
CC[C@@H](C)Oc1ccc(C(=O)NNC(=O)c2ccnnc2)cc1	817693717	VPZVTZAPWBDLQX-LLVKDONJSA-N	314.345	1.729	50	20	DDGD	
CCC1(CC)C(=O)NCCC1=NNC(=O)c1sc(N)nc1C	819803924	YSFGQBKRQRMKPZ-UHFFFAOYSA-N	323.422	1.446	50	20	DDGD	
O=C(NNC(=O)c1ccnc(-c2ncc[nH]2)c1)c1ccccc1	814191574	RAKBBAVQOPIQNR-UHFFFAOYSA-N	307.313	1.547	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCC(C)(C)C(=O)O	818625307	YDHHMCYGHVJBSB-UHFFFAOYSA-N	323.349	1.140	50	20	DDGD	
O=C(NN=C1CCN(CCO)CC1)C12CC3CC(CC(C3)C1)C2	819806207	LNEYMWYZUALQCG-UHFFFAOYSA-N	319.449	1.763	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)CC1)c1cccc2cccnc12	814824272	PBYKMSQPKCMJCG-UHFFFAOYSA-N	317.370	1.529	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NNc1nc2ccccc2n1C	816580177	WINAIIFOTOWHPH-NEPJUHHUSA-N	318.377	1.601	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2snnc2C2CC2)n1	810427942	UJBWKHSPTUQMJZ-UHFFFAOYSA-N	305.367	1.028	50	20	DDGD	
CC(C)c1nn(C)cc1C(=O)NNc1ccnc(N(C)C)n1	819881893	PNTYDXLGTDDWBS-UHFFFAOYSA-N	303.370	1.156	50	20	DDGD	
COC(=O)C(C)(C)CC=NNC(=O)CNc1ccc(OC)cc1	814708920	WHRJQXSCXDTDIX-UHFFFAOYSA-N	321.377	1.798	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@@H]1CCCN1C(=O)C(C)(C)C	728608302	SRLGIPCQHCUUAG-NSHDSACASA-N	311.426	1.607	50	20	DDGD	
COc1cc(C(=O)NN(C)[C@@H](C)CO)ccc1Br	823907535	MSGWNYCDRFFERP-QMMMGPOBSA-N	317.183	1.415	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)nc(N)n1	828372225	VAEKJJVJLJOTCR-ONGXEEELSA-N	319.315	1.892	50	20	DDGD	
O=CN1CCC[C@H]1C(=O)NNc1ccccc1C(F)(F)F	820683239	YRSTZKIMKISHKE-NSHDSACASA-N	301.268	1.769	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cccc(Oc2ccncc2)c1	823959770	PDLMYWWWYOXHOP-LBPRGKRZSA-N	301.346	1.831	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc(Cl)c(N)c1Cl	822844566	MBTDFBKXUALIRH-UHFFFAOYSA-N	305.165	1.928	50	20	DDGD	
Cc1cc(NNC(=O)CCc2ccc(N(C)C)cc2)nc(N)n1	828367680	UWAISYYLYCPSNJ-UHFFFAOYSA-N	314.393	1.509	50	20	DDGD	
Cc1nc2c(cnn2C(C)C)cc1C(=O)NN(C)[C@@H](C)CO	823983355	RIODUXYGKJHMIF-JTQLQIEISA-N	305.382	1.278	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NC[C@]2(C)CCOC2)cc(C#N)n1C	490637653	HQJYDXZGNPKFOV-ZRBJYGNNSA-N	312.373	1.655	50	20	DDGD	
CCC[C@@H]1C[C@H]1NC(=O)NNc1cccc(-c2nn[nH]n2)c1	821034842	VIZZDDMSJANIST-BXKDBHETSA-N	301.354	1.681	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C[C@H](n1cccn1)C(F)(F)F	820709876	LYWADFYSCORVTI-VIFPVBQESA-N	306.288	1.570	50	20	DDGD	
CCCNC(=O)Nc1ccc(CC(=O)NNC(=O)OC)cc1	495367752	TXWZPBAQYPLPGN-UHFFFAOYSA-N	308.338	1.148	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cccc2c1OCC2)C1CC1	824446516	MDGNQGPSDFBGCV-SECBINFHSA-N	305.403	1.529	50	20	DDGD	
CCCc1nnc(NC(=O)/C(C#N)=C\c2cnn(C)c2)s1	491085957	SMIHESZFEXGBSA-YHYXMXQVSA-N	302.363	1.770	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)NCC2CC2)c(OC)c1	822782606	XPRWVJYWHZGYKS-UHFFFAOYSA-N	321.377	1.838	50	20	DDGD	
CCc1cc(Br)ccc1NNC(=O)CCC(N)=O	907335676	FIAUSIDMQVUDSY-UHFFFAOYSA-N	314.183	1.720	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC[C@H]1c1ccccc1	827315994	XMFHFARVLJARMU-CFVMTHIKSA-N	317.389	1.989	50	20	DDGD	
CC1(C)C[C@]1(NC(=O)c1cccc(B(O)O)c1)c1ccccc1	585011119	WRQUQPOZGQJYOL-SFHVURJKSA-N	309.174	1.422	50	20	DDGD	
C[C@H](O)C[C@@H]1CCCCCN1C(=O)/C(C#N)=C/c1cnn(C)c1	491158348	DYEHQFFHWKBYJF-LVTPQQFMSA-N	316.405	1.869	50	20	DDGD	
CC(C)(C)[C@H](NC(=O)c1cc(B(O)O)ccc1F)c1ccco1	584947083	FZKFXBLIYUYZTR-CQSZACIVSA-N	319.141	1.616	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC2CC=CC2)cc(-c2nn[nH]n2)n1C	822028657	RJVCNLMNUKAXTE-KPKJPENVSA-N	323.360	1.255	50	20	DDGD	
Cc1cccc(CC(=O)NN(C)[C@@H](C)CO)c1Br	823907032	GAAUMYUWPAIPMG-JTQLQIEISA-N	315.211	1.644	50	20	DDGD	
C[C@H](NC(=O)[C@@]1(C)C[C@@H]1Br)C1=CCN(C)CC1	907282784	FLALAQDNRPKJIC-GAFUQQFSSA-N	301.228	1.927	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCOC3(CCCCC3)C2)cn1	491085362	QNZVUSJHCGRCMJ-OQLLNIDSSA-N	314.389	1.889	50	20	DDGD	
Cc1c(CC(=O)NNc2cnccn2)nnn1-c1ccccc1	734245495	IJFQDUJDYYGHHQ-UHFFFAOYSA-N	309.333	1.052	50	20	DDGD	
O=C(/C=C/[C@H]1CCOC1)NNC(=O)NCc1ccc(Cl)cc1	493435768	RVDVLKOHFPGZRP-UXONFWTHSA-N	323.780	1.763	50	20	DDGD	
CNC(=O)Nc1cccc(C(=O)NNC(=O)C2CCCC2)c1	906085652	YKIZWSYOCINZLC-UHFFFAOYSA-N	304.350	1.389	50	20	DDGD	
CC[C@H](CNCc1ccc(B(O)O)cc1)Oc1ccccc1F	585030998	NZPHJZKUHMBUDL-OAHLLOKOSA-N	317.169	1.453	50	20	DDGD	
COc1ccc([C@@H](NCc2ccccc2B(O)O)C2CC2)cc1	585015368	XVZGOPZKJXOZIG-SFHVURJKSA-N	311.190	1.616	50	20	DDGD	
C[C@]1(C(=O)N2CCC(CC(N)=O)CC2)C[C@@H]1Br	906237697	AFPZPXOUDNDLFS-CABZTGNLSA-N	303.200	1.274	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1CCCOc2c(F)cccc21	585034545	QUQGQSUNYGZGNT-MRXNPFEDSA-N	315.153	1.509	50	20	DDGD	
CCC(=O)NN[C@@H](C(=O)OC)c1ccc(C(F)(F)F)cc1	905746988	GXABRMZMNZRPCY-LLVKDONJSA-N	304.268	1.950	50	20	DDGD	
C[C@H](CNCc1cccc(B(O)O)c1)Oc1ccccc1Cl	585024845	FCNUVNYVBOFVDM-GFCCVEGCSA-N	319.597	1.577	50	20	DDGD	
CC(C)(C)OC(=O)NOCC(=O)NNc1cccc(F)c1F	907095740	UZZPCSCRCPMHTO-UHFFFAOYSA-N	317.292	1.864	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@]1(C)CCCCO1	839459550	NUFUMJXTVRZWKM-KRWDZBQOSA-N	320.389	1.734	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H]2CC23CCOCC3)cc1	836611033	LXCDDIZWTBVFOO-CQSZACIVSA-N	317.389	1.762	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(C2CC2)C1	734286059	YOIFKGFKDOXAIL-LLVKDONJSA-N	305.338	1.458	50	20	DDGD	
CC[C@@H](NC(=O)c1cccc(B(O)O)c1)c1csc(C)c1	585003234	IPIQXVNPCLMBFZ-CQSZACIVSA-N	303.192	1.617	50	20	DDGD	
CC(C)(C)[S@@](=O)CCNC(=O)NNc1ccc(F)cn1	735111781	QVBXKEJWYGITSP-FQEVSTJZSA-N	302.375	1.394	50	20	DDGD	
CCCCC[C@@H](O)C(=O)NNC(=O)CCc1ccc(OC)cc1	832884536	VNEAGHUGBJLCEH-OAHLLOKOSA-N	322.405	1.716	50	20	DDGD	
C[C@H]1CCc2c(F)cccc2[C@H]1NCc1ccc(B(O)O)o1	585027268	YZGYOPPSWDWJTL-QFYYESIMSA-N	303.142	1.512	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2c[nH]nc2C)cc1-n1cccc1	732084475	JTSVXXOOEWZJRX-UHFFFAOYSA-N	323.356	1.892	50	20	DDGD	
CC(C)(C)Oc1ccncc1NC(=O)c1cccc(B(O)O)c1	584964830	JYMBHPQIDDDXFS-UHFFFAOYSA-N	314.150	1.191	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2(C(=O)OC)CC2)cc1F	837059293	RYFJYMGEGRETNT-UHFFFAOYSA-N	310.281	1.009	50	20	DDGD	
O=C(NN[C@H](C(=O)O)c1cccnc1)c1cccc2ncccc12	833149050	YQVKTIOWFRTPCQ-HNNXBMFYSA-N	322.324	1.690	50	20	DDGD	
O=C(c1ccc(Cl)c2cccnc12)N1CC[C@H](B(O)O)C1	585069716	PJWUHQZIRCRUIN-VIFPVBQESA-N	304.542	1.577	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)N(C)C	836620793	GCPFUEFYXSNPPO-GVMDUPDNSA-N	322.453	1.483	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@H]2CCCC(=O)N2)c1F	837061471	HZTXRCNCSGHTBR-SECBINFHSA-N	323.324	1.114	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)[C@H](C)CS(C)(=O)=O	836933635	MKJFPLYGBONJLI-SECBINFHSA-N	304.799	1.772	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccccc2S(C)(=O)=O)cn1	732302807	QVVBTICUACXCCS-UHFFFAOYSA-N	305.359	1.550	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c(F)c1	837693801	XBADFFJFDILIEP-BREBYQMCSA-N	308.309	1.623	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1coc(-c2c(F)cccc2F)n1	910145644	DFFMODYMUXTRMF-QMMMGPOBSA-N	311.288	1.577	50	20	DDGD	
CO[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2O)C12CCC2	838765005	HWCRWWLIMHKRAN-QWHCGFSZSA-N	319.361	1.294	50	20	DDGD	
CO[C@@](C)(CNC(=O)NNC(=O)c1ccc[nH]1)c1ccccc1	838664680	ITYCTJNOQQCNRU-INIZCTEOSA-N	316.361	1.521	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc2nc(O)oc2c1	919810476	HPHVBPYBTZRFDM-UHFFFAOYSA-N	311.297	1.917	50	20	DDGD	
CC(C)CN1CCC[C@@H](CNC(=O)NNC(=O)C2CCC2)C1	746328650	OWGLPOWKJNMPGW-ZDUSSCGKSA-N	310.442	1.485	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1cccc(C(F)F)c1	843653033	CZFNZZCIINOERQ-CABZTGNLSA-N	312.316	1.739	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cn(C)c2ccc(F)cc12	843970279	DBIODOWCLTWNTL-KOLCDFICSA-N	319.336	1.503	50	20	DDGD	
CCOC(=O)c1ccc(C=NNC(=O)Cc2nc(C)cs2)o1	748250446	NALBCNPHMQARLK-UHFFFAOYSA-N	321.358	1.914	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(Br)co1	843663125	WTKSVUUUKACFLI-HTRCEHHLSA-N	317.139	1.228	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@]2(C)CCc3ccccc3C2)cn1	742688535	ZVJDIJYGDPPXNM-KRWDZBQOSA-N	312.373	1.376	50	20	DDGD	
O=C(NNc1cccc2c1CCCC2)[C@H]1CCCS(=O)(=O)C1	845855909	BZECNSPSBPQIGF-ZDUSSCGKSA-N	322.430	1.833	50	20	DDGD	
CC(C)(CNC(=O)NNc1ccc(F)cc1)S(C)(=O)=O	748971735	UMAURYXEYCPWSF-UHFFFAOYSA-N	303.359	1.275	50	20	DDGD	
Cc1cc(OC(=O)[C@H]2CC(=O)N(C3CC3)C2)ccc1[N+](=O)[O-]	917368179	LETHJJBXDDIXGR-JTQLQIEISA-N	304.302	1.820	50	20	DDGD	
COc1ccc(C(=O)NN(C)C[C@@H](C)O)c(OCC(C)C)c1	910151729	DWQNJZJUTXFMHE-GFCCVEGCSA-N	310.394	1.687	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@@H](C)n2ccnc2)c(F)c1	846251339	HFDOURCEEGGPQB-SNVBAGLBSA-N	320.324	1.903	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)N[C@@H]1CC[C@H]2CNC[C@@H]2C1	842012747	AXTUJAOQOWIWMU-GARJFASQSA-N	309.801	1.749	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1noc2ccccc12	847476286	SODJTVJYJYOGPP-ZJUUUORDSA-N	318.333	1.083	50	20	DDGD	
Cc1ccccc1[C@@H]1C[C@H]1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	845379957	NEHODNYZRVFAML-PMOUVXMZSA-N	317.389	1.606	50	20	DDGD	
CC(=O)[C@H](NS(=O)(=O)CBr)c1ccccc1F	841572759	XTMCZDRXSAYHLW-JTQLQIEISA-N	324.171	1.728	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)CCN1C(=O)CCNC1=S	847600302	JXSAUQJJXVXRFS-UHFFFAOYSA-N	324.381	1.074	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccc(-n3cccn3)cc2)n1	740112976	VDOJADYPXTXXKH-UHFFFAOYSA-N	323.360	1.485	50	20	DDGD	
CC[C@@H](C)c1ccc(C(=O)NNC(=O)CN2CCCC2=O)cc1	913731515	LNIJPOVZEFPBLM-GFCCVEGCSA-N	317.389	1.584	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1cccc(O[C@H](C)CC)c1	849304058	MQNRXUQPAJPOND-SNVBAGLBSA-N	316.379	1.803	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNc1cc(C#N)cc(Cl)n1	845907360	HKPKZFPQMJGWMP-UHFFFAOYSA-N	309.757	1.212	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(Cl)nc1Cl	843648529	QSTWLHQQFSGZGB-BQBZGAKWSA-N	318.160	1.574	50	20	DDGD	
CSCc1cccnc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843656260	AJVLKSSVAZRGQP-MWLCHTKSSA-N	309.391	1.131	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1F)[C@@H](C)O	842231900	BEIWWVLAKRANDJ-VXNVDRBHSA-N	302.733	1.647	50	20	DDGD	
Cc1cc(F)c(CC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1F	843662238	RYQAVKDDUINFIK-MWLCHTKSSA-N	312.316	1.388	50	20	DDGD	
CC(=O)c1ccc(NC(=S)NNC(=O)[C@@H]2CCCCO2)cc1	840776026	STKLIMHDYZFKRL-ZDUSSCGKSA-N	321.402	1.776	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1C[C@@]12CCCc1ccccc12	743339986	WFAYGQBONAWMBU-CRAIPNDOSA-N	324.384	1.773	50	20	DDGD	
COCC[C@H](Cc1ccco1)NC(=O)NNc1ncccn1	753277594	DBHRJXDOIFCHIV-LLVKDONJSA-N	305.338	1.344	50	20	DDGD	
CN(C/C=C\C(=O)NNc1ncc(Cl)cn1)CC(F)(F)F	857730203	NAGDQEQVKVZRMQ-IHWYPQMZSA-N	323.706	1.623	50	20	DDGD	
CC(Cc1cnccn1)=NNC(=O)CCCNC(=O)C(C)(C)C	853407321	BZVWGIYJGBSNMA-UHFFFAOYSA-N	319.409	1.454	50	20	DDGD	
CCc1nc(C)c(CNC(=O)NNc2ncc(Cl)cn2)o1	856908708	ODEKRBPOJRFZPW-UHFFFAOYSA-N	310.745	1.815	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2cnc(C)nc2)cc1	756372829	UVXVHUWEJHQNFP-UHFFFAOYSA-N	315.333	1.325	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1conc1C(C)C	858163356	BVYCDPVCHOOBDP-UHFFFAOYSA-N	314.411	1.286	50	20	DDGD	
C[C@]1(CNc2ncccc2S(N)(=O)=O)C[C@H]1Br	856787015	UNPGHACYUXEYGS-PSASIEDQSA-N	320.212	1.314	50	20	DDGD	
O=C(NC[C@H]1CCCc2ccccc21)NNC(=O)c1cn[nH]c1	858117684	WZPJAWGZHLHZNP-GFCCVEGCSA-N	313.361	1.474	50	20	DDGD	
CC(C)(C)C#CC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855826105	UGEBICHKERGAMN-UHFFFAOYSA-N	309.410	1.126	50	20	DDGD	
COc1ccc(OC)c(NC(=O)NNC(=O)c2ccncc2)c1	755388683	CJHKLECHNMYZSE-UHFFFAOYSA-N	316.317	1.565	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H](C)Oc1cccc(Cl)c1	854928334	UGWLTLZMVOPJAX-MRVPVSSYSA-N	301.799	1.575	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NC[C@H]1CCCS1	756942454	MOBCZDONPHUKSV-CYBMUJFWSA-N	323.418	1.429	50	20	DDGD	
CCN(CC)[C@@H](C(=O)NNC(=O)c1cc[nH]n1)c1ccccc1	855358335	GSTKUCDWORFSGJ-CQSZACIVSA-N	315.377	1.254	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)CNc2ccccc2OC)cn1	920986367	GCYMILKKQKADBR-UHFFFAOYSA-N	315.377	1.864	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)C(C)(C)c2ccccc2)c(C)n1	859298659	ULIIJGWNHYIWDU-UHFFFAOYSA-N	314.389	1.950	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Nc1nnc(C)s1	755427377	XWRUCUIDXNTBMY-UHFFFAOYSA-N	307.335	1.322	50	20	DDGD	
CC(Cn1cncn1)=NNC(=O)Cn1c(C)nc2ccccc21	853268721	KCLVWFQXDQUZPO-UHFFFAOYSA-N	311.349	1.129	50	20	DDGD	
CC[C@H]1CCC[C@H]1CNC(=O)NNC(=O)c1cccc(F)n1	852365746	DJRZDJUANXBHAY-QWRGUYRKSA-N	308.357	1.991	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)o1	859955436	XXHXJPPFSSRARI-JKSUJKDBSA-N	320.345	1.471	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H](NC=O)C(C)C)c1C	858123831	KCQPTSZPILWZTF-ZDUSSCGKSA-N	322.434	1.392	50	20	DDGD	
CC(=NNC(=O)NCC(F)(F)F)c1cc([N+](=O)[O-])ccc1O	758109533	ZHPFXRJNQSWTMO-UHFFFAOYSA-N	320.227	1.886	50	20	DDGD	
CCc1nocc1C(=O)NNC(=O)Cc1ccccc1OC	854510664	QNWVLLYKDXPHRC-UHFFFAOYSA-N	303.318	1.249	50	20	DDGD	
CC[C@H](C)CCNC(=O)NNC(=O)CNC(=O)OC(C)(C)C	852490851	QCCYGGUBZMRYHR-JTQLQIEISA-N	316.402	1.278	50	20	DDGD	
CC(C)n1cc(NC(=O)NNC(=O)Cc2ccccc2F)cn1	756827022	NGIQDVUAAAWYRS-UHFFFAOYSA-N	319.340	1.999	50	20	DDGD	
CC(C)N1CC(=NNC(=O)c2cccc(C(=O)O)c2)[C@H](C)C1	853426242	QNBSETFEBQBHCW-LLVKDONJSA-N	303.362	1.831	50	20	DDGD	
Cn1nc(CNC(=O)NNC(=O)C2CCC2)c2ccccc21	759355702	IKNUUNZDNBOLGL-UHFFFAOYSA-N	301.350	1.204	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NC[C@@]1(C)C[C@@H]1Br	857392624	BAFXWHMXQNPXDC-NTZNESFSSA-N	319.243	1.244	50	20	DDGD	
C[C@@]1(CNC(=O)N2C[C@@H]3[C@@H](CO)[C@@H]3C2)C[C@H]1Br	856957225	BLLHWTMACRAEDR-LNGZZDABSA-N	303.200	1.040	50	20	DDGD	
O=C(NC[C@@H]1COCCO1)NNc1cc(F)cc(Cl)c1	853464735	NOPLNATVLKKOOP-LLVKDONJSA-N	303.721	1.521	50	20	DDGD	
C=CCS(=O)(=O)CCNC(=O)/C(C#N)=C/c1ccc(F)cc1	752773800	WNMWGXPEUYZGBN-JLHYYAGUSA-N	322.361	1.450	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(NC(=O)C(C)C)ccc1C	755894514	ONVVZGVFHZWEFS-UHFFFAOYSA-N	322.365	1.389	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1)c1nccn1C	755588145	NWZPBVNPELAYGI-JHJVBQTASA-N	321.425	1.006	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1ccc(CC(=O)O)cc1	863178035	YNAJHFCGMYFNIM-GDNBJRDFSA-N	316.357	1.763	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2cc(C(F)(F)F)ccc2F)N1	863149156	SQVCTUGAIOLOKO-SNVBAGLBSA-N	317.242	1.573	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2CCOC3(CCOCC3)C2)nn1	769203500	RAHOCPYHGBIWIC-GFCCVEGCSA-N	321.381	1.139	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CN(C)C2CCC2)ccc1F	863924875	PGSLFXRQHAHSEN-UHFFFAOYSA-N	309.341	1.540	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1[C@H]2CC[C@H]1CC(=O)NC2	768229453	UNGIWSOLMSTYMI-ATZCPNFKSA-N	317.227	1.676	50	20	DDGD	
CCSc1ccccc1C(=O)NNC(=O)COCCOC	869912907	QJFWQYGDHBXWIE-UHFFFAOYSA-N	312.391	1.223	50	20	DDGD	
Cn1nccc1[C@H]1CN(CCI)CCO1	933539046	OBLPIAVZEQYVHW-SNVBAGLBSA-N	321.162	1.228	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCc1nccnc1Cl	867256253	SZWWJIWRIKTWKV-UHFFFAOYSA-N	312.222	1.814	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C1CCCc2ccccc21	763199797	RYKJOEPUICHSEF-UHFFFAOYSA-N	322.368	1.668	50	20	DDGD	
Cn1c(C(=O)NNc2cc(C#N)cc(Cl)n2)ccc1[N+](=O)[O-]	768702371	IQNYNEIIQLSYDF-UHFFFAOYSA-N	320.696	1.610	50	20	DDGD	
Cc1oc(-c2ccccc2)cc1C(=O)NNC(=O)CN(C)C	863864920	BMHIJCZAQGHVLY-UHFFFAOYSA-N	301.346	1.578	50	20	DDGD	
O=C1CCCN1c1ccc(NCc2ccc(B(O)O)cc2)cc1	864019161	QRSFOPQYWDRGPY-UHFFFAOYSA-N	310.162	1.105	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(C)c(N2CCOCC2)c1	867279406	ZFVRWHSXTCSJNJ-UHFFFAOYSA-N	320.393	1.138	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)Cc2ccco2)cc1	760280353	ZZPBUBSTGXRJFG-UHFFFAOYSA-N	303.318	1.090	50	20	DDGD	
O=C(NN=C1CCN(c2nccs2)CC1)c1ccccn1	764638877	BIYQMHBIQBPAFX-UHFFFAOYSA-N	301.375	1.924	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C1CCCc2ncccc21	872348829	UPELNFLYBRTKQM-UHFFFAOYSA-N	312.329	1.261	50	20	DDGD	
Cc1cc2ncc(C(=O)NNc3ncc(F)cn3)c(C)n2n1	760914195	IUSOJXYPOIPYAJ-UHFFFAOYSA-N	301.285	1.032	50	20	DDGD	
CCC(=O)c1ccc(C(=O)NNC(=O)CC(F)(F)F)cc1	761256591	YWDJPDHGZXSRLD-UHFFFAOYSA-N	302.252	1.993	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H](C(C)C)N(C)C)c1	873774271	IPZVURBVTUMRCQ-ZDUSSCGKSA-N	308.451	1.899	50	20	DDGD	
Cc1ocnc1CNC(=O)NNC(=O)c1cc2c(s1)CCC2	770808626	VBOMEKQMQCUXNN-UHFFFAOYSA-N	320.374	1.677	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=Cc2c(C)n[nH]c2C)c1	1115850226	KLHJRMVNMDHKCK-UHFFFAOYSA-N	302.334	1.808	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2cccc(C#N)c2)[C@H]1OC	776524778	IXQNJJBPAASFSJ-BFHYXJOUSA-N	304.350	1.377	50	20	DDGD	
CCCCOCCCNC(=O)NNc1nncc(N)c1Cl	1116294772	SBLUOCPNZNKTJI-UHFFFAOYSA-N	316.793	1.545	50	20	DDGD	
O=C(NCC(=O)N1CCCC1)NNc1cccc(F)c1Cl	1119098992	HIWFSLOGACXNDD-UHFFFAOYSA-N	314.748	1.728	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2ccccc2C(F)(F)F)C1=O	772010245	PYYKSVZCDDCSPW-QMMMGPOBSA-N	301.268	1.627	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccn(C2CCCC2)n1	772189643	GBEXEWDYHZWEOX-JTQLQIEISA-N	322.365	1.101	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@H]2CC(=O)N(C(C)(C)C)C2)cc[nH]1	875748636	RIUQIBIUMVVIFW-GFCCVEGCSA-N	319.409	1.085	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(-c2n[nH]c(CC)n2)cc1	770895299	XLDDTYZBIGHOOZ-UHFFFAOYSA-N	316.365	1.388	50	20	DDGD	
CN[C@@H](C)CCNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	1117966686	LWUWJDAXKCNPQY-LBPRGKRZSA-N	320.437	1.926	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CCC2)nn1-c1ccc(F)cc1	777398108	QZKXZCCOYJQKRF-UHFFFAOYSA-N	316.336	1.881	50	20	DDGD	
Cc1cc(=NNC(=O)NCc2cccc(N(C)C)n2)cc[nH]1	875425380	WPHOFSSISPCKBK-UHFFFAOYSA-N	300.366	1.099	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]32)cc[nH]1	875434701	JKDMEDPDAGRVGI-FRRDWIJNSA-N	324.475	1.818	50	20	DDGD	
CC[C@@]1(CO)CCCN([C@H](C)C(=O)NNC(=O)CC(C)C)C1	778331138	MAHJDSMLNSTXPN-CZUORRHYSA-N	313.442	1.053	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)/C=C/c1ccccc1F	771941469	SIUSHUUKBOZLOH-DDXVTDLHSA-N	308.309	1.328	50	20	DDGD	
CC[C@H](C)n1nc(C(=O)NNc2nccc(OC)n2)cc1C	778235614	IQOKJPTZKDRUKW-VIFPVBQESA-N	304.354	1.718	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1sccc1C1CC1	772049936	WPJHDOYBICNKII-QMMMGPOBSA-N	310.375	1.728	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C#N)s1	772168145	OMGFPAWZJFAQAA-VIFPVBQESA-N	323.374	1.359	50	20	DDGD	
CO[C@H]1CCC[C@@H]1CNC(=O)NNC(=O)c1ccc(C#N)cc1	774696450	FVKGMCZFDLSUPZ-KGLIPLIRSA-N	316.361	1.317	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@@H](O)c1c(F)cccc1F	881929285	BBZWYJMHFWMXNT-SNVBAGLBSA-N	313.753	1.547	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)Cc1ccc(F)cc1	772047121	KANGKBJLIOKICR-MNOVXSKESA-N	324.352	1.493	50	20	DDGD	
CN1CCN(C(=O)NC[C@]2(C)C[C@@H]2Br)CC1(C)C	883733705	CYPRDHVDKTUBKN-GWCFXTLKSA-N	318.259	1.896	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(F)ccc1F)n1nnnc1C(C)(C)C	885142547	FFYCKTKOGPJZRQ-QMMMGPOBSA-N	324.335	1.953	50	20	DDGD	
C[C@@](O)(CCNS(=O)(=O)CCCCl)c1ccccc1	882089913	VCJLFPGIDSKGMW-CYBMUJFWSA-N	305.827	1.833	50	20	DDGD	
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NNc1ncncc1Cl	781005162	WJKDMIBKBMOPME-KCJUWKMLSA-N	310.789	1.239	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2ccc(Cl)c(F)c2)C(=O)O1	896352033	PPEFEBVZVGFLLH-QUBYGPBYSA-N	301.705	1.809	50	20	DDGD	
CC(C)(N)CCNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	892860478	METFYQVCLTVWHF-UHFFFAOYSA-N	322.453	1.661	50	20	DDGD	
Cc1cnc(Cl)c(NC(=O)NNC(=O)c2ccccn2)c1	787456388	ZAZZDBXCYZDSKK-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
O=C1NCCC[C@H]1C(=O)NNc1ncccc1C(F)(F)F	896504751	CPKPNETZPVWLJM-SSDOTTSWSA-N	302.256	1.070	50	20	DDGD	
O=C(NN=Cc1cc([N+](=O)[O-])ccc1OC(F)F)C(F)F	782236194	WVNZITQDKLJBCS-UHFFFAOYSA-N	309.175	1.911	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1c[nH]nc1-c1ccsc1	780200323	FXASDYIBLXGLFJ-UHFFFAOYSA-N	317.374	1.211	50	20	DDGD	
O=C(NN=C1CC(=O)N2CCCC[C@@H]12)c1cc(Cl)ccc1O	799474558	IKGCRKGXOBFUMV-LBPRGKRZSA-N	321.764	1.916	50	20	DDGD	
COc1ccc(OCC(=O)NN=C(C)c2cnoc2C)cc1	799468628	LXNQAFAHJNMNEV-UHFFFAOYSA-N	303.318	1.911	50	20	DDGD	
CSSCCNC(=O)NCCCN1C[C@H](C)O[C@@H](C)C1	790667341	JVTDLWUXIJGBNS-RYUDHWBXSA-N	321.512	1.796	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccc2cncn2c1	790329373	AABKGZHZEPNGAF-UHFFFAOYSA-N	324.340	1.347	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C[C@@H](CC#N)c2ccccc2)n[nH]1	793747778	ANCOINUXFNDBKF-CYBMUJFWSA-N	311.345	1.567	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H](C)Oc2cccnc2)n1	794086922	JMSWHJZODOLEHO-LLVKDONJSA-N	300.318	1.014	50	20	DDGD	
O=C(NN=Cc1ccc(OCC2CC2)cc1)C(=O)NC1CC1	790154814	ZDMOXCULCSSARC-UHFFFAOYSA-N	301.346	1.204	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cccc3ncccc23)o1	794295172	HVVPCQCXMZVNJN-UHFFFAOYSA-N	306.281	1.774	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCC[C@H]1c1ccccn1	794882238	ZPNGXJFHUSZAJR-LBPRGKRZSA-N	300.362	1.444	50	20	DDGD	
COc1ccc(C=NNC(=O)c2n[nH]c3c2CCCC3)cc1C#N	1318747975	GJNNTFWWYRMTFE-UHFFFAOYSA-N	323.356	1.933	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2n[nH]c3c2CCCC3)nc1	1323847445	PBMKMDCFNSNGBU-UHFFFAOYSA-N	314.349	1.458	50	20	DDGD	
CC(C)CSCCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	1325975361	JNXMZSKKVVBCLO-GHMZBOCLSA-N	303.428	1.131	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)NC(C1CCC1)C1CCC1	1328725726	QVSCDGPAOHLHGH-UHFFFAOYSA-N	308.426	1.285	50	20	DDGD	
COC(C)(C)CC(=O)NNC(=O)c1cncn1-c1ccccc1	1320885983	SCQWUUWJKZRQDN-UHFFFAOYSA-N	316.361	1.448	50	20	DDGD	
CCn1cc(CNS(=O)(=O)c2ccc(CCl)cc2)nn1	404463202	VKRPOXNXJYNLTO-UHFFFAOYSA-N	314.798	1.515	50	20	DDGD	
CN(NC(=O)CNS(=O)(=O)c1ccccc1)c1ccccc1	1324199081	OFVFPDWKGIYNHD-UHFFFAOYSA-N	319.386	1.133	50	20	DDGD	
O=C1CCCN1[C@@H]1CCCN(S(=O)(=O)CCCCCl)C1	780778190	VZJZCQCBPOKLMC-GFCCVEGCSA-N	322.858	1.422	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(=NCc2ccccc2)cc[nH]1	1263841429	LBTODIJZVGBVKA-CYBMUJFWSA-N	314.389	1.073	50	20	DDGD	
CCc1oc2ccccc2c1C(=O)NNC(=O)COCCOC	1261880541	FTGZWHRIHBVTEZ-UHFFFAOYSA-N	320.345	1.419	50	20	DDGD	
O=C(NCCC[C@H]1CCOC1=O)NNc1cccc(C(=O)O)c1	1608441413	KXTSASRDXJKBKG-JTQLQIEISA-N	321.333	1.354	50	20	DDGD	
Cc1[nH]c(C(=O)NNC(=O)OCC(F)(F)F)c(C)c1C(=O)O	1607492705	VLMIROFKHNIRKM-UHFFFAOYSA-N	323.227	1.263	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCCCl)[C@@H]1C[C@H](C(=O)O)C1(C)C	1603251000	XCEVENLXPHVVQR-KXUCPTDWSA-N	311.831	1.670	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(C(=O)O)c(OC)c1	1604918984	OCBSPSNSFCICKR-QMMMGPOBSA-N	309.322	1.592	50	20	DDGD	
O=C(C[C@@H]1CCCC[C@H]1O)NNc1ccc(C(=O)O)cc1F	1608356375	KOEXXGXDAHDIHF-TVQRCGJNSA-N	310.325	1.908	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@H]1CCc2cc(-c3nn[nH]n3)ccc21	1604360094	BLHPVJVGOASDFL-TZIYXEQSSA-N	324.344	1.414	50	20	DDGD	
Cc1occc(=O)c1OCC(=O)NNc1ccccc1C(=O)O	1600859363	NKAJORMBDKIJKW-UHFFFAOYSA-N	318.285	1.169	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNc1ccc(C(=O)O)cc1F	1605505991	QPUJYXUQDBKRBB-UHFFFAOYSA-N	312.297	1.556	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NNc1ccc(F)c(C(=O)O)c1	1604620115	JVYRREIQBIUFBZ-RKDXNWHRSA-N	308.309	1.972	50	20	DDGD	
C/C(=C/CNC(=O)NC[C@]1(C)C[C@H]1Br)C(=O)O	1602971401	ADIKEZRKDQQIFI-VWRBLZFSSA-N	305.172	1.490	50	20	DDGD	
Cc1cnc(CC(=O)NNc2cccc(F)c2C(=O)O)s1	1600619918	CDDJQGQJYQRTJP-UHFFFAOYSA-N	309.322	1.975	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)N[C@H]2CO[C@@H](C3CC3)C2)cc1	1602127856	CCPXAOQSHHAPER-ZIAGYGMSSA-N	319.361	1.507	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc(C)c(C(=O)O)o2)cc1	1607206375	UHBSKFUAOBBSTN-UHFFFAOYSA-N	318.285	1.370	50	20	DDGD	
O=C(O)c1ccc(Br)c(NNC(=O)[C@H]2C[C@@H]2F)c1	1608870765	NOLGCEPHZVRXSI-XPUUQOCRSA-N	317.114	1.948	50	20	DDGD	
CC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)S)C2	1800077472	OFSGSNHBUUJBMH-ZIQFBCGOSA-N	318.870	1.960	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccc(C(=O)O)c(Cl)c2)c1N	1610614865	WKHXPTGIYZZOGA-UHFFFAOYSA-N	309.713	1.111	50	20	DDGD	
COCC(C)(C)C=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccnn1C	1549322002	WYOQSPKTRSZMPW-OCCSQVGLSA-N	322.409	1.662	50	20	DDGD	
C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Cl)C2	1802302488	MKUAFIYFDGBDDG-OPDFLTKYSA-N	314.788	1.963	50	20	DDGD	
COC[C@H](NC(=O)NNc1ccc(F)c(C(=O)O)c1)C(C)C	1610250769	MUADROREFBGEBV-LBPRGKRZSA-N	313.329	1.821	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@@H]1C=NNC(=O)c1cnsn1	1552920406	NIGRALUNZVXFGK-SKDRFNHKSA-N	320.378	1.155	50	20	DDGD	
CC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)CCl)CC1	1824182039	RJEMMTOYNMCGFA-ZIAGYGMSSA-N	316.829	1.226	50	20	DDGD	
COCC[C@H](N)C(=O)NNc1ccc(Br)c(F)c1	1573978080	NTTCZITZAJQVGB-JTQLQIEISA-N	320.162	1.395	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)C2CCNCC2)CCc2ccccc21	1576349172	ANNWIINQLVEFHK-KRWDZBQOSA-N	301.390	1.038	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)[C@@H]1CC[C@H]2CCCC[C@H]2N1	1580733514	WZELMHRSGNXFMN-LWGJEFJTSA-N	321.421	1.012	50	20	DDGD	
O=C(NNC(=O)C1(F)CCNCC1)c1cccc2ncccc12	1580732939	KPKKVCUDFUXAHG-UHFFFAOYSA-N	316.336	1.088	50	20	DDGD	
C=C(CBr)COC(=O)c1cc(C(=O)O)nn1C	1588444642	MCCOCCLEPDCYRP-UHFFFAOYSA-N	303.112	1.226	50	20	DDGD	
CCCC(=O)N1CC2(CCCN2C(=O)[C@H](C)Br)C1	1846176007	HMRJGQDBZGZIBV-JTQLQIEISA-N	317.227	1.773	50	20	DDGD	
C[C@@H](CC(=O)O)NC(=O)NNC(=O)CCCc1ccccc1	1589002188	RXZZIXATKZZMOU-NSHDSACASA-N	307.350	1.203	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)OC	1847868055	QKEJSNAXVBOUBU-NDBYEHHHSA-N	316.829	1.631	50	20	DDGD	
O=C(O)/C=C\c1cc(C(=O)NNC(=O)Cc2ccsc2)co1	1594967615	CFHASOSLWVADLU-UPHRSURJSA-N	320.326	1.443	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)C2CC(F)(F)C2)C1	1841121881	OSROOZKFGIHCBT-VIFPVBQESA-N	324.730	1.770	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](C(=O)O)C2CC2)c1F	1593896765	ITZITONITPHGIB-SNVBAGLBSA-N	310.281	1.166	50	20	DDGD	
CSSCCNC(=O)c1cccc(F)c1-c1nn[nH]n1	1591702096	XLCNHKRALDLQOT-UHFFFAOYSA-N	313.383	1.747	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNc2cccc(C(=O)O)c2F)C1	1594694957	CTJGHHLJUWGVDM-SECBINFHSA-N	323.324	1.226	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)N[C@@H]1CCC[C@@H]2C[C@@H]21	1593166013	QKUMCNVMPXWPQH-JIMOISOXSA-N	313.365	1.681	50	20	DDGD	
Cc1oc(C=NNC(=O)c2cccc(C(=O)O)c2)cc1C(=O)O	1776096294	UDURVEIHAOATGN-UHFFFAOYSA-N	316.269	1.748	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=C1CC[C@@H](C(=O)O)c2ccccc21	1776102508	RHEHRIRRGHXZLJ-VNHYZAJKSA-N	316.357	1.894	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cnccn2)c1C	18102863	SSFMGEKLDWPRHA-GFCCVEGCSA-N	314.345	1.322	50	20	DDGD	
O=C(CCNC(=O)c1cccs1)NNC(=O)c1ccccc1	19603652	NYDZNHYILVTHJL-UHFFFAOYSA-N	317.370	1.329	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCC[C@H](O)COC)cc1	160949192	CZIBPKQCAKGIAJ-LTBFUDJGSA-N	318.373	1.506	50	20	DDGD	
Cc1ccc2ncc(/C=C(/C#N)C(=O)NC[C@@H]3CCCO3)n2c1	151383056	MWCWROGQCCBGTJ-QLBUUCPGSA-N	310.357	1.845	50	20	DDGD	
CN(C)CC(=O)NNC(=O)[C@H](OC(C)(C)C)c1ccccc1	151519823	NFXVCYHAPFNXOE-CQSZACIVSA-N	307.394	1.252	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)nc1	157577571	CACJOXMWHMRFBZ-UPJWGTAASA-N	306.366	1.674	50	20	DDGD	
CC(C)(CN1CCOCC1)NS(=O)(=O)CCCCCl	308607980	PUBBSICVHALNLR-UHFFFAOYSA-N	312.863	1.036	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCO2)NNC(=O)c1ccccc1O	10125706	WTXPMMHKTCMXIW-UHFFFAOYSA-N	312.325	1.331	50	20	DDGD	
O=C(NNc1ccc(-n2cccn2)nn1)Nc1ccc(F)cc1	55328220	PPCQVXASHXOHMZ-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
O=C(NC[C@H](O)Cc1ccccc1)NNC(=O)c1ccccc1	103850910	GGMPCYUQVZGIBR-OAHLLOKOSA-N	313.357	1.234	50	20	DDGD	
CCCNC(=O)NNC(=O)c1sc(-c2cnn(C)c2)nc1C	115346875	MZAQWAMVQLCNDJ-UHFFFAOYSA-N	322.394	1.206	50	20	DDGD	
CC(C)NC(=O)NNC(=O)Cc1ccccc1C(F)(F)F	104339156	PXMVSWBCDXHNER-UHFFFAOYSA-N	303.284	1.987	50	20	DDGD	
CCc1ncc(C(=O)NNC(=O)CCOc2ccccc2)s1	61474985	OWQLKGGYTPRIDL-UHFFFAOYSA-N	319.386	1.936	50	20	DDGD	
CN(CC(=O)NNC(=O)C1CC1)[C@H]1CCc2ccccc2C1	114489822	ZGJNIYCBQPYEGK-HNNXBMFYSA-N	301.390	1.033	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCC12CC3CC(CC(C3)C1)C2	66688307	CRMWDHWIQSDRTG-UHFFFAOYSA-N	323.437	1.960	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)c1ccncc1	116161276	IGYCOHDGSBOSJB-GHMZBOCLSA-N	317.295	1.925	50	20	DDGD	
O=C(CCn1cncn1)NNC(=O)C12CC3CC(CC(C3)C1)C2	23743036	MBDUACQOMMJCKF-UHFFFAOYSA-N	317.393	1.032	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H]1CC(=O)N(c2ccccc2CC)C1	23241722	PNRHILCYHWOHOT-LBPRGKRZSA-N	319.361	1.379	50	20	DDGD	
COc1ccc(CCCC(=O)NNC(=O)c2cccn2C)cc1	61366640	DFXBWXCHDDBPOR-UHFFFAOYSA-N	315.373	1.818	50	20	DDGD	
C[C@@H]1C[C@H]1C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1	170969103	VISRBSBWERMSFE-LDYMZIIASA-N	302.309	1.633	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Cc2cccc(O)c2)c2ccccc21	63536295	WTJXRMFRXKUPAZ-UHFFFAOYSA-N	323.352	1.888	50	20	DDGD	
CCCc1cc(NC(=O)NNC(=O)Cc2cccnc2)n(C)n1	183722729	AXNNZWYXNLNWRE-UHFFFAOYSA-N	316.365	1.163	50	20	DDGD	
COc1cccc(NNC(=O)C[C@H](O)c2cccc(F)c2)n1	183030583	SHMLGGFCEJNXPQ-LBPRGKRZSA-N	305.309	1.796	50	20	DDGD	
COc1cc(C)nc(NNC(=O)/C=C/c2scnc2C)n1	188959869	PEEVJOWGFMHNMF-SNAWJCMRSA-N	305.363	1.715	50	20	DDGD	
COC(=O)NNC(=O)c1c[nH]nc1-c1cc2ccccc2o1	189021469	VIRQSGYTEZMABC-UHFFFAOYSA-N	300.274	1.824	50	20	DDGD	
Cc1cccc(NC(=O)NNc2ccc(C(N)=O)nn2)c1C	122277994	QJMMYBUIEAANOW-UHFFFAOYSA-N	300.322	1.341	50	20	DDGD	
CC1(C)C[C@H](NC(=O)NNC(=O)Cc2ccc(F)cc2)CCO1	125735005	RNFUBKIMEQCXBN-CYBMUJFWSA-N	323.368	1.656	50	20	DDGD	
O=C(NNC(=O)c1cccc[n+]1[O-])c1cccc2ccccc12	122243942	PYVFQTTXNBNDJS-UHFFFAOYSA-N	307.309	1.548	50	20	DDGD	
CCN1C[C@H](C(=O)NNc2nc3ccccc3cc2C)CC1=O	181319250	KBPVVDNGDPLEOS-CYBMUJFWSA-N	312.373	1.855	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@H](c1ccccc1)C(C)C	79330663	BJGMUTIZRRUOJI-ZDUSSCGKSA-N	305.378	1.098	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cc(Cl)ccc2C)nn1	123648162	BSOAODZYJZZLPW-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
CCc1c(C(=O)NNc2ccncc2)cnn1-c1ccccn1	180517025	YGJVYMSJGQCROY-UHFFFAOYSA-N	308.345	1.982	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cn1)c1ccc(Cl)nc1	134622465	QISMONMGOOBGMV-UHFFFAOYSA-N	311.128	1.858	50	20	DDGD	
O=S(=O)(CCCCCl)N(CCO)Cc1cccnc1	184432808	HQXFITLCZPRSMI-UHFFFAOYSA-N	306.815	1.225	50	20	DDGD	
COc1ccccc1S(=O)(=O)NNC(=O)c1ccccc1	47367470	AMLQISAEDZWBSR-UHFFFAOYSA-N	306.343	1.319	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNC(=O)c1ccccc1)c1ccco1	43138163	FXEIETJHXHBDOA-CYBMUJFWSA-N	316.361	1.527	50	20	DDGD	
CO[C@H](C)CC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	195427977	RUWRCNXAWDRUFE-YPMHNXCESA-N	308.378	1.643	50	20	DDGD	
CCCNc1ccc(CNC(=O)NNC(=O)COCC)cc1	192586238	HEXYISSYTJVDKJ-UHFFFAOYSA-N	308.382	1.375	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1ccn(-c2ccccc2)n1	195320013	AYEKMUOUYVXKPE-GXDHUFHOSA-N	302.359	1.628	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N(C)C)c1Br	192035957	FSKMQCWIJGTXSO-UHFFFAOYSA-N	306.185	1.735	50	20	DDGD	
O=C(NNC(=O)C1(O)CCCCC1)c1cccc2ncccc12	86584268	QGPIOLWSPLDHEK-UHFFFAOYSA-N	313.357	1.691	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CCc1ccncn1	192431851	VFGZVENOWFTCGR-UHFFFAOYSA-N	303.274	1.932	50	20	DDGD	
O=Cc1ccc(OCC(=O)NNc2nc3ccccn3n2)cc1	191898461	TVZAIRXZIXYHES-UHFFFAOYSA-N	311.301	1.064	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2ccc3ncccc3c2)n1	194609425	BXFQWOVGBCFOEE-UHFFFAOYSA-N	324.344	1.860	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2	246131316	OZMRINLIFQCZIE-CYZMBNFOSA-N	309.410	1.711	50	20	DDGD	
CC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)Cc1ccncc1	266997071	YBNFCWLTPJSXNA-UONOGXRCSA-N	304.394	1.923	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)CNc1cccc(OC)c1	269882260	ZMKGSQYFSFLCOO-LLVKDONJSA-N	309.366	1.070	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)[C@H]1CCCc2ccccc21	265763267	CJGJROPVNKTHKK-LBPRGKRZSA-N	308.345	1.916	50	20	DDGD	
CCOC(=O)NCC(=O)NNc1ccc([N+](=O)[O-])cc1Cl	269661805	UHPZNVYYVODWSQ-UHFFFAOYSA-N	316.701	1.437	50	20	DDGD	
C[C@H](NC(=O)C1CCCC1)C(=O)NNc1ccc(Cl)nn1	265569748	WNBUYTNYGOFHFV-QMMMGPOBSA-N	311.773	1.268	50	20	DDGD	
Cc1cnc(CNC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)o1	267559868	ASOXUMZRHICIEP-YIXHJXPBSA-N	309.329	1.725	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)c1ccccc1OC)C1CC1	269678771	QIWIFVZGPURKAH-LBPRGKRZSA-N	307.350	1.064	50	20	DDGD	
COC(=O)C[C@@H](C)NC(=O)c1c(C)nn(CCCl)c1C	266202010	IKNXANRYZSAXBU-MRVPVSSYSA-N	301.774	1.420	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)CCCC(C)=O	276713014	ZTXYLFNUGRROEM-UHFFFAOYSA-N	307.350	1.014	50	20	DDGD	
COc1ccc(NNC(=O)C2(NC(=O)OC(C)(C)C)CC2)nc1	275472186	FCTDSSQHMIHXTF-UHFFFAOYSA-N	322.365	1.591	50	20	DDGD	
COC1(CC(=O)NNc2nc3ccccc3c(=O)n2C)CCC1	277217662	HKMKTTKJDQHTTH-UHFFFAOYSA-N	316.361	1.336	50	20	DDGD	
CC(=O)CSCC(=O)NNC(=O)COc1cc(C)ccc1C	279747824	PRJHNBDPNXVMDE-UHFFFAOYSA-N	324.402	1.152	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(C)c(C(C)=O)c1	279172109	HCZSKXPUACTZCX-UHFFFAOYSA-N	307.350	1.178	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CC2CC2)cc1[N+](=O)[O-]	273490352	NGGMIVQAGDVSAW-UHFFFAOYSA-N	308.294	1.556	50	20	DDGD	
COCCOc1ccc(Cl)cc1C(=O)NN(C)C(N)=O	272167101	IUDYRMCRRWKLIS-UHFFFAOYSA-N	301.730	1.021	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NC1CC(F)(F)C1	277418337	GZOUEIFXZPNMMD-UHFFFAOYSA-N	301.268	1.496	50	20	DDGD	
Cc1ccc(C(=O)N(C)C)cc1NC(=O)NNC(=O)C1CC1	273196936	KGSQRMPLVCQZSE-UHFFFAOYSA-N	304.350	1.260	50	20	DDGD	
CCOc1ccc(C(=O)NCC(=O)N2CC=C(C#N)CC2)cc1	271087226	HDTGXIFBFGKMMD-UHFFFAOYSA-N	313.357	1.497	50	20	DDGD	
CC(C)OCCCC(=O)NNC(=O)[C@H]1COc2ccccc2O1	273316334	DOFSPUZSMZWIOU-CQSZACIVSA-N	322.361	1.179	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC=C(C#N)CC1	272680302	RUEYHXONKLTNQA-UHFFFAOYSA-N	316.317	1.698	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	370743628	ZJWRQKPNPOUFKR-VZJVUDMVSA-N	322.336	1.167	50	20	DDGD	
COc1cc(C)c(Br)cc1C(=O)NN(C)C(N)=O	285916708	WJCMKRWPNOQHBI-UHFFFAOYSA-N	316.155	1.421	50	20	DDGD	
C[C@@H](Oc1ccc(C=O)cc1)C(=O)NNC(=O)OC(C)(C)C	285090241	LOOKLGOASMUIGZ-SNVBAGLBSA-N	308.334	1.822	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc(CC)ccn1	287740293	HOHCEJOHQYPZRP-UHFFFAOYSA-N	309.366	1.194	50	20	DDGD	
COC(=O)N(C)NC(=O)CCCOc1ccc(C#N)cc1OC	286477646	UZWAWCWBLZPULK-UHFFFAOYSA-N	321.333	1.455	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCc3cnn(C)c3C2)s1	281625352	NXSAKCVJWYPWMI-SNVBAGLBSA-N	318.402	1.356	50	20	DDGD	
Cc1cc(F)ccc1CCNC(=O)NNC(=O)[C@H]1CCCCO1	296364868	IMLBWEJEZPBXMA-CQSZACIVSA-N	323.368	1.576	50	20	DDGD	
Cc1cnc(COCC(=O)NNc2ncnc3ccsc23)o1	802764971	MKEYHELIXDUNCQ-UHFFFAOYSA-N	319.346	1.648	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H]1Cc2ccccc2S1	802036235	SUEVCETXGHVFOG-ZDUSSCGKSA-N	314.370	1.373	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)[C@H]2CCCCO2)cc1	297288881	PVCWUYZYDKDNEB-CQSZACIVSA-N	305.378	1.437	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2nccnc2C2CCC2)C1	805464549	ZNZAAXMHJOMYQX-VXGBXAGGSA-N	317.393	1.479	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSc1cccc(C(N)=O)c1	809989783	HAVKNSCRSWBQJE-UHFFFAOYSA-N	309.391	1.071	50	20	DDGD	
CC(C)(C)CCC1(O)CC(C(=O)NNC(=O)c2ccncc2)C1	294184488	FMWXCLKRJUSRRC-UHFFFAOYSA-N	319.405	1.810	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CCCOC(C)(C)C)c1O	803168922	CSNVPOBBKGEXKM-UHFFFAOYSA-N	324.377	1.757	50	20	DDGD	
CCc1nn(C)c(CC)c1CNC(=O)NNc1ccncn1	296611830	XFQDIBYKVPDWHA-UHFFFAOYSA-N	303.370	1.161	50	20	DDGD	
CC(C)OC(=O)[C@H](C)CNC(=O)NNc1ncc(F)cc1F	298025177	RUODSGREKAPKGD-MRVPVSSYSA-N	316.308	1.574	50	20	DDGD	
COc1ccc([C@H](C)CC(=O)NNC(=O)[C@@H]2CCCO2)cc1	292042397	AQPRVXULDOYVLC-RISCZKNCSA-N	306.362	1.515	50	20	DDGD	
C[C@H]1CC(=NNC(=O)Cc2cc(O)nc(O)n2)c2ccccc21	807974583	LSRXDOPAXVKJMB-VIFPVBQESA-N	312.329	1.458	50	20	DDGD	
CC(C)O[C@H](C(=O)NNC(=O)[C@H]1CCCCO1)c1ccccc1	295374766	KGOIWJLJVSEDQA-CABCVRRESA-N	320.389	1.869	50	20	DDGD	
C[C@H]1CCCN(CC(=O)NNC(=O)c2ccc(F)cc2)[C@H]1C	299262532	LKNHZPFATLKOHS-RYUDHWBXSA-N	307.369	1.707	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@H]2CCCC(=O)N2)cc1C	291383423	ZOVJBCUYXBOANZ-CYBMUJFWSA-N	319.361	1.284	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])S(C)(=O)=O	298762509	DFBADMFSPZKREW-ZCFIWIBFSA-N	321.742	1.124	50	20	DDGD	
CC(C)n1cc([C@H](C)NC(=O)NNc2ncncc2F)cn1	814301141	VDXRAORKKIWMAN-VIFPVBQESA-N	307.333	1.780	50	20	DDGD	
CCc1nnsc1C(=O)NNc1nc2ccccc2n1C	816579658	ZEPXOQMVXXIKLQ-UHFFFAOYSA-N	302.363	1.744	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)c1cn(C)c2ccccc12	812453135	QNAQOTXLDLNGPI-RYUDHWBXSA-N	317.389	1.858	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)CNc2ccccc2F)cn1	814713213	FVOWOXLCTRORPO-UHFFFAOYSA-N	316.340	1.244	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1c[nH]c2c(F)cc(F)cc2c1=O	819123465	YSFJCJKMGWDXRN-UHFFFAOYSA-N	321.283	1.367	50	20	DDGD	
CC(=O)Nc1ccc(F)c(C(=O)NNc2ncncc2F)c1	817078383	BLWARJAKSVQXRZ-UHFFFAOYSA-N	307.260	1.470	50	20	DDGD	
Cn1c(=NNC(=O)CCc2ncccn2)sc2ccccc21	812446363	ZNKBYCCEEQDWCU-UHFFFAOYSA-N	313.386	1.595	50	20	DDGD	
CC(C)n1cnnc1CN(C)S(=O)(=O)CCCCCl	813765403	XZRUQMYOUPSMAI-UHFFFAOYSA-N	308.835	1.640	50	20	DDGD	
COC(=O)c1ccc(C(=O)NN=c2cc[nH]cc2Cl)n1C	816126198	XWFWXHBMAMDXCT-UHFFFAOYSA-N	308.725	1.039	50	20	DDGD	
O=C(NNc1ncncc1F)[C@H]1CCCCN1C1CCCC1	817081660	IOWVEJDJBKAVTG-CYBMUJFWSA-N	307.373	1.856	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C2(C)CCOCC2)c1	728207633	ATJDZUXXIPNEOD-UHFFFAOYSA-N	321.377	1.071	50	20	DDGD	
Cc1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c(C)n1	826282066	WTGKYWAMRGQQPZ-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H](Oc1ccccc1)C(C)(C)O	823756003	QIMRKLBAUSUOAD-ZDUSSCGKSA-N	323.393	1.335	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)c1cccnc1	824045922	PJASEOGPJPDPQG-JTQLQIEISA-N	309.333	1.509	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@H](C)C1CCN(C(=O)OCC)CC1	495539645	HMLKKTFEBBZJND-POKNLVKOSA-N	323.393	1.804	50	20	DDGD	
CC[C@@H]1C[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCO1	825182635	LJOADUHLJFXTHM-WCQYABFASA-N	316.365	1.515	50	20	DDGD	
CCNC(=O)NNC(=O)C[C@@H](c1ccccc1)c1ncc[nH]1	823798913	ITMAPSCAXRZKQO-LBPRGKRZSA-N	301.350	1.282	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CNc2ccccc2)nn1C(C)C	823974451	KZHXSWZPVYUHSS-UHFFFAOYSA-N	315.377	1.646	50	20	DDGD	
C[C@@]1(CC(=O)NNC(=O)N2CCOCC2)CC1(Cl)Cl	822854427	MOKBOKUCMWHUCZ-SNVBAGLBSA-N	310.181	1.033	50	20	DDGD	
CNC(=O)NNC(=O)[C@@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C	497097038	HMNHJGATENTGHO-ZJUUUORDSA-N	316.402	1.132	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)N(C)CC(Cl)Cl)C2	497136517	XCACHGDUOGTRSJ-GUBZILKMSA-N	321.204	1.891	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1	823993151	LUKAUKPZECBTMI-GFCCVEGCSA-N	321.421	1.058	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)COc2cc(C)ccc2C)cn1	728855640	JSXQCWYNBWCASX-UHFFFAOYSA-N	323.352	1.520	50	20	DDGD	
CCOC(=O)NNC(=O)c1[nH]cnc1C(=O)c1ccccc1	495514841	MVIWMIOWLLNLCV-UHFFFAOYSA-N	302.290	1.032	50	20	DDGD	
CCO[C@H](CCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)C(C)C	826120824	CXYLTMZJMCVXHS-YNEHKIRRSA-N	315.414	1.193	50	20	DDGD	
CCOCc1ccccc1NCc1ccc(B(O)O)cc1F	585011710	CBPAOHBNVHXFGS-UHFFFAOYSA-N	303.142	1.654	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCC[C@H](O)c1ccccc1	826753504	GNXXSVVPFGWPHC-AWEZNQCLSA-N	316.361	1.383	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@H]1C[C@@]12CCOc1ccccc12	584913187	QPWYMNTTXYEAGP-CRAIPNDOSA-N	323.157	1.045	50	20	DDGD	
CCOC(=O)NCC(=O)NNc1ncccc1C(F)(F)F	491421403	WQVNMPXVUGIIHZ-UHFFFAOYSA-N	306.244	1.290	50	20	DDGD	
CCC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1nccn1C	825029169	OEGSOKLDRBRIGA-UHFFFAOYSA-N	324.348	1.144	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cc2n(n1)CCCC2=O	905239136	KCMDVZOAPOIQMB-UHFFFAOYSA-N	312.329	1.243	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=S)NCCc1cccs1	820171143	GPNIUIQYQLBOHP-UHFFFAOYSA-N	322.459	1.990	50	20	DDGD	
CC[C@@](O)(C(=O)NN(C)[C@@H](C)CO)c1cccc(Cl)c1	823924242	YRJWNCHVSKONCP-HZMBPMFUSA-N	300.786	1.281	50	20	DDGD	
COc1cccc(C[C@@H](O)C(=O)NNC(=O)OC(C)(C)C)c1	492432831	HLVXJCGYSKVOFR-GFCCVEGCSA-N	310.350	1.155	50	20	DDGD	
CC[C@@H](OC1CCCC1)c1nc(-c2cccc(B(O)O)c2)no1	585052861	ZOYAPUFKIAOPMT-CQSZACIVSA-N	316.166	1.827	50	20	DDGD	
OB(O)c1ccc(CNCC2CCN(c3ccccc3)CC2)cc1	585038461	FYWNFYURQNBEKG-UHFFFAOYSA-N	324.233	1.373	50	20	DDGD	
CC[C@@H]1C[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCO1	825182634	LJOADUHLJFXTHM-DGCLKSJQSA-N	316.365	1.515	50	20	DDGD	
CC(=O)c1ccc(Nc2ccccc2C(=O)NCB(O)O)cc1	585062441	IWJGLMUYOAZXMP-UHFFFAOYSA-N	312.134	1.375	50	20	DDGD	
Cc1cc(CCC(=O)Nc2cccc(B(O)O)c2)c(C)s1	584913434	WRBKNJILZCIJKP-UHFFFAOYSA-N	303.192	1.616	50	20	DDGD	
Cc1sc2ccc(Cl)cc2c1S(=O)(=O)NCB(O)O	585056068	OHWPGAVYIWPMDI-UHFFFAOYSA-N	319.600	1.153	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1cnc(-c2ccccc2)[nH]1	736666917	JTPDGJSZCDIHQO-UHFFFAOYSA-N	322.324	1.857	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1	494362618	IQTJPRFIKQSJHB-UHFFFAOYSA-N	322.365	1.916	50	20	DDGD	
Cc1oc(C2CC2)nc1-c1nc(-c2ccc(B(O)O)cc2)no1	585055337	XEBBZARUVBLJGE-UHFFFAOYSA-N	311.106	1.257	50	20	DDGD	
CCO[C@H]1CCCC(=NNC(=O)[C@H](C)CN2CCOCC2)C1	905428674	AEBJIUKQIIXKFL-HIFRSBDPSA-N	311.426	1.406	50	20	DDGD	
COc1ccc([C@H](NCC(=O)NNC(=O)C(C)C)C2CC2)cc1	828721929	ITENZXYBCGNBGZ-MRXNPFEDSA-N	319.405	1.539	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1ccc(SC)c(Cl)c1	495409419	YGBBYXNQKZPRRS-UHFFFAOYSA-N	310.784	1.611	50	20	DDGD	
CCOC(=O)NNC(=O)CCN(C(=O)OC(C)(C)C)C1CC1	497192393	VDRFAVIWGFVISC-UHFFFAOYSA-N	315.370	1.553	50	20	DDGD	
C[C@@H]1[C@@H](C(=O)NNc2ncccn2)CCN1C(=O)OC(C)(C)C	496251776	FDDZGNKSQIVIKZ-MNOVXSKESA-N	321.381	1.565	50	20	DDGD	
CN1C[C@@H](N(C)C(=O)/C(C#N)=C/c2ccc(O)cc2)CCC1=O	491009081	JKBYIPZZRJQBQL-SSUFTNFISA-N	313.357	1.378	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)c2ccccc21	905333135	ZKSSSABTQHZCJA-NZVBXONLSA-N	311.341	1.164	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)[C@@H]2CCCCO2)c(C)c1	836363583	QVUXFMSNLRBMMO-AWEZNQCLSA-N	321.377	1.403	50	20	DDGD	
CCCN1C[C@H](C(=O)NNc2nc3ccccc3[nH]2)CC1=O	839716160	LVUMZJAVVFCCPC-SNVBAGLBSA-N	301.350	1.265	50	20	DDGD	
CC(C)C[C@]1(C)CCCN1C(=O)c1ccc(B(O)O)c(F)c1	584994796	FCGLDJUXGHFLKA-INIZCTEOSA-N	307.174	1.546	50	20	DDGD	
COc1ccc(C[C@@H](C)CNCc2ccc(B(O)O)cc2)cc1	585031837	LBVHSXVMPDPKIY-CQSZACIVSA-N	313.206	1.343	50	20	DDGD	
COC[C@@H](Cc1ccccc1)NC(=O)NNc1ccncn1	836339330	QAQKLNFZJCVZCF-CYBMUJFWSA-N	301.350	1.360	50	20	DDGD	
CCN(CC)[C@@H](CNCc1ccc(B(O)O)o1)c1ccccc1	585014012	GAJPUJAEXAADNA-INIZCTEOSA-N	316.210	1.132	50	20	DDGD	
CC(C)[C@@H](NC(=O)O)C(=O)NNC(=O)c1cccc(Cl)c1	736375884	RAWSHWWEEORWII-SNVBAGLBSA-N	313.741	1.393	50	20	DDGD	
O=C(CN1CCC[C@H]1c1ccc(F)c(F)c1)NNC(=O)C1CC1	733198304	HPEVDOAXALAKNP-AWEZNQCLSA-N	323.343	1.659	50	20	DDGD	
C[C@H](CCCC(F)(F)F)NC(=O)c1cc(B(O)O)ccc1F	584981222	AFOVDTJVAVZUAJ-MRVPVSSYSA-N	321.079	1.356	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N[C@@H](C)CC(=O)NC)c1ccccc1	836630809	QTXOYJPIIUFOHG-WCQYABFASA-N	320.393	1.035	50	20	DDGD	
O=C1CCCN1Cc1ccc(NCc2cccc(B(O)O)c2)cc1	585012209	PHIJRBQLYOKQAA-UHFFFAOYSA-N	324.189	1.101	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1scnc1Cl	731493275	UKPQJSGYBONCOI-UHFFFAOYSA-N	311.750	1.880	50	20	DDGD	
C[C@@H](Sc1ccccc1Cl)C(=O)N1CC[C@H](B(O)O)C1	585068977	JWZDROLVBVHRQV-ZJUUUORDSA-N	313.615	1.896	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)c1cc2ccccc2cc1O	732527219	NUFBPCRVQKHULU-UHFFFAOYSA-N	320.370	1.696	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc2c(c1)OCCO2	831041537	DWEOPUFJLWEHQR-GXSJLCMTSA-N	321.333	1.036	50	20	DDGD	
C/C(NNC(=O)C[n+]1ccccc1)=C1/C=Cc2ccccc2C1=O	916271353	RSDAHFNXVAWDBX-UHFFFAOYSA-O	320.372	1.779	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](NC(=O)NNC(=O)[C@@H]2CCCCO2)CCO1	836384616	KHMHYXSBDWZOAN-AVGNSLFASA-N	313.398	1.090	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccc(OCC(F)F)cc1	741812482	VOBMSTCXVNCAQG-UHFFFAOYSA-N	313.304	1.305	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CCN(C)[C@H](C)C2)cc1C	741462015	HHQJXKNAXYGPKC-CYBMUJFWSA-N	316.405	1.828	50	20	DDGD	
CCCc1noc(CCCC(=O)NNC(=O)CC(F)(F)F)n1	918367340	SLXQTWLZPHMWMX-UHFFFAOYSA-N	322.287	1.445	50	20	DDGD	
CC(C)C(=O)NNC(=O)CSCc1nc2ccccc2[nH]1	915775650	FJUHLVPLHHMOLD-UHFFFAOYSA-N	306.391	1.600	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2O)cn1	918359191	PINUZTFJRNTUSB-UHFFFAOYSA-N	305.721	1.824	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C1CC1)C1(CO)CCOCC1	911982888	OUJCRCPNSGTFJE-JWAFFJSPSA-N	308.378	1.114	50	20	DDGD	
CC(=NNC(=O)Cc1cn2ccccc2n1)c1cc2n(n1)CCC2	841628018	JIMRVWXXZOGEQR-UHFFFAOYSA-N	322.372	1.560	50	20	DDGD	
C=CCOc1cccc(C=NNC(=O)[C@@H](C)OCCOC)c1	748260540	VTMSHJWAEKEIQK-CYBMUJFWSA-N	306.362	1.753	50	20	DDGD	
Cc1noc(C)c1C=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1	916366391	URJKTEAEWJBYKZ-UTUOFQBUSA-N	322.409	1.487	50	20	DDGD	
O=C(NNc1cccnn1)[C@H]1CCO[C@H](c2ccccc2)O1	847717057	YGVIXDKVPNBJQR-DOMZBBRYSA-N	300.318	1.424	50	20	DDGD	
N#CSCCCNS(=O)(=O)CC1(C#N)CCCCC1	916985916	XFNABTFARZWJDH-UHFFFAOYSA-N	301.437	1.984	50	20	DDGD	
C[C@H]1CCCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C1	744385563	WIDKZLQTMYENGO-LBPRGKRZSA-N	300.362	1.051	50	20	DDGD	
C[C@H](CCCN)NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	842000263	UTVLIVSBLCXAQW-SFCYXTAJSA-N	322.453	1.661	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H](CC(C)C)OC)cc1	841435387	RLGGWZDAKUGFML-CYBMUJFWSA-N	309.366	1.909	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H]1CCOC2(CCC2)C1)C1CC1	912159311	FYMOULGKYWBYCC-CMPLNLGQSA-N	311.451	1.630	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNC(=O)Nc1ccccc1C	840446807	YERFHUZITVPYCN-NSHDSACASA-N	307.350	1.737	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1	841325452	LAKAOLMBKQGCNI-UHFFFAOYSA-N	318.299	1.973	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)c1ncccn1)c1ccccc1	841594447	UXJBYLXDLUKDNK-GFCCVEGCSA-N	313.361	1.614	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1	910167034	BYJHSGUCPKFWEL-GOEBONIOSA-N	305.422	1.242	50	20	DDGD	
CC(=O)c1cc(NC(=O)C(=O)NNC(=O)CC(C)C)ccc1C	847503239	JRWRYIXEBRSKJA-UHFFFAOYSA-N	319.361	1.330	50	20	DDGD	
Cc1c(NNC(=O)NCC2CCNCC2)cccc1[N+](=O)[O-]	841924159	VGXUXOQLROYHBF-UHFFFAOYSA-N	307.354	1.529	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccnn1-c1ccccc1	843658293	UHPRBIJHCGJIKI-DGCLKSJQSA-N	314.345	1.058	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCc1cccc(OC(C)(C)C)n1	910165722	LSSSNYFIQGHTFQ-LBPRGKRZSA-N	309.410	1.535	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)Cc1coc2cc3c(cc12)CCC3	910181407	RYRQDLAIGAUCMR-LLVKDONJSA-N	302.374	1.808	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2scc3c2OCCO3)n1	847311718	AZZXQTSISLCJRK-UHFFFAOYSA-N	306.347	1.683	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cnn(-c2ccccc2)c1C(F)F	910138796	LXOZRXJCIBNJHE-SNVBAGLBSA-N	324.331	1.767	50	20	DDGD	
CCCNC(=O)NNC(=O)c1c(F)cccc1Br	749360150	ZPLGGSBDNBVEGB-UHFFFAOYSA-N	318.146	1.942	50	20	DDGD	
CNCCCNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	841914527	FCYAIJIDKMVZIX-UHFFFAOYSA-N	306.410	1.538	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C[C@@H](OC)[C@@H]2CCOC2)c1	841611279	ZQLQCYUEBALODZ-IAQYHMDHSA-N	322.361	1.471	50	20	DDGD	
CC(=NNC(=O)C1CCC1)c1ccc(S(C)(=O)=O)c(F)c1	741763294	GKTBXGQMQQLSJI-UHFFFAOYSA-N	312.366	1.870	50	20	DDGD	
Cn1ccnc(NNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1=O	747938069	PCWOPLDVNPTXER-UHFFFAOYSA-N	323.696	1.099	50	20	DDGD	
C[C@@H](CBr)CN1CCC(n2cnnc2O)CC1	846886528	XVSDUWJRIOKDEW-VIFPVBQESA-N	303.204	1.652	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc3nc[nH]c3n2)n1	758276914	GTDUSQYHGCNXRP-UHFFFAOYSA-N	303.713	1.467	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(-c2nnc(N(C)C)o2)cc1	757720587	UVNAKAJCPQWQRA-UHFFFAOYSA-N	318.337	1.365	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H]1CCCCS1	854284035	UXSRLWBFVOSASU-JTQLQIEISA-N	305.469	1.146	50	20	DDGD	
CC(C)(C)n1nc(C(=O)NNC(=O)c2cc[nH]n2)cc1C1CC1	855359072	DULNCORZJUIGQQ-UHFFFAOYSA-N	316.365	1.313	50	20	DDGD	
CN(CCO[Si](C)(C)C(C)(C)C)c1nccn2nnnc12	853694512	PEOGBHCQMCSCPN-UHFFFAOYSA-N	308.462	1.977	50	20	DDGD	
Cc1nnc2n1C[C@H](C(=O)NNc1ccccc1[N+](=O)[O-])CC2	750716344	ZBXKDYOAURWWPB-SNVBAGLBSA-N	316.321	1.200	50	20	DDGD	
CC(C)C(=O)NNC(=O)/C=C/c1ccc(OCCN(C)C)cc1	929287558	JIVQASYLUINORO-JXMROGBWSA-N	319.405	1.444	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2C[C@H]2C2CC2)cc1OC	751211425	QLYDUVLSCCAKLF-RYUDHWBXSA-N	304.346	1.511	50	20	DDGD	
COCC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)C1CCCC1	853389823	ZXOWHKTXYDEDHI-HIFRSBDPSA-N	309.410	1.158	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cc(C(C)(C)C)nn1C)C1CC1	855103765	ZFPPASQOTCYDQI-SECBINFHSA-N	323.466	1.625	50	20	DDGD	
C[C@H]1C[C@@H]1C=NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1	758367695	ZMDPZDRRWNJMIA-IONNQARKSA-N	315.782	1.359	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc3c(c2)COC3)nc1	759737874	HZMBDNCWNZCJDV-UHFFFAOYSA-N	313.313	1.655	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1cnc2n1CCCCC2	857149877	GOTXCLAQOQFYOF-UHFFFAOYSA-N	305.769	1.837	50	20	DDGD	
COC[C@H](C)OC[C@H](O)CNC[C@]1(C)C[C@H]1Br	857240395	JRZICBLTGDQELA-QCNOEVLYSA-N	310.232	1.162	50	20	DDGD	
CCC(CC)(C(=O)NNc1cnnn1C)C(=O)OC(C)(C)C	857270071	NFODRJQBIIFRHE-UHFFFAOYSA-N	311.386	1.406	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=C[C@H]1C[C@H]2C=C[C@H]1C2	755678612	JUNIEXNXANFJDP-SDDRHHMPSA-N	303.387	1.792	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CC2(O)CCCC2)ccc1C	857267886	SVJZHQSKJNQMOQ-UHFFFAOYSA-N	306.362	1.920	50	20	DDGD	
COc1cc(CC(=O)NNc2cc(Cl)nc(N)n2)ccc1O	857486394	KKXFEBZBFGHAKF-UHFFFAOYSA-N	323.740	1.112	50	20	DDGD	
O=C(NCc1nnnn1CC1CC1)NNc1ccc(F)c(F)c1	922026825	RMDIJLCLBCUNNM-UHFFFAOYSA-N	323.307	1.188	50	20	DDGD	
C[C@@H]1C(=O)N(C[C@]2(C)C[C@@H]2Br)C(=O)N1C1CC1	857227613	QUSNRJJSSNABMZ-FDOIEUKUSA-N	301.184	1.975	50	20	DDGD	
CNC(=O)C[C@@H](C)NC(=O)NNc1ccc(F)cc1Cl	922748181	PONPFGJBCOPMNV-SSDOTTSWSA-N	302.737	1.630	50	20	DDGD	
COc1ccc(NNC(=O)c2cn(C)nn2)c(C(F)(F)F)c1	857264783	MRVNJEGAUCSMOJ-UHFFFAOYSA-N	315.255	1.599	50	20	DDGD	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NNC(=O)c1cc[nH]n1	855359614	YIKXRNAOMVNOMZ-YRGRVCCFSA-N	322.409	1.648	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCc1nnc2n1CCOC2	854018579	MQAPOGXUFLVCCU-UHFFFAOYSA-N	320.328	1.082	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=Cc1ccc([N+](=O)[O-])o1	750945155	HGZLMPOLOVYQQL-UHFFFAOYSA-N	322.302	1.129	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(N2CCSCC2)cc1	756729747	IKLQYMILGZXXRR-UHFFFAOYSA-N	308.407	1.803	50	20	DDGD	
CSCC1(CCNC(=O)NNC(=O)c2cccc(C)n2)CC1	852294002	SQOAZICXNGBKKU-UHFFFAOYSA-N	322.434	1.867	50	20	DDGD	
CCNc1nc(C)c(C(=O)NNC(=O)Cc2cccnc2)s1	759240768	PEVNVFKIVCXLGD-UHFFFAOYSA-N	319.390	1.282	50	20	DDGD	
C[C@]1(CNC(=O)NCC2=CCNCC2)C[C@H]1Br	857103456	JMSJSOALXLKUJY-ZYHUDNBSSA-N	302.216	1.379	50	20	DDGD	
N#Cc1cccc(NNC(=O)NC[C@@H]2CCCCS2(=O)=O)c1	753259240	ADQMMIBMFQRDGD-ZDUSSCGKSA-N	322.390	1.152	50	20	DDGD	
Cc1ncc(C=NNC(=O)[C@@H](C)Oc2ccccc2F)n1C	853274659	WPHGFWOBWLYBSS-SNVBAGLBSA-N	304.325	1.785	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cc1ccc2c(c1)COC2)C1CC1	758690472	QJBULHHNSZXOKH-JTQLQIEISA-N	319.430	1.553	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cn1cc2ccccc2n1)C1CC1	855101670	XMUHGDWIMYUBJQ-SNVBAGLBSA-N	317.418	1.330	50	20	DDGD	
CC(Cn1cncn1)=NNC(=O)CSc1ccc(C)cc1	853275351	HMYNUWUBJXVIFB-UHFFFAOYSA-N	303.391	1.871	50	20	DDGD	
COC(=O)c1coc(C=NNC(=O)[C@@H](C)CN2CCCCC2)c1	758097926	YNZGTZSSGVPLPO-LBPRGKRZSA-N	321.377	1.638	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)c1ccnc(-n2cncn2)c1	857533056	GEDXRUMCMHAZPL-UHFFFAOYSA-N	317.259	1.092	50	20	DDGD	
C[C@H](NNC(=O)c1ccc(Cn2ccnn2)cc1)C(F)(F)F	862323485	VZXMWTRVRFGABQ-VIFPVBQESA-N	313.283	1.512	50	20	DDGD	
CN(NC(=O)[C@@H]1CCCN(CC(F)F)C1)C(=O)OC(C)(C)C	868857561	UAAZQINUZHOMEQ-SNVBAGLBSA-N	321.368	1.862	50	20	DDGD	
COCC(=O)COC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	869459183	AYEILXPURSFKDG-MKPLZMMCSA-N	305.168	1.699	50	20	DDGD	
Cc1ccn2ncc(C(=O)NNC(=O)c3cccc(C#N)c3)c2c1	766839424	IOERWDWSXNZADF-UHFFFAOYSA-N	319.324	1.589	50	20	DDGD	
CSc1ccccc1NC(=O)C(=O)NNC(=O)c1ccc[nH]1	763980076	UCARLTGFZRHLSD-UHFFFAOYSA-N	318.358	1.136	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cc2cccc([N+](=O)[O-])c2[nH]1	760906147	QXQARHDYOBDOLQ-UHFFFAOYSA-N	316.252	1.762	50	20	DDGD	
C[C@H]1CN(C[C@@H](C)C(=O)NN=C2CCC(O)CC2)C[C@@H](C)O1	761777296	IWHCEVJHIWORDA-DPORPMIOSA-N	311.426	1.139	50	20	DDGD	
COCCOCC(=O)NNC(=O)C1(c2ccc(F)cc2)CCC1	869913169	VXPCUMANWIZYMF-UHFFFAOYSA-N	324.352	1.058	50	20	DDGD	
CCOCCNC(=O)COC(=O)[C@H](Br)C(C)(C)C	766749805	DVYGMFDGFHMCFU-JTQLQIEISA-N	324.215	1.492	50	20	DDGD	
CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)CC(C)(C)CCl	866728729	BWWAUAAZQXUPSP-JTQLQIEISA-N	310.847	1.038	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2cc(C(C)C)nn2C)c1	862478836	SIVJFQNIKOHCBZ-UHFFFAOYSA-N	306.391	1.988	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@@H]1CCCN(CC(F)F)C1	869019419	CAFUKJNDRQQGDA-SSDOTTSWSA-N	317.258	1.063	50	20	DDGD	
CCC/C=C/C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	765323943	VIIDRJCHFXPUEE-VQHVLOKHSA-N	313.398	1.795	50	20	DDGD	
CCCC1(C(=O)NNc2nc3ccccc3c(=O)n2C)CC1	760589513	UMQMBJLVBHSTMM-UHFFFAOYSA-N	300.362	1.957	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H](OC)C(C)C)c1	769743292	NOEMSKMMHNOJDQ-ZDUSSCGKSA-N	310.350	1.136	50	20	DDGD	
O=C(NCC1CC1)C(=O)NNc1nc2ccccc2[nH]c1=S	862292118	AOWXGRULGXZIKA-UHFFFAOYSA-N	317.374	1.262	50	20	DDGD	
COc1ccc(NCc2ccc(B(O)O)cc2)c2ncccc12	864032525	OSEFMXWSGXNTAY-UHFFFAOYSA-N	308.146	1.535	50	20	DDGD	
COCCOc1ccc(NC(=O)NNc2cnccn2)cc1	769949499	RCOWMXDHLSGTJD-UHFFFAOYSA-N	303.322	1.650	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(=O)c2ccc(Cl)cc2)n[nH]1	768277600	MMLORPSKOUHGGC-UHFFFAOYSA-N	306.709	1.015	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnc([C@H]2CCCO2)s1	760371867	NAXBLSAJPGYDRL-MRVPVSSYSA-N	312.420	1.290	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)Nc1cccc2c1CCO2	879447238	HKJYTBIQMINHAF-UHFFFAOYSA-N	305.334	1.201	50	20	DDGD	
COC(=O)N(C)NC(=O)NC1CCC(N2CCCCC2)CC1	875353898	DKFXQDBSAVTMPL-UHFFFAOYSA-N	312.414	1.696	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCCCN1CCC(C)CC1	875077224	DBSOHIWGJOALKF-UHFFFAOYSA-N	300.403	1.411	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H]1CC(=O)N(C2CC2)C1	772817714	ZQTOCGSGXMUMQQ-JTQLQIEISA-N	303.366	1.054	50	20	DDGD	
O=C(COCc1ccncc1)NNC(=S)Nc1ccccn1	1119054989	ZMDFPXIRLXZSPF-UHFFFAOYSA-N	317.374	1.011	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=S)Nc2cccc(C)c2)n1	873776883	HQQXLTKMSLEPFF-UHFFFAOYSA-N	318.406	1.546	50	20	DDGD	
CC(=NNC(=O)CCN1CCCCCC1)c1cnn(C)c1C	778540803	ULKSXIIJNWOKLI-UHFFFAOYSA-N	305.426	1.835	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@](C)(OC)C2CC2)c1	874952309	QJSUEKBGZYRJHH-MRXNPFEDSA-N	317.414	1.801	50	20	DDGD	
C[C@H](CBr)COC(=O)CCCNC(=O)C1CC1	770339350	TWKDTZPQNNZWHV-SECBINFHSA-N	306.200	1.867	50	20	DDGD	
C[S@](=O)c1ccc(NC(=O)NNC(=O)CC(F)(F)F)cc1	1116567286	CMWIXCNMURIOPY-NRFANRHFSA-N	323.296	1.529	50	20	DDGD	
CCCCc1nnc(NC(=O)NNc2ncc(F)cn2)s1	775446940	GCXJJVCYFOGULF-UHFFFAOYSA-N	311.346	1.958	50	20	DDGD	
C[C@@H](CBr)CN1CCCC[C@H](S(C)(=O)=O)C1	770003203	XTDKKFJQTZMQNY-QWRGUYRKSA-N	312.273	1.917	50	20	DDGD	
O=C(NNC(=O)c1c(O)cccc1O)c1ccc(Cl)cc1O	770403487	ZITHJCTWGKKNRJ-UHFFFAOYSA-N	322.704	1.532	50	20	DDGD	
CCn1[nH]c(C)nc1=NC(=O)NNc1cccc(F)c1Cl	888546943	BIVXUAOYETXTAG-UHFFFAOYSA-N	312.736	1.969	50	20	DDGD	
CC#CCCNC(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	774975858	DIABWJYMKZYGAY-NSHDSACASA-N	323.780	1.851	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1ccn(C)c(=O)c1	773624672	BLPLTZBLNUABJL-UHFFFAOYSA-N	319.292	1.068	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)C(=O)Nc1cccc2cc[nH]c12	773496064	JUAKNXLVVQOILD-UHFFFAOYSA-N	314.345	1.444	50	20	DDGD	
C[C@H](CBr)CN1CCN(C(=O)N2CCCC2)CC1	770647199	ZEVBFYXLNGOQQK-GFCCVEGCSA-N	318.259	1.851	50	20	DDGD	
O=C(NNC(=O)C1(c2ccccc2)CCC1)C1CCOCC1	883061122	JHOBDNJCTSGHIF-UHFFFAOYSA-N	302.374	1.682	50	20	DDGD	
O=C(CC1CCCC1)NCC(=O)NNc1ncncc1Cl	781825170	LSFIANMMFGZWEZ-UHFFFAOYSA-N	311.773	1.270	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccc(Br)c1O	780712341	QRUFSKKPTOAXQM-UHFFFAOYSA-N	316.155	1.461	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@]1(O)CCc2ccccc2C1	785713711	RSALYYOKSZZETA-LJQANCHMSA-N	324.380	1.676	50	20	DDGD	
CN(CCc1ccccc1F)S(=O)(=O)CBr	782439799	NAHHTKPWXGFINI-UHFFFAOYSA-N	310.188	1.982	50	20	DDGD	
COC(=O)CCC(=O)COC(=O)[C@H](Br)C(C)(C)C	784733081	LRHLSWIAUOYBET-JTQLQIEISA-N	323.183	1.862	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)Nc2noc(C)n2)cc1	781109506	CGMRLAQLGJXDDN-UHFFFAOYSA-N	322.350	1.410	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C/c1cnc(N2CCCC2)nc1	786042948	NUQMXERJYZDIKY-MDWZMJQESA-N	306.391	1.766	50	20	DDGD	
CCn1nc(C2CC2)cc1C(=O)NNc1ccnc(N(C)C)n1	895274606	BRNLKSOXBYDQOJ-UHFFFAOYSA-N	315.381	1.393	50	20	DDGD	
O=C(C[C@@H](O)c1cccc(F)c1)NNc1ncncc1Cl	781830310	SXSWCEMQYSZYQM-LLVKDONJSA-N	310.716	1.836	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C)cc1)c1cc(C)n(C)n1	799871287	RZKVVVSKXQOCAF-UHFFFAOYSA-N	300.362	1.956	50	20	DDGD	
CO[C@@]1(C(=O)NNc2ccc([N+](=O)[O-])cc2F)CCSC1	898715158	XJZHCWGUHPONNO-LBPRGKRZSA-N	315.326	1.699	50	20	DDGD	
C=C(CBr)COC(=O)[C@@H]1CCN(C(=O)CC)C1	795562940	YOKUKFUEZXCPEL-SNVBAGLBSA-N	304.184	1.739	50	20	DDGD	
Cc1ccc2c(c1)CC[C@@H](C(=O)NNc1ncc(F)cn1)O2	793746978	MBNCGXGWVBATRY-ZDUSSCGKSA-N	302.309	1.761	50	20	DDGD	
C#CCOc1ccc(C(C)=NNC(=O)C[n+]2ccccc2)cc1	794457314	NRDPCMKLNOAEKT-UHFFFAOYSA-O	308.361	1.527	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)c2cccnc2)c1F	794603840	ASTPUIONTLXGLB-UHFFFAOYSA-N	317.320	1.623	50	20	DDGD	
CC1=CCCN(CC(=O)NNC(=O)c2cccc(Cl)c2)C1	797997459	VXFNVWWZUSQKES-UHFFFAOYSA-N	307.781	1.753	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1nnc2ccccc2n1	798153846	IRWYQKLKUZNXKR-UHFFFAOYSA-N	307.313	1.408	50	20	DDGD	
O=C(CCc1cnccn1)NNC(=O)c1ccc2ccccc2n1	792764523	UGKILHAQFRVSCW-UHFFFAOYSA-N	321.340	1.419	50	20	DDGD	
N#CC[C@H](CC(=O)NNC(=O)N1CCOCC1)c1ccccc1	793275119	WEAFDCUCFNZREW-CQSZACIVSA-N	316.361	1.147	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]1C1CC1)c1cncn1-c1ccccc1	1319034065	LMGPNOIZSTXCRU-KBPBESRZSA-N	310.357	1.679	50	20	DDGD	
COc1ccc2cc(C(=O)NNC(=O)c3c[nH]nc3C)ccc2c1	1318479159	PKOFHXQTDJRHHX-UHFFFAOYSA-N	324.340	1.955	50	20	DDGD	
CO[C@@]1(CNC(=O)NNc2ccc(C(C)(C)C)nn2)CCOC1	1323941210	OOQQGCZLZWRNQJ-OAHLLOKOSA-N	323.397	1.206	50	20	DDGD	
Cc1nc(-c2ccc(C)c(NC(=O)NNC(=O)C(C)C)c2)n[nH]1	1320857298	JEEVKWFJRRGCLV-UHFFFAOYSA-N	316.365	1.897	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)CCO)ccc1C(F)(F)F	1324922805	YPWTWFIVRATTBP-UHFFFAOYSA-N	321.255	1.249	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCC1CCC(C)(C)CC1	1326753823	YSSCDHDUQSVVTB-YPMHNXCESA-N	311.426	1.958	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ncc(Cl)s1	1256301814	NGZUZDCKTHTELX-UHFFFAOYSA-N	310.857	1.268	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)c1nnc(O)c2ccccc12	1337072935	LCMKJJQJIUGFCK-UHFFFAOYSA-N	324.344	1.395	50	20	DDGD	
C[C@]1(Cn2nnnc2N2CCSCC2)C[C@@H]1Br	1336187596	QRQXLWXEHFEYEQ-WCBMZHEXSA-N	318.244	1.400	50	20	DDGD	
CSc1ccc(Cl)c(NC(=O)NNC(=O)CCO)c1	1330237868	PPXSJTYDIIQTDE-UHFFFAOYSA-N	303.771	1.597	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)[C@@H]2CCc3nnc(O)n3C2)c1	1338917605	FIEOOLUHFPYUCH-LLVKDONJSA-N	301.350	1.306	50	20	DDGD	
CCCn1cc(C(=O)NNC(=S)Nc2ccccn2)c(C)n1	1337407957	AGKMYSULMNLWQZ-UHFFFAOYSA-N	318.406	1.628	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CC[C@@]2(CCOC2=O)C1	1337667671	NFCFOYAOLABEKR-JZUUQJBKSA-N	312.325	1.465	50	20	DDGD	
CS(=O)(=O)N1CCC[C@H](NC(=O)C2CCC(Cl)CC2)C1	1263712523	GWUHJCHFELLCMN-MCIGGMRASA-N	322.858	1.324	50	20	DDGD	
COc1cccc(NNC(=O)NCc2cc(C3CC3)nn2C)n1	1344575724	HNVZAPLUQZXKNY-UHFFFAOYSA-N	316.365	1.527	50	20	DDGD	
CCCN1C[C@H](C(=O)OC[C@]2(C)C[C@@H]2Br)CC1=O	1344034143	DSJOASKRHRUJIL-NRUUGDAUSA-N	318.211	1.962	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	1348100023	OSEBSBPBTNMMCN-ZDUSSCGKSA-N	321.377	1.286	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(C(C)C)nn1CC	1342860323	JMRPLPYXRSHJLW-JTQLQIEISA-N	324.381	1.129	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)cc(C)c1C(=O)NCCCSC#N	1605514006	VFRKGKQFHSSHSS-UHFFFAOYSA-N	316.390	1.818	50	20	DDGD	
C[C@@H]1CC[C@H](CNC(=O)NNc2ccc(C(=O)O)cc2F)O1	1609847404	FXMJLAVUXNSXEG-PSASIEDQSA-N	311.313	1.718	50	20	DDGD	
O=C(CN1CCCCCC1=O)NNc1cccc(C(=O)O)c1	1601313298	OKJSEBIDEWIWFS-UHFFFAOYSA-N	305.334	1.231	50	20	DDGD	
Cc1ccc(C(=O)NN=c2cc[nH]c3cccnc23)cc1C(=O)O	1607731973	MPYQCAPTYDQADP-UHFFFAOYSA-N	322.324	1.815	50	20	DDGD	
Cc1ccc(NNC(=O)CN2CCCCC2=O)cc1C(=O)O	1607809733	BBNLGAJGQVIALY-UHFFFAOYSA-N	305.334	1.149	50	20	DDGD	
C[C@H](NC(=O)C(C)(C)C)C(=O)NNc1cccc(C(=O)O)c1	1609760934	KACVCSBKJUDJLW-VIFPVBQESA-N	307.350	1.379	50	20	DDGD	
Cc1c(NNC(=O)CCCn2cccn2)cccc1C(=O)O	1600052778	SIVABLIBQVKSPU-UHFFFAOYSA-N	302.334	1.813	50	20	DDGD	
O=C(O)C[C@@]1(NC(=O)C2CCC(Cl)CC2)CCCOC1	1601925051	KQRXUWJVKWPVGW-MGULZYLOSA-N	303.786	1.924	50	20	DDGD	
Cn1c(=NNC(=O)c2ccc(C(=O)O)o2)sc2ccccc21	1608076314	UQSVBMBIKHDYGQ-UHFFFAOYSA-N	317.326	1.777	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCS1)Nc1ccc(C(=O)O)cc1	1608476924	CDDNIHLFEINTEP-JTQLQIEISA-N	309.347	1.433	50	20	DDGD	
CCC(CC)(C(=O)O)C(=O)NNc1ccc(C(=O)OC)cn1	1603525946	MBAXSWWNXIHSLD-UHFFFAOYSA-N	309.322	1.202	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NN=Cc2cc(C(=O)O)no2)c1	1607628224	ATNQFMRDSOKMCC-UHFFFAOYSA-N	317.301	1.519	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@@H]1C[C@H]1C1CCOCC1	1606528758	QLQDTTZXMKZPTD-NWDGAFQWSA-N	305.334	1.286	50	20	DDGD	
CCNC(=O)N(C)N=Cc1cc(C)c(OCC(=O)O)c(C)c1	1605492663	BLLPRVSDNGXCTR-UHFFFAOYSA-N	307.350	1.762	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)c(F)c1)c1ccc2nc[nH]c2n1	1608481884	TYNNMLSUYSWLLH-UHFFFAOYSA-N	315.264	1.552	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@H](Cc1ccc(F)cc1)C(=O)O	1605504014	QOLYIPCTBIIONE-YGNAEDSMSA-N	306.293	1.382	50	20	DDGD	
Cc1nc(C)c(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)s1	1549318782	RDOPKMCEWCYLCY-RYUDHWBXSA-N	308.407	1.073	50	20	DDGD	
CCc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)cc1	1549314608	JGNOEJIBJKKAGW-JKSUJKDBSA-N	301.390	1.562	50	20	DDGD	
C#CC[C@]1(C(=O)NNC(=S)Nc2cccc(C)c2)CCCN1	1574526204	ZAOBVHZJPZAUBZ-MRXNPFEDSA-N	316.430	1.458	50	20	DDGD	
CCCCCCCC[C@@H](N)C(=O)NNC(=O)c1cnn(C)c1	1577430254	XFPRTYBNVUUGML-CYBMUJFWSA-N	309.414	1.259	50	20	DDGD	
CNCCCCC(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1	1578683651	KTIUCYIIACXECL-UHFFFAOYSA-N	321.406	1.289	50	20	DDGD	
CC[C@@H]1NCC[C@H]1C(=O)NNC(=O)COc1ccc(C)c(C)c1	1577309650	YMEXNZZVZQJXHY-CABCVRRESA-N	319.405	1.218	50	20	DDGD	
Cc1nsc(NC(=O)NNc2ncccc2C(=O)O)c1C#N	1574444137	UMGRMZQETVTJHJ-UHFFFAOYSA-N	318.318	1.565	50	20	DDGD	
CC(C)[C@H](C(=O)O)C(=O)NNC(=O)Cn1ccc2ccccc21	1588808063	PFRGAIOPVHIRPO-AWEZNQCLSA-N	317.345	1.146	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1ccccc1CC(=O)O	1589740796	IQYDVKZFZBBUMT-UHFFFAOYSA-N	321.377	1.580	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)c1cocn1	1593161669	BAJANGUJSODZTE-UHFFFAOYSA-N	305.685	1.265	50	20	DDGD	
CCOCCONC(=O)NNc1ccc(F)c(C(=O)O)c1	1596938507	QWVVNWUPORDBRP-UHFFFAOYSA-N	301.274	1.118	50	20	DDGD	
O=C(O)CC[C@H]1CCCN(CCI)C1	1595018958	IGDMJQCVAPYUDN-SECBINFHSA-N	311.163	1.998	50	20	DDGD	
CCc1cc(NNC(=O)[C@H](C)C(=O)O)nc(-c2ccccn2)n1	1593634402	UIRAXBULDIKTFQ-VIFPVBQESA-N	315.333	1.265	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1cc2n(n1)CCC2	1599376530	OPQITAHATQBSFV-UHFFFAOYSA-N	316.317	1.293	50	20	DDGD	
Cc1nsc(C=NNC(=O)NCc2ccco2)c1C(=O)O	1776039230	ZJPCSBRROAMVBM-UHFFFAOYSA-N	308.319	1.576	50	20	DDGD	
O=C(COc1ccccc1F)NN=Cc1ccc(C(=O)O)nc1	1776020341	DUZHFCQJZRPBMW-UHFFFAOYSA-N	317.276	1.448	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NN=Cc1cccc(OCCC(=O)O)c1	1776101828	AHQMKXVHRXFRBD-KGLIPLIRSA-N	320.345	1.415	50	20	DDGD	
O=C(O)c1cnc2c(c1)C(=NNC(=O)c1cnccn1)CCC2	1776029403	OCKHAOWWHLZJMH-UHFFFAOYSA-N	311.301	1.040	50	20	DDGD	
O=C(NN=Cc1sccc1C(=O)O)c1ccc2c(c1)OCO2	1776019475	VVVMTOBMHLMMNZ-UHFFFAOYSA-N	318.310	1.939	50	20	DDGD	
O=C(O)c1cnc2c(c1)C(=NNC(=O)[C@H]1CCCCO1)CCC2	1776077667	PAZZZISEDRRGKX-CQSZACIVSA-N	317.345	1.506	50	20	DDGD	
COCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Cl)C2	1792946373	CVRIDSJSRUDOHB-LSCVPOLPSA-N	320.792	1.586	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](CC)c1ccc(F)cc1F	161971107	FUOOJAQAKCINIQ-GFCCVEGCSA-N	315.320	1.783	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)Cn2cc([N+](=O)[O-])nc2C)c1	158827055	MBZSFUZTUCBLGD-UHFFFAOYSA-N	303.322	1.860	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCSc2ccccn2)[nH]n1	153372042	BWGMSDIOXXCGNM-UHFFFAOYSA-N	305.363	1.057	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNc2ncccc2[N+](=O)[O-])cc1	153590681	BNTSDHVWPXRWLA-UHFFFAOYSA-N	315.289	1.705	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@H](Cc1ccccc1)C1CC1	154149311	IJSIFMRKIVSULY-OAHLLOKOSA-N	312.373	1.980	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc(F)cc2cccnc12	157439241	QKIYBMHPUVNIJH-UHFFFAOYSA-N	312.304	1.787	50	20	DDGD	
O=C(CNC1CC1)NNc1nc(-c2ccc(Cl)cc2)no1	154409592	JLORYDNSDBJXCY-UHFFFAOYSA-N	307.741	1.585	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)COc2ccc(F)cc2)c1	7764961	ILMUOBRAQYBELA-UHFFFAOYSA-N	318.304	1.674	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)c1c[nH]c2ccccc12)N(C)C	106902369	SDUGEQJYBRMHHE-CQSZACIVSA-N	302.378	1.515	50	20	DDGD	
C[C@H]1CCc2c(C(=O)NNC(=O)Cc3cc[nH]n3)csc2C1	106451902	HAUXKCGRTXLARS-VIFPVBQESA-N	318.402	1.600	50	20	DDGD	
O=C(NNC(=O)c1sccc1OC(F)F)c1cccnc1	104198797	WOMZAMILIBPUTJ-UHFFFAOYSA-N	313.285	1.819	50	20	DDGD	
C[C@@H]1CCC[C@@H](OCC(=O)NNC(=O)c2ccc(C#N)cc2)C1	112632409	QSAIZBWHSYXMOC-IUODEOHRSA-N	315.373	1.915	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)CO[C@H]2CCCC[C@@H]2C)n1	112853057	PNRVHOQUPHCOHZ-FZMZJTMJSA-N	322.409	1.243	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1c[nH]c2ccccc2c1=O	114896550	ZGCUFGPJRADJQI-UHFFFAOYSA-N	315.720	1.728	50	20	DDGD	
CNc1snc(C)c1C(=O)NNC(=O)Cc1ccccc1F	66839754	MVTSKJWPOFJSOL-UHFFFAOYSA-N	322.365	1.636	50	20	DDGD	
Cc1cccnc1NC(=O)NNC(=O)CCc1ccccc1O	171547115	DKGKUZQMLGBRDW-UHFFFAOYSA-N	314.345	1.881	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccnc2ccccc12	68461464	ZBZDCDYGKNUKRD-UHFFFAOYSA-N	302.334	1.215	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)Cc1c[nH]c2ccccc12	174964156	LFMRGGYLPPIJJO-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
N#Cc1ccc(NNC(=O)CNC(=O)c2ccc(C#N)cc2)cc1	120029238	RNXHREIIOALSLG-UHFFFAOYSA-N	319.324	1.303	50	20	DDGD	
CS(=O)(=O)Cc1cccc(NC(=O)NNc2ccncc2)c1	121926387	YAACRIUOPWOCJN-UHFFFAOYSA-N	320.374	1.775	50	20	DDGD	
O=C(NNC(=O)c1ccc(Oc2cccnc2)cc1)NC1CC1	64427422	IXGRCAAVNQWXAL-UHFFFAOYSA-N	312.329	1.980	50	20	DDGD	
Cc1c(C#N)cccc1NC(=O)NNC(=O)Cc1cccnc1	183274732	WUYVABYGYBROJM-UHFFFAOYSA-N	309.329	1.657	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCn2ccccc2=O)cc1	73789582	BEZXMYXEENADGV-UHFFFAOYSA-N	313.357	1.262	50	20	DDGD	
O=C(NNc1cccnn1)c1cccc(OC[C@@H]2CCCO2)c1	77034142	PCWXYZLSCWXLOI-AWEZNQCLSA-N	314.345	1.791	50	20	DDGD	
Nc1nccnc1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	125738692	FMXVMMDLLKMQRT-UHFFFAOYSA-N	308.685	1.377	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1noc2c1CCCCC2	122896444	PGKGSUGGCJVJJV-UHFFFAOYSA-N	302.334	1.357	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@H]2CCN(C3CC3)C2)n1	181422616	QPXISJVAFHXKSW-LLVKDONJSA-N	305.382	1.201	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc2cc(F)ccc2[nH]1	78885804	DEQXSHDIVDVPSF-UHFFFAOYSA-N	300.293	1.720	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc(-c2ncn[nH]2)cc1	184728116	JVHWGTDPFYCHOY-UHFFFAOYSA-N	303.322	1.641	50	20	DDGD	
CCCCn1cc(C(=O)NNc2nccc(OC)n2)c(C)n1	184377392	OSMCOVPQTIKWQD-UHFFFAOYSA-N	304.354	1.547	50	20	DDGD	
CCCC[C@@H](NC(N)=O)C(=O)NNc1nnc(C2CC2)s1	184530343	PEOYVLBUDOFLIO-MRVPVSSYSA-N	312.399	1.086	50	20	DDGD	
CC[C@H](C)[C@@H](C)C(=O)NNC(=O)Cc1cn2ccccc2n1	180344923	BQFFFIQEDARGPU-NWDGAFQWSA-N	302.378	1.706	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1c[nH]c(C)cc1=O)c1ccccc1	73552714	UNPDFPBBEBALFH-ZDUSSCGKSA-N	313.357	1.638	50	20	DDGD	
Cc1nnc(-c2cccc(C(=O)NNC(=O)C(C)(C)C)c2)o1	72967999	BATRUGBBNYEJLZ-UHFFFAOYSA-N	302.334	1.852	50	20	DDGD	
O=C(NNc1ccncc1)[C@@H]1CCCCN1C(=O)c1ccco1	183020001	GWSFGNDGPZQNLL-ZDUSSCGKSA-N	314.345	1.813	50	20	DDGD	
COc1ccnc(NNC(=O)c2c[nH]nc2-c2ccsc2)n1	187843572	YNIKQURVSAIUQI-UHFFFAOYSA-N	316.346	1.694	50	20	DDGD	
Cc1cccc(CNC(=O)NNc2ccc(-n3cccn3)nn2)c1	45679906	UZASSAFREFNXIU-UHFFFAOYSA-N	323.360	1.797	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1sccc1-c1ccccc1	190051010	AGVFELNTEPUXBU-UHFFFAOYSA-N	304.371	1.947	50	20	DDGD	
COc1ccnc(NNC(=O)Cc2sc(S)nc2C)n1	46365316	WQWVPDODMOOPFS-UHFFFAOYSA-N	311.392	1.225	50	20	DDGD	
O=C(NNC(=O)c1cccnc1Br)c1ccc[nH]1	133658162	HTCVVLLUEBIPBT-UHFFFAOYSA-N	309.123	1.247	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@H]2CCCC[C@@H]2C)n1	43047321	JWJFGWCNAVMPAJ-GWCFXTLKSA-N	307.398	1.409	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCOc1ccc(C)cc1C	45154401	LDFSVVIEGRCOGH-UHFFFAOYSA-N	307.419	1.754	50	20	DDGD	
O=C(NCCc1cccs1)NNc1nc2ccccn2n1	190491141	YIXDWGBXEYPIPX-UHFFFAOYSA-N	302.363	1.660	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNc1nc(C)cc(OC)n1	87434531	RZBGLXHTDOUKMH-UHFFFAOYSA-N	319.365	1.592	50	20	DDGD	
Cc1cc(C)c2cc(C(=O)NNC(=O)N3CCOCC3)[nH]c2c1	194899888	NWAZNTZEUGBFMD-UHFFFAOYSA-N	316.361	1.471	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@H]2CC23CCOCC3)c1	93544681	PSEVDTHCTRGBDJ-SNVBAGLBSA-N	306.753	1.866	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H](C)c1ccccc1F	94121121	IYXVLEVYGSTQTL-VIFPVBQESA-N	315.439	1.788	50	20	DDGD	
C[C@@H]1CCC[C@@H](C(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1	247092454	UPZDXRGGPMGOJS-LALPHHSUSA-N	318.373	1.800	50	20	DDGD	
C[C@@H](CCOc1ccccc1)C(=O)NNC(=O)c1ccc[nH]1	266695591	OHZHSJYQSUSYRL-LBPRGKRZSA-N	301.346	1.881	50	20	DDGD	
O=C(NCCOc1ccccc1Cl)NNC(=O)C1CCC1	269804060	LVJXNOIGGBQCOJ-UHFFFAOYSA-N	311.769	1.849	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)COc1ccc(C)cc1)C1CC1	269722785	SKFMVOATYRGNAG-CQSZACIVSA-N	321.377	1.129	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)n1	268061487	TXZCDSYJHWRXGU-WCQYABFASA-N	323.397	1.563	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)o1	267868191	UBVMGLVJAMOTPJ-VIFPVBQESA-N	311.338	1.262	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1CN(c2ccc(F)cc2)C1=O	368655732	ONGKCCODELBUQX-WTNCMQEWSA-N	303.293	1.101	50	20	DDGD	
CSSCCNC(=O)N[C@H]1CCN(c2cnn(C)c2)C1	367061766	IHIQCNTYHFIPML-JTQLQIEISA-N	315.468	1.309	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(NC(C)=O)ccc1C	274390944	IIMLDMBOWFRSBR-UHFFFAOYSA-N	307.354	1.651	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CC[C@H]([C@H]3CCOC3)C2)n1	366874611	VPUMEAUXJIROGQ-STQMWFEESA-N	318.377	1.103	50	20	DDGD	
C[C@H](NS(=O)(=O)c1ccc(CCCCl)cc1)C(=O)O	270431712	IDZXDXRDSYNHFL-VIFPVBQESA-N	305.783	1.609	50	20	DDGD	
Cc1ncccc1NC(=O)C(=O)NNC(=O)CC1CCCC1	274069953	NUPYOTFWVFNFDR-UHFFFAOYSA-N	304.350	1.056	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@]2(C)CCCOC2)c1	272658074	HFHJQVRKWGUVFM-MRXNPFEDSA-N	321.377	1.071	50	20	DDGD	
COCC1(C(=O)NNc2ncnc3ccsc23)CCNCC1	279865347	LCIFTOXRBMMEHY-UHFFFAOYSA-N	321.406	1.151	50	20	DDGD	
C[C@H]1C[C@H](CNC(=O)NNC(=O)c2ccccc2F)CCO1	271656840	LSMFERGWEGSHFD-WDEREUQCSA-N	309.341	1.585	50	20	DDGD	
COc1ccc2c(c1)[C@H](C(=O)NNc1nccnc1OC)CC2	277570443	BDIFGEUMHBOTHJ-GFCCVEGCSA-N	314.345	1.667	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCc2ccccc2O)c(C)n1C	272317992	KJCBAYGNGMOZSR-UHFFFAOYSA-N	315.373	1.741	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc2c(c1)CC(=O)N2C	278827758	UNSRPWNLKWXREB-UHFFFAOYSA-N	304.350	1.404	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC[C@@H](COC)OC)c1ccccc1	273071670	ZROXCBLVBHPISJ-KBPBESRZSA-N	323.393	1.172	50	20	DDGD	
O=C(NNc1ccccc1Br)[C@]1(O)CCSC1	270876619	NOCNZEUMOVWKJB-NSHDSACASA-N	317.208	1.760	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)[C@H]1C[C@H]2CC[C@H]1O2	276399232	GQMVBPUIIKIJGH-WCABBAIRSA-N	317.374	1.611	50	20	DDGD	
N#CCCN(Cc1ccccn1)S(=O)(=O)CBr	271463619	ZCOVFRNFOYFHIB-UHFFFAOYSA-N	318.196	1.479	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2occ3c2CCOC3)cc1	377115695	PWLUZBRGDCIXBY-UHFFFAOYSA-N	314.341	1.990	50	20	DDGD	
CSSCCNC(=O)Nc1ccc(OCC(N)=O)cc1	284733119	VWMGUENKXSERIQ-UHFFFAOYSA-N	315.420	1.683	50	20	DDGD	
C[C@H]1COCC[C@H]1CNC(=O)NNC(=O)Cc1ccc(F)cc1	286655868	AGXUWPUEVSCAIO-AAEUAGOBSA-N	323.368	1.371	50	20	DDGD	
O=C(NCC1CC(c2ccccc2)C1)NNC(=O)[C@@H]1CCCO1	292607916	KZWYZRFJIMTFCV-ZALBZXLWSA-N	317.389	1.690	50	20	DDGD	
O=C(NCCc1cn2ccccc2n1)NNc1cccc(F)n1	804900467	UWWXZVPHPKGBCM-UHFFFAOYSA-N	314.324	1.737	50	20	DDGD	
CC(C)(O)CCNC(=O)NNC(=O)Nc1cc(F)cc(F)c1	297013635	VQTHJGBLMXLWRJ-UHFFFAOYSA-N	316.308	1.462	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N[C@@H](C2CC2)C(F)(F)F)n[nH]1	808866358	VTCABRLEBWTUND-QMMMGPOBSA-N	305.260	1.003	50	20	DDGD	
CC(=O)c1cccc(OCC(=O)NNC(=O)OC(C)(C)C)c1	298314540	UIXWGHBBCYHOME-UHFFFAOYSA-N	308.334	1.824	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)[C@H](C)OC[C@H]2CCCO2)c1	293919565	LRKLVJNAFOXTQE-XHDPSFHLSA-N	321.377	1.672	50	20	DDGD	
CCC[C@H](CNC(=O)NNC(=O)COc1ccc(C)cc1)OC	297689549	QKALMQPOAURTDO-CQSZACIVSA-N	323.393	1.519	50	20	DDGD	
CN1CCC[C@H]1C(=O)NNC(=O)c1cc2c(s1)CCCCC2	299547109	PZBCBLDSVVVVIR-LBPRGKRZSA-N	321.446	1.872	50	20	DDGD	
C[C@@H](CCc1ccccc1)NC(=O)NNC(=O)[C@@H]1CCCCO1	296338886	YRFYSJRVXGFGRS-ZFWWWQNUSA-N	319.405	1.907	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NNc2ncccc2F)cc1	806164387	RKRWIEHQWBUXCS-UHFFFAOYSA-N	303.297	1.729	50	20	DDGD	
COCCOCCCCNC(=O)NNc1ncccc1F	805032836	YYMYWVKQCOCYGF-UHFFFAOYSA-N	300.334	1.290	50	20	DDGD	
O=C(NNC(=O)N1CC[C@@H](O)C12CCCC2)c1ccccc1	292536605	QHCNZHLJGQIXEI-CYBMUJFWSA-N	303.362	1.420	50	20	DDGD	
CC(C)NC(=O)NNC(=O)C(C)(C)c1ccc2c(c1)OCO2	292872542	XHMRHTACRCSAJY-UHFFFAOYSA-N	307.350	1.432	50	20	DDGD	
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NNc1ncc(F)cc1F	298206711	FZKDWIBIXYUDJD-BXKDBHETSA-N	312.320	1.967	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cccc(Cl)c2F)O1	294064468	BFXILYMLWPMUCS-XVKPBYJWSA-N	300.717	1.808	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(-c2cnn(C)c2)s1	800811554	ZBDRUKBUMCDYNM-UHFFFAOYSA-N	321.406	1.818	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2c(F)cc(F)cc2F)O1	292695616	KNZLJLZRWQTLTP-WKEGUHRASA-N	317.267	1.824	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCCCO2)cc1C	296866178	ZEZCUZRFGITOMZ-CYBMUJFWSA-N	312.391	1.182	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(C1CCCC1)[C@H](C)CO	805751327	HHTVEAZQVQTRMN-CHWSQXEVSA-N	313.442	1.194	50	20	DDGD	
O=C1C[C@H](C(=O)NNC(=O)Nc2ccc(Cl)cc2)CCN1	802022374	MHIRXBQNLZHMNZ-MRVPVSSYSA-N	310.741	1.019	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)CCOCc2ccccc2)O1	294068785	BPWCSINIFZDXMQ-JSGCOSHPSA-N	306.362	1.308	50	20	DDGD	
O=C(C[C@H](O)c1ccc(Cl)cc1)NNc1ncncc1F	817078646	NRZBOCHNRDFFBJ-NSHDSACASA-N	310.716	1.836	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NN=Cc3cnn(C)n3)cc2C1	814759672	KPFJCJTYBHGEQZ-SECBINFHSA-N	303.391	1.765	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCSC1)c1ccc(Cl)cc1O	810177092	JPFAEEZGTORWGZ-QMMMGPOBSA-N	314.794	1.950	50	20	DDGD	
C[C@@H]1C(=NNC(=O)CN2CCCC2=O)CC[C@@H](C(=O)O)C1(C)C	814761277	SQGWJAJSBLJQDQ-MNOVXSKESA-N	323.393	1.238	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cc(O)ccc2Cl)cc1	810268004	MOPSUWUETWHHNI-UHFFFAOYSA-N	315.716	1.992	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=C1CCC(C(=O)O)CC1	814764277	UZQCSJNPLHIHIY-PZORYLMUSA-N	309.410	1.855	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Cc2ccncc2)c(C2CCC2)n1	819886804	YROPSRUTOJGHRQ-UHFFFAOYSA-N	313.361	1.086	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)c(C)o1	814248874	AWOWDPHLAQJMTJ-UHFFFAOYSA-N	307.737	1.949	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)c2ccc(N)cc2)[C@]12CCCO2	819801157	BAHZGJGTJDJIHF-GDBMZVCRSA-N	303.362	1.713	50	20	DDGD	
COCCOc1cncc(C(=O)NNc2cccc(Cl)n2)c1	817011064	DUAORYNOYUARPY-UHFFFAOYSA-N	322.752	1.912	50	20	DDGD	
CC[C@H](Cc1ccccc1C)C(=O)NNC(=O)C(=O)NC(C)C	819027933	BXSLBTCHHMECOV-CYBMUJFWSA-N	319.405	1.236	50	20	DDGD	
CN1CCOc2ccc(NC(=O)NNc3ncncc3F)cc21	814656322	YUWNVTXYBBFIAT-UHFFFAOYSA-N	318.312	1.593	50	20	DDGD	
CC(=O)N[C@H](CC(=O)NNc1ncncc1F)c1cccs1	817082012	NERJAWWNZBDETJ-SNVBAGLBSA-N	323.353	1.388	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1ccccc1C(=O)NCCOC	819840564	BNLCWQPOGSOYOH-QXMHVHEDSA-N	317.345	1.445	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)Cc1ccccc1F)n1cccn1	819259420	JKAJOGOTNYUIKT-LLVKDONJSA-N	304.325	1.363	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C	823950031	AVUURDBNPSZCFT-JTQLQIEISA-N	315.414	1.731	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNC(=O)Cc2ccncc2)cc1	492084430	MMQYSMXUEQORHV-DAXSKMNVSA-N	311.341	1.494	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@H](c1ccccc1)N1CCCCC1=O	823960118	WCTAJEIAMZFLEL-XJKSGUPXSA-N	319.405	1.084	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccnc1OCC(F)F	494363546	KPLQTIFHGKBSIZ-UHFFFAOYSA-N	304.253	1.508	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2C[C@@H](O)C(C)(C)C2)cc(C#N)n1C	490906324	CNXXAHIGTBZTAV-KSKAUBAUSA-N	312.373	1.341	50	20	DDGD	
COc1ncc(/C=C\C(=O)NNc2ccc([N+](=O)[O-])cc2)cn1	492642387	AOMTZNMRTFXLSR-UQCOIBPSSA-N	315.289	1.550	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1C[C@@H]2CCC(=O)c3cccc1c32	828904030	LKSQHPAIYXRKPU-NSHDSACASA-N	315.373	1.370	50	20	DDGD	
C=CCCC(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1	726651754	VFOUQEYFFQVXBA-UHFFFAOYSA-N	310.737	1.610	50	20	DDGD	
CCCNC(=O)NNC(=O)C[C@@H](n1cccn1)C(F)(F)F	823950604	IQLDJCWKSSSTDM-MRVPVSSYSA-N	307.276	1.117	50	20	DDGD	
CN(C)CC(=O)NN=C1C(=O)Nc2c1cccc2C(F)(F)F	727648232	ZJFIJCCHERFTHE-UHFFFAOYSA-N	314.267	1.039	50	20	DDGD	
CCCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)OC(C)(C)C	491256556	STMBDLDSFNYKDP-NSHDSACASA-N	313.398	1.724	50	20	DDGD	
CCN1CCC(CNC(=O)NNC(=O)OC(C)(C)C)CC1	496409519	FYUYGNNPDHAHLR-UHFFFAOYSA-N	300.403	1.457	50	20	DDGD	
N#Cc1cccc(NNC(=O)Cc2cccc(-c3nn[nH]n3)c2)c1	826387129	HNEBKHISWMUERE-UHFFFAOYSA-N	319.328	1.424	50	20	DDGD	
Cc1noc2nc(C(C)C)cc(C(=O)N3CC[C@H](B(O)O)C3)c12	585069417	OGNYJAVSDSPLJM-JTQLQIEISA-N	317.154	1.344	50	20	DDGD	
C[C@]1(C(=O)N2CCC[C@H](CNC(N)=O)C2)C[C@@H]1Br	906233199	ZQEZQISSCDZYPS-PTRXPTGYSA-N	318.215	1.067	50	20	DDGD	
CC1=C(C)C(=O)N(CCC(=O)NNc2cccc(Cl)n2)C1=O	908353820	FYJSBVVDXBDIMA-UHFFFAOYSA-N	322.752	1.273	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1CC1(Cl)Cl	826446217	DJTGCXKYBICFJZ-MRVPVSSYSA-N	313.148	1.504	50	20	DDGD	
CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1cnn(C)c1C	823953625	JIGDBAITUMRCFN-UHFFFAOYSA-N	324.348	1.063	50	20	DDGD	
CN(CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1ccccc1	825891996	ARULNIABAGXYNO-UHFFFAOYSA-N	323.360	1.446	50	20	DDGD	
C[C@@]1(C(=O)NCCN2C[C@@H]3CC[C@H](C2)O3)C[C@@H]1Br	909024817	LQRMEYGMCYHLLL-SRRSOLGSSA-N	317.227	1.139	50	20	DDGD	
COC(=O)Nc1cc(NC(=O)NNC(=O)C(C)C)ccc1F	495220390	KAQQFUOKNJWRDE-UHFFFAOYSA-N	312.301	1.813	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	495435276	YWGAWPMDGOJICT-SECBINFHSA-N	319.427	1.190	50	20	DDGD	
CCC[C@@H]1C[C@H](c2nc(-c3ccc(B(O)O)cc3)no2)CCO1	585050579	DDWGKAGXAMHDIB-TZMCWYRMSA-N	316.166	1.479	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1ccc(C#N)cc1Cl	495842482	WCCSYRPAOGLYHH-UHFFFAOYSA-N	303.727	1.103	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1cccc(SC(F)F)c1	495045203	GITCNQMTIZYYDA-UHFFFAOYSA-N	319.289	1.327	50	20	DDGD	
C[C@H]1OC(=O)N[C@H]1C(=O)NNc1ccc(C(F)(F)F)cn1	496204169	DWTVTEYPLLWKPC-SVGQVSJJSA-N	304.228	1.040	50	20	DDGD	
OB(O)c1ccccc1CNC[C@@H]1CCC[C@@H](C(F)(F)F)C1	585026913	UEBMHAYLMOIPIV-DGCLKSJQSA-N	315.144	1.825	50	20	DDGD	
CCN1C[C@H](NC(=O)NNc2c(C)cc(C)cc2C)CC1=O	838675526	MVTDSBVWSWDRAB-CYBMUJFWSA-N	304.394	1.859	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNc1ccc(OC(F)F)cc1	494022356	CZQCFDCFFWMLAB-ZETCQYMHSA-N	303.265	1.476	50	20	DDGD	
CCOC(=O)NCC(=O)NNc1cccc(Br)n1	496409057	CVUGQRKHCIFMOW-UHFFFAOYSA-N	317.143	1.033	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2cc3c(s2)CCC3)CCCCO1	837310430	KZKURAHZCPMYLB-OAHLLOKOSA-N	308.403	1.957	50	20	DDGD	
CN(CC(=O)NNc1cccc(C(=O)O)c1)[C@H]1CCSC1	833692387	ODKYXQVKKIOBLF-LBPRGKRZSA-N	309.391	1.265	50	20	DDGD	
O=C(CC1OCCCO1)NNc1cccc(Br)n1	837212791	VGSDNVYYCKOHOP-UHFFFAOYSA-N	316.155	1.440	50	20	DDGD	
CCCCc1ccc(CC(=O)NNC(=O)c2ncon2)cc1	832825914	LPTFGMYVNLQKPR-UHFFFAOYSA-N	302.334	1.416	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1CC(c2cc(C)ccc2C)=NO1	908116334	YAMVLXSXURSOQK-HNNXBMFYSA-N	305.378	1.406	50	20	DDGD	
CC(C)[C@@H](c1ccccc1)N(C)C(=O)c1ccc(B(O)O)cc1	584944195	JHCZMERSLZHRMU-KRWDZBQOSA-N	311.190	1.836	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCCOc3cc(F)ccc32)o1	585032631	KIGCOULUCOZGES-ZDUSSCGKSA-N	305.114	1.102	50	20	DDGD	
CCOCCOCCN(C)C(=O)[C@@]1(C)C[C@H]1Br	907655450	ZYRKIVCLWNKQSQ-PWSUYJOCSA-N	308.216	1.671	50	20	DDGD	
CCCNC(=O)NNC(=O)CC(C)(C)NC(=O)OC(C)(C)C	739706841	VKYJZAZRBPUKSF-UHFFFAOYSA-N	316.402	1.420	50	20	DDGD	
CC(C)(CO)N1CCN(C(=O)[C@@]2(C)C[C@@H]2Br)CC1	907144855	QZHUOZFMQNREDR-GWCFXTLKSA-N	319.243	1.075	50	20	DDGD	
CS[C@@H]1CCCC(=NNC(=O)CNC(=O)c2ccco2)C1	901182801	ZGHARNUYUGZDHP-LLVKDONJSA-N	309.391	1.787	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C#CC(C)(C)C)cc1OC	837311997	XKKNUKOYDDEQRL-UHFFFAOYSA-N	304.346	1.514	50	20	DDGD	
CCCN1C[C@H](C(=O)NNc2nccnc2C(C)C)CC1=O	839742452	XQMJOBJBLNQYED-LLVKDONJSA-N	305.382	1.302	50	20	DDGD	
COc1ccc(C=NNC(=O)Cc2cc(C)[nH]n2)cc1[N+](=O)[O-]	730145402	XNUYTXVSWSDZQD-UHFFFAOYSA-N	317.305	1.328	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1cc(OC)c(OC)cc1C(=O)O	737129722	OVEZXHPEQLBEME-HJWRWDBZSA-N	320.301	1.784	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C2CCNC(=O)CC2)c1	834926522	PIQFVWCTSHBYKC-UHFFFAOYSA-N	305.334	1.090	50	20	DDGD	
Cc1noc(C)c1C(=O)NNC(=S)NCCc1cccs1	838843973	TUPBXRCJAVLCDQ-UHFFFAOYSA-N	324.431	1.705	50	20	DDGD	
CC(C)(C)c1ccc(/C=C/C(=O)NNC(=O)c2ncon2)cc1	832825978	NQKMQMKQDXRCML-RMKNXTFCSA-N	314.345	1.842	50	20	DDGD	
C[C@@H]1C[C@H]1c1ccc(CNC(=O)NNC(=O)[C@@H]2CCCCO2)o1	836227103	INCBMKKWEVZICO-QKCSRTOESA-N	321.377	1.803	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1ccccc1OC(F)(F)F	833384414	IYFPRQUAUXGCFE-UHFFFAOYSA-N	319.239	1.693	50	20	DDGD	
C[C@H](NC(=O)NNc1ncc(F)cc1F)[C@@H]1CCCOC1	838549515	ZZZQIFIMKUMQTR-DTWKUNHWSA-N	300.309	1.801	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@]1(C)CCCCO1	837318331	ZHKQRDJBEKNKQF-MRXNPFEDSA-N	316.361	1.363	50	20	DDGD	
Cc1ccc(N2CCCC2)c(C(=O)NNC(=O)NCC2CC2)c1	735038126	GJHHBKYDNOAJMA-UHFFFAOYSA-N	316.405	1.949	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCOCC(F)(F)F	916328256	GYKVIFZOOZAHJP-UHFFFAOYSA-N	319.283	1.518	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=Cc1cnc2cnccn12	747636506	LJGRXCOAMYSYGT-UHFFFAOYSA-N	319.328	1.070	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CCCCc2ccccc2)n[nH]1	911420343	UMJNOCVTQLSKTQ-UHFFFAOYSA-N	314.389	1.821	50	20	DDGD	
COC(=O)[C@H](NNC(=O)[C@H]1CCO[C@H]1C)c1ccccc1F	843289584	VGXYZBYCAMQJHU-OUJBWJOFSA-N	310.325	1.086	50	20	DDGD	
CCOCCOCCCC(=O)NNC(=O)Nc1ccccc1C	847116504	OPENKUJNSINUNV-UHFFFAOYSA-N	323.393	1.981	50	20	DDGD	
COc1c(C)cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1C	843663187	VZCYLZFRYPWMRM-DGCLKSJQSA-N	306.362	1.498	50	20	DDGD	
CSc1ccc(O[C@@H](C)C(=O)NNC(=O)NCC2CC2)cc1	740817909	CTNJJYLSJXKQKC-JTQLQIEISA-N	323.418	1.916	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2CCc3cnc(C)n3C2)n1	845697900	NDIKIHOUJQXOAV-LLVKDONJSA-N	316.365	1.004	50	20	DDGD	
COc1ccc2[nH]cc(CC(=O)NNC(=O)CC(C)C)c2c1	915287868	CIBWFZKCGYHCAA-UHFFFAOYSA-N	303.362	1.913	50	20	DDGD	
O=C(COc1ccccc1)NNC(=O)c1ccc(Cl)cc1O	918357578	JBDQBFPANSWIHA-UHFFFAOYSA-N	320.732	1.886	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C=NNC(=O)c2ncccn2)c1C	841663679	YDPWUXFEJMYEGL-UHFFFAOYSA-N	315.333	1.362	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NC[C@@H]2CNCCCO2)c(C)c1	842009914	GEBJGBIARNAPED-AWEZNQCLSA-N	306.410	1.616	50	20	DDGD	
COc1ccc(F)cc1S(=O)(=O)NNC(=O)CC(C)(C)C	842580576	HDYMTTFEMNBSKJ-UHFFFAOYSA-N	318.370	1.580	50	20	DDGD	
O=C(O)CCCNC(=O)NNC(=O)Nc1ccc(Cl)cc1	840992536	AMTAJHAJNUIYGB-UHFFFAOYSA-N	314.729	1.541	50	20	DDGD	
CCc1nc(C)c(C(=O)NNc2ncnc3[nH]cnc23)s1	743473264	MPMUHBOHXZBQHZ-UHFFFAOYSA-N	303.351	1.437	50	20	DDGD	
CSCc1nc2ccccc2n1CC(=O)NN(C)C[C@@H](C)O	910180465	VQRBJNWAXIBMRY-LLVKDONJSA-N	322.434	1.243	50	20	DDGD	
COC[C@@](C)(O)C(=O)NNc1ccc(Br)c(C)c1	748610846	STBURVHGPFFMLF-GFCCVEGCSA-N	317.183	1.598	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2	747672572	NRFAYLZQPIHPJY-RWMBFGLXSA-N	304.419	1.308	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccc(/C=C/C(=O)OC)o1	848639591	WKJUTUVDARGACW-BTHQEHEQSA-N	305.286	1.562	50	20	DDGD	
Cc1c(NNC(=O)N[C@H]2CCN[C@@H](C)C2)cccc1[N+](=O)[O-]	841986268	MFMAQOAOZBYUFB-ONGXEEELSA-N	307.354	1.670	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)c1cc2c(cc1O)OCO2	743818500	AKNZXXVQOHSZKW-UHFFFAOYSA-N	307.693	1.926	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCC[C@@H](C)[C@H]2C)cc1	741790119	CMRMNSLHLFBXFE-ZIAGYGMSSA-N	303.406	1.876	50	20	DDGD	
O=C(NN=C1CCCS(=O)(=O)C1)c1ccc(Cl)cc1F	747647115	ZNPZAZHLADASSP-UHFFFAOYSA-N	318.757	1.774	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccc(SC(F)F)cc1	840999051	NIRLSWSHFAUTBM-UHFFFAOYSA-N	318.349	1.893	50	20	DDGD	
CCOc1ccc(NNC(=O)c2ccn(CCN(C)C)n2)cc1	848142533	OJJUUIOGUNSUJG-UHFFFAOYSA-N	317.393	1.600	50	20	DDGD	
CC(C)[C@H](NC(=O)NNc1cncc(Cl)n1)c1cnn(C)c1	927411875	LHAHCFKIROHDLE-LBPRGKRZSA-N	323.788	1.887	50	20	DDGD	
CN(CCI)CC(=O)NCc1ccco1	759326748	IAQPHLVMIGOAOK-UHFFFAOYSA-N	322.146	1.263	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1nc2ccccc2s1	755352936	BJWGSOMQTZMFAK-UHFFFAOYSA-N	316.346	1.794	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H](O)c2cccnc2)cc1Cl	753303715	NVHUFYODMZDTNT-ZDUSSCGKSA-N	302.721	1.783	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cc2n(n1)CCCC2	855092447	FVDXDJMGQGVFNZ-UHFFFAOYSA-N	307.423	1.128	50	20	DDGD	
Cn1nncc1NNC(=O)[C@@H]1CCN(c2ccccc2Cl)C1	857270795	OSUSBOYIUVADIT-SNVBAGLBSA-N	320.784	1.438	50	20	DDGD	
O=C(CN1CCc2ccccc21)NNc1ncccc1[N+](=O)[O-]	759285888	RDGMQDMGEDCMJK-UHFFFAOYSA-N	313.317	1.496	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)NC[C@H](C)C2CC2)cc1	920055118	XTFXZRYBODGRAU-NSHDSACASA-N	321.377	1.451	50	20	DDGD	
C[C@]1(CNC(=O)c2ccc3nn[nH]c3n2)C[C@@H]1Br	857732841	DCXWKNXKPDPCFZ-GZMMTYOYSA-N	310.155	1.256	50	20	DDGD	
O=C(NC[C@@H]1CCCN1CC(F)(F)F)NNC(=O)C1CCC1	926521228	YJNRKJSBGZEYOZ-JTQLQIEISA-N	322.331	1.144	50	20	DDGD	
Cn1ncc2cc(C(=O)NC[C@@]3(C)C[C@@H]3Br)cnc21	857392355	AYZVMAHLEJGJBU-GXFFZTMASA-N	323.194	1.872	50	20	DDGD	
C[C@H](C#N)N(CC(=O)NNC(=O)c1ccccc1Cl)C1CC1	852480329	PHIGUWCWHHQFKC-SNVBAGLBSA-N	320.780	1.477	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1C(=O)NNc1nccnc1OC	757672927	NYIOYPWELDRFOQ-UHFFFAOYSA-N	319.277	1.159	50	20	DDGD	
O=C(NCC1C2CC3CC(C2)CC1C3)NNC(=O)c1cn[nH]c1	858332063	MMUXGMFWHKYILR-UHFFFAOYSA-N	317.393	1.426	50	20	DDGD	
CCC[C@H](Cc1ccccc1)NC(=O)NNC(=O)c1cn[nH]c1	858185039	REHWRYMZLHKIDD-CQSZACIVSA-N	315.377	1.765	50	20	DDGD	
Cc1nn(C(C)C)cc1C(=O)NNC(=O)OCC(F)(F)F	856025818	ARMPLEAEAJOCNY-UHFFFAOYSA-N	308.260	1.706	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H]2CCc3nnc(C)n3C2)c1	750785376	AHKUCPGNCZFUKP-SNVBAGLBSA-N	319.340	1.440	50	20	DDGD	
CN(C(=O)/C(C#N)=C\c1cnn(C)c1)[C@@H](CO)Cc1ccccc1	855136142	MAMFMSVOKXZICO-QOTSWMAJSA-N	324.384	1.389	50	20	DDGD	
C[C@H]1COC[C@H]1NC(=O)NNC(=O)c1cc2c(s1)CCC2	925990115	FXCDHQJDPAQBRK-WCBMZHEXSA-N	309.391	1.216	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@@H](CO)c1cccc(F)c1	753339148	HMKFUEIESVLUQW-ZDUSSCGKSA-N	309.341	1.380	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)Cc1ccccc1C)C1CC1	852554825	DFRYUPVEVJJXAQ-OAHLLOKOSA-N	303.406	1.463	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NNc2ccc(Cl)nn2)C1	857860199	SBWHLKFMTLLTSF-CBAPKCEASA-N	306.757	1.662	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1	854185910	PDLPJTDNCDLABF-QWHCGFSZSA-N	305.403	1.480	50	20	DDGD	
O=C(COC(F)(F)F)NNC(=O)NCCc1cccs1	930734167	GZCICECJWTUUSM-UHFFFAOYSA-N	311.285	1.157	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1ccc([N+](=O)[O-])cc1F	855620985	IUQCCZZHBPQUGP-UHFFFAOYSA-N	314.273	1.313	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H](C)Cc2ccccc2F)n[nH]1	869015033	ZZGNYLMDIIVRJV-SNVBAGLBSA-N	318.352	1.426	50	20	DDGD	
CC(C)[C@H]1CCCCC1=NNC(=O)[C@@H]1CCS(=O)(=O)C1	764675970	MUEXIJMEFNFLBI-VXGBXAGGSA-N	300.424	1.740	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)C[C@@]1(C)CC1(Cl)Cl	867255596	MRVMAQPSGNHEQA-SSDOTTSWSA-N	305.183	1.103	50	20	DDGD	
CCCc1ccc(C(=O)NNC(=O)Cc2cc(C)[nH]n2)s1	869010552	CVNLITRPKDUEHT-UHFFFAOYSA-N	306.391	1.736	50	20	DDGD	
COc1nccnc1NNC(=O)c1cccc(C2OCCO2)c1	764482600	YDRPVWUYYZLXAB-UHFFFAOYSA-N	316.317	1.288	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)CNc1ccc(C)cc1)C1CC1	863853476	IBFQISUKKCNBPZ-OAHLLOKOSA-N	305.378	1.369	50	20	DDGD	
C=CCOc1cc(OC)ccc1C(=O)NNC(=O)NC(C)C	767883852	QTGVAAXNMJYWNS-UHFFFAOYSA-N	307.350	1.612	50	20	DDGD	
CCCNC(=O)NNC(=O)c1csc(-c2ncccc2F)n1	768945718	UTBWLXAGVMAXAE-UHFFFAOYSA-N	323.353	1.698	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)NC2CCCC2)c1[N+](=O)[O-]	767754287	LKZCOIARNPLWOT-UHFFFAOYSA-N	322.321	1.490	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)CCc2ccccc2O)[C@H]1C	863865860	CMLQUUFRYZQVAH-OVZMXSCWSA-N	320.389	1.532	50	20	DDGD	
CNc1c(C(=O)NNc2nccc(OC)n2)cccc1[N+](=O)[O-]	765365326	QPTHVFYHHBMBTK-UHFFFAOYSA-N	318.293	1.192	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C/C=C/c1ccccc1	763193518	PHOQKGHUQXJUFO-MGHOFMKRSA-N	308.341	1.627	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cnc2[nH]cnc2c1)c1ccccc1	764218029	UAHOISGOVCTTMG-CYBMUJFWSA-N	323.356	1.913	50	20	DDGD	
CCc1ccc(-c2cc(C(=O)NNC(=O)c3cnc[nH]3)n[nH]2)cc1	768267659	AHGGEUWGMPOPQX-UHFFFAOYSA-N	324.344	1.437	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1ccnc(Cl)c1F	766825346	VBKUSWOOLKFHPW-UHFFFAOYSA-N	312.688	1.611	50	20	DDGD	
C[C@@H](O)c1cn(CC(=O)NNc2cccc(F)c2Cl)nn1	862507782	BCCQJIYSNYUXPK-SSDOTTSWSA-N	313.720	1.267	50	20	DDGD	
C[C@H](NNC(=O)c1ccc2c(c1)CCC(=O)N2C)C(F)(F)F	862314698	HIAOBOLFJVOHIM-QMMMGPOBSA-N	315.295	1.781	50	20	DDGD	
CSCCNC(=S)NNC(=O)CC1CCSCC1	769769236	RBKBEMYCJRVXAM-UHFFFAOYSA-N	307.510	1.378	50	20	DDGD	
CCC(C)(CC)C(=O)OCC(=O)NNC(=O)c1ccccc1	767608174	GCGIDWKKSPVKQN-UHFFFAOYSA-N	306.362	1.817	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNC(=O)c2ccc(C#N)cc2)n1	865054120	RBZMULNXIDHGOH-LLVKDONJSA-N	311.345	1.161	50	20	DDGD	
Cc1cc(=NNC(=O)CC2CCC3(CC2)OCCO3)cc[nH]1	862512281	OYWOULVHVBYNDY-UHFFFAOYSA-N	305.378	1.578	50	20	DDGD	
C[C@H](CC(=O)NNc1ccnc(N(C)C)n1)c1ccncc1	769122930	MWJNDAVWPVXHPI-LLVKDONJSA-N	300.366	1.575	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H](C)Oc1cccc2ccccc12	767723576	PWLQUKBKMWZFGS-NSHDSACASA-N	301.346	1.957	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=S)Nc2ccccn2)o1	1119112439	XPVBBXYBJKOIOV-UHFFFAOYSA-N	320.330	1.093	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C(C2CC2)C2CC2)cn1	874953371	AGPAEKLCUZBKTH-UHFFFAOYSA-N	320.418	1.844	50	20	DDGD	
CS(=O)(=O)c1cc(C(=O)NNC(=O)C2CCCC2)cs1	766349996	CBAYDSGBJWCLFV-UHFFFAOYSA-N	316.404	1.103	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](C)[C@@H]1OCCc2sccc21	875616094	VWZCBIBURPEOBP-KWQFWETISA-N	313.379	1.663	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNC(=S)Nc2ccccn2)cn1	874957029	YALIAGSABMJXCN-UHFFFAOYSA-N	318.406	1.665	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(OC)n(C)n2)c([N+](=O)[O-])c1	773390075	IPRDMIMHRJTOQM-UHFFFAOYSA-N	321.293	1.102	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1	878000322	UYFOALGFTWBXQD-QWRGUYRKSA-N	307.350	1.301	50	20	DDGD	
CCCC(=O)Nc1cccc(CNC(=O)NN(C)C(=O)OC)c1	875084244	YLQLAHLXUBXGMR-UHFFFAOYSA-N	322.365	1.838	50	20	DDGD	
O=C1CCCCC[C@H](C(=O)NNC(=S)Nc2ccccn2)C1	874956496	ZTBUVQJJSAQOJZ-NSHDSACASA-N	320.418	1.939	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CCc2ncc[nH]2)c1	873757292	USZDBSVHYJYPOF-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(C[C@H](C)C(=O)OC)cc1	879195546	OWXPTKNGESNYHY-LBPRGKRZSA-N	323.393	1.653	50	20	DDGD	
CN(NC(=O)c1cc2c(s1)-c1ccccc1OC2)C(N)=O	778414425	BOVUCGFAIIGMLY-UHFFFAOYSA-N	303.343	1.963	50	20	DDGD	
CC[C@@H]1CC(=NNC(=O)CCNC(=O)OC(C)(C)C)CCO1	779806282	LDIVUYSSLFQTTK-GFCCVEGCSA-N	313.398	1.962	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H](NC(C)=O)C(C)C	777772438	XPHHPNDCUOHAAF-ZDUSSCGKSA-N	307.350	1.077	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@H](C)CC(C)(C)C	772032929	PBYCWNVQJALQBM-WDEREUQCSA-N	300.399	1.938	50	20	DDGD	
O=C(C[C@@H]1COC(=O)C1)NNc1ccc(C(F)(F)F)cn1	775248227	SOWSHTZKTFPMAE-ZETCQYMHSA-N	303.240	1.497	50	20	DDGD	
O=C(NNC(=O)[C@H]1CSc2ccccc21)C1CCOCC1	883064010	LGVKXGOWMLATHU-LBPRGKRZSA-N	306.387	1.450	50	20	DDGD	
COc1cccc([C@H](C)N[C@H](C)C(=O)NNC(=O)CC(C)C)c1	774856002	OKVFNZWKPZLEFB-QWHCGFSZSA-N	321.421	1.928	50	20	DDGD	
COc1cccc([C@H](C)CC(=O)NNC(=O)c2cccnn2)c1	882058382	OQXMQSAJRHVOSW-LLVKDONJSA-N	314.345	1.440	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H]1CCOC2(CCOCC2)C1	882001723	SYYCCYOWXPOURY-LLVKDONJSA-N	311.831	1.263	50	20	DDGD	
CC#CCNCc1cn(/C(Cl)=C/CBr)nn1	881310245	FVJHSFFCZREYDJ-ONNFQVAWSA-N	303.591	1.823	50	20	DDGD	
N#C[C@@]1(F)CCN(CC(=O)NNC(=O)c2cccc(Cl)c2)C1	786437229	PPETVEZOMAISIC-AWEZNQCLSA-N	324.743	1.039	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cc2c(cc1F)CCC(=O)N2	782553243	MTIDPDQJOYCWOE-UHFFFAOYSA-N	308.313	1.519	50	20	DDGD	
COC[C@@H](NC(=O)NNc1cccc(C(=O)OC)c1)C(C)C	780835037	GVTNMUIEKGQYPA-CYBMUJFWSA-N	309.366	1.770	50	20	DDGD	
CSCC1CCN(C(=O)NNC(=O)c2cccc(C)n2)CC1	1122002867	LLEMVRKMFLQUIQ-UHFFFAOYSA-N	322.434	1.819	50	20	DDGD	
O=C(NC[C@@H]1C[C@@H]2CC[C@H](C1)N2)NNC(=O)c1ccccc1F	892593247	SQERJQMJFOLNGS-ZSBIGDGJSA-N	320.368	1.300	50	20	DDGD	
O=C(NNC(=O)[C@@]1(O)CCc2ccccc2C1)C1CCCC1	785838834	DEYDTSLNBMOFIE-QGZVFWFLSA-N	302.374	1.244	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H]1CO[C@H](C)C1	784142663	KNDXFGVCGLRDPZ-DGCLKSJQSA-N	306.362	1.200	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H](O)C2CCCCC2)nc1	783689281	DQOUXCQBPRIWCS-ZDUSSCGKSA-N	307.350	1.253	50	20	DDGD	
CN1CCC[C@H]1c1cc(C(=O)NNc2cccc(Cl)n2)n[nH]1	897828984	CVPRFFJXEDEKMC-NSHDSACASA-N	320.784	1.982	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@]1(OC)CCSC1	897308346	CRIJICSDCRKXDJ-AWEZNQCLSA-N	310.375	1.438	50	20	DDGD	
CC[C@H](C)CC[C@H](O)CC(=O)NNc1nc(C)cc(OC)n1	793598515	KKYYILAFHYFFFH-JQWIXIFHSA-N	310.398	1.814	50	20	DDGD	
CC[C@@H]1CC[C@H](C)CC1=NNC(=O)Cc1cc(O)nc(O)n1	797401799	PGBUCOVYWMXISY-VHSXEESVSA-N	306.366	1.749	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc2c(c1)OCC(=O)N2C	799245427	ZNHJWVOIFYMRPW-UHFFFAOYSA-N	320.349	1.241	50	20	DDGD	
CCCNC(=O)NNC(=O)CCOCC(F)(F)C(F)(F)F	790512212	DGJIDMFTKJKCAQ-UHFFFAOYSA-N	321.246	1.331	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2[nH]ccc2C)cc1OC	797789516	RUWFXAAEJFXUAH-UHFFFAOYSA-N	303.318	1.415	50	20	DDGD	
O=C(CCOCC(F)(F)C(F)F)NNC(=O)C1CCC1	790621766	BMIWIFMBGUTSIA-UHFFFAOYSA-N	300.252	1.241	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1ccc(N)c([N+](=O)[O-])c1	799110452	VKLVEDIZQJPXNG-UHFFFAOYSA-N	309.326	1.237	50	20	DDGD	
C=C(CBr)COC(=O)Cn1ccc([N+](=O)[O-])n1	795451176	HUJMJNQAZDPJJB-UHFFFAOYSA-N	304.100	1.286	50	20	DDGD	
O=C(NCC1CC1)NNC(=S)Nc1cccc(F)c1F	1319546464	FCKWPDJIYXFMRH-UHFFFAOYSA-N	300.334	1.875	50	20	DDGD	
CC(C)c1ccc2c(c1)C(=NNC(=O)C[n+]1ccccc1)C(=O)N2	1317671815	NONFSQFXFZOMNJ-UHFFFAOYSA-O	323.376	1.570	50	20	DDGD	
Cc1conc1NC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	1320260495	WSJQHIGUPOALBC-SECBINFHSA-N	322.296	1.742	50	20	DDGD	
O=C(NNC(=O)c1c[nH]nc1-c1cccnc1)NC1CCCC1	1320056704	GWOISIHRXBGKRQ-UHFFFAOYSA-N	314.349	1.358	50	20	DDGD	
O=C(c1cc(Br)ccc1F)N1CC[C@@H](B(O)O)C1	585073587	CSHIFQDRMXQGPY-SSDOTTSWSA-N	315.935	1.277	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1cc(Br)ccc1F	1323944268	VBQGZDUKPIVEFM-UHFFFAOYSA-N	317.114	1.601	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2nc(C)c(C)s2)nc(C)n1	1320962185	CQBWXISUYUQVLC-UHFFFAOYSA-N	320.378	1.249	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1ccc(Br)o1	1320857617	QDDGXCVUOJIXOT-UHFFFAOYSA-N	304.144	1.529	50	20	DDGD	
COCCOCc1nnc(-c2c(C)nn(CCCl)c2C)o1	1329298960	JWWRIOOXMIMGRA-UHFFFAOYSA-N	314.773	1.952	50	20	DDGD	
CC(C)(C=NNC(=O)NCCc1cccs1)S(C)(=O)=O	1320194197	YSSKXQFZZDDKNI-UHFFFAOYSA-N	317.436	1.399	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)c1cnc(C2CC2)[nH]1	1255303675	PRLGMRYOEAXXPS-UHFFFAOYSA-N	324.344	1.098	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)c2ccnnc2C)c1	1336040101	BLGGVWSQYOFZRV-UHFFFAOYSA-N	319.365	1.864	50	20	DDGD	
C[C@H]1C(=O)Nc2ccc(-c3csc(NNC(N)=O)n3)cc21	1339957805	CSTHVMDSVFCMAQ-ZCFIWIBFSA-N	303.347	1.861	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccn(CCC(F)(F)F)n1	1347203280	CGYORMZWHFMXTI-UHFFFAOYSA-N	318.299	1.787	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@@H]2CC[C@@H](C)O2)cc1	1344569162	VJGGSKVUKXBADV-MFKMUULPSA-N	307.350	1.207	50	20	DDGD	
COCc1nocc1C(=O)NNC(=O)Nc1ccccc1C	1347495912	DZTHJDVPNGQUCQ-UHFFFAOYSA-N	304.306	1.596	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H]2CCCCCN2)c1	1357740656	PLHZCSJZTDAAMQ-AWEZNQCLSA-N	320.393	1.632	50	20	DDGD	
O=C(NNc1ncccc1F)c1n[nH]cc1Br	1521428859	JUAXYZCQLJCDOS-UHFFFAOYSA-N	300.091	1.463	50	20	DDGD	
CO[C@@](C)(C(=O)O)C(=O)NNc1cccc(Cl)c1Cl	1604463237	CRJLEBBDUSUSDZ-LLVKDONJSA-N	307.133	1.926	50	20	DDGD	
Cc1cc(NNC(=O)Nc2ccc(C(=O)O)cc2F)nc(N)n1	1607695744	OVNXOHIYNXXBNF-UHFFFAOYSA-N	320.284	1.353	50	20	DDGD	
C[C@]1(COC(=O)CCN2C(=O)CCC2=O)C[C@H]1Br	1526045323	UXONLRNWENXDHE-PRHODGIISA-N	318.167	1.242	50	20	DDGD	
Cn1ccc(CCC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)n1	1608124969	SHQWGOAWOMHXNO-UHFFFAOYSA-N	319.273	1.565	50	20	DDGD	
CCn1ccc(CNC(=O)NNc2ccc(F)c(C(=O)O)c2)n1	1605927759	NULPSEARRLKECO-UHFFFAOYSA-N	321.312	1.567	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)Nc1cc(C(=O)O)nn1C	1600536108	FCOHLNBODGNRGG-UHFFFAOYSA-N	307.285	1.714	50	20	DDGD	
Cc1ccc(/C=C(/C#N)C(=O)OCC(=O)C2(C(=O)O)CC2)cc1	1607768277	OHTHVIWILPYBNO-JYRVWZFOSA-N	313.309	1.879	50	20	DDGD	
COC(=O)N(C)N=C1CCCCc2cc(-c3nn[nH]n3)ccc21	1609299971	ASNUZXXFQGFQHG-UHFFFAOYSA-N	314.349	1.995	50	20	DDGD	
O=C(Cc1cc(C2CC2)no1)NNc1ccccc1C(=O)O	1601366160	YVUIBVWRWPVKHJ-UHFFFAOYSA-N	301.302	1.936	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2ccnc(-n3cncn3)c2)c1	1602450242	QKUJESDALRAWIC-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2ncc3c(F)cccn23)c1	1602450086	IIKUTHPIVXLSRV-UHFFFAOYSA-N	314.276	1.929	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(F)c(C(=O)O)c1)[C@@H]1CCCNC1	1604290200	DPMFKCKFVVLARN-NXEZZACHSA-N	324.356	1.538	50	20	DDGD	
CN(C)N(C(=O)c1cccnc1)c1nc(CC(=O)O)cs1	1606037693	WYQLUUKPIUFYRD-UHFFFAOYSA-N	306.347	1.289	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNc1ccccc1C(=O)O	1609883842	VPDRRMXOMPSPDE-CYBMUJFWSA-N	319.361	1.619	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@H]2CCCS2)cc1C(=O)O	1600455574	SNEYHOVSLKVBQW-LLVKDONJSA-N	323.374	1.742	50	20	DDGD	
O=C(O)COc1cccc(NC(=O)NNC(=O)C2CCC2)c1	1602094495	PUZTUJHEQIASHQ-UHFFFAOYSA-N	307.306	1.103	50	20	DDGD	
Cc1[nH]c(C(=O)NNc2nc3ccccn3n2)c(C)c1C(=O)O	1607492070	LYYRWRZULRNESN-UHFFFAOYSA-N	314.305	1.129	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1cc([N+](=O)[O-])c[nH]1	1610288184	XYTDYPPGWYMLQL-UHFFFAOYSA-N	320.261	1.387	50	20	DDGD	
Cc1coc(C=NNC(=O)[C@@H]2CCCO[C@@H]2c2ccnn2C)c1	1550191888	IXQHNPZYEDZNFO-HIFRSBDPSA-N	316.361	1.940	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@@H]2C[C@@]23CCNC3)c1	1578420337	HFURCPNNTUBARE-XJKSGUPXSA-N	317.393	1.223	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@@H]2C[C@H](N)C23CCC3)cc(C#N)n1C	1579529802	MUCLTABJICIIJI-JYTDYBOUSA-N	323.400	1.498	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)CNCC(C)C)cc1	1579735441	MDEXRANEPZYADO-UHFFFAOYSA-N	309.435	1.480	50	20	DDGD	
N[C@@H](CC1CCCCC1)C(=O)NNC(=O)NCc1ccco1	1580124588	QNFAMKDTXBANEK-ZDUSSCGKSA-N	308.382	1.408	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ncc2n1CCCC2	1593168100	XLHWVEZLMFQYSZ-UHFFFAOYSA-N	324.348	1.156	50	20	DDGD	
N#C[C@@]1(C(=O)NNc2cccc(-c3nn[nH]n3)c2)C[C@H]2CC[C@H]1C2	1592666104	ALWDCYBTYHXAKS-PKWAYOAASA-N	323.360	1.640	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H]2CCCCO2)ccc1-c1nn[nH]n1	1591959168	NLUUAADFQPTNJE-CYBMUJFWSA-N	314.349	1.194	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1	1590797670	ZHBGDWTZJCLDCU-YWEFTTLKSA-N	312.333	1.488	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@H](CC(=O)O)C(C)(C)C	1591111214	GJFHLXYATPVTTF-GHMZBOCLSA-N	315.414	1.047	50	20	DDGD	
COc1cc(C(=O)O)ccc1C=NNC(=O)[C@H]1CCCCO1	1776077562	FBFMKMOCVHIXFN-GFCCVEGCSA-N	306.318	1.413	50	20	DDGD	
CCc1cc(C(=O)O)c(C=NNC(=O)c2ccc(O)nn2)s1	1776047785	JAWJMYNBWSVHKC-UHFFFAOYSA-N	320.330	1.268	50	20	DDGD	
CCCC1(CNC(=O)NNC(=O)Cn2nc(C)cc2C)CCC1	155270218	KQVTUVCPKUMNTB-UHFFFAOYSA-N	321.425	1.801	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc(SC(F)F)cc1	155371862	IMDCNUVBIVOSBN-UHFFFAOYSA-N	318.349	1.716	50	20	DDGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC(O)C2)c(C)n1CC(C)C	156534892	OATGKGIKCKTXSN-UUASQNMZSA-N	301.390	1.871	50	20	DDGD	
CC1(C)[C@@H](NC(=O)NNC(=O)c2ccccc2)[C@H]2CCO[C@@H]21	154374128	YXNGDGZMTRGJOE-AGIUHOORSA-N	303.362	1.444	50	20	DDGD	
O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNc1cccc(F)c1	154779384	MIOFZEHIGWQLQU-BETUJISGSA-N	319.336	1.444	50	20	DDGD	
O=C(CCCCc1c[nH]nn1)NNc1ccccc1[N+](=O)[O-]	159363101	IQSNTSMRHSRAJM-UHFFFAOYSA-N	304.310	1.569	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(N)=O)c(-c2ccc3c(c2)OCCCO3)n1	209247008	JCNYWRACXLRLNB-GHXNOFRVSA-N	324.340	1.641	50	20	DDGD	
O=C(O)c1cccc(CS(=O)(=O)NCC(Cl)Cl)c1	310614205	DLZJTYOHHIBIOT-UHFFFAOYSA-N	312.174	1.608	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)c2ccc(CCCl)cc2)C[C@H]1O	388056500	PJGIEJLMVZSKCJ-GXFFZTMASA-N	303.811	1.469	50	20	DDGD	
C[C@@H](CBr)CN1CC[C@H](CN2CCOCC2)C1	133823107	QXNFSZBCUSXQKL-QWHCGFSZSA-N	305.260	1.672	50	20	DDGD	
CN(CCNC(=O)NNc1ncccn1)Cc1ccccc1	54764015	HSSZQYIVJVGUJN-UHFFFAOYSA-N	300.366	1.235	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc(OCCC(C)C)c(OC)c1	53919438	NSIUYZFTIJFARX-UHFFFAOYSA-N	309.366	1.694	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2ccc(Cl)nn2)C1	175242810	NLXFIHKTLORWAE-RKDXNWHRSA-N	312.757	1.553	50	20	DDGD	
CC[C@H](C)CN(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	111254068	BAPKHVAGHPIDOD-NSHDSACASA-N	322.365	1.334	50	20	DDGD	
CCOC(=O)N[C@H](C(=O)NNC(=O)NC1CCCC1)C(C)C	65920078	RQZILGQSJYXHEW-NSHDSACASA-N	314.386	1.030	50	20	DDGD	
Cc1nc(CCCC(=O)NNC(=O)c2ccncc2)cs1	178843229	CILQXGUXFPFSCB-UHFFFAOYSA-N	304.375	1.630	50	20	DDGD	
COc1ccc2c(c1)C[C@@H](C(=O)NNc1cnccn1)CO2	114879497	BXMBVRUPVKVBIK-LLVKDONJSA-N	300.318	1.180	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)CC1(O)CCCC1	118760247	PPBSVCFGMQWYHG-UHFFFAOYSA-N	310.781	1.725	50	20	DDGD	
COC(=O)CC1(CNC(=O)NNC(=O)C2CCC2)CCCC1	1351635423	JZSKTRXDMPIHRO-UHFFFAOYSA-N	311.382	1.240	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CC[C@H]3OCCC[C@@H]3C2)c1	1351353682	SAAMUUMSAYQYJL-VXGBXAGGSA-N	323.418	1.912	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc[nH]2)C1(CC)CC	176670441	PVBMRBWOCIYQRN-QWHCGFSZSA-N	322.409	1.943	50	20	DDGD	
CN(C)C(=O)CCNC(=O)NNc1cc(F)c(F)c(F)c1	175320720	DEOFPALKCQINKM-UHFFFAOYSA-N	304.272	1.208	50	20	DDGD	
O=C(COc1ccccc1F)NNc1ncccc1[N+](=O)[O-]	120058146	RLCITLZVCFXJBM-UHFFFAOYSA-N	306.253	1.651	50	20	DDGD	
C=CCOc1cccc(NC(=O)NNC(=O)c2cnn(C)c2)c1	184590069	BSABDDBONBCSDY-UHFFFAOYSA-N	315.333	1.451	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1csc(-c2ccco2)n1	121387675	BRYYXAZZRUTPSD-UHFFFAOYSA-N	324.362	1.270	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1NC(=O)NN[C@]1(C)CCS(=O)(=O)C1	122896142	FLWZNARZGSOBCV-YRGRVCCFSA-N	317.455	1.336	50	20	DDGD	
CONC(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C	73084317	RIIDBYMXWZCKGW-OWTLUSIOSA-N	303.362	1.869	50	20	DDGD	
CCCC[C@H](COC)NC(=O)NNC(=O)Cc1cccnc1	77662119	YETITWQCCSTVGV-CYBMUJFWSA-N	308.382	1.160	50	20	DDGD	
Cc1cnc(SCC(=O)NNC(=O)c2ccc(F)cc2)nc1	42088246	WIQAVLWKIIODII-UHFFFAOYSA-N	320.349	1.477	50	20	DDGD	
CCNC(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)cc1	49152439	VGQBMQMUDSNNQI-UHFFFAOYSA-N	311.285	1.218	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)[C@H](C)C1CC1	130900622	AOGLNPXWAOCZGF-SNVBAGLBSA-N	308.403	1.981	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(-n3ccnn3)cc2)nc(C)n1	89830639	BJPFRCBDNMIBSZ-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC1(Cl)Cl)c1ccc(Cl)nc1	131605390	BASVAZVYRWFSJC-ZCFIWIBFSA-N	308.552	1.690	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C[C@@H]1CCCCO1	86990499	ZPCSCUOELHOEJI-NEPJUHHUSA-N	324.352	1.700	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc(CC#N)cc1)C1CC1	89421397	CQZXKMBNKLVLSO-JTQLQIEISA-N	302.403	1.660	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)N[C@@H](C)C2CC2)cc1OC	43843062	XVPXZVDWCJRYSN-JTQLQIEISA-N	321.377	1.836	50	20	DDGD	
CC1=C(C(=O)NNc2ccc(F)cc2)[C@@H](C)n2ncnc2N1C	192146045	NYQBBADCIDBAFF-SNVBAGLBSA-N	316.340	1.845	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)c2ccc(C3CCC3)cc2)nn1	190465312	CQOUDXXCZYOBCT-UHFFFAOYSA-N	311.345	1.600	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1Cc1ccccc1)c1ccc[nH]1	98092914	HQWCSMYPWXWQHU-HNNXBMFYSA-N	312.373	1.440	50	20	DDGD	
CS(=O)(=O)N[C@@H]1CCCN(/C(=C\C#N)c2ccc(F)cc2)C1	255154181	OYHOMCONJALWLC-QVTJDRNWSA-N	323.393	1.704	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@H]1CCN(C(=O)C2CCCC2)C1	254999680	QZUIFRGFOCPSHY-ZVHGMHCTSA-N	305.378	1.338	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCCO2)N[C@@H]1CC=CCC1	265564935	NCUSEXDEQLOTDF-GFCCVEGCSA-N	317.345	1.511	50	20	DDGD	
CN1CC[C@@H](N(C)/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C1=O	267402695	RIMIOFXGKBMQDE-YGLIYXGISA-N	300.318	1.622	50	20	DDGD	
CC(C)(C)c1nc(C(=O)NNC(=O)c2ccncc2)cs1	264007915	UJQMGLLLNGDJAC-UHFFFAOYSA-N	304.375	1.910	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCCc3cn[nH]c32)cc1	268950141	XISJSAOMSSFNIR-CYBMUJFWSA-N	324.344	1.303	50	20	DDGD	
CC(C)(C(=O)NNC(=O)COCC(F)(F)F)c1ccccc1	264674938	XSJZXCHSZZYVTJ-UHFFFAOYSA-N	318.295	1.691	50	20	DDGD	
CS(=O)(=O)CC1(CC(=O)NNc2ccc(Cl)nc2)CC1	267006514	MPSHYDPUZOOASK-UHFFFAOYSA-N	317.798	1.393	50	20	DDGD	
CC(=O)NNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1	264901299	XFKANCXHEIUYIK-ZDUSSCGKSA-N	303.406	1.497	50	20	DDGD	
Cc1c(NNC(=O)CCCCNC(N)=O)cccc1[N+](=O)[O-]	269612377	OXUSKCHWPWSIPT-UHFFFAOYSA-N	309.326	1.185	50	20	DDGD	
O=C(NNc1cccnn1)N[C@@H]1CCO[C@@]2(CCSC2)C1	366391399	TUNJFNUMSKVTDD-MFKMUULPSA-N	309.395	1.157	50	20	DDGD	
CC1(C(=O)NNC(=O)c2cccc(Br)c2)COC1	272888250	IVGHJMFKSDEHEU-UHFFFAOYSA-N	313.151	1.247	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)CCc2ccccc2O)CCO1	272119211	SQQIZRNXPRTVMA-DGCLKSJQSA-N	306.362	1.287	50	20	DDGD	
CCCOc1ccc(NC(=O)C(=O)NNC(C)=O)cc1Cl	274035893	IEMHMPAIRVCACQ-UHFFFAOYSA-N	313.741	1.235	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@H]2COCCO2)c(Cl)c1	273396908	FZMMKVQOJACXSP-LLVKDONJSA-N	313.741	1.217	50	20	DDGD	
CSc1nnc(CNC(=O)NNC(=O)OC(C)(C)C)s1	275741700	RHYUYJDPPFVQCW-UHFFFAOYSA-N	319.412	1.499	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)C(C)(C)C#N	274413292	MUUTTXSWHRUFJT-UHFFFAOYSA-N	311.363	1.092	50	20	DDGD	
N#CCc1ccccc1S(=O)(=O)NNC(=O)NC1CCCC1	279929285	LJGGREULPMXZAP-UHFFFAOYSA-N	322.390	1.188	50	20	DDGD	
CC(C)N(CC(=O)NNC(=O)c1ccccc1)Cc1ccco1	272136789	SJUYMBXHYQQGAU-UHFFFAOYSA-N	315.373	1.951	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C(C)(C)O)cc1Cl	278051843	XCZZTPCHADRDLY-UHFFFAOYSA-N	314.769	1.200	50	20	DDGD	
CCN(CC)C(=O)CCCC(=O)NNC(=O)c1cccc(C)n1	279801207	MCMOEJUVOJCWMM-UHFFFAOYSA-N	320.393	1.190	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2nccn2C1)c1ccc(Cl)cc1	363077682	WYPBDIYVCWCKFR-NSHDSACASA-N	318.764	1.560	50	20	DDGD	
N#Cc1ccc(OC(F)F)c(NC(=O)NNC(=O)C2CC2)c1	274051194	CCUOSJLJLYIRED-UHFFFAOYSA-N	310.260	1.722	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)C(C)(C)O)c1-c1ccccc1	277977831	ODLNDKRBQLKGSR-UHFFFAOYSA-N	316.361	1.102	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NC[C@@H]1CCSC1	279597501	QUUBKINDJQQXTF-NSHDSACASA-N	311.382	1.452	50	20	DDGD	
Cn1nncc1C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	374184835	VAKAZBCSQVBPQH-UHFFFAOYSA-N	319.712	1.275	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1cccc(N2CCC2=O)c1	280630012	LRXIECGDBYKDLL-UHFFFAOYSA-N	304.350	1.622	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C[C@@H]1CCCC(=O)N1	377298246	FQQOAALSIMYHKL-VIFPVBQESA-N	308.290	1.568	50	20	DDGD	
CCc1c(C(=O)NN(C)C(=O)OC)cnn1-c1ccccn1	285772461	AHMRIGXDJIYGNE-UHFFFAOYSA-N	303.322	1.173	50	20	DDGD	
COC1(CCNC(=O)NNC(=O)c2ccc(C#N)cc2)CCC1	296424128	SHLOQUPCGYKQSQ-UHFFFAOYSA-N	316.361	1.461	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CSc2ccccc21)[C@H]1CCCCO1	295297287	DVVGWMJZZAKHNI-VXGBXAGGSA-N	306.387	1.592	50	20	DDGD	
O=C(NNC(=O)C1(c2ccccc2)CCC1)[C@@H]1CCCCO1	295396172	LVYGTNAHCMHIML-AWEZNQCLSA-N	302.374	1.825	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H](O)C(C)C)cc1	291489297	SJFCJLOQHGYGIG-FZMZJTMJSA-N	324.377	1.017	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)CSc1ccccc1O	295432881	FURMQCNSYGUQEZ-LLVKDONJSA-N	312.391	1.447	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc(OC(F)F)c(F)c1	294094636	ITLZVTKVMREUPE-UHFFFAOYSA-N	302.252	1.988	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)CSC(F)F	299237739	IMFPUMDWMHBLHU-UHFFFAOYSA-N	320.317	1.177	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)CN(C)C(=O)OC)cc1C	291217560	NDAJGHCLMCNCFL-UHFFFAOYSA-N	323.349	1.313	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC1(F)F)c1cccc(Br)c1	294850966	GJYRJUZRRYRJIP-MRVPVSSYSA-N	319.105	1.865	50	20	DDGD	
CCCOc1cccc(C(=O)NNC(=O)[C@@H]2CCCCO2)c1	295338130	HSWDZWFYIVPBSV-AWEZNQCLSA-N	306.362	1.806	50	20	DDGD	
N#Cc1ccc(CNC(=O)NNc2cc(Cl)ccn2)nc1	808307202	NZHZFYOOYWGQQZ-UHFFFAOYSA-N	302.725	1.828	50	20	DDGD	
Cc1cc(=NC(=O)NNc2ccc(-n3ccnc3)nn2)c(C)c[nH]1	806380872	JARFUXOTUCSLNF-UHFFFAOYSA-N	324.348	1.245	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1ccc(N2CCCC2)nn1	808247992	ZGQXMJPOMSHUHI-UHFFFAOYSA-N	303.193	1.953	50	20	DDGD	
COC(=O)c1cccc(CC(=O)NNc2ncccc2F)c1	804219716	OMSNPBQKGFOSAG-UHFFFAOYSA-N	303.293	1.693	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1c[nH]c(-c2ccccc2)n1	294663739	OESBDFBIOSDAGD-LBPRGKRZSA-N	300.318	1.017	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ncc(OC)cn1)c1ccccc1	815551551	YGSCNPCOBUHPFF-CYBMUJFWSA-N	314.345	1.440	50	20	DDGD	
CCN([C@H](C)CO)S(=O)(=O)c1ccc(CCCl)cc1	813717254	OWXRBJDHWPVJHO-LLVKDONJSA-N	305.827	1.859	50	20	DDGD	
O=C(NN=Cc1cccc(O)c1Cl)C(=O)Nc1ccccn1	814869609	QUXUDLFYWNSHRB-UHFFFAOYSA-N	318.720	1.529	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CC[C@H](C(=O)O)C2)cc1	818240116	VVULZPLUSMPCCI-GFAPJHNFSA-N	314.341	1.925	50	20	DDGD	
Cc1nccc(CCC(=O)NNC(=O)c2cccc(C#N)c2)n1	815399230	OFXYSGLVZPXNOD-UHFFFAOYSA-N	309.329	1.051	50	20	DDGD	
Cc1csc(CC(=O)NN=C2CCCc3nc(N)sc32)n1	814779488	NWNFAJFZZOLXED-UHFFFAOYSA-N	321.431	1.890	50	20	DDGD	
C[C@H](CC(=O)NNc1ncncc1F)NC(=O)c1ccccc1	817071653	YGZXIYWSZOVDDC-SNVBAGLBSA-N	317.324	1.267	50	20	DDGD	
C[C@H]1C(=NNC(=O)c2ccc(O)c(O)c2)CC[C@@H]1CC(=O)O	814921220	WMQCOXGOHMZLSM-RKDXNWHRSA-N	306.318	1.704	50	20	DDGD	
Cn1c2c(ccc1=O)C(=NNC(=O)NC1CCCC1)CCC2	814820350	ZKAJFBYPOYLHMQ-UHFFFAOYSA-N	302.378	1.668	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)CCn1ccnc1	819716080	MMMNHDLNORYTOD-UHFFFAOYSA-N	306.297	1.342	50	20	DDGD	
Cn1nncc1NNC(=O)c1cc(Br)cs1	816769624	PPLCILGIBDAAJM-UHFFFAOYSA-N	302.157	1.396	50	20	DDGD	
CC(Cn1cccn1)=NNC(=O)c1nnc(-c2ccccc2)o1	814816681	ZYMIWSGKVPOCPX-UHFFFAOYSA-N	310.317	1.739	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)COc1ccc(C)cc1	812449754	QVTIBJZJLTVHLY-OLZOCXBDSA-N	308.378	1.440	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2ccc(O[C@H](C)C#N)cc2)n[nH]1	727684036	UGDMLOFFGRYHAL-GFCCVEGCSA-N	311.345	1.702	50	20	DDGD	
CNS(=O)(=O)c1cc(NC(=O)NN(C)C2CC2)ccc1C	824012450	AMZOJJRPWKEAMB-UHFFFAOYSA-N	312.395	1.034	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C(C)=C2CCC2)nc1C	828674759	GWAADEHCRKTHSU-UHFFFAOYSA-N	304.350	1.905	50	20	DDGD	
Cc1ccnc2[nH]c(SCC(=O)NNC(=O)C(C)C)nc12	829524808	UTDWSGUCTOCOLF-UHFFFAOYSA-N	307.379	1.162	50	20	DDGD	
CCOC(=O)N1CCN(C(=O)NCCSSC)CC1	496135579	WODXUXYZZTWJBN-UHFFFAOYSA-N	307.441	1.481	50	20	DDGD	
C[C@@H]1CCC[C@@]1(C)C(=O)NNc1nc(O)c2cnn(C)c2n1	823325648	DTGQDVGQGDFOFR-XLKFXECMSA-N	304.354	1.338	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CCN2C2CCCC2)c1	821797461	PUUBZMRCYQQJPD-HNNXBMFYSA-N	317.389	1.933	50	20	DDGD	
CC(C)(C=NNC(=O)c1ccnnc1)NC(=O)OC(C)(C)C	496968948	ORWNHDNQWKBPLF-UHFFFAOYSA-N	307.354	1.496	50	20	DDGD	
CC(C)C1(C(=O)NNc2cc(O)nc3ncccc23)COC1	829009252	UDAQYHOLUOKPLE-UHFFFAOYSA-N	302.334	1.451	50	20	DDGD	
O=C(/C=C/c1ccc2[nH]ccc2c1)NNC(=O)Cc1cc[nH]n1	492439474	KYMPJNJENSYLFB-DUXPYHPUSA-N	309.329	1.294	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)NOCC1CCC1	824098357	GUZHLWSQOATJGA-UHFFFAOYSA-N	302.334	1.886	50	20	DDGD	
COCCN1CCC[C@H](NC(=O)[C@@]2(C)C[C@@H]2Br)C1	906598067	TUYRSMPHHKGETC-GVXVVHGQSA-N	319.243	1.387	50	20	DDGD	
COc1ccc(C=NNC(=O)CNC(=O)OC(C)(C)C)c(C)c1	901214693	FEVVHJIQUYJCPO-UHFFFAOYSA-N	321.377	1.978	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cc2nccnc2cc1F	492412677	OACMCCYGGLVYFR-UHFFFAOYSA-N	306.297	1.938	50	20	DDGD	
O=C(CN1CCCC[C@@H]1Cc1ccccc1)NNC(=O)C1CC1	733194569	AALNVHTWPIMAPQ-MRXNPFEDSA-N	315.417	1.641	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2csc(-c3ccccn3)n2)cn1	735412260	TUTZDOBXSWUJIQ-UHFFFAOYSA-N	312.358	1.703	50	20	DDGD	
COC[C@H](NCc1ccc(B(O)O)o1)c1ccc(Cl)cc1	585039711	XYGPQWZKZHBHSG-ZDUSSCGKSA-N	309.558	1.090	50	20	DDGD	
Cn1nc(C(=O)O)cc1C=NNC(=O)CCCc1ccccc1	901183166	GUFRRRFUHJYWMY-UHFFFAOYSA-N	314.345	1.591	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cc2c(cc1OC)C[C@@H](C)O2	490587759	ITHAZSPLRTYYJF-DKTFCQPKSA-N	316.357	1.688	50	20	DDGD	
CCOCc1cc(C=NNC(=O)c2ncon2)ccc1OC	901286548	SURDECIAQRVVRE-UHFFFAOYSA-N	304.306	1.379	50	20	DDGD	
Cc1oc(-c2ccccc2)nc1CC(=O)N1CC[C@@H](B(O)O)C1	585069668	OTWSVUBHVGBPPD-CYBMUJFWSA-N	314.150	1.268	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)[C@@H](C)C#N)cc1OC	735837316	RZYXDYUYRBLKGP-JTQLQIEISA-N	305.334	1.405	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNc1ccc(C#N)c(Cl)c1	839726858	TXYWKMCNQJSQLC-LLVKDONJSA-N	308.769	1.802	50	20	DDGD	
COc1cc(C)cc2c1OCCC2=NNC(=O)c1cnn(C)c1	735413200	HROAVLWAVMMFGB-UHFFFAOYSA-N	314.345	1.654	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCS[C@@H](C)[C@H]2C)cc1	735674980	ZKBIGYVOJHYIQM-OLZOCXBDSA-N	321.446	1.582	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCCC(=O)C(C)(C)C	837907848	PRWQAZVIPWVLSS-SNVBAGLBSA-N	314.382	1.261	50	20	DDGD	
COCc1cc(N2CC[C@@H](B(O)O)C2)c2cc(F)ccc2n1	585079231	VNOBCEJRXFFFHC-SNVBAGLBSA-N	304.130	1.573	50	20	DDGD	
O=C(NNC(=O)Nc1cc(F)cc(F)c1)NOC1CCC1	836574243	UQWXTCGZMCZDLV-UHFFFAOYSA-N	300.265	1.785	50	20	DDGD	
COc1ccc(OCCNC(=O)NNc2ccc(C)nn2)cc1	730022187	VRWMMFHYWDBTHN-UHFFFAOYSA-N	317.349	1.499	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(-c2cccnc2)on1	833257480	WMZBUKNRIFALMP-LBPRGKRZSA-N	316.317	1.067	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1ccc(-n2ccnc2)cc1	735411137	NNQMJCDPXUKINO-UHFFFAOYSA-N	308.345	1.760	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1ccc(-c2nn[nH]n2)cc1	738137822	SDMPWDOWNKVORJ-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cc(C)n(C)n1)c1ccccc1	731997794	YBGZAOZAQSDTPA-CYBMUJFWSA-N	300.362	1.683	50	20	DDGD	
CN(C)c1nc(Cl)c(C=NNC(=O)[C@@H]2CCCCO2)s1	834989810	VTMGXYLUTTWTLQ-QMMMGPOBSA-N	316.814	1.882	50	20	DDGD	
CNC(=O)C[C@@H](C)NC(=O)NNc1ccc(Cl)c(OC)c1	838697924	QTKFWJGTEOKGTG-MRVPVSSYSA-N	314.773	1.499	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1C[C@@H](C)OC2(CCC2)C1	830733914	DYFJIFMQBWHPMC-CHWSQXEVSA-N	311.426	1.212	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@H]1CCC[C@@H](C(=O)O)C1	832977285	HHPIUFBHASWPBD-UONOGXRCSA-N	318.373	1.576	50	20	DDGD	
COc1ccc(C=NNC(=O)c2cnn(C)c2)c(Cl)c1OC	735410925	DBBKSTOOOMTPAM-UHFFFAOYSA-N	322.752	1.855	50	20	DDGD	
O=C(CN1CCC[C@@H]1C[C@H]1C[C@H]2CC[C@H]1C2)NNC(=O)C1CC1	733194699	JFLRLYVNIPWIDF-ARLBYUKCSA-N	319.449	1.835	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H](C)CN2CCOCC2)cc1F	731486894	YMOGJFPVKYYVJK-CYBMUJFWSA-N	307.369	1.553	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)c2ccc(B(O)O)cc2)C1(CC)CC	584959347	AVFQDLKIGQFJMA-CABCVRRESA-N	319.210	1.080	50	20	DDGD	
COC(=O)c1ccc(CCNC(=O)NNC(=O)CC(C)C)cc1	916248695	IRKZZPRXKCETHP-UHFFFAOYSA-N	321.377	1.392	50	20	DDGD	
CC(=O)N[C@H](CCC(C)C)C(=O)NNC(=O)c1cccc(C)n1	834812184	JSQBQNPWKSVBEF-CQSZACIVSA-N	320.393	1.092	50	20	DDGD	
CC(=NNC(=O)c1ccccc1F)c1ccc(-n2cnnn2)cc1	918708111	WCYKRQGTRBBVSV-UHFFFAOYSA-N	324.319	1.955	50	20	DDGD	
C[C@@H]1CN(C[C@@H](C)C(=O)NN=Cc2ccncc2)C[C@@H](C)O1	916371873	NBZIOSHJDPOXIV-MGPQQGTHSA-N	304.394	1.277	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)N[C@H]1CC12CCOCC2	836611978	HAGCSVRFNRVCAZ-AWEZNQCLSA-N	317.389	1.519	50	20	DDGD	
Cc1cc(C)c(NNC(=O)C(=O)Nc2ccnc(C)n2)c(C)c1	839523111	CUGPHJUBFYQDJS-UHFFFAOYSA-N	313.361	1.792	50	20	DDGD	
CC(C)CN1C[C@H](C(=O)NNc2cccc(C(=O)O)c2)CC1=O	833488306	MDCXXTHBRFWOBF-GFCCVEGCSA-N	319.361	1.332	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)c2cc([N+](=O)[O-])ccc2O)s1	748789764	YRXVPYDACCZDSC-UHFFFAOYSA-N	316.298	1.997	50	20	DDGD	
COc1ccc(OCCC(=O)NNc2nccnc2OC)cc1	840570904	DBDAVKMYPZJEMB-UHFFFAOYSA-N	318.333	1.406	50	20	DDGD	
CCC(=O)NN=Cc1c(N2CCOCC2)nc2ccccn12	741805069	KDMNVDOEMVZARN-UHFFFAOYSA-N	301.350	1.031	50	20	DDGD	
CCNCCNC(=O)NNc1ccc(F)cc1Br	841935196	RKIYMTNQCAFCBP-UHFFFAOYSA-N	319.178	1.824	50	20	DDGD	
C[C@H](CCN)NC(=O)NNC(=O)c1cc2c(s1)CCCCC2	841967838	QAPODWJGGTWHOW-SNVBAGLBSA-N	324.450	1.698	50	20	DDGD	
Cc1occc1C(=O)NCC(=O)NNc1ccc(Cl)nc1	743816347	MUJOXJNTANHLPQ-UHFFFAOYSA-N	308.725	1.510	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCCC[C@H]1CCCN1	842003675	JIHQXWWSXQAJTN-CYBMUJFWSA-N	322.384	1.231	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=C1CCOC[C@@H]1CN1CCCCC1	842562523	QQWAGDWQIUAOHY-SOUVJXGZSA-N	323.437	1.406	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCC1=CCNCC1)c1ccccc1	841972937	JYFRTWWOGXSCSP-HNNXBMFYSA-N	316.405	1.430	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1C[C@H](OCC(C)C)C1(C)C	748260042	OTUZPAVHGRVVHR-JSGCOSHPSA-N	314.426	1.981	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@H]1C[C@@]12CCCNC2	848396942	YGTKGGCJRSVJRH-YMTOWFKASA-N	303.391	1.524	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C[C@]1(OC)CCOC1	841606431	HFULMDQSJWBJLA-MRXNPFEDSA-N	322.361	1.372	50	20	DDGD	
CNC(=O)NNC(=O)c1cc2c3ccccc3n(C)c2s1	914462817	ZXPRBAGEGDMOGS-UHFFFAOYSA-N	302.359	1.967	50	20	DDGD	
CCN(CC)CCN1C(=O)C(=NNC(C)=O)c2ccccc21	744575311	LYDVMKHTHHUHKW-UHFFFAOYSA-N	302.378	1.215	50	20	DDGD	
CCCOc1cccc(CC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	843663912	ZKYYXSHUXJSCAP-IUODEOHRSA-N	320.389	1.590	50	20	DDGD	
CC[C@H](C)C[C@@H](C)NC(=O)NNC(=O)[C@@H](C)OCCOC	748636639	UMARMTLECXSQLL-QJPTWQEYSA-N	303.403	1.193	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1sc(N(C)C)nc1Cl	842558618	SHXCUQBVYLXYOD-SFYZADRCSA-N	316.814	1.738	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1	910162604	IFINGXSFKYNEMX-GUYCJALGSA-N	319.405	1.025	50	20	DDGD	
COCCNCCNC(=O)NNc1c(C)cccc1Cl	841969309	ZKDCTGHWYGIDED-UHFFFAOYSA-N	300.790	1.511	50	20	DDGD	
COc1cc(CNC(=O)NNc2cncc(Cl)n2)ccc1O	916369981	WTDAQERKDGWMQL-UHFFFAOYSA-N	323.740	1.671	50	20	DDGD	
CO[C@@H](C=NNC(=O)CCOc1ccccc1)[C@@H]1CCOC1	841622153	MJFWKRCUFNQYBS-HIFRSBDPSA-N	306.362	1.609	50	20	DDGD	
NC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)Cc1ccccc1F	841947720	HEENVGYKCZAOLW-OCCSQVGLSA-N	322.384	1.216	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccc(Cl)cc1Cl)[C@@H](C)N	842008104	VPVBXZPONHEKPH-RQJHMYQMSA-N	319.192	1.673	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(F)c(F)c1F)[C@H](C)S(C)(=O)=O	841408238	JIUGKIUAALTNDJ-RQJHMYQMSA-N	324.324	1.616	50	20	DDGD	
CC[C@](O)(CC(=O)NNc1ncc(F)cn1)c1ccccc1	840405854	WPKVRSWJGPMXTG-HNNXBMFYSA-N	304.325	1.747	50	20	DDGD	
CCCCSCC(=O)NNC(=O)Cc1cn2ccccc2n1	746545141	HOAAXVJGJXRZMI-UHFFFAOYSA-N	320.418	1.558	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(-c2ccccc2)c(C)nc1O	749924360	RTVWBANZQKJWFK-UHFFFAOYSA-N	314.345	1.727	50	20	DDGD	
CC[C@@H](C#N)C(=O)NNC(=O)CSc1ccccc1OC	845903650	QYZASWGRDRTPSR-JTQLQIEISA-N	307.375	1.484	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)Cn2cnc3ccccc32)o1	746094461	XNWMSDUMNMHUGM-UHFFFAOYSA-N	313.317	1.102	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1cccc(Br)c1	847599964	XUZJZVAXIUXISD-NXEZZACHSA-N	312.167	1.404	50	20	DDGD	
Cc1nnc(NNC(=O)CCCc2ccc(F)cc2)nc1O	848367300	GNPPCSHCSBBSQJ-UHFFFAOYSA-N	305.313	1.491	50	20	DDGD	
NC[C@@H](NC(=O)NNC(=O)c1cc2ccccc2o1)C1CC1	841948289	UOMJSKQNQNJJAZ-LLVKDONJSA-N	302.334	1.114	50	20	DDGD	
COc1ccnc(NNC(=O)c2scc3c2OCCO3)n1	847331619	GYDHEHWEKTUXQM-UHFFFAOYSA-N	308.319	1.075	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1ccc(-n2cncn2)cc1	842553164	DQTBUSDKYIRQHJ-SWLSCSKDSA-N	313.361	1.533	50	20	DDGD	
COCC1(CC(=O)NNc2nc(-c3cccnc3)no2)CC1	843794205	OCAMATKKNREPEJ-UHFFFAOYSA-N	303.322	1.391	50	20	DDGD	
CSSCCNC(=O)C1(n2cnnn2)CCCCC1	844519115	DNGGTPJGMHXWGQ-UHFFFAOYSA-N	301.441	1.460	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C[C@@H]1CCCO1)C(=O)OCC	924877504	QZMDOGGYXDTEKZ-LZBRBDLSSA-N	310.350	1.047	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNC(=O)CC(F)(F)F)cc1	755317497	OIEIRVKSVLVACV-UHFFFAOYSA-N	303.240	1.994	50	20	DDGD	
Cn1cc(C(=O)OC[C@H](CBr)C2CC2)ccc1=O	859505161	LIJGFDBPWAFTCN-NSHDSACASA-N	314.179	1.963	50	20	DDGD	
C[C@H](CO[C@H]1CCOC1)NC(=O)NNc1cc(F)ccc1F	921387249	DUKKCEZMBNIFOS-KOLCDFICSA-N	315.320	1.785	50	20	DDGD	
CN(CC(C)(CO)CO)/C(=C\C#N)c1ccc([N+](=O)[O-])cc1	759165103	XEPVVCQDOKUQOV-AUWJEWJLSA-N	305.334	1.382	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c(F)c1	853390697	IVNOLDNMORWTNF-DOMZBBRYSA-N	321.352	1.148	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2C[C@H](C)Cc3c[nH]nc32)nc(C)n1	857857027	GUAGNSQMIUHVAQ-PRHODGIISA-N	300.366	1.626	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1ccc(Cl)nn1)C1CCCC1	852654450	JIJNHMDWDIYFPF-JTQLQIEISA-N	313.789	1.961	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc21)OCC(F)(F)F	856023422	IRFBTKMKDJPZRA-MRVPVSSYSA-N	304.224	1.482	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@@H]1CCCc2cccnc21	927371034	FHVSBPVIIUSNPS-SECBINFHSA-N	316.283	1.742	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2ccc(C#N)c(Cl)c2)on1	753303817	QGBKWWVKHBKKAP-UHFFFAOYSA-N	320.692	1.743	50	20	DDGD	
C[C@H](C(=O)NC(N)=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	852522250	HOFCANKNBJSIHX-MNOVXSKESA-N	315.490	1.666	50	20	DDGD	
CC1(Cn2cc(C(=O)NNc3ccnc(Cl)c3)nn2)COC1	855465125	HPKJASSZNVFCQL-UHFFFAOYSA-N	322.756	1.120	50	20	DDGD	
C[C@@]1(CNC(=O)N2C[C@@H]3CNC[C@@H]3C2)C[C@H]1Br	857104732	AFMADURCQYSTJK-KLBPJQLPSA-N	302.216	1.021	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)Nc1cccnn1	757662405	ZOCMLKLEZCAKCX-UHFFFAOYSA-N	305.725	1.525	50	20	DDGD	
Cc1cc(=NNC(=O)NCCc2nc3c(s2)CCC3)cc[nH]1	926592036	RACYPJIUGJCKKK-UHFFFAOYSA-N	317.418	1.626	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2ccnc3cc(Cl)ccc23)CCN1	754449963	FZRLJSWAOBPOOC-VIFPVBQESA-N	318.764	1.858	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC(F)(F)F)cc([N+](=O)[O-])c1	920863677	ZEZDSOGSVUJWSO-UHFFFAOYSA-N	305.212	1.617	50	20	DDGD	
Cc1cc(C)cc(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1	921259768	IOQBJSUSPNZGPD-CYBMUJFWSA-N	309.391	1.124	50	20	DDGD	
CCOc1cncc(C=NNC(=O)Cc2csc(C)n2)c1	857206095	XQLGVYLXHQGSKO-UHFFFAOYSA-N	304.375	1.938	50	20	DDGD	
CO[C@H]1C[C@@H](NC(=O)NNC(=O)c2cc(C)cs2)C12CCC2	858706860	BZPXOXAUQHVDHK-NEPJUHHUSA-N	323.418	1.958	50	20	DDGD	
Cc1cccc([N+](=O)[O-])c1C(=O)NNC(=S)N[C@@H](C)C1CC1	855099486	HCMFDLUVVIKIDQ-VIFPVBQESA-N	322.390	1.811	50	20	DDGD	
CC(C)(C)OCCCNC(=O)NNC(=O)Cc1ccncc1	852551823	YJYKRLLBONPDBS-UHFFFAOYSA-N	308.382	1.160	50	20	DDGD	
CSc1ccc(C)c(C(=O)NNc2ccc(C(N)=O)nn2)c1	757407318	HZQOAENTIODPCJ-UHFFFAOYSA-N	317.374	1.363	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)OCC(F)(F)F)c1	856026940	SAKSGRJMMBDGHG-UHFFFAOYSA-N	322.239	1.637	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCN(OC)CC2)cc1	854862625	LTXOLTAHDGZGEY-NTCAYCPXSA-N	315.373	1.698	50	20	DDGD	
C[C@H](C(=O)NNc1cnccn1)c1ccc(S(C)(=O)=O)cc1	753342025	VIRDZKGFJIYXJS-JTQLQIEISA-N	320.374	1.127	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CO[C@H]2CCCC[C@@H]2C)n[nH]1	869012069	FIKYKKWWIXDWJK-GWCFXTLKSA-N	308.382	1.003	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NN=C1CCN2CCC[C@H]12	765559953	NPOKUGSZGWGWEK-GFCCVEGCSA-N	318.333	1.314	50	20	DDGD	
O=C(CCCC[C@H]1CCSS1)N1C[C@@H](CO)[C@H](CO)C1	862580591	KARYFXRPRVZXKV-AVGNSLFASA-N	319.492	1.760	50	20	DDGD	
C[C@@H](CO[C@@H]1CCOC1)NS(=O)(=O)CC(C)(C)CCl	866942459	TXGWUGXPXRARAN-WDEREUQCSA-N	313.847	1.365	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cnc([C@H]2CCCO2)s1	760331789	LXDVPCCGJBPZFD-SNVBAGLBSA-N	309.391	1.946	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@H]2CCCNC2=O)c(Cl)c1	868118175	GYXMROAORIMGKX-VIFPVBQESA-N	324.768	1.327	50	20	DDGD	
N#Cc1cccc(NNC(=O)[C@@]2(C3CCCC3)CCNC2=O)c1	860313666	LQKGDAKZJLGZKH-QGZVFWFLSA-N	312.373	1.698	50	20	DDGD	
O=C(COc1ccc2c(c1)CCCC2)NNC(=O)c1cn[nH]c1	862472220	IMRWJQTUPPMIAY-UHFFFAOYSA-N	314.345	1.129	50	20	DDGD	
C[C@H](NS(=O)(=O)CC(C)(C)CCl)c1nnc2n1CCC2	866750830	RJMYBOOFYNKWOJ-VIFPVBQESA-N	320.846	1.470	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1occc1-c1ccccc1	869911964	DOCPCIKHAVGQQX-UHFFFAOYSA-N	318.329	1.371	50	20	DDGD	
Cn1ncc(COC(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)n1	869459577	FZYSHQKRTIFYRD-MKPLZMMCSA-N	314.183	1.812	50	20	DDGD	
Nc1ccc2c(c1)OCCN(S(=O)(=O)CBr)C2	866798426	DFXSKHWVPSWHIK-UHFFFAOYSA-N	321.196	1.145	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2nc3ccccc3[nH]2)s1	768504312	NNKAVMCWEOVFPL-UHFFFAOYSA-N	301.331	1.480	50	20	DDGD	
O=C(NNC(=O)c1cc(F)c(F)c(F)c1F)c1ccccn1	866649323	KITABWZDJREAOC-UHFFFAOYSA-N	313.210	1.713	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc(C)c1Cl	861065797	GEWKNQMOPMEJAS-SNVBAGLBSA-N	324.768	1.388	50	20	DDGD	
C[C@H](NNC(=O)[C@@]1(C2CCCC2)CCNC1=O)C(F)(F)F	862323269	TVSZUZZJUGJKJY-QPUJVOFHSA-N	307.316	1.255	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)nc1	860446366	RDPAGBNBPQAQFV-CWRNSKLLSA-N	323.352	1.897	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cccc([C@@H]2CCOC2)c1	761389921	RRDNUQCUVTTXRI-CQSZACIVSA-N	303.362	1.545	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)C2SCCS2)c1	768696065	WVCGGGPWJYOONP-UHFFFAOYSA-N	300.796	1.856	50	20	DDGD	
Cc1nn(C)c(C)c1CNS(=O)(=O)CC(C)(C)CCl	866894983	NAEZUQHHABJGMJ-UHFFFAOYSA-N	307.847	1.721	50	20	DDGD	
CCc1cnccc1C(C)=NNC(=O)[C@@H](C)CN1CCOCC1	765569205	GZXHCKHICPKKSO-ZDUSSCGKSA-N	318.421	1.453	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](C)n2cccn2)c([N+](=O)[O-])c1	768332107	DLKHMLMPPKZBNB-VIFPVBQESA-N	305.294	1.504	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc(C(C)(C)C)n[nH]2)n1	765602202	HLLVOCCQWSYRDC-UHFFFAOYSA-N	301.350	1.485	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@H](C)c2cnn(C(C)C)c2)cc[nH]1	875275818	ISQCTDQLHPFFCQ-GFCCVEGCSA-N	302.382	1.977	50	20	DDGD	
C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)NNC(=O)c1ccccc1	776845804	GBILDAQFNMYHRW-LLVKDONJSA-N	320.393	1.276	50	20	DDGD	
Cc1nnc2n1C[C@H](C(=O)OC[C@@H](C)CBr)CC2	770404141	PORVTTSHYKFOTJ-WCBMZHEXSA-N	316.199	1.723	50	20	DDGD	
COc1nc(C)ccc1C(=O)NNC(=O)c1ccc(Cl)nc1	777306802	CGCZIHINGPQFGO-UHFFFAOYSA-N	320.736	1.522	50	20	DDGD	
COc1cc(C(=O)NNc2ccn(C)n2)cc2c1O[C@@H](C)C2	1117984934	CNXMRIVYWQDZRL-VIFPVBQESA-N	302.334	1.509	50	20	DDGD	
COc1ccc(NC(=O)NNc2cc(Cl)nc(N)n2)cn1	776296441	NFNONRWDTWBQOW-UHFFFAOYSA-N	309.717	1.264	50	20	DDGD	
Cc1ccnc2nc(C(=O)NNc3cc(Cl)ccn3)nn12	778447998	YAWUXGCREWMJIN-UHFFFAOYSA-N	303.713	1.238	50	20	DDGD	
C[C@@H](CBr)CN1CCN(C(=O)N2CCCC2)CC1	770647200	ZEVBFYXLNGOQQK-LBPRGKRZSA-N	318.259	1.851	50	20	DDGD	
O=C(NN=C/C=C/c1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1	884408393	GQAXNFBVCUYGQB-BAGKHOJKSA-N	310.350	1.376	50	20	DDGD	
Cn1nc(C(=O)NN=C2CCCOCC2)c2ccccc2c1=O	770598184	YLFKWMBHZIMUQJ-UHFFFAOYSA-N	314.345	1.220	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)[C@H]1CCCS(=O)(=O)C1	885126831	HQMWODWQJDEUHO-JTQLQIEISA-N	316.810	1.916	50	20	DDGD	
Cc1noc(C2CC2)c1C(=O)NNc1ncccc1[N+](=O)[O-]	776172200	ZCMZMHGSOIATFU-UHFFFAOYSA-N	303.278	1.921	50	20	DDGD	
C[C@H]1CN(c2ccncc2)CCN1C(=O)NNC(=O)C(C)(C)C	884138021	BNFSETDMSMGXQJ-LBPRGKRZSA-N	319.409	1.379	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1c(F)cc(F)cc1F)C(C)C	885149416	ORHBTNVHNFBNEW-NSHDSACASA-N	303.284	1.708	50	20	DDGD	
CC[C@H](NC(=O)NNc1ccc(C#N)cn1)C1CCOCC1	888451173	NWKHNZBIEMHMBN-ZDUSSCGKSA-N	303.366	1.785	50	20	DDGD	
N#Cc1cc(F)ccc1NC(=O)C(=O)NNc1ccnc(F)c1	784851875	KUUXROOYFXCSKO-UHFFFAOYSA-N	317.255	1.313	50	20	DDGD	
Cc1ccc([C@@H](C)NC(=O)NNC(=O)C2CCOCC2)s1	883184675	BXNHMEGRTCWSDY-SNVBAGLBSA-N	311.407	1.875	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)c1cnn2cccnc12	788190837	PHVQFQWFRYLTJN-UHFFFAOYSA-N	301.281	1.634	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCCO[C@H]1CCOC1	885724967	OKIJXMZIVMERHS-CTXBLAANSA-N	302.330	1.221	50	20	DDGD	
CCNC(=O)NC1(C(=O)NNc2ccc(OC)cn2)CCCC1	781533976	QMTMPGAONRUVEL-UHFFFAOYSA-N	321.381	1.165	50	20	DDGD	
COc1cccc(C[C@@H](O)C(=O)NNc2ccc(C#N)cc2)c1	785419278	BKKJRKFWLRLDJK-MRXNPFEDSA-N	311.341	1.614	50	20	DDGD	
CC(=O)Nc1ccc(C(C)=NNC(=O)C(=O)NC(C)C)cc1	781587727	JAHGHRHCUPQRML-UHFFFAOYSA-N	304.350	1.010	50	20	DDGD	
Cn1nc([C@H]2CCCO2)cc1NC(=O)NNC(=O)c1ccc[nH]1	788723753	HJNQSLSHPPIDDG-LLVKDONJSA-N	318.337	1.066	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1c(C)[nH]c2ccc(F)cc12	782228555	ZURIIPDTKPSPLH-UHFFFAOYSA-N	306.297	1.422	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@H]1CO[C@H](C)C1	784018391	WPHDMTQSWWPTFE-VXGBXAGGSA-N	322.361	1.037	50	20	DDGD	
Cn1cc(C(=O)NNC(=S)NC(C)(C)C)c(C(C)(C)C)n1	899996827	UZVFJQRSATWFFF-UHFFFAOYSA-N	311.455	1.625	50	20	DDGD	
CCOC(=O)C1(CC(=O)NNc2cccc(OC)n2)CCC1	789845596	JVKAUTHWEUNVOO-UHFFFAOYSA-N	307.350	1.657	50	20	DDGD	
CC(=O)N[C@H](CC1CCC1)C(=O)NNc1cccc(C#N)c1	787458269	MMMCGNVVFINHJO-OAHLLOKOSA-N	300.362	1.696	50	20	DDGD	
COc1sc(C=NNC(=O)C(C)(C)O)cc1Br	785463938	XTGKVSWEYFRBLC-UHFFFAOYSA-N	321.196	1.740	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCCOC2)c2ccccc2n1	799010671	NHLOBLDTOZJBTR-GFCCVEGCSA-N	313.357	1.731	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2nc3ccccn3n2)c2ccccc21	791241830	CWMBMSHWZZJWJD-CYBMUJFWSA-N	322.372	1.796	50	20	DDGD	
CC[C@H]1CCC[C@@H]1NCC(=O)NNC(=O)c1ccc(F)cc1	794575895	OMEMIIAHQKGMPW-FZMZJTMJSA-N	307.369	1.755	50	20	DDGD	
COC(=O)c1nn(C)c(C)c1/C=C(/C#N)C(=O)C1CCOCC1	792905767	OBIPIJIUCOAJPO-WQLSENKSSA-N	317.345	1.418	50	20	DDGD	
C[S@@](=O)C1(CNC(=O)NNc2ncncc2Cl)CCC1	798104666	AXIOJMIEQZCWJL-HXUWFJFHSA-N	317.802	1.057	50	20	DDGD	
N#Cc1cccc(-c2cc(C(=O)NNc3cnccn3)on2)c1	790028420	BBLOJOOWRMSSGV-UHFFFAOYSA-N	306.285	1.760	50	20	DDGD	
C=C(CBr)CN1CCSC[C@@H]1C(=O)OCC	791446589	XKJOAYXOJVWDIX-SNVBAGLBSA-N	308.241	1.918	50	20	DDGD	
N#CC[C@@H](CC(=O)NNC(=O)N1CCOCC1)c1ccccc1	793275118	WEAFDCUCFNZREW-AWEZNQCLSA-N	316.361	1.147	50	20	DDGD	
CO[C@H]1CCC[C@@H](CC(=O)NNC(=S)NCCSC)C1	793767824	SNSWVOJJGQOHMN-MNOVXSKESA-N	319.496	1.440	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)O)c2ccc(F)cc2n1	1321193214	DNBRFBAVJMCWJQ-UHFFFAOYSA-N	305.309	1.214	50	20	DDGD	
NCCCCNC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	1328728298	LEWDUXKLWGLFTI-UHFFFAOYSA-N	322.453	1.662	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1cccc(O)n1	1323574629	ITTVEAQJQPRTKA-UHFFFAOYSA-N	314.330	1.458	50	20	DDGD	
CCOC(=O)COc1ccc(C=NNC(=O)C(F)F)cc1	1325158314	DOPLPZLJHXCYFB-UHFFFAOYSA-N	300.261	1.344	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1snnc1C(C)C	1335848109	UPDGTRQSZDEAAD-UHFFFAOYSA-N	319.481	1.133	50	20	DDGD	
CC[C@@H](C)n1nccc1C(=O)NNC(=O)c1cccc(C)n1	1337422759	CHYQCOIJEXDNES-LLVKDONJSA-N	301.350	1.632	50	20	DDGD	
Cc1cccc(F)c1CNC(=O)NNc1nncc(N)c1Cl	1333549396	BJKCXNZBEFGUJQ-UHFFFAOYSA-N	324.747	1.986	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc3c(c2)COC3)cc1	1338039724	XJAZFTSZQULBOQ-UHFFFAOYSA-N	312.325	1.800	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2c[nH]c3ccccc23)nn1C	1337520347	ZTRHNBHDVXYXOF-UHFFFAOYSA-N	311.345	1.539	50	20	DDGD	
C[C@H](Oc1ccc(C=NNC(=O)C2CCOCC2)cc1)C(=O)O	1331993768	HGDSIMVZTYGVNA-NSHDSACASA-N	320.345	1.415	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc2nonc2c1)C1CC1	1261746478	KUKHWVVHDACWDR-SSDOTTSWSA-N	305.363	1.130	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	1349068731	MPTKCMQPEBSNHL-GXTWGEPZSA-N	305.378	1.293	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@@H]2C[C@H]3C=C[C@H]2C3)n1	1521207851	CMTMGZIZUACZER-AVGNSLFASA-N	300.362	1.546	50	20	DDGD	
O=C(CN1C(=O)CCC1=O)NNc1ccccc1C(F)(F)F	1520837567	APRDFFDBLSPAFJ-UHFFFAOYSA-N	315.251	1.298	50	20	DDGD	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ccc(C(=O)O)c(F)c1	1606510229	DERBELCHBAWTBL-DTWKUNHWSA-N	310.281	1.166	50	20	DDGD	
CC(C)c1ccc([C@@H](NC(=O)NNC(=O)C(=O)O)C(C)C)cc1	1603994919	QIGHEYLLZNGXCL-ZDUSSCGKSA-N	321.377	1.922	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)cn1	1609257630	FSKMMGXCPUBLOG-UHFFFAOYSA-N	324.348	1.237	50	20	DDGD	
Cc1cc(NC(=O)/C(C#N)=C/c2cnn(C)c2)cc(C(=O)O)c1	1600249260	DPHOALGNHDTBJM-WLRTZDKTSA-N	310.313	1.972	50	20	DDGD	
Cc1nnc(C(=O)NNc2ccc(C(=O)O)c(Cl)c2)s1	1608013713	UAYGXRWZYGQQEM-UHFFFAOYSA-N	312.738	1.955	50	20	DDGD	
O=C(CC1CC(F)(F)C1)NNc1ccc(-c2nn[nH]n2)cn1	1606493783	BAUGZWRYSJPKME-UHFFFAOYSA-N	309.280	1.140	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1c(Cl)cccc1N1CCCC1	1602072136	RLOPADWNKCWMSE-UHFFFAOYSA-N	324.768	1.658	50	20	DDGD	
Cc1n[nH]cc1C=NNC(=O)[C@H]1CCCO[C@@H]1c1ccnn1C	1549317352	VAPQATCYRLMNLW-JSGCOSHPSA-N	316.365	1.070	50	20	DDGD	
Cn1ncc(C(=O)NNc2cccc(F)c2C(=O)O)c1C1CC1	1610614374	KOLGAZVDSRLLEI-UHFFFAOYSA-N	318.308	1.892	50	20	DDGD	
C/C=C/[C@@H]1CNC[C@H]1C(=O)NNC(=O)c1cccc2cccnc12	1576924106	FVDVERDTNSDZEZ-LDOQWONVSA-N	324.384	1.408	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1NCCc2cc(C#N)ccc21)C(F)(F)F	1576249715	BWEDIBPKAHRAIZ-QPUJVOFHSA-N	312.295	1.317	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@]12CCCC[C@@H]1NCC2)C1CC1	1576233100	FDPTUNULWGFLTH-ITDIGPHOSA-N	310.467	1.203	50	20	DDGD	
CCCCCCCC[C@@H](N)C(=O)NNC(=S)NC(C)C	1577430098	NXSKNLCWTDCXMN-GFCCVEGCSA-N	302.488	1.968	50	20	DDGD	
COCC1(C(=O)NNc2nc3ccncc3s2)CCNCC1	1578977131	UNULXQZLQODNOF-UHFFFAOYSA-N	321.406	1.151	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cc(C)c(-c2nn[nH]n2)c(C)c1	1581266775	ZNOAGKYTSYECHQ-UHFFFAOYSA-N	323.360	1.944	50	20	DDGD	
O=C(c1ccno1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843362915	MJIMYOWRBIGHDQ-SECBINFHSA-N	301.705	1.026	50	20	DDGD	
C[C@H](C(=O)O)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	1589364880	BTCATKYPJRJRGI-SFYZADRCSA-N	310.375	1.355	50	20	DDGD	
C[C@H](CN(C)S(=O)(=O)c1ccc(CCCl)cc1)C(=O)O	1589033376	DAYLBEWUYMFXLP-SNVBAGLBSA-N	319.810	1.809	50	20	DDGD	
COC(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843361805	VKUVWPKXLPHGMG-SECBINFHSA-N	306.765	1.149	50	20	DDGD	
O=C(O)CC[C@H]1C[C@@H](C(=O)NNc2ncccc2Cl)CO1	1595005567	OKCMLHNEXIYYCC-BDAKNGLRSA-N	313.741	1.448	50	20	DDGD	
Cc1ccc(-c2nn[nH]n2)cc1C(=O)NNc1ccnc(F)c1	1592099797	QPASIMJXFDAHMW-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
O=C(O)CC[C@@H]1C[C@@H](C(=O)NNc2ncccc2Cl)CO1	1595005576	OKCMLHNEXIYYCC-RKDXNWHRSA-N	313.741	1.448	50	20	DDGD	
CC(C)(C)n1nnc(C(=O)NNc2ccc(C(=O)O)c(F)c2)n1	1590610040	YGQDMRDZIBUQRT-UHFFFAOYSA-N	322.300	1.022	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1C[C@@H](C(=O)O)Oc2ccccc21	1596864304	UVEXGIXHNWRZQA-LXKVQUBZSA-N	302.286	1.309	50	20	DDGD	
CC1=NO[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)c(Cl)c2)C1	1590161093	DEUUHAFBRCTDJO-JTQLQIEISA-N	321.728	1.128	50	20	DDGD	
Cc1nsc(C=NNC(=O)c2ccc(O)cc2)c1C(=O)O	1776012609	ISVOSBMELAXUPR-UHFFFAOYSA-N	305.315	1.619	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCN1C(C)(C)C)c1cncc(C(=O)O)c1	1776098518	NWHDPQBLYVTIJM-ZDUSSCGKSA-N	318.377	1.493	50	20	DDGD	
N#Cc1cccc(NNC(=O)Cn2ncc3ccccc3c2=O)c1	152520010	PNXZBTAGTHKTQS-UHFFFAOYSA-N	319.324	1.411	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc3nc(S)oc3c2)[nH]n1	153890132	ZIJAVLUZZCPPDL-UHFFFAOYSA-N	317.330	1.223	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(C(C)=O)c[nH]2)c([N+](=O)[O-])c1	155272923	SQBOVECCJXCFCT-UHFFFAOYSA-N	318.289	1.891	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cccc(Cl)c1F	159253845	VMMMKYBUGFKWBW-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
CCS(=O)(=O)NCCNC(=O)c1cccc(CCl)c1	390138646	FVDFHDMOADKKJG-UHFFFAOYSA-N	304.799	1.095	50	20	DDGD	
Cc1nccn1CC(=O)N(C)NC(=O)OCc1ccccc1	862289254	NBMLOWOSUIBZST-UHFFFAOYSA-N	302.334	1.491	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNC(=O)[C@@H](C)Oc1ccccc1F	7698037	CJRQOUFELIMLPZ-OYVNLZQHSA-N	321.308	1.184	50	20	DDGD	
COc1cn(-c2ccccc2)nc1C(=O)NNC(=O)CC(C)C	10160770	MUFBNNQMPUVDHB-UHFFFAOYSA-N	316.361	1.688	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H]1CCCCN1C(=O)CCC	106752658	YXALCABUXHESQY-GFCCVEGCSA-N	312.414	1.298	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1ccc(N2CCCC2)nc1	65797808	RBBNZAPVABEJLQ-LBPRGKRZSA-N	319.365	1.014	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H](C)OC[C@H]2CCCO2)cc1	68754975	PYGHFRKCQJYLEV-SWLSCSKDSA-N	320.389	1.594	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)c2cccs2)C[C@H](C)O1	68194966	BKEIKXISXIRRAE-QWRGUYRKSA-N	311.407	1.008	50	20	DDGD	
CC(=O)NCCCOC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	63954041	OFKPBINIXHXETA-AUWJEWJLSA-N	314.345	1.182	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)[C@H]1CC1(Cl)Cl	122999107	CJDCFGQKSXBUSY-MRVPVSSYSA-N	322.217	1.815	50	20	DDGD	
CC[C@H](C)[C@@H](C)NCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	183087953	STEZHWFCEYTSOK-WDEREUQCSA-N	322.365	1.380	50	20	DDGD	
C[C@@H](Oc1cccc(Br)c1)C(=O)NN(C)C(N)=O	181060637	LGVBAFUHCNVJIS-SSDOTTSWSA-N	316.155	1.258	50	20	DDGD	
COC1(CNC(=O)NNC(=O)Cc2ccncc2)CCCCC1	185911845	KHZYRXXJOZYADG-UHFFFAOYSA-N	320.393	1.304	50	20	DDGD	
CCC[C@H]1CCCN(CC(=O)NNC(=O)c2ccccc2)C1	120825791	FJUGKOFKURHFHK-AWEZNQCLSA-N	303.406	1.960	50	20	DDGD	
CC(C)CCN(CC(=O)NNC(=O)c1ccccc1)C1CC1	182043715	CPHNNNNHYDUYQF-UHFFFAOYSA-N	303.406	1.958	50	20	DDGD	
Cc1cc(C(=O)NN(C)C(N)=O)c(C)cc1Br	182653842	GPZGVPNZRZRMCW-UHFFFAOYSA-N	300.156	1.721	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)CC[C@@H](C)c1ccccc1	129688330	APBMDOIDVFUKSO-GFCCVEGCSA-N	305.378	1.242	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNc1cccnn1)c1cccc(F)c1	77544116	OHIZWBJIAWVNDW-ZDUSSCGKSA-N	318.356	1.545	50	20	DDGD	
CC(C)COc1ccc(NC(=O)NNC(=O)c2ccc[nH]2)cn1	185535637	APYWKIKKDLTAHC-UHFFFAOYSA-N	317.349	1.911	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1ccc(CC(F)(F)F)cc1	189226908	DAQMNBZEMSBJMQ-UHFFFAOYSA-N	312.269	1.341	50	20	DDGD	
COc1ccc2c(c1)OC[C@H](C(=O)NNc1ncc(F)cn1)C2	122709979	QZQPPNFIBBXPKT-SNVBAGLBSA-N	318.308	1.319	50	20	DDGD	
CC(C)(C)c1ccccc1NC(=O)C(=O)NNc1cnccn1	122294148	XMYXJUAZIWDQGX-UHFFFAOYSA-N	313.361	1.856	50	20	DDGD	
O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NNc1ccccc1	126858590	CEDBQYXZFQLNHL-UHFFFAOYSA-N	324.340	1.223	50	20	DDGD	
CCCCC[C@@H](C)CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1	79337557	GAXLMWGNYFAOML-VXGBXAGGSA-N	318.439	1.175	50	20	DDGD	
CC(Cl)(Cl)C(=O)NNC(=O)Cn1ccc2ccccc21	180426604	AQCFKWTUSZRBKZ-UHFFFAOYSA-N	314.172	1.983	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@H](C)Cn1ccnc1	47028296	IMKXKFXCYCUJRW-GFCCVEGCSA-N	316.365	1.616	50	20	DDGD	
O=C(NNc1ncc(Cl)cc1Cl)[C@]1(O)CCSC1	133100635	KNRJXAIFVAZDBH-JTQLQIEISA-N	308.190	1.700	50	20	DDGD	
Cc1cc(C)c(NC(=O)C(=O)NNc2cc(C)ncn2)c(C)c1	190130977	NMRGOAHCXDMEPZ-UHFFFAOYSA-N	313.361	1.792	50	20	DDGD	
O=C(NCc1cccs1)NNc1ccc(-n2cccn2)nn1	42837756	CWDJYWOYTFSLBN-UHFFFAOYSA-N	315.362	1.550	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)CCn2cccn2)c1	47667965	HSEVBXWMMONUAH-UHFFFAOYSA-N	316.361	1.116	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F	192725283	OHLDQTRYKHIIQS-UHFFFAOYSA-N	316.688	1.688	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)C1=Cc2ccccc2OC1	190240553	LEOIRMRGLGIHPH-SNVBAGLBSA-N	310.375	1.417	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccncc1	134470567	FWXXTNCOOPSCGC-UHFFFAOYSA-N	320.692	1.718	50	20	DDGD	
CSC1(C(=O)NNC(=O)Cc2nc3ccccc3n2C)CC1	190005181	ONBQPXOINPNWJO-UHFFFAOYSA-N	318.402	1.159	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)C(=O)NNC(=O)Cc1ccccc1F	132672458	CZYJTCKDSZKSGG-SECBINFHSA-N	318.352	1.659	50	20	DDGD	
O=C(C[C@H]1CSCCS1)NNc1nc2ccccn2n1	191894021	QEJLNTRMFTVEEW-VIFPVBQESA-N	309.420	1.411	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccc([N+](=O)[O-])c(O)c1	191902828	FTWKEZBMBQSUAJ-UHFFFAOYSA-N	314.261	1.100	50	20	DDGD	
O=C(CSc1ccccc1)NNc1ncnc2[nH]cnc12	97595075	MNUFUPNYFAOESR-UHFFFAOYSA-N	300.347	1.588	50	20	DDGD	
Cc1ncc(CNC(=O)NNC(=O)c2ccccc2O)s1	98118636	UQEMCFSMMUDYNE-UHFFFAOYSA-N	306.347	1.301	50	20	DDGD	
CN1C(=O)CCc2cc(NC(=O)NNc3cnccn3)ccc21	92759844	UFPAYMKXCOHAAN-UHFFFAOYSA-N	312.333	1.534	50	20	DDGD	
Cc1nc(-c2ncccn2)sc1C(=O)NNC(=O)NC1CC1	143222273	BPEQHZSJRLXVFI-UHFFFAOYSA-N	318.362	1.015	50	20	DDGD	
C[C@H](CCO)CNS(=O)(=O)c1ccc(CCCl)cc1	97445297	PZFARAHQLVYXTL-LLVKDONJSA-N	305.827	1.765	50	20	DDGD	
O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1ccc2c(c1)OCO2	254482927	HXCWQLQHHNBGLV-UHFFFAOYSA-N	303.230	1.680	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1nnc(C(C)(C)C)s1	268348235	QQHUABMAYCTHFH-UHFFFAOYSA-N	313.427	1.712	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)C2CCC2)c(OC)c1	264735508	NVUGDKHBADDSDE-UHFFFAOYSA-N	307.350	1.334	50	20	DDGD	
Cc1ccc(-n2[nH]c(C(=O)NNC(=O)C3CCC3)cc2=O)cc1	266830911	KXRQCPAKGLPPLO-UHFFFAOYSA-N	314.345	1.035	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1ccc(Cl)nc1)C(C)C	266499530	DMJYDYIXGDICNL-JTQLQIEISA-N	300.746	1.559	50	20	DDGD	
CC(=O)N1c2ccccc2C[C@H]1C(=O)NNC(=O)c1ccccc1	363271714	SOWLIVXVACNLEJ-INIZCTEOSA-N	323.352	1.425	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)NC[C@@H]1CC=CCC1	264533196	YXFSTSVHUIHTPB-GFCCVEGCSA-N	319.361	1.458	50	20	DDGD	
CC(C)=CCCNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	276763356	GAFWKBWQBNMFGF-UHFFFAOYSA-N	322.321	1.601	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@]2(C)CCO[C@H]2C2CC2)nc1	363988938	YWPWFEOKQDWLRK-HOCLYGCPSA-N	320.393	1.922	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)CN2CCC(=O)NC2=O)cc1	272876745	XYQSOFYYAARCSR-UHFFFAOYSA-N	318.377	1.369	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNC(=O)CC(C)C)c(C)c1	274211413	TWLOCYYFDZZKFV-UHFFFAOYSA-N	307.350	1.136	50	20	DDGD	
Cc1nc(CCNS(=O)(=O)CBr)sc1C	272807572	MNCXQMATFMIIJS-UHFFFAOYSA-N	313.242	1.574	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)C[C@H]1CCCO1	270697597	ZHYOHVABAKVYJR-LLVKDONJSA-N	324.402	1.504	50	20	DDGD	
CC(C)(NC(=O)C(F)(F)F)C(=O)NNc1ccc(C#N)cc1	277317731	LCILFOWILCWCKN-UHFFFAOYSA-N	314.267	1.458	50	20	DDGD	
CCSc1cccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)c1	273790555	XCJFKQUUETVDDW-UHFFFAOYSA-N	323.418	1.931	50	20	DDGD	
CSSCCNC(=O)N1CCN(C2CCOCC2)CC1	375114255	PVTFRBIPKMJAQV-UHFFFAOYSA-N	319.496	1.504	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)NCc1ccc(Cl)cc1	280645213	CTKKJIYYFJHYRK-CQSZACIVSA-N	313.785	1.986	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1	286476163	UYFOCJJCIQAVLJ-CQSZACIVSA-N	305.378	1.628	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1cccc(NC(=O)OC)c1	286094765	AQNFCPVXKUMHMM-ZRDIBKRKSA-N	303.318	1.925	50	20	DDGD	
CCc1ccc([C@@H](O)CNS(=O)(=O)CBr)cc1	285412962	VBTHZSVHZBQJNE-NSHDSACASA-N	322.224	1.554	50	20	DDGD	
N#C/C(=C/c1ccc2c(c1)NC(=O)CO2)C(=O)[C@@H]1CCCOC1	280070117	PUMDQLQEOCNTMR-UHJIQDEKSA-N	312.325	1.920	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(Cl)c1	283659787	DZDVLAFIUNRPDS-JTQLQIEISA-N	310.741	1.080	50	20	DDGD	
O=C(NNc1cccnc1Cl)[C@H]1COCCN1C1CCCC1	807033536	TVDLCYIHVIPOAS-CYBMUJFWSA-N	324.812	1.822	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cnn(-c2ccncc2)c1	294466930	UQXRWFGQTONWOK-UHFFFAOYSA-N	303.322	1.437	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CCN1C(=O)CCC1=O	299646839	JJOBTKGCLWIDEK-UHFFFAOYSA-N	322.273	1.048	50	20	DDGD	
Cc1c(CC(=O)NNc2ccc(C(F)(F)F)nn2)cnn1C	293657865	VMPOWGFMVKRCEV-UHFFFAOYSA-N	314.271	1.223	50	20	DDGD	
Cc1cc(=NC(=O)NNC(=O)c2ccc[nH]2)c2ccccc2[nH]1	809888583	XHXGSEIKSZZXNG-UHFFFAOYSA-N	309.329	1.760	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)COCCCOC)cc1C	291234764	OHZVZICGNJDMLA-UHFFFAOYSA-N	324.377	1.668	50	20	DDGD	
O=C(NC[C@@H]1CCC=CO1)NNc1ccc2c(=O)[nH]ccc2c1	807153819	BUQGXJLXATWRLB-ZDUSSCGKSA-N	314.345	1.847	50	20	DDGD	
O=C(NCCc1ccccn1)NNc1ccc2c(=O)[nH]ccc2c1	806284256	VKQYWISZBSJIMR-UHFFFAOYSA-N	323.356	1.792	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)c1ccccc1F	293833606	GHCNQHWGMQOUMH-NKFCBESUSA-N	324.352	1.402	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1c[nH]cc1-c1ccccc1	802024560	HPKZUSCYMCIJCX-UHFFFAOYSA-N	321.340	1.965	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H](C)N2CCN(C)CC2)cc1	294371087	OQVBIZXZUGNQHM-ZDUSSCGKSA-N	306.410	1.164	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CSC[C@@H]2C)c1	807476489	GFYGSNBXWDRRLT-CABZTGNLSA-N	309.391	1.851	50	20	DDGD	
COC(=O)N(C)NC(=O)c1csc(-c2ccc(O)cc2)n1	804125291	ZFAFDHXZLYKGLW-UHFFFAOYSA-N	307.331	1.859	50	20	DDGD	
CN(NC(=O)c1cc(-n2cccn2)ccn1)C(=O)OC(C)(C)C	297543964	FGNCSAOYAZCKFJ-UHFFFAOYSA-N	317.349	1.779	50	20	DDGD	
CO[C@@H]1CCN(C(=O)NNC(=O)Cc2cccnc2)CC1(C)C	296234752	FLEMCAWHHHOLLE-CYBMUJFWSA-N	320.393	1.112	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C	808248902	SVWYJYHBDMGKOD-QMMMGPOBSA-N	319.254	1.212	50	20	DDGD	
COCc1nn(C)cc1C(=O)Oc1ccc([N+](=O)[O-])cc1OC	294497991	JLVMRHYVOQDZEI-UHFFFAOYSA-N	321.289	1.703	50	20	DDGD	
CC[C@@H](NC(=O)NCCSSC)[C@H](O)C(F)(F)F	807229457	XZVQGCIQHKCWOT-RQJHMYQMSA-N	306.375	1.999	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccnc(O)c2)cc1	802062943	VWWIIZVKBLABNG-UHFFFAOYSA-N	302.290	1.262	50	20	DDGD	
CC[C@H](C)Oc1cc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)ccn1	294036682	XWZKEXGYUOYSCA-GVXVVHGQSA-N	321.377	1.587	50	20	DDGD	
CCc1cc(NC(=O)NNC(=O)c2cnn(C)c2)ccc1F	806554739	DBSMXMCTZZWFNZ-UHFFFAOYSA-N	305.313	1.588	50	20	DDGD	
CNC(=O)NNC(=O)C1(Cc2ccc(F)cc2)CCOCC1	292490978	BIJCIRCJCCIVFT-UHFFFAOYSA-N	309.341	1.125	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=Cc1cn(C(C)C)nn1	807950637	WJTBIHFREPYXHC-UHFFFAOYSA-N	315.377	1.951	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNC(=O)c1ccc(Cl)cc1F	295024540	DRQNQUGWMKOJBL-SNVBAGLBSA-N	320.773	1.354	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)CCC(C)(C)[N+](=O)[O-])c1	294191920	BBSDNZMBXUUNEZ-UHFFFAOYSA-N	322.365	1.349	50	20	DDGD	
CC[C@H](C)CONC(=O)NNc1ccccc1S(C)(=O)=O	813822073	DSVGJXZKPYRRIP-JTQLQIEISA-N	315.395	1.694	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](CN)C1CCCC1	818001307	IGODKYYPSBQDSO-ZDUSSCGKSA-N	312.845	1.986	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(SC)s1	814865778	YPJKWOOJCTTXIT-VIFPVBQESA-N	302.421	1.972	50	20	DDGD	
CN(C)c1ccc(NC(=O)NN=Cc2c[nH]c(C(=O)O)c2)cc1	814857102	VXCGDZRJDBNSLV-UHFFFAOYSA-N	315.333	1.935	50	20	DDGD	
COc1ccccc1SCC(=O)NNc1ncncc1F	817078219	ZWHYSCDAEZTTDU-UHFFFAOYSA-N	308.338	1.860	50	20	DDGD	
CO[C@@H]1CCC[C@@H](C(=O)NNC(=O)Cc2ccc(F)cc2)C1	814368447	DKJPIMDOOQAPIM-TZMCWYRMSA-N	308.353	1.721	50	20	DDGD	
CN(NC(=O)CSCC(=O)N(C)C1CCCCC1)C1CC1	819646039	ZDKUSVWTXFCEEC-UHFFFAOYSA-N	313.467	1.636	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C[C@H]2COC(=O)C2)ccc1C	816688770	GCHXDALFARZUGW-SNVBAGLBSA-N	306.318	1.178	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)CCCC2=O)c1ccncc1	814682006	FJBLUHKHVWQDFC-UHFFFAOYSA-N	309.325	1.675	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=Cc1cccc(C(=O)O)c1	814743023	QDGONQIGQKBZKP-UHFFFAOYSA-N	323.308	1.786	50	20	DDGD	
CC(=NNC(=O)Cn1nc(C)cc1C)c1ccc(O)cc1F	729932158	FPQVRIVBCDJAAP-UHFFFAOYSA-N	304.325	1.885	50	20	DDGD	
CCN(CCO)NC(=O)[C@H](c1ccccc1)N1CCSCC1	823852394	GQBXIJDKOKYBON-HNNXBMFYSA-N	323.462	1.122	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C	823951132	ICIFLUQNHCIQHV-LLVKDONJSA-N	317.430	1.414	50	20	DDGD	
O=C(CN1CCCC1=O)NNC(=O)c1cccc(C(F)F)c1	827831961	PCKLELCGDFRQFQ-UHFFFAOYSA-N	311.288	1.008	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1cc(-c2nn[nH]n2)ccc1Cl	821313300	DAJDCCFMOLCWAR-CLFYSBASSA-N	318.724	1.903	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(C)c2c1CCC2	822786855	YHVKNIROKREXAC-UHFFFAOYSA-N	305.378	1.464	50	20	DDGD	
Cc1cccnc1C=NNC(=O)NCCNC(=O)OC(C)(C)C	495222092	PJDQHVTWRQGUCV-UHFFFAOYSA-N	321.381	1.548	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1	490976994	SBPIGZWPFGLIKI-WCRPCQDQSA-N	315.373	1.636	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2CCC(=O)N(C)C2=O)c(Cl)c1	824787794	CYIVSLNPIZFQHC-LLVKDONJSA-N	324.768	1.422	50	20	DDGD	
Cc1nc(CC(=O)NNc2cccc(-c3nn[nH]n3)c2)cs1	826325223	RGZIQLWPQXALKY-UHFFFAOYSA-N	315.362	1.317	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc(OC(F)F)cc1	496003596	UIPGKUFWAPTGDS-UHFFFAOYSA-N	317.248	1.004	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1	823983394	SLLIYDSQXJSGFO-VIFPVBQESA-N	308.769	1.688	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1	823841871	MCGKUHSGYMSRBX-CQSZACIVSA-N	319.405	1.002	50	20	DDGD	
CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)NNC(=O)C1CC1	491016869	YYNKCVSKGWGQRK-OAHLLOKOSA-N	313.398	1.627	50	20	DDGD	
Cn1nc(C2CCCC2)cc1NC(=O)c1ccc(B(O)O)cc1	584972798	HHHWQAJJUMRTDJ-UHFFFAOYSA-N	313.166	1.010	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(OC)c(-c2ccccn2)c1	823869247	FOTREFBZBGWOAI-UHFFFAOYSA-N	315.373	1.716	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)o1)c1nc(C(C)(C)C)cs1	585022156	KAVZUGIRUHEXBM-VIFPVBQESA-N	308.212	1.564	50	20	DDGD	
CCCN(NC(=O)c1ccc2nn[nH]c2n1)C(=O)OC(C)(C)C	496040291	JSJGSWJDRJHGOW-UHFFFAOYSA-N	320.353	1.645	50	20	DDGD	
CC(C)(C)[C@@H](NC(=O)c1ccc(B(O)O)cc1)c1ccco1	584947707	YVGFOJULHBQRPU-AWEZNQCLSA-N	301.151	1.477	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1	823964522	AYKGYRIXFWFHTG-HIFRSBDPSA-N	323.412	1.382	50	20	DDGD	
O=C(NN=C1C[C@@]2(CCOC2)Oc2ccccc21)c1cn[nH]c1	901267744	NTQFIZOOVASYKW-MRXNPFEDSA-N	312.329	1.485	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc(C(C)C)cc1	901965332	BZNSBKCWJDGHHK-UHFFFAOYSA-N	308.403	1.923	50	20	DDGD	
C[C@@H]1C[C@H]1C=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	820667921	OVQGRTRDGCSPKA-KOLCDFICSA-N	300.322	1.004	50	20	DDGD	
CN(C/C=C\C(=O)NNc1ncncc1F)CC(F)(F)F	492941174	OLGPBEQENOALAK-IHWYPQMZSA-N	307.251	1.109	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@@H](C2CC2)C(C)(C)CO)cn1	491047439	IVBIECXHVKYKDD-BLXFFLACSA-N	302.378	1.240	50	20	DDGD	
COC(=O)C[C@H](C)S[C@@H](C)C(=O)NNC(=O)CC(C)C	734983370	STCHIQOHCRJZJS-UWVGGRQHSA-N	304.412	1.253	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1C#N)c1cncs1	734746848	LZSGHORIOZYKCN-UHFFFAOYSA-N	300.343	1.934	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)c1cnc2n1CCC2	832325538	QZDITFSMXHNKMP-UHFFFAOYSA-N	322.166	1.744	50	20	DDGD	
CCO[C@@H]1COC[C@H]1NC(=O)NNc1cccc(F)c1F	838719360	MRDYRZCEZHPHQD-GHMZBOCLSA-N	301.293	1.395	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)N=c2cc[nH]cc2)CCCS1	836360094	WQSGOXIDSPKEEY-CYBMUJFWSA-N	309.395	1.125	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN[C@@H]1CCC[C@@H]2C[C@@H]21	830572848	SOGYARRWJLOJDL-OWCLPIDISA-N	315.417	1.463	50	20	DDGD	
Cc1ccc(Sc2ncccc2C(=O)NCB(O)O)cc1C	585062327	FZXIFOYJOCMPMQ-UHFFFAOYSA-N	316.191	1.591	50	20	DDGD	
Cc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@H]2CCCCO2)cc1	833262007	SNZDQKSLUKIZBG-GXTWGEPZSA-N	306.362	1.479	50	20	DDGD	
COc1ccc(CNC(=O)NNc2cccnn2)cc1[N+](=O)[O-]	736379869	YBLMMTXKJOTKRM-UHFFFAOYSA-N	318.293	1.220	50	20	DDGD	
COc1cc(CN2CC[C@@H](B(O)O)C2)c(SC)cc1OC	585077862	XHDQDQRWANQEEY-LLVKDONJSA-N	311.212	1.474	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cc3c(F)cccc3s2)cn1	735444180	QGOPGOZEODKGTR-UHFFFAOYSA-N	318.333	1.849	50	20	DDGD	
O=C(N[C@@H](c1cccs1)C1CC1)c1ccc(B(O)O)cc1	584928462	LPQOKSSATOVCIO-CQSZACIVSA-N	301.176	1.309	50	20	DDGD	
CC(C)[C@]1(C)C[C@H]1NC(=O)NNC(=O)c1cccc(C#N)c1	838768297	ZUHNTMFSKWTOQW-CJNGLKHVSA-N	300.362	1.937	50	20	DDGD	
CON(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(CCl)cc1	918449337	VTFKWYGBUMPMDO-SECBINFHSA-N	320.798	1.112	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(OCc2cccnc2)cc1	910172800	GFOHQZDJKCBOKN-CYBMUJFWSA-N	315.373	1.618	50	20	DDGD	
CC(C)(C)N1C[C@@H](C(=O)NNC(=O)c2ccccc2)CC1=O	914709008	QORQOYNNNIHNLH-LBPRGKRZSA-N	303.362	1.095	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	913435756	ORVPBGONJQPZJX-UHFFFAOYSA-N	314.754	1.543	50	20	DDGD	
CC(C)NC(=O)NN=C[C@@H](C)c1ccc(S(C)(=O)=O)cc1	834951240	RUXNDNZMUQFRMQ-LLVKDONJSA-N	311.407	1.887	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1c[nH]nc1-c1c(F)cccc1F	910160456	IWAVTVGHKGXPPM-QMMMGPOBSA-N	310.304	1.312	50	20	DDGD	
O=C(NC[C@H]1CCCC1(F)F)NNC(=O)c1ccccc1O	838674481	USLLIXIRWABCIZ-SECBINFHSA-N	313.304	1.772	50	20	DDGD	
Cc1c(C(=O)NN(C)C[C@H](C)O)cnn1Cc1ccccc1	910171235	VJZPJTAJJAJOEC-LBPRGKRZSA-N	302.378	1.197	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccccc2)CCC1)c1ncccn1	841350578	NIMMNCUWFADWFV-UHFFFAOYSA-N	310.357	1.651	50	20	DDGD	
CN(C)CC(=O)NN=Cc1cccc(O)c1Br	841626735	JNIBYAKOHYFUDH-UHFFFAOYSA-N	300.156	1.166	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](c2ncc[nH]2)C1	746452954	CNICSUOBZHCLHC-CHWSQXEVSA-N	321.425	1.171	50	20	DDGD	
CC(C)CN1CCN(S(=O)(=O)CC(C)(C)CCl)CC1	866406935	KWNBKRVBXOCVIL-UHFFFAOYSA-N	310.891	1.855	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NC[C@@H]2CCCS2)cc1	845035067	IMMOCAWMFIQWDJ-ZDUSSCGKSA-N	323.418	1.924	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1ccc(OCC(C)C)cc1	744828265	WXFGOAFHCKKRCZ-UHFFFAOYSA-N	317.389	1.840	50	20	DDGD	
CSc1ccccc1CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843663969	ZZAKBTAPVWLHIN-PWSUYJOCSA-N	308.403	1.523	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC2CCNCC2)c1	841923604	ALTGJRBWCCACFI-UHFFFAOYSA-N	306.366	1.099	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@H](C)NC(=O)NNC(=O)Cc1ccncc1	840422490	BXOXBUCXBYGHKF-MEDUHNTESA-N	320.393	1.158	50	20	DDGD	
CCn1nncc1/C=C(/C#N)C(=O)c1cccc2c1OCCO2	841484805	CGMWGKHJUVOVLW-FLIBITNWSA-N	310.313	1.859	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2cncc(C)c2)c1	743295417	LCBQAMFSYVWCAU-UHFFFAOYSA-N	314.345	1.272	50	20	DDGD	
CC(C)(N)CNC(=O)NNc1ccccc1OC(F)(F)F	841951676	XELMXTRZMSSAMD-UHFFFAOYSA-N	306.288	1.949	50	20	DDGD	
Cn1nc2c(c1C(=O)NNc1cccc([N+](=O)[O-])c1)CCCC2	748002873	ZAHRRHCVMJZXSW-UHFFFAOYSA-N	315.333	1.964	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC[C@@H](C)C(=O)O)c1ccccc1	848586156	SJZJLDMZEVGCDR-ZYHUDNBSSA-N	307.350	1.231	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cn(-c2ccccc2)cn1	845296261	JRVJRCGLSYKVCJ-UHFFFAOYSA-N	301.350	1.616	50	20	DDGD	
C[C@@H]1OC(=O)N[C@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	841440512	WKZKQCSVCRZEKA-YLWLKBPMSA-N	304.228	1.040	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=Cc2ccc(C#N)o2)c1	743436762	FDJZHMJNNHWSJO-UHFFFAOYSA-N	317.326	1.319	50	20	DDGD	
CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NNC(=O)C1CCCC1	748175135	VLYFKJIADTZXTF-ZDUSSCGKSA-N	323.437	1.751	50	20	DDGD	
O=C(CCn1cccc1)NNC(=O)c1ccc2c(c1)OCCO2	746016038	JEDKMNOCEOXEFF-UHFFFAOYSA-N	315.329	1.111	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCc1nncn1C(C)C	740743946	HUOWEHJWUWPOAL-UHFFFAOYSA-N	324.816	1.841	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C1CO[C@@H](C)C1	842536407	RQHPPCUMJGPGDS-JQWIXIFHSA-N	309.366	1.184	50	20	DDGD	
N#Cc1ccc(C(=O)NN=Cc2ccc(O)c([N+](=O)[O-])c2)cc1	747050487	FNCLKABSOARMAV-UHFFFAOYSA-N	310.269	1.936	50	20	DDGD	
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2C(=O)NNC(=O)C1CC1	929232418	QTLCTOMSCOFLMW-WOPDTQHZSA-N	323.393	1.332	50	20	DDGD	
NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1ccccc1Br	847599552	IEVBWGBCWQVTGH-YUMQZZPRSA-N	312.167	1.404	50	20	DDGD	
O=C(NCCc1nc2c(s1)CCC2)NNc1ncccn1	926572223	CYBXKIQTKPNUDK-UHFFFAOYSA-N	304.379	1.291	50	20	DDGD	
COC1(C(=O)NNc2ccc(C(F)(F)F)nn2)CCCC1	754284379	ZZBXOYQHOXHKJW-UHFFFAOYSA-N	304.272	1.898	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@H](c2ccccn2)C2CC2)cn1	928610333	IAYOBSGQFBUBOC-SBNBMVPLSA-N	307.357	1.990	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1ccn(CC(F)(F)F)n1	757746847	DTRGXLVHOGXISZ-UHFFFAOYSA-N	319.287	1.788	50	20	DDGD	
CC(C)c1cccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1	854294765	KVZJULAJFRXPGE-ZDUSSCGKSA-N	324.402	1.006	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2cnns2)cc1C	755334928	LLUKKCFEXHEOHA-UHFFFAOYSA-N	321.362	1.387	50	20	DDGD	
C[C@H](COCC1CCCCC1)NC(=O)NNC(=O)c1ccc[nH]1	925726658	VRLDYAGNSOYCSO-GFCCVEGCSA-N	322.409	1.944	50	20	DDGD	
O=C(CCc1cccnc1Cl)NNC(=O)CC(F)(F)F	854997271	BUNGEQYFMNUWEP-UHFFFAOYSA-N	309.675	1.767	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1cccc(N2CCCC2=O)c1	753947091	WJASFZUTQHZBIZ-UHFFFAOYSA-N	302.334	1.376	50	20	DDGD	
CC(CN1C(=O)CCC1=O)=NNC(=O)C(C)(C)c1ccccc1	754943865	KCILTIVLJBZZIX-UHFFFAOYSA-N	315.373	1.605	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NNC(=O)NCC2CC2)C1	751372522	SKAJTDAKFNRMQP-AAEUAGOBSA-N	324.425	1.012	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNc1cccc(C(=O)OC)c1C	855626199	WKSCROVDYJHMNH-SECBINFHSA-N	308.334	1.424	50	20	DDGD	
CCc1nn(C)cc1C(=O)NC[C@@]1(C)C[C@H]1Br	857395654	SSKIJAJZNMSVFE-ZYHUDNBSSA-N	300.200	1.886	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)[C@H]1CCc2c[nH]nc2C1	855622413	FDDDZAIZCPZOTR-QMMMGPOBSA-N	319.296	1.705	50	20	DDGD	
C#CC(=O)NNC(=O)COc1ccc(OCc2ccccc2)cc1	753888211	XOHSABUTHOZMPZ-UHFFFAOYSA-N	324.336	1.425	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1	853000905	SHGIEIGXNDELAA-DMIOIOJGSA-N	323.393	1.946	50	20	DDGD	
CCc1ccc(OCC(=O)NNC(=O)OCC(F)(F)F)cc1	856026498	AXKHJIUZQCSILZ-UHFFFAOYSA-N	320.267	1.948	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)COC3)o1	753084539	GHXACZDDKXBZBM-UHFFFAOYSA-N	322.342	1.242	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1cccc2c1OCO2	757995510	MWZRPPMACUMKGZ-UHFFFAOYSA-N	314.301	1.206	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)CC(F)(F)F	920284607	BNMFQMAUDVCJJG-UHFFFAOYSA-N	300.240	1.136	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)Cc1ccncc1)C1CCCC1	852657699	SCSIPUAISXHUFC-CQSZACIVSA-N	320.393	1.160	50	20	DDGD	
Cc1nnsc1C(=O)NNC(=O)Cc1c[nH]c2ccccc12	753061626	RZJIOROPUYYMCY-UHFFFAOYSA-N	315.358	1.332	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@@H](O)C1CC1	854196469	AFZAQOPDHBPZSU-DFKQUSKVSA-N	306.406	1.511	50	20	DDGD	
CC(=O)[C@H](C)SCC(=O)NNC(=O)c1cccc(C#N)c1	751471361	VEYGTMSIVJEYSS-JTQLQIEISA-N	305.359	1.030	50	20	DDGD	
CCCN(CCC)C(=O)CCCC(=O)NN(C)C(=S)NC	854923672	DTFKZNFQOMFHMI-UHFFFAOYSA-N	316.471	1.273	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H]2CC[C@H](C(N)=O)C2)C[C@H]1Br	856862656	GJCXCRGYNRAWPG-FNOROQBZSA-N	318.215	1.113	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cnccn2)n(C(C)(C)C)n1	756063334	XSVYYFKJOXVZBD-UHFFFAOYSA-N	317.353	1.203	50	20	DDGD	
Cn1cc(CCC(=O)NC[C@]2(C)C[C@@H]2Br)cn1	857397910	JMSPKAWPYLQFEW-JQWIXIFHSA-N	300.200	1.642	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)[C@@H]1CCCCS1(=O)=O	855465902	XWKBNUCMRQIXKC-VIFPVBQESA-N	303.771	1.145	50	20	DDGD	
COCCn1ccc(C(=O)NC[C@@]2(C)C[C@@H]2Br)n1	857390686	GVJBLZHTGXGAEW-CMPLNLGQSA-N	316.199	1.433	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2cccc(F)n2)CC2(CCC2)O1	852712364	JIKCLFCTNBTDJF-SNVBAGLBSA-N	322.340	1.219	50	20	DDGD	
Cc1ccc(NNC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1F	856231536	BMFKFAGDFDPRPA-JTQLQIEISA-N	300.355	1.402	50	20	DDGD	
CNC(=S)N(C)NC(=O)COCc1nc2ccccc2s1	854927807	HYZWPDFTHUTQLS-UHFFFAOYSA-N	324.431	1.280	50	20	DDGD	
COC[C@H](C)Oc1ccc(/C=C(\C#N)S(=O)(=O)N(C)C)cc1	853008519	SHGMIOAQKZUXBJ-DGGAMASNSA-N	324.402	1.856	50	20	DDGD	
CC(C)(C)OC(=O)NCCC=NNC(=O)c1cccc(F)n1	853442986	XNEYWEGOPKLHJL-UHFFFAOYSA-N	310.329	1.851	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1cccc(F)n1)N1CCCCC1	852184888	IMINHPUOQYKHMQ-NSHDSACASA-N	323.372	1.039	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1	751104227	XRXOZWKIMZVXDW-GFCCVEGCSA-N	324.812	1.905	50	20	DDGD	
C[C@@]1(CNC(=O)NCCCNC2CC2)C[C@@H]1Br	857104417	UDURCWAYIWFMAV-JQWIXIFHSA-N	304.232	1.601	50	20	DDGD	
CCc1nc(O)c(C(=O)NNc2cccc(OC)n2)cc1C	935295299	LBXKAQZFFQHMRN-UHFFFAOYSA-N	302.334	1.819	50	20	DDGD	
CC(C)(C)NCCC(=O)NNc1ccc2c(=O)[nH]ccc2c1	935870992	LHEGPYLNIHOZEB-UHFFFAOYSA-N	302.378	1.749	50	20	DDGD	
C[C@@H](CC(N)=O)C(=O)NNc1ccc(OC(F)(F)F)cc1	863103401	YFVAHJFUSJERFF-ZETCQYMHSA-N	305.256	1.540	50	20	DDGD	
CO[C@H](CC(=O)NNCC(F)(F)C(F)(F)F)C(F)(F)F	863102736	UTESOTSAXJWOAR-SCSAIBSYSA-N	318.164	1.772	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C2CC(OC)C2)cc1	861764883	DNXIYEMJIBLDMG-UHFFFAOYSA-N	306.362	1.200	50	20	DDGD	
CN(CC(=O)NNc1ccc(S(C)(=O)=O)cc1)C1CCC1	863898322	HEBFJXAJQZJYIV-UHFFFAOYSA-N	311.407	1.018	50	20	DDGD	
C[C@@H](C[C@H](O)c1ccccc1)NS(=O)(=O)CBr	769933922	KEJNZDWMNDNWMS-ONGXEEELSA-N	322.224	1.770	50	20	DDGD	
NC(=O)C(=O)NN=CCCCc1cccc(C(F)(F)F)c1	769761976	DVPBTYJXFFHVPT-UHFFFAOYSA-N	301.268	1.615	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cnc2n1CCCC2	863097666	NIPVRKQHHYLGPT-UHFFFAOYSA-N	312.242	1.651	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@H]1COc2ccc(Cl)cc21	762353534	FDSAXRUDJXUIMO-NSHDSACASA-N	320.736	1.746	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H]2CCN(CC(F)(F)F)C2)cc[nH]1	862511830	CDSODBWCFSDODO-JTQLQIEISA-N	302.300	1.139	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NC[C@H](CO)c1ccccc1	866923072	LTFOTJZQDIFIKW-CYBMUJFWSA-N	319.854	1.947	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)c1ocnc1C	762370037	DMFGQLIVNACQMR-UHFFFAOYSA-N	321.358	1.545	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1c(F)cccc1Cl	764761505	NMEGMDWYJPXZJU-UHFFFAOYSA-N	313.638	1.985	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cc(F)c(O)c(F)c2)c1	762597241	BVYJUKUARVOXTQ-UHFFFAOYSA-N	317.251	1.617	50	20	DDGD	
Cc1ccc(C)c(-c2cc(C(=O)NNC(=O)c3cn[nH]c3)n[nH]2)c1	768264793	NZJHUZJMKVFIBY-UHFFFAOYSA-N	324.344	1.491	50	20	DDGD	
Cc1cccc2sc(NNC(=O)NCCC(=O)N(C)C)nc12	868357514	ZQAVIPZOFUSUKP-UHFFFAOYSA-N	321.406	1.709	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=C2CCCC[C@@H]2N2CCCCCC2)N1	863149064	QCLNNDLRQLWSFG-GJZGRUSLSA-N	320.437	1.556	50	20	DDGD	
CCO[C@H](C(=O)NNc1nnc(-c2ccccn2)s1)C1CC1	861245621	XSJJUMLQBXQYQD-NSHDSACASA-N	319.390	1.858	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2cccc(Br)c2)N1	863147016	ZVBBVQHAGISIFI-JTQLQIEISA-N	310.151	1.178	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC2CC(F)(F)C2)cc1	1117715030	VCQAWQZRAMOLQX-UHFFFAOYSA-N	313.304	1.685	50	20	DDGD	
C[C@H](C=NNC(=O)C1CCN(c2ncccn2)CC1)CCC#N	766021561	VDSFPZIUTWXDQW-ZDUSSCGKSA-N	314.393	1.735	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)Nc1cnn(CCF)c1	861484287	KQAIDWUYVYPAKM-UHFFFAOYSA-N	319.340	1.556	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=C1CCN2CCC[C@@H]12	765562410	HAYURXXMJRJFHW-NHYWBVRUSA-N	305.353	1.933	50	20	DDGD	
CN(C)c1ccc2c(c1)NC(=O)C2=NNC(=O)NC1CCCC1	761800259	ODMSWIBMBQMMRD-UHFFFAOYSA-N	315.377	1.651	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1CNC(=O)NNC(=O)C1CCNCC1	1118029477	YQCFZHKTBOXYRS-OCCSQVGLSA-N	310.442	1.533	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1Cl	763817835	XRVXIJATWXHCMH-UHFFFAOYSA-N	318.160	1.735	50	20	DDGD	
Cc1ncccc1CC(=O)NNc1nc(-c2ccncc2)no1	1117133653	NPRSDFMKWPIKGG-UHFFFAOYSA-N	310.317	1.521	50	20	DDGD	
CC1CCN(CC(=O)NNC(=S)Nc2ccccn2)CC1	874956356	UYNHOPGSPITEOD-UHFFFAOYSA-N	307.423	1.131	50	20	DDGD	
COCCOCC(=O)NN=C1CCOc2c(Cl)cccc21	872400571	MJFFKGROCUGXEA-UHFFFAOYSA-N	312.753	1.606	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCCOc1ccccc1OC	875235653	ONWQRYUDRFKWJC-UHFFFAOYSA-N	311.338	1.377	50	20	DDGD	
Cc1cc2c(cc1NC(=O)NNC(=O)C1CCOCC1)OCO2	879141430	OBXRMXKYRGKCQK-UHFFFAOYSA-N	321.333	1.303	50	20	DDGD	
Cc1ccc2c(n1)N(S(=O)(=O)CBr)CCC2	872679277	VDJQTOLAGSLBRM-UHFFFAOYSA-N	305.197	1.825	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](CO)CC(F)(F)F	778587096	OOZZQRWQANJOTL-SECBINFHSA-N	319.283	1.252	50	20	DDGD	
O=C(NNc1cccc(F)c1Cl)N[C@H]1CCS(=O)(=O)C1	874979663	VEQQAQFQDDPWPY-ZETCQYMHSA-N	321.761	1.292	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1cc(F)cc(F)c1O	872401895	MPUPYUSLWHFJNI-UHFFFAOYSA-N	302.277	1.174	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)COc1ccccc1C#N	772854613	VOXMXEKWTNYQRU-UHFFFAOYSA-N	311.345	1.994	50	20	DDGD	
CN(NC(=O)c1ccc2nc(C(F)(F)F)cn2c1)C(N)=O	771440328	RRQGNBKKJWNDPJ-UHFFFAOYSA-N	301.228	1.008	50	20	DDGD	
O=C(CO)NN=C(Cc1ccccn1)c1ccc(Cl)cc1	776779251	CPEIDCOENUJDGI-UHFFFAOYSA-N	303.749	1.790	50	20	DDGD	
CC1(C(=O)NNC(=O)c2cccc(Cl)n2)CC(F)(F)C1	880697623	RTMMPFZDWAJBHD-UHFFFAOYSA-N	303.696	1.931	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)COC1(C)CCC1	773252439	ROVZBROYUCYRTO-UHFFFAOYSA-N	322.361	1.181	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CNC(=O)CC1CCCC1	772878205	URMZQVNIBQSPNL-UHFFFAOYSA-N	319.409	1.740	50	20	DDGD	
C[C@H]1CCN(C(=O)NNC(=O)c2cccnn2)CC12CCC2	883850875	HAEBWKGALZXHCJ-NSHDSACASA-N	303.366	1.343	50	20	DDGD	
C=Cc1ccc(CCNC(=O)NNC(=O)C2CCOCC2)cc1	883658670	KXEFZDZYQIAVAJ-UHFFFAOYSA-N	317.389	1.629	50	20	DDGD	
CCOc1cccc(C=NNC(=O)C(C)(C)O)c1OC(F)F	785457797	HDOCNVQFQZNZHY-UHFFFAOYSA-N	316.304	1.908	50	20	DDGD	
CC1(C)[C@H](NC(=O)NNc2ccc(C#N)cn2)[C@H]2CCCO[C@H]21	888382579	ALYHMWSNNJKKNU-MRVWCRGKSA-N	315.377	1.783	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H](C)[C@@H]1CCCOC1	780010291	DRDONTOUXXLZPH-NWDGAFQWSA-N	321.377	1.454	50	20	DDGD	
CSCc1ccc(C(=O)NNC(=O)C2CCOCC2)cc1	883058866	DQNAPWOXWLEKFB-UHFFFAOYSA-N	308.403	1.737	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	785419521	KKSBGJLKFRFWRA-HXFLIBJXSA-N	320.246	1.415	50	20	DDGD	
Cc1ccc(NNC(=O)NCCN2CCNC2=O)c(Cl)c1	891075418	NBLVXXLFVVNWCZ-UHFFFAOYSA-N	311.773	1.300	50	20	DDGD	
CNc1ccc(C(=O)NNc2ncncc2Cl)cc1[N+](=O)[O-]	781819897	KUKUBRYQFYTHOB-UHFFFAOYSA-N	322.712	1.837	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](Oc2cccc(F)c2)C1	784483012	AKKIRNZDLRKOOP-FZMZJTMJSA-N	323.368	1.225	50	20	DDGD	
CCCCS(=O)(=O)/C(C#N)=C/c1ccc(C(=O)OC)n1C	899368646	KVRZRKWLQZKDHM-FMIVXFBMSA-N	310.375	1.891	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)c(C)c1	891957950	RBNFHCWJABLYKK-KNXALSJPSA-N	315.373	1.088	50	20	DDGD	
O=C(NN=C1CCC2(CCCO2)CC1)[C@@H]1CCS(=O)(=O)C1	788016279	SDBHBDXIWJYPKE-YNODCEANSA-N	314.407	1.017	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H](C)c2c(C)nn(C)c2C)n1	794086295	GXMMUTYDINGHIQ-JTQLQIEISA-N	315.377	1.305	50	20	DDGD	
C[C@@H](O)c1ncc(C=NNC(=O)c2ccc(O)c(O)c2)s1	794559271	UBHFVDQPPQYVGB-SSDOTTSWSA-N	307.331	1.372	50	20	DDGD	
CC(=O)NNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-]	798272339	MVQWUCADUBDNHZ-UHFFFAOYSA-N	300.274	1.438	50	20	DDGD	
C=CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	899975319	NAXPWRPSGNUNAH-UHFFFAOYSA-N	317.389	1.992	50	20	DDGD	
O=C(NNC(=O)c1cn2c(n1)CCCC2)c1cccc(Cl)c1	799295339	HZHYXUOIJVFDPP-UHFFFAOYSA-N	318.764	1.948	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)Nc1cnn(C(F)F)c1	792347238	PFUOSUAQSYERIL-UHFFFAOYSA-N	308.252	1.470	50	20	DDGD	
Cc1cccc(C(=O)NN[C@@H](C(=O)N(C)C)c2ccccc2)n1	795469754	WHMIHGGNKYONSP-OAHLLOKOSA-N	312.373	1.454	50	20	DDGD	
C[C@@H](Oc1ccc(C=NNC(=O)[C@@H]2CCOC2)cc1)C(=O)O	794940491	WKQIKEARUSTKGD-ZYHUDNBSSA-N	306.318	1.025	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H](C)C(C)(C)CN(C)C)n1	792991674	CLHCVUNGFPDHHQ-LBPRGKRZSA-N	321.425	1.310	50	20	DDGD	
CSSCCNC(=O)N1CCN(CC(C)C)C(=O)[C@H]1C	790882589	QOFDKBYOTWXSPK-LLVKDONJSA-N	319.496	1.896	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C(F)(F)c2ncccc2C)n1	794090459	SWKWOEDWXPBKES-UHFFFAOYSA-N	320.299	1.646	50	20	DDGD	
C=C(CBr)COC(=O)Cn1cc([N+](=O)[O-])cn1	795424043	WKTHVKZFNXLTPM-UHFFFAOYSA-N	304.100	1.286	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cnn(C)c1)c1ccc(F)c(F)c1	1318763511	IUUIDXXRYTYPQX-MRVPVSSYSA-N	308.288	1.263	50	20	DDGD	
Cn1cc(C=NNC(=O)c2cnccn2)c(-c2cccnc2)n1	1319987992	VQBFDVCHKUAKFN-UHFFFAOYSA-N	307.317	1.036	50	20	DDGD	
CO[C@@H](C)c1nc(CNC(=O)NNC(=O)c2ccc[nH]2)cs1	1319160462	QPZASKDVDDKWSI-QMMMGPOBSA-N	323.378	1.323	50	20	DDGD	
O=C(Cc1cc(Cl)cc(Cl)c1)N1CC[C@@H](B(O)O)C1	585065764	GAVRNHIVJXRKSH-SECBINFHSA-N	301.966	1.611	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCCN2CCC[C@H]2C1	1324824788	ZPFVGCDRJQRGTM-QZFKAFNDSA-N	311.385	1.996	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ocnc2C2CC2)cc1	1324320851	FVODSLDWSZGCJL-UHFFFAOYSA-N	301.302	1.635	50	20	DDGD	
CCC(=O)Nc1cccc(C(=O)NNC(=S)NC(C)C)c1	1321816603	PMMZYOLBBHYHEM-UHFFFAOYSA-N	308.407	1.552	50	20	DDGD	
CCC(CC)(CNC(=O)NNc1nncc(N)c1Cl)OC	1324786958	DJBHTCVOEPDINO-UHFFFAOYSA-N	316.793	1.544	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc(C)nc(C)c1	1336065514	JLASXIXBYLUOHY-UHFFFAOYSA-N	310.423	1.186	50	20	DDGD	
Cn1ccnc1C[C@H]1CCCN(S(=O)(=O)CCCCl)C1	1331909844	ITPDSHCJECAHIB-GFCCVEGCSA-N	319.858	1.633	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)c1cccc2ncccc12	1262607453	ASAJMZJKMWSMSN-UKRRQHHQSA-N	313.357	1.811	50	20	DDGD	
O=C(NNc1cccnn1)c1ccn(CCC(F)(F)F)n1	1346532381	SQIGEFBBTZEMAC-UHFFFAOYSA-N	300.244	1.382	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNC(=O)c1ccccc1Cl	1348443986	ZLWCDRMSYJMFNC-JTQLQIEISA-N	311.769	1.249	50	20	DDGD	
CCC(=O)NC1CCN(C(=O)[C@]2(C)C[C@@H]2Br)CC1	1347346183	SQDZIQTUSCEFDU-GXFFZTMASA-N	317.227	1.677	50	20	DDGD	
CN[C@H](C)CCNC(=O)NNc1cccc(C(=O)OC)c1F	1348560573	GELVXGXRUJMKKR-SECBINFHSA-N	312.345	1.236	50	20	DDGD	
C[C@@H]1CCCN1c1nnnn1C[C@@]1(C)C[C@@H]1Br	1355982600	AXTLAOLBIHMGTC-WCABBAIRSA-N	300.204	1.835	50	20	DDGD	
O=C(Oc1ccc([N+](=O)[O-])c(C(=O)O)c1)c1cnn(CCF)c1	1609026601	RBJGNMLKOZRAFC-UHFFFAOYSA-N	323.236	1.678	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=C1CC(CC(=O)O)C1	1605835721	DCFVQNNOTKOAQG-UHFFFAOYSA-N	304.346	1.985	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccc(OCC(=O)O)cc1	1602987568	SGGWVNZGWVQVAA-BXUZGUMPSA-N	320.345	1.415	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1cnc(C)c(C(=O)O)c1	1607891557	VDSQPVDYUBFXCB-UHFFFAOYSA-N	301.306	1.940	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2cccc(C(=O)O)c2F)cn1	1601091901	GSAPNBVDOCHUKS-UHFFFAOYSA-N	300.249	1.547	50	20	DDGD	
CCCC(=O)N1CCC[C@@H]1C(=O)NNc1ccccc1C(=O)O	1609951033	JKMBKBSNNOGAGX-CYBMUJFWSA-N	319.361	1.619	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1ccc(C(=O)O)c(O)c1	1615572188	RYLYQVLGZCGJGT-YRNVUSSQSA-N	304.302	1.150	50	20	DDGD	
CO[C@H](C=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)C1CCCCC1	1549316204	RURUAQCMWUQXJI-BZUAXINKSA-N	323.437	1.547	50	20	DDGD	
Cn1cc([C@H]2OCCC[C@H]2C=NNC(=O)CC(F)(F)F)cn1	1552447279	QVWAXZHBBQEGLH-CABZTGNLSA-N	318.299	1.942	50	20	DDGD	
COCC[C@H](N)C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	1573977377	COVOKFJRURCSQE-NSHDSACASA-N	316.283	1.384	50	20	DDGD	
NC(=O)CC[C@H](N)C(=O)NN=C(c1ccccc1)c1ccccc1	1574255439	WOBZWMAFTSFREV-HNNXBMFYSA-N	324.384	1.148	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)C(F)(F)Cl)C1	1846480695	MDPCDXNSIOBDFI-LURJTMIESA-N	319.110	1.556	50	20	DDGD	
CC(C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)Br)C1	1846175904	BAJWLXHDMWXWTM-SNVBAGLBSA-N	317.227	1.629	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](C(=O)O)c1ccc2c(c1)CCO2	1596863274	PRVZTIJDIBQJIR-BRADTZPFSA-N	316.313	1.307	50	20	DDGD	
Cc1noc(Cl)c1CCC(=O)NNc1ncccc1C(=O)O	1594501654	HEVSRQZATCNGLB-UHFFFAOYSA-N	324.724	1.806	50	20	DDGD	
COC(OC)[C@@H](C)NC(=O)NNc1cccc(C(=O)O)c1C	1599061382	GCFYERBSFSWHPA-SECBINFHSA-N	311.338	1.327	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)O)CCC1)c1ccc(Cl)cc1F	1594779527	SKEXKAYWKGAVHW-UHFFFAOYSA-N	314.700	1.495	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1cccc(CC(=O)O)c1	1776120858	XLPYKUCDHBIEQT-XNTDXEJSSA-N	316.357	1.763	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=C1CCCc2ncc(C(=O)O)cc21	1776082400	OCJFFHUUPAIGBP-MWLCHTKSSA-N	317.345	1.361	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@@H]1CCCCO1	161374306	HPLWYFUTZSRYIV-AWEZNQCLSA-N	301.346	1.427	50	20	DDGD	
Cc1cccc2c(CCC(=O)NNC(=O)[C@@H]3CCCO3)c[nH]c12	160524484	RVASNPOGUVBRIE-AWEZNQCLSA-N	315.373	1.735	50	20	DDGD	
CN(C)S(=O)(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	151914702	NQAWTWMCPMQLQX-UHFFFAOYSA-N	315.439	1.020	50	20	DDGD	
CC(C)(F)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	155970653	SFVIAIGGTKJGQB-UHFFFAOYSA-N	310.297	1.874	50	20	DDGD	
CC(=O)NNC(=O)COc1ccc(Cl)cc1Br	8555214	CMEFCLLZTGNNEZ-UHFFFAOYSA-N	321.558	1.649	50	20	DDGD	
COCCN(CC(F)F)C(=O)NNC(=O)c1ccccc1	103507948	HGVGTJUYWYVCIK-UHFFFAOYSA-N	301.293	1.255	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)c1cccc(N(C)C)c1)N(C)C	106900913	SDJILKOHFPFSEC-AWEZNQCLSA-N	306.410	1.100	50	20	DDGD	
C[C@@H]1CCC[C@H](CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)C1	56817907	AZCLSEOCSHUMRW-MBNYWOFBSA-N	317.455	1.194	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1ccc(F)cc1F	103060359	CYNMFCXSSKVHMU-UHFFFAOYSA-N	306.334	1.711	50	20	DDGD	
CC(C)Sc1ccccc1C(=O)NNC(=O)c1cnn(C)c1	117680778	QUYMLYOFMMXSQX-UHFFFAOYSA-N	318.402	1.995	50	20	DDGD	
Cc1ocnc1C(=O)NNC(=O)c1cccc(Br)c1	174532801	ZRFHWIZNXRWPJL-UHFFFAOYSA-N	324.134	1.820	50	20	DDGD	
CCC[C@H](C(=O)NNC(=O)c1cnn(C)c1)c1ccccc1	117682121	BMEAVSRYNLTICD-AWEZNQCLSA-N	300.362	1.765	50	20	DDGD	
Cc1cccc(C(=O)N[C@@H](C)C(=O)NNC(=O)CCC(C)C)c1	67190160	FHMCEINZTMDGJW-ZDUSSCGKSA-N	319.405	1.697	50	20	DDGD	
C[S@](=O)CCCNS(=O)(=O)c1ccc(CCl)cc1	306073646	XWEIYQKGMYGUOF-KRWDZBQOSA-N	309.840	1.472	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNc1cccnn1)c1cccnc1	175468151	ZDJBLGTUTOTJQZ-CYBMUJFWSA-N	300.366	1.938	50	20	DDGD	
CCNC(=O)NNC(=O)c1csc(-c2ccc(OC)cc2)n1	68454671	RLBOHLOEBOGQDD-UHFFFAOYSA-N	320.374	1.783	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cn3ccccc3n2)cc1	61465608	DSCVOQQFWSUROB-UHFFFAOYSA-N	305.297	1.281	50	20	DDGD	
CCNC(=O)NNC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1	65623350	BYFLQCOFAZGLDR-UHFFFAOYSA-N	320.393	1.064	50	20	DDGD	
CCN(CC)CCCNC(=O)NNc1ccc(Cl)nn1	125537160	QENBAYISPZPRJE-UHFFFAOYSA-N	300.794	1.488	50	20	DDGD	
Cc1cc(C)c(Br)c(C(=O)NN(C)C(N)=O)c1	128362878	JCCWJTWSFVMNRV-UHFFFAOYSA-N	300.156	1.721	50	20	DDGD	
O=C(CCCNC(=O)c1ccsc1)NNc1ncccn1	123983298	WYZKQVRSOLBYNW-UHFFFAOYSA-N	305.363	1.191	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NNc2ccnc(F)c2)cc(C#N)n1C	182432233	BQKWGLBNTBLSDT-LFYBBSHMSA-N	324.319	1.790	50	20	DDGD	
NC(=O)N1CCC[C@H]1C(=O)NNc1cccc2c1CCCC2	120472214	PXTRUHLILCSSBJ-AWEZNQCLSA-N	302.378	1.552	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)N[C@H]1CCC[C@@H]1CCO	188384529	OSONCBZHDPSKSQ-RISCZKNCSA-N	323.368	1.250	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C1(O)CCCC1	123574583	YIFFPDHOTULJMJ-SNVBAGLBSA-N	310.325	1.046	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)Cc2ccccc2OC)cn1	180910227	YLNPZMFZKVOSCH-UHFFFAOYSA-N	316.361	1.305	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccncc2C)c(O)c1	183448509	MVQVCMNXUDBTHE-UHFFFAOYSA-N	300.318	1.871	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C(C1CC1)C1CC1	122757444	MIXLIMGNJIIWRV-UHFFFAOYSA-N	318.373	1.658	50	20	DDGD	
CC(C)C[C@H]1COCCN1CC(=O)NNC(=O)c1ccccc1	182302666	CYPXXRLSYCHMIX-HNNXBMFYSA-N	319.405	1.195	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1cc(F)c(F)cc1F	185035514	ZXTDGXSXZQRXQJ-UHFFFAOYSA-N	324.262	1.894	50	20	DDGD	
CCc1ccnc(C(=O)NNC(=O)CNc2ccc(C)cc2)c1	182581627	IGGDZPYGMVKLQV-UHFFFAOYSA-N	312.373	1.826	50	20	DDGD	
CCn1c(NNC(=O)Cc2ccoc2)nc2ccccc2c1=O	122748300	GLBKFMMCFSYTDM-UHFFFAOYSA-N	312.329	1.695	50	20	DDGD	
Cc1nnnn1-c1cccc(NC(=O)NNc2ccncc2)c1	183068127	YYKNDLVEUXFTSM-UHFFFAOYSA-N	310.321	1.514	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	130484330	CGISMNHDHIWJKB-CYBMUJFWSA-N	318.402	1.775	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)NCc1ccccn1	73117618	KYTXGFDBOQWYKR-UHFFFAOYSA-N	323.356	1.636	50	20	DDGD	
CC(=O)Nc1ccc(CNC(=O)NNC(=O)OC(C)(C)C)cc1	45437028	JAWSKHOIQUCTOE-UHFFFAOYSA-N	322.365	1.884	50	20	DDGD	
COc1cccc([C@@H](C)C(=O)NNc2nccc(OC)n2)c1	193500120	BYFUUCZEIRMIRV-SNVBAGLBSA-N	302.334	1.741	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	133110040	XAIKIMRLCSWILC-WDEREUQCSA-N	312.341	1.556	50	20	DDGD	
C=CC1CCN(CC(=O)NNC(=O)Cc2ccccc2C)CC1	137330351	RKHLOYVLVGORFR-UHFFFAOYSA-N	315.417	1.583	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)ccc1O)Nc1nccs1	192892490	KVYPBRMREZEJGO-UHFFFAOYSA-N	312.738	1.969	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1nccc2ccccc12	91821903	UEVNCKFIKKNRNT-UHFFFAOYSA-N	320.443	1.707	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCNC(=O)C2)c1C	255722200	YIWBWLIZRPCTPN-DHDCSXOGSA-N	314.389	1.380	50	20	DDGD	
CCC1(CNC(=O)NNc2nc(C)cc(C)n2)CCOCC1	266761084	SXHLAYCWFTUXNI-UHFFFAOYSA-N	307.398	1.926	50	20	DDGD	
C[C@@H](NC(=O)C1CCCC1)C(=O)NNc1ccc([N+](=O)[O-])cc1	269061894	QKEWAEPNPZONOZ-SNVBAGLBSA-N	320.349	1.733	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cncc(-c2ccc3c(c2)CCO3)c1	269252322	AKRWHEXSXBLUKS-UHFFFAOYSA-N	323.352	1.855	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C	268131102	PPLHELNSACVXSD-IUODEOHRSA-N	316.405	1.422	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2	264315430	OWXOMKYQYFDCCJ-SNVBAGLBSA-N	312.391	1.366	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	265709930	ICMLSZKVSMHONQ-SECBINFHSA-N	321.308	1.605	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC12CCOCC2)c1ccc(Cl)nc1	365795185	SOGPQUTVAZCFIW-SNVBAGLBSA-N	309.753	1.313	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)NNC(=O)Nc2ccccc2)C1	367258104	OGOZSUSYTPDGGX-HNNXBMFYSA-N	304.350	1.098	50	20	DDGD	
CCOC(C)(C)CNC(=O)NNC(=O)c1ccccc1OC	275754653	JNSZASTZBUJLPT-UHFFFAOYSA-N	309.366	1.454	50	20	DDGD	
Cc1nc(O)ccc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C(C)(C)C	278047953	ZXQCGVNFKYFKDL-AAEUAGOBSA-N	321.377	1.308	50	20	DDGD	
CN(C)c1cc(F)c(C(=O)NNC(=O)C2CCC2)cc1[N+](=O)[O-]	279411956	KOBRIBFAZZQUQY-UHFFFAOYSA-N	324.312	1.361	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1ccccc1C(C)C	276178574	LWPNGIFMVNMULU-UHFFFAOYSA-N	306.366	1.441	50	20	DDGD	
CCN(CC)[C@H]1CCN(C(=O)NNC(=O)c2cccc(C)n2)C1	279603399	DVFQZENCCLBQOM-ZDUSSCGKSA-N	319.409	1.161	50	20	DDGD	
C#CCOc1ccc(F)cc1NC(=O)NNC(=O)C1CCC1	272621109	URRHTSLGCBEUMA-UHFFFAOYSA-N	305.309	1.791	50	20	DDGD	
COC1(C)CCN(C(=O)NNC(=O)c2cccc(C)n2)CC1	279581842	BQBIEXBGLXNEAS-UHFFFAOYSA-N	306.366	1.245	50	20	DDGD	
COCCOc1cc(C(=O)NNc2ncccc2C)ccn1	276697200	HXMPSIMBPIQINO-UHFFFAOYSA-N	302.334	1.567	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2c3c(nn2C)CCC3)cc1	275671628	HFKIAETZMSLRIC-UHFFFAOYSA-N	313.361	1.299	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccc(F)cc2)CC1)N1CCOCC1	275859208	XIWHPQFAZCMISS-UHFFFAOYSA-N	321.352	1.221	50	20	DDGD	
O=C(CN1CC[C@H](C2CC2)C1)NNC(=O)c1ccccc1Cl	371337414	UWMKYWODXFHNJP-LBPRGKRZSA-N	321.808	1.833	50	20	DDGD	
O=C(C[C@@H]1CCCC[C@H]1O)NNc1ccc(-n2ccnc2)nn1	286495725	DDDYCUWRWUYSCL-NWDGAFQWSA-N	316.365	1.047	50	20	DDGD	
C[C@H](CNC(=O)OC(C)(C)C)C(=O)NNc1ccnc(F)c1	285502707	AZUVUIUTYAYSFN-SECBINFHSA-N	312.345	1.825	50	20	DDGD	
CSSCCNC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O	375904234	UAOAYJAKTRNPJA-RQJHMYQMSA-N	316.370	1.571	50	20	DDGD	
NC(=O)N[C@H](CC(=O)NCC(Cl)Cl)c1cccs1	288860540	KMSKAVHAZWREOL-ZCFIWIBFSA-N	310.206	1.768	50	20	DDGD	
CO[C@H]1CCN(C(=O)NNC(=O)c2ccccc2C)[C@H](C)C1	282224120	FDKIGMNBWRKDIG-OLZOCXBDSA-N	305.378	1.849	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)Nc2ccccc2)cc1	801991021	IFLVSTBOIDVCQY-UHFFFAOYSA-N	313.313	1.940	50	20	DDGD	
CCCCCC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1	298214498	QRRNEGSNPDCUNM-UHFFFAOYSA-N	302.338	1.004	50	20	DDGD	
O=C(CCC(=O)c1cccs1)NNC(=O)[C@@H]1CCCCO1	295307919	FNVQUQZLYIYHQK-NSHDSACASA-N	310.375	1.428	50	20	DDGD	
CC1CC(C(=O)NNC(=O)C(C)(C)O)(c2cccc(Cl)c2)C1	295224043	NNLARLKPEBFBHQ-UHFFFAOYSA-N	324.808	1.926	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=O)c1ccccc1F	299583508	CCXSGOKXNMGGPS-IJLUTSLNSA-N	307.369	1.848	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(C)(C)c1ccc2c(c1)OCO2	293605455	YGLPOOWBDIXSDM-UHFFFAOYSA-N	307.350	1.385	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1ncncc1F)Cc1ccccc1	297623252	BJMMZWHIXJSREF-GFCCVEGCSA-N	319.340	1.500	50	20	DDGD	
C[C@H](CNC(=O)NNc1ccncn1)N(C)c1ccccc1	296221730	AVIPBVZTFXIYNQ-GFCCVEGCSA-N	300.366	1.628	50	20	DDGD	
CCCc1cc(NC(=O)NNC(=O)[C@@H]2CCCCO2)n(C)n1	296914642	NXKVLQIRGTWFIR-NSHDSACASA-N	309.370	1.094	50	20	DDGD	
Cn1ncc2c1CCC[C@@H]2NC(=O)NNc1ncc(F)cc1F	297199152	VXUPGTHXOHLXDI-NSHDSACASA-N	322.319	1.797	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(OC(=O)OCC)cc1	800532557	YWUVXOLNNQIASN-UHFFFAOYSA-N	309.322	1.528	50	20	DDGD	
N#CSCCCNC(=O)c1cc(N2CCOCC2)ccn1	808025635	NPOKUZJRVIHBRP-UHFFFAOYSA-N	306.391	1.252	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C(Cn2cccn2)C(C)C)n1	802708578	WDPYIGUMAZLBRO-UHFFFAOYSA-N	302.382	1.525	50	20	DDGD	
CCCOc1ccc(OCC(=O)NNc2ccncn2)cc1	295479372	NDEQJHOEFMKEOY-UHFFFAOYSA-N	302.334	1.788	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@H](C)n2cccn2)cc1	299156784	NALQBEOQGUCIMS-LBPRGKRZSA-N	316.361	1.233	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)[C@H]1CCCCO1)c1ccc(F)cc1	297244194	OAVQDCYZJWHFNT-BXUZGUMPSA-N	323.368	1.829	50	20	DDGD	
CN(NC(=O)c1cccc(-n2cnnn2)c1)C(=O)OC(C)(C)C	297810105	WTDSIUNWLRAPJK-UHFFFAOYSA-N	318.337	1.174	50	20	DDGD	
Cc1ccc2ncc(C(=O)NNc3ncccc3F)c(=O)n2c1	804217020	OPLFVWDMVOZJAP-UHFFFAOYSA-N	313.292	1.294	50	20	DDGD	
Cc1ccnc2ccc(C(=O)NNC(=O)N=c3cc[nH]cc3)cc12	803393925	CUBDVXXAPRAYLX-UHFFFAOYSA-N	321.340	1.827	50	20	DDGD	
CSSCCNC(=O)N1CCC[C@@H](CNC(C)=O)C1	807229522	ADXMYGAYJPJCSN-NSHDSACASA-N	305.469	1.555	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1cncc(C(F)(F)F)c1	808377532	OQHPQZPAYNAHGM-UHFFFAOYSA-N	310.235	1.570	50	20	DDGD	
Cc1nnsc1C=NNC(=O)COc1ccccc1[N+](=O)[O-]	814214777	ICVDRVDGFVTRLA-UHFFFAOYSA-N	321.318	1.284	50	20	DDGD	
CCc1ccc(C#CC(=O)NNC(=O)Cc2ccncc2)cc1	815746522	LIDAZXAXIWHODA-UHFFFAOYSA-N	307.353	1.386	50	20	DDGD	
C[C@@](O)(C(=O)NNc1nc(-c2ccncc2)no1)C1CCC1	813433947	FQASDSAOIAHITJ-AWEZNQCLSA-N	303.322	1.126	50	20	DDGD	
CC(C)(C#N)[C@H]1CCCC1=NNC(=O)C(=O)Nc1ccccn1	814869041	AXTCWJSISJNOCZ-NSHDSACASA-N	313.361	1.842	50	20	DDGD	
CC(=NNC(=O)CSc1nc(C)cc(C)n1)c1cc[nH]n1	814708283	FOPQCHBUHLIXRG-UHFFFAOYSA-N	304.379	1.449	50	20	DDGD	
O=C(O)CCCNC(=O)NNC(=O)c1ccc2ccccc2c1	819443247	VMOZRNZUVVUJDM-UHFFFAOYSA-N	315.329	1.649	50	20	DDGD	
O=C(NCC(Cl)Cl)[C@@H]1COCCN1CC(F)(F)F	816604392	ITHXYUNISRXDKE-LURJTMIESA-N	309.115	1.169	50	20	DDGD	
O=C(COc1ccccc1O)NN=C1CCc2cc(O)ccc21	814953733	MZSISMPCBMGXDR-UHFFFAOYSA-N	312.325	1.943	50	20	DDGD	
Cc1nc(Br)sc1C(=O)NNC(=O)NC1CC1	823767282	FBIDQULBZZDXBV-UHFFFAOYSA-N	319.184	1.320	50	20	DDGD	
Cc1cc(=NC(=O)NNc2cccc(-c3nn[nH]n3)c2)cc[nH]1	826270050	JDXIGWNMTSMMNK-UHFFFAOYSA-N	310.321	1.141	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)Cc1cc(F)ccc1Br	823946756	OALUCDILYMOAFN-QMMMGPOBSA-N	319.174	1.475	50	20	DDGD	
COC(=O)[C@@H](CC1CC1)NC(=O)/C(C#N)=C/c1ccc(O)cc1	491044435	CBYLKMREHCWAEF-XETPBLJFSA-N	314.341	1.757	50	20	DDGD	
CC(C)(C)OC(=O)NC1CC(=NNC(=O)c2ccnnc2)C1	496540911	WXTQAWDZDZWVIT-UHFFFAOYSA-N	305.338	1.250	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cccc(OC[C@@H]2CCCO2)c1	823976485	DYFQPESEYKWWRA-DOMZBBRYSA-N	308.378	1.202	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCC[C@@H](C)c1ccccc1	825836379	ZKOSYTSXJQYFBW-IPYPFGDCSA-N	319.405	1.936	50	20	DDGD	
COCCN(C)NC(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1	822843309	LICDSQKDCWMKID-NSHDSACASA-N	306.284	1.348	50	20	DDGD	
CO[C@@H]1COC[C@H]1NC(=O)NNc1ccc(Cl)c(F)c1	827924889	LCPULZMBMKRTFV-GHMZBOCLSA-N	303.721	1.519	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)C1SCCS1	826446364	IVEWEBYEGCNRMX-UHFFFAOYSA-N	308.392	1.116	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)/C=C\c2ccc[nH]2)cc1C	491951262	DYDFXNBYQWUFBF-VURMDHGXSA-N	313.357	1.871	50	20	DDGD	
N#C/C(=C\c1cnccn1)C(=O)NCc1ccc(F)c(F)c1	491011410	OVBLAKBMGTVSEV-IZZDOVSWSA-N	300.268	1.978	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1cccc([N+](=O)[O-])c1	494728030	XQMIKZQHJKDMGU-UHFFFAOYSA-N	322.321	1.570	50	20	DDGD	
CCCO[C@H](C(=O)NN(CC)CCO)c1ccc(F)cc1C	823377037	NAILYHOXTPBCJW-HNNXBMFYSA-N	312.385	1.947	50	20	DDGD	
CCc1ncncc1C(=O)NNC(=O)Cn1ccc2ccccc21	729450788	RLLMODOWDXMOON-UHFFFAOYSA-N	323.356	1.455	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=S)NCC1CCC1	729939341	BJMHYQBWJQHSSN-UHFFFAOYSA-N	307.419	1.620	50	20	DDGD	
CSc1ccc(CCC(=O)NNC(=O)C2CCOCC2)cc1	829557515	JQWIILNBRGPWGV-UHFFFAOYSA-N	322.430	1.915	50	20	DDGD	
CC(C)[C@@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C1(CO)CCC1	491161388	OEWBWAGTMYUFAS-KEQVLUGWSA-N	316.405	1.630	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCOCC23CCCC3)cn1	491102991	JYVIVJXCCKLNIT-ZSOIEALJSA-N	300.362	1.499	50	20	DDGD	
CC(C)[C@@H](C)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	824192892	OFLIYCOFWDAAIO-SSDOTTSWSA-N	309.761	1.650	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)O[C@H](C(N)=O)C(C)C)cc1	725914077	QCHIWMUZNGEMQG-BCNIOPEESA-N	302.330	1.655	50	20	DDGD	
C[C@H]1CSCC1=NNC(=O)CCNC(=O)OC(C)(C)C	495612821	NXWBRXNUKPYRKP-VIFPVBQESA-N	301.412	1.756	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@@H](Cc2ccccc2)[C@@H]1C	827962968	AEPQKAOMKWAXPG-HOCLYGCPSA-N	317.433	1.743	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@@H](CO)C2CCCCC2)cn1	491134250	RFWFYZNWECBJKZ-GSHXUFRSSA-N	302.378	1.384	50	20	DDGD	
O=C(/C=C/[C@@H]1CCOC1)NNC(=O)Cc1ccc(Cl)cc1	493321214	MDOUZGYRJYBMCO-MJRJWQSSSA-N	308.765	1.623	50	20	DDGD	
O=C(NCCOc1cccnc1)NNc1ccc(Cl)nn1	734013964	MWWUCSNGPIMFQS-UHFFFAOYSA-N	308.729	1.230	50	20	DDGD	
Cc1oc(C(C)C)nc1-c1nc(-c2ccc(B(O)O)cc2)no1	585053392	FVTFAXPTOSPBBP-UHFFFAOYSA-N	313.122	1.503	50	20	DDGD	
COc1ccc(F)cc1[C@H](C)NCc1ccc(B(O)O)cc1	585016914	DRWXVIDKYJOKOV-NSHDSACASA-N	303.142	1.365	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CC(C(=O)NC)C2)cc1	490877770	MSMAWVZGUGTIRG-JYRVWZFOSA-N	313.357	1.197	50	20	DDGD	
COC(=O)NNC(=O)c1cccc(Nc2ccc(C)nn2)c1	495447801	JDFJLFSQZDGEAK-UHFFFAOYSA-N	301.306	1.529	50	20	DDGD	
COC(=O)[C@H](C)N(C(=O)/C(C#N)=C\c1cnn(C)c1)C1CCC1	490973681	LWVYMOIHVYNDHN-HKMIMPICSA-N	316.361	1.270	50	20	DDGD	
Cn1cc(CCC=NNC(=O)c2ccc3c(c2)OCCO3)cn1	834937159	LAOZXEYCOZFSLW-UHFFFAOYSA-N	314.345	1.540	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@H](C)[C@@H]1CCCN(C(=O)OCC)C1	495487786	QOJLPQHKQIKZOF-OFLZDLGMSA-N	323.393	1.804	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](c1ccccc1)C(OC)OC	491133831	QIWUCNMENWOLOL-FZDNWWAKSA-N	304.346	1.907	50	20	DDGD	
O=C(NC[C@H]1COc2ccccc2C1)NNC(=O)C1CCC1	732240137	NJIFANSABZEIMJ-NSHDSACASA-N	303.362	1.368	50	20	DDGD	
OB(O)c1cccc(CN[C@H](c2ccccn2)C2CCCC2)c1	585026826	KMVSJUZPYJPGKV-SFHVURJKSA-N	310.206	1.783	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)cc1)c1nccs1	732622877	YDRXJVAAXFBUJW-UHFFFAOYSA-N	302.359	1.930	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cnc1Cl	831546297	SVNKHCRFTBAJJM-PSASIEDQSA-N	312.757	1.621	50	20	DDGD	
C[C@@]1(C(=O)NCC2(C(N)=O)CCCC2)C[C@H]1Br	906708337	BHINXDOWACTCQC-LDYMZIIASA-N	303.200	1.322	50	20	DDGD	
NC(=O)CCC(=O)NNc1ccc(OCC(F)(F)F)cc1	907095364	YUQBSWQRNKLCGY-UHFFFAOYSA-N	305.256	1.336	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cnc(NC2CC2)s1	908517786	QEDGVQXGTYHQIU-SECBINFHSA-N	310.379	1.048	50	20	DDGD	
CC(C)[C@@]1(C)C[C@H]1NC(=O)NNC(=O)c1ccc(C#N)cc1	838767217	XDCAFJVDZNLURD-CZUORRHYSA-N	300.362	1.937	50	20	DDGD	
C[C@H]1CC[C@@H](CNC(=O)NNc2ccc3c(=O)[nH]ccc3c2)O1	838738923	BWNYUCRZYNNSQI-GWCFXTLKSA-N	316.361	1.722	50	20	DDGD	
C[C@H]1CC=C(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1	836204204	ZXTZMLJHYJDQIU-NHYWBVRUSA-N	316.357	1.720	50	20	DDGD	
C[C@H]1C[C@H](C)CN(S(=O)(=O)NNC(=O)CC(C)(C)C)C1	739667992	FTLRBKLYCJFKTD-QWRGUYRKSA-N	305.444	1.266	50	20	DDGD	
C[C@@H](NCc1cccc(B(O)O)c1)[C@@H](O)c1ccc(Cl)cc1	585025056	KSNSUYLODKSXRW-BDJLRTHQSA-N	319.597	1.232	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNc1ccc(C(=O)O)cn1	833542836	KTMRNOIATBZZEJ-SECBINFHSA-N	319.292	1.830	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(F)c(F)c1C	839513322	WZCUJELAJWEKFK-SSDOTTSWSA-N	313.304	1.405	50	20	DDGD	
CO[C@@H](CNCc1ccc(B(O)O)cc1)c1ccccc1Cl	585028310	IQFQVPVQSCFGHJ-INIZCTEOSA-N	319.597	1.497	50	20	DDGD	
CC(=NNC(=O)CNc1ccc(C)cc1C)c1cn(C)nn1	834931905	ZKDNYPJUMMVZFQ-UHFFFAOYSA-N	300.366	1.384	50	20	DDGD	
O=C(CNC(=O)C1CC1)NNc1cccc(Cl)c1Cl	838343240	MELNIRYAYMQKEX-UHFFFAOYSA-N	302.161	1.963	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc(N2CCOCC2)c(F)c1	730205862	RCYDVUNCOIXZKM-UHFFFAOYSA-N	309.341	1.079	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)Sc1nnc2ccccn12	734980960	NHLDESFRJLOQNE-SNVBAGLBSA-N	321.406	1.403	50	20	DDGD	
Cn1c(=NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)sc2ccccc21	905842691	DAYHXUHTAOBITQ-AQUOVQTQSA-N	301.371	1.397	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CN2CC[C@H](F)C2)cc1C	830480236	PLXIXZRKLFZYEP-JTQLQIEISA-N	313.398	1.424	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCc3cc(F)c(F)c(F)c32)o1	585044857	WICRDJAXEJGLJU-JTQLQIEISA-N	311.068	1.154	50	20	DDGD	
CC[C@@H]1C[C@H]1CNC(=O)NNC(=O)COc1ccccc1F	836191701	OKSYZNDKECIODC-MNOVXSKESA-N	309.341	1.581	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCC(=NNC(=O)[C@@H]2CCCCO2)C1	834985878	LAGXKDLNIMCNTM-NEPJUHHUSA-N	302.396	1.015	50	20	DDGD	
C[C@H]1CCC(C)(C)N1CC(=O)NNC(=O)c1cccc(C#N)c1	832564606	IAEKAJKXDFXFIZ-LBPRGKRZSA-N	314.389	1.582	50	20	DDGD	
CC(C)Oc1ccccc1C=NNC(=O)[C@@H]1CCS(=O)(=O)C1	730575845	IWRPULYZCCYVEX-CYBMUJFWSA-N	324.402	1.359	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CC2(O)CCCC2)cc1F	837050441	KEEYTQDDCCNXHB-UHFFFAOYSA-N	310.325	1.751	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	912980514	KZFFMTQDWOCVDR-UHFFFAOYSA-N	321.742	1.214	50	20	DDGD	
O=C(NCCN1CCOCC1)NNc1ccc(Cl)cc1F	913843443	FGWCLKIPTJXGFV-UHFFFAOYSA-N	316.764	1.437	50	20	DDGD	
Cc1nc([C@@H]2CCCCN2CC(=O)NNC(=O)C(C)(C)C)no1	744389208	OEDFUFGVDSLSGI-NSHDSACASA-N	323.397	1.099	50	20	DDGD	
Cc1cc(C)c(CNC(=O)NNC(=O)c2ccc(C)o2)cn1	836659513	YKKYUPWYPNRRKF-UHFFFAOYSA-N	302.334	1.744	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1CC12CCOCC2	748852236	PSUVVGGJISUZIQ-NSHDSACASA-N	324.402	1.350	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(Cl)c1	836938571	SOFKDEVSWKRRBO-SECBINFHSA-N	302.783	1.526	50	20	DDGD	
CC(C)CNC(=S)NNC(=O)Cc1cn2ccccc2n1	747664414	WRACYZBMANTTQK-UHFFFAOYSA-N	305.407	1.028	50	20	DDGD	
O=C(NNC(=O)c1cc2c(F)cccc2s1)C(=O)NC1CC1	744463531	JDSKGGXDWKQOQT-UHFFFAOYSA-N	321.333	1.080	50	20	DDGD	
COc1cc(C=NNC(=O)Cn2nc(C)cc2C)cc(OC)c1	916343456	ZHSBQIQOESYRQH-UHFFFAOYSA-N	316.361	1.667	50	20	DDGD	
C[C@@H]1OC(=O)N[C@H]1C(=O)NNc1cccc(Br)c1	841409665	VGSIMTINMORXIM-IMTBSYHQSA-N	314.139	1.389	50	20	DDGD	
CCn1nc(C2CC2)cc1C(=O)NNC(=O)CC(F)(F)F	911420342	ULMBAPTUOVDGNQ-UHFFFAOYSA-N	304.272	1.494	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1ncc(Br)s1	842548659	AXUGTGMQKAJNAW-NKWVEPMBSA-N	318.196	1.781	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1(c2ccc(Cl)cc2)CC1	843648996	RXMBBRFBZGQJJU-GWCFXTLKSA-N	322.792	1.944	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2C[C@](C)(OC)C2(C)C)n1	746770396	CIIRMGHXGNKHNR-BMIGLBTASA-N	323.397	1.623	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H]2Cc3ccccc3O2)n1	748334852	MYVNNZRFWABYEL-LLVKDONJSA-N	304.737	1.885	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cnccc2C)c(C)c1	743293703	IHDMHULUGOGEOG-UHFFFAOYSA-N	312.373	1.880	50	20	DDGD	
COc1cc(C(=O)NN=C(C)[C@H]2CCOC2)cc(OC)c1OC	741757820	VGRHZQOLGWELTB-NSHDSACASA-N	322.361	1.855	50	20	DDGD	
CC(C[C@H]1CCCC(=O)N1)=NNC(=O)CCc1ccccc1O	841622831	BDBWODIYTUVDLB-CQSZACIVSA-N	317.389	1.876	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCCC1=NNC(=O)NC1CCCC1	741459651	FXKKMYSPFOYHRJ-LBPRGKRZSA-N	301.412	1.571	50	20	DDGD	
COc1ccc(C=NNC(=O)N(C)C)cc1OCCCC#N	747357941	XDEIBQXFXIQFLB-UHFFFAOYSA-N	304.350	1.983	50	20	DDGD	
NC(=O)[C@H]1CC[C@H]1C(=O)NNc1cccc(Cl)c1Cl	848220079	MEGARCIZWTTWFP-NKWVEPMBSA-N	302.161	1.948	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)Cn2cccn2)cc1	842471695	TZHUTQHXQBHTPM-UHFFFAOYSA-N	300.362	1.642	50	20	DDGD	
CC[C@@H](C)Oc1cccc(S(=O)(=O)NNC(=O)N(C)C)c1	849307242	MRPRGRBDZMAIGN-SNVBAGLBSA-N	315.395	1.328	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNc2ncc(Br)cn2)CCO1	848322178	SGSDPPLUNYENIT-JGVFFNPUSA-N	315.171	1.497	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@H]2CC[C@H](CN)CC2)o1	841997061	ZNINHUZBYQVXGH-HAQNSBGRSA-N	308.382	1.297	50	20	DDGD	
CO[C@H](C=NNC(=O)Cn1ccc2ccccc21)[C@H]1CCOC1	841624761	WZTXFJTWJONTPB-GOEBONIOSA-N	315.373	1.795	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@@H]1CCSc2ccccc21	742058266	VRVWPGSLIGPGGC-GFCCVEGCSA-N	321.402	1.339	50	20	DDGD	
CC[C@@H](C)c1nc(C)c(CC(=O)NNC(=O)NC(C)C)c(C)n1	847402193	ZOFGAJWVMDSONK-SNVBAGLBSA-N	321.425	1.888	50	20	DDGD	
Cc1cc(=NNC(=O)NCc2ccc3c(c2)C[C@@H](C)O3)cc[nH]1	926467502	AFARTGISFPSUQT-GFCCVEGCSA-N	312.373	1.962	50	20	DDGD	
O=C(NN=C1CCN(Cc2ccccc2)C1)N1CCOCC1	745590963	MMKCNSSGJURVDI-UHFFFAOYSA-N	302.378	1.290	50	20	DDGD	
C[C@H](COCC1CC1)NC(=O)NNC(=O)c1ccccc1O	845574784	CKYRPRTUSJWPAC-SNVBAGLBSA-N	307.350	1.151	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)N[C@H](c1ccccn1)C1CC1	925563689	DLUVKUSVGRZGMC-KGLIPLIRSA-N	318.377	1.432	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1c(Cl)cncc1Cl	923062565	MBDAMZRQYDKWSH-UHFFFAOYSA-N	318.160	1.576	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccc(Cl)c(C(F)(F)F)c2)N1	855018538	UTVLVZGAHJXPAG-MRVPVSSYSA-N	307.659	1.690	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)c1cc(Cl)ccc1O	755676823	CIAJOYMLMPNFGN-QMMMGPOBSA-N	300.742	1.479	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CC23CCOCC3)cc1O	855568155	GODWZNBKSFNRDD-GFCCVEGCSA-N	304.346	1.278	50	20	DDGD	
Cc1ccc(C[C@@H](C)NC(=O)NNC(=O)c2cn[nH]c2)s1	858239960	XFHINXWOEIGONE-MRVPVSSYSA-N	307.379	1.355	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@H]1CCN1Cc1ccccc1	852701454	CCIOICHLMKXLKX-OAHLLOKOSA-N	318.421	1.637	50	20	DDGD	
Cc1cncc(CCC(=O)NNC(=O)OCC(F)(F)F)c1	856019491	WBPPLWGAIMQRIP-UHFFFAOYSA-N	305.256	1.642	50	20	DDGD	
CO[C@H]1COCC[C@@H]1CNC(=O)NNc1ccc(C)c(F)c1	854106628	ZUQUHNKSNKLLOS-RISCZKNCSA-N	311.357	1.812	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)c1cc2c(s1)CCC2)C1CC1	858138288	VTTLRHXFHDWION-CYBMUJFWSA-N	308.403	1.813	50	20	DDGD	
Cn1cc(C(=O)NNc2cc(Cl)nc(N)n2)c(C(F)F)n1	753456947	HROQPSMYGHSYBH-UHFFFAOYSA-N	317.687	1.140	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCc2csc(C)n2)nc1	759721992	SSRMITCPYMHENA-UHFFFAOYSA-N	320.374	1.709	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)COC[C@@H]2CCCO2)c1C	855627018	DTVZHNKNBWPUGX-LBPRGKRZSA-N	322.361	1.420	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2C=CCC2)cc1OC	851936169	WFQMDQAVNWFGKF-NSHDSACASA-N	305.334	1.366	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)Cc1ccc(CN(C)C)cc1	859213559	XIANFHGNVRPPBT-ZDUSSCGKSA-N	320.437	1.126	50	20	DDGD	
CCc1cncc(C(=O)NN(C)C(=S)NCCCOC)c1	854284598	QBUVSCNRCFXUSP-UHFFFAOYSA-N	310.423	1.132	50	20	DDGD	
CN(C)C(=O)NNC(=O)C1CCC(NC(=O)C2CCCC2)CC1	751385913	AIIHXJZOMGTTCT-UHFFFAOYSA-N	324.425	1.154	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CCc2cc(C)on2)c1	929243549	CSGAVLJQTCLCQB-UHFFFAOYSA-N	317.345	1.450	50	20	DDGD	
O=C(NN=C1CCC[C@@H]1CCCF)[C@@H]1CN2CCC[C@@H]2CO1	853390117	LYUWANAUOJVLLJ-NFAWXSAZSA-N	311.401	1.872	50	20	DDGD	
Cc1cnc([C@@H](NCC(=O)NNC(=O)C(C)(C)C)C2CC2)s1	754418851	NKWXRJRAAVMGMV-LBPRGKRZSA-N	324.450	1.686	50	20	DDGD	
CCC[C@@H](O)CC(=O)NNC(=O)COc1cc(C)ccc1C	750050594	FKVZOSUOKFEBCB-CYBMUJFWSA-N	308.378	1.381	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)c2ccccc2O)C[C@@H]1Br	856753913	ZVZYGPDHUHMPSA-QWRGUYRKSA-N	320.208	1.844	50	20	DDGD	
COc1ccc(NNC(=O)c2cnn(C)c2-n2cccc2)cc1	750240019	QDNXZRDMDRZBHN-UHFFFAOYSA-N	311.345	1.976	50	20	DDGD	
Cn1nncc1NNC(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C	857270177	RBWPAPPEARNGBN-SNVBAGLBSA-N	311.386	1.262	50	20	DDGD	
C=CCCNC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	852487486	RQUQVKDHCRDIKQ-UHFFFAOYSA-N	314.386	1.198	50	20	DDGD	
CCc1noc(NC(=O)NC[C@@]2(C)C[C@H]2Br)n1	856868745	QLJLOJJQXYLLCY-LHLIQPBNSA-N	303.160	1.927	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccccc1N1CCN(C)CC1	755530621	HPEBWNMYXRQBIA-UHFFFAOYSA-N	305.382	1.001	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1cn2cc(Cl)ccc2n1	920371917	XOJLTRPCOFVIJD-UHFFFAOYSA-N	319.752	1.060	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@H]1CCCSC1	854285822	QMUVNTJNWCHJCO-JTQLQIEISA-N	305.469	1.004	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)c1ccc(N2CCCC2)nc1	857356637	SETQJHFYLYTASB-UHFFFAOYSA-N	318.768	1.882	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@@H](C)Sc1nncn1C	855366933	JSSORQGYFURGBZ-SECBINFHSA-N	309.370	1.887	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccc(F)cc1)CC1=CCSC1	852747689	TZQHSJWLHRZZJV-UHFFFAOYSA-N	323.393	1.192	50	20	DDGD	
CCOc1cccc2c1OCC(C(=O)NN(C)C(=S)NC)=C2	854926260	YTAOFJWXHZGWCI-UHFFFAOYSA-N	321.402	1.328	50	20	DDGD	
CC(C)(C)N1CCC(=NNC(=O)CNC(=O)c2ccco2)CC1	750936669	GYGKWBJCCNBQDZ-UHFFFAOYSA-N	320.393	1.376	50	20	DDGD	
N#CCc1ccc(C(=O)NNc2nc(-c3cccnc3)no2)cc1	759041083	WXEVZKDQFYVKLN-UHFFFAOYSA-N	320.312	1.955	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1nn[nH]c1-c1ccccc1	755576326	LENJIBXUHQLMJX-UHFFFAOYSA-N	314.393	1.654	50	20	DDGD	
NC[C@H]1OCC[C@@H]1C(=O)NNc1ccccc1C(F)(F)F	852812720	FFWARIYKQSVURN-GZMMTYOYSA-N	303.284	1.512	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2ccccc2O1)OCC(F)(F)F	856025854	CICLIHDDPZCBRL-SNVBAGLBSA-N	318.251	1.700	50	20	DDGD	
C[C@H](C(=O)NNc1cnnn1C)c1cccc(Br)c1	857270615	IVHKFYJNNQEIRM-QMMMGPOBSA-N	324.182	1.824	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1cccnc1N1CCCC1	852473781	GHEQMTLSSXJQGI-UHFFFAOYSA-N	305.382	1.168	50	20	DDGD	
COc1ccc(CNC(=O)NN=c2cc[nH]c(C)c2)cc1OC	863495489	RBRATBGCUITUFC-UHFFFAOYSA-N	316.361	1.655	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)c2cn[nH]c2)cc1OC	863155947	FOFZXXSIVGERKX-UHFFFAOYSA-N	302.334	1.971	50	20	DDGD	
C/C(=C\c1ccccc1Cl)C(=O)NNC(=O)[C@H]1CCC(=O)N1	862457558	LJERTFNLOCYKOT-IDVQTMNDSA-N	321.764	1.169	50	20	DDGD	
Cc1c(NNC(=O)[C@@H](C)[C@H]2CCC(=O)N2)cccc1[N+](=O)[O-]	860325164	CWDRKBIUKWWPRJ-VHSXEESVSA-N	306.322	1.261	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2ccc(OCC3CC3)cc2)N1	863153120	NAFBSRMJZMISKY-CQSZACIVSA-N	301.346	1.204	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H]1c2ccccc2C[C@H]1O	866985792	OEZFEXNWSFLWFU-CHWSQXEVSA-N	317.838	1.829	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC[C@@H]([C@H]2CCNC2)C1	866768294	AMQMVCQLBCYEPQ-QWHCGFSZSA-N	322.902	1.903	50	20	DDGD	
O=C(NNC(=O)c1cccnc1OCC(F)F)c1ccccn1	760223283	JGMHYOFQGTZQAB-UHFFFAOYSA-N	322.271	1.195	50	20	DDGD	
CS(=O)(=O)Cc1cccc(NC(=O)NNc2cnccn2)c1	769987276	YBKKFHGTVIXYSQ-UHFFFAOYSA-N	321.362	1.170	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1cc(C(=O)OC)cs1	864362784	KFMDDLJQKYZYBM-UXBLZVDNSA-N	308.359	1.594	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C	860605705	NEWCIKZSWQZYRH-PUHVVEEASA-N	306.362	1.976	50	20	DDGD	
BrC[C@@H](CN1CCO[C@@H]2COCC[C@@H]21)C1CC1	933968487	LZYYNLLQIAUCBD-RWMBFGLXSA-N	304.228	1.897	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@]2(C)CCc3ccccc32)n[nH]1	869018072	ZAGPWQYXAPFZIR-KRWDZBQOSA-N	312.373	1.312	50	20	DDGD	
CCCC1(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1	760242417	SNYUWKDMHZMRBV-CYBMUJFWSA-N	304.346	1.554	50	20	DDGD	
CN(C)C(=O)CCCC(=O)NNCC(F)(F)C(F)(F)F	863095547	IRLOIZQKHZVELF-UHFFFAOYSA-N	305.247	1.063	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cn(CC)nc2C)n1	863896731	FGGXMFJKRJNMAE-UHFFFAOYSA-N	317.397	1.605	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H](C)c2cccc(F)c2)n[nH]1	869014584	UTOUGPXTARAAAM-SNVBAGLBSA-N	304.325	1.351	50	20	DDGD	
O=C(NNc1cccc(F)c1Cl)[C@H]1CN2CCCN1CC2	862507255	XDZCYBLJPVEUCZ-GFCCVEGCSA-N	312.776	1.312	50	20	DDGD	
C[C@@H](CNC(=O)NNc1cccc(F)n1)CC1(C)OCCO1	868858424	GPZFINXYJFJNJI-SNVBAGLBSA-N	312.345	1.636	50	20	DDGD	
CCNC(=O)NNC(=O)/C(C)=C/c1ccc(Br)o1	865015863	NHXVOOXDALGPSX-VOTSOKGWSA-N	316.155	1.796	50	20	DDGD	
CC1(C)C(=O)Nc2ccc(C(=O)NNC(=O)NC3CC3)cc21	769147877	RYYVFEYVIDNSFP-UHFFFAOYSA-N	302.334	1.023	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)CC(C)(C)c1ccc(F)cc1	864599729	BGGGAADVFNGMRM-UHFFFAOYSA-N	323.368	1.165	50	20	DDGD	
O=C(CCCn1cccn1)NNc1cncc(Br)c1	1116396051	WIIYQQYKGXVMRW-UHFFFAOYSA-N	324.182	1.964	50	20	DDGD	
CN1CCC[C@@H](NC(=O)[C@H](Br)C(C)(C)C)C1=O	768226631	LLRZNPIMLRLIAT-BDAKNGLRSA-N	305.216	1.533	50	20	DDGD	
CCn1ncc(C(=O)NNc2ccc(OC)cn2)c1C1CC1	879657982	VCMJVDFIHMPJJD-UHFFFAOYSA-N	301.350	1.941	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H]1c2c[nH]nc2CC[C@H]1C	878001243	USKYPNHNBVPTEG-ABAIWWIYSA-N	312.373	1.845	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2ccc(Cl)cn2)c1	773662992	YDQYZJHAXFUGIP-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1cc(O)ccc1O	777900851	VHMFVRAUSKRBMA-UHFFFAOYSA-N	323.349	1.463	50	20	DDGD	
Cc1cc(NNC(=O)c2cncc(N3CCCC3)n2)nc(C)n1	878895850	KVANSSOTHMSQTQ-UHFFFAOYSA-N	313.365	1.241	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2cc(C)n(C3CC3)c2C)n[nH]1	1118974734	ZQDDDUWDSFUEOQ-UHFFFAOYSA-N	315.377	1.475	50	20	DDGD	
O=C(NNc1cccnn1)c1ccc2nc(C(F)(F)F)cn2c1	771468321	JHQBIZUYDKCNGY-UHFFFAOYSA-N	322.250	1.900	50	20	DDGD	
Cc1nc[nH]c1C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	873810694	YEIDZXUWJGUPKW-QMMMGPOBSA-N	318.402	1.979	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCCc2cc(SC)ccc21	779823205	LXUSJCAMOPKSII-UHFFFAOYSA-N	321.402	1.921	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@H](NC(=O)NNC(=O)Cc2cccnc2)C1(C)C	775736159	OFWUHIOGFNSUEQ-DDTOSNHZSA-N	320.393	1.014	50	20	DDGD	
C=CC(C)(C)CC(=O)NNc1nccc(N2CCOCC2)n1	879172371	AVSFSSDHOVPNSC-UHFFFAOYSA-N	305.382	1.359	50	20	DDGD	
CC[C@@H](CO)C(=O)NNC(=O)c1c(Cl)cccc1Cl	779765301	SCWFDNZFWCEAAT-ZETCQYMHSA-N	305.161	1.773	50	20	DDGD	
COc1cc(F)cc(OC)c1C=NNC(=O)Cc1cc(C)[nH]n1	872340242	RFUJGKJLRGDEAI-UHFFFAOYSA-N	320.324	1.567	50	20	DDGD	
Cn1cc(C#N)c(NC(=O)NNc2ccc3ccccc3n2)n1	775663414	RKBKHOCBAHRZTB-UHFFFAOYSA-N	307.317	1.989	50	20	DDGD	
O=C(NN=CCCc1ccc2c(c1)OCCO2)N1CCOCC1	774587041	NHKVDGDOIFLDKW-UHFFFAOYSA-N	319.361	1.418	50	20	DDGD	
Cc1cccnc1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	772184756	JDYVGFINKYLOCW-NSHDSACASA-N	307.350	1.129	50	20	DDGD	
Cc1ccccc1[C@H](CO)NC(=O)NNC(=O)c1ccccc1	778592495	LGLKKIQDYGPWRB-HNNXBMFYSA-N	313.357	1.673	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@@H](C)c1ccccc1C	772135636	IDEBCJYJXATXRZ-OLZOCXBDSA-N	320.389	1.978	50	20	DDGD	
C=CCCOCCCCC(=O)NNc1ncnc2[nH]cnc12	776231398	NJTNKHMFZICWAJ-UHFFFAOYSA-N	304.354	1.559	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C(C)(Cl)Cl)cc1OC	776738625	GIASHTOPKXUPCT-UHFFFAOYSA-N	321.160	1.659	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](CC)c1ccc(F)cc1	772359597	UOARVCMEWFSLBF-ZWNOBZJWSA-N	324.352	1.808	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCN(C)[C@@H](C)[C@H]1C	771409076	WDASXGVDAIWSQP-NWDGAFQWSA-N	312.845	1.903	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(C(=O)C(F)(F)F)cc1	880429242	GZUPTWJNVHBPRZ-UHFFFAOYSA-N	319.239	1.231	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)/C=C/c3cccs3)nc21	770970050	XACNIYMSYRQOMG-SNAWJCMRSA-N	316.346	1.287	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc(OCC(F)F)cc1	775660048	MZXQIQHEAUUSEY-UHFFFAOYSA-N	316.308	1.045	50	20	DDGD	
Cc1csc(CCC(=O)NNC(=O)c2ccc(C)c(O)c2)n1	882050386	WFANBKJYBYYKCZ-UHFFFAOYSA-N	319.386	1.859	50	20	DDGD	
Cc1nccc(NC(=O)NNC(=O)c2cc3ccccc3o2)n1	776501238	UJKGPCZNVNJQCK-UHFFFAOYSA-N	311.301	1.998	50	20	DDGD	
CCN(CC)CCC(=O)NN=C(C)c1cncc(C(=O)O)c1	884401083	DRDYXIIYKDBRON-UHFFFAOYSA-N	306.366	1.352	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCCc1ccccc1	772009511	JOVMMXJVVGPVCM-GFCCVEGCSA-N	306.362	1.498	50	20	DDGD	
CC1=NO[C@@](C)(C(=O)NNC(=O)NCc2ccc(Cl)cc2)C1	1120721372	DOUDSUQFWYDCRV-CQSZACIVSA-N	324.768	1.725	50	20	DDGD	
CC(C)[C@@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)c1cnn(C)c1	885419463	HOTZCEJXQCCOQT-KSKAUBAUSA-N	312.377	1.574	50	20	DDGD	
O=C(NNc1ccccc1F)C(=O)Nc1ccnn1C1CCC1	1120861538	GBSFLFPCSPXPRT-UHFFFAOYSA-N	317.324	1.829	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1csc(N2CCCCC2)n1	953064918	MZPBSPQUHRDHCI-UHFFFAOYSA-N	322.369	1.819	50	20	DDGD	
O=C(CCCc1ccc(O)c(F)c1)NNC(=O)c1ccc[nH]1	786705483	RJELVMXITRWHAQ-UHFFFAOYSA-N	305.309	1.643	50	20	DDGD	
O=C(NC[C@@H]1C[C@@H]2CC[C@H](C1)N2)NNc1ccc(Cl)nc1	892599457	TWIRGGPHPIAJCD-JGPRNRPPSA-N	309.801	1.892	50	20	DDGD	
Cc1cc(C=NNC(=O)C(=O)N2CCCC2)cc2cccnc12	783836390	ZYNRUYDUBRPFGX-UHFFFAOYSA-N	310.357	1.616	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cn(C)nc1C1CCCCC1	783815130	CXCIUWJPJRKZSX-UHFFFAOYSA-N	319.409	1.443	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C1CCC12CCCC2	788717825	CLGIROTXKSBTRK-UHFFFAOYSA-N	300.362	1.638	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNc1ncncc1Cl	781835569	DTTQFGNMTRTRCP-MRVPVSSYSA-N	322.800	1.802	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)OCCC2OCCO2)cc(C#N)n1C	781154971	HPDOQUKBAFEXFB-QPEQYQDCSA-N	315.329	1.418	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21	780907158	ICULDGLTUPWSFH-IJLUTSLNSA-N	309.391	1.046	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)[C@@H](O)C1CCCCC1	783621536	IBHYXDUATMJRQB-LBPRGKRZSA-N	317.349	1.516	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2ccc(Cl)nc2)cc1	784871611	RCYWXDZEQAAPMZ-UHFFFAOYSA-N	315.720	1.688	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc(C(C)C)nn2C)n1	794087243	LZDLKSDZJNHVKU-UHFFFAOYSA-N	301.350	1.322	50	20	DDGD	
C=C(CBr)COC(=O)C1CCC(NC(N)=O)CC1	795465371	NDHSAIMHUVSGQG-UHFFFAOYSA-N	319.199	1.708	50	20	DDGD	
CC(C)c1ccccc1NC(=S)NNC(=O)Cn1cncn1	792491030	PTYVKOZGKGHOMR-UHFFFAOYSA-N	318.406	1.419	50	20	DDGD	
C[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)CBr	796114609	MPWWQVBTWSSAIT-UWVGGRQHSA-N	311.245	1.227	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@H](CO)NC(=O)C(C)C	794955557	WGOGGIQRVBMZRW-AWEZNQCLSA-N	321.421	1.695	50	20	DDGD	
N#C/C(=C/c1cnc(N2CCCC2)nc1)C(=O)[C@@H]1CCCOC1	794952591	GLERTPVVLGUXDN-QVTJDRNWSA-N	312.373	1.979	50	20	DDGD	
Cc1cc(CC(=O)NN=C2CC[C@@H](C)C[C@@H]2n2cncn2)n[nH]1	794489778	DABCYTIYYVPNPO-YGRLFVJLSA-N	315.381	1.386	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)c1ccncc1	799430669	HDYWWJGSNKMPNH-IINYFYTJSA-N	313.313	1.071	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CNc2cccc(Cl)c2)n1	794088393	ZTIOPJGXELDJLX-UHFFFAOYSA-N	318.764	1.917	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	791211544	KJNCEDNNKRQNHC-UHFFFAOYSA-N	317.261	1.963	50	20	DDGD	
CCn1cc(C=NNC(=O)c2cncn2-c2ccccc2)cn1	1318414334	QQIJIXWGKYFQHR-UHFFFAOYSA-N	308.345	1.853	50	20	DDGD	
O=C(NC1CC1)[C@H]1CCCN(CCI)C1	1320882999	YMAMUFWCHWEIQS-VIFPVBQESA-N	322.190	1.412	50	20	DDGD	
O=C(Cc1c[nH]c2cnccc12)NNC(=O)c1ccccc1F	1327937972	BCABDXUHGSWPBB-UHFFFAOYSA-N	312.304	1.706	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)c2cn[nH]c2)[C@@H]1c1cccnc1	1329757943	AKYNXYPNAOFCOB-GFCCVEGCSA-N	314.349	1.242	50	20	DDGD	
CCOCc1cccc(NC(=O)C(=O)NNc2cccnn2)c1	1321667204	ACYKEAAIIHOWIL-UHFFFAOYSA-N	315.333	1.095	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)c1cnoc1C1CC1	1322800190	FPDVEPFEOFHPRT-UHFFFAOYSA-N	324.340	1.968	50	20	DDGD	
C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)NNC(=O)c1cn[nH]c1	1331537254	RAGPHDXBCVZZDD-BXUZGUMPSA-N	313.361	1.642	50	20	DDGD	
C[C@]1(C(=O)N2CCC(F)(F)[C@@H](CO)C2)C[C@@H]1Br	1334944809	MZQCKCWYFNGAPZ-WEDXCCLWSA-N	312.154	1.636	50	20	DDGD	
C[C@H](NNC(=O)c1cc(-c2ccn(C)n2)on1)C(F)(F)F	1337297474	ASEOMABIINFJEX-LURJTMIESA-N	303.244	1.260	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)n1)NC1(C(F)(F)F)CC1	1335187409	UVNLTVUTWSYCKZ-UHFFFAOYSA-N	322.674	1.774	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccc(Br)cc1Cl	1339879270	QKJRXZCWJBNIQE-UHFFFAOYSA-N	319.542	1.726	50	20	DDGD	
CC(C)c1nnsc1C(=O)NNC(=O)Cc1ccncc1	1346897275	WSGAPGUAZHIRKA-UHFFFAOYSA-N	305.363	1.060	50	20	DDGD	
CC(=O)NC1CCC(C(=O)NNC(=O)Nc2ccccc2)CC1	1520159574	YVAYDGVWBBVFOA-UHFFFAOYSA-N	318.377	1.534	50	20	DDGD	
Cn1nc(C(=O)NNc2ccc(C(=O)O)cn2)c2ccccc21	1600999033	XNNDIPYTMMXYPL-UHFFFAOYSA-N	311.301	1.423	50	20	DDGD	
NC(=O)C1CCC(NC(=O)NNc2cccc(C(=O)O)c2)CC1	1601142695	OSXGGVHQRGTNHJ-UHFFFAOYSA-N	320.349	1.055	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)C2(C(=O)O)CCC2)cc1	1604090719	DMMISACPBCSEHP-UHFFFAOYSA-N	320.349	1.160	50	20	DDGD	
C[C@H]1CCCN(C(=O)C(=O)NNc2ccccc2C(=O)O)C1	1609852429	LPLNREGIAHKGLE-JTQLQIEISA-N	305.334	1.086	50	20	DDGD	
O=C(NNc1c(F)cccc1Cl)c1cc(-c2nn[nH]n2)c[nH]1	1606853339	CNKXMIRTRJNBQX-UHFFFAOYSA-N	321.703	1.744	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)CC2(O)CCCCC2)cc1	1608780371	GZYSBQVDZPIFGJ-UHFFFAOYSA-N	306.362	1.842	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1ccc(-c2nn[nH]n2)nc1	1609559475	JHYPNTXURBADMH-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
Cc1c(NNC(=O)NCCn2ccnc2)cccc1C(=O)O	1607552079	GETUOLJWRVYYFE-UHFFFAOYSA-N	303.322	1.216	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccc([N+](=O)[O-])s2)nc1	1608904774	IMCBYYPQJLWFLH-UHFFFAOYSA-N	308.275	1.506	50	20	DDGD	
Cn1cc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1C(=O)O	1608115981	FCVXMLKBYWFKAA-WDZFZDKYSA-N	311.297	1.975	50	20	DDGD	
O=C(Oc1ccc([N+](=O)[O-])c(C(=O)O)c1)OC1CCOCC1	1602621576	UGSZIHCDXDDKGV-UHFFFAOYSA-N	311.246	1.987	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=Cc1ccc(C(=O)O)o1	1600730253	LVFQZHGVCNGGGX-UHFFFAOYSA-N	312.285	1.698	50	20	DDGD	
Cc1cc(=NC(=O)NNc2ccc(F)c(C(=O)O)c2)cc[nH]1	1607690864	WRKIATWADMYTLD-UHFFFAOYSA-N	304.281	1.798	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)C1(C)C	1549316036	DQDGBHFHLDQYKC-YRGRVCCFSA-N	309.410	1.157	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@]23[C@H]4C(=O)[C@H]5[C@H]6C[C@@H]([C@@H]52)[C@H]3[C@H]64)c1	1610848506	JEVDKCUZNPBAFW-SUIHOWOCSA-N	324.336	1.155	50	20	DDGD	
C[C@@]1(C(=O)N2CCCC23CN(C(=O)[C@@H](F)Cl)C3)CC1(F)F	1846983825	FOVJKRGVYHPRHB-KCJUWKMLSA-N	324.730	1.770	50	20	DDGD	
O=C(NNC(=O)[C@H]1NCC12CCCC2)c1c[nH]c2ccccc12	1580736559	XMAOGQCYDQIRKC-CQSZACIVSA-N	312.373	1.461	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H](C)C2CCC2)o1	1589774327	YZXAJMCRKKQRGV-QMMMGPOBSA-N	319.369	1.857	50	20	DDGD	
CC[C@H](CNC(=O)NNc1cccc([N+](=O)[O-])c1C)C(=O)O	1589538313	HKEUGKYGZMPYFZ-SECBINFHSA-N	310.310	1.640	50	20	DDGD	
COc1nnccc1NC(=O)NNc1cccc(C(=O)O)c1F	1599738110	HMKAUCCLDCOJRM-UHFFFAOYSA-N	321.268	1.471	50	20	DDGD	
CN(C)c1cc(NC(=O)NNc2ncccc2C(=O)O)ccn1	1593711288	VBAPPTCFPJJDIT-UHFFFAOYSA-N	316.321	1.389	50	20	DDGD	
Cn1nc(C(=O)O)cc1/C=C(/C#N)c1nnc2n1CCCCC2	1594569913	WXFRBUBHCDXPHX-YFHOEESVSA-N	312.333	1.500	50	20	DDGD	
O=C(/C=C\[C@@H]1CCCO1)NNc1ccc(-c2nn[nH]n2)cc1	1592796409	UVLUSWONJRSJMK-KRZKBDHCSA-N	300.322	1.045	50	20	DDGD	
O=C(C[C@H](O)c1cccc(F)c1)NNc1ncccc1C(=O)O	1594675816	IDPVBKQYUAWDAJ-LBPRGKRZSA-N	319.292	1.486	50	20	DDGD	
COCc1nc(C(=O)NNc2ccc(CC(=O)O)cc2)cs1	1599299034	IOUXAXVEEDMOPF-UHFFFAOYSA-N	321.358	1.674	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2ccc3nc(O)[nH]c3c2)cc1	1776101079	PMUFUSXIBDVKDJ-UHFFFAOYSA-N	324.296	1.731	50	20	DDGD	
CCc1cc(C(=O)O)c(C=NNC(=O)c2cnccn2)s1	1776029320	GRIUTRZEGFOPFV-UHFFFAOYSA-N	304.331	1.563	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)Cc1ccccc1F	5823628	DBQONOXATSCUCA-UHFFFAOYSA-N	320.295	1.734	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)C1(O)CCSCC1	162563725	IXPZVEIKXXDPGR-UHFFFAOYSA-N	308.403	1.025	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ncn(-c2ccccc2)n1	160423603	JUPIYIPZLFKEHT-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
CCc1cccc(NC(=O)C(=O)NNC(=O)c2cccnc2)c1	160633402	OUVGEJWULXIQRL-UHFFFAOYSA-N	312.329	1.044	50	20	DDGD	
O=C(COc1ccc2c(c1)CCCC2)NNC(=O)NCC1CC1	165376438	NWZJIWBWTZUMHP-UHFFFAOYSA-N	317.389	1.685	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CN2C[C@H]3CCC[C@H]3C2)c1	152797508	QXRHKUDBSLHWAC-GASCZTMLSA-N	312.373	1.051	50	20	DDGD	
Cc1ccc(C(=O)NNc2nc(C(F)(F)F)cs2)c(=O)[nH]1	152936868	KHRITPLFXSEQMD-UHFFFAOYSA-N	318.280	1.916	50	20	DDGD	
C[C@H](OC[C@H]1CCCCO1)C(=O)NNc1ccc(C#N)cc1	155296564	SSTPIKISEIBCSS-SWLSCSKDSA-N	303.362	1.976	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)c2cc3cccc(F)c3o2)nn1	154283717	PHGOUCJJJPKULU-UHFFFAOYSA-N	315.264	1.218	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@@H]2Cc3ccccc3O2)nc1	156749083	QOAWWVDAETUJSQ-ZDUSSCGKSA-N	314.345	1.720	50	20	DDGD	
CC(C)(C)S(=O)(=O)CC(=O)NNc1ccc(F)c(F)c1F	159435394	WXFGSPHTNZBCON-UHFFFAOYSA-N	324.324	1.760	50	20	DDGD	
CCN(CC)C(=O)CCCC(=O)NNc1ccc(OC)cn1	159240683	WBIKLXGVBJBRDR-UHFFFAOYSA-N	308.382	1.572	50	20	DDGD	
CC[C@H]1CN(S(=O)(=O)c2ccc(CCl)cc2)C[C@H]1O	399926008	WFHMHOGGZCQIBY-WCQYABFASA-N	303.811	1.817	50	20	DDGD	
CCOc1ccc(OCC(=O)NNC(=O)c2ccccn2)cc1	8198049	UXTVRAHOTGIQTK-UHFFFAOYSA-N	315.329	1.320	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CCOCC(C)C	55355194	UTFDWWTZDQDIJB-UHFFFAOYSA-N	308.378	1.448	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N(C)CC2CCN(C)CC2)s1	103514245	ISEWSAJTNPDDQL-UHFFFAOYSA-N	324.450	1.685	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCC2CCN(C)CC2)s1	103320839	HCBUCMJFIGWULM-UHFFFAOYSA-N	324.450	1.732	50	20	DDGD	
CC[C@H](C(=O)NNC(C)=O)n1nnc(-c2ccc(Cl)cc2)n1	173292101	JJPHCOVLIQYVRX-LLVKDONJSA-N	322.756	1.112	50	20	DDGD	
CCC1(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CCC1	176601660	HZZUMVYKQMSMIZ-UHFFFAOYSA-N	304.346	1.799	50	20	DDGD	
CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)NNc1cccnn1	172500147	JGKDNQYCRKSAOV-DGCLKSJQSA-N	307.398	1.944	50	20	DDGD	
COC(=O)[C@H](C)NS(=O)(=O)c1ccc(CCCCl)cc1	104101755	TXOCFFGODCNCMS-JTQLQIEISA-N	319.810	1.698	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1ccncc1)c1ccc(F)cc1	171268593	RVGLPIKMMIYBJN-UHFFFAOYSA-N	301.321	1.960	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CCOC3(CCC3)C2)cc(C#N)n1C	179429283	MFGDBGLZTDAKQW-OVCLIPMQSA-N	324.384	1.894	50	20	DDGD	
CCCCCOc1ccc(S(=O)(=O)NNC(=O)OC)cc1	63147320	BHMQFFAOCSEFFA-UHFFFAOYSA-N	316.379	1.805	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cc(C2CC2)[nH]n1	67439898	QMYJHUVWMIQKLR-UHFFFAOYSA-N	300.318	1.371	50	20	DDGD	
CN(C)[C@@H](C(=O)NNc1ccc(Cl)nn1)c1ccccc1	118500114	FPTJXLYAMKSLEO-CYBMUJFWSA-N	305.769	1.876	50	20	DDGD	
COc1cccc([C@@H](CNS(=O)(=O)CCl)N(C)C)c1	111000277	MRXPNASZMOIISE-GFCCVEGCSA-N	306.815	1.414	50	20	DDGD	
COc1ccc(CCCC(=O)NNC(=O)Cc2cc[nH]n2)cc1	186143688	RONZKLFOOFHARP-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)c1cc(Cl)ccc1O	129296217	FYEDERHEBOIFFW-UHFFFAOYSA-N	300.742	1.479	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CCCn1c(=O)oc2ccccc21	21972386	BUWOCNWLWCDALK-UHFFFAOYSA-N	319.361	1.568	50	20	DDGD	
Cc1cnc([C@@H](C)NC(=O)NNC(=O)Cc2cccnc2)s1	176480206	NSMRCMSFKXMVSO-SNVBAGLBSA-N	319.390	1.481	50	20	DDGD	
Cc1cc(C)c(NC(=O)C(=O)NNc2ccc(C)nn2)c(C)c1	123646503	NMHGRBWLSARCQN-UHFFFAOYSA-N	313.361	1.792	50	20	DDGD	
CC(C)(C)OC1CCN(S(=O)(=O)CBr)CC1	782471552	KRGRKMQNCRAKNT-UHFFFAOYSA-N	314.245	1.948	50	20	DDGD	
CCn1nc(C(=O)NNC(=O)C(C)(C)C)c2ccccc2c1=O	36668264	JDRVBUVXIAQDTE-UHFFFAOYSA-N	316.361	1.224	50	20	DDGD	
COc1ccccc1C(=O)C(=O)NNc1ccccc1[N+](=O)[O-]	183525640	JNUAAMZGHIIGST-UHFFFAOYSA-N	315.285	1.929	50	20	DDGD	
CC(C)c1cccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)c1	180966536	PAWDFSHIDDUDGE-UHFFFAOYSA-N	305.378	1.942	50	20	DDGD	
Cc1cnccc1NC(=O)NNC(=O)c1c(C)nc2ccccn12	183445867	KOABRUIXYJHSOL-UHFFFAOYSA-N	324.344	1.813	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNc1nc2ccccc2c(=O)n1CC	120606987	JRIOYHZFNHKDAP-MRXNPFEDSA-N	318.377	1.411	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)c2ccc3ccccc3n2)cn1	74685572	SYSXPWDRZICZMN-UHFFFAOYSA-N	309.329	1.526	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc(N(C)C)c2)n1C	32208439	SZIDMGIZGNMBIW-UHFFFAOYSA-N	300.362	1.474	50	20	DDGD	
Cc1ccnc(NC(=O)NNC(=O)c2cccc(N(C)C)c2)c1	184258335	SZCAXACRBMOFSA-UHFFFAOYSA-N	313.361	1.923	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1ccc(OCC#N)cc1	75976474	BQMHUJKHASUAMT-UHFFFAOYSA-N	304.350	1.465	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc3ncsc3c2)[nH]n1	183830958	LTEFJTXNZCNWMW-UHFFFAOYSA-N	316.346	1.794	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccn(C)n2)c1OC	134500668	IEFSUQOGXLPICO-XFXZXTDPSA-N	312.329	1.983	50	20	DDGD	
CNC(=O)NNC(=O)c1cncc(-c2ccc(OC)cc2)c1	133276228	UWVHJJGJALWOJW-UHFFFAOYSA-N	300.318	1.331	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccc(Cl)cc1)c1nncn1C	46964561	VNDNEMVKAIKGBV-QMMMGPOBSA-N	322.756	1.174	50	20	DDGD	
CCCCCCOc1ccc(C(=O)NNC(=O)[C@H](C)O)cc1	136274968	PAUWQCUUVVFHGE-LBPRGKRZSA-N	308.378	1.788	50	20	DDGD	
CN(CCOCCO)S(=O)(=O)c1ccc(CCl)cc1	381666410	OURKNBCVOHOMON-UHFFFAOYSA-N	307.799	1.055	50	20	DDGD	
CC(C)c1nnc(CCC(=O)NNC(=O)c2ccccc2O)o1	80063599	IWLKCEOZIXWELE-UHFFFAOYSA-N	318.333	1.292	50	20	DDGD	
O=C(CCn1cnc2ccccc21)NNc1nc2ccccn2n1	191907884	NDCMHVPQGWYKCL-UHFFFAOYSA-N	321.344	1.612	50	20	DDGD	
COc1cc(C(=O)NNC(C)=O)cc(OC)c1OC(F)F	266552241	ILTKVDHEYAEDAQ-UHFFFAOYSA-N	304.249	1.086	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)CCCC(C)=O)cc1OC	269201055	YRZXPKILCCYHTJ-UHFFFAOYSA-N	322.361	1.614	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)CNc2ccc(C)cc2C)O1	268227271	KFRHOCGOWTUJLM-UKRRQHHQSA-N	319.405	1.820	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)CNc2ccccc2)on1	265071479	ZFGMFJIAILUENB-UHFFFAOYSA-N	302.334	1.671	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1nc(-c2ccncc2)no1	263928414	BRDLDQOZMGTJTR-JTQLQIEISA-N	321.337	1.016	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NNc1cnccn1	266933889	NJESYVCQLZCSQP-SNVBAGLBSA-N	307.354	1.319	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CCn2ccnc2)cc1	263654934	HAQOHFXTGBTUMR-UHFFFAOYSA-N	316.361	1.062	50	20	DDGD	
CCc1cccc(S(=O)(=O)NNC(=O)NC2CCCC2)c1	267506948	ODMOLQVASKBYRE-UHFFFAOYSA-N	311.407	1.684	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@@H](C)CCO)cc(C#N)n1C	269566831	HBPFBKHJYKMGGW-REPOHMLUSA-N	300.362	1.247	50	20	DDGD	
CCS(=O)(=O)Nc1ccccc1C(=O)N1CC=C(C#N)CC1	273839103	LZQFWWLEJAYYTD-UHFFFAOYSA-N	319.386	1.744	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)c1C#N	274243307	SGRFFOOVNMCIDE-UHFFFAOYSA-N	318.333	1.361	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1ccc(C(C)(C)O)cc1	274727877	AWWRIZSJTQMXDW-UHFFFAOYSA-N	307.394	1.791	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2CCCc3nn(C)cc32)n1	366965266	CGNDECOCFLJMJN-LLVKDONJSA-N	300.366	1.390	50	20	DDGD	
COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NNC(=O)N(C)C)c1	276277011	OMVRIZKMLKRPGK-JQWIXIFHSA-N	307.350	1.110	50	20	DDGD	
CS[C@H](C)CC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	270521548	TXPXGFAKRISMML-LLVKDONJSA-N	323.418	1.531	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H]2CCO[C@@H](C(C)C)C2)n1	271552484	QVHGTZWSZNZKNR-NWDGAFQWSA-N	323.397	1.623	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H]1CCN(c2ccccc2F)C1	368312686	OZNVLLQXJDHFLR-RSKUSDAESA-N	303.337	1.965	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@H](NC(=O)NNc2nc3ccccn3n2)C1(C)C	276899975	NQXQLMYADKAODN-ZMLRMANQSA-N	318.381	1.415	50	20	DDGD	
CS[C@@H](C)CC(=O)NNC(=O)c1ccc2c(c1)OCCO2	270108810	GUOGHZYZRJNUNL-VIFPVBQESA-N	310.375	1.360	50	20	DDGD	
C[C@H](CO)CCCNC(=O)NNC(=O)Cc1ccccc1F	270483990	ISEWXSNHDMOZBS-NSHDSACASA-N	311.357	1.107	50	20	DDGD	
Cn1ccc2cccc(NC(=O)C(=O)NNC(=O)CC3CC3)c21	276272396	GSXTYSMZABGUTI-UHFFFAOYSA-N	314.345	1.064	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)OC(C)(C)C)cc1C(N)=O	272633292	XGAHQTZWDWPFMW-UHFFFAOYSA-N	308.338	1.655	50	20	DDGD	
Cc1cccc(F)c1NC(=O)C(=O)NNC(=O)CC(C)(C)C	274049433	IHCXWCYEYFFOFQ-UHFFFAOYSA-N	309.341	1.656	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2C[C@]23CCOC3)c([N+](=O)[O-])c1	372052784	HOFRKQPPDUCMKB-YGRLFVJLSA-N	307.306	1.473	50	20	DDGD	
CCCN(CC)CC(=O)NNC(=O)c1ccc(OC)c(OC)c1	270265676	VZTIMRRMALXSNF-UHFFFAOYSA-N	323.393	1.197	50	20	DDGD	
Cn1nc(NC(=O)NNC(=O)c2ccc(C#N)cc2)cc1C1CC1	289975359	XSOYNLJEZXTZAX-UHFFFAOYSA-N	324.344	1.636	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc([C@@H]2CCCOC2)nn1C	280142576	MKEHIAONWAZSNE-SNVBAGLBSA-N	324.385	1.012	50	20	DDGD	
Cn1cc([C@H]2OCC[C@@H]2C(=O)NNc2cccc(F)n2)cn1	286377560	FOXIEAGEYABTRI-GXFFZTMASA-N	305.313	1.175	50	20	DDGD	
Cc1c(C(F)(F)F)nn(C)c1NC(=O)NNc1ncccn1	287543866	LNRNHAHSVOQHGP-UHFFFAOYSA-N	315.259	1.686	50	20	DDGD	
Cc1noc([C@@H]2CCCN2S(=O)(=O)CBr)n1	285510763	QXELWDHALBTXME-ZETCQYMHSA-N	310.173	1.197	50	20	DDGD	
CCc1occc1C(=O)NNc1nccc(N2CCOCC2)n1	281670960	YSTMOGNUWCASIO-UHFFFAOYSA-N	317.349	1.226	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cccc(NC(=O)NC(C)C)c1	286540971	YSGQPWSUFGHDKA-UHFFFAOYSA-N	308.338	1.560	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H]1CCc2cc(C)ccc2O1	280588382	MZSSVCRGQKDSLE-AWEZNQCLSA-N	321.377	1.056	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CC2=CCCCC2)cc1	282814678	NRXWLGXEUGVIQN-UHFFFAOYSA-N	315.373	1.971	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H]2C[C@@H]2Cc2ccccc2)n1	280793966	GTADWKUDFRQMRX-HOCLYGCPSA-N	324.384	1.965	50	20	DDGD	
CC(=O)NNC(=O)c1cccnc1SCc1c(C)noc1C	299008394	BOYQKJJJMSGNAA-UHFFFAOYSA-N	320.374	1.760	50	20	DDGD	
C=CCC(C)(C)C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1	295302122	XVBXYWMZDJNUOK-BETUJISGSA-N	311.426	1.235	50	20	DDGD	
CC(C)ONC(=O)NNC(=O)c1ccc(Br)s1	297369096	FIQPFJSZIHUJRY-UHFFFAOYSA-N	322.184	1.795	50	20	DDGD	
CNc1nc(C)cc(C(=O)NNC(=O)CCc2ccccc2)n1	806725776	UNJAPQWBTADOBT-UHFFFAOYSA-N	313.361	1.221	50	20	DDGD	
O=C(C[C@H]1Oc2ccccc2NC1=O)NNc1cccc(F)n1	804771968	VYRWFOJHLCJYDZ-LLVKDONJSA-N	316.292	1.454	50	20	DDGD	
COCCN(C)NC(=O)COc1ccc(Br)cc1	808074664	HYYBVXYFYJOFJH-UHFFFAOYSA-N	317.183	1.437	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cc(Cl)ccc1F	802024826	LMXSFKGGECMWTJ-UHFFFAOYSA-N	308.700	1.763	50	20	DDGD	
Cc1cc(NC(=O)NNc2ccc(-n3ccnc3)nn2)sn1	806327609	NCBXHDPNSISBQS-UHFFFAOYSA-N	316.350	1.576	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2c[nH]nc2C(C)(C)C)nc1	293311949	FCQLWTHNZRDJFV-UHFFFAOYSA-N	317.349	1.646	50	20	DDGD	
C=C(C)CN1CCC(NC(=O)NNc2ncncc2F)CC1	292608978	HVXIPOYHIPJPOP-UHFFFAOYSA-N	308.361	1.282	50	20	DDGD	
CO[C@H]1CCN(C(=O)NNC(=O)c2ccccc2)CC1(C)C	297357465	DQBGQOWBUHGVPV-ZDUSSCGKSA-N	305.378	1.788	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCC(F)(F)C1	800284023	YOCJRCPHBBOADF-RKDXNWHRSA-N	306.309	1.301	50	20	DDGD	
COC(=O)N(C)NC(=O)CCCC(=O)c1cccc(OC)c1	293748077	WNVQAGZJFOGJKF-UHFFFAOYSA-N	308.334	1.778	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(F)c(F)c(O)c1F	295726857	LTRZQLUAIUFHPY-QMMMGPOBSA-N	318.251	1.140	50	20	DDGD	
CCCOc1cccc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	294435540	ZOJNPEBJDDZNQM-FZMZJTMJSA-N	306.362	1.804	50	20	DDGD	
O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)NNc1ccncn1	296834240	KHHCCKWMQLYIAS-ZFWWWQNUSA-N	313.361	1.881	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)COc1cc(C)ccc1C)OC	291427542	JIIXYWUGFNHTAG-ZDUSSCGKSA-N	323.393	1.438	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc(OCC(F)(F)F)cn1	294064553	GRDSGBYMNNHYNZ-UHFFFAOYSA-N	317.267	1.584	50	20	DDGD	
Cc1ccnc(C)c1NC(=O)NNc1cc(Cl)nc(N)n1	806536048	FZPSKBWNMAMQAN-UHFFFAOYSA-N	307.745	1.873	50	20	DDGD	
CCSc1ccccc1C(=O)NNC(=O)N1CCN(C)CC1	807382266	DUQPNSUEANRKES-UHFFFAOYSA-N	322.434	1.400	50	20	DDGD	
O=C(C[C@@H]1OC(=O)c2ccccc21)NNc1cccc(F)n1	804772087	ACWBSDTZCCARLQ-NSHDSACASA-N	301.277	1.966	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2nc3cccnc3s2)cc1	801144854	ZFPBKBLOZTZBBO-UHFFFAOYSA-N	323.337	1.638	50	20	DDGD	
COc1cc(C=NNC(=O)Cc2cc[nH]n2)ccc1[N+](=O)[O-]	814954592	KWUSCAQASIRWNH-UHFFFAOYSA-N	303.278	1.019	50	20	DDGD	
COCCN1[C@H]2CC[C@H]1CC(=NNC(=O)c1ccccn1)C2	814683998	ZKOWJYWXARCKPB-KBPBESRZSA-N	302.378	1.441	50	20	DDGD	
COc1ccccc1C(=O)NN=C1CCN(CC(C)(C)O)CC1	814221710	KHDDDQDHSNMJJO-UHFFFAOYSA-N	319.405	1.648	50	20	DDGD	
COc1ccc(C#N)cc1NC(=O)NNc1ncncc1F	814625442	JBEYKWDRWXFENI-UHFFFAOYSA-N	302.269	1.645	50	20	DDGD	
Cn1ccc(C=NNC(=O)c2cccc(Br)c2)n1	814857468	LVNOJUOMZSRUNY-UHFFFAOYSA-N	307.151	1.947	50	20	DDGD	
O=C(CSc1nccc2ccccc12)NNc1nc[nH]n1	816633438	BSQOXZWCDXOSMS-UHFFFAOYSA-N	300.347	1.588	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NNC(=S)NCCc1cccs1	819428009	ZNNMXIJBUQRMOR-MDZDMXLPSA-N	324.431	1.230	50	20	DDGD	
CO[C@H]1CCC[C@H](C(=O)NNc2nc(-c3cccnc3)no2)C1	815546615	QYVQHIXZVWXCAR-JQWIXIFHSA-N	317.349	1.780	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnc2c(F)ccc(F)c2c1	816006947	SBMQNKOFDPWQHL-UHFFFAOYSA-N	308.288	1.819	50	20	DDGD	
CCCC(=NNC(=O)CNC(=O)c1ccco1)c1ccccn1	814826722	FNTLJXXPNVASST-UHFFFAOYSA-N	314.345	1.725	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H](C)CN(C)C(C)C)n1	811930675	ABLBGPOCMOCMEX-NSHDSACASA-N	310.402	1.148	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc3cccnc23)CO1	825821171	KHXFOBHOZSTWJB-CMPLNLGQSA-N	314.345	1.356	50	20	DDGD	
Cc1noc2nc(C3CC3)cc(C(=O)NN(C)C[C@@H](C)O)c12	821218113	UULKKMJVOMCUFN-MRVPVSSYSA-N	304.350	1.366	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)CCOc1ccccc1	827314875	KFZMYSBTTOFZND-OCCSQVGLSA-N	321.377	1.163	50	20	DDGD	
O=C(CC1CCCC1)NCC(=O)NNC(=O)CC1CCCC1	725897408	ANEJVGHPBZUMLZ-UHFFFAOYSA-N	309.410	1.411	50	20	DDGD	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CC[C@@H](B(O)O)C1	585069165	LXWMSMAWBCZLBI-TUVASFSCSA-N	311.231	1.539	50	20	DDGD	
CCC[C@@](C)(CC)C(=O)NNC(=O)CNC(=O)OC(C)(C)C	492151983	XFMKEOGJBHUGJU-OAHLLOKOSA-N	315.414	1.875	50	20	DDGD	
COC[C@@H](NCc1cccc(B(O)O)c1)c1ccc(F)c(F)c1	585035910	ZQATUGRKYQTVFP-MRXNPFEDSA-N	321.132	1.122	50	20	DDGD	
CCOC(=O)NNC(=O)c1[nH]c(-c2cccc(OC)c2)nc1C	494059499	TWJYNXKYQFRTFH-UHFFFAOYSA-N	318.333	1.785	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	820630971	SOMLKDFOJXCCNS-RYUDHWBXSA-N	321.352	1.725	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)[C@H](C)CN1CCCCCC1	732528208	FYYDILCWZOLXKH-GFCCVEGCSA-N	317.455	1.035	50	20	DDGD	
O=S(=O)(CBr)N1CCC[C@H]1c1ncccn1	907331261	FWPKJWGRGMAIOJ-QMMMGPOBSA-N	306.185	1.296	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cccc(NC(=O)O)c2)c1	739131767	FJKYRTQUNCEJIF-UHFFFAOYSA-N	324.296	1.723	50	20	DDGD	
CN(CCN(C)c1ccccc1)C(=O)/C(C#N)=C/c1cnn(C)c1	491162182	QXROADDBOHTZQR-LFIBNONCSA-N	323.400	1.922	50	20	DDGD	
Cc1nn(C)cc1CC(=O)NNc1ccnc(Br)c1	828729225	GIRMMLQAUBQPJA-UHFFFAOYSA-N	324.182	1.572	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C1(S(=O)(=O)c2ccccc2)CC1	731341558	IBLVKENIRMTQNZ-UHFFFAOYSA-N	324.402	1.186	50	20	DDGD	
Cc1cccnc1[C@H](NC(=O)c1cccc(B(O)O)c1)C(C)C	584947601	VYEHNIAGFDPBEU-OAHLLOKOSA-N	312.178	1.197	50	20	DDGD	
Cc1nc(C)n(C2CN(C(=O)[C@]3(C)C[C@H]3Br)C2)n1	907991428	GPBKWRONYIJXSB-ZYHUDNBSSA-N	313.199	1.452	50	20	DDGD	
CN(C)CC(=O)NN=C1CCN(C(=O)OCc2ccccc2)C1	496526992	NCPWEWAFKHGNGY-UHFFFAOYSA-N	318.377	1.063	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)CCc2ccccc2O)CCCCO1	839664510	YFYVQKQNKOJTPI-INIZCTEOSA-N	306.362	1.431	50	20	DDGD	
CC(C)OC1(CNCc2cccc(B(O)O)c2)CCCCC1	585029119	VMWFZIZKVCZQGM-UHFFFAOYSA-N	305.227	1.584	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)COCc2ccccc2)CCO1	738496875	BWOVKNBDVSGWLG-UHFFFAOYSA-N	321.377	1.055	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N(C)C[C@H](C)C(=O)O)cc(C#N)n1C	738289393	PRKYWMKGJRWMEB-JHXMEDKLSA-N	314.345	1.291	50	20	DDGD	
C[C@]1(C(=O)N2CCC[C@@H](CNC(N)=O)C2)C[C@H]1Br	906233200	ZQEZQISSCDZYPS-SBMIAAHKSA-N	318.215	1.067	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@@H]1CCC[C@H]1c1ccccc1	584911421	HVPLOFMYSMZXPQ-DLBZAZTESA-N	309.174	1.889	50	20	DDGD	
COc1ccc(O)c(C=NNC(=O)c2ccnc(N(C)C)c2)c1	731562253	SKNFNNGFMLJNQW-UHFFFAOYSA-N	314.345	1.626	50	20	DDGD	
C=COc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	831860221	MGPCGORLLWEISW-MFKMUULPSA-N	305.334	1.787	50	20	DDGD	
CCC(C)(C)OCCNC(=O)NNC(=O)[C@@H]1CCCCO1	836690667	FEYJRLWTNAEWQY-NSHDSACASA-N	301.387	1.091	50	20	DDGD	
COCCCOCCN(C)C(=O)[C@]1(C)C[C@H]1Br	907215058	KHUCVISUGVTNHO-ZYHUDNBSSA-N	308.216	1.671	50	20	DDGD	
CSC[C@@H](C)C(=O)NNc1ccccc1S(C)(=O)=O	732303508	AMTNDPSQECDJSW-SECBINFHSA-N	302.421	1.532	50	20	DDGD	
O=C(NN=Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1	730577631	KQBKOLWHWNCUMP-SNVBAGLBSA-N	300.767	1.225	50	20	DDGD	
CCOc1cc(CNCc2ccc(B(O)O)cc2)ccc1OC	585023042	FTBITZXXOJHPRN-UHFFFAOYSA-N	315.178	1.064	50	20	DDGD	
CCCN1C[C@H](C(=O)NNc2cccc([N+](=O)[O-])c2C)CC1=O	839707559	BGWISZFJCIMHPP-LLVKDONJSA-N	320.349	1.605	50	20	DDGD	
O=C(NC[C@H]1CCS(=O)(=O)C1)NNc1cc(F)ccc1F	914009034	XJOAIZKCTMQKHL-MRVPVSSYSA-N	319.333	1.026	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1)c1ccccc1F	833149079	DFQXFTIOVGILHN-NXEZZACHSA-N	308.309	1.478	50	20	DDGD	
O=S(=O)(CCl)NC[C@](O)(c1ccccc1)C(F)(F)F	830618731	JGKYVMZNEUZXOD-VIFPVBQESA-N	317.716	1.552	50	20	DDGD	
CC(C)(CCC(=O)NNc1nc[nH]n1)NC(=O)OC(C)(C)C	839770615	XGYBSISORWNLLY-UHFFFAOYSA-N	312.374	1.331	50	20	DDGD	
CC(C)Oc1cccc(C(=O)NNC(=O)[C@H]2CCCCO2)n1	833246311	HKNFWXUCHZQKAZ-GFCCVEGCSA-N	307.350	1.199	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)c1	913821884	LPIVWBLTEFYHOB-BZHVJNSISA-N	321.377	1.677	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2C[C@H](CO)Cc3ccccc32)cn1	833142999	ZKSXRCGIQVFREN-PXWILEGGSA-N	322.368	1.525	50	20	DDGD	
O=C(NNc1ccc(F)cc1)c1ccc(-c2nc(=O)o[nH]2)cc1	749187792	DPEHKNDUXQHWMY-UHFFFAOYSA-N	314.276	1.926	50	20	DDGD	
CC/C=C\CNC(=O)NNC(=O)COc1ccccc1[N+](=O)[O-]	838658847	LUSYWJULRCGQBI-UTCJRWHESA-N	322.321	1.270	50	20	DDGD	
C=COc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	831860219	MGPCGORLLWEISW-GWCFXTLKSA-N	305.334	1.787	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=Cc1c[nH]c2ccccc12	743445800	IFVBEPCJXLQAOZ-UHFFFAOYSA-N	311.301	1.062	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)NCCn1cccn1	840297823	DSNVZWNJKBGWGV-UHFFFAOYSA-N	323.788	1.776	50	20	DDGD	
Cc1cc(C)c(C#N)c(SCC(=O)NNC(=O)C(C)(C)C)n1	742444659	CKOBXNYLFRJQPJ-UHFFFAOYSA-N	320.418	1.856	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccccc1OC(F)F	843650168	ZLVPJFIBBWGQLK-RKDXNWHRSA-N	314.288	1.474	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C[C@@H](C)CC(=O)OC)cc1	846657876	HFYHYVXWFQLWFH-LLVKDONJSA-N	322.361	1.435	50	20	DDGD	
CCn1cccc(NC(=O)NNc2nccnc2C(C)C)c1=O	841732926	PVJYXHMZRYLUFF-UHFFFAOYSA-N	316.365	1.930	50	20	DDGD	
O=C(NCCOC[C@@H]1CCOC1)NNc1ccc(F)c(F)c1	917802311	RUCUVMXNUPLTJC-SNVBAGLBSA-N	315.320	1.644	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccc(Cl)cc2)ccc1=O	749270997	LNAVFQUVTPORIX-UHFFFAOYSA-N	321.764	1.905	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ncoc1C(F)(F)F	847115734	LMPQMEHQPFPUGZ-UHFFFAOYSA-N	320.149	1.200	50	20	DDGD	
Cc1nnc(NNC(=O)c2ccc(OC3CCC3)cc2)nc1O	743295613	OKRZGVQWXBQFGW-UHFFFAOYSA-N	315.333	1.574	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](C)Cc1ccncc1	749620883	QBHIOFDCIJNNQW-ZDUSSCGKSA-N	312.373	1.965	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)[C@H]1CCO[C@H]1C	843654727	GOTCGZVZKYBWIJ-CRWXNKLISA-N	312.410	1.544	50	20	DDGD	
CON=Cc1ccc(C(=O)NNc2nc(C)cc(OC)n2)cc1	746632869	JVEIJFVUIZYSSK-UHFFFAOYSA-N	315.333	1.531	50	20	DDGD	
CCNCCNC(=O)NNC(=O)c1c(Cl)cccc1Cl	841934928	NLNDIBOOUREYPM-UHFFFAOYSA-N	319.192	1.547	50	20	DDGD	
O=C(NNC(=O)[C@@H]1Cc2ccccc21)c1ccc(Cl)nc1	742047845	GPGDNDYYTCSIOS-GFCCVEGCSA-N	301.733	1.836	50	20	DDGD	
C[C@H](CC1CCCCC1)NC(=O)NNC(=O)c1ncccn1	841585615	CRAIRTIECYRELJ-LLVKDONJSA-N	305.382	1.780	50	20	DDGD	
COc1cc(C=NNC(=O)Cc2csc(C)n2)cc(O)c1O	916317257	FYAPKAIHWOOTOF-UHFFFAOYSA-N	321.358	1.564	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(NC(C)=O)cc1	748258837	CPWWYMAVUBRXMD-LLVKDONJSA-N	307.350	1.147	50	20	DDGD	
Cc1nsc(NC2CC2)c1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843970370	FEHIXXCUKFQDLY-PSASIEDQSA-N	324.406	1.212	50	20	DDGD	
O=C(NCCCNC1CC1)NNC(=O)c1cccc(Cl)c1	841918986	ZMOPNLUOEXQUPD-UHFFFAOYSA-N	310.785	1.426	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Cc1ccc2ccccc2c1)[C@@H](C)O	842227576	TZRVTUWYLRDGBP-MLGOLLRUSA-N	314.385	1.937	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cnc2ccccc2n1	740764114	ZRLLRKVIROWGDE-UHFFFAOYSA-N	313.361	1.385	50	20	DDGD	
CCN1CCC(=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)[C@H](C)C1	741453964	AKTQOBGXJXIBBW-SNVBAGLBSA-N	319.365	1.625	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cccc(-c2cnco2)c1	923057356	IBEGTUSJHJSBTM-UHFFFAOYSA-N	315.329	1.529	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](C)Cc2cnc[nH]2)c1F	848208569	FSJBAOXBRWPIQY-SECBINFHSA-N	320.324	1.657	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCSc1ccccc1	843639110	GHSNUHSJHXJQJI-YPMHNXCESA-N	308.403	1.741	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)Cn1nnc2c1CCCC2	847751879	KJXWENJRWATSPR-UHFFFAOYSA-N	303.341	1.748	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2	755583197	OBERGTGNYHSZBC-UHFFFAOYSA-N	321.333	1.263	50	20	DDGD	
CN1CCC([C@@H]2CCN(C(=O)NNC(=O)C(C)(C)C)C2)CC1	756072765	LNUNXRNLKFXXAB-CYBMUJFWSA-N	310.442	1.437	50	20	DDGD	
CCN(CC)C(=O)CS[C@@H](C)C(=O)NNC(=O)CC(C)C	751804668	RZLGBARNWLXBOH-NSHDSACASA-N	317.455	1.170	50	20	DDGD	
C[C@]1(CNC(=O)NCCC2(CO)CC2)C[C@@H]1Br	856959875	ZBCJXMJVZURXLC-GXSJLCMTSA-N	305.216	1.622	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)Cc2cc(C)[nH]n2)C[C@@H]1C	758098663	SLEYMTZBNKGKFN-IINYFYTJSA-N	320.393	1.732	50	20	DDGD	
CNC(=S)N(C)NC(=O)CSCc1ccc(F)cc1	854927944	JZIGURTVNKTRQM-UHFFFAOYSA-N	301.412	1.526	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1cnc2ccc(F)cc2c1	758040208	OGBRJYORVPHBAK-UHFFFAOYSA-N	310.288	1.844	50	20	DDGD	
COc1ccccc1CC(=O)NN=C1C[C@H](C)N(C2CC2)C1	753960750	VERGFUMJURMBGC-LBPRGKRZSA-N	301.390	1.967	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1cnn(CC(F)F)c1	756710634	ZQKSCUFHFLNEOW-UHFFFAOYSA-N	301.297	1.491	50	20	DDGD	
C[C@@]1(CNC(=O)c2cc3n(n2)CCCO3)C[C@@H]1Br	857391927	WBUCPFXJBZELAT-CABZTGNLSA-N	314.183	1.569	50	20	DDGD	
CCCCCS(=O)(=O)CC(=O)NNc1ccnc(Cl)c1	855468959	NUXLBDZFMBGURR-UHFFFAOYSA-N	319.814	1.783	50	20	DDGD	
C=CC[C@H](CO)CNC(=O)NC[C@@]1(C)C[C@@H]1Br	856954182	PIHMTLSINWBSAR-JBLDHEPKSA-N	305.216	1.644	50	20	DDGD	
Cc1ccc(OCCCC(=O)NNC(=O)Cc2cc[nH]n2)cc1	755286529	NFRQOMOWYZZBJE-UHFFFAOYSA-N	316.361	1.267	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C=C1CCSCC1	854386635	RBTDATFIMBRIDZ-UHFFFAOYSA-N	316.423	1.376	50	20	DDGD	
CN(C)CCOCCNC(=O)NNc1cc(F)ccc1F	922144483	FMVPIEMITMTOBU-UHFFFAOYSA-N	302.325	1.169	50	20	DDGD	
Cc1ncc(C=NNC(=O)N2CCOCC2)n1-c1ccccc1	755673314	QFDIGWSOJWAATF-UHFFFAOYSA-N	313.361	1.556	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)CC[C@H]1NC(=O)NC1=O	854843578	SGEXNBIUTRBPCF-SECBINFHSA-N	310.741	1.080	50	20	DDGD	
Cc1n[nH]c(C)c1CCC(=O)NNC(=S)NCC1CCC1	855090692	MDAHZNXAENDGLQ-UHFFFAOYSA-N	309.439	1.255	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)/C=C/c1ccccc1F	854386136	KFZXUZDCHQBDEA-ZHACJKMWSA-N	324.352	1.776	50	20	DDGD	
CCO[C@@H]1COCC[C@H]1NC(=O)NNc1ccc(F)c(F)c1	921958524	ZVICGUHKMNFLLR-CHWSQXEVSA-N	315.320	1.785	50	20	DDGD	
C[C@@]1(CNC(=O)N[C@H]2CC[C@H](O)CC2)C[C@H]1Br	856881121	OPHKCFMJDFVAHR-BFLSOPEQSA-N	305.216	1.763	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@@H]1OCCc2ccccc21)C1CC1	855099006	PRQIPQMKKKLFPZ-QMTHXVAHSA-N	319.430	1.594	50	20	DDGD	
O=C(CCCc1ccccn1)NNC(=O)OCC(F)(F)F	856023824	XKYAKICTGLKHGW-UHFFFAOYSA-N	305.256	1.724	50	20	DDGD	
O=C(NCC(F)(F)F)NN=C1C(=O)Nc2cccc(Cl)c21	750934199	IEGHJSUQLVXMKX-UHFFFAOYSA-N	320.658	1.858	50	20	DDGD	
CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)NNc1cccc(F)n1	852692954	DWJJKEOEIDAPBM-ZUZCIYMTSA-N	324.356	1.969	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](C)C[C@H]1CCOC1	759718705	OJUJRZQGWAKUAI-CHWSQXEVSA-N	305.378	1.754	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NCC1CC=CC1	858093505	AMZYFSGMLWTAMX-UHFFFAOYSA-N	313.361	1.553	50	20	DDGD	
COC(=O)CN1CCC(NC[C@@]2(C)C[C@H]2Br)CC1	857065594	RGPCEFHWRLZFPN-DGCLKSJQSA-N	319.243	1.387	50	20	DDGD	
CC(C)C[C@H](CO)NC(=O)NC[C@]1(C)C[C@@H]1Br	856894536	UJQJTYNGMWDBMR-SCVCMEIPSA-N	307.232	1.866	50	20	DDGD	
Cn1nnc2cc(C(=O)NC[C@]3(C)C[C@H]3Br)ccc21	857398919	UICKNOOGBXBNMU-YPMHNXCESA-N	323.194	1.872	50	20	DDGD	
Cn1nnc2c1C[C@@H](C(=O)NNc1ccnc(Cl)c1)CC2	855466861	ZHALYEOQNFMROL-QMMMGPOBSA-N	306.757	1.112	50	20	DDGD	
CCOc1ccc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(C)c1	853284441	CTGKOEJMFPTEPM-CYBMUJFWSA-N	324.402	1.279	50	20	DDGD	
CN(C)c1ccc(C=NNC(=O)C(=O)Nc2ccccn2)cc1	758382722	ZAORBHSECQTVAS-UHFFFAOYSA-N	311.345	1.236	50	20	DDGD	
C[C@@H]1CN(C[C@@H](CBr)C2CC2)CCS(=O)(=O)C1	859280031	HTXJZSDMPPUQMU-ZYHUDNBSSA-N	324.284	1.774	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cnn(C)c1C(F)F)C1CC1	855101832	YWXGXCADBCTOJL-LURJTMIESA-N	317.365	1.265	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2ccc(-c3ccccc3)nn2)c[nH]1	754470877	OIEMFAYZLRTOHB-UHFFFAOYSA-N	322.328	1.328	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1Cl)[C@@H]1CCS(=O)(=O)C1	752809482	DZPNKAQZDVXRIQ-SSDOTTSWSA-N	323.201	1.871	50	20	DDGD	
Cn1cc(C=NNC(=O)c2ccc(Br)s2)nn1	755576998	QJVKHWXFOYEWNB-UHFFFAOYSA-N	314.168	1.403	50	20	DDGD	
Cc1ccc(C(=O)NNc2ncccn2)cc1N1CCOCC1	864768459	HLXXHMWQLUZVIP-UHFFFAOYSA-N	313.361	1.379	50	20	DDGD	
CC(C)S(=O)(=O)CC(=O)NNc1ccc(F)c(Cl)c1	863079882	DNUWSEIVDAUJLA-UHFFFAOYSA-N	308.762	1.745	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCC(=O)[C@H]1CCOC1	762911407	LBPRPQQFERFRKS-ALFJJAPYSA-N	301.298	1.448	50	20	DDGD	
COC(=O)c1coc(C(C)=NNC(=O)Cc2cccnc2)c1	766450323	IFXVGTVASORJBB-UHFFFAOYSA-N	301.302	1.544	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cccc(Cn2ccnc2)c1	760908720	RWBLHWCNHMOAMJ-UHFFFAOYSA-N	312.308	1.617	50	20	DDGD	
CN(C)c1ccc(NCc2cccc(B(O)O)c2)cc1Cl	864025223	GBJFUBCCMLXWJS-UHFFFAOYSA-N	304.586	1.698	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cn[nH]c1)[C@H]1OCCc2sccc21	862470087	ZNUNASCCOILQOL-PRHODGIISA-N	320.374	1.182	50	20	DDGD	
C[C@@H](COCC1CCCCC1)NCC(=O)NNC(=O)C1CC1	932421927	SXVSTBOSLGHAJN-LBPRGKRZSA-N	311.426	1.119	50	20	DDGD	
Cn1nc(NC(=O)NNC(=O)C2CCOCC2)c2ccccc21	934434142	HNIPJQYPUKFPDI-UHFFFAOYSA-N	317.349	1.153	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2ccccc2Cl)ncn1	763429465	FYVDMASCWAGUPK-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H]2CCc3ccccc3C2)n[nH]1	869019142	SPLIHSVTJDCFCQ-AWEZNQCLSA-N	312.373	1.213	50	20	DDGD	
CCN1CCN(S(=O)(=O)CC(C)(C)CCl)C(C)(C)C1=O	867129972	FYXGPUSMLOIPFY-UHFFFAOYSA-N	324.874	1.524	50	20	DDGD	
CCC[C@H](O)C(=O)NNC(=O)c1cccc(OC(F)F)c1	931889059	CSRKDZZGMHBICF-JTQLQIEISA-N	302.277	1.210	50	20	DDGD	
C[C@H](NNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(F)(F)F	862306788	OMNGSVPUHCIIBL-YFKPBYRVSA-N	321.211	1.509	50	20	DDGD	
CCc1ccc(C=NNC(=O)CNC(=O)c2cccs2)o1	760247680	DZGRRLAFAZSHQK-UHFFFAOYSA-N	305.359	1.784	50	20	DDGD	
Cc1ccc(NCc2ccc(B(O)O)cc2)cc1-c1ncco1	864031119	VVCZFPJKRVWJIV-UHFFFAOYSA-N	308.146	1.942	50	20	DDGD	
Cc1cc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)ns1	769298247	ZXBOSJYWKOJQPN-SECBINFHSA-N	313.379	1.190	50	20	DDGD	
Cc1cc(=NNC(=O)c2cc(O)nc(CC(C)C)c2)cc[nH]1	862514435	MPLAZJAMYWPFBW-UHFFFAOYSA-N	300.362	1.868	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)c2cccc(Cl)c2)n[nH]1	765587566	NTOMRUVCAIXNOI-SECBINFHSA-N	306.753	1.936	50	20	DDGD	
Cn1cc2c(n1)CCC[C@@H]2NS(=O)(=O)CC(C)(C)CCl	867236398	ODPACPMFUNQRDF-LBPRGKRZSA-N	319.858	1.982	50	20	DDGD	
O=C(CCCCO)NNC(=O)c1cccc(OC(F)F)c1	865158083	HRKOAOTWCAIENV-UHFFFAOYSA-N	302.277	1.212	50	20	DDGD	
O=C(NNC(=O)c1cccc(OC(F)F)c1)c1cncnc1	760569520	HAQCABAEFHLSQU-UHFFFAOYSA-N	308.244	1.153	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2cnn(CC3CC3)c2)c1	869384670	DMNDYCWYGIOLNC-UHFFFAOYSA-N	304.375	1.738	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cccc([N+](=O)[O-])c2O)n1	769155493	ODDUWQLGLWJPSU-UHFFFAOYSA-N	319.277	1.164	50	20	DDGD	
COC[C@@H](C)NC(=S)NNC(=O)Nc1ccc(OC)cc1	762979730	XODJVLBGKIEWDH-SECBINFHSA-N	312.395	1.231	50	20	DDGD	
CCO[C@H](CC(=O)NNC(=O)c1cccc(OC)c1O)C(C)C	760829853	JHNWXESKTSMDKT-CYBMUJFWSA-N	324.377	1.613	50	20	DDGD	
C[C@@]1(C(=O)N2CCC(S(C)(=O)=O)CC2)C[C@H]1Br	1119564243	QWPPFHKQUQBYHJ-MWLCHTKSSA-N	324.240	1.196	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1F)[C@H]1CCCS(=O)(=O)C1	871271439	OWIZMBSGTJYYGA-QMMMGPOBSA-N	320.773	1.747	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cccc([S@](C)=O)c2)n1	771736312	ISXJZXQILRCKHD-QFIPXVFZSA-N	319.390	1.037	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Nc1ccc(N(C)C)cc1)n1cccc1	1116951501	KKOGCOJADAREHI-GFCCVEGCSA-N	315.377	1.968	50	20	DDGD	
O=C(CCc1ccc2c(c1)CCO2)NNc1ncc(F)cn1	1116407705	RTZSSGJRERPZJF-UHFFFAOYSA-N	302.309	1.627	50	20	DDGD	
N#C/C(=C\c1cn(-c2ccccc2)nn1)C(=O)N=c1cc[nH]cc1	774560618	MOHKJMDINXPFEB-JLHYYAGUSA-N	316.324	1.630	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)NCC(F)F)c1	879759501	OZFFTTXFXNALPS-UHFFFAOYSA-N	301.293	1.278	50	20	DDGD	
COC(=O)CCCC(=O)NNC(=O)COc1cc(C)cc(C)c1	873772513	SEXWXEYPMFMDPW-UHFFFAOYSA-N	322.361	1.173	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@@H]2CC[C@@H](C)C2)cc1	776451448	DFCRXADJAHRRMJ-VXGBXAGGSA-N	305.378	1.691	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@H](C)NC(=O)C1CCCC1	887142995	HISLBSYBZOOMSZ-LBPRGKRZSA-N	307.394	1.022	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1ccc(C(F)(F)F)nn1	779823548	RQAWBOGCMGHQSC-UHFFFAOYSA-N	319.287	1.245	50	20	DDGD	
O=C(C[C@@H]1CCCS(=O)(=O)C1)NNc1cc(F)ccc1F	885141507	GGXXEZGDZUPXHX-VIFPVBQESA-N	318.345	1.623	50	20	DDGD	
C[C@@]1(c2ccccc2)C[C@H]1NC(=O)NNC(=O)C1CCOCC1	883458305	DNJHJKJTCOLJGR-PBHICJAKSA-N	317.389	1.474	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@@]1(C)CCCO	776598566	QZQMAJUYKRJRSA-CJNGLKHVSA-N	313.442	1.195	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1cccc(NC(C)=O)c1	887150299	FMFKXXRPAYGRRF-UHFFFAOYSA-N	301.346	1.138	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(O)nc2c1CCCC2	887154272	FMPXZSZMYBSKAI-UHFFFAOYSA-N	301.346	1.231	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)NC[C@H](C)C#N)cc1	781948538	BCKMJQKQVWWECL-LLVKDONJSA-N	306.391	1.577	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NC[C@@H]1CCC=CO1	780730005	IJEAAOFWMSUPTR-AWEZNQCLSA-N	303.362	1.642	50	20	DDGD	
CC(C)Oc1ccc(CNS(=O)(=O)CBr)cn1	782417935	LLJLHGUFXCYBJV-UHFFFAOYSA-N	323.212	1.641	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCc1ccccc1C(=O)OC	887145672	NJMRLSHYUSDYJA-UHFFFAOYSA-N	316.357	1.357	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(Cn2cccn2)o1	887141795	JAGCSFCDHIIWMY-UHFFFAOYSA-N	300.318	1.089	50	20	DDGD	
Cc1ccccc1C[C@H](C)NC(=O)NNC(=O)C1CCOCC1	883155250	DPTVFERQUXJZCD-ZDUSSCGKSA-N	319.405	1.683	50	20	DDGD	
COc1cccc(C[C@H](O)C(=O)NNc2ccnc(F)c2)c1	785422475	SCQFLOWMPRCRGQ-ZDUSSCGKSA-N	305.309	1.276	50	20	DDGD	
O=C(NN=C[C@H]1CCSC1)c1ccc(-n2cnnn2)cc1	782168795	KWYHHKSLSVHBRC-SNVBAGLBSA-N	302.363	1.131	50	20	DDGD	
CC(C)(C)[C@@H](O)C(=O)NNc1nnc(-c2ccccn2)s1	788556591	OQLAWWGNMAUTAY-VIFPVBQESA-N	307.379	1.450	50	20	DDGD	
O=C(/C=C/c1ccc(Cl)nc1)NNC(=O)C1CCOCC1	894103485	JWJZVHZUMIULGZ-DUXPYHPUSA-N	309.753	1.322	50	20	DDGD	
CC(=NNC(=O)C(F)F)c1cccc(NS(C)(=O)=O)c1	782235560	SKCRWFMVTCDDBB-UHFFFAOYSA-N	305.306	1.163	50	20	DDGD	
O=C(NNc1ncncc1Cl)Nn1cnc2ccccc21	780946240	GQRPKSVJDOTDDX-UHFFFAOYSA-N	303.713	1.760	50	20	DDGD	
COc1ccc(C(=O)O)cc1/C=C(\C#N)C(=O)N1CCCC1	899339371	VTBNABFFLGUXAM-UKTHLTGXSA-N	300.314	1.923	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2ccc3cncn3c2)c1	785705937	PCUKIKOFUVSGBP-UHFFFAOYSA-N	323.356	1.475	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ncc[nH]1	790168573	XYBNAEGPSPSTLN-UHFFFAOYSA-N	321.362	1.359	50	20	DDGD	
O=C(NNc1ncccn1)[C@@H]1CC(c2c(F)cccc2F)=NO1	791316028	FDBIHUHCDHSGMU-NSHDSACASA-N	319.271	1.391	50	20	DDGD	
O=C(CN1C[C@H]2CCC[C@@H](C2)C1)NNC(=O)c1cccs1	796271704	SAAVWBYESSQBHD-RYUDHWBXSA-N	307.419	1.631	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)C(=O)Nc1ccnn1C	799842455	HYHSRVYWKQNPMK-UHFFFAOYSA-N	301.350	1.373	50	20	DDGD	
CON(CC(=O)NNC(=O)c1ccc(C)cc1)CC(C)(C)C	796470138	CWLODTANMRXHCX-UHFFFAOYSA-N	307.394	1.666	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H]1CC(=O)N(C2CC2)C1	798313475	ZZYHRWKAAZDKGI-NSHDSACASA-N	316.361	1.159	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)c1ccc(O)nn1	790167832	LOOLBNHFPTTZTK-UHFFFAOYSA-N	315.289	1.426	50	20	DDGD	
CCSCc1cc(C(=O)NNc2nc3ccccn3n2)no1	791263792	NGAJFDKGNZHCGT-UHFFFAOYSA-N	318.362	1.727	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2ccccn2)c(C)cc1C	796990431	WEWRORKJIKHSOR-UHFFFAOYSA-N	314.345	1.789	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)[C@H]1CCN(CC(F)(F)F)C1	792328140	DRRQSEQWEILBKY-QMMMGPOBSA-N	322.718	1.484	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)NCc1ccccc1Cl	794748119	JRNJKVOCSAUGKJ-UHFFFAOYSA-N	319.752	1.693	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@H](C)CC(C)(C)c1ccccc1	1323435349	YVEPLHHOQGNDJQ-LLVKDONJSA-N	321.377	1.246	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1cc(OCC(F)F)ccn1	1324989104	QBLWADUCOVAVIZ-JXMROGBWSA-N	311.288	1.786	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@H]2CCCS2)cc1	1323771687	YALGJHWMVHTNQP-GFCCVEGCSA-N	309.391	1.535	50	20	DDGD	
C=C[C@@H](COC)NC(=O)NNC(=O)COc1ccc(C)c(C)c1	1324031453	AXLZGUATOLDFQX-ZDUSSCGKSA-N	321.377	1.214	50	20	DDGD	
COC(=O)C(=O)NN=C1CCCSc2ccc(OC)cc21	1326235396	ZEPSWGDJRZSBBA-UHFFFAOYSA-N	308.359	1.574	50	20	DDGD	
C/C(=C\C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)c1ccco1	1327129262	XMTACPQPWQVPGB-LMMOQWNQSA-N	322.361	1.808	50	20	DDGD	
CC(=O)c1cccc(O[C@@H](C)C(=O)NNc2ccn(C)n2)c1	1256184070	JXWPCWJYZAGFLO-NSHDSACASA-N	302.334	1.533	50	20	DDGD	
C[C@]1(CNC(=O)c2c[nH]cc(Cl)c2=O)C[C@@H]1Br	1328593855	DBCSYPDFNNHXOY-GZMMTYOYSA-N	319.586	1.932	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)cc1C#N	1325161650	OXGLYKNLOYAOFH-UHFFFAOYSA-N	323.356	1.543	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2nccn2C1)c1ccccc1Cl	1330739613	HNJVCIUHECXTAJ-JTQLQIEISA-N	318.764	1.560	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccc(F)cc1F	1332471443	VVKBHJZUTVBGLP-SBMIAAHKSA-N	312.316	1.641	50	20	DDGD	
C[C@]1(C(=O)N2CCC(F)(F)[C@H](CO)C2)C[C@H]1Br	1334944811	MZQCKCWYFNGAPZ-XKSSXDPKSA-N	312.154	1.636	50	20	DDGD	
COc1cc(OC)c2c(c1)N(S(=O)(=O)CCl)CCC2	1261797125	XIHBDEOWPYOFRX-UHFFFAOYSA-N	305.783	1.983	50	20	DDGD	
O=C(CN1C(=O)CCC1=O)NNc1cccc2c1CCCC2	1349203959	UYFRKOYHUMVBMA-UHFFFAOYSA-N	301.346	1.158	50	20	DDGD	
C[C@@H]1CCc2nc(C=NNC(=O)N3CCOCC3)sc2C1	1343882482	ROTRBLIYUFFRKN-SNVBAGLBSA-N	308.407	1.644	50	20	DDGD	
CCN(CC)CC[C@@H](C)NC(=O)NNC(=O)CC(C)(C)C	1515342343	CWVWOMRSNPZUSJ-GFCCVEGCSA-N	300.447	1.873	50	20	DDGD	
C=C(CC(C)C)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	1520753317	KQTHJJDDNFHDKR-UHFFFAOYSA-N	304.346	1.821	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnc(NCC)c(Cl)c1	1520824068	FKYKULCJQXBPMQ-UHFFFAOYSA-N	313.789	1.911	50	20	DDGD	
O=C(NN=C[C@@H]1CCCOC1)c1ccc(-c2nn[nH]n2)cc1	1606850177	CJDRMMQIWCPXDL-JTQLQIEISA-N	300.322	1.009	50	20	DDGD	
COCCOCCC(=O)NNc1ccc(C(=O)O)c(Cl)c1	1606903924	XOZLUWOOROOHTM-UHFFFAOYSA-N	316.741	1.534	50	20	DDGD	
O=C(O)COc1cccc(NC(=O)NNc2ncncc2F)c1	1602094682	RLDZSIBMPJYVCH-UHFFFAOYSA-N	321.268	1.228	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2cccc(C(=O)O)c2)c2nccn21	1609845190	QNOKKHZHKGGWHI-SKDRFNHKSA-N	315.333	1.913	50	20	DDGD	
CC(C)(C(=O)O)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	1602836920	VXIJZVOLYQYQBI-UHFFFAOYSA-N	301.249	1.228	50	20	DDGD	
O=C(Cc1ccccc1[N+](=O)[O-])NNc1cccc(C(=O)O)c1	1601369792	JYYJXPDLTPWCLT-UHFFFAOYSA-N	315.285	1.979	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)C1(C(=O)O)CCCCC1	1605428681	IHUPBERXFMXQFN-UHFFFAOYSA-N	311.363	1.248	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC(C)(C)C(=O)O)cc1F	1600341168	QGIRZLDEUZAVCE-UHFFFAOYSA-N	311.313	1.189	50	20	DDGD	
COC(=O)CCCCNC(=O)NNc1cccc(C(=O)O)c1	1606452946	KBMQOEHOUIGHPY-UHFFFAOYSA-N	309.322	1.354	50	20	DDGD	
O=C(Cc1cc(F)ccc1O)NNc1ncccc1C(=O)O	1605708971	IPFJCTSNYWBJQR-UHFFFAOYSA-N	305.265	1.310	50	20	DDGD	
Cc1ccc(NNC(=O)c2cnn(CCF)c2)cc1C(=O)O	1600463610	AXVPVLXUYMKUAV-UHFFFAOYSA-N	306.297	1.616	50	20	DDGD	
Cc1cc(NNC(=O)Nc2ccccc2CC(=O)O)nc(N)n1	1605213505	PDVQWVQVTREYGJ-UHFFFAOYSA-N	316.321	1.143	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc(F)s1	1606861607	OUELXKGUSBOLAJ-UHFFFAOYSA-N	304.310	1.824	50	20	DDGD	
O=C(COC[C@@H]1CCCO1)NNc1ccc(C(=O)O)cc1F	1610669725	ZPUNZUSWVXZALC-JTQLQIEISA-N	312.297	1.163	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC[C@@H](C(=O)O)C2)cc1F	1610484751	DIJILQACUOZJCO-ZYHUDNBSSA-N	322.336	1.786	50	20	DDGD	
Cn1c(C(=O)O)ccc1C(=O)NNc1cccc([N+](=O)[O-])c1	1610596589	UNJUBHXJTVYHSX-UHFFFAOYSA-N	304.262	1.388	50	20	DDGD	
CC1(C)CC(=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)C(C)(C)O1	1549316315	FPRNNYMZMDAUTH-VXGBXAGGSA-N	309.410	1.299	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@H]1C=NNC(=O)c1cccnc1	1552757337	CTDDKIUNQGJNAK-JSGCOSHPSA-N	313.361	1.791	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H]2[C@@H](CN)C2(F)F)ccc1C	1578860266	JWLPBKVBCAYWDD-GHMZBOCLSA-N	313.304	1.065	50	20	DDGD	
Cc1cccc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)c1O	1581230368	JIEVEKGRYQJVBQ-UHFFFAOYSA-N	311.305	1.033	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN1)c1nc2ccccc2cc1C1CC1	1580736477	UNJGNAOAZUUJBN-AWEZNQCLSA-N	310.357	1.235	50	20	DDGD	
COC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](F)Cl	1847315270	SZUWBIQJQUGMPS-GUBZILKMSA-N	306.765	1.148	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNc2ccc(C)c(C(=O)O)c2)c1	1589253310	DARYMMCZUUUUTP-UHFFFAOYSA-N	301.302	1.981	50	20	DDGD	
O=C([C@H](O)CCl)N1CC2(CCCN2C(=O)c2ccccc2)C1	1844847987	BYMDPZATWOMFBS-CYBMUJFWSA-N	322.792	1.103	50	20	DDGD	
CC(C)(C)OCCNC(=O)NNc1ccc(C(=O)O)cc1F	1590388367	OQPSGTVTKRTEOE-UHFFFAOYSA-N	313.329	1.965	50	20	DDGD	
CC(CCC(=O)O)=NNC(=O)c1cnn(-c2ccccc2)c1	1592470041	FPYZIEGHZXQRCG-UHFFFAOYSA-N	300.318	1.843	50	20	DDGD	
CC1(C)C(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)C1(C)C	1590073425	LEMWCJSDOANRMF-UHFFFAOYSA-N	301.354	1.387	50	20	DDGD	
O=C(NN=Cc1c[nH]c2cccc(-c3nn[nH]n3)c12)C1CCC1	1593155185	DIZMMRRYXQDKNA-UHFFFAOYSA-N	309.333	1.598	50	20	DDGD	
CNc1nc(C)cc(C(=O)NNc2ccc(C(=O)O)cc2F)n1	1598682003	YIBWICQWXOQEDR-UHFFFAOYSA-N	319.296	1.421	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)c2c[nH]c(C(=O)O)c2)cc1	1598872401	XTRCHBJYWRZQOS-UHFFFAOYSA-N	317.301	1.185	50	20	DDGD	
COc1ccc(O)cc1C(=O)NNc1ccccc1C(=O)O	1599599954	YUSVAMBIOBSDRJ-UHFFFAOYSA-N	302.286	1.856	50	20	DDGD	
C[C@@]1(CNc2cc(-c3nn[nH]n3)ccn2)C[C@@H]1Br	1590134095	NNFLGYGSBFKIDN-KWQFWETISA-N	309.171	1.847	50	20	DDGD	
CCCNC(=O)/C(C#N)=C\c1cccc(F)c1-c1nn[nH]n1	1590634450	GSWWOKNZPMOFPR-YFHOEESVSA-N	300.297	1.439	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCC(C)(C)CC(=O)O	1599696620	GNHQJGQPMCSTBA-UHFFFAOYSA-N	323.349	1.140	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O	1596859566	DRSMGTKWBBBQKZ-ZVHGMHCTSA-N	300.314	1.468	50	20	DDGD	
CC(=NNC(=O)c1ccon1)c1cccc(O[C@@H](C)C(=O)O)c1	1776106040	OOENANNFLAHMES-JTQLQIEISA-N	317.301	1.681	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)COc2ccc(F)cc2)cn1	16205529	ZGYLVHAPYRGMFY-UHFFFAOYSA-N	319.292	1.069	50	20	DDGD	
O=C(NNc1ncccn1)Nc1cnn(C[C@H]2CCCO2)c1	161046089	RZNKTVOGMFTAQZ-LLVKDONJSA-N	303.326	1.001	50	20	DDGD	
C#CCOCCC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	158881049	TUUDUNIEXLHSAT-CQSZACIVSA-N	318.373	1.258	50	20	DDGD	
O=C(CS(=O)(=O)C1CCCC1)NNc1ccccc1F	153037893	ALJCJKQMWOCRFD-UHFFFAOYSA-N	300.355	1.626	50	20	DDGD	
COc1cccc(OC)c1CC(=O)NNc1ccc(Cl)nn1	153947031	UDUQXABOKUUKQI-UHFFFAOYSA-N	322.752	1.833	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)cc1	155417325	BZKMAQFYHUJQAU-CQSZACIVSA-N	312.373	1.650	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCOC3(CCC3)C2)cc1	154243057	HCFUBYVGAZYNQM-UHFFFAOYSA-N	317.389	1.011	50	20	DDGD	
C[C@H](CBr)CN1CCC(N2CCOC2=O)CC1	852721189	HUCFMERWOFIFQF-SNVBAGLBSA-N	305.216	1.934	50	20	DDGD	
Cn1ncc2c1CN(S(=O)(=O)c1ccc(CCl)cc1)C2	917852731	RZMZRSZEUFOQSP-UHFFFAOYSA-N	311.794	1.863	50	20	DDGD	
CNC(=O)C1CCN(C[C@H](CBr)C2CC2)CC1	859062053	NQCZQQSCLROGGK-LBPRGKRZSA-N	303.244	1.866	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H]1CCCN1C(=O)c1cccs1	24607963	KSTWTXDFILPILA-NSHDSACASA-N	323.418	1.546	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)[C@@H]2CCCN2S(C)(=O)=O)c1	177377225	JAHODMGSLAOIKR-LBPRGKRZSA-N	315.370	1.001	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1cccc2c1OCCCO2	53101953	ZXKWEOHRXWFULN-JLHYYAGUSA-N	303.314	1.944	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)Cc2ccccc2F)cn1	66909073	OKBTVEDRUQIOTG-UHFFFAOYSA-N	316.336	1.602	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2ccccc2)cn1	170699018	NMKHMSVMYWJABV-UHFFFAOYSA-N	302.359	1.722	50	20	DDGD	
C=CCCCC(=O)NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1	175625259	DCMYSEVFQODUOB-UHFFFAOYSA-N	318.381	1.674	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cn1	114222964	LOSAMTFDUNRXHX-SNVBAGLBSA-N	320.324	1.271	50	20	DDGD	
O=C(NNC(=O)c1cccc(NC(=O)C2CC2)c1)c1cccnc1	27634140	ZWBMOYZSDQADOH-UHFFFAOYSA-N	324.340	1.505	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)N[C@@H]1CCOC1	178749456	DNIIMQWDKINUOC-OAHLLOKOSA-N	313.357	1.502	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cc(C(N)=O)c[nH]1)c1ccccc1	176607755	TYMBJRKGMGWRNA-GFCCVEGCSA-N	314.345	1.068	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccc2nncn2c1)c1ccccc1	110336109	KXTDCHDZKFUZQC-AWEZNQCLSA-N	323.356	1.684	50	20	DDGD	
Cc1nnc(SCC(=O)NNC(=O)c2cccs2)s1	28864470	HRWWABMWTWOCAC-UHFFFAOYSA-N	314.417	1.461	50	20	DDGD	
COCCOc1ccccc1C(=O)NNC(=O)NC1CCCC1	65919079	JQAJGZSTMLHNJN-UHFFFAOYSA-N	321.377	1.598	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@H](C)C(=O)NNC(=O)CC(C)(C)C	175990988	OFYJSQDBKYRZFA-JTQLQIEISA-N	308.426	1.799	50	20	DDGD	
CCc1onc(C)c1NC(=O)C(=O)NNc1ccc(C#N)cc1	119709364	FSVBETGALFMHMH-UHFFFAOYSA-N	313.317	1.499	50	20	DDGD	
CCc1ncc(C(=O)NNC(=O)Cc2ccccc2OC)s1	65067994	JGEGJUKFPSXPDE-UHFFFAOYSA-N	319.386	1.718	50	20	DDGD	
CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NNc1ncccn1	69455948	IPIGQRUNRHORFU-GULOHRGCSA-N	321.406	1.178	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NNC(=O)OC)c1C	185417949	ZIOIAODLZHBKMX-MDWZMJQESA-N	304.350	1.809	50	20	DDGD	
COc1ccc(F)cc1CC(=O)NNC(=O)NCC(F)(F)F	186503074	GJPCUXGPNBEWAI-UHFFFAOYSA-N	323.246	1.270	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CCCOC(C)C)cc1	182385334	CSUFYFFUAUINBQ-UHFFFAOYSA-N	322.405	1.980	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)CCC(=O)N2	183547288	XPGKHOOBXOKFEX-SECBINFHSA-N	304.350	1.770	50	20	DDGD	
C#CCOc1ccc(C(=O)NNC(=O)NCC(F)(F)F)cc1	75566895	UTNVJBANTONFNK-UHFFFAOYSA-N	315.251	1.205	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)Cn1ccc2ccccc21	126504597	FDDLGZRPIMGBLO-GFCCVEGCSA-N	303.362	1.604	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1nn(-c2ccccc2)cc1O	182463401	IWDCEKAWZMJODV-UHFFFAOYSA-N	313.292	1.869	50	20	DDGD	
CC1(C)C(C(=O)NNC(=O)COc2ccc(C#N)cc2)C1(C)C	72796036	HADYYOKCYACHDD-UHFFFAOYSA-N	315.373	1.767	50	20	DDGD	
Cc1cccc(-n2cc(C(=O)NNc3cc(C)nc(C)n3)nn2)c1	129123901	MUVNTLSPQZVRCB-UHFFFAOYSA-N	323.360	1.739	50	20	DDGD	
CN(CC(=O)N1CCOCC1)/C(=C/C#N)c1ccc(F)cc1	78688828	HBRDTNWUVQMKOB-GIDUJCDVSA-N	303.337	1.481	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)C1(O)CCSCC1	124287515	ZJSCPNPANNXNQG-UHFFFAOYSA-N	318.345	1.989	50	20	DDGD	
COC1(CNC(=O)NNC(=O)c2cc3ccccc3o2)CCC1	181387096	QLYNQNJSMHDNLZ-UHFFFAOYSA-N	317.345	1.946	50	20	DDGD	
O=C(NNc1nnc(C2CC2)s1)[C@@H]1CCCc2[nH]ncc21	184466866	IPQHTAIYUVIRCY-MRVPVSSYSA-N	304.379	1.702	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cc(F)c(O)c(F)c1	186797527	WHMXJYZATPGWDX-UHFFFAOYSA-N	322.267	1.754	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNc1ncnc2ccsc12	132907550	GPRIGVAOGIKYOF-UHFFFAOYSA-N	321.406	1.831	50	20	DDGD	
COc1cccc(CCNC(=O)NNc2cccc(OC)n2)c1	180967154	AJLXOUYVVGYFTE-UHFFFAOYSA-N	316.361	1.968	50	20	DDGD	
C[C@H](Oc1ccccc1)C(=O)NNc1nc2ccccc2c(=O)[nH]1	137190305	ISFUFJHCSBLGQQ-NSHDSACASA-N	324.340	1.834	50	20	DDGD	
CCCc1[nH]ncc1C(=O)NNC(=O)NCCc1cccs1	133496232	JZUAEPUWBMPYHI-UHFFFAOYSA-N	321.406	1.610	50	20	DDGD	
O=C(C#Cc1ccccc1)NNC(=O)c1cccc([N+](=O)[O-])c1	81105487	OSJHEQXPGMBRRX-UHFFFAOYSA-N	309.281	1.408	50	20	DDGD	
CCCCn1nccc1NC(=O)C(=O)NNc1cc(C)ccn1	190052368	YMPUDUABSBQSLR-UHFFFAOYSA-N	316.365	1.468	50	20	DDGD	
O=C(Cc1ccc(-n2cnnn2)cc1)NNc1ccc(F)cc1	48136558	JUCXJEUCEDQZBW-UHFFFAOYSA-N	312.308	1.487	50	20	DDGD	
CCCOc1ccc(Cl)cc1C(=O)NNC(=O)C(C)(C)O	190071136	OKBRLVRYIQOZEF-UHFFFAOYSA-N	314.769	1.661	50	20	DDGD	
COc1cc(C=NNC(=O)Cn2nc(C)cc2C)ccc1O	254623533	JOMMOESOEZJZCV-UHFFFAOYSA-N	302.334	1.364	50	20	DDGD	
COCCOCCC(=O)NN=c1sc2ccccc2n1C	255691921	FJYHYFBUEGKDMA-UHFFFAOYSA-N	309.391	1.225	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)CNc2ccc(C)cc2)O1	268225845	JZLOJHNURHTRAQ-KGLIPLIRSA-N	305.378	1.512	50	20	DDGD	
C[C@@H](C(=O)NNc1c(F)cccc1F)N1CCSCC1	269664218	GSXBQLHENLCJGL-VIFPVBQESA-N	301.362	1.845	50	20	DDGD	
CN(C)C(=O)C1(CNC(=O)NN(C)c2ccccc2)CCCC1	265022382	FECGLLOZYKEVDZ-UHFFFAOYSA-N	318.421	1.986	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	269444307	BCPWIBMLYIOHRB-LBPRGKRZSA-N	310.375	1.360	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1Cl)C(=O)NNC(=O)NC1CC1	265071600	VQNKSWOVNFSSNU-ZETCQYMHSA-N	315.732	1.739	50	20	DDGD	
CC(=O)Nc1ccc(CCNC(=O)NNC(=O)CC(C)C)cc1	264051248	JGDWBJHWMNGJCF-UHFFFAOYSA-N	320.393	1.564	50	20	DDGD	
N#Cc1ccc(S(=O)(=O)NNC(=O)C2CCC2)cc1Cl	264706982	FSIHLEDEFQFSSZ-UHFFFAOYSA-N	313.766	1.321	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)NC2CCCCC2)c1C	263873584	UQFUPFCDLMNPDS-UHFFFAOYSA-N	307.398	1.797	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CC(C)C)cc1[N+](=O)[O-]	274180554	OSQCGBIJNVOWOH-UHFFFAOYSA-N	322.321	1.035	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)COC2CCCC2)c1	271950443	ASHNRRXWQQBXFJ-UHFFFAOYSA-N	312.391	1.492	50	20	DDGD	
CCCCOc1cccc(NC(=O)C(=O)NNC(=O)OC)c1	274141089	BHVXQUYFVPHMEC-UHFFFAOYSA-N	309.322	1.191	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)NNc1cnccn1	277003554	DEVZGYBSIUQFMV-ZJUUUORDSA-N	309.370	1.469	50	20	DDGD	
CN1CCN(Cc2ccc(C(=O)N3CC=C(C#N)CC3)cc2)CC1	272699476	SYBDAVDRYPLSOU-UHFFFAOYSA-N	324.428	1.730	50	20	DDGD	
O=C(NNc1ccc(Cl)c(F)c1)[C@H]1CCCCS1(=O)=O	275069857	PBZCRFXJQNKPQD-LLVKDONJSA-N	320.773	1.890	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N1CCN(C)CC1)c1ccc(F)cc1	278684654	QSXDNDRHVCSQHL-CQSZACIVSA-N	322.384	1.308	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(C(=O)OC)c(F)c1	274326163	BWTSCWRZFGYVFC-UHFFFAOYSA-N	312.301	1.310	50	20	DDGD	
O=C(NCCC[C@@H]1CCCCO1)NNC(=O)c1ccccc1O	273666254	HCWPFZDVPPVOEB-LBPRGKRZSA-N	321.377	1.686	50	20	DDGD	
CC(C)(C)Sc1cc(C(=O)NNC(=O)C(C)(C)O)ccn1	277960685	MNEGZGNTVBAGTI-UHFFFAOYSA-N	311.407	1.504	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C2(COC)CCC2)nc1C	285488730	DNEMRWYZNIFRQN-UHFFFAOYSA-N	322.365	1.222	50	20	DDGD	
COc1cccc2c(C(=O)NNC(=O)CC(C)(C)C)n[nH]c12	289586233	UGVZJIZGGGWZKW-UHFFFAOYSA-N	304.350	1.769	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(C(=O)OC)c(OC)c1	281207778	SLCJTULEWYVNSE-MDZDMXLPSA-N	304.302	1.864	50	20	DDGD	
COCCOc1cncc(C(=O)NNc2ccc(OC)cc2)c1	282428336	HJWHINMAFAJUED-UHFFFAOYSA-N	317.345	1.872	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2CCN(C3CC3)CC2)c(O)c1	283021080	SVBBGPFANDDSRS-UHFFFAOYSA-N	317.389	1.336	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCCC[C@H]1COC(=O)N(C)C	287944930	XZFVBEBAYAQNHB-XSNHNAGMSA-N	309.366	1.510	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)c2cc(C)n[nH]2)c1F	285754714	IDKSIWTUUKVYQS-UHFFFAOYSA-N	320.324	1.260	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(CN2CCCC2=O)cc1	286199407	DJMTUWIMRKUGCX-UHFFFAOYSA-N	305.334	1.152	50	20	DDGD	
COCC(C)(C)CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	293777536	RGWRRAYMCKEMCO-MKMNVTDBSA-N	314.389	1.901	50	20	DDGD	
COCCNC(=O)c1ccc(NCCSSC)nc1	804699811	ZWMZDXMKLMLDMU-UHFFFAOYSA-N	301.437	1.881	50	20	DDGD	
C[C@H]1CC(=NNC(=O)[C@H](C)CN2CCOCC2)c2ccccc21	807957592	RJDKSHPFHMPXDK-UONOGXRCSA-N	315.417	1.982	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2ncnc3ccsc23)n1	293480734	VQJVYJFFNAMPDJ-UHFFFAOYSA-N	303.351	1.368	50	20	DDGD	
C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)NNc1nnc[nH]1	293800713	DFFLDGIZWFIRBF-SSDOTTSWSA-N	315.255	1.734	50	20	DDGD	
C=C(CBr)COC(=O)c1cc(C)nc(NC)n1	805616887	MZVBCVSKXXLTHI-UHFFFAOYSA-N	300.156	1.935	50	20	DDGD	
O=C(Cc1csc2ccccc12)NNC(=O)[C@@H]1CCCO1	292097969	HNDLABHEXQZKSL-LBPRGKRZSA-N	304.371	1.770	50	20	DDGD	
CSSCCNC(=O)N1CCOCC2(CCOCC2)C1	807233312	VKNRMJHERPVDQH-UHFFFAOYSA-N	320.480	1.836	50	20	DDGD	
COCCN(C)NC(=O)c1cc(Br)c(C)nc1O	808071699	JBSRFOJTJADTKH-UHFFFAOYSA-N	318.171	1.081	50	20	DDGD	
Cn1c(=O)oc2c(NC(=O)NNc3cccc(F)n3)cccc21	806364057	MMCPFRTUNWRZBD-UHFFFAOYSA-N	317.280	1.814	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1ccc2nccn2c1	804952005	DBAJGFIMSHTNOG-UHFFFAOYSA-N	320.316	1.067	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1n[nH]c2ccc([N+](=O)[O-])cc12	804772321	FZILVZUTTWLQDK-UHFFFAOYSA-N	316.252	1.762	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C(C)(F)F)cc1OC	292576825	FPBSQHVKWHWZHO-UHFFFAOYSA-N	302.277	1.510	50	20	DDGD	
COCC(C)(C)CNC(=O)NNc1cccc(NC(C)=O)c1	297997432	NVHKFTJGOGNNRU-UHFFFAOYSA-N	308.382	1.944	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@@H](c1ccccc1)C(F)F	296641805	BVBSVDFMKWUYST-QWRGUYRKSA-N	313.304	1.502	50	20	DDGD	
COc1ncc(C(=O)NNc2ccc([N+](=O)[O-])cc2C)cn1	805375557	POVHCUSYWDPIMH-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
Cc1cccc(O[C@@H](C)CNC(=O)NNC(=O)[C@@H]2CCCO2)c1	293622058	YXOXJBYLLVQWBC-JSGCOSHPSA-N	321.377	1.272	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)c1cccc2ncccc12)C1CCC1	813444966	XCCHAGZVACFNGH-KRWDZBQOSA-N	313.357	1.547	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cn(C)c(=O)nc1O	812768348	PHPHIWYOMJYYFV-UHFFFAOYSA-N	316.361	1.675	50	20	DDGD	
CC(=NNC(=O)Cc1ccncc1)c1cccc(-n2cnnc2)c1	814862937	YEVXQUPOTKDMFM-UHFFFAOYSA-N	320.356	1.745	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)[C@H]2CC23CCC3)cc1	812731845	WYQHYQRTCFKLBL-CYBMUJFWSA-N	323.418	1.570	50	20	DDGD	
COc1cccc(CCC(=O)NNc2ncncc2F)c1OC	817081015	NISUYNUFAJKISI-UHFFFAOYSA-N	320.324	1.709	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc(N)c([N+](=O)[O-])c1	726134780	NFGBWZSKURIHGY-UHFFFAOYSA-N	311.367	1.084	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)c2csnn2)c(OC)c1	814839794	WFHYFRSSOZIKCI-UHFFFAOYSA-N	306.347	1.709	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@@H]2CCCCCC(=O)C2)n1	813515157	UNYMUSVUGKATLN-MRVPVSSYSA-N	311.773	1.695	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)Cc1c[nH]c2ccccc12)C1CCC1	813365590	JBTROLWYCMDVGZ-QGZVFWFLSA-N	315.373	1.409	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNC(=O)c1cccc(C#N)c1	810346600	DIWTUAJGAJBQFS-UHFFFAOYSA-N	303.321	1.543	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@H]1C[C@@H](c2ccccc2)OC1=O	813424052	FKOXGFWNZWZUPN-OLZOCXBDSA-N	317.345	1.031	50	20	DDGD	
CCOCC(=O)NN=C(C)CCc1ccc(OCC(=O)O)cc1	814842105	RVFCJXSNAAEGMV-UHFFFAOYSA-N	322.361	1.611	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1C[C@@H](C)C[C@@H]1c1cccnc1	828868316	MDBJXRVRMNNMCH-GXTWGEPZSA-N	304.394	1.268	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cc(F)c(F)c(F)c1	728611942	GSTJLYYPJSOWIB-UHFFFAOYSA-N	300.158	1.817	50	20	DDGD	
COc1ccc(Cl)cc1C(F)(F)C(=O)NN(C)C[C@@H](C)O	822557498	LWJKPQJZKVTCCK-MRVPVSSYSA-N	322.739	1.784	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cc2cccn2cn1	824437534	VCTYGKWJIKIWIZ-UHFFFAOYSA-N	303.391	1.243	50	20	DDGD	
Cn1c(=NNC(=O)/C=C\[C@@H]2CCOC2)sc2ccccc21	822362691	AZLZKQWJWFDNDI-NXGUTKRESA-N	303.387	1.764	50	20	DDGD	
Cn1ccc(/C=C(/C#N)C(=O)NCc2ccc(F)cc2F)n1	490689929	BYOMBSYFMAKKCA-WDZFZDKYSA-N	302.284	1.922	50	20	DDGD	
CC(C)(C)N1CC[C@@H](NC(=O)NNc2ccc(F)cc2)C1=O	827356697	IMWDWBLXWMECOW-GFCCVEGCSA-N	308.357	1.851	50	20	DDGD	
CCCONC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	828226292	CDGBJHHCBDAFQB-LBPRGKRZSA-N	309.366	1.743	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cnn(Cc2ccccc2Cl)c1	823982925	HCNQBJJFCLEVDZ-NSHDSACASA-N	322.796	1.542	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1C[C@H]1Cc1ccccc1	826075923	GXXXZDXPEUCOJJ-PMOUVXMZSA-N	317.389	1.373	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H]2CNC(=O)C[C@@H]2C(F)(F)F)n1	824862939	KFTZEZKKVYCXEX-IUCAKERBSA-N	316.283	1.148	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)[C@H](C)c1ccccc1	826121574	MQZPFFBQBCKGMI-RMRHIDDWSA-N	319.405	1.934	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CN(C)C(=O)OCc1ccccc1	496321622	FVYPUILHHHHLRT-UHFFFAOYSA-N	321.377	1.449	50	20	DDGD	
CCCOc1ccc([C@@H](C)NCc2ccc(B(O)O)o2)cc1	585019240	HDYWNZVGWAXVRX-GFCCVEGCSA-N	303.167	1.599	50	20	DDGD	
O=C(CNC(=O)N1CCCC1)NNc1c(F)cccc1Cl	907462238	UMFRAFKIMLTMHQ-UHFFFAOYSA-N	314.748	1.728	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@@]1(Cl)C[C@H]2CC[C@H]1O2	907030635	YZFNYQUNYIPFKC-XJKCOSOUSA-N	322.792	1.614	50	20	DDGD	
Cc1ncc(/C=C\C(=O)NNc2cc(Cl)nc(N)n2)s1	492688614	QEBLBRVITAGQGM-IHWYPQMZSA-N	310.770	1.634	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2nn(C)c3c2CCCC3)n1	826585817	REEBNBVWXHLWJN-UHFFFAOYSA-N	316.365	1.163	50	20	DDGD	
Cc1nc(-c2cccc(C(=O)N3CC[C@@H](B(O)O)C3)c2)cs1	585068827	FOHXGEDVGHZSRX-CYBMUJFWSA-N	316.191	1.807	50	20	DDGD	
Cc1cc(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)sn1	826270040	IMSYCPDQXLPGTB-UHFFFAOYSA-N	316.350	1.780	50	20	DDGD	
CCc1oc(/C=C(/C#N)C(=O)N[C@H](C)COC)cc1C(=O)OC	490911579	VJKYELVCNZZFOK-CHPNCVJKSA-N	320.345	1.687	50	20	DDGD	
CCOC(=O)CCN(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	491044577	CJAYOXZNACNYFO-RAXLEYEMSA-N	302.330	1.711	50	20	DDGD	
CC(C)[C@H](CC(F)(F)F)NC(=O)c1cccc(B(O)O)c1	584979494	VOTZGQHEMRFVKP-NSHDSACASA-N	303.089	1.073	50	20	DDGD	
O=C(CCCCc1ccccc1)NNC(=O)N1CCOCC1	900427281	WZLIHGANKCBNTG-UHFFFAOYSA-N	305.378	1.472	50	20	DDGD	
C=CCNC(=S)NNC(=O)/C=C\c1ccc(OC)c(OC)c1	490823802	SDMCPCQPXXATMS-VURMDHGXSA-N	321.402	1.398	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCSC[C@H]1C1CC1	831778523	QVKFKIPITUJIPQ-YPMHNXCESA-N	313.467	1.396	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@](C)(O)C2CCC2)c(F)c1	837207732	ZRNAWZHNUOHPMB-HNNXBMFYSA-N	310.325	1.607	50	20	DDGD	
Cn1ccnc1[C@@H]1CCN(C(=O)[C@@]2(C)C[C@@H]2Br)C1	907133376	RRAQJZBBBCGTSZ-NRUUGDAUSA-N	312.211	1.910	50	20	DDGD	
COc1ncc(C=NNC(=O)CNC(=O)OC(C)(C)C)s1	497072841	NORDMPAWDNFJMF-UHFFFAOYSA-N	314.367	1.127	50	20	DDGD	
CC(C)c1nc(CCNCc2ccccc2B(O)O)cs1	585021532	WLUGMKVMFFPTLJ-UHFFFAOYSA-N	304.224	1.279	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(CO)o2)cc1C	739413186	MGAUXAUMCSHNLG-UHFFFAOYSA-N	315.329	1.478	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CC2(O)CCCC2)c1F	837060282	KVBFLWZATOWYEA-UHFFFAOYSA-N	310.325	1.751	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2CCN(C)CC2)cc1F	909360139	ZBKSOKUQQNNEBA-UHFFFAOYSA-N	309.341	1.397	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	837476020	VIRLPRDIMSZOLH-YUTCNCBUSA-N	300.358	1.300	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cnn([C@@H](C)C2CC2)c1	831700722	NSKCWRMBMOCYIT-KWBADKCTSA-N	321.381	1.432	50	20	DDGD	
Cc1ccc(C[C@H](C)NCc2ccc(B(O)O)cc2F)s1	585028025	GZZCMKICFMLLDC-JTQLQIEISA-N	307.199	1.596	50	20	DDGD	
C[C@H]1CN(C(=O)[C@]2(C)C[C@H]2Br)C[C@@H](C)[S@]1=O	907700474	NQXINEBICWOBGE-BPXSLLDFSA-N	308.241	1.528	50	20	DDGD	
CCC[C@H]1C[C@H](c2nc(-c3cccc(B(O)O)c3)no2)CCO1	585052913	APQAMJYCHOHDLU-OCCSQVGLSA-N	316.166	1.479	50	20	DDGD	
C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1cccc(B(O)O)c1	584947093	GIZRXRIAVPCIOR-CJNGLKHVSA-N	309.174	1.385	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCOc3c(Cl)cccc32)cc1	585018960	XXBRCMOMSYXXJS-HNNXBMFYSA-N	317.581	1.633	50	20	DDGD	
Cc1sc(CC(=O)Nc2cccc(B(O)O)c2)nc1C(C)C	584913977	NCDPWOIKDZBTQP-UHFFFAOYSA-N	318.207	1.436	50	20	DDGD	
Cc1cc(CNC(=O)NNc2cc(C(F)(F)F)ccn2)n[nH]1	836316768	RWUIGEZENIQMKB-UHFFFAOYSA-N	314.271	1.958	50	20	DDGD	
CCc1nc(CNC(=O)NNC(=O)c2ccccc2C)co1	836193373	UAQBHSVOOQEQFX-UHFFFAOYSA-N	302.334	1.690	50	20	DDGD	
CO[C@H]1CC(=NNC(=O)CNC(=O)c2ccco2)C12CCC2	834953022	UIOKAGVUIDIEOV-LBPRGKRZSA-N	305.334	1.071	50	20	DDGD	
COCCN1[C@H]2CC[C@H]1CC(=NNC(=O)[C@H]1CCCCO1)C2	834985294	KALASROCIPCNTH-SOUVJXGZSA-N	309.410	1.301	50	20	DDGD	
O=C(CC1CCCC1)N1CCCN(S(=O)(=O)CCl)CC1	830422426	CBLHLRRZMMGCQC-UHFFFAOYSA-N	322.858	1.627	50	20	DDGD	
CCCC(CCC)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	839226359	VKKOTALAOGMOFP-ZDUSSCGKSA-N	304.456	1.695	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H](C)Cc1cnn(C)c1	837313158	JLPGXOVJYMTWEH-GFCCVEGCSA-N	300.362	1.368	50	20	DDGD	
COc1cccc(OC)c1C(=O)NNC(=O)[C@H]1CCCCO1	833251462	YCWPQQYRPAUZMT-GFCCVEGCSA-N	308.334	1.034	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNC(=O)Nc2ccccc2C)C1	838748721	MTTRJRAAFJLHRS-TXEJJXNPSA-N	306.366	1.898	50	20	DDGD	
C[C@]1(C(=O)NCc2nc(C(F)F)no2)C[C@H]1Br	911271478	UUOQDSKQMIFWDD-MOFOKWOHSA-N	310.098	1.797	50	20	DDGD	
COc1ncnc(N)c1C=NNC(=O)C(C)(C)c1ccccc1	747631199	DKHUMHQDVYKCHS-UHFFFAOYSA-N	313.361	1.495	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)C(=O)NNc1nc2ccccc2n1C	848381077	GFWMIJOVYLQYQY-LLVKDONJSA-N	312.377	1.629	50	20	DDGD	
O=C(NN=C1CCn2cccc21)c1cc([N+](=O)[O-])ccc1O	741773597	HKKJCOWAURLWQQ-UHFFFAOYSA-N	300.274	1.640	50	20	DDGD	
CC(=O)c1ccc(CC(=O)NNC(=O)Cc2ccncc2)cc1	747325234	WWANJMPCQBIOLW-UHFFFAOYSA-N	311.341	1.217	50	20	DDGD	
O=C(CC1CC1)NN[C@@H](C(=O)NC1CC1)c1ccc(F)cc1	842149898	PZGRAQXDDMXGQR-OAHLLOKOSA-N	305.353	1.566	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](CCCN)c2ccccc2)nn1	841995421	HXKYBOZNSBUBKF-CQSZACIVSA-N	314.393	1.891	50	20	DDGD	
CC1CCN([C@@H](C)CNC(=O)NNC(=O)C2CCCC2)CC1	743333929	GYYOQTRQEXUUHK-ZDUSSCGKSA-N	310.442	1.627	50	20	DDGD	
CCOc1cc(C=NNC(=O)C(=O)N2CCCC2)ccc1OC	748137417	FNDRHIHHFSRIHK-UHFFFAOYSA-N	319.361	1.166	50	20	DDGD	
Cn1c(NNC(=O)[C@@H]2CCc3n[nH]cc3C2)nc2ccccc21	848379274	GCHVRDGSIOVBGG-SNVBAGLBSA-N	310.361	1.545	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H](C)CN1CCCCCC1	747725969	PSGCFYCWHQWOOO-GFCCVEGCSA-N	300.472	1.402	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C1CCS(=O)(=O)c2ccccc21	842560369	XFSTXHQSXSJZLB-QWRGUYRKSA-N	322.386	1.109	50	20	DDGD	
CCn1c(O)nc2ccc(C(=O)NNC(=O)OC(C)(C)C)cc21	847283868	OXGMSOFGVXPFOV-UHFFFAOYSA-N	320.349	1.931	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C(C)(C)c1ccccc1)c1cnn(C)c1	749986324	PCPCYLOUIUTZAC-LBPRGKRZSA-N	314.389	1.649	50	20	DDGD	
Cc1onc(-c2cccc(F)c2)c1C(=O)NN(C)[C@@H](C)CO	911445533	XMXHTBPXXDTGNU-VIFPVBQESA-N	307.325	1.747	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNc2ccnc(N(C)C)n2)c1	743485173	XJAVRPATFKVWIO-UHFFFAOYSA-N	316.321	1.516	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2ccc(O)c(O)c2O)cc1	916326733	MTERLMYDLPPALS-UHFFFAOYSA-N	316.313	1.641	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(Cl)c(F)c1)N1C(=O)CCC1=O	748890693	LUJAGTNXBGIORX-SSDOTTSWSA-N	313.716	1.460	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)c2ccc(CCCCl)cc2)C[C@H]1N	842806492	MYYYPOIEXSQRGB-BXUZGUMPSA-N	316.854	1.826	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cnn(CC#N)c1	746183473	IMVKUVACGPDUCW-UHFFFAOYSA-N	306.757	1.711	50	20	DDGD	
O=C(CCCOc1cccc(F)c1)NNC(=O)c1cccnc1	918279097	MOXMLOIVRBQGPF-UHFFFAOYSA-N	317.320	1.841	50	20	DDGD	
CCOc1ccc(C=NNC(=O)C(=O)NC(CC)CC)cc1	740763103	XNHOIZZLHCAOIC-UHFFFAOYSA-N	305.378	1.840	50	20	DDGD	
CC(C)OC(=O)C[C@H](NC(=O)NNC(=O)C(C)(C)C)C(C)C	848645215	CURVCAMDAVSCPD-NSHDSACASA-N	315.414	1.729	50	20	DDGD	
O=C(Cn1ccnc1[C@H](O)C1CCCCC1)NNC(=O)C1CC1	849948245	QCMJUDZEXQSZMC-CQSZACIVSA-N	320.393	1.054	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1CNCCC1(F)F	843358757	YNBSTKCKKIGRNN-QMMMGPOBSA-N	300.265	1.283	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CCO[C@H]2C)ccc1[N+](=O)[O-]	842562363	PMFSKANSKPXLRJ-ONGXEEELSA-N	307.306	1.479	50	20	DDGD	
Cn1c(NNC(=O)C(C)(C)N2CCOCC2)nc2ccccc21	848380651	MRNIHKKIODKTAK-UHFFFAOYSA-N	317.393	1.127	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(F)c(F)c1F)S(C)(=O)=O	748218086	YLXNKDCCFDNSRX-UHFFFAOYSA-N	310.297	1.370	50	20	DDGD	
O=C(NNc1ccccc1F)c1cn(Cc2ccccn2)nn1	748050760	SVNOBHGPZSFRGK-UHFFFAOYSA-N	312.308	1.617	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1ccc(F)nc1	746094115	AFBGNSVRJISHIR-UHFFFAOYSA-N	319.292	1.069	50	20	DDGD	
NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ccc(Br)cc1	847599876	VCGVDKUIYRFDDT-ZJUUUORDSA-N	312.167	1.404	50	20	DDGD	
CCOC(=O)[C@H]1CCN(S(=O)(=O)CC(C)(C)CCl)C1	921725591	MOWXHYANYBVUEG-JTQLQIEISA-N	311.831	1.466	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	842562960	ZZPDBQWRQAABGL-KCJUWKMLSA-N	322.277	1.378	50	20	DDGD	
O=C(NN=Cc1cc2c(cc1O)OCO2)c1ccccc1O	920361097	GHYCVIKHCUREJD-UHFFFAOYSA-N	300.270	1.590	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NCCCN2CCNCC2)c(C)c1	841919113	HYDJYWCFZTXRKU-UHFFFAOYSA-N	319.453	1.533	50	20	DDGD	
Cc1ncoc1CNC(=O)NC[C@]1(C)C[C@H]1Br	923371644	CQSHYHPBKSAONR-KOLCDFICSA-N	302.172	1.956	50	20	DDGD	
CCC[C@H](O)CC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	750068917	VSBIUZKUWPZANU-MNOVXSKESA-N	312.341	1.292	50	20	DDGD	
Cc1cccc(C)c1OCCC(=O)NNC(=O)c1cc[nH]n1	855359548	WMKVNDGMMMTLEX-UHFFFAOYSA-N	302.334	1.257	50	20	DDGD	
CC(C)C[C@H](CNC(=O)NNC(=O)C(C)(C)C)CC(=O)O	851653360	JJEVMLIICRIVAZ-JTQLQIEISA-N	301.387	1.500	50	20	DDGD	
O=C(CNC(=O)C1CC1)OC[C@@H](CBr)C1CC1	859496066	CCDOZXVKWLKGSN-SNVBAGLBSA-N	304.184	1.477	50	20	DDGD	
CC(C)c1cccc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)c1	853302457	COAGWPAMZHIIGX-NSHDSACASA-N	311.407	1.198	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC2CCC(N(C)C)CC2)c1	858549126	SIBNGJQHJLAATE-UHFFFAOYSA-N	324.450	1.873	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)COc1ccccc1OC)C1CC1	858126694	GLRVVUDASKZELN-OAHLLOKOSA-N	322.361	1.037	50	20	DDGD	
C[C@@]1(CNc2ncc([N+](=O)[O-])c(N)n2)C[C@@H]1Br	856784720	AUUVFTKXPSXDGT-RCOVLWMOSA-N	302.132	1.552	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@@H]2C)cc1	858142036	VLYNZTWJEIXLHX-QCQGSNGOSA-N	320.389	1.581	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1nc(-c2ccccc2)cs1	750673687	CNHSPFPQCOVWRV-UHFFFAOYSA-N	304.375	1.703	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@H]2CCCC(=O)N2)c1C	855624268	IBNJIYGWWQRWAC-LLVKDONJSA-N	319.361	1.284	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cncc(F)c2)cc1OC	759108760	CRPARXAMCTZSMT-UHFFFAOYSA-N	319.292	1.313	50	20	DDGD	
COC1(CNC(=O)NNC(=O)c2cc(C)cs2)CCCC1	858494156	DULLNIMFEVEYLQ-UHFFFAOYSA-N	311.407	1.960	50	20	DDGD	
CCN1CCOC[C@@H]1C(=O)OC[C@@H](CBr)C1CC1	859619783	VWULVUVMMJHAJB-VXGBXAGGSA-N	320.227	1.671	50	20	DDGD	
O=C(CNc1cccc(Cl)c1)NNC(=O)CC(F)(F)F	855002391	ULTAOCWNBMEQOR-UHFFFAOYSA-N	309.675	1.852	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](CC)Cc1ccc(F)cc1	854281741	KLNUEYMLGYGJDC-ZDUSSCGKSA-N	311.357	1.514	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@H]1CCCN1CC(F)(F)F	921599294	QSUFAZBSMDSCSU-SECBINFHSA-N	322.780	1.561	50	20	DDGD	
CCOCCn1cc(C(=O)NNc2cc(C)nc(C)n2)cn1	857131254	TYUQDSOQWFSNKE-UHFFFAOYSA-N	304.354	1.083	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(N(C)C)c(Cl)c1	756474230	HRDLNPJCMKYTCU-UHFFFAOYSA-N	300.746	1.205	50	20	DDGD	
C[C@]1(CNC(=O)NNc2ncncc2F)C[C@@H]1Br	856898278	ZSLPZTQGIMHLJP-OIBJUYFYSA-N	318.150	1.415	50	20	DDGD	
CO[C@@H]1CCCC(=NNC(=O)CCCNC(=O)C(C)(C)C)C1	853408014	HQRXUANZYQQACR-CYBMUJFWSA-N	311.426	1.990	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCc1nnc2n1CCCC2	853451061	XSIOIXOGZRKZJO-UHFFFAOYSA-N	318.356	1.888	50	20	DDGD	
O=C(COC1CCOCC1)NNc1ccc([N+](=O)[O-])cc1F	855621402	RESFKPSFAWUGMP-UHFFFAOYSA-N	313.285	1.373	50	20	DDGD	
Cc1nn2cccnc2c1C(=O)NC[C@@]1(C)C[C@@H]1Br	857399834	GLWASZOIBJBXNV-TVQRCGJNSA-N	323.194	1.941	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1sc(C)nc1CC(C)C	854924832	UOTMRDUMMPUHCC-UHFFFAOYSA-N	300.453	1.731	50	20	DDGD	
CC(C)(O)CN1CCC(=NNC(=O)c2cccc(F)n2)CC1	853442664	AUUSCIXJPINNIZ-UHFFFAOYSA-N	308.357	1.173	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)NC1CC=CC1	759719659	ZXDGRHXRBPGCCY-UHFFFAOYSA-N	305.334	1.123	50	20	DDGD	
C[C@@H](CN1CCCC1=O)NC(=O)NNc1ccc(Cl)cn1	852126145	VQAKWTPJXWAUQE-VIFPVBQESA-N	311.773	1.372	50	20	DDGD	
CN(C)[C@@H]1CCC[C@H](NC(=O)NNc2ncc(Cl)cn2)C1	856877258	ZHRKYDSQTHZXCK-WDEREUQCSA-N	312.805	1.629	50	20	DDGD	
CCC[C@@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1	858121684	DVGLFLRDKNFAMI-OLZOCXBDSA-N	318.377	1.137	50	20	DDGD	
CC(C)[C@H](CCO)NC(=O)NC[C@]1(C)C[C@@H]1Br	856956637	SIJLFBWHECWKFJ-NHCYSSNCSA-N	307.232	1.866	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cccc(OCC(F)(F)F)c1	854923417	VFSOZZSPNANLBJ-UHFFFAOYSA-N	321.324	1.709	50	20	DDGD	
Cc1ccoc1CC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	854218026	RPZIZBMLQGYMSR-NSHDSACASA-N	320.320	1.885	50	20	DDGD	
COc1cnc(C(=O)NC[C@@]2(C)C[C@@H]2Br)nc1	857387865	NWBNGAWMTZBKJX-GZMMTYOYSA-N	300.156	1.389	50	20	DDGD	
CCn1cc(C(=O)NNc2cccc(S(C)(=O)=O)c2)c(C)n1	860624586	BWGHWYUPTJMZHN-UHFFFAOYSA-N	322.390	1.372	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2cccc(F)c2OC(F)F)N1	863151252	JITUSZOYTOGQKB-VIFPVBQESA-N	315.251	1.156	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2cncc(N3CCCC3)n2)c1	866867901	YFCNVYAXPSBORX-UHFFFAOYSA-N	308.345	1.705	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H](O)[C@@H](C)c2ccccc2F)n1	864688862	AQJCIBSXMCNFRM-SMDDNHRTSA-N	318.352	1.840	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc2c(cc1OC)CCC(=O)N2	767959541	MYGIBWUZEUHLRE-UHFFFAOYSA-N	306.322	1.143	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N2C[C@H]3CC=CC[C@H]3C2)c1	868209165	FBGNSANAGKUCII-GASCZTMLSA-N	310.357	1.811	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H](O)[C@H](C)c1ccc(C)cc1	764881352	PPYUKTXRQBXZRK-OCCSQVGLSA-N	307.394	1.590	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cnc(CC(C)C)s1	932224945	BYTOLLFIDFMUJI-UHFFFAOYSA-N	307.379	1.448	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)C[C@H]2COC(=O)C2)cc1	764567237	UZSKCPMXRKDNMF-LLVKDONJSA-N	322.386	1.188	50	20	DDGD	
CC[C@@H](C)c1ccc(S(=O)(=O)NNC(=O)c2cn[nH]c2)cc1	863413297	DYPBLFQVURRCID-SNVBAGLBSA-N	322.390	1.547	50	20	DDGD	
CC(=O)Nc1cc(NCc2cccc(B(O)O)c2)ccc1F	864019352	CARDNKBBOMJUNB-UHFFFAOYSA-N	302.114	1.076	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2CCN2C2CCCC2)n1	862468297	GENXXODPRLYOEM-AWEZNQCLSA-N	302.378	1.168	50	20	DDGD	
O=C(NNc1cccc(F)c1Cl)[C@@H]1CCCS(=O)(=O)C1	862507398	CUSHWABBXXTVFD-MRVPVSSYSA-N	320.773	1.747	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc(C)c2c1CCC2	1117757374	UMZNCQQPXPXOLT-UHFFFAOYSA-N	323.487	1.956	50	20	DDGD	
C[C@H]1CN(C(=O)c2ccc(CNC(=O)CCl)cc2)C[C@@H](C)O1	1116433948	GYPLFPORXAYRRE-TXEJJXNPSA-N	324.808	1.791	50	20	DDGD	
COc1ccc(CC(=O)NNc2nccnc2OC)cc1OC	764471457	VJBGXDLFAGWKQT-UHFFFAOYSA-N	318.333	1.188	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCC[C@H]2CCOC2)cc1	1117810182	YSJHTNLOTFUORC-LBPRGKRZSA-N	321.377	1.456	50	20	DDGD	
Cc1cc(F)cc2c(=O)c(C(=O)NNC(=O)C(C)C)c[nH]c12	768929181	FABZMCSOQFKGHL-UHFFFAOYSA-N	305.309	1.393	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CC[C@H](O)[C@@H]3CCCC[C@H]32)cn1	871196225	FZEQFEKFBKHYKS-NOBOXSFCSA-N	314.389	1.479	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(Cl)ccc1F)N1CCN(C)CC1	871272082	JWUWQJOXNCYTMA-JTQLQIEISA-N	314.792	1.558	50	20	DDGD	
O=C(NNc1ccc(F)cn1)C1CCN(CC(F)F)CC1	874648707	ZEPXEBFULWARGF-UHFFFAOYSA-N	302.300	1.641	50	20	DDGD	
C[C@H]1CCCC[C@H]1NCC(=O)NNC(=O)c1ccc(C#N)cc1	771790486	BPFRQBURYALDSV-SWLSCSKDSA-N	314.389	1.488	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H]1Cc2ccccc2O1	777829177	UDHXXNBDPASIOU-OAHLLOKOSA-N	312.325	1.920	50	20	DDGD	
C#CCOc1cccc(Cl)c1C=NNC(=O)C(=O)NC1CC1	777429051	AVGDIUBTXRNCPX-UHFFFAOYSA-N	319.748	1.081	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H](C)n2cncn2)c1	873753783	CXLVFGMLFKAIHE-LLVKDONJSA-N	318.406	1.474	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874952733	FSXVXFQZCULJQB-HNNXBMFYSA-N	322.434	1.397	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(OC(F)F)cn2)o1	773273116	MFPKRUQNHMEDLC-UHFFFAOYSA-N	311.244	1.659	50	20	DDGD	
C=C[C@H](O)C(=O)NNC(=S)Nc1ccc(OC(C)C)cc1	874951753	XVNODZJWVXHJJO-LBPRGKRZSA-N	309.391	1.338	50	20	DDGD	
CN(NC(=O)c1ccccc1CSC1=NCCS1)C(N)=O	778415196	SPYZHINESGSKKC-UHFFFAOYSA-N	324.431	1.678	50	20	DDGD	
Cc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)Cc1cccnc1	772224309	NZPYWCIDXCLIPI-UHFFFAOYSA-N	314.301	1.302	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1ncc(Cl)s1	1116869400	ABDXPGAOVLKLTK-UHFFFAOYSA-N	322.737	1.998	50	20	DDGD	
COC(=O)[C@@H](C)SCC(=O)NNC(=O)c1ccc(C)cc1	777504094	QDSPTXRQKRQOKW-SNVBAGLBSA-N	310.375	1.051	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)COC(C)(C)C)cc1	874952836	IZPOEAHWVNSAQE-UHFFFAOYSA-N	324.450	1.885	50	20	DDGD	
CON=CC(=O)NNC(=O)CSc1ccc(Cl)cc1	774323709	SYUHPPYZMPUEMS-UHFFFAOYSA-N	301.755	1.212	50	20	DDGD	
C#CCOc1ccc(NC(=O)NNc2nccc(OC)n2)cc1	775608732	GWFWBSRGSUHPCY-UHFFFAOYSA-N	313.317	1.646	50	20	DDGD	
CC1=CCC[C@@H](C)[C@@H]1C=NNC(=O)Cc1cc(O)nc(O)n1	773202873	DOMNKQOHCYJYMQ-ZYHUDNBSSA-N	304.350	1.525	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1F)[C@@H]1CC(=O)N(C2CC2)C1	885150778	KIQXVJZAOJZOHA-SSDOTTSWSA-N	313.279	1.558	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)CCC2CCCC2)o1	882709035	XPZNABYBIXXNDZ-UHFFFAOYSA-N	300.380	1.733	50	20	DDGD	
CCNC(=O)c1ccc(CNS(=O)(=O)CCCCl)cc1	881789925	PLIKGYPEUCKPJK-UHFFFAOYSA-N	318.826	1.485	50	20	DDGD	
O=C(NNC(=O)c1cccc2ncccc12)c1ccc(O)cc1O	780933343	KMTXCJLUTMSVHG-UHFFFAOYSA-N	323.308	1.721	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1CCN(C2CCCCC2)C1	887144252	HBFNULFCOYAYRJ-CQSZACIVSA-N	305.422	1.592	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H]1CC12CCOCC2	780737855	DIJIOJOWPUVDQQ-GFCCVEGCSA-N	304.346	1.733	50	20	DDGD	
Cc1cccnc1C=NNC(=O)COc1ccccc1[N+](=O)[O-]	781580928	ABBSYYNDCBMNOZ-UHFFFAOYSA-N	314.301	1.827	50	20	DDGD	
Cc1cnc(Cl)c(NC(=O)NNC(=O)c2ccncc2)c1	787454698	CSCWYRJDCFENIX-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
COCC(=NNC(=O)COc1cccc(C)c1)C1CCOCC1	780195684	WXPLMFJOZGYQGE-UHFFFAOYSA-N	320.389	1.919	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H](C)[C@@H]2CCCOC2)c1	780863152	RTGYBKXPAADBEG-WCQYABFASA-N	321.377	1.914	50	20	DDGD	
CC(C)Nc1ccc(C(=O)NNC(=S)NC(C)(C)C)cn1	899995839	HFXBMFNABRLSLZ-UHFFFAOYSA-N	309.439	1.809	50	20	DDGD	
CC[C@](C)(OC)C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	796404682	ISFHAHYCFAFQLO-INIZCTEOSA-N	322.361	1.114	50	20	DDGD	
COc1coc(C(=O)NNc2ncnc3ccsc23)cc1=O	798980747	ZMBDPZITPKCPBW-UHFFFAOYSA-N	318.314	1.410	50	20	DDGD	
C#Cc1ccc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])nc1	790594318	FNOVPVZMDAKKSY-UHFFFAOYSA-N	300.249	1.867	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)C(=O)c1ccc(O)cc1	798153831	HWSJAWRDKRYFEG-UHFFFAOYSA-N	316.288	1.104	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2ccc3c(c2)CCCC3)CC1	793052118	ROIIDKDKLUDHJM-UHFFFAOYSA-N	300.406	1.856	50	20	DDGD	
CCc1ccnc(CNC(=O)NNC(=O)Cc2ccncc2)c1	798119201	XHCILAPJBUUWKA-UHFFFAOYSA-N	313.361	1.112	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2cnn(CC3CC3)c2)n1	797631254	LCKVAQYZHCFWAT-UHFFFAOYSA-N	314.349	1.463	50	20	DDGD	
COCc1ncc(C(=O)NNC(=O)Cc2ccc(F)cc2)s1	794784916	PPMDUZVJJMGHCI-UHFFFAOYSA-N	323.349	1.432	50	20	DDGD	
Cc1ccc2c(c1)CC[C@@H](C(=O)NNc1nnc(C)c(O)n1)O2	794906320	IZOPCNGKOMVGSQ-LBPRGKRZSA-N	315.333	1.031	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cccc(-n3ccnn3)c2)n1	794086626	UVSLIVBKNHZRJU-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
COc1ccc(C(=O)NNc2nc3ccccn3n2)nc1Cl	791259903	ZAKPDUABUWVGQM-UHFFFAOYSA-N	318.724	1.543	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1c[nH]nc1-c1ccncc1	791257891	PJALYLODOGMYOF-UHFFFAOYSA-N	320.316	1.271	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H]1CCCc2nn(C)cc21	798837142	FECNFWYBDCZRFZ-ZDUSSCGKSA-N	312.373	1.610	50	20	DDGD	
COc1ccc(NNC(=O)Cc2cccnc2C)c([N+](=O)[O-])c1	1327892308	WUVFVKPBOPIPBA-UHFFFAOYSA-N	316.317	1.993	50	20	DDGD	
O=C(NNC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)[C@@H]1CCCCO1	1328012933	GFXJCGWZFNQYLD-LZULQBLISA-N	322.405	1.034	50	20	DDGD	
CSSCCNS(=O)(=O)c1scnc1C(=O)O	397825271	ATJOAFHQXWNGTE-UHFFFAOYSA-N	314.435	1.131	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)NNc2ccncn2)C1	1324776994	GRGBDMWIMRSSJV-NSHDSACASA-N	321.381	1.567	50	20	DDGD	
CC1CCN(CCC(=O)NN=C2C[C@H](C)n3ccnc32)CC1	1324848709	GZMQYDCXQRVJEY-ZDUSSCGKSA-N	303.410	1.790	50	20	DDGD	
COC(=O)c1occc1C=NNC(=O)c1ccc(OC)cc1	1321446194	DDDWTXOAVYLTNY-UHFFFAOYSA-N	302.286	1.839	50	20	DDGD	
CC(C)(C)OC(=O)NC[C@H](O)C(=O)NNc1ccccc1F	1338919760	VCLRGCRKJLIEKW-NSHDSACASA-N	313.329	1.154	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCOC(C)(C)C1	1336484993	MKQIPYQZPPJTKM-LLVKDONJSA-N	316.398	1.128	50	20	DDGD	
C[C@H](OC1CCCCC1)C(=O)NNC(=O)Cc1cccnc1	1251853243	FOARMSMNLGYCQQ-LBPRGKRZSA-N	305.378	1.509	50	20	DDGD	
Cc1cc(C(=O)NNc2nccn(C)c2=O)nc2ccccc12	1339892295	QGSMAUDHQNLHHE-UHFFFAOYSA-N	309.329	1.394	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@]23CC[C@H](CC2=O)C3(C)C)o1	1349298915	LYAHADJDBWIWOB-HWPZZCPQSA-N	304.346	1.744	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)Cc1cc(C)ccc1F	1344098583	KIRXOXXIQMXECL-UHFFFAOYSA-N	323.368	1.129	50	20	DDGD	
Cc1cccc(C)c1CNC(=O)NNC(=O)C1CCNCC1	1345140089	DYGZGFZXYWDOPN-UHFFFAOYSA-N	304.394	1.133	50	20	DDGD	
NS(=O)(=O)C[C@@H]1CCCCN1C(=O)C1CCC(Cl)CC1	1263857576	ITYFVUMVWCMFNF-MCIGGMRASA-N	322.858	1.454	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)N[C@H]1CCC[C@H](F)C1	1349077135	QZIRFCGHBNJWHS-RYUDHWBXSA-N	311.332	1.979	50	20	DDGD	
C[C@H](NC(=O)NNc1c(F)cc(F)cc1F)c1nnnn1C	1351579897	YGEJXKVGAUUBNP-YFKPBYRVSA-N	315.259	1.015	50	20	DDGD	
CCN1CCOC[C@H]1C(=O)NNc1cccc([N+](=O)[O-])c1C	1353587984	YFJFQPYAQUGGPB-ZDUSSCGKSA-N	308.338	1.067	50	20	DDGD	
CC1(C)C[C@H](NC(=O)NNC(=O)c2cn[nH]c2)c2ccccc21	1351354332	WRDKKODAEKGXJG-ZDUSSCGKSA-N	313.361	1.776	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1cccc(-c2nn[nH]n2)c1	1605948067	NPLFNKFKNLTURF-UHFFFAOYSA-N	310.321	1.719	50	20	DDGD	
Cc1cc(/C=C(\C#N)C(N)=C(C#N)C#N)cc(C)c1OCC(=O)O	1607634418	HFVAGLAJSSWPRM-WLRTZDKTSA-N	322.324	1.934	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)cnc1C(=O)NCC(Cl)Cl	1605549303	VCJMXIXUSSVCFH-UHFFFAOYSA-N	301.137	1.104	50	20	DDGD	
N#C/C=C(\c1ccc(F)cc1)N1CC[C@]2(CC(C(=O)O)=NO2)C1	1601062829	KGQUEICAEUJUCK-RNDAEWJDSA-N	315.304	1.996	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)c1cnsn1	1606855739	FHHJQNCOHQXFTA-UHFFFAOYSA-N	322.741	1.129	50	20	DDGD	
Cc1ccc(C(=O)O)cc1NC(=O)NNC(=O)[C@H]1CCCO1	1607744036	WICBJCQSXKDLIA-LLVKDONJSA-N	307.306	1.025	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2cnc(Cl)cn2)cc1	1608781821	SMAZHZKZWAVTOJ-UHFFFAOYSA-N	306.709	1.514	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)N[C@@H]1CCO[C@@H](C2CC2)C1	1608483281	MCRUWWLVMISURN-TZMCWYRMSA-N	319.361	1.969	50	20	DDGD	
C[C@@](CO)(NC(=O)CCCC[C@H]1CCSS1)C(=O)O	1604190391	HAMQCVPBMBTZPF-CABZTGNLSA-N	307.437	1.652	50	20	DDGD	
Cc1c(NNC(=O)N=c2cc[nH]cc2F)cccc1C(=O)O	1607552105	GKQXGONUMHGWPN-UHFFFAOYSA-N	304.281	1.798	50	20	DDGD	
N#C[C@@]1(C(=O)NNc2ccc(C(=O)O)cn2)CC12CCCC2	1601050955	UIWBFRQFRFETIC-OAHLLOKOSA-N	300.318	1.697	50	20	DDGD	
COC(=O)[C@H](NNC(=O)C1CCCC1)c1cccc(C(=O)O)c1	1606343356	UPMOVBRTSJSKLL-CYBMUJFWSA-N	320.345	1.410	50	20	DDGD	
CO[C@H]1CCC[C@@H]1CNC(=O)NNc1cccc(C(=O)O)c1	1610230286	BHGMTCGAKBKCJI-YPMHNXCESA-N	307.350	1.826	50	20	DDGD	
Cc1n[nH]cc1C=NNC(=O)[C@@H]1CCCO[C@@H]1c1nccn1C	1549309610	PAGHJZCBGLXMBE-OLZOCXBDSA-N	316.365	1.070	50	20	DDGD	
CN(C)c1cc(C(=O)O)ccc1NC(=O)NNC(=O)C(C)(C)C	1610104964	PRZZXKFQIYMNNV-UHFFFAOYSA-N	322.365	1.650	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cccn1[C@@H](C)C(=O)O	1610000370	WHIIOKQHKJIBSS-LBPRGKRZSA-N	308.382	1.316	50	20	DDGD	
Cc1cc(C(=O)NN=C[C@@H]2CCCO[C@@H]2c2ccnn2C)n[nH]1	1552450371	WABKFUXHFDJKGC-FZMZJTMJSA-N	316.365	1.335	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@@H]2CCCNC2)c(C)c1	1579735259	JFVVHVKDBYMGAU-CYBMUJFWSA-N	321.446	1.543	50	20	DDGD	
CC1(C)CCN[C@@H]1C(=O)NNc1cc(Br)ncn1	1576442942	MNVQLQRYGJSLGH-SECBINFHSA-N	314.187	1.070	50	20	DDGD	
CCc1ccc([C@H](C)CC(=O)NNC(=O)[C@H]2CCCNC2)cc1	1578253827	NIPNHRUECFLWRW-CJNGLKHVSA-N	317.433	1.890	50	20	DDGD	
CC1CCC(OCC(=O)NNc2ncccc2C(=O)O)CC1	1589313608	ZZJLPOCGECXLKK-UHFFFAOYSA-N	307.350	1.818	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1cc2c([nH]1)CCCC2	1593162964	FGYZGKUUFKRWOZ-UHFFFAOYSA-N	324.348	1.226	50	20	DDGD	
COc1nccc(C(=O)NNc2ccc(C)c(C(=O)O)c2)n1	1599734401	FQCCKYAIKGDTCH-UHFFFAOYSA-N	302.290	1.249	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccc(F)c(-c3nn[nH]n3)c2)nc1	1592696794	FXWWOJDTFLWGIQ-UHFFFAOYSA-N	324.279	1.029	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=Cc2ccoc2C(=O)O)c1	1599450591	SDLZYQRHLGLLQB-UHFFFAOYSA-N	318.285	1.759	50	20	DDGD	
O=C(NCc1cccnc1)NNc1cccc(-c2nn[nH]n2)c1	1593146300	PCAKRIBEAJSZLU-UHFFFAOYSA-N	310.321	1.088	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCO[C@H]1C1CC1	1593161783	BMSVOTUIQUSXFK-OLZOCXBDSA-N	314.349	1.125	50	20	DDGD	
CC(C)OCCCNC(=O)/C(C#N)=C/c1ccc(C(=O)O)o1	1591722729	LRYHOCRHUSKJSA-DHZHZOJOSA-N	306.318	1.816	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=C(C)c1ccc(CC(=O)O)cc1	1776102791	YSGOVLQAJVFXFC-UONOGXRCSA-N	304.346	1.579	50	20	DDGD	
CC(C)(C#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl	1796804047	KHYRLUZDHKXKHK-LMLFDSFASA-N	315.776	1.709	50	20	DDGD	
Cc1occc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	16513332	ZADJNINBAQCLQK-SNVBAGLBSA-N	306.293	1.956	50	20	DDGD	
Cc1ccc(F)c(OCC(=O)NNC(=O)c2cc(C)n[nH]2)c1	153056266	JFDRVZVHIGTIGV-UHFFFAOYSA-N	306.297	1.006	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCC(=O)NCc1ccccc1	155179683	RIMLUEYFVUJSIN-UHFFFAOYSA-N	320.393	1.069	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1ncn(-c2ccccc2)n1	155274237	GOOFEILOQHVQKT-UHFFFAOYSA-N	313.361	1.609	50	20	DDGD	
COc1ccc(NNC(=O)C[C@](C)(O)c2ccccc2)nc1	159565636	CMIPXOIZVDXVMK-INIZCTEOSA-N	301.346	1.831	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)c2ccc[nH]2)c1OC	6991807	LRMGTIWIWUNRPR-UHFFFAOYSA-N	317.345	1.426	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)c1ccccc1	8350300	FVLJBHPUGPAJTF-UHFFFAOYSA-N	307.350	1.362	50	20	DDGD	
CCO[C@H]1CCCN(C(=O)NNC(=O)c2cccc(C#N)c2)C1	103517190	HWNFIBWNLWLGLM-AWEZNQCLSA-N	316.361	1.414	50	20	DDGD	
CC(Nc1ccc(SC#N)cc1)=C1C(=O)NC(=S)NC1=O	9771776	KWPTWWLIXFODLZ-UHFFFAOYSA-N	318.383	1.477	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNC(=O)Cc2cc[nH]n2)cc1	106417877	GESUUHRGGKETEG-UHFFFAOYSA-N	314.345	1.071	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H]2CCCCN2CC)cc1	104202668	SBGXKVPSLLWZCG-OAHLLOKOSA-N	303.406	1.884	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)Cc1cc[nH]n1)c1ccc(F)cc1	106416554	NQYAOZNZKNQQCC-JTQLQIEISA-N	304.325	1.433	50	20	DDGD	
NC(=O)[C@H](NNC(=O)c1ccc(Cl)cc1)c1ccccc1	26221960	ZCHDFVGLUFMYSN-CYBMUJFWSA-N	303.749	1.801	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@H](C(=O)NNc2nc(C)cc(C)n2)C1	173799786	ZECAQSGIOSMSPL-NWDGAFQWSA-N	306.366	1.516	50	20	DDGD	
O=C(COCC1CC1)NNC(=O)c1cc2ccccc2cc1O	60633529	MAZCEDPBOKKIMI-UHFFFAOYSA-N	314.341	1.733	50	20	DDGD	
COC[C@H](C)CNC(=O)NNC(=O)c1ccc(Cl)cc1F	177482340	KYENYIYEFUASKO-MRVPVSSYSA-N	317.748	1.706	50	20	DDGD	
C[C@@H](CN)N(C)S(=O)(=O)c1ccc(CCCCl)cc1	178956621	PIGKHENMVQHMAN-NSHDSACASA-N	304.843	1.826	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccn2C)c(OC)c1	61527348	SAHHBJYBVHYKQS-UHFFFAOYSA-N	303.318	1.117	50	20	DDGD	
COCCOc1ccccc1C(=O)NNc1nccnc1Cl	114896679	UCALEXNLWRBWFD-UHFFFAOYSA-N	322.752	1.912	50	20	DDGD	
CCn1cc(Br)cc1C(=O)NNc1cnccn1	172264641	OZDAZLRWRBNBJN-UHFFFAOYSA-N	310.155	1.817	50	20	DDGD	
O=C(NNC(=O)[C@H]1SCCc2sccc21)c1cccnc1	173034639	HDYJGXFRVRKWDM-LBPRGKRZSA-N	319.411	1.935	50	20	DDGD	
O=Cc1ccc(C(=O)NNC(=O)c2cccc3ncccc23)[nH]1	176298265	HVZRPSDIZRRHHF-UHFFFAOYSA-N	308.297	1.450	50	20	DDGD	
NNC(=O)CCC[S@](=O)c1ccc(Br)cc1	121205885	CDLPGSJHTATBFH-MRXNPFEDSA-N	305.197	1.327	50	20	DDGD	
CCn1c(NNC(=O)[C@@H]2C[C@@H]2C2CC2)nc2ccccc2c1=O	177829849	WUPHDQNTJGSBME-CHWSQXEVSA-N	312.373	1.906	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)C1(O)CCCCC1	128054548	MRFXSRBOXDTLEO-UHFFFAOYSA-N	311.407	1.316	50	20	DDGD	
CCn1c(NNC(=O)C2(O)CCCC2)nc2ccccc2c1=O	124077938	SDVIIPVAFOOJQH-UHFFFAOYSA-N	316.361	1.165	50	20	DDGD	
CCNC(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1	79441006	RAMVJPDNTYHJDS-UHFFFAOYSA-N	311.285	1.626	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2cc([N+](=O)[O-])cnc2N)c1	185335278	QJFACMNHDPLEMV-UHFFFAOYSA-N	321.268	1.477	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc([N+](=O)[O-])cc2F)nc(C)n1	128643323	NISIPZHMSPKXQP-UHFFFAOYSA-N	305.269	1.898	50	20	DDGD	
COCC(=O)N(C)CC(=O)NNc1ccc(C(C)(C)C)cc1	181153689	YQAUNQINUYEXEU-UHFFFAOYSA-N	307.394	1.532	50	20	DDGD	
Cc1cc(F)cc(C(=O)NNC(=O)c2ccncc2)c1[N+](=O)[O-]	120821840	OQHQHCSSNZGHAY-UHFFFAOYSA-N	318.264	1.512	50	20	DDGD	
CCO[C@@H]1CCCN(C(=O)NNC(=O)c2ccc(C#N)cc2)C1	127513977	JKEKHGSGOQEFBO-CQSZACIVSA-N	316.361	1.414	50	20	DDGD	
O=C(COC[C@H]1CCCO1)NNc1nc(-c2ccccc2)no1	76462251	DNZHZKSZPKCSNP-GFCCVEGCSA-N	318.333	1.375	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1nnc(C2CC2)s1)N1CCCC1=O	184490016	BHCGOPWCWJSYRE-NSHDSACASA-N	323.422	1.506	50	20	DDGD	
Cc1cnc(CNC(=O)NNc2nc3ccccn3n2)s1	189315464	LHGQAJORLAYZRI-UHFFFAOYSA-N	303.351	1.321	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNc1cccnn1)c1cccc(F)c1	77544118	OHIZWBJIAWVNDW-CYBMUJFWSA-N	318.356	1.545	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)C(=O)Nc1ccsc1	188235124	FENVFMBLDAVTLZ-UHFFFAOYSA-N	319.371	1.835	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C(C)(C)C#N)cc1OC	42127923	LHLPGFJPMYEUDX-UHFFFAOYSA-N	305.334	1.405	50	20	DDGD	
CCCC[C@H](COC)NC(=O)NNc1ccc(Cl)nn1	133291348	SFCHZDFBYZNULU-SECBINFHSA-N	301.778	1.961	50	20	DDGD	
O=C(CCc1cccc([N+](=O)[O-])c1)NNC(=O)c1ccncc1	132618239	TYWDWZMMDREERK-UHFFFAOYSA-N	314.301	1.384	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)[C@H]2CC[C@H]3CCCC[C@@H]3C2)nn1	132806843	MFOOKIVJWYLUNX-UTUOFQBUSA-N	317.393	1.625	50	20	DDGD	
O=S(=O)(CBr)NCc1noc2c1CCCC2	288283781	FFUCEECHMUDRJV-UHFFFAOYSA-N	309.185	1.325	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc(C#N)c(Cl)c1	48654644	OQCRUXYSXTYVHC-QMMMGPOBSA-N	315.782	1.567	50	20	DDGD	
O=C(CC1OCCCO1)NNC(=O)c1cccc2ccccc12	193335790	ZROXQDRUAFKUII-UHFFFAOYSA-N	314.341	1.754	50	20	DDGD	
O=C(C[C@H]1OCCc2ccccc21)NNc1nc2ccccn2n1	191892526	RJNQMMADFTYAHU-CQSZACIVSA-N	323.356	1.877	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NCC(C)(C)C	193775906	CJMZJTKMVBXUHT-UHFFFAOYSA-N	303.366	1.633	50	20	DDGD	
Cc1cnn(CCC(=O)NNC(=O)CCc2ccccc2)c1	132426706	WNAPHIWMNRBMAS-UHFFFAOYSA-N	300.362	1.362	50	20	DDGD	
C[C@@H]1CCCN(CCNC(=O)NNC(=O)OC(C)(C)C)C1	46381460	MEQGOCMFUVSERW-LLVKDONJSA-N	300.403	1.457	50	20	DDGD	
CCn1cc(NC(=O)C(=O)NNc2cc(C)ccc2C)cn1	132028405	ZFBZTFYRGKKCET-UHFFFAOYSA-N	301.350	1.602	50	20	DDGD	
O=C(NNc1ccc(F)cc1)[C@H]1CCCN(C(=O)C2CC2)C1	195432174	NFLNTMGSCROYOG-LBPRGKRZSA-N	305.353	1.917	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccc(-c2ccccc2)s1	192917545	VKBSRHDNHLLSES-UHFFFAOYSA-N	304.371	1.947	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@@H]2CC23CCOCC3)c1	93544680	PSEVDTHCTRGBDJ-JTQLQIEISA-N	306.753	1.866	50	20	DDGD	
N[C@H]1CCC[C@@H](C(=O)NNc2nc(-c3cccnc3)no2)C1	269252726	QFLODXDTAMTGTL-KOLCDFICSA-N	302.338	1.092	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2cccc3ccccc23)CCO1	266583351	XJFQLDUTHUDRBX-LBPRGKRZSA-N	313.357	1.915	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2C[C@](C)(OC)C2(C)C)n1	266782259	XYXXMAMAHMDNHO-XPTSAGLGSA-N	309.370	1.315	50	20	DDGD	
CC(C)N1CC[C@@H](NC(=O)NNc2ccc(Cl)nc2)C1=O	266812820	OPPLRAHGZTZYLO-SNVBAGLBSA-N	311.773	1.370	50	20	DDGD	
CC1(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CCC1	267384008	KWXKVAWBOHBWMR-UHFFFAOYSA-N	317.393	1.031	50	20	DDGD	
O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1O)N[C@@H]1CC=CCC1	266724014	ABUVEOIARAEISF-SECBINFHSA-N	320.305	1.353	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H](C)CCN(C)C)cc(C#N)n1C	264928022	RNXUZQFQXZQXLP-AAWHYMEISA-N	313.405	1.569	50	20	DDGD	
Cc1cccc(CN2CCCC[C@@H]2C(=O)NNC(=O)N(C)C)c1	365351942	HOSLVZRIEWPORV-OAHLLOKOSA-N	318.421	1.652	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCC(=O)OC(C)(C)C)nc1	277679762	FNJFSBVLVWYRHS-UHFFFAOYSA-N	323.349	1.433	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCSCC[C@@H]2C)n1	279672188	NKBZTMVYADJZBX-NSHDSACASA-N	308.407	1.572	50	20	DDGD	
O=C(NNc1cnccn1)[C@H]1CCCCN1C(=O)c1ccco1	274714392	BJDHMKSYVCQDQH-LLVKDONJSA-N	315.333	1.208	50	20	DDGD	
N#CC1=CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1	272701886	UTLJVXABGZPKPF-UHFFFAOYSA-N	301.258	1.619	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@@H]1CCCCN1C(=O)c1ccccc1	378560883	NRQNHQSGKXTOMB-INIZCTEOSA-N	324.384	1.642	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@@H](O)C(C)(C)C1	275784667	GQMALOGDJFZRFH-GFCCVEGCSA-N	313.829	1.972	50	20	DDGD	
C[C@H](NC(=O)NNc1nc2ccccn2n1)[C@H]1CCCCO1	276614540	AFDJCXRYQKPHMK-WDEREUQCSA-N	304.354	1.313	50	20	DDGD	
CC[C@H](C)NC(=O)[C@H](C)NC(=O)NNc1ccc(OC)cn1	276036139	WWAVJQJPMXXDQP-UWVGGRQHSA-N	309.370	1.020	50	20	DDGD	
CN1Cc2ccccc2[C@@H](NC(=O)NNC(=O)CC(C)(C)C)C1	372293941	KKXFGHXECWTJII-AWEZNQCLSA-N	318.421	1.940	50	20	DDGD	
COCc1cnc(NC(=O)NNc2cccc(OC)n2)s1	287506113	KZLUNQVOEBXBGE-UHFFFAOYSA-N	309.351	1.842	50	20	DDGD	
CC1(C)CC[C@@H]1NC(=O)NNC(=O)COCc1ccccc1	287450823	OGCDZPOILTVSSV-ZDUSSCGKSA-N	305.378	1.722	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NC[C@@H]1CCSC1	280226645	REZOMWPOEIYGAC-NSHDSACASA-N	323.418	1.321	50	20	DDGD	
CC(C)(C)n1ncnc1CNC(=O)NNc1cccc(F)n1	287335293	YJDCZZSKTZKGEH-UHFFFAOYSA-N	307.333	1.394	50	20	DDGD	
CC1=C(C(=O)NNc2cccc(F)c2)[C@H](C)n2ncnc2N1C	282873802	VABXLFFTYUITFP-JTQLQIEISA-N	316.340	1.845	50	20	DDGD	
Cc1nn(C)c(C)c1CCC(=O)NNC(=O)Nc1ccccc1	282904322	XDUGYLZHNQYXEG-UHFFFAOYSA-N	315.377	1.822	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2	299320616	XPDJRKVMSSOTLL-MRVPVSSYSA-N	322.390	1.472	50	20	DDGD	
COc1c(F)cc(NC(=O)NNC(=O)[C@@H]2CCCO2)cc1F	292706668	SUMSRYFWKLUCBF-JTQLQIEISA-N	315.276	1.305	50	20	DDGD	
CCC(C)(C)N(C)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	298757157	WVXJYXXNSPVGEP-UHFFFAOYSA-N	322.365	1.476	50	20	DDGD	
O=C(NCc1ccccc1Cl)NNC(=O)[C@H]1CCCCO1	296445542	UCPCCIIUVBRAIV-GFCCVEGCSA-N	311.769	1.740	50	20	DDGD	
Cn1c(NNC(=O)CSC(F)F)nc2ccccc2c1=O	294942640	MVLZNZURNWTNCA-UHFFFAOYSA-N	314.317	1.332	50	20	DDGD	
N#CCCN(CC(=O)NNC(=O)c1ccc(F)cc1)CC1CC1	299187987	CMUDYWHEWMQVKY-UHFFFAOYSA-N	318.352	1.212	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cccc(=O)n1C	805374996	AICVQZGENJPXJQ-UHFFFAOYSA-N	302.290	1.359	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)N[C@H]2CCC2(C)C)cc1	807575951	UKBYHVQEVQQOPS-ZDUSSCGKSA-N	321.377	1.593	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H]1OC[C@@H]2COCC[C@H]21	290460615	JELGFPZUPFWMEU-ZWKOPEQDSA-N	307.306	1.089	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)NC[C@H]2CCOC[C@H]2C)c1	297981879	MRSQMKAPAINNFJ-DGCLKSJQSA-N	320.393	1.944	50	20	DDGD	
O=C(CCc1ncc[nH]1)NNC(=O)c1ccc(Cl)cc1O	806536252	JCXDDEMTDAZIFI-UHFFFAOYSA-N	308.725	1.163	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNc2ccc3c(=O)[nH]ccc3c2)CCC1=O	803429657	IKARPSMIVBBTQK-CMPLNLGQSA-N	313.357	1.977	50	20	DDGD	
CSSCCNC(=O)N1CCN(C[C@@H](C)O)C[C@H]1C	807231626	OLDFRDLMABWSTI-GHMZBOCLSA-N	307.485	1.094	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1c(F)cc(F)cc1F	296875742	LYSKYMVIWAVMCZ-SNVBAGLBSA-N	317.267	1.826	50	20	DDGD	
CSSCCNC(=O)N1CCC(O)(C(F)F)CC1	807227201	YPYJTSJLPPCHGW-UHFFFAOYSA-N	300.396	1.799	50	20	DDGD	
CO[C@@H]1CCC[C@H](C(=O)NNc2nc(-c3ccncc3)no2)C1	815235933	KMFCYDHVOKSIKP-NWDGAFQWSA-N	317.349	1.780	50	20	DDGD	
C[C@H]1C(=NNC(=O)CNC(=O)c2ccco2)CC[C@@H]1CC(=O)O	814826634	DUCVMBXJDNXQRY-NXEZZACHSA-N	321.333	1.002	50	20	DDGD	
CCn1cc(NC(=O)C(=O)NNc2cccc(Cl)n2)cn1	815727855	LCYLZTQYWOZUJE-UHFFFAOYSA-N	308.729	1.033	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2ncncc2F)c1F	815765036	CWAPZRMDJJSFNM-UHFFFAOYSA-N	307.260	1.145	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H](C)Cc1cnc2ccccc2n1	815122006	DYWUJLGMYSILEQ-LLVKDONJSA-N	315.377	1.549	50	20	DDGD	
Cn1c(NNC(=O)[C@H]2CCCC23OCCO3)nc2ccccc21	816580554	KGCMZOOIUXCEAF-LLVKDONJSA-N	316.361	1.560	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N[C@@H](CO)C2CCCC2)c1	811873776	AJXKBIRUYRLVQU-AWEZNQCLSA-N	316.361	1.053	50	20	DDGD	
Cc1cc(CC(=O)NN=C2COc3cccc(Cl)c32)n[nH]1	814788282	LZSCWFJHUWJNGI-UHFFFAOYSA-N	304.737	1.827	50	20	DDGD	
COCC(C)(C)CNC(=O)NNC(=O)CCc1ccccc1	813841104	YFYNDIKXCUNVCB-UHFFFAOYSA-N	307.394	1.622	50	20	DDGD	
CCOc1ccc(NNC(=O)c2ccc(C(=O)NC)nc2)cc1	817890038	QDYBTAGAVINMKE-UHFFFAOYSA-N	314.345	1.597	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1ccc(C)c(C(=O)OC)c1	816688057	BEZANSLOUORFJN-UHFFFAOYSA-N	321.377	1.531	50	20	DDGD	
O=C(NNc1ncncc1F)C(=O)Nc1cccc(Cl)c1	815764045	OMQJLQJFXDKKGB-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
CC(C)c1cccc(OCC(=O)NNC(=O)c2ccnnc2)c1	817693901	QDXMBFHZEYIDBN-UHFFFAOYSA-N	314.345	1.440	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)c(F)c1	826447128	ONOCPDAFVKFPJJ-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
C=Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2O)cc1	821124293	RPXJUASTBBGSIF-UHFFFAOYSA-N	318.354	1.659	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cn1cnc2ccccc21)C1CC1	727271050	QOAYGYLGUXCMQL-JTQLQIEISA-N	317.418	1.330	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C	495764720	YFHSIQJPEBCUKU-SECBINFHSA-N	301.343	1.115	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NNc1ccnc(Br)c1	490906743	DZOIWFYQSHMOBM-BQYQJAHWSA-N	311.139	1.731	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)NNC(=O)C1CCC1	496180892	KGFPIEGICIMUNT-UWVGGRQHSA-N	313.398	1.483	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C	494975285	YOARJAKKVFAUFI-JTQLQIEISA-N	316.402	1.228	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2CC(c3cn(C)nc3C)=NO2)n1	827031834	WXKCUELBJDLGGV-ZDUSSCGKSA-N	314.349	1.068	50	20	DDGD	
COc1cc(NCc2ccc(B(O)O)cc2F)c(C)cc1C	585039607	UNYAMUJCHAOTOU-UHFFFAOYSA-N	303.142	1.743	50	20	DDGD	
C[C@H](NNC(=O)c1cc2c(nc1O)CCC[C@@H]2O)C(F)(F)F	824829402	HMXNXJSQYBDVIT-WKEGUHRASA-N	319.283	1.342	50	20	DDGD	
CC(C)(C)[S@](=O)CCNC(=O)[C@@]1(C)C[C@@H]1Br	906661764	QRYZXVLFEQCMRO-LFZOIZTFSA-N	310.257	1.823	50	20	DDGD	
CCO[C@H]1CCCC(=NNC(=O)[C@@H](C)CN2CCOCC2)C1	905428676	AEBJIUKQIIXKFL-ZFWWWQNUSA-N	311.426	1.406	50	20	DDGD	
CC(C)CO[C@@H](C)C(=O)NNc1cccc(-c2nn[nH]n2)c1	824266749	PRYSORBAPIIOMH-JTQLQIEISA-N	304.354	1.371	50	20	DDGD	
CCC[C@](C)(CC)C(=O)NNC(=O)CNC(=O)OC(C)(C)C	492151982	XFMKEOGJBHUGJU-HNNXBMFYSA-N	315.414	1.875	50	20	DDGD	
CC(C)(C)c1nc(CNCc2ccc(B(O)O)cc2)cs1	585021514	WABLZOMNLXBXNH-UHFFFAOYSA-N	304.224	1.410	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@H]1CCN(C2CC2)C1	734285503	OFSDDNORWWCLJK-JTQLQIEISA-N	306.341	1.006	50	20	DDGD	
O=C(COc1cc(Cl)cc(Cl)c1)N1CC[C@H](B(O)O)C1	585067204	RMCNVMMCEOTLSB-QMMMGPOBSA-N	317.965	1.448	50	20	DDGD	
CC(C)N(CCC(=O)NNc1ncccn1)C(=O)OC(C)(C)C	497304285	FTLVDUKMJOSBCB-UHFFFAOYSA-N	323.397	1.955	50	20	DDGD	
CCOC(=O)N[C@H](C(=O)NNc1ccc([N+](=O)[O-])cc1)C(C)C	493356025	IEIOPSPQUSYWIA-LBPRGKRZSA-N	324.337	1.809	50	20	DDGD	
Cc1nn[nH]c1NS(=O)(=O)c1ccc(CCCl)cc1	903183764	GKLYRYHBXHYTOD-UHFFFAOYSA-N	300.771	1.695	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2cnc3n2CCOC3)cc1	905418956	IPNZOTKWCYYGNW-UHFFFAOYSA-N	313.361	1.284	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21)c1cc2c(s1)CCC2	905118368	RCZKPEHJJFVJFF-BZHVJNSISA-N	304.371	1.223	50	20	DDGD	
O=C(CCc1ccc(C(=O)O)cc1)NNC(=O)NC1CCCC1	739255731	HNVBYSRLGTXCPN-UHFFFAOYSA-N	319.361	1.590	50	20	DDGD	
CC(C)C[C@@H]1C[C@H]1NC(=O)NNc1nc(O)c2cnn(C)c2n1	838757996	PSPZSFNXEUMUDS-PSASIEDQSA-N	319.369	1.130	50	20	DDGD	
Cc1c[nH]cc1C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	733170582	IDWWTXWKDLZBIE-UHFFFAOYSA-N	309.329	1.584	50	20	DDGD	
COC(=O)c1cc(NC(=O)[C@]2(C)C[C@H]2Br)cn1C	906916433	ZPVSXGAKJXIVOA-BXKDBHETSA-N	315.167	1.924	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@H]1CC(=O)O	833016333	UMWZUKFAARVRDR-NSHDSACASA-N	313.785	1.818	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cccc(N2CCNC2=O)c1C	491043660	AFQYMKCDDBQLSN-ZRDIBKRKSA-N	314.345	1.907	50	20	DDGD	
COC(=O)Cn1cc(/C=C(\C#N)C(=O)C2CCCCC2)nn1	834430179	IGXAKWOVTCYVCW-KPKJPENVSA-N	302.334	1.507	50	20	DDGD	
Cc1nonc1C(=O)NNC(=O)c1cccc(OC(F)F)c1	733930781	FEFGABJKHOBQDN-UHFFFAOYSA-N	312.232	1.054	50	20	DDGD	
O=C1CC[C@H](CC(=O)NNc2nc(-c3ccccc3)no2)CN1	836667291	LPEODYSTNWBUJO-SNVBAGLBSA-N	315.333	1.096	50	20	DDGD	
COCCNC(=O)NNC(=O)Nc1ccc(Cl)cc1Cl	837310441	BRTMQYBNTHEOHY-UHFFFAOYSA-N	321.164	1.976	50	20	DDGD	
Cc1ccc([C@@]2(C)CCN(C(=O)c3ccc(B(O)O)cc3)C2)cc1	584982919	KYKZGIMKKJMACU-IBGZPJMESA-N	323.201	1.479	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCOC[C@H]1CC(C)C	733796606	HFWFCNBDEZHFLR-ZIAGYGMSSA-N	313.442	1.315	50	20	DDGD	
OB(O)c1ccccc1CNCC1(Sc2ccccc2)CC1	585020356	UJYDUBDNJYFOTE-UHFFFAOYSA-N	313.231	1.781	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NNc2ccccn2)C1	732253754	QHVYNTITGRQYIG-NSHDSACASA-N	321.381	1.717	50	20	DDGD	
Cn1c(=NNC(=O)C[C@H]2CCCOC2)sc2ccccc21	588613068	YULVJJJSKCTUSB-LLVKDONJSA-N	305.403	1.988	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc2c(c1)OCCCCO2	834946092	IRZBXWULPPKBTK-UHFFFAOYSA-N	321.377	1.908	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)[C@@H]1CCCCO1)c1cccc(C#N)c1	836333014	BVVUFOVASLKWOA-RISCZKNCSA-N	316.361	1.519	50	20	DDGD	
CCOC(=O)c1ccc(CNC(=O)NNC(=O)C2CCC2)cc1	732453750	KLBUWTALUCYQEQ-UHFFFAOYSA-N	319.361	1.494	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cn(CC)nc1-c1ccccc1	900395488	UUTNEAGQNREJKP-UHFFFAOYSA-N	315.377	1.924	50	20	DDGD	
Cc1noc(C)c1CCNC(=O)NNC(=O)CC(F)(F)F	730677081	IXIPZUSGDHDEKD-UHFFFAOYSA-N	308.260	1.117	50	20	DDGD	
CC[C@H](c1ccncc1)N(CC)C(=O)c1ccc(B(O)O)cc1	584950234	KULQGLAPLQNZLZ-MRXNPFEDSA-N	312.178	1.375	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)COc2ccccc2O)cc1	730819023	ZNJYHATYRAXCNH-UHFFFAOYSA-N	315.329	1.932	50	20	DDGD	
C[C@@H](CNC(=O)c1cccc(B(O)O)c1)Cc1cccs1	584952656	VXLSBLRDNLNFGV-LLVKDONJSA-N	303.192	1.037	50	20	DDGD	
CCOc1cc(C=NNC(=O)C(N)=O)ccc1OCC(C)C	916274941	ZRLJFUBERDNUIV-UHFFFAOYSA-N	307.350	1.056	50	20	DDGD	
C[C@@H](Cc1cccc(O)c1)NC(=O)NNC(=O)c1ccccc1	919784627	USUBQSFIJPFJDN-LBPRGKRZSA-N	313.357	1.967	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2ccc(C#N)s2)c1	749332285	VIOPFOZXDIUHJY-UHFFFAOYSA-N	315.354	1.768	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NNC(=O)CSc1ccc(C)cc1	916140851	CGNVRGVTTSLBQQ-OLZOCXBDSA-N	308.403	1.660	50	20	DDGD	
CC(=O)N[C@@H](C)C(=O)NNC(=S)Nc1cc(C)ccc1C	913423073	GGSXADSWZFQJQT-JTQLQIEISA-N	308.407	1.146	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2c(O)cccc2Cl)n1	746693265	CKLNXHXFTRTIJE-UHFFFAOYSA-N	308.725	1.910	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cc2c(s1)CCC2)[C@@H]1CCOC1	743652105	KQOQFHZKZQDTRU-GXSJLCMTSA-N	323.418	1.606	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(F)cc2cccnc12	843658547	FEXURAZJQYIRCH-BXKDBHETSA-N	317.320	1.560	50	20	DDGD	
C[C@@H](C1CCCCC1)N(C)C(=O)NNC(=O)c1ncccn1	841592141	KXMRYVNDFKXQRW-NSHDSACASA-N	305.382	1.732	50	20	DDGD	
O=C(NCCOc1ccccc1F)NNC(=O)c1ccc[nH]1	915889673	KCNDJUYMLVIMSI-UHFFFAOYSA-N	306.297	1.177	50	20	DDGD	
Cc1ncsc1C=NNC(=O)[C@H]1COc2ccccc2O1	743423699	UVPNBPZSFVUTFE-GFCCVEGCSA-N	303.343	1.742	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O	918365948	HBKAZETYYAANEX-JVHMLUBASA-N	306.284	1.482	50	20	DDGD	
O=C(CCn1ccccc1=O)NNC(=O)c1ccc(Cl)cc1	914871062	PGPIPQXJIISWKA-UHFFFAOYSA-N	319.748	1.353	50	20	DDGD	
CCN(C)C(=O)COC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	746568791	QAFWPVZTXRJJBN-MLPAPPSSSA-N	314.345	1.134	50	20	DDGD	
COc1ccc(C=NNC(=O)Cc2ccncc2)cc1[N+](=O)[O-]	747641183	ZBPDTYNHLHDEMM-UHFFFAOYSA-N	314.301	1.691	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccccc1-n1cccn1	843642706	GIIWDFPDRLSXBC-RYUDHWBXSA-N	314.345	1.058	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2cc1O)c1ccc(O)nn1	917358178	ASJCQQQJEIEWMR-UHFFFAOYSA-N	324.296	1.116	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CC[C@@H]([C@@H]2CCOC2)C1	749770546	WYTDDKDLNCXVDX-ZIAGYGMSSA-N	317.389	1.708	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H]2CCc3cncn3C2)cc1	844143682	GIHHFWDWYVKRLR-LBPRGKRZSA-N	300.362	1.988	50	20	DDGD	
CC1(C)OCc2cc(C=NNC(=O)c3ncccn3)ccc2O1	841664096	GXLHQGISGMMCNX-UHFFFAOYSA-N	312.329	1.886	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1(Cc2ccccc2)CCC1	843652485	JMBISTIPFTXERL-ZFWWWQNUSA-N	316.401	1.972	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1scnc1C1CCCC1	843657464	PGXSQWHPMWNXKL-ONGXEEELSA-N	323.418	1.987	50	20	DDGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)[C@H]1COCCO1	745173144	HDZKIAOCFPPDJU-SNVBAGLBSA-N	315.782	1.073	50	20	DDGD	
O=C(NCC[C@@H]1C[C@H]2CC[C@H]1O2)NNc1ncncc1Cl	841589494	HXOZBVNWUFMKKL-FXPVBKGRSA-N	311.773	1.714	50	20	DDGD	
O=C(O)CC[C@H](Cc1ccccc1)NS(=O)(=O)CCl	841779526	JPMXVRODHOXOAN-LLVKDONJSA-N	305.783	1.578	50	20	DDGD	
CCOc1ccc(OCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	843644791	FYWKGSKGZHPWLW-SMDDNHRTSA-N	322.361	1.037	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)CNC(=O)N1CCCC1	928337342	BBTULIJAWHGJIX-UHFFFAOYSA-N	310.785	1.897	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNC(=O)Nc1ccc(OC)cc1	848045415	YCYZOGINKACRCL-JTQLQIEISA-N	323.349	1.437	50	20	DDGD	
CCc1nc(C)c(C(=O)NN(C)C(=S)NCCCOC)o1	854286380	ZFNDUHBVUNZJHI-UHFFFAOYSA-N	314.411	1.033	50	20	DDGD	
CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@]1(C)C[C@H]1Br	923266754	SXLCEIGRSSHHPP-SBFPOUOMSA-N	301.228	1.855	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)on1	857211430	UDPHXVXOUZFJSP-TZMCWYRMSA-N	317.349	1.335	50	20	DDGD	
O=C(NNc1ccncn1)[C@H]1COc2ccc(Cl)cc2C1	857520280	TUNUKWVTQIBHFO-SNVBAGLBSA-N	304.737	1.824	50	20	DDGD	
O=C(CCC[C@H](O)c1ccccc1)NNc1ncncc1F	854609137	LCKATKXOJLBUGT-ZDUSSCGKSA-N	304.325	1.963	50	20	DDGD	
CC(C[C@@H]1CCOC1)=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1	751522405	SKENPIFIWVRZPG-JTQLQIEISA-N	306.322	1.709	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(OC(F)F)cc1	920833476	OUOFBRRYSKAIPG-UHFFFAOYSA-N	301.293	1.958	50	20	DDGD	
CC(C)(CO)CCNC(=O)NC[C@]1(C)C[C@@H]1Br	856959796	XQNDFYPRTQFFJN-CABZTGNLSA-N	307.232	1.868	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=C1COC[C@@H]1CC	853357397	SSGVRQIXHQAGHO-NWDGAFQWSA-N	323.393	1.432	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN[C@@H](C)[C@@H]2CCCOC2)c1	754569009	XCIBBVDPQYPKDZ-DZGCQCFKSA-N	319.405	1.161	50	20	DDGD	
O=C(NN=C/C=C\c1ccccc1)N[C@@H]1CCS(=O)(=O)C1	920382107	XBFSJIXDDJVJBM-UAMHXCRFSA-N	307.375	1.172	50	20	DDGD	
Cn1cnc2cccc(C(=O)NNC(=O)c3ccccc3F)c21	752978192	QKWZFHYKJQBWBO-UHFFFAOYSA-N	312.304	1.787	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc(C2CC2)no1	854284839	ADKMOGXPTIUBHS-UHFFFAOYSA-N	312.395	1.040	50	20	DDGD	
CSC[C@@H]1CCCN1C(=O)NNC(=O)c1cccc(F)n1	852708853	JXGFCFNIZSOAKU-VIFPVBQESA-N	312.370	1.403	50	20	DDGD	
C[C@H](COCC1CCCCC1)NC(=O)c1cccc(B(O)O)c1	928703266	WSFBYQDESITOFP-CYBMUJFWSA-N	319.210	1.082	50	20	DDGD	
CCOc1cnc(C(=O)NC[C@@]2(C)C[C@@H]2Br)cn1	857390164	BXSQEGLDQIXCMU-JOYOIKCWSA-N	314.183	1.779	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1F	853683118	MOEBUODFNPRWPZ-UONOGXRCSA-N	322.384	1.623	50	20	DDGD	
CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cc(C)oc1C	920383418	DTSKYNXOUDCPNV-LLVKDONJSA-N	313.379	1.107	50	20	DDGD	
O=C(Cc1ccccc1O[C@H]1CCOC1)NNc1ccncn1	857521521	KRARBIZTVURXIW-ZDUSSCGKSA-N	314.345	1.330	50	20	DDGD	
C[C@H](N)CCNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	857113705	AOCGVXSRJQMKPD-NSHDSACASA-N	306.410	1.665	50	20	DDGD	
Cc1ccc(C(=O)C(=O)NNC(=S)NCC2CCC2)cc1	855093437	RMJONTSCWUUZAH-UHFFFAOYSA-N	305.403	1.473	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H]2CC[C@@H](CN)C2)C[C@@H]1Br	857106716	XRVNMPJWRBEBJH-MWGHHZFTSA-N	304.232	1.587	50	20	DDGD	
O=C(CSc1nc(-c2ccccc2)no1)NNC(=O)C1CC1	754835522	OUFJWTMPHHOQPV-UHFFFAOYSA-N	318.358	1.386	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=O)c1cccc(F)n1	856424868	UROUMHJHTRWZMU-GMTAPVOTSA-N	308.357	1.243	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CCCS(=O)(=O)C2)C[C@H]1Br	857732554	AWQUPWSKFWODKZ-FXPVBKGRSA-N	324.240	1.101	50	20	DDGD	
COC[C@](C)(NC(=O)NNc1ncc(F)cn1)C(F)(F)F	932329520	JFJMDKPKZUCVTD-VIFPVBQESA-N	311.239	1.209	50	20	DDGD	
CC(C)(CCNC(=O)NC[C@@]1(C)C[C@H]1Br)C(=O)O	857101151	QZBSRNIMVSLGMT-PRHODGIISA-N	321.215	1.960	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Nc2ccon2)cc1OC	757851148	LQNOPYZAIWGDJD-UHFFFAOYSA-N	306.278	1.158	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNC(=O)c1cc2c(s1)CCC2	758367707	ZPLFUECXHRQJPF-QMMMGPOBSA-N	310.375	1.197	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CCCN2C(C)C)nc1	935107439	PCCHORSZYIGNTB-LBPRGKRZSA-N	306.366	1.184	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cc(C)cnc1OCC	931582179	DFNHKSRJBMRHHC-UHFFFAOYSA-N	304.350	1.745	50	20	DDGD	
CC[C@H](CC(F)(F)F)NC(=O)NNC(=O)c1cnn(C)c1	760714187	VASUFLRRELFBGD-MRVPVSSYSA-N	307.276	1.095	50	20	DDGD	
O=C(Cn1ncc2ccccc21)NNCC(F)(F)C(F)(F)F	863095516	HTEMLUWPIFTWOR-UHFFFAOYSA-N	322.237	1.855	50	20	DDGD	
CC(CCc1ccc2c(c1)OCO2)=NNC(=O)[C@@H]1CCC(=O)N1	863146081	OOXZYXUWESOAPP-LBPRGKRZSA-N	317.345	1.119	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@]12C(=O)Nc1ccccc12)C1CCCC1	930134881	WQHVRQPCQHLBAN-SJKOYZFVSA-N	313.357	1.234	50	20	DDGD	
CCC[C@H](O)C(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	935679785	FXQXFGNTTGRDPW-CABZTGNLSA-N	314.769	1.416	50	20	DDGD	
Cc1cccc(CO[C@H](C)C(=O)NNc2ncncc2F)c1	868541377	SBUIFODLTMNXOR-LLVKDONJSA-N	304.325	1.973	50	20	DDGD	
CC(=NNC(=O)c1cn[nH]c1)c1ccc(N2CCOCC2)cc1	863156343	XEXBDAQDWCTAPN-UHFFFAOYSA-N	313.361	1.400	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)C(=O)N1CCC[C@H](C)C1	768179335	GAYYRPUJXKDSDY-NSHDSACASA-N	319.361	1.175	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCC2(O)CCC2)c(F)c1	868819921	LHCNMSONGBCGQW-UHFFFAOYSA-N	310.325	1.751	50	20	DDGD	
Cc1ccc(-c2n[nH]cc2C=NNC(=O)[C@@H]2CCC(=O)N2)cc1	863145321	MJWMDZQOMNYXDF-ZDUSSCGKSA-N	311.345	1.114	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NNC(=O)COc1ccccc1F	862993491	OHOBNBAYEQMKML-GFCCVEGCSA-N	323.368	1.225	50	20	DDGD	
Cc1nn2c(C=NNC(=O)CN(C)C)c(C(C)C)nc2s1	766698527	MAHCRXNRWUPJKW-UHFFFAOYSA-N	308.411	1.234	50	20	DDGD	
COC1CC(C(=O)NNc2cccc(Br)n2)C1	861939729	FIGHYCAUGYNEFY-UHFFFAOYSA-N	300.156	1.712	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NNc1ncc(F)cn1	768324136	WDJIPRAIDZSPDI-SSDOTTSWSA-N	305.151	1.868	50	20	DDGD	
O=C(NC[C@@H]1COCO1)[C@@]12CC[C@@H](C[C@H]1Br)C2	861974614	QSKGZXPOJXNYOQ-BTQIBKBOSA-N	304.184	1.429	50	20	DDGD	
COCCOCC(=O)NNC(=O)C[C@H]1CCCCC1(C)C	869908685	UVHLQSHUVLBNAL-GFCCVEGCSA-N	300.399	1.403	50	20	DDGD	
CC(=O)Nc1ccc(CC(=O)NN[C@H](C)C(F)(F)F)cc1	862305837	XHXCYMZPQXGTGI-MRVPVSSYSA-N	303.284	1.759	50	20	DDGD	
CCNC(=O)NN=C1C(=O)Nc2ccc(OC(F)(F)F)cc21	863084074	ZOQNWNHIMXYILH-UHFFFAOYSA-N	316.239	1.561	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@H]2[C@H](N(C)C)[C@H]2C1	861910407	LSPXQPHKNOFGNX-IMRBUKKESA-N	310.829	1.371	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)c2cnn(C)c2)[C@H](C)C1	761266368	FUNXHYANQYEXEH-MNOVXSKESA-N	306.366	1.505	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@H]1CCn2ccnc2C1	867129223	NXIWQGQXSREEII-JTQLQIEISA-N	305.831	1.382	50	20	DDGD	
CC1(C)CC(=NNC(=O)CS(C)(=O)=O)c2ccccc2O1	863187509	NLRGBPOZCPSRQS-UHFFFAOYSA-N	310.375	1.113	50	20	DDGD	
CCOCc1nc(C)c(C(=O)NN=c2cc[nH]c(C)c2)s1	862515503	UOKAZEDLZFLRQL-UHFFFAOYSA-N	306.391	1.870	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H](C)NC(=O)C2CCCCC2)cc[nH]1	862510457	HSRYPIBWZFLNOA-LBPRGKRZSA-N	304.394	1.340	50	20	DDGD	
CCC/C=C\C(=O)OCC(=O)NNC(=O)Cc1ccccc1C	767288823	YFHHORLPRBCVJE-YHYXMXQVSA-N	318.373	1.584	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cc(C2CCOCC2)nn1C	862978965	XQULBXAJJJBKAL-ZRDIBKRKSA-N	304.350	1.697	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@H](C)N(C)C[C@H]1C	769141219	KFDYHLAIANFVRO-WDEREUQCSA-N	312.845	1.903	50	20	DDGD	
Cc1cc(=NNC(=O)NCCSCC(F)(F)F)cc[nH]1	875443235	DDRHQGTVTXHVMH-UHFFFAOYSA-N	308.329	1.734	50	20	DDGD	
Cc1cn2ccnc(C(=O)NNc3cccnc3Cl)c2n1	762888549	JVVHQVSYTVTSJB-UHFFFAOYSA-N	302.725	1.843	50	20	DDGD	
COCCOCC(=O)NN=Cc1cn(-c2ccccc2)nc1C	872401738	HNPPBMZFXOXJEW-UHFFFAOYSA-N	316.361	1.294	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNC(=S)Nc1cccc(C)c1	873774515	NXHGRNQKHFGJDK-AWEZNQCLSA-N	316.430	1.410	50	20	DDGD	
CN(C)c1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)cc1F	873791266	AGMYVJFGLMEHIF-UHFFFAOYSA-N	324.356	1.024	50	20	DDGD	
CN(C)c1ccccc1NC(=O)NNC(=O)C1CCOCC1	878143739	QYUJZBWEGPEKTE-UHFFFAOYSA-N	306.366	1.332	50	20	DDGD	
Cc1ccc(NC(=O)NNc2ncc(F)cn2)cc1C(N)=O	775592309	LWMDROUIFCYHMS-UHFFFAOYSA-N	304.285	1.172	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)CO[C@H]2CCOC2)cc1C	1117697807	RDJZGMDPPBQNCO-ZDUSSCGKSA-N	322.361	1.420	50	20	DDGD	
Cc1cc2c(cc1C)[C@@H](C(=O)NNC(=O)c1ccccn1)CO2	770201789	DBURPQVONAQHLQ-ZDUSSCGKSA-N	311.341	1.636	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](C)Cc1cc(F)cc(OC)c1	875656228	YRZGWOIBWHKXKJ-SECBINFHSA-N	313.329	1.678	50	20	DDGD	
COCCOCC(=O)NN=Cc1cccc(F)c1OC(F)F	872400298	QSHAJJOANPRZNC-UHFFFAOYSA-N	320.267	1.540	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2nccnc2C(C)C)n1	773992084	KXIGTEHKAWOLFM-UHFFFAOYSA-N	314.349	1.385	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)NCC2CC2)c(C)nc1C	777241608	YTGHFHIHAFFMQO-UHFFFAOYSA-N	304.350	1.255	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCn1ncnc1S(C)(=O)=O	871683835	JGMFZPUQGWRRHL-UHFFFAOYSA-N	305.476	1.703	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccccc1-c1noc(C)n1	878298711	HQRAFBFRDXQNAU-UHFFFAOYSA-N	305.338	1.660	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn(CC3CC3)c2)c(O)c1	878325669	LVMXCNWYGFOYBE-UHFFFAOYSA-N	314.345	1.382	50	20	DDGD	
COc1ccc(C=NNC(=O)c2sc(N)nc2C)c(OC)c1	874104383	BKWFJJBNGPNWHD-UHFFFAOYSA-N	320.374	1.815	50	20	DDGD	
C=CC(C)(C)CC(=O)NNC(=O)CCNC(=O)OC(C)(C)C	879419609	BEBPMQVXYQEWEC-UHFFFAOYSA-N	313.398	1.651	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)Sc1nc2cncnc2[nH]1	775232017	HJBIDIXQPGCKRF-MRVPVSSYSA-N	322.394	1.027	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@H]1COC2(CCCCC2)O1	775741300	NPHMFSMQVVHZEK-NSHDSACASA-N	313.398	1.439	50	20	DDGD	
Cc1ccc(C(=O)N(C)C)cc1NC(=O)NNC(=O)C(C)C	770333801	ZLVLUOOODWYVED-UHFFFAOYSA-N	306.366	1.506	50	20	DDGD	
O=S(=O)(CCCCl)N1CCOC(C2CC2)(C2CC2)C1	882413088	AGUQPGDBLMTVFN-UHFFFAOYSA-N	307.843	1.836	50	20	DDGD	
Cc1cccc(CO[C@H](C)C(=O)NNC(=O)c2cccnn2)c1	882056313	PVQUVZPSIMLWOO-GFCCVEGCSA-N	314.345	1.151	50	20	DDGD	
C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NNC(=O)c1cccnn1	883493508	MTDLMNFAJUAAKC-MNOVXSKESA-N	305.382	1.635	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCc1nnnn1C1CC1	771330732	KIYLSCFDOZYXHC-UHFFFAOYSA-N	305.317	1.282	50	20	DDGD	
O=C(NNS(=O)(=O)CCC1CCCC1)[C@@H]1CCCCO1	882730087	VETUZUBHBPPYJH-LBPRGKRZSA-N	304.412	1.086	50	20	DDGD	
COC(=O)N1CCC[C@@H](NC(=O)NNc2c(C)cccc2F)C1	771314635	FUKMURLJOSMWOL-LLVKDONJSA-N	324.356	1.991	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC1(Cc2ccccc2)CC1	883751661	QZWSAUGXDNKNFO-GXTWGEPZSA-N	317.389	1.517	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@]1(O)CCc2ccccc2C1	785713710	RSALYYOKSZZETA-IBGZPJMESA-N	324.380	1.676	50	20	DDGD	
CCC(=O)N(C)c1ccc(NC(=O)NN(C)C(=O)OC)cc1	881045200	ZGNQCLZLLGZTEO-UHFFFAOYSA-N	308.338	1.794	50	20	DDGD	
C#Cc1cccc(NC(=O)C(=O)NNc2ccc(OC)cc2)c1	783036527	DUMDEVBOKFCQLJ-UHFFFAOYSA-N	309.325	1.758	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)[C@@H]1CO[C@@H](C)C1	784154167	GTBAFMVEDIGYGA-QWRGUYRKSA-N	324.402	1.360	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cccc(-n2cccn2)n1	781836407	NDAHSHSQPIXOHH-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
N#CC1=CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)CC1	780689286	WVLIQVITHBEZRO-MRXNPFEDSA-N	324.384	1.616	50	20	DDGD	
COc1cccc(NNC(=O)Nc2cccc([S@](C)=O)c2)n1	780578359	WNZIHRSDHHYDJJ-QFIPXVFZSA-N	320.374	1.976	50	20	DDGD	
COc1cccc(CC(=O)NNc2ccc(-n3ccnc3)nn2)c1	788178550	SOVMTMOYURGJBU-UHFFFAOYSA-N	324.344	1.357	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(-n3cccn3)nc2)n1	780769590	WTGMHNUVZQDIJZ-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
COc1cccc2c1CCCC2=NNC(=O)N1CCN(C)CC1	799485283	HWRKMILWBXHICH-UHFFFAOYSA-N	316.405	1.693	50	20	DDGD	
CC(=NNC(=O)c1nnc(O)c2ccccc12)c1cc(C)n(C)n1	799870020	SUXZCHFAMIPUHD-UHFFFAOYSA-N	324.344	1.531	50	20	DDGD	
CS(=O)(=O)c1ccc(/C=C(/C#N)C(=O)C2CCOCC2)cc1	794957083	CENWKLBGDNSQML-UVTDQMKNSA-N	319.382	1.993	50	20	DDGD	
COc1cncc(C(=O)NNC(=O)C(C)(C)c2ccccc2)n1	790606850	NVKMBVZZBWXPOM-UHFFFAOYSA-N	314.345	1.224	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C1CCC(NC(=O)C2CC2)CC1	793075614	FUKCRSCLMRTPAL-UHFFFAOYSA-N	309.410	1.265	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ncccc2C)c(C)n1	792375756	MNTOKKSAZWTIOL-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1ccnn1-c1ccccc1	792642096	FMENBCZYUNVWKN-UHFFFAOYSA-N	320.316	1.296	50	20	DDGD	
COCc1cc(C=NNC(=O)[C@@H]2COc3ccccc3O2)no1	794861452	XBONCYXMNXRGGN-AWEZNQCLSA-N	317.301	1.111	50	20	DDGD	
CCOCC(=O)NN=Cc1ccc(OC)cc1Br	794908731	IUUPTIYFBVHKLW-UHFFFAOYSA-N	315.167	1.944	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cncc(N2CCOCC2)c1	791224455	UXKDWCUATMGVKU-UHFFFAOYSA-N	313.361	1.379	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCC(O)(C(F)(F)F)CC2)CC1	790173506	JJGXQGSJGILXTB-UHFFFAOYSA-N	322.331	1.167	50	20	DDGD	
CCn1ncc2cc(C(=O)NNC(=O)c3ccccc3)c(C)nc21	799293614	IPSCVUZJYFYNGL-UHFFFAOYSA-N	323.356	1.834	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)C(=O)Nc2cccc(F)n2)c1	793037240	VBXKSIANWKOSAU-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cnc(C3CC3)[nH]2)nc1	1319526655	DGAZXXUGJHUMCE-UHFFFAOYSA-N	301.306	1.226	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2ccc(O)c(O)c2O)CC1	1317717975	SNTTYNKCFOOLOY-UHFFFAOYSA-N	321.377	1.376	50	20	DDGD	
Cc1noc([C@H](C)NC(=O)NNC(=O)c2ccccc2Cl)n1	1318155537	JWNJDFKQZWIRAT-ZETCQYMHSA-N	323.740	1.737	50	20	DDGD	
Cc1cccc2nc(C(=O)NNc3ccnc(N(C)C)n3)cn12	1318770636	HIPHDVSPTUJAGH-UHFFFAOYSA-N	311.349	1.256	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CC[C@@H]2CC[C@@H](C)O2)cc1	1318907883	SIYOQACXRRHZBI-RISCZKNCSA-N	306.362	1.804	50	20	DDGD	
CC[C@H](C)Oc1cc(C=NNC(=O)C(=O)OC)ccc1OC	1322286286	NWLIDDDBHOLEHH-JTQLQIEISA-N	308.334	1.496	50	20	DDGD	
O=C(NNC(=O)C(=O)Nc1ccccn1)Nc1cccc(F)c1	1323801649	NUDTVPURJKZRRN-UHFFFAOYSA-N	317.280	1.012	50	20	DDGD	
CCOCCN(C)c1nnnn1C[C@@]1(C)C[C@H]1Br	1336189558	XKICEUNCTCAZLC-MWLCHTKSSA-N	318.219	1.319	50	20	DDGD	
CO[C@@]1(C(=O)NNc2ccc(C(C)(C)C)nn2)CCSC1	1332754726	JUCVZHALRQMEEB-AWEZNQCLSA-N	310.423	1.739	50	20	DDGD	
O=C(NN=Cc1cncc(Br)c1)C1CCOCC1	1331995511	YNVXKQQPWUENJD-UHFFFAOYSA-N	312.167	1.721	50	20	DDGD	
Nc1cnnc(NNC(=O)Cc2ccc3n[nH]cc3c2)c1Cl	1256382850	ZLAXTYWPHZIQJA-UHFFFAOYSA-N	317.740	1.274	50	20	DDGD	
CCc1nc(CNC(=O)NNc2nncc(N)c2Cl)co1	1348071251	QCHWISNBFQNCLS-UHFFFAOYSA-N	311.733	1.089	50	20	DDGD	
C[C@H]1C(=O)NCCCN1C(=O)NC[C@]1(C)C[C@H]1Br	1341972588	FQAHJLJTMLQSTI-SBMIAAHKSA-N	318.215	1.080	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H](C)N2CCN(C)CC2)cc1F	1347102194	LGFWAHZJWWDMLJ-ZDUSSCGKSA-N	323.416	1.396	50	20	DDGD	
COCC(=O)NCCC(=O)NNc1nc2c(C)cccc2s1	1348988542	ZZLYMTXUQTVTPP-UHFFFAOYSA-N	322.390	1.201	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2C[C@@H](C(=O)OC)C2)c(F)c1	1353715918	KNMPZGHFGYKQFG-AOOOYVTPSA-N	324.308	1.255	50	20	DDGD	
COC12CCC(C(=O)NNc3nc(C)cc(C)n3)(CC1)C(=O)C2	1518834522	OCNRRAHDVPALTG-UHFFFAOYSA-N	318.377	1.455	50	20	DDGD	
O=C(/C=C/c1cc(C(=O)O)co1)NN=c1cc[nH]cc1Cl	1601235063	KAPRYVRBWAZFDR-OWOJBTEDSA-N	307.693	1.605	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2n[nH]c3c2CCCC3)c(F)c1	1602383518	OZCNSZQFXFQYLH-UHFFFAOYSA-N	318.308	1.883	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)c1c[nH]nc1-c1cccnc1	1608948708	XNSJLJNWMQYGNN-UHFFFAOYSA-N	323.312	1.927	50	20	DDGD	
O=C(COc1ccc(CO)cc1)NNc1cccc(C(=O)O)c1	1601342200	JAGXWPURDUQXJZ-UHFFFAOYSA-N	316.313	1.399	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=Cc1cc(C(=O)O)co1	1608218953	CJELHPKOHXVLHV-UHFFFAOYSA-N	313.269	1.379	50	20	DDGD	
CCOC1CC(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)C1	1609237574	NPIFUEAMRYIXQP-UHFFFAOYSA-N	302.338	1.125	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(C(=O)O)cc1F)c1cn[nH]c1	1604290559	GQIQYPNEMSQHMB-ZETCQYMHSA-N	307.285	1.634	50	20	DDGD	
Cc1ccc(NNC(=O)c2cccc3ncnn23)cc1C(=O)O	1607809425	SQAAVPMKMCSVDN-UHFFFAOYSA-N	311.301	1.493	50	20	DDGD	
O=C(NCC[C@@H]1CCNC1)NNc1ccc(C(=O)O)cc1F	1610691380	YGEHLSQDXTYYEF-VIFPVBQESA-N	310.329	1.150	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)c1c(CN)cnn1C	1579646763	SQRCNWSKNRKZNA-UHFFFAOYSA-N	310.361	1.492	50	20	DDGD	
CCCN[C@@H](C)C(=O)NNC(=O)COc1ccc(C)c(C)c1	1577554547	KSUPPBBECBPCBF-ZDUSSCGKSA-N	307.394	1.218	50	20	DDGD	
O=C(NNc1ccnc(C(F)(F)F)c1)[C@@H]1C[C@]12CCNC2	1574333741	IZCIHBDMEZAQHE-CABZTGNLSA-N	300.284	1.543	50	20	DDGD	
COc1ccc(NNC(=O)[C@@]2(F)CCNC2)c(C(F)(F)F)c1	1579230586	SFTYXJMQKGBPBK-GFCCVEGCSA-N	321.274	1.859	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)OC	1847320076	FRJZYLOIWQZWON-SRVKXCTJSA-N	316.829	1.631	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1csc(Cl)c1	1593163340	PWXWYILPAIIEDE-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
CC(C)(CCl)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@@H]2F)C1	1841790491	RBMHYBLLNGXWED-MNOVXSKESA-N	316.804	1.813	50	20	DDGD	
C[C@H](CC(=O)NNc1ccc(F)c(C(=O)O)c1)n1ccnc1	1592252884	PXKDOTJHDKEQDD-SECBINFHSA-N	306.297	1.815	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CCCCC(=O)O	1594144039	IYXPWGOFAHOJCC-UHFFFAOYSA-N	308.334	1.030	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CC[C@H]2C(=O)O)c([N+](=O)[O-])c1	1594105974	SDKCLGDLIIXJOZ-DTWKUNHWSA-N	309.278	1.157	50	20	DDGD	
CC[C@@H](C(=O)O)C(=O)NNC(=O)Cc1ccc2ccccc2c1	1594755542	LUSCMQQHZQOAPF-CQSZACIVSA-N	314.341	1.641	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2ccc(C(=O)O)o2)CC1	1594418550	FHPFRXIKCXBKGZ-UHFFFAOYSA-N	307.350	1.550	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(C(=O)O)cc2F)c(C)nn1	1597431709	UQGSCGGWWYSHGC-UHFFFAOYSA-N	318.308	1.942	50	20	DDGD	
NC(=O)[C@H]1CCCC(=NNC(=O)c2cccc(C(=O)O)c2)C1	1776096083	KARRQLVTUIHEPM-VIFPVBQESA-N	303.318	1.146	50	20	DDGD	
CN(C)CC(=O)NN=Cc1csc2ccc(C(=O)O)cc12	1776042255	XVZCIXDPSHDUBV-UHFFFAOYSA-N	305.359	1.611	50	20	DDGD	
CS[C@H](C)CNC(=O)NNC(=O)c1cccc(N(C)C)c1	163691442	WZJSSFXJXTVQOF-SNVBAGLBSA-N	310.423	1.448	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)OC(C)(C)C)s1	166014215	UZMJXLMUZJQJJJ-UHFFFAOYSA-N	300.336	1.704	50	20	DDGD	
O=C(NCc1cccnc1)NNc1ncnc2ccsc12	151360187	NWGMUIRVYLWRPY-UHFFFAOYSA-N	300.347	1.913	50	20	DDGD	
N#Cc1cccc(NNC(=O)CNC(=O)NCc2ccco2)c1	152623256	UWGVIAVBGAFDHR-UHFFFAOYSA-N	313.317	1.094	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)c2cc(C)n[nH]2)c(C)c1	153225962	VDJIYKVBZLNJNF-UHFFFAOYSA-N	316.361	1.565	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)COCc2ccccc2)co1	153337320	OIJKYXRAZLSVPG-UHFFFAOYSA-N	303.318	1.215	50	20	DDGD	
Cc1ccccc1[C@H](C)CC(=O)NNc1ccc(C(N)=O)nn1	154282521	DRJOQMRCUOKUBV-LLVKDONJSA-N	313.361	1.521	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2C[C@](C)(OC)C2(C)C)nc1	157467675	LHMAKUVTEWLEGY-ABAIWWIYSA-N	308.382	1.920	50	20	DDGD	
CCN(CC(=O)NC)S(=O)(=O)c1ccc(CCCl)cc1	36900408	QTGVASKQDKITDB-UHFFFAOYSA-N	318.826	1.225	50	20	DDGD	
ICCN1CCO[C@@H]([C@@H]2CCCO2)C1	190933885	WVFHQMRPHSGTBY-VHSXEESVSA-N	311.163	1.301	50	20	DDGD	
O=C(COC(=O)C1CCCCC1)NNC(=O)c1ccccc1	3377075	YUVNIDWZXCGGHC-UHFFFAOYSA-N	304.346	1.571	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)CCCc2cccs2)n1	8292081	MYMLRDKYHJCJSS-UHFFFAOYSA-N	320.418	1.732	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(OC(F)F)c2)on1	103041713	VJGNJBZRTSZMCX-UHFFFAOYSA-N	311.244	1.659	50	20	DDGD	
CCC(=O)Nc1cccc(C(=O)NNC(=O)c2c[nH]nc2C)c1	109860075	JGORFPUKJDSNMM-UHFFFAOYSA-N	315.333	1.141	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)CSc1ccccc1	110758086	OOOCUKWFTDKUHC-SNVBAGLBSA-N	318.402	1.908	50	20	DDGD	
C[C@H](COc1ccc(F)cc1F)NC(=O)NNc1cccnn1	172493964	SLAQNMCXHAIEKS-SECBINFHSA-N	323.303	1.848	50	20	DDGD	
CCn1cc(NC(=O)C(=O)NNc2c(F)cccc2F)cn1	119858806	KCKHYJGZNZCLIH-UHFFFAOYSA-N	309.276	1.263	50	20	DDGD	
COCCn1c(C)c(C)c2cc(C(=O)NNC(C)=O)ccc21	171475341	UKIHUNYMLJJEHQ-UHFFFAOYSA-N	303.362	1.685	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(CCN(C)C)Cc1ccc(C)o1	178961568	AZRVWSMKPVOTFG-WYMLVPIESA-N	305.378	1.922	50	20	DDGD	
Cc1noc(CNC(=O)NNc2ccc(C(C)(C)C)nn2)n1	118575600	DUCCHVJDHGDLCN-UHFFFAOYSA-N	305.342	1.292	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N2C[C@H](C)OC(C)(C)C2)s1	170879184	MQWWLKAJLGLLAK-VIFPVBQESA-N	311.407	1.910	50	20	DDGD	
Cc1ccccc1[C@@H](C)CC(=O)NNC(=O)c1c[nH]nc1C	116195021	JXQHHVSURHLHKT-NSHDSACASA-N	300.362	1.981	50	20	DDGD	
CC(C)(C)CNC(=O)NNC(=O)Cc1cn2ccccc2n1	175373865	UBRNWQBMNUKOSF-UHFFFAOYSA-N	303.366	1.253	50	20	DDGD	
CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NNc1ccncc1	180527808	XUDHMIRLYGCSGA-GFCCVEGCSA-N	322.434	1.862	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)NCc2ccccn2)c1	181614555	LLWHRSWMUULLTA-UHFFFAOYSA-N	320.374	1.311	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc2c(c1)OCCO2	302902310	VWNFHNSECJHFIB-GMXVVIOVSA-N	316.357	1.655	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc2ccccc2c(=O)[nH]1	24283494	MJMSUDOFXWQJCI-UHFFFAOYSA-N	304.375	1.045	50	20	DDGD	
Cc1cccc(S(=O)(=O)NNC(=O)NCc2ccco2)c1	64939865	VBDWQDZBLDGWPV-UHFFFAOYSA-N	309.347	1.281	50	20	DDGD	
N#Cc1c(F)cccc1C(=O)NNC(=O)Cc1ccc(F)cc1	188909438	RRNQEVRTOLRNQM-UHFFFAOYSA-N	315.279	1.840	50	20	DDGD	
CCc1n[nH]c(=O)c(C(=O)NNc2ccc(F)cc2F)c1CC	128683288	SCVOANZKYWQGNI-UHFFFAOYSA-N	322.315	1.930	50	20	DDGD	
CC1(C)COCCN1CCNS(=O)(=O)CCCCCl	187149136	FVNRGBRQFVUTMN-UHFFFAOYSA-N	312.863	1.036	50	20	DDGD	
Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NN(C)C(N)=O	182665677	YWHFUZPWEAWCOR-ZCFIWIBFSA-N	321.303	1.207	50	20	DDGD	
CN(CCNC(=O)NNC(=O)c1ccc[nH]1)c1ccccc1	121605484	WURFTDBZTDJKPB-UHFFFAOYSA-N	301.350	1.095	50	20	DDGD	
COC[C@@H](Cc1ccccc1)N(C)C(=O)NNC(=O)C(C)(C)C	189526319	ZFUIXHBLJOXFLO-CQSZACIVSA-N	321.421	1.963	50	20	DDGD	
O=C(NCCNC(=O)c1cccs1)NNc1ccccn1	120430024	AOGAALQYILHYFI-UHFFFAOYSA-N	305.363	1.199	50	20	DDGD	
Cc1cc(C)cc(NC(=O)C(=O)NNc2cncc(Cl)n2)c1	128310783	YHOUYTOKHAWYBK-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
N#Cc1ccc(NNC(=O)CCCCNC(N)=O)cc1Cl	182380842	JILAHMJXPUHZTN-UHFFFAOYSA-N	309.757	1.493	50	20	DDGD	
C[C@H](NC(=O)NNc1ncccn1)[C@@H]1CCCN(C2CCC2)C1	182831315	RBGVKBPAGCQHOI-QWHCGFSZSA-N	318.425	1.756	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CS[C@H](C)[C@@H](C)O	121209692	RFJBOIPOBBQHJX-VXGBXAGGSA-N	310.419	1.187	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccc(Cl)cc1[N+](=O)[O-]	122669931	CABUICRMTRCHHR-UHFFFAOYSA-N	311.660	1.934	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](C(=O)NNc2ncnc3nc[nH]c23)C1(C)C	121646973	OTSKJBYQRUMZQV-DTWKUNHWSA-N	302.338	1.047	50	20	DDGD	
CCc1cccc(C(=O)NNc2nc3ccccc3c(=O)[nH]2)c1O	137195108	PYYYELFIKYEQAU-UHFFFAOYSA-N	324.340	1.948	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2c(Cl)cccc2Cl)CCN1	133275625	JFQIDBIQOVWWEJ-SSDOTTSWSA-N	302.161	1.963	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2ccc[n+]([O-])c2)cc1	47646713	XRRQIQZDAINWMK-UHFFFAOYSA-N	317.370	1.182	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cnn(Cc2ccccc2)c1	139387755	ZRMWFHNNUGXYJZ-UHFFFAOYSA-N	313.361	1.285	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCOC1)c1cc(Cl)ccc1Cl	49353284	KAKXXKSVMWFRCC-ZETCQYMHSA-N	303.145	1.791	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)n1	43042628	JPHOQHCOTWRQCM-DDTOSNHZSA-N	321.425	1.655	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)C(C)(C)O)c1ccc(F)cc1F	190052884	OVRRFLZENDLTRP-QMMMGPOBSA-N	300.305	1.377	50	20	DDGD	
O=C(NC[C@H]1CCCO1)NNC(=O)c1ccc2ccccc2n1	42870135	OMIBMLBYFYWCCJ-GFCCVEGCSA-N	314.345	1.358	50	20	DDGD	
Cc1ccc(NNC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1	192816322	ZLICEICQXIYBBQ-UHFFFAOYSA-N	316.361	1.303	50	20	DDGD	
CC(C)CNS(=O)(=O)c1ccc(CNC=C(C#N)C#N)cc1	132980307	HSWMHZGHVBZTHS-UHFFFAOYSA-N	318.402	1.642	50	20	DDGD	
O=C(CCSc1ccccn1)NNC(=O)NCC(F)(F)F	88255085	UXOKJQOCGYWLIO-UHFFFAOYSA-N	322.312	1.457	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cc(F)c(F)cc1Cl	194904304	HAUYXNQEJRHKJC-UHFFFAOYSA-N	319.695	1.305	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)c2ccncc2)s1	193104509	ULLWXEQRVPLUTJ-UHFFFAOYSA-N	304.375	1.874	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2cc(C)n(C)n2)c1	97513297	DWKIWFGEWKYJKH-UHFFFAOYSA-N	316.361	1.185	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)C(C)(C)c2ccccc2)CC1	266808413	FIZIIAJAUKGXJL-UHFFFAOYSA-N	318.373	1.455	50	20	DDGD	
O=C(NNC(=O)C1CCSCC1)c1cccc([N+](=O)[O-])c1	264834314	HZDKTOHMFVEKJN-UHFFFAOYSA-N	309.347	1.499	50	20	DDGD	
CCC1(C(=O)NNC(=O)c2cccc(OC)c2O)CCOCC1	272364378	SPQUECRDAJADNK-UHFFFAOYSA-N	322.361	1.369	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CN2CCC(C)CC2)c1	272831123	ORWZKCNLCCMOJL-UHFFFAOYSA-N	305.378	1.648	50	20	DDGD	
CC(C)CSCCNC(=O)NNC(=O)Cc1ccncc1	270092626	KDTVCAMNOHYDCV-UHFFFAOYSA-N	310.423	1.344	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1C(=O)NNC(=O)C(=O)Nc1ccccn1	279864643	KUNCPFXKLNIOCK-VXGBXAGGSA-N	318.377	1.384	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@H](NC(=O)NNC(=O)c2cccc(C)n2)C1(C)C	279776278	APISCCWAQHRYBT-WCFLWFBJSA-N	320.393	1.394	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CCCC(=O)OC)n1	274064604	IYAHWJRYRZGMJX-UHFFFAOYSA-N	309.370	1.109	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccc(O[C@H]2CCOC2)cc1	273544187	ZDPAELQACRYVQN-AWEZNQCLSA-N	319.361	1.807	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1CCCN1C1CCCC1	274145814	XZYOSHHNQSKXQE-LBPRGKRZSA-N	305.382	1.335	50	20	DDGD	
Cc1ccc(C#N)cc1S(=O)(=O)NNC(=O)OC(C)(C)C	274111521	WBVKEVNUABRYDA-UHFFFAOYSA-N	311.363	1.585	50	20	DDGD	
COc1cc(C(=O)NCC(Cl)Cl)cc2c1OCCO2	288103947	BFDIQQJDSZGJCO-UHFFFAOYSA-N	306.145	2.000	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	286315760	KQAACGDOUSBWBD-HTQZYQBOSA-N	302.252	1.937	50	20	DDGD	
CSSCCNC(=O)CNC(=O)c1cccc(F)c1	284280640	YUJJNBRYIGETJJ-UHFFFAOYSA-N	302.396	1.683	50	20	DDGD	
C[C@]1(C(N)=O)CCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C1	280814132	UDOSCABIFKGMHM-WQPBDQAGSA-N	300.318	1.657	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNc1nccnc1C1CCC1	287326154	XNSCGGBYNITHAV-UHFFFAOYSA-N	319.409	1.884	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H]([C@H]2CCOC2)C1)c1ccccc1	370999865	SWSIOCSGDGTGGA-KBPBESRZSA-N	303.362	1.399	50	20	DDGD	
O=C(NNC(=O)C(F)(F)C1(O)CCCC1)Nc1ccccc1	289130595	VGFXZMUPQCHYOY-UHFFFAOYSA-N	313.304	1.780	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(C)nc2c1cnn2C(C)C	286289089	JDZZXBISJKOFDV-UHFFFAOYSA-N	305.338	1.664	50	20	DDGD	
CCn1ccnc1C(=O)NNC(=O)CCCc1ccccc1	291452378	HFJHDNSHEXAZSN-UHFFFAOYSA-N	300.362	1.687	50	20	DDGD	
COCCN(C)NC(=O)c1cnn(Cc2ccc(OC)cc2)c1	294349966	KJYHJFSSDNNXRY-UHFFFAOYSA-N	318.377	1.163	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H](C)CO[C@H]2CCOC2)cc1	297966774	NKRAPETXRFIJTB-DOMZBBRYSA-N	323.393	1.905	50	20	DDGD	
Cn1nnc2c(C(=O)NNc3ccc(F)cc3F)ccnc21	801176183	QNZQXZBSXNSAKN-UHFFFAOYSA-N	304.260	1.398	50	20	DDGD	
C[C@H](Cc1cccc(F)c1)C(=O)NNC(=O)[C@H]1CCCCO1	295322732	GRISHJAWHIYZIB-BXUZGUMPSA-N	308.353	1.721	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CCN(c2ccccc2Cl)C1	290960591	ROTPMYYVTIPVKV-JTQLQIEISA-N	311.769	1.896	50	20	DDGD	
COc1ccccc1SCC(=O)NN=Cc1cnccn1	807982347	XVLCLETZEIZMGZ-UHFFFAOYSA-N	302.359	1.728	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@@H]2CCCc3occc32)O1	297079171	LYLKWAZZOZSMOR-NDMJEZRESA-N	307.350	1.555	50	20	DDGD	
Cc1cc(C)cc(OCCNC(=O)NNC(=O)[C@@H]2CCCO2)c1	291988902	QKHWAWUVVNTBMU-AWEZNQCLSA-N	321.377	1.192	50	20	DDGD	
CC[C@H]1[C@@H](C)CCN1CC(=O)NNC(=O)Cc1ccccc1C	299401510	SFVWLOIBAWWJBP-HOCLYGCPSA-N	317.433	1.805	50	20	DDGD	
CCCN(NC(=O)C1(O)CCSCC1)C(=O)OC(C)(C)C	804594174	NYPOHKZASPKBBF-UHFFFAOYSA-N	318.439	1.923	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CC2(O)CCCCC2)cc1	802053181	JXXMSDVTGZYKCV-UHFFFAOYSA-N	321.377	1.933	50	20	DDGD	
C#CCOc1ccccc1NC(=O)NNC(=O)[C@H]1CCCCO1	296835011	KPSWDMQOJKKHDT-CQSZACIVSA-N	317.345	1.420	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1cnnn1-c1ccccc1	807966001	OSYMXXSIAUOETF-UHFFFAOYSA-N	316.365	1.327	50	20	DDGD	
CC[S@@](=O)CC(=O)NNc1ccc(C(=O)OC)c(Cl)c1	295697315	PGCLHRPPFXFYHC-HXUWFJFHSA-N	318.782	1.338	50	20	DDGD	
COc1ccc(NNC(=O)Nc2ccc3nc(C)nn3c2)nc1	809897891	VMQZZGCEAJMMEN-UHFFFAOYSA-N	313.321	1.590	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)C(C)(C)Cc2ccccc2)O1	293990444	UILFMCHUKQRUHP-JSGCOSHPSA-N	304.390	1.970	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)[C@H]1CCCCO1)c1ccccc1	295392305	LOIUURHTMIYQLB-ZIAGYGMSSA-N	306.362	1.481	50	20	DDGD	
O=C(CCc1c[nH]c2ccccc12)NNC(=O)[C@H]1CCCCO1	295658746	VTQCMMOTXHINNJ-OAHLLOKOSA-N	315.373	1.817	50	20	DDGD	
CC(C)(C)OC(=O)NC(C)(C)C(=O)NNc1ncncc1F	294067303	QBKYMHIJOBYTLH-UHFFFAOYSA-N	313.333	1.362	50	20	DDGD	
Cc1[nH]c(C=NNC(=O)COCc2ccccc2)cc1C(=O)O	800813298	WCRFMQAFBUXCCQ-UHFFFAOYSA-N	315.329	1.688	50	20	DDGD	
CN(NC(=O)c1cc(C2CC2)nc2c1c(O)nn2C)C1CC1	819646731	CGTOQFKRVKTROW-UHFFFAOYSA-N	301.350	1.290	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1c[nH]c(C(F)(F)F)c1	815747060	GCIQKXQYVGHJTL-UHFFFAOYSA-N	312.251	1.432	50	20	DDGD	
CN(NC(=O)c1cc(F)c(N2CCOCC2)c(F)c1)C1CC1	819653442	PAGWXORGKREWDJ-UHFFFAOYSA-N	311.332	1.540	50	20	DDGD	
O=C(NNC(=O)C1(c2ccc(F)cc2)CCC1)c1ccnnc1	817692472	PQRUGOBZCGGCBH-UHFFFAOYSA-N	314.320	1.499	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNc2ncncc2F)cc1	817081776	CHSJCYKEKGYYMW-UHFFFAOYSA-N	304.281	1.549	50	20	DDGD	
CC(C)c1nn(-c2ccccc2)cc1C(=O)NN(C)C(N)=O	819449543	MRYJOOHQJCDTOU-UHFFFAOYSA-N	301.350	1.651	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=C1CCCc2occc21	814827884	ZLSVMUUZOYYFNZ-UHFFFAOYSA-N	317.370	1.928	50	20	DDGD	
CSCCCC=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1	814766973	UYBMFYUOBLREFJ-MCIONIFRSA-N	315.483	1.977	50	20	DDGD	
O=S(=O)(CCCCl)NCc1ccnc(-n2cccn2)c1	726868237	PNNDPRWWVSHSRE-UHFFFAOYSA-N	314.798	1.316	50	20	DDGD	
CC(C)c1scnc1C(=O)NNC(=O)NCC(F)(F)F	813559190	YTGADVUPLCXRGS-UHFFFAOYSA-N	310.301	1.773	50	20	DDGD	
CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1occc1C	819772730	KJAXRCUTFGUNOW-UHFFFAOYSA-N	310.317	1.922	50	20	DDGD	
CCN(CCO)NC(=O)C1CCC(NC(=O)C(C)(C)C)CC1	823879179	GUQDRTSSWUKLPF-UHFFFAOYSA-N	313.442	1.053	50	20	DDGD	
CCN(CCO)NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1	823841870	MCGKUHSGYMSRBX-AWEZNQCLSA-N	319.405	1.002	50	20	DDGD	
CCCCC[C@@H](O)C(=O)NNc1nc(-c2ccncc2)no1	822979745	FMKWCATWHNNQRE-LLVKDONJSA-N	305.338	1.516	50	20	DDGD	
CN(NC(=O)Nc1cc(Br)cn(C)c1=O)C1CC1	824226394	WXHOHMWWJCLFHY-UHFFFAOYSA-N	315.171	1.279	50	20	DDGD	
CS(=O)(=O)CCC(=O)NNc1cc(Cl)nc(Cl)c1	822443134	OTCBTDHWVALQMV-UHFFFAOYSA-N	312.178	1.266	50	20	DDGD	
C[C@@H](CC(=O)O)C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1	827304215	RFAOPHROBVSQFA-ZETCQYMHSA-N	322.346	1.010	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)c2ccc(-c3nn[nH]n3)nc2)c1	826284718	CMPAFPCAFUUGPM-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
CSCCNC(=O)NNC(=O)c1cccc(OC(F)F)c1	728751188	KXNJXBPELLXQDO-UHFFFAOYSA-N	319.333	1.595	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)c1cc(-c2nn[nH]n2)c[nH]1	823281459	SOBLZBUYMIXYRP-UHFFFAOYSA-N	305.248	1.230	50	20	DDGD	
CCOC(=O)N1CC[C@H](NC(=O)NCCSSC)C1	495666635	AMTWFBQNOFAXGJ-VIFPVBQESA-N	307.441	1.528	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2c3ccccc3CC[C@H]21)c1cccc(B(O)O)c1	585008595	JVXZENPEERNCMI-KZNAEPCWSA-N	321.185	1.215	50	20	DDGD	
O=C(N[C@@H](c1cccs1)C1CC1)c1ccc(B(O)O)c(F)c1	584929321	QWJARWNEIJUMDV-CQSZACIVSA-N	319.166	1.448	50	20	DDGD	
CC(C)N1CCC[C@H](CNC(=O)NNC(=O)C2CCCC2)C1	729619537	UJVLRPUICHRPGC-CYBMUJFWSA-N	310.442	1.627	50	20	DDGD	
CC(C)Oc1cccc([C@H](C)NCc2ccc(B(O)O)o2)c1	585015712	KRZBJSNHZNUCQR-LBPRGKRZSA-N	303.167	1.597	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cc(Cl)ccn1	826447063	LJMBWTZJMCBTAD-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
C[C@H]1CC(c2nc(-c3cccc(B(O)O)c3)no2)C[C@H](C)O1	585053777	PWKLUJNVUSQFKN-UWVGGRQHSA-N	302.139	1.087	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CCCCNC(=O)OC(C)(C)C	495224003	VYNHUYJLTKGYIF-UHFFFAOYSA-N	316.402	1.420	50	20	DDGD	
CCCCC(COC)=NNC(=O)c1cccc(-c2nn[nH]n2)c1	736439212	SMLJXGBEYOYUIY-UHFFFAOYSA-N	316.365	1.789	50	20	DDGD	
CC(C)Cc1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cc1	585057424	DNOSZTXYJQZCJH-ZDUSSCGKSA-N	311.212	1.123	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1CCN(CCCOCC)C[C@H]1C	491159684	JFGSGUHQNLTJIO-ILELCVFRSA-N	323.437	1.684	50	20	DDGD	
C[C@@H]1Oc2cc(F)ccc2[C@H]1NCc1cccc(B(O)O)c1	585040798	QDGYEWVEUCAOLW-QFYYESIMSA-N	301.126	1.117	50	20	DDGD	
CC(C)C(=O)Nc1cccc(NCc2ccc(B(O)O)o2)c1	585012018	CISQTYNFVKEDOO-UHFFFAOYSA-N	302.139	1.166	50	20	DDGD	
CCC(CC)[C@@H]1C[C@@H](NCc2ccc(B(O)O)cc2)CCO1	585034343	OTBSQDQUIFYOTQ-IRXDYDNUSA-N	305.227	1.440	50	20	DDGD	
Cc1n[nH]cc1CCCNC(=O)[C@@]1(C)C[C@H]1Br	906103620	RBUMVRLBZOPRHA-PWSUYJOCSA-N	300.200	1.940	50	20	DDGD	
Cc1ccc(-n2ncc(C(=O)N3CC[C@@H](B(O)O)C3)c2C)cc1	585068330	ATYHAZHEUPUNSN-CYBMUJFWSA-N	313.166	1.178	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)OCc2noc(C(C)(C)C)n2)cn1	837969463	ODTXHAFDIQIHEU-VZUCSPMQSA-N	315.333	1.751	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCCO1)c1ccc(OCC#N)cc1	834989957	MADXGUJAGSMZBL-OAHLLOKOSA-N	301.346	1.998	50	20	DDGD	
O=C(O)NNC(=S)NCc1ccc(Br)cc1	832748751	SYAGXFRFBAZHIW-UHFFFAOYSA-N	304.169	1.596	50	20	DDGD	
CC[C@@H]1C[C@H]1CNC(=O)NNC(=O)c1c(C)nc2ccccn12	836191520	LYYGSHLKHBJOMI-NEPJUHHUSA-N	315.377	1.633	50	20	DDGD	
CC(C)CCn1ccc(NC(=O)NNC(=O)[C@H]2CCCCO2)n1	836460925	AXDBJNWWHHSIMR-GFCCVEGCSA-N	323.397	1.651	50	20	DDGD	
CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)NCc1ccc(Cl)cc1	907644871	YFWQWTSGDBKXDH-BXKDBHETSA-N	313.785	1.577	50	20	DDGD	
C[C@]1(C(=O)N2CC[C@@H](CS(C)(=O)=O)C2)C[C@@H]1Br	908354927	OWXNDTDSKOAAQV-YWVKMMECSA-N	324.240	1.053	50	20	DDGD	
COCc1cccc(C(=O)NNc2ccc(C(=O)O)cn2)c1	833726058	PNPNVWWWZPSTII-UHFFFAOYSA-N	301.302	1.683	50	20	DDGD	
O=C(NCC1(c2ccccc2)CCCC1)c1ccc(B(O)O)cc1	584926030	BGAQTDBGSFWFTD-UHFFFAOYSA-N	323.201	1.608	50	20	DDGD	
Cn1ccnc(NNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)c1=O	839696792	PWYHQECUMGTKSA-NWDGAFQWSA-N	318.764	1.681	50	20	DDGD	
Cc1ccc(C)c(C2=NO[C@@H](C(=O)NNc3ccncn3)C2)c1	908552082	ZVUAPPGCJFPWJC-CQSZACIVSA-N	311.345	1.730	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@@]2(Cl)C[C@H]3CC[C@H]2O3)c1	906566688	SAPPSDGRGYRXBB-LALPHHSUSA-N	319.748	1.248	50	20	DDGD	
C[C@H]1CCC[C@@H](N2CCC(=NNC(=O)c3ncon3)CC2)C1	901290102	OKVQVYLPDPYSGU-WCQYABFASA-N	305.382	1.830	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@]12CCCc1ccccc12)c1ncon1	832825884	KIJXXTHARSZQEF-MLGOLLRUSA-N	312.329	1.125	50	20	DDGD	
CC[C@H](C)n1ncc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1C	831722408	YMPQMPLTDKNWNP-MVWJERBFSA-N	323.397	1.740	50	20	DDGD	
O=C(c1ccc(-c2ccccc2F)o1)N1CC[C@H](B(O)O)C1	585076146	WKNYFYNHFWYJMS-JTQLQIEISA-N	303.098	1.775	50	20	DDGD	
CC(=O)N[C@H](C)C(=O)NNc1cc(F)ccc1Br	839880260	BMJBEQGPLPSKBW-ZCFIWIBFSA-N	318.146	1.556	50	20	DDGD	
CSc1ccccc1[C@@H](C)NCc1ccccc1B(O)O	585041539	DSHYQPBNVIKRAO-GFCCVEGCSA-N	301.220	1.939	50	20	DDGD	
CCCCCCO[C@@H](C)C(=O)NNC(=O)[C@H]1CCCCO1	839777472	DYESSKVMWUVKHN-QWHCGFSZSA-N	300.399	1.688	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCO[C@@H](CC(=O)O)C1	909266793	KRVJSHPLXJTGKH-WPRPVWTQSA-N	322.199	1.498	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CCCN(C)C(=O)O	830566746	FYOXMYDWVSOTSE-UHFFFAOYSA-N	307.350	1.075	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCC[C@H]1c1ccccc1	732532707	NVCRGXAEOWDYEO-AAEUAGOBSA-N	323.418	1.364	50	20	DDGD	
C/C=C(\CC)C(=O)NNC(=O)c1csc(N2CCOCC2)n1	588574495	MSGWDSJNGPPQOD-XCVCLJGOSA-N	324.406	1.097	50	20	DDGD	
OB(O)c1ccc(-c2noc([C@@H]3CC[C@H]4[C@H](C3)C4(F)F)n2)cc1	585051899	OGTJUKYEBWMGQR-USWWRNFRSA-N	320.104	1.565	50	20	DDGD	
O=C(c1cc(Cl)ccc1OC(F)F)N1CC[C@H](B(O)O)C1	585070637	BMBURBFDFOGIEI-ZETCQYMHSA-N	319.500	1.630	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNC(=O)C(C)(C)c1ccccc1	838776963	WLPWSBYMTMNCBI-KGLIPLIRSA-N	319.405	1.862	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc2ncsc2c1	831236029	QKTZANKBWBIYPJ-SCZZXKLOSA-N	320.374	1.874	50	20	DDGD	
CS(=O)(=O)CCNC(=O)NNc1ccc(F)cc1Cl	916505580	UPAZXVOICIHRPX-UHFFFAOYSA-N	309.750	1.150	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1sccc1-c1nn[nH]n1	735592692	CWAQRANKQRCUBM-UHFFFAOYSA-N	308.367	1.125	50	20	DDGD	
COCCC1(C(=O)NNc2cc(O)nc3ncccc23)CCC1	913991712	CFGXJYFUTIQOTF-UHFFFAOYSA-N	316.361	1.985	50	20	DDGD	
O=C(NNc1cccc(F)c1F)N[C@H]1CCCN(C(=O)O)C1	831742487	HTYSFCGXTIETIV-QMMMGPOBSA-N	314.292	1.733	50	20	DDGD	
CCc1ncncc1C(=O)NNC(=O)COc1ccc(C)cc1	916128666	VLOTWPQNFSAPPJ-UHFFFAOYSA-N	314.345	1.187	50	20	DDGD	
CC(C)OCCCNC(=O)/C(C#N)=C\c1cnn(C)c1Cl	834412824	SQYCAGBOECCEOE-XFFZJAGNSA-N	310.785	1.912	50	20	DDGD	
CC[C@H](CNC(=O)NNc1ccc(F)c(C(=O)OC)c1)OC	838596275	CIKMUSWMYSSEIB-SNVBAGLBSA-N	313.329	1.663	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1COc2ccc(F)cc21	918152616	MDPQREYUNBWMMN-UHFFFAOYSA-N	306.322	1.699	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)N[C@H]1CCCNCC1	841978041	PURGCIZLEWLGMK-VIFPVBQESA-N	306.395	1.460	50	20	DDGD	
CCn1c(O)nc2ccc(C(=O)NNC(=O)CC3CC3)cc21	848144084	JTIHCWMYTIHRHM-UHFFFAOYSA-N	302.334	1.323	50	20	DDGD	
CS[C@H](C)CC(=O)NNc1ncc(Br)cn1	848321033	GNQXKEKUYQVPTB-ZCFIWIBFSA-N	305.201	1.824	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cc(CO)on1	748013581	NCFLOUQIFZBQSB-UHFFFAOYSA-N	319.361	1.144	50	20	DDGD	
O=C(NCCS(=O)(=O)C1CC1)NNc1c(F)cccc1F	840448700	UQSQYXGPOMNEGK-UHFFFAOYSA-N	319.333	1.168	50	20	DDGD	
CCOc1ccc(OC(C)(C)C(=O)NN(C)C[C@H](C)O)cc1	910174937	IQPMMVQWYWZNTR-LBPRGKRZSA-N	310.394	1.587	50	20	DDGD	
CCC(CC)(C(=O)NNC(=O)N(C)C)C(=O)OC(C)(C)C	845337053	RNWHLLIJVDXTRQ-UHFFFAOYSA-N	301.387	1.437	50	20	DDGD	
CC(C)=CCOc1cccc(CC(=O)NN(C)C[C@H](C)O)c1	910147949	WSCFNSMMYNGXEO-AWEZNQCLSA-N	306.406	1.918	50	20	DDGD	
O=C(NC[C@H]1CCCCN1)NNC(=O)c1cc2ccccc2o1	841920859	NQFGYOYMIUSWOD-GFCCVEGCSA-N	316.361	1.519	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1ccc(OCC#N)cc1	745590554	AVBINWKZEZQWBH-UHFFFAOYSA-N	302.334	1.355	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H](C)Cc1cnc2ccccc2n1	910144387	HPQLWTAJDIUMBA-NEPJUHHUSA-N	302.378	1.152	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C1CC[C@@H](C(=O)O)c2ccccc21	842561577	RTEQLKMHBJYLHL-COPLHBTASA-N	316.357	1.894	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccnn2CC(C)C)n1	843813553	KYWRJBVPMCURJK-UHFFFAOYSA-N	304.354	1.403	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNC(=O)c2ncccn2)cc1	743281923	DWOBFLNZCYGXOY-UHFFFAOYSA-N	300.318	1.339	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H](C)CCc2cccc(F)c2)nc1O	743295472	MTGIEZOSVCRFOK-VIFPVBQESA-N	319.340	1.737	50	20	DDGD	
CC[C@H](C)C(=O)NN=Cc1ccccc1OCC(=O)N(C)C	920375035	ONMFFPSOXDTNMW-LBPRGKRZSA-N	305.378	1.650	50	20	DDGD	
O=C(CCCn1cccn1)NNC(=O)c1cc2c(s1)CCC2	747901244	SJLMWXYKYSPQBV-UHFFFAOYSA-N	318.402	1.675	50	20	DDGD	
CC(=O)Nc1ccccc1CNC(=O)NNC(=O)C1CCC1	743641415	DHFDCGCCHOZGPF-UHFFFAOYSA-N	304.350	1.276	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1cc(F)ccc1F	750937189	SUFLKQNJQKLPPN-UHFFFAOYSA-N	321.283	1.828	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)N[C@@H]1CCn2ccnc2C1	922077607	NRZVPWBECKPRIF-SNVBAGLBSA-N	307.304	1.802	50	20	DDGD	
CO[C@H](Cc1ccccc1)C(=O)NNC(=S)N[C@H](C)C1CC1	855095553	PJMILUTYZIKNPK-BXUZGUMPSA-N	321.446	1.538	50	20	DDGD	
C[C@H](CCC(C)(C)C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1	754043848	SRCKUTKRNFAKPY-MNOVXSKESA-N	318.439	1.031	50	20	DDGD	
O=C1C[C@H](C(=O)OC[C@H](CBr)C2CC2)CCN1	859594123	QHQVSVHZYSETLB-ZJUUUORDSA-N	304.184	1.477	50	20	DDGD	
CCc1nc([C@H](C)NC(=O)NNC(=O)c2cn[nH]c2)cs1	858211513	OIHWMBMRPPAWCM-ZETCQYMHSA-N	308.367	1.134	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccn(-c2ccc(Cl)cc2)n1	756855993	JPFGHVOWRAJKGX-UHFFFAOYSA-N	304.737	1.697	50	20	DDGD	
CNc1ccc(NC(=O)NNC(=O)Cn2nc(C)cc2C)cc1	859737758	PKLWYLRCUHEFOS-UHFFFAOYSA-N	316.365	1.395	50	20	DDGD	
C[C@H](OCC1CC1)C(=O)NNC(=O)c1ccc(Cl)cc1O	920808827	OYIDJJREEXEVOI-QMMMGPOBSA-N	312.753	1.622	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@H]2C1	852030299	DORWOGWLIDCQEZ-OLZOCXBDSA-N	303.362	1.538	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cncn1-c1ccc(F)cc1	757780750	MHSFHUOOCKXTNJ-UHFFFAOYSA-N	314.320	1.576	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)Cc2ccc(Cl)cc2)C1	858985515	GHKCWDBKJHDGPE-HAQNSBGRSA-N	311.769	1.390	50	20	DDGD	
CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)NNc1ncccc1F	852693140	FYHNZQFOIJBDKU-IAQYHMDHSA-N	324.356	1.969	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1coc2c1C(=O)CCC2	855087050	CPRLJZBZXGEUKR-UHFFFAOYSA-N	321.402	1.708	50	20	DDGD	
COCCOC[C@H](C)NC(=O)NC[C@]1(C)C[C@@H]1Br	856840350	PWGAXQGBKHMUBB-NHCYSSNCSA-N	323.231	1.511	50	20	DDGD	
Cc1ccc2cccc(S(=O)(=O)NNC(=O)N(C)C)c2n1	753982213	UTIYXMSHJVNYEA-UHFFFAOYSA-N	308.363	1.008	50	20	DDGD	
COc1cc(C(=O)NNC(=O)OCC(F)(F)F)ccc1O	856022902	PXQLCQDWFNVAOE-UHFFFAOYSA-N	308.212	1.334	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1C(=O)NNC(=O)c1ccc[nH]1	755319013	MFLDIWKUMPXCOF-UHFFFAOYSA-N	304.262	1.006	50	20	DDGD	
Cc1cc(C)cc(C2(C(=O)NNC(=O)Cc3cc[nH]n3)CC2)c1	755284796	FTUBXAUMPQAKRE-UHFFFAOYSA-N	312.373	1.448	50	20	DDGD	
C[C@@H]1CC[C@@H](C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)C1	855833250	IKUVUWFKNXYIFG-VXGBXAGGSA-N	311.426	1.513	50	20	DDGD	
C[C@@H]1CC/C(=C\C(=O)NNC(=O)Cc2cn3ccccc3n2)C1	753632636	RWUDXYXFKPMVOI-AUWXEVLLSA-N	312.373	1.771	50	20	DDGD	
CC[C@H](C)n1ncc(NC(=O)NNC(=O)COC)c1C1CC1	757798891	FNVWCTSDEKBWJO-VIFPVBQESA-N	309.370	1.531	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)N[C@H]1Cc2cccc(O)c2C1	759484335	JMZOASIMKGQAHW-NSHDSACASA-N	305.378	1.626	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(C2CC2)cc1	757881792	JMZIQLOBXXMIIS-NSHDSACASA-N	321.377	1.768	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)CC(F)(F)F)C1	751063620	ORKNUQRZNIKHRQ-HTQZYQBOSA-N	310.272	1.066	50	20	DDGD	
CCCCc1nnc(NC(=O)NNC(=O)c2c[nH]nc2C)s1	755424490	UVLXNKGVFNTPNX-UHFFFAOYSA-N	323.382	1.379	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@H](SC)C(C)(C)C)n1	753283103	KFJLGQNGTBLBRU-SECBINFHSA-N	313.427	1.889	50	20	DDGD	
C[S@](=O)c1cccc(NC(=O)NNC(=O)c2ccncc2)c1	756523812	FEVAOQDYJHAWEW-QFIPXVFZSA-N	318.358	1.286	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1c[nH]nc1-c1ccccc1F	755610815	JZVLFLJGIRHYCF-UHFFFAOYSA-N	317.324	1.191	50	20	DDGD	
COc1cccc([C@H](CNC(=O)NNc2ccncn2)OC)c1	858654900	VGXRLGXZVDYXSJ-ZDUSSCGKSA-N	317.349	1.499	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCc2ccc([N+](=O)[O-])cc21	754598059	LBSLNKYCCSHBIF-UHFFFAOYSA-N	320.349	1.151	50	20	DDGD	
O=S(=O)(CBr)N[C@H]1CNc2ccccc2C1	850589984	RJIWJBBFLQGMAH-SECBINFHSA-N	305.197	1.295	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1cncc(OCC)c1	856720192	DXIPOXZKSHLPRC-RIYZIHGNSA-N	303.362	1.930	50	20	DDGD	
CC1CCN(C[C@@H](C)NC(=O)NNc2ccc(F)cn2)CC1	852603525	MHWJRHLTBPHBPV-GFCCVEGCSA-N	309.389	1.967	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@]1(C)CCOc2ccccc21	930716416	CYELMTUHINZBAW-INIZCTEOSA-N	305.378	1.857	50	20	DDGD	
COCCCOCC(=O)NNc1ccc([N+](=O)[O-])cc1F	855622590	HNMAKFBWUKSEQD-UHFFFAOYSA-N	301.274	1.230	50	20	DDGD	
CCCCNC(=O)NN=C[C@@H]1CCCO[C@H]1c1nccn1C	853295373	RBSCTPVPJFPJGX-QWHCGFSZSA-N	307.398	1.973	50	20	DDGD	
COc1cc(CC(=O)NNC(=O)OCC(F)(F)F)ccc1O	856019600	YKQRBNSPICOQJJ-UHFFFAOYSA-N	322.239	1.263	50	20	DDGD	
CCOc1cc(F)ccc1NC(=O)NNC(=O)c1cnccn1	755964439	FCOUFKJUXLMTIO-UHFFFAOYSA-N	319.296	1.481	50	20	DDGD	
CC1(C)CCC[C@@H]1NCC(=O)NNC(=O)c1cccc(C#N)c1	755055266	KNFCZLBJUPQYMG-AWEZNQCLSA-N	314.389	1.488	50	20	DDGD	
Cc1nn(CC(F)F)cc1C(=O)NNc1ncc(F)cn1	935125282	IBIFNUSUILHNSX-UHFFFAOYSA-N	300.244	1.143	50	20	DDGD	
CCn1ccnc1C=NNC(=O)c1cnn(-c2ccccc2)c1	755723990	YLQWAUMZDWGYMU-UHFFFAOYSA-N	308.345	1.853	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@@H]1COc2c(Cl)cccc21	757775549	JUVKWLBNEIJTIK-LLVKDONJSA-N	309.753	1.904	50	20	DDGD	
CCn1cc(C(=O)NNc2ccc(C(=O)OC)cc2F)c(C)n1	861940625	YUGOARDBVLIODX-UHFFFAOYSA-N	320.324	1.894	50	20	DDGD	
O=C(CCc1ccc(O)nc1)NNCC(F)(F)C(F)(F)F	863099494	GLEORFHZBWZOEQ-UHFFFAOYSA-N	313.226	1.538	50	20	DDGD	
O=C(CCn1cccc1)NNC(=O)CSc1ccccc1O	765249264	QUVTUITZYUUVDU-UHFFFAOYSA-N	319.386	1.524	50	20	DDGD	
O=C(NN=Cc1csc(C(F)(F)F)c1)C(=O)NC1CC1	863076442	RQPSYVGBXFMDKV-UHFFFAOYSA-N	305.281	1.496	50	20	DDGD	
CC(C)(C(=O)NN=c1cc[nH]cc1)c1ccc([N+](=O)[O-])cc1F	762662271	OVMYIYAWPWFKHD-UHFFFAOYSA-N	318.308	1.972	50	20	DDGD	
OB(O)c1cccc(CNc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)c1	863891096	KSUIOJBKPDUEGU-KXBFYZLASA-N	322.217	1.967	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCCC(C)=O)cc1OC	767927776	BMNDIURDYNWHEN-UHFFFAOYSA-N	308.334	1.224	50	20	DDGD	
O=S(=O)(CBr)N1CCC[C@@H](c2ccncc2)C1	867439478	PVOCQVODEBEBAA-LLVKDONJSA-N	319.224	1.943	50	20	DDGD	
COc1nccnc1NNC(=O)c1[nH]c(-c2ccccc2)nc1C	764469876	MMPCXLNCDDQSTO-UHFFFAOYSA-N	324.344	1.941	50	20	DDGD	
CCNC(=O)NNC(=O)Cn1cc(-c2ccccc2)c(C)n1	767724411	UBEILWKJMFDCCZ-UHFFFAOYSA-N	301.350	1.209	50	20	DDGD	
Cc1ccc2nc(C(=O)NNC(=O)NCC(F)(F)F)cn2c1	861515346	WQKCDHMYWLXMAX-UHFFFAOYSA-N	315.255	1.149	50	20	DDGD	
CC(=O)NC1CCC(NS(=O)(=O)CC(C)(C)CCl)CC1	866702226	XYRDXCYBYMUQPG-UHFFFAOYSA-N	324.874	1.618	50	20	DDGD	
O=C(NN=Cc1ccc(C(F)(F)F)s1)C(=O)N1CCCC1	761804199	PPJYMBBQHVWGIB-UHFFFAOYSA-N	319.308	1.839	50	20	DDGD	
O=C(NN=Cc1ccc(F)cc1Cl)[C@H]1CCS(=O)(=O)C1	767761112	HTGCLGDDTTXLAW-VIFPVBQESA-N	318.757	1.364	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccc(C(C)(C)C)s1	869907762	DEGZNJAYRTVNGU-UHFFFAOYSA-N	314.407	1.470	50	20	DDGD	
CCOC(=O)N1CSC[C@H]1C(=O)NNc1cccc(F)n1	935963221	ZKCBMWLIUMQAHA-QMMMGPOBSA-N	314.342	1.195	50	20	DDGD	
Cc1nc2scc(C3CC3)n2c1C=NNC(=O)CN(C)C	764691197	ZFXCDQXMYSIBNN-UHFFFAOYSA-N	305.407	1.593	50	20	DDGD	
C[C@@H](NNC(=O)[C@]1(C2CCCC2)CCNC1=O)C(F)(F)F	862323267	TVSZUZZJUGJKJY-PELKAZGASA-N	307.316	1.255	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1cnc(Cl)c(F)c1	761951789	YOEOINHBZCJLDW-UHFFFAOYSA-N	324.765	1.167	50	20	DDGD	
C[C@@H](CN1CCCCCC1)C(=O)NN=C1CCN2CCC[C@@H]12	765568767	GGISOPWWJHKXJI-HOCLYGCPSA-N	306.454	1.839	50	20	DDGD	
Cc1cc(=NNC(=O)C[C@H](C)NC(=O)C2CCCC2)cc[nH]1	862511235	IBHVWANQGCKNFE-LBPRGKRZSA-N	304.394	1.340	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C=NNC(=O)NCCCOC)c1C	863084093	AFHABGZTEDFLJU-UHFFFAOYSA-N	324.381	1.478	50	20	DDGD	
CCO[C@H](CC(=O)NNC(=O)COc1ccc(C)cc1)C(C)C	760282383	BKWINSIDIHNGAR-OAHLLOKOSA-N	322.405	1.972	50	20	DDGD	
O=C(NC[C@H](O)c1ccc(F)cc1)NNC(=O)C1CCCC1	767874926	PZJJISAAQWRZRO-ZDUSSCGKSA-N	309.341	1.380	50	20	DDGD	
O=C(NNC(=O)C1CSC1)c1cccc(OC(F)F)c1	865158793	QPMJXBGQIFCFFB-UHFFFAOYSA-N	302.302	1.412	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CCC(=O)[C@H](C)C2)nc1	765249791	QFBAMJHSVYWNDN-ZJUUUORDSA-N	305.334	1.317	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](C)Oc1ccccc1F	764482494	YBACJYUAEOLDCD-SECBINFHSA-N	306.297	1.535	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2ccc(O)c(Br)c2)n[nH]1	764795230	OMDCFVGBFZXEFK-UHFFFAOYSA-N	323.150	1.950	50	20	DDGD	
CC[C@H](C)CCNC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1118818723	QTXLUWPOMUMOCU-OPQQBVKSSA-N	319.243	1.829	50	20	DDGD	
COCCOCC(=O)NN=Cc1cn(C)c2ccc(F)cc12	872400915	XZBJJRKWUKQTMG-UHFFFAOYSA-N	307.325	1.431	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCc1ccn(-c2ccccc2)n1	875196187	VJMCUFAUXBRJIY-UHFFFAOYSA-N	317.349	1.327	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)CCCC(N)=O	873853785	BRUAOASEDDZSDG-UHFFFAOYSA-N	322.434	1.531	50	20	DDGD	
N#CSCCCNC(=O)CCn1cnc2sccc2c1=O	773588867	QNQVGDMJJIPIOD-UHFFFAOYSA-N	322.415	1.569	50	20	DDGD	
CC1=NO[C@@H](C(=O)NNC(=S)Nc2cccc(Cl)c2)C1	873786956	NMKZKYRHJBEKIH-SNVBAGLBSA-N	312.782	1.822	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)C(=O)NN=C1CCCOCC1	771561368	KJWHZIPJDKWFNR-UHFFFAOYSA-N	323.780	1.629	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)Cc2ccoc2)c1	771869179	VTFXJGWBARAJMY-UHFFFAOYSA-N	304.302	1.301	50	20	DDGD	
Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC=C(C#N)CC1	779591888	YMXALCMPGLCYCC-UHFFFAOYSA-N	300.318	1.997	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C1(Br)CC1	874450211	SIZJTZZPEWLFTQ-UHFFFAOYSA-N	313.151	1.384	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)Nc2ccncn2)c1	770769187	UWCXHOKMUHWPJZ-UHFFFAOYSA-N	315.333	1.325	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1cnc(C2CC2)[nH]1	1116251115	LCDKNSVLWGUVGF-UHFFFAOYSA-N	311.305	1.489	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)C(C)(C)c1ccc(F)cc1	779817368	PULZSOZXBGAEHN-UHFFFAOYSA-N	309.341	1.951	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](C[C@@H]2CCOC2)C1	773698991	FMAISQDWDCNSPR-IHRRRGAJSA-N	311.426	1.071	50	20	DDGD	
O=C1CSc2ccc(NC(=O)NNc3ncccn3)cc2N1	775468074	LSDOKTGQXYPHPG-UHFFFAOYSA-N	316.346	1.669	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cc(C(C)=O)cn1C	777827213	AIIPQYQLPLHVRQ-UHFFFAOYSA-N	315.329	1.771	50	20	DDGD	
CO[C@@H](C)C(C)=NNC(=O)C(=O)NCc1ccc(Cl)cc1	771566927	AOIKYHQMMKCDLX-JTQLQIEISA-N	311.769	1.483	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2cccc(Cl)c2)c(O)n1	773746125	WKKHZBSPNKUYCK-UHFFFAOYSA-N	320.736	1.831	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNC(=O)c1ccc(Cl)cc1O	770853800	VJZBHZQYKBUFGH-UHFFFAOYSA-N	322.752	1.416	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cccc([N+](=O)[O-])c1O	772889436	NOLBLSRHYWIHKG-UHFFFAOYSA-N	317.305	1.971	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](C)Cc1cnc2ccccc2n1	887149283	QIOPHMUFVLKSSM-ZDUSSCGKSA-N	324.384	1.759	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cccc2c1N(C)C(=O)CO2	881264195	YMIVYOPZRWIHJU-UHFFFAOYSA-N	320.349	1.241	50	20	DDGD	
CC[C@@H](C)n1nc(C(=O)NNc2ncnc3[nH]cnc23)cc1C	778506161	MSHQZHVVHKTQNO-MRVPVSSYSA-N	314.353	1.586	50	20	DDGD	
CSC1(CNC(=O)NNc2ccc(C#N)cn2)CCOCC1	888395119	MWSOSFKHGZGYGM-UHFFFAOYSA-N	321.406	1.492	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(F)c1	880318258	CRVCBGYXTJIACV-SCZZXKLOSA-N	311.313	1.412	50	20	DDGD	
C[C@@H](c1ccccc1)[C@H](NS(=O)(=O)CCCCl)C(N)=O	882215389	SAUYOXVDXOTUGT-JQWIXIFHSA-N	318.826	1.192	50	20	DDGD	
CN(C)Cc1cc(NC(=O)NNC(=O)OC(C)(C)C)ccn1	880611169	KYDVJCDAJSPHIH-UHFFFAOYSA-N	309.370	1.704	50	20	DDGD	
Cc1cccc(NNC(=O)Nc2cc(CN(C)C)ccn2)n1	880604404	VTIVXFFSWYBKNC-UHFFFAOYSA-N	300.366	1.995	50	20	DDGD	
O=S(=O)(CCCCl)NCCn1ccc(C(F)(F)F)n1	882513405	KRUXQJNZMRNUAT-UHFFFAOYSA-N	319.736	1.450	50	20	DDGD	
C=C[C@@H](CC(=O)NNC(=O)C1CCOCC1)c1ccccc1	883067185	YFGANHZQVXOVHO-ZDUSSCGKSA-N	302.374	1.920	50	20	DDGD	
O=C(NCCC(F)F)NNC(=O)c1cccc(OC(F)F)c1	1121863059	ZLVVNQCMPLBMJS-UHFFFAOYSA-N	323.246	1.887	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1cc(N2CCOCC2)ccn1	784463667	TWFUAVJWOJDFFL-UHFFFAOYSA-N	317.324	1.209	50	20	DDGD	
CN(NC(=O)C(=O)Nc1ccnn1CC1CC1)c1ccccc1	783434519	QAZBKAFLTACZIQ-UHFFFAOYSA-N	313.361	1.399	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H](CC(C)C)NC(C)=O	783602138	GGJJQVTYGGISOW-AWEZNQCLSA-N	321.377	1.467	50	20	DDGD	
CN(C(=O)C1CCC(Cl)CC1)[C@H]1CCN(S(C)(=O)=O)C1	1123888047	ZVDRELNZBMZEQY-MCIGGMRASA-N	322.858	1.276	50	20	DDGD	
CC(C)N1CCC(NC(=O)COC(=O)/C(C#N)=C\C2CC2)CC1	786678035	NPVJNHXLFCVRNC-ZROIWOOFSA-N	319.405	1.379	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccnc(C3CC3)n2)c1	780790899	BPAMTKJRAOTYQT-UHFFFAOYSA-N	312.329	1.898	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)c2cc(F)ccc2C)n1	781937321	RCDLYFWMFHOBEC-UHFFFAOYSA-N	302.309	1.867	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cnc(-c2ccco2)s1	782268364	LMECIRMTLWQUDK-UHFFFAOYSA-N	308.319	1.209	50	20	DDGD	
C[C@H](C(=O)NNc1ccccc1S(N)(=O)=O)c1ccccc1	788227397	DDNDUUJWSBKMAT-NSHDSACASA-N	319.386	1.581	50	20	DDGD	
NC(=O)C(=O)NN=Cc1ccc(-c2ccc(Cl)cc2)cc1	788950718	JUPZLVNMUQSDTR-UHFFFAOYSA-N	301.733	1.942	50	20	DDGD	
CCOC(=O)[C@H](Cc1ccccc1)NNC(=O)c1ccccn1	783573028	PGBZMPICRQZVSA-HNNXBMFYSA-N	313.357	1.490	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H]2CCc3nccn3C2)n1	788000638	IHQTZVKOPPCDKZ-VIFPVBQESA-N	306.757	1.341	50	20	DDGD	
N#Cc1ccc(NCC(=O)NNc2nc3ccccn3n2)cc1	791254404	ZPUIVKOYUVGRIT-UHFFFAOYSA-N	307.317	1.156	50	20	DDGD	
O=C(Cc1n[nH]c2c1CCCC2)NNc1nc2ccccn2n1	791262412	ULVVPLFNCDPCGF-UHFFFAOYSA-N	311.349	1.017	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=S)NC(C)(C)C)c1C	899996758	RBQVXDLMRKAIAK-UHFFFAOYSA-N	311.455	1.899	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(Cl)c(Cl)cc1F	799243227	VNBWXKFMBWJJMW-UHFFFAOYSA-N	310.112	1.932	50	20	DDGD	
C[C@@H](O)C[C@@H]1CCCCCN1CC(=O)NNC(=O)C(C)(C)C	796384971	PJWHXAMJBVCBHT-OLZOCXBDSA-N	313.442	1.195	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(-c2cccc(F)c2)no1	798305046	QTIJPIKHZALKEX-UHFFFAOYSA-N	320.349	1.776	50	20	DDGD	
CCOc1cc(/C=C(/C#N)S(N)(=O)=O)ccc1OC(F)F	798232414	UJUXECVAVJOUFG-UITAMQMPSA-N	318.301	1.840	50	20	DDGD	
Cc1c(CNC(=O)NNC(=O)C2CCC2)cccc1[N+](=O)[O-]	790557874	AASWTDRFTYOFBT-UHFFFAOYSA-N	306.322	1.534	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2ccc(Cl)nc2)n1	794752377	VSZVNMXUKRNVJT-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc(C(F)(F)F)cn2)n1	794076193	NKPUUNLYIYXVOZ-UHFFFAOYSA-N	324.262	1.879	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](c1cccnc1)C(C)C	798113913	GMKFQHBAUNJRFI-GFCCVEGCSA-N	301.350	1.763	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)c1cnc(C2CC2)[nH]1	1319592788	BYAWBXAXOZJCDQ-UHFFFAOYSA-N	323.356	1.703	50	20	DDGD	
Cc1conc1NC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	1320260497	WSJQHIGUPOALBC-VIFPVBQESA-N	322.296	1.742	50	20	DDGD	
CC(=NNC(=O)c1cccc(F)n1)C1CCS(=O)(=O)CC1	1327660997	VHAOMONEIUJUFZ-UHFFFAOYSA-N	313.354	1.151	50	20	DDGD	
Cc1nn(C)cc1CCC(=O)NNC(=O)c1ccccc1F	1322882387	DIDHLZVOFLKASR-UHFFFAOYSA-N	304.325	1.261	50	20	DDGD	
C[C@@H]1CSC[C@H]1NC(=O)NNc1nncc(N)c1Cl	1326581133	MAWJPCBJTADUSX-IYSWYEEDSA-N	302.791	1.090	50	20	DDGD	
CSSCCNC(=O)N(C)Cc1ccc(C(N)=O)cc1	1323362001	JOLRXEGRZTXSGL-UHFFFAOYSA-N	313.448	1.938	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)c1cnn2ccncc12	1322981951	TUVDXKJFQUBJRF-UHFFFAOYSA-N	321.300	1.135	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](C)n2ccnc2)c1C	1329381265	BOPDXKBGIDMBIL-NSHDSACASA-N	302.334	1.682	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@H]2CCC[C@@H]2OC)cc1	1336008808	CRCNDFKZSMREOY-KBPBESRZSA-N	306.362	1.660	50	20	DDGD	
NCCCCNC(=O)NNC(=O)c1c(Cl)cccc1Cl	1331466983	RCZJBEWNOHZMKW-UHFFFAOYSA-N	319.192	1.676	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@@H](C)[C@@H]2CCC(=O)N2)o1	1348135439	WPORTBHHBRARBT-IUCAKERBSA-N	305.338	1.027	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CC[C@@H](OC)C2)c1C	1347283201	MWJPOAPPXPXMGZ-VXGBXAGGSA-N	321.377	1.975	50	20	DDGD	
CC(=NNC(=O)C[n+]1ccccc1)c1cnnn1-c1ccccc1	1261127983	CXISXLCLDGLLMO-UHFFFAOYSA-O	321.364	1.095	50	20	DDGD	
Cn1ccnc1CCC(=O)NNC(=O)Cc1ccc(Cl)cc1	1348433743	ICGYQKBFWGKQHE-UHFFFAOYSA-N	320.780	1.396	50	20	DDGD	
CN(C)c1cnc(C(=O)OC[C@@]2(C)C[C@H]2Br)cn1	1348963102	YVKYNZXZLRRBRV-BXKDBHETSA-N	314.183	1.873	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1oc(C2CC2)nc1C(F)F	1346378615	XVHPSCUWYQNHNN-UHFFFAOYSA-N	302.281	1.842	50	20	DDGD	
O=C(Cc1cccc2nsnc12)NNC(=O)CC(F)(F)F	1520258893	UXUZZXRVHZFTFX-UHFFFAOYSA-N	318.280	1.334	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CCN2C2CCCC2)cc1F	1602385452	VZESETUNNYYRSA-AWEZNQCLSA-N	321.352	1.984	50	20	DDGD	
C[C@](O)(C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1)C1CC1	1603690005	FWXNLDZKEQDABL-CYBMUJFWSA-N	322.756	1.124	50	20	DDGD	
O=C(NNc1ncccn1)N[C@H]1C[C@H](C(=O)O)c2ccccc21	1605820973	PANBTXLUAWYWMG-RYUDHWBXSA-N	313.317	1.416	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H](C(=O)NNc2ccc(Cl)c(F)c2)O1	1608804421	ZVSJRYOBLSVTLL-ZJUUUORDSA-N	302.689	1.554	50	20	DDGD	
Cc1c(NNC(=O)/C=C/c2cncc(O)c2)cccc1C(=O)O	1600052260	GDLOVPCFUTXDJL-AATRIKPKSA-N	313.313	1.950	50	20	DDGD	
CC[C@H](C(=O)O)C(=O)NNc1ccc(C(=O)OC)c(Cl)c1	1609886523	NPPLPVFEJZGCHZ-QMMMGPOBSA-N	314.725	1.681	50	20	DDGD	
Cc1ccc(-c2nn[nH]n2)cc1C(=O)NNc1cccc(C#N)c1	1605792183	JFXLRDDOCNKYQG-UHFFFAOYSA-N	319.328	1.804	50	20	DDGD	
COCCN(CC(C)C)NC(=O)Nc1cccc(CC(=O)O)n1	1606885072	ZYMSRJJDANWNHI-UHFFFAOYSA-N	324.381	1.350	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(-c3nn[nH]n3)cs2)nc1	1605301201	PATHJIPGWYIHGG-UHFFFAOYSA-N	317.334	1.089	50	20	DDGD	
Cc1c(NNC(=O)NCCC(=O)OC(C)C)cccc1C(=O)O	1607553321	PZXAUDPTJRLFJN-UHFFFAOYSA-N	323.349	1.661	50	20	DDGD	
C#CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(Cl)Cl	1802350969	DRNYPQKZXSZODN-JGPRNRPPSA-N	317.216	1.842	50	20	DDGD	
CCn1cc([C@H]2OCC[C@@H]2C=NNC(=O)c2c[nH]nc2C)cn1	1552450088	SZKULFNIFLAPOI-RISCZKNCSA-N	316.365	1.428	50	20	DDGD	
BrC[C@H](CN1CC[C@@]2(CNCCO2)C1)C1CC1	1574449024	VYMSTRSLJZUPGP-CHWSQXEVSA-N	303.244	1.472	50	20	DDGD	
CC(C)(N)CNC(=O)[C@]1(c2ccccc2)C[C@H]1Br	1575354537	XSRFNIBIRHARAW-RISCZKNCSA-N	311.223	1.945	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1N	1579989366	BRIGPBRMGLOXBW-UHFFFAOYSA-N	308.729	1.122	50	20	DDGD	
C[C@@H](C[C@@H](C)N)NC(=O)NNc1cccc2c1OC(F)(F)O2	1576145170	MENPPUYWCUYUEI-SFYZADRCSA-N	316.308	1.760	50	20	DDGD	
CC(C)c1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)nc1	1574414214	RSOMFENFWXRAGK-UHFFFAOYSA-N	324.348	1.537	50	20	DDGD	
C[C@]1(C(=O)NNc2cc(C(F)(F)F)ccc2F)C[C@@H](O)CN1	1576350256	MYJNIFHYYNAGFR-PRHODGIISA-N	321.274	1.401	50	20	DDGD	
CC(=O)N[C@@H](CCC(C)C)C(=O)NNc1ncccc1C(=O)O	1588503173	PTGBPGVMJFVKKZ-LBPRGKRZSA-N	322.365	1.164	50	20	DDGD	
O=C(C[C@]1(O)CCNC1)NN=C(c1ccccc1)c1ccccc1	1580499435	BXDCEOKVPRYYHW-LJQANCHMSA-N	323.396	1.670	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)C(=O)C1CC1)C2	1845162641	GEEBJJNCDIFRQS-NSHDSACASA-N	312.797	1.186	50	20	DDGD	
O=C(C(Cl)Cl)N1CC2(CCCN2C(=O)[C@H]2CCOC2)C1	1846693440	RBDDKVZCKZRCMQ-VIFPVBQESA-N	321.204	1.030	50	20	DDGD	
NCCCCCC(=O)NNC(=O)c1ccc(F)c(F)c1F	1580292847	VKXBTMJVCBHOAT-UHFFFAOYSA-N	303.284	1.384	50	20	DDGD	
CC1(C)OC[C@@H]2C[C@@]21C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1590119905	VMCFBNWYDRPKKR-BONVTDFDSA-N	314.349	1.125	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)c1cccc(Cl)c1C(=O)O	1590939243	SKTUBGFRODLNSJ-UHFFFAOYSA-N	320.754	1.004	50	20	DDGD	
O=C(NCc1ccccc1C(=O)O)NNC(=O)C1CCCC1	1594772121	SQNKMQVGIAAMGC-UHFFFAOYSA-N	305.334	1.405	50	20	DDGD	
C[C@@]1(C(=O)NN=Cc2ccc(-c3nn[nH]n3)cc2F)CCCO1	1590068302	FXHPXIXTEHYDMR-AWEZNQCLSA-N	318.312	1.025	50	20	DDGD	
C[C@H]1CN(C(=O)[C@@]2(C)C[C@H]2Br)C[C@]1(C)C(=O)O	1599915071	ORLIKDLTSJHYPD-VVJJBPBLSA-N	304.184	1.729	50	20	DDGD	
COC(C)(C)[C@H](C)NC(=O)NNc1ccc(CC(=O)O)cc1	1599030827	DSWFYQFDZZKJGA-JTQLQIEISA-N	309.366	1.753	50	20	DDGD	
CCOc1cccc(CC(=O)NNc2ccccc2C(=O)O)n1	1597149372	GDYVATDZLXMQEU-UHFFFAOYSA-N	315.329	1.864	50	20	DDGD	
CO[C@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)C1CCC1	1591312080	SJTRUIZWQBHEPQ-LBPRGKRZSA-N	302.338	1.125	50	20	DDGD	
Cn1nccc1[C@@H](NC[C@@H](CBr)C1CC1)C(=O)O	1594596159	WLAXHPAXDQKUIZ-MWLCHTKSSA-N	316.199	1.557	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNc1cccc(F)c1C(=O)O	1596526082	OJIZLWPCOQAFID-MRVPVSSYSA-N	312.297	1.556	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](Cc1cccc(OC)c1)C(=O)O	1596864283	UTBFBBXJLNSBBE-WONIAPNHSA-N	318.329	1.251	50	20	DDGD	
Cc1cc(=NNC(=O)Nc2cc(-c3nn[nH]n3)ccc2C)cc[nH]1	1592053949	FUDNMWWUFDHLTD-UHFFFAOYSA-N	324.348	1.449	50	20	DDGD	
CC1(C)C[C@@H](NC(=O)NNc2ccc(F)c(C(=O)O)c2)CO1	1593858925	KEGIAZKHWQNQCS-SECBINFHSA-N	311.313	1.718	50	20	DDGD	
CSc1cc(/C(C#N)=C/c2cc(C(=O)O)nn2C)ncn1	1594189552	MVHXFXFZTUBKFU-FPYGCLRLSA-N	301.331	1.694	50	20	DDGD	
O=C(Cc1ccccn1)NN=Cc1ccc(C(=O)O)c(F)c1	1776043439	OUIPUUKAZVLXGR-UHFFFAOYSA-N	301.277	1.612	50	20	DDGD	
CC[C@@H](NC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Cl)C2	1796178080	DVTPPTBNGXKEJM-ROHXPCBUSA-N	319.808	1.157	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)Nc1ccccc1	5603966	HBXMWIPJEWBWOF-AWEZNQCLSA-N	313.313	1.679	50	20	DDGD	
CC(C)C[C@H](C)NC(=O)NNC(=O)Cc1cn2ccccc2n1	163101985	VKCNWKRMMTYKNK-LBPRGKRZSA-N	317.393	1.642	50	20	DDGD	
N[C@@H]1CCC[C@@H](C(=O)NNc2nc(-c3ccncc3)no2)C1	167219482	HREDGYXHFICJSH-GHMZBOCLSA-N	302.338	1.092	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1ccc(-n2cccc2)cc1	156293765	DMLUCLNHSJDHKN-UHFFFAOYSA-N	319.328	1.901	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)nc1	157384897	QWZLHCJRBNQWDQ-UHTWSYAYSA-N	306.366	1.530	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(N(C)C)cc2F)n1	159852417	INQDPRLLJHHGHA-UHFFFAOYSA-N	319.340	1.756	50	20	DDGD	
Cn1ncc(Br)c1C(=O)NNC(=O)OC(C)(C)C	294857173	VJMKRNRADZPSHE-UHFFFAOYSA-N	319.159	1.352	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1	103424235	ZGZQPHBMOWIABI-CABCVRRESA-N	313.332	1.714	50	20	DDGD	
O=C(CCSc1ccc(F)cc1)NNC(=O)Cc1cc[nH]n1	106417110	RJIPHLUPAKYITE-UHFFFAOYSA-N	322.365	1.421	50	20	DDGD	
Cc1cc(NNC(=O)CCc2nc(C3CCCC3)no2)ncn1	178013889	CATLYBXMPCIJJD-UHFFFAOYSA-N	316.365	1.902	50	20	DDGD	
CCN(CC)CC(=O)NNC(=O)Cn1ccc2ccccc21	104632803	XPGULUOYOUASSM-UHFFFAOYSA-N	302.378	1.131	50	20	DDGD	
CNC(=O)NNC(=O)COc1ccccc1Cc1ccccc1	53919035	KMADFNBPUGKODP-UHFFFAOYSA-N	313.357	1.616	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H](C)CN2CCC[C@@H](C)C2)n1	56787356	NWTCVEXGVWMMOE-VXGBXAGGSA-N	322.413	1.232	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNc2ccc(F)cc2F)c(=O)[nH]1	113431510	SHOLOMQFQCMBAK-UHFFFAOYSA-N	308.288	1.351	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NC[C@H]1C[C@@H]2CC[C@@H]1C2	170881611	WSORPAMOWBOVSY-MRVWCRGKSA-N	302.378	1.391	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cccc(-n2cccc2)c1	65207383	FPNGAZUKJRNHFP-UHFFFAOYSA-N	316.361	1.458	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCCCS(=O)(=O)c1ccccc1	66306207	SFUFWEQAFYANLZ-SEYXRHQNSA-N	322.386	1.411	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NNc1nccnc1Cl	172288342	PQCPZIWDEUCBOX-KWQFWETISA-N	320.736	1.802	50	20	DDGD	
CN(C[C@@H]1CCOC1)C(=O)NNC(=O)c1cc2ccccc2o1	176533295	DGYWCSSTISOXTG-NSHDSACASA-N	317.345	1.756	50	20	DDGD	
O=C(CCn1ccc2ccccc21)NNC(=O)Cc1ccncc1	176772465	MVLXUMHGXZULEJ-UHFFFAOYSA-N	322.368	1.817	50	20	DDGD	
CSCCNC(=S)NNC(=O)/C=C/c1ccccc1C	179545165	ZNIFJRAHJBFMSY-BQYQJAHWSA-N	309.460	1.867	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N(C)C)c(C)c1	124829495	XWPSXPCYAFDROE-JTQLQIEISA-N	320.393	1.193	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@@H]([C@@H](C)O)C1	127715590	NGIIFGUDFXCXRQ-CHWSQXEVSA-N	313.829	1.972	50	20	DDGD	
CC[C@H](C)[C@@H](C)C(=O)NNC(=O)CNc1ccccc1OC	182973216	ZGZZOZLDXNHHNX-NWDGAFQWSA-N	307.394	1.937	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCc2cccnc2)cc1	122868405	ONODRPHMRKUOFC-UHFFFAOYSA-N	312.373	1.831	50	20	DDGD	
CCC[C@@H]1C[C@@H](C(=O)NNC(=O)Cn2nc(C)cc2C)CCO1	183446926	MKUWKHFBRQNCIS-UONOGXRCSA-N	322.409	1.243	50	20	DDGD	
O=C(NNc1cnccn1)C(=O)N1CCc2c(Cl)cccc21	122326168	SLEDQRWXOJNNJP-UHFFFAOYSA-N	317.736	1.162	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NC2CCCCC2)cc1O	188218719	KZKMNCNHOPGXCT-UHFFFAOYSA-N	302.334	1.541	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNC(=O)c2ccccc2F)[nH]n1	78534869	ZKDKBTHPKCOAAR-UHFFFAOYSA-N	304.325	1.921	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1ccc(Cl)cn1	78193234	MSAHWRGNLGYOFN-UHFFFAOYSA-N	319.748	1.713	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2CCCc3occc32)n1	120860514	YXSIGOPZOAHPPW-SNVBAGLBSA-N	303.322	1.782	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)Cc1ccncc1)c1nccs1	184288528	CFNQPGNCPQOHCW-JTQLQIEISA-N	319.390	1.215	50	20	DDGD	
CCc1cccc(CC)c1NC(=O)C(=O)NNc1cnccn1	122299627	YIXTXOJZOYFNRD-UHFFFAOYSA-N	313.361	1.683	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(-c2nccs2)cc1	183049064	GZVUBSMLQRWCQK-UHFFFAOYSA-N	320.374	1.999	50	20	DDGD	
COc1ccnc(NNC(=O)NCC(C)(C)N2CCCCC2)n1	49786357	KHQCQLUWYMVTQJ-UHFFFAOYSA-N	322.413	1.376	50	20	DDGD	
CCC(CC)[C@@H](C(=O)NNc1ccncc1)N1CCOCC1	180540642	QQIZRGOWXYLWFU-HNNXBMFYSA-N	306.410	1.662	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cn1)[C@@]1(O)CCSC1	132315840	HVYFBCXAPNEUKM-SNVBAGLBSA-N	307.297	1.412	50	20	DDGD	
O=C(NNC(=O)c1cnn2ccncc12)c1cc2ccccc2o1	193451691	YHGAIGOPZGCOTL-UHFFFAOYSA-N	321.296	1.550	50	20	DDGD	
COCc1cccc(C(=O)NNC(=S)N[C@H](C)C2CC2)c1	83678569	LWEFUMQFQXLLDQ-SNVBAGLBSA-N	307.419	1.740	50	20	DDGD	
CCn1cc([N+](=O)[O-])c(C(=O)NNc2ccc([N+](=O)[O-])cc2)n1	191864888	LYGQFOIISGJNKZ-UHFFFAOYSA-N	320.265	1.476	50	20	DDGD	
O=C(NNC(=O)c1cccnc1N1CCCCC1)NC1CC1	143238952	KCVRRHAYZSUHHW-UHFFFAOYSA-N	303.366	1.178	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1cccnc1)[C@@H]1C[C@H]2CC[C@H]1C2	245822074	MJMZZLYGSJZJFQ-JURCDPSOSA-N	316.405	1.779	50	20	DDGD	
CCOC(=O)N1[C@H](C(=O)NNC(C)=O)CC[C@@H]1c1ccc(C)o1	265489589	AWYIYQKEYMNPRR-NEPJUHHUSA-N	323.349	1.417	50	20	DDGD	
Cc1ccc(F)c(OCC(=O)NNC(=O)NC2CCCC2)c1	268849284	PFUKCUFEFBEDAA-UHFFFAOYSA-N	309.341	1.786	50	20	DDGD	
COc1ccc(C(=O)CCCC(=O)NNC(=O)C2CCC2)cc1	264821277	XLJVBNDNTKBRGP-UHFFFAOYSA-N	318.373	1.996	50	20	DDGD	
C=CCOCCCC(=O)NNc1nc(-c2cccnc2)no1	266377703	SLJYCWBBAYPYSO-UHFFFAOYSA-N	303.322	1.558	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1cn2ccsc2n1	264235404	WKCOFGVPZWVZPU-UHFFFAOYSA-N	309.395	1.662	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)C2CCC2)c(F)cc1F	267791488	GLMVWCWDHVRYTG-UHFFFAOYSA-N	304.318	1.383	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1cccc([N+](=O)[O-])c1C	269626718	VNIWQULTCJVPIC-LLVKDONJSA-N	311.338	1.788	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)CC[C@@H]1CCOC1	267573419	OMTLYLJVUQDDSQ-GFCCVEGCSA-N	322.361	1.038	50	20	DDGD	
O=C(NN=c1nc(-c2ccccc2)[nH]o1)[C@H]1CCCCCN1	363777729	JNGHQCTXGXDHGU-GFCCVEGCSA-N	301.350	1.134	50	20	DDGD	
CC(C)(C)C(=O)Nc1ccccc1C(=O)NNC(=O)C(C)(C)O	276264993	NUUWMGCSOFJVBN-UHFFFAOYSA-N	321.377	1.203	50	20	DDGD	
CSc1nsc(NC(=O)NNC(=O)CC(C)(C)C)n1	273381482	CBWQBCWPFPCCES-UHFFFAOYSA-N	303.413	1.849	50	20	DDGD	
COC1(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)CCC1	272907231	KUPNKCFOZFQKHP-JTQLQIEISA-N	310.325	1.310	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(-c2cnn(C)c2)nn1	278761703	OPDVLNHVVLZBJV-SECBINFHSA-N	317.353	1.076	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)NO[C@H]1CCCCO1	275078059	DDQSYNFTDAPKSK-VIFPVBQESA-N	309.351	1.776	50	20	DDGD	
C[C@H](C#N)Oc1ccccc1NC(=O)NNC(=O)CC1CC1	273357310	CCVNNJOVRWCNJQ-SNVBAGLBSA-N	302.334	1.930	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)CSc1ccccc1O	270731455	UNTVAICIENNFSV-SNVBAGLBSA-N	312.391	1.447	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cccc2ncccc12)C(=O)OC	277294161	RDWUPNJALIRGOS-JTQLQIEISA-N	315.329	1.195	50	20	DDGD	
O=C(NNC(=O)c1cnc2n1CCCC2)c1ccc(Cl)nc1	371026995	YHZJXBLCGUVLCA-UHFFFAOYSA-N	319.752	1.343	50	20	DDGD	
O=S(=O)(CBr)N1CCC2(CCOCC2)CC1	375195094	ODCISUPFAUMQPJ-UHFFFAOYSA-N	312.229	1.561	50	20	DDGD	
CC[C@@H]1C[C@@H](CC(=O)NNC(=O)CNc2ccccc2)CCO1	272900882	PQZANWAIIFRVLJ-DZGCQCFKSA-N	319.405	1.841	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CCc3nnn(C)c3C2)cc1	289818373	AQWUKHXOWOJAEE-SNVBAGLBSA-N	301.350	1.072	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)n1	280996702	VNJJJVWOHYIARR-CYZMBNFOSA-N	318.377	1.148	50	20	DDGD	
Cc1cc(OCC(=O)NNC(=O)CC(C)(C)C)ccc1[N+](=O)[O-]	281525133	LDDPAIWIQFJICL-UHFFFAOYSA-N	323.349	1.866	50	20	DDGD	
COCCOC1CCC(C(=O)NNc2cc(C)nc(C)n2)CC1	280778875	SOFWNQXDUCYQTR-UHFFFAOYSA-N	322.409	1.758	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H]1O[C@@H](C)C[C@@H]1C	282586222	GLTIAJCNEHKLNB-OUJBWJOFSA-N	323.418	1.826	50	20	DDGD	
O=C(C[C@H]1COCCN1)NN=C(c1ccccc1)c1ccccc1	375931824	DHKQZSKFUURNFN-KRWDZBQOSA-N	323.396	1.934	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc2nccc(C)c2c1	285050936	JXBOULJUPGPSGG-UHFFFAOYSA-N	316.361	1.524	50	20	DDGD	
C[C@@H]1CC=CC[C@H]1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	285165631	ZJZLVQSVAADLFT-ZWNOBZJWSA-N	303.318	1.958	50	20	DDGD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)COCc1ccccc1	280110729	LHDPZSVQXHIBFA-OCCSQVGLSA-N	318.373	1.356	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNC(=O)Nc1ccccc1	283778985	QXBSVVZHXYPRDJ-UHFFFAOYSA-N	306.366	1.488	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)Nc1nc2ccccn2n1	287089396	KBAXXPAVAIISBH-UHFFFAOYSA-N	324.348	1.935	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@@H]2CCCSC2)n1	287863573	DGTKTLQHGQTAEK-NSHDSACASA-N	308.407	1.477	50	20	DDGD	
CSCC(C)(C)C(=O)NNC(=O)c1cccc(N(C)C)c1	282663149	VFKNCWBAXDZRFB-UHFFFAOYSA-N	309.435	1.903	50	20	DDGD	
CC(=NNC(=O)c1c(C)nc2ccccn12)c1cn(C)c(C)n1	800806493	YTOIESAGMWJQAJ-UHFFFAOYSA-N	310.361	1.839	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)CC(C)C)c(Cl)n1	800831316	SXRCJQUQEIHICN-UHFFFAOYSA-N	305.787	1.399	50	20	DDGD	
CN(C)Cc1cccc(NC(=O)NNC(=O)[C@H]2CCCCO2)c1	296209282	INIYVDQVCYYMEV-CQSZACIVSA-N	320.393	1.470	50	20	DDGD	
CSCc1cccnc1C(=O)NNC(=O)[C@@H]1CCCCO1	295693136	ZJOQOLAYQLNSGN-NSHDSACASA-N	309.391	1.275	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)CNC(=O)NNc1ncncc1F	292959991	HLIRSZSFSNFFIR-ZETCQYMHSA-N	308.317	1.650	50	20	DDGD	
CC(C)n1cnnc1SCC(=O)NNc1ncccc1F	804216827	KWVWTHZHZXHUKH-UHFFFAOYSA-N	310.358	1.629	50	20	DDGD	
Cc1cc(CNC(=O)NNc2cc(F)c(F)cc2F)n(C)n1	807223162	ZURUNSKKAUEYCF-UHFFFAOYSA-N	313.283	1.972	50	20	DDGD	
Cn1nc(C(=O)NNc2cccc(F)n2)c2ccccc2c1=O	804772478	JLGIQZBSLAOSHH-UHFFFAOYSA-N	313.292	1.225	50	20	DDGD	
CCc1oc(C=NNC(=O)Cc2cc(C)[nH]n2)cc1C(=O)OC	800810492	RYFWCZCLDDFMGU-UHFFFAOYSA-N	318.333	1.353	50	20	DDGD	
COCc1ncsc1C(=O)NNC(=O)c1ccccc1O	806345362	VHYIXZMWVQQZNF-UHFFFAOYSA-N	307.331	1.070	50	20	DDGD	
CCS(=O)(=O)c1ccccc1C(=O)NNc1ncccc1F	804216497	GQJWBFBDDSYSQL-UHFFFAOYSA-N	323.349	1.771	50	20	DDGD	
O=C(COc1cccc([N+](=O)[O-])c1)NNc1ncccc1F	804216461	FWZYJZAMABPZJP-UHFFFAOYSA-N	306.253	1.651	50	20	DDGD	
COc1ccc(CC(=O)NNc2ncccc2F)cc1OC	804215500	SXQXVTCVPTUASM-UHFFFAOYSA-N	305.309	1.924	50	20	DDGD	
Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NNc1ncc(F)cn1	801933461	SNBZVTWDTGWXHH-UHFFFAOYSA-N	310.220	1.002	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1ccc2oc(O)nc2c1	805171715	QSYUQFLUIYXSHK-UHFFFAOYSA-N	316.273	1.271	50	20	DDGD	
C#CCOc1ccccc1NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	296929527	QBWGCFNUTCMIBN-FZMZJTMJSA-N	317.345	1.419	50	20	DDGD	
CCc1nnc(CNC(=O)NNc2ccc(Cl)nn2)s1	290915878	JGDNXSSHNXJNDH-UHFFFAOYSA-N	313.774	1.370	50	20	DDGD	
CC(C)O[C@@H]1C[C@H](NC(=O)NNc2ncncc2F)C1(C)C	293209057	ZXOCCZMRAVVMNY-WDEREUQCSA-N	311.361	1.834	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)C(=O)c1ccc(O)cc1	803433588	VWYYKNBHQKTEJE-UHFFFAOYSA-N	323.308	1.560	50	20	DDGD	
CCOc1ccc(/C=C/C(=O)NNC(=O)N2CCOCC2)cc1	299394840	STGBUTGMYXWCJS-VMPITWQZSA-N	319.361	1.172	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)C1CCN(CC(F)F)CC1	807173403	DOVHIEIRNGHAGT-UHFFFAOYSA-N	323.347	1.983	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)[C@H]2CCCCO2)c(Cl)n1	295814868	XEXWMSVGNGZCJU-SNVBAGLBSA-N	311.769	1.682	50	20	DDGD	
CC(C)Oc1ncccc1C(=O)NNc1ncccc1[N+](=O)[O-]	807061723	ZKNTYKDQJDQNHJ-UHFFFAOYSA-N	317.305	1.929	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2cn(C(C)C)nn2)cc1	807947595	BHHOJGBOUVIJKI-UHFFFAOYSA-N	317.349	1.397	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1cnc2[nH]c(O)nc2c1	809730966	MDRRIHJMXOUHKL-UHFFFAOYSA-N	301.281	1.868	50	20	DDGD	
COCCCNC(=O)NN=C1CCN(Cc2ccccc2)[C@@H]1C	811639564	CLUYOMLWQOLNTA-CQSZACIVSA-N	318.421	1.973	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1Cc2[nH]c3ccccc3c2C1	814864410	CVWVMNRVBHBILU-LLVKDONJSA-N	315.373	1.790	50	20	DDGD	
CN(NC(=O)c1ncoc1-c1ccc2c(c1)OCCO2)C1CC1	819648961	ZDODAJBMNASHJS-UHFFFAOYSA-N	315.329	1.852	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@@H](O)c1ccc(Cl)cc1F	813500102	KIMMHRGEGVJIST-JTQLQIEISA-N	314.679	1.585	50	20	DDGD	
CN(NC(=O)CCCOc1ccc2c(c1)CCC(=O)N2)C1CC1	819645668	QMNYTNUKRCPXTO-UHFFFAOYSA-N	317.389	1.856	50	20	DDGD	
CCOc1ccc(NNC(=O)c2ccc(-n3cncn3)nc2)cc1	817904797	QUFOHTYSYNWRQH-UHFFFAOYSA-N	324.344	1.818	50	20	DDGD	
O=Cc1c[nH]c(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c1	814735495	AFQQOZCDPIDVIN-UHFFFAOYSA-N	310.313	1.312	50	20	DDGD	
CCCC(=NNC(=O)C(=O)NC1CC1)c1ccc(OC)cc1	814778286	XYPINFPPPVGFBA-UHFFFAOYSA-N	303.362	1.594	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)c1c(C)nc2ccccn12	812453468	YQMBGANUUTYTSZ-MNOVXSKESA-N	318.377	1.322	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2cccc(C#N)n2)c1	810549020	FODVCERWHSDHDG-UHFFFAOYSA-N	311.370	1.893	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CC[C@@H](Cc2ccccc2)C1	814900686	DEOHXADGKQWAFV-ZDUSSCGKSA-N	303.362	1.857	50	20	DDGD	
Cc1ncc2n1C[C@H](C(=O)NNC(=O)c1ccccc1F)CC2	816814230	LZFADQGZPGPMDX-LLVKDONJSA-N	316.336	1.354	50	20	DDGD	
Nc1ccc(C(=O)NN=Cc2nccn2CC(F)(F)F)cc1	727683326	GHQXTYKZILLYLS-UHFFFAOYSA-N	311.267	1.792	50	20	DDGD	
CCOc1cc(C=NNC(=O)Cc2cc[nH]n2)cc(Cl)c1O	814954144	YSWPSWOGYPVXIZ-UHFFFAOYSA-N	322.752	1.860	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2cccc(C(F)(F)F)c2)c[nH]1	728716493	PILXONMTWUGYGP-UHFFFAOYSA-N	312.251	1.889	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1cc(Cl)nc(C)n1)C(C)(C)C	826091795	UCSWMLMDVURXMS-LLVKDONJSA-N	313.789	1.432	50	20	DDGD	
CC(=NNC(=O)CCNC(=O)OC(C)(C)C)c1cn(C)nc1C	495275038	FFFCSOUCQBQROQ-UHFFFAOYSA-N	323.397	1.484	50	20	DDGD	
O=C(C[C@H]1CCCCO1)NNc1cccc(-c2nn[nH]n2)c1	826404258	UMRJNVTXHTXDKT-GFCCVEGCSA-N	302.338	1.269	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F	823912354	CYNLZERSRBOVKT-PFEFSLHISA-N	308.344	1.945	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)c1ccc(OC)c(OC)c1	491767713	GWSLDYADQKTSEV-UHFFFAOYSA-N	312.329	1.297	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccc(-c2nn[nH]n2)cc1F	821691557	YRGKOXZFQNICMJ-WDZFZDKYSA-N	317.280	1.102	50	20	DDGD	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)NC2CC2)cc1	490725703	JLUMVMRSVSUKHV-LCYFTJDESA-N	314.341	1.814	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNc1cccc(OC)n1	497125140	FHOWRNHKTYJVOS-CABZTGNLSA-N	310.354	1.304	50	20	DDGD	
CC[C@H](C)[C@@H](C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	825052189	VQRQNDDVYKYGAH-VHSXEESVSA-N	316.365	1.310	50	20	DDGD	
CC1(C)CC(C(=O)NNC(=O)Cc2cc[nH]n2)CC(C)(C)C1	826667878	SVKWDUZHPVEPBZ-UHFFFAOYSA-N	306.410	1.952	50	20	DDGD	
CN(NS(=O)(=O)CC1CC(F)(F)C1)C(=O)OC(C)(C)C	496730841	PBWQXRHCWXHUQL-UHFFFAOYSA-N	314.354	1.733	50	20	DDGD	
COC(=O)CN(C(=O)/C(C#N)=C\c1cnn(C)c1)C1CCCC1	490976965	RZCINDDHYZZTTR-QPEQYQDCSA-N	316.361	1.271	50	20	DDGD	
CCN(CCO)NC(=O)CCCCOc1cccc(C#N)c1	823859875	CGRVSBVSYGGKAR-UHFFFAOYSA-N	305.378	1.453	50	20	DDGD	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cnn(CCCl)c1	728697561	RYDVURUNDAQXBT-JYRVWZFOSA-N	316.748	1.583	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)N[C@@H]2CCC[C@H]2C)c1	729507879	KPYOEKYQJWELMG-QMTHXVAHSA-N	321.377	1.836	50	20	DDGD	
OB(O)c1cccc(CN[C@H](c2ccccc2)[C@H]2CCCO2)c1	585019094	BINCVLRFZYMTDX-QZTJIDSGSA-N	311.190	1.376	50	20	DDGD	
C/C=C/C=C\C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	493624157	HEXAXDNLZHFAOF-DEQVHDEQSA-N	309.391	1.512	50	20	DDGD	
COC(=O)CCCC(=O)NNc1cccc(F)c1C(=O)OC	822728444	SOCTZVSYIZMXLL-UHFFFAOYSA-N	312.297	1.399	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc2c(c1)CCC(=O)N2C	494474488	XNPBRJWIFVEDJX-UHFFFAOYSA-N	306.322	1.378	50	20	DDGD	
N#CCCN1CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CC1	827485564	VRVCEYNTGMQBKW-QINSGFPZSA-N	312.348	1.791	50	20	DDGD	
O=C1CC[C@@H]2[C@H]1[C@@H]2C(=O)NNC(=S)NCCc1cccs1	905600956	VRGQEGURCXTLQG-YUSALJHKSA-N	323.443	1.011	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCCOCCF)c(F)c1	824322263	YZONZJSNYAMGQA-UHFFFAOYSA-N	317.292	1.225	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)OC(C)(C)C)c2ccccc2c1=O	496563084	OKRNUCOWVBODEI-UHFFFAOYSA-N	317.345	1.708	50	20	DDGD	
Cc1nc(-c2ccccc2)ncc1C(=O)NN(C)[C@@H](C)CO	823947018	RNBNJWDLIXJGDM-NSHDSACASA-N	300.362	1.409	50	20	DDGD	
Cn1ncc(C2CC2)c1CNC(=O)NNc1cncc(Cl)n1	822400630	OMYLCIDKJJIWTC-UHFFFAOYSA-N	321.772	1.567	50	20	DDGD	
C[C@H](C#N)C(=O)NNC(=O)c1ccc(COc2ccccc2)o1	735841131	SONLDXICZZXEGA-LLVKDONJSA-N	313.313	1.779	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCCc2sccc2C1	827298612	JOVGWJZYQRLVSX-JQWIXIFHSA-N	323.418	1.662	50	20	DDGD	
O=C(N[C@H]1CCCc2sccc21)c1cc(B(O)O)ccc1F	584976157	RIERYBKDYDIVKF-ZDUSSCGKSA-N	319.166	1.374	50	20	DDGD	
CCCN1CCC[C@@H](C(=O)NNC(=O)c2ccc(Cl)nc2)C1	906239909	WXACJESZOFDXMK-GFCCVEGCSA-N	324.812	1.618	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)C1CCC1)NC(=O)c1ccccc1	732144097	NXYKCWXVYSPBDB-LLVKDONJSA-N	303.362	1.143	50	20	DDGD	
CCOCC(=O)NN=C1CCN(C(=O)OC(C)(C)C)C1(C)C	834956084	JZHPKSHTSDDYGQ-UHFFFAOYSA-N	313.398	1.915	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CCCCO2)cc2c1OCO2	834988815	NMOCRUDDRHQYRU-LLVKDONJSA-N	306.318	1.443	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCC[S@@](C)=O)c1C	735050773	BVCSZRUPVMZPGP-KBIMCKIRSA-N	321.446	1.917	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)C(=O)NNC(=O)Nc1ccccc1	837606303	YMZSCPQKDPHZQQ-LLVKDONJSA-N	301.350	1.452	50	20	DDGD	
OB(O)c1ccc(-c2noc([C@H]3CCC[C@H]3C(F)F)n2)cc1	585053092	BBFXKGUUAHWRNH-MNOVXSKESA-N	308.093	1.565	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H](C)C[C@H](C)N)cc1F	831224084	WEWIMFPELNRCEA-IUCAKERBSA-N	312.345	1.364	50	20	DDGD	
O=C(C[C@@H]1CCc2ccccc2C1)Nc1cccc(B(O)O)c1	584910501	CBNHUMKSKQSUNQ-CYBMUJFWSA-N	309.174	1.500	50	20	DDGD	
CCn1cc(C=NNC(=O)COc2cc(C)ccc2C)nn1	901130793	WADWBUDCEOAZIP-UHFFFAOYSA-N	301.350	1.444	50	20	DDGD	
Cc1ccc2c(c1)[C@H](NCc1ccc(B(O)O)cc1F)[C@H](C)C2	585034852	UPFQRXUQZWVRNV-KZULUSFZSA-N	313.181	1.837	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)c(C)c1	905096151	SBGDXGHNJVJPRD-LERXQTSPSA-N	317.414	1.846	50	20	DDGD	
O=C(CN1CC[C@H](C2CCC2)C1)NNC(=O)c1cccs1	839675910	IHTFNIVEDXHHFZ-LBPRGKRZSA-N	307.419	1.631	50	20	DDGD	
OB(O)c1ccc(CNC2CC(c3ccc(F)c(Cl)c3)C2)o1	585039430	REPUXVFEBFKRGD-UHFFFAOYSA-N	323.560	1.788	50	20	DDGD	
C[C@@H](NCc1ccc(B(O)O)cc1F)c1nc2c(s1)CCC2	585046917	XEZVFPYAASUMRR-SECBINFHSA-N	320.198	1.302	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@](C)(O)C2CCC2)c(F)c1	837207736	ZRNAWZHNUOHPMB-OAHLLOKOSA-N	310.325	1.607	50	20	DDGD	
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NNC(=O)c2cnn(C)c2)o1	735444103	BLBFLYDIBBBAOJ-MFKMUULPSA-N	316.361	1.530	50	20	DDGD	
CC(CCCc1cccnc1)=NNC(=O)CN1CCCC1=O	834934385	VIZGYZOGTGMIRF-UHFFFAOYSA-N	302.378	1.519	50	20	DDGD	
O=C(CN1CSCCSC1)NNc1ccnc(Cl)c1	912393842	AOQORCGINDURIJ-UHFFFAOYSA-N	318.855	1.875	50	20	DDGD	
CC(C)c1nn(C)cc1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	831769849	ZVKKSUBPIZVHKG-ZJUUUORDSA-N	309.370	1.121	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NCC2(SC)CC2)cc1	836429289	PRFIPCVZKWDJSG-UHFFFAOYSA-N	324.406	1.927	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccccc1C(=O)c1cccs1	910178402	BOXDAZSXAZLRBC-NSHDSACASA-N	318.398	1.937	50	20	DDGD	
CCC(=NNC(=O)[C@H](C)CN1CCOCC1)c1cccs1	916361525	BZZDVJHKROADTK-GFCCVEGCSA-N	309.435	1.947	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1c[nH]c2ncccc12	749848729	YZVMIFFJGXKQNE-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
O=C(NN[C@@H](C(=O)NC1CC1)c1ccccc1)[C@@H]1CCCCO1	842150295	CNMGYMWCEMCBMU-LSDHHAIUSA-N	317.389	1.196	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)COc1ccccc1Br	910155546	MGWFTNOSZPYHJA-SECBINFHSA-N	317.183	1.172	50	20	DDGD	
Cc1nn(C(C)C)cc1C(=O)NNC(=O)c1ccccc1F	846767792	NDNIXLLLQPFEQG-UHFFFAOYSA-N	304.325	1.986	50	20	DDGD	
Cc1nonc1CC(=O)NNc1ccc(OC(F)(F)F)cc1	845856334	GJZPGBPOXXQUCP-UHFFFAOYSA-N	316.239	1.962	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)[C@]1(Cl)C[C@H]2CC[C@H]1O2	913508358	YGNBXUKEPZNPFY-UGQGEIBHSA-N	306.753	1.935	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(N(C)C)c2)CS1	840414737	BVFBOPIAXCUNTG-JQWIXIFHSA-N	322.434	1.591	50	20	DDGD	
CC[C@H](C#N)C(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	846019811	XVBJIDJGDVKDLX-VHSXEESVSA-N	309.753	1.804	50	20	DDGD	
CSC[C@@H](C)NC(=O)NNc1ncc(Br)cn1	847320750	GWGYONFMOGDKIZ-ZCFIWIBFSA-N	320.216	1.617	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=Cc1ccccc1O	916370676	DQDHBKCCVCGTLD-BFHYXJOUSA-N	319.405	1.588	50	20	DDGD	
N#Cc1cccc(NNC(=O)CN2C(=O)COc3ccccc32)c1	748044764	ZADSCRXKXCPLJD-UHFFFAOYSA-N	322.324	1.427	50	20	DDGD	
CC(C[C@@H]1CCCC(=O)N1)=NNC(=O)c1cccc([N+](=O)[O-])c1	841604060	LOWBDYYTVWMVHE-LBPRGKRZSA-N	318.333	1.759	50	20	DDGD	
C[C@H]1CN(CC(=O)NNC(=O)C2CC2)CC[C@H]1c1ccccc1	741807961	NNMLOKNCXBEUIS-XJKSGUPXSA-N	315.417	1.669	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@@H](C)CCOC)cc1	840401242	BXCQLCBAMOMPLV-LBPRGKRZSA-N	307.394	1.866	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)c1ncn(C(C)(C)C)n1	846639659	LVXKGNSLBGYNFE-UHFFFAOYSA-N	307.329	1.938	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CSCc2ccccc21	915952761	KUGNOQOAMXAZOC-UHFFFAOYSA-N	303.387	1.376	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)c(OC)c1OC	842554853	MMRPVHFFLVXKSY-ZYHUDNBSSA-N	322.361	1.588	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)[C@H]1CC12CCCC2	747346172	WVGHFPGVKYVTRL-GFCCVEGCSA-N	312.373	1.764	50	20	DDGD	
C[C@H]1CN(C[C@@H](C)C(=O)NN=Cc2ccc(O)cc2)C[C@@H](C)O1	916372215	PBXQHVGDYYSHSS-MCIONIFRSA-N	319.405	1.588	50	20	DDGD	
CC1(C)CCCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C1	744399646	VDNDCNRSNCAIRH-UHFFFAOYSA-N	314.389	1.441	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)NC[C@@H](C)CN)cc1	841963636	URTOQOHCEXSYOM-NSHDSACASA-N	310.423	1.012	50	20	DDGD	
CCC(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	843653668	OBHKRUMHUSZPEZ-MFKMUULPSA-N	304.346	1.465	50	20	DDGD	
CCOc1ccc(C(C)=NNC(=O)C(=O)N2CCCC2)cc1	748137470	IJJKRWFWRBHEEV-UHFFFAOYSA-N	303.362	1.548	50	20	DDGD	
O=C(N1CCCNCC1)[C@@]12CC[C@@H](C[C@@H]1Br)C2	846662035	JFULRKGDWKNTLF-GMXVVIOVSA-N	301.228	1.762	50	20	DDGD	
CC1(C)C(C(=O)OCC(=O)NNC(=O)c2cccs2)C1(C)C	746082902	UBNZCGTZRRKLLX-UHFFFAOYSA-N	324.402	1.735	50	20	DDGD	
CC[C@](O)(CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccccc1	843964267	CFOXGJOTUWEHPB-IFIJOSMWSA-N	320.389	1.247	50	20	DDGD	
COC(=O)c1cccc(NC(=O)NNC(=O)CC(C)(C)C)n1	844790406	XXTYDYUBZLQPIY-UHFFFAOYSA-N	308.338	1.457	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CC2(C)CC2)cc1C	757793287	OHFNCKRPGKUPAF-UHFFFAOYSA-N	303.362	1.580	50	20	DDGD	
COC(=O)N1CCC(NC(=O)NNc2cc(F)ccc2C)CC1	853480770	OZBGGPSFFTTYIZ-UHFFFAOYSA-N	324.356	1.991	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC(C(=O)O)CC2)C[C@@H]1Br	857101513	ZKKMHYULZTZSOA-JOYOIKCWSA-N	319.199	1.666	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CCc3c[nH]nc3C2)C[C@H]1Br	857397553	KRWLLLFDVJYVFF-XTWCZFFVSA-N	312.211	1.804	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2ccc(C)c(F)c2)nn1C	850704737	PPXQBZTTXGKICR-UHFFFAOYSA-N	319.340	1.512	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)c1cnn(C2CC2)c1	858130099	XXJLHYFJSDOKML-UHFFFAOYSA-N	318.308	1.197	50	20	DDGD	
O=C(NCCN1CCCOCC1)NNc1ccc(Cl)cn1	852356235	YPEZKFYMAPUFKV-UHFFFAOYSA-N	313.789	1.083	50	20	DDGD	
COc1ccc(SCCCC(=O)NNc2cnnn2C)cc1	857274083	ZAIGPNHNJCVKFP-UHFFFAOYSA-N	321.406	1.839	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCc1nnn(C(C)(C)C)n1	854224505	NFGMVLAQZOVNBF-UHFFFAOYSA-N	321.360	1.702	50	20	DDGD	
COc1cccc([C@H](OC)C(=O)NNC(=O)[C@H]2CCCCO2)c1	854682828	HASQOCFHMJVDJM-KGLIPLIRSA-N	322.361	1.099	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@H]2CCCOC2)C[C@@H]1Br	856826191	TXXCVCXRTVCAEM-JFGNBEQYSA-N	305.216	1.886	50	20	DDGD	
O=C(NN=Cc1ccc(O)c(F)c1)[C@@H]1COc2ccccc2O1	755483748	IOWGSRJNLIWNBW-HNNXBMFYSA-N	316.288	1.821	50	20	DDGD	
COc1ccccc1C(=O)NN[C@@H](Cc1ccccc1)C(N)=O	758148170	PAAWGEQTEMPJQK-AWEZNQCLSA-N	313.357	1.026	50	20	DDGD	
CN(C[C@@H](CBr)C1CC1)C1(CO)CCOCC1	859277230	UVBXORSWLDWZPR-GFCCVEGCSA-N	306.244	1.881	50	20	DDGD	
C[C@](O)(CC(=O)NNC(=S)NCC1CCC1)c1ccccc1	855089212	HPXJBFMRXAMPEG-INIZCTEOSA-N	321.446	1.580	50	20	DDGD	
Cc1cc(NNC(=O)Cc2ccn(-c3ccccc3)n2)ncn1	757380772	AMMKJNRBBQNOER-UHFFFAOYSA-N	308.345	1.657	50	20	DDGD	
C[C@]1(CNS(=O)(=O)C[C@H]2CCCO2)C[C@@H]1Br	856756160	KSXANUZJLZMOLO-KXUCPTDWSA-N	312.229	1.258	50	20	DDGD	
CC(C)c1nocc1C(=O)NNC(=O)COc1ccccc1F	858129662	NWBXPMVCRXZJLF-UHFFFAOYSA-N	321.308	1.777	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1cn(C)nc1C	755504836	LSMBKCNOUTUPFW-UHFFFAOYSA-N	302.334	1.266	50	20	DDGD	
O=C(NN=Cc1cn(-c2ccccc2)nn1)c1ccc(O)cc1	755467514	IAXXGBVNWUOCGV-UHFFFAOYSA-N	307.313	1.737	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H](COC)OC)cc1C	854575395	VPRUYDQOSJAASH-CYBMUJFWSA-N	310.350	1.276	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1ccc2c(c1)OCCCO2	920829632	JCNXIDLZVHQFLB-UHFFFAOYSA-N	321.377	1.908	50	20	DDGD	
Cc1cc(CS(=O)(=O)NC[C@@]2(C)C[C@@H]2Br)on1	856755558	WAVTYEXKDYXGSK-VHSXEESVSA-N	323.212	1.576	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1C[C@H](C)C(F)(F)[C@H](C)C1	859414047	UTZFPYIRWLBCRS-GRYCIOLGSA-N	319.396	1.792	50	20	DDGD	
CC(=NNC(=O)Cc1ccccn1)c1cc(C(=O)O)ccc1O	757461786	RGKDAPFEHGZRJP-UHFFFAOYSA-N	313.313	1.568	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cccc3c2ccn3C)n[nH]1	756314996	BCMRFJSRSIZQCV-UHFFFAOYSA-N	312.333	1.676	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@H]1CC12CCSCC2	855093570	VMAFWZSHHAUKJP-LLVKDONJSA-N	313.492	1.815	50	20	DDGD	
CCOc1cccc(CCC(=O)NNC(=O)NCC2CC2)c1	858782588	YDRJJDLJHBCMBA-UHFFFAOYSA-N	305.378	1.758	50	20	DDGD	
CN1CCC(CNC(=O)NC[C@@]2(C)C[C@H]2Br)CC1	856858209	SBSQOUPQPMDFRG-DGCLKSJQSA-N	318.259	1.801	50	20	DDGD	
CC(=O)CSCC(=O)NNc1ccc([N+](=O)[O-])cc1F	855627242	YMFQACUYOPKHFC-UHFFFAOYSA-N	301.299	1.499	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)C2CCCC2)C[C@@H]1Br	856850899	DVULNZSDULGRPO-JOYOIKCWSA-N	318.215	1.681	50	20	DDGD	
CCn1nccc1C=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1	753694388	DWLZFVBYCMTISU-RDBSUJKOSA-N	321.425	1.098	50	20	DDGD	
C[C@H](NC(=O)NC[C@]1(C)C[C@@H]1Br)[C@@H]1CCCNC1	857103821	FOEBPFBTBDYLGA-NOHGZBONSA-N	318.259	1.847	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)C(=O)NNC(=O)c1cccc(Cl)n1	857324755	MHWOMUFOVROILS-SECBINFHSA-N	321.768	1.108	50	20	DDGD	
C[C@@]1(CNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)C[C@H]1Br	856718099	KFHMYHVEUZGXPU-COMAGPEQSA-N	316.195	1.943	50	20	DDGD	
CCOC(=O)c1ccc(S(=O)(=O)N2CC=C(C#N)CC2)o1	759082657	VWZZYWUBASSFKP-UHFFFAOYSA-N	310.331	1.301	50	20	DDGD	
CNC[C@@H](C)NC(=O)NNc1cccc(Br)n1	851680739	KTOUHLAROFBLNA-SSDOTTSWSA-N	302.176	1.078	50	20	DDGD	
CCO[C@@H]1C[C@H](NS(=O)(=O)CC(C)(C)CCl)[C@@H]1OC	867106321	AYCOGRRJAWYNAO-AXFHLTTASA-N	313.847	1.363	50	20	DDGD	
CC(C)N1CCC[C@@H]1C(=O)NNC(=O)CCOc1ccccc1	931164396	OEEHTJRHLVBYKZ-OAHLLOKOSA-N	319.405	1.476	50	20	DDGD	
COc1nccnc1NNC(=O)COCCOc1ccccc1	764471034	NSELAUWDZVXRMI-UHFFFAOYSA-N	318.333	1.024	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)NNc1ccc(F)c(Cl)c1	863079113	SQPVQWVCWCCYRP-UHFFFAOYSA-N	322.789	1.993	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCCOc2ccccc21	761692698	OAUIIUOLMOFUAF-CYBMUJFWSA-N	319.405	1.858	50	20	DDGD	
Cc1ccccc1OCCCC(=O)NNC(=O)c1cn[nH]c1	862473061	CIIJUWZXLBNSRX-UHFFFAOYSA-N	302.334	1.338	50	20	DDGD	
C[C@@H]1Oc2c(cccc2C(=O)NN[C@@H](C)C(F)(F)F)NC1=O	862312123	FJWXQNPCNFBDCN-BQBZGAKWSA-N	317.267	1.591	50	20	DDGD	
CCCOc1ccc(C(C)=NNC(=O)[C@H]2CCC(=O)N2)cc1	863144984	CVTUKQNLGVKICI-CQSZACIVSA-N	303.362	1.594	50	20	DDGD	
C[C@H]1CC(C)(C)CC1=NNC(=O)CNC(=O)c1cccnc1	766025373	MDXZSZNIZOWMEX-NSHDSACASA-N	302.378	1.740	50	20	DDGD	
O=C(NNc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1	863078803	NBSOSCTWZVQXHO-ZETCQYMHSA-N	306.746	1.357	50	20	DDGD	
O=C(CCc1ccc(O)cc1)NNC(=O)c1ccccc1F	760801717	ZNGYUXOHNBEWCI-UHFFFAOYSA-N	302.305	1.925	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)n1	862524898	XDEAXUFWVXDQAZ-LBPRGKRZSA-N	304.394	1.870	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1cccc(Cl)c1C#N	768494399	MUFZLGVCHHUXNH-UHFFFAOYSA-N	316.770	1.066	50	20	DDGD	
C[S@](=O)Cc1ccccc1NC(=O)NNC(=O)C1CCC1	762891645	ZOTXWGKEJMKIID-NRFANRHFSA-N	309.391	1.518	50	20	DDGD	
O=C(CCl)NC[C@H](O)COc1ccc(C(F)(F)F)cc1	1116439267	RDCWCYQFVDMEFN-VIFPVBQESA-N	311.687	1.800	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=CC[C@@H]2CCOC2)cc1C	765570752	WTJJFIRQNMKVPN-CYBMUJFWSA-N	303.362	1.771	50	20	DDGD	
Cc1cccc(NNC(=O)CNS(=O)(=O)c2ccccc2)c1	1117671096	WYESRQFCHJVVQC-UHFFFAOYSA-N	319.386	1.417	50	20	DDGD	
O=C(NNc1cccnn1)c1cnc(OCc2ccccc2)cn1	760505908	TVHHPZQEHAFNMQ-UHFFFAOYSA-N	322.328	1.603	50	20	DDGD	
COc1cc(C(=O)NN=C2C[C@@H](C)N(C)C2)cc(OC)c1OC	761793059	JNLBNXUQFVZPTN-SNVBAGLBSA-N	321.377	1.522	50	20	DDGD	
O=C(CCNCC1CC1)NNc1nc(-c2ccccc2)no1	870922375	CKXPDIJOULKIJN-UHFFFAOYSA-N	301.350	1.569	50	20	DDGD	
Cc1ccnc(NNC(=O)c2ccc(CN3CCOCC3)o2)c1	879122268	KKEGXHXQABAFIQ-UHFFFAOYSA-N	316.361	1.572	50	20	DDGD	
CC(=O)NCCCCCC(=O)NNC(=S)Nc1ccccn1	1119115771	KGGPJESYQVAGSK-UHFFFAOYSA-N	323.422	1.096	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCCOC[C@H]1C	773006019	WGVXMNBJBKTZRP-LLVKDONJSA-N	307.350	1.160	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H]1CCCN(CC(C)C)C1	875404223	WZHRQVCLCZVUNC-LBPRGKRZSA-N	300.403	1.267	50	20	DDGD	
COC(=O)N1CCC(NC(=O)NNc2cccc(C)n2)CC1	875147256	FWSFQCICGGOEDM-UHFFFAOYSA-N	307.354	1.247	50	20	DDGD	
Cc1nc(NC(=O)NNC(=O)C(C)C)ccc1Br	775777397	OHYHSUJVLXWVDO-UHFFFAOYSA-N	315.171	1.961	50	20	DDGD	
CC/C(C)=C(/C)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	779760545	UNWAODFQRZDCSS-KHPPLWFESA-N	304.346	1.965	50	20	DDGD	
O=C(NNc1c(F)cccc1Cl)c1cccn2c(O)nnc12	771673238	ZRMBBBCJRIKQNY-UHFFFAOYSA-N	321.699	1.984	50	20	DDGD	
Cn1nc(C(=O)NNc2nncc(N)c2Cl)cc1C1CC1	1116299743	JHQJMQBWOPTMCZ-UHFFFAOYSA-N	307.745	1.080	50	20	DDGD	
C=CC(C)(C)CC(=O)NNC(=O)CNc1ccccc1OC	878039203	NAGWPVYERGREDD-UHFFFAOYSA-N	305.378	1.857	50	20	DDGD	
Cn1ccc(NNC(=O)C2CC(O)(c3cccc(Cl)c3)C2)n1	1118911597	SAQYTGBYIGSFSS-UHFFFAOYSA-N	320.780	1.814	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N[C@H](C)c1ccccc1O	879648271	HVZCICBWBKSQAE-NEPJUHHUSA-N	307.394	1.625	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)c2nccs2)cc1OC	770116949	YKUGMBFHEDPBNW-UHFFFAOYSA-N	321.358	1.625	50	20	DDGD	
CC[C@@H](C)n1nc(C(=O)NNC(=O)Cc2cccnc2)cc1C	777980472	DALKSPCSKDJQOI-LLVKDONJSA-N	315.377	1.561	50	20	DDGD	
CCCCCCCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1	875765096	FEUHWMRQTCKCEV-CYBMUJFWSA-N	305.444	1.338	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@]1(N(C)C)CCC[C@H](C)C1	875134712	FQBJRZMEUULIFL-FZMZJTMJSA-N	300.403	1.409	50	20	DDGD	
CCCCOc1ccc(NC(=O)C(=O)NNC(=O)C(C)C)cn1	773493836	JCCAAHZHCWUKHT-UHFFFAOYSA-N	322.365	1.002	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@@H]2CCC(=O)C2)c1	874948133	YRHLWDQZJYGOCI-SECBINFHSA-N	309.366	1.821	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cccc(Br)n1	770269506	SLTKWKXQMYZZIT-UHFFFAOYSA-N	312.167	1.795	50	20	DDGD	
Cc1nnc(CNC(=O)NNC(=O)c2ccccc2C)s1	779968779	ZHGSGRSICHFIDZ-UHFFFAOYSA-N	305.363	1.299	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(C(=O)C(F)(F)F)cc1	880428761	CKFKYZKPVAUJKF-UHFFFAOYSA-N	303.240	1.994	50	20	DDGD	
COCC(=O)NN=C(C)c1cc(Br)cc(C)c1O	777444102	YEBWDXFLCFOWCA-UHFFFAOYSA-N	315.167	1.950	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc2c(C)nn(C)c2nc1C	887140903	XMXAKYMENZRSNU-UHFFFAOYSA-N	313.361	1.150	50	20	DDGD	
CCC(CC)n1nc(C)cc1C(=O)NNC(=O)C1CCOCC1	883067664	PSSAVOKLAILHHZ-UHFFFAOYSA-N	322.409	1.740	50	20	DDGD	
CC[C@]1(C(=O)NNc2c(F)cc(F)cc2F)CCNC1=O	885154663	BYLWCLYPKGATQJ-ZDUSSCGKSA-N	301.268	1.463	50	20	DDGD	
CN1CCCC[C@@H]1C(=O)NNc1nnc(-c2ccccn2)s1	788558028	HEUUPRFVHIUQFK-LLVKDONJSA-N	318.406	1.528	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)NC[C@H]1C=CCC1	883779707	CEYKHGMMMCOSPF-LBPRGKRZSA-N	313.361	1.173	50	20	DDGD	
CN(CC1(O)CCOCC1)C(=O)[C@@H](Br)C(C)(C)C	781712799	VZEZDJNHKZASRE-SNVBAGLBSA-N	322.243	1.796	50	20	DDGD	
C[C@H](CCCc1ccccc1)C(=O)NNC(=O)c1cccnn1	882057008	KMEKERXSEZLMHZ-CYBMUJFWSA-N	312.373	1.897	50	20	DDGD	
COC1CCC(=NNC(=O)Cc2cc(O)nc(S)n2)CC1	783821831	QGEWKUMZZVZYPO-UHFFFAOYSA-N	310.379	1.075	50	20	DDGD	
CCCC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1ccsc1	785453392	IEEIBBQZEVSRLC-VIFPVBQESA-N	317.436	1.306	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)NC[C@@H]1C=CCC1	883725095	LPZZDHDXAVJCLV-GFCCVEGCSA-N	324.425	1.226	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=Cc1cc2ccccc2[nH]1	788434142	GSIKAHLCJVEUOL-UHFFFAOYSA-N	321.340	1.443	50	20	DDGD	
O=C(C1CCC(Cl)CC1)N1CCS(=O)(=O)C[C@H]1C1CC1	1123895742	JDVWOBPXDHKJMY-BPCQOVAHSA-N	319.854	1.820	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)c1cnc(C2CC2)o1	880623788	ZDZFTAPCXZLXSW-UHFFFAOYSA-N	324.138	1.861	50	20	DDGD	
O=C(NN=C1CCOC[C@@H]1CN1CCCCC1)c1ccc[nH]1	787152564	WYSBEZJMDVDYMF-ZDUSSCGKSA-N	304.394	1.623	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@@H]1COC(C)(C)O1	783278679	WONPLNPBHWZQBS-LLVKDONJSA-N	307.350	1.091	50	20	DDGD	
CC(C)c1noc(CCC(=O)NNc2ncncc2Cl)n1	781824640	FVXRFSUPNSAEFN-UHFFFAOYSA-N	310.745	1.712	50	20	DDGD	
Cc1cc(N(C)C)ccc1CNS(=O)(=O)CBr	782445408	VQTQYVAGIDIXSC-UHFFFAOYSA-N	321.240	1.833	50	20	DDGD	
CC(C)Oc1ncccc1C(=O)NNC(=S)NC(C)(C)C	899997124	IFJAHYDHJSTGOH-UHFFFAOYSA-N	310.423	1.776	50	20	DDGD	
COC(=O)c1cccc(CNS(=O)(=O)CBr)c1	782472756	WDYJBCIZOQVBQV-UHFFFAOYSA-N	322.180	1.245	50	20	DDGD	
COCC1(C(=O)NNc2ccccc2S(C)(=O)=O)CCC1	786392256	PTSCGLHAEBKCSZ-UHFFFAOYSA-N	312.391	1.350	50	20	DDGD	
COc1ccc(F)c(C(=O)NNC(=O)NCC2CC2)c1OC	788501917	MVIYJDIZEVHCHK-UHFFFAOYSA-N	311.313	1.197	50	20	DDGD	
COCC(=NNC(=O)c1ccc2c(c1)OCO2)C1CCOCC1	780188779	OPSLRZOAECJSCF-UHFFFAOYSA-N	320.345	1.574	50	20	DDGD	
CO[C@@]1(C(=O)NNc2nccnc2C2CCC2)CCSC1	897762724	XVPXUPMQOXELDS-AWEZNQCLSA-N	308.407	1.709	50	20	DDGD	
O=C(CNc1cccc(Cl)c1)NNc1nc2ccccn2n1	791264338	VPSGSPFUCJUDFQ-UHFFFAOYSA-N	316.752	1.938	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1ccnn1CC(F)F	790023774	YHMKLOFYDJHWEM-UHFFFAOYSA-N	301.684	1.375	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ncccc2C)cc1	791216671	BSICMCYYPVSBCX-UHFFFAOYSA-N	300.318	1.480	50	20	DDGD	
CC(=NNC(=O)c1cccc(N(C)C)c1)C(C)(C)n1cncn1	794474328	LPBPESLNRXKMOR-UHFFFAOYSA-N	314.393	1.885	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1cccc(S(C)(=O)=O)c1	792220865	VCADKWFSVGXHIB-UHFFFAOYSA-N	320.374	1.942	50	20	DDGD	
CC(C)(O)CC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	792017360	HOPSATMGABFOIN-UHFFFAOYSA-N	308.422	1.901	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)c2cnccn2)c(C)c1OC	794889447	XJGTWGDLZPIRHW-UHFFFAOYSA-N	314.345	1.956	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(C#N)c(OC)c1	799482506	UWLZRTROZIHUKA-LLVKDONJSA-N	305.334	1.068	50	20	DDGD	
O=C(CNc1ccccc1Cl)NNC(=O)NCC(F)(F)F	798313089	ARZQLUBGWMSRSZ-UHFFFAOYSA-N	324.690	1.645	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccsc1)c1ccccc1F	795281445	VTQJXIVXPHQZEJ-UHFFFAOYSA-N	300.336	1.511	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(C=O)c(C)cc2C)n[nH]1	793751952	YXFUGBZDJXBGAA-UHFFFAOYSA-N	300.318	1.222	50	20	DDGD	
Cc1ccc([C@H](C)[C@@H](O)C(=O)NNC(=S)NC(C)C)cc1	1319716903	KCXRDQVCKYRUAX-WCQYABFASA-N	309.435	1.363	50	20	DDGD	
C[S@](=O)c1ccc(C=NNC(=O)c2ccccc2O)cc1	1319378687	AVIMNOHEPCETIM-NRFANRHFSA-N	302.355	1.894	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)C1CCC1)c1ccc(F)cc1	1323667358	LNAGHMWXHPUISO-CYBMUJFWSA-N	309.341	1.644	50	20	DDGD	
CN(NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1)c1ccccc1	1322549526	ANVFEFBLRQOWGG-CYBMUJFWSA-N	314.393	1.349	50	20	DDGD	
CCc1ncc(NC(=O)C(=O)NNc2ccc(Cl)nc2)cn1	1320908201	OHEIBORCBGNTEW-UHFFFAOYSA-N	320.740	1.169	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cn(C)nc2C2CC2)cc1	1324270245	OYSYXUCNVIPMDR-UHFFFAOYSA-N	314.345	1.381	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1ccsc1[N+](=O)[O-]	1327459643	DHZVOMUDEHXNRI-UHFFFAOYSA-N	321.380	1.402	50	20	DDGD	
COc1ccc(OCCNS(=O)(=O)CBr)cc1	695215087	ZNYFHEMSGOQIEM-UHFFFAOYSA-N	324.196	1.346	50	20	DDGD	
CC(=NNC(=O)CCN1CCC(C)CC1)c1cncnc1C	1346492490	KRZUFYUIRLZJAC-UHFFFAOYSA-N	303.410	1.747	50	20	DDGD	
Nc1ccc2c(n1)CCCC2=NNC(=O)c1n[nH]c2c1CCCC2	1261277956	QWVGHYKYUWYTOI-UHFFFAOYSA-N	324.388	1.736	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)/C=C/c2nccs2)cc1	1346249988	PDCLGLFGOKDOSK-VOTSOKGWSA-N	317.370	1.691	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H]2C[C@H]2CC(C)C)c1O	1347794751	UOUFDEGBVBNLCX-ZYHUDNBSSA-N	306.362	1.844	50	20	DDGD	
O=C(COc1ccccc1F)NN=C1C[C@H]2C[C@H](C(=O)O)[C@H]1C2	1608352215	QHLRHOBLQDSAGV-MXWKQRLJSA-N	320.320	1.807	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2cc(C(=O)O)cs2)c1	1600600574	LBILUJPJRAANNC-UHFFFAOYSA-N	320.330	1.232	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CCCC(=O)N2C)cc1C(=O)O	1607809742	BGUODJRBGYOGLM-LBPRGKRZSA-N	305.334	1.147	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)c2n[nH]c3c2CCCC3)o1	1602331168	SDLDIMRURBFRFF-UHFFFAOYSA-N	302.290	1.344	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccc(CC(=O)O)cc1)[C@H]1CCCO1	1604068392	PPKJTZBFNBZICM-SMDDNHRTSA-N	306.362	1.962	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCCC[C@H]1C(=O)O	1605576325	LVPXWVCZGPREKZ-UQTJOTSZSA-N	300.314	1.765	50	20	DDGD	
COc1cccnc1C(=O)NNc1ccc(C(=O)O)cc1F	1607348538	MPMVZDCZKLXEHW-UHFFFAOYSA-N	305.265	1.684	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cncnc2C2CC2)c(F)c1	1608904910	OXIQKNDEIUWQMO-UHFFFAOYSA-N	316.292	1.948	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2c(F)ccc(O)c2O)c1	1608936333	MXYHEGWNEZQSMG-UHFFFAOYSA-N	306.249	1.692	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)NC1CC(F)(F)C1	1606861409	ZPLZODJVFKGKPN-UHFFFAOYSA-N	309.280	1.291	50	20	DDGD	
O=C(NNC(=O)[C@@]1(C(=O)O)C[C@H]1c1ccccc1)c1ccccc1	1608476864	AMTVCBGYQCXAFF-KBXCAEBGSA-N	324.336	1.706	50	20	DDGD	
CC[C@@H](C(=O)O)C(=O)NNC(=O)Cc1cccc2ccccc12	1604878606	SQGKPUVENIKPQX-CYBMUJFWSA-N	314.341	1.641	50	20	DDGD	
O=C(O)Cn1cccc1C=NNC(=O)c1ccc2ccccc2n1	1602166294	KMMRPWDRGDEAID-UHFFFAOYSA-N	322.324	1.885	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)CC1(OC)CCC1	1610288138	WUFWDMGJGMERHR-UHFFFAOYSA-N	308.334	1.796	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@@H]1C(=O)NN=Cc1cc[nH]c1	1549313558	ZTXKUUMPUGDLDX-STQMWFEESA-N	301.350	1.366	50	20	DDGD	
CCC(=O)N[C@H]1CCc2nc(NC(=O)[C@H](F)Cl)sc2C1	1817117045	HHXDZCKFCDHVPC-WKEGUHRASA-N	319.789	2.000	50	20	DDGD	
Cc1c(NNC(=O)[C@H]2CC[C@@H](C3CC3)N2)cccc1[N+](=O)[O-]	1579541252	NJEHNUVSWYCAEH-QWHCGFSZSA-N	304.350	1.877	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cn(C)cn2)C1	1842527971	DECZWQIUSPKOMN-NSHDSACASA-N	324.812	1.255	50	20	DDGD	
O=C(CC[C@@H]1CCCN1)NNc1cc(O)nc2ncccc12	1580542517	VUQZQAIQLYVXNZ-JTQLQIEISA-N	301.350	1.311	50	20	DDGD	
O=C(NNc1ccc(F)c(Cl)c1)C1=NO[C@@]2(CCNC2)C1	1580739284	BVUUKLMNFWMWRH-ZDUSSCGKSA-N	312.732	1.431	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1ccccc1CC(=O)O	1591111630	SAZPDWKEIQRKLT-UHFFFAOYSA-N	307.350	1.190	50	20	DDGD	
Cc1cccc(O)c1C(=O)NNc1cccc(-c2nn[nH]n2)c1	1592236266	HMTSDNJDNSRVNU-UHFFFAOYSA-N	310.317	1.638	50	20	DDGD	
COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)C2CCC2)C1	1842590141	OEKKPAZNWJYCBM-GFCCVEGCSA-N	314.813	1.244	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ccc(C(=O)O)o1	1599002559	QNCHWILCTQENDF-UHFFFAOYSA-N	304.258	1.521	50	20	DDGD	
CCC(CC)[C@H](NC(=O)NNC(=O)C(=O)O)c1ccccc1	1595110537	ZHKPJARNPTWUQX-LBPRGKRZSA-N	307.350	1.579	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)N[C@H]1C[C@@H](C(=O)O)C1	1594780562	XKOWYCWCGQHOPG-JGZJWPJOSA-N	316.317	1.017	50	20	DDGD	
Cc1ncoc1C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1592422766	WNTLGRKSQSAGRH-UHFFFAOYSA-N	318.297	1.031	50	20	DDGD	
Cn1ncc(Cl)c1C=NNC(=O)c1cccc(C(=O)O)c1	1776095856	YOXJXRJZAXFOOQ-UHFFFAOYSA-N	306.709	1.536	50	20	DDGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cc(C(=O)O)nn1C	1776119636	HFQQHUWDAULSED-PLOHRWSOSA-N	316.361	1.720	50	20	DDGD	
CCOc1ccc(C=NNC(=O)c2ccc(C(=O)O)cc2)nc1	1776100085	PVXCCWYJGIVQKG-UHFFFAOYSA-N	313.313	1.942	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn[nH]c1)[C@H](F)Cl	1797040083	GAMZJLFSPZHZCX-VLEAKVRGSA-N	314.748	1.196	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccc(CCC(F)(F)F)cc1	162115961	CCFDUGHQFHDMPZ-UHFFFAOYSA-N	317.311	1.504	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCCOC)cc1OC	206261394	XUSIGWWDOACMNB-LCYFTJDESA-N	304.346	1.763	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccnc(OCC(F)F)c1	160400954	BNRVZYXMQWPVAY-UHFFFAOYSA-N	314.292	1.080	50	20	DDGD	
CS[C@@H](C)CC(=O)NNC(=S)NCCc1cccs1	163135325	WWDUQEZALXNZKN-VIFPVBQESA-N	317.505	1.928	50	20	DDGD	
CCc1ccccc1C(=O)NNC(=O)Cn1nc(C)cc1C	152929123	OXDTWJWLKHAWGK-UHFFFAOYSA-N	300.362	1.524	50	20	DDGD	
Cc1c(C(=O)NNc2ncccc2[N+](=O)[O-])cccc1[N+](=O)[O-]	153123535	NBIWNRRLMRUOIN-UHFFFAOYSA-N	317.261	1.963	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	153549991	LUWBIPMMRSAQAL-ZDUSSCGKSA-N	306.366	1.474	50	20	DDGD	
N#Cc1ccc(NNC(=O)Cc2ccc(-n3cnnn3)cc2)cc1	155115968	RFOFVWCRQYUKMP-UHFFFAOYSA-N	319.328	1.220	50	20	DDGD	
O=C(Cn1c(=O)oc2ccccc21)NNc1ccncc1Cl	154784782	RJUMVWCRKOFPPK-UHFFFAOYSA-N	318.720	1.786	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	154920410	NHMQLVKORWKNKP-BHYGNILZSA-N	322.368	1.293	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CCCCO1	159808929	OCHGYXZGPMCGOJ-GWCFXTLKSA-N	310.325	1.310	50	20	DDGD	
COc1ccc(NNC(=O)C2(NC(C)=O)CCCCC2)nc1	159298458	AZBJVMNSPDPFRT-UHFFFAOYSA-N	306.366	1.372	50	20	DDGD	
COc1ccc(NNC(=O)c2ncn(-c3ccccc3)n2)nc1	159190204	VYHFLFZKKJYFEM-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
C[C@H](NS(=O)(=O)CCCCCl)c1nnc2ccccn12	163431137	WAGYHTZZAALUSM-JTQLQIEISA-N	316.814	1.729	50	20	DDGD	
CC(C)CN(CCC(=O)O)S(=O)(=O)CBr	308850525	ODHBFOLIHIRDER-UHFFFAOYSA-N	302.190	1.101	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)c2ccccn2)cc1	6963292	DTEYSLKUOQHSDS-UHFFFAOYSA-N	300.318	1.947	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1ccncc1)n1cnc2ccccc21	175797505	GFBHGSRZTCSYNE-GFCCVEGCSA-N	323.356	1.382	50	20	DDGD	
CCC(CC)CNC(=O)NNC(=O)Cc1cn2ccccc2n1	175541114	OYLCESSXEIZVQK-UHFFFAOYSA-N	317.393	1.643	50	20	DDGD	
CCOc1cn(-c2ccccc2)nc1C(=O)NNc1ncccn1	103067901	UBJXFGDEIDJUNI-UHFFFAOYSA-N	324.344	1.818	50	20	DDGD	
Cc1ccc(NNC(=O)NCCCN2CCCCCC2=O)nn1	106254978	XGBFNYYJHLUFHK-UHFFFAOYSA-N	320.397	1.204	50	20	DDGD	
CCCSCC(=O)NNC(=O)COc1ccc(C#N)cc1	56087835	IZUDIKZGXSEHPB-UHFFFAOYSA-N	307.375	1.228	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCCCOC1CCCC1	177450733	JMDZMTXSGCJIPE-UHFFFAOYSA-N	320.393	1.304	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCc2ccc(Cl)cc2)[nH]n1	171858347	PMZDMWZRCBJGQL-UHFFFAOYSA-N	307.741	1.516	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1cc2ccccc2s1	106417816	IYCKIXWOPYZCHD-UHFFFAOYSA-N	300.343	1.628	50	20	DDGD	
CCC(CC)N1C[C@H](C(=O)NNc2cc(C)nc(C)n2)CC1=O	172373725	WOTMDJZRWIBGBH-GFCCVEGCSA-N	319.409	1.574	50	20	DDGD	
O=C(NNC(=O)c1cccc(NC(=O)C2CC2)c1)NC1CC1	64429319	FLQOCIJTWRTGSA-UHFFFAOYSA-N	302.334	1.142	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCc1ccc2c(c1)CCO2	172035918	FITBLVRQBWMDBF-UHFFFAOYSA-N	319.405	1.931	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Cc2c[nH]c3ncccc23)c1	119093191	QGMQUKPVXDFIFH-UHFFFAOYSA-N	319.324	1.438	50	20	DDGD	
CCCNC(=O)CCC(=O)NNC(=O)c1cccc(Cl)c1	171744123	JPNQDAVLQPIMAC-UHFFFAOYSA-N	311.769	1.407	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cnc(C)s2)n1	177663846	CFGHXYMJSUEUNJ-UHFFFAOYSA-N	306.395	1.845	50	20	DDGD	
Cc1ccc([C@@](O)(CC(=O)NNC(=O)N(C)C)C(F)(F)F)o1	179887400	DXBYXLSUGAJHFR-NSHDSACASA-N	323.271	1.030	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@@H]1COc2ccccc2C1	171511336	JSIZONNCYGIOID-AWEZNQCLSA-N	311.341	1.023	50	20	DDGD	
C=C1c2ccccc2C(=O)N1CC(=O)NNc1nc(C)cc(C)n1	14514611	QIBLWHGDSROASF-UHFFFAOYSA-N	323.356	1.663	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNc1ccc(Cl)nn1	118498124	BCCDCXMVFHSASE-VIFPVBQESA-N	311.773	1.364	50	20	DDGD	
CC(C)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)c2cnn(C)c2)C1	118071904	QQOGXIGGDGPPFX-DGCLKSJQSA-N	307.398	1.579	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNc2cc(C)nc(C)n2)ccc1F	172375958	AMBAHMBNOFSBIZ-UHFFFAOYSA-N	317.324	1.948	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(C(C)C)c1	124701352	AYARBBMGBKPOBN-LLVKDONJSA-N	305.378	1.942	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CSc2ccccc2O)n1C	125662680	MGVHBQBLGAMVRY-UHFFFAOYSA-N	319.386	1.592	50	20	DDGD	
C#Cc1cccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)c1	126162149	YSUDRBODQWLPDS-UHFFFAOYSA-N	301.346	1.190	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cnn3ccncc23)cc1	189855508	SOEJJCHYVRBROH-UHFFFAOYSA-N	309.329	1.367	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(C#N)c(Cl)c1)S(C)(=O)=O	182394243	BOQAIBJJVIOCNX-SSDOTTSWSA-N	301.755	1.088	50	20	DDGD	
Cn1cc(CC(=O)NNc2ccc([N+](=O)[O-])cc2Cl)cn1	125787850	DLXQYWYATMYDTB-UHFFFAOYSA-N	309.713	1.668	50	20	DDGD	
O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1	184582401	IKBKJPYOHDDEIF-UHFFFAOYSA-N	301.258	1.375	50	20	DDGD	
O=C(CC[C@@H]1CCCO1)NNC(=O)COCc1ccccc1	78193588	HYUJKKZSINMRLQ-AWEZNQCLSA-N	306.362	1.310	50	20	DDGD	
CCSCc1cc(C(=O)NNC(=O)c2cc(C)n[nH]2)no1	184977724	IAGANELORUDGGE-UHFFFAOYSA-N	309.351	1.034	50	20	DDGD	
Cc1nccn1-c1ccc(CNC(=O)NNc2ccccn2)cn1	127708329	ILSCICCWFKZJKK-UHFFFAOYSA-N	323.360	1.797	50	20	DDGD	
COCCCOc1ccc(C(=O)NNc2ccnc(F)c2)cn1	182521455	OLFWEIKBHNWSNK-UHFFFAOYSA-N	320.324	1.788	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)c1cnn(C)c1	185675975	AJHJMWFWIRBOGJ-YPMHNXCESA-N	308.382	1.167	50	20	DDGD	
CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NNc1cccnn1	77035243	VDHFRYXJHCLQHZ-GFCCVEGCSA-N	319.390	1.436	50	20	DDGD	
CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NNc1cnccn1	133295574	ZXKFFIBJCQIUEK-YPMHNXCESA-N	320.397	1.140	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)C(=O)NNC(=O)CCc1ccccc1	132243459	FJVQSLOKHIADGN-LLVKDONJSA-N	314.389	1.910	50	20	DDGD	
CNC(=O)c1ccc(/C=C(\C#N)C(=O)O[C@@H](C)COC)cc1	192972880	IYGZDDBZYBDUBC-KYJZABPNSA-N	302.330	1.531	50	20	DDGD	
CC(=O)NNC(=O)c1cc(Br)c2c(c1)OCCO2	195436521	PJAMMNLADDEFOY-UHFFFAOYSA-N	315.123	1.001	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc([N+](=O)[O-])ccc1C	132178097	OIBXCTOTBVEIBA-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
Cc1nc(NC(=O)C(=O)NNC(=O)CC2CCCC2)sc1C	193289432	QLHZCLBBICVNME-UHFFFAOYSA-N	324.406	1.426	50	20	DDGD	
COCc1cccc(CNC(=O)NNC(=O)c2ccccc2)c1	46158026	IXJYMBHEXREKJP-UHFFFAOYSA-N	313.357	1.977	50	20	DDGD	
CCO[C@H](CC)C(=O)NNC(=O)c1cc(Br)c[nH]1	48964772	VGMTVRRVOVAZNI-SECBINFHSA-N	318.171	1.353	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1nc2c(s1)CCCC2	193288676	BVNVRLXRHAUZMC-MRVPVSSYSA-N	324.406	1.154	50	20	DDGD	
COc1cccc(C)c1NC(=O)NNC(=O)c1ccncc1	195057721	SPJYUEUWJPLZJO-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
Cc1cnc(SCC(=O)NNC(=O)c2ccccc2)nc1	42088270	YWIYDTPBASYODX-UHFFFAOYSA-N	302.359	1.338	50	20	DDGD	
O=C(NNC(=O)c1ccnc(Br)c1)c1ccncc1	131528293	VREXQPXWFFBLEH-UHFFFAOYSA-N	321.134	1.314	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNc2nc3ccccn3n2)cc1	191876997	WTNIVFAIHJTQQP-UHFFFAOYSA-N	311.349	1.944	50	20	DDGD	
CCN(CC(=O)NNC(=O)C(C)(C)c1ccccc1)C1CC1	269692740	OQNFGDILOVELBF-UHFFFAOYSA-N	303.406	1.596	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@H](C)n1cccn1)c1ccccc1	264727701	WGWNQAIVEWPRNK-GXTWGEPZSA-N	300.362	1.785	50	20	DDGD	
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1nc(C)cc(C)n1	263953782	BORILDQVFJZYIQ-NSHDSACASA-N	323.397	1.840	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)[C@H]1CCOC1	266593180	RBAVLICBWAQPGE-PWSUYJOCSA-N	309.341	1.124	50	20	DDGD	
O=C(NCCCO[C@H]1CCOC1)NNc1ccc(Cl)nc1	268203167	YKWNDHKXJSAZPN-NSHDSACASA-N	314.773	1.557	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCc2cccc(O)c2)n1	266985886	UQEPWNVRMGZQAI-UHFFFAOYSA-N	317.349	1.368	50	20	DDGD	
C[C@@H]1C[C@H](CCNC(=O)NNC(=O)Cc2cccnc2)CCO1	273226881	VTAZSNDKEIQQQS-CHWSQXEVSA-N	320.393	1.160	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNC(=O)C2CC2)c(F)cc1F	273195655	KCYPHQRXUHKTOB-UHFFFAOYSA-N	313.260	1.314	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccc(NC(=O)C2CC2)c1	271453987	VKIIKXNSKMYRSZ-UHFFFAOYSA-N	304.350	1.341	50	20	DDGD	
COCCOc1cc(OC)ccc1C(=O)NNC(=O)CC(C)C	276308101	OZRUAQVYYKYOBT-UHFFFAOYSA-N	324.377	1.528	50	20	DDGD	
CO[C@H]1CCC[C@@H](CC(=O)NNC(=O)Cc2ccncc2)C1	279995332	RSMQLMAWAUYYQB-KGLIPLIRSA-N	305.378	1.367	50	20	DDGD	
CN(CCOc1ccccc1F)C(=O)CN1CC=C(C#N)CC1	272603985	HNHXGUWGSHLICU-UHFFFAOYSA-N	317.364	1.819	50	20	DDGD	
COc1cccc(NNC(=O)[C@H]2Oc3ccccc3O[C@H]2C)n1	272514194	JTWSQQZKGCSQDB-BONVTDFDSA-N	315.329	1.762	50	20	DDGD	
COc1cc(C)nc(NNC(=O)COC2CCC(C)CC2)n1	279840380	JNADYKSZPLUSCX-UHFFFAOYSA-N	308.382	1.832	50	20	DDGD	
C[C@](O)(Cc1ccccc1)C(=O)NNc1nnc(C2CC2)s1	273636727	SMSSXKVLQYUVRI-HNNXBMFYSA-N	318.402	1.852	50	20	DDGD	
COc1ccnc(NNC(=O)C[C@H]2C(=O)Nc3ccccc32)n1	377479357	WDDJEGZPDOQNLR-SNVBAGLBSA-N	313.317	1.054	50	20	DDGD	
Cc1nn(C(C)C)cc1/C=C(\C#N)C(=O)NC[C@H]1CCCO1	281068638	SPPLYSSHXQLJRO-MYWXAZLQSA-N	302.378	1.975	50	20	DDGD	
O=C(NNc1ncccc1F)[C@H]1CC[C@H](C(F)(F)F)NC1=O	286127850	XGAAMPWNNZBUSQ-POYBYMJQSA-N	320.246	1.121	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1	286073990	MLQPNCSDGYGBLP-HECSCLNYSA-N	317.389	1.858	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)c1cc2ccccc2o1	286369469	ADHBVQNSGABPBT-QWRGUYRKSA-N	316.313	1.393	50	20	DDGD	
CC(C)(C)n1ncnc1CNC(=O)NNc1ccc(Cl)nn1	282607098	JAWPKNDFWUNWDN-UHFFFAOYSA-N	324.776	1.303	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cc(C3CC3)cnc2Cl)cn1	280042424	GWUBAWXUQIHOJY-UHFFFAOYSA-N	319.752	1.421	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(=O)NC(C)C)c(C)cc1Cl	280401061	XPVYYWCIDQKMOK-UHFFFAOYSA-N	311.769	1.242	50	20	DDGD	
CC(C)(CCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-]	294273686	SDOYAEROQUBSRO-UHFFFAOYSA-N	324.293	1.191	50	20	DDGD	
CCC[C@H](C)C(=O)NCCNC(=O)NNc1ncccc1F	292798465	NFCZGVSNAPENJN-JTQLQIEISA-N	311.361	1.399	50	20	DDGD	
O=C(NNC(=O)c1conc1C1CC1)c1ccc2c(c1)OCO2	809949934	HRIPSQJKWMTZTQ-UHFFFAOYSA-N	315.285	1.356	50	20	DDGD	
C[C@@H](C(=O)NNc1cnccn1)n1ccc2ccccc2c1=O	806860856	DMTLQXKPXMDRNM-NSHDSACASA-N	309.329	1.496	50	20	DDGD	
CCn1cc(CC(=O)NNC(=O)Nc2cc(F)cc(F)c2)cn1	802000417	OVPDKMLNHWLIFX-UHFFFAOYSA-N	323.303	1.577	50	20	DDGD	
Cc1noc(C(C)C)c1C(=O)NNC(=O)N=c1cc[nH]cc1	802026790	ZBOIFFATFYQMMC-UHFFFAOYSA-N	303.322	1.390	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C2CCN(C)CC2)cc1	291801967	AHBGABREYIWYHX-UHFFFAOYSA-N	319.405	1.117	50	20	DDGD	
CC1(C)[C@H]2CC[C@@]1(C(=O)NNc1nc3ccccn3n1)C(=O)C2	295840687	ZOLJPXUOPBAFNM-QFYYESIMSA-N	313.361	1.568	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cnc(-c2ccco2)s1	295606132	QHPLQIXZNVBFSC-SECBINFHSA-N	321.358	1.733	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cccc(OC[C@H]2CCCO2)c1	294330267	YVNAPMHJKAOVGN-OAHLLOKOSA-N	318.373	1.806	50	20	DDGD	
O=C(NNC(=O)c1ccnc(O)c1)Nc1ccc(Cl)cc1	802020841	JOLMMLBUBZBAQW-UHFFFAOYSA-N	306.709	1.907	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(F)c(F)c(F)c1	295754728	PGBFVYDCZPOREX-SNVBAGLBSA-N	302.252	1.434	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)C1=Cc2ccccc2OC1	295288897	DFBNGFXUWUSFNQ-CQSZACIVSA-N	302.330	1.179	50	20	DDGD	
C=CCSCCNC(=O)NNC(=O)Cc1ccccc1OC	299335522	RHZWFFUOMMTGAT-UHFFFAOYSA-N	323.418	1.487	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)Cc2ccccn2)[C@H]2CCC[C@H]21	296518994	ZXYJFNIFWRXUHE-KGLIPLIRSA-N	316.405	1.875	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@H](F)C(F)(F)F)nc1C	290577276	YHJFQOKFNVKIEX-ZETCQYMHSA-N	324.234	1.305	50	20	DDGD	
O=C(NCCC1(O)CCOCC1)NNc1cccc(Cl)n1	293411784	QSSXUQWFKVAELU-UHFFFAOYSA-N	314.773	1.293	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc32)cc1	801108838	OFKVJIQGCMKFLU-HNNXBMFYSA-N	323.352	1.421	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccnc(C)n2)cc1	802052542	OBCZCECYJLTPIM-UHFFFAOYSA-N	301.306	1.260	50	20	DDGD	
O=C(NNc1ncncc1F)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2	293012728	LZLCNOMVUGYSDH-JLLWLGSASA-N	321.356	1.590	50	20	DDGD	
COc1cc(CC(=O)NNC(=O)C(C)(C)C)cc(OC)c1OC	298787864	CSMPAVQEJOVRSY-UHFFFAOYSA-N	324.377	1.448	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)N(C)C)cc1OC	298397607	VMJMWIRQKOIALG-UHFFFAOYSA-N	309.366	1.790	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H]2C[C@]23CCc2ccccc23)O1	294209882	LPHKQVPWXILXMO-PDOBJIDASA-N	314.385	1.605	50	20	DDGD	
CCCCn1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)c(C)n1	295621227	RQHKWSUHYPGNSS-ZDUSSCGKSA-N	308.382	1.322	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)COc1cc(C)cc(C)c1	294438341	RWVOTTOAYFTVGF-CQSZACIVSA-N	308.378	1.645	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1F	295274726	ZOWHQYXFSFRBCQ-CABZTGNLSA-N	316.354	1.011	50	20	DDGD	
O=C(COCc1cccnc1)NNC(=O)Cc1ccc(F)cc1	805153588	FBGYHGGWIDOTGC-UHFFFAOYSA-N	317.320	1.127	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)NOC/C=C/Cl	812704629	PUSKVMQSSDIDHX-LZCJLJQNSA-N	317.704	1.219	50	20	DDGD	
Cn1cc(C(=O)NNc2ncncc2F)c(-c2ccccc2)n1	817079524	GHRHEYRGLHXYJS-UHFFFAOYSA-N	312.308	1.773	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc(Nc2nc(C)cs2)cc1	813421914	YYCPUARKSWODIN-UHFFFAOYSA-N	305.363	1.769	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NN=C2CCN(CCO)CC2)c1	819805731	CXQUKFQFPVUYKM-UHFFFAOYSA-N	319.405	1.243	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2cnccn2)c2c(O)ccc(F)c21	818285500	DSXCYCGYEAKBDY-QMMMGPOBSA-N	300.293	1.963	50	20	DDGD	
CCOCC(=O)NN=Cc1ccc(Cl)cc1-n1cncn1	814843071	KHFJKHUBRVZIJA-UHFFFAOYSA-N	307.741	1.407	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)C(=O)Nc1ccc(C#N)cn1	815634199	GAYREDWWCOXODE-UHFFFAOYSA-N	323.356	1.906	50	20	DDGD	
O=C(NNc1ncccn1)c1nc(F)ccc1Br	816848862	LUOSDDXZUFJFEI-UHFFFAOYSA-N	312.102	1.530	50	20	DDGD	
CC(=NNC(=O)NC(C)C)c1cccc(O[C@@H](C)C(=O)O)c1	814819839	LETVKKJRZLPDQQ-NSHDSACASA-N	307.350	1.970	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NN=Cc3cnn(C)n3)cc2C1	814759673	KPFJCJTYBHGEQZ-VIFPVBQESA-N	303.391	1.765	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cc(C=O)c[nH]2)cc1	816772273	SWPMKJPBYIZTCM-UHFFFAOYSA-N	315.329	1.230	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@H](Br)C(C)(C)C)C[C@H]1C(=O)O	817869911	BMRPIKPXYOVTFD-HLTSFMKQSA-N	306.200	1.975	50	20	DDGD	
CCCN(CC)C[C@H](C)NC(=O)NNc1nc(C)cc(OC)n1	811978511	NTSAVURBRVNULC-LBPRGKRZSA-N	324.429	1.540	50	20	DDGD	
CC(=NNC(=O)c1cccc(S(C)(=O)=O)c1)c1csnn1	814801788	MTIUEZLSNPOMNR-UHFFFAOYSA-N	324.387	1.096	50	20	DDGD	
Cc1[nH]ccc1C(=O)NNc1ccccc1S(=O)(=O)N(C)C	817052892	VCOFYPZNWBMCFY-UHFFFAOYSA-N	322.390	1.330	50	20	DDGD	
NS(=O)(=O)c1ccc(NC(=O)NN=Cc2ccco2)cc1	814967430	KLZUBLGZFBPTBG-UHFFFAOYSA-N	308.319	1.083	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccc(C)c1NC(C)=O	729343430	RONRTEIHLAXCGX-UHFFFAOYSA-N	306.366	1.698	50	20	DDGD	
CCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccc(C)cc1	728437769	WWBSMPKUJPALLM-LLVKDONJSA-N	311.407	1.163	50	20	DDGD	
CC(=NNC(=O)Cc1cccnc1)c1ccc2c(c1)NC(=O)CO2	728784916	XGSXMWAZXNXSMP-UHFFFAOYSA-N	324.340	1.495	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC2(CCC2)[C@H]1C1CCOCC1	823660129	FPYXXLSUPJHBNB-SWLSCSKDSA-N	323.437	1.213	50	20	DDGD	
O=C(CN1CCOC1=O)NNc1c(Cl)cccc1Cl	820969543	RLUSXYDIWPBHTB-UHFFFAOYSA-N	304.133	1.889	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](C(=O)NNC(=S)N[C@H](C)C2CC2)CCO1	824445933	DEHSSXKYPQRTCH-WXHSDQCUSA-N	313.467	1.731	50	20	DDGD	
O=C(CC1CC1)NNC(=O)CC1CCN(CC(F)F)CC1	823202329	HIAPJMJETPYESG-UHFFFAOYSA-N	303.353	1.301	50	20	DDGD	
Cc1cc(F)ccc1-n1ccc(C(=O)NN(C)[C@@H](C)CO)n1	823936104	ZWDKRCHDMYZARZ-NSHDSACASA-N	306.341	1.277	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cc(C(N)=O)ccc1CN(C)C	490755427	VBKYPSDFGGOTLR-JLHYYAGUSA-N	316.361	1.230	50	20	DDGD	
C[C@H](C=NNC(=O)c1cccnc1)CNC(=O)OC(C)(C)C	496631149	GOHJSDGFLFANQE-NSHDSACASA-N	306.366	1.958	50	20	DDGD	
CC(C)(F)CCNC(=O)NNC(=O)COc1ccc(F)cc1	822094184	LVVDQDQNFQLWID-UHFFFAOYSA-N	315.320	1.673	50	20	DDGD	
C[C@@H]1CCCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)[C@@H]1CO	491050508	PUFOKTPQGPBGSZ-SYLKQSLASA-N	300.358	1.919	50	20	DDGD	
CNc1ncnc2cc(C(=O)NNC(=O)NCC3CC3)ccc12	823803540	CQPICFDXWOGROB-UHFFFAOYSA-N	314.349	1.026	50	20	DDGD	
CS/C=C\C(=O)NNC(=S)NCCc1cccs1	820168650	GDQIDKKOCUYLGZ-YVMONPNESA-N	301.462	1.663	50	20	DDGD	
C[C@H]1SCC[C@@H]1NC(=O)NNC(=O)c1ccc(C#N)cc1	825814557	FVDIDEGEQPJIAC-SKDRFNHKSA-N	304.375	1.396	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCCC[C@H]2CCCCO2)cn1	491163718	XUKBGGCEPNFYJU-KQGZCTBQSA-N	302.378	1.793	50	20	DDGD	
COc1cccn2ncc(C(=O)NN[C@@H](C)C(F)(F)F)c12	826940162	AAMQWCKLORZKLS-ZETCQYMHSA-N	302.256	1.528	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2cccc(-c3nn[nH]n3)c2)CCO1	824892474	IUDWDZSPVVJMKC-MWLCHTKSSA-N	317.353	1.060	50	20	DDGD	
CN(C(=O)c1ccc(B(O)O)cc1)[C@@H]1CCC[C@H]1c1ccccc1	584997490	CZSZHWINKJGJLH-ZWKOTPCHSA-N	323.201	1.775	50	20	DDGD	
C=CCCC(=O)NNC(=O)Cn1c(CC)nc2ccccc21	726522281	GTOVNKMYFRQKML-UHFFFAOYSA-N	300.362	1.712	50	20	DDGD	
CCc1ncc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)s1	825750600	UDLCDACYHKMLBM-UHFFFAOYSA-N	315.362	1.643	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC[C@H]1/C=C/c1ccccc1	828755699	PJHFNSXAJCQITR-OFAQMXQXSA-N	315.417	1.968	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)C2(Br)CC2)n1	821833225	QTLWNCYJERGBJU-UHFFFAOYSA-N	306.551	1.083	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)NC(=O)[C@]1(C)C[C@@H]1Br	909234633	DNJMDLRDUHDRRQ-UBHAPETDSA-N	300.200	1.641	50	20	DDGD	
CC(=NNC(=O)c1ncccc1C)c1ccc(-c2nn[nH]n2)cc1	823953845	SCZHPGFHTQVVBC-UHFFFAOYSA-N	321.344	1.724	50	20	DDGD	
Cc1cccc(C(=O)NNc2ccccc2S(C)(=O)=O)c1O	732301856	KMSVXGBUXKTEGN-UHFFFAOYSA-N	320.370	1.861	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)SC(=S)N1CCCC1	731904549	NWSFWOMBONAREP-SNVBAGLBSA-N	317.480	1.682	50	20	DDGD	
CCC[C@H](C)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	494045028	WAWSCDWSVCBFHQ-NSHDSACASA-N	315.414	1.875	50	20	DDGD	
CCCN(CC)c1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cn1	585068772	FDPLNULPEPNFDB-CYBMUJFWSA-N	305.187	1.007	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)c1ccc(-c2nn[nH]n2)cn1	738136261	CXJAZYJQFUCWSX-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
Cc1ccc2oc(SCC(=O)NNC(=O)C(C)C)nc2n1	829439129	WOMWNJIDXZIISL-UHFFFAOYSA-N	308.363	1.427	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1csc(Nc2ccccn2)n1	736073375	HQVMBFXKBWRVJS-UHFFFAOYSA-N	306.351	1.198	50	20	DDGD	
OB(O)c1ccccc1CNCCc1ccc(OC(F)F)cc1	585014291	MOFNVRLFYKFKLJ-UHFFFAOYSA-N	321.132	1.300	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1nc(C2CCC2)cs1	497252980	OTCJZMJVHHPQSD-UHFFFAOYSA-N	312.351	1.126	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccnc(C(=O)O)c1	833148511	LGWYXOJRDINEJM-UHFFFAOYSA-N	302.246	1.445	50	20	DDGD	
CCO[C@@H]1COC[C@H]1NC(=O)NNc1cccc(Cl)n1	836652602	DJWIURRAYGGVEP-RKDXNWHRSA-N	300.746	1.165	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)NN(C)C2CC2)c1C	491046985	IAPNMFDYHHOPSR-XNTDXEJSSA-N	316.405	1.784	50	20	DDGD	
C[C@H](CCCC(F)(F)F)NC(=O)c1cccc(B(O)O)c1	584984014	VWJYOYRCLBFWOX-SECBINFHSA-N	303.089	1.217	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2c(F)cccc2Cl)CCC(=O)N1	838735634	UCSBQFCUMIWMAO-ZDUSSCGKSA-N	314.748	1.774	50	20	DDGD	
COc1ccc(CCCC(=O)NNC(=O)NC2CC2)cc1OC	900383006	KVKDXKSNDBPOPZ-UHFFFAOYSA-N	321.377	1.519	50	20	DDGD	
CC(=O)N[C@@H](CCC(C)C)C(=O)NNc1nc2ccccn2n1	834350360	BKYIGJFMPQMPMW-LBPRGKRZSA-N	318.381	1.113	50	20	DDGD	
C#CCOc1cccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	831448447	XXKDFJDTBWZHMN-BXUZGUMPSA-N	317.345	1.276	50	20	DDGD	
O=C(CCC1CCCCC1)NNC(=O)c1ccc(C(=O)O)nc1	739233458	CZVIMXSDMZVVFL-UHFFFAOYSA-N	319.361	1.901	50	20	DDGD	
Cc1c(NNC(=O)NC[C@@H]2CCCNC2=O)cccc1[N+](=O)[O-]	838779985	AUYPUXDVRMQKRD-JTQLQIEISA-N	321.337	1.056	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1cc2c(cn1)CCCC2	836633391	IWIYOMNOSGXWJO-ZDUSSCGKSA-N	318.377	1.682	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)C(=O)NNc1ccc([N+](=O)[O-])cc1	837487387	HSSCQCGDBYDFLT-SNVBAGLBSA-N	303.322	1.650	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1CCOc2c(CC)cccc21	731281994	FIYFXQVSDVZVAW-CYBMUJFWSA-N	321.377	1.440	50	20	DDGD	
CC[C@H]1C[C@@H](c2nc(-c3cccc(B(O)O)c3)no2)CCO1	585053661	NYSQOGYHQUIDCH-AAEUAGOBSA-N	302.139	1.089	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2cccc(-c3nn[nH]n3)c2)CCN1C	736222304	CENKWRDBQQAMRO-SNVBAGLBSA-N	313.365	1.067	50	20	DDGD	
C[C@H](OC1CCCCCC1)C(=O)Nc1cccc(B(O)O)c1	584913276	SARFXLMVFMNEKZ-LBPRGKRZSA-N	305.183	1.433	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)c1cn(C)nc1C1CCCC1	901836284	MXVVCSCQKGDPLT-UHFFFAOYSA-N	314.411	1.043	50	20	DDGD	
CCOc1ncccc1C(=O)NNc1ccc(C(=O)O)cn1	833665724	WXKCXJPTXUWCEL-UHFFFAOYSA-N	302.290	1.330	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H](C)[C@@H](OC)C1CC1	836291842	JWPVUOBZHUMYPG-QMTHXVAHSA-N	321.377	1.453	50	20	DDGD	
O=C(O)[C@H]1CCC[C@H](C(=O)NNc2ncccc2[N+](=O)[O-])C1	833183903	LXFDASIIZQFHSO-IUCAKERBSA-N	308.294	1.324	50	20	DDGD	
O=C(COC(=O)CCC1CC1)NNC(=O)c1ccc(Cl)cc1	734612712	RCKIIDFNYNEVIE-UHFFFAOYSA-N	324.764	1.834	50	20	DDGD	
N#C/C(=C\c1c[nH]c(C(=O)O)c1)C(=O)NCCc1ccccc1	833062643	CZTYFANIRSXCMQ-RIYZIHGNSA-N	309.325	1.979	50	20	DDGD	
O=C(O)NCCC(=O)NNC(=O)c1c(Cl)cccc1Cl	738657922	RUFMEGNPCJLICZ-UHFFFAOYSA-N	320.132	1.412	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CCCN2C2CC2)c1F	837061946	WKGGUPVOBHOETF-ZDUSSCGKSA-N	321.352	1.682	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)Cc2ccncc2)C[C@@H]1c1ccccc1	839697207	UGFAMRUAIQLZLQ-QAPCUYQASA-N	309.369	1.965	50	20	DDGD	
CCc1ncncc1C(=O)NNc1nc2ccccc2c(=O)n1C	733263620	NCGUCXKYPWKTCC-UHFFFAOYSA-N	324.344	1.043	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ncc(F)cc1F)Cn1cccn1	837798804	CQBDIBPXRJWNEH-VIFPVBQESA-N	310.308	1.519	50	20	DDGD	
C[C@]1(NS(=O)(=O)CBr)CCCC[C@@H]1C(=O)O	833571465	ZVSRNOUOSAKXBC-APPZFPTMSA-N	314.201	1.292	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)Cn2cnnn2)C1	912585038	NGDZYHALMGTJIC-NSHDSACASA-N	311.462	1.296	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNC(=O)c1cccc2cccnc12	747424242	RJOTWOUIFFLZGL-ZDUSSCGKSA-N	301.346	1.811	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H]2CCC=CO2)c1F	838567472	SIKUXLLVDXLXHM-SNVBAGLBSA-N	323.324	1.931	50	20	DDGD	
Cc1ccn2c(=O)c(C(=O)NNc3nc(C)cc(C)n3)cnc2c1	915639751	QAXDYMAEDBNZHF-UHFFFAOYSA-N	324.344	1.167	50	20	DDGD	
CC[S@@](=O)c1ccccc1C(=O)NNC(=O)C1CCCC1	914848798	APYRSMPATWSIIM-OAQYLSRUSA-N	308.403	1.765	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(CCO)c1ccccc1	746478278	QQOQPGYDWZPTLN-CYBMUJFWSA-N	307.394	1.067	50	20	DDGD	
C[C@]1(C(=O)NCCCCS(C)(=O)=O)C[C@@H]1Br	911278476	OJFGBCDRVQUESP-WPRPVWTQSA-N	312.229	1.101	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C=NNC(=O)c2ccncc2)c1C	744526439	WKHXWBHLWACGQT-UHFFFAOYSA-N	314.345	1.967	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(-c2cc[nH]n2)s1	843970545	HTPOKXSSFBUNGV-RKDXNWHRSA-N	320.374	1.324	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC(C(F)(F)F)CC1	744419673	JKNPROCHTAGQOP-JTQLQIEISA-N	323.359	1.843	50	20	DDGD	
O=C(COC[C@@H]1CCCO1)NNC(=O)c1cc2ccccc2o1	749476826	DHRZCCZFFUXDJZ-LBPRGKRZSA-N	318.329	1.389	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1ccnc(Br)c1	913077681	ARYDPAQIIOOHGF-NTMALXAHSA-N	310.151	1.904	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H](C)Cc2ccccn2)n1	848666713	AWOINGCWIXQERC-GFCCVEGCSA-N	300.366	1.746	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)C2(O)CCC2)cc1	841375669	JDGGJBOTANKEEF-UHFFFAOYSA-N	309.391	1.318	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=S)NCC1CC1	849259024	YQIXXPVJSAPOCG-UHFFFAOYSA-N	312.826	1.928	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@@](O)(CN2CC=C(C#N)CC2)C1	846841523	OKBHDQVGSCYRFA-MRXNPFEDSA-N	307.394	1.514	50	20	DDGD	
CSc1cccc(C(=O)NNC(=O)Cn2nc(C)cc2C)n1	843753322	GGZVMFUXFPVCNH-UHFFFAOYSA-N	319.390	1.078	50	20	DDGD	
CO[C@@]1(C=NNC(=O)Cn2c(C)nc3ccccc32)CCOC1	841609873	WKDHMPQPTNPHRB-MRXNPFEDSA-N	316.361	1.252	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2ncsc2c1	843639854	KJQZXDHOJAHPHM-WCBMZHEXSA-N	305.359	1.482	50	20	DDGD	
COCCOC[C@@H](C)NC(=O)NNc1cc(F)c(F)c(F)c1	746768795	ZVELWWWWLLKQBC-MRVPVSSYSA-N	321.299	1.782	50	20	DDGD	
O=C(CCN1CCCC1=O)NNc1cc(F)c(F)c(F)c1	746704663	DKKLXHIVLIPFPG-UHFFFAOYSA-N	301.268	1.560	50	20	DDGD	
O=C(NNC(=O)N1CC[C@@H](c2ccccc2)C1)c1ncccn1	841593892	MNBATQIPQXLRIV-CYBMUJFWSA-N	311.345	1.321	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1ccc2c(c1)CCCN2	841301922	AKVNNWVUGREVKM-CQSZACIVSA-N	318.377	1.767	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)C(C)(C)c1ccccc1)C(=O)O	848584805	AGNHZXXXOYQUOP-JTQLQIEISA-N	307.350	1.015	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=S)Nc1ccc([N+](=O)[O-])cc1	843276591	DJVRIQMQMQDNJN-KWQFWETISA-N	324.362	1.337	50	20	DDGD	
CCN1CC[C@@H](OC(=O)/C(C#N)=C\c2ccc(OC)cc2)C1=O	849633880	PPXZTLQLCFSIQE-VSKPTYQZSA-N	314.341	1.766	50	20	DDGD	
C[C@H]1CC[C@H](C)N1CC(=O)NNC(=O)CCc1ccccc1	746189745	CEQDYFPETQLIRA-KBPBESRZSA-N	303.406	1.639	50	20	DDGD	
CCCC(C)(C)C(=O)NNC(=O)COc1ccc(C#N)cc1	845078202	RGYMFPHLMRTPQH-UHFFFAOYSA-N	303.362	1.911	50	20	DDGD	
COc1cc(CC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)ccc1C	843643025	LDRRISHZBRLMEO-WCQYABFASA-N	306.362	1.119	50	20	DDGD	
CCCn1cc(C(=O)NNc2ccc(C)c(C(=O)OC)c2)nn1	857267359	UKGJBABQXJGJIP-UHFFFAOYSA-N	317.349	1.540	50	20	DDGD	
N#CSCCCNC(=O)CCCNC(=O)c1cccnc1	854361795	MTMMKRQOEHVKQA-UHFFFAOYSA-N	306.391	1.312	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)c1ccc2nc[nH]c2n1	758164156	VBEUMWMJSXBQIK-UHFFFAOYSA-N	305.301	1.658	50	20	DDGD	
O=C(NCc1nnnn1CC1CC1)NNc1cc(F)ccc1F	922024636	ALYJBSBROPWGKD-UHFFFAOYSA-N	323.307	1.188	50	20	DDGD	
Cc1c(C(=O)NNc2cc(C(F)(F)F)ccn2)nnn1C	857514168	UHUZSRJSJDKGRP-UHFFFAOYSA-N	300.244	1.294	50	20	DDGD	
C[C@@H](c1ccccc1)[C@](C)(O)C(=O)NNC(=O)CC(F)(F)F	855001131	VPMCIBQGDVZJRP-ZANVPECISA-N	318.295	1.641	50	20	DDGD	
Cc1csc([C@@H](NC(=O)NNC(=O)c2cn[nH]c2)C2CC2)n1	858704516	LBXPKCRUXJIVRM-JTQLQIEISA-N	320.378	1.270	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@]1(C)COc2ccccc2O1	858777452	MVCNCVUOIJSHOO-OAHLLOKOSA-N	307.350	1.347	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	858091992	LJFKDESFTMYUEA-GFCCVEGCSA-N	309.322	1.561	50	20	DDGD	
CC1(CCC(=O)NNC(=O)Cn2cnc3ccccc32)CC1	929257808	WKIBAJGMZKPGDD-UHFFFAOYSA-N	300.362	1.764	50	20	DDGD	
CCc1cc(C(=O)NNC(=S)N[C@@H](C)C2CC2)cc(O)n1	855099612	JTGSPEFVBULCHY-QMMMGPOBSA-N	308.407	1.257	50	20	DDGD	
COC[C@]1(CO)CCN(C[C@@H](CBr)C2CC2)C1	859326359	MGRARPBASJUWJM-CHWSQXEVSA-N	306.244	1.738	50	20	DDGD	
Cn1ncc(C2CC2)c1C(=O)NNC(=O)c1ccccc1F	854180311	KJESPENQNPTNFG-UHFFFAOYSA-N	302.309	1.511	50	20	DDGD	
C#CCCOc1ccc(C=NNC(=O)Cc2cc(C)[nH]n2)cc1	920370993	DLAHKRQHKQKDIA-UHFFFAOYSA-N	310.357	1.813	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CCC[C@@H]3COC[C@@H]32)c1	858707289	PMSFLDJZPDYNDP-MNOVXSKESA-N	309.391	1.522	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCCCC#N)cc1C	753275561	VBNGHVQLMYEQOQ-UHFFFAOYSA-N	304.350	1.316	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@@H]2CCCCN(C)C2)nc1	858765386	AQWFHNADLIVDBP-LBPRGKRZSA-N	307.398	1.448	50	20	DDGD	
CC(C)(C)c1n[nH]cc1C(=O)NNC(=S)NCC1CCC1	855087568	NBDGWMIDKFCPJH-UHFFFAOYSA-N	309.439	1.616	50	20	DDGD	
O=C(CCc1ccncn1)NNC(=O)Cc1c[nH]c2ccccc12	755312226	IXRMOIZHXJPNGI-UHFFFAOYSA-N	323.356	1.281	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2)N(C)C	750015343	WCMPILBQOPAFSC-ZJUUUORDSA-N	309.435	1.584	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)CC(F)(F)F)ccc1Cl	757873708	KLKMITRSZQQJBQ-UHFFFAOYSA-N	305.643	1.925	50	20	DDGD	
COc1ccc(OCC(=O)NN=C2C[C@H](C)N(C3CC3)C2)cc1	753954477	CJSXLHPIHCRIKF-LBPRGKRZSA-N	317.389	1.803	50	20	DDGD	
O=C(NNC(=O)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1)c1cccc(F)n1	852708769	CIXPNFHWBHUHBP-BJDJZHNGSA-N	318.352	1.553	50	20	DDGD	
Cc1ccn2cc(C(=O)NNc3ncccc3[N+](=O)[O-])nc2c1	759294128	ISLHZKRGRAKMHY-UHFFFAOYSA-N	312.289	1.703	50	20	DDGD	
C#CC[C@@H](CCOC)NC(=O)NNC(=O)c1ccccc1C	858097270	GVVZMARPIAVABI-ZDUSSCGKSA-N	303.362	1.367	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)Cn1nc(C)cc1C)c1cccs1	856755637	WNIJQRLYSOVLAN-YFHOEESVSA-N	318.402	1.812	50	20	DDGD	
CCOc1cccc(/C=C/C(=O)NNC(=O)NCCCOC)c1	858782962	FKIZUUQMWMTLQS-CMDGGOBGSA-N	321.377	1.465	50	20	DDGD	
COc1cccc(Nc2ccccc2C(=O)NNC(=O)CO)c1	753442597	JGBGPCBLODQWJE-UHFFFAOYSA-N	315.329	1.192	50	20	DDGD	
COCc1ccccc1NC(=O)NNC(=O)c1ccccn1	755809798	PCZPGNKQZZOXRF-UHFFFAOYSA-N	300.318	1.695	50	20	DDGD	
Cc1ccc(CCCC(=O)NNC(=O)c2c[nH]nc2C)s1	751019551	ZHTXGFWGJISFQK-UHFFFAOYSA-N	306.391	1.872	50	20	DDGD	
O=C(CCC[C@H](O)c1ccccc1)NNC(=O)c1cc[nH]n1	855355421	YKPNHHNTVRFQDX-ZDUSSCGKSA-N	302.334	1.075	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)C2CCCC2)c(N(C)C)n1	757760728	HMYJSICRYZDGDU-UHFFFAOYSA-N	305.382	1.799	50	20	DDGD	
COc1ccc(/C=C\C(=O)NN[C@H](C)C(F)(F)F)cc1O	862315738	FDEQJKIULGHWHN-RZAAKKIOSA-N	304.268	1.986	50	20	DDGD	
C[C@H]1CCCN([C@@H](C)CNS(=O)(=O)CBr)C1	769934438	UKBLTKXQENELSS-UWVGGRQHSA-N	313.261	1.379	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)OCCN1C(=O)CCC1=O	766752807	SKZQVMSVWWSZTN-SNVBAGLBSA-N	320.183	1.488	50	20	DDGD	
C[C@H](NNC(=O)C[C@@H]1OC(=O)c2ccccc21)C(F)(F)F	862304993	VOEXKBNXISKWJC-XVKPBYJWSA-N	302.252	1.860	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H](O)CCc2ccccc2)c1	862478356	GPQCNNXAXDIXMR-ZDUSSCGKSA-N	318.398	1.811	50	20	DDGD	
C=CCC1(C(=O)NNC(=O)Cc2cc(C)[nH]n2)CCCCC1	869017557	NIBXEDSEBUDOKB-UHFFFAOYSA-N	304.394	1.935	50	20	DDGD	
NC(=O)NCCC(=O)NNc1ccc(OC(F)(F)F)cc1	761590621	DTFKRKJFBSPOTC-UHFFFAOYSA-N	306.244	1.087	50	20	DDGD	
C[C@H](NNC(=O)c1ccc(C(F)(F)F)nc1O)C(F)(F)F	862306783	OMARBDWJFNXELV-BYPYZUCNSA-N	317.189	1.991	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNc1ccccc1S(C)(=O)=O	766664216	ZOJQBCUZKXALTA-NSHDSACASA-N	300.380	1.348	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=S)NCc2ccon2)c1	764439627	XEPRQUQSJPRERX-UHFFFAOYSA-N	320.374	1.057	50	20	DDGD	
Cc1cccc(NC(=O)NNC(=O)c2ccc3c(c2)OCO3)n1	765264687	GNKLPGZQBNLVSG-UHFFFAOYSA-N	314.301	1.585	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC[C@@H](OCCO)C1	768293421	ASFPEHAIBXDKIG-GHMZBOCLSA-N	322.243	1.796	50	20	DDGD	
CC(=O)NNC(=O)c1ccccc1OCCOc1ccccc1	863989129	IEUZABVQBSHXHT-UHFFFAOYSA-N	314.341	1.925	50	20	DDGD	
CCOC(=O)C1(C(=O)NNCC(F)(F)C(F)(F)F)CC1	863095368	NYYIIOMJLLCLRY-UHFFFAOYSA-N	304.215	1.148	50	20	DDGD	
COc1cc(C(=O)NNc2ncccc2C(F)(F)F)on1	768712744	SXFYLDRFADMFEV-UHFFFAOYSA-N	302.212	1.854	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1	764895396	ITFUBOOJSUFNCO-JTQLQIEISA-N	320.176	1.767	50	20	DDGD	
CC(C)(C)CC(=O)N1CCC(=NNC(=O)c2cn[nH]c2)CC1	863155906	DIEVTVXWXNXNKW-UHFFFAOYSA-N	305.382	1.554	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(-c2ccccn2)no1	764482435	WRWREONVNMSMHU-UHFFFAOYSA-N	312.289	1.292	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2C=CCCC2)cc1OC	1116252395	GWKAMPNMIUDBEI-LBPRGKRZSA-N	319.361	1.757	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1F)C1(CO)CCOCC1	871269491	DJUWITHCRMYXSD-UHFFFAOYSA-N	302.733	1.711	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](c1ccccc1)c1nccn1C	875027990	LVTHVAFOWGMEEG-LBPRGKRZSA-N	317.349	1.422	50	20	DDGD	
COCc1cc(C=NNC(=O)CCN2CCC(C)CC2)no1	1117102944	QOSMSEWVMXOYCA-UHFFFAOYSA-N	308.382	1.393	50	20	DDGD	
CCOCC1(C(=O)NNC(=S)Nc2ccc(OC)nc2)CC1	874955580	SJZYLIQSLZFOJV-UHFFFAOYSA-N	324.406	1.225	50	20	DDGD	
CO[C@@H](C)CCNC(=O)NNC(=O)c1nc2ccccc2s1	872879720	LBCOVQDIJKKHAU-VIFPVBQESA-N	322.390	1.665	50	20	DDGD	
C#CCOCCC(=O)NNC(=S)Nc1c(C)cccc1CC	873853752	LCQCRLWQXZIJSG-UHFFFAOYSA-N	319.430	1.915	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)NCC2CC=CC2)C[C@@H]1Br	1119185641	IEWSNCOZHKETEA-GWCFXTLKSA-N	315.211	1.359	50	20	DDGD	
CN[C@@H](C)CCNC(=O)NNC(=O)CCCc1ccccc1	1117966774	MJJATFCDOYWRPQ-ZDUSSCGKSA-N	306.410	1.338	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)C(=O)NNc1cc(Cl)ccn1	778446650	ZKFHRKOJOFEGKV-UHFFFAOYSA-N	307.741	1.411	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2ccncn2)c1C	779367937	FUCWXJFRQUHIAS-UHFFFAOYSA-N	301.375	1.725	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCOc2ccc(C(C)C)cc21	779816684	LSOOMOCOYAEWHR-UHFFFAOYSA-N	319.361	1.769	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NOC1CCCCC1	777543907	HLDLIRMUJVAYMU-UHFFFAOYSA-N	321.377	1.798	50	20	DDGD	
O=C(CCc1cncnc1)NNc1cncc(Br)c1	1117755921	WKLQAMWVSZUZFK-UHFFFAOYSA-N	322.166	1.710	50	20	DDGD	
Cc1cnn(-c2c(C(=O)NNC(=O)CC(C)C)c(C)nn2C)c1	777775533	RBWAHLQMZHKFOT-UHFFFAOYSA-N	318.381	1.030	50	20	DDGD	
Cc1ccn(-c2cccc(C(=O)NNC(=O)CC(C)C)c2)n1	1115896670	GSDFCJKLBCEVGE-UHFFFAOYSA-N	300.362	1.988	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)[C@@H]1CCCN1C1CC1	874955567	AZVQFEFIBTUKTA-NSHDSACASA-N	305.407	1.026	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc(F)c1Cl)C(=O)N(C)C	875095701	LMVYFNCEADFZTP-SSDOTTSWSA-N	302.737	1.582	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C)c(OC)c1	771913826	PDXLDWPEIRNHIY-SNVBAGLBSA-N	308.334	1.106	50	20	DDGD	
Cc1nnc2ccc(C(=O)NNc3nccnc3C(C)C)cn12	772849225	SMWFGZROPFZTAS-UHFFFAOYSA-N	311.349	1.708	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1ccc(F)cc1Cl	779821043	LILCTMGYBGIRAD-UHFFFAOYSA-N	301.705	1.675	50	20	DDGD	
COCC1(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)CC1	778532029	JVCFSWNSDFWMHC-JTQLQIEISA-N	310.325	1.167	50	20	DDGD	
Cn1cnnc1COCC(=O)NNc1ccc(Cl)cc1F	885106608	CKFYGHVJMLXITG-UHFFFAOYSA-N	313.720	1.268	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H](C)Oc1cccnc1	772860277	LKAVSWCCEIYXND-LLVKDONJSA-N	301.350	1.906	50	20	DDGD	
O=C1Nc2ccccc2CC[C@@H]1NS(=O)(=O)CCCCl	882334129	DSZBHFBOGMCCOJ-LBPRGKRZSA-N	316.810	1.488	50	20	DDGD	
C[C@H](CBr)COC(=O)[C@H](C)NC(=O)c1ccoc1	770349896	IIRVFBLVDAIGKA-BDAKNGLRSA-N	318.167	1.972	50	20	DDGD	
O=C(NC[C@H]1CCC[C@H]1C1CC1)NNC(=O)C1CCOCC1	883689907	XJYOXXFGZQKHFK-KGLIPLIRSA-N	309.410	1.570	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H]1CCc2c[nH]nc2C1	777774664	WINDXVGYPIVVKC-JTQLQIEISA-N	314.345	1.445	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	887148311	WWPXXGZMUNKMEY-LSKIRQOJSA-N	318.295	1.293	50	20	DDGD	
CC(=NNC(=O)C(F)F)c1ccc(OCC(=O)N(C)C)cc1	782235359	SXUOLEHUGMJERT-UHFFFAOYSA-N	313.304	1.259	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)C(C)(C)C(C)C)cc1	784335582	QWLCXRZUFRAYLL-UHFFFAOYSA-N	320.389	1.981	50	20	DDGD	
CC(C)C1(C)CCN(C(=O)NNC(=O)c2cccnn2)CC1	883852583	QHWXLFIQSIXFRC-UHFFFAOYSA-N	305.382	1.589	50	20	DDGD	
COC(=O)c1ccccc1CC(=O)NNc1cccc(OC)n1	781024469	ZTSWVQFXGCIRHO-UHFFFAOYSA-N	315.329	1.563	50	20	DDGD	
CCC1(CC)[C@@H](NS(=O)(=O)CBr)C[C@@H]1OC	782473129	UOFACAOTLIYVQL-IUCAKERBSA-N	314.245	1.852	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](C)CCN1S(=O)(=O)CCCCCl	780849039	IVSQAEHCAVYZSY-WDEREUQCSA-N	311.831	1.609	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc(OC)cs1	788158680	NGDHAGDBOBDSJF-UHFFFAOYSA-N	316.379	1.307	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@H]1CO[C@H](C)C1	784143702	HEQPJYPVQOSZRF-NXEZZACHSA-N	309.391	1.438	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1ccnc(N2CCCC2)n1	781824817	HQXAHRNQPPQNLG-UHFFFAOYSA-N	319.756	1.277	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCc1cn(C)cn1)c1ccccc1	898629383	IGLVLOJNQULYHQ-AWEZNQCLSA-N	315.377	1.444	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCCOc1cccnc1	787368242	BKEHXBKITHLJKG-GXDHUFHOSA-N	309.325	1.889	50	20	DDGD	
O=C(CC1CSC1)NNC(=O)c1ccc(Cl)cc1O	895805097	RSRYMPCVJOMIFK-UHFFFAOYSA-N	300.767	1.560	50	20	DDGD	
CCOC(=O)C1(CC(=O)NNc2ccc(OC)cn2)CCC1	789853852	QSAUSKWOZZDPEU-UHFFFAOYSA-N	307.350	1.657	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)Cc2ccccc2O1	795432160	GHFZRDAPRRWSAG-GFCCVEGCSA-N	319.405	1.463	50	20	DDGD	
COc1cccc(C=NNC(=O)COc2ccc(C#N)cc2)n1	790143783	VPUPOKZQVSJZLN-UHFFFAOYSA-N	310.313	1.491	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)c2ccc(O)c(O)c2)c(O)c1	794558979	MUNDSJUKDMJURG-UHFFFAOYSA-N	316.313	1.966	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CC1(OC)CCC1	791117511	IZGUVIDIHHAHLT-UHFFFAOYSA-N	306.362	1.344	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)N=c2cc[nH]cc2)cc1F	794749149	ZBQCIBUBUQHMRU-UHFFFAOYSA-N	317.324	1.487	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNc1nc(-c2cccnc2)no1	793478708	NOYHQTXPHABDDF-ONGXEEELSA-N	305.338	1.636	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1nc(C2CCC2)cs1	799446107	GATWJZCOCWTMGU-UHFFFAOYSA-N	318.362	1.667	50	20	DDGD	
CCOc1ncccc1NC(=O)NNC(=O)c1cccc(C)n1	794751063	GVJRGAAGIKZUME-UHFFFAOYSA-N	315.333	1.650	50	20	DDGD	
N#CCC1(CNC(=O)NNC(=O)Cc2ccccc2F)CC1	797563238	POSQRNZKEBGNFG-UHFFFAOYSA-N	304.325	1.392	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)[C@H]1Cc2ccc(F)cc21	798128440	KMIZXNSEUJTRHY-LBPRGKRZSA-N	316.361	1.878	50	20	DDGD	
Cc1ccc2cc(C(=O)NNC(=O)NCC(F)(F)F)[nH]c2c1	798315055	MLDQHNSJYJPUPU-UHFFFAOYSA-N	314.267	1.983	50	20	DDGD	
O=C(NN=Cc1ccnn1-c1ccc(F)cc1)c1cnccn1	794489107	SLMKHMFAHDJGKC-UHFFFAOYSA-N	310.292	1.565	50	20	DDGD	
CCC(CSc1ccccc1[N+](=O)[O-])=NNC(=O)CCO	1319889690	MRQYREVLRXAPEM-UHFFFAOYSA-N	311.363	1.952	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2ccc(O)nn2)c1	1317700047	DHYULQOAWYUNAM-UHFFFAOYSA-N	303.347	1.122	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccn1C)c1ccc(F)cc1F	1318695562	CGVCPGTYIFJWBM-VIFPVBQESA-N	307.300	1.868	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCc2cncc(C)c2)cc1	1319760078	JZMYCMZYBOMBJR-UHFFFAOYSA-N	314.345	1.543	50	20	DDGD	
CC(C)CCO[C@H](C)C(=O)NNc1nncc(N)c1Cl	1324009842	YMCVGDNQDIBFQJ-MRVPVSSYSA-N	301.778	1.607	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2ncc(F)cn2)cn1C1CC1	1326821241	GWAYOLHOQUIEDJ-UHFFFAOYSA-N	303.297	1.178	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)COCC(F)(F)F)cc1	1320382372	VMGQSZQAMAGHIK-UHFFFAOYSA-N	306.240	1.035	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@@H]1COc2ccc(F)cc2C1	1320539407	XXNPWWKTQFMLDZ-VIFPVBQESA-N	322.727	1.964	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccnc(OC2CCC2)c1	1327964846	AWYGXUZVOPYGEM-UHFFFAOYSA-N	303.297	1.699	50	20	DDGD	
Cc1nc(Cl)ccc1NC(=O)C(=O)NNc1ncc(F)cn1	1326720823	OBDXJUXPKFHDKZ-UHFFFAOYSA-N	324.703	1.054	50	20	DDGD	
Nc1cnnc(NNC(=O)NCc2ncccc2F)c1Cl	1324975000	FDSSHRLVBAPGPB-UHFFFAOYSA-N	311.708	1.073	50	20	DDGD	
CC1(C)C[C@H](C(=O)NNc2cc(O)nc3ncccc23)CCO1	1336068827	CRWMLHNDKIJEQD-SNVBAGLBSA-N	316.361	1.984	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)COc1ccc(F)cc1	1335443608	HEGRMXWGKFGTCL-QWHCGFSZSA-N	310.325	1.167	50	20	DDGD	
C[C@H](NC(=O)C(=O)NC[C@]1(C)C[C@H]1Br)C1CCC1	1331356661	IBTGXTXQHWAZQW-PLMOITTCSA-N	317.227	1.581	50	20	DDGD	
Cn1ccnc1C[C@@H]1CCCN(S(=O)(=O)CCCCl)C1	1331909845	ITPDSHCJECAHIB-LBPRGKRZSA-N	319.858	1.633	50	20	DDGD	
CCOCc1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)cc1	1337871565	MIHKGMHZMQDYRR-UHFFFAOYSA-N	321.377	1.355	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)N[C@H]1CC12CCNCC2	1261735849	SUVRXUFDOYNKTG-LBPRGKRZSA-N	322.796	1.426	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(CC)c(CC)c1	1342875367	AKQACJLCFACSKI-NSHDSACASA-N	320.389	1.914	50	20	DDGD	
C[C@H]1CCCN(C(=O)CCNC(=O)NNc2ccc(F)cn2)C1	1343738771	JXWBDIFBUAPQRJ-NSHDSACASA-N	323.372	1.495	50	20	DDGD	
Cc1cccnc1NNC(=O)c1ccc(-c2nn[nH]n2)c(C)n1	1605947845	GAMIQCJKKIHYDZ-UHFFFAOYSA-N	310.321	1.030	50	20	DDGD	
CN(C)[C@H]1CCC[C@@H](C(=O)NNc2cccc(C(=O)O)c2)C1	1606018569	AJQQOCBRNRQJAV-RISCZKNCSA-N	305.378	1.948	50	20	DDGD	
Cc1ccc2[nH]c3c(c2c1)CC(=NNC(=O)NCC(=O)O)CC3	1607828705	VULBBXVAGVJQGE-UHFFFAOYSA-N	314.345	1.705	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CC(C)(C)C)cccc1-c1nn[nH]n1	1605480582	ZUVFDGXNDZBKEZ-UHFFFAOYSA-N	316.365	1.372	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2CC[C@H]2C(=O)O)c(C)c1	1600458587	QLOONZVLGXJEON-WDEREUQCSA-N	321.402	1.732	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)O)o1)c1ccc2c(c1)OCO2	1601552646	CBYBLCRJPSHBDY-UHFFFAOYSA-N	302.242	1.470	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccc3cnccc3n2)nc1	1602383193	WSPVBBANDJACKH-UHFFFAOYSA-N	309.285	1.480	50	20	DDGD	
O=C(NCCc1ccccn1)NNc1cccc(C(=O)O)c1	1601514994	OBTZVKOTLJEVQK-UHFFFAOYSA-N	300.318	1.649	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H](O)c2cccnc2)cc1F	1602382376	KJLJOQBJCICLCZ-GFCCVEGCSA-N	305.265	1.096	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2ccc(C(=O)O)c(F)c2)on1	1606533325	NOOYGSYNQATFIL-UHFFFAOYSA-N	323.236	1.055	50	20	DDGD	
Cc1c(C(=O)NNc2ncccc2C(=O)O)sc2nccn12	1605077020	NADSXBLPZKJFOY-UHFFFAOYSA-N	317.330	1.554	50	20	DDGD	
CCn1ccc(CC(=O)NNc2ccc(F)c(C(=O)O)c2)n1	1605927780	OHOGBAKSTINUPP-UHFFFAOYSA-N	306.297	1.426	50	20	DDGD	
Cc1nc(CC(=O)NNc2cccc(C(=O)O)c2F)cs1	1607952915	OASSDIVOPIEUQH-UHFFFAOYSA-N	309.322	1.975	50	20	DDGD	
CO[C@@](C)(C(=O)NNc1ccc(-c2nn[nH]n2)cc1)C1CC1	1604996579	YVDUQOPZHITBPO-CQSZACIVSA-N	302.338	1.125	50	20	DDGD	
COCC(=O)N1CCC(NC(=O)C2CCC(Cl)CC2)CC1	1548628076	DQUBWXWRCAQMMF-UHFFFAOYSA-N	316.829	1.538	50	20	DDGD	
C/C=C/C(=O)NNC(=S)Nc1cccc(-c2cnn[nH]2)c1	1576162371	ZYLYZTAXEHQCQU-DUXPYHPUSA-N	302.363	1.365	50	20	DDGD	
Cc1cccc(NNC(=O)c2ncc(-c3nn[nH]n3)cc2C)c1	1581245033	ZXIOYDVQSHXHIG-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccc(-c2nn[nH]n2)s1	1588775855	LQULTCICQJIFCP-RKDXNWHRSA-N	320.378	1.193	50	20	DDGD	
CCc1[nH]c(C(=O)NN[C@H](C)C(F)(F)F)c(C)c1C(=O)O	1597383630	FGENSCBFAYOODN-ZCFIWIBFSA-N	307.272	1.769	50	20	DDGD	
COc1cc(O)ncc1C(=O)NNc1cccc(C(=O)O)c1	1599349149	LEPDGWWBDADKQL-UHFFFAOYSA-N	303.274	1.251	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2sccc2-c2nn[nH]n2)n1	1591957778	HPTWNWBAQGYHOO-UHFFFAOYSA-N	316.350	1.092	50	20	DDGD	
C[C@H]1CCCC[C@H]1CC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1590254958	YJFPUSJJTNYBQF-QWRGUYRKSA-N	315.381	1.921	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1cnn(C)c1C	1599376756	SFUHGQXNJYYGJO-UHFFFAOYSA-N	304.306	1.192	50	20	DDGD	
NC(=O)c1ccc(C=NNC(=O)c2ccc(C(=O)O)cc2)cc1	1776099586	OHTUYJCAEUAJSC-UHFFFAOYSA-N	311.297	1.248	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2cc(C)oc2C)c1	17059557	OHKVNLKSQKGOJP-UHFFFAOYSA-N	318.329	1.988	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)COc2ccc(C)cc2)cn1	17113573	MXRDANHLPSXXDQ-UHFFFAOYSA-N	315.329	1.239	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc(-c2nc(C)cs2)cc1	161172035	FFJQFOWLZQWPDB-UHFFFAOYSA-N	318.358	1.224	50	20	DDGD	
CCn1c(NNC(=O)C(C)(C)COC)nc2ccccc2c1=O	162447574	RWGJEYCWWIIFGC-UHFFFAOYSA-N	318.377	1.532	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)s1	151210738	PBKUJLMTKGBDOA-UHFFFAOYSA-N	323.418	1.429	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cnn(-c3ccccc3)n2)cc1	155493261	AQQDZNVAIOWFEB-UHFFFAOYSA-N	304.313	1.896	50	20	DDGD	
C=C(Br)CNC(=O)NNc1ccc(OC)cn1	156999446	XENUBCOVHWCNFD-UHFFFAOYSA-N	301.144	1.625	50	20	DDGD	
NC(=O)NN=C1CCC[C@@H](N2C(=O)c3ccccc3C2=O)C1	745193478	UWSYEBGBNKWJCU-SNVBAGLBSA-N	300.318	1.250	50	20	DDGD	
Cc1nccn1CCCC(=O)NNC(=O)c1ccc(Cl)nc1	101645331	KCDJLGHFVPRUTD-UHFFFAOYSA-N	321.768	1.481	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)cc1	26811520	KPRLAAPEIYUUIV-UHFFFAOYSA-N	319.405	1.699	50	20	DDGD	
COCCCCCNC(=O)NNC(=O)COc1cccc(C)c1	58584743	LMQQJYXIBOZBAH-UHFFFAOYSA-N	323.393	1.521	50	20	DDGD	
CC[C@H](O)[C@H]1CCCCN1[C@@H](C)C(=O)NNC(=O)CC(C)C	114460477	NRUXEMHHOKRTKK-MJBXVCDLSA-N	313.442	1.194	50	20	DDGD	
C=CCN1CCC(NC(=O)NNc2nc(C)cc(C)n2)CC1	171737305	LEFDOYGJFFJEOF-UHFFFAOYSA-N	304.398	1.370	50	20	DDGD	
CS(=O)(=O)CCCC(=O)NNc1nc(-c2ccccc2)no1	108893310	FAYQDVJFUZEFRK-UHFFFAOYSA-N	324.362	1.005	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1Cl	112882572	SGVCOFADQNXQQB-QMMMGPOBSA-N	317.748	1.987	50	20	DDGD	
Cc1ncsc1CNC(=O)NNC(=O)c1cccc(C#N)c1	103870059	DSDGVGQLFDEXDQ-UHFFFAOYSA-N	315.358	1.467	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2ccccc2)Cc2ccccc2C(=O)O1	25462525	CIVVOLQZVBPRKR-GOSISDBHSA-N	324.336	1.619	50	20	DDGD	
CC(C)C(=O)NNC(=O)CC[C@H]1Cc2ccccc2NC1=O	23689192	JHMJUSISYOCYMV-LBPRGKRZSA-N	303.362	1.381	50	20	DDGD	
C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NNC(=O)c1cnn(C)c1	175870113	VNYSZZNRTVGUIB-PWSUYJOCSA-N	307.398	1.579	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2cn3c(C)cccc3n2)nn1	69479003	CHTGSXIDTUBYFL-UHFFFAOYSA-N	311.349	1.567	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](C)Cc1ccc(F)cc1	110759835	DNQNRPPUGAKPTR-VIFPVBQESA-N	304.325	1.497	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)c2cccc(Cl)c2)CCC1	178923141	ARGHFBCNVMAQDG-UHFFFAOYSA-N	324.764	1.834	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CC[C@@H]1CCCCO1	110311400	JGUXPASFYAFXNB-LBPRGKRZSA-N	306.362	1.806	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCc1ccc(Cl)cc1	110761641	YBWLCJDAQQHCEA-UHFFFAOYSA-N	306.753	1.765	50	20	DDGD	
CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)CCCCl)C1	37842814	IUQATUWUSJSQMC-SNVBAGLBSA-N	312.819	1.156	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)cc1F)NNc1ccccc1F	119942079	KCLFECIHFGVXTK-UHFFFAOYSA-N	323.274	1.977	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2C[C@@]23CCc2ccccc23)cn1	173688786	CLNCZMAYOYGUBG-WMLDXEAASA-N	310.357	1.085	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1ccc(F)c(Cl)c1	126946186	BKHQULSEGJGGRD-UHFFFAOYSA-N	306.688	1.902	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	126832398	FJSRYTNPIJYBSG-UHFFFAOYSA-N	324.344	1.368	50	20	DDGD	
Cc1noc(-c2ccc(C(=O)NNC(=O)NC(C)C)cc2)n1	68809159	JYQQXEIJOZMHBM-UHFFFAOYSA-N	303.322	1.397	50	20	DDGD	
C[C@@H]1CN(CCI)CC[S@@](=O)C1	306702704	AJKKPTZVLWQGGD-PRHODGIISA-N	301.193	1.122	50	20	DDGD	
N#Cc1ccc(NNC(=O)CN2CSCC2=O)cc1Cl	182358648	UIVFJFUNBRNBEH-UHFFFAOYSA-N	310.766	1.188	50	20	DDGD	
Cc1cccc(C)c1CCNC(=O)NNC(=O)c1ccc[nH]1	125386837	MPXOQKQWGWDHDX-UHFFFAOYSA-N	300.362	1.818	50	20	DDGD	
COc1ccc(C(=O)CCCCCC(=O)NNC(C)=O)cc1	189763881	VVQYKXIIBCDFEZ-UHFFFAOYSA-N	306.362	1.996	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CN(C)C(C)C)c1C	127417359	XXZWWDZWENZDOK-UHFFFAOYSA-N	308.451	1.961	50	20	DDGD	
COc1cccc(NNC(=O)CCn2c(C)csc2=O)n1	180699760	XPRUJSAPKQVGER-UHFFFAOYSA-N	308.363	1.155	50	20	DDGD	
CNC(=O)NNC(=O)c1cccc(Cn2nc(C)cc2C)c1	126690234	WIJMESHETBAMLL-UHFFFAOYSA-N	301.350	1.122	50	20	DDGD	
CCCc1nnc(S)n1CC(=O)NNc1ccc(C)cc1	123146315	HRJLLNKAWGNQGN-UHFFFAOYSA-N	305.407	1.971	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1cncc(F)c1	127475406	IQTNSLCQYPNNGP-UHFFFAOYSA-N	300.253	1.423	50	20	DDGD	
COC(=O)CSCCC(=O)NNc1c(C)cccc1F	184378129	ZCLYNMYHNVPCHD-UHFFFAOYSA-N	300.355	1.874	50	20	DDGD	
COCCN1CCC(NC(=O)NNc2c(C)cccc2F)CC1	185244534	FXRLIMPEFIDJQK-UHFFFAOYSA-N	324.400	1.871	50	20	DDGD	
CC[C@@H](C)Oc1cc(C(=O)NNC(=O)c2cnn(C)c2)ccn1	180903750	QQSXFLQTYGOASN-SNVBAGLBSA-N	317.349	1.067	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2COCCN2CC2CCC2)nc1	187474652	SDXPPTICLDCZAA-CQSZACIVSA-N	320.393	1.034	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@H](C)N2CCC[C@H](C)C2)o1	84158548	ZDKNJVQABTVSFF-RYUDHWBXSA-N	322.409	1.652	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cnc(-c2ccccc2)nc1C	132561205	GDVRFTBQQJJXIS-UHFFFAOYSA-N	313.361	1.806	50	20	DDGD	
O=C(CC[C@H]1Cc2ccccc2NC1=O)NNC(=O)NC1CC1	138644333	BAWZEXSXGGPBDO-NSHDSACASA-N	316.361	1.070	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1ccc(C#N)c(Cl)c1	48653607	KUOHCQGLZRFUHF-UHFFFAOYSA-N	315.782	1.567	50	20	DDGD	
CCOCCCC(=O)NNC(=O)c1ccc2ccccc2n1	47063249	OVGSNTGIBFPWCQ-UHFFFAOYSA-N	301.346	1.813	50	20	DDGD	
CCOC[C@H](NC(=O)NNC(=O)Cc1cccnc1)C(C)C	191796413	LZJLCKVECTTZPG-ZDUSSCGKSA-N	308.382	1.016	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCCn1cccc1	84457960	HIGSRLHCCGMJHP-UHFFFAOYSA-N	316.361	1.070	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccc[nH]2)cnn1Cc1ccccc1	192621364	JHDOIKKUEINIKW-UHFFFAOYSA-N	323.356	1.643	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCCOC2CCCC2)cc1	195328673	LCRXCYAOPFNUIE-UHFFFAOYSA-N	316.361	1.461	50	20	DDGD	
COc1cccc(Cc2cnc(NC(=O)NNC(C)=O)s2)c1	146437600	WKXJOENTMDHFBK-UHFFFAOYSA-N	320.374	1.915	50	20	DDGD	
COc1ncnc(N(C)C)c1NC(=O)NNc1ccc(F)cc1	92929921	KMZUWHULSBWDSS-UHFFFAOYSA-N	320.328	1.839	50	20	DDGD	
COCCNCC(=O)NN=C(c1ccccc1)c1ccccc1	237206860	LIOCTUNCQDTSQO-UHFFFAOYSA-N	311.385	1.791	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)C)c(C)n1Cc1ccccn1	97285607	YQAAQMCYCBTGHU-UHFFFAOYSA-N	314.389	1.965	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1cccc(O)c1	252602211	FGLIZOKFWWHUDP-UHFFFAOYSA-N	300.314	1.930	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@H](C)CCN(C)C)c1ccccc1	264751482	KCYKGQDQXOPLJQ-HIFRSBDPSA-N	320.437	1.851	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@@H]1COc2cc(F)cc(F)c21	368161153	OMBNTCNOLWTCQD-SNVBAGLBSA-N	322.271	1.371	50	20	DDGD	
COC(=O)CCc1ccc(NC(=O)NNC(=O)C2CC2)cc1	274140885	QVSSGXZQUCDTOU-UHFFFAOYSA-N	305.334	1.355	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2nc(-c3ccccc3)no2)CCO1	271842257	IALKHJLWSNGBKI-JQWIXIFHSA-N	302.334	1.995	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)n1	279754355	DECCTIJRZZIDJA-UKRRQHHQSA-N	319.405	1.992	50	20	DDGD	
Cc1csc([C@H](C)CNS(=O)(=O)CBr)n1	273561930	YKFYXGPMHJSRIM-ZCFIWIBFSA-N	313.242	1.827	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccccc1S(C)(=O)=O	271350319	HKMJABNKOIUTGB-UHFFFAOYSA-N	313.379	1.289	50	20	DDGD	
CCn1nc(NC(=O)NNC(=O)c2ccncc2)cc1C1CC1	273438798	MNTVHWZEWXOLJC-UHFFFAOYSA-N	314.349	1.642	50	20	DDGD	
O=C(COc1ccccc1Br)NNC(=O)C1CC1	270573765	CIWRIONQXZCRKE-UHFFFAOYSA-N	313.151	1.385	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1cc(C)ccc1F	272300071	DBYHEERRIMITDX-JTQLQIEISA-N	313.329	1.338	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@H]1CCN2CCC[C@H]2C1	373933667	NEQDWKQYGYVPIK-KBPBESRZSA-N	302.378	1.257	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1	285765667	MUCGDHPONBMUHQ-CYBMUJFWSA-N	306.322	1.439	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H](C)Oc1cccc(C(C)=O)c1	281156490	HVLMNOPMSBDRJM-LLVKDONJSA-N	321.402	1.338	50	20	DDGD	
C=Cc1ccc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1	284006444	VBKXCIYTJBOSDV-CQSZACIVSA-N	308.403	1.436	50	20	DDGD	
CC(C)CN1CCC(NC(=O)NNc2cccc(F)n2)CC1	286715719	SBDQXDAUSSDVFL-UHFFFAOYSA-N	309.389	1.967	50	20	DDGD	
CC1(CCNC(=O)NNC(=O)COc2ccccc2F)CC1	280452944	RPFZMQSHHQHMKW-UHFFFAOYSA-N	309.341	1.725	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(C)n(C(CC)CC)n1	281408280	ZDMPJZBDMPWPJI-UHFFFAOYSA-N	309.439	1.848	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNc1nc(O)c2ccccc2n1	281338632	BIEHGWVCNVQSBJ-VHSXEESVSA-N	314.345	1.784	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(OC2CCCC2)nc1	292175516	QAGXGKDHEZDLEE-ZDUSSCGKSA-N	319.361	1.343	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NNc1ncccc1F	804214562	KDMLSCLODZSHJG-TVQRCGJNSA-N	303.293	1.892	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CC[C@@H](n2cc(Cl)cn2)C1	290823270	XAFQVZRTNFREKQ-SNVBAGLBSA-N	313.789	1.570	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cccc(F)c2Cl)ncn1	807004258	JAFBSRQJIUAYFH-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCc2c(O)cccc21)[C@@H]1CCCCO1	295250653	ADWWPIFYKLYCNL-HIFRSBDPSA-N	318.373	1.529	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)COCc1ccccn1	805162779	MITMUPVRHAMGBR-UHFFFAOYSA-N	314.345	1.760	50	20	DDGD	
Cn1cnc2c(C(=O)NNc3cccnc3Cl)ccnc21	807033709	ZWPBBEAQEBFEJH-UHFFFAOYSA-N	302.725	1.774	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(F)cc2cccnc12	295365699	JOXIDHSXLWROHY-ZDUSSCGKSA-N	317.320	1.704	50	20	DDGD	
COc1nnccc1NC(=O)NNc1ccc([N+](=O)[O-])cc1C	808902174	IYVSJSMCXAHHSX-UHFFFAOYSA-N	318.293	1.850	50	20	DDGD	
CSC1(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)CC1	802097782	TYKMHCLNAZNZIS-UHFFFAOYSA-N	309.347	1.464	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cnc3ccc(F)cc3c2)O1	294310051	ROEBEKCFJNQVOT-XPTSAGLGSA-N	317.320	1.702	50	20	DDGD	
C#CCO[C@@H](C)C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	294387537	OLQFHWDLXPHUHX-QWRGUYRKSA-N	320.414	1.672	50	20	DDGD	
O=C(NNc1ncccn1)[C@H]1CCCN(c2ccccc2)C1=O	292893638	VPYBFLAEJPFZJS-CYBMUJFWSA-N	311.345	1.363	50	20	DDGD	
CN(NC(=O)[C@H]1Cc2ccccc2C(=O)O1)C(=O)OC(C)(C)C	297760567	TUHAFNFSRJHQKX-GFCCVEGCSA-N	320.345	1.666	50	20	DDGD	
C[C@@H](Oc1cccc(F)c1)C(=O)NNC(=O)[C@@H]1CCCCO1	295283665	CVNPAOIBPSJNMN-MFKMUULPSA-N	310.325	1.310	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)CCc1ccc(OC)cc1	299109878	SQAZDKLRJRWTHD-UONOGXRCSA-N	306.362	1.200	50	20	DDGD	
CC(C)[C@H]1CCCN1CC(=O)NNC(=O)c1ccc(F)cc1	298121003	MWEJENTVVJWPEW-CQSZACIVSA-N	307.369	1.707	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNC(=O)CCCc1ccccc1	806773185	GVOGBKKJIBOFKW-UHFFFAOYSA-N	313.357	1.378	50	20	DDGD	
O=C(NNS(=O)(=O)c1cccc2c1OCO2)c1ccccc1	800831500	GWJYKZONERYCJB-UHFFFAOYSA-N	320.326	1.039	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)[C@@H]2CCCO2)cc(OC)c1C	296978749	GZBPTIDLZYELGH-NSHDSACASA-N	323.349	1.344	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNc1ncc(F)cc1F	296925364	LCPAZLOBEVLNOV-LLVKDONJSA-N	312.320	1.594	50	20	DDGD	
COc1ccc(COCC(=O)NNc2cccc(F)n2)cc1	804772653	LURNBKAAYUPKEJ-UHFFFAOYSA-N	305.309	1.889	50	20	DDGD	
CCC[C@@H](CC)NC(=O)NNC(=O)COc1ccccc1OC	299374955	NJAXCYNYPGXYPM-GFCCVEGCSA-N	323.393	1.983	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)COc1cc(C)ccc1C)C(C)C	297867680	GBTSHUJUCPNXBV-AWEZNQCLSA-N	317.389	1.670	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2ccnc3c2nnn3C)c1	801177404	RLCPQOOKYZRUDN-UHFFFAOYSA-N	316.296	1.268	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C#N)cc1)C1CCN(C)CC1	814722068	IVWCGOONTFXVJO-UHFFFAOYSA-N	314.389	1.771	50	20	DDGD	
CCOC(=O)C[C@H]1CCCCC1=NNC(=O)c1ccnnc1	817340611	RAEZSZWIQVGZAA-LLVKDONJSA-N	304.350	1.706	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)c1c(C)nc2ccccn12)C1CC1	812453035	PBRZACGDRAFKCN-MRXNPFEDSA-N	316.361	1.219	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@H](O)c1ccc(Cl)cc1	813439771	BZWYYDIIVQWMOH-CQSZACIVSA-N	319.748	1.159	50	20	DDGD	
O=C(CCc1cncs1)NNC(=O)CCc1ccccc1O	814409422	IFLWAPOBCBMIFN-UHFFFAOYSA-N	319.386	1.562	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNc1nnc(-c2ccccn2)s1	812556608	RBQHEDJUYHNIEG-UWVGGRQHSA-N	321.406	1.962	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cc(F)c[nH]1	814736827	SVQRIEWUYHQOTO-UHFFFAOYSA-N	300.293	1.639	50	20	DDGD	
CC(CN1C(=O)CCC1=O)=NNC(=O)Nc1ccc(Cl)cc1	815004293	DDIIQDZTPAEVFU-UHFFFAOYSA-N	322.752	1.986	50	20	DDGD	
Cc1nc(N2CCOCC2)sc1C(=O)NN=C[C@@H]1CCOC1	812434606	UKZLHMCPEGTADA-NSHDSACASA-N	324.406	1.040	50	20	DDGD	
CN(NC(=O)c1cn2c(Br)cnc2s1)C1CC1	819653859	ZJTONRVJZTXVAW-UHFFFAOYSA-N	315.196	1.897	50	20	DDGD	
CCOc1c(Cl)cccc1CC(=O)NNc1cnnn1C	816771706	XLKFNOIWOFNPHT-UHFFFAOYSA-N	309.757	1.553	50	20	DDGD	
CC(=NNC(=O)CCSc1ccc(F)cc1)c1cnnn1C	814753815	ARUZYTZUNMPIPA-UHFFFAOYSA-N	321.381	1.977	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)Cn1cc(Cl)cn1	813558764	QNGWXHVGDJBYDM-UHFFFAOYSA-N	307.741	1.698	50	20	DDGD	
COCCN1[C@H]2CC[C@H]1CC(=NNC(=O)Cc1ccncc1)C2	814862701	QOARDECIYVBSKJ-HOTGVXAUSA-N	316.405	1.370	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cccc(-c2ncco2)c1	495444380	YINGXKUWVAXGLX-UHFFFAOYSA-N	318.289	1.057	50	20	DDGD	
CCn1nccc1C=NNC(=O)NCCNC(=O)OC(C)(C)C	493963064	IQPBCLBSUFNEIL-UHFFFAOYSA-N	324.385	1.061	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1ccccc1C(=O)O	494540344	SWOGTPZMUYCYOA-UHFFFAOYSA-N	321.333	1.360	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@H]2CO[C@H](C)C2)cc1F	828439576	HUZBSPPQUFEOPI-PSASIEDQSA-N	311.313	1.416	50	20	DDGD	
CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)NNC(=O)OCC	495666979	CPOKKVDQNSLFSK-CQSZACIVSA-N	317.386	1.847	50	20	DDGD	
CC(C)[C@H](C(=O)NN(C)C(N)=O)[C@H](C)NC(=O)OC(C)(C)C	497083385	MQHMGBBNFNRKBP-UWVGGRQHSA-N	316.402	1.214	50	20	DDGD	
O=C(NN=Cc1ccccc1-c1nn[nH]n1)NC1CCCCC1	826444507	JRSGOXXIRDVGFL-UHFFFAOYSA-N	313.365	1.833	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCc2ccc(F)cc2F)nn1	490697089	PXJAABJRFAOOFD-ONNFQVAWSA-N	303.272	1.317	50	20	DDGD	
CCN(CCO)NC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1	823860489	UTQXAOHNWVDRHO-QGZVFWFLSA-N	319.405	1.027	50	20	DDGD	
O=C(NNc1ccccn1)c1c(F)cc(-c2nn[nH]n2)cc1F	826449223	ICZGLFGVWWAWGE-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
CC(C)(Oc1cccc(Cl)c1)C(=O)N1CC[C@H](B(O)O)C1	585065744	JWZIXYCXTURUCH-JTQLQIEISA-N	311.574	1.573	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNc2nccnc2OC)cc1	493775803	ITMXWVZITXOCBM-YVMONPNESA-N	300.318	1.650	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(CN2CCCC2)cc1	729344470	DALMDNBVEBRUAY-UHFFFAOYSA-N	304.394	1.636	50	20	DDGD	
CCCCO[C@@H]1C[C@H](NCC(=O)NNC(=O)C2CC2)C1(C)C	829678005	VSXMWWSOPCIYHG-QWHCGFSZSA-N	311.426	1.117	50	20	DDGD	
CCOc1cc(CN2CC[C@@H](B(O)O)C2)cc(Cl)c1OC	585076883	PFGGKLUAZNZFHZ-LLVKDONJSA-N	313.590	1.796	50	20	DDGD	
CC(C)(C)n1nc(C(=O)N2CC[C@H](B(O)O)C2)cc1C1CC1	585077736	UGPZJYITEBMKOT-NSHDSACASA-N	305.187	1.204	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N(C)C[C@H]1CCCCO1	731500050	YVXJKQOVQZLRGH-GFCCVEGCSA-N	321.377	1.551	50	20	DDGD	
Cc1cc(C(F)(F)C(=O)NN(C)C[C@@H](C)O)cnc1Cl	822556559	GXNZMECBQQWBLE-MRVPVSSYSA-N	307.728	1.479	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NN=C1CCCOCC1	494467444	FVNFPWPEAWUZPH-UHFFFAOYSA-N	313.398	1.964	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H]1Cc2ccccc2[C@H]1O	908420646	MGPOGEOKUOOEDO-CHWSQXEVSA-N	317.838	1.829	50	20	DDGD	
CC(C)(C)OC(=O)NCC1(C(=O)NNC(=O)C2CCC2)CC1	495388141	PVDXGKJFEDLVQU-UHFFFAOYSA-N	311.382	1.239	50	20	DDGD	
Cc1ccc(NNC(=O)CN2CCC(=O)NC2=O)c(Cl)c1	836936679	PODDVVVOEXUFBF-UHFFFAOYSA-N	310.741	1.033	50	20	DDGD	
CN(C)C(=O)c1cccc(CNC(=O)NNc2cccnn2)c1	736379017	PRUQVEFBMVAZJB-UHFFFAOYSA-N	314.349	1.005	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cc2c(C)n[nH]c2C)cc1F	837051453	IPLLTVVQKRLEMI-UHFFFAOYSA-N	320.324	1.638	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)[C@@H](C)NC(=O)OC(C)(C)C	495951572	RFOPZTJXUYVWRY-SECBINFHSA-N	309.370	1.439	50	20	DDGD	
CC1CC(NC(=O)NNC(=O)Nc2ccc3c(c2)OCO3)C1	836349125	ODOPANBQAVAJDS-UHFFFAOYSA-N	306.322	1.550	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNC(=O)[C@H]1CCCCO1	833246462	KVSAYLHJFBZIDB-CYBMUJFWSA-N	309.366	1.058	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NC[C@]1(C)CCC(=O)N1	837223126	JURCBGGSQMXJBB-SKDRFNHKSA-N	305.216	1.581	50	20	DDGD	
CCSCC[C@H](C)N(C)C(=O)c1cc(B(O)O)ccc1F	584953853	HEYJRGWEIQOTTF-JTQLQIEISA-N	313.203	1.109	50	20	DDGD	
COc1ccnc(C(=O)NNC(=O)C(C)(C)c2ccccc2)c1	734773449	HEEGETBNMGVROZ-UHFFFAOYSA-N	313.357	1.829	50	20	DDGD	
O=C(/C=C/c1cccs1)NNC(=O)COc1ccccc1O	730781831	YUUGSTUZGLYSIH-BQYQJAHWSA-N	318.354	1.693	50	20	DDGD	
CCC(=O)N1CCCN(C(=O)[C@]2(C)C[C@H]2Br)CC1	906351277	PDXQTJZHEBOCHS-ZWNOBZJWSA-N	317.227	1.631	50	20	DDGD	
O=C(NNc1c(F)cccc1F)N[C@H]1C[C@H]2CCCCN2C1=O	838746606	YUEVEGAHXUKXLI-SKDRFNHKSA-N	324.331	1.744	50	20	DDGD	
C#CCCCC(=O)NN=C1C(=O)N(C)c2cc(N(C)C)ccc21	901325767	XLJOQFAFSGRXJV-UHFFFAOYSA-N	312.373	1.353	50	20	DDGD	
CO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2O)C12CCC2	838764994	HWCRWWLIMHKRAN-CHWSQXEVSA-N	319.361	1.294	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H](C)Cc2ccccc2F)nc1O	738506889	BPGFMONKFVSOPU-MRVPVSSYSA-N	305.313	1.347	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)CN2CCCC2=O)cc1OC	916359005	DNGNACIRNRFEBK-UHFFFAOYSA-N	319.361	1.166	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2cccc(F)n2)C[C@H]1Br	912733647	WHDLSLKXVJYYBR-RDDDGLTNSA-N	316.130	1.155	50	20	DDGD	
O=C(Cc1n[nH]c2ccccc12)NNc1ccc(C(=O)O)cn1	833765641	UJKSHBKIGVLTMR-UHFFFAOYSA-N	311.301	1.342	50	20	DDGD	
COCCOCc1ccc(C=NNC(=O)[C@H]2CCCCO2)cc1	834986521	PBJHOYHYNLTNTQ-MRXNPFEDSA-N	320.389	1.869	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1oc2ccccc2c1CN(C)C	910168174	QHYMVGUXQGBBKX-NSHDSACASA-N	305.378	1.452	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2cc(F)c(F)c(F)c2)CCC(=O)N1	838735754	VNUUQSLRWUUCMO-ZDUSSCGKSA-N	316.283	1.399	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H]2CCN(C)[C@@H]2C)cc1C	832303627	LBACRZOOVCGTSX-IUODEOHRSA-N	319.405	1.955	50	20	DDGD	
O=C(NN=Cc1ccc(-n2cncn2)c(F)c1)NC1CCCC1	743531392	UWJYXYXRGFLBGG-UHFFFAOYSA-N	316.340	1.982	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNc1ccc(C(=O)O)cn1	833603500	OHCCGLGYQIUJEZ-OUAUKWLOSA-N	306.366	1.484	50	20	DDGD	
O=C(NNc1cccc(F)c1)c1ccc(N2CCOCC2)nc1	748090274	JVXLYTGMWBLSBY-UHFFFAOYSA-N	316.336	1.814	50	20	DDGD	
O=C(O)Nc1cccc(C(=O)NNC(=O)c2ccccc2O)c1	740034501	UQKGPWSBRNKIMF-UHFFFAOYSA-N	315.285	1.557	50	20	DDGD	
C[C@@H](C(=O)NNc1ccccc1S(C)(=O)=O)c1ccco1	743368645	QVJVJQJFNJZPMP-SNVBAGLBSA-N	308.359	1.930	50	20	DDGD	
O=C(CC1(O)CCCCC1)NNC(=O)c1ccc2c(c1)OCO2	746092449	QEEFGMXVBGAQJY-UHFFFAOYSA-N	320.345	1.262	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1ccccc1OC	740762613	ZFGKNAZFRLUZID-UHFFFAOYSA-N	305.378	1.840	50	20	DDGD	
COc1ccc(NNC(=O)NCC[C@@H]2CCCN(C)C2)nc1	841589195	HIIUSDGIJONGOW-LBPRGKRZSA-N	307.398	1.448	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COC[C@H](C)c2ccccc2)n[nH]1	845903888	VKHKNNHLKXULNY-NSHDSACASA-N	316.361	1.299	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H](CCCN)c1ccccc1	841998118	RDHCEUXZWODSSR-AWEZNQCLSA-N	306.410	1.843	50	20	DDGD	
O=C(NN=Cc1ccc([N+](=O)[O-])o1)C1=S=C2CCCC2=C1	916315385	PQJAVYFRCWSPQT-UHFFFAOYSA-N	305.315	1.840	50	20	DDGD	
CC[C@H](C)c1nc(C)c(CC(=O)NNC(=O)C(C)(C)O)c(C)n1	847857168	DSHCPABRPTWRBL-VIFPVBQESA-N	322.409	1.068	50	20	DDGD	
Cc1ccc2cc(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)ccc2n1	843658638	FIXKVVSIRHGDAU-FZMZJTMJSA-N	313.357	1.729	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1cccc(OCC(=O)O)c1	842552596	BIXFEUOWEJMXHY-BXUZGUMPSA-N	320.345	1.415	50	20	DDGD	
CC(C)(Cc1ccccc1)C(=O)NNC(=O)CN1CCCC1=O	913730989	QFCQPOYRJNHHJT-UHFFFAOYSA-N	317.389	1.025	50	20	DDGD	
CC(=NNC(=O)COc1cc(C)ccc1C)c1ccn(C)n1	841606930	ONYSFGOIXZTDOO-UHFFFAOYSA-N	300.362	1.956	50	20	DDGD	
CCCNC(=O)NNC(=O)Cc1ccn(-c2ccc(F)cc2)n1	742053854	MOAYUHOSXXNUKX-UHFFFAOYSA-N	319.340	1.294	50	20	DDGD	
CC(=O)c1ccc(CC(=O)NNC(=O)c2ccccc2O)cc1	916736651	JDBOHVMYQPLTKR-UHFFFAOYSA-N	312.325	1.599	50	20	DDGD	
Cn1c(NNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)nc2ccccc2c1=O	845511476	PMSQBQIDZUNJHH-MBNYWOFBSA-N	324.384	1.979	50	20	DDGD	
COc1cc(C=NNC(=O)CC(F)(F)F)cc(OC)c1O	917550774	NOPKFQQHXJUTJR-UHFFFAOYSA-N	306.240	1.812	50	20	DDGD	
C[C@@H](CN1CCCCCC1)C(=O)NNC(=S)NCC1CC1	849253564	PPLOBRABKIKTKA-LBPRGKRZSA-N	312.483	1.404	50	20	DDGD	
O=C(NNC(=O)C1CCC1)NC1CCN(C2CCCC2)CC1	748983665	UNAYAEDAMSVWSP-UHFFFAOYSA-N	308.426	1.524	50	20	DDGD	
CCCCNC(=O)NN=C1CCN(Cc2ccccc2)C1=O	743435884	NPVRPAUNLFTBSP-UHFFFAOYSA-N	302.378	1.874	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCC2(N)CCCCC2)c1	841922745	OQUAXZKXWZXDCS-UHFFFAOYSA-N	315.377	1.164	50	20	DDGD	
C/C(=C\c1ccco1)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	846783801	DCFAMOBSUGILKE-ZKQHCESOSA-N	312.391	1.175	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1c(O)cccc1OC	740763575	LLUGVYWSPSJOQT-UHFFFAOYSA-N	307.350	1.156	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1C	911502492	IDNDTZNZCZOHII-SMDDNHRTSA-N	304.346	1.384	50	20	DDGD	
C[C@H](OCc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843663617	YZBCSSVSYSXLBN-MJVIPROJSA-N	324.352	1.303	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C2(OC)CCOCC2)cc1	846375848	MPDREJHOGGUWDQ-UHFFFAOYSA-N	322.361	1.041	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)[C@H]1CCn2ccnc2C1	749262767	NEXZDMACBJMQSE-JTQLQIEISA-N	324.344	1.238	50	20	DDGD	
C[C@H](C#N)C(=O)NNC(=O)NCc1cccc(C(F)(F)F)c1	746173254	SDDFTCKYMWZPSE-MRVPVSSYSA-N	314.267	1.695	50	20	DDGD	
C=CCN(CC(=O)NNC(=O)C(C)(C)C)Cc1cccs1	744385049	JUKIPSTXCXFAGA-UHFFFAOYSA-N	309.435	1.930	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2nccc(OC)n2)CCCC1	843766023	WBTCILTUXSSWMH-UHFFFAOYSA-N	308.338	1.052	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1cc(C)c(F)c(C)c1	741459331	ATVZXMOQYLQMOF-UHFFFAOYSA-N	305.353	1.905	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=C1CC[C@@H](C)C[C@@H]1n1cncn1	842562107	VDGIKZUWBLVOIR-CZXHOFHRSA-N	305.382	1.536	50	20	DDGD	
O=C(CCSc1ccc(F)cc1)NNC(=O)c1ncccn1	743290172	CNQWBTGTKNWCNN-UHFFFAOYSA-N	320.349	1.559	50	20	DDGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1cnnn1C	751130057	RPVZTHFZWPTILB-GFCCVEGCSA-N	323.356	1.886	50	20	DDGD	
Cn1ccc2ccc(NC(=O)NNC(=O)c3cnccn3)cc21	756759556	KWRSGWCSLSODAC-UHFFFAOYSA-N	310.317	1.435	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCC1CC=CC1	858717641	GNVDGZODGQGATR-UHFFFAOYSA-N	303.362	1.534	50	20	DDGD	
CC(F)(F)CCC(=O)NNC(=O)CNC(=O)c1cccs1	751206256	IPVBQZQMLUSIFU-UHFFFAOYSA-N	319.333	1.061	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@H](C(=O)NNC(=O)C2CCCC2)C1	920343208	HLTHPNQIQUJQRF-ZDUSSCGKSA-N	323.437	1.609	50	20	DDGD	
CNC(=S)N(C)NC(=O)CC[C@H]1Cc2ccccc2NC1=O	854927113	VFDWNXKJWYWCKD-NSHDSACASA-N	320.418	1.045	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cnc(C(F)(F)F)c(C#N)c1	854921876	QEODQSZKAIAUIX-UHFFFAOYSA-N	317.296	1.053	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCOCCN2)cc1	854692024	GMIDPQSAUDOLTK-SDNWHVSQSA-N	301.346	1.356	50	20	DDGD	
CCc1ccc(NC(=O)NNC(=O)Cc2cc[nH]n2)cc1C	757848575	PCFBLSDWVBRTLU-UHFFFAOYSA-N	301.350	1.676	50	20	DDGD	
C[C@H](C[C@H]1CCOC1)NC(=O)NNC(=O)c1ccccc1F	759765382	AXFDHTSKZMZUOY-GHMZBOCLSA-N	309.341	1.585	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2cccc(Cl)n2)[C@@H]2CCCC[C@@H]2N1	854602358	CHKSUVBJQFQFFG-DCAQKATOSA-N	322.796	1.873	50	20	DDGD	
COCCCNC(=O)NN=Cc1c(C)nc2sc(C)cn12	920829649	JKEAQGXDJOPUBB-UHFFFAOYSA-N	309.395	1.682	50	20	DDGD	
CC(C)(C)n1cnc(C(=O)NC[C@@]2(C)C[C@H]2Br)n1	857387290	GVFVHEUCZAAODF-PRHODGIISA-N	315.215	1.936	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2cnc3ncccn23)cc1	755601673	QJBDWMZJOSEVHJ-UHFFFAOYSA-N	322.328	1.127	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2)c1cccc(Cl)n1	857324339	FQLPMPAJVNNYEH-YIZRAAEISA-N	307.737	1.111	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CCOC[C@@H](C)C2)cc(C#N)n1C	754231817	FIZILZULTYGDKD-FCGPPKDQSA-N	312.373	1.607	50	20	DDGD	
O=C(NNC(=O)c1cc[nH]n1)Nc1nc2c(s1)CCCCC2	854235276	NYDRZAJMXNFAQC-UHFFFAOYSA-N	320.378	1.602	50	20	DDGD	
C[C@]1(CN[C@@H]2CCOC[C@@H]2[C@H]2CCCN2)C[C@H]1Br	857253200	IRMQZZGHWUPQIM-DHGKCCLASA-N	317.271	1.907	50	20	DDGD	
CCc1csc(NC(=O)NNC(=O)Cc2ccncc2)n1	756813681	GMSXHWYFYZYNPG-UHFFFAOYSA-N	305.363	1.496	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)NCC[C@H](C)N)cc1	857114272	MECSFMGRWRWJMC-NSHDSACASA-N	310.423	1.155	50	20	DDGD	
O=C(NCCOC1CCC1)NNc1ccc([N+](=O)[O-])cc1F	853797862	GILGXGAEJIOHBM-UHFFFAOYSA-N	312.301	1.929	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2cccc(F)c2O)cc1	755599407	AVKAUCIBYNSORM-UHFFFAOYSA-N	315.304	1.929	50	20	DDGD	
N#C[C@H]1CCCN(CC(=O)NNC(=O)c2ccccc2Cl)C1	932155908	QWDGGUCKVXKDDT-LLVKDONJSA-N	320.780	1.337	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2F)CC1=O	855621607	YZHNQELCDYTDFK-MRVPVSSYSA-N	310.285	1.045	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1c[nH]c2cccnc12)C1CC1	855097075	IUNUOPLJSCWOPD-QMMMGPOBSA-N	303.391	1.470	50	20	DDGD	
CCn1[nH]c(C)nc1=NC(=O)NNc1ccc(F)cc1Cl	931756952	LLQZRSVITBELQT-UHFFFAOYSA-N	312.736	1.969	50	20	DDGD	
Cc1nc(-c2ccc(C(=O)NN[C@@H](C)C(F)(F)F)cc2)n[nH]1	862313625	LCRGQLJSIHFOOM-ZETCQYMHSA-N	313.283	1.965	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1cc(N2CCN(C)CC2)ccn1	864350217	FLTZVFDDYCJEOJ-OUKQBFOZSA-N	315.377	1.216	50	20	DDGD	
Cc1csc(C(=O)NNS(=O)(=O)C[C@@H]2CCCOC2)c1	863414546	ZVNJMDQYGFJZCU-SNVBAGLBSA-N	318.420	1.047	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC[C@H](N2CC=CC2)C1	866876409	IPQBPEUGZHJLMR-LBPRGKRZSA-N	306.859	1.527	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cc(-c2ccccn2)no1	760912710	YKMGYJKPCJGHIZ-UHFFFAOYSA-N	300.253	1.423	50	20	DDGD	
CCOc1cccc(C=NNC(=O)Cc2cc(C)[nH]n2)c1O	767396251	NHWBOFLOCFYAEM-UHFFFAOYSA-N	302.334	1.515	50	20	DDGD	
COc1cccc([S@](=O)CC(=O)NN[C@@H](C)C(F)(F)F)c1	862323216	QYCIJWYNOMFEDH-HXNGOWOSSA-N	324.324	1.374	50	20	DDGD	
Cc1ccc(C(=O)NN[C@@H](C)C(F)(F)F)cc1S(C)(=O)=O	862309274	JRNBOQVCMIDUSR-QMMMGPOBSA-N	324.324	1.584	50	20	DDGD	
C[C@H](CCc1ccc(F)cc1)C(=O)NNC(=O)c1cnn(C)c1	865936420	KSMGZJVLEMFWEZ-LLVKDONJSA-N	318.352	1.589	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H]2CCSC2)c(C)c1	762441697	OMGRPQDRALHBPN-LBPRGKRZSA-N	307.419	1.616	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1ccc(OC)c(OC)c1	872402588	LFHRVJDVXDTTPW-UHFFFAOYSA-N	310.350	1.207	50	20	DDGD	
CCC[C@H](O)CC(=O)NNC(=O)c1nc2ccccc2s1	874914350	TWWRMTZRJFCCSY-VIFPVBQESA-N	307.375	1.608	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H](CCC)OC)c1	874952562	YDODXSOJOIVIJE-CYBMUJFWSA-N	305.403	1.801	50	20	DDGD	
CC[C@H](C(=O)NNC(=S)Nc1cc(C)ccc1F)N(C)C	874946564	NPAWRYVUAVKVAM-GFCCVEGCSA-N	312.414	1.792	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)NCCc1cccs1	775820197	QBVOSMHABDEKCQ-UHFFFAOYSA-N	307.379	1.151	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNC(=O)NCc1ccco1	772404921	GJWHRQDKACKFON-VIFPVBQESA-N	319.365	1.644	50	20	DDGD	
Cc1cc(=NNC(=O)NCc2ncccc2N(C)C)cc[nH]1	875593603	JCMSWEAGJUULHF-UHFFFAOYSA-N	300.366	1.099	50	20	DDGD	
Cc1cc(C(=O)O)ccc1S(=O)(=O)N1CC=C(C#N)CC1	871935124	RJPTWZVTOQFUJQ-UHFFFAOYSA-N	306.343	1.538	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H](O)Cc2ccccc2Cl)n1	771987074	CUJRXDKCSHKWNX-CYBMUJFWSA-N	320.780	1.794	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1ccn(C(F)F)n1	776222425	LKVGRSGAZJDCFZ-UHFFFAOYSA-N	309.276	1.151	50	20	DDGD	
CN(C)c1ccc(F)cc1NC(=O)C(=O)NNC(=O)C(C)(C)C	873791712	NADYWJNYRGILKN-UHFFFAOYSA-N	324.356	1.024	50	20	DDGD	
C=C/C=C/CCNC(=O)NNC(=O)c1ccc(OC)cc1OC	883480113	SNEAZRVUAVKCPR-AATRIKPKSA-N	319.361	1.780	50	20	DDGD	
O=S(=O)(CCCCl)NCCN1CCc2sccc2C1	881807113	HHFNOXKUYRZRNX-UHFFFAOYSA-N	322.883	1.655	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1ccc2nc(C(F)(F)F)cn2c1	771450864	MIGSVGDZTOFUDD-UHFFFAOYSA-N	321.262	1.927	50	20	DDGD	
C[C@@H]1COCC1=NNC(=O)c1nn(-c2ccccc2)cc1O	884401382	OCRGUWANMGAQDU-SNVBAGLBSA-N	300.318	1.330	50	20	DDGD	
CCn1[nH]c(C)nc1=NC(=O)NC[C@]1(C)C[C@H]1Br	888547965	XMBCRNCPOGQIIA-KCJUWKMLSA-N	316.203	1.323	50	20	DDGD	
CC(C)C1CCC(NC(=O)NNC(=O)c2cccnn2)CC1	883518794	ZSIYKNOMNPWKEP-UHFFFAOYSA-N	305.382	1.635	50	20	DDGD	
CC(CCc1n[nH]c2ccccc12)=NNC(=O)N1CCOCC1	782224783	RDSASGXHBMGWBQ-UHFFFAOYSA-N	315.377	1.913	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)[C@H]1CCSC1	788562482	LKQNEWHCVQOHKZ-QMMMGPOBSA-N	307.404	1.796	50	20	DDGD	
Cc1cc(C)cc(N2CC[C@H](C(=O)NN=c3cc[nH]cc3)C2=O)c1	780761208	KUPSMVNBPNZFLB-MRXNPFEDSA-N	324.384	1.617	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc1	1124151471	FUQRYWZNTNHFRR-FPMFFAJLSA-N	304.346	1.271	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1nc(C2CCC2)cs1	789732438	PYFRAVAAIWALGI-UHFFFAOYSA-N	310.379	1.153	50	20	DDGD	
CN(C)[C@H]1CCC[C@H](NC(=O)NNc2ncncc2Cl)C1	781009876	PRDVLZBFLMIYDV-UWVGGRQHSA-N	312.805	1.629	50	20	DDGD	
CC[C@@H]1C[C@@H](CC(=O)NNC(=S)N[C@@H](C)C2CC2)CCO1	781697632	OTEDHJSWKDXITE-GMXVVIOVSA-N	313.467	1.876	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)OC[C@H](C)O)c1C	787562767	JGPSLYYNERGOKG-IYVNWDGISA-N	306.362	1.582	50	20	DDGD	
COc1ccc(C=NNC(=O)Nc2ccc(C(=O)O)cc2)cn1	780227078	GEJZOZHAXVYMCI-UHFFFAOYSA-N	314.301	1.944	50	20	DDGD	
Cc1cccnc1C=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1	781584915	CHOIEEGVFPWWEY-SOUVJXGZSA-N	318.421	1.585	50	20	DDGD	
CCCCS(=O)(=O)/C(C#N)=C/c1ccc(C(=O)OC)cn1	899368582	JXBVFTCZBPGWRD-MDWZMJQESA-N	308.359	1.948	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc3c(c2)OCCO3)nc1	781510485	MDFNUFPZFGOCCS-UHFFFAOYSA-N	301.302	1.618	50	20	DDGD	
COc1cccc(C[C@H](O)C(=O)NNc2ccc(C#N)cc2)c1	785419277	BKKJRKFWLRLDJK-INIZCTEOSA-N	311.341	1.614	50	20	DDGD	
O=C(NCc1cnn(CC2CCC2)c1)NNc1cccnn1	896962011	AAKYQRDQICSMHY-UHFFFAOYSA-N	301.354	1.300	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1cc(C2CC2)no1	799411311	MMFHSIMHSHVAOU-UHFFFAOYSA-N	320.374	1.800	50	20	DDGD	
C[S@@](=O)c1ccc(CC(=O)NNc2cccc(C#N)c2)cc1	797947980	ZZFSRLULRACNNQ-JOCHJYFZSA-N	313.382	1.981	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1cc(C2CC2)no1	799625080	LTCUGYRGUQXJAX-UHFFFAOYSA-N	312.289	1.754	50	20	DDGD	
Cc1cccc(C(=O)NNS(=O)(=O)c2ccc(C)s2)n1	794601850	XSHUUKUAIPUWDI-UHFFFAOYSA-N	311.388	1.383	50	20	DDGD	
COc1nc2ccccc2cc1/C=C(\C#N)S(=O)(=O)N(C)C	794957358	AXDVMFHYGSLPIZ-UKTHLTGXSA-N	317.370	1.999	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(-c2ccccn2)no1	798304780	KWWHWYKCPFCXEV-UHFFFAOYSA-N	303.347	1.032	50	20	DDGD	
Cc1ccc(F)cc1NC(=O)C(=O)NNc1ncccc1C	792375381	JIJODVSPEQKYLP-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
Cc1cccnc1NNC(=O)CNC(=O)c1cc(F)cc(F)c1	791215371	ROQMGWYFLRYNRA-UHFFFAOYSA-N	320.299	1.541	50	20	DDGD	
Cc1cc2c(cc1S(=O)(=O)N1CC=C(C#N)CC1)OCO2	795158659	KOUPQRMDXAYBMG-UHFFFAOYSA-N	306.343	1.568	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1c[nH]nc1-c1ccoc1	798316357	WSKRMZCOTREVKB-UHFFFAOYSA-N	317.227	1.176	50	20	DDGD	
C[C@@]1(CCC(=O)NNC(=O)c2ccccc2Cl)CCC(=O)N1	1325271101	LSQRMGVGSZCZCT-HNNXBMFYSA-N	323.780	1.550	50	20	DDGD	
CC[C@@H]1CCN(C(=O)C(=O)NC[C@]2(C)C[C@H]2Br)C1	1328548718	VENSHBPFCWHRHH-BREBYQMCSA-N	317.227	1.535	50	20	DDGD	
O=C(CO[C@H]1CCOC1)NNc1ccc(OC(F)(F)F)cc1	1329162770	ZKTSNHHMWOKYRA-NSHDSACASA-N	320.267	1.834	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1cnc(C2CC2)[nH]1	1320487842	WNXXLPRVFJURIE-UHFFFAOYSA-N	302.309	1.430	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H]2CCCC[C@H]2N(C)C)n1	1320047511	KONVCEIZGWMMTL-NWDGAFQWSA-N	307.398	1.589	50	20	DDGD	
Cc1cccc(CN2CCCC[C@H]2C(=O)NN(C)[C@@H](C)CO)c1	1336011744	YXAORPZQIYWISH-RDJZCZTQSA-N	319.449	1.693	50	20	DDGD	
C[C@H](C#N)Oc1ccc(C=NNC(=O)C2CCOCC2)cc1	1331361021	OJBVWAOOHCKORE-GFCCVEGCSA-N	301.346	1.854	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N[C@H]2CC=CCC2)C[C@H]1Br	1331076666	GIYWWVOIXVBHCM-OPQQBVKSSA-N	315.211	1.501	50	20	DDGD	
C[N+](C)(C)CC(=O)NN=Cc1cccc(OC(F)(F)F)c1	1256369911	JLQVXFVQQWANIU-UHFFFAOYSA-O	304.292	1.742	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1cnc(C2CC2)nc1	1338968466	YBQXUASDZZZOKN-UHFFFAOYSA-N	312.333	1.139	50	20	DDGD	
CCc1ccc(C(=O)NN=Cc2c(C)nn(CCO)c2C)cc1	1337811532	GABTWXJNZXKHAB-UHFFFAOYSA-N	314.389	1.819	50	20	DDGD	
Cc1nc([C@H](C)NC(=O)NC[C@]2(C)C[C@H]2Br)no1	1331336884	FXROOOPRDKKXAP-QXHCQDJKSA-N	317.187	1.912	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ncncc2Cl)c(C)n1	1338582084	GILRYTVVULERSA-UHFFFAOYSA-N	320.740	1.224	50	20	DDGD	
CN1CC[C@@H]1CNC(=O)NNC(=O)c1ccc2ccccc2c1	1263144502	MXEOOKBZZXMVBU-OAHLLOKOSA-N	312.373	1.488	50	20	DDGD	
O=C(NNC(=O)c1cnn2c1NCCC2)c1cccc(Cl)c1	1346249594	HYEYKATZNSQIGB-UHFFFAOYSA-N	319.752	1.427	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)c1cccnn1)O[C@H](C)C2	1353080537	OLZJEYSBBILTFR-SNVBAGLBSA-N	312.329	1.573	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC1CCN(c2ccncc2)CC1	1520975123	OURZRBMUHJJYOE-OUKQBFOZSA-N	300.362	1.611	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCc1cc(C(=O)O)co1	1603612810	JENSYABWZXFZSQ-UHFFFAOYSA-N	309.771	1.662	50	20	DDGD	
CSSCCNS(=O)(=O)Cc1ccccc1C(=O)O	1607400444	CYCOHGBPHDEDRX-UHFFFAOYSA-N	321.445	1.815	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc(C(=O)O)cc2F)c(C2CC2)n1	1600932148	LDMKAIUUOJFCCK-UHFFFAOYSA-N	318.308	1.892	50	20	DDGD	
O=C(O)COCC(=O)NNc1ccc(Br)c(F)c1	1602078178	FJOPSHIRSMJYKS-UHFFFAOYSA-N	321.102	1.133	50	20	DDGD	
CCCN1CC[C@@H](CNC(=O)NNc2cccc(C(=O)O)c2)C1	1609978050	DBUDFIPDWDAXDO-LBPRGKRZSA-N	320.393	1.743	50	20	DDGD	
O=C(O)[C@H](CNS(=O)(=O)CCCCl)Cc1ccccc1	1608539210	XVAFHJVNELEOEE-LBPRGKRZSA-N	319.810	1.478	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C/c1ccc(O[C@@H](C)C(=O)O)cc1	1605719051	SGPXUVXUBAXDEM-XNFYSYIQSA-N	309.343	1.838	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C(=O)NN=Cc1cscn1	1549308516	HYNFXMXRLULTOM-NWDGAFQWSA-N	319.390	1.495	50	20	DDGD	
C[C@H]1CN(C)C[C@H](C(=O)NN=C2CCOC3(CCCCC3)C2)O1	1552921562	FIMVNTZGTGHPJR-DZGCQCFKSA-N	323.437	1.691	50	20	DDGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)C[C@H](C)N)c1C	1579512447	VNPWUTAWXYVKDF-VIFPVBQESA-N	300.366	1.336	50	20	DDGD	
Cc1cccc(NNC(=O)c2cn(C)nc2[C@@H]2CCCNC2)n1	1574165174	FBQPEMYAUKOMGI-GFCCVEGCSA-N	314.393	1.347	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1C[C@H](C)CCN1)c1ccccc1	1576938319	HJXYHOCFPWZTLS-SNPRPXQTSA-N	303.406	1.716	50	20	DDGD	
CC(C)[C@@H](C(=O)NN=c1sc2ccccc2n1C)[C@H](C)N	1575413943	NUCKFEJSFCIPMU-GXFFZTMASA-N	306.435	1.791	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC[C@H]1C(=O)O)Nc1ccc(Cl)cc1	1594783302	YYHVVIQGOBQPRN-VHSXEESVSA-N	311.725	1.604	50	20	DDGD	
COc1ccccc1NNC(=O)c1cc(-c2nn[nH]n2)oc1C	1591651810	OYOTWBGTZSDCNV-UHFFFAOYSA-N	314.305	1.534	50	20	DDGD	
O=C(O)Cn1ccc(NC(=O)NNc2ccccc2Cl)n1	1595151767	PNMQVIDIIJTQAH-UHFFFAOYSA-N	309.713	1.770	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNc1ccc(CC(=O)O)cc1	1598841475	YDCZVPWYNROXRS-JTQLQIEISA-N	308.334	1.346	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)[C@@H](C)O1	1590183069	AKOLQSDNFCTQDH-LNLATYFQSA-N	302.338	1.123	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)COc2ccccc2-c2nn[nH]n2)[C@@H]1C	1590181238	NCJIZKRMHUXAHW-NXEZZACHSA-N	314.349	1.394	50	20	DDGD	
CC(C)(Cc1ccc(CNS(=O)(=O)CCl)cc1)C(=O)O	1776296361	XWVMXIVIGJHDQW-UHFFFAOYSA-N	319.810	1.956	50	20	DDGD	
Cc1cnc(C=NNC(=O)Nc2ccc(C(=O)O)cc2)n1C	1776045189	BKBQSFKNDPVHSU-UHFFFAOYSA-N	301.306	1.582	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H](C)Oc2ccc(Cl)cc2)nc1O	11548171	FKTMBBFTNRGZCN-QMMMGPOBSA-N	323.740	1.450	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2c(C)nc3ccccn23)c1	14841861	KLLQMIGOHIFLIT-UHFFFAOYSA-N	324.340	1.726	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)CS(=O)(=O)C2CCCC2)c1	150847462	UMZBTYUUTFZJEC-UHFFFAOYSA-N	314.382	1.935	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2cccc(-n3ccnn3)c2)c1	161065487	SOPHMDBZYOQLQA-UHFFFAOYSA-N	304.313	1.896	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@H]1[C@H]2CCO[C@@H]2C12CCC2	161450564	QKRWKHORZKERSA-RDBSUJKOSA-N	315.373	1.588	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCc2ccncc2C)o1	164096724	HKJYSXHBGHJYQM-UHFFFAOYSA-N	302.334	1.478	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2Cl)[nH]n1	151199570	VKPYGGDBKYPCBE-UHFFFAOYSA-N	323.696	1.355	50	20	DDGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CC#N	153480885	UXGAMNWMBMLKNH-UHFFFAOYSA-N	300.343	1.793	50	20	DDGD	
C[C@@H](NC(=O)CC1CCCCC1)C(=O)NNC(=O)C(C)(C)C	153833262	HGHICDGDZQKCQR-LLVKDONJSA-N	311.426	1.655	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)Nc2cccc(F)c2)n1	156253816	RCZJWDKHHUTMBV-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)cc1	155417431	BZKMAQFYHUJQAU-AWEZNQCLSA-N	312.373	1.650	50	20	DDGD	
O=C1C[C@H]2CC[C@@H](CN1)N2C[C@H](CBr)C1CC1	859157058	YBXRWODUUGFKKX-TUAOUCFPSA-N	301.228	1.760	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)CN1CCSC1=O	862285911	XPWPCJZGZLADET-UHFFFAOYSA-N	323.374	1.455	50	20	DDGD	
COc1c(C(=O)NNC(C)=O)sc(C)c1Br	174983981	AFXQNZIVQWWXHU-UHFFFAOYSA-N	307.169	1.609	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cccc(-c2ccoc2)c1	179390483	RTDBUZKDWIYSHI-UHFFFAOYSA-N	315.329	1.633	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Cc2noc3ccccc23)c1	103402826	YLDUMGKWZVJZDB-UHFFFAOYSA-N	320.308	1.703	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCCOc2ccccc2)cn1	117683559	LNLQMFCIMDYCOL-UHFFFAOYSA-N	302.334	1.040	50	20	DDGD	
CC(=O)N1CCC[C@H]1C(=O)NNc1nc(-c2ccccc2)no1	110853527	HOXOFXNLOVTOSW-LBPRGKRZSA-N	315.333	1.191	50	20	DDGD	
CCCC(=O)N1CCCC[C@H]1C(=O)NNc1nc(C)cc(C)n1	106735625	CHLIWERGWNAXKV-ZDUSSCGKSA-N	319.409	1.718	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCc2ccccc2O)c(C)o1	26992016	YWIWLHPKYDWQIS-UHFFFAOYSA-N	302.330	1.996	50	20	DDGD	
CN1CCC(C(=O)NNC(=O)c2cc3ccccc3o2)CC1	177721877	BDCQSICNIUWPEQ-UHFFFAOYSA-N	301.346	1.536	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C\c1csc(N(CC)C(C)=O)n1	58391504	GKIYXXCGTNIUJZ-XFFZJAGNSA-N	304.375	1.725	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCCCOC1CCCC1	103514986	NPVSJXHFTHRZEW-UHFFFAOYSA-N	320.393	1.304	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=O)NCc2ccco2)s1	50612489	BEMLWRVKCGOIJK-UHFFFAOYSA-N	308.363	1.751	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C1CC1	54871211	IZYLTHLGLSTANF-GDAGCXPBSA-N	302.330	1.330	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1c(C)nn(C(C)(C)C)c1C	64882959	AGMFXRPFSUPDOL-UHFFFAOYSA-N	309.414	1.999	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1	178957442	URFHUZXEIXGIHN-UQRISPGASA-N	305.378	1.195	50	20	DDGD	
CCO[C@H]1C[C@H](NC(=O)NNc2cccnn2)C12CCCC2	174238046	CXNPZBAGPYJJIB-RYUDHWBXSA-N	305.382	1.841	50	20	DDGD	
N#Cc1ccc(CSCC(=O)NNC(=O)NC2CC2)cc1	64427615	FPVGYOQIGJYPHY-UHFFFAOYSA-N	304.375	1.284	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCc2ccco2)c2ccccc21	302908363	GQWRIRSXFWZDOE-UHFFFAOYSA-N	312.329	1.916	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)c2cn(C)nc2C)c1	113461233	LGSVHUXEYFNUOO-UHFFFAOYSA-N	321.381	1.807	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCc2cccs2)n1	68456633	KBLIDBZDLFMGCZ-UHFFFAOYSA-N	304.375	1.638	50	20	DDGD	
Cc1ccc(C)c(C(=O)CCC(=O)NNC(=O)NC2CC2)c1	64428848	BGQFJWHUKLGCMC-UHFFFAOYSA-N	303.362	1.759	50	20	DDGD	
COCc1ccccc1C(=O)NNC(=O)Cc1ccccc1F	66775605	UXRSDUQVHXKCPE-UHFFFAOYSA-N	316.332	1.976	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])o2)cc1	69483499	AOKSVVBCZASASY-UHFFFAOYSA-N	303.274	1.825	50	20	DDGD	
O=C(CCn1cc([N+](=O)[O-])cn1)NNc1cccc([N+](=O)[O-])c1	178847043	AOHFMIYFTISYAX-UHFFFAOYSA-N	320.265	1.233	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)CCCc1ccccc1)C1CC1	119227240	FVMRRXWHCSNYNL-HNNXBMFYSA-N	319.405	1.765	50	20	DDGD	
CCc1nc(-c2ccc(C(=O)NNC(=O)c3ccc[nH]3)cc2)n[nH]1	119869517	KWIJUKWDMUZSPP-UHFFFAOYSA-N	324.344	1.437	50	20	DDGD	
C=C1c2ccccc2C(=O)N1CC(=O)NNC(=O)NCCCC	64426780	IWCPVBDKCMQVNB-UHFFFAOYSA-N	316.361	1.244	50	20	DDGD	
Cc1ccnc(NNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)c1	176769816	SRNPSOFKZCLJRR-UHFFFAOYSA-N	312.289	1.931	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC2CCCC2)ccc1[N+](=O)[O-]	65920269	YIOBFMBCWQMMDQ-UHFFFAOYSA-N	306.322	1.790	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2ccc(F)cc2F)n1	181520639	QKTPIEGRIXDJIW-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
CN(C)CC(=O)NNC(=O)C1(c2ccc(F)cc2F)CCC1	181887230	ZPGRZVICCPJMBG-UHFFFAOYSA-N	311.332	1.096	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)Cc2cc(C)on2)c1	72795871	KKULKCXKSSELGK-UHFFFAOYSA-N	317.345	1.369	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1c([N+](=O)[O-])c(C)nn1C	184380657	VKGOCRGNFRLOBT-UHFFFAOYSA-N	307.285	1.841	50	20	DDGD	
CC(C)(C)C(=O)Cn1cc(C(=O)NNc2ccnc(F)c2)nn1	182406450	KKEUWTXOYPCNJT-UHFFFAOYSA-N	320.328	1.184	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNC(=O)COCc1ccccc1	78192210	YKQHWEADQXEWQE-CYBMUJFWSA-N	308.378	1.556	50	20	DDGD	
C[S@@](=O)c1ccc(NC(=O)NNC(=O)c2ccc[nH]2)cc1F	186170505	QAMXJUVJUXFOMI-JOCHJYFZSA-N	324.337	1.358	50	20	DDGD	
Cn1cc(NC(=O)C(=O)NNc2cccc(Cl)c2)ccc1=O	120210830	NHUVPSSEMRCMIS-UHFFFAOYSA-N	320.736	1.121	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN(C(C)C)C2CC2)n1	74237669	RAKYNSSXKQEUKF-UHFFFAOYSA-N	310.423	1.014	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCC[C@H]2CCO)cc1	188473248	UUJBUXAVOZSTKD-GXTWGEPZSA-N	316.361	1.053	50	20	DDGD	
C[C@@H](NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)C1CCCCC1	74502681	INUWXWGMRYGJEC-RISCZKNCSA-N	317.455	1.336	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCOC[C@]12CCOC2	195184303	KNWTVRKGRLVLTI-CRPZLVSXSA-N	314.341	1.317	50	20	DDGD	
Cc1cccc(C)c1NC(=O)C(=O)NNC(=O)c1ccncc1	130740845	PPBSRKAYDSFRIB-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@H]1CCCc2c(O)cccc21	190024632	PVXACMAZBRAKMJ-ZDUSSCGKSA-N	313.357	1.612	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C(=O)Nc1ccc(F)cc1F	190310557	YBDPZTFGILNYEB-UHFFFAOYSA-N	310.235	1.581	50	20	DDGD	
CCCCN(CC)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	131794172	HRSQMTZTSQMBIK-UHFFFAOYSA-N	322.365	1.478	50	20	DDGD	
CCOC(=O)N[C@H](C(=O)NNc1cccnc1Cl)C(C)C	85686382	RGBVOFRXZUBPRQ-JTQLQIEISA-N	314.773	1.949	50	20	DDGD	
CCn1c(NNC(=O)C2CCOCC2)nc2ccccc2c1=O	198653972	RHBHOPVOGAUTKN-UHFFFAOYSA-N	316.361	1.286	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)NCC2CCCC2)cc1	47014981	UHDAELVPFSDNPI-UHFFFAOYSA-N	321.377	1.595	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNc2nc3ccccn3n2)c1	191913031	QPILJFAKOSGWLO-UHFFFAOYSA-N	313.317	1.503	50	20	DDGD	
CN(C)[C@H](C(=O)NNC(=O)c1cccn1C)c1ccccc1	195458347	POEMVQAMYVNYDT-AWEZNQCLSA-N	300.362	1.089	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)c2ccc[nH]2)cc1C	97132546	JRESVYHXYSEOOS-UHFFFAOYSA-N	301.346	1.862	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H](C)N1CCCCCC1	91822044	SFUMFAYNPZTPIZ-LLVKDONJSA-N	318.512	1.109	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(C[C@H](C)NC(=O)NNC(=O)C(C)(C)C)C1	249782406	QLOLEEAVFFJEAF-XQQFMLRXSA-N	312.458	1.729	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C2CCSCC2)c1	264920485	RMGITIFITNPEQG-UHFFFAOYSA-N	322.430	1.973	50	20	DDGD	
CCC[C@@](C)(O)CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	266530382	KEKOJADYOUPZMP-OEXZBZRSSA-N	314.389	1.779	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C	276119862	MYYWQBLASCRQGM-SNVBAGLBSA-N	324.381	1.008	50	20	DDGD	
CC1CCC(OCC(=O)NNC(=O)Cc2ccncc2)CC1	279827650	IRRVNNRAUWOPGZ-UHFFFAOYSA-N	305.378	1.367	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(Cl)c(O)c(OCC)c1	274371056	DJGMVOHCKWCTTK-UHFFFAOYSA-N	315.757	1.750	50	20	DDGD	
CCCOC(=O)c1ccc(NC(=O)NN(C)C(=O)NCC)cc1	274388343	HWNZKRMMLGYFTL-UHFFFAOYSA-N	322.365	1.951	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)N[C@H]1CCCOCC1	271953212	KQRIIOAIZMQUTM-AWEZNQCLSA-N	321.377	1.103	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(Br)cn1C	272973989	LBHMGLAOLWEFRA-UHFFFAOYSA-N	303.160	1.094	50	20	DDGD	
CNC(=O)C1CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)CC1	279751247	QCJPVMMGEVIGIK-UVTDQMKNSA-N	313.357	1.284	50	20	DDGD	
C=CCCOCCNC(=O)NNC(=O)CCOc1ccccc1	270428106	ONWRQWQQVNPKOS-UHFFFAOYSA-N	321.377	1.379	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@@H]1CC12CCNCC2	270678387	DTKLEDMAMRUKHH-VIFPVBQESA-N	303.391	1.524	50	20	DDGD	
CN(C)c1cc(C(=O)NNC(=O)C2CCC2)c2ccccc2n1	273538535	SQVVNGAPDYJCDS-UHFFFAOYSA-N	312.373	1.862	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-]	272656490	GGFYUKWUUUWGKO-UHFFFAOYSA-N	300.702	1.554	50	20	DDGD	
COc1ccnc(NNC(=O)c2csc([C@H]3CCCO3)n2)n1	270052791	RQHNWQYKQAZLCZ-SECBINFHSA-N	321.362	1.550	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2ccc3c(c2)N=S=N3)CC1	287982272	NLKFUFXVEOLERW-UHFFFAOYSA-N	320.378	1.015	50	20	DDGD	
C[C@](O)(CC(=O)NNC(=O)Nc1cc(F)cc(F)c1)C1CC1	283816699	YMFGIMNQAVOXIF-AWEZNQCLSA-N	313.304	1.669	50	20	DDGD	
CC(=O)N1CCC[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2C)C1	288802371	TYDJLGRLNWREDJ-GFCCVEGCSA-N	320.349	1.605	50	20	DDGD	
CC(=O)N1CCCN(C(=O)[C@H](Br)C(C)(C)C)CC1	373349649	WFOYPDWZUGPAOE-NSHDSACASA-N	319.243	1.877	50	20	DDGD	
CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NNc2ccccn2)C1	370348493	LURNESLHJUOEFF-LLVKDONJSA-N	322.365	1.161	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCOC(C)(C)C2)n1	280302543	OGWOPTUUMSFNMW-LLVKDONJSA-N	306.366	1.292	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc(C(N)=O)c(Cl)n1	289277717	XLPVGUSXLOHUAK-UHFFFAOYSA-N	312.757	1.031	50	20	DDGD	
CN(CCCNC(=O)NNc1ncncc1F)CC(F)(F)F	293013648	OXEARGDGXSDOAE-UHFFFAOYSA-N	324.282	1.126	50	20	DDGD	
O=C(NCCn1cccc1)NNc1ccc2c(=O)[nH]ccc2c1	806934936	SAOWVGGIVSOXJF-UHFFFAOYSA-N	311.345	1.656	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CNC(=O)c1cccc(Cl)c1	299252881	PXIKLAXAMHDEAG-UHFFFAOYSA-N	311.769	1.263	50	20	DDGD	
Cn1cncc1CC(=O)NNC(=O)c1ccc(Cl)cc1F	806995594	XLRLVLKPKBNKKA-UHFFFAOYSA-N	310.716	1.216	50	20	DDGD	
Cc1nc(CCCC(=O)NNC(=O)[C@@H]2CCCCO2)cs1	295343852	IDQSAIZWMLZBCK-LBPRGKRZSA-N	311.407	1.491	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)c2cnc[nH]2)c1	802114241	WETYHWGJCUAVQP-UHFFFAOYSA-N	309.713	1.538	50	20	DDGD	
O=C(NNC(=O)C(F)F)Nc1ccc(Br)cc1	801994474	QWTQMRQOUYLSNZ-UHFFFAOYSA-N	308.082	1.867	50	20	DDGD	
CCOC(=O)NCCC(=O)NNC(=O)c1ccc(Cl)cc1	298405035	IDUMOZKROHOUHW-UHFFFAOYSA-N	313.741	1.237	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)C(C)(C)O)c1	802115416	PWDXXVQYSLCNKJ-UHFFFAOYSA-N	301.730	1.272	50	20	DDGD	
Cc1nc2cccc(C(=O)NNC(=O)N=c3cc[nH]cc3)c2[nH]1	802030929	YXCXXTMYKRYYJR-UHFFFAOYSA-N	310.317	1.155	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)N=c2cc[nH]cc2)c1	802031049	DWRMSRIJCOCACE-UHFFFAOYSA-N	314.345	1.298	50	20	DDGD	
C=C(C)COc1cccc(NC(=O)NNC(=O)[C@@H]2CCCO2)c1	292992417	SBEVQQHBGUPHNE-AWEZNQCLSA-N	319.361	1.973	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2cncc(-n3ccnn3)c2)c1	801930688	VESMKSHHCZQQFO-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
CSSCCNC(=O)N1CCN(C[C@H]2CCCO2)CC1	807228181	QEOMNJRHFSTSQA-GFCCVEGCSA-N	319.496	1.504	50	20	DDGD	
Cc1cnc(Cl)c(NC(=O)C(=O)NNc2cccc(F)n2)c1	807392457	OZGVJVSOEBCVCO-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H](C)CC(N)=O)cc1C	298275300	OAIZGPGKQJNSEJ-JTQLQIEISA-N	307.350	1.126	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1sccc1C#N	815619693	VGYCNBJIWAGXNY-UHFFFAOYSA-N	301.331	1.405	50	20	DDGD	
CN(C/C=C\C(=O)NNc1ncc(F)cn1)CC(F)(F)F	815881729	XKSYBDIZBRINSN-IHWYPQMZSA-N	307.251	1.109	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2c(C)nn(C)c2N)c1	814716657	OYEIYQPSCKJNEJ-UHFFFAOYSA-N	301.350	1.148	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1F)c1cc(CO)on1	812224039	XXYDHKFATWERBB-UHFFFAOYSA-N	307.281	1.225	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)Cc2ccc(F)cc2)n1C	811634758	ALKSEKLSUVZQIW-UHFFFAOYSA-N	303.341	1.318	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NC[C@@H]1CCCNC1=O	819451332	CRZFKXGLFULLMR-IUCAKERBSA-N	305.216	1.438	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cc(C(F)(F)F)cc(Cl)n1	810333942	PYUGESIKRORCPK-UHFFFAOYSA-N	324.690	1.076	50	20	DDGD	
CNc1nccc(C(=O)NNc2nccnc2Cl)c1[N+](=O)[O-]	816926289	QRHBOXWZTPJZJD-UHFFFAOYSA-N	323.700	1.232	50	20	DDGD	
O=C(O)C1CCC(=NNC(=O)[C@@H]2Cc3ccccc3O2)CC1	814826273	SJUHCSWIQJFPLV-SBNLOKMTSA-N	302.330	1.737	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NN=Cc1ccn(C)n1	814917294	SEOVJJYUJJHEMT-JTQLQIEISA-N	306.753	1.991	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCCO2)c1csnn1	814788787	KPLPZILOJGPCSS-UHFFFAOYSA-N	304.331	1.463	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@@H]1CCN(c2ccccc2)C1	822781438	AXYLELMUTAPVMR-CYBMUJFWSA-N	302.378	1.253	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)/C=C/c2ccc3[nH]ccc3c2)cn1	492270923	FOCPJWZUGZYMEY-HWKANZROSA-N	309.329	1.376	50	20	DDGD	
C#C[C@@H](CC)NC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	491418707	RSGWEOIXTGFEAJ-ZDUSSCGKSA-N	311.345	1.228	50	20	DDGD	
CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NNC(=O)C(C)C	728018943	YHIGGDIQWCTPME-RUYJGKKWSA-N	313.423	1.048	50	20	DDGD	
COc1ccnc(NNC(=O)C[C@@]2(C)CC2(Cl)Cl)n1	822457025	GJXNINSGOIRLCW-JTQLQIEISA-N	305.165	1.902	50	20	DDGD	
CSC[C@H]1CCCN(C(=O)/C(C#N)=C\c2cnn(C)c2)C1	491127159	AKUJRNYVNUAUKO-JVXNRYDGSA-N	304.419	1.929	50	20	DDGD	
O=S(=O)(CCl)NCc1nccn1CCc1ccccc1	820795999	XCHYNODCUNJCIM-UHFFFAOYSA-N	313.810	1.742	50	20	DDGD	
CCN(CCO)NC(=O)c1cccc(Br)c1C	823865348	OBPMUIMEIHWCMK-UHFFFAOYSA-N	301.184	1.717	50	20	DDGD	
CC(C)CO[C@H](C)C(=O)NNC(=O)Cn1ccc2ccccc21	729454567	VQHCRBDZSPRKKV-CYBMUJFWSA-N	317.389	1.850	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cnc(F)c(Cl)c1	820937176	SOQXXSSOFLDMII-VIFPVBQESA-N	301.705	1.204	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1	495865880	LUVMAILSQYYOGQ-UHFFFAOYSA-N	313.379	1.342	50	20	DDGD	
Cc1cccc(Cl)c1C(=O)NNC(=O)C(=O)N1CCCC1	822896711	VIZSQIPPVOQOBP-UHFFFAOYSA-N	309.753	1.032	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@H]1CCCC1(F)F	826913366	RRJBWRZDTMPTGY-IVZWLZJFSA-N	305.325	1.177	50	20	DDGD	
CCNC(=O)NNC(=O)C[C@H](c1ccccc1)c1ncc[nH]1	823798912	ITMAPSCAXRZKQO-GFCCVEGCSA-N	301.350	1.282	50	20	DDGD	
N#CCOc1ccccc1C(=O)NNC(=O)c1cccc(C#N)c1	728825799	QPSMLMCJUOLJRK-UHFFFAOYSA-N	320.308	1.535	50	20	DDGD	
CO[C@H](CS(=O)(=O)NN(C)C(=O)OC(C)(C)C)C(C)C	827690686	VNMHFKQAFZXWCS-SNVBAGLBSA-N	310.416	1.359	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C/c1ccc(-c2nn[nH]n2)s1	821065763	MOMZEOUGTZNXDG-VQHVLOKHSA-N	302.363	1.751	50	20	DDGD	
Cc1cc(O[C@H](C)C(=O)N2CC[C@H](B(O)O)C2)ccc1C(C)C	585068961	JRLOSDPTKLKYIZ-KGLIPLIRSA-N	319.210	1.961	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)CNC(=O)OC(C)(C)C)ncn1	495843599	VUXOTLBYZXVYAZ-SECBINFHSA-N	309.370	1.389	50	20	DDGD	
C[C@@H](Oc1cccc2ccccc12)C(=O)N1CC[C@@H](B(O)O)C1	585063687	FMPKYSGDXJOOFM-TZMCWYRMSA-N	313.162	1.682	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccn2cc(C(F)(F)F)nc2c1	823906873	DYPTXHRNTAQQQZ-MRVPVSSYSA-N	316.283	1.311	50	20	DDGD	
COCCn1cc(/C=C(\C#N)C(=O)NCCCOC(C)C)cn1	490662745	DNUZIPPEYBMVTR-OQLLNIDSSA-N	320.393	1.368	50	20	DDGD	
NC(=O)[C@@H]1C[C@@H]1C(=O)NNc1cc(C(F)(F)F)ccc1F	901199565	PHGRKJDVXDGYFG-RQJHMYQMSA-N	305.231	1.409	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@@H]1C(=O)NCC1(C)C	827611145	JSEDNVGOTGUBKR-HTQZYQBOSA-N	305.216	1.437	50	20	DDGD	
CNC(=O)NNC(=O)C1(C(=O)OC(C)(C)C)CCCCCC1	823425379	RVMXFTREXBUDLN-UHFFFAOYSA-N	313.398	1.629	50	20	DDGD	
COc1ccc(C(=O)O)cc1C=NNC(=O)[C@@H]1CCO[C@H]1C	901259846	TVCKCVTZWXCSDU-JOYOIKCWSA-N	306.318	1.269	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)n1	496253305	HXTJUNLVGYDXFU-NSHDSACASA-N	323.397	1.792	50	20	DDGD	
CCOC[C@@H]1CCCCN1C(=O)/C(C#N)=C\c1cnn(C)c1	491013297	TZCRBWXMYBSTPQ-OWTLUSIOSA-N	302.378	1.745	50	20	DDGD	
CC(C)(C)N1C[C@H](C(=O)NNc2ncccc2Cl)CC1=O	734246604	JIDXMWGFVJXGIC-SECBINFHSA-N	310.785	1.825	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C[C@H]2CCOC2)c1	739676256	QPXAEZVRAOPWBW-CYBMUJFWSA-N	306.362	1.256	50	20	DDGD	
COc1ccc2c(c1F)NC(=O)C2=NNC(=O)NCC1CC1	834945103	GBJLDTRLXVTMQP-UHFFFAOYSA-N	306.297	1.200	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CNCC(F)(F)F)c(F)c1	837209978	UQUNPMWQCQFDMB-UHFFFAOYSA-N	323.246	1.207	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NC[C@H](C)SC)cc1	836370628	AKSGMTGNCHKUEI-VIFPVBQESA-N	312.395	1.782	50	20	DDGD	
CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1cncs1	735451052	NPHWFONWZVLQIS-UHFFFAOYSA-N	313.346	1.477	50	20	DDGD	
O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H](B(O)O)C3)o2)cc1	585077905	ZCZDDQZSPOFHEE-LBPRGKRZSA-N	316.122	1.904	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNC(=O)Cc1c[nH]c2ccccc12	731864938	FOEVMUJASBSILD-HNNXBMFYSA-N	314.389	1.342	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cc(F)ccc1N1CCOCC1	730768010	WUZMMZURKQGUAC-UHFFFAOYSA-N	309.341	1.079	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CN2CCCCC2=O)ccc1F	837034760	SXHZCOKRTHMBKF-UHFFFAOYSA-N	323.324	1.068	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccccc2Cl)CC1)c1ncon1	832825592	ARBNFFROUGORGT-UHFFFAOYSA-N	320.736	1.507	50	20	DDGD	
CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)NNc2ccccc2)C1	734279269	YPQHBALOKMYQSE-OCCSQVGLSA-N	304.394	1.960	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H](C)CC(=O)O)c1C	832971249	SMYTXBDFLBZEEH-SECBINFHSA-N	309.391	1.732	50	20	DDGD	
O=C(N[C@@H]1CCC[C@@H]2CCCC[C@@H]21)c1cc(B(O)O)ccc1F	584992291	JLTXXIHRPOGBFF-DETPVDSQSA-N	319.185	1.594	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1	833111122	CYQCMPHFURXNLU-VXGBXAGGSA-N	319.361	1.137	50	20	DDGD	
CC(C)c1ccccc1NC(=S)NNC(=O)CN(C)C(=O)O	736523486	SEKVHAKHFNBHJG-UHFFFAOYSA-N	324.406	1.737	50	20	DDGD	
O=C(NC[C@@H]1CCC[C@H]1C1CC1)c1ccc(B(O)O)c(F)c1	585001804	DOYHWVWTDBKYKC-STQMWFEESA-N	305.158	1.062	50	20	DDGD	
C[C@H]1CN(Cc2ccccn2)CCC1=NNC(=O)c1cnccn1	734365293	FOMQDRJIGNHYMV-ZDUSSCGKSA-N	324.388	1.499	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccnc(C2CC2)n1	732640710	IEHIKUXRWGWGDN-UHFFFAOYSA-N	312.329	1.437	50	20	DDGD	
COC[C@@H](CNC(=O)NNc1ccc(C)cc1Cl)OC	838542422	SENGVUUDWUVEJY-SNVBAGLBSA-N	301.774	1.936	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(N(C)C)cc1)c1cn(C)nn1	834963717	YNGAOBBGHLIGOJ-UHFFFAOYSA-N	301.354	1.427	50	20	DDGD	
CCn1cc(C=NNC(=O)CNc2ccccc2OC)cn1	732527737	ICEFOIDMMDEIIP-UHFFFAOYSA-N	301.350	1.474	50	20	DDGD	
COc1c(O)ccc(C=NNC(=O)[C@@H]2CCCCO2)c1[N+](=O)[O-]	834984808	FVSASNPZUYPZJN-NSHDSACASA-N	323.305	1.328	50	20	DDGD	
Cc1ccsc1C(Cc1ccccc1)=NNC(=O)C(N)=O	735970980	MLDNQTCWCXPTNS-UHFFFAOYSA-N	301.371	1.605	50	20	DDGD	
O=C(CN1CCS[C@H](c2ccccc2)C1)NNC(=O)C1CC1	735495269	SFOCGHWJLXKRGD-AWEZNQCLSA-N	319.430	1.334	50	20	DDGD	
O=C(NCCCOCC(F)(F)F)NNC(=O)C1CCCC1	916458725	GLLDQFIPGBJKHN-UHFFFAOYSA-N	311.304	1.476	50	20	DDGD	
C[C@H]1CN(C[C@@H](C)C(=O)NN=Cc2ccsc2)C[C@@H](C)O1	916371836	MNBYQHKZRBCSFU-UPJWGTAASA-N	309.435	1.944	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1ccc2oc3ccccc3c2c1	914746409	WFGRQBOQHDPNQU-UHFFFAOYSA-N	304.327	1.915	50	20	DDGD	
COC(=O)[C@@H](NS(=O)(=O)CCl)c1ccc(F)c(C)c1	831121074	NFQZJZQMNOVNFO-JTQLQIEISA-N	309.746	1.464	50	20	DDGD	
O=C(NCC(Cl)Cl)c1cc([N+](=O)[O-])cc2c1OCCO2	837649996	XTZJIGZIYMRWKP-UHFFFAOYSA-N	321.116	1.900	50	20	DDGD	
Cc1c(NNC(=O)CCOC[C@@H]2CCCO2)cccc1[N+](=O)[O-]	748667011	UYYCUIJVOMNGJM-LBPRGKRZSA-N	323.349	1.932	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1ccc(O)cc1	916363284	SRMOEUDDFSDXIC-GFCCVEGCSA-N	305.378	1.201	50	20	DDGD	
CCCOc1cccc(C=NNC(=O)[C@H](C)OCCOC)c1	748256746	CIVSMMJLSZRPPL-ZDUSSCGKSA-N	308.378	1.977	50	20	DDGD	
CC(=O)N1CCC(C(=O)NNc2cccc([N+](=O)[O-])c2)CC1	747994654	GNZILROKJLQEGB-UHFFFAOYSA-N	306.322	1.296	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=C1C(=O)Nc2ccc(Cl)cc21	842551560	CVSTYNZQBMUDDD-VXNVDRBHSA-N	307.737	1.537	50	20	DDGD	
CCNC(=O)COc1ccc(C=NNC(=O)C2CC2)cc1OC	916290872	YPTHUTCAZUPBKY-UHFFFAOYSA-N	319.361	1.070	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc3c(c2)OCO3)n1	746624938	AMSGTJXTXZLMGS-UHFFFAOYSA-N	302.290	1.279	50	20	DDGD	
COc1cccc2c1NC(=O)C2=NNC(=O)[C@H]1CCCCO1	842535923	KILDWOICONOZAQ-LLVKDONJSA-N	303.318	1.037	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2C[C@@H]3[C@@H](C2)C3(F)F)cc(C#N)n1C	846600768	OCCSFQRDVVEGNB-KXPQISSRSA-N	316.311	1.836	50	20	DDGD	
C[C@@H](Cc1cnc[nH]1)C(=O)NNC(=O)C(C)(C)c1ccccc1	847475639	MKJGVPFDAMUOHC-LBPRGKRZSA-N	314.389	1.714	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)c3ccc[nH]3)cc2nc1C	747663519	KKYHXONWVNEDOC-UHFFFAOYSA-N	309.329	1.650	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(CCO)c1cccc(C(C)C)c1	844370124	CZUUKYZOPKBVAR-UHFFFAOYSA-N	321.421	1.412	50	20	DDGD	
C=CC[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccccc1	843658893	SMOHQBXKYMHQTM-CFVMTHIKSA-N	302.374	1.919	50	20	DDGD	
Cc1nc(-c2ccc(C(=O)NNC(=O)NCC3CC3)cc2)n[nH]1	746166882	JIUXLTBSVJSKOX-UHFFFAOYSA-N	314.349	1.134	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccccc1Br	744812038	CDDIWIHKLMYYNI-UHFFFAOYSA-N	312.167	1.424	50	20	DDGD	
COCCOCC(C)=NNC(=O)Cc1c[nH]c2ccccc12	741161859	KQPHXPYXPDIKNS-UHFFFAOYSA-N	303.362	1.866	50	20	DDGD	
NC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ccccc1F	841953338	OCMJIWMALJUXLF-MFKMUULPSA-N	308.357	1.287	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H]([C@@H]1CCCO1)C1(CO)CCC1	912203870	CBFHJIQKPGKXLE-WXLZEUHASA-N	308.378	1.257	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)cc1	911876995	IIGVDZPYNSQIFP-TUKIKUTGSA-N	302.330	1.070	50	20	DDGD	
COC(=O)NCC(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	912580010	LZASGYQYVYCQDW-LLVKDONJSA-N	316.474	1.965	50	20	DDGD	
C#CCCCNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	743692117	QIKLNZOXOXSGDL-UHFFFAOYSA-N	303.406	1.947	50	20	DDGD	
C[C@@H](CN)CNC(=O)NNC(=O)c1ccc(Cl)cc1Cl	841962889	MPRRUMUZDIIOFT-ZETCQYMHSA-N	319.192	1.532	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1ccc[nH]1)NC(=O)OC(C)(C)C	742489270	JCHNKPYTZCPHDJ-VIFPVBQESA-N	310.354	1.079	50	20	DDGD	
O=C(NNc1c(F)cccc1F)N[C@@H]1CC[C@H]2CNC[C@@H]2C1	842015330	MVNQTYCBKHGXLB-GARJFASQSA-N	310.348	1.979	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1Cl)[C@@H]1CCS(=O)(=O)N1	845856385	JPSZKUIRFMXTFR-QMMMGPOBSA-N	324.189	1.128	50	20	DDGD	
CC(C)N1CCC[C@@H]1C(=O)NNC(=O)COc1ccc(F)cc1	929290818	DTTMTRBRPVJJEI-CQSZACIVSA-N	323.368	1.225	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccc(C#N)cc1)CC1CCCC1	744395391	SJVXLAQNRSGJDR-UHFFFAOYSA-N	314.389	1.441	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2cncn2C1	844136153	BRKCIJOXELKGSO-SNVBAGLBSA-N	301.306	1.497	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1scnc1C(C)(C)C	843651379	CHUCSMDXVZHXJH-IUCAKERBSA-N	311.407	1.627	50	20	DDGD	
C=Cc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCCCO2)cc1	840913085	AIRNRFMZDXBQON-CYBMUJFWSA-N	310.375	1.208	50	20	DDGD	
Cc1cnc(SCC(=O)NNC(=O)c2cccc(C)c2)nc1	742451027	NTUOXKVIFPVLQE-UHFFFAOYSA-N	316.386	1.647	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)CCN2C(=O)CCNC2=S)c1	847601733	FCHXEBCKYSOIGY-UHFFFAOYSA-N	320.418	1.243	50	20	DDGD	
CCC1(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)COC1	755041977	UUEOWIJZGOJYDS-UHFFFAOYSA-N	306.406	1.777	50	20	DDGD	
Cn1cc(Cl)c(C(=O)NNC(=O)C(C)(C)c2ccccc2)n1	859298780	YDIIVBCQZATUEG-UHFFFAOYSA-N	320.780	1.812	50	20	DDGD	
CN(Cc1nncn1C)C(=O)NC[C@@]1(C)C[C@H]1Br	856959471	VBOBDISVRPMMEM-LDYMZIIASA-N	316.203	1.130	50	20	DDGD	
Cc1cc(C)cc(C=NNC(=O)Cc2cc(O)nc(S)n2)c1	921259158	XWVPTXJQIXYUPB-UHFFFAOYSA-N	316.386	1.781	50	20	DDGD	
C[C@H](OC[C@H]1CCCO1)C(=O)NNc1ncccc1[N+](=O)[O-]	759285544	MJEDVHRHNXVTQA-VHSXEESVSA-N	310.310	1.017	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NC[C@]1(C)C[C@@H]1Br	857394398	QWUSSWLYNLAMLR-GWCFXTLKSA-N	319.243	1.925	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1C	852395115	ZZUVXMOUDDEVPM-UKRRQHHQSA-N	319.405	1.601	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1ncc[nH]1	854196933	RDKLSCWNFXCTKK-UHFFFAOYSA-N	302.378	1.777	50	20	DDGD	
CCn1cc(CNC(=O)NC[C@]2(C)C[C@H]2Br)cn1	856856760	LRNYYRKWWSPLHL-PWSUYJOCSA-N	315.215	1.876	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)c2cccc(F)n2)c1C	856423125	LZSWPBWQDJSALQ-UHFFFAOYSA-N	319.340	1.601	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@@](F)(CO)C2)C[C@@H]1Br	856957132	AEWSAKITRZEZOZ-GDPRMGEGSA-N	309.179	1.276	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H](O)c2cccnc2)cc1Cl	753303707	NVHUFYODMZDTNT-CYBMUJFWSA-N	302.721	1.783	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NC[C@H]2CCCCO2)c1	920344113	LRQNLQVYNJWUHP-CQSZACIVSA-N	320.393	1.266	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N1CC[C@H]2C[C@@H]2C1	851915871	PNDCUTNTRCBBIZ-NWDGAFQWSA-N	313.361	1.339	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccc[nH]2)n(C(C)(C)C)n1	920933438	ZGCGJEJTEYTKFC-UHFFFAOYSA-N	304.354	1.741	50	20	DDGD	
CC(CN1C(=O)CCC1=O)=NNC(=O)Nc1ccccc1C	754932602	NHGKIQHXEKJVAS-UHFFFAOYSA-N	302.334	1.641	50	20	DDGD	
C[C@@H](CC(=O)NNc1cc(Cl)nc(N)n1)c1ccncc1	753456732	BOPYDCHBABJSNS-QMMMGPOBSA-N	306.757	1.744	50	20	DDGD	
COc1cccc(OCC(=O)NNC(=O)OCC(F)(F)F)c1	856024096	HUNJZBJHIMQCQS-UHFFFAOYSA-N	322.239	1.394	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2nccnc2C)c1	854191381	FVEPZOMMMGXJAO-UHFFFAOYSA-N	314.345	1.242	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ncnc2ccsc12	854683361	OWNFNIBFXAYNSA-SECBINFHSA-N	306.347	1.021	50	20	DDGD	
CN(CCn1cccn1)C(=O)NC[C@@]1(C)C[C@@H]1Br	856900259	VLLUGDKCBBZCQB-CMPLNLGQSA-N	315.215	1.698	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)n1C	855829819	SFFFBZWACHXFPS-UHFFFAOYSA-N	322.409	1.037	50	20	DDGD	
CC(C)(C)OC(=O)[C@]1(C(=O)NNc2ncncc2F)CC1(C)C	854609906	VONNPIRXJSBMAE-OAHLLOKOSA-N	324.356	1.817	50	20	DDGD	
C[C@]1(CNC(=O)C2(S(C)(=O)=O)CCC2)C[C@H]1Br	857389335	ZUTGQGDIYPBJII-PSASIEDQSA-N	324.240	1.243	50	20	DDGD	
CC(C)NC(=O)NN=CC1(CN2CCOCC2)CCCCC1	751134203	UZUYAQALFYGJSR-UHFFFAOYSA-N	310.442	1.963	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCCOCCF)cc(C#N)n1C	856471911	DKICZPYWTRGOEL-QPEQYQDCSA-N	304.325	1.214	50	20	DDGD	
O=C(CO)NNC(=O)c1cnc(-c2ccccc2Cl)s1	753445663	SDHPNQUQIQLRQC-UHFFFAOYSA-N	311.750	1.217	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1C(=O)NNC(=O)C1CCCC1	755328202	YVCJLSZXUSHMHV-UHFFFAOYSA-N	307.306	1.555	50	20	DDGD	
O=C(N1[C@H]2CC[C@H]1CNC2)[C@@]12CC[C@@H](C[C@@H]1Br)C2	852928570	ZUZJQPUALZWQCP-CUOUOBHDSA-N	313.239	1.903	50	20	DDGD	
CC(C)C(=O)NNC(=O)C1CC(O)(c2cccc(Cl)c2)C1	858143601	OGGXTBQMUUKVEZ-UHFFFAOYSA-N	310.781	1.741	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H]2COc3ccccc3O2)c(C)n1C	754895325	MYCJKWNGIIKQCA-MRXNPFEDSA-N	313.357	1.932	50	20	DDGD	
Cc1cccc(-c2n[nH]cc2C=NNC(=O)c2cnn(C)c2)c1	755730765	NXEXIZGIUYRJMQ-UHFFFAOYSA-N	308.345	1.883	50	20	DDGD	
N#CCOc1cc(F)ccc1NCc1cccc(B(O)O)c1	864008700	NNUPUGOONQYPMY-UHFFFAOYSA-N	300.098	1.020	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H](C)CC2(C)OCCO2)nc1	868858649	NVNJBEAQPCVZGD-LBPRGKRZSA-N	308.382	1.805	50	20	DDGD	
O=C(NNc1ccc(F)c(Cl)c1)[C@H]1CN2CCCN1CC2	863081694	UNZACVFKWRHYLC-CYBMUJFWSA-N	312.776	1.312	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC2CCCC2)nc1Cl	767886396	WTMPAOKPQWLLEJ-UHFFFAOYSA-N	312.757	1.630	50	20	DDGD	
COc1cc(O)c(C=NNC(=O)NCC(F)(F)F)cc1OC	768360223	LGEFGVXBGLVFFN-UHFFFAOYSA-N	321.255	1.605	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2ccc(SC(F)F)cc2)N1	863148001	QRCLJNONLSDCKK-SNVBAGLBSA-N	313.329	1.730	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2CCSC2)cc1	762169781	CFOPIWQGYYWPJR-GFCCVEGCSA-N	308.403	1.528	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)Oc1ccccc1C(N)=O	866390156	RVZJYHRKHAVBSJ-UHFFFAOYSA-N	305.783	1.759	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1ccc2nccn2c1	863093919	GYBDJROXINFRSJ-UHFFFAOYSA-N	308.210	1.766	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)C1Cc2ccccc2C1	761827672	JBYHUZNDPVSGBY-UHFFFAOYSA-N	312.344	1.931	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCc2ccc(C)o2)c1	867972315	WYNMNEGVZCRHSS-UHFFFAOYSA-N	317.345	1.806	50	20	DDGD	
CC[C@@H](C)[C@H](C(=O)NNC(=O)COCCOC)c1ccccc1	869909655	FBNLBFTUPMSIOO-CJNGLKHVSA-N	322.405	1.627	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2cccc(F)c2Cl)CCC1	862507257	XEQPWBMNJIEKJT-UHFFFAOYSA-N	320.773	1.890	50	20	DDGD	
COc1cc(C(=O)NNc2ncc(F)cn2)cc(OC)c1OC	760921475	ZZJIOKJLSIPVJQ-UHFFFAOYSA-N	322.296	1.398	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1[C@@H](C)CC[C@@H]1C	763692852	CFIMQBCTAZZZEK-KBPBESRZSA-N	303.406	1.558	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H](c1cccc(OC)c1)N(C)C	875002275	DTZAKEZJHKGLEG-CYBMUJFWSA-N	324.381	1.210	50	20	DDGD	
CC(=O)Nc1cccc(NC(=O)C(=O)NNc2ccccn2)c1	1116559031	KAOHCTCEIRJHGC-UHFFFAOYSA-N	313.317	1.122	50	20	DDGD	
CC(C)C(=O)NCCNC(=O)NNc1cccc(F)c1Cl	875006011	CTUBWTGOCCCQFY-UHFFFAOYSA-N	316.764	1.877	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1ccc2c(c1)CCC(=O)N2	872403543	VFTZPZBDBYMLDN-UHFFFAOYSA-N	319.361	1.075	50	20	DDGD	
C#CCOCCC(=O)NNC(=S)Nc1ccc(C)c(C)c1	873764167	XDTLUMHVRVSDBC-UHFFFAOYSA-N	305.403	1.661	50	20	DDGD	
Cc1cc(=NNC(=O)NCCCOC[C@@H]2CCCO2)cc[nH]1	875024776	ZXMGYUYUCQJJKE-AWEZNQCLSA-N	308.382	1.024	50	20	DDGD	
O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNc1ccccn1	777472868	FUNGQWBUQINFIU-TXEJJXNPSA-N	316.361	1.090	50	20	DDGD	
C[C@H](S[C@H](C)C(=O)NC[C@]1(C)C[C@H]1Br)C(=O)O	872882034	DSSNWUOXZPAQDI-UVMAFCGOSA-N	324.240	1.871	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)CC(F)(F)F)c1ccccc1	776120072	RDSJXWWQTUAEFM-GFCCVEGCSA-N	304.268	1.648	50	20	DDGD	
O=C(NNc1ccc(F)cn1)c1ccnc(N2CCCC2)n1	874649522	QWHSMNNVJUCESI-UHFFFAOYSA-N	302.313	1.368	50	20	DDGD	
CCc1cccnc1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	772235566	MFHAHTVAZWDICU-LLVKDONJSA-N	321.377	1.383	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNc2ccnc(N(C)C)n2)C1(C)C	776158924	ZYCVTMSZAJVJQU-NEPJUHHUSA-N	319.409	1.627	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](N)c1ccccc1C(F)(F)F	884313714	MXRPIQFWLGHGRK-JTQLQIEISA-N	318.299	1.398	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(NC(=O)OCC)cc1	887139593	WATMJBLIZPJSIE-UHFFFAOYSA-N	317.345	1.820	50	20	DDGD	
COC(=O)c1ccnc(NC(=O)NNc2ccc(OC)cn2)c1	770682162	LDUZOTKGAXZXSO-UHFFFAOYSA-N	317.305	1.420	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)c1cc2c(cc1O)OCO2	778451124	KKJMQOMFIVSJLA-UHFFFAOYSA-N	307.693	1.926	50	20	DDGD	
CC(C)C(=O)NNC(=O)Cn1cc(-c2cccc(Cl)c2)nn1	881299510	MWZFILPHWCDSFD-UHFFFAOYSA-N	321.768	1.402	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)c2ccc(C)c(O)c2)c(C)n1	882051408	LDXWXIVORLSAJU-UHFFFAOYSA-N	302.334	1.300	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1c(O)nnc(C)c1C	780738925	SFWAJPQAUGAFPE-UHFFFAOYSA-N	316.317	1.343	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)[C@@H]1CCC=CO1	787428126	JJRCQHQFARRNMN-LBPRGKRZSA-N	309.753	1.863	50	20	DDGD	
COCC[C@H](NC(=O)NNC(=O)C1CCCC1)c1ccco1	780888575	LOLQXUSSCXZEAI-LBPRGKRZSA-N	309.366	1.878	50	20	DDGD	
Cn1cc(CCCNC(=O)NNc2ncncc2Cl)cn1	780977264	JNRMOHJIDYMAKP-UHFFFAOYSA-N	309.761	1.122	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccccc1-n1cncn1	786039558	FEWZXEZBINBXIK-JYRVWZFOSA-N	302.359	1.957	50	20	DDGD	
O=C1Nc2cc(OC(F)(F)F)ccc2C1=NNC(=O)C(F)F	782234329	TUNJORQWWSICMY-UHFFFAOYSA-N	323.177	1.623	50	20	DDGD	
Cc1cc(C)cc(N2CC[C@@H](C(=O)NN=c3cc[nH]cc3)C2=O)c1	780761207	KUPSMVNBPNZFLB-INIZCTEOSA-N	324.384	1.617	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1ccccc1C(F)(F)F)C1CC1	899937616	QQDHRWUHRLLLEJ-JTQLQIEISA-N	302.252	1.296	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1ccc(F)cc1[N+](=O)[O-]	783833228	LOLKPBFAPIGPHY-UHFFFAOYSA-N	312.301	1.794	50	20	DDGD	
O=C(/C=C\c1ccc2c(c1)OCO2)NNC(=O)C1CCOCC1	894097038	AMBHUMDIOBHQGQ-RQOWECAXSA-N	318.329	1.003	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccn(-c2ccccc2Cl)n1	780709538	FRUMNHKPSQPTOU-UHFFFAOYSA-N	321.768	1.832	50	20	DDGD	
CC(C)C[C@@H](CCO)CNS(=O)(=O)CBr	782461970	WZHIPGFKLGVOCX-SECBINFHSA-N	302.234	1.303	50	20	DDGD	
CCC(=O)NN=Cc1c(Br)n[nH]c1Br	792885735	IQVFSKIZGZZVGH-UHFFFAOYSA-N	323.976	1.795	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1cccc(Br)n1	794957373	BPGZIKFINFUTPV-RMKNXTFCSA-N	316.180	1.600	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(C(C)=O)c(C)nc1C	798307011	GMLSUQWOQRKXRY-UHFFFAOYSA-N	306.391	1.196	50	20	DDGD	
Cc1c(C)c(O)c(C=NNC(=O)c2cnccn2)c(C)c1O	799874613	SEXSWLDTILDITQ-UHFFFAOYSA-N	300.318	1.577	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1)c1cnoc1C	799473791	QCMXKJNIQAJVDX-WOPDTQHZSA-N	322.409	1.569	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@@H](C)c1nnnn1C1CC1	790718107	NICQZMFDZGSTLO-VIFPVBQESA-N	319.344	1.843	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2cc(F)ccc2F)n1	794089456	FTUQRBWKPWVDCY-UHFFFAOYSA-N	305.284	1.672	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NOCC(F)F)c1ccccc1	792924734	WOPKFKSADWBQQB-UHFFFAOYSA-N	301.293	1.491	50	20	DDGD	
O=C(Cc1ncccc1F)NNC(=O)NCCc1cccs1	792083673	GLGTZDFHECINAN-UHFFFAOYSA-N	322.365	1.398	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc(C)c(C#N)c1	799334383	YBBMIJDOWNEQJF-UHFFFAOYSA-N	309.325	1.950	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ncnc2[nH]cnc12)c1cccnc1	798110553	ICLMPSFHZOLGCR-LLVKDONJSA-N	311.349	1.631	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNc1ccccc1S(C)(=O)=O	793680669	GCTKFOJQKBALHH-MFKMUULPSA-N	314.407	1.594	50	20	DDGD	
CC(C)(C=NNC(=O)CCO)[C@H](C[N+](=O)[O-])c1ccccc1	1319497110	QEKSSPKGWFKHKS-CYBMUJFWSA-N	307.350	1.558	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)CCN2CCC(C)CC2)c[nH]1	1319021987	AHWNCPPBYYJIKM-UHFFFAOYSA-N	320.393	1.373	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccc3ccccc3n2)ccn1	1318595369	QDFDFWQCGJLROY-UHFFFAOYSA-N	322.324	1.713	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)CO[C@@H]2CCOC2)cc1	1318915599	SUKMNIIUSPETTR-GFCCVEGCSA-N	324.402	1.040	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1ccnn1C[C@@H]1CCOC1	1320717620	MHPMTNMYWMWULU-NSHDSACASA-N	321.381	1.263	50	20	DDGD	
CC(C)[C@H](C)N(C)C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1328612033	CIKNBERUWLSILE-OPQQBVKSSA-N	319.243	1.779	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)c1cn(C2CCOCC2)nn1	1329384501	WYWSCDUCNCWGRG-UHFFFAOYSA-N	322.756	1.435	50	20	DDGD	
Cc1cccc2nc(C(=O)NNC(=O)NCC(F)(F)F)cn12	1325106515	AJZDFEMRIDXASN-UHFFFAOYSA-N	315.255	1.149	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@@H](C)c1ccc(Cl)c(F)c1	1326503168	SOQBZVULSGQXAD-VIFPVBQESA-N	315.776	1.933	50	20	DDGD	
CO[C@@H](CNC(=O)NN=c1cc[nH]c(C)c1)c1ccc(F)cc1	1330308448	BEJPYSMKOBLHOR-HNNXBMFYSA-N	318.352	1.965	50	20	DDGD	
COC(=O)C(=O)NNC(=O)NCCCCCCc1ccccc1	1333228545	BWDIDOKMBBNCIJ-UHFFFAOYSA-N	321.377	1.293	50	20	DDGD	
CO[C@H]1CCC[C@@H]1C(=O)NNC(=O)CCOc1ccccc1	1336316911	YPZZXXYHMVSNSG-KBPBESRZSA-N	306.362	1.418	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=O)c2ccc(Cl)nc2)c1C	1337062253	JGTXOYMBLUOOSW-UHFFFAOYSA-N	321.768	1.725	50	20	DDGD	
Cc1c(C(=O)NNC(=O)OCC(F)(F)F)ccc2cncn12	1261754908	OOVKNIIXBGWSAT-UHFFFAOYSA-N	316.239	1.576	50	20	DDGD	
CO[C@H](CNC(=O)NNc1nncc(N)c1Cl)CC(C)C	1261373529	IKYWQKVAAXZMLK-QMMMGPOBSA-N	316.793	1.399	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(OC)c(C)c1	1347799259	QLKMXESDNOYGEF-UHFFFAOYSA-N	321.377	1.069	50	20	DDGD	
Nc1cnnc(NNC(=O)C2(C(F)F)CCCC2)c1Cl	1261218038	GJKBLJSLBFTBPW-UHFFFAOYSA-N	305.716	1.981	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2CS[C@H](C)C2)cc1	1261365383	NOHOAZALVSUAKD-MWLCHTKSSA-N	309.391	1.533	50	20	DDGD	
O=C(CCn1cnnn1)NNc1cc(C(F)(F)F)ccc1F	1350715833	KBDXMMALFCOFDV-UHFFFAOYSA-N	318.234	1.364	50	20	DDGD	
O=C(Cc1ccc(F)cn1)NNc1ccc(F)c(C(=O)O)c1	1601360633	CJJCFZNRZMCICW-UHFFFAOYSA-N	307.256	1.744	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)C(=O)O)c1	1607317383	NFNZJDJIOHKZNZ-CAXXOGMASA-N	303.270	1.188	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)C2(Br)CC2)cc1F	1608903665	CTQWCJQRXQVFFB-UHFFFAOYSA-N	317.114	1.895	50	20	DDGD	
CC(C)n1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cn1	1609107303	FSLIKITVMLZQGV-UHFFFAOYSA-N	312.337	1.401	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	1607140094	MCBAFMLVWDGHRC-FOGDFJRCSA-N	306.318	1.404	50	20	DDGD	
CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1c[nH]nc1C	1609061031	XLHZBOHIMQYJNN-UHFFFAOYSA-N	310.321	1.052	50	20	DDGD	
Cc1cncc(NC(=O)C(=O)NNc2cccc(C(=O)O)c2)c1	1600627740	ANNQYNVXQIJAGX-UHFFFAOYSA-N	314.301	1.170	50	20	DDGD	
Cc1c(NNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)cccc1C(=O)O	1600052818	UROYNRKVOODQBB-WCQGTBRESA-N	302.330	1.752	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1ccc([N+](=O)[O-])cn1	1601561232	WLZFROBQTWUINK-UHFFFAOYSA-N	302.246	1.445	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@@]1(C(=O)O)CC=CCC1)C1CC1	1603242531	HRYBNFMBJKFAOS-YMTOWFKASA-N	311.407	1.091	50	20	DDGD	
CC(=NNC(=O)CCc1ccco1)c1ccc(-c2nn[nH]n2)cc1	1609060866	KPPDEJKKXYLHMY-UHFFFAOYSA-N	324.344	1.933	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)cc[nH]1	1607696063	XZJSBDZBLHEFFJ-VTPLQMEGSA-N	301.346	1.168	50	20	DDGD	
O=C(NN=Cc1cc2c([nH]1)CCCC2)[C@H]1CN2CCC[C@H]2CO1	1549905722	ULQGWRBIQXFIBR-GOEBONIOSA-N	316.405	1.207	50	20	DDGD	
O=S1(=O)C[C@H](I)[C@H](OC2CCC2)C1	158380206	JTMOUPQLQHYNDY-JGVFFNPUSA-N	316.160	1.156	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)CCCCCN)cc1	1579735500	PHRFPZSJMKTLBE-UHFFFAOYSA-N	309.435	1.754	50	20	DDGD	
CCC(CC)(COCc1ccccc1)C(=O)NNC(=O)CN	1577061279	SRRCMDKGOLPYRB-UHFFFAOYSA-N	307.394	1.116	50	20	DDGD	
O=C(NNc1ccc(Cl)c(Br)c1)C1CNC1	1580737054	IQQFDTPLGNKUHE-UHFFFAOYSA-N	304.575	1.765	50	20	DDGD	
CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1nccnc1C	1588776436	NSLPYPNKTDUKNP-UHFFFAOYSA-N	322.332	1.119	50	20	DDGD	
C[C@@H](CC(=O)O)NC(=O)NNC(=O)c1ccc2ccccc2c1	1589001930	PLJKHNUPEVLDON-JTQLQIEISA-N	315.329	1.647	50	20	DDGD	
CC(C)(CC#N)CNC(=O)NNc1cccc(-c2nn[nH]n2)c1	1589267096	HWXVSHAZVMTMOP-UHFFFAOYSA-N	314.353	1.433	50	20	DDGD	
O=C(/C=C/c1ccc(C(=O)O)o1)NNC(=O)Cc1ccsc1	1594672664	QCHQYTPOPMRULR-DUXPYHPUSA-N	320.326	1.443	50	20	DDGD	
O=C(O)c1cnc2c(c1)C(=NNC(=O)c1ncccn1)CCC2	1776081356	KXIAAMLLZFAFOS-UHFFFAOYSA-N	311.301	1.040	50	20	DDGD	
Cc1cn(C)c(C=NNC(=O)Nc2ccc(C(=O)O)cc2)n1	1776046818	JTLHLMNNGHXAIE-UHFFFAOYSA-N	301.306	1.582	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C/c1ccccc1OCCC(=O)O	1776946155	KLHPEKQOHKODMI-FMIVXFBMSA-N	309.343	1.839	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc(C(=O)O)cc1OC	1776118176	VDUMVRKTFXPAPJ-GHXNOFRVSA-N	304.302	1.063	50	20	DDGD	
O=C(O)c1cc2ccccc2c(C=NNC(=O)C(F)F)c1O	1776054164	JEOFXISKYHTUSN-UHFFFAOYSA-N	308.240	1.959	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC1CC1)[C@H](F)Cl	1795771157	VSSGTWMQOFSGIQ-NOHGZBONSA-N	302.777	1.959	50	20	DDGD	
CC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl	1796805935	FXAFPTPWNIXRNA-BZNPZCIMSA-N	312.719	1.814	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(C)nc2c1cnn2[C@@H](C)CC	161264022	ZMFKHNZKAJVKKG-JTQLQIEISA-N	318.381	1.675	50	20	DDGD	
CCC(C)(CC)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1	162111381	HGNGBOQQJUGEAJ-UHFFFAOYSA-N	316.365	1.250	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CS[C@@H]2CCO[C@H]2C)c1	163757306	RKZPOHZKMNFVHP-WCQYABFASA-N	308.403	1.667	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)COc1cc(C)cc(C)c1)N(C)C	152148571	MPHDLSBHABFBBC-CQSZACIVSA-N	307.394	1.170	50	20	DDGD	
CN(CC(=O)NNc1cccc(C#N)c1)C(=O)OC(C)(C)C	152258807	OKXBQRZZJWJQJA-UHFFFAOYSA-N	304.350	1.868	50	20	DDGD	
O=C(NNc1ccccc1F)[C@H]1CC(=O)N(c2cn[nH]c2)C1	153208877	HJALPGVKFZOSNR-VIFPVBQESA-N	303.297	1.045	50	20	DDGD	
Cc1cc(C)n2nc(C(=O)NNc3ccccc3F)nc2n1	153222126	GEMBQVOYICJSSX-UHFFFAOYSA-N	300.297	1.637	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cccc(C)c1)Cc1ccoc1	153540731	KMIIVNNNRKFCHG-UHFFFAOYSA-N	315.373	1.871	50	20	DDGD	
COc1ccc(NNC(=O)c2oc(C)nc2C)c([N+](=O)[O-])c1	155262931	HNWUTAGTNWNGEU-UHFFFAOYSA-N	306.278	1.965	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)Cc2cccc3ccccc23)nn1	154316270	DLXBKGQIGDWFTH-UHFFFAOYSA-N	321.340	1.415	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@H]1CCCC12OCCO2	889506307	LJSZFZSYSMHXKQ-VIFPVBQESA-N	301.343	1.021	50	20	DDGD	
CCCn1c(C)c(C(=O)NNC(=O)NC)c2cc(OC)ccc21	56376749	UYSOWZYOVOPHCT-UHFFFAOYSA-N	318.377	1.942	50	20	DDGD	
CNC(=O)NNC(=O)C(C)(C)c1ccc(OCC(C)C)cc1	107568111	DFAWBFWPJOKNFM-UHFFFAOYSA-N	307.394	1.959	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2C[C@H](C)C[C@@H](C)C2)n1	8307215	VDWFKKYYDOGRBV-GHMZBOCLSA-N	324.450	1.119	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CCOc3ccccc32)cc1	102866844	POEFBMJITAAXEV-OAHLLOKOSA-N	321.336	1.886	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cccc([N+](=O)[O-])c2C)n1	174477936	NDGYGTWJWUGSQN-UHFFFAOYSA-N	317.305	1.767	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NC[C@H]2C[C@@H]3CC[C@@H]2C3)cc1	171230328	CPCBEIAVSPHTQW-BPLDGKMQSA-N	312.373	1.938	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)c1)NOCc1cccnc1	178490041	LHKJEEKBOPNYAY-UHFFFAOYSA-N	320.736	1.811	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@H](C)c2ccccc2F)n1	108986203	MKVDGROYRBMYCQ-GFCCVEGCSA-N	318.352	1.590	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)CC(C)(C)C	171483237	QFLQKXAKGZACQM-HZMBPMFUSA-N	306.362	1.799	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNc1ncccn1)c1cccnc1	175908251	IOMVCNUIESHWHL-CYBMUJFWSA-N	300.366	1.938	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)C(=O)N(C)C)cc1	171981427	ILOBKMQBYSVYNM-HLVNSREUSA-N	315.373	1.585	50	20	DDGD	
CCOC(=O)NCCC(=O)NNC(=O)CCCc1ccccc1	57691801	YDCCWKRONRSVCK-UHFFFAOYSA-N	321.377	1.293	50	20	DDGD	
CC[C@H](CC(=O)NNC(=O)CNC(=O)c1ccco1)C(C)C	104368302	LIKJYVWQWOJHHJ-LLVKDONJSA-N	309.366	1.229	50	20	DDGD	
CCn1cc(C(=O)C(=O)NNc2cc(F)c(F)cc2F)cn1	179492975	HWLLBIPUCHVFMW-UHFFFAOYSA-N	312.251	1.646	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)Cc2ccccc2F)n(C)n1	173400458	PMMBXTCRBMRVKG-UHFFFAOYSA-N	318.352	1.686	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@@H](c1cccnc1)C(C)C	175893713	PHJJBKIDLHHYSY-CYBMUJFWSA-N	308.382	1.188	50	20	DDGD	
C=CCN1CCC(NC(=O)NNC(=O)c2ccc(C)s2)CC1	171739144	UFXZICGNEYWKRK-UHFFFAOYSA-N	322.434	1.651	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)cn1	117678347	ZIZOWMRDHQYGRM-NEPJUHHUSA-N	320.299	1.263	50	20	DDGD	
Cc1cc(NNC(=O)COc2ccc([N+](=O)[O-])cc2)ncn1	172279199	PPQBUSIVRJQNMW-UHFFFAOYSA-N	303.278	1.215	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cnn(-c2ccccc2)c1	128330784	NYTLCBNTJLPVPE-AWEZNQCLSA-N	314.345	1.202	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2n[nH]c3c2CCC3)cc1	127147490	YIABVUMYLPCEEB-UHFFFAOYSA-N	314.345	1.047	50	20	DDGD	
CC(C)c1nc(C(=O)NN(C)C(N)=O)nn1-c1ccccc1F	182655333	PTPXLVVEKJBKQQ-UHFFFAOYSA-N	320.328	1.185	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)Cc1cccc(OC(C)C)c1	120606869	UUKPMQDROGOLHI-CYBMUJFWSA-N	321.421	1.852	50	20	DDGD	
COc1cccc(NNC(=O)NCC[S@@](=O)C(C)(C)C)n1	181291507	IMBVOKCTWGYOEN-OAQYLSRUSA-N	314.411	1.264	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CC[C@@H](C)[C@H](C)C1	122933018	ZXPHCEKFLUNACW-UKRRQHHQSA-N	317.433	1.663	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)Cc2cncs2)c1	187336819	NPNXAFYBKIVVQR-UHFFFAOYSA-N	319.386	1.529	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC2Cc3ccccc3C2)n1	186687530	OCYMQCWELPFQEL-UHFFFAOYSA-N	313.361	1.587	50	20	DDGD	
COc1ccccc1CNC(=O)NNc1ccc(Cl)nn1	31023829	PZDUCLJQPAFUOE-UHFFFAOYSA-N	307.741	1.965	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc(-n2cccn2)ccn1	129422850	MGRVDYYROUGOJY-UHFFFAOYSA-N	318.406	1.175	50	20	DDGD	
O=C(NNc1nccc(N2CCOCC2)n1)Nc1ccccc1	122000273	XTDSTIKHVWFTCD-UHFFFAOYSA-N	314.349	1.462	50	20	DDGD	
O=C(CCc1ccccn1)NNc1ccc(C(F)(F)F)nn1	123792736	ZGWNMAYCRRQDCZ-UHFFFAOYSA-N	311.267	1.966	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccn(-c2ccc(F)cc2F)n1	183996616	CQOQNLXJQMYCEU-UHFFFAOYSA-N	322.315	1.958	50	20	DDGD	
COc1ccnc(NNC(=O)NCCc2ccccc2F)n1	43480639	QQZJCZZMRBQCQH-UHFFFAOYSA-N	305.313	1.493	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Nc1cccc(F)n1	134111064	YENHWTQYVMJGPM-UHFFFAOYSA-N	318.308	1.625	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCc2cccc([N+](=O)[O-])c2)o1	87496860	ZEXJLHOLBGXCLJ-UHFFFAOYSA-N	317.301	1.890	50	20	DDGD	
COc1nccnc1NNC(=O)CN(C)Cc1ccccc1	131798323	WSWPKFVBMSOSCL-UHFFFAOYSA-N	301.350	1.060	50	20	DDGD	
Cc1ccccc1NC(=O)C(=O)NNc1nc2ccccn2n1	190608399	MVNXRTWZSDDNCH-UHFFFAOYSA-N	310.317	1.120	50	20	DDGD	
CCCc1csc(NC(=O)C(=O)NNc2ccnc(F)c2)n1	193414477	MXJGCFTWKLZXJL-UHFFFAOYSA-N	323.353	1.712	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccnn2C(C)C)c(O)c1	135068175	NRNZOZMLLZMHIU-UHFFFAOYSA-N	302.334	1.553	50	20	DDGD	
COC(=O)[C@@H](C)CN(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	194604229	JKMOBFJHWHCFAH-LFTLCWSBSA-N	302.330	1.567	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)NC1CCCCC1	194313631	HHHPRCUDKCVSAY-CYBMUJFWSA-N	324.425	1.441	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CCc1cccc([N+](=O)[O-])c1	88241606	BJKVHEVYSLPJOE-UHFFFAOYSA-N	324.406	1.821	50	20	DDGD	
CC(=O)NNC(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1	146433522	XUFRGSJDRJZYDS-VIFPVBQESA-N	311.411	1.548	50	20	DDGD	
CCCN1C(=O)C(=NNC(=O)c2cccnc2)c2ccccc21	254623390	JIEWXIVYWJFYBQ-UHFFFAOYSA-N	308.341	1.972	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)CC[C@@H]2CCCO2)c1	264052695	YUPRPDPEDNJNIW-ZDUSSCGKSA-N	321.377	1.214	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)C1CCC1)N1CCc2ccccc21	264727125	MCUZIXCFDZCAIJ-LBPRGKRZSA-N	316.405	1.568	50	20	DDGD	
CSC[C@@H](C)NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	265584766	RQCPLROBSGHFEI-MRVPVSSYSA-N	312.351	1.290	50	20	DDGD	
CC(C)(C)OC(=O)CCNC(=O)NNC(=O)c1ccccc1	266474056	HEOBLDIATBYPSA-UHFFFAOYSA-N	307.350	1.362	50	20	DDGD	
C=C(CBr)CN1CCN([C@@H]2CCCN(C)C2)CC1	366179760	FGILEVDVNOMHGN-CQSZACIVSA-N	316.287	1.649	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCS1)c1ccc2c(c1)OCCO2	273002722	SXJODXMLHSSBIS-ZDUSSCGKSA-N	322.386	1.505	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)CC[C@@H]2CCOC2)nc1C	272211384	RRIIFCCOGPECDI-LLVKDONJSA-N	322.365	1.222	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1ccc(OC(F)F)cc1	271257911	HOYKJABCDYXMTM-UHFFFAOYSA-N	301.293	1.523	50	20	DDGD	
CCCCCc1ccc(NC(=O)C(=O)NNC(=O)C2CC2)cc1	274080942	RBZNXYIQKWYJEW-UHFFFAOYSA-N	317.389	1.915	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1nc2ccccn2n1	276821635	IRYMKNOYLFSRFU-SECBINFHSA-N	320.353	1.086	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=O)C1CCC1	275629519	LDQIROXEYGJJMY-UHFFFAOYSA-N	308.294	1.556	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H](C)Oc1ccccc1	271249934	JAQNZPNNQLYXNP-SNVBAGLBSA-N	313.448	1.312	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(Br)cc1	271458782	WPHNOYFJIJWUOL-UHFFFAOYSA-N	300.156	1.755	50	20	DDGD	
CCn1nc(NC(=O)NNC(=O)c2cccnc2)cc1C1CC1	273491329	WRKMMEQUXDMEBB-UHFFFAOYSA-N	314.349	1.642	50	20	DDGD	
CSc1ccc(O[C@H](C)C(=O)NNC(=O)C(C)(C)O)cc1	276332357	YLYSXIBFKLADRB-SECBINFHSA-N	312.391	1.094	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	281314160	ZJDMXWORNAAPFH-HNNXBMFYSA-N	308.334	1.034	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@H]1CC(=O)N(Cc2ccco2)C1	376196364	BWPPMYQVMQQTQG-JTQLQIEISA-N	318.308	1.306	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CCCCN1Cc1ccccc1	286512911	XBLIIOGKQBVLBD-AWEZNQCLSA-N	305.378	1.771	50	20	DDGD	
CSSCCNC(=O)C(=O)N1CCc2ccc(C#N)cc21	285086083	GPAMITABTWHMHD-UHFFFAOYSA-N	321.427	1.575	50	20	DDGD	
CN(NC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F)c1ccccc1	806459051	AOZBKZOJIUKVJI-NSHDSACASA-N	315.295	1.707	50	20	DDGD	
O=C(C[C@H]1CCc2ccccc2C1)NNC(=O)[C@@H]1CCCO1	292169466	PODNJYRQDMKEET-WFASDCNBSA-N	302.374	1.508	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1c(F)cc(C(F)(F)F)cc1F	291543287	PHEGQVUEJWBANZ-UHFFFAOYSA-N	311.210	1.900	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1c[nH]nc1-c1ccsc1	295253243	AKRGQEUIPQXYKO-LLVKDONJSA-N	320.374	1.468	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12	808248802	SICPEUZQITYJTG-RDDDGLTNSA-N	311.234	1.703	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cc(C(N)=O)c[nH]1	805386542	FSJAJUCNEUCRBK-UHFFFAOYSA-N	303.278	1.087	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(-n2ccnc2)nn1)C1CCC1	805230873	CRZLJLDZHWBITN-JTQLQIEISA-N	301.354	1.477	50	20	DDGD	
COc1ncccc1C(=O)NNC(=O)Nc1cc(F)cc(F)c1	802002723	ZLGWIZWMAVDVGD-UHFFFAOYSA-N	322.271	1.835	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2csc(O)n2)cc1	802064880	FEAUUGSDVZDCRW-UHFFFAOYSA-N	308.319	1.324	50	20	DDGD	
Cc1noc(C)c1CSCC(=O)NNC(=O)c1ccncc1	298131767	FGTLMCFMCRQQRJ-UHFFFAOYSA-N	320.374	1.381	50	20	DDGD	
COCc1ccc(CNC(=O)NNC(=O)[C@H]2CCCCO2)cc1	296626316	QQTOGWHDWCQGCB-CQSZACIVSA-N	321.377	1.233	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@@H]1CCc2ccccc21	296574424	LXEBRKCIHFCBQC-KGLIPLIRSA-N	303.362	1.573	50	20	DDGD	
CC(C)C[C@H](C(=O)NNc1ncncc1F)N1CCCCC1=O	293971747	KJHLDRGQEFWRGD-GFCCVEGCSA-N	323.372	1.486	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H]2CCCCO2)oc2c1C(=O)CCC2	295584573	OQVAVGVCQNZCEV-LBPRGKRZSA-N	320.345	1.437	50	20	DDGD	
COCc1nc(C(=O)NN(C)C(=O)OC(C)(C)C)cs1	297753138	SPNRQAYDGYORSX-UHFFFAOYSA-N	301.368	1.801	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)[C@@H]1CCCCO1)c1ccc(C#N)cc1	296515911	ZQOXMIMZWUXJBE-RISCZKNCSA-N	316.361	1.519	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccccc1S[C@H](C)C(N)=O	801082545	ZNFAEUCYMIOYLY-SECBINFHSA-N	309.391	1.070	50	20	DDGD	
Cc1cccc(C2(C(=O)NNC(=O)N=c3cc[nH]cc3)CC2)c1	802027208	XAMZVHGKOUOYJJ-UHFFFAOYSA-N	310.357	1.696	50	20	DDGD	
C#CCN(C)CCCNC(=O)NNC(=O)Nc1ccccc1C	296714753	BQYHVZBASCDXPE-UHFFFAOYSA-N	317.393	1.286	50	20	DDGD	
C=CC(=O)NCc1ccc(C(=O)NNC(=O)OC(C)(C)C)cc1	299229480	ZCNJKWOPSQXILS-UHFFFAOYSA-N	319.361	1.658	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H]1CCC[C@H](C(N)=O)C1	805375560	PRKPKHQQCCONAZ-QWRGUYRKSA-N	320.349	1.638	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)[C@@H](C)CN2CCCCC2)on1	814763908	NQXRSAHTJPUZDQ-NSHDSACASA-N	322.365	1.033	50	20	DDGD	
CCn1nc(C)c(CC(=O)NN=c2cc[nH]cc2Cl)c1C	816125558	DMFGUHRVNHCQTF-UHFFFAOYSA-N	307.785	1.676	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)COc1cccc(C)c1	812445702	XCBJZFSQZYUCRR-STQMWFEESA-N	308.378	1.440	50	20	DDGD	
CCc1ccccc1-n1cc(O)c(C(=O)NN(C)CCOC)n1	816562093	YCKYAAXQHUPTHG-UHFFFAOYSA-N	318.377	1.363	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1ccncc1Cl	817322697	IKUBTIVEPMRJMK-LLVKDONJSA-N	324.812	1.544	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C#N)cc1)c1csnn1	814722093	JQSVVPRDVJLGDK-UHFFFAOYSA-N	301.331	1.329	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCC(C)CC1)c1csnn1	814763767	FYSLWWIKCAODMM-NSHDSACASA-N	309.439	1.746	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CC1(F)F	817433666	CRGPXTSNCQZDJP-AWEZNQCLSA-N	320.299	1.679	50	20	DDGD	
CCn1c(NNC(=O)c2ccc(C#N)o2)nc2ccccc2c1=O	814269788	GQQKEOXFMHQHRQ-UHFFFAOYSA-N	323.312	1.638	50	20	DDGD	
N#Cc1csc(C=NNC(=O)c2cc([N+](=O)[O-])ccc2O)n1	814858178	NVWGIOZRAIKJCL-UHFFFAOYSA-N	317.286	1.392	50	20	DDGD	
CN(C)c1cc(C#N)cc(C(=O)NNC(=O)CC(F)(F)F)c1	814407143	WMEBWOQJCSYYBK-UHFFFAOYSA-N	314.267	1.338	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1ccc(-c2n[nH]c(C3CC3)n2)cc1	816632946	GNAMCWRCOWNICV-UHFFFAOYSA-N	310.321	1.224	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2cccc(CO)c2)c1	813506912	UBQCVAPDZWVGGX-UHFFFAOYSA-N	302.721	1.856	50	20	DDGD	
CCNC(=O)NN=C(C)c1nnn(-c2ccc(C)cc2)c1C	814817621	PLJPQWVNRKJSKA-UHFFFAOYSA-N	300.366	1.927	50	20	DDGD	
Cn1ccnc1CNC(=O)NNC(=O)c1ccc2ccccc2n1	728752620	JOLVOVXYQHMODC-UHFFFAOYSA-N	324.344	1.113	50	20	DDGD	
N#Cc1ccc(C[C@@H](C#N)C(=O)NNc2ncncc2F)cc1	817080266	XXJIRGJINMSMLB-LBPRGKRZSA-N	310.292	1.313	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=S)NC1CCC1	814191856	OHQHZPIHTMJDPK-SECBINFHSA-N	311.382	1.641	50	20	DDGD	
O=C(O)CCNC(=O)NNC(=O)Cc1cccc2ccccc12	819492678	XSMRMFIPYMGEFQ-UHFFFAOYSA-N	315.329	1.187	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1	819126669	SXECPGSOMVFGML-OAHLLOKOSA-N	316.405	1.241	50	20	DDGD	
Cn1c(=NNC(=O)c2cc([N+](=O)[O-])c[nH]2)sc2ccccc21	727939672	VGLPMYMIZXLHQB-UHFFFAOYSA-N	317.330	1.722	50	20	DDGD	
Cc1ccc([C@@H]2C[C@H]2NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	827258625	BSIVLWOEIAPBKV-UQOMUDLDSA-N	317.389	1.606	50	20	DDGD	
Cc1c(C(=O)NN(C)[C@@H](C)CO)cnn1-c1ccc(F)cc1F	823971220	QSOJCYZFCGPVRZ-VIFPVBQESA-N	324.331	1.416	50	20	DDGD	
CCCN(NC(=O)[C@@H]1CCCN1C(N)=O)C(=O)OC(C)(C)C	495631667	ROALPDOKJUGPDQ-JTQLQIEISA-N	314.386	1.208	50	20	DDGD	
CC[C@@H](CC(C)C)C(=O)NNc1nc(O)c2cnn(C)c2n1	825827664	XVSFYLBXZIKARY-VIFPVBQESA-N	306.370	1.584	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1cc(Cl)nc(Cl)c1	496194046	FMVSZGIKYWCNIH-UHFFFAOYSA-N	321.164	1.968	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cccc(Cl)c1Cl	725386304	VDOJIILHLIZBFU-UHFFFAOYSA-N	302.161	1.968	50	20	DDGD	
COc1cc(F)cc(NNC(=O)/C=C/c2cnc(OC)nc2)c1	492701381	DJOGKZKLERWCCT-ONEGZZNKSA-N	318.308	1.789	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCCCCC(=O)O)cc(C#N)n1C	820945061	QWRHAHIMSCFAJP-QPEQYQDCSA-N	314.345	1.483	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCC(C)(C)C1=CCCC1	826942283	SESHASRDZNLODX-AAEUAGOBSA-N	309.410	1.878	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1n[nH]c2ccccc12	727867141	QVMJVMWPADWZSB-UHFFFAOYSA-N	303.391	1.472	50	20	DDGD	
CCOC(=O)[C@@H]1CCCN(C(=O)/C(C#N)=C\c2cnn(C)c2)C1	490967893	AONSSVUWKZFSDV-CRMJKIRDSA-N	316.361	1.129	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1nc(-c2ccccc2)cs1	495446856	ABJHGKLUCBOFIS-UHFFFAOYSA-N	320.330	1.136	50	20	DDGD	
N=[S@](=O)(O)c1ccc(C(=O)NNC(=O)c2ccc[nH]2)s1	729302891	ADUATXXHTFBPKW-UHFFFAOYSA-N	314.348	1.030	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNC(=O)c1ccccc1F)C(C)(C)C	822192622	UINXOBVASIPYCE-GFCCVEGCSA-N	309.341	1.138	50	20	DDGD	
CCn1ccc(NC(=O)NNC(=O)CCc2ccccc2)n1	824943703	REQUEXNCTSYRMA-UHFFFAOYSA-N	301.350	1.689	50	20	DDGD	
Cn1cc(-c2ncccc2C(=O)NNC(=O)C2CCCC2)cn1	821754742	QAYYTTOFZZGTHW-UHFFFAOYSA-N	313.361	1.433	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(C)nc3[nH]nc(C)c23)n1	725883835	QRFJCUKGGHEJIH-UHFFFAOYSA-N	313.321	1.130	50	20	DDGD	
COc1cccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)n1	826214768	WRQAZLNKCSMWPF-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
O=C(N[C@@H]1CCC[C@H]2CCCC[C@@H]21)c1cccc(B(O)O)c1	584993353	QKRUAMCHBPIXMW-UHOFOFEASA-N	301.195	1.455	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1sc(COCC)nc1C	822777707	OUYWUDPNDXZWPY-UHFFFAOYSA-N	314.411	1.732	50	20	DDGD	
COc1ccccc1C1(CNCc2ccc(B(O)O)o2)CCC1	585034903	NAEIVUUSPBRMLC-UHFFFAOYSA-N	315.178	1.180	50	20	DDGD	
CC(C)[C@H](CNCc1ccc(B(O)O)o1)Cc1ccccc1	585036945	PCTFTNDZXRLMKV-HNNXBMFYSA-N	301.195	1.564	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1C[C@H](C)C[C@H]1c1cccnc1	828868320	MDBJXRVRMNNMCH-OCCSQVGLSA-N	304.394	1.268	50	20	DDGD	
O=C(/C=C/c1ccc(-c2ccccc2F)s1)NCB(O)O	585060601	HNIDAYJBXGUVMP-SOFGYWHQSA-N	305.139	1.696	50	20	DDGD	
CSC[C@H](NCc1ccc(B(O)O)cc1)c1ccccc1	585028591	LSKKTJNMZQMZBI-INIZCTEOSA-N	301.220	1.560	50	20	DDGD	
CCOCC(=O)NN=C(C)CCCOc1ccccc1C(N)=O	731927195	BBWXYULLJBMKES-UHFFFAOYSA-N	321.377	1.473	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cc(F)c(F)cc1F	831436864	NAKSEOGMQGVSCG-BQBZGAKWSA-N	317.267	1.682	50	20	DDGD	
CO[C@@H]1COCC[C@H]1CNC(=O)NNc1cccc(C#N)c1	838657998	GQXRXVGEVXXKHK-GXTWGEPZSA-N	304.350	1.236	50	20	DDGD	
CC(=NNC(=O)[C@H](C)Oc1ccc(F)cc1)c1cnn(C)n1	834927714	FXGXABNMZGJFJC-JTQLQIEISA-N	305.313	1.262	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)NCc2cocn2)c1	730910152	GLWPNSOKJMTQKC-UHFFFAOYSA-N	318.333	1.201	50	20	DDGD	
CCn1cc(C=NNC(=O)[C@H](C)CN2CCC(C)CC2)cn1	732527998	CBNSPTBXCJYKSU-CQSZACIVSA-N	305.426	1.721	50	20	DDGD	
CN(Cc1ccc(C(=O)O)cc1)S(=O)(=O)CCCCl	737470451	AMPIPAWQBBJPSC-UHFFFAOYSA-N	305.783	1.775	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)NOCC1CC1	838603382	IAMYAVJKHLXLLI-UHFFFAOYSA-N	307.394	1.875	50	20	DDGD	
O=S(=O)(CCl)N1CCC(CO)(c2ccccc2)CC1	831622778	DOVDSYNHRNFZNS-UHFFFAOYSA-N	303.811	1.539	50	20	DDGD	
CO[C@H](C=NNC(=O)COc1cccc(C)c1)C1CCOCC1	834923020	UKGAWKLWDRUSTC-MRXNPFEDSA-N	320.389	1.917	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CC[C@@H](c3ccccc3F)C2)o1	585039950	XPKANVGXJRJNRW-NEPJUHHUSA-N	303.142	1.524	50	20	DDGD	
CCNC(=O)NN=C1CCS(=O)(=O)c2cc(F)c(F)cc21	731925618	NCLFBSJMCORBRK-UHFFFAOYSA-N	317.317	1.165	50	20	DDGD	
CC(=NNC(=O)Cc1csc(C)n1)c1c(C)nc(O)nc1O	839396183	WXSIDFIJFWRMHX-UHFFFAOYSA-N	321.362	1.044	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2C[C@H](c3ccc(Cl)cc3)C2)o1	585039075	NCRZJNSRBKVZIE-AULYBMBSSA-N	305.570	1.649	50	20	DDGD	
COc1ccc([C@@H](OC)[C@@H](C)NS(=O)(=O)CCl)cc1	831020914	XCOLQDZGCLDZJE-SKDRFNHKSA-N	307.799	1.887	50	20	DDGD	
Cc1ccc(C#N)cc1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	831382647	QDSKUWUBEGREDA-PWSUYJOCSA-N	302.334	1.444	50	20	DDGD	
CCc1cccc2c1N(C(=O)C(=O)NNc1ccncn1)CC2	835546398	SKIKVHKUWTXDAX-UHFFFAOYSA-N	311.345	1.071	50	20	DDGD	
CC(=NNC(=O)Cc1nc2ccccc2n1C)[C@H]1CCOC1	741758927	OMZJGAPUOGUSAT-LBPRGKRZSA-N	300.362	1.644	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1c(C)nc2sccn12	916355977	SFBHPMFRHLRTHV-UHFFFAOYSA-N	307.423	1.886	50	20	DDGD	
COc1ccc2c(c1)OCC[C@H]2NC(=O)NNC(=O)CC(C)C	743650687	WLEPWHVUPRMOEP-CYBMUJFWSA-N	321.377	1.895	50	20	DDGD	
O=C(CCn1cccn1)NNC(=O)c1cccc2cccnc12	747425299	FDNFBBPUWUMTAB-UHFFFAOYSA-N	309.329	1.283	50	20	DDGD	
COc1ccc2c(c1)C[C@@H](C(=O)NNC(=O)C1CCCC1)CO2	914843790	AYPOFMMTLMFANG-CYBMUJFWSA-N	318.373	1.584	50	20	DDGD	
CC(C)COc1cccc(C(=O)NNC(=O)N2CCOCC2)c1	745993210	ZVXKWVMWZFNGSF-UHFFFAOYSA-N	321.377	1.408	50	20	DDGD	
CC1=C(C(=O)NNc2ccc(F)cc2)[C@@H](C)n2nnnc2N1C	847315658	PCZAOOWGJPCFPB-SECBINFHSA-N	317.328	1.240	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)s1	748696581	LUTXDPPPVHXTFZ-UHFFFAOYSA-N	319.386	1.908	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)C(F)(F)C(F)F	749336251	JXODPSRCKAWEHN-UHFFFAOYSA-N	312.650	1.930	50	20	DDGD	
O=C(NC[C@H]1CCCN1)NNc1cccc(Br)n1	841937200	PAHSHVNKJMOTBL-MRVPVSSYSA-N	314.187	1.222	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1cnc2ccsc2c1	743469531	SDRHCWIIQOARJQ-UHFFFAOYSA-N	311.330	1.720	50	20	DDGD	
Cc1noc(CNS(=O)(=O)c2ccc(CCl)cc2)n1	388627239	JTIWLDWGRQXLQU-UHFFFAOYSA-N	301.755	1.595	50	20	DDGD	
Cc1ccc(Br)c(C(=O)NN(C)C[C@H](C)O)c1	910165735	LVOKZXZPUMSKSZ-VIFPVBQESA-N	301.184	1.715	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@H]1CCCCN1Cc1ccccc1	910164208	VVLFQHXBOGOEEO-ZBFHGGJFSA-N	305.422	1.385	50	20	DDGD	
Cn1cc(C=NNC(=O)Cc2ccncc2)c(-c2cccnc2)n1	747645823	KDHFLLKTVAMRJM-UHFFFAOYSA-N	320.356	1.570	50	20	DDGD	
Cn1cnc2cc(S(=O)(=O)NCCCSC#N)ccc21	916979325	KXDUBTVPGMGRNZ-UHFFFAOYSA-N	310.404	1.456	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCCc1ccc(F)cc1	848843502	QDSJUBICMZLLCK-LLVKDONJSA-N	324.352	1.638	50	20	DDGD	
NC[C@@H](NC(=O)NNc1nc2ccccn2n1)C1CCCCC1	841940175	PDFJSXJJTQQEEY-GFCCVEGCSA-N	317.397	1.263	50	20	DDGD	
Cc1ccc(C)c(OCCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	843641875	UVJAUXKNZQOITN-KGLIPLIRSA-N	320.389	1.645	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1csc(NC2CC2)n1	740749476	AGNCYWYNHHOTSC-UHFFFAOYSA-N	318.358	1.498	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)Cc1ccc(Cl)cc1)n1ccnc1	917362054	VHLYMJMOQJMPHS-LLVKDONJSA-N	320.780	1.878	50	20	DDGD	
CCCCSCC(=O)NNC(=O)COc1ccc(F)cc1	914460892	UIXNZBNLOTXYEP-UHFFFAOYSA-N	314.382	1.885	50	20	DDGD	
O=C(NNc1ccc(Cl)c(F)c1)[C@@H]1CCCS1(=O)=O	847603039	PRZHQRMNDOYAQV-JTQLQIEISA-N	306.746	1.499	50	20	DDGD	
Cc1cc(F)cc(C(=O)NNC(=O)COc2ccccc2O)c1	742654603	VUPDYDNWGPEWGJ-UHFFFAOYSA-N	318.304	1.680	50	20	DDGD	
O=C(Cc1cnccc1Cl)NNC(=O)NC1CCCCC1	847287271	QOPBNHFHZCJZQI-UHFFFAOYSA-N	310.785	1.941	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNc1ccnc(N(C)C)n1	740112447	JEYNZEHZFSSBSI-SNVBAGLBSA-N	319.340	1.592	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(NCC2CC2)nc1	843971058	OKZCMBYJUCLKHW-GXFFZTMASA-N	318.377	1.090	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(N(C)C)cc1F	843663802	YKYMRUGXUQUHCR-KOLCDFICSA-N	309.341	1.078	50	20	DDGD	
CC(C)Cc1nc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cs1	843649404	USVHGQPKPPKMGG-ZJUUUORDSA-N	311.407	1.528	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H]1CCCCN1Cc1ccccc1	746170566	JJGNJIUSFFAZKG-OAHLLOKOSA-N	318.421	1.782	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)N(C)C)c(Br)s1	847403487	WYIYQBOMVYUWHZ-UHFFFAOYSA-N	307.173	1.130	50	20	DDGD	
CCN[C@H](C)CNC(=O)NNC(=O)COc1ccc(C)c(C)c1	841985353	KEIWAPGZNVBZBE-CYBMUJFWSA-N	322.409	1.011	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NN=C2CCCn3ccnc32)c1	848407754	TVPUVLIYKINFSN-UHFFFAOYSA-N	312.333	1.164	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=C1CCS(=O)(=O)c2ccccc21	842560362	XFSTXHQSXSJZLB-GHMZBOCLSA-N	322.386	1.109	50	20	DDGD	
COCCn1cc(C(=O)OC[C@H](C)CBr)nn1	842120896	ZHYHERZPCBOMFX-MRVPVSSYSA-N	306.160	1.112	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CSc1ccc(C#N)cc1	843649611	VYSRGVYZZPFKLY-GWCFXTLKSA-N	319.386	1.223	50	20	DDGD	
CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NNc1cc(F)ccc1F	921726667	GNNQKKYVGYAVCD-ONGXEEELSA-N	312.320	1.506	50	20	DDGD	
CON(C)C(=O)[C@@H](C)NC(=O)NNc1ccc(Cl)cc1F	923478761	DPSKJNNTNBDNQN-SSDOTTSWSA-N	318.736	1.514	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)Nc2cccnn2)cc1	757660357	FZXJVLJSRQSJOI-UHFFFAOYSA-N	315.333	1.271	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)N[C@H]1COC[C@@H]1C	926017928	JDJHELKHSGKIAZ-IUCAKERBSA-N	313.789	1.914	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(N2CCCC2)nc1	929675085	ACXMWLNDUHCAJY-UHFFFAOYSA-N	315.377	1.638	50	20	DDGD	
CCc1ccc(C(=O)NN=C(C)CN2C(=O)CCC2=O)cc1	754913809	LECPZFLKXGMLGC-UHFFFAOYSA-N	301.346	1.504	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)oc1C	855831830	IYZKYXMUWQKPOG-UHFFFAOYSA-N	323.393	1.600	50	20	DDGD	
CC(C)n1ncc(C(=O)NNC(=O)c2ccc(Cl)nc2)c1N	757851814	QPVGNCCRRQRXTE-UHFFFAOYSA-N	322.756	1.169	50	20	DDGD	
CCO[C@H]1COCC[C@@H]1NC(=O)NNc1cc(F)ccc1F	921957783	UWECDGIBOLUIKZ-AAEUAGOBSA-N	315.320	1.785	50	20	DDGD	
Cn1ccc(C(=O)OC[C@H](CBr)C2CC2)cc1=O	859507580	NETKZBBEGWJYJO-NSHDSACASA-N	314.179	1.963	50	20	DDGD	
CCN(C)C(=O)[C@@H](C)NC(=O)NNc1ccc(F)cc1Cl	922157032	VCOWHHCMBYTPGV-MRVPVSSYSA-N	316.764	1.972	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)C2CCCC2)COc2ccccc2O1	858427849	JAGABMPDNBRUTP-INIZCTEOSA-N	304.346	1.554	50	20	DDGD	
CN1CCCC(=NNC(=O)c2cc([N+](=O)[O-])ccc2O)CC1	758116137	DMBDSLNTMUVVGT-UHFFFAOYSA-N	306.322	1.502	50	20	DDGD	
CC(=O)OCC(C)(C)CC(=O)NNC(=O)OCC(F)(F)F	856022177	STPYWQGTMIGZJG-UHFFFAOYSA-N	314.260	1.286	50	20	DDGD	
Cc1ccc(NNC(=O)NC2CCN([C@@H]3CCOC3)CC2)nc1	852636902	OWLHLCPPJBGKPO-CQSZACIVSA-N	319.409	1.269	50	20	DDGD	
CCn1ccc(CC(=O)NNc2cccc(C(=O)OC)c2C)n1	855623480	GIEZSTHRUNQIEH-UHFFFAOYSA-N	316.361	1.684	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(-c2csc(C)n2)c[nH]1	854928428	YTHGMANPWMSYRI-UHFFFAOYSA-N	309.420	1.528	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=O)OCC(F)(F)F)s1	856024083	HDMYLNNZGKXXEM-UHFFFAOYSA-N	311.285	1.947	50	20	DDGD	
CN(C)C[C@@H]1CCN(C(=O)NC[C@]2(C)C[C@@H]2Br)C1	856952985	NOINQJLJJYLDIV-GVXVVHGQSA-N	318.259	1.753	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(Br)cc1C	854925323	DPIJQHNDSXWHGP-UHFFFAOYSA-N	316.224	1.838	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(C#N)cc2F)o1	753084596	GXQCOMIZJPRYDP-UHFFFAOYSA-N	323.305	1.222	50	20	DDGD	
CCc1cccc2cc(C=NNC(=O)NCC(=O)OC)oc12	853331201	KPRXBWMYYJNGDN-UHFFFAOYSA-N	303.318	1.801	50	20	DDGD	
O=C(C[C@H]1CSCCS1)NNC(=S)NCC1CCC1	752294182	SVNBDROTGFBABG-JTQLQIEISA-N	319.521	1.521	50	20	DDGD	
C[C@@]1(CCNCc2cccc(B(O)O)c2)CC1(Cl)Cl	863889934	KPHIIPCHHUZGBJ-GFCCVEGCSA-N	302.010	1.430	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@@H]2C[C@]23CCOC3)cc1	763727329	CETBHDAVEGBPSJ-BBRMVZONSA-N	320.414	1.661	50	20	DDGD	
CCNC(=O)NC(=O)COC(=O)[C@@H](Br)C(C)(C)C	766749740	OOSJHLQMEKMZKC-MRVPVSSYSA-N	323.187	1.185	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)Nc3ccc(F)cc3)nc21	769934592	ROLRXOIIKTWSKY-UHFFFAOYSA-N	317.284	1.357	50	20	DDGD	
Cn1nc(C(=O)O)cc1C(=O)NC[C@@]1(C)C[C@@H]1Br	864058864	XWINIGRLMYNLIW-GZMMTYOYSA-N	316.155	1.022	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2CCOC3(CCOCC3)C2)nn1	769203505	RAHOCPYHGBIWIC-LBPRGKRZSA-N	321.381	1.139	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CCC(=O)c1ccc(Cl)cn1	768976727	ZUHUQRFBFHUZHK-UHFFFAOYSA-N	311.769	1.891	50	20	DDGD	
O=C(COC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)N1CCC1	869462092	PHUHTMHQDCBVMD-OUJBWJOFSA-N	316.195	1.716	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@@H]1CC[C@@H]2SCCS[C@@H]21	762627173	HHKGCEXQOISXAO-OUAUKWLOSA-N	315.464	1.497	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@H](C1CC1)[C@H](CO)C1CC1	867353374	STWZVYWIGZVJPQ-CHWSQXEVSA-N	323.886	1.968	50	20	DDGD	
C[C@H](CS(C)(=O)=O)NC(=O)[C@@H](Br)C(C)(C)C	768146729	SBVZKIGNRPTIOW-HTQZYQBOSA-N	314.245	1.345	50	20	DDGD	
CNC(=O)[C@H]1CCC[C@H]1NS(=O)(=O)CC(C)(C)CCl	867034622	XWSOWWLSYCYULR-VHSXEESVSA-N	310.847	1.086	50	20	DDGD	
CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NNc1ccccc1	866862688	BLHWJWFNYIAOAS-GFCCVEGCSA-N	309.366	1.405	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCCc2ccncc2)cc1	762664080	LVWWRXRXHFYWIO-UHFFFAOYSA-N	309.329	1.140	50	20	DDGD	
CC[C@H](C(=O)NNc1ccc(C(N)=O)nn1)C1CCC(C)CC1	764459056	SCKBZHPCLCKRBZ-MCIGGMRASA-N	319.409	1.871	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@H](OC)C(C)C)c1	769743290	NOEMSKMMHNOJDQ-CYBMUJFWSA-N	310.350	1.136	50	20	DDGD	
Cc1cc(C)c(CC(=O)NNC(=O)Cc2cc(C)[nH]n2)c(C)c1	869015121	NSXTTYQVAONHCF-UHFFFAOYSA-N	314.389	1.576	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)NNCC(F)(F)C(F)(F)F	863097918	WKYXWHYOUCYLLC-SVRRBLITSA-N	302.243	1.810	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)N1C[C@@H](CO)[C@H](CO)C1	862580592	KARYFXRPRVZXKV-RWMBFGLXSA-N	319.492	1.760	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)c1cc(C)[nH]n1)O[C@H](C)C2	764795101	MROLUXNFOGOJTD-SNVBAGLBSA-N	314.345	1.814	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)ccc1Cl	861201755	FGFVYCVZVDDWFR-JTQLQIEISA-N	310.741	1.080	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2c(C)nc3scc(C)n23)n[nH]1	764797112	MTYOSEKOFYGNFS-UHFFFAOYSA-N	302.363	1.808	50	20	DDGD	
C[C@@H](C(=O)NNC(=S)NCC1CCC1)N1[C@H](C)CC[C@H]1C	1118775849	JTJDELSEIUHCNW-UTUOFQBUSA-N	312.483	1.543	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)Nc1nc(C2CCC2)cs1	879480350	UZAAVLOQPQPZLS-UHFFFAOYSA-N	324.406	1.990	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(F)n2)c2nccn21	1118561566	NAJZHRVWWHCXMJ-WPRPVWTQSA-N	318.312	1.067	50	20	DDGD	
CC[C@@H](C(=O)NNC(=S)NCc1ccon1)c1ccccc1	764477446	ITYFIXKNTBONQM-CYBMUJFWSA-N	318.402	1.864	50	20	DDGD	
C[C@H](C(=O)NNC(=S)Nc1ccccn1)C(=O)OC(C)(C)C	874956078	KCHYXONGHQKAQX-SECBINFHSA-N	324.406	1.377	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12	875434129	AVGQXTAENRYLMU-IWSPIJDZSA-N	305.425	1.278	50	20	DDGD	
CC[C@@H](Cc1cccc(C)c1)C(=O)NNC(=O)N1CCOCC1	874248452	UYBHSVRHSMUEDY-HNNXBMFYSA-N	319.405	1.637	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)Cc2ccccc2F)n(C)n1	874447788	JPBUENYILCTEHM-UHFFFAOYSA-N	304.325	1.125	50	20	DDGD	
CCc1cccnc1C(C)=NNC(=O)[C@H](C)CN1CCOCC1	779760855	DHMVYIDGQMFJEE-CYBMUJFWSA-N	318.421	1.453	50	20	DDGD	
O=C(Cc1ccccc1CO)NNc1cccc([N+](=O)[O-])c1	779819237	JUBZBDJRBKNCME-UHFFFAOYSA-N	301.302	1.773	50	20	DDGD	
CS(=O)(=O)Cc1ccccc1NC(=O)NNc1ncccn1	775577489	OZVUHYPMWIJQHW-UHFFFAOYSA-N	321.362	1.170	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)CCCCN(C)C	873769549	PMRQAAKREIZBBP-UHFFFAOYSA-N	324.450	1.745	50	20	DDGD	
CCN1CCC[C@@H]1Cn1c(C)cc(C=NNC(=O)CO)c1C	776782098	LBTLXJJHESHTSO-OAHLLOKOSA-N	306.410	1.032	50	20	DDGD	
Cc1cc(C)c(/C=C/C=NNC(=O)CS(C)(=O)=O)c(C)c1	872393596	BWGZFZAXJVGZNX-SKSZPCMQSA-N	308.403	1.772	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)NOC1CCCCC1	779681822	ITIKSQQNIKDJJN-UHFFFAOYSA-N	322.321	1.803	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@@H](O)Cc1cccc(F)c1	882225369	PLYHJMZVPSQWCC-LBPRGKRZSA-N	309.790	1.277	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccc([N+](=O)[O-])c(O)c1	772833779	MDBJTOXKKUHJKD-UHFFFAOYSA-N	317.305	1.971	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)CCCC(F)(F)F)nc21	770758475	VMBHRACCFBMPMS-UHFFFAOYSA-N	318.259	1.245	50	20	DDGD	
COc1cc(C(=O)NNc2nccc3sccc23)nn1C	776146201	BOSZFUHYFTZVTB-UHFFFAOYSA-N	303.347	1.795	50	20	DDGD	
CC[C@H]1CCC[C@@H](C=NNC(=O)Cc2cc(O)nc(O)n2)C1	783849402	LCCNEDAKULPOTH-WDEREUQCSA-N	306.366	1.749	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2ccc(C)c(O)c2)n(C)n1	882051732	NUWMFWCDMRELKT-UHFFFAOYSA-N	302.334	1.071	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccc(NC(C)=O)c1C	785410002	PHGMEPZSZHTJMO-UHFFFAOYSA-N	306.366	1.698	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(CC)cc1O	787867690	QBOQEZBDISIDLZ-SECBINFHSA-N	308.334	1.057	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCCO[C@H]1CCCCO1	882211877	JGPGXBCCFJMBDC-NSHDSACASA-N	313.847	1.714	50	20	DDGD	
C[C@H]1C[C@H]1c1ccc(CNC(=O)NNC(=O)C2CCOCC2)o1	883155651	OFHMGMIQQBPAEX-GXFFZTMASA-N	321.377	1.660	50	20	DDGD	
Cc1cc(=O)n(C)cc1NC(=O)NNc1ncncc1Cl	782050796	PHNIJODQSJVRNV-UHFFFAOYSA-N	308.729	1.286	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)Cn2cccnc2=O)cc1	781041305	HUAOXVBNTSWGMU-UHFFFAOYSA-N	300.362	1.684	50	20	DDGD	
C[C@H]1CCCC[C@H]1OCCNS(=O)(=O)CBr	782417860	JPCDVYYSIZBTFI-VHSXEESVSA-N	314.245	1.854	50	20	DDGD	
C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NNc1ncncc1Cl	781005163	WJKDMIBKBMOPME-KWQFWETISA-N	310.789	1.239	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)NC[C@@H](C)C#N)cc1	781948549	BCKMJQKQVWWECL-NSHDSACASA-N	306.391	1.577	50	20	DDGD	
CCc1csc(NC(=O)C(=O)NNC(=O)c2ccccc2)n1	789722262	YIOODSOFXIOOML-UHFFFAOYSA-N	318.358	1.105	50	20	DDGD	
COc1cc(NC(=O)C(=O)NN(C)c2ccccc2)ccc1F	783433503	SUJGRINRRQPWNC-UHFFFAOYSA-N	317.320	1.940	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1csc(O)n1	792083406	FBOBHLZPBCOZRQ-UHFFFAOYSA-N	312.376	1.097	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2cc(Cl)cc(Cl)c2)CN1	791735393	ZYIGRAMNFWHKCJ-ZETCQYMHSA-N	302.161	1.963	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cccc3cccnc23)o1	794261807	QKBIOHJWORBOEN-UHFFFAOYSA-N	306.281	1.774	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)N(C)C)c2ccccc2n1	799009208	PQHFSCAREWDDED-NSHDSACASA-N	300.362	1.254	50	20	DDGD	
O=C(CO)NNC(=O)Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1	799451806	DJGSEWPUOZHZLQ-CIUDSAMLSA-N	310.379	1.192	50	20	DDGD	
COc1ccc(OCC(=O)NN=C(C)c2ccc(O)nn2)cc1	790143616	PLWGQFYEZKDCEG-UHFFFAOYSA-N	316.317	1.110	50	20	DDGD	
COc1ccc(Cl)cc1CCNC(=O)NNC(=O)C(C)C	1318756383	CXIOHZGOIGIPMG-UHFFFAOYSA-N	313.785	1.878	50	20	DDGD	
Cc1ccn(-c2cccc(C(=O)NNc3nccn(C)c3=O)c2)n1	1318975158	YOWRFIVJMSZLKL-UHFFFAOYSA-N	324.344	1.031	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccnc(OC2CCC2)c1	1326646019	CAFTXLWOSAVKRG-ZWNOBZJWSA-N	319.361	1.199	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)C[C@@H]2CCCC(=O)N2)nn1	1324414418	UPDSOAGFPSXZOU-JTQLQIEISA-N	305.382	1.276	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H]1CCCCN1Cc1cccc(C)c1	1321887060	QPOAAMPIHKXSJJ-OAHLLOKOSA-N	318.421	1.700	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)[C@]1(F)CCOC1	1322850410	MSUBPVYQULNFNX-KRWDZBQOSA-N	316.332	1.658	50	20	DDGD	
COC1(C)CCN(C(=O)NNC(=O)c2cc(C)cs2)CC1	1331536319	CWKKJGIAUNYHFZ-UHFFFAOYSA-N	311.407	1.912	50	20	DDGD	
NOCCCNC(=O)NNc1ccc(F)cc1Br	1336255629	MEIUTGZXMRUXSR-UHFFFAOYSA-N	321.150	1.495	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)Nc2ccccn2)C[C@@H]1Br	1337411643	AZFYDDFEDCEFEK-UFBFGSQYSA-N	312.167	1.310	50	20	DDGD	
Cc1nc(C(C)C)nc(O)c1C(=O)NNC(=S)NC(C)C	1339851301	JIGXFITWQFDNFW-UHFFFAOYSA-N	311.411	1.131	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1[nH]nc(C(F)(F)F)c1C	1262643371	NFLIYJMYWHUSIT-UHFFFAOYSA-N	302.256	1.301	50	20	DDGD	
Cc1nc(NC(=O)NNC(=O)CCO)ccc1-c1ccccc1	1347341387	MWOTYQNNLLGHQA-UHFFFAOYSA-N	314.345	1.592	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N=c2cc[nH]cc2)nc2ccccc12	1344706511	VMGJMCSRBNHVGI-UHFFFAOYSA-N	321.340	1.827	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)/C=C\c2cncc(F)c2)cc1	1262410823	QZKSROKGEJFHPP-UQCOIBPSSA-N	315.304	1.704	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)NC/C=C/C2CC2)cc1	1344554065	QWMGHCYCZHDKDV-NSCUHMNNSA-N	319.361	1.371	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2CC[C@H]3C[C@@H](C)CN3C2)n1	1346610818	AKJNQEWOQQDTHN-RTXFEEFZSA-N	319.409	1.357	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)NC[C@@H]2CCOC2)cc1	1341263426	SCTJURUVVFMMPY-NSHDSACASA-N	321.381	1.125	50	20	DDGD	
C[C@H](CC(=O)O)CC(=O)NNc1ccc(S(C)(=O)=O)cc1	1609733207	FQNBWWUQYQVOLG-VIFPVBQESA-N	314.363	1.034	50	20	DDGD	
O=C(CCOC[C@@H]1CCCO1)NNc1cccc(C(=O)O)c1	1601281268	JLOHJAPJUXEWEY-ZDUSSCGKSA-N	308.334	1.414	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCc2ccccc2CC(=O)O)cn1	1600945517	HDBQAPTYUMITAW-UUASQNMZSA-N	324.340	1.271	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cc(COC)cc(C(=O)O)c1	1604919674	XSVOCQQQGQIVKE-SECBINFHSA-N	323.349	1.730	50	20	DDGD	
Cc1ccc(NNC(=O)Nc2ccc(C(=O)O)nn2)cc1F	1600461246	GLXIAVGQVYHBEF-UHFFFAOYSA-N	305.269	1.771	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1ccccc1F	1549318248	ATKKRDOUCUKZKY-MLGOLLRUSA-N	319.380	1.919	50	20	DDGD	
O=C(NC[C@H]1CCCCN1)NNc1ccc(C(=O)O)cc1F	1610692475	ONOSFYPQMZFTKE-SNVBAGLBSA-N	310.329	1.292	50	20	DDGD	
COc1ccc(C)cc1C=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549318393	PMFFDAYEXQWFKD-GOEBONIOSA-N	317.389	1.317	50	20	DDGD	
O=S1(=O)C[C@H](Br)[C@H](OCc2ccccc2)C1	158127153	VUZKVLUMQRDYJE-WDEREUQCSA-N	305.193	1.764	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1cc(Cl)cc(C(=O)O)c1	1610700907	XBRHXMYLZURRQJ-UHFFFAOYSA-N	322.708	1.833	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1ccc(C)s1	1549316415	RVHAZYTYGXRWPB-CHWSQXEVSA-N	307.419	1.760	50	20	DDGD	
Cn1cc([C@H]2OCCC[C@H]2C=NNC(=O)c2cccnc2)cn1	1552448525	UFBVVJZSMKIABB-WFASDCNBSA-N	313.361	1.699	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)COC)C1	1841663746	KIAZOPZOYUCWGG-RYUDHWBXSA-N	316.829	1.490	50	20	DDGD	
CC(C)(C)[C@H](C(=O)O)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	1588633241	GCRKBUVEPQLZDD-JTQLQIEISA-N	323.305	1.103	50	20	DDGD	
Nc1cnnc(NNC(=O)C[C@H](N)Cc2ccccc2)c1Cl	1580466164	FKBZHHNYNWDLGS-SNVBAGLBSA-N	320.784	1.115	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccoc2)ccc1-c1nn[nH]n1	1591523112	PFKLGVIUKZTFSC-UHFFFAOYSA-N	312.289	1.232	50	20	DDGD	
N#CC1(C(=O)N2CC3(CCCN3C(=O)C(Cl)Cl)C2)CC1	1846387405	SERUAQWRCKFIMF-UHFFFAOYSA-N	316.188	1.297	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)NCC(=O)O)CCS2	1599625300	HEPHOIQOPIWYGZ-UHFFFAOYSA-N	309.347	1.279	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)NC1CCC=CCC1	1593164494	JPXRGCGVXAVPBH-UHFFFAOYSA-N	314.353	1.387	50	20	DDGD	
Cc1cscc1C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1592324325	GJQDJDLESGYNRV-UHFFFAOYSA-N	301.335	1.389	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@]1(C(=O)O)C[C@H]1C	1594146116	QSOWBJJFJODJIM-CLAHSXSESA-N	323.374	1.124	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NNc1ccc(C(=O)O)c(F)c1	1594303576	XYHGXNOUZIMYOO-NXEZZACHSA-N	309.341	1.840	50	20	DDGD	
CCOCC(=O)NN=Cc1ccc(OCC(=O)O)c(OCC)c1	1776043909	MMUJRXSSHNNDTE-UHFFFAOYSA-N	324.333	1.035	50	20	DDGD	
COc1cc(C=NNC(=O)c2cnsn2)ccc1C(=O)O	1776105182	RIUYNIPDZJOGLU-UHFFFAOYSA-N	306.303	1.009	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccon1)[C@@H](F)Cl	1795301056	JXALZEKAZHHQNC-PKIKSRDPSA-N	315.732	1.461	50	20	DDGD	
CNC(=O)COC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	5180756	CGNYLILNRJFOSN-VIZOYTHASA-N	317.389	1.957	50	20	DDGD	
COc1ccc(C(=O)NNc2cccc(C)c2)cc1-n1cnnn1	161875515	MOAXOOUHBLKTDK-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1ccccc1-n1cnnn1	160678218	VBRPSFNGFHDNFS-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
Cc1oc2nc[nH]c(=O)c2c1C(=O)NNc1ccccc1F	152868467	DLEXDTYIWYXTMA-UHFFFAOYSA-N	302.265	1.721	50	20	DDGD	
Cc1cc(C)cc(CCC(=O)NNC(=O)c2cc(C)n[nH]2)c1	153902938	DCZNSVQFJAOCOW-UHFFFAOYSA-N	300.362	1.729	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)C2(C#N)CCOCC2)n1	155707969	OMVRKXRPHWTHAA-UHFFFAOYSA-N	318.381	1.086	50	20	DDGD	
COc1cccc(CCC(=O)NNc2ncnc3nc[nH]c23)c1	156288207	AQWZGUALGBJJFY-UHFFFAOYSA-N	312.333	1.437	50	20	DDGD	
CCCC(=O)N1CCC[C@H]1C(=O)NNc1ccc(OC)cn1	159080794	ZNEOPXWYQYZVKT-LBPRGKRZSA-N	306.366	1.324	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)c2ccc(CCCl)cc2)C[C@H]1O	388056505	PJGIEJLMVZSKCJ-ZWNOBZJWSA-N	303.811	1.469	50	20	DDGD	
CSSCCNS(=O)(=O)c1ccc(CC(=O)O)cc1	397983493	SKTPCNKJJJYKPS-UHFFFAOYSA-N	321.445	1.603	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccccn1	6208641	GWKAFIZSGDXHSS-SNVBAGLBSA-N	303.293	1.449	50	20	DDGD	
O=C(CC[C@H]1CCCO1)NNC(=O)Cn1ccc2ccccc21	104631313	LCOOPCYFSJBYLA-CQSZACIVSA-N	315.373	1.748	50	20	DDGD	
Cc1cc(NC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)n(C)n1	56081026	FMLHDRWSJIARFP-MLPAPPSSSA-N	308.345	1.793	50	20	DDGD	
CC(C)(C)NCC(=O)NNC(=O)c1ccc2ccccc2n1	51341217	JTVRJLOKOWHKSD-UHFFFAOYSA-N	300.362	1.384	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cc(C#N)cs2)cc1	177404890	OVSZLPGLHKMQAG-UHFFFAOYSA-N	315.354	1.768	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1	119221635	KCTMIFAHVYSRJK-UHFFFAOYSA-N	317.099	1.530	50	20	DDGD	
O=C(NNc1ncccn1)c1ncccc1OCC(F)(F)F	175717849	INOHNWJVARRQFE-UHFFFAOYSA-N	313.239	1.570	50	20	DDGD	
C[C@@H](O)CC(C)(C)CNC(=O)NNC(=O)CCc1ccccc1	175561301	OZRGHNLSLRTAJG-CYBMUJFWSA-N	321.421	1.747	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)[nH]n1	28872292	DHHKKGHKIFZROT-VIFPVBQESA-N	320.324	1.340	50	20	DDGD	
O=C(NNc1cccnn1)c1ccc(OC[C@H]2CCCO2)cc1	172371220	CKLNBDBPPCGJMS-CQSZACIVSA-N	314.345	1.791	50	20	DDGD	
Cc1noc(CCC(=O)NNC(=O)CCCc2ccccc2)n1	170808107	MNKOFCRFTQKQGD-UHFFFAOYSA-N	316.361	1.481	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc3c(c2)CCO3)cc1	61464148	PWHOBYBPVQAILY-UHFFFAOYSA-N	307.309	1.568	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CNC(=O)CCC(C)C)s1	171191113	CRUYYOMUXVECIF-UHFFFAOYSA-N	311.407	1.370	50	20	DDGD	
O=C(NNc1ncccn1)NC1CCN(C2CCCC2)CC1	176032134	LEIGQPKZHNJNPN-UHFFFAOYSA-N	304.398	1.510	50	20	DDGD	
C[C@@H]1CSCCN1C(=O)NNC(=O)c1ccc(C#N)cc1	172368144	KYKZXDLLXPHBHT-SNVBAGLBSA-N	304.375	1.350	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)c1ccc[nH]1	116165747	XNQJQXNRHZANAB-RKDXNWHRSA-N	305.284	1.858	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2N)o1	188289055	MVOIGMJVQONKCF-UHFFFAOYSA-N	304.262	1.153	50	20	DDGD	
C#CCNC(=O)NNC(=O)c1ccc(-n2c(C)ccc2C)cc1	79264641	MDTIEKLAFGIXLL-UHFFFAOYSA-N	310.357	1.671	50	20	DDGD	
O=C(NNC(=O)c1c[nH]nc1-c1ccsc1)c1ccncc1	186903045	VOKDCLSQUYQRJD-UHFFFAOYSA-N	313.342	1.608	50	20	DDGD	
OCCN(C[C@H](CBr)C1CC1)C1CCOCC1	859268569	BHVRRCQEVZQTPT-LBPRGKRZSA-N	306.244	1.881	50	20	DDGD	
O=C(NNC(=O)c1ccnc(F)c1F)c1cccc([N+](=O)[O-])c1	188807941	KBLYWNHBAIOFNT-UHFFFAOYSA-N	322.227	1.343	50	20	DDGD	
CCCc1csc(NC(=O)NNC(=O)c2cc(C)n[nH]2)n1	184023058	JTXMQGGAPXFEHI-UHFFFAOYSA-N	308.367	1.594	50	20	DDGD	
Cn1nccc1NC(=O)C(=O)NNc1cccc2c1CCCC2	189215758	USIYMJFJSKBSSU-UHFFFAOYSA-N	313.361	1.381	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)n1	127967066	VLXKDIABAKWOCB-RYUDHWBXSA-N	304.398	1.345	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCc1ccco1	73117469	HGYDORPQIUYTAG-SNVBAGLBSA-N	321.308	1.717	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)Nc1ccc(F)cn1	122524204	VIXSDOWEFAUQJN-UHFFFAOYSA-N	318.308	1.712	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	123554641	DZZPVWPOPFAXCD-AXTRIDKLSA-N	323.784	1.714	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCC1(CO)CCOCC1	183721679	ARFHNWTZLZWCRD-ZROIWOOFSA-N	318.348	1.638	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1c(C)oc2ccccc12	185601284	QXSZRGMSGQJSTJ-UHFFFAOYSA-N	305.334	1.608	50	20	DDGD	
C[C@@H]1CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)[C@@H](C(N)=O)C1	194881052	TXBJUYDOVYCNHZ-PEZBLYKWSA-N	313.357	1.412	50	20	DDGD	
O=C(CCc1c[nH]c2ccccc12)NNC(=O)N1CCOCC1	194903681	DNGIAWAIPLEHHB-UHFFFAOYSA-N	316.361	1.174	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)NCCC(C)C	42907096	LYYFQEYHIQXFAZ-UHFFFAOYSA-N	323.393	1.841	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12	246487421	BEWYTZGAURTNMA-SDADXPQNSA-N	313.401	1.994	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NNC(=O)c1ccc2ccccc2n1	255506728	CTPQGQGCCONQKP-BENRWUELSA-N	310.313	1.440	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cn2cc(Cl)ccc2n1	255710882	XGPWSXGPMWPWEF-UXBLZVDNSA-N	304.737	1.657	50	20	DDGD	
CC(C)(C)OC(=O)NCC(C)(C)C(=O)NNc1cnccn1	268206427	HBIRLCRAKAVAMO-UHFFFAOYSA-N	309.370	1.471	50	20	DDGD	
CCCNC(=O)c1cccc(C(=O)NNC(=O)C2CCC2)c1	265874744	IRFYBIPXZWAOSG-UHFFFAOYSA-N	303.362	1.388	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCN1Cc1ccccc1)C1CCC1	266823363	IZFCWTYLLRWVPF-INIZCTEOSA-N	315.417	1.989	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1ccc(F)cc1F	267156259	PJUKTLMNZJIPCR-MRVPVSSYSA-N	317.292	1.169	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCN2C(=O)OC[C@H]2C1	363857577	CRKOZTIZUPXUSQ-WEKMIXOTSA-N	315.304	1.396	50	20	DDGD	
COc1ccc(NNC(=O)NC2CCC(NC(C)=O)CC2)nc1	275911727	DPJXFDUWBUZJQQ-UHFFFAOYSA-N	321.381	1.164	50	20	DDGD	
O=C(Cc1ccc2[nH]ncc2c1)NNC(=O)NC1CCCCC1	279580313	GSYSNPRGMGPIKM-UHFFFAOYSA-N	315.377	1.769	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1c(F)cccc1F	274134513	ACXVTIGVVAARBR-UHFFFAOYSA-N	315.276	1.459	50	20	DDGD	
C[C@@H](NC(=O)[C@@H](Br)C(C)(C)C)c1ncn(C)n1	275657496	VCCKNNHLLCIYMS-HTQZYQBOSA-N	303.204	1.802	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)C(F)(F)C1(O)CCCC1	278542353	GATSWQOHMHCZQR-UHFFFAOYSA-N	312.316	1.696	50	20	DDGD	
CN1C(=O)C[C@@H](NC=C(C#N)C#N)[C@H]1c1ccc(F)c(F)c1	270638476	XHJIRCSXKOGCBQ-UKRRQHHQSA-N	302.284	1.757	50	20	DDGD	
CCCCC(=O)N1CSC[C@@H]1C(=O)NNc1ncccc1C	276707399	JMSCFURVJLAERF-GFCCVEGCSA-N	322.434	1.925	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1COc2ccccc21	276626044	VIKWMMNJCWPHKP-LBPRGKRZSA-N	322.361	1.099	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(OCCC(N)=O)cc1	273598268	RHUZRNHRTFPWQV-JTQLQIEISA-N	322.365	1.140	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC(c2c(F)cccc2F)=NO1)C1CCC1	279318998	BQDHEGMOGVNBLZ-GFCCVEGCSA-N	323.299	1.405	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CCc1cnn(C)c1C	270200024	FUUFRSBWKVQKGT-UHFFFAOYSA-N	300.362	1.431	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@H]1CCCN1c1ccccc1	375729694	GKPSNCOKUGOOJR-CQSZACIVSA-N	322.372	1.841	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H](C)CNC(=O)OC(C)(C)C)n1	285875704	RYAGYIJMAXPYLR-JTQLQIEISA-N	324.381	1.694	50	20	DDGD	
COC(=O)c1cc(S(=O)(=O)NCCSSC)c[nH]1	284714937	QUUJYQLJLXRWLY-UHFFFAOYSA-N	310.422	1.091	50	20	DDGD	
O=C(C[C@H]1CCCC(=O)N1)NNc1ncc(Cl)cc1Cl	290593674	VLTRRMDTGZSECL-MRVPVSSYSA-N	317.176	1.890	50	20	DDGD	
COc1ccc(-c2ocnc2C(=O)NNc2cccnn2)cc1	809686750	JZCFVDWSWHYOIA-UHFFFAOYSA-N	311.301	1.897	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cccc(N2CCCC2=O)c1	294325623	YOFAJMZSDZISAH-UHFFFAOYSA-N	301.346	1.375	50	20	DDGD	
COCCc1ccnc(NC(=O)NNC(=O)c2ccccn2)c1	806657835	MIHUUHBCKHXORO-UHFFFAOYSA-N	315.333	1.132	50	20	DDGD	
CC(=O)N1CCC(C(=O)NNc2ccc([N+](=O)[O-])cc2C)CC1	805385153	XVPJHYXTAYRGKN-UHFFFAOYSA-N	320.349	1.605	50	20	DDGD	
Cc1nc(Cl)ccc1NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	296942080	BPKLNGHIKARSPS-XVKPBYJWSA-N	312.757	1.764	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cn(C)nc2C(C)(C)C)O1	293983728	TVHZQEPKLVXXTQ-ONGXEEELSA-N	308.382	1.046	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNc1ccc(-n2ccnc2)nn1	804957937	XZYXAWHFGGBSRH-ZWNOBZJWSA-N	304.354	1.167	50	20	DDGD	
COc1ccc([C@H](C)CC(=O)NNC(=O)[C@H]2CCCCO2)cc1	295581423	OIHBJKCERVAGLU-IUODEOHRSA-N	320.389	1.905	50	20	DDGD	
COc1cc(CC(=O)NN(C)C(=O)OC(C)(C)C)ccc1O	297420565	YJWTVNMHHTUNLE-UHFFFAOYSA-N	310.350	1.841	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccc3cncn3c2)cc1	806364808	ABZYQYGHPBIJQH-UHFFFAOYSA-N	323.356	1.516	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)[C@H](C)Oc1ccccc1F)C1CC1	290967552	OGABKKHXILYZTI-MGPLVRAMSA-N	324.352	1.556	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@H]1c1cccnc1	805749480	YEZMUGHFGCTFGO-ZDUSSCGKSA-N	304.394	1.412	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@@H]1OC[C@H]2COCC[C@H]21	291356681	SUJCCNNJIGMLJL-OASPWFOLSA-N	307.306	1.089	50	20	DDGD	
O=C(NC[C@@H]1CCN(c2ccccc2)C1)NNc1ccncn1	296511756	ZKNKOPAMLUCYIL-ZDUSSCGKSA-N	312.377	1.629	50	20	DDGD	
Cn1ccnc(NNC(=O)CCCc2ccccc2Cl)c1=O	290411825	UMJAUAQHSGQLFZ-UHFFFAOYSA-N	320.780	1.900	50	20	DDGD	
COC(=O)c1ccc(C)c(NC(=O)NNC(=O)[C@@H]2CCCO2)c1	291696106	DWTIYYJDRLVCJH-LBPRGKRZSA-N	321.333	1.113	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2cccc(Cl)n2)[C@@H]1OC	814321927	ULYKVTRBXHNATA-LNLATYFQSA-N	314.773	1.554	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2conc2Cc2ccccc2)n[nH]1	814786918	HPFUXJGXLHIAAU-UHFFFAOYSA-N	323.356	1.990	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2CC[C@H](C(=O)O)[C@H](C)C2)n1	814753340	UJZHOGWYXRWUPS-RNCFNFMXSA-N	306.366	1.493	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C(C)(C)OC(C)=O)ccc1C	816689289	BEQRUJBMDZAOFF-UHFFFAOYSA-N	308.334	1.566	50	20	DDGD	
COc1ccc(NC(=O)NN=Cc2c[nH]c(C(=O)O)c2)cc1	814997873	JMYHLICDDCFFMR-UHFFFAOYSA-N	302.290	1.877	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)Nc1ccc(OC)cc1	813576762	ZXGHVXHMDAXHIB-WDEREUQCSA-N	309.366	1.767	50	20	DDGD	
O=C(NNc1cccc(F)c1F)c1cc(Cn2cccn2)on1	815857309	XSYWYLCZVCHKBG-UHFFFAOYSA-N	319.271	1.955	50	20	DDGD	
Cc1ccoc1C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	812729623	SBADUYHNPBRTOU-UHFFFAOYSA-N	323.374	1.595	50	20	DDGD	
COCCN(C)NC(=O)c1ncccc1OCC(F)(F)F	816562614	RVWIMHVSKQSQOS-UHFFFAOYSA-N	307.272	1.246	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CC1CC1)c1ccc([N+](=O)[O-])cc1F	819132100	ZFQUWHSDIUMJTC-MRVPVSSYSA-N	309.297	1.785	50	20	DDGD	
CC(C)N1CCC[C@H](CNC(=O)NNC(=O)CC(F)(F)F)C1	729619496	SSRCSNKHWYNEAC-SNVBAGLBSA-N	324.347	1.390	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)CCC(C)=O)cc1F	727498547	CEVGBXWAPNDLQA-UHFFFAOYSA-N	313.354	1.521	50	20	DDGD	
CC(C)CC(CC(C)C)=NNC(=O)[C@@H](C)NS(C)(=O)=O	728435444	AXPFNLCLVPKRRI-LLVKDONJSA-N	305.444	1.489	50	20	DDGD	
CCN(CCNC(=O)NNC(=O)Cc1ccc(F)cc1)C(C)C	726713581	ILVLXXYSHIEMNL-UHFFFAOYSA-N	324.400	1.429	50	20	DDGD	
CCCN(NC(=O)c1c(C)nc(N)nc1C)C(=O)OC(C)(C)C	495694352	AOQDXVHITAMAHI-UHFFFAOYSA-N	323.397	1.968	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)OCCCS(C)(=O)=O)c1	728616616	BIQHVZDWGMZOHC-UKTHLTGXSA-N	323.370	1.580	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C1CC1	496840684	QNKQBNBVWJGAKG-VIFPVBQESA-N	315.370	1.504	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(C(=O)O)c(C(=O)OC)c1	829817920	NNGYQEVYNMVJRV-CMDGGOBGSA-N	318.285	1.554	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)C[C@@H]1CCCCC1(F)F	496826241	FRFADCSANCOVKV-QMMMGPOBSA-N	300.327	1.345	50	20	DDGD	
CCN(CCO)NC(=O)c1nc(C)ccc1Br	823376792	JQUBBYVSMPDOPC-UHFFFAOYSA-N	302.172	1.112	50	20	DDGD	
COc1cccc([C@H](OC)C(=O)NNc2nccc(OC)n2)c1	821482411	ZCTPMVFPMDYIIQ-ZDUSSCGKSA-N	318.333	1.325	50	20	DDGD	
CCN(CCO)NC(=O)c1cccc(Cn2nc(C)cc2C)c1	823852611	LCJFCWRWUGQYBL-UHFFFAOYSA-N	316.405	1.507	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CSc1ccc(C)cc1	822210259	SYBXPUFKNJEUQJ-KGLIPLIRSA-N	320.414	1.826	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(CN(C(C)=O)C2CC2)cc1	491463516	LZECCTLIWQXUFJ-UHFFFAOYSA-N	320.349	1.590	50	20	DDGD	
COc1cc(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)ccc1C	825891549	ZGSKGJBHYNBVLN-WCQYABFASA-N	321.377	1.259	50	20	DDGD	
CC(C)(C)OC(=O)NCC1(CC(=O)NN=c2cc[nH]cc2)CC1	495894260	NTXQSKZCMSODHU-UHFFFAOYSA-N	320.393	1.642	50	20	DDGD	
O=C(c1ccccc1OS(=O)(=O)CCl)N1CCOCC1	829834170	QVWSMKJFVQOXBJ-UHFFFAOYSA-N	319.766	1.064	50	20	DDGD	
Cc1nnc(CCC(=O)NC[C@]2(C)C[C@@H]2Br)o1	824805760	XPMLBRCFZYKCFK-KWQFWETISA-N	302.172	1.600	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CC[C@H](O)[C@H](C)C2)cc(C#N)n1C	490909366	NDDALZBTVREWSN-GTCUHMIMSA-N	312.373	1.341	50	20	DDGD	
CN(C[C@](C)(O)c1ccccc1)C(=O)NNC(=O)C1CCCC1	826623891	JMARSHDTTOVUGA-KRWDZBQOSA-N	319.405	1.757	50	20	DDGD	
C[C@H](CNC(=O)/C(C#N)=C\c1cnn(C)c1)CN1CCCC1	491049072	MFXVMHCCDRRSKN-QVYJARAXSA-N	301.394	1.175	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1	492201510	QQFXMYGVURJCJK-UHFFFAOYSA-N	321.742	1.136	50	20	DDGD	
CN1CCCc2cc(NC(=O)NNC(=O)c3cc[nH]n3)ccc21	820477422	PRBQIKAAZSCHED-UHFFFAOYSA-N	314.349	1.259	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cc(F)c(OC)cc1F	901854290	HTCQFFWWNXKDFI-ZETCQYMHSA-N	322.333	1.329	50	20	DDGD	
OB(O)c1ccc(CNCCCc2cc(F)cc(F)c2)c(F)c1	585035768	XUBHJTYQNHRLCI-UHFFFAOYSA-N	323.123	1.506	50	20	DDGD	
C=CCOC[C@H](NC(=O)[C@@]1(C)C[C@H]1Br)C(=O)OC	907929701	LFBWAKDXCCKXKZ-SBMIAAHKSA-N	320.183	1.020	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NNc1ccc(F)cn1	731499909	PKIALUDUPVHKQO-UHFFFAOYSA-N	319.296	1.200	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2	494539174	LXXGECWXAHZOCO-DCAQKATOSA-N	311.382	1.095	50	20	DDGD	
C[C@@H](COc1ccc(F)cc1F)NCc1ccc(B(O)O)cc1	585017805	AMUSGTDBUNVMSJ-NSHDSACASA-N	321.132	1.202	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1cccc2c1OCO2	836501057	FFDLIWCUAWKJBO-LLVKDONJSA-N	307.306	1.137	50	20	DDGD	
CN(C)Cc1cc(NCc2ccc(B(O)O)cc2)ccc1Cl	585039334	QKKRLKPTDVKNFH-UHFFFAOYSA-N	318.613	1.694	50	20	DDGD	
C#CCCCC(=O)NN=Cc1ccc(N2CCOCC2)s1	901321514	VENXRFBGDNRVDC-UHFFFAOYSA-N	305.403	1.838	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)ncn1	734254726	VNDVDGLLJATGGZ-GFCCVEGCSA-N	311.345	1.281	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@@H]1C[C@H]1OC(C)(C)C	830331313	BGIRLVROOLDDAK-ZIAGYGMSSA-N	304.390	1.889	50	20	DDGD	
O=C(c1nc(-c2ccccc2)cs1)N1CC[C@H](B(O)O)C1	585066489	PBIDJDKCDWHNBA-NSHDSACASA-N	302.164	1.499	50	20	DDGD	
CC[C@@H](NC(=O)NNc1ncc(F)cc1F)[C@H]1CCCO1	838535032	LLDFROWQTCPRMN-GHMZBOCLSA-N	300.309	1.944	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(C)nc3c2c(C)nn3C)ncn1	734254579	RGINVTNMDDSTSZ-UHFFFAOYSA-N	311.349	1.440	50	20	DDGD	
CCc1nc(CCNCc2ccc(B(O)O)cc2F)sc1C	585020433	XGKJLIMWVAJSBQ-UHFFFAOYSA-N	322.214	1.165	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N(CC1CCCCC1)C1CC1	584932103	GNLQRYACKYEWLL-UHFFFAOYSA-N	301.195	1.551	50	20	DDGD	
CC(C)N(C)Cc1cccc(CNCc2ccc(B(O)O)o2)c1	585033124	YFJVUUUYHGWJCL-UHFFFAOYSA-N	316.210	1.089	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)Cn1cc(C(C)=O)nn1	831243677	UQWMQKZCNKWNKF-UHFFFAOYSA-N	301.350	1.495	50	20	DDGD	
O=C(CCCC(=O)NCC(Cl)Cl)NCC(Cl)Cl	837648852	MFDJDUODVCKZGK-UHFFFAOYSA-N	324.035	1.997	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC[C@H]2CC2(C)C)cc1	732892634	GGLWZIKYUCQALM-GFCCVEGCSA-N	305.378	1.750	50	20	DDGD	
Cc1ccc(Cc2nc(C(=O)NN(C)C[C@H](C)O)cs2)cc1	910156670	VTJASVSMANNYSF-LBPRGKRZSA-N	319.430	2.000	50	20	DDGD	
CCCCN(C)C[C@H](C)NC(=O)NNC(=O)[C@@H]1CCCCO1	836461311	BYZYMRPETTUKBA-STQMWFEESA-N	314.430	1.006	50	20	DDGD	
CC(C)c1nnc(CCC(=O)NNc2ccc(C(=O)O)cn2)o1	833512467	XWINRAJJMSHUGY-UHFFFAOYSA-N	319.321	1.362	50	20	DDGD	
CC(=NNC(=O)c1ccccc1)c1cccc(-n2cnnn2)c1	916249269	YFDHCZIKGTWIOY-UHFFFAOYSA-N	306.329	1.816	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1cc2cc(Cl)cnc2o1	834933859	RRQCFLZPLBTSBY-UHFFFAOYSA-N	320.736	1.554	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1ccc(O[C@H](C)C(=O)O)cc1	831757775	WVHIUHYYQXSQTA-VSXLWIIGSA-N	319.313	1.635	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNc1ncnc2ccsc12	839704998	HCYWJARAHRVPIZ-MRVPVSSYSA-N	307.379	1.282	50	20	DDGD	
O=C(CCCC[C@H]1CCSS1)NCc1nc(O)n[nH]1	748419354	PPNYORWJNBDXBI-QMMMGPOBSA-N	302.425	1.841	50	20	DDGD	
CCCC(C)=NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1	916334606	NIWGBCBPAIILLW-UHFFFAOYSA-N	317.798	1.893	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@@H]2CCc3c[nH]nc3C2)o1	742594755	CLZKAGWNDSSFCB-SECBINFHSA-N	314.349	1.641	50	20	DDGD	
Cc1ccoc1C=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1	743429539	RTKHDVPHHSIWDO-MELADBBJSA-N	307.394	1.783	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1cccc(F)c1	843651047	JYZACASLKKIQIY-QGGJYJPNSA-N	306.337	1.801	50	20	DDGD	
CO[C@H](C=NNC(=O)Nc1ccc(N(C)C)cc1)[C@@H]1CCOC1	841625764	LPDDAGBBIHOQQQ-IUODEOHRSA-N	320.393	1.911	50	20	DDGD	
CCC1(CC)[C@@H](NC(=O)NNC(=O)c2ncccn2)C[C@@H]1OC	841582130	PCQHZELUUVFIPC-QWRGUYRKSA-N	321.381	1.014	50	20	DDGD	
O=C(NCc1ccoc1)NNC(=O)c1cc([N+](=O)[O-])ccc1O	745775326	QEIGQCQIMPZWGF-UHFFFAOYSA-N	320.261	1.038	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)NCCc1cccs1	749765313	HNOPUOJIPYOGPM-VIFPVBQESA-N	300.453	1.767	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)C2(O)CCSCC2)n1	841470576	CMCMUJHCIVHWJK-UHFFFAOYSA-N	302.787	1.140	50	20	DDGD	
O=C(NNc1nc(-c2ccccn2)nc2c1CCC2)c1ccon1	748340397	FJSJTFPHUMASKV-UHFFFAOYSA-N	322.328	1.772	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H]2C[C@H]2C2CCC2)c1O	846633090	WQXAKQUDBPTWQO-NWDGAFQWSA-N	304.346	1.598	50	20	DDGD	
COc1ccccc1CC(=O)NNc1ccnc(N(C)C)n1	740102871	HBBOETXFMQSUDS-UHFFFAOYSA-N	301.350	1.237	50	20	DDGD	
C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)NNC(=O)C1CCCC1	919924474	KJROGPDHINFDLQ-MCIONIFRSA-N	324.469	1.873	50	20	DDGD	
C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)CC(C)(C)CCl	866865517	HMPJCDUNUCZVGG-VXGBXAGGSA-N	310.891	1.853	50	20	DDGD	
O=C(NN=Cc1ncc[nH]1)c1cc(Br)ccc1O	741768926	CKZSIYHEQNEORC-UHFFFAOYSA-N	309.123	1.642	50	20	DDGD	
CC[C@H](C)c1ccc(S(=O)(=O)NNC(=O)c2cc[nH]n2)cc1	849310698	LCRAOXMNVDGIOL-JTQLQIEISA-N	322.390	1.547	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cc1cccc(C2CC2)c1	843659910	KEXQZFPJTJLFBK-XHDPSFHLSA-N	302.374	1.679	50	20	DDGD	
COCCN(C)c1ccc(C=NNC(=O)[C@H]2CCO[C@H]2C)cn1	842559393	JGWPJOCABUMREE-JSGCOSHPSA-N	320.393	1.039	50	20	DDGD	
CC[C@@](O)(CC(=O)NNc1nccnc1OC)c1ccccc1	840572550	UEHLNGWNFDREFN-MRXNPFEDSA-N	316.361	1.616	50	20	DDGD	
CC(=O)NNC(=O)[C@H]1CCCN(c2ncnc3sccc23)C1	743285322	LKOGAFUCWSQOOT-JTQLQIEISA-N	319.390	1.075	50	20	DDGD	
Cn1cc(/C=C/C(=O)NNC(=O)c2cc3ccccc3o2)cn1	749474209	PQSBYHMNZZIYDL-VOTSOKGWSA-N	310.313	1.641	50	20	DDGD	
C[C@H](CCN)NC(=O)NNC(=O)c1ccc(Cl)cc1F	841967020	JHMFXSZXRKRMHQ-SSDOTTSWSA-N	302.737	1.160	50	20	DDGD	
C[C@@H](O)CC(C)(C)CNC(=O)NNC(=O)c1cccc(C#N)c1	743589354	IVPVSWJUESOLMD-LLVKDONJSA-N	318.377	1.299	50	20	DDGD	
CN1CC[C@H]1CNC(=O)NNC(=O)c1cc2ccccc2o1	925414423	NZXNPIXDWOXXDB-NSHDSACASA-N	302.334	1.081	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C1CCN(c2nccs2)CC1	842559198	ZWPLVCBXCUXMKQ-JQWIXIFHSA-N	308.407	1.641	50	20	DDGD	
COC(=O)[C@H]1CCC[C@@H](C(=O)NNc2ncccc2[N+](=O)[O-])C1	759294984	YAWXGUHGXJZSPU-ZJUUUORDSA-N	322.321	1.412	50	20	DDGD	
Cc1ocnc1C(=O)NNC(=O)c1cc(-c2ccccc2)on1	920253983	CVMGLTLMLDFLQC-UHFFFAOYSA-N	312.285	1.713	50	20	DDGD	
C[C@]1(CNC(=O)CCCNC(=O)C2CC2)C[C@H]1Br	857399241	QTORWCOFMRAEQQ-ZWNOBZJWSA-N	317.227	1.583	50	20	DDGD	
C[C@H]1CN(Cc2ccccn2)CCC1=NNC(=O)c1cc[nH]n1	853392050	CDDHREFJAYLTFQ-LBPRGKRZSA-N	312.377	1.433	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC2=CCCOC2)c1C	854064357	KCSOUVYITNAZAA-UHFFFAOYSA-N	319.361	1.754	50	20	DDGD	
C[C@H](OC[C@@H]1CCCCO1)C(=O)NNc1ncccc1[N+](=O)[O-]	759297961	QKNARKMUFOOZAM-QWRGUYRKSA-N	324.337	1.407	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)C2CCCC2)CC(c2ccccc2)=NO1	856932569	XJBJEBIPTUKWLO-KRWDZBQOSA-N	315.373	1.907	50	20	DDGD	
CNC(=O)NNC(=O)c1c(C)cc(C)c(Br)c1C	858748644	VATLZHAILATFBJ-UHFFFAOYSA-N	314.183	1.948	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNC(=O)CC(F)(F)F	755641437	ZXMXVTKLYTUTLC-UHFFFAOYSA-N	307.272	1.442	50	20	DDGD	
O=C(NC[C@@H]1CCCSC1)NNC(=O)c1cccc(F)n1	852339998	ZNAMNLCJFVVOQE-VIFPVBQESA-N	312.370	1.308	50	20	DDGD	
O=C(NCC1=CCCOC1)NNc1ccc([N+](=O)[O-])cc1F	854064086	JYLYOMSHYOXOJF-UHFFFAOYSA-N	310.285	1.707	50	20	DDGD	
CCn1cc(CNC(=O)[C@H](Br)C(C)(C)C)nn1	855612969	JZBZWQFGJYNNDH-VIFPVBQESA-N	303.204	1.724	50	20	DDGD	
C#CCN(C)CCCNC(=O)NNc1ccc([N+](=O)[O-])cc1F	854094367	NQCIORQTSAGRTO-UHFFFAOYSA-N	323.328	1.315	50	20	DDGD	
O=C(NCC1(C(=O)O)CCC1)NNc1ncc(F)cc1F	851653814	CPFLMOIHNPEDCM-UHFFFAOYSA-N	300.265	1.241	50	20	DDGD	
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@]1(C)C[C@H]1Br	856752157	IHENNYMRKFJRCN-OPRDCNLKSA-N	324.244	1.086	50	20	DDGD	
COC(=O)[C@H]1C[C@H](NC(=O)NC[C@]2(C)C[C@@H]2Br)C1	856923962	YLDJKHDXTVTLAP-PEFMBERDSA-N	319.199	1.411	50	20	DDGD	
COCCN(CCOC)C(=O)NC[C@]1(C)C[C@H]1Br	856754144	CLEXZTCRXCSVEV-PWSUYJOCSA-N	323.231	1.464	50	20	DDGD	
CC1(C)C[C@@]1(C(=O)O)C(=O)NNc1nc(-c2cccnc2)no1	852951210	ORUCMCKIOMKIPV-AWEZNQCLSA-N	317.305	1.076	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NC[C@]2(C)C[C@@H]2Br)CCN1	857104112	QJZWIURRRBGEEX-SVDPJWKOSA-N	304.232	1.600	50	20	DDGD	
Cc1c(C(=O)NNC(=O)Cc2cc[nH]n2)cnc2ccccc12	755289200	OKQQHNRKHJXQHM-UHFFFAOYSA-N	309.329	1.270	50	20	DDGD	
CO[C@]1(CNC(=O)NC[C@]2(C)C[C@@H]2Br)CCOC1	856848078	AHTLIOFQKMHVRP-DLOVCJGASA-N	321.215	1.265	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@H](C)c2ccccc2C)n1	929308438	HTQYPLBPLHNBIA-CQSZACIVSA-N	314.389	1.759	50	20	DDGD	
CCCN1CC[C@@H](NC(=O)NNC(=O)c2ccccc2F)C1	852287333	URPCPXOQGCUOLC-LLVKDONJSA-N	308.357	1.254	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H](C)Cc1cncc2ccccc12	854920709	HJHUAPFWSGGCSA-NSHDSACASA-N	316.430	1.881	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1cnc2ccccn12	755587725	XCSQANHUSOXYKM-CQSZACIVSA-N	313.405	1.906	50	20	DDGD	
O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NNc1ncccn1	757249329	XLSDQJNPVNJTHJ-UHFFFAOYSA-N	322.712	1.865	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)c1cn[nH]c1)c1ccccc1	858134334	PTYDLEZJQGVVBL-UHFFFAOYSA-N	301.350	1.332	50	20	DDGD	
O=C(NNC(=O)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1)c1cccc(F)n1	852708771	CIXPNFHWBHUHBP-FIQHERPVSA-N	318.352	1.553	50	20	DDGD	
CC(=NNC(=O)Cc1cn2ccccc2n1)C1CCOCC1	755892320	SWMXFKIBBMMRSJ-UHFFFAOYSA-N	300.362	1.796	50	20	DDGD	
Cc1cc(CCCC(=O)NNC(=O)c2cc[nH]n2)c(C)s1	855357451	JQXKUSBTLJQGIZ-UHFFFAOYSA-N	306.391	1.872	50	20	DDGD	
COC(=O)c1coc(C=NNC(=O)COc2cccc(C)c2)c1	758075001	XPFJMQWIUYOWRY-UHFFFAOYSA-N	316.313	1.904	50	20	DDGD	
CCOc1ccc(NNC(=O)Cc2nnn(C(C)(C)C)n2)cc1	854656045	AXMHJUHSVVGKEA-UHFFFAOYSA-N	318.381	1.513	50	20	DDGD	
CCCC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1ccccn1	853390695	IUCYQTOBTMQIMN-CJNGLKHVSA-N	316.405	1.565	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@H]2CCN(C(C)(C)C)C2)cn1	855161730	CMGYOGSYOPPWHD-BKNIFWKGSA-N	315.421	1.564	50	20	DDGD	
C[C@@H]1CN(C(=O)/C(C#N)=C/c2ccc(O)cc2)C[C@]1(C)CO	856247763	AYCBSNZQHZYOFN-YSNDJWOQSA-N	300.358	1.776	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc2c(c1)CC(=O)N2C	931135852	GOQQACMYBMOQPZ-UHFFFAOYSA-N	314.345	1.162	50	20	DDGD	
CCN1CCOC[C@H]1C(=O)OC[C@@H](CBr)C1CC1	859619780	VWULVUVMMJHAJB-NEPJUHHUSA-N	320.227	1.671	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cnn(CC(C)C)c1C(F)F	758747016	PESYLNQZNAMLKM-UHFFFAOYSA-N	317.340	1.831	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(C(C)(C)C(=O)OC)cc1	756756096	DZNYBFUIIVKQGU-UHFFFAOYSA-N	307.350	1.700	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=S)NCC2CCC2)ccc1F	855090583	ZLVVAFWKGCZPHW-UHFFFAOYSA-N	306.366	1.606	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)CCc2ccccc2O)s1	755701158	ZNWPWDKONKYACD-UHFFFAOYSA-N	318.402	1.998	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1ccc([N+](=O)[O-])o1	768584726	WDXJILRMUAMDMD-UHFFFAOYSA-N	307.291	1.214	50	20	DDGD	
CN(CC1(O)CCOCC1)S(=O)(=O)CC(C)(C)CCl	867152294	ANXJLDIXWJZNMO-UHFFFAOYSA-N	313.847	1.055	50	20	DDGD	
CC(C)(C(N)=O)C(=O)NNc1ccnc2cc(Cl)ccc12	769844662	BMZDNQSLMZMSGO-UHFFFAOYSA-N	306.753	1.843	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(N2CCCC2=O)ccc1F	769971615	AAAZUSMBPWTHGF-UHFFFAOYSA-N	324.312	1.735	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C(C)(C)O)c1ccccc1C(F)(F)F	768244291	MOGPCYPYFKIPHL-QMMMGPOBSA-N	318.295	1.727	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cn2ccc3ccccc32)c(C)nn1	767434961	RQKIKIVYSQPEDS-UHFFFAOYSA-N	323.356	1.509	50	20	DDGD	
CCOCCCN1CCC(=NNC(=O)c2cc(C)[nH]n2)[C@@H](C)C1	764793950	VKVMFVTUICYTJT-LBPRGKRZSA-N	321.425	1.572	50	20	DDGD	
CCNC(=O)NNC(=O)CCc1ccccc1C(F)(F)F	865015719	HYZGXUOSEMTIRE-UHFFFAOYSA-N	303.284	1.988	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2cn(C)nc2-c2cccnc2)n[nH]1	764795288	PTMMUYKPGLRPCM-UHFFFAOYSA-N	309.333	1.278	50	20	DDGD	
CNc1c(C(=O)NNC(=O)c2cccnc2)cccc1[N+](=O)[O-]	765368342	QKEXTCQDZTVQBR-UHFFFAOYSA-N	315.289	1.106	50	20	DDGD	
Cc1ccc(-c2ncco2)cc1NCc1cccc(B(O)O)c1	864030344	KCSUIZRJBUFHPS-UHFFFAOYSA-N	308.146	1.942	50	20	DDGD	
Cc1cccc(NNC(=O)c2ccccc2N2CCOCC2)n1	862523703	LMLCRNBBBYYLNY-UHFFFAOYSA-N	312.373	1.984	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCCOC2CCOCC2)o1	866435791	GELIIDYAXBGDPT-UHFFFAOYSA-N	310.350	1.325	50	20	DDGD	
O=C1N[C@H](C(=O)NNc2ncc(Cl)cc2Cl)CCO1	860937157	VOWGAGHOQLCVKH-ZETCQYMHSA-N	305.121	1.330	50	20	DDGD	
CCc1nocc1C(=O)NNC(=O)CNc1ccc(OC)cc1	863854222	XDZVDPFDHVJGHC-UHFFFAOYSA-N	318.333	1.119	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C2CCCOc3cc(F)cc(F)c32)N1	863149782	FPTVBAOWEHKHAV-LLVKDONJSA-N	323.299	1.236	50	20	DDGD	
C[C@@H](NNC(=O)c1cc2c(nc1O)CCCC2)C(F)(F)F	862312489	NLUWVXYDSAYPKF-SSDOTTSWSA-N	303.284	1.851	50	20	DDGD	
CC(C)(C)OC(=O)Nc1ccc(C=NNC(=O)CCO)cc1	1117782303	DSIFLYBPRBLJQE-UHFFFAOYSA-N	307.350	1.866	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2CC23CCC3)cc1OC	872808475	HXAQURRRGGDXKU-ZDUSSCGKSA-N	319.361	1.590	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H]2c3c[nH]nc3CC[C@H]2C)n1	878968737	ZVQYOHAZUMMVGW-UHLUBPPHSA-N	320.784	1.971	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)CN2CCOC2=O)cc1	873793721	FENMFHQUNYMSME-UHFFFAOYSA-N	319.361	1.197	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2ccc(C)nn2)ccc1F	1116708600	DLDYQMOHBKXNEX-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H]2CC[C@@H]2C(N)=O)c1	873756467	KVMVRPPHTAKNPW-QWRGUYRKSA-N	320.418	1.133	50	20	DDGD	
COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CC=CCC1	778966861	DXIUBBVFILBJIK-UHFFFAOYSA-N	323.780	1.372	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](SC)c1ccccc1	772143677	REXPJKMLAVPWNG-GWCFXTLKSA-N	324.402	1.580	50	20	DDGD	
COC(=O)c1ccccc1CC(=O)NNc1ncc(F)cn1	775797777	BNXWKQLULKQAHR-UHFFFAOYSA-N	304.281	1.088	50	20	DDGD	
Cc1ncccc1CC(=O)NNC(=O)c1ccc(Cl)cc1O	1117347229	MUTPFVUIVGKLOW-UHFFFAOYSA-N	319.748	1.753	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cnn2cccnc12	777773026	FWCXTRDSFJVZJN-UHFFFAOYSA-N	311.301	1.273	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)/C=C\c1ccc(Cl)cc1	771890627	KUQORXHAECHYJJ-MBACFSSFSA-N	324.764	1.842	50	20	DDGD	
O=C(CO[C@H]1CCOC1)NNc1ccc(Cl)cc1[N+](=O)[O-]	1116199283	NUBKGZJDCDPGJG-VIFPVBQESA-N	315.713	1.497	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)COc1ccc(C)c(C)c1	771870535	MYUQGJUJTWSZJH-LBPRGKRZSA-N	322.361	1.171	50	20	DDGD	
C#CCOc1cc(F)ccc1NC(=O)NNc1ncc(F)cn1	775642153	VMOHOMLBODNYJS-UHFFFAOYSA-N	319.271	1.915	50	20	DDGD	
CC(C)[C@](C)(O)C(=O)NNc1ccnc(Br)c1	771553828	PWCZUZUOZDPJMT-NSHDSACASA-N	302.172	1.694	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C	771912792	HEGRTJBLWFRWSP-DMDPSCGWSA-N	310.394	1.714	50	20	DDGD	
COC(=O)[C@H](C)n1cccc1C=NNC(=O)NCC(F)(F)F	774587562	QKIJHIQCYBVNFN-QMMMGPOBSA-N	320.271	1.418	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cn(C)nc2C(C)C)cc1O	882050965	DRDGIDNDCRTIIL-UHFFFAOYSA-N	316.361	1.632	50	20	DDGD	
O=[N+]([O-])c1ccc2c(c1)N(S(=O)(=O)CCCCl)CC2	881772584	KIOFPQQGCIFMNV-UHFFFAOYSA-N	304.755	1.916	50	20	DDGD	
C[C@@H](NC(=O)NNc1cc(F)c(F)cc1F)c1ncnn1C	788886594	MPOUXAILPIYVAA-ZCFIWIBFSA-N	314.271	1.620	50	20	DDGD	
CN([C@@H](CC(N)=O)c1ccccc1)S(=O)(=O)CCCCl	882146663	BWXPYRTXZVXWLJ-LBPRGKRZSA-N	318.826	1.494	50	20	DDGD	
CO[C@@]1(C)C[C@@H](N(C)S(=O)(=O)CBr)C1(C)C	782461797	UUPVRKSZSGABNS-SCZZXKLOSA-N	314.245	1.804	50	20	DDGD	
COc1cc(Br)ccc1CCC(=O)NNC(C)=O	782541820	MAHPDIVQYZTFQB-UHFFFAOYSA-N	315.167	1.558	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)C1(OC)CCC1	781581757	KOUIAKTYIDPWAH-UHFFFAOYSA-N	312.753	1.679	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=S)NC(C)(C)C	783776304	BBUPHZDFJPBBKC-MRVPVSSYSA-N	318.443	1.193	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2CCOCC2)c(F)c1Cl	883069363	GHXQZZJJZVSXCL-UHFFFAOYSA-N	314.744	1.975	50	20	DDGD	
N#CCn1cc(NC(=O)C(=O)NNc2ccccc2Cl)cn1	784776789	HARBVXJTTOTVDN-UHFFFAOYSA-N	318.724	1.142	50	20	DDGD	
CO[C@@]1(C)C[C@H](N(C)S(=O)(=O)CBr)C1(C)C	782461800	UUPVRKSZSGABNS-WPRPVWTQSA-N	314.245	1.804	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccc(Cl)cc2F)nn1	885107010	PKHXXXMUUPSGOR-UHFFFAOYSA-N	313.720	1.474	50	20	DDGD	
C=C[C@@](C)(CC)C(=O)OCC(=O)NNC(=O)c1cccs1	785756491	AUNNLSBISUXRGD-AWEZNQCLSA-N	310.375	1.655	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCC(=O)NCC(=O)c1ccccc1	786666022	LICDNFCCPZYXPG-ZSOIEALJSA-N	312.325	1.389	50	20	DDGD	
CC(C)CC1(C(=O)NNC(=O)N2CCN(C)CC2)CCCC1	788166343	LUGMSXOYIMHHRN-UHFFFAOYSA-N	310.442	1.581	50	20	DDGD	
C[C@@](O)(Cc1ccccc1)C(=O)NNc1ncncc1Cl	781834394	XSIVHMGIPKFMNJ-CQSZACIVSA-N	306.753	1.567	50	20	DDGD	
CC(C)S(=O)(=O)c1ccccc1C(=O)NN=c1cc[nH]cc1	781020848	HFRQABLHZYLKEE-UHFFFAOYSA-N	319.386	1.443	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCN2CCC(C)(C)C2)n1	898592319	LBIMCELMDOMAIT-UHFFFAOYSA-N	319.409	1.066	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccccc2F)c(O)n1	782707170	IOFDNBDVTVXIHK-UHFFFAOYSA-N	304.281	1.317	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C[C@H]2CCCOC2)nc1C	793783070	JSOSHEXJIRYHOM-LLVKDONJSA-N	322.365	1.222	50	20	DDGD	
OB(O)c1cccc(-c2noc([C@H]3CCOC4(CCC4)C3)n2)c1	896943494	HYBKIOZXDLHAJL-LBPRGKRZSA-N	314.150	1.233	50	20	DDGD	
CC[C@H](OC)C(=O)NNC(=O)c1cc(C)nc2ccccc12	799009099	KOAWYFRRRARFFA-AWEZNQCLSA-N	301.346	1.729	50	20	DDGD	
CSSCCNC(=O)N1CC[C@H](N2CCCC2=O)C1	790880509	MJFJWKJDLGNPTB-JTQLQIEISA-N	303.453	1.404	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccnn1CC(F)F	790912096	ZMTGUHJGSQFSNB-UHFFFAOYSA-N	306.276	1.781	50	20	DDGD	
Cn1cncc1CCC(=O)NNC(=O)c1cccc2ncccc12	793455320	CBLLTVJVEOYPAB-UHFFFAOYSA-N	323.356	1.362	50	20	DDGD	
C[C@@H](NC(=O)NNc1nc2ccccn2n1)c1ccc(C#N)cc1	790199727	SQCKVBXEAQDXFY-LLVKDONJSA-N	321.344	1.988	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)S(=O)(=O)N(C)C)cc1OC	794956148	AMFXCDJHAJRCSM-XYOKQWHBSA-N	310.375	1.850	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1cccc(OC(F)(F)F)c1F	793349543	QHJRREMSEGNDOT-UHFFFAOYSA-N	316.232	1.054	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)c1cccc(O)c1O	790463709	WPKUMNXCFHMWIS-UHFFFAOYSA-N	320.276	1.077	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)C[C@H]2CCCOC2)n1	793228109	YIVUAOUMPASLIG-GFCCVEGCSA-N	306.366	1.103	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53	795078670	RHEGGVBHBFZBAL-BCWHTBRZSA-N	302.418	1.964	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1cc(Br)ccc1O	1322285217	CBTZMPZLMOSPRR-UHFFFAOYSA-N	315.123	1.168	50	20	DDGD	
C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)NNC(=O)c1cn[nH]c1	1329759516	PBPBWGWIZQEBLK-IONNQARKSA-N	319.287	1.427	50	20	DDGD	
C[C@@H](CC(=O)OC(C)(C)C)NC(=O)NNC(=O)C1CCCC1	1320735582	QVAQZUNLUMHFAU-JTQLQIEISA-N	313.398	1.627	50	20	DDGD	
Nc1cnnc(NNC(=O)N[C@@H]2CCCSC2)c1Cl	1324114328	WLNSXKOCDXWYDX-ZCFIWIBFSA-N	302.791	1.234	50	20	DDGD	
CC(C)NC(=S)NNC(=O)COC[C@H](C)c1ccccc1	1332558301	ZFPYYRPRTCNDSA-LBPRGKRZSA-N	309.435	1.710	50	20	DDGD	
Cc1n[nH]c(C)c1C[C@H](C)C(=O)NNC(=O)CC(F)(F)F	1334438864	DIOJZEFOOMPYDC-LURJTMIESA-N	306.288	1.305	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)[C@H]1CCc2nnc(O)n2C1	1337369644	XPVSIIUPMMPSNZ-VIFPVBQESA-N	321.768	1.651	50	20	DDGD	
COc1cc(F)c(C(=O)NNC(=O)[C@@H]2CCCCO2)c(F)c1	1340752865	JIGTWQOMGANAGK-NSHDSACASA-N	314.288	1.304	50	20	DDGD	
C[C@]1(CNC(=O)[C@H](N)Cc2ccccn2)C[C@@H]1Br	1263163447	PHVLUOSXFZJLLW-NTZNESFSSA-N	312.211	1.241	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H]2CCCC[C@@H]2C1)c1ncccn1	1261373340	ASUINJXXMYDELD-VXGBXAGGSA-N	303.366	1.343	50	20	DDGD	
CSCC1CCN(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CC1	1340266535	TWSXWDLZZFGWBI-ZYHUDNBSSA-N	315.439	1.227	50	20	DDGD	
C[C@]1(COC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)C[C@H]1Br	1263536697	CTWJQUMLSGKBGF-VWMGYNLJSA-N	318.211	1.995	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)COCCOC)cc1CC	1352011621	YWFSPRUFQFTHBP-UHFFFAOYSA-N	308.378	1.235	50	20	DDGD	
O=C(CCOc1ccccc1)NN=Cc1cc(C(=O)O)no1	1601281985	DZSNKXIUZFWMOM-UHFFFAOYSA-N	303.274	1.292	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2nc3ccncc3s2)nc1	1606478625	KQMLOCMJLIXYOL-UHFFFAOYSA-N	315.314	1.541	50	20	DDGD	
O=C(COCc1ccncc1)NNc1ccc(F)c(C(=O)O)c1	1608348419	PBWDXFABLAHIFG-UHFFFAOYSA-N	319.292	1.579	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cccc1C(=O)O	1610423441	HVMOWWGLFXAGIZ-MWLCHTKSSA-N	321.333	1.271	50	20	DDGD	
CCn1cc([C@H]2OCC[C@H]2C=NNC(=O)Cc2cc[nH]n2)cn1	1552452382	KJWMMYAYPSICAJ-NHYWBVRUSA-N	316.365	1.048	50	20	DDGD	
CC[C@H]1NCC[C@H]1C(=O)NNC(=O)COc1cc(C)ccc1C	1577308609	OAXRJYHDOYOPMN-ZIAGYGMSSA-N	319.405	1.218	50	20	DDGD	
Cc1cc(CN)cc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	1579594388	ZVEJBHIWCFBTPV-ZWNOBZJWSA-N	306.366	1.031	50	20	DDGD	
COc1ccccc1NNC(=O)C1(n2cccn2)CCNCC1	1579309548	INWOMAMLYLZLSG-UHFFFAOYSA-N	315.377	1.114	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CCc1cnc(N)s1	1579796424	DNLGUKLHRRNYTD-UHFFFAOYSA-N	318.402	1.356	50	20	DDGD	
COc1cc(NNC(=O)[C@@]2(C)C[C@H](OC)CN2)ccc1Cl	1579166180	BQJXNCLYLKKJFK-IINYFYTJSA-N	313.785	1.559	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CC(F)(F)CN)c1	1579768300	URHZJRUZDKOXGC-UHFFFAOYSA-N	302.350	1.297	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(F)c(C(=O)O)c1)c1cnccn1	1589423645	ONHSJUZBMRIRCP-QMMMGPOBSA-N	304.281	1.561	50	20	DDGD	
C/C(=C\c1ccncc1)C(=O)NNc1cccc(-c2nn[nH]n2)c1	1588772749	RFSQVNFISUGJFH-PKNBQFBNSA-N	321.344	1.808	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)O	1595760425	ZHRFATWGNZWOLS-FIQHERPVSA-N	309.366	1.030	50	20	DDGD	
CC[C@@H](C(=O)O)C(=O)NNC(=O)c1nc2ccccc2s1	1594755287	FTFTYAXCOSFYOE-SSDOTTSWSA-N	307.331	1.168	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](CC(=O)O)Cc1ccccc1	1596865126	ZTTZZIVSIOROLD-FZDNWWAKSA-N	302.330	1.633	50	20	DDGD	
CCCC[C@@H](NC(N)=O)C(=O)NNc1cccc(C(=O)O)c1C	1595639104	PCDRLOQWHWMGSM-GFCCVEGCSA-N	322.365	1.363	50	20	DDGD	
COc1ccc(C(=O)NNc2ncccc2C(=O)O)c(C)c1	1594078549	IJNKUKIYIGBROQ-UHFFFAOYSA-N	301.302	1.854	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(C(=O)O)c1)c1nccn1C	1593101580	HLXUZSLYLZJEFT-VIFPVBQESA-N	303.322	1.506	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=Cc2csc(C(=O)O)c2)c1	1776095991	FUOOGLTYTFFKEO-UHFFFAOYSA-N	318.310	1.908	50	20	DDGD	
C[C@@H](NC(=O)/C(C#N)=C/c1cc(C(=O)O)nn1C)c1ccccc1	1776119394	ACFCKLKJAYRCEV-KAQJVSAMSA-N	324.340	1.903	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2cnc(C3CC3)nc2)cc1	1776101103	QNBWQQQQNDUMMK-UHFFFAOYSA-N	310.313	1.816	50	20	DDGD	
CCC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(C)=O)C[C@@H]21	1784615960	VQANTRCEUQXQNM-XUXIUFHCSA-N	316.829	1.394	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc2C1)c1ccccc1F	16961159	LUYMSUXUMWPQMJ-LBPRGKRZSA-N	314.316	1.838	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCCc1cnn(-c2ccccc2)c1	158743663	ASDZNGXJNCBUIZ-SQFISAMPSA-N	310.357	1.975	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2cncc(F)c2)c1	164241251	RHXHBFOWPAXQKX-UHFFFAOYSA-N	317.320	1.678	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNC(=O)NCCC1CCC1	151985894	JLRRTXDMJHISNZ-UHFFFAOYSA-N	316.361	1.458	50	20	DDGD	
CC(C)CCn1cc(C(=O)NNc2ncccc2[N+](=O)[O-])nn1	152827733	JZDLMGQQGSCIDU-UHFFFAOYSA-N	319.325	1.384	50	20	DDGD	
CCc1ccc([C@@H](C)CC(=O)NNC(=O)C(=O)NC2CC2)cc1	155091755	VOMUGEFGJMGGTQ-NSHDSACASA-N	317.389	1.169	50	20	DDGD	
C#CCSCCNC(=O)NNC(=O)Nc1ccccc1C	154841376	GCQMLSVCERYFOY-UHFFFAOYSA-N	306.391	1.697	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCC[S@@](=O)Cc1ccccc1	159470059	ZHYSSBKPXSNHTF-SZRHCGQDSA-N	306.387	1.495	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2c(C)cccc2C)nc1	159557388	NLYJZZQDAOPZEJ-UHFFFAOYSA-N	314.345	1.789	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)CCc1ccco1	8284105	FQWXKSKKKPYVQI-UHFFFAOYSA-N	312.329	1.630	50	20	DDGD	
CC(=O)c1cccc(OCCCC(=O)NNc2ncccn2)c1	58793812	QPQFHSGSTMXAQG-UHFFFAOYSA-N	314.345	1.982	50	20	DDGD	
O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)c1ccc(Cl)nc1	58381795	DWZQAUJFBLUFJC-LBPRGKRZSA-N	317.732	1.500	50	20	DDGD	
CCC(=O)N1CCC[C@@H](C(=O)NNc2ccccc2[N+](=O)[O-])C1	53061299	NJASJWAQNRAEPF-LLVKDONJSA-N	320.349	1.687	50	20	DDGD	
Nc1c(C(=O)NNC(=O)CC2CCCC2)cc(F)cc1[N+](=O)[O-]	170856589	HEMUXEXXMSUQQE-UHFFFAOYSA-N	324.312	1.657	50	20	DDGD	
CCN(CC(=O)NNC(=O)C1CC1)[C@H](C)c1ccc(C#N)cc1	112977125	ZYTKOXNGQAZNQY-GFCCVEGCSA-N	314.389	1.499	50	20	DDGD	
O=C(NNC(=S)NCCc1ccccn1)c1ccccc1F	101805232	XPDZTZHFUFBZHW-UHFFFAOYSA-N	318.377	1.572	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cc(F)c(F)cc1F	105590781	LQMDVJCZPRJFNV-ZCFIWIBFSA-N	310.297	1.460	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)cn1	103276371	RYXAEIVJUOXDGK-UHFFFAOYSA-N	324.262	1.956	50	20	DDGD	
CN1C[C@H](C(=O)NNc2cccc(C(F)(F)F)c2)CC1=O	103277325	OOMOQXYJLVZFNJ-MRVPVSSYSA-N	301.268	1.627	50	20	DDGD	
COCC(=O)NNC(=O)NCc1cccc(C(F)(F)F)c1	67338228	KZXNRQJSWORZCP-UHFFFAOYSA-N	305.256	1.182	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Nc2nc(C3CC3)cs2)cn1	172217799	BYVJBYLPUJHMEY-UHFFFAOYSA-N	306.351	1.221	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1	119033782	NGZRRSFWVVPQHA-LURJTMIESA-N	321.380	1.320	50	20	DDGD	
C[C@H](C[S@](C)=O)NS(=O)(=O)c1ccc(CCl)cc1	302491802	JDCQVRWSQCSMKO-XLFHBGCDSA-N	309.840	1.471	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](C)Oc2ccccc2)n1	174496931	SJLIEUYPAWGTDU-LLVKDONJSA-N	302.334	1.704	50	20	DDGD	
NC(=O)N1CCC(=NNC(=O)NCCc2cccs2)CC1	64921991	UKOHHEWWGLRFLK-UHFFFAOYSA-N	309.395	1.120	50	20	DDGD	
O=C(COC(=O)C=C1CCCCC1)NNC(=O)c1cccs1	64132016	WLJOVLWWKAWVLO-UHFFFAOYSA-N	322.386	1.943	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccn(-c2cccc(F)c2)n1	64424836	VUEFDEIIJKDKHN-UHFFFAOYSA-N	319.340	1.756	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)COc1ccccc1F)C1CC1	171168248	NPDYMUONVXJHEE-VIFPVBQESA-N	311.382	1.498	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	124530236	TZEUXLJIBJAILQ-BXKDBHETSA-N	314.382	1.882	50	20	DDGD	
Cc1cc(C)cc(NC(=O)C(=O)NNC(=O)CC2CCCC2)c1	125871811	BAQWCVALPZLFAQ-UHFFFAOYSA-N	317.389	1.970	50	20	DDGD	
CCOC1CC(CC(=O)NNC(=O)COc2ccc(F)cc2)C1	189725799	VTLIOISNOZBWSI-UHFFFAOYSA-N	324.352	1.557	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)CNc2ccccc2)cc1	73140282	LHAGYNBXLVBBIG-UHFFFAOYSA-N	312.373	1.626	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cc(C(C)=O)c[nH]2)n1	122028993	WJXQVQVZGXOLQL-UHFFFAOYSA-N	316.365	1.610	50	20	DDGD	
C[C@@H](C[S@@](C)=O)NC(=O)NNc1ncnc2ccsc12	183648354	OKYWVPJIGFECSD-SVWIBVJCSA-N	313.408	1.084	50	20	DDGD	
O=S(=O)(CBr)N1CCCC[C@H]1c1cc[nH]n1	367514075	MCIARQUELKGBQF-VIFPVBQESA-N	308.201	1.619	50	20	DDGD	
Cc1ccc(F)c(NC(=O)NNC(=O)Cn2nc(C)cc2C)c1	182849442	FCJDIHHOSMDODT-UHFFFAOYSA-N	319.340	1.800	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(C)c(F)c1	77164080	PCPCNHNDNKLTSS-UHFFFAOYSA-N	309.341	1.200	50	20	DDGD	
COc1ccc(Cn2ccc(NC(=O)NNC(C)=O)n2)cc1	189869421	AXQBVBDWPLPBRQ-UHFFFAOYSA-N	303.322	1.113	50	20	DDGD	
O=C(Cn1cnc(-c2ccccc2)n1)NNC(=O)c1ccccc1	134544708	MNMNFKSTDDRSSC-UHFFFAOYSA-N	321.340	1.406	50	20	DDGD	
COc1ccnc(NNC(=O)NCCCN(C(C)C)C(C)C)n1	72517626	LAULZWADJMGQKL-UHFFFAOYSA-N	324.429	1.620	50	20	DDGD	
CS[C@@H]1CCCCN(CC(=O)NNC(=O)c2ccccc2)C1	134575781	QQWRVDGHYIWOMM-CQSZACIVSA-N	321.446	1.665	50	20	DDGD	
Cc1cccc(C(=O)NNc2nc3ccccn3n2)c1[N+](=O)[O-]	191926575	YHRFGXCZNVCHAK-UHFFFAOYSA-N	312.289	1.703	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2n[nH]c3c2CCCCC3)cc1	190230827	QUAXZLNUWITYPW-UHFFFAOYSA-N	323.356	1.625	50	20	DDGD	
CC[C@@H](C)n1ncc(C(=O)NNC(=O)C(C)(C)O)c1C1CC1	190059458	RWUQAVOPGUPOKB-SECBINFHSA-N	308.382	1.263	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ccc(F)cc2F)cn1	131279753	POATZMGYUDKNFQ-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2coc(C3CCC3)n2)n1	192671897	NUPWUYGEBXKXOO-UHFFFAOYSA-N	303.322	1.806	50	20	DDGD	
CCCOc1ccc(/C=C/C(=O)NNC(=O)C(C)(C)O)cc1	192914602	YXHYRQRYNIUWTQ-JXMROGBWSA-N	306.362	1.407	50	20	DDGD	
Cn1c(NNC(=O)C2(N)CCCCC2)nc2ccccc2c1=O	237869521	JPRPXOZFSKFCIQ-UHFFFAOYSA-N	315.377	1.038	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccn(C(C)C)n2)cc1	265109963	ZFTRSFKIQYQZDY-UHFFFAOYSA-N	315.377	1.646	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12	269041375	XANIOJBVRBCFQT-SQWLQELKSA-N	301.390	1.949	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1ccc2c(c1)C[C@H](C)O2	264315428	OWXOMKYQYFDCCJ-JTQLQIEISA-N	312.391	1.366	50	20	DDGD	
CCCC[C@@H](COC)NC(=O)NNC(=O)c1ccccc1F	265452859	AHJNECPOLOKUQK-NSHDSACASA-N	311.357	1.975	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)COc2ccccc2O)n[nH]1	264597008	XGGXYDRYBOTKPL-UHFFFAOYSA-N	318.333	1.079	50	20	DDGD	
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NNc1cccc([N+](=O)[O-])c1	268150339	MKVBLKQEFWCRDS-YGRLFVJLSA-N	319.365	1.704	50	20	DDGD	
C[C@H]1CC/C(=C\C(=O)NNC(=O)Cn2cnc3ccccc32)C1	267856476	MTKNVEGVIYPAML-OQZOHAQUSA-N	312.373	1.930	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H](C)[C@@H]1CCCNC1	269207153	OELBHVQAYNFZQD-ZWNOBZJWSA-N	312.845	1.857	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2Cl)N1	264265991	CVOVIEVSJXFBHG-SECBINFHSA-N	316.144	1.033	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccnc(OC(C)C)c2)o1	268316712	DITAHXICDYHNCK-UHFFFAOYSA-N	303.318	1.845	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(C)c2)C1	367497525	LXXOORKQBQXOAA-SNVBAGLBSA-N	323.324	1.216	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)CCc2ccccc2O)CCO1	272119213	SQQIZRNXPRTVMA-WCQYABFASA-N	306.362	1.287	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CC(C)(F)F)cc1C	277487290	DCNNCKIVXOCQKF-UHFFFAOYSA-N	313.304	1.435	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])c2cccnc12	270821368	RUQSJYUGMLARQG-UHFFFAOYSA-N	316.317	1.950	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cccc(CN2CCOCC2)n1	270987307	CYOOLXZJKJPVKR-OUKQBFOZSA-N	316.361	1.296	50	20	DDGD	
COC1(CC(=O)NNC(=O)c2ccc3ccccc3n2)CCC1	276549270	GQAORCAVRALQDA-UHFFFAOYSA-N	313.357	1.955	50	20	DDGD	
Cc1cccnc1NNC(=O)CCn1cc([N+](=O)[O-])nc1C	276667366	CPWYTUPMALIDJC-UHFFFAOYSA-N	304.310	1.337	50	20	DDGD	
COCCC(C)(C)C(=O)NNc1nc(-c2cccnc2)no1	273644761	VDLVFLFAEGHRHT-UHFFFAOYSA-N	305.338	1.637	50	20	DDGD	
Cc1nnc([C@H](C)NC(=O)NNc2cncc(Cl)n2)s1	274205463	MSYXXEKHOSRHGR-YFKPBYRVSA-N	313.774	1.677	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NNc1c(F)cccc1Cl	274603737	MBLCSXCAEIOZNF-JTQLQIEISA-N	315.776	1.891	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@@]1(O)CCc2ccccc2C1	376051117	TWEROYQLSTTWHV-MRXNPFEDSA-N	301.321	1.584	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CC[C@H]2CCCCO2)nc1	270368121	LAEVMZUORQZEHU-GFCCVEGCSA-N	307.350	1.661	50	20	DDGD	
O=C(C[C@H]1C(=O)Nc2ccccc21)NNc1cccc(F)n1	376259914	IGYNDWNQROSHKP-SNVBAGLBSA-N	300.293	1.790	50	20	DDGD	
CSSCCNC(=O)c1ccc(CNS(C)(=O)=O)o1	283886914	CNOVZPIRVPZRNV-UHFFFAOYSA-N	324.449	1.070	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)c1ccc(Cl)cc1	285324261	ZZFHJVDJYMTRSC-QWRGUYRKSA-N	310.737	1.300	50	20	DDGD	
CC[C@H]1CCCC[C@H]1C(=O)NNc1nc(O)c2cnn(C)c2n1	280289430	XBXQEXLLTOYJBO-VHSXEESVSA-N	318.381	1.728	50	20	DDGD	
O=C(NNS(=O)(=O)c1c(Cl)ccc(F)c1F)C1CCC1	283789516	FJQKUAMDYRBVMK-UHFFFAOYSA-N	324.736	1.728	50	20	DDGD	
COC(=O)[C@H]1C[C@H]1C(=O)NNc1ccc2c(O)nccc2c1	285724066	OJLLHZLNZWGFHN-NEPJUHHUSA-N	301.302	1.193	50	20	DDGD	
CCOCc1ccc(CNC(=O)NNC(=O)[C@@H]2CCCO2)cc1	291643523	MSYQJKCDJRFYGV-AWEZNQCLSA-N	321.377	1.233	50	20	DDGD	
Cc1cc(F)cc2[nH]c(C(=O)NNC(=O)[C@@H]3CCCO3)cc12	294601316	JCRNWJGAWIFOER-ZDUSSCGKSA-N	305.309	1.555	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)NCCc1cccs1	800328153	HWBOIPBHXDBEMG-UMNHJUIQSA-N	311.407	1.435	50	20	DDGD	
CCSCc1cc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)no1	294187343	KAUGDECMGOVHQB-KWQFWETISA-N	313.379	1.256	50	20	DDGD	
COc1cnc2ccccc2c1C(=O)NNc1ncc(F)cn1	801933472	SWDXXFPUWPKJGG-UHFFFAOYSA-N	313.292	1.929	50	20	DDGD	
Cc1cccc(CCCNC(=O)NNC(=O)C2CCCC2)n1	805351268	FIZXLFODANESJD-UHFFFAOYSA-N	304.394	1.843	50	20	DDGD	
COC[C@H](C)OC(=O)/C(C#N)=C\c1ccc(C(=O)OC)cc1	298790790	IRRRYCPWVCFYNN-KSSSLANASA-N	303.314	1.958	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H]2CCCSC2)c1	809933456	HMVGPNISOAGTGO-ZDUSSCGKSA-N	322.430	1.973	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cncc(O)c2)cc1	803395036	XNTUDIHDRPPEIK-UHFFFAOYSA-N	302.290	1.262	50	20	DDGD	
CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NNc1ncncc1F	294067344	QCSUABQCSYCGIW-NSHDSACASA-N	323.372	1.486	50	20	DDGD	
N#Cc1cc(O)cc(C(=O)NN=c2cc[nH]c3ccccc23)c1	809670693	PLWAWOCXLWRNMJ-UHFFFAOYSA-N	304.309	1.991	50	20	DDGD	
CC(C)(C)CCC1(O)CC(C(=O)NNC(=O)c2ccccn2)C1	294285050	UNXBUOCDTVUGRA-UHFFFAOYSA-N	319.405	1.810	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H](O)c2ccc(Cl)cc2)O1	293812848	DQASLDOHSFIWLX-UWJYBYFXSA-N	312.753	1.088	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)cn1	295578422	OEFHPHIILRSSAY-GFCCVEGCSA-N	307.350	1.199	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cc(O)ccc1C(F)(F)F	293975962	KPUYIDJFQDMSKC-JTQLQIEISA-N	318.251	1.351	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)Cn1cc(Cl)cn1	806824698	PSANARYUWAZJRK-UHFFFAOYSA-N	310.716	1.066	50	20	DDGD	
CSc1cccc(NC(=O)NNC(=O)c2ccccc2O)n1	806783885	PSCHZUBFPUIARW-UHFFFAOYSA-N	318.358	1.976	50	20	DDGD	
C[C@H](C(=O)NNc1ccncn1)[C@@H]1OCCc2sccc21	295453415	LGPMKOTVOSSASI-ZANVPECISA-N	304.375	1.931	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1ccc(-n2ccnc2)cc1	802027129	SMALUNUDVRWYOQ-UHFFFAOYSA-N	322.328	1.156	50	20	DDGD	
CCOC1(CNC(=O)NNC(=O)c2ccccc2O)CCCC1	297524047	XKMCLZZLESSHTB-UHFFFAOYSA-N	321.377	1.686	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)CCc2ncc(C(C)(C)C)o2)O1	293878669	JOOVHPZXSWEQLX-QWRGUYRKSA-N	323.393	1.620	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(c2ccc(C)cc2)C(=O)C1	804133982	TZRBAGGXQYNKDS-OWBHPGMISA-N	313.357	1.614	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1nc(N2CCCC2)ncc1Cl	819110362	ZOSNDSITKJFMSQ-UHFFFAOYSA-N	323.784	1.291	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H](C)[C@H](C)COC)c1	812536505	DZTNPRJWGRVGHL-NEPJUHHUSA-N	319.430	1.904	50	20	DDGD	
O=C(NNc1ncncc1F)Nc1ccc2c(c1)OCCCO2	814505091	ZGLVROTUPXIWNJ-UHFFFAOYSA-N	319.296	1.926	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCc1ccon1	816828810	PWKPBNRWYZAHLP-JTQLQIEISA-N	321.308	1.361	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)CCCC#N)c1C	812447065	FVCGZTYJWQXJEY-ZDUSSCGKSA-N	303.362	1.912	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)Cc2ccccc2OC)on1	814813696	VPFSZIJAEKQLNV-UHFFFAOYSA-N	317.301	1.163	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2snnc2C2CC2)cc1	810268419	SOHBZTOGNQGGIK-UHFFFAOYSA-N	313.342	1.362	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1cc([N+](=O)[O-])ccc1N	814818042	BPHQOUGYBFYGBR-UHFFFAOYSA-N	309.326	1.237	50	20	DDGD	
COc1cc(C=NNC(=O)Cc2cc[nH]n2)cc(Cl)c1O	814954367	FDMBGXOLHAPVCJ-UHFFFAOYSA-N	308.725	1.470	50	20	DDGD	
CO[C@@H]1CCC[C@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)C1	814375669	PJBBNUSXJZQAEP-DZGCQCFKSA-N	319.405	1.719	50	20	DDGD	
CO[C@@](C)(C(=O)NNc1nc(C)cc(C)n1)C(=O)OC(C)(C)C	820523924	UVIAKCWBCLGQGS-HNNXBMFYSA-N	324.381	1.283	50	20	DDGD	
C[C@@H](CNC(=O)/C(C#N)=C\c1cnn(C)c1)N1CCCC[C@H]1C	491013757	VDOCWUQWVQUQAI-VKQKDJGISA-N	315.421	1.706	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1CCN(c2ccccc2)C1	822193558	DOCQGPDWUVSTOG-GFCCVEGCSA-N	304.419	1.194	50	20	DDGD	
CN(NS(=O)(=O)c1cccc(N)c1)C(=O)OC(C)(C)C	496939538	OIEFYDCNKQMJML-UHFFFAOYSA-N	301.368	1.329	50	20	DDGD	
CC(C)(C)OC(=O)C1(C(=O)NNC(=O)NCC2CC2)CC=CC1	823803896	HCVZIQHCGAIQHP-UHFFFAOYSA-N	323.393	1.405	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)C1[C@H]2CCCCCC[C@H]12	829566051	PZQWYRHSUQLGEG-KBPBESRZSA-N	301.390	1.988	50	20	DDGD	
CC(C)(C)OC(=O)NNS(=O)(=O)c1cccc2c1OCO2	495777798	PMANACNTERYLQM-UHFFFAOYSA-N	316.335	1.133	50	20	DDGD	
CC(C)OC(=O)[C@H](C)NC(=O)/C(C#N)=C/c1ccc(O)cc1	491085803	RPYHQPJFADSZDH-ZWSXMNCCSA-N	302.330	1.755	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(S(C)(=O)=O)cc1	490611380	QDNNNPQHQAZABQ-KAQJVSAMSA-N	322.386	1.148	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NNc1nnc(-c2ccccn2)s1	490693487	JBZMGXWUBGVIBS-HJWRWDBZSA-N	316.346	1.487	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(OC(F)F)cc1F	822548064	VADQWLYTYUCQLP-UHFFFAOYSA-N	307.297	1.508	50	20	DDGD	
CC[C@H](c1ccncc1)N(C)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	827298394	IJOBIVCUOJKMBX-KWCYVHTRSA-N	320.393	1.630	50	20	DDGD	
C[C@]1(C(=O)N2CCC(CCC(N)=O)CC2)C[C@H]1Br	907191746	WSDNOZMMXGFROB-MFKMUULPSA-N	317.227	1.664	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1nccnc1C(C)C	497000311	PXDMWXUMOBCZJN-UHFFFAOYSA-N	309.370	1.522	50	20	DDGD	
Cc1cc(C[C@H](C)NC(=O)[C@@]2(C)C[C@@H]2Br)n[nH]1	907058666	ZCTKXIAXBBQQBT-JWYUURKGSA-N	300.200	1.939	50	20	DDGD	
O=C(/C=C\c1ccc[nH]1)NNC(=O)c1ccc(Cl)cc1O	492858315	YYGFEVPHMPMGSY-XQRVVYSFSA-N	305.721	1.848	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)NCCCC3CCC3)nc21	822444848	JTFCELASTBRVAE-UHFFFAOYSA-N	319.369	1.275	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C[C@@H]1CCC(=O)N1C)c1ccccc1	827185464	TXYXCHSZDNARDJ-UONOGXRCSA-N	317.389	1.339	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2(C(=O)OC(C)(C)C)CCC2)o1	829831969	UXBPRJHQFJEOGC-UHFFFAOYSA-N	322.361	1.861	50	20	DDGD	
O=C(NNS(=O)(=O)C1=CCCCC1)c1ccc2c(c1)OCO2	829622107	HLNNWCQHFAPHNK-UHFFFAOYSA-N	324.358	1.437	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NC[C@@H]1CCOC(C)(C)C1	496551765	QNOOCNDQYMOJTE-SNVBAGLBSA-N	301.387	1.931	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNc1cccc(S(C)(=O)=O)c1	907234540	LCUVJNDGUVWDRO-KBPBESRZSA-N	324.402	1.514	50	20	DDGD	
O=C(NC[C@@H]1OCCc2ccccc21)NNC(=O)C1CCC1	733650916	AAANWCZEZKXKIR-AWEZNQCLSA-N	303.362	1.431	50	20	DDGD	
C[C@H]1CN(Cc2ccccc2)CCC1=NNC(=O)c1ncon1	901289427	GWXKEUDNIMRRCF-LBPRGKRZSA-N	313.361	1.697	50	20	DDGD	
C[C@H]1CCCCN1CCCNC(=O)/C(C#N)=C/c1cnn(C)c1	491048949	MBGOWMQUTSIASU-KNGSKEOJSA-N	315.421	1.708	50	20	DDGD	
C[C@]1(C(=O)N2CC[C@H](N3CCCC3=O)C2)C[C@H]1Br	907693306	DUWSSZVYZRGXAW-CWSCBRNRSA-N	315.211	1.383	50	20	DDGD	
Cc1nnc2ccc(C(=O)NN=c3cc[nH]c4ccccc34)cn12	730288269	CILXHBPPHYKWGN-UHFFFAOYSA-N	318.340	1.765	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc2nc(C)c(C)nc2c1	731851843	TVLCEIUQCNAHRP-UHFFFAOYSA-N	324.344	1.353	50	20	DDGD	
COc1cc(CO)ccc1C(=O)NNc1nccnc1C(C)C	907783854	ZZFILKLEROFBGX-UHFFFAOYSA-N	316.361	1.858	50	20	DDGD	
Cn1c(NNC(=O)Cc2cccnc2)nc2ccccc2c1=O	733365831	UCYUNZULMLOWOF-UHFFFAOYSA-N	309.329	1.014	50	20	DDGD	
CN(C(=O)c1cccc(B(O)O)c1)[C@@H]1CCCc2ccccc21	584926871	FEYAZYKMLHNFKH-QGZVFWFLSA-N	309.174	1.516	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)[C@H]1CC(=O)N(C2CC2)C1	730288688	WDKSOBUETOAHJQ-NSHDSACASA-N	310.357	1.111	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CSC[C@@H]1C(=O)N(C)C(C)C	490756488	ZLRMRITZQSVPLW-YTRUQHMWSA-N	311.407	1.199	50	20	DDGD	
OB(O)[C@@H]1CCN(Cc2cnc(-c3ccccc3F)s2)C1	585078899	PBLNZJPODMOYOO-SNVBAGLBSA-N	306.171	1.998	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@@H]2CCCCO2)ccnc1Cl	836629989	GZMBZUCJWKFRTJ-JTQLQIEISA-N	312.757	1.765	50	20	DDGD	
COc1ccc(CC[C@@H](C)NCc2ccc(B(O)O)o2)cc1	585019907	UKDZWCRAAOGRLD-GFCCVEGCSA-N	303.167	1.079	50	20	DDGD	
O=C(NNC(=O)c1nnc2ccccc2c1O)c1ccccc1O	731864836	BAEUJTBGQRZPNX-UHFFFAOYSA-N	324.296	1.116	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccnn1-c1ccccn1	836697618	VAUYAXYUZQTAOK-SNVBAGLBSA-N	302.338	1.466	50	20	DDGD	
OB(O)c1ccccc1CNC[C@H](c1ccccc1)N1CCCC1	585014646	XSOFFQIHIFXDKZ-LJQANCHMSA-N	324.233	1.293	50	20	DDGD	
C[C@@H]1CC(C)(C)CN1CC(=O)NNC(=O)c1ccc(C#N)cc1	839658997	SZPOJXYPYIFFRB-GFCCVEGCSA-N	314.389	1.440	50	20	DDGD	
O=C1C[C@@H](NS(=O)(=O)CCl)CN1c1ccccc1F	831601530	DLAWYXKOUHHNGY-MRVPVSSYSA-N	306.746	1.047	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C[C@](C)(CN(C)C)c1ccccc1	834959244	HUFARVPNNQNHBX-QGZVFWFLSA-N	313.405	1.953	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NNc1cc(C#N)cc(Cl)n1	831544338	VNKSSHIBXAHCPN-NXEZZACHSA-N	316.752	1.587	50	20	DDGD	
CCSCc1ccc(NC(=O)C(=O)NNC(=O)C(C)C)cc1	835224113	WCJAYYYFDNLIFX-UHFFFAOYSA-N	323.418	1.682	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)c1scnc1C1CCCC1	584913918	LYLVXHPRRCCKHG-UHFFFAOYSA-N	316.191	1.733	50	20	DDGD	
C=CCOCC(=O)NNc1nc(-c2ccccn2)nc(C)c1C	734256025	FCXZQBXFEFIKIZ-UHFFFAOYSA-N	313.361	1.801	50	20	DDGD	
C[C@H](CO[C@@H]1CCOC1)NC(=O)[C@]1(C)C[C@H]1Br	906946144	WFTVJJWTTWLTDN-DNRKLUKYSA-N	306.200	1.470	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H](C)C2CCC2)cc1	838394915	NYZLTXZMZBSAPV-GFCCVEGCSA-N	318.373	1.735	50	20	DDGD	
O=C(O)COc1cccc(C=NNC(=O)Cc2ccccn2)c1	733203848	BEZIULAHABSPMG-UHFFFAOYSA-N	313.313	1.238	50	20	DDGD	
CCO[C@@H]1CCCC(=NNC(=O)C(=O)Nc2ccccn2)C1	905455122	USCWEWFBVQXBBO-GFCCVEGCSA-N	304.350	1.471	50	20	DDGD	
OB(O)[C@@H]1CCN(Cc2c(F)cccc2OC(F)(F)F)C1	585077552	VSSHHOSEMOKIHI-MRVPVSSYSA-N	307.052	1.773	50	20	DDGD	
CCc1c(NCc2ccccc2B(O)O)cnn1CCC(C)C	585037523	AOOLVFLLGJFKJY-UHFFFAOYSA-N	315.226	1.784	50	20	DDGD	
Cc1nn(C(C)C)c(C)c1S(=O)(=O)NNC(=O)CC(C)C	734419267	OHSPJEGFJBFYJC-UHFFFAOYSA-N	316.427	1.436	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)Cc1ccccc1F)C(F)F	836513483	WZNLIRCNJZNLOC-JTQLQIEISA-N	303.284	1.742	50	20	DDGD	
COCCN(C)NC(=O)c1cc(-c2cnn(C)c2)ccc1F	837625676	UOADNOMIHPDCHR-UHFFFAOYSA-N	306.341	1.449	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)CCc2ccon2)nc1C	831780185	PWUVFLZHTGVRBX-UHFFFAOYSA-N	319.321	1.026	50	20	DDGD	
OB(O)[C@@H]1CCN(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C1	585075544	IJCFSRWBHGTOMT-SECBINFHSA-N	324.552	1.109	50	20	DDGD	
O=C(C[C@H]1C[C@H]2CC[C@H]1O2)NNC(=O)c1c[nH]c2ccccc12	836236935	WWLAHAXZVNTISQ-UEKVPHQBSA-N	313.357	1.887	50	20	DDGD	
C[C@H]1CCC[C@H]([C@H](C)NC(=O)NNC(=O)C(=O)N2CCCC2)C1	838732983	RAYJWZSBFDIDRU-AVGNSLFASA-N	324.425	1.154	50	20	DDGD	
CCCC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1	730576261	NLKHTEBGZPMVSC-CYBMUJFWSA-N	308.403	1.742	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(S)n1)c1cccc(F)c1	730585245	AQYBAJXSYPZQSE-UHFFFAOYSA-N	320.349	1.693	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@@H]1C[C@H]1c1cncn1C	830331312	BDIUKELFBBUVPO-ZIAGYGMSSA-N	312.373	1.222	50	20	DDGD	
CC(C)N1CCC(NC(=O)NNC(=O)CC(F)(F)F)CC1	918056760	RKZSKWSMVGNSSS-UHFFFAOYSA-N	310.320	1.142	50	20	DDGD	
CC(C)(C)N1C[C@@H](C(=O)NNc2nccnc2Cl)CC1=O	734261642	REJUZHOUZJVOIG-QMMMGPOBSA-N	311.773	1.220	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1	910154779	GHZWOEXSLHRVCF-UFBFGSQYSA-N	321.204	1.761	50	20	DDGD	
CC1CCN(c2ccc(CNS(=O)(=O)CCl)cn2)CC1	830018625	PEUKRDCVZDQCLH-UHFFFAOYSA-N	317.842	1.934	50	20	DDGD	
CN1CCN(C(=O)CCCC[C@H]2CCSS2)[C@@H](CO)C1	912749440	YYOQIGYVHPPTAB-OLZOCXBDSA-N	318.508	1.835	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC1	831059309	UHYUUSAOZCROAK-UHFFFAOYSA-N	305.334	1.683	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(Br)c(F)cc1F	910153061	QIISSGQSHYOWEJ-ZCFIWIBFSA-N	323.137	1.685	50	20	DDGD	
Cc1cn(-c2ccccc2Cl)nc1C(=O)NN(C)C[C@@H](C)O	910154690	FBJLILYOHBJMNJ-LLVKDONJSA-N	322.796	1.792	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NNc1cc(O)nc2ncccc12	913992902	LGGFOFGTIXRVOO-GHMZBOCLSA-N	315.377	1.651	50	20	DDGD	
Cc1occc1CNC(=O)NNC(=O)Cc1ccc(F)cc1	919782136	IXWWXPDAMXVRMH-UHFFFAOYSA-N	305.309	1.800	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)nn1C	917519154	JWQGYEVGOMWGDM-UHFFFAOYSA-N	316.405	1.706	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2	844351574	WRFMGCUUJFAMJJ-VNHYZAJKSA-N	314.385	1.987	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)CNC(=O)c2cccnc2)C[C@@H](C)C1	747765677	HTTOVSDGISDZTL-RYUDHWBXSA-N	302.378	1.740	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCCCC(=O)c1ccc(F)cc1	910158397	DTJZOUCHIKZEGR-LBPRGKRZSA-N	310.369	1.913	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CC1(NC(=O)OC(C)(C)C)CCC1	910162011	BQEYKRCZGLVUGP-NSHDSACASA-N	315.414	1.168	50	20	DDGD	
CC1(C)CC=C(C(=O)NNc2ccccc2S(N)(=O)=O)CC1	842258031	QSUCOYSFCGVZLD-UHFFFAOYSA-N	323.418	1.914	50	20	DDGD	
COCCC(C)(C)C(=O)NNc1ccc(CC(=O)OC)cc1	846377842	NIQIGEXQKPNPQI-UHFFFAOYSA-N	308.378	1.908	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2c[nH]nc2C1)c1cccc(Cl)c1	742473155	ZQRSWLPJTGEHOO-SNVBAGLBSA-N	318.764	1.629	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ncncc1F)C(=O)OC(C)(C)C	843896462	XBAXNBXXKAVZIT-JTQLQIEISA-N	312.345	1.673	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cc([N+](=O)[O-])cnc1O	749259991	NMTFFXJLUPJDJF-UHFFFAOYSA-N	319.233	1.361	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=S)NCC1CC1	849257720	FYBFMPPYERGSQC-UHFFFAOYSA-N	302.403	1.547	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@H](C)NC(=O)NNC(=O)c1ccccc1O	840416898	ODLZYVDUHAIADJ-MGPLVRAMSA-N	321.377	1.540	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cccc2c1OC(C)(C)C2	748253643	PRIZUHOPPGLWGB-LBPRGKRZSA-N	320.389	1.902	50	20	DDGD	
C[C@H]1C[C@@H](C)N(CC(=O)NNC(=O)c2cccc(Cl)c2)C1	740885064	YLIFIPPNDZHLNL-WDEREUQCSA-N	309.797	1.831	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H](C)Oc2cccnc2)n1	748339058	OCEDVTSRISJNFL-QMMMGPOBSA-N	307.741	1.744	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2CCCN3CCCC[C@H]23)n1	847444282	YSHHIJQRLCXFFC-NWDGAFQWSA-N	320.397	1.128	50	20	DDGD	
CCN1C[C@H](CNC(=O)/C(C#N)=C\c2ccc(F)cc2)CC1=O	846461625	DVVOHOJLTTYITH-GRFABLRMSA-N	315.348	1.717	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cnc3ccsc3c2)n1	743485213	XPQXRQAQAXYUSC-UHFFFAOYSA-N	314.374	1.909	50	20	DDGD	
CCn1ccc(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)n1	843881405	YLQUVBUIMORXJO-UHFFFAOYSA-N	316.365	1.436	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)NC2(C)CCC2)cc1OC	840702659	GWWLTZMJZUYUDO-UHFFFAOYSA-N	323.418	1.755	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H]1CCC(C)=C(C)C1	843846216	OWYWJUKRKVYEKQ-LLVKDONJSA-N	301.481	1.981	50	20	DDGD	
CC(C)N1CCC[C@H]1C(=O)NNC(=O)Cc1ccc(F)cc1	929331294	RWFCGYQGVWOHHE-AWEZNQCLSA-N	307.369	1.388	50	20	DDGD	
COc1ccc2c(c1)OCC2=NNC(=O)NCc1ccco1	749158256	OFNHHBLMVOGBLS-UHFFFAOYSA-N	301.302	1.884	50	20	DDGD	
COC(=O)[C@H](NNC(=O)CC1CC1)c1cc(OC)cc(OC)c1	842150158	SLNJDEYRZJWYMM-OAHLLOKOSA-N	322.361	1.339	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1CCCc2cc(N)ccc21	841979660	QZWSPJTXEHTENK-CYBMUJFWSA-N	306.366	1.013	50	20	DDGD	
CCCCCCO[C@H](C)C(=O)NNC(=O)N=c1cc[nH]cc1	840445880	UCUGMGOFRSCHLM-GFCCVEGCSA-N	308.382	1.642	50	20	DDGD	
CCNCCNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	841934731	IQCXKHBXRAUIES-UHFFFAOYSA-N	306.410	1.538	50	20	DDGD	
COc1cc(Cl)cc(C=NNC(=O)N2CCOCC2)c1O	758873972	MSOOJPSRNINSMV-UHFFFAOYSA-N	313.741	1.430	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC(c2cccc(F)c2)CC1	752327770	MZOMZMCOJXOLDX-LBPRGKRZSA-N	321.396	1.951	50	20	DDGD	
CCn1nccc1NC(=O)NNC(=O)c1ccc(O)c(Cl)c1	757903300	SFUXUZACOMTAJE-UHFFFAOYSA-N	323.740	1.729	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccnn1)c1ccc([S@@](C)=O)cc1	756722208	IDXLPGKLFMHICV-ZQJOYCHOSA-N	319.390	1.601	50	20	DDGD	
O=S(=O)(CBr)N1CCC(NCC2CC2)CC1	850583435	BYRARZBZKIFOSO-UHFFFAOYSA-N	311.245	1.133	50	20	DDGD	
CNC[C@@H](C)NC(=O)NNC(=O)c1cccc2ccccc12	851681612	PPNCGRZOLVYNBY-LLVKDONJSA-N	300.362	1.392	50	20	DDGD	
C[C@H]1CC(=NNC(=O)[C@H](C)CN2CCCCC2)CN1C1CC1	753955888	RIEQEXFQTKKHOS-KGLIPLIRSA-N	306.454	1.837	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)COc2ccc(F)cc2)nc1	759738385	OBNVYJUQCCFKFC-UHFFFAOYSA-N	319.292	1.529	50	20	DDGD	
COCC(=O)Nc1ccc(NC(=O)NNC(=O)CC(C)C)cc1	755637740	HYQRORORZDAZCO-UHFFFAOYSA-N	322.365	1.470	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NCC2(N)CCCC2)ccc1F	851671023	DOKCPHIXAZTFII-UHFFFAOYSA-N	324.356	1.510	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2nc(C)c(C)[nH]2)c(OC)c1	853304744	ZDFGFFVYDUBVEF-UHFFFAOYSA-N	302.334	1.808	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@@H](C)[C@H](C)N1CCOCC1	853687269	NOVGQJHVALDOBJ-STQMWFEESA-N	324.400	1.869	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1scnc1C	853388154	DJPKCQVNMKXUOC-NEPJUHHUSA-N	308.407	1.155	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Nc2cc(C)nn2C)c1C	853838021	IPNZRXSAPOSGRP-UHFFFAOYSA-N	317.349	1.972	50	20	DDGD	
NC(=O)c1ccc(CC(=O)NNc2c(F)cccc2F)cc1	754231865	ALTPEOCYVLMFRT-UHFFFAOYSA-N	305.284	1.750	50	20	DDGD	
Nc1c(Cl)cc(C(=O)NNC(=O)NCC2CC2)cc1Cl	858782377	UCWFUPCXEGEHHZ-UHFFFAOYSA-N	317.176	1.930	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)c1N	758298880	DXOIQEAGAHWKPL-UHFFFAOYSA-N	324.266	1.650	50	20	DDGD	
Cc1cnn(CC(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])c1	920475865	OBJULHLXJLQGTQ-UHFFFAOYSA-N	309.713	1.896	50	20	DDGD	
Cc1cc(NNC(=O)CN(C(=O)OC(C)(C)C)C(C)C)ncn1	857127309	PJNHGVDMGFSBBY-UHFFFAOYSA-N	323.397	1.874	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)N[C@@H]1CC=CCC1	853764449	VKDBRTCXKPOQEW-GFCCVEGCSA-N	324.425	1.368	50	20	DDGD	
CC(=O)NCc1ccc(C(=O)NNC(=O)c2ccccc2)cc1	921184314	JUPPHBVQVVREPB-UHFFFAOYSA-N	311.341	1.398	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)COc1ccc(C#N)cc1)C1CC1	920053329	DPQYOCINUWCITE-LLVKDONJSA-N	316.361	1.314	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)Oc1ccccc1F)c1nccn1C	755552674	PNXGRRPRTHOCJA-LLVKDONJSA-N	304.325	1.867	50	20	DDGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)[C@H]1CN(C)CCO1	752618605	MSINANVSWGDFIZ-WXHNGTRTSA-N	317.364	1.568	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Cc1c(F)cccc1F	755301264	IBJGZSWZAZQCEW-UHFFFAOYSA-N	320.295	1.977	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1CCCC1=NNC(=O)c1cc[nH]n1	853392788	VEZXCZQMJDZESG-VIFPVBQESA-N	307.354	1.573	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NNC(=O)CC(F)(F)F)cc1	755500832	QWRDWKNJXNBXBW-UHFFFAOYSA-N	318.255	1.151	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)C(=O)NC2CC2)c(C)c1	853282887	UYFHKRQQUORACK-UHFFFAOYSA-N	303.362	1.513	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1nnc(CC(C)C)s1	755412021	NUMXWRJCUHYAND-UHFFFAOYSA-N	323.382	1.235	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@H]2C=NNC(=O)c2cccnc2)cn1	853256234	UFBVVJZSMKIABB-SWLSCSKDSA-N	313.361	1.699	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H]2CC(=O)N(C(C)C)C2)c1	858283359	HPMCYGCISRNJOP-JTQLQIEISA-N	324.406	1.010	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C1CC(F)(F)C1	753563639	AXJMWBKHRMUDRI-MRVPVSSYSA-N	316.279	1.786	50	20	DDGD	
Cn1nncc1NNC(=O)C1(c2c(F)cccc2F)CCC1	857270440	CEJCAKTXGWYQOT-UHFFFAOYSA-N	307.304	1.658	50	20	DDGD	
CC[C@H](CO)NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	852400232	HYYAYLZHCKACPF-CYBMUJFWSA-N	307.394	1.699	50	20	DDGD	
COC1(C(C)=NNC(=O)c2ccc(-n3cnnn3)cc2)CCC1	853276792	IUMZKKQDIZUCKR-UHFFFAOYSA-N	314.349	1.337	50	20	DDGD	
CCc1c(NC(=O)NNC(=O)c2ccc[nH]2)cnn1CC(C)C	757776546	RDHYMEXUISXYTC-UHFFFAOYSA-N	318.381	1.896	50	20	DDGD	
COc1ccc(NNC(=O)c2cccnc2OC)c([N+](=O)[O-])c1	768331740	NKXLUGWNSYRSQC-UHFFFAOYSA-N	318.289	1.764	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ncc(C#N)cc1Cl	769470353	BWACSERPKKBYBA-UHFFFAOYSA-N	314.732	1.990	50	20	DDGD	
CC(=O)N1CC(C(=O)NNc2nc3ccccc3[nH]c2=S)C1	862292105	AFTWEDGUTRGTCS-UHFFFAOYSA-N	317.374	1.214	50	20	DDGD	
C[C@H](NNC(=O)C(=O)NCc1ccc(F)cc1)C(F)(F)F	862313956	RRMLUFDRNJYJSG-ZETCQYMHSA-N	307.247	1.014	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1nc[nH]c1C(C)(C)C)C1CC1	869219486	VIBKVMHJURPMLW-MRVPVSSYSA-N	309.439	1.615	50	20	DDGD	
O=C(Cc1ccco1)NNC(=O)c1cc(Br)c[nH]1	764608035	MYWKCMPFJOPYFH-UHFFFAOYSA-N	312.123	1.374	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCc1cccc(C(N)=O)c1	866469695	WJGVFDGELWVUMY-UHFFFAOYSA-N	318.826	1.470	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccccc1CC#N	867162082	CCWZYBRTIUACFN-UHFFFAOYSA-N	308.432	1.225	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1nc2ccccc2[nH]1	768501553	IHUKTCOFRBWEKR-VIFPVBQESA-N	319.365	1.919	50	20	DDGD	
CCc1nn(C)c(CC)c1S(=O)(=O)NCC(Cl)Cl	867470898	YTMGYTZWDOTHIH-UHFFFAOYSA-N	314.238	1.627	50	20	DDGD	
OB(O)c1cccc(CNc2cc3c(cc2Cl)OCO3)c1	864030305	JCAVJTNZZDGUQV-UHFFFAOYSA-N	305.526	1.361	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(N(C)C(C)=O)cc1	768547719	RLIHDISOUCBXJM-UHFFFAOYSA-N	307.354	1.367	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc(N2CCOCC2)nc1)C(F)(F)F	862306144	DRZVCEYHDODPSF-SECBINFHSA-N	318.299	1.103	50	20	DDGD	
C[C@@H](NNC(=O)c1cnc(C(F)(F)F)nc1)C(F)(F)F	862319185	YJDBMZDCHFYGGV-SCSAIBSYSA-N	302.178	1.681	50	20	DDGD	
COc1cccc(OC)c1C(=O)NNC(=O)NCc1ccco1	761459244	HHGKOHPERUZIGB-UHFFFAOYSA-N	319.317	1.441	50	20	DDGD	
CC[C@](C)(NC(=O)NNC(=O)c1cnccn1)C(F)(F)F	933522852	SVPJWFZTLTZLNU-JTQLQIEISA-N	305.260	1.152	50	20	DDGD	
CC(=NNC(=O)CS(C)(=O)=O)c1sc(C(C)C)nc1C	863189216	DJGBJABMKHWOSV-UHFFFAOYSA-N	317.436	1.460	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNc1cnnc2ccccc12	763224775	OKUCELVJCCWYJL-UHFFFAOYSA-N	302.334	1.662	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2conc2C(C)C)c(O)c1	863859686	OWSFMZJJIKJAQK-UHFFFAOYSA-N	303.318	1.887	50	20	DDGD	
C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NN[C@@H](C)C(F)(F)F	862320360	QDUGZKSPYKTFSG-YUMQZZPRSA-N	313.320	1.719	50	20	DDGD	
CO[C@@]1(CNC(=O)NNC(=O)Nc2ccccc2C)CCOC1	763709166	ISIOGQHFVVBABV-OAHLLOKOSA-N	322.365	1.136	50	20	DDGD	
Cn1ncnc1COC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	869459458	CTKFYYWTIFXBPO-HOTUBEGUSA-N	314.183	1.812	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)N1CC2(CCC2)c2c(F)cccc21	763437733	FWUCTXSZXHMOFW-UHFFFAOYSA-N	319.336	1.151	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1coc(S(N)(=O)=O)c1	765008551	LKTCIAUEPYJGKK-UHFFFAOYSA-N	313.310	1.131	50	20	DDGD	
COc1nccnc1NNC(=O)C(=O)Nc1cccc(Cl)c1	766264878	RIIVKPLWQTVBGQ-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1ccnc(Cl)c1	768584489	RGOXCVAFPDCQKZ-UHFFFAOYSA-N	307.766	1.761	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2ccn(C(C)C)n2)cc1	1119928986	GFUVWNGVOKRJHD-UHFFFAOYSA-N	316.361	1.476	50	20	DDGD	
COC1(OC)CCOC[C@@H]1NC[C@H](CBr)C1CC1	1119827173	ZABSRZDHIPQEFI-RYUDHWBXSA-N	322.243	1.775	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)CC[C@@H](C)OC)cn1	874954264	RGHHZDHDROJZKW-SECBINFHSA-N	312.395	1.223	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cn[nH]c1)C(C)(C)c1ccccc1	875224532	YZWSBHSIYBWWLV-NSHDSACASA-N	315.377	1.720	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CCCCN2C)c([N+](=O)[O-])c1	768332312	HQMUAWCXZRQTHB-LBPRGKRZSA-N	308.338	1.531	50	20	DDGD	
COc1cc(F)cc(NC(=O)C(=O)NNc2ccc(C)nn2)c1	1116726800	SQCBZILORXVYTC-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@H](C)c1ccc(C#N)cc1	775159101	DINFQVLIQPEBHP-CHWSQXEVSA-N	316.405	1.791	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@H](C)CC(N)=O	873854373	YCRGBMBFTACFPQ-SNVBAGLBSA-N	322.434	1.387	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1ccn(C(F)F)n1	775643414	XKKCFNBEPVAFSH-UHFFFAOYSA-N	312.251	1.421	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCN([C@H]2CCC[C@@H](C)C2)CC1	779817297	OEOAQFWNMLJYBF-OCCSQVGLSA-N	324.425	1.489	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc(-n2ccnc2)cc1	1115929732	NHMHDXPGVBVKDL-UHFFFAOYSA-N	303.391	1.390	50	20	DDGD	
CC(C)N1CCC(CCNC(=O)NNC(=O)c2ccc[nH]2)CC1	876031592	LHQBTOYNQZYEDI-UHFFFAOYSA-N	321.425	1.469	50	20	DDGD	
N#CSCCCNC(=O)Cc1csc(N2CCCC2=O)n1	773587709	JPAXUBCOXGCDTQ-UHFFFAOYSA-N	324.431	1.533	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccc3cccnn23)cc1	777792310	XWZIERJRQHNGEM-UHFFFAOYSA-N	324.340	1.483	50	20	DDGD	
CCC(=O)NCc1cn(/C(Cl)=C/CBr)nn1	881310741	OHKBHHRCJPCSHW-FPYGCLRLSA-N	307.579	1.736	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@@H]1C[C@@H]1c1cccc(F)c1	883224550	OALGHRCCUQZCDA-ZIAGYGMSSA-N	321.352	1.439	50	20	DDGD	
C#CCCCC(=O)NNC(=O)/C=C\c1cc(C(=O)OC)co1	887153383	SVAZOSBMNKDFPN-FPLPWBNLSA-N	304.302	1.030	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)CN1CCc2ccccc2C1=O	788745559	HPGYAHWFVGWWEG-UHFFFAOYSA-N	317.389	1.269	50	20	DDGD	
CNC(=O)[C@H]1CCCCN1C(=O)[C@@H](Br)C(C)(C)C	781098490	UARJKZXDAWMPJT-NXEZZACHSA-N	319.243	1.923	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)NCCC#N)n[nH]2)cc1	787358550	KTTFMGAYBNUBNK-UHFFFAOYSA-N	312.333	1.243	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H](C)O	789940429	YITQXSMWCHCRNO-LJVYNOFUSA-N	308.422	1.757	50	20	DDGD	
CO[C@@H](Cc1ccccc1)C(=O)NNC(=S)NC(C)(C)C	899997424	SHBPQPISTQVTAV-LBPRGKRZSA-N	309.435	1.538	50	20	DDGD	
C[C@H](NNC(=O)c1cc([C@@H]2CCCN2C)[nH]n1)C(F)(F)F	897881329	RHZQRZPFQRYXGQ-XVKPBYJWSA-N	305.304	1.362	50	20	DDGD	
COC[C@H](C)OC(=O)/C(C#N)=C\c1cccc(C(=O)N(C)C)c1	899339289	PVPXCSWQHPIUPU-ZENNRRHLSA-N	316.357	1.873	50	20	DDGD	
CCNC(=O)CN(CC)C(=O)[C@H](Br)C(C)(C)C	781078640	LNYSIDABJDTNOA-JTQLQIEISA-N	307.232	1.781	50	20	DDGD	
CSc1nnc(CNC(=O)NNc2cccc(C#N)c2)s1	783058699	DJXPBJIYMPSLGS-UHFFFAOYSA-N	320.403	1.958	50	20	DDGD	
Cn1cc(NC(=O)NNC(=O)C(C)(C)C)c(C(F)(F)F)n1	782818280	NOQJXOSIKZWYMJ-UHFFFAOYSA-N	307.276	1.638	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2cnc(C)n2C)c1C	899937522	NINMVGSCRCLBAW-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccc(C(=O)c2cccc(O)c2)cc1	780160116	TZIZQBBRQPUPCP-UHFFFAOYSA-N	324.336	1.794	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cc2cn3ccccc3n2)c1	780796377	WCOVOPNESWGNDB-UHFFFAOYSA-N	324.340	1.807	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)n1	788001392	NEAOUCFZDLDREW-RKDXNWHRSA-N	311.773	1.173	50	20	DDGD	
C[C@@H](Cc1ccccc1)NC(=S)NNC(=O)c1cccn1C	786059783	DUCHRURKZSPJQI-LBPRGKRZSA-N	316.430	1.765	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@@H]1COc2cc(F)cc(F)c21	784572032	VGKWQEHBIOXOKK-SECBINFHSA-N	313.304	1.775	50	20	DDGD	
CN1Cc2cc(OS(=O)(=O)CBr)ccc2C1=O	782478910	JMYRGLYFZZVKMJ-UHFFFAOYSA-N	320.164	1.333	50	20	DDGD	
CCc1cncc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1	789867578	RULYTQSQUZHCHK-UHFFFAOYSA-N	313.313	1.448	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ncccc2C)cnc1Cl	792378357	OPEFELYVGRVKGE-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ocnc2C)c2ccccc2n1	799009519	APZBEQXRAJSWOC-UHFFFAOYSA-N	310.313	1.914	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)c1cccc(OC)c1O	795011118	DIPAVMAMCAZAMI-RNCFNFMXSA-N	310.350	1.223	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H]2C[C@H](C)O[C@H](C)C2)n1	793028888	SBOFKXPYCQTULN-ZSBIGDGJSA-N	306.366	1.290	50	20	DDGD	
COc1nccnc1NNC(=O)c1cn(C)nc1-c1ccoc1	790932356	YJBSMYLEXBDXID-UHFFFAOYSA-N	314.305	1.236	50	20	DDGD	
CCOc1ncccc1C(=O)NNC(=O)c1cccc(C)n1	794075263	MQSCBQVTDAWZMZ-UHFFFAOYSA-N	300.318	1.259	50	20	DDGD	
CN(NC(=O)C(=O)Nc1cccc(Cl)n1)c1ccccc1	793043895	VTWLCPGQWQLKJC-UHFFFAOYSA-N	304.737	1.841	50	20	DDGD	
CC[C@H](C)CC[C@H](O)CC(=O)NNc1ccc(C(=O)OC)cn1	793735929	RZUCOGYWDYVNLM-AAEUAGOBSA-N	323.393	1.889	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccccc1N1CCCC1=O	1317774017	ROWVCLPBEZTIBU-UHFFFAOYSA-N	318.402	1.108	50	20	DDGD	
COCC(=O)NCCC(=O)NNc1ccc(C(F)(F)F)cc1	1319590254	OCYTXWZDYAJVPR-UHFFFAOYSA-N	319.283	1.301	50	20	DDGD	
CN(C)c1ccc(CCNC(=O)NNc2cccnn2)cc1	1318660239	KGBHVQSKLQWXMX-UHFFFAOYSA-N	300.366	1.411	50	20	DDGD	
O=C(COCc1ccncc1)NNc1ccc2c(=O)[nH]ccc2c1	1327668306	IIOJDNARQFGYSJ-UHFFFAOYSA-N	324.340	1.583	50	20	DDGD	
O=C(NNC(=O)[C@]1(F)CCOC1)c1cc(-c2cccs2)[nH]n1	1326802002	URRYPVODPAFYBE-ZDUSSCGKSA-N	324.337	1.028	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccccc1Cl)N1CCCC1=O	1323183674	XPEYRQOSOMPSMV-GFCCVEGCSA-N	323.780	1.502	50	20	DDGD	
C=C[C@H](COC)NC(=O)NNC(=O)C(C)(C)c1ccccc1	1255014246	WMKPFPAKHPUPJP-CYBMUJFWSA-N	305.378	1.496	50	20	DDGD	
Cn1cnnc1COCC(=O)OC[C@@]1(C)C[C@@H]1Br	1263536806	FOFTVBWXPLUUAN-GZMMTYOYSA-N	318.171	1.048	50	20	DDGD	
COCc1nocc1C(=O)NNc1cccc(F)c1[N+](=O)[O-]	1347497154	NLJBDQHCJUUAIV-UHFFFAOYSA-N	310.241	1.625	50	20	DDGD	
CC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)C1CCNCC1	1348550713	IOCYZAKKEPEAOZ-HNNXBMFYSA-N	318.421	1.338	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccccc1-n1ccc(C2CC2)n1	1345490376	CQEXWIFBLCSZDY-UHFFFAOYSA-N	310.357	1.921	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)CO[C@H]1CCOC1	1261829296	KUVPUNFFJXLNBY-ZDUSSCGKSA-N	308.334	1.092	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2coc(C(F)(F)F)n2)nc1	1602384041	BMDDNOOBFVMSDY-UHFFFAOYSA-N	316.195	1.544	50	20	DDGD	
O=C(/C=C/c1ccc(C(=O)O)o1)NNC(=O)CC(F)(F)F	1605660034	RNOSVRCWQALVBC-DUXPYHPUSA-N	306.196	1.091	50	20	DDGD	
COC1(C(=O)NNc2ncccc2C(=O)O)CCCCCC1	1604479952	DCUWZKWAHPNJRP-UHFFFAOYSA-N	307.350	1.962	50	20	DDGD	
O=C(NCCc1cccc(C(=O)O)c1)NNC(=O)C1CCC1	1601512633	AHHKQFPQUWSHOE-UHFFFAOYSA-N	305.334	1.058	50	20	DDGD	
Cc1nc(C(=O)NNc2ccc(F)cc2)ccc1-c1nn[nH]n1	1606030411	AICDFOFAIDZZTN-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNc2ccccc2C(=O)O)CC1=O	1609977955	IJBOMNIIMBFFMA-JTQLQIEISA-N	305.334	1.086	50	20	DDGD	
COc1nn(C)cc1C(=O)NNc1ccc(C)c(C(=O)O)c1	1607362550	WEEKEMHEOYZJEP-UHFFFAOYSA-N	304.306	1.192	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CCSCC(=O)O	1600305059	HANIPDSUFZRNQR-UHFFFAOYSA-N	313.335	1.554	50	20	DDGD	
CN1CCC(CCNC(=O)NNc2ncccc2C(=O)O)CC1	1604202339	CEODNOJTDNEJRP-UHFFFAOYSA-N	321.381	1.138	50	20	DDGD	
N#Cc1cccc([C@@H]2C[C@H]2C(=O)NNc2ccc(C(=O)O)cn2)c1	1601124491	NIQCRJXJIARVFU-UONOGXRCSA-N	322.324	1.898	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2cccc3[nH]ncc23)cc1	1602129154	QYDMIRUCRICTAR-UHFFFAOYSA-N	310.313	1.947	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCc2c(cccc2C(=O)O)C1	1603301211	UFVPGRCKMCNMJM-UHFFFAOYSA-N	319.361	1.530	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H]2NCC23CCCC3)c1	1579772735	IKILEXHCCDREGZ-HNNXBMFYSA-N	317.389	1.053	50	20	DDGD	
O=C(C1CC(F)(F)C1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843361624	NUHLLPMXSSCZFJ-SECBINFHSA-N	324.730	1.770	50	20	DDGD	
CC(C)N(C)CC(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1846712059	YUSSHYXORGQHOX-LBPRGKRZSA-N	319.808	1.064	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]c1=S)[C@H]1CC12CNC2	1580742957	LFWHCRIFMFLZCN-MRVPVSSYSA-N	301.375	1.345	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)C1=C2CCN=C2NC=C1	1580739524	ICLMXXFHIUVGSP-UHFFFAOYSA-N	322.328	1.395	50	20	DDGD	
O=C(O)CC1(C(=O)NNc2cccc(Cl)n2)CCOCC1	1594976566	XKWFBQDLXXPQHV-UHFFFAOYSA-N	313.741	1.450	50	20	DDGD	
CC(C)O[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1844327690	DNXRISAIBJLKST-GHMZBOCLSA-N	320.792	1.538	50	20	DDGD	
CNc1cc(C(=O)NNc2ccc(C(=O)O)cn2)cc(Cl)n1	1598676323	PQCBQLXMDGSJHC-UHFFFAOYSA-N	321.724	1.627	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCc2cccc(C(=O)O)c2C1	1596859601	FITGQFZKLVZZBP-BENRWUELSA-N	300.314	1.713	50	20	DDGD	
Cc1[nH]nc(NC(=O)C2CCC(Cl)CC2)c1-c1nn[nH]n1	1592327683	LWIJKYWRGFZXCV-UHFFFAOYSA-N	309.761	1.634	50	20	DDGD	
O=C(O)[C@H]1CC[C@H](CNS(=O)(=O)CCCCCl)CC1	1777661070	SXAKIPYOSAYHQW-XYPYZODXSA-N	311.831	1.816	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2ccccc2C(=O)O)cc1	1776098849	BPKYYWIXCHIQCP-UHFFFAOYSA-N	312.281	1.847	50	20	DDGD	
CCN(CC)c1ccc(S(N)(=O)=O)cc1NC=C(C#N)C#N	15242809	CDLDCWAKYXHLRO-UHFFFAOYSA-N	319.390	1.523	50	20	DDGD	
O=C(NNC(=O)c1cccnc1SC(F)F)c1ccccn1	17329137	BAXZEZUOGNAFOS-UHFFFAOYSA-N	324.312	1.866	50	20	DDGD	
CC(C)C(=O)N/N=C1/C(=O)Nc2cc3c(cc21)OCCCO3	17418940	ODRKPRMKGODLOZ-UHFFFAOYSA-N	303.318	1.276	50	20	DDGD	
COC(=O)NNC(=O)[C@H]1C[C@H]1c1cccc(Br)c1	158775389	OUCIKUBTSGBZOA-UWVGGRQHSA-N	313.151	1.940	50	20	DDGD	
CCOC(=O)[C@H]1CCCCN1S(=O)(=O)CCCCCl	163403124	JQALKCJRNWECIU-LLVKDONJSA-N	311.831	1.753	50	20	DDGD	
CC[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc(C)n[nH]1	153308506	AQMMVAJPKFJHGC-GFCCVEGCSA-N	320.324	1.476	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C(C2CC2)C2CC2)c1	156203452	QPCOPRKYWJHEOI-UHFFFAOYSA-N	317.389	1.691	50	20	DDGD	
CNC(=O)/C(C#N)=C/c1cc(Br)c2c(c1)OCO2	7209970	OAADBTTWUDRJAM-KRXBUXKQSA-N	309.119	1.831	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NNC(=O)CC1CCCCC1	156880781	IEGZJWDZBNXUOB-UHFFFAOYSA-N	307.350	1.127	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(-n3cncn3)cc2C)nc1	159477805	POQLLIMBEZTYGN-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
COc1ccc(NNC(=O)CCc2c(C)nn(C)c2C)nc1	159584524	SZKMWWKJRPSQCU-UHFFFAOYSA-N	303.366	1.516	50	20	DDGD	
C[C@@H](CBr)CN1CCCC[C@H]1CS(C)(=O)=O	831782159	FHINZYLYKCBDHI-QWRGUYRKSA-N	312.273	1.917	50	20	DDGD	
CCc1noc(C)c1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	7910076	OMACLWFDFQYBNY-UHFFFAOYSA-N	318.289	1.528	50	20	DDGD	
Cc1cc(CNC(=O)NNc2ncnc3ccsc23)on1	119217148	XTLFGGBEBVYGSK-UHFFFAOYSA-N	304.335	1.814	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCCc2cccnc2)c1	103508667	LGCKOSPISIMLNC-UHFFFAOYSA-N	309.329	1.140	50	20	DDGD	
COc1ccnc(NNC(=O)c2cnc3ccc(F)cc3c2)n1	179495785	KPJKRILREVFDOD-UHFFFAOYSA-N	313.292	1.929	50	20	DDGD	
C[C@H](NC(=O)NNc1cc(F)c(F)cc1F)C(=O)N(C)C	172135538	MUWZHFHFTMFTCN-LURJTMIESA-N	304.272	1.207	50	20	DDGD	
C[C@H](C(=O)NNC(=O)NC1CCCCC1)N1CCSCC1	179150859	NYNSKRGNMVWSHY-LLVKDONJSA-N	314.455	1.087	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1cc2c([nH]c1=O)CCCC2	118498724	FDGFPAHTWGBZNU-UHFFFAOYSA-N	319.752	1.454	50	20	DDGD	
CCn1ccnc1SCC(=O)NNC(=O)c1cccs1	21830208	KVDKNXVSVLVDQL-UHFFFAOYSA-N	310.404	1.518	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)CCCc2ccccc2)on1	69307998	VDEFHKIFCUODLP-UHFFFAOYSA-N	316.361	1.836	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2c(O)cccc2F)c1	119876803	ZEUUMBBUIVKVGL-UHFFFAOYSA-N	317.320	1.672	50	20	DDGD	
Cc1ccc(NNC(=O)NCC2(C(=O)N(C)C)CCCC2)nn1	113411317	RCDFJEDHCMZDRJ-UHFFFAOYSA-N	320.397	1.060	50	20	DDGD	
CC(C)(C)n1ncc2c(=O)[nH]c(NNC(=O)c3ccco3)nc21	111054077	XEICZEDAXGMIMP-UHFFFAOYSA-N	316.321	1.225	50	20	DDGD	
CCc1ncsc1C(=O)NNc1ccc(C(=O)OC)cn1	179796420	NCWBHTHTQPOZRD-UHFFFAOYSA-N	306.347	1.644	50	20	DDGD	
N#Cc1ccc(F)c(CNC(=O)NNC(=O)c2ccccc2)c1	174777849	IIHLOAZKMDCPLG-UHFFFAOYSA-N	312.304	1.842	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNC(=O)c2cc3ccccc3o2)cc1	177747939	QXWCXSFGHQNJGJ-UHFFFAOYSA-N	323.308	1.607	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cccc(NC(=O)C2CC2)c1	122554005	UYRSVSQKUFIBBG-UHFFFAOYSA-N	315.308	1.721	50	20	DDGD	
COCCOc1ccccc1C(=O)NNc1cc(C)nc(C)n1	128558921	RHDXTBMOBDGZGN-UHFFFAOYSA-N	316.361	1.876	50	20	DDGD	
C[C@@H](CCOc1ccccc1)C(=O)NNC(=O)c1cccnc1	72934443	JUTBVROXXJONFU-ZDUSSCGKSA-N	313.357	1.948	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C(C)(C)C)c1nc(C(C)(C)C)no1	74897725	XNSPNMHGZAFYEM-MRVPVSSYSA-N	311.386	1.805	50	20	DDGD	
C[C@@H](NCC(=O)NNC(=O)c1ccc(F)cc1)c1ccccc1	126816499	NXIWOPJNSBABDS-GFCCVEGCSA-N	315.348	1.938	50	20	DDGD	
O=C(Cn1cc(C2CC2)nn1)NNc1ccc2ccccc2n1	181113174	RVRWSVVSPUZTDA-UHFFFAOYSA-N	308.345	1.847	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)ncc1Cl)c1cccnc1	122050111	PGNPWDVOZFGRAT-UHFFFAOYSA-N	311.128	1.858	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@@H]2CCCO2)c1C	32261962	WUPJQZYQTYXMEF-JSGCOSHPSA-N	306.362	1.397	50	20	DDGD	
CC(C)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc[nH]2)cc1	123251985	OBXFDPVFLWUULC-UHFFFAOYSA-N	314.345	1.538	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1cccc(C(F)F)c1	184493094	SVIVRVOJGSPBHX-UHFFFAOYSA-N	313.304	1.756	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	131590972	AQWTWWXTUBJQLV-UHFFFAOYSA-N	314.301	1.985	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3cccnc3)[nH]n2)o1	192668427	PNVYXCCJOBJZMA-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
CC(C)Oc1cccc(C(=O)NNc2ncnc3nc[nH]c23)n1	133873833	ARIQMIHORCQJAK-UHFFFAOYSA-N	313.321	1.292	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1ccc(C)c(Br)c1	131763815	LUYVRJKKQRNGQA-UHFFFAOYSA-N	307.169	1.087	50	20	DDGD	
CN(C)C(=O)CCCC(=O)NNc1ccc(C(F)(F)F)cn1	132376350	VKMWYQFQTKOPPK-UHFFFAOYSA-N	318.299	1.802	50	20	DDGD	
CO[C@H](C)CC(=O)NNC(=O)Cc1ccc2ccccc2c1	195495443	CINLWVXYDGRNFP-GFCCVEGCSA-N	300.358	1.955	50	20	DDGD	
Cc1ccccc1C[C@@H](C)NC(=O)NNC(=O)c1ccc[nH]1	193390007	PERJLUYWSWFDFM-GFCCVEGCSA-N	300.362	1.898	50	20	DDGD	
COc1cccc(OCC(=O)NNC(=O)CC2CCCC2)c1	195222318	GGAKRKMGLRSIOV-UHFFFAOYSA-N	306.362	1.802	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CCc1cncn1C	193061180	GDXHIDADTMPHRC-UHFFFAOYSA-N	305.290	1.875	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cnc2ccsc2c1	84460716	JZDXTVMGJNUNJV-MRVPVSSYSA-N	313.404	1.652	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cc(C)on2)cc1	98109099	DJOQPXKKMCLHHA-UHFFFAOYSA-N	303.318	1.385	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=O)Cc1ccc(F)cc1	249752562	RTHCCIQCBBMJJC-JHJVBQTASA-N	321.396	1.777	50	20	DDGD	
CCN(CC)S(=O)(=O)NNC(=O)C(C)(C)c1ccccc1	264877773	SVJCVMBONVKBEE-UHFFFAOYSA-N	313.423	1.172	50	20	DDGD	
C[C@H]1CC[C@H](CC(=O)NNC(=O)CNC(=O)c2cccs2)C1	268253291	HZBOWLBKOHFGAX-QWRGUYRKSA-N	323.418	1.452	50	20	DDGD	
CC[C@H](Oc1ccccc1C)C(=O)NNC(=O)NCCCOC	267214145	STSTXQNZKXTHAL-ZDUSSCGKSA-N	323.393	1.519	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)COc1ccccc1OC	266245662	QLEVEVWDALWQQM-UHFFFAOYSA-N	322.361	1.204	50	20	DDGD	
CC(C)(C)[S@](=O)CCNC(=O)NNc1ccc(Cl)nc1	266756461	GIUBOAGXLMANCK-HXUWFJFHSA-N	318.830	1.908	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)c1ccc2c(c1)OCCO2	269734144	ZWLUSZVAAOFAJE-JTQLQIEISA-N	308.334	1.034	50	20	DDGD	
CCCc1nc(C(=O)NNC(=O)COc2ccc(C)cc2)co1	273540432	JKAXAKQBPBLEDB-UHFFFAOYSA-N	317.345	1.776	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2nc(O)c3ccccc3n2)CCO1	272077120	QMDGZDZRPUQHRI-UWVGGRQHSA-N	302.334	1.594	50	20	DDGD	
COc1cccc(C2(NS(=O)(=O)CBr)CC2)c1	272835613	RXQDKNYAEDBZQT-UHFFFAOYSA-N	320.208	1.956	50	20	DDGD	
C[C@@H](CNS(=O)(=O)CBr)N(C)c1ccccc1	271390513	LWLDUPODLDPSRZ-JTQLQIEISA-N	321.240	1.783	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)NOCCC(F)(F)F	275352948	JZAFBKGUDPCTJL-UHFFFAOYSA-N	307.228	1.220	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)[C@H]1CCCN1C1CC1	278716198	QGJXLUXINWAYIP-MRXNPFEDSA-N	315.417	1.784	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)c2ccc[nH]2)c1CC	277204291	VZGPWQAPUFUXGH-UHFFFAOYSA-N	303.366	1.649	50	20	DDGD	
CCC1(C(=O)NNC(=O)CNc2ccc(C)cc2)CCOCC1	272546040	CMILKKDXXCKDFT-UHFFFAOYSA-N	319.405	1.761	50	20	DDGD	
CC1(C)C[C@@H]1NC(=O)NNC(=O)CSc1ccccc1O	270625041	KVBOGGFABUQAGA-NSHDSACASA-N	309.391	1.613	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@@H]2CC[C@@H](O)C2)cc(C#N)n1C	276905425	QIFLWVDCDADASM-PPFBMOACSA-N	312.373	1.389	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)[C@@H]2CCCN2C2CC2)c1	280126069	GDCSNURMRHTRKD-AWEZNQCLSA-N	323.418	1.160	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(CC(=O)NNc2cccc(F)n2)C1	286400151	HKQLCJDJFHQEMR-UHFFFAOYSA-N	324.356	1.921	50	20	DDGD	
COCCOc1cncc(C(=O)NN(C)c2ccccc2)c1	282461816	MUQXDEDHFGVSMZ-UHFFFAOYSA-N	301.346	1.888	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@](C)(O)CCc1ccccc1	282984555	WFXUJSAZZTYHPR-OAHLLOKOSA-N	307.419	1.052	50	20	DDGD	
C=C(C)CN1CCC(NC(=O)NNc2cccc(F)n2)CC1	287519700	VLIPSXSFWOANRF-UHFFFAOYSA-N	307.373	1.887	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H]1C(=O)NNc1cc(F)c(F)cc1F	285874034	WAZPGVMZKSPNMJ-RNFRBKRXSA-N	302.252	1.746	50	20	DDGD	
COc1ccncc1NC(=O)C(=O)NCCSSC	285333955	SJHZVHFAUJVKKZ-UHFFFAOYSA-N	301.393	1.156	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC[C@@H](CO)CC1	294382212	CLHKYECCLLOXCV-MKRLJBPISA-N	300.358	1.920	50	20	DDGD	
C#CCOc1cccc(NC(=O)NNC(=O)[C@H]2CCCCO2)c1	296525821	DDZOQLUTIHZDQF-CQSZACIVSA-N	317.345	1.420	50	20	DDGD	
CN(CCC(=O)NNc1ncc(F)cn1)C(=O)OC(C)(C)C	802913344	KDUJABIRWCLRRK-UHFFFAOYSA-N	313.333	1.316	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)c3cn[nH]c3)cc2C1	298659742	JCEAPFITLQAIDS-QMMMGPOBSA-N	304.375	1.671	50	20	DDGD	
COCCN(C)NC(=O)c1cc(C)nc2onc(C(C)C)c12	294338842	JSJQZXJQVFBNBY-UHFFFAOYSA-N	306.366	1.878	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccc(-n2ccnc2)nn1)C1CC1	805183690	KFVZWAYEJDEZHB-JTQLQIEISA-N	301.354	1.335	50	20	DDGD	
C[C@@H](Oc1cccc(F)c1)C(=O)NNC(=O)[C@H]1CCCCO1	295283667	CVNPAOIBPSJNMN-ZWNOBZJWSA-N	310.325	1.310	50	20	DDGD	
COc1ccccc1OCCC(=O)NNC(=O)[C@@H]1CCCCO1	295751718	OYFIXMBZLMFFKZ-AWEZNQCLSA-N	322.361	1.181	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2c[nH]c3ccccc23)n1	809983692	QDFGSKXDEUOHLJ-UHFFFAOYSA-N	305.297	1.509	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNC(=O)c2ccccc2F)c1C	291986606	KKNXWPMVTDGAPT-UHFFFAOYSA-N	318.352	1.663	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](C)[C@H]1OCCc2sccc21	293581460	WKUZUGZFHUCPIM-BXKDBHETSA-N	311.407	1.691	50	20	DDGD	
CCOc1ccc(C(=O)NCC(=O)NNC(=O)C(C)(C)C)cc1	298816458	SPDUNSACINEWKL-UHFFFAOYSA-N	321.377	1.009	50	20	DDGD	
N#CCCCCCC(=O)OCC(=O)NNC(=O)c1cccs1	805698467	MUZNMGSYLNMWCR-UHFFFAOYSA-N	323.374	1.526	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)C(C)(C)C2CC2)C[C@@H](C)O1	806339842	KNXJKRUNEZLWNT-TXEJJXNPSA-N	311.426	1.069	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	294270503	PDFJFCCSNRIOIV-CABZTGNLSA-N	307.306	1.232	50	20	DDGD	
O=C(NNc1cnccn1)c1cc(=O)c2ccc(F)cc2o1	803118808	DRLKJUVGSNCHEQ-UHFFFAOYSA-N	300.249	1.479	50	20	DDGD	
CCCCCOCC(=O)NNC(=O)COc1ccccc1OC	299375719	KJRDBJWQUIVUKL-UHFFFAOYSA-N	324.377	1.428	50	20	DDGD	
CCC[C@H](CNC(=O)NNc1cccc(C(=O)OC)c1)OC	297541826	IXSIOIBLVRKENJ-CYBMUJFWSA-N	309.366	1.914	50	20	DDGD	
CSC[C@H]1CCCN(C(=O)NNC(=O)c2cccc(C)n2)C1	293292332	HSRLQMLDEKQOQH-LBPRGKRZSA-N	322.434	1.819	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cnc(-c2ccccc2)[nH]1	802033209	ODYXJDHDPCIHQW-UHFFFAOYSA-N	322.328	1.360	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H](O)Cc1ccccc1	805383768	OKNMWGQXIFHUKS-HNNXBMFYSA-N	315.329	1.950	50	20	DDGD	
C[C@H]1C(=NNC(=O)N2CCN(C)CC2)CC[C@@H](C(=O)O)C1(C)C	814913338	LRMZCVURLPZSII-RYUDHWBXSA-N	324.425	1.456	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2cccc(CO)c2)o1	813427185	CHYVYZPZXVQHDS-UHFFFAOYSA-N	300.318	1.919	50	20	DDGD	
CC(=NNC(=O)c1cc(-c2ccccc2)[nH]n1)c1cnnn1C	814706665	LHNKFZCGJPWDJI-UHFFFAOYSA-N	309.333	1.359	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NN=C1COCCOC1	814916367	GZGUFDNKWCJBAP-SNVBAGLBSA-N	312.753	1.626	50	20	DDGD	
CN(C)c1cccnc1CNC(=O)NNc1ncccc1F	811934153	VQPDWJSIKTWYJL-UHFFFAOYSA-N	304.329	1.508	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)c1c[nH]c2ccccc12	812452819	LZGAFUMGOUXWKZ-GHMZBOCLSA-N	303.362	1.848	50	20	DDGD	
COCCCOc1ccc(C(=O)NCCCSC#N)cn1	816539147	TYYQMNNAYQMIKC-UHFFFAOYSA-N	309.391	1.831	50	20	DDGD	
CN(NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CC1	819647413	NDEYGEWSLILJRX-UHFFFAOYSA-N	301.306	1.520	50	20	DDGD	
CC(=NNC(=O)CNc1ccc(C)cc1C)c1cnnn1C	814758387	SJBZOQCNJIKCTH-UHFFFAOYSA-N	300.366	1.384	50	20	DDGD	
COc1cnc(C(=O)NNC(=O)c2cccc3ncccc23)nc1	815489890	FZXGMBRWRGXDNI-UHFFFAOYSA-N	323.312	1.108	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(Cl)n1)c1nnnn1C1CC1	814324390	HUMZQHQHAITZAE-ZETCQYMHSA-N	322.760	1.444	50	20	DDGD	
O=C(NNc1cccc2c1CCCC2)[C@@H]1CCc2nncn2C1	815853817	BOVCEPXXFOJYPG-CYBMUJFWSA-N	311.389	1.863	50	20	DDGD	
CN(C)c1cccnc1CNC(=O)NNc1cccc(F)n1	811933483	ALKFSJRESZESOT-UHFFFAOYSA-N	304.329	1.508	50	20	DDGD	
CSCc1cccnc1C(=O)NNc1nc2ccccn2n1	811439913	GKZRSWIWSMQKFD-UHFFFAOYSA-N	314.374	1.744	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc(N=c2cc[nH]cc2)cc1	819140328	HQBVUKLOBYNSTB-UHFFFAOYSA-N	310.357	1.808	50	20	DDGD	
COc1ccc(C)cc1N1C[C@H](C(=O)NN(C)C2CC2)CC1=O	819642833	RIRAHOIEDSQQHM-GFCCVEGCSA-N	317.389	1.482	50	20	DDGD	
COC(=O)Cc1occc1C(=O)NNc1ccc(OC)cc1	810345820	ROAFHDGNTRYCTC-UHFFFAOYSA-N	304.302	1.761	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccnc(Oc2ccccc2)c1	823965444	MOEGXBHESUUXHJ-GFCCVEGCSA-N	301.346	1.831	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)C1(N(C)C)CC1	820122451	VWXNWXRINUVFBO-UHFFFAOYSA-N	311.769	1.204	50	20	DDGD	
CSSCCNC(=O)c1cc2c(nc1O)CCC[C@H]2O	822783390	FKVQVHCDEZGTNC-LLVKDONJSA-N	314.432	1.898	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC1CCN(C(=O)c2ccco2)CC1	490783222	OCNQZWCXLDSTHR-QXMHVHEDSA-N	317.345	1.444	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)Cc2ccc(F)cc2)nc(N)n1	828367876	YDOWROJJOCUTTM-VIFPVBQESA-N	303.341	1.828	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Nc1nnc(C)s1	726874301	YUEVTVYMMZQPIB-UHFFFAOYSA-N	321.362	1.251	50	20	DDGD	
CN(C)CC(=O)NN=C/C=C1/N(C)c2ccccc2C1(C)C	727649193	ARSSLFTUVNXTIQ-PUZYPLHJSA-N	300.406	1.962	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@]1(c2ccccc2)CCCO1	823475639	QRVCSJHHLSVNHM-RVSPLBMKSA-N	318.373	1.265	50	20	DDGD	
CCn1cc(/C=C(\C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)cn1	825800020	ZPOJKHZWYJJSRI-MKMNVTDBSA-N	319.328	1.873	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(N2CCOCC2)cc1C	494466701	CENMGCJIMRNESJ-UHFFFAOYSA-N	322.365	1.614	50	20	DDGD	
CNC(=O)NCCC(=O)NNc1nc2c(C)cccc2s1	828358726	PHYTYVOAKIHKBY-UHFFFAOYSA-N	307.379	1.367	50	20	DDGD	
COc1ccc2c(c1)N(CC(=O)NNC(=O)C(C)C)C[C@H](C)O2	827899102	AIXMGDQIXGSMLI-NSHDSACASA-N	321.377	1.086	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cccc(SCC)c1	495406701	FLVOCBCTQDEKNY-UHFFFAOYSA-N	311.363	1.514	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)NNC(=O)c1cc2c(s1)CCC2	905119146	WKPLLWBSGBWMBF-SNVBAGLBSA-N	321.402	1.009	50	20	DDGD	
CC(C)(C)OC(=O)CCCNC(=O)NNC(=O)OC(C)(C)C	496398854	QATCZRARYFZNDW-UHFFFAOYSA-N	317.386	1.847	50	20	DDGD	
Cc1ccccc1C(=O)NN[C@H](C(=O)O)c1ccc(C#N)cc1	738757081	VGPHTWJUMXYCBJ-HNNXBMFYSA-N	309.325	1.927	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1CCC[C@@H]1C(C)(C)C	826973984	HHAZFEPJOVWLJF-CYDGBPFRSA-N	311.426	1.957	50	20	DDGD	
C[S@](=O)CCNC(=O)NNC(=O)c1ccc2ccccc2c1	735091158	LLRUPQCRQKRRLZ-QFIPXVFZSA-N	319.386	1.162	50	20	DDGD	
CCOC(=O)N1CCC[C@H](C(=O)NNC(=O)CC(C)(C)C)C1	491065571	PPSZEFUUQRQRRP-NSHDSACASA-N	313.398	1.439	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H]1CCCS(=O)(=O)C1	490874530	GPEDELYJTQLELG-CEFACKQISA-N	322.361	1.426	50	20	DDGD	
COC(=O)c1cc(/C=C(\C#N)S(=O)(=O)N(C)C)cs1	901500109	BFDSETNXLOOGKA-RUDMXATFSA-N	300.361	1.291	50	20	DDGD	
O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@H](B(O)O)C3)o2)c1	585077763	YBFRPEHSOZOWGE-LBPRGKRZSA-N	316.122	1.904	50	20	DDGD	
CN(CCCC(=O)NNC(=O)NC1CCCCC1)C(=O)O	737426355	CUOQQEMQBHLRLB-UHFFFAOYSA-N	300.359	1.040	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	837382032	SJOJGDLVCWUJKC-MJBXVCDLSA-N	300.358	1.382	50	20	DDGD	
CC[C@@H](OC1CCCC1)C(=O)NNC(=O)NCCCOC	733140204	VMEQECLFVCIHTF-GFCCVEGCSA-N	301.387	1.091	50	20	DDGD	
C[C@@H](CC(=O)NNc1cccc([N+](=O)[O-])c1)c1cnn(C)c1	839710153	PYDPXEFPZDSQEC-JTQLQIEISA-N	303.322	1.965	50	20	DDGD	
COC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1	495406663	FJEUDBLITLPLKO-UHFFFAOYSA-N	301.343	1.021	50	20	DDGD	
O=C(CNC1(c2ccc(F)cc2)CCC1)NNC(=O)C1CC1	733194615	DADZHRYGJHLYMZ-UHFFFAOYSA-N	305.353	1.352	50	20	DDGD	
O=C(COCc1ccccc1)NNc1ccc(C(=O)O)cn1	833764728	SKGATPHDFGGLQO-UHFFFAOYSA-N	301.302	1.440	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=Cc1cn(CC)nn1	901132603	DAKNTEZAXNCFPL-UHFFFAOYSA-N	317.349	1.226	50	20	DDGD	
CCS(=O)(=O)CC(C)=NNC(=O)COCc1ccccc1	737434960	XDFNNDUNYLZGEC-UHFFFAOYSA-N	312.391	1.130	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@@H]2CCCOC2)cc1F	837059572	WZFCCTFXBQZJKD-JTQLQIEISA-N	310.325	1.872	50	20	DDGD	
CC[C@H](NNC(=O)C1CCOCC1)C(=O)Nc1ccc(C)cc1	905816388	QBFHPCHDDSRYJN-HNNXBMFYSA-N	319.405	1.760	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cnc(O)c2ccccc12	833243935	YMEZWPVASQNPCK-CYBMUJFWSA-N	315.329	1.271	50	20	DDGD	
CC(C)n1cc([C@@H](C)NC(=O)NNC(=O)[C@H]2CCCCO2)cn1	836299272	OMWYLDYYPOBDQC-DGCLKSJQSA-N	323.397	1.425	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1	730576710	UXJYULMQMAUTNF-ZDUSSCGKSA-N	324.402	1.360	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCO[C@@H](c3ccccc3)C2)cc1	585036277	HAKZUDXAKPXXHR-ZWKOTPCHSA-N	311.190	1.376	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccc1	836247986	JFALBSCWWSHYCT-KBPBESRZSA-N	321.377	1.274	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@@H](C)C2CCC2)cc1	839483333	ZGCNFSICKBQFOR-NSHDSACASA-N	305.378	1.691	50	20	DDGD	
Cc1ccc(C)c(C2=NO[C@H](C(=O)NNC(=O)C(C)(C)C)C2)c1	900221014	IASPZQKRGOUTQB-AWEZNQCLSA-N	317.389	1.990	50	20	DDGD	
CN1C(=O)CC[C@@H]1CC(=O)NNc1ccc(F)c(F)c1F	830782025	OAVULBNNBLVFTM-SSDOTTSWSA-N	301.268	1.558	50	20	DDGD	
Cc1cccc([C@@H]2C[C@H]2[C@@H](C)NC(=O)c2ccc(B(O)O)cc2)c1	584934047	OCULVRORUJWARE-BVGQSLNGSA-N	323.201	1.597	50	20	DDGD	
Cc1ccc(C2(C(=O)NNC(=O)C(C)C)CCOCC2)cc1	732054296	SGHNKBGAXOGXSO-UHFFFAOYSA-N	304.390	1.847	50	20	DDGD	
COCC(=O)NN[C@H](C(=O)O)c1ccc(Cl)cc1Cl	831540875	HHZLIKNPGWLNLB-JTQLQIEISA-N	307.133	1.386	50	20	DDGD	
C[C@H]1NC(=O)N(CCOC(=O)/C(C#N)=C/c2ccccc2)C1=O	837680010	WOUWQHNRKCCXPC-VSXLWIIGSA-N	313.313	1.077	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)ncn1	734254404	IAUPSBWGMARKTM-LBPRGKRZSA-N	317.393	1.409	50	20	DDGD	
C[C@H]1C[C@H](C)CN(S(=O)(=O)NNC(=O)C2CCCC2)C1	739670013	CFYAUICSJFXRTH-QWRGUYRKSA-N	303.428	1.020	50	20	DDGD	
CC(C)CC(=O)NN=Cc1cnc2ccc(-c3nn[nH]n3)cn12	735757819	DWLXPUWXRQENPY-UHFFFAOYSA-N	312.337	1.011	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)c1ccc2nc(O)oc2c1	919805933	CONWUJHZEQVPAB-UHFFFAOYSA-N	315.260	1.747	50	20	DDGD	
Cn1c2c(ccc1=O)C(=NNC(=O)[C@@H]1CCCCO1)CCC2	834984816	FXSHYNLGGGSLNI-AWEZNQCLSA-N	303.362	1.111	50	20	DDGD	
O=C(O)COc1ccc(C=NNC(=O)NCC(F)(F)F)cc1	917553616	MRRODODGEHWYLV-UHFFFAOYSA-N	319.239	1.345	50	20	DDGD	
CN(C)CC(=O)NNC(=O)[C@H]1CC(C)(C)Oc2ccccc21	839642347	ZRXSMPINIQKQJS-LBPRGKRZSA-N	305.378	1.040	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2C[C@@H](C)CC2(C)C)cc1	746678206	NTEMXWKMTKAQJJ-ZDUSSCGKSA-N	303.406	1.876	50	20	DDGD	
CCC[C@@H](NC(=O)NNC(=O)c1ncccn1)C1CCCC1	841591177	XBXYUBIUANVIEH-GFCCVEGCSA-N	305.382	1.780	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)C1=C(c2ccccc2)SCCO1	910140016	FPCIHDJRGKZRIH-NSHDSACASA-N	308.403	1.462	50	20	DDGD	
CC[C@@H](C)n1ncc2c(C(=O)NN(C)C[C@H](C)O)cc(C)nc21	910165901	PZEBWJNBBJEITQ-NEPJUHHUSA-N	319.409	1.668	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccccn2)c1	744475586	OZNVFNMEBZSFFK-UHFFFAOYSA-N	313.313	1.008	50	20	DDGD	
COc1cc(C(C)=NNC(=O)[C@H]2CCO[C@H]2C)c(OC)cc1O	842555194	QNBPWCANJVAJLZ-QWRGUYRKSA-N	322.361	1.675	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc(C(C)(C)C)s1	843648939	SHNIEIKKOBPBMT-BDAKNGLRSA-N	311.407	1.627	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1(Cc2ccc(F)cc2)CC1	843653423	BYAFALIXZSIGQY-RISCZKNCSA-N	320.364	1.721	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(-c2cccs2)on1	843973105	JLARNMSCQZJHPG-BDAKNGLRSA-N	321.358	1.589	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@H](C)n2cncn2)cc1	914603649	WFDDEYRPUOOSOB-NSHDSACASA-N	319.390	1.087	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(-c2ccccc2)[nH]1	843652305	RVCARXDZELITMP-YPMHNXCESA-N	313.357	1.868	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1cc2cnccc2o1	844569655	PUWJSIIRUAEQGF-GFCCVEGCSA-N	316.361	1.246	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCCc2ccc(SC)cc21	842529528	BJLRQISZNRCYRO-UHFFFAOYSA-N	321.402	1.921	50	20	DDGD	
CC[C@H]1CN(C)CCCN1S(=O)(=O)CC(C)(C)CCl	867220393	MAYIBZKWMPOYJX-LBPRGKRZSA-N	310.891	1.997	50	20	DDGD	
Cc1noc(CCC(=O)NNC(=O)c2cc3ccccc3o2)n1	749466944	CEYWJPRTFLZRIT-UHFFFAOYSA-N	314.301	1.518	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1ccc(Br)cc1	916357885	QCHFNKZQIWLNNS-UHFFFAOYSA-N	324.178	1.522	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H]2CCC[C@@H](N)C2)c(F)c1	841981152	SQRSZVKWMMLTJL-GHMZBOCLSA-N	324.356	1.508	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)CCN2C(=O)CCNC2=S)c1	847602309	XEZFGZCCSXNLAV-UHFFFAOYSA-N	320.418	1.243	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccccc1-n1ccnn1	842559069	HVUUZDSGUAYQQU-TZMCWYRMSA-N	313.361	1.533	50	20	DDGD	
CCOC(=O)CCCNC(=O)NNC(=O)CCc1ccccc1	749918518	UEIBMYUPZWPRAH-UHFFFAOYSA-N	321.377	1.293	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	748718336	UZPPASJCMMMGJW-SSDOTTSWSA-N	314.729	1.606	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2C[C@H](C)S[C@@H](C)C2)cc1	744413499	ORTPJAVGXIDKDH-STQMWFEESA-N	321.446	1.582	50	20	DDGD	
O=C(NNc1ccc(Br)cc1F)c1nc[nH]n1	748191767	SMIWFMMDLFJQEO-UHFFFAOYSA-N	300.091	1.463	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2ncc(Br)cn2)CO1	847389286	KHDYBOFPHKLYCL-XPUUQOCRSA-N	316.159	1.043	50	20	DDGD	
CC(=O)c1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)ccc1C	847224967	ZNKACKXNDYGILQ-DGCLKSJQSA-N	319.361	1.775	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H]2CC[C@@H](CN)C2)cc1F	842010367	JUIALATXLRHTDK-NXEZZACHSA-N	324.356	1.366	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)NC(C)(C)C)cc([N+](=O)[O-])c1	920889629	COMBUOHOBFSDHZ-UHFFFAOYSA-N	310.379	1.811	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)/C=C/SCc1ccco1	843654856	SVTHOHMERUTKSH-XSLXFGENSA-N	310.375	1.599	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NN=Cc1cnc2n1CCC2	853269515	WPIKYPMDLVQTCM-UHFFFAOYSA-N	308.345	1.329	50	20	DDGD	
Cc1ccc(C(C)(C)NS(=O)(=O)CBr)cn1	759124489	BDBMFJLKVSGBPK-UHFFFAOYSA-N	307.213	1.897	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)C#CC(C)C	854214323	WHHOBHYFJLFBCT-UHFFFAOYSA-N	312.373	1.406	50	20	DDGD	
CC[C@@H]1COCC1=NNC(=O)c1nnc(-c2ccccc2)o1	853293143	AJWONDVALAAEGY-SNVBAGLBSA-N	300.318	1.879	50	20	DDGD	
Cc1cc(C)c2c(c1)C(=NNC(=O)C[n+]1ccccc1)CCO2	920361630	SXJZMYXUZKKCAY-UHFFFAOYSA-O	310.377	1.894	50	20	DDGD	
O=C(NN=C1CCc2cc(F)ccc21)[C@@H]1CN2CCC[C@@H]2CO1	853387544	DEUNHDDIMIPBOP-CJNGLKHVSA-N	317.364	1.455	50	20	DDGD	
C[C@@]1(CNC(=O)CSc2nncs2)C[C@H]1Br	857397333	FTKGGZVSFAJOEZ-MUWHJKNJSA-N	322.253	1.920	50	20	DDGD	
CCOc1cccc(NC(=O)NNC(=O)c2c[nH]nc2C)c1	756088311	NELVZICCCCINMX-UHFFFAOYSA-N	303.322	1.583	50	20	DDGD	
CC(=O)N(C)CC(=O)NNc1nc2ccc(Cl)cc2s1	856234079	LSVSTIVDZNXCIG-UHFFFAOYSA-N	312.782	1.871	50	20	DDGD	
C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)NNC(=O)C1CCOCC1	923055695	FOAXXSBYKHCLEU-YVEFUNNKSA-N	320.389	1.115	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CCN(C2CC2)C1	853743450	PQKLPINIKMCUGU-SECBINFHSA-N	323.328	1.597	50	20	DDGD	
CCOC(=O)NNC(=O)C(F)(F)c1cnc(Cl)c(C)c1	929188506	HHZUAQSCTQAKQR-UHFFFAOYSA-N	307.684	1.913	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)O)CCC1=NNC(=O)Cc1ccccc1O	853401293	ZMNJSSKLAPHUOB-JQWIXIFHSA-N	304.346	1.928	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)/C=C\c1ccc(O)cc1)C1CC1	855098307	DQCPRZUUVGLJPD-ZUYFITGHSA-N	305.403	1.699	50	20	DDGD	
O=C(NNC(=O)C(F)(F)c1nccs1)NC1CCCCC1	756797914	UMLNQSZAWQHCCA-UHFFFAOYSA-N	318.349	1.898	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)c2cccc(Cl)n2)CCC1=O	857323085	AOBUPDYLBUZJGG-IUCAKERBSA-N	309.753	1.501	50	20	DDGD	
C[C@]1(CNC(=O)CCCCc2cnn[nH]2)C[C@@H]1Br	857396123	YMXWPPCEEUSFMO-CMPLNLGQSA-N	315.215	1.807	50	20	DDGD	
CN(C)Cc1ccsc1C(=O)NNC(=O)CC(F)(F)F	855000580	LACBTAFZWUJQBY-UHFFFAOYSA-N	309.313	1.523	50	20	DDGD	
O=C(NNC(=O)c1cnc2n1CCCCC2)OCC(F)(F)F	857725311	QRHUWMGIRGFOLX-UHFFFAOYSA-N	320.271	1.543	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](C)[C@@H]1OCCc2sccc21	854920684	HBFKKVRHSHYGQD-KCJUWKMLSA-N	313.448	1.465	50	20	DDGD	
COC[C@H](NC(=O)NNc1ccc(Cl)cn1)[C@H]1CCCO1	852288063	KGVJSKDROPMGPK-WDEREUQCSA-N	314.773	1.555	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cncc(N2CCOCC2)c1	757879229	JTPPQUNLIJFOPK-UHFFFAOYSA-N	320.393	1.115	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)Cc1ccsc1C	854284413	JJLNNABYKXROGP-UHFFFAOYSA-N	315.464	1.473	50	20	DDGD	
C[C@@H]1COC[C@H]1NC(=O)NNC(=O)c1cccc2ccccc12	926001814	BIKCWGWTFJCZDO-IAQYHMDHSA-N	313.357	1.819	50	20	DDGD	
CCn1cnc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)c1	854217235	LOUWNXQTVBSPMC-SNVBAGLBSA-N	320.324	1.271	50	20	DDGD	
O=C(NNC(=O)[C@@]12CCC[C@@H]1C2)[C@H]1COc2ccccc2O1	929231558	KNNWINVTKLAVEJ-CKUKBARFSA-N	302.330	1.164	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)NCc1ccco1)c1ccncc1	858782529	SUKIXWZLUGSBHG-NSHDSACASA-N	302.334	1.699	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	857764031	FHROTRIDHYIOGG-UHFFFAOYSA-N	315.717	1.140	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1cc(F)cc(F)c1	755586107	ZDUXIPZSOFWSHP-LLVKDONJSA-N	311.332	1.383	50	20	DDGD	
CSCc1cccnc1C(=O)NNC(=O)OCC(F)(F)F	856019454	VKUYJIUZQMMMJU-UHFFFAOYSA-N	323.296	1.878	50	20	DDGD	
C[C@]1(CNC(=O)c2cnn3cccnc23)C[C@H]1Br	857400147	BBNRHPRVHBXMOT-BXKDBHETSA-N	309.167	1.633	50	20	DDGD	
CCNC(=O)NN=Cc1cn(-c2ccc(F)cc2Cl)nn1	755668203	JSIFWBJJOSTPIU-UHFFFAOYSA-N	310.720	1.713	50	20	DDGD	
CC(Cc1ccc(F)cc1)=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	853389992	HLTMQXODKCJWED-CVEARBPZSA-N	319.380	1.724	50	20	DDGD	
CCOC(=O)NC1CCC(=NNC(=O)Cc2ccncc2)CC1	853314038	MTRXWSLRZGFQES-UHFFFAOYSA-N	318.377	1.785	50	20	DDGD	
CC(C)N(C)c1cccc(NC(=O)C(=O)NNC(=O)C2CC2)c1	763562444	RLLDXHGIHHCMQD-UHFFFAOYSA-N	318.377	1.027	50	20	DDGD	
Cc1cc(C(=O)NN[C@H](C)C(F)(F)F)n2nc(C)cc2n1	862310409	WZRXZHUGDHCOJD-MRVPVSSYSA-N	301.272	1.531	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNc1ncc(F)cn1	760923716	ZXUDPGJHTWRUEK-UHFFFAOYSA-N	314.324	1.671	50	20	DDGD	
Cc1cccc2c1N(C(=O)C(=O)NNC(=O)C1CCCC1)CC2	764065205	VLOBSOIGYPOZED-UHFFFAOYSA-N	315.373	1.222	50	20	DDGD	
C[C@H](NNC(=O)COc1ccc([N+](=O)[O-])cc1)C(F)(F)F	862304224	LFEYQQGJZYOPNR-ZETCQYMHSA-N	307.228	1.545	50	20	DDGD	
C=C(CBr)COC(=O)c1cc(C(=O)OC)nn1C	869823656	CBJYBPPLYYXCSO-UHFFFAOYSA-N	317.139	1.315	50	20	DDGD	
CN=[S@](C)(=O)c1cccc(NCc2ccccc2B(O)O)c1	864013878	GUCKPHFFARQPLY-JOCHJYFZSA-N	318.207	1.065	50	20	DDGD	
COC(=O)Cc1occ(C)c1C(=O)NN[C@@H](C)C(F)(F)F	862319666	JONPJACQYSCADT-ZETCQYMHSA-N	308.256	1.489	50	20	DDGD	
CC(=O)OCCc1cccc(NC(=O)NNc2cnccn2)c1	764711130	WTFUPPXSLPMUPU-UHFFFAOYSA-N	315.333	1.731	50	20	DDGD	
COc1ccc(C(=O)NNc2ccnc(N(C)C)n2)nc1Cl	768713139	XFVCXNPBHFVLDY-UHFFFAOYSA-N	322.756	1.357	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CNC(=O)CC2CCCC2)c1	862477130	HCIADIWBKAKRHB-UHFFFAOYSA-N	323.418	1.514	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O)C(F)(F)F	862307549	MUBRXIULNXMEOB-JKUQZMGJSA-N	321.221	1.015	50	20	DDGD	
CN(CC(=O)NNc1nc2ccccc2[nH]1)C(=O)OC(C)(C)C	768505842	XKUTUOLBOYFQGG-UHFFFAOYSA-N	319.365	1.873	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H](C=NNC(=O)c1cn[nH]c1)CC1CC1	863154231	SEGSVRHMFOCUAL-LBPRGKRZSA-N	321.381	1.819	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C2CCC(F)(F)CC2)n[nH]1	869014354	GZBSPUSQKZBEOI-UHFFFAOYSA-N	300.309	1.234	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=C2CCCOc3cc(F)cc(F)c32)N1	863149783	FPTVBAOWEHKHAV-NSHDSACASA-N	323.299	1.236	50	20	DDGD	
CC(CC(C)(C)c1ccccc1)=NNC(=O)CS(C)(=O)=O	863188090	NCFUZTPCYHKJKX-UHFFFAOYSA-N	310.419	1.891	50	20	DDGD	
O=C(CCO)NN=Cc1c[nH]c2cccc(Br)c12	1116374137	VIJAJWCMRSRBQC-UHFFFAOYSA-N	310.151	1.763	50	20	DDGD	
CCOc1cc(C(=O)NNC(=O)CCc2ccccc2)[nH]n1	1118573331	XBDTUWVGOWVGFR-UHFFFAOYSA-N	302.334	1.202	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NNC(=O)CC1CCCC1	878577029	FXFGAASETNNKJY-BONVTDFDSA-N	304.394	1.803	50	20	DDGD	
CCNC(=O)NN=Cc1cc(Br)cnc1OC	872345730	XXBOITLYGHBDTK-UHFFFAOYSA-N	301.144	1.506	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(C#N)cs1	772181508	DEHILUAJJMDQSZ-VIFPVBQESA-N	323.374	1.359	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(Cl)c(OC)c(OC)c1	879985847	HXVLLXTZLCWUPH-UHFFFAOYSA-N	317.773	1.972	50	20	DDGD	
COC(=O)[C@H]1CC12CCN(S(=O)(=O)CCCCl)CC2	881895006	BUWBQOPGUUYDNK-SNVBAGLBSA-N	309.815	1.220	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)c1nc2ccccc2s1	874913604	FVBQKCUGQMRGNT-SNVBAGLBSA-N	307.375	1.872	50	20	DDGD	
O=C(C[C@@H]1COC(=O)C1)NNC(=O)c1nc2ccccc2s1	874914076	KGOUYYZYPCBJHC-QMMMGPOBSA-N	319.342	1.011	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC[C@@H](C(C)(C)C(=O)OC)C1	772873002	SKPRABZOIWHWMD-XZHRJIJLSA-N	308.378	1.868	50	20	DDGD	
CN(CCCC=NNC(=O)c1cccnn1)C(=O)OC(C)(C)C	1119302038	JKZBVGUDPAJRFH-UHFFFAOYSA-N	321.381	1.839	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)CNc2ccc(C)cc2)o1	773921444	VEIMLUKJGINBPJ-UHFFFAOYSA-N	315.329	1.664	50	20	DDGD	
N#Cc1cccc(NNC(=O)C(=O)Nc2ccc3c(c2)OCO3)c1	773698429	FQNHZQXDUVLFIQ-UHFFFAOYSA-N	324.296	1.369	50	20	DDGD	
O=C(CS(=O)(=O)C1CC1)NNc1cc(Cl)ccc1F	871269390	BPHVBFOCTZQWLN-UHFFFAOYSA-N	306.746	1.499	50	20	DDGD	
CCC1(CC)CCC(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1	875526615	VKZFHOPSRIDFAF-GFCCVEGCSA-N	324.425	1.344	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1cc(N2CCNC2=O)ccc1C	775741931	UPVNVRHRQZAONN-ZRDIBKRKSA-N	314.345	1.907	50	20	DDGD	
C[C@@H]1Cc2cc(NC(=O)C(=O)NNC(=O)C(C)(C)C)ccc2O1	1120938502	PXWZYCATPIYDFO-SECBINFHSA-N	319.361	1.142	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H]2CCC=CO2)c1	777840535	AIJANAPNQQUPRB-CYBMUJFWSA-N	304.346	1.522	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(C)C[C@H]1CCCC[C@H]1O	778246910	SIGTTWKVRZWBPJ-BFHYXJOUSA-N	313.442	1.051	50	20	DDGD	
CS[C@@H](C)CCC(=O)NNC(=O)[C@H]1COc2ccccc2O1	773181520	HVPZZBIXLAPYKF-GXFFZTMASA-N	324.402	1.506	50	20	DDGD	
O=C1N[C@H]2CN(C(=O)C3CCC(Cl)CC3)CC[C@@H]2CO1	1123811695	TYHSPKGVDQEXGK-RSJDFQLWSA-N	300.786	1.741	50	20	DDGD	
COC[C@@H](C)C(C)=NNC(=O)c1nnc(O)c2ccccc12	777878213	FKAOXHCTCPWOEG-SECBINFHSA-N	302.334	1.724	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@H](C[C@H]1CCCO1)C(=O)OCC	887273858	CNJZWARNGKAGJR-QVDRPMGRSA-N	310.350	1.047	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)nc1	781533684	LXJJZPGYNAXCCS-NSHDSACASA-N	306.366	1.038	50	20	DDGD	
CNC(=O)C1(NC(=O)/C(C#N)=C\c2ccc(O)cc2)CCCC1	787288810	CUFYMKHEYZGREX-RAXLEYEMSA-N	313.357	1.474	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cccc(C(F)(F)F)c1O	887150561	OOTGBXZBVSGCCT-UHFFFAOYSA-N	314.263	1.976	50	20	DDGD	
CC(=NNC(=O)c1c(C)nc2ccccn12)c1nccnc1C	783511497	GIZDUVRKIJMSCB-UHFFFAOYSA-N	308.345	1.895	50	20	DDGD	
COc1ccc(CC(=O)N2CC=C(C#N)CC2)cc1[N+](=O)[O-]	780687014	RXDVZWFEIDBZRI-UHFFFAOYSA-N	301.302	1.828	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2ccccc2C1)C1CCOCC1	883071501	CLDZFQMOGREFTK-HNNXBMFYSA-N	302.374	1.366	50	20	DDGD	
O=C(NCCCc1ccccc1)NNC(=O)C1CCOCC1	883043263	CEPMLMHBHMTJCH-UHFFFAOYSA-N	305.378	1.376	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCC(=NNC(=O)c2ccccc2O)C1	788409447	YITBUUUXISENEA-LLVKDONJSA-N	310.375	1.465	50	20	DDGD	
Cc1ccc(C(F)(F)C(=O)NNC(=O)c2ccccn2)cc1	780320187	WPASAYICKHECGE-UHFFFAOYSA-N	305.284	1.943	50	20	DDGD	
CCN(CCC#N)C(=O)COC(=O)/C(C#N)=C\c1ccccc1	785377760	VRUIEGYVQBEUGJ-PTNGSMBKSA-N	311.341	1.899	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2cc(C(C)C)on2)c1	783931694	WRBLPTBGXZMZKO-UHFFFAOYSA-N	303.322	1.583	50	20	DDGD	
O=C(N=c1cc[nH]cc1[N+](=O)[O-])NNc1cccc([N+](=O)[O-])c1	781453656	SXIQXOZGQFKNTO-UHFFFAOYSA-N	318.249	1.469	50	20	DDGD	
C/C=C(/CC)C(=O)NNC(=O)c1nnc(O)c2ccccc12	789735615	QHINZRJVNHZFKF-OQFOIZHKSA-N	300.318	1.453	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCn2nc(C)cc2C)c1	780790288	VGLYQEKNRWOVOM-UHFFFAOYSA-N	316.361	1.820	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1)[C@@H](C)O	790070475	UAAWAERECZZFSG-PWSUYJOCSA-N	316.361	1.245	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)CNc1ccc(C)cc1	794906458	KMVCAYFZJZDBEG-WFASDCNBSA-N	307.394	1.615	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1cn(-c2ccccc2)nn1	794957023	NXZQNAFRCWEKFB-JYRVWZFOSA-N	303.347	1.023	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H](C(=O)NNC(=O)NCC(F)(F)F)C1(C)C	798314846	CYQFWMIJZGRRBC-HTQZYQBOSA-N	323.315	1.521	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2cn3c(n2)CCCC3)o1	799591722	XIFVFHYYZHAYMC-UHFFFAOYSA-N	314.349	1.959	50	20	DDGD	
C[C@H]1CN(CC(=O)NNC(=O)c2cccs2)C[C@H](C2CC2)O1	791556491	KEQSDLNLOCXTMK-CMPLNLGQSA-N	323.418	1.008	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCCOCC(C)C)n1	792791294	AGCGHBLNLIOYRV-UHFFFAOYSA-N	308.382	1.397	50	20	DDGD	
Cc1ccn2cc(C(=O)NNc3nc4ccccn4n3)nc2c1	791259918	GRASILUYMDNWPH-UHFFFAOYSA-N	307.317	1.442	50	20	DDGD	
CN1CCN(CCCNC(=O)CCl)[C@H](c2ccccc2)C1	1319678794	QNLCKOASNIGQLL-HNNXBMFYSA-N	309.841	1.720	50	20	DDGD	
O=C(CSCc1ccc(Cl)cc1)N1CC[C@H](B(O)O)C1	585074152	JAYNZWCFVARBND-NSHDSACASA-N	313.615	1.649	50	20	DDGD	
C[C@@H]1CN(C[C@H](CBr)C2CC2)C[C@@H](C)S1(=O)=O	701860756	HSRKNJOXSZVCLJ-FOGDFJRCSA-N	324.284	1.915	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2nocc2C)cc1C	1320140595	ZZXHELUYTAQIET-UHFFFAOYSA-N	318.333	1.832	50	20	DDGD	
Cc1conc1NC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	1323844004	HEIRDMNQUTZAMD-SECBINFHSA-N	322.296	1.742	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](C)c1nncn1C	1321818355	HNAYBIQVPWFRPZ-VIFPVBQESA-N	310.789	1.358	50	20	DDGD	
CC(C)c1ocnc1C(=O)NNc1ccc(-n2ccnc2)nn1	1324422640	LLVDXMVNMFBBBA-UHFFFAOYSA-N	313.321	1.531	50	20	DDGD	
C[C@@H]1C[C@@H]1CNC(=O)NNC(=O)c1cncn1-c1ccccc1	1337500080	LDLZKJKUQVIEMP-VXGBXAGGSA-N	313.361	1.472	50	20	DDGD	
CCCN1C[C@H](C(=O)OC[C@]2(C)C[C@H]2Br)CC1=O	1344033763	DSJOASKRHRUJIL-BREBYQMCSA-N	318.211	1.962	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2C)cc1	1342420523	KGGVDPKBUSKTMQ-UHFFFAOYSA-N	300.318	1.287	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CCN2C2CCCC2)nc1	1602384389	GBXKHTLPLKRRDL-LBPRGKRZSA-N	304.350	1.240	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)C2C[C@H]3COC[C@@H](C2)C3=O)c1	1602448132	NFXPFAHKCFDEKV-YOGCLGLASA-N	318.329	1.070	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@H]1CCc2nc[nH]c2C1	1602230638	NQUXIKRGWRHQCW-QMMMGPOBSA-N	318.308	1.495	50	20	DDGD	
Cc1cc(OCC(=O)NNc2cccc(C(=O)O)c2C)no1	1600288630	ZMHAMGFQAGJJFA-UHFFFAOYSA-N	305.290	1.512	50	20	DDGD	
Cc1ccc(NNC(=O)CCOC[C@@H]2CCCO2)cc1C(=O)O	1607810346	ZMDXAQHDIZNSPZ-ZDUSSCGKSA-N	322.361	1.722	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(-c2nn[nH]n2)cn1)C1CCC1	1603044780	XULMODQVNWQJLI-UHFFFAOYSA-N	301.354	1.531	50	20	DDGD	
Cn1nccc1CC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1601035715	ODDLBDCSCQGCHV-UHFFFAOYSA-N	305.246	1.175	50	20	DDGD	
Cc1nnc(NC(=O)NNc2ccc(F)c(C(=O)O)c2)s1	1600798576	NADOGNZTQNTATJ-UHFFFAOYSA-N	311.298	1.832	50	20	DDGD	
Cn1cc(/C=C/C(=O)NNc2cccc(C(=O)O)c2F)cn1	1600944415	BZZLGDCCKPDXDO-AATRIKPKSA-N	304.281	1.414	50	20	DDGD	
O=C(O)[C@@H]1CN(S(=O)(=O)CCl)C[C@H]1c1ccc(O)cc1	1602189415	OMFHOAUHQZKIRT-WDEREUQCSA-N	319.766	1.018	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NNc1ccc(C(=O)O)cc1F	1609845495	GROZZLGQXLQCHE-NXEZZACHSA-N	309.341	1.840	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)NNc2cccc(C(=O)O)c2F)C1	1609591003	BJIAIRASSSUOOV-HNNXBMFYSA-N	323.324	1.226	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)/C=C/c2cncc(O)c2)cc1	1602127218	JYSOSSUZCKRUIP-ZZXKWVIFSA-N	313.313	1.571	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H](C)OC[C@H]2CCCO2)cc1C(=O)O	1610509925	SXCATSFJYJRJDD-WCQYABFASA-N	322.361	1.720	50	20	DDGD	
Cc1cc(C(=O)O)ccc1NC(=O)NNC(=O)[C@@H]1CCCS1	1610441840	NUSSGTGGCALCPL-NSHDSACASA-N	323.374	1.742	50	20	DDGD	
O=C(NN=Cc1ccoc1C(=O)O)c1ccc2c(c1)OCO2	1610699118	IBYNWSRPEGUEAF-UHFFFAOYSA-N	302.242	1.470	50	20	DDGD	
CCC(Cc1ccccc1)=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549316499	GYXITWGSMHAVHX-IRXDYDNUSA-N	315.417	1.975	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)C1CCOCC1	1549316631	HMJSZDTXNQIWBW-UKRRQHHQSA-N	309.410	1.158	50	20	DDGD	
C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NN(C)C1CC1	1589894864	OWSYYFRRFHHTAT-SNVBAGLBSA-N	300.366	1.171	50	20	DDGD	
CC[C@@H](CC(F)F)C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1590426007	SZPOYLHMIKRNOY-ZETCQYMHSA-N	311.296	1.386	50	20	DDGD	
Nc1cnnc(NNC(=O)C2(C(=O)O)CCCCC2)c1Cl	1594666773	WHBZALAORBMMIK-UHFFFAOYSA-N	313.745	1.190	50	20	DDGD	
CCC(N)(CC)CNC(=O)NNc1cccc(C(=O)O)c1F	1595222724	LLLUYRHGJUVYNU-UHFFFAOYSA-N	312.345	1.668	50	20	DDGD	
C[C@H](CN(C(=O)/C(C#N)=C\c1cnn(C)c1)C1CC1)C(=O)O	1592552363	WTZYQRKZWYCVLU-CGYDICSFSA-N	302.334	1.039	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](C)CC(=O)O)c(OC)c1	1598983992	FBFXYXUQAPWLTP-MRVPVSSYSA-N	310.306	1.036	50	20	DDGD	
Cc1ccc(OCC(=O)NNc2ncccc2C(=O)O)c(C)c1	1594375871	VQMZIGKVMRDUNE-UHFFFAOYSA-N	315.329	1.919	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CC[C@H]2C(=O)O)c([N+](=O)[O-])c1	1594105977	SDKCLGDLIIXJOZ-RKDXNWHRSA-N	309.278	1.157	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(C(C)(C)C(=O)O)cc1	1599231627	FBXQCPGVZBIOKE-UHFFFAOYSA-N	309.366	1.664	50	20	DDGD	
CO[C@H]1CCC[C@@H](CC(=O)NNc2ccc(C(=O)O)cn2)C1	1599111183	BLLPBMNVLJTFGI-PWSUYJOCSA-N	307.350	1.818	50	20	DDGD	
CNS(=O)(=O)c1ccc(C(=O)NN(C)c2ccccc2)cc1	15133963	ARJOFWPGCPZPHR-UHFFFAOYSA-N	319.386	1.376	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Cc2cccc(F)c2)cc1	17111125	HROAVXALDUICFC-UHFFFAOYSA-N	316.332	1.903	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNC(=O)[C@@H]2CCCO2)cc1	150963486	NIINNJVOAQNFML-ZDUSSCGKSA-N	306.362	1.299	50	20	DDGD	
CN(C)C(=O)NNS(=O)(=O)c1ccc(C(C)(C)C)s1	161307557	SHCQIZNHGZCTCT-UHFFFAOYSA-N	305.425	1.510	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1cnc2sccn2c1=O	160900699	NMSOXKZQFNBQMN-UHFFFAOYSA-N	318.333	1.960	50	20	DDGD	
CS[C@H](C)CNC(=O)NNC(=O)c1ccc2ccccc2n1	163771493	NKDHYBPHYGIMCM-SNVBAGLBSA-N	318.402	1.930	50	20	DDGD	
CC[C@H](OC1CCCCC1)C(=O)NNC(=O)Cc1cccnc1	153476058	YJATWYCUQNYWLA-HNNXBMFYSA-N	319.405	1.899	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1cccc(C(F)(F)F)c1	155418781	HLQIPXLQHSDIHX-UHFFFAOYSA-N	304.272	1.420	50	20	DDGD	
COc1ccc(NNC(=O)NCc2ccc([N+](=O)[O-])cc2)nc1	156845743	PYKRSFDXEYTYNT-UHFFFAOYSA-N	317.305	1.825	50	20	DDGD	
C[C@H]1CCN(S(=O)(=O)c2ccc(CCCl)cc2)[C@H]1CO	299946523	AWYKIVAOEDNBAQ-FZMZJTMJSA-N	317.838	1.859	50	20	DDGD	
CCOC[C@H]1CCCCN1S(=O)(=O)CBr	313237086	UBPGAFWNMYTFOR-SECBINFHSA-N	300.218	1.560	50	20	DDGD	
CC(=O)NNC(=O)c1cc(I)ccc1F	762132848	RIQCXRXYDHIDOQ-UHFFFAOYSA-N	322.077	1.211	50	20	DDGD	
CCn1nccc1C(=O)N(C)NC(=O)OCc1ccccc1	862289915	IFHVBZYFVCLBLG-UHFFFAOYSA-N	302.334	1.816	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2cc(O)ccc2Br)n[nH]1	2327427	ZOTFLNFVCNELBM-UHFFFAOYSA-N	323.150	1.950	50	20	DDGD	
Cc1ccccc1OCC(=O)NNC(=O)c1ccccc1F	3517900	HHOJTPFGVGZEMO-UHFFFAOYSA-N	302.305	1.974	50	20	DDGD	
Cc1ccccc1C(=O)NNS(=O)(=O)c1cccc(F)c1	7404156	MCMZAOIUFNXEPI-UHFFFAOYSA-N	308.334	1.757	50	20	DDGD	
C=C(C)CNC(=S)NNC(=O)COc1ccc(OC)cc1	7556160	ZWGUTIMNHZEHAR-UHFFFAOYSA-N	309.391	1.145	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1nn(-c2ccccc2)cc1O	57615265	RVSVZEOFSUCGKX-UHFFFAOYSA-N	314.345	1.529	50	20	DDGD	
Cc1c(C(=O)NNc2ncccn2)cnn1-c1ccc(F)cc1	119393561	KEAXPRADDYLFKV-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
NC(=O)NCCCCC(=O)NNc1ccc(F)c(F)c1F	103276101	UKOBXLVLVIVUAB-UHFFFAOYSA-N	304.272	1.386	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC2CC2)c(OC)c1OC	65197874	CODHJZDOXRIRDD-UHFFFAOYSA-N	323.349	1.066	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)o1	178275467	SYHPDRBMGQRQSL-UHFFFAOYSA-N	322.704	1.794	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cc(C#N)c[nH]2)c(C)c1	175178915	KMZZEUKNWXWYQA-UHFFFAOYSA-N	311.345	1.376	50	20	DDGD	
COc1cc(C)nc(NNC(=O)COc2c(C)cccc2C)n1	174492883	HOBFHOLIPBSCKY-UHFFFAOYSA-N	316.361	1.933	50	20	DDGD	
CC1CCN([C@@H](C)CNC(=O)NNC(=O)c2ccccc2)CC1	65477898	ISZHNWLRSGDESV-AWEZNQCLSA-N	318.421	1.751	50	20	DDGD	
C=CCN1CCC(NC(=O)NNc2ccc(Cl)nn2)CC1	171738768	ZUZPCOAJTNOYKH-UHFFFAOYSA-N	310.789	1.407	50	20	DDGD	
CCc1ncc(C(=O)NNC(=O)COc2ccccc2F)s1	65095031	MLQPMDCADUJPOD-UHFFFAOYSA-N	323.349	1.685	50	20	DDGD	
CCc1c(C(=O)NNc2cnccn2)cnn1-c1ccccn1	114880831	QWACDETZNNJIEZ-UHFFFAOYSA-N	309.333	1.377	50	20	DDGD	
O=C(CC[C@H]1CCCO1)NNC(=O)NCCc1cccs1	68456531	OKIWMQYNEWZCRC-LLVKDONJSA-N	311.407	1.580	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C2[C@@H]3CCC[C@@H]23)c(C)c1	178096707	DMGQXLFKTYPZSA-CHWSQXEVSA-N	301.390	1.909	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)NCC1CC1	65193199	VFSRDHOUGOQJIH-UHFFFAOYSA-N	314.386	1.032	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NC[C@@H]1CC=CCC1	69208850	UHCAWUWHMGQSFX-CYBMUJFWSA-N	317.389	1.924	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H](C)OCC2CC2)c1	64462559	NZYKXWPQFPRSID-ZDUSSCGKSA-N	320.389	1.645	50	20	DDGD	
COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NNc2cnccn2)c1	187958436	YMXILGCLYCACHZ-YPMHNXCESA-N	314.345	1.741	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccccc2Cl)nn1	123777412	HTRKYEIWLZQRGU-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C2[C@H]3CCC[C@@H]23)nc1C	182724145	PARMPZGGCSSXKT-DHHPTOIESA-N	304.350	1.451	50	20	DDGD	
O=C(CCC(F)(F)F)NNC(=O)NCCc1cccs1	79762327	AZIGOKIBGGCXEZ-UHFFFAOYSA-N	309.313	1.964	50	20	DDGD	
Cc1ccc2ncc(C(=O)NNc3cc(C)nc(C)n3)c(=O)n2c1	128865802	KFBYXTKYOYOLRU-UHFFFAOYSA-N	324.344	1.167	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2ccncc2)c2ccc(F)cc2N1	180519836	PZKNMJDWJIEJGW-GFCCVEGCSA-N	300.293	1.790	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)s1	122234078	KLDDLWDBDMIATB-UTUOFQBUSA-N	323.418	1.958	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNc1cccnn1)C1CCCCC1	77665744	FVQVGHQMROYJPA-ZDUSSCGKSA-N	306.414	1.613	50	20	DDGD	
C=CCNC(=S)NNC(=O)COc1cccc(Cl)c1C	77109308	LRNJFFRTHCXNAF-UHFFFAOYSA-N	313.810	1.709	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)c2ccc(CC)cc2)cn1	180523801	BGOJAOWLXGMZLS-UHFFFAOYSA-N	300.362	1.930	50	20	DDGD	
CCOC(=O)NNC(=O)CCCc1nnc(-c2ccccc2)o1	33225233	QJHYALMWPDDIQO-UHFFFAOYSA-N	318.333	1.837	50	20	DDGD	
C[S@](=O)c1ccc(CNC(=O)NNc2ncccn2)cc1	80195040	AKXRGFNSLFSKCC-OAQYLSRUSA-N	305.363	1.040	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)Nc1cnns1	192375942	YRWLHLLHAPMAHJ-UHFFFAOYSA-N	316.346	1.346	50	20	DDGD	
COC(=O)N(C)CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	47967225	XOUSGQFXQQMOAU-UHFFFAOYSA-N	323.393	1.048	50	20	DDGD	
O=C(NNC(=O)c1ccc2[nH]nnc2c1)c1ccc(Cl)nc1	80121814	YBYCQVBKORVKBD-UHFFFAOYSA-N	316.708	1.081	50	20	DDGD	
CNC(=O)c1ccc(/C=C(\C#N)C(=O)N[C@H](C)COC)cc1	192974136	WEJDUWXFIQWQJW-GYBQTFJISA-N	301.346	1.104	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](C)Oc1cccc(C)c1	132068214	IYOYFLKDASDVHS-LLVKDONJSA-N	302.334	1.704	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O	198869025	RBMQVKBVFQMSRE-JTQLQIEISA-N	302.334	1.385	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NCc2ccsc2)n1	46038211	WWQFOBRUMRYQNL-UHFFFAOYSA-N	307.379	1.092	50	20	DDGD	
CC(=O)c1cccc(OCC(=O)NNC(=O)c2ccc[nH]2)c1	96953569	PTDRCOPKXJVYED-UHFFFAOYSA-N	301.302	1.057	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(C)c(F)c(C)c1	94121207	UGZSWUGVYBUMFS-UHFFFAOYSA-N	315.439	1.914	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@@H]1CCC[C@@H]2OCC[C@H]21	246365422	KVUKDYSINCWLEU-AEJSXWLSSA-N	311.773	1.714	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNC(=O)C1CCC1)c1ccc(F)cc1	264701126	AQHOLWAADYAAEZ-AWEZNQCLSA-N	322.384	1.559	50	20	DDGD	
CC[C@@H](C)[C@H](O)CNC(=O)c1c(C)nn(CCCl)c1C	268564015	GOAQOQCLOHAAEG-BXKDBHETSA-N	301.818	1.876	50	20	DDGD	
COC(=O)c1cc(OC(=O)C2CCOCC2)ccc1[N+](=O)[O-]	264744027	GMEMGQWPYYMJPY-UHFFFAOYSA-N	309.274	1.713	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C[C@H]2CCc3ccccc3C2)[nH]n1	268807502	GIAMYINBBVKJHU-LBPRGKRZSA-N	312.373	1.674	50	20	DDGD	
O=C(NNc1nccnc1Cl)[C@H]1CCCN1c1ccccc1	369616417	RWHPEMWCQLGIMW-GFCCVEGCSA-N	317.780	2.242	50	20	DDGD	
CC[C@H]1C[C@H](CC(=O)NNc2ccc(C(=O)OC)cn2)CCO1	272776058	HZTFKMBGPFHMSX-YPMHNXCESA-N	321.377	1.907	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H]1CCO[C@@H](C)C1	271274611	PBRCNSDZVHIWJK-QWRGUYRKSA-N	307.350	1.207	50	20	DDGD	
CC[C@@H](C)Oc1cc(C(=O)NNc2nccnc2OC)ccn1	274049414	GVAZXLOKZLUDKZ-SNVBAGLBSA-N	317.349	1.814	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)[C@H]1CCc2nccn2C1	364373612	KGAORDNTPHRDQT-JTQLQIEISA-N	324.344	1.238	50	20	DDGD	
CC(C)(C)OC(=O)NNS(=O)(=O)c1cccc2cccnc12	274110312	VSWPZGDMVYTIBG-UHFFFAOYSA-N	323.374	1.953	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(CC#N)cc2)n1	270252707	VERKZFXOZHBQHM-UHFFFAOYSA-N	311.345	1.027	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)c3cncnc3)cc2C1	273928994	KGPWAVDDUBYLRU-VIFPVBQESA-N	316.386	1.738	50	20	DDGD	
C[C@H]1CCN(CC(=O)NNC(=O)c2ccccc2)CC1(C)C	273658534	HQLJRNSZEMQKEP-ZDUSSCGKSA-N	303.406	1.816	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C[C@@H]2CCC(=O)[C@H]2C)c1O	279950828	BDODPHQZYXKGHZ-UWVGGRQHSA-N	320.345	1.167	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@@H]1CCCN1c1ccccc1	364818901	ZNUPMEMYDQLIAM-INIZCTEOSA-N	324.384	1.441	50	20	DDGD	
CC(C)NC(=O)c1ccc(C(=O)NNC(=O)OC(C)(C)C)cc1	270935263	LOHCERKCXSBADL-UHFFFAOYSA-N	321.377	1.994	50	20	DDGD	
CN1Cc2ccccc2[C@@H](NC(=O)NNC(=O)c2ccc[nH]2)C1	374380108	JPABUMJLHNNUEJ-AWEZNQCLSA-N	313.361	1.145	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)[C@@H]1CC12CCOCC2	374034029	RIURUTCLUMWEKD-ZDUSSCGKSA-N	318.373	1.289	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1	276709142	JVRYJQVGXVUMHM-ZDUSSCGKSA-N	302.378	1.482	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C[C@@H]1CCC(=O)[C@@H]1C	280591032	SYLGWCWPYSUWCC-MNOVXSKESA-N	304.346	1.462	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H]2CC(C)(C)OC2(C)C)n1	280139211	DQFRTMUKTCNJPV-GFCCVEGCSA-N	320.393	1.680	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CCC2CCC2)cc1	283007999	XTMYGQPBBWUOGH-UHFFFAOYSA-N	303.362	1.661	50	20	DDGD	
CSSCCNC(=O)CN1C(=O)COc2ccccc21	283980929	HKIGMWHMCDVVRP-UHFFFAOYSA-N	312.416	1.539	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCC2(O)CCC2)cc(C#N)n1C	285703410	QMAIFCWZAMFEHL-RIYZIHGNSA-N	312.373	1.533	50	20	DDGD	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1nc(-c2ccccc2)no1	285787235	FEPDBDYGLWXSEW-WDEREUQCSA-N	316.317	1.379	50	20	DDGD	
CSc1ccsc1C(=O)NNC(=O)[C@H]1CCCCO1	295639462	TYKALUZURSCICN-MRVPVSSYSA-N	300.405	1.800	50	20	DDGD	
CCOc1ccc(CNC(=O)NNC(=O)C(C)(C)C)cc1OC	298653711	KASZMPHNELXCIU-UHFFFAOYSA-N	323.393	1.970	50	20	DDGD	
C#CCO[C@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1OC	294505306	SETVQSSTPKVINA-SECBINFHSA-N	310.737	1.148	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CSC2CC2)cc1	294867906	OZLXWUCFIONVKX-UHFFFAOYSA-N	308.403	1.671	50	20	DDGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1cc([N+](=O)[O-])n[nH]1	807037650	ZBDMCBRTHYGXHU-UHFFFAOYSA-N	322.228	1.550	50	20	DDGD	
C[C@H](C(=O)NN=c1cc[nH]cc1)n1ccc2ccccc2c1=O	807211319	NVAFGNYGJVCOAO-GFCCVEGCSA-N	308.341	1.523	50	20	DDGD	
COc1ccc(CC(=O)NNc2cc(Cl)nc(C)n2)nc1	806932509	DAGYWVZNLFOMEM-UHFFFAOYSA-N	307.741	1.528	50	20	DDGD	
O=C(NCc1nccn1C(F)F)NNc1ncccc1F	805184050	NAKAQBRXIAGABL-UHFFFAOYSA-N	300.244	1.639	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)[C@@H]1CCCSC1	809933839	WTBLQUWXQQPJHC-SNVBAGLBSA-N	312.366	1.495	50	20	DDGD	
N#Cc1ccc(CNC(=O)NNc2ncccn2)cc1Cl	802445797	WWEZDZVKEGQYGS-UHFFFAOYSA-N	302.725	1.828	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccc(O)nc2)cc1	802057743	ZQNUKJFYQJVAIS-UHFFFAOYSA-N	302.290	1.262	50	20	DDGD	
C[C@H](C(=O)NNc1cnccn1)[C@H]1OCCc2sccc21	293481300	LOLHOBZJSPIVJI-TVQRCGJNSA-N	304.375	1.931	50	20	DDGD	
Cc1ccn2c(=O)c(C(=O)NNC(=O)OC(C)(C)C)cnc2c1	299205417	CXHGTZANIJXNTG-UHFFFAOYSA-N	318.333	1.172	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)COc1ccccc1OCC	294393019	OTQUIOSWCXUPME-AWEZNQCLSA-N	324.377	1.427	50	20	DDGD	
COc1ccccc1[C@H](C)CC(=O)NNC(=O)[C@H]1CCCCO1	295571067	NPRLAKHVSVFEPP-IUODEOHRSA-N	320.389	1.905	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@H]1CCCCO1)c1cccc(O)c1	297390432	WJRGNQUBQJTOLG-GXFFZTMASA-N	307.350	1.353	50	20	DDGD	
COC(=O)COCC(=O)NNc1cccc(Br)c1	806392383	NTIYUMZUDLBPJH-UHFFFAOYSA-N	317.139	1.082	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCN1c2ccccc2C[C@H]1C	299338801	FAOKPKACKCEYBN-CYBMUJFWSA-N	318.421	1.814	50	20	DDGD	
CCc1cccc(NC(=O)C(=O)NNc2cccc(F)n2)c1	807390942	APUQLKMASXNOPB-UHFFFAOYSA-N	302.309	1.865	50	20	DDGD	
C=C(CNC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)c1ccccc1	297892755	HMHMOZHTZFAXFH-JSGCOSHPSA-N	303.362	1.598	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)c1ccc[nH]1)Cc1ccccc1	298157897	PPHDPGLJODBHEB-CYBMUJFWSA-N	316.361	1.216	50	20	DDGD	
CCOC(=O)CCNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	299369334	MEFDVXPLGKYVAV-NTUHNPAUSA-N	314.345	1.182	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNc2nccnc2Cl)c1C	293885841	ZIAJBROOQRXQKL-UHFFFAOYSA-N	308.773	1.649	50	20	DDGD	
COC(=O)Nc1ccccc1C(=O)NNc1ncncc1F	817078588	LLPYJHJGAPEFRZ-UHFFFAOYSA-N	305.269	1.551	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2nnc3nc[nH]n23)cc1	819982317	ZNNYGPNBIAHVIB-XFFZJAGNSA-N	323.316	1.397	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C1(c2cccnc2)CCCC1	813444794	VEDGLEBOZIDPMB-UHFFFAOYSA-N	313.361	1.386	50	20	DDGD	
CC(=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1)C1CCC1	819773963	YOBDJNJJZPINKI-UHFFFAOYSA-N	314.349	1.538	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)COc2cc(F)cc(F)c2)n1	810005843	DEIGVMZKJNZAOA-UHFFFAOYSA-N	308.288	1.894	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=C1COc2ccccc21	814864000	LYHFSWVGQXTNRE-UHFFFAOYSA-N	306.325	1.790	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)c2cccn2C)cc1O	816823890	JPZXPHQWSUYASC-UHFFFAOYSA-N	301.302	1.008	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(S(N)(=O)=O)cc1)C1CCC1	814968204	UDRBNCUPROAIAH-UHFFFAOYSA-N	310.379	1.632	50	20	DDGD	
CN1CCO[C@@H](C(=O)NNc2cc(Cl)nc(Cl)c2)C1	819743318	NOLLTPHBCWXAGT-MRVPVSSYSA-N	305.165	1.162	50	20	DDGD	
Cc1ccc([C@@](O)(CC(=O)NNC(=O)C(C)C)C(F)(F)F)o1	818653436	XTTRAYPASFOIFN-LBPRGKRZSA-N	322.283	1.531	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2oc(C(C)C)nc2C#N)c[nH]1	814669025	JBLAXRFZTIUUCP-UHFFFAOYSA-N	317.305	1.541	50	20	DDGD	
CCc1nocc1C=NNC(=O)CNC(=O)c1cccs1	814827383	HUHKFLBIZSITOF-UHFFFAOYSA-N	306.347	1.179	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](CC(F)(F)F)C1	817282283	YGHFPHHZEPLHSL-UWVGGRQHSA-N	309.332	1.597	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccn(Cc2ccccc2)n1	817079907	OSGNJIUPLKSJGO-UHFFFAOYSA-N	312.308	1.617	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@](C)(O)c1ccc(Cl)cc1	815114449	RMGQKBDLTUFNIS-CQSZACIVSA-N	313.785	1.678	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2nccnc2C(C)C)c[nH]1	816504537	RBIYUOPKGOOUNA-UHFFFAOYSA-N	303.322	1.472	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)CC1(F)F	817513120	LTVRMHPLSUDICL-AWEZNQCLSA-N	307.300	1.903	50	20	DDGD	
Cc1cccc2sc(NNC(=O)CN3CCCNC3=O)nc12	828367893	YOAGBEKTDYRMHG-UHFFFAOYSA-N	319.390	1.463	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C	496083178	HBCMBKDIITVEPX-SNVBAGLBSA-N	316.402	1.276	50	20	DDGD	
COCC[C@@H](C)NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	725868080	OOPJANNHQMTPAG-SFCYXTAJSA-N	323.437	1.958	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC[C@H]1c1cccnc1	827298930	KOTPIJOCFOVCAT-UBHSHLNASA-N	318.377	1.384	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C)CCCCc1ccccc1	827431034	XOQKNHGROUZVTR-UHFFFAOYSA-N	305.422	1.745	50	20	DDGD	
O=C(Cc1ccccc1O[C@H]1CCOC1)NNc1ccccn1	827884089	YIAUDLVTMBNTOV-AWEZNQCLSA-N	313.357	1.935	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H]1CCCc2nn[nH]c21	825222470	GDMAXIZQWKPBBK-VIFPVBQESA-N	318.289	1.747	50	20	DDGD	
C[C@@H]1SCC[C@H]1NC(=O)NNC(=O)Cc1ccc(F)cc1	827645174	WCLCSCGSLHXTBT-JOYOIKCWSA-N	311.382	1.593	50	20	DDGD	
C=CCC(F)(F)C(=O)NNC(=O)CNc1cccc(OC)c1	824044822	YJZJJRMOZDLYDG-UHFFFAOYSA-N	313.304	1.466	50	20	DDGD	
C=CCOCC(=O)NNC(=S)Nc1ccc(OCC)cc1	729516822	GOYSXTODRJZQFM-UHFFFAOYSA-N	309.391	1.606	50	20	DDGD	
COc1ccccc1[C@@H](C)CC(=O)NNC(=O)NCC1CC1	728519111	SWACBYAXVRBGOM-NSHDSACASA-N	305.378	1.929	50	20	DDGD	
CC(C)(C)OC(=O)NC[C@H]1CCCC1=NNC(=O)C(C)(C)O	492139342	YHMLZLAZLIDEAS-SNVBAGLBSA-N	313.398	1.554	50	20	DDGD	
Cn1nc(NC(=O)NNC(=O)c2cccc(F)n2)cc1C1CC1	823445802	ISIMKZRKIYISQP-UHFFFAOYSA-N	318.312	1.298	50	20	DDGD	
C[C@]1(C(=O)Nc2ccc(-n3nccn3)nc2)C[C@@H]1Br	820102865	HBRFRXJDMJWDQJ-CABZTGNLSA-N	322.166	1.774	50	20	DDGD	
C[C@@H](CN1CCCCCC1)C(=O)NN=Cc1cc(C(=O)O)co1	901156201	ZJNLVWVOVHHMEO-LBPRGKRZSA-N	321.377	1.940	50	20	DDGD	
CCn1cc(-c2n[nH]cc2C(=O)NNC(=O)OC(C)(C)C)cn1	495531195	UQBMOBYRAHYWLD-UHFFFAOYSA-N	320.353	1.463	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@]1(CO)C[C@H]1c1ccc(F)cc1	491163798	YFWOKEIBTZQMLM-NOPRJXFKSA-N	318.348	1.852	50	20	DDGD	
C[C@H](CNC(=O)OC(C)(C)C)NC(=O)NNc1ccccn1	495337972	SYUGRLGQMFLOQB-SNVBAGLBSA-N	309.370	1.621	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3cnc(C)[nH]3)n[nH]2)cc1	732272149	KDQMGBITYTXQES-UHFFFAOYSA-N	324.344	1.491	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CN(C)C(=O)C1CC1)c1ccccc1	733154325	BVTGVDOVBNWLAZ-CQSZACIVSA-N	317.389	1.196	50	20	DDGD	
CC[C@](C)(CNC(=O)NNC(=O)COc1ccc(C)cc1)OC	838661214	KURUVSNFLRIQMI-MRXNPFEDSA-N	323.393	1.519	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C#CC(C)(C)C)nc1C	837516351	DWDYMRMQNNCDFP-UHFFFAOYSA-N	304.350	1.454	50	20	DDGD	
CN(CC(=O)NNC(=O)C1CC1)[C@H]1CCCc2ccccc21	733193620	ZZULQEOGWVBCJL-HNNXBMFYSA-N	301.390	1.553	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CC(C2CCCCC2)C1	584993836	ACLJSZXIQONQPY-UHFFFAOYSA-N	305.158	1.158	50	20	DDGD	
Cc1cc(C(=O)NN[C@@H](C(=O)O)c2ccc(C#N)cc2)c(C)o1	738333048	ZRCMNPQRBYGRNA-CQSZACIVSA-N	313.313	1.828	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2c(Cl)c(C)nn2C)cs1	905424692	DEJZFVJROFWZLR-UHFFFAOYSA-N	311.798	1.840	50	20	DDGD	
Cc1nonc1CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	736141807	DKQJUDBSAQJKCI-UUILKARUSA-N	310.317	1.120	50	20	DDGD	
COc1ccc([C@@H](C)[C@H](C)NCc2ccc(B(O)O)cc2)cc1	585026488	NSLNDFKPWXUJJF-KBPBESRZSA-N	313.206	1.657	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cccc1N(C)C	831616869	VGOWILUKZALXAH-RYUDHWBXSA-N	320.393	1.639	50	20	DDGD	
CC(C)[C@H](NCc1ccc(B(O)O)cc1)[C@H](O)c1ccccc1	585038954	NAHBEZSMFWQXFT-ZWKOTPCHSA-N	313.206	1.214	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)[C@@H]1Cc2ccccc2S1	833255975	JTWFDAFNVNIIPM-YPMHNXCESA-N	306.387	1.420	50	20	DDGD	
CC(CCc1ccccc1F)=NNC(=O)C(=O)N1CCCC1	734096645	VBYDHPQBIJCZKK-UHFFFAOYSA-N	305.353	1.873	50	20	DDGD	
CC(C)Oc1cccnc1NCc1ccc(B(O)O)cc1F	585036408	GULAWZBADZCGCW-UHFFFAOYSA-N	304.130	1.300	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@H]1c1ccc[nH]1	731847960	AGEZUTDGJBPLSP-JSGCOSHPSA-N	306.410	1.734	50	20	DDGD	
COCCN(C)NC(=O)c1cccn(Cc2ccccc2)c1=O	837623628	QLXXVKNYBPUVGW-UHFFFAOYSA-N	315.373	1.120	50	20	DDGD	
COc1ccccc1CC(=O)NN=C[C@@H](OC)C1CCOCC1	834943819	CSJLKBSEUBXFIP-MRXNPFEDSA-N	320.389	1.781	50	20	DDGD	
CCn1nc(C)c(CNC(=O)NNc2ccc(C)nn2)c1C	730025776	PTBCRWJFTDKZCP-UHFFFAOYSA-N	303.370	1.445	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NNC(=O)COc1cc(C)ccc1C	916092960	RPXAEOMSQVYYDK-OCCSQVGLSA-N	306.362	1.255	50	20	DDGD	
COC(=O)N1CCC(C(=O)NNc2ccc([N+](=O)[O-])cc2)CC1	830756922	HRKMMEVBXNBKRH-UHFFFAOYSA-N	322.321	1.516	50	20	DDGD	
N#Cc1ccc(CNC(=O)NNC(=O)[C@@H]2CCCCO2)c(F)c1	838317971	JAEZMQDBBLEAJE-ZDUSSCGKSA-N	320.324	1.097	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cnc2ccccc2c1	838362751	XCGJCMDFXUHMSI-JTQLQIEISA-N	315.329	1.338	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@@H]2CCCOC2)c1F	837061392	KVZICMVLWADNPN-JTQLQIEISA-N	310.325	1.872	50	20	DDGD	
COc1cccc(F)c1C(=O)NNC(=O)c1ccc(Cl)nc1	746129686	XTGSRYPHDFWPMR-UHFFFAOYSA-N	323.711	1.958	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1ccc(F)cc1F	916363573	VQHAROWPUVIINJ-LLVKDONJSA-N	311.332	1.383	50	20	DDGD	
Cc1cc(O[C@@H](C)C(=O)NN(C)C[C@@H](C)O)ccc1Cl	910171475	YIGXXSWQQHSIFL-MNOVXSKESA-N	300.786	1.760	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1	749170235	BNKKSCNVOHWHTJ-CQSZACIVSA-N	318.421	1.487	50	20	DDGD	
CC[C@@H](SC)C(=O)NNc1ccccc1S(C)(=O)=O	747417431	BRBFUTZEXPJLSD-SNVBAGLBSA-N	302.421	1.675	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CSc2ccccc21	843650882	IFGWGFRNBSSGCK-NHCYSSNCSA-N	306.387	1.448	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(-c2c[nH]c3ccccc23)[nH]n1	911445430	VHEYDMXTQIKBJO-JTQLQIEISA-N	313.361	1.515	50	20	DDGD	
CCCNC(=O)NNC(=O)c1c(C)nc(C(C)(C)C)nc1O	747368678	IIKYQPJBWCOUTP-UHFFFAOYSA-N	309.370	1.142	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)CC(C)(C)C)C(=O)OC(C)(C)C	847427017	PVRREOUNJJAQGT-SNVBAGLBSA-N	315.414	1.731	50	20	DDGD	
CC(C)[C@@H]1CCCC1=NNC(=O)Cc1cc(O)nc(S)n1	747751147	ICGZMUAGRQATNX-JTQLQIEISA-N	308.407	1.942	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC2CCC(C)(O)CC2)n1	749599932	KJGSPIXVYRPKCO-UHFFFAOYSA-N	309.370	1.113	50	20	DDGD	
COCOCCCNC(=O)c1c(C)nn(CCCl)c1C	848170489	QVTBUTYVGHRSFR-UHFFFAOYSA-N	303.790	1.479	50	20	DDGD	
CC(C)O[C@@H]1CCCN(C(=O)NNC(=O)Cc2cccnc2)C1	846711965	PZLPVRDDHVIXHB-CQSZACIVSA-N	320.393	1.254	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@H]2CCc3ncsc3C2)cn1	910846668	WJEVQMVYOHQREU-QNCMIEPLSA-N	313.386	1.457	50	20	DDGD	
O=C(NNc1cccc2c1CCCC2)[C@H]1CCCS1(=O)=O	847600282	JHZRNVQXZFKBBL-CQSZACIVSA-N	308.403	1.586	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(OC)c(OC)c1	748254358	ZYCRNHYCERCZAP-NSHDSACASA-N	310.350	1.205	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cc(Cl)ccc1-n1cncn1	843760060	UGFQHVIGECSUBX-UHFFFAOYSA-N	321.768	1.728	50	20	DDGD	
NC[C@@H](NC(=O)NNC(=O)Cc1ccccc1F)C1CCCC1	841985066	HRTJNXOCDKDFLT-CQSZACIVSA-N	322.384	1.216	50	20	DDGD	
NC[C@@H]1CCN(C(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)C1	846665509	HEEMETYPRUTMKP-MRBYEJRBSA-N	301.228	1.747	50	20	DDGD	
CN(CCN(C)c1ccccc1)CC(=O)NNC(=O)C(C)(C)C	744398578	ULRRFNDUOXIWGI-UHFFFAOYSA-N	320.437	1.248	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1ccc(C)cc1	916362710	NASHVYKGXURILU-AWEZNQCLSA-N	303.406	1.804	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)c2ccc(Cl)cc2O)s1	748837539	AMROKKICEVQGDZ-UHFFFAOYSA-N	311.750	1.885	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1ccc(C)cc1Br	912979267	AEZPRIRTYOLDBP-UHFFFAOYSA-N	321.196	1.477	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCC(C)CC1)c1ccn(C)n1	841614590	MYHOXUXNVBNMBN-ZDUSSCGKSA-N	305.426	1.628	50	20	DDGD	
CCCOc1cccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	843641947	DRBPBSFEDIZOSL-FZMZJTMJSA-N	306.362	1.661	50	20	DDGD	
CC(C)(O)CCSCC(=O)NNC(=O)c1ccc(C#N)cc1	848443545	SYHCJAYJAJLJIA-UHFFFAOYSA-N	321.402	1.213	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCC(=O)C1	844129499	POKPAWPCVDHFFZ-GFCCVEGCSA-N	304.346	1.144	50	20	DDGD	
COCCOc1ncccc1C(=O)NNc1ccc(Cl)nc1	743816668	SVRBRSCVVLMNGZ-UHFFFAOYSA-N	322.752	1.912	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1cn2ccccc2n1)C(F)(F)F	746562516	XEPVJHXETUMGSS-MRVPVSSYSA-N	314.267	1.223	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H]2CCO[C@H]2C)ccc1-n1cncn1	842552104	HHNOMLRMMOKRFC-JSGCOSHPSA-N	313.361	1.451	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CSc1ccccc1O)[C@H](C)O	842240151	OGXQUTHPSFQTOC-VHSXEESVSA-N	312.391	1.039	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)Cn1cnc2ccccc21	749756452	IYBKCSLKNPAEDW-JTQLQIEISA-N	305.407	1.330	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C1CCN([C@H]2CCSC2)CC1	847345581	KLCLLKATMVWFPV-LBPRGKRZSA-N	313.467	1.397	50	20	DDGD	
O=C(C[C@@H]1CCOC1)NNC(=O)c1cc2ccccc2cc1O	740076282	VRIZWUMMIVARIP-NSHDSACASA-N	314.341	1.733	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@H](C)n2ccnc2)c(O)c1	846632429	MERCJHLRBFAFCY-NSHDSACASA-N	302.334	1.309	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)Cc2cccnc2)CCc2ccccc21	843544608	WHFHTIRXRNIYSM-GOSISDBHSA-N	309.369	1.676	50	20	DDGD	
O=C(NC[C@@H]1CCCCN1)NNc1cc(F)c(F)cc1F	841922918	VFYBFJVUXIHNPH-QMMMGPOBSA-N	302.300	1.872	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@H]2COC[C@H]2C)cc1F	926020385	SYGITGQBDCMJHL-PELKAZGASA-N	311.313	1.273	50	20	DDGD	
C[C@H](C[S@](C)=O)NC(=O)NNc1ccc(Cl)cc1F	921925049	OWEUOFXHLVFLMZ-XJZHNMMOSA-N	307.778	1.872	50	20	DDGD	
Cc1c(C=NNC(=O)C(=O)N2CCCC2)c2ccccc2n1C	853298285	QJVBJAJASZMOJK-UHFFFAOYSA-N	312.373	1.559	50	20	DDGD	
CCN1CCN(C(=O)c2c(C)nn(CCCl)c2C)C[C@H]1C	754229135	MFEYOFSRSPCIHW-LLVKDONJSA-N	312.845	1.905	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H](c1cncn1C)N(C)C	857496075	KXKZKGHIYXZQED-ZDUSSCGKSA-N	317.397	1.080	50	20	DDGD	
CC1CCN(CC(=O)NNc2ccc([N+](=O)[O-])cc2F)CC1	855622222	AZUJVZKDDJOLRM-UHFFFAOYSA-N	310.329	1.909	50	20	DDGD	
O=C(NN=C[C@@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)NC1CC1	853282900	VJMANMLCNWBZEA-RKDXNWHRSA-N	305.300	1.736	50	20	DDGD	
CCC(=O)N1CCN(C(=O)NC[C@@]2(C)C[C@H]2Br)C1	856895261	ZKTCZQBJCSKWGG-BXKDBHETSA-N	318.215	1.381	50	20	DDGD	
C=C(CBr)CN(CCN1CCOCC1)CC1CC1	852634301	GEVAOQOTZJBAQG-UHFFFAOYSA-N	317.271	1.982	50	20	DDGD	
CC(C)(C)OC(=O)NCCCCCC(=O)NN=Cc1ncc[nH]1	853413309	SGZAAMHYYKSABA-UHFFFAOYSA-N	323.397	1.945	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H](CCO)C2CC2)C[C@H]1Br	856954481	HSDTXAJAPSEJBB-HOSYDEDBSA-N	305.216	1.620	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)N[C@H](c1ccccc1)C1CCC1	858191426	SDCYTNAUCANXQV-CQSZACIVSA-N	313.361	1.895	50	20	DDGD	
C[C@H](NC(=O)NC[C@@]1(C)C[C@H]1Br)c1ncnn1C	856851531	FWCLSEJPCXFDKN-VAOFZXAKSA-N	316.203	1.349	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc2c(c1)CCC(=O)N2C	756417375	NMABRBNAEZHBAD-UHFFFAOYSA-N	318.377	1.794	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@H](C)[C@@H]1CN(C)CCO1	853877059	QYSZFOBVTWROCK-RISCZKNCSA-N	310.373	1.479	50	20	DDGD	
Cc1cc(F)cc(C)c1C(=O)NNC(=O)N1CCN(C)CC1	854381657	OSNHYEKIXPMWNN-UHFFFAOYSA-N	308.357	1.044	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc2[nH]cc(C=O)c2c1	929429767	QMIOUKYATKBWMI-UHFFFAOYSA-N	318.402	1.888	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc2cc[nH]c2n1)C1CC1	855099646	KQLIURAVQZWXOE-QMMMGPOBSA-N	303.391	1.470	50	20	DDGD	
COC(=O)CCCC(=O)NNc1cccc(C(=O)OC)c1C	857313686	IISQAUDAGFFFSR-UHFFFAOYSA-N	308.334	1.568	50	20	DDGD	
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@]1(C)C[C@@H]1Br	856752935	NLQPOJUTUKLAHB-UTLUCORTSA-N	324.244	1.228	50	20	DDGD	
O=C(NNC(=O)c1ncccn1)NC1CCC(C2CCC2)CC1	852384299	BAVJRHZBMNTWHZ-UHFFFAOYSA-N	317.393	1.780	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NN=Cc2cnc3n2CCC3)c1	853265465	VDHXBMHXWAYJOJ-UHFFFAOYSA-N	312.373	1.975	50	20	DDGD	
O=C(NN=C[C@@H]1CCOc2ccccc21)C(=O)N1CCCC1	752164412	HDJGJSXMBQCZOD-LBPRGKRZSA-N	301.346	1.277	50	20	DDGD	
NC[C@@H]1OCC[C@H]1C(=O)NNc1ccccc1C(F)(F)F	852812721	FFWARIYKQSVURN-KCJUWKMLSA-N	303.284	1.512	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1cc(-c2ccccn2)no1	751067093	SHBMOCAJZDHWEY-UHFFFAOYSA-N	316.708	1.937	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	755050466	ZRBYTGXFJUZIIK-QWRGUYRKSA-N	312.341	1.413	50	20	DDGD	
COc1cc(C(=O)NN=CC[C@H]2CCOC2)cc(OC)c1OC	765549266	UHHPWSSUUMJDFS-NSHDSACASA-N	322.361	1.855	50	20	DDGD	
CCOC(=O)c1ccc(NC(=O)NNC(=O)c2ccc[nH]2)cc1	861742768	JEDDRYLGCDSFAJ-UHFFFAOYSA-N	316.317	1.658	50	20	DDGD	
C[C@H](NNC(=O)c1ccc(OCC(F)F)nc1)C(F)(F)F	862316485	PKUAOLPHBLTFSS-LURJTMIESA-N	313.226	1.911	50	20	DDGD	
CCO[C@H](C(=O)NNc1ccc(OC)cc1[N+](=O)[O-])C1CC1	860217779	LYWUCFWQFHMGLC-ZDUSSCGKSA-N	309.322	1.862	50	20	DDGD	
CC(CCc1n[nH]c2ccccc12)=NNC(=O)[C@@H]1CCC(=O)N1	863147883	OGKFAFQBPBBTMY-AWEZNQCLSA-N	313.361	1.266	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)n1	761483689	KKGNWPWATMSHKY-VIFPVBQESA-N	317.305	1.640	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@H]1CCO[C@@]2(CCSC2)C1	769234099	GACVGIGUODWONK-FZMZJTMJSA-N	313.423	1.172	50	20	DDGD	
CCCn1nccc1C(=O)NNCC(F)(F)C(F)(F)F	863102721	UHNWGKQTYJQOJV-UHFFFAOYSA-N	300.231	1.725	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cc(C)nnc2C)cc1	767164359	ZNNVAOHFWLDGFS-UHFFFAOYSA-N	313.361	1.275	50	20	DDGD	
CCCCn1ncc(NC(=O)NNC(=O)c2cn[nH]c2)c1C	860807087	QGRKOKGVIPERIS-UHFFFAOYSA-N	305.342	1.181	50	20	DDGD	
COc1ccc(NNC(=O)C2(C#N)CC(C)C2)c([N+](=O)[O-])c1	768328373	GPVZDKKDXCZWAF-UHFFFAOYSA-N	304.306	1.986	50	20	DDGD	
CC(C)CCn1nccc1NC(=O)NNC(=O)c1cn[nH]c1	860976872	WUMBYBXUZXRWMT-UHFFFAOYSA-N	305.342	1.119	50	20	DDGD	
CS(=O)(=O)NCC(=NNC(=O)C1CCCC1)c1ccccc1	766693056	YJJMBAWYWABWCV-UHFFFAOYSA-N	323.418	1.246	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccc(CN2CCOC2=O)c1	769959055	ZOZZTOKFSSWLJD-UHFFFAOYSA-N	322.321	1.421	50	20	DDGD	
COCCOCC(=O)NN=C1CCC[C@H](c2cccnc2)C1	872400406	KRRIWQYYDYZCHN-ZDUSSCGKSA-N	305.378	1.874	50	20	DDGD	
Cc1nnc(O)c(CNC(=O)NNc2c(F)cccc2F)c1C	1116096930	AHJYWHGBVLDKBE-UHFFFAOYSA-N	323.303	1.904	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)c2cccn2C)cc1O	771932273	WHDZQNYEVFOIFB-SOFGYWHQSA-N	315.329	1.214	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2ccccc2OC(F)(F)F)CN1	779200887	BYGFRXXTWZKIFV-MRVPVSSYSA-N	317.267	1.555	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)Nc1ccc2ncsc2c1	878227428	UUDMJJFAJYIFNO-UHFFFAOYSA-N	320.374	1.876	50	20	DDGD	
Cc1nccc(NC(=O)NNC(=O)c2cc(Cl)ccc2O)n1	776496517	CMBQQFOMXQSBJQ-UHFFFAOYSA-N	321.724	1.611	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2c[nH]nc2C)c(C(F)(F)F)o1	771325252	CRZOXTKGLSSBLM-UHFFFAOYSA-N	316.239	1.713	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H](c1cccc(F)c1)N(C)C	875002900	KAUHFGZFMJTBBT-GFCCVEGCSA-N	312.345	1.341	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C2[C@H]3CCCC[C@H]23)cn1	874953398	BGVYDBMPWBXELT-QWRGUYRKSA-N	320.418	1.844	50	20	DDGD	
COc1ccc(O)c(S(=O)(=O)NNC(=O)c2ccccc2)c1	775669220	VQHLFHGONPWWBP-UHFFFAOYSA-N	322.342	1.024	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(CC#N)C2CCCC2)c1	777588174	DVHOQXNIIJFUON-UHFFFAOYSA-N	314.389	1.524	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@]12CCOC2)c1nc2ccccc2s1	874914260	QJINTPGFKYVMLH-VFZGTOFNSA-N	317.370	1.484	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(Cc1cccnc1)C1CC1	772238663	POYTTYHKKWRRJG-CYBMUJFWSA-N	318.421	1.628	50	20	DDGD	
CC(C)CN1C[C@H](C(=O)NNc2ccc(F)c(F)c2)CC1=O	885111019	QSOGMDQABOBDOG-SNVBAGLBSA-N	311.332	1.912	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NNc1c(F)cc(F)cc1F	885151493	FPRPCAJDDDXZRA-SECBINFHSA-N	317.311	1.515	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cnc(C(F)(F)F)nc1	779036032	JKGNJHBHWRXVCR-UHFFFAOYSA-N	302.191	1.181	50	20	DDGD	
N#Cc1cc(O)cc(C(=O)NNc2nc(-c3ccncc3)no2)c1	776344631	WCPNFYOTLUNTPD-UHFFFAOYSA-N	322.284	1.466	50	20	DDGD	
C#CCOCCC(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	772968361	RSKCGJBXILNXQF-NSHDSACASA-N	324.764	1.295	50	20	DDGD	
C#CC[C@@H](NC(=O)NNC(=O)C1CCOCC1)c1ccccc1	883538434	UVODOKFROVLVGE-OAHLLOKOSA-N	315.373	1.508	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@H](n2cncn2)C1	777063980	SWMRHXHKIXDUEF-LBPRGKRZSA-N	322.800	1.417	50	20	DDGD	
C[C@@H](OC(=O)/C(C#N)=C/c1ccccc1)C(=O)Nc1ncccn1	785351755	WEAFIIVISQWCJO-HLVNSREUSA-N	322.324	1.954	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2cnnc3ccccc23)on1	781427358	VCLAHZFLAHJDLG-UHFFFAOYSA-N	313.273	1.161	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccc(Cl)cc2)c(O)n1	783337969	OVXYUMZBEVKGHN-UHFFFAOYSA-N	320.736	1.831	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CC1CCC2(CC1)OCCO2	887148114	OLELTUGJWMSLRF-UHFFFAOYSA-N	308.378	1.261	50	20	DDGD	
COc1cccc(C(=O)NNc2ccccc2S(N)(=O)=O)c1	788228769	PFOIROWXOMVHLN-UHFFFAOYSA-N	321.358	1.100	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccc(C#N)cn1)N1CCCC[C@H]1C	887704961	BAFJBBSSMSLLNV-OLZOCXBDSA-N	316.409	1.842	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc3c([nH]2)CCCC3)cc1O	882051582	SXDFWRRGJZSQGU-UHFFFAOYSA-N	313.357	1.982	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	887148310	WWPXXGZMUNKMEY-IQIPOGNMSA-N	318.295	1.293	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc2nc(C)c(C)nc2c1	780706795	UATNKRVNSVFPKQ-UHFFFAOYSA-N	301.350	1.553	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@H]2CO[C@@H](C)C2)cc1	784144862	KXUNYNYQZDBPIP-NWDGAFQWSA-N	308.403	1.660	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H]1CCC[C@@H](C(N)=O)C1	786866173	SOCJWAMFZWGBBG-ZJUUUORDSA-N	322.317	1.801	50	20	DDGD	
COc1ccc(NNC(=O)[C@@]2(C)CCCOC2)c([N+](=O)[O-])c1	781351174	ODNCLPBUWNGKFH-AWEZNQCLSA-N	309.322	1.863	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NN=Cc1cnc(N)nc1	781583834	JOVLHNCSZJOQJS-VIFPVBQESA-N	303.297	1.116	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@H]2CC(=O)c3ccccc32)n1	789850038	NPEIJJIWLJSSHU-VIFPVBQESA-N	317.736	1.526	50	20	DDGD	
Cc1ncc(NC(=O)C(=O)NNc2ncccc2Cl)s1	784819056	JEACDDHNPRRNJX-UHFFFAOYSA-N	311.754	1.582	50	20	DDGD	
O=C(NN=CCC1CCOCC1)c1ccc2c(c1)OCCO2	788709127	GTFBLTBFPJHZIQ-UHFFFAOYSA-N	304.346	1.990	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(C(F)(F)F)nn2)no1	897198592	GPKOHSUCHXMYNX-UHFFFAOYSA-N	301.228	1.803	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=Cc1ccsc1Cl	790166440	FZRVIUKVDIWYRG-UHFFFAOYSA-N	322.777	1.677	50	20	DDGD	
Cc1[nH]nc2ncc(C(=O)NNC(=S)NC(C)(C)C)cc12	899992461	YEDKJTVQRBSUAU-UHFFFAOYSA-N	306.395	1.174	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2nnc3ccccc3n2)cc1	798152482	QJELXQGHNINBAI-UHFFFAOYSA-N	321.340	1.662	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1CC[C@H](CC(=O)OC)[C@H]1C	794486173	OUDFUQLXFALOPN-CHWSQXEVSA-N	311.426	1.800	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cc(=O)c(OC)co1	798944594	LJMZWDVRKZFWQB-UHFFFAOYSA-N	321.241	1.784	50	20	DDGD	
COC(=O)C[C@H]1CCC(=NNC(=O)NCC(F)(F)F)[C@@H]1C	794494056	IARJIRKGSHPETK-HTQZYQBOSA-N	309.288	1.813	50	20	DDGD	
O=C(NN=C/C=C/c1ccc(F)c(F)c1)C(=O)N1CCCC1	794899497	NHBMVMYOEFEJJG-CQEQZCBESA-N	307.300	1.702	50	20	DDGD	
Cc1cnn(C)c1C=NNC(=O)[C@H]1COc2ccccc2O1	794859934	GFTFEPASILOLSN-CQSZACIVSA-N	300.318	1.019	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cccnc1F	791197564	RLVJOKRUWNOEDW-SECBINFHSA-N	321.283	1.588	50	20	DDGD	
Cc1cc(NNC(=O)Cc2ccc([S@@](C)=O)cc2)nc(C)n1	798110921	TUUDKWULTKMEPP-JOCHJYFZSA-N	318.402	1.517	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C1(C#N)CCCCC1	790063357	IGDDYILMPRRCNL-UHFFFAOYSA-N	311.382	1.397	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ncnc2[nH]cnc12)c1cccnc1	798110554	ICLMPSFHZOLGCR-NSHDSACASA-N	311.349	1.631	50	20	DDGD	
Cn1c(Cl)cnc1C=NNC(=O)Nc1ccc(C(=O)O)cc1	799481269	PBXHICGHHROOJJ-UHFFFAOYSA-N	321.724	1.927	50	20	DDGD	
CN1CCN(c2ccc(C=NNC(=O)N(C)C)cc2F)CC1	1318037450	QBFOZSBJFZIDDE-UHFFFAOYSA-N	307.373	1.183	50	20	DDGD	
Cn1cc(C(=O)NNc2nncc(N)c2Cl)c(C(C)(C)C)n1	1319705969	PHZAERQOUQEWIK-UHFFFAOYSA-N	323.788	1.500	50	20	DDGD	
CSCCCCC(=O)NNC(=O)c1n[nH]c2c1CCCC2	1318769446	SRBSTUKOQILGBR-UHFFFAOYSA-N	310.423	1.583	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)cc1	1325499102	SOMNHHAURVWANH-KWCYVHTRSA-N	303.362	1.828	50	20	DDGD	
CCOC[C@H](NC(=O)NNC(=O)c1ccc(OC)cc1)C(C)C	1320992435	KMLNPVVXAMSCDU-AWEZNQCLSA-N	323.393	1.700	50	20	DDGD	
O=C(NNc1nc2ccccc2s1)C(=O)Nc1cncnc1	1320536173	REGIAXXCESETPD-UHFFFAOYSA-N	314.330	1.168	50	20	DDGD	
CCOC(=O)COc1ccc(/C=C(\C#N)S(=O)(=O)CC)cc1	1320624643	LAFLAPHBUWDJLZ-NTEUORMPSA-N	323.370	1.928	50	20	DDGD	
Cc1cc(NNC(=O)c2cn(C)cc2C(F)(F)F)nc(N)n1	1329881977	PCMYSHPNIQEOTL-UHFFFAOYSA-N	314.271	1.481	50	20	DDGD	
C[C@@H](OC1CCCCC1)C(=O)NNC(=O)NCC(F)(F)F	1321623987	DDMJHGTYPCCLIZ-MRVPVSSYSA-N	311.304	1.617	50	20	DDGD	
Cc1ccc(Br)c(C(=O)N2CC[C@@H](B(O)O)C2)c1	585063926	KUAVZJWLVVTPIV-SECBINFHSA-N	311.972	1.446	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@H](CC(C)C)c1ccccc1C	1323455968	RQMCZOQTLHTYAY-CYBMUJFWSA-N	321.377	1.586	50	20	DDGD	
CCn1nc(C(C)C)cc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	1326648672	SYLUQJDJZQCMDC-WDEREUQCSA-N	308.382	1.212	50	20	DDGD	
C[S@](=O)c1ccc(C=NNC(=O)c2ccc(O)c(O)c2)cc1	1326872885	DQEUZKQIFWXJKY-QFIPXVFZSA-N	318.354	1.599	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)NCC2CCC2)C[C@H]1Br	1328935353	PSSXFAOGQXZGRN-BXKDBHETSA-N	303.200	1.192	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc(C(C)C)nn2C)cc1	1323427580	QTPPRRRRLOVVPR-UHFFFAOYSA-N	316.361	1.627	50	20	DDGD	
O=C(NNC(=O)c1ccc(C2OCCO2)cc1)NC1CCCC1	1327815906	MRTHIFXMRWGZBK-UHFFFAOYSA-N	319.361	1.619	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cnoc1C1CC1	1253357427	HXGXGXHJGDQFLP-UHFFFAOYSA-N	301.302	1.635	50	20	DDGD	
O=C(CCn1cnnn1)OC[C@@H](CBr)C1CC1	1332815423	IBALPOUPMBEGSH-SECBINFHSA-N	303.160	1.028	50	20	DDGD	
CC[C@H]1C[C@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CCO1	1254358897	MHTBYQXHFUINPK-MNOVXSKESA-N	320.393	1.255	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC1(C(F)(F)F)CC1	1334577501	IKGHAICBQNXIMM-UHFFFAOYSA-N	317.267	1.734	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)Cn1cc(C2CC2)nn1	1258273529	CDVPJKICMVRRLM-UHFFFAOYSA-N	316.321	1.515	50	20	DDGD	
Cc1c(CCC(=O)NNC(=S)Nc2ccccn2)cnn1C	1330288080	KPMKWFWYIIIYKD-UHFFFAOYSA-N	318.406	1.074	50	20	DDGD	
COC(=O)/C=C/c1ccc(C=NNC(=O)C2CCOCC2)o1	1336992496	HAODRVQIQULKIR-TYSMKGOYSA-N	306.318	1.343	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)Cn1ccc2ccccc21	1337068423	SODKSDMTAROLBF-DZGCQCFKSA-N	315.373	1.604	50	20	DDGD	
CC(C)CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)C1CCC1	1346484573	XWLQAHKOYGNCCV-CYBMUJFWSA-N	309.410	1.361	50	20	DDGD	
O=C(O)C12CCC(C(=O)NN=c3cc[nH]cc3Cl)(CC1)C2	1601730939	NCRPQDUARHOPCX-UHFFFAOYSA-N	309.753	1.635	50	20	DDGD	
Cn1nc(NC(=O)NNc2ccccc2Cl)cc1C(=O)O	1608150599	DMRJQNDAULQNQN-UHFFFAOYSA-N	309.713	1.920	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1ccc(CC(=O)O)cc1	1605638747	QTCQOWQAIKRZBH-LLVKDONJSA-N	310.350	1.198	50	20	DDGD	
Cn1cc(C=NNC(=O)[C@H]2CCCO[C@H]2c2ccccc2)nn1	1549083809	NMKZSPFMRKCBBN-GJZGRUSLSA-N	313.361	1.433	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)c(C)c1	1549317520	WOOATHRINFVYAX-HOTGVXAUSA-N	301.390	1.617	50	20	DDGD	
Cc1c([C@H](C)NC(=O)NNC(=O)C(=O)O)oc2ccccc12	1610427411	FMXABVMIFBAQKS-QMMMGPOBSA-N	305.290	1.217	50	20	DDGD	
Cc1cnc(Cl)c(NC(=O)NNC(=O)CCCCCN)c1	1579822246	QLRYFATYEGSJKP-UHFFFAOYSA-N	313.789	1.715	50	20	DDGD	
C[C@H]1Cn2nc(C(=O)NNc3ccc([N+](=O)[O-])cc3)cc2CN1	1576872176	STOYLUFHPBTKTJ-VIFPVBQESA-N	316.321	1.040	50	20	DDGD	
O=C(NNC(=O)[C@]12CC[C@H]1CNC2)c1ccc2ccccc2c1	1580735892	GSBRISQAGKGQCH-YJBOKZPZSA-N	309.369	1.600	50	20	DDGD	
O=C(O)COCC(=O)NNc1c(Cl)cc(F)cc1Cl	1595107140	KJDWKULWQZGDGX-UHFFFAOYSA-N	311.096	1.677	50	20	DDGD	
Cc1occc1C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843363048	QGWNLKLDJOBMEP-NSHDSACASA-N	314.744	1.939	50	20	DDGD	
C[C@]1(CNC(=O)NNc2ccc(CC(=O)O)cc2)CCOC1	1594020675	VVWOUFRTHWLWKU-OAHLLOKOSA-N	307.350	1.366	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@]2(C(=O)O)C[C@H]2C)c(C)c1	1594373489	FGVFHLKSAOWDJX-BMIGLBTASA-N	321.402	1.732	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)N[C@@H](C1CC1)C(F)(F)F	1594782269	VMENYKUIZRJPKT-QMMMGPOBSA-N	318.255	1.747	50	20	DDGD	
O=C(CCCc1ccccn1)NNc1ncccc1C(=O)O	1594685029	FOBIBSSZPGXGRK-UHFFFAOYSA-N	300.318	1.641	50	20	DDGD	
COc1ccccc1NNC(=O)CCCn1ccc(C(=O)O)n1	1599715681	KWJSVGWWLFRQCX-UHFFFAOYSA-N	318.333	1.513	50	20	DDGD	
CC(C)(C)CC(=O)NN=Cc1cccn2c(C(=O)O)cnc12	1776041878	NLODDLGOACDIRK-UHFFFAOYSA-N	302.334	1.919	50	20	DDGD	
CC(C)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Cl)C2	1795923612	MJBXGCCONBLSAC-JXUBOQSCSA-N	308.756	1.907	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1ccccc1O	17526345	KTJMSUBFFJDZRU-UHFFFAOYSA-N	304.277	1.371	50	20	DDGD	
COC(=O)NNC(=O)CCCc1nnc(-c2ccccc2)o1	158855648	NYKGQWFDHXDWQS-UHFFFAOYSA-N	304.306	1.447	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)[nH]n1	151209398	UVUSFICQNNIDPY-CHISNJGVSA-N	320.368	1.788	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccn(C3CCCC3)n2)cc1	151109945	RKZFXUGAOSFNML-UHFFFAOYSA-N	323.356	1.945	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cccc(C#N)c2)n1	155847442	DBEWWCVNULWSJE-UHFFFAOYSA-N	310.361	1.951	50	20	DDGD	
COc1ccc(NNC(=O)NCc2cc(C#N)ccc2F)nc1	157433253	HDMJWJJYNGJTOY-UHFFFAOYSA-N	315.308	1.927	50	20	DDGD	
C=CCNC(=S)NNC(=O)COc1ccc(F)cc1F	6819684	WBPSELUYOKQYNR-UHFFFAOYSA-N	301.318	1.025	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(-n2cccn2)c(F)c1	104269373	LVJDPFNFNMWLOG-UHFFFAOYSA-N	304.325	1.819	50	20	DDGD	
O=C(NNc1ncccn1)NC1CCN(c2ccccc2)CC1	54681955	NTEGXYFJYLZCLI-UHFFFAOYSA-N	312.377	1.772	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCc1ccncc1	9736869	AYZSWOTYEZMJAD-UHFFFAOYSA-N	302.309	1.294	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C2CCN(C(=O)C(C)C)CC2)n1	25932590	GTCGSCGAAZYQSC-UHFFFAOYSA-N	319.409	1.431	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCc2ccccc2F)cc1	57980280	CAIUGWKFGBJYMA-UHFFFAOYSA-N	312.304	1.842	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNC(=O)NCCc1cccs1	65597737	LXJAVAJRTYCWFU-NSHDSACASA-N	313.423	1.826	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=O)c2ccncc2)c1C1CC1	119567311	VLSZRCDRILIAIA-UHFFFAOYSA-N	313.361	1.640	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2cccnc2)c2ccccc2n1	171511535	RIQHLXPVJWDPAV-UHFFFAOYSA-N	320.352	1.942	50	20	DDGD	
Cc1noc(CNC(=O)NNc2cc(F)c(F)cc2F)n1	115819191	HLKCTRLYVZWUJX-UHFFFAOYSA-N	301.228	1.622	50	20	DDGD	
COCCN(C)CCNC(=O)NNc1ccccc1Cl	171212987	FOLWCTNUQGZXHF-UHFFFAOYSA-N	300.790	1.544	50	20	DDGD	
C=CCCCC(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1	175520506	PWJJEQVIJDPBAP-UHFFFAOYSA-N	323.418	1.927	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)COc2ccc(C)cc2)cn1	180602780	OBVWZZXJJHQJKZ-UHFFFAOYSA-N	316.361	1.442	50	20	DDGD	
Cn1ncnc1NC(=O)NNC(=O)Cc1cccc2ccccc12	183334917	ZPJBNDVUFFVDIE-UHFFFAOYSA-N	324.344	1.364	50	20	DDGD	
N#Cc1cccc(NC(=O)NNC(=O)COCc2ccccc2)c1	120985698	OGMRGUDGFXFFOZ-UHFFFAOYSA-N	324.340	1.928	50	20	DDGD	
CC[C@H]1CCC[C@@H](NC(=O)NNC(=O)Cc2cccnc2)C1	77564057	CBZILIYUXLUWRP-GXTWGEPZSA-N	304.394	1.923	50	20	DDGD	
C[C@H](CN1CCCC1=O)NC(=O)NNc1cc(Cl)ccn1	181148729	KXHBGDOEGGNVRW-SECBINFHSA-N	311.773	1.372	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C[C@H]2CCC[C@H]2C)c1O	184674960	IMVPRQVPYZAVBS-GHMZBOCLSA-N	306.362	1.988	50	20	DDGD	
O=C(NNc1cccnn1)[C@H]1CCCCN1Cc1ccccc1	182674543	WDTOAISJTBUGPJ-OAHLLOKOSA-N	311.389	1.974	50	20	DDGD	
C[C@@H](C[S@](C)=O)NC(=O)NNc1c(F)cccc1Cl	185646530	JXYZLXNOBLEHDR-IIYDVTGLSA-N	307.778	1.872	50	20	DDGD	
C#CCNC(=O)NNC(=O)c1ccc(F)cc1Br	79879278	XSIZVAFMTWOQCN-UHFFFAOYSA-N	314.114	1.165	50	20	DDGD	
Cc1nc(CC(C)C)c(NC(=O)NNC(=O)CCO)s1	126608134	KHUCGOOXVOKLFR-UHFFFAOYSA-N	300.384	1.185	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)Nc1ccncc1[N+](=O)[O-]	183441415	HVQZCBMKDNJPGB-UHFFFAOYSA-N	307.310	1.723	50	20	DDGD	
N#CC1(C(=O)NNC(=O)COCc2ccccc2)CCCC1	78193601	RSSMFGRFTBCDNW-UHFFFAOYSA-N	301.346	1.435	50	20	DDGD	
CC[C@H]1CCCCN1CC(=O)NNC(=O)Cc1nc(C)cs1	70738216	VJKVOAWAEADUPT-LBPRGKRZSA-N	324.450	1.406	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	49468861	VFGSLYQDYZXLQN-UHFFFAOYSA-N	300.702	1.601	50	20	DDGD	
CCCn1cc(NC(=O)C(=O)NNc2cc(C)ccc2C)cn1	132064250	XLUKKGWUQSOQKY-UHFFFAOYSA-N	315.377	1.992	50	20	DDGD	
Cc1nc2ccccc2cc1C(=O)NNC(=O)N1CCOCC1	194899786	FFTQLFIBLVVQMK-UHFFFAOYSA-N	314.345	1.230	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(F)c2)o1	84292388	DLIMROLTNPQTAG-SNVBAGLBSA-N	306.293	1.956	50	20	DDGD	
Nc1c(C(=O)NNc2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-]	134075400	XPMKXZVFFLGMGL-UHFFFAOYSA-N	317.261	1.842	50	20	DDGD	
COc1ccc2c(c1NC(=O)NNC(=O)c1ccc[nH]1)CCC2	191358335	AXCFWQQPMFWWSC-UHFFFAOYSA-N	314.345	1.979	50	20	DDGD	
COc1nccnc1NNC(=O)c1cn(-c2ccccc2)nc1C	132172200	GSTWSXMAPGJNJS-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
CC(C)CN1CCC[C@@H](CNC(=O)NNC(=O)c2ccc[nH]2)C1	130667559	YXYXEJPBAZBBFJ-ZDUSSCGKSA-N	321.425	1.327	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCc2ccccc2O)c(O)c1	80387755	UUAVPCBHLRVDOQ-UHFFFAOYSA-N	314.341	1.800	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1c[nH]nn1	80198881	FPGNDZRQDLDSRN-UHFFFAOYSA-N	303.366	1.172	50	20	DDGD	
COc1cc(Br)cc(C)c1NC(=O)NNC(C)=O	49206702	MJHWBFFTDRHFJS-UHFFFAOYSA-N	316.155	1.939	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccncc1)N1CCc2ccccc21	195381410	VYXKRVFIKHBADN-LBPRGKRZSA-N	310.357	1.294	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C1CCOCC1	198144160	JRDVEHFCWYWNEM-SNVBAGLBSA-N	310.325	1.167	50	20	DDGD	
CCN(C)C(=O)[C@H](C)NC(=O)/C(C#N)=C\c1ccc(O)cc1	194895314	JFIVAEDVSQKNNA-KWJWQAOWSA-N	301.346	1.282	50	20	DDGD	
O=C(CSc1ccncc1)NNC(=O)NC1CCCCC1	192750219	OXZYZYXORIEMLK-UHFFFAOYSA-N	308.407	1.837	50	20	DDGD	
CC(=NNC(=O)c1ccc(-n2cnnn2)cc1)c1ccncc1	254866765	RSAXLHMSCOAOOG-UHFFFAOYSA-N	307.317	1.211	50	20	DDGD	
CCC(CC)n1ccc(C(=O)NNC(=O)c2ccncc2)n1	269296631	HPCKZYVWZNGOCP-UHFFFAOYSA-N	301.350	1.714	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@H](O)COC)cc1	269598453	ZSRVCXFNLNJVNE-CZAWJFPGSA-N	304.346	1.116	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)[C@H](C)OCCOC)c1ccccc1	267155416	IEMZUPDWOPBAIL-JSGCOSHPSA-N	323.393	1.520	50	20	DDGD	
CN(C)C(=O)c1cccc(NC(=O)NNC(=O)CC(C)(C)C)c1	264038767	DBOVBHYTZDEVOS-UHFFFAOYSA-N	320.393	1.977	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H]1CCOC(C)(C)C1	270025483	WMFBFULZJDVCTP-LLVKDONJSA-N	321.377	1.597	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2ccc(Cl)nc2)[C@@H]1OC	275377938	ZJVMMZCRALBGKV-FOGDFJRCSA-N	314.773	1.554	50	20	DDGD	
COC(=O)Nc1cccc(NC(=O)NNC(=O)CC2CC2)c1	273526414	XVXYUOFVGKZZIZ-UHFFFAOYSA-N	306.322	1.818	50	20	DDGD	
O=S(=O)(CBr)N[C@@H]1[C@H]2CCc3ccccc3[C@H]21	272774570	GCSGUFQHDLGBQC-QJPTWQEYSA-N	316.220	1.987	50	20	DDGD	
COC[C@H](C)OC(=O)/C(C#N)=C\c1cc(C(=O)OC)c(C)o1	278642150	QRKNASIBKWZTRU-BVBCSLMJSA-N	307.302	1.860	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNc1nc(-c2ccncc2)no1	370041382	FAWOQGVTKZULHC-KOLCDFICSA-N	305.338	1.636	50	20	DDGD	
COC1(C(=O)NNC(=O)Nc2ccccc2C)CCOCC1	285858345	YHGXXKTVDGMPDF-UHFFFAOYSA-N	307.350	1.343	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C[C@H](C)CC(=O)OC)cc1	288912624	OUWOWKTVIOXTEY-NSHDSACASA-N	306.362	1.599	50	20	DDGD	
COc1cc(NC(=O)NNc2nccnc2C2CCC2)ncn1	286989131	GFPLLDCDYUVKAA-UHFFFAOYSA-N	315.337	1.691	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1	282227437	DFLCZXAEKOJVRP-STQMWFEESA-N	320.393	1.216	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)n1	280816919	INYWMRBLBVZUMH-SCRDCRAPSA-N	318.377	1.292	50	20	DDGD	
CNc1ccccc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C(C)(C)C	298903781	LFGJOTLSZOPZMO-JSGCOSHPSA-N	319.405	1.941	50	20	DDGD	
CCOc1cc(CNC(=O)NNc2ccncn2)ccc1OC	296295260	FKHUASCEPLZCMA-UHFFFAOYSA-N	317.349	1.710	50	20	DDGD	
O=C(C[C@H]1CCCC(=O)N1)NNC(=O)c1cc2c(s1)CCC2	809145519	ZDODNHMKFQSQLD-SNVBAGLBSA-N	321.402	1.057	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(C2CC2)cc1)NC1CCCC1	296116874	YDUPRTAWBCQHEX-UHFFFAOYSA-N	323.418	1.999	50	20	DDGD	
CN(NC(=O)c1ccccc1-n1cnnn1)C(=O)OC(C)(C)C	297490331	AONAKZSMPNQYIU-UHFFFAOYSA-N	318.337	1.174	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@H](C(=O)NNC(=O)c2ccc[nH]2)C1	299251199	QFMDNQIUYYIWIB-NSHDSACASA-N	320.393	1.060	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)[C@@H]2CCCCO2)c1	295688097	YSMPKTOIPLTORZ-AWEZNQCLSA-N	306.362	1.344	50	20	DDGD	
CCC[C@H](CC)NC(=O)NNC(=O)c1ccc2c(c1)OCCO2	299370766	YIRTYWSRWDKHFY-LBPRGKRZSA-N	321.377	1.981	50	20	DDGD	
CC(C)O[C@H](C(=O)NNC(=O)c1ccc[nH]1)c1ccccc1	292033394	QGUFAKIMAXMLIH-AWEZNQCLSA-N	301.346	1.942	50	20	DDGD	
COc1nccnc1NNC(=O)c1cncc(C(F)(F)F)c1	809765266	LYAMDOKDTBNODC-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
O=C(COCc1ccccn1)NN=c1cc[nH]c2ccccc12	806811059	JANBSYFWHPTOPA-UHFFFAOYSA-N	308.341	1.712	50	20	DDGD	
C[C@H]1CCC[C@H](OCC(=O)NNC(=O)N=c2cc[nH]cc2)C1	802028219	OLLQFMKAJTUBTD-AAEUAGOBSA-N	306.366	1.252	50	20	DDGD	
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NNc1cccc(Cl)n1	292866892	BOUAGVDRRZBHPV-BDAKNGLRSA-N	313.789	1.664	50	20	DDGD	
O=C(COCc1cccnc1)NNC(=O)c1ccccc1F	805152710	JCNIMOXYPMPKBF-UHFFFAOYSA-N	303.293	1.199	50	20	DDGD	
O=C(Cn1cc(Cl)cn1)NNC(=O)c1ccc(Cl)nc1	806498606	MWBZEEXEIHKVID-UHFFFAOYSA-N	314.132	1.046	50	20	DDGD	
CCCCC(=O)N1CSC[C@H]1C(=O)NNc1ccncn1	295589664	XCCXFAAOAQLQKT-JTQLQIEISA-N	309.395	1.011	50	20	DDGD	
O=C(Cc1coc(-c2ccc(Cl)cc2)n1)NNc1nc[nH]n1	816634131	ZHLDDGOULUDODV-UHFFFAOYSA-N	318.724	1.799	50	20	DDGD	
Cc1noc2nc(C(C)C)cc(C(=O)NNc3cnnn3C)c12	816769267	AKNXGLKSFSWNAO-UHFFFAOYSA-N	315.337	1.540	50	20	DDGD	
N#Cc1ccsc1NC(=O)C(=O)NNc1ccnc(F)c1	815600875	HQLCEQWORSRZIL-UHFFFAOYSA-N	305.294	1.236	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNc1ccc2c(=O)[nH]ccc2c1	812563500	HEJUXEFNIOVCOE-MNOVXSKESA-N	303.362	1.890	50	20	DDGD	
CO[C@@H](C)[C@@H](C)NC(=O)NNC(=O)c1c(C)nc2ccccn12	811851959	ZIFMPBJOTHRUNB-KOLCDFICSA-N	319.365	1.010	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)C(=O)Nc1cncc(F)c1	815728190	VFNYWPZVTCZHLK-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
CO[C@H]1CCC[C@@H](C(=O)NNC(=O)CCc2ccccc2)C1	814408624	WJKNSENMTHBRGM-CABCVRRESA-N	304.390	1.972	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1cn2ccccc2n1	814953282	XSMVGGVAJNYIPA-UHFFFAOYSA-N	310.313	1.569	50	20	DDGD	
O=C(NCCc1cn[nH]c1)NNC(=O)c1cccc(Cl)c1	811932319	NMILKDWWLQGAOM-UHFFFAOYSA-N	307.741	1.250	50	20	DDGD	
CCCCC(=O)N1CSC[C@@H]1C(=O)NNC(=O)C(C)(C)C	728025136	RSUIPXLWPBRECM-SNVBAGLBSA-N	315.439	1.272	50	20	DDGD	
CC(C)C(=O)Nc1ccc(C(=O)NNc2ncncc2F)cc1	817081091	PZAKWUPKTWSUAY-UHFFFAOYSA-N	317.324	1.967	50	20	DDGD	
CC(C)OC1CC(=NNC(=O)c2ccc(-n3cnnn3)cc2)C1	814755612	DIDWEMUWIHYEIX-UHFFFAOYSA-N	314.349	1.336	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)/C(=C\c1ccccc1)C(F)(F)F	823917336	HYIMLMUVFIIECS-ZDIKFAODSA-N	302.296	1.976	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H](CC)N(C)C(=O)OC(C)(C)C	823950328	ICVWFHXQWREBOD-SNVBAGLBSA-N	316.402	1.372	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)c1cc2ccc(F)cc2s1	726617110	XVJJNVZESCOZHW-UHFFFAOYSA-N	323.349	1.326	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)[C@@H](C)c1ccccc1F	827314657	IFTUHKHOWMDCQI-GVXVVHGQSA-N	323.368	1.984	50	20	DDGD	
N#CC1(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)CCC1	826379941	HPBNOLYDESNWAP-UHFFFAOYSA-N	318.728	1.052	50	20	DDGD	
CN1CC[C@@H](C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)C1	729509830	ILSHYYDVKFARQG-DLUQRMLASA-N	305.422	1.302	50	20	DDGD	
CN(C/C=C\C(=O)NNC(=O)C1CCCC1)CC(F)(F)F	493658300	LKQOFWYXNZMLFY-DAXSKMNVSA-N	307.316	1.374	50	20	DDGD	
O=C(NNc1ccnc(F)c1)Nc1cccc(-c2nn[nH]n2)c1	826449375	PDNYJNNDQTWZJW-UHFFFAOYSA-N	314.284	1.549	50	20	DDGD	
Cn1ccnc1[C@@H](NS(=O)(=O)CCl)c1cccc(F)c1	820781573	ACUWWXVTEUOUKI-NSHDSACASA-N	317.773	1.764	50	20	DDGD	
N#Cc1cc(F)c(N2CC[C@@H](B(O)O)C2)cc1Br	585078728	KOHJTGADILVZON-MRVPVSSYSA-N	312.935	1.513	50	20	DDGD	
CN1CCN(C(=O)/C(C#N)=C/c2cnn(C)c2)c2ccccc2C1	490969223	DOVOOCDRMXBBMS-CXUHLZMHSA-N	321.384	1.806	50	20	DDGD	
Cc1ccc([C@@H]2C[C@H](C)N(CC(=O)NNC(=O)C(C)C)C2)cc1	829312495	ATHRVHBGRBJJED-GOEBONIOSA-N	317.433	1.976	50	20	DDGD	
C[C@H]1Oc2ccccc2[C@H]1NCc1ccc(B(O)O)cc1F	585041724	UJKHYKWXFVFDNY-HWPZZCPQSA-N	301.126	1.117	50	20	DDGD	
CN1CC[C@H](CNC(=O)/C(C#N)=C\c2ccc(O)cc2)CC1=O	491160253	KMKKYHFNFUKOTC-IAOKNECISA-N	313.357	1.284	50	20	DDGD	
CC(C)C[C@]1(CO)CCCN1C(=O)/C(C#N)=C\c1cnn(C)c1	491103739	LUCAGLOTRXXYFO-OLMDTSMNSA-N	316.405	1.727	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCO[C@H](c2cccc(F)c2)C1	732199984	TVNOQPGXVOEWQT-FZMZJTMJSA-N	323.368	1.145	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCO[C@@H](CC(=O)O)C1	909266789	KRVJSHPLXJTGKH-WCBMZHEXSA-N	322.199	1.498	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc2c(c1)CCCO2	901195595	VTGXXVGFYPSRAO-GFCCVEGCSA-N	306.362	1.513	50	20	DDGD	
CCOc1ccc(/C=C/C(=O)N2CC[C@H](B(O)O)C2)cc1OC	585075955	VCMSRVGLZZBVCH-IYNGYCSASA-N	319.166	1.182	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCOc2cc(N(C)C)ccc21	491008360	HTCBIDSULULAHS-QXMHVHEDSA-N	301.346	1.922	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(C(=O)N(CC)CC)cc1	491224284	CMOQKIGAZZUZQT-UHFFFAOYSA-N	307.350	1.560	50	20	DDGD	
O=C(/C=C/c1ccsc1)NN=c1nc(-c2cccnc2)[nH]o1	491741492	LAKHFMKFPBXQSI-ONEGZZNKSA-N	313.342	1.772	50	20	DDGD	
CC1(C)CCN(C(=O)[C@@]2(C)C[C@H]2Br)CC[S@]1=O	909222372	WJMFXPITTPVVQN-CIBPLQMKSA-N	322.268	1.920	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCc3ccccc3O2)o1	839699606	LEBJKKYDHYKIBW-CQSZACIVSA-N	300.314	1.743	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCOc1cccnc1	734007403	TUUIXKHHKAOPDO-UHFFFAOYSA-N	314.345	1.413	50	20	DDGD	
COCCN(C)NC(=O)C1CCN(c2ccc(C)cn2)CC1	837624356	ZMYNASQLLOTQRD-UHFFFAOYSA-N	306.410	1.216	50	20	DDGD	
COC(=O)NNC(=O)c1cc(-c2ccc3c(c2)CCO3)no1	495368337	ZGWKQMRZEKNJHI-UHFFFAOYSA-N	303.274	1.277	50	20	DDGD	
COc1cc([C@H](C)NCc2ccc(B(O)O)cc2)ccc1F	585031287	CEIQBNQCRHTYQN-NSHDSACASA-N	303.142	1.365	50	20	DDGD	
OB(O)c1ccc(-c2noc(-c3ccn(C4CCCC4)n3)n2)cc1	585051045	SEUDFMWYRWLRQA-UHFFFAOYSA-N	324.149	1.395	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1cnn(C)n1	834979004	YSODMSWEPIYUSK-SNVBAGLBSA-N	321.768	1.776	50	20	DDGD	
O=C(O)NCCCC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	739956630	IQERJTNWUKFUDY-UHFFFAOYSA-N	316.701	1.739	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(C#N)c1	905431543	GCMXXQUNGZMLNQ-ZDUSSCGKSA-N	319.386	1.223	50	20	DDGD	
CO[C@@H]1C[C@@H](NCC(=O)NNC(=O)c2ccc(C)cc2)C1(C)C	831334719	ZKHABECZCDEPHI-ZIAGYGMSSA-N	319.405	1.159	50	20	DDGD	
CCn1cc(C=NNC(=O)COc2ccccc2F)c(C)n1	901132800	FOPGVYQAHNJSOK-UHFFFAOYSA-N	304.325	1.880	50	20	DDGD	
CC(C)(C)[C@H]1OCCC[C@@H]1CNCc1ccccc1B(O)O	585024507	YOYMLMILORTQBR-ZBFHGGJFSA-N	305.227	1.297	50	20	DDGD	
OB(O)[C@@H]1CCN(Cc2ccc(OCCN3CCCC3)cc2)C1	585076181	KKSUOEXPRURIKF-MRXNPFEDSA-N	318.226	1.210	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H](C)c2nncn2C)cc1	905152693	FSZGLNNUJAWQHF-JTQLQIEISA-N	304.354	1.601	50	20	DDGD	
C[C@H](CNC(=O)[C@]1(C)C[C@@H]1Br)c1nncn1C	907640924	PJMKKRQUDFZOPV-VHSKPIJISA-N	301.188	1.208	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NCCN(C)C(C)C)cc1	836281256	IMTPLOAUXUGRLZ-UHFFFAOYSA-N	323.397	1.371	50	20	DDGD	
CC[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(B(O)O)cc1	584974903	JPGNVGMKBSSBRS-QGZVFWFLSA-N	309.174	1.344	50	20	DDGD	
O=C(NNc1cnccn1)c1cccc(Br)c1O	734244983	CYIWTEMFQVFWON-UHFFFAOYSA-N	309.123	1.702	50	20	DDGD	
CCC[C@@H](CNC(=O)NNC(=O)Nc1ccc(OC)cc1)OC	836522444	DKFSQNBKRBWCRF-ZDUSSCGKSA-N	324.381	1.846	50	20	DDGD	
CCc1c(NCc2cccc(B(O)O)c2)cnn1C1CCCC1	585038032	QFACOLFKVTWAJI-UHFFFAOYSA-N	313.210	1.853	50	20	DDGD	
Cc1cc(C(=O)NN=C[C@@](C)(CN(C)C)c2ccccc2)n[nH]1	834964435	UOYMWJDBSBQMLC-KRWDZBQOSA-N	313.405	1.953	50	20	DDGD	
CCC[C@H]1CCCC[C@@H]1CNC(=O)NNC(=O)c1cnn(C)c1	836658456	LSVBZLWSCGPJFU-QWHCGFSZSA-N	321.425	1.971	50	20	DDGD	
CC(C)(C)C(=O)NCCC(=O)NNc1ncc(F)cc1F	837206835	PHWCTIZZQZHWAC-UHFFFAOYSA-N	300.309	1.355	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)NCC1CCCCCC1	838667457	DKCRXGBKSXPEHD-LBPRGKRZSA-N	315.414	1.339	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCCN1CCCC1	731543210	YOVGYYJCGNTBOM-UHFFFAOYSA-N	320.393	1.125	50	20	DDGD	
CN(C)c1cc(C(=O)NN=C2C(=O)N(C)c3ccccc32)ccn1	731562060	KLANMKMNPLSAGP-UHFFFAOYSA-N	323.356	1.258	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CCCNC(=O)O)c1C	738735612	DGERWRPIQISKPL-UHFFFAOYSA-N	324.406	1.669	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1	833118848	QFNKQOLZGORFNP-VXGBXAGGSA-N	322.336	1.407	50	20	DDGD	
COc1ccc2c(ccn2CC(=O)NNc2cc(C)ncn2)c1	734256680	RPPBAMAAGFPMDZ-UHFFFAOYSA-N	311.345	1.892	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cccc2c1ccn2C	831416998	OWMOCPPVWQXIRN-WDEREUQCSA-N	316.361	1.756	50	20	DDGD	
CO[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2C)C12CCC2	838763440	CQCZKKVACBBMOC-UONOGXRCSA-N	317.389	1.897	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2c(C)cnn2C)c(C)c1	839482461	CDRKWHDYNUDYFA-UHFFFAOYSA-N	315.377	1.218	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=Cc2ncc[nH]2)cc1	731151054	LICAYFKVKPYWCU-NSHDSACASA-N	302.334	1.726	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CNCC(F)(F)F)ccc1F	837038086	MTYXRADVKHLNJA-UHFFFAOYSA-N	323.246	1.207	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccnn1C(C)(C)C	831688310	OSMNLMXIOGVXQE-ZJUUUORDSA-N	309.370	1.216	50	20	DDGD	
C[C@H](C(=O)NNc1ccccc1S(C)(=O)=O)c1ccco1	743368641	QVJVJQJFNJZPMP-JTQLQIEISA-N	308.359	1.930	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@@H](C)c2c(C)noc2C)n1	749837285	GKKWOJPOONPIMF-JTQLQIEISA-N	319.365	1.056	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccccc2F)cn1	918542366	XBOZCUXOGJCUSL-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1c(C)cc(F)cc1C	849984067	SCGCNGCCTATRQT-JTQLQIEISA-N	310.325	1.545	50	20	DDGD	
O=C(CCCOCc1ccccc1)NNC(=O)c1ncccn1	841353526	DJOIRFLNULCISF-UHFFFAOYSA-N	314.345	1.235	50	20	DDGD	
CC(C)N(CCNC(=O)NNC(=O)CC(F)(F)F)C(C)C	918055611	IXOWOORPOWLRLQ-UHFFFAOYSA-N	312.336	1.388	50	20	DDGD	
Cn1c(NNC(=O)[C@H]2CC23CCCC3)nc2ccccc2c1=O	747392936	MUSHBLYIMCHIAK-GFCCVEGCSA-N	312.373	1.957	50	20	DDGD	
C[C@@H]1CCCC[C@H]1NC(=S)NNC(=O)NCC(F)(F)F	917597253	IXKIDSIBVIUGNU-HTQZYQBOSA-N	312.361	1.806	50	20	DDGD	
CN(CC(=O)NNC(=O)C1CC1)c1nc2ccccc2s1	919743531	VCMYJAVEOHLFQM-UHFFFAOYSA-N	304.375	1.290	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1(Cc2ccccc2)CC1	843652622	KFBNXSAKANASOM-OCCSQVGLSA-N	302.374	1.582	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-]	910149629	HNEYCWDGLYUBAW-SSDOTTSWSA-N	319.720	1.274	50	20	DDGD	
CCn1c(C(C)=NNC(=O)c2cnn(C)c2)nc2ccccc21	741460277	LKUCIMFFTWXUBW-UHFFFAOYSA-N	310.361	1.944	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc2c(s1)CCOC2	843649024	SYXOOGQBMWIXCV-PSASIEDQSA-N	310.375	1.007	50	20	DDGD	
COCc1ccc(CNC(=O)NNC(=O)CC(F)(F)F)cc1	918067888	PAAIQCHUNPJSQT-UHFFFAOYSA-N	319.283	1.616	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)[C@H]1COc2ccccc2O1)C(C)(C)C	742469832	ITLQMHMNWBSORY-CFRMROPGSA-N	318.373	1.966	50	20	DDGD	
CN(NC(=O)Nc1cccc(Cl)c1)C(=O)N1CCNCC1	841002429	QPYLAMZQXGEHKN-UHFFFAOYSA-N	311.773	1.334	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(C)c1	842587093	VUYFGIVNSRGWEQ-VXGBXAGGSA-N	312.391	1.038	50	20	DDGD	
CCc1ccc([C@H](C)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	843646244	INOFZPSSPVNBMQ-ZOWXZIJZSA-N	304.390	1.925	50	20	DDGD	
C[C@@H]1O[C@H](C)C[C@@H]1CNC(=O)NNC(=O)CCc1ccccc1	840436368	OVNBKHYKNABAEL-VNHYZAJKSA-N	319.405	1.763	50	20	DDGD	
C[C@@H]1CCCc2ncc(C(=O)NNC(=O)c3ccc(C#N)cc3)n21	845337993	BQOPBCNGQKWZAZ-LLVKDONJSA-N	323.356	1.727	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cc2ccccc2o1)C(=O)C1CC1	749466946	CGVPRJLUAPJGHI-UHFFFAOYSA-N	315.329	1.062	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@H]1CCN[C@H](C)C1	841989255	ZQWJLCCDLLXQGX-OCCSQVGLSA-N	304.394	1.008	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)C[C@H](OC)C1CCCC1	849303604	GSVMTMAVIDNTRA-JQWIXIFHSA-N	306.428	1.188	50	20	DDGD	
CC(C)CO[C@H](C)C(=O)NNc1ncc(Br)cn1	848320714	ULUZTDMPXDJZKH-MRVPVSSYSA-N	317.187	1.743	50	20	DDGD	
COC(=O)CCCNC(=O)NC[C@]1(C)C[C@H]1Br	856830496	OJQKLRZFVLBMGG-KCJUWKMLSA-N	307.188	1.412	50	20	DDGD	
CC(=O)c1cccc(C(=O)NNc2cc(Cl)nc(N)n2)c1	753457791	UEDMPVDIZOBEEW-UHFFFAOYSA-N	305.725	1.672	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]21	857113897	GEBZBQRHRBVOCI-UTUOFQBUSA-N	309.410	1.265	50	20	DDGD	
Cc1ccc(C[C@H](C)NC(=O)NNC(=O)c2cn[nH]c2)s1	858239961	XFHINXWOEIGONE-QMMMGPOBSA-N	307.379	1.355	50	20	DDGD	
O=C(CN1C[C@@H]2CCCC[C@@H]21)NNC(=O)c1ccc(F)cc1	852219819	DMBJMERVFPQHTC-JSGCOSHPSA-N	305.353	1.461	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)c1cc(OC)cc(OC)c1)C1CC1	858136711	ZBTTYDYYVPNILS-CQSZACIVSA-N	322.361	1.280	50	20	DDGD	
CCn1ccnc1C=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1	755587974	MFQDCBZUEDTAGO-MGPQQGTHSA-N	321.425	1.098	50	20	DDGD	
C[C@]1(CNC(=O)c2cnn3cccnc23)C[C@@H]1Br	857400149	BBNRHPRVHBXMOT-JOYOIKCWSA-N	309.167	1.633	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=O)c1cccc(Cl)n1	857325619	DTELBXHWXRJEOE-GMTAPVOTSA-N	324.812	1.757	50	20	DDGD	
CC[C@H](C)CCNC(=O)NNC(=O)COc1ccccc1O	852489569	FIYMXPRGCAVLKP-NSHDSACASA-N	309.366	1.538	50	20	DDGD	
C[C@@H](CBr)COC(=O)CNC(=O)N1CCCC1	923011126	KNGYLVGTCAIBLD-VIFPVBQESA-N	307.188	1.366	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)CCCNC(=O)C(C)(C)C)CCN1C	853408967	DSGJTLGEDRLTCM-GFCCVEGCSA-N	310.442	1.515	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)CC1(C)CC1	757766771	PYOLPOGHGODKLV-UHFFFAOYSA-N	314.389	1.936	50	20	DDGD	
Cn1ncc(C(=O)NN=c2cc[nH]cc2Cl)c1C(F)(F)F	757418932	DXSCFXAOZYXLLD-UHFFFAOYSA-N	319.674	1.666	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1	756165473	VLZJWKUMBOUQBM-UHFFFAOYSA-N	322.123	1.628	50	20	DDGD	
COc1ccc(C(=O)NNc2ncccc2[N+](=O)[O-])cc1OC	920957519	LSRDESWFJIGXAH-UHFFFAOYSA-N	318.289	1.764	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)COc2ccc(F)cc2)nn1C	757752442	DVJKSFWNYIRQHA-UHFFFAOYSA-N	321.312	1.099	50	20	DDGD	
COc1ccc(C(=O)CCCCC(=O)NNC(=O)N(C)C)cc1	759381211	ZLGSVPYWLQLWAL-UHFFFAOYSA-N	321.377	1.741	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNc1ccc([N+](=O)[O-])cc1F	855622042	VIOXOLSQRGAVLD-UHFFFAOYSA-N	312.301	1.339	50	20	DDGD	
COC(=O)c1coc(C=NNC(=O)CNc2ccccc2)c1	758075213	ZSUUBOSDWUSHKZ-UHFFFAOYSA-N	301.302	1.628	50	20	DDGD	
CC1(CC(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)CC1	758827729	HFZAFFYPEBHTSS-UHFFFAOYSA-N	324.764	1.834	50	20	DDGD	
CC[C@H]1COCC1=NNC(=O)C(=O)Nc1ccc(C)c(C)c1	853280085	CWUSMQYGFPXBQO-LBPRGKRZSA-N	303.362	1.771	50	20	DDGD	
O=C(NC[C@H]1CCCS1(=O)=O)NNc1ccc(F)c(F)c1	921518327	AZZGHJFQAVZGLH-SECBINFHSA-N	319.333	1.168	50	20	DDGD	
COc1c(F)cc(F)cc1NC(=O)NNC(=O)c1cccn1C	757688457	ZYDUDCVGMKOCPC-UHFFFAOYSA-N	324.287	1.778	50	20	DDGD	
Cn1nncc1NNC(=O)[C@@]1(C(=O)OC(C)(C)C)CC1(C)C	857270247	VCFCOBOBHZSAJY-CQSZACIVSA-N	309.370	1.016	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)NCCCC#N)cc1	753260072	CDLIBVTYHUAJPU-UHFFFAOYSA-N	306.391	1.721	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@](C)(O)c1cccc(C(F)(F)F)c1	754844052	ZCWKVHXVFAPNJH-CYBMUJFWSA-N	318.295	1.716	50	20	DDGD	
CCn1nccc1NC(=O)NNC(=O)c1ccccc1OC	757903338	SZSIEXDJZFSFJF-UHFFFAOYSA-N	303.322	1.378	50	20	DDGD	
CCn1nncc1C(=O)NNc1cc(C(F)(F)F)ccn1	857514269	XFUKBLRMRGJKKI-UHFFFAOYSA-N	300.244	1.469	50	20	DDGD	
Cc1cc(F)ccc1C=NNC(=O)Cc1cc(O)nc(S)n1	750932872	RSGXFBLEFLRISZ-UHFFFAOYSA-N	320.349	1.611	50	20	DDGD	
O=C(CCc1ccon1)NNC(=O)c1cc2c(s1)CCC2	854203076	PEPLYLSQJRFOMI-UHFFFAOYSA-N	305.359	1.619	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccn(-c2ccc(Cl)cc2)n1	756946215	AWMHXBMBFMLLMA-UHFFFAOYSA-N	321.768	1.880	50	20	DDGD	
Cc1cccc([C@@H](C)NC(=O)NNC(=O)c2cn[nH]c2)c1C	858704239	GMMQASVWQXYRRZ-LLVKDONJSA-N	301.350	1.732	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cc(N)nc(Cl)c1)C1CC1	855101927	DEGDHMKKVBXWOE-ZCFIWIBFSA-N	313.814	1.225	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H](c2cccnc2)C(C)C)n[nH]1	869016390	KJIJVQZCJWBMGV-OAHLLOKOSA-N	315.377	1.243	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=C2CCN3CCC[C@@H]23)c1	765573834	UDRAISMQHVGTSE-AWEZNQCLSA-N	321.402	1.044	50	20	DDGD	
C[C@H](NNC(=O)c1cc(Br)n(C)n1)C(F)(F)F	862321883	CEFKFARWFUSQJQ-BYPYZUCNSA-N	315.093	1.368	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C=NNC(=O)[C@H]2CCO[C@@H]2C)c1C	863122325	DFNNZAHNYDTPCL-NEPJUHHUSA-N	321.377	1.683	50	20	DDGD	
CC(C)CC(=O)NN=C1C(=O)N(C)c2cc(N(C)C)ccc21	761770652	ZKDFHEKSTHQKLW-UHFFFAOYSA-N	302.378	1.595	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cc(C)c2c[nH]nc2c1	764677865	VUJWLPQGZLHDMS-UHFFFAOYSA-N	313.321	1.819	50	20	DDGD	
Cc1ccc(CC(=O)NNc2nccn(C)c2=O)c(Cl)c1	762546024	IABMDFGMMLUKPE-UHFFFAOYSA-N	306.753	1.428	50	20	DDGD	
CCCCOC(=O)/C(C#N)=C/c1cn(C[C@@H]2CCCO2)nn1	865215871	ZTVLSOULWJZPPE-BCNIOPEESA-N	304.350	1.707	50	20	DDGD	
Cc1csc(C(=O)NNS(=O)(=O)C[C@H]2CCCOC2)c1	863414545	ZVNJMDQYGFJZCU-JTQLQIEISA-N	318.420	1.047	50	20	DDGD	
Cc1ccnn1CC(=O)NNc1nc(C(F)(F)F)cs1	863895521	PBQZZCVLUFQGDJ-UHFFFAOYSA-N	305.285	1.810	50	20	DDGD	
CC1=NO[C@H](CNS(=O)(=O)c2ccc(CCCl)cc2)C1	867346803	MWWJDEKBHRAIPF-LBPRGKRZSA-N	316.810	1.911	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cccc(Oc2ccncc2)c1	768244877	OEQZMAOUWUUTFJ-UHFFFAOYSA-N	315.329	1.406	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H](C)OCc2ccc(F)cc2)cc[nH]1	862513829	LRQVAEOYPGPVNW-GFCCVEGCSA-N	303.337	1.999	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CCC(=O)N1)c1c(F)cccc1Cl	863147766	LONKGQCAYIOQLD-LLVKDONJSA-N	311.744	1.988	50	20	DDGD	
COc1cccc(NNC(=O)CCCn2nc(C)cc2C)n1	935295662	ROEYZXFHVFVOIR-UHFFFAOYSA-N	303.366	1.827	50	20	DDGD	
Cn1ncc2cc(C(=O)NNCC(F)(F)C(F)(F)F)cnc21	863096264	BAJJGVIYQGYSPK-UHFFFAOYSA-N	323.225	1.400	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(/C=C(\C#N)C(=O)NCCOC)c1C	863176618	YFAMXFZLLVFXEN-XYOKQWHBSA-N	319.361	1.478	50	20	DDGD	
C[C@@H](C(=O)NNCC(F)(F)C(F)(F)F)N1CCSCC1	863097965	SNVPINQTIXBFMU-ZETCQYMHSA-N	321.315	1.242	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)/C=C\CCc2ccccc2)CC1	868121119	HXJZEATTXBAZMH-POHAHGRESA-N	316.405	1.164	50	20	DDGD	
CC/C(=C/C(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(C)cc1	862454813	BJYQOQVCJXQBDS-HCYCVZQXSA-N	315.373	1.214	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNC(=O)c2cc(C)cs2)C1	862478906	WALYIUSTRYOKAR-JTQLQIEISA-N	309.391	1.076	50	20	DDGD	
Cc1nc(C(C)(C)NS(=O)(=O)CC(C)(C)CCl)no1	866695699	AZNWALPKJUJFJT-UHFFFAOYSA-N	309.819	1.798	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2C[C@H]3CC=CC[C@H]3C2)n1	868564205	RFTIAYLVKGOAKA-BETUJISGSA-N	300.362	1.642	50	20	DDGD	
COC(=O)C(=O)NN=Cc1cc(-c2ccccc2)ccc1OC	1116254519	VBVBAGJOWUFZOS-UHFFFAOYSA-N	312.325	1.985	50	20	DDGD	
O=C(NN=Cc1cc(F)ncc1F)c1n[nH]c2c1CCCC2	1117483341	JUPFESKXOHDFRP-UHFFFAOYSA-N	305.288	1.726	50	20	DDGD	
C[C@@H]1CC[C@H](CNC(=O)NNc2ccc(C(C)(C)C)nn2)O1	1117866444	SCNWNQLSQYJJGX-GHMZBOCLSA-N	307.398	1.968	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)c1c[nH]c2cc(F)ccc12	878008052	UYAQVCWCMBEZPY-UHFFFAOYSA-N	305.309	1.683	50	20	DDGD	
Cc1nnc(-c2ccccc2C(=O)NNc2ncc(F)cn2)o1	1116403889	JPHKHXHCCKQVQS-UHFFFAOYSA-N	314.280	1.731	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CNc1ccc(C#N)cn1	772823228	MTCZELBDKRZHIP-UHFFFAOYSA-N	311.349	1.422	50	20	DDGD	
COCCOCC(=O)NN=C1CCOc2c(F)ccc(F)c21	872401060	DXHCGKSLHLLUMO-UHFFFAOYSA-N	314.288	1.231	50	20	DDGD	
CC(CCOCc1ccccc1)=NNC(=O)N1CCN(C)CC1	872369018	XVKVHGAPEOTVIJ-UHFFFAOYSA-N	318.421	1.926	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2ccc(C(N)=O)cc2F)n1	770046725	JJUMHFWLIHUXIO-UHFFFAOYSA-N	318.312	1.480	50	20	DDGD	
COC(=O)c1cc(OC(=O)[C@@H]2CCO[C@H]2C)ccc1[N+](=O)[O-]	770732395	BGIWSIACWZUZBC-WCBMZHEXSA-N	309.274	1.712	50	20	DDGD	
COC(C)(C)CC(=O)NNC(=O)c1nc2ccccc2s1	874914231	PAVMYQCNFQVHEC-UHFFFAOYSA-N	307.375	1.872	50	20	DDGD	
CCOC(=O)COc1ccc(/C=C(/C#N)S(C)(=O)=O)cc1	1116212863	LQJLEODECZTHKI-JYRVWZFOSA-N	309.343	1.538	50	20	DDGD	
CC[C@H]1C[C@@H](C(=O)NNC(=O)c2cccc(C#N)c2)CCO1	779904416	ZABBOSTYBAXKCK-KBPBESRZSA-N	301.346	1.524	50	20	DDGD	
CC[C@H](CO)C(=O)NNC(=O)CSc1ccc(Cl)cc1	779723820	AUMKDJRYQWJIAS-SECBINFHSA-N	316.810	1.598	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)c(F)c1	887143132	MLQDISQZTNCAIM-SNVBAGLBSA-N	310.300	1.683	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@@](O)(CC)c1ccccc1	887150789	XHHTVEDUKCIGHF-KRWDZBQOSA-N	302.374	1.625	50	20	DDGD	
CCO[C@@H]1CCCC[C@H]1NC(=O)NNc1ccc(C#N)cn1	889205556	RMRIYTLQKBGPEK-CHWSQXEVSA-N	303.366	1.927	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)C2=CCCCC2)cc1O	882774783	YMIGJOKBBJBJOR-UHFFFAOYSA-N	310.375	1.723	50	20	DDGD	
Cc1ccccc1[C@@H](C)NC(=O)NNC(=O)C1CCOCC1	883028853	WKDAQLBWFPPVFI-GFCCVEGCSA-N	305.378	1.813	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cccnc2C2CC2)c1	783958852	XXRXOKYUYPQHPH-UHFFFAOYSA-N	306.325	1.905	50	20	DDGD	
CCO[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)C1CCOCC1	883735729	KHLYYBYYRJBFNR-CHWSQXEVSA-N	313.398	1.091	50	20	DDGD	
O=C(C[C@@H]1C=CS(=O)(=O)C1)NNc1ccc(Cl)cc1F	885109999	MACKWHLBFJBXPB-QMMMGPOBSA-N	318.757	1.871	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1ccnc(OC)c1	782232733	PWMMAJUQMIMUMG-UHFFFAOYSA-N	306.366	1.235	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc3nc(O)n(C)c3c2)nc1	781527087	MCQXUHNRHOMQFY-UHFFFAOYSA-N	313.317	1.439	50	20	DDGD	
CN(Cc1ncc(Cl)n1C)S(=O)(=O)CBr	782476690	DHJIESDQUFJONJ-UHFFFAOYSA-N	316.608	1.188	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1cccc(C(=O)OC)c1	780800182	BJRDIZCFIOCFHX-AWEZNQCLSA-N	301.346	1.014	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1	887141948	PPCPVKNDLUCJHG-ZDUSSCGKSA-N	321.421	1.222	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C2(SC)CC2)nc1C	789846884	WKZZANMEEORWPB-UHFFFAOYSA-N	310.379	1.300	50	20	DDGD	
CCCn1nccc1C(=O)NNC(=O)c1ccc(C)c(O)c1	882051949	SJFWYOQSDARKGH-UHFFFAOYSA-N	302.334	1.382	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC2CC3(CC(N)C3)C2)cc1	1120584544	MMNGXGDIRADAQM-UHFFFAOYSA-N	316.405	1.463	50	20	DDGD	
O=S(=O)(CCCCl)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1	882210227	WGYCYCJAMAGTSV-NEPJUHHUSA-N	307.843	1.979	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CNc1cc(Cl)ccc1OC	780708087	AODGDJPVBPGCHL-UHFFFAOYSA-N	314.773	1.453	50	20	DDGD	
C/C(N)=C(\C#N)c1nc(-c2cn(CCCN(C)C)nn2)cs1	887517572	QSJBIMGCHITGKI-KHPPLWFESA-N	317.422	1.567	50	20	DDGD	
C[C@]1(C#N)CCCN(CC(=O)NNC(=O)c2ccccc2)C1	784453638	KUPLNENZSPLGBC-MRXNPFEDSA-N	300.362	1.073	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=S)NCCc2cccs2)CO1	784145734	QEMHLACOXAHOQQ-VHSXEESVSA-N	313.448	1.211	50	20	DDGD	
Cc1ccc2[nH]c(C(=O)NNC(=O)C3CCOCC3)cc2c1C	883064002	LEAJXRHXQKTMKY-UHFFFAOYSA-N	315.373	1.972	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCC(=O)NCc1ccc(C#N)cc1	786666547	QBNWPDSUSVVBTR-VIZOYTHASA-N	309.325	1.578	50	20	DDGD	
CSC1(C(=O)NNc2cccc(S(C)(=O)=O)c2)CCC1	787495245	GVVUBSMDWWTBPP-UHFFFAOYSA-N	314.432	1.819	50	20	DDGD	
CC1(C)CC(CNC(=O)NNC(=O)c2ccc(C#N)cc2)C1	780875877	JLQUIQBVJKAVBY-UHFFFAOYSA-N	300.362	1.938	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@@H]1CO[C@H](C)C1	784145209	OBZNILGKQDBBTQ-BDAKNGLRSA-N	312.753	1.535	50	20	DDGD	
CCn1cc(CC(=O)NNc2oc(C(C)C)nc2C#N)cn1	780515624	GSKOCZMZSQAYGL-UHFFFAOYSA-N	302.338	1.572	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)O[C@@H](C(N)=O)C(C)C)cc(C#N)n1C	782626810	QEVJZYLQPLPTLP-WTKLMOFPSA-N	314.345	1.165	50	20	DDGD	
CC(C)Cn1ccc(C(=O)NNc2ccnc(N(C)C)n2)n1	896508705	XKQINVURNKPAEY-UHFFFAOYSA-N	303.370	1.152	50	20	DDGD	
CN(NC(=O)Cc1ccc(Br)c(Cl)c1)C(N)=O	787198570	MEODMWQMXSTSAR-UHFFFAOYSA-N	320.574	1.687	50	20	DDGD	
O=C1NCCC[C@H]1C(=O)NNc1cccc(C(F)(F)F)n1	896514300	QXEWOCLUOIVKFT-SSDOTTSWSA-N	302.256	1.070	50	20	DDGD	
CCc1noc(COCC(=O)NNc2ccc(OC)cc2)n1	894263361	FPIDJEMHIPLFFK-UHFFFAOYSA-N	306.322	1.301	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNc1cccc(C(F)(F)F)n1	895289355	AWRSIILVQRLGID-HTQZYQBOSA-N	317.267	1.743	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CCN2C(C)(C)C)nc1	897235671	VVBZGZCOUCSDHU-NSHDSACASA-N	306.366	1.184	50	20	DDGD	
CC(=NNC(=O)c1cc(Br)c[nH]1)c1ccc(O)nn1	790155536	LPRLOPPUNXEIAW-UHFFFAOYSA-N	324.138	1.427	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(C2CC2)no1	799576559	GUIWPINGYPSEFG-SECBINFHSA-N	323.349	1.291	50	20	DDGD	
O=C(NN=Cc1ccsc1Cl)[C@H]1CCS(=O)(=O)C1	790155397	ISPRUGZPMCLEAM-QMMMGPOBSA-N	306.796	1.286	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)SCCO1	798150469	ZUYJQVJVZNOIBE-UHFFFAOYSA-N	323.330	1.351	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H](C)c2cn(C)nc2C)n1	792894641	AYINGUIWMRYOSC-SNVBAGLBSA-N	316.365	1.137	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ncoc1[C@@H]1CCCO1	1319178474	SVHQAKRNCGZVRU-VIFPVBQESA-N	319.277	1.586	50	20	DDGD	
Cc1noc(Cl)c1CC(=O)NNc1ncc(F)cc1F	1328610264	PIKPIKKMLKWZKH-UHFFFAOYSA-N	302.668	1.995	50	20	DDGD	
COc1c(C(=O)NNC(=O)C(C)(C)C)cnn1-c1ccccc1	1321320309	VOZLPMJTFUJTLB-UHFFFAOYSA-N	316.361	1.688	50	20	DDGD	
Cc1cc(C)n2ncc(C(=O)NNc3cccc(F)n3)c2n1	1327015163	UUEZSIXSCUWFMW-UHFFFAOYSA-N	300.297	1.637	50	20	DDGD	
CCn1cc(CC(=O)NNc2cncc(Br)c2)cn1	1320833602	HTGRWEYACIQODF-UHFFFAOYSA-N	324.182	1.746	50	20	DDGD	
CCOCc1ccc(NC(=O)C(=O)NNC(=O)CC2CC2)cc1	1337974691	NVMFQUONLMRAAS-UHFFFAOYSA-N	319.361	1.109	50	20	DDGD	
O=S(=O)(CBr)NCCSCC(F)(F)F	698961195	MINGRHWHNORRTL-UHFFFAOYSA-N	316.164	1.554	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ncc(Cl)s2)cc1	1344336676	VSNUHARWZNGTOD-UHFFFAOYSA-N	311.750	1.880	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCCC(F)F	1343097931	INPMJXQTKUVHIH-UHFFFAOYSA-N	301.293	1.685	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=S)Nc1ccccc1-c1nn[nH]n1	1603994282	ASLOJMXXOAQZDY-MRVPVSSYSA-N	319.394	1.230	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CC(F)(F)F)cc1C(=O)O	1600341507	KRIVIABEUMLPCC-UHFFFAOYSA-N	304.224	1.407	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCCCCC(=O)O)c1	1607923326	CMHWUWGBOQNUDO-UHFFFAOYSA-N	313.379	1.646	50	20	DDGD	
C[C@@H]1CCNC[C@@H]1NC(=O)NNc1ccc(C(=O)O)cc1F	1604760665	QVEJBPYWWUXHLO-PELKAZGASA-N	310.329	1.148	50	20	DDGD	
O=C(O)[C@@H](NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1ccc(Cl)cc1	1608552479	IXUOOGCBVPEBCN-LPWJVIDDSA-N	324.764	1.654	50	20	DDGD	
Cc1ccc(NNC(=O)COCc2cccnc2)cc1C(=O)O	1600461817	XLIHZYQBZNVDEK-UHFFFAOYSA-N	315.329	1.748	50	20	DDGD	
O=C(c1cccc(CCl)c1)N1C[C@H]2COCC[C@@]2(C(=O)O)C1	1602626730	MMDCJGDNECDLPI-XJKSGUPXSA-N	323.776	1.989	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)Nc1nnc2ccccn12	1601558743	FIHWFILUEXBMJA-UHFFFAOYSA-N	312.289	1.576	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)c(F)c1)c1ncc(Cl)cn1	1601556799	NRSNSIUYDQCLNW-UHFFFAOYSA-N	310.672	1.724	50	20	DDGD	
O=CN1CCC[C@@H]1C(=O)NNc1ccc(C(=O)O)c(Cl)c1	1602663471	SKWWKTCYTHFGIP-LLVKDONJSA-N	311.725	1.102	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccsc2C(=O)O)c1	1601116366	CGECUBSOWKLJNU-UHFFFAOYSA-N	315.310	1.393	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)N[C@@H]1COC2(CCC2)C1	1601556782	KOKJPHOIMKBWKY-JTQLQIEISA-N	323.324	1.862	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1ccccc1Br	1602071934	BYIPWXNNJRVBGO-UHFFFAOYSA-N	300.112	1.167	50	20	DDGD	
O=C(O)[C@@H](NS(=O)(=O)c1ccc(CCl)cc1)C1CC1	1601679627	UHYGBAOCAHRNJV-NSHDSACASA-N	303.767	1.567	50	20	DDGD	
CCN(CCNC(=O)NNc1ccc(F)c(C(=O)O)c1)C1CC1	1610002272	TVINAWGDDBWFPG-UHFFFAOYSA-N	324.356	1.634	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1cc(C(=O)O)co1	1610368274	ZTEWWJCOWYJJBG-UHFFFAOYSA-N	318.285	1.516	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@@H]1C(=O)NN=Cc1cccnc1	1549309100	KWVVPGZPVGEDNC-KBPBESRZSA-N	313.361	1.433	50	20	DDGD	
CCCN(CC(=O)O)C(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	1610216255	QUDJXIMXYDZORH-AWNIVKPZSA-N	314.345	1.435	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1ccc(F)cc1	1549314624	JHRDWQNIWKETQE-GJZGRUSLSA-N	305.353	1.529	50	20	DDGD	
Cn1ccc(C=NNC(=O)[C@H]2CCCO[C@@H]2c2ccnn2C)c1	1549322624	ZXQRFUMEHXMBMP-ZFWWWQNUSA-N	315.377	1.377	50	20	DDGD	
COCC(=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccnn1C)C1CC1	1549314035	AUYJCTVERBGZPH-DOMZBBRYSA-N	320.393	1.416	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCCNC2CCCCCC2)cn1	1579959618	UEXRNEZZXKZHEQ-GDNBJRDFSA-N	315.421	1.756	50	20	DDGD	
CSSCCNC(=O)[C@H]1NCCc2cc(C#N)ccc21	1579385054	SFFUSJPMTHZVSK-ZDUSSCGKSA-N	307.444	1.872	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C2(F)CCNCC2)c(C)c1	1579722950	PFPVXTTVTIGMAF-UHFFFAOYSA-N	324.425	1.713	50	20	DDGD	
CNNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1	1578744746	MUGHOQRTIMNPQN-UHFFFAOYSA-N	302.300	1.567	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@]2(C(=O)O)C[C@H]2C)c1	1588438942	ABWVBRMEEAZQNR-PSLIRLAXSA-N	317.370	1.096	50	20	DDGD	
O=C([C@@H]1CCCS1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843367166	KELGXZGFBCHTNN-VHSXEESVSA-N	320.817	1.620	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)CCN(C)C)C1	1842822693	HHTPLGNHDWPEHE-GFCCVEGCSA-N	315.845	1.159	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1ccc(C)c(C(=O)O)c1	1596663465	SMHMZRBOEVOSPU-UHFFFAOYSA-N	323.349	1.663	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1nc2c(s1)CC[C@@H](C(=O)O)C2	1596509177	CDHIFLCZUDXXOZ-XZZQCUQZSA-N	321.358	1.715	50	20	DDGD	
C[C@H]1CC[C@@H](CNC(=O)NNc2ccc(F)c(C(=O)O)c2)O1	1594305436	NFGUFYNBYBAQNL-WPRPVWTQSA-N	311.313	1.718	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](CF)C(=O)O)cc1	1597081455	KNFRWKCTWUVKQZ-HJTPGIPUSA-N	306.293	1.531	50	20	DDGD	
O=C(NNc1ncncc1F)Nc1ccc(C(=O)O)cc1F	1594781640	RKUIIOVEWMUPPJ-UHFFFAOYSA-N	309.232	1.602	50	20	DDGD	
CSCc1cccnc1C(=O)NNc1ncccc1C(=O)O	1594189216	WJDNIYDGRVNIIE-UHFFFAOYSA-N	318.358	1.795	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@H](F)C(=O)O)c1C	1596108948	XYJZKDQGKSVLGB-LVOZBFFPSA-N	321.352	1.961	50	20	DDGD	
C[C@@H]1CCN(S(=O)(=O)CC(C)(C)CCl)[C@@H](C(=O)O)C1	1594426106	AQORXQTZYIGSOS-NXEZZACHSA-N	311.831	1.766	50	20	DDGD	
O=C(NN=Cc1c(O)c(C(=O)O)cc2ccccc12)c1cc[nH]n1	1776091904	MZCMQTVQOKQPHC-UHFFFAOYSA-N	324.296	1.731	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1	5579081	LZQFPIROIWQBDQ-HNNXBMFYSA-N	312.325	1.596	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)COc1ccccc1F	5823556	VAVJUEIMZYDOPM-UHFFFAOYSA-N	318.304	1.674	50	20	DDGD	
C#CCOCCC(=O)NNC(=O)c1ccc(Cl)cc1OC	161194586	CVCLMJIFTJGXGO-UHFFFAOYSA-N	310.737	1.150	50	20	DDGD	
O=C(COC[C@H]1CCCO1)NNc1cnc2ccccc2n1	163437109	KSPLMCNUOLKOGQ-LLVKDONJSA-N	302.334	1.269	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(-c3cccs3)n[nH]2)on1	152304007	ZSZGZNQWSKUGQP-UHFFFAOYSA-N	317.330	1.509	50	20	DDGD	
CC1(C)CCCC[C@@H]1NC(=O)NNC(=O)Cc1ccncc1	157087270	ZVDWBJRHHFANFX-ZDUSSCGKSA-N	304.394	1.923	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)c2cccc(C#N)c2)CCCO1	155170509	JUFYYSLYKNNQPA-OAHLLOKOSA-N	302.334	1.071	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ccccc2F)c(C)n1	155640852	JIXWTLWZZKIKOQ-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cccnc2OC)n1	155868666	SJGJOQWLZRRCSF-UHFFFAOYSA-N	316.365	1.483	50	20	DDGD	
O=C(CSc1nc2ccccc2[nH]1)NNc1ncccn1	154308854	CGANUIWNZKBUGK-UHFFFAOYSA-N	300.347	1.588	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccccn1	6208640	GWKAFIZSGDXHSS-JTQLQIEISA-N	303.293	1.449	50	20	DDGD	
COc1ccccc1[C@@H](C)CC(=O)NNC(=O)[C@@H]1CCCO1	103069806	XIZMFBSFCHXEFZ-FZMZJTMJSA-N	306.362	1.515	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1ccc(O)cc1O	8571482	ZCJXHLZHANXVBO-UHFFFAOYSA-N	301.302	1.873	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CC[C@H]2CCCCO2)cc1	110602276	ZCQCVTKAOSXSFC-CQSZACIVSA-N	320.389	1.871	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1cccc(OC(F)(F)F)c1	24243282	CLFUKHWMZHAUMT-UHFFFAOYSA-N	314.241	1.135	50	20	DDGD	
CCCNC(=O)c1cccc(C(=O)NNc2cc(C)ncn2)c1	172622734	DLQHZKJCPNKSEU-UHFFFAOYSA-N	313.361	1.682	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)c2cnccn2)cc1	173413469	FYVOEVQUNDCDBE-UHFFFAOYSA-N	300.322	1.009	50	20	DDGD	
CCOc1ncccc1C(=O)NNC(=O)c1ccc(C#N)cc1	61464917	ZEMGNPDTDXHEMQ-UHFFFAOYSA-N	310.313	1.427	50	20	DDGD	
O=C(CNC(=O)c1ccccc1)NNc1cc(F)c(F)cc1F	115720433	FMFYRPJXAQBSLS-UHFFFAOYSA-N	323.274	1.977	50	20	DDGD	
COc1ccc(Cl)cc1/C=C/C(=O)NNC(=O)NC1CC1	64427485	ZZLAXXSXFNAWRZ-FARCUNLSSA-N	309.753	1.855	50	20	DDGD	
CO[C@@]1(C)C[C@H](NC(=O)NNc2nc(C)cc(C)n2)C1(C)C	173718790	XLVWUZOFXNPEAD-NHYWBVRUSA-N	307.398	1.923	50	20	DDGD	
COc1ccc(CCC(=O)NNc2nc(C)cc(OC)n2)cc1	174481815	LZYVICQTGDIHNH-UHFFFAOYSA-N	316.361	1.878	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cccc(C(F)(F)F)n1	123886432	MFSMKUQAUJGOIL-UHFFFAOYSA-N	306.244	1.290	50	20	DDGD	
CC(C)CONC(=O)NNC(=O)NCc1ccc(Cl)cc1	127787812	XOPSXEVWWHAPDL-UHFFFAOYSA-N	314.773	1.941	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)[C@H]1C[C@H]2CC[C@@H]1O2	124390582	YVUVKQBNOJBZRB-CSMHCCOUSA-N	302.256	1.506	50	20	DDGD	
CC(C)NC(=O)Nc1ccccc1C(=O)NNc1ncccn1	127709087	ROYZXNOEKGNCKU-UHFFFAOYSA-N	314.349	1.763	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(-n3cncn3)cc2C)n1	180672906	CIMBVAAWGQYDMF-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
O=C(NNC(=O)N1CCC([C@@H]2CCCO2)CC1)c1ccccc1	187263311	OHTHPSCVPVSCCH-HNNXBMFYSA-N	317.389	1.932	50	20	DDGD	
C[C@@H](C1CC1)n1cc(NC(=O)NNC(=O)c2cnn(C)c2)cn1	189651216	NIFUCNCLVJTJTN-VIFPVBQESA-N	317.353	1.054	50	20	DDGD	
C[C@H](O)CC(C)(C)CNC(=O)NNc1nc2ccccn2n1	189268910	KHJDVXQBAMKZCL-JTQLQIEISA-N	306.370	1.153	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)Cc1cccs1	125619432	YJDXDDZWZRWUMY-UHFFFAOYSA-N	322.411	1.936	50	20	DDGD	
CNC(=O)NNS(=O)(=O)c1ccc(Cl)c2ccccc12	122631085	CJTOIVAKNHXWDB-UHFFFAOYSA-N	313.766	1.616	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1ccc(C#N)cc1)[C@@H]1CCCO1	123972415	MLLGZJNIXRJWCV-KGLIPLIRSA-N	316.361	1.460	50	20	DDGD	
COC(=O)[C@H]1CCC[C@@H](C(=O)NNc2nnc(C3CC3)s2)C1	184477113	WPSLFYAZUDCCKO-ZJUUUORDSA-N	324.406	1.838	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H](c2ccccc2)N(C)C)n1	180698171	BCIKNNVIIXPTRF-OAHLLOKOSA-N	300.362	1.836	50	20	DDGD	
CCC[C@@H]1C[C@@H](C(=O)NNC(=S)Nc2ccccn2)CCO1	180485019	ZDNUWEJBNZHMCH-NWDGAFQWSA-N	322.434	1.995	50	20	DDGD	
NC(=O)[C@H]1CC[C@H](C(=O)NNc2cccc(C(F)(F)F)c2)O1	189331781	XZFYDKLIUZLJTC-NXEZZACHSA-N	317.267	1.181	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccn(CC(F)F)n1	133243999	DAPPXGTVIPCVSL-UHFFFAOYSA-N	313.268	1.095	50	20	DDGD	
C[C@@H](CBr)CN1CCC[C@@H]1CN1CCOCC1	133827854	ULFZLQIRBAMSIY-QWHCGFSZSA-N	305.260	1.814	50	20	DDGD	
COc1ccc(F)cc1C(=O)NNC(=O)c1ccc(C)cc1O	80388105	DNOQFRLTMQXEEM-UHFFFAOYSA-N	318.304	1.923	50	20	DDGD	
CCNC(=O)NNC(=O)CSCc1cccc(Cl)c1	49165888	ZCZHNIYXMNRPLS-UHFFFAOYSA-N	301.799	1.924	50	20	DDGD	
COc1cccc(CCNC(=O)NNc2nc(C)cc(C)n2)c1	45760347	JHFGFYHWFXAVTR-UHFFFAOYSA-N	315.377	1.971	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(F)c(Cl)cc1F	134066623	HXKCPUXENOWARZ-UHFFFAOYSA-N	305.737	1.913	50	20	DDGD	
CC[C@@H](C)CC(=O)NNC(=O)C1CCN(c2ncccn2)CC1	191257834	XBDCIPOIZXXPGC-GFCCVEGCSA-N	319.409	1.277	50	20	DDGD	
CO[C@H](CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C)C(C)C	266657349	BPTVVMPTBHTCAY-QHDPKREISA-N	314.389	1.899	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCCO2)N[C@H]1CC=CCC1	265564945	NCUSEXDEQLOTDF-LBPRGKRZSA-N	317.345	1.511	50	20	DDGD	
C[C@H](O)C[C@H]1COCCN1C[C@H](CBr)C1CC1	859254040	MFLVXKXNWXEJCN-DRZSPHRISA-N	306.244	1.879	50	20	DDGD	
CC(C)(Oc1ccc(C#N)cc1)C(=O)NNC(=O)NC1CC1	268881184	ROENBZOUIWPDCR-UHFFFAOYSA-N	302.334	1.208	50	20	DDGD	
O=C(NNc1cccc(C(F)(F)F)n1)[C@H]1C[C@]12CCOC2	364087844	VBLHDVNVURKJJP-PELKAZGASA-N	301.268	1.970	50	20	DDGD	
COC(=O)[C@@H](C)Cc1ccc(NC(=O)NNC(=O)C2CC2)cc1	274085728	HTWZOQQLSNRFMQ-JTQLQIEISA-N	319.361	1.601	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNc2ccc(C(F)(F)F)nn2)O1	270060974	QAABJEHEQNRVLV-SFYZADRCSA-N	304.272	1.896	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCS[C@@H](C)[C@H]2C)n1	279641629	JITLTRBOJUEOCX-MNOVXSKESA-N	308.407	1.570	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNc2nnc(C3CC3)s2)cc1	273617464	LCGKQDNPESVEIJ-UHFFFAOYSA-N	315.358	1.809	50	20	DDGD	
O=C(CCc1c[nH]cn1)NNC(=O)C12CC3CC(CC(C3)C1)C2	276560166	HGNOFGCBJUASPA-UHFFFAOYSA-N	316.405	1.706	50	20	DDGD	
COc1ccc(OC)c([C@H]2C[C@H]2C(=O)NNC(=O)NC2CC2)c1	276281247	PKQHNINNYPXIKJ-DGCLKSJQSA-N	319.361	1.300	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(N(C)C)c2)CCO1	271214075	DVTKNLSPUZVMRC-AAEUAGOBSA-N	320.393	1.264	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNc3cccc(OC)n3)(CC1)C2	365289592	GOZDFODSPQGSEA-UHFFFAOYSA-N	319.361	1.657	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](CO)CC(C)(C)C	272332080	VRIFCBQCBNHQDL-LBPRGKRZSA-N	307.394	1.736	50	20	DDGD	
CC(C)NC(=O)NNS(=O)(=O)c1cc(F)cc(Cl)c1	270119467	LUOVHVBWQDSNPG-UHFFFAOYSA-N	309.750	1.380	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@@]2(C)CCCS2)n1	280824813	IZDBQHWPZOFBHI-CQSZACIVSA-N	308.407	1.620	50	20	DDGD	
Cc1c(CCC(=O)NNC(=O)Nc2ccccc2)cnn1C	283813260	XWAWBBPVEQQVHX-UHFFFAOYSA-N	301.350	1.514	50	20	DDGD	
COCCCOCC(=O)NNC(=O)Nc1ccc(Cl)cc1	283769352	OUVWSDOKBPTFKJ-UHFFFAOYSA-N	315.757	1.546	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2ccc3c(O)nccc3c2)CC1	285801432	UWRNOYBIQSIIQH-UHFFFAOYSA-N	315.329	1.727	50	20	DDGD	
Cn1cc(C(=O)CCC(=O)NNc2nnc(C3CC3)s2)cn1	281657645	SBIRAPJYEUGJQF-UHFFFAOYSA-N	320.378	1.255	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	282792802	WQFXYFZPYIVFMD-OXIWPEFWSA-N	324.352	1.554	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@@H](C)c2cccc(O)c2)O1	298523473	XEDCUHRVTBVCHQ-KWBADKCTSA-N	307.350	1.351	50	20	DDGD	
CO[C@@H]1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)[C@H](C)C1	298565279	PTSJNKOYWHAZBV-BXUZGUMPSA-N	323.368	1.086	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2c3ccccc3O[C@H]2C)n1	291824071	MLPOYWNTBUXGCK-TVQRCGJNSA-N	315.333	1.634	50	20	DDGD	
C[C@H]1CCC[C@](CNC(=O)NNc2ncncc2F)(N(C)C)C1	292895938	BKHLXBFIWXGHHW-NHYWBVRUSA-N	324.404	1.752	50	20	DDGD	
Cc1ccccc1OCC(=O)NNc1ccc(-n2ccnc2)nn1	804952982	WTOKACNKEPAZPF-UHFFFAOYSA-N	324.344	1.493	50	20	DDGD	
O=C(NNC(=O)c1ncccn1)Nc1ccc(OC(F)F)cc1	802043827	RUSRYZBVTAPQFN-UHFFFAOYSA-N	323.259	1.545	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)[C@@H]1CC1(F)F	295512520	LQWRLBHZSBGSQC-ZETCQYMHSA-N	302.302	1.287	50	20	DDGD	
O=C(NCc1ccc(Cl)nc1)NNC(=O)[C@@H]1CCCCO1	296128048	BXSQJBRBMBBFGJ-JTQLQIEISA-N	312.757	1.135	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](C)c2c(F)cncc2F)o1	805862007	PTOLGULVVACLSZ-MRVPVSSYSA-N	324.287	1.966	50	20	DDGD	
Cn1ccc(CNC(=O)NNc2ccc3c(=O)[nH]ccc3c2)n1	807048368	SMEJXDHVFCIJJC-UHFFFAOYSA-N	312.333	1.088	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cc2cc(F)ccc2[nH]1	802026011	LIGBOMFALHIEKU-UHFFFAOYSA-N	313.292	1.590	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1coc(C(N)=O)c1	808028553	FIZZETQYJMFIFM-UHFFFAOYSA-N	321.264	1.061	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	298795751	GYMPGLXAGMVVLG-UHFFFAOYSA-N	323.305	1.173	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2cccc(Cl)c2)ccn1	806984218	ONQJDWIKYXSTJO-UHFFFAOYSA-N	320.736	1.825	50	20	DDGD	
O=C(NCC1(c2ccccc2)CC1)NNc1ncncc1F	292540411	WLQQQNFOKMPUEO-UHFFFAOYSA-N	301.325	1.974	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)[C@@H]2CCCN2C2CC2)c1	294018052	VLAIZJLPQSWXMM-HNNXBMFYSA-N	302.378	1.715	50	20	DDGD	
Cc1cc2c(cc1C)[C@@H](C(=O)NNC(=O)[C@@H]1CCCO1)CO2	292048883	BJLIDCNWPDQADW-STQMWFEESA-N	304.346	1.106	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)Nc2ccccc2)nc1	801990976	GOSDJOZHELXAII-UHFFFAOYSA-N	300.318	1.486	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc(CN2CCCC2)cc1	294273499	VAWKMSWVRHUXGU-UHFFFAOYSA-N	301.390	1.844	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNC(=O)N2CCOCC2)cc1	299333787	CQOXBCOZEVGVDU-UHFFFAOYSA-N	319.361	1.031	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)c2c[nH]c(C#N)c2)cc1	802122821	CINYELKFZAWFDR-UHFFFAOYSA-N	312.333	1.419	50	20	DDGD	
CCC[C@@H](C)C(=O)NNc1ccccc1S(=O)(=O)N(C)C	292285252	LVLCMWKKAYTVNP-LLVKDONJSA-N	313.423	1.816	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNC(=O)c1cn(C)c2ccccc12	809983931	XFJZMQJXFVJKLS-INIZCTEOSA-N	301.346	1.266	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)N[C@@H](C)CN(C)C)cc1	807577384	PFLQHZPEDFFYCE-LBPRGKRZSA-N	324.450	1.368	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=C1CCN(c2cnccn2)CC1	815001192	YERHBEFOKYAAGP-UHFFFAOYSA-N	311.349	1.071	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)Cc2cc[nH]n2)ccnc1Cl	810299336	JPURNJJNPOUVLZ-UHFFFAOYSA-N	308.729	1.162	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNc2nc(C)cc(C)n2)cc1O	816837237	OBVIXPMGRMIBCR-UHFFFAOYSA-N	300.318	1.759	50	20	DDGD	
COCCOC[C@H](C)NC(=O)NNc1cccc(Cl)n1	814309584	DEWOSBRQXXJQMZ-VIFPVBQESA-N	302.762	1.413	50	20	DDGD	
CC[C@@H](C=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccccc1	814835611	WTTFKHSQXNSCJB-NEPJUHHUSA-N	311.407	1.220	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C[C@@H](C)n2cccn2)cc1	819010058	YPRBSKZWTVTGHI-GFCCVEGCSA-N	300.362	1.858	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1	814725284	XWZCLVGVVRBNND-NSHDSACASA-N	323.418	1.843	50	20	DDGD	
CSCc1cccnc1C(=O)NNC(=O)c1ccc(C)o1	810489008	DDOXRKQQIPENMF-UHFFFAOYSA-N	305.359	1.921	50	20	DDGD	
O=C1CCCCC[C@H](C(=O)NNC(=O)NCc2ccco2)C1	813424254	JAZCJOFTJRRGNZ-NSHDSACASA-N	307.350	1.650	50	20	DDGD	
CCC[C@@H]1C[C@H]1C(=O)NNC(=O)c1nnc(O)c2ccccc12	812445625	UXBCWZNSKRBGNG-BXKDBHETSA-N	314.345	1.533	50	20	DDGD	
CC(=O)N1c2ccccc2C[C@H]1C(=O)NCC(Cl)Cl	816605253	REHHVAGWWKAJDC-NSHDSACASA-N	301.173	1.884	50	20	DDGD	
CCc1cnc(C=NNC(=O)c2cncc(NC(C)=O)c2)s1	814883335	JNVPKKPTBDLECG-UHFFFAOYSA-N	317.374	1.823	50	20	DDGD	
CN1C(=O)CC[C@H](NC(=O)[C@H](Br)C(C)(C)C)C1=O	819728940	VMRDBXYSUFGYFV-CBAPKCEASA-N	319.199	1.060	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)cc1)C1CCN(C)CC1	814768077	HNCGIRQDAKZMKA-UHFFFAOYSA-N	316.405	1.767	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1cc(Cl)cc([N+](=O)[O-])c1O	814954362	FDADUHBRJHKKSC-UHFFFAOYSA-N	323.696	1.370	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H]2CCn3cncc3C2)cc1	817896118	POESZKVXYPLKDK-LBPRGKRZSA-N	300.362	1.988	50	20	DDGD	
CC(C)N(C)C[C@H](C)NC(=O)NNC(=O)c1cccc(C#N)c1	811873775	AJHDHJJHJKAGBG-LBPRGKRZSA-N	317.393	1.231	50	20	DDGD	
CN1CC[C@@H](C(=O)NNC(=O)c2cccc(OC(F)F)c2)C1	729533478	LLLYUKIYGOUORR-SNVBAGLBSA-N	313.304	1.001	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)c2c(C)nc3ccccn23)cn1	728858498	RWALCNLOVBRDQM-UHFFFAOYSA-N	319.324	1.094	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC(F)(F)[C@H](C)C1	827268222	MLTFRSDMWNJQMC-KXUCPTDWSA-N	305.325	1.129	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1c(-n2cccc2)sc2c1CCC2	823938968	DBJRZBMLDHJXEK-NSHDSACASA-N	319.430	1.985	50	20	DDGD	
C[C@H]1CCCC[C@@H]1NC(=S)NNC(=O)Cc1cccnc1	728798663	KVGQRGAYYYECSW-AAEUAGOBSA-N	306.435	1.698	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C)Cc1ccc(Cl)s1	827294790	QUNZSROTKFBTGC-UHFFFAOYSA-N	303.815	1.637	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNC(=S)N[C@H](C)C1CC1)C(C)C	824327283	DKPHXOGSRLSPAY-MWLCHTKSSA-N	315.439	1.116	50	20	DDGD	
CC1(C(=O)NNC(=O)c2ccc3ccccc3n2)CCOCC1	726765625	WHVCGOKEARTQJG-UHFFFAOYSA-N	313.357	1.813	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)Cc1csc(Cc2ccccc2)n1	823970455	HBOBXSKLEQKLIF-LBPRGKRZSA-N	319.430	1.620	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(C(=O)NN(C)[C@H](C)CO)cc1Cl	823917575	KUCJSULIHWEQTR-MRVPVSSYSA-N	301.730	1.514	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCCOC1CCCC1	825821062	FQKXWPHTVBGSPK-WCQYABFASA-N	313.398	1.091	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@H](C)c1ccc(N(C)C)cc1	828958693	BWSHJKYVEHEOCA-GFCCVEGCSA-N	306.410	1.207	50	20	DDGD	
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccc[nH]1	495346569	DRSHCUXPXNZEMO-SECBINFHSA-N	310.354	1.079	50	20	DDGD	
Cc1ncc(C(=O)N2CC[C@@H](B(O)O)C2)c(Cl)c1Cl	585074114	UBJQWXHGKGZLPK-SSDOTTSWSA-N	302.954	1.386	50	20	DDGD	
O=C(c1ccc(SC(F)(F)F)cc1)N1CC[C@@H](B(O)O)C1	585070436	ZYPKJEYTGNZQPD-SECBINFHSA-N	319.113	1.987	50	20	DDGD	
COc1cccc([C@@H](C)NCc2ccc(B(O)O)cc2F)c1	585016980	GTNFHBBXXDREDQ-LLVKDONJSA-N	303.142	1.365	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCC[C@H]1CCCC[C@H]1C	826009763	FZIFELJCIBYIJD-SYQHCUMBSA-N	311.426	1.958	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1ccc(N(C)C)cc1	825601840	DJOLZKLRFHYASD-BXUZGUMPSA-N	320.393	1.008	50	20	DDGD	
Cc1ncc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)s1	826329450	DPFPGHCELPEZSH-UHFFFAOYSA-N	301.335	1.389	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(N(CC)C(C)=O)nc1	824580945	LNIJFVFVWPFXCF-UHFFFAOYSA-N	309.326	1.237	50	20	DDGD	
CC(C)CC[C@@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1	584962242	KKZPDRURZOYPEP-ZDUSSCGKSA-N	321.201	1.794	50	20	DDGD	
C[C@@H](NC(=O)c1ccc(B(O)O)cc1)c1ccc(C2CC2)cc1	585000976	SCPKHMNAUOYLPE-GFCCVEGCSA-N	309.174	1.735	50	20	DDGD	
C[C@H]1CCCN(C(=O)c2cccc(B(O)O)c2)c2ccccc21	584976414	REXBCGRKFSWUTI-ZDUSSCGKSA-N	309.174	1.911	50	20	DDGD	
O=C(/C=C/c1cccc(F)c1)NNc1ccc(-n2ccnc2)nn1	492883531	AWOVPHIMWJVIGY-QPJJXVBHSA-N	324.319	1.958	50	20	DDGD	
C[C@H]1SCC[C@H]1NC(=O)NNc1ccc(-n2ccnc2)nn1	827650110	NNKQZNDLDYZHHG-NXEZZACHSA-N	319.394	1.182	50	20	DDGD	
Cc1nc2cc(C(=O)NCB(O)O)ccc2n1-c1ccccc1	585061066	JXFHRAPAOFWVHR-UHFFFAOYSA-N	309.134	1.076	50	20	DDGD	
CCC(CC)[C@@H]1C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CCO1	584972289	SEDBOAMOOVJXSP-HOTGVXAUSA-N	319.210	1.080	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1c[nH]nc1-c1cccnc1	730423609	ZKOSMHMZLKALMB-UHFFFAOYSA-N	301.350	1.669	50	20	DDGD	
O=C(N[C@@H]1C[C@H]2c3ccccc3CC[C@@H]12)c1ccc(B(O)O)cc1	585008673	LRRNIEZNBKQMOW-FGTMMUONSA-N	321.185	1.215	50	20	DDGD	
Cc1cc(NNC(=O)C2(c3cccc(F)c3)CC2)nc(N)n1	828367478	PVTVORCRZKPLCT-UHFFFAOYSA-N	301.325	1.681	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@]1(C#N)CC12CCCC2	823222196	GRXVMDGILHMVFU-QGZVFWFLSA-N	313.357	1.930	50	20	DDGD	
C[C@H](Cc1ccccc1F)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	825752909	DUCJFCAPBPJXGM-WZRBSPASSA-N	323.368	1.512	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)OC(C)(C)C)c(-c2ccoc2)n1	495961900	UAGRWYGSFMYDDI-UHFFFAOYSA-N	306.322	1.850	50	20	DDGD	
Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CC[C@H](B(O)O)C1	585074982	FATPPZDVBHCCFH-HIFRSBDPSA-N	319.210	1.961	50	20	DDGD	
CCCN1CCC[C@H](C(=O)NNC(=O)Cc2ccccc2F)C1	906628475	RLRFLCNLIWSNRP-AWEZNQCLSA-N	321.396	1.638	50	20	DDGD	
OB(O)c1ccc(CNc2ccccc2CN2CCCC2)cc1	585012714	DBALAJYXQLUKDF-UHFFFAOYSA-N	310.206	1.574	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CCCN2C2CC2)c(F)c1	837206551	NTHLHBJBISSTNJ-AWEZNQCLSA-N	321.352	1.682	50	20	DDGD	
CO[C@H](CC(C)C)CS(=O)(=O)NN(C)C(=O)OC(C)(C)C	496086140	LRPGMQDRCCJZOR-LLVKDONJSA-N	324.443	1.749	50	20	DDGD	
CC1(C)CCC(=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1	735971916	CFSQYZWWYMEWSN-LLVKDONJSA-N	301.412	1.429	50	20	DDGD	
C=CCCC(=O)[C@@H]1CCCN1C(=O)/C(C#N)=C/c1cnn(C)c1	908660772	ONBKJJLONBRPMV-HNRFISLBSA-N	312.373	1.853	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccc2c(c1)-c1ccccc1C2	733360886	HRGHVSTULIQPPS-UHFFFAOYSA-N	309.369	1.580	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(CO)o2)cc1	739412738	GDYMNYAFZSPMNZ-UHFFFAOYSA-N	301.302	1.169	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1	830190030	HNELEYPTDPKISH-RWMBFGLXSA-N	314.426	1.995	50	20	DDGD	
CC(C)NC(=O)NN=C1CCN(Cc2ccccn2)C[C@H]1C	734365949	YWWWGDCAAJVLHU-CYBMUJFWSA-N	303.410	1.987	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)N[C@@H]1CC[C@H](C(N)=O)C1	838726506	AIRFNNZSUGMBGR-VHSXEESVSA-N	310.785	1.929	50	20	DDGD	
COC(=O)c1cc(OC(=O)Cc2cnn(C)c2)ccc1[N+](=O)[O-]	732654545	ZKPZAPIFVZZHRY-UHFFFAOYSA-N	319.273	1.263	50	20	DDGD	
CCOCC(=O)NN=C1C(=O)Nc2c(Cl)cc(Cl)cc21	731152781	UZXHCOLRQKHXDA-UHFFFAOYSA-N	316.144	1.802	50	20	DDGD	
CN(C)c1nccc(CNC(=O)[C@@]2(C)C[C@H]2Br)n1	907221379	CARXHOOWFGMKIP-SKDRFNHKSA-N	313.199	1.332	50	20	DDGD	
CC/C=C\CNC(=O)NNC(=O)c1ccc2c(c1)OCCO2	836573688	RKUSSYSJZQUZRW-ARJAWSKDSA-N	305.334	1.368	50	20	DDGD	
C[C@H](N)C[C@@H](C)NC(=O)NNC(=O)Cc1c[nH]c2ccccc12	831196607	CTFPDRPGDJCHQC-WDEREUQCSA-N	317.393	1.167	50	20	DDGD	
CO[C@@H]1C[C@H](NCC(=O)NNC(=O)c2cccc(C)c2)C1(C)C	831338488	IYLZXXOVUKPDLC-UONOGXRCSA-N	319.405	1.159	50	20	DDGD	
Cc1cnn(-c2c(C(=O)NCC(Cl)Cl)c(C)nn2C)c1	837646234	OCEQETYJJGMZDY-UHFFFAOYSA-N	316.192	1.756	50	20	DDGD	
CC[C@@H](C)[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)C(F)(F)F	584981585	FBOASGYLCCBASS-HQJQHLMTSA-N	321.079	1.212	50	20	DDGD	
COc1c([N+](=O)[O-])ccc(C=NNC(=O)[C@H]2CCCCO2)c1O	834987041	SGGWZNAYEHVYQT-LLVKDONJSA-N	323.305	1.328	50	20	DDGD	
O=C(CN1CCC(c2ccccc2)CC1)NNC(=O)C1CC1	733193160	GDVLVQZHUGUMNB-UHFFFAOYSA-N	301.390	1.423	50	20	DDGD	
Cc1noc(OCC(=O)/C(C#N)=C2\Nc3ccccc3N2C)n1	730730947	CEQPTACJVXHWMA-GXDHUFHOSA-N	311.301	1.623	50	20	DDGD	
CCOc1nc2sccn2c1C=NNC(=O)[C@H]1CCCCO1	834987340	VQJSFPXJSBNJNZ-LLVKDONJSA-N	322.390	1.814	50	20	DDGD	
COC(=O)COc1ccc(NC(=O)NNC(=O)O)cc1Cl	831184388	CGJLBYIUOQAAQV-UHFFFAOYSA-N	317.685	1.196	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2	837476017	VIRLPRDIMSZOLH-IACUBPJLSA-N	300.358	1.300	50	20	DDGD	
COCCN(C)NC(=O)/C=C/c1ccc(OCCN(C)C)cc1	837625572	QEFJYFLDBMFAIG-JXMROGBWSA-N	321.421	1.250	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NN=Cc1ccccc1O	734303993	NZXNCMLEJJOADK-UHFFFAOYSA-N	322.365	1.550	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cc(-c2ccco2)[nH]n1	918366419	NOFFHISJXVSJHO-UHFFFAOYSA-N	302.212	1.383	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(Br)cc(C=O)c1	910184841	WTRGZZHDBAQSBG-QMMMGPOBSA-N	315.167	1.219	50	20	DDGD	
COc1cc(C(N)=O)ccc1NC(=O)NNC(=O)C1CCCC1	836772055	CHZSSTWOGCKZER-UHFFFAOYSA-N	320.349	1.137	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)N[C@@H](C)C[C@@H](C)N)cc1	831197163	JPXNQGANAIBTEZ-NEPJUHHUSA-N	324.450	1.543	50	20	DDGD	
CCc1nc(C=NNC(=O)[C@H]2CCCCO2)c2ccccn12	834987687	ZWOFFPDPZHLUTQ-CQSZACIVSA-N	300.362	1.916	50	20	DDGD	
O=C(CNC(=O)c1ccc(O)cc1)NNc1ccccc1F	749260967	WZKLYRGMYVMAML-UHFFFAOYSA-N	303.293	1.404	50	20	DDGD	
C[S@@](=O)c1ccc(C(=O)NNC(=O)CC(F)(F)F)cc1	918703617	DOCXQYGDYTUGIC-HXUWFJFHSA-N	308.281	1.137	50	20	DDGD	
CCS(=O)(=O)CCCNC(=O)[C@]1(C)C[C@@H]1Br	910543694	VREZRWMHZZNXHR-WCBMZHEXSA-N	312.229	1.101	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)/C=C/c1ccccc1OC(F)(F)F	910169898	HFCDQZBFASZMOA-QROSGCPLSA-N	318.295	1.942	50	20	DDGD	
COc1ccc(C(=O)NN(C)C[C@H](C)O)cc1-c1ccccn1	910160113	FRHZJYSFXAIAMA-LBPRGKRZSA-N	315.373	1.715	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2Cc3ccccc3NC2=O)C[C@H]1Br	913157774	OXAGYDKJFDVTFR-GYSYKLTISA-N	323.190	1.840	50	20	DDGD	
O=C(NN=C1CCN(CC(F)(F)F)CC1)c1ccncc1	915932966	FOYDKZAYHLENFE-UHFFFAOYSA-N	300.284	1.826	50	20	DDGD	
CCc1n[nH]cc1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	917918945	IAUQWSXOIVKQAC-VIFPVBQESA-N	320.324	1.340	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc2ccncc2c1	845421576	FGBKHMRHRJKKOO-JTQLQIEISA-N	315.329	1.338	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CSc1ccccc1O)[C@@H](C)O	842240149	OGXQUTHPSFQTOC-NXEZZACHSA-N	312.391	1.039	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@H](C(=O)OC(C)(C)C)C1CCCC1	910140222	XJHMFROGTNPAKO-DGCLKSJQSA-N	314.426	1.478	50	20	DDGD	
C[C@@H]1C(=NNC(=O)c2ncccn2)CC[C@@H](C(=O)O)C1(C)C	841665233	JATISGVMBALIJI-ZJUUUORDSA-N	304.350	1.719	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1ccc(Cn2ccnc2)cc1	915056627	WISYXTUYOPFFGK-UHFFFAOYSA-N	321.340	1.401	50	20	DDGD	
N#CSCCCNS(=O)(=O)c1cnn(C2CCCC2)c1	917008094	XFRRBXPTADXANZ-UHFFFAOYSA-N	314.436	1.881	50	20	DDGD	
Cc1nnc(NNC(=O)c2cc(Cl)nc(C3CC3)c2)nc1O	848367826	MZQQVWQSCWWZKB-UHFFFAOYSA-N	320.740	1.568	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@H]1CCSc2ccccc21	742058267	VRVWPGSLIGPGGC-LBPRGKRZSA-N	321.402	1.339	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cccc(-c2cnn(C)c2)c1	741681721	UFYVTEPZBPSPIB-UHFFFAOYSA-N	301.350	1.440	50	20	DDGD	
CN1C[C@H](C(=O)NNC(=O)c2ccc3ccccc3c2)CC1=O	918621716	FMNRQDSWNPGJTM-CQSZACIVSA-N	311.341	1.079	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C1CCCn2ccnc21	848400405	IUOCAUZJDNEFIY-UHFFFAOYSA-N	314.345	1.585	50	20	DDGD	
Cc1cc(C)cc(OCCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	843647005	XOFLSWRNRMJIRM-DZGCQCFKSA-N	320.389	1.645	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)c1cc2c(s1)CCC2	742473482	AHPUZBXCZGKXBB-UHFFFAOYSA-N	308.403	1.981	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc(F)ccc2[N+](=O)[O-])n1	745491383	MPLYZIITNJIPSU-UHFFFAOYSA-N	305.269	1.898	50	20	DDGD	
Cc1ccc2ncccc2c1S(=O)(=O)NNC(=O)C(C)(C)C	748640954	YHYFDQDOKGTYAX-UHFFFAOYSA-N	321.402	1.899	50	20	DDGD	
O=C(NCCCNC1CC1)NNC(=O)c1cc2c(s1)CCC2	841918057	ACHOLORGYYJWTB-UHFFFAOYSA-N	322.434	1.323	50	20	DDGD	
C=CCNC(=S)NNC(=O)C[C@@H](C)N1CCc2ccccc21	847285744	UAKDXHVWDLUVSU-GFCCVEGCSA-N	318.446	1.509	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCc3cnc(C)n3C2)o1	845738050	LNXYRMZEWGRFBZ-LLVKDONJSA-N	302.334	1.117	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccccc1OCC1CC1	843646911	KXYFRMHWYAJNAB-WCQYABFASA-N	318.373	1.661	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)C2CC3(CCC3)C2)C[C@H](C)O1	844129289	NHAMYYBSRBHPTB-STQMWFEESA-N	323.437	1.213	50	20	DDGD	
COc1ccc(CCNC(=S)NNC(=O)C(C)(C)C)cc1	916012560	NPENUOGBZDLMOU-UHFFFAOYSA-N	309.435	1.779	50	20	DDGD	
CC(=NNC(=O)c1csc(N2CCOCC2)n1)[C@@H]1CCOC1	741756929	SZGWXBXUCIBZDG-LLVKDONJSA-N	324.406	1.122	50	20	DDGD	
C=C[C@@H](C)ONC(=O)NNC(=O)COc1ccccc1CC	845640447	XHLLIUWZBQUJPB-LLVKDONJSA-N	307.350	1.464	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CCc1ccccc1O)C(F)(F)F	743338972	SVXUJUNOGVNFDS-MRVPVSSYSA-N	304.268	1.671	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H](C)[C@@](C)(OC)C2CC2)n1	841589266	GBYIUTIPPFCKGR-MEBBXXQBSA-N	308.382	1.920	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(C(F)(F)F)[nH]1	843971055	OJPDJDWSTKPQAT-RNFRBKRXSA-N	305.256	1.220	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCC[S@](=O)C(C)(C)C	741413079	OTRVEANDRBRPGZ-FQEVSTJZSA-N	307.416	1.273	50	20	DDGD	
CC[C@H](C(=O)NNc1cccc(Br)n1)[C@@H](C)O	842264663	BIBDLXPFQDJYHP-SFYZADRCSA-N	302.172	1.694	50	20	DDGD	
CCn1cncc1C=NNC(=O)Cn1c(C)nc2ccccc21	841609188	OJBYSWJRRSHYNC-UHFFFAOYSA-N	310.361	1.711	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNC(=O)COCc1ccccc1	841124269	JKLDTPRQZRCNMC-AWEZNQCLSA-N	308.378	1.412	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H]2CCC(=O)C2)c1	843752982	GYKUZICIPXBJEA-LBPRGKRZSA-N	304.346	1.199	50	20	DDGD	
C[C@@H](N)CNC(=O)NNC(=O)Nc1ccc(Cl)cc1Cl	841988419	RCXNTKRPSBVDFP-ZCFIWIBFSA-N	320.180	1.676	50	20	DDGD	
C[C@@H]1COC[C@H]1NC(=O)NNC(=O)c1ccc2ccccc2n1	925987516	JXKKUQSZFPOOFV-QMTHXVAHSA-N	314.345	1.214	50	20	DDGD	
C[C@H]1CN(C2CC2)CC1=NNC(=O)CCCNC(=O)C(C)(C)C	853407617	SFBUEJVWEREBEA-LBPRGKRZSA-N	322.453	1.515	50	20	DDGD	
CN1CC[C@H](C(=O)NNC(=O)C2CCCC2)c2ccccc21	750720928	SOFANNMGTRAZTJ-AWEZNQCLSA-N	301.390	1.948	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C(F)F)cc1Br	753673513	LFUJJBACQUAGCP-UHFFFAOYSA-N	323.093	1.484	50	20	DDGD	
COc1ccnc(NNC(=O)c2cccc(OC(C)C)n2)n1	755164054	WLVNNQBURLDTAU-UHFFFAOYSA-N	303.322	1.424	50	20	DDGD	
CCN(C(=O)CNC(=O)NNC(=O)CC(C)C)c1ccccc1	924633193	OHDOBPGMCWZXRW-UHFFFAOYSA-N	320.393	1.416	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCSC[C@H](C)C1	753837250	JPRLGMLUMZIVHD-NEPJUHHUSA-N	301.456	1.253	50	20	DDGD	
Cc1ccc(NNC(=O)NCCOC[C@H]2CCOC2)cc1F	853710930	FIGCUKLCJHIGIE-LBPRGKRZSA-N	311.357	1.813	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)c1ncccn1)C1CCCCC1	852385170	LLKDJUZKQKLSKI-LBPRGKRZSA-N	321.381	1.016	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1c(N)cccc1[N+](=O)[O-])C1CC1	855098587	JPBPYCSQERZAFT-SSDOTTSWSA-N	323.378	1.084	50	20	DDGD	
Cc1ccc2c(c1)CCC2=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	853387545	DGVZQUQWQFMUTE-PBHICJAKSA-N	313.401	1.625	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H]1CCCc2ccc(OC)cc21	854928558	DVKITDBATRKTQQ-LBPRGKRZSA-N	307.419	1.582	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)NCCN1CCNC1=O	924047799	ZEGSPOYPDMXRPN-UHFFFAOYSA-N	311.773	1.300	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccccc1CN1CCOCC1	756112330	DCIRONLIPMIFLP-UHFFFAOYSA-N	306.366	1.082	50	20	DDGD	
CCO[C@@H]1COCC[C@H]1NC(=O)NNC(=O)c1ccccc1C	759212361	XNQUCVHAYJOFPD-ZIAGYGMSSA-N	321.377	1.133	50	20	DDGD	
CN(C)C(=O)OCCNC(=O)/C(C#N)=C/c1ccc(F)cc1	855651990	VULJNYBCHYRRRR-FMIVXFBMSA-N	305.309	1.547	50	20	DDGD	
CN(C)CCC(=O)NNC(=S)NC12CC3CC(CC(C3)C1)C2	750978057	SQLGBYTWXULXKK-UHFFFAOYSA-N	324.494	1.402	50	20	DDGD	
Cc1cc(NNC(=O)c2cnc3n2CCCCC3)nc(C)n1	857130559	KJILTSHPVWKAOS-UHFFFAOYSA-N	300.366	1.773	50	20	DDGD	
C[C@]1(CN2C(=O)N[C@@H](c3cccnc3)C2=O)C[C@H]1Br	857227487	OEOUIPMJSWVLPK-GBIKHYSHSA-N	324.178	1.848	50	20	DDGD	
Cc1ccc(C(=O)N(C)C)cc1NC(=O)NNC(=O)CC(C)C	755890533	OXCIATYFZSQXGL-UHFFFAOYSA-N	320.393	1.896	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)OCC(F)(F)F)cc1[N+](=O)[O-]	856026895	QMXCNBPOJSLKQC-UHFFFAOYSA-N	321.211	1.837	50	20	DDGD	
CN1CCC[C@@H]1CNC(=O)NC[C@]1(C)C[C@H]1Br	856838783	IJDDRKAFVCFVOP-FOGDFJRCSA-N	304.232	1.553	50	20	DDGD	
C#C[C@@](C)(CC)NCC(=O)NNC(=O)c1ccccc1Cl	852100967	LSQGMFHBIJZYMO-HNNXBMFYSA-N	307.781	1.493	50	20	DDGD	
N#CCc1cccc(C(=O)NNC(=S)NCC2CCC2)c1	855092119	QXMZZOMYDYGSNP-UHFFFAOYSA-N	302.403	1.662	50	20	DDGD	
C[C@H](C(=O)NNC(=O)OCC(F)(F)F)C(=O)OC(C)(C)C	856025857	CKPHEBIOCDTAEJ-ZCFIWIBFSA-N	314.260	1.284	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CCC(=O)NNc1ccnc(Cl)c1	855468831	JOXBFLMZKPXUEM-UHFFFAOYSA-N	324.728	1.682	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cc2ccccc2o1)[C@@H]1CCC(=O)N1	859908275	FASXXMXSJIHPEL-KOLCDFICSA-N	315.329	1.109	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)c2cncc(F)c2)C[C@@H]1Br	856756553	QRJSLYOOLKJBOK-UWVGGRQHSA-N	323.187	1.673	50	20	DDGD	
Cc1sc(NC(=O)C(=O)NNC(=O)C2CC2)nc1C(C)C	850410827	XAAGOSWTCOLLIK-UHFFFAOYSA-N	310.379	1.071	50	20	DDGD	
Cc1ccn(CC(=O)NC[C@]2(C)C[C@H]2Br)c(=O)c1	857392156	YZPQZENQTXZYEY-MFKMUULPSA-N	313.195	1.446	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCOC(F)(F)F)c1	858385142	KHYFAJZYGAGACB-UHFFFAOYSA-N	311.285	1.537	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cc2ccc3c(c2)COC3)cc1	755195901	PBHQSXLTFVJRHM-UHFFFAOYSA-N	321.336	1.592	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2c[nH]c(C(N)=O)c2)cc1Cl	753319403	ZNJZZKXOTWTZHL-UHFFFAOYSA-N	303.709	1.396	50	20	DDGD	
CCc1noc(CCCC(=O)NNc2ncc(Cl)cn2)n1	857355676	ITKGQVUGNKDMJE-UHFFFAOYSA-N	310.745	1.541	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cncnc1C1CC1)C1CC1	855094662	DCQWUCNVOVESHR-MRVPVSSYSA-N	305.407	1.261	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(N(C)C(C)=O)cc1	930008480	JYWXOHMEGUOUBC-UHFFFAOYSA-N	316.361	1.626	50	20	DDGD	
CCOC(=O)N1CSC[C@@H]1C(=O)NNc1ncccc1C	935615215	CFTCPXLXIOWXTF-SNVBAGLBSA-N	310.379	1.365	50	20	DDGD	
COc1cccc(C[C@@H](C)CC(=O)NNC(=O)NC2CC2)c1	930720064	LHQXOAFKAFDOEN-LLVKDONJSA-N	305.378	1.757	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2ccc(C)c(F)c2)n(C)n1	850704448	CQLITXMSNKWHKK-UHFFFAOYSA-N	319.340	1.512	50	20	DDGD	
Cc1ccc(NNC(=O)CS(=O)(=O)C2CCCC2)cc1F	856231292	WDPLTWLRLLZPNF-UHFFFAOYSA-N	314.382	1.935	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@@]1(C)CCOC1	754345858	KKZDZMPJVJMQCT-AWEZNQCLSA-N	312.753	1.536	50	20	DDGD	
Cc1[nH]nc(C(F)(F)F)c1C(=O)NN[C@H](C)C(F)(F)F	862311842	UWYYZSUCUBCSGI-SCSAIBSYSA-N	304.194	1.922	50	20	DDGD	
Cc1cc(C(=O)NN[C@H](C)C(F)(F)F)ccc1-n1cnnn1	862306665	COHYNFDJDQTLFO-MRVPVSSYSA-N	314.271	1.156	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H](F)CC2CCCCC2)n[nH]1	869014727	BVCMFTVVLQBAIN-CYBMUJFWSA-N	310.373	1.717	50	20	DDGD	
O=C(Cc1csc2nccn12)NNc1nc2ccccc2[nH]1	768496975	URHUNESURVXFPU-UHFFFAOYSA-N	312.358	1.958	50	20	DDGD	
COc1cc(C)ccc1NC(=O)C(=O)NNC(=O)CC(C)C	763880999	CNTDBGGHGPJKKH-UHFFFAOYSA-N	307.350	1.136	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCN(c2cccc(F)c2)CC1	868230631	JTGLUAVXDFIPEF-UHFFFAOYSA-N	322.384	1.735	50	20	DDGD	
C=C(C)COCCNC(=O)NNC(=O)C(C)(C)c1ccccc1	762069260	PHIMQEIKLVTSGV-UHFFFAOYSA-N	319.405	1.887	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cccc(COC(C)C)c1	763440475	GZRMZBSPIUDKMG-UHFFFAOYSA-N	307.350	1.108	50	20	DDGD	
CC(C)(C)[C@@H](O)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	764604534	LSEWMXVAPQCJKT-AWEZNQCLSA-N	303.362	1.265	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)NC)c(OCCC)c1	760144276	AVUKEOZIEGLGLD-UHFFFAOYSA-N	309.366	1.838	50	20	DDGD	
C[C@@H](NNC(=O)[C@H]1CCCN1Cc1ccccn1)C(F)(F)F	862313129	CNYXKCADKFVIBG-ZYHUDNBSSA-N	316.327	1.618	50	20	DDGD	
CCOC(=O)CCSCC(=O)NNC(=O)c1cccs1	865378467	RAAWLUCEKHFYRU-UHFFFAOYSA-N	316.404	1.196	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2=C(C)OCCS2)cc1	1117331606	WTSLEOLSVDLXRJ-UHFFFAOYSA-N	308.359	1.451	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)C1(CN(C)C)CC1	873770742	WUDMJSBDUQWOSX-UHFFFAOYSA-N	322.434	1.355	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)NCCOCC(=O)O	874409255	XYQBMLBWQJMZRO-UHFFFAOYSA-N	309.366	1.846	50	20	DDGD	
N#CC1=CCN(CC(=O)NCCOc2cccc(Cl)c2)CC1	779587216	JXQLJEYOXUFSLV-UHFFFAOYSA-N	319.792	1.991	50	20	DDGD	
COC(=O)C(=O)NN=C1CCc2[nH]c3ccc(OC)cc3c2C1	1116533225	MAQZRGOVQQVHHE-UHFFFAOYSA-N	315.329	1.310	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)NNc2nccnc2C(C)C)C1	772845702	WBFLETYXPYJPSV-HNNXBMFYSA-N	305.382	1.302	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2CCCN2C)cc1C	873763695	GVKVBZAGHNOPQA-ZDUSSCGKSA-N	306.435	1.715	50	20	DDGD	
O=C(NNc1ccc(F)cn1)[C@H]1CCN(CC(F)(F)F)C1	874648321	LUPMBJQOYMLJDN-QMMMGPOBSA-N	306.263	1.548	50	20	DDGD	
CC[C@H](Cc1cccc(C)c1)C(=O)NNC(=O)NCCCOC	874194413	MUTVRGBSBKOOCC-OAHLLOKOSA-N	321.421	1.931	50	20	DDGD	
CC(C)c1cc(NC(=O)C(=O)NNc2ccc(C#N)cc2)no1	773700533	MLFQJZVWZMJGBG-UHFFFAOYSA-N	313.317	1.751	50	20	DDGD	
CC(C)CO[C@H](C)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	772019595	HKUQERAOLIISOG-VXGBXAGGSA-N	316.398	1.173	50	20	DDGD	
Cn1nccc1NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	775752036	AGZUBJBFWVJGON-UHFFFAOYSA-N	317.393	1.789	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NNC(=O)CNC(=O)c2cccs2)C1	776317526	UCXWXZRTUOOING-ZJUUUORDSA-N	309.391	1.062	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)C(=O)Nc1cscc1Cl	873803764	SVMHGBXFQASYJQ-UHFFFAOYSA-N	315.782	1.678	50	20	DDGD	
N#CSCCCNC(=O)c1cccc(N2CCOC2=O)c1	773584932	KKHNPXBANKMRCI-UHFFFAOYSA-N	305.359	1.977	50	20	DDGD	
O=C(CO)NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)s1	776783208	ZWYQWOOHIHQMJG-UHFFFAOYSA-N	305.315	1.766	50	20	DDGD	
Cc1nn(C)c(NC(=O)NNC(=O)C2CC2)c1Br	879700481	INLFNIYABSJHFW-UHFFFAOYSA-N	316.159	1.054	50	20	DDGD	
CO[C@@](C)(CNC(=O)NN=c1cc[nH]c(C)c1)c1ccccc1	875640294	TVSFEOMKQAGNNE-KRWDZBQOSA-N	314.389	2.000	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)N[C@@H]2CC23CCC3)c1	873257663	WEIHQEJPTKVCTJ-CYBMUJFWSA-N	302.378	1.639	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1F)[C@H]1CCc2nncn2C1	871271765	YITBFBOFFWCYSO-QMMMGPOBSA-N	309.732	1.776	50	20	DDGD	
C[C@@H](CC(=O)OC(C)(C)C)NC(=O)NNC(=O)CC(C)(C)C	1116018192	CALLQFTWJLUCQZ-JTQLQIEISA-N	315.414	1.873	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H]1CCN(c2ccccc2F)C1	875611321	JBAVAVHHBJWZRO-LLVKDONJSA-N	324.356	1.564	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)Sc1nc2cncnc2[nH]1	775232047	HJBIDIXQPGCKRF-QMMMGPOBSA-N	322.394	1.027	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)c2cc(C)[nH]n2)c1F	771270709	MZMQIWNCXBJUIV-UHFFFAOYSA-N	307.285	1.332	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(Cl)nc1C	772212503	PUSJWGSFBFTVOP-MRVPVSSYSA-N	313.741	1.146	50	20	DDGD	
O=C(NNc1ccccc1Br)C1(O)CCOCC1	773456785	WVWJUTYGMMLDSF-UHFFFAOYSA-N	315.167	1.434	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC[C@]2(C1)OCc1ccccc12	770676975	SKMHCHGJEOABCN-SJKOYZFVSA-N	317.389	1.064	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)[C@H]1CCS(=O)(=O)C1	777465023	XIWXSPAOUXJAHT-NSHDSACASA-N	305.359	1.113	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H]1CCN2CCC[C@@H]2C1	884957478	QZGUTTCXAQTBCY-VXGBXAGGSA-N	308.875	1.798	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1c(C)noc1C(F)F	772166027	OUOOOIFXGDYETH-ZCFIWIBFSA-N	319.264	1.023	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NO[C@H]1CCCCO1	776227647	KQOKEHAHRTYLCY-HNNXBMFYSA-N	321.377	1.798	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(Cl)cc1F)N1C(=O)CCC1=O	885109841	GHYOZDYKLUPTRC-SSDOTTSWSA-N	313.716	1.460	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1coc2ccccc12	772131239	DRMGYKJIUXYRGO-VIFPVBQESA-N	304.302	1.536	50	20	DDGD	
CC(C)(C)N1C[C@H](CNS(=O)(=O)CCCCl)CC1=O	882414925	USFXIJACLXUTFM-JTQLQIEISA-N	310.847	1.182	50	20	DDGD	
CCC[C@H](C(=O)OCC)S(=O)(=O)NCCSSC	882167809	AAXDSZYLIRPXDX-SECBINFHSA-N	315.482	1.649	50	20	DDGD	
O=S(=O)(CCCCl)N1CCC[C@H]1[C@@H](O)C(F)(F)F	881918432	AKWXCACLJOHUEV-JGVFFNPUSA-N	309.737	1.333	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc(Cl)c1C	787080987	VVEIKVCKHSIGMI-VIFPVBQESA-N	312.753	1.751	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc3c(c2)nc(O)n3C)n1	780769345	FWGQRMSDWSLACJ-UHFFFAOYSA-N	313.317	1.439	50	20	DDGD	
COC(=O)CNC(=O)NN=C/C(C)=C/c1cccc([N+](=O)[O-])c1	787161786	GJELJAUWNVMUKF-OBYUWFSBSA-N	320.305	1.456	50	20	DDGD	
O=C(NNC(=O)c1cc(O)ccc1Cl)c1ccccc1O	788265088	IKHABGHPDDFWGO-UHFFFAOYSA-N	306.705	1.826	50	20	DDGD	
O=C(CCc1ccc2[nH]ccc2c1)NNC(=O)C1CCOCC1	883067841	XSOWECGAZVOKLW-UHFFFAOYSA-N	315.373	1.675	50	20	DDGD	
CN(NC(=O)C(=O)Nc1cnn(C(C)(C)C)c1)c1ccccc1	783434535	QPCGLYGLVHAKGJ-UHFFFAOYSA-N	315.377	1.744	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1c[nH]cc1-c1ccccc1F	787572783	YKDOUEFLJJONDO-UHFFFAOYSA-N	305.309	1.353	50	20	DDGD	
Cn1ccc(CC(=O)NNC(=O)C(C)(C)c2ccccc2)n1	782275421	GXJZRPYJRSDGQV-UHFFFAOYSA-N	300.362	1.088	50	20	DDGD	
Cc1cccc(NC(=O)NCC(=O)NNc2ccnc(F)c2)c1	781363390	AJIZBAWEYRGFSD-UHFFFAOYSA-N	317.324	1.794	50	20	DDGD	
O=C(NN=C1COCc2ccccc21)[C@@H]1COc2ccccc2O1	782113528	BTLLZORSUVNFGG-KRWDZBQOSA-N	324.336	1.877	50	20	DDGD	
CCOC(=O)C1(CC(=O)NNC(=O)NCc2ccco2)CCC1	789173937	XXLAAEKKGHVCRU-UHFFFAOYSA-N	323.349	1.234	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc([N+](=O)[O-])ccc2N)n1	787108421	ZCWMHHZVRNBRSL-UHFFFAOYSA-N	318.293	1.041	50	20	DDGD	
C[C@@H]1COc2ccccc2CN1CC(=O)NNC(=O)C(C)(C)C	782520929	UBHOGOQAECBDPD-GFCCVEGCSA-N	319.405	1.463	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1sccc1-n1ccnn1	899998900	YFOVGILGIGLVQK-UHFFFAOYSA-N	324.435	1.236	50	20	DDGD	
C/C(=C(/F)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1)C1CC1	899975079	LRDNPEVCYZGUPF-RAXLEYEMSA-N	319.336	1.734	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)Cc1cc(C(C)(C)C)on1	795297492	OKDVFTFIWXSLLV-UHFFFAOYSA-N	317.411	1.469	50	20	DDGD	
Cc1c(CNC(=O)NNC(=O)C(C)(C)C)cccc1[N+](=O)[O-]	790565583	ZRMAXRJFXLJMBO-UHFFFAOYSA-N	308.338	1.780	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1c[nH]nc1-c1ccoc1	790722943	COHDGMARNLRCNL-UHFFFAOYSA-N	304.697	1.870	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@](C)(O)Cc2ccccc2)n1	794084936	XRLKMWYMXBZCTH-QGZVFWFLSA-N	313.357	1.145	50	20	DDGD	
O=C(C[C@@H]1CCCOC1)NNC(=O)c1ccc(Cl)cc1O	794992415	XZLSPUYBUXFJME-VIFPVBQESA-N	312.753	1.623	50	20	DDGD	
Cc1oc(C#N)cc1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	797884911	BCODRNCMKABEOG-JTQLQIEISA-N	321.333	1.199	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCO2)Nc1cncc(F)c1	799235179	UUERCGZDPOWZQZ-UHFFFAOYSA-N	318.264	1.416	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2cn(C)nc2-c2cccnc2)n1	794567326	NALSMAZGTNBXAA-UHFFFAOYSA-N	320.356	1.949	50	20	DDGD	
CCc1occc1C(=O)NNC(=O)CNc1ccc(OC)cc1	798106967	YIELUWVASHFWCB-UHFFFAOYSA-N	317.345	1.724	50	20	DDGD	
COc1c(C(=O)NNc2cccc(F)c2[N+](=O)[O-])c(C)nn1C	791147815	LJYKTOFEPNYUHV-UHFFFAOYSA-N	323.284	1.541	50	20	DDGD	
NC(=O)COC1CCN(C[C@H](CBr)C2CC2)CC1	1331556487	WFJLPCNDWVIGHV-NSHDSACASA-N	319.243	1.374	50	20	DDGD	
Cc1cc2c(cc1C)O[C@@H](C(=O)NNC(=S)NC(C)C)C2	1318733907	ITSPRGGHWBXIHJ-CYBMUJFWSA-N	307.419	1.511	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)c1cncn1-c1ccccc1	1319730736	ZSUFNZLEUHGARO-UHFFFAOYSA-N	322.372	1.932	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H](C)N1CCc2ccccc21	1321711551	CFRAVMKULSNTEY-NSHDSACASA-N	306.435	1.341	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1ccc2nncn2c1	1324990356	UCMJCEACTFZVPS-UHFFFAOYSA-N	320.312	1.328	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ncoc1[C@H]1CCCO1	1326979881	YQPKANAVSOJJNQ-ZCFIWIBFSA-N	322.243	1.032	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ccc(C(C)(C)C)nn2)no1	1320607004	NQEWPWBZCDOYOI-UHFFFAOYSA-N	318.337	1.152	50	20	DDGD	
CC1=CCCN(C(=O)C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	1329559794	YFXIPBBVDZIEEC-GXFFZTMASA-N	315.211	1.455	50	20	DDGD	
Cc1cnc(Cl)c(NC(=O)C(=O)NNc2cc(C)ncn2)c1	1255588753	SZIKTVIQYKLYDB-UHFFFAOYSA-N	320.740	1.224	50	20	DDGD	
CCCN(CCC)C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1331374636	MHAGSCXPYIEGOL-GXFFZTMASA-N	319.243	1.925	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@@H]2CCCCS2)cc1	1337695856	UHPHUKPCGGMHMZ-ZDUSSCGKSA-N	323.418	1.925	50	20	DDGD	
CC(CN1Cc2ccccc2C1=O)=NNC(=O)C1CCOCC1	1331995304	VXHQFHKXXSHNNP-UHFFFAOYSA-N	315.373	1.561	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccn(-c2ccncc2)n1	1255933219	HDEBFGJVDDQCAG-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccnc(OC2CCC2)c1	1332674346	NPRSIZQEMHUGJI-UHFFFAOYSA-N	319.361	1.201	50	20	DDGD	
CC(C)(CN)CC(=O)NNc1ncc(Br)cn1	1340703783	IDFWSMWHPDQRMJ-UHFFFAOYSA-N	302.176	1.057	50	20	DDGD	
CN(C)[C@H]1CCCC[C@H]1NC(=O)NNc1ncc(Cl)cn1	1347929648	YHQCURQPCLNLSA-MNOVXSKESA-N	312.805	1.629	50	20	DDGD	
O=C1C[C@H](N(C(=O)c2cccc(CCl)c2)C2CC2)C(=O)N1	1262606648	YMGKCCYXKLXRTD-LBPRGKRZSA-N	306.749	1.445	50	20	DDGD	
COC(=O)[C@H](C)n1cccc1C=NNC(=O)C1CCOCC1	1349840353	WHEXXCAJULGNGA-NSHDSACASA-N	307.350	1.099	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCc1ccc(OC)cc1OC	1349253237	SIZSEXOROCWBMF-UHFFFAOYSA-N	311.338	1.159	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2ccc3c(O)ncnc3c2)c1	1602449971	FSPZYJJVLCBSNZ-UHFFFAOYSA-N	324.296	1.791	50	20	DDGD	
Cn1c(C(=O)O)ccc1C(=O)NNc1cnc2ccccc2n1	1600903801	MCFXPQRCEJXZRA-UHFFFAOYSA-N	311.301	1.423	50	20	DDGD	
Cc1c(NNC(=O)/C=C\c2cncc(O)c2)cccc1C(=O)O	1600052261	GDLOVPCFUTXDJL-WAYWQWQTSA-N	313.313	1.950	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc(CC(=O)O)c(F)c1	1603761814	PBGNIKXDIWPKPZ-UHFFFAOYSA-N	311.313	1.652	50	20	DDGD	
O=C(O)CCOc1ccc(NC(=O)NNC(=O)C2CCC2)cc1	1608731464	WLGNKCAJWNRQTB-UHFFFAOYSA-N	321.333	1.493	50	20	DDGD	
CCn1nc(C2CC2)cc1C(=O)NNc1ncccc1C(=O)O	1604022425	ROZNVDQTQWPEII-UHFFFAOYSA-N	315.333	1.631	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1c(F)ccnc1Cl	1606528647	NZEKQROBPGPKSK-UHFFFAOYSA-N	310.672	1.724	50	20	DDGD	
CC(CC(C)(C)CC(=O)O)=NNC(=O)CNC(=O)c1ccco1	1604123895	NVUANUUKEZICBG-UHFFFAOYSA-N	323.349	1.393	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=CC[C@@H](C)C(=O)O	1605714212	IZYQQSQUXSEHAO-LLVKDONJSA-N	308.334	1.677	50	20	DDGD	
COc1cc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)sn1	1605196662	JWJNIDNAWIYSHA-UHFFFAOYSA-N	317.334	1.089	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)c1n[nH]cc1C(F)(F)F	1602472271	XICZYDFCSRMPOR-UHFFFAOYSA-N	314.223	1.884	50	20	DDGD	
O=C(O)[C@@H]1CCN1C(=O)[C@@]1(c2ccccc2)C[C@@H]1Br	1601833977	OSCRGIDUXDJHLA-COPLHBTASA-N	324.174	1.777	50	20	DDGD	
COC[C@H](C)C(C)=NNC(=O)[C@H]1CCCO[C@H]1c1ccnn1C	1549322638	ZXUZUPUZFVDMGO-CORIIIEPSA-N	322.409	1.662	50	20	DDGD	
Cn1ncc(C=NNC(=O)[C@H]2CCCO[C@H]2c2ccccc2)n1	1549082345	CLJROUAOWGEEIB-GJZGRUSLSA-N	313.361	1.433	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)c1c[nH]nc1-c1ccncc1	1610852043	BXMHRQWSXCIXMJ-UHFFFAOYSA-N	323.312	1.927	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C=NNC(=O)c1cccnn1	1552925079	GGVOEFDVQNEZHL-WCQYABFASA-N	314.349	1.094	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@@H]1C=NNC(=O)c1ncccn1	1552763523	VYVUFBSUVCXEEP-VXGBXAGGSA-N	314.349	1.186	50	20	DDGD	
CC1(C)CN[C@@H]1C(=O)NNC(=S)Nc1cccc(Cl)c1	1573613935	AANARXKVWYVHEQ-SNVBAGLBSA-N	312.826	1.656	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1C[C@@H](F)CN1	1574333376	DQGQWIYPAZURPM-VXNVDRBHSA-N	302.693	1.391	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCNC1)c1ccc(-c2ccccc2)o1	1580732460	DCVULOXBNRSWBD-ZDUSSCGKSA-N	313.357	1.707	50	20	DDGD	
COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)CC(C)C)C2	1846361205	FKFWWGUKDSKQGX-LBPRGKRZSA-N	316.829	1.490	50	20	DDGD	
CSSCCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1	1591701771	JMRLEKJCKQLRKV-UHFFFAOYSA-N	313.368	1.593	50	20	DDGD	
N#C[C@]1(C(=O)NNc2ncccc2C(=O)O)CC12CCCC2	1594600942	DGQDHMNNHBJOCH-HNNXBMFYSA-N	300.318	1.697	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C(C)(C)C)c1ncc(C(=O)O)s1	1593101357	DEJBTLIXVBBAAZ-LURJTMIESA-N	314.367	1.279	50	20	DDGD	
CN(NC(=O)c1cccc(F)c1-c1nn[nH]n1)c1ccccn1	1591154493	UEBJJUXPULUDQP-UHFFFAOYSA-N	313.296	1.182	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1ccc(C(=O)O)c(OC)c1	1776129442	JDZSCMJOBBZJIX-XYOKQWHBSA-N	318.329	1.453	50	20	DDGD	
CC(=NNC(=O)c1ccc(C(=O)O)cc1)c1cnn(C)c1C	1776100111	RBDDSINZAMZUGY-UHFFFAOYSA-N	300.318	1.581	50	20	DDGD	
Cc1nc(C)c(C=NNC(=O)c2ccc(C(=O)O)cc2)nc1C	1776101628	RAUFOORRIUFKGQ-UHFFFAOYSA-N	312.329	1.864	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccccc2O)ccc1[N+](=O)[O-]	5171961	HODREQJYDYCLFG-UHFFFAOYSA-N	315.285	1.684	50	20	DDGD	
COc1ccc(F)cc1C(=O)NNC(=S)Nc1ccccn1	161678496	OFPHMUVUZWEDCV-UHFFFAOYSA-N	320.349	1.861	50	20	DDGD	
Cc1cccc(CC(=O)NNC(=S)Nc2ccccn2)c1	161794094	AAMMHKSTIGFTLQ-UHFFFAOYSA-N	300.387	1.950	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)COc1cc(C)cc(C)c1	158331453	QITAOOUYTZBWAG-UHFFFAOYSA-N	308.378	1.502	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)[C@@]1(O)CCSC1	158951048	DURFQPXZPCUVFT-GFCCVEGCSA-N	304.318	1.599	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CCc1ccccc1)N1CCSCC1	151923754	NFLRKRDWNCGHBB-CYBMUJFWSA-N	321.446	1.204	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(C(F)(F)F)cc1)S(C)(=O)=O	153783346	NKJLXRKEXQTWHO-SSDOTTSWSA-N	310.297	1.582	50	20	DDGD	
O=C(COc1ccc2ccc(=O)oc2c1)NNc1ccccn1	155848110	IYWFZBPIHHMWJS-UHFFFAOYSA-N	311.297	1.710	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)C[C@H]2CCCCO2)n1	155859379	HOQGBDQTXMNXQF-GFCCVEGCSA-N	307.398	1.725	50	20	DDGD	
N#Cc1cccc(CNC(=O)NNC(=O)c2cccc(C#N)c2)c1	103511931	VOMHZSWKBISJKL-UHFFFAOYSA-N	319.324	1.574	50	20	DDGD	
Cc1csc(=O)n1CCC(=O)NNc1ncccc1Cl	114883991	CWQCFQHAZHKQCF-UHFFFAOYSA-N	312.782	1.800	50	20	DDGD	
COC(=O)NCC(=O)NN=C(c1ccccc1)c1ccccc1	54856965	XJCOGPGOFNXKPS-UHFFFAOYSA-N	311.341	1.911	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1sc(C)nc1C	67431620	VNEDSQMOTXFGBC-UHFFFAOYSA-N	305.359	1.843	50	20	DDGD	
Cc1ncsc1CNC(=O)NNC(=O)Cc1ccccc1F	66926429	QEXDKCAMFWAPAZ-UHFFFAOYSA-N	322.365	1.664	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2ccn3ccnc3c2)o1	177761675	VWNVMBMOKBBDSU-UHFFFAOYSA-N	313.317	1.380	50	20	DDGD	
CC(C)CCO[C@H](C)C(=O)NNC(=O)c1ccc(C#N)cc1	61462350	QQBAZPKBOKTIEC-GFCCVEGCSA-N	303.362	1.770	50	20	DDGD	
CCCCOCC(=O)NNC(=O)c1c(C)nc2ccccn12	118305963	DATNAVCLCDYLLK-UHFFFAOYSA-N	304.350	1.220	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)CC(=O)NNC(=O)c1ccncc1	124081663	BYPWKQHDLPGXFH-VIFPVBQESA-N	302.334	1.641	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)ncn1	172275673	ZHUQBCVYJGUAMJ-NFAWXSAZSA-N	321.425	1.362	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1ccccc1Cn1cccn1	178951615	LINNRAQPUHUZGG-DTQAZKPQSA-N	310.357	1.992	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(CCc2ccccc2)CC1	178951601	OVNFNXCRNLRHQG-BMRADRMJSA-N	313.401	1.817	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cn1	172274316	OQAUXVIPQVUFAT-HWWQOWPSSA-N	319.409	1.579	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCCC2(CC2)C1	186975996	BXHWACVHNXNQNV-UHFFFAOYSA-N	315.417	1.561	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCc1ccc(F)cc1F	127570730	YPGYQORWURYRPV-UHFFFAOYSA-N	308.288	1.390	50	20	DDGD	
CCc1ccnc(C(=O)NNC(=O)COCc2ccccc2)c1	181879448	BLEDZVFPNSIMKS-UHFFFAOYSA-N	313.357	1.622	50	20	DDGD	
CCCN1CC[C@@H](CNC(=O)NNc2cccc(OC)n2)C1	181431151	KQTYTDCVYLTTEZ-LBPRGKRZSA-N	307.398	1.448	50	20	DDGD	
COc1cccc(NNC(=O)Cc2ccc(-n3cccn3)cc2)n1	180732828	WIHIKRZQRSGCCW-UHFFFAOYSA-N	323.356	1.962	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NNc2ncc(F)cn2)C1	123259395	DHPMRBBHHQLHBX-MNOVXSKESA-N	323.372	1.344	50	20	DDGD	
CC(=O)Nc1cccc(C(=O)NNC(=O)c2ccncc2)c1C	188206697	FKONWLHGEZRPCE-UHFFFAOYSA-N	312.329	1.423	50	20	DDGD	
CC(=O)Nc1ccc(NC(=O)NNC(=O)c2ccc[nH]2)cc1	183232355	DUNUKGSAXGBFCY-UHFFFAOYSA-N	301.306	1.440	50	20	DDGD	
COCCN(C)CCCNC(=O)NNc1cc(Cl)ccn1	181401976	VMRGFRGXCFRGQP-UHFFFAOYSA-N	315.805	1.329	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)COC1CCCC1	44289770	MIEFHGLBKAWNCE-LLVKDONJSA-N	324.352	1.700	50	20	DDGD	
CC[C@@H]1C[C@H](C(=O)NNC(=O)CCc2ccccc2O)CCO1	180091728	ZLRFRDJCTKLPSF-ZIAGYGMSSA-N	320.389	1.677	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1cc(Cl)ccn1)C1CCCC1	182983009	WUVWVFBZARLCGS-ZDUSSCGKSA-N	310.785	1.873	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)OC[C@H]2CCCO2)c(O)c1	70822948	XSDHSTXAJRXUKW-NWDGAFQWSA-N	322.361	1.046	50	20	DDGD	
CC[C@H]1C[C@H](C(=O)NNC(=O)c2ccc(C#N)cc2)CCO1	183647802	MJTUODRDFFHXIC-KGLIPLIRSA-N	301.346	1.524	50	20	DDGD	
CCN(CC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1)C1CC1	135923885	JRJGVASLABYMEH-LLVKDONJSA-N	323.368	1.225	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)C(=O)Nc1ccccc1	132921804	IYOXHXDLXSDLFI-UHFFFAOYSA-N	313.342	1.773	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2CCCO2)cc1F	42968301	JGPSTDNLVWJFOH-ZDUSSCGKSA-N	310.325	1.093	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ccc(Cl)cc2O)n1	133933120	BHTPQXNPVWPUQG-UHFFFAOYSA-N	314.132	1.828	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(-n2cccn2)c(F)c1	146027434	PBQMMNNIPGDWNH-UHFFFAOYSA-N	307.285	1.794	50	20	DDGD	
Cc1cccnc1NC(=O)NNC(=O)c1cccc(N(C)C)c1	194238401	KFPFCWNVRFPFLZ-UHFFFAOYSA-N	313.361	1.923	50	20	DDGD	
NC(=O)CC[C@@H]1CCCN(CCI)C1	190857208	HUBXYAWVAPGLHH-VIFPVBQESA-N	310.179	1.399	50	20	DDGD	
C[C@@H](Oc1cccc(F)c1)C(=O)NNC(=O)c1cccn1C	97166398	HFOXVPAPRBESTP-SNVBAGLBSA-N	305.309	1.393	50	20	DDGD	
O=C(CSCC(F)(F)F)NNC(=O)Cc1ccc(F)cc1	90083398	PCCZIYWXBJVYPI-UHFFFAOYSA-N	324.299	1.811	50	20	DDGD	
O=C(COC(=O)/C=C\c1ccccc1)NNC(=O)c1ccccc1	96488195	AZHNZZVDTJZLDP-QXMHVHEDSA-N	324.336	1.704	50	20	DDGD	
N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)NNc1nc(-c2ccccc2)no1	237992753	LGYXGXDRRXJWPI-CYDGBPFRSA-N	313.361	1.553	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)/C=C\c2ccc3c(c2)OCO3)n1	254972037	HFULZIWWSIWIHN-XQRVVYSFSA-N	312.329	1.979	50	20	DDGD	
CCc1n[nH]c(=O)c(C(=O)NNc2ccc(OC)cc2)c1CC	269505114	GOHQBKAZQZZGMB-UHFFFAOYSA-N	316.361	1.660	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2nc(C)cc(OC)n2)c1Cl	266906592	IIZKSMCPKRAJQC-UHFFFAOYSA-N	324.772	1.729	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2nc(C)cc(OC)n2)C1	266982010	ZKQNSPLJOIGNHI-GHMZBOCLSA-N	322.365	1.216	50	20	DDGD	
COCCOCCNC(=O)NNc1ccc(OC(F)F)cc1	263817032	IQJYPVIWNJFTET-UHFFFAOYSA-N	319.308	1.577	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C2CC2)n(-c2ccccn2)n1	263893925	GWRWHYJKGQZHCP-UHFFFAOYSA-N	300.322	1.138	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@]1(C)Cc2ccccc2C(=O)O1	269619441	HRFWNQYDSPHMAB-KRWDZBQOSA-N	318.373	1.742	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)Nc1cccc2cccnc12	274056915	HWBZVXSKHUWJCE-UHFFFAOYSA-N	312.329	1.121	50	20	DDGD	
C[C@H]1CCCN(C(=O)C(=O)NNC(=O)c2cccc(Cl)c2)C1	278135039	ZSLGAPJSGNWFLR-JTQLQIEISA-N	323.780	1.360	50	20	DDGD	
CCCc1nnc(S)n1CC(=O)NCCSSC	285838045	XLMQHWLSBKOUKB-UHFFFAOYSA-N	306.482	1.647	50	20	DDGD	
COC(=O)N(C)NC(=O)c1c(C)nn(Cc2ccccc2)c1N	286404782	PKFWNQZVIFZDED-UHFFFAOYSA-N	317.349	1.165	50	20	DDGD	
COCCn1cc(C(=O)NCCSSC)c(=O)cc1C	287907155	PXDFJPUJHAPMRC-UHFFFAOYSA-N	316.448	1.544	50	20	DDGD	
CCOC1(CNC(=O)NNC(=O)c2cccc(C)n2)CCCC1	297059238	VUIBJIMUUDYQGN-UHFFFAOYSA-N	320.393	1.683	50	20	DDGD	
CNc1ccc(C(=O)NNc2cccc(F)n2)cc1[N+](=O)[O-]	804768809	WGRBIBVVLVZWEO-UHFFFAOYSA-N	305.269	1.928	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cncnc1C(C)C	808045644	PDTPPIFYQXZCSJ-UHFFFAOYSA-N	324.381	1.150	50	20	DDGD	
Cc1ccc(C(C)(C)C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	293814683	DWERUUZNYHNHNZ-JSGCOSHPSA-N	304.390	1.988	50	20	DDGD	
O=C(/C=C\c1cccs1)NNc1ccc(-n2ccnc2)nn1	804956143	BCKKBEGNUGJNJI-UTCJRWHESA-N	312.358	1.880	50	20	DDGD	
CC(=O)NNC(=O)c1nc2ccccc2cc1Br	808378633	UTMRENGSMRFNTQ-UHFFFAOYSA-N	308.135	1.778	50	20	DDGD	
CC(C)(C)C(=O)CCCC(=O)NNc1ncnc2nc[nH]c12	295937344	STPIHGOIIVEDCH-UHFFFAOYSA-N	304.354	1.582	50	20	DDGD	
CC(=O)NNC(=O)c1c(C)nn(Cc2ccc(C)cc2)c1Cl	298194678	KMVANFCLFJEKPC-UHFFFAOYSA-N	320.780	1.983	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H](C)c1ccsc1	802382610	CIMWGCDMBQENJP-UWVGGRQHSA-N	315.395	1.191	50	20	DDGD	
CCCc1nnc(NC(=O)NNC(=O)[C@H]2CCCCO2)s1	296485162	XBWYXNOSORAVAF-MRVPVSSYSA-N	313.383	1.212	50	20	DDGD	
CCC[C@H](C)C(=O)NCCNC(=O)NNC(=O)c1ccccc1	292383356	GZVWELYRDTWXFV-LBPRGKRZSA-N	320.393	1.183	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1cc2c(C)nn(C)c2s1	807961761	DAMCCZGBNYOQTR-UHFFFAOYSA-N	314.374	1.887	50	20	DDGD	
Cc1noc(Cl)c1CCC(=O)NNC(=O)N=c1cc[nH]cc1	802034010	WUPYAMRVYDMYDS-UHFFFAOYSA-N	323.740	1.239	50	20	DDGD	
O=C(NNC(=O)N1CCO[C@@H]2C[C@@H]21)c1ccc2ccccc2c1	814279228	PNFJEWPDYATFMO-LSDHHAIUSA-N	311.341	1.667	50	20	DDGD	
O=C(O)CCOc1cccc(C=NNC(=O)[C@@H]2CCCS2)c1	819826522	KIESZOMUIAGDMX-ZDUSSCGKSA-N	322.386	1.886	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)NCCC(=O)O)cc1	817818180	MYSRJTBRALOYKF-UHFFFAOYSA-N	307.350	1.403	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)Nc2ccn3ccnc3c2)n1	810231181	WAIFZLVFIRVUQM-UHFFFAOYSA-N	318.728	1.509	50	20	DDGD	
Cc1cncc(CCC(=O)NNc2ccc(-n3ccnc3)nn2)c1	816660006	LHLKIQVOVAICGM-UHFFFAOYSA-N	323.360	1.442	50	20	DDGD	
Cn1cnc(NC(=O)C(=O)NNc2ccc(C(C)(C)C)cc2)n1	815557741	COMROYROZAGYPF-UHFFFAOYSA-N	316.365	1.194	50	20	DDGD	
CC(C)(C)n1ncc2c(O)nc(NNC(=O)CCCC#N)nc21	812507106	KVSDGVFISPPKJC-UHFFFAOYSA-N	317.353	1.424	50	20	DDGD	
O=C(COCc1ccccn1)NNC(=O)Nc1ccccc1	813574091	WMMHZRRITNZZQK-UHFFFAOYSA-N	300.318	1.451	50	20	DDGD	
CO[C@H](C)CCNC(=O)NN=c1sc2ccccc2n1C	726714661	VARXLKKQJBGZDE-SNVBAGLBSA-N	308.407	1.780	50	20	DDGD	
CC(=NNC(=O)CCc1ccccc1O)c1cn(C)nc1C	729935120	YVTUKXJVCGPGDA-UHFFFAOYSA-N	300.362	1.907	50	20	DDGD	
COc1cccc(S(=O)(=O)NNC(=O)c2ccccc2O)c1	727349714	GQJGERDJJRZHTM-UHFFFAOYSA-N	322.342	1.024	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)c2cc3c(s2)CCC3)nc1	728855648	KHZYVQHAHFLXAT-UHFFFAOYSA-N	311.366	1.688	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@@H](OC1CCCC1)c1ccccc1	726941325	GEYJILGIYRYAIM-AWEZNQCLSA-N	305.378	1.989	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCc2ccn(C)n2)cc(C#N)n1C	490873387	DHCNKJHMLZRHQU-RIYZIHGNSA-N	322.372	1.205	50	20	DDGD	
COC(OC)C(=O)NNC(=O)Nc1ccc(C)cc1Cl	822760674	QPHJJBJTUUWWHW-UHFFFAOYSA-N	301.730	1.420	50	20	DDGD	
Cc1cc(C(=O)NN(C)[C@@H](C)CO)nn1-c1cccc(Cl)c1	823939136	GDAQULXQRXANHB-NSHDSACASA-N	322.796	1.792	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@](C)(O)c1cccc(C(F)(F)F)c1	495760991	IWONPBGIDQKBKY-LBPRGKRZSA-N	320.267	1.642	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CSC[C@H]1C(=O)NCC(C)C	490784072	WIFPAANHHABPIM-RDQDRAATSA-N	311.407	1.104	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1cc(Cl)cc2cccnc12	495368376	ZTSIKGVGTGAWFJ-UHFFFAOYSA-N	322.708	1.214	50	20	DDGD	
CN(C)C(=O)c1ccc(C(=O)NNC(=O)C2CCCC2)cc1	728179263	IPXQOKUUEAEAPY-UHFFFAOYSA-N	303.362	1.340	50	20	DDGD	
CCOC(=O)N[C@H](C(=O)NNC(=O)Nc1ccccc1)C(C)C	495785340	IWFDWJCOUSCJSR-LBPRGKRZSA-N	322.365	1.610	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	820646320	FJEGUKNQUSCGRZ-SECBINFHSA-N	320.305	1.046	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@H](C)NC(=O)NNC(=O)OC(C)(C)C	497035782	NIBZBROOJRXQQB-LKFCYVNXSA-N	301.387	1.929	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCc2ccccc2[C@H]1C	827287382	DYCZQGWWPXCELJ-XUJVJEKNSA-N	317.389	1.772	50	20	DDGD	
C[C@H]1CCC[C@]1(C)C(=O)NNC(=O)CNC(=O)c1cccs1	822970949	YTEQDUCFPNAIDT-BONVTDFDSA-N	323.418	1.452	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H](C)C1CN(C(=O)OC(C)(C)C)C1	495481236	PPXMZUDLFUUZPD-SECBINFHSA-N	315.370	1.267	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1nc2ccccc2n2nnnc12	727643337	PLOIHWHSHVHDED-HJWRWDBZSA-N	309.289	1.055	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H]2CCCC(F)(F)C2)c(F)c1	585041887	HZPMZDLFMYCQPK-SNVBAGLBSA-N	301.117	1.421	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC(OCCO)CC1	491160316	KWCGVMSRKNBZTE-SDNWHVSQSA-N	316.357	1.299	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(-c2ccccc2)nn1C	825414462	GFQCRAPMINHIEO-UHFFFAOYSA-N	315.377	1.831	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(=O)n(-c2cccc(F)c2)c1	495824734	YGKGAHIFQWJJJT-UHFFFAOYSA-N	319.292	1.320	50	20	DDGD	
CC(C)[C@H](NCc1cccc(B(O)O)c1)c1nc(C2CC2)no1	585032403	HMHGLIBSOPEPKZ-AWEZNQCLSA-N	315.182	1.114	50	20	DDGD	
CCCc1nc(C)c(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)o1	826855761	HBVYECKEISXYTA-MNOVXSKESA-N	324.381	1.191	50	20	DDGD	
N#Cc1ccc([C@H](NNC(=O)c2cccc(C#N)c2)C(=O)O)cc1	739110409	QASWEHZIXGTBGP-HNNXBMFYSA-N	320.308	1.490	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)c(C)n1C1CC1	730577524	VTUYQTWTOWTUJM-LBPRGKRZSA-N	323.418	1.325	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCSCC(=O)O)c1ccccc1	736846870	ISSFHEITOJWTMU-LBPRGKRZSA-N	324.402	1.536	50	20	DDGD	
O=C(NCC1CCC(F)(F)CC1)c1cc(B(O)O)ccc1F	584986073	AMOWGRDRHLZQRO-UHFFFAOYSA-N	315.100	1.061	50	20	DDGD	
COc1ncc(/C=C\C(=O)NN(C)C(=O)OC(C)(C)C)cn1	492978901	BVAWAELPSWFBEM-SREVYHEPSA-N	308.338	1.397	50	20	DDGD	
O=C(/C=C/[C@@H]1CCOC1)NNC(=O)Cc1c[nH]c2ccccc12	493806009	BRCNZYJGJWEZSU-BTDICHCPSA-N	313.357	1.451	50	20	DDGD	
C[C@@H]1CN(CCNC(=O)NNc2c(F)cccc2F)CCO1	735755766	WHSREQWZIJNQBT-SNVBAGLBSA-N	314.336	1.312	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cccc(NC(=O)O)c2)n1	737384084	QSVDCKXSLVTOGT-UHFFFAOYSA-N	316.321	1.389	50	20	DDGD	
CC(C)CN(CCN(C)C)C(=O)/C(C#N)=C\c1cnn(C)c1	491013137	TUOSFEXHJYZRJU-NVNXTCNLSA-N	303.410	1.373	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC([C@@](C)(O)C(F)(F)F)CC1	490880406	UVQNPKSLIYPGJA-WTNCMQEWSA-N	320.311	1.982	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNC(=O)CNc1ccc(C)cc1C	839483270	XZZUFRNINQQHCL-AWEZNQCLSA-N	307.394	1.678	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@H](C)c1cnccn1)c1ccccc1	906643076	ROAONQQEQDSDPJ-TZMCWYRMSA-N	312.373	1.921	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)c([N+](=O)[O-])c1	837479061	CMYSXTHSJSLYPB-JMJZKYOTSA-N	319.317	1.662	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1)C1CCC1	732765736	IZUUNQCZCXTOTK-KGLIPLIRSA-N	321.421	1.363	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2cccc3ncccc23)cnn1C	730225567	LINGLHKVJOZEDH-UHFFFAOYSA-N	323.356	1.606	50	20	DDGD	
Cc1cccnc1NNC(=O)CCCN1CCN(C(C)C)CC1	907698889	VGVUGJVUXKCXRI-UHFFFAOYSA-N	319.453	1.639	50	20	DDGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)NCC(=O)O)cc1	832928524	TYRLJPCASUDSPQ-NUBYWOLOSA-N	316.313	1.035	50	20	DDGD	
COCC1(CNC(=O)NNc2nc3ccccn3n2)CCCC1	838724086	TUVARGAMSPZUFF-UHFFFAOYSA-N	318.381	1.562	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@@H]1NC(=O)/C(C#N)=C\c1ccc(O)cc1	836810819	GRFHJAKZJICNAE-PVBRJXJSSA-N	314.341	1.757	50	20	DDGD	
COCCOc1ccc(C(C)=NNC(=O)c2c[nH]nc2C)cc1	735410677	RAHZDEJCBRTINO-UHFFFAOYSA-N	316.361	1.897	50	20	DDGD	
CCCOc1ccc(C(=O)N2CC[C@H](B(O)O)C2)cc1OCC	585075322	RRBDSUXVFHWDCC-ZDUSSCGKSA-N	321.182	1.563	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)c2ccnc(N(C)C)c2)cn1	731561047	LHLOYRZWQCLWCH-UHFFFAOYSA-N	300.366	1.518	50	20	DDGD	
CCCN1CCC[C@@H](C(=O)NNC(=O)Cc2ccccc2F)C1	906628476	RLRFLCNLIWSNRP-CQSZACIVSA-N	321.396	1.638	50	20	DDGD	
CC[C@H](C)[C@@H](C)N(C(=O)c1cc(B(O)O)ccc1F)C1CC1	584942006	PHKDRTUZJOAJSK-WDEREUQCSA-N	307.174	1.545	50	20	DDGD	
O=C(Nc1ccccc1)Nc1ccc(C(=O)NCB(O)O)s1	585060253	BJMHXUSIQDYHHH-UHFFFAOYSA-N	319.151	1.134	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H]2CCCCO2)ccc1-n1cncn1	834989840	RYGAQYYAYNPPMM-HNNXBMFYSA-N	313.361	1.595	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2CC[C@@]21c1ccccc1	585010459	RLLIKLLXGRMFBP-VQIMIIECSA-N	321.185	1.518	50	20	DDGD	
COC[C@H](C)CNC(=O)NNc1ccc(F)c(C(=O)OC)c1	838482240	LQSOZPAKOWXHSO-SECBINFHSA-N	313.329	1.521	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@@H](O)CC(C)(C)C1	832147350	FYFMUDQCBHOGCN-QWHCGFSZSA-N	313.442	1.051	50	20	DDGD	
COCCOCCCNC(=O)NNc1cc(F)ccc1F	916662551	ZNAFPBKVMNMTKV-UHFFFAOYSA-N	303.309	1.644	50	20	DDGD	
CO[C@@H]1C[C@@H](NCC(=O)NNC(=O)c2cccc(C)c2)C1(C)C	831338489	IYLZXXOVUKPDLC-ZIAGYGMSSA-N	319.405	1.159	50	20	DDGD	
CCC(F)(F)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	831477196	HHGFQQSQSNYCGQ-UHFFFAOYSA-N	323.340	1.484	50	20	DDGD	
C[C@H](O)CC(C)(C)CNC(=O)NNc1ncc(F)cc1F	838494854	JGKHNLIWEMBMDL-QMMMGPOBSA-N	302.325	1.783	50	20	DDGD	
CC(=NNC(=O)Cn1cnc2ccccc21)c1cnc(C)nc1C	741454315	APVRXHZXNNKKAE-UHFFFAOYSA-N	322.372	1.984	50	20	DDGD	
O=C(/C=C\c1ccccc1F)NNC(=O)NCC(F)(F)F	918707198	FSRVBWYIRIIQNY-WAYWQWQTSA-N	305.231	1.732	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)C1(O)CCCCC1	848321453	TWCQRDJQCNICLP-UHFFFAOYSA-N	315.171	1.377	50	20	DDGD	
C#CCOCCNC(=O)NNc1ncnc(Cl)c1C(C)C	840343803	FBPOONKJQLNXEN-UHFFFAOYSA-N	311.773	1.529	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H](C)Cc2cnc[nH]2)cc1	848045066	SBEPNQRDFGPCOZ-JTQLQIEISA-N	317.349	1.450	50	20	DDGD	
Cc1cc(CCCC(=O)NNC(=O)c2ncccn2)c(C)s1	841349993	DAZKKKDCNUZXBE-UHFFFAOYSA-N	318.402	1.939	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@H]2CCCOCC2)cc1	845094312	OPUZDGUWCPLDIU-ZDUSSCGKSA-N	321.377	1.597	50	20	DDGD	
Cc1c(C(=O)NNC(=O)Cc2cccnc2)cnc2ccccc12	748707484	BRCCWNYGWHRTIB-UHFFFAOYSA-N	320.352	1.942	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2ccc(OCCN)cc2)n1	841325340	NSUVJZRRRGJJHI-UHFFFAOYSA-N	316.365	1.580	50	20	DDGD	
O=C(OCc1ccccc1)C1(NS(=O)(=O)CCl)CCC1	841546971	GFTCLLNHGPOGNF-UHFFFAOYSA-N	317.794	1.768	50	20	DDGD	
C#CCO[C@H](C)C(=O)Nc1cccc(NC(=O)NN(C)C)c1	843872278	ZBQKEQZYCZHCLJ-LLVKDONJSA-N	304.350	1.262	50	20	DDGD	
COCCOCC(C)=NNC(=O)c1nnc(-c2ccccc2)o1	741163076	OBIGLYZRLOQCPV-UHFFFAOYSA-N	318.333	1.505	50	20	DDGD	
CCN(C)C(=O)COC(=O)/C(C#N)=C/c1cccc(OC)c1	746555127	SGGLDMJRYNPERO-MDWZMJQESA-N	302.330	1.624	50	20	DDGD	
CSc1ccsc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843650429	CGBXXOCXWKNNNH-HTQZYQBOSA-N	300.405	1.656	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1	916607686	LISNSDLKJDCYLP-OAHLLOKOSA-N	318.421	1.637	50	20	DDGD	
CCNC(=S)NNC(=O)Nc1ccc(OC(F)F)cc1	741866039	JFYWEIGRZGYLIW-UHFFFAOYSA-N	304.322	1.809	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCCN1CCCC1=O	846463485	IHKZFXNVYWDLSC-JTQLQIEISA-N	305.216	1.535	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NC[C@H]2CNCCCO2)cc1	842010655	KOPVDBORLYOLJP-OAHLLOKOSA-N	320.437	1.989	50	20	DDGD	
Cn1nc(C2CC2)nc1CC(=O)NNc1cccc2cnccc12	843832666	DYMGNQMMCOCSJK-UHFFFAOYSA-N	322.372	1.927	50	20	DDGD	
O=C(NNc1c(F)cccc1Cl)[C@H]1CCc2nnnn2CC1	845953002	HSDHTTVRHLTMPA-QMMMGPOBSA-N	324.747	1.561	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H]1CC[C@@H](SC)C1	743598902	NWCYOIJIWVVRBT-GHMZBOCLSA-N	323.418	1.923	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cc3c(nc2O)CCC3)n1	747979589	GPYVUVNULIZOTG-UHFFFAOYSA-N	319.752	1.785	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@H]1CCc2ccccc2C1	846633283	ZCZZFDIXAPYESE-NSHDSACASA-N	300.280	1.891	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)c2cnn3c2CCC3)cc1	846376782	GALMWDRYYTVPJJ-UHFFFAOYSA-N	314.345	1.302	50	20	DDGD	
CC(=O)NNC(=O)c1cccc(CSc2nccn2C)c1	749262268	UGCYMKWMXAXAAC-UHFFFAOYSA-N	304.375	1.493	50	20	DDGD	
C[C@H](CN)NC(=O)NNC(=O)Cc1cccc2ccccc12	841969403	LOZCRWMTPCZCKI-LLVKDONJSA-N	300.362	1.060	50	20	DDGD	
CC(CCc1cccc(C)c1)=NNC(=O)[C@@H]1CCS(=O)(=O)C1	920369980	CYSUEVWTHJFBCW-OAHLLOKOSA-N	322.430	1.854	50	20	DDGD	
C#CC[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)c1ccccc1	757059963	ZJXRHJPCFRSYGS-CQSZACIVSA-N	311.345	1.129	50	20	DDGD	
CC(=O)c1cccc(CNC(=O)NNC(=O)[C@@H]2CCCCO2)c1	923100393	DJPDNFWQEUHEPM-AWEZNQCLSA-N	319.361	1.289	50	20	DDGD	
CN1CC[C@@H](C(=O)OC[C@H](CBr)C2CC2)CC1=O	859489644	MLAXIAAVNLWIHT-MNOVXSKESA-N	318.211	1.819	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2c(C3CC3)cnn2C)cc1	854215552	JYUNZXIKZMQLDM-UHFFFAOYSA-N	312.373	1.935	50	20	DDGD	
O=C(CN1CC[C@H]1Cc1ccccc1)NNC(=O)c1ccccc1	752316808	ZSMVVNBIWIXTED-KRWDZBQOSA-N	323.396	1.765	50	20	DDGD	
CCOC1(C(=O)NNc2cc(Cl)nc(C)n2)CCOCC1	854956230	GYUGCBXSRCTKPP-UHFFFAOYSA-N	314.773	1.467	50	20	DDGD	
O=C(NC[C@@H]1CCCS1)NNC(=O)c1cccc([N+](=O)[O-])c1	757253711	GMMHUMAGFDAHMX-NSHDSACASA-N	324.362	1.434	50	20	DDGD	
COc1ncc(C(=O)NC[C@]2(C)C[C@@H]2Br)cn1	857399487	WIXMSGIKJWTNQX-KWQFWETISA-N	300.156	1.389	50	20	DDGD	
COCc1ccccc1C(=O)NNC(=S)N[C@@H](C)C1CC1	855102465	JSWZXIRXOBONNX-JTQLQIEISA-N	307.419	1.740	50	20	DDGD	
COC(=O)NCCC(=O)OC[C@@H](CBr)C1CC1	859558543	JBDYXJDYPKAJFJ-SECBINFHSA-N	308.172	1.697	50	20	DDGD	
CN(C)C(=O)c1ccc(C=NNC(=O)NC2CCCCC2)[nH]1	752160048	MJCNYQJSYMYVQP-UHFFFAOYSA-N	305.382	1.682	50	20	DDGD	
CO[C@@]1(C)C[C@H](NC(=O)NNC(=O)c2cccc(F)n2)C1(C)C	852164130	QKKDKVRWTKBWOV-BONVTDFDSA-N	324.356	1.368	50	20	DDGD	
COCc1nc(C)c(C(=O)NNC(=O)c2ccccn2)s1	758039751	KZNLGCPSVLSAQR-UHFFFAOYSA-N	306.347	1.068	50	20	DDGD	
CCC(=NNC(=O)CNc1cccc(OC)c1)c1ccn(C)n1	758097863	XTLFWKDDRQXIFR-UHFFFAOYSA-N	315.377	1.771	50	20	DDGD	
CCC(=NNC(=O)COc1ccccc1OC)c1ccn(C)n1	758075266	ZFTFQGUHLSRODR-UHFFFAOYSA-N	316.361	1.738	50	20	DDGD	
CCOC(=O)N1CSC[C@@H]1C(=O)NNc1cccc(F)n1	935963220	ZKCBMWLIUMQAHA-MRVPVSSYSA-N	314.342	1.195	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)c2ccc[nH]2)C[C@@H]1Br	856951190	QPRMNPSVXBGOIW-KWQFWETISA-N	315.171	1.132	50	20	DDGD	
CCO[C@@H](CNC(=O)NNC(=O)c1cn[nH]c1)c1ccccc1	858399077	RQQKTXRRQDFNOE-ZDUSSCGKSA-N	317.349	1.132	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C1CN(C(C)C)C[C@H]1C	754256665	YIIODFIMLZSVDS-CYBMUJFWSA-N	318.421	1.939	50	20	DDGD	
O=C(C[C@H](n1cccn1)C(F)(F)F)NNC(=O)c1ccc[nH]1	854279395	XTEMQSHKHNNQDM-VIFPVBQESA-N	315.255	1.166	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2cc(C(=O)O)cs2)ccn1	755708338	DDLDNEUHZXSPCN-UHFFFAOYSA-N	318.358	1.671	50	20	DDGD	
CCN(CCNC(=O)NC[C@]1(C)C[C@H]1Br)C1CC1	856831131	CEGRNZRIDYTJCL-YPMHNXCESA-N	318.259	1.943	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1cncc(N2CCCC2)n1	868311355	RDJOTIJGMLEGBC-UHFFFAOYSA-N	302.313	1.368	50	20	DDGD	
CCN1C[C@H](C)N(S(=O)(=O)CC(C)(C)CCl)C[C@H]1C	867033085	CBJJNFSURXHSSL-NEPJUHHUSA-N	310.891	1.996	50	20	DDGD	
COCCn1cc(C(=O)NNc2nccnc2C(C)C)cn1	867850557	DTNHRLQANXFWPM-UHFFFAOYSA-N	304.354	1.200	50	20	DDGD	
O=C1C[C@H]2C[C@@H]1[C@H](C(=O)NNCC(F)(F)C(F)(F)F)C2	863102287	YTLADHDNVKAPTJ-RRKCRQDMSA-N	300.227	1.420	50	20	DDGD	
CCOC(=O)c1nn(C)cc1C=NNC(=O)c1ccccc1O	769762658	JVPAXUFCVHAFFU-UHFFFAOYSA-N	316.317	1.066	50	20	DDGD	
COCc1cc(C(=O)N(C)NC(=O)OCc2ccccc2)no1	862287613	RENLPBMGMOQOSW-UHFFFAOYSA-N	319.317	1.734	50	20	DDGD	
COc1cc(C(C)=NNC(=O)c2cccn2C)c(OC)cc1O	763149772	QEZVLFNKLPOTRE-UHFFFAOYSA-N	317.345	1.902	50	20	DDGD	
OB(O)c1cccc(CNc2ccc3oc(C4CC4)nc3c2)c1	864019860	BMNFISJBTPNEER-UHFFFAOYSA-N	308.146	1.997	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)c1cncnc1	760801443	UQXMWFRPYVEGSD-UHFFFAOYSA-N	303.347	1.117	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cccc(-c2cccnc2)c1	768483971	WEKNGYDTYVDXPR-UHFFFAOYSA-N	310.357	1.723	50	20	DDGD	
Cn1ccc(C(=O)NNC(=O)c2cccc(Br)c2)c1	763418340	FJLLUPRJZNMXCL-UHFFFAOYSA-N	322.162	1.862	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CCC(F)(F)C2)n1	764378496	OQTDAFHOBWXKGP-SNVBAGLBSA-N	315.324	1.018	50	20	DDGD	
COCC(=O)NN=Cc1csc(-c2ccc3c(c2)OCO3)n1	761818669	QFGGYFGLRRKAFQ-UHFFFAOYSA-N	319.342	1.635	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Nc1ccc2c(c1)OCO2)n1cccc1	1116947492	LCSUUIOQLNPDQD-SNVBAGLBSA-N	316.317	1.631	50	20	DDGD	
O=C(NNC(=O)C1SCCS1)c1cc(Cl)ccc1O	763496106	BXEYXAJDXIYUEU-UHFFFAOYSA-N	318.807	1.613	50	20	DDGD	
Cc1conc1NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	1116590500	WVZUSWCAEGUEMZ-UHFFFAOYSA-N	305.250	1.358	50	20	DDGD	
Cc1cc(C)c(C=NNC(=O)c2cccc(S(C)(=O)=O)c2)[nH]1	760242893	LKUQTRWZRSBXOF-UHFFFAOYSA-N	319.386	1.799	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2nccn3cc(C)nc23)c1	762144944	RCWKFOKXPJURCN-UHFFFAOYSA-N	315.308	1.942	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cccc(N(C)C)c1)CC(C)(C)C	873823641	CKBYKCTYQYNKJH-UHFFFAOYSA-N	320.437	1.492	50	20	DDGD	
COC(=O)C[C@]1(NC[C@H](C)CBr)CCCOC1	770703681	ZCGMTTHFAYWDSA-ZYHUDNBSSA-N	308.216	1.719	50	20	DDGD	
O=C(Cc1csc(N2CCOCC2)n1)NN=C1CC[C@@H]2C[C@H]12	872338002	LHIKNAVKVVFLPT-PWSUYJOCSA-N	320.418	1.424	50	20	DDGD	
CCC(C#N)(CC)C(=O)NNC(=S)Nc1ccc(OC)nc1	874955091	HOYTWLVECIPWGD-UHFFFAOYSA-N	321.406	1.738	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)Cc1cc2ccccc2o1	772047714	YNIYFTCFDQIWOO-JTQLQIEISA-N	318.329	1.464	50	20	DDGD	
COCCC1(C(=O)NNC(=S)Nc2ccc(OC)nc2)CC1	874953368	ADBHABJFXYOETQ-UHFFFAOYSA-N	324.406	1.225	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C(C)=O)s1	771913366	VQKJXDBLXITNHM-QMMMGPOBSA-N	312.347	1.053	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCc1cccc(OCC#N)c1	1116063440	IVKDRNIVJXJSBB-UHFFFAOYSA-N	320.349	1.828	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1)C(C)C	770218894	BZANNKVGXCZNBZ-ZWNOBZJWSA-N	312.341	1.411	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(C2CC2)cc1	1118627364	ZSQNIJAVMBUUNC-UHFFFAOYSA-N	317.389	1.630	50	20	DDGD	
COCCOCC(=O)NN=C1CC(c2cc(F)cc(F)c2)C1	872400012	DYFPUTXACGACDB-UHFFFAOYSA-N	312.316	1.977	50	20	DDGD	
C#CCOc1ccccc1NC(=O)NNC(=O)c1ccccn1	776095919	BADZRGGTLGHZTE-UHFFFAOYSA-N	310.313	1.560	50	20	DDGD	
C[C@@H](CBr)CN1CCC[C@H](N2CCNC2=O)C1	770652471	KBCDEQRCLIFOIL-QWRGUYRKSA-N	304.232	1.507	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H](C2CCCCC2)C1)c1cccnn1	883854077	XFKYVEYDSOYCGX-ZDUSSCGKSA-N	317.393	1.733	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccc(O)c([N+](=O)[O-])c1	772840164	GQLMXOKRMJJJJR-UHFFFAOYSA-N	317.305	1.971	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc2oc(C)c(C)c2c1	773491863	LKCZNOYLJXZJBH-UHFFFAOYSA-N	303.318	1.546	50	20	DDGD	
O=C(CC(=O)NNc1cc(F)ccc1F)NCC(F)(F)F	885142787	JIUJYTWKEBMTIB-UHFFFAOYSA-N	311.210	1.477	50	20	DDGD	
CNC(=O)c1cccc(CNS(=O)(=O)CCCCl)c1	881780593	QOWJBCKKLRXGNQ-UHFFFAOYSA-N	304.799	1.095	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=Cc1cc(F)cc(Cl)c1	776725604	BVSBYVZVUMSJQU-UHFFFAOYSA-N	324.699	1.373	50	20	DDGD	
CC1=NO[C@](C)(C(=O)NNC(=O)NCc2ccc(Cl)cc2)C1	1120721371	DOUDSUQFWYDCRV-AWEZNQCLSA-N	324.768	1.725	50	20	DDGD	
CC(C)COc1cccc(C(=O)NNC(=O)c2cccnn2)c1	882061229	AWBMBGAFRYWQFB-UHFFFAOYSA-N	314.345	1.586	50	20	DDGD	
CO[C@](C)(C(=O)NNc1ccnc(N(C)C)n1)c1ccccc1	776155743	HKHKPKIBDCNLRG-INIZCTEOSA-N	315.377	1.548	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21	883139984	GDMQILPFNXLZOO-MPLKPFFPSA-N	315.377	1.245	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	785409504	DPNBFJJINOGQTF-KYXWUPHJSA-N	321.299	1.083	50	20	DDGD	
CCc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1cccnn1	882060138	VHYOUGFGWTUHNR-UONOGXRCSA-N	310.357	1.604	50	20	DDGD	
C[C@H]1CCCN([C@H](C)CNC(=O)NNc2ccc(C#N)cn2)C1	887705378	NBYQBENPIXEKRY-QWHCGFSZSA-N	316.409	1.700	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](CC(=O)OC)c1ccncc1	787411207	CSPUVJWXBQLDBH-XSNHNAGMSA-N	303.318	1.246	50	20	DDGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)[C@H]1CC12CCOCC2	788602933	VVNQSNJDMGUGJG-SNVBAGLBSA-N	309.297	1.994	50	20	DDGD	
OCCOCc1cn([C@@]2(Cl)C[C@H]2CCBr)nn1	881383320	UKFQCXQSHPCIRC-SCZZXKLOSA-N	324.606	1.484	50	20	DDGD	
COCC1(C(=O)NNC(=O)COc2ccc(C)c(C)c2)CCC1	785684488	MEYDMYQSCLFHFO-UHFFFAOYSA-N	320.389	1.646	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)COc2cc(C)on2)c1	780789999	QCDYJXBHGOBGDF-UHFFFAOYSA-N	305.290	1.292	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@H]1CN1CCn2c(nnc2-c2cn(C)cn2)C1	895843995	QOWCSFPLTMDPRB-KWBADKCTSA-N	306.801	1.368	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cc(OC)ccc2O)c1	780791424	JQAFXHRVNCUWNY-UHFFFAOYSA-N	316.313	1.944	50	20	DDGD	
COc1cc(C)ccc1C(=O)NNC(=O)NCc1ccco1	780469893	IXDHMPUJKGTMHU-UHFFFAOYSA-N	303.318	1.741	50	20	DDGD	
COc1ccc(CNS(=O)(=O)CBr)c(F)c1	782470694	ILGONHDEISDNRG-UHFFFAOYSA-N	312.160	1.606	50	20	DDGD	
Cc1ncc(NC(=O)C(=O)NNc2ccc(Cl)c(F)c2)cn1	785179022	LCYKBLCHRNZAJO-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
O=C(NNC(=S)NC12CC3CC(CC(C3)C1)C2)c1ncon1	899575886	WMNAYLBQSDBCDT-UHFFFAOYSA-N	321.406	1.147	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N[C@@]1(C)CCO[C@@H]1C1CC1	784595809	RRYPYFQLILXHNW-PEYYIBSZSA-N	311.426	1.116	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@@H](CCO)C1CCOCC1	780843030	RTEQAVDADRKXQI-LBPRGKRZSA-N	313.847	1.102	50	20	DDGD	
C=C(CBr)COC(=O)Cn1c(C)cc(O)cc1=O	795544411	YHLMKZOTNDXYLB-UHFFFAOYSA-N	316.151	1.357	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2cccc(F)c2[N+](=O)[O-])c[nH]1	791066400	HNTNUDXSQWYQEP-UHFFFAOYSA-N	306.253	1.488	50	20	DDGD	
Cn1ccc(CCC(=O)NNC(=O)CCCc2ccccc2)n1	794276552	VDUDUVHHUBIAQP-UHFFFAOYSA-N	314.389	1.523	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNC(=O)C(C)(C)C)c(C)cc1C	796969742	JYXANVJVDYAAMD-UHFFFAOYSA-N	321.377	1.444	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ncccc1Cl	794310301	CBLQTLNVXKEAEZ-UHFFFAOYSA-N	305.721	1.818	50	20	DDGD	
Cc1noc(C2CCC(=NNC(=O)N3CCN(C)CC3)CC2)n1	797403297	HXYPPKUWLHBXRS-UHFFFAOYSA-N	320.397	1.349	50	20	DDGD	
CCOc1cccc(S(=O)(=O)NNC(=O)c2ccccn2)c1	799913101	JNDBVFXVLFNPHE-UHFFFAOYSA-N	321.358	1.104	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)Cc2cccn2C)n1	793229307	WLUKBKWHKYANEA-UHFFFAOYSA-N	301.350	1.215	50	20	DDGD	
O=C(NNc1nccc2sccc12)C(=O)Nc1cnns1	1324592397	BRFSSLSOWVYLIV-UHFFFAOYSA-N	320.359	1.230	50	20	DDGD	
CN(C)CC(C)(C)CNC(=O)C1CCN(C(=O)CCl)CC1	1320465228	FCKJIRQGGGRYOX-UHFFFAOYSA-N	317.861	1.168	50	20	DDGD	
COc1cncc(C(=O)NNc2cncc(Br)c2)n1	1324513887	URGIIZPBRHVTKI-UHFFFAOYSA-N	324.138	1.400	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccc(C(N)=O)nc2)C[C@@H]1Br	1328662662	QHPZOTUOYICJEU-CABZTGNLSA-N	312.167	1.084	50	20	DDGD	
Cn1cc(CC(=O)NNc2cncc(Br)c2)cn1	1323066792	JNYBFCSNCDYGPT-UHFFFAOYSA-N	310.155	1.263	50	20	DDGD	
CO[C@H](C(=O)NNc1cncc(Br)c1)C(C)C	1255090068	SODWFTJTXUCJRW-JTQLQIEISA-N	302.172	1.958	50	20	DDGD	
CC(C)c1nnsc1C(=O)NNC(=O)NC1CCCCC1	1335406595	GRURSHINYFAZPL-UHFFFAOYSA-N	311.411	1.938	50	20	DDGD	
C[C@]1(C(=O)N[C@@H](CO)CC(F)(F)F)C[C@@H]1Br	1332067067	BBFPCDHKJTVDIS-CHKWXVPMSA-N	304.106	1.589	50	20	DDGD	
O=C(c1cccc(CCl)c1)N1CCOC[C@H]1c1nn[nH]n1	1337379694	YICFMERAYRLRAB-NSHDSACASA-N	307.741	1.152	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cn(C)cc1C(F)(F)F	1344522670	BHAGQXIBNCJBBG-UHFFFAOYSA-N	306.313	1.339	50	20	DDGD	
C[C@@]1(C(=O)NCc2cccc(O)c2O)C[C@@H]1Br	1263894293	ADAXWUHNUPWSJZ-JOYOIKCWSA-N	300.152	1.888	50	20	DDGD	
Cc1cc(=NNC(=O)NCCC(=O)N2CCC[C@H](C)C2)cc[nH]1	1346642727	VBEKTNOSSBMENN-LBPRGKRZSA-N	319.409	1.087	50	20	DDGD	
COC(=O)c1cccc(C=NNC(=O)Cc2csc(C)n2)c1	1340356184	DXEKYXHSGQGIQS-UHFFFAOYSA-N	317.370	1.931	50	20	DDGD	
C[C@H](CN1CCOCC1)N(C)C(=O)C1CCC(Cl)CC1	1348566915	FXDDESQIWSJUOS-IYXRBSQSSA-N	302.846	1.963	50	20	DDGD	
COc1cccc(NNC(=O)c2cnn3c2NC[C@H](C)C3)n1	1521308571	OBZRPGQKCSKHQF-VIFPVBQESA-N	302.338	1.105	50	20	DDGD	
CC[C@@H](NNC(=O)[C@@H](C)Oc1cccc(Cl)c1)C(=O)O	1605100080	XOHMACWNWBYLLH-LDYMZIIASA-N	300.742	1.591	50	20	DDGD	
CC(C)[C@H](C(=O)O)C(=O)NNc1ccnc(Br)c1	1602970083	KSKPEXZYKNJDOW-VIFPVBQESA-N	316.155	1.644	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cccc3nccn23)cc1F	1602382811	DJWBWAPHHLREQJ-UHFFFAOYSA-N	314.276	1.929	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C(=O)O)c1ccccc1C(F)(F)F	1604290145	CZKAJFHUWBLTRN-ZCFIWIBFSA-N	319.239	1.181	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H](C(=O)NNc2cc(F)cc(F)c2F)O1	1602177126	NLIYTMJLPQLQAS-BDAKNGLRSA-N	304.224	1.179	50	20	DDGD	
Cc1c(NC(=O)NNc2ccc(C(=O)O)cc2F)nnn1C	1607546467	LQKSFPSGHSLEAP-UHFFFAOYSA-N	308.273	1.109	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)[C@@H]1CCc2n[nH]cc2C1	1610852593	XMAKIXHGBJFQLI-SECBINFHSA-N	300.318	1.356	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NNc1ccc(C(=O)O)cc1OC	1610033125	CDNFXSMGAUQEEW-NTMALXAHSA-N	305.290	1.280	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)C(=O)O)cc1	1610040997	NTUZCWDCNZRUED-UVIKPUKZSA-N	317.297	1.578	50	20	DDGD	
CO[C@H]1C[C@@H]2CC(=NNC(=O)[C@@H]3CN4CCC[C@H]4CO3)C[C@@H]2C1	1549312945	GCZOIVZBAOGJRY-URLPEUOOSA-N	321.421	1.157	50	20	DDGD	
COCC(=NNC(=O)[C@H]1CCCO[C@H]1c1ccnn1C)C(C)C	1549319123	IHHIPZIOFOEDQC-SWLSCSKDSA-N	322.409	1.662	50	20	DDGD	
Cc1cc(Br)cnc1NNC(=O)[C@]1(C)CCNC1	1579552537	BWZZHPXZGUVLQE-GFCCVEGCSA-N	313.199	1.595	50	20	DDGD	
Cc1nn(C)c2nc(Cl)cc(NNC(=O)[C@@H]3CCN[C@H]3C)c12	1579891657	QJTBNVFJNLIOCX-IONNQARKSA-N	322.800	1.371	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)/C=C/C2CC2)C1	1841373725	RXZQODYCKWANBO-ZYOFXKKJSA-N	300.761	1.690	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H](C(=O)O)CCN1C[C@H](C)CBr	1598750224	JXOAXHQTKOGPTA-UTLUCORTSA-N	322.199	1.356	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)O1	1590193455	OKGJSKRBUFGYHO-KBVBSXBZSA-N	302.338	1.123	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1	1591362889	TYJIJYCCAGAVGP-VXGBXAGGSA-N	302.338	1.125	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)c1ccc(-c2nn[nH]n2)cn1	1593163722	GSULINBPOKBJIV-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCOc2c(cccc2C(=O)O)C1	1596859334	AETLKHBXLUALHP-ZRDIBKRKSA-N	316.313	1.550	50	20	DDGD	
CN(C)[C@@H]1CCC[C@@H](NC(=O)NNc2cccc(C(=O)O)c2)C1	1598191388	OZSBTILVXGVMIA-TZMCWYRMSA-N	320.393	1.884	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NN=C1CCCc2cc(C(=O)O)ccc21	1776102088	GOAREFXCIFYSLY-HIFRSBDPSA-N	316.357	1.966	50	20	DDGD	
CCCC(=O)NN=Cc1ccc(OC(F)(F)C(=O)O)cc1	1776107115	KNXTZYBEQUPWNC-UHFFFAOYSA-N	300.261	1.993	50	20	DDGD	
Cc1cc(OCC(=O)NNC(=O)c2cnn(C)c2)ccc1Cl	17241125	VQQLTBNUWRYFSH-UHFFFAOYSA-N	322.752	1.222	50	20	DDGD	
CCc1nc(CC(=O)NNC(=S)Nc2ccccn2)cs1	161868751	WZVKHWVZNNFEMY-UHFFFAOYSA-N	321.431	1.661	50	20	DDGD	
Cn1ccc(NC(=O)NNc2ccc(C(F)(F)F)cn2)n1	158978706	JSNDNCWLMJWPGV-UHFFFAOYSA-N	300.244	1.983	50	20	DDGD	
Cc1nn(C)c(C)c1OCC(=O)NNc1cccnc1Cl	163109190	DRBSWCPLZYBTPX-UHFFFAOYSA-N	309.757	1.607	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cccc(C#N)c1)[C@H](C)C(C)C	165037138	PQDMCEDZHLQQDI-CYBMUJFWSA-N	316.405	1.686	50	20	DDGD	
CS(=O)(=O)Nc1ccc(F)cc1C(=O)NNc1ccccc1	151300115	JNYZQKHOMGEHRL-UHFFFAOYSA-N	323.349	1.954	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1ccc2[nH]cnc2c1	156096575	YQTLLINJHLMRQA-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
CN(Cc1cccn1C)C(=O)NNC(=O)c1ccc(C#N)cc1	157413846	XJGCTNCCQCODSZ-UHFFFAOYSA-N	311.345	1.383	50	20	DDGD	
CN1C(=O)c2ccc(C(=O)NNc3cccc(F)c3)cc2C1=O	154441594	GASWRYNUCLRNRG-UHFFFAOYSA-N	313.288	1.808	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(OC)c(Br)s1	159484648	GCWKSYQPMKWQOE-UHFFFAOYSA-N	308.157	1.093	50	20	DDGD	
CC1(C)[C@H](O)C[C@H]1NS(=O)(=O)c1ccc(CCCl)cc1	130278424	TWFYOFDGLFEMRN-CHWSQXEVSA-N	317.838	1.906	50	20	DDGD	
C[C@@H](CNS(=O)(=O)c1ccc(CCCl)cc1)CN(C)C	312782864	HWXUKCLMXININY-LBPRGKRZSA-N	318.870	1.944	50	20	DDGD	
O=S(=O)(NCCN1CCOCC1)c1ccc(CCl)cc1	379991592	MNXMAJMIQKQUCF-UHFFFAOYSA-N	318.826	1.036	50	20	DDGD	
COCc1cccc(C(=O)NNC(=O)Cc2ccc(F)cc2)c1	8031051	UAPAKIHNPBSZDL-UHFFFAOYSA-N	316.332	1.976	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNC(=O)Cn1ccc2ccccc21	104632977	YRUKRPDPLGTHEO-ZDUSSCGKSA-N	317.389	1.994	50	20	DDGD	
CO[C@@H](C)C(=O)NNC(=O)c1cc(-c2cc(C)ccc2C)n[nH]1	178006844	BZBKEHQEPQNSDT-NSHDSACASA-N	316.361	1.489	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1cccc(N2CCCC2=O)c1	55006356	WZAUCIWEFBGTSK-WYMLVPIESA-N	313.357	1.874	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)[nH]1	177699990	SEDAQAZZHLSFTQ-LLVKDONJSA-N	319.336	1.999	50	20	DDGD	
CCCNC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	68931945	JBIPIEAVZDNEIB-UHFFFAOYSA-N	302.375	1.032	50	20	DDGD	
Cc1nc2c(s1)[C@H](N(C)CC(=O)NNC(=O)C1CC1)CCC2	112982021	ZZJSKSNDMHMQOK-GFCCVEGCSA-N	322.434	1.318	50	20	DDGD	
CN(C)C(=O)NNC(=O)Cc1ccccc1Br	171479383	OREABBSTSZLJSE-UHFFFAOYSA-N	300.156	1.294	50	20	DDGD	
CCNC(=O)NNC(=O)c1cccc(Oc2ccncc2)c1	112631662	SRCFEIYFMIOHMD-UHFFFAOYSA-N	300.318	1.838	50	20	DDGD	
CCNC(=O)NC(=O)COC(=O)/C(C#N)=C/c1ccc(C)cc1	21670656	YLPLGWMFKCTPHH-MDWZMJQESA-N	315.329	1.291	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@@H]2C[C@@H]2C)cc(OC)c1OC	26955481	HRVICVCNRLKNAK-WCBMZHEXSA-N	308.334	1.129	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3cc(C)n[nH]3)[nH]n2)cc1	125565515	GATQOFWMQPHPDN-UHFFFAOYSA-N	324.344	1.491	50	20	DDGD	
CCOC1CCN(C(=O)NNC(=O)c2ccc(C#N)cc2)CC1	60994843	WFPNUDBCIDAMSE-UHFFFAOYSA-N	316.361	1.414	50	20	DDGD	
CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)CCCCCl	154201727	SWDCCXUGDHZWSL-SNVBAGLBSA-N	319.876	1.090	50	20	DDGD	
Cc1noc(C2CC2)c1C(=O)NNC(=O)c1cccc(C#N)c1	129481731	HSSJAQYWBASXJZ-UHFFFAOYSA-N	310.313	1.807	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)n1	181444668	OEVUFKXCKWVPRE-GHMZBOCLSA-N	305.382	1.342	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCCCCCCO)cc1	180638909	BNTPNEMUDTWSHM-UHFFFAOYSA-N	304.350	1.055	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)C[C@@H]1CCC[C@H](C)C1	77164054	NXVWNSBOTLICDR-NWDGAFQWSA-N	311.426	1.655	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(-c3ncn[nH]3)cc2)o1	186052690	HCCAYWNMIXLXHE-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)CNC(=O)OCC(F)(F)F	184297454	ITUQYWMDQANLDO-UHFFFAOYSA-N	323.246	1.866	50	20	DDGD	
CC(C)n1cc(C(=O)NNC(=O)c2cccc(N(C)C)c2)cn1	188611902	HJCKROAMHBUUCP-UHFFFAOYSA-N	315.377	1.605	50	20	DDGD	
CO[C@@H]1[C@H]2C[C@@H]3CN(S(=O)(=O)CBr)[C@H]1[C@H]3C2	375679723	OCSREXOSODOXDH-CVPUBMOQSA-N	310.213	1.024	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CCc1ccco1	36638543	DSKLXKWRJUVFIK-LLVKDONJSA-N	320.320	1.966	50	20	DDGD	
COc1ccc2c(c1)C[C@H](C(=O)NNC(=O)C(C)(C)C)CO2	127274502	AGHWCMPUTOEPDG-NSHDSACASA-N	306.362	1.440	50	20	DDGD	
COc1ccc(-n2nnc(C(=O)NNc3ccncc3)c2C)cc1	180492471	FILBUURAWOFCKP-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)CCc1ccccc1)[C@H]1CCCO1	132070278	DCPDYBIVYLEMOD-HUUCEWRRSA-N	319.405	1.907	50	20	DDGD	
O=C(CC[C@@H]1Cc2ccccc2NC1=O)NNc1ncccn1	44716976	GJQXNEKUBMMDGR-GFCCVEGCSA-N	311.345	1.511	50	20	DDGD	
O=C(NCc1cc(F)ccc1F)NNc1nc2ccccn2n1	188642035	SOLODIRRBMLFDR-UHFFFAOYSA-N	318.287	1.834	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccccc1-n1nc(C)cc1C	44209280	YOVRHOCBMZFVNT-UHFFFAOYSA-N	303.322	1.882	50	20	DDGD	
COc1nccnc1NNC(=O)Cc1ccc(-n2cccn2)cc1	132047564	LDYQHGIIOGXIPL-UHFFFAOYSA-N	324.344	1.357	50	20	DDGD	
O=C(NCCNC(=O)c1ccccc1F)NNc1ccccn1	194164863	UNGROXJEZDIMGS-UHFFFAOYSA-N	317.324	1.277	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(C)cc([N+](=O)[O-])c1	132046707	IBDXSDBMZUTXIP-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
O=C(NCCc1ccccc1F)NNc1nc2ccccn2n1	190502544	ZGCUMNVLFFIHPA-UHFFFAOYSA-N	314.324	1.737	50	20	DDGD	
C=CCC1(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CCC1	190432686	AAGOQMKQGSIHSC-CQSZACIVSA-N	316.357	1.720	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1cc(-c2cccs2)on1	192650206	AZPYDCMJPQITJK-UHFFFAOYSA-N	302.315	1.806	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNc2nc(-c3ccncc3)no2)O1	268076016	BSNNIEGPARKOEK-WDEREUQCSA-N	303.322	1.532	50	20	DDGD	
COc1ccc(NNC(=O)CCn2c(C)csc2=O)cc1	264142029	OJZPWNXWEFZEPK-UHFFFAOYSA-N	307.375	1.760	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2ccc(C(C)=O)cc2)n1	266971053	WSXWNHKFOBJGNU-UHFFFAOYSA-N	314.345	1.682	50	20	DDGD	
COCCn1cc(C(=O)NNC(=O)C2CCC2)c2ccccc21	264650460	BFUHLQCQBMIKBR-UHFFFAOYSA-N	315.373	1.849	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2CCCC[C@@H]2OC)n1	266954628	LBBKLEMRAKMCMQ-MNOVXSKESA-N	309.370	1.377	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@@H]1CCN(c2ccccc2F)C1	365618818	BCCLAEQOEQKLLG-GFCCVEGCSA-N	300.337	1.612	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NOC2CCCC2)c1	271685550	PPPBKFDUZGMQQP-UHFFFAOYSA-N	306.366	1.571	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](C)C1=CCN(C)CC1	273070588	ZKKXQOWXGFHIEW-CYBMUJFWSA-N	316.405	1.589	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)cc1	274206443	HOWGFEIPYTWTBJ-UHFFFAOYSA-N	323.349	1.580	50	20	DDGD	
NC(=O)COc1cccc(OS(=O)(=O)CCCCCl)c1	275419822	AAXYUNUGCNAHDI-UHFFFAOYSA-N	321.782	1.278	50	20	DDGD	
COCc1cccc(CC(=O)NNC(=O)NC2CCCC2)c1	275073962	VVRRYJUBKFMIQV-UHFFFAOYSA-N	305.378	1.649	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccnc(OC(C)C)c1	274138540	WWSHKCAPQLLPQN-UHFFFAOYSA-N	303.322	1.424	50	20	DDGD	
CSC[C@@H](C)C(=O)NNC(=O)CSc1ccccc1O	270679410	HKZWBSSOHNDZKR-SECBINFHSA-N	314.432	1.631	50	20	DDGD	
Cc1nnc([C@@H](C)NC(=O)NNc2ccc(Cl)nn2)s1	273641318	HKUZBTHIRSSEGA-RXMQYKEDSA-N	313.774	1.677	50	20	DDGD	
COc1cc(C(=O)N2CC=C(C#N)CC2)c([N+](=O)[O-])cc1OC	270985108	WDOUSXONFPCHPM-UHFFFAOYSA-N	317.301	1.908	50	20	DDGD	
COCCC[C@H](C)C(=O)NNC(=O)CNc1cccc(OC)c1	272194677	LGJABBQAZRDGSF-LBPRGKRZSA-N	323.393	1.317	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NOC[C@@H]1CCOC1)c1ccccc1	276201944	BRQGEMNJBZMTDH-GFCCVEGCSA-N	321.377	1.263	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H](C(=O)NNC(=O)Cc2cccnc2)C1(C)C	275770700	GXBWUUJABRYNKL-YPMHNXCESA-N	317.389	1.413	50	20	DDGD	
O=C(Cn1ncc2ccccc21)NNc1nnc(C2CC2)s1	273647078	WMVLIPPZFMTDSQ-UHFFFAOYSA-N	314.374	1.909	50	20	DDGD	
COCCN(C)NC(=O)CCc1c(C)nc(SC)nc1C	288554307	PTHNHQRXUWLPCP-UHFFFAOYSA-N	312.439	1.357	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1snnc1C1CC1	289466230	GVOZPCYNWUBGJV-UHFFFAOYSA-N	320.349	1.558	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)CCCc2ccccc2)O1	282206933	QJOBEMPJPNVGCS-IOASZLSFSA-N	304.390	1.970	50	20	DDGD	
CO[C@]1(C)C[C@@H](NC(=O)NNC(=O)c2cccc(C)n2)C1(C)C	280766030	DVMKLTBSJLIIDP-MLGOLLRUSA-N	320.393	1.538	50	20	DDGD	
COC(=O)N(C)NC(=O)COc1cccc(C(F)(F)F)c1	286391167	OSBUQVGJKAPYGW-UHFFFAOYSA-N	306.240	1.814	50	20	DDGD	
COc1ncncc1NC(=O)NNc1nccnc1C1CCC1	287257642	XDEAOZIIABKGIA-UHFFFAOYSA-N	315.337	1.691	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	283685666	IDQLVRJNNBRGCX-SNVBAGLBSA-N	319.333	1.232	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(C2CC2)cc1)[C@H]1CCCCO1	296768788	RDVTZDMUFYSIDF-CQSZACIVSA-N	324.402	1.443	50	20	DDGD	
C[C@@H](Sc1ccccc1C(=O)N1CC=C(C#N)CC1)C(N)=O	801180128	RYMFAHRDPURUKR-LLVKDONJSA-N	315.398	1.948	50	20	DDGD	
C[C@H](C(=O)NNc1ccccc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	298133785	GFSKLHPSBBGFIM-MRVWCRGKSA-N	315.373	1.693	50	20	DDGD	
Cc1nc(NC(=O)NNC(=O)CCCc2ccccc2)nn1C	297453131	QRKDSDOTWGWCLQ-UHFFFAOYSA-N	316.365	1.299	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Cc1ncccc1OC	806828217	LGRCCYFWMIDDIP-UHFFFAOYSA-N	315.329	1.103	50	20	DDGD	
C=CCc1cc(C(=O)NNC(=O)CC2CC2)cc(OC)c1OC	294254814	TWMFUCHIGUAWMG-UHFFFAOYSA-N	318.373	1.993	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNC(=O)c1ccc2ccccc2n1	806338028	KHWYYXYJEBGUJV-UHFFFAOYSA-N	322.324	1.217	50	20	DDGD	
CC(C)S(=O)(=O)CCNC(=O)NNc1ccccc1Cl	291882018	QKWLDGUOIXZKCF-UHFFFAOYSA-N	319.814	1.789	50	20	DDGD	
Cn1nc(C(=O)NNc2ccc(-n3ccnc3)nn2)cc1C1CC1	804951886	CFXUXPNXWRFWNY-UHFFFAOYSA-N	324.348	1.030	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccccc2)CC1)[C@H]1CCCCO1	295285724	DAESFPCYPLSWNQ-CQSZACIVSA-N	302.374	1.726	50	20	DDGD	
CCCNC(=O)NNC(=O)c1c[nH]c2c(C)cc(F)cc2c1=O	804305568	RZRCCUATPXPMPX-UHFFFAOYSA-N	320.324	1.330	50	20	DDGD	
CN(NC(=O)Cn1cnc2ccccc21)C(=O)OC(C)(C)C	297534699	DQGSJLVBSGDVCQ-UHFFFAOYSA-N	304.350	1.934	50	20	DDGD	
O=C(Cc1ccc2c[nH]nc2c1)NNC(=O)CC1CCCC1	806723221	FWFHVECGABIWGV-UHFFFAOYSA-N	300.362	1.833	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CC(=O)N(CCC(F)(F)F)C1	296774794	DMDPKJVQOLGIAG-VQHVLOKHSA-N	305.256	1.011	50	20	DDGD	
CN1C(=O)CC[C@@H]1C(=O)NNc1cc(C(F)(F)F)ccc1F	807151329	GVJVUSCBMKGCGG-SNVBAGLBSA-N	319.258	1.908	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NNC(=O)CCc1ccc(OC)cc1	292750393	QXOOWMOFHAFVPH-ACCUITESSA-N	317.345	1.219	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CC1CCSCC1	807369038	POQLJOCSPVWJEA-UHFFFAOYSA-N	318.439	1.456	50	20	DDGD	
C#CCCOc1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)cc1	295691878	ZDYOMEZBDGLUJE-OAHLLOKOSA-N	316.357	1.419	50	20	DDGD	
O=C(NCCCO[C@H]1CCOC1)NNc1cccc(Cl)n1	293120012	UXJDDXNQJCRUFU-JTQLQIEISA-N	314.773	1.557	50	20	DDGD	
Cc1nc2ccccc2c(=O)n1CC(=O)NCCCSC#N	816539642	OEWBWARPHXFCHI-UHFFFAOYSA-N	316.386	1.426	50	20	DDGD	
CO[C@H](C)[C@@H](C)NC(=O)NNc1ccccc1S(C)(=O)=O	811960307	TUGWVSDBALDNLN-NXEZZACHSA-N	315.395	1.140	50	20	DDGD	
O=C(O)c1ccc2c(C=NNC(=O)[C@H]3CCCS3)n[nH]c2c1	819821287	WADDJUMTHCQUTF-GFCCVEGCSA-N	318.358	1.607	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2ccc(F)c(F)c2F)c[nH]1	815853088	VIOJQGPHXUYRQZ-UHFFFAOYSA-N	313.235	1.976	50	20	DDGD	
O=C(CCc1cncs1)NNC(=O)Cc1ccccc1F	814409430	ILPYSTXVEALNJV-UHFFFAOYSA-N	307.350	1.605	50	20	DDGD	
Cc1cc(C)c(S(=O)(=O)NNC(=O)C2CCCC2)s1	814211287	XMIMVFRGTIFZIW-UHFFFAOYSA-N	302.421	1.865	50	20	DDGD	
CN(C)c1ccc(C2(C(=O)NNC(=O)NCC3CC3)CC2)cc1	815114881	NWYLIAPTFUXDJL-UHFFFAOYSA-N	316.405	1.525	50	20	DDGD	
O=C(NN=C1CCN(CCO)CC1)c1ccc2ccccc2n1	819801355	PSOCBUCHQBGYBJ-UHFFFAOYSA-N	312.373	1.409	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(C)n(C2CCCCC2)n1	810303171	UKJPNXANHDRCTI-UHFFFAOYSA-N	309.370	1.496	50	20	DDGD	
C[C@H]1C(=NNC(=O)c2ccnnc2)CC[C@H](C(=O)O)C1(C)C	817341661	WFCRQOQGTKOYLC-GXSJLCMTSA-N	304.350	1.719	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)Cc2cc[nH]n2)C[C@H]1C	814954745	LJQNREJTLKZLRO-ZWNOBZJWSA-N	306.366	1.424	50	20	DDGD	
Cn1nncc1NNC(=O)c1cc(-c2ccccc2Cl)on1	816770776	LDIJBWTZRSIHES-UHFFFAOYSA-N	318.724	1.880	50	20	DDGD	
Cn1nnc2c(C(=O)NNc3cccc(Cl)n3)ccnc21	817004456	CSSYWJXTTUBISC-UHFFFAOYSA-N	303.713	1.169	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ncncc1F)Oc1cccc(F)c1	814305516	CENFRTZANQOPJG-VIFPVBQESA-N	323.303	1.848	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2conc2C2CC2)c1O	810191269	UXIOJYPWNZCOMJ-UHFFFAOYSA-N	317.301	1.341	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)NC1CCCC1)N1CCCCC1	729347016	BOQHWAUGOOIEMQ-CQSZACIVSA-N	310.442	1.770	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@](C)(O)CSc1cccc(F)c1	823921684	AITWAJCPJKWAEJ-HZMBPMFUSA-N	316.398	1.013	50	20	DDGD	
C#C[C@H](NC(=O)NNc1ncc(Br)cn1)C(C)C	491485920	RKKQQSGUULSMFC-VIFPVBQESA-N	312.171	1.523	50	20	DDGD	
COC(=O)CCN(C(=O)/C(C#N)=C\c1cnn(C)c1)C(C)C	823314971	NGNOKJHAICLDRJ-QPEQYQDCSA-N	304.350	1.127	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)Cc1scnc1-c1ccccc1	823918164	ROYPANWGEXLSPK-NSHDSACASA-N	305.403	1.696	50	20	DDGD	
CSCCCCCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	826537102	IGXZWEPCHNOPGJ-WDEREUQCSA-N	303.428	1.275	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C)Cc1cc(F)c(F)c(F)c1	828739194	VDPSMMUFEUEYND-UHFFFAOYSA-N	317.311	1.339	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cccc(Nc2nccs2)c1	822556052	DAFRDNQIZJNLBN-JTQLQIEISA-N	306.391	1.844	50	20	DDGD	
CCN(CCO)NC(=O)c1csc(-c2ccc(O)cc2)n1	823859975	FYXQIXLROVGPOL-UHFFFAOYSA-N	307.375	1.475	50	20	DDGD	
CN(C)CC(=O)NN=Cc1cn(CCC#N)nc1-c1ccccc1	727649928	RBKJNNHZQZSFDG-UHFFFAOYSA-N	324.388	1.475	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)C1C(C)(C)C1(C)C	494743507	ZVMYXDDKTFQECD-UHFFFAOYSA-N	313.398	1.341	50	20	DDGD	
CC(C)C1(CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1	820032451	NWWHMDJBVAOKJZ-UHFFFAOYSA-N	315.381	1.929	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NN(C)C(=O)OC	496687218	ZKKOTYLIYOZNDB-SNVBAGLBSA-N	317.386	1.751	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=C(C)COCC	497099877	YVEDYXCBPRVJSZ-GFCCVEGCSA-N	311.382	1.432	50	20	DDGD	
CC(C)(CCC(=O)NNC(=O)NC1CCCCC1)[N+](=O)[O-]	822194858	XAJTVWWFSVFLFH-UHFFFAOYSA-N	300.359	1.485	50	20	DDGD	
CN(C)CCn1ccc(NC(=O)[C@@]2(C)C[C@H]2Br)n1	820103021	PELRFQBGSIJHNI-SKDRFNHKSA-N	315.215	1.557	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1ccccc1C(=O)OC	495275502	IATUJDCLONSVNR-UHFFFAOYSA-N	323.349	1.443	50	20	DDGD	
CC(C)(C)[C@H]1OCCC[C@@H]1CNCc1ccc(B(O)O)cc1F	585024231	VONKSSDLKNCGMR-CJNGLKHVSA-N	323.217	1.436	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cnc(Oc2ccccc2)cn1	495765952	ZVVYDMDPQCITMT-UHFFFAOYSA-N	302.290	1.612	50	20	DDGD	
CC(=NNC(=O)c1cc(C)[nH]n1)[C@@H](C)NC(=O)OC(C)(C)C	495891895	LRRYVDWTWAYONI-SECBINFHSA-N	309.370	1.737	50	20	DDGD	
COC(=O)N(C)NC(=O)C(C)(C)CNC(=O)OC(C)(C)C	495691461	BGBDFFQGBWGLQV-UHFFFAOYSA-N	303.359	1.267	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)c1cc(Cl)ccc1O	823975278	ZYEJQDYDLROSLV-LLVKDONJSA-N	300.742	1.622	50	20	DDGD	
C[C@H]1[C@@H](C(=O)NNc2ncccn2)CCN1C(=O)OC(C)(C)C	496251777	FDDZGNKSQIVIKZ-QWRGUYRKSA-N	321.381	1.565	50	20	DDGD	
O=Cc1ccc(OC(F)(F)C(=O)NNC(=O)C2CCC2)cc1	732141799	QGRLLLLFPVAEDX-UHFFFAOYSA-N	312.272	1.418	50	20	DDGD	
Cc1cc(Br)c2c(c1)C(=NNC(=O)C1CC1)C(=O)N2	735609427	SNMKONLDYVUWLN-UHFFFAOYSA-N	322.162	1.940	50	20	DDGD	
CC1=C(C)C(=O)N(CCC(=O)NNc2ccc(F)cc2C)C1=O	901165341	RYKBCAZPAKFKOO-UHFFFAOYSA-N	319.336	1.673	50	20	DDGD	
O=C(N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)c1cc(B(O)O)ccc1F	584935338	HIAMUZIKLZTVNU-BVEFZAQCSA-N	317.169	1.060	50	20	DDGD	
CSCC(=O)Nc1ccc(OS(=O)(=O)CCl)cc1	830190200	KGZZVHKCKWXANA-UHFFFAOYSA-N	309.796	1.893	50	20	DDGD	
CC(=NNC(=O)Cc1cccnc1)c1cccc(-c2nn[nH]n2)c1	735446673	DCPKWQXMNAQZCS-UHFFFAOYSA-N	321.344	1.345	50	20	DDGD	
CCOCCCC(=O)NNc1ccccc1S(C)(=O)=O	732302669	MTUHDGWUFQCYFQ-UHFFFAOYSA-N	300.380	1.350	50	20	DDGD	
CC(C)[C@@H](NC(=O)O)C(=O)NNC(=O)CCc1ccccc1	736373217	BHVHSMLCTRMJHO-CYBMUJFWSA-N	307.350	1.059	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)[C@H](C)CN1CCCCCC1	834932608	FVYJJMGMCBLFON-CYBMUJFWSA-N	320.441	1.569	50	20	DDGD	
O=C(NC1(Cc2ccccc2)CCC1)c1cccc(B(O)O)c1	584962742	QAMISSYCSSYWBB-UHFFFAOYSA-N	309.174	1.262	50	20	DDGD	
COC(=O)c1ccc(C(C)=NNC(=O)N2CCOCC2)c(C)c1	905441500	ZGXXMBURDUXVMV-UHFFFAOYSA-N	319.361	1.547	50	20	DDGD	
O=C(CNC(=O)N1CCCC1)NNc1cc(F)c(F)c(F)c1	901168526	GDFRSMBGPCEQNK-UHFFFAOYSA-N	316.283	1.352	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C2CCN(C)CC2)ccc1F	909277610	JRAXYWFEDIMCJU-UHFFFAOYSA-N	309.341	1.397	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)c1	905104909	YYEHZRGHIZEWOZ-RAIGVLPGSA-N	303.387	1.538	50	20	DDGD	
CCN(CC)c1ccc(C=NNC(=O)c2ncon2)cc1F	901289321	FRXQKZGMGGGNQD-UHFFFAOYSA-N	305.313	1.819	50	20	DDGD	
O=S(=O)(CCl)N1CCC[C@@H](Oc2ncccc2F)C1	831304888	WBUPDHIHSVQRMN-SECBINFHSA-N	308.762	1.590	50	20	DDGD	
O=C(O)NNS(=O)(=O)c1ccc(F)c(Br)c1	833280584	LXMAWMIRRRANMY-UHFFFAOYSA-N	313.104	1.049	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCC[C@@H]1CCc1ccccc1	584933281	YTSKNHDZXICFJK-GOSISDBHSA-N	323.201	1.604	50	20	DDGD	
C[C@H](NCc1ccccc1B(O)O)[C@@H](c1ccccc1)N(C)C	585037218	WNGOKTLIIDHTCA-KSSFIOAISA-N	312.222	1.147	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C#CC(C)(C)C)c1	837311038	QTGOWHPABIEDEB-UHFFFAOYSA-N	304.346	1.514	50	20	DDGD	
CC(C)(NC(=O)O)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	833460580	DMHZXBQPXVGCLY-UHFFFAOYSA-N	316.701	1.738	50	20	DDGD	
CCS(=O)(=O)N[C@@H](C)C(=O)NNc1ccc2ccccc2n1	831749605	CAOFVEQCYFOHCH-JTQLQIEISA-N	322.390	1.006	50	20	DDGD	
CO[C@H]1COCC[C@@H]1CNC(=O)NNc1ncc(F)cc1F	838658759	KXMLWRGMQZRTPJ-KCJUWKMLSA-N	316.308	1.037	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1	731852600	CNIYTMWEICYDEK-CABZTGNLSA-N	316.361	1.828	50	20	DDGD	
Cc1nn(-c2cccc(F)c2)cc1C(=O)NNC(=O)C(C)C	839474586	UWLJHYAZOBXSNP-UHFFFAOYSA-N	304.325	1.737	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C	910162295	FTWZHZHSBGMXLF-VXGBXAGGSA-N	315.414	1.120	50	20	DDGD	
CC(=O)N[C@@H](C)C(=O)NNc1ccc(Br)cc1C	748736859	IXYYFSSVYWKKAH-QMMMGPOBSA-N	314.183	1.725	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)COCCc1ccccc1	746889330	FWAMMUQFFBDLAZ-UHFFFAOYSA-N	309.435	1.540	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)COC(=O)CC2CCC2)c1	745572730	FGMLZJTWHKXSGX-UHFFFAOYSA-N	315.329	1.053	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@@H](CO)C1CCCCC1	916631287	NPCHFMOPCHXIET-AWEZNQCLSA-N	305.378	1.572	50	20	DDGD	
Cc1cccc(OCC(=O)NN=C2COc3cc(O)ccc32)c1	915940919	LIJLKAMQGRMJGG-UHFFFAOYSA-N	312.325	1.992	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C	748615247	PDXZIHDZPCETTA-FDYHWXHSSA-N	315.414	1.193	50	20	DDGD	
C[S@@](=O)Cc1cccc(C(=O)NNC(=O)C2CCCC2)c1	914849371	YXVFYMUAILYCAQ-OAQYLSRUSA-N	308.403	1.516	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CCCOc2cccnc2)n1	742511359	PHFGAGSVHCMSOP-UHFFFAOYSA-N	301.350	1.791	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)COc1cc(C)cc(C)c1	916093948	AJNLZMJXPFUHOZ-UONOGXRCSA-N	306.362	1.255	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCn1cccc1	746098643	WTRUPAXZKCPNFR-LBPRGKRZSA-N	319.336	1.632	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1cccc(Cl)c1	842586613	OJOBFYHUFPPZPE-KCJUWKMLSA-N	318.782	1.075	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)CNC(=O)c2ccco2)C12CCC2	741163210	QIUJHOQZUTVGNE-ZDUSSCGKSA-N	319.361	1.461	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NC[C@H]2CCCOC2)cc1	844904973	GZFZRPAGSXCHQT-CYBMUJFWSA-N	321.377	1.455	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccs2)cc1C	916561766	DCCFETHTYVXJKR-UHFFFAOYSA-N	317.370	1.765	50	20	DDGD	
CCC1(CC)[C@@H](NC(=O)NNC(=O)c2ncccn2)C[C@H]1OC	841582134	PCQHZELUUVFIPC-WDEREUQCSA-N	321.381	1.014	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1cnn(-c2ccccn2)c1N	848083658	JYKMYCUPNZLVCN-UHFFFAOYSA-N	314.176	1.725	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CCCNCC2)c1	841977562	NAUGISWZMXAEOV-LBPRGKRZSA-N	306.366	1.241	50	20	DDGD	
CNCCCNC(=O)NNC(=O)CSc1ccc(C)cc1	841914705	IPZLPIRJDZDYLO-UHFFFAOYSA-N	310.423	1.027	50	20	DDGD	
O=C(NC[C@@H]1CNCCO1)NNc1cc(Cl)ccc1Cl	842011540	PTPUPMIZTKGQCB-VIFPVBQESA-N	319.192	1.608	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1cccc(O[C@@H](C)CC)c1	849303737	JKWGSZXTIXEDLA-JTQLQIEISA-N	300.380	1.583	50	20	DDGD	
CCc1cccc2c1N(CC(=O)NNC(=O)C(C)(C)C)CC2	744399247	HHSPUEKYGWJUKR-UHFFFAOYSA-N	303.406	1.805	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H]2CC[C@@H](CN)C2)c(F)c1	842009992	GVIUROWYSSFBHX-MWLCHTKSSA-N	324.356	1.366	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1ccc(C2CC2)cc1	841615158	XAOLRAAWERJCEW-CQSZACIVSA-N	315.417	1.982	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1	843639364	HVPGJUWUUGMDQP-VRXNHQPZSA-N	319.317	1.180	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@H](C)c2ccco2)c1O	743316464	BDKJCEHWZNYAMO-SECBINFHSA-N	304.302	1.559	50	20	DDGD	
CCN1CC[C@@H](OC(=O)[C@H](Br)C(C)(C)C)C1=O	849755785	BJQPZFUDFUGRBW-BDAKNGLRSA-N	306.200	1.960	50	20	DDGD	
O=C(OC[C@H](CBr)C1CC1)c1cc(=O)cc[nH]1	924134645	GYIBZHGXCJBOFU-VIFPVBQESA-N	300.152	1.953	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CCO[C@@H](C(C)C)C2)n1	929309089	PSMZOGAAFDQJJW-ZIAGYGMSSA-N	322.409	1.099	50	20	DDGD	
Cc1[nH]ccc1C(=O)OCC(=O)NNC(=O)c1cccs1	750531135	ZAOPCUSAQRZSAH-UHFFFAOYSA-N	307.331	1.003	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccccn2)cc2n[nH]cc12	757816619	AKKPKGCWBCIUDR-UHFFFAOYSA-N	310.317	1.733	50	20	DDGD	
CCc1cccc(C(=O)NNC(=O)c2cccc(C#N)c2)c1O	751388548	KLOGHZZMCKQDJR-UHFFFAOYSA-N	309.325	1.901	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=Cc2cccc(C(N)=O)c2)c1	755526753	PPFBIQAKBSKRHF-UHFFFAOYSA-N	310.357	1.615	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=S)NC[C@H]2CCCCO2)cc1	758217646	VTNOATPTKUBHGE-CYBMUJFWSA-N	318.402	1.236	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N=c1cc[nH]cc1F)c1ccccc1	759997874	ZWXPXWUGEIOKJE-UHFFFAOYSA-N	316.336	1.773	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2ncccc2C)cn1	750305606	JKTKDLBMOIDJBE-UHFFFAOYSA-N	317.374	1.425	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1cc(C(N)=O)cs1	755886843	PRLBSXBTMKFJAA-NSHDSACASA-N	322.434	1.419	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)c2cccc(Cl)n2)cc1C1CC1	857324007	ALSFZUXFOSDVEW-UHFFFAOYSA-N	319.752	1.421	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)c2cnccn2)C[C@H]1C	758098459	ROKNDLAIZWLPGB-ZYHUDNBSSA-N	304.350	1.562	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NC[C@H](O)c1cccnc1	752618358	SSOGYSWUOFSKHV-VCHSTOLQSA-N	311.316	1.977	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)NC(=O)CS2	755548645	BAGDRGHZRQYTCU-MRVPVSSYSA-N	322.390	1.930	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1n[nH]c2c1CCCCC2	855089558	WGSDJSXVHQEQCF-UHFFFAOYSA-N	321.450	1.588	50	20	DDGD	
C[C@@]1(CNC(=O)NC[C@@]2(C)CCC(=O)N2)C[C@H]1Br	856862474	AKMGTSRCYYBCEE-JFUSQASVSA-N	318.215	1.128	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H]1CC(C)(C)Oc2ccccc21	854927425	HPWRWWIDGIYGHB-NSHDSACASA-N	307.419	1.799	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)NC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12	853876484	NYKOMTFYZIHSIN-OSTYVCCYSA-N	304.325	1.209	50	20	DDGD	
CCc1nc(NC(=O)NNC(=O)c2ccccn2)sc1C	756804206	JSOVIZUDVSVJED-UHFFFAOYSA-N	305.363	1.875	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCc2nc3c(s2)CCC3)cn1	927651272	HIMVEAAXAAYCAV-VZUCSPMQSA-N	313.386	1.589	50	20	DDGD	
CCN1CCC[C@@H]1CNC(=O)NC[C@]1(C)C[C@@H]1Br	856870174	PZGPXBAIISUHRP-MDZLAQPJSA-N	318.259	1.943	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCc1cnn(-c2ccccc2)c1	854928366	VSDZNZAGUYDIHJ-UHFFFAOYSA-N	317.418	1.272	50	20	DDGD	
CCS(=O)(=O)NCC(=O)NNc1ccc(Cl)c(C)c1	928340833	FTXYLOMOGDAYLF-UHFFFAOYSA-N	305.787	1.031	50	20	DDGD	
COc1ncc(C(=O)NC[C@@]2(C)C[C@@H]2Br)cn1	857399485	WIXMSGIKJWTNQX-GZMMTYOYSA-N	300.156	1.389	50	20	DDGD	
Cc1cc(CCC(=O)NNC(=O)c2cc3c(s2)CCC3)no1	929276495	AFVGNGAVOVNDDH-UHFFFAOYSA-N	319.386	1.927	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCc1ccccc1C(=O)OC	759758603	SWZSPLAZTOWTIG-UHFFFAOYSA-N	321.402	1.087	50	20	DDGD	
C[C@H]1CN(C[C@@H](C)C(=O)NN=CC2CCOCC2)C[C@@H](C)O1	755588264	OXRKVUGMQCZUCQ-MCIONIFRSA-N	311.426	1.260	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)c1cn[nH]c1	757727775	VGGWEVSZOCBBAD-QMMMGPOBSA-N	318.293	1.023	50	20	DDGD	
CCn1nc(NC(=O)NNC(=O)c2cnccn2)cc1C1CC1	756886318	NCCVMNDFFOWRKI-UHFFFAOYSA-N	315.337	1.037	50	20	DDGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNC(=O)OCC(F)(F)F)C1	856020508	JZAUEJTXQGHBIB-RKDXNWHRSA-N	312.288	1.901	50	20	DDGD	
COc1ccc(C)cc1[C@@H](C)NC(=O)NNC(=O)c1cn[nH]c1	858096324	ZTDHLVROOCIZSD-SNVBAGLBSA-N	317.349	1.432	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@H]1CCCN1C1CCCC1	855090827	RLOWLRBELRPJHY-CQSZACIVSA-N	324.494	1.689	50	20	DDGD	
C[C@@](O)(Cc1ccccc1)C(=O)NNc1ncc(F)cc1F	857533379	WMUWNUKUXBGDHS-OAHLLOKOSA-N	307.300	1.797	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H]2C[C@@H](OC)C2(C)C)n1	753428889	HRSLRBFNYDRVFR-VHSXEESVSA-N	309.370	1.233	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)Cc2cc[nH]n2)CCc2ccccc2C1	755287010	STRSYDVJDXQCDZ-KRWDZBQOSA-N	312.373	1.295	50	20	DDGD	
COc1cc(C(=O)NN[C@H](C)C(F)(F)F)ccc1[N+](=O)[O-]	862308611	GJDHMDSMUFWKIH-ZCFIWIBFSA-N	307.228	1.789	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H]1CCCC12OCCO2	867525835	DIGZWJKVQYQMDQ-SNVBAGLBSA-N	311.831	1.466	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(Cl)c2c(c1)OCO2	764470172	VZQVRTTYVOXKQU-UHFFFAOYSA-N	322.708	1.624	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)C1(F)CCOCC1	864514964	YHRYJCURHYSHQP-UHFFFAOYSA-N	314.744	1.549	50	20	DDGD	
N#CC1(C(=O)NNCC(F)(F)C(F)(F)F)CCOCC1	863096123	WHTZTVGKUDQEDW-UHFFFAOYSA-N	301.215	1.125	50	20	DDGD	
Cc1ccn(-c2ccc(C(=O)NNC(=O)c3cc(C)[nH]n3)cc2)n1	765588377	YTIQKURKTNBVCE-UHFFFAOYSA-N	324.344	1.287	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1csc(-c2ncccc2F)n1	768265903	GXEVNMCJSHEZMM-UHFFFAOYSA-N	306.322	1.515	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1cn[nH]c1)N1CCc2ccccc21	862470044	XTPYHLZNZOVTPB-NSHDSACASA-N	313.361	1.012	50	20	DDGD	
CCOC(=O)[C@@H](Cc1ccc(F)cc1)NNC(=O)CC1CC1	863374341	NJCFQGPKHPNRCS-CQSZACIVSA-N	308.353	1.721	50	20	DDGD	
COc1cc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)on1	763833757	FVHKRLROCHJEQK-UHFFFAOYSA-N	319.317	1.140	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cc(-c2ncco2)ccc1C	763441590	MMMKUXMMVJHQSV-UHFFFAOYSA-N	316.317	1.146	50	20	DDGD	
Cc1cccc(NNC(=O)CCn2cc(Br)cn2)n1	862523800	NYOUKBBDXVBKBF-UHFFFAOYSA-N	324.182	1.882	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC2(OC)CCC2)cc1	1117942250	SXGODZWVTNKUKH-UHFFFAOYSA-N	307.350	1.208	50	20	DDGD	
CCCN1CCCC[C@H]1C(=O)NNc1ccc(C(=O)OC)cn1	1116395874	SVPIAYKNGFTGMA-ZDUSSCGKSA-N	320.393	1.576	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccc(C)c(Cl)c2)nn1	1117971394	RIBVLEPUFGTIKA-UHFFFAOYSA-N	309.757	1.643	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1CCO[C@@H](c2cnn(C)c2)C1	1117775409	PSQKVEYKRXLFAI-SNESEAJLSA-N	304.350	1.200	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C2CCCC2)cnn1C1CCOCC1	766791458	DDFXIMWFJNHTKJ-UHFFFAOYSA-N	320.393	1.494	50	20	DDGD	
Cc1nc(-c2ccccc2NC(=O)NNC(=O)C2CC2)no1	764620138	LYGDKYOSTDPJEW-UHFFFAOYSA-N	301.306	1.608	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@H](c2ccco2)N(C)C)cc[nH]1	874996307	ZLRMJWANMXENOU-CYBMUJFWSA-N	303.366	1.334	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1c(F)c(F)cc(F)c1F	875355397	CYUFIRCFLUFDNT-UHFFFAOYSA-N	309.219	1.655	50	20	DDGD	
CCCn1cc(C=NNC(=O)COc2ccc(C)c(C)c2)nn1	872328895	CFECWGNRJUFCQO-UHFFFAOYSA-N	315.377	1.834	50	20	DDGD	
COCCCCCNC(=O)NNc1nncc(N)c1Cl	1116294260	DZTSIYZUSLNADX-UHFFFAOYSA-N	302.766	1.155	50	20	DDGD	
COC[C@H](NC(=O)NN=c1cc[nH]c(C)c1)c1ccc(C)o1	875334779	OHTHNPPPTDOQLF-ZDUSSCGKSA-N	304.350	1.727	50	20	DDGD	
Cc1ccc(NC(=O)c2ccc(B(O)O)cc2)cc1N1CCCC1	874942260	IXNXYFCZRGOZTJ-UHFFFAOYSA-N	324.189	1.527	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)c2ccnnc2C)c1	1119054729	VXGQGSYMKUWSHE-UHFFFAOYSA-N	311.370	1.398	50	20	DDGD	
CS[C@@H](C)CCC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	772240903	XQYKUGJHKNFNDP-QWRGUYRKSA-N	318.439	1.643	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@H]2Cc3ccccc3O2)n1	779971939	GXBXWCWJHZXMLF-GFCCVEGCSA-N	314.345	1.720	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)CCC2	771937753	FSCOBESXNCNKTN-SNVBAGLBSA-N	304.346	1.278	50	20	DDGD	
C=CCSc1ccccc1C(=O)NNC(=O)C(=O)NC(C)C	777230891	KVXVFLFVPUVNQT-UHFFFAOYSA-N	321.402	1.250	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2ccc(C#N)[nH]2)c1	776527313	TWWJHOIRWNREPO-UHFFFAOYSA-N	304.331	1.047	50	20	DDGD	
Cc1nn(CCC(=O)NCCCSC#N)c(C)c1[N+](=O)[O-]	773592114	AYNPRBKTNUVAIE-UHFFFAOYSA-N	311.367	1.519	50	20	DDGD	
CC[C@H](C)[C@H](C)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	772257899	TXXYCUJSABFPAS-SDDRHHMPSA-N	300.399	1.794	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@](C)(CO)Cc1ccccc1OC	870937733	RVKCBGUYXPPNPA-GWKQRERASA-N	318.373	1.549	50	20	DDGD	
O=C(NNC(=O)N1CC[C@@H](CF)C1)c1cccc2cccnc12	883462760	ZDJVBBKZEDRQEW-NSHDSACASA-N	316.336	1.881	50	20	DDGD	
Cn1c(CC(=O)NN=C2CCCOCC2)nc2ccccc21	770596058	BOPFEHYELTWLFO-UHFFFAOYSA-N	300.362	1.789	50	20	DDGD	
C#CCCCC(=O)NNC(=O)/C=C\c1ccc(O)c(OCC)c1	887147106	XXXVLHJDSHXQOP-LUAWRHEFSA-N	316.357	1.755	50	20	DDGD	
Cc1[nH]ccc(=NC(=O)NNC(=O)c2ccccn2)c1Cl	771764587	AEBYNINTRFOTDW-UHFFFAOYSA-N	305.725	1.327	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@@H]1C[C@H]1c1cccc(F)c1	883224549	OALGHRCCUQZCDA-UONOGXRCSA-N	321.352	1.439	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2cccnc2Cl)n(C)n1	784843119	ALIILRYSGFKGHH-UHFFFAOYSA-N	322.756	1.113	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1c[nH]nc1-c1ccsc1	780973915	KVXHJJQPCANLEJ-UHFFFAOYSA-N	304.310	1.824	50	20	DDGD	
Cc1ccc([C@H](O)[C@H](C)NS(=O)(=O)CCCCl)cc1	882190785	NYOQVFQBDYFVGX-WCQYABFASA-N	305.827	1.965	50	20	DDGD	
COc1cccc(NNC(=O)Cc2ccc3c(c2)OCCO3)n1	780772686	WUQHGNHNMAHGIR-UHFFFAOYSA-N	315.329	1.547	50	20	DDGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2nnnn2C2CC2)cc1	898988723	WAOIUOWWGAILPI-JYRVWZFOSA-N	309.329	1.967	50	20	DDGD	
CNC(=O)NNC(=S)Nc1ccccc1OCC(F)(F)F	899460352	UCRVNBHUXACUEA-UHFFFAOYSA-N	322.312	1.758	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(C#N)c(O)c2)c(O)c1	785408118	AUQTYEGTCYJIHY-UHFFFAOYSA-N	311.297	1.353	50	20	DDGD	
CC1(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)COC1	782189194	OLOSUALNIUKQJI-UHFFFAOYSA-N	306.406	1.777	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccccn2)c(-c2ccoc2)n1	789867729	IHQPHLZRXWAUHG-UHFFFAOYSA-N	311.301	1.150	50	20	DDGD	
CC(C)c1cc(NC(=O)C(=O)NNc2ccnc(F)c2)no1	784852050	PYHKTDLCERYDEK-UHFFFAOYSA-N	307.285	1.414	50	20	DDGD	
CCCN(CCC)C(=O)CCC(=O)NNc1ccc(C#N)cn1	899662469	VQKJQNONFGOFLS-UHFFFAOYSA-N	317.393	1.825	50	20	DDGD	
C#CCCCCCC(=O)OCC(=O)NNC(=O)c1ccccc1	780256913	OLAMJNOXGZSTKL-UHFFFAOYSA-N	316.357	1.575	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cccnc1C(F)(F)F	788587362	IGJIHKCHFAUZBE-UHFFFAOYSA-N	313.239	1.207	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCc1nnnn1CC(F)(F)F	786674826	DDJPLOFNESQMLG-FPYGCLRLSA-N	301.228	1.139	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cc(F)c(F)c(F)c1F	894093743	GIZBQHSGGGFXSI-UHFFFAOYSA-N	320.242	1.431	50	20	DDGD	
C[C@H]1COC(=O)C1=NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	794937669	ZNKDMVUUILQDHV-DTWKUNHWSA-N	310.737	1.772	50	20	DDGD	
C[C@@H](NNC(=O)c1cc([C@@H]2CCCN2C)[nH]n1)C(F)(F)F	897881328	RHZQRZPFQRYXGQ-XCBNKYQSSA-N	305.304	1.362	50	20	DDGD	
CCC1(O)CCC(NC(=O)NNC(=O)c2cccc(C)n2)CC1	793027815	NMCCLYHFZKEKPQ-UHFFFAOYSA-N	320.393	1.418	50	20	DDGD	
N#C/C(=C/c1ccc(OCc2ccncc2)cc1)S(N)(=O)=O	799894439	UYWRAYHMWPSMIU-DHDCSXOGSA-N	315.354	1.814	50	20	DDGD	
CC1(C)COc2c(C(=O)NNc3ncnc4[nH]cnc34)cccc21	790750307	FBSPNAIDWQYANO-UHFFFAOYSA-N	324.344	1.780	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cn(C)c2ccc(F)cc12	794850144	GFQPNFPMGBAKKW-UHFFFAOYSA-N	304.325	1.292	50	20	DDGD	
N#Cc1cc(F)c(C(=O)NNC(=O)NCC(F)(F)F)c(F)c1	798314902	GETLZLDBSGWGTM-UHFFFAOYSA-N	322.193	1.343	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@H]2N(C)CCCC2(C)C)o1	790544198	VMSAKTGLOAOGIV-ZDUSSCGKSA-N	322.409	1.652	50	20	DDGD	
C[C@H](NS(=O)(=O)CCCCl)c1nnc2ccccn12	37843150	GXUNXEQPYPMTGS-VIFPVBQESA-N	302.787	1.339	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccccc1N1CCCC1=O	1317743822	QEVUBFOGENMVBG-UHFFFAOYSA-N	303.362	1.621	50	20	DDGD	
C[C@@H]1CCCC[C@H]1NC(=S)NNC(=O)C[n+]1ccccc1	1318442622	VHNKOKJBSISAMM-CHWSQXEVSA-O	307.443	1.048	50	20	DDGD	
CCOc1nccc(C)c1C(=O)NNc1nncc(N)c1Cl	1321156673	HOGAZIJEBAKPQT-UHFFFAOYSA-N	322.756	1.571	50	20	DDGD	
Cc1cnn(C)c1C(=O)NNC(=O)c1cc2c(s1)CCC2	1325982120	QZOOAZCKSVBJMR-UHFFFAOYSA-N	304.375	1.354	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(F)c(C(=O)OC)c2)nn1C	1324689347	ARTMNZOTANKQMZ-UHFFFAOYSA-N	320.324	1.665	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNC(=O)c1ccccc1Cl	1321454669	UBHKDRMACFJGBM-UHFFFAOYSA-N	306.753	1.684	50	20	DDGD	
CO[C@@H]1CC[C@H](NC(=O)NNc2ccc3c(=O)[nH]ccc3c2)C1	1324911514	LQNGVVFVUAWZQQ-WCQYABFASA-N	316.361	1.722	50	20	DDGD	
C[C@@H]1[C@@H](C(=O)NNc2ccn(C)n2)CCN1C(=O)OC(C)(C)C	1325385963	NUOMWZJVGRNRQR-MNOVXSKESA-N	323.397	1.509	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC2CCC(OC)CC2)cc1	1330863950	CQLZWIBMWRGRHK-UHFFFAOYSA-N	321.377	1.597	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12	1336229413	SGZSJXQXWSSOET-UHFFFAOYSA-N	321.362	1.593	50	20	DDGD	
CCN(C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br)C1CC1	1331374882	MYCAAYWIJMDUNZ-BXKDBHETSA-N	303.200	1.287	50	20	DDGD	
COc1cccnc1C(=O)NNc1ccc(C(C)(C)C)nn1	1333427818	ATGSRXMHCOYQLE-UHFFFAOYSA-N	301.350	1.935	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CCC2	1337762840	RNWQMFMVYWJOTR-UHFFFAOYSA-N	313.357	1.065	50	20	DDGD	
Cn1cnc2cc(CNC(=O)NNC(=O)C3CCCC3)ccc21	1341294614	HTBNOGWHKRETRE-UHFFFAOYSA-N	315.377	1.594	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)N[C@H]1CCCCC12CCCC2	1348554891	HQINMFVQCAEZOW-AWEZNQCLSA-N	322.453	1.819	50	20	DDGD	
CCCc1ccc(C(=O)CCC(=O)NN(C)[C@@H](C)CO)cc1	1352229527	KMYCGGYJFQDFGW-ZDUSSCGKSA-N	306.406	1.946	50	20	DDGD	
CN1C(=O)Cc2cc(S(=O)(=O)N3CC=C(C#N)CC3)ccc21	1363965480	FHNVITJXUDMKSE-UHFFFAOYSA-N	317.370	1.050	50	20	DDGD	
O=C(NNC(=O)C12CC(C(=O)O)(C1)C2)c1cccc2ccccc12	1601553497	JXOHZZZRDYNFOW-UHFFFAOYSA-N	324.336	1.856	50	20	DDGD	
C[C@@H](O)c1ncc(C(=O)NNc2ncccc2C(=O)O)s1	1603269158	UPMWVHPVODDUQK-ZCFIWIBFSA-N	308.319	1.047	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cnc(Cl)cn1	1606857930	XPJFMGQNYKCGOE-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H](C(=O)O)C(C)(C)C	1605356232	FFQGMJMOXPUBJP-NSHDSACASA-N	307.350	1.895	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)ccc1F	1602286513	JQLDNQKXNDFWPX-FXBDTBDDSA-N	306.293	1.582	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2cccc(C(=O)O)c2F)c[nH]1	1600065275	HEYSWKYZEOAJPN-UHFFFAOYSA-N	305.265	1.278	50	20	DDGD	
C=CC[C@H](NNC(=O)[C@@H](C)Oc1cccc(Cl)c1)C(=O)O	1602843388	XXUQUTJSTQBRHB-SKDRFNHKSA-N	312.753	1.757	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=C2C[C@H]3C[C@H](C(=O)O)[C@H]2C3)c1	1602433389	VDBOAMMCEOJLQP-FXAINCCUSA-N	316.313	1.601	50	20	DDGD	
O=C(COc1ccc(F)cc1)NN=C1CCC[C@@H](C(=O)O)C1	1601343448	XMNRBAQXDVDRAM-SNVBAGLBSA-N	308.309	1.952	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@@H]2CCCCO2)cccc1C(=O)O	1607546228	FMSRURJMWFZSCW-LBPRGKRZSA-N	321.333	1.415	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)Nc1cccc(C(=O)O)n1	1601557967	CUVLKWCXVDNIGE-UHFFFAOYSA-N	308.685	1.372	50	20	DDGD	
O=C(NC[C@H]1CCCCO1)NNc1ccc(C(=O)O)c(F)c1	1601482527	MYGANEMMRQVPFD-SNVBAGLBSA-N	311.313	1.719	50	20	DDGD	
COCC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1ccccc1	1549321373	RWQFGWOWCQJQHM-GOEBONIOSA-N	317.389	1.017	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@@H]1CN1C[C@@H](C)[C@@H](C(=O)N2CCOCC2)C1	1550641772	PEFGLMDHWCTPNR-HTOAHKCRSA-N	300.830	1.286	50	20	DDGD	
C[C@@H](N)[C@@H](C)NC(=O)NNc1cc(Br)ccc1F	1576105334	PGXCDUOKWOTQHG-RNFRBKRXSA-N	319.178	1.950	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CCCNCC2)c1C	1578877656	FPKCNBLNCICSPI-LBPRGKRZSA-N	320.393	1.550	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@H]1CCCCC[C@H]1N	1579306949	IWMARKYYPCKWDL-UONOGXRCSA-N	319.405	1.293	50	20	DDGD	
NC1CCN(S(=O)(=O)c2ccc(CCCl)cc2)CC1	1574270399	HTZGSIWJRHAFNG-UHFFFAOYSA-N	302.827	1.580	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1NCCC1(C)C	1576295355	LZNAVYOCBAGRMY-GXFFZTMASA-N	323.368	1.129	50	20	DDGD	
Cc1cc(F)c2c(c1)N[C@@H](C(=O)NNc1cc(C)nc(N)n1)C2	1579611853	WSNIGUXIKWVSOD-GFCCVEGCSA-N	316.340	1.295	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)CNCC(C)C)o1	1577693085	LIWVPLSWLJXYLR-UHFFFAOYSA-N	324.425	1.128	50	20	DDGD	
C/C(C#N)=C/Cn1cc(Br)cc(-c2nn[nH]n2)c1=O	1588924553	VNJPSURLXKKLNW-UQCOIBPSSA-N	321.138	1.261	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1ccccn1)C2	1845163577	FWDQMKQCEZEJKP-LBPRGKRZSA-N	321.808	1.916	50	20	DDGD	
C/C(Cl)=C\C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	1589905294	WKSAAAYKRAVJBD-GORDUTHDSA-N	314.136	1.501	50	20	DDGD	
Cc1ccc(C(=O)NN(C)c2ccccn2)cc1-c1nn[nH]n1	1581171207	YZVUUFHFCWLARC-UHFFFAOYSA-N	309.333	1.351	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)cc1	1594106032	KEKWRAJELVXMQI-ZJUUUORDSA-N	321.333	1.349	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)CCCOC)C2	1845162659	HRNKIYJHEVUZNW-GFCCVEGCSA-N	316.829	1.634	50	20	DDGD	
CCO[C@H](C(=O)NNc1cccc(C(=O)O)c1C)[C@H]1CCOC1	1596762437	RVAANACNMIMZLH-FZMZJTMJSA-N	322.361	1.578	50	20	DDGD	
COC(=O)[C@@H]1CN(C(=O)C2CCC(Cl)CC2)C[C@@H]1C(=O)O	1598806301	GNBFPXMHJVVDLW-WFBLGPOFSA-N	317.769	1.116	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1C[C@H]1C(F)(F)F	1593162545	SWFDFGOHGRMSDU-RKDXNWHRSA-N	312.255	1.508	50	20	DDGD	
CC1(C)OC[C@H]2C[C@@]21C(=O)NNc1ccc(F)c(C(=O)O)c1	1593975286	AOKSBGKPCYTWGQ-GLEZIHRCSA-N	308.309	1.782	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@H]1F)C(Cl)Cl	1799961845	WVUUHEHFRAJAKL-CVPUBMOQSA-N	323.195	1.786	50	20	DDGD	
C[C@@H](CNC(=O)NNc1cccc(C#N)c1)CN1CCOCC1	163324952	OXTMUJRFVCMUCM-ZDUSSCGKSA-N	317.393	1.153	50	20	DDGD	
Cc1ccc2cc(C(=O)NNC(=O)c3cccn3C)ccc2n1	157031064	JQCVQBGYDJUBEC-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)nc1	157713749	ODLOGBMDXPPWKD-YPMHNXCESA-N	306.366	1.674	50	20	DDGD	
O=C(NNc1ccncc1Cl)c1n[nH]c2ccccc2c1=O	154601851	YHKRUPVMIPAJNC-UHFFFAOYSA-N	315.720	1.728	50	20	DDGD	
C[C@@H]1OCCC[C@@H]1C(=O)NCCSSCCC(=O)O	2088603979	OLMAIIYEMKXGBO-UWVGGRQHSA-N	307.437	1.774	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1ccccc1F	3517902	KPGSMJOONGTORL-UHFFFAOYSA-N	318.304	1.674	50	20	DDGD	
CCOCCCC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	112824679	LORYHCHSWKYQST-UHFFFAOYSA-N	316.361	1.450	50	20	DDGD	
CCCc1noc(CCCC(=O)NNC(=O)CC(C)(C)C)n1	103197432	TUXCUKHFQXOHJA-UHFFFAOYSA-N	310.398	1.928	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cc(Cl)c2c(c1)OCCCO2	20915341	XXIIHYQMGKCLOJ-UHFFFAOYSA-N	312.753	1.918	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2cccc(-n3ccnn3)c2)n1	179924829	WLXUAUDHZAXHTP-UHFFFAOYSA-N	324.348	1.823	50	20	DDGD	
CC(C)C(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1ccccc1	54852163	LLCHZBXGPOILMQ-CQSZACIVSA-N	317.389	1.485	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNc1cccc2cnccc12	178490730	KAAICWMRAMBNDN-UHFFFAOYSA-N	300.362	1.840	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ccc(Cl)c(F)c2)cn1	175448509	UHTALECIYCPZFL-UHFFFAOYSA-N	308.700	1.730	50	20	DDGD	
Cc1oc(-c2cnn(C)c2)nc1C(=O)NNC(=O)C(C)(C)C	175738030	TXMZZPFYZIIGCB-UHFFFAOYSA-N	305.338	1.191	50	20	DDGD	
C[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=S)NC(C)(C)C	28716409	IEOVSEMVFDWELS-SNVBAGLBSA-N	322.434	1.099	50	20	DDGD	
NC(=O)NCCCCC(=O)NNc1cc(F)c(F)cc1F	172091023	HCULVQMFHMXYMU-UHFFFAOYSA-N	304.272	1.386	50	20	DDGD	
O=C(NCC1CC1)NNS(=O)(=O)C1=Cc2ccccc2CC1	64940316	LQJCLQCCVRIJCT-UHFFFAOYSA-N	321.402	1.517	50	20	DDGD	
CN(C)C(=O)c1cc(NC(=O)NNC(=O)C(C)(C)C)ccc1F	179897962	SIUFZJMGBSQSHJ-UHFFFAOYSA-N	324.356	1.726	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccc[nH]1)c1ccc(OC)cc1	179592666	NRUOLXJRMVTFFL-CYBMUJFWSA-N	301.346	1.978	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1	21770332	IICVRCBQPIERQE-UHFFFAOYSA-N	322.289	1.074	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cc(C)nn2C(C)(C)C)n1	65788874	ZYFDIXCTEXSNTA-UHFFFAOYSA-N	319.369	1.894	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)NCC(F)(F)F)c1OC	60415301	MVBBIHJJVHVYHL-UHFFFAOYSA-N	321.255	1.210	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cc(F)ccc2Cl)nn1	123715437	FTRKXZNCSMHJML-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H](C)OC[C@@H]2CCCO2)cc1	68754958	PYGHFRKCQJYLEV-DOMZBBRYSA-N	320.389	1.594	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2CCC[C@H](N(C)C)C2)n1	181479619	HROJRIVACOLYSU-NEPJUHHUSA-N	307.398	1.589	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NNC(=O)CC(C)(C)C)cc1	183273696	JXLGULFQNYIFTO-UHFFFAOYSA-N	306.366	1.635	50	20	DDGD	
Cc1ccccc1C(C)(C)C(=O)NNC(=O)Cc1cc[nH]n1	186123457	XESSVFCJSUFYTC-UHFFFAOYSA-N	300.362	1.386	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)C[C@H]1C=CCC1	186058920	ARPPMPOEIRUPEB-NSHDSACASA-N	324.402	1.898	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@H]1CCN(C2CCCCC2)C1=O	123206875	XSDIEUUAHAYQRG-LBPRGKRZSA-N	324.425	1.297	50	20	DDGD	
O=C(COc1ccc2c(c1)CCC2)NNc1ncc(F)cn1	123337231	GWDWFUBOAANNEG-UHFFFAOYSA-N	302.309	1.627	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2c[nH]nc2C2CC2)cc1	186934331	TXCVQLFFJUQFPD-UHFFFAOYSA-N	314.345	1.436	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2ccncc2Cl)c1	72934882	YVGYBFOCHXMXDE-UHFFFAOYSA-N	319.748	1.883	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@@H](C)CC2CCCC2)n1	74686612	KPRLYZBEIKILQN-NSHDSACASA-N	306.410	1.864	50	20	DDGD	
O=C1CCc2cc(C(=O)NNc3ncccn3)c(F)cc2N1	134883384	LVZCYCZFVLYWDW-UHFFFAOYSA-N	301.281	1.257	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)c2c(C)n[nH]c2C)s1	131568030	DWSCWGWXHMHJJV-QMMMGPOBSA-N	306.391	1.961	50	20	DDGD	
O=S(=O)(CCl)N1CCCN(Cc2ccccc2)CC1	323364700	YCTFYRQMPQTQRK-UHFFFAOYSA-N	302.827	1.720	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cccc(C(=O)NCCC)c1	132062579	BLDROJQWHNMIIM-UHFFFAOYSA-N	306.366	1.180	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Cc2ccncc2)c(C)c1	81025731	YMPZVQGUSNBIIC-UHFFFAOYSA-N	313.357	1.467	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2c(C)cccc2F)n1	193872576	BXMIVKHBFXSRMP-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccnc(-n2cccn2)c1	133925672	AVNQNXFEULYZTI-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cc(C3CC3)[nH]n2)cc1	192550760	JRAGLMCQTVIQLZ-UHFFFAOYSA-N	314.345	1.436	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)NCC2CC2)c1C	45459646	KSHFWRRFVQZDBJ-GFCCVEGCSA-N	305.378	1.811	50	20	DDGD	
COC(=O)C(C)(C)NS(=O)(=O)c1ccc(CCl)cc1	381654357	KSLKCBSCZXKRDD-UHFFFAOYSA-N	305.783	1.655	50	20	DDGD	
C[C@H](Cc1ccc(O)cc1)NC(=O)NNC(=O)c1ccc[nH]1	98029322	OFMFMKCQJGHEDE-SNVBAGLBSA-N	302.334	1.296	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1csc(-c2ccccn2)n1	255544246	ZMNZOCJSNUVHHK-FLIBITNWSA-N	314.370	1.875	50	20	DDGD	
O=C(NCCCOc1ccc(F)cc1)NNC(=O)C1CCC1	264752930	RMSYDRCIKBQULF-UHFFFAOYSA-N	309.341	1.725	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C[C@@H]2C=CCC2)cc1C	263671633	IQUVNHRBLCATSO-CYBMUJFWSA-N	315.373	1.746	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)N[C@@H]1CCSC1	266586923	XYWFJFFTKCJOAH-GFCCVEGCSA-N	309.391	1.039	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@@H]1CCOC2(CCC2)C1	269382754	YVGLQNZDZJXQGS-SECBINFHSA-N	311.773	1.858	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1C1CCCC1)c1ccccc1O	269731957	VDQVRRHBLWUBMC-CQSZACIVSA-N	317.389	1.560	50	20	DDGD	
CC[C@H](C)Oc1ccc(C(=O)NNc2nccn(C)c2=O)cc1	267438588	BRYCQHKZNAKUTK-NSHDSACASA-N	316.361	1.715	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNC(=S)Nc1ccc(C)c(C)c1	268318909	JBJXFFBPJMMQKS-NSHDSACASA-N	323.418	1.820	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)COc1ccccc1F	279614552	JMLGTHXZJMYADQ-GHMZBOCLSA-N	322.336	1.357	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1nnc(-c2ccccn2)s1)N(C)C	276478314	QHMNGONYBLYYOS-LLVKDONJSA-N	320.422	1.629	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@H]2CCO[C@@H](C)C2)cc1	272017681	VDOUPAWEPCEWEO-JSGCOSHPSA-N	320.389	1.590	50	20	DDGD	
CC1(C)CCC[C@@H]1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	274593532	IRFZGTVCMNMLCA-RISCZKNCSA-N	318.373	1.800	50	20	DDGD	
CC(=O)N[C@@H](CC(C)C)C(=O)NNc1cccc([N+](=O)[O-])c1C	272968962	RKHGIDHPRNCEJG-ZDUSSCGKSA-N	322.365	1.897	50	20	DDGD	
CC[C@H](C)[C@@H](NC(=O)NNC(=O)c1ccc[nH]1)C(F)(F)F	278655345	NVOMMFVZGDRINE-IONNQARKSA-N	306.288	1.936	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCc1cccnn1)c1ccccc1	278099517	YSVNDSDYJFUFNI-AWEZNQCLSA-N	313.361	1.501	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCN3CCC[C@@H]3C2)o1	375960084	HZYKKXGHCMLZTQ-NWDGAFQWSA-N	306.366	1.159	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H]2CCCCN2C2CCCC2)n1	373018055	IRCPNSCBDBVBND-ZDUSSCGKSA-N	319.409	1.725	50	20	DDGD	
C=C(CBr)CN1CCCN(C(=O)C2CC2)CC1	375661582	DFIDKWRYNLATHQ-UHFFFAOYSA-N	301.228	1.882	50	20	DDGD	
O=S(=O)(CCCCCl)N1C[C@H](CO)Oc2ccccc21	372717577	QFXFSUOYCFGYPZ-LLVKDONJSA-N	319.810	1.595	50	20	DDGD	
C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)NNc1ncccc1F	287703780	FXHKQHCWAMTNSU-WDEREUQCSA-N	323.372	1.636	50	20	DDGD	
N#CC1(C(=O)NNC(=O)COc2ccccc2F)CCCCC1	299144115	VJNAJKYRZNEMBH-UHFFFAOYSA-N	319.336	1.826	50	20	DDGD	
O=C(Cc1ccc(F)c(F)c1)NNC(=O)N=c1cc[nH]cc1	802035149	BJGGXVNGZGJVSS-UHFFFAOYSA-N	306.272	1.177	50	20	DDGD	
C[C@@H](Cc1ccc(F)cc1)C(=O)NNC(=O)N=c1cc[nH]cc1	802028473	YRQLVOIULZIJME-NSHDSACASA-N	316.336	1.674	50	20	DDGD	
CO[C@H](C)c1nsc(NC(=O)NNC(=O)CC(C)(C)C)n1	809926365	XGJARXDZOZEITH-SSDOTTSWSA-N	315.399	1.834	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc(Br)cc1O	299352181	VQORMRZZENVPSA-UHFFFAOYSA-N	315.167	1.962	50	20	DDGD	
Cc1onc(-c2cccnc2)c1C(=O)NNC(=O)CC1CC1	294325611	YOCZJZIWSAGSST-UHFFFAOYSA-N	300.318	1.606	50	20	DDGD	
C=CCc1cc(C(=O)NNC(=O)N(C)C)cc(OC)c1OC	299393825	SFIUMWGSCWVXIL-UHFFFAOYSA-N	307.350	1.348	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cnnn1CC)c1ccccc1	293591229	FCSDPVQLUNCYJE-LBPRGKRZSA-N	301.350	1.253	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1nc(Cl)ccc1Cl	295582918	OMKLEOKYHKUUPC-QMMMGPOBSA-N	318.160	1.719	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)C(=O)N2CCC(C)CC2)c1	293975434	RDCRZFXDBQGJJZ-UHFFFAOYSA-N	318.377	1.347	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(OCC(F)(F)F)cn1	296945897	BXIXCBPTZHDZKH-UHFFFAOYSA-N	307.272	1.246	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnc(C(C)(C)C)nc2)o1	807026593	BUYNIARJHHQLFK-UHFFFAOYSA-N	302.334	1.750	50	20	DDGD	
Cc1ccccc1OCCCC(=O)NNC(=O)[C@H]1CCCCO1	295552583	MBNHHLAJSZRYIB-OAHLLOKOSA-N	320.389	1.871	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H](c2ccccc2)OC1=O)c1ccc[nH]1	809549046	RIHFLEGGKYVVTJ-WCQYABFASA-N	313.313	1.080	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	802005104	VLFNPOHDDAMZAQ-SSDOTTSWSA-N	314.292	1.032	50	20	DDGD	
O=C(NNC(=O)C1(C(F)(F)F)CCC1)c1ccccc1O	295168753	LFCZDNBQLGIDNH-UHFFFAOYSA-N	302.252	1.886	50	20	DDGD	
Cc1nn(C)c2ncc(C(=O)NNC(=O)NC3CCCC3)cc12	299376742	XNXYPZASIMKAFC-UHFFFAOYSA-N	316.365	1.163	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCN(C)C2CC2)cc(C#N)n1C	299304833	BCAZIXJOMVRSKS-RIYZIHGNSA-N	311.389	1.323	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)C[C@@H](OC)c1ccccc1	295372034	SKVZBUCEQXCGIU-DGCLKSJQSA-N	314.407	1.371	50	20	DDGD	
NC(=O)Nc1cccc(C(=O)NNC(=O)Nc2ccccc2)c1	801986670	QSZYAPOSFFPLHM-UHFFFAOYSA-N	313.317	1.644	50	20	DDGD	
CSc1ccccc1[C@H](C)NC(=O)NNC(=O)[C@@H]1CCCO1	292735346	SUAKVEMJMLJGCM-JQWIXIFHSA-N	323.418	1.979	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1[nH]nnc1-c1ccccc1	801620481	HNVPONKZXSWGHY-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
O=C1CC(C(=O)NNc2ncccn2)(c2cccc(Cl)c2)C1	810058814	ZBWKBXRATVONIS-UHFFFAOYSA-N	316.748	1.874	50	20	DDGD	
CON(C)C(=O)C1CCN(C[C@H](C)CBr)CC1	812871500	IIXWBHQNCKQBIQ-SNVBAGLBSA-N	307.232	1.749	50	20	DDGD	
O=C(NNC(=S)NC1CCC1)c1cc(-c2ccccc2)[nH]n1	814191109	GVPHNIQSPFTYCU-UHFFFAOYSA-N	315.402	1.738	50	20	DDGD	
C[C@@H]1CCCC[C@H]1OCCNC(=O)NNc1ncncc1F	814283274	DDJBZRQETQZHOR-ZYHUDNBSSA-N	311.361	1.837	50	20	DDGD	
Cc1ccc2nc(C(=O)NNC(=O)Cc3cccnc3)ccc2c1	815410738	OUZITMCHVQWLHK-UHFFFAOYSA-N	320.352	1.942	50	20	DDGD	
O=C(CCc1ccccc1Br)NNc1nc[nH]n1	816631688	AFJFYVWAFQFLDJ-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
O=C(Cn1nnc(-c2ccccc2)n1)NN=C1CC[C@@H]1C1CC1	814704079	JFLOYKGTGUGSKO-CYBMUJFWSA-N	310.361	1.632	50	20	DDGD	
O=C(NNC(=O)N1CCO[C@@H]2C[C@@H]21)c1cccc2cccnc12	814291243	FSSLOVGAWGHTFP-QWHCGFSZSA-N	312.329	1.062	50	20	DDGD	
CS(=O)(=O)CC1CCC(=NNC(=O)C2CCCC2)CC1	814801127	BBGURSIGVBOOIX-UHFFFAOYSA-N	300.424	1.884	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)c2ccc(C#N)cc2)cs1	815150181	RSPMWCXWWMIBEU-UHFFFAOYSA-N	313.338	1.897	50	20	DDGD	
CC(C)Cn1ncc2cc(C(=O)NNC(=O)CC3CC3)cnc21	819114336	GFDJCUDWMFKNIU-UHFFFAOYSA-N	315.377	1.648	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CC[C@@H](C(=O)O)C2)cc(C#N)n1C	818772639	BNNJVRONXWEAED-CGGVXGFASA-N	312.329	1.045	50	20	DDGD	
CON1CCC(NC(=O)[C@@H](Br)C(C)(C)C)CC1	817698569	YAIQUSCEMGQFIS-SNVBAGLBSA-N	307.232	1.938	50	20	DDGD	
CCN(CC)C[C@H](C)NC(=O)NNC(=O)c1cccc(C#N)c1	729048242	DJUPASYMAIGKQH-LBPRGKRZSA-N	317.393	1.233	50	20	DDGD	
CC(=O)N[C@](C)(C(=O)NNc1ncc(F)cc1F)C(C)C	822243569	RJTOSAQBWAWFTF-ZDUSSCGKSA-N	300.309	1.354	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C/c2cn(C)nc2C(F)F)n1	491159125	HUMDDCMTMRXRDT-VMPITWQZSA-N	306.276	1.637	50	20	DDGD	
C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cccc2ccccc12	728436516	GVPDWZCWGVKFQC-LLVKDONJSA-N	319.386	1.228	50	20	DDGD	
CN([C@@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)CCl	725351555	OBVNJDNLBXLHNO-SECBINFHSA-N	312.819	1.454	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1	820709598	HVZNWJKLJBYLGB-XYPYZODXSA-N	313.398	1.483	50	20	DDGD	
CCOC(=O)NN=C(C)Cn1cc(C(F)(F)F)ccc1=O	492651405	CWTHZUCQNXYXCG-UHFFFAOYSA-N	305.256	1.989	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@@H](c1ccc(F)cc1)C(C)C	828101211	IPCCOUUOQKZCBW-OAHLLOKOSA-N	309.385	1.916	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCOCCF)c1F	824321503	QQARMSBGDBVSPU-UHFFFAOYSA-N	317.292	1.225	50	20	DDGD	
COC(=O)[C@H]1C[C@H](NC(=O)NNc2cccc([N+](=O)[O-])c2)C1	824177527	QGJXBJBAYYVWQM-CZMCAQCFSA-N	308.294	1.173	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H](O)C1CCCCC1	822730603	BSSTVBQMVLJVGT-AWEZNQCLSA-N	324.352	1.997	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@@H](NC(=O)NNC(=O)OC(C)(C)C)C1(C)C	494711180	NKCZAXJPLIQUMU-OPRDCNLKSA-N	301.387	1.785	50	20	DDGD	
COc1ncc(/C=C/C(=O)NNc2cccc(Cl)n2)cn1	492794620	FFBFVVVDKVMTGZ-AATRIKPKSA-N	305.725	1.690	50	20	DDGD	
CN(C)CC[C@@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(C)(C)C	491133149	OMYHTOMSLCRLRR-KQGZCTBQSA-N	317.437	1.810	50	20	DDGD	
O=C(NNC(=O)c1cc2n(n1)CCCC2)NC1CCCCC1	823644851	ILMRLFCAPLWIJZ-UHFFFAOYSA-N	305.382	1.496	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cc(C)on1	497243120	KAFQLBJMCDAWEH-GFCCVEGCSA-N	320.349	1.350	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)ncn1	496094955	SGLOOTDEWSCGDO-WDEREUQCSA-N	323.397	1.777	50	20	DDGD	
CCn1cc(C=NNC(=O)CNc2ccc(OC)cc2)c(C)n1	901130126	KFOVYBNAACWFRI-UHFFFAOYSA-N	315.377	1.782	50	20	DDGD	
COc1cc([C@@H](C)NCc2cccc(B(O)O)c2)ccc1F	585031566	HWWVDQPXHXWGLX-LLVKDONJSA-N	303.142	1.365	50	20	DDGD	
CCC[C@@H](CCCS(C)(=O)=O)C(=O)NNC(=O)OCC	496434704	VTQOKXSJGAXQBM-JTQLQIEISA-N	308.400	1.005	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(Br)c(O)c1	495821836	BCZJMPWOWOVMIC-UHFFFAOYSA-N	303.112	1.498	50	20	DDGD	
CC[C@H](C)CCNC(=O)NNC(=O)COc1ccc(OC)cc1	820873104	KTHSNFYSXPPXAN-LBPRGKRZSA-N	323.393	1.841	50	20	DDGD	
CCOC(=O)N[C@@H](C(=O)NNc1nc(C)cc(C)n1)C(C)C	490540989	SGIKZBSPTIEOBN-LLVKDONJSA-N	309.370	1.307	50	20	DDGD	
CC(=O)N[C@](C)(C(=O)NC[C@@]1(C)C[C@@H]1Br)C(C)C	826859608	UCQMMSUGJFVZKD-UHTWSYAYSA-N	319.243	1.827	50	20	DDGD	
Cc1cccc(NC(=O)CN(C)S(=O)(=O)CCl)c1C	829707980	DSRYNWMTKWYARZ-UHFFFAOYSA-N	304.799	1.700	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@H](C(=O)NN(C)C(=O)OC(C)(C)C)C1	496949912	NMOAZQXEHNHIRF-WDEREUQCSA-N	314.382	1.864	50	20	DDGD	
COc1ccnc(NNC(=O)NCCc2cccc(F)c2F)n1	732895097	VSXSVPXCFPSAIJ-UHFFFAOYSA-N	323.303	1.632	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)no1	824342239	NUZUGWXMGUNVBG-UHFFFAOYSA-N	313.321	1.735	50	20	DDGD	
OB(O)c1ccc(CN[C@H](c2ccccc2)[C@H]2CCCO2)cc1	585019357	KSKVJTSHMKRAAD-QZTJIDSGSA-N	311.190	1.376	50	20	DDGD	
O=C(NCB(O)O)c1ccccc1OCc1ccccc1Cl	585054314	JXKYKPPZKSFLCJ-UHFFFAOYSA-N	319.553	1.661	50	20	DDGD	
CCOC(=O)C[C@@H](C)S[C@@H](C)C(=O)NNC(=O)CC(C)C	734980901	CPOGPXMSWXLQMC-MNOVXSKESA-N	318.439	1.643	50	20	DDGD	
CCCC(CCC)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	839226358	VKKOTALAOGMOFP-CYBMUJFWSA-N	304.456	1.695	50	20	DDGD	
CO[C@@H](C1CC1)[C@H](C)NC(=O)NNC(=O)c1ccccc1F	836429350	QHLOHHUPSYRKHK-TVQRCGJNSA-N	309.341	1.583	50	20	DDGD	
CCC(=O)NNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1	491547599	BAIGKEIRVCOYOF-UHFFFAOYSA-N	314.386	1.126	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H]1CCCCN1C)c1ccccc1	732291196	BAERDKJXUQCFKW-LSDHHAIUSA-N	303.406	1.812	50	20	DDGD	
CC(=O)NNC(=O)[C@@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C	497114348	HBPZDACQXRWYNK-LLVKDONJSA-N	315.414	1.825	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1cc(Cl)c2c(c1)C[C@@H](C)O2	736064425	SWRVINYHNZSKJN-SSDOTTSWSA-N	318.782	1.383	50	20	DDGD	
O=C(C[C@@H]1C[C@H]2CC[C@H]1O2)NNC(=O)c1cccc([N+](=O)[O-])c1	836183936	DOOXDSKXHDGLQA-CYZMBNFOSA-N	319.317	1.313	50	20	DDGD	
CN(C(=O)c1cccc(B(O)O)c1)[C@H]1CCC[C@@H]1c1ccccc1	585000148	ZONGEJXDJHARQB-MSOLQXFVSA-N	323.201	1.775	50	20	DDGD	
Cc1cccc([C@@H](C)CNC(=O)NNC(=O)[C@@H]2CCCCO2)c1	836323768	JNRZFRIOUSJTGI-ZFWWWQNUSA-N	319.405	1.998	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)NC2CCCC2)C[C@@H]1Br	906439337	YQRSVYRZZHHPNG-GZMMTYOYSA-N	304.188	1.433	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@H]1CCCCO1)c1ccc(OC)cc1	833243374	RDWNQJOVHFWXPU-HUUCEWRRSA-N	320.389	1.905	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1c2c(nn1C)CCC2	907220856	LMUZCMYVPOUYDQ-UHFFFAOYSA-N	314.345	1.452	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2F)C12CCC2	838769227	SWHZMZQLHRRAAG-STQMWFEESA-N	321.352	1.727	50	20	DDGD	
O=C(Cc1coc2c(F)c(F)ccc12)N1CC[C@H](B(O)O)C1	902552264	YJFWPGIDRPQKSX-VIFPVBQESA-N	309.077	1.329	50	20	DDGD	
Cc1nn2c(=O)c3ccccc3[nH]c2c1C=NNC(=O)C1CCC1	731932333	HPCXXUUDOZYVLN-UHFFFAOYSA-N	323.356	1.734	50	20	DDGD	
Cc1nonc1C(=O)NNC(=O)c1ccc(Cl)cc1Cl	736668291	VGXLQUGDIPDEPR-UHFFFAOYSA-N	315.116	1.760	50	20	DDGD	
Cn1c(Cl)cnc1CNC(=O)[C@]1(C)C[C@H]1Br	906510298	DQXADZHGUQLDSO-LHLIQPBNSA-N	306.591	1.863	50	20	DDGD	
Cc1cccc([C@H]2CCN(C(=O)c3cccc(B(O)O)c3)C2)c1	584975872	OOFAROYYJZLFQS-INIZCTEOSA-N	309.174	1.305	50	20	DDGD	
O=C(Cc1ccccc1F)NN=C1COc2cc(O)ccc21	731316953	QUFGDLMWUYTVQB-UHFFFAOYSA-N	300.289	1.987	50	20	DDGD	
CN(C)C(=O)c1cccc(C=NNC(=O)NCC(F)(F)F)c1	901170930	UOSPBIZFUDJQKJ-UHFFFAOYSA-N	316.283	1.584	50	20	DDGD	
CC(C)(C)C(C)(C)CNC(=O)NNC(=O)C(=O)N1CCCC1	838602794	ZNGRYAGCJYJHBZ-UHFFFAOYSA-N	312.414	1.012	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1c[nH]nc1-c1cccnc1	735689244	SBIYDBOXHUPBGY-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NC[C@H](OC)C(C)C)cc1	836349194	OVBIXXNMLHIUBK-ZDUSSCGKSA-N	324.381	1.702	50	20	DDGD	
CC(C)(O)[C@H](Oc1ccccc1)C(=O)NNc1ccccn1	831755862	UCRBKQSVWBIVGI-CQSZACIVSA-N	301.346	1.743	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1CC12CCOCC2	836191318	CKJLLLKSVJZKGA-ZDUSSCGKSA-N	303.362	1.508	50	20	DDGD	
CC[C@](C)(CNC(=O)NNC(=O)Nc1ccc(OC)cc1)OC	836578619	IMPZPMBLGQITKA-OAHLLOKOSA-N	324.381	1.846	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)CC2CC2)c(Br)s1	839780870	XVFYWBRZYUZLIL-UHFFFAOYSA-N	318.196	1.775	50	20	DDGD	
CCc1ccc(N2CCN(S(=O)(=O)CCl)CC2)cc1	830746321	ZISNRXLJTUUJLV-UHFFFAOYSA-N	302.827	1.897	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@@H]2CCCC[C@H]2O)c(F)c1	837206624	OYXWFFJUERUAHQ-IINYFYTJSA-N	324.352	1.997	50	20	DDGD	
CNc1nc(C)ccc1C(=O)NNCC(F)(F)C(F)(F)F	913163580	SCIRGTBNBCRASP-UHFFFAOYSA-N	312.242	1.864	50	20	DDGD	
CCC(=O)NN[C@H](C(N)=O)c1ccc(Br)cc1F	743461100	CYSFVECKUJRPFE-JTQLQIEISA-N	318.146	1.145	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1ccc(Cl)c(C)c1	848449449	MKZGUBDILJONCJ-UHFFFAOYSA-N	305.787	1.503	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cnc2c(c1)c(C)nn2C	747611692	YLYXCIAMNDYDTE-UHFFFAOYSA-N	316.409	1.459	50	20	DDGD	
C[C@@H]1CN(C[C@@H](C)C(=O)NN=Cc2ccccc2O)C[C@@H](C)O1	916370679	DQDHBKCCVCGTLD-MGPQQGTHSA-N	319.405	1.588	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1nccc2ccccc12	748259020	RYBPKEDKZYEGJP-LBPRGKRZSA-N	301.346	1.736	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCSc2ccccc21	916359188	NWSPABZHOCKHEX-UHFFFAOYSA-N	303.387	1.625	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1CC2)c1ccccc1	840722420	HQGIZMIQIPYHKT-VTPLQMEGSA-N	314.341	1.361	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H](C)CCCCN)cc1	841994144	IKDBFMYNPVLBND-CYBMUJFWSA-N	322.409	1.222	50	20	DDGD	
CC(C)(C)CCC1(O)CC(C(=O)NNC(=O)c2ncccn2)C1	841449502	YUDINOUJMUDQEJ-UHFFFAOYSA-N	320.393	1.205	50	20	DDGD	
CC[C@@H](N)CNC(=O)NNC(=O)NCc1ccc(Cl)cc1	842007424	POVWEAFHCMSGFC-LLVKDONJSA-N	313.789	1.091	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc2ncccc2c1	741650380	ZAATWXKSQORMGU-SNVBAGLBSA-N	307.375	1.590	50	20	DDGD	
COC(=O)N(C)NC(=O)C[C@H](C)n1cc(Br)cn1	843882939	XSODMVJNVYQYAU-ZETCQYMHSA-N	319.159	1.326	50	20	DDGD	
O=C(NNC(=S)N[C@H]1CCc2ccccc2C1)c1cc[nH]n1	849277112	VACYYXITPCYCMI-LBPRGKRZSA-N	315.402	1.076	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@@H](O)c1ccccc1C(F)(F)F	911444438	DKJUNOSAQOULLK-KCJUWKMLSA-N	306.284	1.083	50	20	DDGD	
O=C(NN=Cc1ccc2ccccc2n1)[C@@H]1CCS(=O)(=O)C1	741458543	NWYRGDDEISSVJA-GFCCVEGCSA-N	317.370	1.120	50	20	DDGD	
O=C(NCC[C@H]1CCNC1)NNC(=O)c1ccc(Cl)cc1	841938471	MUJCJBAJAVELEX-SNVBAGLBSA-N	310.785	1.284	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(Cl)cc(F)c1N	843973885	ZUGVFDNZTZKITJ-XPUUQOCRSA-N	315.732	1.247	50	20	DDGD	
O=C(NC[C@@H]1CNCCO1)[C@@]12CC[C@@H](C[C@@H]1Br)C2	846682135	MBNUVTNDLSIWHS-MRBYEJRBSA-N	317.227	1.045	50	20	DDGD	
COc1cc(OC)c(C=NNC(=O)[C@@H]2CCO[C@H]2C)cc1F	844601452	NKHCKBUZIHTHNE-GXSJLCMTSA-N	310.325	1.718	50	20	DDGD	
Cc1ncc2n1C[C@H](C(=O)NNc1ccc([N+](=O)[O-])cc1)CC2	845855766	PQBUNVGHLSPSPN-LLVKDONJSA-N	315.333	1.805	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)/C=C\c1ccc(Cl)cc1	843642613	XPHOKYUQMNEEJQ-VRXNHQPZSA-N	308.765	1.926	50	20	DDGD	
CC[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843653457	NJFOFVGORDWJKV-WZRBSPASSA-N	324.352	1.556	50	20	DDGD	
COC(=O)c1ncoc1CCC(=O)NN(C)c1ccccc1	840844543	DQTYJRDCKFVGPZ-UHFFFAOYSA-N	303.318	1.561	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)N[C@H]1CCN(CC(F)F)C1	922923438	NIMOAAZFZREGFG-VIFPVBQESA-N	320.290	1.930	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1O)[C@@H](C)O	842227440	RIZBGPJSBPUGHC-VXNVDRBHSA-N	300.742	1.214	50	20	DDGD	
CC(C)[C@H](N)CNC(=O)NNC(=O)c1cccc2ncccc12	841942974	DZZZGHIPJNTNCD-CYBMUJFWSA-N	315.377	1.162	50	20	DDGD	
CCCCNC(=O)NN=C1C(=O)Nc2cc(OC)c(OC)cc21	920751204	RUUGOWFPMQBNLE-UHFFFAOYSA-N	320.349	1.459	50	20	DDGD	
CCCOc1cc(C)ccc1NC(=O)NNC(=O)COCC	756024025	ZFWIXHPTQNZQDG-UHFFFAOYSA-N	309.366	1.973	50	20	DDGD	
CN(CC1(C)COC1)C(=O)NC[C@@]1(C)C[C@H]1Br	858629185	NTCNTKUHTAALEM-BXKDBHETSA-N	305.216	1.838	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)[C@H]1CCCN(C(N)=O)C1	928336701	ZBQMKSLQNYGIKL-JTQLQIEISA-N	310.785	1.882	50	20	DDGD	
C[C@@]1(CNC(=O)N2CC[C@@H]3CNC[C@@H]32)C[C@@H]1Br	857105552	NGEYVQDDTNUZRJ-WDCWCFNPSA-N	302.216	1.163	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H](CCO)C(F)(F)F	854616211	DUFJBYBZVSXMJW-MQGYJPLLSA-N	314.263	1.729	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNC(=O)c2ccccc2O)ccn1	759797700	SXBAFXJCHQHZOM-UHFFFAOYSA-N	315.329	1.649	50	20	DDGD	
COCCOC[C@@H](C)NC(=O)NNc1c(F)cc(F)cc1F	920487413	FKMIRKXUUKOIHK-MRVPVSSYSA-N	321.299	1.782	50	20	DDGD	
CCON1CCC(CC(=O)NNC(=O)c2ccccc2)CC1	854138820	VBUQOJPDKBYNGG-UHFFFAOYSA-N	305.378	1.501	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ncccc2F)[C@@H]2CCCC[C@H]2N1	854416473	SVMVESKAUMNYMS-JBLDHEPKSA-N	306.341	1.359	50	20	DDGD	
COc1c(C(=O)NC[C@@]2(C)C[C@H]2Br)c(C)nn1C	857687798	BJRNDRXVSRRWPV-PRHODGIISA-N	316.199	1.640	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNC(=O)c1c(C)nc2ccccn12	858171875	YLYITUQIJDAOBF-GFCCVEGCSA-N	318.377	1.609	50	20	DDGD	
C[C@]1(CNC(=O)CCn2ccccc2=O)C[C@H]1Br	857397699	IPMPGGYGJJQCBH-ZWNOBZJWSA-N	313.195	1.528	50	20	DDGD	
COC(=O)N1CCC(C(=O)NNc2ccc(OC)cc2)CC1	857115359	GQGZHSWASINPBW-UHFFFAOYSA-N	307.350	1.617	50	20	DDGD	
Cc1nc(C(C)C)nc(O)c1C(=O)NNc1ncc(Cl)cn1	857729494	ZJZSVKXWVSZKPR-UHFFFAOYSA-N	322.756	1.814	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)C(=O)NNC(=S)N[C@@H](C)C1CC1	855101025	NORQTBMFBHPHNS-SFYZADRCSA-N	309.439	1.424	50	20	DDGD	
COc1cc(C(=O)NNc2cnnn2C)cc(OC)c1C(C)C	857273549	QKNBLBRUZVZRDF-UHFFFAOYSA-N	319.365	1.713	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCc1nc(N(C)C)no1	854049695	HZQAMBUJOZNUST-UHFFFAOYSA-N	308.317	1.409	50	20	DDGD	
O=C(NCCc1ccc(CO)cc1)NNC(=O)C1CCCC1	753174658	JAERTPVJDGEELW-UHFFFAOYSA-N	305.378	1.242	50	20	DDGD	
Cn1ccc(CCNC(=O)NC[C@]2(C)C[C@H]2Br)n1	856849977	VBOIFGDAWKOKLC-PWSUYJOCSA-N	315.215	1.435	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc2c(c1)nc(O)n2C1CC1	854666353	UYNMKNWTLIOJJE-UHFFFAOYSA-N	314.345	1.638	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)COCc2ccccc2)c(C)n1	859489692	PTNGGKNVBJJRIM-UHFFFAOYSA-N	316.361	1.189	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C[C@H]1CC(=O)Nc2ccccc21	929793657	QLWIHBZUYQNUHK-LLVKDONJSA-N	303.362	1.696	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)/C(C)=C\c1ccco1	854286167	VKHBLVDQAJSTTF-KHPPLWFESA-N	311.407	1.557	50	20	DDGD	
CC1(C)CCC(C)(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1	858539534	GNXFQGOMFGYAAN-NSHDSACASA-N	324.425	1.202	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C[C@H]2CCCCO2)cc1OC	755038068	IWYFIXYGPBSOSA-GFCCVEGCSA-N	322.361	1.424	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)Cc2ccccc2O)CC[C@H]1C(=O)O	853401106	VUNCPWHPEIOMBN-ZWNOBZJWSA-N	304.346	1.928	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H]1CC12CCSCC2)C1CC1	855096828	ZEDHZKQFJNXCCT-ONGXEEELSA-N	313.492	1.814	50	20	DDGD	
CO[C@@H](C=NNC(=O)CSc1nc(C)cc(C)n1)C1CC1	853262011	CDKHULJIDFIKTE-LBPRGKRZSA-N	308.407	1.713	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCC(=NNC(=O)c2cccc(F)n2)C1	853444792	STFVZWUFGSIRCN-SNVBAGLBSA-N	313.354	1.294	50	20	DDGD	
C[C@H](N)CCNC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	857114551	RNTRLNQJZHDVNR-UWVGGRQHSA-N	324.450	1.554	50	20	DDGD	
Cc1ccccc1C[C@@H](C)C(=O)NNc1ncnc2[nH]cnc12	863881542	RZQXIDMLGXLQNV-LLVKDONJSA-N	310.361	1.983	50	20	DDGD	
CCc1noc(C)c1C(=O)NNCC(F)(F)C(F)(F)F	863091283	QZZZSCMSVCFISH-UHFFFAOYSA-N	301.215	1.977	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1	764605402	NSBHHZLHIHMQDO-SNVBAGLBSA-N	305.161	1.830	50	20	DDGD	
COc1cc(C(C)=NNC(=O)[C@H]2CCC(=O)N2)ccc1SC	863145080	JAVHKRJHIYTAPM-LLVKDONJSA-N	321.402	1.536	50	20	DDGD	
COc1cc(C(=O)NN=C2C[C@H](C)N(C)C2)cc(OC)c1OC	761793054	JNLBNXUQFVZPTN-JTQLQIEISA-N	321.377	1.522	50	20	DDGD	
Cn1ncc2c1CCC[C@H]2NS(=O)(=O)CC(C)(C)CCl	866476120	IELKAHTXCLIQMD-LLVKDONJSA-N	319.858	1.982	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C\c1cn(C[C@H]2CCCO2)nn1	865216560	GYTHFZVVPIBJAL-NFEOESJKSA-N	303.366	1.136	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2cncnc2C2CC2)c1	862479793	BLBGYQLTPDXQJO-UHFFFAOYSA-N	302.359	1.799	50	20	DDGD	
Cc1cccc(C)c1NC(=O)C(=O)NNC(=O)CC(F)(F)F	764115440	QHECLEZVBZAUJL-UHFFFAOYSA-N	317.267	1.342	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21	863853044	NDKOMVXYTQYZDR-CGTJXYLNSA-N	321.380	1.832	50	20	DDGD	
COc1c(C(=O)NNc2ncnc3ccsc23)c(C)nn1C	766676536	PIEAVXFRKLWXHC-UHFFFAOYSA-N	318.362	1.499	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cc(-c2ccccc2F)on1	768261577	MZLPIVUZYYLJHP-UHFFFAOYSA-N	307.281	1.013	50	20	DDGD	
CN(C)C[C@](C)(O)CNC(=O)[C@@H](Br)C(C)(C)C	768326856	ZQQIAMNTUFSZJS-BXKDBHETSA-N	309.248	1.225	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCC(=O)N1)c1ccc(OCC(C)C)cc1	863145740	LZVPGZLWVHVZCO-OAHLLOKOSA-N	317.389	1.840	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O	867377522	KEWHKKWXJXOYFF-WDEREUQCSA-N	322.858	1.324	50	20	DDGD	
CCC(C#N)(CC)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	860197980	LONGKRPUWBILLJ-LLVKDONJSA-N	311.382	1.442	50	20	DDGD	
O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1ccc(B(O)O)cc1	869577483	GVAJKPSRICOIBM-IAGOWNOFSA-N	309.174	1.433	50	20	DDGD	
O=C(NNc1ccc(F)c(Cl)c1)[C@H]1CCCCS1(=O)=O	863081696	UOLBBTPZNLVCFJ-LLVKDONJSA-N	320.773	1.890	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)Cc2ccncc2)c(Cl)c1	762186212	APFGNFQMGWBHSV-UHFFFAOYSA-N	317.776	1.976	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cn(CC(F)(F)F)nc1C	763302738	TYHIASZZYYCJCN-UHFFFAOYSA-N	321.303	1.498	50	20	DDGD	
O=C(NC[C@H]1C[C@@H](O)C1)[C@@]12CC[C@@H](C[C@H]1Br)C2	863184367	KZPLUOKPTRYFIF-ZTVLKNOQSA-N	302.212	1.827	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C2(F)CCOCC2)c1	864460072	SRHIGKDNDVKIQC-UHFFFAOYSA-N	324.352	1.348	50	20	DDGD	
CCC1(CC)C(=NNC(=O)Cc2cc(O)nc(O)n2)C[C@@H]1OC	762604561	OJAIRQRMVNIDFQ-NSHDSACASA-N	322.365	1.128	50	20	DDGD	
Cn1ccc(NNC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)n1	1116852226	IXMOSLKXTDGDDF-CQSZACIVSA-N	317.368	1.667	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)[C@H]2CCCOC2)cc1	874951157	LDLJVQOSGCCGMO-NSHDSACASA-N	322.434	1.497	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NC[C@@H](O)C(F)(F)F	776670165	QHOQJVVWYHMHQW-YOOZJCNJSA-N	300.236	1.339	50	20	DDGD	
C=CCOc1cccnc1C(=O)NNc1ncccc1[N+](=O)[O-]	775614422	ZIPFDPBWRDDKKE-UHFFFAOYSA-N	315.289	1.707	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(OC)cc(-n2cccn2)c1	879439310	NKDVFPIMICBHOF-UHFFFAOYSA-N	319.365	1.496	50	20	DDGD	
CCN(CC)C(=O)c1ccccc1NC(=O)NN(C)CCOC	878442460	ZIVHJKPPGPZXKA-UHFFFAOYSA-N	322.409	1.783	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)COC2CCCC2)c1	874949790	DQNJZICQZXVOEZ-UHFFFAOYSA-N	317.414	1.945	50	20	DDGD	
C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)NNC(=O)c1cccnn1	883852632	RTFHASPPVPSSGJ-JGVFFNPUSA-N	317.271	1.104	50	20	DDGD	
C[C@@H](CBr)COC(=O)CCNC(=O)c1ccco1	770321371	BLOOQGDZLZQTIM-VIFPVBQESA-N	318.167	1.974	50	20	DDGD	
CCc1nc(-c2ccc(C(=O)NNC(=O)C(C)C)cc2)n[nH]1	770748098	GDJVRPGRISJFEU-UHFFFAOYSA-N	301.350	1.451	50	20	DDGD	
CCCN1CCC[C@H]1CNC(=O)NNc1ccc(C#N)cn1	889032734	RIKLTDMENUVARG-ZDUSSCGKSA-N	302.382	1.454	50	20	DDGD	
CC(C)[C@@]1(C)C[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)OCO2	772850922	QCJIXLJCUPAIMV-BDJLRTHQSA-N	304.346	1.859	50	20	DDGD	
C=CCCC[C@H](C)NC(=O)NNC(=O)C(=O)Nc1ccccn1	776083960	DMTZIYNRVFHVAW-NSHDSACASA-N	319.365	1.095	50	20	DDGD	
CC(C)CN1CCC[C@@H]1C(=O)NNC(=S)NC(C)(C)C	1120614426	AMXANADJEFFKGU-LLVKDONJSA-N	300.472	1.401	50	20	DDGD	
C[C@H](Cc1ccsc1)NC(=O)NNC(=O)C1CCOCC1	883176784	JXSAQPPCVJBKCK-SNVBAGLBSA-N	311.407	1.436	50	20	DDGD	
CC(C)C[C@@H]1CN(C)CCN1C(=O)/C(C#N)=C/c1cnn(C)c1	886600651	YZWJSFDEQBTOBT-WPBGYSLVSA-N	315.421	1.516	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](O)c2cccnc2)c1	780802452	VEPSLFABEXUZAK-ZDUSSCGKSA-N	301.302	1.045	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@]2(C)CCCOC2)cc1OC	781102658	IUEDRORJTOQMIT-INIZCTEOSA-N	322.361	1.282	50	20	DDGD	
CC(=O)NNC(=O)c1cnc2ncc(Br)cc2c1	780155010	NPFYEAVTYUSTAU-UHFFFAOYSA-N	309.123	1.173	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC(=O)c2ccccc21)c1ccncc1	785668592	FCWBDSZUWXWVFW-CQSZACIVSA-N	309.325	1.603	50	20	DDGD	
C[C@@H]1C[C@H]2CC[C@H](C(=O)NNC(=O)CC(F)(F)F)CN2C1	1123903623	SSSGXFGUMBZFDQ-KXUCPTDWSA-N	307.316	1.207	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1c(C)nn2c(C)cc(C)nc12	887141660	CLLLXCSTIYGHSZ-UHFFFAOYSA-N	313.361	1.219	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2c[nH]nc2C2CC2)c1	789844816	HUBSFPQITBMRGT-UHFFFAOYSA-N	320.374	1.448	50	20	DDGD	
C[C@@H](CN(C)C(=O)NNC(=O)c1cccnn1)C1CCCCC1	883853631	NQDNIPHRRSILAY-LBPRGKRZSA-N	319.409	1.979	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)C2CCOCC2)cc1	883061494	WIUKAROYSQNMSP-QPJJXVBHSA-N	304.346	1.282	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2n[nH]c3c2CCCCC3)c1	789756582	BGMNCVXDFDLGFG-UHFFFAOYSA-N	323.356	1.625	50	20	DDGD	
CCc1cccc2c1N(C(=O)C(=O)NNc1ccccn1)CC2	784797488	UVKBBPZTTAWTIM-UHFFFAOYSA-N	310.357	1.676	50	20	DDGD	
C[C@H](NS(=O)(=O)CBr)C(=O)OC1CCCC1	782465508	BKFWUNFYLZWMLN-ZETCQYMHSA-N	314.201	1.133	50	20	DDGD	
CN(C)S(=O)(=O)CCCOC(=O)/C(C#N)=C\c1ccccc1	785362380	LUOAXQLRNXUUKT-KAMYIIQDSA-N	322.386	1.418	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)[C@H](C)C2(C)C)o1	780875716	XKQRBHCSUVOLFY-QWRGUYRKSA-N	306.362	1.990	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=S)NC(C)(C)C)N1CCCCC1	899991848	BUAWDBISYBGJJO-LBPRGKRZSA-N	314.499	1.791	50	20	DDGD	
C[C@@H]1CCc2[nH]nc(C(=O)NNc3ccnc(N(C)C)n3)c2C1	896508139	NSQUQKKFABHIHC-SECBINFHSA-N	315.381	1.147	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccccc2-n2ccnn2)n1	794080309	OGVKAVHYBXBTIT-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
O=C(COC(F)F)NNC(=O)c1ccc(Cl)cc1Cl	794621301	DFCCJVOCBUKAJS-UHFFFAOYSA-N	313.087	1.994	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1	792084297	QDZRKRPJWDRIOP-CQSZACIVSA-N	313.361	1.371	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(N2CCOCC2)ccc1C	797688015	UWZWWJQNSOWDGV-UHFFFAOYSA-N	322.365	1.614	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H](O)c1cccc(C(F)(F)F)c1	795587255	MCOPXAVGHNXPPF-SECBINFHSA-N	305.256	1.089	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)Cc1c[nH]c2ccccc12)C1CC1	792020960	HHJDXZYCLBBPHF-HNNXBMFYSA-N	301.346	1.283	50	20	DDGD	
O=C(NNC(=O)c1c[nH]nc1-c1ccoc1)c1ccccc1O	790486822	FDFPCNZMKCOEBI-UHFFFAOYSA-N	312.285	1.450	50	20	DDGD	
Cc1cccc(CC(=O)NNC(=O)Cc2ccncc2)c1Cl	792601143	BOZHIAIRSHKBQP-UHFFFAOYSA-N	317.776	1.976	50	20	DDGD	
CC(=NNC(=O)c1nnc(O)c2ccccc12)c1ccnc(O)c1	790291944	ZKYLVIHRCNMWGQ-UHFFFAOYSA-N	323.312	1.590	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cnc(Cl)c(C)c2)ncn1	1326071112	KDJAPCMMJZPGML-UHFFFAOYSA-N	320.740	1.224	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCN(C[C@H](CBr)C2CC2)C1	701845349	NPVRXPZVVMCISO-NWDGAFQWSA-N	324.284	1.917	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNC(=O)c2ccccc2Cl)nn1	1320708139	IJNTWEWSXXRNHW-UHFFFAOYSA-N	321.768	1.761	50	20	DDGD	
CC(C)(C)NCC(=O)NNC(=O)c1cc(-c2ccccc2)on1	1324986752	IBBKCYOMLIPWHL-UHFFFAOYSA-N	316.361	1.491	50	20	DDGD	
Cc1ncc(-c2ccccc2)cc1NC(=O)NNC(=O)CCO	1320400642	LCPRVYCORNGSCN-UHFFFAOYSA-N	314.345	1.592	50	20	DDGD	
Cc1ccccc1C(F)(F)C(=O)NNc1nccn(C)c1=O	1320374875	BMPHENSDLBNIMV-UHFFFAOYSA-N	308.288	1.324	50	20	DDGD	
O=C(NNC(=O)C1(c2cccnc2)CCCC1)[C@H]1CCCCO1	1326586910	FDKAAVNBXIRNLG-CQSZACIVSA-N	317.389	1.610	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2cn3ccccc3n2)CC1	1321899087	SLFLYAJIMDJEFR-UHFFFAOYSA-N	313.405	1.906	50	20	DDGD	
C[C@@H](C(=O)NNc1ccn(C)n1)[C@@H]1OCCc2sccc21	1331512752	IEPJUXNTYAZIQD-RNCFNFMXSA-N	306.391	1.875	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(Cl)ncc1C	1335455447	SNCOZAADCNTUGG-MRVPVSSYSA-N	313.741	1.146	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)/C=C/c2nccs2)c1	1346628942	ZCMXXJJSZUNCIC-AATRIKPKSA-N	323.399	1.703	50	20	DDGD	
Nc1cnnc(NNC(=O)Cn2cnc3ccccc32)c1Cl	1343726407	RCWDVCCAUBPUEQ-UHFFFAOYSA-N	317.740	1.205	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNc2ccc(C(=O)O)cc2F)CCC1=O	1609840970	VAHIINVRVYENQQ-DTWKUNHWSA-N	308.309	1.972	50	20	DDGD	
N#C[C@H]1CC[C@@H](NC(=O)NNc2ccc(F)c(C(=O)O)c2)C1	1608190071	FJWWOXHQEQIXDQ-DTWKUNHWSA-N	306.297	1.842	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1F	1602385181	RABMRNAEUAOMRV-XROYCOCOSA-N	306.293	1.582	50	20	DDGD	
O=C(NNC(=O)C(=O)O)N[C@H](c1ccccc1)C1CCCCC1	1610699269	PRBAESOLWUYRSH-CYBMUJFWSA-N	319.361	1.723	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1cc(C(=O)O)cs1	1610651033	MNBVVRYQFZPFFW-UHFFFAOYSA-N	311.241	1.551	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)O)o1)c1ccc2c(c1)OCCO2	1610699292	QSBYNFIZNOULHS-UHFFFAOYSA-N	316.269	1.513	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)=O)C2	1800070156	ZNGOBKODWDMEMH-WRWGMCAJSA-N	300.786	1.231	50	20	DDGD	
CCOCc1nc(C)cc(NNC(=O)[C@H]2C[C@H]3CC[C@H]2NC3)n1	1578126761	BZXMADOKDKOBPZ-FRRDWIJNSA-N	319.409	1.153	50	20	DDGD	
CC(C)[C@@H](C(=O)O)C(=O)NNC(=O)C(C)(C)c1ccccc1	1588807391	CPPRDFUHWVMLHB-GFCCVEGCSA-N	306.362	1.468	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)c1cnn([C@H]2CCCNC2)c1	1580739686	LADMEEUDECYQKX-LBPRGKRZSA-N	320.784	1.613	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1CC1	1847747942	XSZAGBLAZAMBHK-IHRRRGAJSA-N	308.809	1.619	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])[C@@H]1NCC[C@@H]2CCCC[C@@H]21	1580742674	BXYDNIIMYJEAPV-GMXVVIOVSA-N	319.365	1.601	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCCCC1(C(=O)O)CCC1	1589693718	YWNNXVNJZMAQDV-UHFFFAOYSA-N	313.398	1.788	50	20	DDGD	
Cc1cccc(NNC(=O)c2ccsc2-c2nn[nH]n2)n1	1592235572	SYLMGCOOVIAIPO-UHFFFAOYSA-N	301.335	1.389	50	20	DDGD	
CO[C@](C)(C(=O)O)C(=O)NNc1nc2c(C)cccc2s1	1593926068	AKASKWMWMRCUII-ZDUSSCGKSA-N	309.347	1.538	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@@H]2CC[C@H]2C(=O)O)cc1	1593711110	RMKHDBFTBXXKJT-VXGBXAGGSA-N	320.349	1.016	50	20	DDGD	
CN(C)c1nccc(NNC(=O)C23CCC(C(=O)O)(CC2)C3)n1	1598358739	LNTPVTGAOWBNFO-UHFFFAOYSA-N	319.365	1.021	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)c1ncccn1	1593161965	JYYFCFZITJRETP-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1cccc(C(=O)O)c1C	1598895817	NCKXEMCAERLQID-WDEREUQCSA-N	306.318	1.336	50	20	DDGD	
O=C(NN=C1C[C@@H]2COC[C@@H]2C1)Nc1ccc(C(=O)O)cc1	1776046832	KJYZCFRUDIQZEE-PHIMTYICSA-N	303.318	1.919	50	20	DDGD	
CC(=O)NNC(=O)[C@H]1CCCN(C(=O)Nc2cccc(C)c2)C1	163411611	UMTQGKQUCJPNBW-ZDUSSCGKSA-N	318.377	1.406	50	20	DDGD	
CCCOc1cccc(CC(=O)NNC(=O)c2cccnc2)c1	152949188	BELFDBRALMIULY-UHFFFAOYSA-N	313.357	1.874	50	20	DDGD	
C[C@H](C(=O)NNC(=O)N(C)C)c1ccc(Br)cc1	152321290	MRJMLCWBRPOXKY-QMMMGPOBSA-N	314.183	1.855	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)c1cc(C)n[nH]1)c1ccccc1	153871190	NEKFGMRTNHDXQE-HNNXBMFYSA-N	302.334	1.041	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2C3CC4CC(C3)CC2C4)[nH]n1	153877492	XXDQYFHTMVTRPR-UHFFFAOYSA-N	302.378	1.551	50	20	DDGD	
COc1cc(/C=C/C(=O)NNC(=O)C2CC2)cc(OC)c1OC	6310374	ZDKYEOAJFIGKOX-QPJJXVBHSA-N	320.345	1.283	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)c2cc(S(N)(=O)=O)c(C)o2)c1	159195744	LCNAKJIFUIPDCI-UHFFFAOYSA-N	323.374	1.609	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)CNCC(F)(F)F	862286592	BWTCKQXUAKZKHF-UHFFFAOYSA-N	319.283	1.438	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2cccc(C(F)(F)F)c2)CN1	103277103	FYABEJZUULRLEK-MRVPVSSYSA-N	301.268	1.675	50	20	DDGD	
O=C(Cc1ccccc1C(F)(F)F)NNC(=O)[C@@H]1CCCO1	104257128	DCZBTSJWQBFMKG-NSHDSACASA-N	316.279	1.574	50	20	DDGD	
O=C(CCCn1ccnc1)NNC(=O)c1cccc2ncccc12	106811395	AILUWPYQWTWKKK-UHFFFAOYSA-N	323.356	1.673	50	20	DDGD	
CC(C)CS(=O)(=O)CCC(=O)NNC(=O)CC(C)(C)C	103197668	HQHTYNIPKCWMNM-UHFFFAOYSA-N	306.428	1.031	50	20	DDGD	
COC(=O)N1CCC(=NNC(=O)c2ccc(Cl)nc2)CC1	54883282	XQVJEMIHSLUJOO-UHFFFAOYSA-N	310.741	1.683	50	20	DDGD	
CCOc1cccc(C(=O)NNC(=O)c2ccccc2O)c1	54821310	DTZJZGMAMQOTCL-UHFFFAOYSA-N	300.314	1.866	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NC[C@H]2CCCOC2)c1	56368733	YGUTVMFVFLTKAV-CYBMUJFWSA-N	321.377	1.131	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccccc1	22696288	OTCOKUKSYLRDRK-LBPRGKRZSA-N	316.317	1.878	50	20	DDGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCN2C(=O)NC[C@H]2C1	175935049	PHXWPEKUZZUUAT-FGFBTAOXSA-N	313.317	1.169	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccccc1)N1CCc2ccccc21	52712237	QLJLWKCQXGKYIK-CYBMUJFWSA-N	309.369	1.899	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)CCC2CC2)nc2ccccc21	115316626	JKZJBFCLEPOBCV-UHFFFAOYSA-N	300.362	1.453	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@H]1CCCCN1Cc1ccccc1	174365684	BOXCYXZBJSCHEZ-CQSZACIVSA-N	304.394	1.344	50	20	DDGD	
COC(=O)[C@@H](C)Oc1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1	176951727	QMENSTANDQWYMB-VSXLWIIGSA-N	314.341	1.812	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C2[C@@H]3CCC[C@@H]23)c1	175718677	QDLWCTLVNCHRHZ-ZIAGYGMSSA-N	302.374	1.876	50	20	DDGD	
O=C(NNc1cnccn1)c1ccc(OCC(F)(F)F)nc1	114881459	KMBPIFJFCMZFFA-UHFFFAOYSA-N	313.239	1.570	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN[C@H]2CCCC[C@@H]2C)n1	172481048	YBDXDTNPJQCFGY-JQWIXIFHSA-N	324.450	1.310	50	20	DDGD	
CCN(Cc1ccccn1)[C@H](C)C(=O)NNC(=O)CC(C)C	119804064	RWYHUDJSYPTNHG-CYBMUJFWSA-N	306.410	1.486	50	20	DDGD	
Cc1ccc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c(F)c1	175387590	SKWAIBOSBZIFQI-LLVKDONJSA-N	314.382	1.240	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1c[nH]c2cccc(F)c12	185199348	PLBHAGCMTQGYFF-QMMMGPOBSA-N	313.354	1.663	50	20	DDGD	
CC(C)(C)c1nnc(NC(=O)NNC(=O)c2ccncc2)s1	184515167	CINTYESYPPYTMS-UHFFFAOYSA-N	320.378	1.697	50	20	DDGD	
N#CCOc1ccc(CC(=O)NNc2ncc(F)cn2)cc1	122726719	BAOMXJBEYNFFOH-UHFFFAOYSA-N	301.281	1.204	50	20	DDGD	
COCCCOCC(=O)NNc1ccc([N+](=O)[O-])cc1Cl	181483161	JJYZRMCAVADHKI-UHFFFAOYSA-N	317.729	1.744	50	20	DDGD	
O=C(CC1(O)CCCC1)NNC(=O)c1cccc([N+](=O)[O-])c1	72793068	MZIKLSGPGMKYLD-UHFFFAOYSA-N	307.306	1.051	50	20	DDGD	
C[C@H](C[S@@](C)=O)NC(=O)NNc1cc(F)c(F)c(F)c1	182581829	HZKJHTRYADDQDG-PXKKQCTMSA-N	309.313	1.497	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CC1(N2CCOCC2)CCCC1	72967969	ASCNNHMOCHZVGK-UHFFFAOYSA-N	311.426	1.215	50	20	DDGD	
O=C(CCOC[C@@H]1CCCO1)NNc1ccccc1[N+](=O)[O-]	76341160	NEDRGLLFTXLBEL-NSHDSACASA-N	309.322	1.624	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNc1ncnc2ccsc12	188427071	OLSPFDFJCJXUAL-UHFFFAOYSA-N	302.363	1.717	50	20	DDGD	
O=C(COC(=O)/C=C\c1ccco1)NNC(=O)c1cccs1	34759312	XAHKISPQFMIZGF-WAYWQWQTSA-N	320.326	1.359	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1ccnc(Cl)c1	73558388	UYJDXGNNTBXUJA-UHFFFAOYSA-N	304.737	1.608	50	20	DDGD	
COC1CCC(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC1	121644857	RSTDPEKIPPGCHS-UHFFFAOYSA-N	315.373	1.915	50	20	DDGD	
Cc1cc(NNC(=O)CCc2cccc3c2OCO3)nc(C)n1	184475909	FLWQUSOBPAXNDN-UHFFFAOYSA-N	314.345	1.898	50	20	DDGD	
Cc1cccc(C)c1NC(=O)C(=O)NNC(=O)c1cccnc1	133659037	SRMAGHYUYLRCBY-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccn(CC(F)F)n2)cc1	131495046	HMDKJFBOMFVCOJ-UHFFFAOYSA-N	323.303	1.538	50	20	DDGD	
Cc1nc2n(n1)C[C@H](NC(=O)NNc1c(C)cccc1F)CC2	185330630	ANAPPWDGPWBEMQ-LLVKDONJSA-N	318.356	1.675	50	20	DDGD	
CSC[C@H](C)NC(=O)NNC(=O)Cn1ccc2ccccc21	77662973	ZBIYTTHPTSXHSK-NSHDSACASA-N	320.418	1.723	50	20	DDGD	
COCc1cccc(C(=O)NNc2nc3ccccc3c(=O)[nH]2)c1	137172363	AOQMZVDMMUIZQS-UHFFFAOYSA-N	324.340	1.826	50	20	DDGD	
Cc1noc(CCCC(=O)NNc2ncnc3ccsc23)n1	132586900	BJEGWJYKSITYNL-UHFFFAOYSA-N	318.362	1.849	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CC(c3ccccc3)=NO2)o1	84373958	JOCQSIMXUOMPID-CQSZACIVSA-N	313.313	1.542	50	20	DDGD	
CCSCC[C@H](C)NC(=O)NNC(=O)Cc1ccncc1	83235550	HZZOVPCJRLDROB-NSHDSACASA-N	310.423	1.486	50	20	DDGD	
CCC1CCN(CC(=O)NNC(=O)Cc2nc(C)cs2)CC1	80072935	JNIUSCKYWWNTOS-UHFFFAOYSA-N	324.450	1.263	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(C(=O)N(C)C)cc2)o1	84291545	VCWJYLJTWSUVED-UHFFFAOYSA-N	315.329	1.365	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cc(C(C)(C)C)n[nH]1)C1CC1	83676743	IPOASMJNVCAMNG-QMMMGPOBSA-N	309.439	1.615	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCCCCCC1	136194521	HXDUWAPRFQRKLO-UHFFFAOYSA-N	317.433	1.951	50	20	DDGD	
C[C@@H](Cc1ccccc1Cl)C(=O)NNC(=O)[C@@H]1CCCO1	130666698	ZEOARGIZZMYXHS-GWCFXTLKSA-N	310.781	1.845	50	20	DDGD	
C[C@@H](Cc1cccc(F)c1)C(=O)NNC(=O)c1ccncc1	195069337	NQOADQZGAKRXGV-NSHDSACASA-N	301.321	1.861	50	20	DDGD	
CN(NC(=O)C(C)(C)c1ccc(OC(F)(F)F)cc1)C(N)=O	190949654	HDBIBHBTJSUALN-UHFFFAOYSA-N	319.283	1.905	50	20	DDGD	
C#CCN1CCC(C(=O)NNC(=O)c2cccc(Cl)c2)CC1	193910849	NVNZXVQQDIKJJB-UHFFFAOYSA-N	319.792	1.446	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cccc3[nH]ccc23)nc(C)n1	130441462	RRXGQZNVWSKTOQ-UHFFFAOYSA-N	324.344	1.657	50	20	DDGD	
CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)CCl	383126375	JDLQRBAVLFGQIN-AWEZNQCLSA-N	316.854	1.966	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cnn(-c2ccc(F)cc2)c1	255919843	OYXVGKOPZWDRFQ-JYRVWZFOSA-N	314.320	1.681	50	20	DDGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)[C@@H]1CCS(=O)(=O)C1	252677963	BSKGHDZYPWSQMD-LBELIVKGSA-N	310.419	1.349	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)COc2ccccc2F)O1	268367366	VMUDLOLVZFLPPM-ZWNOBZJWSA-N	310.325	1.310	50	20	DDGD	
CCN(C)C(=O)c1cccc(C(=O)NNC(=O)OC(C)(C)C)c1	264245051	GAMQSMFWUKOYJN-UHFFFAOYSA-N	321.377	1.948	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C[C@@H]1CCc2ccccc2C1	264950105	VFYINLUTGHAKOI-CYBMUJFWSA-N	311.385	1.981	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H](C(=O)NNc2ncnc3nc[nH]c23)C1(C)C	275517660	YREIUVQKYYOODL-BDAKNGLRSA-N	316.365	1.437	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1cccc(-n2ccnn2)c1	273442524	NBSPWGHMBWRMEK-UHFFFAOYSA-N	300.322	1.220	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C)ccc1OC	274074717	PDXGZPHVTXADOC-JTQLQIEISA-N	307.350	1.136	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CC[C@H]([C@@H](C)O)C2)cc(C#N)n1C	273051932	WWNHSCURTFEABW-IFOMRHNGSA-N	312.373	1.341	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)c1	275507160	JZMSHTRRCJAGGW-LSDHHAIUSA-N	300.362	1.949	50	20	DDGD	
CCN(CC)CCCNC(=O)NNc1cccc(C(=O)OC)c1	272548718	DTIYNDDNOUKUHU-UHFFFAOYSA-N	322.409	1.831	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)cn1	273180923	GBMGYAQPKQYHBL-JTQLQIEISA-N	322.365	1.064	50	20	DDGD	
CCN(C)C(=O)[C@H](C)NC(=O)NNc1ncnc2ccsc12	277008696	XRTADPHEUFIBLG-QMMMGPOBSA-N	322.394	1.184	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)[C@H](C)c2cccnc2)n1	279611150	FQGVIWZMCWUDSV-GFCCVEGCSA-N	313.361	1.832	50	20	DDGD	
Cc1ncc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C(C)(C)C)cn1	276779416	DDFDUTLZUVWFHP-RYUDHWBXSA-N	321.381	1.389	50	20	DDGD	
CCn1nccc1C1CCN(C(=O)NNC(=O)C(C)(C)C)CC1	279014359	UDNMFDJXXMNMPT-UHFFFAOYSA-N	321.425	1.869	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)c1cc2n(n1)CCO2	378000978	PPTVDKJQBIVADM-UHFFFAOYSA-N	312.285	1.097	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C1(C)COC1	278302212	BEHWYFURNSOMRT-VIFPVBQESA-N	312.753	1.291	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cnc3c(c2)NC(=O)CO3)cc1	373167146	VPZMIFJWDGGSGS-UHFFFAOYSA-N	309.285	1.041	50	20	DDGD	
CSSCCNC(=O)N1CCS(=O)(=O)CC[C@@H]1C	375125697	FDUFVFWEPJMRIM-VIFPVBQESA-N	312.482	1.216	50	20	DDGD	
C[C@H](CNC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccccn1	284892403	AIROFIXFSKPFAI-SNVBAGLBSA-N	322.365	1.003	50	20	DDGD	
CC(C)(CNC(=O)/C(C#N)=C\c1ccc(F)cc1)OCCO	292145572	TTYOSMIPCYXTEQ-LCYFTJDESA-N	306.337	1.636	50	20	DDGD	
CCCN(NC(=O)C1(O)CCOCC1)C(=O)OC(C)(C)C	804593026	OFISZETVNCHJEZ-UHFFFAOYSA-N	302.371	1.206	50	20	DDGD	
CC[C@@H]1CCC[C@H]1C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	294528054	ZCRSIFRBGATQSX-TZMCWYRMSA-N	317.389	1.907	50	20	DDGD	
O=C(COC1CCCC1)NNC(=O)Nc1ccc2c(c1)OCO2	802099100	CEXDEGUSIRFYPV-UHFFFAOYSA-N	321.333	1.527	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(-n2ccnc2)nn1)c1ccccn1	804954146	AWFBNTYQXWLLDD-LLVKDONJSA-N	309.333	1.304	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H](C)n1ccc2ccccc2c1=O	294812709	VHYSWFLBMTYNJX-NSHDSACASA-N	316.361	1.301	50	20	DDGD	
COc1ccc(NNC(=O)Cc2n[nH]c3c2CCCC3)cc1	806787883	ONXHLFQKLVJTML-UHFFFAOYSA-N	300.362	1.983	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)[C@@H](NC(N)=O)C(C)(C)C)c1	293975353	RCDSGGHAPQUCMP-GFCCVEGCSA-N	321.381	1.171	50	20	DDGD	
CCOC(=O)c1ccc(CNC(=O)NNC(=O)C(C)(C)C)cc1	299181610	SPCLLLXXRWTBGG-UHFFFAOYSA-N	321.377	1.740	50	20	DDGD	
CS[C@@H](C)CCC(=O)NNc1ccc(-n2ccnc2)nn1	804956865	HCGFNTSJGAYCJS-JTQLQIEISA-N	306.395	1.637	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)COc2ccccc2Cl)O1	292490174	MOOWAXUFXKNZGP-CABZTGNLSA-N	312.753	1.434	50	20	DDGD	
CC(=O)NNC(=O)C1(S(=O)(=O)c2ccc(C)cc2)CCCC1	294163446	BQIATYSQIFUIHU-UHFFFAOYSA-N	324.402	1.249	50	20	DDGD	
O=C(NNc1ncccc1F)C(=O)Nc1ccc2n[nH]cc2c1	807301179	ZLRUXKRYKCOGSL-UHFFFAOYSA-N	314.280	1.179	50	20	DDGD	
COc1ccc(NC(=O)NNc2cccc(F)n2)c(OC)n1	806235246	FNTXUDDCYYIFMN-UHFFFAOYSA-N	307.285	1.782	50	20	DDGD	
Cc1noc(-c2ccccc2C(=O)NNC(=O)CC2CC2)n1	294228390	RIOBLZYTOXIGIL-UHFFFAOYSA-N	300.318	1.606	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](OC(C)C)c2ccccc2)[nH]n1	292627090	YKHUVKQBMJYKBB-AWEZNQCLSA-N	316.361	1.645	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cc(O)nc2cc(F)ccc12	294259168	UDDCPBPPVLLXKT-UHFFFAOYSA-N	303.293	1.641	50	20	DDGD	
CC(C)(C)OC(=O)N1[C@H](C(=O)NNc2ccccn2)C[C@H]2C[C@H]21	815969030	CRUCAYJBVGIMKL-UTUOFQBUSA-N	318.377	1.923	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)OC(C)(C)C	816638850	ZNSGNIAIZHDLJK-BBBLOLIVSA-N	313.354	1.114	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2cc(F)c[nH]2)c1	814719454	POKPVFRRLKXIPS-UHFFFAOYSA-N	305.309	1.611	50	20	DDGD	
CCCC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccnc1	814781884	OJVKMDLOVGDOFI-LBPRGKRZSA-N	309.391	1.137	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC(F)(F)[C@H](C)C1	810045644	SCCYOYAGZQHMRB-GHMZBOCLSA-N	305.369	1.546	50	20	DDGD	
C[C@@H]1CN(c2ccc(C(=O)NN(C)C3CC3)cn2)C[C@@H](C)O1	819645200	BCGDYICIUSLNSK-VXGBXAGGSA-N	304.394	1.434	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCc2cccnc21	819935184	REEOJSDHHPCSJL-LBPRGKRZSA-N	321.377	1.048	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=C1CC(C(=O)O)C1	814731093	YXVGWAYMLMEUME-UHFFFAOYSA-N	300.318	1.312	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)CN1CCN(C)C(=O)C1	812766623	LBLFJYGCEVSPLP-UHFFFAOYSA-N	318.421	1.336	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCOc1ccccc1F	726538193	HMKOHZUYSCMNPF-UHFFFAOYSA-N	305.309	1.394	50	20	DDGD	
COCCN(CC(=O)NNC(=O)C(C)C)[C@H](C)c1ccccc1	827558316	ZOZXFMHKIRASAU-CQSZACIVSA-N	321.421	1.499	50	20	DDGD	
C[C@@H]1CCC[C@@H](CC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)C1	728161689	LWAWHAMPIPTTIR-MCIONIFRSA-N	316.467	1.695	50	20	DDGD	
CC(=O)NNC(=O)c1cccc(F)c1I	721670997	BKVUTYXIHVOORH-UHFFFAOYSA-N	322.077	1.211	50	20	DDGD	
CCOc1cccc(C=NNC(=O)CN(C)C)c1OC(F)F	727649942	RIEANISSSHWEEC-UHFFFAOYSA-N	315.320	1.698	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)/C=C/Sc1ccccc1	491746527	OIFMLHBLNXGCTF-BQYQJAHWSA-N	302.359	1.785	50	20	DDGD	
CCN(CCO)NC(=O)Cc1csc(-c2cccc(F)c2)n1	823838363	OXXMAZXPPLZNLH-UHFFFAOYSA-N	323.393	1.837	50	20	DDGD	
CCN(CCO)NC(=O)CCCC(=O)c1ccc(OC)cc1	823852773	PCFINCYYYWNOBA-UHFFFAOYSA-N	308.378	1.394	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	490968075	AWZCNAUXORKLFD-ZHACJKMWSA-N	317.349	1.349	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1	491055759	AFELNBSJGVVQOU-LLVKDONJSA-N	311.382	1.191	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C\c2cnc(N3CCCC3)nc2)n1	490943341	RFNRKGTYAXGCRJ-JYRVWZFOSA-N	323.360	1.356	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)NCCOCCF	824321502	QPRXKILEHDLLHM-UHFFFAOYSA-N	319.768	1.866	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NC1CC(c2ccccc2)C1	825896375	WJAPMEULFDFHFL-GALLPEHLSA-N	317.389	1.688	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1ccc(Br)cc1F	823798523	FIOKZQWOKJXKSH-UHFFFAOYSA-N	318.146	1.481	50	20	DDGD	
CC(C)(C)OC(=O)NN=Cc1cnc(N2CCOCC2)s1	496952951	AJVANIWWMXLZQH-UHFFFAOYSA-N	312.395	1.838	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCc2cc(F)ccc21	826755090	RVKDCSNPQDFKGX-GFCCVEGCSA-N	302.309	1.348	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)N[C@@H]1C=CCC1	821091772	FUGMCLUPNVHBPW-WDEREUQCSA-N	307.325	1.642	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)/C=C/C2CCCC2)cc1	493294918	XBKDJDKDVCCVIY-JXMROGBWSA-N	313.357	1.831	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)C(C)C)c1ccc(F)cc1F	828691738	FDMMYJWKZAOCND-ZDUSSCGKSA-N	313.348	1.809	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)/C(C#N)=C/c2ccc(O)cc2)n1	490910659	RPGXWWDHSAQYGZ-MDWZMJQESA-N	309.329	1.849	50	20	DDGD	
CN(C[C@](C)(O)c1ccccc1)C(=O)NNC(=O)C(C)(C)C	825965228	ULSYPHWNWQRFPT-INIZCTEOSA-N	307.394	1.613	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H]1CCN(C)[C@@H]1C	822735593	CUWADEPMLXNJKS-NXEZZACHSA-N	309.341	1.396	50	20	DDGD	
CCCN(NC(=O)C[C@H]1COC(=O)C1)C(=O)OC(C)(C)C	496433293	JPOBAUGEGMXVIX-SNVBAGLBSA-N	300.355	1.618	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)n1	497133412	SYECQZPGAAWQJE-ZJUUUORDSA-N	322.365	1.447	50	20	DDGD	
Cn1cc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1C(N)=O	491175069	JNACJYXTKWDZSP-WDZFZDKYSA-N	310.313	1.375	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)C1[C@@H]2CCCCCC[C@@H]12	826122996	BQUTXHHWPWJSTP-ZIAGYGMSSA-N	301.390	1.988	50	20	DDGD	
OB(O)c1ccc(CNc2ccc(CCN3CCCC3)cc2)o1	585013062	JOUYRXQOFYEUMZ-UHFFFAOYSA-N	314.194	1.210	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)CNC(=O)OC(C)(C)C	494726160	MTHNTBRWKMRAIQ-UHFFFAOYSA-N	309.370	1.012	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)/C=C/Sc1cc(F)ccc1F	823927851	HMZZLVYCBIPPLV-VUHVRTRXSA-N	302.346	1.914	50	20	DDGD	
CC(C)C(=O)NNC(=O)Cc1ccccc1O[C@@H]1CCOC1	823716810	RMSMTGMUBVNPIO-CYBMUJFWSA-N	306.362	1.200	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)/C=C/c2ccc[nH]2)nc2ccccc21	492797926	JOKVGTHXWNFVBM-CMDGGOBGSA-N	323.356	1.305	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(-c2cnn(C)c2)ccc1F	494990137	ILFDRXFQVRXUNP-UHFFFAOYSA-N	306.297	1.617	50	20	DDGD	
Cc1ccccc1CC(C)(C)NC(=O)c1ccc(B(O)O)cc1	584941903	DAGOGCDUMMMURM-UHFFFAOYSA-N	311.190	1.426	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccc(NC(=O)OC)c1C	496340673	IYRGHVHNQYKMRR-UHFFFAOYSA-N	310.310	1.956	50	20	DDGD	
CN(C)CCCCC(=O)NNC(=O)c1cccc2ncccc12	730286512	DDJVPLJIZRKETI-UHFFFAOYSA-N	314.389	1.728	50	20	DDGD	
CCOc1ccc([N+](=O)[O-])cc1C=NNC(=O)c1cnn(C)c1	735413604	OPDKFMZVELVPHS-UHFFFAOYSA-N	317.305	1.491	50	20	DDGD	
CN(CCCC(=O)NNC(=O)c1cccc(Cl)c1)C(=O)O	737426361	CXUXBABJJLBYDX-UHFFFAOYSA-N	313.741	1.491	50	20	DDGD	
CC(C)(C)OC(=O)NC1CC(=NNC(=O)N2CCOCC2)C1	495789321	VTQIYTNDVSPEJE-UHFFFAOYSA-N	312.370	1.071	50	20	DDGD	
CC[C@H](C)[C@H](C)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	495393729	UEHOJEQUKUEFOL-QWRGUYRKSA-N	315.414	1.731	50	20	DDGD	
Cc1cccc(-n2nnc(C(=O)NNc3cc(C)ncn3)c2C)c1	734254424	KKPJIKYSRSFZPT-UHFFFAOYSA-N	323.360	1.739	50	20	DDGD	
CN(C)C(=O)[C@H]1CCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)C1	491101968	GMVWJOONXJIFTO-FYQHACEVSA-N	313.357	1.236	50	20	DDGD	
CC[C@H](Cc1ccccc1C)C(=O)Nc1cccc(B(O)O)c1	584910574	CFZUBIYWJMTAOL-CQSZACIVSA-N	311.190	1.882	50	20	DDGD	
O=C(O)NCCC(=O)NNC(=S)Nc1cccc(Cl)c1	739937587	AQTROQNIHYXYOI-UHFFFAOYSA-N	316.770	1.315	50	20	DDGD	
OB(O)c1ccccc1CN[C@H]1CCc2c(Cl)cccc21	585020065	NHHNSZXYYPNLMV-INIZCTEOSA-N	301.582	1.797	50	20	DDGD	
C[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)[C@H]2CCCC[C@H]21	584929593	SKSRRXYACCDCTH-FFSVYQOJSA-N	319.185	1.546	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cccc(C(=O)O)n1	737905102	FHEFHDSZSXWNBL-UHFFFAOYSA-N	318.241	1.916	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H]2[C@H]3CCc4ccccc4[C@H]32)cc1	585027892	AJXFVTXSJVNXKZ-GUDVDZBRSA-N	307.202	1.432	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@H](C)CCCc1cccnc1	839145806	TWVWWUQVDPUNAV-OLZOCXBDSA-N	306.410	1.328	50	20	DDGD	
CCn1nc(C2CC2)cc1C(=O)NNC(=O)c1ccc(C#N)cc1	906458613	DOYFNWPOKOBWQQ-UHFFFAOYSA-N	323.356	1.727	50	20	DDGD	
CC[C@@H](COCC(F)(F)F)NC(=O)NNC(=O)CC(C)C	836531163	JXXRCEOAHIJURO-VIFPVBQESA-N	313.320	1.720	50	20	DDGD	
COCCn1cc(NC(=O)[C@]2(C)C[C@H]2Br)cn1	906259630	DRYLXAWLIVBMFT-MWLCHTKSSA-N	302.172	1.642	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NOCC2CC2)c2ccccc21	838604716	WJDAOHDRABMXAP-UHFFFAOYSA-N	302.334	1.464	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H](C)OCC2CC2)cc1F	837052156	ZNYYZHCZCHLNBU-SECBINFHSA-N	310.325	1.871	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cccc2cccnc12	831099430	GVADYFRBMURIHP-JQWIXIFHSA-N	314.345	1.813	50	20	DDGD	
CC(C)[C@@H](c1cccnc1)N(C)C(=O)c1ccc(B(O)O)cc1	584942275	FOCMNMZBBUBBGH-INIZCTEOSA-N	312.178	1.231	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2COc3ccccc3C2=O)C[C@@H]1Br	907146884	NPFXWXPOLLPYIZ-PUYPPJJSSA-N	324.174	1.920	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=C(CC1CC1)c1ccccc1	735971746	UUPGRDCFHLGNAQ-NSHDSACASA-N	323.418	1.245	50	20	DDGD	
C[C@@H](NCc1ccc(B(O)O)cc1F)C1CCC(F)(F)CC1	585046018	PJLVPQFJOLVDON-SNVBAGLBSA-N	315.144	1.809	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1)N[C@H]1CC12CCNCC2	831174253	XPIOOZZZOQSGJW-LBPRGKRZSA-N	322.796	1.426	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)c1n[nH]c2c1CCCC2	733809666	BYFGBKOJVQKXDU-UHFFFAOYSA-N	308.345	1.989	50	20	DDGD	
CO[C@H](C1CC1)[C@@H](C)NC(=O)NNC(=O)Cc1ccccc1C	836640581	GPMZNSSTIFPTNL-WBMJQRKESA-N	319.405	1.681	50	20	DDGD	
COc1cccc(COCC(=O)NNC(=O)c2ccncc2)c1	915635898	WVFVVRVTNOWTHU-UHFFFAOYSA-N	315.329	1.068	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)C(C)(C)c1ccccc1)N(C)C	731231693	ZEKXPUYWFVIWPB-CQSZACIVSA-N	305.422	1.698	50	20	DDGD	
CC[C@H](C)[C@@H](C=NNC(=O)c1cncc(NC(C)=O)c1)OC	834964406	CEMLQLWMUBNFRV-IINYFYTJSA-N	306.366	1.817	50	20	DDGD	
Cc1nc2ccc(NC(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)cc2o1	831184336	NTXPISSKTLVYFA-LDYMZIIASA-N	318.333	1.714	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)NCCN1C(=O)CCC1=O	918638803	YCYQPGIQKVYIBN-UHFFFAOYSA-N	324.768	1.424	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)Nc2ccc(C(=O)O)cc2)CCN1C	743445005	ZEVNKIGFUJMOGD-SNVBAGLBSA-N	304.350	1.976	50	20	DDGD	
NCCCCCCNC(=O)NNC(=O)c1c[nH]c2ccccc12	831249206	WIDATIPBRVLDBR-UHFFFAOYSA-N	317.393	1.631	50	20	DDGD	
CC1(OCC(=O)NNC(=O)c2cc(Cl)ccc2O)CCC1	746295547	DZHUZWCMSJVYGL-UHFFFAOYSA-N	312.753	1.766	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1	919879631	NLYGKYQRWVBUMY-NSHDSACASA-N	314.345	1.795	50	20	DDGD	
C[C@@H](CCc1cccn1C)NC(=O)NNC(=O)C1CCCC1	745874830	FPXASYKKSDOOHH-LBPRGKRZSA-N	306.410	1.867	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1noc2c1CCCCC2	843656369	MQSVNDLKIRDGCC-VHSXEESVSA-N	307.350	1.130	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)C1=C(c2ccccc2)SCCO1	910140015	FPCIHDJRGKZRIH-LLVKDONJSA-N	308.403	1.462	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)c2cn(C)nc2C)cc1	846374301	NPKIPDXJMQABKE-UHFFFAOYSA-N	302.334	1.201	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2	917181402	FFZIOWNFBAGZQQ-VDQHWBOFSA-N	308.422	1.901	50	20	DDGD	
O=S(=O)(NC/C=C/CO)c1ccc(CCCCl)cc1	849426856	BQFSKUSZQDNUCJ-OWOJBTEDSA-N	303.811	1.685	50	20	DDGD	
Cc1noc(C)c1C=NNC(=O)COc1ccccc1[N+](=O)[O-]	916322644	FNDXIUYQVDIIAE-UHFFFAOYSA-N	318.289	1.729	50	20	DDGD	
O=C(NNc1ccc(Cl)c(F)c1)[C@@H]1CCCS(=O)(=O)C1	845858232	OYAFSGHESMUZAK-MRVPVSSYSA-N	320.773	1.747	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cccc(OC)c1OC	748260768	XUXMMVPJSIMDMV-NSHDSACASA-N	310.350	1.205	50	20	DDGD	
CC1=C(C)C(=O)N(CCC(=O)NNc2ccc(C)c(F)c2)C1=O	912711787	MLSLZHZXWUJNOF-UHFFFAOYSA-N	319.336	1.673	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1c(F)c(F)cc(F)c1F	748528151	CULIRCGKNJTDAV-UHFFFAOYSA-N	305.231	1.597	50	20	DDGD	
Cc1cccc2cc(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)oc12	843647329	MHOAJPNGPBKOQK-CMPLNLGQSA-N	302.330	1.927	50	20	DDGD	
COCCn1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)cn1	743418959	NKAZPFLTFHNEJS-UHFFFAOYSA-N	317.305	1.202	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)N(C2CC2)C1	748005830	BPMLPNRSQGDOEW-VIFPVBQESA-N	304.306	1.049	50	20	DDGD	
CC(C)(C)[C@@H](O)C(=O)NNc1ncc(Br)cn1	848320937	CWAPJKSAVYXDCU-ZETCQYMHSA-N	303.160	1.089	50	20	DDGD	
C[C@@H](COCC1CC1)NC(=O)NNc1nc2ccccn2n1	845586936	UUHMHBPVSBRPOV-JTQLQIEISA-N	304.354	1.171	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CNC1(c2ccc(F)cc2)CCC1	744392051	DWZOJCKOYYWEEG-UHFFFAOYSA-N	321.396	1.988	50	20	DDGD	
C[C@@H](CN)NC(=O)NNC(=O)c1ccc(Cl)cc1Cl	841982840	RUTIFBNRYMJABO-LURJTMIESA-N	305.165	1.285	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCC(=O)c1ccccc1	843978956	ZTLPDLOGLINXIK-AAEUAGOBSA-N	304.346	1.222	50	20	DDGD	
CCC(CC)n1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n1	843663198	WAQXMTPOVUZYEH-ZYHUDNBSSA-N	308.382	1.430	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1ccc(C(=O)N(C)C)cc1	842560092	KTSSLVHRSGOYHH-SWLSCSKDSA-N	317.389	1.654	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(F)c(F)c1)[C@H]1CN(C)CCO1	921559392	YXJKAUGPJIESTR-NOZJJQNGSA-N	314.336	1.310	50	20	DDGD	
CC(=NNC(=O)[C@H]1COc2ccccc2O1)C1CCOCC1	755879051	ICGOZMDXXTWKBZ-OAHLLOKOSA-N	304.346	1.745	50	20	DDGD	
Cc1cc(C)n(CCC(=O)NNC(=S)N[C@@H](C)C2CC2)n1	751621466	WKCSWTJGRZERBT-NSHDSACASA-N	309.439	1.184	50	20	DDGD	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NNC(=O)CO)cc1	755757397	UFUHWYXUCNNQKU-HNNXBMFYSA-N	324.340	1.487	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccncc2)c(Cl)n1	757686479	HTZBWQFVBYAQLA-UHFFFAOYSA-N	321.724	1.605	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)C[C@@H]2CCCC[C@@H]2C)n1	920430164	NEEPKUZAPZJFKK-FZMZJTMJSA-N	306.410	1.864	50	20	DDGD	
CO[C@H](C)CNC(=O)NNC(=O)c1cccc2ccccc12	852141019	BTLIIJKFBQJURR-LLVKDONJSA-N	301.346	1.819	50	20	DDGD	
CC(C)COc1ccc(C(=O)NNC(=O)c2cccnn2)cc1	858133490	RPMMLBVRPIWBOD-UHFFFAOYSA-N	314.345	1.586	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)N2CCC[C@H]2C2CCCCC2)N1	858693855	AECXFUNWNQWRNB-STQMWFEESA-N	322.409	1.051	50	20	DDGD	
COCCCNC(=O)NN=C1CCCc2oc(C(=O)O)c(C)c21	920830235	TUGDFVYBRMMINJ-UHFFFAOYSA-N	323.349	1.662	50	20	DDGD	
C[C@H](CSc1ccccc1)C(=O)NNC(=O)Cc1cc[nH]n1	755280376	VYIKWELHESXSSX-LLVKDONJSA-N	318.402	1.528	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1Cl	753317876	ZCEDRCJIFXFCFU-VIFPVBQESA-N	313.766	1.089	50	20	DDGD	
COc1cccc([C@H](OC)C(=O)NNC(=O)c2cccn2C)c1	854287525	FHRLVZJTDGJPLH-AWEZNQCLSA-N	317.345	1.182	50	20	DDGD	
Cn1c(=O)oc2cc(C=NNC(=O)Cc3cccnc3)ccc21	754944210	PAKRADLLVQTEFC-UHFFFAOYSA-N	310.313	1.219	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NNC(=O)NC(C)C	858865679	LWGIQEJIEOWXLH-JTQLQIEISA-N	316.402	1.371	50	20	DDGD	
CN1CC[C@H](C(=O)NNC(=O)NC2CCCC2)c2ccccc21	750726351	NYARBIVLYIGOGZ-AWEZNQCLSA-N	316.405	1.883	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1cccc(-c2nc(=O)o[nH]2)c1	854479451	UATGXGUYKLBNKK-UHFFFAOYSA-N	316.144	1.906	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=O)c2ccc(C#N)cc2)C1	857853586	DWCZIKZKMYSYIV-IINYFYTJSA-N	323.356	1.408	50	20	DDGD	
CC1(OCC(=O)NNc2ccc(C(F)(F)F)nn2)CCC1	755187739	ONMIUWKDPFYNBX-UHFFFAOYSA-N	304.272	1.898	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1C(=O)NN[C@@H](C)C(F)(F)F	862305528	PTFPHUWFISPKCA-LURJTMIESA-N	307.228	1.789	50	20	DDGD	
CCSc1ccc(C(C)=NNC(=O)[C@H]2CCC(=O)N2)cc1	863148205	WMZHBDGUGPBFGX-CYBMUJFWSA-N	305.403	1.917	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2c(C=O)c[nH]c2c1	862094336	KRTYUYZRVAKGGC-SKDRFNHKSA-N	315.329	1.166	50	20	DDGD	
CCn1c(NNC(=O)c2ccn(C)c2)nc2ccccc2c1=O	763244839	YWIYUAYOKXXFPO-UHFFFAOYSA-N	311.345	1.512	50	20	DDGD	
CC(C)(C)c1nnc(NC(=O)NNC(=O)c2cn[nH]c2)s1	860497990	PMJIGGKKKFVCNV-UHFFFAOYSA-N	309.355	1.025	50	20	DDGD	
CC(C)c1ccccc1OCCC(=O)NNC(=O)C(C)(C)O	768245582	WGBNBEYQJDBMFW-UHFFFAOYSA-N	308.378	1.497	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)CCc2ccccc2)CCO1	769736161	RELCSRQVQKVCKW-OCCSQVGLSA-N	305.378	1.517	50	20	DDGD	
C[C@H](OCc1ccncc1)C(=O)NNC(=O)NC1CCCCC1	864461340	OZVGWJKBMSZKGA-LBPRGKRZSA-N	320.393	1.650	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)cc[nH]1	862513361	DMWGDKYBQHOCDB-SFHVURJKSA-N	324.384	1.103	50	20	DDGD	
CCc1c(C(=O)NNC(=O)COCCOC)oc2ccccc12	869904368	XAWDZCAYSOVEQR-UHFFFAOYSA-N	320.345	1.419	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@H]1COc2ccc(O)cc2O1	868372761	CGQHFLGTQOBHJZ-SNVBAGLBSA-N	306.145	1.794	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)[C@@H]1C[C@@]12CCOC2	764110539	QLHWTVRWMPROIY-IINYFYTJSA-N	301.306	1.001	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H](C)Cn2cccn2)c1	1118858752	SXZYIQXTDRYQIA-JTQLQIEISA-N	307.379	1.286	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccc(N2CC=CC2)cc1	1119216571	PDUPYTHWGMTLQR-UHFFFAOYSA-N	304.350	1.475	50	20	DDGD	
O=C(NCc1cccnn1)NNC(=O)c1cc2ccccc2o1	767832613	FSSFELPWOFLFRB-UHFFFAOYSA-N	311.301	1.367	50	20	DDGD	
COCCOCC(=O)NN=Cc1cn(C)nc1C1CCCCC1	872401307	OZIWHXGDLNLKAQ-UHFFFAOYSA-N	322.409	1.581	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@H](O)C1CC1	873854164	UJWKEPBCEPUPOY-CYBMUJFWSA-N	307.419	1.646	50	20	DDGD	
C[C@@H](NCC(=O)NNC(=O)C(C)(C)C)c1ccc(C#N)cc1	775164175	VXUYVNKMDYJTPQ-LLVKDONJSA-N	302.378	1.402	50	20	DDGD	
Cc1onc(-c2ccccn2)c1C(=O)NNC(=S)NC(C)C	1116285842	JVUBHDFJQOKQLY-UHFFFAOYSA-N	319.390	1.562	50	20	DDGD	
C[C@@H](CBr)COC(=O)Cc1nc2ncccn2n1	770341605	ULABDTOKPDICDG-QMMMGPOBSA-N	313.155	1.241	50	20	DDGD	
CCCN1CCC[C@@H]1C(=O)NNC(=O)c1ccc(OC)cc1	1115927910	HNSMZGJUIIYXPO-CQSZACIVSA-N	305.378	1.331	50	20	DDGD	
Cc1nnnn1-c1cccc(NC(=O)NCC(Cl)Cl)c1	878218061	JIWJCYVVTZPLMX-UHFFFAOYSA-N	315.164	1.896	50	20	DDGD	
COCCOCC(=O)NN=C(C)Cc1nc2ccccc2s1	872401873	LUCFPZCIKTUDRZ-UHFFFAOYSA-N	321.402	1.994	50	20	DDGD	
CC(=O)N1CCC(C(=O)NNc2c(F)cc(F)cc2F)CC1	885149335	NKUPZAQFRRZFNL-UHFFFAOYSA-N	315.295	1.806	50	20	DDGD	
CCC1(C(=O)NNC(=O)c2ccc(C)c(O)c2)CCOCC1	882050522	YHUOMBYNYRTYBL-UHFFFAOYSA-N	306.362	1.668	50	20	DDGD	
C[C@H](CS(C)(=O)=O)C(=O)NNc1ccc(Cl)cc1F	885107882	QYMGXXJHWICZQI-SSDOTTSWSA-N	308.762	1.603	50	20	DDGD	
COc1cc(NNC(=O)N[C@@H](C)c2ncn(C)n2)ccc1Cl	789218839	GWKKNLOLZDAGMK-QMMMGPOBSA-N	324.772	1.864	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2nccnc2Cl)c2ccccc21	789907382	TXEMOPAAZFGQED-JTQLQIEISA-N	302.721	1.943	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)Cc2cnn(C)c2)cc1O	882051666	UUZCKZIWLUGUJK-LLVKDONJSA-N	316.361	1.074	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1nccn2ccnc12	780737875	DVEYWERDGMHSIA-UHFFFAOYSA-N	311.301	1.273	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1CCc2ccc(OC)cc21	887147980	JUSKVOLEIRHFIN-CQSZACIVSA-N	300.358	1.676	50	20	DDGD	
O=C(CCc1ccc(O)nc1)NNc1ccccc1[N+](=O)[O-]	786607248	SCJBZKFEDFLSHS-UHFFFAOYSA-N	302.290	1.771	50	20	DDGD	
C#CCOc1ccc(NC(=O)C(=O)NNc2ccccn2)cc1	784796227	IEAJFUGLEYHMIQ-UHFFFAOYSA-N	310.313	1.175	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cnn3cccnc23)cc1	883990609	URJBERNRRUOZOS-UHFFFAOYSA-N	309.329	1.367	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2cc(C)nc(C)n2)ccn1	787894705	NOVKMEZQHZFGOR-UHFFFAOYSA-N	301.306	1.032	50	20	DDGD	
CC(C)CN(CC(N)=O)C(=O)[C@@H](Br)C(C)(C)C	781073056	AXBOJVUAMWCUEH-SNVBAGLBSA-N	307.232	1.766	50	20	DDGD	
CC(C)[C@H](NC1CCOCC1)C(=O)NNc1ccc(C#N)cn1	899662281	QWLUJAGQXJGXHM-HNNXBMFYSA-N	317.393	1.190	50	20	DDGD	
COCC(=O)NN[C@H](C(=O)OC)c1ccccc1C(F)(F)F	782900582	MDVWVSIWNNMZAL-NSHDSACASA-N	320.267	1.187	50	20	DDGD	
O=C(NNC(=O)c1ccn(CC(F)F)n1)NC1CCCC1	789916610	ISYNDCCGKSOJMF-UHFFFAOYSA-N	301.297	1.035	50	20	DDGD	
O=Cc1ccc(OCC(=O)NNc2ncncc2Cl)cc1	781819784	KPBCWKGDXIZJEB-UHFFFAOYSA-N	306.709	1.465	50	20	DDGD	
CCC1(CO)CCN(S(=O)(=O)CBr)CC1	782471251	CMBSUWGHYVQCMM-UHFFFAOYSA-N	300.218	1.153	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@H]1CC(c2cccnc2)=NO1	790950760	SXAVGCDHDRFSGL-LLVKDONJSA-N	318.724	1.161	50	20	DDGD	
CCc1ccc(S(=O)(=O)NNC(=O)c2cccc(C)n2)cc1	794599919	URBJXJORVDFJJN-UHFFFAOYSA-N	319.386	1.576	50	20	DDGD	
Cn1nncc1C(=O)NNc1ccnc2cc(Cl)ccc12	799098723	XBXWQPIXOCAQSU-UHFFFAOYSA-N	302.725	1.774	50	20	DDGD	
C[C@H]1CC[C@@H](CNC(=O)NNC(=O)COCc2ccccc2)C1	792954962	ROXKWVTYWKOAHD-DZGCQCFKSA-N	319.405	1.970	50	20	DDGD	
CC(CN1Cc2ccccc2C1)=NNC(=O)N1CCOCC1	792635266	DECYGVYEFVVYDE-UHFFFAOYSA-N	302.378	1.420	50	20	DDGD	
C=C(CBr)CN1CCS(=O)(=O)[C@@H]2CCCC[C@H]21	791472221	GGEIQVUWWGLRBP-VXGBXAGGSA-N	322.268	1.979	50	20	DDGD	
CCc1ccnc(CNC(=O)NNC(=O)c2cccc(C)n2)c1	798079557	HJCQGUAFUVLRJU-UHFFFAOYSA-N	313.361	1.492	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)C1CCS(=O)(=O)CC1	799757013	QBGIUUWPUXAJPW-UHFFFAOYSA-N	310.419	1.825	50	20	DDGD	
Cn1cnc(C=NNC(=O)c2cc(-c3cccs3)[nH]n2)c1	794524318	KHSUIMGUTJKQIP-UHFFFAOYSA-N	300.347	1.636	50	20	DDGD	
COc1ccc(OCC(=O)NNc2nc3ccccn3n2)cc1	791249361	SXPQGSSIZLUGEK-UHFFFAOYSA-N	313.317	1.260	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cnn(CC)c1C(F)(F)F	799237908	OXWBEHDBITXVGP-UHFFFAOYSA-N	322.291	1.620	50	20	DDGD	
O=C(CO)NN=C1CCc2c(Br)cc(Cl)cc21	1319849504	QYHDANREIGBGQA-UHFFFAOYSA-N	317.570	1.861	50	20	DDGD	
C=CCCOCCNC(=O)NNC(=O)c1ccccc1Cl	1319731935	ZSEHTQQUTCAQHW-UHFFFAOYSA-N	311.769	1.877	50	20	DDGD	
O=C(O)CC[C@H]1CCCCN1S(=O)(=O)CBr	390270316	RMIRFXFGYHGNMI-MRVPVSSYSA-N	314.201	1.388	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)C1(O)Cc2ccccc2C1	1320995641	YJXQIHZGNCOUOR-UHFFFAOYSA-N	312.373	1.573	50	20	DDGD	
Cc1nc(-c2ccccc2NC(=O)NNC(=O)CCO)cs1	1321144403	FIICLQPMLUEBNO-UHFFFAOYSA-N	320.374	1.654	50	20	DDGD	
Cc1nnc([C@H](C)NC(=O)NNC(=O)CC(F)(F)F)s1	1321069718	DAIRQMINSCNTNE-BYPYZUCNSA-N	311.289	1.190	50	20	DDGD	
CC(C)NC(=S)NNC(=O)Cc1ccc(OCC#N)cc1	1321708269	QHMFKHRBRARTPP-UHFFFAOYSA-N	306.391	1.035	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)Nc1ccc(F)cc1Cl	1325268206	SEMISMDFTYSDIK-UHFFFAOYSA-N	314.748	1.631	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)c1cc2n(n1)CCCC2	1324659736	JHMQMJADDZTATM-UHFFFAOYSA-N	318.764	1.948	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccc(OC)c(Br)c1	1323495211	CNYHKJZFNWCRSC-UHFFFAOYSA-N	315.123	1.081	50	20	DDGD	
Cc1cc(C)n(-c2ccc(C(=O)NNc3ccn(C)n3)cn2)n1	1326697317	LCIUTGJZPDGRFD-UHFFFAOYSA-N	311.349	1.375	50	20	DDGD	
CC(=O)NNC(=O)Nc1cc(C)c(Br)c(C)n1	1324152735	BDLAGNWEVLVAJS-UHFFFAOYSA-N	301.144	1.634	50	20	DDGD	
CC(=NNC(=O)CCO)c1oc2cc(C)ccc2c1CC(=O)O	1324202449	ROQCQOKHWARALX-UHFFFAOYSA-N	318.329	1.591	50	20	DDGD	
CN(C)[C@@H]1CCCC[C@@H]1NC(=O)NNc1ncc(F)cc1F	1330848058	VFZDXOAERKNMRM-NWDGAFQWSA-N	313.352	1.859	50	20	DDGD	
C[C@@H](O)c1cn(C2CN(C(=O)c3cccc(CCl)c3)C2)nn1	1336434699	RJUPUUKXBBTSPE-SNVBAGLBSA-N	320.780	1.767	50	20	DDGD	
O=C(NNc1cccc(Cl)c1)[C@H]1CCc2nnc(O)n2C1	1336906693	FEWYGFLKKPUNDQ-QMMMGPOBSA-N	307.741	1.343	50	20	DDGD	
CN1CC[C@@H]2CN(S(=O)(=O)c3ccc(CCl)cc3)C[C@@H]21	1339834721	FHGKEMARGAWLRY-OCCSQVGLSA-N	314.838	1.750	50	20	DDGD	
CC(C)CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)C1CCCC1	1346208316	PXOCLTWLVRMLDM-AWEZNQCLSA-N	323.437	1.751	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CCc1cccc([N+](=O)[O-])c1	1340170815	NGMWHEWQRBVGPP-UHFFFAOYSA-N	310.379	1.431	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NNC(=O)C(C)(C)C)c(C)c1	1341585369	ATWJQIPWNQRCLL-UHFFFAOYSA-N	306.366	1.553	50	20	DDGD	
CC(C)(C=NNC(=O)Nc1cc(F)cc(F)c1)S(C)(=O)=O	1347642623	NETOEGYZMCHSKS-UHFFFAOYSA-N	319.333	1.895	50	20	DDGD	
COc1cc(C)cnc1C(=O)NNc1ccc(C(=O)O)c(F)c1	1607149689	BJGQCBZJZOKHRW-UHFFFAOYSA-N	319.292	1.993	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cc(C3CC3)[nH]n2)c(F)c1	1602383300	DAEIDORKHMZRTQ-UHFFFAOYSA-N	304.281	1.881	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2C[C@@H]3CCC[C@]3(C(=O)O)C2)cn1	1608108889	FIGBSTXSMGLIKN-JZADBWSGSA-N	314.345	1.040	50	20	DDGD	
N#C/C(=C/c1cccc(-c2nn[nH]n2)c1)C(=O)C1CCOCC1	1609493242	KFAWFMDBDPHWCB-ZROIWOOFSA-N	309.329	1.769	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNc1cccc(C(=O)O)c1	1609883139	NVMXHORJKJAZTM-ZDUSSCGKSA-N	319.361	1.619	50	20	DDGD	
O=C(NCCN1CCSCC1)NNc1cccc(C(=O)O)c1	1608446075	BKCFJGSJSAPQOH-UHFFFAOYSA-N	324.406	1.060	50	20	DDGD	
O=C(Cc1c[nH]c2cnccc12)NNc1ccc(C(=O)O)cn1	1601353357	NNHIOQZTOWVYHQ-UHFFFAOYSA-N	311.301	1.342	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)[C@H]1CC[C@@H](CCC(=O)O)O1	1600233044	AXFPEJMQKLADQH-WCQYABFASA-N	310.325	1.990	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@H]2CCc3ncncc3C2)c1	1602448639	VHGNUFJLPIUAEA-SNVBAGLBSA-N	312.329	1.423	50	20	DDGD	
O=C(CCCc1ccccc1)NN=Cc1cc(C(=O)O)no1	1610657410	VGIXTWMJHAERHV-UHFFFAOYSA-N	301.302	1.846	50	20	DDGD	
COC[C@H](C)C(C)=NNC(=O)[C@@H]1CCCO[C@@H]1c1nccn1C	1549310030	KRPLVSZSWOXAQW-YUTCNCBUSA-N	322.409	1.662	50	20	DDGD	
CCc1cccc(F)c1C=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549318613	CNBMNRORZAYQIP-XJKSGUPXSA-N	319.380	1.701	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1c(F)cncc1F	1550697657	VWDXEVALDLPBFQ-GXFFZTMASA-N	324.331	1.063	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@@H]2C=NNC(=O)[C@@H]2CCCCO2)cn1	1552454948	SQGYHGMGVGTEFL-VHDGCEQUSA-N	320.393	1.559	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1ccccc1[N+](=O)[O-]	1574578608	JUGTYJVAZLDVQE-UHFFFAOYSA-N	302.246	1.445	50	20	DDGD	
CCCNNC(=O)[C@@H]1CC(=O)N(CC)[C@@H]1c1cccc(C)c1	1577574650	LAWRHQQTMSNRNR-GDBMZVCRSA-N	303.406	1.935	50	20	DDGD	
CNNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12	1578745036	QQVMCBMLPWPLNV-UHFFFAOYSA-N	308.341	1.309	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ncccc1C(=O)O	1589113765	QOKFSQCXNNGBGN-QMMMGPOBSA-N	324.337	1.136	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)c1ccncc1	1588998413	ALTXNNYPRWAUKK-SNVBAGLBSA-N	309.333	1.509	50	20	DDGD	
C/C(=C\c1ccco1)C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1588772708	QBCVILOORISXDB-VQHVLOKHSA-N	311.305	1.401	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](C(=O)O)c1ccc(OC)c(O)c1	1596862108	MZGSZGADZSRQPO-CHOZFAJLSA-N	320.301	1.087	50	20	DDGD	
Cc1cccnc1/C=C\C(=O)NNc1cccc(-c2nn[nH]n2)c1	1592264423	RFVFIRBYCITMSM-FPLPWBNLSA-N	321.344	1.727	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](C)C(=O)O)cc1Cl	1593883066	PPPQIPPCVZIOHX-LURJTMIESA-N	300.698	1.290	50	20	DDGD	
CN1CCC(CC(=O)NNc2cccc(C(=O)O)c2F)CC1	1598580069	OZPLTLUKTMJAFB-UHFFFAOYSA-N	309.341	1.699	50	20	DDGD	
CC1(C)CCCC[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1590094057	CKYCBFFABBIVLI-LLVKDONJSA-N	315.381	1.921	50	20	DDGD	
C[C@H]1C(=NNC(=O)c2ccc(CN(C)C)o2)CC[C@@H]1CC(=O)O	1594120421	IUPZRZQQNSWIMH-GHMZBOCLSA-N	321.377	1.948	50	20	DDGD	
COc1cc(NNC(=O)c2cnc(C(=O)O)cn2)ccc1Cl	1599444943	ONAJJWQRIVJSLV-UHFFFAOYSA-N	322.708	1.594	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@H](C)c1ccc(-c2nn[nH]n2)cc1	1590748270	ATADNFKSQCHEJW-QQMDNXKGSA-N	312.333	1.488	50	20	DDGD	
CCC[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1590653894	OUUWSSUWQQVPRR-VXGBXAGGSA-N	314.349	1.064	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cc(C(=O)O)[nH]n1	1594068005	RBQGCABBENGVOC-UHFFFAOYSA-N	307.218	1.244	50	20	DDGD	
COC[C@H](CCNC(=O)NNc1cccc(C(=O)O)c1)OC	1599162618	CTGIXPCIDPTZLC-LBPRGKRZSA-N	311.338	1.062	50	20	DDGD	
COc1cc(NNC(=O)NCCCC(=O)O)ccc1Cl	1594066696	TXVFSSOFXVZJQI-UHFFFAOYSA-N	301.730	1.840	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)Nc1ccc(C(=O)O)cc1	1776045474	NDMYKLHLWURVDC-UHFFFAOYSA-N	316.321	1.460	50	20	DDGD	
COCC(=O)NN=Cc1cccc(Br)c1C(=O)O	1776048532	DTUGKBIONLNALE-UHFFFAOYSA-N	315.123	1.244	50	20	DDGD	
O=C(CCc1nc(-c2ccsc2)no1)NNC(=O)C1CC1	15426920	UVFZBKGYCFEVDX-UHFFFAOYSA-N	306.347	1.288	50	20	DDGD	
O=C(NNC(=S)NC1CC1)c1cccc(OC(F)F)c1	15909321	VZFQXPKNMFRHER-UHFFFAOYSA-N	301.318	1.559	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H](C)CN2CCC[C@H](C)C2)nc1	157508977	KGWLSBXFEWIUFT-QWHCGFSZSA-N	321.425	1.837	50	20	DDGD	
CN1C(=O)c2ccc(C(=O)NNc3ccc(C#N)cc3)cc2C1=O	155326976	UWZWGWVNKWSEPD-UHFFFAOYSA-N	320.308	1.541	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)CCc2ccccc2)n(C)c1	154161796	RGESNSQBRNUHHG-UHFFFAOYSA-N	313.357	1.622	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccc(CNC(N)=O)cc2)cc1	155462234	FVBHCFONSMSRRV-UHFFFAOYSA-N	309.329	1.483	50	20	DDGD	
C#CCSCCNC(=O)NNC(=O)[C@@H](CC)c1ccccc1	154836902	YZXKXYOLSLBQSG-AWEZNQCLSA-N	319.430	1.877	50	20	DDGD	
O=C(NCCc1cccnc1)NNc1ncnc2ccsc12	159484264	HHQIQMXZAPDLKH-UHFFFAOYSA-N	314.374	1.955	50	20	DDGD	
CN(NC(=O)CSc1nncs1)C(=O)OC(C)(C)C	297806886	WOKNFTNMMSSEDZ-UHFFFAOYSA-N	304.397	1.528	50	20	DDGD	
C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(CCCl)cc2)CO1	402342052	WNYXCGSIQYNEJD-PWSUYJOCSA-N	303.811	1.924	50	20	DDGD	
O=S(=O)(CCl)NC[C@H]1CCN(Cc2ccccc2)C1	309874143	HMSJORZLMFSKNZ-CYBMUJFWSA-N	302.827	1.624	50	20	DDGD	
CSSCCNS(=O)(=O)Cc1ccc(C(=O)O)cc1	397883070	ZWIAUFHGLPDTPB-UHFFFAOYSA-N	321.445	1.815	50	20	DDGD	
CC[C@H](O)[C@@H]1CCCCN1S(=O)(=O)CBr	782462779	MEEPHVGUMAYINZ-IUCAKERBSA-N	300.218	1.294	50	20	DDGD	
Cc1cccc(C(=O)N[C@@H](C)C(=O)NNC(=O)CC(C)(C)C)c1	103199092	QXECLOITTIFJBA-LBPRGKRZSA-N	319.405	1.697	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)Nc2cccnc2)cc1	56516661	SPJNISWQXXNKJH-UHFFFAOYSA-N	314.345	1.876	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](CCN(C)C)C(C)(C)C)nn1	116439890	BKMORGDPHUSFHM-GFCCVEGCSA-N	308.430	1.778	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)n1C	24298545	QKVKOAJBZJHABY-LLVKDONJSA-N	319.336	1.701	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@H]1COc2ccccc21	113041917	ZBZOBSPWVLRWFG-HNNXBMFYSA-N	310.353	1.943	50	20	DDGD	
Cc1cc(C)c(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)o1	175387476	ZXMBPAZPUNPPPJ-NSHDSACASA-N	300.380	1.002	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCCCc1ccccc1	103504991	UPHCTXFHTVUKBU-UHFFFAOYSA-N	312.373	1.587	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNc2c(F)cccc2F)c(=O)[nH]1	118509927	QHPAGNPYRQQCGP-UHFFFAOYSA-N	308.288	1.351	50	20	DDGD	
COc1cccc(CCC(=O)NNc2nc(C)cc(OC)n2)c1	174500057	PWLMOJDBTIOXFM-UHFFFAOYSA-N	316.361	1.878	50	20	DDGD	
N#Cc1cccc(NNC(=O)C(=O)Nc2c(F)cccc2F)c1	119496979	AYODJQUAWGJCQU-UHFFFAOYSA-N	316.267	1.918	50	20	DDGD	
C[C@H](CS(C)(=O)=O)C(=O)NNc1cccc2cnccc12	178508631	CFNFFYUNZAIEJG-SNVBAGLBSA-N	307.375	1.359	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@H]2C[C@@H]2C2CC2)o1	175869950	JCBRSYIGMLBGHL-KGLIPLIRSA-N	319.405	1.929	50	20	DDGD	
CCCCNC(=O)NNC(=O)C1(c2ccccc2)CCOCC1	64883242	NELYDDWGBJNXSQ-UHFFFAOYSA-N	319.405	1.865	50	20	DDGD	
C[C@H](OC[C@H]1CCCCO1)C(=O)NNc1ccc(Cl)nn1	118504165	BXPFNFTZVPXDNN-VHSXEESVSA-N	314.773	1.547	50	20	DDGD	
CC(C)N(C)CCNC(=O)NNC(=O)Cc1ccccc1F	66926502	SJTWFZLYIOHDRN-UHFFFAOYSA-N	310.373	1.039	50	20	DDGD	
C[C@H](CS(C)(=O)=O)NC(=O)NNc1ccc(Cl)c(F)c1	175510765	ZCLFNBLEKZZYRK-SSDOTTSWSA-N	323.777	1.538	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCc2ccccc21	177914533	STLHXTPVHGRJHP-UHFFFAOYSA-N	323.396	1.748	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)NC2CC=CC2)cc1	127150255	PJYZQEZQWYYOJA-UHFFFAOYSA-N	303.366	1.807	50	20	DDGD	
COC[C@H](Cc1ccccc1)N(C)C(=O)NNC(=O)C(C)(C)C	189526299	ZFUIXHBLJOXFLO-AWEZNQCLSA-N	321.421	1.963	50	20	DDGD	
COC[C@H](C)NC(=O)NNC(=O)Cc1c[nH]c2ccccc12	125641330	KDKVCSUGGCDKDM-JTQLQIEISA-N	304.350	1.076	50	20	DDGD	
O=C(CO)NNC(=O)c1cc(-c2ccccn2)ccc1Cl	182741828	BOQIKALUDQCNSJ-UHFFFAOYSA-N	305.721	1.155	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](C)NC(=O)CC(C)(C)C)nc1	187463754	UZOOZHBFDXCEPY-JTQLQIEISA-N	308.382	1.474	50	20	DDGD	
CC(C)Oc1ncccc1NC(=O)NNC(=O)c1ccc[nH]1	184107081	MGVQUVHNZDVZCK-UHFFFAOYSA-N	303.322	1.663	50	20	DDGD	
C=CCN(C)S(=O)(=O)c1ccc(NC=C(C#N)C#N)cc1	127484757	XOMOFDSCYXWUFC-UHFFFAOYSA-N	302.359	1.836	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1cc(F)ccc1F	124410107	DJCOWZXZFAFFET-UHFFFAOYSA-N	320.295	1.943	50	20	DDGD	
O=C(NNc1ccncc1)Nc1cc(-n2cnnn2)ccc1F	121959587	DOGRZDSTHRRZCF-UHFFFAOYSA-N	314.284	1.345	50	20	DDGD	
CCc1cccc(CC)c1NC(=O)NNC(=O)Cc1cc[nH]n1	182835668	PTYQFZDHFGOSOK-UHFFFAOYSA-N	315.377	1.930	50	20	DDGD	
CCCNC(=O)NNC(=O)CCc1cccc(OC(C)(C)C)n1	126908267	YXOVEUGSGKQGDW-UHFFFAOYSA-N	322.409	1.932	50	20	DDGD	
COCCN(C)CCCNC(=O)NNc1c(C)cccc1F	185169000	SAJZKFXLICXYMN-UHFFFAOYSA-N	312.389	1.729	50	20	DDGD	
Cc1sc2ncc(C(=O)NNc3ccccn3)c(=O)n2c1C	181262520	JFQPBNLSQKZNOR-UHFFFAOYSA-N	315.358	1.525	50	20	DDGD	
O=C(Cc1cccc(C(F)(F)F)c1)NNC(=O)[C@@H]1CCCO1	32262777	MBCPAFPVFPVWSU-NSHDSACASA-N	316.279	1.574	50	20	DDGD	
Cc1cc(C)c(OCC(=O)NNC(=O)Cc2cc[nH]n2)c(C)c1	186150448	BLQGUVMNTVHMNI-UHFFFAOYSA-N	316.361	1.104	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)C(=O)Nc1ccc(F)nc1	189199145	YJCZUZCXGGXZJN-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)nc1	132610055	JFHALJUPBAYCOL-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1	133978186	FAUDFBXEJOVMOP-CYBMUJFWSA-N	320.349	1.829	50	20	DDGD	
Cc1ccc(-c2nc(C(=O)NNC(=O)NC3CC3)cs2)o1	138632528	BJCZSTHESSPGMY-UHFFFAOYSA-N	306.347	1.818	50	20	DDGD	
C[C@H]1CC[C@@H](CC(=O)NNC(=O)Cc2cn3ccccc3n2)C1	133168223	FRISQCLYKVLIBH-QWHCGFSZSA-N	314.389	1.851	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCCCC2)c1csnn1	78752894	CHNGDTYQOYXMRX-UHFFFAOYSA-N	322.415	1.943	50	20	DDGD	
CCOc1cc(C)ccc1NC(=O)C(=O)NNc1ccccn1	181406458	KKYLZMAKNAPPLG-UHFFFAOYSA-N	314.345	1.871	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)CSc1nncs1	132456725	ZPHLRSUPYGYKPF-UHFFFAOYSA-N	322.415	1.410	50	20	DDGD	
CN(C)c1ccnc(C(=O)NNC(=O)c2ccc(Cl)nc2)c1	195495670	ICAUIJKBHDZEQB-UHFFFAOYSA-N	319.752	1.271	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2cccc(C)c2C#N)c1	190041985	ZZSPGGWMESAAIK-UHFFFAOYSA-N	309.329	1.652	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc2ccccc2oc1=O	131951280	OZYVDRSYYRLWTH-UHFFFAOYSA-N	312.285	1.349	50	20	DDGD	
Cc1ccnc(NNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c1	88424542	KUHGVQDRKKBZFV-UHFFFAOYSA-N	318.337	1.645	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)c1cccc2ncccc12	80090518	SHPJTYLDQCZOCQ-UHFFFAOYSA-N	313.357	1.979	50	20	DDGD	
CCS(=O)(=O)c1ccc(C(=O)NNC(=O)C(C)(C)C)cc1	194872020	NMHDLULCXDSDOK-UHFFFAOYSA-N	312.391	1.287	50	20	DDGD	
N#CCOc1ccccc1C(=O)NNC(=O)c1ccc(C#N)cc1	195397518	NSIMPZIXOORKGP-UHFFFAOYSA-N	320.308	1.535	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc(F)cc3nccnc23)n1	193632367	AFRXPIXMZVOZFD-UHFFFAOYSA-N	312.308	1.933	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C1=Cc2cc(F)ccc2OC1	90090956	AMSULWOXPRYYAN-UHFFFAOYSA-N	315.304	1.401	50	20	DDGD	
O=C(O)c1ccc(F)c(S(=O)(=O)NCC(Cl)Cl)c1	385272242	PCKYZRLMLUPLOF-UHFFFAOYSA-N	316.137	1.606	50	20	DDGD	
Cn1c(=NNC(=O)c2ccc([N+](=O)[O-])o2)sc2ccccc21	255405451	FAJNEWVBTRZRCJ-UHFFFAOYSA-N	318.314	1.987	50	20	DDGD	
O=C(NN=Cc1ccc(O)c([N+](=O)[O-])c1)c1ccccc1O	254706229	ZTWLXTGAWXZVTR-UHFFFAOYSA-N	301.258	1.770	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cncn1-c1ccccc1	269378257	GFDDLOWOQYWFRI-CQSZACIVSA-N	314.345	1.202	50	20	DDGD	
CO[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ccccc1O	266806727	ORDIRUCGRSMANI-AAEUAGOBSA-N	307.350	1.294	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)c1cnn(C)c1	266462902	DUTSHNJQOITHIC-JTQLQIEISA-N	319.340	1.193	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)c(OC)c1	269389289	BAFFAZWABWHHGW-LBPRGKRZSA-N	308.334	1.034	50	20	DDGD	
CCOCCC(=O)NNC(=O)c1ccc(OCC)c(OC)c1	263985172	KVRFILHOSRPSNV-UHFFFAOYSA-N	310.350	1.282	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1nnc(-c2ccco2)s1	273503797	RHUOYZWIAQFOTF-SSDOTTSWSA-N	309.351	1.997	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc(C(C)C)nc1	271287143	OUXDAQKLMLWBQG-UHFFFAOYSA-N	312.464	1.677	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(C)c(Cl)c1	276227634	PMQIYBJFFCIWDY-UHFFFAOYSA-N	312.757	1.279	50	20	DDGD	
COc1cc(C(=O)NNc2cccc(C(F)(F)F)n2)nn1C	275085728	GNFDQDUDVAZRAN-UHFFFAOYSA-N	315.255	1.599	50	20	DDGD	
CC[C@H]1C[C@@H](CC(=O)NNC(=O)Cn2nc(C)cc2C)CCO1	272988583	SKACAZYKMALQFH-KBPBESRZSA-N	322.409	1.243	50	20	DDGD	
Cc1cc(NNC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)ncn1	370286134	SNYDNCNJTJMXQC-QJRTVWDNSA-N	316.405	1.950	50	20	DDGD	
C=C[C@](C)(CC)C(=O)NNC(=O)Cn1cnc2ccccc21	276188991	UCSWYMSRHBVTIK-MRXNPFEDSA-N	300.362	1.786	50	20	DDGD	
CC(C)(C)[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1ccccc1	276736551	DINDBKAISNYAQT-KBPBESRZSA-N	319.405	1.968	50	20	DDGD	
Cn1ncc(C(=O)NNc2nnc(C3CC3)s2)c1C1CC1	273620375	MOJRWLNGVIAKKW-UHFFFAOYSA-N	304.379	1.783	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CC(=O)N(Cc2ccc(C)cc2)C1	286304377	KABNDZPSELRTPW-ZDUSSCGKSA-N	319.361	1.073	50	20	DDGD	
CCn1nc(C)c(S(=O)(=O)NCCSSC)c1C	284639156	LIVSMANKVBMJBT-UHFFFAOYSA-N	309.482	1.809	50	20	DDGD	
CC(C)OCCCNC(=O)NNc1ccc(-n2ccnc2)nn1	286342202	BBZFCJPYAQIVQI-UHFFFAOYSA-N	319.369	1.104	50	20	DDGD	
CN(Cc1ccccc1N(C)C)C(=O)NNC(=O)C(C)(C)C	288700315	UPFIMFZBCUEADN-UHFFFAOYSA-N	306.410	1.971	50	20	DDGD	
COCCN(C)NC(=O)COc1cc(Cl)cc(Cl)c1	288478694	ROUZOBSCYLZMKP-UHFFFAOYSA-N	307.177	1.982	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@H]2COCCN2C2CCCC2)c1	376888620	QLCOAKCDABOEQV-CQSZACIVSA-N	304.394	1.477	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnn(C(C)(C)C)c1CC	281302070	RLSPXEAMPDDGAM-UHFFFAOYSA-N	309.439	1.495	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccnc(O[C@H](C)CC)c1	281160898	IDDHVDZYPMNNPF-SNVBAGLBSA-N	308.407	1.554	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@H]1C(=O)NNC(=O)COc1ccc(F)cc1	281369910	WQAZHLNZGFUUKM-QMTHXVAHSA-N	322.336	1.357	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@](C)(O)[C@@H](C)c1ccccc1	281373717	WUIMXJIIEIOOGV-XHDPSFHLSA-N	307.419	1.222	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cc(=O)c2ccc(F)cc2o1	285932030	LTCNTDKLRACUDW-UHFFFAOYSA-N	304.277	1.493	50	20	DDGD	
C[C@@H](CN(C)C)NC(=O)NNC(=O)c1cccc2ncccc12	287962837	HZEOICCJMSZQLE-NSHDSACASA-N	315.377	1.129	50	20	DDGD	
COc1cccnc1CC(=O)NNc1cccc([N+](=O)[O-])c1C	807120950	OEJCGBXJLKBLQT-UHFFFAOYSA-N	316.317	1.993	50	20	DDGD	
CC(=O)NCCc1ccc(-c2csc(NNC(N)=O)n2)cc1	800722143	WTYXQDLNHOGYNH-UHFFFAOYSA-N	319.390	1.484	50	20	DDGD	
CC1CC(C#N)(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)C1	802097352	SBSOTKYTVAGMOA-UHFFFAOYSA-N	316.317	1.508	50	20	DDGD	
CCc1noc(CC)c1CNC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	298073862	WNCPAZAYGPJFMB-ZANVPECISA-N	324.381	1.197	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc2nc[nH]c2n1	805372729	DHTACAACVDFITC-UHFFFAOYSA-N	312.289	1.931	50	20	DDGD	
CCO[C@H](CNC(=O)NNc1ccncn1)c1ccccc1	297109105	YMSFPXSXOHRGEU-CYBMUJFWSA-N	301.350	1.881	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc(Cl)c(F)c1	295322721	GQZHSQYGKIHLOY-NSHDSACASA-N	300.717	1.809	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN(c2ccccc2F)C1)C1CCC1	290859167	RRKGODPRQZHIPX-LBPRGKRZSA-N	305.353	1.600	50	20	DDGD	
CCCN(CC)C[C@@H](C)NC(=O)NNC(=O)c1ccccc1	291108561	LHAWZBHQOIYLLK-CYBMUJFWSA-N	306.410	1.751	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	298142010	DLAKMQFPCGNLQK-UHFFFAOYSA-N	324.381	1.091	50	20	DDGD	
COc1ccc(-c2cc(C(=O)NNC(=O)C3CCC3)[nH]n2)cc1	299199631	MIWLRASOHTUVIS-UHFFFAOYSA-N	314.345	1.646	50	20	DDGD	
CCOc1cnc(C(=O)NNc2nccnc2C2CCC2)cn1	805463058	KGGZCNKVKJZGRP-UHFFFAOYSA-N	314.349	1.690	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1ccnc2ccncc12	806823909	FGGPQAYGPRUXQS-UHFFFAOYSA-N	324.315	1.773	50	20	DDGD	
CN(C)N(C(=O)c1ccc2cc[nH]c2c1)[C@@H]1CCS(=O)(=O)C1	298829878	VTFYHDQJOHLXOK-CYBMUJFWSA-N	321.402	1.274	50	20	DDGD	
O=C(CCc1ncc[nH]1)NNC(=O)Cc1ccc2ccccc2c1	806491244	GERAZTVVZVCYDA-UHFFFAOYSA-N	322.368	1.886	50	20	DDGD	
O=C(CCc1ccccc1F)NNC(=O)N=c1cc[nH]cc1	802033511	ASFPZJPZFCFENV-UHFFFAOYSA-N	302.309	1.428	50	20	DDGD	
C[C@H](CNC(=O)NNc1ncncc1F)N(C)c1ccccc1	292766095	SIVMIYVUYYKXPR-LLVKDONJSA-N	318.356	1.767	50	20	DDGD	
CC[C@@H](C)[C@@H](C)NC(=O)NNC(=O)COc1ccccc1F	299150194	FSVHEIZNYYBSOZ-GHMZBOCLSA-N	311.357	1.970	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)[C@@H]1CCCSC1	810365559	VHYXSRRMMPAEOM-SNVBAGLBSA-N	310.375	1.062	50	20	DDGD	
CSSCCNC(=O)Cc1ccc(-n2cnnc2)cc1	819528885	IJGMDFFFEOZLMG-UHFFFAOYSA-N	308.432	1.937	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1csc(Cc2ccccc2)n1	816633789	MSIHLAVSOOPVHG-UHFFFAOYSA-N	300.347	1.609	50	20	DDGD	
O=C(O)CCCNC(=O)NNC(=O)c1cc2ccccc2o1	819442985	DZFIBEUGJMUHQO-UHFFFAOYSA-N	305.290	1.242	50	20	DDGD	
Cn1nnc(Br)c1C(=O)NNc1ccccc1F	810680055	CGRYBLWGGOYYTH-UHFFFAOYSA-N	314.118	1.474	50	20	DDGD	
CN1CCC[C@]2(CCN(CCI)C2)C1	815145485	VTTMWOMGCWROMS-NSHDSACASA-N	308.207	1.839	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CNC(=O)c1ccc(F)cc1	816628051	GBRHQUSDUBUSOX-UHFFFAOYSA-N	307.152	1.818	50	20	DDGD	
COCC(C)(C)CNC(=O)NNC(=O)Cc1ccccc1C	813839999	FSALDNWKNJHWIP-UHFFFAOYSA-N	307.394	1.541	50	20	DDGD	
O=C(NCC[C@@]1(O)C[C@H]2CC[C@H]1C2)NNC(=O)c1ccccc1	813784752	QLINZDIJIHTXFU-RVSPLBMKSA-N	317.389	1.572	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ccccc1S(C)(=O)=O)[C@@H](C)N	817935597	JIUKYPMOCRRZSO-MFKMUULPSA-N	313.423	1.153	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cccc(Cl)c1	728436983	LDABVUGWWSDMKM-SECBINFHSA-N	317.798	1.118	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C=NNC(=O)c2ccc[nH]2)c1C	725855363	ZVQORCQUDQAEAA-UHFFFAOYSA-N	302.334	1.900	50	20	DDGD	
COc1nc(C)cc(C)c1CNC(=O)NNC(=O)CC(C)C	727482332	NKONVAGBVRSNMK-UHFFFAOYSA-N	308.382	1.584	50	20	DDGD	
CC1(C(=O)NNC(=O)c2cc(Cl)ccc2O)CCOCC1	726798393	SYDAMVOASJOEPD-UHFFFAOYSA-N	312.753	1.623	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1ccc(Br)nc1	814954139	YKWHRZGAHDNSML-UHFFFAOYSA-N	308.139	1.260	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)NOCC2CCC2)c1	824021684	BMQYLOXOLXABCU-UHFFFAOYSA-N	321.377	1.744	50	20	DDGD	
O=C(NN=Cc1ccccc1-c1nn[nH]n1)c1ccc(O)cc1	826444614	NMWXXWYNXZZLCL-UHFFFAOYSA-N	308.301	1.336	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)NC2CCCC2)cc1O	824349331	NFMCCGRKNMYCDD-UHFFFAOYSA-N	305.334	1.481	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@](C)(C#N)CC(=O)O)cc1	820479924	JQNXRGICSGYABU-OAHLLOKOSA-N	303.318	1.015	50	20	DDGD	
O=C(Cc1ccccc1O[C@@H]1CCOC1)NN=c1cc[nH]cc1	828073178	NKCQEDDZAFWPCV-OAHLLOKOSA-N	313.357	1.357	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cccc(C(F)(F)F)c1	729970104	UCWIGEHSJXVMTM-UHFFFAOYSA-N	312.251	1.812	50	20	DDGD	
CN(C)CC(=O)NN=Cc1cccc(OCc2ccccn2)c1	727647839	KLNCUJYBDIMNNT-UHFFFAOYSA-N	312.373	1.672	50	20	DDGD	
C/C=C(/C=C\C(=O)NNC(=O)COc1ccccc1O)CC	492121590	XVLFRGUXLRVYJK-FKFYTSLUSA-N	304.346	1.831	50	20	DDGD	
CCc1ccc([C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C2)cc1	584993560	WYSXUVCIHJFQIF-KRWDZBQOSA-N	323.201	1.559	50	20	DDGD	
CCSc1ccc([C@@H](C)NCc2ccc(B(O)O)o2)cc1	585021467	AGZRKZKIAFWNSH-LLVKDONJSA-N	305.208	1.922	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@H](CN1CCCC1)c1ccccc1	823922676	MCBNLQZDHGNGJR-HOCLYGCPSA-N	305.422	1.210	50	20	DDGD	
COc1ccc(NCc2ccccc2B(O)O)cc1OC(C)C	585035371	RVKHNFZZRFWSIQ-UHFFFAOYSA-N	315.178	1.774	50	20	DDGD	
C[C@@]1(C(=O)NNc2nc3ccc(Cl)cc3s2)CCNC1=O	824717315	QMVUPDZTFBUNHS-CYBMUJFWSA-N	324.793	1.919	50	20	DDGD	
CC(C)Cn1cccc(C(=O)NNc2ccc(F)cn2)c1=O	828915484	LKHUQXZOSOAEAV-UHFFFAOYSA-N	304.325	1.795	50	20	DDGD	
CC(C)(CCC(=O)NNc1nc(O)c2ccccc2n1)[N+](=O)[O-]	826860667	LZHYVRPQIRLOHB-UHFFFAOYSA-N	319.321	1.614	50	20	DDGD	
CC(C)CCN1CCC(CNCc2ccc(B(O)O)cc2)CC1	585025873	FTXZVRIPKAUVGF-UHFFFAOYSA-N	318.270	1.214	50	20	DDGD	
CC(C)(C)C(=O)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	733936695	CAQHKYONXBANBW-UHFFFAOYSA-N	314.345	1.249	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	733110897	XGOIVAFTASJDCS-ZIAGYGMSSA-N	314.345	1.058	50	20	DDGD	
CC[C@@H](O)[C@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1OC	900045238	SUCZAOHIQCAREK-GZMMTYOYSA-N	314.769	1.517	50	20	DDGD	
COc1ccccc1C[C@H](C)CC(=O)N1CC[C@H](B(O)O)C1	585067628	UWTVHKGSSIEEBZ-JSGCOSHPSA-N	305.183	1.339	50	20	DDGD	
CN(CC(=O)OC(C)(C)C)C(=O)/C(C#N)=C\c1cnn(C)c1	491131484	LDQJRASRVPUFEK-SDQBBNPISA-N	304.350	1.127	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCO[C@H](Cc2ccccc2)C1	490813526	QAKOMCMQLRTBTC-UGEDRFTOSA-N	300.358	1.900	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)/C=C\C1CCCC1	830787664	HYNBGKGOAZJFBF-LAUAKBEESA-N	310.394	1.858	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@@H](C(=O)O)C1	833183887	LOISFDUZIYTKHC-VHSXEESVSA-N	307.306	1.929	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1C[C@H](C)Oc2ccccc21	732214468	SNBUNBKPFBMDEB-QWHCGFSZSA-N	319.405	1.856	50	20	DDGD	
CCOC(=O)[C@H](F)C1CN(C(=O)NCCSSC)C1	838586442	AOPGRJCYWDDOEM-SECBINFHSA-N	310.416	1.540	50	20	DDGD	
O=C(O)NCC(=O)NNc1ccc(Br)cc1F	833777144	FHNMZTGRDJTVKE-UHFFFAOYSA-N	306.091	1.299	50	20	DDGD	
CSc1ccc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1	730575866	JEJHCEOPOWMVIL-NSHDSACASA-N	312.416	1.293	50	20	DDGD	
CC[C@@H](O)[C@H](C)C(=O)NNC(=O)Cn1ccc2ccccc21	900590750	NKLNTFMLHCPDQW-SMDDNHRTSA-N	303.362	1.196	50	20	DDGD	
O=C(C[C@@H]1CC(=O)N1)NNc1ccc(Br)c(F)c1	832356106	DDWFQJMWBBWIGF-ZETCQYMHSA-N	316.130	1.310	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1c[nH]c2ccc(C(=O)O)cc12	739350216	VBGGUOCHEPPPQA-UHFFFAOYSA-N	322.324	1.954	50	20	DDGD	
CCOC(=O)NNC(=O)CC(C)(C)NC(=O)OC(C)(C)C	739675529	DKHHYEDYEKDIOM-UHFFFAOYSA-N	303.359	1.457	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNC(=O)COc2ccc(C)cc2)C1	838748488	JDUPQOKSXNXLDH-XBXGTLAGSA-N	321.377	1.272	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@@H](C)Oc2cccnc2)o1	735467530	ZOPSRSFECORJIW-SNVBAGLBSA-N	315.333	1.975	50	20	DDGD	
CN1CCO[C@H](C(=O)NNc2ccc(C(F)(F)F)cc2)C1=O	901164327	FUWWEMWVSQTYHM-SNVBAGLBSA-N	317.267	1.006	50	20	DDGD	
CCS[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(B(O)O)c1	584961446	VMWOVJHQPPTLFU-UONOGXRCSA-N	307.224	1.161	50	20	DDGD	
CC(C)(C)c1ocnc1-c1nc(-c2ccc(B(O)O)cc2)no1	585051714	LPBJVCNZSKSXEC-UHFFFAOYSA-N	313.122	1.369	50	20	DDGD	
C=CC(C)(C)CNC(=O)NNc1ccccc1S(C)(=O)=O	836593814	VEEGXYCSWGYDQL-UHFFFAOYSA-N	311.407	1.928	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2C[C@H]2C(=O)O)ccc1Br	738461449	CWCHUAOABNRTQP-RKDXNWHRSA-N	313.151	1.921	50	20	DDGD	
C[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)CC[C@@H]1c1ccccc1	584953615	XCYCTFPSIVRILA-KDOFPFPSSA-N	323.201	1.632	50	20	DDGD	
O=C1O[C@H]2C[C@H]1N(S(=O)(=O)c1ccc(CCCl)cc1)C2	831885299	ZWUOTFIKVYYNMU-CMPLNLGQSA-N	315.778	1.156	50	20	DDGD	
CCCCOC(=O)[C@H](C)OC(=O)/C(C#N)=C/c1cnn(C)c1	837971611	PUKCFWZPOCWJLR-DELQEKLWSA-N	305.334	1.602	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CCN(C)[C@@H]2C)cc1F	839789359	ZLYVCRQCJIGIEK-MWLCHTKSSA-N	309.341	1.396	50	20	DDGD	
C[C@@H](C[C@@H](C)N)NC(=O)NNC(=O)c1cccc2cccnc12	831203787	ZSKATLKHMKUDBE-MNOVXSKESA-N	315.377	1.305	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCCCN(C)C2CC2)n1	836681971	KIBLCHXDDJCCOZ-UHFFFAOYSA-N	306.414	1.594	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccnn1-c1ccccn1	836697617	VAUYAXYUZQTAOK-JTQLQIEISA-N	302.338	1.466	50	20	DDGD	
CSc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	831161386	XREUXJKDNHVOQB-CABZTGNLSA-N	309.391	1.986	50	20	DDGD	
C[C@@H](C1CC1)N(C)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	839460091	CRVOTCWBBHQTPM-JTQLQIEISA-N	320.349	1.086	50	20	DDGD	
CCOc1ncccc1C(=O)NNc1ccccc1C(=O)O	833664782	AEYPRUULOGQOHS-UHFFFAOYSA-N	301.302	1.935	50	20	DDGD	
CCn1nc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1C1CC1	831533963	CWQSMEJUYNBRSG-KOLCDFICSA-N	321.381	1.358	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccc3ccccc23)nn1	741575441	MWCNOZFZPKISQC-UHFFFAOYSA-N	322.324	1.713	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CC(N2CCOCC2)C1	911642211	FMPXFKGLWNADEP-LLVKDONJSA-N	319.243	1.339	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H]2C[C@@H](C)O[C@H]2C)c1	840433901	MVGNBQPCGTZLAK-MDZLAQPJSA-N	321.377	1.913	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2csc(C)n2)cc1	917031135	POXDJFRCADMNCK-UHFFFAOYSA-N	302.359	1.849	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)[C@@H](C)Oc2ccccc2F)[C@H]1OC	841612226	FTUXGPARXSGJJJ-VCTAVGKDSA-N	324.352	1.889	50	20	DDGD	
CCCCC(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1	744477548	NANYQEAZQISPQI-UHFFFAOYSA-N	303.318	1.053	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1cc([N+](=O)[O-])ccc1N	842549285	JBCLIYSKFGRFKN-KOLCDFICSA-N	306.322	1.442	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1cnn(-c2ccccn2)c1C	748251516	LBZODMDBHZNFLQ-UHFFFAOYSA-N	323.360	1.463	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCc2ccc(OC)cc21	748253197	MFOPIPQWFRDRJB-LLVKDONJSA-N	306.362	1.513	50	20	DDGD	
COCCN(C)NC(=O)c1cccc(CN2CCCCC2)c1	840454026	UPSJCRJKTLVHSO-UHFFFAOYSA-N	305.422	1.896	50	20	DDGD	
CC[C@H](C(=O)NNc1cnnc2ccccc12)N1CCCC1=O	743410722	ORLDIFZDOOZXPV-CQSZACIVSA-N	313.361	1.474	50	20	DDGD	
CC(=NNC(=O)Cn1nc(C)cc1C)c1cc(O)ccc1O	916345423	XYCMTKCOANVGGS-UHFFFAOYSA-N	302.334	1.452	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)N[C@@H]1CCN2CCC[C@H]2C1	745563733	VFEDEYXRCVABNH-PWSUYJOCSA-N	309.801	1.988	50	20	DDGD	
O=C(CCCc1cccnc1)NNC(=O)NCC(F)(F)F	847115467	HSWXRTUYKNHKDA-UHFFFAOYSA-N	304.272	1.297	50	20	DDGD	
CN(Cc1nc(=O)o[nH]1)C(=O)[C@H](Br)C(C)(C)C	911451573	MYFNXHWPVKYWDV-ZETCQYMHSA-N	306.160	1.131	50	20	DDGD	
Cc1ccc(Cl)c2c1NC(=O)C2=NNC(=O)[C@H]1CCO[C@H]1C	842559781	XKBXQPWFSOVZEK-IUCAKERBSA-N	321.764	1.846	50	20	DDGD	
CCC1CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC1	744389197	NUAQNVNIKVFVNS-UHFFFAOYSA-N	314.389	1.441	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1ccc(/C=C\C(=O)OC)o1	848638103	BYGCRCJJLKRKBC-WTVYDBEASA-N	318.329	1.525	50	20	DDGD	
C[C@H](CCc1ccccc1F)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843651837	FYZJFDSMYWRIFI-YRGRVCCFSA-N	322.380	1.967	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc2c1OCCCO2	844619461	FIKHBGSDXQUAEI-MNOVXSKESA-N	320.345	1.034	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H](c1ccccc1)n1cccn1	748718969	SQRUVZAAYVLZDA-CQSZACIVSA-N	315.377	1.603	50	20	DDGD	
N[C@@H]1CCC[C@@H](NC(=O)NNC(=O)c2ccc(Cl)cc2)C1	841981795	IXVUXUXDHBXUES-VXGBXAGGSA-N	310.785	1.554	50	20	DDGD	
Cc1nonc1CC(=O)NNc1ccccc1OC(F)(F)F	845960253	HBULHTIQBJDZNT-UHFFFAOYSA-N	316.239	1.962	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNC(=O)OCC(F)(F)F)ccn1	856021187	JHONCCBDHMVBEU-UHFFFAOYSA-N	321.255	1.802	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNc1ccc(C)c(C(=O)OC)c1	857263819	CXDIJFGEQDGPRR-JTQLQIEISA-N	322.361	1.814	50	20	DDGD	
COC[C@H](C)CC(=O)NNc1ccc(Br)nc1	755795172	DPNRDXOCBDMEOW-MRVPVSSYSA-N	302.172	1.960	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@H]1CCC[C@@H]1Cc1ccccc1	755073168	YFJZOPUMYLDOPH-IMJJTQAJSA-N	317.433	1.933	50	20	DDGD	
C[C@]1(CNS(=O)(=O)CCCCF)C[C@@H]1Br	856752491	KBNXWRZVXLEOBD-DTWKUNHWSA-N	302.209	1.829	50	20	DDGD	
CS(=O)(=O)Cc1ccc(C(=O)NNc2ccc(F)cc2)o1	751315876	QZWBDXWCFSVMLR-UHFFFAOYSA-N	312.322	1.720	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NNc2ncncc2Cl)C1	857864353	GKGDSOPPKXCUCJ-APPZFPTMSA-N	306.757	1.662	50	20	DDGD	
O=C(CCc1nc[nH]n1)OC[C@@H](CBr)C1CC1	859588933	LHCNBHVRPRHJRE-SECBINFHSA-N	302.172	1.702	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=Cc2cnc3ncccn23)cc1	755511520	WIUWZXRLXGMNPG-UHFFFAOYSA-N	320.312	1.130	50	20	DDGD	
CN1CC[C@H]1CNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	925393250	FTCSYTQBVSBWSU-ZZTKBFGJSA-N	320.437	1.237	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@H]2CCC(=O)N2C)c1F	854884958	UVFPAGZJTKCIIN-SECBINFHSA-N	323.324	1.066	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2CCN(C)C(=O)C2)c1	920431302	WMQDEJHQZHEWNB-NSHDSACASA-N	320.418	1.181	50	20	DDGD	
O=C(COCCNC(=O)c1ccccc1)NNc1ccccc1	752625979	CMOQUEZBQJQYKP-UHFFFAOYSA-N	313.357	1.576	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CN2[C@H]3CCC[C@H]2CC3)cc1	752344603	GHASBVCUNFUUTO-GJZGRUSLSA-N	312.373	1.336	50	20	DDGD	
COc1cc2ccc(C(C)=NNC(=O)CO)cc2cc1OC	853330299	XOUXVOPTTXQRMU-UHFFFAOYSA-N	302.330	1.690	50	20	DDGD	
COC[C@H]1CCCN1C(=O)NNC(=O)C(C)(C)c1ccccc1	752009643	GMLPIPVYHKHVNX-CQSZACIVSA-N	319.405	1.816	50	20	DDGD	
C=CCS(=O)(=O)CCNC(=O)NNc1ccc(C)c(F)c1	853979201	NMJZHGPAHWPYTP-UHFFFAOYSA-N	315.370	1.361	50	20	DDGD	
C[C@H]1C[C@H]1C=NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1	758367484	MNIOEDNECFUACI-JQWIXIFHSA-N	309.391	1.309	50	20	DDGD	
CN1CC[C@@]2(CCCN(C(=O)/C(C#N)=C/c3cnn(C)c3)C2)C1	854734815	DMVDWUCCRMUDLW-BXUGYJKXSA-N	313.405	1.271	50	20	DDGD	
O=C(CCc1ccc(F)cc1F)NNC(=O)c1ccccn1	751523105	IPVSTBQNHKSZEY-UHFFFAOYSA-N	305.284	1.754	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)NCC1(CC(N)=O)CC1	922930935	LCNOEWKOLYXPJR-UHFFFAOYSA-N	310.785	1.930	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccccn2)ccc1Cl	758039156	DVJOIWBDWWYOFB-UHFFFAOYSA-N	305.721	1.818	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)Cn2cccn2)c1C	851618041	HNGZSISYGNUPHF-UHFFFAOYSA-N	303.391	1.518	50	20	DDGD	
Cc1cc(NNC(=O)C2CCS(=O)(=O)CC2)ccc1Cl	928340982	JWUIXUDLGWERPK-UHFFFAOYSA-N	316.810	1.916	50	20	DDGD	
Cc1nn(C)cc1[C@H]1CCCN1CC(=O)NNC(=O)C(C)(C)C	759426886	TUVDNKPLLUYIQM-CYBMUJFWSA-N	321.425	1.059	50	20	DDGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCCS(=O)(=O)CC1	750045614	UTHZUFJAPINZJQ-LHHJGKSTSA-N	321.358	1.580	50	20	DDGD	
CC(C)c1cccc(OCC(=O)NNC(=O)c2cc[nH]n2)c1	855359105	GAVVXEMWXODJEZ-UHFFFAOYSA-N	302.334	1.373	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc2nc(C)c(C)nc2c1	854927769	GNIHOLLRDBSLMF-UHFFFAOYSA-N	303.391	1.328	50	20	DDGD	
CC[C@@H](C(=O)NNC(=S)N[C@H](C)C1CC1)N(CC)CC	855100894	LCBXSWZWMLIMRQ-PWSUYJOCSA-N	300.472	1.401	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cc(OC)n(C)n2)c1C	855624702	FBBOKLCOHLEWBE-UHFFFAOYSA-N	318.333	1.281	50	20	DDGD	
C[C@@H]1CN(C2CC2)CC1=NNC(=O)CCc1ccccc1O	755892756	CYESZUXNBCUECK-GFCCVEGCSA-N	301.390	1.911	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@@H]1CCCCCC(=O)C1)C1CC1	855097095	JEDRYUXMQLHVBD-ZYHUDNBSSA-N	311.451	1.820	50	20	DDGD	
C[C@@]1(CNC(=O)c2cnn3cccnc23)C[C@@H]1Br	857400148	BBNRHPRVHBXMOT-CABZTGNLSA-N	309.167	1.633	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C/c1cc(C(F)(F)F)nn1C	853000924	IPSQSGOOCPJMLN-DHFUWRPHSA-N	316.283	1.497	50	20	DDGD	
CSCCNC(=S)NNC(=O)Cc1ccc(C)c(C)c1	769768216	IHRMBRQMFFVMFF-UHFFFAOYSA-N	311.476	1.704	50	20	DDGD	
COCCOCC(=O)NNC(=O)CCCc1ccc(C)s1	869910406	ROEYDGOIMUTXMA-UHFFFAOYSA-N	314.407	1.190	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1c(OC)cc(F)cc1OC	865213488	AQHIRMQVBUKKNW-UXBLZVDNSA-N	309.293	1.939	50	20	DDGD	
CCOC(=O)N1CCC[C@@H](C(=O)NN=c2cc[nH]c(C)c2)C1	862509698	REVNTTKGVYIPIY-GFCCVEGCSA-N	306.366	1.124	50	20	DDGD	
Cc1nc2ccnn2c(C)c1C(=O)NN[C@H](C)C(F)(F)F	862315228	BBHBWCQQQGWNQB-MRVPVSSYSA-N	301.272	1.531	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@@H]1CCCc2cccnc21	768204479	KEYIVQSPEWZSAB-SECBINFHSA-N	301.268	1.601	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=C2CCN(C)C2=O)o1	761804519	UJXHSUPHECRJRG-UHFFFAOYSA-N	306.366	1.069	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)CCCC(C)=O	768277587	HDSBOAHZNOPXHW-UHFFFAOYSA-N	309.391	1.772	50	20	DDGD	
COc1ccc(OC)c(-n2nnnc2SC/C=C\C#N)c1	763305660	WBYAMWSWMFVIIL-ARJAWSKDSA-N	303.347	1.851	50	20	DDGD	
OB(O)c1ccc(CNc2ccc3nc(C4CC4)oc3c2)cc1	864030560	NFJNYAWMXFVXIB-UHFFFAOYSA-N	308.146	1.997	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1sccc1OC	769791667	RBICHSMMISPZIX-SNVBAGLBSA-N	300.380	1.648	50	20	DDGD	
Cc1c(C(=O)NNC(=S)N[C@@H](C)C2CC2)ccc2cncn12	1118774264	KGTKVNAGGSGFIZ-VIFPVBQESA-N	317.418	1.550	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2cc(Br)cs2)N1	863147039	XCUUWDMAFCSRIC-MRVPVSSYSA-N	316.180	1.239	50	20	DDGD	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NNC(=O)c1cn[nH]c1	862473140	GCFYPUMXCQMXRR-BNOWGMLFSA-N	322.409	1.648	50	20	DDGD	
CC[S@](=O)c1ccccc1C(=O)NNC(=S)NC(C)C	1115818031	WSVUOPHEVFQILF-FQEVSTJZSA-N	313.448	1.331	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cc3ccccc3nc2O)n[nH]1	767404180	XLMQTYXDGAULSC-UHFFFAOYSA-N	309.329	1.665	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)c2ccccc2Cl)cnn1C	1117723791	MTXMVEJBARUJPU-UHFFFAOYSA-N	306.753	1.386	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc(OCC(C)C)cc1	779821302	SFEGISKVJZSGIX-UHFFFAOYSA-N	307.350	1.528	50	20	DDGD	
Cc1cnc(Cl)c(NC(=O)NNC(=O)C2CCOCC2)c1	879335201	IXSAHLYQMAQBQO-UHFFFAOYSA-N	312.757	1.623	50	20	DDGD	
CCO[C@@H](C)c1ncc(C(=O)NNC(=S)NC(C)C)s1	1116139008	CNYRMVQFTNVGSE-QMMMGPOBSA-N	316.452	1.758	50	20	DDGD	
O=C(CN1CCOCC1)NNc1ccc(OC(F)(F)F)cc1	779229788	WNSYPLFDBKSLJB-UHFFFAOYSA-N	319.283	1.361	50	20	DDGD	
COC[C@@H](C)C(C)=NNC(=O)Cc1nc2ccccc2n1C	777877739	AHUBUFQYGDYREX-LLVKDONJSA-N	302.378	1.890	50	20	DDGD	
C=CC[C@H](C(=O)O[C@H](C)C(=O)NNC(=O)CC)c1ccccc1	778428288	QIUNFYKSBNPDNK-OCCSQVGLSA-N	318.373	1.835	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)COCCOC)C[C@@H]1C	872401502	XSDGPMHOQPHPDY-AAEUAGOBSA-N	314.382	1.121	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NN(C)C(=O)OC)C1(CC)CC	875349312	XUYBQAGBOKXEGZ-WDEREUQCSA-N	301.387	1.883	50	20	DDGD	
CCCNC(=O)c1cccc(CNC(=O)NN(C)C(=O)OC)c1	875077398	VEFFCUGHOSPHLF-UHFFFAOYSA-N	322.365	1.239	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(Cl)ccc1F	771912264	GKLILYPBNYCZJL-SSDOTTSWSA-N	316.716	1.582	50	20	DDGD	
Cc1nc(N2CCOCC2)sc1C(=O)NN=C1CC[C@@H]2C[C@H]12	872334465	YXCYWIUTEHLHHJ-MNOVXSKESA-N	320.418	1.804	50	20	DDGD	
CC(C)[C@](C)(O)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	770207878	IJOAUJPWUSAYKL-INIZCTEOSA-N	303.362	1.265	50	20	DDGD	
CC(CCn1cccn1)=NNC(=O)Cc1cn2ccccc2n1	776772750	QTPIPJCYVCDAFS-UHFFFAOYSA-N	310.361	1.656	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cc(-n2cccc2)ccc1F	1116617969	BOXYTAGPGZHHRK-UHFFFAOYSA-N	318.308	1.112	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C2(OC)CCCC2)cn1	874954485	VKEXRZNSKAWYSA-UHFFFAOYSA-N	324.406	1.367	50	20	DDGD	
C[C@@H](C1CC1)n1cc(NC(=O)NNc2ncc(F)cn2)cn1	779508049	UEFYMPUYBGKEMS-QMMMGPOBSA-N	305.317	1.932	50	20	DDGD	
C#CCCCC(=O)NNC(=O)COCc1ccc(OC)cc1	887141563	ABYGEMCGIWEKCC-UHFFFAOYSA-N	304.346	1.163	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2cccc(F)n2)c1	776527447	MFPNQKIAIKHIEC-UHFFFAOYSA-N	309.322	1.381	50	20	DDGD	
C#CCCCC(=O)NNC(=O)/C=C/c1ccc(O)c(OCC)c1	887147107	XXXVLHJDSHXQOP-PKNBQFBNSA-N	316.357	1.755	50	20	DDGD	
COc1ccc([C@@H](C)NC(=O)NNC(=O)C2CCOCC2)cc1	883231734	QPPBIOQNFSLHHK-LLVKDONJSA-N	321.377	1.513	50	20	DDGD	
O=S(=O)(CCCCl)N1CCOC2(CCOCC2)CC1	882078291	QTUZXCOFOPASLU-UHFFFAOYSA-N	311.831	1.217	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)CNC(=O)c2cccnc2)[C@H](C)C1	783854644	XKADQBINMTYWEK-VXGBXAGGSA-N	302.378	1.740	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cccnc2S)c1	780790009	QGHKIVIGLPWPNU-UHFFFAOYSA-N	303.343	1.914	50	20	DDGD	
CCC[C@H](C)N1C[C@@H](C(=O)NNc2cccc(OC)n2)CC1=O	780771340	LZQIOPCABVPXTP-RYUDHWBXSA-N	320.393	1.570	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cccc(C(=O)N2CCCCC2)c1	1123629990	FGEVUZJEAAWMAA-UHFFFAOYSA-N	318.377	1.229	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc2c1CCN2C(C)=O	785863073	AKYYIFFEWHCONC-UHFFFAOYSA-N	319.365	1.293	50	20	DDGD	
CN(C)c1nccc(NNC(=O)C(C)(C)c2cccnc2)n1	781427081	GWGCBGSQTJUTLX-UHFFFAOYSA-N	300.366	1.359	50	20	DDGD	
Cc1ccc(Cl)c(NC(=O)C(=O)NNc2ncc(F)cn2)c1	784950568	VACMBFXUIAVGBD-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=C1CCC2(CCCO2)CC1	788020625	PBCOILZUIPHHNS-UHFFFAOYSA-N	320.349	1.026	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H](C)[C@H]2CCOC2)c1	780835658	WPQVTZFCRQKVHF-JQWIXIFHSA-N	307.350	1.524	50	20	DDGD	
CO[C@@]1(C(=O)NNc2nc3ccccc3n2C)CCSC1	897740008	SSZCIDQTDQIFLK-AWEZNQCLSA-N	306.391	1.539	50	20	DDGD	
COCCCOc1cccc(C(=O)NNc2cnnn2C)c1C	899144124	USJJYZKQKWMDEF-UHFFFAOYSA-N	319.365	1.296	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNC(=S)NC(C)(C)C	899996307	RLVZCCOGMONEMW-UHFFFAOYSA-N	310.423	1.696	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@H]1CCCN1C1CCCC1	899996917	YGCXSIVOTLKALF-LBPRGKRZSA-N	312.483	1.687	50	20	DDGD	
C=C(CBr)COC(=O)C[C@H]1C=CS(=O)(=O)C1	795406183	NYADEPDUISIZQD-SECBINFHSA-N	309.181	1.429	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)S[C@H](C)C(=O)OC(C)(C)C	794864014	JZTDVPHAPNEICZ-DTWKUNHWSA-N	304.412	1.396	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@H](O)c2ccsc2)n1	793226628	LWYQXUCSJBUEQW-LBPRGKRZSA-N	320.374	1.129	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CSc1ccccc1O)C(F)F	792288068	SULTYJBZHIQBRS-UHFFFAOYSA-N	318.345	1.923	50	20	DDGD	
O=C1Nc2c(F)cccc2C1=NNC(=O)c1ccc(O)c(O)c1	794550593	FNXVQUNHTREGQG-UHFFFAOYSA-N	315.260	1.323	50	20	DDGD	
C=C(CBr)COC(=O)c1ccc(C(=O)OC)nc1	795424306	MFMOYHUHQMEQJG-UHFFFAOYSA-N	314.135	1.976	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=S)Nc1ccsc1	790314633	CVSRHOLIXRAQTH-UHFFFAOYSA-N	314.436	1.371	50	20	DDGD	
Cc1cccnc1NNC(=O)CNC(=O)c1ccc(F)cc1F	791214699	KPTGNODAJONMQV-UHFFFAOYSA-N	320.299	1.541	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N(CCO)CC(F)F	794047241	YFRCINZPQCLFTC-QMMMGPOBSA-N	302.159	1.882	50	20	DDGD	
Cc1c[nH]nc1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	799408553	QJCIQXDOEIMVAC-SECBINFHSA-N	306.297	1.086	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)Cc1ccccc1)c1ccc(Cl)nc1	793089437	TUBCSNHMAOLJSG-LBPRGKRZSA-N	319.748	1.100	50	20	DDGD	
O=C(NNC(=O)c1ccc2ccccc2n1)NOCC(F)F	793166887	GYTNENCKMODWKR-UHFFFAOYSA-N	310.260	1.376	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2C[C@H](C)N(C)[C@H](C)C2)c1	1329760143	SVUGVEUJWXCTDR-PHIMTYICSA-N	310.423	1.435	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CSCc1cccs1	1321404184	SJTCENJORGXGSV-UHFFFAOYSA-N	309.416	1.781	50	20	DDGD	
CO[C@H]1CCC[C@@H]1C(=O)NNC(=O)CCCc1ccccc1	1337112578	AHPALQGSZABGGE-GJZGRUSLSA-N	304.390	1.972	50	20	DDGD	
CN(CCC1CC1)C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1331101567	MVQVSBQASUSMDV-ZWNOBZJWSA-N	317.227	1.535	50	20	DDGD	
CCCONC(=O)NNC(=O)c1cccc(OC(F)F)c1	1332124018	DADKDRILCLKGEH-UHFFFAOYSA-N	303.265	1.574	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)CCOc1ccccc1	1336316916	YPZZXXYHMVSNSG-ZIAGYGMSSA-N	306.362	1.418	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)nn1C	1340043622	YCVKSLMQGRSUCW-UHFFFAOYSA-N	323.303	1.727	50	20	DDGD	
COC(=O)CC1(CNC(=O)NNC(=O)C(C)(C)C)CCCC1	1346677173	JPSCWUIBBAKMTK-UHFFFAOYSA-N	313.398	1.486	50	20	DDGD	
CC(C)C1CCC(CNC(=O)NNC(=O)C2CCNCC2)CC1	1345139592	BCWVKDXWRMZYQW-UHFFFAOYSA-N	324.469	1.779	50	20	DDGD	
COCc1nc(C(=O)NNC(=S)Nc2ccccn2)cs1	1352253627	OSACYRFGMRZWTJ-UHFFFAOYSA-N	323.403	1.316	50	20	DDGD	
COc1cc(NC(=O)NNc2cccc(C(=O)O)c2F)[nH]n1	1607178166	HOWJBSZGJRHYGB-UHFFFAOYSA-N	309.257	1.404	50	20	DDGD	
O=C(COc1ccccc1O)NNc1ccc(C(=O)O)cn1	1601344999	BFSUCVJYJDECMZ-UHFFFAOYSA-N	303.274	1.008	50	20	DDGD	
C[C@H](C(=O)O)C(=O)NNC(=O)Cc1cccc2ccccc12	1602805443	VKTNRBHBOSXUFG-JTQLQIEISA-N	300.314	1.250	50	20	DDGD	
N#C/C=C(/c1ccccc1)N1CCS(=O)(=O)C[C@@H]1CC(=O)O	1601060493	JBOGWOYRJSMAII-LNYFCXHSSA-N	320.370	1.125	50	20	DDGD	
O=C(O)Cn1ccc(NC(=O)NNc2ccnc(Cl)c2)n1	1606348834	SKWKISQGRZWLHF-UHFFFAOYSA-N	310.701	1.165	50	20	DDGD	
C[C@](O)(Cc1ccccc1)C(=O)NNc1ncccc1C(=O)O	1603263413	JXGWWAZHZBJECX-INIZCTEOSA-N	315.329	1.217	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1F)N[C@H]1CC[C@@H](C(=O)O)C1	1601554286	UKYVEEOVXVTLMP-SVRRBLITSA-N	317.267	1.983	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C(=O)NN=CC[C@H]1CCOC1	1549313213	YNPGOLPKTGBYNH-MELADBBJSA-N	320.393	1.416	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)C1CCOCC1	1549316629	HMJSZDTXNQIWBW-DZGCQCFKSA-N	309.410	1.158	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=C[C@H]1CCCO[C@H]1c1nccn1C	1552763517	VSOUTBCMEOSUOL-XJFOESAGSA-N	320.393	1.415	50	20	DDGD	
C[C@@H]1NCCn2c(C(=O)NNC(=O)Cc3ccsc3)ccc21	1576894934	SGENGYFVSASJJM-JTQLQIEISA-N	318.402	1.218	50	20	DDGD	
CC(C)(C(=O)NNc1ccc2ccccc2n1)n1cc(N)cn1	1575092048	ADYIIJUEZTWDNY-UHFFFAOYSA-N	310.361	1.892	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@H]1CCCS1)[C@H](N)c1ccccc1	1575092597	PULDIAINKOXLKB-CHWSQXEVSA-N	321.446	1.756	50	20	DDGD	
C=C(CCC(=O)O)C(=O)NNC(=O)COc1cc(C)ccc1C	1588630019	ALIJMDGONBHBFY-UHFFFAOYSA-N	320.345	1.251	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)CCN(C)C)C2	1845164210	RXUXTPLDAKTEFG-GFCCVEGCSA-N	315.845	1.159	50	20	DDGD	
O=C(O)CCCC(=O)NNC(=O)Cc1c[nH]c2ccccc12	1595027741	IDIKUERCEJAPDU-UHFFFAOYSA-N	303.318	1.113	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)C1(C(=O)O)CC=CC1	1593867226	PLXFUALWWPDCHR-UHFFFAOYSA-N	322.292	1.476	50	20	DDGD	
CO[C@@H]1CCN(C[C@H](CBr)C2CC2)[C@H](C(=O)O)C1	1599125730	RRDLJOSZKHSUER-TUAOUCFPSA-N	320.227	1.972	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1cc(C(=O)O)co1	1595115280	ASZXTDAGYBAUHF-UHFFFAOYSA-N	309.322	1.123	50	20	DDGD	
C[C@@H]1CNC[C@H]1CCNC(=O)NNc1ccc(C(=O)O)cc1F	1599872911	NFNGWNJJQGHJIH-MWLCHTKSSA-N	324.356	1.396	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@]12CCCC[C@@H]1OCC2	1595261492	CNMXOGCCJSCHET-NHYWBVRUSA-N	305.334	1.572	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)O)O2)cc1	1597125699	BAMIKHHMRBIOBX-OASPWFOLSA-N	308.334	1.407	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2csc(C(=O)O)c2)n1	1776026218	HMCMKAQGAPDJBN-UHFFFAOYSA-N	306.347	1.410	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NN=Cc1ccc(C(=O)O)nc1	1776024260	JFWCZYMEOUTNKJ-UHFFFAOYSA-N	301.277	1.612	50	20	DDGD	
Cc1ccc(C=NNC(=O)c2cccc(F)n2)c(C(=O)O)c1	1776093876	PITRLYOJTGTHJW-UHFFFAOYSA-N	301.277	1.991	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CC2(C(=O)O)CCCC2)cc1	13252948	GFNVBJQEDWSVQV-UHFFFAOYSA-N	320.345	1.491	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cnn(C(C)(C)C)c2)n1	161285671	DAPYPPTXRVDCHC-UHFFFAOYSA-N	305.342	1.585	50	20	DDGD	
CC1(C)C[C@@H](NC(=O)NNC(=O)c2ccc(C#N)cc2)CCO1	162854645	WDBWVDHTPBBCKV-ZDUSSCGKSA-N	316.361	1.460	50	20	DDGD	
C[C@@H](Cn1ccnc1)NC(=O)NNC(=O)CCc1ccccc1	158405619	OYOLEGMLVSEHMD-ZDUSSCGKSA-N	315.377	1.235	50	20	DDGD	
COC(=O)[C@@H](NNC(C)=O)c1cccc(Br)c1	158749144	BJBGRXKOXNGPHX-JTQLQIEISA-N	301.140	1.304	50	20	DDGD	
NC(=O)CSCC(=O)NNc1ccc(C(F)(F)F)cc1	153616610	FIQRIRYFHCKGAX-UHFFFAOYSA-N	307.297	1.367	50	20	DDGD	
CCCCCC[C@@H](C)NC(=O)NNC(=O)C(=O)N1CCCC1	155020126	PVYXPOFKPHWWTM-GFCCVEGCSA-N	312.414	1.298	50	20	DDGD	
C[C@@H](Cc1ccccc1F)C(=O)NNC(=O)c1cccn1C	155055744	FLFYHCWTPGFDOO-NSHDSACASA-N	303.337	1.804	50	20	DDGD	
Cc1cccc(NC(=O)NCC(=O)NNc2ncc(F)cn2)c1	157650075	VYCARJZQHYRRFZ-UHFFFAOYSA-N	318.312	1.189	50	20	DDGD	
O=C(CN1CCCCC1=O)NNc1cccc(C(F)(F)F)n1	155934180	NRVZDIPQPFJRHA-UHFFFAOYSA-N	316.283	1.556	50	20	DDGD	
Cn1c(NNC(=O)Cc2ccc(O)cc2)nc2ccccc2c1=O	154237721	IPZZCFUZXOLWIM-UHFFFAOYSA-N	324.340	1.325	50	20	DDGD	
CNC(=O)Cc1ccc(NS(=O)(=O)CCCCCl)cc1	228330343	GBLWOUYPEDWVIY-UHFFFAOYSA-N	318.826	1.736	50	20	DDGD	
O=C(O)CCCCCCCNS(=O)(=O)CBr	309728040	DQAWXCYLNVTEGS-UHFFFAOYSA-N	316.217	1.683	50	20	DDGD	
CCOC(=O)CN(CC)S(=O)(=O)c1ccc(CCl)cc1	380099905	MYJWTSBNIZZJQU-UHFFFAOYSA-N	319.810	1.999	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)CC(C)(C)C	103199424	OZJRSQLOMOJHKN-UHFFFAOYSA-N	309.322	1.801	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1cccc([N+](=O)[O-])c1)N1CCCC1=O	178863066	BJUPXVBRALMRLS-AWEZNQCLSA-N	320.349	1.685	50	20	DDGD	
CC(=O)CCc1ccc(OCCC(=O)NNC(=O)C2CC2)cc1	58781349	VAHGUSAVZQDIOP-UHFFFAOYSA-N	318.373	1.535	50	20	DDGD	
Cc1ccnn1-c1ccc(C(=O)NNC(=O)c2cccnc2)cc1	27766600	FOONMWPFISLLGP-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cn1cc(C)c2ccccc21	50612572	KGEHDCCNDFTIBW-UHFFFAOYSA-N	318.377	1.317	50	20	DDGD	
CC(C)=CC(=O)NCc1ccc(C(=O)NNC(=O)N(C)C)cc1	172907833	JAEONPUNWFQIMS-UHFFFAOYSA-N	318.377	1.185	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnn(-c2ccc(C)cc2)c1CC	65190034	HKFPCTALUFTTRF-UHFFFAOYSA-N	315.377	1.707	50	20	DDGD	
O=C(NNS(=O)(=O)C1CC1)c1c(Cl)cccc1Cl	171179305	SXJOZALAPZVTJL-UHFFFAOYSA-N	309.174	1.720	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cccs1)Cc1ccccc1O	111235492	CMGUEXKBOBHKRF-UHFFFAOYSA-N	319.386	1.347	50	20	DDGD	
CCCCNC(=O)NNC(=O)COCc1ccc(OC)cc1	68266318	RCDNCQLKBIYLHF-UHFFFAOYSA-N	309.366	1.342	50	20	DDGD	
Cc1[nH]c2ccccc2c1CC(=O)NNC(=O)Cc1ccncc1	175787053	FNNXMQFYTIWJIH-UHFFFAOYSA-N	322.368	1.804	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F	184656219	DDABUGAYRCYGCU-QMMMGPOBSA-N	313.320	1.720	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F	116181044	OTVQRPZVMGHDHT-NXEZZACHSA-N	309.316	1.809	50	20	DDGD	
N#Cc1ccccc1/C=C/C(=O)NNC(=O)Cc1cccnc1	171511181	DINHZMRLWWQGPM-BQYQJAHWSA-N	306.325	1.357	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H](C)c2ccccn2)n1	175175043	RZKITBGWFRCBBX-JTQLQIEISA-N	302.338	1.576	50	20	DDGD	
Cc1nn(C)cc1C(=O)NNC(=O)Cc1c[nH]c2ccccc12	113141278	VEEHRRULBTWQTK-UHFFFAOYSA-N	311.345	1.214	50	20	DDGD	
O=C(NNc1cnccn1)[C@@H]1CCCN1C(=O)c1cccs1	114881983	HBEHMIHDYUUUPW-JTQLQIEISA-N	317.374	1.286	50	20	DDGD	
CC(C)(C)c1ccccc1C(=O)NNC(=O)C(=O)N1CCCC1	125413989	BBIBNWXRRSTZEG-UHFFFAOYSA-N	317.389	1.368	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnn(-c2ccccc2)n1	64426668	QTIGJZDFUJIYTJ-UHFFFAOYSA-N	302.338	1.011	50	20	DDGD	
O=C(NCCOc1ncccc1Cl)NNc1ccccn1	125806083	MSSTUKJGLPAJSZ-UHFFFAOYSA-N	307.741	1.835	50	20	DDGD	
CC(C)N(CCS(C)(=O)=O)S(=O)(=O)CCCCCl	154823224	ODVPOOPYICQVBL-UHFFFAOYSA-N	319.876	1.090	50	20	DDGD	
O=C(NCCc1cccc([N+](=O)[O-])c1)NNc1ccccn1	126034938	PYOICMDIGIWWQE-UHFFFAOYSA-N	301.306	1.859	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@H]2CC2(C)C)o1	125111361	PNJSNSDCHJQBMK-GFCCVEGCSA-N	307.394	1.929	50	20	DDGD	
O=C(CN1CCCS1(=O)=O)NNc1cccc2c1CCCC2	120216444	MIQCWTYBEFHIFK-UHFFFAOYSA-N	323.418	1.044	50	20	DDGD	
CCC[C@@H](C)CC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1	125763550	RDLGFDOGTGNROM-LLVKDONJSA-N	316.365	1.250	50	20	DDGD	
CCc1ncc(NC(=O)C(=O)NNc2cccc(F)c2)cn1	120811413	BMRBELMZLGRNJG-UHFFFAOYSA-N	303.297	1.260	50	20	DDGD	
C[C@@H](CBr)CN1CCN(C[C@H]2CCOC2)CC1	186364903	NSPXLWAKSHVNLN-QWHCGFSZSA-N	305.260	1.672	50	20	DDGD	
COc1ccc([N+](=O)[O-])c(C(=O)NNc2cc(C)nc(C)n2)c1	128784386	HZKBDDLJPDUALU-UHFFFAOYSA-N	317.305	1.767	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1ccccc1Cn1cccn1	73116039	LQHCHGDCFVAEHL-FOWTUZBSSA-N	310.357	1.992	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1cccc(-n2ccnn2)c1	183264399	CFVFSHMUODIBSC-UHFFFAOYSA-N	311.305	1.062	50	20	DDGD	
O=C(/C=C/c1ccc[nH]1)NNC(=O)c1cccc([N+](=O)[O-])c1	189499522	VDAVLCUGTRFYFU-VOTSOKGWSA-N	300.274	1.397	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNc1ncccn1)c1cccc(F)c1	49798091	AZHDGFPHESHWQB-CYBMUJFWSA-N	318.356	1.545	50	20	DDGD	
Cc1noc(C)c1CCC(=O)NNC(=O)CNc1ccccc1	73302670	CQMBQNZHJNIVDH-UHFFFAOYSA-N	316.361	1.484	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCC2(OC)CCC2)cc1	181521689	SKXCSGJHIRPXLA-UHFFFAOYSA-N	305.378	1.762	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1nnc(-c2ccccc2)o1	139047419	GMVVXHSBMWIABT-UHFFFAOYSA-N	319.390	1.644	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cc(-c2cccs2)n[nH]1	130336161	XQZUWQKPWHPFMB-JTQLQIEISA-N	306.347	1.078	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@H]2CCC[C@H](C)C2)n1	47035886	XJIRQYWRIYRMHU-GWCFXTLKSA-N	307.398	1.409	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)c2ccncc2)c1C	131342701	LVXQTLOVDGQIIN-UHFFFAOYSA-N	301.350	1.461	50	20	DDGD	
O=C(CCCOc1ccc(F)cc1)NNC(=O)c1cccnc1	45520830	UQCRXGLUQUPYJH-UHFFFAOYSA-N	317.320	1.841	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCC(C)(C)C(N)=O)cc1	131760020	WIVVRGNGMJVIJW-LCYFTJDESA-N	315.373	1.620	50	20	DDGD	
CC(=O)c1cccc(O[C@H](C)C(=O)NNC(=O)C(C)(C)C)c1	130486453	JWEBCCHPVFFJNN-LLVKDONJSA-N	306.362	1.850	50	20	DDGD	
CC(=O)N1CCC[C@H]1C(=O)NNc1ncnc2ccsc12	132771927	AITQXXMTBMDUQU-JTQLQIEISA-N	305.363	1.145	50	20	DDGD	
Cc1cc(OC(=O)Cc2nc3ncccn3n2)ccc1[N+](=O)[O-]	192507291	OEFIYQUQIDVZOH-UHFFFAOYSA-N	313.273	1.489	50	20	DDGD	
CSCCNC(=S)NNC(=O)Cc1cc(C)ccc1C	94121106	FXCNNRWHRSIVMO-UHFFFAOYSA-N	311.476	1.704	50	20	DDGD	
O=C(/C=C\c1ccco1)NNC(=O)COCc1ccccc1	254939895	UHWXJBBZPNJTBM-HJWRWDBZSA-N	300.314	1.657	50	20	DDGD	
CCC1(C(=O)NNC(=O)CNC(=O)c2cccs2)CCCC1	268223320	WXJKZOTXZIIWFR-UHFFFAOYSA-N	323.418	1.596	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(Cl)nn1	265477243	KJMKZGLMZXKGPK-SSDOTTSWSA-N	315.761	1.486	50	20	DDGD	
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1cnccn1	265202718	UGSYDQVLTFVKHC-NSHDSACASA-N	309.370	1.469	50	20	DDGD	
O=C(C[C@@H]1COC(=O)C1)NNc1cccc(Br)c1	269611608	MHBRLLBMEWKEIW-QMMMGPOBSA-N	313.151	1.845	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc2c(c1)NC(=O)CS2	264034347	NRYSARSPDHAYRO-UHFFFAOYSA-N	321.402	1.928	50	20	DDGD	
CSc1nc(C2CC2)nc(C)c1C(=O)NNC(=O)C1CCC1	266819223	HUQSWBNURQCFSS-UHFFFAOYSA-N	320.418	1.945	50	20	DDGD	
CCCN(CC)Cc1ccc(C(=O)NNC(=O)CN(C)C)cc1	265011270	CPZLVBUHHVDLQW-UHFFFAOYSA-N	320.437	1.241	50	20	DDGD	
C[C@H]1OCCN(C(=O)NNC(=O)C(C)(C)c2ccccc2)[C@@H]1C	268895953	LJSAAAMBNCNNRM-CHWSQXEVSA-N	319.405	1.814	50	20	DDGD	
C[C@@H]1C[C@@H](CNC(=O)NNC(=O)Cc2ccccc2F)CCO1	271323252	BHXCGZTZYULPBK-NEPJUHHUSA-N	323.368	1.514	50	20	DDGD	
COC(=O)NNC(=O)[C@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1	274279160	JFMVHPUHLFIGAK-LBPRGKRZSA-N	319.361	1.352	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNc2cccc(S(C)(=O)=O)c2)O1	272061473	WTPUHICHZFDNOR-WCQYABFASA-N	312.391	1.491	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Nc1c(C)noc1C	273432179	VXNCOSVUVGSEGH-UHFFFAOYSA-N	318.333	1.695	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H](NC(=O)NNc2cncc(Cl)n2)C1	279695874	IDDAPJNURXNZIK-JGVFFNPUSA-N	313.745	1.098	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)CO[C@@H](C)CC)nc1C	272142848	DUAWDXKPMNNASN-VIFPVBQESA-N	310.354	1.220	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNc1ccc(OC(F)(F)F)cc1	270898557	QZNZZNLRVDIKRQ-ZETCQYMHSA-N	321.255	1.773	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1cccc(C(F)F)c1	274247699	YYMVOQBXZHNJHZ-UHFFFAOYSA-N	313.304	1.756	50	20	DDGD	
COc1ccc(NNC(=O)c2sccc2CN(C)C)nc1	275474450	FGOJWROIYXTLPP-UHFFFAOYSA-N	306.391	1.970	50	20	DDGD	
C=CCCCCNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	274550605	IMLAKJZDJJNEKK-AWEZNQCLSA-N	319.361	1.513	50	20	DDGD	
Cc1cc(F)ccc1-n1cc(C(=O)NNC(=O)C2CCC2)nn1	270980611	GBUGWGFTLDJISQ-UHFFFAOYSA-N	317.324	1.276	50	20	DDGD	
CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CC=C(C#N)CC2)C1	270921328	JDPREJNCGJWOKP-HNNXBMFYSA-N	318.421	1.746	50	20	DDGD	
Cc1cc(C)c(NC(=O)C(=O)NNC(=O)C2CCC2)c(C)c1	274058272	IBQMHGVVEIKLPV-UHFFFAOYSA-N	303.362	1.498	50	20	DDGD	
O=C1COc2ncc(C(=O)NNc3ccccc3Cl)cc2N1	376148153	HUVPEGNHQNAEQX-UHFFFAOYSA-N	318.720	1.823	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2ccc(Cl)cc2O)CCCOC1	272657117	HBNYVUYMXCQYFV-CQSZACIVSA-N	312.753	1.623	50	20	DDGD	
O=S(=O)(CBr)N[C@H](CCO)c1ccccc1	272872426	ZZDGLIMYBZSFRC-SNVBAGLBSA-N	308.197	1.382	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cc(C(C)C)oc2C)n1	284943383	JXFTVZIISUCFGT-UHFFFAOYSA-N	318.377	1.986	50	20	DDGD	
O=C(CCCC1CCOCC1)NNC(=O)Cc1ccncc1	282612700	NAKLNNABRBLWRD-UHFFFAOYSA-N	305.378	1.368	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@]2(C)CCN(C(C)=O)C2)c1	371583256	YIRAGKMSSBONRH-MRXNPFEDSA-N	319.361	1.175	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)NCc1ccc(Cl)cc1)C1CC1	281238397	OYCXFXMAQNANOA-GFCCVEGCSA-N	311.769	1.595	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@H]1[C@H]1CCCO1)c1ccccc1	284193125	YIGDBINNEHZABA-UONOGXRCSA-N	303.362	1.684	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N[C@H]1C[C@H](c2ccccc2)C1	280860753	ASUJSGOKJSWGEW-WKILWMFISA-N	324.384	1.901	50	20	DDGD	
COC(=O)COCC(=O)NNc1ccc(C(F)(F)F)cc1	288326129	VCQFAVNSLVMKIM-UHFFFAOYSA-N	306.240	1.338	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@](C)(CC)OC)nc1C	280543894	SROAYJUTKYCUKU-CQSZACIVSA-N	310.354	1.220	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNC(=O)CCc1ccccc1O	289662754	YSDGVVZSSFXGEB-NSHDSACASA-N	322.361	1.062	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccnc2F)c(OC)c1	806805476	ZQNMNTHDDKOAPG-UHFFFAOYSA-N	319.292	1.313	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)nn1	803439259	YBSLJGAEAAYUGM-UHFFFAOYSA-N	311.301	1.084	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@H](F)C(F)(F)F)c2ccccc21	809983953	YDAQMUUQCQNDRD-JTQLQIEISA-N	317.242	1.840	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1C(=O)NNC(=O)[C@H]1CCCCO1	295698879	ZXVFOKHHFZWHAJ-LLVKDONJSA-N	308.382	1.048	50	20	DDGD	
CO[C@H]1CCN(CC(=O)NNC(=O)c2ccccc2)CC1(C)C	295957433	JTXPANDHMHSONE-AWEZNQCLSA-N	319.405	1.195	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1ccc(Cl)c(F)c1	292619616	LCSZWMFCYQEDKL-JTQLQIEISA-N	301.705	1.811	50	20	DDGD	
C[C@H]1CCCN([C@H](C)CNC(=O)NNc2ncncc2F)C1	292810478	WHXBQERDVWTZBA-WDEREUQCSA-N	310.377	1.362	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C[C@@H](C)C2CC2)cc1	801112178	YKBLJOCFXZUENQ-LLVKDONJSA-N	303.362	1.517	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cc(=O)c2ccc(F)cc2o1	802912078	BWJYXMWWCNYDDL-UHFFFAOYSA-N	318.239	1.618	50	20	DDGD	
COc1cccc([C@@H](O)C(=O)NNC(=O)Nc2ccccc2)c1	801986498	NRRVFBWJPKICIP-CQSZACIVSA-N	315.329	1.582	50	20	DDGD	
CN(C)C(=O)c1ccc(C(=O)NNc2cccc(F)n2)cc1	804772795	NHQWDMIHBGMQGL-UHFFFAOYSA-N	302.309	1.679	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1OC	292663646	JJQIFWVQWRMTMW-CABZTGNLSA-N	308.334	1.032	50	20	DDGD	
CC(C)(CNS(=O)(=O)CBr)c1ccccn1	295295109	NRVNEWRLICFIBS-UHFFFAOYSA-N	307.213	1.631	50	20	DDGD	
N#CCCCCCC(=O)OCC(=O)NNC(=O)c1ccccc1	805697683	DIKUODZETWAYBS-UHFFFAOYSA-N	317.345	1.465	50	20	DDGD	
COC(=O)c1cccc(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	292701627	QTDXFBLJJUXUCW-CABZTGNLSA-N	321.333	1.193	50	20	DDGD	
C[C@H]1COCC[C@H]1CNC(=O)NNC(=O)c1ccccc1O	807509065	QGPNLZMNYLNNDG-QWRGUYRKSA-N	307.350	1.009	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cc(Cl)c(F)cc2O)n[nH]1	814788551	ZXGXDOCIFLVFMW-UHFFFAOYSA-N	310.716	1.909	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)[C@H](C)CN2CCCCCC2)C1	819803298	LYRUSRFMFQCTIX-KWCCSABGSA-N	323.437	1.944	50	20	DDGD	
O=C1CC(C(=O)NNc2ncncc2Cl)(c2ccccc2)C1	811326160	LJRKHGJIVXEUCF-UHFFFAOYSA-N	316.748	1.874	50	20	DDGD	
CC[C@@H](C=NNC(=O)[C@H](C)NS(C)(=O)=O)c1ccccc1	814835613	WTTFKHSQXNSCJB-RYUDHWBXSA-N	311.407	1.220	50	20	DDGD	
O=C(CCCC1CC1)NNC(=O)CNC(=O)c1cccs1	812492671	JYZOOFTWMRMJKI-UHFFFAOYSA-N	309.391	1.206	50	20	DDGD	
NS(=O)(=O)c1ccc(NC(=O)NN=C2CC3(CCC3)C2)cc1	814970096	TXGIGOTUTLRWAD-UHFFFAOYSA-N	322.390	1.776	50	20	DDGD	
CCCCNC(=O)NNC(=O)C1(c2ccccc2)CC(=O)C1	813423199	ADCJKZJESRYNCA-UHFFFAOYSA-N	303.362	1.418	50	20	DDGD	
COc1cc(C)c(C(=O)NNc2ncncc2F)cc1OC	817080425	NVQDUNIZVMSEDH-UHFFFAOYSA-N	306.297	1.698	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H](C)[C@@H](C)COC	812446008	JIYLNOJABROHAG-QWHCGFSZSA-N	322.405	1.694	50	20	DDGD	
CN(NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1	819649316	AVQPGJRJZZQHQE-UHFFFAOYSA-N	301.249	1.935	50	20	DDGD	
COc1ccc(C(C)=O)cc1CC(=O)NNc1ncncc1F	817080567	UEQTWZLUUOXEQW-UHFFFAOYSA-N	318.308	1.513	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)c2ccc3ccccc3n2)c(C)o1	814185096	VMIVHGSMLCHZTI-UHFFFAOYSA-N	310.313	1.914	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H]2CCC(=O)N2C)cc1C	812720726	OLORPMNSFZZHMK-ZDUSSCGKSA-N	319.361	1.236	50	20	DDGD	
CC(=NNC(=O)COc1ccc2ccccc2c1)c1cnnn1C	814790511	OTLCJEGDEZVCCG-UHFFFAOYSA-N	323.356	1.888	50	20	DDGD	
Cc1noc([C@@H](C)NC(=O)NNC(=O)c2cccc(Cl)c2)n1	726280309	SZXNSOIHWYDYRK-SSDOTTSWSA-N	323.740	1.737	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](c2ccncc2)C1	829817635	PEAZEMQLVUCUAU-TZMCWYRMSA-N	304.394	1.207	50	20	DDGD	
O=C(/C=C/[C@H]1CCOC1)NNC(=O)Nc1cc(F)cc(F)c1	493617012	HIWXRRSJNHPMBL-VWCDRPFISA-N	311.288	1.710	50	20	DDGD	
C[C@@]1(CC(=O)NNC(=O)c2ccncc2)CC1(Cl)Cl	822114706	HFSCLYOTDOXQDB-LLVKDONJSA-N	302.161	1.817	50	20	DDGD	
CSSCCNC(=O)CCNC(=O)OCC(F)(F)F	496323623	IRLTVHFNNJBPHQ-UHFFFAOYSA-N	320.358	1.792	50	20	DDGD	
CN(NC(=O)C1(S(C)(=O)=O)CCCC1)C(=O)OC(C)(C)C	496219999	UXNDDCWGCQNPSZ-UHFFFAOYSA-N	320.411	1.242	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccc(-n2cnnc2)cc1	725881355	JBLLAPIJMPGTFK-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)C1[C@H]2CCC[C@H]12	494969874	HNUREYRNBKYNNW-UWVGGRQHSA-N	311.382	1.095	50	20	DDGD	
Cc1nc(C)c(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)s1	826079963	QZBHXWSRRLACDQ-PSASIEDQSA-N	312.395	1.015	50	20	DDGD	
C=CCCN(CC(=O)NNC(=O)C(C)C)OCc1ccccc1	829105716	DABXCPNVUULWBH-UHFFFAOYSA-N	319.405	1.800	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@@H]3CC[C@H]3C(N)=O)nc12	828357690	AAFSZCHDPCVECX-RKDXNWHRSA-N	304.375	1.559	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2COC(=O)C2)c1C	820078558	RAHAOZUFVAULFP-GSHXUFRSSA-N	315.373	1.854	50	20	DDGD	
COC(=O)NN=C1CCOC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C	495447144	CTXSUFLRGNKHCH-VHSXEESVSA-N	315.370	1.648	50	20	DDGD	
CC(C)[C@@H](C=NNC(=O)C(C)(C)O)CNC(=O)OC(C)(C)C	492151482	WFJDMBDTMZCDCP-LLVKDONJSA-N	315.414	1.656	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNC(=S)NCC2CCC2)c1	727866392	ZSSSDLOTOYIIPE-UHFFFAOYSA-N	321.402	1.382	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCc2cccn2C)cc(C#N)n1C	490664599	SEZAZERFFRZCCS-AUWJEWJLSA-N	307.357	1.767	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)cc1OC	822188700	JFQWDAJMFSBLBL-MDZLAQPJSA-N	318.373	1.901	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CCCCNC(N)=O)c1	725906902	HDRWYGTYRFFYER-UHFFFAOYSA-N	323.422	1.151	50	20	DDGD	
COC(=O)NNC(=O)Nc1cccc([C@H](C)N2CCOCC2)c1	491224300	CPKYLVQHYVIUGW-NSHDSACASA-N	322.365	1.472	50	20	DDGD	
CC(C)(C)OC(=O)C1(C(=O)NNC(=O)NC2CC2)CC=CC1	823762494	DPKUPVVLZLFQMN-UHFFFAOYSA-N	309.366	1.157	50	20	DDGD	
CCn1c(O)nc2cc(C(=O)NNC(=O)C3CCC3)ccc21	827216487	XPCXRNYCIATFLH-UHFFFAOYSA-N	302.334	1.323	50	20	DDGD	
Cc1ccc(C[C@@H]2CCCN2CC(=O)NNC(=O)C(C)C)cc1	827821250	LFMFUWZNXUGUTI-INIZCTEOSA-N	317.433	1.805	50	20	DDGD	
CNc1ncc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)s1	826098779	OESUPMGEUXHPCZ-UHFFFAOYSA-N	316.350	1.122	50	20	DDGD	
C[C@@H](CC(=O)O)C(=O)NNC(=O)c1cccc2ccccc12	827303744	IVLZPKPZAHEVDZ-JTQLQIEISA-N	300.314	1.712	50	20	DDGD	
CN(C)[C@@H](C(=O)N1CC[C@H](B(O)O)C1)c1cccc(Cl)c1	585068494	BPQZOFBZDTXQJR-WCQYABFASA-N	310.590	1.018	50	20	DDGD	
C/C=C/C=C/C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	492824701	QQACEHBUYIADBR-VNKDHWASSA-N	323.374	1.375	50	20	DDGD	
C[C@]1(C(=O)NCCC2(O)CCOCC2)C[C@@H]1Br	908134043	LVQPMTGEPHGSQQ-ONGXEEELSA-N	306.200	1.208	50	20	DDGD	
CC(C)C(=O)/C(C#N)=C\c1cnc2ccc(-c3nn[nH]n3)cn12	735685002	XSAOEKKMPNDBNE-WZUFQYTHSA-N	307.317	1.646	50	20	DDGD	
OB(O)c1ccccc1CN[C@H]1CC[C@H](c2ccc(F)cc2)C1	585039291	RNROFGLMQGIYCT-YOEHRIQHSA-N	313.181	1.931	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)C1CCC(C(F)(F)F)CC1	496950768	RSOZLDIOWIFALY-UHFFFAOYSA-N	318.317	1.640	50	20	DDGD	
CCOC(=O)NNC(=O)C1(c2ccc(OC)c(OC)c2)CCC1	495065205	HDDUCOTUCDHQOM-UHFFFAOYSA-N	322.361	1.903	50	20	DDGD	
N=[S@](=O)(c1ccc(N2CC[C@@H](B(O)O)C2)cc1)C(F)(F)F	900965000	JJWFKICAYZCRGD-ZEDNOMKYSA-N	322.117	1.665	50	20	DDGD	
CCN(CC(=O)NNC(=O)C(C)(C)C)C(=O)OC(C)(C)C	734425187	SKSKVUPBQYQHSL-UHFFFAOYSA-N	301.387	1.437	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(C)nn1[C@H]1C[C@H]2CC[C@H]1C2	494692709	FQUPGBVPOVJGGZ-DCAQKATOSA-N	307.354	1.945	50	20	DDGD	
CCCCSCCc1nc(-c2ccc(B(O)O)cc2)no1	585051058	SLNBGPMGVUUSSK-UHFFFAOYSA-N	306.196	1.492	50	20	DDGD	
C[C@H](C(=O)NNC(=O)NCCc1cccs1)c1cnccn1	906418334	UEDHQIKBALEYHV-JTQLQIEISA-N	319.390	1.215	50	20	DDGD	
CO[C@](C)(C1CC1)[C@H](C)NC(=O)/C(C#N)=C/c1cnn(C)c1	491161701	PHQWJWUWWAXAPD-MPHIKFLASA-N	302.378	1.647	50	20	DDGD	
CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)NNC(=O)N(C)C	491098013	IDMOHNHXPFJQJP-AWEZNQCLSA-N	316.402	1.372	50	20	DDGD	
CN(C)[C@]1(CNC(=O)[C@]2(C)C[C@H]2Br)CCSC1	906901997	PAFZQJDKERAUFC-JLLWLGSASA-N	321.284	1.713	50	20	DDGD	
CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)NNC(=O)C1CCC1	735687659	QRMRRFJSCILOFU-CHWSQXEVSA-N	311.426	1.958	50	20	DDGD	
COC(=O)COc1ccccc1C=NNC(=O)[C@H]1CCCCO1	901249611	DLNPDMISUQZSES-CQSZACIVSA-N	320.345	1.258	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(N(C)C)cc1	730577429	TUTYMGUVDUBGMG-ZDUSSCGKSA-N	323.418	1.028	50	20	DDGD	
CCCC[C@@](C)(F)C(=O)NNC(=O)CNC(=O)OC(C)(C)C	831794800	SJNHKGWUXVYJQV-CQSZACIVSA-N	319.377	1.577	50	20	DDGD	
Cc1ccc(C)c(C2=NO[C@H](C(=O)NNc3ncccn3)C2)c1	900111758	HHJFEEWLAPFRLG-AWEZNQCLSA-N	311.345	1.730	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1ccccc1F)c1cnn(C)c1	839461275	PZWRQPPOZUCIRJ-SNVBAGLBSA-N	304.325	1.514	50	20	DDGD	
C[C@@H](Oc1cccc(C=NNC(=O)[C@H]2CCCCO2)c1)C(=O)O	834988525	JPYDRYQVYKYIJJ-BXUZGUMPSA-N	320.345	1.558	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)c1c[nH]c2ccccc12	837316105	HFUVFDUHGYBULM-MVWJERBFSA-N	311.341	1.544	50	20	DDGD	
O=C1CCC(=NNC(=O)c2cccc(Br)c2)CCN1	834962164	LFOLEZRIGBXVLZ-UHFFFAOYSA-N	324.178	1.835	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)C1(c2ccccc2F)CC1	736672737	MGUFAHFAZBOOHI-UHFFFAOYSA-N	304.243	1.957	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)NNc1ccc(C(F)(F)F)cn1	907477710	RFLNBDBXRPNYRR-SECBINFHSA-N	316.283	1.554	50	20	DDGD	
C[C@H](C=NNC(=O)C(F)F)c1ccc(S(C)(=O)=O)cc1	834974243	WQLORJFXBOJTLE-MRVPVSSYSA-N	304.318	1.561	50	20	DDGD	
CCOC(=O)c1ccc2c(c1)N(S(=O)(=O)CCl)CCO2	831280552	LFOPLBPEQJRYQS-UHFFFAOYSA-N	319.766	1.588	50	20	DDGD	
COc1cc(F)cc(C[C@@H](C)NC(=O)NNc2cccnn2)c1	836668006	CZDMJMGFKKLPMT-SNVBAGLBSA-N	319.340	1.882	50	20	DDGD	
CCCCN(CC(F)(F)F)C(=O)c1ccc(B(O)O)cc1	584934148	KVCJVOLEHJHKFF-UHFFFAOYSA-N	303.089	1.171	50	20	DDGD	
CC(CCCCCN1C(=O)c2ccccc2C1=O)=NNC(N)=O	834915121	XBDRIQHBOUNPAN-UHFFFAOYSA-N	316.361	1.887	50	20	DDGD	
O=CN1CCC[C@H]1C(=O)NNc1cccc(C(F)(F)F)c1	830761490	BJFJGHAOPVDFHW-NSHDSACASA-N	301.268	1.769	50	20	DDGD	
C[C@H](NC(=O)c1cc(B(O)O)ccc1F)[C@@H]1C[C@H]2CC[C@H]1C2	584927481	SEQXJANLOGWKLN-ZPFDUUQYSA-N	305.158	1.060	50	20	DDGD	
O=C(CCCOc1ccc(F)cc1F)N1CC[C@H](B(O)O)C1	585077651	SQHJSTZTGGWRGI-JTQLQIEISA-N	313.109	1.199	50	20	DDGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CC[C@](F)(C(=O)O)C1	833062508	MPIJKNYMTYXMMP-WTKLMOFPSA-N	305.265	1.958	50	20	DDGD	
CCn1ccnc1C(C)=NNC(=O)CNC(=O)c1cccs1	834952441	RWMNUPORBXAJQC-UHFFFAOYSA-N	319.390	1.235	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)CN(C)C)cccc1-c1ncco1	836636199	FDTCMOPJWYEDLE-UHFFFAOYSA-N	317.349	1.364	50	20	DDGD	
CC(=NNC(=O)c1ccccc1C)c1c(C)nc(O)nc1O	839402018	RVYKQFLUGJHOQR-UHFFFAOYSA-N	300.318	1.659	50	20	DDGD	
Cc1ccccc1C(=O)NN[C@@H](C(N)=O)c1ccc(C#N)cc1	734507365	VTQKWTHLHTZPKD-OAHLLOKOSA-N	308.341	1.328	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@@H]1CCCCO1)c1cccc(C#N)c1	836333013	BVVUFOVASLKWOA-FZMZJTMJSA-N	316.361	1.519	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@]2(C)CCCCO2)c1	837310412	BOLHWYKUXRLUMM-MRXNPFEDSA-N	306.362	1.480	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(Cl)nc(N2CCCC2)c1	910169042	WUGXKDPCXYCCII-JTQLQIEISA-N	312.801	1.293	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)Cn1cnc2ccccc21	834925057	INUPFGBYRHMESC-UHFFFAOYSA-N	311.349	1.106	50	20	DDGD	
CONC(=O)C1CCN(C(=O)[C@@]2(C)C[C@@H]2Br)CC1	913791986	HFSQQSFWMDJVGQ-CABZTGNLSA-N	319.199	1.076	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2cccc(C(=O)O)c2)CCN1C	833600893	OFKIHYHESNNIHX-CMPLNLGQSA-N	306.366	1.494	50	20	DDGD	
CCCN1CCC[C@@H](C(=O)NNC(=S)Nc2ccccn2)C1	913826609	XOPGAUXBQNHRFG-GFCCVEGCSA-N	321.450	1.521	50	20	DDGD	
CC(=O)NNC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1	740075052	BTCQJZCTYUZZEZ-UHFFFAOYSA-N	313.239	1.067	50	20	DDGD	
C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@H]1C(=O)NN	843450490	DHSDUKJMDSECDO-BNOWGMLFSA-N	301.390	1.761	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	843276345	AYINBESOMLLKOL-BXKDBHETSA-N	309.391	1.438	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1)c1cccnc1	916370297	BHDBTSNVTFZYJS-MGPQQGTHSA-N	318.421	1.667	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1	846643190	LFIPLJAEWHVEAC-SNVBAGLBSA-N	323.368	1.924	50	20	DDGD	
CC1(C)C[C@@H](C(=O)NNC(=O)C(C)(C)O)c2ccccc2O1	840434676	RTOPMDXVJGPKRW-LLVKDONJSA-N	306.362	1.250	50	20	DDGD	
CCNC(=O)NNC(=O)c1nc(C)sc1Br	847390917	OQNCLTTZXSEYQT-UHFFFAOYSA-N	307.173	1.178	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNc2ccnc(N(C)C)n2)cn1	740103111	MPSQOBFUXWIKAU-UHFFFAOYSA-N	316.365	1.482	50	20	DDGD	
CCN[C@H](C)CNC(=O)NNC(=O)c1cc2ccccc2o1	841986734	VHMZUJCVRCYVND-SNVBAGLBSA-N	304.350	1.375	50	20	DDGD	
C[C@@H]1CN(C[C@@H](C)C(=O)NN=Cc2ccsc2)C[C@@H](C)O1	916371834	MNBYQHKZRBCSFU-JHJVBQTASA-N	309.435	1.944	50	20	DDGD	
CO[C@H](C=NNC(=O)c1ccc(-n2cnnn2)cc1)CC(C)C	841613381	ZZHBQDJGGLHBGF-AWEZNQCLSA-N	316.365	1.439	50	20	DDGD	
CCOc1ccc(CN(C)CC(=O)NNC(=O)C(C)(C)C)cc1	744383784	BXCPEDSZYQBHJG-UHFFFAOYSA-N	321.421	1.711	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)Cn1nnnc1-c1ccsc1	848085166	PVCKWIXEJYLZSO-UHFFFAOYSA-N	320.205	1.664	50	20	DDGD	
Cn1c(C(=O)NNc2cccc([N+](=O)[O-])c2)ccc1[N+](=O)[O-]	747995583	SBUCLVKVGWZVKK-UHFFFAOYSA-N	305.250	1.598	50	20	DDGD	
CC(C)c1cccc2c1NC(=O)C2=NNC(=O)c1cnn(C)c1	841625625	IJQWWKAJZGFMHK-UHFFFAOYSA-N	311.345	1.630	50	20	DDGD	
CNc1cc(Cl)ccc1C(=O)NNC(=O)NCCCOC	847394588	YBPVOZPMAUHOBE-UHFFFAOYSA-N	314.773	1.362	50	20	DDGD	
COc1cccc2cc(C(=O)NNC(=O)N3CCOCC3)oc12	745986243	PFPRAPHYUHWITI-UHFFFAOYSA-N	319.317	1.128	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1cccc([N+](=O)[O-])c1Cl	841233294	QDIYPZJZVRZPDQ-UHFFFAOYSA-N	315.717	1.140	50	20	DDGD	
Cc1nn(-c2cccc(F)c2)cc1C=NNC(=O)CN(C)C	841626242	FMMBFIJXJXMXSG-UHFFFAOYSA-N	303.341	1.332	50	20	DDGD	
CCCC[C@H](CN)NC(=O)NNC(=O)c1cccc(Cl)c1	841958038	CXPBFDMBUJFPOG-GFCCVEGCSA-N	312.801	1.802	50	20	DDGD	
O=C(NNc1cccc(F)c1F)N[C@@H]1CC[C@H]2CNC[C@@H]2C1	842015272	LMYXTSMBOLLIDO-GARJFASQSA-N	310.348	1.979	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCC(=O)N1CCCCCC1	748343518	JPYLUDZSGJNQBQ-UHFFFAOYSA-N	312.414	1.156	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)N[C@H]1CCSC1	847327129	JXCWFVNCRVABLK-ZETCQYMHSA-N	318.200	1.371	50	20	DDGD	
NC1(CNC(=O)NNC(=O)c2cccc3cccnc23)CCC1	841967155	NMFMXGXSMXDBJZ-UHFFFAOYSA-N	313.361	1.060	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@](C)(O)CSc1cccc(F)c1	910154773	FGYYMITWHWWVBQ-YGRLFVJLSA-N	316.398	1.013	50	20	DDGD	
COc1ncnc(N)c1C=NNC(=O)c1ccc2ccccc2c1	747632822	ITNKMEDUCOXSSV-UHFFFAOYSA-N	321.340	1.985	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1CCCN1C(=O)C(F)(F)F	848084429	PCJFHHDOTDDOOC-LURJTMIESA-N	321.126	1.802	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cn2cc3ccccc3n2)n1	748553188	BWDOFPPDERESKM-UHFFFAOYSA-N	312.333	1.287	50	20	DDGD	
O=C(NN=C1CCCC[C@H]1N1CCCCC1)C(=O)NC1CC1	748780259	HFSXBAOPEHOXSG-CQSZACIVSA-N	306.410	1.166	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@H]1CCc2ccccc2O1	840444429	BAZVRNBCVHPNEV-SNVBAGLBSA-N	317.267	1.273	50	20	DDGD	
Cc1nnc(CCNC(=O)NNc2cc(F)ccc2F)s1	922514662	MGKZDLWAHNEDNZ-UHFFFAOYSA-N	313.333	1.994	50	20	DDGD	
COC(=O)c1cc(NNC(=O)N[C@@H]2COC[C@@H]2C)ccc1F	926017598	IGUVFOIISJQHHM-QPUJVOFHSA-N	311.313	1.273	50	20	DDGD	
CN(CC(=O)NCCC1=CCCCC1)S(=O)(=O)CCl	922091178	BMVOPKIQNFLZEK-UHFFFAOYSA-N	308.831	1.451	50	20	DDGD	
Cc1cc(OCC(=O)NNc2nc(O)c3ccccc3n2)no1	758308924	IEEYUKXSMRJRHZ-UHFFFAOYSA-N	315.289	1.154	50	20	DDGD	
CN(C)N(C(=O)c1ccc(CF)cc1)[C@@H]1CCS(=O)(=O)C1	854516840	SSHODEAGCDPORZ-CYBMUJFWSA-N	314.382	1.262	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cn[nH]c2)C12CCCC2	858260632	HGPUACKMCGLIDJ-VXGBXAGGSA-N	321.381	1.092	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccn([C@H](C)c2ccccc2)n1	757682249	JJPOERDLKRGDHB-LLVKDONJSA-N	317.349	1.292	50	20	DDGD	
CCOCCNC(=S)NNC(=O)c1ccc(Cl)cc1	750976429	XNXJXVLGTHEEJZ-UHFFFAOYSA-N	301.799	1.485	50	20	DDGD	
CN(C(=O)NC[C@@]1(C)C[C@@H]1Br)C1CCOCC1	856751555	BGMRIYKEHDADGK-CMPLNLGQSA-N	305.216	1.980	50	20	DDGD	
Cc1cc(=O)c(C(=O)NC[C@]2(C)C[C@@H]2Br)cn1C	857388811	WFUPJTDXRPZMML-AAEUAGOBSA-N	313.195	1.597	50	20	DDGD	
Cc1ccc(C(C)(C)CNC(=O)NNC(=O)C2CCC2)nc1	858761807	LSABGZIWAMLOIL-UHFFFAOYSA-N	304.394	1.798	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2CC(=O)N(C3CC3)C2)C[C@@H]1Br	857399034	QBDGXIGEIMSERM-GMOODISLSA-N	315.211	1.287	50	20	DDGD	
COc1ccc(F)c(CNS(=O)(=O)CBr)c1	856745639	ANMSVCNHQZYZRU-UHFFFAOYSA-N	312.160	1.606	50	20	DDGD	
CCc1nn(C)c(OC)c1C=NNC(=O)c1cccc(Cl)n1	853410727	WMECUWQCYMZRSL-UHFFFAOYSA-N	321.768	1.803	50	20	DDGD	
C[C@@]1(CNC(=O)CNc2ccc(C#N)cn2)C[C@H]1Br	857732859	DLQASWBDSUCSCW-MFKMUULPSA-N	323.194	1.655	50	20	DDGD	
CCOC(=O)NCCCC(=O)NC[C@@]1(C)C[C@H]1Br	857393778	MYSQKOCWNGAJJN-BXKDBHETSA-N	321.215	1.802	50	20	DDGD	
CO[C@@H]1C[C@@H](NC(=O)NNc2ncc(Cl)cn2)C12CCC2	856915588	PYHSGQXSOCLPNY-NXEZZACHSA-N	311.773	1.714	50	20	DDGD	
C[C@]1(CN2C(=O)N[C@@H](CC(F)F)C2=O)C[C@H]1Br	925005617	NHTUFUDDYKYOLY-BAJZRUMYSA-N	311.126	1.736	50	20	DDGD	
CCCOc1ncccc1CNC(=O)NNC(=O)C1CCCC1	920812994	IGCYHAKDSWKWAC-UHFFFAOYSA-N	320.393	1.891	50	20	DDGD	
CNC(=O)C1(C(=O)NC[C@]2(C)C[C@@H]2Br)CCC1	857399939	YEKVFKLVZBVNPA-KWQFWETISA-N	303.200	1.192	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=Cc1[nH]cnc1C	755543594	SXBGWOPSMQTCHX-UHFFFAOYSA-N	310.361	1.781	50	20	DDGD	
Cc1c(C(=O)NNC(=S)N[C@H](C)C2CC2)cnn1C(C)C	855099130	RUOGLHALHWNXBW-SECBINFHSA-N	309.439	1.680	50	20	DDGD	
Cc1ccccc1COCC(=O)NNC(=O)c1cccn1C	856743453	LIXNUANFMFTCFA-UHFFFAOYSA-N	301.346	1.311	50	20	DDGD	
O=C(COC(=O)[C@@H]1C[C@@H]1C1CC1)NNC(=O)c1cccs1	751747206	UHJSDGGHCGXNMM-NXEZZACHSA-N	308.359	1.098	50	20	DDGD	
C[C@@H]1CN(C2CC2)CC1=NNC(=O)COc1ccccc1C#N	755886854	DTYNPPNHANISAY-GFCCVEGCSA-N	312.373	1.523	50	20	DDGD	
O=C(Cn1cc(C2CC2)cn1)NNC(=O)OCC(F)(F)F	856026177	PIICWDGFPYTSKN-UHFFFAOYSA-N	306.244	1.080	50	20	DDGD	
CC1(C)C(=NNC(=O)C(=O)Nc2ccccn2)[C@@H]2CCCO[C@H]21	758380538	GCOAFNPRHSANKA-GXFFZTMASA-N	316.361	1.327	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)CCCNC(=O)C(C)(C)C	853409572	GJHFRZWKPKKXAM-UHFFFAOYSA-N	321.425	1.430	50	20	DDGD	
COCCCNC(=O)NN=Cc1c(C)nn(C(C)(C)C)c1C	755668201	JMCNOLPVXROZSZ-UHFFFAOYSA-N	309.414	1.925	50	20	DDGD	
CC[C@H]1C[C@@H](C(=O)NN(C)C(=S)NCCCOC)CCO1	854284039	UYYBSCUBSRUEFP-RYUDHWBXSA-N	317.455	1.066	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)[C@@H]1CCCS(=O)(=O)C1	856091987	LRLUKPIUHCYOKN-MRVPVSSYSA-N	303.771	1.003	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)c2ccc(O)cc2)C[C@@H]1Br	857390406	DTJWCAYQTMNACY-GWCFXTLKSA-N	312.163	1.865	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cc(O)cc(Br)c1	858143591	NVBIPIJJYFYNHF-UHFFFAOYSA-N	301.140	1.572	50	20	DDGD	
C[C@H]1COCCN1CCNC(=O)NNc1ccc(Cl)cn1	852193002	XQZYJKPUIQTVGQ-JTQLQIEISA-N	313.789	1.082	50	20	DDGD	
COC(=O)C1(CNC(=O)NNC(=O)c2ccccc2)CCCC1	752003822	VXKHIZINAILBMP-UHFFFAOYSA-N	319.361	1.364	50	20	DDGD	
CC(C)N1CCC[C@@H]1C(=O)NNC(=O)CCc1ccccc1	931349082	SRJMXHXLQCLJDS-OAHLLOKOSA-N	303.406	1.639	50	20	DDGD	
CCn1cc(C(=O)NNc2ccccc2S(C)(=O)=O)c(C)n1	860196560	CLBVLTJNPYJJAP-UHFFFAOYSA-N	322.390	1.372	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@@H](c1ccc(OC)nc1)C1CC1	860207207	FPISNVHUHYCOJA-ZUZCIYMTSA-N	320.393	1.077	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2nc3ccccc3[nH]c2=S)CN1	862291185	GHZDUJYAORCFIF-QMMMGPOBSA-N	317.374	1.262	50	20	DDGD	
COCC(=O)NNC(=S)Nc1ccc(OC(F)(F)F)cc1	761837499	IFSCYHUHLVXSQC-UHFFFAOYSA-N	323.296	1.549	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2c(C)cc(C)cc2C)n(C)n1	866871814	BYWKRQMVLZMJBV-UHFFFAOYSA-N	316.361	1.889	50	20	DDGD	
C[C@@H](NNC(=O)c1cccc(C[S@](C)=O)c1)C(F)(F)F	862306202	GEXSQRFWODQNHT-SQFXPLBJSA-N	308.325	1.750	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12	930717795	KTNAANZZLGMVKF-BZNIZROVSA-N	316.361	1.027	50	20	DDGD	
CC(C)CN1C[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2)CC1=O	768243778	YVUQUBNNADQNGN-LLVKDONJSA-N	320.349	1.542	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1ccc2c(c1)N(C)C(=O)CO2	861735161	OEKPGXDXXNWMAV-UHFFFAOYSA-N	317.172	1.918	50	20	DDGD	
CC(C[C@@H](C)NC(=O)OC(C)(C)C)=NNC(=O)c1cn[nH]c1	863154541	FQBUKJHKDOCRGE-SECBINFHSA-N	309.370	1.819	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1cc2cccc(C)c2s1	869906089	QWBYNCMYKHVWTR-UHFFFAOYSA-N	322.386	1.634	50	20	DDGD	
CNC(=O)C1(C(=O)N(C)NC(=O)OCc2ccccc2)CCC1	862287158	HUSTZQCUDWQTSH-UHFFFAOYSA-N	319.361	1.203	50	20	DDGD	
CCO[C@@H](C(=O)NNc1ccc(S(C)(=O)=O)cc1)C1CC1	860314934	IATDVPCPRFLRFZ-CYBMUJFWSA-N	312.391	1.348	50	20	DDGD	
CC[C@]1(C(=O)NNc2cc(C(F)(F)F)ccn2)CCNC1=O	868606848	FKBDTDUQGXJHHI-LBPRGKRZSA-N	316.283	1.460	50	20	DDGD	
Cc1cc(=NNC(=O)CSCc2csc(C)n2)cc[nH]1	1118943338	MSKQJIIWPAOMAX-UHFFFAOYSA-N	308.432	1.953	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2ccc(C)cc2O)n(C)n1	878326407	SHFXHTJYBDJLPP-UHFFFAOYSA-N	302.334	1.071	50	20	DDGD	
COc1ccc(CCCCC(=O)NN(C)C(N)=O)cc1OC	879354463	WRDRTDHHWMKMSU-UHFFFAOYSA-N	309.366	1.458	50	20	DDGD	
CCCCCS(=O)(=O)CC(=O)NNc1ccc(F)cn1	874649806	IHDYXMLSIIYBRX-UHFFFAOYSA-N	303.359	1.269	50	20	DDGD	
COCC[C@H](C)NC(=O)NNC(=O)c1nc2ccccc2s1	872865019	OUGCQKJOUTUNEE-VIFPVBQESA-N	322.390	1.665	50	20	DDGD	
O=C(CC1OCCO1)NNC(=S)Nc1cccc(Cl)c1	873787043	QPANQUXPDAPRFX-UHFFFAOYSA-N	315.782	1.421	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccc(C(F)(F)F)cc1)NC1CC1	874193948	KEYYOMVLUKEQGV-SNVBAGLBSA-N	317.267	1.232	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(-n2nc(C)cc2C)nc1	878253342	AGDBJTOEPLABNG-UHFFFAOYSA-N	318.381	1.499	50	20	DDGD	
COc1cccc2c1OCCCC2=NNC(=O)N1CCOCC1	872346341	QFVDXWJITBPQKY-UHFFFAOYSA-N	319.361	1.614	50	20	DDGD	
CC[C@@]1(C)COCCN1CC(=O)NNC(=O)c1cccc(C)c1	777714151	WSGOTTCRIRRQHM-KRWDZBQOSA-N	319.405	1.257	50	20	DDGD	
CCNC(=O)CCC(=O)NNc1ccc(C(F)(F)F)cn1	775261421	DXVHQLWXKYTOKT-UHFFFAOYSA-N	304.272	1.460	50	20	DDGD	
Cc1cc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)ccc1O	772239855	GPFNMBHKHOBVRN-LLVKDONJSA-N	322.361	1.439	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2ccc(Br)cc2)C1=O	773454256	AVAXIHDLOMVLNJ-JTQLQIEISA-N	312.167	1.371	50	20	DDGD	
COc1ccc(C(=O)NNc2ccn(C)n2)cc1OC(F)F	1116852668	QCUNSOKUMKYXRA-UHFFFAOYSA-N	312.276	1.787	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccccc1OCC(F)F	1119298535	HLTRXLRMYXSSTH-UHFFFAOYSA-N	316.304	1.444	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=S)Nc1cccc(C)c1	873777746	YPOGXIOMHYQNTO-OLZOCXBDSA-N	305.403	1.904	50	20	DDGD	
CSc1ccc([N+](=O)[O-])cc1C(C)=NNC(=O)CN(C)C	872347964	JUMNOEYFWNWCBA-UHFFFAOYSA-N	310.379	1.719	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2c3c(nn2C)CCCC3)cn1	870878542	NUWHUNZBBNMRKP-GHXNOFRVSA-N	310.361	1.578	50	20	DDGD	
Cc1cc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)c(C)o1	771869036	VIRACJFFANYYLM-LLVKDONJSA-N	310.350	1.635	50	20	DDGD	
C=CCOCC(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	772967206	OCDZJVPXDRPWRC-JTQLQIEISA-N	312.753	1.457	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(Br)cnc1C	879786573	KPEHZFHHXIQLKJ-UHFFFAOYSA-N	317.187	1.767	50	20	DDGD	
C=CCSc1ccccc1C(=O)NNc1nnc(C)c(O)n1	777100651	SEYPSRPYUHMAOU-UHFFFAOYSA-N	317.374	1.921	50	20	DDGD	
CSCCNC(=S)NNC(=O)CCCCN1CCCC1	770247696	QRGGYFSMMYLPPP-UHFFFAOYSA-N	318.512	1.111	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=Cc2cnccc2N(C)C)c1	776179304	PWPBQZPGPQSWKE-UHFFFAOYSA-N	311.389	1.978	50	20	DDGD	
O=C1CCC[C@@H]1[C@@H]1COCCN1S(=O)(=O)CCCCl	882054925	CQQBMOZFWJZLEI-MNOVXSKESA-N	309.815	1.015	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCC(F)F)c1F	1123723458	RSDBTYROMWFEOD-UHFFFAOYSA-N	305.256	1.894	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H]1CCn2ccnc2C1	772868316	GHBCSKYOTNSOKT-LLVKDONJSA-N	300.366	1.502	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCN(CC(N)=O)C1CCOCC1	880396109	XUJXHCPMZBBXFS-UHFFFAOYSA-N	316.518	1.975	50	20	DDGD	
COc1cc(C)cc(C=NNC(=O)Cc2cc(C)[nH]n2)c1O	884410660	QIVQSAUWLMFXJO-UHFFFAOYSA-N	302.334	1.434	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N(CC(F)F)C1CCC1	884438785	KVNSNEISIUVPBN-PSASIEDQSA-N	305.325	1.272	50	20	DDGD	
O=C(NCC1CC1)C(=O)NNC(=O)c1ccc2ccccc2c1	788499559	XJMFJBMOVKJWEL-UHFFFAOYSA-N	311.341	1.127	50	20	DDGD	
CO[C@H](C)CCC(=O)NNC(=O)COc1ccc(C)c(C)c1	782550034	XGGSHCPDBYGAMT-CYBMUJFWSA-N	308.378	1.645	50	20	DDGD	
O=C(NN=Cc1c(-n2ccnc2)nc2ccccn12)C(F)F	782236042	OXAVXKJFOKKZCY-UHFFFAOYSA-N	304.260	1.235	50	20	DDGD	
Cc1nc(C(C)C)ncc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	880405774	OMSLYNCMNSVZLJ-QWRGUYRKSA-N	306.366	1.094	50	20	DDGD	
O=C(NN=C1CCC2(CCCO2)CC1)C(=O)Nc1ccccn1	788020004	HUCSSNIYNZUBQS-UHFFFAOYSA-N	316.361	1.616	50	20	DDGD	
Cn1cccc1C(=O)NN=C1CCOC[C@H]1CN1CCCCC1	787151532	FVVAXSFPAZCJCG-CQSZACIVSA-N	318.421	1.633	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H](C2CCCC2)C1)c1cccnn1	883853143	DHYPQYALISUTMR-LBPRGKRZSA-N	303.366	1.343	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCOCC2)c(F)c1)C(F)F	782234565	BBVGBURJIOCOFY-UHFFFAOYSA-N	301.268	1.378	50	20	DDGD	
N#C/C(=C\c1ccccc1)C(=O)OCCN1C[C@@H]2CC[C@H](C1)O2	785344766	MMVHEQSXPSRELE-JOQXAKKRSA-N	312.369	2.000	50	20	DDGD	
C[C@H]1CC[C@@H](NC(=O)NNc2ccc(-n3cccn3)nn2)C1	780799579	HZDLPUNDTPISEW-WDEREUQCSA-N	301.354	1.477	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NCCC#N	787354502	MCROQQSKWMRHIP-VIFPVBQESA-N	310.741	1.351	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccc(C)n2C)cc1C	783477147	NICYHKRQFWXIFP-UHFFFAOYSA-N	315.373	1.790	50	20	DDGD	
CC(=O)CSCC(=O)NNC(=O)Cc1ccc(Cl)cc1	786681022	PQWYJRKERWXISA-UHFFFAOYSA-N	314.794	1.352	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@H]1CCCc2c(O)cccc21	789832148	YMZNATQZICMHGJ-LBPRGKRZSA-N	302.309	1.885	50	20	DDGD	
CC1(C)OC[C@H](CNC(=O)NNc2ccc(Cl)nc2)O1	783269091	TWUZFVWJYIYGPM-VIFPVBQESA-N	300.746	1.513	50	20	DDGD	
COCc1cc(C=NNC(=O)CCc2ccccc2O)no1	794909913	UIYQPRWJRKNQNM-UHFFFAOYSA-N	303.318	1.610	50	20	DDGD	
C[C@H]1CCN(Cc2ccccc2)CC1=NNC(=O)C[N+](C)(C)C	794456193	JDPFJYIZQVPTAF-HNNXBMFYSA-O	317.457	1.707	50	20	DDGD	
CO[C@H]1CCN(CC(=O)NNC(=O)c2ccc(C)cc2)[C@@H](C)C1	799343649	LMIFZWIHIHUNJX-ZFWWWQNUSA-N	319.405	1.255	50	20	DDGD	
CS[C@H]1CC[C@@H](NC(=O)NNc2nc3ccccn3n2)C1	790399622	RGNVIBSWZVJMGW-ZJUUUORDSA-N	306.395	1.640	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)c2cccc(C)n2)ccc1C	794090585	VUWKJHPXIKKOQV-UHFFFAOYSA-N	311.341	1.976	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CCc1ccc(N(C)C)cc1	1321415378	RWXHERPHEDWPRA-UHFFFAOYSA-N	308.451	1.589	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2nccnc2Cl)c(C)n1	1321656219	MMEFVVXTRPRTAP-UHFFFAOYSA-N	320.740	1.224	50	20	DDGD	
COc1cc(C)cnc1C(=O)NNc1nncc(N)c1Cl	1320860151	PIMXAFVEWYCBCF-UHFFFAOYSA-N	308.729	1.181	50	20	DDGD	
COCc1cc(C=NNC(=O)c2n[nH]c3c2CCCC3)no1	1322037637	YMAILHKMNDJJKK-UHFFFAOYSA-N	303.322	1.187	50	20	DDGD	
C=C[C@H](COC)NC(=O)NNC(=O)COc1cc(C)ccc1C	1320312789	JUEILXAHKNUDRU-CYBMUJFWSA-N	321.377	1.214	50	20	DDGD	
O=C(NN=Cc1ccc2c(c1)CCC2)C(=O)Nc1ccccn1	1252876450	LVMHOGFFKWSMPF-UHFFFAOYSA-N	308.341	1.659	50	20	DDGD	
COCCC(Cc1cccc(F)c1)=NNC(=O)c1cccnn1	1331347721	ZNYSULFHQAQLCP-UHFFFAOYSA-N	316.336	1.981	50	20	DDGD	
C=C(C)[C@@H](CC(=O)NNC(=O)c1n[nH]c2c1CCCC2)OCC	1335748688	RTDDVAGPNMSBRA-CYBMUJFWSA-N	320.393	1.421	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H](C)c2noc(C)n2)cc1	1261102570	UPIYYCMDHLOJHB-MRVPVSSYSA-N	319.321	1.092	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NC[C@@H]1CCCCN1C	1345393578	VSXWZEFHRQJDAU-ZDUSSCGKSA-N	319.409	1.815	50	20	DDGD	
Cn1nc2c(c1C(=O)NNc1cccc(C(=O)O)c1F)CCC2	1601018125	ZMNFZFDEZCBYMH-UHFFFAOYSA-N	318.308	1.503	50	20	DDGD	
O=C(NC[C@@H]1CCCCN1)NNc1ccc(F)c(C(=O)O)c1	1608435469	KPNJXSCHKSIZBA-JTQLQIEISA-N	310.329	1.292	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)Nc1ccc(C(=O)O)cn1	1601252899	MAHWRAKEZMWMGY-UHFFFAOYSA-N	306.322	1.513	50	20	DDGD	
CNc1cnc(C(=O)NNc2cccc(C(=O)O)c2F)cn1	1606313457	QGBLLFQIWRBNJR-UHFFFAOYSA-N	305.269	1.113	50	20	DDGD	
Cc1cc(/C=C(\C#N)S(=O)(=O)NC2CC2)ccc1C(=O)O	1607635352	WQFPCMZUASENAZ-KPKJPENVSA-N	306.343	1.640	50	20	DDGD	
O=C(CCCn1ccc(C(=O)O)n1)NNc1cccc(F)n1	1608306791	AITHGTITHZLVNB-UHFFFAOYSA-N	307.285	1.039	50	20	DDGD	
N#C/C(=C\c1cccc(-c2nn[nH]n2)c1)C(=O)C1CCOCC1	1609493241	KFAWFMDBDPHWCB-NTEUORMPSA-N	309.329	1.769	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)c1ccc(-c2nn[nH]n2)o1	1605223388	AGPRTZWHKCJBPX-UHFFFAOYSA-N	318.268	1.364	50	20	DDGD	
O=C(NCCC1=CCNCC1)NNc1cccc(C(=O)O)c1F	1601490197	XHIGOMVOFJFPAP-UHFFFAOYSA-N	322.340	1.460	50	20	DDGD	
C[C@H]1CC(=O)CC[C@@H]1C(=O)NNc1cccc(C(=O)O)c1F	1609842958	UNNCRNOROODDBM-WPRPVWTQSA-N	308.309	1.972	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cccc3nsnc23)nc1	1602382960	LLDFPJWTDGIXPU-UHFFFAOYSA-N	315.314	1.541	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2c[nH]c(C(F)(F)F)c2)nc1	1608904199	MBLWVQPJVBNIEZ-UHFFFAOYSA-N	314.223	1.884	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1605027613	BCZQJIMRYYNDMR-VXGBXAGGSA-N	302.338	1.125	50	20	DDGD	
CCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](F)Cl)sc2C1	1817117042	HHXDZCKFCDHVPC-LHLIQPBNSA-N	319.789	2.000	50	20	DDGD	
CCOc1ccc(NNC(=O)c2cc3n(n2)C[C@@H](C)NC3)cc1	1578183603	VSDWQCMGQWTTRN-LLVKDONJSA-N	315.377	1.530	50	20	DDGD	
Cc1cc(F)c2c(c1)N[C@@H](C(=O)NNC(=O)c1ccc[nH]1)C2	1579611510	UVJCWQICYDWKMF-CYBMUJFWSA-N	302.309	1.260	50	20	DDGD	
CC(C)(CCl)C(=O)N1CCCC12CN(C(=O)c1cc[nH]n1)C2	1841225303	DYVMNKJUMYUPFX-UHFFFAOYSA-N	324.812	1.492	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNc1nc2cccnc2s1)C(=O)O	1588825489	ULESKEOIYVUAEV-QMMMGPOBSA-N	323.378	1.674	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@@H](C)CC(=O)O)c(OC)c1	1598984001	FQSNMVJNRXGRCI-SECBINFHSA-N	324.333	1.426	50	20	DDGD	
CCc1cc(CNC(=O)NNc2ccc(C(=O)O)cc2F)on1	1597478151	DHFVGTRHUCAVHW-UHFFFAOYSA-N	322.296	1.901	50	20	DDGD	
CNc1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)nc1	1591224959	JCFYTZWHWGTMQZ-UHFFFAOYSA-N	310.321	1.060	50	20	DDGD	
CC(=NNC(=O)c1ccc(C(=O)O)cc1)c1csc(N)n1	1776099194	UJZHDWQKFUMLGU-UHFFFAOYSA-N	304.331	1.578	50	20	DDGD	
COC(=O)NN=Cc1cc(C(=O)O)ccc1Br	1776011825	RCUYITPNNVACOM-UHFFFAOYSA-N	301.096	1.837	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)CCn2cc([N+](=O)[O-])cn2)c1	150798555	SFNBIHZEQQWQBW-UHFFFAOYSA-N	307.285	1.772	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)OC)c(=O)c2cc(Cl)ccc21	158926747	NRKRDVCMWYCUHN-UHFFFAOYSA-N	323.736	1.676	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1csc([C@@H]2CCCO2)n1	160199302	CPGMDAIJKUFUMQ-JTQLQIEISA-N	306.347	1.398	50	20	DDGD	
CN(C)S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2	151921188	MUHXRDWWCSTCIK-UHFFFAOYSA-N	317.436	1.058	50	20	DDGD	
CC(=O)NCc1ccc(C(=O)NNc2cccc(C#N)c2)cc1	152244308	WIQJELJLTLFVOM-UHFFFAOYSA-N	308.341	1.951	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C[C@@H](C)c1c(C)n[nH]c1C	153476007	OAHIHRYIRVLQTP-SSDOTTSWSA-N	304.354	1.013	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)[nH]1	156396973	FVAUFIOXYBSZCK-ZDUSSCGKSA-N	315.329	1.233	50	20	DDGD	
O=C(Cc1ccccc1)NCC(=O)NNc1ccncc1Cl	154690666	ANUGCNJZRRMDDN-UHFFFAOYSA-N	318.764	1.537	50	20	DDGD	
CN1CCC2(CCCN2S(=O)(=O)CBr)CC1	373312163	YGXVMLXFFDGRRU-UHFFFAOYSA-N	311.245	1.229	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@]1(C)C[C@H]1Br	2280700	HWGCUVGSIUBHSK-LHLIQPBNSA-N	308.245	1.454	50	20	DDGD	
COC[C@H](C)NC(=S)NNC(=O)c1ccc(Cl)cc1F	7960073	VEIDRZOJBGVWGK-ZETCQYMHSA-N	319.789	1.623	50	20	DDGD	
CSc1ccsc1C(=O)NNC(=O)Cc1cccnc1	107147234	RXHHFLXLPKUDEU-UHFFFAOYSA-N	307.400	1.869	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1cc(F)cc(F)c1	103060361	FPPZXNKQKBSVSG-UHFFFAOYSA-N	306.334	1.711	50	20	DDGD	
CCOCCC1(CNC(=O)NNC(=O)c2ccc[nH]2)CCCC1	119140956	SZTLSGZFGCYWRG-UHFFFAOYSA-N	322.409	1.946	50	20	DDGD	
CCCOc1ccc(OCC(=O)NNc2cccnn2)cc1	172369099	PUNBHVCBBWSDEH-UHFFFAOYSA-N	302.334	1.788	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1ccc2c(c1)OCCO2	118499492	CXHFXTIQZUNMPF-UHFFFAOYSA-N	306.709	1.658	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C[C@@H](C)C(C)C	69372206	GLORCPCRULINQW-GFCCVEGCSA-N	307.394	1.937	50	20	DDGD	
CC(=O)Nc1ccc(CC(=O)NNc2nccnc2Cl)cc1	114897022	BPUQBZGOBYWCOK-UHFFFAOYSA-N	319.752	1.774	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCc1nnc[nH]1)c1ccccc1	177206730	SVZWMSZRTBEWTH-LBPRGKRZSA-N	301.350	1.079	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)Nc2ccc(F)c(F)c2)cc1	119722751	WDQDWDLVXUYPCM-UHFFFAOYSA-N	316.267	1.918	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1nnc2n1CCCCC2	171455324	MADSIFVVHNYEKM-UHFFFAOYSA-N	322.413	1.271	50	20	DDGD	
C[C@H]1[C@@H](C)SCCN1C(=O)NNC(=O)Cc1cccnc1	118480424	IQOZSEBAUPQUKT-WDEREUQCSA-N	308.407	1.191	50	20	DDGD	
O=C(NNc1ccccc1)[C@H]1CC[C@H](C(F)(F)F)NC1=O	171861416	BHMSVZDVABYVMM-VHSXEESVSA-N	301.268	1.587	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1sccc1Br	120900988	MYNQKIHMKDPPHI-UHFFFAOYSA-N	315.170	1.060	50	20	DDGD	
CCCC(=O)N1CCCC[C@@H]1C(=O)NNc1cc(C)nc(C)n1	128775890	BAVGINMMONNEKQ-CYBMUJFWSA-N	319.409	1.718	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNc1ncccn1)c1ccccc1	125868479	KLHWLFZNOWMWNF-CYBMUJFWSA-N	300.366	1.406	50	20	DDGD	
C[C@H](CO)CSCC(=O)NNC(=O)c1ccccc1Cl	74785438	AGYHKILKPDTYJE-SECBINFHSA-N	316.810	1.463	50	20	DDGD	
Cc1c(Cl)cccc1NC(=O)C(=O)NNC(=O)C(C)(C)C	184500823	GXAWWPZPPSQITP-UHFFFAOYSA-N	311.769	1.780	50	20	DDGD	
COCc1cccc(NC(=O)NNC(=O)Cc2cccnc2)c1	183622750	NRUCCQIWRVJRCM-UHFFFAOYSA-N	314.345	1.623	50	20	DDGD	
O=C(CCc1ccccc1O)NNS(=O)(=O)c1ccccc1	73569593	YEIVJPSMGUAEOT-UHFFFAOYSA-N	320.370	1.335	50	20	DDGD	
O=C(NNC(=O)c1ccc(F)cn1)c1cccc([N+](=O)[O-])c1	181281885	DMNJELWYQPGWGY-UHFFFAOYSA-N	304.237	1.204	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCC(n2ccnn2)CC1	154943119	HGAFDICABKSXAL-UHFFFAOYSA-N	306.819	1.264	50	20	DDGD	
O=C(NCCCCCN1CCCCC1)NNc1cccnn1	77664302	GKEYTGVJCVVRRW-UHFFFAOYSA-N	306.414	1.759	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1cc(C)nn1C	125769810	MKLXPGHPZKNDCG-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@H](Cc1ccccc1)C1CC1	77646245	DXBFMEOWJDIQAD-CABCVRRESA-N	317.389	1.517	50	20	DDGD	
C[C@H](Sc1nnnn1C1CC1)C(=O)NNc1ccc(F)cc1	127560788	PZZVVVVLJYMRQH-QMMMGPOBSA-N	322.369	1.771	50	20	DDGD	
O=C(CN1CCC[C@@H]2CCC[C@@H]21)NNC(=O)c1ccccc1	182353424	LFUYHZVKUOUHBE-ZFWWWQNUSA-N	301.390	1.712	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1cnc2ccccc2n1	138965903	XMLZWKBWHSTWNB-UHFFFAOYSA-N	311.301	1.367	50	20	DDGD	
CC(C)C[C@@H](C)OCCC(=O)NNC(=O)Cc1ccncc1	87357554	OYWFUQAVZWKNPS-CYBMUJFWSA-N	307.394	1.613	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cn1	193880449	ZEUMRBZTILMTCF-UHFFFAOYSA-N	319.252	1.211	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@H](CCO)CC(C)C)o1	85415900	CZKXUVHTTUBOAF-GFCCVEGCSA-N	311.382	1.577	50	20	DDGD	
O=C(NNC(=O)c1occc1Br)NC1CCCC1	81726700	DUVBLBZIHIJSQA-UHFFFAOYSA-N	316.155	1.929	50	20	DDGD	
COc1nccnc1NNC(=O)c1cnn(Cc2ccccc2)c1	132135430	JQPBXFXOTZMLNA-UHFFFAOYSA-N	324.344	1.487	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)NC[C@@H]2C[C@@H]2C)cc1OC	47099071	NOEGPMDFEOFENF-JQWIXIFHSA-N	321.377	1.694	50	20	DDGD	
Cc1n[nH]c(SCC(=O)NNc2cc(C#N)cc(Cl)n2)n1	93546865	AXYLZZQFUPRUTQ-UHFFFAOYSA-N	323.769	1.269	50	20	DDGD	
CC(=NNC(N)=O)c1ccc(I)cc1	256175109	ZLFXAGIDVUHSQL-UHFFFAOYSA-N	303.103	1.684	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CC(=O)N(C)C2)cc1	263802003	LBKVWODLFFFKGO-MAUPQMMJSA-N	313.357	1.339	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H]1CC[C@H](CC)O1	268235742	MKVCOECFRKHLMH-DZGCQCFKSA-N	320.389	1.733	50	20	DDGD	
O=C(NCC1(c2cccc(F)c2)CC1)NNC(=O)C1CCC1	265750430	HNNDBEWHVJZYAT-UHFFFAOYSA-N	305.353	1.988	50	20	DDGD	
O=C(CCNc1ccccc1[N+](=O)[O-])NNC(=O)C1CCC1	264792446	SDOKUIYCTGMKED-UHFFFAOYSA-N	306.322	1.344	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=S)Nc2ccccc2OC)O1	268259919	RBDZSWNFPGJJGG-GXFFZTMASA-N	323.418	1.970	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCN(C)C1CCCC1	264318487	OKRWJNJIBHNHJP-UHFFFAOYSA-N	318.421	1.813	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)c1cc(Br)ccc1O	266455276	DYFSKIZPSFGSHA-ZETCQYMHSA-N	315.167	1.962	50	20	DDGD	
Cn1cccc1CNC(=O)NNC(=O)C(C)(C)c1ccccc1	266602605	BMAWLVXDMQBADI-UHFFFAOYSA-N	314.389	1.833	50	20	DDGD	
CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CC=C(C#N)CC1	271143141	SNFWFMPRHRBQCO-AWEZNQCLSA-N	301.346	1.716	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2c(F)cccc2F)[C@H]1OC	275190540	FMRPOHUXPGOKAV-DMDPSCGWSA-N	315.320	1.783	50	20	DDGD	
C[C@H]1CCCN(C(=O)C(=O)NNc2ccc3ccccc3n2)C1	278467930	SXBOPZNUBYMQDC-LBPRGKRZSA-N	312.373	1.936	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCC2=CCN(C)CC2)cc(C#N)n1C	271991602	QCCCHECLGSXJPL-PXNMLYILSA-N	323.400	1.490	50	20	DDGD	
CCCCOCC(=O)NNc1ncc(C(=O)OCC)c(C)n1	272170499	JKGZJKTYRXZARQ-UHFFFAOYSA-N	310.354	1.222	50	20	DDGD	
Cc1coc2ccc(NC(=O)C(=O)NNC(=O)CC(C)C)cc12	275015159	GANYSMOQBGZYKR-UHFFFAOYSA-N	317.345	1.873	50	20	DDGD	
C[C@@H]1C[C@H](CCNC(=O)NNC(=O)Cc2ccncc2)CCO1	273065925	INGMQJFDHPOJRV-TZMCWYRMSA-N	320.393	1.160	50	20	DDGD	
CCc1cc(NC(=O)NNC(=O)c2cccc(C)n2)n(C)n1	281568180	YUTDBQSHDOVVIM-UHFFFAOYSA-N	302.338	1.152	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2nccnc2C2CCC2)CC1	287274606	STTBXBLCPWIFJF-UHFFFAOYSA-N	304.350	1.531	50	20	DDGD	
CSSCCNC(=O)NCc1cnc(N(C)C)n1C	285654885	ZVTKAANMMBSIIN-UHFFFAOYSA-N	303.457	1.297	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1O[C@@H](C)C[C@@H]1C	282298804	WYVKYJAWFWPTRY-ZIBATOQPSA-N	306.362	1.199	50	20	DDGD	
Cn1cncc1CCC(=O)NNc1ccc(C(F)(F)F)nn1	281213230	NWCIQOHVROVWPC-UHFFFAOYSA-N	314.271	1.305	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	285105251	UHCJDXKRCNIKNA-MRXNPFEDSA-N	316.361	1.329	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccccc1COC1CCOCC1	286444555	RXXDNJONWBOGKY-UHFFFAOYSA-N	322.361	1.725	50	20	DDGD	
CCc1c(C(=O)NNC(=O)C(=O)NC2CC2)oc2ccccc12	294605624	ZOYRGOWZXNUARD-UHFFFAOYSA-N	315.329	1.035	50	20	DDGD	
COc1ccc([C@H](C)NC(=O)NNc2nccc(OC)n2)cc1	299449047	NQDHERTXPAMKAX-JTQLQIEISA-N	317.349	1.881	50	20	DDGD	
CNC(=O)NCCC(=O)NNc1ccc([N+](=O)[O-])cc1Cl	293345131	KKHNNDYQZPGHNQ-UHFFFAOYSA-N	315.717	1.010	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H]2CC2(F)F)nc1C	294905141	HKNQZZUEFYHZLL-QMMMGPOBSA-N	300.265	1.060	50	20	DDGD	
CC[C@@H](C)N[C@@H](CNC(=O)NNc1ncccn1)c1ccco1	807442661	KOHOFLGZOFJVJM-NEPJUHHUSA-N	318.381	1.825	50	20	DDGD	
O=C(NNc1cccc(F)n1)Nc1cccc2c1CNC2=O	806753356	MINOKRWPCIEOOP-UHFFFAOYSA-N	301.281	1.613	50	20	DDGD	
O=S(=O)(CCCCCl)N1C[C@H](CO)c2ccccc21	292684963	KOXXGKDPLICGBT-LLVKDONJSA-N	303.811	1.931	50	20	DDGD	
O=C(Cc1ccc2c[nH]nc2c1)NNC(=O)CC(F)(F)F	806537934	YQWOITVGJCHGSE-UHFFFAOYSA-N	300.240	1.205	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cccnc2F)cc1C	806273490	BFZOKFVJHHLJED-UHFFFAOYSA-N	317.320	1.678	50	20	DDGD	
Cc1c([C@@H](C)NC(=O)NNc2ncc(F)cc2F)cnn1C	296925815	AUWJOLOGVFXIKZ-SSDOTTSWSA-N	310.308	1.789	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ncn(C(C)(C)C)n2)s1	292327005	MRZIIWSMWJVCDF-UHFFFAOYSA-N	307.379	1.478	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C[C@H]1CCC[C@H]1C	807372010	YOMSUXURCMPHNC-VXGBXAGGSA-N	300.399	1.749	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1CC[C@H](C(=O)OC)O1	291538053	KXTPJHOYBXUBOQ-QWHCGFSZSA-N	306.362	1.721	50	20	DDGD	
CC(=NNC(=O)c1nnc(O)c2ccccc12)c1cn(C)c(C)n1	800806527	BEWPUYJSBIPFRR-UHFFFAOYSA-N	324.344	1.531	50	20	DDGD	
CC(C)[C@H]1CN(S(=O)(=O)CBr)CCS1	707276026	RZLNPSYYGNGJFU-MRVPVSSYSA-N	302.259	1.742	50	20	DDGD	
CCc1oc(C=NNC(=O)NCCCOC)cc1C(=O)OC	800810995	COAHDLFWSYFJSW-UHFFFAOYSA-N	311.338	1.298	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)Nc2ccccc2)cc(O)n1	801990627	RHVQBXOFXBPAML-UHFFFAOYSA-N	300.318	1.816	50	20	DDGD	
CN1C(=O)CC[C@@H]1C(=O)NNC(=O)c1cccc2ccccc12	806917076	OQNVAXWYVYFROV-CQSZACIVSA-N	311.341	1.222	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@H](CC)NC(=O)OC(C)(C)C	297079630	YJXFBDONYYHROV-IIANPFDCSA-N	311.382	1.850	50	20	DDGD	
CSSCCNC(=O)NCc1nc(C(F)(F)F)n[nH]1	807143594	JKSWWGSUGMOYTA-UHFFFAOYSA-N	315.346	1.634	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1cccc2c1CNC2=O	806755255	HZYVMKARXPJQTP-UHFFFAOYSA-N	302.334	1.273	50	20	DDGD	
COC(=O)N(C)NC(=O)C[C@@H](c1ccccc1)N1CCOC1=O	804124642	JFCREFAANQZXJV-LBPRGKRZSA-N	321.333	1.299	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)CNc1ccc(C)cc1C)C1CC1	292772298	WUFKUGARUMNNHQ-KRWDZBQOSA-N	319.405	1.678	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CS(=O)(=O)C(C)C	805383366	YLQNFBKMLXCIKM-UHFFFAOYSA-N	315.351	1.170	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2ccc3c(=O)[nH]ccc3c2)CCO1	803437402	PDPJVPLNYQLUDP-JQWIXIFHSA-N	301.346	1.786	50	20	DDGD	
C=C[C@@H](O)C(=O)NNC(=O)c1ccc(OCCCCCC)cc1	816830895	YEUXGOAKGMOIFM-OAHLLOKOSA-N	320.389	1.954	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@H]2CCC(=O)NC2)cc1C	812723280	CDYOILXZGOJHQA-NSHDSACASA-N	319.361	1.141	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C[C@H](C)n2cccn2)c1O	819845720	OEIZFCGJEVMUNV-JTQLQIEISA-N	318.333	1.010	50	20	DDGD	
Cc1cc(NNC(=O)CCCn2c(C)cc(=O)cc2C)ncn1	810407233	BKSPWMYXFWNZSS-UHFFFAOYSA-N	315.377	1.487	50	20	DDGD	
Cn1nc(C(=O)NN=C2CCOC2(C)C)c2ccccc2c1=O	814739615	XNAISINAEQNEBW-UHFFFAOYSA-N	314.345	1.218	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1ccc2c(c1)OCO2)n1cccn1	819004353	YDKBDFIWYLCMNX-SNVBAGLBSA-N	316.317	1.024	50	20	DDGD	
CC(C)N1C(=O)C(=NNC(=O)Cc2cc[nH]n2)c2ccccc21	814954654	JQNFWTPTQADFPS-UHFFFAOYSA-N	311.345	1.228	50	20	DDGD	
Cc1ccc(CCCC(=O)NNC(=O)c2ccnnc2)s1	817693678	UQPVOKAXFJPXPE-UHFFFAOYSA-N	304.375	1.630	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1cnc(Cc2ccc(F)cc2)s1	816631924	MDQSMAWMTVWHBZ-UHFFFAOYSA-N	318.337	1.748	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)CC(C)(C)C1CC1	495607624	YHNCTCPNGRHCON-UHFFFAOYSA-N	313.398	1.485	50	20	DDGD	
CN(C)CC(=O)NN=C1CCC[C@@H](NC(=O)OC(C)(C)C)C1	497153762	WIXZMMPTKNKQND-LLVKDONJSA-N	312.414	1.488	50	20	DDGD	
O=C(CN1CCOC1=O)NNc1cccc(C(F)(F)F)c1	821144384	UIYDZUFKGHZNMG-UHFFFAOYSA-N	303.240	1.601	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@](C)(O)COC)cc1	490663917	MMIPBKVLVTWMFS-RKCSUWQLSA-N	318.373	1.506	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@H](c1ccccc1)N1CCSCC1	823964730	DVTMJGAWORJSGR-HIFRSBDPSA-N	323.462	1.120	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCN(C)C(=O)OC(C)(C)C	491178028	AULOOQAGLPVWCH-UHFFFAOYSA-N	316.402	1.230	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1cccc(N2CCOC2=O)c1	495193429	WCQWLCZGCAIIOV-UHFFFAOYSA-N	318.333	1.596	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2ccc3c(c2)OCO3)CC=CCC1	822192168	BRQGKEOMRIUJSB-MRXNPFEDSA-N	302.330	1.923	50	20	DDGD	
CN(NS(=O)(=O)CC1(CC#N)CC1)C(=O)OC(C)(C)C	496973280	JIRWHHIUIOHWKZ-UHFFFAOYSA-N	303.384	1.382	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1	728608141	ODUCBSNHFWTWAK-LBPRGKRZSA-N	323.437	1.751	50	20	DDGD	
C[C@@H]1CCC[C@]1(C)C(=O)NNC(=O)[C@H]1COc2ccccc2O1	822192387	LASAZWWOQUKWDH-ZLENFMNRSA-N	318.373	1.800	50	20	DDGD	
CCCNC(=O)/C(C#N)=C\c1ccc(-c2nn[nH]n2)cc1F	821114469	SZENAHXEJMYNJS-WDZFZDKYSA-N	300.297	1.439	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)NOCC2CCC2)c1	824081302	FPVKVIXHUYVEKO-UHFFFAOYSA-N	313.379	1.448	50	20	DDGD	
CC(C)(C)c1nc(CC(=O)NNC(=O)NCC2CC2)cs1	726770590	YWEYMFJMKLEZNL-UHFFFAOYSA-N	310.423	1.724	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)O1	825182409	IUXNQUOALQTVJF-RYUDHWBXSA-N	302.338	1.267	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC=C(c2ccc(F)cc2)CC1	827304308	XZEGXTSZKOXOPS-UHFFFAOYSA-N	319.380	1.718	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCc1ccc2c(c1)CCO2	726272073	CZOTZAPBVJONKJ-UHFFFAOYSA-N	317.267	1.404	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)NCC1CCC1	729498020	VTPSSCXPQBWZCR-UHFFFAOYSA-N	300.362	1.772	50	20	DDGD	
CSc1cc(Cl)ccc1NC(=O)NNC(=O)CN(C)C	824300538	YFGPLARWHFMYHV-UHFFFAOYSA-N	316.814	1.776	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1cccc(N2CCCC2)c1	826667143	MWYLZAMPBAMKSG-UHFFFAOYSA-N	313.361	1.014	50	20	DDGD	
CC(C)[C@@H]1c2ccccc2CCN1C(=O)c1ccc(B(O)O)cc1	584959011	AVVJLQIWVNETGO-GOSISDBHSA-N	323.201	1.762	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cccc(OC)c1	726076481	UAMPXESSGMFVFS-UHFFFAOYSA-N	311.407	1.183	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1c(CC)cc(C)cc1CC	496435075	NLDGAXMYQWEKTE-UHFFFAOYSA-N	321.377	1.836	50	20	DDGD	
CCC[C@H](NCc1ccccc1B(O)O)c1nnc2ccccn12	585032368	GDCKYZNUCCGLLB-HNNXBMFYSA-N	324.193	1.040	50	20	DDGD	
Cc1ncc(C=NNC(=O)CCNC(=O)OC(C)(C)C)s1	495090351	XJIVWZRZEZAQTC-UHFFFAOYSA-N	312.395	1.816	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2ccc(C#N)cc2)C[C@@H]1Br	906458956	IBLISCJHMBODLL-GXFFZTMASA-N	322.162	1.493	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCCCNC(=O)OC(C)(C)C	823934101	BSDXCWGESHUPDC-LLVKDONJSA-N	303.403	1.025	50	20	DDGD	
COC(=O)NNC(=O)c1cccc(CSc2nccn2C)c1	495326893	SJEQLQDNJMZMNV-UHFFFAOYSA-N	320.374	1.713	50	20	DDGD	
C#CCN(CC(=O)NNC(=O)c1ccccc1)C1CCCCC1	490924464	PKHVDXCQHSLAGO-UHFFFAOYSA-N	313.401	1.716	50	20	DDGD	
CC[C@@H](C)[C@H](NNC(=O)c1cccc(N(C)C)c1)C(=O)OC	905746850	FNLREJCFODEWBL-RISCZKNCSA-N	307.394	1.575	50	20	DDGD	
O=C(CSC(F)(F)F)NNc1cccc(-c2nn[nH]n2)c1	826419659	GUNPQFKYONTDJU-UHFFFAOYSA-N	318.284	1.563	50	20	DDGD	
Cc1nnc([C@H](C)NC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)o1	490725792	KWBSWTHTSZANOU-DHIBQTOVSA-N	324.344	1.681	50	20	DDGD	
COC[C@@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)c1ccc(C)o1	491044209	BNWPZOATWIPTQD-YGLIYXGISA-N	314.345	1.732	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)Cc1csc(-c2cccnc2)n1	823982549	AJUSJVPMCKMJIG-JTQLQIEISA-N	306.391	1.091	50	20	DDGD	
CC(=NNC(=O)c1ccc(CO)o1)c1cnn(CC2CCC2)c1	901269244	IDGRETFESIJDPI-UHFFFAOYSA-N	316.361	1.923	50	20	DDGD	
O=C(O)NCCC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	739938222	OUUKCIJMYWUQME-UHFFFAOYSA-N	323.393	1.398	50	20	DDGD	
Cc1ccccc1C[C@H](CO)NC(=O)/C(C#N)=C\c1cnn(C)c1	491135146	SLSKEVSAVUDILB-BOVGMKJQSA-N	324.384	1.355	50	20	DDGD	
O=C(C[C@@H]1CC(=O)N1)NNc1ccccc1OC(F)(F)F	832517286	HMAWWZFQLSFOEV-ZETCQYMHSA-N	303.240	1.307	50	20	DDGD	
O=S(=O)(CCl)NC[C@@H](O)c1ccc(Cl)c(F)c1	830981062	OBZASASDKZKYKR-SECBINFHSA-N	302.154	1.628	50	20	DDGD	
OB(O)c1cccc(CNc2ccc(O[C@H]3CCOC3)cc2)c1	585011881	GKIPOHHOXWBEGC-KRWDZBQOSA-N	313.162	1.146	50	20	DDGD	
COc1ccc(Br)c(NNC(=O)CN(C)C)c1	839907245	NESFFULSCXOYQI-UHFFFAOYSA-N	302.172	1.462	50	20	DDGD	
O=C(NNc1nccc2sccc12)C1(C(=O)NC2CC2)CC1	734247839	DALRHCFWNRBYNE-UHFFFAOYSA-N	316.386	1.798	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H](CC)CC(C)C	830190790	PTSBNLMODWGPKY-GFCCVEGCSA-N	302.415	1.995	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCCCO[C@H]2CCCCO2)cn1	834833163	WVGUQHAGJKOBGL-HNRFISLBSA-N	318.377	1.377	50	20	DDGD	
COc1cc(C#N)ccc1NC(=O)NNC(=O)[C@@H]1CCCCO1	836519745	HWHDYTPCBYQLMY-LBPRGKRZSA-N	318.333	1.289	50	20	DDGD	
CC(C)OC1(CNCc2ccccc2B(O)O)CCCCC1	585028721	PJXSCOMLTCGZEU-UHFFFAOYSA-N	305.227	1.584	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc(OCC(=O)O)cc1	833421773	CLVVKRFOCPUMQT-UHFFFAOYSA-N	309.322	1.349	50	20	DDGD	
O=C(Cc1cc2ccccc2o1)NNC(=O)[C@H]1CCCCO1	833778574	FTHNEIOAJSYQGS-CQSZACIVSA-N	302.330	1.692	50	20	DDGD	
CC1(C)COc2ccc(C(=O)NNC(=O)[C@H]3CCCCO3)cc21	833236212	PWBCEARCBNFJFS-CQSZACIVSA-N	318.373	1.687	50	20	DDGD	
COC(=O)c1ccc(C(=O)COC(=O)/C(C#N)=C/C2CC2)o1	837689149	XDJYOEFDOWIYOS-UXBLZVDNSA-N	303.270	1.652	50	20	DDGD	
CCOCC(=O)NN=C(C)CS(=O)(=O)c1ccc(C)cc1	734299803	UXOHUWNKRCNJTD-UHFFFAOYSA-N	312.391	1.297	50	20	DDGD	
NC(=O)C(=O)NN=CC1=Cc2cc(Cl)cc(Cl)c2OC1	915270182	QVNAZOYSOCBREQ-UHFFFAOYSA-N	314.128	1.357	50	20	DDGD	
CO[C@H](c1ccccc1F)[C@H](C)NCc1cccc(B(O)O)c1	585033043	VWPXECBBOVCVTG-SJCJKPOMSA-N	317.169	1.371	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCCc1cccc(C(=O)O)c1	833443059	OIHJKTYBQMOOCJ-UHFFFAOYSA-N	323.349	1.666	50	20	DDGD	
CCCCC[C@H](O)C(=O)NNc1ccc(C(=O)OC)c(F)c1	837054083	TZYYGUOOKKBMHO-ZDUSSCGKSA-N	312.341	1.997	50	20	DDGD	
C=COc1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)cc1	839510988	QVOWVGBRDCCOGH-UHFFFAOYSA-N	305.334	1.341	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NNC(=O)C=C2CCCC2)c1	917665222	LTEBNEKXIJQFAX-UHFFFAOYSA-N	322.386	1.352	50	20	DDGD	
O=C(CCCn1cnc2ccccc21)NNC(=O)c1ccccn1	916093278	LFZFDKGHJGUHFS-UHFFFAOYSA-N	323.356	1.673	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H](C)C[C@H](C)N)cc1C	831197766	TZNXMAHEHQBNLM-STQMWFEESA-N	322.409	1.138	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)sc1C	913209013	RQLDZARECJCZAL-SNVBAGLBSA-N	309.391	1.049	50	20	DDGD	
O=C(NNC(=O)c1cccc2ccccc12)N[C@@H]1CCCNC1	841941288	KZXQCAIXEVOOQF-CYBMUJFWSA-N	312.373	1.536	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1C(=O)Nc2c(C)cccc21	740764119	ZYNRUWCZLZFZSU-UHFFFAOYSA-N	316.361	1.072	50	20	DDGD	
CS[C@@H](C(=O)NNc1nccn(C)c1=O)c1ccccc1	747941976	IHUGGIANNLMDPV-LLVKDONJSA-N	304.375	1.328	50	20	DDGD	
CC1(C)[C@H]2OCCC[C@H]2[C@H]1NC(=O)NNC(=O)CC(F)(F)F	745860777	ZZHLMSHGCYWQLP-SFGNSQDASA-N	323.315	1.473	50	20	DDGD	
CO[C@@H](CC(=O)NNc1cc(Cl)nc(C)n1)C(F)(F)F	846264359	YUZIFDDQPQOPJA-LURJTMIESA-N	312.679	1.849	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cncc(Br)c1	842562687	RMFLHOKYZXNCPR-GZMMTYOYSA-N	312.167	1.719	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1ccc(Cl)cc1	916362800	OVGXHOZZWCDNEZ-GFCCVEGCSA-N	309.797	1.758	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cccc(C3CC3)c2)n1	847289536	GAZFOCXOGZNBTN-UHFFFAOYSA-N	312.373	1.839	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)CCCN)c1	841081211	YNDOCDHKGBZTBS-UHFFFAOYSA-N	300.746	1.240	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1C(C)(C)C1(C)C	746564884	MIMZPFXBPQPKCA-SNVBAGLBSA-N	300.424	1.595	50	20	DDGD	
CC[C@@H](C)n1ncc(NC(=O)NNC(=O)CCCN)c1C1CC1	841164703	LLVHJIMUAYHHDS-SNVBAGLBSA-N	322.413	1.623	50	20	DDGD	
CCC(CC)(CO)C(=O)NNc1nnc(-c2ccccn2)s1	847879580	ZIOVXZLEMZVDSO-UHFFFAOYSA-N	321.406	1.842	50	20	DDGD	
Cc1ncc2c(n1)CC[C@H](NC(=O)NNC(=O)CC(C)C)C2	916318795	YVBKWGAXYPMJDU-LBPRGKRZSA-N	305.382	1.019	50	20	DDGD	
COc1ccc(NNC(=O)NCC[C@H]2CCCN(C)C2)nc1	841589194	HIIUSDGIJONGOW-GFCCVEGCSA-N	307.398	1.448	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)NCCC(F)(F)F	743700770	KOMZJBOKDBSGHP-UHFFFAOYSA-N	321.255	1.054	50	20	DDGD	
COc1cccc(NC(=S)NNC(=O)c2ncccn2)c1	743301152	UJKZYGAHMLFFBF-UHFFFAOYSA-N	303.347	1.117	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(C)CC2CCCC2)c1	744395045	PDTYJGFWOIOEGQ-UHFFFAOYSA-N	303.406	1.878	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=C[C@H](OC)[C@@H]1CCOC1	841606149	AILKUPFASDAXMP-ZBFHGGJFSA-N	320.389	1.781	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCCc2cccc(F)c21	744385449	LMUPCNJTWXCOND-UHFFFAOYSA-N	307.369	1.772	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1ccc(S(N)(=O)=O)s1	848081393	WJLRFZXRUSBSMX-UHFFFAOYSA-N	317.219	1.271	50	20	DDGD	
CCc1noc(CCCC(=O)NNc2cc(Cl)nc(C)n2)n1	748333154	BSFCLRDENWXPQM-UHFFFAOYSA-N	324.772	1.850	50	20	DDGD	
C[C@H](Cc1cnc[nH]1)C(=O)NNc1ccc(S(C)(=O)=O)cc1	847602084	RJMWMFKEYOUIRA-SNVBAGLBSA-N	322.390	1.135	50	20	DDGD	
CCN(C)C(=O)CNC(=O)NNc1c(F)cc(F)cc1F	922057569	KPGIZHCWGICJSO-UHFFFAOYSA-N	304.272	1.208	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(F)c(F)c(F)c1	843643746	AGGGBSJJSSASHZ-XPUUQOCRSA-N	302.252	1.290	50	20	DDGD	
CC(C)c1cccc(OCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	843648559	XZDXZIWXSVCTGN-SWLSCSKDSA-N	320.389	1.761	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1ccccc1C(=O)O	757460017	LOINMLCBKUITET-UHFFFAOYSA-N	300.318	1.499	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cn(CC)nc2C)cc1	858142708	KDRLJHOHVQVLIO-UHFFFAOYSA-N	300.362	1.849	50	20	DDGD	
O=C(NCCO[C@@H]1CCOC1)NNc1ccc(F)c(F)c1	927525327	HPZYIPWYCPZYFV-SNVBAGLBSA-N	301.293	1.396	50	20	DDGD	
Cn1c(=O)oc2cc(C=NNC(=O)c3ccc(N)cc3)ccc21	754895933	TUKFPOXGHZPECE-UHFFFAOYSA-N	310.313	1.478	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(NC(C)=O)ccc1Cl	854923547	ZQECHZXSXAFDAN-UHFFFAOYSA-N	314.798	1.379	50	20	DDGD	
CC(C)S(=O)(=O)CC(=O)NNc1ccc(C#N)c(Cl)c1	753315717	JLIXLLCQVKEDGW-UHFFFAOYSA-N	315.782	1.478	50	20	DDGD	
CN1C(=O)CC[C@H]1C(=O)NNc1cccc(C(F)(F)F)n1	753422170	HRZRXIPTNDNEPT-ZETCQYMHSA-N	302.256	1.164	50	20	DDGD	
O=C(NN=Cc1cc2ccncc2s1)[C@@H]1CCS(=O)(=O)C1	853285472	VWXPEKRDKOEWFM-SNVBAGLBSA-N	323.399	1.181	50	20	DDGD	
CC(Cc1ccsc1)=NNC(=O)C(=O)Nc1ccccn1	758387160	GYVZQUZDTRXAOS-UHFFFAOYSA-N	302.359	1.816	50	20	DDGD	
O=C(COC(=O)C(C1CC1)C1CC1)NNC(=O)c1ccccc1	753520224	LMTPCHSDNWGMLQ-UHFFFAOYSA-N	316.357	1.427	50	20	DDGD	
Cc1ccc(F)c(C=NNC(=O)C(=O)Nc2ccccn2)c1	758379651	DFXUDWRNHVPSRN-UHFFFAOYSA-N	300.293	1.618	50	20	DDGD	
C=CCCSCCNC(=O)NNC(=O)Cc1cccnc1	852058329	DTHMYVSCMUCKSO-UHFFFAOYSA-N	308.407	1.264	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)C(=O)Nc1ccccn1)C(C)(C)C	758783991	CABKDNOACVXSIT-SNVBAGLBSA-N	321.381	1.033	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2ccc(CC(=O)O)cc2)CC1	926528948	AMBPPLZAOCAIKG-UHFFFAOYSA-N	306.343	1.158	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)Cc2ccc(C)o2)c1	753887870	PUIWWOVUNVIDTQ-UHFFFAOYSA-N	316.357	1.974	50	20	DDGD	
C#CCCN(CCOC)C(=O)NC[C@]1(C)C[C@@H]1Br	856961428	ZLJLIRIRMRDWDN-AAEUAGOBSA-N	317.227	1.841	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2(O)CCCCC2)c1C	855625879	LXTCWRFHDVLTSY-UHFFFAOYSA-N	306.362	1.920	50	20	DDGD	
CSc1cccc(C(=O)NNC(=S)NCC2CCC2)n1	855092732	PAGCOAWKQPVPJK-UHFFFAOYSA-N	310.448	1.713	50	20	DDGD	
C[C@@H]1OCCC1=NNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C	853371540	CSDLGBVQRMHGTC-DMDPSCGWSA-N	306.366	1.169	50	20	DDGD	
Cc1nc(C=NNC(=O)CCNC(=O)OC(C)(C)C)[nH]c1C	853329453	ABBNGYQMWZHEKH-UHFFFAOYSA-N	309.370	1.391	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(Br)cs1	854925167	DTIALXXMVPFFFA-UHFFFAOYSA-N	308.226	1.592	50	20	DDGD	
CNc1nnc(CC(=O)NNc2ccc([N+](=O)[O-])cc2)s1	759974617	CDRQHPPPLAJULO-UHFFFAOYSA-N	308.323	1.174	50	20	DDGD	
O=C(NN=Cc1ccc(-n2cncn2)c(F)c1)c1ccncc1	863950564	BSZQPUBVMJRZNJ-UHFFFAOYSA-N	310.292	1.565	50	20	DDGD	
CC(C)(C)OC(=O)NC(C)(C)C(=O)NNc1ncc(F)cn1	760911317	FMWCQJWNIUUBKO-UHFFFAOYSA-N	313.333	1.362	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1c(C)cccc1Cl	869903972	MVTDZWJWPRUTKP-UHFFFAOYSA-N	300.742	1.072	50	20	DDGD	
CCOC(=O)N1CSC[C@H]1C(=O)N(C)CC(Cl)Cl	936000388	LDMHCCZFRRKVJF-ZETCQYMHSA-N	315.222	1.780	50	20	DDGD	
C[C@H](OCC1CC1)C(=O)NNC(=O)CSc1ccccc1O	764046974	DPTLIRPOCLJLNK-JTQLQIEISA-N	324.402	1.447	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)nc1	860445957	JLURWKQKWMYWLT-DNJQJEMRSA-N	307.350	1.371	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)C2CSC2)o1	865002981	IQTOYSSWDRGQNY-UHFFFAOYSA-N	311.407	1.245	50	20	DDGD	
COCCOc1ccc(C=NNC(=O)c2cc(C)[nH]n2)cc1	764794889	JUGOKPZCVCIBID-UHFFFAOYSA-N	302.334	1.507	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCCN2CC(F)F)cn1	862697820	XHYSBEKNYTZSNT-XLVZXTRVSA-N	323.347	1.173	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1ccc2nn[nH]c2c1	863091045	LKCYPROAOQZJFI-UHFFFAOYSA-N	309.198	1.390	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(F)c(NC(=O)OC)c1	935290643	CPHFJOSDFCFCLN-UHFFFAOYSA-N	312.301	1.310	50	20	DDGD	
COCCOCC(=O)NNC(=O)CC(C1CCC1)C1CCC1	869900999	LKQZBXLXIFEQHH-UHFFFAOYSA-N	312.410	1.403	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(S)n1)c1sccc1O	769778692	VPMQXNQIUHXOAT-UHFFFAOYSA-N	324.387	1.321	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)c2ccccc2F)c(C2CC2)n1	864444468	CQCKBVJYQGPXPG-UHFFFAOYSA-N	316.336	1.994	50	20	DDGD	
Cc1ccc(CO[C@H](C)C(=O)NNC(=O)c2cc(C)[nH]n2)cc1	860480655	VBSJNYYUVCNPTL-GFCCVEGCSA-N	316.361	1.393	50	20	DDGD	
CCn1cc(C(=O)NNc2ccc(C(=O)OC)cn2)c(C)n1	860446544	UHFIHMGBRSZRLO-UHFFFAOYSA-N	303.322	1.150	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CCC(=O)N1)c1ccc(N(C)C)cc1	863149310	WZKAMHLJAOEQEN-CQSZACIVSA-N	302.378	1.262	50	20	DDGD	
CC(=O)Nc1ccccc1CC(=O)NNC(=O)CC(F)(F)F	768204374	GTFUQBAWKROXGY-UHFFFAOYSA-N	317.267	1.287	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1CCN(C)c2ccccc21	764481504	HLMMHYGMKWOBAQ-GFCCVEGCSA-N	313.361	1.552	50	20	DDGD	
CC(=O)NNC(=O)c1ccccc1N(C)C(=O)c1ccco1	765989706	HIKSCNKRVFLOSG-UHFFFAOYSA-N	301.302	1.337	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CCCOCC=C)c1	874949967	JXMNWCBSGLKZCE-UHFFFAOYSA-N	317.414	1.968	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1nc2ccccc2[nH]1)C1CCCC1	870213255	WZGUMLANPGMUHJ-AWEZNQCLSA-N	315.377	1.701	50	20	DDGD	
COC(=O)NNC(=O)c1cc2nc(C)cc(C(F)(F)F)n2n1	878000599	ZJTPGSCVCUBGBJ-UHFFFAOYSA-N	317.227	1.057	50	20	DDGD	
CN1CC[C@@H](C(=O)NNC(=O)c2ccc3ccccc3c2)C1=O	772238735	VRQUTEDWSCEEQV-AWEZNQCLSA-N	311.341	1.079	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C1(CN(C)C)CC1)c1ccccc1	874454734	KXFDQOAOPOHVIN-CQSZACIVSA-N	303.406	1.669	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H](C)CN2CCC[C@H](C)C2)cc[nH]1	875144523	QIZKQZMBQUFYMJ-JSGCOSHPSA-N	305.426	1.558	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)NNc1ccccc1OC(F)(F)F	779207330	RPZPTMHQXKLDGZ-UHFFFAOYSA-N	319.283	1.943	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc(OC(C)C)nc1	872339919	DVXGLDGPCRZINV-JTQLQIEISA-N	315.395	1.224	50	20	DDGD	
COC1CC(C(=O)NNC(=S)Nc2ccc(N(C)C)cc2)C1	874954255	TWEJRXZFYRTJBT-UHFFFAOYSA-N	322.434	1.495	50	20	DDGD	
CC(C)Oc1ncccc1C(=O)NNc1nncc(N)c1Cl	1117441539	RYAAWQUQOCIOSR-UHFFFAOYSA-N	322.756	1.651	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)CC(F)(F)F)c1ccccc1	776120073	RDSJXWWQTUAEFM-LBPRGKRZSA-N	304.268	1.648	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CCn1cc([N+](=O)[O-])cn1	772860552	OHFYLDXJLYHXOU-UHFFFAOYSA-N	319.325	1.238	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc(OC)c(C(C)(C)C)c1	872363678	MFFWXGMLELSXCE-UHFFFAOYSA-N	321.377	1.799	50	20	DDGD	
CCCn1cc(C=NNC(=O)Nc2ccc(OC)cc2)nn1	872378966	LRJVVYMSUDGYFR-UHFFFAOYSA-N	302.338	1.852	50	20	DDGD	
C[C@@H](CBr)CN1CCN(CC[S@@](C)=O)CC1	770667647	RFVIAJZEGQLOCJ-MEDUHNTESA-N	311.289	1.014	50	20	DDGD	
O=C(NNc1ccccn1)[C@@H]1CCN(c2ccc(F)cc2)C1=O	777473309	BRODLUUJCOJIKM-ZDUSSCGKSA-N	314.320	1.717	50	20	DDGD	
C=Cn1cc(C=NNC(=O)c2ccc(OC)c(OC)c2)cn1	772994964	AREFLEHDIJMWCM-UHFFFAOYSA-N	300.318	1.765	50	20	DDGD	
Cc1ccnc(C2CCN(S(=O)(=O)CCCCl)CC2)n1	882063356	OKSGYCJRHPBCLM-UHFFFAOYSA-N	317.842	1.923	50	20	DDGD	
CCc1cccc(OCC(=O)NNC(=O)C2CCOCC2)c1	883058797	BVRQDGIPKIXDBJ-UHFFFAOYSA-N	306.362	1.202	50	20	DDGD	
C[C@H](Oc1cccc(OS(=O)(=O)CCCCl)c1)C(N)=O	882022334	FPRJQWRWOKOQLA-VIFPVBQESA-N	321.782	1.277	50	20	DDGD	
O=C(NCCCCC1CCCC1)NNC(=O)c1cccnn1	883479767	IHEWVLUOCZYMJT-UHFFFAOYSA-N	305.382	1.781	50	20	DDGD	
CC[C@H]1C[C@@H](C(=O)NNC(=S)NCCSC)CCO1	779947195	JMEJQWHVVHUFFU-UWVGGRQHSA-N	305.469	1.050	50	20	DDGD	
O=C(NCC1CCC(F)(F)CC1)NNC(=O)c1cccnn1	883628659	SZJCYCJENFDXOH-UHFFFAOYSA-N	313.308	1.246	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)C1CCOCC1)c1ccccc1	883128638	PCYWOYGLHASOBH-UHFFFAOYSA-N	319.405	1.721	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNC(=O)C1CCCC1)c1ccnn1C	788319810	OXIBUBKDYYSMLZ-ZDUSSCGKSA-N	321.425	1.680	50	20	DDGD	
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1nccnc1C	783521715	ZFTMQVKEJLMFJJ-UHFFFAOYSA-N	315.289	1.553	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)Cc2cc(O)nc(S)n2)[C@@H](C)C1	783822822	XQRNGOHVRXITPM-IUCAKERBSA-N	308.407	1.942	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2ccccc2C(N)=O)cs1	788702033	BYPDQHRNFVDUET-UHFFFAOYSA-N	302.359	1.243	50	20	DDGD	
COCCn1cc(C(=O)NNC(=O)c2ccccc2F)c(C)n1	782537335	GNTKHSCCMMOCGW-UHFFFAOYSA-N	320.324	1.052	50	20	DDGD	
C#CCCCCCC(=O)NNc1ncc(C(=O)OCC)c(C)n1	780744490	YURRKSMVYYOOPR-UHFFFAOYSA-N	318.377	1.989	50	20	DDGD	
COCCn1cc(C(=O)NNC(=O)CC2CCCC2)c(C)n1	782854881	WBQRPEJBXIEZLL-UHFFFAOYSA-N	308.382	1.179	50	20	DDGD	
O=C(CNc1ccccc1)NN=C1CCOC2(CCOCC2)C1	884378784	DMJTWKYRNZDMQD-UHFFFAOYSA-N	317.389	1.930	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1c[nH]nc1-c1ccsc1	781909330	OZXOMRSYEZEMAY-UHFFFAOYSA-N	318.280	1.852	50	20	DDGD	
COCCOc1ccc(F)cc1NC(=O)NNC(=O)C(C)C	782568502	ZLECNPPNUOMUJZ-UHFFFAOYSA-N	313.329	1.660	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@H]1CO[C@@H](C)C1	784145212	OBZNILGKQDBBTQ-DTWKUNHWSA-N	312.753	1.535	50	20	DDGD	
C[C@H](Oc1ccc(C=NNC(=O)c2cnn(C)c2)cc1)C(=O)O	794908717	MTGARMYLFUEHHD-JTQLQIEISA-N	316.317	1.036	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)[C@@H]1CCC(F)(F)C1	794865516	ORCKXADYYAKPTN-SECBINFHSA-N	316.279	1.787	50	20	DDGD	
CCOc1cc(C=NNC(=O)N2CCN(C)CC2)ccc1OC	790176006	LHHODTAWIJEFQQ-UHFFFAOYSA-N	320.393	1.385	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@H](OC)[C@@H](C)CC)nc1C	793784087	VDLBPZMHTMQLNW-JOYOIKCWSA-N	324.381	1.466	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C[C@H](CC#N)c2ccccc2)cn1	793523695	BBNJNRZVWLRVNI-ZDUSSCGKSA-N	311.345	1.269	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1ccc(C#N)cc1F	792379674	LVMNWPOETDILAH-UHFFFAOYSA-N	313.292	1.483	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(Cl)o1	790063182	FMYASAPQOJZCQI-UHFFFAOYSA-N	304.730	1.483	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Cc1cnn(C)c1C)c1ccccc1	794320260	LMZVJNOSGSUNNY-OAHLLOKOSA-N	314.389	1.612	50	20	DDGD	
CC[C@@H](C)CC[C@@H](O)CC(=O)NNC(=O)Cc1ccncc1	793600259	BNNKBSBKLWDXGF-TZMCWYRMSA-N	307.394	1.349	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc(F)c3ccccc23)cn1	795111667	SPEQKTLDWDIHJB-UHFFFAOYSA-N	312.304	1.787	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNC(=O)c2ccccc2F)nn1	790110046	CFVIMFSYFXCWCY-UHFFFAOYSA-N	305.313	1.247	50	20	DDGD	
Cc1cc[nH]c1C(=O)NNC(=O)c1ccc2c(c1)OCCO2	797804335	DQUJCVKPGSQCIF-UHFFFAOYSA-N	301.302	1.169	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCCC2CCOCC2)c1	1318490402	IPQMHSMNFGXPNX-UHFFFAOYSA-N	316.361	1.319	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ncoc2[C@H]2CCCO2)n1	1319024546	PHBRFRPITUUDCA-SECBINFHSA-N	318.337	1.139	50	20	DDGD	
Cc1noc(C)c1NC(=O)C(=O)NNc1cccc(Cl)n1	1324301801	ZSDCFQDNMZQIMV-UHFFFAOYSA-N	309.713	1.422	50	20	DDGD	
CCCC(=O)N1CCCC[C@@H]1C(=O)NNC(=S)NC(C)C	1322553945	TUGIUYQXKPFOCX-LLVKDONJSA-N	314.455	1.071	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)c1ccccc1Cl)C1CC1	1320039799	JURRBZXQTADDEW-GFCCVEGCSA-N	311.769	1.709	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H]2CC23CCS(=O)(=O)CC3)cc1	1323725047	UOONFICREILWSS-CYBMUJFWSA-N	319.386	1.216	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1nccc(Cl)c1F	1255335232	LCFKXAZTMVGKQJ-UHFFFAOYSA-N	323.711	1.958	50	20	DDGD	
Cc1n[nH]c(C)c1C[C@H](C)C(=O)NNC(=O)NCc1ccco1	1339771209	IPVHKPKATMOCTR-VIFPVBQESA-N	319.365	1.329	50	20	DDGD	
Cc1c(NNC(=O)C2CN(CC(F)F)C2)cccc1C(=O)O	1600052702	QANFOLFFVVTWDW-UHFFFAOYSA-N	313.304	1.333	50	20	DDGD	
O=C(NC[C@H]1CCCNC1)NNc1cccc(C(=O)O)c1F	1608434828	OLTDOMVXMRLODU-VIFPVBQESA-N	310.329	1.150	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1cc(C(=O)O)on1	1601561189	UGEXOSAPFDTCES-UHFFFAOYSA-N	310.197	1.177	50	20	DDGD	
O=C(C[C@H]1COC(=O)C1)NNc1ccc(C(=O)O)c(Cl)c1	1608296025	AGTRFYYQGDKIGW-SSDOTTSWSA-N	312.709	1.435	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cc(F)cc([N+](=O)[O-])c2)nc1	1608904500	VYTRUKWAKGIYDM-UHFFFAOYSA-N	320.236	1.584	50	20	DDGD	
Cn1cc(Cl)cc1C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1606242041	GYTKXECFSMFBGV-UHFFFAOYSA-N	318.728	1.011	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cc(F)cnc2O)cc1F	1602383647	VLNXBFAINUGNMI-UHFFFAOYSA-N	309.228	1.521	50	20	DDGD	
C[C@](CO)(NC(=O)CCCC[C@H]1CCSS1)C(=O)O	1604190393	HAMQCVPBMBTZPF-JOYOIKCWSA-N	307.437	1.652	50	20	DDGD	
C[C@](O)(CC(=O)NNc1ncccc1C(=O)O)c1ccccc1	1603256065	DAJRZHQIUKTFKA-INIZCTEOSA-N	315.329	1.521	50	20	DDGD	
Cc1c(NNC(=O)c2cc3c([nH]2)CCOC3)cccc1C(=O)O	1600054303	SGYODRSCDAPBBF-UHFFFAOYSA-N	315.329	1.851	50	20	DDGD	
Nc1cc(C(=O)NNc2ccccc2C(=O)O)cc(Cl)n1	1608271923	FCBUSTJSDUNFFW-UHFFFAOYSA-N	306.709	1.772	50	20	DDGD	
O=C(O)[C@H](NNC(=O)C(F)(F)Oc1ccccc1)C1CC1	1610718880	HFHUOFWEOHMGSK-SNVBAGLBSA-N	300.261	1.142	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C(=O)NN=Cc1ccncc1	1549309201	LOTCYZDWONGERZ-UONOGXRCSA-N	313.361	1.433	50	20	DDGD	
CCn1cc([C@H]2OCC[C@@H]2C=NNC(=O)c2ccncc2)cn1	1552448166	QNYYABFUCIFENK-HIFRSBDPSA-N	313.361	1.791	50	20	DDGD	
CNCCc1ccccc1C(=O)NNC(=O)c1cccc(C)n1	1578716291	KHRQFJZCVNIQGS-UHFFFAOYSA-N	312.373	1.227	50	20	DDGD	
CC(C)CNCC(=O)NNC(=S)Nc1cccc(Cl)c1	1575606167	KDDUAIMUXSBWGK-UHFFFAOYSA-N	314.842	1.903	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cccc(Cl)c1)n1cc(N)cn1	1575092206	HKFJTRKISYEHCT-UHFFFAOYSA-N	321.768	1.315	50	20	DDGD	
C[C@H](C(=O)NNc1ccccc1C(=O)O)N1CCSCC1	1589424698	ZSRZRGPGRBTKJK-SNVBAGLBSA-N	309.391	1.265	50	20	DDGD	
CC[C@H](C)[C@H](N)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843362920	KKKNQITTZUDZPU-DCAQKATOSA-N	319.808	1.098	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C2(C3CC3)CC2)o1	1589773662	ICPJJRSNBHLXBH-UHFFFAOYSA-N	317.353	1.611	50	20	DDGD	
O=C(C[C@]12CCCC[C@@H]1C2(F)F)NNC(=O)C1CCNCC1	1580515409	NWAFIVZTMRCALR-SMDDNHRTSA-N	315.364	1.349	50	20	DDGD	
C/C=C/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843365768	IQXCZELVRQEOHK-MWVSDSDQSA-N	300.761	1.857	50	20	DDGD	
O=C(O)C1(C(=O)NNc2cccc(Br)n2)CCC1	1594867090	IJDCXQXMZMTRRB-UHFFFAOYSA-N	314.139	1.542	50	20	DDGD	
N#C/C(=C/c1cccc(-c2nn[nH]n2)n1)C(=O)NC1CCCC1	1592662744	VXSZPXOYUJRLKM-NTMALXAHSA-N	309.333	1.227	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1nc2c(s1)CC[C@H](C(=O)O)C2	1596509175	CDHIFLCZUDXXOZ-INTFFVIUSA-N	321.358	1.715	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1C[C@H](C(=O)O)Oc2ccccc21	1596864301	UVEXGIXHNWRZQA-ASCRHOAZSA-N	302.286	1.309	50	20	DDGD	
CCC(=NNC(=O)NC(C)C)c1ccc(-c2nn[nH]n2)cc1	1590359176	RNTMYPKTBIKBGJ-UHFFFAOYSA-N	301.354	1.688	50	20	DDGD	
Cc1c(C(=O)NNc2ccc(C#N)cc2)cccc1-c1nn[nH]n1	1591810052	PAWRODDYOMIIKD-UHFFFAOYSA-N	319.328	1.804	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(C(=O)O)cc1F)c1nccn1C	1593102799	WZFSTCNOPZNKMD-MRVPVSSYSA-N	321.312	1.645	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(-c2nn[nH]n2)cc1OC	1590748958	UZFRMAOCCNHNKX-CSKARUKUSA-N	314.305	1.258	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2cnc3ccccn23)cc1	1776100228	WWKMWOTVRHTABI-UHFFFAOYSA-N	308.297	1.796	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1csc(C(=O)O)c1	1776029425	QICQMKBEQNWHAU-UHFFFAOYSA-N	310.360	1.557	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)c2ccc(C(=O)O)cc2)nn1	1776100325	BSZCVXAHIIOJGB-UHFFFAOYSA-N	301.306	1.321	50	20	DDGD	
N#Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2)cc1	16123771	WBNREZKVOWARNH-UHFFFAOYSA-N	301.327	1.182	50	20	DDGD	
C[C@@H]1CC[C@@H](CC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1	164226228	HMFXHEYSURGMKG-JMSVASOKSA-N	318.373	1.800	50	20	DDGD	
O=C(CNC(=O)NCc1ccc(F)cc1)NNc1ccccc1	151232037	MGKBEMBZYVVEBH-UHFFFAOYSA-N	316.336	1.768	50	20	DDGD	
Cc1onc(-c2ccccn2)c1C(=O)NNC(=O)C(C)(C)C	151953420	FOALEPRKVUZMAF-UHFFFAOYSA-N	302.334	1.852	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCc2ccc(F)cc2F)cn1	152504017	JCPWGGXZTFONFL-UHFFFAOYSA-N	308.288	1.092	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccccc1C(F)(F)F	153232121	YGUKZFXSNUPCME-UHFFFAOYSA-N	304.272	1.420	50	20	DDGD	
CCOC(=O)NNC(=O)c1c[nH]c2c(C)cc(F)cc2c1=O	155076470	OKKPQWFUHQASMO-UHFFFAOYSA-N	307.281	1.367	50	20	DDGD	
COCCN(CCO)S(=O)(=O)c1ccc(CCCl)cc1	158644043	XUUROMYXBQORGU-UHFFFAOYSA-N	321.826	1.097	50	20	DDGD	
COC[C@@H](C)NC(=S)NNC(=O)c1ccc2ccccc2n1	8356465	ABABZWWOHWHOQX-SNVBAGLBSA-N	318.402	1.379	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1	55700325	GMXJWRQBEVSOTQ-UHFFFAOYSA-N	323.352	1.961	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CC1CCOCC1	117134807	BSWSYXJCCPWTJF-UHFFFAOYSA-N	306.362	1.202	50	20	DDGD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NNc1ccc(Cl)nn1	118497126	SZZWZWAHPDQSSV-IUCAKERBSA-N	300.746	1.157	50	20	DDGD	
CCCc1[nH]nc(C(=O)NNC(=O)CC2CCCC2)c1[N+](=O)[O-]	109621337	UOXKENOBZZMXPL-UHFFFAOYSA-N	323.353	1.612	50	20	DDGD	
COc1ccc(CC(=O)NNC(=S)N[C@H](C)C2CC2)cc1	171168722	UHEOHLCGVRFPMW-SNVBAGLBSA-N	307.419	1.532	50	20	DDGD	
COc1ccccc1C(=O)NN[C@@H](C(N)=O)c1ccc(C#N)cc1	115599899	ZZIYXZTVJIDVNU-OAHLLOKOSA-N	324.340	1.028	50	20	DDGD	
C[C@H]1CC[C@H](CCC(=O)NNC(=O)Cc2ccc(F)cc2)O1	175052737	MCXBIRMMPYOHON-SMDDNHRTSA-N	308.353	1.863	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)Cc2ccncc2)cc1	177063009	ROIYMNLEFQQGQL-UHFFFAOYSA-N	300.318	1.486	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F	116562865	WALCMPUABRVGIJ-LDYMZIIASA-N	313.304	1.188	50	20	DDGD	
Cc1cc(F)cc(S(=O)(=O)NNC(=O)c2ccccc2O)c1	176674904	WUMLBELDZLPMST-UHFFFAOYSA-N	324.333	1.463	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2CCCC(C)(C)C2)n1	112701957	UNGZXVUZHGGBRM-UHFFFAOYSA-N	324.450	1.263	50	20	DDGD	
CC(=O)[C@@H](C)SCC(=O)NNC(=O)c1ccc(Cl)cc1	175190800	OHQREZSMNMVRQP-SECBINFHSA-N	314.794	1.812	50	20	DDGD	
NC(=S)c1ccc(C(=O)NNC(=O)NCc2ccco2)cc1	65622884	RBWOEUPHCNDJRR-UHFFFAOYSA-N	318.358	1.058	50	20	DDGD	
CC(C)c1noc(CCNC(=O)NNC(=O)CC(C)(C)C)n1	69119152	CBYCKMORLXVSFZ-UHFFFAOYSA-N	311.386	1.502	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(Cn2cncn2)cc1	64425973	KIOSCMXBCJZJQY-UHFFFAOYSA-N	316.365	1.071	50	20	DDGD	
CCn1c(NNC(=O)c2cc[nH]c2C)nc2ccccc2c1=O	175303436	IPKVVHLYFYTGCN-UHFFFAOYSA-N	311.345	1.810	50	20	DDGD	
O=C(NNC(=S)NCC(F)(F)F)c1cccc([N+](=O)[O-])c1	64081905	KFKODQPXXQLRIA-UHFFFAOYSA-N	322.268	1.266	50	20	DDGD	
C[C@@H](CCc1cccc(F)c1)C(=O)NNC(=O)N1CCOCC1	172906420	XIOIKOFFBHEYHB-LBPRGKRZSA-N	323.368	1.467	50	20	DDGD	
CC(C)Oc1ccccc1NC(=O)NNC(=O)Cc1cc[nH]n1	184030853	LQZZICUHTUFLOQ-UHFFFAOYSA-N	317.349	1.592	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NOCc1cccnc1	127192285	SXNNDSKHWGVDOE-UHFFFAOYSA-N	318.308	1.225	50	20	DDGD	
COC(=O)[C@](C)(NC(=O)/C(C#N)=C\c1ccc(O)cc1)C1CC1	185692580	DHWGAQIKKBEDBD-QJWNTBNXSA-N	314.341	1.757	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)CSCC#N)cc1OC	32682721	KZODVFGTEJQAKF-UHFFFAOYSA-N	323.374	1.112	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(F)nc1	183238160	GSDXOESPSRMFCV-UHFFFAOYSA-N	319.252	1.595	50	20	DDGD	
CC[C@H]1C[C@H](C(=O)NNC(=O)Cc2ccc(F)cc2)CCO1	183432946	UWJGPINGWWGBMF-OCCSQVGLSA-N	308.353	1.721	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)CC(F)(F)F	125547536	AHPHMDDVNHBTNQ-UHFFFAOYSA-N	308.281	1.584	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc([S@@](C)=O)c(F)c1	186172830	WXAKGOLKGOLFJD-HXNGOWOSSA-N	315.370	1.762	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@@](C)(O)c2ccccc2)o1	182579263	YZPYOAUSVOJZDV-MRXNPFEDSA-N	302.330	1.647	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc(F)cc3[nH]cnc23)n1	48316558	PWSJOOYLVOXLQE-UHFFFAOYSA-N	300.297	1.866	50	20	DDGD	
Cc1cc(F)c(C(=O)NNc2ncnc3nc[nH]c23)cc1F	136911956	DLEIODJZTBJHOV-UHFFFAOYSA-N	304.260	1.696	50	20	DDGD	
O=C(NNc1ccc(Br)cc1)[C@@H]1COCCO1	48733420	ROXQCWQRCTWDGA-JTQLQIEISA-N	301.140	1.308	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)CC(=O)N2C	194108903	TYZYQRHFLKWBDJ-SECBINFHSA-N	304.350	1.404	50	20	DDGD	
Cn1c(CNC(=O)NNC(=O)c2ccc[nH]2)nc2ccccc21	193322028	YJJBCESHZPFJQZ-UHFFFAOYSA-N	312.333	1.046	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCCC(=O)OC)c1ccccc1	131175489	ATABACWCYXZJME-ZDUSSCGKSA-N	306.362	1.671	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCCc2nc(C3CC3)no2)o1	84380774	KVYMEMANCWHPOH-UHFFFAOYSA-N	318.333	1.632	50	20	DDGD	
Cn1c(CNC(=O)NNC(=O)c2ccccc2)nc2ccccc21	193320905	MRWHYWHMUZBKRF-UHFFFAOYSA-N	323.356	1.718	50	20	DDGD	
CNC(=O)/C(C#N)=C/c1cc(C)c(OCC(=O)OC)c(C)c1	255122851	NSSVWDCSGBOFIK-NTUHNPAUSA-N	302.330	1.508	50	20	DDGD	
Cn1ccnc1CNC(=O)NNC(=O)C(C)(C)c1ccccc1	264519885	QZTNKVWFMQKYOK-UHFFFAOYSA-N	315.377	1.228	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCc1nccn1C)c1ccccc1	264700854	AKTAZYNBHXFHRW-CYBMUJFWSA-N	315.377	1.444	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](C)[C@H]1CCCNC1	269207148	OELBHVQAYNFZQD-GWCFXTLKSA-N	312.845	1.857	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)C1CCC1)Oc1ccccc1F	266630324	WSMIMJSBIWXLSS-JTQLQIEISA-N	309.341	1.724	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NC2CC2)c(C2CCCCC2)n1	263785764	ORHKBVARSNPJSY-UHFFFAOYSA-N	305.382	1.574	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cncnc2C(C)C)n1	266903649	HRHOIHHBDXCZKB-UHFFFAOYSA-N	302.338	1.464	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@H](C)CCN1CCN(C)CC1	276693256	JUAFAEOHNALYST-CQSZACIVSA-N	320.441	1.042	50	20	DDGD	
Cc1ccc(-c2nnco2)cc1NC(=O)NNC(=O)C1CCC1	272825746	LTQCBWFZNQXVMO-UHFFFAOYSA-N	315.333	1.998	50	20	DDGD	
Cn1ncc(C(=O)NNc2cnc3ccccc3n2)c1C1CC1	274236622	VHQUYNKSFCXBNC-UHFFFAOYSA-N	308.345	1.998	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2C[C@H](OC(C)C)C2(C)C)n1	274558228	WBIDXCCOOSPQRJ-MNOVXSKESA-N	323.397	1.703	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(C)n(C)c1C	271402240	KKCIMXFVTULHAL-UHFFFAOYSA-N	300.453	1.114	50	20	DDGD	
CCc1nn(C)cc1NC(=O)NNc1cc(Cl)nc(N)n1	276541958	DOTPXWRWTGOMKR-UHFFFAOYSA-N	310.749	1.157	50	20	DDGD	
COCCOc1ccc(NC(=O)NNC(=O)C2CC2)c(C)c1	274133266	VXGOHZPCGSSBQT-UHFFFAOYSA-N	307.350	1.583	50	20	DDGD	
COc1ccc(NNC(=O)CCc2c(C)nc(C)nc2O)nc1	275520787	JDDHUKHZZNENGL-UHFFFAOYSA-N	317.349	1.279	50	20	DDGD	
CCc1nn(C)c(Cl)c1C(=O)NNC(=O)NC1CCCC1	271096677	LULSSPLMVZSUGN-UHFFFAOYSA-N	313.789	1.523	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1	378135299	KTXBSKAWTCUNRL-LEWSCRJBSA-N	324.402	1.348	50	20	DDGD	
O=C(NNC(=O)c1occ2c1CCOC2)c1ccccc1O	376158954	XOCFUBOWSBWCNK-UHFFFAOYSA-N	302.286	1.133	50	20	DDGD	
O=C(NNc1cccnn1)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	370568495	LVWLFMGQVYWEPB-XFFJFQIUSA-N	302.256	1.276	50	20	DDGD	
CC(C)(C(=O)NNc1ccc2ccccc2n1)N1CCOCC1	283724393	DPUHGYFWTSCIMH-UHFFFAOYSA-N	314.389	1.789	50	20	DDGD	
CC1=C(C(=O)NNc2cccc(F)c2)[C@@H](C)n2ncnc2N1C	282873811	VABXLFFTYUITFP-SNVBAGLBSA-N	316.340	1.845	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C(C)(C)C1CCOCC1	280774628	SFEREEAVNGYVML-UHFFFAOYSA-N	320.389	1.909	50	20	DDGD	
Cc1nccn1CCCCNC(=O)NNc1cccc(F)n1	287325160	FUMQLJDLLWYRPO-UHFFFAOYSA-N	306.345	1.832	50	20	DDGD	
CC(=O)NNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F	285263726	VLIZKAGUQGWAPU-ZDUSSCGKSA-N	311.332	1.311	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)Cc1ccccc1F	280493835	KIESMMHIYSNFRA-GHMZBOCLSA-N	306.337	1.521	50	20	DDGD	
CCOC(=O)N1CC[C@@H](NC(=O)NNc2cccc(F)n2)C1	286903009	TZSVJSYJCTUGSN-SECBINFHSA-N	311.317	1.078	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](C)CN(C)C(C)C	291098852	KHIMIBAOSXITMM-CYBMUJFWSA-N	306.410	1.668	50	20	DDGD	
O=C(NC[C@@H]1COC2(CCCCC2)O1)NNc1ccncn1	296581686	HXSGMZKPDURHLG-LLVKDONJSA-N	307.354	1.179	50	20	DDGD	
CCCCN(C)C[C@H](C)NC(=O)NNC(=O)c1ccc(C)o1	292067188	SMGZANLHAZGDBT-NSHDSACASA-N	310.398	1.652	50	20	DDGD	
COc1c(F)ccc(F)c1C(=O)NNC(=O)[C@@H]1CCCCO1	295303523	FGFDNVWYWGOGBU-JTQLQIEISA-N	314.288	1.304	50	20	DDGD	
C[C@H](CNC(=O)NNc1ncc(F)cc1F)CN1CCCC1	297493107	WHXDTNMRZSUOBX-SNVBAGLBSA-N	313.352	1.718	50	20	DDGD	
CCC(CC)n1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)n1	802028752	FTOSOBCPSKDBER-UHFFFAOYSA-N	316.365	1.528	50	20	DDGD	
C[C@H](Oc1cccc(F)c1)C(=O)NNC(=O)[C@@H]1CCCCO1	295283660	CVNPAOIBPSJNMN-GWCFXTLKSA-N	310.325	1.310	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1c(OC)cc(OC)cc1OC	298656971	HAEWSNUDLBUOIK-YRNVUSSQSA-N	320.345	1.382	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2CCCSC2)c1	809948933	RXEWXXFFCZLPMV-SNVBAGLBSA-N	324.402	1.608	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@H]1CCn2ccnc2C1	803433004	IOVSYTRZESULIK-LBPRGKRZSA-N	323.356	1.430	50	20	DDGD	
O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)C1CC1	294259778	GFYCOOQRCPJGTO-UHFFFAOYSA-N	305.290	1.115	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)NNc1cccc([N+](=O)[O-])c1C	802830134	KSZMVWQMEKPELW-AWEZNQCLSA-N	320.349	1.747	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1C(=O)NNC(=O)c1ccncc1	298733595	SXYVCSHUZKNWCM-UHFFFAOYSA-N	301.350	1.187	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1CCN(c2ccccc2F)C1	290422093	RUPDLHCGWWPFOQ-LLVKDONJSA-N	308.357	1.345	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc(C(C)(C)C)nn2C)n1	298738036	QOXIYLDTAQOAAM-UHFFFAOYSA-N	302.382	1.881	50	20	DDGD	
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccncn1	295377320	DYFJIQHXJOGVJO-LLVKDONJSA-N	309.370	1.469	50	20	DDGD	
CC(C)[C@H](O)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	293111640	ZWVBUILIZDFTQI-SKDRFNHKSA-N	314.769	1.272	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccnc(OCc2ccccc2)c1	800593875	HJEUYHRRBKFORO-UHFFFAOYSA-N	300.318	1.833	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2c[nH]c(C(=O)O)c2)cc1C	814720325	ICRINXGLODXWIY-UHFFFAOYSA-N	315.329	1.859	50	20	DDGD	
O=Cc1c[nH]c(C(=O)NNC(=O)Cc2ccc(Cl)cc2)c1	814762347	WYMYAPOWMPJOAI-UHFFFAOYSA-N	305.721	1.484	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](O)c2ccc(Cl)cc2)o1	813474796	CSEJPBXYCMLDJA-LBPRGKRZSA-N	308.721	1.736	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CCCC#N)cc1	812447482	MHDZFVIBVKUJAV-LBPRGKRZSA-N	319.361	1.694	50	20	DDGD	
O=C(NNC(=O)c1cccc([C@@H]2CCOC2)c1)c1ccnnc1	817693966	XOSDDFOLMVLLTI-CQSZACIVSA-N	312.329	1.055	50	20	DDGD	
Cc1nccc(CCC(=O)NNC(=O)NC2CCCCC2)n1	814363870	QRCJEVJNCDFYFK-UHFFFAOYSA-N	305.382	1.381	50	20	DDGD	
COC(=O)Cc1occ(C)c1C(=O)NNc1cccc(F)n1	811526381	WGXJZPCCUKDCQB-UHFFFAOYSA-N	307.281	1.595	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2ccn(C)c(=O)c2)ccc1C	816687958	WICLSARTZJDXLT-UHFFFAOYSA-N	315.329	1.237	50	20	DDGD	
Cn1c(N)nc(Cl)c1C=NNC(=O)COCc1ccccc1	814855555	PKZSQMBMDXDOFF-UHFFFAOYSA-N	321.768	1.323	50	20	DDGD	
O=C(CNc1ccccc1[N+](=O)[O-])NNc1ncncc1F	817077647	NWKYPGKYVPKSHH-UHFFFAOYSA-N	306.257	1.079	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H]2COCCO2)cc1C	812721944	HIFNCVCFOZIFBJ-ZDUSSCGKSA-N	308.334	1.030	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(C(=O)OC)ccc1Cl	810853883	AVZGWOOZCXTXTL-UHFFFAOYSA-N	313.741	1.433	50	20	DDGD	
Cc1cccnc1NNC(=O)NCC[C@@]1(O)C[C@H]2CC[C@H]1C2	814346897	NLWPZQLKCFMSSS-HEHGZKQESA-N	304.394	1.957	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1nsc2ccccc12	819162405	AQDZXRFFWRYPCR-UHFFFAOYSA-N	322.390	1.206	50	20	DDGD	
N#Cc1ccncc1C(=O)NNc1nnc(-c2ccccn2)s1	813531882	HSTBMULXXBJRMI-UHFFFAOYSA-N	323.341	1.624	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1cc2c(cn1)CCCC2	813016747	ZREULKHGZXYDJR-UHFFFAOYSA-N	313.361	1.765	50	20	DDGD	
COC(=O)c1cnc([C@@H](C)NC(=O)NNc2ncccn2)s1	824782736	YBBCKMFWNIFRJF-SSDOTTSWSA-N	322.350	1.107	50	20	DDGD	
O=C(NC[C@H]1CN2CCC[C@H]2CO1)NNc1ccccc1Cl	729618982	NQGYNWKRKHHRGO-RYUDHWBXSA-N	324.812	1.829	50	20	DDGD	
CCO[C@@H]1C[C@H](NCC(=O)NNC(=O)C(C)C)C12CCCC2	829634103	AYOUWMYSNKTQPK-QWHCGFSZSA-N	311.426	1.117	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1nc2c(C)ccnc2[nH]1	829524193	DGLOYJPQQPVNHC-QMMMGPOBSA-N	307.379	1.304	50	20	DDGD	
Cc1noc(C)c1CNC(=O)NNC(=O)c1cccc(C#N)c1	728949803	CTDFCEXKMIDAPE-UHFFFAOYSA-N	313.317	1.307	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccc2c(c1)CCCC2=O	825505702	QTKUZHQPWRXCAO-UHFFFAOYSA-N	314.263	1.919	50	20	DDGD	
CC1(C)CCN(CC(=O)NNC(=O)c2ccc(F)cc2)CC1	726971951	GYZVIEBXSBDVFF-UHFFFAOYSA-N	307.369	1.709	50	20	DDGD	
O=C(NNc1ncccn1)c1ccc(Cl)c(-c2nn[nH]n2)c1	826449781	JRWJKOPPUOYDBT-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
CC(C)(C)OC(=O)[C@]1(C(=O)NNC(=O)NC2CC2)CC1(C)C	823763199	QKVOAHUZUZNCTI-OAHLLOKOSA-N	311.382	1.237	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc2c(NC)ncnc2c1	823950170	DRVFSQLZCHITFK-UHFFFAOYSA-N	302.338	1.026	50	20	DDGD	
O=C(CC[C@H]1CC1(Cl)Cl)NNC(=O)Cc1cccnc1	826123695	TUEOREVXTPQPLV-JTQLQIEISA-N	316.188	1.746	50	20	DDGD	
Cn1cccc1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	826363522	QEPBAJRASCILDI-UHFFFAOYSA-N	318.728	1.011	50	20	DDGD	
Cc1ccc([C@H]2C[C@H](C)N(CC(=O)NNC(=O)C(C)C)C2)cc1	829312496	ATHRVHBGRBJJED-HOCLYGCPSA-N	317.433	1.976	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NN1Cc2ccccc2C1=O	491011253	OLBZHFQJQZQJIR-ZROIWOOFSA-N	319.320	1.986	50	20	DDGD	
C[C@@H](Oc1ccc(/C=C(/C#N)C(=O)NC2CC2)cc1)C(=O)O	491051313	SDTADHNMMLZDRV-BKLZJWBFSA-N	300.314	1.724	50	20	DDGD	
COC(=O)c1ccc(O)c(C=NNC(=O)c2cccn2C)c1	726737355	PGIIOPRYCPDEPV-UHFFFAOYSA-N	301.302	1.281	50	20	DDGD	
COC(=O)Nc1ccc(C(=O)NN(C)C[C@H](C)O)c(Cl)c1	822562993	FNRYIWKVBFNLBM-QMMMGPOBSA-N	315.757	1.476	50	20	DDGD	
CCCCC[C@H](O)C(=O)NNC(=O)COc1cc(C)ccc1C	822195919	NUAABTJGNORSMA-AWEZNQCLSA-N	322.405	1.771	50	20	DDGD	
CN(C(=O)/C(C#N)=C/c1cnn(C)c1)[C@@H](CO)CC(C)(C)C	491104255	NGLIRXPQDSZFSW-YGLIYXGISA-N	304.394	1.583	50	20	DDGD	
CC(C)C[C@H]1COCCN1C(=O)/C(C#N)=C/c1cnn(C)c1	490979927	ZHWOMFMRJXGXFD-LULHVWEPSA-N	302.378	1.601	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CC[C@@H](CCCO)C1	491177398	WJPMMYGEATUYMB-MFYHJKBNSA-N	300.358	1.920	50	20	DDGD	
C[C@@H](Cc1cccs1)N(C)C(=O)c1cccc(B(O)O)c1	584958544	ZVINEESBBDGOCU-NSHDSACASA-N	303.192	1.131	50	20	DDGD	
OB(O)c1cccc(CN[C@H]2CCc3ccc(F)c(F)c32)c1	585045828	NMWCCQNEYYHZNX-AWEZNQCLSA-N	303.117	1.422	50	20	DDGD	
Cc1ccc(-c2nc(CC(=O)NN(C)[C@@H](C)CO)cs2)o1	823977234	RGWVJSNKGUCJOX-VIFPVBQESA-N	309.391	1.598	50	20	DDGD	
COCCOc1ccc(C=NNC(=O)Cc2ccncc2)o1	901193927	CDPTZVMQITYDRB-UHFFFAOYSA-N	303.318	1.393	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@H](O)c1cccc(C(F)(F)F)c1	823922203	JEUHONTWFZOIHA-GZMMTYOYSA-N	306.284	1.083	50	20	DDGD	
CO[C@H](CNCc1ccc(B(O)O)o1)c1cccc(Cl)c1	585026807	KIDBPWUNQLBPNI-CYBMUJFWSA-N	309.558	1.090	50	20	DDGD	
O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NCB(O)O	585060241	BATNNKHUVOZMAU-UHFFFAOYSA-N	311.146	1.445	50	20	DDGD	
C#CCN(CC(=O)NNC(=O)C(C)C)[C@@H]1CCc2ccccc21	491700210	CTBJBJMMJBYWBZ-MRXNPFEDSA-N	313.401	1.413	50	20	DDGD	
Cc1cc(C)cc(N2CC[C@@H](C(=O)NN(C)[C@@H](C)CO)C2=O)c1	823964999	HEADNMVTZLJCMQ-ZFWWWQNUSA-N	319.405	1.000	50	20	DDGD	
C[C@]1(C(=O)NNc2nc3ccccc3[nH]c2=S)CCNC1=O	824823664	INSCADMOMIJUGG-AWEZNQCLSA-N	317.374	1.262	50	20	DDGD	
CCN(C[C@H](C)OC)C(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	491007393	FYPQDOWEAPFRFG-QNKXHIPISA-N	314.389	1.996	50	20	DDGD	
CC[C@@H](C)[C@H](NNC(=O)c1c[nH]c2ccccc12)C(=O)OC	905747039	HPTACKZEQAMMQV-YGRLFVJLSA-N	303.362	1.990	50	20	DDGD	
CCOC(=O)c1cnc(NC(=O)[C@@]2(C)C[C@H]2Br)[nH]1	909989438	RHCYOTFFNNZYHT-HQJQHLMTSA-N	316.155	1.698	50	20	DDGD	
O=C(Cc1csc(-c2ccccn2)n1)NNc1cccnn1	736702333	NXRJJKDYGJXMRE-UHFFFAOYSA-N	312.358	1.681	50	20	DDGD	
C[C@@]1(C(=O)NCCN2CCSCC2)C[C@H]1Br	906659645	FUDUEMJAXFXRMI-MWLCHTKSSA-N	307.257	1.325	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(C)(C)F	494148686	QIYUCYPCTCFRMG-UHFFFAOYSA-N	305.350	1.187	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNc1cc(Cl)nc(Cl)c1	496113469	FQIZYSFXUIPWFJ-UHFFFAOYSA-N	321.164	1.966	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNC(=O)Cc1ccc(F)cc1	839474562	UIQNWUIWHKPLIX-GFCCVEGCSA-N	310.325	1.105	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CNC(=O)Nc2ccccc2)n1	837302454	RWUOEHBBYOJVBM-UHFFFAOYSA-N	314.349	1.358	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)COc1ccccc1C#N	834927256	JOHLDXMLHQSAHZ-UHFFFAOYSA-N	312.333	1.007	50	20	DDGD	
CCC[C@H](OC)C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	837803147	WMEFWBVSCCKKEQ-ZDUSSCGKSA-N	322.361	1.114	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	831677915	NNDCBVVZUMHSSU-GXSJLCMTSA-N	322.321	1.481	50	20	DDGD	
CCOc1ccc(OCC)c(NCc2cccc(B(O)O)c2)c1	585012298	SVPSYDRBOLSZJY-UHFFFAOYSA-N	315.178	1.776	50	20	DDGD	
C[C@]1(C(=O)NCCNc2ncccc2C#N)C[C@H]1Br	906405322	ZZPNIPPBDHLOBN-MFKMUULPSA-N	323.194	1.655	50	20	DDGD	
CC[C@H]1c2ccccc2CCN1C(=O)c1ccc(B(O)O)cc1	584947353	MSNGQFBKGXQMNS-KRWDZBQOSA-N	309.174	1.516	50	20	DDGD	
COc1ccc([C@@H](NCc2ccc(B(O)O)o2)C2CC2)cc1	585015266	VFJIEZSKPYOOKP-INIZCTEOSA-N	301.151	1.209	50	20	DDGD	
Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N1CC[C@H](B(O)O)C1	585074987	FATPPZDVBHCCFH-ZFWWWQNUSA-N	319.210	1.961	50	20	DDGD	
C/C=C(\CC)C(=O)NNC(=O)c1cc(Br)c[nH]1	588565649	YCZWBWKQSMSXIF-XVNBXDOJSA-N	300.156	1.895	50	20	DDGD	
C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NNc1cc(C)ncn1	734255358	YNHFQXJBBIWOPM-GFCCVEGCSA-N	323.356	1.743	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@@H]2C(=O)O)cc1	737204443	YCEIWERJAOCJEZ-MNOVXSKESA-N	323.374	1.124	50	20	DDGD	
CCc1nncn1CCNC(=O)[C@]1(C)C[C@@H]1Br	906768484	VXKRKGZAYVCZHA-GZMMTYOYSA-N	301.188	1.130	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)NCc1ccsc1	730819896	LRCOWLLONHEUMG-UHFFFAOYSA-N	321.358	1.363	50	20	DDGD	
CCN1CCOC[C@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	832969418	YOQUSIRBEBRDML-JTQLQIEISA-N	318.299	1.264	50	20	DDGD	
CC(C)CN1C[C@@H](C(=O)NNc2ncccc2Cl)CC1=O	734245856	AMOCYZPBFITSGX-JTQLQIEISA-N	310.785	1.683	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CC(S(C)(=O)=O)C1	837152041	RNBKJXYKHDZIBN-MRVPVSSYSA-N	312.229	1.051	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CC23CCOCC3)cc1F	837050781	SICYKPRAPCTHKT-LBPRGKRZSA-N	322.336	1.872	50	20	DDGD	
CCc1ccc(CN(C(=O)c2cccc(B(O)O)c2)C2CC2)cc1	584927075	BVHMXNKWUJZPNR-UHFFFAOYSA-N	323.201	1.734	50	20	DDGD	
Cc1ccc([C@H]2OCCC[C@H]2NCc2ccc(B(O)O)o2)cc1	585025929	GSYNDIZIYVZLHY-NVXWUHKLSA-N	315.178	1.278	50	20	DDGD	
O=C(NCCC[C@@H]1CCOC1)NNc1ncc(F)cc1F	838715458	UANJAETYVBERQG-SECBINFHSA-N	300.309	1.803	50	20	DDGD	
CS[C@H](CNC(=O)NNC(=O)[C@@H]1CCCCO1)C(C)(C)C	836395733	WQFMJHXAVLBRLP-WDEREUQCSA-N	317.455	1.664	50	20	DDGD	
CCn1cc(-c2n[nH]cc2C(=O)NCC(Cl)Cl)cn1	837646670	ULAGKNLUNKHAPL-UHFFFAOYSA-N	302.165	1.827	50	20	DDGD	
CCn1nc(C(=O)NN=C(C)c2ccc[nH]2)c2ccccc2c1=O	916321470	LCTNEYXJIMJMCK-UHFFFAOYSA-N	323.356	1.899	50	20	DDGD	
CCS(=O)(=O)N[C@@H](C)C(=O)NNc1c(F)cccc1Cl	832358337	WUNJMJBRLFZSCG-ZETCQYMHSA-N	323.777	1.250	50	20	DDGD	
CC(C)Cn1cc(C(=O)NN(C)C[C@@H](C)O)c(C(F)F)n1	910143518	AXMIBQXCOWFBNQ-SECBINFHSA-N	304.341	1.434	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21	834348509	NMBLCDOBWXKYCP-YNEHKIRRSA-N	302.378	1.528	50	20	DDGD	
CC(=O)Nc1cccc(C(C)=NNC(=O)CN2CCCC2=O)c1	916359076	ILGOPNABPNHWTN-UHFFFAOYSA-N	316.361	1.108	50	20	DDGD	
CCc1cnc(CNC(=O)NNC(=O)CC(F)(F)F)s1	745904248	IPUBSHMAJRLFPD-UHFFFAOYSA-N	310.301	1.488	50	20	DDGD	
Cc1cc(NNC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)ncn1	749323395	GYQYUVRMCVJNBW-MRXNPFEDSA-N	312.329	1.400	50	20	DDGD	
Cn1cccc1CNC(=O)NNC(=O)c1cccc(Cl)c1	743709885	HALDSYHIWMQEII-UHFFFAOYSA-N	306.753	1.823	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc3c(s2)CCC3)n(C)n1	917523271	VXZBYXULRLOEDT-UHFFFAOYSA-N	304.375	1.354	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)C1CCC(NC(=O)C(C)(C)C)CC1	910150315	PNFMKZXVDUURDH-PNESKVBLSA-N	313.442	1.051	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2ccc(C(=O)O)cc2)cs1	916317706	TWLZCYJZQQMSSS-UHFFFAOYSA-N	303.343	1.843	50	20	DDGD	
COCCOCC(C)=NNC(=O)Cn1c(C)nc2ccccc21	741161383	SFUFQIGXDODGHW-UHFFFAOYSA-N	318.377	1.500	50	20	DDGD	
Cc1cn2c(C=NNC(=O)[C@H]3CCO[C@@H]3C)c(C)nc2s1	842552885	CPIHZSXIPPCHKO-MNOVXSKESA-N	306.391	1.888	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCC[C@H](CO)[C@@H]1C	841584345	IAHPJECUBPUYGD-NWDGAFQWSA-N	321.377	1.142	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1ccnn1-c1ccc(F)cc1	842561449	QWUXDSPXDZJACJ-ABAIWWIYSA-N	316.336	1.887	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)Nc1cccc(NC(=O)NN(C)C)c1	843869757	BSSGSULNRWTDFU-OAHLLOKOSA-N	306.366	1.550	50	20	DDGD	
COC(=O)[C@@H]1CCN(C(=O)[C@]2(C)C[C@H]2Br)C[C@@H]1C	912689449	BCUXKXUCJIIMEN-DCJFZGGZSA-N	318.211	1.818	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(Cl)ccc1OC(F)F	910162085	CUABTVHSZRXHJA-ZETCQYMHSA-N	308.712	1.899	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	843642099	VNWHFMHUMYRPAJ-AZLLNVJASA-N	304.346	1.281	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cc(OC)cc(OC)c1	748253185	LVBLYDARVJIAMI-LLVKDONJSA-N	310.350	1.205	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c2ccccc21	843971490	BMBBWJCEOPSDIA-RYUDHWBXSA-N	315.373	1.847	50	20	DDGD	
O=C(NN=C1CCc2c(F)ccc(F)c21)C(=O)N1CCCC1	749607856	CVXYMGUWRHELTQ-UHFFFAOYSA-N	307.300	1.354	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H]1CC(=O)N(CC(C)C)C1	914603349	LGRJUHIEJKTTBL-ZDUSSCGKSA-N	317.389	1.261	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1ccc([N+](=O)[O-])cc1	740763265	DOBBFNSABCNDGV-UHFFFAOYSA-N	320.349	1.740	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1cc([N+](=O)[O-])ccc1O	842560768	HMJCIPUNGRSXEW-ONGXEEELSA-N	307.306	1.566	50	20	DDGD	
C=Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	842590910	SRECDIVAZQSALZ-ZWNOBZJWSA-N	310.375	1.064	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)[C@@H]1CCO[C@H]1c1ccncc1	845947393	KYGUTJBTQJWABX-RISCZKNCSA-N	318.764	1.773	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H](C)Cc1cccc(F)c1	843649749	XDBPATXMYXJSTP-SUNKGSAMSA-N	308.353	1.577	50	20	DDGD	
CCC(C)(C)CC(=O)NNC(=O)Cc1cn2ccccc2n1	746548544	JOZZAYBYZAJVSL-UHFFFAOYSA-N	302.378	1.851	50	20	DDGD	
NC[C@@H](NC(=O)NNc1ncnc2ccsc12)C1CCCC1	841986466	NLZITDSHFANZQX-LLVKDONJSA-N	320.422	1.835	50	20	DDGD	
Cn1ccnc(NNC(=O)CCSc2ccccc2F)c1=O	747941781	GHOXWGGTIXOAHB-UHFFFAOYSA-N	322.365	1.545	50	20	DDGD	
CCC(CC)(CN)C(=O)NNc1nc(-c2cccnc2)no1	844181044	MJDUVMFYCKESEM-UHFFFAOYSA-N	304.354	1.340	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)NC1CCCCC1)c1ccc(F)cc1	929246376	OEDKRRRLASXBBI-MRXNPFEDSA-N	323.368	1.696	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1C[C@H]2C=C[C@H]1CC2	842524370	BCMUOFDWHGSZDT-XDQVBPFNSA-N	310.419	1.516	50	20	DDGD	
Cc1c(NNC(=O)CCn2ccccc2=O)cccc1[N+](=O)[O-]	748665393	BEULLACQXCFNET-UHFFFAOYSA-N	316.317	1.598	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1CCC(C(F)(F)F)CC1	843656149	MDPLYNRJHDHYPE-SFXRXQKFSA-N	322.327	1.928	50	20	DDGD	
CC(C)CCn1cc(C(=O)NNC(=O)NC2CCCC2)nn1	740819832	GGFABXKSEUNTOW-UHFFFAOYSA-N	308.386	1.211	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@](C)(C(=O)O)c1ccccc1	846128733	SJTCKBKCKHPYDS-MRXNPFEDSA-N	321.377	1.405	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@@H]1c1ccccc1)c1ncccn1	841352469	LQZLFMRQUIKFKS-KGLIPLIRSA-N	310.357	1.822	50	20	DDGD	
CCC/C(C)=C\C(=O)OCC(=O)NNC(=O)c1cccs1	920693244	OMQAVGOEMDRAOE-NTMALXAHSA-N	310.375	1.799	50	20	DDGD	
CO[C@]1(CNC(=O)NNc2ccc(F)cc2Cl)CCOC1	921984854	KVWYNVJATXIDSR-ZDUSSCGKSA-N	317.748	1.911	50	20	DDGD	
Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@]1(C)C[C@H]1Br	857395989	WTLOUNYEKYUCSY-XCBNKYQSSA-N	317.143	1.232	50	20	DDGD	
COC(=O)N1CC(NC(=O)NNc2ccc(Cl)cc2F)C1	921547839	FPPGYYHHFQZXAV-UHFFFAOYSA-N	316.720	1.556	50	20	DDGD	
CCCc1nc(C(=O)NNc2ccccc2S(C)(=O)=O)co1	759953909	COIVTIUMGNSFIU-UHFFFAOYSA-N	323.374	1.788	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cc(C)c3c[nH]nc3c2)n[nH]1	757816988	CQCXQYDQSOJVEM-UHFFFAOYSA-N	313.321	1.369	50	20	DDGD	
C[C@]1(CNS(=O)(=O)c2cccnc2)C[C@H]1Br	856754610	KXPYUDXHOTUIRQ-NXEZZACHSA-N	305.197	1.533	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)o1	753884458	CKEVKNBWDMLOSS-UHFFFAOYSA-N	303.274	1.500	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2C[C@]23CCOC3)c1C	855625546	VSZLKMVLQUSQML-LRDDRELGSA-N	304.346	1.651	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2csc(C=O)c2)c1	754956861	CEAUUMVHYOONQN-UHFFFAOYSA-N	317.370	1.701	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2nc(Cl)ccc2F)c1	759006988	CIAUYUKMNWLNLP-UHFFFAOYSA-N	318.695	1.821	50	20	DDGD	
CCOCCn1cc(C(=O)NNc2ncccc2Cl)cn1	857127395	QKPJMVAWGYRSQX-UHFFFAOYSA-N	309.757	1.725	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1cc(OC)ccc1OC	920766622	NKIPVWGUAXNGQJ-UHFFFAOYSA-N	309.366	1.377	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cc2c(F)cccc2F)nc1	759737466	BYFOKFJGRKANDK-UHFFFAOYSA-N	321.283	1.832	50	20	DDGD	
C[C@]1(CNC(=O)NCCCCC(=O)O)C[C@@H]1Br	857100499	FPQCUEXUGDAHSZ-GZMMTYOYSA-N	307.188	1.714	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1cc(F)c(F)cc1F	756432803	UJDWZCVHIPXGTB-UHFFFAOYSA-N	310.235	1.965	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1ccc(-n2ccnc2)nn1	754488049	QQWLAJXNZOQVEV-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
Cc1cc(NNC(=O)NC[C@]2(C)CCC(=O)N2)ccc1Cl	922812657	SOVJUJYGXLHAMI-AWEZNQCLSA-N	310.785	1.943	50	20	DDGD	
CNC(=O)NN=Cc1cc(Br)cc(OC)c1O	920379304	UBPPRXRPCPEHAJ-UHFFFAOYSA-N	302.128	1.426	50	20	DDGD	
C[C@]1(CNC(=O)CCCS(C)(=O)=O)C[C@@H]1Br	857399251	VPSHXMQSURNHSX-WCBMZHEXSA-N	312.229	1.101	50	20	DDGD	
COC[C@@H]1CCCN1C(=O)NC[C@@]1(C)C[C@H]1Br	856898618	DCIDYKAMBKNIMA-HOSYDEDBSA-N	305.216	1.980	50	20	DDGD	
C[C@]1(CNC(=O)N[C@H]2CC23CCNCC3)C[C@H]1Br	857106415	MMOIVHDFYBJEFN-JFGNBEQYSA-N	316.243	1.601	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCCCNC(=O)OC(C)(C)C	854923061	YLYHECJZXYGVCA-UHFFFAOYSA-N	318.443	1.149	50	20	DDGD	
CCOC(=O)c1nn(C)cc1C=NNC(=O)OCC(F)(F)F	853429734	QWKSWCHAQAWSED-UHFFFAOYSA-N	322.243	1.219	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ccc(C#N)c(Cl)c2)no1	753317973	YCEHMVCSHPGBGC-UHFFFAOYSA-N	319.708	1.590	50	20	DDGD	
COc1cccc2c1OCC(C(=O)NNC(=O)NC(C)C)=C2	751382631	SZVLAUGTCGKRGO-UHFFFAOYSA-N	305.334	1.210	50	20	DDGD	
CCC(C)(C)OCCNC(=O)NNc1ncc(Cl)cn1	856914039	KCHDXKHQUJHUMH-UHFFFAOYSA-N	301.778	1.961	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2ccc(C(=O)N(C)C)[nH]2)n1	752162215	AZFZDBSSIRCUHI-UHFFFAOYSA-N	319.390	1.174	50	20	DDGD	
CNC[C@H](C)NC(=O)NNC(=O)Cc1cccc2ccccc12	851679507	BJPNKGYDDZEPIA-LBPRGKRZSA-N	314.389	1.321	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@H]2CC(C)=NO2)cc1OC	854236659	OLUVAYFHJYOGLV-ZDUSSCGKSA-N	321.333	1.020	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2ccc(Cl)nc2)ncn1	757758639	KABKYFHSERFDCO-UHFFFAOYSA-N	322.712	1.000	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H]1COc2ccccc21	854281299	DDRNCCCVMVKQGD-GFCCVEGCSA-N	323.418	1.037	50	20	DDGD	
C[C@@]1(CNC(=O)N2[C@H]3CC[C@H]2CC(O)C3)C[C@H]1Br	856952910	FLGBQEKAPOWDKT-LKVCOOQKSA-N	317.227	1.857	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=Cc1ccc(CO)cc1	853406604	LOGFKACFURNXPD-UHFFFAOYSA-N	319.405	1.572	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCc2ncc(C)s2)c1	858252544	KSRSPEFBIVRSJN-UHFFFAOYSA-N	310.404	1.966	50	20	DDGD	
Cn1ccnc1[C@H]1CCN(C(=O)NNC(=O)C2CCCC2)C1	753354527	JSJKCLKQQRTGPM-LBPRGKRZSA-N	305.382	1.140	50	20	DDGD	
Cc1ccnn1CC(=O)NNC(=O)c1cc2c(s1)CCC2	858138109	OPSXSSSWOPNOOA-UHFFFAOYSA-N	304.375	1.203	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)N(C)NC(=O)OCc1ccccc1	862289628	TVJLSEDSSNMJSR-ZDUSSCGKSA-N	322.361	1.876	50	20	DDGD	
COC(=O)Cc1occ(C)c1C(=O)NN=c1cc[nH]c(C)c1	862513476	GJOKMHDRNANMQZ-UHFFFAOYSA-N	303.318	1.186	50	20	DDGD	
CC1=C(C(=O)NNc2ccc([N+](=O)[O-])cc2)C(=O)OC1(C)C	768255973	SDBSWZFLSPUXTL-UHFFFAOYSA-N	305.290	1.690	50	20	DDGD	
COc1nccnc1NNC(=O)Cc1ccc2c(c1)COC2	764465491	NBMJWBMAHYRRGN-UHFFFAOYSA-N	300.318	1.201	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cccc(OC)n2)n1	762914613	WTCPPEVAYCVGDR-UHFFFAOYSA-N	316.365	1.483	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ncc2n1CCCC2)C1CC1	869219422	XRBFYXMURPYEFY-SECBINFHSA-N	307.423	1.127	50	20	DDGD	
Cc1ccc(S(C)(=O)=O)cc1C(=O)NN[C@@H](C)C(F)(F)F	862304632	QPCGDJNSBURUHX-QMMMGPOBSA-N	324.324	1.584	50	20	DDGD	
CC(=O)NNC(=O)Cc1c[nH]c2cc(Br)ccc12	765392531	GZVCBHGWRIXMNH-UHFFFAOYSA-N	310.151	1.640	50	20	DDGD	
COc1ccccc1CC(C)(C)C(=O)NNC(=O)c1cn[nH]c1	862471449	FKRXERJFLNRUCW-UHFFFAOYSA-N	316.361	1.448	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2c[nH]c3ccccc23)c(C)nn1	767163151	GKKZHMLDBWPXGU-UHFFFAOYSA-N	309.329	1.650	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C2CCOc3ccc(Cl)cc32)N1	863148020	RBJONQRMESVTNY-LLVKDONJSA-N	307.737	1.221	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)NCC3CC3)cc2s1	761623685	GPUVKZIJRNQRMQ-UHFFFAOYSA-N	304.375	1.959	50	20	DDGD	
CC[C@H](CC(F)(F)F)C(=O)NNC(=O)Cc1cc(C)[nH]n1	869017157	IHHWTQAECSBRJM-MRVPVSSYSA-N	306.288	1.387	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H](NC2CCOCC2)C(C)C)n1	863934489	JWARSLIAAJENMS-HNNXBMFYSA-N	306.410	1.626	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(NC(C)=O)c(F)c1	768179855	JNBYDOCEACDNQM-UHFFFAOYSA-N	310.354	1.079	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1ccc(O)cc1F	863097048	CJKMTNDIKULXRH-UHFFFAOYSA-N	302.174	1.963	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CC(F)(F)F)c(F)c1	764117785	WEPZJVNYJLGMSX-UHFFFAOYSA-N	321.230	1.172	50	20	DDGD	
CC1(C)COc2ccc(C(=O)NNC(=O)c3cn[nH]c3)cc21	862470884	XHTJGAFPMMIWPW-UHFFFAOYSA-N	300.318	1.155	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)n[nH]1	768277555	GTAIISWFOMDAJJ-JOYOIKCWSA-N	316.361	1.828	50	20	DDGD	
COCC[C@H](Cc1ccco1)NC(=O)NN=c1cc[nH]c(C)c1	875482431	FQSIPQOYWKTWCU-CYBMUJFWSA-N	318.377	1.679	50	20	DDGD	
CSc1nnc(CNC(=O)NNc2cccc(C)n2)s1	875520359	GRCJZCAACUPWCQ-UHFFFAOYSA-N	310.408	1.790	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@H](C)OCC(C)C)n1	762899311	BBGVQVLAHFAXAY-LBPRGKRZSA-N	309.414	1.827	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@H]1CCC=CO1	772997399	UQDKRYSSWFQNLZ-ZWNOBZJWSA-N	324.764	1.947	50	20	DDGD	
CC(C)(C)Oc1cccc(C=NNC(=O)C(=O)NC2CC2)c1	872338431	XZBYPAUTGWQIJU-UHFFFAOYSA-N	303.362	1.593	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C)C(C)C	770208332	MSCUMYANKWHTEP-UKRRQHHQSA-N	322.405	1.889	50	20	DDGD	
Cc1ccn(CC(=O)NNc2ncnc3ccsc23)c(=O)c1	772389785	RMCAURHBIYXZGE-UHFFFAOYSA-N	315.358	1.305	50	20	DDGD	
CC(=O)NCCCNC(=O)NNc1cccc(F)c1Cl	875085506	BHKBFDAZJPDSGO-UHFFFAOYSA-N	302.737	1.631	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCC(C)(C)S(C)(=O)=O	771335321	UANILRURCNKNSZ-UHFFFAOYSA-N	317.386	1.583	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)N[C@@H](CO)C1CC1	778686899	MIZQSFRQBYZXRF-NSHDSACASA-N	303.318	1.148	50	20	DDGD	
CN(C)CC1(C(=O)NNC(=O)Cn2ccc3ccccc32)CC1	874385175	OTLOTNBFRXPHDS-UHFFFAOYSA-N	314.389	1.131	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=CC2(OC)CCOCC2)c1	1116772494	VFKZYEKHCVGMDV-UHFFFAOYSA-N	322.361	1.615	50	20	DDGD	
COC(=O)COCCNC(=O)NNc1ccc(C(C)(C)C)cc1	875847549	RINHYQXATMYRSW-UHFFFAOYSA-N	323.393	1.800	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cnn(C)c1Cc1ccccc1	772151319	MBJFBVSBEGVPRB-UHFFFAOYSA-N	315.377	1.363	50	20	DDGD	
CC1=NO[C@@H](C(=O)NNC(=S)Nc2ccc(C)c(C)c2)C1	873761789	IEMJFZACMYRYTD-GFCCVEGCSA-N	306.391	1.786	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc(OC)nc2OC)n1	775569042	CPEYXXIHXBWRCG-UHFFFAOYSA-N	320.309	1.046	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)NCCCC(C)(C)C)nc21	770395756	DGQBESDUOXHOFT-UHFFFAOYSA-N	321.385	1.521	50	20	DDGD	
Cc1ncc(CCNC(=O)NNc2cncc(Cl)n2)s1	772629592	KYLHQUWGXDLQEB-UHFFFAOYSA-N	312.786	1.764	50	20	DDGD	
Cc1cn2c(=O)c(C(=O)NN(C)c3ccccc3)cnc2s1	772905832	APWCYCZRGJPSNZ-UHFFFAOYSA-N	314.370	1.846	50	20	DDGD	
Cc1ccc(C(=O)NCCCSC#N)cc1S(C)(=O)=O	773585302	HQFQLBZXGBKFKR-UHFFFAOYSA-N	312.416	1.733	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H]1CCOC(C)(C)C1	1120604088	DZBAURCYNWWMEA-NSHDSACASA-N	306.362	1.661	50	20	DDGD	
O=S(=O)(CCCCl)NCc1nnc2n1CCCCC2	881757151	UDGBYEWVRKDKSS-UHFFFAOYSA-N	306.819	1.053	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1[C@H](C)[C@@H](OC)C1(CC)CC	771433657	IKDRXXANSQNTBO-CYZMBNFOSA-N	315.414	1.193	50	20	DDGD	
Cc1nnc(NNC(=O)c2cc(C)n([C@H](C)C3CC3)n2)nc1O	777521897	KANXVTIDGRXMLY-SECBINFHSA-N	317.353	1.118	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cccc(-n2cccn2)n1	772871222	SBMBLCQBTINKPJ-UHFFFAOYSA-N	323.360	1.938	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@H](O)c1ccc(Cl)cc1	881914525	ODENTLRMUPFUKN-NSHDSACASA-N	312.218	1.922	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccnc(-n2ccnc2)c1	772876445	WNTSZAAAZNJALR-UHFFFAOYSA-N	323.360	1.938	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@@H](n1cccn1)C(F)(F)F	887151807	KPWBOERBXHQWHL-SNVBAGLBSA-N	316.283	1.328	50	20	DDGD	
Cc1cccnc1[C@H](C)NC(=O)NNC(=O)[C@@H]1CCCCO1	1122392921	ZPIUSQQWVGMORM-RYUDHWBXSA-N	306.366	1.351	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)c2cncnc2)c1	788253775	CXVUNRDCYSDBIW-UHFFFAOYSA-N	300.322	1.327	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)NC1(Cc2ccccc2)CC1	883751471	MAOLWQIEMMLGKD-AWEZNQCLSA-N	317.389	1.661	50	20	DDGD	
CC(C)(C(N)=O)N1CCN(C(=O)C2CCC(Cl)CC2)CC1	1123730153	PBZRNKAYOVFEIY-UHFFFAOYSA-N	315.845	1.192	50	20	DDGD	
COCCOc1ccccc1C(=O)NNc1ncncc1Cl	781813700	LHEHECRTLRGMJN-UHFFFAOYSA-N	322.752	1.912	50	20	DDGD	
Cn1ccnc1[C@@H]1C[C@H](NS(=O)(=O)CCCCl)CCO1	882245768	MKDNIOPDYSDTOO-MNOVXSKESA-N	321.830	1.189	50	20	DDGD	
CCCCn1ncc(NC(=O)C(=O)NNc2ccccn2)c1C	784795942	DBRQYQFJDRFOJO-UHFFFAOYSA-N	316.365	1.468	50	20	DDGD	
O=C1O[C@@H](C(=O)NNc2ncncc2Cl)Cc2ccccc21	781829085	HPVWWNWACINKBN-LLVKDONJSA-N	318.720	1.355	50	20	DDGD	
O=C(NC[C@@H]1CCC=CO1)NNC(=O)c1cccc(Cl)c1	780747432	DQGNCQLATLRJJS-LBPRGKRZSA-N	309.753	1.977	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(-n2cccn2)cc1	785836198	VSTODHNNUUFXCK-UHFFFAOYSA-N	302.338	1.570	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCc2cccc3cc[nH]c23)cn1	786258418	HUKQLSRWOBSFKY-UHFFFAOYSA-N	312.333	1.046	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccc3cncn3c2)cc1	785690676	JVCARWVGCGSJLF-UHFFFAOYSA-N	308.341	1.972	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@H]2C[C@@H]3CC[C@H](C2)N3)o1	892600017	YAFPEEWDYPEPSQ-ZSBIGDGJSA-N	306.366	1.063	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@@H](NS(=O)(=O)CBr)C1(C)C	782476873	IFYKRNHCTOFHCV-XLPZGREQSA-N	300.218	1.318	50	20	DDGD	
O=C(NNC(=O)c1ccc2ccccc2n1)c1cccc(O)n1	788267985	SNQQZYLEIRORFN-UHFFFAOYSA-N	308.297	1.410	50	20	DDGD	
C[C@H]1CC[C@@H](NC(=O)NNC(=O)COc2ccc(F)cc2)C1	780788679	ZJVHJKXNHBULIC-CMPLNLGQSA-N	309.341	1.724	50	20	DDGD	
COc1cccc(NNC(=O)c2cccc(OC)c2OC)n1	780769206	NTWLLXWMIYATCO-UHFFFAOYSA-N	303.318	1.864	50	20	DDGD	
CO[C@]1(C(=O)NNC(=O)CNc2ccc(C)cc2)CCSC1	895558274	UVUMZLCGHIEZOG-OAHLLOKOSA-N	323.418	1.076	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1C#N)c1cc(C)nn1C	788977486	LOEXUVZTUPWFNJ-UHFFFAOYSA-N	311.345	1.519	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C1(Cc2ccc(F)cc2)CC1	783613925	LFMYMMDEDWSBOK-UHFFFAOYSA-N	316.336	1.641	50	20	DDGD	
COc1ccccc1C(=O)C(=O)NNc1nc2ccccn2n1	791248172	JJQUCSVENXBHAB-UHFFFAOYSA-N	311.301	1.064	50	20	DDGD	
CC(C)n1nccc1C=NNC(=O)[C@@H]1COc2ccccc2O1	794456164	NNZQXFGHIPHSFW-HNNXBMFYSA-N	314.345	1.754	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@H]1CCCN1c1ccccc1	899995815	GIOIMAKAMFNRPA-ZDUSSCGKSA-N	320.462	1.949	50	20	DDGD	
CCc1nn(C)c(CC)c1CC(=O)NNc1ncc(F)cn1	790826857	DAFWMIJHNJLRGZ-UHFFFAOYSA-N	306.345	1.160	50	20	DDGD	
CC(C)[C@@H]1CCCC(=NNC(=O)[C@H](C)NS(C)(=O)=O)C1	794508425	OODRKKVFXAOVGU-WDEREUQCSA-N	303.428	1.243	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)/C=C\COC)cc1	791296823	MIBNLBTZPWGVLV-FJOGCWAESA-N	322.361	1.203	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)c1ccc(Cl)cc1O	794992111	UVFADVDLZONVLY-QPUJVOFHSA-N	314.769	1.868	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2cnccn2)c(C)cc1C	796989688	RBCRCGLKJRLGFO-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
CO[C@@H]1CCC[C@H](CC(=O)NNc2ccnc(N(C)C)n2)C1	795120621	LAENMDVVNAZIGY-NWDGAFQWSA-N	307.398	1.581	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1)[C@@H](C)O	790070316	NWQQUUBKCGNWMU-BREBYQMCSA-N	312.341	1.147	50	20	DDGD	
CC1CCC(OCC(=O)NNC(=S)N[C@@H](C)C2CC2)CC1	798127374	IVKDKZGKWSVABI-AKJDGMEZSA-N	313.467	1.876	50	20	DDGD	
C[N+](C)(C)CC(=O)NN=Cc1ccc(F)c(Br)c1	1317697511	CQPSUJXMNWUVPJ-UHFFFAOYSA-O	317.182	1.745	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1csc(C#N)c1	1324720742	WHOWWWHFLQMIJO-SECBINFHSA-N	323.374	1.359	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc3cncn3c2C)n1	1325150035	IGAXEEMWCREDEV-UHFFFAOYSA-N	312.333	1.507	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NCCOC(F)(F)F)nn1	1320793044	NSILXVIIUXOXKY-UHFFFAOYSA-N	321.303	1.937	50	20	DDGD	
Cc1coc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)c1C	1325981586	WINOSVBYTVNKMN-NSHDSACASA-N	310.350	1.635	50	20	DDGD	
O=C(NNS(=O)(=O)C1=CCCCC1)c1n[nH]c2c1CCCC2	1324732183	XXUWTUVSZYDBFG-UHFFFAOYSA-N	324.406	1.311	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1C(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1329558081	OZVFHULYYCMHIY-COMAGPEQSA-N	317.227	1.676	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cnc(-c2cccnc2)s1	1324529121	TXDJKDXXDYWMIB-UHFFFAOYSA-N	321.431	1.722	50	20	DDGD	
C=C(CC)CNC(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1328947874	FJMANZANKXYKKH-SKDRFNHKSA-N	303.200	1.359	50	20	DDGD	
O=C(NN=C1CCOC2(CCOCC2)C1)OCC(F)(F)F	1333641563	ABYQKIQXZPEWHM-UHFFFAOYSA-N	310.272	1.991	50	20	DDGD	
CCN(CCO)NC(=O)c1nc(C2CC2)n(-c2ccccc2)n1	1330261296	MQUIONYFSXMYIN-UHFFFAOYSA-N	315.377	1.104	50	20	DDGD	
O=C(OC[C@@H](CBr)C1CC1)c1cc[n+]([O-])cc1	1331629984	TZEZGEAPVQDYTN-LLVKDONJSA-N	300.152	1.898	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)NCCc1cccs1	1335753846	IAYPWNPKGKKERZ-VXGBXAGGSA-N	311.407	1.436	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCc1cc(OC)cc(OC)c1	1337653854	XEWPPUMAEQFIFF-ACCUITESSA-N	304.346	1.806	50	20	DDGD	
CS(=O)(=O)N1CCC[C@@H](NC(=O)C2CCC(Cl)CC2)C1	1263712522	GWUHJCHFELLCMN-HTAVTVPLSA-N	322.858	1.324	50	20	DDGD	
CCn1ccnc1[C@@H](C)NC(=O)NNc1nncc(N)c1Cl	1261286013	KSXASFGTCNUQGR-SSDOTTSWSA-N	324.776	1.316	50	20	DDGD	
C[C@]1(COC(=O)CS(=O)(=O)C2CC2)C[C@H]1Br	1345266189	OHUWDNSBZMPNGH-PSASIEDQSA-N	311.197	1.280	50	20	DDGD	
COC1(OC)CC(CNC(=O)NNc2ccc(F)c(F)c2)C1	1349423602	NHYFPUPCNHQWOF-UHFFFAOYSA-N	315.320	1.990	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)[C@@H]2C[C@H]2F)c1	1347558525	VPSFJHHIKGVGMK-VXNVDRBHSA-N	301.705	1.859	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@H](C)Cc2c(C)noc2C)cc[nH]1	1352558468	LGCKZYRBPGJOQF-SNVBAGLBSA-N	303.366	1.674	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H]2CC=C(C(=O)O)C2)cc1	1605696729	PJYMGRMSNUZRSN-GFCCVEGCSA-N	305.334	1.885	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)c1cccc(O)c1	1603019098	AHUUXCGOHNLARM-JTQLQIEISA-N	324.344	1.819	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@H](O)c2ccccn2)c1F	1602446850	VGXDUSGXTKVOTE-GFCCVEGCSA-N	305.265	1.096	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1F)N[C@H]1C[C@@H](C(=O)O)C1	1601553943	ASMMWPOGQJDGLN-IAQIWYKVSA-N	303.240	1.593	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@@H]1CCCCO1	1609558722	DYFITSHQOKMXGO-NSHDSACASA-N	322.756	1.532	50	20	DDGD	
CC(C)N1CCC[C@H](C(=O)NNc2cccc(C(=O)O)c2)C1	1603892853	CBXUJQQOCGRINQ-ZDUSSCGKSA-N	305.378	1.948	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1cc(C(=O)O)ccc1F	1608479466	HWNODCBVGMVEAU-UHFFFAOYSA-N	318.264	1.385	50	20	DDGD	
CCCCCCOCC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1604177261	PTTIWJJUFDQQNX-UHFFFAOYSA-N	319.369	1.302	50	20	DDGD	
Cc1ccc(NNC(=O)Cn2cc(C(=O)O)cn2)cc1Cl	1600461053	AQPZDKULXKICGY-UHFFFAOYSA-N	308.725	1.686	50	20	DDGD	
O=C(CCN1CC[C@@H](F)C1)NNc1cccc(F)c1C(=O)O	1608307976	GYVLJNKNMMRXKC-SECBINFHSA-N	313.304	1.401	50	20	DDGD	
O=C(NN=C1CCCc2ncccc21)[C@H]1CN2CCC[C@H]2CO1	1549903888	DFFIGKYLRHUZNT-BLLLJJGKSA-N	314.389	1.101	50	20	DDGD	
CCn1nccc1[C@@H]1OCCC[C@H]1C=NNC(=O)[C@@H]1CCCO1	1552455566	ZJYSPRMEXCDHSO-AEGPPILISA-N	320.393	1.652	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H](C(=O)O)C(C)C	1574081634	JJMZXJIAVCKHAZ-JTQLQIEISA-N	312.297	1.412	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1ccccc1-c1nn[nH]n1	1588775857	LQVYIYRERITHJL-JQWIXIFHSA-N	314.349	1.132	50	20	DDGD	
CC(C)(C)OCCCC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1589193929	NGGJHKXLUFTWSR-UHFFFAOYSA-N	319.369	1.300	50	20	DDGD	
CO[C@H]1C[C@@H](c2ccccc2)CCC1=NNC(=O)NCC(=O)O	1599100702	RCZSGUFDPXFICT-JSGCOSHPSA-N	319.361	1.709	50	20	DDGD	
CNc1ccc(C(=O)NNc2ccc(F)c(C(=O)O)c2)cn1	1598678778	TUEIJXOVGZFKOD-UHFFFAOYSA-N	304.281	1.718	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NN=Cc1ccc(O)c(C(=O)O)c1	1776098632	RPVVZMIVZBYMSM-GFCCVEGCSA-N	319.361	1.413	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NN=C1CCCc2oc(C(=O)O)c(C)c21	1776102360	NYONRQFCLTWALR-SKDRFNHKSA-N	320.345	1.868	50	20	DDGD	
C[C@H](Oc1cccc(C=NNC(=O)c2ccnnc2)c1)C(=O)O	1776081290	HZGUTAUJIFWPDK-JTQLQIEISA-N	314.301	1.092	50	20	DDGD	
CNC(=O)NN=Cc1ccccc1OCc1ccc(C(=O)O)o1	1776038862	NQVYIZHZZNWBHD-UHFFFAOYSA-N	317.301	1.820	50	20	DDGD	
O=C(NNC(=O)c1cc(=O)c2ccccc2o1)c1ccccc1	17170770	MWJYYISQJBTYMC-UHFFFAOYSA-N	308.293	1.868	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ncc(-c2ccccc2)s1	161141585	PDNCJEVJWTWNMW-UHFFFAOYSA-N	306.347	1.345	50	20	DDGD	
COC(=O)NNC(=O)CCc1ccccc1Br	158739966	DWAYEVOIALPJOB-UHFFFAOYSA-N	301.140	1.769	50	20	DDGD	
CCCOCC(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	151113608	XRFYGRNDUNMPSX-UHFFFAOYSA-N	308.363	1.326	50	20	DDGD	
C[C@@H](CBr)CN(C)CCN(C)C1CCN(C)CC1	152743728	ULGVEYFHDFXDOA-ZDUSSCGKSA-N	320.319	1.975	50	20	DDGD	
CN(C)c1ccc(C(=O)NNc2ncccc2[N+](=O)[O-])cc1	153598844	IYRFBGSQVMLJQZ-UHFFFAOYSA-N	301.306	1.813	50	20	DDGD	
CCCC[C@@H](CC)CNC(=O)NNC(=O)C(=O)N1CCCC1	155011499	VPYJCVMCFPKGFF-GFCCVEGCSA-N	312.414	1.156	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H]2CCc3cn[nH]c3C2)c1	157612541	HDDMQJUFZGTSBG-SECBINFHSA-N	304.325	1.806	50	20	DDGD	
O=[N+]([O-])c1ccc(CNS(=O)(=O)CBr)cc1	127126642	DGEUCFKFCIMUGQ-UHFFFAOYSA-N	309.141	1.367	50	20	DDGD	
COCC[C@](C)(O)CNS(=O)(=O)c1ccc(CCl)cc1	312747818	YVBYFEACTVWJEJ-ZDUSSCGKSA-N	321.826	1.491	50	20	DDGD	
CC(=O)c1cccc(S(=O)(=O)NNC(=O)OC(C)(C)C)c1	7405461	GCSWKKKWRMSANX-UHFFFAOYSA-N	314.363	1.607	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)CC(C)(C)C)CN1CCCCC1	103308964	NLGNPBUXOHYTBJ-CYBMUJFWSA-N	312.458	1.875	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CN2CCCC2=O)oc2ccccc12	8162772	JOFFYBUAZXASOB-UHFFFAOYSA-N	315.329	1.125	50	20	DDGD	
Cc1cc(NNC(=O)CCc2cccc([N+](=O)[O-])c2)ncn1	176571190	OGSAGUZTUQHAPH-UHFFFAOYSA-N	301.306	1.769	50	20	DDGD	
CCN(CCNC(=O)NNC(=O)CCc1ccccc1)C(C)C	102570726	IYAKHGSGONIRHX-UHFFFAOYSA-N	320.437	1.680	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc3ncccc23)n1C	106812430	SIUNQFXFTSIJBH-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
O=C(CCOc1cccc(Cl)c1)NNC(=O)Cc1cc[nH]n1	106417429	RMZKPVWHWJNXSN-UHFFFAOYSA-N	322.752	1.222	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)o1	119159271	VIJLYIMKXFHDPR-UHFFFAOYSA-N	305.246	1.277	50	20	DDGD	
CN(C)c1ccccc1NC(=O)C(=O)NNc1ccc(C#N)cc1	119704790	GTUQYJFTMMEKMH-UHFFFAOYSA-N	323.356	1.706	50	20	DDGD	
O=C(CC1CCCC1)NCC(=O)NNc1nccnc1Cl	114893775	FRYUUEXYYCXLTH-UHFFFAOYSA-N	311.773	1.270	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(-n2cc(C)cn2)cc1	119932215	JMAWSDWQJMNRDD-UHFFFAOYSA-N	315.402	1.476	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(F)nc1	119181261	NJIRKJXSRGDJSC-UHFFFAOYSA-N	319.252	1.211	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cccc(Cl)c1)N1CCCC1=O	174922122	NJSAUXJLROLCAZ-LBPRGKRZSA-N	323.780	1.502	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC1CCOCC1)c1ccccc1	171835434	BGUNFYNIRKGFLG-AWEZNQCLSA-N	305.378	1.690	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2cc(F)c(F)cc2F)nc1	115719164	NGDJDTCQQIXIDK-UHFFFAOYSA-N	310.235	1.355	50	20	DDGD	
CCCCOCC(=O)NNc1nc2ccccc2c(=O)n1CC	118310183	JFUMAWNLKXLQBF-UHFFFAOYSA-N	318.377	1.676	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1nc2ccccc2n1C	110102830	QPSQVOJAEYTOKG-SECBINFHSA-N	306.391	1.611	50	20	DDGD	
CC1(CNC(=O)NNc2ccc(-n3cccn3)nn2)CCCC1	66704922	PFAIEOGLIWAPIU-UHFFFAOYSA-N	315.381	1.869	50	20	DDGD	
O=C(C[C@@H](O)c1cccc(F)c1)NNC(=O)c1ccccc1	305495646	JHWSINYTERSIPS-CQSZACIVSA-N	302.305	1.710	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCCOc1ccccc1C	65206167	XVVOVSFQVJAHHO-UHFFFAOYSA-N	323.393	1.521	50	20	DDGD	
CC(C)CC(=O)NNc1nc(Br)cn2ccnc12	176195810	BZXKNZPTZLTVIZ-UHFFFAOYSA-N	312.171	1.981	50	20	DDGD	
O=C(NNc1nccnc1Cl)[C@H]1OCCc2ccccc21	123819489	OOOXFHGZIUCESW-NSHDSACASA-N	304.737	1.887	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cncc(Br)c1	122669501	TZWDQVFGNQIRHP-UHFFFAOYSA-N	312.102	1.530	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cc(F)c(C)cc1F	121515849	DSISAFNMDWHCKM-SSDOTTSWSA-N	306.334	1.629	50	20	DDGD	
CCOc1cnc(C(=O)NNC(=O)Cc2ccc(F)cc2)cn1	188909763	YCDOFVSZWBEPCB-UHFFFAOYSA-N	318.308	1.018	50	20	DDGD	
CC(C)(C)OCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	181144611	QIIIKAVUDDUWDE-UHFFFAOYSA-N	316.361	1.653	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(C)n(C3CC3)c2C)n1	73545943	GOHQHNMOGVDHQT-UHFFFAOYSA-N	301.350	1.995	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)C1=Cc2ccccc2OCC1	186947523	HYJSVQURRDIERM-UHFFFAOYSA-N	324.402	1.807	50	20	DDGD	
COCCN1C[C@H](C(=O)NNc2cc(C)cc(C)c2)CC1=O	122698330	ATVMKLWMAJTARH-CYBMUJFWSA-N	305.378	1.241	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=O)CNc1cccc(OC)c1	186380529	WEDUSTVSVWYFFN-UHFFFAOYSA-N	303.362	1.304	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CNc2ccccc2)c1	78400085	OODYJKBJMRQLSZ-UHFFFAOYSA-N	313.357	1.633	50	20	DDGD	
O=C(CCn1cnc2ccccc2c1=O)NNc1ccccn1	181237515	ZLWIUZPEIVQHLR-UHFFFAOYSA-N	309.329	1.325	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Cc2cccc(F)c2F)c1	132672392	IZFWSTMPIVXQQM-UHFFFAOYSA-N	315.279	1.840	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1Cc1ccccc1)c1ccncc1	194035391	RJRKVVTZSHBSLH-INIZCTEOSA-N	324.384	1.507	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cc2cc(F)ccc2s1	194901064	LFBIDHFNAFQHSH-UHFFFAOYSA-N	323.349	1.727	50	20	DDGD	
C[C@]1(NNC(=O)NC2CCCCCCC2)CCS(=O)(=O)C1	42952595	PFOKTSCAGHIDDL-AWEZNQCLSA-N	317.455	1.480	50	20	DDGD	
N#Cc1cccc(NNC(=O)NCCNC(=O)c2ccco2)c1	45562495	HDRHJUCZVVQEME-UHFFFAOYSA-N	313.317	1.207	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2cccc(C#N)c2C)c1	190052296	OQDQQBLVIFZJBD-UHFFFAOYSA-N	309.329	1.652	50	20	DDGD	
O=C(CSCc1cscn1)NNc1nc2ccccn2n1	191906096	QMLGFVLHOMOZIB-UHFFFAOYSA-N	320.403	1.562	50	20	DDGD	
O=C(C[C@H](O)c1cccc(F)c1)NNC(=O)NCc1ccco1	91230076	NSHUYJJWWQBUPT-ZDUSSCGKSA-N	321.308	1.373	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccc(-n3ccnc3)cc2)n1	254300870	SPFJLOTXVHBZEE-UHFFFAOYSA-N	322.372	1.836	50	20	DDGD	
Cc1ccc(OCC(=O)NN=C2C(=O)N(C)c3ccccc32)cc1	254482718	YMRQDRNBOCPIMT-UHFFFAOYSA-N	323.352	1.871	50	20	DDGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCC(NC(N)=O)CC1	267449564	LOXDXEUVELIHJM-LNKIKWGQSA-N	315.333	1.592	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C	268131104	PPLHELNSACVXSD-SWLSCSKDSA-N	316.405	1.422	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C2CCSCC2)cc1	264846811	YEKAENDRHURDBJ-UHFFFAOYSA-N	323.418	1.398	50	20	DDGD	
O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1O)NC1CCCC1	274616708	JOLVYZVEMYLPQZ-UHFFFAOYSA-N	308.294	1.187	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CC(C)C)c(Cl)n1	273419830	JDSGAAVFHBTJMD-UHFFFAOYSA-N	300.746	1.942	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CC[C@@H]1Cc2ccccc2NC1=O	271465212	XSTYEXISLZSNJI-GFCCVEGCSA-N	318.377	1.270	50	20	DDGD	
COc1cc(C=O)ccc1OCCC(=O)NNC(=O)C1CCC1	274765148	OFVZRDCUPWIHIO-UHFFFAOYSA-N	320.345	1.224	50	20	DDGD	
Cc1ccc(CCC(=O)NNC(=O)N2CCN(C)CC2)c(C)c1	278779635	YUHZJMITSMBYNI-UHFFFAOYSA-N	318.421	1.224	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C[C@@](C)(O)c1ccccc1	272690070	VNABBXAEWUAOOY-MRXNPFEDSA-N	301.346	1.084	50	20	DDGD	
CN1CCO[C@@H](C(=O)NNc2cc(Cl)cc(Cl)c2)C1	276843466	JQNQSOWVLOTDOW-LLVKDONJSA-N	304.177	1.767	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1C[C@@]12CCc1ccccc12	369453396	UTBOOHQQKUJDGP-WMLDXEAASA-N	310.357	1.004	50	20	DDGD	
CN1CC[C@H](N(C)C(=O)/C(C#N)=C\c2ccc(F)cc2)C1=O	273172434	HVRGDMSFPXECGZ-UQTJOTSZSA-N	301.321	1.422	50	20	DDGD	
CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)CC2CC2)cc1	274095543	VLHARYDLXOFSQM-UHFFFAOYSA-N	319.361	1.360	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C	274017248	AZZCHBUVBXHCFG-BXKDBHETSA-N	316.317	1.157	50	20	DDGD	
CO[C@@H](CN)CC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	278232788	RUHWQNKQPUVVOR-MRVPVSSYSA-N	302.718	1.055	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)o1	370257949	ZOWDOOPWFKTGAK-CYZMBNFOSA-N	321.377	1.736	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)COC(C)(C)C)cc1OC	272506179	JMADVWIHCSVLAU-UHFFFAOYSA-N	324.377	1.670	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@]2(O)CCc3ccccc3C2)o1	375070889	PKOKRENKHYUMBE-QGZVFWFLSA-N	314.341	1.269	50	20	DDGD	
COC(=O)N(C)NC(=O)Cc1ccc(Br)c(F)c1	286460623	SYBYNATUSOJWLN-UHFFFAOYSA-N	319.130	1.860	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccnc1-c1cnn(C)c1	372795311	ZVYTZGNDCYQWHM-JTQLQIEISA-N	316.365	1.681	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	284943592	JZFGZDYXLWAUPX-BMIGLBTASA-N	307.325	1.680	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H](C)C(F)(F)F	288923994	SLLLQTCAJWSVKR-ZETCQYMHSA-N	305.256	1.590	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)C(=O)Nc1ccccc1	287345571	ZBPYUBDKWSGYKX-UHFFFAOYSA-N	311.345	1.826	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)nn1	288105915	XJORRAOOZVHUQJ-GRYCIOLGSA-N	317.393	1.625	50	20	DDGD	
COC[C@@H](C)CNC(=O)NNc1ccc2c(O)nccc2c1	287390168	JFQMRNJVRPXUSZ-JTQLQIEISA-N	304.350	1.849	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1c[nH]c2cccc(F)c12	281704438	ANROFFUIPAWLHE-UHFFFAOYSA-N	314.342	1.162	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2(OC)CCOCC2)c1	285898729	UUNBUXFRTKTUKS-UHFFFAOYSA-N	308.334	1.112	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NCCSSC)cc1F	285381016	VMHNDAALIRZFDT-UHFFFAOYSA-N	318.395	1.900	50	20	DDGD	
CC(C)(C(=O)NNc1ccc([N+](=O)[O-])cc1)N1CCOCC1	283159452	JXAZIBGYZAPOKS-UHFFFAOYSA-N	308.338	1.149	50	20	DDGD	
COc1ccc(C(=O)NNc2cccc(F)n2)cc1OCCO	804770813	TVSDNRFAFOIIBW-UHFFFAOYSA-N	321.308	1.357	50	20	DDGD	
CCOc1ccc(NNC(=O)CCNC(=O)c2ccco2)cc1	294350531	NICGOODPVJCWEI-UHFFFAOYSA-N	317.345	1.942	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2ncncc2F)C12CCCC2	292700727	OBTHTNJWNOTHLH-NWDGAFQWSA-N	323.372	1.980	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1sccc1-n1cccc1	295266621	BMOXZBSKBZACAQ-LBPRGKRZSA-N	319.386	1.869	50	20	DDGD	
CN(NC(=O)CCC(=O)c1cnn(C)c1)C(=O)OC(C)(C)C	297339953	SKVDZSQCSLXPCM-UHFFFAOYSA-N	310.354	1.281	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)c2cc3c(s2)CCC3)O1	800315647	ZMKGMANFBWQAKX-KKFJDGPESA-N	308.403	1.811	50	20	DDGD	
COCCN(C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F	297073171	LQDKHNKXEXADET-UHFFFAOYSA-N	319.264	1.419	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c(Cl)n1	294036726	XXTXRTFILFZYQA-ONGXEEELSA-N	311.769	1.301	50	20	DDGD	
CCOC1(C(=O)NNC(=O)C(C)(OCC)OCC)CCCC1	807372039	WQTGZSPLEIYNMD-UHFFFAOYSA-N	316.398	1.272	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NN=Cc2cc(F)ncc2F)c1	807978917	HWLOTOCFXITTDO-UHFFFAOYSA-N	319.271	1.477	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ncoc1C(C)C	807368550	IRNFPMWDUAQUCL-UHFFFAOYSA-N	313.354	1.348	50	20	DDGD	
CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NNc1ccncn1	295781956	DKZMYHWAQNKNJP-LLVKDONJSA-N	321.381	1.709	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CC2)c2c(C(C)C)noc2n1	299236991	OJKGOCLNMVCDKJ-UHFFFAOYSA-N	302.334	1.826	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cc(C#N)oc2C)cc1	802058438	FIXHMWJHMHDGKZ-UHFFFAOYSA-N	314.301	1.935	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc(C2OCCO2)c1	808851079	POIHXRVMEIAZLS-SNVBAGLBSA-N	307.350	1.931	50	20	DDGD	
C[C@@H](NC(=O)c1cccs1)C(=O)NNc1cccc(F)n1	804767354	JDHIRAHMDWQNOT-MRVPVSSYSA-N	308.338	1.544	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2C)c(Cl)c1	802051263	VJIMWPUWSDTCEB-LLVKDONJSA-N	324.768	1.422	50	20	DDGD	
Cc1cc(Cl)ncc1NC(=O)NNC(=O)[C@@H]1CCCCO1	297165020	RUDSKEMJUYZGNC-JTQLQIEISA-N	312.757	1.765	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)CNC(=O)c2cccnc2)c2ccccc21	807976668	QKJHZETWQUUGNR-GFCCVEGCSA-N	322.368	1.839	50	20	DDGD	
COCCN(C)NC(=O)c1cc(C)cc(Br)c1	296951203	CGYFIWYXSZSTLG-UHFFFAOYSA-N	301.184	1.981	50	20	DDGD	
O=C(CCCOc1ccccc1)NNC(=O)N=c1cc[nH]cc1	802033299	SBEJPYZIVSJXLA-UHFFFAOYSA-N	314.345	1.515	50	20	DDGD	
O=C(Cn1cnc2sccc2c1=O)NNc1ncccc1F	804219990	KKPXOCGPALFPNV-UHFFFAOYSA-N	319.321	1.135	50	20	DDGD	
CCC1(NCC(=O)NNC(=O)Cc2nc(C)cs2)CCCC1	296340517	PVGPIZYTHZYCOW-UHFFFAOYSA-N	324.450	1.454	50	20	DDGD	
C[C@H]1CCCN(C(=O)C(=O)NNc2nccc3sccc23)C1	802542067	AFXXNLHTNLXEPP-JTQLQIEISA-N	318.402	1.998	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc(F)c(F)c(F)c2F)O1	293770734	ASCNRIJVMUYZCZ-XNCJUZBTSA-N	320.242	1.572	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)C(=O)c1ccc(Cl)cc1	802024574	QTNJRACACLWJNG-UHFFFAOYSA-N	318.720	1.193	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C)c1O	819845299	FWZOWPPORZUUSA-WDEREUQCSA-N	306.362	1.988	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNc2ncccc2F)nc1	816640964	CZOLLQFLGDSAOI-UHFFFAOYSA-N	304.281	1.549	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ncnc3ccsc23)[nH]1	815827991	XJMRYRDBLFXCHG-UHFFFAOYSA-N	317.330	1.563	50	20	DDGD	
C=C(C)COCCNC(=O)NNc1cccc(-c2nn[nH]n2)c1	819722180	BFWHEFHFQOYEMD-UHFFFAOYSA-N	317.353	1.086	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CCc2cncs2)cc1	814407859	ONXXRXIQULSMBA-UHFFFAOYSA-N	300.343	1.409	50	20	DDGD	
COCC(=O)NN=C(C)c1nnn(-c2ccc(F)cc2)c1C	814872527	PICYWZWXOPTPKO-UHFFFAOYSA-N	305.313	1.201	50	20	DDGD	
Cc1cc2c(cc1C)[C@@H](C(=O)NNc1ncncc1F)CO2	817080899	JPUDICZAKFYHGW-NSHDSACASA-N	302.309	1.852	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)[C@@H]2C[C@@H]2C2CC2)cc1	812727485	SFCVUFMMTKGWFY-ZIAGYGMSSA-N	323.418	1.426	50	20	DDGD	
CC1(C)CC(=NNC(=O)C(=O)NC2CC2)c2sccc2O1	814778005	MCQCTJDLAKHKPN-UHFFFAOYSA-N	307.375	1.408	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1cc(-c2ccccc2Cl)on1	816632839	BAHRCPZTLATHOV-UHFFFAOYSA-N	304.697	1.870	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)C(=O)Nc2ccc(C#N)cn2)c1	815602855	MOIOLNWWXNDJOQ-UHFFFAOYSA-N	313.292	1.483	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@@H](NC=O)C(C)C)nc12	828351881	AAPUZMVFMJUPTI-NSHDSACASA-N	306.391	1.818	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCc1cc2ccccc2nc1O	823940561	ZNGYCLUJAZBJQJ-NSHDSACASA-N	303.362	1.217	50	20	DDGD	
CCN(CCO)NC(=O)c1cnn(-c2ccc(C)cc2)c1C	823842726	VRBUBFFCBCRREL-UHFFFAOYSA-N	302.378	1.448	50	20	DDGD	
CCN(CCO)NC(=O)c1nn(-c2ccccc2Cl)cc1C	823869744	OXJADIQMLAPOSA-UHFFFAOYSA-N	322.796	1.793	50	20	DDGD	
CN(NS(=O)(=O)c1cccc(F)c1)C(=O)OC(C)(C)C	495938797	AVFNRAZTAIAVBT-UHFFFAOYSA-N	304.343	1.886	50	20	DDGD	
CC(C)C[C@@H]1C[C@H]1C(=O)NNC(=O)[C@H]1COc2ccccc2O1	822192710	XVDWQZIOPXNJMI-LALPHHSUSA-N	318.373	1.656	50	20	DDGD	
COc1cc(O)ncc1C(=O)NC[C@@]1(C)C[C@@H]1Br	826859166	PFUITFHTZNROKE-JOYOIKCWSA-N	315.167	1.699	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@@H]2CC23CCSCC3)n1	825987395	KOQIUKOKZBKTOE-JTQLQIEISA-N	307.423	1.519	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCC1(NC(=O)OC(C)(C)C)CCC1	490839501	DDXAJLHUBAPQDV-BENRWUELSA-N	323.393	1.994	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N(C)[C@@H](C)c1cccs1	827315048	NDHBUNTXRZKKMU-GARJFASQSA-N	311.407	1.907	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCC[C@@H]2[C@H]2CCCOC2)cn1	491087743	XSDORNCUIKFPPH-VLYJJQRNSA-N	314.389	1.745	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NC[C@@H](O)COCC1CC1	491047433	IUTIEMZXGOOORP-ACQAZONXSA-N	316.357	1.203	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNC(=O)CCc1ccc(OC)cc1	491723417	BIXSITMJWZPYSW-CQSZACIVSA-N	317.389	1.760	50	20	DDGD	
COC(=O)N(C)CCNC(=O)NNc1ccc(Cl)nc1	822790129	VDKOGDFZPHZRCH-UHFFFAOYSA-N	301.734	1.059	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@H]1CCS[C@H]1C	827643216	KBXLBBUUOOIIQZ-JQWIXIFHSA-N	323.418	1.462	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNC(=O)Cc1ccccc1C)C(C)(C)C	826981992	BUQCLUWMSIJBTL-OAHLLOKOSA-N	319.405	1.236	50	20	DDGD	
Cc1ccc(F)c(C(=O)NN(C)[C@H](C)CO)c1Br	823927650	CKFOVSJRVNNDCD-MRVPVSSYSA-N	319.174	1.854	50	20	DDGD	
COc1ccc(C(=O)NN(C)[C@@H](C)CO)cc1Br	823987382	GYEAUWMWWWGHDU-QMMMGPOBSA-N	317.183	1.415	50	20	DDGD	
Cc1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)s1	826282158	ALKDCWPGVGFZII-UHFFFAOYSA-N	300.347	1.994	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ncn1	493628942	IWUULFIEHXRIJS-LBPRGKRZSA-N	323.397	1.777	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-]	822800267	SXBWQVOSAGJMFA-UHFFFAOYSA-N	314.273	1.097	50	20	DDGD	
Cc1c(Br)ccc(C(=O)NN(C)[C@@H](C)CO)c1F	823928117	LCFMEBHBYSLYQJ-ZETCQYMHSA-N	319.174	1.854	50	20	DDGD	
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NN(C)C(=O)OC	495625607	MLRVLGRAHAONCF-LLVKDONJSA-N	309.322	1.893	50	20	DDGD	
CC[C@@H](OC)C(=O)NNC(=S)Nc1ccc(OC)c(F)c1	822645169	RIFAAFSDNICVKL-SNVBAGLBSA-N	315.370	1.577	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNC(=O)Cc1ccc(Cl)cc1	822212469	REZVKIBKCICJIQ-LLVKDONJSA-N	316.810	1.144	50	20	DDGD	
Cc1cc(F)ccc1CCNCc1ccc(B(O)O)cc1F	585028507	MLHYXYOJUNATJM-UHFFFAOYSA-N	305.133	1.285	50	20	DDGD	
O=C(NNc1ccccc1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1	826449116	CDHAPEPFSJALSR-CYBMUJFWSA-N	310.317	1.043	50	20	DDGD	
O=C(CCc1nccs1)NNc1ccc(-c2nn[nH]n2)cc1	826409393	WYJDZRDOZYJLFP-UHFFFAOYSA-N	315.362	1.399	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)/C=C\c2ccco2)c1	588388490	PXGZQXJWJPHZOC-FPLPWBNLSA-N	306.343	1.840	50	20	DDGD	
CC(C)CN(CCc1ccccc1)CC(=O)NNC(=O)C(C)C	827501446	RJUKWANSBYRVIL-UHFFFAOYSA-N	319.449	1.991	50	20	DDGD	
C[C@H](CN1CCCCC1)NC(=O)/C(C#N)=C/c1cnn(C)c1	491011170	OAJLXSIZJXQANS-MGMWDDNKSA-N	301.394	1.318	50	20	DDGD	
CCc1ccccc1-n1cc(O)c(C(=O)NN(C)[C@@H](C)CO)n1	823912424	FUQQEPVANZLWLC-NSHDSACASA-N	318.377	1.098	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC[C@@H](C2CCCC2)C1	827261042	ZOUXVKUZYWSHOA-IACUBPJLSA-N	309.410	1.664	50	20	DDGD	
CCC[C@H](C)C(=O)NCCNC(=O)[C@@]1(C)C[C@H]1Br	908381496	NTCKILMDJFTNIQ-CWSCBRNRSA-N	319.243	1.829	50	20	DDGD	
COCCOc1ccc(C=NNC(=O)c2cccc(C)n2)o1	901235014	CKIDBCMBHKWETK-UHFFFAOYSA-N	303.318	1.772	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](CC)c1ccccc1OC	731281149	WNXWADBAJQJIHK-GFCCVEGCSA-N	309.366	1.513	50	20	DDGD	
OB(O)c1cccc(-c2noc(CCSC3CCCC3)n2)c1	585051936	POTFEOHVVKVJJT-UHFFFAOYSA-N	318.207	1.635	50	20	DDGD	
C#C[C@H](NC(=O)NNc1ccc(C(=O)OC)c(F)c1)C(C)C	491749225	USVCUPYMRFLCBP-ZDUSSCGKSA-N	307.325	1.896	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CNC(=O)C2)c1C	490844724	RDYUDMCKKVNQPV-GSHXUFRSSA-N	314.389	1.427	50	20	DDGD	
Cc1ccc2cc(C(=O)NNC(=O)[C@H]3CCCCO3)[nH]c2c1	833257621	XMBQKQUIZZOKOR-CQSZACIVSA-N	301.346	1.806	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)NCCc2cccs2)no1	900384146	AHYFGOHCNQVNHP-UHFFFAOYSA-N	308.363	1.485	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	584912198	LOHNGQMLHCOMHV-VDQHWBOFSA-N	317.169	1.613	50	20	DDGD	
COc1ccc(NCC(=O)NN=C2C[C@@H](C)n3ccnc32)cc1	834920565	MHZZGJKTGXUWGC-LLVKDONJSA-N	313.361	1.789	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1[N+](=O)[O-]	831046859	HVOVDVNZZYRAEF-KOLCDFICSA-N	322.321	1.481	50	20	DDGD	
CN1CC[C@H](NC(=O)/C(C#N)=C/c2ccc(F)cc2)CC1=O	588613601	KFBIARKXOUGCFT-BCNIOPEESA-N	301.321	1.470	50	20	DDGD	
CCn1ccnc1[C@H](C)NC(=O)NNc1nc2ccccn2n1	838688778	PQILUTZYYBTABP-JTQLQIEISA-N	314.353	1.333	50	20	DDGD	
NC(=O)CSc1ccccc1NC(=O)NNC(=O)C1CCC1	732444283	RRCJFAROQYTNDJ-UHFFFAOYSA-N	322.390	1.217	50	20	DDGD	
CCC[C@H]1CCCC[C@@H]1NC(=O)c1cc(B(O)O)ccc1F	584945572	ZURODPJDVHYHBW-NHYWBVRUSA-N	307.174	1.594	50	20	DDGD	
COCCN(C)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	837621594	KGYXIVZRWVQTEH-GFCCVEGCSA-N	317.430	1.535	50	20	DDGD	
Cc1nc2c(s1)CCC[C@@H]2CNCc1ccccc1B(O)O	585038817	IIBJGNFQJJNOCO-CYBMUJFWSA-N	316.235	1.341	50	20	DDGD	
CC(C)c1ncsc1NC(=O)NNC(=O)c1cnn(C)c1	836743896	YCHNYKPOPASBJR-UHFFFAOYSA-N	308.367	1.467	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2ccc(C#N)cc2)C[C@H]1Br	906458957	IBLISCJHMBODLL-MFKMUULPSA-N	322.162	1.493	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc(C(=O)OC)cc1F	901416809	GTHGMHCWQSFJPN-GHXNOFRVSA-N	306.293	1.282	50	20	DDGD	
COc1c(C(=O)NNC(=O)CCc2ccccc2)c(C)nn1C	732757331	QDEDVGMENAQOCX-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
O=C(CCCc1ccccc1)NN=C1CCCS(=O)(=O)C1	731926732	PUFXIIZKFAAUJW-UHFFFAOYSA-N	308.403	1.690	50	20	DDGD	
CO[C@@H]1CC(=NNC(=O)CNC(=O)c2cccs2)C12CCC2	834952047	KECVGYXDJVFABD-GFCCVEGCSA-N	321.402	1.539	50	20	DDGD	
CO[C@H](COc1ccc(B(O)O)cc1)Cc1ccc(F)cc1	584909504	FHQWAMNRVGYDNZ-INIZCTEOSA-N	304.126	1.142	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cnn(C)c2)c(Cl)c1	735445148	KHKXNBKTHQHOEJ-UHFFFAOYSA-N	308.725	1.157	50	20	DDGD	
C[C@@]1(CNC(=O)NC[C@@]2(C)CCOC2)C[C@@H]1Br	856833514	OMEZNCRVNPPECE-WCQGTBRESA-N	305.216	1.886	50	20	DDGD	
O=S(=O)(CCl)N1CCC(c2ncc3n2CCCC3)CC1	831315201	SWXVVHGAPAFLNT-UHFFFAOYSA-N	317.842	1.925	50	20	DDGD	
CN(C)C(=O)[C@@H]1CCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C1	839641495	VADSWJDFOFJPCV-WXYNBALXSA-N	314.345	1.869	50	20	DDGD	
Cc1ccc2[nH]cc(C=NNC(=O)CNC(=O)c3ccco3)c2c1	735614302	SKGUUOPFZPXBGL-UHFFFAOYSA-N	324.340	1.949	50	20	DDGD	
Cc1csc([C@@H](NC(=O)c2ccc(B(O)O)cc2)C2CC2)n1	584951054	HTRFJTIVGNXREH-ZDUSSCGKSA-N	316.191	1.012	50	20	DDGD	
CC(C)C[C@H](NC(=O)O)C(=O)NNc1cccc([N+](=O)[O-])c1	833477957	BLPAZGQNCZSUGO-NSHDSACASA-N	310.310	1.720	50	20	DDGD	
C[C@H](CBr)CN1CCC[C@H](NC(=O)N(C)C)C1	832551112	ZBBZCKSDUNWSRV-MNOVXSKESA-N	306.248	1.753	50	20	DDGD	
C[C@@H](CN1CCCCCC1)C(=O)NN=C1CN2CCC1CC2	915050030	ZMIRBUJQVFFPDE-AWEZNQCLSA-N	306.454	1.696	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CC[C@H](C3CCC3)C2)c1	839679507	HKHGZUHNLUTQRC-INIZCTEOSA-N	315.417	1.878	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@H](c1ccccc1)N1CCSCC1	910170159	ZKAABEZLNYEWRV-HIFRSBDPSA-N	323.462	1.120	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)Nc1ccc2ncnn2c1	836738199	IVPKYBRDEYCDOP-UHFFFAOYSA-N	324.348	1.935	50	20	DDGD	
CCCNC(=O)NNC(=O)CSc1nccn1C(C)(C)C	749585025	QCJAHFFGVRXQMK-UHFFFAOYSA-N	313.427	1.471	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccc(NC2CC2)nc1	747209750	YFWLFGRKBMBOPA-UHFFFAOYSA-N	302.256	1.369	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H]([C@H]1CCCO1)C1(CO)CCC1	912203869	CBFHJIQKPGKXLE-HVDISPMTSA-N	308.378	1.257	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCC[C@]1(O)CCCOC1	846596909	OOEHTUWWZLGLHR-ZWNOBZJWSA-N	322.243	1.844	50	20	DDGD	
O=C(O)[C@@H](Cc1ccncc1)NS(=O)(=O)CCCCCl	846775155	WHGVVUKVQVZYMF-LLVKDONJSA-N	320.798	1.016	50	20	DDGD	
NNC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1	841013649	HMDPGUJSCNNWJH-UHFFFAOYSA-N	312.395	1.247	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCCOc1ccc(F)cc1	843644057	OBMGIYZYVYMINV-RISCZKNCSA-N	324.352	1.557	50	20	DDGD	
O=C(NNc1c(F)cccc1F)N[C@H]1CCN(CC(F)F)C1	842196214	LWORRLPPUOODBG-QMMMGPOBSA-N	320.290	1.930	50	20	DDGD	
CC[C@@](O)(CC(=O)NNC(=O)NC1CCCC1)c1ccccc1	840292621	GVXRALLHXJTQRO-QGZVFWFLSA-N	319.405	1.947	50	20	DDGD	
O=C(NNC(=S)NC1CCOCC1)c1cccc(Cl)n1	849298362	DBFXRAFVMQDZIJ-UHFFFAOYSA-N	314.798	1.023	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H]2CCCS(=O)(=O)C2)cc1	846225586	PJNMLMRRVZXBBB-NSHDSACASA-N	312.391	1.353	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@H]1CCc2cncn2C1	844137181	JSXGEHMUHBJYDK-VIFPVBQESA-N	314.374	1.594	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CN(C)c2ccc(Cl)cn2)n1	919700788	SZFFIBFAKQVHRP-UHFFFAOYSA-N	320.784	1.721	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cncc3ccccc23)n1	917678995	ACTKQAYFTCXGCY-UHFFFAOYSA-N	323.356	1.509	50	20	DDGD	
O=C(NCC[C@H]1CCNC1)NNC(=O)c1cccc(Cl)c1	841939247	UHCXZTBIGPAHEJ-SNVBAGLBSA-N	310.785	1.284	50	20	DDGD	
CO[C@@H](C=NNC(=O)Cn1ccc2ccccc21)[C@H]1CCOC1	841624764	WZTXFJTWJONTPB-HOCLYGCPSA-N	315.373	1.795	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)Cc2ccsc2)cc1	743274233	UWMNRRPDIACZEH-UHFFFAOYSA-N	317.414	1.950	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)cc1	846374402	OHBXGCSLVQDAGA-HZSPNIEDSA-N	304.346	1.413	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)[C@H]1CCO[C@H]1C)OCO2	842550998	BBXIVFCIPAQWFZ-ONGXEEELSA-N	306.318	1.299	50	20	DDGD	
COc1cc(/C=C(/C#N)S(C)(=O)=O)ccc1OCC(=O)O	916132767	OKJHYUZGZNJYEH-YHYXMXQVSA-N	311.315	1.068	50	20	DDGD	
CC(C)C(=O)NN=Cc1ccccc1OCC(=O)N1CCCC1	916327242	GUEBGWFXJLLKKE-UHFFFAOYSA-N	317.389	1.794	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@@H]1CCCN2CCCC[C@@H]12	848508665	PIQQHNZKZHJRJB-OLZOCXBDSA-N	308.875	1.942	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H](C)Oc1ccc(SC)cc1	740819978	MCPYNSCFALLGCM-JTQLQIEISA-N	311.407	1.916	50	20	DDGD	
CCCC(O)(CCC)CC(=O)NNC(=O)[C@H]1CCO[C@H]1C	843972329	AMZGBRHVUZCYPT-RYUDHWBXSA-N	300.399	1.280	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccnc(F)c1	745477219	VLRAYXUKPVCGNB-VIFPVBQESA-N	321.283	1.588	50	20	DDGD	
CCC(=NNC(=O)Cn1cnc2ccccc21)c1cnn(C)c1	741805962	XZESWJXEXFUAFO-UHFFFAOYSA-N	310.361	1.700	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccc(Cl)cc1)[C@H]1CCCNC1	841929607	WQTDNVOUSHOPFX-PWSUYJOCSA-N	324.812	1.672	50	20	DDGD	
C[C@@H]1COC[C@H]1NC(=O)NNC(=O)c1cc2c(s1)CCC2	925990113	FXCDHQJDPAQBRK-PSASIEDQSA-N	309.391	1.216	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@H]1CCN2CCCC[C@H]12	856841159	CHRUBCIICUMFFN-WDEREUQCSA-N	310.789	1.383	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1cc(F)ccc1O	758387185	HHOLAIFGPIJIAZ-UHFFFAOYSA-N	316.292	1.405	50	20	DDGD	
CC[C@@H](C)C(=O)NN=Cc1ccc(OCC(=O)O)c(OC)c1	755650954	PHEGXUYPBRJFTP-SNVBAGLBSA-N	308.334	1.655	50	20	DDGD	
CCCCn1ncc(NC(=O)NNC(=O)c2c[nH]nc2C)c1C	757747749	AJAIOFWVTAUTFN-UHFFFAOYSA-N	319.369	1.490	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2c[nH]nc2-c2ccncc2)o1	752779241	GZWSWEUNVYYASZ-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
CCCNC(=O)NNC(=O)Cc1c(C)nn(C(F)F)c1C	921038621	WRRYLGIADHDXDE-UHFFFAOYSA-N	303.313	1.178	50	20	DDGD	
C#CCSCCNC(=O)NNc1ccc([N+](=O)[O-])cc1F	853774117	IAOFCXFHGYEHAI-UHFFFAOYSA-N	312.326	1.726	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1cnn(C2CC2)c1	858782534	XGWJOHXRGNEDOJ-UHFFFAOYSA-N	319.390	1.466	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NC[C@@]1(C)C[C@H]1Br	857689421	LAPJNJVMXNDVCJ-RDDDGLTNSA-N	307.188	1.411	50	20	DDGD	
COC1(C(=O)NNC(=O)COCc2ccccc2)CCCC1	754249447	ZCKRZVVBPOCDQT-UHFFFAOYSA-N	306.362	1.310	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cc1n[nH]c2c1CCCC2)C1CC1	855099766	MTNOUZBZGDYZAA-VIFPVBQESA-N	321.450	1.125	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cc(Cl)ccc1F	753707285	FWMBFZRDERQIJV-VIFPVBQESA-N	302.733	1.981	50	20	DDGD	
O=C(Cc1ccccc1O[C@@H]1CCOC1)NNc1cnccn1	857488384	FIUMBSDRTJCOFY-CYBMUJFWSA-N	314.345	1.330	50	20	DDGD	
CN(C)[C@H]1CCCC(=NNC(=O)CCCNC(=O)C(C)(C)C)C1	853408193	LXMPGSHYOGLUNZ-AWEZNQCLSA-N	324.469	1.905	50	20	DDGD	
Cn1cc2c(n1)CCCC2=NNC(=O)c1cccc(Cl)n1	853410722	WJVQRXFFYVOBHH-UHFFFAOYSA-N	303.753	1.939	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)CCCc1cccnc1)C1CC1	855095931	TYKUGQZOVXZVSB-LLVKDONJSA-N	306.435	1.698	50	20	DDGD	
COC(C)(C)C[C@@H](C)NC(=O)NNc1ncc(Cl)cn1	856870368	OUXCHEPLEMHNIQ-MRVPVSSYSA-N	301.778	1.960	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1cccc(NS(C)(=O)=O)c1	853006624	HNOTXWAUWSARLG-WQLSENKSSA-N	314.388	1.357	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)c2cc3c(s2)CCC3)O1	756900378	ZUDISOLZOTVORU-MNOVXSKESA-N	308.403	1.955	50	20	DDGD	
C[C@]1(CNC(=O)CCN2CCOC2=O)C[C@@H]1Br	857401411	LVITUVPSOACTTI-GZMMTYOYSA-N	305.172	1.118	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)OCC(F)(F)F)n(C)c1C	853429494	LELSARYRMLISEE-UHFFFAOYSA-N	321.255	1.743	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)N[C@H]2COC[C@H]2C)c1	925991433	ONLQEHDJSMXDRD-OCCSQVGLSA-N	321.377	1.048	50	20	DDGD	
CCO[C@@H]1COC[C@H]1NC(=O)NNc1ccc(Cl)cn1	852375295	ZQAYXKFEFDLGTQ-NXEZZACHSA-N	300.746	1.165	50	20	DDGD	
O=C(CNc1ccccc1)NN=Cc1cc2c(cc1O)OCO2	920362709	HKZKKNUKFSFFNY-UHFFFAOYSA-N	313.313	1.683	50	20	DDGD	
C[C@@H](Sc1ccccn1)C(=O)NNC(=S)N[C@H](C)C1CC1	855098003	CPZDEWRVJVRCTR-NXEZZACHSA-N	324.475	1.856	50	20	DDGD	
COC(=O)CCCNC(=O)NNc1ccc([N+](=O)[O-])cc1F	853234489	RGCWWPBSMVIKQC-UHFFFAOYSA-N	314.273	1.313	50	20	DDGD	
Cn1cnc2c(C(=O)NC[C@@]3(C)C[C@H]3Br)ccnc21	857388491	SWAGJCKGQJPWAF-NOZJJQNGSA-N	323.194	1.872	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(Cl)c2ncccc12	755614210	DUYJFNOEEDVUDM-UHFFFAOYSA-N	308.725	1.687	50	20	DDGD	
COc1ccc2c(c1)[C@H](C(=O)NNC(=O)NCC1CC1)CC2	761623971	JNWWGHCYYJXSGD-CYBMUJFWSA-N	303.362	1.465	50	20	DDGD	
COCCOCC(=O)NNC(=S)Nc1ccc(Cl)cc1	865244377	OAYXYATTYKOCLA-UHFFFAOYSA-N	317.798	1.321	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1cc(-c2nc(C)co2)ccc1C	763516203	ZYFVPEKOBZYYOI-UHFFFAOYSA-N	316.317	1.064	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccn([C@@H](C)COC)n1	930991696	GRSFDGZNMAXKAZ-NSHDSACASA-N	307.354	1.047	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(F)(F)F	862307893	SCZSQGGQQQPOPL-VHSXEESVSA-N	315.295	1.611	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)c2cc(C)cs2)C1	862476222	MLCHYLXRRNBLIW-WDEREUQCSA-N	324.402	1.797	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)cc[nH]1	862510640	NYHGTCHFSGORQW-ZDUSSCGKSA-N	318.421	1.540	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1c(F)cc(Cl)cc1F	763816808	QHWSJJGQJLLIES-UHFFFAOYSA-N	319.695	1.360	50	20	DDGD	
CCCCC[C@H](C(=O)NNC(=O)CS(C)(=O)=O)C(C)C	863462154	JAPPTWJRIMAHIC-NSHDSACASA-N	306.428	1.031	50	20	DDGD	
C[C@@H](C(=O)NNc1ncc(F)cn1)c1cccc([N+](=O)[O-])c1	762190397	XJSVRUPDZJEOLT-MRVPVSSYSA-N	305.269	1.771	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)NCC1CC1)c1cccc([N+](=O)[O-])c1	761623239	BFCJPHLNHDBYOH-SECBINFHSA-N	306.322	1.439	50	20	DDGD	
Cc1cnc(CCNS(=O)(=O)CC(C)(C)CCl)cn1	867376378	BDTQPUNAKLMRJR-UHFFFAOYSA-N	305.831	1.512	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H]2CC(=O)NNC(=O)NC1CC1	760382750	RUBRXIGJQWSBQK-VIFPVBQESA-N	305.334	1.054	50	20	DDGD	
O=C(NNc1cccc(Cl)c1)c1ccc2nnc(O)n2c1	762945148	QBRKOFLHCAXSQH-UHFFFAOYSA-N	303.709	1.845	50	20	DDGD	
CC(=O)c1cccc(NC(=O)NNC(=O)C2CCNCC2)c1	1118788096	FJBSFNHHRVTQAL-UHFFFAOYSA-N	304.350	1.042	50	20	DDGD	
CCCC1(C(=O)NNc2nccc(N3CCOCC3)n2)CCC1	762868724	QFHRTRITDJHRAF-UHFFFAOYSA-N	319.409	1.727	50	20	DDGD	
Cc1cc(NNC(=O)c2c3c(nn2C)CCCC3)nc(C)n1	768132982	RPCMZGRRKFMJKE-UHFFFAOYSA-N	300.366	1.463	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)CNc2ccccc2)c1C	878018732	XWXAGZXAAVYVSJ-UHFFFAOYSA-N	301.350	1.085	50	20	DDGD	
CC(C)CC[C@H](N)C(=O)NNc1ncc(Br)cn1	876955331	WBGSLLHNVFMLPA-VIFPVBQESA-N	316.203	1.446	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)C2(C)COC2)cc1	874952886	KUXAFINPEGEEOY-UHFFFAOYSA-N	308.407	1.107	50	20	DDGD	
CCCN1CCC[C@@H]1C(=O)NNC(=S)Nc1ccccn1	874956905	SOKVDHINDUKFQS-LLVKDONJSA-N	307.423	1.274	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)C(C)(C)c1ccccc1	775844208	YDVOOAAPXINALP-UHFFFAOYSA-N	300.362	1.642	50	20	DDGD	
COC(=O)NCCCC(=O)NNC(=S)Nc1cccc(C)c1	873774720	TYUQGWQBGYUXCM-UHFFFAOYSA-N	324.406	1.449	50	20	DDGD	
Cc1nnc(CNC(=O)NNC(=O)c2cc3ccccc3o2)o1	1116211855	ACZPNUMZJZERGA-UHFFFAOYSA-N	315.289	1.268	50	20	DDGD	
CC(CCn1cccn1)=NNC(=O)Cc1nc2ccccc2n1C	776760163	MCKGPJXTONNAIT-UHFFFAOYSA-N	324.388	1.895	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H]2CCOC3(CCCC3)C2)cc[nH]1	875395461	YFHWNBUUYKOTOD-CQSZACIVSA-N	304.394	1.930	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H](C)c2cnccc2C)n1	771439908	MMQKXLMMJJDLGQ-JTQLQIEISA-N	302.338	1.576	50	20	DDGD	
O=C(CC[C@H]1CCCNC1)NNc1ncnc2ccsc12	1118753480	VLGZXJWHXZTMIY-SNVBAGLBSA-N	305.407	1.914	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)CSc2ccc(C)cc2)C1	875906267	LMLDACVGHJPFLY-HAQNSBGRSA-N	323.418	1.595	50	20	DDGD	
O=C(NNC(=O)c1cc(O)nc(C2CC2)c1)NC1CCCC1	771288964	JVHGSIDSFTUAKZ-UHFFFAOYSA-N	304.350	1.551	50	20	DDGD	
O=S(=O)(CCCCl)NCCN1CCCc2ccccc21	881796192	VEAUOVDELULJLS-UHFFFAOYSA-N	316.854	1.988	50	20	DDGD	
CCNC(=O)c1cccc(OS(=O)(=O)CCCCl)c1	881848310	XFRLQLUPKTZDEV-UHFFFAOYSA-N	305.783	1.774	50	20	DDGD	
Cc1cc(C)c2c(c1)CN(CC(=O)NNC(=O)C1CC1)CC2	776855826	HIFFLJBQOAJPPX-UHFFFAOYSA-N	301.390	1.219	50	20	DDGD	
CCn1ncc(C(=O)NNc2ncc(Cl)cn2)c1C1CC1	880802627	PZSSBQUQWHHRMX-UHFFFAOYSA-N	306.757	1.981	50	20	DDGD	
O=C(CNC(=O)c1cccc(O)c1)NNc1ccc(F)cc1	771609657	FXIMOBCXSSIHKC-UHFFFAOYSA-N	303.293	1.404	50	20	DDGD	
COCc1ccccc1S(=O)(=O)NNC(=O)CC(C)(C)C	778563571	SIBGOAKIPMFKPJ-UHFFFAOYSA-N	314.407	1.579	50	20	DDGD	
O=C1[C@@H](NS(=O)(=O)CCCCl)CCN1C1CCCCC1	881996801	IXRDFVRWOYJYCA-LBPRGKRZSA-N	322.858	1.468	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2ccc(C#N)cn2)CCO[C@@H]1C1CC1	888819705	FEXLWVBDINLDHK-ZBFHGGJFSA-N	315.377	1.785	50	20	DDGD	
CC[C@H]1C[C@@H](CC(=O)NNC(=O)c2cccc(C#N)c2)CCO1	781646860	PPKKCWLURCRHNG-WFASDCNBSA-N	315.373	1.915	50	20	DDGD	
O=S(=O)(CBr)Oc1ccc2cncnc2c1	782478765	IWCUICSZJZNZJU-UHFFFAOYSA-N	303.137	1.691	50	20	DDGD	
COc1cc2c(cc1O)CCN(C(=O)NNC(=O)C(C)(C)C)C2	884138714	WWENRARFBKYVKS-UHFFFAOYSA-N	321.377	1.546	50	20	DDGD	
CN(c1ccc2c(c1)OCO2)S(=O)(=O)CBr	782472123	HUPJTVMMLNTDQH-UHFFFAOYSA-N	308.153	1.534	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCOC2(CCC2)C1)NC1CCCCC1	899940630	SNLMYNRULRKSSW-LBPRGKRZSA-N	309.410	1.999	50	20	DDGD	
COC(C)(C)CC(=O)NNC(=O)c1cc(Cl)ccc1O	787866459	QAMXWGVJXXUAQY-UHFFFAOYSA-N	300.742	1.622	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1ccccc1OCc1ccncc1	785461081	RSTGXVACIGLDKV-UHFFFAOYSA-N	313.357	1.882	50	20	DDGD	
CC(=NNC(=O)c1cccnc1)c1ccc(N2CCNC2=O)cc1	782110691	MCACZDPOLAOACS-UHFFFAOYSA-N	323.356	1.765	50	20	DDGD	
Cc1cnn(C)c1C=NNC(=O)Nc1ccc(N(C)C)cc1	794911333	BWOTZFFPNIYVEM-UHFFFAOYSA-N	300.366	1.950	50	20	DDGD	
Cc1nc(C)c(CCC(=O)NNc2ncccc2C)c(O)n1	791216237	MDULUKSWGJRJGG-UHFFFAOYSA-N	301.350	1.578	50	20	DDGD	
CNC(=O)NNC(=O)c1c(-c2cccc(Cl)c2)noc1C	797711373	JUZPOWNAYBQUTB-UHFFFAOYSA-N	308.725	1.877	50	20	DDGD	
Cc1c(NNC(=O)[C@@H](O)Cc2ccccc2)cccc1[N+](=O)[O-]	793709772	FVHOIZCVSNGEIJ-HNNXBMFYSA-N	315.329	1.950	50	20	DDGD	
Cc1noc([C@H]2CCCN2S(=O)(=O)CCCCCl)n1	796254813	LELMATMPXYXXRO-SNVBAGLBSA-N	307.803	1.864	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)n1	793788976	JTVOMVFAAGEULG-VNMHLEKMSA-N	311.385	1.927	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)NCC1(CC#N)CC1	797562282	ZYMUNSZPAPUONL-UHFFFAOYSA-N	322.390	1.410	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1nnc(NC(C)C)s1	1318613746	LDZHYOHTPWJDLC-ZETCQYMHSA-N	317.440	1.396	50	20	DDGD	
CC(C)c1ccc(C=NNC(=O)C[N+](C)(C)C)cc1[N+](=O)[O-]	1318441542	SVOAWKXNYZXHOV-UHFFFAOYSA-O	307.374	1.875	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1n[nH]c2c1CCCC2)C1CCC1	1325103670	IEGYFZPQWMZNCT-UHFFFAOYSA-N	304.394	1.876	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1Cc2ccc(C)cc2S1	1322097038	LGBXGLQWKVIRQI-GFCCVEGCSA-N	307.444	1.693	50	20	DDGD	
Cn1ccc(NNC(=O)CC2(CNC(=O)OC(C)(C)C)CC2)n1	1325386868	SXZRYTRIDJNPOS-UHFFFAOYSA-N	323.397	1.558	50	20	DDGD	
CC(C)c1cc(NC(=O)C(=O)NNc2ncncc2Cl)no1	1326003201	DJFJXCRKGUXKAN-UHFFFAOYSA-N	324.728	1.323	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)c1cnn(CCF)c1	1322813628	DPQYDGAEPLYYSA-UHFFFAOYSA-N	310.716	1.581	50	20	DDGD	
C[S@@](=O)c1ccc(NC(=O)C(=O)NNc2ccccc2)cc1	1320106441	TUAVKTBVBYIOJX-JOCHJYFZSA-N	317.370	1.506	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2cccc(C(=O)O)c2)CC1	1324925197	TXGAFAUJENOBRU-UHFFFAOYSA-N	317.389	1.957	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)NC/C=C/C1CC1	1325485975	RYDOZLXWJHKUGS-SNAWJCMRSA-N	319.361	1.371	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1scnc1C(F)(F)F	1326741088	FVEGHLMMIROORT-UHFFFAOYSA-N	312.342	1.679	50	20	DDGD	
C[C@H](C(=O)NNc1cncc(Br)c1)n1cncn1	1336791600	UYDMBQZRHVZBSG-SSDOTTSWSA-N	311.143	1.140	50	20	DDGD	
CN(CCCF)C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1350492980	FFPUDTMAXTXSSC-KWQFWETISA-N	309.179	1.094	50	20	DDGD	
O=C(O)c1cc(OC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)ccc1[N+](=O)[O-]	1608857642	USCIPOLZVVEJCL-UPZJHPNMSA-N	305.242	1.424	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Nc2ccc(C(=O)O)cc2)c1	1601116747	MOVSMQRPPGBUBT-UHFFFAOYSA-N	324.296	1.723	50	20	DDGD	
C[C@@H](C(=O)N(c1nc(CC(=O)O)cs1)N(C)C)n1cccn1	1603138983	ZNIQRVSZQRFUCJ-VIFPVBQESA-N	323.378	1.038	50	20	DDGD	
O=C(Cn1cc(C2CC2)cn1)NNc1ccc(C(=O)O)c(F)c1	1601383735	QGISCGSXESGKTG-UHFFFAOYSA-N	318.308	1.741	50	20	DDGD	
CC[C@@H]1CCC[C@H]1NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1604102054	XTLQEMYYKDSRQS-MWLCHTKSSA-N	316.369	1.467	50	20	DDGD	
Cc1cc(C=NNC(=O)NCC(=O)O)c(C)n1C[C@H]1CCCO1	1600185606	SIUFQOMRORHIJD-CYBMUJFWSA-N	322.365	1.002	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@@H]1CCCO1	1609558984	YIDODLJCKRLCAR-JTQLQIEISA-N	308.729	1.142	50	20	DDGD	
CCc1ncncc1C(=O)NNc1ccc(F)c(C(=O)O)c1	1605863871	SUXCJMMPYBOUQG-UHFFFAOYSA-N	304.281	1.633	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)C(=O)O)c2ccccc12	1600416415	CICKQRXZSLTKIR-UHFFFAOYSA-N	301.302	1.063	50	20	DDGD	
O=C(NN=Cc1cc2ccccc2[nH]1)[C@H]1CN2CCC[C@@H]2CO1	1549319730	JGMXWKDLGXNSCP-GDBMZVCRSA-N	312.373	1.481	50	20	DDGD	
C[C@H](NC(=O)NNc1nc2cccnc2s1)[C@H]1CCCNC1	1576211981	BCLOAEAFNUQAKL-UWVGGRQHSA-N	320.422	1.706	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](CN)C1CCCCCC1	1579328969	KLYUHAGYFPTJGE-LBPRGKRZSA-N	307.398	1.474	50	20	DDGD	
CNCCOCCNC(=O)NNc1cc(Cl)ccc1C	1578712437	QGNSGWSDUZEGPM-UHFFFAOYSA-N	300.790	1.511	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)C#N	1847346247	BXOFFRCHGMGCJY-WOPDTQHZSA-N	311.813	1.755	50	20	DDGD	
CC(C)OCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](F)Cl	1847336603	VLOIMQHBACVDQQ-NHCYSSNCSA-N	306.765	1.148	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)C(=O)C2CC2)C1	1841306283	XKHHTSXFPYSJPA-NSHDSACASA-N	312.797	1.186	50	20	DDGD	
CC(C)(CNC(=O)NNc1cccc(Cl)n1)CC(=O)O	1590726756	ZHUHVAJPVOANEM-UHFFFAOYSA-N	300.746	1.862	50	20	DDGD	
CC(C)c1ccccc1NC(=S)NNC(=O)C1(C(=O)O)CC1	1591998795	VWCMUBUXVCTGOU-UHFFFAOYSA-N	321.402	1.992	50	20	DDGD	
CC1=NO[C@@H](CNC(=O)NNc2ccc(CC(=O)O)cc2)C1	1594119073	JKLCARBSTRVAET-GFCCVEGCSA-N	306.322	1.105	50	20	DDGD	
C[C@@]1(C(=O)Nc2nc(CC(=O)O)cs2)C[C@H]1Br	1593761201	BLTZSVCLVDSJAU-LHLIQPBNSA-N	319.180	1.882	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCS1)Nc1ccccc1C(=O)O	1594783215	WGTKBZWRWHALRM-SNVBAGLBSA-N	309.347	1.433	50	20	DDGD	
CCc1nc(C(=O)N(c2nc(CC(=O)O)cs2)N(C)C)co1	1597646566	CZARVWSTRSZSMR-UHFFFAOYSA-N	324.362	1.444	50	20	DDGD	
O=C(NNc1ccccn1)Nc1cc(F)cc(-c2nn[nH]n2)c1	1593166890	QJCOIOPFPJKZOY-UHFFFAOYSA-N	314.284	1.549	50	20	DDGD	
O=C(NN=Cc1nc(CO)cs1)Nc1ccc(C(=O)O)cc1	1776045810	MGRHLXKVBPGIGK-UHFFFAOYSA-N	320.330	1.489	50	20	DDGD	
Cn1ncc(C(=O)O)c1/C=C(\C#N)C(=O)Nc1ccc(F)cc1	1776115539	BZBRYSNTQWFHDF-RMKNXTFCSA-N	314.276	1.803	50	20	DDGD	
COCCCS(=O)(=O)/C(C#N)=C/c1cccc(CC(=O)O)c1	1777206977	JBNVNOJDMUVTHQ-NTEUORMPSA-N	323.370	1.629	50	20	DDGD	
CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)C)C2	1799265311	DJUJITWMJBBKSX-RNJOBUHISA-N	316.829	1.249	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccccc1CC(F)(F)F	156123628	VRFHTQKQMTYFNA-UHFFFAOYSA-N	305.256	1.327	50	20	DDGD	
Nc1ccc(C(=O)NNc2ccncc2Cl)cc1[N+](=O)[O-]	154839583	MKGGOEDTFCMYCS-UHFFFAOYSA-N	307.697	1.982	50	20	DDGD	
O=C(NC1CC1)c1cc(F)c(NNC(=O)c2cc[nH]n2)c(F)c1	159984089	PKCALRCDVYYFGW-UHFFFAOYSA-N	321.287	1.337	50	20	DDGD	
CS(=O)(=O)C1(CNC(=O)c2cccc(CCl)c2)CC1	393673465	NIRNBEYKAMNTFT-UHFFFAOYSA-N	301.795	1.732	50	20	DDGD	
CCCCNC(=O)NNC(=O)COc1ccc(F)cc1F	6648741	HPBYJCSURYMIET-UHFFFAOYSA-N	301.293	1.474	50	20	DDGD	
C[C@](CO)(NS(=O)(=O)CCCCCl)c1ccccc1	134240015	KHPFNCQCJLBABZ-CYBMUJFWSA-N	305.827	1.833	50	20	DDGD	
CCC[C@@H](C)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1	103420548	IVZMMPISGBZZPD-GFCCVEGCSA-N	319.409	1.277	50	20	DDGD	
Cc1noc(-c2ccccc2C(=O)NNC(=O)C(C)(C)C)n1	173110787	UINWCLHEOFHYFB-UHFFFAOYSA-N	302.334	1.852	50	20	DDGD	
CS[C@@H](C)CC(=O)NNC(=O)Cn1ccc2ccccc21	119029651	OMNZJOUPDPIGQL-NSHDSACASA-N	305.403	1.930	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCn1ccc2ccccc21	109860721	FIBRTVPWCNOCFC-UHFFFAOYSA-N	311.345	1.524	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](NC2CCOCC2)C(C)C)nc(C)n1	173832227	KTAZGCAGHHFQFN-OAHLLOKOSA-N	321.425	1.330	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(C)n(Cc2ccccc2)c1C	56375301	VSAQTHQBWFQJLU-UHFFFAOYSA-N	300.362	1.727	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)C(=O)NNC(=S)N[C@@H](C)C1CC1	175542971	DZSWRDHDCOMZRQ-SFYZADRCSA-N	310.423	1.689	50	20	DDGD	
CCCCSCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	24537412	WLDIFLXVBXUZNM-UHFFFAOYSA-N	311.363	1.889	50	20	DDGD	
Cc1noc2ncc(C(=O)NNC(=O)c3ccc(C#N)cc3)cc12	61464489	AQGYPGBQJKTAAM-UHFFFAOYSA-N	321.296	1.478	50	20	DDGD	
CSC[C@@H](C)C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	66928629	BXDGHPDEZMTPTP-SNVBAGLBSA-N	318.402	1.837	50	20	DDGD	
CCN1CCCC[C@H]1CNC(=O)NNc1nc(C)cc(OC)n1	175496850	KXOIVINQMYFXCI-LBPRGKRZSA-N	322.413	1.294	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1	26973170	FUVUBLYQHRRJSU-OAHLLOKOSA-N	323.308	1.159	50	20	DDGD	
CCCCOCCCNC(=O)NNC(=O)c1ccccc1OC	67459092	YJPUKCJXMGCCKB-UHFFFAOYSA-N	323.393	1.846	50	20	DDGD	
O=C(Cc1ccc(F)cc1Cl)NNC(=O)N1CCOCC1	178100557	VBQYPLHDIULIFV-UHFFFAOYSA-N	315.732	1.095	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)NC(C)C)[nH]c(C)c1C(C)=O	63268826	VXEXIQCDEGWKLW-UHFFFAOYSA-N	308.382	1.831	50	20	DDGD	
C=CCC(CC=C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	121055491	VHVMFNSDBCLOCW-HNNXBMFYSA-N	316.357	1.742	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)CC(C)(C)C)cc1OC(F)F	184256861	HHOLUCZNHBPARC-UHFFFAOYSA-N	304.297	1.219	50	20	DDGD	
Cc1cnc(CNC(=O)NNC(=O)Cc2ccccc2F)s1	75095264	KEOPWFJPKCJJBV-UHFFFAOYSA-N	322.365	1.664	50	20	DDGD	
O=C(NNC(=O)C1(O)CCC1)c1cc(-c2ccccc2)on1	121294677	JVEWDYPFHBZWCX-UHFFFAOYSA-N	301.302	1.018	50	20	DDGD	
CN(C)CC(=O)NNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl	77613941	KIVNQFNKMKGMOK-DTWKUNHWSA-N	313.760	1.292	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc(C(=O)NC2CC2)cc1	120228524	DUGNRIYTCKFMGS-UHFFFAOYSA-N	317.389	1.776	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H](C)[C@H](C)C2)c1	122847218	DWROJIOWHDVPJS-ZIAGYGMSSA-N	303.406	1.734	50	20	DDGD	
Cn1c(SCC(=O)NNC(=O)C2CC2)nc2ccccc21	128037824	MHFOGICXRHOZJR-UHFFFAOYSA-N	304.375	1.223	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2c(F)cccc2F)nc1	124278059	XVBAKCOYUZTKJY-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
CC(C)OCCCC(=O)NNC(=O)CCc1ccccc1O	184273380	PFKMGMGEYWPKSS-UHFFFAOYSA-N	308.378	1.677	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNC(=O)c2ccccc2O)[nH]n1	120617390	HLRHKJRAVPQFRA-UHFFFAOYSA-N	302.334	1.488	50	20	DDGD	
CCO[C@H](C)C(=O)NNC(=O)Cc1cccc2ccccc12	75884623	DGCNUGRCBNUJGJ-GFCCVEGCSA-N	300.358	1.955	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCC[C@H](OCCO)C1	183684171	DSESXUBEJYWJDL-DNXIFWLFSA-N	318.348	1.733	50	20	DDGD	
O=C(Cn1ccc([N+](=O)[O-])n1)NNc1ccc2ccccc2n1	181076391	WJMYEKCPVVCKLR-UHFFFAOYSA-N	312.289	1.483	50	20	DDGD	
O=C(Cc1n[nH]c2ccccc12)NNc1nnc(C2CC2)s1	184451649	PXMMZQLZAIIGET-UHFFFAOYSA-N	314.374	1.978	50	20	DDGD	
CC[C@]1(C)CN(CC(=O)NNC(=O)c2ccc(F)cc2)CCO1	135594192	RRPVANPHHWNJTL-MRXNPFEDSA-N	323.368	1.088	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)CC1CCCC1)N1CCCC1=O	195207534	IZWZLMYQTJDPDG-OAHLLOKOSA-N	309.410	1.361	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CCn1cnc2sccc2c1=O	80088367	WUUGPYCDBNBVBT-UHFFFAOYSA-N	322.390	1.042	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc(N(C)C)c2)cc1O	191291748	WWXLFDAZJWSIOO-UHFFFAOYSA-N	313.357	1.841	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C[C@@H]1CCCO1	46753485	KLVVRHYLYAYHAC-LBPRGKRZSA-N	322.361	1.181	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCNC(=O)c2cccs2)o1	84285369	FQNKVBSKNNFDEA-UHFFFAOYSA-N	321.358	1.231	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)CCO[C@@H](C)CC(C)C)n1	86994817	XTTJTOHYGBPBDU-AWEZNQCLSA-N	324.425	1.489	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(F)ccc1F	94121166	UGJWHIOEOJFHPG-UHFFFAOYSA-N	305.375	1.437	50	20	DDGD	
C[C@@H](C(=O)NN=c1sc2ccccc2n1C)n1cncn1	255012112	RBMVRAHEXGUZMZ-VIFPVBQESA-N	302.363	1.024	50	20	DDGD	
CC[C@@H](C)C[C@@H](C)NC(=O)NNC(=O)COc1ccccc1O	266624446	VWXXSTKQIRQUKE-VXGBXAGGSA-N	323.393	1.926	50	20	DDGD	
CCCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1cccnc1	264548403	VSARBOFOYJADLO-CYBMUJFWSA-N	318.377	1.024	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@](C)(O)Cc2ccccc2)n1	266950349	RMCXXFFBSKPTKM-INIZCTEOSA-N	316.361	1.230	50	20	DDGD	
O=C(NNC(=O)c1ccc(CN2CCCC2)cc1)NC1CC1	264109709	BFCCVWGWCSQJAQ-UHFFFAOYSA-N	302.378	1.389	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NNC(=O)CC(C)(C)C	264005387	CNFIDYFYCABONQ-UHFFFAOYSA-N	306.366	1.406	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C[C@H]2CCCCO2)c1	268059588	TYRGKEQJSXQJEO-CQSZACIVSA-N	321.377	1.214	50	20	DDGD	
COc1cccc(OC)c1CC(=O)NNC(=O)NC1CCCC1	268156739	PNXXPTXOKCIEEG-UHFFFAOYSA-N	321.377	1.519	50	20	DDGD	
Cc1nnc([C@@H](C)NC(=O)NNC(=O)c2ccccc2C)s1	273838843	GPCMVMRGCLXONA-SECBINFHSA-N	319.390	1.860	50	20	DDGD	
CO[C@H](C)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	278492852	GVKIOMMCWPWNQA-RKDXNWHRSA-N	300.742	1.290	50	20	DDGD	
CCCN(NC(=O)[C@@H]1CN(CC)CCO1)C(=O)OC(C)(C)C	367836063	MIWSXFWCBKHAQY-LBPRGKRZSA-N	315.414	1.385	50	20	DDGD	
CN(C)CCc1ccc(CNC(=O)NNC(=O)C2CCC2)cc1	276054440	ANCZCNTZTGAWFN-UHFFFAOYSA-N	318.421	1.421	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)CN(C)C)c1c[nH]c2ccccc12	278470791	CXCRULQOVZCUTR-LLVKDONJSA-N	302.378	1.371	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(CC(=O)N(C)C)cc1	274454883	VKVQUQPQKYAZPP-UHFFFAOYSA-N	321.381	1.015	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(F)c(SC)c1	270924372	GHFQZIFNYJTRTE-UHFFFAOYSA-N	315.370	1.528	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)NC1CC1	274291943	COAAGHIRXJWYCN-DTWKUNHWSA-N	313.279	1.700	50	20	DDGD	
Cc1sc(Br)nc1C(=O)NNC(=O)C1CCC1	277616065	IEPKHMJYKRCSBE-UHFFFAOYSA-N	318.196	1.775	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NNc1cnc2ccccc2n1	278240889	NYCUWCNAJYIOFS-LBPRGKRZSA-N	315.377	1.041	50	20	DDGD	
O=C(NNc1ccccn1)N[C@H]1CCCC[C@H]1N1CCOCC1	370558153	NTJHAPDZAFGQCJ-UONOGXRCSA-N	319.409	1.351	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCN1CCC[C@@H](S(N)(=O)=O)C1	377579323	CIXPRHSYHXWLKB-GFCCVEGCSA-N	322.547	1.761	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@H]1CCOC[C@@H]1C	286687671	LPEQWKHPCNEJLE-NWDGAFQWSA-N	321.377	1.312	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C[C@H]1CCC(=O)[C@@H]1C	280120640	WUJIRZPUNOUJEN-VXGBXAGGSA-N	318.373	1.390	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@@H]1O[C@@H](C)C[C@@H]1C	282270910	XHOQZEKRFRYBRT-ZIBATOQPSA-N	321.377	1.068	50	20	DDGD	
CON(CC(=O)NNC(=O)Cc1ccccc1C)CC(C)(C)C	285431861	HONSCHFVIUSDOL-UHFFFAOYSA-N	321.421	1.594	50	20	DDGD	
CSSCCNC(=O)c1cn(C)c2c(cnn2C)c1=O	285697778	MMMXCXQFBMJRBB-UHFFFAOYSA-N	312.420	1.013	50	20	DDGD	
O=C(CNCC(F)(F)F)NNc1nccnc1C1CCC1	287198557	MTJKXOBNMHCMDW-UHFFFAOYSA-N	303.288	1.339	50	20	DDGD	
COc1cc(F)ccc1NC(=O)C(=O)NNc1cccc(F)n1	807390906	TYFCIUSVFRVPCZ-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)Cc2cccnc2)[C@@H]2CCC[C@@H]21	296288051	IOTISBPENJLGBV-UONOGXRCSA-N	316.405	1.875	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1cccc(CO)c1	803440286	YNJBEYWTADRYOP-UHFFFAOYSA-N	309.325	1.777	50	20	DDGD	
C[C@@H]1CN(CCC(=O)NNC(=O)C2=CCCCCC2)C[C@@H](C)O1	809981637	RQRFVZIKYSQJEX-ZIAGYGMSSA-N	323.437	1.524	50	20	DDGD	
CCn1ncnc1COC(=O)/C(C#N)=C\c1ccc(OC)cc1	801199248	KDBKWLYTLWLOCD-JYRVWZFOSA-N	312.329	1.957	50	20	DDGD	
CC[C@H](C)CCC(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1	806341099	ZWEFFIPPUDRZMD-BFHYXJOUSA-N	313.442	1.459	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1nc([C@@H](C)OC)ns1	809926525	YNALDLACVDYPCC-RNFRBKRXSA-N	301.372	1.444	50	20	DDGD	
COc1ccnc(NNC(=O)NCCCc2ncccc2C)n1	297351132	CLKIRTYEJMMPFR-UHFFFAOYSA-N	316.365	1.448	50	20	DDGD	
C=CCOc1ccccc1CNC(=O)NNC(=O)[C@@H]1CCCO1	292423722	WTJBBPMZBGCRQH-AWEZNQCLSA-N	319.361	1.261	50	20	DDGD	
Cn1cncc1CCC(=O)NNc1ncccc1C(F)(F)F	802753227	YNFQPSONOSHHEI-UHFFFAOYSA-N	313.283	1.910	50	20	DDGD	
COc1cc(C)c(NC(=O)NNC(=O)[C@@H]2CCCO2)cc1OC	292827164	PHVWSZOXUXIIFZ-NSHDSACASA-N	323.349	1.344	50	20	DDGD	
CCSCc1cc(C(=O)NNC(=O)[C@H]2CCCCO2)no1	295347826	IJVYBVNEHNTJMU-LLVKDONJSA-N	313.379	1.258	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NC[C@@H]1C[C@H]1C	298732878	MIQBQQIOHIGSGW-YPMHNXCESA-N	305.378	1.614	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCCCOC(F)F	801072656	YSIBITKYKIRDDV-UHFFFAOYSA-N	315.320	1.579	50	20	DDGD	
C#CCCCC(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	291191118	LHRYKFZOSZQTJB-UHFFFAOYSA-N	309.391	1.184	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]32)cccc1[N+](=O)[O-]	291417279	YMOHETGHBKCMKB-MISXGVKJSA-N	321.333	1.398	50	20	DDGD	
O=C(Cc1ccc2c(c1)OCO2)NNC(=O)NC1CCCC1	299369843	VOBNUUOPZFDFBZ-UHFFFAOYSA-N	305.334	1.231	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)ncn1	802016947	SFKBRJZSUJPZAG-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
CC(C)[C@](C)(NC(=O)[C@H](Br)C(C)(C)C)C(N)=O	804427525	CTUNDBPZLDMPCX-UFBFGSQYSA-N	307.232	1.812	50	20	DDGD	
CN(NC(=O)c1cc(Br)c2c(c1)OCO2)C1CC1	819645914	GQDQTIUJTPTSHK-UHFFFAOYSA-N	313.151	1.917	50	20	DDGD	
CCCN(CC)C[C@H](C)NC(=O)NNc1nc(C)cc(C)n1	811980131	XWZVLNXOCALLRG-ZDUSSCGKSA-N	308.430	1.840	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)C1(C(F)F)CCCC1	813462221	SMTRAKAVZFRJLN-UHFFFAOYSA-N	319.352	1.264	50	20	DDGD	
CC(C)C(=O)NNC(=O)C1(Cc2ccc(F)cc2)CCOCC1	814220121	WUJSGRHWPWWGIZ-UHFFFAOYSA-N	322.380	1.968	50	20	DDGD	
C[C@H](C(=O)NNC(=O)NCCc1cccs1)C(C)(F)F	815115040	PQVFDVSVCLVSDX-MRVPVSSYSA-N	305.350	1.912	50	20	DDGD	
Cn1nncc1NNC(=O)C(C)(C)Cc1nc2ccccc2[nH]1	816769527	MHWBQZLXXLEOGE-UHFFFAOYSA-N	313.365	1.403	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=S)NC2CCC2)cc1C	814192543	XAZHFAPAWQMUQP-UHFFFAOYSA-N	320.418	1.290	50	20	DDGD	
COc1cc(C(C)=NNC(=O)CCN2CCCCCC2)on1	814758288	OGGSGSPNHLOYDK-UHFFFAOYSA-N	308.382	1.790	50	20	DDGD	
O=C(NNc1ncccn1)[C@H](CN1CCCC1)c1ccccc1	816849117	ROCLVCMCCGIPAN-OAHLLOKOSA-N	311.389	1.799	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1csc(C(C)=O)c1	815277806	ABEGSUTUDZRCEF-QMMMGPOBSA-N	312.347	1.053	50	20	DDGD	
N#CCCCC(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1	812533703	FNMOONIWDJMWBC-UHFFFAOYSA-N	303.347	1.593	50	20	DDGD	
CC(C)c1c(C(=O)NN(C)[C@@H](C)CO)cnn1-c1ccccn1	823970296	DMDRSSAZUYXCHO-LBPRGKRZSA-N	317.393	1.348	50	20	DDGD	
Cn1cc(-c2nn[nH]n2)cc1C(=O)NNc1ccc(F)cc1F	822645888	VBULWPOLFMRZEV-UHFFFAOYSA-N	319.275	1.240	50	20	DDGD	
CCN(CCO)NC(=O)C1(c2ccc(C)c(OC)c2)CCC1	823856387	QOPULNWXHAMNSL-UHFFFAOYSA-N	306.406	1.771	50	20	DDGD	
COC(=O)N(C)NC(=O)c1n[nH]c(C(C)C)c1Br	495629060	NTAUYRCUGUNXQB-UHFFFAOYSA-N	319.159	1.639	50	20	DDGD	
CCc1cc(C(=O)NNc2nccnc2C2CCC2)n(C)n1	822927100	ARCJJSDHTKRIJW-UHFFFAOYSA-N	300.366	1.797	50	20	DDGD	
CC(C)C[C@@H]1CCCN(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)C1	827289498	TXTYETMRYFDSHF-HZSPNIEDSA-N	311.426	1.910	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCCCCCN2CCCC2)cn1	491053494	YPNITNJAIRYTSS-WJDWOHSUSA-N	315.421	1.709	50	20	DDGD	
CSCC[C@H](O)C(=O)NNC(=O)c1cccc2cccnc12	822880034	XGWHQIHPDGUDFR-LBPRGKRZSA-N	319.386	1.110	50	20	DDGD	
CCOCc1ccc(NCc2ccc(B(O)O)cc2F)cc1	585012362	VXRAZCAWYUZNID-UHFFFAOYSA-N	303.142	1.654	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCc2ccc(C(C)(C)O)cc2)cn1	491163624	XFGOWANLXVRHQZ-OVCLIPMQSA-N	324.384	1.871	50	20	DDGD	
CC(=O)N(CC(=O)NNC(=S)NC(C)(C)C)c1ccccc1	900001122	HIWUZYWGRKNQGT-UHFFFAOYSA-N	322.434	1.333	50	20	DDGD	
C#CCCCC(=O)NN[C@@H](Cc1ccccc1)C(=O)OCC	901645099	XXBXNVTXXODJMK-HNNXBMFYSA-N	302.374	1.585	50	20	DDGD	
O=C(/C=C\c1ccc(Cl)s1)NNC(=O)Cc1cc[nH]n1	492448485	YAUGKKTWLHVVEE-RQOWECAXSA-N	310.766	1.528	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1cnn(C2CCC2)c1	829003869	ZSJAWUFIKMSXTQ-UHFFFAOYSA-N	316.390	1.635	50	20	DDGD	
CN(C)CC(=O)NN=C1CC[C@@H](CNC(=O)OC(C)(C)C)C1	901183377	OWXPTGWCLUVCCX-LLVKDONJSA-N	312.414	1.345	50	20	DDGD	
CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)NNc1cnccn1	734245409	ZMGFUJSIVWKJGW-NSHDSACASA-N	308.386	1.042	50	20	DDGD	
CC[C@H](CC(F)(F)F)C(=O)NNc1ccnc(N(C)C)n1	825987602	MQJZLXDLHHLHBG-MRVPVSSYSA-N	305.304	1.964	50	20	DDGD	
Cc1nnc(NNC(=O)C[C@@H]2CCc3ccccc3C2)nc1O	732574889	GBPWGKRGSJYARB-LLVKDONJSA-N	313.361	1.524	50	20	DDGD	
CN1CCCC[C@H](C(=O)NC[C@@]2(C)C[C@@H]2Br)C1=O	824804606	KTCDCPSHMOFHFM-GBIKHYSHSA-N	317.227	1.535	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNc2nc(-c3ccccc3)no2)CCN1C	825714830	WOYZHENOZMBFIF-ZYHUDNBSSA-N	301.350	1.520	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)CCCc2ccccc2)CCOC1	733347052	ZMAOXNRMXBKKDG-QGZVFWFLSA-N	319.405	1.766	50	20	DDGD	
C[C@]1(C(=O)NCCN2C[C@@H]3CC[C@H](C2)O3)C[C@H]1Br	909024818	LQRMEYGMCYHLLL-XZUYRWCXSA-N	317.227	1.139	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H]1CC(c2cc(C)ccc2C)=NO1	907253558	VORDAPPSATVNLO-CQSZACIVSA-N	318.377	1.489	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)NNC(=O)c1cc2ccccc2o1	906914163	KCTUXFPSVCTUJY-LLVKDONJSA-N	315.329	1.205	50	20	DDGD	
O=C(CCNC(=O)NNC(=O)C1CCCC1)Nc1ccccc1	733654960	ZTXQUUKHTKXPFG-UHFFFAOYSA-N	318.377	1.536	50	20	DDGD	
C[C@@H]1SCCC1=NNC(=O)NCCNC(=O)OC(C)(C)C	495651684	MWWMDUMKITUYTJ-VIFPVBQESA-N	316.427	1.692	50	20	DDGD	
COC(=O)CCSCCNC(=O)[C@]1(C)C[C@@H]1Br	906695169	MSTYOUGWVWKLJH-GZMMTYOYSA-N	324.240	1.572	50	20	DDGD	
N#Cc1cccc(C=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)c1	839401590	PZLMMMATNUCAHY-UHFFFAOYSA-N	309.285	1.813	50	20	DDGD	
Cc1c([N+](=O)[O-])cc(C(=O)NNc2cccnn2)cc1[N+](=O)[O-]	736702362	QRGKJKSSRXPXKF-UHFFFAOYSA-N	318.249	1.358	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1)c1cncs1	734745358	LDZKJGMOQBMPRO-WOPDTQHZSA-N	324.450	1.729	50	20	DDGD	
O=C(C[C@@H]1CCC(=O)N1)NNc1ccc([N+](=O)[O-])cc1Cl	830810771	UHZNOOQTQCANSQ-ZETCQYMHSA-N	312.713	1.360	50	20	DDGD	
C[C@@H](COc1ccccc1F)NCc1ccccc1B(O)O	585019637	QFBZJYNBWHUFFF-LBPRGKRZSA-N	303.142	1.063	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1CNC(=O)NNC(=O)Cc1ccncc1	836558768	OMCMRMJFHNROMD-ZIAGYGMSSA-N	304.394	1.781	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C[C@@H]2C[C@H]3CC[C@H]2O3)cc1	839482775	LNJHQCLIGYHYEP-NWANDNLSSA-N	317.389	1.512	50	20	DDGD	
CC(C)[C@@H](NCc1cccc(B(O)O)c1)[C@@H](O)c1ccccc1	585039535	WQLVBBJQEDJDDC-MSOLQXFVSA-N	313.206	1.214	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H]2CCC[C@H]2C(=O)NC)cc1	838534676	PKYJYKTYQRVNEE-ZIAGYGMSSA-N	320.393	1.626	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1	838625668	HNXRJKHCMHHMEA-VIFPVBQESA-N	310.310	1.023	50	20	DDGD	
O=C(NCCN1CCCc2ccccc21)NNC(=O)C1CCC1	732460692	RSYOYBMOUDAVIR-UHFFFAOYSA-N	316.405	1.570	50	20	DDGD	
Cc1cccc2nc(/C(C#N)=C/c3cn(C)c(=O)n(C)c3=O)[nH]c12	735618811	GBZOCZGQJPVXGA-YRNVUSSQSA-N	321.340	1.333	50	20	DDGD	
CC(C)C[C@@H]1C[C@H]1NC(=O)NNC(=O)COc1ccccc1F	838754657	MKCUJOOPEVTMRY-DGCLKSJQSA-N	323.368	1.970	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@H]1OCCc2ccccc21	733652502	ZWFLLIZESLSRDF-CQSZACIVSA-N	305.378	1.677	50	20	DDGD	
O=C(NCCC1CC(F)(F)C1)NNC(=O)c1ccccc1O	838735666	UMENTUKFGPOYFH-UHFFFAOYSA-N	313.304	1.772	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)O)c(-n2cccc2)s1	832754680	PHKXOMJPUZCHPG-UHFFFAOYSA-N	307.375	1.379	50	20	DDGD	
COc1ccccc1CNC(=O)NNC(=O)[C@H]1CCCCO1	836184246	NXOAAQCXVKTPRP-CYBMUJFWSA-N	307.350	1.095	50	20	DDGD	
CC(=NNC(=O)Cn1nc(C)cc1C)c1ccc(O)cc1O	916343138	MBBLSSNVYSLQCO-UHFFFAOYSA-N	302.334	1.452	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc2c(c1)COC2	831598644	BLFSPZVEQHASCI-RNCFNFMXSA-N	305.334	1.295	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)[C@H]1CCCCO1)N1CCCCC1	833778697	HUMJREKDQCXJFU-KGLIPLIRSA-N	311.426	1.213	50	20	DDGD	
COc1cccc2c1OCC[C@@H]2NC(=O)NNc1ccncn1	836269467	ZZBAVCXHKUQYQU-NSHDSACASA-N	315.333	1.635	50	20	DDGD	
C[C@@H](CC(C)(C)C)NC(=O)NNC(=O)COc1ccccc1O	836684510	IDMNUIUVLYADSS-NSHDSACASA-N	323.393	1.926	50	20	DDGD	
COCCCNC(=O)NNc1cccc(Br)n1	837316733	MLJBIXGDIMZBHQ-UHFFFAOYSA-N	303.160	1.507	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NCC1CCC(C)CC1	748626300	QRLZXGDMBIUTPP-OTTFEQOBSA-N	315.414	1.195	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(-c2cc[nH]n2)s1	843970543	HTPOKXSSFBUNGV-DTWKUNHWSA-N	320.374	1.324	50	20	DDGD	
O=C(NNc1cc(O)nc2ncccc12)C1(F)CCOCC1	913996879	YXFCZWWEJRNUNP-UHFFFAOYSA-N	306.297	1.297	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1c(F)ccc(F)c1F	843653433	CAJULGFHVSSKQV-BQBZGAKWSA-N	302.252	1.290	50	20	DDGD	
COc1ccccc1CC(=O)NN=C[C@H](OC)[C@@H]1CCOC1	841621012	QHDFZUONIQCHFI-HIFRSBDPSA-N	306.362	1.391	50	20	DDGD	
CC1(NC(=S)NNC(=O)c2ccc3c(c2)OCO3)CCC1	840702109	CVIJNZSVXVASQM-UHFFFAOYSA-N	307.375	1.467	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CNc1ccccc1Cl	843972645	HIGRAGJAGDYPAY-UWVGGRQHSA-N	311.769	1.324	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CCc2cc(F)ccc21	740762730	DZVMVYWJCCPYGS-UHFFFAOYSA-N	305.353	1.897	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)[C@H]1OC	841612093	XZJSHPUFANPIHZ-CHWSQXEVSA-N	322.321	1.087	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H](C)Cc2ccccn2)n1	848671048	RWMQJPZXGWAIDD-NSHDSACASA-N	301.350	1.743	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@H](CCN)C(F)F	843484252	PTSLPWHLBXRXQY-RNFRBKRXSA-N	301.175	1.895	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCCc1ccc(O)c(F)c1	843970265	CSMIGOLKXNNJBF-ZYHUDNBSSA-N	324.352	1.426	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2CC2(C)C)cc1OC	840410413	HABVQOSJRAZBSZ-LBPRGKRZSA-N	307.350	1.446	50	20	DDGD	
CC(=NNC(=O)c1ccccn1)c1ccc([S@@](C)=O)cc1	746366547	AOILEFJZMKINRV-OAQYLSRUSA-N	301.371	1.973	50	20	DDGD	
O=C(NNc1c(F)cccc1F)[C@H]1CCCS(=O)(=O)C1	845854768	JTIJZMORYJAZCK-QMMMGPOBSA-N	304.318	1.233	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)c2ccccc2OC)[nH]1	747631349	JUNUYSKDAYRIRB-UHFFFAOYSA-N	301.302	1.574	50	20	DDGD	
Cn1nc2c(c1C(=O)NNc1nc3ccccc3n1C)CCCC2	848379671	NOFMTTPHGTYJIR-UHFFFAOYSA-N	324.388	1.943	50	20	DDGD	
O=C(COC(=O)[C@@H]1Cc2ccccc21)NNC(=O)c1ccccc1	745374005	YYHIJOCEWQETSB-OAHLLOKOSA-N	324.336	1.331	50	20	DDGD	
CC(C)(N)CNC(=O)NNC(=O)c1ccc(Cl)cc1Cl	841950795	PUXAGULICCXHQE-UHFFFAOYSA-N	319.192	1.675	50	20	DDGD	
CCONC(=O)CNC(=O)NNc1ccccc1C(F)(F)F	845550069	BCSBWPKNCJOEDG-UHFFFAOYSA-N	320.271	1.399	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1ccc(OC)c(F)c1	748254190	WOXANOQFIAOYRQ-LLVKDONJSA-N	312.341	1.726	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C2CCSCC2)cc1	846375008	YVAOLMITOZDPNB-UHFFFAOYSA-N	308.403	1.988	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H](C)Cc2ccco2)n1	746750490	RHBDWMYSFOITJF-SECBINFHSA-N	305.338	1.644	50	20	DDGD	
Cc1ccc(OCC(=O)NN=C2C[C@H](C)n3ncnc32)cc1C	841606745	KZJYWSCYGVSGIK-LBPRGKRZSA-N	313.361	1.759	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)C(C)C	743636563	GMCHGBJJURNECH-ZDUSSCGKSA-N	311.357	1.370	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(C#N)ccc1Cl	843655543	MTSSTDFZBGVALF-SCZZXKLOSA-N	307.737	1.398	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)O[C@H](C)c1nnnn1C	844504387	VRMRYPAQOLEHJB-SECBINFHSA-N	312.761	1.180	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1sccc1-n1cccc1	843976350	XVZIUUUTPSNPFG-GHMZBOCLSA-N	319.386	1.725	50	20	DDGD	
CN1C(=O)CCc2cc(NC(=O)NNC(=O)C3CC3)ccc21	753935225	IYXDXYQLEYXGSD-UHFFFAOYSA-N	302.334	1.158	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2cccnc2Cl)[C@H]2CCCC[C@H]2N1	854929654	GVBCYQNYVKUJRO-OUAUKWLOSA-N	322.796	1.873	50	20	DDGD	
COC(=O)CCC(C)=NNC(=O)c1cc(OC)cc(OC)c1	756877091	NHOFKLAWCUJVEJ-UHFFFAOYSA-N	308.334	1.763	50	20	DDGD	
CCNC(=O)NN=C1CCN(c2ccc([N+](=O)[O-])nc2)CC1	853295174	DSRQKYGEUORASP-UHFFFAOYSA-N	306.326	1.265	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2nnn(C(C)(C)C)n2)c1	853264450	DLHPPARMIXZKNO-UHFFFAOYSA-N	316.365	1.266	50	20	DDGD	
CC(C)CN1CC[C@H](CNC(=O)NNC(=O)C2CCCC2)C1	757304292	JMBOKWPJHXIODB-CYBMUJFWSA-N	310.442	1.485	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)[C@H]1CSCCS1	751067953	GRHJIARJBJSICC-GFCCVEGCSA-N	306.416	1.922	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@H]2C=NNC(=O)[C@@H]2CCCCO2)cn1	853353177	SQGYHGMGVGTEFL-AEGPPILISA-N	320.393	1.559	50	20	DDGD	
Cc1cccc(C=NNC(=O)CNC(=O)c2cccs2)c1	750946047	WKHBATLACOVLPG-UHFFFAOYSA-N	301.371	1.937	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCc1cncnc1N	756789848	DCUGRNIJVJNMCA-UHFFFAOYSA-N	308.773	1.041	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)CSC(F)(F)F)C1CC1	855103140	RGRKOZOGRCDUKQ-RXMQYKEDSA-N	301.359	1.533	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C1C(=O)Nc2cc(O)c(Cl)cc21	853369485	YTMOYENIPZVCKT-BQBZGAKWSA-N	323.736	1.243	50	20	DDGD	
COCCCOCCC(=O)NNC(=O)NC1CCCCC1	854192976	ZCFJEEZSCMJUIQ-UHFFFAOYSA-N	301.387	1.093	50	20	DDGD	
C=CCCSCCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	852392974	BWFKGJZMZKKJDL-MNOVXSKESA-N	301.412	1.051	50	20	DDGD	
NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C[C@@H](CBr)C1CC1	859272104	MVNDPHRYOKDUAQ-LPWJVIDDSA-N	315.255	1.993	50	20	DDGD	
C[C@H](C(=O)NN=c1sc2ccccc2n1C)[C@H]1CCC(=O)N1	858279762	RGZVSVXABJETPE-VHSXEESVSA-N	318.402	1.086	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cccnc2OC)nc1	759721288	GJUYTRRWGGXLBY-UHFFFAOYSA-N	302.290	1.029	50	20	DDGD	
C[S@@](=O)CCN1CCN(/C(=C\C#N)c2ccc(F)cc2)CC1	755959761	UXOBKBZKNZQHDK-QGTPTBJCSA-N	321.421	1.686	50	20	DDGD	
O=C(OC[C@@H](CBr)C1CC1)c1cc2n(n1)CCO2	859697375	FLWZYWCWJXMWPV-SECBINFHSA-N	315.167	1.853	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)[C@H]1CC12CCC2	759797508	OUXYEIRWMLUHOZ-LLVKDONJSA-N	309.460	1.976	50	20	DDGD	
Cn1nnc2cc(C(=O)NC[C@@]3(C)C[C@H]3Br)ccc21	857398915	UICKNOOGBXBNMU-DGCLKSJQSA-N	323.194	1.872	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)c2cc[nH]n2)cc1C	855359525	VJTJXIJALIBKOY-UHFFFAOYSA-N	302.334	1.257	50	20	DDGD	
COC[C@H](C)Oc1ccc(C=NNC(=O)[C@H]2CCO[C@H]2C)cc1	853366735	QEPQQRWKCPSYII-XEZPLFJOSA-N	320.389	1.975	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccccc1O[C@@H](C)C#N	757977409	JIPCRYKUWZGFRL-JTQLQIEISA-N	306.322	1.167	50	20	DDGD	
CNC(=S)N(C)NC(=O)C[C@H](C)N1CCc2ccccc21	854928739	MEUXECMURCEHHH-NSHDSACASA-N	306.435	1.295	50	20	DDGD	
C[C@@]1(CNC(=O)N(CCO)CC2CC2)C[C@@H]1Br	856952396	BUBLBFAEYUXLNW-JQWIXIFHSA-N	305.216	1.574	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2ccsc2C(F)F)CC1	935859279	AOGPPKQPBHKBNJ-UHFFFAOYSA-N	318.349	1.288	50	20	DDGD	
CO[C@@H]1CCCCC1=NNC(=O)CNC(=O)c1cccs1	750943051	DCNSOLGONRQGHE-LLVKDONJSA-N	309.391	1.539	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC(C)C)n(C2CCOCC2)n1	858284844	PBUMBVFCGGXIAZ-UHFFFAOYSA-N	308.382	1.350	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H](C)c1cn(C)c2ccccc12	854922651	ORNCDXZOKDJOFL-JTQLQIEISA-N	304.419	1.749	50	20	DDGD	
Cc1cc(C)cc(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	852394576	UWOGCGGSHXODEU-JSGCOSHPSA-N	305.378	1.559	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1ccc(F)cc1	758380850	NCHRHJXIMYSEDX-UHFFFAOYSA-N	300.293	1.700	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNC(=O)C(C)(C)c1ccccc1	865632176	RCGYBWWNSKHIFH-ZDUSSCGKSA-N	305.378	1.026	50	20	DDGD	
O=C(NNC(=O)C1(c2ccccn2)CC1)NC1CCCCC1	864461210	MZOZMHXRTRDGBO-UHFFFAOYSA-N	302.378	1.776	50	20	DDGD	
CC(C)(C)C1CCC(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1	862457475	KHHQFGABQGCCBS-WXRRBKDZSA-N	323.437	1.655	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@H]1CCN1C1CCCC1	862468179	SXGSNGPZTPVFGH-MRXNPFEDSA-N	315.417	1.702	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccn(C)c1	763140497	QQYQAWCGEOHUFS-SNVBAGLBSA-N	305.309	1.393	50	20	DDGD	
Cc1nnc(CC(=O)NNCC(F)(F)C(F)(F)F)s1	863101861	LBGCTZZKOHOJNN-UHFFFAOYSA-N	304.244	1.207	50	20	DDGD	
Cc1cc(C)c2c(c1)C(=NNC(=O)C(=O)NC(C)C)CCCO2	763155377	YWVQSOIXOCWCNT-UHFFFAOYSA-N	317.389	1.821	50	20	DDGD	
C[C@@H](NNC(=O)C(=O)NCc1ccc(F)cc1)C(F)(F)F	862313955	RRMLUFDRNJYJSG-SSDOTTSWSA-N	307.247	1.014	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc2nnc(C(C)(C)C)n2c1	769561102	ZSVKTEHVQBDTFW-UHFFFAOYSA-N	318.381	1.381	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1c(F)cc(F)cc1F	761252768	NJJVRANRRZUXIX-UHFFFAOYSA-N	300.158	1.817	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)oc2c(C)cccc12	862452401	KIDSCPTWCOJQNV-NSHDSACASA-N	315.329	1.089	50	20	DDGD	
CCOc1c(Cl)cccc1C=NNC(=O)CS(C)(=O)=O	863186817	NACOUYDHSIBDAV-UHFFFAOYSA-N	318.782	1.233	50	20	DDGD	
O=C(NNC(=O)c1ccc(-c2cnc[nH]2)cc1)NC1CCCC1	865036608	DOXPDAIFVNPLPP-UHFFFAOYSA-N	313.361	1.963	50	20	DDGD	
CC[C@@H]1C[C@@H](C)CCC1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	769570710	QLEAFONOQJQAFH-QJPTWQEYSA-N	315.439	1.675	50	20	DDGD	
COCCC(=O)COC(=O)/C(C#N)=C/c1ccc(OC)cc1	761929220	MTLPIYBMVMBGRT-UKTHLTGXSA-N	303.314	1.751	50	20	DDGD	
CNc1nc(C(=O)NNc2ccc(C(=O)OC)cn2)cs1	762280534	RSCKGPGWCNPRHZ-UHFFFAOYSA-N	307.335	1.123	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNC(=O)C2CCC2)cc1F	764334171	ABAZMFKHXKUJRW-UHFFFAOYSA-N	323.324	1.110	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccc(F)c(F)c1F	760122501	DITNIWDZGYRHAZ-UHFFFAOYSA-N	300.158	1.817	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNC(=O)C2CC2)ccc1Cl	764619949	VHSJMASOSKXYRS-UHFFFAOYSA-N	311.725	1.689	50	20	DDGD	
O=C(C[C@]1(C(=O)O)CCCc2ccccc21)NNC(=O)C1CC1	872831430	OBZCTYJRTQVZDS-QGZVFWFLSA-N	316.357	1.293	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN[C@@H](c2cccc(OC)c2)C1	870149969	HONSKUXOYLJDFO-WCRPCQDQSA-N	315.373	1.612	50	20	DDGD	
CCOc1cccc(F)c1C=NNC(=O)[C@@H](C)OCCOC	872355132	PKHINZKIYKZCLO-LLVKDONJSA-N	312.341	1.726	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc(OC(F)F)c(F)c1	779821525	ZCJSUUDOGHGTOQ-UHFFFAOYSA-N	319.239	1.233	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@]2(F)CCOC2)c(Cl)c1	1117710000	OIXXHTZUGUELFY-ZDUSSCGKSA-N	315.732	1.930	50	20	DDGD	
CC(=O)N1Cc2ccc(NC(=O)NNC(=O)C(C)(C)C)cc2C1	1116447483	JWTAJOJTYHXBPR-UHFFFAOYSA-N	318.377	1.748	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)c1coc(C2CC2)n1	777246716	MBJLBICPSQOSOP-UHFFFAOYSA-N	317.301	1.098	50	20	DDGD	
COC(=O)c1ccccc1C=NNC(=O)c1sc(N)nc1C	874121089	WUPQNCOPUUCDBN-UHFFFAOYSA-N	318.358	1.584	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccccc1N1CCCC1=O	770333498	KXRGGZWPMDHFCO-UHFFFAOYSA-N	304.350	1.622	50	20	DDGD	
COCOc1ccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	879912147	BDKMUXLAYBYSFN-ZDUSSCGKSA-N	323.349	1.391	50	20	DDGD	
CCN(C)c1ccc(C(C)=NNC(=O)COCCOC)cc1	872401785	JBBXHZLZAITTGS-UHFFFAOYSA-N	307.394	1.646	50	20	DDGD	
CCOc1cccc([C@H]2C[C@@H]2NC(=O)NNC(=O)C(C)C)c1	775774400	PWTHWKPBIUIOQM-KGLIPLIRSA-N	305.378	1.928	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(C)c(N2CCOC2=O)c1	878858561	WXRQWQLZKSSHMD-UHFFFAOYSA-N	322.365	1.566	50	20	DDGD	
COCCCOc1cccc(NC(=O)NN(C)CCOC)c1	878885540	JJAFKQBWKMEACH-UHFFFAOYSA-N	311.382	1.717	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H](C)NC(=O)CC(C)(C)C	778585420	LBYCHMJMURSZPX-SNVBAGLBSA-N	300.403	1.058	50	20	DDGD	
CC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)[C@@H]1CCCOC1	779763281	PTHGQRUIKJGKMJ-SNVBAGLBSA-N	306.322	1.709	50	20	DDGD	
Cc1cc(C(=O)NNc2nccn(C)c2=O)nn1[C@H](C)C1CC1	777522917	CPRNDFKNCMBVAQ-SNVBAGLBSA-N	316.365	1.013	50	20	DDGD	
C[C@H]1CC[C@H](C(=O)NNC(=O)Cn2cnc3ccccc32)C1	776338093	FOEBQJNNJVQAFJ-RYUDHWBXSA-N	300.362	1.620	50	20	DDGD	
CCOC1(C(=O)NNc2ccc(F)c(F)c2)CCOCC1	885114978	ADOWHOPEZPJICR-UHFFFAOYSA-N	300.305	1.994	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)C2CCOCC2)c2ccccc21	883069327	FCXPXCPHEWRAEC-AWEZNQCLSA-N	316.357	1.321	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@H]2CCC(=O)[C@@H]2C)cc1O	882049510	BAYYASFRXUHIAI-GHMZBOCLSA-N	304.346	1.467	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cc1)C1(O)CCOCC1	773460419	VELFUXFWTBSVIK-UHFFFAOYSA-N	304.268	1.690	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)c1ccc2nn[nH]c2c1	788188028	FJFRJNCKECDLMH-UHFFFAOYSA-N	301.281	1.863	50	20	DDGD	
CC1(C)CCC[C@@H](CNC(=O)NNC(=O)C2CCOCC2)C1	883684713	OEISSMDYRAMAER-GFCCVEGCSA-N	311.426	1.960	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1cc(F)ccc1Br	785463864	WLBKHJIBYVSEDV-UHFFFAOYSA-N	303.131	1.809	50	20	DDGD	
O=S(=O)(CCCCl)N[C@H](CO)c1ccc(F)cc1F	882418146	AHPCHYPSCVZAKZ-LLVKDONJSA-N	313.753	1.547	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1cc2occc2[nH]1	786030009	LASDFUIKPBFRKQ-VIFPVBQESA-N	321.333	1.500	50	20	DDGD	
CN(CC1CC1)C[C@@H]1CCN(S(=O)(=O)CCCCl)C1	881961112	ZXYSFYQHXSQKBG-ZDUSSCGKSA-N	308.875	1.609	50	20	DDGD	
COc1ccccc1OCCC(=O)NNC(=O)C1CCOCC1	894097463	LKKAWWNFGDXWAM-UHFFFAOYSA-N	322.361	1.038	50	20	DDGD	
CCCO[C@@H](C(=O)NNc1cnnn1C)c1ccc(F)cc1C	899143842	QVRONIUPSVCQSY-CQSZACIVSA-N	321.356	1.874	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CC(C)(C)OC(C)(C)C1	785522631	YMVWNMWHQUHGLG-LBPRGKRZSA-N	313.442	1.458	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC(OC(F)F)C1	781205747	NAAPTRKWSJUPBK-UHFFFAOYSA-N	307.728	1.802	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cncn1-c1ccc(F)cc1	780708342	FYSFXQKXUVQHKU-UHFFFAOYSA-N	305.313	1.318	50	20	DDGD	
CS(=O)(=O)c1ccccc1CC(=O)N1CC=C(C#N)CC1	786500003	LXAMXDRPMRGYPM-UHFFFAOYSA-N	304.371	1.315	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc(-c2cnc[nH]2)cc1	899998403	MPXAXJORQVCBCT-UHFFFAOYSA-N	317.418	1.984	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc2occc2[nH]1	786030008	LASDFUIKPBFRKQ-SECBINFHSA-N	321.333	1.500	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1c(OC)ccc2c1CCC2	792451726	COLCZTVPHDAJAB-UHFFFAOYSA-N	307.350	1.373	50	20	DDGD	
COc1coc(C(=O)OC[C@@H](C)CBr)cc1=O	798673714	CBDRATIWJIPFBY-ZETCQYMHSA-N	305.124	1.836	50	20	DDGD	
C=CCN1CC[C@H](OC(=O)/C(C#N)=C\c2ccc(O)cc2)C1=O	798631029	FCAZQFAQJMDEAU-WVUXNXBLSA-N	312.325	1.629	50	20	DDGD	
CC[C@@H]1C[C@H]1NC(=O)NNC(=O)COc1ccc(C)c(C)c1	798120492	MCFUTMVEOBWKBS-TZMCWYRMSA-N	305.378	1.811	50	20	DDGD	
Cc1ncncc1C(=O)NNC(=O)Cc1cccc2ccccc12	1317960671	HFZSJCOWZJYPRT-UHFFFAOYSA-N	320.352	1.942	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1nccc(Cl)c1F	1328756662	MVNPXMXFBOMLFE-UHFFFAOYSA-N	316.789	1.783	50	20	DDGD	
COC1(CO)CCN(C[C@@H](CBr)C2CC2)CC1	701842541	GPWHOPRVNCLAEJ-GFCCVEGCSA-N	306.244	1.881	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccccc1Cl)c1ncn(C)n1	1325947154	MKFTZVLVBAJEFX-MRVPVSSYSA-N	322.756	1.174	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1ccn(-c2ccncc2)n1	1322026482	FJTHIJVOLQXLCA-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
Cc1ccccc1CNC(=O)NNc1nncc(N)c1Cl	1333520728	ICVOEYCCXQRBEU-UHFFFAOYSA-N	306.757	1.847	50	20	DDGD	
O=C(NNC(=O)N1CCC(c2ccsc2)CC1)c1cn[nH]c1	1331537197	PXCGFDDAMRJBIN-UHFFFAOYSA-N	319.390	1.705	50	20	DDGD	
CC(C)c1ccc(NNC(=O)[C@H]2CN3CCN2C[C@H]3C)cc1	1263839471	BRXRVFYSBDKZIT-CZUORRHYSA-N	302.422	1.641	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccn(CCC(F)(F)F)n1	1347004447	QMCYOGBOAASNLL-UHFFFAOYSA-N	318.234	1.522	50	20	DDGD	
CC[C@@]1(C)NC(=O)N(NC(=O)C2CCC(Cl)CC2)C1=O	1520146288	MCPXRSCEWKEZQE-KJHLLKJSSA-N	301.774	1.536	50	20	DDGD	
C[C@@H](C(=O)O)C(=O)NNC(=O)c1cccc(C(F)(F)F)c1	1602804289	GQAMVDYFUVZTCR-ZCFIWIBFSA-N	304.224	1.187	50	20	DDGD	
CC(=NNC(=O)N=c1cc[nH]cc1)c1cccc(-c2nn[nH]n2)c1	1609060907	NDTIREFZQSMZOO-UHFFFAOYSA-N	322.332	1.229	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNc1cccc(-c2nn[nH]n2)c1	1603998955	HKXBRLSDKFLFQJ-JOYOIKCWSA-N	304.354	1.371	50	20	DDGD	
CC(C)(CCNC(=O)NNc1cccc(Cl)n1)C(=O)O	1609674877	ZGYKPASXLMBJQU-UHFFFAOYSA-N	300.746	1.862	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)c1ccnc2[nH]c(O)nc12	1602472805	JIFNPSCRVTWOKI-UHFFFAOYSA-N	313.273	1.119	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ccccc2C(=O)O)n1	1601220783	SUPUCAJFUAKDDQ-UHFFFAOYSA-N	307.697	1.167	50	20	DDGD	
CCOc1ccc(C(=O)NNc2ccc(C(=O)O)cn2)cc1	1605679225	GYQNINANKWZUGQ-UHFFFAOYSA-N	301.302	1.935	50	20	DDGD	
O=C(O)c1c[nH]c2cc(NCc3cccc(B(O)O)c3)ccc12	1608832062	AHFQZAXCZCHMGK-UHFFFAOYSA-N	310.118	1.158	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)Nc1cc(C(=O)O)c2cc[nH]c2c1	1601561605	QSKXTPJMLYXOFO-UHFFFAOYSA-N	311.301	1.832	50	20	DDGD	
Cc1cc(COCC(=O)NNc2cccc(C(=O)O)c2F)no1	1607650886	KWBXQWMPFWPIRY-UHFFFAOYSA-N	323.280	1.480	50	20	DDGD	
COc1ccsc1C(C)=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549321824	VGMDUXREDLXPJA-AAEUAGOBSA-N	323.418	1.460	50	20	DDGD	
O=C(O)CCc1cccc(NC(=O)NN=c2cc[nH]cc2)c1	1611459622	WYUJDOHASJGRHO-UHFFFAOYSA-N	300.318	1.669	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1ccccc1	1549316374	RQAVZRKPMWJUBG-GDBMZVCRSA-N	301.390	1.780	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2ccoc2C(=O)O)cc1	1610510459	KWSBNZBWZFBGAQ-UHFFFAOYSA-N	301.302	1.848	50	20	DDGD	
CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](F)Cl)[nH]n1	1817022425	RLCJNIGUUPDAED-GXSJLCMTSA-N	302.737	1.956	50	20	DDGD	
C[C@H](N)[C@@H](C)NC(=O)NNc1cc(Br)ccc1F	1576105333	PGXCDUOKWOTQHG-NKWVEPMBSA-N	319.178	1.950	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H]1C[C@@H](N)C1(C)C)c1ccccc1	1576939922	ZYPLPJGIMJTMFH-BFHYXJOUSA-N	303.406	1.701	50	20	DDGD	
COCCN(CC(C)C)NC(=O)[C@@H]1NCC[C@@H]2CCCC[C@@H]21	1579026322	POBWGIBKEJAOCP-HRCADAONSA-N	311.470	1.790	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C[C@@H]2C=CCC2)o1	1589774942	ODDKQNQQTURFCQ-SECBINFHSA-N	317.353	1.778	50	20	DDGD	
O=C(CCC1CNC1)NNC(=O)c1ccc(Cl)cc1Cl	1580526852	YIUJENJUVYNOID-UHFFFAOYSA-N	316.188	1.754	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCNC1)c1conc1C1CCCC1	1580732464	DFHGKGOWOREEST-NSHDSACASA-N	306.366	1.093	50	20	DDGD	
C=CCOc1cccnc1C(=O)NNc1ncccc1C(=O)O	1588469369	ALROFWAJAATDBU-UHFFFAOYSA-N	314.301	1.497	50	20	DDGD	
C[C@H]1CC[C@H](NC(=O)NNc2ccc(-c3nn[nH]n3)cn2)CC1	1591772228	LHRFIJRHYCQWMS-HOMQSWHASA-N	316.369	1.467	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1	1590748267	ATADNFKSQCHEJW-AVMBBCFPSA-N	312.333	1.488	50	20	DDGD	
CCc1c(C(=O)NNc2ccc(F)c(C(=O)O)c2)cnn1C	1597410760	IOLGHIVBQJPKPH-UHFFFAOYSA-N	306.297	1.577	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNc1cccc(-c2nn[nH]n2)c1	1591326345	BNYPWSPRWXNSPJ-GFCCVEGCSA-N	304.354	1.371	50	20	DDGD	
Cc1cc(=NNC(=O)Nc2cccc(CCC(=O)O)c2)cc[nH]1	1594325197	GKKOIRMUMQVONY-UHFFFAOYSA-N	314.345	1.978	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)O	1596862658	IHGSNIQFESASIN-IXJPEXDMSA-N	318.329	1.196	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cccc(C(=O)O)c2F)[nH]1	1598960425	XSFKVXGNIRLNBQ-UHFFFAOYSA-N	321.264	1.396	50	20	DDGD	
CC1=CC[C@](C)(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)CC1	1590159901	HOBNNUHQVPNUFF-HNNXBMFYSA-N	313.365	1.841	50	20	DDGD	
CC(C)(C)n1nnc(C(=O)NNc2ccc(C(=O)O)cc2F)n1	1590609611	MAUAFQHEKFXAGM-UHFFFAOYSA-N	322.300	1.022	50	20	DDGD	
COc1ccc(C=NNC(=O)c2ccc(C(=O)O)cc2)c(O)c1	1776099437	HEZBOFXWJHVTES-UHFFFAOYSA-N	314.297	1.863	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)c(C(=O)O)c1	1776090831	CQCJMGPJZORAGC-MRVWCRGKSA-N	302.330	1.711	50	20	DDGD	
CCc1c(C=NNC(=O)c2ccc(C(=O)O)cc2)cnn1CC	1776101300	AXZRSRJJJMLOKM-UHFFFAOYSA-N	314.345	1.928	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=Cc1cc(C(=O)O)c(Cl)s1	1776058197	MYGKQPOGXZYFJT-UHFFFAOYSA-O	324.769	1.538	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)c2cccnn2)c(Cl)c1	1776103388	GQLAHNHCCOVYLP-UHFFFAOYSA-N	304.693	1.592	50	20	DDGD	
O=C(O)COc1cccc(C=NNC(=O)c2cccc(F)n2)c1	1776093603	ALAJQPLUUKGNMS-UHFFFAOYSA-N	317.276	1.448	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3ccncc3)[nH]n2)cc1	14203328	DKUHCXUSAIBBMR-UHFFFAOYSA-N	321.340	1.855	50	20	DDGD	
CCCC(O)(CCC)CC(=O)NNC(=O)Cc1cccnc1	161414258	UTDIWXXJRHSLQD-UHFFFAOYSA-N	307.394	1.493	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	161450446	QKRWKHORZKERSA-MCIONIFRSA-N	315.373	1.588	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)c(F)c1)NNc1ccncc1	162352044	IOPHEJLOXIWTDC-UHFFFAOYSA-N	306.272	1.233	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1ccncc1Cl	162413132	FUOFOCXCPQYJGO-UHFFFAOYSA-N	300.746	1.704	50	20	DDGD	
COc1ccc(NS(=O)(=O)c2ccc(C(=O)NN)cc2)cc1	206927067	QJJFMHAAWGDOCO-UHFFFAOYSA-N	321.358	1.100	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)s1	158657438	LMDJIQBEDCULFI-JQWIXIFHSA-N	324.450	1.729	50	20	DDGD	
O=C(CN1C[C@H]2CCC[C@@H]2C1)NNC(=O)c1ccc(F)cc1	153239713	KXVMEGVFXWMYFJ-CHWSQXEVSA-N	305.353	1.319	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)C(C2CC2)C2CC2)C[C@H](C)O1	156182731	UVJILZKQLRNIMJ-RYUDHWBXSA-N	323.437	1.069	50	20	DDGD	
C#CCN1CCC(C(=O)NNc2cc(F)cc(OC)c2)CC1	156490368	PSXJYWDVDQAZMW-UHFFFAOYSA-N	305.353	1.623	50	20	DDGD	
CNC(=O)/C(C#N)=C/c1cc(OC)c(O)cc1Br	209252072	KHGZRITZKVLCQK-FPYGCLRLSA-N	311.135	1.816	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCCOCc1ccccc1	266992283	ASJSGYHKYODLIP-UHFFFAOYSA-N	309.366	1.942	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCCc2ccccc2)cc1	57979723	QUBXQAGXIQBVGD-UHFFFAOYSA-N	308.341	1.745	50	20	DDGD	
COc1ccc(C[C@@H](C)CNC(=O)NNc2ncccn2)cc1	179521386	LXVZFIRZIFVYGA-GFCCVEGCSA-N	315.377	1.990	50	20	DDGD	
Cc1c(C(=O)NNC(=O)Cc2cccnc2)cnn1C(C)(C)C	171510854	NBIWOKNNDJPTGT-UHFFFAOYSA-N	315.377	1.345	50	20	DDGD	
CCCOCC(=O)NNC(=O)c1cccc(Br)c1	174536590	TUHLMYQOJYDBIU-UHFFFAOYSA-N	315.167	1.637	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccnc(Cl)c1	26690539	RITDOXVFNAVEKU-UHFFFAOYSA-N	319.704	1.539	50	20	DDGD	
C[C@H]1CCCC[C@H]1OCC(=O)NNC(=O)c1ccccc1O	113414017	BHUWQFVVDNZXCY-SMDDNHRTSA-N	306.362	1.749	50	20	DDGD	
O=C(CC[C@H]1CCCCO1)NNC(=O)c1ccc(Cl)nc1	110634350	YSUDKRXKQQQXDT-LLVKDONJSA-N	311.769	1.845	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCc1cccs1	66907746	KVCQWGXIPQASHR-UHFFFAOYSA-N	307.350	1.960	50	20	DDGD	
CCc1cc(NNC(=O)[C@H]2CCCO2)nc(-c2ccccn2)n1	115156549	PCRFMOOUZDPVCO-CYBMUJFWSA-N	313.361	1.723	50	20	DDGD	
CCNC(=O)c1ccc(NC(=O)NNC(=O)C(C)(C)C)cc1	179768197	NRZSUYQJSXKNDL-UHFFFAOYSA-N	306.366	1.635	50	20	DDGD	
C[C@H](CCOc1ccccc1)C(=O)NNC(=O)c1ccncc1	174192195	LQBDPYDGUISVFM-CYBMUJFWSA-N	313.357	1.948	50	20	DDGD	
Cn1ccnc(NNC(=O)c2cc(F)c(Cl)cc2F)c1=O	129097335	GTPMWGWCQQVUSS-UHFFFAOYSA-N	314.679	1.469	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H]1CCCCN1Cc1ccccc1	120806212	FEHWVNWAYOAHBP-CQSZACIVSA-N	305.378	1.818	50	20	DDGD	
O=C(NNc1ncccn1)C(=O)Nc1ccc(Cl)c(F)c1	120052420	FJNTXENBBSMLHS-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2ccc(Cl)nn2)CN1C1CC1	127664685	YXTANMJIUMWPSU-DTWKUNHWSA-N	310.789	1.381	50	20	DDGD	
O=C(/C=C/c1cccnc1)NNC(=O)CCOc1ccccc1	129206922	SQBBZDNAKUWLJV-CMDGGOBGSA-N	311.341	1.711	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNC(=O)c2ccccn2)cn1	32477537	FRUQLPDMOXGPQU-UHFFFAOYSA-N	300.318	1.339	50	20	DDGD	
CC(C)c1nn(C)c2sc(C(=O)NNC(=O)NC3CC3)cc12	79759751	UZAKLEMNJRINGS-UHFFFAOYSA-N	321.406	1.865	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1	79456174	DCXSGGSADOXDHC-VIFPVBQESA-N	324.347	1.247	50	20	DDGD	
CCC(=O)NNC(=O)c1cc(OC)ccc1Br	70691698	CXRDLBOPFFAPFB-UHFFFAOYSA-N	301.140	1.629	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NNC(=O)c1cc(-c2ccccc2)on1	79391547	FIDAQDZPRXTMEW-RISCZKNCSA-N	315.329	1.528	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1cccc(OCCF)c1	186622350	RHQPFVTVTZZNKJ-UHFFFAOYSA-N	320.324	1.840	50	20	DDGD	
CCC[C@H]1C[C@H](C(=O)NNc2cc(Cl)nc(N)n2)CCO1	134099718	JJTNAWGCVQGSHN-BDAKNGLRSA-N	313.789	1.751	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)CC(F)(F)F	45007067	HANNTVSCJNIGNZ-UHFFFAOYSA-N	300.240	1.356	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)[nH]n1	44005659	IHRFEQLAKJWNAC-UHFFFAOYSA-N	317.305	1.345	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(C#N)[nH]2)c1	132071928	HCJKUIRPUSPDDL-UHFFFAOYSA-N	312.329	1.343	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(C#N)[nH]2)c1	132036656	WLANGWHZRYVDLD-UHFFFAOYSA-N	312.329	1.343	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@H]1CCN(c2ncccc2F)C1	132689654	DCVGAYXMHIPNMO-ZKQHCESOSA-N	304.325	1.360	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccccc1SCC#N	139637155	GTUMUPYWCWZUPR-UHFFFAOYSA-N	322.390	1.283	50	20	DDGD	
CCc1cnc(NC(=O)NNc2nc3ccccn3n2)s1	192291969	PAKJHXCJBQFFEJ-UHFFFAOYSA-N	303.351	1.897	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1ccc(N2CCOCC2)cc1	195317865	OYVITLFGEDHFND-PTNGSMBKSA-N	321.402	1.279	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1cccnc1Cl	83064621	DDIXHMVWMOREIW-UHFFFAOYSA-N	305.725	1.525	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)NC(C)C)c(F)cc1F	84650079	VUGORHLQBBLLKY-UHFFFAOYSA-N	307.322	1.174	50	20	DDGD	
CNC(=O)c1ccc(Cl)c(NC(=O)NNC(=O)OC)c1	48488574	YYTMXOLPIJRJOA-UHFFFAOYSA-N	300.702	1.092	50	20	DDGD	
O=C(CN1CCc2ccsc2C1)NNC(=O)c1cccs1	132595524	QOCOANVRVJHQAL-UHFFFAOYSA-N	321.427	1.629	50	20	DDGD	
Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NNC(=O)C(C)(C)O	190072751	UXCBJDZBXJCKNV-LBPRGKRZSA-N	321.421	1.983	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNc1cnc2ccccc2n1	193555609	FTCZXQDDZOGCMC-UHFFFAOYSA-N	315.377	1.722	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)C(C)(C)c2ccccc2)n1	192777472	XFXWCPBBDYIJKU-UHFFFAOYSA-N	314.389	1.625	50	20	DDGD	
C[C@@H](C(=O)NNc1ccccc1OC(F)(F)F)n1cncn1	190196744	QMHZHLDIFTWGQR-QMMMGPOBSA-N	315.255	1.881	50	20	DDGD	
COCc1cccc(CC(=O)NNc2nc(C)cc(OC)n2)c1	190056312	JLDVUFYWJUNBQJ-UHFFFAOYSA-N	316.361	1.626	50	20	DDGD	
CCOC(=O)N1CCN(S(=O)(=O)CCCCCl)CC1	163390568	INPRVXBUUGKBFA-UHFFFAOYSA-N	312.819	1.109	50	20	DDGD	
COc1ccccc1C(=O)NN=C1C(=O)N(C)c2ccccc21	254392100	PPXMZNAINLHHCU-UHFFFAOYSA-N	309.325	1.806	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)CCCc1ccccc1)[C@@H]1CCOC1	266794095	SVWRVGSOCWQWSY-UKRRQHHQSA-N	319.405	1.765	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@](C)(O)Cc2ccccc2)n1	266779008	BZVWUSKHBMNUPA-INIZCTEOSA-N	300.362	1.530	50	20	DDGD	
CCOC(=O)NCC(=O)NNc1ccc(OC(F)F)cc1	269666748	VUUNYUDMWISYMJ-UHFFFAOYSA-N	303.265	1.477	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)NCCCc1ccccc1	267119126	ANHJEASGZPOFFA-ZDUSSCGKSA-N	323.393	1.001	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCSC[C@@H]1C	265688521	MJUMJYODPVXBAU-JTQLQIEISA-N	309.391	1.487	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CCCN2C2CCCC2)nc(C)n1	269619481	CSEVPCJLZXFYFD-AWEZNQCLSA-N	303.410	1.944	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@]2(C)CCO[C@@H]2C2CC2)o1	368769545	HRIDJGCMOWGGOD-CZUORRHYSA-N	321.377	1.737	50	20	DDGD	
C[C@H]1CSCCN1C(=O)NNC(=O)COCc1ccccc1	265674202	FNTKXVMAORXHPR-LBPRGKRZSA-N	323.418	1.381	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NNC(=O)c1ccncc1	266758278	FUPYWIVBZPNFGF-UHFFFAOYSA-N	321.768	1.209	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)COCc2ccccc2)CCO1	271850812	CELZELGWFXVXRL-GXTWGEPZSA-N	306.362	1.166	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(-c2ccc(OC)cc2)n[nH]1	272487093	AMFOZMVPVBJXMN-UHFFFAOYSA-N	317.349	1.391	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12	276705794	JFICLKWAYCVYNL-IINYFYTJSA-N	306.391	1.287	50	20	DDGD	
Cc1nc2cc(F)c(F)cc2n1CC(=O)NNC(=O)C(C)(C)C	279878607	JZXFICXONWAMEZ-UHFFFAOYSA-N	324.331	1.816	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H](C)CCCOC)nc1C	272176551	KRRMBGQNMVXREQ-JTQLQIEISA-N	324.381	1.468	50	20	DDGD	
CO[C@@]1(C)CCCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1	279284281	KLTNCQQRHRNIRR-INIZCTEOSA-N	323.368	1.088	50	20	DDGD	
N#CC1=CCN(C(=O)CCn2c(O)nc(=O)c3ccccc32)CC1	271156474	VMDCKNUVAMSJPU-UHFFFAOYSA-N	324.340	1.174	50	20	DDGD	
COc1ccnc(NNC(=O)c2csc([C@@H]3CCCO3)n2)n1	270052792	RQHNWQYKQAZLCZ-VIFPVBQESA-N	321.362	1.550	50	20	DDGD	
C[C@@](O)(CNC(=O)/C(C#N)=C\c1ccc(O)cc1)C(F)(F)F	279937717	RHSYTDOOWZRNSD-AGEOTTOMSA-N	314.263	1.729	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(CC#N)cc1	288136314	ZLNDZJFEQKIMFR-UHFFFAOYSA-N	319.361	1.303	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1	376644659	ROBAQVSRWZIZSY-CYBMUJFWSA-N	319.361	1.263	50	20	DDGD	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NN(C)C(N)=O	281114103	HPZFIWGROLIYHR-UHFFFAOYSA-N	322.365	1.997	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCc1ccc2ccccc2n1	291482292	AKISSDLKKAPVSW-UHFFFAOYSA-N	300.362	1.860	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc(C(F)(F)F)nc1O	294241084	SCQIYNVVDNNCLH-UHFFFAOYSA-N	303.240	1.367	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)c1ccncc1	297363370	UMXSAPOQNIVKAS-DRZSPHRISA-N	306.366	1.431	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)Cc1ccc(Cl)s1	801483960	NQDSVADPQCFEAB-ZETCQYMHSA-N	318.782	1.433	50	20	DDGD	
O=C(NNc1cccnc1Cl)[C@@H]1COCCN1C1CCCC1	807033537	TVDLCYIHVIPOAS-ZDUSSCGKSA-N	324.812	1.822	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1nc(-c2ccccc2)no1	298076660	LMMKSCCBPQQXTL-UHFFFAOYSA-N	301.306	1.689	50	20	DDGD	
CC(=O)c1cccc(OCCCC(=O)NNC(=O)CC2CC2)c1	294070566	HARUBGVZYTVBNV-UHFFFAOYSA-N	318.373	1.996	50	20	DDGD	
COC(=O)Nc1ccccc1C(=O)NNC(=O)[C@@H]1CCCCO1	295798663	VIMFYYPDHPGYAS-LBPRGKRZSA-N	321.333	1.195	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(C)c(OC)cc1Cl	808899092	PAJQKCUSNFWQIA-UHFFFAOYSA-N	315.757	1.846	50	20	DDGD	
CN(C)C(=O)c1cccc(C(=O)NN(C)C(=O)OC(C)(C)C)c1	297592979	IOHXGOFVSOFQEX-UHFFFAOYSA-N	321.377	1.900	50	20	DDGD	
C[C@@H]1COCC[C@@H]1CNC(=O)NNC(=O)CCc1ccccc1	805821175	FQFMLNLCRCTBQZ-UKRRQHHQSA-N	319.405	1.622	50	20	DDGD	
CCc1cc(NNC(=O)C=NOC)nc(-c2ccccn2)n1	809678174	WZHYVMJYVZGINR-UHFFFAOYSA-N	300.322	1.176	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NNc1ccc(F)c(F)c1F	802826963	RISSQSILDRSZRE-LLVKDONJSA-N	315.295	1.948	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(C(F)(F)F)cn1	292045451	AZSLMRNFKLFHHZ-VIFPVBQESA-N	303.240	1.040	50	20	DDGD	
CC(=O)N[C@H](CC(=O)NNc1cccc(F)n1)c1cccs1	804763022	GGDPCXUXQUKYNG-SNVBAGLBSA-N	322.365	1.993	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccc(Cl)cc1)[C@@H]1CCCCO1	295831266	ZESRDOLQXFIYLD-NWDGAFQWSA-N	312.753	1.090	50	20	DDGD	
COC(=O)Cc1occ(C)c1C(=O)NNC(=O)CC(C)(C)C	290594269	XGCRUKHNOYUVQJ-UHFFFAOYSA-N	310.350	1.501	50	20	DDGD	
CCOc1cccc(NC(=O)C(=O)NNc2ncccc2F)c1	807302058	VYAYAIGOJLBPJR-UHFFFAOYSA-N	318.308	1.701	50	20	DDGD	
O=C1COc2c(cccc2NC(=O)NNC(=O)C2CCCC2)N1	810258058	YGWGYECDPSEVKW-UHFFFAOYSA-N	318.333	1.360	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CC[C@@H](C(=O)O)C2)cc1	818240117	VVULZPLUSMPCCI-OZYJXZHSSA-N	314.341	1.925	50	20	DDGD	
CN(C)c1noc(CNC(=O)NNc2ccc(Cl)nc2)n1	812217813	CGGGUPUAJBBPRW-UHFFFAOYSA-N	311.733	1.010	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)c1cc(Cl)ccc1O	811637059	STRWUYVUGWAZGN-JTQLQIEISA-N	309.753	1.820	50	20	DDGD	
Nc1ncc2c(n1)CCCC2=NNC(=O)Cc1ccc(F)cc1	814757372	YHRGUQTXKCNJLJ-UHFFFAOYSA-N	313.336	1.597	50	20	DDGD	
Cc1ccc(-c2n[nH]cc2C=NNC(=O)c2cnccn2)cc1	818288198	ZRTIGRHGDYLEDY-UHFFFAOYSA-N	306.329	1.939	50	20	DDGD	
CC[C@H](C)C(=O)NN=Cc1ccc(Cl)c(S(N)(=O)=O)c1	814808087	BDXHIMWISMPXBH-QMMMGPOBSA-N	317.798	1.484	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1ccc(F)cc1Br	816634882	VWPMQLCDHPOGDA-UHFFFAOYSA-N	300.091	1.463	50	20	DDGD	
Cc1nsc(C)c1C(=O)NNC(=O)COc1ccccc1F	814102331	CSFQAXCSXMJCLC-UHFFFAOYSA-N	323.349	1.739	50	20	DDGD	
C=C[C@@H](O)C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1	816830032	OBQVHEQMHLDAHZ-LLVKDONJSA-N	320.345	1.862	50	20	DDGD	
CCNC(=O)NN=C(C)c1nnn(-c2ccc(F)cc2)c1C	814817130	DCHWYIIAEAPMCB-UHFFFAOYSA-N	304.329	1.758	50	20	DDGD	
C[C@@](O)(C(=O)NNc1ccc2c(=O)[nH]ccc2c1)C1CCC1	813581356	ZHYFTPVMWCXJHV-INIZCTEOSA-N	301.346	1.522	50	20	DDGD	
CCC(=NNC(=O)C(=O)N1CCCC1)c1ccc(Cl)c(N)c1	814823879	AKOZKYYCCRVXOK-UHFFFAOYSA-N	322.796	1.775	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1ccc(C)c(C)c1O	728157102	UHPMQZSFQZKAIT-UHFFFAOYSA-N	303.362	1.472	50	20	DDGD	
O=C(NCc1ccccc1)[C@@H]1CCN(S(=O)(=O)CCl)C1	828082990	QRVUAPBJGUBZJD-GFCCVEGCSA-N	316.810	1.151	50	20	DDGD	
CCn1cc(NC(=O)NNc2ccc(-c3nn[nH]n3)cc2)cn1	825799461	LIJLIHLDEOFTLC-UHFFFAOYSA-N	313.325	1.232	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)cc1	824037274	IAFTYERMTFENNT-SLEUVZQESA-N	317.389	1.691	50	20	DDGD	
O=C(/C=C/c1ccccc1)NNc1ccc(-n2ccnc2)nn1	492921411	LDMPLQZUZHVODP-RMKNXTFCSA-N	306.329	1.819	50	20	DDGD	
CSCCNC(=O)NNC(=O)c1cc(Br)c[nH]1	726278627	KKCQIEDPWHFLGA-UHFFFAOYSA-N	321.200	1.084	50	20	DDGD	
COc1ccc2nc(SCC(=O)NNC(=O)C(C)C)[nH]c2c1	828365186	QCSRQLBMCSFLLE-UHFFFAOYSA-N	322.390	1.467	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)N[C@H]1CCC(=O)N(C)C1=O	824788140	JWWKGMTZGLYHCS-LBPRGKRZSA-N	318.377	1.331	50	20	DDGD	
CC(=NNC(=O)c1ccc[nH]1)c1ccc(-c2nn[nH]n2)cc1F	823948192	GIOJQFJVKBLPQC-UHFFFAOYSA-N	313.296	1.488	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC(OCCOC(C)C)CC1	491173732	FEQNPDDYNOAYDH-WYMLVPIESA-N	310.394	1.863	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)Cc1nnc(C)s1	825222214	BKOQNJCIXOVKGT-UHFFFAOYSA-N	309.303	1.911	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(F)cc1)n1cc([N+](=O)[O-])cn1	726524391	GULKRAZEBQCJIL-UHFFFAOYSA-N	307.285	1.809	50	20	DDGD	
Cc1ccc(C#N)cc1C(=O)NNC(=S)NCC1CCC1	824437761	ZTMZTYRVKGGDLC-UHFFFAOYSA-N	302.403	1.776	50	20	DDGD	
CC(C)(C)OC(=O)C1(C(=O)NNC(=O)C(C)(C)C)CC=CC1	822250882	AZTKFHXFUAJKMD-UHFFFAOYSA-N	310.394	1.858	50	20	DDGD	
CCCCNC(=O)NNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1	491490758	CGIDNFWXNLHPQA-TWGQIWQCSA-N	306.322	1.739	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)OC(C)(C)C)c1ccnn1C	495857807	TUEFFZBMFUIUEL-UHFFFAOYSA-N	323.397	1.565	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCCN2CCCC2(C)C)cn1	491084477	NZXBHEFFCCWSBF-ZROIWOOFSA-N	301.394	1.318	50	20	DDGD	
CO[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1ccccc1	826166299	DUBHYPUQEFXVCX-CQSZACIVSA-N	324.344	1.698	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C[C@@H](C)NC(=O)c1ccccc1	822235524	LCMXQICVSIAORZ-GFCCVEGCSA-N	305.378	1.389	50	20	DDGD	
CCCCC[C@@H](O)C(=O)NNC(=O)c1cccc(N(C)C)c1	822223105	HDBDDSXHDONZGJ-CQSZACIVSA-N	307.394	1.455	50	20	DDGD	
C[C@H](CNC(=O)/C(C#N)=C\c1cnn(C)c1)N(C)c1ccccc1	491045349	DWQWERWGGVUVRG-SLVCOGOPSA-N	323.400	1.968	50	20	DDGD	
OB(O)c1cccc(CN[C@H]2CC[C@@H](c3ccccc3F)C2)c1	585040048	YWOALSJQSKHARR-ZBFHGGJFSA-N	313.181	1.931	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	823315870	VTVGSTHYWOBMPX-CQSZACIVSA-N	316.361	1.448	50	20	DDGD	
CSCc1c(C(=O)N2CC[C@H](B(O)O)C2)oc2ccccc12	585074075	IXEIENMWBOBMNI-JTQLQIEISA-N	319.191	1.985	50	20	DDGD	
Cn1c(=NNC(=O)[C@@H](N)CC(F)F)sc2ccccc21	826618090	FZLBIFHWWYAAFY-ZETCQYMHSA-N	300.334	1.154	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F	822384163	LFIIOTPENZRCTN-BDAKNGLRSA-N	316.283	1.148	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1CCC[C@@H]1c1ccccc1	823151624	AAUPHVURUIDVBC-CABCVRRESA-N	312.373	1.684	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1cc(C(=O)OC)n(C)c1	491083351	LFBJCTSLZLJKJJ-JYRVWZFOSA-N	319.361	1.261	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCO[C@H](CC(=O)O)C1	909266775	KRVJSHPLXJTGKH-SCZZXKLOSA-N	322.199	1.498	50	20	DDGD	
COc1ncccc1C(=O)NNC(=O)COc1ccccc1F	906288084	POXTWLRPOPEFMZ-UHFFFAOYSA-N	319.292	1.069	50	20	DDGD	
CN1C(=O)CCC[C@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	908506125	ZGUFVLISHIWBGZ-VIFPVBQESA-N	316.283	1.554	50	20	DDGD	
C=CC[C@H](NC(=O)NNC(=O)CC(F)(F)F)c1ccncc1	734679945	KZSRVRDCTYTUER-JTQLQIEISA-N	316.283	1.982	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCC2(c3ccccn3)CCC2)cn1	491079893	BVZZGLUEFIHQJT-OQLLNIDSSA-N	321.384	1.960	50	20	DDGD	
C[C@]1(C(=O)NCc2nnc3n2CCCC3)C[C@H]1Br	906238462	DYGBHBRKXHANPV-PELKAZGASA-N	313.199	1.404	50	20	DDGD	
CC(C)CCOc1cccc(NCc2ccc(B(O)O)o2)c1	585012221	PYZBCJSRMQRNGY-UHFFFAOYSA-N	303.167	1.996	50	20	DDGD	
C[C@@]1(C(=O)N2CCC(CCC(N)=O)CC2)C[C@@H]1Br	907191745	WSDNOZMMXGFROB-GXFFZTMASA-N	317.227	1.664	50	20	DDGD	
CCCN1CCC[C@@H](C(=O)NNC(=O)c2cccc(C)n2)C1	907892071	KTKLOCKAPCHVJD-CYBMUJFWSA-N	304.394	1.273	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNc1cc(C#N)cc(Cl)n1	839719128	ZISMRTXSKIQMGW-VIFPVBQESA-N	310.741	1.639	50	20	DDGD	
C[C@H](NS(=O)(=O)CCl)c1ccc2c(c1)CC(=O)N2C	830378299	FUNLWCIFOJKPQO-QMMMGPOBSA-N	302.783	1.382	50	20	DDGD	
O=C(O)CCCN1CCC(=NNC(=O)CC2CCCC2)CC1	739672479	JKXRQHRUDJZYSL-UHFFFAOYSA-N	309.410	2.000	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCCN2C2CC2)c1F	837061945	WKGGUPVOBHOETF-CYBMUJFWSA-N	321.352	1.682	50	20	DDGD	
CC(C)(CNC(=O)[C@]1(C)C[C@@H]1Br)N1CCOCC1	905210667	RGQRUKHSJLKBOI-GXFFZTMASA-N	319.243	1.387	50	20	DDGD	
C=CC(C)(C)CNC(=O)NNC(=O)COc1cccc(C)c1	836193584	KGUROBFVJQTEEZ-UHFFFAOYSA-N	305.378	1.916	50	20	DDGD	
OB(O)c1ccccc1CN[C@H]1CC[C@H](c2cccc(F)c2)C1	585038489	AQZBOLIJAVJMOG-YOEHRIQHSA-N	313.181	1.931	50	20	DDGD	
COc1cccc(C(=O)N2CC[C@@H](B(O)O)C2)c1OC(C)C	585065846	HAVHZIPPVSCUCH-LLVKDONJSA-N	307.155	1.171	50	20	DDGD	
COC(=O)[C@@H](CNS(=O)(=O)CCl)c1ccc(F)cc1	831280821	OFTJLBJVOHNORF-JTQLQIEISA-N	309.746	1.198	50	20	DDGD	
OB(O)c1ccc(CNCCSCc2ccsc2)cc1	585019052	ABWRJUGMRYDNFL-UHFFFAOYSA-N	307.249	1.451	50	20	DDGD	
CC[C@@H](C)c1ccccc1OCC(=O)N1CC[C@H](B(O)O)C1	585068573	DRZVDUBHEZXTHR-OLZOCXBDSA-N	305.183	1.654	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H]2CCc3ccccc3O2)n1	839515827	AXKNBQDDUVHUKZ-GFCCVEGCSA-N	300.318	1.322	50	20	DDGD	
Cc1ccn2cc(CNC(=O)NNc3ccc(C)nn3)nc2c1	730066970	QTVOWMAJKOZKSI-UHFFFAOYSA-N	311.349	1.567	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCO[C@@H](C)C2)c1F	837060387	BQVWRDOJPTZLLY-UWVGGRQHSA-N	310.325	1.871	50	20	DDGD	
COc1ccc(OC(C)(C)C(=O)NNc2cccnn2)cc1	832043915	JPOBYPCLUJLKRI-UHFFFAOYSA-N	302.334	1.786	50	20	DDGD	
COc1ccc(C=NNC(=O)C(=O)NC2CC2)c2ccccc12	915956177	SGJHITCSQZWNRK-UHFFFAOYSA-N	311.341	1.577	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C(CC)(CC)CO)nc1C	847673779	KBMMVANSTNDJBC-UHFFFAOYSA-N	324.381	1.204	50	20	DDGD	
CNC(=O)CCCNC(=O)NNc1ccc(Cl)cc1F	914308993	BXTXOJXFHIYZRG-UHFFFAOYSA-N	302.737	1.631	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F	910169301	AITJRJKVPAUEJC-MRVPVSSYSA-N	322.331	1.614	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cc1cn2ccccc2n1)C1CC1	747663416	OZVGKXKIPLYPEV-SNVBAGLBSA-N	317.418	1.171	50	20	DDGD	
CC(F)(F)CCC(=O)NNC(=O)COc1ccccc1F	915685053	LLEJMLJRQNNTAE-UHFFFAOYSA-N	304.268	1.787	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)Nc1ccc(Cl)cc1)C(=O)O	848584061	MVZYAXOZTFSPSR-ZETCQYMHSA-N	314.729	1.396	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H](CC(C)C)OC)c1	841007307	UXGGEUZPZPHFMG-CQSZACIVSA-N	324.377	1.526	50	20	DDGD	
C=CCNC(=O)COC(=O)/C(C#N)=C\c1ccc(OCC)cc1	849205020	LPMNMRRDBFGSDN-UVTDQMKNSA-N	314.341	1.838	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)COCc1ccccc1)n1ccnc1	844397645	HWNSJMMUHXDLMP-CYBMUJFWSA-N	316.361	1.198	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[C@@H]2CNC[C@H]2C1	842014625	IEGZEHJPQTUTAD-IJLUTSLNSA-N	319.365	1.609	50	20	DDGD	
CSc1ccc(C(C)=NNC(=O)CN2CCCC2=O)cc1	916357922	RRXIOSRBOWRLKK-UHFFFAOYSA-N	305.403	1.871	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNc1ncc(Br)cn1	848321583	XZLZTKCJJVIMBO-SNVBAGLBSA-N	303.160	1.233	50	20	DDGD	
Cc1ccc(NC(=O)NN)cc1S(=O)(=O)N1CCCCC1	841007995	WLEUAXNNZQFOHY-UHFFFAOYSA-N	312.395	1.165	50	20	DDGD	
COc1ccc(-c2nc(C(=O)NN(C)C[C@@H](C)O)cs2)cc1	910179036	IDQIDYSDENFPCN-SNVBAGLBSA-N	321.402	1.776	50	20	DDGD	
O=C(O)NNC(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1	740002701	ZVGOIKLJHBARIL-VIFPVBQESA-N	313.285	1.688	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCC2=CCNCC2)c1	841987894	DCYYOIAVDLIVPH-UHFFFAOYSA-N	318.377	1.409	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)C(C1CC1)C1CC1	842262976	YHTYTAIDBYYHIC-UHFFFAOYSA-N	309.391	1.213	50	20	DDGD	
CC(C)[C@H](NC1CCOCC1)C(=O)NNC(=O)C1CCCC1	743304566	JLVHNZYQQUKQNM-AWEZNQCLSA-N	311.426	1.117	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1c(F)cc(C#N)cc1F	843651170	AFUCJRUJNVDSNR-APPZFPTMSA-N	309.272	1.022	50	20	DDGD	
CS(=O)(=O)c1ccc(C=NNC(=O)c2ccccc2F)cc1	918153845	QCBKCGGOVGYBNI-UHFFFAOYSA-N	320.345	1.993	50	20	DDGD	
CCOc1ccc(C=NNC(=O)[C@H](C)OCCOC)c(O)c1	748256353	ANTDJGDBQPJYPZ-NSHDSACASA-N	310.350	1.293	50	20	DDGD	
CCO[C@@H]1COC[C@H]1NS(=O)(=O)c1ccc(CCl)cc1	916153970	RBAKRRLYGJZBSR-CHWSQXEVSA-N	319.810	1.508	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNC(=O)CCc1ccccc1)C(=O)O	848592804	NRJHGVBBRWUXKE-CYBMUJFWSA-N	321.377	1.306	50	20	DDGD	
CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NNc1nnc(C)c(O)n1	743295212	IBKLQGZJZSSIIA-USWWRNFRSA-N	323.397	1.703	50	20	DDGD	
CCOc1cc(C=NNC(=O)[C@H]2CCO[C@H]2C)ccc1OC	842557530	PPXIRZHWMQYTSJ-AAEUAGOBSA-N	306.362	1.969	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)Cn1nnc2c1CCCC2	847600086	BMEYMESXFPJXBP-UHFFFAOYSA-N	303.341	1.748	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H]2CCSc3ccccc32)nc1O	743296158	VVKCCWIUQYFTSH-SNVBAGLBSA-N	317.374	1.608	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H](C)[C@@H]2CCCNC2)cc1	841928850	SZAOGQRBAHXBIR-IUODEOHRSA-N	318.421	1.581	50	20	DDGD	
O=C(C[C@@H]1C(=O)Nc2ccccc21)NNC(=O)CC(F)(F)F	748838102	IORZYCVQJSLSFK-QMMMGPOBSA-N	315.251	1.212	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H](C)C(F)(F)F	742478950	XUVACBYJKPTTMR-SFYZADRCSA-N	322.258	1.939	50	20	DDGD	
COCCN(C)NC(=O)c1cc(Cl)ccc1-n1cncn1	843881878	GUGPBQZSEJDUNA-UHFFFAOYSA-N	309.757	1.144	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(OC)c2ncccc12	756238952	ZWVOJGJJWXKOAG-UHFFFAOYSA-N	318.333	1.433	50	20	DDGD	
CN1CCc2ccc(NC(=O)NNC(=O)c3ccncc3)cc21	757912771	FVPVBANQCOKYJH-UHFFFAOYSA-N	311.345	1.540	50	20	DDGD	
O=C(Cc1cc(Cl)cc2c1OCC2)NNc1ncccn1	754966859	UKUUXOPOCPGMTR-UHFFFAOYSA-N	304.737	1.751	50	20	DDGD	
Cc1cc(NNC(=O)NCCN2CCCC2=O)ccc1Cl	923072913	JRKAEDUESACHNF-UHFFFAOYSA-N	310.785	1.897	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccn(-c2ccccc2)n1	755484168	OICWLEPILFEDRN-UHFFFAOYSA-N	303.322	1.062	50	20	DDGD	
Cc1ccc(C)c(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1	920381678	SHSCMBJCURXPRR-ZDUSSCGKSA-N	309.391	1.124	50	20	DDGD	
C[C@H](NC(=O)NC[C@]1(C)C[C@H]1Br)c1ccn(C)n1	856864950	RBWHXEMEMZFSCO-XRNSZHNASA-N	315.215	1.954	50	20	DDGD	
O=C(NN=Cc1cccc(Cl)c1F)C(=O)Nc1ccccn1	759666099	LTPXHMNRXAEJQH-UHFFFAOYSA-N	320.711	1.963	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2ccc([N+](=O)[O-])cc2F)CC1	855622290	CHGDZDPTLJNWHK-UHFFFAOYSA-N	311.269	1.520	50	20	DDGD	
CCc1c(C(=O)NC[C@]2(C)C[C@H]2Br)cnn1C	857398568	OHOCIBCGGSSTHI-PWSUYJOCSA-N	300.200	1.886	50	20	DDGD	
CC1(C)[C@H](O)C[C@H]1NC(=O)NC[C@@]1(C)C[C@H]1Br	856951533	ACGDCPCXLILOBD-MFYTUXHUSA-N	305.216	1.619	50	20	DDGD	
CCCc1occc1C(=O)NN(C)C(=S)NCCCOC	854285434	KQGYDLNAEVTWCQ-UHFFFAOYSA-N	313.423	1.720	50	20	DDGD	
C[C@@]1(CNC(=O)c2cccc(C(N)=O)n2)C[C@H]1Br	857393189	FBPKBUDJJOVMND-SKDRFNHKSA-N	312.167	1.084	50	20	DDGD	
COCCCNC(=O)NN=Cc1cc2ccccc2nc1OC	755668447	MKMXWYFSHLRBLW-UHFFFAOYSA-N	316.361	1.913	50	20	DDGD	
CC1=C(C(=O)NNc2ccccc2S(C)(=O)=O)CCCO1	756003387	OVGYYEWQJZCRKW-UHFFFAOYSA-N	310.375	1.618	50	20	DDGD	
Cc1nn(CC(F)F)cc1C(=O)NNC(=S)NC(C)(C)C	929428911	IJOPXMCPVHYHHY-UHFFFAOYSA-N	319.381	1.364	50	20	DDGD	
C[C@H]1C[C@@H](C)N(CC(=O)NNC(=O)c2cccc(C#N)c2)C1	756523062	BLTAWUPFLJXGTI-NWDGAFQWSA-N	300.362	1.050	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H]1OCCc2ccccc21)C1CC1	855099005	PRQIPQMKKKLFPZ-IINYFYTJSA-N	319.430	1.594	50	20	DDGD	
O=S(=O)(CBr)N1CCC([C@@H]2CCCN2)CC1	850587318	WKGVCNHVKLPLJS-JTQLQIEISA-N	311.245	1.133	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1ccn(-c2ccccc2)n1	755486004	RDHZNGJIFCNQQU-UHFFFAOYSA-N	324.344	1.677	50	20	DDGD	
CCC(=NNC(=O)CNC(=O)c1cccs1)c1nccn1C	755678570	JMMWXKQUOZUIKJ-UHFFFAOYSA-N	319.390	1.142	50	20	DDGD	
CSc1ccc(O)c(C(=O)NNC(=O)CC(F)(F)F)c1	854997288	CQEPPNDAZXWTOQ-UHFFFAOYSA-N	308.281	1.828	50	20	DDGD	
C[C@]1(CNC(=O)NCCn2cccn2)C[C@H]1Br	856840029	RPTXPUSLPQJWIB-MWLCHTKSSA-N	301.188	1.356	50	20	DDGD	
COc1cccc([C@@H](O)C(=O)NNC(=S)N[C@@H](C)C2CC2)c1	855098114	DNLKSGKZLVRWHB-TVQRCGJNSA-N	323.418	1.022	50	20	DDGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12)C(=O)Nc1ccccn1	758382966	ZNAZUZYOBBEWAS-VOAKCMCISA-N	312.373	1.948	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cccnc2S)nc1	759734836	VQGDYUICRMASQV-UHFFFAOYSA-N	304.331	1.309	50	20	DDGD	
O=C(NNC(=O)C1CC2(CC2)C1)c1cc(Br)c[nH]1	854291647	IAGFNPOSUZTWJM-UHFFFAOYSA-N	312.167	1.728	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1sc(C)cc1Br	854927741	QPKPPULJMARQCV-UHFFFAOYSA-N	322.253	1.900	50	20	DDGD	
CC(C)n1ccc(CNC(=O)NNc2ncc(Cl)cn2)n1	856867677	XGSJXBBZZXWAPX-UHFFFAOYSA-N	309.761	1.734	50	20	DDGD	
O=C(CNc1ccccc1Cl)NNc1ncnc2[nH]cnc12	750243249	YSXTXVZNORDEKR-UHFFFAOYSA-N	317.740	1.562	50	20	DDGD	
CC(C)Oc1cccc(C(=O)NNC(=O)NC2CCCC2)n1	755164940	HPDOFOFLPBTPHM-UHFFFAOYSA-N	306.366	1.755	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNC(=O)CCOc1ccccc1	858918967	YDONCFLXGACWGW-CQSZACIVSA-N	308.378	1.808	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)Cn2ccc3ccccc32)c[nH]1	753165970	UIDIVMIMBWKLED-UHFFFAOYSA-N	324.340	1.906	50	20	DDGD	
Cc1nnc([C@H](C)NC(=O)NNC(=O)c2ccccc2F)s1	759314892	RKBXSVWDMGZEKH-ZETCQYMHSA-N	323.353	1.691	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21	861515115	OZVCVDXFYVYBBG-GMTAPVOTSA-N	313.279	1.465	50	20	DDGD	
CC(C)(C)[C@@H](O)C(=O)NNC(=O)c1cc(-c2ccccc2)on1	764660639	YMYPPNKDMFLOER-ZDUSSCGKSA-N	317.345	1.510	50	20	DDGD	
COc1ccnc(NNC(=O)c2cnc(CC(C)C)s2)n1	930077884	VDVKSKMJMONZIY-UHFFFAOYSA-N	307.379	1.897	50	20	DDGD	
CCc1cccc(C(=O)NNc2ccc(C(=O)OC)cn2)c1O	760786908	UZVGOHDKPJMHGR-UHFFFAOYSA-N	315.329	1.893	50	20	DDGD	
COC(=O)c1cc(C(=O)NN[C@@H](C)C(F)(F)F)ccc1C	869377281	WBHIBOFUPZEGQF-QMMMGPOBSA-N	304.268	1.967	50	20	DDGD	
C[C@@](NC(=O)NNc1ncc(F)cn1)(C1CC1)C(F)(F)F	933579973	FECWZLVFTQBSNC-SNVBAGLBSA-N	307.251	1.973	50	20	DDGD	
O=C(NC[C@H]1COCCN1)NNc1ccccc1C(F)(F)F	861679580	AJXBXJKDFIDXDC-VIFPVBQESA-N	318.299	1.320	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2	860190071	OJJCGBYWSYMCIP-NEULZYRMSA-N	324.421	1.938	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccnc3ccnn23)C[C@@H]1Br	862258083	MONSYVLPQHHRQU-CABZTGNLSA-N	309.167	1.633	50	20	DDGD	
COCCn1cc(C(=O)NC[C@]2(C)C[C@@H]2Br)cn1	869356000	BWPGZPZFQXWUSM-JQWIXIFHSA-N	316.199	1.433	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc(CC(=O)O)cc1	863178086	AQGYGZWWTOIWLC-ZROIWOOFSA-N	302.330	1.373	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H]2CC(=O)NNc1ncc(F)cn1	760923113	PSZMMWFLIUBUBP-VIFPVBQESA-N	318.308	1.634	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC[C@@]12CCOC2=O	867129664	CQXBHPULVMTFRT-LBPRGKRZSA-N	309.815	1.363	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1CCCN1C(C)C	932430011	ULYNJWNJYNDEHZ-ZDUSSCGKSA-N	305.378	1.329	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccccc2C(C)C)n[nH]1	765586477	WZFDSEKEHKHUBM-UHFFFAOYSA-N	316.361	1.682	50	20	DDGD	
Cc1nn(CC(=O)NNc2cccnn2)cc1-c1ccccc1	768205226	DEZUAWIEJWTOLQ-UHFFFAOYSA-N	308.345	1.792	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C[C@H](C)c2ccccc2C)n[nH]1	869013791	JDKZJHINOSACIN-LBPRGKRZSA-N	314.389	1.910	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1coc(SC)c1	864590649	MAZMVHZMKBJCLH-UHFFFAOYSA-N	317.436	1.489	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H](C)CN2CCOCC2)ccc1C#N	766433122	ZDTWMPDHJHCXJV-AWEZNQCLSA-N	314.389	1.285	50	20	DDGD	
CC1(C)CC(=NNC(=O)CS(C)(=O)=O)c2sccc2O1	863186318	WFYQLNQYPDCFDD-UHFFFAOYSA-N	316.404	1.174	50	20	DDGD	
COC(=O)C(=O)NN=C1C[C@@H](C)CN(Cc2ccccc2)C1	1116634848	LSFIIPMPDKPMFX-GFCCVEGCSA-N	303.362	1.174	50	20	DDGD	
CCN(CC)C[C@@H](C)NC(=O)NNc1nncc(N)c1Cl	1116299911	LPVREYZICOQIDV-MRVPVSSYSA-N	315.809	1.069	50	20	DDGD	
CC[C@H](C)Oc1cc(CNC(=O)NN(C)C(=O)OC)ccn1	875464274	HVPDTOIPCPZRPH-JTQLQIEISA-N	310.354	1.671	50	20	DDGD	
O=C(CN(CC1CC1)CC1CC1)NNC(=O)c1cccs1	777616498	XVYWTKPGGOQRTL-UHFFFAOYSA-N	307.419	1.631	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@]1(C)CCOC1	1119033357	MPHAEGGDVBVXKA-CQSZACIVSA-N	309.391	1.439	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cccc(CN2CCCC2=O)c1	878176449	IBGODNODVWITJS-UHFFFAOYSA-N	320.349	1.544	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C[C@H]1CCCCO1	772188345	ZHZQOWSGPJSEMA-NWDGAFQWSA-N	314.382	1.071	50	20	DDGD	
CC/C(C)=C(/C)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1	779840423	VHHNWBINUCYCEN-KHPPLWFESA-N	324.402	1.598	50	20	DDGD	
CC(C)(C)OC(=O)NC1(CC(=O)NNc2ccncn2)CCC1	1117811879	SKMOTUIIDFMCAT-UHFFFAOYSA-N	321.381	1.757	50	20	DDGD	
O=C(CCCC[C@H]1CCSS1)N[C@@H]1CCOC[C@H]1O	874886107	WBNAXPBWFRPOTG-QJPTWQEYSA-N	305.465	1.967	50	20	DDGD	
O=C(NNc1ccccn1)c1cc2c(cc1[N+](=O)[O-])OCO2	777472726	RNKJELRKWQSXAS-UHFFFAOYSA-N	302.246	1.475	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNc1ccnc(Br)c1	771538019	TXJSDTKTGDIXSM-LLVKDONJSA-N	302.172	1.838	50	20	DDGD	
CCC(C)(C)N[C@H](C)C(=O)NNc1nc(-c2cccnc2)no1	772949312	ZUGPSCMRIVRBDN-SNVBAGLBSA-N	318.381	1.741	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(C)n([C@H](C)CC)n1	772240336	JTNJPRJVFMSFBJ-MWLCHTKSSA-N	324.381	1.265	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNc1nccnc1C(C)C	772823200	MRZGBLXZUCCPHT-GFCCVEGCSA-N	319.409	1.834	50	20	DDGD	
CC(C)(C)NS(=O)(=O)c1ccccc1NNC(=O)CC#N	773458348	FMYLUMNNQSEITJ-UHFFFAOYSA-N	310.379	1.120	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2ccc(Cl)cc2OC)CC1	778557883	VNWYOHQWVVYKSX-UHFFFAOYSA-N	312.753	1.536	50	20	DDGD	
O=C(CCCOc1ccccc1)NNC(=O)C1CCOCC1	883058816	CGFYOJWPBKNSEP-UHFFFAOYSA-N	306.362	1.420	50	20	DDGD	
N#Cc1ccc(NNC(=O)NC[C@H]2CCOC3(CCC3)C2)nc1	889158013	HXUQXSVIFYOWMB-LBPRGKRZSA-N	315.377	1.929	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCc2ncccn2)cc(C#N)n1C	770059346	USJFUFAAVKDKKV-MLPAPPSSSA-N	306.329	1.219	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCN(C)[C@@H](C)[C@@H]1C	771409077	WDASXGVDAIWSQP-RYUDHWBXSA-N	312.845	1.903	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)C1=NO[C@H](c2ccccc2)C1	883062226	UTGLHRQJFRJNCB-AWEZNQCLSA-N	317.345	1.078	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@@H]1CCO[C@@H](CC)C1	772260147	URLCHLJINOBGPT-TUAOUCFPSA-N	314.382	1.071	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)NC[C@@H]1C=CCC1	883832792	LNXXMNOIEDBAQD-LLVKDONJSA-N	307.325	1.501	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](C)c1ccc2c(c1)OCO2	887149315	QZJNPOSLEHRYFJ-LLVKDONJSA-N	302.330	1.470	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](C)Cc1ccc(OC)cc1	887145393	CAHZPLBIWLJMJM-ZDUSSCGKSA-N	302.374	1.825	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2CC2)c(OC(F)F)c1	788672033	QTYHHCSLVPJXCC-UHFFFAOYSA-N	300.261	1.468	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCCn2ccnn2)cc1	782828056	KYZZCYKPPNRAGX-SDNWHVSQSA-N	311.345	1.400	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])C(F)(F)C1(O)CCCC1	788301764	UDZYWMHDCJXNHF-UHFFFAOYSA-N	315.276	1.978	50	20	DDGD	
O=C(NCCOc1cccnc1)NNc1ncncc1Cl	780988550	QELOBMDQPDVRFG-UHFFFAOYSA-N	308.729	1.230	50	20	DDGD	
CC(C)CCC1CCN(C(=O)NNC(=O)c2cccnn2)CC1	883851649	WZJOUGGIOCHOTE-UHFFFAOYSA-N	319.409	1.979	50	20	DDGD	
COc1cccc(OCC(=O)NNc2ncncc2Cl)c1	781804336	HECBPKRZNCCSGZ-UHFFFAOYSA-N	308.725	1.661	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C(F)(F)c1nccs1	899996087	MUZSJKYSRDFGOT-UHFFFAOYSA-N	308.379	1.529	50	20	DDGD	
O=C(NN=Cc1ccc(C=NNC(=O)C(F)F)cc1)C(F)F	782233649	ABBMUXCLWHLHRS-UHFFFAOYSA-N	318.230	1.117	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)NC(C)(C)C)nc1Cl	899996038	MSHNRQLEIMNPHO-UHFFFAOYSA-N	316.814	1.651	50	20	DDGD	
C[C@@H]1[C@@H](Cl)[C@H]1CN1CCn2c(nnc2-c2cn(C)cn2)C1	895844004	QOWCSFPLTMDPRB-OUJBWJOFSA-N	306.801	1.368	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1cc(Cl)ccc1F	790054370	LVODCPLAZLAFED-UHFFFAOYSA-N	323.777	1.772	50	20	DDGD	
C[C@@H]1Cc2cc(C(=O)NNC(=S)NC(C)(C)C)ccc2O1	899999847	YLPFODXFDFZWCC-SECBINFHSA-N	307.419	1.917	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccc(Oc2ccccc2)cn1	799833903	GJSSDLYPDGTEQL-UHFFFAOYSA-N	314.345	1.197	50	20	DDGD	
CNC(=O)NNC(=O)Cc1cccc(Br)c1C	790490827	SIUSZKPQWDIOQM-UHFFFAOYSA-N	300.156	1.260	50	20	DDGD	
C=C[C@@H](NNC(=O)c1ccc(OCC)c(OC)c1)C(=O)OC	799975169	HMYNDWPULIEMQB-LLVKDONJSA-N	308.334	1.056	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@H]1Cc2ccc(F)cc21)C1CC1	798127363	IPTSXGUCUHDLLD-OQPBUACISA-N	307.394	1.759	50	20	DDGD	
COc1cc(NNC(=O)[C@@H](O)c2cccnc2)ccc1Cl	790170312	JPMMVPFYIWAEKJ-ZDUSSCGKSA-N	307.737	1.920	50	20	DDGD	
C[C@@H]1CC[C@@H](CNC(=O)NNc2nc(O)c3cnn(C)c3n2)C1	793458114	GGLSWUFTUWDTPX-RKDXNWHRSA-N	319.369	1.131	50	20	DDGD	
Cc1ccncc1[C@@H](C)NC(=O)NNc1nncc(N)c1Cl	1319743188	GAISEWXIXLRBMU-MRVPVSSYSA-N	321.772	1.803	50	20	DDGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1cccc[n+]1[O-]	1319562296	OHKCVXGOLZDJOM-UHFFFAOYSA-N	304.253	1.552	50	20	DDGD	
COC(=O)C(=O)NN=C1c2ccc(Cl)c(Cl)c2O[C@@H]1C	1318903546	XMVZNFBCAOUGIM-RXMQYKEDSA-N	317.128	1.768	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCNc2ccccc2)cc1	1317826062	QVUDEGMMDVEZDZ-UHFFFAOYSA-N	313.357	1.958	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(Cn2cccc2)cc1	1319941037	WYOOTRBJKCJGHI-UHFFFAOYSA-N	300.362	1.843	50	20	DDGD	
C[C@H](C[S@@](C)=O)NC(=O)NNC(=O)c1ccccc1Cl	1325285103	PGMAUKIRHAKHLG-ZPWHCFADSA-N	317.798	1.051	50	20	DDGD	
O=C(NNC(=O)c1cncn1-c1ccccc1)Nc1ccccn1	1321979154	OVMXJVNSTPXZKZ-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
CN(CC1CC1)C(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1328963282	MRJLUPOSZUQSBJ-SKDRFNHKSA-N	303.200	1.145	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CC[C@H]([C@H]3CCOC3)C2)c1	1328803576	FYFINXLXEUBTBR-RYUDHWBXSA-N	323.418	1.769	50	20	DDGD	
O=C(c1ccsc1)N1CCN(S(=O)(=O)CCl)CC1	104340667	PZICEIWMVBMDJL-UHFFFAOYSA-N	308.812	1.032	50	20	DDGD	
O=C(NNC(=O)c1cncn1-c1ccccc1)c1ncccc1O	1320582664	HNCBLNAEHJQMOK-UHFFFAOYSA-N	323.312	1.048	50	20	DDGD	
CNC[C@H](C)CNC(=O)NNc1ccc(C(=O)OC)cc1F	1325326716	YCVCYMAQNBXOMU-VIFPVBQESA-N	312.345	1.094	50	20	DDGD	
CCC(CC)[C@H](C(=O)NNc1ccn(C)n1)N1CCOCC1	1320950011	WJGUDYWVTJTMMZ-CQSZACIVSA-N	309.414	1.000	50	20	DDGD	
Nc1cnnc(NNC(=O)CCC(=O)c2ccccn2)c1Cl	1325694943	ZKYXDDAIRFPVDY-UHFFFAOYSA-N	320.740	1.213	50	20	DDGD	
C=CC[C@@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)C(=O)OCC	1322239452	RQLQFTMVVFWBBA-NRMKIYEFSA-N	314.341	1.923	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@H]1CCC[C@@H]1OC	1335949455	CYFKYWMEVIBHPE-RYUDHWBXSA-N	322.361	1.037	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)N2CCC(F)CC2)C[C@@H]1Br	1332247776	BVQRVSTVMSUBPV-CABZTGNLSA-N	321.190	1.237	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@@H]1CCOC(C)(C)C1	1337187685	XXHIKJGSDKIYKB-CQSZACIVSA-N	304.390	1.890	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ncccc2C)c(Cl)n1	1337709301	JWSFJZQCLLFJJP-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCc1c[nH]c2cc(F)ccc12	1330170709	SOWNFDJVNLVNLJ-UHFFFAOYSA-N	308.313	1.762	50	20	DDGD	
Cc1oc(Br)cc1C(=O)NNC(=S)NC(C)C	1345605997	MZKWYPIJBANQJI-UHFFFAOYSA-N	320.212	1.868	50	20	DDGD	
O=C(c1cccc(CCl)c1)N1CC[C@@H](N2CC[C@H](O)C2)C1	1353690504	VADCRLGHIIPOMV-CABCVRRESA-N	308.809	1.707	50	20	DDGD	
C[C@@H](NNC(=O)Cn1c(=O)oc2ccccc21)C(F)(F)F	1351616575	JMCGFLLYZKAGNR-SSDOTTSWSA-N	303.240	1.166	50	20	DDGD	
COC(=O)C[C@@H]1CN(C(=O)C2CCC(Cl)CC2)CCO1	1521236582	DOZFALIPAXKHNL-HTAVTVPLSA-N	303.786	1.575	50	20	DDGD	
C[C@@](O)(C(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1ccccc1	1605432372	RDMLDOLLMNALMH-INIZCTEOSA-N	324.344	1.218	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccc(C(=O)O)cc1F	1605388084	FHDSVJRKUCTBJY-UHFFFAOYSA-N	321.268	1.022	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H](C(=O)O)C2CC2)cc1	1602922963	KOEUJNAJTJUXDZ-CYBMUJFWSA-N	318.373	1.856	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2ccc(F)c(C(=O)O)c2)CCN1	1604678025	ZDTJJRQVGZWQLP-BDAKNGLRSA-N	310.329	1.291	50	20	DDGD	
CCc1cnccc1C(C)=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549318783	DROIQCOZUHEXDR-GDBMZVCRSA-N	316.405	1.347	50	20	DDGD	
CCCC[C@@H](CN)NC(=O)NNc1ccc(C(C)(C)C)nn1	1577393815	KGFWASLJQUKMKL-NSHDSACASA-N	308.430	1.918	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@]2(C(=O)O)C[C@H]2C)c1	1574397460	UURZIOOIJUIETK-OTYXRUKQSA-N	307.375	1.423	50	20	DDGD	
CC(C)C[C@@H](N)CC(=O)NNC(=O)NCCc1cccs1	1575631786	UHGPXBXADLKISQ-LLVKDONJSA-N	312.439	1.385	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)c1cn(C2CNC2)nn1	1579703640	QRBYNGZYPVUPJH-UHFFFAOYSA-N	306.757	1.141	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(N)nc2)c(F)c1	1578872752	BHUCAEQOTMJIND-UHFFFAOYSA-N	304.281	1.346	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)C[C@@H]2CNC[C@H]2C)cc1C	1578061221	UYFKNKIOGKYEBN-CHWSQXEVSA-N	319.405	1.860	50	20	DDGD	
C=CCSCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](F)Cl	1848062393	RIHNYLDBQKMTQX-NHCYSSNCSA-N	320.817	1.642	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)OCC(=O)C1(C(=O)O)CC1	1589699117	JWRPSOBYJSJSKP-MRVPVSSYSA-N	321.167	1.773	50	20	DDGD	
O=C(NN=Cc1cccc(-c2nn[nH]n2)c1)NC1CCCCC1	1593154919	PTEGKBQAOMTBSN-UHFFFAOYSA-N	313.365	1.833	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)N[C@@H]1CCCC1(F)F	1593165984	POMVHVIJBLDXOO-SNVBAGLBSA-N	323.307	1.681	50	20	DDGD	
C[C@H](NNC(=O)[C@@]1(C(=O)O)C[C@H]1c1ccccc1)C(F)(F)F	1593318833	KYHLQQORIOYHEX-GMOODISLSA-N	316.279	1.817	50	20	DDGD	
COc1ccc(CC(=O)NNc2cccc(C(=O)O)c2)nc1	1599548405	AIBJYMFTAJOTPC-UHFFFAOYSA-N	301.302	1.474	50	20	DDGD	
O=C(NNc1ccccc1)c1cc(F)c(-c2nn[nH]n2)c(F)c1	1593166964	RZXPLKYSVIUSAA-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@H](O)C1CCCCCCC1	1595262289	XIYKKNSNQJWCOI-CYBMUJFWSA-N	321.377	1.944	50	20	DDGD	
CC(=NNC(=O)c1cnsn1)c1cc(C(=O)O)c(C)nc1C	1776105253	VFQBDCKDVKAKSE-UHFFFAOYSA-N	319.346	1.402	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1cc(F)c(C(=O)O)c(F)c1	1776116445	ZVKSCXKUFZZNPH-RUDMXATFSA-N	311.240	1.760	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCN1C(C)(C)C)c1ccc(C(=O)O)o1	1776098570	PIZZLXBHJAJQOT-JTQLQIEISA-N	307.350	1.691	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl)[C@H]1CC1(F)F	1796808382	BVGZJHCSBCMWGC-JDDHQFAOSA-N	324.730	1.814	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@@H]1F)[C@H](F)Cl	1793910293	DZTCOUHYTJDKAS-AKKLPLMASA-N	306.740	1.517	50	20	DDGD	
NC(=O)[C@@H](NNC(=O)COCc1ccccc1)c1ccccc1	160961363	PAOMISSLJZLJKG-INIZCTEOSA-N	313.357	1.051	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C1(O)CCSCC1)c1ccccc1	163960611	PNCMICDOLXEZIU-ZDUSSCGKSA-N	322.430	1.586	50	20	DDGD	
CC[C@@H](OC1CCCCC1)C(=O)NNC(=O)c1cnn(C)c1	156397786	SMOGYQFNGXLQMT-CYBMUJFWSA-N	308.382	1.309	50	20	DDGD	
CCC[C@@H](C(=O)NNc1ccc(C(N)=O)nn1)c1ccccc1	154334319	QZNFVIJNBKCUPN-GFCCVEGCSA-N	313.361	1.603	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CN(C)[C@@H]2CCSC2)c1	154435476	FFWZHMDERZWEJW-GFCCVEGCSA-N	313.398	1.715	50	20	DDGD	
O=C(/C=C/c1ccccc1)NNC(=O)[C@@H]1COc2ccccc2O1	6310431	KUNBJUJFHYHZGF-OFAQMXQXSA-N	324.336	1.687	50	20	DDGD	
CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NNc1cccc(F)c1	154734450	HQSMJTCQDVJKNK-NSHDSACASA-N	317.386	1.233	50	20	DDGD	
COc1cccc2c1CC[C@H]2NC(=O)NNC(=O)c1ccc[nH]1	154841412	KZVFQMMSWSBHMA-GFCCVEGCSA-N	314.345	1.655	50	20	DDGD	
O=C(COC(=O)[C@@H]1CC=CCC1)NNC(=O)c1cccs1	10848516	XKZKVNUZUPBDNW-SNVBAGLBSA-N	308.359	1.409	50	20	DDGD	
Cc1ccc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)s1	58584360	NCSNFUOVIQCPGS-SNVBAGLBSA-N	302.421	1.162	50	20	DDGD	
Cc1ocnc1C(=O)NNC(=O)c1cc2ccccc2cc1O	104827126	FXEAHYYDPJJRIB-UHFFFAOYSA-N	311.297	1.917	50	20	DDGD	
Cc1noc(C)c1CCNC(=O)NNC(=O)c1ccccc1	107330352	AAVQLKLAQQLFCH-UHFFFAOYSA-N	302.334	1.478	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@H]1CSCCS1	108975232	QBYZDULHNRTYEH-LLVKDONJSA-N	314.407	1.364	50	20	DDGD	
O=C(NNC(=O)[C@H]1Cc2cc(F)ccc2O1)NC1CCCCC1	172592971	PQYSLUTVTCZJQC-CQSZACIVSA-N	321.352	1.792	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1cccnc1)N1[C@H](C)CC[C@H]1C	103533379	ZIRMATIBQSJQLS-UPJWGTAASA-N	304.394	1.033	50	20	DDGD	
O=C(CCCc1ccccn1)NNc1nc(-c2ccncc2)no1	104881894	JTKSJQBDNNPVCZ-UHFFFAOYSA-N	324.344	1.993	50	20	DDGD	
CN(C)[C@H]1CCC[C@@H](NC(=O)NNc2cncc(Cl)n2)C1	176584159	VNLGJLGXTIEPTM-ZJUUUORDSA-N	312.805	1.629	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC2CCN(C(C)C)CC2)o1	177257916	JZIYNIRADZQQAG-UHFFFAOYSA-N	308.382	1.405	50	20	DDGD	
CN(C)[C@H]1CCC[C@@H](NC(=O)NNc2ccc(Cl)nn2)C1	176628460	GPPMLMCACFVSEN-ZJUUUORDSA-N	312.805	1.629	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C1[C@H]2CCC[C@@H]12	177603578	MRYIRHQFCBVGSC-HGENXDRZSA-N	306.337	1.787	50	20	DDGD	
Cc1cccnc1[C@@H](C)NC(=O)NNC(=O)Cc1ccncc1	1355520207	MHZGRNDVPDNIJP-GFCCVEGCSA-N	313.361	1.419	50	20	DDGD	
C[C@H]1CCC[C@@H](C(=O)NNC(=O)Cc2cn3ccccc3n2)C1	173880203	MDARULOCTZFXPH-QWHCGFSZSA-N	314.389	1.851	50	20	DDGD	
O=C(NNc1cccnn1)[C@H]1CCCN1C(=O)c1ccccc1	172367796	OTWFQTQMSPZPFS-CYBMUJFWSA-N	311.345	1.225	50	20	DDGD	
Cc1cccc(OCCNS(=O)(=O)CBr)c1	127399224	AZFMYGHRVYXWBA-UHFFFAOYSA-N	308.197	1.646	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H](C(=O)NNc1ncc(F)cn1)C2	122710132	QZQPPNFIBBXPKT-JTQLQIEISA-N	318.308	1.319	50	20	DDGD	
COc1cn(-c2ccccc2)nc1C(=O)NNC(=O)C(C)(C)C	77219534	OECGWWCBXWNDRF-UHFFFAOYSA-N	316.361	1.688	50	20	DDGD	
Cc1cc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c(C)o1	73523437	IYHSNCBDGAFVAK-NSHDSACASA-N	300.380	1.002	50	20	DDGD	
C[C@H](CN(C)Cc1ccccc1)NC(=O)NNc1ncccn1	181049883	CVRXUUMFSSIKIT-CYBMUJFWSA-N	314.393	1.623	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2CCCc3sccc32)cn1	124554641	BJEBXHGXRIGIGV-LLVKDONJSA-N	304.375	1.363	50	20	DDGD	
CC[C@@H]1C[C@@H](C(=O)NNC(=O)Cc2ccc(F)cc2)CCO1	183432963	UWJGPINGWWGBMF-GXTWGEPZSA-N	308.353	1.721	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H](c1ccccc1)C1CC1	127492883	KNAUIAJQJSQAPJ-AWEZNQCLSA-N	305.378	1.547	50	20	DDGD	
O=C(COCC(F)(F)F)NNc1ccc(C(F)(F)F)nn1	123902978	AERUEGNLEPAEEL-UHFFFAOYSA-N	318.177	1.517	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Cn1cc(C(F)(F)F)ccc1=O	73766366	UJRLLVUKVQUKMB-UHFFFAOYSA-N	319.283	1.061	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C=C(C)C)cc(OC)c1OC	36350847	BPWKGSZLLQBJEX-UHFFFAOYSA-N	308.334	1.440	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccc(CCC(F)(F)F)cc1	186465079	HYRWUDDXJHRHLY-UHFFFAOYSA-N	305.256	1.327	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)C(=O)Nc2ccc(=O)n(C)c2)c1	131813245	AOYUIBZBAJXURX-UHFFFAOYSA-N	314.345	1.084	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CC2CCC3(CC2)OCCO3)n1	191696632	HPVLSLSDFVETJW-UHFFFAOYSA-N	320.393	1.860	50	20	DDGD	
CCNC(=O)NNS(=O)(=O)c1ccccc1C(F)(F)F	49152598	DMEZRMIXLWXHKM-UHFFFAOYSA-N	311.285	1.218	50	20	DDGD	
CNC(=O)NNC(=O)C(C)(C)c1ccc(Br)cc1	48950747	CYFPXRYJWGRNIR-UHFFFAOYSA-N	314.183	1.687	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCc1nc2ccccc2s1	190069001	CJSDNAFLTLGPBH-UHFFFAOYSA-N	307.375	1.147	50	20	DDGD	
CCN1C[C@@H](C(=O)NNc2ncc(Cl)cc2Cl)CC1=O	132943014	IRQLZCCBNFLNSD-ZETCQYMHSA-N	317.176	1.700	50	20	DDGD	
COc1cccc(C(=O)NCC(=O)NNc2cccc(C)c2)c1	192652342	HCQPARPGPBLXDV-UHFFFAOYSA-N	313.357	1.877	50	20	DDGD	
O=C(NNC(=O)c1cccc2ncccc12)c1cnc(S)[nH]1	193081422	VFJQXYKBCLQBDY-UHFFFAOYSA-N	313.342	1.321	50	20	DDGD	
CN(C)N(C(=O)c1cccc2c1CCC2)[C@H]1CCS(=O)(=O)C1	194323333	GWFOFRCPUYARTA-ZDUSSCGKSA-N	322.430	1.281	50	20	DDGD	
O=C(CCc1ccccc1O)NNS(=O)(=O)CCC1CC1	92276191	JSGICKQFELIMHP-UHFFFAOYSA-N	312.391	1.076	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1c(-c2cccnc2)noc1C	367016524	QSIQZMOGNWDFDH-UHFFFAOYSA-N	317.374	1.340	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ccn(CC(F)(F)F)n1	272788250	GCOZTCMAWLQLAS-UHFFFAOYSA-N	305.260	1.398	50	20	DDGD	
COc1ccnc(NNC(=O)NCC[C@H]2CCO[C@@H](C)C2)n1	273344695	BBMKBPRGVUKTBA-QWRGUYRKSA-N	309.370	1.317	50	20	DDGD	
COCCOC1CCC(C(=O)NNC(=O)c2ccncc2)CC1	279729275	VVPCEJXETPZAMO-UHFFFAOYSA-N	321.377	1.064	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)Nc1ccccc1	272914231	DMMIHVHNHMRFAV-JTQLQIEISA-N	322.365	1.753	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)NCC=C(C)C	276614971	MQOXDTCUUHKZKB-UHFFFAOYSA-N	321.377	1.761	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NO[C@H]1CCCCO1	275078640	DLCBGSLGKLYYDY-ZDUSSCGKSA-N	311.313	1.157	50	20	DDGD	
CCc1ccccc1NC(=O)NNC(=O)[C@@H](C)OCCOC	272331946	KMXYLRUJYMBQRT-LLVKDONJSA-N	309.366	1.453	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C(C)(C)C)nnn1CC1CCCC1	279032862	QHPYGZKOISFEHD-UHFFFAOYSA-N	307.398	1.584	50	20	DDGD	
CO[C@@]1(C)CCCN(C(=O)NNC(=O)c2ccccc2C)C1	279643712	LZSXPFDRPLFOGM-INIZCTEOSA-N	305.378	1.850	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(Cl)c(F)c1)c1ncn(C)n1	275488911	KHGCKMRXRVSLCL-ZETCQYMHSA-N	312.736	1.995	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CSc1nccc2ccccc12	277897660	GHMSNDJRRMKRTG-UHFFFAOYSA-N	319.386	1.245	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCN(C2CCC2)CC1	279002727	KRDSQESRICIABU-NTCAYCPXSA-N	311.385	1.996	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H](C)c2nnc(C)s2)nc1	275964316	MRTVSFRUSFMDQA-SSDOTTSWSA-N	308.367	1.637	50	20	DDGD	
CN(C)C1(CNC(=O)NNC(=O)c2cccc(Cl)c2)CCC1	275542784	ZBDBKMAGNNIFRG-UHFFFAOYSA-N	324.812	1.768	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)C(C)(C)C	271404098	OEMZQZGTARGPLV-UHFFFAOYSA-N	310.310	1.802	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(OC)c(C)cc1C	280910648	CNXOVMAXWDYNLK-VIFPVBQESA-N	321.377	1.444	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCCC2(C)C)cc1	282655059	HPUOIEVHNFRFBG-ZDUSSCGKSA-N	317.389	1.907	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H]2CC[C@@H]2C(=O)OC)cc1	285010176	HJSPMMIRYPURDQ-STQMWFEESA-N	304.346	1.209	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2C)C1	288802381	TYDJLGRLNWREDJ-LBPRGKRZSA-N	320.349	1.605	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C(=O)N1CCC[C@@H](C)C1	288509032	BUKCTUXXRKZHAK-SNVBAGLBSA-N	320.349	1.605	50	20	DDGD	
CCCC[C@@H](NC(N)=O)C(=O)NNC(=O)Nc1ccccc1	283767617	OKPPGONEIBIAEX-LLVKDONJSA-N	307.354	1.066	50	20	DDGD	
CO[C@@H](C)C(=O)NNC(=O)Nc1ccc(Br)cc1	283676821	GXCMYLZTUGIQFO-ZETCQYMHSA-N	316.155	1.637	50	20	DDGD	
COC(=O)N(C)NC(=O)CCCOCc1ccc(OC)cc1	286293249	JKBYCXIRLICLHB-UHFFFAOYSA-N	310.350	1.721	50	20	DDGD	
COc1cccc(NNC(=O)Nc2nc([C@H](C)OC)ns2)n1	809927953	HDBKJBBIAKEKHR-ZETCQYMHSA-N	324.366	1.798	50	20	DDGD	
Cc1cccc(OCCCC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	294175315	JESVWMCCVUCZLW-ZFWWWQNUSA-N	320.389	1.869	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc2c(=O)[nH]ccc2c1)c1cnn(C)c1	803429515	BJKQWIYCGZYNAY-SNVBAGLBSA-N	311.345	1.508	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCC[C@H]21)Nc1ccc2c(c1)OCO2	802106582	LFAFDCCLOJWFAJ-IWIIMEHWSA-N	303.318	1.614	50	20	DDGD	
CCc1c(C(=O)NNC(=O)C2CC2)cnn1Cc1ccccc1	298376993	BAYDSEORIPSAMQ-UHFFFAOYSA-N	312.373	1.665	50	20	DDGD	
NC(=O)CCCC(=O)NNC(=O)c1cc2c(s1)CCCCC2	299382386	WOYQCEQSXCRDQX-UHFFFAOYSA-N	323.418	1.434	50	20	DDGD	
COCc1cnc(NC(=O)NNC(=O)c2ccccc2F)s1	806610707	VPQQOTNDDBXEPH-UHFFFAOYSA-N	324.337	1.895	50	20	DDGD	
CS(=O)(=O)c1ccccc1NC(=O)NNc1ncccc1F	806180359	NGOXUSSGKWYQJS-UHFFFAOYSA-N	324.337	1.773	50	20	DDGD	
COCCOCCC(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	295872949	FXEHKXWWAREALN-UHFFFAOYSA-N	317.729	1.744	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Nc2ccnc(OC)n2)c1	801724936	YLWDZTYVORDOGF-UHFFFAOYSA-N	317.305	1.420	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1c(C(C)=O)oc2cc(C)ccc12	805171679	PJXRSFSYJJUFBN-UHFFFAOYSA-N	317.345	1.837	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](C)c1ccsc1	807369955	QRXZQWYMDIEHMZ-JTQLQIEISA-N	314.407	1.788	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2cc(Cl)cs2)CC1	807378473	FCRAEPHFDCWQRL-UHFFFAOYSA-N	302.787	1.003	50	20	DDGD	
O=C(CCc1cnccn1)NNC(=O)Nc1cc(F)cc(F)c1	802001699	QRBTYMNCVLPFHH-UHFFFAOYSA-N	321.287	1.540	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)Cc2cccnc2)CCC1(F)F	290778904	MXEJDMNGSZGQKF-JTQLQIEISA-N	312.320	1.342	50	20	DDGD	
CO[C@H]1CCN(C(=O)NNC(=O)c2cccc(C)n2)CC1(C)C	297026541	UGLOMIIHCMJXNQ-ZDUSSCGKSA-N	320.393	1.491	50	20	DDGD	
COCCc1ccnc(NC(=O)NNC(=O)CC(F)(F)F)c1	806660134	RFLIEVDNINLEKH-UHFFFAOYSA-N	320.271	1.376	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1coc(C2CC2)n1	804952327	JYJNCNWCAIUKPD-UHFFFAOYSA-N	311.305	1.285	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ncc(CC(=O)OCC)s1	296815800	CXMANZBAYFKMPL-CMDGGOBGSA-N	309.347	1.631	50	20	DDGD	
CC(C)N1CC[C@@H](NC(=O)NNc2cccc(Cl)n2)C1=O	292794849	VBKOVDLREDCSGY-SECBINFHSA-N	311.773	1.370	50	20	DDGD	
Cc1ccc(NNC(=O)c2ccc(C(N)=O)c(Cl)n2)cc1	806398654	PBDBQJKBEMDIDE-UHFFFAOYSA-N	304.737	1.899	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCSC1)c1ccc2c(c1)OCO2	809949929	HMZSRVIDTNXUDL-SNVBAGLBSA-N	308.359	1.320	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@H]2CCC[C@H](OC)C2)c1O	814406687	HDKLNJACYQJFJK-QWRGUYRKSA-N	322.361	1.367	50	20	DDGD	
O=C(NCC[C@]1(O)C[C@H]2CC[C@H]1C2)NNc1cccc(F)n1	814346973	PNEVMSNPUSBBSF-PGUXBMHVSA-N	308.357	1.788	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1csc(C)n1	812440574	DSKXHEVHMIJBGM-SNVBAGLBSA-N	310.423	1.260	50	20	DDGD	
CC(C)C(=O)NNC(=O)NC[C@@]1(C)OCCc2sccc21	811944947	XGYYMGFNWDONFB-CQSZACIVSA-N	311.407	1.522	50	20	DDGD	
CO[C@H]1CCC[C@H](C(=O)NNC(=O)COc2ccc(C)cc2)C1	814365610	RIRSATRLUKCBRC-ZFWWWQNUSA-N	320.389	1.726	50	20	DDGD	
CN(C1CC(OC(C)(C)C)C1)S(=O)(=O)CBr	817148765	MBSNGDRZRJPKNP-UHFFFAOYSA-N	314.245	1.947	50	20	DDGD	
Cc1nn(C)c(N)c1C=NNC(=O)Cc1ccc(Cl)cc1	814757327	WODKGMDCOPYYDX-UHFFFAOYSA-N	305.769	1.657	50	20	DDGD	
O=C(NN=Cc1cn2ccc(Br)cc2n1)C1CC1	811629711	COEIBFNGFBGLIS-UHFFFAOYSA-N	307.151	1.957	50	20	DDGD	
CC[C@@H](Cc1ccccc1C)C(=O)NNC(=O)c1ncccn1	819576746	PBJMUXPXZMSSPS-ZDUSSCGKSA-N	312.373	1.815	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)[C@H]1CCCSC1	810365558	VHYXSRRMMPAEOM-JTQLQIEISA-N	310.375	1.062	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2c[nH]c(C(=O)O)c2)c(C)c1	814758195	LFEBOBDHNQMRSN-UHFFFAOYSA-N	314.345	1.892	50	20	DDGD	
O=C(CCc1ccccc1O)NN=C1COc2cc(O)ccc21	729934596	NCIOKZKXXCZPEB-UHFFFAOYSA-N	312.325	1.943	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1nc(C(C)C)c(C)s1	824273553	NVKDRPXPCNFECO-UHFFFAOYSA-N	300.384	1.764	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CC[C@H](O)[C@@H](C)C2)cc(C#N)n1C	490909367	NDDALZBTVREWSN-JGEIXWAWSA-N	312.373	1.341	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=S)NC(C)(C)C)cc1C	726141498	MQEYRPMFJSYPBX-UHFFFAOYSA-N	322.434	1.536	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccc(-c2nn[nH]n2)cc1	826449682	FFOKDVIVNGSBNM-UHFFFAOYSA-N	320.316	1.500	50	20	DDGD	
CN1CC[C@@H]2[C@@H](CCCN2C(=O)/C(C#N)=C/c2cnn(C)c2)C1	491163964	ZAASAXDVKRBGQQ-VLYJJQRNSA-N	313.405	1.270	50	20	DDGD	
N#Cc1ccccc1N1CCCN(S(=O)(=O)CCl)CC1	829997821	ASBXBXNTMNPMSO-UHFFFAOYSA-N	313.810	1.596	50	20	DDGD	
CC(C)NC(=O)[C@H](C)NC(=O)/C(C#N)=C\c1ccc(O)cc1	491133177	OQPPWVZSTRXGAI-LFTLCWSBSA-N	301.346	1.328	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCC1CC(F)(F)C1	826946826	QWZHWSULSWDITC-PSASIEDQSA-N	305.325	1.177	50	20	DDGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)OC[C@@H]2C1	493312822	RDBZPISUAHSZNM-PCGBIVOZSA-N	314.301	1.596	50	20	DDGD	
CCc1ccc(C(=O)NNC(=S)NC2CCOCC2)cc1	727780256	IBIYQQYYGLLFDA-UHFFFAOYSA-N	307.419	1.537	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)C2CCC2)cccc1-c1nn[nH]n1	826242045	XUFHUZCYARRNDW-UHFFFAOYSA-N	315.337	1.128	50	20	DDGD	
C=CC[C@H]1N(C(=O)c2ccc(B(O)O)c(F)c2)CCCC1(C)C	584982992	SBOKSMRVJBDWGG-OAHLLOKOSA-N	319.185	1.712	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(CSc2nccn2C)o1	823966083	YVTOEBGKEZMVPC-SNVBAGLBSA-N	324.406	1.263	50	20	DDGD	
CCN(C)[C@H](C(=O)NNc1nccc(OC)n1)c1ccccc1	728602082	HASSDJXCHKRKHW-AWEZNQCLSA-N	315.377	1.621	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C1CN(C(=O)OC(C)(C)C)C1	495172528	IWCSVGHEUDGDIH-UHFFFAOYSA-N	313.398	1.437	50	20	DDGD	
Cc1ccc(Cl)c(O[C@H](C)C(=O)NN(C)C[C@H](C)O)c1	821217981	SLTPFEMAOZTIQY-WDEREUQCSA-N	300.786	1.760	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1cccc2c1CCO2	497272812	UQUZRAIAOROMKP-UHFFFAOYSA-N	321.333	1.116	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCN(C3CCCC3)CC2)cn1	490977818	UTPRWCYZFSJRNQ-XNTDXEJSSA-N	313.405	1.414	50	20	DDGD	
CS(=O)(=O)CCCCNC(=O)NNc1ccccc1Cl	824749548	YRTAHKLPUXVTJU-UHFFFAOYSA-N	319.814	1.791	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1oc(C(C)C)nc1C#N	491263947	DFTQPORWRCLVMT-UHFFFAOYSA-N	309.326	1.249	50	20	DDGD	
CN(C/C=C\C(=O)NNc1cccc(F)n1)CC(F)(F)F	493410670	ACFJSSVICNZMRZ-UTCJRWHESA-N	306.263	1.714	50	20	DDGD	
COc1ccc2c(c1)CC[C@H](C(=O)NNC(=O)NCC1CC1)C2	900386332	RJXRDHLVTIDCTE-AWEZNQCLSA-N	317.389	1.541	50	20	DDGD	
O=C(O)CCCCNC(=O)NNc1cc(F)c(F)c(F)c1	821518815	OODNEJHDGRQSIT-UHFFFAOYSA-N	305.256	1.985	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C(C)C	823833403	AYAYVPUXCHESDN-HNNXBMFYSA-N	321.421	1.095	50	20	DDGD	
CCn1cc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])cn1	732527578	AYVZNCQCYSNBQQ-UHFFFAOYSA-N	317.305	1.340	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C(C)(C)C	735550976	ODJPSHYLWFBIMZ-SECBINFHSA-N	316.365	1.310	50	20	DDGD	
C[C@@H](CC(=O)O)SCC(=O)NNC(=O)c1ccc(F)cc1	736551754	HLLYKNVPXJORBI-QMMMGPOBSA-N	314.338	1.183	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](c2cccc(F)c2)C1	732201272	SXRYAZPAHLSJTD-DGCLKSJQSA-N	307.369	1.561	50	20	DDGD	
O=C(NN=C1CCN(c2ccccn2)CC1)[C@@H]1CCCCO1	834988449	JXFUARKMEDUMHP-AWEZNQCLSA-N	302.378	1.723	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)/C=C/[C@H]1CCOC1	493520135	IELOBDVAFBTQRL-KZQRZKTQSA-N	322.336	1.333	50	20	DDGD	
CC(C)(NC(=O)O)C(=O)NNC(=O)C(C)(C)c1ccccc1	736337518	STNHJOYCALMPMR-UHFFFAOYSA-N	307.350	1.158	50	20	DDGD	
Cc1c(C#N)cccc1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	831570714	JTEBVPWMOWYLES-PWSUYJOCSA-N	302.334	1.444	50	20	DDGD	
CC(=NNC(=O)C1CCC1)c1cccc(OCC(=O)N(C)C)c1	731936384	UWTKQNZUSHLGRQ-UHFFFAOYSA-N	317.389	1.794	50	20	DDGD	
CCC(Cc1ccccc1)=NNC(=O)[C@H]1CCS(=O)(=O)C1	730575675	GCGZOWQDYAWXIR-ZDUSSCGKSA-N	308.403	1.546	50	20	DDGD	
COCCOc1ccc(C=NNC(=O)Cc2cc(C)[nH]n2)cc1	730462172	BTAWCSYGHJGBJD-UHFFFAOYSA-N	316.361	1.436	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCCOCC1CCCC1	838731829	YBFTXKYCKJUQPZ-UHFFFAOYSA-N	311.304	1.476	50	20	DDGD	
CN(CCC#N)c1ccc(C=NNC(=O)c2cnn(C)c2)cc1	735415615	XTJITOVNPBLWEL-UHFFFAOYSA-N	310.361	1.534	50	20	DDGD	
Cc1nn(C(C)C)c(C)c1S(=O)(=O)NNC(=O)C1CCC1	734415630	BRSFWDKHAUKWTI-UHFFFAOYSA-N	314.411	1.190	50	20	DDGD	
CC(C)c1ccc(NNC(=O)[C@H](C)N2C(=O)CCC2=O)cc1	837055685	LGKBCYMPKCRTFM-NSHDSACASA-N	303.362	1.791	50	20	DDGD	
Cc1cc(C(=O)Nc2cccc(B(O)O)c2)nn1[C@H](C)C1CC1	584914317	UXVCOIWGICEMMK-LLVKDONJSA-N	313.166	1.095	50	20	DDGD	
COc1cc(C(=O)NN=C2C[C@H](C)O[C@H]2C)cc(OC)c1OC	834921097	REGKIBHUZOBNLT-UWVGGRQHSA-N	322.361	1.996	50	20	DDGD	
OB(O)c1ccc(CN[C@@H](c2cccs2)C2CC2)c(F)c1	585014850	GGFATVQMGHAQES-OAHLLOKOSA-N	305.183	1.808	50	20	DDGD	
CO[C@@H](c1ccc(F)cc1)[C@@H](C)NCc1ccc(B(O)O)cc1	585035820	YJXSEQDJDXPABF-SJKOYZFVSA-N	317.169	1.371	50	20	DDGD	
O=C(C[C@@H]1CCc2ccccc21)NNC(=O)[C@H]1CCCCO1	833250877	NKZKYTRJTQXTRA-DZGCQCFKSA-N	302.374	1.823	50	20	DDGD	
COc1ccccc1SCC(=O)NN=C1CCNC(=O)CC1	834966369	GYLDDUHESVQWPI-UHFFFAOYSA-N	321.402	1.560	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)C[C@H](C)c1cnn(C)c1	839472830	IUEJCMDUTKFMES-LBPRGKRZSA-N	300.362	1.683	50	20	DDGD	
Cc1ccc([C@H](CNC(=O)NNC(=O)C2CCC2)N(C)C)cc1	732245731	FQBJVTXOQXTMIL-HNNXBMFYSA-N	318.421	1.728	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1cnn(-c2ccccc2)c1C	833385286	VBTUVIROHFITNV-UHFFFAOYSA-N	315.333	1.289	50	20	DDGD	
O=C(NN=Cc1ccccc1N1CCOCC1)[C@@H]1CCCCO1	834988779	MROIPWQGFIZMCE-INIZCTEOSA-N	317.389	1.542	50	20	DDGD	
O=C(CSCc1nc2ccccc2[nH]1)NNC(=O)C1CC1	913415783	JIIDHZIBIFUKTH-UHFFFAOYSA-N	304.375	1.354	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cccc3c2ccn3C)n1	740104440	KZQPJJXCXFTHIJ-UHFFFAOYSA-N	310.361	1.791	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc(F)c(F)c1F	831057299	FSVSDDDSQBUKFX-RQJHMYQMSA-N	317.267	1.682	50	20	DDGD	
Cc1nccc(NC(=O)C(=O)NNc2ccc(C(C)C)cc2)n1	839569151	WFXQFECYVTWNMD-UHFFFAOYSA-N	313.361	1.990	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NNc1cccc(Br)n1	837210707	XKWRQHSAFPXPMU-NKWVEPMBSA-N	314.139	1.096	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)C[C@H]1C	832895226	YBWMANXPJWSRLY-MQYQWHSLSA-N	316.467	1.551	50	20	DDGD	
CS(=O)(=O)c1ccc(NC(=O)NN=Cc2ccco2)cc1	741768130	MRLSIXIPDMBKQW-UHFFFAOYSA-N	307.331	1.839	50	20	DDGD	
CC1(CCC(=O)OCC(=O)NNC(=O)c2ccccc2)CC1	910036354	YEUGSQKFANWJBX-UHFFFAOYSA-N	304.346	1.571	50	20	DDGD	
C[C@H](CNC(=O)NNc1ccc(Cl)nc1)Cn1cccn1	745728210	YYYSRNIXRGXGNP-SNVBAGLBSA-N	308.773	1.894	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@@H]1CCOC2(CCC2)C1	912107646	OUFJINSUHMGHQS-GFCCVEGCSA-N	311.451	1.631	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2ccccc2c1O	843643603	CSLOBFJSFDZFBE-CMPLNLGQSA-N	314.341	1.731	50	20	DDGD	
Cc1ccccc1OCCCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843643413	MJBKCUDPINLHST-ZIAGYGMSSA-N	320.389	1.726	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)[C@H](C)OCCOC	748613081	CYVMYRGQXNUQAU-XQQFMLRXSA-N	315.414	1.337	50	20	DDGD	
CSCCCCC(=O)OCC(=O)NNC(=O)c1ccccc1	740330034	ZAISREWWDLWOHO-UHFFFAOYSA-N	324.402	1.524	50	20	DDGD	
CC(=O)Nc1cccc(NC(=S)NNC(=O)CC2CC2)c1	914880794	XPMJXROXVOFTEV-UHFFFAOYSA-N	306.391	1.763	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1	843644247	KIRSOEFNMZOVSP-VLEAKVRGSA-N	322.327	1.928	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NNC(=O)COc1cc(C)cc(C)c1	916093947	AJNLZMJXPFUHOZ-KGLIPLIRSA-N	306.362	1.255	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccc[n+]([O-])c2)cc1C(F)(F)F	746895833	KFWTXIMFAKGZRH-UHFFFAOYSA-N	322.246	1.967	50	20	DDGD	
CN1CCC[C@H](CN(C)S(=O)(=O)CC(C)(C)CCl)C1	866793563	IXIOUKJIFPZDAA-LBPRGKRZSA-N	310.891	1.855	50	20	DDGD	
Cc1cccc(CC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1Cl	843660988	YRSOLFYTDUJGOD-ZYHUDNBSSA-N	310.781	1.763	50	20	DDGD	
CSc1ccsc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843650431	CGBXXOCXWKNNNH-SFYZADRCSA-N	300.405	1.656	50	20	DDGD	
CSC[C@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	744996462	JVNZKNHDHQQHGT-NSHDSACASA-N	324.402	1.298	50	20	DDGD	
NC1(CNC(=O)NNC(=O)c2ccc(Cl)cc2F)CCC1	841967180	OQUATLBCJHRFGD-UHFFFAOYSA-N	314.748	1.305	50	20	DDGD	
CC(=O)NNC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl	918688720	PDPRJUHTEHMJTC-ZCFIWIBFSA-N	318.160	1.279	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)c2ccc(Cl)nc2)c(O)n1	746129780	ZLURMSHNALAYMU-UHFFFAOYSA-N	320.736	1.527	50	20	DDGD	
CCc1cccc(C=NNC(=O)[C@@H](C)CN2CCOCC2)c1O	848401933	NYRDENUXHHQMCP-ZDUSSCGKSA-N	319.405	1.373	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=C(COC)C1CC1	841644867	WZIRMFVPHCTULV-GFCCVEGCSA-N	323.393	1.432	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CN2[C@@H](C)CC[C@H]2C)cc1	746096522	JJFKTIWRDNORCI-OKILXGFUSA-N	319.405	1.394	50	20	DDGD	
O=C(NNC(=O)c1cccc2ccccc12)NNc1cccnn1	743633284	KGCBCKUKXYLOMP-UHFFFAOYSA-N	322.328	1.601	50	20	DDGD	
COc1cc(C)ccc1C(C)=NNC(=O)C(=O)N1CCCC1	748136804	RHQOZUJQPRQCJU-UHFFFAOYSA-N	303.362	1.466	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H](C)CN2C[C@@H](C)O[C@H](C)C2)no1	841614700	PDPPNSLVKPMFJO-RAIGVLPGSA-N	308.382	1.178	50	20	DDGD	
CCCNC(=O)NNC(=O)c1c(C)nc(C2CC2)nc1SC	746171290	QEYYQRPXPKHJEQ-UHFFFAOYSA-N	323.422	1.738	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)ccn1	843653947	PDXLOEVHWCDKKG-JQWIXIFHSA-N	307.350	1.055	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc(Cl)c(F)c1	844650984	RKQADHYMIPIYIE-SSDOTTSWSA-N	308.762	1.835	50	20	DDGD	
N#Cc1sccc1N1CCN(S(=O)(=O)CCl)CC1	849424283	RBVALEGHZAWXSL-UHFFFAOYSA-N	305.812	1.268	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2c(c1)C(C)(C)CO2	843653072	DDXLOGRVYVVOOD-ZYHUDNBSSA-N	318.373	1.543	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)N[C@H]1C[C@H]2CCCCN2C1=O	922817387	NHMXRQAMDMMJRE-MFKMUULPSA-N	324.331	1.744	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C(C)C)N1C[C@H](C)O[C@H](C)C1	921202959	MREFISMOAZGSOO-VNHYZAJKSA-N	313.442	1.314	50	20	DDGD	
Cc1noc(CCCNC(=O)NNc2ncc(Cl)cn2)n1	856855880	LCFQXJDYTOLXQU-UHFFFAOYSA-N	311.733	1.080	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc2nc(O)n(C(C)C)c2c1	854928502	BDJHGZVZEWMYJB-UHFFFAOYSA-N	321.406	1.404	50	20	DDGD	
CO[C@H](CC(=O)NNC(=S)N[C@H](C)C1CC1)C(F)(F)F	855095089	IYHXVNFRCHDPCG-HTRCEHHLSA-N	313.345	1.248	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2C[C@H]3CCCC[C@H]3C2)c1	750063365	UWCALPRALNPPOR-IYBDPMFKSA-N	315.417	1.878	50	20	DDGD	
CCCc1ccc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)s1	857207993	OYGPTKQVVBGUHY-SECBINFHSA-N	317.436	1.088	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2cccc(=O)n2C)o1	756953878	UFRNFMKQBSECFT-UHFFFAOYSA-N	301.306	1.125	50	20	DDGD	
COCCCNC(=O)[C@@H](C)N(C)NC(=O)OCc1ccccc1	859389845	PLKBYBQCRDEJCF-CYBMUJFWSA-N	323.393	1.301	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)CC(F)(F)F)CCCC1	854997727	RTOWRTLKIWVKBK-UHFFFAOYSA-N	310.272	1.210	50	20	DDGD	
Cc1cn2ccnc(C(=O)NC[C@]3(C)C[C@H]3Br)c2n1	857391122	LLMNMQVYXASRMM-RNCFNFMXSA-N	323.194	1.941	50	20	DDGD	
CC(C)c1nnnn1CC(=O)NC[C@]1(C)C[C@H]1Br	857393632	LYGVLTPRWUZRSI-KCJUWKMLSA-N	316.203	1.086	50	20	DDGD	
O=C(NN=Cc1cnc(N2CCCC2)nc1)c1cccc(F)n1	853442227	LFFFSEOAWPBALB-UHFFFAOYSA-N	314.324	1.375	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)OC[C@@H](CBr)C1CC1	859493557	GVVOBEXZFCCFPZ-PSASIEDQSA-N	306.200	1.865	50	20	DDGD	
CCC(=O)NN[C@H](C(=O)OC)c1ccccc1Br	853074874	FLUJLQYVQNDVPJ-NSHDSACASA-N	315.167	1.694	50	20	DDGD	
CCCNC(=O)NNC(=O)CC[C@@H]1Cc2ccccc2NC1=O	921040751	BRXPZAVEOPLJJH-GFCCVEGCSA-N	318.377	1.318	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1cnc2c(c1)CCCC2	757999569	TZUGQJBXMAJBOO-UHFFFAOYSA-N	312.333	1.217	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNC(=O)CC(F)(F)F)cc1	759771796	HTCGPALXGYHNSG-VIFPVBQESA-N	318.295	1.974	50	20	DDGD	
C[C@H](NC(=O)NC[C@@]1(C)C[C@@H]1Br)c1cnn(C)c1	856836594	RAERPMNLBHQMCQ-PTOFAABTSA-N	315.215	1.954	50	20	DDGD	
C[C@H](NC(=O)C1CCCC1)C(=O)NNc1ncc(Cl)cn1	857355553	FFPMWYFESOOWKB-QMMMGPOBSA-N	311.773	1.268	50	20	DDGD	
COC(=O)[C@H]1CN(S(=O)(=O)CCl)Cc2ccccc21	859398742	NGQJGEDRMCAVAY-NSHDSACASA-N	303.767	1.285	50	20	DDGD	
COCCn1cc(CNC[C@@]2(C)C[C@@H]2Br)cn1	856807225	MHYKBUDNFFXKIK-NWDGAFQWSA-N	302.216	1.793	50	20	DDGD	
O=C(NNC(=O)c1cccc(OC(F)F)c1)N[C@@H]1CCOC1	752166974	CQLSUUMTZJCBRU-SECBINFHSA-N	315.276	1.021	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(Cc2nc(N)nc(N)n2)C1	852521776	BBYKWJYGEHJOAN-SNVBAGLBSA-N	324.505	1.632	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=Cc1cnc2n1CCC2	853266682	NZWOWDOUAFFLED-UHFFFAOYSA-N	312.373	1.921	50	20	DDGD	
C[C@@]1(C(=O)NNc2nccc(N3CCOCC3)n2)CC=CCC1	857153251	VAHYUYBCCVSSLG-MRXNPFEDSA-N	317.393	1.503	50	20	DDGD	
CO[C@H](C)CNC(=O)NNC(=O)c1ccc2ccccc2n1	852537374	XSHBOXSQZFWOSY-SNVBAGLBSA-N	302.334	1.214	50	20	DDGD	
O=C(NN=Cc1cnn(CC(F)F)c1)OCC(F)(F)F	853430118	YEEJGGNAINSVLU-UHFFFAOYSA-N	300.187	1.771	50	20	DDGD	
C[C@]1(CNC(=O)N2CCOC[C@H]2C2CC2)C[C@H]1Br	856952764	GTQNIXXAKKCNNA-DMDPSCGWSA-N	317.227	1.980	50	20	DDGD	
Cc1nc([C@H]2CCCN(CCI)C2)n[nH]1	759383146	JRRULHITVFNYGW-VIFPVBQESA-N	320.178	1.728	50	20	DDGD	
C[C@H](C(=O)NNc1cc(F)c(F)cc1F)[C@@H]1CCC(=O)N1	860326597	LRCQTPHTDUIIMV-WKEGUHRASA-N	301.268	1.462	50	20	DDGD	
O=C1N[C@@H](C(=O)NNc2ccc(C(F)(F)F)cn2)CCO1	860938280	SWCAJAYOFXRSCP-SSDOTTSWSA-N	304.228	1.042	50	20	DDGD	
CCC(CC)(C(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1	862455665	IEVHVQUBOPIMIG-CYBMUJFWSA-N	317.389	1.170	50	20	DDGD	
Cc1ccc([C@@H](C)[C@H](O)C(=O)NNC(=O)NCC2CC2)cc1	764881325	PBHWADMNROQLPC-RISCZKNCSA-N	305.378	1.200	50	20	DDGD	
C[C@H]1CC(=NNC(=O)CS(C)(=O)=O)c2ccsc2S1	863189330	IVFKZZLDMISLCF-ZETCQYMHSA-N	318.445	1.497	50	20	DDGD	
COCCN(C)NC(=O)C1(N(C)C(=O)OC(C)(C)C)CCC1	861657103	MJDYUCNIGIPKHC-UHFFFAOYSA-N	315.414	1.385	50	20	DDGD	
CCC(CC)[C@@H](C)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	761516671	CODQLCGLIAHSSE-DGCLKSJQSA-N	304.456	1.551	50	20	DDGD	
CSCc1c(C(=O)NNC(=O)C(C)(C)O)oc2ccccc12	768259599	LXUHTMQPRDDBEG-UHFFFAOYSA-N	322.386	1.828	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1nccc2[nH]ccc12	863099392	LAGMXIVXTYKYDH-UHFFFAOYSA-N	308.210	1.995	50	20	DDGD	
CN(C)c1ccc2c(c1)NC(=O)C2=NNC(=O)c1ccccc1	761724090	PCEJBOHUDODWNO-UHFFFAOYSA-N	308.341	1.839	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NC1CCN(CC#N)CC1	866748642	YHQWSZLUYKKXNS-UHFFFAOYSA-N	307.847	1.159	50	20	DDGD	
COC(=O)c1sccc1S(=O)(=O)NCC(Cl)Cl	867471453	KPMVWCXLQWDLKX-UHFFFAOYSA-N	318.203	1.617	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1cc(Cl)ccc1C	869907752	DCILOMMETLNWBT-UHFFFAOYSA-N	300.742	1.072	50	20	DDGD	
C[C@H](NNC(=O)c1ccc2nc(O)n(C)c2c1)C(F)(F)F	862315015	ORXQPYDCISWEQI-LURJTMIESA-N	302.256	1.464	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cnn(CC2CC2)c1	867849806	FBKKYKLBELPHDU-UHFFFAOYSA-N	300.366	1.963	50	20	DDGD	
Cc1csc2ncc(C(=O)NN[C@@H](C)C(F)(F)F)c(=O)n12	862316606	ROQUAYXDDGDRGA-LURJTMIESA-N	320.296	1.250	50	20	DDGD	
COCC(=O)NN=Cc1ccc(OC)c(O)c1Br	761013406	SRJRMMLZAOASDE-UHFFFAOYSA-N	317.139	1.260	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2ccco2)c(O)c1C	769732124	HFWQHFOGDZYQNG-UHFFFAOYSA-N	303.318	1.746	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCc2ncnn2C)cc1	768829806	NNGAXICLJVMVFI-MDWZMJQESA-N	312.329	1.864	50	20	DDGD	
Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NNC(=O)C(C)C	763465562	JMTIDYLDBTZHHK-UHFFFAOYSA-N	320.315	1.408	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc2c(nc1O)CCCC2	1116014177	HSXXVTZBBWZMMJ-UHFFFAOYSA-N	308.407	1.183	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2ncccn2)Cc2ccccc21	873046272	OKQUJRWNVKNOAK-LLVKDONJSA-N	311.345	1.450	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCc1c(C)[nH]c2ccccc12	875216038	NYRYYKDMQNTVFF-UHFFFAOYSA-N	304.350	1.931	50	20	DDGD	
COc1ccc2nc(NNC(=O)Cn3cncn3)c(C)cc2c1	778477321	STJLVPXLCUNJDH-UHFFFAOYSA-N	312.333	1.287	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)Nc1ccc2c(c1)CCCO2	878537320	MESWJJMVEYRDFP-UHFFFAOYSA-N	319.361	1.591	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](F)Cc2ccccc2)nc1	778399670	QPSLPYFQNRTVLW-CYBMUJFWSA-N	317.320	1.892	50	20	DDGD	
COC1([C@H](C)NC(=O)NN=c2cc[nH]c(C)c2)CCOCC1	875678709	GANRKDFKOIGHHO-LBPRGKRZSA-N	308.382	1.022	50	20	DDGD	
CCOC(=O)[C@@H]1CSCCN1C[C@@H](C)CBr	770648657	UJGKPSVKGRZSDI-UWVGGRQHSA-N	310.257	1.998	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc(Br)s1	872403233	JWHKHBPEDPHQHK-UHFFFAOYSA-N	321.196	1.624	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)c1cc2c(s1)CCC2	772870707	YXQQHXASNBYFGP-UHFFFAOYSA-N	304.375	1.528	50	20	DDGD	
Cc1ccc(CC(=O)NNc2cccc(S(C)(=O)=O)c2)o1	776715878	WJRSQHABHHBRIF-UHFFFAOYSA-N	308.359	1.677	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(C)cc([N+](=O)[O-])c1	772051106	BUHBXWRXRCAHPF-VIFPVBQESA-N	323.305	1.006	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(S)n1)c1ccc(F)cn1	770596306	MLKRFMZMJAOOAV-UHFFFAOYSA-N	321.337	1.088	50	20	DDGD	
O=C(CN1CCC[C@@H]1C1CCC1)NNC(=O)c1cccs1	777576705	XZXGMDVWCFLBFJ-GFCCVEGCSA-N	307.419	1.774	50	20	DDGD	
O=C(CNC1(c2ccc(Cl)cc2)CC1)NNC(=O)C1CC1	775421064	IBLRNPDVINPQGX-UHFFFAOYSA-N	307.781	1.476	50	20	DDGD	
Cc1nccc(NC(=O)NNC(=O)Cc2ccc(F)cc2)n1	776493232	IJMQXRVXPVTWIG-UHFFFAOYSA-N	303.297	1.320	50	20	DDGD	
CN1CCc2cc(C(=O)NNc3cc(Cl)nc(N)n3)ccc21	779080457	XDBBWFUHEQTEBJ-UHFFFAOYSA-N	318.768	1.461	50	20	DDGD	
COCCOc1ccc(NC(=O)NNc2ncccn2)cc1	775480687	QGNXLPDOKGABKU-UHFFFAOYSA-N	303.322	1.650	50	20	DDGD	
C[C@]1(CNC(=O)NCc2cc(N)ccn2)C[C@H]1Br	1119419320	QCQAKLQRZGRUKO-ZYHUDNBSSA-N	313.199	1.637	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(N2CCOC2=O)cc1	878396514	JETCCYPPIPAGLD-UHFFFAOYSA-N	308.338	1.258	50	20	DDGD	
CC(=O)CCCC(=O)OCC(=O)NNC(=O)c1cccc(C)c1	772367686	HCABRKBXZFKQCX-UHFFFAOYSA-N	320.345	1.059	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccc(OC)c(Cl)c1	875391575	VMXVRHNOOAPTOJ-UHFFFAOYSA-N	301.730	1.761	50	20	DDGD	
CSC[C@@H]1CCCN1CC(=O)NNC(=O)c1cccc(C)c1	777605233	NNRPJYOLBMYTKE-AWEZNQCLSA-N	321.446	1.583	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H](CO)c1c(F)cccc1F	881922053	BVZYDVHHVSNCTJ-JTQLQIEISA-N	313.753	1.547	50	20	DDGD	
CC(C[C@H](C)CC(C)C)=NNC(=O)[C@H](C)NS(C)(=O)=O	779774659	ZFSGDZODVZCBMP-PWSUYJOCSA-N	305.444	1.489	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1	887142130	XEVQPEGXDFTJSL-AWEZNQCLSA-N	317.320	1.270	50	20	DDGD	
COC[C@@H]1COCCN1C(=O)[C@H](Br)C(C)(C)C	886866082	BJVRTDRIDJRNOK-ZJUUUORDSA-N	308.216	1.670	50	20	DDGD	
COc1cc(C)c(C(C)=NNC(=O)C(=O)NC2CC2)cc1C	783815027	AHHNQMXJMXOFDZ-UHFFFAOYSA-N	303.362	1.431	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1noc2c1CCCC2	1120938686	SLZCGLRUOYAMIE-UHFFFAOYSA-N	300.318	1.635	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C1CCC1)[C@H]1CCCN(C2CCC2)C1	781403164	WQVXNNJDVUYHFG-JSGCOSHPSA-N	322.453	1.770	50	20	DDGD	
CCOC(=O)C(F)(F)[C@H]1CCC(=NNC(=O)C(C)(C)O)C1	785459827	DGTAHKQKCPKJFK-QMMMGPOBSA-N	306.309	1.228	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@@H](Cc1ccccc1)C(C)C	886422282	KGBJBXKSALZQOD-HNNXBMFYSA-N	305.422	1.647	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CO1	784114381	WLLOGSYEXPYXRX-VXGBXAGGSA-N	314.345	1.058	50	20	DDGD	
C[C@@](O)(CC(=O)NNC(=O)Cc1ccncc1)c1ccccc1	780960538	FORUNKIYCCYLHO-QGZVFWFLSA-N	313.357	1.069	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)Cc2cncs2)cc1	782659709	VGWGKPRPXBYEDM-UHFFFAOYSA-N	321.427	1.934	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)N1CCN(C)CC1)C1CCCCC1	788168817	DTRORJAYFULBSY-ZDUSSCGKSA-N	310.442	1.581	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@@H]1C[C@@H](C)OC1=O)c1ccccc1	896343979	JKZFNBUJUFUSBV-KGYLQXTDSA-N	319.361	1.215	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1ccc2c(c1)CCC2	788175749	ZDJYUHPAKMIOTI-UHFFFAOYSA-N	320.356	1.908	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cccc2c1OCC2(C)C	788741279	HFBARXOKIDDRSJ-UHFFFAOYSA-N	321.377	1.337	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNc1cccc(S(C)(=O)=O)c1	787232658	CVQPZPRXKNSUDH-UHFFFAOYSA-N	322.390	1.116	50	20	DDGD	
CCC(=O)N1CCc2ccc(NCc3ccccc3B(O)O)cc21	897762612	FUXFOEDCKJKVME-UHFFFAOYSA-N	324.189	1.278	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)COCc1ccccc1	793537726	CLYAEDXWUKCZFZ-WFASDCNBSA-N	308.378	1.412	50	20	DDGD	
O=C(NNc1cc(Cl)cc(Cl)c1)C1(O)CCOCC1	791740107	YZUOQHHPIWAXIH-UHFFFAOYSA-N	305.161	1.978	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2ncc(Cl)n2C)cc1	799467894	ZIXCEXHIWLMYRN-UHFFFAOYSA-N	305.769	1.944	50	20	DDGD	
C=C(CBr)COC(=O)c1c(C)c(C)nn(C)c1=O	795423203	DGJZXFWZTWOYMB-UHFFFAOYSA-N	315.167	1.505	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccnc(-n2cccn2)c1	791258313	FLPVMMSKFXAFPD-UHFFFAOYSA-N	320.316	1.067	50	20	DDGD	
CN(C)CC(=O)NN=C1c2ccccc2CC12CCOCC2	794901899	KQTKPNHZLHZDTM-UHFFFAOYSA-N	301.390	1.421	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1ccc2nncn2c1	798311296	NNMRPUBNTFPQSB-UHFFFAOYSA-N	310.317	1.504	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1oc2c(c1C)C(=O)CCC2	798305049	RCJMQNUCAYOCSZ-UHFFFAOYSA-N	307.375	1.402	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccnn2-c2ccccc2)n1	792208157	QBKAYUQRRFAGAL-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
CN(CC(=O)NNC(=O)C(C)(C)C)Cc1cc2ccccc2[nH]1	1319375582	VPEQLHNZRQRRPJ-UHFFFAOYSA-N	316.405	1.793	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)c2n[nH]c3c2CCCC3)[nH]1	1319089277	OJAXGYBYXSKPSU-UHFFFAOYSA-N	301.306	1.079	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F	1322046851	IKTTVPUFONBWKZ-NXEZZACHSA-N	313.373	1.972	50	20	DDGD	
C[S@@](=O)c1ccc(C=NNC(=O)Cc2cccnc2)cc1	1322322239	DEEDAVJAVJWKNJ-OAQYLSRUSA-N	301.371	1.512	50	20	DDGD	
O=C(CCSc1ccccc1Cl)N1CC[C@H](B(O)O)C1	585071246	OVYIZBCLYUMJNP-JTQLQIEISA-N	313.615	1.898	50	20	DDGD	
Cn1ccc(CCNC(=O)NNc2ccc(C(C)(C)C)nn2)n1	1320177117	DSPMNDURJOCFKO-UHFFFAOYSA-N	317.397	1.376	50	20	DDGD	
C=C[C@](C)(CCOC)C(=O)NNC(=O)c1ccc(OC)cc1	1320547900	WHYDATBWIPJERJ-MRXNPFEDSA-N	306.362	1.685	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccsc1[N+](=O)[O-])C1CCCC1	1327460065	IMPZRPKDROJYLC-UHFFFAOYSA-N	319.364	1.156	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=Cc1cccnc1N(C)C	1324048925	DEGOBQQGAPFGLF-UHFFFAOYSA-N	322.372	1.868	50	20	DDGD	
O=C(CCO)NN=Cc1cnn(Cc2ccccc2)c1Cl	1323266685	GRADTJHPEOAXAU-UHFFFAOYSA-N	306.753	1.417	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)c1cccc2cccnc12)C1CC1	1328818306	FFKUOQDDUIAXDG-HNNXBMFYSA-N	313.357	1.811	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)NC2CCCC2)C[C@@H]1Br	1328589551	CBJQKIYHEWMCIY-CABZTGNLSA-N	303.200	1.335	50	20	DDGD	
Cc1ncc(C)c(NC(=O)NNC(=O)CCc2ccccc2)n1	1330697572	WQKFTYPBCVMYKX-UHFFFAOYSA-N	313.361	1.879	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1CCCN(c2ccc(C)cc2)C1	1336456896	FZYGFTOCDXKOQF-CYBMUJFWSA-N	320.393	1.876	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cccc2c1OC(C)(C)C2	1332863910	ZDDPGWLYCPKTLX-UHFFFAOYSA-N	307.419	1.917	50	20	DDGD	
CN1CCCC[C@H](C(=O)NNC(=O)c2ccccc2Cl)C1=O	1332321795	OFLVDMCSHOYGQK-LLVKDONJSA-N	323.780	1.360	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)COc1ccc(F)cc1	1335443603	HEGRMXWGKFGTCL-CHWSQXEVSA-N	310.325	1.167	50	20	DDGD	
C[C@H](O)c1cn(C2CN(C(=O)C3CCC(Cl)CC3)C2)nn1	1263773829	GPNDXDWDVVLUIA-WHXUTIOJSA-N	312.801	1.512	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)N[C@H]1CCCc2ccc(F)cc21	1261792172	OHTJWYZTMRQZGG-ZDUSSCGKSA-N	317.324	1.570	50	20	DDGD	
Cc1ccc(NNC(=O)NCC(=O)N2CCCC2)c(Cl)c1	1348037883	JQLPHJBIEXDRBN-UHFFFAOYSA-N	310.785	1.897	50	20	DDGD	
CON(Cc1ccc(C)o1)C(=O)/C(C#N)=C\c1cnn(C)c1	1350630488	KMMSDLCMQTVSKD-MLPAPPSSSA-N	300.318	1.819	50	20	DDGD	
Cc1nnc(NNC(=O)Nc2ccc(C(=O)O)cc2F)n1C	1600798244	FONRNWVPUGSCOV-UHFFFAOYSA-N	308.273	1.109	50	20	DDGD	
O=C(O)COc1cccc(CNS(=O)(=O)CCCCl)c1	1608763866	MDEGMCGLIKEFAD-UHFFFAOYSA-N	321.782	1.198	50	20	DDGD	
O=C(NNc1ccccc1)N[C@@H]1CCOC2(CC(C(=O)O)C2)C1	1601561054	MJJSWKAXFILUNF-RYCVTPFZSA-N	319.361	1.725	50	20	DDGD	
CC(=NNC(=O)c1ccccn1)c1ccc(-c2nn[nH]n2)cc1	1609060911	NOAINRUJIGYCJR-UHFFFAOYSA-N	307.317	1.416	50	20	DDGD	
C[C@]1(C(=O)O)CCCN1C(=O)/C(C#N)=C/c1ccc(O)cc1	1603292211	DKPVLKQHCQEKEK-ONOODXEBSA-N	300.314	1.765	50	20	DDGD	
Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)NCC(=O)O	1600763197	MTHDJFRNXGWQHC-UHFFFAOYSA-N	315.333	1.207	50	20	DDGD	
CCOC1CC(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	1609237620	PFFSWQCTFIPHRF-UHFFFAOYSA-N	314.349	1.397	50	20	DDGD	
O=C(C1CCC(Cl)CC1)N1C[C@H]2COCC[C@@]2(C(=O)O)C1	1601227027	HPUYOMQXFMZDER-NMADNCOTSA-N	315.797	1.734	50	20	DDGD	
CNc1ncc(C(=O)NNc2cccc(F)c2C(=O)O)s1	1606314567	SZOPSHGJXFIXLV-UHFFFAOYSA-N	310.310	1.779	50	20	DDGD	
C[C@H](C#N)C(=O)NNc1cc(C(=O)O)ccc1Br	1603129388	FKIZXPUSTGHTFC-ZCFIWIBFSA-N	312.123	1.750	50	20	DDGD	
COc1ccc(Cl)c(NNC(=O)[C@@H]2CN3CCN2C[C@H]3C)c1	1548673058	YTALYWWNHJYFQU-YGRLFVJLSA-N	324.812	1.180	50	20	DDGD	
CC(C)c1cnc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)s1	1549320336	LWYRZCKHBKYIFC-RYUDHWBXSA-N	322.434	1.580	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@@H]1C=NNC(=O)Cc1cc[nH]n1	1552763604	XEKIEAMCZRVBIJ-RISCZKNCSA-N	316.365	1.048	50	20	DDGD	
CCCCNC(=O)NN=C[C@@H]1CCCO[C@@H]1c1cnn(C)c1	1552447317	RKEJJBDYODEAHK-JSGCOSHPSA-N	307.398	1.973	50	20	DDGD	
Cn1cc([C@H]2OCCC[C@@H]2C=NNC(=O)c2cn[nH]c2)cn1	1552673326	VYTDURYCUHBEKN-MFKMUULPSA-N	302.338	1.027	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@@H]3CCCCN3)cc2C1	1573650146	WUKWTVWWJYQKDK-PWSUYJOCSA-N	321.446	1.776	50	20	DDGD	
O=C(NNC(=O)C1(F)CCNCC1)c1cccc2ccccc12	1580733388	TZXHXVFHGUQLJC-UHFFFAOYSA-N	315.348	1.693	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CC2(F)F)C1	1843853922	ZBGIFCXOWYVURD-UWVGGRQHSA-N	320.767	1.862	50	20	DDGD	
C[C@H](CC(=O)O)NC(=O)NNC(=O)c1cccc2cccnc12	1589000661	BYYMKBWXKADJHW-SECBINFHSA-N	316.317	1.042	50	20	DDGD	
C/C=C/C(=O)N1CC2(CCCN2C(=O)[C@@H](Cl)COC)C1	1846364262	HEHUSGYEXOWJLZ-TZNOJPMFSA-N	300.786	1.020	50	20	DDGD	
CC(C)(C(=O)O)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	1588618424	KALGNUQGQDNFLE-UHFFFAOYSA-N	319.144	1.865	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cncn2C)C1	1842491175	HTWQCDUHFWQIMI-LLVKDONJSA-N	324.812	1.255	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2ccc(F)c(F)c2)O[C@H]1C(=O)O	1599875946	KGBWJMUJVOJSJD-DIMCTHFVSA-N	300.261	1.286	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)c1cccc(C(=O)O)c1	1776094711	HYOHISPXZNZIAA-UHFFFAOYSA-N	300.318	1.499	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=Cc2ccnn2CC(F)F)c1	1776096629	KVIRMUGXQIUDDB-UHFFFAOYSA-N	322.271	1.610	50	20	DDGD	
CC(=NNC(=O)c1cc[nH]n1)c1cccc(O[C@@H](C)C(=O)O)c1	1776092131	ZCFFVRUNPVIDEW-JTQLQIEISA-N	316.317	1.416	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2)cc1	5515528	RLOHVUYKBNFDMK-LBPRGKRZSA-N	314.341	1.924	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CSc2ccc(Cl)cc2)cn1	14845366	FPSNEXUACRWUHY-UHFFFAOYSA-N	324.793	1.627	50	20	DDGD	
Cc1cc(C)cc(NC(=S)NNC(=O)Cc2cc(C)n[nH]2)c1	17514209	OXOQGSYGDBNGAA-UHFFFAOYSA-N	317.418	1.895	50	20	DDGD	
CN1CCC(NC(=O)NNC(=O)CCc2ccccc2)CC1	158453391	GNPTVNBUVXCPBA-UHFFFAOYSA-N	304.394	1.044	50	20	DDGD	
CCN(CC)C(=O)CCCC(=O)NNc1ncccc1[N+](=O)[O-]	153314308	SHERUGDVBISXGG-UHFFFAOYSA-N	323.353	1.472	50	20	DDGD	
CC(C)(C(=O)NNc1ccccc1F)n1cc([N+](=O)[O-])cn1	153344391	XMPUGLCBPSIGSV-UHFFFAOYSA-N	307.285	1.809	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2C[C@H]2c2sccc2C)[nH]n1	154056712	WBPWGIMFJQFGCM-ZJUUUORDSA-N	304.375	1.653	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCc2cscn2)cc1	159418017	NXEJKBIDPJQTGC-UHFFFAOYSA-N	318.402	1.892	50	20	DDGD	
CCOCCC1(C(=O)NNC(=O)Cc2ccncc2)CCCC1	159258099	RAMHNEKVBHMALK-UHFFFAOYSA-N	319.405	1.759	50	20	DDGD	
CCCCn1ncc(C(=O)NNc2nc(C)cc(OC)n2)c1C	159863919	HCLRSBXBZDAURE-UHFFFAOYSA-N	318.381	1.856	50	20	DDGD	
C#CCOCCC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	159103581	ZJYVXCVMZHCEGL-LLVKDONJSA-N	320.414	1.674	50	20	DDGD	
CC(C)c1ccc(S(=O)(=O)NNC(=O)c2ccccn2)cc1	7386073	SNWDPOCHBXPAKT-UHFFFAOYSA-N	319.386	1.828	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)c2cc(C)n[nH]2)cc1	54417624	IUYQZKQBCCJNJQ-UHFFFAOYSA-N	319.390	1.748	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1ccc2nccnc2c1	108974153	UBEBAAWSXQXWCN-UHFFFAOYSA-N	324.315	1.773	50	20	DDGD	
Cc1nn(-c2ccccc2)c(C)c1CC(=O)NNC(=O)C(C)C	20915347	LQNUVUPZEZHPBN-UHFFFAOYSA-N	314.389	1.835	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)Cc1ccc(F)cc1)N(C)C1CC1	105265673	BAZSBEUIJWFPTG-LLVKDONJSA-N	322.384	1.181	50	20	DDGD	
CCN(CCNC(=O)NNC(=O)c1cccc(C#N)c1)C(C)C	103615003	UDAMOFDCRCLMDN-UHFFFAOYSA-N	317.393	1.233	50	20	DDGD	
CCC(C)(C)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1	102604226	TVPWMGUEBLUROL-UHFFFAOYSA-N	312.391	1.287	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@H]2C[C@@H]2C)cc(OC)c1OC	26955493	HRVICVCNRLKNAK-WPRPVWTQSA-N	308.334	1.129	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC(NC(C)C)CC1	111219038	IDEXIXULIZLUPL-CYBMUJFWSA-N	312.458	1.031	50	20	DDGD	
O=C(NNC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1ccccc1O	28667774	XEOVEPSAVMANHF-FOSCPWQOSA-N	316.357	1.549	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1n[nH]c2c1CCC2)c1ccccc1	110963962	IHAUJLOXKXTCGS-LBPRGKRZSA-N	312.373	1.853	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)N2C3CCC2CC3)C[C@@H]1Br	1351190558	IADICJOEKSLOKV-GPCLJDEGSA-N	315.211	1.430	50	20	DDGD	
CCc1noc2ncc(C(=O)NNc3ncnc4nc[nH]c34)cc12	173944322	OEGYZKDXJNXKGC-UHFFFAOYSA-N	324.304	1.208	50	20	DDGD	
O=C(Cc1coc2cc3c(cc12)CCC3)NNC(=O)NC1CC1	64428725	FBBXCCBFPGOXLV-UHFFFAOYSA-N	313.357	1.957	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc(NC=O)cc2)cc1	174387483	ISCHFXQGMUARJA-UHFFFAOYSA-N	308.297	1.201	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)c1ccc[nH]1)c1ccc(C)o1	175687222	JOVREVFGOZUBFM-NSHDSACASA-N	306.322	1.248	50	20	DDGD	
N#Cc1ccccc1/C=C/C(=O)NNC(=O)NCC(F)(F)F	60411667	CIYDQJUODHIBCR-AATRIKPKSA-N	312.251	1.464	50	20	DDGD	
CCOC(=O)NNC(=O)Cc1cc(Cl)c2c(c1)OCCO2	37127518	YVZHQEMOHAUDLX-UHFFFAOYSA-N	314.725	1.431	50	20	DDGD	
CCN(CC)CCNC(=O)NNC(=O)c1c[nH]c2ccccc12	78306569	HTZXBRUQSBWZNO-UHFFFAOYSA-N	317.393	1.454	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNC(=O)c1ccc(Cl)cc1F	127364688	DREBBLJOWHSDPT-ZDUSSCGKSA-N	302.733	1.791	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2c(Cl)cc(F)cc2Cl)N1	126230202	BPNZJBQALQHBEJ-QMMMGPOBSA-N	306.124	1.854	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)c1ccc2ccccc2n1	126817011	KOAMFXWQLXAJJK-UHFFFAOYSA-N	309.329	1.526	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1	181960711	QAVSLNFVYIZWOU-VXGBXAGGSA-N	320.393	1.468	50	20	DDGD	
C#CCNC(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1	79264567	PBNJVNCPPNCEAB-GFCCVEGCSA-N	311.341	1.571	50	20	DDGD	
C=C[C@](C)(CC)C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1	134916782	DSTKYCOGMQBYJU-XJKCOSOUSA-N	311.426	1.235	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)C(=O)NNc1cc(F)c(F)cc1F	80098272	DTMXUXLTXJMFGO-LURJTMIESA-N	310.297	1.228	50	20	DDGD	
O=C(CCOc1ccc(F)cc1)NNC(=O)c1ccncc1	193128209	HAKYAYHBQYBANS-UHFFFAOYSA-N	303.293	1.451	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Cc1ccc2c(c1)CCCC2	81027451	JTNRRZHBSLUKPB-UHFFFAOYSA-N	323.396	1.893	50	20	DDGD	
Cc1cc(C)nc(-n2nccc2NC(=O)NNc2ccccn2)n1	190369311	WFECAHKOHKFXJO-UHFFFAOYSA-N	324.348	1.823	50	20	DDGD	
Cc1oc2ncn(C)c(=O)c2c1C(=O)NNc1ccc(F)cc1	195523387	MBRXDNZMAOHJRB-UHFFFAOYSA-N	316.292	1.731	50	20	DDGD	
C[C@@H]1CC[C@@H](CCC(=O)NNc2nc3ccccc3c(=O)[nH]2)O1	137184441	MIRZBYXKISVCQC-MNOVXSKESA-N	316.361	1.714	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(-n2cc[nH]c2=S)cc1	139165795	NRAIVKOEZMTGCJ-UHFFFAOYSA-N	305.363	1.499	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNC(=O)CCc1ccccc1	87219560	HJVQGIHHRXGYAT-UHFFFAOYSA-N	319.405	1.415	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(C)cc(F)c1	80435130	VNOMIXBZOORBNF-UHFFFAOYSA-N	309.341	1.200	50	20	DDGD	
CCCc1noc(CCCC(=O)NNC(=O)c2ccncc2)n1	193778235	MCRWIAAUIFIKJQ-UHFFFAOYSA-N	317.349	1.201	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	194723544	PWZLQRYEVNZXRW-SSDOTTSWSA-N	319.314	1.090	50	20	DDGD	
O=S(=O)(CCCCCl)N1CC[C@H](N2CCCCC2)C1	88952345	PLLOJXNBXFBQBR-ZDUSSCGKSA-N	308.875	1.895	50	20	DDGD	
COC(=O)NNC(=O)c1cccc(I)c1	192590965	FNXBXRDKMHVJEB-UHFFFAOYSA-N	320.086	1.292	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1C[C@@H](C(=O)OC)c2ccccc21	191472525	VHSJXDHOKGLHOQ-OCHBPSSRSA-N	300.314	1.734	50	20	DDGD	
COCCCn1ccc(NC(=O)NNC(=O)c2ccccc2)n1	92018712	WTPZYELZZKSBEL-UHFFFAOYSA-N	317.349	1.386	50	20	DDGD	
O=C(/C=C\c1ccc(Cl)nc1)NNC(=O)Cc1cccnc1	255065830	BLRMVHOEMZVDHI-XQRVVYSFSA-N	316.748	1.533	50	20	DDGD	
CCCN(CCC)C(=O)CCC(=O)NNC(=O)c1ccc[nH]1	264181817	AWVKABIUCIOIDX-UHFFFAOYSA-N	308.382	1.205	50	20	DDGD	
CCS[C@@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)C(C)C	269320491	RSNOGXLBGVURTD-SECBINFHSA-N	324.410	1.290	50	20	DDGD	
C[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)Cc1cn2ccccc2n1	266925314	DFRCQPDUCWELDV-YPMHNXCESA-N	315.377	1.396	50	20	DDGD	
CC[C@@H](Oc1cccc(C)c1)C(=O)NNc1nccn(C)c1=O	267296225	DONQIFYNNLNWME-CYBMUJFWSA-N	316.361	1.389	50	20	DDGD	
Cc1c(NNC(=O)[C@H](C)OC[C@@H]2CCCO2)cccc1[N+](=O)[O-]	269606251	MHJFARSZGNUCIY-RYUDHWBXSA-N	323.349	1.930	50	20	DDGD	
COC[C@H](NC(=O)NNc1ncnc2ccsc12)C1CC1	269747238	RHTFHAOBVPGDIK-JTQLQIEISA-N	307.379	1.742	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@@H]1COc2ccccc21	363530728	QHUSWROTFFKYNM-CQSZACIVSA-N	314.316	1.692	50	20	DDGD	
COc1ccc(C)cc1NC(=O)C(=O)NNC(=O)CC(C)C	274033301	DODUZTOIOIJELU-UHFFFAOYSA-N	307.350	1.136	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCCC(=O)N(C)C)c1	273036368	UNZDHOJPVBFODS-UHFFFAOYSA-N	307.350	1.175	50	20	DDGD	
CC(C)(C)c1nnc2ccc(C(=O)NNC(=O)C3CCC3)cn12	274424441	MAXJOHABOSBYNA-UHFFFAOYSA-N	315.377	1.588	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)[C@H]1CCCCS1(=O)=O	275015055	FXEYWIUMEHIRLX-SNVBAGLBSA-N	322.308	1.514	50	20	DDGD	
CC[C@H]1C[C@H](CC(=O)NNC(=O)c2ccccc2O)CCO1	273268194	WOXQKZTUPUQPOI-NEPJUHHUSA-N	306.362	1.749	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1cccc(SCC)c1	276147446	JOONRWQIAXQBLH-UHFFFAOYSA-N	324.406	1.430	50	20	DDGD	
NC(=O)[C@@H](Cc1ccc(F)cc1)NNC(=O)CC1CCCC1	273056834	YATVHEBTZGSEHI-CQSZACIVSA-N	307.369	1.423	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@]2(C)CCCOC2)cc1	272640571	NQNYYKQBGLEPGQ-QGZVFWFLSA-N	320.389	1.592	50	20	DDGD	
C=CC[C@@H](CC)NC(=O)NNC(=O)CNC(=O)c1cccs1	281299667	JECKFDMSYSVMGO-SNVBAGLBSA-N	324.406	1.163	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1nncn1C1CC1	285656839	FAZZVRWNQPBUCH-UHFFFAOYSA-N	308.773	1.917	50	20	DDGD	
COCCCONC(=O)NNC(=O)C(C)(C)c1ccccc1	287940029	FTBAWSFZIXQSGM-UHFFFAOYSA-N	309.366	1.263	50	20	DDGD	
CC1CCN(CC(=O)NNc2nccnc2C2CCC2)CC1	287263516	RZMJPLONCUCLSL-UHFFFAOYSA-N	303.410	1.919	50	20	DDGD	
C[S@](=O)Cc1ccc(CNC(=O)NNc2ccccn2)cc1	805866217	QWXCBSBTLQMFAO-QFIPXVFZSA-N	318.402	1.786	50	20	DDGD	
Cc1cc(=O)cc(C)n1CCCC(=O)NNC(=O)CC(C)(C)C	290615507	YUUMXJSUQBIDJQ-UHFFFAOYSA-N	321.421	1.829	50	20	DDGD	
C[S@](=O)C1(CNC(=O)NNc2ncc(F)cc2F)CCC1	298209918	GGJDLQSSVHWYHW-NRFANRHFSA-N	318.349	1.287	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)COc1cc(C)ccc1C)C1CC1	290973166	PAWDSRBBXMURCY-QGZVFWFLSA-N	320.389	1.645	50	20	DDGD	
C=C[C@H](CO)NC(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C	290587570	MAIYDQPLNPXFFT-HTRKUNOGSA-N	317.389	1.321	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N=c2cc[nH]cc2)cc(C)c1F	802034515	APEXSVZVZNNMLP-UHFFFAOYSA-N	302.309	1.726	50	20	DDGD	
O=C(NNc1c(F)cccc1Cl)[C@@H]1OC[C@H]2COCC[C@H]21	291330885	QIACJYHGMVWAAG-JRKPZEMJSA-N	314.744	1.974	50	20	DDGD	
CC(C)n1cc(Br)cc1C(=O)NNc1nnc[nH]1	294064939	YDVMATOAIYTBNM-UHFFFAOYSA-N	313.159	1.707	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)COC)c2ccccc21	802712246	IWSHULGAYCPFBU-CYBMUJFWSA-N	304.346	1.594	50	20	DDGD	
C[C@@H](Sc1ccccn1)C(=O)NNC(=O)[C@@H]1CCCCO1	295591010	PECMYVIWRNKICQ-MNOVXSKESA-N	309.391	1.279	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)Cc2ccc(Cl)cc2)O1	800317587	BYLLNMCMCSEQCG-RULNRJAQSA-N	310.781	1.843	50	20	DDGD	
Cc1[nH]c(C=NNC(=O)CNc2ccccc2F)cc1C(=O)O	800804609	FBSZQROQRNYQMB-UHFFFAOYSA-N	318.308	1.723	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@H]2CCCCC23CCCC3)cn1	291382585	SQFHOVSODAFLRJ-ZDUSSCGKSA-N	319.409	1.867	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC[C@@H]2CCCCO2)cc1	299212205	JQEOVIUBCJZSEL-AWEZNQCLSA-N	321.377	1.273	50	20	DDGD	
COc1cc(C)c(NC(=O)C(=O)NNC(=O)C(C)C)c(C)c1C	806974314	DXNKCNAJBOLLNI-UHFFFAOYSA-N	321.377	1.362	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1cnc2c(c1)c(C)nn2C	299521827	QIGMLNYDWHFZHL-QPEQYQDCSA-N	313.361	1.336	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1cccnc1N1CCOCC1	816628555	ALTIFHDDFDQWTN-UHFFFAOYSA-N	318.204	1.794	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1cc([N+](=O)[O-])ccc1O	814955165	XFXWUMBUNHJMIZ-UHFFFAOYSA-N	303.278	1.106	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=C1COc2cc(F)cc(F)c21	815001242	AZMJDYVHCIYEGC-UHFFFAOYSA-N	304.256	1.700	50	20	DDGD	
CC(Cn1cccn1)=NNC(=O)c1cc(Br)c[nH]1	814780377	QBWTWFZZXPMBAK-UHFFFAOYSA-N	310.155	1.780	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=Cc1cc(CO)ccc1O	814718519	ZZAJIZJRZQMMHU-UHFFFAOYSA-N	324.340	1.605	50	20	DDGD	
COc1nccnc1NNC(=O)c1ncccc1CSC	811074214	KBSHGCHFURENKO-UHFFFAOYSA-N	305.363	1.500	50	20	DDGD	
CC[C@](O)(C(=O)NNc1cnnn1C)c1cccc(Cl)c1	816771230	CXOVABMXDQTEJA-CYBMUJFWSA-N	309.757	1.209	50	20	DDGD	
CC(C)(C)c1n[nH]cc1C(=O)NNC(=O)Cc1cccnc1	815410995	ZIJVNBRTQFHBEH-UHFFFAOYSA-N	301.350	1.106	50	20	DDGD	
Cc1cccc2c1CCC2=NNC(=O)[C@H]1CCS(=O)(=O)C1	729143246	LAVZGHYVALOREH-NSHDSACASA-N	306.387	1.196	50	20	DDGD	
O=C(CCc1cncs1)NNC(=O)COc1ccc(F)cc1	814365178	AYQIQVLFIQRQNU-UHFFFAOYSA-N	323.349	1.441	50	20	DDGD	
CNC(=O)c1ccc(C(=O)NNc2cccc(Cl)c2)cn1	728515190	FGKKJGBNBPTEIM-UHFFFAOYSA-N	304.737	1.852	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)COc1ccc(F)cc1	811633460	OHZBQBOWBPLERP-LBPRGKRZSA-N	307.325	1.365	50	20	DDGD	
CCC(=O)N1CCC[C@@H](C(=O)NN(C)C(=O)OC(C)(C)C)C1	497298315	MPGNGQWTKIOOFS-LLVKDONJSA-N	313.398	1.533	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCCCNc2ccccn2)cn1	491134541	RVOKJEQBDYBUKT-NTEUORMPSA-N	310.361	1.340	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCc2c(F)cc(F)cc2C1	828073531	RNMVKOIMGIZUQU-UHFFFAOYSA-N	311.332	1.126	50	20	DDGD	
O=C(C[C@@H]1CC[C@H]2C[C@H]12)NNC(=O)c1ccc2c(c1)OCO2	822192657	WHYODGBUAYWXIN-NHCYSSNCSA-N	302.330	1.613	50	20	DDGD	
CCn1nc(C)c(CNC(=O)NNc2cc(Cl)ccn2)n1	823757031	MKGAPUZGARGUEE-UHFFFAOYSA-N	309.761	1.481	50	20	DDGD	
CO[C@@H](C)C(C)=NNC(=O)CCCNC(=O)OC(C)(C)C	494297420	CPCKCBJDLWNNNG-NSHDSACASA-N	301.387	1.818	50	20	DDGD	
CN(CCCC=NNC(=O)c1cnccn1)C(=O)OC(C)(C)C	496402927	ZCHSNOJYJVVMAA-UHFFFAOYSA-N	321.381	1.839	50	20	DDGD	
COc1ccccc1N(CC(=O)NNC(=O)C(C)C)C(C)C	829962740	QSFPUAXMGNIDIA-UHFFFAOYSA-N	307.394	1.713	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)nc(N)n1	828367189	JHQASMZQEQPHMP-RYUDHWBXSA-N	301.325	1.753	50	20	DDGD	
O=C(CCCn1cccn1)NNc1nc(-c2cccnc2)no1	728074601	HUAUUYASFSGTBT-UHFFFAOYSA-N	313.321	1.252	50	20	DDGD	
COc1ccc(S[C@@H](C)C(=O)N2CC[C@H](B(O)O)C2)cc1	585069930	UBRPAOXSCWUFDF-QWRGUYRKSA-N	309.196	1.251	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccccc1OC	726075908	JFJXSKXMCZSIKE-UHFFFAOYSA-N	311.407	1.183	50	20	DDGD	
CCn1ccc(CNC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)n1	491132820	NXJIUOIKEHRIOT-VGOFMYFVSA-N	322.372	1.645	50	20	DDGD	
N#Cc1cccc(NNC(=O)Cc2ccc(-c3nn[nH]n3)cc2)c1	826387087	FXLCRWXNKWBGLP-UHFFFAOYSA-N	319.328	1.424	50	20	DDGD	
CC[C@@H]1c2ccccc2CCN1CC(=O)NNC(=O)C(C)C	827820566	BZAZYGFOOBFDTI-OAHLLOKOSA-N	303.406	1.799	50	20	DDGD	
CSSCCNC(=O)N1CCC[C@H](OC(=O)N(C)C)C1	496965170	XLIXHYLIHIBMEV-JTQLQIEISA-N	321.468	1.870	50	20	DDGD	
COc1ncc(/C=C/C(=O)NN(C)C(=O)OC(C)(C)C)cn1	492978902	BVAWAELPSWFBEM-VOTSOKGWSA-N	308.338	1.397	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@H]1CC[C@@H](C(N)=O)C1	491010851	NHKRGUOVUMSTAF-VCEFJNLBSA-N	301.321	1.503	50	20	DDGD	
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NN(C)[C@H](C)CO	823966065	YQNGPGLYGMUBBE-DOMZBBRYSA-N	305.378	1.305	50	20	DDGD	
CCN(CC)Cc1ccc(CNCc2ccc(B(O)O)o2)cc1	585014303	NHGWEIUSZCJGKH-UHFFFAOYSA-N	316.210	1.091	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC=C(c2ccco2)C1	827266670	DDFUBWQMABBRKO-YPMHNXCESA-N	319.361	1.535	50	20	DDGD	
CCOC(=O)N(C)CCCC(=O)NNC(=O)Nc1ccccc1	908049950	NNLCUFPMJZJMDA-UHFFFAOYSA-N	322.365	1.708	50	20	DDGD	
CCS(=O)(=O)CC(C)=NNC(=O)c1cccc(Cl)c1	733745777	AZDSBGQKQDPJNF-UHFFFAOYSA-N	302.783	1.880	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1cnnc2ccccc12)C(C)C	733808939	OKXDJDDEAZQYQC-AWEZNQCLSA-N	301.350	1.234	50	20	DDGD	
CC(=O)NC1CCC(NC(=O)[C@]2(C)C[C@H]2Br)CC1	906505696	KFIBTPCBFQJETC-FFJHZOIPSA-N	317.227	1.723	50	20	DDGD	
Cc1ccc(C[C@@H](CO)NC(=O)/C(C#N)=C/c2cnn(C)c2)cc1	491163331	WEPORUWBVJYIFX-BNSMALCHSA-N	324.384	1.355	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)cc1F	837057825	JGEIRZJBISWVFL-RAIGVLPGSA-N	308.309	1.480	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)c1cccc2ncccc12)C(C)C	491012692	DVPKTRNNUMZKDW-CQSZACIVSA-N	310.357	1.837	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1C[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1	830854900	IYVWJESSXUKJAV-XDQVBPFNSA-N	305.422	1.324	50	20	DDGD	
CNC(=O)C[C@@H](C)NC(=O)NNc1ccc(Cl)c(F)c1	838696258	ATEMTGRBVHENCD-SSDOTTSWSA-N	302.737	1.630	50	20	DDGD	
CC1(C)CCC[C@H](CNC(=O)NNC(=O)C(=O)N2CCCC2)C1	838725365	SNEAKVOIMBMBEF-LBPRGKRZSA-N	324.425	1.156	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1ccc(Cl)nc1)c1cnn(C)c1	839545551	VYJRJADXQUALAC-VIFPVBQESA-N	321.768	1.423	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCOCC2CCCC2)n1	836437988	RIDYMLHNYZSNCS-UHFFFAOYSA-N	320.393	1.541	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C/c1ccc(N2CCC(O)CC2)cc1	905073315	JVFBNFRFYKPUNR-LFIBNONCSA-N	320.414	1.947	50	20	DDGD	
CO[C@@H]1COCC[C@@H]1CNC(=O)NNc1cccc(Cl)n1	836571352	AIOMQTHDDCKHPX-NXEZZACHSA-N	314.773	1.413	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cccc(OCC#N)c1	831291226	LANAFJKXHHSMNO-MFKMUULPSA-N	318.333	1.167	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1cc(F)cc(F)c1	901966632	QLOOTCUTPOSPCZ-UHFFFAOYSA-N	302.302	1.078	50	20	DDGD	
CC[C@H](CNCc1ccc(B(O)O)o1)c1ccc(Cl)cc1	585030571	HDXKRZYTEGEWEK-LLVKDONJSA-N	307.586	1.896	50	20	DDGD	
CC1(C)[C@H](c2ccccc2)CCN1C(=O)c1ccc(B(O)O)cc1	585001699	ZAYZYOYNYOLZBE-KRWDZBQOSA-N	323.201	1.775	50	20	DDGD	
CCc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1ncon1	832826311	WLCBBJBOQBJKJF-NWDGAFQWSA-N	300.318	1.197	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCOC[C@H]1c1ccco1	735078727	QWXPBTCWIPXIMK-STQMWFEESA-N	323.393	1.235	50	20	DDGD	
Cc1nn(-c2ccccc2)c(Cl)c1CN1CC[C@@H](B(O)O)C1	585077522	WLPXLOIVHDNIOG-GFCCVEGCSA-N	319.601	1.883	50	20	DDGD	
Cc1nc(CC(=O)NNc2ccc(C(F)(F)F)cn2)n[nH]1	832396048	ZPZFWJKKTVBAQX-UHFFFAOYSA-N	300.244	1.213	50	20	DDGD	
CO[C@@](C)(C(=O)NNc1cc(O)nc2ncccc12)C1CC1	913989959	VHJALFNSQPJCMU-OAHLLOKOSA-N	302.334	1.594	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1C[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1	830856736	YTWQGWNNMSCFAW-CWVYHPPDSA-N	319.449	1.712	50	20	DDGD	
CCCn1nc(C(=O)NN=Cc2ncc[nH]2)c2ccccc2c1=O	731152049	ZBPUMELIOQRQCU-UHFFFAOYSA-N	324.344	1.294	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)COCc1ccccc1)C(F)F	836317292	IWQFPODOQCKCIT-LLVKDONJSA-N	315.320	1.577	50	20	DDGD	
N#Cc1cccc(C=NNC(=O)[C@H]2COc3ccccc3O2)c1	839386034	DZSTXVAEJZMTNU-MRXNPFEDSA-N	307.309	1.848	50	20	DDGD	
CC(C)CO[C@H](C)C(=O)NNC(=O)COc1ccccc1F	915262193	SKAHEWOHOVUEPH-LLVKDONJSA-N	312.341	1.413	50	20	DDGD	
C=CC1CCN(CC(=O)NNC(=O)c2cccc(C)c2)CC1	744400023	BUMVIQKCCVNDFC-UHFFFAOYSA-N	301.390	1.654	50	20	DDGD	
Cc1nnc(NNC(=O)CCc2cccc(F)c2F)nc1O	749931634	XENTYYXRFLLRGB-UHFFFAOYSA-N	309.276	1.240	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)COC2CCCC2)cc1	916108777	ACLRXKUAEDTKTA-UHFFFAOYSA-N	306.362	1.480	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCCOC1CCCCC1	918133756	JEZICAHGXHCVLX-UHFFFAOYSA-N	311.304	1.619	50	20	DDGD	
CCCOc1ccc(C(=O)NN(C)C[C@H](C)O)cc1OCC	910179815	DPRKWAOQPYFKRZ-LBPRGKRZSA-N	310.394	1.832	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNc1ncc(Cl)cc1Cl	845955293	LLOZNLYYCHFYJO-UHFFFAOYSA-N	319.192	1.994	50	20	DDGD	
COC(=O)[C@H](NNC(=O)[C@H]1CCO[C@@H]1C)c1ccccc1C	843289547	UEWSXKOCEDIIFQ-KWCYVHTRSA-N	306.362	1.255	50	20	DDGD	
CCNC(=O)NNS(=O)(=O)c1ccc(C(=O)C(C)C)cc1	743255778	GYYROZXKHXUNLF-UHFFFAOYSA-N	313.379	1.038	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@@H]1CCO[C@H]1c1ccncc1	845992704	DEADZPUQGKYVGC-PWSUYJOCSA-N	319.752	1.746	50	20	DDGD	
CC(C)c1cccc(C(=O)NNC(=O)CN2CCCC2=O)c1	913734661	WSGDBPCQNHXMNL-UHFFFAOYSA-N	303.362	1.193	50	20	DDGD	
COCCOCCNC(=O)NNc1ccc(F)cc1Cl	914205448	QZCMHQMWBAIZHS-UHFFFAOYSA-N	305.737	1.768	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)C1	843752498	SPIJNCHFJJRKJN-NSHDSACASA-N	312.329	1.207	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1cccc(OC(F)F)c1	747043078	XKZIHPWHCWKEKA-UHFFFAOYSA-N	311.288	1.361	50	20	DDGD	
CCn1ncnc1C=NNC(=O)C(=O)Nc1ccc(C)c(C)c1	848401632	DHYJPLBVJBIHIY-UHFFFAOYSA-N	314.349	1.004	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1ccc(OC(F)F)cc1	743833163	IGWRSOVEPHPRFC-UHFFFAOYSA-N	323.259	1.545	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1	910175151	LIVYQTJGBZBYIG-SECBINFHSA-N	308.769	1.688	50	20	DDGD	
Cc1cccc2c(CC(=O)NNC(=O)[C@H]3CCO[C@H]3C)c[nH]c12	843654171	ZQUSHLIYEOOFSQ-AAEUAGOBSA-N	315.373	1.591	50	20	DDGD	
CCOCc1cc(C=NNC(=O)C(=O)NC(C)C)ccc1OC	747611899	RFGJJRIBKZTBDD-UHFFFAOYSA-N	321.377	1.206	50	20	DDGD	
O=C(O)Nc1ccccc1C(=O)NNC(=O)Cc1ccsc1	740046277	PXUPAUNDBQZXBS-UHFFFAOYSA-N	319.342	1.842	50	20	DDGD	
CCC(=NNC(=O)COc1ccccc1C#N)[C@H]1CCOC1	741836398	AANKNTCTYPSMIJ-ZDUSSCGKSA-N	301.346	1.856	50	20	DDGD	
N[C@@H]1CCC[C@@H](NC(=O)NNC(=O)c2cc3c(s2)CCC3)C1	841981492	DBJQLIVOHMANKK-GHMZBOCLSA-N	322.434	1.451	50	20	DDGD	
Cc1nnc(-c2ccc(C(=O)NNC(=O)NCC3CC3)cc2)o1	746166847	IDCPYEUVCNRPDO-UHFFFAOYSA-N	315.333	1.399	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCCCC1)c1cncnc1C	848402266	ZMZBJCXFLUCTNP-GFCCVEGCSA-N	303.410	1.747	50	20	DDGD	
NC[C@H]1CC[C@H](CNC(=O)NNC(=O)c2ccccc2O)CC1	841993929	BQIJEIQEHBSQSF-HAQNSBGRSA-N	320.393	1.101	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccccc1OC1CC1	843659248	XDMMNZHZVPXJOK-ZYHUDNBSSA-N	304.346	1.414	50	20	DDGD	
CCOCC(=O)NNC(=S)N[C@H]1CCOc2ccccc21	741494564	ZITRPELOVMDYAB-NSHDSACASA-N	309.391	1.042	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)[C@@H]1CCc2ncncc2C1	844133746	BVYSJLJIFHKNCS-SECBINFHSA-N	303.753	1.773	50	20	DDGD	
C[C@]1(CNC(=O)N2C[C@H]3CC[C@H]2[C@H](N)C3)C[C@@H]1Br	857105547	NFZRLLPAOZLALG-VGDATSSVSA-N	316.243	1.681	50	20	DDGD	
Cc1nn(C)c(OCC(F)(F)F)c1C=NNC(=O)C1CC1	756819597	IGBFBDJPWBIFSM-UHFFFAOYSA-N	304.272	1.530	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=S)N[C@@H](C)C1CC1)c1ccccc1	855101131	QGIOQDLTUSAKBS-MEDUHNTESA-N	321.446	1.842	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)nc1O	756752052	ZDTNPZUISOAWJN-GRYCIOLGSA-N	305.382	1.935	50	20	DDGD	
C=CCNC(=O)[C@H](C)OC(=O)/C(C#N)=C/c1ccc(O)cc1	750663751	PZNWOIGUCPREGQ-GJSJWPQCSA-N	300.314	1.533	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)C(F)(F)c1nccs1	757663019	YAROXMLBXFNTDE-UHFFFAOYSA-N	311.277	1.045	50	20	DDGD	
CO[C@@H](C)CNC(=O)NNC(=O)c1cccc2cccnc12	852030292	DLVAFUCCLAUSEN-JTQLQIEISA-N	302.334	1.214	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)CCCF)cc1	854574108	LWGBROKHYCCUDR-UHFFFAOYSA-N	303.359	1.130	50	20	DDGD	
O=C(NN=Cc1ccc2c(c1)CCO2)C(=O)Nc1ccccn1	758378714	AEZRWJBGVFLLNF-UHFFFAOYSA-N	310.313	1.105	50	20	DDGD	
CCC(CC)NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	851922580	OBFUJIXDRBAGPA-UHFFFAOYSA-N	314.430	1.448	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCCc2cccs2)c(C)n1C	920861082	AWKJWPSAUAWFGB-UHFFFAOYSA-N	320.418	1.890	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H]2CCN(Cc3ccccc3)C2)nc1	924815082	NRHSYQSFUVOZEY-INIZCTEOSA-N	321.384	1.918	50	20	DDGD	
CC(C)c1cccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c1	854516945	UTUCZFOKSYAUSD-HNNXBMFYSA-N	324.446	1.916	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2cncc(F)c2)c1	759111718	CKRIRFMJNVRZTO-UHFFFAOYSA-N	317.320	1.678	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNc1ccc(Cl)cn1	856095978	XYXYGXJFLYJTDJ-UHFFFAOYSA-N	300.746	1.703	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H]2CC[C@H](C(N)=O)C2)C[C@@H]1Br	856862658	GJCXCRGYNRAWPG-KIKITERTSA-N	318.215	1.113	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ncoc2C(C)C)nc1	759721648	PPPDGLXBJWHEFK-UHFFFAOYSA-N	304.306	1.737	50	20	DDGD	
O=C(NNc1ncccc1F)NC1CCN([C@@H]2CCOC2)CC1	852637776	GLJRMKFZDOYNIP-GFCCVEGCSA-N	323.372	1.100	50	20	DDGD	
COc1cc(CCCNS(=O)(=O)CCl)cc(OC)c1O	856759895	GMJALHBYNSQOTG-UHFFFAOYSA-N	323.798	1.458	50	20	DDGD	
CCCOc1cccnc1C(=O)NNC(=O)c1cccn1C	757873791	JRNGHLJUXAEMAG-UHFFFAOYSA-N	302.334	1.284	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](NC(C)=O)C(C)C)c1C	855628566	ZVFOFSKOOACNES-AWEZNQCLSA-N	321.377	1.385	50	20	DDGD	
CNC(=O)NC(=O)CN1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	852522254	HOTSWAXNYZCRGP-LLVKDONJSA-N	315.490	1.538	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cnc2ccccn12	755738422	INMTYPDXTIFOIZ-UHFFFAOYSA-N	301.350	1.089	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccccc1Cl)[C@H](C)C#N	852642868	PMFSCJWJWBQTOF-SNVBAGLBSA-N	308.769	1.335	50	20	DDGD	
C[C@]1(CNC(=O)c2cc3n(n2)CCO3)C[C@H]1Br	857388534	UGLWBKBYQSLMMO-LDYMZIIASA-N	300.156	1.179	50	20	DDGD	
C[C@@]1(CNC(=O)NC[C@H](O)C(F)(F)F)C[C@@H]1Br	856954362	IZNMQBMTRQKAFJ-HAFWLYHUSA-N	319.121	1.382	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cc(C)[nH]n2)n(C(C)(C)C)n1	756061970	STQOJHSOKGSYCY-UHFFFAOYSA-N	319.369	1.445	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)C1(S(C)(=O)=O)CCCC1	855368081	YWCOGAGANKPVTO-UHFFFAOYSA-N	314.382	1.935	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCCOc1ccccc1Cl	854926136	SIYXOAQMPMTLIA-UHFFFAOYSA-N	315.826	1.966	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cc(C)cc(C(=O)OC)c1	933027674	BLMNGRZZBWRNDR-UHFFFAOYSA-N	317.345	1.738	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)cc1	751621113	PYYASCCWLTXALP-VIFPVBQESA-N	320.418	1.552	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc(C(=O)NC)c1C	755655546	DEYQIWZPLRTPEF-VIFPVBQESA-N	306.366	1.553	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)C[C@@H]1CCCC(F)(F)C1	867117893	JQPPKHNJBQXPHD-SECBINFHSA-N	313.370	1.308	50	20	DDGD	
O=C(C[C@H]1C[C@H]2CC[C@H]1O2)NNCC(F)(F)C(F)(F)F	863101769	HCWZFQYCAHLTMO-BWZBUEFSSA-N	302.243	1.762	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H]1CCC(F)(F)C1	763610523	QXHUQRKAHWFCLN-VIFPVBQESA-N	313.304	1.827	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(-c2ccccc2)on1	764481049	BPZHFKYMMVLEMJ-UHFFFAOYSA-N	311.301	1.897	50	20	DDGD	
CSCC(C)(C)NCC(=O)NNC(=O)c1cccc(C)c1	934668605	FIFQIWUQDOKBQL-UHFFFAOYSA-N	309.435	1.487	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H]2CCc3cncn3C2)c1	862479587	UELAGFXMXONLPS-JTQLQIEISA-N	304.375	1.277	50	20	DDGD	
COc1cc(C(=O)NN=C(C)CCCCO)cc(OC)c1OC	766682932	XCLHKUBBRAQDEK-UHFFFAOYSA-N	324.377	1.981	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@H]1C[C@]12CCOC2	763733835	HAQKXRJLNRQYMR-DOMZBBRYSA-N	308.765	1.457	50	20	DDGD	
CSC[C@H](C)NC(=O)NNc1ccccc1S(C)(=O)=O	765791151	XYFDXZBMPXVVRY-VIFPVBQESA-N	317.436	1.468	50	20	DDGD	
CC[C@H](C)[C@@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1	862456556	ZGYOVMAZRVKRTE-NJZAAPMLSA-N	317.389	1.242	50	20	DDGD	
CCOC(=O)Nc1ccc(NCc2cccc(B(O)O)c2)cc1	864019504	HWPAPAXLGXPXNU-UHFFFAOYSA-N	314.150	1.547	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)N[C@H]1CCSC1	765806582	KDWNQGBMEKTPNH-VIFPVBQESA-N	315.420	1.222	50	20	DDGD	
CC(C)(C)[C@@H](O)C(=O)NNC(=O)c1ccc(Cl)cc1F	765138312	YULJBIQVOVKAKA-JTQLQIEISA-N	302.733	1.647	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H](C)OCc2ccccc2)n[nH]1	869013052	KAKMOHVPBDVPQH-GFCCVEGCSA-N	316.361	1.013	50	20	DDGD	
CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NNc1ccc(Cl)nc1	766285228	RGLQEWLTFUNFGU-UWVGGRQHSA-N	311.773	1.276	50	20	DDGD	
CS/C=C\C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	763175506	DTCJMKDFYBPMSW-SREVYHEPSA-N	320.349	1.854	50	20	DDGD	
COc1ccc(C(=O)NNS(=O)(=O)C2=CCCCC2)cc1	1117759037	YTFGYPUJPNVWQU-UHFFFAOYSA-N	310.375	1.717	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)Nc1ccc2c(c1)CCO2	878205821	RMOWXDQPIOLLJR-UHFFFAOYSA-N	305.334	1.201	50	20	DDGD	
C[C@H]1CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C[C@H]1C	766992590	VZTQIHJVOSOEAY-QWHCGFSZSA-N	314.389	1.297	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1c(Cl)cccc1OC	875527351	CIBRYFPFNSNWGC-UHFFFAOYSA-N	301.730	1.761	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2Cc3ccccc3CN2)C[C@@H]1Br	1118810587	VNWUWQACGAELRD-VNHYZAJKSA-N	323.234	1.991	50	20	DDGD	
C[C@H]1Oc2c(cccc2C(=O)NCCCSC#N)NC1=O	773584855	IZQFIAOKQAZXND-SECBINFHSA-N	305.359	1.740	50	20	DDGD	
C[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1	1118978256	KHILIMCYYZXOPV-SECBINFHSA-N	316.191	1.200	50	20	DDGD	
N#Cc1c(F)cccc1C(=O)NNC(=S)NCC1CCC1	777785200	MWICHAJJPSGSRH-UHFFFAOYSA-N	306.366	1.606	50	20	DDGD	
C#CC[C@H](N[C@H](C)C(=O)NNC(=O)CC(C)C)c1ccccc1	775400403	ZSEKQGXGPYFBMY-ZBFHGGJFSA-N	315.417	1.923	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)COC2(C)CCC2)c1	773251318	LGSJGQDNFSDDSI-UHFFFAOYSA-N	306.362	1.480	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNc1cccc(S(C)(=O)=O)c1	776529864	DCMBXXHSJLWPBB-UHFFFAOYSA-N	322.390	1.143	50	20	DDGD	
CCCC1CCC(NC(=O)NNC(=O)C2CCNCC2)CC1	1118027002	NTATWHAYMQOUAJ-UHFFFAOYSA-N	310.442	1.675	50	20	DDGD	
COC(=O)c1[nH]c(C)cc1NS(=O)(=O)CCCCCl	776433960	NTWGNMONVLOAQD-UHFFFAOYSA-N	308.787	1.870	50	20	DDGD	
COc1cccc2cc(C(C)=NNC(=O)C[N+](C)(C)C)oc12	1115814355	RBJNGZDRGVCAOH-UHFFFAOYSA-O	304.370	1.988	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cscc1Cl	873803758	STBGYDPWUSQCJA-ZCFIWIBFSA-N	303.771	1.534	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)C2=COCC2)cc1	874950501	DMXYSWCSTJAILP-UHFFFAOYSA-N	306.391	1.374	50	20	DDGD	
CCNC(=O)NNC(=O)c1cccc(OCC(F)(F)F)c1	770159823	TVMAHRJQCRICAV-UHFFFAOYSA-N	305.256	1.592	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C(C)(C)SCC(=O)O)cc1	872831283	HEAZMJJDVIBDNA-UHFFFAOYSA-N	324.402	1.606	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2ncccc2O)c1	778288189	BSVBTQAZSNONQK-UHFFFAOYSA-N	315.329	1.244	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1ccccc1COC	778563229	MMGOTBLBHQSBDY-UHFFFAOYSA-N	315.395	1.126	50	20	DDGD	
O=C(C[C@H]1CCS(=O)(=O)C1)NNc1ccc2ccccc2n1	777464819	HFTLLLCBQRIGOS-LLVKDONJSA-N	319.386	1.503	50	20	DDGD	
CCN([C@H](C)CS(=O)(=O)CC)S(=O)(=O)CCCCl	881888524	WKENZCBITFVFTI-SNVBAGLBSA-N	319.876	1.090	50	20	DDGD	
Cc1cc(C)cc(CNC(=O)NNC(=O)C2CCOCC2)c1	883721892	DVEWJLBEVMWHED-UHFFFAOYSA-N	305.378	1.560	50	20	DDGD	
Cc1cc(C(=O)NNc2ccccc2S(N)(=O)=O)c(C)o1	788231776	KVDLWRAEWUWSPC-UHFFFAOYSA-N	309.347	1.301	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ccc(C)nc1OC	780729607	NHTGZWQVJVOWDJ-UHFFFAOYSA-N	315.329	1.942	50	20	DDGD	
O=S(=O)(CBr)NCc1ccc2c(c1)COC2	782474467	PBSYBPSWFLRSRS-UHFFFAOYSA-N	306.181	1.489	50	20	DDGD	
CC(=O)N[C@@H](CC(C)C)C(=O)NNc1oc(C(C)C)nc1C#N	783574650	KIMJRUQWBBCGRM-NSHDSACASA-N	321.381	1.664	50	20	DDGD	
O=C1CN(S(=O)(=O)CCCCCl)c2ccncc2N1	780797766	IEYDLXMVUSFKEE-UHFFFAOYSA-N	303.771	1.189	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCC(=O)Nc1nnc(C2CC2)o1	786675191	GLLWVRKSVAXWQW-YHYXMXQVSA-N	302.290	1.289	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cc2c(F)cccc2[nH]1	883061052	GVDNAYCTKYGPNE-UHFFFAOYSA-N	305.309	1.495	50	20	DDGD	
COc1ccc(NNC(=O)c2c(N)cccc2[N+](=O)[O-])nc1	781534538	MVNAYHWUTQCVLL-UHFFFAOYSA-N	303.278	1.338	50	20	DDGD	
CC(=NNC(=O)C(F)F)c1ccc(NS(C)(=O)=O)cc1	782234410	UQDIQXBVDDIDTB-UHFFFAOYSA-N	305.306	1.163	50	20	DDGD	
Cc1ccc2[nH]cc(C(=O)NNC(=O)c3cccn3C)c(=O)c2c1	788266693	PMXXDONUDNLRSD-UHFFFAOYSA-N	324.340	1.250	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)Cc2cc(O)nc(S)n2)[C@H](C)C1	783822821	XQRNGOHVRXITPM-DTWKUNHWSA-N	308.407	1.942	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2cc(C)ncn2)cc1F	783945234	HUIDVMHVDHRRNC-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC[C@H]1C[C@H](N)C1)c1ccccc1	892578837	XPXSCKYTHMLROD-UBHSHLNASA-N	304.394	1.248	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1cccc2ccsc12	784916357	OISPRGJSHLDFGK-UHFFFAOYSA-N	320.374	1.532	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc(C(F)(F)F)n1	785863683	GXFMUTOMCBWJSC-UHFFFAOYSA-N	305.260	1.798	50	20	DDGD	
O=C(CO)NN=C1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]12	781125573	ZSKZGWXDXDGTNH-CABCVRRESA-N	301.390	1.383	50	20	DDGD	
COC1(C=NNC(=O)CNC(=O)c2ccco2)CCCCC1	790165771	VHUQTPQUNGCLTK-UHFFFAOYSA-N	307.350	1.461	50	20	DDGD	
CSSCCNC(=O)N1CCN(C(=O)C2CC2)CC1	790880306	XIASFMPVBGOMEX-UHFFFAOYSA-N	303.453	1.261	50	20	DDGD	
COc1ccc(NNC(=O)CCc2ccccc2C(N)=O)cc1	792643190	RBDUHDAGEGCCRV-UHFFFAOYSA-N	313.357	1.870	50	20	DDGD	
Cc1nc2c(C(=O)NNc3ccnc(N(C)C)n3)cccc2o1	792642916	KFWAGJVFVGWVRR-UHFFFAOYSA-N	312.333	1.749	50	20	DDGD	
C=CCNC(=S)NNC(=O)C(F)(F)c1c(F)cccc1F	798304339	JPXCDHSFVZZQKB-UHFFFAOYSA-N	321.299	1.738	50	20	DDGD	
O=C(CCCOc1cccnc1)NNc1nc2ccccn2n1	791259082	MWEGDOFBXLHEPN-UHFFFAOYSA-N	312.333	1.427	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H]1CCC[C@@H](C(N)=O)C1	798310480	PAYOSRUCZGIPAF-NEPJUHHUSA-N	318.377	1.439	50	20	DDGD	
CCCCOCCCNC(=O)NNC(=O)c1ccc(OC)cc1	1318948471	ARIFILPANAIDHZ-UHFFFAOYSA-N	323.393	1.846	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc2c(nc1O)CCCCC2	1318637150	LGCUYCZITRNGJQ-UHFFFAOYSA-N	322.434	1.573	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1c(C)noc1C	1326751552	KLGJIFNHTFXAPF-JLLWLGSASA-N	324.381	1.498	50	20	DDGD	
CC(C)NC(=S)NNC(=O)Cc1cccc(Cl)c1F	1324294936	LBGFFSHEURXAKP-UHFFFAOYSA-N	303.790	1.925	50	20	DDGD	
O=C(CN1CC2CCC1CC2)NNC(=O)c1cccc(Cl)c1	1323380953	NCQKAAOSEPOVDZ-UHFFFAOYSA-N	321.808	1.975	50	20	DDGD	
C[C@@](O)(C(=O)NNc1cncc(Br)c1)C1CCC1	1326070576	IGKHHZUGCABNRT-LBPRGKRZSA-N	314.183	1.838	50	20	DDGD	
Cn1ccc(NC(=O)C(=O)NNc2nccc3sccc23)n1	1320573815	DTOIIFVDBOGLGC-UHFFFAOYSA-N	316.346	1.112	50	20	DDGD	
O=C(CCc1nc2cccnc2[nH]1)NNc1ccnc(F)c1	1320211672	PIDJHFAKSGGJNH-UHFFFAOYSA-N	300.297	1.568	50	20	DDGD	
O=C(NNc1cncc(Br)c1)c1ncccc1O	1321496152	YSMAKXSMFHMERW-UHFFFAOYSA-N	309.123	1.702	50	20	DDGD	
CN1CC[C@@H](NC(=O)NNc2cccc(F)c2Cl)C1=O	1331333962	PZCWBOMCDMTNJI-SECBINFHSA-N	300.721	1.336	50	20	DDGD	
Cc1nn(CC(F)(F)F)cc1C(=O)NNc1ncccn1	1333245411	PJMAILWNNIXBOA-UHFFFAOYSA-N	300.244	1.301	50	20	DDGD	
O=C(Cn1c(=O)oc2ccccc21)NNc1nc2ccccc2[nH]1	1253981875	SVBJPMFWQIODMX-UHFFFAOYSA-N	323.312	1.614	50	20	DDGD	
CCOC(=O)[C@H](NS(=O)(=O)CC(C)(C)CCl)C1CC1	1330367603	USTUEAOCFGMYDE-SNVBAGLBSA-N	311.831	1.513	50	20	DDGD	
C[C@@]1(C(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)C[C@@H]1Br	1332664838	GNUKBIKVNRJPKK-JDVQERKKSA-N	317.183	1.117	50	20	DDGD	
COCc1nocc1C(=O)NNC(=O)c1cccc(Cl)c1	1343671356	OXNYMLBIPXMEFT-UHFFFAOYSA-N	309.709	1.549	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CC[C@@H]1[C@@H](C)Nc2ccnn2[C@@H]1C	1263773660	BDMCPZAAZQACLA-IJLUTSLNSA-N	322.413	1.347	50	20	DDGD	
CN(C)C(=O)COC1CN(C(=O)C2CCC(Cl)CC2)C1	1263757555	YRONYMAVOVMDGQ-UHFFFAOYSA-N	302.802	1.100	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@@H](C(=O)O)C(C)(C)C	1605355582	GLPFFWMMZFHJRK-ZDUSSCGKSA-N	306.362	1.432	50	20	DDGD	
Cc1c(NNC(=O)c2cnn3c2NCCC3)cccc1C(=O)O	1607552713	MXHUGIJDXYKWEL-UHFFFAOYSA-N	315.333	1.462	50	20	DDGD	
Cc1cc(C=NNC(=O)CCN2CCC(C)CC2)oc1C(=O)O	1600185383	OTNJCOPVZLEUBH-UHFFFAOYSA-N	321.377	1.858	50	20	DDGD	
Cc1ccc(NNC(=O)C2(C)COC(C)(C)OC2)cc1C(=O)O	1600461778	ACWMSKACQYHQCI-UHFFFAOYSA-N	322.361	1.926	50	20	DDGD	
C[C@H](Cn1ccnc1)NC(=O)NNc1cccc(C(=O)O)c1	1604247142	MLIIKABITIHWDE-SNVBAGLBSA-N	303.322	1.296	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1ccccc1CC(=O)O	1605511339	HDOJASUCQXLISA-UHFFFAOYSA-N	316.317	1.119	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2CCc3cccc(O)c32)nc1	1608904064	FTNVMQSQTVWVBK-NSHDSACASA-N	313.313	1.659	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ncnc3sccc23)nc1	1602384266	HZHPNZLEUHRASD-UHFFFAOYSA-N	315.314	1.541	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)C1CC2(C1)CC2(F)F	1606857973	HPXNMNFJORVDKV-UHFFFAOYSA-N	321.291	1.140	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1ccoc1C(=O)O	1607340224	KBVIDORSIHHJFV-UHFFFAOYSA-N	302.286	1.679	50	20	DDGD	
O=C(NCC1(C(=O)O)CCCCC1)NNC(=O)c1ccccc1	1601471657	IKMNQFKSXNDEOA-UHFFFAOYSA-N	319.361	1.666	50	20	DDGD	
CCOCc1nc(C)cc(NNC(=O)c2ccc(CN)cc2)n1	1578127400	VOQWJCUZMOVEND-UHFFFAOYSA-N	315.377	1.537	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@H]1CCCC[C@@H]1N	1578505840	BDNXNQYFIIYVSR-KBPBESRZSA-N	305.378	1.804	50	20	DDGD	
O=C(NCc1ccc2c(c1)CNC2)NNC(=O)[C@@H]1CCCS1	1580717831	CILOQUBZMCHUIO-ZDUSSCGKSA-N	320.418	1.016	50	20	DDGD	
N[C@@H]1CN(S(=O)(=O)CCCCl)C[C@H]1c1cccc(F)c1	1580394906	HIJPIAXLLGYVIS-QWHCGFSZSA-N	320.817	1.511	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H](C)OC)C1	1846401662	PAGCGXWMVZHTTD-RYUDHWBXSA-N	316.829	1.632	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)Nc1cc(C(=O)O)ccn1	1588976236	UZSAEGUJFNYZCS-UHFFFAOYSA-N	316.321	1.842	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)c2ccco2)C1	1842368037	XUJCWVWUYYCPNN-JTQLQIEISA-N	300.717	1.631	50	20	DDGD	
Cn1c(C(=O)NNc2ccc(F)cc2)ccc1-c1nn[nH]n1	1592549944	QWWDQQLFMRMKHO-UHFFFAOYSA-N	301.285	1.101	50	20	DDGD	
CCN(C)[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843365946	SXTQKBFTXGMBSI-GHMZBOCLSA-N	319.808	1.064	50	20	DDGD	
CC(C)(CC#N)CNC(=O)NNc1ccc(CC(=O)O)cc1	1590615019	FYONXUOOQWKBHT-UHFFFAOYSA-N	304.350	1.880	50	20	DDGD	
COC(C)(C)[C@H](C)NC(=O)NNc1cccc(C(=O)O)c1F	1599031614	NSTJEIYOYADTIT-QMMMGPOBSA-N	313.329	1.964	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@H](C(=O)O)C(C)(C)C)c1	1594408476	KSIXLCVOLRSXML-CYBMUJFWSA-N	322.361	1.268	50	20	DDGD	
CCCN1CCC[C@H]1C(=O)NNc1ccc(C(=O)O)cc1OC	1595908442	VHSJSXGMHIGHAE-ZDUSSCGKSA-N	321.377	1.711	50	20	DDGD	
CN(NC(=O)c1ccc(-c2nn[nH]n2)cc1F)c1ccccn1	1591154230	IRXNAUSYXGQPHY-UHFFFAOYSA-N	313.296	1.182	50	20	DDGD	
C[N+](C)(C)CC(=O)NN/C=C1/N=Nc2cc(C(=O)O)ccc21	1776011780	NNHLIRQPUQAMEB-UHFFFAOYSA-O	304.330	1.108	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1ccccc1Br	16129904	RTHSERPFFCWTJP-UHFFFAOYSA-N	323.168	1.389	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)NNc1ccc([N+](=O)[O-])cc1	150877041	FUYSYLUJTJWTIR-UHFFFAOYSA-N	315.351	1.109	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(-c2ncn(C)n2)cc1	161313769	JJIQWPSXYHEPJV-JTQLQIEISA-N	316.365	1.681	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@H]1[C@@H]2CCO[C@@H]2C12CCCC2	162757538	KWSRBIBLISCHGK-DRZSPHRISA-N	318.377	1.306	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)c1	158678404	YPDJTCUIKBLRKK-AWEZNQCLSA-N	318.421	1.157	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2cc1O)c1cc[nH]c(=O)c1	160504287	PPLYFKYJVQVGLY-UHFFFAOYSA-N	323.308	1.309	50	20	DDGD	
CC(C)(C)CCCC(=O)NNC(=O)C(=O)Nc1ccccn1	152148693	FMIDMDZCVKXSOA-UHFFFAOYSA-N	306.366	1.384	50	20	DDGD	
CC(=O)N(C)C1CCN(S(=O)(=O)CCCCCl)CC1	153705264	IHVUHUOWKXMJRA-UHFFFAOYSA-N	310.847	1.278	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H]2CCC[C@H]3OCC[C@H]23)nc1	157577435	CACJOXMWHMRFBZ-FRRDWIJNSA-N	306.366	1.674	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)CC1CC1	157892461	QNHOKAFHSUOAFU-UHFFFAOYSA-N	320.349	1.088	50	20	DDGD	
CC(C)(C)S(=O)(=O)CC(=O)NNc1ccncc1Cl	159578101	WMGUUTYJWOQLKP-UHFFFAOYSA-N	305.787	1.391	50	20	DDGD	
COc1cc(C(C)=O)ccc1OCCCC(=O)NNC(C)=O	58832370	HVHMVWSNGGHYQY-UHFFFAOYSA-N	308.334	1.224	50	20	DDGD	
CCc1noc(C)c1C(=O)NNC(=O)COc1ccc(F)cc1	8250315	TZTYDMWUWJKEPV-UHFFFAOYSA-N	321.308	1.525	50	20	DDGD	
COc1ccccc1CCC(=O)NNc1ncnc2nc[nH]c12	173956617	OCEOFYLKYIUNKX-UHFFFAOYSA-N	312.333	1.437	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCc1ccccc1	9961218	LDNOQHXKIYSOMJ-UHFFFAOYSA-N	301.321	1.899	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1cc(-c2ccccc2)on1	108930131	BQHUXAVIGQWFKB-UHFFFAOYSA-N	318.333	1.209	50	20	DDGD	
O=C(NNC(=O)[C@H]1SCCc2ccccc21)c1cccnc1	173034672	CNQUKVTXCHIHCG-AWEZNQCLSA-N	313.382	1.873	50	20	DDGD	
COc1ccnc(NNC(=O)c2c[nH]nc2-c2cccnc2)n1	107046438	RULFKWFBNIFGPY-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccc3ccccc3n2)n(C)n1	52796624	NEZMSEILTCLAON-UHFFFAOYSA-N	324.344	1.743	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2cccc(C#N)c2)C[C@@H](C)O1	103517469	ZHBVGQWDEVPNFC-PHIMTYICSA-N	302.334	1.022	50	20	DDGD	
CN(C)Cc1ccc(C(=O)NNc2ncnc3nc[nH]c23)cc1	173968506	WXOVHNUHGVUFJZ-UHFFFAOYSA-N	311.349	1.171	50	20	DDGD	
Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)cn1	23519019	GJUJCTLCBZNQDO-UHFFFAOYSA-N	313.313	1.008	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@H]1COc2ccccc21	113156489	GYRSHCCHAJFTTM-LBPRGKRZSA-N	301.302	1.286	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCc2ccccc2CC1	116301884	QYLLEPLISSNCPL-AWEZNQCLSA-N	317.433	1.669	50	20	DDGD	
Cc1cc(NNC(=O)Cc2c(C)nn(C(F)F)c2C)ncn1	172283819	CPIMQBDBPZWDDT-UHFFFAOYSA-N	310.308	1.679	50	20	DDGD	
CCN1CCCC[C@H]1CNC(=O)NNc1cncc(Cl)n1	111883287	UXNRTDITGGPGRW-JTQLQIEISA-N	312.805	1.631	50	20	DDGD	
C#CCCCCC(=O)NNC(=O)Cc1nc2ccccc2n1C	179633802	YYYISCHWAUSJNT-UHFFFAOYSA-N	312.373	1.457	50	20	DDGD	
Cc1[nH]c2ccccc2c1CC(=O)NNC(=O)NCC1CC1	68455443	IZKBCGIQZWFEIS-UHFFFAOYSA-N	300.362	1.759	50	20	DDGD	
O=C(NNC(=O)c1cccnc1SC(F)(F)F)NC1CC1	64900229	AYTJCIBJSDJFDK-UHFFFAOYSA-N	320.296	1.800	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CC[C@@H]2CCCCO2)cc1	111548860	OANGVVJKAPWWQY-HNNXBMFYSA-N	319.405	1.904	50	20	DDGD	
CCOC(=O)NNC(=O)c1cnn(-c2ccccc2F)c1C	29559800	OSMFMRXOGLJNDK-UHFFFAOYSA-N	306.297	1.711	50	20	DDGD	
CC(C)OCCCNC(=O)NNC(=O)Cc1ccccc1F	66908115	MSCJMGHBEZSEQI-UHFFFAOYSA-N	311.357	1.514	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccncc2)c(O)nc2ccccc12	175669845	HUMAJCAFTSQGPL-UHFFFAOYSA-N	322.324	1.719	50	20	DDGD	
Cc1n[nH]c(C)c1CCC(=O)NNC(=O)c1ccc(C#N)cc1	129160199	ZFGCIGOLLRQGHK-UHFFFAOYSA-N	311.345	1.292	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(-n2cccn2)nc1	183983653	ROMWLCINTQKZRD-SNVBAGLBSA-N	302.338	1.466	50	20	DDGD	
O=C(CO)NNC(=O)c1cc2c(s1)-c1ccccc1CC2	180961174	OAYVETUGLNWKOX-UHFFFAOYSA-N	302.355	1.267	50	20	DDGD	
CC(C)[C@@]1(C)C[C@@H]1C(=O)NNc1nccc(N2CCOCC2)n1	185761083	BSDIWCOMCMCEKU-MLGOLLRUSA-N	319.409	1.439	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NNc2ccncc2)C1	180463001	FQBKYKWUOWVHJZ-OLZOCXBDSA-N	304.394	1.809	50	20	DDGD	
Cc1csc(=O)n1CCC(=O)NNc1cc(Cl)ccn1	183011678	PHOFDZKWGFDQGM-UHFFFAOYSA-N	312.782	1.800	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ccccc2C(F)(F)F)cn1	122529740	AMKUTAUQKCYZCK-UHFFFAOYSA-N	324.262	1.956	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)[C@@H](O)c1ccccc1	123843887	BKACKURKBGSBPG-NSHDSACASA-N	312.251	1.672	50	20	DDGD	
CC1(C)[C@@H](NC(=O)NNc2nc3ccccn3n2)[C@H]2CCO[C@@H]21	189242615	QDOVREXVISDNOG-USWWRNFRSA-N	316.365	1.169	50	20	DDGD	
CC(=O)Nc1ccc(C)c(C(=O)NNC(=O)c2ccc(C)o2)c1	188271821	QHBUBIVKTQVWGD-UHFFFAOYSA-N	315.329	1.930	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)o1	72798302	JHSVGOWLGDEKSB-SECBINFHSA-N	321.308	1.659	50	20	DDGD	
CCC[C@@H]1C[C@H](C(=O)NNC(=O)CNc2ccccc2)CCO1	182942759	JJAPYPWGVGYVAE-UKRRQHHQSA-N	319.405	1.841	50	20	DDGD	
CN(NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(N)=O	182666337	OTUDQYVBFVZCEJ-UHFFFAOYSA-N	321.318	1.374	50	20	DDGD	
COc1ccc2c(=O)c(C(=O)NNC(=O)CC(C)C)c[nH]c2c1	46910159	CBPVFUKELXYLNG-UHFFFAOYSA-N	317.345	1.344	50	20	DDGD	
CCn1cnnc1CNC(=O)NNC(=O)Nc1ccccc1C	46965209	ZYNWZGRGZVVJHR-UHFFFAOYSA-N	317.353	1.142	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)CC(C)C)c(C)c1	48653568	UJGXDDMBPNWPBC-UHFFFAOYSA-N	300.380	1.359	50	20	DDGD	
O=C(COC1CCCC1)NNC(=O)c1ccc2c(c1)OCCO2	44397952	WHNVVENAYFQRSG-UHFFFAOYSA-N	320.345	1.178	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCOc1ccccc1Cl	190061154	AMPSLQXHWZBIJA-UHFFFAOYSA-N	300.742	1.027	50	20	DDGD	
Cc1cccc(-n2cc(C(=O)NNC(=O)c3ccncc3)nn2)c1	195452736	QJSXOIVYQSJYKF-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc2c(c1)ncn2C	91821888	XNQGQQVBWJPECC-UHFFFAOYSA-N	323.447	1.045	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@H]32)o1	248297038	ZEYDZQWJVYUODN-NWANDNLSSA-N	311.341	1.870	50	20	DDGD	
COCCn1c(C)cc(C=NNC(=O)c2ccncc2)c1C	252462989	YABZERFBDMWPDZ-UHFFFAOYSA-N	300.362	1.910	50	20	DDGD	
CCCCN(C)C(=O)C1CCN(C(=O)/C(C#N)=C/OCC)CC1	269479383	OFQFIWXLROPDBZ-FYWRMAATSA-N	321.421	1.927	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2CCCS2)cc1	266518529	IKLHJXQMKIZZRD-ZDUSSCGKSA-N	308.403	1.671	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C2CCC2)c(=O)oc2ccccc12	267469168	OLMANDVSIYWVFE-UHFFFAOYSA-N	300.314	1.663	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C(C)(C)C	265206629	DHKXKKPKZPBYRR-MFKMUULPSA-N	306.362	1.656	50	20	DDGD	
CCOC(=O)NCC(=O)NNC(=O)[C@@H](CC)c1ccccc1	264711606	BPDXOJTWPXGXQG-LBPRGKRZSA-N	307.350	1.074	50	20	DDGD	
C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)NNc1nc2ccccn2n1	365704511	PTYRWYGQSADZMY-IINYFYTJSA-N	324.344	1.878	50	20	DDGD	
CC(C)(C)c1ccccc1NC(=O)C(=O)NNC(=O)C1CC1	274063399	NRTQAYRWBVYPMN-UHFFFAOYSA-N	303.362	1.480	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)NCCCC#N)c1	273293642	SUGAZQOGIXARNT-UHFFFAOYSA-N	304.350	1.316	50	20	DDGD	
COC1(CC(=O)NNC(=O)COc2ccc(C#N)cc2)CCC1	276705270	PPNVJCQKPOULSA-UHFFFAOYSA-N	317.345	1.044	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc(C)n[nH]2)cc1C1CC1	278445371	QAMPUKGCTGYOQI-UHFFFAOYSA-N	314.345	1.679	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C1=C(C)OCCC1	270161778	ZDMVJFLDMDNZMI-UHFFFAOYSA-N	320.345	1.306	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C[C@H](C)c2c(C)n[nH]c2C)n1	279769310	HBGCAOGOPVYKJR-VIFPVBQESA-N	315.377	1.685	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1CCCN1Cc1ccccc1	281196044	KPOIIOIJMCZUKY-AWEZNQCLSA-N	318.446	1.332	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Nc1ccnc(C)c1	284832465	YZCJUUMTTRAHBM-UHFFFAOYSA-N	310.354	1.332	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cc2n(n1)CCCC2	287275941	HSWODJSAXZTJRD-UHFFFAOYSA-N	303.326	1.167	50	20	DDGD	
CO[C@H](C(=O)NNC(=S)Nc1cc(C)ccc1F)C1CC1	280737462	JLEVYLODVCQPOJ-LBPRGKRZSA-N	311.382	1.877	50	20	DDGD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NNc1ccc(-n2ccnc2)nn1	286449195	AAIPRADLVYTYPZ-MNOVXSKESA-N	314.349	1.111	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NNc2cccc(S(C)(=O)=O)c2)O1	281922083	AGVCLLXDUIGPKT-GIPNMCIBSA-N	312.391	1.347	50	20	DDGD	
CCNC(=O)NNC(=O)Nc1cc(OC)c(Cl)cc1OC	296292540	VCOXFTJMGHXPQJ-UHFFFAOYSA-N	316.745	1.713	50	20	DDGD	
O=C(CCc1ncc[nH]1)NNc1ccc(-c2ccccc2)nn1	807031628	BHDPCUJVDRHSEQ-UHFFFAOYSA-N	308.345	1.943	50	20	DDGD	
CC[C@H](C)CONC(=O)NNC(=O)c1ccc2c(c1)OCCO2	291699409	FFZSYFJNHKJZMV-JTQLQIEISA-N	323.349	1.380	50	20	DDGD	
C#CC[C@@H](NC(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccc1	296631417	YXALHWAURSUPKI-CABCVRRESA-N	315.373	1.651	50	20	DDGD	
CCC(=O)N1CCC[C@@H](C(=O)NNC(=O)Nc2ccccc2)C1	801986731	TWCKJHIZQLSTJH-GFCCVEGCSA-N	318.377	1.488	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1cnc2ccccn12	804958863	PVOFQGFPPQBNSN-UHFFFAOYSA-N	320.316	1.067	50	20	DDGD	
COCCOC1CCC(C(=O)NNc2ncncc2F)CC1	293864028	CPPSLDZMGQVNIN-UHFFFAOYSA-N	312.345	1.281	50	20	DDGD	
CCCCN(C)C[C@H](C)NC(=O)NNc1nc(C)cc(C)n1	290988598	RKEGYGNUPVLXND-ZDUSSCGKSA-N	308.430	1.840	50	20	DDGD	
COCCN(C)NC(=O)c1nn(-c2ccccc2)cc1OC	293545152	GKEMMIUNHDYZAS-UHFFFAOYSA-N	304.350	1.104	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1nccnc1C1CCC1)C(C)C	805463116	YUNQZEFLBGMHJF-LBPRGKRZSA-N	305.382	1.348	50	20	DDGD	
CC[C@H](C)N[C@H](CNC(=O)NNc1cccnn1)c1ccco1	807443233	GBEQJFVAIUOAJI-NWDGAFQWSA-N	318.381	1.825	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2ccnn2C)cc1C	291321278	UTSUKQNPVHIMED-UHFFFAOYSA-N	302.334	1.662	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1sccc1Cl	803351655	GLAAURFRWNREPB-UHFFFAOYSA-N	301.677	1.908	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)C[C@@](C)(O)C2CC2)cc1	802125021	ZNCQLPOBQDLUIT-MRXNPFEDSA-N	320.393	1.456	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)C1=Cc2ccccc2OC1	802033811	OWEKPHKWKIOPQY-UHFFFAOYSA-N	310.313	1.132	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1Cl	294165806	IPMCDGRUTQOGSU-UFBFGSQYSA-N	312.753	1.677	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C[C@H](C)c1ccncc1	807369319	VOHQQKPROMRPGQ-LBPRGKRZSA-N	323.393	1.512	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cc(C(C)C)on2)cc1	295483775	SGZCYGQQFHPPCE-UHFFFAOYSA-N	316.361	1.980	50	20	DDGD	
O=C(NCCNC(=O)c1cccs1)NNc1ncccc1F	804960665	TVOZNDXMLOIHAX-UHFFFAOYSA-N	323.353	1.338	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1ccc(Br)cc1Cl	816634250	CEOIFHJBOWRDLO-UHFFFAOYSA-N	316.546	1.978	50	20	DDGD	
CC(C)(C)c1noc(CCCC(=O)NNC(=O)CC2CC2)n1	819115002	YZLFJPBGHWLFDT-UHFFFAOYSA-N	308.382	1.637	50	20	DDGD	
CC(C)OCCONC(=O)NNC(=O)Cc1ccccc1F	812948441	PZHLVSFRCRQWFR-UHFFFAOYSA-N	313.329	1.055	50	20	DDGD	
CCCCNC(=O)NNC(=O)COc1cc(F)cc(F)c1	810585479	VVWLPYFMNDCKSM-UHFFFAOYSA-N	301.293	1.474	50	20	DDGD	
CCCCNC(=O)NNC(=O)COc1ccc(Cl)c(F)c1	815113740	JIBSDTLHOAMZQH-UHFFFAOYSA-N	317.748	1.988	50	20	DDGD	
CN(NC(=O)[C@H]1CCCN1c1ncnc2ccccc12)C1CC1	819646081	ZUICQIXGPARJEZ-OAHLLOKOSA-N	311.389	1.724	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1ccc(C#N)c(F)c1	817322531	BHLMUIIQFVJNFF-LBPRGKRZSA-N	318.352	1.116	50	20	DDGD	
CC1(C)OCCC1=NNC(=O)C(=O)NCc1ccc(Cl)cc1	814891836	BEMZPYHWWJAHFV-UHFFFAOYSA-N	323.780	1.627	50	20	DDGD	
Cc1csc([C@@](O)(CC(=O)NN(C)C2CC2)C(F)(F)F)n1	819646422	XXMMOOADULXFQM-NSHDSACASA-N	323.340	1.717	50	20	DDGD	
CC[C@@H](C)CONC(=O)NNc1ccccc1S(C)(=O)=O	813822074	DSVGJXZKPYRRIP-SNVBAGLBSA-N	315.395	1.694	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=C1C(=O)Nc2ccc(Cl)cc21	814958038	ZNGIXMLABJENHV-UHFFFAOYSA-N	303.709	1.078	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1ncccc1Cl	816660238	VWQRHGUMBDHXSH-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	812451961	OHUAXPSTQICXIV-RYUDHWBXSA-N	317.389	1.776	50	20	DDGD	
CN(C)[C@H](CNS(=O)(=O)CCCCl)c1ccsc1	726867873	CFUAAKYSKZKSIX-LLVKDONJSA-N	310.872	1.899	50	20	DDGD	
COc1cccc2c1OCC[C@H]2NC(=O)NNC(=O)C(C)C	725874846	ONLZDXYTZHPWOD-LLVKDONJSA-N	307.350	1.505	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	822200450	IJEYJJFRCPJOLZ-ZDUSSCGKSA-N	310.350	1.280	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)s1	496876712	RGGZZAUUTQPYHX-UHFFFAOYSA-N	318.298	1.706	50	20	DDGD	
CCO[C@@H]1CCCC1=NNC(=O)CCNC(=O)OC(C)(C)C	496682642	UDPWKZDPUWCQHG-GFCCVEGCSA-N	313.398	1.962	50	20	DDGD	
O=C(NNC(=O)c1cnc(-c2ccccn2)s1)NC1CC1	727673767	WBJUCLIBJYQEHQ-UHFFFAOYSA-N	303.347	1.312	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](C(=O)NNC(=S)NCC2CCC2)CCO1	824437668	XYTIEKVUJXDDRE-STQMWFEESA-N	313.467	1.733	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNC(=O)Nc1ccccc1)C(C)C	822760157	GZOBFYZLOZVDOI-LBPRGKRZSA-N	307.350	1.675	50	20	DDGD	
CN(C)[C@H](CNC(=O)/C(C#N)=C\c1cnn(C)c1)c1ccccc1	491049557	NDEMFEDWVADBQR-VHEJECIDSA-N	323.400	1.746	50	20	DDGD	
COC(=O)c1ccc(/C=C(\C#N)C(=O)N=c2cc[nH]cc2)n1C	821039979	UZAQQLJSQBNGJR-PKNBQFBNSA-N	310.313	1.174	50	20	DDGD	
CC(C)(C)OC(=O)N1CC=C(C(=O)NNc2ccncn2)CC1	497052076	FUEBHABRHZUZOK-UHFFFAOYSA-N	319.365	1.487	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@H]1CCCCN1Cc1ccccc1	823952635	SQZDYQUESKUHSO-GDBMZVCRSA-N	305.422	1.385	50	20	DDGD	
COC(=O)N(C)NC(=O)C(F)(F)Oc1ccc(C=O)cc1	497053376	JSTGVPSOBGXEML-UHFFFAOYSA-N	302.233	1.200	50	20	DDGD	
CCN(CCO)NC(=O)Cc1ccc(Br)cc1	823834075	QTKNZSKDFPPWKC-UHFFFAOYSA-N	301.184	1.337	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(C)sc1Br	823864797	DIYUSWSNKXYTCT-UHFFFAOYSA-N	307.213	1.778	50	20	DDGD	
CN1CC[C@@](Cc2ccccc2)(C(=O)NN=c2cc[nH]cc2)C1=O	821788642	WUGPTOOKGNSEEA-GOSISDBHSA-N	324.384	1.038	50	20	DDGD	
C#CCCOc1ccc(C(=O)NNC(=O)NCCCC)cc1	822777722	PGZCCVYQBMGANP-UHFFFAOYSA-N	303.362	1.833	50	20	DDGD	
COc1ccc2cccc(CC(=O)NN(C)[C@H](C)CO)c2c1	823939127	GAOHRPRNTDKWOY-GFCCVEGCSA-N	302.374	1.735	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCc2ccc(F)c(F)c2)nn1	490662934	FQDUITDKOOIOIK-YHYXMXQVSA-N	303.272	1.317	50	20	DDGD	
CN(C)CCn1ccc(NC(=O)NNC(=O)OC(C)(C)C)n1	495277209	SRHTXRAMIWALSR-UHFFFAOYSA-N	312.374	1.006	50	20	DDGD	
CC(C)C#CC(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1	827237337	PPVKOGPKZKRUEN-UHFFFAOYSA-N	316.365	1.389	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1ccccc1	827259209	HQZWGDKBLSFOFP-UBHSHLNASA-N	301.346	1.116	50	20	DDGD	
CCOC(CCNC(=O)NNC(=O)OC(C)(C)C)OCC	492189303	PYLZAFADMZFRPX-UHFFFAOYSA-N	305.375	1.515	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2[nH]cnc2C)cc1C	823066606	ALFOLEWCTGNJPN-UHFFFAOYSA-N	302.334	1.960	50	20	DDGD	
CCc1nc(NC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)n[nH]1	490813965	SPLINBKEAZVOLP-WZUFQYTHSA-N	309.333	1.431	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)/C=C/[C@H]2CCOC2)cc1	493325052	RUTCHXVLZMRMPO-DGDCUBRUSA-N	318.377	1.498	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)Cc1csc(Cc2ccccc2)n1	823970454	HBOBXSKLEQKLIF-GFCCVEGCSA-N	319.430	1.620	50	20	DDGD	
CC(C)c1ccccc1NC(=S)NNC(=O)[C@@H]1C[C@@H]1C(N)=O	907860696	RJSFGNWQQSAKEF-WDEREUQCSA-N	320.418	1.249	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H](C)Cc1cnc2ccccc2n1	823889241	NUPFQXZCHKRLFD-LBPRGKRZSA-N	302.378	1.154	50	20	DDGD	
CC(C)[C@H]1c2ccccc2CCN1C(=O)c1ccc(B(O)O)cc1	584959012	AVVJLQIWVNETGO-SFHVURJKSA-N	323.201	1.762	50	20	DDGD	
O=C(NNc1ccc(F)cc1)c1cnn([C@@H]2CCCNC2)c1	826615113	ZCNLSERNMBNKFL-CQSZACIVSA-N	303.341	1.704	50	20	DDGD	
Cc1nc(C)n(C2CN(C(=O)[C@@]3(C)C[C@H]3Br)C2)n1	907991427	GPBKWRONYIJXSB-PWSUYJOCSA-N	313.199	1.452	50	20	DDGD	
O=C(NNS(=O)(=O)c1coc2ccccc12)[C@@H]1CCCCO1	901929174	BDUFYOIHMQDGPM-LBPRGKRZSA-N	324.358	1.311	50	20	DDGD	
C[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1cccc(B(O)O)c1	584910521	CCEJXGJCBNEJRG-TYNCELHUSA-N	305.183	1.289	50	20	DDGD	
CN1CCC[C@@H]2CN(C(=O)/C(C#N)=C\c3cnn(C)c3)CC[C@H]21	491082751	JWTOVHFXDLMECY-HHFCYPSPSA-N	313.405	1.270	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)c1ccc(Cl)nc1	837349324	JEJAAKYZYRSKOJ-FXBDTBDDSA-N	307.737	1.111	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc2c(c1)CCCN2C(C)=O	494365178	PURSRMPGDVLZGR-UHFFFAOYSA-N	320.349	1.768	50	20	DDGD	
O=C(NNS(=O)(=O)c1coc2ccccc12)[C@H]1CCCCO1	901929173	BDUFYOIHMQDGPM-GFCCVEGCSA-N	324.358	1.311	50	20	DDGD	
Cc1ccccc1OCCCNCc1ccc(B(O)O)cc1F	585021497	ARNONMIIXRULJK-UHFFFAOYSA-N	317.169	1.373	50	20	DDGD	
CN(C)CC(=O)NN=Cc1cc(F)cc(Br)c1	834954894	XMHVACWLMOAOOG-UHFFFAOYSA-N	302.147	1.600	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)cc1C(=O)O	901258857	KYDJQQZESPXPHZ-MRVWCRGKSA-N	302.330	1.711	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=C/C=C\c1ccccc1	730585881	RUSKWJVMRJPRHZ-JVXWVONSSA-N	314.370	1.829	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CSCc2ccc(F)cc2)cn1	735445928	JBWOLJVEFFESQN-UHFFFAOYSA-N	322.365	1.254	50	20	DDGD	
O=C(CCCc1ccc2c(c1)CCCC2)N1CC[C@@H](B(O)O)C1	585064439	QCSXUWHJBUXYEV-QGZVFWFLSA-N	315.222	1.963	50	20	DDGD	
CCN(CC(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccc1	833255077	BNTYXCLHDVXYBP-AWEZNQCLSA-N	305.378	1.229	50	20	DDGD	
O=CN1CCC[C@@H]1C(=O)NNc1ncc(Cl)cc1Cl	832394766	BOPOJGKLZXARPM-SECBINFHSA-N	303.149	1.452	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCOC[C@@H]2CCCO2)cc1	838477707	HMNNYBOBIFNBFF-HNNXBMFYSA-N	323.393	1.907	50	20	DDGD	
CN(CCCNCc1ccc(B(O)O)cc1)c1ccccc1F	585018922	WOFNLLBCOQANHL-UHFFFAOYSA-N	316.185	1.122	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H]1CC(c2ccccc2C)=NO1	906424499	FHZJKEKKTWEEHN-CYBMUJFWSA-N	304.350	1.228	50	20	DDGD	
CC[C@H](Cc1ccc(C)cc1)NC(=O)c1ccc(B(O)O)cc1	584956163	UEPFBOICFLWCCT-QGZVFWFLSA-N	311.190	1.426	50	20	DDGD	
C[C@H](OC[C@H]1CCCO1)C(=O)NNc1cnnc2ccccc12	733810890	DKPSBHXFNIIFKO-NWDGAFQWSA-N	316.361	1.657	50	20	DDGD	
N#Cc1cccc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])c1	839397428	MAUFTMPJEQJJTD-UHFFFAOYSA-N	324.296	1.996	50	20	DDGD	
C[C@@H](CNCc1cccc(B(O)O)c1)c1ccc(F)c(F)c1	585027454	UBGUMYCLDSBCEX-NSHDSACASA-N	305.133	1.538	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCC2(CCCCCC2)C1	584959911	FLUGJVFXUQIORB-UHFFFAOYSA-N	301.195	1.553	50	20	DDGD	
Cc1ncsc1C(=O)NNc1ccccc1S(C)(=O)=O	732303617	KAROVIYYMJCLNT-UHFFFAOYSA-N	311.388	1.612	50	20	DDGD	
Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CC[C@H](B(O)O)C1	585072812	RUVJSWHEHXQUAN-ZDUSSCGKSA-N	313.166	1.178	50	20	DDGD	
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NN(C)C[C@@H](C)O	910182153	GFFDGISWTCXSEM-MNOVXSKESA-N	300.786	1.760	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	837540774	ZGDLTOJATWXFSW-SFGNSQDASA-N	324.178	1.902	50	20	DDGD	
C#Cc1ccc(C(=O)NNc2ccccc2S(C)(=O)=O)nc1	732306058	VYRFCKTUFZEEPQ-UHFFFAOYSA-N	315.354	1.223	50	20	DDGD	
O=C1CCN(S(=O)(=O)c2ccc(CCCl)cc2)CC1	917849158	LNUZCPIKWMCAGM-UHFFFAOYSA-N	301.795	1.822	50	20	DDGD	
CN(C)CCNC(=S)NNC(=O)Nc1cc(F)cc(F)c1	745035012	BAPOKGPBFRKXDX-UHFFFAOYSA-N	317.365	1.027	50	20	DDGD	
C[C@]1(C(=O)NNc2ncc(Cl)cn2)C[C@H]1Br	912826079	MMOPIOOKFRGZNX-MUWHJKNJSA-N	305.563	1.747	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)CNC(=O)C(C)(C)C)o1	746523933	HZDSALALNBNDLE-UHFFFAOYSA-N	307.354	1.275	50	20	DDGD	
O=C(NCCc1ccc(O)cc1)NNC(=O)c1ccccc1F	749347258	PAMVATXBLFNRCW-UHFFFAOYSA-N	317.320	1.718	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C)C1CC1	849226951	QEKOQZWONFGAII-SNVBAGLBSA-N	312.414	1.058	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12	743448133	ZRHBUPGVIRCMFJ-YJQGPUDQSA-N	316.361	1.359	50	20	DDGD	
Nc1ccc(NC(=O)NNC(=O)C2CC2)c(C(F)(F)F)c1	841294161	GBRCRUWHSULHSD-UHFFFAOYSA-N	302.256	1.850	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=C2CCN(C)[C@H](C)C2)n1	741452866	INQYNYIQOJBGFQ-GFCCVEGCSA-N	321.450	1.772	50	20	DDGD	
Cn1cc(/C=C(\C#N)c2nc(C3CC3)cs2)c(=O)n(C)c1=O	843273389	RHDSCQGADQRAOM-BJMVGYQFSA-N	314.370	1.482	50	20	DDGD	
Cc1cc(C)c(NCC(=O)NNC(=S)NCC2CC2)c(C)c1	849252858	LHLAPEKADGTEHK-UHFFFAOYSA-N	320.462	1.929	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N[C@@H]1CCCNCC1)c1ccccc1	841977750	JCGQVWMOJFJIMF-HUUCEWRRSA-N	318.421	1.653	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@H]2CC2(Cl)Cl)n1	915907648	BCKGOHKHWRYHPF-LURJTMIESA-N	306.153	1.305	50	20	DDGD	
COc1ccc(CNC(=O)NNc2nc(C)cc(OC)n2)cn1	746746097	FDWQVTILYNLSTI-UHFFFAOYSA-N	318.337	1.024	50	20	DDGD	
CNCCCNC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	841914404	DHLKGQKJRZMNDM-ZDUSSCGKSA-N	322.409	1.011	50	20	DDGD	
COc1cccc([C@H](C)C(=O)NNC(=O)CC(F)(F)F)c1	919751017	MRHKWDWBUMUSFU-QMMMGPOBSA-N	304.268	1.899	50	20	DDGD	
O=C(C[C@H]1C(=O)Nc2ccccc21)NNC(=O)C1CCCC1	748618211	QLQNFXCKCQJGME-GFCCVEGCSA-N	301.346	1.450	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)CCC(C)(F)F)c1	915691289	VBXOCBZFZFYLON-UHFFFAOYSA-N	316.304	1.900	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)[C@@H]1CCCN1C(=O)C1CC1	844136771	IKPAMGBUKZDAHO-ZDUSSCGKSA-N	313.361	1.407	50	20	DDGD	
COCCCCNC(=O)NNc1ccc(CC(=O)OC)cc1	844885704	QMQJEGICOUCMJC-UHFFFAOYSA-N	309.366	1.455	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCCc2cccnc21	843657375	QTPDSGPCHXYEMW-UHTWSYAYSA-N	303.362	1.074	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CS[C@@H](C)C2)c1	840421784	ZOCGIEKYFPHFGT-JOYOIKCWSA-N	309.391	1.993	50	20	DDGD	
COc1ccc(NC(=O)NNC(=S)NC[C@@H]2CCOC2)cc1	749716631	BNNRCCPHYNUOBJ-JTQLQIEISA-N	324.406	1.232	50	20	DDGD	
CNC(=O)NC(=O)CCN(C)CCO[Si](C)(C)C(C)(C)C	844345029	AURAXJYOKZMAIL-UHFFFAOYSA-N	317.506	1.786	50	20	DDGD	
N[C@@H]1CCC[C@@H](NC(=O)NNC(=O)Cc2ccc(Cl)cc2)C1	841981788	IXHRZZCXDUMIEN-CHWSQXEVSA-N	324.812	1.483	50	20	DDGD	
C[C@@H](CN)NC(=O)NNC(=O)CSc1ccc(Cl)cc1	841982828	RKVFGJFOVXUZCY-QMMMGPOBSA-N	316.814	1.110	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NCC2CCNCC2)ccc1F	841923339	CQIUNKUYWXGSNI-UHFFFAOYSA-N	324.356	1.238	50	20	DDGD	
Cn1ccnc1[C@@H]1CCN(S(=O)(=O)CC(C)(C)CCl)C1	867015125	VUTIDEBAPSGVPB-LLVKDONJSA-N	319.858	1.804	50	20	DDGD	
Cc1cc(OCC(=O)NNC(=O)C(C)(C)c2ccccc2)no1	921189179	GDLXPLYVRWVOKJ-UHFFFAOYSA-N	317.345	1.487	50	20	DDGD	
Cn1nc(C2CC2)cc1CNS(=O)(=O)CBr	921899574	MNCQIVYYMWTPAN-UHFFFAOYSA-N	308.201	1.069	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccc2c1OC(C)(C)C2	847284978	AGMKHHNBWBIJNC-UHFFFAOYSA-N	305.403	1.695	50	20	DDGD	
O=C(Cn1ccc2ccc(F)cc21)NNC(=O)NCC1CC1	843774910	JNHAYGKMWPIEAM-UHFFFAOYSA-N	304.325	1.521	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)C(=O)c1ccc(Cl)s1	758284975	LSQNQRKZMDGCJE-UHFFFAOYSA-N	323.761	1.369	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1	920054612	SHIIVRBCYIHUKC-SECBINFHSA-N	306.322	1.585	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cn(C)c2ccccc12	755764936	UZYONEFPFWJWNI-LBPRGKRZSA-N	303.362	1.680	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ccc(CO)c(F)c2)n1	857487085	XTPTYASOVYEQAR-UHFFFAOYSA-N	311.704	1.101	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)Cc2nonc2C)c1C	854186782	WNLGNUIERINQON-UHFFFAOYSA-N	319.390	1.555	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NN=CC1(C)COC1	853377451	STILBPGHVYLTOJ-DGCLKSJQSA-N	306.366	1.026	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cnc(F)c(C)c1	857715380	JYDBHLUKYGNVHC-UHFFFAOYSA-N	302.400	1.001	50	20	DDGD	
Cn1cc([C@@H]2C[C@H]2C(=O)NNC(=O)c2cccc(Cl)n2)cn1	857324270	CCUSARMLNFNXOR-VHSXEESVSA-N	319.752	1.033	50	20	DDGD	
COC[C@H](CNC(=O)NNc1ccc(Cl)c(C)c1)OC	921876793	PEONOCFGZJWHTH-NSHDSACASA-N	301.774	1.936	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)COc2cc(C)ccc2C)co1	753772966	ZEUYRGBFFIMOGE-UHFFFAOYSA-N	317.345	1.694	50	20	DDGD	
O=C(Cc1cnccc1Cl)NNC(=O)OCC(F)(F)F	856019601	YLKQBXMHKPLZTD-UHFFFAOYSA-N	311.647	1.597	50	20	DDGD	
N#Cc1ccc(NNC(=O)COC[C@@H]2CCCO2)cc1Cl	753307009	YPWPUZMOVAQALD-LBPRGKRZSA-N	309.753	1.850	50	20	DDGD	
C[C@]1(CNC(=O)N2CCO[C@@H](C#N)C2)C[C@@H]1Br	856955336	LCFKLHQWJABQIZ-ATZCPNFKSA-N	302.172	1.094	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1ccn(CC(F)F)n1	756868907	YWLJJBYJCRZUQI-UHFFFAOYSA-N	310.264	1.010	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1	853825934	WYPWHPNMJHUZGU-LLVKDONJSA-N	306.341	1.524	50	20	DDGD	
CCN(C(=O)/C(C#N)=C/c1cnn(C)c1)[C@H](CO)c1ccccc1	922084211	MUWGRMWFMPYWNQ-JDZKTDJGSA-N	324.384	1.909	50	20	DDGD	
O=C(CO)NNC(=O)c1ccc(Oc2ccncc2)c(Cl)c1	753437692	BAMLNZINYBHLMA-UHFFFAOYSA-N	321.720	1.281	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)/C=C\c1cncc(C)c1	854283223	MOWPBDSBXPRHAS-WAYWQWQTSA-N	322.434	1.277	50	20	DDGD	
Cc1cc(C)n(CC(=O)NC[C@]2(C)C[C@@H]2Br)n1	857404048	RJRIHTDHMSKJRC-JQWIXIFHSA-N	300.200	1.790	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNc2ncc(Cl)cn2)C12CCC2	856915590	PYHSGQXSOCLPNY-UWVGGRQHSA-N	311.773	1.714	50	20	DDGD	
Cc1cccc(C)c1C=NNC(=O)N[C@H]1CCS(=O)(=O)C1	755665301	UZXALJAWKOYDRQ-LBPRGKRZSA-N	309.391	1.124	50	20	DDGD	
N#CSCCCNC(=O)CSCC(=O)N1CCCCC1	854363383	YCHCCPCINUIAPA-UHFFFAOYSA-N	315.464	1.453	50	20	DDGD	
COc1cncc(C(=O)NNc2cc(C(F)(F)F)ccn2)n1	857513744	JTISSZXLKPIHDN-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
CO[C@@H](C=NNC(=O)CNC(=O)c1cccnc1)C1CCCC1	853318120	NHSAAAWRUMTDDL-AWEZNQCLSA-N	318.377	1.119	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1ccc[nH]1)c1ccc(F)cc1	920054547	NLHLPNZJRDBWRP-JTQLQIEISA-N	304.325	1.902	50	20	DDGD	
CSC1(CNC(=O)NNC(=O)c2cccc(F)n2)CCC1	852286314	CSRJGLDBJGUFBO-UHFFFAOYSA-N	312.370	1.450	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cnco2)c1C	758075944	NXAAJHSJLJOUQG-LLVKDONJSA-N	303.318	1.520	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@@H]1CCCS(=O)(=O)C1	853953476	LJBFTHBRRGLKPZ-LLVKDONJSA-N	315.370	1.337	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=C[C@H]1C[C@@H]1c1ccccc1	755753865	NTCUNYGCHXZOMR-DGCLKSJQSA-N	312.329	1.336	50	20	DDGD	
CC(Cc1cccc(F)c1)=NNC(=O)[C@H](C)CN1CCOCC1	759192157	MWCQNYMKHVSRDX-CYBMUJFWSA-N	321.396	1.829	50	20	DDGD	
O=C(CCc1cncnc1)NNc1cc(C(F)(F)F)ccn1	857513590	HINYSHUZJSNRJU-UHFFFAOYSA-N	311.267	1.966	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(C(C)(C)C)ccc1OC	755411211	TXBIOQIDKOAKTO-UHFFFAOYSA-N	309.366	1.792	50	20	DDGD	
O=C(CN1CC[C@H](c2ccc(F)cc2)C1)NNC(=O)C1CC1	755998058	IDYRTSBTKLFENC-ZDUSSCGKSA-N	305.353	1.172	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc2c(cnn2C(F)F)c1	757756791	UPKISTMQHXBKCS-UHFFFAOYSA-N	313.264	1.231	50	20	DDGD	
N#Cc1cccc(OCC(=O)NNc2cc(Cl)nc(N)n2)c1	753452649	URQWBVGEDNHSPU-UHFFFAOYSA-N	318.724	1.106	50	20	DDGD	
Cn1cc(C#N)c(NC(=O)NNC(=O)CCc2ccccc2)n1	756869563	ASXUTBCMUOJEAG-UHFFFAOYSA-N	312.333	1.077	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@H]1CC1(Cl)Cl	863091457	IYNHYTCSNKJYHA-GSVOUGTGSA-N	301.042	1.999	50	20	DDGD	
C[C@](NC(=O)NNC(=O)[C@H]1CCCCO1)(C1CC1)C(F)(F)F	933573839	VVHXLFKWXSCLJA-SKDRFNHKSA-N	323.315	1.617	50	20	DDGD	
O=C(NNc1ncccn1)c1cnn(CCO)c1-c1ccccc1	764146190	CRQTXYVPJOGFFF-UHFFFAOYSA-N	324.344	1.089	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCCC[C@H]1c1ccccc1	867422233	WBLWZUTXADHHMT-KRWDZBQOSA-N	309.174	1.734	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)Cc2cc(C)[nH]n2)c1	869012898	GRWPACUMKRBCAW-UHFFFAOYSA-N	316.361	1.049	50	20	DDGD	
CNC(=O)C1CCC(NS(=O)(=O)CC(C)(C)CCl)CC1	866648065	YDHGCMSWVBLUGD-UHFFFAOYSA-N	324.874	1.476	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc(CN2CCCCC2)o1	932517173	TXQWFKBLGDIGNG-UHFFFAOYSA-N	305.378	1.827	50	20	DDGD	
CC(=O)Nc1ccc(Cl)c(C(=O)NNc2cccnn2)c1	768135762	YZDXAPLOSXGVCA-UHFFFAOYSA-N	305.725	1.845	50	20	DDGD	
CCN(CC(=O)N(C)C)/C(=C\C#N)c1ccc([N+](=O)[O-])cc1	764193179	PUSUUCQJFNQKFY-ZROIWOOFSA-N	302.334	1.869	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1CCCN(CC(F)F)C1	864428265	CXCASWQRFVKLAD-SECBINFHSA-N	307.341	1.519	50	20	DDGD	
CCC1(CC)C(=NNC(=O)[C@@H](C)OCCOC)C[C@@H]1OC	762601714	ADJRWQNQUODYDA-YPMHNXCESA-N	300.399	1.735	50	20	DDGD	
C[C@@H]1CN(c2ccc(C(=O)NNC(=O)N(C)C)cc2)C[C@@H](C)O1	865047532	QFFNJICRZFJMAR-VXGBXAGGSA-N	320.393	1.216	50	20	DDGD	
CCC(CC)n1nc(C)cc1C(=O)NNC(=O)c1cn[nH]c1	862471075	QBHHAYRDRTXNHY-UHFFFAOYSA-N	304.354	1.351	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)/C=C2/CC[C@@H](C)C2)C[C@H](C)O1	762786331	BZFJGWPCTQDBLQ-XVSRGSIWSA-N	323.437	1.380	50	20	DDGD	
COc1ccnc(C(C)=NNC(=O)c2ccnc(N(C)C)c2)c1	863091799	SIXWAYPSMXOYLB-UHFFFAOYSA-N	313.361	1.705	50	20	DDGD	
COc1ccc2c(c1)C(C)(C)CC2=NNC(=O)[C@H]1CCC(=O)N1	863153189	OOPDISYVXWWSEW-CYBMUJFWSA-N	315.373	1.475	50	20	DDGD	
C[C@@H]1CN(C(=O)OC(C)(C)C)CC1=NNC(=O)c1cnccn1	863077758	VQROIGOLNWBANJ-SNVBAGLBSA-N	319.365	1.449	50	20	DDGD	
Cc1cc(=NNC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc[nH]1	862510449	HPVAPCRCFBBHHU-UHFFFAOYSA-N	313.361	1.133	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C[C@@H]2COC(=O)C2)c1	765385234	KJTUWQLTJWPVPA-JTQLQIEISA-N	307.375	1.266	50	20	DDGD	
CCCCNC(=O)NNC(=O)C(=O)Nc1c(C)cccc1C	765121690	BSKNTTYJHIEFQY-UHFFFAOYSA-N	306.366	1.372	50	20	DDGD	
COc1cccc(Cl)c1NC(=O)C(=O)NNC(=O)C(C)C	873802483	PKSAFCAVSRADCM-UHFFFAOYSA-N	313.741	1.091	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H](C)OC[C@@H]1CCCO1	772894368	WRBZXYRZEQJWDV-NEPJUHHUSA-N	308.382	1.627	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)Cn2nccc2C)cc1C	873761758	ILDALHZIJNIZJL-UHFFFAOYSA-N	317.418	1.826	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H](OC)c1cccc(OC)c1	875768568	RDLDOBVSWCBUJP-GFCCVEGCSA-N	311.338	1.295	50	20	DDGD	
CN1CCc2cc(C(=O)NNC(=O)c3ccccc3O)ccc21	779370277	BUZDHPVKHLGWCW-UHFFFAOYSA-N	311.341	1.459	50	20	DDGD	
CC[C@H](CO)C(=O)NNC(=O)c1ccc(OCCC(C)C)cc1	779724235	IAQPGTAGSJHUHU-CYBMUJFWSA-N	322.405	1.891	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)NC1CCC(C2CCC2)CC1	1118482580	OTGNIGFHYBUZPR-UHFFFAOYSA-N	322.453	1.675	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@@H](C)[C@@H]1CN(C)CCO1	771340119	GLXBABMDPLAANC-AAEUAGOBSA-N	310.373	1.479	50	20	DDGD	
CN1CCc2cc(C(=O)NNC(=O)NC3CCCCC3)ccc21	778290064	OCAZPLFSZZKQOH-UHFFFAOYSA-N	316.405	1.956	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2nccnc2C(C)C)c1	772861313	UWPZYTAPRRPZJT-UHFFFAOYSA-N	313.361	1.717	50	20	DDGD	
CCC1(O)CCC(NC(=O)NNc2cncc(Cl)n2)CC1	772590854	BIKLMQGMJFTUGM-UHFFFAOYSA-N	313.789	1.840	50	20	DDGD	
CCc1cc(C(=O)NNc2cccc(C(=O)OC)c2)nn1C	1116531001	VYTGVCFHOVVASO-UHFFFAOYSA-N	302.334	1.526	50	20	DDGD	
COCC(=O)NN=Cc1cccc(Br)c1OC	774392394	YRYCZCSKWKIYNJ-UHFFFAOYSA-N	301.140	1.554	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](c1ccccc1)c1nccn1C	875027989	LVTHVAFOWGMEEG-GFCCVEGCSA-N	317.349	1.422	50	20	DDGD	
O=C(C[C@@H]1CCOC1)NNC(=O)c1nc2ccccc2s1	874913461	MJZLXSIIPOMMPD-VIFPVBQESA-N	305.359	1.484	50	20	DDGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cc[n+]([O-])cc1	779203723	ILCDUIWXLJCSLA-UHFFFAOYSA-N	313.235	1.976	50	20	DDGD	
C[C@@H]1CCCCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C1	775729884	XGDDHZGBUZTMQP-CYBMUJFWSA-N	314.389	1.441	50	20	DDGD	
CN(C)c1cc(NC(=O)NNC(=O)CC2CCCC2)ccn1	880608281	GMEVWGKPXHZGHK-UHFFFAOYSA-N	305.382	1.881	50	20	DDGD	
CCCN(C)c1ccc(C(=O)NNC(=O)c2cccnn2)cc1	882058357	HDUZVJUGYHMWHR-UHFFFAOYSA-N	313.361	1.398	50	20	DDGD	
CC(C)Cn1ccc(C(=O)NNC(=O)c2cccc(C#N)c2)n1	888809496	FVMPUWGIZOULEF-UHFFFAOYSA-N	311.345	1.486	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NC[C@H]2C=CCC2)c1	883779299	UHQXULIVYMNLGE-LBPRGKRZSA-N	302.378	1.663	50	20	DDGD	
Cc1cc2c(cc1C)[C@H](C(=O)NNc1ncc(F)cn1)CO2	771438140	VFDKWVLOBOWTFH-GFCCVEGCSA-N	302.309	1.852	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)NC[C@@H]1C=CCC1	883416471	VTDSACDTLANLDK-LLVKDONJSA-N	307.325	1.501	50	20	DDGD	
CCC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1cccnn1	883321775	KWXWFHVECFPQFA-NEPJUHHUSA-N	305.382	1.780	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCC(=O)Nc1nnc(C2CC2)o1	786675190	GLLWVRKSVAXWQW-BJMVGYQFSA-N	302.290	1.289	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C1CCOCC1)c1c(F)cccc1F	883067702	RJXHHIHQAFLCAK-VIFPVBQESA-N	312.316	1.642	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)CC(C)(C)C#N)c1	785077633	GFLQDWQZAQGKDG-UHFFFAOYSA-N	317.345	1.239	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)Cc1c(C)n[nH]c1C	787216954	DIEDPHRWSUDYCY-UHFFFAOYSA-N	302.334	1.499	50	20	DDGD	
CN(C)[C@@H](CNS(=O)(=O)CCCCl)c1ccc(F)cc1	881801269	ATSIRTQSGIIEPE-ZDUSSCGKSA-N	322.833	1.977	50	20	DDGD	
CCC[C@@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)c1nn[nH]n1	787412548	BKBGGPJMKIDGHT-BIRHUZIMSA-N	312.333	1.470	50	20	DDGD	
O=C(NN=C1CCOc2c(F)ccc(F)c21)c1cnccn1	783823764	IRMRUXKDFUYIIQ-UHFFFAOYSA-N	304.256	1.671	50	20	DDGD	
O=C(NN=Cc1cnc(-c2ccco2)s1)C(=O)N1CCCC1	782219117	JZDLZVRJWPNHFU-UHFFFAOYSA-N	318.358	1.476	50	20	DDGD	
COc1cc(C(=O)NNC(C)=O)cc(Br)c1OC	785670496	PKANCZBEGGAQNL-UHFFFAOYSA-N	317.139	1.247	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2C)cn1	788138518	CRXLPXSYRBRKSI-UHFFFAOYSA-N	305.359	1.322	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCc1nc(C2CC2)no1	787082899	GCNVEHNOEIKQNL-GHXNOFRVSA-N	310.313	1.876	50	20	DDGD	
CO[C@@H]1CCOC[C@H]1NC(=O)NC[C@@]1(C)C[C@H]1Br	895924237	UGYIQLWIJLBLND-DNRKLUKYSA-N	321.215	1.263	50	20	DDGD	
Cc1c[nH]cc(C(=O)NNc2ncnc3ccsc23)c1=O	781430912	IMSOVOQUQXUXBV-UHFFFAOYSA-N	301.331	1.445	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](O)Cc2cccc(OC)c2)nc1	785425255	LHWYOMOFNJTIAV-CQSZACIVSA-N	317.345	1.146	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)c(C)c1	891957949	RBNFHCWJABLYKK-IUIKQTSFSA-N	315.373	1.088	50	20	DDGD	
COC1(C=NNC(=O)c2cc([N+](=O)[O-])ccc2O)CCCC1	790167737	JXALSVHCYDCBQX-UHFFFAOYSA-N	307.306	1.975	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)CC(C)(C)O)cc1	792632736	PJSAUYCKJPRPBV-UHFFFAOYSA-N	311.407	1.564	50	20	DDGD	
CC(=NNC(=O)CCc1ccccc1O)c1ccc(O)nn1	790161711	LHBYZRUNMGPUIP-UHFFFAOYSA-N	300.318	1.361	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1cccc(C(=O)N(C)C)c1	899336301	RVRALJKKGHRRMK-UVTDQMKNSA-N	302.330	1.485	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C[C@@](C)(O)c2ccccc2)n1	794081678	OJMZIXVNFOMYDR-QGZVFWFLSA-N	313.357	1.449	50	20	DDGD	
Cc1cnn(C)c1C=NNC(=O)c1cc(-c2cccs2)[nH]n1	794917897	KZFKZNPXMQGPSU-UHFFFAOYSA-N	314.374	1.944	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cc2nccnc2cc1F	792451304	OMIQQZQNBGRLNK-UHFFFAOYSA-N	318.699	1.969	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCOc3ccc(Cl)cc32)CC1	790181673	OTNCGSMNDCWALZ-UHFFFAOYSA-N	322.796	1.784	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCOC1)c1cc(C(=O)O)c(C)nc1C	792649844	BHNJHIZQBVJKTO-LLVKDONJSA-N	305.334	1.273	50	20	DDGD	
Cc1cnc(COCC(=O)NNC(=O)NC2CCCCC2)o1	794763709	JZTCNZKCSVVUJD-UHFFFAOYSA-N	310.354	1.163	50	20	DDGD	
O=C(NN=Cc1ccc(OCC2CC2)cc1)N1CCOCC1	790159201	CMOXLOQCABLSJT-UHFFFAOYSA-N	303.362	1.851	50	20	DDGD	
CC[C@H](C)C(=O)NN=Cc1ccc(OC)c(OCC(N)=O)c1	1317877154	HYNVBBIPNPQHMV-JTQLQIEISA-N	307.350	1.056	50	20	DDGD	
C[C@H](C(=O)NNC(=O)N1CCOCC1)c1ccc(F)cc1F	1323169386	PLLLCKVXBAXTII-VIFPVBQESA-N	313.304	1.141	50	20	DDGD	
CN(C)[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ccccc1O	1322740156	IBNROXZANDQKLD-STQMWFEESA-N	320.393	1.209	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2ccc(O)c(O)c2O)cc1	1248410533	JLRIMQGROMXKIL-UHFFFAOYSA-N	302.286	1.576	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1CC	1326648476	SHWCCNCJQAZXDC-NHYWBVRUSA-N	304.390	1.997	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1c[nH]cc(Cl)c1=O	1321426840	NBTPTQPQGDVLAU-UHFFFAOYSA-N	308.681	1.693	50	20	DDGD	
C[C@H]1CCc2nc(C=NNC(=O)CN3CCCC3=O)sc2C1	1324924851	FVPQFYHQCLCJEO-JTQLQIEISA-N	320.418	1.340	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H]2CC(=O)NNc1ccn(C)n1	1325386487	REWJJFUVOODLQI-JTQLQIEISA-N	302.334	1.438	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccccc1Cl)[C@H]1CCC(=O)N1	1328756214	FSKDIWRFHYYOHX-LDYMZIIASA-N	309.753	1.016	50	20	DDGD	
CS(=O)(=O)CCCCNC(=O)c1cccc(CCl)c1	692822518	SVSIKDGWXGALSG-UHFFFAOYSA-N	303.811	1.980	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=S)NCC2CCC2)c1C	1339065562	LHMOIFCDPLPWFG-UHFFFAOYSA-N	309.439	1.511	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2C[C@@H](C(C)=O)C2(C)C)cc1	1338581922	DCPUCVSGAMDJCV-UONOGXRCSA-N	318.373	1.708	50	20	DDGD	
Cc1ccc(C2=NO[C@H](C(=O)NNC(=S)NC(C)C)C2)cc1	1332378288	AWWLXGFJPJFBLS-ZDUSSCGKSA-N	320.418	1.392	50	20	DDGD	
CCS(=O)(=O)c1cccc(NC(=O)NNC(=O)C(C)C)c1	1342147027	NWSKCWIZVMERHU-UHFFFAOYSA-N	313.379	1.289	50	20	DDGD	
O=C(NNc1ncncc1F)[C@H]1CCCN(CC(F)F)C1	1261876143	AEBXDBWDXIEBEH-QMMMGPOBSA-N	303.288	1.036	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1n[nH]cc1Br	1263696738	XAQOBWWVIQDIEY-UHFFFAOYSA-N	301.144	1.123	50	20	DDGD	
O=C(NNc1ccncn1)[C@@H]1CC(=O)N(C2CCCCC2)C1	1344380332	AKBKPGDPBXWTCS-LLVKDONJSA-N	303.366	1.101	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1c(C)nc2sccn12	1343890208	KIVWFBOMLZIRNH-UHFFFAOYSA-N	302.363	1.510	50	20	DDGD	
O=C(C1CCC(Cl)CC1)N1CCN(c2nccnn2)CC1	1348887577	NBPLMZPEMSNTPS-UHFFFAOYSA-N	309.801	1.318	50	20	DDGD	
Cc1cc(O)ccc1CC(=O)NNC(=O)NC1CCCCC1	1347240088	UACQGTWHQQGQDC-UHFFFAOYSA-N	305.378	1.906	50	20	DDGD	
COC1CCC(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CC1	1343141996	IWHBRNIGPKFJOV-UHFFFAOYSA-N	320.393	1.255	50	20	DDGD	
COc1ncncc1NC(=O)NNC(=O)c1ccccc1Cl	1342420626	PAFWAEXFTDTIBV-UHFFFAOYSA-N	321.724	1.605	50	20	DDGD	
COC[C@H](C)Oc1ccc(C=NNC(=O)c2cccnn2)cc1	1353080690	OYUOQZUBMMTLJV-LBPRGKRZSA-N	314.345	1.654	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1c(C)sc(C)c1C(=O)O	1605618800	OOSLVOLXOUHVSG-UHFFFAOYSA-N	315.351	1.252	50	20	DDGD	
C[C@H](CNC(=O)NNc1cccc(-c2nn[nH]n2)c1)C1CC1	1603535039	GWEALTORTMEGOI-SECBINFHSA-N	301.354	1.539	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@H]2Cc3cc(F)ccc3O2)c1	1602447997	JQCSKEBEOQORPI-AWEZNQCLSA-N	316.288	1.971	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1C[C@@H](C(=O)O)c2ccccc21	1604341047	BMGPSCSXMNQRNL-GHMZBOCLSA-N	307.306	1.212	50	20	DDGD	
O=C(CCN1CC[C@@H](F)C1)NNc1cccc(C(=O)O)c1F	1601276114	XMDSKHQTSNAFON-SECBINFHSA-N	313.304	1.401	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2cncc(Cl)n2)cc1	1602128163	DQQNUVAVEFBIRL-UHFFFAOYSA-N	306.709	1.514	50	20	DDGD	
N#CC1(C(=O)NNc2ccc(-c3nn[nH]n3)c(Cl)c2)CCC1	1606340385	NDIMDDJOXMXTOB-UHFFFAOYSA-N	317.740	1.657	50	20	DDGD	
O=C(NNc1cccc(F)c1C(=O)O)c1cn(C2CCC2)nn1	1601560429	GBCLCYBVYYCKDS-UHFFFAOYSA-N	319.296	1.597	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1cc(F)cc([N+](=O)[O-])c1	1605820876	IZLLFQBXLBPMJB-UHFFFAOYSA-N	320.236	1.584	50	20	DDGD	
O=C(O)[C@@H]1CCN(S(=O)(=O)CCCCCl)[C@H]2CCC[C@H]21	1608634744	GAOJKXNZIARXSS-TUAOUCFPSA-N	323.842	1.910	50	20	DDGD	
CO[C@H](C(=O)NNc1cccc(C(=O)O)c1C)c1cnn(C)c1	1606651608	UNJGKMAHKDAYAQ-ZDUSSCGKSA-N	318.333	1.258	50	20	DDGD	
C/C(=C/C(=O)NNc1ccccc1C(=O)O)CN1CCOCC1	1602954155	CBMQSUYCXZTVKB-BENRWUELSA-N	319.361	1.106	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2ccc(C(=O)O)o2)cc1	1610343707	HXELSFCVCKDOGJ-UHFFFAOYSA-N	318.285	1.516	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)[C@H]1COc2ccccc2O1	1610852053	BYAQHPBMZXDHDP-CQSZACIVSA-N	314.297	1.668	50	20	DDGD	
CC(C)c1cnc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)s1	1549320333	LWYRZCKHBKYIFC-NWDGAFQWSA-N	322.434	1.580	50	20	DDGD	
COc1cccc(NNC(=O)Nc2cccc(C(=O)O)c2)n1	1610356862	MTHOUHATFSPYNW-UHFFFAOYSA-N	302.290	1.937	50	20	DDGD	
CC(COC(C)C)=NNC(=O)[C@H]1CCCO[C@@H]1c1ccnn1C	1549321080	ROJPWMAIUGWYNB-ZFWWWQNUSA-N	322.409	1.805	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C=NNC(=O)[C@@H]1CCOC1	1552455419	XLCHIGHPBVEYAI-YRGRVCCFSA-N	306.366	1.026	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)CNC(C)C)c1C	1579771796	JTRCMWUFZBLKOV-CYBMUJFWSA-N	307.394	1.216	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@@H]2CCC[C@@H](N)C2)cc1	1579735375	JMSPUHUBDYFVHW-CHWSQXEVSA-N	321.446	1.752	50	20	DDGD	
CO[C@H]1CN[C@H](C(=O)NNc2ccc(C(F)(F)F)cc2)C1	1574005936	AYLGUXGLLYSVIL-MNOVXSKESA-N	303.284	1.525	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C[C@H](N)C2CC2)c(C)c1	1579723441	AOYKDGVFENZOSB-LBPRGKRZSA-N	306.435	1.748	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NC[C@@H]1CCC2(CNC2)O1	1579708570	ZYDKADRAPDTLSD-LBPRGKRZSA-N	308.357	1.281	50	20	DDGD	
CC(C)(N)CC(=O)NNC(=O)CSc1ccc(Cl)cc1	1573483425	KZJYSFBYHZQRNK-UHFFFAOYSA-N	315.826	1.707	50	20	DDGD	
NC[C@H]1C[C@H](NC(=O)[C@]2(c3ccccc3)C[C@H]2Br)C1	1580332563	HZEWSUAOLPVEOK-OPQSFPLASA-N	323.234	1.945	50	20	DDGD	
CC(C)[C@H](C(=O)O)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	1588807373	BHJFWPCGHZSYOK-JTQLQIEISA-N	315.276	1.474	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)C1(C)COC1)C2	1845162600	CXBBJCAIZFVZFD-NSHDSACASA-N	314.813	1.244	50	20	DDGD	
C[C@H](C(=O)O)C(=O)NNC(=S)Nc1cccc(Cl)c1	1588574003	RUNIPGKAJZMNRK-LURJTMIESA-N	301.755	1.378	50	20	DDGD	
COc1cc(C=NNC(=O)C(=O)O)ccc1OCC(F)(F)F	1599401098	WOKKEZPBMITMKU-UHFFFAOYSA-N	320.223	1.171	50	20	DDGD	
Cc1ccc(NNC(=O)CNc2ccc(-c3nn[nH]n3)cc2)cc1	1592184790	GLPJOSGPGPNJOB-UHFFFAOYSA-N	323.360	1.730	50	20	DDGD	
CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)NNC(=O)C(=O)O	1591094587	MXIQJUDQDKLXHH-DGCLKSJQSA-N	319.361	1.361	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1ccc(C(=O)O)cc1[N+](=O)[O-]	1776946163	NAOYAXAHFWYPDL-YHYXMXQVSA-N	310.287	1.592	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NN=Cc1n[nH]c2cc(C(=O)O)ccc12	1776102024	FCIJNMJBRKEMFE-MFKMUULPSA-N	316.317	1.136	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1cccc(CC(=O)O)c1	1776129268	BHOMVOAUICLLHF-NTEUORMPSA-N	302.330	1.373	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2cccc(F)n2)c1	161035528	FZMJUZGLEGHZPT-UHFFFAOYSA-N	302.309	1.362	50	20	DDGD	
CC(=O)NNC(=O)Nc1cccc(C(=O)N2CCCCC2)c1	162014503	FPHKITUUNVYCJO-UHFFFAOYSA-N	304.350	1.485	50	20	DDGD	
COCc1cccc(C(=O)NNc2ncccc2[N+](=O)[O-])c1	153514385	LPDCFJVYCUTSOI-UHFFFAOYSA-N	302.290	1.893	50	20	DDGD	
Cn1c(=O)n(CC(=O)NNc2ccc(C#N)cc2)c2ccccc21	155121398	GEEGLWJWILFPSC-UHFFFAOYSA-N	321.340	1.355	50	20	DDGD	
CC(C)=CC(=O)NNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1	154317430	KCNMIMCJUXUXLJ-UHFFFAOYSA-N	302.309	1.943	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c(O)c1	154512323	CDZVUJZYKQQJBV-OAHLLOKOSA-N	312.325	1.465	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C2=NN(CC(C)C)C(=O)CC2)n1	156782131	LUCWLESRRVAXDC-UHFFFAOYSA-N	318.381	1.171	50	20	DDGD	
CC[C@@H](C(=O)OC)C(=O)N(C)NC(=O)OCc1ccccc1	862290315	UNRXIJVKRLXHCT-GFCCVEGCSA-N	308.334	1.485	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)CCl	867604119	FPRVZQGJINYIEQ-BDAKNGLRSA-N	312.819	1.500	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1ccc(Br)cc1	6401794	QWRMXGLKYCSKJB-UHFFFAOYSA-N	320.146	1.919	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1nc(C2CC2)cs1	171725229	CKKHNXRQIZSIQQ-UHFFFAOYSA-N	317.374	1.811	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(C#N)c1)[C@H](C)N1CCOCC1	105300266	XTLAHYFHEUXVIX-STQMWFEESA-N	317.393	1.294	50	20	DDGD	
C/C=C/C=C/C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1	106359962	WTUIIZGXSCSVJW-MQQKCMAXSA-N	321.402	1.703	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCCCC(N)=O)cc1	57212936	YMGBRRLOOIERGR-JLHYYAGUSA-N	301.346	1.374	50	20	DDGD	
O=C(CN1CCC[C@H]1CC1CCCCC1)NNC(=O)C1CC1	112978118	OGCVYFWFHYRVLZ-HNNXBMFYSA-N	307.438	1.979	50	20	DDGD	
COCc1cc(C(=O)NNc2cccc(C(F)(F)F)n2)no1	174308509	CYEHGOKXALQITC-UHFFFAOYSA-N	316.239	1.992	50	20	DDGD	
CN1CC[C@H](NC(=O)NNc2ccc(Cl)c(F)c2)C1=O	175553029	MWCHRIZEDMJTQE-JTQLQIEISA-N	300.721	1.336	50	20	DDGD	
CC1(C)CCC(CNC(=O)NNC(=O)C(=O)N2CCCC2)CC1	179600166	IDBBQLCFGPZRFN-UHFFFAOYSA-N	324.425	1.156	50	20	DDGD	
CCc1n[nH]c(=O)c(C(=O)NNc2cccnc2Cl)c1CC	129767892	WBNOIJQRQVFHQJ-UHFFFAOYSA-N	321.768	1.700	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)CCc2ccc(O)cc2)n1	121678396	VUOYPBBHRXHXGE-UHFFFAOYSA-N	307.741	1.494	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cc(Cl)ccc2O)n1	71798425	SYGHGJKINXPFHO-UHFFFAOYSA-N	322.752	1.320	50	20	DDGD	
CNC(=O)NNC(=O)[C@H](C)Sc1nc2ccccc2s1	126408150	GLNGFTYBWPXXQD-ZETCQYMHSA-N	310.404	1.737	50	20	DDGD	
CS[C@@H](C)C(=O)NNC(=O)c1ccc(Br)cc1	32477648	KGCYDWZFCKOYRC-ZETCQYMHSA-N	317.208	1.962	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)CCCOC(C)C	184067139	CZFIYKAXWXWDNP-UHFFFAOYSA-N	318.377	1.609	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cc(-c2cccs2)n[nH]1	122530880	MZZDIDGSEVAHHE-UHFFFAOYSA-N	304.310	1.824	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccc(-n2cccn2)n1	76585288	UIULWHBOSHHDMW-UHFFFAOYSA-N	302.338	1.011	50	20	DDGD	
C[C@H](C(=O)NNc1ncc(F)cn1)N1CCc2ccccc2C1	122467527	JQYPUKKWKIDLEI-LLVKDONJSA-N	315.352	1.506	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2ccc(F)c(F)c2)nc1	124305647	HQEOVSAVSHAIKW-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NNC(=O)CN(C)C	75653334	DAVHDXVXYZWORP-JTQLQIEISA-N	313.785	1.125	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)CCc2ccco2)c1	181119523	NRYHBXWFQCOVET-UHFFFAOYSA-N	308.359	1.759	50	20	DDGD	
COc1c(F)cc(NC(=O)NNC(=O)c2cccn2C)cc1F	184511093	QLCMYEOKCKWVJZ-UHFFFAOYSA-N	324.287	1.778	50	20	DDGD	
O=C(CCCc1nnc(-c2ccccc2)o1)NNC(=O)C1CC1	32484985	IPQMJVXJSAZNPR-UHFFFAOYSA-N	314.345	1.617	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NNc1nnc(-c2ccccn2)s1	188215153	PXRRFMNGBJVDMD-WPRPVWTQSA-N	305.363	1.468	50	20	DDGD	
COC(=O)CCCC(=O)NNC(=O)c1ccc(Cl)cc1F	131338359	ZVCWDRYUCPUFBO-UHFFFAOYSA-N	316.716	1.583	50	20	DDGD	
CN(NC(=O)c1cn(C)nc1-c1ccccc1Cl)C(N)=O	181070789	PLJNDHATFPTQNG-UHFFFAOYSA-N	307.741	1.396	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)NNc2ccccn2)C1	181189289	LGZOSVASBFFHIR-OAHLLOKOSA-N	324.356	1.874	50	20	DDGD	
CC[C@H]1C[C@@H](C(=O)NNC(=O)c2ccc(C#N)cc2)CCO1	183647833	MJTUODRDFFHXIC-KBPBESRZSA-N	301.346	1.524	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2cc(C#N)ccc2C)o1	84461249	DSMWNELRFAVHFH-UHFFFAOYSA-N	319.342	1.391	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccc([N+](=O)[O-])cc1O	191906676	CKOFMKDUDAWKGG-UHFFFAOYSA-N	314.261	1.100	50	20	DDGD	
CC(=O)N1CC(C(=O)NNc2cccc(C(F)(F)F)c2)C1	191930398	UMCSOCHIEYMWFZ-UHFFFAOYSA-N	301.268	1.627	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)nc1)c1ccc(Cl)nc1	48825069	NFIMYZLTDLQASO-UHFFFAOYSA-N	311.128	1.858	50	20	DDGD	
O=C(Cc1ccc(O)cc1)NNC(=O)c1cccc([N+](=O)[O-])c1	96968098	LGSIVVNSFIREEU-UHFFFAOYSA-N	315.285	1.304	50	20	DDGD	
CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NNC(=O)C(C)C	96965333	UISYSUOMZQQTCR-OAHLLOKOSA-N	317.389	1.326	50	20	DDGD	
COc1ccc(-c2cc(C(=O)NNC(=O)C3CC3)[nH]n2)cc1	98077935	WCZGSUGQVHAGTG-UHFFFAOYSA-N	300.318	1.256	50	20	DDGD	
O=C(/C=C\c1cccnc1)NNC(=O)COCc1ccccc1	255072483	ALUYULXJZXFNGY-HJWRWDBZSA-N	311.341	1.459	50	20	DDGD	
O=C(NC[C@H]1CCCOC1)NNc1ncnc2ccsc12	268867671	TXESFJZLQLOVGM-SECBINFHSA-N	307.379	1.744	50	20	DDGD	
COC(=O)c1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)[nH]1	267602330	POIBARJWNWAVTP-OFFHKIPUSA-N	303.318	1.003	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNc1nc(-c2cccnc2)no1	263967815	SXQRAMKYRYABPM-JTQLQIEISA-N	303.322	1.556	50	20	DDGD	
CCCCCCCC(=O)NNc1nc(O)c2cnn(C)c2n1	269321277	SAMJZLOJYHIOPR-UHFFFAOYSA-N	306.370	1.873	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCC2CCSCC2)n1	266926336	DJUBRUUGPNLCQB-UHFFFAOYSA-N	311.411	1.563	50	20	DDGD	
O=C(NCC[S@](=O)Cc1ccccc1)NNC(=O)C1CCC1	265289163	KACQWMBVAGWAJJ-QFIPXVFZSA-N	323.418	1.066	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)NC2CCC2)cc1	265785957	LGQTUIWEYMFPEN-LLVKDONJSA-N	321.377	1.736	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccc(Cl)nc1)N(CC)CC	266876933	ZHRCSLSKRBZYMJ-LLVKDONJSA-N	312.801	1.616	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1	369737115	RKHJOPSLAOEQGH-RKDXNWHRSA-N	324.793	1.618	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC2CCCCC2)c(O)c1O	272681697	SNECDSIYUUWKTC-UHFFFAOYSA-N	307.350	1.683	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNc1ncnc2ccsc12	270734058	ZABSYJNDVSNJMZ-UHFFFAOYSA-N	308.363	1.724	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCC(=O)N1CCCCC1	276722880	SYELTTBNHWBTCQ-UHFFFAOYSA-N	305.382	1.419	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(C(=O)OC)ccc1F	274465426	XLYZGTWBZAXFPZ-UHFFFAOYSA-N	312.301	1.310	50	20	DDGD	
Cc1cc(C)cc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)c1	274317886	WQEDTBPBDVWTRU-UHFFFAOYSA-N	307.350	1.798	50	20	DDGD	
COc1ccnc(NNC(=O)C2(c3cccnc3)CCCC2)n1	366020136	ZTHFXMLDKSTXBJ-UHFFFAOYSA-N	313.361	1.835	50	20	DDGD	
COC1(C(=O)NNC(=O)NCc2ccc(Cl)cc2)CCC1	276249001	UWXRDDQMBKPTKZ-UHFFFAOYSA-N	311.769	1.740	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNc2nc(-c3cccnc3)no2)CCO1	271902990	WZQDBUMVOVCAHE-ZJUUUORDSA-N	303.322	1.390	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CSC[C@H]2CCCCO2)n1	279795822	LDYIUPLHGBUBIK-GFCCVEGCSA-N	323.418	1.453	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)/C=C/c1ccco1	273239109	MVEMAUKQXXSWQP-JARNTUPDSA-N	323.349	1.353	50	20	DDGD	
NC(=O)[C@H]1CC[C@@H](C(=O)NNc2c(Cl)cccc2Cl)O1	279918478	NMPFYAUDHOCZCW-BDAKNGLRSA-N	318.160	1.469	50	20	DDGD	
CN(C)c1ccc(/C=C(\C#N)S(=O)(=O)NC2CC2)cc1F	279967098	CTUZZWRYUQWZCE-KPKJPENVSA-N	309.366	1.838	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NCC(F)F	278259161	WUPUESLJHDWAPA-ZETCQYMHSA-N	321.711	1.703	50	20	DDGD	
CC[C@@H]1CN(C(=O)NNC(=O)c2cccc(C)n2)C[C@@H](C)O1	279580394	BMCLERXPLGPFGZ-VXGBXAGGSA-N	306.366	1.244	50	20	DDGD	
COCc1ccccc1C(=O)NNC(=S)NCCSC	271442181	PYFHSXTVCUMFMU-UHFFFAOYSA-N	313.448	1.305	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)C(=O)N(C)CC2	273374602	BDIAVXYZCKDYCG-JTQLQIEISA-N	318.377	1.514	50	20	DDGD	
CC(C)n1ccc(NC(=O)NNC(=O)Cc2cccnc2)n1	280863106	YFPKPGSNLTWOBC-UHFFFAOYSA-N	302.338	1.254	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)COc2ccc(C)cc2)CC1	283131872	ZJDCPYNICNSXQQ-UHFFFAOYSA-N	306.362	1.338	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccnc(NC(=O)C2CC2)c1	286431575	HGKHZIREWHBMBY-UHFFFAOYSA-N	318.377	1.627	50	20	DDGD	
C#CCN1CCC(C(=O)NNc2ccc([N+](=O)[O-])cc2C)CC1	288538465	DGTDIWCWISTWPV-UHFFFAOYSA-N	316.361	1.692	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1	280290961	MQNVFEBEDXCMKT-UHFFFAOYSA-N	320.349	1.230	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)c1ccc2ccccc2n1)C1CC1	290910156	GEXYHYITXAXFHT-KRWDZBQOSA-N	313.357	1.811	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CC[C@@H](n2cccn2)C1	292021515	YJWBOIHWAFMABG-CYBMUJFWSA-N	313.361	1.493	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cccc2cnccc12	802029008	INEXPZOYIJYYEQ-UHFFFAOYSA-N	307.313	1.518	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc(C)nc3[nH]nc(C)c23)n1	299601398	FHCXDDZWKPCKBM-UHFFFAOYSA-N	311.349	1.738	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H](C)OCCc1ccccc1	294610656	DLHCXGHLRVAJAR-CYBMUJFWSA-N	323.393	1.001	50	20	DDGD	
CC(C)(C)OCc1cc(C(=O)NNc2ncncc2F)no1	294472031	IRDHLDPRXRHRFT-UHFFFAOYSA-N	309.301	1.676	50	20	DDGD	
CCn1cc([C@H](C)NC(=O)NNC(=O)c2ccccc2)cn1	297383877	GPBJIUDODVVQMS-NSHDSACASA-N	301.350	1.608	50	20	DDGD	
Cc1cnc(COCC(=O)NNc2cc(C#N)cc(Cl)n2)o1	802971896	XWJAYMPLTJYTGY-UHFFFAOYSA-N	321.724	1.563	50	20	DDGD	
C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NNc1ccccc1Cl	291892986	RJMFVVNWIJOHFA-GZMMTYOYSA-N	317.798	1.399	50	20	DDGD	
N#Cc1cccc(OCCCCC(=O)NNc2nnc[nH]2)c1	294021322	UXRQXBLTPVEMLL-UHFFFAOYSA-N	300.322	1.369	50	20	DDGD	
CN(C)C(=O)c1ccc(C(=O)NNc2ncccc2F)cc1	804219038	QCZNTRXLKGLDRN-UHFFFAOYSA-N	302.309	1.679	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNc2ncccc2F)cc1	807301572	JZEQAPARFHTKSO-UHFFFAOYSA-N	318.308	1.701	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(CN2CCCC2)cc1	294738451	UTAWSWQFHXGYKK-HNNXBMFYSA-N	317.389	1.222	50	20	DDGD	
CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)CC2CC2)cc1	294012633	BNJIPSFAVQIQOX-UHFFFAOYSA-N	303.362	1.842	50	20	DDGD	
CO[C@H](C)c1nsc(NC(=O)NNC(=O)c2ccncc2)n1	809924073	GVOHIRYYHGTDCA-SSDOTTSWSA-N	322.350	1.107	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)CCCCCC#N)C[C@@H](C)O1	806339406	FHIUVCPIHFKHQE-OKILXGFUSA-N	324.425	1.107	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2cc3n(n2)CCCC3)c1	807004442	OBITUPNAFXAWDD-UHFFFAOYSA-N	314.349	1.005	50	20	DDGD	
Cc1ccc(C=NNC(=O)c2cnn(C)c2)c(-c2cnn(C)c2)c1	802710665	BALOHZDDCWCVGG-UHFFFAOYSA-N	322.372	1.893	50	20	DDGD	
COc1cncc(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)n1	802001910	ZPYVRAIQNWFKLF-UHFFFAOYSA-N	323.259	1.230	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)N=c2cc[nH]cc2)c(C(C)C)n1	802023959	BFKNOHMQJHJQHW-UHFFFAOYSA-N	314.349	1.192	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2ccncn2)c(Cl)c1	802051475	ZOOSJIMEEOWLJR-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
O=C(NCCOc1ncccc1F)NNc1ncccc1F	805222634	IYJSTTHPQYGKHZ-UHFFFAOYSA-N	309.276	1.460	50	20	DDGD	
CO[C@@](C)(C(=O)NNc1nc(-c2cccnc2)no1)C1CC1	291801222	YTKJHCLSROPMCH-CQSZACIVSA-N	303.322	1.390	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2nccnc2C2CCC2)on1	805464240	VTRDNXABRGWKDR-UHFFFAOYSA-N	317.305	1.276	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCO[C@@H](CC)C1	807369083	QKSXOTJTXALICX-NEPJUHHUSA-N	316.398	1.128	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1CCO[C@@H](C(F)(F)F)C1	814757866	UKNPPSANIGOXAZ-LLVKDONJSA-N	309.332	1.932	50	20	DDGD	
COc1ccccc1-c1nn(C)cc1C(=O)NN(C)C1CC1	819646568	BXRPAOSWDMLDKQ-UHFFFAOYSA-N	300.362	1.835	50	20	DDGD	
CC(C)[C@@H]1CC(=NNC(=O)[C@H]2CCS(=O)(=O)C2)CS1	814782177	SAWDMIHQCOLNLF-ONGXEEELSA-N	304.437	1.055	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1ccc2[nH]ccc2c1	811639827	HSCBDMCZIRWRGL-UHFFFAOYSA-N	310.313	1.641	50	20	DDGD	
Cc1ccc(F)c2c1NC(=O)C2=NNC(=O)N=c1cc[nH]cc1	815000403	KTBFWIYCUZJSIN-UHFFFAOYSA-N	313.292	1.429	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)N=c2cc[nH]cc2)[C@H](n2cncn2)C1	815000467	KFVRGGWTIMWRNM-BXUZGUMPSA-N	313.365	1.634	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)c(C)c1)c1csnn1	814768990	RGHDVSBOUHKAAK-UHFFFAOYSA-N	317.374	1.634	50	20	DDGD	
CN(NC(=O)NC[C@H]1CC[C@H](C(N)=O)CC1)c1ccccc1	817176985	OSIPQDNLLNKOAG-JOCQHMNTSA-N	304.394	1.629	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=C1CCN(CCO)CC1	819806865	ZVHBLDSQGAMGLL-UHFFFAOYSA-N	319.405	1.188	50	20	DDGD	
C#CCCCCC(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	812732568	LPAKNLQXFJRKML-UHFFFAOYSA-N	323.418	1.574	50	20	DDGD	
O=C(NCC[C@]1(O)C[C@H]2CC[C@H]1C2)NNC(=O)c1ccccc1	813784751	QLINZDIJIHTXFU-JDFRZJQESA-N	317.389	1.572	50	20	DDGD	
N#CSCCCNC(=O)c1cccnc1N1CCOCC1	816539130	SMIDWOFEHUBBSX-UHFFFAOYSA-N	306.391	1.252	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccc(N2CCCCCC2)nc1	816771321	IGGJMACQHMSMCU-UHFFFAOYSA-N	315.381	1.347	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(c2ccnc(F)c2)CC1	491080299	CUVGXBFUTPGRIU-QXMHVHEDSA-N	304.325	1.313	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc2c(c1)OC(F)(F)O2	822371565	FVHCLAKWBQECGQ-UHFFFAOYSA-N	300.261	1.815	50	20	DDGD	
CCn1ccnc1[C@H]1CCCCN1CC(=O)NNC(=O)C(C)C	829397325	GOOKASJCWFASSF-CYBMUJFWSA-N	321.425	1.233	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)CC(=O)NC)cc1	491048944	MAWSFXYGMUBUSJ-HLVNSREUSA-N	315.373	1.633	50	20	DDGD	
CCC[C@H](CC(C)C)C(=O)NNC(=O)CNC(=O)c1ccco1	825581554	KJHKFFNZJSFJQL-GFCCVEGCSA-N	323.393	1.619	50	20	DDGD	
CCOCC1(C(=O)NNc2cccc(F)c2C(=O)OC)CC1	822732100	SEIIEDNTVVOACQ-UHFFFAOYSA-N	310.325	1.872	50	20	DDGD	
CCOC(=O)NNC(=O)CCCOc1ccc(C#N)cc1OC	490576023	IKFBTYSFZXBGCQ-UHFFFAOYSA-N	321.333	1.503	50	20	DDGD	
CSc1nc(C2CC2)nc(C)c1C(=O)NN(C)[C@H](C)CO	823977081	NWBJHMBJRLWAAB-MRVPVSSYSA-N	310.423	1.342	50	20	DDGD	
COC[C@H](C)NC(=O)NNC(=O)c1c(Cl)cccc1Cl	727939517	PRAZBBPYEAQJOG-ZETCQYMHSA-N	320.176	1.972	50	20	DDGD	
COc1cc(NNC(=O)NCCOCCF)ccc1Cl	824321915	VOPQPZFKKKKYTJ-UHFFFAOYSA-N	305.737	1.961	50	20	DDGD	
CCN(CCO)NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2	823838937	YYNHRRKKOKLZCG-UHFFFAOYSA-N	307.394	1.437	50	20	DDGD	
CO[C@@H](C)CC(=O)NNC(=S)NCCc1cccs1	820168764	IBUKYMDSAHVDOV-VIFPVBQESA-N	301.437	1.211	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(OC)c(OC)c(OC)c1	494658121	DVUHRQVMOCEXIW-UHFFFAOYSA-N	313.310	1.495	50	20	DDGD	
C[C@H]1CCCC[C@@H]1NC(=S)NNC(=O)N=c1cc[nH]cc1	726872106	UZJFACIWWUUWMJ-JQWIXIFHSA-N	307.423	1.583	50	20	DDGD	
CCN(CCO)NC(=O)c1ccnc(N2CCC[C@@H](C)C2)c1	823889164	KRHISYGYONSBFX-CYBMUJFWSA-N	306.410	1.277	50	20	DDGD	
CC(=NNC(=O)c1cc(C)[nH]n1)c1ccc(-c2nn[nH]n2)s1	823948709	USYAOMZOVDJWSY-UHFFFAOYSA-N	316.350	1.114	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCOC[C@@]12CCOC2	490972598	KNWTVRKGRLVLTI-ZGUWOUCSSA-N	314.341	1.317	50	20	DDGD	
CO[C@@H](C)CNC(=O)NNC(=O)c1ccc(Cl)cc1Cl	821469425	KUBMBUOKJAMQAQ-ZETCQYMHSA-N	320.176	1.972	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)Nc2ccc(N(C)C)cc2)CO1	827612457	LYDRBCAECWWTMU-ZYHUDNBSSA-N	321.381	1.266	50	20	DDGD	
CCOC(=O)NNC(=O)CCc1cccc(OC(F)F)c1	496485970	KQHZSTVGHFIKLH-UHFFFAOYSA-N	302.277	1.998	50	20	DDGD	
Cc1ccccc1[C@@H]([C@@H](C)NCc1ccc(B(O)O)o1)N(C)C	585036188	CCCBDCDWBOJDCR-CXAGYDPISA-N	316.210	1.049	50	20	DDGD	
CO[C@H](C)CNC(=O)NNc1cccc(Br)n1	821710707	WMFYQGOBWHWYFC-SSDOTTSWSA-N	303.160	1.505	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1cccc([N+](=O)[O-])c1)C(F)(F)F	733659297	CMKXNPYGLVMILJ-VIFPVBQESA-N	322.243	1.798	50	20	DDGD	
CCc1ccc(C=NNC(=O)Cc2cc(O)nc(S)n2)s1	731152101	WEOWSEPLRHTPSI-UHFFFAOYSA-N	322.415	1.788	50	20	DDGD	
CN1CCO[C@H](C(=O)NNc2ccc(C(C)(C)C)cc2)C1=O	907271300	RVMNXNHOKUDLOT-CYBMUJFWSA-N	305.378	1.284	50	20	DDGD	
COCCN(C)NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C	496811073	SNUDRVDAXXDMNP-LLVKDONJSA-N	303.403	1.145	50	20	DDGD	
C[C@@H]1CCC[C@@H](N2CCC(=NNC(=O)c3ncon3)CC2)C1	901290101	OKVQVYLPDPYSGU-DGCLKSJQSA-N	305.382	1.830	50	20	DDGD	
C[C@@]1(C(=O)NNc2ncc(F)cc2F)C[C@H]1Br	909546577	MWOZOEIMFKVIOK-GMSGAONNSA-N	306.110	1.976	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2(C#N)CC(C)C2)c1F	837061024	UFNHCSSEOQZLNK-UHFFFAOYSA-N	305.309	1.995	50	20	DDGD	
CCC(=O)NN=C1CCOC[C@H]1[C@H](C)NC(=O)OC(C)(C)C	495367058	MMADNGMDUAXSDA-QWRGUYRKSA-N	313.398	1.818	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cnc1Cl	831546298	SVNKHCRFTBAJJM-SCZZXKLOSA-N	312.757	1.621	50	20	DDGD	
COCC[C@H](NCc1ccc(B(O)O)o1)c1ccc(Cl)cc1	585027951	BOFFNCMESCHTKH-AWEZNQCLSA-N	323.585	1.480	50	20	DDGD	
CO[C@@H](COc1ccc(B(O)O)cc1)Cc1ccc(F)cc1	584909505	FHQWAMNRVGYDNZ-MRXNPFEDSA-N	304.126	1.142	50	20	DDGD	
C[C@]12CN(C(=O)c3ccc(B(O)O)c(F)c3)C[C@H]1[C@@H]1CC[C@H]2C1	584999838	MHUKROBVCSLYLA-FIHUPRISSA-N	317.169	1.014	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCOc3ccc(F)cc32)c(F)c1	585037196	UMUVTQWDHJNULY-HNNXBMFYSA-N	319.116	1.258	50	20	DDGD	
CCn1nc(C)c(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1C	831605567	GJQQMAMGQKOLKJ-QWRGUYRKSA-N	309.370	1.098	50	20	DDGD	
C[C@@H]1CCC[C@](CNC(=O)NNC(=O)C2CCC2)(N(C)C)C1	732450018	MZFULSSSMKZSDJ-WBMJQRKESA-N	310.442	1.627	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccccc1N(C)C	831184754	UQHPHCGOMNPVCY-GHMZBOCLSA-N	306.366	1.330	50	20	DDGD	
CN(CC(=O)NNc1ccc(C(=O)O)cn1)c1ccccc1	833691816	IYPATCSRVAINJK-UHFFFAOYSA-N	300.318	1.359	50	20	DDGD	
C[C@@H](N)C[C@@H](C)NC(=O)NNC(=O)c1cccc2cccnc12	831203786	ZSKATLKHMKUDBE-GHMZBOCLSA-N	315.377	1.305	50	20	DDGD	
CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1	585002596	ZWUXTPIAKFFJOQ-RISCZKNCSA-N	307.174	1.450	50	20	DDGD	
CC(C)n1ncc2cc(COc3ccc(B(O)O)cc3)cnc21	584909108	DSCOZWALETYECX-UHFFFAOYSA-N	311.150	1.271	50	20	DDGD	
C[C@H](Cc1ccsc1)N(C)C(=O)c1cc(B(O)O)ccc1F	584957266	NPJFMVDUBXWAKO-SNVBAGLBSA-N	321.182	1.270	50	20	DDGD	
CCC[C@H](CC(C)C)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	839226293	UCJVCTHVBMHLKL-ZIAGYGMSSA-N	318.483	1.941	50	20	DDGD	
O=C(CN1CCOC[C@H]1C1CCC1)NNC(=O)c1cccs1	830229720	FBOMDTLQXXBJQB-LBPRGKRZSA-N	323.418	1.010	50	20	DDGD	
COc1ccc(NNC(=O)NCc2nn(C)cc2Cl)nc1	836582622	IYADJXIUUVJKTE-UHFFFAOYSA-N	310.745	1.303	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1C1CCCC1)[C@@H]1CCCCO1	833246703	PVRQWKMBWPDZCS-KGLIPLIRSA-N	309.410	1.110	50	20	DDGD	
COc1cc(CO)ccc1C(=O)NNC(=O)OCC(F)(F)F	912596932	KETDUGCIEHRRIS-UHFFFAOYSA-N	322.239	1.121	50	20	DDGD	
CC(C)[C@]1(C)C[C@H]1NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	838764368	AUFGDMBYHDRQRR-DOMZBBRYSA-N	320.349	1.973	50	20	DDGD	
COc1ccc(OCC(=O)NN=C2C[C@@H](C)n3ccnc32)cc1	834922994	SZDWOEHQCCXLNW-LLVKDONJSA-N	314.345	1.756	50	20	DDGD	
C=C(CBr)CN1CCC[C@@H](NC(=O)N(C)C)C1	832550102	JNLONBXBNHAEPX-LLVKDONJSA-N	304.232	1.673	50	20	DDGD	
CO[C@@H](C=NNC(=O)CCc1ccccc1O)C1CCOCC1	834955417	MDNCANRYZQWMTO-INIZCTEOSA-N	320.389	1.868	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@@H]2CC2(Cl)Cl)n1	746744237	RGTVPCIKJSEHQP-ZETCQYMHSA-N	320.180	1.614	50	20	DDGD	
CC1(C)C(C(=O)OCC(=O)NNC(=O)c2ccccc2)C1(C)C	746082439	OEUVIRSWOVIFPQ-UHFFFAOYSA-N	318.373	1.673	50	20	DDGD	
CC(=NNC(=O)Cn1nc(C)cc1C)c1cccc([N+](=O)[O-])c1	916343124	LAXQYVPROHGTIK-UHFFFAOYSA-N	315.333	1.949	50	20	DDGD	
C[C@H](C(=O)NNc1ncccc1C(F)(F)F)n1cncn1	740098494	YKUHUKXALHUTNR-SSDOTTSWSA-N	300.244	1.396	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ncccn1)c1ccc(OC)cc1	841350133	FZBISFGMRHCNKY-ZDUSSCGKSA-N	314.345	1.440	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1	746886027	HKFJFVXTCPNWOH-OAHLLOKOSA-N	312.325	1.920	50	20	DDGD	
COc1ccc(C(=O)NNc2ncnc3[nH]cnc23)c(F)c1	743471054	PAMAGVODCYOUMK-UHFFFAOYSA-N	302.269	1.258	50	20	DDGD	
CCOC(=O)c1ccc(C=NNC(=O)c2ccc(O)cc2)o1	748247285	SYYDLQYXWQRRBL-UHFFFAOYSA-N	302.286	1.926	50	20	DDGD	
CCC(=O)NN=Cc1cc(C)n(CCN2CCOCC2)c1C	915938148	ZMEAQFZBBRMQSP-UHFFFAOYSA-N	306.410	1.297	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)c(C)[nH]1	914749324	NQMQOFOWZQWPEV-NSHDSACASA-N	319.336	1.999	50	20	DDGD	
COc1ccc(-c2cncc(C(=O)NN(C)C[C@H](C)O)c2)cc1	910166199	OKAUJOXOSNRIMD-LBPRGKRZSA-N	315.373	1.715	50	20	DDGD	
COc1ccccc1CC(=O)NN=C[C@H](OC)[C@H]1CCOC1	841621014	QHDFZUONIQCHFI-ZFWWWQNUSA-N	306.362	1.391	50	20	DDGD	
Cc1cc(=NNC(=O)CCCN2CCN(C(C)C)CC2)cc[nH]1	912983268	YMXANAUSRHZEKH-UHFFFAOYSA-N	319.453	1.061	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NNC(=O)CCCN	841140362	SQMMTPNZSDNEJG-UHFFFAOYSA-N	309.326	1.103	50	20	DDGD	
O=C(Cc1ccncc1)NN=Cc1ccc(C(=O)NC2CC2)cc1	747641501	CRUSRRNPFPCVHZ-UHFFFAOYSA-N	322.368	1.667	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@H](C)[C@@H]2CCOC2)cc1	845009246	CKCMVPBDACCWQL-DGCLKSJQSA-N	321.377	1.453	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc(S(=O)(=O)C2CCC2)cc1	841375059	FAODVXWUVFCTDQ-UHFFFAOYSA-N	324.402	1.430	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc(OCC2CC2)cc1	919839226	CXBZSWJFSOUNDF-UHFFFAOYSA-N	313.357	1.889	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1C[C@H]1c1cccc(O)c1	843964721	GTWJQZNCVSQKKI-GSVCSZOMSA-N	304.346	1.068	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=Cc2ccccc2[N+](=O)[O-])cc1	916300169	QHXKNUMOZDQZGI-UHFFFAOYSA-N	324.296	1.996	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NN=Cc2ncnn2C)cc1	842520938	VXHAPQQQZZUHNR-LLVKDONJSA-N	317.349	1.131	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@H](C)CC(=O)OC)cc1	846374896	VSWUXNYHBNWVNF-SNVBAGLBSA-N	308.334	1.044	50	20	DDGD	
CS[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)[C@H]1CCCCO1	845333627	MENBTLNYZUUWNR-IJLUTSLNSA-N	315.439	1.560	50	20	DDGD	
CC(C)COCCC(=O)NNC(=O)c1ccc2c(c1)OCCO2	915281445	JMHKHGLCILWXAZ-UHFFFAOYSA-N	322.361	1.282	50	20	DDGD	
CC(=O)c1ccc(CC(=O)NNC(=O)c2ccc(C#N)cc2)cc1	747171908	SMCGSPSBPGGJRQ-UHFFFAOYSA-N	321.336	1.765	50	20	DDGD	
COC(C)(C)CNC(=O)NNc1ncc(Br)cn1	847328262	YXXYCRBOSUTRIZ-UHFFFAOYSA-N	318.175	1.290	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2ccc[n+]([O-])c2)c(C)c1	913428395	RDRDCMVWVSJUDI-UHFFFAOYSA-N	316.386	1.568	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2cc(Br)c[nH]2)c2ncnn21	841619352	VRPCMRVDOBRQLG-ZCFIWIBFSA-N	323.154	1.468	50	20	DDGD	
CS(=O)(=O)c1ccc(NC(=O)NNC2=N[C@H]3C=C[C@H]2C3)cc1	741771863	QIFRIBNGRBGCPW-ONGXEEELSA-N	320.374	1.073	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cnc2ccccc2n1	748259154	GGBJNFWMCUHBCJ-NSHDSACASA-N	302.334	1.131	50	20	DDGD	
CC[C@@H](C#N)C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	845087371	IHTKNKPMCPQDSC-STQMWFEESA-N	303.362	1.768	50	20	DDGD	
O=C(NNc1cccc2c1CCCC2)[C@@H]1CCCS1(=O)=O	847600281	JHZRNVQXZFKBBL-AWEZNQCLSA-N	308.403	1.586	50	20	DDGD	
CCn1ncnc1C=NNC(=O)CSc1ccc(C)cc1	848402301	AJDBJNXSDWJVPV-UHFFFAOYSA-N	303.391	1.849	50	20	DDGD	
COCCOc1ccc(NC(=O)NNC(=O)C2CCCC2)cn1	920213369	OOIABOPHDKRJTI-UHFFFAOYSA-N	322.365	1.450	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCN(C2CCCCC2)C1	748848950	FIHQJUCKXJBTJP-GFCCVEGCSA-N	319.409	1.134	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1sc(N2CCCC2)nc1Cl	746860846	YKOGUQLAERQFGG-UHFFFAOYSA-N	316.814	1.814	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC[C@@H](Cc2ccccc2)C1	744405643	UZZRLYBKARRIFS-HNNXBMFYSA-N	317.433	1.745	50	20	DDGD	
CCC(CC)(CO)C(=O)NNc1nc(-c2ccncc2)no1	847421275	CRWYDIGCPJETAF-UHFFFAOYSA-N	305.338	1.373	50	20	DDGD	
O=C(Cc1ccn(-c2ccccc2)n1)NNC(=O)c1cccnc1	756901610	PMXBSGGKURJERK-UHFFFAOYSA-N	321.340	1.271	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@H]2CCCCN(C)C2)o1	858768820	YBFFEUPKUFZNAG-GFCCVEGCSA-N	308.382	1.264	50	20	DDGD	
O=C(Cc1c(F)cccc1F)NNC(=O)OCC(F)(F)F	856021374	MUYOSVBDBIAPSA-UHFFFAOYSA-N	312.194	1.827	50	20	DDGD	
CCc1nc(CNC(=O)NNc2ccc(F)cc2Cl)n[nH]1	922644155	GAPBWVAGTDFHJO-UHFFFAOYSA-N	312.736	1.986	50	20	DDGD	
COC(=O)[C@@H]1C[C@H](O)CN1C[C@@H](CBr)C1CC1	859274092	UOVBZTUWORIXJM-VWYCJHECSA-N	306.200	1.016	50	20	DDGD	
Cc1noc([C@H](C)NC(=O)NC[C@@]2(C)C[C@H]2Br)n1	856838460	CFOZPDYHWWAIOT-FMTFEUNWSA-N	317.187	1.912	50	20	DDGD	
CO[C@@H](C)CNC(=O)NNC(=O)Cn1ccc2ccccc21	852068458	QEZPBHKZYUEPSD-NSHDSACASA-N	304.350	1.007	50	20	DDGD	
CCC1(Cn2cc(C(=O)NCCSSC)nn2)COC1	854394316	PLQKYQJOFORHTK-UHFFFAOYSA-N	316.452	1.446	50	20	DDGD	
Cc1oc(-c2cnn(C)c2)nc1C(=O)NNC(=O)CC(C)C	752399112	GEEIIFUKJORNQK-UHFFFAOYSA-N	305.338	1.191	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)CC[C@H]1CC[C@@H](C)O1	854282649	OXCLDOJDXKYTRJ-VXGBXAGGSA-N	317.455	1.208	50	20	DDGD	
CC(=O)NNC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1	920430541	PHUNEJRRVKVWHM-UHFFFAOYSA-N	313.239	1.067	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cn(C)nc2C(F)F)cc1	754828035	YZEJFGMCKVOELI-UHFFFAOYSA-N	322.315	1.995	50	20	DDGD	
Cc1n[nH]c(C)c1S(=O)(=O)NC[C@]1(C)C[C@H]1Br	856756419	OZHVBIWPYJGCKK-SCZZXKLOSA-N	322.228	1.478	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](C[C@H]1CCCO1)C(F)(F)F	854928127	XOUDCFWBMJXRGE-SFYZADRCSA-N	313.345	1.201	50	20	DDGD	
COc1cccc2c1CCC2=NNC(=O)Cn1nc(C)cc1C	759648925	RCRNNRYEYGZSOZ-UHFFFAOYSA-N	312.373	1.975	50	20	DDGD	
C[C@]1(CNC(=O)c2noc3c2COCC3)C[C@@H]1Br	857868955	GWJNTVTYRNCREF-JOYOIKCWSA-N	315.167	1.651	50	20	DDGD	
CCOC1(C(=O)NC[C@@]2(C)C[C@H]2Br)CCOCC1	857689007	SEMFDPONMHJCRI-ZYHUDNBSSA-N	320.227	1.862	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCC1=NNC(=O)c1cccc(C(=O)O)c1	853426521	UQVYIYNHBVRVIW-LBPRGKRZSA-N	324.358	1.068	50	20	DDGD	
CCOc1nc(C(=O)NNC(=O)COc2ccc(C)cc2)co1	753982224	YGBYXTWMNMFOEH-UHFFFAOYSA-N	319.317	1.222	50	20	DDGD	
C[C@]1(CNC(=O)c2cccc(C(N)=O)n2)C[C@H]1Br	857393186	FBPKBUDJJOVMND-BXKDBHETSA-N	312.167	1.084	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNC(=O)c2cn[nH]c2)C1(CC)CC	858269778	MMUAQSOYRNCHID-NWDGAFQWSA-N	323.397	1.338	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCOCC2CC2)c1C	853701411	JMAWRFJEQUCYAB-UHFFFAOYSA-N	321.377	1.834	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@]2(C)CO)C[C@@H]1Br	856955650	QIPUZSPTKKLURA-MVWJERBFSA-N	305.216	1.716	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H]1C[C@@]12CCCc1ccccc12	854925029	ZUFJQNQLWQPODJ-CZUORRHYSA-N	303.431	1.748	50	20	DDGD	
CCC[C@H](O)CC(=O)NNC(=O)c1ccc2ccccc2n1	750035321	DFGUIRKWUGHQBQ-LBPRGKRZSA-N	301.346	1.547	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21	858703705	APRXBTOCBUMCQH-ZGYLKHSLSA-N	303.366	1.178	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)CC[C@H]1CCOC1	751388517	JFBZCIRWNFDPBR-NSHDSACASA-N	312.391	1.350	50	20	DDGD	
C[C@@]1(CCC(=O)NNc2ccccc2[N+](=O)[O-])CCC(=O)N1	753397853	DAUGELGRGPCASZ-AWEZNQCLSA-N	306.322	1.487	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)N[C@H]1CCCc2occc21	851950406	OSTRPUKDODFFAL-JTQLQIEISA-N	318.308	1.835	50	20	DDGD	
Cc1ncc(CNC(=O)NC[C@@]2(C)C[C@H]2Br)o1	856862720	AJZHDFXKTRIXIN-MWLCHTKSSA-N	302.172	1.956	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(C#N)c1)n1nnnc1C(C)(C)C	758385893	QXNZQWBUOBIRFQ-JTQLQIEISA-N	313.365	1.547	50	20	DDGD	
Cc1noc(Cl)c1CC(=O)NNC(=O)c1ccccc1F	750833097	JZQXGSOVGTVAEE-UHFFFAOYSA-N	311.700	1.779	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NNC(=S)Nc1ccccc1OC	865273252	XVHKPEOKNXVSND-BXKDBHETSA-N	309.391	1.438	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CCC(=O)NC2CCCC2)c1	862477009	AWWQVCIQWCZBLD-UHFFFAOYSA-N	323.418	1.657	50	20	DDGD	
CCCN(C)c1ccccc1NC(=O)C(=O)NNC(=O)C1CC1	861803515	YFOZSJDOAAUQMT-UHFFFAOYSA-N	318.377	1.029	50	20	DDGD	
CC(=NNC(=O)c1cnn(-c2ccccc2)c1)c1ccnn1C	766020740	PDVAZNFAPBIQQG-UHFFFAOYSA-N	308.345	1.760	50	20	DDGD	
Cn1cc(NC(=O)NNC(=O)CSc2ccccc2O)cn1	763912540	TYGYMHQZJCMCGE-UHFFFAOYSA-N	321.362	1.071	50	20	DDGD	
Cn1c(O)nc2ccc(C(=O)NNc3nc4ccccc4[nH]3)cc21	768502948	FASIBUVIIVKDFO-UHFFFAOYSA-N	322.328	1.912	50	20	DDGD	
Cn1[nH]c(COC(=O)CCCC[C@H]2CCSS2)nc1=O	765410220	ONHOFWHHBHOYAP-VIFPVBQESA-N	317.436	1.866	50	20	DDGD	
O=C(Cn1nc(C(F)F)cc1C(F)F)NNC(=O)NC1CC1	930720138	NHAVYLCUKPRDKC-UHFFFAOYSA-N	323.250	1.251	50	20	DDGD	
COc1nccnc1NNC(=O)Cc1ccc(NC(C)=O)cc1	764464037	KMQLOFYQHTUHCB-UHFFFAOYSA-N	315.333	1.129	50	20	DDGD	
CCCc1[nH]nc(C(=O)NN=c2cc[nH]c(C)c2)c1[N+](=O)[O-]	862511381	MYXKBSSALHHZJA-UHFFFAOYSA-N	304.310	1.153	50	20	DDGD	
COc1ccc([N+](=O)[O-])c(C(=O)NN[C@@H](C)C(F)(F)F)c1	862309012	KYVNKLKRWXZYOA-LURJTMIESA-N	307.228	1.789	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1conc1C(C)C	860541171	SNKAUKZPTYZOBW-UHFFFAOYSA-N	302.425	1.270	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC[C@H](c2nc[nH]n2)C1	867431737	URRAAGJQXGAGBY-VIFPVBQESA-N	306.819	1.189	50	20	DDGD	
CCOCCn1cc(C(=O)NNC(=O)c2cc(C)cs2)cn1	862480201	ADBGRHAZNGNZAW-UHFFFAOYSA-N	322.390	1.364	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@H]1C[C@@]12CCOC2	763733842	HAQKXRJLNRQYMR-SWLSCSKDSA-N	308.765	1.457	50	20	DDGD	
C[C@@H](NNC(=O)[C@H]1COCCN1C1CCCC1)C(F)(F)F	862317326	KMPWCJZWVNTFLH-MWLCHTKSSA-N	309.332	1.201	50	20	DDGD	
Cc1cc(=NNC(=O)CCn2c(C)c(C)sc2=O)cc[nH]1	862511647	WSCFHRXRHWDSIM-UHFFFAOYSA-N	306.391	1.185	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNCC(F)(F)C(F)(F)F)[C@H]1C	863103406	YJESNWZVCXAZGL-RULNZFCNSA-N	304.259	1.864	50	20	DDGD	
Cc1ccc([C@@H](C)NCc2ccccc2B(O)O)cc1[N+](=O)[O-]	863888165	JBBJPSRCJBGNRT-GFCCVEGCSA-N	314.150	1.434	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C1CCCCc2cc(C#N)ccc21	863186526	AMEMZJCZHTUYHC-UHFFFAOYSA-N	319.386	1.150	50	20	DDGD	
CC(C)(C(N)=O)C(=O)NNc1cccc(Br)c1	768093315	KFWOVPBJQSYQOH-UHFFFAOYSA-N	300.156	1.404	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@H]2COC3(CCCCC3)O2)cc[nH]1	875462532	PAZINGIWWPIINU-AWEZNQCLSA-N	320.393	1.514	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(C2CC2)C1	768247672	TZWHRBLMEJOASK-VIFPVBQESA-N	304.306	1.049	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cc(C(F)F)ccc1Cl	763442516	ADDIOTQQHDGBIN-UHFFFAOYSA-N	319.695	1.774	50	20	DDGD	
CC1CCN(C(=O)C(=O)NNc2oc(C(C)C)nc2C#N)CC1	767778684	CBYXYDVWRPOPPW-UHFFFAOYSA-N	319.365	1.371	50	20	DDGD	
CC[C@@H](C(=O)NNc1cncc(Br)c1)C(=O)OC	1116952055	QIANOWBPDXCIAY-VIFPVBQESA-N	316.155	1.486	50	20	DDGD	
Cc1nc(O)c(C(=O)NNC(=O)C(C)C)cc1Br	778291728	FZWXDAMZDPZHFT-UHFFFAOYSA-N	316.155	1.275	50	20	DDGD	
C[C@H](C=NNC(=O)[C@H]1CCO[C@H]1C)CNC(=O)OC(C)(C)C	1118237344	VFYGJLJUTNRSJA-SRVKXCTJSA-N	313.398	1.674	50	20	DDGD	
COC(=O)[C@H](C)n1cccc1C=NNC(=O)c1ccc(N)cc1	774576445	WMDMSHYJXFHJBA-NSHDSACASA-N	314.345	1.568	50	20	DDGD	
CCC(C)(C)NC(=S)NNC(=O)CNc1cccc(OC)c1	774148311	DKBZZAAPIAZRDY-UHFFFAOYSA-N	324.450	1.791	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)[C@@H]1CCCN1c1ncccn1	778451532	SPNREHYVMNJTHM-NSHDSACASA-N	318.768	1.637	50	20	DDGD	
Cc1cc(C(F)(F)F)nn1CC(=O)NNc1ccc(F)cn1	874648234	IPXVBPWLZMEORE-UHFFFAOYSA-N	317.246	1.888	50	20	DDGD	
COC[C@H](NC(=O)NN(C)C(=O)OC)c1cccc(Cl)c1	875588419	CJVHZXMKBKQBEX-NSHDSACASA-N	315.757	1.940	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H]1CCN(C)c2ccccc21	1119070887	RXJONESOMVDWCS-LBPRGKRZSA-N	306.435	1.514	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ccc2nncn2c1	777828135	MCVMOMHCXIGUEE-UHFFFAOYSA-N	311.301	1.273	50	20	DDGD	
CC[C@@H](OC)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874950437	CMCSRGPMKNXQOV-GFCCVEGCSA-N	310.423	1.495	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C(C)=C2CCC2)cn1	874955302	OAZCSCKZFRLJJK-UHFFFAOYSA-N	306.391	1.908	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)Cc2ccc(C)o2)nc1C	778429971	WFTQCNIWFVHHSO-UHFFFAOYSA-N	318.333	1.549	50	20	DDGD	
COC(=O)[C@@H](C)n1cccc1C=NNC(=O)c1cccn1C	774590615	XDQFMTFZBAQUOW-LLVKDONJSA-N	302.334	1.325	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1cc(F)c(F)cc1F)[C@@H]1CCCO1	776232923	UODXAALOKYJSAN-YPMHNXCESA-N	313.279	1.911	50	20	DDGD	
Cc1ncc(Br)c(C(=O)NN=c2cc[nH]cc2)n1	1116701707	HEPQYJABZLACBT-UHFFFAOYSA-N	308.139	1.121	50	20	DDGD	
O=C(Cn1nnc(-c2ccccc2)n1)NN=C1CCC[C@@H]1F	872326855	AWLPRCQJGVCRJP-NSHDSACASA-N	302.313	1.334	50	20	DDGD	
CC[C@H]1C[C@H](C(=O)NNC(=S)NCCSC)CCO1	779947197	JMEJQWHVVHUFFU-ZJUUUORDSA-N	305.469	1.050	50	20	DDGD	
Cn1nccc1NC(=O)NNC(=O)c1ccc(Cl)cc1O	775751270	KGVIFTCLULZAAW-UHFFFAOYSA-N	309.713	1.246	50	20	DDGD	
CC[C@H](CO)C(=O)NNC(=O)c1cccc(Br)c1	779796307	SSTSTQVVSWIVRG-MRVPVSSYSA-N	315.167	1.229	50	20	DDGD	
CC(C)n1ncc2c(C(=O)NN(C)C(N)=O)cc(C3CC3)nc21	778418224	KZZVIZPQZBKFSY-UHFFFAOYSA-N	316.365	1.545	50	20	DDGD	
O=C(Cc1cccc(Cl)c1F)NNC(=O)C1CCOCC1	883070378	OAJDKVTYLQHLHU-UHFFFAOYSA-N	314.744	1.596	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccccc2)nn1CCC#N	777616472	XJBBCGODJYSPQO-UHFFFAOYSA-N	312.333	1.572	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1cccc(OC)c1O)C(F)F	881015036	UUVAOCFJFXYIIG-MRVPVSSYSA-N	317.292	1.389	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NC[C@@H](O)C(F)(F)F	776670155	QHOQJVVWYHMHQW-FZPLPXEFSA-N	300.236	1.339	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)c3nc[nH]n3)cc2C1	772710107	ZILJWDMRQNETIS-SSDOTTSWSA-N	305.363	1.066	50	20	DDGD	
CCN([C@H](C)C(=O)OC(C)(C)C)S(=O)(=O)CCCCl	882383757	KEPCJEDIZGISIG-SNVBAGLBSA-N	313.847	1.997	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C(=O)CC)cc1	772183795	RIUSUFYKAUVTDM-SNVBAGLBSA-N	320.345	1.382	50	20	DDGD	
Cc1cccc(C)c1CCNC(=O)NNC(=O)c1cccnn1	883521282	AUYWOEZPFJNVNT-UHFFFAOYSA-N	313.361	1.280	50	20	DDGD	
C#CCn1cc(CNS(=O)(=O)CC(C)(C)CCl)cn1	882349291	MIGLTWDJVZXQSK-UHFFFAOYSA-N	303.815	1.201	50	20	DDGD	
COc1ccc(NNC(=O)Nc2nc(C)ccc2OC)nc1	782074188	ZKEVHHPOMCPFDU-UHFFFAOYSA-N	303.322	1.951	50	20	DDGD	
NC(=O)c1ccc(NC(=O)C(=O)NNc2ccccc2)c(F)c1	784770086	YQDUKWJZHZWRFE-UHFFFAOYSA-N	316.292	1.006	50	20	DDGD	
C=C[C@H]1CCCCN1CC(=O)NNC(=O)c1cccc(C#N)c1	785996943	HNUHGJBZSKSULI-HNNXBMFYSA-N	312.373	1.360	50	20	DDGD	
Cc1nc2ccnn2c(C)c1CCC(=O)NN=c1cc[nH]cc1	780757102	SKXWQNYFTUZCKZ-UHFFFAOYSA-N	310.361	1.239	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(OC)c(OC)c2)n1	780772777	XZEWEBLTQVFJEH-UHFFFAOYSA-N	303.318	1.864	50	20	DDGD	
COc1cc(C)ccc1CNC(=O)NNC(=O)C1CCOCC1	883510464	PACATHFABJACAN-UHFFFAOYSA-N	321.377	1.261	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2c[nH]cc(C)c2=O)n1	781429795	SBZCGKSBZCUVDK-UHFFFAOYSA-N	316.365	1.076	50	20	DDGD	
CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	899942672	ORZCWDXBMJQKCV-ZJWDHLRQSA-N	308.422	1.757	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(C)cc2OC)n1	780843662	USDZRMWAYNIRRB-UHFFFAOYSA-N	302.334	1.868	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cccc(Cl)c1)c1ncnn1C	788888201	ZAABJVCUFKPTMC-MRVPVSSYSA-N	322.756	1.174	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NC[C@H]1CCC=CO1	780745216	SQORTTVCGQOMDI-CYBMUJFWSA-N	307.325	1.391	50	20	DDGD	
COC1CCC(=NNC(=O)c2cccc(S(C)(=O)=O)c2)CC1	783828656	XAIMMQNPGCXITB-UHFFFAOYSA-N	324.402	1.765	50	20	DDGD	
COc1ccc(C=NNC(=O)COc2ccc(F)cc2)cn1	780196712	HZTFOBORXLHTKK-UHFFFAOYSA-N	303.293	1.758	50	20	DDGD	
CC1(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)COC1	782552353	DTXVNYMIIOQIFK-UHFFFAOYSA-N	303.145	1.791	50	20	DDGD	
COC(=O)CCc1ccccc1C(=O)NNC(=O)OC(C)(C)C	899924929	CFCWMXXIYXXOGT-UHFFFAOYSA-N	322.361	1.962	50	20	DDGD	
COc1cccc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])n1	791075189	CGZVNRLKNMHFHM-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
CCC(CC)n1nccc1C(=O)NNC(=O)NCC(F)(F)F	798314554	QLVDXMVDAQXHBI-UHFFFAOYSA-N	321.303	1.751	50	20	DDGD	
C[C@@H]1CCC[C@@H]1CNC(=O)NNc1nc(O)c2cnn(C)c2n1	798511755	RTAUEMWVHSPOMU-RKDXNWHRSA-N	319.369	1.131	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53	795261765	ZVWQFYZFFRFWFJ-DIJRRZNFSA-N	312.373	1.322	50	20	DDGD	
CCn1ncc2cc(C(=O)NNC(=O)c3ccccn3)c(C)nc21	799407337	RMCKOPPAPBLQJS-UHFFFAOYSA-N	324.344	1.229	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cc([N+](=O)[O-])n[nH]1	795952071	UQZLIPSECQGOQQ-UHFFFAOYSA-N	308.206	1.454	50	20	DDGD	
CNS(=O)(=O)[C@@H]1CCN(C(=O)c2cccc(CCl)c2)C1	1336419182	ZUIRNIOFJZQEGA-GFCCVEGCSA-N	316.810	1.189	50	20	DDGD	
CCCc1c(C(=O)NNc2ccn(C)n2)[nH]c(C)c1C(=O)OC	1324865151	ZMCUIIAUGMVHEG-UHFFFAOYSA-N	319.365	1.553	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2cnc(C3CC3)[nH]2)c1	1320781177	AQIULIPHSUYCHW-UHFFFAOYSA-N	320.374	1.448	50	20	DDGD	
CCc1ncc(NC(=O)NNCC(F)(F)C(F)(F)F)cn1	1328937621	UQMZOVQQJDVCGD-UHFFFAOYSA-N	313.230	1.863	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NC/C=C/C1CC1	1328212831	NAGFMWDHASMAQM-AATRIKPKSA-N	317.389	1.924	50	20	DDGD	
CC(=NNC(=O)CCO)c1ccc(Br)c(F)c1	1324026788	JQPBLJMQBQSECF-UHFFFAOYSA-N	303.131	1.811	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ncc(Cl)s2)c1Cl	1321193016	FMIHUZMHUXEEEM-UHFFFAOYSA-N	305.150	1.579	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2ccc([S@@](C)=O)cc2)cs1	1339943376	ZPYXIOAENAZJPK-OAQYLSRUSA-N	321.427	1.882	50	20	DDGD	
COc1ccc(NC(=O)NN=c2cc[nH]cc2)c([N+](=O)[O-])c1	1526687663	HGOAJKIGWRQTAY-UHFFFAOYSA-N	303.278	1.569	50	20	DDGD	
C[C@]1(COC(=O)[C@@H]2CC(=O)N(C3CC3)C2)C[C@@H]1Br	1526044777	MVYMRDHAFGLPOR-DFAYQTQMSA-N	316.195	1.714	50	20	DDGD	
Cc1n[nH]c(C)c1CCC(=O)NNc1ccc(C(=O)O)cc1F	1600668676	SIWZUQNBFRELQJ-UHFFFAOYSA-N	320.324	1.940	50	20	DDGD	
Cc1c(NNC(=O)NCCc2ccncc2)cccc1C(=O)O	1607552953	ZOBORSHEVZPDGX-UHFFFAOYSA-N	314.345	1.957	50	20	DDGD	
O=C(NNc1cccc(F)c1C(=O)O)c1cn2c(n1)CCC2	1601560798	YZEYCBHQABMTHD-UHFFFAOYSA-N	304.281	1.424	50	20	DDGD	
O=C(/C=C\c1cncc(O)c1)NNc1cccc(C(=O)O)c1F	1601245783	OBJPGGFDVDORFZ-PLNGDYQASA-N	317.276	1.781	50	20	DDGD	
Cn1c(C=O)ccc1C(=O)NNc1ccc(CC(=O)O)cc1	1600911053	CQMJBQBPSMHZJN-UHFFFAOYSA-N	301.302	1.222	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)N[C@H]2COC3(CCC3)C2)cc1	1602128436	UKRRQJQBMYURFJ-CYBMUJFWSA-N	319.361	1.651	50	20	DDGD	
CCCNC(=O)NN=C1CCCc2cc(-c3nn[nH]n3)cnc21	1609215866	MZERRPFHWXKDPW-UHFFFAOYSA-N	314.353	1.011	50	20	DDGD	
CCc1ccc(NNC(=O)[C@@H]2CO[C@H](CCC(=O)O)C2)cc1	1603975624	YMIJYUDQJKTKGI-GXTWGEPZSA-N	306.362	1.962	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)Nc1cc(C(=O)O)nn1C	1600431092	JCWNNXHSGOCFHS-UHFFFAOYSA-N	307.285	1.714	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@@H]1c1nccn1C)c1ccc[nH]1	1549308894	JYLWQDSGLCDDQO-OCCSQVGLSA-N	315.377	1.756	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C=NNC(=O)[C@@H]1CCCO1	1552453660	QAQFGSRIKUSGSV-FRRDWIJNSA-N	306.366	1.169	50	20	DDGD	
CC[C@H](C)[C@H](N)C(=O)NNC(=O)c1nc2ccccc2s1	1578230738	KUEIESCXKLZYEQ-KWQFWETISA-N	306.391	1.431	50	20	DDGD	
CC(C)[C@@H](N)C(C)(C)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	1575447496	OGMUQBYLTOCDRE-GFCCVEGCSA-N	322.365	1.365	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)[C@H]1NCCOc2ccccc21	1580739826	POVMPOODZLRBFC-AWEZNQCLSA-N	318.764	1.323	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)[C@@H]1CNCCC12CCC2	1580739294	CEEDGEBHXNSISR-NSHDSACASA-N	322.340	1.957	50	20	DDGD	
O=C(CCc1ccccc1)NNc1ccc(-c2nn[nH]n2)cn1	1582061181	AVIDJUOUDDWSOG-UHFFFAOYSA-N	309.333	1.338	50	20	DDGD	
N#C[C@@H]1CNCC12CC(C(=O)NNc1cc(F)ccc1F)C2	1580042918	DOYZRWJVKZHCCL-KGXJWFGYSA-N	306.316	1.547	50	20	DDGD	
CC(C)(C#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(Cl)Cl	1847349400	KDTPWSOTDBLFQS-IUCAKERBSA-N	318.204	1.542	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C1CC(CC(=O)O)C1	1597179916	NBZFJRHNQXYGOO-UHFFFAOYSA-N	320.345	1.821	50	20	DDGD	
CC(C)C[C@@H](C(=O)O)N(C)C(=O)/C(C#N)=C\c1cnn(C)c1	1591422499	IIELRXFMBUMGFC-TZQNSNDFSA-N	304.350	1.285	50	20	DDGD	
O=C(NCC1(C(F)(F)F)CC1)NNc1ncccc1C(=O)O	1594744372	ZWUGHMSZYFOEIP-UHFFFAOYSA-N	318.255	1.748	50	20	DDGD	
C[S@@](=O)c1cccc(C(=O)NNc2ccccc2C(=O)O)c1	1599781538	YCMGFXMZYZATRP-JOCHJYFZSA-N	318.354	1.879	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(C(=O)O)cc1F)c1ncnn1C	1593102944	ZZBOXNMXSVKUAZ-ZETCQYMHSA-N	322.300	1.040	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1csc(-c2nn[nH]n2)c1	1591431892	WIWNALPHEHOUOH-RUDMXATFSA-N	305.319	1.025	50	20	DDGD	
O=C(O)c1coc(C=NNC(=O)c2cn3c(n2)CCCC3)c1	1776105631	XHIRMRUYUJATPM-UHFFFAOYSA-N	302.290	1.275	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=S)NC(C)C)[nH]n2)cc1	14315817	GGLSMFPXRDWHFK-UHFFFAOYSA-N	317.418	1.902	50	20	DDGD	
C[C@@H]1CCCN(CC(=O)NNC(=O)c2ccccc2Cl)C1	15376869	OAARNKRTLBPUDT-LLVKDONJSA-N	309.797	1.833	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)Cc1ccc(F)cc1	15528586	QLMMBCRBAJVWKJ-UHFFFAOYSA-N	320.295	1.734	50	20	DDGD	
N#Cc1ccccc1NC(=O)CCCC(=O)NNc1ncccn1	150904070	GAJBPPNZKBSZEC-UHFFFAOYSA-N	324.344	1.600	50	20	DDGD	
Cc1nn(C)c(C)c1CCC(=O)NNc1ncccc1[N+](=O)[O-]	153409579	YEPJDZJBLPVHKM-UHFFFAOYSA-N	318.337	1.416	50	20	DDGD	
Cc1ccn2c(=O)c(C(=O)NNc3ccc(C#N)cc3)cnc2c1	155673369	VBYYEMNFAFKUKV-UHFFFAOYSA-N	319.324	1.632	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C[C@@H](C)c2ccncc2)n1	155788833	XEVOPUNYRNLLCS-SNVBAGLBSA-N	301.350	1.826	50	20	DDGD	
CS[C@H](C)CC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	155465584	IAPCMUSHAKKCQA-ZJUUUORDSA-N	314.382	1.882	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2[C@H]3Cc4ccccc4[C@@H]32)o1	154706474	ZEYDZQWJVYUODN-QEJZJMRPSA-N	311.341	1.870	50	20	DDGD	
CCn1cc(S(=O)(=O)NCCSSC)cc1C(=O)O	283851915	FXGLCCXPOIEALH-UHFFFAOYSA-N	324.449	1.496	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCCSC(F)(F)F	490692256	RSMAYIINMLJZNM-UHFFFAOYSA-N	303.306	1.978	50	20	DDGD	
Cc1cc(C)cc(C(=O)NCC(=O)NNc2cc(C)ncn2)c1	172276571	GJYIJUSXADIQHY-UHFFFAOYSA-N	313.361	1.275	50	20	DDGD	
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NNC(=O)CC(C)(C)C	103181637	BIDAFXUJJSHYSW-VHSXEESVSA-N	300.403	1.056	50	20	DDGD	
CC(C)N(C)CC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	63464921	QDVUPRGNLQVRHV-LLVKDONJSA-N	311.357	1.081	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cc(-c3ccco3)[nH]n2)c1	103437084	ASUVLFAUMMURTH-UHFFFAOYSA-N	321.296	1.616	50	20	DDGD	
CCO[C@H]1CCCN(C(=O)NNC(=O)c2ccc(C#N)cc2)C1	60993704	JKEKHGSGOQEFBO-AWEZNQCLSA-N	316.361	1.414	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	172086449	MOWAYVAXZLYMBT-WGBDABJCSA-N	322.336	1.308	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2nc(-c3ccccc3)no2)c[nH]1	174744096	GERMURCYGADGCL-UHFFFAOYSA-N	311.301	1.490	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(F)ccc2[N+](=O)[O-])n1	174475768	IAXXFWBZXQWFRR-UHFFFAOYSA-N	321.268	1.598	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1Cl)C(=O)NNC(=O)N(C)C	112884992	MGYQGEAEIPJXRQ-ZETCQYMHSA-N	303.721	1.549	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC(C1CC1)C1CC1	67482673	ODBRHWAUEUDOFA-UHFFFAOYSA-N	303.362	1.828	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(F)cc2)CC(C)(C)O1	68477568	HSAFROVUSZVPRD-LLVKDONJSA-N	323.368	1.086	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@H](c1ncccc1C)C(C)C	120828215	UGCLMXHPOSLAPE-JSGCOSHPSA-N	306.410	1.623	50	20	DDGD	
O=C(CSCC(F)(F)F)NNc1ncnc2nc[nH]c12	121164800	CJCZZLUYGMKCKD-UHFFFAOYSA-N	306.273	1.092	50	20	DDGD	
Cc1cc(NNC(=O)CCc2cccc3c2OCO3)ncn1	184474104	UPYWNALFXHLODY-UHFFFAOYSA-N	300.318	1.590	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](Cc1ccccc1)C1CC1	77646309	WLKUABQWEZWCCJ-CQSZACIVSA-N	305.378	1.375	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)Nc2cccc(C)c2C#N)n1	185581800	MPTCYDWMTSNURR-UHFFFAOYSA-N	324.344	1.355	50	20	DDGD	
COc1ccc(CCCNC(=O)NNc2cccnn2)cc1	77346777	LJDAABGFJIARIL-UHFFFAOYSA-N	301.350	1.744	50	20	DDGD	
O=C(CCSc1ccccn1)NNC(=O)Cc1cccnc1	132828863	BINCQYRZBTUATP-UHFFFAOYSA-N	316.386	1.349	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](C)CN2CCC[C@H](C)C2)o1	84433794	FIRAHZRUCGBLQV-NWDGAFQWSA-N	322.409	1.652	50	20	DDGD	
Cc1nn(CC(=O)NNC(=O)c2ccncc2)c(C)c1Cl	194126049	PYDNVNGANSNCPY-UHFFFAOYSA-N	307.741	1.010	50	20	DDGD	
CN1C(=O)c2ccc(C(=O)NNc3ccc(F)cc3)cc2C1=O	45970960	XBMVDXAJSUEGBD-UHFFFAOYSA-N	313.288	1.808	50	20	DDGD	
CC(=O)N1CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CC1	192701957	WICBREMWPKEIDR-UVTDQMKNSA-N	301.321	1.423	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc([N+](=O)[O-])ccc2N)n1	195124950	YTSHZLHMILULKE-UHFFFAOYSA-N	302.294	1.341	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccnc(OC2CCC2)c1	90019437	AJDBIPBLQKPEAV-UHFFFAOYSA-N	314.345	1.426	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)NCc2ccco2)c1C1CC1	141360529	SZFMISALWQYTMD-UHFFFAOYSA-N	303.322	1.035	50	20	DDGD	
C=CCCOCC(=O)NNC(=O)c1ccc(OC)c(OC)c1	142937994	DKJMEBNBHMHRDQ-UHFFFAOYSA-N	308.334	1.058	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)C(=O)NNC(=O)C1CCCC1	93176097	UOCRRJOBAYMUIJ-UHFFFAOYSA-N	323.780	1.294	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NNc2cnccn2)cc1Cl	92431317	SHVACGUBWFRTGJ-UHFFFAOYSA-N	320.740	1.638	50	20	DDGD	
CON=Cc1ccc(C(=O)NNC(=O)Cc2ccncc2)cc1	255226134	QNKBXYSWGKJYRE-UHFFFAOYSA-N	312.329	1.066	50	20	DDGD	
CS[C@H](C)CNC(=O)NNC(=O)COc1cccc(C)c1	269843280	VWKMWGFKXHWZKQ-LLVKDONJSA-N	311.407	1.456	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1csc(C(C)(C)C)n1	263999544	QXIHTJDWRORUDB-UHFFFAOYSA-N	306.391	1.854	50	20	DDGD	
COCCCNC(=O)NNC(=O)C(C)(C)c1ccc(OC)cc1	268886615	SULZFRVCEXGKRT-UHFFFAOYSA-N	323.393	1.340	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCCC[C@H](C)CO)cc1	270476410	HYWZUOIWXZYOAT-ZDUSSCGKSA-N	323.393	1.113	50	20	DDGD	
CC(C)Oc1ncccc1NC(=O)C(=O)NNC(=O)C(C)(C)C	273694934	KVHWILYZCKOFFA-UHFFFAOYSA-N	322.365	1.001	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@](C)(O)[C@@H](C)c2ccccc2)[nH]n1	270602233	DXWRCTKIJPALPJ-ZBEGNZNMSA-N	316.361	1.034	50	20	DDGD	
CC(=O)c1cccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)c1	271710295	NOQRBZXJBLKUNT-UHFFFAOYSA-N	305.334	1.021	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccnc(Cl)c1F	271399234	JYVJGYFNLADSGF-UHFFFAOYSA-N	322.818	1.346	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCC[C@@H](C)CO)cc(C#N)n1C	270437690	KJJRBHHFVBGQJZ-IWTIEGKHSA-N	314.389	1.637	50	20	DDGD	
CCc1ccc(NC(=O)NNC(=O)[C@H](C)OCCOC)cc1	272286082	AOQUDTNSNONEBZ-NSHDSACASA-N	309.366	1.453	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCc1ncc(-c2ccccc2)o1	271453936	VIAIPCMRNLZVOB-UHFFFAOYSA-N	316.361	1.967	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NCC(F)F	278257495	WUPUESLJHDWAPA-SSDOTTSWSA-N	321.711	1.703	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	274362854	UNKMCADZQCQNES-RKDXNWHRSA-N	315.295	1.946	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2ncoc2CC)nc1C	272157587	HFBABPYSIRSVLD-UHFFFAOYSA-N	319.321	1.269	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCC1=CCCOC1	287971005	NCFFQLGJIASDIV-UHFFFAOYSA-N	307.325	1.045	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H]2CCc3cnn(C)c3C2)c1	282635465	GNJZDBNCHKNNBK-SNVBAGLBSA-N	318.352	1.816	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@](O)(CC)c1cccc(Cl)c1	282850582	WICZAGYAHNSPIN-CQSZACIVSA-N	313.785	1.630	50	20	DDGD	
CSC1(CNC(=O)NNc2cccc(F)n2)CCOCC1	288855602	XAXJEFGVBRJJBE-UHFFFAOYSA-N	314.386	1.759	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)Nc1ccccc1	283622368	ASIFNVZRCYDWDK-YPMHNXCESA-N	307.350	1.423	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CCCOC(C)(C)C	803170293	MYWJSZMPWNOOPG-UHFFFAOYSA-N	322.405	1.980	50	20	DDGD	
CCc1ccc(CNC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)s1	297059335	KRDJFWAMCSOFDQ-CABZTGNLSA-N	311.407	1.708	50	20	DDGD	
Cc1nnc(COCC(=O)NNc2cccnc2Cl)s1	807033644	WZWPWVOUGDWVHA-UHFFFAOYSA-N	313.770	1.555	50	20	DDGD	
COc1cccc(C)c1NC(=O)C(=O)NNc1ncccc1F	807302259	QEMYXZULBLUBTI-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
CC(C)CCCNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	298643550	DARBYOKGFCUWCY-AWEZNQCLSA-N	321.377	1.593	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2sccc2CN(C)C)O1	293810995	DMEOZCSLUXYYNZ-ONGXEEELSA-N	311.407	1.138	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CC2CC2)cc1S(C)(=O)=O	294152002	MJLPCRLNEAEXCL-UHFFFAOYSA-N	324.402	1.214	50	20	DDGD	
Cc1nnc2ccc(C(=O)NNC(=O)Nc3ccccc3)cn12	801987056	OJNGEJKEAPGKOO-UHFFFAOYSA-N	310.317	1.504	50	20	DDGD	
COc1ccc(COCCCC(=O)NNc2ccncn2)cc1	295446530	KWPSOJKZVNATIV-UHFFFAOYSA-N	316.361	1.925	50	20	DDGD	
CN(CC(=O)NNC(=O)C(C)(C)C)C1CCC(F)(F)CC1	805840756	WROMQZAFFCEORD-UHFFFAOYSA-N	305.369	1.690	50	20	DDGD	
C[C@@](O)(CCc1ccccc1)C(=O)NNC(=O)NCC1CC1	801140169	CSZBLRHJWBQFBH-MRXNPFEDSA-N	305.378	1.111	50	20	DDGD	
O=C(CNc1ccccc1Cl)NNC(=O)N=c1cc[nH]cc1	802025998	LEGAZEYKNVRTGW-UHFFFAOYSA-N	319.752	1.422	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H](C)Sc2nncn2C)cc1	294473458	VSSJMFSSBFOMLX-JTQLQIEISA-N	321.406	1.838	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	293865778	ISFLMBMEZGYNRS-SCRDCRAPSA-N	306.362	1.477	50	20	DDGD	
O=C(CCc1nc2ccccc2[nH]1)NNC(=O)[C@H]1CCCCO1	295254265	ANDBGAQDFYCLLK-CYBMUJFWSA-N	316.361	1.212	50	20	DDGD	
O=C(CSc1ccc(O)cc1)NNC(=O)N=c1cc[nH]cc1	802022919	JKYLGJGXTKEPJR-UHFFFAOYSA-N	318.358	1.154	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNc2ncc(F)cc2F)c1C	296797215	BEVPHXIJRPCIIC-UHFFFAOYSA-N	309.320	1.879	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)COC(C)(C)C)cc1	802122223	GWFCPTBEBXLQPQ-UHFFFAOYSA-N	308.382	1.720	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2ncncc2F)c1C	815765242	KMUHXWDRWRHOKN-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
Cn1cc(-c2nc(C(=O)NNC(=O)CC3CC3)cs2)cn1	819103879	BZSDXAZBMKIGRC-UHFFFAOYSA-N	305.363	1.105	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C(C)c1cc[nH]n1	814723581	SBFNZRFSLBOTQH-UHFFFAOYSA-N	302.334	1.728	50	20	DDGD	
CON(C)C(=O)CNC(=O)NNc1c(C)cccc1Cl	817804633	ZYZISWRHQQGGAN-UHFFFAOYSA-N	300.746	1.294	50	20	DDGD	
CC[C@@H]1CCC1=NNC(=O)Nc1ccc(S(N)(=O)=O)cc1	814964542	XUZWCMNIAROMRI-SECBINFHSA-N	310.379	1.632	50	20	DDGD	
C=C(C)C(C)(C)C(=O)NNC(=O)c1cncc(NC(C)=O)c1	819909018	UBISTLGDKLOWKD-UHFFFAOYSA-N	304.350	1.403	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cnn(CC(F)F)c1	814214858	HIWRKTCQWONKQJ-UHFFFAOYSA-N	301.341	1.330	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@@H]2CCCCCC(=O)C2)c1	813440670	RSUVAHSFHIZLHN-CQSZACIVSA-N	313.357	1.859	50	20	DDGD	
Cc1cc(C(=O)NNc2ncncc2F)c(N)c([N+](=O)[O-])c1	817071183	QXOPMNULSMKUOD-UHFFFAOYSA-N	306.257	1.171	50	20	DDGD	
CCn1nc(C(=O)NN=C(C)CCOC)c2ccccc2c1=O	814739663	ZDGFKOFWKOLLOL-UHFFFAOYSA-N	316.361	1.559	50	20	DDGD	
Cc1c[nH]nc1C=NNC(=O)c1cc(-c2cccs2)[nH]n1	814876145	KPDWLCVPGMYFQR-UHFFFAOYSA-N	300.347	1.934	50	20	DDGD	
CCc1nc([C@H](C)NC(=O)[C@@]2(C)C[C@H]2Br)n[nH]1	823484744	VWMUXDGTGLNVBE-CVJICSNFSA-N	301.188	1.718	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N(C)Cc1ccc(C#N)cc1	827314622	HMOVCYKYYZLKRF-SMDDNHRTSA-N	316.361	1.156	50	20	DDGD	
O=C(CC1CCCC1)NN=Cc1cc(-c2nn[nH]n2)cs1	822940807	FIMULPJTIJPOCB-UHFFFAOYSA-N	304.379	1.959	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(OCCOC)c(F)c1	494660858	ZGFOKBWPALDAPO-UHFFFAOYSA-N	315.301	1.634	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(Oc2ccc(F)cc2)nc1	823898480	XIMPAPHDROHDNC-UHFFFAOYSA-N	319.336	1.972	50	20	DDGD	
C#Cc1ccc(C(=O)NNc2nc(-c3ccccc3)no2)nc1	728967802	DUFZLGDLWPWHCA-UHFFFAOYSA-N	305.297	1.870	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C[C@H](NC(N)=O)c1ccccc1	490734774	UTDXCBVQWHSYLQ-NSHDSACASA-N	322.365	1.342	50	20	DDGD	
CN(C)[C@H](CNS(=O)(=O)CCCCl)c1cccc(F)c1	726867007	WUUUMKCDXRDXAI-CYBMUJFWSA-N	322.833	1.977	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2CC2(C)C)o1	824353259	ZVMHNSWFEYBEEA-ZETCQYMHSA-N	305.342	1.467	50	20	DDGD	
COC(=O)c1cnc([C@@H](C)NC(=O)NNc2ccncn2)s1	823899389	RZHKNFMIMNONIM-SSDOTTSWSA-N	322.350	1.107	50	20	DDGD	
O=C(NCCOCCF)NNc1ccc(OC(F)F)cc1	824331470	VPDGGAHJKYCCRT-UHFFFAOYSA-N	307.272	1.900	50	20	DDGD	
Cc1cccnc1C(=O)NN=Cc1ccc(-c2nn[nH]n2)s1	826308402	XUFXCASJBBOURB-UHFFFAOYSA-N	313.346	1.396	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)OC[C@@H]2CN(C)C(=O)O2)c1	495729992	NFURTXYNTWVIQK-ZDWRTJATSA-N	316.313	1.596	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H](CN1CCCC1)c1ccccc1	823952207	XVVVJFRFYKRIKP-OAHLLOKOSA-N	318.421	1.606	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)C2CC2)CC1)c1cccc2cccnc12	822878893	ODBJEZTYHPOVJZ-UHFFFAOYSA-N	323.352	1.755	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCSc1ccccc1	825534657	RNRQWKUKZDFVSD-WCQYABFASA-N	323.418	1.534	50	20	DDGD	
CCCONC(=O)NNC(=O)c1cccc(Br)c1	828283424	TZHOGCLOLSLLTF-UHFFFAOYSA-N	316.155	1.735	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@H]2CCS[C@H]2C)cc1	827648700	FGPATQXRKKKGKP-CABZTGNLSA-N	324.406	1.925	50	20	DDGD	
Cc1cc(O[C@H](C)C(=O)NN(C)[C@@H](C)CO)ccc1Cl	823970060	BNUBTECOOSGBSY-WDEREUQCSA-N	300.786	1.760	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1cnc(-c2ccccc2)s1	495407401	KJLWQWLBJWZAQR-UHFFFAOYSA-N	320.330	1.136	50	20	DDGD	
O=C(c1c[nH]nc1-c1ccc(Cl)cc1)N1CC[C@@H](B(O)O)C1	585072650	QHPOULMXKSLIOA-SNVBAGLBSA-N	319.557	1.419	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(OCc2ccncc2)cc1	823917287	HCLDUJUFKVZDNT-CYBMUJFWSA-N	315.373	1.618	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccccc1S(=O)(=O)C(F)F	497190347	NHRRDWPJQPYQRZ-UHFFFAOYSA-N	322.289	1.026	50	20	DDGD	
CC(C)[C@@H]1OCCC[C@@H]1CNCc1ccc(B(O)O)cc1F	585025746	BMEQKGJBIMNLTG-CJNGLKHVSA-N	309.190	1.046	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)c1cc(-c2nn[nH]n2)c[nH]1	823280929	IQVINOLBXLFLKT-UHFFFAOYSA-N	304.701	1.000	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C\c1ccc(N(C)CCOC)nc1	491011591	PGERPJDPQJPTPM-UVTDQMKNSA-N	300.362	1.373	50	20	DDGD	
CCCC[C@](C)(F)C(=O)NNc1nc(O)c2cnn(C)c2n1	827657152	MTRCBZAZLYDJGC-ZDUSSCGKSA-N	310.333	1.430	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1cc(-c2nn[nH]n2)cs1	821691144	KMHVKCDVUFPICS-YWEYNIOJSA-N	305.319	1.025	50	20	DDGD	
C[C@]1(C(=O)NNc2ncc(F)cc2F)C[C@@H]1Br	909546580	MWOZOEIMFKVIOK-XVKPBYJWSA-N	306.110	1.976	50	20	DDGD	
OB(O)c1ccc(-c2noc(-c3coc(C4CCC4)n3)n2)cc1	585053346	DWXVLYBPXXFUKH-UHFFFAOYSA-N	311.106	1.339	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1Cc2ccccc2C[C@@H]1C	827286689	BBLGHQVEZZXETA-HUBLWGQQSA-N	317.389	1.599	50	20	DDGD	
CCNC(=O)C1(CNC(=O)[C@]2(C)C[C@@H]2Br)CCC1	907721801	OSVSVKLESFHGDY-JOYOIKCWSA-N	317.227	1.583	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCc1ccc(NC(=O)O)cc1	736401628	JSQFQYPHYUCNPN-UHFFFAOYSA-N	322.365	1.696	50	20	DDGD	
C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CC[C@@H](B(O)O)C1	585074471	AHPIXYGRHJPJRG-GXTWGEPZSA-N	319.210	1.827	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)COC1CCOCC1)c1ccccc1	735249028	NAOFUTYANOMOLA-OAHLLOKOSA-N	320.389	1.523	50	20	DDGD	
C[C@H]1C[C@@H]1c1ccc(CCC(=O)NNC(=O)Cc2cc[nH]n2)o1	730103137	YIDMPSSPBRCBKS-GWCFXTLKSA-N	316.361	1.449	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNc1ccc(C(=O)OC)cc1F	837209975	UPZXYANMKXEVBL-AWEZNQCLSA-N	323.368	1.930	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CN[C@H]2CCC[C@@H]3C[C@H]23)cc1	839195721	GBZLWIZRYXCSNG-ILXRZTDVSA-N	312.373	1.097	50	20	DDGD	
CC[C@H]1CCCC[C@H]1CNC(=O)c1cc(B(O)O)ccc1F	584995119	IZJRQELNMNRIEN-RYUDHWBXSA-N	307.174	1.452	50	20	DDGD	
CCN(C)C(=O)[C@@H](NS(=O)(=O)CCCCCl)C(C)C	831975671	GQCSDGUXKBBGII-NSHDSACASA-N	312.863	1.428	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)C[C@@H]1C[C@H]2CC[C@H]1O2	836710551	VQCSMSDQQQNVMM-RRFJBIMHSA-N	318.373	1.308	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)nc(C)n1	736719569	XSQKKZPGXOXXBP-LBPRGKRZSA-N	319.409	1.574	50	20	DDGD	
CC[C@@H]1CN(C(=O)[C@]2(C)C[C@@H]2Br)C[C@H](C)[S@]1=O	908145435	MZMFEYZABIMDJV-ILHXYGGVSA-N	322.268	1.918	50	20	DDGD	
CC(C)c1ccc(NNC(=O)[C@@H](C)N2C(=O)CCC2=O)cc1	837055683	LGKBCYMPKCRTFM-LLVKDONJSA-N	303.362	1.791	50	20	DDGD	
C=C(C)CCNC(=O)NNC(=O)COc1ccc(C)c(C)c1	838661070	RIYPOVLKANTUQG-UHFFFAOYSA-N	305.378	1.979	50	20	DDGD	
CCCc1ccc(C(C)=NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1	730576618	IMVUCGNOLPXODA-OAHLLOKOSA-N	322.430	1.914	50	20	DDGD	
OB(O)c1cccc(CNc2ccc3c(c2)[C@@H](O)CCCC3)c1	585046962	DYEGAQMZOJOISL-SFHVURJKSA-N	311.190	1.738	50	20	DDGD	
Cc1c(NCc2cccc(B(O)O)c2)cnn1CCC(C)C	585034840	OHKNMDCKIYCFDQ-UHFFFAOYSA-N	301.199	1.530	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CC2(CCC2)c2ccccc21	584981617	YYGDDGZLCKGVMZ-UHFFFAOYSA-N	307.158	1.449	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)Cc1ccc(OC)c(F)c1	732197283	NEPQSROKDKQBCQ-SNVBAGLBSA-N	311.357	1.212	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1nc(-c2cccnc2)no1)[C@H](C)N	831890581	NFXDAUOOCINJSO-GXSJLCMTSA-N	304.354	1.194	50	20	DDGD	
Cc1ccc(NNC(=O)Nc2ccc(-c3nn[nH]n3)cc2)nc1	737362120	NPHUNBMPLNSASX-UHFFFAOYSA-N	310.321	1.719	50	20	DDGD	
C[C@]1(C(=O)NCCOCC(F)(F)F)C[C@@H]1Br	905835871	UUJOEWDBAIZIBR-XPUUQOCRSA-N	304.106	1.855	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNc2cccc([N+](=O)[O-])c2C)CC1=O	839707561	BGWISZFJCIMHPP-NSHDSACASA-N	320.349	1.605	50	20	DDGD	
Cc1cc(C)c(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(C)n1	831823432	YZINUAAZAMZWGI-NEPJUHHUSA-N	306.366	1.585	50	20	DDGD	
OB(O)c1cccc(CN[C@H](CC(F)F)c2ccccc2)c1	585048937	YMCLUMXPBAXQRL-OAHLLOKOSA-N	305.133	1.853	50	20	DDGD	
C#CCOc1ccc(C(C)=NNC(=O)CN2CCCC2=O)cc1	733202279	ZLSDUSZLVSQJFN-UHFFFAOYSA-N	313.357	1.161	50	20	DDGD	
COc1cc(C=NNC(N)=O)ccc1OCc1ccncc1	912773702	OLVURFYYACIBFA-UHFFFAOYSA-N	300.318	1.671	50	20	DDGD	
Cc1nn(C(C)(C)C)c(C)c1C(=O)NNC(=O)c1ccncc1	916091707	FXIWRWOOWMWVCO-UHFFFAOYSA-N	315.377	1.725	50	20	DDGD	
CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)NN(C)C[C@@H](C)O	910161334	XCHOFPLEEQNPBV-IAQYHMDHSA-N	317.430	1.271	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)C(C)(C)Oc1ccc(Cl)cc1	910176125	YKOOPOOVEQENLG-SNVBAGLBSA-N	300.786	1.841	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H](C)C[C@H](C)N)c1F	831223711	HJFPAEKVNFZKFT-DTWKUNHWSA-N	312.345	1.364	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1ccccc1OC1CCCC1	837368162	YWAGYRVEIGSLJD-UHFFFAOYSA-N	305.378	1.901	50	20	DDGD	
CCCC[C@@H](OC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)OC	837971101	LUHFQKYODZSHHS-BWODNOAJSA-N	305.334	1.602	50	20	DDGD	
CN1C(=O)CC[C@H]1C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	833774268	OCCAHTIGRZADGO-JTQLQIEISA-N	312.713	1.312	50	20	DDGD	
COc1cccc(NNC(=O)C2CCC(C(=O)N(C)C)CC2)n1	831882246	WRSAFHXONWQKIV-UHFFFAOYSA-N	320.393	1.428	50	20	DDGD	
Cc1nnc(-c2cccc(C(=O)NNC(=O)C3CCC3)c2)o1	746246778	NBGYDCFDJASQNI-UHFFFAOYSA-N	300.318	1.606	50	20	DDGD	
O=C1CCC(=NNC(=O)[C@@H]2CCCCO2)c2ccccc2N1	834984806	DLJLRNAOZMENLZ-AWEZNQCLSA-N	301.346	1.808	50	20	DDGD	
CCc1ccc(NNC(=O)NCC2(C(=O)O)CCOCC2)cc1	831058016	XIWTWTZWEYPBMS-UHFFFAOYSA-N	321.377	1.757	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@@H](C)OC2(CCC2)C1	830733915	DYFJIFMQBWHPMC-OLZOCXBDSA-N	311.426	1.212	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc(OC)cc1OC	740762370	NQUDYCHESZVUIA-UHFFFAOYSA-N	321.377	1.459	50	20	DDGD	
COc1cc(CNC(=O)NNC(=O)C(C)C)ccc1OC(C)C	916392973	CIIPXACCCUXACI-UHFFFAOYSA-N	323.393	1.969	50	20	DDGD	
O=C(NN=Cc1cccc(O)c1O)c1cc([N+](=O)[O-])ccc1O	741773499	FGFWBSQTHAPWAD-UHFFFAOYSA-N	317.257	1.476	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(N(C)C)cc1C	841627778	CCPGLCZVYMNXTK-CYBMUJFWSA-N	307.394	1.563	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1	913685162	FBBOIVWABJBYBY-LFUXOTAPSA-N	311.385	1.916	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1ccccc1OC(C)C	748717194	AJCKRZSENILBEA-UHFFFAOYSA-N	323.393	1.383	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc2ccc(F)cc2c1	843660366	KBUPHRVYBGMQHJ-RNCFNFMXSA-N	317.320	1.560	50	20	DDGD	
O=C(NNC(=O)N1CC(F)C1)c1cccc(Br)c1	841582858	VFAIXLLBZJTUAI-UHFFFAOYSA-N	316.130	1.457	50	20	DDGD	
COC(=O)C12CC(C(=O)NNc3cnnc4ccccc34)(C1)C2	844134042	GDCPAXJGCWYYOL-UHFFFAOYSA-N	312.329	1.416	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)[C@H]1C[C@H]1c1cccc(F)c1	915513028	UGSHRLJIUFVEKT-QWRGUYRKSA-N	302.327	1.214	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NCc2ccon2)cc1	747510786	DHUCXIJZCQNJBB-UHFFFAOYSA-N	318.333	1.146	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCC(C)(C)N)c2ccccc2n1	841949579	DJVNHXSVWBPGMS-UHFFFAOYSA-N	315.377	1.225	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@@H](C)CN2CCOCC2)cc1	916362795	ORADLTISADFJAQ-ZDUSSCGKSA-N	305.378	1.114	50	20	DDGD	
CC(C)[C@@]1(C)C[C@H]1NC(=O)NNc1ccc(-n2ccnc2)nn1	841590040	OREBCWGLNCCVSE-IAQYHMDHSA-N	315.381	1.723	50	20	DDGD	
Cc1ccc(F)c(C(=O)NN(C)C[C@@H](C)O)c1Br	910152491	MKWIARHKHOSHGS-MRVPVSSYSA-N	319.174	1.854	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@H]1CCCN2CCCC[C@H]12	847444740	KHFKHXHNSDORBT-VHSXEESVSA-N	322.331	1.286	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc(-c2ccccn2)no1	746166888	JMIPJPFYQMNDPA-UHFFFAOYSA-N	301.306	1.091	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CC(N2CC[C@@H](O)C2)C1	846515668	OOQLDGMPVJRGNA-GHMZBOCLSA-N	319.243	1.073	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1[N+](=O)[O-]	843653880	OULOSQVZHWAWMC-SKDRFNHKSA-N	321.333	1.343	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCCOCC1CCOCC1	740918924	VEDJRUIKFRULBL-UHFFFAOYSA-N	315.414	1.196	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)COC/C=C/c1ccccc1	843652094	HSLZYCQUSJTPTD-MNOINKQASA-N	318.373	1.289	50	20	DDGD	
C[C@@H](Sc1nncn1C)C(=O)NNc1cccc(C#N)c1	748035381	YQWNHUHSTSJDHS-SECBINFHSA-N	302.363	1.311	50	20	DDGD	
COc1ccccc1SCC(=O)NN=Cc1cc(C)n(C)n1	841634016	ZRHPGTPZTIJPKF-UHFFFAOYSA-N	318.402	1.980	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1sc(N2CCCC2)nc1Cl	746592781	FYEJCJYJSAOGAX-UHFFFAOYSA-N	317.802	1.313	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1cccc(OC)c1F	848449850	CGCBWBUISSJLRM-UHFFFAOYSA-N	319.358	1.127	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cc1ccncc1)c1ccccc1	747673535	XLTOLILVRXDCCD-GFCCVEGCSA-N	314.414	1.881	50	20	DDGD	
C=CCSCCNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	745281556	SYSSYOMBAKBPMA-UHFFFAOYSA-N	324.362	1.458	50	20	DDGD	
CCN1CCC(=NNC(=O)C(=O)Nc2ccc(C)cc2)[C@@H](C)C1	741462846	WVKNWCZCMZECPH-ZDUSSCGKSA-N	316.405	1.767	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1[N+](=O)[O-]	843649961	YCCYEZRDTAVDRZ-GXSJLCMTSA-N	307.306	1.089	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CCN[C@@H](C)C2)c1	841988324	SECGRMMZPCNPMZ-CMPLNLGQSA-N	306.366	1.240	50	20	DDGD	
CC(=NNC(=O)c1cccn1C)c1ccc([S@@](C)=O)cc1	746368634	MSBGIKAZMDMHAC-OAQYLSRUSA-N	303.387	1.917	50	20	DDGD	
CSCC1(CCNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CC1	852394102	MJPIQVYYBPRLLV-GHMZBOCLSA-N	315.439	1.275	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCCCc1ccco1	852680132	MQPFUDWTURIKFH-UHFFFAOYSA-N	319.336	1.924	50	20	DDGD	
CN(NC(=O)Cc1ccc(NC(=O)C(F)(F)F)cc1)C1CC1	854983625	OGIVUOFCOGDHFG-UHFFFAOYSA-N	315.295	1.855	50	20	DDGD	
C[C@@H](CO[C@@H]1CCOC1)NC(=O)NNc1ccc(Cl)cn1	852195755	KGHRIUHRELNBOR-GXSJLCMTSA-N	314.773	1.555	50	20	DDGD	
CC1(C)C(=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)[C@H]2CCC[C@H]21	853292024	NJMDCNLBBRSVQV-OUAUKWLOSA-N	313.423	1.285	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(Cl)c(N2CCCC2=O)c1	920858904	UMMRVUWDQDMEBS-UHFFFAOYSA-N	324.768	1.431	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@](C)(O)C2CCC2)c1C	855624323	JPSCHYNTSCIRAW-INIZCTEOSA-N	306.362	1.776	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2CCc3nnnn3CC2)cc1F	854183901	FWQHETSYQSRVNV-JTQLQIEISA-N	319.344	1.152	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)NCCCSC#N)C2	854366875	ITHNDSLYIUGFGX-SRVKXCTJSA-N	309.391	1.350	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NC[C@]1(C)C[C@H]1Br	857689419	LAPJNJVMXNDVCJ-HQJQHLMTSA-N	307.188	1.411	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncc(Cl)cn1)C(C)(C)CN(C)C	856877863	WPTNMYNXSRBTKJ-SECBINFHSA-N	314.821	1.732	50	20	DDGD	
CCc1nc(CC(=O)NNC(=O)OCC(F)(F)F)cs1	856024356	SAURRLQQJHGIMR-UHFFFAOYSA-N	311.285	1.568	50	20	DDGD	
Cc1coc(C)c1C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855833189	OPIZZNXURHVBST-UHFFFAOYSA-N	323.393	1.600	50	20	DDGD	
CC(Cn1cncn1)=NNC(=O)[C@H](C)Oc1ccccc1F	853274324	MIEPPRFOCVOGMH-NSHDSACASA-N	305.313	1.377	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1cnn2ccccc12	755193377	DNHAQOSKNZHESB-UHFFFAOYSA-N	322.250	1.900	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(Cl)cn1)S(=O)(=O)C1CC1	856090973	BBWJACAOHAVPEF-UHFFFAOYSA-N	317.798	1.534	50	20	DDGD	
CC(=NNC(=O)c1cccc(C(=O)O)c1)C(C)(C)n1cncn1	853425740	ILQSHBXFVKUYHS-UHFFFAOYSA-N	315.333	1.517	50	20	DDGD	
CC(CC1CCC1)=NNC(=O)CSc1nnc(O)nc1O	758374148	OWEPOOUZBPYWQG-UHFFFAOYSA-N	311.367	1.057	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(COC(C)(C)C)cc1	757602580	ADRRQMWBAVBQPH-UHFFFAOYSA-N	309.366	1.801	50	20	DDGD	
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NNC(=O)CC(C)C)C1	750296714	KMGPRJGSILAHGZ-DCVWQXJKSA-N	317.455	1.443	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@H]2CCO)C[C@H]1Br	856952674	MBFLCELZTZZYKW-HOSYDEDBSA-N	305.216	1.716	50	20	DDGD	
O=C(Cc1cc(Cl)cc2c1OCC2)NNc1ncc(F)cn1	755637105	BXHPPWBSMQRQPG-UHFFFAOYSA-N	322.727	1.890	50	20	DDGD	
Cc1cc(F)c2c(c1)C(=NNC(=O)c1cc(C)[nH]n1)C(=O)N2	764793646	QTPRDFVROLDVBF-UHFFFAOYSA-N	301.281	1.252	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]21	762622759	CDTXECCXZMPBSO-UTLUCORTSA-N	303.453	1.352	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H]2CCN2C2CCCC2)c1	862468327	HKQSHJPYBLMOCM-GFCCVEGCSA-N	307.419	1.834	50	20	DDGD	
C[C@H](NNC(=O)c1cc2ccccc2c(=O)n1C)C(F)(F)F	862320195	PQTNUQIKGKHAJR-QMMMGPOBSA-N	313.279	1.724	50	20	DDGD	
CC(C)(C)c1csc(NC(=O)NNC(=O)c2cn[nH]c2)n1	860288822	ZIBNALWBFMHVLO-UHFFFAOYSA-N	308.367	1.630	50	20	DDGD	
CC1(C)CC(=NNC(=O)c2cn[nH]c2)c2ccc(O)cc2O1	863154213	RQZFMLSXQQPWNW-UHFFFAOYSA-N	300.318	1.811	50	20	DDGD	
COc1nccc(NC(=O)NNCC(F)(F)C(F)(F)F)n1	860975714	JJUCPNVZDQDHGA-UHFFFAOYSA-N	315.202	1.309	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)n1	862524492	MFUDLJANWAFOID-VIFPVBQESA-N	316.283	1.244	50	20	DDGD	
C[C@@H](O)c1cn(CC(=O)NNc2ccc(F)c(Cl)c2)nn1	863080909	RQNNJKGLZXUOLN-SSDOTTSWSA-N	313.720	1.267	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCc1nc(C(F)F)no1	867427797	ZABQAKPRUYYXGM-UHFFFAOYSA-N	317.745	1.692	50	20	DDGD	
CCCOc1cc(OC)ccc1C(=O)NNC(=O)c1cn[nH]c1	862469721	AVMAGTSJTVYXIR-UHFFFAOYSA-N	318.333	1.282	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cn(C)nc1C(C)(C)C	769587213	ZRSKILANFZRLDR-LLVKDONJSA-N	310.398	1.219	50	20	DDGD	
Cc1cccc2sc(NNC(=O)NCC[S@@](C)=O)nc12	868266228	PLCRNFUYXMTUIF-HXUWFJFHSA-N	312.420	1.609	50	20	DDGD	
CCNC(=O)N(C)N=Cc1csc(N(C(C)=O)C2CC2)n1	769594569	SAWGECUBTTVSTH-UHFFFAOYSA-N	309.395	1.654	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)CNc2ccccc2)CCC1=O	763496493	HKPZYNNXJRNZHL-NWDGAFQWSA-N	303.362	1.251	50	20	DDGD	
CC(=NNC(=O)c1cn[nH]c1)c1ccc(N2CCCC2)cc1O	863154382	BWZOZRFYJBAMTH-UHFFFAOYSA-N	313.361	1.870	50	20	DDGD	
COc1cccc(CN2CCN(S(=O)(=O)CCl)CC2)c1	867705710	PJVOVVOVFAFNCM-UHFFFAOYSA-N	318.826	1.339	50	20	DDGD	
COc1cccc(NNC(=O)c2ccnn2CC2CCC2)n1	867286836	KOYRONLFEAEYIX-UHFFFAOYSA-N	301.350	1.844	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)cc[nH]1	862512329	RCKMNMZBNHGGGR-GFCCVEGCSA-N	306.366	1.264	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(C(N)=O)o2)nn1	1116344703	ODQROSMEFLZCDQ-UHFFFAOYSA-N	303.322	1.223	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)Cc2nonc2C)cc1C	873762307	UBDLVSHKECDIJL-UHFFFAOYSA-N	319.390	1.555	50	20	DDGD	
N#CCc1ccnc(NC(=O)NNCC(F)(F)C(F)(F)F)c1	871736303	GHKLFDIGPQPQMX-UHFFFAOYSA-N	323.225	1.971	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cc(C)c(N(C)C)cc1C#N	879590781	DQLWHRFHRSQLPK-UHFFFAOYSA-N	305.338	1.667	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)C(C)(C)C)c1ccc(OC)cc1	774816832	WTHHZNNJDIWVCZ-CQSZACIVSA-N	321.421	1.929	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2ccc(C(F)(F)F)cn2)C1=O	775264323	KBDQVSJTJHZEOK-MRVPVSSYSA-N	302.256	1.022	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)[C@@H](C)C2)cc1	1116413646	DQDXPGNJIILVJS-JQWIXIFHSA-N	304.346	1.462	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ncc(C(N)=O)cc2Cl)cc1	1116412986	ACLHGQPCZWMIRP-UHFFFAOYSA-N	315.720	1.462	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1c(C)nn(C)c1C	777827323	BLZJSGLCMPUBGT-UHFFFAOYSA-N	302.334	1.580	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1	878676925	DWAPJGXCAKXBGV-UHFFFAOYSA-N	322.409	1.748	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc2ccccc2c1	771882196	NPCBJXUTFXXACP-NSHDSACASA-N	314.341	1.943	50	20	DDGD	
O=C(CCc1cccc2c1OCO2)NNC(=O)c1cccnc1	770201791	DCKGBNWHWDWMIG-UHFFFAOYSA-N	313.313	1.204	50	20	DDGD	
O=C(CN(CC1CC1)CC1CC1)NNC(=O)c1ccccc1	777615381	IASSWHJSFJVPCO-UHFFFAOYSA-N	301.390	1.570	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1c(C)cccc1Cl	879212997	KGFWCVLMSOLTBN-UHFFFAOYSA-N	315.757	1.464	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)C2CCOCC2)c(C)cc1C	879453602	KVNZBBUHVIRHBW-UHFFFAOYSA-N	321.377	1.891	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)c1ccccc1	772296110	LZEMGWLINDDTLG-CHWSQXEVSA-N	320.389	1.915	50	20	DDGD	
O=C(CN1CCC[C@@H]1c1ccccn1)NNC(=O)c1ccccc1	777600375	XXJAMJHASKSBPV-MRXNPFEDSA-N	324.384	1.680	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](c1ccccc1)C1CC1	772229880	DKJFBIBGVUMULK-IAQYHMDHSA-N	318.373	1.669	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)Nc1ccncn1	770767360	DXGUIZDFORJTDP-UHFFFAOYSA-N	321.724	1.605	50	20	DDGD	
Cc1ccc(C(N)=O)cc1NC(=O)NNc1ncc(F)cn1	775580176	HKAAZVRNANRUNR-UHFFFAOYSA-N	304.285	1.172	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@@H]1c1ccccc1)c1cccnn1	882059144	KRHLGHMPWCVVNP-ZIAGYGMSSA-N	310.357	1.822	50	20	DDGD	
COc1ccccc1C1(C(=O)NNC(=O)C2CCOCC2)CC1	883062623	KZGFTOYLNIKYSA-UHFFFAOYSA-N	318.373	1.301	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H]1CC[C@@H]2SCCS[C@@H]21	882030448	TVWZJAMVXSUFGQ-KXUCPTDWSA-N	315.913	1.914	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CNC(=O)CC(C)(C)C	777773002	FLVQTWHDUKWRNY-UHFFFAOYSA-N	321.377	1.469	50	20	DDGD	
CC(C[C@H](C)CC(C)C)=NNC(=O)[C@H]1CCS(=O)(=O)C1	779769248	SVGNDCFNJKOCMR-YPMHNXCESA-N	302.440	1.986	50	20	DDGD	
O=C1CCCCN1C1CCN(S(=O)(=O)CCCCl)CC1	881993614	VYJMAYHVMSKHQT-UHFFFAOYSA-N	322.858	1.422	50	20	DDGD	
COc1ccc(CCNS(=O)(=O)CCCCl)c(OC)c1	881842109	QEBUAWMTARDHRG-UHFFFAOYSA-N	321.826	1.795	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)c1ccc(OC)c(Cl)c1	887146545	BSEZGJHLILOGRA-UHFFFAOYSA-N	322.748	1.482	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@H](C)C(=O)c1cccc(F)c1	887144495	OVZTYDSEOBVPGN-LBPRGKRZSA-N	318.348	1.986	50	20	DDGD	
Cn1cc(N2CCN(C(=O)C3CCC(Cl)CC3)CC2)cn1	1123634031	GCXWGKVYAPWNAA-UHFFFAOYSA-N	310.829	1.866	50	20	DDGD	
COCC(=O)N(C)CC(=O)NNc1ccc(Cl)cc1F	885107976	TVIVGXPLQPKBEC-UHFFFAOYSA-N	303.721	1.027	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C[C@H](NC(C)=O)c1cccs1	780711659	QYAWLFOIZKSSGZ-JTQLQIEISA-N	312.395	1.008	50	20	DDGD	
Cc1nc(NC(=O)NNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)no1	781112111	PXKBTRFEJINVRE-XHNCKOQMSA-N	310.383	1.067	50	20	DDGD	
O=C(/C=C\c1nccs1)NNc1ccc(-n2ccnc2)nn1	1123724946	PIOOMZBKOLZTMO-ARJAWSKDSA-N	313.346	1.275	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@@H]1CC[C@H](C)C1	780787333	VVEBSIBZRVBTNI-WCQYABFASA-N	305.378	1.757	50	20	DDGD	
Cc1cccnc1C(F)(F)C(=O)NNC(=S)NC(C)(C)C	899995969	KSGMOPNDLPZSTL-UHFFFAOYSA-N	316.377	1.776	50	20	DDGD	
COc1cc(C(=O)NNc2ncccc2C)cc(OC)c1O	791217755	YQUDBJGHYAGXPN-UHFFFAOYSA-N	303.318	1.870	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCc2c(C)noc2C)n1	792847927	FUHWNWAMSNGNPI-UHFFFAOYSA-N	303.322	1.139	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])s2)n1	794072094	JPIJZVVXEZZMIV-UHFFFAOYSA-N	306.303	1.435	50	20	DDGD	
O=C(NNc1cnccn1)c1nc(Br)ccc1F	792332735	MHOJODDBNHCCHD-UHFFFAOYSA-N	312.102	1.530	50	20	DDGD	
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NNc1ccc(Cl)nn1	798095987	WLQGJRFWXOXWJQ-BXKDBHETSA-N	311.773	1.737	50	20	DDGD	
Cn1cnc2cc(C(=O)NNc3nc4ccccn4n3)ccc21	791249808	WWIKZSNVLGCNMA-UHFFFAOYSA-N	307.317	1.373	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1ccc(OCCC(=O)O)cc1	794958086	KTQBACNHCLOFIJ-LCYFTJDESA-N	324.358	1.296	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)c2cccc3ncccc23)cn1	796238616	LUGVRQNLMPBEAP-UHFFFAOYSA-N	321.340	1.746	50	20	DDGD	
Cc1cccnc1NNC(=O)COc1ccc(C(N)=O)cc1	791224719	GHNQBVCXOSZNGC-UHFFFAOYSA-N	300.318	1.011	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC(F)(F)C1)c1ccc(Cl)nc1	794958205	YCFCTRSTDXMJEQ-ZETCQYMHSA-N	303.696	1.931	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2ccccc2CC#N)n1	794087811	RZKPJGMSVHVXPZ-UHFFFAOYSA-N	308.341	1.460	50	20	DDGD	
N#Cc1cccc(-c2cc(C(=O)NNc3cccnn3)on2)c1	790018658	HPQMSGIMGNCCBR-UHFFFAOYSA-N	306.285	1.760	50	20	DDGD	
COCCC(=NNC(=O)c1cccc(C)n1)C1CCOCC1	794565142	DZUBAKAARDWLLZ-UHFFFAOYSA-N	305.378	1.939	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)CN1Cc2ccccc2C1	792635363	CHTWYOCNSVVMBG-CQSZACIVSA-N	319.405	1.546	50	20	DDGD	
COCc1cc(C=NNC(=O)CCN2CCCCCC2)no1	794883035	WADOEKPWNYFRIQ-UHFFFAOYSA-N	308.382	1.537	50	20	DDGD	
Cc1cc(C)n2ncc(C(=O)NNC(=O)OC(C)(C)C)c2n1	1317792679	FQAXRCKNHBELBE-UHFFFAOYSA-N	305.338	1.516	50	20	DDGD	
CN(C)[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccccc1F	1321721330	QDVIZEWQAMNVFI-ZIAGYGMSSA-N	322.384	1.643	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cncc3ccccc23)ncn1	1320888947	ODXSCIQSKUYHAP-UHFFFAOYSA-N	322.328	1.415	50	20	DDGD	
C#C[C@H](NC(=O)NNc1ccc(C(C)(C)C)nn1)[C@@H]1CCCO1	1320507234	UCWNKRMAANAPBV-RYUDHWBXSA-N	317.393	1.581	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccccc1OCC1CC1	1251455620	JXSBYLOOULUCQF-UHFFFAOYSA-N	307.419	1.993	50	20	DDGD	
O=C(CCO)NN=Cc1cc([N+](=O)[O-])ccc1OC(F)F	1322320486	MCNPBSIRUABESK-UHFFFAOYSA-N	303.221	1.029	50	20	DDGD	
C[C@]1(CNCc2ccc(S(C)(=O)=O)o2)C[C@H]1Br	1331336363	BDAGKFHEXVSXBR-MWLCHTKSSA-N	322.224	1.946	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)COc1ccc(C)cc1	1335987221	RMJFKHFBYSMKIC-UONOGXRCSA-N	306.362	1.336	50	20	DDGD	
CCCN1CCCC[C@@H]1C(=O)NNC(=O)NC1CCCCC1	1251355740	FCUGZODSAFLLTJ-CQSZACIVSA-N	310.442	1.914	50	20	DDGD	
CC1(C)C[C@H](C(=O)NNC(=O)COc2ccccc2O)CCO1	1337123931	LMAGUQMSTVZXSO-LLVKDONJSA-N	322.361	1.124	50	20	DDGD	
CCCn1ncc(C(=O)NNc2nc(C)cc(OC)n2)c1C	1337176543	KWFTYYIUWWYDHF-UHFFFAOYSA-N	304.354	1.465	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1ccc(F)c(F)c1C	1336817325	POIOYOZETUTLDH-UHFFFAOYSA-N	317.292	1.089	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H](NC(=O)NNC(=O)c2ccccc2F)C1	1333545373	QWBLPZNICPQTCQ-ZJUUUORDSA-N	323.324	1.111	50	20	DDGD	
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NNc1ccn(C)n1	1348606497	AOMRTJOHIMYXEQ-OAHLLOKOSA-N	313.361	1.838	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCC[C@H]2OC)c1F	1262628272	PTUFLOGMOWMPEA-JOYOIKCWSA-N	310.325	1.871	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCC[C@H](OC)C2)cc1	1343851688	WHYVGVOEQWRHDD-JSGCOSHPSA-N	306.362	1.661	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H]1C[C@H]1c1ccncc1)C1CC1	1348851846	CBCWHQJCDGMZEZ-TVYUQYBPSA-N	304.419	1.479	50	20	DDGD	
Cc1cc(=NC(=O)NNCC(F)(F)C(F)(F)F)cc(C)[nH]1	1348284517	XBRHTMNAPFPUIA-UHFFFAOYSA-N	312.242	1.944	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccn(CCC(F)(F)F)n1	1353060797	JSJYHCRUPYRBSK-UHFFFAOYSA-N	316.283	1.400	50	20	DDGD	
CCn1nc(C=NNC(=O)C2CCOCC2)c2ccccc21	1353089807	LUFHSEVZZZTQEW-UHFFFAOYSA-N	300.362	1.933	50	20	DDGD	
CC[C@H](C)n1nccc1C(=O)NNC(=O)c1ccccc1OC	1517193071	HACRGKRQHHQKDP-NSHDSACASA-N	316.361	1.938	50	20	DDGD	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNc1cccc(C(F)(F)F)n1	1605023279	MEUATUYJPVOBKK-KBUNVGBDSA-N	303.240	1.654	50	20	DDGD	
CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1cn(C)c(C)n1	1602906019	AGQJVFSORLQEDH-UHFFFAOYSA-N	324.348	1.063	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2(C(=O)O)CC3(CCC3)C2)c(C)o1	1607580082	IJKZNUCWMXBKPK-UHFFFAOYSA-N	320.345	1.693	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)C1C[C@H]2COC[C@@H](C1)C2=O	1602471722	NURWZDHFRSFAHW-FGWVZKOKSA-N	318.329	1.070	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2C[C@@H]3CCC[C@]3(C(=O)O)C2)cn1	1608108888	FIGBSTXSMGLIKN-FHAOKNKQSA-N	314.345	1.040	50	20	DDGD	
CCCCn1ncc(C(=O)NNc2ncccc2C(=O)O)c1C	1603652699	BCRHMVPRCSHEPD-UHFFFAOYSA-N	317.349	1.842	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2CCCNC2=O)cc1Cl	1602385035	PHMODGABDWOKGB-VIFPVBQESA-N	311.725	1.008	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)c1c(C)[nH]c(C(=O)O)c1C	1600590063	REZYZOJRKIFADL-UHFFFAOYSA-N	316.317	1.108	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H](C)c2cn[nH]c2)cccc1C(=O)O	1607553406	SABQZQFPGJBIFE-VIFPVBQESA-N	303.322	1.804	50	20	DDGD	
O=C(NNC(=O)C12CCC(C(=O)O)(CC1)CC2)[C@@H]1CCCCO1	1601553498	JZFZBFROHZONCC-SOISORPOSA-N	324.377	1.128	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccc3c(c2)CCOC3)nc1	1608904664	COKFBQYLBJRYLB-UHFFFAOYSA-N	313.313	1.609	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21	1606528370	CFNLAQZDDHGXAE-BFHYXJOUSA-N	309.325	1.809	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccc(-c2nn[nH]n2)cc1	1602907284	WUBSMTXVVPMCTK-ZWNOBZJWSA-N	314.349	1.132	50	20	DDGD	
O=C(O)CCCCC(=O)NNC(=O)c1ccc(Cl)cc1O	1608710072	SEFLUUMMTXVWJE-UHFFFAOYSA-N	314.725	1.452	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)C3(C(=O)O)CC3)cc2C1	1589365866	ZJABPBUYGYNBBE-QMMMGPOBSA-N	322.386	1.499	50	20	DDGD	
O=C(C1=COCC1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843367113	HHLCRLCFRFCGME-SNVBAGLBSA-N	302.733	1.028	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2ccc(C(=O)O)cc2F)CCN1	1594258510	VHFHHZUODCHPNN-SCZZXKLOSA-N	310.329	1.291	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H]2CC=C(C(=O)O)C2)cc1	1597500913	CTFIPMOXGMHVBX-ZDUSSCGKSA-N	317.345	1.366	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H](O)CC)C2	1841666919	XYEFPRNVZIZCLL-VXGBXAGGSA-N	316.829	1.368	50	20	DDGD	
CCn1nccc1CNC(=O)NNc1ccc(C(=O)O)cc1F	1597965418	GMRCSGGWMLNCEY-UHFFFAOYSA-N	321.312	1.567	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CC[C@@](C(=O)O)(C(F)(F)F)C1	1596859712	GIXYBJMWCJSKIK-LXSSAFMLSA-N	306.240	1.296	50	20	DDGD	
CCN(CC)CCNC(=O)NNc1ccc(CC(=O)O)cc1	1596268985	VNOHRHJBDFIEEW-UHFFFAOYSA-N	308.382	1.282	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)C#CC2CC2)C1	1841542296	DKPRHRGPVQBYLR-CYBMUJFWSA-N	308.809	1.621	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CC[C@@H]2C(=O)O)c1F	1593898250	RLROTCKMYUAHFH-SFYZADRCSA-N	310.281	1.166	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cccc(C(=O)O)n1	1592040068	ZLYNRGPPCHIWPX-UHFFFAOYSA-N	301.306	1.450	50	20	DDGD	
COCC1(C(=O)NNc2ccc(C)c(C(=O)O)c2)CCOCC1	1599186196	HAQNOBZSWRKFBW-UHFFFAOYSA-N	322.361	1.580	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1cc2[nH]c(C(=O)O)cc2o1	1776115595	DXYMQPOZSRAMRC-YWEYNIOJSA-N	304.258	1.556	50	20	DDGD	
O=C(NCC(F)(F)F)NN=Cc1ccc(C(=O)O)c(F)c1	1776036490	QLSADJMLPHSJFG-UHFFFAOYSA-N	307.203	1.719	50	20	DDGD	
CC(C)CN1CC[C@H](CNC(=O)NNC(=O)OC(C)(C)C)C1	150761670	QNOUOOZJFMLRNP-GFCCVEGCSA-N	314.430	1.703	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCNC(=O)CC(C)C)s1	161737328	JJPXOPRINCSNTK-UHFFFAOYSA-N	311.407	1.370	50	20	DDGD	
C/C(=C/c1ccccc1Cl)C(=O)NNC(=O)C(=O)NC1CC1	160283774	HKMGIRQNIBVRRG-HJWRWDBZSA-N	321.764	1.169	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc3c(F)cccc3[nH]2)[nH]n1	151170183	KAQXLKPUMNMGEC-UHFFFAOYSA-N	301.281	1.413	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NNc1cccc(Br)c1	152226041	HEKBUHGWRQUSOB-VHSXEESVSA-N	313.151	1.701	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)cc1C	156887106	NUTAITMMVHBTBJ-UHFFFAOYSA-N	315.329	1.087	50	20	DDGD	
CCN(CC)CCCN(CC)S(=O)(=O)CBr	230728545	GPWYWBZDHPAPNP-UHFFFAOYSA-N	315.277	1.722	50	20	DDGD	
O=C(O)CCSSCCNC(=O)[C@@H]1CCCCC(=O)N1	2088604202	YWZZGCZIERKGPF-VIFPVBQESA-N	320.436	1.018	50	20	DDGD	
CCc1noc2ncc(C(=O)NNC(=O)c3ccc(C)o3)cc12	175846594	XDTFSZZEEXKLQL-UHFFFAOYSA-N	314.301	1.761	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNC(=O)c2cccc(Cl)c2)c1	28404660	LBZXWKABXOISRK-UHFFFAOYSA-N	317.732	1.514	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1	110761665	OUFWKQAZLVASCC-NWDGAFQWSA-N	302.309	1.422	50	20	DDGD	
COc1cccc(CO[C@@H](C)C(=O)NNc2cnccn2)c1	114878171	OGASQOYHJATPRE-NSHDSACASA-N	302.334	1.534	50	20	DDGD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)Cc1ccccc1F	66784971	VQVAJGHBWPJBIA-AAEUAGOBSA-N	324.352	1.100	50	20	DDGD	
Cc1ccc(OCCCNC(=O)NNC(=O)c2ccc[nH]2)cc1	102025663	PMBXKIDZNWXNFH-UHFFFAOYSA-N	316.361	1.736	50	20	DDGD	
O=C(NNc1cnccn1)c1cc(Br)ccc1O	114879932	QVUVWDBLDRUAOH-UHFFFAOYSA-N	309.123	1.702	50	20	DDGD	
Cc1nn(CC(C)C)c(C)c1CCC(=O)NNC(=O)NC(C)C	63269849	KZCGQPFLSBAIKN-UHFFFAOYSA-N	323.441	1.827	50	20	DDGD	
CC(C(=O)NNC(=O)[C@H]1COc2ccccc2O1)=C1CCCC1	176499982	BKDSJDOEBWEYRR-OAHLLOKOSA-N	316.357	1.864	50	20	DDGD	
CCC1(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CCC1	176448884	XXIWBZJUFHHXNT-CYBMUJFWSA-N	304.346	1.554	50	20	DDGD	
O=C(NNc1cccnn1)N[C@H]1[C@H]2CCO[C@@H]2C12CCCC2	179265641	OBBSINJKBOSZNE-WXHSDQCUSA-N	303.366	1.450	50	20	DDGD	
Cc1ncc(/C=C/C(=O)NNC(=O)Cc2ccccc2F)s1	112246746	LABUZWSKELBUOO-VOTSOKGWSA-N	319.361	1.994	50	20	DDGD	
COc1ccc(F)cc1CC(=O)NNC(=O)c1cccnc1	186437607	ZQDXONAQXMIGOY-UHFFFAOYSA-N	303.293	1.233	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)N[C@H]1CCO[C@@H](C2CC2)C1	189997844	ZXCPFBCMKUSNNP-NWDGAFQWSA-N	316.365	1.313	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1ccc(-n2ccnc2)nc1	118498381	NRQBUWKVQJYOQX-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
Cc1nnc(NC(=O)NNC(=O)CCc2ccccc2)s1	170710311	SPRIKYZUGNQPCG-UHFFFAOYSA-N	305.363	1.632	50	20	DDGD	
COc1ccnc(C(=O)NNC(=O)Nc2ccccc2C)c1	116469223	CUGIWSZFTCHBSU-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@H]2C[C@H]2C)ccc1OC(C)C	24301149	RTINKOVOZZDDFE-PWSUYJOCSA-N	306.362	1.899	50	20	DDGD	
O=C(NNC(=O)c1cccnc1SC(F)F)c1cccnc1	302532822	IOKSIFJQDFIZKV-UHFFFAOYSA-N	324.312	1.866	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N1CCC[C@H](C)C1	123502584	UECOQLCCUIAAQX-NSHDSACASA-N	315.377	1.729	50	20	DDGD	
CS[C@H](C(=O)NNC(=O)c1ccncc1)c1ccccc1	172489792	BREAGBFWDQKQED-ZDUSSCGKSA-N	301.371	1.947	50	20	DDGD	
CN(C)CC(=O)NNC(=O)CCCc1c[nH]c2ccccc12	75653208	LOONEPWEROLFIQ-UHFFFAOYSA-N	302.378	1.200	50	20	DDGD	
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NNc1ncccn1	129320099	OCQKPZHZUAYLJU-CQSZACIVSA-N	311.345	1.895	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNC(=O)Cc1cccnc1	120618311	OYISKKAAJWKLEL-OLZOCXBDSA-N	315.398	1.945	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)N1CCc2c(Cl)cccc21	184500432	ZZPPYJFEUKAURC-UHFFFAOYSA-N	323.780	1.423	50	20	DDGD	
CC1=C(C(=O)NNC(=O)NCCc2cccs2)CCCO1	123170383	OJRKBASUJISKOT-UHFFFAOYSA-N	309.391	1.705	50	20	DDGD	
O=C(NNc1ccncc1)c1nn(-c2ccc(F)cc2)cc1O	180486562	BODPAEGCMVEXDU-UHFFFAOYSA-N	313.292	1.869	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1cc(-c2ccccc2)on1	187346999	AVSVKYGUXINYDJ-UHFFFAOYSA-N	303.322	1.056	50	20	DDGD	
C[C@@H]1CCC[C@@H](C)N(CC(=O)NNC(=O)c2ccccc2)C1	182348291	YMPKOEYRCPPSQU-ZIAGYGMSSA-N	303.406	1.958	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccccc2[N+](=O)[O-])c1C1CC1	139459949	ANZQUEKTNRXILU-UHFFFAOYSA-N	301.306	1.963	50	20	DDGD	
CCOCCCNC(=O)NNC(=O)Cc1c[nH]c2ccccc12	43024196	OPUFODVKVOTJIC-UHFFFAOYSA-N	318.377	1.467	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H](C)OC[C@H]1CCCO1	70780945	JDWJGHGPKPWWBA-QWHCGFSZSA-N	306.362	1.340	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2cc(Cl)ccn2)CN1C1CC1	181443570	HWKGIDHDKSHQHL-MWLCHTKSSA-N	309.801	1.986	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cc2ccc(Cl)cc2[nH]1	42968905	CUWYNECEZISLTC-LBPRGKRZSA-N	307.737	1.761	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)C(=O)Nc1cccnc1	190485481	FSVQIZTZKUBMRW-UHFFFAOYSA-N	310.235	1.581	50	20	DDGD	
CC(C)(CO)CCCNC(=O)NNC(=O)c1ccccc1F	86404855	YFRVVMLJNMZCSW-UHFFFAOYSA-N	311.357	1.568	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccn(-c2ccccc2Cl)n1	195186750	ALXVOQZDAGFERE-UHFFFAOYSA-N	307.741	1.442	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2ccncc2)[nH]c(C)c1C(C)=O	193778255	SYXSHTFYSMPIHZ-UHFFFAOYSA-N	314.345	1.558	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(Cn2ccnc2)cc1	132050985	LDNVPVKYSZLFJH-UHFFFAOYSA-N	324.344	1.487	50	20	DDGD	
CC(=O)NC1(C(=O)NNc2nc3ccccn3n2)CCCCC1	191897710	HGKSVGBLWRLEKC-UHFFFAOYSA-N	316.365	1.011	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNC(=O)c1ccc(Cl)nc1	92297613	JTJBSIPOYMMXAD-UHFFFAOYSA-N	307.741	1.106	50	20	DDGD	
Cn1cnnc1[C@@H]1CCCN1S(=O)(=O)CCCCCl	184476804	SRMSQWHBBYLHOQ-JTQLQIEISA-N	306.819	1.301	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H](C)[C@@H]2CCOC2)cccc1[N+](=O)[O-]	266729886	CQZGXTKNOCXRSC-WDEREUQCSA-N	308.338	1.954	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccccc1CN1CCOCC1	266814531	GOGRZNVIXNLFQW-UHFFFAOYSA-N	317.389	1.080	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)Cc2cccnc2)n1	268667791	ZQPZQVRSLMIMTI-UHFFFAOYSA-N	300.366	1.404	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCCOCC1CC1	264518791	UZEZWGKFLOMKIC-UHFFFAOYSA-N	306.366	1.757	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)[C@@H]1CC1(Cl)Cl	264796397	UJCMDFCNNJOFJK-ZETCQYMHSA-N	314.132	1.769	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN(C2CCCCC2)C1)c1ccccn1	267380695	UQPYOFRXXKGAGM-ZDUSSCGKSA-N	316.405	1.497	50	20	DDGD	
CCC[C@@H](NNC(=O)COc1ccccc1F)C(=O)OCC	266475127	OSKLEFIRVGOLIJ-GFCCVEGCSA-N	312.341	1.557	50	20	DDGD	
C=CC[C@@H](C)NC(=O)NNC(=O)[C@H]1COc2ccccc2O1	265423699	KNXMWWLXQNXBMA-ZWNOBZJWSA-N	305.334	1.121	50	20	DDGD	
CCOC(=O)C[C@H](C)CNC(=O)NNc1ccc(OC)cn1	275836351	BSJXSZZIWGSUOG-JTQLQIEISA-N	310.354	1.306	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)CC1(OC)CCC1	276727062	TVDWEDVOXDTIEP-UHFFFAOYSA-N	322.361	1.181	50	20	DDGD	
Cn1cc(-c2n[nH]cc2C(=O)NNC(=O)CC(C)(C)C)cn1	275511478	XKSFLIYQUXBWDB-UHFFFAOYSA-N	304.354	1.007	50	20	DDGD	
CON(C)C(=O)c1ccc(NC(=O)NNC(=O)CC2CC2)cc1	273368739	BXNULFDGQANVQA-UHFFFAOYSA-N	320.349	1.273	50	20	DDGD	
O=C(NN=c1nc(-c2ccccc2)[nH]o1)[C@@H]1CCCCCN1	363777730	JNGHQCTXGXDHGU-LBPRGKRZSA-N	301.350	1.134	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@H]1CCO[C@H](C)C1	271250215	KFROTZKQRMENPW-YPMHNXCESA-N	321.377	1.136	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(OC)ccc1OCC	276110448	ZZNLBXWABLDYAZ-UHFFFAOYSA-N	310.354	1.792	50	20	DDGD	
CC(Cl)(Cl)C(=O)NNC(=O)Cn1cnc2ccccc21	272057213	SUNKLHUMUUBSMJ-UHFFFAOYSA-N	315.160	1.378	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cn(CC(F)(F)F)nc1C	272689933	QCHDWGRBKSNKRX-UHFFFAOYSA-N	307.276	1.060	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc(C(=O)NC(C)C)cc1	271044634	GPGVHTZBKSFNKM-UHFFFAOYSA-N	305.378	1.632	50	20	DDGD	
C[C@H]1CC[C@@H](CCC(=O)NNc2ccc(-n3ccnc3)nn2)O1	278528328	CXEPGTMTJCQKNZ-RYUDHWBXSA-N	316.365	1.453	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2C[C@@H](C)OC(C)(C)C2)n1	279672978	NNICGFOTBHMZDW-LLVKDONJSA-N	306.366	1.244	50	20	DDGD	
CCN(C)C(=O)[C@@H](C)NC(=O)NNc1ncnc2ccsc12	277008693	XRTADPHEUFIBLG-MRVPVSSYSA-N	322.394	1.184	50	20	DDGD	
O=C(NNC(=O)c1c[nH]nc1-c1ccoc1)NC1CCCCC1	278974506	NZXLZRQZWXECRC-UHFFFAOYSA-N	317.349	1.946	50	20	DDGD	
CCCOc1ccc(/C=C/C(=O)NN(C)C(N)=O)cc1OC	272181775	LQKNPLQPNYUALN-SOFGYWHQSA-N	307.350	1.539	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CC23CCOCC3)c1	371587636	FTJZHKWUWBMHBK-CYBMUJFWSA-N	304.346	1.733	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc(OCCCOC)c1	276029620	LMTOYDKEOYQNOK-UHFFFAOYSA-N	324.381	1.800	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cccc2ccsc12	274249113	GPISRTVSWRWIOF-UHFFFAOYSA-N	305.359	1.588	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1F)C1CC1	280390657	KHYMFAAUMXZMDO-NSHDSACASA-N	300.717	1.665	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCc1nncn1CC	282959052	IJZBTJRNEOCEIJ-UHFFFAOYSA-N	302.382	1.995	50	20	DDGD	
COC(=O)N(C)NC(=O)Cc1ccc(F)c(Br)c1	286229640	FZOAFZSRXDZSBJ-UHFFFAOYSA-N	319.130	1.860	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@H]2CCOC[C@H]2C)cc1	287044637	TWJGMQQFNVSIKH-IUODEOHRSA-N	319.405	1.866	50	20	DDGD	
CCc1nn(C)cc1NC(=O)C(=O)NCCSSC	285056605	FFDUYOFXCSCRHQ-UHFFFAOYSA-N	302.425	1.048	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNC(=O)CCc1ccc(OC)cc1	286999471	DUIGUKJTXCBJKQ-MRXNPFEDSA-N	303.362	1.715	50	20	DDGD	
CCS[C@@H]1CCC[C@H]1NCC(=O)NNC(=O)c1ccccc1	286247906	SBKYQHIKLYXBHH-ZIAGYGMSSA-N	321.446	1.711	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)Cc2ncccc2F)cc1	802059971	ARWJXFGLCONIFH-UHFFFAOYSA-N	318.308	1.625	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)c1nc2cccnc2s1	801102583	YIDSGDQYJJGYNT-UHFFFAOYSA-N	316.317	1.905	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)cc1	803437403	LRZKXORBWGYGLJ-UHFFFAOYSA-N	322.324	1.384	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(-n2ccnc2)nn1)C1CCCC1	804952403	OGFBBQYMVSMOOM-LLVKDONJSA-N	300.366	1.932	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cc(Cl)ccc2O)n1	809991763	CKYREPVOMAKSBV-UHFFFAOYSA-N	316.704	1.387	50	20	DDGD	
COC(=O)NNC(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1	299332425	RHBCMDNVIATIFV-LLVKDONJSA-N	313.741	1.295	50	20	DDGD	
COC(=O)c1ccc(C(=O)NN(C)C(=O)OC(C)(C)C)cn1	297536627	DUIHJAAZSYJURO-UHFFFAOYSA-N	309.322	1.380	50	20	DDGD	
CC(C)NC(=O)/C(C#N)=C/c1cccc(O[C@H](C)C(=O)O)c1	299306532	FAUCUYYKUYSGES-ZTFCMROMSA-N	302.330	1.970	50	20	DDGD	
Cc1ccoc1CN(C)CC(=O)NNC(=O)c1ccccc1	292442100	XCQDKZGMWYAWDW-UHFFFAOYSA-N	301.346	1.481	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CNC(=O)c1cccc(F)c1	298296663	ICXPHAJNILCOKI-UHFFFAOYSA-N	311.313	1.111	50	20	DDGD	
CCn1ncc2cc(C(=O)NNC(=O)CC3CC3)c(C)nc21	294226032	REDOGIBPWMGUTN-UHFFFAOYSA-N	301.350	1.321	50	20	DDGD	
O=C(NCc1cc(F)ccc1F)NNC(=O)[C@@H]1CCCCO1	296664576	OWRRIPVKZAGMIM-LBPRGKRZSA-N	313.304	1.364	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H]1CCCN(c2ccccc2)C1=O	292669161	DGGOHKXUUPRSQW-AWEZNQCLSA-N	317.389	1.623	50	20	DDGD	
O=C(NCCCOCC1CC1)NNc1ncc(F)cc1F	297248941	ANDUYWAOUJVYNR-UHFFFAOYSA-N	300.309	1.803	50	20	DDGD	
CC(C)O[C@H](C(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccc1	295374769	KGOIWJLJVSEDQA-GJZGRUSLSA-N	320.389	1.869	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2ncc(C)o2)nc1C	291669666	CLPFCQRPDSAHFS-UHFFFAOYSA-N	305.294	1.015	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)[C@H]1CCCCC1(F)F	296539583	BIVHXBJDNKQCOY-SNVBAGLBSA-N	322.319	1.931	50	20	DDGD	
COc1cccc(-n2cc(C(=O)NNC(=O)CC(C)C)nn2)c1	294573619	VRQCPVHTFRLEPV-UHFFFAOYSA-N	317.349	1.083	50	20	DDGD	
COCCN(C)NC(=O)Cc1cc(Br)ccc1F	297203364	WIGPDASLDWZQEV-UHFFFAOYSA-N	319.174	1.740	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NNc1ncccc1F	804220321	VCVNWXSTECKZGZ-NSHDSACASA-N	308.357	1.701	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)nn1	809705912	DMTHJUFHKIPULF-UHFFFAOYSA-N	310.239	1.462	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1cnn(C)c1Cl	814764235	ULCPSPVCWOGWOZ-LLVKDONJSA-N	311.817	1.646	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2cc(C)n(C(C)C)n2)n1	817358900	UMSVLEABNQDLJB-UHFFFAOYSA-N	316.365	1.942	50	20	DDGD	
O=C(COc1cc(F)cc(F)c1)NNc1ncnc2[nH]cnc12	810424137	JMBCSLOQVHJPCH-UHFFFAOYSA-N	320.259	1.153	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=C1COc2cccc(Cl)c21	814695352	YFSHMXKELGYUSO-UHFFFAOYSA-O	302.741	1.540	50	20	DDGD	
CN1CC[C@@H](CNC(=O)[C@H](Br)C(C)(C)C)CC1=O	819619108	BUZVZJGVHNQIHD-KOLCDFICSA-N	319.243	1.781	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@@H]1C(=O)OCC1(C)C	819779175	UHERPLAGTBXRIK-HTQZYQBOSA-N	306.200	1.864	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNc1cccc(S(C)(=O)=O)c1	812543232	GDAHEXODDXGIDN-QWRGUYRKSA-N	314.407	1.452	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)NOC/C=C/Cl	811985113	ZIRUIRWXNCPRHP-ZZXKWVIFSA-N	308.725	1.796	50	20	DDGD	
CCc1cc(NC(=O)NNC(=O)c2ccccc2C)nn1C	817334861	SHAQVLLYXVRBMT-UHFFFAOYSA-N	301.350	1.757	50	20	DDGD	
CC(=NNC(=O)[C@H](C)Oc1ccc(F)cc1)c1csnn1	814751476	NBUXXESULUEJAE-VIFPVBQESA-N	308.338	1.985	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)CCc1ccccc1O	729934796	BLEWUEODMBPENQ-UHFFFAOYSA-N	300.362	1.825	50	20	DDGD	
CCN(CC(=O)NNC(=O)C(C)C)[C@H](C)c1ccc(C#N)cc1	827484061	OJZQNIACFWPWKS-CYBMUJFWSA-N	316.405	1.745	50	20	DDGD	
C=CCCOCC(=O)NNC(=O)CNc1ccc(C)cc1C	728205229	SYHQLGJJUGGGMC-UHFFFAOYSA-N	305.378	1.455	50	20	DDGD	
CCCc1nc(C)c(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)o1	826855764	HBVYECKEISXYTA-WDEREUQCSA-N	324.381	1.191	50	20	DDGD	
C=C(CBr)COC(=O)Cc1nc(C2CC2)nn1C	829909775	FXLFUMLAIBAUIO-UHFFFAOYSA-N	314.183	1.729	50	20	DDGD	
Cn1cc(Cl)cc1C(=O)NNc1nc(-c2cccnc2)no1	728075761	MRVHRYHRFLDLPA-UHFFFAOYSA-N	318.724	1.880	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CCO[C@@H](CF)C2)cc(C#N)n1C	491161371	ODFDMNCIUAZZTB-XNISGLLXSA-N	316.336	1.309	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1Cc2ccccc2C[C@@H]1C	827286690	BBLGHQVEZZXETA-SLEUVZQESA-N	317.389	1.599	50	20	DDGD	
Cc1c(NNC(=O)CCN2CCOC2=O)cccc1[N+](=O)[O-]	493879997	HMUVRSOBKHRCBN-UHFFFAOYSA-N	308.294	1.189	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(N2CCCCCC2)nc1	823847278	UVEMGJMBCDUVFI-UHFFFAOYSA-N	306.410	1.421	50	20	DDGD	
CCCCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)NNC(=O)CC)C1(C)C	829677603	DXQONCHKIWBKIC-YNEHKIRRSA-N	313.442	1.506	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C)C[C@@H]1OCCc2ccccc21	827635741	MVYMUWHOQUFJHE-HNNXBMFYSA-N	319.405	1.036	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2ccc(C#N)n2C)n1	826965755	AWHZOFCSIKPPBF-UHFFFAOYSA-N	313.365	1.290	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@@H]1c1ccccc1	827314307	AGYVMNSXYHEGPI-FPMFFAJLSA-N	303.362	1.599	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCC[C@](C)(O)c2ccccc2)cn1	491109096	ZIUSDOCQSUNFJG-BXBOZWQASA-N	324.384	1.741	50	20	DDGD	
CC(C)c1nnc(NC(=O)/C(C#N)=C/c2cnn(C)c2)s1	491159676	JESPMLIRLMVACX-ONNFQVAWSA-N	302.363	1.941	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1	495629731	VLNCVEWTLWZWAT-UHFFFAOYSA-N	301.302	1.589	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)C2(C(=O)C3CC3)CC2)o1	822858818	MAZINKIERHYEJD-UHFFFAOYSA-N	302.334	1.872	50	20	DDGD	
O=C(/C=C/C1CCOCC1)NNc1nc(-c2ccncc2)no1	491872797	XEHUYEHTDIINIE-OWOJBTEDSA-N	315.333	1.558	50	20	DDGD	
CNC(=O)NNC(=O)Cc1cc(Br)ccc1C	822739044	LKDLTISUMDCMMY-UHFFFAOYSA-N	300.156	1.260	50	20	DDGD	
COC(=O)[C@H](CNC(=O)/C(C#N)=C/c1cnn(C)c1)CC1CC1	491129514	GVMFXEPWSPUCLY-BLXFFLACSA-N	316.361	1.033	50	20	DDGD	
CC(C)COc1ncccc1C(=O)NNC(=O)CC(F)(F)F	728601901	HWHDSNXIABCKMQ-UHFFFAOYSA-N	319.283	1.830	50	20	DDGD	
CCN(CCO)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CC=CCC1	823893749	VGPIYKZVRPLIER-MRXNPFEDSA-N	312.410	1.400	50	20	DDGD	
CC[C@@H]1C[C@@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCO1	825182922	MMJWNFUMMGQPRT-WCQYABFASA-N	316.365	1.515	50	20	DDGD	
N#C/C(=C\c1cnn(CC(F)F)c1)C(=O)N=c1cc[nH]cc1	491162199	RAFCVRMUFRTLRB-VZUCSPMQSA-N	303.272	1.511	50	20	DDGD	
Cc1ccc(C[C@H](C)NC(=O)c2cccc(B(O)O)c2)s1	584948224	FBXLLDBJEBGTLU-JTQLQIEISA-N	303.192	1.097	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(F)cc(Br)c1	823846480	JUYXUVRWAKJQRR-UHFFFAOYSA-N	305.147	1.547	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cccc2c1OC(F)(F)O2	823803531	CNPZESVDXFNRPA-UHFFFAOYSA-N	313.260	1.362	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(-c2ccccc2)nc1O	823971551	WFTPTNOCPSNWPB-LLVKDONJSA-N	301.346	1.412	50	20	DDGD	
Cc1cccnc1C=NNC(=O)CCNC(=O)OC(C)(C)C	494974931	YBXUJARUZBIJLT-UHFFFAOYSA-N	306.366	1.755	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)c2ccc3c(c2)OCO3)ncn1	825854711	NJDHIIZLGNFZEK-JTQLQIEISA-N	300.318	1.761	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNC(=O)C[C@@H]1CC[C@H]2C[C@H]12	822969972	GQKIAIJJXYOMJX-DCAQKATOSA-N	321.402	1.062	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)N2CC=C(C#N)CC2)C1	496778118	ORDDTQQISYLCKR-BETUJISGSA-N	305.378	1.972	50	20	DDGD	
CC[C@H](O)[C@H](C)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	900697209	ILWOHUSINBTHLY-FZMZJTMJSA-N	316.361	1.040	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)COC(=O)[C@H]2C[C@H]2C)cc1C	736744182	XGCDXSZQFYHTSV-SCZZXKLOSA-N	324.402	1.579	50	20	DDGD	
Cc1ccccc1C(C)(C)C(=O)NNC(=O)c1c[nH]nc1C	732082756	JDMJSEOULYABAU-UHFFFAOYSA-N	300.362	1.765	50	20	DDGD	
CCCN(C)CC(=O)NNC(=O)COc1ccc(C)c(C)c1	730103995	MJNAIMVTGKOIFY-UHFFFAOYSA-N	307.394	1.171	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cc(-n2cccn2)ccn1	736065899	XCRKLPNUWCBDOO-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
CC1(c2ccccc2)CCN(C(=O)c2cccc(B(O)O)c2)CC1	584964764	ICWYDAGRSGFWAH-UHFFFAOYSA-N	323.201	1.560	50	20	DDGD	
C[C@]1(C(=O)N[C@H](CO)Cc2ccncc2)C[C@H]1Br	907668358	AHLPXUIBHGMBNB-LOWVWBTDSA-N	313.195	1.275	50	20	DDGD	
C[C@H](c1ccccc1)N1CC[C@H](NS(=O)(=O)CCl)C1	830160549	DCHPVLPEFYIJCK-YPMHNXCESA-N	302.827	1.938	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@@H]2CC23CCOCC3)cc(C#N)n1C	491086860	VLSZSAUVEKKIFS-ACQAZONXSA-N	324.384	1.797	50	20	DDGD	
COc1ccc(Br)c(NNC(=O)[C@H](C)OC)c1	839906752	BVOAEWONDUKUEY-ZETCQYMHSA-N	303.156	1.936	50	20	DDGD	
C[C@H]1CC[C@H](CNC(=O)NNC(=O)c2cccc(N(C)C)c2)O1	838743012	SMEFADJGDAZEOX-SMDDNHRTSA-N	320.393	1.264	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCCC(C)(C)O)cc1F	838558015	BMNCRWXEYHKYEF-UHFFFAOYSA-N	313.329	1.399	50	20	DDGD	
CCCC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CCCC1	834944310	OLGRNUAQGJILNS-GFCCVEGCSA-N	315.439	1.819	50	20	DDGD	
COCCOCCC(=O)NNc1cccc(C(=O)OC)c1F	837057159	HJURYDQHZBHSPJ-UHFFFAOYSA-N	314.313	1.109	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCC(C)(F)F)c2ccccc21	836191193	BPAKXRDKHNEPED-UHFFFAOYSA-N	310.304	1.778	50	20	DDGD	
Cn1cncc1CCC(=O)NN=c1sc2ccccc2n1C	588576921	ZSOPUJLVCJWESA-UHFFFAOYSA-N	315.402	1.538	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NCB(O)O)c3ccccc3n2)cc1	585060391	PXIKCAPHXUVADR-UHFFFAOYSA-N	320.157	1.952	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2(C)CCOCC2)c1F	837061297	XODQGAHYVUVBKI-UHFFFAOYSA-N	310.325	1.872	50	20	DDGD	
COc1ccccc1SCC(=O)NN=C(C)c1cn(C)nn1	834967028	RURLQJOKKQBXLJ-UHFFFAOYSA-N	319.390	1.456	50	20	DDGD	
C#CCOc1ccc(C(C)=NNC(=O)NCCCOC)cc1	733203505	NBBFHAQQTHILDL-UHFFFAOYSA-N	303.362	1.758	50	20	DDGD	
CCc1nn(C)c(Cl)c1C=NNC(=O)Cc1cccnc1	734748151	JDAGPCRMOXAKJV-UHFFFAOYSA-N	305.769	1.724	50	20	DDGD	
Cc1noc(C[C@@H](NS(=O)(=O)CCl)c2ccccc2)n1	831276272	JARVFSKPSMMNMD-LLVKDONJSA-N	315.782	1.778	50	20	DDGD	
CC[C@H](Cc1cccc(C)c1)C(=O)NNC(=O)c1ncon1	832830496	OVMFSESVMHDGPS-GFCCVEGCSA-N	302.334	1.408	50	20	DDGD	
C[C@H](CNC(=O)NNc1ncc(F)cc1F)Cn1cccn1	837798803	CQBDIBPXRJWNEH-SECBINFHSA-N	310.308	1.519	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=S)Nc1ccccn1	913825550	HAUXOQXKAMBQBA-JQWIXIFHSA-N	306.391	1.380	50	20	DDGD	
Cn1ccc(C=NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)c1	749859965	USAKVPSSACVZSG-UHFFFAOYSA-N	320.374	1.584	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCCc2c(F)cccc2F)cn1	846879011	LWCFQBKVEGUHHA-UHFFFAOYSA-N	322.315	1.482	50	20	DDGD	
CC(C)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)c2ncccn2)C1	841592657	VDFIUIMCKAQGQR-VXGBXAGGSA-N	305.382	1.635	50	20	DDGD	
COc1ccc(NC(=O)NN=C2C[C@@H](C)n3ncnc32)cc1	841639681	GCKDXZATHACEIU-SECBINFHSA-N	300.322	1.777	50	20	DDGD	
CCC(CC)(CO)C(=O)NNc1nc(-c2ccccc2)no1	847481785	ZSXWUVPQVTYOGS-UHFFFAOYSA-N	304.350	1.978	50	20	DDGD	
O=C(NNc1ccccn1)C1CCN([C@H]2CCSC2)CC1	847668624	UAKFDJFDGQGIRM-ZDUSSCGKSA-N	306.435	1.742	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2ccnn2C)n1	914554707	POUMYJHQMJUYON-UHFFFAOYSA-N	304.379	1.069	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	847351214	NXOMXKRDWIXNQV-HTQZYQBOSA-N	312.713	1.203	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=S)NC(C)(C)C)n[nH]2)o1	918690322	OZRPDKRGNSTRMU-UHFFFAOYSA-N	321.406	1.886	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2cnc3cnccn23)cc1	746369265	VNACBFPGEDVULI-UHFFFAOYSA-N	322.328	1.127	50	20	DDGD	
CCc1nn(C)c(Cl)c1C=NNC(=O)[C@@H](C)OCCOC	748256722	CETMTBWZJYTXFF-SECBINFHSA-N	316.789	1.138	50	20	DDGD	
CC(=O)CC1(C(=O)NNC(=O)c2cccc(Cl)n2)CCC1	912508665	WAMZGDYXSQBFOP-UHFFFAOYSA-N	309.753	1.645	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)C2CCCC2)Cc2ccccc2C(=O)O1	914842786	NWIGPXQWPMZGEQ-KRWDZBQOSA-N	316.357	1.496	50	20	DDGD	
COCCN(C)CCCNC(=O)NNc1ccc(F)c(F)c1	914176610	MBUIINVJVCQCID-UHFFFAOYSA-N	316.352	1.559	50	20	DDGD	
CCOC(=O)[C@H](Cc1ccccc1)NNC(=O)[C@H]1CCO[C@@H]1C	843289491	SAYCULDBSFTPAB-SNPRPXQTSA-N	320.389	1.207	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2ccc(C(N)=O)cc2)c1	915940967	MFKOGADMZAPNBY-UHFFFAOYSA-N	311.341	1.623	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccc2c(c1)OCC(=O)N2	842556382	AVUXKCNHISTWMB-ZYHUDNBSSA-N	317.345	1.283	50	20	DDGD	
Cc1cnn(CC(=O)NNC(=O)c2cc3ccccc3cc2O)c1	740921869	HWAMOIXQVGYEKB-UHFFFAOYSA-N	324.340	1.512	50	20	DDGD	
CCN1CCC(=NNC(=O)COc2ccc(C#N)cc2)[C@H](C)C1	741457472	MIKBBTJQIZHZIZ-CYBMUJFWSA-N	314.389	1.771	50	20	DDGD	
CC1(C)CNC(=O)[C@H]1NS(=O)(=O)c1ccc(CCl)cc1	917626087	SNLLQCAPTHTOEX-LLVKDONJSA-N	316.810	1.228	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNC(=O)c2cc3c(s2)CCC3)c[nH]1	746096782	MRKOPTDANISMJL-UHFFFAOYSA-N	317.370	1.308	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1ccccc1Cl	842585495	AUKMKOHKPJAMBV-IUCAKERBSA-N	318.782	1.075	50	20	DDGD	
CSCC1(CC(=O)NNC(=O)c2cccc(C#N)c2)CC1	844377775	IOCLODYYRPLDNX-UHFFFAOYSA-N	303.387	1.853	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(F)c1Cl	843659660	YLWJKQRJYFJUKP-BDAKNGLRSA-N	314.744	1.974	50	20	DDGD	
COc1cccc(COCC(=O)NNC(=O)CC2CCCC2)c1	749945046	JNXDEUWLKXOPNK-UHFFFAOYSA-N	320.389	1.940	50	20	DDGD	
C[C@@H]1[C@H](Cc2ccccc2)CCN1CC(=O)NNC(=O)C1CC1	746676289	JRFWNQWXFALJKB-CJNGLKHVSA-N	315.417	1.497	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1nc2ccccc2o1	843643648	CUEGUSZYQDRYNG-QWRGUYRKSA-N	317.345	1.333	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)CCCS(C)(=O)=O	928338861	BUQWUYDBZWUATJ-UHFFFAOYSA-N	304.799	1.916	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C[C@@H](c1ccccc1)N(C)C	843971163	OXEDVXRCDGPUCJ-QEJZJMRPSA-N	319.405	1.252	50	20	DDGD	
O=C(NNc1cccc2cnccc12)[C@H]1CCCS1(=O)=O	847600869	CTZUXFUJTQDIER-CYBMUJFWSA-N	305.359	1.255	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC2(CC1)CC2(F)F	846718509	PDKOVAANTFNSHP-ZJUUUORDSA-N	317.336	1.273	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)N[C@@H]1COC[C@@H]1C	926017927	JDJHELKHSGKIAZ-DTWKUNHWSA-N	313.789	1.914	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H](C)OCC2CC2)cc1C	920773575	RUEAHVLFXNJGPS-ZDUSSCGKSA-N	320.389	1.645	50	20	DDGD	
CC1(C)C[C@@]1(C(=O)O)C(=O)NNc1nc(-c2ccccc2)no1	852949466	BTSLCVRDPLKCQU-HNNXBMFYSA-N	316.317	1.681	50	20	DDGD	
COCc1nn(C)cc1C(=O)NC[C@@]1(C)C[C@H]1Br	857385496	INDAQBIVGRKZCE-ZYHUDNBSSA-N	316.199	1.470	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C#CC(C)C)ccc1OC(C)C	854237562	XSRROGDHJQZHRT-UHFFFAOYSA-N	318.373	1.903	50	20	DDGD	
COCc1csc(CNC(=O)NNc2ncncc2F)c1	852570361	QAFJRHYUBPZTOM-UHFFFAOYSA-N	311.342	1.650	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CCO[C@H](C(C)C)C2)n1	929309087	PSMZOGAAFDQJJW-KGLIPLIRSA-N	322.409	1.099	50	20	DDGD	
CCCCc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1	755286073	ZXGMIRZNTSPQHD-UHFFFAOYSA-N	300.362	1.756	50	20	DDGD	
CC[C@@H](CN1CCCC1)NC(=O)NNc1nc(C)cc(OC)n1	758847713	PIOUGWJKCZNCFU-LBPRGKRZSA-N	322.413	1.294	50	20	DDGD	
Cc1cc([C@@H](C)NC(=O)NNC(=O)c2cn[nH]c2)c(C)s1	858132636	ADIVNPVTCCOCQK-MRVPVSSYSA-N	307.379	1.793	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1	854928217	ZEEQGPROLKQZOH-WDEREUQCSA-N	308.363	1.166	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1ccc2c(c1)C[C@@H](C)O2	926449861	XHXDQVWQWFKTGL-LLVKDONJSA-N	305.378	1.887	50	20	DDGD	
C[C@H](CNC(=O)NNc1ccccc1Cl)S(C)(=O)=O	754676067	RLHXKTZWXVHWFP-MRVPVSSYSA-N	305.787	1.399	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)[C@H](O)C2CC2)cc1OC	854235971	ITPGFWQNDCACLQ-CQSZACIVSA-N	322.361	1.016	50	20	DDGD	
CC1(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)CCC1	750232369	HAAQDDXOBVPBPX-UHFFFAOYSA-N	314.345	1.529	50	20	DDGD	
CON(C)C(=O)[C@H](C)NC(=O)NNc1cc(Cl)ccc1C	923474059	WNBYGBHDMRDWBX-VIFPVBQESA-N	314.773	1.683	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)c2ccccn2)cc1	755827222	CZEYZONAIVYSJN-UHFFFAOYSA-N	314.301	1.335	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)C=C1CCCC1	855830693	PFSVNUUTYWCEOL-UHFFFAOYSA-N	309.410	1.577	50	20	DDGD	
COC1(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CCCC1	754173427	FEBZYNSXWXKCNC-UHFFFAOYSA-N	320.345	1.178	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Nc1cc(C)n(C)n1	757753210	LNJNJGPJXPAXEA-UHFFFAOYSA-N	317.349	1.133	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)ccc1C	857268063	WEHCCMXECNSRRN-MRVWCRGKSA-N	304.346	1.792	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@@H]2COC[C@H]2C)cc1	926021662	ATHXHNUTXRKPIV-ZWNOBZJWSA-N	307.350	1.063	50	20	DDGD	
CC(C)n1ccc(CC(=O)NNC(=S)NCC2CCC2)n1	855091502	SNDCUUMHVWFXQD-UHFFFAOYSA-N	309.439	1.302	50	20	DDGD	
O=C(NNc1ccccc1)c1cn([C@@H]2CCCNCC2)nn1	852892373	JPFJWTMNNVEYHP-CYBMUJFWSA-N	300.366	1.350	50	20	DDGD	
O=C(NN=Cc1cc2ccccc2s1)[C@H]1CCS(=O)(=O)C1	758372732	AJARZCMFEQBBCS-NSHDSACASA-N	322.411	1.786	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@]2(c3ccccc3)CCC(=O)NC2)c1	857148888	KRILWIVMZZRZJM-GOSISDBHSA-N	324.384	1.681	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ccc2nc[nH]c2n1	755891138	SCZJHJJVNGTEID-UHFFFAOYSA-N	311.301	1.501	50	20	DDGD	
C[C@@H](NNC(=O)C1CCN(CC(F)(F)F)CC1)C(F)(F)F	862310177	RDVMRXPHAZTKRS-SSDOTTSWSA-N	321.265	1.832	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNc2nc(O)c3ccccc3n2)[C@H]1C	863895828	WSRNRAOZDUCBTI-XHSYRHOGSA-N	316.361	1.838	50	20	DDGD	
COc1cccc(C[C@@H](C)CC(=O)NNC(=O)C(C)(C)O)c1	935564261	YLIINDCLAKWCIK-LLVKDONJSA-N	308.378	1.182	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CCC(=O)N1)c1ccc(OC)c(OC)c1	863145794	MRCHASQCUQYECM-GFCCVEGCSA-N	319.361	1.213	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2ccncc2C)cc1	769886689	NWIIWVYKZIIZAW-UHFFFAOYSA-N	313.357	1.792	50	20	DDGD	
COC(=O)[C@@H](O)CNC(=O)CCCC[C@@H]1CCSS1	763260408	QAPLTMUFVCFXCO-ZJUUUORDSA-N	307.437	1.351	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H]2CCC(=O)N2)c(Br)c1	863147440	FXAYSLIWTCIBAS-LLVKDONJSA-N	324.178	1.486	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2C[C@]23CCOC3)cc1C	763732448	FLPSXYCWLADTDK-YOEHRIQHSA-N	318.373	1.256	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@@H](C)C2)cc[nH]1	862510352	DJOSPEMGVLJELB-DZKIICNBSA-N	320.437	1.389	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H]2CCSC2)c1C	761805471	RGWGMGZYTPTWLS-OLZOCXBDSA-N	322.430	1.971	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCc1cnc2n1CCCC2	867244311	QIFWIQXHSULWRY-UHFFFAOYSA-N	319.858	1.904	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccccc2Cl)CC1)c1cn[nH]c1	862471275	YLPXGPUFUBJDKH-UHFFFAOYSA-N	318.764	1.847	50	20	DDGD	
Cc1ccc(CO[C@H](C)C(=O)NNC(=O)c2cn[nH]c2)cc1	862467374	SQCIIVQWIUIOKB-LLVKDONJSA-N	302.334	1.084	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)CC(C)(C)CCl)CC[C@H]1C(=O)O	864499935	IGGOCDARRRUNEQ-NXEZZACHSA-N	311.831	1.624	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1cncc(Cl)c1	768272501	QJYLSNLTDUYGJK-UHFFFAOYSA-N	305.787	1.481	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)c1cccc(OC(F)F)c1)C(C)C	769926735	YSVUBRHSDBMDBL-LLVKDONJSA-N	316.304	1.720	50	20	DDGD	
COCCOCC(=O)NNC(=O)CC1CC(c2ccccc2)C1	869906752	ZJZYTOCLHXUYSV-UHFFFAOYSA-N	320.389	1.381	50	20	DDGD	
COC(=O)[C@H](NNC(=O)[C@@H]1CCCCO1)c1cccc(OC)c1	871887607	VQXFXBMHJUWDDT-UONOGXRCSA-N	322.361	1.099	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@H]2C[C@@H](O)C2)ccc1OC(C)C	873807613	ANHWRKSZLQLCFS-TXEJJXNPSA-N	322.361	1.014	50	20	DDGD	
C[C@@H]1CCc2nc(C=NNC(=O)C[n+]3ccccc3)sc2C1	1117702076	LILSZQXYDOEVST-GFCCVEGCSA-O	315.422	1.706	50	20	DDGD	
Cc1noc(C(C)C)c1C(=O)NNc1nncc(N)c1Cl	1116298744	YMPIIPVHCSRSOJ-UHFFFAOYSA-N	310.745	1.889	50	20	DDGD	
Cn1ccc(NNC(=O)CCCNC(=O)c2ccc(F)cc2)n1	1116837616	IQAJPBJLGKZEDD-UHFFFAOYSA-N	319.340	1.213	50	20	DDGD	
CCOc1cc(NC(=O)NNC(=O)C2CCOCC2)ccc1C	878575412	CBTQPRIQWZDQLN-UHFFFAOYSA-N	321.377	1.973	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccccc1COC	778558354	TVGAFENTCPSVFT-SNVBAGLBSA-N	300.380	1.189	50	20	DDGD	
Cn1c(C(=O)NNc2cncc(Br)c2)cccc1=O	1116396052	WKGXSBYRBDVZCG-UHFFFAOYSA-N	323.150	1.300	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1ncoc1[C@H]1CCCO1	1116076244	BEXYERQHPYEGOC-SNVBAGLBSA-N	320.305	1.263	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@](C)(O)C2CC2)cc1C	873761992	MHBUGEVZJLARCI-OAHLLOKOSA-N	307.419	1.782	50	20	DDGD	
CN(C)[C@H]1CCCC(=NNC(=O)c2ccc(C(=O)O)cc2)C1	872410869	PVVPYCCMGSIANY-AWEZNQCLSA-N	303.362	1.975	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1nccs1	770110760	NHDQFOPFENDXNH-UHFFFAOYSA-N	300.343	1.628	50	20	DDGD	
CN1C(=O)CCc2cc(C=NNC(=O)NCC3CC3)ccc21	774366423	JNEOAZDSPIHXIR-UHFFFAOYSA-N	300.362	1.639	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1nc(Cl)ccc1F	883066947	OJMKQTDZJJJQSN-UHFFFAOYSA-N	301.705	1.062	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccnn2)c(C)n1C(C)C	882061789	QSXZIDMQJRGGNW-UHFFFAOYSA-N	301.350	1.551	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)c2cnn(C)c2)c1F	771255359	RKWNJIGIZKYONM-UHFFFAOYSA-N	307.285	1.034	50	20	DDGD	
C=C/C=C\CCNC(=O)NNC(=O)c1ccc2c(c1)OCCO2	883825182	HUUVWJJEKPXWAA-ARJAWSKDSA-N	317.345	1.534	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cnc(Cl)cc1C(F)(F)F	1123573748	RKALWDPUPZTNMN-UHFFFAOYSA-N	307.659	1.925	50	20	DDGD	
O=C(CC[C@@H]1CC1(Cl)Cl)NNC(=O)C1CCOCC1	883071583	GMJOEYUDRGKLTP-SECBINFHSA-N	309.193	1.534	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cc(OC)n(C)n1)c1ccccc1	772947099	DSHSHBMAZMQQLL-GFCCVEGCSA-N	316.361	1.384	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)C2CCCC2)cc1C(F)(F)F	1123471086	JNVKEPMFZOEGMN-UHFFFAOYSA-N	304.272	1.390	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)o1	786845165	LASLQWCFDYOEQL-VHSXEESVSA-N	319.365	1.404	50	20	DDGD	
O=C(NNC(=O)c1csc2c1CCCC2)c1cccnn1	882061433	HPOIQEPKPHVSPQ-UHFFFAOYSA-N	302.359	1.492	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1cccc(F)n1	783567997	WFZAKAXTPQAXKT-UHFFFAOYSA-N	307.256	1.200	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)NC[C@H]2C=CCC2)cc1	883832786	LLRNRTRPFNXKTP-LBPRGKRZSA-N	319.361	1.371	50	20	DDGD	
C[C@]1(c2ccccc2)C[C@@H]1NC(=O)NNC(=O)C1CCOCC1	883458307	DNJHJKJTCOLJGR-WMLDXEAASA-N	317.389	1.474	50	20	DDGD	
COCC(=NNC(=O)CNc1ccc(C)cc1)C1CCOCC1	780194107	GDVIEZSHFRWYCQ-UHFFFAOYSA-N	319.405	1.952	50	20	DDGD	
CC(=O)N[C@H](C)C(=O)NNc1cc(Br)ccc1F	885146496	ZWRSYFHGINEVDA-ZCFIWIBFSA-N	318.146	1.556	50	20	DDGD	
O=C(NNc1cc(Br)ccc1F)[C@@]1(O)CCOC1	885148816	GFCJFZRBFRMUSF-LLVKDONJSA-N	319.130	1.183	50	20	DDGD	
CCc1cncc(C(=O)NNC(=O)c2c(C)nc3ccccn23)c1	789875168	NWXXGILSEDZSSX-UHFFFAOYSA-N	323.356	1.675	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)c2cc3ccccc3cc2O)CO1	784764650	JKAHXZRCKKCCGX-GWCFXTLKSA-N	314.341	1.731	50	20	DDGD	
C=CCOc1cccnc1C(=O)NNc1cccc(OC)n1	780771928	JXJATFYWYGRDBK-UHFFFAOYSA-N	300.318	1.807	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)NNC(=O)C1CC1	895461938	DEEPUCMUPMTCSY-LLVKDONJSA-N	311.382	1.237	50	20	DDGD	
C[C@@H]1COCCN1Cc1cn(/C=C\CBr)nn1	899212121	PSSHZVVFRONBOE-WUWIAWFRSA-N	301.188	1.364	50	20	DDGD	
COc1ccc(OCC(=O)NN=C(C)c2cc(C)nn2C)cc1	788955564	XNAWTXJTVMLFDF-UHFFFAOYSA-N	316.361	1.656	50	20	DDGD	
COCCCNC(=O)NNC(=S)Nc1cccc(F)c1	899462729	WAIAXMVZUOCINE-UHFFFAOYSA-N	300.359	1.363	50	20	DDGD	
Cc1cccn2c(=O)cc(COC(=O)/C(C#N)=C\C3CC3)nc12	786674670	WUOZQWRVZOBZJQ-QPEQYQDCSA-N	309.325	1.906	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2c(C)cc(C)nc2O)c1	781038607	KAGOLRVCUJTUEC-UHFFFAOYSA-N	315.329	1.948	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)NC[C@H]2C[C@@H](N)C2)cc1	892564429	DSVVZSOTEKTSSR-TXEJJXNPSA-N	322.434	1.155	50	20	DDGD	
COc1cc(NNC(=O)CSCC(N)=O)ccc1Cl	790171996	NUPBZMHRQZFQHT-UHFFFAOYSA-N	303.771	1.010	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1ccc(Cl)c(OC)c1	790173916	DXYXIGSRKKCTOL-UHFFFAOYSA-N	315.757	1.928	50	20	DDGD	
CC(=NNC(=O)CNc1ccccc1)C(C)(C)n1cncn1	794463794	KUHQVKCXUXEGJY-UHFFFAOYSA-N	300.366	1.617	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)N[C@@H]1CCCN(C)C1=O	799599129	SRLKZBVWTVGYMQ-CYBMUJFWSA-N	304.394	1.804	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)N1CCc2c(F)cccc21	792374635	BBYDHUZYLFILPT-UHFFFAOYSA-N	314.320	1.562	50	20	DDGD	
CC(=NNC(=O)[C@H]1COc2ccccc2O1)c1ccnc(O)c1	790287047	BAJKEBAHOYCKEC-CQSZACIVSA-N	313.313	1.467	50	20	DDGD	
Nc1cnnc(NNC(=O)NCC#Cc2ccccc2)c1Cl	1319393949	OMPSMNXECIQJHE-UHFFFAOYSA-N	316.752	1.390	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1O)n1ccnc1	1318035408	WUOSUMLYNYRYBX-QMMMGPOBSA-N	308.725	1.264	50	20	DDGD	
COc1ccc(CCC(=O)NNc2nncc(N)c2Cl)cc1	1319218614	GVIBEFIMAYQYCO-UHFFFAOYSA-N	321.768	1.797	50	20	DDGD	
CCOc1cc(C=NNC(=O)C[n+]2ccccc2)ccc1OC	1317706861	WIBTUGKJTGAFAM-UHFFFAOYSA-O	314.365	1.532	50	20	DDGD	
O=C(NNS(=O)(=O)N1CCCCC1)c1ccccc1Cl	1318763040	ZFZCIDVTWJYTPS-UHFFFAOYSA-N	317.798	1.305	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCC(=O)NC2CCCC2)c1	1328703175	NNISGFMRMWLEMX-UHFFFAOYSA-N	324.406	1.059	50	20	DDGD	
O=C(NNC(=O)C1(Sc2ccccc2)CC1)N1CCOCC1	1320072058	SBVMCYXYBCVESP-UHFFFAOYSA-N	321.402	1.384	50	20	DDGD	
CCC1(C(=O)NNC(=O)c2ccc(OC)cc2)CCOCC1	1323552688	VLAVIDLHUXGKCJ-UHFFFAOYSA-N	306.362	1.663	50	20	DDGD	
BrC[C@H](CN1CCN(c2ncc[nH]2)CC1)C1CC1	1328767550	YDRLZNODGURKAW-GFCCVEGCSA-N	313.243	1.953	50	20	DDGD	
C[C@]1(C(=O)N2CC[C@@]3(CCOC3=O)C2)C[C@H]1Br	1337620758	RBRCTQZEDAGMTR-JFUSQASVSA-N	302.168	1.326	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc(OC(F)F)cc1F	1332591659	BEIPKILWLGMWKW-UHFFFAOYSA-N	321.324	1.944	50	20	DDGD	
COc1cc(F)cc(NC(=O)NNC(=O)c2cnn(C)c2)c1	1342420479	IOFCMQOOCXQBRI-UHFFFAOYSA-N	307.285	1.034	50	20	DDGD	
C[C@@]1(CNC(=O)C2(N)Cc3ccccc3C2)C[C@@H]1Br	1347941459	VAJMPLLJKTVABE-JSGCOSHPSA-N	323.234	1.772	50	20	DDGD	
COc1cc(C=NNC(=O)C2CCOCC2)ccc1OC(C)=O	1262038762	YQVIZEBVNSXGHI-UHFFFAOYSA-N	320.345	1.497	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C[C@@H]1CC(=O)Nc2ccccc21	1351089770	GJHOZSDBLBCPTD-JTQLQIEISA-N	320.418	1.406	50	20	DDGD	
CCN(CC)C(=O)CNC(=O)NNc1ccc(C(C)(C)C)nn1	1352095442	NMQOVDBWEALRGX-UHFFFAOYSA-N	322.413	1.269	50	20	DDGD	
COC1(OC)CC(CNC(=O)NNc2ccc(Cl)nc2)C1	1528100382	IUHRGJKCXCRKSW-UHFFFAOYSA-N	314.773	1.760	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1n[nH]cc1Br	1520286541	QTULFBFXDAJONZ-UHFFFAOYSA-N	321.138	1.805	50	20	DDGD	
COCCn1cc(C(=O)OC[C@@]2(C)C[C@H]2Br)cn1	1526043668	BXUFYHPDYYKMBD-ZYHUDNBSSA-N	317.183	1.860	50	20	DDGD	
CC(=O)c1ccccc1C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1602980708	QVXYDTHLYDQVIP-UHFFFAOYSA-N	323.316	1.221	50	20	DDGD	
Cc1cc(C)c2c(c1)C(=NNC(=O)NCC(=O)O)CCCO2	1600165383	UOYOLTBCJPGNOM-UHFFFAOYSA-N	305.334	1.564	50	20	DDGD	
Cc1cc(C(=O)O)oc1C(=O)NNc1cnc2ccccc2n1	1600133816	XFBZGFYRYKRLJV-UHFFFAOYSA-N	312.285	1.986	50	20	DDGD	
Cn1cc([C@@H]2C[C@H]2C(=O)NNc2cccc(F)c2C(=O)O)cn1	1600969765	RGGLVSGVGKNPNS-VHSXEESVSA-N	318.308	1.504	50	20	DDGD	
Cc1c(NNC(=O)Cc2cn(C)nc2Cl)cccc1C(=O)O	1600051247	NERABIRNKMQFOB-UHFFFAOYSA-N	322.752	1.766	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCSC[C@H]1C(=O)O	1603302918	OXNOSPZOIBJGPC-YUMQZZPRSA-N	324.240	1.825	50	20	DDGD	
Cc1ccncc1CNC(=O)NNc1ccc(CC(=O)O)cc1	1600605064	KENHPVPEIALWIQ-UHFFFAOYSA-N	314.345	1.843	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@H](O)c2ccccc2)c1F	1602446648	GCPPFPUQKFOTOT-CYBMUJFWSA-N	304.277	1.701	50	20	DDGD	
O=C(O)COc1ccc(C(=O)NNc2ccnc(Cl)c2)cc1	1602081271	RXXBXCCLKPCZBL-UHFFFAOYSA-N	321.720	1.955	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NNc1ccc(C(=O)O)cc1F	1609599223	NESSEEFSQXKTAY-CYBMUJFWSA-N	323.324	1.368	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNc1ccc(C(=O)O)cn1	1601353952	VTXYJGRDVDIWHF-UHFFFAOYSA-N	310.313	1.947	50	20	DDGD	
CCc1ccc(NNC(=O)[C@H]2CO[C@H](CCC(=O)O)C2)cc1	1603975627	YMIJYUDQJKTKGI-TZMCWYRMSA-N	306.362	1.962	50	20	DDGD	
O=C(CCc1ccc(C(=O)O)cc1)NNC(=O)[C@H]1CCCS1	1610659433	SSTJYZMUCNFPAZ-GFCCVEGCSA-N	322.386	1.360	50	20	DDGD	
CC(C)[C@H](N)C(C)(C)C(=O)NNC(=O)c1c[nH]c2ccccc12	1575448091	WVYGOZWHOISFAZ-AWEZNQCLSA-N	316.405	1.938	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)CCNC2CC2)cc1	1575272547	MOOLSQNCUMNYKQ-UHFFFAOYSA-N	303.406	1.887	50	20	DDGD	
CC1(C)CNC[C@@H]1C(=O)NNc1nc(O)c2ccccc2n1	1576472997	JPRXCXYVKRFHMO-SNVBAGLBSA-N	301.350	1.024	50	20	DDGD	
CC(=O)c1cncc(C(=O)NNc2ccc(F)c(C(=O)O)c2)c1	1589318742	QWSVOSOZEFWEKI-UHFFFAOYSA-N	317.276	1.878	50	20	DDGD	
O=C(/C=C/C1CC1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843361368	CLCKJFOXZSKGMG-ZYOFXKKJSA-N	300.761	1.690	50	20	DDGD	
C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC=C(C#N)CC1	1589889329	JJNNAOHFNSPFCE-LBPRGKRZSA-N	322.372	1.728	50	20	DDGD	
O=C(NNc1ncccc1Cl)[C@@H]1CCN[C@H]([C@H]2CCCO2)C1	1580743290	XTIRZCLVRJUBLJ-KGYLQXTDSA-N	324.812	1.725	50	20	DDGD	
CSCCCNC(=O)NNc1ccc(F)c(C(=O)O)c1	1599800370	USECMAXSUDVQGZ-UHFFFAOYSA-N	301.343	1.903	50	20	DDGD	
CCc1noc(CCCC(=O)NNc2cccc(C(=O)O)c2)n1	1597749236	WSRPTSZGJFRNNQ-UHFFFAOYSA-N	318.333	1.796	50	20	DDGD	
O=C(O)CCCNC(=O)NNc1cc(Cl)nc2ncccc12	1595050250	MFJIHHYTMAZZJN-UHFFFAOYSA-N	323.740	1.774	50	20	DDGD	
COc1cc(CCC(=O)NNc2ccc(C(=O)O)cc2F)on1	1599402743	HLDPJYRWFWIELV-UHFFFAOYSA-N	323.280	1.596	50	20	DDGD	
C[C@H](CC(=O)NNc1ccc(F)c(C(=O)O)c1)c1cnn(C)c1	1592251307	APZCPJVYGGLVQN-SECBINFHSA-N	320.324	1.894	50	20	DDGD	
CSSCCNC(=O)Nc1ccc(-c2nn[nH]n2)cn1	1591701831	NKAXVYJYMQQGFY-UHFFFAOYSA-N	311.396	1.394	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=Cc1n[nH]c2cc(C(=O)O)ccc12	1776102025	FCIJNMJBRKEMFE-ZWNOBZJWSA-N	316.317	1.136	50	20	DDGD	
Cc1nsc(C=NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)c1C(=O)O	1776091009	NCNBODKELIPSPN-HRDYMLBCSA-N	309.347	1.167	50	20	DDGD	
N#Cc1ccc(C(=O)O)c(C=NNC(=O)OCC(F)(F)F)c1	1776097105	KSGNLGDOFTVMDZ-UHFFFAOYSA-N	315.207	1.879	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl)[C@H]1C[C@@H]1F	1796810670	VPGWELWMPHDWJK-XRZDUACRSA-N	306.740	1.517	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=S)NC(C)(C)C)c1	14894709	VZEAJMPWMMKQGC-UHFFFAOYSA-N	311.407	1.611	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cccc(-n2ccnn2)c1	161045954	HUHATVPDWRWUKE-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccc(F)cc2F)cn1	158129325	UWWFAYBHBKWIKL-UHFFFAOYSA-N	307.256	1.903	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@H](C)c2c(C)noc2C)n1	151503759	XVKNULYZGFTQFF-QMMMGPOBSA-N	320.353	1.520	50	20	DDGD	
CCC(=O)N1CC[C@H](NC(=O)NNc2cccc(C#N)c2)C1	151615835	MUOZGUSQCMCDBP-ZDUSSCGKSA-N	301.350	1.195	50	20	DDGD	
CC(C)c1ncc(C(=O)NNC(=O)Cc2ccncc2)s1	151291640	COKWXLCELRDCIK-UHFFFAOYSA-N	304.375	1.665	50	20	DDGD	
Cc1sc(=O)n(CCC(=O)NNc2cccc(C#N)c2)c1C	152355655	LRZUHEULRVZAQE-UHFFFAOYSA-N	316.386	1.932	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)SCc2ccccc2)[nH]n1	153230624	ZLQASARRVXFUQV-LLVKDONJSA-N	318.402	1.801	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2C[C@@]23CCCc2ccccc23)[nH]n1	153247669	MEAKQZRCLXESCE-RDTXWAMCSA-N	324.384	1.773	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cccc3ccccc23)ccc1=O	157585280	FQMNSHGZVCYFGF-UHFFFAOYSA-N	321.336	1.613	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc2[nH]ccc2c1	156149481	MEASKCAEZHLMSZ-UHFFFAOYSA-N	316.361	1.234	50	20	DDGD	
CCCC[C@@H](NC(N)=O)C(=O)NNc1c(F)cccc1F	156607747	VPLWISSXVPROHG-SNVBAGLBSA-N	300.309	1.635	50	20	DDGD	
O=C(NNc1cccc(F)c1)[C@@H]1CCCN1C1CCOCC1	154975503	HIYJXQXHFXDOOU-HNNXBMFYSA-N	307.369	1.912	50	20	DDGD	
C=C(C)CNC(=S)NNC(=O)c1cn(C)c2ccccc12	7369555	LTAFWQGLTQVKLW-UHFFFAOYSA-N	302.403	1.863	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)c2cccc(Cl)c2)n(C)c1	178833305	VIVWFKXMIGSKHV-UHFFFAOYSA-N	319.748	1.956	50	20	DDGD	
COc1ccsc1C(=O)NNC(=O)CNc1ccccc1	106283124	DHSFEPHWPXMGEM-UHFFFAOYSA-N	305.359	1.630	50	20	DDGD	
Cc1ccc(CN(C)C(=O)NNC(=O)Cc2cccnc2)s1	103518420	JVEQGMLOUUAGML-UHFFFAOYSA-N	318.402	1.867	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CCc1cnn(-c2ccccc2)c1	24608596	VRIIEITUICCGSU-UHFFFAOYSA-N	314.389	1.998	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2c(C)nn(C)c2OC)cc1	112268515	GFTJVSOKAGINHN-UHFFFAOYSA-N	316.361	1.374	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCc2c(C)noc2C)cc1	67760050	LRONMKQGWCDENH-UHFFFAOYSA-N	316.361	1.998	50	20	DDGD	
N#CC(C#N)=CNCc1cccc(C(=O)NC[C@H]2CCCO2)c1	67952309	PHTBQTNKVSXPQU-MRXNPFEDSA-N	310.357	1.616	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cc(N)nc(Cl)c1	171766272	NADPJMQBJLUEPP-UHFFFAOYSA-N	320.736	1.401	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc2[nH]ccc12	124778013	KXXVDKOCZDPQMO-SECBINFHSA-N	302.334	1.300	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1F	124799685	FORPLNSQNCNTSM-SSDOTTSWSA-N	315.732	1.611	50	20	DDGD	
CC(=O)N(CCC(=O)NNc1cccnn1)Cc1ccccc1	77036582	INLRQUBTDWIZMM-UHFFFAOYSA-N	313.361	1.359	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2ccc(F)nc2)c1	74170050	XEKDYNXDPWFCJI-UHFFFAOYSA-N	302.309	1.362	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)c2cc3ccccc3o2)c(C)n1	181593175	BKLQUTFZVRFIOB-UHFFFAOYSA-N	310.313	1.914	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)c2ccccc2OC)cn1	181093923	ZXRPJUHYBCPGFT-UHFFFAOYSA-N	302.334	1.377	50	20	DDGD	
CSc1ccc(NC(=O)NNC(=O)c2cnn(C)c2)cc1	183392566	GMVGDTCBVCKWRF-UHFFFAOYSA-N	305.363	1.609	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)Nc1cccc(C(F)F)c1	184742729	QXIYCPLENPPUHP-UHFFFAOYSA-N	309.276	1.743	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2nnc(C3CC3)s2)o1	184499898	XWQODZJCJCLRCL-UHFFFAOYSA-N	308.319	1.552	50	20	DDGD	
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(O)cc1	188309025	QZGNCPJGWUEAKT-QNWYCTJYSA-N	315.373	1.719	50	20	DDGD	
O=C(CO)NNC(=O)c1ccccc1NCCC1=CCCCC1	182753890	MQSKUUBNEWPHOA-UHFFFAOYSA-N	317.389	1.742	50	20	DDGD	
COc1c(C)ccc(NC(=O)NNC(=O)Cc2cc[nH]n2)c1C	183668485	FYKACZFTRLZBGS-UHFFFAOYSA-N	317.349	1.431	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NCCC1CC1	74819260	JKIRFJWNIWVXCC-UHFFFAOYSA-N	305.378	1.758	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)CSc1ccccc1O)C1CC1	125556780	LDDIFAXUGJRFOX-NTMALXAHSA-N	306.387	1.988	50	20	DDGD	
O=C(/C=C/c1cccc(O)c1)NNC(=O)c1ccc(Cl)nc1	128614409	XKLFACRTBQBRDT-QPJJXVBHSA-N	317.732	1.915	50	20	DDGD	
Cc1cccc2c(=O)n(CCC(=O)NNc3ccccn3)cnc12	181185857	DGHYSBQHFSQCGN-UHFFFAOYSA-N	323.356	1.633	50	20	DDGD	
CSC[C@H]1CCCN1[C@H](C)C(=O)NNC(=O)CC(C)C	135484867	KKYCBJRUFZDNRX-VXGBXAGGSA-N	301.456	1.396	50	20	DDGD	
COc1ccncc1NC(=O)C(=O)NNc1cc(C)cc(C)c1	131796758	ZBFGWNCVVGBTLH-UHFFFAOYSA-N	314.345	1.789	50	20	DDGD	
Cc1ccc(C)c([C@@H]2CCCN2CC(=O)NNC(=O)C2CC2)c1	133601531	VKLOJXUBUCIUBH-INIZCTEOSA-N	315.417	1.998	50	20	DDGD	
CC1=C(C(=O)NNC(=O)Cn2ccc3ccccc32)CCCO1	131737649	MPCXNMPDHSKOJT-UHFFFAOYSA-N	313.357	1.873	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cncc(F)c2)cc1	132077930	KQDYDIUTEWNDCX-UHFFFAOYSA-N	317.320	1.623	50	20	DDGD	
CCCN(C[C@H](C)CBr)[C@@H]1CCS(=O)(=O)C1	133626449	VWYNALKLELIEKI-GHMZBOCLSA-N	312.273	1.917	50	20	DDGD	
O=C(CCCn1ccnc1)NNc1ncnc2ccsc12	132648535	VZUSWDUAGZQBOF-UHFFFAOYSA-N	302.363	1.811	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cccc(Br)c1	49469020	AXVVEUJTDXLFBM-UHFFFAOYSA-N	300.156	1.802	50	20	DDGD	
Cc1oc2nc[nH]c(=O)c2c1C(=O)NNC(=O)CC1CCCC1	195212531	HCHOWCRUCRPQCH-UHFFFAOYSA-N	318.333	1.166	50	20	DDGD	
Cc1ccc(-n2cnnn2)cc1NC(=O)NNC(=O)C(C)(C)C	193556981	MHSJVPRPTCUREQ-UHFFFAOYSA-N	317.353	1.170	50	20	DDGD	
CCCn1c(C(=O)NNC(=O)C(C)(C)O)cc2ccccc21	192930836	HMGMXKUNVSQRDW-UHFFFAOYSA-N	303.362	1.583	50	20	DDGD	
CSCCNC(=S)NNC(=O)C1(C#N)CCCCC1	91822111	DXHYVCOQBHUMEI-UHFFFAOYSA-N	300.453	1.319	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnn(-c2ccncc2)c1C	90420538	OIQFIFUHSUFTIH-UHFFFAOYSA-N	316.365	1.320	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)[C@H](C)OCCOC)c1ccccc1	267155413	IEMZUPDWOPBAIL-GXTWGEPZSA-N	323.393	1.520	50	20	DDGD	
O=C(CCc1cccc([N+](=O)[O-])c1)NNC(=O)NC1CCCC1	267942141	CHNXSQXONKIWGQ-UHFFFAOYSA-N	320.349	1.800	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1cccc([N+](=O)[O-])c1)C(C)C	269622000	QGSSVOGPPUUJKI-NSHDSACASA-N	310.310	1.419	50	20	DDGD	
COc1cccc([C@@H](O)CNC(=O)NNC(=O)C(C)(C)C)c1	264690569	ABQLUOFKPXNNBC-LBPRGKRZSA-N	309.366	1.105	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1cnn(C)c1)c1ccccc1	265386470	KLLLITCDMIFRJB-ZDUSSCGKSA-N	301.350	1.515	50	20	DDGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](OCCO)C1	267387774	NXNZOOJOHWONGV-AHVDBNSQSA-N	317.345	1.933	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C2CCC2)n(-c2ccccn2)n1	264719081	KRPMAEVBTINPDZ-UHFFFAOYSA-N	314.349	1.529	50	20	DDGD	
CN(C)CC(=O)NNC(=O)C1CCC(c2ccccc2)CC1	266485405	WESMRUMSQDDALG-UHFFFAOYSA-N	303.406	1.669	50	20	DDGD	
CCCS(=O)(=O)c1ccccc1C(=O)NNC(=O)C1CCC1	264817615	WUEBCLGRNJKYSI-UHFFFAOYSA-N	324.402	1.431	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1cc(-c2cccnc2)ccc1C	366568704	GJMPSPNCUAVWJH-UHFFFAOYSA-N	312.329	1.163	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1ccc(C#N)cc1F	274027134	BRTMKKHJXAFBMF-UHFFFAOYSA-N	320.324	1.219	50	20	DDGD	
Cc1ccc2cccc(NC(=O)C(=O)NNC(=O)C3CC3)c2n1	274108802	YAMAKBUMMIUYPG-UHFFFAOYSA-N	312.329	1.039	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1csnc1C	278753895	WZDQVDZGKAJMHZ-UHFFFAOYSA-N	301.368	1.002	50	20	DDGD	
CSSCCNC(=O)N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1	367082315	ZNTDSZVHOQCPEA-GMXVVIOVSA-N	320.480	1.976	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)Cc2noc3ccccc23)CC1	273983194	QRKGRNMVZUILDQ-UHFFFAOYSA-N	303.343	1.813	50	20	DDGD	
COc1ccc(NNC(=O)NCC2([S@](C)=O)CCC2)nc1	281595921	QWUFRHNSVTXFPB-NRFANRHFSA-N	312.395	1.018	50	20	DDGD	
CNCCC(=O)NNc1c(F)cc(F)cc1Br	285777641	MVANCBDJOOAQOV-UHFFFAOYSA-N	308.126	1.780	50	20	DDGD	
CCOC(=O)N1CCC[C@H](C(=O)NNc2ncccc2F)C1	286046635	RDWPBLTZFUOUOM-JTQLQIEISA-N	310.329	1.532	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1cncc(-n2ccnn2)c1	282752422	BFYRMHOWUPUZIE-UHFFFAOYSA-N	314.349	1.004	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)c1ccc(Cl)cc1OC)C(C)C	281061163	LKXSMBIOKDNVOR-LBPRGKRZSA-N	323.780	1.950	50	20	DDGD	
CCOC1(C(=O)NNC(=O)COCc2ccccc2)CCCC1	283860605	IHYNWEHYLWXOKG-UHFFFAOYSA-N	320.389	1.700	50	20	DDGD	
COCCCOCC(=O)NNC(=O)Nc1cc(F)cc(F)c1	283680851	HKKNCFXTOHCOER-UHFFFAOYSA-N	317.292	1.171	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H]1CCN(c2ccccc2F)C1	294276058	VHHHQSIBXCBLPH-LBPRGKRZSA-N	305.353	1.600	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNc1nccnc1C1CCC1	805465755	RNPULOWTZVIGMK-UHFFFAOYSA-N	300.366	1.797	50	20	DDGD	
O=C(Cc1n[nH]c2c1CCCC2)NNc1cnnc2ccccc12	806857823	WZDFJIUPCTVFMJ-UHFFFAOYSA-N	322.372	1.918	50	20	DDGD	
COc1cccc(C[C@@H](O)C(=O)NCCSSC)c1	803478142	ARXXGLFSOICUEZ-GFCCVEGCSA-N	301.433	1.726	50	20	DDGD	
C[C@H](NC(=O)C1CCCCC1)C(=O)NNc1ncccc1F	804217404	XRBOWSQBTZBMNY-JTQLQIEISA-N	308.357	1.749	50	20	DDGD	
COc1cc(OC)c(OC)cc1/C=C/C(=O)NNC(=O)N(C)C	299377613	MTBXYDZOEPYXCK-VOTSOKGWSA-N	323.349	1.028	50	20	DDGD	
O=C(Cn1ncc2ccccc2c1=O)NNc1cccc(F)n1	804769194	IGDLVUJKQBITAF-UHFFFAOYSA-N	313.292	1.074	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1ccc(-n2cccc2)nc1	802030302	YPCUCKATYJYDAP-UHFFFAOYSA-N	322.328	1.156	50	20	DDGD	
CSCC[C@H](C)NC(=O)NNc1ccc(-n2ccnc2)nn1	805135127	GTFJIUAKPOXTST-JTQLQIEISA-N	321.410	1.430	50	20	DDGD	
Cn1nc(CNC(=O)NNc2cccc(F)n2)c2ccccc21	805281807	DGMBXCJLDHRBJF-UHFFFAOYSA-N	314.324	1.934	50	20	DDGD	
O=C(Cc1n[nH]c2ccccc12)NNc1ccc(Cl)nn1	806882283	QHYZRQQOKBFTNW-UHFFFAOYSA-N	302.725	1.692	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@H](C)C(C)(F)F	294864852	YKUQBSHCCSFLGI-VIFPVBQESA-N	300.305	1.676	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)COCc2ccccn2)n1	806932631	IEIAEKFQQUPDBE-UHFFFAOYSA-N	307.741	1.493	50	20	DDGD	
COc1ccc(OCC(=O)NN=C(C)C[C@@H]2CCC(=O)N2)cc1	811630232	DHSZUKJCCNLCIB-LBPRGKRZSA-N	319.361	1.235	50	20	DDGD	
C[C@@H]1CN(C2CC2)CC1=NNC(=O)COc1ccccc1O	814952154	MZFWXCDAJNZIKY-LLVKDONJSA-N	303.362	1.357	50	20	DDGD	
Cc1ncc2n1CC[C@H](C(=O)NNc1nccnc1C(C)C)C2	811462114	LIWTXNAMQRYAER-LBPRGKRZSA-N	314.393	1.811	50	20	DDGD	
COc1ccccc1CC(=O)NN=C(C)C[C@@H]1CCC(=O)N1	811639071	NLTZHHPSVKYCBP-ZDUSSCGKSA-N	303.362	1.399	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(F)c(C#N)c1	819727844	LWGWWHGVRYZNFE-UHFFFAOYSA-N	323.324	1.248	50	20	DDGD	
Cc1nnsc1C=NNC(=O)Cc1nc2ccccc2n1C	814215647	RTQMCNLBBUTPSM-UHFFFAOYSA-N	314.374	1.426	50	20	DDGD	
O=C1CC(C(=O)NNc2nccnc2Cl)(c2ccccc2)C1	810408104	VSNQMEBKIYQWFM-UHFFFAOYSA-N	316.748	1.874	50	20	DDGD	
CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)NNc3ccccc3)[C@H]2C1	812433033	IJLCHPNOLXJIOJ-CWRNSKLLSA-N	316.405	1.960	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NN=C(C)c2csnn2)c1	814883412	MSIDPEZKVWAAKC-UHFFFAOYSA-N	304.335	1.046	50	20	DDGD	
CC(C)(CNC(=O)[C@H](Br)C(C)(C)C)OCCO	813841927	ZDCRCWZWYSWEOO-VIFPVBQESA-N	310.232	1.700	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1csc(-c2ccc(O)cc2)n1	726379478	KKXCBPDHFJJPQB-UHFFFAOYSA-N	303.343	1.687	50	20	DDGD	
CC(Cn1cccn1)=NNC(=O)[C@H](C)CN1CCCCCC1	814766611	MXIPIIJMXZCEOZ-CQSZACIVSA-N	305.426	1.887	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NC[C@H]1C[C@H]2C=C[C@H]1CC2	817157371	IYUKRVREUHREEP-AEGPPILISA-N	314.389	1.557	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NNC(=O)c1ccnnc1	817693404	OHKQFOWKFAVRKK-QMMMGPOBSA-N	315.171	1.047	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)Oc1ccccc1F)c1csnn1	814749111	WLBSDPDXIMHABV-SECBINFHSA-N	308.338	1.985	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1cc(Br)ccc1O	727650004	SZVPSEQCXJJYMB-UHFFFAOYSA-N	314.183	1.557	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNC(=O)c2cccc(C#N)c2)c1	728826457	IYVPNKHWSHWTMM-UHFFFAOYSA-N	323.308	1.420	50	20	DDGD	
CC(C)(C)OC(=O)N1CC=C(C(=O)NN=c2cc[nH]cc2)CC1	497314456	NMUWVQNFHITYAB-UHFFFAOYSA-N	318.377	1.514	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H](C)Cc1cnc[nH]1	822731915	REJFTXYZGMWRTA-VIFPVBQESA-N	320.324	1.657	50	20	DDGD	
CNC(=S)N(C)NC(=O)C(F)(F)c1cnc(Cl)c(C)c1	822547784	PVIZEENNSKYRSO-UHFFFAOYSA-N	322.768	1.603	50	20	DDGD	
C[C@@H](CNC(=O)/C(C#N)=C/c1cnn(C)c1)N1CCCC[C@H]1C	491013759	VDOCWUQWVQUQAI-ZJSXCKLASA-N	315.421	1.706	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)/C=C/[C@H]2CCOC2)c1	493449155	GAZLDZLQXYHORR-GJBLVYBDSA-N	318.373	1.422	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@H](C)OC)c1C	490702026	YGDNCQQTJSCTHL-LWLPBDFMSA-N	319.405	1.809	50	20	DDGD	
CCCC[C@](C)(F)C(=O)NNC(=O)CNC(=O)c1ccco1	825267887	YXNXJCKHTKQUNV-AWEZNQCLSA-N	313.329	1.075	50	20	DDGD	
Cc1nnc(C(=O)NNC(=O)C(C)(C)c2ccccc2)s1	826926273	BZHRRIRIOVDMEV-UHFFFAOYSA-N	304.375	1.585	50	20	DDGD	
CN(CCNC(=O)NNC(=O)C(C)(C)C)C(=O)OC(C)(C)C	491179232	PNGVVAWYEJTUSU-UHFFFAOYSA-N	316.402	1.230	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)NCc2ccco2)c(C)n1	906417162	KHWYVUYGCYHZHO-UHFFFAOYSA-N	302.334	1.744	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCc1ccccc1Br	823971559	WIRMINVFJIFTRQ-JTQLQIEISA-N	315.211	1.726	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cc3n(n2)CCCC3)cc1	825510747	GZPXBXMMCGEPTQ-UHFFFAOYSA-N	309.329	1.166	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1cnn(CC2CCC2)c1	901248205	TYDWLORVLSBJGM-UHFFFAOYSA-N	300.366	1.489	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cccc(C(=O)O)c1)C1CC1	820136381	RNZBMYVWWQNNGH-MRVPVSSYSA-N	307.375	1.292	50	20	DDGD	
C[C@H](O)C[C@@H]1CCCCN1C(=O)/C(C#N)=C/c1cnn(C)c1	490975890	QEPDMOSJBRWDNI-CJMFJESPSA-N	302.378	1.479	50	20	DDGD	
COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)/C(C#N)=C\c1cnn(C)c1	491051668	TVNXWEKWZKXMHH-JYPUUYBRSA-N	316.361	1.127	50	20	DDGD	
COc1ccsc1S(=O)(=O)NN(C)C(=O)OC(C)(C)C	495899600	ZUNYEEBMPSDPRV-UHFFFAOYSA-N	322.408	1.817	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(C(=O)O)nc1	737905592	NCKUAMYTASBNPZ-UHFFFAOYSA-N	318.241	1.916	50	20	DDGD	
CCCCc1ccc(C(=O)NNC(=O)c2cnn(C)c2)cc1	735444614	YYRXKNFIIKONDW-UHFFFAOYSA-N	300.362	1.838	50	20	DDGD	
CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)NNC(=O)C(C)(C)C)C1	734220079	DAYDZTRMBIEDCA-WDEREUQCSA-N	312.414	1.010	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCO[C@H](C(=O)O)C1	836716528	WUPMBSWEQSLYGX-YUMQZZPRSA-N	308.172	1.108	50	20	DDGD	
CNC(=O)/C(C#N)=C/c1ncc(I)s1	490943717	SSAPQNDZEFHRHR-GORDUTHDSA-N	319.127	1.401	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2cncnc2N2CCCC2)cn1	491176803	RVKZDPYFQSVYHF-AWNIVKPZSA-N	323.360	1.356	50	20	DDGD	
C#CCCCC(=O)NN=C1CS(=O)(=O)Cc2ccccc21	901326684	NZIPWXXPJGWYPN-UHFFFAOYSA-N	304.371	1.239	50	20	DDGD	
CCO/C=C\C(=O)NNC(=O)Cn1c(CC)nc2ccccc21	493452245	DCYXBMINBWJDLZ-KTKRTIGZSA-N	316.361	1.296	50	20	DDGD	
CCc1noc(NC(=O)NNC(=O)CCc2ccccc2)n1	836671730	XTOWSURVJSYLST-UHFFFAOYSA-N	303.322	1.418	50	20	DDGD	
CCCOc1ccccc1NCc1ccc(B(O)O)cc1F	585012188	OLYUMYJNBCKLIR-UHFFFAOYSA-N	303.142	1.906	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1ccccc1O	732306136	ZSDLJFLMSYSSEC-UHFFFAOYSA-N	306.343	1.553	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)COCC(F)(F)F)c1F	837058332	RDFOEFXUTQNQDG-UHFFFAOYSA-N	324.230	1.634	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C2CCSCC2)c1	732931230	OAIFKZWBLTYSLJ-UHFFFAOYSA-N	324.402	1.608	50	20	DDGD	
COC(=O)CC1CCN(C(=O)[C@@]2(C)C[C@@H]2Br)CC1	906370690	BYNFOKGNOQINFF-GWCFXTLKSA-N	318.211	1.962	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@H]1CSc2ccccc21	838629290	SKYIEMFGSPEXQC-JTQLQIEISA-N	309.391	1.243	50	20	DDGD	
O=C(CCc1ccc(-c2ccccc2)o1)N1CC[C@H](B(O)O)C1	585074370	LZGPZTHSNVOGAL-AWEZNQCLSA-N	313.162	1.955	50	20	DDGD	
CC(C)(CC(=O)NNC(=O)c1ncon1)c1ccc(F)cc1	832830116	IATARZPGVMSBGK-UHFFFAOYSA-N	306.297	1.338	50	20	DDGD	
COC(=O)N1CCC(C(=O)NNc2nccnc2C(C)C)CC1	834580241	HIFUJQXGXUSQJZ-UHFFFAOYSA-N	321.381	1.522	50	20	DDGD	
C[C@H](c1ccccc1)N1CC[C@H](NCc2ccc(B(O)O)cc2)C1	585022752	YJLSWVDBWYNQSO-BEFAXECRSA-N	324.233	1.292	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C(=O)C(C)(C)C)c1	733885043	QGKNJVOZMKHHTB-UHFFFAOYSA-N	306.362	1.445	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNC(=O)c1ccc(CC)cc1	839466435	XMWVJRJNVYSBRU-CYBMUJFWSA-N	306.362	1.599	50	20	DDGD	
CO[C@](C)(C1CC1)[C@H](C)N[C@@H](C)C(=O)NNC(=O)CC(C)C	839639082	LROHVFQPGBKNEZ-MKBNYLNASA-N	313.442	1.362	50	20	DDGD	
O=Cc1ccc(OC(F)(F)C(=O)NNC(=O)c2ccc[nH]2)cc1	731597834	ABGNJNHTXBHOAG-UHFFFAOYSA-N	323.255	1.260	50	20	DDGD	
CC[C@H](CC(F)(F)F)NC(=O)NNC(=O)[C@H]1CCCCO1	836401042	YAAMLQNLXMVRAE-RKDXNWHRSA-N	311.304	1.617	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2nc(C)c3ccccc3n2)nn1	730024658	AHGCOGGUYIUTCR-UHFFFAOYSA-N	323.360	1.863	50	20	DDGD	
C[C@H]1C[C@H](C)CN(C(C)(C)CNC(=O)NNC(=O)C2CCC2)C1	732243168	SPYGJSCVJNIVJC-STQMWFEESA-N	324.469	1.873	50	20	DDGD	
COC[C@H](C)CNC(=O)NNc1ccc(C(=O)OC)cc1F	838482049	LLGZXEJGFDSABV-SECBINFHSA-N	313.329	1.521	50	20	DDGD	
C[C@@H](NCc1ccc(B(O)O)cc1)c1ccc2c(c1)CCC(=O)N2	585041497	YJBFXXVFAFQXOG-GFCCVEGCSA-N	324.189	1.102	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2cccc3c2OCO3)n1	915956839	DHYWRABCNUAJPU-UHFFFAOYSA-N	303.343	1.873	50	20	DDGD	
COc1cc(C(=O)NN(C)C[C@@H](C)O)cc(OC)c1C(C)C	910152851	VNFPNAYMQQZIGS-LLVKDONJSA-N	310.394	1.785	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=O)CC(F)(F)F)cc1	918365035	XGHRYHMBOSOMFU-UHFFFAOYSA-N	303.240	1.358	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCCc1nnc(-c2ccccc2)o1	910170785	ODUVQKFERSDXIB-GFCCVEGCSA-N	318.377	1.403	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1ccc(C)cc1O)C1CCOCC1	834940646	BNJFMZYXNMIEQQ-HNNXBMFYSA-N	306.362	1.858	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCC[C@@H]1C[C@H]2CC[C@H]1O2	838752371	GVNQEBRPSPVIGN-UMVBOHGHSA-N	317.389	1.897	50	20	DDGD	
CCC(CC)(NS(=O)(=O)c1ccc(CCl)cc1)C(N)=O	914022589	YQHQXFQXOQZISV-UHFFFAOYSA-N	318.826	1.748	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)CC1(O)CCCC1	746097524	JGUVBCYXEAWZMI-UHFFFAOYSA-N	310.325	1.047	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F	910144712	LGEFDAHSUAXMRY-SSDOTTSWSA-N	321.255	1.571	50	20	DDGD	
O=C(NNC(=O)c1ccc2nc(O)oc2c1)NC1CCCCC1	919835506	RDKKWQDDPFCDAX-UHFFFAOYSA-N	318.333	1.810	50	20	DDGD	
CC[C@@H]1C[C@H]1NC(=O)NNc1ncc(Br)cn1	847364828	AIIQYHYLNRQVNA-HTRCEHHLSA-N	300.160	1.664	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CO[C@@H]2CCC[C@H](C)C2)n1	746623115	DLGLIZYNNYDEJH-CMPLNLGQSA-N	308.382	1.832	50	20	DDGD	
O=C(CCN1CCCCCC1)NN=Cc1cnc2cnccn12	746368387	IZKBLUHDBWEUNL-UHFFFAOYSA-N	314.393	1.446	50	20	DDGD	
CCn1cc(NC(=O)NNc2ccc(CC(=O)OC)cc2)cn1	844490625	LCHRUKHJFAFWSS-UHFFFAOYSA-N	317.349	1.767	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1ccc2n[nH]cc2c1	746594150	ZGTLPKMMILJIJL-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
Cn1nc(C2CC2)nc1CC(=O)NNc1ncccc1Cl	844134318	IKTANDKMWKZTFG-UHFFFAOYSA-N	306.757	1.427	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H](C)N1CCc2ccccc21	843660429	KGDZGYNRDKAXSI-OBJOEFQTSA-N	317.389	1.010	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=C1CCC(CS(C)(=O)=O)CC1	842548968	FOOJRDUCPZDIOD-CCQDYZPNSA-N	316.423	1.118	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C(=O)N2CCCC2)cc1C	748156527	GNZYJPAAOJECMO-UHFFFAOYSA-N	320.418	1.243	50	20	DDGD	
C[C@@H]1CCCc2ncc(C(=O)NNC(=O)N=c3cc[nH]cc3)n21	846093870	HXINOBSQSFTFAM-SNVBAGLBSA-N	314.349	1.064	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1ccc(O)c([N+](=O)[O-])c1	749612767	RYFFOBWDDMJPKJ-UHFFFAOYSA-N	317.305	1.415	50	20	DDGD	
COC(=O)c1cnc(C(C)=NNC(=O)[C@H]2CCCCO2)s1	841641548	YRGARGBPCCSPCT-SECBINFHSA-N	311.363	1.339	50	20	DDGD	
CC(C)(C)OC(=O)c1ccc(C(=O)NNC(=O)C(C)(C)C)cn1	845214196	UPCYCMWFTFHKOS-UHFFFAOYSA-N	321.377	1.844	50	20	DDGD	
O=C(NC[C@H]1CC(=O)N(C2CC2)C1)NNc1cc(F)ccc1F	921870478	NLUXYLSNLWJXFR-SECBINFHSA-N	324.331	1.602	50	20	DDGD	
CNCCCNC(=O)NNC(=O)c1cc(C)nc2ccccc12	841914264	AYFIUZPKECUFTK-UHFFFAOYSA-N	315.377	1.097	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H](C)Cc2ccc(C#N)cc2)nc1O	848367631	KKTIODHVZWYVCC-VIFPVBQESA-N	312.333	1.079	50	20	DDGD	
CCO[C@@H]1CCCC1=NNC(=O)CCCNC(=O)C(C)(C)C	853408409	QWAZDOHVHSBHSL-CYBMUJFWSA-N	311.426	1.990	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2CC2)cc1-c1ccccn1	754873161	CIFKDCBVEGJHFN-UHFFFAOYSA-N	311.341	1.928	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NC[C@@H](O)C(F)(F)F	752519191	XXUCSDPZPGTEGD-YOOZJCNJSA-N	302.227	1.772	50	20	DDGD	
CCN1C[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2F)CC1=O	855620707	CYWWUHYIYVTUNM-MRVPVSSYSA-N	310.285	1.045	50	20	DDGD	
C[C@@H](C(=O)NC(N)=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	852522252	HOFCANKNBJSIHX-WDEREUQCSA-N	315.490	1.666	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NN=C1CCCOC1	853376611	QFOHYGRLODIPLY-TZMCWYRMSA-N	306.366	1.170	50	20	DDGD	
COc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	855006479	OOMQEHZLEAUDAX-SDJAHQOYSA-N	318.373	1.371	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ncccc2F)[C@@H]2CCCC[C@@H]2N1	854416477	SVMVESKAUMNYMS-NHCYSSNCSA-N	306.341	1.359	50	20	DDGD	
O=C(CNC(=O)Nc1cccc(Cl)c1)NNc1ccccn1	857481676	GMZIHEOHIJEOGM-UHFFFAOYSA-N	319.752	2.000	50	20	DDGD	
COCC(COC)NC(=O)NC[C@]1(C)C[C@@H]1Br	856861747	JGMOWPWAMOLDFJ-ONGXEEELSA-N	309.204	1.121	50	20	DDGD	
CC(C)(C(=O)NNC(=O)OCC(F)(F)F)c1ccccn1	856020584	MIYWRKBEKBDUIP-UHFFFAOYSA-N	305.256	1.679	50	20	DDGD	
COC(=O)CCC(C)=NNC(=O)CNc1ccccc1OC	756870281	JWFLKHGEJQZZJZ-UHFFFAOYSA-N	307.350	1.552	50	20	DDGD	
CCNC(=O)CN(CC)C(=O)NC[C@@]1(C)C[C@@H]1Br	856901158	SYVSYSHZOOCUIX-JOYOIKCWSA-N	320.231	1.328	50	20	DDGD	
C[C@@H](Cc1cccc(Cl)c1)C(=O)NNC(=O)Cc1cc[nH]n1	755290469	PJPPTIYASAOGFQ-JTQLQIEISA-N	320.780	1.632	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ncoc1-c1ccon1)C1CC1	855096615	YYLPWRCILDVUSC-SSDOTTSWSA-N	321.362	1.237	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ncc(F)cc2F)[C@@H]2CCCC[C@@H]2N1	854898777	BTZWBFUEERWFOI-NHCYSSNCSA-N	324.331	1.498	50	20	DDGD	
C#CCC[C@H](O)CNC(=O)NC[C@@]1(C)C[C@H]1Br	856959648	WJUICUFDHVYUGS-HOSYDEDBSA-N	303.200	1.233	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)ccc1F	853387640	HIRHPJGGONAUJL-HIFRSBDPSA-N	305.353	1.447	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1sc(C(C)(C)C)nc1C	854925888	OVUUHGZLVLLJCT-UHFFFAOYSA-N	300.453	1.830	50	20	DDGD	
CCOC1CCC(=NNC(=O)C(=O)Nc2ccccn2)CC1	853319198	LDKPGTUNUTVTFU-UHFFFAOYSA-N	304.350	1.471	50	20	DDGD	
C[C@]1(CNC(=O)c2c[nH]nc2[N+](=O)[O-])C[C@@H]1Br	857391635	RSNHNRRBDHYLIS-IMTBSYHQSA-N	303.116	1.221	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccc3nc[nH]c3n2)C[C@@H]1Br	857396200	ZGPRYNDFNCTSFP-CABZTGNLSA-N	309.167	1.861	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)NC2CC=CC2)c1	759777356	JWWNDYBLOJKKSU-UHFFFAOYSA-N	305.334	1.366	50	20	DDGD	
O=C(CN1Cc2ccccc2C1=O)NN=c1cc[nH]cc1Cl	757420075	MVZSAGOQQIKUSA-UHFFFAOYSA-N	316.748	1.256	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1cc2occc2[nH]1	750827829	BXMGUQRTAAMGGJ-UHFFFAOYSA-N	317.276	1.740	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2cnc(C)o2)c1C	854147097	VALOUPSEAWEFAE-UHFFFAOYSA-N	318.333	1.904	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cccc(OC)c1C	854388688	SMDCVMRVVUGLHA-UHFFFAOYSA-N	324.377	1.554	50	20	DDGD	
O=C(NNC(=O)C1(Cc2cccc(F)c2)CCC1)c1cc[nH]n1	855356836	SONRFEALKCSMJA-UHFFFAOYSA-N	316.336	1.723	50	20	DDGD	
CC(C)Oc1cncc(C(=O)NNC(=S)N[C@H](C)C2CC2)c1	855098935	OMWCNBDRIXRPGO-SNVBAGLBSA-N	322.434	1.776	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cccc(-n2ccnn2)c1	755419834	FETNOEKVZMFNQV-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
COCC(=NNC(=O)Cc1nc2ccccc2n1C)C1CC1	754254328	KRFCCSPREUQVRB-UHFFFAOYSA-N	300.362	1.644	50	20	DDGD	
CC(C)[C@H](CNC(=O)NC[C@]1(C)C[C@@H]1Br)C(=O)O	857101338	TZEROHVDWQGRAA-AUTRQRHGSA-N	321.215	1.816	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)/C=C/[C@@H]2CCOC2)c1C	855624961	XOBLRJGKXHQADH-NNNHXZLVSA-N	304.346	1.817	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(OC)c(OCC)c1	755965991	SWMZOXAHEUSZCO-UHFFFAOYSA-N	311.338	1.283	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNc1nc2ccccc2[nH]c1=S	869375736	FVJDCDUDVFIHTA-SECBINFHSA-N	319.390	1.650	50	20	DDGD	
C[C@H](NNC(=O)C1CCC(C(=O)N(C)C)CC1)C(F)(F)F	862322770	PKOZPEDQGKNWKV-IDKOKCKLSA-N	309.332	1.453	50	20	DDGD	
COc1cc(Cl)c(C)cc1NCc1ccc(B(O)O)cc1	864020860	BMVBBJIUAQZOIH-UHFFFAOYSA-N	305.570	1.949	50	20	DDGD	
CC(C)C1(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)COC1	935860032	ITYFOUDXCCITEK-UHFFFAOYSA-N	321.333	1.241	50	20	DDGD	
CCN1CCOC[C@@H]1C(=O)N(C)NC(=O)OCc1ccccc1	862288970	ADXJTBHOXZQUGG-CQSZACIVSA-N	321.377	1.007	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)CCc2ccc(F)cc2)n[nH]1	867068471	OODAGORTSUAXMU-JTQLQIEISA-N	318.352	1.887	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F)C(F)(F)F	862317437	GSOANTAGQXELID-WDSKDSINSA-N	321.221	1.111	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cc2c(s1)CCC2)C1CCC1	863854136	JPTDWFIEAJINHC-UHFFFAOYSA-N	307.419	1.482	50	20	DDGD	
CC(C)[C@H](NC=O)C(=O)NNC(=O)Nc1ccc(Cl)cc1	861565101	FUZPBJBXYXMYGI-NSHDSACASA-N	312.757	1.263	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)CN(C)C)CN(Cc2ccccc2)C1	767378564	RNHJQUFVLDUEDF-CQSZACIVSA-N	302.422	1.562	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)c2cn[nH]c2)c1CC	862469892	DYZDDUHBJNWRJN-UHFFFAOYSA-N	304.354	1.044	50	20	DDGD	
CC(C)[C@@H]1CCCCC1=NNC(=O)[C@@H]1CCS(=O)(=O)C1	764675964	MUEXIJMEFNFLBI-NEPJUHHUSA-N	300.424	1.740	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C2(F)CCOCC2)c1	864460805	HEGVWVKKDJVLPV-UHFFFAOYSA-N	324.352	1.348	50	20	DDGD	
Cc1nn2c(C=NNC(=O)c3ccncc3)c(C)nc2s1	765542078	FKMMJZQSPQBJAQ-UHFFFAOYSA-N	300.347	1.567	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@H]2CCSC2)cc1OC	761816996	GWTNEVLTWCFSCN-LLVKDONJSA-N	324.402	1.608	50	20	DDGD	
COCCn1cc(C(=O)NC[C@@]2(C)C[C@H]2Br)cn1	869356003	BWPGZPZFQXWUSM-ZYHUDNBSSA-N	316.199	1.433	50	20	DDGD	
C=CCCOCC(=O)NNC(=O)CSc1ccccc1OC	762349749	MXLPQFZAHDBKQU-UHFFFAOYSA-N	324.402	1.527	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C2(F)CCOCC2)c2ccccc21	864583877	BLQRRMQOLNPJIX-UHFFFAOYSA-N	319.336	1.458	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1ccncc1)c1ccc(F)cc1F	1116185652	QFENLYUOYNWTLV-JTQLQIEISA-N	319.311	1.853	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(Cl)nn2)nc1Cl	768711994	MTRWJNPQDGTIDI-UHFFFAOYSA-N	314.132	1.944	50	20	DDGD	
COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)CCl	1116437572	HWVYAVMLOUCJEZ-UHFFFAOYSA-N	318.782	1.313	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)C2CCOCC2)cnn1CC(C)C	879069524	IHDAIMPHZZARLZ-UHFFFAOYSA-N	323.397	1.427	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCCCN1CCCC[C@H]1C	875078610	QRBRZGOMCMDHST-GFCCVEGCSA-N	300.403	1.553	50	20	DDGD	
CC(=NNC(=O)c1ccccc1F)C1CCS(=O)(=O)CC1	777420450	CIMADRVZOUQFMZ-UHFFFAOYSA-N	312.366	1.756	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C(C)Cn2cccn2)c1	1117742788	VUCLBSYXLICCQG-UHFFFAOYSA-N	302.334	1.706	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1cnc2ccsc2c1	872401682	FGHVAQUOPSHUBE-UHFFFAOYSA-N	307.375	1.800	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1ccc(F)cc1Br	1116285151	ACHLSWKYNFNYRE-UHFFFAOYSA-N	317.114	1.601	50	20	DDGD	
CCCCOc1cc(C=NNC(=O)C(=O)OC)ccc1OC	1116189421	NWNGNJJOMACAQB-UHFFFAOYSA-N	308.334	1.497	50	20	DDGD	
CCOc1cc(C=NNC(=O)COCCOC)ccc1OC	872403553	QGTNGXXKDIJBSY-UHFFFAOYSA-N	310.350	1.207	50	20	DDGD	
CSCC[C@H](C)N(C)CC(=O)NNC(=O)c1cccc(C)c1	777617430	KMBVYMWQSCSSDO-ZDUSSCGKSA-N	323.462	1.829	50	20	DDGD	
CCCCOCC(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874951353	MTRXWIXALAQDSB-UHFFFAOYSA-N	324.450	1.887	50	20	DDGD	
CCCc1nc(C)c(NC(=O)NNC(=O)c2cnccn2)s1	777016096	MTFNAGKCHMQXFC-UHFFFAOYSA-N	320.378	1.661	50	20	DDGD	
CN(C)CC1(C(=O)NNC(=O)c2ccc(Cl)cc2O)CC1	878341310	VUMYPWWTOGKNRD-UHFFFAOYSA-N	311.769	1.148	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H](C)CN2CCOCC2)ccc1F	1116374289	WRZOZGVEAUKLCW-LBPRGKRZSA-N	323.368	1.253	50	20	DDGD	
CNC[C@@H](C)CNC(=O)NNc1ccc(C(=O)OC)c(F)c1	1117967144	SGOIDXXQQPJVOW-SECBINFHSA-N	312.345	1.094	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN(Cc1cccnc1)C1CC1	772247902	JUEUOLPAHJUVMJ-UHFFFAOYSA-N	304.394	1.240	50	20	DDGD	
C=C[C@H](CC(=O)O[C@H](C)C(=O)NNC(=O)CC)c1ccccc1	772221768	UCPWSIYEYHBOIW-CHWSQXEVSA-N	318.373	1.835	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)c1cccc([N+](=O)[O-])c1	770591987	ZXVJLNCPVREDBM-UHFFFAOYSA-N	301.306	1.655	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1ccc(-n2cccn2)cc1	775472726	FXRLNOXNGBQPSY-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(C)n(-c2ccc(F)cc2)n1	777371078	GKWMBFQFDMETSU-UHFFFAOYSA-N	319.340	1.674	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1CCNC(=O)NNC(=O)C1CCOCC1	883412769	OEHONFKPCUIQOX-CHWSQXEVSA-N	311.426	1.960	50	20	DDGD	
C/C=C\c1cn(CC(=O)NNC(=O)Cc2ccccc2C)nn1	881360384	MOFDQXZYAFDFII-UTCJRWHESA-N	313.361	1.010	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](CC)NC(=O)OC(C)(C)C	887146968	RTXBPPSOYKUWQR-LLVKDONJSA-N	311.382	1.241	50	20	DDGD	
CC(C)(C(=O)NNC(=O)C1CCOCC1)c1ccc(F)cc1	883066099	KKGQOKRESPXOFG-UHFFFAOYSA-N	308.353	1.677	50	20	DDGD	
CC(C[C@@H](C)CC(C)C)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	779769865	BHLJCPVREGCYRQ-WCQYABFASA-N	317.455	1.921	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccnn1	882060011	NIXZUKZHEWCTCN-RKDXNWHRSA-N	316.283	1.606	50	20	DDGD	
O=C(CCCNC(=O)C1CC1)NNc1c(F)cc(F)cc1F	885151150	XCTUQERHZLLRID-UHFFFAOYSA-N	315.295	1.853	50	20	DDGD	
C#CCCCC(=O)NNC(=O)COc1ccc2c(c1)CCC2	887139345	LABBYXDXSBCIEK-UHFFFAOYSA-N	300.358	1.505	50	20	DDGD	
O=C(CCc1nc2ccccc2[nH]1)NNC(=O)C1CCOCC1	883059624	FFGKOFKCOMGZGI-UHFFFAOYSA-N	316.361	1.070	50	20	DDGD	
O=C(NN=Cc1c(Cl)cccc1N1CCOCC1)C(F)F	782235466	QRKHZGCOSUXJNJ-UHFFFAOYSA-N	317.723	1.892	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@@H](F)C(C)C)o1	784361008	SJJZRUBZCIOOTO-ZDUSSCGKSA-N	313.373	1.877	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2cccnn2)Cc2ccccc21	883853235	GKBGPJLIEKJKCG-NSHDSACASA-N	311.345	1.450	50	20	DDGD	
C[S@](=O)Cc1cccc(C(=O)NNc2ccnc(F)c2)c1	781366249	AMNWBIZMXYUVEU-NRFANRHFSA-N	307.350	1.856	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)c1c[nH]c2ccccc12	1120519536	MKLPVPPFJGCUMG-BXUZGUMPSA-N	301.346	1.744	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cccc(C(=O)N(C)C)c1	899338332	JGYANLANANQLLS-GXDHUFHOSA-N	301.346	1.058	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCCO1)C(=O)NNc1ccc(C#N)cn1	899663674	JJXHCBOTORQHSK-YPMHNXCESA-N	304.350	1.371	50	20	DDGD	
COc1c(O)nc(O)nc1C(=O)NNc1cccc(Cl)c1	788633811	ZUAOBJFTYVMBOP-UHFFFAOYSA-N	310.697	1.307	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Nc2nnc(C)s2)c1	780455702	RSZSZVMJMGJRFI-UHFFFAOYSA-N	307.335	1.782	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	780761891	KQYDJADVDQIINH-NSHDSACASA-N	314.320	1.139	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2ccc(F)cc2Cl)C(=O)O1	896383914	WQPDOZJEKUTEER-LHLIQPBNSA-N	301.705	1.809	50	20	DDGD	
C[C@H]1Cc2cc(/C=C(\C#N)S(=O)(=O)NC3CC3)ccc2O1	899368247	GMSALONXENSKSK-CEITULEQSA-N	304.371	1.956	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)o1	786845166	LASLQWCFDYOEQL-ZJUUUORDSA-N	319.365	1.404	50	20	DDGD	
CC1(CCC(=O)NNc2nccc(N3CCOCC3)n2)CC1	896662728	CKLVKUPZFLSSHD-UHFFFAOYSA-N	305.382	1.337	50	20	DDGD	
CC(C)(N)CCNC(=O)NNC(=O)C(C)(C)c1ccccc1	892859737	ZHPQRGZAKQVNMR-UHFFFAOYSA-N	306.410	1.422	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42	793749116	QDFNJBWBJNXDOW-DMCWRTHBSA-N	300.337	1.453	50	20	DDGD	
COC(=O)N(C)NC(=O)CCC(=O)N[C@@H](C)c1ccccc1	897721236	CNPXFRAHHMQYDH-NSHDSACASA-N	307.350	1.373	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)c2cc3c(s2)CCC3)cnn1C	794180382	JYHOHDVSKSXBBT-UHFFFAOYSA-N	318.402	1.282	50	20	DDGD	
Cc1cnn(CCC(=O)NNc2cccc(F)c2[N+](=O)[O-])c1	790586231	SNYPLMNQYKUIAQ-UHFFFAOYSA-N	307.285	1.772	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2cn3cc(Cl)ccc3n2)CC1	790176769	UAYHQNREMRRAHC-UHFFFAOYSA-N	320.784	1.279	50	20	DDGD	
COc1cc(C)cnc1C(=O)NNC(=O)Cc1ccc(F)cc1	792571703	MOKRLWOHOXSFTB-UHFFFAOYSA-N	317.320	1.541	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(-n2ccc(C)n2)cc1	794398140	IICLFLUCWPBTMN-UHFFFAOYSA-N	316.365	1.879	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1ccc(O)nc1C	798312657	IWDJKIADUUHXRB-UHFFFAOYSA-N	300.318	1.871	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cccc(Cl)c2)ccn1	1317847543	JLJFPUHTZWUODD-UHFFFAOYSA-N	305.721	1.818	50	20	DDGD	
Cn1c(=O)cc(C(=O)NNC(=O)c2ccncc2)c2ccccc21	1317873608	OGOQHUVKNSQLKF-UHFFFAOYSA-N	322.324	1.008	50	20	DDGD	
CC(=O)N[C@@H](CC(=O)NNc1ccn(C)n1)c1ccc(C)cc1	1321105496	QJNIYAYXLAILEF-AWEZNQCLSA-N	315.377	1.439	50	20	DDGD	
Cn1ccc(NNC(=O)c2ccn(-c3ccccc3F)n2)n1	1320980330	BXOLBLYCDCPHPM-UHFFFAOYSA-N	300.297	1.502	50	20	DDGD	
C[C@H](CBr)CN1CCC(N2CCOCC2)CC1	701979821	YTCRSPYFTMYZFY-GFCCVEGCSA-N	305.260	1.814	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1cccc(SC(F)F)c1	1320508947	FMBYERDIWPEXGL-UHFFFAOYSA-N	305.306	1.536	50	20	DDGD	
COC(=O)C(=O)NN=C1CC(C)(C)Oc2ccc([N+](=O)[O-])cc21	1322039964	MIRBMXFHNHDINX-UHFFFAOYSA-N	321.289	1.149	50	20	DDGD	
O=C(NNc1cncc(Br)c1)[C@H]1C[C@H]2CC[C@H]1O2	1323066455	ILJXBZVSSTVPLU-OUAUKWLOSA-N	312.167	1.855	50	20	DDGD	
C[C@]1(Cn2nnnc2N2C3CCC2CC3)C[C@@H]1Br	1334657368	LNQMCGHLGQRLCV-ILDFIYDHSA-N	312.215	1.978	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccncc2Cl)cc1	1252307925	AXZUCSKRAKNTLY-UHFFFAOYSA-N	305.721	1.818	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNc2nncc(N)c2Cl)s1	1253123921	MWHGXLOFPQUJMD-UHFFFAOYSA-N	311.754	1.733	50	20	DDGD	
C=C[C@@H](COC)NC(=O)NNC(=O)c1ccc(Cl)cc1F	1338093527	JEWMKBIHINOMJF-VIFPVBQESA-N	315.732	1.624	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cccc(C(=O)N2CCCCC2)c1	1263841817	WLPLVUGFQNUXFO-CYBMUJFWSA-N	319.405	1.270	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	1347903569	IQBSBEDFIYEERG-ZETCQYMHSA-N	314.729	1.606	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2cc(C3CC3)nn2C)nc1	1354632616	NAVSCAQPABYNMU-UHFFFAOYSA-N	300.366	1.827	50	20	DDGD	
O=C(CCc1cnccn1)NNc1cccc(F)c1C(=O)O	1601293794	IMKFQQDSBOOUCV-UHFFFAOYSA-N	304.281	1.390	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccccc2C(=O)O)c1	1601116461	FAAJIVMZCOUZJN-UHFFFAOYSA-N	309.281	1.331	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1c(C)csc1C(=O)O	1604919570	WDFRTXVEPBFHPE-ZCFIWIBFSA-N	320.392	1.110	50	20	DDGD	
Cc1csc(C(=O)O)c1NC(=O)C(=O)NNc1ccccn1	1607922644	CIAMRXHJPXGOAG-UHFFFAOYSA-N	320.330	1.232	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1cncc(Cl)n1	1607142144	WQRXZQVXXWWIAB-UHFFFAOYSA-N	322.708	1.594	50	20	DDGD	
Cc1nccc(CNC(=O)NNc2cccc(C(=O)O)c2F)n1	1607986374	CMUQDVNDQPUDTP-UHFFFAOYSA-N	319.296	1.449	50	20	DDGD	
O=C(COc1ccsn1)NNc1cccc(F)c1C(=O)O	1601345466	JOLKZQUHXZIBQN-UHFFFAOYSA-N	311.294	1.503	50	20	DDGD	
Cc1ncc(C(=O)NNc2cccc(C(=O)O)c2C)c(N)n1	1607975884	OTKGIBADXVNBLM-UHFFFAOYSA-N	301.306	1.131	50	20	DDGD	
Cc1csc(C(=O)O)c1S(=O)(=O)NCCCSC#N	1600653596	MTFAMLVPMPHQAG-UHFFFAOYSA-N	320.417	1.637	50	20	DDGD	
COCc1cc(C(=O)NNc2cccc(C(=O)O)c2C)no1	1606940038	YBWNHKOPDIOFBA-UHFFFAOYSA-N	305.290	1.585	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1ccc(C(=O)O)s1	1601370400	ZGPJCTZJUIQZAU-UHFFFAOYSA-N	320.330	1.237	50	20	DDGD	
Cc1cccc(C)c1OCC(=O)NNc1ccc(C(=O)O)cn1	1610520038	IPPRKJYZKZEXBW-UHFFFAOYSA-N	315.329	1.919	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CC1)C(Cl)Cl	1803467089	TYBCRUGWUZTPFI-ILWJIGKKSA-N	305.205	1.838	50	20	DDGD	
CC[C@](C)(C=NNC(=O)[C@H]1CCCO[C@H]1c1ccnn1C)OC	1549316472	SIJACHPYUZWCIT-JGGQBBKZSA-N	322.409	1.805	50	20	DDGD	
CC(=O)N1CC[C@H](CNC(=O)[C@H](F)Cl)[C@@H]1c1cccnc1	1808310839	KJAXVVSSGZMWOS-AGIUHOORSA-N	313.760	1.642	50	20	DDGD	
COCC(=NNC(=O)[C@H]1CCCO[C@@H]1c1ccnn1C)C(C)C	1549319124	IHHIPZIOFOEDQC-WFASDCNBSA-N	322.409	1.662	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@@H]1C(=O)NN=Cc1ccns1	1549313864	GAYILNBMKLZFOE-AAEUAGOBSA-N	319.390	1.495	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@@H]1C(=O)NN=Cc1cscn1	1549316547	PTNFWPJPEGMFCZ-AAEUAGOBSA-N	319.390	1.495	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)c(F)c1	1549903645	BLXHYDQZYGIVCA-UKRRQHHQSA-N	305.353	1.447	50	20	DDGD	
Cc1cc(C)n([C@@H](C)C(=O)NNc2ccccc2C(=O)O)n1	1610455695	NRTYTGRDBINCSI-NSHDSACASA-N	302.334	1.902	50	20	DDGD	
COC1(C=NNC(=O)[C@H]2CCCO[C@H]2c2ccnn2C)CCC1	1549317131	VPMKUWJPFGJKHA-GXTWGEPZSA-N	320.393	1.559	50	20	DDGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)C[C@@H](C)N	1579842298	WFACFRUEGNVTMC-SECBINFHSA-N	318.402	1.617	50	20	DDGD	
CC1(C)CCN[C@H]1C(=O)NNC(=O)Cc1c[nH]c2ccccc12	1576442851	JSBCWXQQYWOCMP-HNNXBMFYSA-N	314.389	1.246	50	20	DDGD	
C=C(Cl)C[C@H](N)C(=O)NNc1cc(Br)ncn1	1574857728	XXELQDDLLOZYPY-LURJTMIESA-N	320.578	1.152	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)C[C@@H](N)C(F)F)cc1	1575272779	NOPZBJKZWWORIZ-LLVKDONJSA-N	313.348	1.728	50	20	DDGD	
CC(=O)N1CC[C@@](C)(C(=O)NNc2cccc(C(=O)O)c2C)C1	1589061127	OPLXFSHJFGELAX-MRXNPFEDSA-N	319.361	1.395	50	20	DDGD	
C[C@]1(CNCC2(O)CCC(C(=O)O)CC2)C[C@@H]1Br	1589246976	OASWJOKZGKDEMO-CXFXUWLJSA-N	320.227	1.755	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cccnn1)C2	1845166055	YKLFDOBZUALRAR-LLVKDONJSA-N	322.796	1.311	50	20	DDGD	
O=C(NNc1nc2ccncc2s1)[C@H]1NCCc2occc21	1580742898	IYPPHHJSKDJUHF-LBPRGKRZSA-N	315.358	1.614	50	20	DDGD	
Cc1ncc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](F)Cl)[nH]1	1847910932	NTSUMUVFTGWFMZ-DCAQKATOSA-N	314.748	1.068	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1CC(=O)NNc1ccc(C(=O)O)c(F)c1	1594303575	XYHGXNOUZIMYOO-AOOOYVTPSA-N	309.341	1.840	50	20	DDGD	
Cc1nc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)sc1C	1592349237	KBXZKHIORJDIRE-UHFFFAOYSA-N	316.350	1.092	50	20	DDGD	
COc1ccc(NCC(=O)NN=C2CCC[C@@H](C(=O)O)C2)cc1	1599596863	CCPITRYATKIBBW-LLVKDONJSA-N	319.361	1.854	50	20	DDGD	
CCn1nc(C)cc1C(=O)NNc1cccc(C(=O)O)c1C	1597943047	KALDYGHAUPDLIZ-UHFFFAOYSA-N	302.334	1.975	50	20	DDGD	
COC[C@@H](NC(=O)NNc1ccc(C(=O)O)c(F)c1)C(C)C	1599174643	RYFJMSJELMFJID-GFCCVEGCSA-N	313.329	1.821	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cc(C(=O)O)cc2cccnc12	1598875446	DTLBKRGNYSTOHF-UHFFFAOYSA-N	318.289	1.668	50	20	DDGD	
COc1cc(NC(=O)NNc2cccc(C(=O)O)c2)ccn1	1599439584	IFRORYKUWXHPBE-UHFFFAOYSA-N	302.290	1.937	50	20	DDGD	
O=C(Cc1ccccc1C(=O)O)NNC(=O)NC1CCCCC1	1594709970	SZGBWSWUOCKJET-UHFFFAOYSA-N	319.361	1.590	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1ccc(C(=O)O)nc1	1776039231	ZJWBAYVQTFTGKO-UHFFFAOYSA-N	313.313	1.481	50	20	DDGD	
CC(C)(O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl	1796805862	BRGALCHZMKIKJY-WYFGTUCQSA-N	320.792	1.320	50	20	DDGD	
CCc1nnc(SCC(=O)NNC(=O)c2ccc(F)cc2)[nH]1	11712630	WOLCPHVTBWAGTL-UHFFFAOYSA-N	323.353	1.060	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)C[C@H]2CCS(=O)(=O)C2)c1	150800994	VKKIETXVFCIDPN-SNVBAGLBSA-N	300.355	1.402	50	20	DDGD	
COC(=O)NNC(=O)Cc1ccc(Br)cc1C	158706730	WRKQGHSOOZPAGW-UHFFFAOYSA-N	301.140	1.687	50	20	DDGD	
Cc1nc(CC(=O)NNC(=O)c2cccc(C#N)c2)c(C)s1	163122539	YYVIJTIZZXOAJC-UHFFFAOYSA-N	314.370	1.635	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc([N+](=O)[O-])cc2O)nc(C)n1	163849073	QGJTXZVBJCNCQS-UHFFFAOYSA-N	303.278	1.464	50	20	DDGD	
CCc1ccc(NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)cc1	152781955	LWCHVYJTVKUHKR-CQSZACIVSA-N	311.407	1.452	50	20	DDGD	
O=C(NNc1nccc(N2CCOCC2)n1)C1CCCCCC1	155505703	NMIKPWTWEMDEGD-UHFFFAOYSA-N	319.409	1.727	50	20	DDGD	
CC(C)(C)n1cc(NC(=O)C(=O)NNc2ccccc2F)cn1	155625107	BWPHZTUEPXDFDM-UHFFFAOYSA-N	319.340	1.859	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCC(C2OCCO2)CC1	184415384	WNNHZQJLFZSNAI-UHFFFAOYSA-N	311.831	1.420	50	20	DDGD	
CC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(CCl)cc2)C1	380065987	GTFKXOAKANHPRM-LBPRGKRZSA-N	316.810	1.325	50	20	DDGD	
C[C@H](NNC(=O)CNC(=O)OCc1ccccc1)C(F)(F)F	862309001	KNTBFXKPNUZOFG-VIFPVBQESA-N	319.283	1.484	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(-n3cncn3)cc2C)nc(C)n1	173835623	BOGBIAKXJUEAIX-UHFFFAOYSA-N	323.360	1.739	50	20	DDGD	
COCCOc1ccc(C(=O)NNc2nccnc2Cl)cc1	172288864	YJDJOOHXDXJMAO-UHFFFAOYSA-N	322.752	1.912	50	20	DDGD	
CCCCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc[nH]2)C1(C)C	175915380	UMAFEHGJBUITKD-CHWSQXEVSA-N	322.409	1.943	50	20	DDGD	
CSc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)NCC2CC2)c1	65192849	UTGHSCWTUZCRHP-UHFFFAOYSA-N	324.362	1.671	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCc1nccs1	109017834	MNCMLFBRPMTFLE-UHFFFAOYSA-N	308.338	1.355	50	20	DDGD	
N#Cc1cccc(NNC(=O)CNC(=O)c2cccc(F)c2)c1	119918306	ZESKUJSRBWPSRS-UHFFFAOYSA-N	312.304	1.570	50	20	DDGD	
C[C@H](C(=O)NNC(=O)NCc1ccco1)N1CCCCCC1	174297066	VGRSMKJOPRMHCY-GFCCVEGCSA-N	308.382	1.375	50	20	DDGD	
CCN1CCCC[C@@H]1CNC(=O)NNc1ccc(Cl)nn1	111511327	IKXDCAIUILAGPV-SNVBAGLBSA-N	312.805	1.631	50	20	DDGD	
O=C(NCCc1nnc2n1CCCCC2)NNc1ccccc1	114919573	AGTAYYLUFSWOKL-UHFFFAOYSA-N	314.393	1.873	50	20	DDGD	
CCOc1cnc(C(=O)NNc2cnc3ccccc3n2)cn1	188142046	NISZGJRMWGLUPG-UHFFFAOYSA-N	310.317	1.575	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2ccccc2F)s1	27802505	GFDGLEMDWVMMKB-UHFFFAOYSA-N	322.317	1.749	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1ccccc1N1CCOCC1	182503376	WTVNDEFNPSULHU-UHFFFAOYSA-N	316.336	1.814	50	20	DDGD	
Cc1ccc(C)c(CC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c1	76710529	LJNDGHWKOVEEAC-OAHLLOKOSA-N	324.446	1.338	50	20	DDGD	
O=C(NNc1cccnc1Cl)[C@@H]1CCCN(C(=O)C2CC2)C1	128312662	HCWHCQQTCIIKII-LLVKDONJSA-N	322.796	1.827	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C(C)C	68454912	JBCMJVJFOMYNGH-ZDUSSCGKSA-N	320.393	1.100	50	20	DDGD	
C[C@H]1C[C@H](CC(=O)NNC(=O)Cc2cc[nH]n2)CC(C)(C)C1	186153814	TVIANXQDIRQEAW-NWDGAFQWSA-N	306.410	1.952	50	20	DDGD	
C[C@H]1CC[C@H](C)N1CC(=O)NNC(=O)c1ccccc1Cl	120129356	WANJEHGEAFMCFM-QWRGUYRKSA-N	309.797	1.974	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2ccncc2[N+](=O)[O-])n1	183625147	LFASMNCLQBRNDJ-UHFFFAOYSA-N	303.282	1.545	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CC[C@@H](C)OC)cc1	181202537	OJWQGBBCDYEQLZ-GFCCVEGCSA-N	308.378	1.590	50	20	DDGD	
O=C(CN1CSCC1=O)NNc1ccc2ccccc2n1	181154682	NSSREEONCNYFQD-UHFFFAOYSA-N	302.359	1.211	50	20	DDGD	
Cc1ccc(Br)nc1C(=O)NNC(=O)C(C)(C)C	189752519	PALZQBTYLWAMPQ-UHFFFAOYSA-N	314.183	1.960	50	20	DDGD	
COc1ncccc1NC(=O)NNc1nnc(C2CC2)s1	185338122	PZOSYWUYSKSBKS-UHFFFAOYSA-N	306.351	1.968	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2COCCN2C2CCCC2)n1	188525426	YGYVPSXUZONCEC-AWEZNQCLSA-N	319.409	1.180	50	20	DDGD	
CCN(CC(=O)NNc1nnc(-c2ccccn2)s1)C1CC1	188189678	RXXROKKASWFXPQ-UHFFFAOYSA-N	318.406	1.528	50	20	DDGD	
COC(=O)[C@@H]1CN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CCO1	182630659	IWEQPUHNMGPOLS-UNJUUPHPSA-N	318.304	1.133	50	20	DDGD	
C=C(C)COCCNC(=O)NNC(=O)c1cccc(C#N)c1	134989174	XSKGKPOBELASMF-UHFFFAOYSA-N	302.334	1.095	50	20	DDGD	
COc1nccnc1NNC(=O)c1cnc2onc(C)c2c1	131820172	ZGXMRJFQOGOQEP-UHFFFAOYSA-N	300.278	1.087	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C(C)(C)F)ccc1OC(C)C	132435266	YIZZHJSUISTMPG-UHFFFAOYSA-N	312.341	1.992	50	20	DDGD	
CCC(=O)N1CCC[C@H](C(=O)NNc2nc(C)cc(C)n2)C1	47304214	RDBDFVCMWZYDFH-LBPRGKRZSA-N	305.382	1.185	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)c1cccc2ncccc12	132125483	LTCHGLVXDMKKNC-UHFFFAOYSA-N	301.346	1.668	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnc([C@H]3CCCO3)s2)o1	89775334	HWANKJAVDGYQKC-SNVBAGLBSA-N	321.358	1.971	50	20	DDGD	
COC[C@H]1CN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C[C@H](C)O1	194889749	CRJFQIJOQBVOSQ-RRUOQWNVSA-N	316.357	1.561	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(Br)cc1)S(C)(=O)=O	48733467	JCEAHGYADPABES-SSDOTTSWSA-N	321.196	1.325	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)Nc1nccs1	42755483	GYJIRBUAVNORHW-UHFFFAOYSA-N	307.291	1.518	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNc2cc(Cl)nc(N)n2)no1	134046646	OBAHCMVKCJRHPV-UHFFFAOYSA-N	310.745	1.755	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C(C)(C)C#N)ccc1OC(C)C	42127932	OTCKMYCNOXIYNV-UHFFFAOYSA-N	319.361	1.793	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccc(C(F)(F)F)c(F)c1	192920485	RYFYFEWQVXEZRD-UHFFFAOYSA-N	308.231	1.376	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)Nc2ncccc2O)cc(C#N)n1C	192734918	DXAXNABSQRRRPR-WUXMJOGZSA-N	307.313	1.851	50	20	DDGD	
COc1ccccc1C(=O)NCC(=O)NNc1cccc(C)c1	192652416	IKLFYYWVBJNQAW-UHFFFAOYSA-N	313.357	1.877	50	20	DDGD	
CCCC(=O)NNC(=O)c1cc(Br)ccc1O	266540683	KUKSHCAOSPHQPJ-UHFFFAOYSA-N	301.140	1.716	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C1=NN(c2ccccc2)C(=O)CC1	264663563	FAQPZHDUESVGFY-UHFFFAOYSA-N	314.345	1.117	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNC(=O)C(C)(C)c1ccccc1	265805606	OJLPXQZXCYSXMP-ZDUSSCGKSA-N	307.394	1.720	50	20	DDGD	
COCCCNC(=O)NNC(=O)C[C@H]1CCc2ccccc2C1	264941985	SBQYTINHDOQLIC-ZDUSSCGKSA-N	319.405	1.549	50	20	DDGD	
NC[C@H]1CN(C(=O)CCCC[C@H]2CCSS2)CCO1	368416973	OEHUQRQMWDCKBZ-RYUDHWBXSA-N	304.481	1.887	50	20	DDGD	
C[C@@H]1CN(CCI)C[C@]2(CCOC2)O1	366585314	XPEBSECLCWMFJV-ZJUUUORDSA-N	311.163	1.301	50	20	DDGD	
Cc1nc(-c2ccccc2NC(=O)NNc2cnccn2)no1	367447843	HIONFHSBUOLAOY-UHFFFAOYSA-N	311.305	1.984	50	20	DDGD	
O=C(NNc1ccccc1Cl)[C@H]1CCCCS1(=O)=O	275054895	MDSZAJMJERLBFR-LLVKDONJSA-N	302.783	1.750	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(C)nn1-c1ccccn1	274272219	RNNZWJNAJSOEKV-UHFFFAOYSA-N	317.353	1.274	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1COCCN1C1CCCC1	369398279	MRUYEPDHFJFCIO-LBPRGKRZSA-N	313.398	1.186	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)c1cccc(OC)c1O	274232283	QETGIODTRKVELJ-UHFFFAOYSA-N	310.350	1.225	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)[C@H]1COc2ccccc2O1	273491555	PHJXBLCAEVHGTK-CYBMUJFWSA-N	322.361	1.037	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccn(Cc2ccncc2)n1	273359168	AACNRTLMDBKVBM-UHFFFAOYSA-N	314.349	1.279	50	20	DDGD	
CCOC(=O)Cn1ccc2cc(NC(=O)NNC(C)=O)ccc21	274197427	NHWPYVBNHOSOSY-UHFFFAOYSA-N	318.333	1.377	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H](C)C2=CCN(C)CC2)nc1	276016110	UQXWQWZINUQBDL-NSHDSACASA-N	305.382	1.367	50	20	DDGD	
COC[C@@H](NC(=O)NNc1c(F)cccc1F)[C@H]1CCCO1	279828750	ZHDFPYOGDLAIFY-VXGBXAGGSA-N	315.320	1.785	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cc2n(n1)CCO2	377984814	LOSSMJQNGNBNEI-UHFFFAOYSA-N	310.260	1.634	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ccn(Cc2ccncc2)n1	272893897	ZCMYLIXUFFVDFV-UHFFFAOYSA-N	314.349	1.279	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@@H](C)c2nccs2)n1	280187091	GYTORKSTPMSOAE-SECBINFHSA-N	319.390	1.594	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)[C@H]1COCCN1C1CCCC1	281254208	QJKPFUYFCKYVNQ-CYBMUJFWSA-N	324.812	1.822	50	20	DDGD	
CSCCONC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	280181756	ZSZGJOJQBCVBPE-WUXMJOGZSA-N	304.375	1.523	50	20	DDGD	
C[C@H](CNC(=O)NNc1ncccc1F)CN1CCCCC1	287188223	UDVNFWWHSFPNLN-GFCCVEGCSA-N	309.389	1.969	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc2c(O)nccc2c1)[C@H]1CCOC1	287645207	ZQKWWBIMHNEWLA-JQWIXIFHSA-N	316.361	1.992	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCCc1nc(CCC)no1	281343669	UZQIPYSZSJSWIF-UHFFFAOYSA-N	311.411	1.026	50	20	DDGD	
COC(=O)[C@H]1CC[C@H](C(=O)NNC(=O)c2ccccc2O)CC1	281484475	IFWARUNMMWUBQT-XYPYZODXSA-N	320.345	1.133	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)Nc2nc(C)no2)c1	296770024	JLQLYVAQPDQADB-UHFFFAOYSA-N	319.321	1.227	50	20	DDGD	
CSc1ccc(C)c(C(=O)NNC(=O)C(=O)N2CCCC2)c1	299561288	NLAFFDYYNFEWNX-UHFFFAOYSA-N	321.402	1.100	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)C2CCCC2)cc1	291066507	APZCRUSSGRHPJK-UHFFFAOYSA-N	311.407	1.570	50	20	DDGD	
CN(NC(=O)c1ccc2[nH]c(=O)n(C)c2c1)C(=O)OC(C)(C)C	297817289	XGTDOUISMIFNHS-UHFFFAOYSA-N	320.349	1.378	50	20	DDGD	
CC[C@@H](C)NC(=O)CCNC(=O)NNc1ncc(F)cc1F	296987317	CKPGFQVTDXUURN-MRVPVSSYSA-N	315.324	1.291	50	20	DDGD	
COCCN(C)NC(=O)c1cn(-c2ccccc2Cl)nn1	297166771	SUNRHHMFQYCTAY-UHFFFAOYSA-N	309.757	1.144	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cc(F)cc3nn[nH]c23)c1	800480647	DYKIDLJVKALBPR-UHFFFAOYSA-N	324.275	1.043	50	20	DDGD	
CCOc1ccc(CCC(=O)NNC(=O)N2CCOCC2)cc1	299394844	STNCAYZYLURSCB-UHFFFAOYSA-N	321.377	1.091	50	20	DDGD	
CO[C@](C)(C(=O)NNc1nc(O)c2ccccc2n1)C1CC1	291897240	KSPJTGZNOPXLMN-HNNXBMFYSA-N	302.334	1.594	50	20	DDGD	
CC(C)(CNC(=O)/C(C#N)=C\c1ccc(O)cc1)OCCO	292114433	PUICSNVOAOAZFX-LCYFTJDESA-N	304.346	1.203	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2ccc3c(c2)N(C)CC3)O1	296106150	BBAROFDUXFAFQG-HZMBPMFUSA-N	318.377	1.399	50	20	DDGD	
C=CCN(CC(=O)NNC(=O)Cc1ccccc1C)C1CC1	299601282	IPJOHMYRJPRWNY-UHFFFAOYSA-N	301.390	1.335	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)CCc2ccccc2O)nn1	807969439	DKAOYQCQWLXTDP-UHFFFAOYSA-N	301.350	1.648	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1oc(C(C)C)nc1C	292398653	JCBXYTJKUVQMIQ-UHFFFAOYSA-N	324.381	1.172	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNC(=O)c3ccc[nH]3)(CC1)CC2	292909534	CGRUGTUTGSFOPQ-UHFFFAOYSA-N	319.361	1.289	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)Cn2cnc3ccccc32)cn1	814729128	BOJAYQULBBBEHG-UHFFFAOYSA-N	323.360	1.043	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC(C)(C)[C@@H]1[C@H]1CCCO1	810030140	SBDCONKIHABEPY-YPMHNXCESA-N	311.426	1.069	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cc(C#N)cc(Cl)n2)[nH]1	815905829	CSSXCOMKCXYOKA-UHFFFAOYSA-N	319.708	1.478	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCO2)c1cc(CO)on1	812222762	RIIRQHVAJLGLHL-UHFFFAOYSA-N	303.274	1.050	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ncc(C(C)(C)C)s1	814865634	UYZVGPNTWWUAKN-SNVBAGLBSA-N	313.423	1.942	50	20	DDGD	
CC(C)n1cncc1C=NNC(=O)c1ccc2c(c1)OCO2	819801893	UTXQZEVXISCHMS-UHFFFAOYSA-N	300.318	1.957	50	20	DDGD	
Cc1c(C(=O)NN(C)C2CC2)nnn1-c1cccc([N+](=O)[O-])c1	819645510	LENCLFIHTHDIBO-UHFFFAOYSA-N	316.321	1.223	50	20	DDGD	
Cc1csc(CC(=O)NN=C2CC[C@H](CC(=O)O)[C@@H]2C)n1	814779834	SHANUIRTHRKRJZ-VHSXEESVSA-N	309.391	1.987	50	20	DDGD	
C=C[C@H](O)C(=O)NNC(=O)c1ccc(OCCCC)c(OC)c1	816827784	DYNWYFNULLSPGQ-LBPRGKRZSA-N	322.361	1.182	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)Nc1cccc(NC(=O)NN(C)C)c1	816406125	GFLRPTIOEKTQMU-ZWNOBZJWSA-N	306.366	1.648	50	20	DDGD	
CCc1ccc(N2C[C@@H](C(=O)NN(C)C3CC3)CC2=O)cc1	819641470	XATMRJUGVLIYSF-ZDUSSCGKSA-N	301.390	1.727	50	20	DDGD	
COc1cc(Cl)ccc1C(C)=NNC(=O)C(=O)N1CCCC1	817325526	BDRBOMLVMPCNEH-UHFFFAOYSA-N	323.780	1.811	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)c2ccncc2)cc1	812732104	RZJQHILNBKCORB-UHFFFAOYSA-N	320.374	1.089	50	20	DDGD	
CON(C)C(=O)CNC(=O)NNc1ccc(C(C)(C)C)cc1	817798445	BVCHZNOIZZGGDA-UHFFFAOYSA-N	308.382	1.630	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)CCCC#N)n[nH]2)cc1	812475000	NJUKCLMZMKTQCF-UHFFFAOYSA-N	311.345	1.840	50	20	DDGD	
Cc1ccc(Cl)c(O[C@@H](C)C(=O)NN(C)[C@@H](C)CO)c1	823971217	QSFJASFNBMMRRT-QWRGUYRKSA-N	300.786	1.760	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(C)(C(=O)NNc2cccnn2)C1	496715019	BYXSVXHAQSGUFE-UHFFFAOYSA-N	307.354	1.177	50	20	DDGD	
CCCNC(=O)NNC(=O)CN(C(=O)OC(C)(C)C)C(C)C	823952189	WVNRNYUMRQIYNQ-UHFFFAOYSA-N	316.402	1.372	50	20	DDGD	
CC(C)n1cc([C@H](C)NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cn1	825989349	BONJNCLMJHZHEI-GMXVVIOVSA-N	323.397	1.280	50	20	DDGD	
COC(=O)CCCN1CCC(=NNC(=O)NC2CCCC2)CC1	727061416	ILPZGNKBVYTGPK-UHFFFAOYSA-N	324.425	1.633	50	20	DDGD	
CN(CCNC(=O)OC(C)(C)C)C(=O)NNC(=O)C(C)(C)C	496448935	FLHKKRSDYFSIPQ-UHFFFAOYSA-N	316.402	1.230	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H](C)c1cnccn1)c1ccccc1	906643073	ROAONQQEQDSDPJ-GXTWGEPZSA-N	312.373	1.921	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H](CC(F)F)c1ccccc1	585048189	KNQIELBBFJHLLI-HNNXBMFYSA-N	305.133	1.853	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@@](C)(O)C2CC2)cc(C#N)n1C	490664206	PCUMOEFMPKUCJB-JIOITTSWSA-N	312.373	1.389	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@H]3CCCN3C=O)nc12	828359408	ZWSZGVSTCSJCAA-SNVBAGLBSA-N	304.375	1.669	50	20	DDGD	
O=C(/C=C/[C@@H]1CCOC1)NNC(=O)C12CC3CC(CC(C3)C1)C2	493751658	HMJZYXRDNVARFQ-WJMOCDBQSA-N	318.417	1.943	50	20	DDGD	
O=C(NNc1cccc(Cl)c1)c1c[nH]c(-c2nn[nH]n2)c1	826449454	UGMIIQXEMJCURD-UHFFFAOYSA-N	303.713	1.605	50	20	DDGD	
C/C=C\C(=O)NNC(=O)c1ccc(OC)c(Br)c1	732037308	OMPFGBCFAXYIPX-ARJAWSKDSA-N	313.151	1.795	50	20	DDGD	
O=[N+]([O-])c1ccc(N2CC[C@H](B(O)O)C2)c(C(F)(F)F)c1	585073667	MSMGUQDANLYGPU-ZETCQYMHSA-N	304.033	1.667	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(N2C(=O)CCC2=O)c(C)c1	733034620	MOFLMNGOIJCIMQ-UHFFFAOYSA-N	320.305	1.041	50	20	DDGD	
C[C@@H]1CN(C2CC2)CC1=NNC(=O)CNC(=O)OC(C)(C)C	494725341	HPRVTWHTUZJLJO-SNVBAGLBSA-N	310.398	1.097	50	20	DDGD	
COCC1(C)CN(C(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)C1	491107338	UYOZWXUTEUEORT-RZNTYIFUSA-N	312.373	1.607	50	20	DDGD	
O=C(N[C@H]1CCCc2sccc21)c1cccc(B(O)O)c1	584974572	IOOYLJVWJZWLDM-ZDUSSCGKSA-N	301.176	1.235	50	20	DDGD	
CCN(Cc1ccc(C(=O)N2CC[C@H](B(O)O)C2)cc1)C1CC1	585069885	RRMKMMJONKQBFW-HNNXBMFYSA-N	316.210	1.360	50	20	DDGD	
Cc1[nH]nc(C(=O)NNC(=O)C2CCC2)c1Br	732141659	MDCHYWSYDHZWBF-UHFFFAOYSA-N	301.144	1.042	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCCO1)c1ccc(O)c([N+](=O)[O-])c1	834984762	DBDNIZLSPKTBOR-CYBMUJFWSA-N	307.306	1.710	50	20	DDGD	
Cc1cc(NNC(=O)Nc2ccc(-c3nn[nH]n3)cc2)ncn1	737280491	LEAWAMUAYVBDSJ-UHFFFAOYSA-N	311.309	1.114	50	20	DDGD	
CO[C@@H]1COC[C@@H]1NC(=O)NNc1cc(F)c(F)c(F)c1	838779033	UDTHNVZUMDRXBV-VHSXEESVSA-N	305.256	1.144	50	20	DDGD	
CN1CC[C@]2(CCN(C(=O)[C@@]3(C)C[C@@H]3Br)C2)C1	908364453	ZVEROMFOCFTHAT-DRZSPHRISA-N	301.228	1.714	50	20	DDGD	
C[C@@H](C(=O)O)n1cccc1C=NNC(=O)Cc1ccccc1F	833406494	HBVMUCMMNNHLQM-NSHDSACASA-N	317.320	1.966	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)c1ccc(C(=O)O)c(F)c1	833010150	HUAVAZBUTMSIQD-UHFFFAOYSA-N	323.305	1.364	50	20	DDGD	
C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1CC[C@H](B(O)O)C1	585077683	TXKIMKWIOMYDLP-RISCZKNCSA-N	303.167	1.018	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C1CCC1	839499079	XKDNNXNPARURKA-UHFFFAOYSA-N	320.349	1.230	50	20	DDGD	
Cc1cc([C@H](C)NC(=O)c2cc(B(O)O)ccc2F)c(C)o1	584940450	SWYCTVXULGIWPT-VIFPVBQESA-N	305.114	1.206	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)c2ccccc21)[C@H]1CCCCO1	834987771	BIVQVUQEDQIHTK-CYBMUJFWSA-N	322.386	1.253	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1cc2n(n1)CCCC2	831749550	VQDNWPFXAMWQDI-UHFFFAOYSA-N	313.361	1.994	50	20	DDGD	
O=C(N[C@H](c1cccs1)C1CC1)c1cc(B(O)O)ccc1F	584929287	QIIMFJHYVRVOBB-AWEZNQCLSA-N	319.166	1.448	50	20	DDGD	
N#Cc1cccc(C=NNC(=O)[C@@H]2COc3ccccc3O2)c1	839386032	DZSTXVAEJZMTNU-INIZCTEOSA-N	307.309	1.848	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)c2c[nH]c3ccccc23)n[nH]1	738479429	HLBPCQGEDVUGPD-UHFFFAOYSA-N	312.333	1.344	50	20	DDGD	
CO[C@@](C)(C(=O)NNc1ccnc(F)c1)C(=O)OC(C)(C)C	831917726	KGJQCXXJIKQKDI-AWEZNQCLSA-N	313.329	1.411	50	20	DDGD	
CC(=NNC(=O)c1ccc(Cl)nc1)c1c(C)nc(O)nc1O	915975130	DTWHEHUXMYGTRH-UHFFFAOYSA-N	321.724	1.399	50	20	DDGD	
CCC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1cccs1	916361527	BZZDVJHKROADTK-LBPRGKRZSA-N	309.435	1.947	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccc1	836247988	JFALBSCWWSHYCT-UONOGXRCSA-N	321.377	1.274	50	20	DDGD	
C[C@H]1CC(=NNC(=O)COc2ccc(C#N)cc2)C[C@@H](C)O1	834921928	KMQXCFCFMHNCCO-TXEJJXNPSA-N	301.346	1.997	50	20	DDGD	
N#CSCCCNS(=O)(=O)c1ccc2c(c1)C(=O)OC2	916971933	JYMFETVBIGSFHK-UHFFFAOYSA-N	312.372	1.240	50	20	DDGD	
C[C@H]1Cc2ccccc2CN1CC(=O)NNC(=O)C(C)(C)C	744404510	ACNDPFRSUUSCNU-LBPRGKRZSA-N	303.406	1.627	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CCC[C@H](N)C2)c1F	841980873	IXBRWVKYAYEOHF-UWVGGRQHSA-N	324.356	1.508	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1cc(Cl)cc(Cl)c1	841004857	YVVMOCPPKUDNHT-UHFFFAOYSA-N	305.165	1.885	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H](F)CC1CCCCC1	843659226	XAHHKLTYXZIGFY-WCFLWFBJSA-N	300.374	1.867	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1cccc2ccoc12	842590783	SIZWIEWWKKUPDB-MWLCHTKSSA-N	324.358	1.167	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNc1cc(O)nc2ncccc12	913988482	XWIRSUNPBBDRES-PWSUYJOCSA-N	300.318	1.370	50	20	DDGD	
CC(C)CO[C@@H](C)C(=O)NNC(=O)c1c[nH]c2ccccc12	915263482	RBZXJVOROOQVMI-NSHDSACASA-N	303.362	1.990	50	20	DDGD	
O=C(CCn1cccn1)NNC(=O)c1cccc2ccccc12	741696299	RXQJTWLXTCDIHJ-UHFFFAOYSA-N	308.341	1.888	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)CC2COC2)cc1	913824616	WKAZMNZUWJRDMM-UHFFFAOYSA-N	308.407	1.107	50	20	DDGD	
CO[C@H]1c2ccccc2C[C@H]1NC(=O)NNC(=O)c1ccc[nH]1	840406309	FSRPRRCQNNFINV-KGLIPLIRSA-N	314.345	1.271	50	20	DDGD	
Cn1c(CC(=O)N2CC=C(C#N)CC2)nnc1-c1ccccc1	847631423	DUTGJFJMMDKCPK-UHFFFAOYSA-N	307.357	1.707	50	20	DDGD	
CC[C@H](OC1CCCC1)C(=O)NNc1ccnc(N(C)C)n1	740107966	SDSGSBWGXJTHHH-LBPRGKRZSA-N	307.398	1.724	50	20	DDGD	
O=C(NNC(=O)[C@@H]1SCCc2ccccc21)c1ccccn1	742463658	UHNVIIONWMGYCA-CQSZACIVSA-N	313.382	1.873	50	20	DDGD	
Cc1cscc1C(=O)NNC(=O)c1ccc2c(c1)OCO2	749331479	KJFHGKWQCLAZPI-UHFFFAOYSA-N	304.327	1.860	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@@H]1c1ccccc1)c1ncccn1	841593703	KAZALULGKWCORI-CYBMUJFWSA-N	311.345	1.668	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)NNc2cccc([N+](=O)[O-])c2C)C1	748673293	GDGPVZJNPVFQRB-HNNXBMFYSA-N	320.349	1.605	50	20	DDGD	
CC[C@H](Oc1ccccc1C)C(=O)NNC(=O)c1c[nH]nc1C	749381320	GCXFUIJQTUMMEZ-ZDUSSCGKSA-N	316.361	1.645	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCN1CCCc2ccccc21	749213571	IXTZNZQUBRDXEZ-UHFFFAOYSA-N	318.421	1.816	50	20	DDGD	
COCCOC[C@@H](C)NC(=O)NNC(=O)Nc1ccccc1C	745864577	SQHSJIAAJUYTRB-GFCCVEGCSA-N	324.381	1.382	50	20	DDGD	
CC(=NNC(=O)c1ccccn1)c1cccc(OCC(=O)O)c1	916246693	IFCANOPYEZMWAY-UHFFFAOYSA-N	313.313	1.699	50	20	DDGD	
COc1cccc2cc(C=NNC(=O)C(=O)NC(C)C)oc12	744812087	FEIBQHJMKSUELA-UHFFFAOYSA-N	303.318	1.416	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2nnc(C)s2)cc1	919673829	MSFPOAWUSUGODO-UHFFFAOYSA-N	321.362	1.387	50	20	DDGD	
CC(C)Oc1cncc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	843663815	YNPXFFQQUXURQN-GWCFXTLKSA-N	307.350	1.055	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)Cc2c(C)nc(C)nc2O)n1	748338233	CFZADVJHEJNJFQ-UHFFFAOYSA-N	322.756	1.237	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@@H]2CCc3cncn3C2)c1	844137627	OQILDTNPBHHTPJ-SNVBAGLBSA-N	316.752	1.509	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=S)NC2(C)CCC2)c1	840704024	PMXHVFIJVFAZBM-UHFFFAOYSA-N	306.435	1.804	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)nn1C	917519158	JXPJJPVHTNHHNI-SNVBAGLBSA-N	320.324	1.096	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cc(O)c(O)c(OC)c1	916354565	FQTRIDJDKPZZOP-UHFFFAOYSA-N	309.366	1.288	50	20	DDGD	
NC(=O)COc1ccc(NC(=O)NNc2ccccn2)cc1	916375445	CLQLTKNCWCHNEE-UHFFFAOYSA-N	301.306	1.094	50	20	DDGD	
COCCOc1ccc(C(C)=NNC(=O)[C@@H]2CCO[C@H]2C)cc1	842558155	ROSKPYPTLRXUFC-XJKSGUPXSA-N	320.389	1.977	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1c[nH]c2ccc(OC)cc12	748254183	WNSMSUJKPJSJMH-LLVKDONJSA-N	319.361	1.678	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)C1(C(=O)NC2CC2)CC1	746701302	LMORLDIICHGDJU-UHFFFAOYSA-N	313.279	1.606	50	20	DDGD	
CCOc1ccc(CC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	843649520	WIESEKVZOHJUBC-SMDDNHRTSA-N	306.362	1.200	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)C1)c1cccc2cccnc12	747355824	CSBLYASMBOTLML-UHFFFAOYSA-N	303.343	1.139	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c2ccccc21	843971487	BMBBWJCEOPSDIA-NWDGAFQWSA-N	315.373	1.847	50	20	DDGD	
CN(C)c1ccnc(CNC(=O)/C(C#N)=C\c2cnn(C)c2)c1	927697372	MHMZOTFUHYWNBN-MLPAPPSSSA-N	310.361	1.104	50	20	DDGD	
O=C(NNc1ccc(-n2cccn2)nn1)NC1CC2(CCC2)C1	845722687	JHUSLKPKSWKVKD-UHFFFAOYSA-N	313.365	1.621	50	20	DDGD	
CCOc1ccc(CCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	843650058	ZDUMNKRSMUTFNM-WFASDCNBSA-N	320.389	1.590	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cc3c(s2)CCC3)n1	752398504	HSJQEFXJUXFUKW-UHFFFAOYSA-N	317.370	1.715	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCc2c(OC)cccc21	759667866	VVIJLJKJOKQOBQ-NSHDSACASA-N	306.362	1.513	50	20	DDGD	
C[C@H](NC(=O)NC[C@]1(C)C[C@@H]1Br)[C@@H]1CCOC1	856836212	HOWKBQPHNMRJEL-WYFGTUCQSA-N	305.216	1.884	50	20	DDGD	
C[C@H]1Cc2cc(C(=O)NNc3ccnc(N(C)C)n3)ccc2O1	857133068	SVDAYWRAYQHTAO-JTQLQIEISA-N	313.361	1.623	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1ccc2nc(O)[nH]c2c1	757419084	XFJYICBAHLCFFZ-UHFFFAOYSA-N	303.709	1.496	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cc(O)ccc2[N+](=O)[O-])n[nH]1	751130055	BKMXVICYFGWUIS-UHFFFAOYSA-N	303.278	1.025	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(Br)c(F)c1	756769429	LQZFYFWLKJOBEZ-UHFFFAOYSA-N	320.118	1.387	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NC[C@]1(C)CCCO1)c1ccccc1	755157839	NXKAXENWKYXRQZ-KRWDZBQOSA-N	319.405	1.864	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)CCc2ccccc2)C1(C)C	753428063	BPUPOLKHGWLEMH-KBPBESRZSA-N	319.405	1.763	50	20	DDGD	
CCCn1nccc1C=NNC(=O)COc1ccc(F)cc1	853273779	CJFGQINLUDIPAD-UHFFFAOYSA-N	304.325	1.961	50	20	DDGD	
Cc1ccncc1C=NNC(=O)CCCNC(=O)C(C)(C)C	853408631	WIVVGTDCOPVKJI-UHFFFAOYSA-N	304.394	1.783	50	20	DDGD	
CCc1nnc(-c2ccc(NC(=O)NNC(=O)COC)cc2)o1	756821773	QTZSOHVOQNKDNA-UHFFFAOYSA-N	319.321	1.098	50	20	DDGD	
C[C@]1(CNC(=O)N2C[C@@H]3CNC[C@@H]3C2)C[C@H]1Br	857104731	AFMADURCQYSTJK-DTHBNOIPSA-N	302.216	1.021	50	20	DDGD	
NC(=O)c1cccc(C=NNC(=O)Cn2ccc3ccccc32)c1	755695866	FNHOJRZBNMEULD-UHFFFAOYSA-N	320.352	1.891	50	20	DDGD	
Cn1ncc2c1CCCC2=NNC(=O)c1cccc(Cl)n1	853411595	OGGBOIDVXPDMNQ-UHFFFAOYSA-N	303.753	1.939	50	20	DDGD	
CC(C)c1ncc(C=NNC(=O)CNC(=O)c2ccco2)s1	758375296	PUGHIZLGPVJELT-UHFFFAOYSA-N	320.374	1.740	50	20	DDGD	
NC(=O)NN=C1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1	752713007	IKOLYTJPVQLBFX-NSHDSACASA-N	314.345	1.640	50	20	DDGD	
C=CCCn1cc(C=NNC(=O)Cc2csc(C)n2)nn1	853272274	NDSODHGHMKHTBQ-UHFFFAOYSA-N	304.379	1.312	50	20	DDGD	
CC(C)NC(=O)NN=C1CCN(c2ccc([N+](=O)[O-])nc2)CC1	853297082	SLUQKKMENHUKAK-UHFFFAOYSA-N	320.353	1.654	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(C#N)ccc1OC(C)C	756192573	MTFOWRNLOZLDJB-UHFFFAOYSA-N	320.349	1.535	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NN=Cc1cc[nH]c1	853372520	ZTXKUUMPUGDLDX-CHWSQXEVSA-N	301.350	1.366	50	20	DDGD	
O=C(NC[C@H]1CCCN1CC(F)F)NNc1ccc(F)cn1	858747674	SESAGZXMHXFXHM-SNVBAGLBSA-N	317.315	1.576	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2	855829149	HLGGFOCKOKBVGG-RWMBFGLXSA-N	323.437	1.513	50	20	DDGD	
C[C@]1(CNC(=O)NOCc2cccnc2)C[C@@H]1Br	856843958	SGOVKLGUOVMTEM-CMPLNLGQSA-N	314.183	1.986	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1ccc2c(c1)oc(=O)n2C	756627458	RGFGWHATUFIOSX-YRNVUSSQSA-N	302.286	1.228	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1cccc(-n2cccn2)c1	755931393	BBTZENNVYHZXBF-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)cc1F	854125974	BLSIJVKWSYUTAE-TZMCWYRMSA-N	320.368	1.914	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2cnc([C@H]3CCCO3)s2)cn1	755733657	RBKSCUOQFLJYGV-LLVKDONJSA-N	305.363	1.492	50	20	DDGD	
CC(C)C1(C(=O)NNC(=O)CSc2ccccc2O)COC1	935151114	DCWRPEPZVITGSY-UHFFFAOYSA-N	324.402	1.304	50	20	DDGD	
O=C(CC[C@H]1CCOC1)NNC(=O)Cc1ccc(Cl)cc1	751299317	KADDAZOVYSHPJR-LBPRGKRZSA-N	310.781	1.847	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H](C)C[C@@H]2CCOC2)c1	858299446	WENJRYNINJPZHI-QWRGUYRKSA-N	311.407	1.816	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)Cc2cscn2)c(C)c1	856791662	AQCFDRVZPWIOLQ-UHFFFAOYSA-N	318.402	1.562	50	20	DDGD	
CCOCc1cccc(NC(=O)NNC(=O)c2c[nH]nc2C)c1	756309054	FMGAIEDIECACKK-UHFFFAOYSA-N	317.349	1.721	50	20	DDGD	
CCC(C#N)(CC)C(=O)NNc1ccc(S(C)(=O)=O)cc1	860314799	DNEDTRBBXIGSHX-UHFFFAOYSA-N	309.391	1.863	50	20	DDGD	
C[C@@H](OC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)C(=O)N(C)C	769981849	LAQPWBFDJCHQPA-BSTOTGJRSA-N	318.211	1.960	50	20	DDGD	
CCCCCNC(=O)/C(C#N)=C/c1cn(C[C@H]2CCCO2)nn1	865216047	CJGUZYYNPNGGNJ-BMQCOBNYSA-N	317.393	1.670	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNc1ncccc1[N+](=O)[O-]	760373046	NEEJJMDDXQXTLJ-UHFFFAOYSA-N	302.294	1.408	50	20	DDGD	
COc1cccc(NC(=S)NNC(=O)c2cccc(F)n2)c1	763544247	PHUGDOXKSCULDA-UHFFFAOYSA-N	320.349	1.861	50	20	DDGD	
CCC(=O)NN[C@@H](C(N)=O)c1cccc(Br)c1	763377806	ZRLHOJDUQYVDAO-SNVBAGLBSA-N	300.156	1.006	50	20	DDGD	
O=C(COC(F)(F)F)NNC(=O)CSc1ccccc1O	935152459	UENSYNKQKRBZQG-UHFFFAOYSA-N	324.280	1.168	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C	866861550	QZVRIJDYJPZUEY-MXWKQRLJSA-N	309.859	1.984	50	20	DDGD	
CC1(C)COc2c(C(=O)NNC(=O)c3cn[nH]c3)cccc21	862470328	MVYLLTYCXILVNJ-UHFFFAOYSA-N	300.318	1.155	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NN=C2CCOC2)n[nH]1	764800612	QXICSQCPFVLXLP-UHFFFAOYSA-N	300.318	1.591	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)c1cnc2[nH]cnc2c1	764751448	ANGYWTBETNEVGK-UHFFFAOYSA-N	311.330	1.720	50	20	DDGD	
CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NN[C@@H](C)C(F)(F)F	862317097	DKZMZPBXNUOXNP-WDSKDSINSA-N	323.237	1.261	50	20	DDGD	
C[C@H](NNC(=O)c1cccc(Cn2cncn2)c1)C(F)(F)F	862321937	GGXXKBSZWLQXTE-VIFPVBQESA-N	313.283	1.512	50	20	DDGD	
Cc1ccc(C(C)(C)C(=O)NNC(=O)Cc2cc(C)[nH]n2)cc1	869012153	IGCWLESRUISMJE-UHFFFAOYSA-N	314.389	1.694	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C1CC=C(c2ccc(F)cc2)CC1	863186536	ARPLQGPEDGGNAP-UHFFFAOYSA-N	324.377	1.910	50	20	DDGD	
Cc1cc(C(=O)NN=c2cc[nH]c(C)c2)c2c(C)nn(C)c2n1	862509362	KIHVSGYXHXUPBP-UHFFFAOYSA-N	310.361	1.467	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(-c2cc[nH]n2)s1	762903255	KWQSATVIGXGVPQ-UHFFFAOYSA-N	316.346	1.694	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccnc1)c1cncc(C)c1	767386273	UCANJRURZRYXSS-UHFFFAOYSA-N	311.345	1.055	50	20	DDGD	
Cc1cc(C)n2nc(C(=O)NNc3nc4ccccc4[nH]3)nc2n1	768496410	RJWJMTLOYFKFCB-UHFFFAOYSA-N	322.332	1.374	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CC2OCCCO2)cc1C	873762987	KCEUTOWLYHIQHT-UHFFFAOYSA-N	323.418	1.774	50	20	DDGD	
O=C(NN=CC[C@@H]1CCCCC12OCCO2)C1CCOCC1	1119302951	KUWFSOWNBUWZBO-AWEZNQCLSA-N	310.394	1.838	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2cc(Cl)ccn2)ccn1	778451688	PPNQZQQRHSGMCW-UHFFFAOYSA-N	306.709	1.674	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)Nc1c(F)cc(F)cc1F	878830037	HMUPMKVDPFSHIG-UHFFFAOYSA-N	317.267	1.683	50	20	DDGD	
O=C(O)c1cc(C=NNC(=O)c2n[nH]c3c2CCCC3)c[nH]1	1117741851	FZQKWRIXWAUPTR-UHFFFAOYSA-N	301.306	1.079	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1	775159233	DINFQVLIQPEBHP-QWHCGFSZSA-N	316.405	1.791	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc(N2CCCCC2)o1	872403933	YTMDCPJPUMSHMT-UHFFFAOYSA-N	309.366	1.383	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(C(C)(C)C(=O)OC)cc1	878802047	ALMUUXKGMIYPAO-UHFFFAOYSA-N	323.349	1.872	50	20	DDGD	
CC[C@@H](C)NC(=O)c1ccc(NC(=O)NN(C)CCOC)cc1	878415410	TVVKWVSCCZKLLX-GFCCVEGCSA-N	322.409	1.830	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1ccc(-n2nccn2)cc1	775510219	WZLAZAOMPSKURQ-UHFFFAOYSA-N	314.284	1.345	50	20	DDGD	
NC[C@@H](C(=O)NNC(=O)c1ccccc1)C1CCCCCC1	1122038756	OYIWOBWJLSHJGK-OAHLLOKOSA-N	303.406	1.993	50	20	DDGD	
Cn1cc(NC(=O)NNC(=O)OC(C)(C)C)c(C(F)F)n1	1123362869	WRGRJPDKZQJPEH-UHFFFAOYSA-N	305.285	1.919	50	20	DDGD	
C[C@]1(CC(=O)NNC(=O)C2CCOCC2)CC1(Cl)Cl	883071089	ODQUOTWUDNYOHQ-NSHDSACASA-N	309.193	1.534	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)[C@@H]1COc2ccccc2O1	774783579	ZSZWBRJFLPFFKY-HNNXBMFYSA-N	322.324	1.913	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c2ccccc2n1	770850493	CTTJYKNFLPIPNU-VXGBXAGGSA-N	313.357	1.729	50	20	DDGD	
NC(=O)N1CCC[C@H](CNC(=O)C2CCC(Cl)CC2)C1	1123880389	OTZBFMRUIWAADW-VOMCLLRMSA-N	301.818	1.691	50	20	DDGD	
CC(C)[C@H](Cc1ccccc1)C(=O)NNC(=O)c1cccnn1	882058028	LZZLAVCVAGRUPV-AWEZNQCLSA-N	312.373	1.753	50	20	DDGD	
N#CC1=CCN(CC(=O)NCCCOc2ccccc2F)CC1	779590461	QAWMTEZQDHCOLL-UHFFFAOYSA-N	317.364	1.866	50	20	DDGD	
CC[C@@H]1C(=O)NCCCN1C(=O)[C@H](Br)C(C)(C)C	886506587	ARMFPGCBOSWDEO-ZJUUUORDSA-N	319.243	1.923	50	20	DDGD	
Cc1cccc(C)c1CCNC(=O)NNC(=O)C1CCOCC1	883521778	RHEGJSDESPODSX-UHFFFAOYSA-N	319.405	1.603	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccc(F)cc2)CC1)C1CCOCC1	883068692	FCZBIMXIZLDBRY-UHFFFAOYSA-N	320.364	1.722	50	20	DDGD	
CN(C)Cc1cc(NC(=O)NNC(=O)C2CCCC2)ccn1	880613649	WBIKMNSZSRAVTR-UHFFFAOYSA-N	305.382	1.486	50	20	DDGD	
COC(=O)c1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2OC)on1	781454931	YBGIJTDXZSNPNA-UHFFFAOYSA-N	322.229	1.597	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)[C@H]1C[C@@H]1c1cccc(F)c1	882660142	MQDIYRYBAGGBTR-MNOVXSKESA-N	302.327	1.262	50	20	DDGD	
Cc1ccc(CO[C@H](C)C(=O)NNC(=O)C2CCOCC2)cc1	883072469	NGRFTNUSRUCTRA-CYBMUJFWSA-N	320.389	1.474	50	20	DDGD	
Cn1nnc2c1C[C@H](C(=O)NNc1ccc(F)c(F)c1)CC2	885113985	PFNFWQQMBSKEKQ-MRVPVSSYSA-N	307.304	1.342	50	20	DDGD	
CO[C@@H](C)c1nc(CNS(=O)(=O)CCCCl)cs1	881980015	WWISVMNFXNESAE-QMMMGPOBSA-N	312.844	1.899	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2CC[C@@H](C)C2)cc1OC	780799982	NLOPOSPUOKGHJW-PWSUYJOCSA-N	321.377	1.836	50	20	DDGD	
O=C(Cc1c[nH]c2cc(F)ccc12)NNC(=O)C1CCOCC1	883062763	QMAZRSYXVBNKTO-UHFFFAOYSA-N	319.336	1.424	50	20	DDGD	
COC(=O)[C@H](NNC(=O)c1cccc(C#N)c1)c1ccsc1	788399553	FXGDMQNBQZKPDA-CYBMUJFWSA-N	315.354	1.768	50	20	DDGD	
Cc1cc(C=NNC(=O)CNC(=O)c2cccs2)sn1	785453205	DYGGUGHEOHTKKH-UHFFFAOYSA-N	308.388	1.393	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@H](O)C1CCCCC1	783594105	AMTXUQJUMFGXAL-MRXNPFEDSA-N	304.390	1.708	50	20	DDGD	
COCC[C@@H](Cc1ccco1)NC(=O)NNc1ccccn1	784466946	NAVNVQPWINCVPF-LBPRGKRZSA-N	304.350	1.949	50	20	DDGD	
CO[C@@]1(C(=O)NNc2cc(Cl)nc(C)n2)CCSC1	896672055	IRSJLJRCVOOGQC-NSHDSACASA-N	302.787	1.404	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(NC(C)=O)ccc1C	780470763	ZKFZLRBFRRGKRJ-UHFFFAOYSA-N	306.366	1.698	50	20	DDGD	
COc1ccc(CNC(=O)NNc2ncncc2Cl)cn1	780948518	KZZPLGFLXPGWEK-UHFFFAOYSA-N	308.729	1.360	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2cn(Cc3cccnc3)nn2)o1	783855709	PXUDVTDSCGPONT-UHFFFAOYSA-N	310.317	1.387	50	20	DDGD	
Cc1nc2c(cc1C(=O)NNc1ccnc(F)c1)c(C)nn2C	781366584	MQYHBCLUCAXFMY-UHFFFAOYSA-N	314.324	1.876	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N=S1(=O)CCOCC1	891365007	CDFBLZHRHRILHA-MRVPVSSYSA-N	312.229	1.821	50	20	DDGD	
Cc1ccn2c(=O)c(C(=O)NNc3ncccc3C)cnc2c1	791217255	OXETWFHWDSKEFV-UHFFFAOYSA-N	309.329	1.463	50	20	DDGD	
Cn1c(O)nc2cc(C(=O)NNc3nc4ccccn4n3)ccc21	791252218	FAMBZTVGSWXIPF-UHFFFAOYSA-N	323.316	1.079	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)C(=O)c1ccccc1	792018134	RCGCURXZNGZKTR-UHFFFAOYSA-N	322.324	1.067	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(F)ccc1-n1cccn1	793219503	JAISDBBLTSHFQZ-UHFFFAOYSA-N	305.313	1.365	50	20	DDGD	
CCc1nn(C)c(CC)c1CC(=O)NNc1ncncc1Cl	790950164	MAQMTUXLFOUOKL-UHFFFAOYSA-N	322.800	1.674	50	20	DDGD	
C[S@](=O)c1ccc(CC(=O)NNC(=O)CC(F)(F)F)cc1	798108285	OEHJVXJUEIQPLL-NRFANRHFSA-N	322.308	1.066	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)CC2CCOCC2)n1	793220852	SCKAWEHLKDUCDD-UHFFFAOYSA-N	306.366	1.103	50	20	DDGD	
CCC(=NNC(=O)N1CCN(C)CC1)c1c(C)nn(C)c1C	790175238	CVSHTKNZOGEVKD-UHFFFAOYSA-N	306.414	1.108	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2cn(C)cn2)o1	794502906	QUMLDUQIIREFHB-UHFFFAOYSA-N	303.366	1.619	50	20	DDGD	
CCc1occc1C(=O)OCC(=O)NNC(=O)c1ccccc1	797486460	WETVWARAQCBOME-UHFFFAOYSA-N	316.313	1.460	50	20	DDGD	
COc1ccc(CCC(=O)NN=C(C)c2ccc(O)nn2)cc1	790157128	JUSDIPMPQDDBHA-UHFFFAOYSA-N	314.345	1.664	50	20	DDGD	
C[C@H]1CCC[C@H]1CNC(=O)NNC(=O)c1ccc(C#N)cc1	798513996	ZRBWMGZTQACYIS-FZMZJTMJSA-N	300.362	1.938	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNc2cnccn2)cc1OC	797672613	VJUDUHCFAFPKPX-UHFFFAOYSA-N	317.305	1.420	50	20	DDGD	
C[C@@H](C(=O)NNC(=S)NC(C)(C)C)c1ccc2c(c1)OCO2	794212917	WINKODYLHPSWBP-SECBINFHSA-N	323.418	1.813	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1c(Cl)nc(Cl)n1C	794957828	HWAJFHWBKMNXIV-XQRVVYSFSA-N	309.178	1.483	50	20	DDGD	
CC(=NNC(=O)CCO)c1ccc(Br)cc1F	1319228194	ZMAKKBYVXLBEPD-UHFFFAOYSA-N	303.131	1.811	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)[C@@]1(F)CCOC1	1326072600	ZOVSIRYCGPQHAV-CYBMUJFWSA-N	315.732	1.299	50	20	DDGD	
C[C@H](CS(C)(=O)=O)N(C)C[C@H](CBr)C1CC1	701846743	WTPFLZFQHOKDTQ-KOLCDFICSA-N	312.273	1.772	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2CCN(C3CC3)CC2)cc1	1322140607	LILCWRKISPHELF-UHFFFAOYSA-N	317.389	1.331	50	20	DDGD	
CCC[C@H](C)NC(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1329505839	JMEPSLWAEADTMG-SBMIAAHKSA-N	305.216	1.581	50	20	DDGD	
COC(=O)C(=O)NN=C1CCCOc2cc3c(cc21)CCC3	1253172173	BRJDDHXQMMUGSP-UHFFFAOYSA-N	302.330	1.341	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1c(Cl)nc2ccccn12	1331289630	LXZITDHFQCTUOR-UHFFFAOYSA-N	322.752	1.175	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2cc3c(s2)CCC3)on1	1261236143	WQZOWXLRTHZDIM-UHFFFAOYSA-N	319.342	1.775	50	20	DDGD	
COC(=O)[C@H]1[C@H](O)CCCN1C(=O)C1CCC(Cl)CC1	1347220229	FSJLMDFBWWIUJC-KIDURHIOSA-N	303.786	1.309	50	20	DDGD	
CC(=O)NC1CCC(C(=O)NNc2nc3ccccc3[nH]2)CC1	1347143539	RKXQQYLBSRLQMV-UHFFFAOYSA-N	315.377	1.701	50	20	DDGD	
O=C(O)C(=O)NN=C1CCC[C@H]2CN(Cc3ccccc3)C[C@H]12	1601637711	IYDULCBDVSXNQF-KBPBESRZSA-N	315.373	1.475	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2CC[C@H]2C(=O)O)ccc1C	1604376308	SFLHVSBRKNCNCK-GHMZBOCLSA-N	306.318	1.336	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NNc1ccc(C(=O)O)c(F)c1	1604619956	HIXQPJMEKOYKQU-RKDXNWHRSA-N	308.309	1.972	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1ccnc(C2CC2)c1	1606858206	LMLLYVSKFQPJKJ-UHFFFAOYSA-N	322.332	1.291	50	20	DDGD	
Cc1c(C(=O)NCC(Cl)Cl)cccc1-c1nn[nH]n1	1605475900	UAFXRIXXJZBYKP-UHFFFAOYSA-N	300.149	1.709	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2cccc(C(=O)O)c2)n1	1600182817	LLOUWEUMPBXZDJ-UHFFFAOYSA-N	301.306	1.940	50	20	DDGD	
Nc1nc(C2CC2)ncc1C(=O)NNc1cccc(C(=O)O)c1	1601219341	CGBKBZHPMPHVEM-UHFFFAOYSA-N	313.317	1.391	50	20	DDGD	
O=C(O)c1ccccc1-c1ccc(CN2CC[C@H](B(O)O)C2)o1	1602462366	DRMIYJNMPPKQBU-NSHDSACASA-N	315.134	1.694	50	20	DDGD	
O=C(COc1ccc(O)cc1)NNc1ccc(C(=O)O)cn1	1610671028	CFIVFJBJWRPQDH-UHFFFAOYSA-N	303.274	1.008	50	20	DDGD	
CC1(C)[C@@H](N)C[C@H]1C(=O)NNC(=O)c1ccc(Cl)cc1O	1576372160	OYWBDHRTFPSLOO-ONGXEEELSA-N	311.769	1.180	50	20	DDGD	
COC(=O)c1cc(OC(=O)[C@@H]2CC[C@H]2C(=O)O)ccc1[N+](=O)[O-]	1574085365	UOBQPINMZATHKH-RKDXNWHRSA-N	323.257	1.398	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1N	1579642746	UDPDTHNGKGMDKI-ZNIXKSQXSA-N	304.350	1.720	50	20	DDGD	
C[C@@H](CN)NC(=O)NNc1cc(C#N)ccc1Br	1579395565	JNPHQJCYDVLEES-ZETCQYMHSA-N	312.171	1.294	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1ccc(-c2nn[nH]n2)n1C	1581245101	PCWYZFXNDOPRGR-UHFFFAOYSA-N	315.312	1.410	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc(F)cc1-c1nn[nH]n1	1589536206	GEOCPOSSLOLNEL-UHFFFAOYSA-N	321.316	1.205	50	20	DDGD	
CC(=NNC(=O)Cc1nc(C)cs1)c1cncc(C(=O)O)c1	1589012529	QGEUCWNBMNLHBR-UHFFFAOYSA-N	318.358	1.628	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)c1cc2ccccc2o1)C(=O)O	1589538296	HEAMJFPAMZPLED-SECBINFHSA-N	319.317	1.488	50	20	DDGD	
N#Cc1ccc(NNC(=O)C2(C(F)(F)F)CCNCC2)cc1	1580070163	RAOMJGABSFHHTF-UHFFFAOYSA-N	312.295	1.933	50	20	DDGD	
Cc1c[nH]cc1C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843363573	NCGOCPNKOKOTCY-NSHDSACASA-N	313.760	1.675	50	20	DDGD	
CCC(C)(C)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2	1845986437	QKZKHFHVKAOCGE-LLVKDONJSA-N	316.829	1.226	50	20	DDGD	
COCCCOCCC(=O)NNc1cccc(C(=O)O)c1C	1599226267	KVVPEPBFBFULLH-UHFFFAOYSA-N	310.350	1.580	50	20	DDGD	
COc1ccc(CC(=O)NNc2ccc(C)c(C(=O)O)c2)nc1	1599548895	PXASARWFWKNOLY-UHFFFAOYSA-N	315.329	1.783	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(C(=O)O)c(C)c1	1599161535	MWJGPNVFKFCQCV-DELQEKLWSA-N	302.330	1.751	50	20	DDGD	
C[C@H]1CN(C(=O)[C@]2(C)C[C@H]2Br)CC[C@H]1C(=O)O	1599915038	NNLHSSWNMIWQGH-FNOROQBZSA-N	304.184	1.729	50	20	DDGD	
CO[C@H]1CCC[C@@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1	1591362888	TYJIJYCCAGAVGP-RYUDHWBXSA-N	302.338	1.125	50	20	DDGD	
COCCN(CC(C)C)NC(=O)c1ccc(C(=O)O)c(F)c1	1599235334	UEVTUPXHRMGIBN-UHFFFAOYSA-N	312.341	1.773	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2cc(C)c(C(=O)O)[nH]2)c(O)c1	1776036485	QIYWRDYIOCJGQS-UHFFFAOYSA-N	301.302	1.799	50	20	DDGD	
COc1nccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)n1	1776129087	KKCLWAZHYHOHSO-DHZHZOJOSA-N	324.296	1.729	50	20	DDGD	
CCO/C=C/C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl	1796810570	ZWJQPXWVOLQLOD-CGKMUUMWSA-N	318.776	1.709	50	20	DDGD	
CN(C)C(=O)[C@@H](NNC(=O)c1ccccc1F)c1ccccc1	15508025	VZJKJXAIGWRGML-HNNXBMFYSA-N	315.348	1.890	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)OC2CCCCCC2)[nH]n1	153002425	BXFDUPNAEDWAIJ-NSHDSACASA-N	308.382	1.607	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccc(Cl)c(F)c1	154576350	YXHWHCVEYDIGHO-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
O=S(=O)(c1ccc(CCl)cc1)N1C[C@H]2CC[C@H]1[C@@H](O)C2	919956459	PCIKWZAWFAWOQS-UBHSHLNASA-N	315.822	1.959	50	20	DDGD	
CCc1nc(CN(C)S(=O)(=O)CBr)cs1	328220070	LGIKFBWAIPRASF-UHFFFAOYSA-N	313.242	1.820	50	20	DDGD	
O=C(NCCn1c(=O)oc2ccccc21)NNc1ccccn1	106565084	RIIWBQDIIGJANE-UHFFFAOYSA-N	313.317	1.316	50	20	DDGD	
CC1=CC(=O)[C@@H](C(=O)/C=C/c2cnn(CCCl)c2)C(=O)O1	103249840	XBDOJAIIUWYVCZ-YWVDXFKGSA-N	308.721	1.350	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1	23154744	OXDOZEVOXFTWPD-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
CCCCCCN(C)CC(=O)NNC(=O)c1cccc(C#N)c1	111607899	CMUBANICWDMEJR-UHFFFAOYSA-N	316.405	1.831	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Cc1ccc(Cl)cc1	119488117	YIKGXUGWTIKGCR-UHFFFAOYSA-N	303.749	1.668	50	20	DDGD	
COc1ncccc1C(=O)NNC(=O)CNc1ccc(C)cc1	102890494	JIPODAYHYOWRDG-UHFFFAOYSA-N	314.345	1.272	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCc1nccs1	51757064	GKMGEPKTDBJNSW-UHFFFAOYSA-N	304.375	1.638	50	20	DDGD	
O=C(NCCCOc1ccc(F)cc1)NNc1ncccn1	57633223	GNONLWYWGJEKSA-UHFFFAOYSA-N	305.313	1.711	50	20	DDGD	
CCCNC(=S)NNC(=O)c1cc(-c2ccccc2)on1	53367182	KTYNCXIVHQEJRD-UHFFFAOYSA-N	304.375	1.861	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2sccc2-n2cccc2)cn1	117821045	HJBUUASWFXTUIX-UHFFFAOYSA-N	315.358	1.347	50	20	DDGD	
O=C(NNC(=O)c1ccn(-c2ccccc2)n1)NC1CCCC1	65919603	JEFJSHIRVXLMJV-UHFFFAOYSA-N	313.361	1.759	50	20	DDGD	
COC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)c1ccccc1C	67915092	OVXUXWZHXJHZKQ-ZDUSSCGKSA-N	321.377	1.527	50	20	DDGD	
C[C@@H]1CC[C@@H](CCC(=O)NNC(=O)Cc2ccc(F)cc2)O1	175052754	MCXBIRMMPYOHON-RISCZKNCSA-N	308.353	1.863	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)ncn1	122834449	GCDHYIMYKAMMTL-JTQLQIEISA-N	318.308	1.153	50	20	DDGD	
C[C@@H](CCc1cccn1C)NC(=O)NNC(=O)c1ccc[nH]1	176031166	GSTVUCTZETTXMJ-NSHDSACASA-N	303.366	1.319	50	20	DDGD	
CCN(C[C@@H]1CCCO1)C(=O)NNC(=O)c1ccc(C)s1	126370532	SSPUMUSPNCHVNT-NSHDSACASA-N	311.407	1.912	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccn2C)cc1[N+](=O)[O-]	61527853	WSHLOVNRRVGCFY-UHFFFAOYSA-N	302.290	1.317	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	184980367	HMNJMQQFNORRQF-LLVKDONJSA-N	306.337	1.790	50	20	DDGD	
CC(C)(C)S(=O)(=O)CC(=O)NNc1cc(Cl)ccn1	182953294	IZUJWYIMJKFQLT-UHFFFAOYSA-N	305.787	1.391	50	20	DDGD	
COCc1ccc(CNC(=O)NNC(=O)c2ccc[nH]2)cc1	125921731	KANRQLOUWCHGIZ-UHFFFAOYSA-N	302.334	1.305	50	20	DDGD	
O=C(NC[C@@H]1CCCO1)NNC(=O)c1c[nH]c2ccccc12	72485841	BDOQRLRCQFNRGQ-JTQLQIEISA-N	302.334	1.291	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NNC(=O)c1cnn(C)c1	185676009	AJHJMWFWIRBOGJ-DGCLKSJQSA-N	308.382	1.167	50	20	DDGD	
CC(C)CS(=O)(=O)CCC(=O)NNc1cc(Cl)ccn1	182971585	MBBYETUQICIQTJ-UHFFFAOYSA-N	319.814	1.639	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H](C)Cc2cccs2)n1	79414180	LDBHWVQUDGDQGZ-VIFPVBQESA-N	307.379	1.804	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@@H]2Cc3ccccc3O2)n1	182778307	LKYJIEHJORWYBH-VIFPVBQESA-N	305.725	1.159	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1ccc(F)c(F)c1F	182739414	CSWTWEVEIXQXQD-UHFFFAOYSA-N	310.235	1.965	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1nnc(C(F)F)s1	184607943	BNYKYBGPWFKWIP-UHFFFAOYSA-N	316.293	1.281	50	20	DDGD	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NNc1ccccc1	72702615	YWQWEHFXWYHTTD-UHFFFAOYSA-N	310.357	1.939	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1	46705057	BAORGCKEFZXIEZ-NSHDSACASA-N	301.346	1.957	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)n1	130615353	MANBIFSLLPOWAL-CHWSQXEVSA-N	305.382	1.677	50	20	DDGD	
CC(C)n1cnc(S(=O)(=O)NNC(=O)CC(C)(C)C)c1	131961534	NYQJAMWXDZKIAN-UHFFFAOYSA-N	302.400	1.210	50	20	DDGD	
Cc1cc(NNC(=O)Cc2cccc(OCC#N)c2)nc(C)n1	89830641	VOBLRCSMVGXSRU-UHFFFAOYSA-N	311.345	1.682	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc2ccn(C)c12	190590296	GVNQHSKHYQJTJB-JTQLQIEISA-N	316.361	1.310	50	20	DDGD	
COC(=O)[C@@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C(C)C	194062920	XZRDKODNGHCMLD-UNJUUPHPSA-N	302.330	1.613	50	20	DDGD	
Cc1nccc(C(=O)NNC(=O)c2ccc(Cl)cc2F)n1	81028798	OWISSIDPPBMWFY-UHFFFAOYSA-N	308.700	1.652	50	20	DDGD	
COc1cccc(CCNC(=O)NNC(=O)OC(C)(C)C)c1	45759714	VAPOXFNQKYCUAJ-UHFFFAOYSA-N	309.366	1.977	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)NC[C@@H]2CCCO2)c1	42866946	CVTDIMGWJKFCNM-ZDUSSCGKSA-N	321.377	1.192	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(N(C)c2ccccc2)nc1	194917208	FPEDPCFELSKXRN-UHFFFAOYSA-N	313.361	1.766	50	20	DDGD	
COc1cc(C)sc1C(=O)NNC(=O)Cc1ccncc1	81026195	PRMWIPONTLUGFP-UHFFFAOYSA-N	305.359	1.464	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H]1CCCN1Cc1ccccc1	98093589	XNYDKPOFCFRECQ-AWEZNQCLSA-N	303.406	1.845	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NN=Cc1ccc(O)cc1O	254533179	OBGWAWWRDZTMPB-UHFFFAOYSA-N	310.313	1.598	50	20	DDGD	
CN(C)C1(CNC(=O)NNc2cccnn2)CCCCCC1	265478245	OGIROIKJEKITQF-UHFFFAOYSA-N	306.414	1.757	50	20	DDGD	
N#CC1(C(=O)NNC(=O)c2cccc3ccccc23)CCOCC1	265993631	NBUNKOMZESNBRX-UHFFFAOYSA-N	323.352	1.921	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1	267613529	LKSXVHHUTXTTHA-CYBMUJFWSA-N	319.361	1.347	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)NC2CCCC2)c1	266173274	WVZSZAVEGJVLNS-UHFFFAOYSA-N	306.322	1.790	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CSc1nc(C)n[nH]1	266784956	BHZOMVHESQUVHF-UHFFFAOYSA-N	324.318	1.728	50	20	DDGD	
CN(C[C@@H]1CCOC1)C(=O)NNC(=O)C(C)(C)c1ccccc1	267630349	YAXLZOAXHGWIEV-ZDUSSCGKSA-N	319.405	1.673	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1	274029416	CGHUMBZWKDVYLH-MRVPVSSYSA-N	322.321	1.035	50	20	DDGD	
CC1(C)CN(S(=O)(=O)CBr)[C@H]1[C@H]1CCCO1	367729493	UPSDJEHFEHUVPC-BDAKNGLRSA-N	312.229	1.558	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cccc(C)c1O	276570796	NAEPILIPWIOYBV-UHFFFAOYSA-N	310.350	1.251	50	20	DDGD	
Cc1ncc(C(=O)NNc2nc(-c3ccncc3)no2)s1	364465985	FXLCLVDRKQJFIM-UHFFFAOYSA-N	302.319	1.653	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1ccccc1OC(F)F	272655818	GCAXRCWLIIQBGV-UHFFFAOYSA-N	301.293	1.523	50	20	DDGD	
COc1cc(C(=O)NNc2nccnc2OC)cc(OC)c1C	274094453	NSWARARSISZEFD-UHFFFAOYSA-N	318.333	1.568	50	20	DDGD	
C[C@@H]1C[C@H](CNC(=O)NNC(=O)c2ccccc2F)CCO1	271656836	LSMFERGWEGSHFD-GHMZBOCLSA-N	309.341	1.585	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H]2CCn3cncc3C2)c1	362138852	SHUUGLQCYNTTKX-SNVBAGLBSA-N	304.325	1.737	50	20	DDGD	
O=C(NNc1ccc(F)cc1)c1ccn([C@@H]2CCCNC2)n1	275732871	USVQZGAZQYRSKJ-CYBMUJFWSA-N	303.341	1.704	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)[C@@H]1CCCN1c1ccccc1	370596123	CYKGXUBJMDZVOL-LBPRGKRZSA-N	323.360	1.465	50	20	DDGD	
COCC1(C(=O)NNc2nccnc2Cl)CCOCC1	289843703	ACSXTTKSFRCLMZ-UHFFFAOYSA-N	300.746	1.016	50	20	DDGD	
C[C@@H]1CC(=O)NCCN1C(=O)[C@@H](Br)C(C)(C)C	372108788	OKCNNRPPXHDKAT-PSASIEDQSA-N	305.216	1.533	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	282670642	IUOADVLZXNHNNI-GFCCVEGCSA-N	319.361	1.062	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NNc2ncccc2F)C1	285905684	HVUHDAXLDQNZNN-VXGBXAGGSA-N	322.384	1.949	50	20	DDGD	
O=C(Cc1nnc(O)c2ccccc12)NNc1ncccc1F	804218100	OLNUCEDTDMUNDZ-UHFFFAOYSA-N	313.292	1.555	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C[C@H](C)C2CC2)cc1	801112180	YKBLJOCFXZUENQ-NSHDSACASA-N	303.362	1.517	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cnc1Cl	292904373	ZVEZSOGSUQPFRL-WPRPVWTQSA-N	312.757	1.764	50	20	DDGD	
O=C(CCc1ccc(O)nc1)NNC(=O)Nc1ccccc1	801993619	YOGJIKUWZPPLRX-UHFFFAOYSA-N	300.318	1.573	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CCc1scnc1C	298185295	TUHOCUYJGUBSDT-UHFFFAOYSA-N	319.386	1.854	50	20	DDGD	
O=C(NNC(=O)c1coc2c1C(=O)CCC2)NC1CCCC1	294594918	CHYLDRGATJANEN-UHFFFAOYSA-N	305.334	1.685	50	20	DDGD	
CCc1ccccc1CC(=O)NNc1ccc(-n2ccnc2)nn1	804956992	KVQTXNWSVKEYJX-UHFFFAOYSA-N	322.372	1.911	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1ccnc(C2CC2)n1	803438703	AVVMTPPEUDQAQN-UHFFFAOYSA-N	321.340	1.952	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCOc2ccccc21)[C@@H]1CCCCO1	295648244	UQWKJTUAWLRISS-JSGCOSHPSA-N	304.346	1.269	50	20	DDGD	
CN(C)c1nccc(NNC(=O)Cc2ccc(Cl)cn2)n1	806901654	LBZDQUHRZRBTPU-UHFFFAOYSA-N	306.757	1.277	50	20	DDGD	
CC[C@@H](C)CONC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	291760374	LMNUFYQJLHVBFC-MFKMUULPSA-N	323.349	1.135	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)NCC2(N(C)C)CCC2)c1	298197281	FIWUYSJADXMQMT-UHFFFAOYSA-N	319.409	1.755	50	20	DDGD	
CC(=NNC(=O)Cc1ccncc1)c1cccc(-n2ccnn2)c1	807975171	IMYQSISHASEOKJ-UHFFFAOYSA-N	320.356	1.745	50	20	DDGD	
COC[C@]1(C)CCN(C(=O)NNC(=O)c2ccccc2C)C1	296106335	GKXDGFWSZPGRIK-MRXNPFEDSA-N	305.378	1.708	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)N=c2cc[nH]cc2)cc1F	802027712	UBAHCGOEPMSRQA-UHFFFAOYSA-N	318.308	1.047	50	20	DDGD	
Cc1cc(=O)c(C(=O)NN(C)C2CC2)nn1-c1ccccc1F	819642848	SCSKUPKWKFXWNP-UHFFFAOYSA-N	316.336	1.419	50	20	DDGD	
COc1ccc(C=NNC(=O)Cc2cc[nH]n2)cc1[N+](=O)[O-]	814954948	QTUSQCADLJEKOL-UHFFFAOYSA-N	303.278	1.019	50	20	DDGD	
Cc1cnn([C@@H]2CCN(C(=O)NNC(=O)C3CCCC3)C2)c1	811910255	YUOODAIDTPYIAE-CYBMUJFWSA-N	305.382	1.369	50	20	DDGD	
Cc1sc(C(=O)NNC(=O)CN(C)C)cc1Br	819876470	VOYMRAZTMOHZAW-UHFFFAOYSA-N	320.212	1.142	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=C1COc2cc(F)ccc21	814864136	QKIYRGWMYJKMGQ-UHFFFAOYSA-N	324.315	1.929	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)CN1CCC(C)CC1	819715811	ISVQBPCTVUGWSM-UHFFFAOYSA-N	323.368	1.787	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@](C)(O)C1CCC1)c1ccccc1	813448849	RQZKGQBWIBQBIF-WMLDXEAASA-N	304.390	1.879	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2conc2C(F)(F)F)n1	816837081	JMFGSAGDRZGMEL-UHFFFAOYSA-N	301.228	1.857	50	20	DDGD	
COCCC(C)=NNC(=O)c1nn(C)c(=O)c2ccccc12	814740254	KCOITNGJQNBYLW-UHFFFAOYSA-N	302.334	1.076	50	20	DDGD	
COc1ccc(OCC(=O)NN=C(C)c2csc(N)n2)cc1	812387744	QYOKDZKCCDXKAH-UHFFFAOYSA-N	320.374	1.653	50	20	DDGD	
Cc1cc(C(=O)NN=C2CC(C(=O)O)(c3ccccc3)C2)n[nH]1	814876289	QXKFGGQQYGMKCJ-UHFFFAOYSA-N	312.329	1.620	50	20	DDGD	
C=CCCC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O	726620057	SNZRFEJQMMGNPG-UHFFFAOYSA-N	300.318	1.305	50	20	DDGD	
O=C(NC[C@@H]1COc2ccccc21)NNc1nc2ccccn2n1	812442701	HPPKQUVZCJLVNQ-LLVKDONJSA-N	324.344	1.532	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1csc2ccccc12	812438908	IFVFMLHXBBGEOG-UHFFFAOYSA-N	301.371	1.974	50	20	DDGD	
NS(=O)(=O)c1ccc(NC(=O)NN=Cc2cccs2)cc1	814967912	FWNXBYVDJWRMIO-UHFFFAOYSA-N	324.387	1.551	50	20	DDGD	
CN1CC[C@](Cc2ccccc2)(C(=O)NN(C)C2CC2)C1=O	823788932	DDXPXNOEDJNUQU-KRWDZBQOSA-N	301.390	1.203	50	20	DDGD	
COC[C@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)c1ccc(C)o1	491044207	BNWPZOATWIPTQD-XMRSSTEGSA-N	314.345	1.732	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)[C@H](C)Oc1ccc(F)cc1	491746116	ZNFGNOFFGNMUCI-LBPRGKRZSA-N	314.320	1.573	50	20	DDGD	
CN(CCNC(=O)/C(C#N)=C/c1cnn(C)c1)Cc1ccccc1	491101630	FSCHDJALDUKUEL-LICLKQGHSA-N	323.400	1.575	50	20	DDGD	
CC1CCN(C[C@H](C)NC(=O)NNC(=O)CC(F)(F)F)CC1	822698545	VYLJABOMCNNXMO-JTQLQIEISA-N	324.347	1.390	50	20	DDGD	
O=C1C[C@@H](C(F)(F)F)[C@H](C(=O)NNc2ccccc2)CN1	821142293	AXRBYZXFTJWYGB-NXEZZACHSA-N	301.268	1.444	50	20	DDGD	
CN(C)CC(=O)NN=CCN(C(=O)OC(C)(C)C)C(C)(C)C	492460213	XECPQNQJCCRQBH-UHFFFAOYSA-N	314.430	1.686	50	20	DDGD	
C=CCN(Cc1cccs1)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	827315700	UROQCVDITFBXKT-DGCLKSJQSA-N	323.418	1.902	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCC1	496161292	LTSLUUQYPRHQKV-SNVBAGLBSA-N	314.386	1.030	50	20	DDGD	
COC[C@H](C)NC(=O)NNC(=O)c1cccc(OC(F)F)c1	728695678	HPSYTHWCUMKQJQ-QMMMGPOBSA-N	317.292	1.267	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H]1COc2cc(F)ccc2C1	822518113	KCPPUPNMCRWOGK-LBPRGKRZSA-N	309.341	1.506	50	20	DDGD	
CCN(CCO)NC(=O)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C	823840905	ABFMNFZBTJIWBM-RRFJBIMHSA-N	300.443	1.809	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)N[C@@H]1C=CCC1	821074608	MVYRARVKUKASDM-LLVKDONJSA-N	321.402	1.836	50	20	DDGD	
OB(O)[C@@H]1CCN(Cc2ccc(Sc3ccccn3)o2)C1	585077451	UJHUQEKDNSAJGS-LLVKDONJSA-N	304.180	1.875	50	20	DDGD	
CCNC(=O)C1(CNC(=O)[C@@]2(C)C[C@@H]2Br)CCC1	907721800	OSVSVKLESFHGDY-CABZTGNLSA-N	317.227	1.583	50	20	DDGD	
CC(C)C[C@H](C)NC(=O)NNc1cccc(-c2nn[nH]n2)c1	824228136	FLDJBDAKYUONRD-JTQLQIEISA-N	303.370	1.927	50	20	DDGD	
Cc1ccncc1/C=C/C(=O)NNC(=O)c1cccc(C#N)c1	492458295	LSTPZNAMAZVFPR-AATRIKPKSA-N	306.325	1.736	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@]2(C)C[C@H]2Br)C[C@@H](C)S1=O	907700476	NQXINEBICWOBGE-TURQNECASA-N	308.241	1.528	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)c2c[nH]nc2C)cc1OC	735410541	LBTQZNSUVPPSGX-UHFFFAOYSA-N	302.334	1.889	50	20	DDGD	
Cc1ccc2c(c1)CC[C@@H]2NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	825761695	QFCKZXRKNDEMKR-KYOSRNDESA-N	317.389	1.738	50	20	DDGD	
COC(=O)c1ccc(Cl)c(C(=O)NN(C)[C@@H](C)CO)c1	823924060	XVUQUHQIBVAOAK-QMMMGPOBSA-N	300.742	1.084	50	20	DDGD	
CC[C@@H]1C[C@@H](c2nc(-c3cccc(B(O)O)c3)no2)CCO1	585053664	NYSQOGYHQUIDCH-WCQYABFASA-N	302.139	1.089	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cccc2ccsc12	495366473	COVRYEVYHLLGPZ-UHFFFAOYSA-N	307.331	1.617	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)CCCC#N	496965716	XAVSRZZTECYUCJ-UHFFFAOYSA-N	312.370	1.133	50	20	DDGD	
CCOC(=O)[C@H](CC(=O)NNc1nccnc1C(C)C)C(C)=O	834581115	ULVUGNNOMMGMRG-LLVKDONJSA-N	322.365	1.202	50	20	DDGD	
C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cccc(B(O)O)c1	584954791	LGHXIURFVVKGQW-GOEBONIOSA-N	323.201	1.460	50	20	DDGD	
O=S(=O)(CCl)N1CCC(CO)(Cc2ccccc2)CC1	831294298	ZDJDNJSVXNUZPB-UHFFFAOYSA-N	317.838	1.830	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cccc(CC#N)c1	831855623	YYVPXGFUJRMWGV-GXFFZTMASA-N	302.334	1.330	50	20	DDGD	
C[C@H](CN1CCCCCC1)C(=O)NN=C1CCNC(=O)CC1	834934229	MRCMWDHWDHPGKD-CYBMUJFWSA-N	308.426	1.271	50	20	DDGD	
CCCc1ccccc1S(=O)(=O)NNC(=O)NCC1CC1	901609741	HRGQOGBLODXQLP-UHFFFAOYSA-N	311.407	1.542	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1ccnn1CC1CCC1	901247696	KPWDMQPRDYZBOD-UHFFFAOYSA-N	300.366	1.489	50	20	DDGD	
C[C@H](CCc1ccccc1F)C(=O)NNC(=O)c1ncon1	832825615	BMJFHEGSGTVOHK-SECBINFHSA-N	306.297	1.239	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)CCOc2ccccc2)[nH]1	900435884	ROTJYXSOXHNHCU-UHFFFAOYSA-N	302.334	1.257	50	20	DDGD	
O=C(C[C@@H]1CCC(=O)N1)NNc1ncc(Cl)cc1Cl	832395562	NWMABYHOSCBNIW-ZETCQYMHSA-N	303.149	1.500	50	20	DDGD	
CC(C)(C)C(=O)NCCNC(=O)[C@@]1(C)C[C@H]1Br	906483530	BFPYCVYTEPDMJP-PELKAZGASA-N	305.216	1.438	50	20	DDGD	
Cc1ccc([C@@H](CNCc2ccccc2B(O)O)N(C)C)cc1	585019646	QJIWKRWILWNNEZ-GOSISDBHSA-N	312.222	1.067	50	20	DDGD	
O=C(NNC(=O)[C@]1(Cl)C[C@H]2CC[C@H]1O2)NC1CCCC1	906438053	HUWXVFBRRKWJBQ-BREBYQMCSA-N	301.774	1.188	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1ccc(N2CCOCC2)s1	735410593	MWPRKIMRFCMLCE-UHFFFAOYSA-N	319.390	1.380	50	20	DDGD	
C/C(Cl)=C\C(=O)NNC(=S)NCCc1cccs1	900050836	JWYMZPBFAJRLPU-BQYQJAHWSA-N	303.840	1.929	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)COCC2CCCC2)cc1	836214682	TWFDJMCCDIJPOY-UHFFFAOYSA-N	320.389	1.728	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)[C@H]2CCCCO2)c(C)c1	836256005	LKPFYICMCCMQOC-OAHLLOKOSA-N	319.405	1.745	50	20	DDGD	
C[C@H](CC(=O)NNc1cc(C#N)cc(Cl)n1)c1cnn(C)c1	839718852	XQGBILNSKWIFEB-SECBINFHSA-N	318.768	1.977	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNC(=O)C(C)(C)c1ccccc1	731201509	NZFVPNLIWFKLNC-LLVKDONJSA-N	305.378	1.026	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)Cc1ccc(OC)cc1OC	732196988	JFXUDFBVGJERQF-NSHDSACASA-N	323.393	1.082	50	20	DDGD	
CC(=NNC(=O)[C@H]1COc2ccccc2O1)[C@H]1C[C@H]2CC[C@H]1O2	834917554	DXCHFBHQCNXKMA-BRXULGCHSA-N	316.357	1.886	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@H](O)c2cccnc2)o1	732278959	GSWKBZMLEZYZSI-LLVKDONJSA-N	301.306	1.241	50	20	DDGD	
O=C(O)NCCC(=O)NNc1ccc(Br)cc1	739938048	MUIHRLWOFBGUQV-UHFFFAOYSA-N	302.128	1.550	50	20	DDGD	
COc1cc(C(=O)NN(C)C[C@H](C)O)ccc1OC(F)F	910183386	PYWJUXXKJJBXEP-QMMMGPOBSA-N	304.293	1.254	50	20	DDGD	
CCc1nc(CNC(=O)NNc2cccc(C(=O)OC)c2)co1	838691375	ADIXYPHWFYJBRX-UHFFFAOYSA-N	318.333	1.850	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)NC[C@@H]2CCCO2)cc1	742710986	UDZCMZGJHUYDMJ-ZDUSSCGKSA-N	321.381	1.267	50	20	DDGD	
Cc1c(C=NNC(=O)c2ccc[nH]2)c(=O)n(-c2ccccc2)n1C	912806642	UEGMTHZCODWFDA-UHFFFAOYSA-N	323.356	1.576	50	20	DDGD	
O=C(NN=Cc1cc2ccccc2nc1N1CCOCC1)C1CC1	916289585	ZCQUGNHIFAPSHH-UHFFFAOYSA-N	324.384	1.932	50	20	DDGD	
Cc1ccc2c(c1)N(CC(=O)NNC(=O)C(C)(C)C)C[C@@H](C)O2	747970150	OUSPRFHJTUEIGH-GFCCVEGCSA-N	319.405	1.776	50	20	DDGD	
CC1CCN(C[C@H](C)C(=O)NN=Cc2ccc(C#N)o2)CC1	743431722	ZZWASQNZBRSGRC-ZDUSSCGKSA-N	302.378	1.969	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Nc1cccc(C(N)=O)c1	915906361	FLZIQFBRNYOXSX-UHFFFAOYSA-N	312.329	1.560	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cc(C)cc2cccnc12	917744880	IXBSNSKCDLFILE-NSHDSACASA-N	321.402	1.899	50	20	DDGD	
O=C1CC[C@@]2(C(=O)NNc3cccnc3Cl)SCCN12	840480741	VGCNRJYAUZPPRQ-LBPRGKRZSA-N	312.782	1.244	50	20	DDGD	
Cc1cnc(COCC(=O)NNc2nc3ccccc3n2C)o1	848380405	FFXWFNDNERYRQQ-UHFFFAOYSA-N	315.333	1.530	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=Cc2ccccc2C(=O)O)cc1	916300158	PQNJJEQMCWZIJC-UHFFFAOYSA-N	323.308	1.786	50	20	DDGD	
Cc1cc(C)cc(OCCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	843647007	XOFLSWRNRMJIRM-HIFRSBDPSA-N	320.389	1.645	50	20	DDGD	
COCC1(CC(=O)NNc2ccc(S(C)(=O)=O)cc2)CC1	843830725	KBDFQYWGEQRPGZ-UHFFFAOYSA-N	312.391	1.350	50	20	DDGD	
CCOC(=O)[C@@H](Cc1ccccc1)NNC(=O)[C@@H]1CCCCO1	842151652	WMEYVAQEIFGIRS-CABCVRRESA-N	320.389	1.351	50	20	DDGD	
Cc1noc(C(F)(F)F)c1C(=O)NNC(=O)c1ccccn1	746092215	XOBMKQTWKDVFHP-UHFFFAOYSA-N	314.223	1.472	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cc2ccccc2F)s1	749386008	OIILESJKZDVUOO-UHFFFAOYSA-N	303.318	1.763	50	20	DDGD	
O=C(NC[C@@H]1CCS(=O)(=O)C1)NNc1cc(F)ccc1F	914009035	XJOAIZKCTMQKHL-QMMMGPOBSA-N	319.333	1.026	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)c([N+](=O)[O-])cc1O	842560710	YSQDDZOWBCBCMY-PSASIEDQSA-N	323.305	1.184	50	20	DDGD	
NC(=O)N1CCC(=NNC(=O)c2ccc(Cl)cc2F)CC1	747646010	JKYMXKMLAKRTHH-UHFFFAOYSA-N	312.732	1.739	50	20	DDGD	
COc1ccc(C(=O)NN(C)C[C@@H](C)O)c(OCC2CC2)c1	910152156	JDAUKGKYVUBEHB-LLVKDONJSA-N	308.378	1.441	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H]1CCCCN1C(=O)c1ccco1	918414296	DRXNOZFTTPPCGC-LLVKDONJSA-N	307.350	1.078	50	20	DDGD	
O=C(NNC(=O)c1cccc(Br)c1)C1=COCC1	742769114	KOUKMZNPOZRPJS-UHFFFAOYSA-N	311.135	1.514	50	20	DDGD	
COc1cc(C(=O)NN(C)C[C@@H](C)O)ccc1OC(F)F	910183385	PYWJUXXKJJBXEP-MRVPVSSYSA-N	304.293	1.254	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](O)[C@@H](C)c1ccc(C)cc1	840572607	VHPRXYOSJFPLGI-AAEUAGOBSA-N	316.361	1.401	50	20	DDGD	
Cc1cc(C(=O)NNc2cccc(F)c2)ccc1-n1cnnn1	748089338	VFKRUPREAKGOSC-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
N#Cc1ccc(NNC(=O)CNC(=O)Nc2ccccc2)cc1	748114881	HFBIPMUWPLTXRT-UHFFFAOYSA-N	309.329	1.823	50	20	DDGD	
CCn1nc(C=NNC(=O)[C@H]2CCO[C@H]2C)c2ccccc21	842561351	KGOPPUJKKGZPPA-RYUDHWBXSA-N	300.362	1.931	50	20	DDGD	
CC(C)(C(=O)NNC(=S)NC[C@@H]1CCOC1)c1ccccc1	749708287	VGWXDWRRTICBKD-LBPRGKRZSA-N	321.446	1.496	50	20	DDGD	
Cc1c(NNC(=O)c2ccc3nncn3c2)cccc1[N+](=O)[O-]	748673268	FJXJKMBDPDTNQD-UHFFFAOYSA-N	312.289	1.703	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=Cc2ccc(C#N)o2)C[C@@H](C)O1	743429283	IVAFOCNGTCAYQV-RWMBFGLXSA-N	318.377	1.347	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1cccc(OC)c1O	844585676	QMFHIAKJQYSPRD-UHFFFAOYSA-N	321.377	1.546	50	20	DDGD	
CCn1c(C)cc(C=NNC(=O)Cc2cc(O)nc(O)n2)c1C	743447618	KOWPDVUGVSMWBM-UHFFFAOYSA-N	317.349	1.019	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=S)NCC2CC2)cc1C	849251705	OBZZLNZEDMUXDC-UHFFFAOYSA-N	307.419	1.588	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H]1CCN(Cc2ccccc2)C1	847345508	JALSJJPUJMTIKR-AWEZNQCLSA-N	303.406	1.702	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CCc3nnc(C)n3C2)cc1F	856230681	YHOQOHQYVMOWSA-NSHDSACASA-N	303.341	1.740	50	20	DDGD	
C[C@H](C(=O)NC[C@]1(C)C[C@H]1Br)N1CCSCC1	857395379	XDLZDDMWEYBWEY-FOGDFJRCSA-N	321.284	1.713	50	20	DDGD	
CCC[C@H](O)CC(=O)NNC(=O)COc1cc(C)cc(C)c1	750051018	GLOQVJKSWBJFEW-ZDUSSCGKSA-N	308.378	1.381	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)N[C@H]1CCCCC1(C)C	757766075	WFQOFEYOPCUUSM-RYUDHWBXSA-N	315.414	1.337	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=Cc2cnnn2C)cc1	751129722	LOMPFPOUGJOWDE-NSHDSACASA-N	317.349	1.131	50	20	DDGD	
Cn1nncc1NNC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	857273738	VCZIUZDNVYPGNZ-JGVFFNPUSA-N	311.267	1.479	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CC[C@@H]2C[C@@H]2C1	852636385	SULQPKHKYMFCBA-HUUCEWRRSA-N	301.390	1.027	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cccc2c1OCCO2	929882167	XTOGXGNGSOPHPY-UHFFFAOYSA-N	303.318	1.414	50	20	DDGD	
COC1CC(C(=O)NNC(=O)COc2cc(C)cc(C)c2)C1	858126532	AVVYDGBWKVEKRJ-UHFFFAOYSA-N	306.362	1.255	50	20	DDGD	
Cn1cc(C=NNC(=O)c2ccccc2O)c(-c2ccncc2)n1	920361647	UPJNFPVNLIJRTF-UHFFFAOYSA-N	321.340	1.952	50	20	DDGD	
COc1ccc2c(c1)[C@@H](C(=O)NNC(=O)c1cc[nH]n1)CCC2	855355318	WEBHJFDVERSGTK-LBPRGKRZSA-N	314.345	1.299	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NN=CC1CCOCC1	853374543	KSYLLGSETSELDT-ZIAGYGMSSA-N	320.393	1.416	50	20	DDGD	
COC(=O)C(C)(C)CCNC(=O)NNc1ccc(Cl)cn1	852322164	COCLBNVMSSNGIF-UHFFFAOYSA-N	314.773	1.950	50	20	DDGD	
CC[C@]1(C)CCN(CC(=O)NNC(=O)c2ccc(C)cc2)C1	758747765	LIUIMYWGDJEICK-QGZVFWFLSA-N	303.406	1.878	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)/C=C/SC	751568751	YHUGIPQSAQSLNJ-CMDGGOBGSA-N	318.402	1.623	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)NC[C@]1(C)CCC(=O)N1	922813863	YHLBFBOWLFDURR-AWEZNQCLSA-N	310.785	1.943	50	20	DDGD	
CC(=NNC(=O)c1cccc(Cl)n1)C(C)(C)n1cncn1	853410530	QGOQBISRIYFJIH-UHFFFAOYSA-N	306.757	1.868	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](C)c2c(C)n[nH]c2C)nc1	752673873	MHLSJZWPOLVFKJ-MRVPVSSYSA-N	317.349	1.455	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1occc1Br	751377307	DWUVMBUGLVCUST-UHFFFAOYSA-N	315.045	1.756	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2cc(F)ccc2C)[C@H]1OC	854006778	NYZHLULXNNDHOS-BFHYXJOUSA-N	311.357	1.953	50	20	DDGD	
COCC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1	853389672	RWQFGWOWCQJQHM-ZBFHGGJFSA-N	317.389	1.017	50	20	DDGD	
C#CCOc1cccc(NC(=O)NNC(=O)Cc2cccnc2)c1	756477990	BKQVSFRBCSTQEW-UHFFFAOYSA-N	324.340	1.489	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cccn(CC(C)C)c1=O	935615438	MOBQRBZQELUAFG-UHFFFAOYSA-N	300.362	1.965	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N=c1cc[nH]cc1[N+](=O)[O-]	757805460	LZQIUINYXMCOSE-UHFFFAOYSA-N	315.289	1.187	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CNC(=O)C2CCCCC2)c1	862473666	DOFINTWGSBYWIT-UHFFFAOYSA-N	323.418	1.514	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2ccc(C(F)(F)F)s2)N1	863152817	GPZHSUNAIZJWLV-ZETCQYMHSA-N	305.281	1.496	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCC(=O)N1)c1cccc(C(F)(F)F)c1	863145908	OCSGYWSISORPQK-LLVKDONJSA-N	313.279	1.824	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCC(O)CC2)cc1)c1cn[nH]c1	863151399	AGUXIJFBBHZCOA-UHFFFAOYSA-N	313.361	1.135	50	20	DDGD	
CC(=O)c1cccc(NC(=O)C(=O)NNC(=O)C2CCCC2)c1	764078128	YSSUVAIMDCMLQH-UHFFFAOYSA-N	317.345	1.165	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2ccc(C(C)(F)F)cc2)n[nH]1	869017770	RYEXXEDBFTWMQA-UHFFFAOYSA-N	322.315	1.834	50	20	DDGD	
C[C@@H](NNC(=O)CCNC(=O)c1ccsc1)C(F)(F)F	862305052	IQZVLYQGQHOANX-SSDOTTSWSA-N	309.313	1.440	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2n[nH]c3cc(C(=O)O)ccc23)o1	765580034	GCDUHISGVHHDDK-UHFFFAOYSA-N	312.285	1.926	50	20	DDGD	
C[C@H]1CCc2c(F)cccc2C1=NNC(=O)[C@@H]1CCC(=O)N1	863149269	WFAXLYSQXKZTBI-ZANVPECISA-N	303.337	1.507	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)OCO2	862994456	VBLHSCIKUXVBBF-LLVKDONJSA-N	319.361	1.049	50	20	DDGD	
O=C(NNc1cccnn1)N[C@@H]1CC[C@H]2SCCS[C@H]12	762635287	VOSGCSPIRFGLRX-FXPVBKGRSA-N	311.436	1.482	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H](CO)Cc1ccccc1	866830864	XZQXWMKEVNOBAJ-CYBMUJFWSA-N	319.854	1.774	50	20	DDGD	
OB(O)c1ccc(CNc2cc3c(cc2Cl)OCCO3)cc1	864030689	QNOZXMYZQGSGKR-UHFFFAOYSA-N	319.553	1.403	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C(=O)NN[C@@H](C)C(F)(F)F)c1C	862304274	MALSHTIZEHWBJT-QMMMGPOBSA-N	321.299	1.993	50	20	DDGD	
CC[C@H](CC(=O)NNC(=O)COCCOC)c1ccc(C)cc1	869910455	SYAGZJPMSKYRIH-CQSZACIVSA-N	322.405	1.689	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@H]2[C@H]3c4ccccc4C[C@H]32)n1	860728617	URYYZYWFVHEWLR-JIMOISOXSA-N	315.764	1.741	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCc1nccc(N)n1	768385979	WRTTYFOJOVOKKM-VIFPVBQESA-N	301.188	1.485	50	20	DDGD	
CC[C@H](SC)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	767672889	FFPJNUZSDSIPHV-LBPRGKRZSA-N	324.402	1.441	50	20	DDGD	
CCO[C@@H]1CCCC1=NNC(=O)c1cc([N+](=O)[O-])ccc1O	766453458	DRLDOPXYDMHVQI-CYBMUJFWSA-N	307.306	1.975	50	20	DDGD	
CCC(=NNC(=O)CN1CCCC1=O)c1ccc(C(=O)O)cc1	760235430	OWFMYBATRPTXDL-UHFFFAOYSA-N	317.345	1.238	50	20	DDGD	
Cc1ccc(CCCCC(=O)NNC(=O)c2cn[nH]c2)cc1	862474936	TYTDGJZRQQZSKZ-UHFFFAOYSA-N	300.362	1.892	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1cc(C)sn1	767415431	OZKOUIWWGLEGAD-UHFFFAOYSA-N	321.358	1.300	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1ccc(SC)cc1	768494476	NDLGNCSPAFCLSL-UHFFFAOYSA-N	303.409	1.263	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cccc(C)c2O)nc1	760784396	DKHSNWODECCXSL-UHFFFAOYSA-N	301.302	1.639	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccncc2)c(C)n1CC1CC1	1115982875	VUMMEGMIGWJEMH-UHFFFAOYSA-N	312.373	1.985	50	20	DDGD	
O=C(NNc1cncc(Br)c1)c1cncc(O)c1	1117006845	KCSFJNUXQVNDDR-UHFFFAOYSA-N	309.123	1.702	50	20	DDGD	
Cn1ccc2c(NC(=O)C(=O)NNC(=O)C(C)(C)C)cccc21	761072766	OZBGUSCJSAGDCV-UHFFFAOYSA-N	316.361	1.310	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)N[C@H]1CC12CCC2	876426384	IPNFRNKHZNLFQR-GWCFXTLKSA-N	321.352	1.866	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CCn2ccnn2)cc1C	873762935	IXNMTYMXACTIHU-UHFFFAOYSA-N	318.406	1.303	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1cnc2ccccn12	777904579	NNBNFJVXHWZXCW-UHFFFAOYSA-N	317.349	1.309	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=C2CC(=O)N3CCCC[C@H]23)cc1	872411014	UDEIOZCIHAYTSS-CYBMUJFWSA-N	315.329	1.255	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccn(Cc2ccccc2)n1	878357276	IDOKMHCGVAMYJY-UHFFFAOYSA-N	303.366	1.546	50	20	DDGD	
O=C(CNC(=O)c1cccc(O)c1)NNc1ccccc1Cl	779010270	KWVSFWCXGQZDQD-UHFFFAOYSA-N	319.748	1.919	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1cccn2c(O)nnc12	771701899	PVJXIPQITUBXDX-UHFFFAOYSA-N	301.281	1.639	50	20	DDGD	
C[C@](O)(CC(=O)NNC(=O)c1nc2ccccc2s1)C1CC1	874913235	ABSXUDPCSIMSGF-HNNXBMFYSA-N	319.386	1.608	50	20	DDGD	
CC(C)[C@]1(C)C[C@@H]1C(=O)OCC(=O)NNC(=O)c1ccccc1	775071730	DVIBLUCVSBQJCT-DYVFJYSZSA-N	318.373	1.673	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=CCCc1ccc(F)cc1	1116957222	VTPVUHOAJSIDAC-UHFFFAOYSA-N	317.320	1.883	50	20	DDGD	
CS(=O)(=O)c1ccc([C@H](O)CN2CC=C(C#N)CC2)cc1	779586091	NMHZDQQBVBBGNM-OAHLLOKOSA-N	306.387	1.279	50	20	DDGD	
CC[C@@H](CO)C(=O)NNC(=O)c1cc(-c2ccccc2)on1	779729988	DDKOLXMYMQMPIW-JTQLQIEISA-N	303.318	1.121	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C1(Oc2ccccc2)CC1	1119594482	WOHRPMUGANEFJL-UHFFFAOYSA-N	307.419	1.892	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N[C@H](C)c1cccc(C#N)c1	775337906	LAKDCRGFYHFHRB-OLZOCXBDSA-N	316.405	1.791	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC(F)(F)F)nn1[C@@H](C)C1CC1	777521876	JQTSQBBMJXJWBA-QMMMGPOBSA-N	318.299	1.876	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)Cc2ccc3c(c2)OCO3)n1	779373688	WDPQIUFAIQDNHZ-UHFFFAOYSA-N	321.724	1.127	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)c1cccnn1)CC(F)(F)F	883691609	LBBBHMRYABNSAL-MRVPVSSYSA-N	319.287	1.399	50	20	DDGD	
CC(C)(CC(=O)NNC(=O)C1CCOCC1)c1ccccc1	883062673	MTBSPUSPQRFQBN-UHFFFAOYSA-N	304.390	1.928	50	20	DDGD	
CC(C)(C)CC(=O)NN=C1C(=O)Nc2c(F)cc([N+](=O)[O-])cc21	774384859	GVBJSHKHNPXHBS-UHFFFAOYSA-N	322.296	1.943	50	20	DDGD	
COc1cccnc1NC(=O)NNC(=O)c1ccccc1C	771790643	DKGRNHHDNWYDIE-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)NNc1ccccn1	777471529	NQTFAKBPWZYUJR-LBPRGKRZSA-N	307.398	1.647	50	20	DDGD	
CC(=O)NCc1cn([C@@]2(Cl)C[C@@H]2CCBr)nn1	881382980	RVNXXAZGCLPPIG-WPRPVWTQSA-N	321.606	1.611	50	20	DDGD	
C[C@@H]1Oc2ccccc2[C@H]1NC(=O)NNC(=O)C1CCOCC1	883650513	HMJLHVXYQWRJJQ-HZMBPMFUSA-N	319.361	1.266	50	20	DDGD	
CCC(=NNC(=O)CNC(=O)c1cccs1)c1cn[nH]c1	789005054	MCWKJZHGNJVZKG-UHFFFAOYSA-N	305.363	1.132	50	20	DDGD	
CNC(=O)c1cccc(OS(=O)(=O)CBr)c1	782415215	OFNWAFGOZZLPAO-UHFFFAOYSA-N	308.153	1.107	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NNc1c(F)cc(F)cc1F	885150733	HZZHIEYQNKEIPV-GFCCVEGCSA-N	315.295	1.948	50	20	DDGD	
COc1ccc(NNC(=O)NCCOc2ccccc2F)nc1	780946849	AOPUCHCYJWSDCJ-UHFFFAOYSA-N	320.324	1.934	50	20	DDGD	
C[C@H](CBr)COC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1	787834715	UXNTYYIRXXTTAU-OPRDCNLKSA-N	306.200	1.852	50	20	DDGD	
Cc1noc(C2CC2)c1C(=O)NNC(=O)Cc1cccnc1	783957993	PVMWTYOCBBUJAZ-UHFFFAOYSA-N	300.318	1.259	50	20	DDGD	
O=C(CN1CCc2ccccc2C1=O)NNC(=O)C1CCCC1	788739125	PVNIVHDITVCTFG-UHFFFAOYSA-N	315.373	1.023	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc3nsnc3c2)nc1	781537903	XGBVYFFONVSRCI-UHFFFAOYSA-N	301.331	1.852	50	20	DDGD	
CNC(=O)c1n[nH]c(C2CCN(C[C@@H]3[C@H](C)[C@H]3Cl)CC2)n1	895041646	KUOBMZREMQVCRZ-JMJZKYOTSA-N	311.817	1.217	50	20	DDGD	
N#Cc1ccc(CNC(=O)NNC(=O)c2ccccc2F)nc1	780642499	YSGYBEDCOTWDSV-UHFFFAOYSA-N	313.292	1.237	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)NOC[C@H]1CCOC1	788126148	SVKBCVXFYQTUIS-QMMMGPOBSA-N	309.351	1.286	50	20	DDGD	
CC(=O)Nc1cccc(CC(=O)NNC(=S)NC(C)(C)C)c1	899998608	UJOQJAFOUJEKMV-UHFFFAOYSA-N	322.434	1.481	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H]1CCn2cncc2C1	798311232	KKSMISKCUMRJPH-GFCCVEGCSA-N	313.361	1.607	50	20	DDGD	
CCN(CC)C[C@@H](C)NC(=O)NNC(=O)c1cccc(C)n1	792929832	SJRRUNFESNHAAR-GFCCVEGCSA-N	307.398	1.064	50	20	DDGD	
CCOCC(=O)NN=C(C)Cn1cc(C(F)(F)F)ccc1=O	794508165	REPAJPXPCHAHTE-UHFFFAOYSA-N	319.283	1.396	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCc2nccs2)n1	792880522	ZXZVFEWFPWXIQZ-UHFFFAOYSA-N	305.363	1.033	50	20	DDGD	
C#Cc1ccc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)cc1	792627893	IWYGNYJANNNPFK-UHFFFAOYSA-N	316.324	1.408	50	20	DDGD	
CCN(Cc1ccncc1)[C@@H](C)C(=O)NNC(=O)CC(C)C	1319907014	SKUMLJBZGSUPGB-ZDUSSCGKSA-N	306.410	1.486	50	20	DDGD	
O=C1Cc2cc(C(=O)NNC(=O)C3CCCC3)c(Cl)cc2N1	1319268735	RQWOZGUXMKJKPG-UHFFFAOYSA-N	321.764	1.786	50	20	DDGD	
Cc1c(C(=O)NNC(=S)NCC2CCC2)ccc2cncn12	1328430567	IOIUADDAAXWIDA-UHFFFAOYSA-N	317.418	1.552	50	20	DDGD	
CCOC(=O)c1ncc(C(=O)NNc2cccc(C#N)c2)s1	1329009196	PEGZRXZHEFPAOS-UHFFFAOYSA-N	316.342	1.948	50	20	DDGD	
Cc1conc1NC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	1323844005	HEIRDMNQUTZAMD-VIFPVBQESA-N	322.296	1.742	50	20	DDGD	
CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)CCl)c1	1324702229	SQXWRBPMTNJUHS-UHFFFAOYSA-N	304.799	1.941	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCOc2c(C)ccc(C)c21	1320192167	ODGJNUBVLPCNDT-UHFFFAOYSA-N	305.334	1.262	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1nccc(Cl)c1F	1324570356	XJCLRYSDXJHOJM-QMMMGPOBSA-N	301.705	1.204	50	20	DDGD	
C=C(C)CN(C)C(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1328547498	LLCWJJPVVTUGDH-SKDRFNHKSA-N	303.200	1.311	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)/C=C/c2cnccc2C)cc1	1320042788	DOCPUXJVOBTPFF-VMPITWQZSA-N	311.341	1.873	50	20	DDGD	
Cc1nc(Cl)ccc1NC(=O)NNC(=O)C1CCNCC1	1326088579	RDCBHTUFGXAODP-UHFFFAOYSA-N	311.773	1.196	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H](C)n1ccc(C(F)(F)F)n1	1331846623	RHFFGVDERHKVMA-SSDOTTSWSA-N	323.344	1.367	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NCc2cccnc2O)nn1	1330549286	WNPIUIOIQVUUKY-UHFFFAOYSA-N	316.365	1.701	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNC(=O)c1cncn1-c1ccccc1	1338680349	UOJUCCLMBSRUML-UHFFFAOYSA-N	323.356	1.594	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)C1(C(=O)O)CC2(CCC2)C1	1600566283	VQBPEPJYGWHIDB-UHFFFAOYSA-N	316.357	1.791	50	20	DDGD	
Cn1ncc(C(=O)O)c1C=NNC(=O)c1ccc(Cl)cc1	1605550721	WZCAYBIHVFURFB-UHFFFAOYSA-N	306.709	1.536	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@]2(C(=O)O)C[C@H]3CC[C@H]2C3)c1	1605381276	MBQUXHMFAYVQNN-AMJWSMQMSA-N	322.386	1.709	50	20	DDGD	
Nc1nc(Cl)ccc1C(=O)NNc1cccc(C(=O)O)c1F	1601219927	MQGFOHFKNSOSML-UHFFFAOYSA-N	324.699	1.911	50	20	DDGD	
COc1cccc(C(=O)NNc2cccc(C(=O)O)c2F)c1O	1607305487	RMSQTLVAHCWHDD-UHFFFAOYSA-N	320.276	1.995	50	20	DDGD	
O=C(O)CC(=O)NNC(=O)Nc1ccc(Br)cc1	1601888341	YJOXDQRNXPTSRY-UHFFFAOYSA-N	316.111	1.077	50	20	DDGD	
Cc1nn(C)cc1CCC(=O)NNc1cccc(C(=O)O)c1	1608003048	BYURGRGLFPGJMK-UHFFFAOYSA-N	302.334	1.503	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc(C(=O)O)n2)cc1F	1610484953	RPVOAVKLWXVEAY-UHFFFAOYSA-N	317.276	1.302	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccccc2C(=O)O)n1	1611074850	RFQSYFYHPFFLLE-UHFFFAOYSA-N	303.278	1.332	50	20	DDGD	
CCOCc1nc(Cl)cc(NNC(=O)c2ccc(N)cn2)n1	1578127252	QVLNOCBLHXHFEA-UHFFFAOYSA-N	322.756	1.401	50	20	DDGD	
Cc1ncoc1C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1842502640	CYLMGOKZBLFDQI-SNVBAGLBSA-N	315.732	1.334	50	20	DDGD	
O=C(O)[C@H](C(=O)NNc1ccc(-c2ccccc2)nn1)C1CC1	1594836490	WTCBZJMVMPAZSZ-AWEZNQCLSA-N	312.329	1.698	50	20	DDGD	
CCOCCC(=O)N1CCCC12CN(C(=O)[C@@H](Cl)CC)C2	1846681630	WRWHSCZQWHYMPI-LBPRGKRZSA-N	316.829	1.634	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)[C@H]1C[C@@H]1c1ccccc1	1593163440	VVGNMISTXKZIRA-OLZOCXBDSA-N	321.344	1.509	50	20	DDGD	
C[C@@H]1[C@H](C(=O)O)CCN1C(=O)NC[C@]1(C)C[C@H]1Br	1594151820	ZKYKLFRTQQCYFW-HNBLOZHYSA-N	319.199	1.665	50	20	DDGD	
CN1CCCC[C@H]1CCC(=O)NNc1ccc(C(=O)O)cn1	1598599260	RGQHDMOBJBKWKQ-LBPRGKRZSA-N	306.366	1.487	50	20	DDGD	
CC1(C)OCC[C@H]1NC(=O)NNc1ccc(F)c(C(=O)O)c1	1593982772	XDMKCVYBEDBJHU-LLVKDONJSA-N	311.313	1.718	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NN=Cc1cc(C(=O)O)c(Cl)s1	1776101899	BLVUDPBZABGAJQ-APPZFPTMSA-N	316.766	1.975	50	20	DDGD	
C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](Cl)CC)CCO2	1783917593	LNZCZSCTZKZITR-WFASDCNBSA-N	314.813	1.410	50	20	DDGD	
CC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn[nH]c1	1797041651	AMDZTYGGXPKWDG-RNJOBUHISA-N	324.812	1.679	50	20	DDGD	
CCc1ccccc1NC(=S)NNC(=O)c1cnn(C)c1	16782242	YEOVXWDFYKXRKM-UHFFFAOYSA-N	303.391	1.614	50	20	DDGD	
CCONC(=O)NNC(=O)c1cc(-c2ccc(C)cc2)n[nH]1	166501695	MNUWYENZQNGCRG-UHFFFAOYSA-N	303.322	1.281	50	20	DDGD	
COC(=O)[C@H](NNC(=O)c1ccc(C#N)cc1)c1cccnc1	152239746	YBZLQBLDQKQGCZ-CQSZACIVSA-N	310.313	1.102	50	20	DDGD	
N#Cc1ccc(NNC(=O)Nc2ccc(-n3cnnn3)cc2)cc1	153768048	FLKVPBFDFRVOBA-UHFFFAOYSA-N	320.316	1.683	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ccncc1Cl)N1CCCC1=O	154590747	NYZRKAPRTWQXSH-CYBMUJFWSA-N	310.785	1.825	50	20	DDGD	
C[C@@H](Cl)C(=O)Nc1ccc(N2CCC[C@H](C(N)=O)C2)nc1	1887504124	GCTKOLQSDMXBMS-ZJUUUORDSA-N	310.785	1.349	50	20	DDGD	
O=C(COC(=O)CCC1CCCC1)NNC(=O)c1ccccc1	3403045	ORVQFCZHNAVKCI-UHFFFAOYSA-N	318.373	1.961	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)NC(C)(C)C)cc1OC	8301673	PWDMUTFRWICRKW-UHFFFAOYSA-N	311.407	1.611	50	20	DDGD	
O=C(COc1cccc([N+](=O)[O-])c1)NNc1ccc(Cl)nn1	118498240	XAXWOQHQLQQTST-UHFFFAOYSA-N	323.696	1.560	50	20	DDGD	
Cc1ccc2[nH]c(C(=O)NNC(=O)c3c[nH]nc3C)cc2c1C	116755560	HLKYPAQURJNNBB-UHFFFAOYSA-N	311.345	1.891	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC[C@H]2CCC[C@H](C)C2)n1	56814995	SPLIEYCZCABOIY-FZMZJTMJSA-N	321.425	1.657	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1cncc(O)c1	109936011	WUCIVNBLALXCEQ-UHFFFAOYSA-N	323.312	1.252	50	20	DDGD	
CCN(CCNC(=O)NNc1cncc(Cl)n1)C(C)C	102571590	GJNWOZAPARRWBH-UHFFFAOYSA-N	300.794	1.486	50	20	DDGD	
Cc1occc1CN(C)C(=O)NNC(=O)c1ccc(C#N)cc1	103514922	BXTMGMFLEHCOSF-UHFFFAOYSA-N	312.329	1.946	50	20	DDGD	
COc1ccnc(NNC(=O)c2oc3c(c2C)C(=O)CCC3)n1	52582027	RFTVWJJMDBJEAC-UHFFFAOYSA-N	316.317	1.663	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(C(C)C)n(C)n2)c(O)c1	175313603	LISULWXYAHOMHH-UHFFFAOYSA-N	316.361	1.632	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccc3nccnc3c2)c1	103403366	VXTDJTZONVJISG-UHFFFAOYSA-N	317.308	1.576	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc(-n3cc(C)cn3)cc2)n1	52582344	ICTORYABNCRAJG-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2ccc([N+](=O)[O-])cc2)c1	119124885	RBPSBBGXWJEURU-UHFFFAOYSA-N	314.301	1.985	50	20	DDGD	
CN(C)S(=O)(=O)NNC(=O)c1c(Cl)cccc1Cl	172892091	NPTNCTWQIWVQSL-UHFFFAOYSA-N	312.178	1.034	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@H](C)C(=O)NNc1nccnc1Cl	173615236	GDKDRKWZVHABCH-QMMMGPOBSA-N	322.800	1.802	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@H](O)CC(C)(C)C)s1	172287008	CYZWHKGKBYQNSS-SNVBAGLBSA-N	313.423	1.798	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O	68451306	MBINBXOCGRKFTD-LLVKDONJSA-N	324.768	1.043	50	20	DDGD	
COCCOc1ccccc1C(=O)NNc1cc(C)ncn1	172280424	WNNVLYQGVXYDKL-UHFFFAOYSA-N	302.334	1.567	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NC[C@H]1CCCS1	125399594	LXTGEATZAZJYOW-LLVKDONJSA-N	311.382	1.594	50	20	DDGD	
C[C@H](CO)CSCC(=O)NNC(=O)c1ccc(Cl)cc1	173309142	TWJWDIZCTBUBEJ-SECBINFHSA-N	316.810	1.463	50	20	DDGD	
CCc1ncsc1C(=O)NNC(=O)COc1cccc(C)c1	128311489	SVAXHSRKIJDVJG-UHFFFAOYSA-N	319.386	1.854	50	20	DDGD	
C[S@](=O)CCCNC(=O)NNC(=O)c1cc2ccccc2o1	176500215	VMYACERBKPNAFU-QFIPXVFZSA-N	323.374	1.145	50	20	DDGD	
CC(C)CCn1cc(C(=O)NNc2cccc([N+](=O)[O-])c2)nn1	178836803	LSZOCPKJZVTASI-UHFFFAOYSA-N	318.337	1.989	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@@H](c1ccccc1)C1CC1	179685808	JSVWEQUADARLDS-AWEZNQCLSA-N	303.362	1.253	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2nnc(C(F)F)s2)o1	184607970	GPNZEBYHFRRTPB-UHFFFAOYSA-N	317.277	1.844	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NNc1c(F)cccc1Cl	184677039	HEYKHCDFWSCSSF-UHFFFAOYSA-N	308.762	1.747	50	20	DDGD	
O=C(CCc1ccncc1)NNC(=O)COCc1ccccc1	127888209	YEVIWOVOAUGVDU-UHFFFAOYSA-N	313.357	1.378	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H]1CCCCNC1=O	74215670	MKHBZNHPQRNBTF-NSHDSACASA-N	312.801	1.137	50	20	DDGD	
CCN(CC)S(=O)(=O)CC(=O)NNc1cc(C)ccc1F	127770338	QOYUXPINXXHWGF-UHFFFAOYSA-N	317.386	1.249	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	188902707	VVVUIFZLCLHRDO-LLVKDONJSA-N	319.336	1.701	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1ccc(-n2cnnn2)cc1	184342152	QOUYQMXYTCZXMD-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cn1	74686499	NNJGJWLUCLCTCZ-SNVBAGLBSA-N	320.324	1.271	50	20	DDGD	
CCO[C@H]1C[C@](N)(C(=O)NNc2ccccc2[N+](=O)[O-])C1(C)C	187192117	MOCGDTKKGDGMBH-WFASDCNBSA-N	322.365	1.570	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2c(C)nc3ccccn23)nc1	184264748	IGZXSHLMRQNPPA-UHFFFAOYSA-N	324.344	1.813	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)C1CC=CC1	186062813	KHSMRFXZCXOHHR-UHFFFAOYSA-N	310.375	1.508	50	20	DDGD	
CSc1ccc(Cl)c(C(=O)NNC(=O)CN(C)C)c1	75653113	WGBSCZWCTQBRFS-UHFFFAOYSA-N	301.799	1.385	50	20	DDGD	
C=CC[C@H](C(=O)NNC(=O)N1CCOCC1)c1ccccc1	188780235	LHWUHIMBXPGYRP-AWEZNQCLSA-N	303.362	1.419	50	20	DDGD	
O=C(CCc1ccc2[nH]ccc2c1)NNc1ncnc2nc[nH]c12	182551209	CCENMVMPDITJMS-UHFFFAOYSA-N	321.344	1.910	50	20	DDGD	
O=C(NNC(=O)c1cccc(-n2cccc2)c1)c1ccncc1	194765131	DKSUSTQHYRGRKK-UHFFFAOYSA-N	306.325	1.947	50	20	DDGD	
COc1ccc(NNC(=O)c2n[nH]c3c2CCCCC3)nc1	191067443	KOBTZYFPIHNNCB-UHFFFAOYSA-N	301.350	1.839	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cn1	193134784	MVEMLDOWYLBEKY-UHFFFAOYSA-N	318.764	1.876	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc2ccccc2[nH]1	91822077	DFGAJBIDCWRCLW-UHFFFAOYSA-N	308.432	1.640	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNc1cc(C#N)cc(Cl)n1	93544422	BCUDVYLNXGPYBJ-UHFFFAOYSA-N	323.784	1.746	50	20	DDGD	
CCCCCCOc1ccc(C(=O)NNC(=O)[C@@H](C)N)cc1	236659681	QYNNEFRDQYNVFT-GFCCVEGCSA-N	307.394	1.754	50	20	DDGD	
O=C(NN=Cc1cc([N+](=O)[O-])ccc1O)c1ccc(O)cc1	254509868	PRXJGCMJCBEESW-UHFFFAOYSA-N	301.258	1.770	50	20	DDGD	
O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1ccc([N+](=O)[O-])cc1	254305727	MOSZCGRZQAPLQB-UHFFFAOYSA-N	304.218	1.860	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NC[C@H](C)COC	265539798	FKYHSVMCJNHJIP-LBPRGKRZSA-N	323.393	1.241	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N[C@H]1CCSC1)c1ccccc1	266602713	BOVYJCLVFXXHLN-LBPRGKRZSA-N	307.419	1.800	50	20	DDGD	
CCNC(=O)CCCC(=O)NNC(=O)C(C)(C)c1ccccc1	264672042	SFSGJDQIUODGBG-UHFFFAOYSA-N	319.405	1.418	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1cc(F)cc(OC)c1	268314350	RCJKZBOYQXRTQM-UHFFFAOYSA-N	313.329	1.756	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)CO[C@@H](C)CC)cc1OC	269722691	VEQQYMLZYWRXJG-NSHDSACASA-N	324.377	1.670	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)c2cocn2)o1	264128778	DQRVLHYZHDGLTM-UHFFFAOYSA-N	306.322	1.184	50	20	DDGD	
Cc1cccc2nc(CNC(=O)NNC(=O)C3CCC3)cn12	264798404	SSJMRCZFTHDNMN-UHFFFAOYSA-N	301.350	1.273	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NC[C@]1(C)CCO[C@H]1C1CC1	368658446	IZLALNPLAJKUSD-NHYWBVRUSA-N	313.398	1.931	50	20	DDGD	
C=CCNC(=S)NNC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2	363077765	YQIJEALINXOREP-CPWXYTRJSA-N	323.462	1.389	50	20	DDGD	
CN(C)C1(CNC(=O)NNc2cccc([N+](=O)[O-])c2)CCC1	275573466	CQHCWXFZFQHNMS-UHFFFAOYSA-N	307.354	1.705	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C(=O)NC(CC)CC)c(O)c1	276501003	JIATZBIGMDZRDD-UHFFFAOYSA-N	321.377	1.020	50	20	DDGD	
O=C(NN=c1nc(-c2ccc(Cl)cc2)[nH]o1)c1cc[nH]n1	363623767	RHBXIQOFBYSYJK-UHFFFAOYSA-N	304.697	1.292	50	20	DDGD	
C[C@H](C(=O)NNc1c(F)cccc1F)n1nnnc1C(C)(C)C	273484741	UHFQJXAIFBHADC-MRVPVSSYSA-N	324.335	1.953	50	20	DDGD	
Cc1sc2ncc(C(=O)NNC(=O)CC(C)C)c(=O)n2c1C	271740415	QQMHJZZADGIRBK-UHFFFAOYSA-N	322.390	1.180	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N(C)CCc1cnccn1	271577633	XXWNLNOHXGVWIQ-UHFFFAOYSA-N	313.361	1.314	50	20	DDGD	
COCCN(C)NC(=O)CCCOc1cccc(C(C)=O)c1	288332643	FBQCOVVEXOCTKT-UHFFFAOYSA-N	308.378	1.658	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NCC(F)(F)F)cnn1CC(C)C	281086933	GNMVQOOSZRCSDL-UHFFFAOYSA-N	321.303	1.354	50	20	DDGD	
COCCN(C)NC(=O)CSc1ccc(C(F)(F)F)cn1	288537573	OQXKJLABPYCEHJ-UHFFFAOYSA-N	323.340	1.802	50	20	DDGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNC(=S)Nc2ccccn2)C1	280743311	KFGWAINJKLGUCC-VXGBXAGGSA-N	322.434	1.995	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2CCO[C@@H]2c2cccnc2)nn1	287128733	XLHCAJGUTGYVMV-GXTWGEPZSA-N	314.349	1.336	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(CN2CCCC2=O)cc1	288436576	NUTKHFNLKMFESI-UHFFFAOYSA-N	305.378	1.032	50	20	DDGD	
COc1nccnc1NNC(=O)C(C)(C)c1c(C)noc1C	281542873	MMEKCJKBMYKQEW-UHFFFAOYSA-N	305.338	1.511	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCCO1)C(=O)NNC(=O)Nc1ccccc1	282933891	ZHLOGOCNZMPZHV-OCCSQVGLSA-N	321.377	1.814	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCCN1CCCCC1	287907294	VCXJPIIHPFQALA-UHFFFAOYSA-N	318.421	1.815	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)C(=O)N1CCC[C@@H](C)C1	281259601	OXEDOEFCTIHWGV-LLVKDONJSA-N	318.377	1.406	50	20	DDGD	
COCC1(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)CCC1	283295295	AEJSXZDHKFMHHC-LLVKDONJSA-N	324.352	1.557	50	20	DDGD	
COCC(C)(C)CCCNC(=O)NNc1nccc(OC)n1	288005341	PGMAAAHUCSZCCK-UHFFFAOYSA-N	311.386	1.564	50	20	DDGD	
O=C(NNc1ncncc1F)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2	293012731	LZLCNOMVUGYSDH-MVWJERBFSA-N	321.356	1.590	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNc1ccc([N+](=O)[O-])cc1C	805379745	OBQLISJNXHPGNL-UHFFFAOYSA-N	303.322	1.956	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1[nH]cnc1C(=O)c1ccccc1	806476492	AXKDQTXAFXIALX-UHFFFAOYSA-N	314.345	1.448	50	20	DDGD	
O=C(CC[C@@H]1CCCO1)NNC(=O)c1ccc(Cl)cc1O	298906610	CQLZGQZPKIETGA-JTQLQIEISA-N	312.753	1.766	50	20	DDGD	
CC(C)O[C@@H](C(=O)NNC(=O)N1CCOCC1)c1ccccc1	292215453	QEQXRMIZDIRNCZ-CQSZACIVSA-N	321.377	1.226	50	20	DDGD	
O=C(NCC(Cl)Cl)[C@H]1CC[C@@H](C(F)(F)F)NC1=O	808131100	PICKNLLUGAIQCE-UHNVWZDZSA-N	307.099	1.363	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cnn(CC(C)C)c1C1CC1	806817179	ULMIZEBIOSZHLD-UHFFFAOYSA-N	309.370	1.216	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H]2CCOc3ccccc32)O1	294017165	WIKUGMKERQIWRA-SUHUHFCYSA-N	304.346	1.268	50	20	DDGD	
O=C(NNc1ncccc1F)Nc1ccc2c(c1)C(=O)NCC2	806279186	HOKZTXASFDBTOI-UHFFFAOYSA-N	315.308	1.655	50	20	DDGD	
O=C(CN1CCCC1=O)NNC(=O)Nc1ccc(Cl)cc1	298723939	JLDDWKQZUOPRGP-UHFFFAOYSA-N	310.741	1.115	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCCSC1	809940792	RDAOQUOJNIDSIO-CYBMUJFWSA-N	322.430	1.918	50	20	DDGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](CC(N)=O)C1	808772525	CRLFNZYXUCRMQI-RCROBYIUSA-N	300.318	1.657	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)[C@H]2CCCCO2)cc1F	295593889	PIEPBQVIEKSLJX-CYBMUJFWSA-N	310.325	1.093	50	20	DDGD	
Cc1nsc(NC2CC2)c1C(=O)NNC(=O)c1ccc[nH]1	292330547	COBDCUGTSSDPJP-UHFFFAOYSA-N	305.363	1.429	50	20	DDGD	
C=CCOCC(=O)NNC(=O)Nc1cc(OC)ccc1Cl	802114312	ZOGDQHHZZFBGTA-UHFFFAOYSA-N	313.741	1.704	50	20	DDGD	
NC(=O)Cc1occc1C(=O)NNc1ccc2ccccc2n1	803039155	FGQFPNNCDBGFGW-UHFFFAOYSA-N	310.313	1.613	50	20	DDGD	
O=C(NCC1CCC(F)(F)CC1)NNC(=O)c1ccc[nH]1	800741834	FCHNMAOTTAVSSF-UHFFFAOYSA-N	300.309	1.784	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ncc(F)cc2F)CCCC1	296939036	MDJHTLMQFXIQHO-UHFFFAOYSA-N	319.333	1.160	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1nn(-c2cccc(F)c2)cc1O	803075342	URKPTMSKTIYLJL-UHFFFAOYSA-N	321.312	1.023	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H](C)n2cncn2)cc1C	291096953	DIKSUSRMWHCPOG-LLVKDONJSA-N	317.349	1.468	50	20	DDGD	
CS(=O)(=O)Cc1cccc(C(=O)NNc2cccc(F)n2)c1	804766267	DMFXVJNAPXRFEY-UHFFFAOYSA-N	323.349	1.522	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCCCS1	807372078	ZTLCOBKTSQOQIX-JTQLQIEISA-N	304.412	1.209	50	20	DDGD	
COc1ccc(F)cc1CC(=O)NNC(=O)[C@@H]1CCCCO1	295295818	DSPYLWDNPKVXDE-ZDUSSCGKSA-N	310.325	1.093	50	20	DDGD	
Cc1cc(Br)cc(C=NNC(=O)C(C)(C)O)c1O	814909816	NXZKWQAGWJFYMQ-UHFFFAOYSA-N	315.167	1.684	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1ccccc1O[C@@H]1CC(=O)N1	817708283	WJYCSJMYCPBAPB-CFYYFVFUSA-N	301.302	1.294	50	20	DDGD	
O=C(NNC(=O)c1snnc1C1CC1)Nc1ccccc1	813573641	MBQACCHWTFBFAW-UHFFFAOYSA-N	303.347	1.882	50	20	DDGD	
Cn1c(Cl)nc(Cl)c1C=NNC(=O)NCC(F)(F)F	814812373	SNWUSPAVWSRZMR-UHFFFAOYSA-N	318.086	1.922	50	20	DDGD	
CCC[C@@H](C)C(=O)NCCNS(=O)(=O)CCCCCl	814285082	DPUSHINWGODBLF-LLVKDONJSA-N	312.863	1.477	50	20	DDGD	
Cc1oc(Br)cc1C(=O)NNC(=O)CC1CC1	819543925	GZFVOPMNOBGKIP-UHFFFAOYSA-N	301.140	1.912	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1c[nH]nc1-c1ccccn1	810179704	XBNXRBZVAWQXJS-UHFFFAOYSA-N	313.239	1.185	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cc(F)c(F)c(F)c2)[nH]1	815857259	VHMAZJDYHVWBMM-UHFFFAOYSA-N	313.235	1.976	50	20	DDGD	
O=C(CCN1CCCCCC1)NN=Cc1cc(CO)ccc1O	814758647	YZJZWCVTNYRWPY-UHFFFAOYSA-N	319.405	1.601	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2c(O)cccc2Cl)c1	728977621	UWYATDSLMDYEKU-UHFFFAOYSA-N	315.716	1.992	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@H](O)c1ccc(Cl)cc1	813377415	BWTVOKKKAQKYPD-GFCCVEGCSA-N	307.737	1.173	50	20	DDGD	
CC(CSC(C)(C)C)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	729637284	JUAOUFLODHBQJT-SNVBAGLBSA-N	321.468	1.380	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCCCC(=O)NC)cc1	490665042	XSSMRKHLTSOOCS-KAMYIIQDSA-N	315.373	1.635	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCOC(C)(C)C2)cn1	491015042	ZFHSYNCNMIATMU-CHJAJTDHSA-N	302.378	1.648	50	20	DDGD	
O=C(NN=Cc1c[nH]c2ccc(-c3nn[nH]n3)cc12)c1ccoc1	823273771	XLEPRCLNYWGKJQ-UHFFFAOYSA-N	321.300	1.705	50	20	DDGD	
CC(=O)Nc1nc(C(=O)NN(C)C(=O)OC(C)(C)C)cs1	496785674	OESOBAXIJFQRQN-UHFFFAOYSA-N	314.367	1.613	50	20	DDGD	
Cc1nc(Br)sc1C(=O)NNC(=O)N(C)C	824627858	ZECVJSRZYYDQSW-UHFFFAOYSA-N	307.173	1.130	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCC[C@]1(O)C[C@H]2CC[C@H]1C2	496906383	FPPWMYDBEVCCOJ-PGUXBMHVSA-N	313.398	1.667	50	20	DDGD	
CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NNc1ncccn1	822395959	CHNNBQHNUSFXPW-NSHDSACASA-N	307.398	1.497	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)CCC(C)(C)[N+](=O)[O-])o1	822854919	XVTAKCHAZLFSLN-UHFFFAOYSA-N	309.326	1.948	50	20	DDGD	
CCCOc1c(CN2CC[C@@H](B(O)O)C2)cccc1OCC	585076731	NWDMNSOKUDAORA-CQSZACIVSA-N	307.199	1.923	50	20	DDGD	
CCc1ccc(Br)cc1C(=O)NN(CC)CCO	823377821	YNHXYITZWBQDMK-UHFFFAOYSA-N	315.211	1.971	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H]1CCN(CC(F)F)C1	491104231	NBHDIUSTWIONNP-WHGQRRHOSA-N	321.327	1.755	50	20	DDGD	
CN(NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C1CC1	496887762	YAUBWCJKVCZHMX-LBPRGKRZSA-N	313.398	1.138	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@H]1CCCC[C@@H]1c1cccnc1	584910779	DIPRBRWOMZRAAK-SJORKVTESA-N	324.189	1.674	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)c1ccc(-c2nn[nH]n2)s1	823281498	TUHFYHWXJBOMII-UHFFFAOYSA-N	322.300	1.963	50	20	DDGD	
O=C(CCCC(=O)c1ccccc1)NNC(=O)[C@H]1CCCCO1	908516345	AUCHIKFKAQSNLX-OAHLLOKOSA-N	318.373	1.756	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2ccc(-c3nn[nH]n3)s2)c1	826387391	SPELXFGIFGWFDZ-UHFFFAOYSA-N	311.330	1.557	50	20	DDGD	
Cc1cccc(-n2ncc(C(=O)NNC(=O)c3ccc[nH]3)c2C)c1	826916577	JFBYYTHCZXIZHB-UHFFFAOYSA-N	323.356	1.892	50	20	DDGD	
C[C@H](COCC(F)(F)F)NC(=O)NNc1ccc(F)cn1	731361637	RDWCEQCBPVQEGR-SSDOTTSWSA-N	310.251	1.814	50	20	DDGD	
CCc1cccnc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	825728581	QQLLTSRTDSWKDD-UHFFFAOYSA-N	309.333	1.581	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](O)c1ccc(Cl)c(Cl)c1	496763106	IVYYLPGFLWNXBD-SECBINFHSA-N	307.133	1.756	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(CC(=O)OC)c(F)c1	491011237	OJCTWBZTSBDRJK-LUAWRHEFSA-N	306.293	1.924	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCC(C)(C)c1ccccc1	825627960	SIEITWFBEIKFIX-TZMCWYRMSA-N	319.405	1.720	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(C(F)(F)F)cnc1O	821784269	YUHDSURAMXQSOS-UHFFFAOYSA-N	306.244	1.112	50	20	DDGD	
C[C@@H](CC(=O)O)C(=O)NNC(=O)c1cn(C)c2ccccc12	827303448	FLHOBTURJQWISI-VIFPVBQESA-N	303.318	1.050	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NNC(=O)C2CCC2)C1	732142341	XDXVCWILBLUKOT-AAEUAGOBSA-N	309.410	1.219	50	20	DDGD	
C[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)[C@@H]2CCCC[C@@H]12	584972766	GUGSFLWEIXCJQP-IFUGULHKSA-N	305.158	1.156	50	20	DDGD	
CSSCCNS(=O)(=O)c1cc(C2CC2)nn1C	907178105	OLMMKCGDTWHMIA-UHFFFAOYSA-N	307.466	1.587	50	20	DDGD	
C[C@@H](Cc1ccc(N(C)C)cc1)NCc1ccccc1B(O)O	585029800	UWGQOPAMOFCHRC-AWEZNQCLSA-N	312.222	1.153	50	20	DDGD	
CC(C)(CNC(=O)[C@]1(C)C[C@H]1Br)S(C)(=O)=O	906906784	KSOLWMRYTCDKSX-GMSGAONNSA-N	312.229	1.099	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NN=C(C)[C@@H]2C[C@H]3CC[C@H]2O3)c1	834965350	NQGDSCNTACNIAW-QLFBSQMISA-N	316.361	1.713	50	20	DDGD	
Cc1cc(C)c(CCNC(=O)c2cccc(B(O)O)c2)c(C)c1	584965866	SQQUWGPRNLYTHJ-UHFFFAOYSA-N	311.190	1.264	50	20	DDGD	
CC1(C)C[C@H]1CNC(=O)NNc1cccc(-c2nn[nH]n2)c1	736212021	VTKXJKHSRNHIAS-JTQLQIEISA-N	301.354	1.539	50	20	DDGD	
CCOc1nc2sccn2c1C=NNC(=O)[C@@H]1CCCCO1	834987343	VQJSFPXJSBNJNZ-NSHDSACASA-N	322.390	1.814	50	20	DDGD	
C[C@@H](NC(=O)c1ccc(B(O)O)cc1)[C@@H]1CCCc2ccccc21	584980485	AVFVSPNJFQUALG-DYVFJYSZSA-N	323.201	1.605	50	20	DDGD	
C[C@H](CNCc1ccc(B(O)O)cc1)Sc1ccccc1	585026586	IBKVSQAZQRGWJJ-CYBMUJFWSA-N	301.220	1.637	50	20	DDGD	
C[C@H]1CC(NNC(=O)C[n+]2ccccc2)=C2C(=O)C=CC(F)=C21	730540149	DMSLUXMCBPLZFZ-NSHDSACASA-O	314.340	1.251	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)C#CC(C)(C)C	837536535	XDYHTZKXHSOQMJ-UHFFFAOYSA-N	324.402	1.591	50	20	DDGD	
CCN1C(=O)C(=NNC(=O)[C@@H]2CCCCO2)c2cc(C)ccc21	834990071	YCKMLERIHZPZEB-AWEZNQCLSA-N	315.373	1.751	50	20	DDGD	
O=C(NN[C@H](C(=O)O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	833149359	NWPHZGWNJDNYHJ-ZDUSSCGKSA-N	315.285	1.655	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](CC(=O)Nc2cccc(B(O)O)c2)CCO1	584913871	KVOXKDAVCDWEGA-WFASDCNBSA-N	305.183	1.146	50	20	DDGD	
COc1cccc([C@@H]2C[C@H]2CNCc2ccc(B(O)O)cc2)c1	585046726	VRMZAPHNYMPJNJ-YJBOKZPZSA-N	311.190	1.268	50	20	DDGD	
O=C(C[C@@H]1CCCc2ccccc21)Nc1cccc(B(O)O)c1	584909251	BNWSVGCALXXTRE-AWEZNQCLSA-N	309.174	1.815	50	20	DDGD	
CC(C)c1ccc(SCC(=O)NNC(=O)c2ncon2)cc1	832825817	IHQUVXQRYPBZFO-UHFFFAOYSA-N	320.374	1.746	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)C2CCC2)cc1C	837314722	HNXXXBSAHGLYFK-GFCCVEGCSA-N	317.389	1.826	50	20	DDGD	
CCC[C@@H](C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	736418878	ICKAYYRWEXNDQR-SECBINFHSA-N	302.338	1.064	50	20	DDGD	
Cc1nnc(NNC(=O)c2c[nH]cc2-c2ccccc2)nc1O	916160069	DNCVHTNQZALFSP-UHFFFAOYSA-N	310.317	1.638	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@H](c2cccs2)C2CC2)cn1	735579110	FPIBWTKWUNEXGT-LBPRGKRZSA-N	319.390	1.577	50	20	DDGD	
O=C(Nc1sccc1C(=O)NNC(=O)C1CC1)c1ccco1	731469982	HGWFWMSWADMGBW-UHFFFAOYSA-N	319.342	1.764	50	20	DDGD	
C#C[C@@H](NS(=O)(=O)c1ccc(CCl)cc1)[C@H]1CCCO1	914391873	NUASURLSJLQMKP-ZIAGYGMSSA-N	313.806	1.885	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(CC)CC(=O)O)cc1	833664146	PGNFQEHHJSHIHU-LCYFTJDESA-N	302.330	1.925	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)c2n[nH]cc2c1	833250607	IWWSAFAORVBQBA-LBPRGKRZSA-N	302.334	1.201	50	20	DDGD	
CO[C@@H](C=NNC(=O)CNc1ccccc1F)C1CCOCC1	834921475	VVRGLXCILAZPGA-HNNXBMFYSA-N	323.368	1.781	50	20	DDGD	
Cc1cccc(CN(C)[C@H](C)C(=O)NNC(=O)CC(C)C)n1	746465626	ZASNMYAKKBHUBY-CYBMUJFWSA-N	306.410	1.404	50	20	DDGD	
CCCOc1ccc(C(C)=NNC(=O)C(=O)N2CCCC2)cc1	748137344	AYHIDDRCORCDOE-UHFFFAOYSA-N	317.389	1.938	50	20	DDGD	
N[C@H]1C[C@@H](C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)C1	843438128	GAYHKUWDWZIUNB-WAAGHKOSSA-N	307.741	1.570	50	20	DDGD	
CC(=NNC(=O)NC(C)C)c1cccc(N2CCOCC2)c1	745009815	ZXINJRLARKDDTC-UHFFFAOYSA-N	304.394	1.955	50	20	DDGD	
CN(C)N(C(=O)C=C(C1CC1)C1CC1)[C@@H]1CCS(=O)(=O)C1	917623023	ZFUYIAHYJHOVNR-CYBMUJFWSA-N	312.435	1.225	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1csc2c1CCCC2	843971443	BETNIWJYUFFRDR-NXEZZACHSA-N	308.403	1.813	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc(-c2ccccc2)[nH]1	843970943	NJWPVQZXOTWIJN-ZYHUDNBSSA-N	314.345	1.263	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCOc2c(F)cccc21	748258848	DEABDNCGIXLCIY-SNVBAGLBSA-N	310.325	1.480	50	20	DDGD	
Cc1ccoc1C=NNC(=O)C(=O)NN=Cc1occc1C	743420814	QNBZTLQQIVXZSO-UHFFFAOYSA-N	302.290	1.090	50	20	DDGD	
CS[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1cnn(C)c1	845334495	NEWRZIDCQDFPEJ-GHMZBOCLSA-N	311.411	1.038	50	20	DDGD	
Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843662412	SNTNFNFHOLATDY-MNOVXSKESA-N	321.333	1.398	50	20	DDGD	
O=C(COc1ccc(Cl)cc1)NN=C1CN2CCC1CC2	915048006	NTYDXJLBFUWPMH-UHFFFAOYSA-N	307.781	1.917	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)CN1CCCC1=O)C1CCCCC1	913731221	ZTAUFSGUAPTJPN-GFCCVEGCSA-N	309.410	1.363	50	20	DDGD	
CN(NC(=O)c1cc2ncc(Br)cn2n1)C1CC1	911296849	QZSBWTBLLLEHTN-UHFFFAOYSA-N	310.155	1.231	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)Nc2cc(C)n(C)n2)cc1	844570301	WYASIVLKOXQEEI-UHFFFAOYSA-N	317.349	1.593	50	20	DDGD	
CO[C@]1(C=NNC(=O)c2cnn(-c3ccccc3)c2)CCOC1	841624003	AMYXELCTRKAFKJ-INIZCTEOSA-N	314.345	1.393	50	20	DDGD	
CC(C[C@H]1CCCC(=O)N1)=NNC(=O)COc1ccc(F)cc1	841612727	NFYPCHSTEITJOJ-CYBMUJFWSA-N	321.352	1.755	50	20	DDGD	
Cc1nc(CCCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cs1	843655506	VUTRYDOXVOTVNC-JOYOIKCWSA-N	311.407	1.347	50	20	DDGD	
CCc1noc(C)c1C(=O)NNC(=O)CCc1ccccc1	749803562	FNIFDOLHOPOIKR-UHFFFAOYSA-N	301.346	1.939	50	20	DDGD	
CCCNC(=O)NNC(=O)c1c(C)n(C)c2ccc(OC)cc12	843776716	RLFMXOFENBVJGA-UHFFFAOYSA-N	318.377	1.849	50	20	DDGD	
COc1cc(C=NNC(=O)Cc2ccncc2)ccc1OCC#N	747641781	JNEDZRYKXFXGBX-UHFFFAOYSA-N	324.340	1.685	50	20	DDGD	
C[C@@H]1COC[C@H]1NC(=O)NNC(=O)c1c[nH]c2ccccc12	925992485	RJBVVZKQEVQJAT-NOZJJQNGSA-N	302.334	1.147	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1Cc2ccccc2S1	843642119	IYIOKXMXOOVQML-GAFUQQFSSA-N	306.387	1.276	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1c(Cl)ccc2c1CCO2	841226283	ZTRJPRNTCUBXHA-UHFFFAOYSA-N	312.757	1.167	50	20	DDGD	
Cc1cc(C)cc(C2(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)CC2)c1	843641248	BGIHMMGUYDGQBD-DZGCQCFKSA-N	316.401	1.907	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)C(=O)NNc1cccnc1Cl	754475840	ZNMNJSJKBJSJDG-UHFFFAOYSA-N	307.741	1.411	50	20	DDGD	
COCCO[C@@H]1CCN(S(=O)(=O)CC(C)(C)CCl)C1	867153041	ZRXQZMVFLZQGOW-LLVKDONJSA-N	313.847	1.319	50	20	DDGD	
CO[C@H]1C[C@@H](NC(=O)NNC(=O)Cc2ccc(F)cc2)C1(C)C	753424471	DKRFDQOKTORXJT-OLZOCXBDSA-N	323.368	1.512	50	20	DDGD	
CC(C)S(=O)(=O)CC(=O)NC[C@@]1(C)C[C@H]1Br	857403555	SSJOTIWRSQWRMM-PSASIEDQSA-N	312.229	1.099	50	20	DDGD	
NS(=O)(=O)c1cc(C(=O)NN=CC2CC2)ccc1Cl	755550402	HGDMVRZVHQHGMS-UHFFFAOYSA-N	301.755	1.113	50	20	DDGD	
CC(C)CC[C@H]1CCC[C@@H]1NC(=O)NNC(=O)c1cn[nH]c1	858183343	CJKXHSALVGJNRY-YPMHNXCESA-N	307.398	1.959	50	20	DDGD	
CNc1nc(C)cc(C(=O)NC[C@]2(C)C[C@@H]2Br)n1	857391695	SMRSGBXQAGOUBQ-CABZTGNLSA-N	313.199	1.730	50	20	DDGD	
C[C@@H]1CN(C[C@@H](C)C(=O)NN=CC2CCOCC2)C[C@@H](C)O1	755588268	OXRKVUGMQCZUCQ-MGPQQGTHSA-N	311.426	1.260	50	20	DDGD	
CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1cc(C)ccc1C	920384153	ISSSADOLJZHROS-ZDUSSCGKSA-N	323.418	1.514	50	20	DDGD	
CC(CCc1ccco1)=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	853388647	POZKZGGKLZJUDU-HIFRSBDPSA-N	305.378	1.568	50	20	DDGD	
CC[C@H](C)n1nc(NC(=O)NNC(=O)c2ccc[nH]2)cc1C	757909283	CRYSTJXSXVQIHT-VIFPVBQESA-N	304.354	1.957	50	20	DDGD	
CC(=O)CC(C)(C)CC(=O)NNC(=O)c1cccc(Cl)n1	857323793	ZAGUMMSMYRYVEJ-UHFFFAOYSA-N	311.769	1.891	50	20	DDGD	
CCc1cc(NC(=O)NNC(=O)c2cccc(C#N)c2)n(C)n1	756590463	CKLWHFDURSWPCN-UHFFFAOYSA-N	312.333	1.321	50	20	DDGD	
Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NNC(=O)CN(C)C	754208425	WNVZVDLRERXZFH-QWHCGFSZSA-N	303.406	1.685	50	20	DDGD	
COCCCNC(=O)NN=Cc1cc(Cl)cc(OC)c1O	758873811	MBJLCFIAWWDQRU-UHFFFAOYSA-N	315.757	1.724	50	20	DDGD	
C[C@H](CN(C)C(=O)NC[C@]1(C)C[C@@H]1Br)C(=O)O	857101088	ROBWAVCKKSOZOK-FYBVGQRMSA-N	307.188	1.522	50	20	DDGD	
Cc1ncoc1CNC(=O)NNC(=O)CCCc1ccccc1	923806286	IVUZUJAWOHKGCG-UHFFFAOYSA-N	316.361	1.836	50	20	DDGD	
CCCc1cnc(NC(=O)NNC(=O)c2c[nH]nc2C)s1	757926757	ZEBVMULCZHCEDG-UHFFFAOYSA-N	308.367	1.594	50	20	DDGD	
CC1(C)C[C@H](C(=O)NNC(=O)c2cc[nH]n2)c2ccccc2O1	855354819	JMQOYDAAKYHALZ-NSHDSACASA-N	314.345	1.516	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cccc([C@@H](C)N2CCOCC2)c1	756425238	YPQQFRRVXNONKG-GFCCVEGCSA-N	320.393	1.643	50	20	DDGD	
CC1(C)C(=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)[C@@H]2CCCO[C@H]21	853388484	INYNBBPIKWACAZ-UKTARXLSSA-N	321.421	1.157	50	20	DDGD	
COCC(=NNC(=O)C1CCN(c2ncccn2)CC1)C1CC1	754260934	SWDFQNSDZRIYEF-UHFFFAOYSA-N	317.393	1.222	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc(-c2cnco2)c1	855007206	TYROGRVMVQYFPX-GXFFZTMASA-N	315.329	1.528	50	20	DDGD	
O=C(CC[C@@H]1CC1(Cl)Cl)NNC(=O)c1cccnc1	854146642	XZLHDUBZXGWSEP-SECBINFHSA-N	302.161	1.817	50	20	DDGD	
CCNC(=O)NNC(=O)c1cccc(OCCCOC)c1C	930731488	BKTGPFGBIHZHEB-UHFFFAOYSA-N	309.366	1.374	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(C)cc(C(=O)OC)c1	933033323	SYGRKSPCZQJCOR-UHFFFAOYSA-N	308.338	1.479	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@]2(C)CCOC2)c1C	754358829	PBFAKBYFBTTYNJ-CXAGYDPISA-N	320.389	1.645	50	20	DDGD	
COCCN(C)CCCNC(=O)NNc1ccc(C)c(F)c1	853408990	FUNMMLMHTIAGMX-UHFFFAOYSA-N	312.389	1.729	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@H]1CCN(C2CCCCC2)C1	852084085	PVLFHZGBDLSDTJ-LBPRGKRZSA-N	310.442	1.770	50	20	DDGD	
CCCn1nc(C(=O)NN=Cc2cnc[nH]2)c2ccccc2c1=O	755547310	WYXCYQDUNSSLIE-UHFFFAOYSA-N	324.344	1.294	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C1(F)CCOCC1)c1ccccc1	865696024	SUIPVWURQWCTQB-CYBMUJFWSA-N	308.353	1.846	50	20	DDGD	
C[C@@H](NNC(=O)CCc1ccc(C(N)=O)cc1)C(F)(F)F	862320577	LMHITRQDHIKKEG-MRVPVSSYSA-N	303.284	1.290	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNCC(F)(F)C(F)(F)F)CCC1=O	863098029	YEAHROIQDLMKAJ-RNFRBKRXSA-N	302.243	1.810	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)/C=C\CCc1ccccc1	869068901	XDBGPSSUXVMJBC-AZJJPVTCSA-N	302.374	1.748	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N[C@@H](C)Cc1cccnc1	934233843	LEMMLDRGWSMRHB-STQMWFEESA-N	306.410	1.184	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](C(=O)NNC(=O)N=c2cc[nH]cc2)CCO1	935858391	WXNUPLPSKAAWON-AAEUAGOBSA-N	306.366	1.107	50	20	DDGD	
CN(C)CC(=O)NN=Cc1ccc(F)cc1Br	767783810	XXQYVDKJAYDZFA-UHFFFAOYSA-N	302.147	1.600	50	20	DDGD	
CC(=O)N[C@H](CC(C)C)C(=O)NNc1cc(C#N)cc(Cl)n1	860526667	MRBZIMVGDHAKMS-LLVKDONJSA-N	323.784	1.601	50	20	DDGD	
C[C@@H]1Cc2cc(NC(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)ccc2O1	933141112	IZZUWGIHSPINFG-GIPNMCIBSA-N	319.361	1.588	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2cn(C3CC3)nn2)ccc1F	861924282	ITRVOSZXTJAAMK-UHFFFAOYSA-N	319.296	1.296	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNCC(F)(F)C(F)(F)F)C(C)(C)C	863101821	IVLXBSOUBWLFOD-SSDOTTSWSA-N	319.274	1.356	50	20	DDGD	
COc1ccc2oc(C=NNC(=O)C(=O)N3CCCC3)cc2c1	763362382	IMHHHSDMVISMAE-UHFFFAOYSA-N	315.329	1.514	50	20	DDGD	
COc1ccc2nc(C=NNC(=O)[C@@H]3CCC(=O)N3)sc2c1	863152956	JQUNDNCMGDSWHN-JTQLQIEISA-N	318.358	1.034	50	20	DDGD	
CC[C@H](C)n1ncc(C(=O)NNC(=O)c2cn[nH]c2)c1C1CC1	862472656	PTZDMMWEKBUMPE-VIFPVBQESA-N	316.365	1.529	50	20	DDGD	
COCc1ccc(C=NNC(=O)COc2ccccc2C#N)o1	764661302	XHNMLEGHFGYXJY-UHFFFAOYSA-N	313.313	1.827	50	20	DDGD	
Cc1sc(Cl)nc1C(=O)NNc1ccnc(N(C)C)n1	762871544	GGUUDYHQJDGHPI-UHFFFAOYSA-N	312.786	1.718	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccccc1-c1nnc(C)o1	765277776	WDRUAEVKQMDTKW-UHFFFAOYSA-N	303.322	1.399	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@@H]1CCN(C2CCCCC2)C1=O	764414586	WIWBRJZNNBHQRW-XMXAVACDSA-N	305.378	1.480	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNc1ccnc(N(C)C)n1	764326760	RSGQTBUKEAGCRJ-SECBINFHSA-N	317.397	1.519	50	20	DDGD	
O=C(NNc1ncccn1)N[C@@H]1COc2ccc(Cl)cc21	762353581	GANZJURGZUBASF-SNVBAGLBSA-N	305.725	1.890	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)COCCOC)c(C)c1	872400721	ZKDUBOFVOCUAEI-UHFFFAOYSA-N	308.378	1.897	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1nncn1Cc1ccccc1	872385027	ZNVHDVNXFQCSDB-TZMCWYRMSA-N	313.361	1.202	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc2cccc(F)c2o1	772153680	GWQSUIVTPDPFEE-QMMMGPOBSA-N	322.292	1.675	50	20	DDGD	
CS[C@H](C)CC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	772214768	SXOBTWIGMDZGKG-NXEZZACHSA-N	304.412	1.253	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1	875027798	HQFODROUFQWYEK-NTZNESFSSA-N	305.382	1.713	50	20	DDGD	
CNC(=S)N(C)NC(=O)CSc1nc2ccccc2[nH]1	1118713431	NGGZQWDLUPJPCO-UHFFFAOYSA-N	309.420	1.122	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1	875004611	BTJDNMDUSNXHHT-CYBMUJFWSA-N	306.366	1.173	50	20	DDGD	
COc1nc(O)cc(C(=O)OC[C@H](C)CBr)n1	770516886	HJLVNUPEHDIMSV-ZCFIWIBFSA-N	305.128	1.379	50	20	DDGD	
O=C(NNc1ccccn1)c1ccc(N2CCC(O)CC2)cc1	777472617	SVFHDMWIBPUMFC-UHFFFAOYSA-N	312.373	1.800	50	20	DDGD	
CC(=NNC(=O)c1ccccc1C)C1CCS(=O)(=O)CC1	777431051	VPHKLMMNGGWDCJ-UHFFFAOYSA-N	308.403	1.926	50	20	DDGD	
CC(C)[C@]1(C)C[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)OCO2	772850924	QCJIXLJCUPAIMV-BZNIZROVSA-N	304.346	1.859	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2	771894912	SRUPQBNETYNRQG-XUXIUFHCSA-N	324.421	1.938	50	20	DDGD	
NCCCc1cn([C@@]2(Cl)C[C@@H]2CCBr)nn1	881381539	BNWRRGFIMHDZJW-WPRPVWTQSA-N	307.623	1.866	50	20	DDGD	
CS[C@@H](C)CCC(=O)NNC(=O)Cc1cn2ccccc2n1	773315592	KKQZZVQJMPJFEO-NSHDSACASA-N	320.418	1.556	50	20	DDGD	
C[C@H]1COCCCN1C(=O)NNC(=O)c1cc2ccccc2o1	773032877	OYGPZAVHKPCNSI-NSHDSACASA-N	317.345	1.898	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2ccnc(N(C)C)n2)cc(O)n1	775607201	HSRFOZFCNOMILD-UHFFFAOYSA-N	316.365	1.524	50	20	DDGD	
N[C@H]1CCCN(Cc2cn(/C=C\CBr)nn2)C1	887442416	FTHFLRQEHCJMMW-RILPQGNRSA-N	300.204	1.067	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CSCCS2)cc1O	882048910	HMKKMTBCIXCKJT-LLVKDONJSA-N	312.416	1.310	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccc(Oc2ccccc2F)nc1	786205275	LSYAUYSPUKUDPM-UHFFFAOYSA-N	320.280	1.158	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](C)Oc1ccc2c(c1)CCC2	780705723	FIVVQQSJSUASMP-NSHDSACASA-N	305.378	1.635	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc2c(C)nn(C)c2s1	887140590	LHRGPIZVGJBUKC-UHFFFAOYSA-N	304.375	1.508	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)Nc2ccc(C3CC3)nn2)n1	789154677	VEAIUSUGZYZTNG-UHFFFAOYSA-N	320.744	1.528	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H](C)Cc2ccncc2)nc1	781003943	IEKCBHMDFWYPOS-NSHDSACASA-N	301.350	1.743	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1ccc(-n2ccnc2C)cc1	785457936	KNGFCBZVGNVKQN-UHFFFAOYSA-N	300.362	1.792	50	20	DDGD	
CC(=O)c1cccc(NC(=O)C(=O)NN(C)c2ccccc2)c1	783434281	HCTGGOSYQOJUIH-UHFFFAOYSA-N	311.341	1.995	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cccc(Cn2cncn2)c1	782564343	WXPBZHZWGXCPIA-UHFFFAOYSA-N	302.338	1.135	50	20	DDGD	
Cc1nn(C(C)(C)C)cc1C(=O)NNC(=S)NCC1CCC1	784641177	UTFHZFGABPOWKQ-UHFFFAOYSA-N	323.466	1.856	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cccnc2Cl)nc1	782140293	GUOYRFDPBURBGJ-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
COc1ccc(NNC(=O)Nc2ccc(C(N)=O)c(F)c2)nc1	782032843	BCFVWEGGDGHWOV-UHFFFAOYSA-N	319.296	1.477	50	20	DDGD	
Cn1ncc(NC(=O)NNC(=O)C2CCC2)c1C(F)(F)F	782104552	QTLMJZGSSFHBES-UHFFFAOYSA-N	305.260	1.392	50	20	DDGD	
COc1ccc(NC(=O)NNc2ncncc2Cl)c(OC)n1	782035620	KQZFLSZJPOOICR-UHFFFAOYSA-N	324.728	1.691	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C/c1cccc(C(=O)N(C)C)c1	899341930	NASLZSAIFRISLS-KMHUVPDISA-N	315.373	1.446	50	20	DDGD	
CN(C)C(=O)c1cccc(/C=C(\C#N)S(=O)(=O)NC2CC2)c1	899369256	SOFOGDXEONSGHP-NTEUORMPSA-N	319.386	1.335	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CN2[C@@H](C)CC[C@H]2C)c1	781036877	AFBMNJYKRDDOAD-TXEJJXNPSA-N	305.378	1.789	50	20	DDGD	
O=C(NCc1nccn1C(F)F)NNc1ncncc1Cl	780999223	BDZFIZXOLAIGPK-UHFFFAOYSA-N	317.687	1.548	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)no1	895508229	DIIGXIJYXWIZSQ-SECBINFHSA-N	321.308	1.605	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CNc2ccc(C#N)cc2)c1	780797156	SYWPVOKEDDTSHF-UHFFFAOYSA-N	324.340	1.900	50	20	DDGD	
CCn1nccc1NC(=O)C(=O)NNc1c(C)cc(C)cc1C	783369927	QBUQKCVMYOMVCV-UHFFFAOYSA-N	315.377	1.910	50	20	DDGD	
CCC(CC)[C@@H](C(=O)N1CC=C(C#N)CC1)N1CCOCC1	780690005	OPDHSLYXUDEBOV-INIZCTEOSA-N	305.422	1.806	50	20	DDGD	
CC[C@@H](C)CC[C@H](O)CC(=O)NNC(=S)NCCSC	793763969	DLNOINADMPQIQH-MNOVXSKESA-N	321.512	1.422	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C[C@H](CC#N)c2ccccc2)n[nH]1	793747779	ANCOINUXFNDBKF-ZDUSSCGKSA-N	311.345	1.567	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccccc1-n1cccn1	798304343	JRYUQGQFVYZFNB-UHFFFAOYSA-N	301.375	1.167	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc(C)nc3[nH]nc(C)c23)n1	794086177	QOKFYGNVBWMPSB-UHFFFAOYSA-N	324.344	1.353	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2csc([N+](=O)[O-])c2)n1	794077538	QVXLWTVETUWIRR-UHFFFAOYSA-N	306.303	1.435	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)Cc1ncccc1F	792015728	FHYLHDRVUQBYDK-UHFFFAOYSA-N	321.283	1.129	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)CCn1cnccc1=O	796756039	INGKEXMACBNBMC-UHFFFAOYSA-N	317.301	1.764	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)c2cc(C)[nH]n2)[nH]c1C	799483922	XHNZOOBRPPMTOQ-UHFFFAOYSA-N	303.322	1.295	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1cnn(C[C@@H]2CCCO2)c1	792314494	RIIPERLZPDLDMP-ZDUSSCGKSA-N	316.365	1.914	50	20	DDGD	
COc1cccc(OCCC(=O)NNC(=S)NC(C)C)c1	1324401803	ZGVWBWAFICKNOG-UHFFFAOYSA-N	311.407	1.368	50	20	DDGD	
O=C(NN=C1COc2ccc(F)cc21)c1n[nH]c2c1CCCC2	1323675637	RHRKWBQNCXUEIL-UHFFFAOYSA-N	314.320	1.954	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNc1cccc(S(C)(=O)=O)c1	1320660209	MPLMOIPPEBRQMS-UHFFFAOYSA-N	322.390	1.197	50	20	DDGD	
CCSCCCNC(=O)NNC(=O)c1ccc(OC)cc1	1321384364	RIPRVAGIEAZGLL-UHFFFAOYSA-N	311.407	1.782	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H](C)OC2CCCCC2)n[nH]1	1329527858	XVGCQILMZWFFGW-NSHDSACASA-N	308.382	1.146	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@@H]1CCCCO1)c1ccc(F)c(F)c1	1324453955	MTVCBKINTMZUGS-ZANVPECISA-N	312.316	1.785	50	20	DDGD	
C=C(C)CCC(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1	1336434456	QFXAHANDKOSEGA-UHFFFAOYSA-N	323.780	1.460	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCOC(C)(C)C2)cc1	1336801637	ODRSDYVTGJKMSN-ZDUSSCGKSA-N	320.389	1.726	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H](C)c1ccc(F)cc1Cl	1344555769	YJMZNOFKBFCGOR-LURJTMIESA-N	317.704	1.044	50	20	DDGD	
CC1=NO[C@](C)(C(=O)NNc2ccccc2S(C)(=O)=O)C1	1346919284	BLLJMRUYXFTCTJ-ZDUSSCGKSA-N	311.363	1.088	50	20	DDGD	
CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NNc1ccn(C)n1	1348603882	FZKOMEDZXGLFJT-NSHDSACASA-N	309.414	1.440	50	20	DDGD	
CCN1CCN(CC(=O)NNC(=O)C(C)C)c2ccccc21	1347839307	GFCTWHWZYKDGHI-UHFFFAOYSA-N	304.394	1.136	50	20	DDGD	
CC(C)(C)n1nnc(C=NNC(=O)c2ccccc2Cl)n1	1261650786	ULVRJWZXPIUIAS-UHFFFAOYSA-N	306.757	1.845	50	20	DDGD	
CN1C[C@@H](NC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)CC1=O	1353203957	RRDWPSWHJHFCDK-AVWBDOJWSA-N	315.211	1.287	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NC[C@H](C)N1CCN(C)CC1	1352219015	IENGARJDOZTOHO-ZDUSSCGKSA-N	323.416	1.396	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2nccnc2C2CCC2)nc1	1602324203	GIGQOUZHAKVPOH-UHFFFAOYSA-N	313.317	1.594	50	20	DDGD	
Cc1ccc(S(=O)(=O)NCCCSC#N)c(C(=O)O)c1	1607820849	KRAVTKDOHGPCHK-UHFFFAOYSA-N	314.388	1.576	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2Cc3ccccc3S2)nc1	1608904173	KROGGFKCPIVGEK-LBPRGKRZSA-N	315.354	1.940	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2c[nH]nc2-c2ccccc2)nc1	1608904598	ZPEDJZDUEQPDBF-UHFFFAOYSA-N	323.312	1.927	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@H]2CCCc3n[nH]cc32)ccc1F	1608856803	QUDNDFLFZFXCCW-VIFPVBQESA-N	318.308	1.810	50	20	DDGD	
Cc1noc(C)c1CCC(=O)NNc1ccc(CC(=O)O)cc1	1600807083	JXLCFQSHBDTLDY-UHFFFAOYSA-N	317.345	1.994	50	20	DDGD	
O=C(Cn1cc(C(=O)O)cn1)NNc1cc(F)cc(F)c1F	1601379453	RPVBFGUDYMKGFS-UHFFFAOYSA-N	314.223	1.142	50	20	DDGD	
Cc1cc(OS(=O)(=O)CCCCl)ccc1-c1nn[nH]n1	1605750512	YFBQBUUXBUODPC-UHFFFAOYSA-N	316.770	1.513	50	20	DDGD	
O=C(CN1CCN(C(=O)C2CCC(Cl)CC2)CC1)C1CC1	1548647628	LDEFZHZYOLHCRQ-UHFFFAOYSA-N	312.841	1.907	50	20	DDGD	
O=C(CCOc1ccc(F)cc1)NNc1ccc(C(=O)O)cn1	1610658286	WUBZWYWDCBOSOG-UHFFFAOYSA-N	319.292	1.831	50	20	DDGD	
CCc1noc(CCCC(=O)NNc2ccc(C(=O)O)cn2)n1	1610077808	LZSUEOFOYNFNES-UHFFFAOYSA-N	319.321	1.191	50	20	DDGD	
CC(=NNC(=O)C(=O)O)c1csc(-c2ccccc2F)n1	1589011193	SOBOBWBCIXQTQD-UHFFFAOYSA-N	307.306	1.874	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1CC2	1590233777	ZNGWWOIIDQBKHY-MMWGEVLESA-N	310.350	1.455	50	20	DDGD	
CC(=NNC(=O)c1ccc(O)nc1)c1ccc(CC(=O)O)cc1	1776094115	BTCZRBWIRCLKQI-UHFFFAOYSA-N	313.313	1.568	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(N)=O)c1C	5674439	RJQLUFLHADGNIE-ACLQVGRQSA-N	319.361	1.075	50	20	DDGD	
Cc1ccc2cc(C(=O)NNC(=O)c3c[nH]nc3C)ccc2n1	161795680	KDRQFRANOVOYCK-UHFFFAOYSA-N	309.329	1.650	50	20	DDGD	
CNC(=O)NNC(=O)[C@H](C)c1ccc(Br)cc1	152307260	PHGSPUOYYPBLBO-SSDOTTSWSA-N	300.156	1.513	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(C(N)=O)nn2)ccc1Cl	152558146	GOLOZWHUIKXAQU-UHFFFAOYSA-N	305.725	1.294	50	20	DDGD	
CCSc1ccc(C(=O)NNC(=O)c2cc(C)n[nH]2)cn1	153192403	GSTVGCVZNCFCTI-UHFFFAOYSA-N	305.363	1.300	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(C(C)C)nc1	153547270	DWHDRLSNIBGGEN-UHFFFAOYSA-N	320.393	1.271	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc2c(c1)CCC2	156103553	WBRMEWYKRWDVPH-UHFFFAOYSA-N	317.389	1.241	50	20	DDGD	
CCc1ccccc1C(=O)NNC(=O)C(=O)NC(CC)CC	153958211	QANWPLNFDLJBTK-UHFFFAOYSA-N	305.378	1.315	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)CCc2c[nH]c3ccccc23)nn1	154406538	CRLOUCWLLUTSBZ-UHFFFAOYSA-N	324.344	1.133	50	20	DDGD	
COc1ccc(NNC(=O)c2ccnc(OCC(F)F)c2)nc1	159416253	OZBZNYGZLOJZMX-UHFFFAOYSA-N	324.287	1.886	50	20	DDGD	
COc1ccc(NNC(=O)CCn2cc([N+](=O)[O-])nc2C)nc1	159310079	VWRKFAKXMSKSOF-UHFFFAOYSA-N	320.309	1.037	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)C(=O)Nc1ccc(F)cc1	159517983	ONXVZDOZSJLFER-UHFFFAOYSA-N	301.277	1.225	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)Nc1nnc2ccccn12	159793066	DAMVMOCXGHXWIQ-UHFFFAOYSA-N	320.316	1.821	50	20	DDGD	
O=S(=O)(CCCCl)NCCc1ccc2c(c1)OCCO2	36881468	YHUQLVKCXJDEGE-UHFFFAOYSA-N	319.810	1.549	50	20	DDGD	
COCCOC[C@H]1CCN(CCI)C1	190917442	LLCYFFSGVYTCIJ-JTQLQIEISA-N	313.179	1.406	50	20	DDGD	
O=C(O)CCC(=O)NNC(=O)c1cc2ccccc2cc1O	3098079	FYOGCIAVAUYOCV-UHFFFAOYSA-N	302.286	1.171	50	20	DDGD	
COc1ccc(C(=O)NNS(=O)(=O)c2cccs2)cc1	6895952	REZOBIGCPARNRN-UHFFFAOYSA-N	312.372	1.380	50	20	DDGD	
CS[C@@H](C)C(=O)NNC(=O)c1cccc(OC(F)F)c1	103041411	PWTDRDVXNOWJBC-ZETCQYMHSA-N	304.318	1.801	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cccnc2Cl)c1	103403192	UWSAPLLTDFGNAJ-UHFFFAOYSA-N	300.705	1.681	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)c1ccccc1	117956330	NBIJDXSIEVKAKB-CQSZACIVSA-N	315.377	1.761	50	20	DDGD	
Cc1cccc2nc(CNC(=O)NNC(=O)C(C)(C)C)cn12	171742205	USZJEWONIKIZNL-UHFFFAOYSA-N	303.366	1.519	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(Cl)ccc2O)n1	175389492	HSTHJDZPBXVMJP-UHFFFAOYSA-N	308.725	1.910	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2cccc(C#N)c2)c1	28581066	MTWAIZRDQIOZDM-UHFFFAOYSA-N	309.325	1.707	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H](C)SCc1ccccc1	119932360	CGUAEEZWHZYBKJ-NSHDSACASA-N	309.460	1.990	50	20	DDGD	
C[C@H](CCN(C)C)NC(=O)NNC(=O)c1ccc(Cl)cc1	62506515	JFYFIZVSRXWTAD-SNVBAGLBSA-N	312.801	1.624	50	20	DDGD	
CCN(CC)[C@H]1CCN(C(=O)NNC(=O)c2ccccc2)C1	174778344	MGNXTEWKGPXVCA-AWEZNQCLSA-N	304.394	1.457	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1cccc2cccnc12	65797816	OHSNHKIKWJXVLT-LBPRGKRZSA-N	300.318	1.567	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)cn1	172274322	OQAUXVIPQVUFAT-HSMVNMDESA-N	319.409	1.579	50	20	DDGD	
Cc1cccc(S(=O)(=O)NNC(=O)OC(C)(C)C)c1F	184891728	ICCDFXSYYLOCES-UHFFFAOYSA-N	304.343	1.852	50	20	DDGD	
CCNC(=O)NNC(=O)CCc1ccc(OC(F)F)cc1	122906598	VSXJUBSGXORVAU-UHFFFAOYSA-N	301.293	1.571	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)NC2CCCC2)cc1	31025465	GQKGDPXKKIVWKC-UHFFFAOYSA-N	302.334	1.210	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cc(C(C)C)no1	70860748	LFMOJFNXFYFHLZ-UHFFFAOYSA-N	303.318	1.881	50	20	DDGD	
CC[C@@H](C)[C@H](C)C(=O)NNC(=O)CNc1ccc(OC)cc1	182971910	ICFVUINACBQEAW-NEPJUHHUSA-N	307.394	1.937	50	20	DDGD	
COC(=O)N1CC(NC(=O)NNc2c(F)cccc2Cl)C1	185573782	RKSDDDWYDUTOAI-UHFFFAOYSA-N	316.720	1.556	50	20	DDGD	
Cc1cccc(NNC(=O)CNC(=O)Cc2cccc(F)c2)c1	78934241	ODECAZCZNQDOLC-UHFFFAOYSA-N	315.348	1.936	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNc2nccn(C)c2=O)cc1	122319075	CUSKMLJAGLZQRN-LLVKDONJSA-N	316.361	1.111	50	20	DDGD	
O=C1Cc2cc(NC(=O)C(=O)NNc3ccccc3)ccc2N1	185224890	WEAVVTZSZOXEPV-UHFFFAOYSA-N	310.313	1.263	50	20	DDGD	
CC#CCCCC(=O)NNC(=O)COc1ccccc1CC	186361487	QBRMDGKBODFGTR-UHFFFAOYSA-N	302.374	1.969	50	20	DDGD	
C[C@@H]1CCC[C@@H](CC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)C1	76710593	LWAWHAMPIPTTIR-MGPQQGTHSA-N	316.467	1.695	50	20	DDGD	
CCNc1ncc(C(=O)NNc2nc(C)cc(OC)n2)s1	129519364	ANEIMCNZNSFSEH-UHFFFAOYSA-N	308.367	1.439	50	20	DDGD	
O=C(NNC(=O)c1cccc2ncccc12)N[C@H]1CCSC1	75464543	OFNYYLLXLJXQGK-JTQLQIEISA-N	316.386	1.684	50	20	DDGD	
Cc1cc(NNC(=O)CSC[C@H]2CCCCO2)nc(C)n1	128845956	GLPKJSLNDNJJAR-GFCCVEGCSA-N	310.423	1.839	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)NCC(F)(F)F)s1	48832033	HXFYBJDIJSOOIZ-UHFFFAOYSA-N	309.269	1.457	50	20	DDGD	
O=C(COC1CCCCC1)NNc1nc2ccccc2c(=O)[nH]1	137240952	FTXARLJRKUZAGK-UHFFFAOYSA-N	316.361	1.716	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)Cc2ccccc2F)cc(=O)[nH]1	181728676	ISOOWUSXIHWYPN-UHFFFAOYSA-N	317.320	1.080	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CCC(=O)NNc1cccnc1Cl	85685618	NVCWRKAGKAUWSQ-UHFFFAOYSA-N	324.728	1.682	50	20	DDGD	
CC(=O)N(C)CC(=O)NNc1ccc(OC(F)(F)F)cc1	134261558	SLKHZAKLJQEBHO-UHFFFAOYSA-N	305.256	1.507	50	20	DDGD	
CC(C)(C(=O)NNC(=O)Cc1ccncc1)c1cccc(F)c1	81028558	ASIHBMCSFZATOU-UHFFFAOYSA-N	315.348	1.888	50	20	DDGD	
Cc1cc(C)n2nc(C)c(C(=O)NNC(=O)OC(C)(C)C)c2n1	193473233	VXABMHRHOPQDLZ-UHFFFAOYSA-N	319.365	1.824	50	20	DDGD	
CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NN)cc1	195519550	BJJMNMJSPVBZAE-UHFFFAOYSA-N	311.407	1.243	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCc2ccncc2)cc1	192909765	RDPZRWGKECNQNM-UHFFFAOYSA-N	314.345	1.299	50	20	DDGD	
O=C(NCCCN1CCCCC1)NNc1cncc(Cl)n1	192946506	MESNTNSAPBXIDJ-UHFFFAOYSA-N	312.805	1.632	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCCOCC(F)(F)F)n1	193557707	ODKHGDUEOKCUCC-UHFFFAOYSA-N	321.303	1.689	50	20	DDGD	
O=C(NC[C@H]1Cc2ccccc21)NNc1nc2ccccn2n1	191498720	QTOXHLXEPHOUHU-GFCCVEGCSA-N	308.345	1.695	50	20	DDGD	
Cc1ccc(F)cc1NC(=O)C(=O)NNc1ccnc(F)c1	190304683	RZQMVIFFGJVDGZ-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
CCCCCNC(=O)NNC(=O)Cc1nc2ccccc2n1C	43629668	ZKJNKOGAASVWOL-UHFFFAOYSA-N	317.393	1.636	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)Nc1ccc2c(c1)COC2	190095690	WGPLKPMPTWDOOC-UHFFFAOYSA-N	310.317	1.908	50	20	DDGD	
CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NNC(=O)C(C)C	96965334	UISYSUOMZQQTCR-HNNXBMFYSA-N	317.389	1.326	50	20	DDGD	
CC(C)(C)n1nc(C(=O)NNC(=O)c2ccc[nH]2)cc1C1CC1	97464466	QGRGJAQNHKWXOB-UHFFFAOYSA-N	315.377	1.918	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1cc(OC)c(OC)cc1OC	269464686	INMPSWDXSTUMLA-ZRDIBKRKSA-N	320.345	1.773	50	20	DDGD	
CC(C)c1nc(CCNC(=O)NNC(=O)C2CCC2)cs1	264717489	KLURELPBEWEXCI-UHFFFAOYSA-N	310.423	1.940	50	20	DDGD	
COCCN1CCC(NC(=O)NN(C)c2ccccc2)CC1	267894686	IESAZSIHWYMWFK-UHFFFAOYSA-N	306.410	1.448	50	20	DDGD	
COc1ccc(NNC(=O)C2CCN(C(=O)N(C)C)CC2)cc1	264065996	AQPJPZZOXNMSPW-UHFFFAOYSA-N	320.393	1.532	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cc2ccccc2o1)[C@H]1CCOC1	267334322	FYSZRRCRJXVOSM-PWSUYJOCSA-N	317.345	1.802	50	20	DDGD	
COc1ccc(Cn2cc(C(=O)NNC(=O)C3CC3)cn2)cc1	264594186	RTBGPUXAKFQQTI-UHFFFAOYSA-N	314.345	1.111	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC2CCCC2)c2n[nH]cc2c1	263786564	HQGHCKYDSOPQRW-UHFFFAOYSA-N	301.350	1.758	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCNc2ccccc2C)[nH]n1	270673500	PEAPTCBXWQNTCA-UHFFFAOYSA-N	301.350	1.290	50	20	DDGD	
COC1(C(=O)NNC(=O)c2cc3ccccc3cc2O)CCC1	272823808	FRTLOQWDVQBAJB-UHFFFAOYSA-N	314.341	1.876	50	20	DDGD	
CO[C@@H]1CCC[C@H](CC(=O)NNC(=O)c2cccc(C)n2)C1	279795765	LCDPUBGDZBLWTJ-QWHCGFSZSA-N	305.378	1.746	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)CC(C)(C)O)cc1OC	279325006	AHAIUWUFMORYPV-UHFFFAOYSA-N	310.350	1.016	50	20	DDGD	
COc1cccc2c1OC[C@H](NC(=O)NNc1cccnn1)C2	369512988	LNKLIVQBYQIHDS-LLVKDONJSA-N	315.333	1.115	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccccc1OC(C)C	274022290	ARPSHMKBTMPBSY-LLVKDONJSA-N	321.377	1.606	50	20	DDGD	
C[C@@H]1C[C@@H](CNC(=O)NNC(=O)c2ccccc2F)CCO1	271656838	LSMFERGWEGSHFD-MNOVXSKESA-N	309.341	1.585	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)C1SCCS1	270880389	PGFKOOSQUGLZAS-UHFFFAOYSA-N	310.326	1.745	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2nc(C(C)C)c(C)s2)[nH]n1	279394101	HMBBAUPNGVDCFJ-UHFFFAOYSA-N	321.406	1.610	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc([S@](C)=O)c(F)c1	273450619	FUTZMXZVKIBURD-NRFANRHFSA-N	315.370	1.762	50	20	DDGD	
Cc1cc2c(cc1S(=O)(=O)NNC(=O)CC(C)C)OCO2	281166739	PPCYKMFGBVFWPA-UHFFFAOYSA-N	314.363	1.079	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)cn1	281849072	BCRMMKPOSQUJSL-YGOYTEALSA-N	324.406	1.221	50	20	DDGD	
COCC1(C(=O)NNC(=O)CNc2ccccc2OC)CCC1	286907667	AAZNHVPKXFHVQQ-UHFFFAOYSA-N	321.377	1.071	50	20	DDGD	
C[C@H]1OCC[C@]12CN(CCI)CCO2	375916605	BOGOEQBFJGXDQE-ZJUUUORDSA-N	311.163	1.301	50	20	DDGD	
CCC[C@@H](CC)NC(=O)NNc1ccc(-n2ccnc2)nn1	288257775	TWPRLMFENCOCQR-LLVKDONJSA-N	303.370	1.867	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C[C@H](C)CC(=O)OC)c1ccccc1	289518263	AZSBLAJUHMIBDE-GXTWGEPZSA-N	320.389	1.917	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2=CCCCCC2)cc1	282960622	UQYCEZSZKMNOJS-UHFFFAOYSA-N	315.373	1.971	50	20	DDGD	
CC(C)C(=O)N1CCCC[C@H]1C(=O)NNc1ncccc1F	285816283	BJVQXRPNAQNBOB-LBPRGKRZSA-N	308.357	1.701	50	20	DDGD	
COCCN(C)NC(=O)Cc1ccc(C)c(Br)c1	288506968	UWJMGPFONWECFN-UHFFFAOYSA-N	315.211	1.909	50	20	DDGD	
COc1ccc2nc(NNC(=O)CCCC(N)=O)c(C)cc2c1	280315525	RMQVUBOCMGNWKY-UHFFFAOYSA-N	316.361	1.651	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnc(C3CC3)nc2N)s1	287546148	NXZPEOBCPCJVID-UHFFFAOYSA-N	317.374	1.381	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)[C@@H]2CCCCO2)c1	295263382	BGTRLOQELQBJOY-LBPRGKRZSA-N	307.306	1.233	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)[C@@H]2CCCCO2)ccc1F	297786910	MMDUJZWIHDLWSD-NSHDSACASA-N	311.313	1.556	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1ccc(-n2cncn2)nc1	808247721	MHKNBBILGYCBMR-UHFFFAOYSA-N	300.149	1.538	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNc1ccccc1C(=O)OC	809750344	YOXQYTBTVUIMKH-JTQLQIEISA-N	308.334	1.506	50	20	DDGD	
NC(=O)C[C@H](NS(=O)(=O)CCCCCl)c1ccccc1	293781726	LVTMZAHLWMJUKX-LBPRGKRZSA-N	318.826	1.542	50	20	DDGD	
CCc1ccc(CCNC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	296356033	JAJUHTUHFYJJSG-HNNXBMFYSA-N	319.405	1.691	50	20	DDGD	
O=C(NNc1ncccc1F)c1coc(C2CCOCC2)n1	804218308	REUQYFKVXBLZIV-UHFFFAOYSA-N	306.297	1.860	50	20	DDGD	
CN(C)c1cccc(CCC(=O)NNC(=O)[C@@H]2CCCCO2)c1	295396424	LYUGNCPBVQTSJH-HNNXBMFYSA-N	319.405	1.402	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2cc3c(s2)CCC3)SCCO1	806342903	UWOZVDZBJJTCKB-UHFFFAOYSA-N	324.427	1.993	50	20	DDGD	
C[C@H]1CC(=O)CC[C@H]1C(=O)NNc1ccc2c(=O)[nH]ccc2c1	803436244	XIEMIDRTQUYXAJ-IINYFYTJSA-N	313.357	1.977	50	20	DDGD	
CCC[C@@H](CNC(=O)NNc1ccc(-n2cccn2)nn1)OC	297723142	SRXCNLYZRDUPCX-NSHDSACASA-N	319.369	1.104	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccn(CCc2ccccc2)n1	294556705	JCSOTNDSQRMQMW-UHFFFAOYSA-N	312.373	1.687	50	20	DDGD	
CN(C[C@H](O)Cc1ccccc1)S(=O)(=O)CBr	293046293	RQULRPMJBTUQBR-LLVKDONJSA-N	322.224	1.204	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CCCC23OCCO3)c1	807212041	ONOOQTIWWVIOJI-ZDUSSCGKSA-N	320.345	1.460	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ncccc2F)c(C)c1	807300865	XLHBYCNVWDRNKV-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cn(CCc2ccccc2)nn1	295654690	RZRPTFKNKZKLAG-UHFFFAOYSA-N	313.361	1.082	50	20	DDGD	
O=C(NNc1ncccc1F)Nc1ccc(-n2nccn2)nc1	806212133	MGDQZEVUNBSFIP-UHFFFAOYSA-N	314.284	1.345	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1cccc(O)n1	801601718	LLXMKDGZUYUWPI-UHFFFAOYSA-N	321.720	1.524	50	20	DDGD	
O=C1CCC[C@@H](C(=O)NNc2cc(Cl)ccc2[N+](=O)[O-])N1	296262475	XIQSATPKIMJDDT-QMMMGPOBSA-N	312.713	1.360	50	20	DDGD	
CO[C@H]1COCC[C@H]1CC(=O)NNC(=O)c1ccc(C)s1	294685018	YBBILKHGFLBCHR-QWRGUYRKSA-N	312.391	1.259	50	20	DDGD	
CO[C@@H](C)[C@@H](C)NC(=O)NNC(=O)Cn1ccc2ccccc21	811875667	CWCFRJUGZJQQGP-NEPJUHHUSA-N	318.377	1.395	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@H]1C[C@H](c2ccccc2)OC1=O	813424051	FKOXGFWNZWZUPN-CHWSQXEVSA-N	317.345	1.031	50	20	DDGD	
Cc1nc(CC(=O)NN=C2CC[C@@H](CC(=O)O)[C@H]2C)cs1	814739809	BPTFCUBKWSNLCM-SCZZXKLOSA-N	309.391	1.987	50	20	DDGD	
COCCN(C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1	816560976	HGBDHHXKSZANKX-UHFFFAOYSA-N	319.321	1.004	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1cccnc1SC(F)(F)F	816632560	OLIBJJZOYIMDRB-UHFFFAOYSA-N	304.257	1.569	50	20	DDGD	
Cn1ncc(C=NNC(=O)c2ccc(Br)s2)n1	814759655	KDBIHHBTWKBDQQ-UHFFFAOYSA-N	314.168	1.403	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)Cc2ccncc2)cs1	815746927	ZRIWLBQONLXSNR-UHFFFAOYSA-N	303.343	1.349	50	20	DDGD	
NC(=O)c1ccc(CNC(=O)NNc2cccc(Cl)n2)o1	814309145	YPRJIEJFUPCQEL-UHFFFAOYSA-N	309.713	1.253	50	20	DDGD	
COCCCNC(=O)NN=C1CC[C@@H](C(=O)O)C(C)(C)[C@H]1C	814820138	YFUBAKKMYGPBPG-QWRGUYRKSA-N	313.398	1.835	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccnc(-c2ncc[nH]2)c1	816970464	AETLGWGXPJIGLD-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=S)NC2CCC2)cc1	814195222	LIBGOWMNDPSQFB-UHFFFAOYSA-N	307.419	1.676	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc(Cl)c(Cl)[nH]1	818027408	OZINDUUYNZYSNL-UHFFFAOYSA-N	301.133	1.735	50	20	DDGD	
COC(=O)Cc1occc1C(=O)NNc1ncccc1Cl	810406220	YFHHUTFVSDKUEN-UHFFFAOYSA-N	309.709	1.800	50	20	DDGD	
COc1cc(C(=O)NN(C)C2CC2)cc(NC(C)=O)c1OC	819648611	LBPHZCLJCKDGFI-UHFFFAOYSA-N	307.350	1.401	50	20	DDGD	
CC[C@@H](Nc1ccccc1)C(=O)NNC(=O)CC(F)(F)F	729861331	OGEDAROAOGYKRP-SNVBAGLBSA-N	303.284	1.977	50	20	DDGD	
O=C(CC1CCN(CC(F)F)CC1)NNc1ncncc1F	823124830	IJDOWDCWFFZOPF-UHFFFAOYSA-N	317.315	1.426	50	20	DDGD	
COc1ccccc1CN(C)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	827297359	DYFIZZWRYWZGHU-YPMHNXCESA-N	321.377	1.293	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCOC[C@H](C3CCC3)C2)cn1	491009271	JQPIESMIEGYVPR-NXADEVLQSA-N	314.389	1.602	50	20	DDGD	
O=C(NNc1nc[nH]n1)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F	820815478	CCXFAJUGJCXTMD-PEBLOWIWSA-N	303.288	1.863	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1ccc(-n2ccnc2)nn1	725898059	KLIDTJGZPVGTQA-UHFFFAOYSA-N	314.349	1.004	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	824899223	IENFUJLQBZUTGT-SKDRFNHKSA-N	314.349	1.064	50	20	DDGD	
CC(C)(C)OC(=O)C(C)(C)CCNC(=O)NNc1ccncn1	823832586	XJKJKCZKDSLRAS-UHFFFAOYSA-N	323.397	1.861	50	20	DDGD	
O=C(NNc1ccc(F)cc1)NC1CCN([C@H]2CCOC2)CC1	823115670	LKSTZZZGEGOJLO-HNNXBMFYSA-N	322.384	1.705	50	20	DDGD	
CNc1ccc(C(F)(F)F)cc1C(=O)NNC(=O)NC1CC1	823767509	GVMVPXNDDVESJC-UHFFFAOYSA-N	316.283	1.854	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccnc(N2CCC[C@@H](C)C2)c1	496157505	XADXUFKLRKQANP-LLVKDONJSA-N	306.366	1.661	50	20	DDGD	
Cc1cccc(CCCNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n1	826772994	IKSRESYPELFWDG-TZMCWYRMSA-N	320.393	1.078	50	20	DDGD	
CCC(=NN(C)C(=O)OC)c1ccccc1OCC(=O)N(C)C	497255039	VXAROEZDWKWCDO-UHFFFAOYSA-N	321.377	1.966	50	20	DDGD	
CC[C@@](C)(CC(=O)OC)NC(=O)/C(C#N)=C\c1cnn(C)c1	826844003	XESNQINNICTEHD-GIXCSOPHSA-N	304.350	1.175	50	20	DDGD	
CC(C)(C)OC(=O)N(CCC(=O)NNc1nc[nH]n1)C1CC1	496437615	NHNBDVJLPQNRQA-UHFFFAOYSA-N	310.358	1.037	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)cc1	824037275	IAFTYERMTFENNT-TYNCELHUSA-N	317.389	1.691	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(-c2nn[nH]n2)cn1	826268845	PSGYLEDDOCNBFP-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
OB(O)c1ccc(CN[C@@H](c2ccccn2)C2CCCC2)o1	585027795	ZXMXLSHLLMENBP-MRXNPFEDSA-N	300.167	1.376	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)O[C@@H]2CCN(C)C2=O)cc1	734884228	RKYBZIGDILBIIG-FWLQQBITSA-N	300.314	1.376	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(-c2ccc3c(c2)CCO3)no1	493935532	QROARPYSIDNBRH-UHFFFAOYSA-N	317.301	1.667	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(F)c(Br)cc1F	823906863	DPKNJAZFJQQMHB-LURJTMIESA-N	323.137	1.685	50	20	DDGD	
O=C(N[C@H]1CC[C@H](C(F)(F)F)CC1)c1cccc(B(O)O)c1	585010693	WZSJWRLMQGIITR-UMSPYCQHSA-N	315.100	1.217	50	20	DDGD	
CC(C)[C@H]1CC[C@H](C)CCN1C(=O)c1cc(B(O)O)ccc1F	584948260	JJKJFVXWSDKZRQ-BLLLJJGKSA-N	321.201	1.792	50	20	DDGD	
CCN(C)c1ccc(/C=C(/C#N)C(=O)NCCCOC)cn1	491051379	SJWSNOBRDJZETK-UVTDQMKNSA-N	302.378	1.597	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2C[C@H](OC)C23CCC3)n1	838767419	NVIIVRVPUJLTAV-MNOVXSKESA-N	321.381	1.377	50	20	DDGD	
O=C(NNc1cccc(Br)n1)C1(O)CCCC1	837212893	VXDHLVYKPBTGDO-UHFFFAOYSA-N	300.156	1.592	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2CCCN(CCCO)C2)C[C@@H]1Br	908539573	BAPVTZCQVATQHX-MDZLAQPJSA-N	319.243	1.123	50	20	DDGD	
NC(=O)C(=O)NN=C1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]12	834917176	AHIVSDYGWGLCMH-DZGCQCFKSA-N	314.389	1.019	50	20	DDGD	
CC(F)(F)c1ccc(CNCc2cccc(B(O)O)c2)cc1	585043273	LFILZOXCUBLSEB-UHFFFAOYSA-N	305.133	1.768	50	20	DDGD	
O=C(CN1CSCCSC1)NNc1ncncc1Cl	907604364	PXDHWFATDRKZDD-UHFFFAOYSA-N	319.843	1.270	50	20	DDGD	
CN1[C@H]2CC[C@H]1CN(C(=O)[C@@]1(C)C[C@H]1Br)CC2	906867384	NESHUXKGLUMOJY-KQXIARHKSA-N	301.228	1.855	50	20	DDGD	
CC(C)(NC(=O)[C@H](Br)C(C)(C)C)c1cnn[nH]1	909721642	OLWPIMYQAJPIDO-QMMMGPOBSA-N	303.204	1.966	50	20	DDGD	
CO[C@@H]1CC(=NNC(=O)[C@H](C)CN2CCOCC2)C12CCC2	834932495	IGFLAJFVHSHRGI-TZMCWYRMSA-N	309.410	1.016	50	20	DDGD	
O=C(NNc1ncccc1F)N[C@H]1C[C@H]2CCCCN2C1=O	836693048	ZKTARSZLSPWSPE-KOLCDFICSA-N	307.329	1.000	50	20	DDGD	
CC1(C)CN(C(=O)c2ccc(B(O)O)cc2)C[C@@H]1c1ccccc1	584963658	BLEJQXUGHZPRJE-QGZVFWFLSA-N	323.201	1.632	50	20	DDGD	
CNC(=O)NNC(=O)CCCc1ccc(Br)cc1	900353047	NCCVVUGNDDCNJV-UHFFFAOYSA-N	314.183	1.732	50	20	DDGD	
CC(C)(C(N)=O)C(=O)NNc1cc(F)ccc1Br	839878753	JGOKRPNQMJRYDH-UHFFFAOYSA-N	318.146	1.543	50	20	DDGD	
CCCCO[C@@H]1C[C@@H](NC(=O)c2ccc(B(O)O)cc2)C1(C)C	584961465	REROCAJQYYVJGT-HUUCEWRRSA-N	319.210	1.080	50	20	DDGD	
OB(O)c1cccc(CNCc2ccccc2OCC2CC2)c1	585028285	IOODVOUMUMVPGX-UHFFFAOYSA-N	311.190	1.445	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NN=C1CCNC(=O)CC1	834937757	WPTKFLIRDXMZIF-UHFFFAOYSA-N	309.753	1.735	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1C[C@H]2C3CCC(CC3)[C@@H]2C1	585008213	MDOIGCFAZWQAAY-OQSWDALSSA-N	317.169	1.014	50	20	DDGD	
C=CCOC(=O)/C(C#N)=C\c1ccc(OC)c(-c2nn[nH]n2)c1	735437016	CPZBWRAVYKHRJO-XFFZJAGNSA-N	311.301	1.511	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)C1CCC1)NC(=O)C1CCCCC1	732144941	KVMZYBANMKNBFI-NSHDSACASA-N	309.410	1.409	50	20	DDGD	
CC1(C)C[C@@H]1CNC(=O)NNC(=O)COc1ccc(F)cc1	732893031	NKESGKQESFFBLC-SNVBAGLBSA-N	309.341	1.581	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)c1cc2c(s1)CCC2)C1CC1	836488384	KWYRZBLXQLQIQY-NSHDSACASA-N	323.418	1.606	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)Nc2ccc(F)cc2F)n[nH]1	918692452	WMYOPZDBXYVTNN-UHFFFAOYSA-N	311.317	1.628	50	20	DDGD	
O=C(NCCCC1CC1)NNC(=O)Nc1ccc2c(c1)OCO2	836313732	CJKCHHKDZOOPEW-UHFFFAOYSA-N	320.349	1.941	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)Cc1ccc2c(c1)CCO2	749802473	DSXDGTJQBABHNZ-UHFFFAOYSA-N	324.380	1.944	50	20	DDGD	
CN(C)c1ccc(S(=O)(=O)NCCCSC#N)cn1	916992485	LSAKZFJLFMTINU-UHFFFAOYSA-N	300.409	1.030	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)C1SCCCS1	841113135	PJZRNCPDZFMCCO-UHFFFAOYSA-N	314.407	1.712	50	20	DDGD	
CCSCc1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)no1	843660009	VHDFIECMCNKERX-WPRPVWTQSA-N	313.379	1.114	50	20	DDGD	
Cn1cccc1CNC(=O)NNC(=O)Cc1ccccc1F	743710148	IKNCFWBUPUIDDE-UHFFFAOYSA-N	304.325	1.237	50	20	DDGD	
C[C@@H](Cc1cnc[nH]1)C(=O)NNc1ccccc1S(C)(=O)=O	847588040	VCTOEDOLAWYEHB-JTQLQIEISA-N	322.390	1.135	50	20	DDGD	
Cc1cnc(CCNC(=O)NNc2ccc(C)nn2)c(C)c1	847415217	XPCJOHCXALJYHX-UHFFFAOYSA-N	300.366	1.666	50	20	DDGD	
COc1cccc(NC(=O)NNc2ccnc(N(C)C)n2)c1	740015885	CGDKBQAUOCORIT-UHFFFAOYSA-N	302.338	1.700	50	20	DDGD	
O=C(CN1CCCNC1=O)NNc1ccc(Cl)c(F)c1	746696183	UZHIAJBWYOSHEI-UHFFFAOYSA-N	300.721	1.338	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c2c1CCC2	843663318	XVOJPUGXAISBFL-AAEUAGOBSA-N	302.374	1.670	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CCO[C@@H]2C)cc(OC)c1O	842558743	YZFGTYOJNSIPGK-KOLCDFICSA-N	308.334	1.285	50	20	DDGD	
CC(C)n1cc(Br)cc1C(=O)NN(C)C[C@@H](C)O	910164383	XTFSDIRDOCGOAC-SECBINFHSA-N	318.215	1.789	50	20	DDGD	
CN(C)c1nc(CNC(=O)NNC(=O)CC(C)(C)C)cs1	747507283	CIXZTMVFWUAJKC-UHFFFAOYSA-N	313.427	1.476	50	20	DDGD	
CCN1CCC(=NNC(=O)[C@@H]2COc3ccccc3O2)[C@H](C)C1	741454249	YGDWMOOLWMEIQR-WBMJQRKESA-N	317.389	1.660	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnc([C@H](C)OCC)s1	742585188	CCYXRRZPRZSHMW-VIFPVBQESA-N	314.411	1.985	50	20	DDGD	
CCO[C@H](C)c1ncc(C(=O)NNC(=O)c2c[nH]nc2C)s1	742647670	PZAMZZIVWUWLOG-MRVPVSSYSA-N	323.378	1.347	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)Cn1cc(Br)cn1	848080697	BEYMUNWBKZWKAK-UHFFFAOYSA-N	314.998	1.908	50	20	DDGD	
COc1ccccc1CC(=NNC(=O)C(=O)NC(C)C)C(C)C	748250735	PJFMGKFYAHGFBR-UHFFFAOYSA-N	319.405	1.891	50	20	DDGD	
CN1CCC[C@@H]1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	748546673	LLZXNPYKIZEFKE-DLUQRMLASA-N	305.422	1.444	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1cc(C)n(C)n1	841607827	ZNNROWOXEOIFPN-UHFFFAOYSA-N	302.334	1.266	50	20	DDGD	
COc1ccccc1/C(C)=C\C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843649899	YKYZTHZVULGAQW-IELJYARXSA-N	318.373	1.671	50	20	DDGD	
C/C(=C\c1ccco1)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	848838158	WKCCUXFFPXTOSK-ZKQHCESOSA-N	322.361	1.808	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(C)n1C(C)C	843972002	DGQQJEKAFSGMAT-STQMWFEESA-N	307.394	1.872	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C[C@H](C)OC	749470018	PXKWIKSDPFDHQB-NSHDSACASA-N	310.350	1.037	50	20	DDGD	
Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)NN)c1	841199825	QPXHPRLXSAKNLV-UHFFFAOYSA-N	315.377	1.407	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)c1ccnc(F)c1	748695984	AAYOOELCZLHEKM-UHFFFAOYSA-N	313.292	1.032	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCC[C@@]1(O)CCCOC1	846603102	OHOFXADNXQALPZ-QXSWTLKVSA-N	318.348	1.780	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCNC(C)(C)C)cc1C	929247806	BADUEBBMXLEKPK-UHFFFAOYSA-N	321.421	1.608	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccn(-c2ccccc2)n1	843641491	CJPUMGQKYFNEPF-YPMHNXCESA-N	314.345	1.058	50	20	DDGD	
COC(=O)c1cccc2c1CCN(S(=O)(=O)CCl)C2	841530774	WFWCXNCGHUPPKU-UHFFFAOYSA-N	303.767	1.357	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	843663173	VUBWTEMISDEYHM-SMDDNHRTSA-N	320.389	1.545	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccnc(Cl)c1F	843979250	NCDNOYLAMOPURR-RNFRBKRXSA-N	301.705	1.060	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1C1CC1	843656063	LVOYOMYDUYRIRZ-GXFFZTMASA-N	318.373	1.759	50	20	DDGD	
CCCN1CC[C@@H](NC(=O)NNC(=O)c2cccc(Cl)c2)C1	852630849	DCNCJQLVTTVDTG-CYBMUJFWSA-N	324.812	1.768	50	20	DDGD	
O=S(=O)(CBr)N1CCNCc2ccccc21	850582725	URIPYXGSOQCAPX-UHFFFAOYSA-N	305.197	1.278	50	20	DDGD	
CCOC1CCC(=NNC(=O)Cc2cc(O)nc(S)n2)CC1	853285066	OSMMKLZAENPRCW-UHFFFAOYSA-N	324.406	1.465	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)NNC(=O)c1cc[nH]n1	855362283	PZZGLPZLFAYMBU-SECBINFHSA-N	314.436	1.885	50	20	DDGD	
Nc1ccc(C(=O)NNC(=S)NCC2CCC2)cc1[N+](=O)[O-]	855093291	KLBZSLGQGDZVGU-UHFFFAOYSA-N	323.378	1.086	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1cccc(F)n1)C1CCOCC1	852709342	SKNUMNPHRXCESA-NSHDSACASA-N	324.356	1.370	50	20	DDGD	
CC(C)n1ncc(C(=O)NNC(=O)CCc2ccccc2)c1N	757958964	JBVZVFSORCSHPE-UHFFFAOYSA-N	315.377	1.440	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)C[C@@H](C)c1cnn(C)c1)C1CC1	855096227	UNLLWZMCKVYAOL-ZJUUUORDSA-N	309.439	1.208	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1nc(SC)n2ccccc12	854925844	NXMSKPKUXMQDSI-UHFFFAOYSA-N	309.420	1.137	50	20	DDGD	
Cc1sc(Br)nc1C(=O)NNc1cnnn1C	857272839	IKJJQMSVCDYJBC-UHFFFAOYSA-N	317.172	1.099	50	20	DDGD	
C[C@@H](Oc1ccccn1)C(=O)NNC(=S)NCC1CCC1	855093192	ZEJFZLHTIWDDPO-SNVBAGLBSA-N	308.407	1.144	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(C2OCCO2)cc1	854952011	GHMIEUHJAUEQIB-UHFFFAOYSA-N	316.317	1.288	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCCC(=O)c1cccc(OC)c1	854920634	GKNGEOVPWCBWCT-UHFFFAOYSA-N	323.418	1.516	50	20	DDGD	
CCOC(=O)c1cnc(C)c(NC(=O)NNC(=O)[C@H](C)CC)c1	757811348	TZSCTJOASMDCPH-SECBINFHSA-N	322.365	1.766	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)NCc1nc(N(C)C)no1	922386508	PICGUSQFZFHSOU-UHFFFAOYSA-N	324.772	1.924	50	20	DDGD	
COC(=O)c1nccnc1NC[C@@]1(C)C[C@H]1Br	856788491	YPHZNJAYLQXTAT-RDDDGLTNSA-N	300.156	1.849	50	20	DDGD	
Cc1ncc(C=NNC(=O)CCNC(=O)OC(C)(C)C)n1C	853329569	BWYKKMPCRPYRJX-UHFFFAOYSA-N	309.370	1.093	50	20	DDGD	
CC[C@H](C)[C@@H](CNC(=O)NNc1ncc(Cl)cn1)OC	856908442	RACFGAYALYNSMZ-WCBMZHEXSA-N	301.778	1.817	50	20	DDGD	
Cc1cc(OCC(=O)NNc2nc(C(F)(F)F)cs2)no1	755859835	NEJZZBWPECFWJQ-UHFFFAOYSA-N	322.268	1.980	50	20	DDGD	
CO[C@@H](C(=O)NNC(=S)N[C@@H](C)C1CC1)c1ccccc1	855098397	HBPOGRLEKDIFCV-GXFFZTMASA-N	307.419	1.668	50	20	DDGD	
COCCOC1CN(C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	856953331	QSWPJVQWZBMPBM-CMPLNLGQSA-N	321.215	1.217	50	20	DDGD	
O=C(CNc1ccccc1F)NN=C1CCCn2nccc21	853264178	SZJOZUWBYSBRNQ-UHFFFAOYSA-N	301.325	1.748	50	20	DDGD	
C[C@]1(CNC(=O)c2ccc3nc[nH]c3n2)C[C@H]1Br	857396199	ZGPRYNDFNCTSFP-BXKDBHETSA-N	309.167	1.861	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@H]2CCO[C@H](C)C2)c1	858343344	YQCAGDHEPCGRLH-MNOVXSKESA-N	311.407	1.816	50	20	DDGD	
CCCCn1cc(C(=O)NNC(=O)OCC(F)(F)F)c(C)n1	856022496	DOPXTDMZRBKVQC-UHFFFAOYSA-N	322.287	1.925	50	20	DDGD	
O=C(CNC(=O)C1CC1)NNc1nc2ccc(Cl)cc2s1	856234253	RGGDEELCYURHTE-UHFFFAOYSA-N	324.793	1.919	50	20	DDGD	
COc1nccnc1NNC(=O)c1cnccc1C(F)(F)F	857539770	CTWZMKVQPGEUEP-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cnc2[nH]nnc2c1)c1ccccc1	755310986	WYAHRSCRQGQBHL-LBPRGKRZSA-N	324.344	1.308	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CCC[C@@H](CO)[C@@H]2C)c1	858707074	IUEXOSSLAKCKLJ-QWRGUYRKSA-N	311.407	1.504	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2[nH]c(C)nc2C)c1	856718678	SDDACPLEXHLNCY-UHFFFAOYSA-N	302.334	1.175	50	20	DDGD	
Cn1cnc2cccc(C(=O)NNC(=S)NCC3CCC3)c21	855089777	GFKVVBGUHSYYRW-UHFFFAOYSA-N	317.418	1.482	50	20	DDGD	
CCc1csc(CC(=O)NNC(=O)OCC(F)(F)F)n1	856020410	GLQJQKLEEFMQBT-UHFFFAOYSA-N	311.285	1.568	50	20	DDGD	
C[C@H]1C[C@@H](C)[C@H](CN)CN1S(=O)(=O)CC(C)(C)CCl	866772407	DHMUNSZEQDMAGL-GRYCIOLGSA-N	310.891	1.886	50	20	DDGD	
CC(C)c1nc(C=NNC(=O)[C@@H]2CCC(=O)N2)c2ccccn12	863148128	UGQQVKUYGPEJQN-NSHDSACASA-N	313.361	1.186	50	20	DDGD	
C[C@@H](NNC(=O)CNC(=O)c1ccc(F)cc1)C(F)(F)F	862305373	ZFSLPVPFQZPBEP-SSDOTTSWSA-N	307.247	1.127	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1ccnc(O)c1	760449217	BAUMBMLUCZBXGA-UHFFFAOYSA-N	306.347	1.035	50	20	DDGD	
CCCC1(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CC1	760317813	FYMSRGWVWDBRRL-UHFFFAOYSA-N	304.346	1.799	50	20	DDGD	
CCCCC[C@@H]1CCCN1C(=O)c1cc(B(O)O)ccc1F	863875967	JYMLNLORFLFKDG-CYBMUJFWSA-N	307.174	1.690	50	20	DDGD	
Cc1cccc2sc(NNC(=O)N[C@H](C)C(=O)N(C)C)nc12	868344963	WUHNQLCQEANGDA-SECBINFHSA-N	321.406	1.708	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cnc3ccccc3n2)cn1	765990889	NIDVLHHVKPIBBD-UHFFFAOYSA-N	323.312	1.568	50	20	DDGD	
O=[N+]([O-])c1ccc(Cl)c(COc2ccc(B(O)O)cc2)c1	864048184	DTSLXQZHNJCILE-UHFFFAOYSA-N	307.498	1.507	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1cccc(NC(C)=O)c1	864362341	BPZZSEKCDFEIGK-NTEUORMPSA-N	301.346	1.705	50	20	DDGD	
C[C@@H]1c2nncn2CCN1S(=O)(=O)CC(C)(C)CCl	867182027	QMTGWYKPWBGDAQ-SECBINFHSA-N	306.819	1.250	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H](C)NC(=O)C2CCCCC2)n1	862524030	RYZHLDIUXNHAJV-GFCCVEGCSA-N	304.394	1.918	50	20	DDGD	
CC(C)[C@@H](NC1CCOCC1)C(=O)NN[C@@H](C)C(F)(F)F	863921163	WMMBBVRGYYPFEJ-GXSJLCMTSA-N	311.348	1.351	50	20	DDGD	
O=C(NNC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)c1cn[nH]c1	862472101	FPDDHZVIXJCLSN-OAAXVMEWSA-N	306.341	1.479	50	20	DDGD	
O=C(NCc1ccn2ccnc2c1)NNC(=O)C1CCCC1	762400924	IAIDGGWIXHRSCB-UHFFFAOYSA-N	301.350	1.355	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@@H]1CCCCNC1=O	767029874	MROBAYRUJUQLOO-BDAKNGLRSA-N	305.216	1.581	50	20	DDGD	
COc1cc(C#N)ccc1NC(=O)NNc1nccnc1OC	766240483	BCEHXOSHGSEUNG-UHFFFAOYSA-N	314.305	1.514	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)N[C@@](C)(C1CC1)C(F)(F)F	933580935	WQTVAIMYHSYPBH-NSHDSACASA-N	319.287	1.393	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(C(C)=O)c1	764082033	AHIHZDWOSJKXHU-SECBINFHSA-N	305.334	1.021	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(F)c(F)c1F)[C@H]1CCC(=O)N1	860315566	KIPXHTJHHQBIKS-POYBYMJQSA-N	301.268	1.462	50	20	DDGD	
CCCc1ccc(NC(=O)C(=O)NNC(=O)C2CCC2)cc1	764335431	QHRPRQIBBYWGDE-UHFFFAOYSA-N	303.362	1.525	50	20	DDGD	
C[C@H](NNC(=O)[C@@H](C)NC(=O)c1cccs1)C(F)(F)F	862307179	UOUOTRFNLLFDCC-RQJHMYQMSA-N	309.313	1.438	50	20	DDGD	
Cc1cc2occ(C(=O)NNC(=O)[C@H]3CCC(=O)N3)c2cc1C	862461333	OCRARAFWQROFEP-GFCCVEGCSA-N	315.329	1.089	50	20	DDGD	
O=C1NCCC[C@H]1C(=O)NNc1cc(Cl)cc(Cl)c1	867760301	ATQIXMTZIACZRZ-SNVBAGLBSA-N	302.161	1.963	50	20	DDGD	
CCc1ncncc1C(=O)NNc1cc(C#N)cc(Cl)n1	768702222	BYAKPEKPDBNRIA-UHFFFAOYSA-N	302.725	1.716	50	20	DDGD	
CC(C)c1ccc(NNC(=O)CN2CC(=O)N(C)C2=O)cc1	861926677	YWNLZHQUNONLFD-UHFFFAOYSA-N	304.350	1.147	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)Nc3ccccc3F)nc21	769933670	HHDTWTVGVVETNJ-UHFFFAOYSA-N	317.284	1.357	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)C[n+]2ccccc2)c(OC)c1	1115813001	HNHWZVIDWQXFAT-UHFFFAOYSA-O	314.365	1.532	50	20	DDGD	
CC[C@@]1(C(=O)NNc2nccc3sccc23)CCNC1=O	878856482	ISHLRWJKRKZSKJ-CQSZACIVSA-N	304.375	1.656	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NNC(=O)C(C)C)c1C	765029149	NBMGTWHELWPSSO-UHFFFAOYSA-N	315.351	1.177	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)C(=O)Nc1ccc(C2CC2)cc1	763432150	WZNBJMHVCCMWBZ-UHFFFAOYSA-N	323.352	1.964	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)C(=O)NNC(=S)Nc1ccccn1	874955965	DUMDWCQBTMHWRD-QMMMGPOBSA-N	318.406	1.543	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=S)NC(C)C)c1Cl	1116126777	PLJXLHRGZYTFDE-UHFFFAOYSA-N	303.819	1.382	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc2[nH]nc(C(=O)OC)c2c1	772305797	WUFNGTZXHVPDDC-UHFFFAOYSA-N	321.293	1.132	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(F)cc1F	771891519	NGJDNNAWVWKHNP-SSDOTTSWSA-N	300.261	1.068	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCO[C@H](C)C2)cc1C	776341434	SVBBIIFVFKUBJL-KGLIPLIRSA-N	320.389	1.645	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H]2CC[C@@H](C)C2)cn1	776345482	SWLZVVCVJBQFCC-NXEZZACHSA-N	308.407	1.844	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)Cn2cc(C)cn2)c1	873753602	AHEVONKWXIYUCJ-UHFFFAOYSA-N	317.418	1.826	50	20	DDGD	
C[C@H](OCc1ccncc1)C(=O)NNC(=S)NCC1CCC1	1119042344	ZLIYUMYWDIMODY-NSHDSACASA-N	322.434	1.282	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cnc(C2CC2)s1	772089042	FJTLSIIPOWMDSO-ZETCQYMHSA-N	311.363	1.123	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)c1nccs1	770131047	CLCWBCZJYJJCHY-UHFFFAOYSA-N	301.331	1.174	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CC3(CCC3)Oc3ccccc32)cc1	877094660	LXIIJKVCGLBGHI-QGZVFWFLSA-N	323.201	1.903	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1cccc2c(C)ccnc12	777617309	QEZCDJPTWBTSNM-UHFFFAOYSA-N	322.390	1.446	50	20	DDGD	
CCCNC(=O)NNC(=O)c1nn(-c2ccccc2)cc1C	771269750	QPRYEGMGUGRILR-UHFFFAOYSA-N	301.350	1.535	50	20	DDGD	
COc1cccc2[nH]cc(CC(=O)NNC(=O)NCC3CC3)c12	778650732	QNEXRLSJNFTDLI-UHFFFAOYSA-N	316.361	1.459	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](CC)Nc1ccccc1	772116463	SIJLKFKHMYHREE-YPMHNXCESA-N	321.377	1.366	50	20	DDGD	
Cc1ccc(NC(=O)NNc2ncc(F)cn2)c(N(C)C)n1	775683470	SQSBPISETSFEKO-UHFFFAOYSA-N	305.317	1.534	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](CC)Oc1ccccc1F	887144500	PDNYRJVVVMIJIG-CYBMUJFWSA-N	306.337	1.934	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@H]1CCc2c(O)cccc21	883462965	FLHWTPLFPIVPRY-ZDUSSCGKSA-N	319.361	1.137	50	20	DDGD	
C[C@H](C(=O)NNc1c(F)cccc1Cl)N1C(=O)CCC1=O	770198176	XRNNAQMRUUSVSF-SSDOTTSWSA-N	313.716	1.460	50	20	DDGD	
CO[C@H]1CCCCC1=NNC(=O)CCNC(=O)OC(C)(C)C	779806110	BFWVWRFPPQHHDQ-LBPRGKRZSA-N	313.398	1.962	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H]1CCc2cc(O)ccc2C1	775075952	RQLFPSFSQFQKKD-ZDUSSCGKSA-N	305.378	1.626	50	20	DDGD	
CCc1c(C(=O)NNc2cccc(S(C)(=O)=O)c2)cnn1C	776533244	AVNCVFHOCPRQGX-UHFFFAOYSA-N	322.390	1.143	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1cc(O)cc([N+](=O)[O-])c1	772409199	OHKDKXROSNDTMG-UHFFFAOYSA-N	320.261	1.038	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CN2CC=CCC2)cc1C	778967270	HYCBLPCKQDLMKR-UHFFFAOYSA-N	307.419	1.642	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CC(=O)CC[C@@H]2C)cc(C#N)n1C	885098182	ZCOMERRVMFRRTO-RZBIUYHXSA-N	310.357	1.692	50	20	DDGD	
CCOc1ncccc1NC(=O)C(=O)NN(C)c1ccccc1	783434149	FHIXALBFPRBERC-UHFFFAOYSA-N	314.345	1.586	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@H]1CCOC2(CCC2)C1	888814595	FBONNAPKWRALPE-ZDUSSCGKSA-N	303.362	1.121	50	20	DDGD	
O=C(CN1CSCC1=O)NNc1ccc(F)cc1Cl	885135966	RDDLJIBAKMELDM-UHFFFAOYSA-N	303.746	1.455	50	20	DDGD	
C[C@@H](NS(=O)(=O)CBr)[C@@H](O)Cc1ccccc1	782471677	BOBPWRVLZCEXMZ-KOLCDFICSA-N	322.224	1.250	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cccn2c(O)nnc12	780992249	VRGBUUXFZWKJME-UHFFFAOYSA-N	314.261	1.100	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cnc(-c2ccco2)s1	782243215	QUZAXNNTGLBLNA-JTQLQIEISA-N	323.374	1.905	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1	884824204	LXIHNAMOOSYNGG-KLOBIAMYSA-N	323.393	1.802	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N2CCC[C@@H](CF)C2)cc1	883461173	OZVLDNZPGNKMFI-LBPRGKRZSA-N	304.325	1.594	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)C(=O)c1ccc(Cl)cc1	883062598	JVCKGKUPHKAFCC-UHFFFAOYSA-N	310.737	1.097	50	20	DDGD	
COCCNCCc1cn(/C(Cl)=C\CBr)nn1	881310819	QAQLZSVTKAHNTN-SGAXSIHGSA-N	323.622	1.489	50	20	DDGD	
COc1ccc(NNC(=O)c2c[nH]nc2-c2ccncc2)nc1	781516613	OGFLWSGHOWWNED-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
O=C(CN[C@H](c1ccccc1)C(F)(F)F)NN=c1cc[nH]cc1	781020571	ZWNLCDPYQCLPDS-CQSZACIVSA-N	324.306	1.840	50	20	DDGD	
NC(=O)c1ccccc1C=NNC(=O)c1cccc([N+](=O)[O-])c1	788698868	NDACDNXYGMHGBV-UHFFFAOYSA-N	312.285	1.458	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=CCC1CCOCC1	788704661	NEECUCHTNJIQPX-UHFFFAOYSA-N	301.346	1.856	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2ncnc3ccsc23)C1	787125814	JURYLCPJTSBWCQ-RKDXNWHRSA-N	319.390	1.426	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1coc(-c2cccnc2)n1	899999762	WBUHSKGBXWJQGG-UHFFFAOYSA-N	319.390	1.644	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1cccc2nn[nH]c12	783689387	VRTFGUUKJVWQPH-UHFFFAOYSA-N	323.238	1.524	50	20	DDGD	
CC(=O)c1ncc(C(=O)NNC(=S)NC(C)(C)C)s1	899997907	AEXZDUZODFHMQK-UHFFFAOYSA-N	300.409	1.253	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)CNc2ccccc2)on1	792887339	QTJFHTRGKUSQPA-UHFFFAOYSA-N	316.317	1.414	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1c(O)cccc1Cl	798314979	JKDVZASGDFKKQT-UHFFFAOYSA-N	311.647	1.552	50	20	DDGD	
C[C@H]1C[C@H](c2ccccc2)N(CC(=O)NNC(=O)C2CC2)C1	796621659	MJGDOKCOYFZMQZ-SWLSCSKDSA-N	301.390	1.627	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCC2(C#N)CC2)cc1	797581234	OOGGSJMTSQTIIE-UHFFFAOYSA-N	302.334	1.008	50	20	DDGD	
COc1cc(NNC(=O)Cn2ccc(C)cc2=O)ccc1Cl	790170437	MDHRTTGCEBTMJS-UHFFFAOYSA-N	321.764	1.962	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)Nc1cc(Cl)ccn1	794354390	STZNJMBKKQYZHD-UHFFFAOYSA-N	303.713	1.926	50	20	DDGD	
O=C(NN=Cc1ccc2c(c1)CCCC2)[C@H]1CCS(=O)(=O)C1	792958513	JRBRQTNHNSNHRL-HNNXBMFYSA-N	320.414	1.450	50	20	DDGD	
Cc1ccnc(NNC(=O)c2cc(=O)n(C)c3ccccc23)c1	1319059215	VAHBIJRQLOOXJW-UHFFFAOYSA-N	308.341	1.999	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H](c1ccccc1)n1cccn1	1318131504	ZWLPSTYXJMOIDF-ZDUSSCGKSA-N	317.418	1.376	50	20	DDGD	
CCOc1ncccc1C(=O)NNc1nncc(N)c1Cl	1319328524	MCVPSXPNLIXXJS-UHFFFAOYSA-N	308.729	1.263	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Nc2ccc(OC)nc2)cc1	1317931097	DGJGBMZHKWSEDM-UHFFFAOYSA-N	316.317	1.565	50	20	DDGD	
Cc1cc2cc(NC(=O)NN(C)C3CC3)ccc2n(C)c1=O	1326663838	FNZSPDBIOUAVTB-UHFFFAOYSA-N	300.362	1.978	50	20	DDGD	
CSSCCNC(=O)NNc1nncc(N)c1Cl	1321912144	UQCXEGBDCORBTB-UHFFFAOYSA-N	308.820	1.350	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)CCNc2ccccc2)n1	1325760470	DAKJJGLOXOGJNI-UHFFFAOYSA-N	306.757	1.658	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCSC1)c1cncn1-c1ccccc1	1253001276	QMEIGCHFPPVLDR-LLVKDONJSA-N	316.386	1.386	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1csc(O)n1	1322512858	UZQPDIGZMTWSEP-UHFFFAOYSA-N	302.315	1.447	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1cc(C2CC2)[nH]n1	1330917330	UJYNCTSUXLYGME-UHFFFAOYSA-N	302.363	1.314	50	20	DDGD	
CCOCc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	1332151846	HQVDZNKINMLDQJ-SMDDNHRTSA-N	321.377	1.801	50	20	DDGD	
CN(C)Cc1cc(C(=O)NNc2cccc([N+](=O)[O-])c2)no1	1254721098	IDTUKBITNTWLAW-UHFFFAOYSA-N	305.294	1.401	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H](C)Cn2ccc(C)n2)cc1	1348503805	YARXUJRKCSLHSJ-NSHDSACASA-N	316.361	1.297	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1Cc2ccc(C)cc2S1	1342608418	UQLBMUCXZZKNJV-LBPRGKRZSA-N	316.386	1.954	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1c(F)ccnc1Cl	1347048311	RBKKWLWTRYPXCA-RQJHMYQMSA-N	301.705	1.060	50	20	DDGD	
CCO[C@@H](CC(=O)NNC(=O)c1n[nH]c2c1CCCC2)C(C)C	1340364836	YWALSIPXCQXMPX-ZDUSSCGKSA-N	322.409	1.501	50	20	DDGD	
CCOC(=O)C1(CNC(=O)NNc2ncccc2F)CCCC1	1357715111	VUJKRELQCOHFND-UHFFFAOYSA-N	324.356	1.970	50	20	DDGD	
CC(C)=CCCNC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1351179221	USIZBVGFEOKYRK-ZWNOBZJWSA-N	317.227	1.749	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H]1CC[C@H]2C[C@H](C)CN2C1	1527391829	XWKITBCAFHOXFC-CFVMTHIKSA-N	315.417	1.876	50	20	DDGD	
O=C(Cc1ccccc1CO)NNc1cccc(C(=O)O)c1F	1601369532	RFPQKDADFCIXLQ-UHFFFAOYSA-N	318.304	1.702	50	20	DDGD	
Cc1ccccc1OCC(=O)NNc1ncccc1C(=O)O	1605356979	PKGXUSFSRSNMIK-UHFFFAOYSA-N	301.302	1.610	50	20	DDGD	
O=C(O)CSCCC(=O)NNc1cc(C(F)(F)F)ccn1	1608766968	WOCCFYNBZSYSSA-UHFFFAOYSA-N	323.296	1.751	50	20	DDGD	
Cc1cc(O)ccc1CC(=O)NNc1ncccc1C(=O)O	1605216753	QNBCKYBQSNNHLC-UHFFFAOYSA-N	301.302	1.480	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)C(=O)O)c(OC(C)(C)C)c1	1600416711	PQPXJAZUOATOGD-UHFFFAOYSA-N	323.349	1.087	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNc2ncccc2C(=O)O)cn1	1602925742	UCCQUAMFZFIIMW-UHFFFAOYSA-N	315.333	1.624	50	20	DDGD	
Cc1c(NNC(=O)NC[C@@H]2CCCCO2)cccc1C(=O)O	1607552530	IREKXWIOFABGJO-NSHDSACASA-N	307.350	1.888	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@H](C(=O)O)C2CCCCC2)cn1	1600946029	KHFDDURWULUPJM-LVOZBFFPSA-N	316.361	1.477	50	20	DDGD	
O=C(NCCOCC(F)F)NNc1ccc(C(=O)O)cc1F	1608448184	MTYBNKKWJFGGNG-UHFFFAOYSA-N	321.255	1.432	50	20	DDGD	
O=C(O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)NNc1ncc(F)cc1F	1602210998	NIKSTKCQMJMUJF-MMSPYSMKSA-N	323.299	1.716	50	20	DDGD	
C[C@@H]1COCC[C@H]1NC(=O)NNc1cccc(C(=O)O)c1F	1609878518	PCXLXSIJILSZNS-PSASIEDQSA-N	311.313	1.575	50	20	DDGD	
Cc1noc(C)c1CNC(=O)NNc1ccc(C(=O)O)cc1F	1608025501	YNJKHBYMNGEASF-UHFFFAOYSA-N	322.296	1.955	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@H]1C(=O)NN=Cc1cncs1	1549309380	IELVHWHXNMKOAS-NEPJUHHUSA-N	319.390	1.495	50	20	DDGD	
CCOCCCCNC(=O)NNc1ccc(C(=O)O)cc1F	1610031981	BAVMFCRPANGKNE-UHFFFAOYSA-N	313.329	1.967	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1cc(C(F)(F)F)ccc1F	1610784040	VCBUXYABXQWDMD-UHFFFAOYSA-N	307.203	1.562	50	20	DDGD	
CCC(=O)N1CCC2(CCCN(C(=O)[C@H](O)CCl)C2)CC1	1805519797	VUPIURJWONUAHE-GFCCVEGCSA-N	316.829	1.227	50	20	DDGD	
O=C(NN=C1CCCC12CCOCC2)[C@H]1CN2CCC[C@@H]2CO1	1549320101	KNASPCPHZFKXJW-ZIAGYGMSSA-N	321.421	1.303	50	20	DDGD	
BrC[C@@H](CN1CC[C@]2(CNCCO2)C1)C1CC1	1574449029	VYMSTRSLJZUPGP-STQMWFEESA-N	303.244	1.472	50	20	DDGD	
CCCNNC(=O)C[C@H](NC(C)=O)c1ccccc1OCC	1577574729	PKZOEBVIUGRRBS-AWEZNQCLSA-N	307.394	1.683	50	20	DDGD	
CC1(C)C[C@@]1(C(=O)O)C(=O)NNC(=O)Cc1ccccc1F	1589219878	SNMRWQMQNWUZBN-HNNXBMFYSA-N	308.309	1.017	50	20	DDGD	
C=CCCn1cc(C(=O)NNc2ccc(C(=O)O)cc2F)nn1	1588817318	HPVJPQZJJZVODM-UHFFFAOYSA-N	319.296	1.448	50	20	DDGD	
C[C@@H](SCC(=O)NNC(=O)c1ccc(Cl)cc1)C(=O)O	1589170077	YGGPMIXHJJNOQD-SSDOTTSWSA-N	316.766	1.307	50	20	DDGD	
Cc1ncoc1C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843362669	DYDTZWOEXNRUGK-JTQLQIEISA-N	315.732	1.334	50	20	DDGD	
CCCCCOc1ccc(C=NNC(=O)NCC(=O)O)cc1	1595721562	PSPSZYYTOKGWJW-UHFFFAOYSA-N	307.350	1.973	50	20	DDGD	
C[C@@H](NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1CC2)C(F)(F)F	1593318230	DAORHRIMLJBDTJ-KBDSZGMXSA-N	306.284	1.471	50	20	DDGD	
C[C@@H](NC(=O)[C@@]1(c2ccccc2)C[C@H]1Br)C(=O)O	1594200107	SQHYRBYTDOYUPF-ZDSQKVDBSA-N	312.163	1.681	50	20	DDGD	
CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](F)Cl)CC1	1796803667	DCCBOVFUBQHOHO-LMLFDSFASA-N	302.777	1.959	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1)C1CC1	151119248	HRWKGJNXURPCQR-MRVPVSSYSA-N	304.375	1.945	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC1C2CC3CC(C2)CC1C3	152324762	HVKWSJZMMDNOSL-UHFFFAOYSA-N	309.410	1.426	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)c1c(C)nc2ccccn12	152070643	USVKNTKEFIAWEE-UHFFFAOYSA-N	313.361	1.390	50	20	DDGD	
CS[C@H](C)C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1	154390822	MVRUYSLATWOPML-MRVPVSSYSA-N	322.365	1.728	50	20	DDGD	
CC(C)N(Cc1ccccn1)S(=O)(=O)CBr	127183659	KJZVCDDMYWFVFA-UHFFFAOYSA-N	307.213	1.974	50	20	DDGD	
CCN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(CCl)cc1	312868438	OFKQZAPEZVLJIT-JTQLQIEISA-N	318.826	1.571	50	20	DDGD	
N#Cc1ccc(NCC(=O)NNc2nccnc2Cl)cc1	114895451	PDYULDGYDXHCSB-UHFFFAOYSA-N	302.725	1.557	50	20	DDGD	
CNC(=O)NNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1	56375318	BCRAALQDYZRDRY-UHFFFAOYSA-N	308.338	1.607	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(C)c(Cl)c2)n1	103063432	ZMIWOCGNQMHDLK-UHFFFAOYSA-N	320.780	1.923	50	20	DDGD	
C[C@H]1CCC[C@@H]1NC(=O)NNC(=O)COc1ccc(C#N)cc1	105310210	ODQLMFMMLCOBHQ-FZMZJTMJSA-N	316.361	1.456	50	20	DDGD	
COC(=O)NNC(=O)Nc1cnn(-c2ccccc2Cl)c1	119076224	KDDZAFHCNBUKPH-UHFFFAOYSA-N	309.713	1.918	50	20	DDGD	
C[C@H]1CCCN(C[C@@H](C)NC(=O)NNC(=O)OC(C)(C)C)C1	56785713	SXVAVZUUNJSHRP-NWDGAFQWSA-N	314.430	1.846	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc(-c2ccco2)on1	109995990	VSBRVNFSIWHGHC-UHFFFAOYSA-N	301.262	1.041	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cc(O)nc2ccccc12	103424739	BIJJSJDXSCFFEU-UHFFFAOYSA-N	322.324	1.339	50	20	DDGD	
O=C(CCCNC(=O)c1ccc(F)cc1)NNc1cnccn1	114877178	WHWVHOSVMGKOPL-UHFFFAOYSA-N	317.324	1.269	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccc(F)cc1)Cc1nccs1	175063879	NTXIEJLCLHJEGR-UHFFFAOYSA-N	322.365	1.175	50	20	DDGD	
COc1ccc2c(c1)C[C@H](C(=O)NNc1cc(C)ncn1)CO2	172276862	AOVVECIVGPQGQP-LBPRGKRZSA-N	314.345	1.488	50	20	DDGD	
O=C(Cc1cccc([N+](=O)[O-])c1)NNC(=O)NC1CCCCC1	172936196	MYFYWOFJHAPFOB-UHFFFAOYSA-N	320.349	1.800	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@H]2CCc3ccccc32)n1	111880302	UCUKAMLMXSYQRR-GFCCVEGCSA-N	313.361	1.841	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2C[C@]23CCc2ccccc23)cn1	173688811	CLNCZMAYOYGUBG-YOEHRIQHSA-N	310.357	1.085	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)COc1ccc(C#N)cc1)C1CC1	63628075	UTDFRNAPBKUCQK-LLVKDONJSA-N	301.346	1.521	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@H]2C(=O)Nc3ccccc32)o1	176212033	FZQUUJHCBWXEBP-LLVKDONJSA-N	313.313	1.475	50	20	DDGD	
CC(=O)CCC(=O)NNC(=O)c1cccc(Br)c1	173428737	CWDPSMUWSLYCAW-UHFFFAOYSA-N	313.151	1.579	50	20	DDGD	
C[C@@H](O)CC(C)(C)CNC(=O)NNc1ccc(Cl)nn1	175563887	YMBPWGDEIGJUMC-MRVPVSSYSA-N	301.778	1.553	50	20	DDGD	
C[C@@H](NC(=O)c1ccoc1)C(=O)NNc1c(F)cccc1F	118514625	UFAUEQBGPOAMKT-MRVPVSSYSA-N	309.272	1.819	50	20	DDGD	
N#Cc1c[nH]c(C(=O)NNC(=O)c2cccc3ncccc23)c1	175593640	UVNSJWFLFSMQIH-UHFFFAOYSA-N	305.297	1.509	50	20	DDGD	
CCOC[C@@H]1CCCN(C(=O)NNC(=O)Cc2cccnc2)C1	113974233	NLQMOQSBPASTOY-CQSZACIVSA-N	320.393	1.113	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCC[S@](=O)Cc1ccccc1	178965589	ZHYSSBKPXSNHTF-KVDXNUTJSA-N	306.387	1.495	50	20	DDGD	
CCCN1CCC[C@H]1C(=O)NNC(=O)c1ccc(Cl)nc1	124325816	AWBKIMDLVTXFAW-NSHDSACASA-N	310.785	1.370	50	20	DDGD	
Cc1cc(F)c(S(=O)(=O)NNC(=O)c2ccc[nH]2)cc1F	121460176	CJZFHWLCFBIHRI-UHFFFAOYSA-N	315.301	1.225	50	20	DDGD	
CSCC[C@@H](C)NC(=O)NNC(=O)c1cccc(C#N)c1	77662053	BYTFSABDFYKLQP-SNVBAGLBSA-N	306.391	1.644	50	20	DDGD	
COc1cc(F)ccc1NC(=O)NNC(=O)c1ccncc1	183603986	ZBMGTNIORQVJDA-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccccc1Cl)CC1CC1	72632731	YDBGTOOXTOGNRD-UHFFFAOYSA-N	309.797	1.833	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)C[C@H]1C=CCCC1	188401657	RLAYRYBWHCUQDP-ZDUSSCGKSA-N	312.373	1.771	50	20	DDGD	
Cc1ccc(NNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1	120099832	MHIUWBDFLVVWBJ-MRXNPFEDSA-N	316.361	1.159	50	20	DDGD	
O=C(NNc1cccnc1Cl)[C@H]1CC(=O)N(C2CCCC2)C1	128296997	JEJHSOVTXWEYNY-JTQLQIEISA-N	322.796	1.969	50	20	DDGD	
Cc1csc(NC(=O)C(=O)NNc2ccc([N+](=O)[O-])cc2)n1	186189983	LQWXTTPICHGDMD-UHFFFAOYSA-N	321.318	1.442	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NNc1nnc(-c2ccccn2)s1	188215128	PXRRFMNGBJVDMD-WCBMZHEXSA-N	305.363	1.468	50	20	DDGD	
O=C(COc1ccc([N+](=O)[O-])cc1)NNc1ccnc(F)c1	182421123	PIRFJHDSYVVRTA-UHFFFAOYSA-N	306.253	1.651	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1cc(F)ccc1[N+](=O)[O-]	77708731	YZAJALYPMTWQPA-UHFFFAOYSA-N	319.314	1.090	50	20	DDGD	
CSC[C@H](C)NC(=O)NNC(=O)Cc1c[nH]c2ccccc12	77626847	HZUZSUOLCLYPQT-JTQLQIEISA-N	320.418	1.792	50	20	DDGD	
CCO[C@@H]1C[C@@](N)(C(=O)NNc2nc(C)cc(C)n2)C1(C)C	187182906	GUHJYGIOZDBBBF-IAQYHMDHSA-N	307.398	1.069	50	20	DDGD	
COc1cc(CCC(=O)NNC(=O)C(C)(C)C)cc(OC)c1	77219686	FJYXVGFRNCQXBW-UHFFFAOYSA-N	308.378	1.830	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@H]2CCN(C3CC3)C2)o1	84431640	IQRYFJRJBYXQFT-LLVKDONJSA-N	306.366	1.016	50	20	DDGD	
O=C(NNC(=O)C1CCN(c2ncccn2)CC1)C1CCCC1	49696072	FORSVWNUMUCDAJ-UHFFFAOYSA-N	317.393	1.031	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C(C)(C)O)[nH]c2c1C(=O)CC(C)(C)C2	192923085	KEFRAHCETSOOHH-UHFFFAOYSA-N	321.377	1.010	50	20	DDGD	
CC(C)(C)C(=O)N1CCN(CCI)CC1	190798310	RLZZNOALZBWHMY-UHFFFAOYSA-N	324.206	1.612	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C[C@H]2CCCCO2)c1	88278787	GWRGIHHOUDVSKD-CQSZACIVSA-N	317.414	1.945	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC1CCN(C2CC2)CC1	45410442	ODGTZNCMLBTIJZ-UHFFFAOYSA-N	316.405	1.566	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(OC(C)C)nc2)o1	84292073	PMJRNQCLCMIOHG-UHFFFAOYSA-N	303.318	1.845	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NNC(=O)c1ccc(Cl)cc1OC	192849844	GKNKOUFOPCHUPQ-PWSUYJOCSA-N	312.753	1.535	50	20	DDGD	
C[C@@H]1CCC[C@@H](C)C1NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	246138382	ZKJJPVSSARYJAE-GYSYKLTISA-N	317.455	1.192	50	20	DDGD	
COC(=O)NN=Cc1cc2c(cc1Br)OCO2	254395224	FSGYZQILAWIJTC-UHFFFAOYSA-N	301.096	1.868	50	20	DDGD	
CCc1ccc([C@@H](COC)NC(=O)NNc2ncccn2)o1	266776595	KQJMVTKJMDRUHB-LLVKDONJSA-N	305.338	1.646	50	20	DDGD	
CN(CCNC(=O)NNc1cc(F)c(F)c(F)c1)C1CC1	266917849	BLHZSSMRVXDKIL-UHFFFAOYSA-N	302.300	1.824	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)c1cccn1C)N1CCCCC1	264322402	XZZSICSDCRCOCS-CQSZACIVSA-N	306.410	1.297	50	20	DDGD	
O=C(NNC(=O)C1CC(OCc2ccccc2)C1)NC1CC1	369976970	MMSQFNIJCHJXTC-UHFFFAOYSA-N	303.362	1.475	50	20	DDGD	
CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)c1cccc(OC)c1O	274988890	LSRYLAGDCDESMV-JTQLQIEISA-N	323.393	1.329	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cccnc2OC(C)C)n1	274748521	BDWZLRAATOJPFU-UHFFFAOYSA-N	318.337	1.816	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C2(C)COC2)ccc1OC(C)C	272829068	MNYQBYBVQHXZRD-UHFFFAOYSA-N	322.361	1.280	50	20	DDGD	
NC(=O)Cc1cccc(OS(=O)(=O)CCCCCl)c1	275579333	QBVFRUPMGLNBRL-UHFFFAOYSA-N	305.783	1.442	50	20	DDGD	
C[C@@H]1C[C@H](CNC(=O)NNC(=O)Cc2ccccc2F)CCO1	271323261	BHXCGZTZYULPBK-VXGBXAGGSA-N	323.368	1.514	50	20	DDGD	
CCCC(=O)N1CCC[C@@H](C(=O)NNc2ncccc2C)C1	276674842	DOGPQTZNKPIFLB-CYBMUJFWSA-N	304.394	1.872	50	20	DDGD	
CC(C)(C)C(=O)NC1CCC(C(=O)NNc2cccnn2)CC1	279624553	BFQXPTASNISBHM-UHFFFAOYSA-N	319.409	1.641	50	20	DDGD	
O=C(NC[C@@H]1C[C@H]2CC[C@H]1C2)NNc1nc2ccccn2n1	276585149	NPXHNONEYNXOIQ-SRVKXCTJSA-N	300.366	1.792	50	20	DDGD	
Cn1cc(-c2nn(C)cc2C(=O)NNc2cccc(F)c2)cn1	370412197	HZZDJUUEXHXDDE-UHFFFAOYSA-N	314.324	1.717	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2ncccc2F)[C@]12CCCO2	286913089	UMHUPYCXILFSEJ-YWPYICTPSA-N	324.356	1.573	50	20	DDGD	
COC(=O)[C@@H]1CCCCCN1S(=O)(=O)CCCCCl	375252212	FIPWHDLFSZVSAB-NSHDSACASA-N	311.831	1.753	50	20	DDGD	
COc1cccc(NNC(=O)NCC2([S@](C)=O)CCC2)n1	281567005	OJEVQTZSHSTXCZ-NRFANRHFSA-N	312.395	1.018	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCN2C(=O)OC[C@@H]2C1	372520496	FWWMVDSZJJRKRW-DTWKUNHWSA-N	319.199	1.459	50	20	DDGD	
CSSCCNC(=O)N1CCC(N2CCCC2=O)CC1	376943333	BQSUDUJWBKRNKF-UHFFFAOYSA-N	317.480	1.794	50	20	DDGD	
C=C[C@@](C)(CC)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	281182106	JPDBZVZKBMPFOD-KRWDZBQOSA-N	317.389	1.992	50	20	DDGD	
CC(C)NC(=O)Nc1ccccc1C(=O)NNC(=O)N(C)C	299387725	QHRHGQLURNNYGA-UHFFFAOYSA-N	307.354	1.133	50	20	DDGD	
Cc1ncc2n1CC[C@@H](C(=O)NNc1ccc([N+](=O)[O-])cc1)C2	290499128	MDMPFXNYDLDPPW-LLVKDONJSA-N	315.333	1.805	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)c2ccnc(N(C)C)c2)[C@@H]1SC	807972590	NKUQQPJMZCXWIS-OCCSQVGLSA-N	322.434	1.774	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802095670	NOZYCZBREVZNFE-SNVBAGLBSA-N	323.349	1.773	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)Cn2nc(C)cc2C)[C@H]1SC	807954825	DXVYELALGAUFKC-TZMCWYRMSA-N	310.423	1.513	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2snnc2C)cc1	802058961	SBHCGURMZLYUNA-UHFFFAOYSA-N	307.335	1.322	50	20	DDGD	
CC[C@@H]1CCC1=NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1	807949715	LEGVCJZFRBWDQM-LLVKDONJSA-N	323.418	1.843	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)CNC(=O)c2ccco2)CC[C@H]1C	294559162	NGFLGXJXYTVMSH-WOPDTQHZSA-N	321.377	1.229	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1COCCO1	298766775	FOXYLTNUIFQFBY-JTQLQIEISA-N	301.686	1.107	50	20	DDGD	
CCc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)C(=O)NC(C)C	801798491	WHTTWFSFYKXMKW-UONOGXRCSA-N	317.389	1.025	50	20	DDGD	
CCN1C[C@@H](C(=O)Oc2ccc([N+](=O)[O-])cc2OC)CC1=O	299660779	LOVJLFQUGUZMLN-VIFPVBQESA-N	308.290	1.377	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CCn2cc(C)cn2)cc1	802052627	OZHFSXSKUHCDPA-UHFFFAOYSA-N	317.349	1.443	50	20	DDGD	
C[C@H](NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)c1ccsc1	802391692	ZRGJVXWUHSPHLO-CABZTGNLSA-N	317.436	1.190	50	20	DDGD	
Cc1cc(Cl)cnc1NC(=O)C(=O)NNC(=O)C(C)(C)C	291832462	SBRKJYSXNORAFH-UHFFFAOYSA-N	312.757	1.175	50	20	DDGD	
CC(=O)NCC[C@@H]1CCCN(C(=O)NNC(=O)C2CCCC2)C1	808296641	SREUPAWAENCTMD-ZDUSSCGKSA-N	324.425	1.156	50	20	DDGD	
CCS(=O)(=O)C[C@H](C)NC(=O)NNc1cccc(Cl)n1	293112931	UHUCHYKQKUGYPT-QMMMGPOBSA-N	320.802	1.184	50	20	DDGD	
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NNc1ncc(F)cc1F	297756197	CFYGIMKVLHRLSZ-PRHODGIISA-N	311.336	1.469	50	20	DDGD	
O=C(NNc1ncccc1F)c1n[nH]c2ccc([N+](=O)[O-])cc12	804220429	YPOOXJRMPFLLGT-UHFFFAOYSA-N	316.252	1.762	50	20	DDGD	
CCOCC(=O)NN=C1CC[C@H](C(=O)OCC)c2ccccc21	802711044	HHPZKMCRQGZNJS-AWEZNQCLSA-N	318.373	1.984	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)Nc1cccc(NC(=O)NN(C)C)c1	816406230	KKKKFZVIIIKOFH-UHFFFAOYSA-N	322.365	1.565	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)COc1ccc(Cl)cc1	811631853	PTBBQEOIZOKBNM-GFCCVEGCSA-N	323.780	1.880	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)o1	816597348	NWHBBQDETKORGI-UHFFFAOYSA-N	314.257	1.346	50	20	DDGD	
CC(=NNC(=O)COc1cc(C)cc(C)c1)c1cc(CO)on1	812222556	PZJVHWUTJQIIPI-UHFFFAOYSA-N	317.345	1.703	50	20	DDGD	
O=C(NN=C1CCOc2c(Cl)cccc21)C(=O)NC1CC1	814778096	QEMGBKPBDZOLSJ-UHFFFAOYSA-N	307.737	1.221	50	20	DDGD	
CN(NC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1)C1CC1	819641382	UQHDHQVCRFWLHB-LBPRGKRZSA-N	321.808	1.814	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)CCc1ccccc1O)n1cccn1	819878561	OYJAGBGVZVEZIM-GFCCVEGCSA-N	316.361	1.320	50	20	DDGD	
CCOc1nc2sccn2c1C=NNC(=O)Cc1cc[nH]n1	814956275	QHLLUULSYPVZIM-UHFFFAOYSA-N	318.362	1.210	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2cncn2C1)c1cccc(Cl)c1	816806404	ARYLHMBBBHZNSX-LLVKDONJSA-N	318.764	1.560	50	20	DDGD	
Cc1nc(O)nc(O)c1CCC(=O)NNc1ccccc1Cl	817988603	PJDHVJFFQYLTKD-UHFFFAOYSA-N	322.752	1.926	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@]2(C)CC2(F)F)c1	817709600	WVQPOOIATYWDRB-ZDUSSCGKSA-N	313.304	1.300	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1c[nH]c(C(=O)N2CCCC2)c1	728610362	YMRBBNIKOACJNT-UHFFFAOYSA-N	320.393	1.448	50	20	DDGD	
COC(=O)c1ccc(CC(=O)NNC(=O)CC(C)(C)C)cc1	825726780	AZJKFPHCTBFAAU-UHFFFAOYSA-N	306.362	1.599	50	20	DDGD	
Cn1cc([C@@H](O)CNC(=O)/C(C#N)=C\c2ccc(F)cc2)cn1	490840806	HETICABYJIYCPC-GIXCSOPHSA-N	314.320	1.316	50	20	DDGD	
CCN(CCO)NC(=O)[C@H](NC(=O)c1ccc(C)cc1)C(C)C	823833404	AYAYVPUXCHESDN-OAHLLOKOSA-N	321.421	1.095	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCOc1ccc(Cl)c(F)c1	823907587	NJYQLXMBLHBLDR-VIFPVBQESA-N	304.749	1.592	50	20	DDGD	
Cc1cccc(OCCNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	825558476	KTQXNOQARYPOGG-GXTWGEPZSA-N	321.377	1.129	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@H](CO)CC(F)F)cc(C#N)n1C	491008847	JCVFDBPEAHNOTQ-LCKPPEIMSA-N	322.315	1.244	50	20	DDGD	
CC1(C)COCCN1CCNC(=O)NNc1cccc(C#N)c1	728401373	XNPGWYIPSBDKCF-UHFFFAOYSA-N	317.393	1.295	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(C)ccc1C(F)(F)F	825442134	YDGNDNSQTMLVND-UHFFFAOYSA-N	305.256	1.813	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(F)c(C(=O)OC)c2)n(C)n1	823416597	SIEKMYQNEDLKMF-UHFFFAOYSA-N	320.324	1.665	50	20	DDGD	
CC[C@H](C)[C@H](C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	825050454	JRMPXJILKAEPGM-UWVGGRQHSA-N	316.365	1.310	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)OC(C)(C)C)c(F)c1	495514484	UTLYTMHOLPSETH-UHFFFAOYSA-N	312.297	1.782	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1ccc(C(=O)O)cc1	825798247	FCKUKXMQDCTKQY-UHFFFAOYSA-N	300.318	1.499	50	20	DDGD	
CC(C)(CCC(=O)NNc1cc(C#N)cc(Cl)n1)[N+](=O)[O-]	827650256	UUFAFMIBBZRUDX-UHFFFAOYSA-N	311.729	1.885	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(C)nc1Br	495623586	AVIBQRHPMNNUOW-UHFFFAOYSA-N	302.128	1.496	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1	822548258	ZMTJWIIUSBVMSE-MNOVXSKESA-N	308.363	1.166	50	20	DDGD	
C#CCCCC(=O)NN[C@H](C(=O)NC1CC1)c1ccc(F)cc1	901642935	DGGJNAOHODQFSB-INIZCTEOSA-N	317.364	1.570	50	20	DDGD	
CC(C)(C)NC(=O)c1cccc(NCc2ccc(B(O)O)o2)c1	585012892	HXZGTCYUMIGPCL-UHFFFAOYSA-N	316.166	1.100	50	20	DDGD	
Cc1ccn(CC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)n1	822201374	DGQQGIJQOUOINM-UHFFFAOYSA-N	314.389	1.950	50	20	DDGD	
CCOc1ccc(NCc2ccc(B(O)O)cc2F)cc1OC	585012373	WEJNVSZJBFVOPN-UHFFFAOYSA-N	319.141	1.525	50	20	DDGD	
COC(=O)NNC(=O)Nc1nc(-c2ccc(OC)cc2)ns1	495998240	NGSRMPDVMVYCAP-UHFFFAOYSA-N	323.334	1.606	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)COc1cc(Cl)ccc1Cl	823983669	ZDNHRZURMKEVCQ-MRVPVSSYSA-N	307.177	1.716	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)c(O)c1OC	901259913	UGHLUDZIOCRCKX-MWLCHTKSSA-N	308.334	1.285	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2ccc(O)c(F)c2)n1	739060033	WGNHINZHNZFVBF-UHFFFAOYSA-N	307.285	1.156	50	20	DDGD	
Cc1ccc(O)c(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1	826291365	BVGTZVWBCVUJLU-UHFFFAOYSA-N	310.317	1.638	50	20	DDGD	
Cc1ccccc1C=NNC(=O)c1cccc(-c2nn[nH]n2)c1	737420349	GLBSCQXBOMVKHE-UHFFFAOYSA-N	306.329	1.939	50	20	DDGD	
Cc1cc(NNC(=O)c2cn(C)nc2-c2cccnc2)nc(C)n1	736716765	MSBPSWWQIPZHEF-UHFFFAOYSA-N	323.360	1.646	50	20	DDGD	
C=CCOc1ccc(C=NNC(=O)c2cnn(C)c2)cc1OC	735411143	NVKXMWCPBJIVBA-UHFFFAOYSA-N	314.345	1.757	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NNc1ncccc1F	497202046	IVQSYXJJDGDGQW-WCBMZHEXSA-N	310.329	1.577	50	20	DDGD	
CN1C(=O)CCC[C@H]1C(=O)NNc1cc(F)c(F)c(F)c1	907094816	IZXYJJZLZSLGQW-JTQLQIEISA-N	301.268	1.558	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H](C)CC(=O)O)c1C	832971250	SMYTXBDFLBZEEH-VIFPVBQESA-N	309.391	1.732	50	20	DDGD	
O=C(CN1Cc2ccccc2C1=O)NNc1ncccc1Cl	734245665	CEVBKSQOXRLTME-UHFFFAOYSA-N	316.748	1.834	50	20	DDGD	
C/C(Cl)=C/C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	908323114	OLYBNGXGYVYTFP-HJWRWDBZSA-N	317.798	1.523	50	20	DDGD	
C[C@]1(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1Br	906498541	KMGYJQHXQAPKJC-CABZTGNLSA-N	322.166	1.979	50	20	DDGD	
C[C@H](N)C[C@H](C)NC(=O)NNC(=O)C(C)(C)c1ccccc1	831212356	NYRHKRVRVPQTPO-RYUDHWBXSA-N	306.410	1.420	50	20	DDGD	
C[C@@H]1COc2ccccc2[C@@H]1NCc1ccc(B(O)O)cc1F	585034252	GVBFHLVREXXFIP-PIGZYNQJSA-N	315.153	1.365	50	20	DDGD	
COC[C@@H](OC)C(=O)NNc1ccc(OCC(F)(F)F)cc1	830810293	LEFJSCKAGBOQGC-LLVKDONJSA-N	322.283	1.732	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2c[nH]nc2-c2cccnc2)n1	839399454	ONJGZXYZOJQISP-UHFFFAOYSA-N	323.360	1.435	50	20	DDGD	
C[C@]1(C(=O)N2CCC(CCC(N)=O)CC2)C[C@@H]1Br	907191744	WSDNOZMMXGFROB-GWCFXTLKSA-N	317.227	1.664	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)COc1cc(C)cc(C)c1	732528080	QSTIANSQUWZNKT-UHFFFAOYSA-N	312.391	1.219	50	20	DDGD	
N#Cc1ccc([C@@H](NNC(=O)c2cccc(C#N)c2)C(=O)O)cc1	739110412	QASWEHZIXGTBGP-OAHLLOKOSA-N	320.308	1.490	50	20	DDGD	
C[C@@]1(C(=O)N[C@H]2c3ccccc3C[C@H]2O)C[C@@H]1Br	907067712	JBBPDXWMLKXNQB-OWTLIXCDSA-N	310.191	1.934	50	20	DDGD	
C[C@H](CNC(=O)[C@]1(C)C[C@H]1Br)N1CCCCC1=O	907647941	ORJLBXGWSCUQPL-GIPNMCIBSA-N	317.227	1.677	50	20	DDGD	
COc1ccc(COCCC(=O)NNC(=O)NCC2CC2)cc1	736072389	IELDYNFWJGDZNP-UHFFFAOYSA-N	321.377	1.342	50	20	DDGD	
O=C(O)Nc1ccc(C(=O)NNc2ncccc2[N+](=O)[O-])cc1	832837918	AXLOMUKRLCLJPU-UHFFFAOYSA-N	317.261	1.837	50	20	DDGD	
CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1	585002595	ZWUXTPIAKFFJOQ-FZMZJTMJSA-N	307.174	1.450	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCC[C@@H](O)C2CCCC2)cn1	831400906	FUIYDOCEIRXQKJ-CKNOQMABSA-N	302.378	1.384	50	20	DDGD	
CN(NC(=O)C1(C(=O)OC(C)(C)C)CCCCCC1)C(N)=O	831519334	MGQOMNIQUIRKDS-UHFFFAOYSA-N	313.398	1.710	50	20	DDGD	
C[C@@]1(C(=O)Nc2csc(C(N)=O)c2)C[C@H]1Br	913720169	BZABXFBNENLFQH-GMSGAONNSA-N	303.181	1.959	50	20	DDGD	
C[C@@H](OC[C@H]1CCCO1)C(=O)NNc1cccc(C(=O)O)c1	833537259	ZEIRHJGUSLYWDV-ZWNOBZJWSA-N	308.334	1.412	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCc1coc2ccccc12	734009995	IEASUSQOXVPEAP-UHFFFAOYSA-N	324.340	1.901	50	20	DDGD	
CON1CCC(=NNC(=O)c2cn(C)c3ccccc23)CC1	834934950	WRVFHQZQGARTSB-UHFFFAOYSA-N	300.362	1.921	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)[C@@H]2CCCCO2)cc1O	833778886	KUECDSQDDBAEAV-OWNNVSBGSA-N	320.345	1.131	50	20	DDGD	
CN(C)c1ccc(CNC(=O)NNc2cncc(Cl)n2)cn1	916444255	PFJMYLWDFBRBGI-UHFFFAOYSA-N	321.772	1.417	50	20	DDGD	
CO[C@H]1CN(S(=O)(=O)c2ccc(CCl)cc2)CCO1	914415983	DNJQSDTXNVTNAB-GFCCVEGCSA-N	305.783	1.419	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccccc2Cn2cccn2)n1	741139389	PJORVGMSJCDNOS-UHFFFAOYSA-N	324.344	1.487	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1	910162034	BZBSVJUAJQIPJA-XJKSGUPXSA-N	323.412	1.524	50	20	DDGD	
CN(C)CCn1nccc1C(=O)NNc1ccnc(Cl)c1	912394240	DJNVADJWZKYJJK-UHFFFAOYSA-N	308.773	1.250	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	843652730	KUFOGIMQDBUFOJ-UBSZDFHZSA-N	324.396	1.867	50	20	DDGD	
CNC(=O)NC(=O)[C@H](C)N(C)CCO[Si](C)(C)C(C)(C)C	844346436	NKIUGGHKUXUMFI-NSHDSACASA-N	317.506	1.784	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@H]1CCN2CCC[C@H]2C1	916572769	DWAUYCGZOILKDF-RYUDHWBXSA-N	320.368	1.397	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@H]2C[C@]2(C)c2ccccc2)cn1	743641085	FPTMNIWWWUBPKG-XJKSGUPXSA-N	313.361	1.094	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC12CCCC2)c1ccc2c(c1)OCO2	747348880	UVVHXBVGXRPASA-NSHDSACASA-N	302.330	1.757	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1scnc1C(C)(C)C	843651378	CHUCSMDXVZHXJH-DTWKUNHWSA-N	311.407	1.627	50	20	DDGD	
COC(=O)c1ccccc1C=NNC(=O)NCC(F)(F)F	917551236	HFJGQVVDODIYBL-UHFFFAOYSA-N	303.240	1.669	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1C[C@@H]2[C@H](C1)C2(F)F	846711337	LCJFBSMQPXHZHI-AOOOYVTPSA-N	311.288	1.247	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cn(-c2ccccc2)cn1	844619110	AZLOWUDUZLAQFH-YPMHNXCESA-N	314.345	1.058	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cc2cnccc2o1	844569656	PUWJSIIRUAEQGF-LBPRGKRZSA-N	316.361	1.246	50	20	DDGD	
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccncc1	741772851	DHZUVQOIOGFUPI-UHFFFAOYSA-N	300.274	1.849	50	20	DDGD	
CCC(=NNC(=O)Cc1csc(N2CCOCC2)n1)C1CC1	741162548	ABQCFYZXPSFVFZ-UHFFFAOYSA-N	322.434	1.814	50	20	DDGD	
O=C(O)Nc1ccccc1C(=O)NNC(=O)CCc1ccco1	740044896	AVZASEIQDYGCSR-UHFFFAOYSA-N	317.301	1.763	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)C2CCCC2)cc1OC	913162477	OUZGKQJTIWUZCL-UHFFFAOYSA-N	306.362	1.584	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1nc(O)c(C)c(CC)n1	849921895	YDEIZLTVEWZRDM-MRVPVSSYSA-N	312.395	1.091	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H](C)Oc2ccc(F)cc2)n(C)n1	841612123	YXNAQNDSAKUWHV-LLVKDONJSA-N	304.325	1.785	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)C=C2CCCC2)cc1	919598447	WRIJQVPVDAILAN-UHFFFAOYSA-N	316.357	1.800	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCc2ccccc2C1	844619562	HOFGRLBGUJOHLS-GLQYFDAESA-N	302.374	1.364	50	20	DDGD	
O=C(NNc1ccc(Br)c(F)c1)[C@]1(O)CCOC1	840423556	CVSAUEAVBMFXDV-NSHDSACASA-N	319.130	1.183	50	20	DDGD	
COC1(C(=O)NN=C2CCCN3CCCC[C@H]23)CCOCC1	848411335	OCPUXRJXEJFUSP-CQSZACIVSA-N	309.410	1.303	50	20	DDGD	
CN(C)CCNC(=S)NNC(=O)c1cccc2ccccc12	741496337	UULYFOSPRNFGKU-UHFFFAOYSA-N	316.430	1.510	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)NC[C@@]1(C)CCC(=O)N1	922813865	YHLBFBOWLFDURR-CQSZACIVSA-N	310.785	1.943	50	20	DDGD	
CC(C[C@H]1CCCC(=O)N1)=NNC(=O)Cn1nc(C)cc1C	841611682	WJOWYRAKHFRMLM-CYBMUJFWSA-N	305.382	1.051	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)N[C@H]1CC(=O)N(C2CC2)C1	921343484	RRZRDNKMQRRVAS-VIFPVBQESA-N	310.304	1.354	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccsc1Cl	853934163	PTAOVGTZNNEHKF-LURJTMIESA-N	304.755	1.504	50	20	DDGD	
CCN(CCNC(=O)NC[C@]1(C)C[C@@H]1Br)C1CC1	856831125	CEGRNZRIDYTJCL-AAEUAGOBSA-N	318.259	1.943	50	20	DDGD	
NC1(CNC(=O)NNC(=O)Cc2ccc(Cl)cc2)CCCC1	851671973	XHJGXGPLEDRKHD-UHFFFAOYSA-N	324.812	1.484	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=Cc1ccnn1CC1CC1	853314098	NNROXPOMMIEVAV-UHFFFAOYSA-N	322.372	1.634	50	20	DDGD	
CCN(CC)[C@H]1CCN(C(=O)NNC(=O)c2cc(C)cs2)C1	858706314	QKUJNVGOTCUXLH-LBPRGKRZSA-N	324.450	1.827	50	20	DDGD	
C[C@]1(CNC(=O)CN2CCCCCC2=O)C[C@@H]1Br	857405250	YVKZLGUTMSTGIY-GXFFZTMASA-N	317.227	1.679	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@]1(O)CCc2ccccc2C1	855000669	MLURZRARTLPXQC-ZDUSSCGKSA-N	316.279	1.006	50	20	DDGD	
O=C(CSCC(F)(F)F)NNC(=O)c1cccc(F)n1	856423226	ODFMVNOUEFFYGT-UHFFFAOYSA-N	311.260	1.277	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC1(c2cccc(F)c2)CCC1	926470742	GKWVFNOFUCWNSH-UHFFFAOYSA-N	323.368	1.614	50	20	DDGD	
C[S@](=O)c1cccc(NC(=O)NNC(=O)CC(F)(F)F)c1	756525462	NCKWWIUDWXNQRF-NRFANRHFSA-N	323.296	1.529	50	20	DDGD	
CCc1nc(C=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)cs1	755564814	KKRHINAFSWZKAD-UHFFFAOYSA-N	319.346	1.960	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](C(=O)OC(C)(C)C)C(C)C	854927676	OBTKLIOVWXRECQ-SECBINFHSA-N	303.428	1.068	50	20	DDGD	
CC(C)N(C)CCNC(=O)NC[C@@]1(C)C[C@H]1Br	856833404	YNQUPFVMBQDIOQ-ZYHUDNBSSA-N	306.248	1.799	50	20	DDGD	
COC(=O)c1cc(NNC(=O)Cn2ccc(C)n2)ccc1C	857264132	OLAWRKONZGCGMV-UHFFFAOYSA-N	302.334	1.430	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1cccc(OCCF)c1	757678848	IYEFXQJZEIMDGL-UHFFFAOYSA-N	321.312	1.533	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=Cc1cc(F)ccc1O	755618319	KIUIZNQTLDAPDP-UHFFFAOYSA-N	322.321	1.008	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CC(F)(F)F)cc2n[nH]cc12	757817468	GQMOLCAWBDJLPL-UHFFFAOYSA-N	315.255	1.976	50	20	DDGD	
Cc1cccc(NNC(=O)C(C)(C)NC(=O)C(F)(F)F)n1	862520642	IYXZLPRIMGNKAJ-UHFFFAOYSA-N	304.272	1.290	50	20	DDGD	
CCCCNC(=O)NN=Cc1cn(-c2ccc(F)cc2)nn1	863082806	SLOITXUACVJARO-UHFFFAOYSA-N	304.329	1.840	50	20	DDGD	
COCC(=O)NN=C1C(=O)Nc2ccc(-c3ccccc3)cc21	761821635	KTUGAVAUMYVSFO-UHFFFAOYSA-N	309.325	1.772	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1sccc1O	769780458	AFGBFNQWNPCNST-JTQLQIEISA-N	311.407	1.262	50	20	DDGD	
Cc1cccc(NNC(=O)c2ccc(N3CCOCC3)nc2)n1	862524504	MTSOMQHJVPOMRJ-UHFFFAOYSA-N	313.361	1.379	50	20	DDGD	
C[C@@H](c1ccccc1F)[C@H](O)C(=O)NNC(=O)CC(F)(F)F	869020174	HXGUDGLAIDYWSK-CPCISQLKSA-N	322.258	1.390	50	20	DDGD	
CCNC(=O)N(C)N=Cc1ccc(N2CCOCC2)c(F)c1	769592136	NRJHKOZYYGNISH-UHFFFAOYSA-N	308.357	1.658	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(F)c(NC(C)=O)c1	764470385	YQMQPXNNPYJXBB-UHFFFAOYSA-N	319.296	1.340	50	20	DDGD	
CN1CCC[C@H]1C(=O)NNc1nc2ccccc2[nH]c1=S	862294121	YUTXQGAGNDNUKQ-NSHDSACASA-N	303.391	1.830	50	20	DDGD	
C[C@H](NNC(=O)c1cc(=O)c2ccccc2n1C)C(F)(F)F	869376211	CPWYARGMRFPOEF-QMMMGPOBSA-N	313.279	1.724	50	20	DDGD	
COc1ccc(C(=O)NNc2nccnc2OC)c(Cl)c1	764485340	UZVLDZZDTOYKFD-UHFFFAOYSA-N	308.725	1.904	50	20	DDGD	
COc1ccc(NC(C)=O)cc1NC(=O)NNc1cnccn1	769937789	IWQAQZDQMOWYQT-UHFFFAOYSA-N	316.321	1.592	50	20	DDGD	
CSc1ccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)cn1	764202006	JFSPVBHUBJSCPS-UHFFFAOYSA-N	324.406	1.326	50	20	DDGD	
O=C(NCc1ccc(F)cn1)NNc1cccc([N+](=O)[O-])c1	764375859	SUAGMHVWECTCFL-UHFFFAOYSA-N	305.269	1.955	50	20	DDGD	
CC(C)N1CC[C@H](NC(=O)[C@H](Br)C(C)(C)C)C1=O	768149059	VBDJLCCBBHDIGJ-UWVGGRQHSA-N	319.243	1.922	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCCc1cnccn1	768388026	DCDLDNNCGHPLOF-JTQLQIEISA-N	300.200	1.945	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCCC(C)(C)OC)cc1	876074574	PKWODSZYTCFKEA-UHFFFAOYSA-N	323.393	1.843	50	20	DDGD	
CC1(C)CC(=NNC(=O)c2cccc(S(C)(=O)=O)c2)CCO1	872341466	BAJHNGZLRNUOLD-UHFFFAOYSA-N	324.402	1.765	50	20	DDGD	
CSc1nc(C)c(CCC(=O)NNc2ccn(C)n2)c(C)n1	1116837834	NBMVPPNHMRPAHG-UHFFFAOYSA-N	320.422	1.625	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCN(C)C2=O)c1C	776110738	DLOGSIXZVMPKFT-NSHDSACASA-N	320.418	1.099	50	20	DDGD	
CCOC(=O)c1cc(NC(=O)NNc2ncccn2)cn1C	775667087	ODNIFCOAWQXSTM-UHFFFAOYSA-N	304.310	1.140	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2CCc3cc(O)ccc3C2)nn1	775075981	SOGHMKCQSODDNZ-ZDUSSCGKSA-N	313.361	1.674	50	20	DDGD	
CCn1cc(C(=O)C(=O)OC[C@H](C)CBr)cn1	770411683	NCPOPJAYVNEKJM-MRVPVSSYSA-N	303.156	1.660	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1ccc2c(c1)CCC2	771952102	VPKUMBYDCPEWKS-LLVKDONJSA-N	318.373	1.207	50	20	DDGD	
C[C@H](CN1CCCCCC1)C(=O)NN=CC1CCN(C)CC1	872337019	RJRZSTVSTFLVKB-OAHLLOKOSA-N	308.470	1.942	50	20	DDGD	
O=C(Cn1cc(C2CC2)nn1)NNc1c(F)cc(F)cc1F	1119976339	JDRKFUFVAPRAKO-UHFFFAOYSA-N	311.267	1.716	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccccc1C(C)C	1118463467	SIBUFGGEKWMYGE-LLVKDONJSA-N	306.362	1.913	50	20	DDGD	
O=C(NN=Cc1ccc(OC(F)F)cc1F)C(=O)NC1CC1	872337902	PPSWKLWZDGKRJJ-UHFFFAOYSA-N	315.251	1.156	50	20	DDGD	
C[C@@H]1CN(C[C@@H](C)C(=O)NN=Cc2ccc(F)nc2)C[C@@H](C)O1	777429439	KUUFSNAPJKWGNU-JHJVBQTASA-N	322.384	1.416	50	20	DDGD	
O=C(CN(C1CCCC1)C1CC1)NNC(=O)c1cccs1	777583197	OXNGWYWQVXQUGW-UHFFFAOYSA-N	307.419	1.916	50	20	DDGD	
C[C@H](CCNC(=O)NNC(=O)c1cccnn1)CC(C)(C)C	883594606	LXLFBHZWPPXKSA-LLVKDONJSA-N	307.398	1.883	50	20	DDGD	
O=C(NCCNS(=O)(=O)CCCCl)c1cccs1	881794752	MLEMQUNYWHOCTQ-UHFFFAOYSA-N	310.828	1.026	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N(CC(F)F)C1CCC1	884438786	KVNSNEISIUVPBN-SCZZXKLOSA-N	305.325	1.272	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCc2cnn(CC3CCC3)c2)cn1	887355853	GNFFNQLEBKJKID-BNCCVWRVSA-N	324.388	1.640	50	20	DDGD	
CC(C)CCO[C@H](C)C(=O)NNc1ccc(-n2ccnc2)nn1	788181054	KDDCTMRFKOMFMI-GFCCVEGCSA-N	318.381	1.557	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)n1	780708362	DFRXDIYTENGXNV-UHFFFAOYSA-N	319.340	1.626	50	20	DDGD	
Cc1cccc2c1OC[C@@H](NS(=O)(=O)CCCCl)C2	882211426	VXZFFMTWCDNBAM-LBPRGKRZSA-N	303.811	1.847	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)n1cc(-c2ccccc2F)nn1	881292483	BYXNGQCHKRFRGA-VIFPVBQESA-N	305.313	1.203	50	20	DDGD	
CC[C@H](C)[C@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	780235615	CFMHOAZOORKCPD-STQMWFEESA-N	320.389	1.981	50	20	DDGD	
CN(C)CCn1nccc1C(=O)NNc1cc(F)ccc1F	885141291	BBZMUPDKJNWMMG-UHFFFAOYSA-N	309.320	1.480	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@H](O)c1c(F)cccc1F	881929284	BBZWYJMHFWMXNT-JTQLQIEISA-N	313.753	1.547	50	20	DDGD	
COc1nn(C)cc1C(=O)NC[C@]1(C)C[C@H]1Br	883973770	DQOSIWZSUMKDKS-KCJUWKMLSA-N	302.172	1.332	50	20	DDGD	
C[C@H]1CC[C@@H](NC(=O)NNc2ccccc2S(C)(=O)=O)C1	780787950	UAGAROZXYFPHSX-WDEREUQCSA-N	311.407	1.905	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)Cc2ccc3ccccc3c2)CO1	784144536	JPIJKJOVAZKGNI-LRDDRELGSA-N	312.369	1.955	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCOC1CCSCC1	899070961	MLHQHJZVNNZWBN-UHFFFAOYSA-N	317.455	1.665	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc2c(c1)OCO2	783450310	HJZRTGQHNDIKCT-JBLDHEPKSA-N	302.330	1.613	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)C1CCN(C(C)=O)CC1	780730450	SQHRBCYXMNBLNR-UHFFFAOYSA-N	319.361	1.175	50	20	DDGD	
COC(=O)COc1ccc(C=NNC(=O)NCC2CC2)cc1	782224591	PLTCBHKRTZGLFX-UHFFFAOYSA-N	305.334	1.282	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2c(F)cc(F)cc2F)C(=O)O1	896384406	ZELBRMGDKBMIJG-ANLVUFKYSA-N	303.240	1.434	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2ccccc2C(N)=O)ccn1	788715224	DAWPEODLMNVBJT-UHFFFAOYSA-N	311.345	1.010	50	20	DDGD	
CCn1cc(CC(=O)NNc2ccc(OC)cc2[N+](=O)[O-])cn1	780928497	VCECLQDMSJUHRI-UHFFFAOYSA-N	319.321	1.506	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H]1CCC[C@H](C(N)=O)C1	798310493	PAYOSRUCZGIPAF-NWDGAFQWSA-N	318.377	1.439	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1c(Cl)cccc1OC	790544285	VJWMHRXIJVDEOE-UHFFFAOYSA-N	315.757	1.216	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@H]1CCC(F)(F)C1	795087184	RJLOWWPGQMACEO-JTQLQIEISA-N	300.280	1.951	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)C(F)(F)C1(O)CCC1	798312070	RQAYBYPOZVBBPL-UHFFFAOYSA-N	313.304	1.698	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Cc1ncccc1F	792797363	AXYSBCHZOPEXSV-UHFFFAOYSA-N	317.320	1.162	50	20	DDGD	
C[C@@H]1COC(=O)C1=NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	794920615	QIMDYACVHPVDQU-MRVPVSSYSA-N	316.292	1.495	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)OCCc2cncn2C)cc(C#N)n1C	793248963	ASAGPNFGSJMPBG-NSIKDUERSA-N	323.356	1.632	50	20	DDGD	
C[C@@H]1OCC[C@@]12CN(C(=O)NNC(=O)C(C)(C)C)C[C@@H](C)O2	790508369	IDCBICPBBHHQNX-JRPNMDOOSA-N	313.398	1.042	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc3nc(C)n(C)c3c2)n1	793014190	VSJHEWGPTDJUAE-UHFFFAOYSA-N	312.333	1.437	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NC[C@@H]2CCCCO2)nn1	1318944516	HOPHDUVXSMNEIJ-NSHDSACASA-N	307.398	1.969	50	20	DDGD	
CC(C)NC(=S)NNC(=O)Cc1ccccc1OC(F)F	1318932472	XRPDEFYQUFOKCU-UHFFFAOYSA-N	317.361	1.734	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)N[C@@H]1C[C@H]1C1CCCCC1	1325679191	DEICSIDMARQTPQ-UONOGXRCSA-N	308.426	1.285	50	20	DDGD	
CCn1ccc(CNC(=O)NNc2ccc(C(C)(C)C)nn2)n1	1325656925	ZCUSVHUMUSEOIK-UHFFFAOYSA-N	317.397	1.817	50	20	DDGD	
COc1ccc(C(=O)NN[C@@H](Cc2ccccc2)C(N)=O)cc1	1323848007	VJNNBBJEURFHGL-HNNXBMFYSA-N	313.357	1.026	50	20	DDGD	
Cc1ncccc1C(=O)NNC(=O)c1cncn1-c1ccccc1	1326984682	WMPZRNJYZXAWLM-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
C[C@@H](C(=O)NNc1nncc(N)c1Cl)N1[C@H](C)CC[C@H]1C	1320803623	MXZVLNBDCOVLIE-HLTSFMKQSA-N	312.805	1.417	50	20	DDGD	
COc1ncc(C(=O)NNc2ccc(C(C)(C)C)nn2)cn1	1323001503	MBQDKVLLZHJXFH-UHFFFAOYSA-N	302.338	1.330	50	20	DDGD	
Nc1cnnc(NNC(=O)Cc2cnccc2Cl)c1Cl	1334794128	JMFMNORUCGISEN-UHFFFAOYSA-N	313.148	1.446	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccns2)c1C	1335397955	RDVFOWUNFKVBOG-LLVKDONJSA-N	319.386	1.988	50	20	DDGD	
CS(=O)(=O)CCCNC(=O)NNc1cccc(F)c1Cl	1349320828	HZODGBIIKWHXHS-UHFFFAOYSA-N	323.777	1.540	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(F)cc1)[C@H]1CN(C)CCN1C	1263778670	PALOXNQMNCIVJU-SMDDNHRTSA-N	309.389	1.086	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNC(=S)NC(C)C)c1C	1350572824	DSQNEVMGJCDABM-UHFFFAOYSA-N	310.379	1.729	50	20	DDGD	
COc1c(Br)cccc1C(=O)NNC(=O)C(C)C	1527382132	DBLIZKCGRABBNS-UHFFFAOYSA-N	315.167	1.875	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2ccc(C(=O)O)o2)n1	1605435769	OOYCWLWDGYJHDW-UHFFFAOYSA-N	319.321	1.371	50	20	DDGD	
CCOC(=O)N(C)CCCC(=O)NNc1ncccc1C(=O)O	1603801042	SRSRJKKVZDJTJW-UHFFFAOYSA-N	324.337	1.091	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2c[nH]nc2-c2cccnc2)c1	1608936455	UOGKNFIYGUIEIL-UHFFFAOYSA-N	323.312	1.927	50	20	DDGD	
Cc1[nH]nc(Cl)c1C(=O)NNc1cccc(F)c1C(=O)O	1600670452	HNRBTGJVWTZMDD-UHFFFAOYSA-N	312.688	1.966	50	20	DDGD	
C[C@H](CC(=O)O)NC(=O)NNC(=O)c1cc2ccccc2o1	1603125016	BUIJCIYIVANIHO-MRVPVSSYSA-N	305.290	1.240	50	20	DDGD	
Cc1nn(C)c(Cl)c1C(=O)NNc1ncccc1C(=O)O	1605433384	HNKJQQHDGWBTIP-UHFFFAOYSA-N	309.713	1.232	50	20	DDGD	
Cc1ncc(NC(=O)NNc2ncc(F)cn2)cc1C(=O)O	1600743740	LJVPEWBRYFUZAR-UHFFFAOYSA-N	306.257	1.166	50	20	DDGD	
O=C(NNc1cccc(F)c1C(=O)O)c1cncnc1C1CC1	1601560525	LLTLKVUGBXXQIK-UHFFFAOYSA-N	316.292	1.948	50	20	DDGD	
O=C(CNC(=O)c1ccccc1)NNc1cccc(C(=O)O)c1	1601323701	DQAANKYJLYBPAT-UHFFFAOYSA-N	313.313	1.258	50	20	DDGD	
CCC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](Cl)CC	1800074003	GSNKKMDWTYQQKX-USZNOCQGSA-N	314.813	1.621	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)[C@]12CC[C@H](CC1=O)C2(C)C	1548642286	JVBGMGAENBJECM-PSLIRLAXSA-N	321.402	1.608	50	20	DDGD	
CCOc1ccccc1C=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549315389	MXQNKGFHMDLIFM-GOEBONIOSA-N	317.389	1.399	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1cnc(C)s1	1549321406	SMEHWKLCZXPPSK-NWDGAFQWSA-N	308.407	1.155	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H]2CCCO[C@@H]2c2ccnn2C)no1	1549316862	ULMWWMXWVSKJEK-OCCSQVGLSA-N	317.349	1.335	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@@H]2C=NNC(=O)[C@H]2CCCO2)cn1	1552452421	KZOIODGDZCWFOZ-MRVWCRGKSA-N	306.366	1.169	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](O)CCl)CC1	1826586162	CIOIYJSSGYIDJH-UONOGXRCSA-N	316.829	1.226	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1Cc2c(F)cc(C)cc2N1	1574942496	AEKMTVRFTQTGNR-GFCCVEGCSA-N	308.382	1.152	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H](F)[C@H]2CCNC2)cc1C	1579723110	ZDCDLWPGIRWVJQ-AAEUAGOBSA-N	324.425	1.569	50	20	DDGD	
Cc1cc(OCC(=O)NNC(=O)[C@@H]2CCN2)ccc1C(C)C	1579639424	JGEZBVCEBPDQFO-AWEZNQCLSA-N	305.378	1.007	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)CNCC3)cn1	1579959583	SQKDNTMPCMCPPR-MKMNVTDBSA-N	307.357	1.611	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cc(C)[nH]n2)C1	1844769381	CQVNWKZQDFGJDZ-NSHDSACASA-N	324.812	1.553	50	20	DDGD	
CC(C)(C)c1nnc(C(=O)NNc2ncccc2C(=O)O)s1	1588748265	DEBJZZVWQBIMCO-UHFFFAOYSA-N	321.362	1.686	50	20	DDGD	
O=C(NNC(=O)[C@@H]1NCC[C@H]2CCCC[C@@H]21)c1cccc(F)n1	1580736613	ZIUQDCQMJGWIMU-UHIISALHSA-N	320.368	1.150	50	20	DDGD	
CCOC1CC2(C1)C[C@H]2C(=O)NNc1ccc(C(=O)O)cn1	1596848872	DNHYCWGLHPDNEL-VTWZXRTESA-N	305.334	1.428	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)C1(C)CCOCC1	1599375968	JTTGGYVXPAJTFC-UHFFFAOYSA-N	308.334	1.653	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)[C@@H]2CCC=CO2)C1	1844245529	WHOMNULSVVFQEM-QWRGUYRKSA-N	316.760	1.417	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1cc(COC)cc(C(=O)O)c1	1596509664	ULSLVXXMXPLDTC-WQLSENKSSA-N	304.302	1.914	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2ccccc2C(=O)O)c(C)o1	1598919483	DEQPWTHYVHMXCG-UHFFFAOYSA-N	318.285	1.830	50	20	DDGD	
COC[C@]1(C(=O)O)CCCN1C[C@@H](CBr)C1CC1	1599193402	LDGCEUDFQHKAHG-YPMHNXCESA-N	320.227	1.973	50	20	DDGD	
CO[C@@H](CC(=O)NNc1ncccc1C(=O)O)C(F)(F)F	1593939077	ZZXNSEOJSLAFFZ-ZETCQYMHSA-N	307.228	1.190	50	20	DDGD	
COc1nn(C)cc1C(=O)NNc1ccc(C(=O)O)c(F)c1	1599739692	UXNKINNATMMSCM-UHFFFAOYSA-N	308.269	1.023	50	20	DDGD	
C[C@@H](Sc1ccccc1C(=O)NNC(=O)N(C)C)C(=O)O	1593672725	WXKIBYZUKGQQII-MRVPVSSYSA-N	311.363	1.168	50	20	DDGD	
CC(C)(CNC(=O)NNc1ccc(Cl)cn1)CC(=O)O	1590726241	CDWRIOXGJUHBST-UHFFFAOYSA-N	300.746	1.862	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=Cc2cn3ccnc3s2)c1	1776096087	KFBNSBQGIAHYGT-UHFFFAOYSA-N	314.326	1.858	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C/c1cccn2c(C(=O)O)cnc12	1776129756	VKICKORSMMQUKD-XYOKQWHBSA-N	312.329	1.856	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(C)=O)[C@H]2C1	1786618524	XKJHBOYKKNIXSA-CYDGBPFRSA-N	302.802	1.003	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1	15793965	WEIGTWWXMRJSFE-UHFFFAOYSA-N	304.306	1.340	50	20	DDGD	
Cc1cccc(C)c1CNC(=O)NNC(=O)Cc1ccncc1	161894863	CHEKVSISQJPASR-UHFFFAOYSA-N	312.373	1.772	50	20	DDGD	
O=C(Cn1cc([N+](=O)[O-])ccc1=O)NNc1ccccc1Cl	158335621	MNQYPTAAQJGLAR-UHFFFAOYSA-N	322.708	1.553	50	20	DDGD	
CCCCCCCC(=O)NNC(=O)CNC(=O)c1cccnc1	160561973	LKELBDMOHAKYJO-UHFFFAOYSA-N	320.393	1.319	50	20	DDGD	
O=C(NC[C@H](O)c1ccsc1)NNC(=O)c1ccccc1	153501973	YTMCYYPIGNOJBW-LBPRGKRZSA-N	305.359	1.426	50	20	DDGD	
N#Cc1ccc(NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1	155342018	NDKJJOROBSYBQR-UHFFFAOYSA-N	312.285	1.989	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNc2cc(C#N)cc(Cl)n2)c1	155877853	XXPIXXHHDXXUAF-UHFFFAOYSA-N	303.709	1.894	50	20	DDGD	
Cc1c(F)cccc1S(=O)(=O)NNC(=O)OC(C)(C)C	154822340	BTYBNGNRJRYQMG-UHFFFAOYSA-N	304.343	1.852	50	20	DDGD	
Cc1nc(N(C)C)sc1C(=O)NNC(=O)OC(C)(C)C	156584277	GYXUAXQAYJEGGG-UHFFFAOYSA-N	300.384	1.687	50	20	DDGD	
O=C(CNC(=O)OCc1ccccc1)NNc1ccccn1	181167850	MQEUQOOLNNHETN-UHFFFAOYSA-N	300.318	1.451	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)CCc1cn[nH]c1	863933814	WSJWDYAUWZMDAW-UHFFFAOYSA-N	302.334	1.642	50	20	DDGD	
CC[C@H](C)NC(=O)CCNC(=O)NNC(=O)OC(C)(C)C	56917323	NUQOIJYAMTYMAL-VIFPVBQESA-N	302.375	1.030	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc2cc(Cl)ccc2[nH]1	109860803	PMMXQHCMNIHWGS-UHFFFAOYSA-N	317.736	1.928	50	20	DDGD	
COc1ccsc1C(=O)NNC(=O)c1cccc(C#N)c1	105962108	DNIBNUUDACXPJD-UHFFFAOYSA-N	301.327	1.703	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1ccc(Cn2cccn2)cc1	28194335	NRYUVQLVDUGWBX-FOWTUZBSSA-N	310.357	1.992	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1	53576395	RPFTVVFYPNRJGU-UHFFFAOYSA-N	312.238	1.202	50	20	DDGD	
CNC(=O)NNC(=O)c1cnn(-c2cccc(Cl)c2)c1C	56376902	PWBCOMGUNMEUNM-UHFFFAOYSA-N	307.741	1.408	50	20	DDGD	
C[C@H]1CCCN(C[C@@H](C)NC(=O)NNC(=O)c2ccccc2)C1	56785689	BGWPKIZQRASPRY-UONOGXRCSA-N	318.421	1.751	50	20	DDGD	
CNC(=O)[C@H](C)CN(C)/C(=C/C#N)c1ccc([N+](=O)[O-])cc1	177367335	HZPAAUYFJZZDKU-GYBQTFJISA-N	302.334	1.773	50	20	DDGD	
O=C(Cn1c(=O)oc2ccccc21)NNc1nccnc1Cl	114896932	XISHPZIEQXLFCK-UHFFFAOYSA-N	319.708	1.181	50	20	DDGD	
O=C(CSC(F)(F)F)NNC(=O)Cc1ccccc1F	66784788	BGXALJVDZOAGFW-UHFFFAOYSA-N	310.272	1.769	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1cn2ccccc2n1)C1CC1	175198664	LYZXYAKQLFVYNA-SNVBAGLBSA-N	301.350	1.006	50	20	DDGD	
CCN1C[C@H](C(=O)NNc2cc(F)c(F)c(F)c2)CC1=O	175514551	FQOXAZKNBBNOMJ-SSDOTTSWSA-N	301.268	1.415	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)NCc1ccoc1	60996937	DCYYBCYHLFKDBS-UHFFFAOYSA-N	303.318	1.579	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2cccc(C(N)=O)c2)c1	126135799	NFGINMBBQSFDHF-UHFFFAOYSA-N	315.720	1.462	50	20	DDGD	
COCc1ccc(C(=O)NNC(=O)c2ccc(C#N)cc2)cc1	61474070	VMGREKBTABEDEJ-UHFFFAOYSA-N	309.325	1.779	50	20	DDGD	
CS[C@@H](CO)[C@H](C)NC(=O)/C(C#N)=C\c1ccc(O)cc1	185862627	VZRFHGKUCBCQME-PEHPHXHYSA-N	306.387	1.528	50	20	DDGD	
C[C@H](CC(=O)NNc1ccncc1)NC(=O)C1CCCCC1	180463261	FLBVNNDOVMWEFG-GFCCVEGCSA-N	304.394	2.000	50	20	DDGD	
Cc1ncc(C(=O)NNc2cccc(S(C)(=O)=O)c2)s1	181157946	QXELCRKVKPLBHW-UHFFFAOYSA-N	311.388	1.612	50	20	DDGD	
N#C/C(=C/c1cn(Cc2cccnc2)nn1)C(=O)NC1CCCC1	181424043	LTVCTAZFCKTCMJ-ZSOIEALJSA-N	322.372	1.687	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](CCO)c1ccc(OC)cc1	123897029	VOBSQJLMCDDGHE-HVCHUGMYSA-N	304.346	1.679	50	20	DDGD	
CSc1ccc(C(=O)NNC(=O)COCc2ccccc2)o1	124353713	FLQGEJRZITYWTQ-UHFFFAOYSA-N	320.370	1.979	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(F)cn2)c1	184060633	HKIAPTHEJMHIFR-UHFFFAOYSA-N	317.320	1.678	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)N1CCc2c(F)cccc21	185811570	WIRZEPLFXKZYQP-UHFFFAOYSA-N	300.293	1.253	50	20	DDGD	
C=CCOc1ccccc1C(=O)NNC(=O)NCc1ccco1	138920866	KKHWBTYORSQCAI-UHFFFAOYSA-N	315.329	1.989	50	20	DDGD	
COCCNC(=O)NNC(=O)c1ccc(Cl)cc1Cl	42843028	LQHRRNYJGGEHMD-UHFFFAOYSA-N	306.149	1.584	50	20	DDGD	
CO[C@@H](C)CCC(=O)NNc1nc2ccccc2c(=O)n1C	183603861	GKHGBRSCYROIDH-JTQLQIEISA-N	304.350	1.192	50	20	DDGD	
CC(C)(NCC(=O)NNC(=O)c1ccccc1)c1nccs1	182666125	IRTIWSWPLJQMTF-UHFFFAOYSA-N	318.402	1.429	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)C[S@](C)=O)cc1	181675910	QKYPWPUVNPXVHX-MZQWOPKNSA-N	320.414	1.875	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc(F)cc2cccnc12	130027744	WTJHYSOFQIMSNM-UHFFFAOYSA-N	313.292	1.480	50	20	DDGD	
ICCN1CCC[C@@H]1CN1CCCC1	190856440	BRCQCZQEASEKEJ-LLVKDONJSA-N	308.207	1.982	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1sccc1-n1cccc1	194443277	HKJMGUJUPJXXPA-UHFFFAOYSA-N	322.390	1.519	50	20	DDGD	
Cn1cc(NC(=O)C(=O)NNc2ccc(Cl)cc2)ccc1=O	131119623	DSMMEFMQQJYTMC-UHFFFAOYSA-N	320.736	1.121	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCn2cc(C)cn2)cc1	80209406	AVKGQUGYRVPCCG-UHFFFAOYSA-N	300.362	1.605	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NC[C@H]1CCCO1	42870274	QRLPZLCGKAXXLE-CYBMUJFWSA-N	321.377	1.137	50	20	DDGD	
C[C@@H](CCc1ccccc1F)C(=O)NNC(=O)c1cnn(C)c1	80356158	ZTVLYLFXGKENFS-NSHDSACASA-N	318.352	1.589	50	20	DDGD	
CCCC(=CC(=O)NNC(=O)C(=O)NC(CC)CC)CCC	92467825	ACKYXYIXYMUQCK-UHFFFAOYSA-N	311.426	1.965	50	20	DDGD	
CC[C@H](C)[C@@H](C)NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	98120446	CMIRWOQLPCWYNL-VHSXEESVSA-N	308.338	1.973	50	20	DDGD	
CCOc1ccc(CCC(=O)NNC(=O)c2ccc[nH]2)cc1	97371308	RFJVEDMBBIVFGN-UHFFFAOYSA-N	301.346	1.807	50	20	DDGD	
O=C(NN=Cc1ccc([N+](=O)[O-])o1)[C@H]1COc2ccccc2O1	252639551	YLPYHIGTTGYBFP-GFCCVEGCSA-N	317.257	1.478	50	20	DDGD	
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NNC(=O)c1ccccc1F	268171910	QTWCLWMNVXGXJU-YGRLFVJLSA-N	320.368	1.252	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)N[C@H](C)c1ccccc1	267189816	OHYFNLOSLDMENX-NEPJUHHUSA-N	309.366	1.130	50	20	DDGD	
Cc1nn(C)cc1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	264907543	ITVWSPLMBZPCMG-UHFFFAOYSA-N	316.405	1.706	50	20	DDGD	
Cn1cc([C@@H]2C[C@H]2C(=O)NN=c2nc(-c3ccccc3)[nH]o2)cn1	363467769	MRRVYVFVNCKPFR-QWHCGFSZSA-N	324.344	1.139	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)O1	268266173	GDGMQEWYFJRQFS-VXGBXAGGSA-N	307.306	1.313	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cc2c(cn1)OCCC2)C1CC1	367782994	JNLRUSHLNLQOQA-VIFPVBQESA-N	320.418	1.314	50	20	DDGD	
CC(C)(C)Oc1cccc(CCC(=O)NNC(=O)C2CC2)n1	268130043	FDFKKIAOUOTQQM-UHFFFAOYSA-N	305.378	1.749	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccccc1-c1nnnn1C(C)C	273225633	UNARKEUYKSRGPX-UHFFFAOYSA-N	319.325	1.314	50	20	DDGD	
O=C(NNC(=O)C1SCCS1)c1cccc([N+](=O)[O-])c1	270452671	JPLLPDVYUSIFAP-UHFFFAOYSA-N	313.360	1.162	50	20	DDGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNC(=O)c2cccc(C)n2)C1	279795761	LCDPUBGDZBLWTJ-CHWSQXEVSA-N	305.378	1.746	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)CCCc2ccccc2)CCO1	271843229	BROPWZLAUGTQFP-UKRRQHHQSA-N	304.390	1.972	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1ccnc(N2CCCC2)n1	272765717	PMCSBYVNBFHEJI-UHFFFAOYSA-N	302.313	1.368	50	20	DDGD	
C=C(C)[C@H](CC(=O)NNC(=O)CNc1ccc(C)cc1)OCC	270434201	NAHAROZOPVHKLP-HNNXBMFYSA-N	319.405	1.926	50	20	DDGD	
COc1ccc(NC(C)=O)cc1NC(=O)NNC(=O)CC1CC1	273281212	AJAWNHDEJVGUQR-UHFFFAOYSA-N	320.349	1.606	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)co1	276039418	XGCGIXXSYCUKIE-VIFPVBQESA-N	311.338	1.262	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNC(=O)COc1ccc(C)cc1	270626436	DSURGXDFVMMMDW-UHFFFAOYSA-N	322.361	1.111	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1cc(C(F)(F)F)cnc1O	274138639	WYGKCORJDIFHBI-UHFFFAOYSA-N	304.228	1.369	50	20	DDGD	
CN(NC(=O)C(=O)Nc1c2c(nn1C)CCC2)c1ccccc1	275648806	GCGFBDLUWOSCCR-UHFFFAOYSA-N	313.361	1.015	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)[C@H]2CCOC2)c1	276985518	RYZGCEGKHOBKQJ-QMMMGPOBSA-N	313.741	1.538	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)CCC(=O)c1cnn(C)c1	281193328	MTULANODRBOLTR-UHFFFAOYSA-N	304.325	1.974	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCN2C(=O)NC[C@H]2C1	373300901	JJYILPJTOIUQKB-IUCAKERBSA-N	318.215	1.032	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)NNc1ccccc1[N+](=O)[O-]	285306811	YQIRWBCEANLZHW-ZDUSSCGKSA-N	306.322	1.439	50	20	DDGD	
COC(=O)COc1cccc(C(=O)NCCSSC)c1	284292599	ZMBHWMPDIFDIHU-UHFFFAOYSA-N	315.416	1.979	50	20	DDGD	
CN(C(=O)CNC(=O)NNc1cccc(F)n1)C1CCCCC1	286723618	PEXFAPIUHMZHGY-UHFFFAOYSA-N	323.372	1.638	50	20	DDGD	
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NNC(=O)c1cccc(C)n1	280594425	BQTDMQIWQZKEIW-TZMCWYRMSA-N	318.377	1.315	50	20	DDGD	
CSSCCNC(=O)c1cnc2cc(C)ccn2c1=O	283999690	IIDQLZUTDKZQMU-UHFFFAOYSA-N	309.416	1.744	50	20	DDGD	
CC[C@](O)(C(=O)NN(C)C(=O)OC)c1cccc(Cl)c1	286219645	FODVOSHFBAZBJG-CYBMUJFWSA-N	300.742	1.667	50	20	DDGD	
CO[C@@H](C(=O)NNc1ccc([N+](=O)[O-])cc1C)c1cnn(C)c1	288619065	JGRDPVNGJWUKNX-CYBMUJFWSA-N	319.321	1.468	50	20	DDGD	
C[C@@H]1CC=CC[C@H]1C(=O)NNc1nccc(N2CCOCC2)n1	288506491	TULLJCNIILCELP-CHWSQXEVSA-N	317.393	1.359	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H](F)C(F)(F)F)c(C)c1	289469727	WWBVSAMSDKZHTF-NSHDSACASA-N	321.274	1.763	50	20	DDGD	
CC1CCC(OCC(=O)NNc2cc(Cl)nc(N)n2)CC1	281554586	KQOARWFNRWTKKU-UHFFFAOYSA-N	313.789	1.751	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)Nc1ccccc1C)c1cnn(C)c1	281186354	JZDBQRMOTRQHGE-ZDUSSCGKSA-N	317.349	1.269	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@@](C)(C#N)CC)o1	284968376	CUJUBJNFHVZGHE-MRXNPFEDSA-N	320.393	1.822	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@H]2CCc3ccccc3C2)O1	297649586	MHXDEOCKNNRMRP-CQDKDKBSSA-N	317.389	1.442	50	20	DDGD	
CN(C)Cc1ccsc1C(=O)NNC(=O)[C@H]1CCCCO1	295807029	WGMAMGWWPLHLQV-LLVKDONJSA-N	311.407	1.140	50	20	DDGD	
C[C@H]1COCC[C@H]1CNC(=O)NNC(=O)CCc1ccccc1	805821176	FQFMLNLCRCTBQZ-ZFWWWQNUSA-N	319.405	1.622	50	20	DDGD	
Cc1ccnc2ccc(C(=O)NNc3nccn(C)c3=O)cc12	806997619	IHGNHEOKWYBLEG-UHFFFAOYSA-N	309.329	1.394	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CCCC#N)ccc1OC(C)C	291032588	XISSDGOJNYQUFF-UHFFFAOYSA-N	319.361	1.937	50	20	DDGD	
CCOC1CC(N(C)CC(=O)NNC(=O)c2cccs2)C1	805820112	FFJJKKVSTOMRNR-UHFFFAOYSA-N	311.407	1.008	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)Nc2ccc(OC)cc2)CC1	802052746	FBMRVDCUKDUPJB-UHFFFAOYSA-N	321.333	1.191	50	20	DDGD	
Cn1c(C(=O)NNc2ncc(F)cn2)cc2ccccc2c1=O	802912081	BXFFPUWDLXHZJB-UHFFFAOYSA-N	313.292	1.225	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)ccc1Cl	294239521	NIHZPYRLOKLJPQ-KWQFWETISA-N	312.753	1.677	50	20	DDGD	
CC[C@@H]1CN([C@H](CC)C(=O)NNc2cccc(F)n2)CCO1	804770120	SQVQDTBFYRQRTF-VXGBXAGGSA-N	310.373	1.553	50	20	DDGD	
COC(=O)N(C)CC(=O)NNc1cc(C(F)(F)F)ccn1	295432039	UYPONQHIKXUBPR-UHFFFAOYSA-N	306.244	1.242	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccc3c(c2)C(=O)OC3)o1	808879225	XYARPWQRPJDYGA-UHFFFAOYSA-N	315.285	1.725	50	20	DDGD	
COc1cc(CNC(=O)NNC(=O)[C@H]2CCCCO2)ccc1C	296985438	CKHYUWPVPHDXEW-CYBMUJFWSA-N	321.377	1.403	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C1CCN(Cc2ccccc2)CC1	294016668	BUSPDYDDTPOFAM-UHFFFAOYSA-N	315.417	1.846	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1c[nH]c2c(F)cc(F)cc2c1=O	806339817	JREHAAQQHUFJBH-UHFFFAOYSA-N	309.272	1.223	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C(C)C[C@@H]1CCC(=O)N1	811630366	GUSHSWQJXVYSJU-LBPRGKRZSA-N	319.361	1.235	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)cc1)NNc1cccc(Cl)n1	817008127	FXVYBIQIWPTUQW-UHFFFAOYSA-N	322.727	1.747	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc2ccc(F)c(F)c2n1	814900969	QMKIIROWUJMMMY-UHFFFAOYSA-N	322.271	1.319	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NN=Cc2cn(C)nc2O)c1	814991336	DNOGLVIDSQIRMZ-UHFFFAOYSA-N	323.740	1.943	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@]12CCc1ccccc12)c1ccnnc1	817693539	NELQEJKKERSFKQ-RHSMWYFYSA-N	308.341	1.142	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2CCc3cccnc32)c1	816806795	NBXIUFOSXYAMFK-OAHLLOKOSA-N	324.384	1.639	50	20	DDGD	
CO[C@@](C)(C=NNC(=O)COc1ccccc1[N+](=O)[O-])C1CC1	814743277	CELBIMCCNSQRBB-HNNXBMFYSA-N	321.333	1.891	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C[C@@H](C)n2cccn2)c1O	819845721	OEIZFCGJEVMUNV-SNVBAGLBSA-N	318.333	1.010	50	20	DDGD	
CCOC1CC(=NNC(=O)Cn2nnc(-c3ccccc3)n2)C1	814704783	YZNVFUHTJAWFNV-UHFFFAOYSA-N	314.349	1.011	50	20	DDGD	
O=C1CC[C@@]2(C(=O)NNc3ccccc3[N+](=O)[O-])SCCN12	825276740	FQOKPRFODBTKOX-ZDUSSCGKSA-N	322.346	1.103	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1ccc(N(C)C)cc1	825601842	DJOLZKLRFHYASD-RISCZKNCSA-N	320.393	1.008	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NNc2ncccn2)cc(C#N)n1C	491050091	OPLFCZFFLFWKAE-SDQBBNPISA-N	307.317	1.045	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCc1cccc(C(=O)O)c1	821374829	UTDQDXSFWQGJFG-UHFFFAOYSA-N	319.239	1.168	50	20	DDGD	
COc1cccc(-c2nc(C=NNC(=O)CN(C)C)cs2)c1	727649533	LKGDFXPVMGTVFX-UHFFFAOYSA-N	318.402	1.830	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1	495408584	SHJZFLQOBYFTQO-TXEJJXNPSA-N	321.377	1.297	50	20	DDGD	
C=CC[C@H](CO)CNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	490812470	KYKISBGNDYLMMK-NOAOUHAHSA-N	312.373	1.413	50	20	DDGD	
CCCCC[C@@H](O)C(=O)NNc1cccc(S(C)(=O)=O)c1	828597617	KAZXPWNXEQAARV-CYBMUJFWSA-N	314.407	1.474	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@@H]1CCCC(C)(C)C1	826934826	PIXNIXKLSVYFFM-XQQFMLRXSA-N	311.426	1.958	50	20	DDGD	
COC(=O)CCCN1CCC(=NNC(=O)c2ccc[nH]2)CC1	727061621	LQNYPHKUSMAUPW-UHFFFAOYSA-N	306.366	1.150	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cccc(Oc2cnccn2)c1	495823805	QETZUPXTVYDSEV-UHFFFAOYSA-N	302.290	1.612	50	20	DDGD	
Cc1cccc2ncc(/C=C(\C#N)C(=O)Nc3ccn(C)n3)n12	490813177	OMMYECVDNGWOKI-XYOKQWHBSA-N	306.329	1.922	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(Br)c(OC)c1	823898040	QARZSILIMITWNC-UHFFFAOYSA-N	317.183	1.417	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc(C)cc1C	726076423	SKFVFXWLVKZROI-UHFFFAOYSA-N	309.435	1.791	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cc(Cl)ccc1F	495444325	XTJTZYQLNKLZSQ-UHFFFAOYSA-N	303.677	1.195	50	20	DDGD	
Cn1cc(-c2nn[nH]n2)cc1C(=O)NNc1ccc(Cl)cc1	826358568	YXDACQZOAPDROU-UHFFFAOYSA-N	317.740	1.616	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@]1(C(=O)OC(C)(C)C)CC1(C)C	824404442	QAOXIFSETKQQJW-OAHLLOKOSA-N	313.398	1.483	50	20	DDGD	
CC(C)CN1CCN(C(=O)/C(C#N)=C/c2cnn(C)c2)CC1	491100977	CENWCRZHFIUUCD-OVCLIPMQSA-N	301.394	1.127	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)C1(O)CCCCC1	826447395	CYSVVCSHXFPMHF-UHFFFAOYSA-N	302.338	1.005	50	20	DDGD	
COc1cccc2c1CCN(C(=O)/C(C#N)=C\c1cnn(C)c1)C2	490971311	ITJKHDHRICFEBN-NVNXTCNLSA-N	322.368	1.921	50	20	DDGD	
CN(C)c1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cn1	825875194	DHUWPRXWTJCYGW-UHFFFAOYSA-N	324.348	1.085	50	20	DDGD	
C=C(C)[C@H](CC(=O)NNc1cccc(-c2nn[nH]n2)c1)OCC	823873630	OLPFQYFKQGSSLH-ZDUSSCGKSA-N	316.365	1.681	50	20	DDGD	
OB(O)c1cccc(CNCCc2cc(C(F)(F)F)ccn2)c1	585042885	GVNQCCDVDGORHI-UHFFFAOYSA-N	324.111	1.113	50	20	DDGD	
C[C@H]1CCC[C@H]([C@H](C)NC(=O)c2cc(B(O)O)ccc2F)C1	584999086	IOAWZTKIGUGCRR-SRVKXCTJSA-N	307.174	1.450	50	20	DDGD	
CCN(CCO)NC(=O)CCCOc1ccc2c(c1)CCC2	823864930	FHSZQSZFSQXFEG-UHFFFAOYSA-N	306.406	1.680	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc(CC(N)=O)cc1	490969596	FBGJLFDQPKWNQJ-NTEUORMPSA-N	321.336	1.966	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NN=C2CCOC2)C1	495790786	AYIHUYBDHLCGOR-NSHDSACASA-N	311.382	1.526	50	20	DDGD	
CC(C)CSCCNC(=O)NNC(=O)[C@H]1CCCCO1	836378345	ZUSQVITUJYLMTM-LLVKDONJSA-N	303.428	1.275	50	20	DDGD	
C=CCN(Cc1ccccc1F)[C@@H](C)C(=O)NNC(=O)CC	731849161	SXUHDEBXJXWLSW-LBPRGKRZSA-N	307.369	1.760	50	20	DDGD	
CCC(CC)CCCN(C)C(=O)c1ccc(B(O)O)c(F)c1	585009447	VYYQKXKRKZXWIE-UHFFFAOYSA-N	309.190	1.794	50	20	DDGD	
O=C(C[C@@H]1CCOC1)NNc1cccc(Br)n1	837210729	YCCHQZWDWNOSEM-QMMMGPOBSA-N	300.156	1.714	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCC[C@H](C)OC)c1ccccc1	732246519	UCELOOZDTAISSH-JSGCOSHPSA-N	307.394	1.936	50	20	DDGD	
COc1ccc([C@@H](NCc2ccc(B(O)O)cc2)C2CC2)cc1	585015167	QTHLPGNWGDKGPW-SFHVURJKSA-N	311.190	1.616	50	20	DDGD	
C=COc1ccc(NC(=O)C(=O)NNC(=O)CC(C)C)cc1	839512106	IJQHFKJJSQAHJH-UHFFFAOYSA-N	305.334	1.341	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1cc(F)cc(Br)c1	834971945	IIVIXXVUOFMZOO-UHFFFAOYSA-N	303.131	1.809	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)[C@H]1C[C@@H]1C(=O)O	739345637	KIAXAMNOTDHYES-KBPBESRZSA-N	312.325	1.250	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@H]2CCCOC2)c(F)c1	837206563	NUGFNGLHATVKFC-SNVBAGLBSA-N	310.325	1.872	50	20	DDGD	
CC(C)O[C@@H]1C[C@@H](NCC(=O)NNC(=O)C(C)(C)C)C1(C)C	831359221	SRYYTRGREIYSHS-VXGBXAGGSA-N	313.442	1.362	50	20	DDGD	
COc1ccc(C[C@@H](C)CNS(=O)(=O)CCl)cc1OC	830981593	UIOXNOYAJWALKW-SNVBAGLBSA-N	321.826	1.998	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCc2scnc2C)c(O)c1	839550783	NTDBXYZNODARJW-UHFFFAOYSA-N	319.386	1.859	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2C[C@H](C)n3ccnc32)n1	838691622	XBVJKNCPBLOFAI-IUCAKERBSA-N	303.326	1.014	50	20	DDGD	
Cc1n[nH]c(C)c1C=NNC(=O)c1cccc(S(C)(=O)=O)c1	915959523	OPWUPWGWHIWTMC-UHFFFAOYSA-N	320.374	1.194	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC(N2CCOCC2)C1	911642213	FMPXFKGLWNADEP-NSHDSACASA-N	319.243	1.339	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)[C@H]1C[C@@H]1c1cccc(F)c1	914383906	HEWRERVAHZLBEN-NEPJUHHUSA-N	315.370	1.177	50	20	DDGD	
C[C@@H]1CCC(C)(C)N1CC(=O)NNC(=O)c1cccc(C#N)c1	832564602	IAEKAJKXDFXFIZ-GFCCVEGCSA-N	314.389	1.582	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)NCCCC(C)C)cc1	916437817	JTTDTTXEVPYBPX-UHFFFAOYSA-N	323.393	1.841	50	20	DDGD	
CCOc1ccc(C(=O)NN=Cc2cnn(C)c2)cc1OC	917212085	GBJSGAFTMOJUGY-UHFFFAOYSA-N	302.334	1.591	50	20	DDGD	
Cc1cccn2cc(CCNC(=O)NNC(=O)C3CCC3)nc12	746775767	JUCUSPTZZNROIN-UHFFFAOYSA-N	315.377	1.316	50	20	DDGD	
COC(=O)c1ccc(O)c(C=NNC(=O)Cc2ccncc2)c1	747642351	SUHJIYCSUXZJFA-UHFFFAOYSA-N	313.313	1.267	50	20	DDGD	
CC(=O)NNC(=O)c1ccccc1OCc1cn2ccccc2n1	746046106	UNUGYVGPAZHDQU-UHFFFAOYSA-N	324.340	1.694	50	20	DDGD	
O=C(CSCc1cscn1)NNC(=O)NC1CCCC1	746840076	ZNZOTDQMAFWDKS-UHFFFAOYSA-N	314.436	1.649	50	20	DDGD	
CCN(CC)CCN1C(=O)C(=NNC(=O)OC)c2ccccc21	744563432	PHDCUWIYXDRQMJ-UHFFFAOYSA-N	318.377	1.435	50	20	DDGD	
CNC(=O)NNC(=O)c1c[nH]cc1-c1ccc2c(c1)OCCO2	742054818	JUVKWRILQMPJAV-UHFFFAOYSA-N	316.317	1.027	50	20	DDGD	
CCNCCCNC(=O)NNc1ccc(OC(F)F)cc1	841918252	VVFNFUZUUXINFS-UHFFFAOYSA-N	302.325	1.914	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)N[C@@H]1CCCC[C@H]1F	841589292	GITWIYCJSZDOFH-GHMZBOCLSA-N	319.344	1.569	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)C(F)=C1CCCC1	842261054	GWKGCZJJAHVDLZ-UHFFFAOYSA-N	313.354	1.575	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@@H]1CCO[C@H]1c1ccncc1	846003725	LUKBKXPULFSGNU-OCCSQVGLSA-N	324.344	1.345	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)C1(c2ccccc2Cl)CCC1	845991604	BZRRDCLNVVYLLT-UHFFFAOYSA-N	310.781	1.680	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=S)Nc1ccc([N+](=O)[O-])cc1	917596790	YLXRLHJUGYHEKQ-UHFFFAOYSA-N	322.268	1.865	50	20	DDGD	
Cc1occc1C=NNC(=O)c1csc(N2CCOCC2)n1	841612432	JLQLZFHRAIJEAF-UHFFFAOYSA-N	320.374	1.645	50	20	DDGD	
CCc1ccc(-c2cc(C(=O)NN(C)C(=S)NC)no2)cc1	910002760	VTBYBIHVIVQTCM-UHFFFAOYSA-N	318.402	1.985	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@H]1CCc2cnn(C)c2C1	846641648	KQAWSRAQUFYGOD-JTQLQIEISA-N	318.352	1.816	50	20	DDGD	
CO[C@H](C=NNC(=O)CNc1ccc(C)cc1)[C@H]1CCOC1	841602299	FALYPNQNAWPUDB-DZGCQCFKSA-N	305.378	1.560	50	20	DDGD	
O=C(COC[C@@H]1CCCO1)NNC(=O)c1cccc(Cl)c1	746387093	CCNPONKZHDTJGO-LBPRGKRZSA-N	312.753	1.297	50	20	DDGD	
O=S(=O)(CBr)N1Cc2cc(F)c(F)cc2C1	848500323	YYANIHQFUVIRKZ-UHFFFAOYSA-N	312.135	1.963	50	20	DDGD	
CO[C@@H](C=NNC(=O)COc1ccccc1C#N)[C@H]1CCOC1	841608345	CAJBOKYLVSNJLW-ZFWWWQNUSA-N	317.345	1.091	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc2c(s1)CCOC2	843649026	SYXOOGQBMWIXCV-SCZZXKLOSA-N	310.375	1.007	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H](C)[C@](C)(OC)C2CC2)n1	840422513	CLGRSTYWKWJWET-BMIGLBTASA-N	323.397	1.623	50	20	DDGD	
CO[C@H](C=NNC(=O)COc1ccccc1C#N)[C@@H]1CCOC1	841608344	CAJBOKYLVSNJLW-UKRRQHHQSA-N	317.345	1.091	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)n1	752398670	KDNCDQZRHLRPCF-UHFFFAOYSA-N	324.340	1.575	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12	929189783	OXIOMXICKXRQSK-QFYYESIMSA-N	317.345	1.452	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NC[C@@H]2CCCS2)c1	756917199	QWVHTGHVMFUJQF-ZDUSSCGKSA-N	323.418	1.600	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(NC(=O)OC(C)(C)C)nc1	858907134	KPUQYJXJPDZKKQ-UHFFFAOYSA-N	323.353	1.345	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CSc2ccncc2)nc1	759729315	HKRUHELHKQQSRP-UHFFFAOYSA-N	318.358	1.499	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CCCc3nn[nH]c32)C[C@H]1Br	857734878	WMDBYSFVOKOSSG-JWKOBGCHSA-N	313.199	1.514	50	20	DDGD	
CNC(=S)N(C)NC(=O)C[C@@H](NC(C)=O)c1ccc(C)cc1	854927808	HZTNDWYGZBGLMT-CYBMUJFWSA-N	322.434	1.030	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1c(C2CC2)cnn1C	853279544	SWHWABBHTTWOQT-CYBMUJFWSA-N	317.437	1.870	50	20	DDGD	
O=C(NNC(=O)c1ccc2cccnc2n1)NC1CCCCC1	854192094	GQSOSEVRDLEFBG-UHFFFAOYSA-N	313.361	1.907	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cn(C)nc2-c2cccnc2)n1	920277643	XKLHGSZDWFCIEA-UHFFFAOYSA-N	323.360	1.646	50	20	DDGD	
CN1CCC(ONC(=O)/C(C#N)=C/c2ccc(F)cc2)CC1	854357207	VLGMTMHLLUQULX-JLHYYAGUSA-N	303.337	1.875	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)nc(C)n1	857130530	JNXJBXHACQCTQU-JHJVBQTASA-N	317.393	1.231	50	20	DDGD	
C[C@H]1CCCC[C@H]1CC(=O)NNC(=O)C(=O)Nc1ccccn1	758841176	NZDFLGBTUOAXAW-RYUDHWBXSA-N	318.377	1.384	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccccc2C)c(=O)n(C)c1	757716492	UZQCSDRFAOCFQO-UHFFFAOYSA-N	314.345	1.469	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)/C=C\c1cncc(F)c1)C1CC1	855100972	MMPYNDFLIQMAID-JHYPKJRRSA-N	308.382	1.528	50	20	DDGD	
COc1ccc(C(=O)NC[C@]2(C)C[C@H]2Br)nn1	857399174	VDLUKJCWYDRFPZ-KCJUWKMLSA-N	300.156	1.389	50	20	DDGD	
CC[S@](=O)CCNC(=O)NNc1ccc([N+](=O)[O-])cc1F	853777860	DIEUFFYEOVCRSJ-NRFANRHFSA-N	318.330	1.129	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)[C@H](C)c1ccccc1	858266715	LRKWAPJHJYEFMN-WDEREUQCSA-N	301.350	1.546	50	20	DDGD	
O=C(CC[C@H]1CC1(Cl)Cl)NNC(=O)c1cccc(F)n1	856428388	VXAZEWUYGFKCGD-ZETCQYMHSA-N	320.151	1.956	50	20	DDGD	
COC(=O)C(C)(C)CC=NNC(=O)c1cccc(C(=O)O)c1	853426232	QFAXXQLLYFDDSL-UHFFFAOYSA-N	306.318	1.690	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNc1ncc(Cl)cn1)c1cnn(C)c1	927433401	YIFKLWQNBMPUHV-LLVKDONJSA-N	323.788	1.887	50	20	DDGD	
CC[C@@H]1CC(=NNC(=O)[C@@H]2COc3ccccc3O2)CCO1	756821521	VGEZNFGGMWPYMZ-DOMZBBRYSA-N	304.346	1.888	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cccc(OCC(C)C)c1	755993218	WNBXLHHSZNEATN-UHFFFAOYSA-N	309.366	1.911	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C)c1cnc[nH]1	853373761	MSKVAOFRYCYPAC-DGCLKSJQSA-N	316.365	1.151	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)Cc2cc[nH]n2)sc1C	755287255	WBYUWUHXGGGSQY-UHFFFAOYSA-N	306.391	1.736	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN[C@@H](c1ccncc1)C1CC1	934695482	OEQHQUYMUXBFAO-CQSZACIVSA-N	304.394	1.316	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNC(=O)CSc1ccc(C)cc1	864504636	LSQNSADYYQEEMD-CYBMUJFWSA-N	323.418	1.149	50	20	DDGD	
OB(O)c1ccccc1CNc1ccc(OC(F)F)c(F)c1	864020007	GXICBMQMHMRLBT-UHFFFAOYSA-N	311.068	1.719	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2c[nH]nc2C(F)(F)F)CC1	867069888	LHAONXYSLVRDNO-UHFFFAOYSA-N	306.269	1.273	50	20	DDGD	
Cc1nnc(NNC(=O)C23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)nc1O	767852218	RKWOTYSMEBPFSY-OAAXVMEWSA-N	321.356	1.637	50	20	DDGD	
O=C(NNC(=O)C1(F)CCOCC1)c1cccc(Cl)c1	864474946	UBBXPEIRYMMOMW-UHFFFAOYSA-N	300.717	1.620	50	20	DDGD	
CCO[C@H]1CCCC1=NNC(=O)Cc1cn2ccccc2n1	766454637	KBEVHXHWFNHDJI-AWEZNQCLSA-N	300.362	1.938	50	20	DDGD	
O=C1NCCC[C@@H]1C(=O)NNc1ccc(Br)cc1	866868519	QCNSIWNKJFNDJC-JTQLQIEISA-N	312.167	1.418	50	20	DDGD	
CN(C)c1ccc(NC(=O)NN=C2CCS(=O)CC2)cc1	761814175	ZAANUJBLBMYPGU-UHFFFAOYSA-N	308.407	1.773	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCC1(CO)CCOCC1	768307649	QAFZKZKFQCPVNT-SNVBAGLBSA-N	322.243	1.701	50	20	DDGD	
CC1CC(C#N)(C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)C1	767824571	PVAIVKBCHYMUQL-UHFFFAOYSA-N	323.356	1.778	50	20	DDGD	
CC(C)N1CCC[C@@H]1C(=O)NNC(=O)c1ccc(C#N)cc1	931161460	AWZBSQZSKHNNRW-CQSZACIVSA-N	300.362	1.192	50	20	DDGD	
N#CCCn1cc(C=NNC(=O)[C@H]2CCC(=O)N2)c2ccccc21	863146474	SKNOGTFQMSZUHX-CQSZACIVSA-N	323.356	1.284	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNC(=S)N[C@H](C)C2CC2)n1	869218368	LWRQIJOVORJHTE-MWLCHTKSSA-N	309.439	1.121	50	20	DDGD	
C[C@H]1CN(C(=O)OC(C)(C)C)CCC1=NNC(=O)c1cn[nH]c1	863154481	XHSVAWHTIZPLHW-JTQLQIEISA-N	321.381	1.772	50	20	DDGD	
CC[C@@]1(C(=O)NNc2ccc(OC(F)F)cc2)CCNC1=O	866875716	LLHDIZWRZNRGIQ-CQSZACIVSA-N	313.304	1.647	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)Cc2ccn(C(C)C)n2)c1	862475972	DDRFLOQGBXAQRL-UHFFFAOYSA-N	306.391	1.838	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)[C@H](C)Oc1ccccc1F)C(C)C	769740800	IEPGKHSKEPGCGN-GWCFXTLKSA-N	312.341	1.411	50	20	DDGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)c1ccc(O)nn1	1115812630	ZOPOCBWZDNYOTG-UHFFFAOYSA-N	323.765	1.467	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H]1CCC[C@H](C(C)(C)C)CC1	1116686923	QYYYCGAQQTXNMK-WDEREUQCSA-N	313.398	1.485	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)[C@@H]2CCC(=O)N2)cc1C	872391917	CWZPTXDUCNEISR-ZDUSSCGKSA-N	303.362	1.513	50	20	DDGD	
C[C@H](c1ccco1)N(C)CC(=O)NNC(=O)c1cccs1	777564234	SCYIZUDCMDDBGH-SNVBAGLBSA-N	307.375	1.795	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C(C)(C)c1ccc(O)cc1	773727159	ALJQQIAYARDQEM-SNVBAGLBSA-N	322.361	1.159	50	20	DDGD	
O=C(NCc1nnnn1CC1CC1)NNc1c(F)cccc1F	771374266	KUIKIPKXUXILBC-UHFFFAOYSA-N	323.307	1.188	50	20	DDGD	
CC(C)(C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1CCCCO1	872388277	MOYSURDHRQRTJA-QLFBSQMISA-N	323.437	1.547	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C[C@@H]2CCC(=O)N2)c(C)c1	873758838	XNNPBQBUJIWXLD-NSHDSACASA-N	320.418	1.290	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H]1CCCN1Cc1ccccc1	875292346	XKRWVWSSCQZYSY-AWEZNQCLSA-N	320.393	1.563	50	20	DDGD	
Cc1cc(OC(C)C)ccc1NC(=O)NNC(=O)CN(C)C	775535980	GUDFFRDGVKIAMR-UHFFFAOYSA-N	308.382	1.497	50	20	DDGD	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)NCCCSC#N	773587475	VSIFMHTYFRSCBH-UHFFFAOYSA-N	318.402	1.929	50	20	DDGD	
COC(=O)COCCNC(=O)NNc1c(F)cccc1Cl	875847093	IQVSCCHRHFABTL-UHFFFAOYSA-N	319.720	1.295	50	20	DDGD	
O=C(/C=C\[C@H]1CCCNC1)NNc1nc(-c2ccccc2)no1	876644782	IAGJRONNYSYDCN-JLVNDZCYSA-N	313.361	1.736	50	20	DDGD	
CC[C@H](C(=O)NNc1ccnc(Br)c1)N(C)C	771551352	COCCIGXJTYAZKK-SECBINFHSA-N	301.188	1.627	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)cc1)[C@@H]1CCCOC1	779767184	LVIKWEQSUAZJHB-CYBMUJFWSA-N	303.362	1.852	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccncn2)c2ccccc2n1	770763209	AHNJGFVUCIVORQ-UHFFFAOYSA-N	322.328	1.800	50	20	DDGD	
COCC(=O)NN=C(C)C[C@H]1CCCN1C(=O)OC(C)(C)C	771878521	IAELNRPCHYLXFP-GFCCVEGCSA-N	313.398	1.915	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCN([C@@H]2CCCC[C@H]2C)CC1	779817667	UIAKGUKCLFDORD-TZMCWYRMSA-N	324.425	1.489	50	20	DDGD	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=NNC(=O)CO	776782554	QFXWBLNTLZBDMU-UHFFFAOYSA-N	306.753	1.585	50	20	DDGD	
O=C(NNc1ccc(F)cc1Cl)[C@@H]1CCCS(=O)(=O)C1	885136898	KMSLQAZXHQFKCQ-MRVPVSSYSA-N	320.773	1.747	50	20	DDGD	
Cc1cccc(C(=O)NNS(=O)(=O)CCC2CCCC2)n1	882720754	IQTGJSDKVBWCHH-UHFFFAOYSA-N	311.407	1.535	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)C1CCOCC1	883064056	NJPKTINATBJAJP-QWRGUYRKSA-N	324.327	1.642	50	20	DDGD	
CCOCc1nc([C@H](C)NS(=O)(=O)CCCCl)no1	882205268	JJHTVYADNPGGIO-QMMMGPOBSA-N	311.791	1.215	50	20	DDGD	
CC(C)C(C)(C)C(=O)OCC(=O)NNC(=O)c1cccs1	784329356	PGWOGBGKRUNJNC-UHFFFAOYSA-N	312.391	1.735	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cccc(OC)c2O)c1	780792060	DQSKHCAEOMUOKP-UHFFFAOYSA-N	316.313	1.944	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc2ccccn2c1	785996825	VLHZZJHDBDPJMV-SNVBAGLBSA-N	303.318	1.042	50	20	DDGD	
C[C@@H](CCO)C1(CNS(=O)(=O)CBr)CCC1	782477107	NJCXPLMVFWEADB-VIFPVBQESA-N	314.245	1.447	50	20	DDGD	
COc1ccc(C=NNC(=O)c2nnc(-c3ccccc3)o2)cn1	780212129	CQSFJEVLIWMFAG-UHFFFAOYSA-N	323.312	1.904	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)CCCc2ccccc2)C(=O)O1	896340545	YOSUFSMATWOMRH-DGCLKSJQSA-N	319.361	1.044	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCCN2CCCC2)c1	780818651	ZLODOTZHMGZVKY-UHFFFAOYSA-N	320.393	1.585	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1SCCc2ccccc21	798306921	YYKZPXQPLWISBH-GFCCVEGCSA-N	307.444	1.698	50	20	DDGD	
CO[C@@H]1CCOC[C@H]1NC(=O)NNc1cccc(F)c1Cl	898076392	GGDJEIPUFJLTPS-GHMZBOCLSA-N	317.748	1.909	50	20	DDGD	
O=C(NCc1ccc2c(c1)COC2)NNc1nc2ccccn2n1	790430326	VMKYWRBBCGRSSU-UHFFFAOYSA-N	324.344	1.586	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H](O)CCc2ccccc2)n1	794079922	HPXBVYFZCXUQAC-OAHLLOKOSA-N	313.357	1.145	50	20	DDGD	
Cn1ccc(CCC(=O)NNC(=O)c2cc3ccccc3o2)n1	794377747	XYJLGLVBASNLJC-UHFFFAOYSA-N	312.329	1.560	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1c[nH]c2cccnc12	791218412	HLUBCLGXSOVRBH-UHFFFAOYSA-N	321.300	1.765	50	20	DDGD	
C[S@](=O)C1(CNC(=O)NNc2ncncc2Cl)CCC1	798104664	AXIOJMIEQZCWJL-FQEVSTJZSA-N	317.802	1.057	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42	792854345	WTYWWQGIUWAIMK-RJCJOANDSA-N	311.385	1.180	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)C(C)(C)C)CC2(CCOCC2)O1	790507901	GHMKBTLJAKKJPN-LLVKDONJSA-N	313.398	1.043	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC2C[C@@H](C)O[C@H](C)C2)cc1	1319660902	ZHSUYJXQSUBBLX-GHMZBOCLSA-N	321.377	1.595	50	20	DDGD	
CCOc1nccc(C)c1C(=O)NNC(=O)[C@H]1CCCCO1	1326586913	FEOYYWDMDKTXCX-LLVKDONJSA-N	307.350	1.119	50	20	DDGD	
CNC[C@@H](C)CNC(=O)NNC(=O)c1cccc2ncccc12	1327486039	JEOSIGYJLJLZGO-LLVKDONJSA-N	315.377	1.034	50	20	DDGD	
Nc1cnnc(NNC(=O)NC[C@@H]2CCCSC2)c1Cl	1329267573	WKVGCBRWSNIJPK-ZETCQYMHSA-N	316.818	1.482	50	20	DDGD	
Cc1nc2c(cnn2C(C)C)cc1C(=O)NNc1ccn(C)n1	1321389364	WDCJGPSOAWKFEO-UHFFFAOYSA-N	313.365	1.811	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2cncc(Br)c2)c[nH]1	1324494588	WNFBOLVOXBYVLC-UHFFFAOYSA-N	323.150	1.598	50	20	DDGD	
COc1cc(CC(=O)NNc2ccn(C)n2)cc(OC)c1OC	1320977978	ARRPYSQWJCHWTN-UHFFFAOYSA-N	320.349	1.132	50	20	DDGD	
O=C(NNc1ncncc1F)C(=O)Nc1cccc2cc[nH]c12	1327839276	YROYSTNBRXNVCW-UHFFFAOYSA-N	314.280	1.179	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H]1CCCCN1Cc1cccnc1	1328017634	VPKAQLINSKBBBZ-HNNXBMFYSA-N	316.405	1.384	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccn(C2CCCCC2)n1	1255986041	UGYXXULVFOGJQL-UHFFFAOYSA-N	308.386	1.103	50	20	DDGD	
COc1cccc(CCC(=O)NNc2nncc(N)c2Cl)c1	1333507222	FWJZLOOPFLFEFC-UHFFFAOYSA-N	321.768	1.797	50	20	DDGD	
C[C@@H]1C(=O)Nc2ccc(-c3csc(NNC(N)=O)n3)cc21	1339957803	CSTHVMDSVFCMAQ-LURJTMIESA-N	303.347	1.861	50	20	DDGD	
CC(C)NC(=S)NNC(=O)Cc1ccc(O)c(Cl)c1	1331901821	PNEHHGUQGGTQGV-UHFFFAOYSA-N	301.799	1.492	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)c1cccnn1)CCCO2	1336996031	WUINYRFGKHJBNJ-UHFFFAOYSA-N	312.329	1.792	50	20	DDGD	
CC(C)[C@H](NC(=O)NNc1ncccc1F)c1cnn(C)c1	1344545207	BJKJIIIYSGIPRL-LBPRGKRZSA-N	306.345	1.978	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNc2ncncc2F)c(C)c1	1343865904	PYKLFCOXLVSRFI-UHFFFAOYSA-N	319.296	1.859	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)C(F)(F)C2(O)CCCC2)nc1	1602382611	UCFXZSMCAYFRJT-UHFFFAOYSA-N	315.276	1.163	50	20	DDGD	
Cc1cc(C=NNC(=O)NCC(=O)O)c(OC(F)F)cc1C	1607634143	ZIVGEDNEKTXLPY-UHFFFAOYSA-N	315.276	1.623	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)C2CCCC2)[nH]c(C)c1C(=O)O	1605366201	OHGXLSFYJHANHH-UHFFFAOYSA-N	321.377	1.925	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(C(=O)O)cc2cccnc12	1605550746	BLYQDNTWGQMISI-UHFFFAOYSA-N	318.289	1.716	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2ccc(C(=O)O)c(F)c2)c1	1600647634	GHWBOGJBMRKVTF-UHFFFAOYSA-N	322.317	1.969	50	20	DDGD	
O=C(Cc1cc(F)ccc1O)NNc1ccccc1C(=O)O	1608358579	RWOYGBZGALUPMC-UHFFFAOYSA-N	304.277	1.915	50	20	DDGD	
O=C(O)CC[C@@H]1C[C@@H](C(=O)NNc2ccnc(Cl)c2)CO1	1606110803	AYXVFXUQRSPDRO-PSASIEDQSA-N	313.741	1.448	50	20	DDGD	
CC(C)(C)N1CC[C@](F)(C(=O)NNc2ncccc2C(=O)O)C1	1602869045	ZSNUMXUMLSREQJ-OAHLLOKOSA-N	324.356	1.435	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21	1601559083	KOBOGQMFZMOSFN-FHUSYTEZSA-N	303.318	1.187	50	20	DDGD	
COc1cccc2cc(C(C)=NNC(=O)NCC(=O)O)oc12	1607335568	ZIFGDDVVSHZUDJ-UHFFFAOYSA-N	305.290	1.549	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)cc1C(=O)O	1600341667	URMYWWUJHRVFSG-GFCCVEGCSA-N	306.318	1.023	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12	1601046245	QQOAHXPBLUAMBD-YVGDKSCBSA-N	312.325	1.525	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2coc3cc(O)ccc23)nc1	1602384756	WGQBLPPZZKROQE-UHFFFAOYSA-N	313.269	1.989	50	20	DDGD	
COc1cccc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)c1F	1549321096	PWPJUNKSXVVZGT-JSGCOSHPSA-N	321.352	1.148	50	20	DDGD	
O=C(O)CC1CC(=NNC(=O)c2cc([N+](=O)[O-])ccc2O)C1	1610761988	OOBLQILJZVQKFQ-UHFFFAOYSA-N	307.262	1.271	50	20	DDGD	
O=C(O)c1cc(NNC(=O)C(F)(F)C2(O)CCC2)ccc1F	1610814854	YFXKQFKHSPKVEG-UHFFFAOYSA-N	318.251	1.517	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccc([N+](=O)[O-])cc2)nc1	1610835909	MQFXCOGDLAFRSX-UHFFFAOYSA-N	302.246	1.445	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@@H]1C=NNC(=O)[C@@H]1CCOC1	1552762901	NPQSVOSTPWGANX-JHJVBQTASA-N	306.366	1.119	50	20	DDGD	
Cc1cccc(NNC(=O)NCc2ccccc2C(=O)O)n1	1574397578	VQOHORDNWLYLMX-UHFFFAOYSA-N	300.318	1.915	50	20	DDGD	
COc1ccc(NNC(=O)[C@]2(F)CCNC2)c(C(F)(F)F)c1	1579230587	SFTYXJMQKGBPBK-LBPRGKRZSA-N	321.274	1.859	50	20	DDGD	
C[C@@H](Sc1ccccn1)C(=O)NNc1ncccc1C(=O)O	1589172748	NJVXWIOAPDBRDP-SECBINFHSA-N	318.358	1.799	50	20	DDGD	
NCCCCCC(=O)NNC(=O)c1ccc2ncsc2c1	1580292635	HIPREGKEAIJROQ-UHFFFAOYSA-N	306.391	1.576	50	20	DDGD	
CC1(C)C(C)(C)C1(C(=O)O)C(=O)NNc1nc2ccccn2n1	1589205914	QBXMFZMVEWAAGZ-UHFFFAOYSA-N	317.349	1.309	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H](C)CN)C1	1842866637	IXADOPKOPJARKJ-VXGBXAGGSA-N	315.845	1.192	50	20	DDGD	
Cc1cnoc1C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1844617835	HPJIQVQMSGVWBB-SNVBAGLBSA-N	315.732	1.334	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cnco1)C2	1845163443	YBVCZRCIJQWDPH-SNVBAGLBSA-N	311.769	1.509	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)C2CC(=O)C2)C1	1846991728	SAPXASGSALRRDV-LBPRGKRZSA-N	312.797	1.186	50	20	DDGD	
O=C(O)[C@]1(C(=O)NNc2ccc(Cl)cc2F)CCCO1	1594867604	OMUCWQSHXOUYQZ-GFCCVEGCSA-N	302.689	1.556	50	20	DDGD	
COCc1nc(C)c(C(=O)NNc2ncccc2C(=O)O)s1	1594028758	GHWFSDMNRQAYJP-UHFFFAOYSA-N	322.346	1.448	50	20	DDGD	
C[C@@H]1CCC[C@@H](NC(=O)NNc2ccc(-c3nn[nH]n3)cn2)C1	1590243599	LMCCAOCGWVQWHC-MWLCHTKSSA-N	316.369	1.467	50	20	DDGD	
Cn1ncc(C(=O)O)c1CNC[C@]1(C)C[C@@H]1Br	1594579975	BAOFQHOMDOOEBX-ONGXEEELSA-N	302.172	1.381	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@H]1CC12CC2	1593160877	WVDVZUGPGNVSPM-SSDOTTSWSA-N	305.729	1.158	50	20	DDGD	
COc1c(NC[C@@]2(C)C[C@@H]2Br)ncnc1C(=O)O	1599343677	VSOMOVFHZHWTPG-UPONEAKYSA-N	316.155	1.769	50	20	DDGD	
C/C(C=NNC(=O)NCC(=O)O)=C\c1cccc([N+](=O)[O-])c1	1592211899	OEPQVOHINZRXML-UNQMXAIBSA-N	306.278	1.368	50	20	DDGD	
COC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1	158843598	JFRAMWXQCZBJGX-VHSXEESVSA-N	313.151	1.940	50	20	DDGD	
CC(=O)NNC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F	155596622	NXRIMIYFUURXFY-VIFPVBQESA-N	311.210	1.919	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@H](C)N2CCC[C@@H](C)C2)nc1	157252405	NFBSUANXLCWJAU-OLZOCXBDSA-N	321.425	1.837	50	20	DDGD	
C=CCNC(=O)c1ccc(NC(=O)NNc2ncccn2)cc1	157387344	QUWASKMIDHQFAG-UHFFFAOYSA-N	312.333	1.541	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN(C)[C@H]1CCSC1	155932241	ODGRUNYFAXSDMU-AWEZNQCLSA-N	321.446	1.122	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNc1ncccc1[N+](=O)[O-]	154394296	KSCHVQDECOAOBW-QMMMGPOBSA-N	318.337	1.967	50	20	DDGD	
Cc1sc(=O)n(CC(=O)NNc2ccncc2Cl)c1C	154643758	LHEFMTHPZIMYQB-UHFFFAOYSA-N	312.782	1.718	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)OC(C)(C)C)c1Br	274117636	AIMMBBHOQIUFJK-UHFFFAOYSA-N	319.159	1.352	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc2ccccc2oc1=O	6448278	JRMNHYLGGNOZIL-UHFFFAOYSA-N	305.359	1.310	50	20	DDGD	
N#Cc1ccc(NCC(=O)NNc2ccc(Cl)nn2)cc1	118498175	CDHJHYNFZGXNSB-UHFFFAOYSA-N	302.725	1.557	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)NCc2ccc(Cl)cc2)cn1	112729540	SKOROSIRRKLVMM-UHFFFAOYSA-N	319.752	1.583	50	20	DDGD	
COc1cc(C)cc(C(=O)NNC(=O)c2ccccc2)c1O	106454225	SALUMBSGBZTDAL-UHFFFAOYSA-N	300.314	1.784	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)c2ccc(Cl)nc2)cn1	119554009	VRWBTMUEKICTMK-UHFFFAOYSA-N	320.736	1.604	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)NCCn1cccn1	114972326	JXHDJXFGWSXSRI-UHFFFAOYSA-N	321.768	1.110	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CN2CCCCCC2=O)cc1	23691383	CVXYFVJZGFLILI-UHFFFAOYSA-N	317.389	1.413	50	20	DDGD	
N#Cc1cccc(NNC(=O)C(=O)Nc2ccc(Cl)nc2)c1	119431181	PGFWXEXQMRNESU-UHFFFAOYSA-N	315.720	1.688	50	20	DDGD	
COC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)OC(C)(C)C	63460474	RLAYYELKYKXTKT-VIFPVBQESA-N	303.359	1.313	50	20	DDGD	
CC(C)n1nccc1NC(=O)NNC(=O)c1ccccc1O	65772925	YIDKCJJNEGKNBK-UHFFFAOYSA-N	303.322	1.636	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C)c1ccc(Cl)s1	175075733	BYCWMVVFZXVMAX-ZETCQYMHSA-N	317.798	1.177	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cccc(NC(=O)C2CC2)c1	63270378	TUKLYONBWMNKLB-UHFFFAOYSA-N	304.350	1.388	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cc2c(cc1F)NC(=O)CC2	120421231	LIINFHLQFWYPBX-MRVPVSSYSA-N	322.340	1.909	50	20	DDGD	
CC(C)(C)c1ccc(CNC(=O)NNC(=O)[C@@H]2CCCO2)cc1	125067062	TVBLZNZEWUXWON-AWEZNQCLSA-N	319.405	1.994	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)Cc1nc2ccccc2n1C	127351812	IHTANRWMHCQGKN-GFCCVEGCSA-N	320.418	1.405	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cccc(N2CCCC2=O)c1	65193216	IDSBHDYOHRTKSX-UHFFFAOYSA-N	316.361	1.167	50	20	DDGD	
CC(C)(C(=O)NNC(=O)Cc1cccnc1)c1cccc(F)c1	120197679	KTPLFULLNKQBBS-UHFFFAOYSA-N	315.348	1.888	50	20	DDGD	
CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)CCCCCl)C1	154767258	UUVIEPXHTWAUGR-CHWSQXEVSA-N	308.875	1.751	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H](C(=O)NNc2cc(F)c(F)cc2F)O1	188507468	ZOSMNQIJSSOWNF-WDEREUQCSA-N	318.251	1.268	50	20	DDGD	
CS(=O)(=O)CCC(=O)NNc1ccc([N+](=O)[O-])cc1Cl	120557206	PAJJBGAQSNSKBK-UHFFFAOYSA-N	321.742	1.126	50	20	DDGD	
CC(C)(C)c1ncc(NC(=O)NNC(=O)c2ccncc2)cn1	184632328	YBHWKAPFGFNLPY-UHFFFAOYSA-N	314.349	1.636	50	20	DDGD	
C[C@@H](CN1CCCC1=O)NC(=O)/C(C#N)=C\c1ccc(F)cc1	182296114	GXGNGXPBWXVTGT-CJAAZZPWSA-N	315.348	1.860	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3ccon3)[nH]n2)cc1	130121499	VHPSJVBSOBVJIK-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@H]1CC1(C)C	186065123	BTFFPYDGPYHNQU-SECBINFHSA-N	312.391	1.588	50	20	DDGD	
COc1cc(C(=O)NNc2nc(C(F)(F)F)cs2)on1	139490869	ZPAGZGFBPMDFRS-UHFFFAOYSA-N	308.241	1.915	50	20	DDGD	
COCc1cccc(C(=O)NNC(=O)c2ccc(Cl)nc2)c1	77248783	QHFNHNGRWHWMOJ-UHFFFAOYSA-N	319.748	1.956	50	20	DDGD	
O=C(NNc1nnc(C2CC2)s1)c1ccc2[nH]nnc2c1	184533316	WOJPTDSHOREKLZ-UHFFFAOYSA-N	301.335	1.444	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2nc3ccccc3c(=O)[nH]2)n[nH]1	137138981	BDSGDVFKBIQVGI-UHFFFAOYSA-N	312.333	1.527	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccncc1Br	131775866	HTJCMVUHEQUDEO-UHFFFAOYSA-N	300.156	1.651	50	20	DDGD	
CCOC(=O)C1(CNC(=O)NNc2ccccn2)CCCC1	190572134	ZAIWVLYCUOLIPA-UHFFFAOYSA-N	306.366	1.831	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F	139169869	ZRPUKYORLXDLJO-UHFFFAOYSA-N	321.303	1.621	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cccc(Cl)c1)c1nncn1C	194109591	WGPVIJOKSXWCOL-QMMMGPOBSA-N	322.756	1.174	50	20	DDGD	
Cc1c(C)c(C)c(S(=O)(=O)NNC(=O)N(C)C)c(C)c1C	194857144	AFRZHMNZYWEMBI-UHFFFAOYSA-N	313.423	1.693	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CCCC[C@@H]2C)n1	43047318	JWJFGWCNAVMPAJ-GXFFZTMASA-N	307.398	1.409	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnc(Cc2ccccc2)s1	87193054	ARARPFVNCVSZLK-UHFFFAOYSA-N	304.375	1.698	50	20	DDGD	
O=C(CSCc1ccncc1)NNC(=O)Cc1ccncc1	82977734	NKEZOFVIOQACCA-UHFFFAOYSA-N	316.386	1.100	50	20	DDGD	
O=C(NCc1ccc(OC(F)F)cc1)NNC(=O)c1ccc[nH]1	193269208	KCTSFBFKMDTUCL-UHFFFAOYSA-N	324.287	1.760	50	20	DDGD	
CCCOCC(=O)NNC(=O)[C@H](C)Oc1ccc(OCC)cc1	143681879	OYBFIBVAHHNJAM-LBPRGKRZSA-N	324.377	1.427	50	20	DDGD	
C[C@H]1CCCN(C[C@H](C)NC(=O)NNC(=O)c2ccccc2)C1	249752043	BGWPKIZQRASPRY-KBPBESRZSA-N	318.421	1.751	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]12	268472464	GONABSFSBGVKMI-RRFJBIMHSA-N	317.389	1.897	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)[C@@H]1CCCN1C1CCCC1	269640527	GYSYNFZTCZPOHT-NSHDSACASA-N	315.381	1.203	50	20	DDGD	
O=C(CSC[C@@H]1CCCCO1)NNc1ncnc2nc[nH]c12	266422475	AWXGHTKPAIPLJC-VIFPVBQESA-N	322.394	1.098	50	20	DDGD	
CCCOc1ncccc1CNC(=O)NNC(=O)C1CCC1	264726081	FYPUASOUBJOEOS-UHFFFAOYSA-N	306.366	1.501	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCOc1ncccc1Cl	268561712	PATNFRAMDPXPTA-UHFFFAOYSA-N	314.773	1.490	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)COc1ccc(C#N)cc1	269520445	XDKCDFUGTDLHRA-LBPRGKRZSA-N	307.375	1.226	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)nc1	365643947	PHYJSCFXVOXSTP-GMXVVIOVSA-N	305.334	1.126	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNc1nc2ccccn2n1	276675308	AVFSDJOGFGPWTJ-UHFFFAOYSA-N	320.353	1.087	50	20	DDGD	
CCOc1cc(C=O)ccc1OS(=O)(=O)CBr	272929265	SHAULVBFWGFOKV-UHFFFAOYSA-N	323.164	1.959	50	20	DDGD	
CC(C)Nc1ccc(C(=O)NNC(=O)NC2CCCC2)cn1	278838177	ZIQFMEQSTDTVMN-UHFFFAOYSA-N	305.382	1.789	50	20	DDGD	
Cc1cccnc1NNC(=O)NC[C@@H]1CCN(CC(C)C)C1	276603088	CHSRTYSCZVIPSI-AWEZNQCLSA-N	305.426	1.994	50	20	DDGD	
CCN1CCOC[C@@H]1C(=O)NNc1ccc(OC(F)F)cc1	367660621	JCAAUGOZYABSNZ-GFCCVEGCSA-N	315.320	1.452	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NC[C@@H](O)C1CCOCC1	279874112	NIGDLUCWDYSOKJ-IHWMJMDHSA-N	316.357	1.203	50	20	DDGD	
NNC(=O)CCSCc1nc(O)c2c3c(sc2n1)CCC3	270227970	NWCJOWFXNKEDOJ-UHFFFAOYSA-N	324.431	1.499	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl	272932330	GLOFLGKLAQWKDF-UHFFFAOYSA-N	314.729	1.483	50	20	DDGD	
COc1ccc(NC(C)=O)cc1NC(=O)NNC(=O)C1CC1	273158965	AWFRNELMYPLTJR-UHFFFAOYSA-N	306.322	1.216	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C[C@@H]2C(=O)Nc3ccccc32)n1	373657018	VUCKFJHVPYIHQJ-LBPRGKRZSA-N	324.340	1.277	50	20	DDGD	
CCC[C@H]1C[C@@H](C(=O)NNC(=O)c2cccc(C)n2)CCO1	279879144	XBCGFYCKDNLJHN-STQMWFEESA-N	305.378	1.746	50	20	DDGD	
CNC(=O)COc1ccc(NC(=O)NNC(=O)CC(C)C)cc1	273444691	ZNMAYQNZUVIFRG-UHFFFAOYSA-N	322.365	1.010	50	20	DDGD	
CCc1nn(C)c(OC)c1CNC(=O)NNc1cccc(F)n1	286663418	GNUMYYGAKVIRDW-UHFFFAOYSA-N	322.344	1.352	50	20	DDGD	
CCOC(=O)CC(C)(C)CC(=O)NNC(=O)c1ccccc1O	289174210	XVVLXYJWMQXXBB-UHFFFAOYSA-N	322.361	1.523	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)[C@](C)(O)C3CC3)cc2C1	288515488	XGMANPNGQDPSMX-XXFAHNHDSA-N	322.430	1.795	50	20	DDGD	
CCCNC(=O)c1cccc(C(=O)NNC(=O)CC2CC2)c1	294203893	PNJTVYSGRDAYHX-UHFFFAOYSA-N	303.362	1.388	50	20	DDGD	
O=C(CSCc1ccccn1)NNC(=O)[C@H]1CCCCO1	295279045	CLRPHIRGCQDHNF-GFCCVEGCSA-N	309.391	1.031	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NC[C@H]1C[C@H]1C	298734904	MQEFAEOCHRSVTF-OUAUKWLOSA-N	309.341	1.579	50	20	DDGD	
O=C(C[C@H]1OC(=O)c2ccccc21)NNC(=O)[C@@H]1CCCCO1	295627101	SAQKTILZTDLFCE-QWHCGFSZSA-N	318.329	1.005	50	20	DDGD	
O=C(CCc1ncc[nH]1)NNc1ccnc(Br)c1	807260824	LJCNXMHEZRUTGZ-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
C[C@H](CNS(=O)(=O)CCl)CN(C)C(=O)OC(C)(C)C	1347839830	YIKOZBQFDZTAIR-SECBINFHSA-N	314.835	1.605	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H]2CCCC(=O)N2)cc1C	291383425	ZOVJBCUYXBOANZ-ZDUSSCGKSA-N	319.361	1.284	50	20	DDGD	
COc1ccc(OCC(=O)NN=C(C)c2cn(C)c(C)n2)cc1	800805888	GOQXFWSIJFPWBD-UHFFFAOYSA-N	316.361	1.656	50	20	DDGD	
CC(C)[C@H](C)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	291173259	KBJZGFWXEODHPQ-NSHDSACASA-N	313.423	1.672	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C[C@H]1CC[C@H](C)C1	807369768	JNUCOZPYPXZZGV-RYUDHWBXSA-N	300.399	1.749	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CSC2CC2)cc1C	294372250	NIDNDZLQGYLIDH-UHFFFAOYSA-N	321.402	1.285	50	20	DDGD	
C[C@H](Oc1cccnc1)C(=O)NNc1ccc2c(=O)[nH]ccc2c1	803439023	PDJZSNWETDSUNO-NSHDSACASA-N	324.340	1.834	50	20	DDGD	
Cc1cccc(OCCCC(=O)NNC(=O)[C@@H]2CCCCO2)c1	295300375	FBMYUAVIEWOTEY-HNNXBMFYSA-N	320.389	1.871	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccnc(Cl)c2F)O1	294045098	YRIRKICQQGFANQ-XPUUQOCRSA-N	301.705	1.203	50	20	DDGD	
CCn1cc(CC(=O)NNc2nccnc2C2CCC2)cn1	805462620	CKFDNTKATOCCCD-UHFFFAOYSA-N	300.366	1.646	50	20	DDGD	
COCC1(CCNC(=O)NNc2nc3ccccn3n2)CCC1	297360651	OTMASSMUSJGHOS-UHFFFAOYSA-N	318.381	1.562	50	20	DDGD	
CC(C)(C)OC(=O)C1=NO[C@H](C(=O)NNc2ccccc2)C1	298650803	SFHIHQZYIBCJGI-LBPRGKRZSA-N	305.334	1.616	50	20	DDGD	
N#Cc1ccc(NCCNC(=O)NNc2ncccc2F)nc1	804960297	QLLAFOYPBJNGTI-UHFFFAOYSA-N	315.312	1.226	50	20	DDGD	
CC(=O)c1cccc(O[C@@H](C)C(=O)NNC(=O)CC2CC2)c1	294090187	IKZBUBXXXBIDNR-NSHDSACASA-N	304.346	1.604	50	20	DDGD	
Cc1cn2ccnc(C(=O)NNC(=O)Nc3ccccc3)c2n1	801989102	FUQNEIKASXQQFO-UHFFFAOYSA-N	310.317	1.504	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1cccc(O)c1O	803435981	DSJYVUZKUKIVLZ-UHFFFAOYSA-N	311.297	1.696	50	20	DDGD	
Cn1ccc(CC(=O)NNC(=O)Nc2ccc(Cl)cc2)n1	802019959	BVSFVLNAZMFAGH-UHFFFAOYSA-N	307.741	1.469	50	20	DDGD	
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCC(Cl)Cl	816605909	QRYYGLGNHPONCO-UHFFFAOYSA-N	320.132	1.245	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)[C@H]1CCCSC1	810535264	HNAXUPCRKRSVNM-JTQLQIEISA-N	312.366	1.495	50	20	DDGD	
CC(=NNC(=O)[C@H]1COc2ccccc2O1)c1csnn1	814700775	CWRDUPUECANHCV-GFCCVEGCSA-N	304.331	1.218	50	20	DDGD	
CC(C)OC1CC(=NNC(=O)c2cccc(S(C)(=O)=O)c2)C1	814802184	VCKLPCNKHNIKLY-UHFFFAOYSA-N	324.402	1.763	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)CC1)c1c[nH]c2ccccc12	814699700	RHTIGYPECZRFSE-UHFFFAOYSA-N	305.359	1.462	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CN2CCSC2=O)ccc1C	816689558	NXNSKBDFWGXXSM-UHFFFAOYSA-N	323.374	1.394	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)[C@H](F)C(F)(F)F	815115717	XOALFKXPNMZEKA-ZETCQYMHSA-N	313.276	1.521	50	20	DDGD	
CN(NC(=O)c1cccc(S(=O)(=O)C(F)F)c1)C1CC1	819652978	GQGBKVJBMRZFIM-UHFFFAOYSA-N	304.318	1.422	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ncsc1C(C)C	811266824	PSAIBHWOTAUTFB-QMMMGPOBSA-N	313.379	1.369	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H]1CC2CCC1CC2	814319098	OLIAXLVMHDSACH-VQXHTEKXSA-N	301.481	1.671	50	20	DDGD	
Cc1nsc(NC2CC2)c1C(=O)NNC(=O)c1ccccn1	814185277	ZQYQDCOKICLGOQ-UHFFFAOYSA-N	317.374	1.496	50	20	DDGD	
C[C@H](Cc1cnc2ccccc2n1)C(=O)NN=c1cc[nH]cc1	816011672	WFGSNTRJXSLERG-GFCCVEGCSA-N	307.357	1.769	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)NOC/C=C/Cl	812706206	LLDGAAGWDSRKKE-ZZXKWVIFSA-N	322.752	1.725	50	20	DDGD	
Nc1cc(C(=O)NN=Cc2cccnc2Cl)cc([N+](=O)[O-])c1	814753138	GSOILJKRTCGCQU-UHFFFAOYSA-N	319.708	1.989	50	20	DDGD	
O=C(C[C@@H](C(=O)O)c1ccccc1)NNC(=O)c1ccc[nH]1	814324288	DKHZERFCDYDOEY-LLVKDONJSA-N	301.302	1.034	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cc(O)nc(C2CC2)n1	816829222	GODWSDDHGCDDNM-UHFFFAOYSA-N	312.329	1.443	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1cc2c(cn1)CCCC2	813014940	VXNVBTLGOCJLKX-UHFFFAOYSA-N	311.345	1.822	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cnn(CC(F)F)c2)n1	814215053	JMYGSFZVRSTTAQ-UHFFFAOYSA-N	310.308	1.112	50	20	DDGD	
CCC[C@@]1(CO)CCCN1C(=O)/C(C#N)=C/c1cnn(C)c1	491086738	UZHWSFQCCXBLBM-SBNBMVPLSA-N	302.378	1.481	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCC(=O)NCC(F)F	491101447	DXNOXFCGOBCQPN-YHYXMXQVSA-N	311.263	1.230	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(COc2ccccc2F)on1	823873668	FWBDWPGZEQWCJH-UHFFFAOYSA-N	323.324	1.352	50	20	DDGD	
C[C@@H]1C[C@@H](CCNC(=O)/C(C#N)=C\c2cnn(C)c2)CCO1	491086779	VEKMIRMHVIUSHQ-DVTVXSLWSA-N	302.378	1.648	50	20	DDGD	
C#CCNC(=O)C1CCN(C(=O)NCCSSC)CC1	491635033	KEERYJCLKSSTFB-UHFFFAOYSA-N	315.464	1.169	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)nc2)nc1	728859665	YCIMTKFTPLGBFH-UHFFFAOYSA-N	300.705	1.186	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1cc(Cl)c[nH]1	727943164	ZVIVGUHEIFZQBX-GFCCVEGCSA-N	321.720	1.269	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCC(=O)Nc1c(F)cccc1F	823912145	ALOYLUJEJQWWHU-SECBINFHSA-N	315.320	1.027	50	20	DDGD	
CCN(CCO)NC(=O)c1c[nH]nc1-c1ccc(OC)cc1	823841333	HWMJHRDKHAWRQL-UHFFFAOYSA-N	304.350	1.044	50	20	DDGD	
CCCC(=NNC(=O)C(N)=O)c1cccc(C(F)(F)F)c1	726417682	GUOQFLMWIBASCC-UHFFFAOYSA-N	301.268	1.811	50	20	DDGD	
CN(NC(=O)Nc1cc(Cl)cc2c1OCC(=O)N2)C1CC1	824343796	TYCYPTGLJDSENM-UHFFFAOYSA-N	310.741	1.802	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)COC2	826447140	PFDISIQKTKVKOX-UHFFFAOYSA-N	322.328	1.654	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H]1C[C@H](c2ccccc2)C1	826693545	WJAPMEULFDFHFL-NMFUWQPSSA-N	317.389	1.688	50	20	DDGD	
O=C(COc1cccc(Cl)c1)NNC(=O)Cc1cccnc1	728851921	DYJTYVMKJYFAGC-UHFFFAOYSA-N	319.748	1.504	50	20	DDGD	
O=C(CCCN1CCc2ccccc21)Nc1cccc(B(O)O)c1	584913872	KWCUXWYDGQNSJS-UHFFFAOYSA-N	324.189	1.148	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H](CO)CC(F)(F)F	491177084	UFMKKPCJHYWNLD-UAWPZABVSA-N	314.263	1.729	50	20	DDGD	
Cc1ncc(/C=C\C(=O)NNC(=O)N=c2cc[nH]cc2)s1	492813986	RMJGSOFZOAQIGG-IHWYPQMZSA-N	303.347	1.135	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)/C=C/c1cc(Cl)cc(Cl)c1	493684873	MIWYGZAGOUXXHJ-ONEGZZNKSA-N	317.172	1.925	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(OC)cc1OC(F)F	492818800	LPZIAHGYZAGWGS-UHFFFAOYSA-N	304.249	1.688	50	20	DDGD	
CCc1ccc2c(c1)C(=NNC(=O)Cc1cccnc1)C(=O)N2	728784705	QBQUFMGXJAIJLM-UHFFFAOYSA-N	308.341	1.659	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(OCc2ccccc2)nc1	823856654	WLSQCEJULODADW-UHFFFAOYSA-N	315.373	1.620	50	20	DDGD	
N#C/C(=C/c1cn(CC(=O)O)nn1)C(=O)Nc1ccc(F)cc1	490725796	KZDKBDBPOHGSGM-UITAMQMPSA-N	315.264	1.047	50	20	DDGD	
Cn1nc2c(c1C(=O)NNC(=O)c1cccc(Cl)c1)CCC2	905110587	IPVUWCNGNQFSST-UHFFFAOYSA-N	318.764	1.637	50	20	DDGD	
OB(O)c1ccc(CNc2cccc(CN3CCCCC3)c2)o1	585012422	XXBKYYOHTLZBEY-UHFFFAOYSA-N	314.194	1.557	50	20	DDGD	
O=C(NCB(O)O)c1cc(C2CC2)nc2ccc(Cl)cc12	585061547	VHDHTZRZPCOTOC-UHFFFAOYSA-N	304.542	1.507	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@H]2CO[C@@H](C)C2)cc1	827617111	CFVQOZDPNSMOCH-GXSJLCMTSA-N	308.338	1.208	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)Cc1ccc(Cl)cc1	491416846	LZMSEAWJSRCOCY-UHFFFAOYSA-N	300.749	1.863	50	20	DDGD	
C[C@H]1CN(c2ccc(C(=O)NN(C)[C@@H](C)CO)cc2)C[C@@H](C)O1	823907576	NFQJKODKRDGLJU-MELADBBJSA-N	321.421	1.258	50	20	DDGD	
COC(=O)[C@]1(C)CCN(C(=O)[C@@]2(C)C[C@@H]2Br)C1	906992140	OLBLYBNYUIDCNU-AXTRIDKLSA-N	304.184	1.572	50	20	DDGD	
COc1ccc2c(c1)CCC[C@H]2CNCc1ccc(B(O)O)o1	585036234	FRLIBMZMFAJEIH-ZDUSSCGKSA-N	315.178	1.178	50	20	DDGD	
CNc1ncc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)s1	826098688	LTRXVUAURXNWFH-UHFFFAOYSA-N	316.350	1.122	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC2=N[C@H]3C=C[C@H]2C3)cc1	739400762	REOWQKPGWIATCG-AGIUHOORSA-N	315.373	1.830	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)c2ccnc(N(C)C)c2)o1	731561580	MXQXGWPLIVAPRB-UHFFFAOYSA-N	316.317	1.291	50	20	DDGD	
COc1ccnc(C(=O)NNC(=O)COc2cccc(C)c2)c1	734808820	GCMWISGBJLXDDF-UHFFFAOYSA-N	315.329	1.239	50	20	DDGD	
COC[C@H](C)n1ccc(NC(=O)NNC(=O)OC(C)(C)C)n1	495569940	SGGOIUUMBOEWDB-VIFPVBQESA-N	313.358	1.652	50	20	DDGD	
O=C(COc1ccc2c(c1)CCC2)NNC(=O)[C@@H]1CCCCO1	833261077	LFPVKXZPLFMFGU-HNNXBMFYSA-N	318.373	1.271	50	20	DDGD	
COCCOCCN(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	491175371	LASFTTIOOBCWQW-KAMYIIQDSA-N	304.346	1.421	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=CCCc2cnn(C)c2)c1	834926511	OYRFRYXYUNYDMS-UHFFFAOYSA-N	316.361	1.786	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)[C@@H]1CCCc2nn[nH]c21	830837337	HXXIFARPEHKHDR-SSDOTTSWSA-N	311.267	1.785	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)NC1CCC(C(=O)O)CC1	739454581	SSVXEUVJGKWKEU-UHFFFAOYSA-N	322.321	1.864	50	20	DDGD	
O=C(O)CCCNC(=O)NNC(=O)CCCc1cccs1	739678013	RUPJYCVSHADMPJ-UHFFFAOYSA-N	313.379	1.266	50	20	DDGD	
O=C(c1cc(-c2ccc(F)cc2)no1)N1CC[C@@H](B(O)O)C1	585066440	LUEOVHDMASZPAO-SNVBAGLBSA-N	304.086	1.170	50	20	DDGD	
O=C(NN=C1CC[C@@H]2CCCC[C@@H]2C1)[C@@H]1CCS(=O)(=O)C1	730576150	BTDRHTNVWUZJNW-YNEHKIRRSA-N	312.435	1.884	50	20	DDGD	
C[C@@H](O)CC(C)(C)CNC(=O)NNc1cccc(C(=O)O)c1	833527669	LSDCQWDHPWPNCK-SNVBAGLBSA-N	309.366	1.808	50	20	DDGD	
Cc1cccc2c1O[C@@H](C(=O)NNC(=O)[C@H]1CCCCO1)C2	833235484	FIKAPTHMXLCOKJ-CHWSQXEVSA-N	304.346	1.015	50	20	DDGD	
CN(C(=O)c1ccc(B(O)O)c(F)c1)[C@H]1CCC[C@@H]1C(C)(C)C	585001469	XRIHXLAQCHXRBS-WFASDCNBSA-N	321.201	1.792	50	20	DDGD	
CC[C@H](C)NC(=O)c1cccc(CNS(=O)(=O)CCl)c1	830023747	PIIZSZUCOKFFRR-JTQLQIEISA-N	318.826	1.831	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1F)[C@H]1CCCc2nn[nH]c21	830782269	QWXJNRLICRGEAD-LURJTMIESA-N	311.267	1.785	50	20	DDGD	
CCCCOCC(=O)NNC(=O)c1ccc(OC)c(OC)c1	735630614	QQZBAZZCANSCCL-UHFFFAOYSA-N	310.350	1.282	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CSC(c2ccccc2)=N1)C1CCCC1	900174287	JGWQOGSLCNORNL-ZDUSSCGKSA-N	317.414	1.886	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@H]1CCN2CCC[C@@H]2C1	837596791	PFRQKEKDMBVFHI-WDEREUQCSA-N	311.336	1.613	50	20	DDGD	
CC(C)[C@H](CC(=O)NNC(=O)c1ncon1)c1ccccc1	832825874	KDQBFPKMTQQKIG-LBPRGKRZSA-N	302.334	1.661	50	20	DDGD	
CNC(=O)CCCC(=O)NNc1cccc(Br)n1	837211962	NBRDMIKTIHIXND-UHFFFAOYSA-N	315.171	1.204	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(Cl)c1Cl)S(C)(=O)=O	838341901	OEHHBSWIQWLJIR-ZCFIWIBFSA-N	311.190	1.870	50	20	DDGD	
C[C@@H]1Cc2cc(CNC(=O)/C(C#N)=C\c3cnn(C)c3)ccc2O1	830830088	YRGRZRXHKDCPPW-YNUIFBACSA-N	322.368	1.967	50	20	DDGD	
Cc1ncc2c(n1)CCC[C@H]2NC(=O)NNC(=O)C1CCC1	734950826	JHDOTZKWFQVPRW-CYBMUJFWSA-N	303.366	1.293	50	20	DDGD	
CC(C)N(CC(=O)NNC(=O)C1CC1)Cc1cccc(F)c1	733194546	ZDWFMTMFTRUDIG-UHFFFAOYSA-N	307.369	1.594	50	20	DDGD	
CC[C@@H](C)C(=O)NN=Cc1cnc2ccc(-c3nn[nH]n3)cn12	736319465	KZAIZHAFRLTHMY-SECBINFHSA-N	312.337	1.011	50	20	DDGD	
CCCn1cccc1C=NNC(=O)[C@H](C)CN1CCOCC1	918153205	VBKIZNGAKUFAHL-CQSZACIVSA-N	306.410	1.317	50	20	DDGD	
COCC[C@@H](C)NC(=O)NNc1ccc(C(=O)OC)c(F)c1	838118483	DJOXIDZWUJMIBS-SECBINFHSA-N	313.329	1.663	50	20	DDGD	
C#CC[C@@H](NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)C(=O)O	910054513	TVKCLHFTFCIRTA-MPXOCVNLSA-N	314.179	1.533	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2ccccc2C(=O)O)cs1	916320197	JDFZEIDKSUSXTC-UHFFFAOYSA-N	303.343	1.843	50	20	DDGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)c1ncccn1	743283470	BKXAMTMJFPUHCG-UHFFFAOYSA-N	322.777	1.683	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H](C)CCc1cccc(F)c1	843652813	LBJGCCZLCMMQAP-XUJVJEKNSA-N	322.380	1.967	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1ccc(Cl)cc1)c1cnn(C)c1	749874634	FGMDHVPIVLOPRQ-JTQLQIEISA-N	320.780	1.567	50	20	DDGD	
OC[C@@H]1CN(Cc2ccc(OCCCCl)cc2)CC[C@@H]1O	840974536	CISBUUXWHMJYHA-HOCLYGCPSA-N	313.825	1.869	50	20	DDGD	
Cc1cc(NNC(=O)c2ccnc(N3CCCCC3)n2)ncn1	740085812	MRBGTVSDLQNEEK-UHFFFAOYSA-N	313.365	1.322	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H](c1ccccc1)C1CC1	843663776	YGDNWLXHQNTNJQ-TUKIKUTGSA-N	302.374	1.753	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1ccc(OCC2CC2)nc1	749187309	IISCIWRFHDYRJL-UHFFFAOYSA-N	306.366	1.357	50	20	DDGD	
NNC(=O)CCc1nc(-c2cc(Br)cs2)no1	919683195	YPIIITLWPGSRJD-UHFFFAOYSA-N	317.168	1.483	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(OC2CCOCC2)cc1	742053930	VFZRRRXKJOLEDX-UHFFFAOYSA-N	307.350	1.208	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cccnc1SC(F)(F)F	910167536	HHBHSEPBONKLHY-SSDOTTSWSA-N	309.313	1.651	50	20	DDGD	
O=C(COC1CCOCC1)NNC(=O)c1cc2ccccc2o1	749474280	RQCXWJBXELINTH-UHFFFAOYSA-N	318.329	1.389	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)Cc2ccncc2)c1	747673132	VGGUNLWOJBUTNN-UHFFFAOYSA-N	300.387	1.950	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H](C)Cc1ccc(C#N)cc1	847392129	MTANSAJPFOPRHR-GFCCVEGCSA-N	302.378	1.867	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cccc(OCC#N)c2)n1	915950716	DMUSSLCDFHZPJB-UHFFFAOYSA-N	311.345	1.553	50	20	DDGD	
C[C@H]1CN(C)C(=O)CN1S(=O)(=O)c1ccc(CCl)cc1	914414416	UVEMSYOSYOBAAI-JTQLQIEISA-N	316.810	1.277	50	20	DDGD	
COC(=O)[C@@H]1CN(S(=O)(=O)CCl)C[C@H]1c1ccccc1	846010236	DQZPVCJJCVTIIO-NWDGAFQWSA-N	317.794	1.401	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccccc1OCC1CC1	843646907	KXYFRMHWYAJNAB-AAEUAGOBSA-N	318.373	1.661	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2cnccc2C)c1	741885427	LHVPGIYWJZYFLC-UHFFFAOYSA-N	315.329	1.482	50	20	DDGD	
CSCc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	843647107	NACNCNDXOADMAB-GWCFXTLKSA-N	308.403	1.736	50	20	DDGD	
Cc1nnc(NNC(=O)c2cc(Cl)nc(Cl)c2)nc1O	849366713	ARTLKPMZNIRYEP-UHFFFAOYSA-N	315.120	1.344	50	20	DDGD	
Cc1ccc2snc(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)c2c1	843660843	MGMWRDYKYASVNO-VHSXEESVSA-N	319.386	1.791	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1C(=O)Nc2c(C)ccc(C)c21	748260752	XPBGQNDZXPRPJS-NSHDSACASA-N	319.361	1.127	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1[C@H]2CCCO[C@@H]2C1(C)C	743442365	ZDJWOHSEVXGQMP-YPMHNXCESA-N	309.410	1.598	50	20	DDGD	
Cc1noc(C)c1C(C)(C)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843657916	TZXYBXFUSRANMO-KOLCDFICSA-N	309.366	1.141	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CC[C@H](CN)C2)c1	842010334	KJHREBCTHPYZEO-JQWIXIFHSA-N	306.366	1.227	50	20	DDGD	
CN(NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)C(N)=O	843844098	FXZQHRZSAGFSOF-JTQLQIEISA-N	314.386	1.065	50	20	DDGD	
Cc1ccc(Cl)c2c1NC(=O)C2=NNC(=O)[C@@H]1CCO[C@H]1C	842559780	XKBXQPWFSOVZEK-DTWKUNHWSA-N	321.764	1.846	50	20	DDGD	
CC(C)N1CCC[C@@H]1C(=O)NNC(=O)c1cccc(N(C)C)c1	929390067	CPCUJZJOYAGDBP-OAHLLOKOSA-N	318.421	1.386	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1cccc(Cl)c1)n1ccnc1	920451905	WHUOXYVWMDFHJF-JTQLQIEISA-N	306.753	1.949	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@](F)(CO)C2)C[C@@H]1Br	856957134	AEWSAKITRZEZOZ-JMJZKYOTSA-N	309.179	1.276	50	20	DDGD	
Cc1ccc(NNC(=O)CCC[C@]2(C)NC(=O)NC2=O)cc1F	856229914	BHHCSPFBBNDXGW-HNNXBMFYSA-N	322.340	1.346	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1ccc(C2CC2)nn1	757700835	USBDIIQHXDJPMH-UHFFFAOYSA-N	303.244	1.459	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CCC2)n(C2CCOCC2)n1	859329195	YPADZIZGBXJNJV-UHFFFAOYSA-N	306.366	1.104	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNC(=O)CC(F)(F)F)ccn1	759807217	WUXPYSQMJNLFNY-UHFFFAOYSA-N	305.256	1.582	50	20	DDGD	
C[C@]1(CNC(=O)NNc2ncccn2)C[C@H]1Br	856951216	RINPQQHUVKPBLN-GMSGAONNSA-N	300.160	1.276	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NC[C@@]2(C)C[C@@H]2Br)CCN1C	856840875	WAEWUDBDKNTIJV-HNCHTBHHSA-N	318.259	1.942	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)C2[C@H]3CCCCCC[C@H]23)n1	854231665	IXSKBZSQTPMGPD-KBPBESRZSA-N	318.421	1.864	50	20	DDGD	
CC(C)n1ncc(C(=O)NC[C@]2(C)C[C@@H]2Br)c1N	857394327	MFHYCVMPDGSQQB-CABZTGNLSA-N	315.215	1.950	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCC[C@H]2CCCCO2)c1	858353017	HJPYILBIUIHPLO-LLVKDONJSA-N	311.407	1.960	50	20	DDGD	
O=C(CNC(=O)Nc1cccc(Cl)c1)NN=c1cc[nH]cc1	857483298	ULBFJYMPKUAIFE-UHFFFAOYSA-N	319.752	1.422	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc(O[C@H](C)COC)cc1	853000434	BETZZOWIDDQNOU-NWFCWYBLSA-N	318.373	1.770	50	20	DDGD	
CC(C)(C)OC(=O)NC1CCC(=NNC(=O)c2cc[nH]n2)CC1	853392152	FIPRWPGTHUQEJK-UHFFFAOYSA-N	321.381	1.963	50	20	DDGD	
Cc1nocc1C=NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C	853378057	PLAJGPCWDFVCPX-TZMCWYRMSA-N	317.349	1.335	50	20	DDGD	
C[C@]1(CNS(=O)(=O)Cc2ccon2)C[C@H]1Br	856755526	VQRJSVPIOCTDHI-RKDXNWHRSA-N	309.185	1.268	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)CNc2ccccc2)s1	755503459	BXXVHTAEDDERJK-UHFFFAOYSA-N	303.391	1.771	50	20	DDGD	
CC(C)Cc1ncc(C(=O)NNC(=O)c2ccccn2)s1	929109604	DLSOQNWRPUEXQN-UHFFFAOYSA-N	304.375	1.811	50	20	DDGD	
COc1ccc(CCCC(=O)NNc2cnnn2C)c(OC)c1	857272695	FSZGOUGTSICOAL-UHFFFAOYSA-N	319.365	1.298	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNc1cccc(C(=O)OC)c1C	855628568	ZWTNQUXTSZRPDQ-JTQLQIEISA-N	307.350	1.139	50	20	DDGD	
CCc1[nH]nc(C(=O)NNc2cc(F)cc(OC)c2)c1[N+](=O)[O-]	759319362	LIJLMLJZQQTIPF-UHFFFAOYSA-N	323.284	1.785	50	20	DDGD	
COc1cc(OC)nc(C(=O)OC[C@H](C)CBr)n1	923365309	DZQOSQVOHGRHEU-SSDOTTSWSA-N	319.155	1.682	50	20	DDGD	
N#CCOc1ccccc1C(=O)NNC(=O)NCc1ccco1	920856023	YVGDXFOXZAIKTM-UHFFFAOYSA-N	314.301	1.326	50	20	DDGD	
CN(CCN(C)c1ccccc1)C(=O)NNC(=O)C1CCCC1	753355406	PRTIAPFCMYAICZ-UHFFFAOYSA-N	318.421	1.986	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F	756063016	DYRFIQOSDLQHON-UHFFFAOYSA-N	318.236	1.759	50	20	DDGD	
CC(C)c1nn(C)cc1C(=O)NNC(=O)c1cccc(Cl)n1	857325124	SZCHKUHOEJPGBJ-UHFFFAOYSA-N	321.768	1.667	50	20	DDGD	
COc1cc(CC(=O)NNC(=S)N[C@H](C)C2CC2)ccc1O	855095509	OHUPVIUBQVGZSS-SECBINFHSA-N	323.418	1.237	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)c1ccccc1F)C1CCCC1	852287448	YGCOXJWXIGHVNU-CQSZACIVSA-N	323.368	1.975	50	20	DDGD	
C=CCCn1cc(C=NNC(=O)COCc2ccccc2)nn1	853310060	MDUUJDYGVIFJOW-UHFFFAOYSA-N	313.361	1.521	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H](CN1CCCC1)c1ccccc1	854665938	JFSZTTFHWBTDBB-INIZCTEOSA-N	315.417	1.814	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H]2CCN(C3CC3)C2)C[C@H]1Br	856838656	DVTAXIBPLKXVTF-IRUJWGPZSA-N	316.243	1.696	50	20	DDGD	
Cc1nc2c(C(=O)NNC(=S)NCC3CCC3)ccnc2[nH]1	855089700	BWOQGPOHJDCMRE-UHFFFAOYSA-N	318.406	1.175	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H](C)N(CC)C(=O)OC(C)(C)C	858808525	IBBJDCNITKWEHZ-JTQLQIEISA-N	316.402	1.372	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H]1CCN(c2ncccc2F)C1	755309244	WWHWTOYTBGQPHO-LLVKDONJSA-N	323.372	1.176	50	20	DDGD	
C[C@H](NNC(=O)c1cn(C)nc1C(F)(F)F)C(F)(F)F	862310224	SAIBRHZNDUUOLH-BYPYZUCNSA-N	304.194	1.624	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](O)[C@H](C)c2ccccc2F)o1	866435653	CSFRLHJFEWYNQW-YGRLFVJLSA-N	320.320	1.653	50	20	DDGD	
CCc1noc(C)c1C(C)=NNC(=O)CNC(=O)c1ccco1	769793753	VAMNVZNGCGAFON-UHFFFAOYSA-N	318.333	1.409	50	20	DDGD	
CCO[C@H](CC(=O)NNC(=S)N[C@@H](C)C1CC1)C(C)C	760880692	NHJUTWMIUKMYLV-CMPLNLGQSA-N	301.456	1.731	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)NNC(=O)c2cc(C)cs2)C1	862478809	RCEHVJBIBRAYAU-AWEZNQCLSA-N	309.391	1.076	50	20	DDGD	
COC(=O)C12CCC(C(=O)NN[C@@H](C)C(F)(F)F)(CC1)C2	862318277	QIVDGJZAQCDBDU-RKWZHAFESA-N	308.300	1.682	50	20	DDGD	
CNC(=O)N1CCN(C(=O)[C@H](Br)C(C)(C)C)CC1	768222084	DFBHJACQZBJWKK-VIFPVBQESA-N	320.231	1.280	50	20	DDGD	
Cc1cc(C(=O)NN=C2C(=O)Nc3c(C)ccc(F)c32)n[nH]1	764796927	LQARRXDCEWLFIT-UHFFFAOYSA-N	301.281	1.252	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2cccc(OC(F)(F)F)c2)N1	863145118	JYWCIUQBYJELNV-JTQLQIEISA-N	315.251	1.314	50	20	DDGD	
CC[C@@](C)(NC(=O)NNc1nccc(OC)n1)C(F)(F)F	933513840	AQDZUQBLHVRJNG-SNVBAGLBSA-N	307.276	1.842	50	20	DDGD	
CC1=C(C(=O)NNc2cccc(C)n2)[C@H](C)n2ncnc2N1C	862521322	ZMZSAZFIRBGSHS-NSHDSACASA-N	313.365	1.410	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H](C)Sc2nnnn2C2CC2)n1	862523475	FNHXEBFISOAOBR-SECBINFHSA-N	319.394	1.335	50	20	DDGD	
CCC[C@H](C)N1C[C@@H](C(=O)NNc2cccc(C)n2)CC1=O	862523517	HHXNKYFHPSPELV-STQMWFEESA-N	304.394	1.870	50	20	DDGD	
CCOC(=O)CN(C(C)C)S(=O)(=O)CC(C)(C)CCl	866568870	GLFZXXWCZGNJSA-UHFFFAOYSA-N	313.847	1.855	50	20	DDGD	
COCC(=O)NN=Cc1csc(COc2ccccc2)n1	761818373	IUQZOPXTVFQDRB-UHFFFAOYSA-N	305.359	1.819	50	20	DDGD	
COc1ccc2c(c1)CC[C@@H](NCc1cccc(B(O)O)c1)C2	863890643	BBNRLKUCWQMHGG-QGZVFWFLSA-N	311.190	1.022	50	20	DDGD	
O=[N+]([O-])c1ccc(CS(=O)(=O)NCC(Cl)Cl)cc1	867471611	MRPHZUCEKLSIFX-UHFFFAOYSA-N	313.162	1.818	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](C)[C@H]2CCC(=O)N2)c1C	862185168	VNUWJESPNZSIOS-CMPLNLGQSA-N	319.361	1.139	50	20	DDGD	
Cc1c(C(=O)NNc2ccncn2)cnn1C1CCOCC1	1118778825	XTBNTIKPLIXWIP-UHFFFAOYSA-N	302.338	1.090	50	20	DDGD	
CCc1ncncc1C(=O)NNc1ncnc2ccsc12	766679119	QIYUOVFOQBSEEE-UHFFFAOYSA-N	300.347	1.801	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C=C2CCSCC2)cc1	1116460463	QSEBXPUOTWKTDK-UHFFFAOYSA-N	306.387	1.910	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@@H]1CCC=CO1	772997396	UQDKRYSSWFQNLZ-GWCFXTLKSA-N	324.764	1.947	50	20	DDGD	
COC(=O)COCCNC(=O)NNc1c(C)cccc1C(C)C	875847700	VHQYFIXZJZCOLM-UHFFFAOYSA-N	323.393	1.934	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C2CCOCC2)ccc1N(C)C	878212000	FPZYFVXCYZNPDC-UHFFFAOYSA-N	320.393	1.640	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CCCc1ccccc1	772009512	JOVMMXJVVGPVCM-LBPRGKRZSA-N	306.362	1.498	50	20	DDGD	
COCCCCC(=O)NNC(=O)c1nc2ccccc2s1	874913416	LJPMVWMDMRWIDV-UHFFFAOYSA-N	307.375	1.874	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)COCC2CC2)cc1	874950288	BHJIGKKLKROKSO-UHFFFAOYSA-N	322.434	1.497	50	20	DDGD	
CC[C@@H](CO)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874952963	NQBTXMYFNSRELL-JTQLQIEISA-N	310.423	1.089	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H](C)NC(=O)c1ccoc1	772875327	KZSYJUVPXFUKRK-JTQLQIEISA-N	317.349	1.455	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1C[C@H]1c1ccc(F)cc1	771915231	RSMIRUMORLGCPC-XDTLVQLUSA-N	322.336	1.418	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1nc(-c2ccccc2)oc1C	770542393	IPTPBFFAYZFGHX-UHFFFAOYSA-N	316.361	1.885	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc(F)cn1	770596432	VRFFPIKOEYGUSC-HNNXBMFYSA-N	315.304	1.901	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(C)(C)NC(=O)OC(C)(C)C	887143100	LGRHGOYSMDEAHO-UHFFFAOYSA-N	311.382	1.241	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1nccs1	770131016	AYWVJJLSPRQFME-UHFFFAOYSA-N	311.750	1.880	50	20	DDGD	
Cc1ccsc1CCNC(=O)NNC(=O)C1CCOCC1	883550761	XRPRAYDXIMEWQF-UHFFFAOYSA-N	311.407	1.356	50	20	DDGD	
C#CCSCC(=O)NNC(=O)CCc1ccc(OC)cc1	888400832	ODTHQLBFXHQBSC-UHFFFAOYSA-N	306.387	1.142	50	20	DDGD	
C=C1CCC(C(=O)OCC(=O)NNC(=O)c2cccs2)CC1	885653931	YZCTYMZAWNKJTO-UHFFFAOYSA-N	322.386	1.799	50	20	DDGD	
COC1CCC(=NNC(=O)Cc2cn3ccccc3n2)CC1	783850444	WOEKKUHROSYYKW-UHFFFAOYSA-N	300.362	1.938	50	20	DDGD	
COCCN(CCOC)C(=O)[C@@H](Br)C(C)(C)C	781066514	IBLRKXGMCUMPQM-SNVBAGLBSA-N	310.232	1.917	50	20	DDGD	
CCn1cc(CC(=O)NNC(=O)c2cc(Cl)ccc2O)cn1	781894356	TUYIRLLZVHQGFG-UHFFFAOYSA-N	322.752	1.266	50	20	DDGD	
C[C@H](CCc1cccn1C)NC(=O)NNc1ccc(C#N)cn1	888396644	BCBKZEQDQRUPME-GFCCVEGCSA-N	312.377	1.939	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNC(=O)CC(C)(C)C)c1ccnn1C	788113487	LPRTVJFSAXYXCW-GFCCVEGCSA-N	323.441	1.926	50	20	DDGD	
Cc1nc(NC(=O)NNC(=S)N[C@@H]2CCCC[C@@H]2C)no1	781111516	MSVCIYVJUPXUJW-IONNQARKSA-N	312.399	1.457	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)Cc1cncn1C	788624054	BZBRRIARAMKICF-UHFFFAOYSA-N	322.752	1.086	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)NC[C@@H]1CCC=CO1	780748390	AVWGCZQYELYKPN-ZDUSSCGKSA-N	323.780	1.906	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C2(SC)CCC2)nc1C	787500476	LHMSCMUZPHWUIE-UHFFFAOYSA-N	324.406	1.691	50	20	DDGD	
Cc1ccncc1[C@H](C)N[C@@H](C)C(=O)NNC(=O)CC(C)C	783000888	CNQLYYVGQWFALQ-STQMWFEESA-N	306.410	1.623	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)n1	794084539	SDPMKSBWYZPRLS-GOGUNFLPSA-N	323.396	1.545	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2CC(=O)c3ccccc32)n1	794080800	RHWNVFMGSPLSSZ-CYBMUJFWSA-N	309.325	1.521	50	20	DDGD	
COc1ccc2c(c1)OCC2=NNC(=O)c1ccc(O)c(O)c1	794550655	GZLAKZITFNLWPC-UHFFFAOYSA-N	314.297	1.633	50	20	DDGD	
Cc1nnc(NNC(=O)C[C@H](CC#N)c2ccccc2)nc1O	794907034	NGIJSYOTWAMVEZ-LBPRGKRZSA-N	312.333	1.416	50	20	DDGD	
COc1ccc(C(=O)N2CC=C(C#N)CC2)cc1OCCO	798336901	ORQDDFUGKSCQHC-UHFFFAOYSA-N	302.330	1.362	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CO[C@@H]2CCCC[C@@H]2C)n1	794088050	VCYGMRKUKAYZBS-SMDDNHRTSA-N	305.378	1.746	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1c(F)cccc1Br	794534787	DDDATRQFHWKUKG-UHFFFAOYSA-N	303.131	1.809	50	20	DDGD	
Cn1ccnc(NNC(=O)C[C@@H](CC#N)c2ccccc2)c1=O	795161259	UFIJKXULYNFYAS-CYBMUJFWSA-N	311.345	1.311	50	20	DDGD	
O=C(CCc1ccncn1)NNc1cccc(F)c1[N+](=O)[O-]	790592562	ZTHHSORHSGQKAU-UHFFFAOYSA-N	305.269	1.600	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1ccc2c(c1)C(=O)NCC2	792313860	WJCZZDDBMDQQPH-UHFFFAOYSA-N	311.345	1.825	50	20	DDGD	
O=C(CC1OCCO1)NNc1ccccc1Br	793709338	QCXJUNAUFZGNHW-UHFFFAOYSA-N	301.140	1.655	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1n[nH]cc1C	799409133	NIZUACJTEPGZRS-UHFFFAOYSA-N	308.725	1.455	50	20	DDGD	
C[S@@](=O)c1ccc(C=NNC(=O)NCC(F)(F)F)cc1	1318932882	FXCJDEMHUKUCPF-HXUWFJFHSA-N	307.297	1.619	50	20	DDGD	
CC(C)CSCCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C	1325975364	JNXMZSKKVVBCLO-QWRGUYRKSA-N	303.428	1.131	50	20	DDGD	
CCSc1cccc(NC(=O)NNC(=O)C2CCNCC2)c1	1328680552	GHZCMRGAVJJJEE-UHFFFAOYSA-N	322.434	1.951	50	20	DDGD	
CN(CCC(F)(F)F)CC(=O)NNC(=O)c1cccs1	104678193	OPMDTVPOTMOCNR-UHFFFAOYSA-N	309.313	1.393	50	20	DDGD	
CCN1CCN(Cc2ccccc2CNC(=O)CCl)CC1	1253962769	BBETWVNPJMYKFL-UHFFFAOYSA-N	309.841	1.679	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CC(C1CC1)C1CC1	1255111970	ZKGSAHOEBDZMFP-NSHDSACASA-N	324.421	1.938	50	20	DDGD	
Nc1ccc(C=NNC(=O)CNC(=O)c2ccco2)cc1Cl	1335498127	GLVWMHAXJSJYKF-UHFFFAOYSA-N	320.736	1.395	50	20	DDGD	
O=C(NN=C1CCCC[C@@H]1N1CCCCC1)c1cccnn1	1262038006	SVNKQKZUBCOGFJ-HNNXBMFYSA-N	301.394	1.991	50	20	DDGD	
CC(C)(CCC(=O)NNC(=O)c1ccccc1Cl)[N+](=O)[O-]	1347781552	GMRUGVWYFOTLEN-UHFFFAOYSA-N	313.741	1.937	50	20	DDGD	
Cn1c(C(=O)NNc2ccc(C(C)(C)C)nn2)cnc1Cl	1350350576	QVFPFCDVSKDHPB-UHFFFAOYSA-N	308.773	1.918	50	20	DDGD	
CSCCNC(=S)NNC(=O)CCc1cccc(O)c1	1519847307	BOPFKVNCKLFRFX-UHFFFAOYSA-N	313.448	1.183	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)N[C@H]1CCNC12CCC2	1601558906	IFOHXGIBAQDCNS-LBPRGKRZSA-N	304.350	1.296	50	20	DDGD	
Cc1nc(O)ccc1C(=O)NNc1ccc(C(=O)O)c(F)c1	1600719772	MXVMCOJKZQUOOC-UHFFFAOYSA-N	305.265	1.690	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NN(C)c2ccccc2)c(C(=O)O)[nH]1	1607673719	LHGISNODFQBAOL-UHFFFAOYSA-N	316.317	1.127	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@]2(C)C[C@H]2Br)C[C@H]1CC(=O)O	1607429782	BNYIRLCAVNEUFN-MFYTUXHUSA-N	304.184	1.729	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2snc(O)c2Cl)c1	1602447172	SPEQBQOIIBDIAQ-UHFFFAOYSA-N	313.722	1.957	50	20	DDGD	
CCc1nn(C)c(Cl)c1C(=O)NNc1ccc(C(=O)O)cn1	1605865558	BSTFEBBUWGWSGW-UHFFFAOYSA-N	323.740	1.486	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNc1ccc(C(=O)O)cc1F	1600808175	KCDBDUGHNXFWFH-UHFFFAOYSA-N	307.281	1.815	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cc(C(=O)O)ccn2)c(C)o1	1605120718	PAPZKACWWJRUOR-UHFFFAOYSA-N	318.289	1.456	50	20	DDGD	
Cc1cc(=NC(=O)NNc2ccc(CC(=O)O)cc2)cc(C)[nH]1	1600270727	NOIZJQXTQRFOOK-UHFFFAOYSA-N	314.345	1.896	50	20	DDGD	
O=C(CNCC(F)(F)F)NNc1ccc(C(=O)O)c(F)c1	1608341589	HOZMIWKGSDHNHK-UHFFFAOYSA-N	309.219	1.119	50	20	DDGD	
Cc1nnsc1CNC(=O)NNc1cccc(C(=O)O)c1	1610574583	UMEPJGKQAVRKQF-UHFFFAOYSA-N	307.335	1.371	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ncc[nH]1)C2	1800069373	FVJMZKQMRKYMOF-WRWGMCAJSA-N	324.812	1.679	50	20	DDGD	
O=C(NN[C@H](Cc1ccc(F)cc1)C(=O)O)c1ccccc1	1610701542	SIRXNDXVPMCWHL-CQSZACIVSA-N	302.305	1.756	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NC1(CO)CCNCC1	1575106358	MASVTPQDIWLSKQ-VIFPVBQESA-N	307.232	1.027	50	20	DDGD	
CCS(=O)(=O)Nc1cccc(C(=O)N2CC=C(C#N)CC2)c1	1649747550	YWARWBGTRIMGMN-UHFFFAOYSA-N	319.386	1.744	50	20	DDGD	
Cc1cc(F)c2c(c1)N[C@@H](C(=O)NNc1ccc(C#N)cn1)C2	1579612168	YOWBOEPZROSUAR-CQSZACIVSA-N	311.320	1.881	50	20	DDGD	
C[C@]1(C(=O)NNc2ncccc2C(=O)O)C[C@H]1Br	1589181049	BKWOKUCFDHKOHC-HQJQHLMTSA-N	314.139	1.396	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)/C=C/c1ccc(C(=O)O)o1)C1CC1	1589121380	KEVVVHDHUDBXQT-IVGLGHLBSA-N	323.374	1.285	50	20	DDGD	
C=C(CBr)CN(CCC(=O)O)CC(OC)OC	1588606337	XPHDQOWGCHMBMQ-UHFFFAOYSA-N	310.188	1.333	50	20	DDGD	
C/C=C(\C)C(=O)N1CCCC12CN(C(=O)[C@H](Cl)COC)C2	1845967398	ZPAMYMRNURZAJW-KBVBDRTLSA-N	314.813	1.410	50	20	DDGD	
Cn1cccc1C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843363281	XICDDRPLZJYAOZ-NSHDSACASA-N	313.760	1.377	50	20	DDGD	
CC(C)n1cnc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1	1589783586	FTANTECOMDRZEH-UHFFFAOYSA-N	312.337	1.401	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(C(=O)O)cc1F)c1ccnn1C	1589422399	GJJSOMBQHRQUJT-QMMMGPOBSA-N	306.297	1.504	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)COC(C)C	1847337343	RBPSFYOEXBLRFK-AVGNSLFASA-N	316.829	1.631	50	20	DDGD	
Cc1cnoc1C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843364907	LKMMRXMCMQIBJQ-SNVBAGLBSA-N	315.732	1.334	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)c1ccncn1	1593161995	KZTAGLHSJKQJMZ-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
CCOCCCC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1590809589	CWICHLWLNWUMPO-UHFFFAOYSA-N	323.357	1.238	50	20	DDGD	
O=C(NCC(Cl)Cl)Nc1sccc1-c1nn[nH]n1	1593008927	VYNWFCHVGAYXPN-UHFFFAOYSA-N	307.166	1.853	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1c[nH]c2ccc(C(=O)O)cc12	1777033747	ISRVJWBSGFPMSF-WZUFQYTHSA-N	319.342	1.622	50	20	DDGD	
O=C(O)COc1ccccc1C=NNC(=O)c1cccc(F)n1	1776093757	JECVYRGHDBXZHB-UHFFFAOYSA-N	317.276	1.448	50	20	DDGD	
O=C(NN=Cc1cccc2ncnn12)Nc1ccc(C(=O)O)cc1	1776047029	RVOGYCGROVIUNO-UHFFFAOYSA-N	324.300	1.583	50	20	DDGD	
C[C@@H]1C(=NNC(=O)c2cccnn2)CC[C@@H](C(=O)O)C1(C)C	1776103345	DRYPTHGAEJKQNH-ZJUUUORDSA-N	304.350	1.719	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC1(F)F)[C@H](F)Cl	1797733159	ASJXYVKKKHNRJC-SVSWQMSJSA-N	324.730	1.814	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc(N2CCCC2=O)cc1	17398191	FTKKCQSPNLMEIJ-UHFFFAOYSA-N	319.361	1.983	50	20	DDGD	
Cc1noc(C2CC2)c1C(=O)NNC(=O)c1ccccc1O	161503642	PBHJMCFSJGBLDC-UHFFFAOYSA-N	301.302	1.641	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)C1CCC(C)(C)CC1	158713486	UPGLWNKMRJFIFY-UHFFFAOYSA-N	311.426	1.655	50	20	DDGD	
Cc1ccc2c(c1)[C@@H](NC(=O)NNC(=O)c1ccc(C)o1)CO2	151700053	IXPNMLXUWRJUAK-LBPRGKRZSA-N	315.329	1.974	50	20	DDGD	
C[C@H](CC1CCCC1)C(=O)NNC(=O)C(=O)Nc1ccccn1	152106486	OHNTVDJNLOXKSW-LLVKDONJSA-N	318.377	1.384	50	20	DDGD	
Cc1cc(C)c(NNC(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)c(C)c1	152383889	GCSPJBKICCFQFH-GJZGRUSLSA-N	320.437	1.957	50	20	DDGD	
CCc1ccc(NC(=O)NNC(=O)C(=O)N2CCCC2)cc1	152822293	BITPSMKZSSXVGH-UHFFFAOYSA-N	304.350	1.024	50	20	DDGD	
Cc1cc(N(C)C)cc(C)c1NC(=O)NNC(=O)CN(C)C	156230335	SYEGVGKTHRVBPQ-UHFFFAOYSA-N	307.398	1.084	50	20	DDGD	
COc1ccc(NNC(=O)Cc2ccc(O)cc2)c([N+](=O)[O-])c1	155296640	PQGPHRJSBMKBHX-UHFFFAOYSA-N	317.301	1.995	50	20	DDGD	
CCc1ccsc1C(=O)NNC(=O)CNC(=O)c1ccco1	156836112	NQGGGNMOUMIHGH-UHFFFAOYSA-N	321.358	1.095	50	20	DDGD	
CCN1CCN(S(=O)(=O)c2ccc(CCl)cc2)CC1=O	914367551	RVAXGVWQJDTEIX-UHFFFAOYSA-N	316.810	1.278	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCC[C@H](C2OCCO2)C1	187129256	RSXMAYOTYDFMAL-NSHDSACASA-N	311.831	1.420	50	20	DDGD	
Cc1ccnn1-c1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1	6991823	IGPZDTNEGWNJLQ-UHFFFAOYSA-N	309.329	1.584	50	20	DDGD	
CC[C@H](Cc1ccccc1)NC(=O)NNC(=O)c1ccc[nH]1	170818320	NOZISYAWAPJSPQ-CYBMUJFWSA-N	300.362	1.980	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(-n3ccnc3)cc2)n1	174472967	JEZVZMVYECUDFT-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
CC(=O)c1csc(C(=O)NNC(=O)Cn2nc(C)cc2C)c1	106728627	CINOTCISAZOQEZ-UHFFFAOYSA-N	320.374	1.225	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CCCOC1	171024985	VVUXPLYQEJAFPU-QWRGUYRKSA-N	310.325	1.167	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)c2c[nH]nc2C)c1	110760042	JKYKERZATCGGNT-UHFFFAOYSA-N	302.334	1.257	50	20	DDGD	
Cc1cc(C)cc(OCCC(=O)NNC(=O)Cc2cc[nH]n2)c1	106418062	PJUGPWLNWFDEKF-UHFFFAOYSA-N	316.361	1.186	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1cnn(C)c1)c1ccc(F)cc1	117679964	VOVXKZXGIKGEFQ-JTQLQIEISA-N	304.325	1.514	50	20	DDGD	
COc1cccc([C@@H](C)C(=O)NNc2ncnc3nc[nH]c23)c1	173958628	OTRRLMXOMCMILU-SECBINFHSA-N	312.333	1.608	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1OC	28617899	RWOSHSLPSXNPPR-ZDUSSCGKSA-N	322.361	1.424	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCSc2ccccc2)cn1	117680871	VKEGDWJOAYMHSR-UHFFFAOYSA-N	304.375	1.364	50	20	DDGD	
COc1ccc(C)cc1CC(=O)NNC(=O)c1ccc(C#N)cc1	61473818	YHTLZUFVQYRSPT-UHFFFAOYSA-N	323.352	1.879	50	20	DDGD	
CC[C@H](CC(=O)NNC(=O)N1CCOCC1)c1ccccc1	171535305	RRTBASSVXQJTIO-CYBMUJFWSA-N	305.378	1.643	50	20	DDGD	
C[C@H](CCC1CCCCC1)NC(=O)NNC(=O)C(=O)NC1CC1	115847943	FWZXGOXLFJAVIY-LLVKDONJSA-N	324.425	1.344	50	20	DDGD	
O=C(CNC(=O)c1ccccc1)NNC(=O)c1ccccc1F	26690745	VABGUIDHJLRNGQ-UHFFFAOYSA-N	315.304	1.017	50	20	DDGD	
CCO[C@H](C)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	112824889	BZZZEFXXIXZECD-LLVKDONJSA-N	302.334	1.058	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Cc1c[nH]c2ncccc12	119811968	HPZCWXCFQKYJKL-UHFFFAOYSA-N	324.340	1.575	50	20	DDGD	
Cc1cc([C@@H](C)NC(=O)NNC(=O)Cc2ccncc2)c(C)o1	176280590	SREFYERMYCJBRD-LLVKDONJSA-N	316.361	1.926	50	20	DDGD	
CCOc1ccc(C(=O)CCC(=O)NNC(=O)NC2CC2)cc1	64429005	WELDHMUPFOHECZ-UHFFFAOYSA-N	319.361	1.541	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NC1CCSCC1	66978001	AHTSYDHORSGQHS-UHFFFAOYSA-N	311.382	1.594	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(F)c2F)o1	129627548	ROUBNYSVYPTPOJ-UHFFFAOYSA-N	323.255	1.266	50	20	DDGD	
Cc1ccccc1-n1cc(C(=O)NNc2ncc(F)cn2)cn1	123164389	CZTNNRPDEMOIRR-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNC(=O)NCc1ccco1	127715726	XYEMDAKIKSCGLP-UHFFFAOYSA-N	320.349	1.466	50	20	DDGD	
CC(=O)N(C)CC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	73520937	HSAPWFGFLVGTAC-SECBINFHSA-N	323.418	1.112	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC[C@H]2CCCC[C@H]2C)n1	127730763	CIROSYSODDWQLM-BXUZGUMPSA-N	321.425	1.657	50	20	DDGD	
O=C(COC(=O)c1cccs1)NNC(=O)c1cccs1	39585445	ULCHRUBCDRGYAU-UHFFFAOYSA-N	310.356	1.428	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)Nc2cccnc2)c1	73117799	IZEZYHQJIPYTNS-UHFFFAOYSA-N	314.345	1.930	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cc(F)ccc2F)nc(C)n1	130476341	MSAZSJNLSVZSFO-UHFFFAOYSA-N	321.287	1.453	50	20	DDGD	
Cc1nn(CCC#N)c(C)c1CCC(=O)NNc1ccncc1	180518229	XSHMGYRIZCSZTK-UHFFFAOYSA-N	312.377	1.885	50	20	DDGD	
O=C(CCc1nnc[nH]1)NNc1ccc(OC(F)(F)F)cc1	134264541	GITNJISKFNNRTK-UHFFFAOYSA-N	315.255	1.779	50	20	DDGD	
Cn1cc(Cl)cc1C(=O)NNc1cc(Cl)nc(N)n1	133954875	LOSRNZTZSOHKMI-UHFFFAOYSA-N	301.137	1.461	50	20	DDGD	
O=C(NNc1c(F)cccc1F)C(=O)Nc1ccc(F)cn1	193883641	ITVVLIVXFNMZLM-UHFFFAOYSA-N	310.235	1.581	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)NCC(F)(F)F)c1	46916850	NIDOGHQVODFLAA-UHFFFAOYSA-N	321.255	1.210	50	20	DDGD	
CCCCC[C@H](C)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1	42994868	NCVNJJCISZKCPX-WCQYABFASA-N	305.444	1.336	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)n[nH]1	44978031	AINYZWWGBNSHPT-UHFFFAOYSA-N	304.325	1.676	50	20	DDGD	
CCc1c(C(=O)NNC(=O)NC)cnn1Cc1ccccc1	97714373	YPQVTUFUFYXEBY-UHFFFAOYSA-N	301.350	1.068	50	20	DDGD	
C[C@@H]1CC[C@@H](NC(=O)NNC(=O)Cc2ccncc2)C[C@H]1C	248566812	BWPZMRQVHQKBIF-YRGRVCCFSA-N	304.394	1.779	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)N[C@@H]1CCSC1	266596466	NSNDNABFXFNGQH-SECBINFHSA-N	313.354	1.040	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cccc(OC[C@@H]2CCCO2)c1	264788222	RJYNCJHQNQBYBX-HNNXBMFYSA-N	318.373	1.806	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NO[C@@H]1CCCCO1	275087594	HDGDUTFRRVFRNA-CQSZACIVSA-N	323.349	1.026	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2CC(=O)c3ccccc32)n1	276571038	RRYQSSGKISWPOT-GFCCVEGCSA-N	312.329	1.607	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccccc1OC(F)(F)F	271724025	QRVAHNWELROQLK-UHFFFAOYSA-N	305.256	1.938	50	20	DDGD	
CC(=O)NNC(=O)CCc1cc(F)ccc1Br	273084241	RHHXGKMKQIMITO-UHFFFAOYSA-N	303.131	1.688	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCN3CCC[C@H]3C2)o1	375960085	HZYKKXGHCMLZTQ-RYUDHWBXSA-N	306.366	1.159	50	20	DDGD	
COc1ccc(NNC(=O)NCc2ccc(N(C)C)nc2)nc1	275984202	PEXZSLCLPUWWDU-UHFFFAOYSA-N	316.365	1.378	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@H](NC(=O)NNC(=O)c2ccccc2F)C1(C)C	271789531	GHMNCBCIUNTWJQ-JIMOISOXSA-N	323.368	1.829	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1cccc(OCCC(C)C)c1	274147721	CICUXKDIGXBYAG-UHFFFAOYSA-N	323.349	1.437	50	20	DDGD	
COC[C@H](CNC(=O)NNC(=O)CCCc1ccccc1)OC	272995259	QQHNWKYFOSECLN-AWEZNQCLSA-N	323.393	1.001	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)c1ocnc1C1CC1	289093255	LMSDPPWUXKLEPL-UHFFFAOYSA-N	319.292	1.531	50	20	DDGD	
CCN1CCOC[C@@H]1C(=O)NNc1ncc(Cl)cc1Cl	376938749	DKCLFJHBYDVCQD-SNVBAGLBSA-N	319.192	1.552	50	20	DDGD	
CN([C@@H]1CCCc2c1cnn2C)S(=O)(=O)CBr	374675372	DADXPAKIOFBQEO-SNVBAGLBSA-N	322.228	1.412	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CCc2cncn2C)n1	283321182	IULUTWCWCMFAIK-UHFFFAOYSA-N	317.397	1.132	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@H](C)C(=O)NNc1cccc(F)n1	286127275	AXKZPSYKSRUWLH-VIFPVBQESA-N	305.357	1.893	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCc1ccco1)C1CCOCC1	280437549	AQPKLNFFGMSJRK-UHFFFAOYSA-N	309.366	1.563	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H](c2nncn2C)C(C)C)nc1	286695916	BBFSKNJGLREGNJ-GFCCVEGCSA-N	319.369	1.242	50	20	DDGD	
CC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1	298191836	HRFPZMGBSOHPJQ-UHFFFAOYSA-N	320.349	1.612	50	20	DDGD	
CC(C)NC(=O)NNC(=O)COc1cccc2ccccc12	299306395	QGPOMVSCBXVUIH-UHFFFAOYSA-N	301.346	1.957	50	20	DDGD	
COc1ccc(NNC(=O)NCCCCCN2CCCC2)nc1	296498951	BGLUNJHQLWIPQG-UHFFFAOYSA-N	321.425	1.982	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)CCOC(C)C	298271201	CMEZVCRIFQDPFZ-UHFFFAOYSA-N	324.377	1.427	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCC[C@H](C)[C@H]1C	299221299	INGLVFDWOMMJGN-DZGCQCFKSA-N	317.433	1.805	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncccn1)[C@@H]1OCCc2sccc21	292173794	OGCMIVWTSVKNDO-SKDRFNHKSA-N	319.390	1.867	50	20	DDGD	
Cn1nnc2c(C(=O)NNc3cc(Cl)ccn3)ccnc21	801184434	UWDZMAQQUAPMBP-UHFFFAOYSA-N	303.713	1.169	50	20	DDGD	
O=C(NNC(=O)c1ccc(F)cn1)Nc1ccc2c(c1)OCO2	802103939	MQDIEHOBUKPMSW-UHFFFAOYSA-N	318.264	1.416	50	20	DDGD	
Cc1ccc(CCC(=O)NNC(=O)Cc2ccncc2)s1	290397438	SHQJEXUFPXWLFD-UHFFFAOYSA-N	303.387	1.774	50	20	DDGD	
CCOc1cccc(NC(=O)C(=O)NNc2cccc(F)n2)c1	807392110	SCOCOXBDHLGIDP-UHFFFAOYSA-N	318.308	1.701	50	20	DDGD	
COCCN(C)NC(=O)[C@@H](C)Cc1ccc(OC)c(OC)c1	297216829	XHOBUYTXYMACRJ-LBPRGKRZSA-N	310.394	1.492	50	20	DDGD	
C[C@@H](CN(C)C)NC(=O)NNC(=O)CCCc1ccccc1	807577081	BVNQQKVPKKMLMS-ZDUSSCGKSA-N	306.410	1.290	50	20	DDGD	
CCCN(CC)C[C@@H](C)NC(=O)NNC(=O)Cc1ccncc1	290933645	LAOYVHDOPAUWGM-CYBMUJFWSA-N	321.425	1.075	50	20	DDGD	
CC(=O)c1cc(NC(=O)NNC(=O)Cc2cc[nH]n2)ccc1F	806579420	GMYHUXHSCCEXLF-UHFFFAOYSA-N	319.296	1.147	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@H]1[C@@H]2c3ccccc3C[C@H]21	296340464	CGFKKJMRNCBTEM-LXTVHRRPSA-N	315.373	1.224	50	20	DDGD	
CCCOc1ccc(OCC(=O)NNc2ncncc2F)cc1	294591636	MPEHWVQRPKRNCI-UHFFFAOYSA-N	320.324	1.927	50	20	DDGD	
C[C@](O)(C(=O)NNc1ccc(S(C)(=O)=O)cc1)C1CCC1	813494176	AIRZLMFJFKKFEV-CQSZACIVSA-N	312.391	1.084	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NN=Cc2snnc2C)c1	814213625	PWENXAFDPJMPTH-UHFFFAOYSA-N	304.375	1.992	50	20	DDGD	
COC(=O)C1(CS(=O)(=O)NCCSSC)CCC1	812509094	DFPHJGXVYUHQAZ-UHFFFAOYSA-N	313.466	1.260	50	20	DDGD	
CN1CC2(CCN(C(=O)[C@@H](Br)C(C)(C)C)C2)C1	819526088	YXGNVWQFYOFIQA-SNVBAGLBSA-N	303.244	1.960	50	20	DDGD	
Cc1cc(F)ccc1NC(=O)C(=O)NNc1ncncc1F	815763940	JHHRWLXQMPSBPB-UHFFFAOYSA-N	307.260	1.145	50	20	DDGD	
Cn1nncc1NNC(=O)c1cccc(Oc2ccncc2)c1	816770117	KIEXKEFQWMSUJY-UHFFFAOYSA-N	310.317	1.759	50	20	DDGD	
CN1CCc2[nH]c3ccc(C(=O)NNc4ncccn4)cc3c2C1	816849000	OLWZEKPRNZLOMI-UHFFFAOYSA-N	322.372	1.703	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC(F)(F)[C@@H](C)C1	810045646	SCCYOYAGZQHMRB-QWRGUYRKSA-N	305.369	1.546	50	20	DDGD	
COCCOC[C@@H](C)NC(=O)NNc1cccc(Cl)n1	814309583	DEWOSBRQXXJQMZ-SECBINFHSA-N	302.762	1.413	50	20	DDGD	
COCC(=NNC(=O)N1CCN(C)CC1)c1ccc(Cl)cc1	814912075	IUFLUQJZFUSQBH-UHFFFAOYSA-N	324.812	1.648	50	20	DDGD	
Cc1cc(Br)ccc1CC(=O)NNc1cnnn1C	816771123	ZGTMDSBXCYTWGP-UHFFFAOYSA-N	324.182	1.572	50	20	DDGD	
CSCCCC=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1	814766976	UYBMFYUOBLREFJ-RDBSUJKOSA-N	315.483	1.977	50	20	DDGD	
CN(NC(=O)CCC(=O)c1ccc2c(c1)OCCCO2)C1CC1	819641444	WLRZFXHOQUBGSM-UHFFFAOYSA-N	318.373	1.936	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)c1ccc2c(c1)OCO2	811629717	CQHUNWJWNCYIDD-NSHDSACASA-N	303.318	1.190	50	20	DDGD	
Cc1ccc(O)cc1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	811311656	NADUQKRRFOIJMV-NSHDSACASA-N	322.361	1.439	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1ccc(S(C)(=O)=O)cc1	818287172	IQDBBFGGXRDTCM-UHFFFAOYSA-N	318.358	1.034	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](CO)CN(C)C)cc1	819825779	XDSZGXNDVFXDGH-MZLJFPOFSA-N	317.389	1.031	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@](C)(O)C2CCC2)cc1OC	813364031	CRGYDLWULATBSE-MRXNPFEDSA-N	322.361	1.016	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=Cc1cnn(C)c1N	814723882	FIJHBGFWQOPQIH-UHFFFAOYSA-N	301.350	1.094	50	20	DDGD	
O=C(NCc1ccc(C(=O)O)cc1)NNC(=O)C1CCCC1	819194570	FFNLCEUUPNHZJT-UHFFFAOYSA-N	305.334	1.405	50	20	DDGD	
CCN(CC)C(=O)c1ccc(C(=O)NNC(=O)CC(C)C)cc1	729310055	ROXMPNREVNYCFQ-UHFFFAOYSA-N	319.405	1.976	50	20	DDGD	
COc1ccc(OC)c(NC(=O)NNc2ncncc2F)c1	814485212	AAYZIJVLXWQEAV-UHFFFAOYSA-N	307.285	1.782	50	20	DDGD	
CN(C)CC(=O)NN=C1C(=O)Nc2c1ccc(Cl)c2Cl	727647793	IGSQTYQXEVDYIG-UHFFFAOYSA-N	315.160	1.327	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCC(=O)c1c(F)cccc1F	823907229	KFMCJMFMKATVJV-VIFPVBQESA-N	300.305	1.272	50	20	DDGD	
O=C(CN1CCOC1=O)NNc1ccccc1Br	821148218	QCVLSFUXCWOZQV-UHFFFAOYSA-N	314.139	1.344	50	20	DDGD	
CSc1ccc(CCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	823476419	XRGNQVJSBOIDOJ-SMDDNHRTSA-N	322.430	1.914	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1cccc(C#N)c1	494436094	WGEYLEGVRCPRBN-UHFFFAOYSA-N	302.334	1.533	50	20	DDGD	
COC[C@H](NC(=O)NNc1ncccn1)c1cccc(OC)c1	821231309	GQLKCRWOYFBOEI-ZDUSSCGKSA-N	317.349	1.499	50	20	DDGD	
COCCOc1ccc(Cl)cc1C(=O)NN(C)[C@H](C)CO	823946330	HJIJXRYCLZJUPP-SNVBAGLBSA-N	316.785	1.323	50	20	DDGD	
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)/C(C#N)=C\c1cnn(C)c1	491088312	ZGUUFPRYNHFIGX-LEOYGJCHSA-N	315.421	1.564	50	20	DDGD	
CCO/C=C/C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	492927973	SJKMBLLANICXCI-VOTSOKGWSA-N	324.333	1.024	50	20	DDGD	
Cc1nn(CC(=O)NN(C)[C@H](C)CO)cc1-c1ccccc1	823928430	MXSPDGNGPOGYRP-GFCCVEGCSA-N	302.378	1.202	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C[C@@H]1CC[C@H]2C[C@@H]12	825529720	MSADZQDQMBFNRM-SGMGOOAPSA-N	302.374	1.821	50	20	DDGD	
CN(C)C[C@H]1CCCCN1C(=O)/C(C#N)=C/c1cnn(C)c1	491159408	IPNCEYOXAMMBJL-UJMHRVFCSA-N	301.394	1.270	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H](c1ccccc1)[C@@H]1CCCO1	585020188	ZCHWHSWTRJDKHE-ROUUACIJSA-N	311.190	1.376	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCc2cc(F)ccc2C1	827281673	JIKRUJAJMCGMPH-HZMBPMFUSA-N	321.352	1.350	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCC2Cc3ccccc3C2)cn1	491131107	KNFITDAFFOOUTL-CAOOACKPSA-N	306.369	1.858	50	20	DDGD	
CC1(C)COCCN1CCNC(=O)[C@]1(C)C[C@H]1Br	906555477	MYTXAPURDYSDBF-ZWNOBZJWSA-N	319.243	1.387	50	20	DDGD	
Cc1ccc(NNC(=O)Nc2ccc(-c3nn[nH]n3)cc2)nn1	737362115	NMQNLDALFIJUHP-UHFFFAOYSA-N	311.309	1.114	50	20	DDGD	
CC(C)[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)C(F)(F)F	826593036	PHXWISRQANGWFR-VGMNWLOBSA-N	311.304	1.329	50	20	DDGD	
CNC(=O)Nc1ccc(C(=O)NNC(=O)CC(F)(F)F)cc1	823369392	YNQKGONWEBBRSY-UHFFFAOYSA-N	318.255	1.151	50	20	DDGD	
Cc1ccc(C(=O)NN(C)[C@@H](C)CO)c(Br)c1	823939773	OYHUMDOUSMYMFV-VIFPVBQESA-N	301.184	1.715	50	20	DDGD	
N#CSCCCNS(=O)(=O)c1ccc2c(c1)OCCO2	826749508	MQOYWYUWSVTZOG-UHFFFAOYSA-N	314.388	1.340	50	20	DDGD	
CC(C)(C)[C@@H]1OCCC[C@H]1CNCc1cccc(B(O)O)c1	585024122	UDFYGNFALNPFAR-GOEBONIOSA-N	305.227	1.297	50	20	DDGD	
O=C(Cc1cccc(O)c1)NNc1cccc(-c2nn[nH]n2)c1	826423619	YGQPLIFBDUWSFT-UHFFFAOYSA-N	310.317	1.258	50	20	DDGD	
Cc1ccoc1C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	495209256	WZUUMQXQGROXSE-UHFFFAOYSA-N	311.338	1.264	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NNC(=O)Nc1ccc(Cl)cc1	490906568	DJRGUWFEDCVBDC-HJWRWDBZSA-N	308.725	1.937	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2C[C@@H]3c4ccccc4CC[C@@H]32)cc1	585049840	LFHZFRJRQROVMW-IPMKNSEASA-N	307.202	1.575	50	20	DDGD	
C[C@@]1(C(=O)OCC(=O)NNC(=O)c2ccccc2)CC=CCC1	838178587	MTLPBWMWBNBILG-QGZVFWFLSA-N	316.357	1.737	50	20	DDGD	
CO[C@@H]1C[C@H](NC(=O)NNc2nc3ccccn3n2)C12CCC2	838770492	XLBTXOBFNPJIPL-WDEREUQCSA-N	316.365	1.313	50	20	DDGD	
OB(O)c1ccc(CN[C@H](c2ccc(F)cc2F)C2CC2)cc1	585025713	ATXXAXHSCPYJPK-KRWDZBQOSA-N	317.144	1.886	50	20	DDGD	
CCN(C(=O)c1cc(B(O)O)ccc1F)[C@H]1CCCC[C@@H]1C	584940082	OYAJAOWNZOSZKL-NHYWBVRUSA-N	307.174	1.546	50	20	DDGD	
C[C@]1(C(=O)Nc2nc(CC(N)=O)cs2)C[C@H]1Br	906362532	IIPVLGDTHBNPAK-LDWIPMOCSA-N	318.196	1.283	50	20	DDGD	
CN(C1CCN(CCC(F)(F)F)CC1)S(=O)(=O)CCl	832761891	VJOOXUFNSPAHTN-UHFFFAOYSA-N	322.780	1.861	50	20	DDGD	
C[C@@H]1CC[C@H](CNC(=O)NNC(=O)c2cccc(Cl)c2)O1	838738818	GQMVVKCNLOJSJV-BXKDBHETSA-N	311.769	1.852	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COc2ccccc2O)c1O	730836588	TXWJCYJJWJZXRO-UHFFFAOYSA-N	316.313	1.246	50	20	DDGD	
CON(C)C(=O)CCC(C)=NNC(=O)c1ccc2c(c1)OCO2	834919583	JDSNONNHSGSQAQ-UHFFFAOYSA-N	321.333	1.321	50	20	DDGD	
CC(C)C(CNC(=O)NNC(=O)N=c1cc[nH]cc1)C(C)C	836419819	WFILDSWFHVMBIA-UHFFFAOYSA-N	307.398	1.767	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H](C)Cc1cnn(C)c1	837598432	QOQXYESOFGOLTB-GFCCVEGCSA-N	315.377	1.760	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2C[C@@]23CCOC3)ccc1F	837036188	LBALYHUENXLHTQ-XHDPSFHLSA-N	308.309	1.482	50	20	DDGD	
C[C@@H]1O[C@H](C)CC1=NNC(=O)Cc1nc2ccccc2n1C	834926164	ILJLZOPPFMSDEA-MNOVXSKESA-N	300.362	1.785	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@H]2CCSC2)c(F)c1	838497806	VAJUPLVKNJWUSQ-VIFPVBQESA-N	313.354	1.744	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C(=O)N1CCCC1)[C@H]1CCC[C@@H](C)C1	838732981	RAYJWZSBFDIDRU-AGIUHOORSA-N	324.425	1.154	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCc3ccc(F)c(F)c32)c(F)c1	585045077	ASXPMKPILIMNNC-CQSZACIVSA-N	321.107	1.561	50	20	DDGD	
COc1ccc(OC)c(CNC(=O)NNc2cccnn2)c1	736372194	DJILAQHHULIMKJ-UHFFFAOYSA-N	303.322	1.320	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCCCCCCN	831256915	LAGIBTQLLYQVJM-UHFFFAOYSA-N	322.409	1.087	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NN=c1sc2ccccc2n1C	731868280	VQSHPDWSEXLXMU-LBPRGKRZSA-N	304.419	1.656	50	20	DDGD	
C[C@H](N(C)CC(=O)NNC(=O)c1ccc(C#N)cc1)C(C)(C)C	839461722	CRSQSYYJONZEBF-LBPRGKRZSA-N	316.405	1.686	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NCCN(C)C2CC2)cc1	836347830	JORVSCUGUCXRTL-UHFFFAOYSA-N	321.381	1.125	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CCCn2cccn2)ccc1F	837038318	QDJPTBDTYYSZQD-UHFFFAOYSA-N	320.324	1.732	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccc(C#N)cc1)C1CCCCC1	839465681	ZYEVDEUFPPXDJM-UHFFFAOYSA-N	314.389	1.584	50	20	DDGD	
CCC[C@@H](C(=O)NNc1ccc2ccccc2n1)S(N)(=O)=O	831750439	ZJKFINNBLCAXJU-LBPRGKRZSA-N	322.390	1.135	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)c1cccc(N(C)C)c1	834924333	OBHWPHYZCUVBOC-UHFFFAOYSA-N	300.366	1.436	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2c(C)n[nH]c2C)n1	915936714	BLELITSHXMGUIT-UHFFFAOYSA-N	318.406	1.676	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)CCCCO1	837602763	CGKPXLAQVCFUTC-OAHLLOKOSA-N	321.333	1.527	50	20	DDGD	
CC(C)(C)C(=O)NN=C1C(=O)Nc2cc3c(cc21)OCCCO3	915966772	RGPGPQAQZVIKRF-UHFFFAOYSA-N	317.345	1.666	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1	910154878	IDMJEBPDSRSKRP-NSHDSACASA-N	308.378	1.599	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1ccc2c(c1)OCCO2	842553268	GYMBIKWXVHAPNG-YPMHNXCESA-N	304.346	1.723	50	20	DDGD	
NC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccccc1F	841953339	OCMJIWMALJUXLF-ZWNOBZJWSA-N	308.357	1.287	50	20	DDGD	
CC(=O)Nc1cccc(C(C)=NNC(=O)N2CCOCC2)c1	745602319	IDAVISPXSSHWEO-UHFFFAOYSA-N	304.350	1.411	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)NC2)cc1	915696119	JSJAIBIPXUNYJZ-LBPRGKRZSA-N	317.389	1.271	50	20	DDGD	
C[C@@H]1CCCc2ncc(C(=O)NNC(=O)c3ccccc3O)n21	846627860	IQBWPKKEZJRBRP-SNVBAGLBSA-N	314.345	1.561	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1cc(F)ccc1F	748253104	JWUZVEAYHVAIRB-JTQLQIEISA-N	300.305	1.857	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C(=O)c1ccc(Cl)s1	843657789	QELGACIDDYJDRK-BQBZGAKWSA-N	316.766	1.157	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2ncccn2)CCc2ccccc2C1	841349905	BGUGZMUZYANOJS-QGZVFWFLSA-N	310.357	1.433	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1ccc2c(c1)OCCO2	918000233	DIZGYFIMVDGYGF-UHFFFAOYSA-N	319.239	1.563	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCCc2cc(C#N)ccc21	748258630	BGBATEVNEDFRSX-GFCCVEGCSA-N	315.373	1.766	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc(-c2ccccc2)[nH]1	843970940	NJWPVQZXOTWIJN-CMPLNLGQSA-N	314.345	1.263	50	20	DDGD	
COCC1(CC(=O)NNC(=O)c2cc(OC)cc(OC)c2)CC1	843517186	IQERAYQZPMBJFM-UHFFFAOYSA-N	322.361	1.282	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CC[C@H](C)CC1	845422544	CFIMBLPDMGEBAW-JHJVBQTASA-N	312.410	1.938	50	20	DDGD	
CCNc1nc(C(=O)NNC(=O)c2ccccc2F)cs1	748011440	HPHSNBQNACCKJH-UHFFFAOYSA-N	308.338	1.789	50	20	DDGD	
N#Cc1ccc(SCC(=O)NNC(=O)c2ccccc2)nc1	913615365	QMINSFWAVFHSOA-UHFFFAOYSA-N	312.354	1.507	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccc(-c2n[nH]c(C3CC3)n2)cc1	748524705	VLUHULWKDJFFEG-UHFFFAOYSA-N	311.345	1.520	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCn2cc(C)cn2)cc1	918279387	UCKMUMWHSMGPME-UHFFFAOYSA-N	316.361	1.116	50	20	DDGD	
COc1ccc(C(C)(C)C)cc1S(=O)(=O)NNC(C)=O	842574293	VZOKFPFEIGYBEH-UHFFFAOYSA-N	300.380	1.322	50	20	DDGD	
C[C@@H](CNC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)OC(C)(C)C	848309230	NKMONKOUXKPPSV-RYPVXOHGSA-N	318.377	1.421	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H]2CCO[C@H]2C)ccc1-n1cncn1	842552100	HHNOMLRMMOKRFC-GXTWGEPZSA-N	313.361	1.451	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H]1SCCc2ccccc21	742582714	BLPAUSNNIAOWSE-CYBMUJFWSA-N	323.418	1.384	50	20	DDGD	
COc1nc2sccn2c1C=NNC(=O)CC(F)(F)F	917551894	ZPGRSAAXUYFBOV-UHFFFAOYSA-N	306.269	1.807	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)COC1(C)CCC1	746292308	BJJLBCINZDDGKG-UHFFFAOYSA-N	321.377	1.214	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cc(C#N)cs1	748075196	BODDMQCPEPKSIL-NSHDSACASA-N	306.391	1.038	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C(C)[C@@H]1CCOC1	741756131	ATCIYSBXDAVVKD-CYBMUJFWSA-N	306.362	1.993	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@H](c1ccccc1)N1CCCCC1=O	910163518	DULNNGNKBDSWFK-CZUORRHYSA-N	319.405	1.084	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2ccc(O)cc2O)cc1	916296763	JOINYFBZKYRRCV-UHFFFAOYSA-N	316.313	1.636	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnc(F)c(Br)c1	847687123	MQOKPHGNQXCQAS-UHFFFAOYSA-N	319.134	1.289	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@H]1CCc2ncncc2C1	843832770	WKTQBUSEBSOSHA-JTQLQIEISA-N	313.317	1.633	50	20	DDGD	
C[C@@H]1CCCc2ncc(C(=O)NNC(=O)NCc3ccco3)n21	845297030	MRXTURLDOXPYNY-SNVBAGLBSA-N	317.349	1.518	50	20	DDGD	
NC(=O)c1ccc(CNC(=O)NNc2ccc(Cl)nc2)cc1	745544596	YZRSKOKAEZMOMO-UHFFFAOYSA-N	319.752	1.660	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H]2CCCN[C@@H]2C)cc1	841973884	DOXULCGJHQYSAQ-BXUZGUMPSA-N	304.394	1.334	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCC(C)(C)C#N)cc1	845102715	LKANXNCAZCUYJH-UHFFFAOYSA-N	304.350	1.578	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@H]2CCC(=O)C2)cc1	843890402	WIKCRMMSNZODPK-LBPRGKRZSA-N	304.346	1.144	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)NC[C@H]1CCCNC1=O	922861333	RQVWHDMDKJHBNA-SNVBAGLBSA-N	310.785	1.801	50	20	DDGD	
CCCNC(=O)NN=C(C)c1ccc(N2CCOCC2)cc1	920989347	KZRALFIFNIWRON-UHFFFAOYSA-N	304.394	1.956	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)c1cc(Br)c[nH]1	755063224	LBVPAAIDPPRUKL-SSDOTTSWSA-N	318.171	1.211	50	20	DDGD	
Cn1nc(C(=O)NN=C[C@H]2C[C@H]3C=C[C@H]2C3)c2ccccc2c1=O	755541784	KADWDAMKSOUNLN-RWMBFGLXSA-N	322.368	1.861	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Nc2ccc(OC)nc2)nc1	758518281	WXBMCRHHTGDLKM-UHFFFAOYSA-N	317.305	1.420	50	20	DDGD	
Cc1nc2cccc(C(=O)NNC(=S)N[C@@H](C)C3CC3)c2[nH]1	855097797	YAJBEMHECXEPGI-QMMMGPOBSA-N	317.418	1.779	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)O)CCC1=NNC(=O)c1cccc(C(=O)O)c1	853426489	NBPTYONDRSEOCD-SKDRFNHKSA-N	318.329	1.991	50	20	DDGD	
COC1CCC(NC(=O)NNC(=O)c2cc(C)cs2)CC1	858532248	GMQYRPPOGAUBGU-UHFFFAOYSA-N	311.407	1.958	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)NC[C@H](C)S(C)(=O)=O	921632424	CGKJZSNSPBQOMI-VIFPVBQESA-N	319.814	1.708	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC2CCOCC2)c1C	853457746	LFXIFHIYIBEDBF-UHFFFAOYSA-N	307.350	1.587	50	20	DDGD	
O=C(NN=C1CCC2(CCOCC2)CC1)C(=O)N1CCCC1	751525387	FJIPZBQVGAEFTF-UHFFFAOYSA-N	307.394	1.452	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)c1ccc(Cl)cc1F	755377291	MUGUDKVWDXONPP-MRVPVSSYSA-N	302.733	1.913	50	20	DDGD	
CCOCCC1(CNC(=O)NNc2ncc(Cl)cn2)CC1	856881376	QOTJYGDEDNXVDO-UHFFFAOYSA-N	313.789	1.963	50	20	DDGD	
COCc1nn(C)cc1C(=O)NNc1cc(F)cc(OC)c1	857474178	VGQAKPSVWZEAKJ-UHFFFAOYSA-N	308.313	1.471	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1ccc(C(F)F)nc1	853278721	HUHBBZPNBJJQCC-UHFFFAOYSA-N	310.304	1.482	50	20	DDGD	
CCN(CCC#N)C(=O)CN(C)NC(=O)OCc1ccccc1	859387619	FFOSSUUFGJKPQQ-UHFFFAOYSA-N	318.377	1.522	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CCc3cncn3C2)C[C@H]1Br	857387209	FWRRLKLLMNJTNQ-IRUJWGPZSA-N	312.211	1.735	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cnn(-c2ccc(C)cc2)c1C	921039129	BZIZDCFFVOGXJS-UHFFFAOYSA-N	315.377	1.843	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@H]1CCCCS1(=O)=O	855369511	OUMVKXXUDMYVRX-GFCCVEGCSA-N	300.355	1.545	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NC[C@H]1CC(=O)N(C2CC2)C1	853972396	XGODWLKBKXMLFS-LLVKDONJSA-N	320.368	1.771	50	20	DDGD	
COC(=O)N1CC(NC(=O)NNc2ccc(Cl)cc2C)C1	921547802	FHRJGTGRJGJVHI-UHFFFAOYSA-N	312.757	1.725	50	20	DDGD	
CC(C)Cc1ccc(C(=O)NNC(=O)C(=O)NC(C)C)s1	929451306	ZZVBPCICFBWJRW-UHFFFAOYSA-N	311.407	1.232	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1cc(O)nc(C2CC2)n1	857090790	AKTAEOCHEVUEER-UHFFFAOYSA-N	304.350	1.401	50	20	DDGD	
O=C(CNc1ccccc1F)NN=Cc1ccnn1CC1CC1	853264184	UANVTZCCQQHWKU-UHFFFAOYSA-N	315.352	1.994	50	20	DDGD	
CC(C)(C)n1nnc(C=NNC(=O)c2cc(Cl)ccc2O)n1	853283592	WMELROHKBBKSQA-UHFFFAOYSA-N	322.756	1.551	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNC(=O)COc1ccc(C#N)cc1	858129913	RYTGGRPRIKVMJX-AWEZNQCLSA-N	319.361	1.290	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]21	857089828	DZQXYVWPQFZZED-MCIONIFRSA-N	321.421	1.409	50	20	DDGD	
NC(=O)C1(NC[C@@H](CBr)C2CC2)CCOCC1	859352727	VBSFOENANBANDR-SNVBAGLBSA-N	305.216	1.032	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@H]1CCc2c[nH]nc2C1	758910360	CTRUINDNNVEFCN-JTQLQIEISA-N	317.324	1.050	50	20	DDGD	
Cn1cc(CCNC(=O)NNC(=O)C2CCC2)c2ccccc21	852578630	QUTFIQOKPQFMTO-UHFFFAOYSA-N	314.389	1.851	50	20	DDGD	
O=C(NCc1c(F)c(F)cc(F)c1F)NNC(=O)C1CCC1	753039658	DYBYHCZIZKTLCF-UHFFFAOYSA-N	319.258	1.874	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@]1(c2ccccc2)CCCO1	932229464	HMUQGEIILYPODT-INIZCTEOSA-N	314.345	1.185	50	20	DDGD	
CC(=O)Nc1cccc(NC(=O)NNC(=O)CC2CC2)c1C	755625133	LZYFYNNKBXHKJU-UHFFFAOYSA-N	304.350	1.906	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855832139	VHDYCNYCZCNNTB-JTQLQIEISA-N	317.455	1.218	50	20	DDGD	
CN(C)[C@@H](C(=O)NNc1ccc(Cl)cn1)c1cncn1C	856091944	ZAYGFHQIYSFPTI-GFCCVEGCSA-N	308.773	1.215	50	20	DDGD	
CCC(=O)c1cc(C(=O)NNc2nccn(C)c2=O)ccc1F	757901909	WHMGSABMEKTPNX-UHFFFAOYSA-N	318.308	1.269	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccc(Cl)nc2)sn1	756856066	JKEXBTAQCFHDIZ-UHFFFAOYSA-N	311.754	1.966	50	20	DDGD	
CCO[C@H]1COCC[C@H]1NC(=O)NNC(=O)c1ccccc1C	759212355	XNQUCVHAYJOFPD-KGLIPLIRSA-N	321.377	1.133	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1cnn(-c2ccccc2)c1	756708869	SBUQQXDIOCFNTO-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H](C)n1ccc(C(F)(F)F)n1	865023515	FKOLLYRQDZDLQR-ZETCQYMHSA-N	307.276	1.203	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H](C)c2c(C)nn(C)c2C)c1	862477536	LIOCZSCAHMLUJG-SECBINFHSA-N	320.418	1.972	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cccc(OC2CCCC2)c1	763440553	INYNUOLCNBZPCP-UHFFFAOYSA-N	319.361	1.504	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccc(F)n2)c(OC)c1	764176645	VVQJJXPAFUBLOS-UHFFFAOYSA-N	319.292	1.313	50	20	DDGD	
Cn1cc(-n2cc(C(=O)NNc3ccccc3)ccc2=O)cn1	760914789	FKSVHHAGLLAKTR-UHFFFAOYSA-N	309.329	1.328	50	20	DDGD	
Cc1n[nH]cc1CNC(=O)NNC(=O)c1cccc2ncccc12	768247380	QAOZPONVSJZGFF-UHFFFAOYSA-N	324.344	1.411	50	20	DDGD	
CNc1c(C(=O)NNc2nccnc2Cl)cccc1[N+](=O)[O-]	765852197	KBNZAGYETDDRFS-UHFFFAOYSA-N	322.712	1.837	50	20	DDGD	
CCCc1[nH]nc(C(=O)NNc2cccc(C)n2)c1[N+](=O)[O-]	862523218	VICMTVWYFWFNAS-UHFFFAOYSA-N	304.310	1.731	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)CN(C)C2CCC2)c1	863910880	JJRJOFBLUWCHNH-UHFFFAOYSA-N	319.409	1.708	50	20	DDGD	
COCCOCC(=O)NNC(=O)Cc1ccc(CC(C)C)cc1	869911375	BYDQMUKQJVGTST-UHFFFAOYSA-N	322.405	1.238	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccn(C2CCCC2)n1	764319502	YVGSCCDJNVTPSH-UHFFFAOYSA-N	304.272	1.712	50	20	DDGD	
CCO[C@H](CC(=O)NNC(=O)c1ccc(Cl)nc1)C(C)C	760376903	DFILKQIYROTEKE-LLVKDONJSA-N	313.785	1.947	50	20	DDGD	
CN(CC(=O)NNc1ccnc(Br)c1)C1CCC1	863906289	WDXJQCRAGRTDOB-UHFFFAOYSA-N	313.199	1.772	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=C2CCN(C3CCCCC3)CC2)N1	863145645	PSJKPRFJJGLYDY-AWEZNQCLSA-N	306.410	1.166	50	20	DDGD	
CO[C@]1(CNC(=O)NNc2c(F)cccc2F)CCOC1	764802471	CREMCMPEQSPHQW-ZDUSSCGKSA-N	301.293	1.396	50	20	DDGD	
CCC[C@H](C(=O)NNC(=O)Cc1cc(C)[nH]n1)c1ccccn1	869015155	FTLNJIJPDMWTBL-ZDUSSCGKSA-N	315.377	1.387	50	20	DDGD	
O=C(COC/C=C\c1ccccc1)NNC(=O)c1ccccn1	763108427	OEGOMHRYWWAMNZ-TWGQIWQCSA-N	311.341	1.573	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)COCc2ncc(C)o2)c1	862479261	IZUYMKQEQQATDT-UHFFFAOYSA-N	309.347	1.331	50	20	DDGD	
C=C[C@@](C)(O)C(=O)NNC(=S)Nc1c(C)cccc1CC	873852967	HEJSFRLAABWVHO-OAHLLOKOSA-N	307.419	1.812	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)C1=CCOCC1	873768727	CRUBLHSCGJIRAT-UHFFFAOYSA-N	307.375	1.360	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc2ccccc2n1CC#N	764469650	LAEPYZFFJCZRJL-UHFFFAOYSA-N	322.328	1.720	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)C2CCOCC2)cc1	877900857	FFMHMRMTUQLBGE-UHFFFAOYSA-N	307.350	1.665	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@H](C)c2cnn(C)c2)n1	762906843	AJFSDTHEJQVLBL-LLVKDONJSA-N	317.397	1.303	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H]2CC[C@H]2C(N)=O)c1	873756449	KVMVRPPHTAKNPW-GHMZBOCLSA-N	320.418	1.133	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccccc1N1CCCC1=O	878091740	ISPNYGJTSITJRG-UHFFFAOYSA-N	306.322	1.548	50	20	DDGD	
C[C@H](Oc1cccc(C=NNC(=O)C2CCOCC2)c1)C(=O)O	1119361130	GYPKZJYRDUGSPZ-NSHDSACASA-N	320.345	1.415	50	20	DDGD	
C[C@@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)c1ccsc1	770983111	LHSAZNZKMWCJBH-SSDOTTSWSA-N	318.362	1.377	50	20	DDGD	
CCC(=NNC(=O)NCC(=O)OC)c1ccc2c(c1)CCCO2	779824026	YLVZWVPMRWOWLN-UHFFFAOYSA-N	319.361	1.598	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(F)cc(F)c1	771933387	GQGHIXFGOKXQJS-SSDOTTSWSA-N	300.261	1.068	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)C(C)(C)C(N)=O	873854380	YMQXESDVFXWCNM-UHFFFAOYSA-N	322.434	1.387	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2ccccc2F)ccc1O	779512963	GENLOPSPTBPEKJ-UHFFFAOYSA-N	302.305	1.843	50	20	DDGD	
C[C@@]1(C(=O)NNc2nncc(N)c2Cl)C[C@@H]1Br	1119626827	HUVHNUPQBVFHQY-SSDLBLMSSA-N	320.578	1.329	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C(C)(C)SC)cn1	874954943	FRDVVIIRROPJOY-UHFFFAOYSA-N	314.436	1.549	50	20	DDGD	
Cc1cc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)ccc1F	772089123	PSQDVHIEPPYQAF-LLVKDONJSA-N	324.352	1.873	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1csc([C@H](C)OC)n1	875357057	IMSHBBZXQJLFSX-ZETCQYMHSA-N	302.356	1.263	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)CC1(O)CCC1	873770535	PEFHPIGDXWEETR-UHFFFAOYSA-N	309.391	1.318	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C2CCC1(CN)CC2	877189495	OYUZNWIPSYKINH-UHFFFAOYSA-N	310.829	1.835	50	20	DDGD	
CC(=O)N(CC(=O)NNC(=O)CC(C)(C)C)c1ccccc1	878716560	JBYXXSORAQECCH-UHFFFAOYSA-N	305.378	1.623	50	20	DDGD	
CCNC(=O)c1cccc(CNS(=O)(=O)CCCCl)c1	881790048	JDIMLVNZXQIARM-UHFFFAOYSA-N	318.826	1.485	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1c(C)nn(CCCl)c1C	887144266	HMVLXNLKMXTPQI-UHFFFAOYSA-N	310.785	1.303	50	20	DDGD	
CCN(C(C)=O)c1nc(/C=C(\C#N)S(=O)(=O)CC)cs1	786042783	JLUGDSONUKOKQV-IZZDOVSWSA-N	313.404	1.815	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)N[C@@H]1CC[C@@H](C)C1	780788821	GBESMQXIQJLJNB-VXGBXAGGSA-N	321.377	1.593	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1scnc1Br	887146712	IJIQVXVCBRPGGF-UHFFFAOYSA-N	316.180	1.470	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(Cl)ncc1Cl	887146797	LHEKVAWSZAOWJE-UHFFFAOYSA-N	300.145	1.953	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@H](C)O	789940428	YITQXSMWCHCRNO-FYBHJDENSA-N	308.422	1.757	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1COCc2ccccc21	782233381	XKGDIDVEYMXATN-UHFFFAOYSA-N	303.362	1.342	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnc(O)c2ccccc12	786826724	IPLGAOHIUZNKQC-UHFFFAOYSA-N	302.334	1.685	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2ncnc3ccsc23)on1	781431390	PPUVUVXYVTXUFA-UHFFFAOYSA-N	319.302	1.223	50	20	DDGD	
Cn1cc(NC(=O)NNC(=O)CC2CC2)c(C(F)(F)F)n1	782815960	JSEDRHHZCMYYGQ-UHFFFAOYSA-N	305.260	1.392	50	20	DDGD	
C=CC[C@@H](NS(=O)(=O)CBr)c1ccncc1	782444428	KJTTUJGUFCNYSA-SNVBAGLBSA-N	305.197	1.971	50	20	DDGD	
CCC(=O)N1CCC[C@@H](C(=O)NNc2ccc(C#N)cn2)C1	899663312	CNTHQGSRRXTUHC-GFCCVEGCSA-N	301.350	1.045	50	20	DDGD	
O=C(NC[C@@H]1CCC2(CCCCC2)O1)NNC(=O)C1CCC1	790628788	HFPDPCIBTRNAFY-ZDUSSCGKSA-N	309.410	1.999	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc(C)n(C(C)(C)C)n2)n1	794090482	UMXBPAPZJCFRBG-UHFFFAOYSA-N	315.377	1.725	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)Cn1cc([C@H](C)O)nn1	799755723	IVMXGGGZTKTZHN-NSHDSACASA-N	303.366	1.346	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)/C=C/COC)cc1	791296822	MIBNLBTZPWGVLV-BTDICHCPSA-N	322.361	1.203	50	20	DDGD	
COC(=O)[C@H]1CC[C@H](C(=O)NNC(=O)CC(F)(F)F)CC1	798108462	XGIRFXCMTIJNJY-ZKCHVHJHSA-N	310.272	1.066	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H](C)[C@H]2CCCOC2)n1	793043779	URMUOFLGYYOTKM-NEPJUHHUSA-N	306.366	1.149	50	20	DDGD	
Cc1cccnc1NNC(=O)c1ccc(NS(C)(=O)=O)cc1	791214398	ADRBOEZNCOSANL-UHFFFAOYSA-N	320.374	1.518	50	20	DDGD	
N#C/C(=C\c1cc(Cl)c2c(c1)OCCO2)S(N)(=O)=O	798232580	XRXISMGFZVZXSD-FPYGCLRLSA-N	300.723	1.264	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)Nc1ccc(F)cc1F	794753127	BSKDARUCUQGMGN-UHFFFAOYSA-N	307.260	1.640	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CC[C@H](CC(=O)OC)[C@H]1C	794519872	PCVYAIRNTNGEIF-IJLUTSLNSA-N	314.382	1.119	50	20	DDGD	
C[C@H](Oc1ccc(C=O)cc1)C(=O)NNC(=O)c1ccc[nH]1	794816468	KOLYYKSGNCTGCE-JTQLQIEISA-N	301.302	1.056	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cnc(-c2ncccn2)s1	1318090464	KWNQCHMQSZWICI-UHFFFAOYSA-N	322.419	1.117	50	20	DDGD	
C[C@@H](Oc1ccccn1)C(=O)NNc1nncc(N)c1Cl	1329037098	MHXQRKLVOKSCHB-SSDOTTSWSA-N	308.729	1.018	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C	1326005948	BSZMIQPBVGTMDF-UHFFFAOYSA-N	322.365	1.476	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)C(=O)Nc2cccnc2)nn1	1326103699	YXAXPTCHCKSFNZ-UHFFFAOYSA-N	314.349	1.251	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)c1cncn1-c1ccccc1	1321582788	GESJXKDIHMWXOZ-MRXNPFEDSA-N	316.361	1.448	50	20	DDGD	
CC(C)c1nocc1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1329180305	YXZRJGJDUNZJDA-UHFFFAOYSA-N	317.349	1.475	50	20	DDGD	
COc1ccccc1C1(NCC(=O)NNC(=O)C(C)C)CCC1	1326503894	XGYGRHHEWSCNSD-UHFFFAOYSA-N	319.405	1.467	50	20	DDGD	
C[C@H]1CCCC[C@H]1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1326598670	ICOTXFWFZMCCLW-WDEREUQCSA-N	304.394	1.876	50	20	DDGD	
Cc1cnccc1CNC(=O)NNc1nncc(N)c1Cl	1320483759	WRANOJWDVCAYST-UHFFFAOYSA-N	307.745	1.242	50	20	DDGD	
Cn1c(=O)oc2cc(C=NNC(=O)C3CCOCC3)ccc21	1330904332	ZAJFXEGSURONQH-UHFFFAOYSA-N	303.318	1.008	50	20	DDGD	
Cc1ncc([C@H](C)NC(=O)NNC(=O)C2CCOCC2)s1	1331937424	FMSCMTBMJOOBRO-QMMMGPOBSA-N	312.395	1.270	50	20	DDGD	
O=C(CCl)NCc1ccccc1OCCN1CCOCC1	1336910121	OAIAWVLZONLYRY-UHFFFAOYSA-N	312.797	1.253	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC1CC2(CC(N)C2)C1	1343531132	FQMSKMRPEZNTSM-UHFFFAOYSA-N	310.829	1.738	50	20	DDGD	
O=C(NN=C1CCN(C2CCCCC2)CC1)c1cccnn1	1349829066	LRSZVSPKELZVRT-UHFFFAOYSA-N	301.394	1.991	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1cnc(C2CC2)[nH]1	1341913781	GCKILBIJIHVRRF-UHFFFAOYSA-N	310.321	1.020	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2c(F)ccnc2F)c(F)c1	1602383683	XFKMOAAQPVGNEX-UHFFFAOYSA-N	311.219	1.954	50	20	DDGD	
O=C(NNC(=O)[C@]1(C(=O)O)C[C@H]1c1ccccc1)c1ccccc1	1608476866	AMTVCBGYQCXAFF-KSSFIOAISA-N	324.336	1.706	50	20	DDGD	
O=C(Oc1ccc([N+](=O)[O-])c(C(=O)O)c1)c1cc2n(n1)CCO2	1609026462	IGMNBRGQAUEDPJ-UHFFFAOYSA-N	319.229	1.101	50	20	DDGD	
C[C@]1(CNC(=O)NNc2ccc(F)c(C(=O)O)c2)CCCNC1	1604577179	FQFANAMNQOEQES-HNNXBMFYSA-N	324.356	1.540	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccoc2CC(=O)O)cc1	1605806049	GWDDGIFVHKXSLL-UHFFFAOYSA-N	316.313	1.544	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)SCC(C)(C)C(=O)O	1603762300	ZNMXOYZNRGOOBC-SECBINFHSA-N	304.412	1.412	50	20	DDGD	
N#C[C@]1(C(=O)NNc2cccc(F)c2C(=O)O)CCCOC1	1601051026	YZABVOWFNGTUIJ-CQSZACIVSA-N	307.281	1.287	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)NOC/C=C\Cl	1601560031	MBTLJFBZVDQTJZ-DJWKRKHSSA-N	303.677	1.834	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ncoc1C1CC1	1606861643	SDUFJFIFLFDVPQ-UHFFFAOYSA-N	311.305	1.489	50	20	DDGD	
NC(=O)Nc1ccc(C(=O)NNc2cccc(C(=O)O)c2)cc1	1601156069	MNYKQDHKUYLKHM-UHFFFAOYSA-N	314.301	1.632	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)Cn2cccc(C(=O)O)c2=O)c1	1600429458	RNHBTQUFHUYJLM-UHFFFAOYSA-N	319.292	1.137	50	20	DDGD	
Cc1c(C(=O)O)cc(C=NNC(=O)CCc2ccco2)n1C	1607511764	XMTPQBGAGMNZOA-UHFFFAOYSA-N	303.318	1.708	50	20	DDGD	
CO[C@H](C)C(C)=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccnn1C	1549321700	VKEJAZBBYGSXIW-BZPMIXESSA-N	308.382	1.415	50	20	DDGD	
COc1ccc(NC(=O)NNc2cccc(C(=O)O)c2)cn1	1610340627	APNDADFEJXTHQH-UHFFFAOYSA-N	302.290	1.937	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1F	1549318245	ATKKRDOUCUKZKY-LRDDRELGSA-N	319.380	1.919	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)c(C)c1	1550696206	ITWAVRRECUZVIQ-GDBMZVCRSA-N	317.389	1.317	50	20	DDGD	
C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](F)Cl)CC1	1831321575	ZFGRMVWQENDXST-JSGCOSHPSA-N	314.788	1.774	50	20	DDGD	
Nc1ccccc1C(=O)NNc1cc(Br)ncn1	1574287353	IEFMXXHEZINDRS-UHFFFAOYSA-N	308.139	1.578	50	20	DDGD	
O=C(NNc1ncncc1Cl)Nc1ccnc(C(=O)O)c1	1574578926	RBUPIMJBDYLFND-UHFFFAOYSA-N	308.685	1.372	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C[C@H]2CC[C@@H](N)C2)cc1	1579727243	JWKXQXXJQJRMFI-QWHCGFSZSA-N	305.378	1.039	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C1(C(=O)O)CCCCCC1	1588927890	KGZRSGASXQTSMF-UHFFFAOYSA-N	301.412	1.315	50	20	DDGD	
CC(C)(C)OCC(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843362186	GVQQDJGYJWYFLK-LLVKDONJSA-N	320.792	1.539	50	20	DDGD	
C=CCCn1cc(C(=O)NNc2cccc(F)c2C(=O)O)nn1	1588817178	CHZSJZDAKYCDKI-UHFFFAOYSA-N	319.296	1.448	50	20	DDGD	
N[C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)CCCCl)C1	1580197822	CKMSLZIRPKWVIG-UPJWGTAASA-N	324.874	1.306	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)CCCC(=O)N(C)C	1599377127	LBZYJRJXKACAMR-UHFFFAOYSA-N	323.349	1.095	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCc2ccc(C(=O)O)cc2)cn1	1594537797	LJRVUYKSHHDUSI-MKMNVTDBSA-N	310.313	1.342	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1590336420	HPNCNZDOSIFQDI-APPZFPTMSA-N	322.756	1.388	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)CN1CC(C)(C)C1	1599377182	NHVOGKYOYFKYKE-UHFFFAOYSA-N	307.350	1.178	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1ncn(-c2ccccc2)n1	1594781932	YRGIFEACXGUKFJ-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cn1)[C@H]1CC[C@H]1C(=O)O	1594780532	VHBPGSYBFRLLSB-JGVFFNPUSA-N	303.240	1.654	50	20	DDGD	
O=C(NN=Cc1nc(-c2nn[nH]n2)cs1)c1ccccc1F	1593154730	GWCGFKQKKNAZJZ-UHFFFAOYSA-N	317.309	1.226	50	20	DDGD	
C[C@@]1(COC(=O)Cn2ccc(C(=O)O)n2)C[C@H]1Br	1594036528	IBGZUHLXDCYPEA-KCJUWKMLSA-N	317.139	1.298	50	20	DDGD	
CN(C)Cc1ccc(C(=O)NN=Cc2cc(C(=O)O)co2)cc1	1776109674	USYKZIKVHCWPMX-UHFFFAOYSA-N	315.329	1.803	50	20	DDGD	
O=C(O)COc1ccc(C=NNC(=O)c2ccon2)cc1Cl	1776105726	CLFSEEPHIYAYPP-UHFFFAOYSA-N	323.692	1.555	50	20	DDGD	
CC(=NNC(=O)c1ccnnc1)c1cccc(OCC(=O)O)c1	1776081239	FSMAJHJSCYURHX-UHFFFAOYSA-N	314.301	1.094	50	20	DDGD	
O=C(O)/C=C/c1ccc(C=NNC(=O)NCc2ccco2)o1	1776038995	BHNABRZCVDARAE-KLGBLWPCSA-N	303.274	1.804	50	20	DDGD	
O=C(NN=Cc1c(C(=O)O)ccc2c1OCO2)c1cccnc1	1776017706	ZIZZWUYLVLKUQI-UHFFFAOYSA-N	313.269	1.272	50	20	DDGD	
C[C@H](Cc1ccccc1F)C(=O)NNC(=O)NCC(F)(F)F	150718276	XEBNRQFFSKWLJZ-MRVPVSSYSA-N	321.274	1.897	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1	160471951	RYZKNHMTWSIIGJ-HUUCEWRRSA-N	319.405	1.765	50	20	DDGD	
CCNC(=O)CCCC(=O)NNc1cnc2ccccc2n1	163504147	LLOVZMZGFBZKJK-UHFFFAOYSA-N	301.350	1.379	50	20	DDGD	
O=C(CCc1nnc[nH]1)NNc1ccccc1Br	153634071	YCTWKZNMFOIDEI-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
COc1ccnc(NNC(=O)NCCc2cccc(C)c2)n1	157032790	AREXLBPLUYJVRE-UHFFFAOYSA-N	301.350	1.662	50	20	DDGD	
CC1(C)CCCC[C@H]1NC(=O)NNC(=O)Cc1ccncc1	157087421	ZVDWBJRHHFANFX-CYBMUJFWSA-N	304.394	1.923	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C(=O)NC(CC)CC)cc1	156147253	GOMYEDFCINLULF-UHFFFAOYSA-N	305.378	1.315	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccc(F)cc2)oc1C	155790473	VZHUFRIIYVQCKC-UHFFFAOYSA-N	306.293	1.876	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)c2cc3ccccc3s2)nn1	154408771	MAHXPSOPYWQQCG-UHFFFAOYSA-N	313.342	1.547	50	20	DDGD	
N#Cc1cccc(C(=O)NN[C@H](C(N)=O)c2ccc(F)cc2)c1	103499370	BRQGNUANEMINSN-AWEZNQCLSA-N	312.304	1.158	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H](C)OC)cc1	54921876	RJJQSNFHMBYXIT-MNOVXSKESA-N	310.350	1.035	50	20	DDGD	
CN(C)CC(=O)NNC(=O)CCc1ccc(Cl)c(Cl)c1	113426603	AHVQMWRJUNHYFP-UHFFFAOYSA-N	318.204	1.635	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)nn1	106335244	OBXAUDHGXGQRDK-SGMGOOAPSA-N	320.441	1.778	50	20	DDGD	
C[C@@H]1CC[C@H](CCC(=O)NNc2nc(-c3ccncc3)no2)O1	175895117	QQZSFPWLBPSNIE-ZYHUDNBSSA-N	317.349	1.922	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)c1ccc[nH]1	61198576	ZXRKHZTVCKRSFV-UHFFFAOYSA-N	303.318	1.253	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	69311227	FZTYRXPBHBHZKO-SNVBAGLBSA-N	307.306	1.337	50	20	DDGD	
CCC(=O)NNC(=O)c1ccc(CSc2nncn2C)cc1	21290981	GPMBUXZHCBWFBF-UHFFFAOYSA-N	319.390	1.278	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1	174956062	KYOVTMJQUHHGEW-UHFFFAOYSA-N	306.322	1.729	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC(n2cccn2)CC1	111238569	NTXQBKLAQNRRFT-CYBMUJFWSA-N	321.425	1.102	50	20	DDGD	
O=C1OC[C@H]2CN(C[C@H](CBr)C3CC3)CCN12	1328757052	VTGMEVWSDNGDNW-WDEREUQCSA-N	303.200	1.544	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@@H]1CSc2ccccc21	118530694	QJWJJLOKESNGQE-MRVPVSSYSA-N	319.308	1.769	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)[C@@H]1CCOc2ccccc21	173934061	XUHVQHVBQWAYLN-SNVBAGLBSA-N	310.317	1.362	50	20	DDGD	
CC(C)NC(=O)CCNC(=O)NNc1cc(F)c(F)cc1F	172130626	TXISUTCKNUHHBN-UHFFFAOYSA-N	318.299	1.645	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	110761564	UZLPRPYHGRBIQM-UHFFFAOYSA-N	316.346	1.245	50	20	DDGD	
CCCCCC[C@@H](C)C(=O)NNC(=O)CNC(=O)c1ccco1	172935337	BNKDCEDFAYJRIA-GFCCVEGCSA-N	323.393	1.763	50	20	DDGD	
C[C@@H](C(=O)NNc1ccccc1)N1C(=O)NC2(CCCC2)C1=O	111552416	UFQVLGOBRSAVEG-NSHDSACASA-N	316.361	1.383	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](C)CSc1ccccc1	110758083	OOOCUKWFTDKUHC-JTQLQIEISA-N	318.402	1.908	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNc1cccnn1)c1cccs1	172432656	MZLGNLDYYKGTOP-SNVBAGLBSA-N	306.395	1.467	50	20	DDGD	
Cc1nnc(-c2ccc(C(=O)NNc3ncc(F)cn3)cc2)[nH]1	123411147	HOTLCPDLXJLIQQ-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1cccc(F)n1	124339653	MFJVTHXJULXKIS-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCCn1cnc2ccccc21	127606556	QADLVRBDWHFSJS-UHFFFAOYSA-N	317.393	1.803	50	20	DDGD	
CCOC(C)(C)CNC(=O)NNC(=O)c1ccc(C#N)cc1	187676979	QAXAWWQHCCVOEN-UHFFFAOYSA-N	304.350	1.317	50	20	DDGD	
C[C@H](NC(=O)NNc1nc2ccccn2n1)C(C)(C)CN(C)C	189511791	UALKSUXZKGTFEH-NSHDSACASA-N	319.413	1.332	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@@H](c1ccccc1)C(C)C	79330671	BJGMUTIZRRUOJI-CYBMUJFWSA-N	305.378	1.098	50	20	DDGD	
C=C1c2ccccc2C(=O)N1CC(=O)NNc1ncc(F)cn1	122512380	BPHDECICJZYHPF-UHFFFAOYSA-N	313.292	1.186	50	20	DDGD	
Cc1cccc(NNC(=O)c2cnc3nc(O)[nH]c(=O)c3c2)c1	76480857	NQDIDLGEZTYEEI-UHFFFAOYSA-N	311.301	1.089	50	20	DDGD	
COCCOCC(=O)NNC(=O)Cc1cccc2ccccc12	78409193	ZSMQBNOSDJKUMB-UHFFFAOYSA-N	316.357	1.193	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)o1	39484733	FCHLCOLVYKQMGG-JTQLQIEISA-N	306.293	1.956	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2cc(F)ccc2C)n1	182776344	UDTALSUSOZJBAC-UHFFFAOYSA-N	319.340	1.800	50	20	DDGD	
C[C@H](CC1CCCC1)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	74414718	JTPMDVMHKQDKCR-TZMCWYRMSA-N	316.467	1.695	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)CC[C@@H](C)OC	180773977	KTPXYIFEOGGHRL-GFCCVEGCSA-N	308.378	1.590	50	20	DDGD	
Cc1cccc(NNC(=O)c2coc(S(=O)(=O)N(C)C)c2)c1	129792647	WZWKJAXFLUDTRD-UHFFFAOYSA-N	323.374	1.595	50	20	DDGD	
CCOc1ccccc1NC(=O)NNC(=O)Cc1ccncc1	182828560	IDUMHIZQCQSVMG-UHFFFAOYSA-N	314.345	1.876	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)CCc2ccccc2O)c(C)n1	181888318	BSSCRXTUUQUYKL-UHFFFAOYSA-N	314.345	1.193	50	20	DDGD	
O=C(NNc1ccc(F)cc1)[C@H]1COCCN1C1CCCC1	188544166	QNVXRKRPKDMPIE-OAHLLOKOSA-N	307.369	1.912	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1ccccc1O)c1ccncc1	74443000	FASJCPJLZCWKHN-ZDUSSCGKSA-N	314.345	1.883	50	20	DDGD	
Cc1ccc(CCC(=O)NNC(=O)C(=O)N2CCCC2)c(C)c1	132245976	AQYSLHUOWFDORO-UHFFFAOYSA-N	317.389	1.006	50	20	DDGD	
Cc1ccnc(NC(=O)NNC(=O)c2c(C)nc3ccccn23)c1	184258403	QYKPVHFEZZKDTG-UHFFFAOYSA-N	324.344	1.813	50	20	DDGD	
CCOC1CC(CC(=O)NNC(=O)c2ccc(C)cc2O)C1	189808128	FTYNZIZIBUMHNA-UHFFFAOYSA-N	306.362	1.667	50	20	DDGD	
O=S(=O)(CCCCCl)NCCCOC[C@@H]1CCCO1	228333265	XTBZPYUIPUIDRE-LBPRGKRZSA-N	313.847	1.511	50	20	DDGD	
Cc1ccc2cccc(C(=O)NNC(=O)c3c[nH]nc3C)c2n1	133134588	JHKNJTMOQCLHFV-UHFFFAOYSA-N	309.329	1.650	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@H]2CCCc3c(O)cccc32)cn1	190451009	FDUDVYKXJOHDEW-ZDUSSCGKSA-N	314.345	1.007	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1	48990098	HPFJTYXDFDHPCI-UHFFFAOYSA-N	316.232	1.394	50	20	DDGD	
CC(=O)Nc1ccc(CNC(=O)NNc2ncccn2)cc1	45436630	DQDNMLGUDNFHKE-UHFFFAOYSA-N	300.322	1.261	50	20	DDGD	
CS(=O)(=O)N1CCCC[C@@H]1C(=O)NNc1ccc(F)cc1	44248752	NOQJIKIEMBLQPR-GFCCVEGCSA-N	315.370	1.083	50	20	DDGD	
Cc1c(Cl)cccc1S(=O)(=O)NNC(=O)[C@@H]1CCCO1	48654050	BQNUIDTZOIOTAR-JTQLQIEISA-N	318.782	1.137	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Cc2ccc(F)cc2F)n1	86994833	SHKNTPSLXRECGF-UHFFFAOYSA-N	322.315	1.168	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Nc2nnc(C)s2)cc1	194264700	WRTQBCHNGAHOQU-UHFFFAOYSA-N	305.363	1.875	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1	87101231	TZDLYBFQOYYYCO-UHFFFAOYSA-N	320.349	1.740	50	20	DDGD	
CNC(=O)NNC(=O)CCCc1ccc(Br)s1	97714297	LWKLLMRGIRAGDL-UHFFFAOYSA-N	320.212	1.794	50	20	DDGD	
CN1CCO[C@@H](C(=O)NNc2cc(Cl)ccc2Cl)C1	267982552	PIKCUFCDTUWOON-LLVKDONJSA-N	304.177	1.767	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H]2CCc3cn[nH]c3C2)n1	267221650	ULLYASROHINFEO-QMMMGPOBSA-N	306.757	1.410	50	20	DDGD	
CC1CCN(CC(=O)NNC(=O)COc2ccccc2F)CC1	268583437	YRIWFBMCWRNIAA-UHFFFAOYSA-N	323.368	1.084	50	20	DDGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CC[C@H](n2cncn2)C1	364451575	ANLUWHKLWAJUEY-URIHLITRSA-N	310.317	1.998	50	20	DDGD	
Cn1cc2c(n1)CCC[C@H]2C(=O)NNc1cnc2ccccc2n1	366958982	LYTFTORHRQTMSU-LLVKDONJSA-N	322.372	1.927	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(SC)c1C	274059003	KWFOEBONTLRRCN-SECBINFHSA-N	323.418	1.849	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNc1cccc(C(=O)OC)c1	272815898	MAULNKSSABMRMU-AWEZNQCLSA-N	305.378	1.791	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNc1nnc(-c2ccccn2)s1	367529094	YLIIKGQAXCHNKK-UHFFFAOYSA-N	314.374	2.248	50	20	DDGD	
CC(C)Cn1cc(NC(=O)C(=O)NNc2ccc(F)cc2)cn1	273068141	CYFVIOMSIAJHKF-UHFFFAOYSA-N	319.340	1.760	50	20	DDGD	
O=C(O)c1ccc(NS(=O)(=O)CCCCCl)c(O)c1	276186096	GEXRKPWLBLTCTB-UHFFFAOYSA-N	307.755	1.851	50	20	DDGD	
CC[C@]1(C(=O)NN(C)C(N)=O)CCCN1C(=O)OC(C)(C)C	368402021	IKFVWYPVDBCZNG-CQSZACIVSA-N	314.386	1.208	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@H]2CCO[C@@H](C)C2)cc1	271822734	DDWADYKVXHQUBC-RYUDHWBXSA-N	321.377	1.070	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@@H](C)O)ccc1OCCC(C)C	276081108	ICVJZPKCRHBVPC-LLVKDONJSA-N	324.377	1.262	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)COCc2ccccc2)CCO1	271322572	YLTQBVZMWMOXFT-OCCSQVGLSA-N	321.377	1.101	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)C2(C)COC(C)(C)OC2)n1	272113159	OBDCHUBQOKHQIR-UHFFFAOYSA-N	314.773	1.671	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2CCCCC(=O)N2)cccc1[N+](=O)[O-]	279420269	JPGSGVRLCWKUOP-NSHDSACASA-N	306.322	1.405	50	20	DDGD	
COCCN(C)NC(=O)Cc1ccccc1Br	288334901	FEHHOAVKIUZBOQ-UHFFFAOYSA-N	301.184	1.601	50	20	DDGD	
CSSCCNC(=O)NCCc1cccc(C(N)=O)c1	285255882	DKIOFMYLPIDKDI-UHFFFAOYSA-N	313.448	1.638	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2sccc2Cl)n1	284986150	MKACSHPEFHAIRY-UHFFFAOYSA-N	312.782	1.676	50	20	DDGD	
COCCN(C)NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2	288570985	QUJZWZZSKASBKJ-SECBINFHSA-N	309.391	1.342	50	20	DDGD	
COC(=O)[C@H]1CC[C@H](C(=O)NNC(=O)c2cccc(C)n2)CC1	280971094	ILWDISVQTVLHPA-HAQNSBGRSA-N	319.361	1.130	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)C(=O)NCc1ccc(F)cc1	808246372	BORFWUGZFGCFGN-UHFFFAOYSA-N	307.152	1.704	50	20	DDGD	
COC(=O)c1cccc(C(=O)NN(C)C(=O)OC(C)(C)C)c1	297810208	WUBOVVQIOMULSV-UHFFFAOYSA-N	308.334	1.985	50	20	DDGD	
CC(C)O[C@H](C(=O)NNC(=O)N1CCOCC1)c1ccccc1	292215451	QEQXRMIZDIRNCZ-AWEZNQCLSA-N	321.377	1.226	50	20	DDGD	
O=C(CCSc1ccccc1)NNC(=O)N=c1cc[nH]cc1	802026700	VTHSDAFSANHIJJ-UHFFFAOYSA-N	316.386	1.839	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCCC(C)(F)F)cc1	297808254	YPBRYJZZBJSVIP-UHFFFAOYSA-N	315.320	1.750	50	20	DDGD	
COCc1cnc(NC(=O)NNC(=O)c2ccncc2)s1	806609831	HGTLWNGQCVYJHZ-UHFFFAOYSA-N	307.335	1.151	50	20	DDGD	
COCc1ncc(C(=O)NNC(=S)NCC2CCC2)s1	803179262	JPGYFNIZKWZQTR-UHFFFAOYSA-N	314.436	1.199	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H]1CCCN1Cc1ccccc1	299045662	NKLWJJUAZFNNPF-HNNXBMFYSA-N	303.406	1.845	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cc2c([nH]1)CCCC2	296164088	KPHBAPCZGOLNNF-UHFFFAOYSA-N	304.272	1.400	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)C(C)(C)C)cc1OC	298613369	JGBNFYKJUDOCPL-UHFFFAOYSA-N	309.366	1.580	50	20	DDGD	
CC(=O)NCC[C@H]1CCCN(C(=O)NNC(=O)C(C)(C)C)C1	808268393	LZQKBSULZZIERQ-GFCCVEGCSA-N	312.414	1.012	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCc1ncnn1CCF	801278764	PKJARBCGAHKJAJ-KPKJPENVSA-N	316.292	1.604	50	20	DDGD	
COCCN(C)NC(=O)c1csc(Nc2ccccn2)n1	293651849	OUBXFVGNVJJZJU-UHFFFAOYSA-N	307.379	1.505	50	20	DDGD	
COc1cccc(CNC(=O)NNC(=O)C(C)(C)C)c1OC	298976870	PATJHKDXYHBPNR-UHFFFAOYSA-N	309.366	1.580	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@](C)(OC)C2CC2)cc1	292360040	ORVZSNWHCOZCMN-KRWDZBQOSA-N	320.389	1.590	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C2CC(C)(C)C2)cc1	806364454	WXMBRKWVAJBZFZ-UHFFFAOYSA-N	305.378	1.691	50	20	DDGD	
CCCN(CC)C[C@@H](C)NC(=O)NNC(=O)Cc1cccnc1	290804864	PQIHNOUJKCCMFS-CYBMUJFWSA-N	321.425	1.075	50	20	DDGD	
CCC[C@@H](CNC(=O)NNC(=O)c1cccc(N(C)C)c1)OC	296843115	LAECUWQWWLSJST-AWEZNQCLSA-N	322.409	1.512	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)N=c2cc[nH]cc2)CC1	802026660	IODVRTSMTGJCPU-UHFFFAOYSA-N	310.357	1.696	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCc2c1ccc(OC)c2F	807975530	USHIJJBFNIECTD-JTQLQIEISA-N	324.352	1.652	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2ccc(C(=O)O)cc2)o1	818874960	OTVQRMMPBWOQNT-UHFFFAOYSA-N	317.301	1.430	50	20	DDGD	
O=C(CCCC1CC1)NNC(=O)Cc1cn2ccccc2n1	812525851	OTYOFUYYKTYSFX-UHFFFAOYSA-N	300.362	1.605	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)NCc1nnn(C)n1	813153497	RLFUOMHYYYPORP-UHFFFAOYSA-N	303.370	1.468	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@](C)(OC)C2CC2)cc1	813576466	SBCAFPRWJCYFKB-HNNXBMFYSA-N	307.350	1.663	50	20	DDGD	
C[C@@](C#N)(CC(=O)O)C(=O)NNC(=O)c1cc2ccccc2o1	819846907	IDWJUPHUCRBGMR-HNNXBMFYSA-N	315.285	1.198	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cccn2C)nn1C(C)C	817357753	GXXRBGWVDVNFMY-UHFFFAOYSA-N	304.354	1.577	50	20	DDGD	
O=C(Cc1cccnc1)NN=C1CCO[C@@H](C(F)(F)F)C1	814837645	FUYOKDKEQAXAPF-LLVKDONJSA-N	301.268	1.838	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)c2ccc(C#N)cc2)n1C	814823797	WVGDEISEZOXCGX-UHFFFAOYSA-N	310.313	1.447	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCC(=O)c1ccc2c(c1)CCC2	823988968	YRVPQIOUTVPSOC-LBPRGKRZSA-N	304.390	1.482	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@@H]21	491129639	HJPJQCLQRHGYEH-JLBBBHBTSA-N	305.378	1.194	50	20	DDGD	
CSC[C@@H](CCO)NC(=O)/C(C#N)=C/c1ccc(F)cc1	490872823	CGFCKAZRRFLCAL-CEFACKQISA-N	308.378	1.963	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1CCCC1	826445035	DGVDNABYPDLHEQ-UHFFFAOYSA-N	307.745	1.548	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)C[C@H]1CCC(=O)N1C	822731625	KRXQNUQDHSEQRN-SECBINFHSA-N	323.324	1.066	50	20	DDGD	
CN(NC(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccccc1	729501348	KGIZVUPENSOOOY-GJZGRUSLSA-N	304.394	1.200	50	20	DDGD	
CC(C)(C)NC(=O)CCNC(=O)NNC(=O)OC(C)(C)C	491099225	YAMNMGWVLSIGBJ-UHFFFAOYSA-N	302.375	1.030	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@@H]2CSCCS2)cn1	491103748	LUFHDCCBFDGNLA-KBVBDRTLSA-N	308.432	1.292	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1cccc(N(C)C)c1	826035804	JFBDQUONRFUWGD-BXUZGUMPSA-N	320.393	1.008	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1sccc1OC(F)F	729343986	NAVKVTIECIBJGO-UHFFFAOYSA-N	323.321	1.330	50	20	DDGD	
CCC[C@H](NC(=O)c1cc(B(O)O)ccc1F)C1CCCC1	585002533	YCDCDWVJPRQCJZ-HNNXBMFYSA-N	307.174	1.594	50	20	DDGD	
COC(=O)N1CCC([C@H](C)NC(=O)NNc2ccccn2)CC1	492530017	JEBOVSHIVJKSBC-NSHDSACASA-N	321.381	1.575	50	20	DDGD	
OB(O)c1ccc(-c2noc(-c3coc(CC4CC4)n3)n2)cc1	585053149	BYZUQUDFTNPIFV-UHFFFAOYSA-N	311.106	1.024	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1cc(Cl)c(OC)cc1C	496712216	JMBKSVCYLYJRSP-UHFFFAOYSA-N	322.770	1.596	50	20	DDGD	
CCCC1(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)CCC1	494639298	FBNFWIXXVIXIOE-UHFFFAOYSA-N	313.398	1.629	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCCOC(=O)C1CC1	491008243	HPQNIEXBKLGVIN-LCYFTJDESA-N	300.314	1.369	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1C(=O)NNC(=O)c1cncc(NC(C)=O)c1	827148617	MPTNSUUVQFIYPF-RISCZKNCSA-N	318.377	1.627	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)/C=C\c1scnc1C	492715415	KRCKEIHMMMNXGV-FPLPWBNLSA-N	317.370	1.935	50	20	DDGD	
Cn1ccc(C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)c1	494095551	WKWNHBGUDVDHQE-UHFFFAOYSA-N	324.381	1.091	50	20	DDGD	
CC(=NNC(=O)c1sc(N)nc1C)c1ccc(C(=O)O)cc1	825804856	YXQIOVFBVAYERA-UHFFFAOYSA-N	318.358	1.886	50	20	DDGD	
CN1[C@H]2CC[C@H]1CN(C(=O)[C@@]1(C)C[C@@H]1Br)CC2	906867387	NESHUXKGLUMOJY-ZPFDUUQYSA-N	301.228	1.855	50	20	DDGD	
O=C(NCCCN1CCCCC1=O)NNC(=O)c1ccccc1	730129201	JRSSPADQKXATSJ-UHFFFAOYSA-N	318.377	1.033	50	20	DDGD	
COC(=O)[C@H](C)CS[C@@H](C)C(=O)NNC(=O)CC(C)C	734980893	CLTUWNPHVFFWOI-ZJUUUORDSA-N	304.412	1.111	50	20	DDGD	
N#C/C(=C/c1cnc2ccc(-c3nn[nH]n3)cn12)C(=O)C1CCC1	737673037	VIYRSCKMHFXDLN-SDQBBNPISA-N	319.328	1.791	50	20	DDGD	
O=C(NN=Cc1c[nH]c2ccccc12)[C@H]1CCS(=O)(=O)C1	730577323	GWGCCJSWLXYQEK-JTQLQIEISA-N	305.359	1.053	50	20	DDGD	
Cc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1cccc(B(O)O)c1	584952288	UDWNWCPRMGANFH-WMZOPIPTSA-N	309.174	1.135	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2c(C)cc(C)nc2C)nc1	907143899	JUNQXNUHKLUWFT-UHFFFAOYSA-N	314.345	1.945	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(N)=C(C#N)C#N)c(OCC(=O)O)c1	734483211	JOCCWPPOPUYJNM-WCIBSUBMSA-N	324.296	1.326	50	20	DDGD	
CN(NS(=O)(=O)CCc1ccccc1)C(=O)OC(C)(C)C	496769100	FCBKMRIMOMMXBI-UHFFFAOYSA-N	314.407	1.930	50	20	DDGD	
CN(C)C(=O)[C@@H](NNC(=O)c1cccc(C#N)c1)c1ccccc1	734849640	JVHCTUNLVWVOAV-INIZCTEOSA-N	322.368	1.622	50	20	DDGD	
COCCCC(C)=NNC(=O)CCNC(=O)OC(C)(C)C	495090675	YLEFLPPHJKZTPR-UHFFFAOYSA-N	301.387	1.820	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@@H](C(=O)O)[C@@H](C)C1	833016374	UWMPRVCMYHFWBP-GZMMTYOYSA-N	313.785	1.531	50	20	DDGD	
C[C@H]1C[C@H](c2ccsc2)CN1C(=O)c1cccc(B(O)O)c1	584949019	FTTYWQJPDMJADD-FZMZJTMJSA-N	315.203	1.446	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1cccc(OC(F)(F)F)c1	730946891	SKPLHCRSUYSNAH-UHFFFAOYSA-N	303.284	1.987	50	20	DDGD	
CC(C)[C@H]1N(C(=O)c2ccc(B(O)O)cc2)CC12CCCCC2	584999599	XUHCVWBNTZLOHM-MRXNPFEDSA-N	315.222	1.797	50	20	DDGD	
C[C@@H]1CCCC[C@H]1CCNC(=O)c1cc(B(O)O)ccc1F	584947265	KHAJWBNSQLPJQQ-NEPJUHHUSA-N	307.174	1.452	50	20	DDGD	
CCN1CCCN(C(=O)[C@]2(C)C[C@@H]2Br)CC1=O	907650674	HAEKVACQPANONR-JOYOIKCWSA-N	303.200	1.241	50	20	DDGD	
COc1ccc([C@H](NCc2ccccc2B(O)O)C(C)C)cc1	585014711	BMFITZICRNPCOV-GOSISDBHSA-N	313.206	1.862	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CC23CCOCC3)c1F	837060284	KVRDOACFKYDLBS-LLVKDONJSA-N	322.336	1.872	50	20	DDGD	
NOCCCNS(=O)(=O)c1ccc(CCCCl)cc1	903528642	RCOPYAHJAYEDPG-UHFFFAOYSA-N	306.815	1.417	50	20	DDGD	
COC[C@@H](C)NC(=O)NNc1cccc(Br)n1	837329589	NZLQWWFWAIZCSD-SSDOTTSWSA-N	303.160	1.505	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)[C@@H]3CCCCO3)cc2s1	833241526	BJUWPAQWLAQOAZ-LBPRGKRZSA-N	319.386	1.935	50	20	DDGD	
CCc1cc(NNC(=O)[C@@H]2CCOC2)nc(-c2ccccn2)n1	738532239	UARDHAJXCRYWAW-LLVKDONJSA-N	313.361	1.581	50	20	DDGD	
CC[C@@](C)(C=NNC(=O)C1CCN(c2ncccn2)CC1)OC	834956008	LFEBAQXMDPWUIQ-INIZCTEOSA-N	319.409	1.610	50	20	DDGD	
CC1=NO[C@H](C(=O)Nc2cccc(NC(=O)NN(C)C)c2)C1	834663540	RNVZUTTUKQIYIN-LBPRGKRZSA-N	305.338	1.388	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)o1)[C@H]1Oc2ccccc2[C@@H]1C	585025756	BWSBKHBPMBZDIV-MMPTUQATSA-N	301.151	1.002	50	20	DDGD	
C[C@@H](Sc1ccccc1C(=O)NN=c1cc[nH]cc1)C(=O)O	833545506	IXCIGLLKHAJPGU-SNVBAGLBSA-N	317.370	1.826	50	20	DDGD	
O=C(NNc1cc(O)nc2ncccc12)[C@H]1C[C@H]2CC[C@H]1O2	913992942	MKCLPDUKOZXDMA-UBHAPETDSA-N	300.318	1.346	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNc2nccnc2C2CCC2)CC1=O	839764365	AIPRXSZFQAAFHP-LBPRGKRZSA-N	317.393	1.446	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C2CC=CC2)o1	735938578	BBNMOGHTXDHPJG-UHFFFAOYSA-N	303.326	1.387	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNc1ncccc1C(F)(F)F	839688128	LUYYERNVPNDNOC-QMMMGPOBSA-N	318.299	1.691	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNC(=O)[C@@H]1CCCCO1	833246463	KVSAYLHJFBZIDB-ZDUSSCGKSA-N	309.366	1.058	50	20	DDGD	
CCC1(C(=O)NNc2cc(O)nc3ncccc23)CCOCC1	913991320	PKCUHMIQSOAGIM-UHFFFAOYSA-N	316.361	1.985	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1ccccc1-n1cccn1	742773364	DWKJPZVMAMFBRD-UHFFFAOYSA-N	301.350	1.359	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)[C@@H]1C[C@@H]1c1ccc(F)cc1	743470092	NJPNDANZTKZZOP-GHMZBOCLSA-N	312.308	1.739	50	20	DDGD	
CN(CCn1cc(Br)cn1)S(=O)(=O)CCl	831564193	SIGQPKNQAMEYSP-UHFFFAOYSA-N	316.608	1.104	50	20	DDGD	
NC(=O)c1c[nH]c(C(=O)NNc2cccc(Br)c2)c1	748032551	MCFYYJVJMOTRBF-UHFFFAOYSA-N	323.150	1.633	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1ccc(Br)o1	842557416	DLRDNJFBAKQGQD-APPZFPTMSA-N	301.140	1.917	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)nn1[C@H](C)C1CC1	843662354	QSWPOCXPZIAPPH-NQBHXWOUSA-N	320.393	1.349	50	20	DDGD	
COCCOCC(C)=NNC(=O)COc1cc(C)cc(C)c1	741161187	KGJQJUZKNQIJNB-UHFFFAOYSA-N	308.378	1.837	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)Cc1cn2ccccc2n1)C1CC1	746756365	OSBIPSIDEVHXRW-NSHDSACASA-N	315.377	1.253	50	20	DDGD	
O=C(O)CC1(C(=O)NNc2nc(-c3ccccc3)no2)CCC1	844249657	MBRITCLJGRGWCB-UHFFFAOYSA-N	316.317	1.825	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1	843663446	YQCYBEIVYGAFAE-WFTWPBCJSA-N	302.374	1.753	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CN(C)C)c1ccccc1C(F)(F)F	743333359	ORZZWTCECJQFBK-SECBINFHSA-N	317.311	1.518	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C/C=C/c1ccccc1[N+](=O)[O-]	916358948	AKGWACJEKIJWOG-GLNLCZHCSA-N	316.317	1.332	50	20	DDGD	
Cn1ccnc(NNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1=O	747937351	CJSDPACPOCOUHK-UHFFFAOYSA-N	323.696	1.099	50	20	DDGD	
CC(=O)c1cccc(OCC(=O)NNC(=O)CC(F)(F)F)c1	918364057	IIQJGZCHLGKZTA-UHFFFAOYSA-N	318.251	1.368	50	20	DDGD	
Cc1c(C=NNC(=O)C(C)(C)C)c(=O)n(-c2ccccc2)n1C	915966871	WVTZWQOEFYCRBE-UHFFFAOYSA-N	314.389	1.981	50	20	DDGD	
COC[C@](C)(O)C(=O)NNc1ccc(OC(F)(F)F)cc1	748501025	BBYGDRHRCUWMFG-NSHDSACASA-N	308.256	1.426	50	20	DDGD	
C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NNC(=O)c1ccncc1	747348234	GHTTYFVCSVOBGN-SJKOYZFVSA-N	313.357	1.397	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)C[C@H]1CCOC1	740177819	UPJYXONYALEJOB-SNVBAGLBSA-N	309.391	1.439	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CSCc2cccnc2)n1	746625645	PNLXQTBAGRDAIJ-UHFFFAOYSA-N	319.390	1.565	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccnc(Cl)c1F	843979251	NCDNOYLAMOPURR-RQJHMYQMSA-N	301.705	1.060	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@@H]1CCN(CC(F)F)C1	842198061	JSYFPBCBKVRTTM-SSDOTTSWSA-N	320.731	1.096	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1	745855167	SCTRMZWWBJFMSI-QWHCGFSZSA-N	304.394	1.422	50	20	DDGD	
C[C@@H](CCN)NC(=O)NNC(=O)c1cc2c(s1)CCCCC2	841967837	QAPODWJGGTWHOW-JTQLQIEISA-N	324.450	1.698	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)[C@H]1CCc2cncn2C1	844136485	HUAAEMWKSFWRFM-NSHDSACASA-N	308.345	1.532	50	20	DDGD	
O=C(NNC(=O)[C@H](C[C@@H]1CCCO1)C(F)(F)F)c1ccc[nH]1	845106723	KJAWQJPJZMJELZ-IUCAKERBSA-N	319.283	1.523	50	20	DDGD	
COc1cccc([C@H](C)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	843643888	AYNSYPFVOUZOCQ-MJVIPROJSA-N	306.362	1.371	50	20	DDGD	
CC(C)N1CCC(C(=O)NNC(=O)NC2CCCCC2)CC1	746094189	DSVXNYBDUPYXOM-UHFFFAOYSA-N	310.442	1.770	50	20	DDGD	
COc1ccc(C2(C(=O)NNC(=O)C3CC3)CCOCC2)cc1	920217914	YNYGXKVYDXUSBO-UHFFFAOYSA-N	318.373	1.301	50	20	DDGD	
Cc1nn(C)c(C)c1[C@H](C)C(=O)NNc1cc(Cl)nc(N)n1	753457667	RRVKWLZJQMNNPI-LURJTMIESA-N	323.788	1.309	50	20	DDGD	
CCn1ncc(Cl)c1C(=O)NNC(=O)Cc1ccccc1C	857153556	GZEJVSJQNQPCMM-UHFFFAOYSA-N	320.780	1.869	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)O)CCC1=NNC(=O)c1cccc(C(=O)O)c1	853426483	NBPTYONDRSEOCD-CABZTGNLSA-N	318.329	1.991	50	20	DDGD	
O[C@H]([C@H]1CCCN1CCI)C(F)(F)F	759359933	LVXDAKPQTOGZDY-RNFRBKRXSA-N	323.096	1.809	50	20	DDGD	
CSc1cccc(NC(=O)NNC(=O)c2cnccn2)c1	755341277	HRNOKMWLCHOMBP-UHFFFAOYSA-N	303.347	1.665	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)C[C@H]1CCCS(=O)(=O)C1	855370043	LLWDQBBIVGJHAX-LLVKDONJSA-N	314.382	1.792	50	20	DDGD	
Cc1c(NNC(=O)c2cnc3[nH]nnc3c2)cccc1[N+](=O)[O-]	755574918	VUXQUJQKCYKWIT-UHFFFAOYSA-N	313.277	1.326	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc(N(C)C)c(F)c1)C1CC1	855101847	CRTKLZCVYLQCFC-SECBINFHSA-N	324.425	1.799	50	20	DDGD	
Cc1c(CCC(=O)NC[C@@]2(C)C[C@@H]2Br)cnn1C	857394872	PEJMCEFJQVTUPJ-WCQYABFASA-N	314.227	1.951	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@H]2CCOC[C@@H]2C)c1	858451649	WUBXEPMVXMLHSU-WDEREUQCSA-N	311.407	1.673	50	20	DDGD	
CN(C)C(=O)OCCNC(=O)/C(C#N)=C\c1ccc(F)cc1	855651991	VULJNYBCHYRRRR-XFXZXTDPSA-N	305.309	1.547	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1CCCC(=NNC(=O)c2cc[nH]n2)C1	853391875	YTIPTLJTZHXFEL-SNVBAGLBSA-N	321.381	1.963	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CN(C)C(=O)C2CC2)ccc1C	857267804	PJRHKQVTYOCUCY-UHFFFAOYSA-N	319.361	1.093	50	20	DDGD	
CC(C)N1CCC[C@H]1C(=O)NNC(=O)COc1ccc(F)cc1	929290817	DTTMTRBRPVJJEI-AWEZNQCLSA-N	323.368	1.225	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=S)NC[C@H]1CCCCO1	758181655	SKYVTPSDSCRYMY-GFCCVEGCSA-N	307.419	1.673	50	20	DDGD	
Cc1nc2ccnn2cc1C(=O)NC[C@@]1(C)C[C@@H]1Br	857386454	VEMYNVMTMHBVHK-GXFFZTMASA-N	323.194	1.941	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cn(C2CC2)nn1)c1ccccc1	859329631	MGCUVIAOBLIIKF-CYBMUJFWSA-N	313.361	1.568	50	20	DDGD	
N#CSCCCNC(=O)Cn1nc(-c2ccccc2)oc1=O	854362959	ISPRMNLAPLSHJU-UHFFFAOYSA-N	318.358	1.224	50	20	DDGD	
C[C@@H](CN1CCCCCC1)C(=O)NN=Cc1cnc2n1CCC2	853281219	PWFLZYIGBIOIMB-AWEZNQCLSA-N	317.437	1.792	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1cc2cccc(Cl)c2o1	755268251	FIAQKFMKOCQDRK-UHFFFAOYSA-N	318.720	1.813	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCCCCC1)c1nccn1C	755589064	YAUKRYJUPARYEU-CYBMUJFWSA-N	305.426	1.772	50	20	DDGD	
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NNC(=O)CNc1ccccc1	856773070	OVGYJELNUORUSV-CHWSQXEVSA-N	305.378	1.450	50	20	DDGD	
C[C@@]1(CNC(=O)NOCc2cccnc2)C[C@H]1Br	856843963	SGOVKLGUOVMTEM-PWSUYJOCSA-N	314.183	1.986	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2nnnn2C2CC2)cc1F	853801300	UMWQQORMRRFAFC-UHFFFAOYSA-N	305.317	1.282	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccccc1OCC(F)(F)F	755592626	JYAAIOYTGJCGPL-UHFFFAOYSA-N	321.255	1.427	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cc2c(nc1O)CCC2	855091853	GZMZLTYYUWTWGO-UHFFFAOYSA-N	320.418	1.185	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Nc2cncnc2OC)cc1	757689204	BHDHRJLOCWWCFE-UHFFFAOYSA-N	315.333	1.514	50	20	DDGD	
O=C(Cc1cscn1)NNC(=O)c1cc2c(s1)CCC2	854203731	XIIDHXZJXAFUOR-UHFFFAOYSA-N	307.400	1.697	50	20	DDGD	
CC(C)CN(C)S(=O)(=O)NC[C@@]1(C)C[C@@H]1Br	856755044	RLCNDSHIPNKNED-VHSXEESVSA-N	313.261	1.582	50	20	DDGD	
CCCn1nccc1C(=O)NNC(=O)c1cccc(OC)c1O	857012843	VZSCKJOYFZJLDU-UHFFFAOYSA-N	318.333	1.082	50	20	DDGD	
C[C@]1(CNC(=O)NO[C@H]2CCCCO2)C[C@@H]1Br	856853049	KFZXIMBPFCHBEL-ATZCPNFKSA-N	307.188	1.917	50	20	DDGD	
CO[C@H](C=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1)C1CC1	853281107	NTZBVHPIANUCFV-GUIRCDHDSA-N	311.426	1.259	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNC(=O)Cc2ccc(F)cc2)n1	864516024	IUFYRRYICZWLHJ-LLVKDONJSA-N	318.352	1.357	50	20	DDGD	
CC(=O)c1cccc(OCC(=O)NN[C@@H](C)C(F)(F)F)c1	862304025	GFAVAWOLUGVIHX-VIFPVBQESA-N	304.268	1.840	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)n[nH]1	768277539	GTAIISWFOMDAJJ-BXKDBHETSA-N	316.361	1.828	50	20	DDGD	
COCCOCC(=O)NNC(=O)CCc1cc(C)cc(C)c1	869908643	SIHDUNLKMSQNBC-UHFFFAOYSA-N	308.378	1.046	50	20	DDGD	
COCCC(Cc1cccc(F)c1)=NNC(=O)[C@H]1CCC(=O)N1	863146153	TXGVMRWEAPAAGQ-CQSZACIVSA-N	321.352	1.156	50	20	DDGD	
CCCc1nnc(S)n1CC(=O)NNc1cccc(C)n1	862523445	DMDKPWXJUCMHII-UHFFFAOYSA-N	306.395	1.366	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H](C)Cc2ccccc2F)n[nH]1	869015032	ZZGNYLMDIIVRJV-JTQLQIEISA-N	318.352	1.426	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNC(=O)C(C)(C)C)n(C(C)(C)C)n1	761071319	CFOXQMDEUHKOEX-UHFFFAOYSA-N	323.397	1.079	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)c1cnc2nccnc2c1	760257491	UJUMVLAQNDIZNG-UHFFFAOYSA-N	316.324	1.752	50	20	DDGD	
COc1ccc(NNC(=O)CCc2nc(C)no2)c([N+](=O)[O-])c1	768328409	XUSPGOIKNYAJOH-UHFFFAOYSA-N	321.293	1.371	50	20	DDGD	
O=C(NC[C@H]1COCCN1)NNc1ccc(Cl)c(F)c1	861683195	GXVNLLHPDQOHCA-VIFPVBQESA-N	302.737	1.094	50	20	DDGD	
COC[C@H](C)NC(=S)NNC(=O)c1nc2ccccc2s1	766756601	NWFVWNFIOYNLGJ-QMMMGPOBSA-N	324.431	1.440	50	20	DDGD	
CSc1ccc(Cl)cc1NC(=O)C(=O)NNC(C)=O	763516473	IWFIHLZWBWTYDH-UHFFFAOYSA-N	301.755	1.168	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Cc2cc(C)[nH]n2)c1C	869019492	VYBSLZFTJCJOAI-UHFFFAOYSA-N	302.334	1.039	50	20	DDGD	
O=C(CO[C@@H]1CCOC1)NNc1ccc(Br)cc1	1116194550	QTKZLFPRXNBGNO-LLVKDONJSA-N	315.167	1.698	50	20	DDGD	
Cc1cc(C)cc(NC(=O)C(=O)NNC(=O)c2ccccn2)c1	763463955	OMEASOAWWKXOQI-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
Cn1nc(C(=O)NN=CC[C@@H]2CCOC2)c2ccccc2c1=O	765560826	WQIZVZJABBSAJW-LLVKDONJSA-N	314.345	1.076	50	20	DDGD	
CCOc1cccc(C=NNC(=O)Cn2cnc3ccccc32)n1	763127571	HYJJBJDBCPZUAH-UHFFFAOYSA-N	323.356	1.980	50	20	DDGD	
O=C(NN=C1CCC[C@@H]1F)c1csc(N2CCOCC2)n1	872333942	GOHKMGHKZHPKDG-VIFPVBQESA-N	312.370	1.588	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NNc1ccnc(N(C)C)n1	878920285	PQTVLEGPYCEPNQ-RNCFNFMXSA-N	315.381	1.075	50	20	DDGD	
CCn1nncc1CNC(=O)NNc1c(F)cccc1Cl	875766264	MIXCQYXGDQGQBN-UHFFFAOYSA-N	312.736	1.917	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1	873757201	YCPYMBGNRGOGIE-MWLCHTKSSA-N	308.363	1.286	50	20	DDGD	
CCC(=O)Nc1cccc(CNC(=O)NN(C)C(=O)OC)c1	875055055	LQBAUZNGWAPQQT-UHFFFAOYSA-N	308.338	1.448	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@H](C)[C@H](C)N2CCOCC2)n1	875243151	RRZDFNCHDBNLLO-OLZOCXBDSA-N	307.398	1.125	50	20	DDGD	
CCN(C(=O)NC[C@]1(C)C[C@@H]1Br)[C@@H]1CCNC1	1119478150	SYOFRNOUDLTWED-SCVCMEIPSA-N	304.232	1.553	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@@H](O)C(C)C	873853668	IVNRACGYKKMSIA-ZDUSSCGKSA-N	309.435	1.892	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1ccncn1	778331665	MCRVNVIGRFEUJV-UHFFFAOYSA-N	306.709	1.213	50	20	DDGD	
Cc1ccncc1[C@@H](C)NC(=O)NNC(=O)c1cccc(C#N)c1	771441876	RHPGYNOUUQCVDI-GFCCVEGCSA-N	323.356	1.967	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1ccc(Cl)cn1	774339882	BTVSYICHKLXSFS-LLVKDONJSA-N	324.812	1.544	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@H]1C=NNC(=O)[C@@H]1CCOC1	872369710	NPQSVOSTPWGANX-YNEHKIRRSA-N	306.366	1.119	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2cnc([C@@H](C)O)s2)cs1	773026885	DROFINSHLTUOIP-SSDOTTSWSA-N	310.404	1.654	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc2c(c1)CCC(=O)N2C	887145666	MZDSKCBTQFKJFK-UHFFFAOYSA-N	313.357	1.160	50	20	DDGD	
C[C@@H](CBr)COC(=O)[C@@H](C)N1CCSCC1	770397208	AIRZDPRFKRAUIJ-VHSXEESVSA-N	310.257	1.998	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCOc1cccc(OC)c1	887149012	GKUFUAJBIWFPGQ-UHFFFAOYSA-N	304.346	1.415	50	20	DDGD	
CS(=O)(=O)Cc1cn(/C(Cl)=C/CBr)nn1	881310540	LREUGADREMJHCX-FARCUNLSSA-N	314.592	1.255	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1Oc2ccccc2O[C@H]1C	887140937	YLAOLNHEWLLIID-XHDPSFHLSA-N	302.330	1.166	50	20	DDGD	
COc1ccc(C=NNC(=O)Cn2cnc3ccccc32)cn1	780196491	WBVHLSHUHZGCMI-UHFFFAOYSA-N	309.329	1.590	50	20	DDGD	
CC[C@@]1(C)CN(CC(=O)NNC(=O)c2cccc(C)c2)CCO1	785493331	REENJOJGKRFBAH-KRWDZBQOSA-N	319.405	1.257	50	20	DDGD	
Cc1c(NNC(=O)C(=O)Nc2cccnc2)cccc1[N+](=O)[O-]	784351298	MOVNRZZZMOUKFS-UHFFFAOYSA-N	315.289	1.380	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccnc(C3CC3)c2)nc1	783592771	JSIRUVVHTICWOD-UHFFFAOYSA-N	312.329	1.898	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CCN2C(C)(C)C)c(F)c1	897943425	VGCOVYPLYRZBNZ-CYBMUJFWSA-N	323.368	1.928	50	20	DDGD	
CCCOc1cc(OC)ccc1C(=O)NNC(=O)NC1CC1	789743382	ACVOSCUSHYAECV-UHFFFAOYSA-N	307.350	1.590	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCCC(C)(C)N)c1ccccc1	892857961	CHZCHZQUOXWFLY-ZDUSSCGKSA-N	306.410	1.638	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2cc(F)c(F)cc2F)C1	787134739	ZRHGFVVONAJZQE-HTQZYQBOSA-N	315.295	1.839	50	20	DDGD	
Cc1nc(NC(=O)C(=O)NNc2cccc(C#N)c2)sc1C	789746391	XIAKGXUHFXKTCF-UHFFFAOYSA-N	315.358	1.713	50	20	DDGD	
CC1=C(C)CN(CC(=O)NNC(=O)c2cccc(C)c2)CC1	796590339	SVUXXLPSCMTSTI-UHFFFAOYSA-N	301.390	1.798	50	20	DDGD	
COc1nccnc1NNC(=O)c1coc(C2CCOCC2)n1	791225712	NJFSLSALLHGIRY-UHFFFAOYSA-N	319.321	1.124	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNc1cc(Cl)nc(N)n1	790874080	LGXINORHPWEDMA-UHFFFAOYSA-N	322.756	1.571	50	20	DDGD	
C[C@@H]1CC[C@H](CNC(=O)NNC(=O)c2ccc(C#N)cc2)C1	792875417	ZACYIZKXRCPYPV-YPMHNXCESA-N	300.362	1.938	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@H]1CN(C)CCO1	798141666	DIIWQZDKLBTOGT-SECBINFHSA-N	313.789	1.027	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)NCC1C(C)(C)C1(C)C	793479863	ITFZGIZMMHWHNR-JTQLQIEISA-N	315.414	1.051	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)c1ccc(C(F)(F)F)s1	794819151	BQHFNMMGRNPSTR-UHFFFAOYSA-N	323.296	1.053	50	20	DDGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CCC(O)CC1	36900444	LACZMRSSYFUWQE-UHFFFAOYSA-N	303.811	1.613	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)c1ccccc1O	794897822	WXJUXOKQGVPIGJ-IBHVXFMWSA-N	324.380	1.547	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@H](C)c1cccc(OC(C)C)c1	1318882542	NPOXXKIVXFOZQO-SNVBAGLBSA-N	323.349	1.038	50	20	DDGD	
Cc1coc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)c1C	1325981585	WINOSVBYTVNKMN-LLVKDONJSA-N	310.350	1.635	50	20	DDGD	
O=C(CO[C@@H]1CCOC1)NNc1cncc(Br)c1	1320247602	OWKDLUFSRDDUKN-SNVBAGLBSA-N	316.155	1.093	50	20	DDGD	
C[C@@H](CC(=O)OC(C)(C)C)NC(=O)/C(C#N)=C/c1cnn(C)c1	1324356304	JRBCFCNHDNWKGX-DELQEKLWSA-N	318.377	1.564	50	20	DDGD	
CCn1cc(CC(=O)NNC(=O)c2ccccc2Cl)cn1	1320494348	NRPRCLOHVWFHRV-UHFFFAOYSA-N	306.753	1.560	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1scc2c1OCCO2	1326778014	SUGAESPABWNLEL-UHFFFAOYSA-N	301.393	1.037	50	20	DDGD	
C=C(C)CN(C)C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1328547495	LLCWJJPVVTUGDH-BXKDBHETSA-N	303.200	1.311	50	20	DDGD	
CN(C)c1ccc(CCNS(=O)(=O)CBr)cc1	1320854889	QFVOHGUVWIFVKQ-UHFFFAOYSA-N	321.240	1.567	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccc3nn[nH]c23)cc1	1321633803	MXBPPIUAJVMKQS-UHFFFAOYSA-N	311.301	1.041	50	20	DDGD	
CCOC(=O)NN=Cc1c(Br)cc(C(=O)O)n1C	1251898581	BUDJWZASWMGRLK-UHFFFAOYSA-N	318.127	1.566	50	20	DDGD	
O=C(CCl)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1	1253963504	SWTOCWXFGUVATM-UHFFFAOYSA-N	322.796	1.318	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H](O)[C@@H](C)c1ccccc1F	1348501645	LMHQRJSJBOXOLG-JOYOIKCWSA-N	313.398	1.194	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H]1C[C@H](N)C12CCC2	1355686629	POQJFTULFPPSAI-NWDGAFQWSA-N	310.829	1.738	50	20	DDGD	
O=C(NNC(=O)c1ccc(C(=O)O)o1)c1cccc(Cl)n1	1601555009	MRNIDPLAXLGDBY-UHFFFAOYSA-N	309.665	1.101	50	20	DDGD	
O=C(Cc1nc(C2CC2)n[nH]1)NNc1ccc(F)c(C(=O)O)c1	1601375303	HQYHVBSABVCHJZ-UHFFFAOYSA-N	319.296	1.205	50	20	DDGD	
O=C(NCCc1ccccn1)NNc1ccc(C(=O)O)cc1F	1601515067	ONJXHJRICLUEKD-UHFFFAOYSA-N	318.308	1.788	50	20	DDGD	
O=C(Cn1cccc(C(=O)O)c1=O)NNc1ccc(Cl)cc1	1601387500	KCHDFCMTWKFSGH-UHFFFAOYSA-N	321.720	1.343	50	20	DDGD	
Cc1c(NNC(=O)[C@H]2CCc3cncn3C2)cccc1C(=O)O	1600052303	HAQNCJOONLDGOL-NSHDSACASA-N	314.345	1.595	50	20	DDGD	
COc1ccccc1C(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1	1609363170	SBXHYGIOCPQZMB-UHFFFAOYSA-N	322.328	1.639	50	20	DDGD	
Cc1c(NNC(=O)NCCC[C@H](C)CO)cccc1C(=O)O	1607552679	SECDCOVKSMJUKD-JTQLQIEISA-N	309.366	1.728	50	20	DDGD	
CCCCC[C@H](O)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1609209110	MCAJEHNETPMBDB-LBPRGKRZSA-N	304.354	1.251	50	20	DDGD	
O=C(O)[C@]1(C(=O)NNc2ncccc2F)C[C@H]1c1ccccc1	1608566748	XRKKSPJHCGBFBY-MEDUHNTESA-N	315.304	1.922	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2CCn3cncc3C2)c(F)c1	1610835745	SFZJNJSBMFHPLM-VIFPVBQESA-N	318.308	1.426	50	20	DDGD	
CCOC1CC(=NNC(=O)[C@@H]2CCCO[C@@H]2c2nccn2C)C1	1549308768	DMNMTMVLSRYBRM-IUZLNWEFSA-N	320.393	1.559	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@@H](C)CC(=O)O)cc(C#N)n1C	1611122532	QHOCHCSAIMHYBN-IWKZGAEBSA-N	300.318	1.092	50	20	DDGD	
CCc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)cc1	1549314603	JGNOEJIBJKKAGW-HOTGVXAUSA-N	301.390	1.562	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)Nc1ccc(C(=O)O)cc1	1610700271	NTPDMRMLKGFWRH-IJLUTSLNSA-N	319.317	1.105	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@H](CC(F)F)C(=O)O	1610618336	GQAMEBBNZJRNRW-FZPLPXEFSA-N	312.247	1.957	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H]2CCCCN2)cc1C	1578061203	UCAOICHRNOQIBK-AWEZNQCLSA-N	305.378	1.757	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)[C@]1(F)CCNC1	1574334419	POKQVGILVRZEEN-NSHDSACASA-N	309.238	1.989	50	20	DDGD	
CC(C)[C@H](NC(=O)NNC(=O)CCCCCN)C(F)(F)F	1575842059	FSGJDFBUPBBWOW-JTQLQIEISA-N	312.336	1.423	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H](C(C)C)[C@H](C)N)c1	1579672616	JXXWDZZFYSHDDX-XJKSGUPXSA-N	321.421	1.449	50	20	DDGD	
CCCC[C@@H](N)C(=O)NNc1cc(Cl)nc(COCC)n1	1577410677	WDZRMVAVOMETDP-SECBINFHSA-N	315.805	1.627	50	20	DDGD	
CC(C)c1cccc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)n1	1589769367	HZZSTOYHBVQDAY-UHFFFAOYSA-N	324.348	1.537	50	20	DDGD	
CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)CBr	1847499416	GODFLNVVDRRFKR-MIMYLULJSA-N	303.200	1.239	50	20	DDGD	
O=C(N[C@@H]1CNOC1)[C@@]1(c2ccccc2)C[C@H]1Br	1580749191	LVSBAAUWYXHFSF-NQBHXWOUSA-N	311.179	1.111	50	20	DDGD	
N#C/C(=C/c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1nccs1	1592662288	KSBNRRRGGBWXGY-XFFZJAGNSA-N	323.341	1.869	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)CCCC(=O)O	1593642875	XFLZLFJICVZTJL-UHFFFAOYSA-N	308.334	1.030	50	20	DDGD	
COc1ccc(NNC(=O)CC(=O)O)c(Br)c1	1599596981	DSYROLWMCLSWDJ-UHFFFAOYSA-N	303.112	1.376	50	20	DDGD	
CCCCNC(=O)NN=Cc1ccc(-c2nn[nH]n2)c(F)c1	1590604513	KOSSDUBJVVLWIJ-UHFFFAOYSA-N	305.317	1.439	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cc(C(=O)O)c(C)n2C)cc1	1599485027	RGMIVABLFZEMIX-UHFFFAOYSA-N	315.329	1.804	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2O)cc1	17526710	AYGMIYAQJMKRFP-UHFFFAOYSA-N	313.313	1.425	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(c2ccccc2F)CC1	158514619	ACEXYLSFKZLART-SEYXRHQNSA-N	303.337	1.918	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)n2cnc3ccccc32)[nH]n1	151162011	MBPOBUODOSURNF-SNVBAGLBSA-N	312.333	1.090	50	20	DDGD	
O=C(C[C@H]1CNCCO1)NNc1ccccc1C(F)(F)F	151760642	BKTCMARECRYZIJ-VIFPVBQESA-N	303.284	1.527	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccn1	152012661	UEXVCSRPAHVSAG-UHFFFAOYSA-N	318.720	1.135	50	20	DDGD	
CC1(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)CC1	152989070	YJSIVYIMWZUPKQ-UHFFFAOYSA-N	309.391	1.371	50	20	DDGD	
CC[C@@H](CC(=O)NNC(=O)[C@@H]1CCCO1)c1ccc(OC)cc1	157868264	ZGIVGUXLLNUNAP-WFASDCNBSA-N	320.389	1.905	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccc3[nH]cnc3c2)cc1	58168540	VXRKMDVZYLDOEK-UHFFFAOYSA-N	323.356	1.744	50	20	DDGD	
O=C(NNc1ccnc2ccccc12)[C@@H]1CCS(=O)(=O)C1	106925722	DNGOQYWLRFSWIQ-SNVBAGLBSA-N	305.359	1.113	50	20	DDGD	
O=C(CC[C@H]1CCCO1)NNC(=O)c1cccc2ncccc12	106811934	YZQCWLGBBQODNQ-GFCCVEGCSA-N	313.357	1.955	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)c2cccc(C#N)c2)CCO1	103517337	ZVFAPNXPOZXMFJ-UHFFFAOYSA-N	302.334	1.023	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)Sc1nnc(C2CC2)[nH]1	116611479	QUQIDHKEFDXSOE-QMMMGPOBSA-N	311.411	1.356	50	20	DDGD	
C[C@H]1CCC[C@@](CNC(=O)NNc2ncccn2)(N(C)C)C1	52587731	SPXIXALYNDRRJZ-SWLSCSKDSA-N	306.414	1.613	50	20	DDGD	
C=CCOc1ccc(C(=O)NNc2cnccn2)cc1OC	114878780	BXFQMNPKEGVHTJ-UHFFFAOYSA-N	300.318	1.807	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](C)Cc2ccc(O)cc2)nn1	106334909	VBGLMKHXYAIXFE-NSHDSACASA-N	301.350	1.748	50	20	DDGD	
COC(=O)[C@H](NNC(=O)c1ccc(C#N)cc1)c1ccccc1	117939098	VTAVEQQYVLPVBY-OAHLLOKOSA-N	309.325	1.707	50	20	DDGD	
Cc1cc2c(cc1C)O[C@H](C(=O)NNC(=O)c1ccncc1)C2	173005768	VKASMOKXTCNHNS-HNNXBMFYSA-N	311.341	1.463	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)CCN1CCCC1	118785738	WMPYRWYIQUUNMH-UHFFFAOYSA-N	312.845	1.907	50	20	DDGD	
C[C@H](CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)c1ccccc1	68742261	BKOWMEDKDKHNQL-UKRRQHHQSA-N	324.446	1.673	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(C)cc([N+](=O)[O-])c2)n1	174480018	KPGHLIDDBRXYIJ-UHFFFAOYSA-N	317.305	1.767	50	20	DDGD	
C=CCOc1ccc(C(=O)NNC(=O)NCC(F)(F)F)cc1	60411563	NQAFUHZNHQFTKW-UHFFFAOYSA-N	317.267	1.758	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)c1cnn(C)c1)c1ccccc1	172269031	XLQIHGAKBCBAOY-GFCCVEGCSA-N	315.377	1.558	50	20	DDGD	
NC(=O)c1cccc(NC(=O)NNc2cccc(Cl)c2)n1	119638678	KYUMZFNZMSWVDZ-UHFFFAOYSA-N	305.725	1.983	50	20	DDGD	
C[C@@H](Oc1ccccc1)C(=O)NNC(=O)Cc1ccccc1F	66785008	XFVFHGNGVLQJPN-GFCCVEGCSA-N	316.332	1.983	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)/C=C/Sc2ccccc2)cn1	172082049	OFSANMRJOFILRM-BQYQJAHWSA-N	302.359	1.487	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNc2cnccn2)cc1OC	119707375	BBQZEIDYNRHYFV-NSHDSACASA-N	316.361	1.816	50	20	DDGD	
COCCC1(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)CC1	121426693	JEUHXQRSRJSOEY-NSHDSACASA-N	324.352	1.557	50	20	DDGD	
CN1CCC[C@H](CNC(=O)NNC(=O)Cc2ccccc2F)C1	66978873	XIPWNAGWYFIURO-GFCCVEGCSA-N	322.384	1.040	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)c2cccc(N(C)C)c2)s1	69296697	MASZZAJBWRDKFC-UHFFFAOYSA-N	318.402	1.901	50	20	DDGD	
C[C@@H](NS(=O)(=O)CBr)c1ccc(C#N)cc1	126696293	NFDMBUWCLFFRGX-MRVPVSSYSA-N	303.181	1.891	50	20	DDGD	
C[C@H](OCc1ccccc1)C(=O)NNC(=O)NCc1ccco1	122784008	XXXBGVCTRGLDSJ-LBPRGKRZSA-N	317.345	1.715	50	20	DDGD	
CC(C)Nc1ncccc1C(=O)NNC(=O)NC1CCCC1	73106682	FIVIHMQPPFVIMY-UHFFFAOYSA-N	305.382	1.789	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNc1cccc(S(C)(=O)=O)c1	181123994	FPBJKHWQCYXXJM-LLVKDONJSA-N	314.407	1.738	50	20	DDGD	
CC(C)[C@]1(C)C[C@H]1C(=O)NNC(=O)COc1ccc(C#N)cc1	185206665	CNXWTSIHKIOTNY-YOEHRIQHSA-N	315.373	1.767	50	20	DDGD	
CN1CCC2(CCCN2S(=O)(=O)CCCCCl)CC1	364215307	OPTJTSCFSPSLJY-UHFFFAOYSA-N	308.875	1.895	50	20	DDGD	
CCNc1nc(C(=O)NNC(=O)c2ccc(C)cc2O)cs1	121233599	RGKIFSZIGWKKKX-UHFFFAOYSA-N	320.374	1.664	50	20	DDGD	
Cc1nc2ccccc2n1CCNC(=O)NNc1cccnn1	77336323	YFEKRFREOQRPMH-UHFFFAOYSA-N	311.349	1.461	50	20	DDGD	
CN(C)CC(=O)NNC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F	128211526	SRKPEVBFSKDZGL-QMMMGPOBSA-N	312.336	1.246	50	20	DDGD	
O=C(CCn1cnc2sccc2c1=O)NNc1ccccc1	78389655	TWYIVNQOHYTQFF-UHFFFAOYSA-N	314.370	1.991	50	20	DDGD	
C[C@@H](CNC(=O)/C(C#N)=C\c1ccc(O)cc1)Cn1cccn1	188199496	VMKIJFZFXSDYRI-GRRFOWRYSA-N	310.357	1.948	50	20	DDGD	
N#Cc1ccc(NNC(=O)Cc2ccc3c(c2)NC(=O)C3)cc1	183708819	YSUGAHJYEFBVJD-UHFFFAOYSA-N	306.325	1.739	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)CC2CCCC2)c1	78407299	HRHVSNDVZLVYBQ-UHFFFAOYSA-N	305.378	1.835	50	20	DDGD	
CN(C)CC(=O)NNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl	77613943	KIVNQFNKMKGMOK-RKDXNWHRSA-N	313.760	1.292	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C1CCCC1	47451575	ZHSQSSOEGWFOGJ-UHFFFAOYSA-N	313.398	1.629	50	20	DDGD	
COC(C)(C)CNC(=O)NNC(=O)Cn1ccc2ccccc21	75311339	DZAAFHKIFNKLHH-UHFFFAOYSA-N	318.377	1.397	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)c1	88423191	KHHYMICWVMPULK-GFCCVEGCSA-N	323.360	1.748	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(Cl)nc1)NC1CCCC1	49419583	HSULUWDDDOANNA-UHFFFAOYSA-N	318.786	1.170	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2scnc2C)c1	46572793	ICXPDQUSPHMLPK-UHFFFAOYSA-N	319.386	1.908	50	20	DDGD	
COCCCNC(=O)NNC(=O)C(C)(C)c1cccc(F)c1	134689191	NLGAVOHUGOBTMW-UHFFFAOYSA-N	311.357	1.470	50	20	DDGD	
CCC[C@H]1CCc2nc(NC(=O)C(=O)NNC(C)=O)sc2C1	193287029	SNBOXBNTJYCLFM-VIFPVBQESA-N	324.406	1.154	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)NCc1nccs1	80043208	PCGOGVAEEKWFAR-UHFFFAOYSA-N	324.337	1.192	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)c3ccccn3)cc2nc1C	198240374	MWNCQJDJWMUJNQ-UHFFFAOYSA-N	321.340	1.716	50	20	DDGD	
COCCOCCC(=O)NNc1cccc(Br)c1	194218760	ISMSYEXKKQAQFO-UHFFFAOYSA-N	317.183	1.945	50	20	DDGD	
O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1nc2ccccn2n1	191901359	GYTLSMVYINGNSM-UHFFFAOYSA-N	312.289	1.323	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2cccc(O)c2)cc1	254816801	QSPRBXSJPDMALS-UHFFFAOYSA-N	300.314	1.930	50	20	DDGD	
Cn1c(=NNC(=O)NC[C@@H]2CCCO2)sc2ccccc21	255229786	WCHVBJSNPQVVMB-JTQLQIEISA-N	306.391	1.534	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CCCSC2)cc1	267289674	IMEHUBTZKPAAFR-LBPRGKRZSA-N	323.418	1.600	50	20	DDGD	
O=C(NCCCn1cnc2ccccc21)NNC(=O)C1CCC1	264715542	KEIBZHOLGPLCFX-UHFFFAOYSA-N	315.377	1.557	50	20	DDGD	
O=C(NNc1ccccn1)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	363927467	XHNGJBATCBRYJS-OYBPUVFXSA-N	301.268	1.881	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)NNc1ncccn1	277107925	MUTGCIDSEBZUMC-ZJUUUORDSA-N	309.370	1.469	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Cc1cccc(N2CCCC2=O)c1	278875859	VUMQYGPARATQDJ-UHFFFAOYSA-N	317.389	1.549	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(F)cc1Br	271359492	MYEXAXYKVYNAFB-UHFFFAOYSA-N	318.146	1.894	50	20	DDGD	
CCOC(=O)c1cnc(C)c(C(=O)NNC(=O)C2CCC2)c1	270969714	CJFBKUSAHZJZGN-UHFFFAOYSA-N	305.334	1.128	50	20	DDGD	
O=C(CN1CCC(C2CC2)CC1)NNC(=O)c1ccc(F)cc1	366435549	LRWBEHOYHJAMNF-UHFFFAOYSA-N	319.380	1.709	50	20	DDGD	
CC1(CNC(=O)NNc2nc3ccccn3n2)CCOCC1	276865707	KPPWRHOICZQKEM-UHFFFAOYSA-N	304.354	1.172	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2ccc3c(c2)CCCC3)CC1	278746234	WJNWIRASODVKBH-UHFFFAOYSA-N	316.405	1.167	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cccc2cc[nH]c12	276629624	VZNZQYIOAXPIGQ-UHFFFAOYSA-N	319.361	1.718	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)[C@H]1CCCCO1	270714009	PDFDEHHSRYUEBT-LLVKDONJSA-N	310.375	1.201	50	20	DDGD	
CCCc1nnc(S)n1CC(=O)NNc1ncccc1C	276685556	GHMUVDDFXMDECR-UHFFFAOYSA-N	306.395	1.366	50	20	DDGD	
CCN(C)C(=O)CNC(=O)NNc1cccc([N+](=O)[O-])c1C	275063314	XIYRUOJOERUVPR-UHFFFAOYSA-N	309.326	1.008	50	20	DDGD	
CCOC(=O)c1cnc(C)c(C(=O)NNC(=O)C(C)(C)C)c1	271104174	ODPWGERORWFZQI-UHFFFAOYSA-N	307.350	1.374	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)C(=O)Nc1cnc(C)nc1	281976972	MEQCVZNUWWUWDM-UHFFFAOYSA-N	313.361	1.738	50	20	DDGD	
CC(C)C(=O)N1CCC(C(=O)NNc2ncccc2F)CC1	285910156	IBNCUSXAPYWDKM-UHFFFAOYSA-N	308.357	1.558	50	20	DDGD	
C=C(CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)c1ccccc1	288114777	VVOZNBYOKDJHHA-HNNXBMFYSA-N	323.418	1.081	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H](Br)C(C)(C)C	280872163	BTJOVFXONZWVKB-SSDOTTSWSA-N	308.245	1.477	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NNC(=O)c1cccc(C)n1	280594423	BQTDMQIWQZKEIW-JSGCOSHPSA-N	318.377	1.315	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)c1cccc(N(C)C)c1)C(C)C	280978761	BAWZURITPMSATI-AWEZNQCLSA-N	302.378	1.354	50	20	DDGD	
COCCCn1cc(C)c(NC(=O)NNC(=O)C(C)(C)C)n1	296774643	LGQBFMPOOJUUIQ-UHFFFAOYSA-N	311.386	1.427	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2ncc(F)cc2F)C1	297014695	RVSBPAYNCTUKJS-RKDXNWHRSA-N	313.304	1.782	50	20	DDGD	
Cc1cc(F)c(NC(=O)NNC(=O)C2CCC2)cc1[N+](=O)[O-]	296865383	VNFQXAYRCLQMEU-UHFFFAOYSA-N	310.285	1.995	50	20	DDGD	
COCCN(C)NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1	808073671	IWOCPZJWZZNVMM-UHFFFAOYSA-N	308.769	1.953	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1ccc(-c2cnn(C)c2)s1	800795787	VDEJELNBLOKBSW-WUXMJOGZSA-N	322.415	1.904	50	20	DDGD	
Cc1cc(C(=O)NNc2cccc(F)n2)c2c(C)nn(C)c2n1	804769601	OTBLUHZXXIKPTK-UHFFFAOYSA-N	314.324	1.876	50	20	DDGD	
Cn1cncc1C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	809538837	KFDVVTQXAWEAGA-UHFFFAOYSA-N	316.405	1.788	50	20	DDGD	
Cc1cc(N(C)C)ccc1NC(=O)NNC(=O)[C@@H]1CCCCO1	296472604	WSXVKSLIJZLCTL-AWEZNQCLSA-N	320.393	1.783	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cccc3nc(C)[nH]c23)n1	801913768	LXJNUCFWYIFVNC-UHFFFAOYSA-N	312.333	1.735	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)COCc1ccccc1)C1CC1	291679037	LEIUEIIULIKWLS-INIZCTEOSA-N	306.362	1.166	50	20	DDGD	
CCCC[C@@H](C)C(=O)NNC(=O)COc1ccc(C#N)cc1	800315281	WUGQEWAXHRZNAX-GFCCVEGCSA-N	303.362	1.911	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccc(C(C)(C)C)c(Cl)c1	290547339	SGRCRQUUVCEMGE-UHFFFAOYSA-N	311.813	1.960	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H](C)COc1cccc(F)c1	299006129	BFMMTUYFMWCIIM-LLVKDONJSA-N	311.357	1.970	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c2ccccc2n1	292895316	ZZARMKHXPDMYDF-NHYWBVRUSA-N	313.357	1.872	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)C(=O)N2CCC[C@H](C)C2)c1	293952138	OYQTVYMBUOBKSY-NSHDSACASA-N	318.377	1.347	50	20	DDGD	
O=C(CN1CCc2ccccc2C1=O)NNc1cccc(F)n1	804766346	FTIKAESAMDDZJD-UHFFFAOYSA-N	314.320	1.362	50	20	DDGD	
Cc1ccc(OCC(=O)NN=C2CCS(=O)(=O)CC2)cc1C	814721697	QRPXVVDMKWUMOL-UHFFFAOYSA-N	324.402	1.363	50	20	DDGD	
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NNc1cnnn1C	816771531	QOOBWGQIXFUASD-AWEZNQCLSA-N	314.349	1.233	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cccc(C)c1)C[C@@H](C)OC	812907036	PVHLRABADFQRLJ-CYBMUJFWSA-N	307.394	1.113	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc2c(c1)CCCCC2=O	813425864	PARVICFETLYMQK-UHFFFAOYSA-N	303.362	1.950	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CC[C@@H](C(=O)O)C2)cc1	818240111	VVULZPLUSMPCCI-CKXDQPNJSA-N	314.341	1.925	50	20	DDGD	
O=C(NNc1ncncc1F)[C@@H](c1ccccc1)n1cccn1	817070532	IUACXUMEHQSUEN-CYBMUJFWSA-N	312.308	1.545	50	20	DDGD	
Cc1cccc2c1CCC2=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	729142465	UIQCZWMRVXEELJ-LLVKDONJSA-N	321.402	1.132	50	20	DDGD	
CN(NC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccccc1	726979765	LMQSKGNKEIOACY-UHFFFAOYSA-N	308.341	1.456	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)C1(C(F)(F)F)CCC1	822782449	UMUDTFGBSDDPLF-UHFFFAOYSA-N	305.256	1.843	50	20	DDGD	
CCCC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1ccccc1	728436711	IHEDKPVAPTXRMS-NSHDSACASA-N	311.407	1.245	50	20	DDGD	
Cc1c(C(=O)NNc2ccc(F)cc2)nnn1C1CCNCC1	826614145	AJWGCHSAAMQDBT-UHFFFAOYSA-N	318.356	1.407	50	20	DDGD	
CCN(CCO)NC(=O)CCCc1ccc(OC)cc1OC	823870009	VRAHFVQVZMTPER-UHFFFAOYSA-N	310.394	1.372	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCCn2ccnc2)c1	822782550	VMNLUOZVXFBIOJ-UHFFFAOYSA-N	307.379	1.287	50	20	DDGD	
C[C@H]1COCCN1CCNC(=O)/C(C#N)=C/c1ccc(O)cc1	490979077	XLNBYSYWEXVKIB-LERPTODRSA-N	315.373	1.136	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc2c(N(C)C)cccc2s1	823384200	FACIYMDXOWKYEL-JTQLQIEISA-N	307.419	1.925	50	20	DDGD	
N#Cc1ccc(SCC(=O)NNC(=O)c2ccccn2)cc1	728512529	YOHSWRGEQWKYRJ-UHFFFAOYSA-N	312.354	1.507	50	20	DDGD	
CN(Cc1cc(Cl)cn1C)C(=O)/C(C#N)=C\c1cnn(C)c1	491137369	XGMPSOMEBVRTOQ-QCDXTXTGSA-N	317.780	1.978	50	20	DDGD	
CC(C)Oc1ncc(C(=O)NN(C)[C@@H](C)CO)cc1Cl	823970746	KBMNGOUMKZNFOE-VIFPVBQESA-N	301.774	1.480	50	20	DDGD	
CCNC(=O)NNC(=O)[C@](C)(CC)CNC(=O)OC(C)(C)C	493783219	VYGFTMZMLWLTSJ-CQSZACIVSA-N	316.402	1.278	50	20	DDGD	
C[C@H](CBr)CN1CCC[C@@H](c2nnc(O)o2)C1	829438930	UBCDEJQHXPYFPX-RKDXNWHRSA-N	304.188	1.986	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)Cc2cccnc2)CC2(CCC2)O1	825906341	BPMNWRFTJBNQSX-GFCCVEGCSA-N	318.377	1.008	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](C)Oc2ccccn2)n1	826586238	UNTFOJXVPZOTPK-SNVBAGLBSA-N	303.322	1.099	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@@]2(C#N)CC23CCCC3)n1	825987216	HRJYTCYAAUYLEI-HNNXBMFYSA-N	300.366	1.460	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)C[C@@H]1CC[C@@H]2C[C@H]12	825969213	JWAAITWMZZZNPC-ILXRZTDVSA-N	302.374	1.787	50	20	DDGD	
CCC[C@@H]1C[C@@H](c2nc(-c3cccc(B(O)O)c3)no2)CCO1	585052911	APQAMJYCHOHDLU-GXTWGEPZSA-N	316.166	1.479	50	20	DDGD	
CC1(Cc2ccccc2)CN(C(=O)c2ccc(B(O)O)cc2)C1	584980814	LRNZEQQIKDHTAR-UHFFFAOYSA-N	309.174	1.071	50	20	DDGD	
COCc1ccccc1CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	825619639	RQCSTQJWJAESOK-BXUZGUMPSA-N	321.377	1.088	50	20	DDGD	
CCn1cc(C=NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cn1	732527782	JKNQXMTYBCJNOK-LLVKDONJSA-N	304.325	1.960	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(F)cc2nc(C)c(C)nc12	823852329	DHMPVNGJMCDEBJ-UHFFFAOYSA-N	306.341	1.345	50	20	DDGD	
CC(C)(CN1CCOCC1)C(=O)NNC(=O)Nc1ccccc1	822760790	TZUHFHHJCRCUMG-UHFFFAOYSA-N	320.393	1.198	50	20	DDGD	
COC[C@@](C)(CC(=O)O)NC(=O)[C@H](Br)C(C)(C)C	909376932	WIDKSOWFAXGKPB-JOYOIKCWSA-N	324.215	1.792	50	20	DDGD	
O=C(O)[C@H]1C[C@H]1C(=O)NNc1ccc(Br)nc1	739546433	IJENTPFFVYPOCG-RQJHMYQMSA-N	300.112	1.008	50	20	DDGD	
Cc1cc(C)c(C=NNC(=O)NCCNC(=O)OC(C)(C)C)[nH]1	493405241	IXLYZUGBLBWNPN-UHFFFAOYSA-N	323.397	1.789	50	20	DDGD	
COC[C@@H](NCc1ccccc1B(O)O)c1cccc(Cl)c1	585040773	JGXUXJSNQWIEDA-MRXNPFEDSA-N	319.597	1.497	50	20	DDGD	
CN(CCc1cccc(NCc2ccccc2B(O)O)c1)C1CC1	585035667	WOWSMEPZFNFNNT-UHFFFAOYSA-N	324.233	1.615	50	20	DDGD	
C[C@@]1(N)CCCC[C@H]1C(=O)NNc1nc(-c2cccnc2)no1	831890360	GRBCXTQGXWSWMA-XHDPSFHLSA-N	316.365	1.482	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)NC(CF)CF	836530157	SKXWEBWMVYIBHN-UHFFFAOYSA-N	305.712	1.521	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(C(=O)OC)cc1F	905440373	PCFSJGZTVRIYRA-UHFFFAOYSA-N	311.313	1.282	50	20	DDGD	
CC1(C)C[C@H]1CNC(=O)NNC(=O)COc1ccccc1C#N	732892790	IKLRRYWOZSPRGO-LBPRGKRZSA-N	316.361	1.314	50	20	DDGD	
C[C@H](NS(=O)(=O)CCl)c1ccc2c(c1)CCC(=O)N2	830024214	VATHVYUVGILZKL-QMMMGPOBSA-N	302.783	1.748	50	20	DDGD	
CC(C)c1c(C(=O)NCB(O)O)cnn1-c1ccccc1Cl	585061999	BFQOAYYTXYFTGS-UHFFFAOYSA-N	321.573	1.391	50	20	DDGD	
C[C@H]1CCCC[C@@H]1N1CCC(=NNC(=O)C(=O)NC2CC2)CC1	733906766	GIKBIEWXICQWHF-WFASDCNBSA-N	320.437	1.412	50	20	DDGD	
O=C(NNc1cccc(Br)c1)[C@@H]1C[C@H]1[N+](=O)[O-]	839496812	BFYYAFBINQWQAU-RKDXNWHRSA-N	300.112	1.557	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@@H]1CCc2n[nH]cc2C1	838520803	PTFFJFPGCOMYEC-SECBINFHSA-N	308.292	1.267	50	20	DDGD	
C#CCOc1ccccc1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	831695258	RVSITYQQJJMXTA-NEPJUHHUSA-N	317.345	1.276	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1cccc(CN2CCCCC2)c1	839768459	BNWTYWAVPPNLHW-UHFFFAOYSA-N	300.366	1.548	50	20	DDGD	
Cc1ccc([C@H](C)[C@H](O)C(=O)NNC(=O)[C@@H]2CCCCO2)cc1	833778960	LPMSLQZRJQTITK-QEJZJMRPSA-N	320.389	1.176	50	20	DDGD	
CCC(CC)[C@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1	584949665	NXVOJFWAJLIJEZ-LBPRGKRZSA-N	307.174	1.404	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc2ccn(C)c2c1	831495747	DGQVVGXSODETJJ-MFKMUULPSA-N	316.361	1.756	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2ccc(N3CCOCC3)cc2)cn1	735411973	FNJCLLHAWUYGIE-UHFFFAOYSA-N	313.361	1.021	50	20	DDGD	
Cc1nc(C)c(C=NNC(=O)Cc2cc(O)nc(S)n2)s1	736429782	GLWDTJOPKVYIEQ-UHFFFAOYSA-N	323.403	1.237	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCSCC2)C1	584997184	XRGREALDSNNJFY-UHFFFAOYSA-N	319.235	1.116	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C1CN(C(=O)C2CCCCC2)C1	836782002	UIVCIWDMGHYOFZ-UHFFFAOYSA-N	320.368	1.703	50	20	DDGD	
CC[C@H](NCc1ccccc1B(O)O)[C@@H](O)c1ccccc1F	585027370	RFWQURWGPXDSAE-IRXDYDNUSA-N	317.169	1.107	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCc2cc(C)[nH]n2)cc1	738483571	XWQAKXLFMSTEFN-UHFFFAOYSA-N	301.350	1.425	50	20	DDGD	
CC(C)N(CCNC(=O)NNC(=O)[C@H]1CCCCO1)C(C)C	837335689	YSMVONJLOMRFLQ-CYBMUJFWSA-N	314.430	1.005	50	20	DDGD	
Cc1nnc(NNC(=O)c2ccccc2OC(C)C)nc1O	730031796	HTMCIRFLFMQUFD-UHFFFAOYSA-N	303.322	1.430	50	20	DDGD	
COc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)[C@H]1CCCCO1	839780599	BYBPWKRWVMHFLU-GZBFAFLISA-N	318.373	1.515	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc(F)cc1)CC(C)(C)C	839605359	VFKFAGNDMIVXLM-UHFFFAOYSA-N	309.385	1.955	50	20	DDGD	
O=C(NN=C1CCN(Cc2ccccn2)CC1)[C@H]1CCCCO1	834989984	WTTWGQANBQGNQP-MRXNPFEDSA-N	316.405	1.719	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNc2c(C)cccc2Cl)c(=O)n1	836934257	REGFPXKCXWOYEG-UHFFFAOYSA-N	320.780	1.965	50	20	DDGD	
CCOC1CC(C(=O)NNc2cccc(C(=O)OC)c2F)C1	837061465	HVYZOOHEHKIDMA-UHFFFAOYSA-N	310.325	1.871	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@@H](Oc1ccccc1)C(=O)OC	918144693	QPAJMPXDFKCINE-GCZGRYASSA-N	318.329	1.167	50	20	DDGD	
CN(C)c1nccc(NNC(=O)Nc2ccc([N+](=O)[O-])cc2)n1	740016697	UIKZARLEDKSLDG-UHFFFAOYSA-N	317.309	1.599	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1C(=O)Nc2c(C)cccc21	916355354	IABDMYOPECFVPI-UHFFFAOYSA-N	302.378	1.499	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1occc1Br	842556050	RTZDIPBNSOMFDI-HTQZYQBOSA-N	301.140	1.917	50	20	DDGD	
COc1ccnc(NNC(=O)COC[C@H](C)c2ccccc2)n1	845182508	QZRXRIJRIZEDLJ-LBPRGKRZSA-N	316.361	1.749	50	20	DDGD	
O=C(NNc1ncccc1F)C1CCN([C@H]2CCSC2)CC1	848061669	BRDPTASXKOOPPH-LBPRGKRZSA-N	324.425	1.881	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CS[C@H](C)C2)c1	840421782	ZOCGIEKYFPHFGT-BXKDBHETSA-N	309.391	1.993	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	842562964	ZZPDBQWRQAABGL-LDYMZIIASA-N	322.277	1.378	50	20	DDGD	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NNC(=O)c1ncccn1	841350896	UUPYYEOAAWTNBU-UPJWGTAASA-N	320.393	1.612	50	20	DDGD	
C[C@H](COCC(=O)NNC(=O)CC(F)(F)F)c1ccccc1	846633257	YQUOJCUHVRCMNI-SNVBAGLBSA-N	318.295	1.907	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCc2ccn(C)c2)c1	747956704	XYXJPHCNIPJKAQ-UHFFFAOYSA-N	315.377	1.235	50	20	DDGD	
Cc1cc(O[C@H](C)C(=O)NN(C)C[C@H](C)O)ccc1Cl	910171477	YIGXXSWQQHSIFL-WDEREUQCSA-N	300.786	1.760	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCCc2ccc(OC)cc21	748252958	JIXAFOIYVKXRDZ-LBPRGKRZSA-N	320.389	1.903	50	20	DDGD	
Cc1cnn(CC(=O)NNC(=O)c2cc(Cl)ccc2O)c1	740922356	XIPIRMWTHIPJQU-UHFFFAOYSA-N	308.725	1.012	50	20	DDGD	
CO[C@H](C=NNC(=O)c1c[nH]c2ccccc12)[C@H]1CCOC1	841603761	FAAIYAKFNMKJEL-XHDPSFHLSA-N	301.346	1.935	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1)c1ccccn1	916371691	LHXGWZAUCYDZNW-MCIONIFRSA-N	318.421	1.667	50	20	DDGD	
CN(C)c1ccc(C=NNC(=O)Cc2ccncc2)cc1F	747640713	HIEDJWRCZYOHMK-UHFFFAOYSA-N	300.337	1.980	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)[C@H]1CC12CCOCC2	748845262	AVNMRTICSYNLKZ-LLVKDONJSA-N	315.333	1.391	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H]1CCc2cncn2C1	847115809	MDDKVUHWBVNKRW-LBPRGKRZSA-N	313.361	1.607	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)C1	843842343	OVSGPZGYGGMVHI-MRVPVSSYSA-N	318.358	1.268	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@H]2CCN(C(C)C)C2)n1	746756459	WMUBATOTSROEHK-GFCCVEGCSA-N	322.413	1.150	50	20	DDGD	
CCCC(C)(C)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	846640141	WGVLGBNKOPPTID-UHFFFAOYSA-N	315.414	1.875	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCOc2ncccc21	866917289	KUWNWINOKBODIO-UHFFFAOYSA-N	304.799	1.875	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(C(C)(C)C#N)cc1	843656348	PGDYPJQTWKDHHS-FZMZJTMJSA-N	315.373	1.674	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H](C)c2cnn(C)c2)c1	749864760	QHATYXNMRRDJLJ-LBPRGKRZSA-N	316.361	1.058	50	20	DDGD	
C[C@@H]1CCCc2ncc(C(=O)NNc3nccnc3Cl)n21	846634706	FQMMEPVVHSMYMF-MRVPVSSYSA-N	306.757	1.981	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NC[C@H](N)C(C)C)cc1	841944988	SFQFUDWYEWBOKC-LBPRGKRZSA-N	309.370	1.014	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2CCOc3c(F)cccc32)n1	921256950	GUANREBQIZVMDR-UHFFFAOYSA-N	316.336	1.942	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=O)CC(F)(F)F)C1	857850951	CSYJDCVIIABNNQ-XPUUQOCRSA-N	304.272	1.175	50	20	DDGD	
C[C@@H]1CN(C2CC2)CC1=NNC(=O)COc1ccc(F)cc1	755887481	KPQHUPLVVIZBDB-LLVKDONJSA-N	305.353	1.791	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@]1(C)CCOC1	754345859	KKZDZMPJVJMQCT-CQSZACIVSA-N	312.753	1.536	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C[C@@H]1CCCO[C@H]1c1cnn(C)c1	853369125	UDMDKDIPZZBWQM-NZBPQXDJSA-N	320.393	1.415	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2n[nH]cc2C1)c1cccc(Cl)n1	857323616	SRTZPNRCLSMLTA-QMMMGPOBSA-N	319.752	1.024	50	20	DDGD	
Cc1cc[nH]c1C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855832455	CURSNOAUJNBTKC-UHFFFAOYSA-N	308.382	1.027	50	20	DDGD	
CCn1c(NNC(=O)C[C@H](C)COC)nc2ccccc2c1=O	755114372	YEUYPWKBXJJPEF-NSHDSACASA-N	318.377	1.532	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNC(=O)NCC2CC2)cc1OC	920862152	WCNKQUAASNJCBQ-VURMDHGXSA-N	319.361	1.457	50	20	DDGD	
C[C@]1(CNC(=O)N2C[C@H]3CC[C@H]2[C@@H](N)C3)C[C@@H]1Br	857105545	NFZRLLPAOZLALG-CCJOIDDDSA-N	316.243	1.681	50	20	DDGD	
CCCn1nccc1C(=O)NNc1ccc(C(=O)OC)cc1F	854898768	BLFWWEJQAKUCEN-UHFFFAOYSA-N	320.324	1.976	50	20	DDGD	
CCC[C@@H](O)CC(=O)NNC(=O)c1ccc2ccccc2n1	750035318	DFGUIRKWUGHQBQ-GFCCVEGCSA-N	301.346	1.547	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(-n2cccn2)cc1	920829571	IHFRJPNZLQNDAD-UHFFFAOYSA-N	301.350	1.542	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H](C)CN2CCC(C)CC2)n1	852601636	LIKOOBQPKOADGK-ZDUSSCGKSA-N	321.425	1.837	50	20	DDGD	
O=C1NCC2(CCN(C[C@H](CBr)C3CC3)CC2)O1	859268836	HASLEPDGQQPWQX-NSHDSACASA-N	317.227	1.982	50	20	DDGD	
C[C@H](O)[C@@H]1CCN(C(=O)NC[C@@]2(C)C[C@H]2Br)C1	856953589	SEZXGHCYEOMBGY-BTQIBKBOSA-N	305.216	1.572	50	20	DDGD	
CC(C)(C)[C@H](NC(N)=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	857387906	OEWZKQRFULJIQA-JOAULVNJSA-N	320.231	1.359	50	20	DDGD	
O=C(Cc1ccccc1F)NN=C1C(=O)Nc2c(F)cccc21	753959191	FNVBCSSYDUJWIU-UHFFFAOYSA-N	315.279	1.980	50	20	DDGD	
CC(C)COc1ccc(C(=O)NNC(=O)c2ccnnc2)cc1	756743036	YAVNCZOHEUWZCC-UHFFFAOYSA-N	314.345	1.586	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1csc(C)c1C	854283969	RNWPFDZJZCUKAN-UHFFFAOYSA-N	315.464	1.853	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1cnc2c(c1)COCC2	757928540	INTGFPIXIQMYQF-UHFFFAOYSA-N	318.255	1.259	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1cccnc1N1CCCC1	852473614	CLNZZPACZHRJJD-UHFFFAOYSA-N	319.409	1.558	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NNc1ncccn1	858318843	UGTHHQILAHWDPN-JTQLQIEISA-N	309.370	1.565	50	20	DDGD	
C[C@]1(CNC(=O)C[C@H]2CCCC(=O)N2)C[C@@H]1Br	857388453	SKNXRCGSGARTEW-VDDIYKPWSA-N	303.200	1.335	50	20	DDGD	
O=C(CNC(=O)C1CCCCC1)NNc1ncc(Cl)cn1	857355709	KBSANOHRLNDHPY-UHFFFAOYSA-N	311.773	1.270	50	20	DDGD	
COc1ccccc1[C@@H](CO)NC(=O)NNC(=O)C1CCCC1	753355379	PMKGXUBBQMWJBL-CYBMUJFWSA-N	321.377	1.249	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855834097	YIFDKJCFNOWHEU-UHFFFAOYSA-N	322.409	1.037	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1	759081500	LGEFCJSTUBGPNO-UHFFFAOYSA-N	305.334	1.683	50	20	DDGD	
CC(C)Cn1ncc2cc(C(=O)NNc3ccncn3)cnc21	857520834	PSBQTPXFWLYSQL-UHFFFAOYSA-N	311.349	1.634	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2nc(C3CC3)n[nH]2)cc1F	854098722	FCYVGXGBZUFTCX-UHFFFAOYSA-N	304.329	1.956	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCn2cncc2C1)c1ccccc1F	750828177	LWQQWWUURJLUEM-SNVBAGLBSA-N	302.309	1.046	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccsc1C(F)F	930733329	OKDWWLYUTWFWPX-UHFFFAOYSA-N	307.322	1.666	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCCc2nc(C)no2)c1	858180835	KFYZPWKJHAWFNC-UHFFFAOYSA-N	323.378	1.325	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)OC(C)(C)C)n(C2CCOCC2)n1	858111039	QMZMOBLXVMJIPQ-UHFFFAOYSA-N	324.381	1.713	50	20	DDGD	
Cn1c(C(=O)NC[C@@]2(C)C[C@H]2Br)ccc1[N+](=O)[O-]	857400510	BXENVQRHLFEJKB-LDYMZIIASA-N	316.155	1.837	50	20	DDGD	
O=C(CCc1ccoc1)NNC(=O)COc1ccccc1O	753297490	IXQKNTCCGRZTCJ-UHFFFAOYSA-N	304.302	1.144	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(COCCOC)cc1	861568495	UKCBNYNYQSDTSD-UHFFFAOYSA-N	311.338	1.632	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H](C)OCc2ccncc2)n1	864691006	VIYUIFCDYPEISN-GFCCVEGCSA-N	301.350	1.537	50	20	DDGD	
Cc1ccccc1C[C@H](C)C(=O)NNc1ncnc2[nH]cnc12	863881544	RZQXIDMLGXLQNV-NSHDSACASA-N	310.361	1.983	50	20	DDGD	
Cc1cccc2sc(NNC(=O)NCC[S@](C)=O)nc12	868266222	PLCRNFUYXMTUIF-FQEVSTJZSA-N	312.420	1.609	50	20	DDGD	
O=C(C[C@H]1CC(=O)NC1=O)NNc1c(Cl)cccc1Cl	934810806	GQVPBLFYUYCBCO-ZCFIWIBFSA-N	316.144	1.489	50	20	DDGD	
CN(C)[C@@H](CC(=O)NNC(=O)c1ccccn1)c1ccccc1	763877371	YQJDZDWZYXZACF-HNNXBMFYSA-N	312.373	1.536	50	20	DDGD	
CC(=NNC(=O)C(N)=O)c1ccc(Br)cc1Cl	763340579	YHGAQAZKBWBFKL-UHFFFAOYSA-N	318.558	1.428	50	20	DDGD	
CCc1ncc(S(=O)(=O)NNC(=O)CC(C)(C)C)s1	763375010	SYLHNAGWOLWMOI-UHFFFAOYSA-N	305.425	1.451	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc2c(c1)CCC(=O)N2	764464645	PUNXRQGKMJDRCA-UHFFFAOYSA-N	313.317	1.127	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)C1CSC1	864662309	AMHLIZYIAYCYRF-UHFFFAOYSA-N	301.462	1.149	50	20	DDGD	
COc1ccc(NCc2ccc(B(O)O)cc2)c2cccnc12	864025971	SPMBVKJRZPYGSE-UHFFFAOYSA-N	308.146	1.535	50	20	DDGD	
CN1CCO[C@@H](C(=O)NNc2nc3ccccc3[nH]c2=S)C1	862293664	LSKBTUKQIPCEBV-LLVKDONJSA-N	319.390	1.066	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1CCC(=O)[C@H](C)C1	763997135	JXJBFFGQRYURML-DGCLKSJQSA-N	318.373	1.390	50	20	DDGD	
Cc1cccc(NNC(=O)CNC(=O)NC2CCCCC2)n1	862523529	HROHAWSGZZKENV-UHFFFAOYSA-N	305.382	1.465	50	20	DDGD	
Cc1ccc(CO[C@@H](C)C(=O)NNC(=O)c2cn[nH]c2)cc1	862467376	SQCIIVQWIUIOKB-NSHDSACASA-N	302.334	1.084	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(C)ccc1C	863078203	SRZNPYYGOXEDGM-ZDUSSCGKSA-N	322.430	1.968	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1conc1CC	863852041	ZATKLYVWCAQKES-UHFFFAOYSA-N	317.345	1.639	50	20	DDGD	
COC(=O)c1coc(/C=C/C(=O)NNC(=O)CC(F)(F)F)c1	869021306	SHYYFHZVISFABU-NSCUHMNNSA-N	320.223	1.179	50	20	DDGD	
NC(=O)c1csc(C(=O)NNc2ncnc3ccsc23)c1	766680216	HJJRDEUIUDEIMW-UHFFFAOYSA-N	319.371	1.609	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H]2CCC(=O)N2)ccc1Br	863149440	ZVOARPOPTRUDJH-LLVKDONJSA-N	324.178	1.486	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)n1	862524480	LTQXVYDRKYWFLA-IINYFYTJSA-N	306.391	1.287	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CCCn2cccn2)c1	873774737	UQQLQTUBDCBPSR-UHFFFAOYSA-N	317.418	1.990	50	20	DDGD	
COCCN(C)NC(=O)Nc1nnc(-c2ccccc2)s1	878024886	PREXDBJIFJYJIO-UHFFFAOYSA-N	307.379	1.820	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C2(OC)CCCC2)c1	874951314	CDTSXHSYJZSTSJ-UHFFFAOYSA-N	317.414	1.945	50	20	DDGD	
C=CC(C)(C)CC(=O)NNC(=O)CNc1ccc(OC)cc1	878037985	WHYUQXBAIKTQNM-UHFFFAOYSA-N	305.378	1.857	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCC(Cc2cccnc2)CC1	771459165	BWIOAYJOLHBFKQ-CYBMUJFWSA-N	318.421	1.282	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2CCCNC2=O)cc1C	873762155	QJWFTFONAJIRGV-GFCCVEGCSA-N	320.418	1.147	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)NCCC1CCC1	778697876	GHMXZTJFRBOEKA-UHFFFAOYSA-N	314.386	1.032	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)Nc1ccn(CCC#N)n1	770491777	DIOVDLGXXOJAGY-UHFFFAOYSA-N	314.353	1.859	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNc2cnc3ccccc3n2)c(O)n1	774780213	WQPQGJJCAPBKGF-UHFFFAOYSA-N	324.344	1.428	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc2ccn(C)c(=O)c2c1	879519914	AXZXSYHGVJDBIK-UHFFFAOYSA-N	304.350	1.153	50	20	DDGD	
Cc1ccc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)c(O)c1	771846179	PIXMRMZSZJQPBO-LLVKDONJSA-N	322.361	1.439	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2c[nH]cc(Cl)c2=O)cc1	1116929821	AAHWYIKCKTXXGI-UHFFFAOYSA-N	321.720	1.112	50	20	DDGD	
CCCN(C)CC(=O)NNC(=S)Nc1cccc(Cl)c1	873784445	DDTBIMVZZIDWKI-UHFFFAOYSA-N	314.842	1.999	50	20	DDGD	
O=S(=O)(CBr)NCC1CCN(C2CC2)CC1	770427328	MLUHMFNEXYRMMV-UHFFFAOYSA-N	311.245	1.133	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Nc2ccnc(C)n2)c1	776493186	GOKWZTQXXAIXNK-UHFFFAOYSA-N	301.306	1.720	50	20	DDGD	
CN(NC(=O)c1cc(Br)cc2cccnc12)C(N)=O	778416085	ZFRZXRCRVNXQCW-UHFFFAOYSA-N	323.150	1.653	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCC(=O)c1ccc(C)cc1	887139199	FPOMVIWPDIWDRU-UHFFFAOYSA-N	300.358	1.909	50	20	DDGD	
O=C(NCc1ccco1)NN=C1CCOC2(CCOCC2)C1	884422873	HZDWKHHMENKABW-UHFFFAOYSA-N	307.350	1.794	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1cc(F)ccc1F)C(C)C	885144592	GIGMBOQMHFNQOR-NSHDSACASA-N	301.293	1.789	50	20	DDGD	
CNS(=O)(=O)C1CCN(C[C@@H](C)CBr)CC1	770653276	OJFHCQPXQYHNPO-VIFPVBQESA-N	313.261	1.031	50	20	DDGD	
Cc1ccc(C[C@H](C)C(=O)NNC(=O)N2CCN(C)CC2)cc1	773673513	PDPZTFFXXQPOJB-AWEZNQCLSA-N	318.421	1.162	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1nc(Br)ccc1C	887147982	JVHRLKUHNUMFMZ-UHFFFAOYSA-N	324.178	1.717	50	20	DDGD	
CCC[C@@H](C)[C@H]1CCCN1C(=O)NNC(=O)c1cccnn1	883850724	CYFXBPXGCBPWIV-DGCLKSJQSA-N	305.382	1.732	50	20	DDGD	
CCN(CC)S(=O)(=O)CC(=O)NNc1cc(F)ccc1F	885144424	CRAQDORLWXZDIM-UHFFFAOYSA-N	321.349	1.080	50	20	DDGD	
C[C@H](Cc1ccccc1F)C(=O)NNC(=O)C1CCOCC1	883063808	DBRQUXJAGQHBKJ-LLVKDONJSA-N	308.353	1.578	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1c(C)nsc1NC1CC1	887149093	IZHPVSJBOXRKRI-UHFFFAOYSA-N	306.391	1.590	50	20	DDGD	
COc1cccc(NNC(=O)Nc2ccc(OC)nc2C)n1	780591565	ULPPEPQTRXGHJZ-UHFFFAOYSA-N	303.322	1.951	50	20	DDGD	
CCCc1ccc(NC(=O)C(=O)NNc2ncc(F)cn2)cc1	784949507	MBHLFPZAYDXTFH-UHFFFAOYSA-N	317.324	1.650	50	20	DDGD	
CC(C)(NC(N)=O)c1cn(/C(Cl)=C\CBr)nn1	881310336	HSKUWEZFAVVXJH-CLTKARDFSA-N	322.594	1.614	50	20	DDGD	
CC1(C)OCC(C)(C(=O)NNc2ncncc2Cl)CO1	781830688	YJNUVWFJLFMMDC-UHFFFAOYSA-N	300.746	1.362	50	20	DDGD	
C[C@@]1(NCC(=O)NNC(=O)c2cccs2)CCO[C@H]1C1CC1	784592545	HRTTYWOFLAMFOI-DZGCQCFKSA-N	323.418	1.056	50	20	DDGD	
O=C(Cc1ccc(Cl)cn1)NNC(=O)c1ccccc1F	785681553	CEINPFSFAOFIHR-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N(C)C)c(OCC(C)C)c1	789748264	PQEWWRTUKWVWDM-UHFFFAOYSA-N	309.366	1.646	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2C[C@@H](C(C)=O)C2(C)C)nc1	780964569	CFXKNGGTJSXPLT-NWDGAFQWSA-N	319.361	1.563	50	20	DDGD	
O=C(NN=Cc1c[nH]nc1-c1ccc2c(c1)OCO2)C(F)F	782238916	XREKPTLESADSFX-UHFFFAOYSA-N	308.244	1.521	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(-c2ccc(F)cc2F)nn1C	788709796	KBIAQSCBZDWLAD-UHFFFAOYSA-N	323.303	1.928	50	20	DDGD	
CCC[C@H](CCCS(C)(=O)=O)C(=O)NNC(=O)C(C)C	789868319	DALDYWPBCAZCFL-LLVKDONJSA-N	306.428	1.031	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)/C=C/c1ccc[nH]1	783675949	HDTWYINEVAUPGR-CMDGGOBGSA-N	305.359	1.575	50	20	DDGD	
CCn1cc(CC(=O)NNc2nc(-c3ccccc3)no2)cn1	780651057	KKSGRWCELQMQLV-UHFFFAOYSA-N	312.333	1.639	50	20	DDGD	
C[C@H](CN1CCCCCC1)C(=O)NN=Cc1cnc(N)nc1	781584816	AIICWIOINKVIOJ-GFCCVEGCSA-N	304.398	1.021	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cc(-c2ccccn2)no1	791259489	SJRCQLZQDRDNQI-UHFFFAOYSA-N	321.300	1.536	50	20	DDGD	
CNC(=O)NNC(=O)c1cccc(C(=O)Nc2ccccc2)c1	795527037	ISOJOYXGODBXND-UHFFFAOYSA-N	312.329	1.513	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C(C)(C)C(F)F)c1	791457467	BCUVGDUBWDLEBY-UHFFFAOYSA-N	316.304	1.756	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cccc2nc[nH]c12	792797376	AZFSNZRIQRULAN-UHFFFAOYSA-N	324.340	1.575	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1ccc2nn[nH]c2c1	791070450	LJSKJCKEZADWAH-UHFFFAOYSA-N	316.252	1.762	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53)NC1CCCC1	793255072	NXPSIPWPXBLWJK-HAJSXZOYSA-N	315.417	1.653	50	20	DDGD	
C=C(CBr)COC(=O)[C@@H](C)NC(=O)c1ccoc1	795452959	WERWNKOVOVSLAH-SECBINFHSA-N	316.151	1.892	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1ccc2c(c1)OCC(=O)N2	794903945	VCQFKUJLVLWDRB-UHFFFAOYSA-N	320.349	1.077	50	20	DDGD	
COC(=O)C(=O)NNC(=S)Nc1ccc2ccccc2c1	1319346992	VRLLJTQVPJHHIB-UHFFFAOYSA-N	303.343	1.330	50	20	DDGD	
CCCc1[nH]ccc1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1325782131	FNAQNWHEJRNHEN-UHFFFAOYSA-N	315.377	1.644	50	20	DDGD	
CNC(=O)[C@@H]1CCCN(C[C@@H](CBr)C2CC2)C1	701842150	BHLQNHCIEKLNEO-VXGBXAGGSA-N	303.244	1.866	50	20	DDGD	
CC[C@](O)(C(=O)NNc1ccn(C)n1)c1cccc(Cl)c1	1327550038	CMUSTOMRABVLBZ-CQSZACIVSA-N	308.769	1.814	50	20	DDGD	
CCC(=NNC(=O)C(=O)OC)c1ccc(OC(F)(F)F)cc1	1321819965	ZOBPKSIUUSKSGL-UHFFFAOYSA-N	318.251	1.989	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H](O)C2CCCCC2)cc1	1320878026	UHKORLNGBUGWQC-AWEZNQCLSA-N	306.362	1.397	50	20	DDGD	
O=C(NNc1ccccc1F)C(=O)Nc1noc2c1CCCC2	1336665725	QGLNDHULZNCBFP-UHFFFAOYSA-N	318.308	1.774	50	20	DDGD	
C[C@@H]1Nc2ccnn2[C@@H](C)[C@H]1CCC(=O)NNc1cccnn1	1263774920	OFEFZNTXUSFPHW-SRVKXCTJSA-N	315.381	1.588	50	20	DDGD	
C[C@@]1(NC(=O)NNc2cc(F)c(F)cc2F)CCOC1=O	1348578480	ZEGPINNKWOFTCD-GFCCVEGCSA-N	303.240	1.436	50	20	DDGD	
O=C(Cc1c[nH]c2cnccc12)NN=c1cc[nH]cc1Cl	1347699397	UGRYIDBYHUCFSL-UHFFFAOYSA-N	301.737	1.719	50	20	DDGD	
CN(C)c1cc(F)c(C=NNC(=O)C2CCOCC2)cc1F	1353090013	TWKHOGGPXHCRSS-UHFFFAOYSA-N	311.332	1.908	50	20	DDGD	
O=C(CO[C@@H]1CCOC1)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1601336876	FNIONERXZHKRDW-SECBINFHSA-N	311.246	1.004	50	20	DDGD	
CCOCCOCC(=O)NNc1ccc(C(=O)O)c(Cl)c1	1605638033	DNRBHBJPMCTQOE-UHFFFAOYSA-N	316.741	1.534	50	20	DDGD	
N#C/C(=C\c1ccc(-c2nn[nH]n2)s1)C(=O)C1CCOCC1	1606336407	ZZTNCLYIABTRFI-JXMROGBWSA-N	315.358	1.831	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cnc3c[nH]nc3c2)c(F)c1	1608904622	AMMPGVQJGSKYLZ-UHFFFAOYSA-N	315.264	1.552	50	20	DDGD	
CC[C@@](COC)(NC(=O)[C@@H](Br)C(C)(C)C)C(=O)O	1605047192	HIQNLZZFMNEMNM-PELKAZGASA-N	324.215	1.792	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)[C@@H]2CCN2C2CCCC2)cc1	1608780562	PHCJZZMQUAJKCQ-HNNXBMFYSA-N	317.389	1.774	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNc1ccc(C(=O)O)cn1	1604859480	HFBQCQDUDHFMPO-LLVKDONJSA-N	320.349	1.014	50	20	DDGD	
CO[C@@H]1CCCC[C@H]1NC(=O)NNc1ccc(CC(=O)O)cc1	1606997885	PSUNARMHMJJJCI-ZIAGYGMSSA-N	321.377	1.897	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccccc2CCC(=O)O)o1	1600341252	VIMPCHWGPFXIRX-UHFFFAOYSA-N	316.313	1.680	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@@H](C(=O)O)[C@H]1C	1608009791	ZQQVIRSJINWQQV-MWLCHTKSSA-N	313.785	1.674	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)s1)[C@@H]1CN2CCC[C@H]2CO1	1549316282	FMAMQHUUUGXKKV-ONGXEEELSA-N	313.810	1.715	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@@H]1C=NNC(=O)[C@@H]1CCCOC1	1552762256	BRFVBXDNMNZIMT-MGPQQGTHSA-N	320.393	1.509	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1NCCC1(C)C	1576295354	LZNAVYOCBAGRMY-GWCFXTLKSA-N	323.368	1.129	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc(C)c(N)c1	1579016469	JCDPLFCNXGADAD-UHFFFAOYSA-N	310.423	1.065	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@H]2CCc3cc(N)ccc32)cn1	1579958898	LLHJKSOONFATBO-XNWJVHIKSA-N	307.357	1.713	50	20	DDGD	
CNCc1cccc(NC(=O)NNc2cc(C)nc(N)n2)c1	1578740087	AFNCTZGVJPGHJT-UHFFFAOYSA-N	301.354	1.235	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)[C@H](N)C1CCC1	1579314894	ADIDRIQRCFMKNU-CQSZACIVSA-N	323.418	1.062	50	20	DDGD	
NOCCCNC(=O)NNc1cc(Br)ccc1F	1580360121	RSZYZXAUCFBAHJ-UHFFFAOYSA-N	321.150	1.495	50	20	DDGD	
O=C(C(Cl)Cl)N1CC2(CCCN2C(=O)C2CCC2)C1	1842590362	ZAGYKRPLILSSPX-UHFFFAOYSA-N	305.205	1.794	50	20	DDGD	
COCCCC(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843361442	HINWIYLKENRBNT-NSHDSACASA-N	306.765	1.151	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CC	1847489077	OBXIFBRQZCOVFM-ZDEQEGDKSA-N	316.829	1.367	50	20	DDGD	
CCOCC(=O)NN=C(CC)c1cccc(-c2nn[nH]n2)c1	1590799290	XTZQTHIVEIHIIE-UHFFFAOYSA-N	302.338	1.134	50	20	DDGD	
O=C(C(F)F)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846387126	JYHRGDTZZUHMIG-UHFFFAOYSA-N	301.120	1.259	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCCCC[C@@H]1C(=O)O	1590701046	CIZBHFFDFYVBRX-SNVBAGLBSA-N	311.831	1.910	50	20	DDGD	
COc1ccc2nc(C=NNC(=O)NCC(=O)O)sc2c1	1599637078	UHPRIQMMSZJMMC-UHFFFAOYSA-N	308.319	1.023	50	20	DDGD	
CC(C)(C)n1cnc(C(=O)NNc2cccc(C(=O)O)c2)n1	1590603265	WTCQZHKJTVOPMP-UHFFFAOYSA-N	303.322	1.488	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@H]1[C@@H]2CCCO[C@@H]21	1599376573	VQQXHYZXRZCQOM-BIMULSAOSA-N	306.318	1.262	50	20	DDGD	
CCOc1ccc(NNC(=O)Cn2ccc(C(=O)O)n2)cc1	1597125782	IHDDPUWRBHLRLI-UHFFFAOYSA-N	304.306	1.123	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1cccc(O)n1	1599375809	BISHYHDAWARYEX-UHFFFAOYSA-N	303.274	1.251	50	20	DDGD	
Cc1ccc(NNC(=O)c2cc(C(=O)O)nn2C)c(Cl)c1	1594373299	OYWADWFGDGJLCV-UHFFFAOYSA-N	308.725	1.837	50	20	DDGD	
CC[C@@H](C(=O)NNc1cccc(C(=O)O)c1F)N1CCCC1=O	1594737492	VUZRGSZITISOBU-NSHDSACASA-N	323.324	1.368	50	20	DDGD	
COc1cc(C(=O)NNc2ncccc2C(=O)O)ccc1C#N	1594051244	GBIYFGSLCCDHIP-UHFFFAOYSA-N	312.285	1.417	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1sc(Cl)cc1C(=O)O	1776082247	FDLKKVHPYQIHEV-RNFRBKRXSA-N	316.766	1.975	50	20	DDGD	
CCCCC(=O)NN=Cc1cn(C2CCOCC2)nc1C(=O)O	1776036027	WOQXFFVGDNTKML-UHFFFAOYSA-N	322.365	1.573	50	20	DDGD	
CCn1cncc1C=NNC(=O)Nc1ccc(C(=O)O)cc1	1776045530	QSPFFVBWBYFKDJ-UHFFFAOYSA-N	301.306	1.757	50	20	DDGD	
CC(C)(C)OC(=O)N(CCO)N=Cc1ccc(C(=O)O)nc1	1776110741	QOFZAHOQQQHHON-UHFFFAOYSA-N	309.322	1.343	50	20	DDGD	
COc1cc(CCNC=C(C#N)C#N)c([N+](=O)[O-])cc1OC	13143637	ZGHUSMMUQMOFRF-UHFFFAOYSA-N	302.290	1.675	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)c2cccnc2)c1C	160569179	QOMDGTXRENJVGR-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
CCc1ccc(NC(=O)NNC(=O)C(=O)NC(CC)CC)cc1	152903755	XCJYJZXLGYXFAR-UHFFFAOYSA-N	320.393	1.707	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C[C@H](C)c2ccncc2)n1	155788939	XEVOPUNYRNLLCS-JTQLQIEISA-N	301.350	1.826	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H](C)N2CCSCC2)c1	154178713	AYGVLLIXADKHAZ-SNVBAGLBSA-N	313.398	1.715	50	20	DDGD	
CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NNC(=O)c1ccccc1	154374009	YXNGDGZMTRGJOE-UPJWGTAASA-N	303.362	1.444	50	20	DDGD	
O=S(=O)(NCc1cccnn1)c1ccc(CCCl)cc1	236017076	KANQMGVWWUSAAM-UHFFFAOYSA-N	311.794	1.736	50	20	DDGD	
C[C@@H](O)[C@H]1CCN(S(=O)(=O)c2ccc(CCl)cc2)C1	311384704	OJCKLNNJJLLHGQ-PWSUYJOCSA-N	303.811	1.817	50	20	DDGD	
C[C@@H]1CN(CCN(C)NC(=O)OCc2ccccc2)CCO1	859386567	UPPKUHWNNVYXOH-CQSZACIVSA-N	307.394	1.480	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccccn2)ccc1[N+](=O)[O-]	8197844	FYOGRDXQXOQVGI-UHFFFAOYSA-N	300.274	1.373	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cccc(Cl)c1)CC(F)(F)F	112347512	JQGUMOXTSLJDNZ-UHFFFAOYSA-N	323.702	1.595	50	20	DDGD	
CC[C@H](C)N(C)CCNC(=O)NNc1cncc(Cl)n1	171078044	BAOMNOVFSRSPLX-VIFPVBQESA-N	300.794	1.486	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)c2cccc(N(C)C)c2)o1	174434009	QDNSCIPECJIFFT-UHFFFAOYSA-N	302.334	1.432	50	20	DDGD	
CCCC[C@H](NNC(=O)c1ccc[nH]1)C(=O)Nc1cc(C)on1	112518262	VPWMPLZTJNOEPY-LBPRGKRZSA-N	319.365	1.743	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1c(C)nn(CC)c1C	60370864	DZGHMLNWKQWQMW-UVTDQMKNSA-N	304.394	1.970	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NC[C@H]2CCCO2)cc1	55088558	DVMGSXKPBXCDMK-CQSZACIVSA-N	321.377	1.137	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccn(-c3ccccc3)n2)nn1	106334541	VBOOMRZVTGYPCP-UHFFFAOYSA-N	323.360	1.797	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)CNC(=O)CC1CCCCC1	103196839	CRPNJIJKMBARGK-UHFFFAOYSA-N	311.426	1.657	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)NC(=O)C2CCCC2)s1	62526596	BSKGDNUDZIIJHC-SNVBAGLBSA-N	323.418	1.512	50	20	DDGD	
CC1(C)C[C@@H](O)CCN(S(=O)(=O)CBr)C1	306519361	IMAPUMKKKOHDIK-QMMMGPOBSA-N	300.218	1.152	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2c(F)cc(F)cc2F)n1	174471238	OZWVXUYSKFPPGF-UHFFFAOYSA-N	312.251	1.968	50	20	DDGD	
O=C(/C=C/c1ccccc1F)NNC(=O)NCc1ccco1	65177447	GZBMRFCFABSXOK-BQYQJAHWSA-N	303.293	1.963	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)CCC2CCC2)C[C@H](C)O1	175000945	BCPNPPNSEWIOHQ-STQMWFEESA-N	311.426	1.213	50	20	DDGD	
CC(C)C(=O)NNC(=O)CC[C@@H]1Cc2ccccc2NC1=O	23689189	JHMJUSISYOCYMV-GFCCVEGCSA-N	303.362	1.381	50	20	DDGD	
CC[C@@H](NC(=O)NNc1nccc(OC)n1)c1c(C)noc1C	123592196	QNEHKXYAGXPVQB-SNVBAGLBSA-N	320.353	1.867	50	20	DDGD	
CC(C)c1nc2ccc(NC(=O)NNC(=O)CO)cc2s1	184637497	DMBILCIDNNXBFU-UHFFFAOYSA-N	308.363	1.565	50	20	DDGD	
COc1cc(C)ccc1NC(=O)NNC(=O)Cc1cc[nH]n1	184550648	FBVHXMFUVJMFDR-UHFFFAOYSA-N	303.322	1.122	50	20	DDGD	
CC[C@H](C)Oc1cc(CNC(=O)NNc2ncccn2)ccn1	180664755	ZKLUZXXWLYHAGH-NSHDSACASA-N	316.365	1.875	50	20	DDGD	
CCO[C@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2)C12CCC2	74604544	MEEAMAJYBYGXQU-KBPBESRZSA-N	317.389	1.978	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc2nc(C)ccc2o1	180300718	HAFUMKYTMZTIJH-UHFFFAOYSA-N	324.431	1.608	50	20	DDGD	
CN(C)CC(=O)NNC(=O)N[C@H](CC(C)(C)C)C(F)(F)F	128211775	SRKPEVBFSKDZGL-MRVPVSSYSA-N	312.336	1.246	50	20	DDGD	
CCCN(CC)CCNC(=O)NNc1nc2ccccn2n1	189421787	BFPYTIKJCSTBBV-UHFFFAOYSA-N	305.386	1.087	50	20	DDGD	
O=C(NNc1ccccn1)Nc1cnn(CC(F)(F)F)c1	180695212	OMROLANSIKBKKX-UHFFFAOYSA-N	300.244	1.989	50	20	DDGD	
CNS(=O)(=O)[C@@H]1CCCN(/C(=C/C#N)c2ccccc2)C1	79322589	SHSZMHPABPZUHN-UWZYDCLUSA-N	305.403	1.565	50	20	DDGD	
CCOCCC1(C(=O)NNC(=O)c2ccncc2)CCCC1	121619960	VHRHTRHDKUFRIY-UHFFFAOYSA-N	305.378	1.830	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCCc1cccc(C(=O)NC)c1	76935321	AAEOFSYXVGMODU-KAMYIIQDSA-N	301.346	1.149	50	20	DDGD	
CC(C)C[C@H]1CCN(C(=O)NNC(=O)Cc2cccnc2)C1	73148527	ZEKKPKGTBZCELU-CQSZACIVSA-N	304.394	1.733	50	20	DDGD	
CSCCCNC(=O)NNC(=O)c1c[nH]c2ccccc12	132593410	ALQHWZIVAGVWFS-UHFFFAOYSA-N	306.391	1.865	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2Cl)C[C@@H]1C	72870353	BCKNRQWWEVEJKQ-PHIMTYICSA-N	309.797	1.689	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)NCc1ccsc1	46028201	CIULJBHZSBCAFZ-UHFFFAOYSA-N	323.349	1.797	50	20	DDGD	
CSc1ccc([N+](=O)[O-])c(C(=O)NNc2ncccn2)c1	44716765	ADLBJLVASOBKEU-UHFFFAOYSA-N	305.319	1.864	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCn2cc(C)cn2)c(O)c1	80388757	CQFNTJMEDYBFHR-UHFFFAOYSA-N	302.334	1.057	50	20	DDGD	
O=C(Cc1cc(F)c(F)cc1F)NNc1nc2ccccn2n1	191930003	LAZOLIKUVOVGKY-UHFFFAOYSA-N	321.262	1.832	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](NC2CCOCC2)C(C)C)o1	84411077	ZSAPAWCOUYYHHW-CQSZACIVSA-N	323.393	1.142	50	20	DDGD	
CCC[C@@H]1C[C@@H](C(=O)NNc2nc3ccccn3n2)CCO1	191912591	LODKQSFUNSTRKF-NWDGAFQWSA-N	303.366	1.768	50	20	DDGD	
CCCc1cc(NC(=O)C(=O)NNc2cc(C)ccn2)n(C)n1	190044089	YEWIRKXUUFJBSP-UHFFFAOYSA-N	316.365	1.158	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cccn1Cc1cccs1	192919572	PQWPWSWBSGHZSZ-UHFFFAOYSA-N	307.375	1.130	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1snnc1C	194771911	XZYRCYSGGITTLA-UHFFFAOYSA-N	320.374	1.249	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccc(F)cc2C1)c1cccnc1	90067999	QHRSSBGSHNKVQC-LBPRGKRZSA-N	315.304	1.233	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@@H]2COc3ccccc3O2)cc1	256017443	MTFRPHWUSIGJGN-INIZCTEOSA-N	312.325	1.985	50	20	DDGD	
CC(=NNC(=O)NCC1CC1)c1ccc2c(c1)NC(=O)CO2	254763290	KLWNSOZDCOXTQY-UHFFFAOYSA-N	302.334	1.451	50	20	DDGD	
Cc1c(NNC(=O)[C@H](C)CS(C)(=O)=O)cccc1[N+](=O)[O-]	269632560	XSQMJXGLWPKFLT-MRVPVSSYSA-N	315.351	1.027	50	20	DDGD	
Cc1cccc(O[C@@H](C)CNC(=O)NNC(=O)C2CCC2)c1	266635331	XHZFUNPKJQKSDZ-LBPRGKRZSA-N	305.378	1.893	50	20	DDGD	
CCN(CCS(C)(=O)=O)/C(=C/C#N)c1cccc([N+](=O)[O-])c1	269810298	AXFUEMVLGZHBJC-VGOFMYFVSA-N	323.374	1.826	50	20	DDGD	
O=C(Cc1cccc(OC(F)(F)F)c1)NNC(=O)NC1CC1	269616463	LQNGIYOETOSXTF-UHFFFAOYSA-N	317.267	1.621	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cccc(Cl)c1[N+](=O)[O-]	267377785	RNVPOZFELHMMJC-UHFFFAOYSA-N	300.702	1.601	50	20	DDGD	
COc1ccc(CN(C)C(=O)NNC(=O)C(C)(C)C)c(OC)c1	264581619	PUWVHAKPNNXJLT-UHFFFAOYSA-N	323.393	1.923	50	20	DDGD	
CCOc1cc(CNC(=O)NNc2ncccn2)ccc1OC	265161258	SYDZVOOIXQBKED-UHFFFAOYSA-N	317.349	1.710	50	20	DDGD	
O=C(C[C@H]1C(=O)Nc2ccccc21)NNC(=O)Nc1ccccc1	367272843	XXXWWBQJBVDGHK-CYBMUJFWSA-N	324.340	1.965	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cc([C@@H]2CCCO2)nn1C	279023640	PPNUIUBQHDQWFO-ONGXEEELSA-N	309.370	1.470	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F	272403954	KJZNHQLVDUWULA-UHFFFAOYSA-N	318.236	1.112	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)C2CCC2)c1Cl	274088448	MURNKRDYAMNIEV-UHFFFAOYSA-N	309.753	1.534	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)NCCC(C)(C)O)c1	274875493	DVUVGJSZWWAYHQ-UHFFFAOYSA-N	323.393	1.174	50	20	DDGD	
CN(NC(=O)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)C(N)=O	367949625	GUOLYBXTDACNGK-AWEZNQCLSA-N	314.386	1.065	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CCCOC(C)C)c1O	273097794	UYJQAUFQNUHNKW-UHFFFAOYSA-N	310.350	1.367	50	20	DDGD	
Cn1c(=O)n(CCC(=O)N2CC=C(C#N)CC2)c2ccccc21	272700099	UCQGRUXXJLAOSD-UHFFFAOYSA-N	310.357	1.412	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)Nc1cccc(C(F)F)c1	274096950	OFVPIXQDICGKDI-UHFFFAOYSA-N	311.288	1.510	50	20	DDGD	
C[C@@H]1COCC[C@H]1CNC(=O)NNc1nc2ccccn2n1	287830786	KOJWYNKPIZDJCX-MNOVXSKESA-N	304.354	1.028	50	20	DDGD	
CC1(C)CC[C@@H]1NC(=O)NNc1ccc(-n2ccnc2)nn1	287517977	WUZWWDBNYOQMCN-JTQLQIEISA-N	301.354	1.477	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNC(=O)C(C)(C)c1ccccc1	289900495	YHWFFKNOEVLUHE-LBPRGKRZSA-N	320.389	1.701	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(-n2ccnc2)nn1)C(F)(F)F	288638462	OWIPMEUYIMGCOP-SSDOTTSWSA-N	315.259	1.239	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NNc2ncccc2F)C1	285905676	HVUHDAXLDQNZNN-NWDGAFQWSA-N	322.384	1.949	50	20	DDGD	
COC(=O)[C@H](Cc1ccc(C)cc1)NNC(=O)c1ccc[nH]1	280979549	MLQCCRXLVMIDBH-AWEZNQCLSA-N	301.346	1.342	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2ccn(C(C)C)n2)n1	280815077	STEFIHCUSBHSGB-UHFFFAOYSA-N	319.369	1.130	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H](C)CS(C)(=O)=O	288568603	FWURTJSUCRZBJU-VIFPVBQESA-N	315.351	1.027	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1ccc([N+](=O)[O-])cc1C	288867780	XTZXVIZXUCPYRP-UHFFFAOYSA-N	310.310	1.483	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1cnc(Cl)c(Cl)c1	288888067	IHZWYUSKZRPIDE-UHFFFAOYSA-N	314.150	1.280	50	20	DDGD	
CO[C@H](Cc1ccccc1)C(=O)NNC(=O)NCc1ccco1	294818868	WBWRUWVRRLGKLE-CQSZACIVSA-N	317.345	1.368	50	20	DDGD	
O=C(Cc1coc2ccccc12)NNc1ncnc2[nH]cnc12	806893172	QDADXDAGNOWUIP-UHFFFAOYSA-N	308.301	1.785	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)s1	299365380	SUYIVPMQDPOFIJ-UHFFFAOYSA-N	313.379	1.342	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H]1CCCN1C1CC1	805380593	DUBFEHCRJWNQGN-AWEZNQCLSA-N	304.350	1.973	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNC(=O)C2CCCC2)cn1C1CC1	806443495	OUCCDKGKFSCEHP-UHFFFAOYSA-N	303.362	1.443	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2cn(C)nn2)cc1C	291270711	QPYHFHHKCMESGJ-UHFFFAOYSA-N	303.322	1.057	50	20	DDGD	
CC(C)(CCC#N)CNC(=O)NNC(=O)Cc1ccncc1	807591543	AGRHCRWROZQSLL-UHFFFAOYSA-N	303.366	1.284	50	20	DDGD	
COc1ccc2c(c1F)CCC2=NNC(=O)C(=O)N1CCCC1	807968359	ULIXRGHAGPRRDA-UHFFFAOYSA-N	319.336	1.223	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)c1cccc(Cl)c1)C1CC1	296873228	LGKQILDGSQVURE-LBPRGKRZSA-N	311.769	1.709	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)[C@H]1CCCCO1)c1ccccc1	295552625	MBNHQVSHDHELAD-CZUORRHYSA-N	306.362	1.265	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NNC(=O)c1ccccc1F	299583512	CCXSGOKXNMGGPS-TUAOUCFPSA-N	307.369	1.848	50	20	DDGD	
Cc1cc(F)ccc1NC(=O)C(=O)NNc1cccc(F)n1	807392892	NLGMIXHPPZIAGU-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
O=C(Cc1csc(N2CCOCC2)n1)NN=CCCC1CC1	807958982	JWIAUJZMRJJLGI-UHFFFAOYSA-N	322.434	1.814	50	20	DDGD	
CCn1ccnc1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	291411353	GNTWAXBDVPMBSP-SNVBAGLBSA-N	320.324	1.271	50	20	DDGD	
CCS(=O)(=O)CC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	299091800	NQEIRGGAVNQETP-UHFFFAOYSA-N	321.742	1.126	50	20	DDGD	
COC(=O)c1c(F)ccc(NC(=O)NN=c2cc[nH]cc2)c1F	810338547	AWVKVAGMDZHGNJ-UHFFFAOYSA-N	322.271	1.717	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1c(Cl)nc(Cl)n1C	814851920	BASQWKDLUIPKEP-UHFFFAOYSA-N	301.137	1.522	50	20	DDGD	
Cn1cc(C=NNC(=O)N=c2cc[nH]cc2)c(-c2cccnc2)n1	815000722	RBCGMJONOROCMO-UHFFFAOYSA-N	321.344	1.455	50	20	DDGD	
Cc1ccccc1-c1nc(C(=O)NNc2nc[nH]n2)cs1	816631101	GJGUGBPELXNJRR-UHFFFAOYSA-N	300.347	1.994	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)CCN1CCCCCC1	811634946	HFSXBIKAAGAMJS-AWEZNQCLSA-N	308.426	1.413	50	20	DDGD	
COCC(=O)NN=Cc1cn2ccc(Br)cc2n1	811644693	GDTAXQDMZREARS-UHFFFAOYSA-N	311.139	1.193	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)c2ccccc2O)cc1O	816830918	YZQCYBRMXQLDKR-UHFFFAOYSA-N	314.297	1.375	50	20	DDGD	
CO[C@H](CNC(=O)NNc1cccc(Cl)n1)C(F)(F)F	814300676	LKHABDXLRSCDNX-ZCFIWIBFSA-N	312.679	1.938	50	20	DDGD	
Cc1nn2c(=O)c3ccccc3[nH]c2c1C=NNC(=O)CC1CC1	814988673	RISZJPHDOZKHOS-UHFFFAOYSA-N	323.356	1.734	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)c1cccc2cccnc12	812488535	GKIDAJVLSFCMPK-NWDGAFQWSA-N	315.373	1.914	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ncncc2F)c(Cl)c1	815763792	AWBYPFVSNQABPC-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
Cc1nc(C(=O)NNc2nc(-c3ccncc3)no2)c(C)o1	815238238	YCCHYBDVRDTJOX-UHFFFAOYSA-N	300.278	1.493	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cccc2nc[nH]c12	826448716	IAHCSDXDKXSUCJ-UHFFFAOYSA-N	320.316	1.500	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(OCc2ccccc2)ccn1	823953238	ZSPFXOYUVXDZPF-ZDUSSCGKSA-N	315.373	1.618	50	20	DDGD	
O=C(C[C@@H]1CCCCO1)NNc1cccc(-c2nn[nH]n2)c1	826404259	UMRJNVTXHTXDKT-LBPRGKRZSA-N	302.338	1.269	50	20	DDGD	
COC(=O)N(C)NC(=O)C[C@@](O)(c1ccc(C)o1)C(F)(F)F	495626395	PUQVDKVNSDHEPD-LLVKDONJSA-N	324.255	1.457	50	20	DDGD	
COc1ccc(-c2n[nH]cc2C(=O)NN(C)[C@@H](C)CO)cc1	823983543	WNFNEQQHSIGNKN-JTQLQIEISA-N	304.350	1.043	50	20	DDGD	
CC(C)NC(=O)NNC(=O)C[C@@H](n1cccn1)C(F)(F)F	824404495	RDPQNJBCVOHKQD-MRVPVSSYSA-N	307.276	1.115	50	20	DDGD	
O=C(NNC(=O)c1ncccc1O)c1cccc(OC(F)F)c1	728609540	ILFBTSXXOLRXQW-UHFFFAOYSA-N	323.255	1.463	50	20	DDGD	
COC(=O)CCn1nc(C)c(C=NNC(=O)OC(C)(C)C)c1C	491118903	WCKLPVAMFGQJKI-UHFFFAOYSA-N	324.381	1.922	50	20	DDGD	
C[C@]1(C(=O)NCC2(CS(C)(=O)=O)CC2)C[C@H]1Br	906903274	QPCVFHZWKBZUGW-SCZZXKLOSA-N	324.240	1.101	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@@]2(O)CCCC2(C)C)cn1	491044807	DCKKKWLOBYLRHP-DJXGBFBFSA-N	302.378	1.384	50	20	DDGD	
OB(O)c1ccc(CN[C@H](c2cc(F)ccc2F)C2CC2)o1	585027382	RRZQJAJUVPYWBW-HNNXBMFYSA-N	307.105	1.479	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@H](NC(=O)NNC(=O)OC(C)(C)C)C1(C)C	494711178	NKCZAXJPLIQUMU-KXUCPTDWSA-N	301.387	1.785	50	20	DDGD	
COC(=O)c1ccc(C(C)=NNC(=O)c2c[nH]nc2C)c(C)c1	905446984	QEFDCGGCDYTLEJ-UHFFFAOYSA-N	314.345	1.967	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cccnc1	826445859	NRSJQCBKHXSPFX-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cccc(NC(=O)c2ccco2)c1	823971691	YJRDUIPJNFMKEU-NSHDSACASA-N	317.345	1.489	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(C)c(C)cc1C	730576519	RNDREWHIESVDJB-CQSZACIVSA-N	322.430	1.887	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21)c1cccc2cccnc12	906463404	XCTUNKZPFVEGCY-DDTOSNHZSA-N	309.325	1.221	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1	496015818	PWYCJWHIWVHONX-SNVBAGLBSA-N	311.294	1.184	50	20	DDGD	
CCOCC(=O)NN=C1CC[C@H](CNC(=O)OC(C)(C)C)C1	901184690	IDLNFHAPRYZPJJ-NSHDSACASA-N	313.398	1.820	50	20	DDGD	
Cc1cc(NCCNC(=O)[C@@]2(C)C[C@H]2Br)n(C)n1	907916580	QSMWKTMCCFBBAL-SKDRFNHKSA-N	315.215	1.430	50	20	DDGD	
COc1cc(C2(C(=O)NNc3nc[nH]n3)CCC2)ccc1C	839768695	CZJIMLSKNZMRKY-UHFFFAOYSA-N	301.350	1.687	50	20	DDGD	
O=C(NN=Cc1ccc(CO)o1)[C@H]1COc2ccccc2O1	739400055	MDTZAYGQUBOFOJ-CQSZACIVSA-N	302.286	1.062	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2C[C@@]2(F)c2ccccc2)c(F)c1	585048169	KAUZEUMHYFDNQO-JKSUJKDBSA-N	303.117	1.232	50	20	DDGD	
C[C@H](COc1ccccc1)NCc1ccc(B(O)O)cc1F	585022600	SHBQVMXGKYNEPA-GFCCVEGCSA-N	303.142	1.063	50	20	DDGD	
CC1(C)CN(C(=O)c2ccc(B(O)O)c(F)c2)CC(C)(C)C1	584974546	IEUHOQNQBFNCBG-UHFFFAOYSA-N	307.174	1.404	50	20	DDGD	
Cc1ccccc1[C@@H]1CCN(CC(=O)NNC(=O)C2CC2)C1	733194622	DFSLJNRGBPRDGM-CQSZACIVSA-N	301.390	1.342	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C(C)(C)N2CCCCC2)n1	906877040	BBYDAJABSDQSLX-UHFFFAOYSA-N	307.398	1.501	50	20	DDGD	
O=C(N1CC[C@H](B(O)O)C1)C1(c2ccc(F)cc2F)CCC1	585066534	PQOHQDUJTCDSFC-JTQLQIEISA-N	309.121	1.462	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCOC[C@@H]1CC(=O)O	909613779	JKMJUWCBLUIEOU-WPRPVWTQSA-N	322.199	1.498	50	20	DDGD	
CCn1ccnc1C(C)=NNC(=O)Cc1ccccc1OC	834944884	RWIJYRGRHHMPNQ-UHFFFAOYSA-N	300.362	1.995	50	20	DDGD	
CO[C@H]1COCC[C@H]1CNC(=O)NNc1cccc(C#N)c1	838658000	GQXRXVGEVXXKHK-JSGCOSHPSA-N	304.350	1.236	50	20	DDGD	
COCCN(C)NC(=O)CC1(NC(=O)OC(C)(C)C)CCC1	837624329	UIURUADRCWXOOE-UHFFFAOYSA-N	315.414	1.433	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)NC2CC(=O)C2)c1C	908474351	TXCVRLCPQRHNQD-AUWJEWJLSA-N	315.373	1.506	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc(C(=O)O)c(F)c2)n1	832880011	HHKCEYUNLCOTRN-UHFFFAOYSA-N	304.281	1.688	50	20	DDGD	
COc1cc(NCc2ccc(B(O)O)cc2)cc(OC)c1C	585043434	OFJCKQYNOJCMOT-UHFFFAOYSA-N	301.151	1.304	50	20	DDGD	
CC[C@H](NCc1ccc(B(O)O)cc1)c1ccc(F)cc1F	585028125	HZSIBZCZPZBCIE-INIZCTEOSA-N	305.133	1.886	50	20	DDGD	
CC(C)CCn1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n1	831560426	XQQOFQBIQBHORU-NWDGAFQWSA-N	323.397	1.507	50	20	DDGD	
CO[C@@H](CNCc1cccc(B(O)O)c1)c1ccc(Cl)cc1	585027714	YHUWFMCYMUDTQI-INIZCTEOSA-N	319.597	1.497	50	20	DDGD	
CC(C)(C)n1nnc(CNC(=O)[C@@]2(C)C[C@H]2Br)n1	912048023	PERPAADJCATZFY-HQJQHLMTSA-N	316.203	1.218	50	20	DDGD	
CCOc1ccccc1OCCCC(=O)NN(C)C[C@@H](C)O	910177628	NAUPNCIVXFQDCH-CYBMUJFWSA-N	310.394	1.588	50	20	DDGD	
CCC(CC)Oc1ccc(C(=O)NNC(=O)C(C)(C)O)cc1	830691687	ZAZQRKMCMWPQOU-UHFFFAOYSA-N	308.378	1.786	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNc2ccccc2C(=O)OC)CC1=O	839717646	GEOOKZNPDPSMBW-NSHDSACASA-N	319.361	1.175	50	20	DDGD	
O=C(NCCCCCN1CCCC1)NNC(=O)C1CCCC1	836427002	RACGMOWCAIEIAC-UHFFFAOYSA-N	310.442	1.773	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CCC[C@@H]1CC(=O)O	832977131	NBPBUOKYGNESBI-LLVKDONJSA-N	305.334	1.289	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CN(C)c2ccccc2)n1	746631340	XGNIAGSHIKAAPO-UHFFFAOYSA-N	301.350	1.373	50	20	DDGD	
O=C(NN=Cc1csc(Br)c1)N1CCOCC1	745591213	UCQXOXYIJFJPNW-UHFFFAOYSA-N	318.196	1.886	50	20	DDGD	
O=C(NCCc1cccnc1)NNC(=O)c1ccccc1F	916262692	NMHSUESTZSEASX-UHFFFAOYSA-N	302.309	1.407	50	20	DDGD	
COc1ccc([C@H](C)N(C)CC(=O)NNC(=O)C(C)(C)C)cc1	744386510	NMWULCFLEQCIBR-LBPRGKRZSA-N	321.421	1.882	50	20	DDGD	
Cc1ccc(CCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(C)c1	843640089	BBDLGFNBYYJZBO-UKRRQHHQSA-N	304.390	1.808	50	20	DDGD	
CCC[C@H](NC(=O)NNC(=O)c1ncccn1)c1ccccc1	841577007	MIQZUNDDYNVSFR-ZDUSSCGKSA-N	313.361	1.962	50	20	DDGD	
O=C(NCC1=CCNCC1)NNC(=O)Nc1ccc(Cl)cc1	841972825	HGYWSBXKYVYVRO-UHFFFAOYSA-N	323.784	1.595	50	20	DDGD	
CC[S@@](=O)c1ccccc1C(=O)NNC(=O)CC(F)(F)F	918366336	MWYYDYWRJPBSJA-OAQYLSRUSA-N	322.308	1.528	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)C2CCC(O)CC2)c1	843869822	DVGZMGPKWADMFQ-UHFFFAOYSA-N	320.393	1.774	50	20	DDGD	
CC(C)C(=O)NNC(=O)C1(c2ccc(F)cc2)CCOCC1	919972868	VXPNIERZUZUOBU-UHFFFAOYSA-N	308.353	1.677	50	20	DDGD	
Cc1ccccc1OCCCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843643411	MJBKCUDPINLHST-KGLIPLIRSA-N	320.389	1.726	50	20	DDGD	
CCC[C@@H](CC)S(=O)(=O)NNC(=O)c1cccc(Cl)n1	849312649	IQXARBSDWSOLIU-SECBINFHSA-N	319.814	1.878	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1sc(N(C)C)nc1Cl	842558621	SHXCUQBVYLXYOD-YUMQZZPRSA-N	316.814	1.738	50	20	DDGD	
COc1cc(C(=O)NN=Cc2ccnn2C)ccc1OC(C)C	914555712	XISYGNDAUYIWMA-UHFFFAOYSA-N	316.361	1.980	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Nc1nnn(C)c1C)c1ccccc1	841791610	BTAITRVUYSPSNU-GFCCVEGCSA-N	316.365	1.470	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)Cc1cccc(C2CC2)c1	840612224	DMCBLWHXRZWYPK-NSHDSACASA-N	318.373	1.596	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCc1ccn(C)c1	747956713	YIPALKOXTHLORV-UHFFFAOYSA-N	302.334	1.178	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1cccc2c1OCO2	841627891	FVYCWJIABGYBAV-LLVKDONJSA-N	308.334	1.307	50	20	DDGD	
CC(C)OCc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	843647175	NLMDOWBBXILEAC-DOMZBBRYSA-N	320.389	1.798	50	20	DDGD	
Cc1cc(C(=O)NNc2ccncn2)ccc1N1CCOCC1	843898359	GSOYOFSKBQDFNN-UHFFFAOYSA-N	313.361	1.379	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNC(=O)CC(F)(F)F)cn1	918366558	AOGOWYGIJIXXIR-UHFFFAOYSA-N	305.256	1.582	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@H](C)C(=O)OC(C)(C)C	847425988	BFAPTLAMNANIHP-JTQLQIEISA-N	301.387	1.341	50	20	DDGD	
N#Cc1csc(C=NNC(=O)[C@H]2COc3ccccc3O2)c1	748073954	ASHVBMHMCZMNKM-CQSZACIVSA-N	313.338	1.910	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCC1CCNCC1	846209455	DCQVSMXBYISRPH-UHFFFAOYSA-N	320.393	1.029	50	20	DDGD	
NC[C@H]1CC[C@H](CNC(=O)NNc2ncc(F)cc2F)CC1	841993878	BBIQTYIYLYFGBP-MGCOHNPYSA-N	313.352	1.751	50	20	DDGD	
CC1CCN([C@@H](C)CNC(=O)NNC(=O)CC(F)(F)F)CC1	743333871	BUXILMYHVYVCGC-JTQLQIEISA-N	324.347	1.390	50	20	DDGD	
C#CCCOc1ccc(C=NNC(=O)[C@H]2CCO[C@H]2C)cc1	842552795	CLWCLRRAZCLYCB-BBRMVZONSA-N	300.358	1.964	50	20	DDGD	
CC(C)COc1ccc(C(=O)NNC(=O)c2ncccn2)cc1	743282975	VTAMRHVWULGLNB-UHFFFAOYSA-N	314.345	1.586	50	20	DDGD	
CC(C[C@H]1CCCC(=O)N1)=NNC(=O)c1cccc([N+](=O)[O-])c1	841604059	LOWBDYYTVWMVHE-GFCCVEGCSA-N	318.333	1.759	50	20	DDGD	
C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)NNC(=O)c1ncccn1	841579635	OGTOOEYMWVELGV-QWRGUYRKSA-N	305.382	1.635	50	20	DDGD	
N#Cc1cccc(NNC(=O)[C@@H]2CCCN2c2ncccn2)c1	748029630	LFFKBUQZXHLXFQ-AWEZNQCLSA-N	308.345	1.460	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c2c1CCC2	843663319	XVOJPUGXAISBFL-DGCLKSJQSA-N	302.374	1.670	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H](C)[C@@H]2CCCNC2)cccc1[N+](=O)[O-]	841929278	VJYBVMBXTNPWSU-NWDGAFQWSA-N	321.381	1.917	50	20	DDGD	
CC(C)(C#N)C(=O)NNC(=O)CSc1ccccc1[N+](=O)[O-]	844127081	FWGGJUZKKNEQLD-UHFFFAOYSA-N	322.346	1.384	50	20	DDGD	
O=C(N[C@H]1CCCS(=O)(=O)C1)c1cccc(CCl)c1	69142796	RTPDJRPQTWZQRU-LBPRGKRZSA-N	301.795	1.732	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)C1(F)CCCCC1	842255969	GSVCTEBRQXAGSV-UHFFFAOYSA-N	315.370	1.450	50	20	DDGD	
CC[C@H]1CC(=NNC(=O)Cc2cc(O)nc(S)n2)CCO1	756822616	BRFORWQDNAZXQJ-JTQLQIEISA-N	310.379	1.075	50	20	DDGD	
CC1(CC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)CC1	758827980	KAPONXARFXVGPP-UHFFFAOYSA-N	324.764	1.834	50	20	DDGD	
O=C(NN=C1CCCn2nccc21)c1ccc2c(c1)OCCO2	853286462	QSAIBKIUBZXRGT-UHFFFAOYSA-N	312.329	1.582	50	20	DDGD	
CC(Cc1cccc(F)c1)=NNC(=O)[C@@H](C)CN1CCOCC1	759192159	MWCQNYMKHVSRDX-ZDUSSCGKSA-N	321.396	1.829	50	20	DDGD	
CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)c1cc[nH]n1	855357899	UEKALEDZFURBSJ-ZDUSSCGKSA-N	302.334	1.337	50	20	DDGD	
O=C(NCC[C@@H]1C[C@H]2CC[C@H]1C2)NNC(=O)c1cccc(F)n1	852041818	RFZANPCCQBMSET-SDDRHHMPSA-N	320.368	1.991	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1c(C2CC2)nc2sccn12	755611497	MVBXCAKFCUXUJC-UHFFFAOYSA-N	319.390	1.248	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Cc1ccc(CC)cn1	854388682	SINMTIJTXTWDSM-UHFFFAOYSA-N	323.393	1.123	50	20	DDGD	
CCO[C@@H]1COCC[C@@H]1NC(=O)NNC(=O)c1ccccc1C	759212358	XNQUCVHAYJOFPD-UONOGXRCSA-N	321.377	1.133	50	20	DDGD	
C[C@]1(CNC(=O)NO[C@@H]2CCCCO2)C[C@@H]1Br	856853051	KFZXIMBPFCHBEL-IQJOONFLSA-N	307.188	1.917	50	20	DDGD	
Cc1ccn2cc(C(=O)NNC(=O)OCC(F)(F)F)nc2c1	856024752	IOWXDJOTTPKZEC-UHFFFAOYSA-N	316.239	1.576	50	20	DDGD	
C[C@@H]1COC[C@H]1NC(=O)NNc1ccc2c(=O)[nH]ccc2c1	926016617	PGUNKMFYTVEOMO-NOZJJQNGSA-N	302.334	1.189	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=C(C)c1cnn(C)c1	920828032	SCUUHYOFBJALLB-UHFFFAOYSA-N	324.388	1.873	50	20	DDGD	
CCCN1CC[C@@H](NC(=O)NNC(=O)c2ccccc2OC)C1	852086456	SFIRFPGCFIWYJW-GFCCVEGCSA-N	320.393	1.124	50	20	DDGD	
CO[C@](C)(C(=O)NCC(Cl)Cl)C(=O)OC(C)(C)C	854451325	ZFHLHTSBPOSBPX-LLVKDONJSA-N	300.182	1.653	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=S)NCC2CCC2)cc1	855092262	XHTFCDALPNQXOT-UHFFFAOYSA-N	305.403	1.798	50	20	DDGD	
O=C(C[C@@H]1CSCCS1)NNC(=O)OCC(F)(F)F	856021737	LIKZSNGRWFVDHE-ZCFIWIBFSA-N	318.342	1.545	50	20	DDGD	
CCn1ncc(Cl)c1C(=O)NNC(=S)N[C@@H](C)C1CC1	857724631	ZIRIFBYOBAKVGL-ZETCQYMHSA-N	315.830	1.464	50	20	DDGD	
CC[C@@H]1COCC1=NNC(=O)COc1ccccc1[N+](=O)[O-]	853272092	NSEISTAPPOHYAG-SNVBAGLBSA-N	307.306	1.502	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)[C@H]1CCn2ccnc2C1	855623082	VANNYBYEHTXKKO-VIFPVBQESA-N	319.296	1.636	50	20	DDGD	
C[C@@]1(CNC(=O)c2cccc3nn[nH]c23)C[C@H]1Br	857732820	CXWVYTMVQKYCCB-SKDRFNHKSA-N	309.167	1.861	50	20	DDGD	
CCN(C(=O)/C(C#N)=C/c1cnn(C)c1)[C@@H](CO)c1ccccc1	922084213	MUWGRMWFMPYWNQ-NDCSFFLDSA-N	324.384	1.909	50	20	DDGD	
C=CCC[C@H](CO)NC(=O)NC[C@@]1(C)C[C@H]1Br	856957979	IVBAWDBVFDVKHQ-CKYFFXLPSA-N	305.216	1.786	50	20	DDGD	
CCc1nc(S(=O)(=O)N2CC=C(C#N)CC2)cn1CC1CC1	851777316	OOGBDFDPGQYYFV-UHFFFAOYSA-N	320.418	1.700	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cccc3c2OCO3)o1	757994882	IMIDWPNDCREHHH-UHFFFAOYSA-N	303.274	1.783	50	20	DDGD	
Cc1c(C=NNC(=O)N2CCOCC2)c2ccccc2n1C	853296494	FJXJGPUYXKZUHV-UHFFFAOYSA-N	300.362	1.862	50	20	DDGD	
CC[C@](C)(NC(=O)NNC(=O)[C@@H]1CCCCO1)C(F)(F)F	933521370	ZECHACUDCOQJAZ-KWQFWETISA-N	311.304	1.617	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@@H]1[C@H]1CCCO1)c1cccc(F)n1	852708609	ABNHYPJODMZSQM-VXGBXAGGSA-N	322.340	1.219	50	20	DDGD	
CC(C)(C)n1nnc(CC(=O)NNc2cccc(Cl)n2)n1	854602353	CBLYDDAWCQSSBI-UHFFFAOYSA-N	309.761	1.162	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NN=C1CCC(O)CC1	853377459	SXDMQDVGUOPKIM-JYRZLJSNSA-N	320.393	1.295	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H]2CCn3ccnc3C2)c1	862478205	DWHHMIFWMMWRDP-SNVBAGLBSA-N	304.375	1.277	50	20	DDGD	
O=S(=O)(CCl)NC[C@H]1CCCN(CC(F)(F)F)C1	867708751	BMJCXYAUXCYFIQ-MRVPVSSYSA-N	308.753	1.376	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)n[nH]1	768277563	GTAIISWFOMDAJJ-SKDRFNHKSA-N	316.361	1.828	50	20	DDGD	
C[C@@H](NNC(=O)C1CCN(CC(F)F)CC1)C(F)(F)F	862317017	IKLFUSVMELKHEF-SSDOTTSWSA-N	303.275	1.535	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2(F)CCOCC2)cc1F	868780959	DPIRDHUVRRZUCW-UHFFFAOYSA-N	314.288	1.574	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)s1	862457991	VFRXIHYAPHTALV-QMMMGPOBSA-N	309.391	1.085	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1ccnc2ccnn12	863103331	VOLGCAMQUMMUHA-UHFFFAOYSA-N	309.198	1.161	50	20	DDGD	
CN(CC(=O)NNCC(F)(F)C(F)(F)F)c1ccccc1	863094757	REASXYVABZRMNA-UHFFFAOYSA-N	311.254	1.941	50	20	DDGD	
COc1cc(O)c(C=NNC(=O)c2ccccn2)cc1OC	768357504	MCCZPIWREOPMCE-UHFFFAOYSA-N	301.302	1.568	50	20	DDGD	
O=C(NNc1cccc(F)c1)c1cncc(N2CCCC2)n1	866869170	SQBKEAKSMZOGMH-UHFFFAOYSA-N	301.325	1.973	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(C)(C)O)cc1-n1cccc1	768248363	WQBIIXNJTNKUAO-UHFFFAOYSA-N	301.346	1.318	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@@H](O)CC(C)C)cc(C#N)n1C	762473088	LHIIVEHBDSDJBB-CQMBDMNQSA-N	314.389	1.635	50	20	DDGD	
CCCN(NC(=O)Cn1cc(C2CC2)nn1)C(=O)OC(C)(C)C	1117300358	BOPDKGPACMDIAV-UHFFFAOYSA-N	323.397	1.834	50	20	DDGD	
COCCOCC(=O)NN=C1CCc2cc(F)c(F)c(F)c21	872400636	XEBZXADPQVETHK-UHFFFAOYSA-N	316.279	1.533	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cc2c(cc1F)NC(=O)CC2	879301571	PRVJGAPBCRSAPU-UHFFFAOYSA-N	310.285	1.445	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@@H]2CC=CCC2)cc1	1115899047	KZDXQVGJJRGCFC-GFCCVEGCSA-N	303.362	1.996	50	20	DDGD	
N#Cc1ccc(NC(=O)NNC(=O)C2CCNCC2)cc1Cl	1118019891	RAFMZSRZPCRAHN-UHFFFAOYSA-N	321.768	1.364	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)NC2CCCC2)c(F)c1	777372675	GXFRQVRKGLAGBC-UHFFFAOYSA-N	307.325	1.915	50	20	DDGD	
Cc1cccc(NNC(=O)NC[C@H](C)C(=O)OC(C)(C)C)n1	875704760	NZOYNUHHOJXYAT-JTQLQIEISA-N	308.382	1.994	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNC(=O)c1nc2ccccc2s1	874913361	KPSLCXRNQXIFQM-MRVPVSSYSA-N	321.358	1.257	50	20	DDGD	
O=C(CN1CCCC1)NNC(=O)c1c(Cl)cccc1Cl	874329952	ZEPCQTLZUXREFD-UHFFFAOYSA-N	316.188	1.850	50	20	DDGD	
CCC(C)(C)NC(=S)NNC(=O)COc1ccc(F)cc1	774148312	DKOMRJDJBTXVFD-UHFFFAOYSA-N	313.398	1.888	50	20	DDGD	
COC(=O)C(=O)NN=C1CCN(C2CC2)[C@H](c2ccccc2)C1	1117961140	NWZAQBDONNOFMQ-HNNXBMFYSA-N	315.373	1.631	50	20	DDGD	
O=C(CC1CCN(CC(F)F)CC1)NNC(=O)C1CCCC1	873990708	CISKYHRAYOOTQP-UHFFFAOYSA-N	317.380	1.691	50	20	DDGD	
CN=[S@@](C)(=O)c1cccc(NC(=O)NNC(=O)C2CC2)c1	879837968	UZVQELQZAUBZCO-NRFANRHFSA-N	310.379	1.336	50	20	DDGD	
C[C@]1(C(=O)NNc2ccnc(Br)c2)CCOC1	771561467	QHGNIFCYZHDCNV-NSHDSACASA-N	300.156	1.714	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cc(OC)n(C)n1	772685287	BBUUKBHVSBZRGH-UHFFFAOYSA-N	307.262	1.565	50	20	DDGD	
CCCCS(=O)(=O)NCC(=O)NNc1ccc(F)c(F)c1	885112803	DPPRRAHQPDUPCV-UHFFFAOYSA-N	321.349	1.127	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccncc1	1126929368	AQTDKHYJBHINKZ-JKSUJKDBSA-N	309.369	1.884	50	20	DDGD	
Cc1cccnc1NC(=O)CCNS(=O)(=O)CCCCl	882256163	FFPXIPVVEQOUMN-UHFFFAOYSA-N	319.814	1.267	50	20	DDGD	
O=C(NNc1ncncc1Cl)C(=O)Nc1ccccc1F	782165696	KGXLTGKWIZVNFH-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
Cc1cc(C)cc(CCNC(=O)NNC(=O)C2CCOCC2)c1	883446412	DCDISHXROMYGKO-UHFFFAOYSA-N	319.405	1.603	50	20	DDGD	
CNC(=O)[C@H](CC(C)C)NC(=O)/C(C#N)=C/c1ccc(O)cc1	787473380	LUDCDIBLGUCDHV-GLNPCMGASA-N	315.373	1.576	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1ccc(F)cc1[N+](=O)[O-]	783846174	NKGSDJMSPKKROF-UHFFFAOYSA-N	305.269	1.621	50	20	DDGD	
O=C(NNC(=O)c1ccc2cncn2c1)c1ccc2c(c1)OCO2	785682688	SMWNWWDTWHBHRI-UHFFFAOYSA-N	324.296	1.138	50	20	DDGD	
C[C@@H](Cc1ccccc1)NC(=S)NNC(=O)NCC1CC1	786066416	GFZRTWLZVVLLFS-NSHDSACASA-N	306.435	1.706	50	20	DDGD	
C[C@H]1Cc2ccccc2N1CCNS(=O)(=O)CCCCl	881825364	FVPRDDGJRPDCES-LBPRGKRZSA-N	316.854	1.986	50	20	DDGD	
O=C(Cn1nnc2c1CCCC2)NNc1cc(F)ccc1F	885141903	PKJUCPYUACMNCV-UHFFFAOYSA-N	307.304	1.578	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccoc1Br	899995739	CMDCPEREMUDEAG-UHFFFAOYSA-N	320.212	1.950	50	20	DDGD	
COc1cc(C)ccc1NC(=O)C(=O)NNc1ccc(C)nn1	783947788	KXBVRBMEBDONLV-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cnc2nccnc2c1	781836789	HKMOALCNSALDGU-UHFFFAOYSA-N	301.697	1.225	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNc1nc2ccccc2n1C	899094955	BEHFHRYOMOVZBV-FZMZJTMJSA-N	300.362	1.998	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)Nc1nccs1	796656244	SBXNMCMTFTVTHD-UHFFFAOYSA-N	302.323	1.267	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC[C@H]2CC[C@@H](C)C2)n1	793460952	WABBQMWOTKGAQD-MFKMUULPSA-N	307.398	1.267	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cc2ccccc2c(=O)o1	797755296	BQHLPVXYLGZQCZ-UHFFFAOYSA-N	316.704	1.993	50	20	DDGD	
COc1cccnc1CC(=O)NNC(=O)Cc1ccc(F)cc1	798153693	ACFJMGYKFUGIOX-UHFFFAOYSA-N	317.320	1.162	50	20	DDGD	
C=C(CBr)COC(=O)[C@]1(C)CCN(C(C)=O)C1	795533057	HUQMDXDYFJYJTA-GFCCVEGCSA-N	304.184	1.739	50	20	DDGD	
COc1ccc(C)cc1C(C)=NNC(=O)N1CCN(C)CC1	790174218	QBRDTEJGBICBBL-UHFFFAOYSA-N	304.394	1.685	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc2ccn(C)c(=O)c2c1	794386677	SZZGGOQQOPTBMR-UHFFFAOYSA-N	302.334	1.347	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1cccnc1F	791218402	GFUWUQXETSTEAP-UHFFFAOYSA-N	300.253	1.423	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cn1	790587795	DIKUXCXMKAQBTB-UHFFFAOYSA-N	321.224	1.794	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cccc2c1OCO2	793078181	CPNBLGACCGBBBF-UHFFFAOYSA-N	314.388	1.481	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)Cn1cccnc1=O	794948032	GNDHHVREVSNSPP-UHFFFAOYSA-N	300.362	1.818	50	20	DDGD	
CC(=NNC(=O)c1cccn1C)c1ccccc1-n1ccnn1	794889434	TWDDAAXTWBWOBT-UHFFFAOYSA-N	308.345	1.760	50	20	DDGD	
CCNc1nc(C)c(C(=O)NNC(=O)c2cccc(C)n2)s1	795678533	JNOACIXUNYYJPR-UHFFFAOYSA-N	319.390	1.662	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)CO[C@H]2CCOC2)cc1	1318915600	SUKMNIIUSPETTR-LBPRGKRZSA-N	324.402	1.040	50	20	DDGD	
Cc1cc(C=NNC(=O)CCCNC(=O)C(C)(C)C)ncn1	1327688034	OEJSDOAJRNDCSK-UHFFFAOYSA-N	305.382	1.178	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)Nc2cncnc2)cc1Cl	1326102614	BNLNGVIMUBRWKT-UHFFFAOYSA-N	316.708	1.083	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H](C)c1ccc(F)c(F)c1	1323169326	OLXZHIRLZNUUHJ-SECBINFHSA-N	315.320	1.435	50	20	DDGD	
CNC(=O)NNC(=O)[C@H]1CCCCN1Cc1cccc(C)c1	1322943178	FLFVGCRYWUDZBK-CQSZACIVSA-N	304.394	1.310	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2CCS[C@@H]2C)cc1	1326312847	IBMYHZORNDMPRD-BXKDBHETSA-N	309.391	1.533	50	20	DDGD	
CCOc1ccc(C[C@H](CNC(=O)CCl)C(=O)OC)cc1	1320466782	POIMJMJGWKEDDK-GFCCVEGCSA-N	313.781	1.772	50	20	DDGD	
CCN(C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br)C1CCC1	1328961386	FDBYVTTXIOTQTD-GWCFXTLKSA-N	317.227	1.677	50	20	DDGD	
O=C(CCO)NN=Cc1cccc(I)c1	1257177251	TYEIXIMSRRJPQL-UHFFFAOYSA-N	318.114	1.124	50	20	DDGD	
O=S(=O)(c1cc(Cl)ccc1Cl)N1CC[C@@H](B(O)O)C1	585061442	XLFNYGMSQCLOLB-SSDOTTSWSA-N	323.994	1.231	50	20	DDGD	
O=C(NNC(=O)N1CC[C@@H]2CCCC[C@@H]2C1)c1cccnn1	1330856022	MURBCUCWDCZFIS-NWDGAFQWSA-N	303.366	1.343	50	20	DDGD	
Cc1coc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c1C	1261129590	UJFSBJCHQIOGEC-LLVKDONJSA-N	300.380	1.002	50	20	DDGD	
CN(CC(=O)NNc1nncc(N)c1Cl)Cc1ccccc1	1333509396	QPEWRSWWAQSTDU-UHFFFAOYSA-N	320.784	1.287	50	20	DDGD	
CC(=NNC(=O)C1CCOCC1)c1ccc([S@@](C)=O)cc1	1262038239	CHDJEHPATAJACC-OAQYLSRUSA-N	308.403	1.691	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CCOC3(CCCC3)C2)nc1	1608904315	PZJWPHSEYDAQRB-LLVKDONJSA-N	319.361	1.962	50	20	DDGD	
O=C(O)c1ccc(Br)c(NNC(=O)[C@H]2C[C@H]2F)c1	1608870763	NOLGCEPHZVRXSI-POYBYMJQSA-N	317.114	1.948	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c(Cl)n1	1606232528	NFQLIIHVFAQGGE-UHFFFAOYSA-N	318.728	1.011	50	20	DDGD	
CN(C)[C@@H]1CCC[C@@H](C(=O)NNc2cccc(C(=O)O)c2)C1	1606018565	AJQQOCBRNRQJAV-BXUZGUMPSA-N	305.378	1.948	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2ccc(C(=O)O)o2)c1	1607857008	JJBWXALUSPLEFM-UHFFFAOYSA-N	319.342	1.918	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)C1CCOCC1	1549316633	HMJSZDTXNQIWBW-ZFWWWQNUSA-N	309.410	1.158	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)Nc1cncc(C(=O)O)c1	1610700255	MRAXKKHNJRWRQZ-UHFFFAOYSA-N	318.264	1.385	50	20	DDGD	
CCc1cc(CNC(=O)NNc2cccc(C(=O)O)c2F)n[nH]1	1610058646	LXJYHPYRMDOPEF-UHFFFAOYSA-N	321.312	1.636	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@H]2CCC(C)(C)CN2)cn1	1579959211	OXWKZPUHNBYFAM-CNTYAEFGSA-N	301.394	1.221	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@H](N)CC(C)C)cc1OC	1573801108	LZWSBHHBHDYQJW-LBPRGKRZSA-N	323.393	1.228	50	20	DDGD	
NCCc1ccc(C(=O)NNc2ccccc2[N+](=O)[O-])cc1	1580316003	YVORLGPPVQRYDF-UHFFFAOYSA-N	300.318	1.853	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H](N)Cc2cc3ccccc3o2)nc1	1580070504	ZMEPGYHCCPFNNF-CQSZACIVSA-N	321.340	1.713	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])[C@@H]1CC[C@@H]2CCCC[C@@H]2N1	1580742981	LRILTOXJXVEZAM-SRVKXCTJSA-N	319.365	1.744	50	20	DDGD	
N[C@@H](CCC(=O)NNC(=O)c1cccc(F)n1)c1ccccc1	1580128530	VYHNKHRVPYOBOO-LBPRGKRZSA-N	316.336	1.462	50	20	DDGD	
CC(C)OCC(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1589744127	VLYRNPAODVHMDL-UHFFFAOYSA-N	310.745	1.388	50	20	DDGD	
O=C(c1ccco1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843362749	GVAUWBVSWLQQPY-SNVBAGLBSA-N	300.717	1.631	50	20	DDGD	
C[C@@H](CC(=O)O)CC(=O)NNc1cccc(S(C)(=O)=O)c1	1592392080	XHBAEBBSRLXTFZ-SECBINFHSA-N	314.363	1.034	50	20	DDGD	
CC(C)n1ncc(C(=O)NNc2cccc(C(=O)O)c2)c1N	1592153306	HBDTZULJKPNIQO-UHFFFAOYSA-N	303.322	1.501	50	20	DDGD	
COc1cc(C(C)=NNC(=O)NCC(=O)O)ccc1SC	1599386843	GGNWURZMSGHXQZ-UHFFFAOYSA-N	311.363	1.525	50	20	DDGD	
C[C@@]1(C(=O)NCC2(C(=O)O)CCOCC2)C[C@H]1Br	1593754262	UPNYRGMGJVTBDU-LDYMZIIASA-N	320.183	1.158	50	20	DDGD	
CCn1cc(C(=O)N(c2nc(CC(=O)O)cs2)N(C)C)cn1	1597875771	OBRXJFVBAYCFHE-UHFFFAOYSA-N	323.378	1.110	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2cccc(C(=O)O)c2F)CCCO1	1594020782	UMEKSCVHSLEKOV-AWEZNQCLSA-N	311.313	1.719	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H]2CC=C(C(=O)O)C2)C[C@@H]1Br	1594018164	XDYAERGLBJJTAP-VDDIYKPWSA-N	317.183	1.633	50	20	DDGD	
CCCOc1ccc2c(c1)C(=NNC(=O)NCC(=O)O)CCO2	1595965053	DXIFDXBCUFQPOP-UHFFFAOYSA-N	321.333	1.346	50	20	DDGD	
O=C(O)CCOc1ccc(C=NNC(=O)c2nccs2)cc1	1776109685	VGVFUBCEIZFDQK-UHFFFAOYSA-N	319.342	1.761	50	20	DDGD	
Cn1nc(C(=O)O)cc1C=NNC(=O)c1c[nH]c2ccccc12	1776019212	PQHHFSJGQZJVRU-UHFFFAOYSA-N	311.301	1.364	50	20	DDGD	
O=C(NN=Cc1ccn([C@H]2C[C@H](C(=O)O)C2)n1)c1ccccn1	1776028373	LSRXCPBJGTWGCV-UMSPYCQHSA-N	313.317	1.078	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=Cc1cccc(C(=O)O)c1Cl	1776058099	GDOQXDODCUIHJA-UHFFFAOYSA-O	318.740	1.476	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)COc2ccccc2O)cc1	5824293	UMMAOXDIADAMPV-UHFFFAOYSA-N	314.341	1.795	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccccc1CCC(F)(F)F	161284876	IFVAJPRMVUHAIB-UHFFFAOYSA-N	317.267	1.287	50	20	DDGD	
Cn1c(C(=O)NNC(=O)CCCc2ccccc2)cccc1=O	162965605	NTJRWUQRVALTEF-UHFFFAOYSA-N	313.357	1.169	50	20	DDGD	
N#Cc1cccc(NNC(=O)Cc2ccc(-n3cnnn3)cc2)c1	152247463	MDMCOUIVPHGDKK-UHFFFAOYSA-N	319.328	1.220	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCCOc2ccccc2F)[nH]n1	153089718	PNSSCHOLPSOCRS-UHFFFAOYSA-N	320.324	1.477	50	20	DDGD	
COc1ccc([C@@H](NC(=O)NNC(C)=O)C(F)(F)F)cc1	155016325	PQBAKSNWZZWDFJ-SNVBAGLBSA-N	305.256	1.649	50	20	DDGD	
CC(C)CC(C)(C)C(=O)NNc1nccc(N2CCOCC2)n1	155486697	GJOQBEXWEUJEQQ-UHFFFAOYSA-N	321.425	1.829	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)C1=CCCCC1	154357299	DIQNBRFCLNAVMB-UHFFFAOYSA-N	312.329	1.185	50	20	DDGD	
O=C(NNc1ccncc1Cl)c1cc([N+](=O)[O-])cnc1O	154626873	CFZVLAPFFGMXMS-UHFFFAOYSA-N	309.669	1.501	50	20	DDGD	
O=C(NCCc1cscn1)NNC(=O)c1ccccc1O	159150541	QURVIFGQYQQROV-UHFFFAOYSA-N	306.347	1.035	50	20	DDGD	
O=S(=O)(c1ccc(CCl)cc1)N1CCC[C@@H](O)CC1	393439658	XXCWUFRDKWHMMM-GFCCVEGCSA-N	303.811	1.961	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cccc(C#N)c2)c1[N+](=O)[O-]	103403450	CRXBIKNFZMXQLA-UHFFFAOYSA-N	324.296	1.850	50	20	DDGD	
CC(C)[C@@H](CC(=O)NNC(=O)C(=O)NC1CC1)c1ccccc1	103064700	NUUVMLJPBNBNQK-CQSZACIVSA-N	317.389	1.242	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)C(=O)N1CCCC1)c1ccccc1F	102639118	QFYKYOBLKDVVIA-NSHDSACASA-N	321.352	1.089	50	20	DDGD	
C[C@H](c1ccccc1Cl)N(C)CC(=O)NNC(=O)C1CC1	112977305	CQRGTJLPVWSORL-SNVBAGLBSA-N	309.797	1.890	50	20	DDGD	
O=C(NNc1ncccn1)N[C@@H]1CCOc2ccc(F)cc21	69461842	OWTNFUOPMXPGKC-LLVKDONJSA-N	303.297	1.766	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCc1cnn(C)c1)c1ccccc1	110340166	VEJSBWNEODRXOQ-OAHLLOKOSA-N	314.389	1.694	50	20	DDGD	
C[C@H](SCc1ccccc1)C(=O)NNC(=O)c1cnn(C)c1	117678563	YSYNVJJTDVXDHH-NSHDSACASA-N	318.402	1.503	50	20	DDGD	
CN(C)[C@H](C(=O)NNc1ccc(Cl)nn1)c1ccccc1	118500111	FPTJXLYAMKSLEO-ZDUSSCGKSA-N	305.769	1.876	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2ccc(F)cc2C)nc1	124301003	WLNUJWIKGNMINP-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
COc1ccc(OCCCC(=O)NNC(=O)[C@@H]2CCCO2)cc1	32262145	HEANDHVHYXZBHL-AWEZNQCLSA-N	322.361	1.181	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@@H]1CCC[C@H]2OCC[C@H]12	121926522	KVUKDYSINCWLEU-OPRDCNLKSA-N	311.773	1.714	50	20	DDGD	
O=C(NNC(=O)c1cccc2ccccc12)c1ccc[n+]([O-])c1	122253770	APXFHEMMWRHBFM-UHFFFAOYSA-N	307.309	1.548	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2ncoc2C)cc1	121745492	QYZIPTBGUKYHKS-UHFFFAOYSA-N	303.318	1.385	50	20	DDGD	
O=C(CCCNC(=O)c1ccc(F)cc1)NNc1ccccn1	181256552	IJGGFOJFYZWKBM-UHFFFAOYSA-N	316.336	1.874	50	20	DDGD	
O=C(CN(C1CCCC1)C1CC1)NNC(=O)c1ccccc1	182253580	XAGQZZBFQABUBA-UHFFFAOYSA-N	301.390	1.855	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NNC(=O)C(C)C)[nH]n1	127149657	ACVDJYDGUOKNQQ-UHFFFAOYSA-N	302.334	1.502	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(C)nc(C(F)(F)F)n2)ncn1	188283154	NEOWNOSKNOJDPY-UHFFFAOYSA-N	312.255	1.659	50	20	DDGD	
COc1nccnc1NNC(=O)c1c[nH]nc1-c1ccsc1	189797657	OWXIACRQZCJFPF-UHFFFAOYSA-N	316.346	1.694	50	20	DDGD	
CC[C@@H]1C[C@@H](C(=O)NNC(=O)COCc2ccccc2)CCO1	180226296	RMEBGFFTLWYMQC-LSDHHAIUSA-N	320.389	1.556	50	20	DDGD	
Cc1ccsc1C(=O)NNC(=O)c1ccc2c(c1)OCO2	36892676	MDNQNUXJKBFNGP-UHFFFAOYSA-N	304.327	1.860	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(Cl)ccc2O)cn1	73445241	PWSGBBBWAFFKMK-UHFFFAOYSA-N	305.721	1.824	50	20	DDGD	
Cc1ccnc(O)c1C(=O)NNc1nc(-c2ccncc2)no1	183651480	QCWALOBZSSAVPL-UHFFFAOYSA-N	312.289	1.298	50	20	DDGD	
C[C@H](CBr)CN1CCN(C2CCOCC2)CC1	133851956	MZBRTYPHTJEFQD-GFCCVEGCSA-N	305.260	1.814	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2ccc(Cl)o2)c1	73315563	QNPOEJUVKDSAFZ-UHFFFAOYSA-N	323.736	1.815	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C/c2cnn(CCCl)c2)n1	134491126	RRROJKCELBUFLR-IZZDOVSWSA-N	304.741	1.401	50	20	DDGD	
O=C(Cc1ccc(F)cc1F)NNC(=O)c1ccccc1O	88252284	LPJRGXAUVAZGSL-UHFFFAOYSA-N	306.268	1.674	50	20	DDGD	
COc1ccnc(NNC(=O)NC2CC(C)(C)NC(C)(C)C2)n1	42909810	RSYSJEIUVQIOBW-UHFFFAOYSA-N	322.413	1.421	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(-c2ccco2)[nH]n1	131804906	OMRPJMQVIZCZBT-UHFFFAOYSA-N	300.278	1.225	50	20	DDGD	
Cc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)Cc1ccncc1	81024438	CUILILDEJSLGDL-JKSUJKDBSA-N	309.369	1.884	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(N(C)C)cc1F	132022547	PEKMWLKOLOJWMT-UHFFFAOYSA-N	305.313	1.447	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc(N(C)CCC#N)cc1	192544804	XTQJWSDFBIAJIM-QINSGFPZSA-N	312.373	1.706	50	20	DDGD	
Cc1c(CCC(=O)NNc2ccc(C(C)(C)C)nn2)cnn1C	89494815	YYICBAKNAJWOQW-UHFFFAOYSA-N	316.409	1.892	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cccn2C)c1[N+](=O)[O-]	193890885	CTJOYPTYNXPFID-UHFFFAOYSA-N	318.289	1.017	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(CSc2nccn2C)o1	47430069	DAKINCSKUBVOTC-UHFFFAOYSA-N	324.362	1.696	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1sccc1-n1cccc1	192464073	LGJMDJFFTOCNGF-UHFFFAOYSA-N	314.370	1.952	50	20	DDGD	
N#Cc1csc(C(=O)NNC(=O)NCCc2cccs2)c1	84282145	YIUCFRSPOVOPTG-UHFFFAOYSA-N	320.399	1.868	50	20	DDGD	
COCc1ccc(NC(=O)NNC(=O)c2cnn(C)c2)cc1	192534073	BQAHAXGQSKZJDT-UHFFFAOYSA-N	303.322	1.033	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccnc(OC2CCC2)c1	90039187	CXTVMXZMSBKDRK-UHFFFAOYSA-N	306.366	1.757	50	20	DDGD	
O=C(CCOc1ccc(Cl)cc1)NNC(=O)c1ccc[nH]1	97326026	IIZAQSXXECHRCG-UHFFFAOYSA-N	307.737	1.898	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C[C@@H]2CCc3ccccc3C2)cn1	265345746	SHGARKJZJMCQCY-GFCCVEGCSA-N	312.373	1.376	50	20	DDGD	
C[C@H](NC(=O)NN(C)c1ccccc1)[C@H](C)N1CCOCC1	265509122	FOELMHFOENHRGH-KBPBESRZSA-N	306.410	1.446	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2CCC[C@@H](SC)C2)n1	265403814	WWLWKHWYQZHPMD-NXEZZACHSA-N	311.411	1.786	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)c2ccc(C)o2)cc1C	269020004	JLMACQGNMFZXJD-UHFFFAOYSA-N	318.329	1.745	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)CCO)c1C	269690022	NXTHNUUTDNQPNA-SEJMYLSOSA-N	319.405	1.545	50	20	DDGD	
O=C(/C=C/SCc1ccco1)NNC(=O)N1CCOCC1	267942455	UWMFIGAVKOGZOR-YCRREMRBSA-N	311.363	1.100	50	20	DDGD	
O=C(NNC(=O)C1CC1)C(=O)Nc1c(F)cc(Cl)cc1F	274008073	BAXBIXZFMAXTTR-UHFFFAOYSA-N	317.679	1.114	50	20	DDGD	
CCC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CC(C)C)c1	274119399	GQNFWAMMGYNEIT-UHFFFAOYSA-N	319.361	1.411	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccc2c(c1)NC(=O)CO2	276624290	ROZKQDXNHGBMQO-WDZFZDKYSA-N	302.286	1.114	50	20	DDGD	
C=C(CBr)CN1CCC(C)(C)S(=O)(=O)CC1	366367178	DCLAPJRVUXUEBP-UHFFFAOYSA-N	310.257	1.837	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cncnc2C(C)C)nc1	270373825	MUOCWIWBMZGFGI-UHFFFAOYSA-N	315.333	1.539	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H]2CCCc3cn[nH]c32)n1	279560590	BJBLIZIFSSIIOD-NSHDSACASA-N	314.349	1.135	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2cccc(S(C)(=O)=O)c2)on1	272026371	NWVVLUTZUMIABS-UHFFFAOYSA-N	323.374	1.958	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H]2COC3(CCCCC3)O2)nn1	271967738	NWVAGRCFAPDYQM-GFCCVEGCSA-N	321.381	1.487	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)[C@H]1CCCO1	270558539	JLTPNTOTVUWRRB-LLVKDONJSA-N	310.375	1.114	50	20	DDGD	
COc1cccc(CC(=O)NNC(=S)NCCSC)c1	271230093	FPGZLRJUWUGJEY-UHFFFAOYSA-N	313.448	1.096	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2CN(C)Cc3ccccc32)nn1	366955949	VKUVVMVGJYONCY-CQSZACIVSA-N	312.377	1.598	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@H](CO)c1ccc(F)cc1	275766141	LDACXOIUWNQKON-GFCCVEGCSA-N	309.790	1.798	50	20	DDGD	
O=C(CN1CCSC1=O)NNc1ccc(C(F)(F)F)cn1	274713053	AYCXSNZQIYPCBQ-UHFFFAOYSA-N	320.296	1.712	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(C)oc1C(F)(F)F	274826802	PWLIFKRHLVATEA-UHFFFAOYSA-N	323.271	1.587	50	20	DDGD	
O=C(CNS(=O)(=O)CCCCCl)OCc1ccccc1	275484101	JQRAIFCKDWKSAN-UHFFFAOYSA-N	319.810	1.668	50	20	DDGD	
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NNc1ccc(OC)cn1	276036145	WWAVJQJPMXXDQP-ZJUUUORDSA-N	309.370	1.020	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H](C)c2cnn(C)c2)c1	272672045	PUSAHJKODROKMT-JTQLQIEISA-N	317.349	1.594	50	20	DDGD	
N#CC1=CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1	272352521	ANWHGHKBQDQZBW-AWEZNQCLSA-N	303.318	1.490	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCO[C@@H](C)C1	272113581	RSDODIZLMMREJJ-NWDGAFQWSA-N	322.361	1.037	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2CCc3c[nH]nc3C2)n1	372747233	NXZCBJQTSXIXOD-NSHDSACASA-N	301.354	1.000	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC(C)C)nc(C(F)(F)F)n1	275115614	HYEKJLUTQATSOB-UHFFFAOYSA-N	304.272	1.611	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CC2CCC1CC2	378382418	YAAORTGRGIHDFI-UHFFFAOYSA-N	303.362	1.924	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)[C@H]1C[C@]12CCOC2	372806386	UVSTZTJPBSDKHK-APWZRJJASA-N	324.380	1.956	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNc1nc(-c2ccncc2)no1	289646042	LJLNVSHASWEKQP-VIFPVBQESA-N	319.321	1.164	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@@H]2CCO[C@@H](C)C2)n1	280282127	MVEXKLDSNMZRNB-NWDGAFQWSA-N	306.366	1.149	50	20	DDGD	
Cn1ccc2ccc(NC(=O)NNC(=O)C3CCC3)cc2c1=O	285058836	WIROVSGEWACUBZ-UHFFFAOYSA-N	314.345	1.491	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@]2(O)CCc3ccccc3C2)o1	375070887	PKOKRENKHYUMBE-KRWDZBQOSA-N	314.341	1.269	50	20	DDGD	
CSSCCNC(=O)N1C[C@H](C)O[C@]2(CCCOC2)C1	375218091	KAQFXTXRJIXCTD-WCQYABFASA-N	320.480	1.977	50	20	DDGD	
COCC1(C(=O)NNC(=O)COc2cc(C)ccc2C)CCC1	284501442	YGQZSPYROKJEBL-UHFFFAOYSA-N	320.389	1.646	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNc1ccc(C(F)(F)F)nn1	282247255	BVXPFVCSRSWSQD-PJKMHFRUSA-N	304.272	1.752	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CC[C@H](C(=O)OC)CC2)nc1	280719046	FMDQUCAZZXCDEO-XYPYZODXSA-N	307.350	1.513	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc(Cl)nc1C	288532976	OHTCYRVDGIFMLX-SSDOTTSWSA-N	305.787	1.399	50	20	DDGD	
CCc1cccc(CC)c1NC(=O)C(=O)NNc1ccncn1	296486771	VVYVFAAEKBNWLB-UHFFFAOYSA-N	313.361	1.683	50	20	DDGD	
O=C(NNc1cccc(F)n1)C(=O)Nc1ccc(Cl)cc1	804772243	CFGSKCSWMVTREZ-UHFFFAOYSA-N	308.700	1.956	50	20	DDGD	
CCn1ccnc1C(=O)NNC(=O)COc1cc(C)cc(C)c1	291524170	ZULPWNPJAFNMEF-UHFFFAOYSA-N	316.361	1.360	50	20	DDGD	
COC(=O)Nc1cccc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	294304981	RCWJXZRYINDIBK-CABZTGNLSA-N	321.333	1.193	50	20	DDGD	
COc1ccccc1OCCNC(=O)NNc1cccc(F)n1	804859201	OQVMWXCDAUKJHR-UHFFFAOYSA-N	320.324	1.934	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(OC(C)(C)C)cn2)O1	294378586	WMDWSKPOVAWMRL-GWCFXTLKSA-N	321.377	1.587	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cccc(N2CCOC2=O)c1	298824463	ZRHMOLJXYQHGAY-UHFFFAOYSA-N	305.334	1.450	50	20	DDGD	
C=C(CNC(=O)NNC(=O)[C@H]1CCCCO1)c1ccccc1	298058295	UBPDWTOXFVAVFH-CQSZACIVSA-N	303.362	1.599	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@H]2CCc3c(O)cccc32)O1	297920130	LAIYKFBXWKPDNY-WFBYXXMGSA-N	319.361	1.277	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1c(F)ccc(O)c1F	809566280	FIMHYMTVZCJCME-UHFFFAOYSA-N	321.283	1.544	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1nc2c(s1)CCCC2	297493479	PQQIERYABMXVRW-JTQLQIEISA-N	324.406	1.744	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@H]2CCCCO2)cc1[N+](=O)[O-]	296154081	JXRJNYPFVZUQTE-GFCCVEGCSA-N	322.321	1.625	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ncccc1OCC(F)(F)F	819123473	ZBEVORNLFNCPBM-UHFFFAOYSA-N	317.267	1.584	50	20	DDGD	
O=C(NNC(=O)c1nc(Cl)sc1Cl)c1ccccn1	816808781	YHXWQCYXSAALRU-UHFFFAOYSA-N	317.157	1.920	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCc2nn[nH]c21)c1c[nH]c2ccccc12	816829690	AQRDIVKAOFXWQW-JTQLQIEISA-N	324.344	1.167	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CCC[C@H](OC)C2)nc1	815878562	KODVXJJXYXJDPD-PWSUYJOCSA-N	307.350	1.517	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NC[Si](C)(C)c1ccccc1	812213607	BZFYKELGTWXXAJ-UHFFFAOYSA-N	321.497	1.908	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1sccc1Br	814954201	AQDDKARZUMENME-UHFFFAOYSA-N	313.180	1.927	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@H](C(=O)NNC(=O)CC2CC2)C1	819104646	QRKIRYVHMMZEQV-LBPRGKRZSA-N	309.410	1.219	50	20	DDGD	
COc1cc(Cl)cc(C(=O)NNC(=O)c2cccn2C)c1	814255533	SBODCDDWXAPVKN-UHFFFAOYSA-N	307.737	1.762	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2cnn3c2OCCC3)o1	814669286	POEPYOPPYVGYNP-UHFFFAOYSA-N	316.321	1.406	50	20	DDGD	
Cn1nc(C(=O)NN=C[C@@H]2CCCOC2)c2ccccc2c1=O	814739076	AXALJFZEZQRTQH-NSHDSACASA-N	314.345	1.076	50	20	DDGD	
Cn1ccnc1CNC(=O)NN=c1sc2ccccc2n1C	728752335	DYBCQYNKEHZERW-UHFFFAOYSA-N	316.390	1.288	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@H]1CCN(c2ccccc2F)C1	813854246	WAEVNXPDJYQMGO-NSHDSACASA-N	308.357	1.391	50	20	DDGD	
Cc1cc(NC(=O)NNc2cccc(Cl)n2)c(=O)n(C)c1	814669190	HZPIEHAKCTWDQP-UHFFFAOYSA-N	307.741	1.891	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1	822799581	HCANFAUAAPXJMP-UHFFFAOYSA-N	300.702	1.602	50	20	DDGD	
Cc1ccc(NC(=O)NN(C)C2CC2)c(OCC(=O)N(C)C)c1	824131019	KUVUVICANSSGBP-UHFFFAOYSA-N	320.393	1.593	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cccc(-c2cnco2)c1	823810660	PNWFKBSSAGCOIG-UHFFFAOYSA-N	318.333	1.322	50	20	DDGD	
CCc1cc(C(=O)NNc2cccc(S(C)(=O)=O)c2)n(C)n1	821738431	GZCNCESYONIEGC-UHFFFAOYSA-N	322.390	1.143	50	20	DDGD	
CC(C)OC(=O)[C@H](C)N(C)C(=O)/C(C#N)=C/c1cnn(C)c1	491160579	LSLHYWWVKIDEBT-HOVAHTAHSA-N	304.350	1.126	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)C[C@H]1C=CCCC1	495545504	ORHYBQKDFQKPDV-NSHDSACASA-N	311.382	1.405	50	20	DDGD	
COc1cccc(NNC(=O)Nc2cccc(CC(=O)O)c2)n1	820870870	FJVTVNCPCQXVDB-UHFFFAOYSA-N	316.317	1.866	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc2nnc(C(C)(C)C)n2c1	495463827	PJGCNMPMXYOCSA-UHFFFAOYSA-N	305.338	1.418	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)CNC(=O)OC(C)(C)C	496899984	FDODQOUOXDVXMT-UHFFFAOYSA-N	313.329	1.802	50	20	DDGD	
N#Cc1cccc(NC(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1	826387527	ZOHHWQATKCBUHY-UHFFFAOYSA-N	320.316	1.887	50	20	DDGD	
CCOC(=O)NN=C1CCCc2cc(-c3nn[nH]n3)ccc21	821334105	IUBAUMNHTJWTBP-UHFFFAOYSA-N	300.322	1.653	50	20	DDGD	
CCC(COC)=NNC(=O)CCCNC(=O)OC(C)(C)C	494078082	KDJBBURWFZPVRT-UHFFFAOYSA-N	301.387	1.820	50	20	DDGD	
CC(CCO)=NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	495723031	YXLLFIJYXJYANK-LBPRGKRZSA-N	313.398	1.508	50	20	DDGD	
CCc1c(C(=O)NN(CC)CCO)cnn1Cc1ccccc1	823847238	SZMNVLHTAXEYSN-UHFFFAOYSA-N	316.405	1.453	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NC[C@@H]2CCCCO2)c1	728953439	PMEVGQMETCTEFL-ZDUSSCGKSA-N	302.334	1.071	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)C1CCC1	496800036	TYELZDVPKSFTTO-JTQLQIEISA-N	313.398	1.485	50	20	DDGD	
COc1ccccc1C[C@@H](C)CC(=O)N1CC[C@@H](B(O)O)C1	585067637	UWTVHKGSSIEEBZ-TZMCWYRMSA-N	305.183	1.339	50	20	DDGD	
C[C@]1(C(=O)N[C@H]2CCCC3(C2)OCCO3)C[C@H]1Br	907276656	KNBGQAOIXMUEHN-UMNHJUIQSA-N	318.211	1.962	50	20	DDGD	
Cc1sc(-c2ccco2)nc1C(=O)N1CC[C@@H](B(O)O)C1	585069662	ORMDXLACPMBYOL-SECBINFHSA-N	306.152	1.400	50	20	DDGD	
CCN(CCNC(=O)NNc1ccccn1)C(=O)OC(C)(C)C	491178367	IANAYIYLPMLXFK-UHFFFAOYSA-N	323.397	1.965	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCC1(NC(=O)OC(C)(C)C)CCC1	495255244	UPQBNWOPIWPHNJ-ZRDIBKRKSA-N	323.393	1.994	50	20	DDGD	
COC1(CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)CCC1	826143468	AKELTGMGJMXAGV-UHFFFAOYSA-N	317.353	1.062	50	20	DDGD	
Cc1csc([C@H](C)NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n1	825885202	JYEGDIMRYDQSAB-IVZWLZJFSA-N	312.395	1.268	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCc1ccc(O)c(F)c1	739060010	VZWWHSCVWUJROX-UHFFFAOYSA-N	317.320	1.984	50	20	DDGD	
CCN(CCO)NC(=O)c1nn(-c2c(F)cccc2F)cc1C	823879869	VMPCPHJKEPEFEV-UHFFFAOYSA-N	324.331	1.418	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1	823559566	YHWMEDUPMHQOSN-VIFPVBQESA-N	321.324	1.206	50	20	DDGD	
O=C(/C=C\c1ccc2c(c1)OCO2)NNC(=O)[C@H]1CCCCO1	492998652	ZJCWAHUAXTYCPD-SCXUMTSISA-N	318.329	1.145	50	20	DDGD	
C[C@H]1CN(C2CC2)CC1=NNC(=O)CNC(=O)OC(C)(C)C	494725340	HPRVTWHTUZJLJO-JTQLQIEISA-N	310.398	1.097	50	20	DDGD	
Cc1[nH]c(C(=O)NNC(=O)c2ccccc2O)c(C)c1C(=O)O	738158046	WEBINPGXMPKWOB-UHFFFAOYSA-N	317.301	1.110	50	20	DDGD	
O=C(CNC(=O)NNc1cccnn1)Nc1ccc(F)c(F)c1	737031100	YMTUEBONSWHDQA-UHFFFAOYSA-N	322.275	1.020	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)C(=O)NNc1cc(C#N)cc(Cl)n1	837509158	YPJSJUQDXSCVEG-VIFPVBQESA-N	318.768	1.662	50	20	DDGD	
O=C(Cc1csc2nccn12)NNc1ccc(C(=O)O)cn1	833765489	QBRSWFUAVBDBNL-UHFFFAOYSA-N	317.330	1.175	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]32)cc1	830776370	HJYSVVVWLPPSTI-ZNMIVQPWSA-N	312.373	1.696	50	20	DDGD	
CCCOc1ccc(CNCc2cccc(B(O)O)c2)c(C)c1	585037881	MRUFAOCXLZKEIT-UHFFFAOYSA-N	313.206	1.753	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc(Cl)nc1F	907197634	VPLGRSIAKUBJJT-UHFFFAOYSA-N	322.818	1.346	50	20	DDGD	
O=C(NNS(=O)(=O)c1cccc(Cl)c1)[C@H]1CCCCO1	830028293	IICWWHKQWXJYKZ-LLVKDONJSA-N	318.782	1.219	50	20	DDGD	
O=C(NN=Cc1ccc(Br)cn1)N1CCOCC1	733747443	QCIVDZRUUPNWGL-UHFFFAOYSA-N	313.155	1.220	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)c1cccc(OC(F)F)c1	834954068	SWTDSXDVRKDHEM-UHFFFAOYSA-N	323.303	1.972	50	20	DDGD	
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NNc1cccc(OC)n1	907258565	PPMBIWKXLCXELW-WDEREUQCSA-N	307.350	1.513	50	20	DDGD	
COc1cc(OC)c(OC)cc1C=NNC(=O)[C@H]1CCCCO1	834989709	KDXBNZIFCWLTIH-GFCCVEGCSA-N	322.361	1.732	50	20	DDGD	
COCCCOCC(=O)NNc1ccc(C(=O)OC)c(F)c1	837058885	OOIMVZAOWCKBDK-UHFFFAOYSA-N	314.313	1.109	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1oc2c(c1C)C(=O)CCC2	731852518	VNVYGYVLNJVVTQ-UHFFFAOYSA-N	316.317	1.213	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1ccc(Br)s1	833384993	QPXXXRHQIXVTKQ-UHFFFAOYSA-N	320.168	1.618	50	20	DDGD	
Cc1ccc(SCCC(=O)N2CC[C@H](B(O)O)C2)cc1C	585073981	HBXBZKSOKIYFMU-ZDUSSCGKSA-N	307.224	1.861	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H](NC(=O)O)C(C)C)c1ccccc1	736846890	JDWWOVYOYBHDIZ-STQMWFEESA-N	321.377	1.620	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cccc(OCC#N)c1	831291227	LANAFJKXHHSMNO-ZWNOBZJWSA-N	318.333	1.167	50	20	DDGD	
O=C(CCCn1ccnc1)NNc1nc(-c2cccnc2)no1	732109529	IWBWFXRGYBHOQD-UHFFFAOYSA-N	313.321	1.252	50	20	DDGD	
Cc1ccc(F)c2c1CCCN2CC(=O)NNC(=O)C1CC1	733197733	BAFSXGWMNHDINP-UHFFFAOYSA-N	305.353	1.444	50	20	DDGD	
C[C@]1(CNc2nccc(S(C)(=O)=O)n2)C[C@H]1Br	912288757	HBLSARQWLSQFHA-GMSGAONNSA-N	320.212	1.466	50	20	DDGD	
CO[C@H]1CCN(C(=O)NNC(=O)c2ccc(C#N)cc2)C[C@H]1C	836266629	ZTUWLHGERGTJKQ-RISCZKNCSA-N	316.361	1.269	50	20	DDGD	
CCCN1CCC[C@H](C(=O)NNC(=S)N[C@@H](C)C2CC2)C1	912160528	MGLADWJUTJTMRL-AAEUAGOBSA-N	312.483	1.402	50	20	DDGD	
COc1cc(/C=C(/C#N)C(N)=C(C#N)C#N)ccc1OCC#N	916138010	BSOOWJIYKQJVDZ-SDQBBNPISA-N	305.297	1.765	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@@H]1C[C@H](OC(C)(C)C)C1(C)C	839672087	DOASYKFSSXIOFB-UTUOFQBUSA-N	313.442	1.504	50	20	DDGD	
Cc1cc(C(N)=O)ccc1NC(=O)NNC(=O)CC(F)(F)F	918075458	SEEFBPPMYXWMMQ-UHFFFAOYSA-N	318.255	1.199	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(Br)cs1	742382194	LCHUKPBMSFRZKZ-UHFFFAOYSA-N	306.185	1.865	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)NCCc1cccs1	749765311	HNOPUOJIPYOGPM-SECBINFHSA-N	300.453	1.767	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cc(Cl)c2c(c1)OCO2	918366013	PYVGTNOKJRGXEJ-UHFFFAOYSA-N	324.642	1.782	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)CC(F)(F)F	742814809	BWILLVJBAQJTOV-UHFFFAOYSA-N	305.212	1.617	50	20	DDGD	
CCCOc1ccc(C(=O)NN=Cc2ccnn2C)cc1OC	914555171	KUZBYGHBVFEIDW-UHFFFAOYSA-N	316.361	1.981	50	20	DDGD	
O=C1CSc2ccc(C(=O)NNC(=O)C3CCCC3)cc2N1	914845103	NHEVYYBTTNGRJX-UHFFFAOYSA-N	319.386	1.682	50	20	DDGD	
O=C(NNc1cc(O)nc2ncccc12)[C@H]1C[C@@]12CCOC2	913991391	QZRMKDJPVDKHSI-MEBBXXQBSA-N	300.318	1.205	50	20	DDGD	
Cc1ncc2c(n1)CC[C@@H](NC(=O)NNc1cccc(C#N)c1)C2	916317466	PVOIPMMZRXNHNB-CQSZACIVSA-N	322.372	1.840	50	20	DDGD	
C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NN(C)C[C@@H](C)O	910160832	OOUKZEQJJVRRHI-WDEREUQCSA-N	312.797	1.893	50	20	DDGD	
COc1ccc(C(=O)NN=C2CCCn3ccnc32)c(OC)c1	848405315	GPEILHIOVWCVHY-UHFFFAOYSA-N	314.345	1.828	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)Nc1ccc2c(c1)OCO2	741854469	MXOMLCQPFCULPA-QMMMGPOBSA-N	310.379	1.714	50	20	DDGD	
O=C(CNC(=O)c1ccc(O)cc1)NNc1ccc(Cl)cc1	749270937	FPBPTQNFUWOQDH-UHFFFAOYSA-N	319.748	1.919	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCCOc1ccccc1	843641142	RUZIZCAIASPQNI-OCCSQVGLSA-N	306.362	1.418	50	20	DDGD	
Cc1ccc([C@@](O)(CC(=O)NN(C)C[C@H](C)O)C(F)(F)F)o1	910160779	OTILTSQYLOHFNX-UFBFGSQYSA-N	324.299	1.072	50	20	DDGD	
COc1ccc(CCC(C)=NNC(=O)CN2CCCC2=O)cc1	916357963	UYXLLAXDBPSUJM-UHFFFAOYSA-N	317.389	1.742	50	20	DDGD	
CC(C)(C)OC(=O)[C@@]1(C(=O)NNc2cccnn2)CC=CCC1	845935754	FOROKQBGWFEDKD-INIZCTEOSA-N	318.377	1.988	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)[C@@H]2CCO[C@@H]2C)[C@@H](C)C1	842561512	LBVKJJJVSIQOAR-UMSGYPCISA-N	310.394	1.883	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1C(=O)NNc1ccc(CC(=O)OC)cc1	911878349	WEVWIJXDAPSDEG-GDBMZVCRSA-N	318.373	1.826	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)C(C)(C)C)C[C@H](C(F)(F)F)O1	745998668	NLJREYHWSQERBV-JGVFFNPUSA-N	311.304	1.425	50	20	DDGD	
CC(C)(C)c1cccc(C(=O)NNC(=O)Cc2cc[nH]n2)c1	847452452	MFPREIKWHXERSQ-UHFFFAOYSA-N	300.362	1.711	50	20	DDGD	
CNC(=O)NC1CCN(C(=O)[C@@]2(C)C[C@H]2Br)CC1	910472428	MEZHGZYTPFBXOK-SKDRFNHKSA-N	318.215	1.080	50	20	DDGD	
NC[C@H]1CN(C(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)CCO1	846677055	JWZTWDDYXZCZEA-MRBYEJRBSA-N	317.227	1.126	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccccc1C(=O)O	740762993	SCRVFKVSVZYPBX-UHFFFAOYSA-N	305.334	1.140	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCOc1ccc(F)cc1	843646674	WRVMBBVBPOLNJZ-ZWNOBZJWSA-N	310.325	1.167	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H](CCN)C(F)(F)F)cc1	841334972	LZTAIXYCMLAZKC-NSHDSACASA-N	320.315	1.991	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(-n2cccn2)cc1	748259839	XXEGCEOPSLOUPV-ZDUSSCGKSA-N	316.361	1.374	50	20	DDGD	
CO[C@](C)(C1CC1)[C@H](C)NC(=O)NNC(=O)Cc1ccncc1	840422491	BXOXBUCXBYGHKF-ZBEGNZNMSA-N	320.393	1.158	50	20	DDGD	
CO[C@H](C=NNC(=O)Nc1ccc(C(=O)O)cc1)[C@H]1CCOC1	841626118	OAUWGRHBRIQWCR-WCQYABFASA-N	321.333	1.544	50	20	DDGD	
CC(=O)NCCCOC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	920518013	OFKPBINIXHXETA-VGOFMYFVSA-N	314.345	1.182	50	20	DDGD	
CC(=O)NC1(C(=O)NNc2ncc(Cl)cn2)CCCCC1	857728978	GPKGKTZYLAXIOY-UHFFFAOYSA-N	311.773	1.412	50	20	DDGD	
COC[C@H](OC)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	854196364	XCWKFXXVLXTUMR-PCPABOIYSA-N	310.394	1.012	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1C[C@@H](C)N(Cc2ccccc2)C1	757570119	UNRKFHFAENZOMP-CYBMUJFWSA-N	316.405	1.278	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cccc(NC(=O)C(C)C)c1	755636567	DCQJBABRVYCCHG-UHFFFAOYSA-N	322.365	1.470	50	20	DDGD	
Cn1cccc1C(=O)NN=Cc1cnc(N2CCOCC2)s1	755612580	NWAGLVAUYZQQKY-UHFFFAOYSA-N	319.390	1.082	50	20	DDGD	
COc1ccccc1C(=O)NN=Cc1cc(C(N)=O)cs1	755893962	SRKFGPMRNXHYOW-UHFFFAOYSA-N	303.343	1.620	50	20	DDGD	
O=C(CC[C@@H]1CCCCO1)NNC(=O)c1cccc(Cl)n1	857325874	KMSUJTYCCUCUEA-JTQLQIEISA-N	311.769	1.845	50	20	DDGD	
Cc1cn2c(=O)cc(COC(=O)/C(C#N)=C/C3CC3)nc2s1	922674507	KYODRQVONIBCAB-NYYWCZLTSA-N	315.354	1.968	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)c1cocc1C	858129378	PBAFRITVGYKLAM-UHFFFAOYSA-N	318.329	1.827	50	20	DDGD	
C[C@H](NC(=O)NC[C@]1(C)C[C@H]1Br)c1ncn(C)n1	856850031	UWFJSDCOOILZMT-RNSXUZJQSA-N	316.203	1.349	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2cnc(C)n2-c2ccccc2)n[nH]1	755791173	PFLXZKPNKPEONG-UHFFFAOYSA-N	308.345	1.976	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)c1cn[nH]c1)c1ccc(F)cc1	858186477	CYIQEKOUFBJPJZ-UHFFFAOYSA-N	319.340	1.471	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cccc([N+](=O)[O-])c2)nc1	759738848	SGFVWOBVRQLENV-UHFFFAOYSA-N	316.273	1.533	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)NCC[C@H](C)N)c(Cl)c1	857112332	LRAOPDIGDCKIJO-VIFPVBQESA-N	313.789	1.721	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=Cc2nc(C)c(C)[nH]2)c1	853271002	UVBXQGYQQQFCJO-UHFFFAOYSA-N	302.334	1.808	50	20	DDGD	
CCc1nnsc1C(=O)NNc1nc(O)c2ccccc2n1	758300261	SBACLVFYRXOIHH-UHFFFAOYSA-N	316.346	1.506	50	20	DDGD	
COc1cccc(C=NNC(=O)c2cc[nH]n2)c1OC(C)C	853392683	RAQRNDVPCNFQQX-UHFFFAOYSA-N	302.334	1.969	50	20	DDGD	
COC[C@@H](NCC(=O)NNC(=O)c1ccc(C)cc1)C(C)C	754385731	RWPRNESXCADCQN-CQSZACIVSA-N	307.394	1.017	50	20	DDGD	
CCN1C[C@H](C(=O)NC[C@]2(C)C[C@H]2Br)CC1=O	857398972	PUOMCZKNCRBKNO-LNLATYFQSA-N	303.200	1.145	50	20	DDGD	
CC1(C)OCC(NC(=O)NC[C@@]2(C)C[C@H]2Br)CO1	856884826	KYIGRZBGEKYGCF-BXKDBHETSA-N	321.215	1.611	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2cc(Cl)ccc2O)c[nH]1	753164152	YBTDLIZBNDKAAW-UHFFFAOYSA-N	321.720	1.924	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc(Cl)n1	934205618	PVNNLVIKXAKING-SCZZXKLOSA-N	312.757	1.621	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H]1C[C@H]1c1cccnc1)C1CC1	855095612	NEQOQEZGMAHORI-TVYUQYBPSA-N	304.419	1.479	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@@H]1OCCc2ccccc21	855090852	SGJJEBISEIEFRD-CQSZACIVSA-N	319.430	1.596	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)C1=CCCCC1	855833742	YQVKIHQMADQLDU-UHFFFAOYSA-N	309.410	1.577	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc(O)c([N+](=O)[O-])c1)C1CC1	855100291	YPVDBVPKSRRZLL-ZETCQYMHSA-N	324.362	1.208	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccn(CCC(C)C)n1	757715843	RGHVMYHVWZDLOY-UHFFFAOYSA-N	319.369	1.427	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cn(CC(F)F)nc2C)o1	934353733	HDUSLNCRCAHOGM-UHFFFAOYSA-N	312.276	1.433	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cc(Cl)ccc2O)n1	752789326	OHSJJVNVZUCRPK-UHFFFAOYSA-N	321.720	1.524	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(Br)nc1)c1cnn(C)c1	750235826	MRRPMESEXYWVQT-MRVPVSSYSA-N	324.182	1.824	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cn[nH]c1	862474246	HNGNPSPGXSLPRS-IONNQARKSA-N	304.272	1.539	50	20	DDGD	
CCC(CC)[C@@H](C(=O)NN=c1cc[nH]c(C)c1)N1CCOCC1	862513958	WPNKEUYYFMMXPO-INIZCTEOSA-N	320.437	1.392	50	20	DDGD	
Cc1ccc([C@H](C)C=NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1	863077797	LNJOKNHMQNJBCQ-OCCSQVGLSA-N	308.403	1.635	50	20	DDGD	
CC[C@@H](SC)C(=O)OCC(=O)NNC(=O)c1cccs1	767670934	NVLPSQXUUYABEU-MRVPVSSYSA-N	316.404	1.194	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)c2cccc(Cl)c2)n[nH]1	765587568	NTOMRUVCAIXNOI-VIFPVBQESA-N	306.753	1.936	50	20	DDGD	
COCCS(=O)(=O)c1ccc(CNC=C(C#N)C#N)cc1	760991553	ZAJPVJDVXIZACY-UHFFFAOYSA-N	305.359	1.127	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC2CCCC2)c(Cl)n1	930965582	ONLFCOYDNGFGNQ-UHFFFAOYSA-N	312.757	1.630	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CC(C)(C)c2ccc(F)cc2)cn1	865935993	BYWIIBDKBPHWFT-UHFFFAOYSA-N	318.352	1.688	50	20	DDGD	
O=C(c1cccc(Oc2ccccn2)c1)N1CC[C@@H](B(O)O)C1	864230925	GYLPEBCCBZOPJH-CYBMUJFWSA-N	312.134	1.563	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CC(C)(C)c1ccc(F)cc1	865568137	IAEYEFYIVGYIKX-UHFFFAOYSA-N	318.352	1.986	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccoc1Cl	768962609	JQXQRYMKQJJBDF-MRVPVSSYSA-N	316.741	1.672	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)c1ncccn1	762361635	PNLUHVSEPVXFMX-UHFFFAOYSA-N	318.358	1.039	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1ccc(N(C)C(C)=O)cc1	864349605	PYBQYTCTZSBUFH-SDNWHVSQSA-N	301.346	1.729	50	20	DDGD	
O=C(NN=CC[C@@H]1CCOC1)c1nnc(-c2ccccc2)o1	765570794	FAYAOQPCKKRCAS-LLVKDONJSA-N	300.318	1.879	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)CN1CC(=O)N(C)C1=O	861792428	OOWKFMPBSXOQSM-UHFFFAOYSA-N	318.377	1.456	50	20	DDGD	
CN(CC(=O)NNC(=O)Cc1c[nH]c2ccccc12)C1CCC1	863854178	KPVFPGRQRZSFHS-UHFFFAOYSA-N	314.389	1.342	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1cnc2[nH]cnc2c1	763272395	IVGYZSMFKUGNIC-UHFFFAOYSA-N	320.312	1.514	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cc(C2CCOCC2)nn1C	861517782	RCYDGZDBIGXXDM-SNVBAGLBSA-N	323.397	1.513	50	20	DDGD	
O=C(CCCOc1ccc2c(c1)OCO2)NNC(=O)C1CCC1	765490184	JDNRGVVRUIGBOC-UHFFFAOYSA-N	320.345	1.522	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2nccnc2Cl)cc1	1116711195	WYBXDWZASUDAFB-UHFFFAOYSA-N	316.708	1.083	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccnc1)c1sccc1O	769792301	GRSGQZVSFATUOJ-UHFFFAOYSA-N	318.358	1.119	50	20	DDGD	
C=C(CBr)COC(=O)CCc1c(C)ncnc1O	1116876680	CQWWZMUODMAHCI-UHFFFAOYSA-N	315.167	1.918	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@H]2CCC=CO2)nc1C	778424398	PUOVJUBCDFWQGN-LLVKDONJSA-N	306.322	1.098	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C[C@@H](O)c1ccc(Cl)cc1	772567643	UVARDCOSKLWVGP-CYBMUJFWSA-N	321.764	1.563	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1ccc(-n2cccn2)cc1	17575068	ABUACCGQGKLEBI-UHFFFAOYSA-N	322.324	1.653	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@H](OC)C(C)C	873769161	LRXDBFCMJBLZSW-GFCCVEGCSA-N	311.407	1.684	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)COc1cc(C)cc(C)c1)C(C)C	770211846	KYQLQAGTANLHQG-HNNXBMFYSA-N	308.378	1.501	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NCC1CC=CC1	875797732	AGTPWJLZKBOPQC-UHFFFAOYSA-N	317.389	1.924	50	20	DDGD	
CC[C@@H](C)[C@@H](C)C(=O)NNC(=O)Cn1cnc2ccccc21	779868215	WQHASSLHPUEVKY-VXGBXAGGSA-N	302.378	1.866	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)c3ccc(F)c(F)c3)nc21	770979790	JLWKIZOZJXOBER-UHFFFAOYSA-N	320.259	1.104	50	20	DDGD	
CC(C)[C@H]1CC[C@H](C(=O)NNC(=O)N2CCN(C)CC2)CC1	773672747	INQDJMPDMOIGPD-HDJSIYSDSA-N	310.442	1.437	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(-c2cnn(C)c2)o1	887150460	LNBVOBSTXARSKI-UHFFFAOYSA-N	300.318	1.245	50	20	DDGD	
COC(=O)COc1ccc(NC(=O)NNc2ccccn2)cc1	779018916	JCFBSMXEMPNKMS-UHFFFAOYSA-N	316.317	1.782	50	20	DDGD	
COC(=O)C(C)(C)Cc1cn(/C=C/CBr)nn1	881296092	YNKYKIQVIQVNAE-GQCTYLIASA-N	302.172	1.885	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(S(C)(=O)=O)c1)C(F)(F)F	776529882	OWULELTZKWUFQH-ZETCQYMHSA-N	310.297	1.732	50	20	DDGD	
Cc1cccc(C(=O)NNc2nc(O)c3cnn(C)c3n2)c1F	770990119	LPEQJLSWLAXURY-UHFFFAOYSA-N	316.296	1.273	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)C1(O)CCOCC1	773468346	NBGKEBXQKATYLN-UHFFFAOYSA-N	315.713	1.233	50	20	DDGD	
CCCCNC(=O)[C@H]1CCCN(S(=O)(=O)CCCCl)C1	881844662	QLHMCHBBXLRJAD-LBPRGKRZSA-N	324.874	1.573	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NNc2c(F)cc(F)cc2F)C1	885151811	NUYCMJSUEKYDSZ-MRVPVSSYSA-N	315.295	1.806	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)C1(C(=O)NC2CC2)CCC1	885110541	HNUXWDSEKRQXBS-UHFFFAOYSA-N	309.316	1.857	50	20	DDGD	
COC(=O)[C@@H](Cc1ccc(F)cc1)NNC(=O)c1ccc[nH]1	783573012	OSRUKDKTBLSDSI-CYBMUJFWSA-N	305.309	1.173	50	20	DDGD	
CO[C@H]1CCC[C@@H]1C(=O)NNc1ccc2c(=O)[nH]ccc2c1	1120647073	CHZKKYBMYNOZLE-KBPBESRZSA-N	301.346	1.786	50	20	DDGD	
CCN(c1cccc(O)c1)[C@H](C)C(=O)NNC(=O)CC(C)C	789456668	BXTHRDAVPHEQTE-GFCCVEGCSA-N	307.394	1.801	50	20	DDGD	
CC(C)CN1CCC[C@H]1C(=O)NNc1nncc(N)c1Cl	1120618618	PYWMUKPQVZURRC-JTQLQIEISA-N	312.805	1.276	50	20	DDGD	
CC(=O)N1CCN(C(=O)[C@@H](Br)C(C)(C)C)CC1	781066836	NYUTWLFQSDEBOH-SNVBAGLBSA-N	305.216	1.487	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1cc(O)c(O)c(Br)c1	785460788	LVDQMTZCPWXBJH-UHFFFAOYSA-N	317.139	1.081	50	20	DDGD	
CC(C)(O)CCC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	787358803	WKKJYPWFVOVPJN-UHFFFAOYSA-N	316.361	1.184	50	20	DDGD	
CC(C)C(=O)NNC(=O)NC[C@@H]1CCCN(c2ccccc2)C1	789319532	WEYYSJRGZURTIZ-AWEZNQCLSA-N	318.421	1.889	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1nc(C)c(C)s1	789778145	DXKXKJZHUIKCGW-UHFFFAOYSA-N	305.363	1.545	50	20	DDGD	
N#CC1=CCN(C(=O)CNC(=O)c2c(F)cccc2Cl)CC1	780689003	QPGHKSUXLUMUGP-UHFFFAOYSA-N	321.739	1.891	50	20	DDGD	
CCCC(=O)N1CCC[C@H]1C(=O)NNC(=S)NC(C)(C)C	899992415	WKCODBCCGVLGQC-JTQLQIEISA-N	314.455	1.071	50	20	DDGD	
COc1cncc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])n1	790585226	FFCAAEVRHQOJFG-UHFFFAOYSA-N	307.241	1.289	50	20	DDGD	
COCCO[C@@H]1CCCN(C(=O)NCCSSC)C1	790878041	GOPCIJFULMAAAB-LLVKDONJSA-N	308.469	1.835	50	20	DDGD	
CSSCCNC(=O)NNC(=O)c1ccccc1F	790846021	AZVWAXKACRYJIX-UHFFFAOYSA-N	303.384	1.781	50	20	DDGD	
CSSCCNC(=O)N[C@H](C)[C@H](C)N1CCOCC1	790731318	JSYWUFRRCJGUIF-MNOVXSKESA-N	307.485	1.406	50	20	DDGD	
CSSCCNC(=O)N[C@H]1CCC[C@H](C(=O)N(C)C)C1	790879079	NHLKUVINXOLZQC-QWRGUYRKSA-N	319.496	1.944	50	20	DDGD	
O=C(NNC(=O)c1nc(Br)ccc1F)NC1CC1	792084387	QRPFBXMUMURXTH-UHFFFAOYSA-N	317.118	1.090	50	20	DDGD	
CNC(=O)NNC(=O)c1nc(COC)sc1-c1ccccc1	799578341	UVWPIPYXOXDHGH-UHFFFAOYSA-N	320.374	1.530	50	20	DDGD	
CC[C@@H]1C[C@H]1NC(=O)NNC(=O)COc1ccc(C#N)cc1	798120648	PQFCMUJYGJYCTQ-DGCLKSJQSA-N	302.334	1.066	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1ccnc(N(C)C)c1	798311780	HAQKCZYEIVGLQZ-UHFFFAOYSA-N	313.361	1.923	50	20	DDGD	
C[C@H]1CCC[C@H]1CNC(=O)NNC(=O)COc1ccc(F)cc1	798510651	ADBFFRSQEQWRIW-RYUDHWBXSA-N	323.368	1.971	50	20	DDGD	
CC(C)Nc1ccc(C(=O)NNc2nncc(N)c2Cl)cn1	1319237310	WYSYLNPUOHMVAD-UHFFFAOYSA-N	321.772	1.684	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cnn(C)c1)c1ccc(F)c(F)c1	1318763512	IUUIDXXRYTYPQX-QMMMGPOBSA-N	308.288	1.263	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@H]2COc3ccccc32)c1Cl	1319217998	BDLGAAZXACLATM-QMMMGPOBSA-N	305.725	1.332	50	20	DDGD	
O=C(c1cc(Br)cs1)N1CC[C@H](B(O)O)C1	585077346	RLAPLNLYBHMCIK-LURJTMIESA-N	303.974	1.200	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(N2CCCC2=O)c(C)c1	1323811605	MKELIPOJIUKBFE-UHFFFAOYSA-N	304.350	1.685	50	20	DDGD	
CC(=O)c1cc(NC(=O)NNC(=O)C2CCNCC2)ccc1C	1326847787	USRAYTRWNVDLJA-UHFFFAOYSA-N	318.377	1.350	50	20	DDGD	
COc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCl)cc1	1323268427	CPEZXSZKFARNBV-LLVKDONJSA-N	314.794	1.774	50	20	DDGD	
CC(=NNC(=O)C[N+](C)(C)C)c1ccc(F)cc1OC(F)F	1321220588	RAZFRXUPKCWJES-UHFFFAOYSA-O	318.319	1.974	50	20	DDGD	
CN[C@H](C)CCNC(=O)NNC(=O)C(C)(C)c1ccccc1	1327486490	LRQHSHXLFUZBFH-GFCCVEGCSA-N	306.410	1.293	50	20	DDGD	
CC(=O)N1Cc2ccc(NC(=O)NNc3ncccn3)cc2C1	1321393773	HIFVKAYCGFKLRZ-UHFFFAOYSA-N	312.333	1.487	50	20	DDGD	
Cc1noc(C2CC2)c1NC(=O)C(=O)NNc1cccc(F)n1	1323053973	IBDYYQCIBJRICJ-UHFFFAOYSA-N	319.296	1.476	50	20	DDGD	
O=C(NC1CCCCC1)NC1CCN(C(=O)CCl)CC1	1323270430	SUYVBNOKPDYQGT-UHFFFAOYSA-N	301.818	1.848	50	20	DDGD	
Cc1ccc(O)c2c1[C@H](C)CC2=NNC(=O)[C@H]1CCC(=O)N1	1331723880	ZWAYYBUDYILTER-NXEZZACHSA-N	301.346	1.307	50	20	DDGD	
CSCC1(CC(=O)NNc2nncc(N)c2Cl)CC1	1332594478	ORFIJOPLIDMQAT-UHFFFAOYSA-N	301.803	1.689	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1Cl)N[C@H]1CCOC1=O	1346113381	GPZZWHZGSYHJGO-VIFPVBQESA-N	304.133	1.935	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc(OCC2CC2)nc1	1349786041	IGTWLWNIMIYDQD-UHFFFAOYSA-N	319.361	1.058	50	20	DDGD	
CC[C@@H](F)C(=O)NNC(=O)c1cc(-c2ccc(C)cc2)[nH]n1	1346711088	IIVILRATSYTBRE-LLVKDONJSA-N	304.325	1.894	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H](C)c1cc2ccccc2s1	1343385282	YETVYWYULBPWEI-QMMMGPOBSA-N	321.358	1.466	50	20	DDGD	
CC1(C)C[C@H](C(=O)NNC(=O)c2cccc(C#N)c2)CCO1	1353565163	MEHBPFWKTUDQRU-CYBMUJFWSA-N	301.346	1.524	50	20	DDGD	
O=C1N[C@H]2CN(C[C@@H](CBr)C3CC3)CC[C@@H]2CO1	1351407478	JDOXKUZWRUKVSH-UTUOFQBUSA-N	317.227	1.838	50	20	DDGD	
O=C(NN[C@@H](C(=O)O)c1ccsc1)c1ccc([N+](=O)[O-])cc1	1601557849	XAKBBIMXPXHSGQ-LLVKDONJSA-N	321.314	1.717	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(C(=O)O)c(F)c1)c1ncnn1C	1604292201	TTWMJJNCZDYUAF-ZETCQYMHSA-N	322.300	1.040	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)N[C@@H]2CO[C@H](C3CC3)C2)cc1	1602127853	CCPXAOQSHHAPER-KBPBESRZSA-N	319.361	1.507	50	20	DDGD	
CN(NC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl)C1CC1	1609281456	GQOBGADSQGIHHC-UHFFFAOYSA-N	307.745	1.651	50	20	DDGD	
Cc1ccc(NNC(=O)c2cnn(C)c2Cl)cc1C(=O)O	1600463805	RUMMVJWTEXEBRK-UHFFFAOYSA-N	308.725	1.837	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cnc3[nH]c(O)nc3c2)c1	1608936278	KAVKLOWMBUTWTC-UHFFFAOYSA-N	313.273	1.119	50	20	DDGD	
N#C/C(=C\c1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CCCOC1	1606335574	ASJMOVWNBJSDCB-SJWLEHQBSA-N	309.329	1.769	50	20	DDGD	
O=C(O)COc1cccc(C(=O)NNc2ncccc2F)c1	1602091662	OAOWGWTVLBHESL-UHFFFAOYSA-N	305.265	1.441	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCS1)Nc1ccc(C(=O)O)s1	1601553392	GAVZKLYPAUULOK-ZCFIWIBFSA-N	315.376	1.495	50	20	DDGD	
C/C(=C\C(=O)NNc1ccc(-c2nn[nH]n2)cn1)C(C)(C)C	1602899709	HLASRQVTQIWDHQ-VQHVLOKHSA-N	301.354	1.697	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCC2(CC(=O)O)CCCC2)cn1	1600945152	GBDYICCPRQBGPR-AWNIVKPZSA-N	316.361	1.478	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NOCCCC(=O)O)cc1	1605685411	QPEJPNPNECPVSA-JLHYYAGUSA-N	318.329	1.905	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@H](C)C1CCOCC1	1610286205	SMOWKPKHAPIILU-JTQLQIEISA-N	322.361	1.899	50	20	DDGD	
N#Cc1cccc(C2(C(=O)NNc3ccc(C(=O)O)cn3)CC2)c1	1610632579	YZWBUJVBFJAUOL-UHFFFAOYSA-N	322.324	1.826	50	20	DDGD	
Cc1c[nH]nc1C=NNC(=O)[C@H]1CCCO[C@H]1c1nccn1C	1549316638	QIPWJMAQCQQEQG-WCQYABFASA-N	316.365	1.070	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@H]1C(=O)NN=Cc1cccnc1	1549314558	IJIPLCYXXWENAP-HIFRSBDPSA-N	313.361	1.433	50	20	DDGD	
O=C(O)c1occc1C=NNC(=O)[C@H]1Cc2ccccc2O1	1610873205	PPSZXQGCINMSQY-GFCCVEGCSA-N	300.270	1.432	50	20	DDGD	
Cc1n[nH]cc1C=NNC(=O)[C@H]1CCCO[C@H]1c1ccnn1C	1549317351	VAPQATCYRLMNLW-GXTWGEPZSA-N	316.365	1.070	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CCN[C@H](C)C2)c([N+](=O)[O-])c1	1579230729	YANAGXCKEHXGDW-NXEZZACHSA-N	308.338	1.435	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H](C(C)C)[C@@H](C)N)c1	1579672614	JXXWDZZFYSHDDX-CJNGLKHVSA-N	321.421	1.449	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cccc3c2CCN3)c1Cl	1580466170	FNQBQWXGAWLIBF-UHFFFAOYSA-N	304.741	1.437	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)[C@H]2CCCCO2)C1	1841103317	FJRDUAYEKBDURL-MNOVXSKESA-N	318.776	1.293	50	20	DDGD	
Cc1cc(=NNC(=O)/C=C\c2ccccc2-c2nn[nH]n2)cc[nH]1	1592053674	OHFVXLQIFMLXHB-SREVYHEPSA-N	321.344	1.149	50	20	DDGD	
C[C@H](CC=NNC(=O)CN1CCCc2ccccc21)C(=O)O	1592464553	UUICIBAJGCBECG-GFCCVEGCSA-N	303.362	1.652	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)N[C@H]2CC=C(C(=O)O)C2)nn1	1590493774	PGYGRDROVPCCQN-JTQLQIEISA-N	319.365	1.574	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)C(=O)c1ccccc1	1599376262	OGAVJPRIWJWFHW-UHFFFAOYSA-N	314.297	1.719	50	20	DDGD	
COc1noc(C)c1C=NNC(=O)c1ccc(C(=O)O)cc1	1776101767	XRAUXCATSBOPGU-UHFFFAOYSA-N	303.274	1.454	50	20	DDGD	
C[C@@H]1C(=NNC(=O)c2ccc(O)nn2)CC[C@H](C(=O)O)C1(C)C	1776047696	BQXCMDRBNAEBFH-RKDXNWHRSA-N	320.349	1.425	50	20	DDGD	
CC(=NNC(=O)c1cccc(C(=O)O)c1)c1cnc(N)s1	1776095967	DOTBMGDPUBUVQZ-UHFFFAOYSA-N	304.331	1.578	50	20	DDGD	
CC(CC1(O)CCOCC1)=NNC(=O)c1cccc(C(=O)O)c1	1776096282	SXISLMKWNAGWOI-UHFFFAOYSA-N	320.345	1.422	50	20	DDGD	
Cc1nn(C)c(C)c1OCC(=O)NNc1nccnc1Cl	162946327	VCYGJGGOERYPSC-UHFFFAOYSA-N	310.745	1.002	50	20	DDGD	
C[C@H]1CCC[C@H](C(=O)NNC(=O)COc2ccc(C#N)cc2)C1	158377414	UBJSYPDLBRLXJW-JSGCOSHPSA-N	315.373	1.911	50	20	DDGD	
CCC[C@H](O)CNS(=O)(=O)c1ccc(CCCl)cc1	158678797	KMYFMZRDMKXBNS-LBPRGKRZSA-N	305.827	1.907	50	20	DDGD	
Cc1c(C(=O)NNc2ccc(-c3ccccc3)nn2)cnn1C	163107372	HONIWEKXMHYUDI-UHFFFAOYSA-N	308.345	1.942	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2nc(C(F)(F)F)cs2)CCN1	152289852	SRNFCLGEQUPAGD-RXMQYKEDSA-N	308.285	1.131	50	20	DDGD	
CN1CCO[C@@H](C(=O)NNc2ccc(C(F)(F)F)cc2)C1	153663601	JQYZJHDTHXKAQI-LLVKDONJSA-N	303.284	1.479	50	20	DDGD	
COc1ccc(NNC(=O)c2cccc(-n3cccn3)n2)nc1	159615568	RDORTXPMPFLZFD-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
O=C1COc2ccc(NS(=O)(=O)CCCCCl)cc2N1	228333113	IQBQSHBQLGWDST-UHFFFAOYSA-N	318.782	1.778	50	20	DDGD	
CSSCCNC[C@](C)(O)CNC(=O)OC(C)(C)C	496407640	VLXFCUQGDFLZKA-LBPRGKRZSA-N	310.485	1.863	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Nc1ccn(C)n1	10585403	CXQVCIZYGYFIGQ-VIFPVBQESA-N	321.312	1.179	50	20	DDGD	
CCC[C@H](C)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1	103420549	IVZMMPISGBZZPD-LBPRGKRZSA-N	319.409	1.277	50	20	DDGD	
CN(C)N(C(=O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1	58581763	XWCQXVGRUAPVBE-SNVBAGLBSA-N	316.810	1.446	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@H]2C[C@H]2C2CC2)cc1	176882731	GUAPYSDXWNTPIS-GJZGRUSLSA-N	302.374	1.821	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN(Cc2ccccc2)C1)NC1CC1	58861843	AUPSLDDGECUHEP-AWEZNQCLSA-N	316.405	1.391	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCC(=O)c1ccccc1	109858420	SSHLJZLXPRICPY-UHFFFAOYSA-N	300.318	1.142	50	20	DDGD	
Cc1nc(CNC(=O)NNC(=O)c2ccccc2)sc1C	174778394	XREQRTQFHWKHSL-UHFFFAOYSA-N	304.375	1.904	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(C)n(C(C)(C)C)n2)n1	52582301	KJJGGVGJPDMABL-UHFFFAOYSA-N	304.354	1.502	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)NCc2cc[nH]n2)c(Cl)c1	174057223	OCTOOXQTNCKEDC-UHFFFAOYSA-N	322.756	1.907	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cccnc2C)c(C)c1	170994748	WNASWSBJVBZVQM-UHFFFAOYSA-N	312.373	1.880	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCCO1)C(=O)NNC(=O)OC(C)(C)C	66306923	ULVASBYMXFCJAR-MNOVXSKESA-N	302.371	1.517	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cn1	117679304	DYUUKTZUASJLFM-SCZZXKLOSA-N	318.299	1.550	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)c2ccccc2O)cn1	111887321	XABUEBBGFMPUBD-UHFFFAOYSA-N	314.345	1.282	50	20	DDGD	
C[C@H]1CC[C@H](CCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)O1	174929653	DQEUQIQOOXLBKX-GXFFZTMASA-N	321.333	1.704	50	20	DDGD	
C[C@@H](CO)CSCC(=O)NNC(=O)c1ccc(Cl)cc1	173309125	TWJWDIZCTBUBEJ-VIFPVBQESA-N	316.810	1.463	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCC[C@H]1C[C@H]2CC[C@@H]1C2	170881954	XWNADDQJRWICST-CFVMTHIKSA-N	316.405	1.781	50	20	DDGD	
Cn1cc(CCCNC(=O)NNc2cncc(Cl)n2)cn1	171341601	XAFCEZOAFZVWSI-UHFFFAOYSA-N	309.761	1.122	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)c1ccc[nH]1)N1CCCCC1	126678270	OWLYFPLCJXNKPL-UHFFFAOYSA-N	307.398	1.223	50	20	DDGD	
CSSCCNC(=O)NC[C@@H]1CC2(CCNCC2)CO1	1350203657	NUTPMMQCZVBVMT-NSHDSACASA-N	319.496	1.456	50	20	DDGD	
CCCN1CCC[C@H]1C(=O)NNC(=O)c1c[nH]c2ccccc12	123897625	IEJDOUUIDQLUPC-HNNXBMFYSA-N	314.389	1.803	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2c(F)ccc(F)c2OC)n1	124104861	YMYDUQGWGFIPDQ-UHFFFAOYSA-N	324.287	1.837	50	20	DDGD	
O=C(CN1CCCCCCC1=O)NNc1nnc(C2CC2)s1	184509181	LXLYCQBYISSVMZ-UHFFFAOYSA-N	323.422	1.651	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)n1	127967260	VLXKDIABAKWOCB-VXGBXAGGSA-N	304.398	1.345	50	20	DDGD	
Cc1ccc(-n2nc(C(=O)NN(C)C(N)=O)c3c2CCC3)cc1	181073961	LTQNRJJGMNIHLG-UHFFFAOYSA-N	313.361	1.325	50	20	DDGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)[C@H]1CCCO1	32257373	VEVBEIWPCFSHHS-LLVKDONJSA-N	314.794	1.759	50	20	DDGD	
C[S@@](=O)Cc1ccccc1NC(=O)NNC(=O)C(C)(C)C	184312548	SCJATYVRKJRFCV-OAQYLSRUSA-N	311.407	1.764	50	20	DDGD	
O=S(=O)(CCCCCl)NCc1cnc2n1CCCC2	375116783	ZMESCGJIXXGJAK-UHFFFAOYSA-N	305.831	1.658	50	20	DDGD	
CO[C@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccccc1F	75099989	SMTKMYDCNZPXTE-OLZOCXBDSA-N	309.341	1.727	50	20	DDGD	
CCCCCCCCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1	127842494	SVFNMYAFCOSITA-LBPRGKRZSA-N	318.439	1.319	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1occc1COc1ccccc1	75653475	VHZHFFKENQFZCY-UHFFFAOYSA-N	317.345	1.181	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)c2ccccc2)cc1F	75689033	GIIYCINHVDBMHR-UHFFFAOYSA-N	317.320	1.979	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1ccc(F)cn1	182646060	YRFHXLVWTCXNCK-UHFFFAOYSA-N	318.308	1.102	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)CNC(=O)Cc1ccccc1	184358187	PWFOURXKYVVGTQ-UHFFFAOYSA-N	315.348	1.936	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)c2cc(C)n[nH]2)cc1F	184499620	PYMHLYHIJRVUAM-UHFFFAOYSA-N	321.312	1.722	50	20	DDGD	
CC1(C)CN(S(=O)(=O)CBr)CC(C)(C)O1	226437543	JABUXBBKSREPRB-UHFFFAOYSA-N	300.218	1.558	50	20	DDGD	
Cn1cc(CCC(=O)NNC(=O)C(C)(C)O)c2ccccc21	190063706	BVNGTGSUIFMYFT-UHFFFAOYSA-N	303.362	1.029	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2csc([N+](=O)[O-])c2)c(O)c1	194266319	SEHJCJPQFNTESO-UHFFFAOYSA-N	321.314	1.745	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNc1ccc(C(F)(F)F)cn1	132013222	BUHHCKMJGBVTJO-SSDOTTSWSA-N	305.256	1.743	50	20	DDGD	
O=C(C[C@@H]1CSCCS1)NNc1nc2ccccn2n1	191894012	QEJLNTRMFTVEEW-SECBINFHSA-N	309.420	1.411	50	20	DDGD	
Cc1nc(Cl)ccc1NC(=O)NNC(=O)Cc1cc[nH]n1	194698924	QHENIPGREYIIDL-UHFFFAOYSA-N	308.729	1.162	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(C)c(OC)c(C)c1	132071523	ZAQAKBXGCFAFCS-UHFFFAOYSA-N	302.334	1.868	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cc(-n2cccn2)ccn1	134479817	ORTLYGYCSBVTRP-UHFFFAOYSA-N	303.322	1.437	50	20	DDGD	
CC(C)(C)C(=O)Cn1cc(C(=O)NNc2ccc(F)cc2)nn1	81244760	ORJCSNXROPNVCU-UHFFFAOYSA-N	319.340	1.789	50	20	DDGD	
C[C@H](CNC(=O)/C(C#N)=C\c1ccc(O)cc1)Cn1ccnc1	194679385	MRDRSDHPQOZYMD-ATDKOCKZSA-N	310.357	1.948	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NNC(=O)c2ccccc2)n1	193968466	LEYYCHZPHZWMHO-UHFFFAOYSA-N	300.322	1.065	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2c(C)ccn2C)nc1C	190435687	CHUXZAYLCUERFJ-UHFFFAOYSA-N	317.349	1.366	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NNc2ccc(Cl)nn2)cc1	91992300	NTJCHIYHKLWQOH-UHFFFAOYSA-N	320.740	1.638	50	20	DDGD	
O=C(CC[C@@H]1CCCO1)NNc1nc(-c2cccnc2)no1	263947026	JIFJNNLVLXSVDR-NSHDSACASA-N	303.322	1.534	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)CCC[C@@]2(C)NC(=O)NC2=O)c1	269579573	IWKIYXAVEWSKOL-MRXNPFEDSA-N	318.377	1.515	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCCc1ccc(NC(=O)OC)cc1	265593145	BMEBJBZNERZBMQ-ACCUITESSA-N	317.345	1.968	50	20	DDGD	
CC(C)(C)C(=O)NCc1ccc(C(=O)NNC(=O)C2CC2)cc1	266094651	RKJZEBRGWFUXLO-UHFFFAOYSA-N	317.389	1.520	50	20	DDGD	
CN(C)Cc1ccsc1C(=O)NNC(=O)NCc1ccco1	268162391	TVRQVJOPSWDRSZ-UHFFFAOYSA-N	322.390	1.547	50	20	DDGD	
CS[C@H](C)CNC(=O)NNC(=O)COc1ccccc1C#N	269910770	OZKYFMSVEWEHFI-SNVBAGLBSA-N	322.390	1.019	50	20	DDGD	
O=C(NNC(=O)c1cccc(OCC(F)(F)F)c1)NC1CC1	269326597	PPUGPPFGRVZTSX-UHFFFAOYSA-N	317.267	1.734	50	20	DDGD	
CC[C@H](C)Oc1ccc(C(=O)NNC(=O)C(=O)NC(C)C)cc1	267485064	UZJARTAFNXRSCA-NSHDSACASA-N	321.377	1.150	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	366845063	DCULDWRURJEKEP-MXWKQRLJSA-N	311.382	1.683	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H]2CCC(=O)[C@@H](C)C2(C)C)n1	275674306	QAYMJRJZNRSPNH-ZJUUUORDSA-N	306.366	1.570	50	20	DDGD	
CC(=O)Nc1cc(NC(=O)NNC(=O)C2CCC2)ccc1F	272338558	MBUBXERPLOJHJO-UHFFFAOYSA-N	308.313	1.737	50	20	DDGD	
C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CC=C(C#N)CC1	273657355	BVMZHXDODVEPFY-SECBINFHSA-N	304.379	1.171	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H](C(=O)NNC(=O)c2cccnc2)C1(C)C	275458442	JVNSFHWJZVDDMD-PWSUYJOCSA-N	303.362	1.484	50	20	DDGD	
CCN1CCOC[C@H]1C(=O)NNc1ccc(C(F)(F)F)cc1	362233096	DTQXFTKYYZOKKE-LBPRGKRZSA-N	317.311	1.869	50	20	DDGD	
CC(=O)NCc1ccc(NC(=O)NNC(=O)C2CCC2)cc1	272871635	UXBYRDOGRJGKMQ-UHFFFAOYSA-N	304.350	1.276	50	20	DDGD	
O=C(C[C@H]1C=CCCC1)NNC(=O)Cn1cnc2ccccc21	275037736	LTVTYUXPPKBNHE-ZDUSSCGKSA-N	312.373	1.930	50	20	DDGD	
CCc1ncsc1NC(=O)C(=O)NNC(=O)OC(C)(C)C	274174474	HGDQXBLAHPUPQP-UHFFFAOYSA-N	314.367	1.200	50	20	DDGD	
CCC(CC)N1C[C@H](C(=O)NNc2ncccc2C)CC1=O	276753568	QGELSUHZTQPEIP-GFCCVEGCSA-N	304.394	1.870	50	20	DDGD	
CC(C)n1cccc1C(=O)NNc1nc(O)c2cnn(C)c2n1	270721403	KONGEPPISYYSJB-UHFFFAOYSA-N	315.337	1.208	50	20	DDGD	
COCC1(O)CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)CC1	279657515	CAYDXBDPGYLMKW-UVTDQMKNSA-N	316.357	1.299	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)COc2ccc(F)cc2)CCO1	272069435	LENDMQYIGTXQGU-MNOVXSKESA-N	310.325	1.167	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NNc2nc3ccccc3c(=O)n2C)O1	282714617	LQFFDBPCESHSQK-GIPNMCIBSA-N	316.361	1.190	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cc([C@H]2CCCOC2)nn1C	280077511	ICCZPPFXURZBHA-NSHDSACASA-N	323.397	1.513	50	20	DDGD	
COCCOC1CCC(C(=O)NNc2ccnc(F)c2)CC1	281123120	IHFGSSNFYGMGLP-UHFFFAOYSA-N	311.357	1.886	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1ccc(C(C)=O)cc1	285096314	GZKFQEXZUJGWCK-UHFFFAOYSA-N	312.416	1.955	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cnn(-c2ccccc2OC)c1C	286486426	VRDUGRCSNSWILZ-UHFFFAOYSA-N	318.333	1.532	50	20	DDGD	
COCCN(C)NC(=O)/C=C/c1cc(Cl)c2c(c1)OCO2	288471133	KPAMXUQYRNYJQL-ONEGZZNKSA-N	312.753	1.691	50	20	DDGD	
CC[C@@H]1CN(CC(=O)NNC(=O)c2ccc(F)cc2)CCCO1	281483913	SOUVJEBYLCAEHD-CQSZACIVSA-N	323.368	1.088	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CN1CSCC1=O	299692383	RTPTXMWLNNQLID-UHFFFAOYSA-N	312.303	1.042	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccccc1OC1CC1	295274648	CBPUZBMWKLZYEZ-CQSZACIVSA-N	304.346	1.558	50	20	DDGD	
COC(=O)Cc1occ(C)c1C(=O)NNc1ccc(OC)cn1	290864571	ZTEHQWCRPOQUMV-UHFFFAOYSA-N	319.317	1.464	50	20	DDGD	
COc1ccc(F)cc1C(=O)NNC(=O)N=c1cc[nH]cc1	802031754	ISBLADYVVDPFTL-UHFFFAOYSA-N	304.281	1.118	50	20	DDGD	
O=C(NNC(=O)c1ccc(-n2ccnc2)cc1)NC1CCCC1	299376893	XTXHNEWGWQQLCR-UHFFFAOYSA-N	313.361	1.759	50	20	DDGD	
CCOc1ccc(NNC(=O)c2c([N+](=O)[O-])c(C)nn2C)cc1	294350478	NHLWPQSINYDAFP-UHFFFAOYSA-N	319.321	1.792	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1conc1C1CC1	290784225	LZFLXKUDNHMFGT-UHFFFAOYSA-N	301.302	1.635	50	20	DDGD	
CCOCCO[C@H](C)C(=O)Oc1ccc([N+](=O)[O-])cc1OC	299619170	FWWPFJBPIVDSQA-SNVBAGLBSA-N	313.306	1.950	50	20	DDGD	
Cc1oc(-c2ccco2)nc1CC(=O)NNC(=O)CC1CC1	294050460	FQCFOWSGBKBHGY-UHFFFAOYSA-N	303.318	1.733	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccccn2)c(C)c1OC	804143423	CVFCTLWJLBUIMC-UHFFFAOYSA-N	315.329	1.482	50	20	DDGD	
CC(C)(C)CCCCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1	804185043	TVFVTCRKGUOQOA-LLVKDONJSA-N	318.439	1.175	50	20	DDGD	
CO[C@@H](C)CC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	802045104	JYNQXVWUCHRQQM-QMMMGPOBSA-N	317.292	1.866	50	20	DDGD	
CN(NC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)OC(C)(C)C	297332259	RYSHTSKXNNJNAV-UHFFFAOYSA-N	310.310	1.689	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1ccc2cncn2c1	806354705	HVLAYOSAAASPBH-UHFFFAOYSA-N	309.329	1.207	50	20	DDGD	
Cc1ccc([C@H](C)NC(=O)NNC(=O)[C@@H]2CCCO2)c(C)c1	292086886	YJOUTKJSJWTUGR-JSGCOSHPSA-N	305.378	1.874	50	20	DDGD	
CC[C@@H]1[C@@H](C(=O)NNc2nnc[nH]2)CCN1C(=O)OC(C)(C)C	298451858	PXSMUODLAZAPDE-VHSXEESVSA-N	324.385	1.283	50	20	DDGD	
O=C(Cc1ccccc1)NCCC(=O)NNc1cccc(F)n1	804767411	LPNUZPINGSBQSF-UHFFFAOYSA-N	316.336	1.413	50	20	DDGD	
C=CCC(C)(C)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1	292370334	GLTOBLWZMMQAKE-UHFFFAOYSA-N	314.349	1.026	50	20	DDGD	
COCCCNC(=O)NNc1ncnc(Cl)c1C(C)C	298113395	BDEWMLZECHZSJQ-UHFFFAOYSA-N	301.778	1.916	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)/C=C\c1ccccc1	808045938	SPDYTOBCNIXHHN-QXMHVHEDSA-N	306.362	1.636	50	20	DDGD	
C/C(=C\C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)c1ccccc1	298822851	PEBCMSOMOUMZHD-HFBDAHEESA-N	322.430	1.582	50	20	DDGD	
COC1(CNC(=O)NNC(=O)Cc2ccc(F)cc2)CCCC1	296739864	HPDSGLUGERZZCA-UHFFFAOYSA-N	323.368	1.658	50	20	DDGD	
O=C(O)CCNC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	819492655	XKNBROJDFKISDU-UHFFFAOYSA-N	319.239	1.124	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(CN2CCCC2)on1	813423714	LUXPHSIQAHQTDM-UHFFFAOYSA-N	309.370	1.015	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc([N+](=O)[O-])c(C)cc1C	817525489	PCDSODVCAYRGER-UHFFFAOYSA-N	324.337	1.192	50	20	DDGD	
CCC(C)(C)CNC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1351173131	BNGOQSKVGVXIFY-ZANVPECISA-N	319.243	1.829	50	20	DDGD	
COC(=O)c1[nH]c(C)c(C(=O)NNc2ncncc2F)c1C	817077316	KDTORYPIGWXUQJ-UHFFFAOYSA-N	307.285	1.104	50	20	DDGD	
Cn1nc(CC(=O)NNC(=O)CC2CCCC2)c2ccccc21	817711871	NFQGYDYJJJGSFR-UHFFFAOYSA-N	314.389	1.844	50	20	DDGD	
CS(=O)(=O)Nc1ccc(C(=O)NCC(Cl)Cl)cc1	816605312	UFTWQABVEYDLTN-UHFFFAOYSA-N	311.190	1.592	50	20	DDGD	
COc1ccc(CC(C)=NNC(=O)c2cnccn2)cc1OC	818285965	LXWICIIXJMBRTC-UHFFFAOYSA-N	314.345	1.842	50	20	DDGD	
COc1ccc(NCC(=O)NN=C(C)c2ccc(N)nc2)cc1	814708153	FSYQAJFPXXYLDS-UHFFFAOYSA-N	313.361	1.625	50	20	DDGD	
CO[C@](C)(C=NNC(=O)c1ccc(-n2cnnn2)cc1)C1CC1	814756457	OSNQXHIEUSSTIF-OAHLLOKOSA-N	314.349	1.193	50	20	DDGD	
CC(C)(C)c1ncsc1C(=O)NNC(=O)c1ccnnc1	817693731	VRIQBGVDSOEYDP-UHFFFAOYSA-N	305.363	1.305	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@H]1CCCOC1	819036734	GHSSVALMNZRNFR-JTQLQIEISA-N	309.391	1.439	50	20	DDGD	
CCOc1ccc(NNC(=O)Cn2ccc([N+](=O)[O-])n2)cc1	817900121	VGJHPTCQOSIOEE-UHFFFAOYSA-N	305.294	1.333	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1ccc(O)cc1O	814951809	WWOJLQATUQNUMT-UHFFFAOYSA-N	302.286	1.333	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](C)c1ncc(C(=O)OC)s1	491163127	VNCOJPWEYPPICP-XZZQCUQZSA-N	309.347	1.551	50	20	DDGD	
O=C(/C=C\c1ccc(Cl)nc1)NNc1nc2ccccn2n1	493251568	JGHFFIFLWMPFKM-ALCCZGGFSA-N	314.736	1.934	50	20	DDGD	
Cn1cc(Cl)cc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	826362125	FCPDKKUIUHDLPC-UHFFFAOYSA-N	317.740	1.616	50	20	DDGD	
CSC[C@H](CCO)NC(=O)/C(C#N)=C/c1ccc(F)cc1	490872822	CGFCKAZRRFLCAL-BCNIOPEESA-N	308.378	1.963	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)N[C@@H]1CCC(=O)N(C)C1=O	824788889	RKEWLWIJEUZBFN-SNVBAGLBSA-N	324.768	1.422	50	20	DDGD	
C=Cc1ccc(S(=O)(=O)NNC(=O)c2ccccn2)cc1	821116087	IYQIVPXUFPSIGO-UHFFFAOYSA-N	303.343	1.348	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H](CC(C)C)NC(=O)O)c1	829142322	POYTXTVDTQRTKN-LBPRGKRZSA-N	313.329	1.960	50	20	DDGD	
C[C@@H](CCCC(F)(F)F)NC(=O)c1cccc(B(O)O)c1	584984015	VWJYOYRCLBFWOX-VIFPVBQESA-N	303.089	1.217	50	20	DDGD	
COc1ccc2cc(C(=O)N3CC[C@@H](B(O)O)C3)sc2c1	585067106	PLPKTHNFSPUUOC-SNVBAGLBSA-N	305.164	1.599	50	20	DDGD	
COCc1ccccc1S(=O)(=O)NNC(=O)OC(C)(C)C	495442292	FCBAVFNNSCJZHC-UHFFFAOYSA-N	316.379	1.551	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@H]3CCN(C)C3=O)nc12	828359210	WSCXLDNCUROCIW-SECBINFHSA-N	304.375	1.526	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1cccc(C(=O)NCCOC)c1	490945117	ZYIDZRUAKWTNKH-QBFSEMIESA-N	317.345	1.445	50	20	DDGD	
C[C@@H]1[C@H](NC(=O)c2ccc(B(O)O)cc2)C[C@H]1c1ccccc1	584960562	RXCDNFVJBUGZIO-JCURWCKSSA-N	309.174	1.288	50	20	DDGD	
Cc1csc([C@H](C)C(=O)NNC(=O)NCc2ccco2)n1	823792879	HOXPIDKQFCGGAH-SECBINFHSA-N	308.363	1.679	50	20	DDGD	
CCC[C@H](CC(C)C)C(=O)NNC(=O)C(=O)Nc1ccccn1	826890883	XYPXRJJARVXEQF-GFCCVEGCSA-N	320.393	1.630	50	20	DDGD	
CCCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)OC(C)(C)C	491256555	STMBDLDSFNYKDP-LLVKDONJSA-N	313.398	1.724	50	20	DDGD	
C[C@]1(C(=O)N2CCN(c3ncc[nH]3)CC2)C[C@@H]1Br	907762300	AGNOVLVZYHJKNZ-CABZTGNLSA-N	313.199	1.232	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1F	491051600	SUQURRAFUFVJDL-IZZDOVSWSA-N	308.309	1.512	50	20	DDGD	
O=C(O)Nc1ccccc1C(=O)NNC(=O)Cc1ccncc1	833288992	YQFZGMKIWQVWCG-UHFFFAOYSA-N	314.301	1.175	50	20	DDGD	
C[C@@H](C#N)C(=O)NNC(=O)c1cc(F)ccc1Br	736674193	ABUJCDBEXIBNGD-LURJTMIESA-N	314.114	1.509	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)N[C@H](C1CC1)C(F)(F)F	836459379	PIWSWIUUPCUCSR-RKDXNWHRSA-N	309.288	1.227	50	20	DDGD	
COc1ccc(CCC(=O)NN=C2CCCS(=O)(=O)C2)cc1	731925745	ULLMLFWLPDMFAL-UHFFFAOYSA-N	324.402	1.309	50	20	DDGD	
Cc1oc(-c2ccsc2)nc1CC(=O)N1CC[C@@H](B(O)O)C1	585069813	PQAIAJQZDUTMNJ-LLVKDONJSA-N	320.179	1.329	50	20	DDGD	
O=C(CSc1ccc(F)cc1)NNC(=O)[C@H]1CCCCO1	833261892	RRZAJIPPYWDLDY-GFCCVEGCSA-N	312.366	1.634	50	20	DDGD	
C[C@H]1CCCC[C@H]1N1CCC(=NNC(=O)C(=O)NC2CC2)CC1	733906765	GIKBIEWXICQWHF-SWLSCSKDSA-N	320.437	1.412	50	20	DDGD	
C[C@@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CC=C(C#N)CC1	833404380	JQVFWKOXMRFQNW-LBPRGKRZSA-N	313.357	1.545	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCC[C@@H](C(=O)O)C2)c(C)o1	832864947	XSRJTAYRTGHOEU-WDEREUQCSA-N	308.334	1.548	50	20	DDGD	
COCCC(=NNC(=O)C(=O)N1CCCC1)c1ccc(F)cc1	734747738	CZYGATSTWUBJCB-UHFFFAOYSA-N	321.352	1.305	50	20	DDGD	
CCCN(C)CC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	730103875	IXPHFJVAUBAGOA-CQSZACIVSA-N	321.421	1.560	50	20	DDGD	
C[C@]1(C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)C[C@@H]1Br	907963979	YRCJAPPOJZNNID-ARHDFHRDSA-N	317.183	1.117	50	20	DDGD	
Cc1ncc(CN(C)[C@H](C)C(=O)NNC(=O)CC(C)C)s1	731849353	XWWHGXNWDSMJEJ-SNVBAGLBSA-N	312.439	1.465	50	20	DDGD	
COc1cc(OC)cc([C@@H](NNC(=O)C2CCCC2)C(=O)O)c1	832056676	HCPUPCONUALORB-CQSZACIVSA-N	322.361	1.641	50	20	DDGD	
CO[C@@H]1C[C@H](NC(=O)NNc2ncc(F)cc2F)C1(C)C	838511147	WSZPKTHETCOTTK-VHSXEESVSA-N	300.309	1.799	50	20	DDGD	
CCOc1ccc(NNC(=O)NCC(=O)N(CC)CC)cc1	837879503	VEYSFWBWRXRTTG-UHFFFAOYSA-N	308.382	1.580	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1CCCC12CCCCCC2	584971654	WPAYZWTWPVNVRY-UHFFFAOYSA-N	319.185	1.835	50	20	DDGD	
CCc1ccc(C(=O)NN=C(C)c2c(C)nc(O)nc2O)cc1	839397804	HIUNNQYCEBWTSX-UHFFFAOYSA-N	314.345	1.913	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H](O)c1cccnc1)c1ccccc1	732291218	CDKVSRLEMRFDHY-GJZGRUSLSA-N	313.357	1.456	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1ccccc1C(F)(F)F	912806663	VUIGRIHVZOGIJI-UHFFFAOYSA-N	313.279	1.824	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCCc1cc(C(F)(F)F)ccn1	836479835	CYHDRWTYRBFBLO-UHFFFAOYSA-N	318.299	1.629	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccccc1	837404739	NUQNIMKAJJKKQE-MCIONIFRSA-N	302.374	1.679	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cccc([N+](=O)[O-])c1	831047426	QFGWXMBXGFWBFC-KWQFWETISA-N	308.294	1.173	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CSC(C)C)cc1	919834404	ZWYVGCRAEIFWLA-UHFFFAOYSA-N	310.419	1.917	50	20	DDGD	
CS(=O)(=O)c1cccc(C=NNC(=O)CC(F)(F)F)c1	834943091	ZZRXVCJERFZNDH-UHFFFAOYSA-N	308.281	1.493	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)C(F)(F)C(F)F	749333977	XXONFPLNTVMWAZ-UHFFFAOYSA-N	317.242	1.758	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)CSC(C)C)c1	744686346	AVBZOAPCXKYKCA-UHFFFAOYSA-N	324.402	1.441	50	20	DDGD	
COC[C@H](Cc1ccccc1)NC(=O)NNC(=O)C(C)(C)C	746779067	GGGMVNSJCCYNDU-ZDUSSCGKSA-N	307.394	1.621	50	20	DDGD	
CS(=O)(=O)/C(C#N)=C\c1cc2c(cc1OC(F)F)OCO2	741849366	WZCGPRXSDRUVOK-WAPJZHGLSA-N	317.269	1.926	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@](C)(O)[C@@H](C)c1ccccc1	747384047	QNHOSBSJQZMYCG-MGPLVRAMSA-N	316.361	1.034	50	20	DDGD	
NNC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1	840568722	RQUWJWYPLBKKKB-UHFFFAOYSA-N	303.322	1.738	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CC2(O)CCCCC2)c1	746093170	MIYYQXJESYFOGY-UHFFFAOYSA-N	320.389	1.607	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@@H]1CCc2ccccc2NC1=O	847396290	GBIIWJXMRVGHSY-GFCCVEGCSA-N	318.377	1.316	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cc(C(F)F)[nH]n1)C1CC1	912161765	UJCBATSKKKYGSR-YFKPBYRVSA-N	303.338	1.255	50	20	DDGD	
CCNC(=O)NNC(=S)Nc1cc(OC)ccc1Cl	742994480	YTEKDDNGGVSPHR-UHFFFAOYSA-N	302.787	1.869	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@H]1CCS(=O)(=O)N1	846198693	PWRVPGPHSPVVMI-GFCCVEGCSA-N	311.407	1.253	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](C)Cc1ccc(C#N)cc1	847462252	VFZLGQJMRUODMT-JTQLQIEISA-N	311.345	1.230	50	20	DDGD	
C[C@H]1CCCN(CCNC(=O)NNC(=O)CC(F)(F)F)C1	918065560	QRPBSNNCTXSITR-VIFPVBQESA-N	310.320	1.001	50	20	DDGD	
CC(=O)Nc1ccc(S(=O)(=O)NCCCSC#N)cc1	916963406	BBPMVBWRZNCIBO-UHFFFAOYSA-N	313.404	1.528	50	20	DDGD	
NC(=O)NCCC(=O)NNc1ccc(F)cc1Br	749267979	YHDWUBPVNSDODI-UHFFFAOYSA-N	319.134	1.090	50	20	DDGD	
N[C@@H]1CCC[C@H](NC(=O)NNc2ncnc3ccsc23)C1	841983157	OOKFUNWSXHONKG-BDAKNGLRSA-N	306.395	1.587	50	20	DDGD	
COC[C@@]1(CNC(=O)[C@@H](Br)C(C)(C)C)CCCN1	843477431	MMPQCVZZLAHEFB-MFKMUULPSA-N	321.259	1.681	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)Cc2c(C)n[nH]c2C)cc1	846370212	FQYGOOKKTJLUBE-UHFFFAOYSA-N	316.361	1.428	50	20	DDGD	
CCCN1CCC[C@@H]1C(=O)NNC(=O)c1cccc(Cl)n1	912507976	QEMASMBDDWSJJN-LLVKDONJSA-N	310.785	1.370	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@H](C1CCCCC1)N(C)C	916447275	BPRRVKKASVAENX-CQSZACIVSA-N	312.458	1.873	50	20	DDGD	
O=C(NN=C1CCCn2ccnc21)c1cc(Br)c[nH]1	848401868	MKELEVJHVQJAOS-UHFFFAOYSA-N	322.166	1.902	50	20	DDGD	
C#CCOc1ccccc1C=NNC(=O)[C@H](C)OCCOC	748260427	STINRMKTBNBMOW-ZDUSSCGKSA-N	304.346	1.200	50	20	DDGD	
CO[C@@H](C=NNC(=O)CCc1ccccc1O)[C@H]1CCOC1	841623211	GJPLUOFGYXWZLK-ZFWWWQNUSA-N	306.362	1.478	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNC(=O)CSc1ccc(C)cc1	915263490	RMVNLGGIGQAGOH-LLVKDONJSA-N	323.418	1.149	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCC2CCNCC2)cc1	846211764	ZVCITECYVLPTPT-UHFFFAOYSA-N	318.421	1.583	50	20	DDGD	
C[C@@H]1CCCc2ncc(C(=O)NNc3cc(Cl)nc(N)n3)n21	845934631	RLVNRWFTLZIBRT-SSDOTTSWSA-N	321.772	1.563	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc2c(F)cccc2c1	843663420	YPMVBSAXVGGAAM-JOYOIKCWSA-N	317.320	1.560	50	20	DDGD	
C=CCSCCNC(=O)NNc1ccc(CC(=O)OC)cc1	844937512	SVTNUESZAVGQNA-UHFFFAOYSA-N	323.418	1.947	50	20	DDGD	
C[C@@H](NC(=O)NN=c1sc2ccccc2n1C)[C@@H]1CCOC1	743652428	VCSQBMFQUFBNNR-GHMZBOCLSA-N	320.418	1.780	50	20	DDGD	
CO[C@@H](C=NNC(=O)COc1ccccc1C#N)[C@@H]1CCOC1	841608343	CAJBOKYLVSNJLW-HIFRSBDPSA-N	317.345	1.091	50	20	DDGD	
COc1cccc(NCC(=O)NN=C2C[C@H](C)n3ncnc32)c1	841614802	QMGOOIQDGHFWJW-JTQLQIEISA-N	314.349	1.184	50	20	DDGD	
C[C@H](C(=O)NNC(=O)COc1ccc(C#N)cc1)c1ccco1	741661466	XTJHXUAPRQIUDQ-NSHDSACASA-N	313.313	1.481	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc(C(C)(C)C)s1	843648940	SHNIEIKKOBPBMT-DTWKUNHWSA-N	311.407	1.627	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H]2CCCC[C@H]2CN)cc1	841948178	IZFKAFAWWYLQHN-LSDHHAIUSA-N	318.421	1.711	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CSc1ccccc1[N+](=O)[O-]	844130954	OHUOKWAICKOZDO-UHFFFAOYSA-N	321.358	1.638	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C(C)(C)Cc1ccccc1	843651984	QIVINLDOJWSVOO-JSGCOSHPSA-N	304.390	1.828	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1CCN(Cc2ccccc2)C1	847285459	LJZNKWQFUOALKR-AWEZNQCLSA-N	318.446	1.190	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)CC(F)(F)F)cccc1[N+](=O)[O-]	748066409	PVNAXQLFRVNWFA-UHFFFAOYSA-N	319.239	1.546	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C[C@H](C)n2ccnc2)cc1	920747909	YDEWBELKMDVHGG-ZDUSSCGKSA-N	316.361	1.369	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NNC(=O)NC(C)C)C1	751382477	PLLJCVWARDADMG-RYUDHWBXSA-N	312.414	1.010	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H]1CCn2cncc2C1	857944671	LRVFNXFDLKDPMY-LBPRGKRZSA-N	321.812	1.680	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)N[C@@H]2C=CCC2)c1	852512857	QVAAUFHVQQSTHP-LLVKDONJSA-N	305.334	1.366	50	20	DDGD	
C[C@@]1(CNC(=O)NCCC2CCNCC2)C[C@@H]1Br	857106774	ZRROEVOBZSBNHS-AAEUAGOBSA-N	318.259	1.849	50	20	DDGD	
CC[C@H](OC1CCCC1)C(=O)NNC(=O)c1cccc(F)n1	856424707	RNCKEADSPRETLQ-LBPRGKRZSA-N	309.341	1.720	50	20	DDGD	
CC(C)(C)[S@](=O)CCNC(=O)NNc1ccc(Cl)cn1	852117996	CUGOZLFYTIPDOM-HXUWFJFHSA-N	318.830	1.908	50	20	DDGD	
C=C[C@H](CC)CC(=O)NNC(=O)COc1ccc(C#N)cc1	929248913	KHMWJIDACAEPRX-GFCCVEGCSA-N	301.346	1.687	50	20	DDGD	
O=C(NN=Cc1ccccc1C1CC1)N[C@@H]1CCS(=O)(=O)C1	751131393	UYEXOAGDFRVKQK-CYBMUJFWSA-N	321.402	1.384	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)Nc1cccnn1	757661908	VBPIWFFNLOYJIL-VIFPVBQESA-N	319.296	1.236	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cccc(COC(C)C)c1	756223380	SHXYHHJKVSTVTH-UHFFFAOYSA-N	309.366	1.801	50	20	DDGD	
Cc1oc2ccccc2c1C=NNC(=O)[C@@H]1CCS(=O)(=O)C1	758097316	BDLNOEJPSWQCGF-LLVKDONJSA-N	320.370	1.626	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C1CC2(CC2)C1	854217424	NDWRNOCCGUYLRK-SNVBAGLBSA-N	306.337	1.931	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@]2(C)C[C@H]3CC[C@H]2C3)n1	858148949	RKCFLOWCVMBESL-HEHGZKQESA-N	304.394	1.474	50	20	DDGD	
CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)NNC(=O)c1cn[nH]c1	858230953	KHHOJOWDKWKOGT-CMPLNLGQSA-N	323.397	1.195	50	20	DDGD	
C[C@H](Cc1cnc[nH]1)C(=O)NC[C@@]1(C)C[C@H]1Br	857733259	IGRQAVVCVCPXIG-HLUHBDAQSA-N	300.200	1.878	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)c1cccs1	758840086	SOYBEDBSGFNHQH-VIFPVBQESA-N	318.358	1.033	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc2c(c(OC)c1)O[C@@H](C)C2	854927219	ZEJUIDSLALWMLR-QMMMGPOBSA-N	309.391	1.100	50	20	DDGD	
CCCNC(=O)NN=Cc1c(C)n(C)n(-c2ccccc2)c1=O	920988361	IGVKFYKJAYVEQK-UHFFFAOYSA-N	315.377	1.528	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)[C@@H]2COc3ccccc3O2)cn1	920986934	PETCZGUABNTOKG-HNNXBMFYSA-N	314.345	1.583	50	20	DDGD	
COCC(=NNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C)C1CC1	853372230	UDWFLBZHTUDJEG-TZMCWYRMSA-N	320.393	1.416	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccc(C#N)c(Cl)c1	755426096	ZCUNOGOPTIAELF-UHFFFAOYSA-N	318.724	1.710	50	20	DDGD	
CN1CCCC(=NNC(=O)c2cccc(S(C)(=O)=O)c2)CC1	758105533	CMXNGPASQZNSNS-UHFFFAOYSA-N	323.418	1.292	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cccn2C)c(OC)c1	755391490	LMQLDSXQFUANDO-UHFFFAOYSA-N	318.333	1.509	50	20	DDGD	
CCc1c(C(=O)NN(C)C(=S)NC)cnn1C(CC)CC	854920401	OKZMPOHUACRWGH-UHFFFAOYSA-N	311.455	1.888	50	20	DDGD	
CC(=NNC(=O)c1cc[nH]n1)c1cccc(OCCN(C)C)c1	853392141	FCRUJFPJSIHLRQ-UHFFFAOYSA-N	315.377	1.504	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1c(F)ccnc1F)C1CC1	855097397	PMSJWUPQLFPQDH-ZCFIWIBFSA-N	300.334	1.267	50	20	DDGD	
CCCN1CC[C@H](NC(=O)NNC(=O)c2ccccc2OC)C1	852086458	SFIRFPGCFIWYJW-LBPRGKRZSA-N	320.393	1.124	50	20	DDGD	
C[C@H]1CC(=NNC(=O)N2CCOCC2)CN1Cc1ccccc1	757578755	XJIQDVBLURRWNO-AWEZNQCLSA-N	316.405	1.679	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1c(OC)cccc1OC	755576977	QAXLHLDOTMXFEW-UHFFFAOYSA-N	307.394	1.886	50	20	DDGD	
CC(C)OCCONC(=O)NC[C@@]1(C)C[C@@H]1Br	856860927	YRRMYBZBUDDEJI-GXSJLCMTSA-N	309.204	1.816	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNC(=O)c1c[nH]c2ccccc12	758997621	TUOBDQQOHBDJST-UHFFFAOYSA-N	323.356	1.904	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccc(CO)c(F)c1	857496049	JZYXHPNAYJBOHJ-UHFFFAOYSA-N	304.325	1.988	50	20	DDGD	
O=C(NC[C@H]1CCCCS1)NNC(=O)c1cccc(F)n1	852284063	HXJUYVFQQZKIHI-SECBINFHSA-N	312.370	1.450	50	20	DDGD	
O=C(NN=Cc1cnc(N2CCOCC2)s1)c1cccnc1	755465843	RGOIMUUVPLAEGG-UHFFFAOYSA-N	317.374	1.139	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1	854284836	AHJRFVFZLRTBMO-FRRDWIJNSA-N	315.483	1.933	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H]1C[C@H]1c1cccc(C)c1	860541426	VEFMZGBLHDDYDJ-QWHCGFSZSA-N	323.487	1.957	50	20	DDGD	
CC(=O)NCc1ccc(C(=O)NNc2nc3ccccc3[nH]2)cc1	768491873	INARFXJXXPPZNP-UHFFFAOYSA-N	323.356	1.956	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H]1CC(c2cn(C)nc2C)=NO1	935615186	ALKULEZFOYJTCW-CYBMUJFWSA-N	314.349	1.068	50	20	DDGD	
COc1ccc2c(c1)OC[C@H]2CC(=O)NNc1cc(C)ncn1	760569270	ZSTMVYHZQJGYDJ-LLVKDONJSA-N	314.345	1.803	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)c2cccnc12)C(=O)NC1CC1	760240719	ZKLZXKDHOVVMPB-UHFFFAOYSA-N	316.748	1.617	50	20	DDGD	
CCOC(=O)c1ncc(/C=C(/C#N)C(=O)NCC(C)C)s1	865216426	FXAFIOLHBZTBKJ-YHYXMXQVSA-N	307.375	1.999	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NNc1ncc(F)cn1	760911388	HSJSBNCOBVUUFL-PELKAZGASA-N	304.281	1.287	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1	761861973	OTUGFDPOSBVVKJ-UHFFFAOYSA-N	318.333	1.758	50	20	DDGD	
O=C(NNC(=O)c1nc2ccccc2s1)NOCC1CC1	875617106	BREGYPWLTGURJK-UHFFFAOYSA-N	306.347	1.582	50	20	DDGD	
O=C(C[C@H]1CCCOC1)NNC(=O)c1nc2ccccc2s1	874914353	UANIXEPBMKECFC-SNVBAGLBSA-N	319.386	1.874	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2cc(O)cc(C#N)c2)c1	776314234	HMRPYMWCUJUDLA-UHFFFAOYSA-N	324.340	1.405	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)c2cccnc2)c1F	771251822	DENZVGRGZPUCMB-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
COC[C@H](CNC(=O)NNc1cccc(F)c1Cl)OC	875475070	LUIYQOKYBNPARQ-QMMMGPOBSA-N	305.737	1.767	50	20	DDGD	
COCCOCC(=O)NN=Cc1cccc(OC(F)F)c1	872403449	ULEZAMXFDISHQK-UHFFFAOYSA-N	302.277	1.401	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cc(Cl)cc(Cl)c1O	779824129	ZJNCLZCOMOMZIX-UHFFFAOYSA-N	320.132	1.505	50	20	DDGD	
COCCN(C)CCNC(=O)NNc1cccc(F)c1Cl	875216907	XQTMTSHITWQXLZ-UHFFFAOYSA-N	318.780	1.683	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cc(N2C[C@H](C)O[C@H](C)C2)ccn1	770813712	ONMYQTCGKPBGJV-TXEJJXNPSA-N	320.393	1.112	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1cc(Cl)ccc1OC	872402751	CPLXIALLGYPWPK-UHFFFAOYSA-N	314.769	1.852	50	20	DDGD	
C/C(=C/C(=O)NNc1nc(O)c2cnn(C)c2n1)c1ccccc1	770974349	TZLPLNFRKDZBIC-NTMALXAHSA-N	324.344	1.616	50	20	DDGD	
CN(C)C(=O)NNC(=O)C1=C(c2ccccc2)SCCO1	874248731	GYJSMVDCYWDNCD-UHFFFAOYSA-N	307.375	1.421	50	20	DDGD	
CCc1cccnc1C(C)=NNC(=O)[C@@H](C)CN1CCOCC1	779760856	DHMVYIDGQMFJEE-ZDUSSCGKSA-N	318.421	1.453	50	20	DDGD	
COc1ccc(C(=O)NNc2cc(Cl)nc(N)n2)c(OC)c1	779374809	GIOLTJOBRDWIJF-UHFFFAOYSA-N	323.740	1.486	50	20	DDGD	
CCN1C(=O)C[C@H](C(=O)NNC(C)=O)[C@H]1c1cccc(C)c1	877960825	DEGLSNSSQOKNBV-DZGCQCFKSA-N	303.362	1.072	50	20	DDGD	
C[C@H](NCC(=O)NNC(=O)C1CC1)c1ccc(F)cc1Cl	775444343	LMBMFECTGVNIDF-QMMMGPOBSA-N	313.760	1.687	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](c1ccccc1)C1CC1	772229882	DKJFBIBGVUMULK-XHDPSFHLSA-N	318.373	1.669	50	20	DDGD	
COc1cccc(C)c1NC(=O)C(=O)NNc1ccc(C)nn1	773661990	RRNWANAYZDPGBA-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccn(C(F)F)n1	775783169	FQUBOXHSOPLVSH-UHFFFAOYSA-N	324.287	1.291	50	20	DDGD	
O=C(NNC(=O)c1cnc(Cl)cc1C(F)(F)F)NC1CC1	1123608201	NKCZFJHZPDFXOZ-UHFFFAOYSA-N	322.674	1.860	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cn(-c2ccccc2)nn1	772861296	URXSJJKUIMLRDT-UHFFFAOYSA-N	323.360	1.938	50	20	DDGD	
COC(=O)CNC(=O)NN=C(Cc1cccc(OC)c1)C1CC1	779816756	MPYINPHCBNLSAR-UHFFFAOYSA-N	319.361	1.476	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1cc2c(cc1O)OCO2	774782825	BOFBYABKHNJVSN-UHFFFAOYSA-N	324.296	1.821	50	20	DDGD	
O=C(CNC(=O)N1CCCC1)NNc1ccc(Cl)cc1F	885103448	CUXXZSZBCZMHKH-UHFFFAOYSA-N	314.748	1.728	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccc(N(C)C)nc2)c1	780790886	BJWHGAICYXTMJV-UHFFFAOYSA-N	314.345	1.691	50	20	DDGD	
Cc1ccc2c(c1)[C@@H](NC(=O)NNC(=O)c1cccnn1)CC2	883345883	MLAJCGCMMCHSTM-ZDUSSCGKSA-N	311.345	1.417	50	20	DDGD	
COc1ncc(C(C)=NNC(=O)CN2CCCC2=O)cc1Cl	788977859	SBDCJGKLBNQGSX-UHFFFAOYSA-N	324.768	1.206	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](C)Cc1ccc(OC)cc1	887145392	CAHZPLBIWLJMJM-CYBMUJFWSA-N	302.374	1.825	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCC(=NNC(=O)c2cccc(C#N)c2)C1	788427793	RVCGOSIQXQIXES-AWEZNQCLSA-N	319.386	1.631	50	20	DDGD	
CCCNC(=O)NNC(=O)c1nc(Br)ccc1C	786834345	QEAZAVBJRHLMFE-UHFFFAOYSA-N	315.171	1.507	50	20	DDGD	
Cn1ncc(C2CCC2)c1C(=O)NNc1nccnc1Cl	896386813	UVNYDEVRCUCAJN-UHFFFAOYSA-N	306.757	1.888	50	20	DDGD	
CO[C@@H](C(C)=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1	782184616	JRTCLPYZYKZOTF-KGLIPLIRSA-N	324.402	1.301	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccc(NC=O)cc2)c1	780795437	KKNBGZAFLRPFOR-UHFFFAOYSA-N	313.313	1.798	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1)[C@H]1CCCO1	783817728	XPXBKGPCHIPEQY-UKTARXLSSA-N	311.426	1.403	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ccccc2)nn1CCC#N	784764983	JOAPPSFDAXGVOJ-UHFFFAOYSA-N	312.333	1.187	50	20	DDGD	
C[C@H](NCC(=O)NNC(=O)c1cccc(C#N)c1)c1cccnc1	782984242	SDBFEXDUOFCZRH-LBPRGKRZSA-N	323.356	1.065	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)O[C@@H](C(N)=O)C(C)C)c1	782447579	MHKQXVMWWBJWCV-YRBHFNIASA-N	302.330	1.655	50	20	DDGD	
COC1CCC(C(=O)NNc2nc(O)c3ccccc3n2)CC1	781950031	FUMPGYXQOORKFH-UHFFFAOYSA-N	316.361	1.984	50	20	DDGD	
CC(=O)Nc1ccc(CNC(=O)NNc2ccccn2)cn1	789299129	MYQBTUJLWJAPCW-UHFFFAOYSA-N	300.322	1.261	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1cc2n(n1)CCCO2	790588834	PKBLYFMKDXNWDV-UHFFFAOYSA-N	321.268	1.470	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1C[C@H](c2ccccc2F)C1	798115222	FWMBTQZZFGVKPA-XYPYZODXSA-N	309.341	1.439	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H]2COCCN2C2CCCC2)nc1	899661690	GHJLKHZPKKPELO-CQSZACIVSA-N	315.377	1.040	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)NC)c(OC(C)C)c1	790489356	BLDPPKVFITWQSV-UHFFFAOYSA-N	309.366	1.836	50	20	DDGD	
CNC(=O)Nc1ccc(C(=O)NNC(=O)CC(C)(C)C)cc1	894255595	QWQLKCMDQSNBEV-UHFFFAOYSA-N	306.366	1.635	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1c(F)cc(F)cc1F	791243849	XDXLQOHPRGUHRJ-UHFFFAOYSA-N	307.235	1.904	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)Cc2cccnc2)cc1C=O	793426568	SDQMZKKTTYRLNE-UHFFFAOYSA-N	311.341	1.515	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1coc(C(C)C)n1	799481191	MMVTUIVOLNFYCJ-UHFFFAOYSA-N	308.382	1.943	50	20	DDGD	
CCN(CC(=O)NNC(=O)Cc1ccccc1C)CC1CCC1	796540250	QUCGCDMFKGYTRZ-UHFFFAOYSA-N	317.433	1.807	50	20	DDGD	
CC[C@H](C)C(=O)NN=C1CCCc2c1cnn2-c1ncccn1	792978970	ZUELFQZPEGHJAR-NSHDSACASA-N	312.377	1.865	50	20	DDGD	
Cc1c(CNC(=O)NNC(=O)CC(C)C)cccc1[N+](=O)[O-]	790564917	OHRLVSSAFNHKOG-UHFFFAOYSA-N	308.338	1.780	50	20	DDGD	
COCc1cc(C=NNC(=O)COc2cc(C)cc(C)c2)no1	794869358	XGIYLQPQGCCPLT-UHFFFAOYSA-N	317.345	1.967	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCOc2cccc(F)c2)n1	794089453	FRQNRGDTPYYVBG-UHFFFAOYSA-N	317.320	1.759	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)C[n+]2ccccc2)C12CCCC2	794457821	RNLUMWYEKULUIU-OAHLLOKOSA-O	302.398	1.816	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc(N2CCOCC2)cc1	1318044180	BDOSSVBIORJBRD-UHFFFAOYSA-N	322.434	1.041	50	20	DDGD	
Cc1nnc(NNC(=O)c2cc(C)c3ccccc3n2)nc1O	1317885892	BNWWZGPEHMKOAS-UHFFFAOYSA-N	310.317	1.499	50	20	DDGD	
O=C(CCO)NN=C1CCC[C@H]2CN(Cc3ccccc3)C[C@H]12	1323611072	ZLCFNAVOXKLPKW-HOTGVXAUSA-N	315.417	1.773	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)c2cc[n+]([O-])cc2)c1	1321838054	ULZKLTFVLOXVIF-UHFFFAOYSA-N	315.333	1.170	50	20	DDGD	
COCCn1cc(NC(=O)NNc2cccc(C)n2)ccc1=O	1335168858	IMPBQRGHCAPYGR-UHFFFAOYSA-N	317.349	1.347	50	20	DDGD	
CCN(CC)CC[C@H](C)NC(=O)NNC(=O)Cc1cccnc1	1339891938	HCOYYGXRZDWCBM-ZDUSSCGKSA-N	321.425	1.075	50	20	DDGD	
O=C(NC[C@H]1CCCCCN1)NNC(=O)c1cccc(Cl)c1	1335718475	ZNKUISHCSZLUJZ-CYBMUJFWSA-N	324.812	1.816	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H](CO)CC(C)(C)C)c1	1331312422	JGHFWCRAMWJMBI-JTQLQIEISA-N	313.423	1.798	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cnc(Cl)cc1C(F)(F)F	1345825128	XYJNYRZJQWGPNM-UHFFFAOYSA-N	310.663	1.670	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1cnn2ccncc12	1341986773	UUOHOSLIIBPZAX-UHFFFAOYSA-N	309.333	1.544	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2CCc3nccn3C2)cccc1C(=O)O	1600052240	FQMGYRNTZIZZDN-LLVKDONJSA-N	314.345	1.595	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCC2(C(=O)O)CCCCC2)cn1	1600946449	MZRWDIQSIGOIHB-QPEQYQDCSA-N	316.361	1.478	50	20	DDGD	
CCO[C@@H](CC)C(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1605590151	IMIQYTBTQVFXLV-JTQLQIEISA-N	315.395	1.395	50	20	DDGD	
O=C(NN=Cc1ccc(F)cc1)c1ccc(-c2nn[nH]n2)cc1	1606849175	DOOYOEBWMYOAGF-UHFFFAOYSA-N	310.292	1.770	50	20	DDGD	
C[C@H](CC=NNC(=O)C(F)(F)Oc1ccccc1)C(=O)O	1604129760	KIYPRCOITXCDJG-SECBINFHSA-N	300.261	1.871	50	20	DDGD	
O=C(CCc1ccc(O)nc1)NNc1ccc(C(=O)O)c(F)c1	1601287649	WGCUDXPVILIQEA-UHFFFAOYSA-N	319.292	1.700	50	20	DDGD	
COCc1c(C)cc(C)c(C=NNC(=O)NCC(=O)O)c1C	1606940008	VYBOJSWZBMPFFU-UHFFFAOYSA-N	307.350	1.476	50	20	DDGD	
C/C=C(/C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2	1801615463	HONYVDUUXDGNEI-QVAXXNGCSA-N	314.813	1.191	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2[C@H]3CCNC[C@H]32)cc1	1575272784	NZGAKDGAGSSKPS-RRFJBIMHSA-N	315.417	1.601	50	20	DDGD	
C=CCC(=O)N1CC2(CCCN2C(=O)[C@H](C)Br)C1	1846179586	MDGPXWPFJSXFHM-JTQLQIEISA-N	315.211	1.549	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@@H]2CC(=O)O)C[C@@H]1Br	1594018076	VIMKLUNPLYOBFI-VDDIYKPWSA-N	319.199	1.809	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1ccn(C)c1)C2	1845163641	JUSCNEGLPZRHQI-ZDUSSCGKSA-N	323.824	1.860	50	20	DDGD	
CN(C)N(C(=O)/C=C\c1ccco1)c1nc(CC(=O)O)cs1	1598255866	KXFNKVOLOYRHHH-WAYWQWQTSA-N	321.358	1.886	50	20	DDGD	
C[C@H](NNC(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1)C(F)(F)F	1593319257	OATONFPSXBRVER-YFKPBYRVSA-N	321.211	1.478	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1c[nH]nc1C1CC1	1593164630	CXSVBRXIVZHVEU-UHFFFAOYSA-N	310.321	1.224	50	20	DDGD	
Cc1ccc(-c2nn[nH]n2)cc1C(=O)NNc1ccc(C#N)cn1	1592099760	PIJNAODNAASGGK-UHFFFAOYSA-N	320.316	1.199	50	20	DDGD	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNc1ccc(C(F)(F)F)nn1	1594228269	VIUMCCSJTCPDEY-FWOIEVBISA-N	304.228	1.049	50	20	DDGD	
COc1cccc(NNC(=O)c2cccc(CC(=O)O)c2)n1	1599679812	JPAKHLHFHBTBGI-UHFFFAOYSA-N	301.302	1.474	50	20	DDGD	
O=C(NNc1ccncn1)c1ccc(Cl)c(-c2nn[nH]n2)c1	1593167252	FGPFNVAOGFTDOX-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
CN(C)CC1(C(=O)NNc2ccc(C(=O)O)c(Cl)c2)CC1	1598203373	UFLMFFOBRCAOPL-UHFFFAOYSA-N	311.769	1.823	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)c2cn3c(n2)CCCC3)cn1	1776105469	KHXUEMLQKDGEGC-UHFFFAOYSA-N	313.317	1.077	50	20	DDGD	
CC(=NNC(=O)c1ccc(CO)o1)c1cccc(C(=O)O)c1	1776097097	JWECLPKAVRHPQW-UHFFFAOYSA-N	302.286	1.624	50	20	DDGD	
CC(=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(Cl)Cl)C2	1795445168	SMLQPTZCDLCEAN-AYMMMOKOSA-N	307.177	1.017	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)CCNC(=O)c1ccco1	161068645	WTELQUGRENRQCK-UHFFFAOYSA-N	305.309	1.990	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@@H]1CCO[C@@H](C2CC2)C1	163782811	UTGAXALNMPLZAQ-ZIAGYGMSSA-N	303.362	1.588	50	20	DDGD	
Cc1[nH]ccc1C(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	151100331	BBKMKPQBIHPUPF-UHFFFAOYSA-N	315.358	1.850	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cc(F)c(F)c(F)c1	157647635	WFUQRFFUWLSPHA-LURJTMIESA-N	310.297	1.460	50	20	DDGD	
CSCCNC(=S)NNC(=O)Cn1ccc2ccccc21	154121549	PVNWWDSJRGRXCI-UHFFFAOYSA-N	322.459	1.500	50	20	DDGD	
CCc1nn(C)c(Cl)c1C(=O)NNc1nccc(OC)n1	159930410	GRMBTKVJOLFORH-UHFFFAOYSA-N	310.745	1.191	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)CBr)C[C@@H](C)C1(F)F	859260404	UYODUTBYUZAMAM-RNFRBKRXSA-N	306.172	1.892	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Nc2cccc(C#N)c2)cc1	57979784	DPHOVBXKTYWPJZ-UHFFFAOYSA-N	305.297	1.896	50	20	DDGD	
C[C@H]1CCC[C@H](CNC(=O)NNC(=O)Cc2cccnc2)C1	103518775	IXTCVDWZQUTYJC-STQMWFEESA-N	304.394	1.781	50	20	DDGD	
C[C@@H](Oc1ccccc1Cl)C(=O)NNC(=O)Cc1cc[nH]n1	106417988	XCDUJHVWMJLLFP-SECBINFHSA-N	322.752	1.221	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@@H](C)CN2CCCC2)n1	175336351	VLPQETCHGQTUNV-LLVKDONJSA-N	322.413	1.152	50	20	DDGD	
COc1cc(C(=O)NNC(=O)NC2CC2)ccc1OC(C)C	10036059	XXAAKSDECKPTKX-UHFFFAOYSA-N	307.350	1.589	50	20	DDGD	
CC(=O)NNC(=O)[C@H](C)Oc1ccccc1Br	112392658	JPZAFSMZKXOJGS-ZETCQYMHSA-N	301.140	1.384	50	20	DDGD	
Cc1ccc(C(N)=O)cc1NC(=O)C(=O)NNc1ccccc1	185224670	HHHFAEGYEUXLPM-UHFFFAOYSA-N	312.329	1.176	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@H](C)O)c1C	179619115	QKAJYKSEKTZWER-AAWHYMEISA-N	305.378	1.155	50	20	DDGD	
CC(C)[C@H]1CN(CC(=O)NNC(=O)c2ccccc2)CCS1	173857276	QDICSXQVVAMZIX-CQSZACIVSA-N	321.446	1.521	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O)C1CC1	175812091	QICUUEWNGOTWPG-SNVBAGLBSA-N	314.345	1.385	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC2CCN(C(C)C)CC2)n1	175173516	RHBSIMGKEIZVEF-UHFFFAOYSA-N	322.413	1.293	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC2CCCC2)c2c(C)noc2n1	65920118	OAPRFVLSYWSSFR-UHFFFAOYSA-N	317.349	1.726	50	20	DDGD	
COCCCNC(=O)NNC(=O)COc1ccc(C)cc1C	65207824	VOMYWGVXRSATOQ-UHFFFAOYSA-N	309.366	1.049	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cc(C#N)cs1	177054217	BTUDESLQZNUJIV-UHFFFAOYSA-N	301.327	1.703	50	20	DDGD	
C[S@](=O)Cc1cccc(C(=O)NNC(=O)NC2CCCC2)c1	68283812	PRPQFTOIYFLJIH-JOCHJYFZSA-N	323.418	1.452	50	20	DDGD	
O=C(NNC(=O)c1ccc(Br)s1)c1cc[nH]c1	68230753	NBPHRPGHLQFSHB-UHFFFAOYSA-N	314.164	1.914	50	20	DDGD	
C[C@H](CNC(=O)NNc1ccc(Cl)nn1)Cn1cccn1	129286952	ABLLWTAEDQPQSK-SECBINFHSA-N	309.761	1.289	50	20	DDGD	
CC(=O)Nc1ccc(/C=C(\C#N)S(=O)(=O)NC2CC2)cc1	188033625	VWXWXRJTPZAGPS-RIYZIHGNSA-N	305.359	1.591	50	20	DDGD	
Cc1ccc(CCCC(=O)NNC(=O)N2CCOCC2)s1	79685919	PUICVEISSZMZQX-UHFFFAOYSA-N	311.407	1.452	50	20	DDGD	
Cc1ccc(C(=O)NNc2nc3ccccc3c(=O)n2C)nc1	129033967	MHQFYFMKQUKZHY-UHFFFAOYSA-N	309.329	1.394	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NCc1cccs1	121649886	LQLKILSVLNXTKY-UHFFFAOYSA-N	319.386	1.795	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(CC(=O)NNc2ccncc2)C1	180486639	SQVJERDLFUXBSL-UHFFFAOYSA-N	306.366	1.782	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNc1cccnc1Cl	128292564	ONEKDSKLYRODEY-UHFFFAOYSA-N	310.766	1.670	50	20	DDGD	
CC(C)C[C@H](C)OCCC(=O)NNC(=O)c1ccccc1O	121463092	QJLMSCDLGKEXMO-LBPRGKRZSA-N	308.378	1.995	50	20	DDGD	
CCN(C)Cc1cccc(CNC(=O)NNc2cccnn2)c1	77575464	BNKIOWASGWIATB-UHFFFAOYSA-N	314.393	1.755	50	20	DDGD	
C[C@@H]1Oc2ccccc2N(CC(=O)NNc2ccccc2)C1=O	125560256	YWOQWTGNBQLTIX-LBPRGKRZSA-N	311.341	1.944	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C(C)C)N2CCCC2=O)nc(C)n1	129042689	QZLKBWVAUJGXET-AWEZNQCLSA-N	305.382	1.184	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)COc2cccc(C)c2)[nH]n1	122426270	PMTQDPPQGLBJQI-UHFFFAOYSA-N	302.334	1.121	50	20	DDGD	
COCCC(C)(C)C(=O)NNc1nc2ccccc2c(=O)n1C	183639984	BNKSYLWQJSKRIH-UHFFFAOYSA-N	318.377	1.439	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2cc(-c3ccco3)[nH]n2)n1	134006381	ZFSOQYALQNNUAC-UHFFFAOYSA-N	319.712	1.452	50	20	DDGD	
O=C(CSCc1ccncc1)NNC(=O)c1ccc(F)cc1	48210283	JQMAWTXMTVSBRX-UHFFFAOYSA-N	319.361	1.915	50	20	DDGD	
O=C(NNC(=O)c1cccc(Br)n1)c1ccccc1	136045367	TVJHBKBSSHWCCN-UHFFFAOYSA-N	320.146	1.919	50	20	DDGD	
CNS(=O)(=O)c1ccc(C(=O)NNc2ccc(F)cc2)o1	48136530	JRQDWSKIBDEAIQ-UHFFFAOYSA-N	313.310	1.084	50	20	DDGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)[C@@H](C)O	136098248	IVKAZDFVHKHEQR-SECBINFHSA-N	305.359	1.260	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)NC(C1CC1)C1CC1	45438305	WRVBUWYVCVNVKF-UHFFFAOYSA-N	321.352	1.724	50	20	DDGD	
CN(C)C(=O)NNC(=O)CSc1ccc(C(F)(F)F)cn1	194932304	ZEWXSMJKANVDOZ-UHFFFAOYSA-N	322.312	1.495	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNC(=O)c2ccccc2F)cn1	48185244	LOIMQLDUXHRQFU-UHFFFAOYSA-N	304.325	1.852	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H](C)N(C)CC(F)(F)F)n1	192141371	JSRYCLHAYCDZRG-SECBINFHSA-N	305.304	1.419	50	20	DDGD	
CN(CC(C)(C)O)S(=O)(=O)c1ccc(CCCl)cc1	92985388	WPUMRKJEQMYOSP-UHFFFAOYSA-N	305.827	1.859	50	20	DDGD	
C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)NNC(=O)C(C)(C)C	249782403	QLOLEEAVFFJEAF-UPJWGTAASA-N	312.458	1.729	50	20	DDGD	
C[C@H]1CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C	248367233	TVAKPWZSNXDQHZ-QWRGUYRKSA-N	320.349	1.086	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2ccncc2F)n1	268663151	YFHIQUGQLHTQIH-UHFFFAOYSA-N	304.329	1.614	50	20	DDGD	
COC(=O)c1cc(OC(=O)[C@@H]2CCCOC2)ccc1[N+](=O)[O-]	264809349	SEFZVRGJFIZIIB-SECBINFHSA-N	309.274	1.713	50	20	DDGD	
Cn1ccnc(NNC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c1=O	267249948	UMIJCNHQXPBTMP-IUCAKERBSA-N	318.299	1.592	50	20	DDGD	
O=C(Cc1ccc(Br)c(F)c1)NNC(=O)C1CC1	269677959	DRLADHGKGFZJBC-UHFFFAOYSA-N	315.142	1.688	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H](C)c2cccc(O)c2)n1	277051511	IFVCULSMNOASEH-SNVBAGLBSA-N	317.349	1.887	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2nc(O)c3ccccc3n2)CCO1	272077116	QMDGZDZRPUQHRI-NXEZZACHSA-N	302.334	1.594	50	20	DDGD	
COC1(CC(=O)NNc2nc(-c3ccncc3)no2)CCC1	276631062	PZCAIZXZIZMPIC-UHFFFAOYSA-N	303.322	1.534	50	20	DDGD	
CCc1nc(CCNS(=O)(=O)CBr)cs1	272777164	GUXDTQQFOBMMKR-UHFFFAOYSA-N	313.242	1.520	50	20	DDGD	
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1cccc(OC)n1	272478585	BQVYHPLCIOCWAC-JTQLQIEISA-N	324.381	1.837	50	20	DDGD	
CSc1ccccc1NC(=O)C(=O)NNC(=O)CC1CC1	274063227	LZAQETTVVGJEFO-UHFFFAOYSA-N	307.375	1.295	50	20	DDGD	
COC(=O)C1(CNC(=O)NN(C)c2ccccc2)CCOCC1	272755620	JSYFIYTUSVKGOG-UHFFFAOYSA-N	321.377	1.307	50	20	DDGD	
CC[C@H]1C[C@H](CC(=O)NNc2cc(Cl)nc(N)n2)CCO1	273567130	XGZGGRLSBVRGHD-BDAKNGLRSA-N	313.789	1.751	50	20	DDGD	
Cn1cc2c(n1)CCC[C@H]2C(=O)NNC(=O)CC1CCCC1	369866141	XSIWJZHFDGYFFX-GFCCVEGCSA-N	304.394	1.568	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(Br)c(O)nc1C	286513008	XCIXFENXKVUKPN-UHFFFAOYSA-N	318.127	1.201	50	20	DDGD	
CCCOc1cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)CC)c1	274080512	QOLIBRONLVBHGV-NSHDSACASA-N	321.377	1.607	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(C(=O)N2CC=C(C#N)CC2)cc1	272693498	RBGQYSCUKDWYSE-UHFFFAOYSA-N	319.386	1.233	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNS(=O)(=O)C1CC1	278175924	SHYPBMSKVGUSAW-QMMMGPOBSA-N	318.782	1.220	50	20	DDGD	
Cc1c([C@H]2OCC[C@@H]2C(=O)NNC(=O)CCC(C)C)cnn1C	275382771	PKCUWLOGOXQXHW-WFASDCNBSA-N	322.409	1.390	50	20	DDGD	
CCc1onc(-c2ccccc2)c1C(=O)NNC(=O)C(C)(C)O	281956652	SXKLXQABDJOLEF-UHFFFAOYSA-N	317.345	1.436	50	20	DDGD	
Cc1cccc(CC(=O)NNC(=O)N2CCN(C)CC2)c1Cl	287763814	JFIOJABXQYDZRX-UHFFFAOYSA-N	324.812	1.179	50	20	DDGD	
O=C(NNc1ncccn1)N[C@@H]1CCN(c2ccccc2F)C1	293259997	GBWSSIDMAQJCEY-LLVKDONJSA-N	316.340	1.521	50	20	DDGD	
CCCN(NC(=O)c1cc2n(n1)CCO2)C(=O)OC(C)(C)C	290928654	ORAGSPQJZKCLHD-UHFFFAOYSA-N	310.354	1.567	50	20	DDGD	
CCn1cc([C@H](C)NC(=O)NNc2ccc(Cl)nn2)cn1	297449382	QIRCWUBIWNTKBO-QMMMGPOBSA-N	309.761	1.734	50	20	DDGD	
Cc1ccc(C(N)=O)cc1NC(=O)NNc1cccc(F)n1	806243963	UYQDEZSEKNJALA-UHFFFAOYSA-N	303.297	1.777	50	20	DDGD	
CCC(=O)Nc1cccc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	294339331	TZQJFARGTFTKCU-GWCFXTLKSA-N	319.361	1.364	50	20	DDGD	
C[C@H]1CN(CC(=O)NNC(=O)c2ccc(F)cc2)C(C)(C)C1	299398376	URAAEDJYIDKSPI-LLVKDONJSA-N	307.369	1.707	50	20	DDGD	
C[C@H](C(=O)NNc1cccnn1)[C@@H]1OCCc2sccc21	293509641	PLXQSDSUWRYYRH-ZANVPECISA-N	304.375	1.931	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)CCCCCC#N)c1	805155964	BOENMPPHBNBFJA-UHFFFAOYSA-N	302.378	1.988	50	20	DDGD	
CC(C)(C)[C@@H](NC(N)=O)C(=O)NNc1cccc([N+](=O)[O-])c1	298091990	KHTAVUBRSHYVAZ-JTQLQIEISA-N	309.326	1.121	50	20	DDGD	
CC(C)(C)[C@H](NC(N)=O)C(=O)NNc1ncnc2ccsc12	298063190	IDRBNSPQYACASD-SECBINFHSA-N	322.394	1.217	50	20	DDGD	
O=C(CCS(=O)(=O)C1CCCC1)NCC(Cl)Cl	808129511	OCPXWJKZUBCPJH-UHFFFAOYSA-N	302.223	1.654	50	20	DDGD	
CCSc1cc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)ccn1	293764963	AADOYHSQJLDKGH-ONGXEEELSA-N	309.391	1.522	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc2c(c1)CCCC2=O	294049805	JFMKRZGNYKYEBN-UHFFFAOYSA-N	319.361	1.186	50	20	DDGD	
CC1=C(C(=O)NNC(=O)Cc2ccccc2F)SCCO1	806825298	WNWIIXFBLIKAQV-UHFFFAOYSA-N	310.350	1.511	50	20	DDGD	
O=C(CSCCCO)NNC(=O)c1ccc(Cl)cc1	298210244	JAGMXKDCWAWHQE-UHFFFAOYSA-N	302.783	1.217	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)C2(C(F)(F)F)CCC2)n1	295080809	RHBVHVMDTLNUCV-UHFFFAOYSA-N	309.679	1.888	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1c(F)cc(F)cc1F	802023388	SLFKNCKBAXAOAN-UHFFFAOYSA-N	310.235	1.387	50	20	DDGD	
COc1cc(F)ccc1NC(=O)NNC(=O)[C@@H]1CCCCO1	296340542	MISDIRDQABXKRE-NSHDSACASA-N	311.313	1.556	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCCCOC(F)F)c1	801013139	KLNYYMJXUJBXNY-UHFFFAOYSA-N	312.276	1.132	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNC(=O)Nc2ccccc2)c1	801987178	VDUVWYNGFLUWGY-UHFFFAOYSA-N	312.329	1.513	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(-n2ccnc2)nn1)c1ccc[nH]1	805238625	UVIRJWKCAIHJID-JTQLQIEISA-N	312.337	1.378	50	20	DDGD	
O=C(COC[C@@H]1CCCO1)NNc1nccnc1C1CCC1	805467384	VPKUITUEMPCWKN-LBPRGKRZSA-N	306.366	1.383	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)[C@@H](O)C(C)C)cc1OC	291515096	YAKARAOGOACEAJ-AWEZNQCLSA-N	324.377	1.262	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H]1CCCO1)c1ccc(OC)cc1	294734767	UMJHKKRTQHMICB-KGLIPLIRSA-N	306.362	1.515	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)[C@H](C)CN1CCCCCC1	811635048	KFLQUIGHRWQSTG-UKRRQHHQSA-N	322.453	1.659	50	20	DDGD	
CN(C)[C@H](C(=O)NNC(=O)CC1CC1)c1cccc(Cl)c1	819122833	IOEKUNPCMJTLAK-AWEZNQCLSA-N	309.797	1.890	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)[C@@H](O)c1ccc(Cl)cc1	813519294	URHNXRMAKSIQJE-LBPRGKRZSA-N	312.156	1.987	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H](C)C2(OC)CCOCC2)n1	817178162	PINHVHOZZHHMSR-NSHDSACASA-N	324.381	1.300	50	20	DDGD	
O=C(NN=Cc1cc(Cl)c2c(c1)OCO2)c1cnccn1	818285543	FRGDVEHBYZPQLY-UHFFFAOYSA-N	304.693	1.623	50	20	DDGD	
CCOc1ccc(NNC(=O)Cn2cc([N+](=O)[O-])cn2)cc1	817904472	HTRDPTCGWAQXQU-UHFFFAOYSA-N	305.294	1.333	50	20	DDGD	
O=Cc1c[nH]c(C(=O)NNC(=O)Cc2cccc3ccccc23)c1	814852311	SKMXNNNQIHXFQX-UHFFFAOYSA-N	321.336	1.984	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@@H]1C[C@H]2CC[C@H]1NC2	817933655	MXWRZZDTMBSAHF-RAIGVLPGSA-N	313.361	1.568	50	20	DDGD	
COc1cccc(CCNC(=O)NNc2ncncc2F)c1	814278453	MFWLNSIIZBEKQW-UHFFFAOYSA-N	305.313	1.493	50	20	DDGD	
CC(C)CN(C)C(=O)NNC(=O)Cn1ccc2ccccc21	729506916	KDHWWUGNZDKTEX-UHFFFAOYSA-N	302.378	1.970	50	20	DDGD	
O=C(NNc1ncncc1F)c1cc(-c2ccc(F)cc2)[nH]n1	817071094	OSFDIDMKHPYIRR-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
CO[C@@H](CC(C)C)CS(=O)(=O)NNC(=O)c1ccc(C)o1	817352582	JPSDMTBLSITQDR-NSHDSACASA-N	318.395	1.213	50	20	DDGD	
Cc1cc(C#N)cnc1C(=O)NNC(=O)c1cccc(N(C)C)c1	814783929	CADWFZHQAQZWOI-UHFFFAOYSA-N	323.356	1.403	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)Cc2cc[nH]n2)[C@@H](C)C1	814955854	AOITYQMTBVKGPA-QWRGUYRKSA-N	306.366	1.424	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2cccnc2)c(OC)c1	728850853	DLYRQQPKFLEIMW-UHFFFAOYSA-N	315.329	1.103	50	20	DDGD	
COC(=O)c1cc(/C=C(\C#N)C(=O)[C@H]2CCCOC2)cn1C	811692060	WVOCGQQAZKLSKB-DTCSVVGVSA-N	302.330	1.714	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2cc(Cl)nc(Cl)c2)C1=O	819747170	MDZYBGTUDPVBKR-ZETCQYMHSA-N	303.149	1.310	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)c1cccc(OC)c1O	812479742	PXWCBNBBUVUFRK-VHSXEESVSA-N	310.350	1.080	50	20	DDGD	
Cc1ccc(NC(=O)CN(C)S(=O)(=O)CCCCl)cc1	726867931	GJWVMDNWFZXWGQ-UHFFFAOYSA-N	318.826	1.824	50	20	DDGD	
CCc1ccc(OCC(=O)NNC(=S)NCC2CCC2)cc1	727271189	ZXLFQCDTULHPSY-UHFFFAOYSA-N	321.446	1.923	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cc2n(n1)CCCC2	823543808	JDCAHKULZIEMOL-UHFFFAOYSA-N	301.306	1.885	50	20	DDGD	
Cn1c(=NNC(=O)CC2CCNCC2)sc2ccccc21	826614396	LJUFULYZEDSQSD-UHFFFAOYSA-N	304.419	1.561	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1ccc(N2CCOC2=O)cc1	490576179	LUQGOQIRERGWNT-UHFFFAOYSA-N	314.301	1.046	50	20	DDGD	
CCOc1ncccc1NC(=O)NNC(=O)c1ccccn1	726872442	CVABUZQBNUWUMD-UHFFFAOYSA-N	301.306	1.342	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)N2CCc3ccccc32)nc(N)n1	828367895	YOFUVBZLCJUGTD-NSHDSACASA-N	312.377	1.262	50	20	DDGD	
CN1CC[C@@](Cc2ccccc2)(C(=O)NN(C)C2CC2)C1=O	823788935	DDXPXNOEDJNUQU-QGZVFWFLSA-N	301.390	1.203	50	20	DDGD	
Cc1nc(SCC(=O)NN(C)[C@H](C)CO)c(C#N)c(C)c1C	823988064	PCDGKMOGKARNPO-SECBINFHSA-N	322.434	1.314	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)CC1CC(F)(F)C1	823716469	GKFJQUBRWNBIMF-UHFFFAOYSA-N	316.279	1.787	50	20	DDGD	
CN(C[C@](C)(O)c1ccccc1)C(=O)/C(C#N)=C/c1cnn(C)c1	491053537	YSJNPVYJNOATCU-DWCFMXGVSA-N	324.384	1.693	50	20	DDGD	
O=C(COC(F)(F)F)NNc1ncc(Br)cn1	824334148	CHIUVCKHZBPRLP-UHFFFAOYSA-N	315.049	1.219	50	20	DDGD	
COCCCOc1cccc(C(=O)NNc2ccncn2)c1C	821116177	XWIJEZRESNASMG-UHFFFAOYSA-N	316.361	1.957	50	20	DDGD	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)NN(C)C1CC1	496046215	DQRZFPCOMHRXIK-AWEZNQCLSA-N	305.378	1.469	50	20	DDGD	
O=C(NC1(C(F)F)CCCCC1)c1ccc(B(O)O)c(F)c1	584988102	DMLXXBRRCOXCPB-UHFFFAOYSA-N	315.100	1.203	50	20	DDGD	
CC(C)(C)OC(=O)NNS(=O)(=O)c1ccc2ncccc2c1	497056286	RKJPRHYYMIMZTJ-UHFFFAOYSA-N	323.374	1.953	50	20	DDGD	
COC(=O)NNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C	492329026	PJRKBXAMDJJMLW-DTWKUNHWSA-N	301.343	1.019	50	20	DDGD	
CCN(C[C@H](O)C(F)(F)F)C(=O)/C(C#N)=C\c1cnn(C)c1	491103701	LOYBXVUEUPJOAT-FGUAACIASA-N	316.283	1.099	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CC[C@H](O)[C@H](C)C2)cc(C#N)n1C	490909368	NDDALZBTVREWSN-NQOWCTIISA-N	312.373	1.341	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C(=O)C(C)(C)C)o1	820202258	GAGFDUZTIZCCMP-UHFFFAOYSA-N	321.341	1.036	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Nc2nnn(C)c2C)c1C	823804594	RIZDGOVSBFFFRO-UHFFFAOYSA-N	318.337	1.367	50	20	DDGD	
CC(C)(C)OC(=O)NC1CCC(=NNC(=O)C(C)(C)O)CC1	496663790	PQNAPZONVCGBNT-UHFFFAOYSA-N	313.398	1.697	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccnc(-c2ccc(Cl)cc2)n1	823922000	GRRWHICYAHHIDX-JTQLQIEISA-N	320.780	1.754	50	20	DDGD	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)NN(C)C(=O)OC	496828640	PJYUCIPWMKETFZ-LBPRGKRZSA-N	323.349	1.073	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)/C=C/[C@@H]2CCOC2)c1	493730899	XCXUNAYUJQNLIC-RDFMZFSFSA-N	318.373	1.422	50	20	DDGD	
O=C(CCNC(=O)c1ccco1)NNc1c(F)cccc1F	735694855	XSDBVOANWOWAMD-UHFFFAOYSA-N	309.272	1.821	50	20	DDGD	
CC(=O)NNC(=O)c1nn(-c2ccccc2)cc1OCC(C)C	730829722	KIYNLJOSXBLVLI-UHFFFAOYSA-N	316.361	1.688	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC1(F)F)c1cccc(OC(F)F)c1	823088964	RXAVINQRPDGTAQ-QMMMGPOBSA-N	306.215	1.704	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCc2ccncc2)cc(C#N)n1C	490726787	VDUWYCCMRBALMS-CXUHLZMHSA-N	319.368	1.866	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CC2(CCC2)[C@H]1c1ccccc1	584993585	XPDXTXWKGLQENN-QGZVFWFLSA-N	321.185	1.734	50	20	DDGD	
Cc1cnc(Cl)c(C(=O)NNC(=S)NC(C)(C)C)c1	900001291	KZCODBHVAQBAEO-UHFFFAOYSA-N	300.815	1.951	50	20	DDGD	
CCS[C@H]1CCC[C@@H](NCc2ccc(B(O)O)cc2F)C1	585031130	RMZBXXGGUGVFKS-KGLIPLIRSA-N	311.231	1.659	50	20	DDGD	
Cc1cc(NNC(=O)c2cccc(NC(=O)O)c2)nc(C)n1	738462815	YQQSBNWUCRTAFD-UHFFFAOYSA-N	301.306	1.940	50	20	DDGD	
O=C(Cc1ccsc1)NNC(=O)c1ccc(C(=O)O)s1	739350006	RGOHANZATNYGDV-UHFFFAOYSA-N	310.356	1.512	50	20	DDGD	
Cc1ncn(CC(=O)NNC(=O)c2cccc(Cl)c2)c1C	733199425	XHTPOWPGHGUSTL-UHFFFAOYSA-N	306.753	1.615	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCCc1ccc(NC(=O)O)cc1	736347683	WQGYUSVPURBATI-UHFFFAOYSA-N	308.338	1.305	50	20	DDGD	
Cn1cc(/C=C\C(=O)NNc2nc(-c3cccnc3)no2)cn1	732110604	GLRKJAYUHUTRCP-PLNGDYQASA-N	311.305	1.022	50	20	DDGD	
Cc1noc(-c2ccc(NC(=O)NNC(=O)CC(C)C)cn2)n1	836736722	YXJDGLFZJQSPKX-UHFFFAOYSA-N	318.337	1.639	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2CCCCO2)c2ccccc21	833235313	AYZNBAIZYPUHGL-HIFRSBDPSA-N	316.357	1.463	50	20	DDGD	
CC(C)CNC(=S)NNC(=O)c1cnn(-c2ccccc2)c1	733082493	WLQKOEWSPDYKPK-UHFFFAOYSA-N	317.418	1.637	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cnc(C2CC2)o1	901292685	XAOOAWACHYPQGS-UHFFFAOYSA-N	300.409	1.024	50	20	DDGD	
Cn1cc(C=NNC(=O)CNc2ccccc2F)c(C2CC2)n1	901131312	ZVPLDQDVTQZHEE-UHFFFAOYSA-N	315.352	1.999	50	20	DDGD	
C=CCC[C@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)OCC	491160429	LGWYKDKJINXHGZ-CZAWJFPGSA-N	316.361	1.341	50	20	DDGD	
O=C(NNC(=O)c1cc(Br)co1)NC1CCCC1	837373122	LFADCYCFVXGDOI-UHFFFAOYSA-N	316.155	1.929	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNC(=O)C(C)(C)c1ccccc1	731201512	NZFVPNLIWFKLNC-NSHDSACASA-N	305.378	1.026	50	20	DDGD	
Cn1ccc(C(=O)NNC(=O)C(C)(C)c2ccccc2)cc1=O	731175177	USONWBRJVWZYJA-UHFFFAOYSA-N	313.357	1.124	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)NC(=O)NNc1ccc(Cl)nn1	836627834	AQIPXQJLUFUBET-QMMMGPOBSA-N	309.761	1.121	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21)c1ccc2ccccc2n1	905018688	YOSRJQKBTANMQJ-WKPIXPDZSA-N	309.325	1.221	50	20	DDGD	
O=C(NN=C1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1	730576468	GXZNRWYGWKNVHJ-CYBMUJFWSA-N	306.387	1.082	50	20	DDGD	
COCCCN(CCOC)C(=O)[C@@]1(C)C[C@H]1Br	906356732	ROYVMCHSWJPSDC-PWSUYJOCSA-N	308.216	1.671	50	20	DDGD	
CC1(C)C[C@@H]1CNC(=O)NNC(=O)[C@H]1COc2ccccc2O1	732825975	DTMQTMFIOJZBGV-ZWNOBZJWSA-N	319.361	1.203	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc(OC(F)F)cn1	836654412	NLTKYIKDKYLLPD-UHFFFAOYSA-N	302.281	1.882	50	20	DDGD	
CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccncc1	735451117	PGDYIXMMPINNDZ-UHFFFAOYSA-N	307.317	1.416	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)cc1)c1cccc(OC(F)F)c1	585016026	QRVSUJUAQYLAAW-NSHDSACASA-N	321.132	1.819	50	20	DDGD	
COc1cc(OC)cc([C@@H](NNC(=O)CC(C)(C)C)C(=O)O)c1	832057336	OISWZRAACIUQAB-CQSZACIVSA-N	324.377	1.887	50	20	DDGD	
CN(NC(=O)c1nnc2ccccc2c1O)C(=O)OC(C)(C)C	838369150	LCQHPIYOUFYMPH-UHFFFAOYSA-N	318.333	1.847	50	20	DDGD	
C/C(=C(/F)C(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1CC1	901350798	VALQMPVSFZQIEK-FLIBITNWSA-N	315.345	1.312	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1ccc(Cl)s1	839401824	CLSVHTMUSJEEFP-SNVBAGLBSA-N	315.826	1.820	50	20	DDGD	
O=C(O)COc1cccc(C=NNC(=O)[C@@H]2CCCCO2)c1	834987879	BOVJSXDLEUEISR-ZDUSSCGKSA-N	306.318	1.169	50	20	DDGD	
CC(C)c1nc(CCNCc2cccc(B(O)O)c2)cs1	585021303	SHXAPJWFXNFGBW-UHFFFAOYSA-N	304.224	1.279	50	20	DDGD	
CC[C@@H]1C[C@H]1CNC(=O)NNC(=O)c1cccc(N(C)C)c1	836591540	AEJSSQALMYPLCI-YPMHNXCESA-N	304.394	1.743	50	20	DDGD	
C[C@@H]1CCCN(C[C@@H](C)NC(=O)NNC(=O)CC(F)(F)F)C1	919913639	VZUUUDTUGQNWMS-NXEZZACHSA-N	324.347	1.390	50	20	DDGD	
CC(Cc1cnccn1)=NNC(=O)[C@@H](C)CN1CCCCC1	834932164	BVTIWWMUANPJOI-ZDUSSCGKSA-N	303.410	1.633	50	20	DDGD	
COCCOCC(C)=NNC(=O)[C@@H](C)CN1CCC(C)CC1	741162723	CBUZFAOBBJQSTI-AWEZNQCLSA-N	313.442	1.510	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(CSC)c1ccccc1	748257312	HHQDRUWZCPNBRC-LBPRGKRZSA-N	310.419	1.921	50	20	DDGD	
CC(=NNC(=O)c1csc(N2CCOCC2)n1)c1ccco1	916338619	QTUKIAZUJNFSCX-UHFFFAOYSA-N	320.374	1.727	50	20	DDGD	
COCCOCC(=O)NNc1ccc(OCC(F)(F)F)cc1	748694450	NLLHLSYOOANVSS-UHFFFAOYSA-N	322.283	1.734	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)CCC2CC2)c1	745040990	CZNDHVNHOJMBQS-UHFFFAOYSA-N	304.346	1.489	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)c1nccn2ccnc12	743333474	VWJVBCJDNQJMEI-UHFFFAOYSA-N	321.300	1.536	50	20	DDGD	
CC(C)(C)c1ccncc1CNC(=O)NNc1ccncn1	841590162	MIIGNLJPQFFPQG-UHFFFAOYSA-N	300.366	1.995	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1cc(F)c(OC)cc1OC	844275389	VXDQETILXXQGSZ-IZZDOVSWSA-N	309.293	1.939	50	20	DDGD	
O=C(Cn1cccnc1=O)NNc1ccc(C(F)(F)F)cc1	748500562	PZQVWZXGBZJIHC-UHFFFAOYSA-N	312.251	1.405	50	20	DDGD	
CC(C)[C@H]1CCC[C@H](NC(=O)NNC(=O)c2ncccn2)C1	841592656	VDFIUIMCKAQGQR-RYUDHWBXSA-N	305.382	1.635	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ncccn1)c1ccc(OC)cc1	841350132	FZBISFGMRHCNKY-CYBMUJFWSA-N	314.345	1.440	50	20	DDGD	
N#CC1(CNC(=O)NNC(=O)COc2ccc(F)cc2)CCC1	842196123	GAKBYCJDTKSOFR-UHFFFAOYSA-N	320.324	1.229	50	20	DDGD	
Cc1ccc(F)c2c1NC(=O)C2=NNC(=O)[C@@H]1CCO[C@H]1C	842551960	AALWFUUJTOMYMM-DTWKUNHWSA-N	305.309	1.332	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cnc3ccccc3n2)n1	744742171	CQWVELBPMPEMCJ-UHFFFAOYSA-N	308.345	1.593	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C(C)(C)C	742469834	ITLQMHMNWBSORY-MARXPDLDSA-N	318.373	1.966	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)CC(F)(F)F)OCC1CC1	840427639	QNYCEZSSAMTJKP-UHFFFAOYSA-N	311.304	1.474	50	20	DDGD	
COCCCNC(=O)NN=Cc1cc(OC)c(OC)cc1F	844578478	JRRQKDLWIZYORP-UHFFFAOYSA-N	313.329	1.513	50	20	DDGD	
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NN(C)C[C@H](C)O	910161575	WLGVQQURJCLPED-AAEUAGOBSA-N	309.366	1.507	50	20	DDGD	
CO[C@@H](C=NNC(=O)COc1cccc(C)c1)[C@@H]1CCOC1	841607848	ZTLBGFJPVIRIBL-HIFRSBDPSA-N	306.362	1.527	50	20	DDGD	
Cc1c(NNC(=O)/C=C\c2cnn(C)c2)cccc1[N+](=O)[O-]	748681888	WKPQSIZMZYRYNI-SREVYHEPSA-N	301.306	1.793	50	20	DDGD	
Cc1nc(C(C)C)nc(O)c1C(=O)NNC(=O)C1CCCC1	747359893	NVRGQDYAZHVLCY-UHFFFAOYSA-N	306.366	1.565	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNC(=O)c1cc2ccccc2o1	749467775	PRUCKIYSHYZOEL-LBPRGKRZSA-N	301.346	1.678	50	20	DDGD	
CCOCC(=O)NN=Cc1cc(Br)cnc1Cl	842528379	RQBLVMUXBFCNDN-UHFFFAOYSA-N	320.574	1.984	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccccc1Cl	748661074	JMBLUSOJTULZLV-VIFPVBQESA-N	315.757	1.544	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NC[C@@]1(COC)CCCN1	841993042	FKJOAANZCRJEDN-QGZVFWFLSA-N	320.437	1.952	50	20	DDGD	
CCC(=NNC(=O)C(=O)NC(C)C)c1cccc([N+](=O)[O-])c1	915956174	SDKRTVOXXGTYBC-UHFFFAOYSA-N	306.322	1.350	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C[C@H](C)OC)cc1OC	749563185	JLSHMBUOFNEKAR-JTQLQIEISA-N	310.350	1.280	50	20	DDGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(F)c(S(N)(=O)=O)c1	840716435	XCFSRKGWAVXFQT-UXBLZVDNSA-N	310.350	1.995	50	20	DDGD	
CC(C)C[C@H](CN)NC(=O)NNC(=O)Cc1ccc(F)cc1	841953676	KNOHEJPQNCCNEB-CYBMUJFWSA-N	310.373	1.072	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1cc(C)c(O)c(O)c1	841617447	WPOSNQYYMWRGOO-UHFFFAOYSA-N	302.334	1.521	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)/C=C(/C)COC)cc1OC	845088764	ZMDWBTMGRAANKB-FLIBITNWSA-N	322.361	1.448	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@@](C)(O)C2CC2)cc1	841375194	BHFVGWSFBAFEQZ-HNNXBMFYSA-N	323.418	1.564	50	20	DDGD	
O=C(NCCc1ccccc1[N+](=O)[O-])NNC(=O)C1CCC1	743671469	BJOLINWUNKIQAG-UHFFFAOYSA-N	306.322	1.268	50	20	DDGD	
CC(CS(=O)(=O)c1ccccc1)=NNC(=O)[C@H]1CCO[C@H]1C	842551251	CKEWTYWVHIRDMG-JSGCOSHPSA-N	324.402	1.377	50	20	DDGD	
CCCC(=NNC(=O)Cc1cc(O)nc(O)n1)[C@H]1CC1(C)C	841628004	IWIWOXBIQQUKHU-SNVBAGLBSA-N	306.366	1.749	50	20	DDGD	
COc1cccc(CN(C)CC(=O)NNC(=O)C(C)(C)C)c1	744384400	NRVZPLLEJRWAEW-UHFFFAOYSA-N	307.394	1.321	50	20	DDGD	
Cc1nc(O)nc(O)c1CCC(=O)N(C)CC(Cl)Cl	848081169	ZRATUKOSUDHBJL-UHFFFAOYSA-N	308.165	1.391	50	20	DDGD	
Cc1cc(C)c(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1C	920383830	GZAYMDWEVFKBQX-AWEZNQCLSA-N	323.418	1.432	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2CCN(C(=O)C(C)C)CC2)o1	752524980	ULIPAKKLLSRTAD-UHFFFAOYSA-N	321.377	1.244	50	20	DDGD	
O=C(NNc1ncccn1)c1cnn(-c2ccc(Cl)cc2)n1	751588514	DNRRRHJWNHDSCL-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Nc2ccc(C)cn2)c1O	758000253	IXHLTTUYRDMFPW-UHFFFAOYSA-N	316.317	1.571	50	20	DDGD	
CO[C@](C)(C(=O)OC(C)(C)C)C(=O)N(C)CC(Cl)Cl	854478505	HXMWCDSJGSLJAD-LBPRGKRZSA-N	314.209	1.995	50	20	DDGD	
CCC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(C)cc1	920385120	VMMWWTJPHUFFDR-CYBMUJFWSA-N	323.418	1.595	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C[C@@H]1CCc2ccccc21	755678499	IUACONQJXXIGJZ-ZDUSSCGKSA-N	311.341	1.841	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(OCC2CC2)cc1	756552451	FPOFDBYMMSKSFM-UHFFFAOYSA-N	307.350	1.665	50	20	DDGD	
CN(CCn1cc([N+](=O)[O-])cn1)NC(=O)OCc1ccccc1	859387488	SYRXSZMELZZPLG-UHFFFAOYSA-N	319.321	1.565	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccc(C)cc1	858692240	SBTYBFCBABOICG-QWHCGFSZSA-N	318.377	1.055	50	20	DDGD	
CCCNC(=O)NN=C1CCN(c2ccc([N+](=O)[O-])nc2)CC1	853296282	ADRSGIPKPHZTBG-UHFFFAOYSA-N	320.353	1.655	50	20	DDGD	
CC1(CC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)CC1	758831394	LIHSQEZTSIPIGO-UHFFFAOYSA-N	315.329	1.053	50	20	DDGD	
C=C[C@H](C)NC(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	756971246	UUHFVYFVFJPBBY-VIFPVBQESA-N	323.349	1.231	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@@H]1CCCN1C1CCCC1	855090826	RLOWLRBELRPJHY-AWEZNQCLSA-N	324.494	1.689	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@H]2CCN(C(C)(C)C)C2)cn1	855286187	MKZYDEMCIIIECY-LVOZBFFPSA-N	301.394	1.316	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc([N+](=O)[O-])cc2OC)n1	757595589	UMBFGJIHDHSNEY-UHFFFAOYSA-N	318.289	1.764	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCCn2ccnc2C)nc1	759725556	RJRROQSRBCRURN-UHFFFAOYSA-N	317.349	1.297	50	20	DDGD	
CCn1cc(C(=O)C(=O)NNc2cccc3cnccc23)cn1	759662094	GGERDQAKWYRTKK-UHFFFAOYSA-N	309.329	1.777	50	20	DDGD	
CCOCCNC(=O)COC(=O)/C(C#N)=C/c1ccc(C)cc1	753439992	LWKQDFYZMLRGBV-XNTDXEJSSA-N	316.357	1.598	50	20	DDGD	
CCOc1nccc(C)c1C(=O)NNC(=O)CC(F)(F)F	855000178	CJVJBDBPSWXNHO-UHFFFAOYSA-N	305.256	1.502	50	20	DDGD	
C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(B(O)O)c1	928377989	BQANZRKQAXSKDH-RDTXWAMCSA-N	323.201	1.775	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)NCCN1CCCC1=O	923072388	GESWNCVXSNCXBL-UHFFFAOYSA-N	310.785	1.897	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H](c2ccco2)C1)c1cccc(F)n1	852710138	JCROYJIARNLKQS-JTQLQIEISA-N	318.308	1.658	50	20	DDGD	
Cc1cc(CNC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)ncn1	757212699	WMILZAXCLGHVHP-LHHJGKSTSA-N	320.356	1.527	50	20	DDGD	
Cc1cccc2c1OCCC2=NNC(=O)CN1CCCC1=O	920372037	ZHHMEXMLMTZPTF-UHFFFAOYSA-N	301.346	1.220	50	20	DDGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cn(CC(=O)O)nn2)c1C	759084162	NZRWOJBBUCTTSI-SDQBBNPISA-N	310.313	1.769	50	20	DDGD	
CC(=O)N[C@H](C(=O)NC[C@@]1(C)C[C@@H]1Br)C(C)C	857406087	ZGSXCZDAYIPOEO-JBLDHEPKSA-N	305.216	1.437	50	20	DDGD	
CC1(C)CCC[C@H](C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1	752728136	VPORUEUSRILKEU-RYUDHWBXSA-N	315.439	1.675	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CCOC2CCOCC2)n1	753340653	QRUUPFAAHDGBRS-UHFFFAOYSA-N	314.773	1.467	50	20	DDGD	
C#CCOc1cc(F)ccc1NC(=O)NNC(=O)COCC	756742804	OWHNSWSVKOUSAM-UHFFFAOYSA-N	309.297	1.027	50	20	DDGD	
O=C(NNc1cccc(Br)n1)c1cnc2n1CCC2	854900006	YKZCLDGBHWPSFP-UHFFFAOYSA-N	322.166	1.744	50	20	DDGD	
COCCC1CCN(C(=O)NNC(=O)c2cccc(C)n2)CC1	858411077	CXGROUFQUNDOSL-UHFFFAOYSA-N	320.393	1.493	50	20	DDGD	
C=CCCn1cc(C=NNC(=O)CNc2ccc(C)cc2)nn1	853262607	CMJCDRDDFXKOCD-UHFFFAOYSA-N	312.377	1.725	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)c2ccc[nH]2)C[C@H]1Br	856951189	QPRMNPSVXBGOIW-KCJUWKMLSA-N	315.171	1.132	50	20	DDGD	
COC(=O)NNC(=O)c1cccc(OCC(=O)OC(C)(C)C)c1	856757964	WUMULACYWJGGIV-UHFFFAOYSA-N	324.333	1.408	50	20	DDGD	
COCn1ccc(C(=O)NC[C@@]2(C)C[C@H]2Br)n1	857386311	SWRNKTVGYMZQBH-MWLCHTKSSA-N	302.172	1.390	50	20	DDGD	
Cc1nonc1CNC(=O)NC[C@@]1(C)C[C@H]1Br	856956197	PDMCJNIALOPGTL-PSASIEDQSA-N	303.160	1.351	50	20	DDGD	
CN1C(=O)CC[C@H]1C(=O)NNc1ccnc2cc(Cl)ccc12	753398607	GEXGAFXDGLKKBB-ZDUSSCGKSA-N	318.764	1.952	50	20	DDGD	
CCS[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1cn[nH]c1	858273500	ZTLORAZBMGLRKS-WDEREUQCSA-N	311.411	1.418	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(N2CCCCC2)nc1	755845167	QMGNXIQKKKNBOQ-UHFFFAOYSA-N	321.381	1.261	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1ccc(F)c(F)c1N(C)C	863123750	KQIZBOOZNLVOMV-GXSJLCMTSA-N	311.332	1.906	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNCC(F)(F)C(F)(F)F)C1	863098213	YSUMAEUYKJYRFL-SSDOTTSWSA-N	317.258	1.063	50	20	DDGD	
Cc1cc(NNC(=O)[C@]2(C)COc3ccccc3O2)nc(C)n1	863881160	KTFHNNLKLSWJSM-INIZCTEOSA-N	314.345	1.767	50	20	DDGD	
COCCC1(C(=O)NNc2ccnc(N(C)C)n2)CCCC1	761568965	LNWSNBZTYUKXTC-UHFFFAOYSA-N	307.398	1.583	50	20	DDGD	
CCCc1ccc(NC(=O)C(=O)NNC(=O)CC2CC2)cc1	764144227	WCLDASQWPWSIJP-UHFFFAOYSA-N	303.362	1.525	50	20	DDGD	
COc1ccsc1C=NNC(=O)C(=O)Nc1ccccn1	764695994	HAGPXCFMDYWFGB-UHFFFAOYSA-N	304.331	1.241	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)c1ccc(OC)cc1OC	865189605	YSRXTQAHPYNNRZ-UHFFFAOYSA-N	310.350	1.280	50	20	DDGD	
Cn1c(NNC(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)nc2ccccc2c1=O	932751094	GLZWRYZZANHXMG-RJTWHSRJSA-N	324.384	1.669	50	20	DDGD	
C[C@@H](NNC(=O)C[C@@H](n1cccn1)C(F)(F)F)C(F)(F)F	862322757	PFMPGJQBBLGIPV-RNFRBKRXSA-N	318.221	1.948	50	20	DDGD	
CN(C(=O)OC(C)(C)C)C(C)(C)C=NNC(=O)c1cn[nH]c1	863155074	VWCYWLSCCWYTRX-UHFFFAOYSA-N	309.370	1.771	50	20	DDGD	
O=C(NN=Cc1cncs1)c1nn(-c2ccccc2)cc1O	767765823	PQUCFUYSBCEXAW-UHFFFAOYSA-N	313.342	1.798	50	20	DDGD	
COC1CC(C(=O)NNc2ncc(Br)cn2)C1	862144688	DSHJKZXAMSTUMH-UHFFFAOYSA-N	301.144	1.107	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cc(C(F)(F)F)ccc1Cl	863865669	WZOPQBRIXNTBDL-UHFFFAOYSA-N	323.702	1.681	50	20	DDGD	
C[C@H](NNC(=O)C1CCN(CC(F)(F)F)CC1)C(F)(F)F	862310178	RDVMRXPHAZTKRS-ZETCQYMHSA-N	321.265	1.832	50	20	DDGD	
COCC(=O)COC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	869459184	AYEILXPURSFKDG-PTOFAABTSA-N	305.168	1.699	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)CC2(O)CCCC2)cn1	874953606	FYTXPCKIFHWGJZ-UHFFFAOYSA-N	324.406	1.103	50	20	DDGD	
Cc1ccc(F)c(C(=O)NNC(=O)Cc2cccnc2)c1F	766447723	MTTMTPLTCRDHQO-UHFFFAOYSA-N	305.284	1.672	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc2nc(O)[nH]c2n1	773711642	OLWVCQWVOQSOSB-UHFFFAOYSA-N	311.301	1.047	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1nc2ccccc2s1)N(C)C	873033996	RUJPEMKBIVNJDR-VIFPVBQESA-N	321.406	1.190	50	20	DDGD	
Cc1cc(OC(=O)c2ccc3nnc(O)n3c2)ccc1[N+](=O)[O-]	770111396	RDGNXQSHADJHIP-UHFFFAOYSA-N	314.257	1.871	50	20	DDGD	
Cc1cccc(NNC(=O)NCCc2cn3c(n2)SCC3)n1	875500866	XVJAINNCQOSLAF-UHFFFAOYSA-N	318.406	1.561	50	20	DDGD	
CC[C@@H](C)n1nc(C(=O)NNC(=O)CC(F)(F)F)cc1C	778502962	JAOUIGLKHONYOK-SSDOTTSWSA-N	306.288	1.876	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])C1=O	772215269	GSQZWKJDGHXXQC-MRVPVSSYSA-N	312.713	1.170	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2cn(C[C@@H]3CCCO3)nn2)o1	872356492	PSLXCYKJJNHGIM-LBPRGKRZSA-N	303.322	1.122	50	20	DDGD	
Cc1ccc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)cc1	771881513	JTHPNKVKMKPWBU-GFCCVEGCSA-N	306.362	1.734	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1	878772632	AOMPZSDBDKYLGP-NSHDSACASA-N	322.365	1.646	50	20	DDGD	
COc1ccnc(NNC(=O)C(=O)Nc2ccc(F)c(C)c2)n1	773724551	RGQXXPLDTZBKAQ-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
Cc1ccc2cccnc2c1S(=O)(=O)NNC(=O)N(C)C	777931501	YSQRPDHWTYXAOB-UHFFFAOYSA-N	308.363	1.008	50	20	DDGD	
O=C(NNc1cccnn1)c1ccc(-c2cncnc2)cc1F	775898245	TVBWFWCCCYTLSD-UHFFFAOYSA-N	310.292	1.830	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1CNC(=O)NNC(=O)c1cccnn1	883673167	YDBMNRKJDGNHJL-NWDGAFQWSA-N	305.382	1.637	50	20	DDGD	
O=S(=O)(CCCCl)NCC[C@H]1COc2ccccc2O1	881995373	NXLBVYJCQZDWPV-NSHDSACASA-N	319.810	1.765	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2ccc(C#N)cn2)C12CCC2	888373636	NDAXCYNRGLMYCW-QWHCGFSZSA-N	315.377	1.927	50	20	DDGD	
COc1cc(NNC(=O)N[C@@H](C)C(=O)N(C)C)ccc1Cl	788876818	YWOGWPQBRQSGAU-QMMMGPOBSA-N	314.773	1.451	50	20	DDGD	
O=S(=O)(CBr)N1CCC(n2ccnc2)CC1	271460013	YOLHVXFOCIEPBN-UHFFFAOYSA-N	308.201	1.202	50	20	DDGD	
O=C(NN=C1CCOC[C@@H]1CN1CCCCC1)c1cnccn1	787152052	PAZOIOPSJDSIKF-ZDUSSCGKSA-N	317.393	1.085	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)C2CCOCC2)cc1F	883086952	JOSOSXHBZQCBAH-UHFFFAOYSA-N	309.341	1.391	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCO[C@@H]2COCC[C@@H]21	888772372	IKPPVJPKBIVPDF-KTDOTMJKSA-N	316.332	1.749	50	20	DDGD	
O=C(CCCOCc1ccccc1)NNC(=O)C1CCOCC1	883062574	IZTAKFSQEYJKPS-UHFFFAOYSA-N	320.389	1.557	50	20	DDGD	
CCc1cncc(C(=O)NNc2nc(-c3cccnc3)no2)c1	789942899	UVRQOJAMTVXLBW-UHFFFAOYSA-N	310.317	1.846	50	20	DDGD	
Cc1cccc(CSCC(=O)NNC(=O)C2CCOCC2)c1	883059083	LIXIHKVRZCKKEK-UHFFFAOYSA-N	322.430	1.802	50	20	DDGD	
CCc1ccc(C(=O)NNc2ccc(C(=O)OC)cn2)c(O)c1	787156942	AQVHWHKUAVSEJM-UHFFFAOYSA-N	315.329	1.893	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc2c(c1)CCCC2=O	883070692	ZSHXPKLVOAIGIA-UHFFFAOYSA-N	316.357	1.393	50	20	DDGD	
Cc1nc(Br)ccc1NC(=O)NNC(=O)C(C)C	782607740	NGDHYOCUYFCMGL-UHFFFAOYSA-N	315.171	1.961	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)CCCCl)C[C@@H]1Br	882432392	IHUILTVCUMTAJP-YUMQZZPRSA-N	304.637	1.708	50	20	DDGD	
CCNC(=O)NNC(=O)C1CCC(NC(=O)C(C)(C)C)CC1	788744053	VXDNSOWTTMQRKF-UHFFFAOYSA-N	312.414	1.058	50	20	DDGD	
COC(=O)c1ccc(/C=C(/C#N)S(=O)(=O)NC2CC2)cc1C	899367775	AMPRXSNHVBELNQ-JYRVWZFOSA-N	320.370	1.728	50	20	DDGD	
CCc1noc(CCCC(=O)NNc2ccc(OC)cn2)n1	781527725	LVWZHJGOWYVAOP-UHFFFAOYSA-N	305.338	1.502	50	20	DDGD	
C[C@H](NC(=O)CCC(=O)NNc1cccnn1)c1ccccc1	896454752	AQAMFSAPPFXCSM-LBPRGKRZSA-N	313.361	1.577	50	20	DDGD	
COC(=O)N(C)N=C(C)[C@@H]1CN(Cc2ccccc2)CCO1	794958294	UMOOZKHCXFSXNH-HNNXBMFYSA-N	305.378	1.962	50	20	DDGD	
CC(=O)NN=C(c1ccc(Cl)c(S(N)(=O)=O)c1)C1CC1	794456402	VKIDLFYQAWAQMJ-UHFFFAOYSA-N	315.782	1.238	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Cc2ccc3n[nH]cc3c2)c1	793417677	FBOZBUAEODUHKO-UHFFFAOYSA-N	319.324	1.438	50	20	DDGD	
CO[C@@H]1CCN(CC(=O)NNC(=O)c2cccc(C)c2)[C@H](C)C1	799343745	MYOKDTQETDUQPE-UKRRQHHQSA-N	319.405	1.255	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	792812915	LLCSDPDNADDTQX-QMTHXVAHSA-N	324.377	1.526	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1ccc(N(C)C)cc1	790175940	JRVZKQZIGXIHSP-UHFFFAOYSA-N	303.410	1.434	50	20	DDGD	
COc1cc(NNC(=O)C(C)(C)S(C)(=O)=O)ccc1Cl	790188746	KPMYZWQRERTNBS-UHFFFAOYSA-N	320.798	1.615	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)C1(c2cccc(F)c2)CC1	798315716	OHZNKXBETAVEJF-UHFFFAOYSA-N	319.258	1.750	50	20	DDGD	
C=C(CBr)COC(=O)Cc1nc2ncccn2n1	795442979	LDAYKPUTZSMTBT-UHFFFAOYSA-N	311.139	1.161	50	20	DDGD	
CCOc1cc(C(=O)NNCC(F)(F)C(F)(F)F)[nH]n1	1329190786	INBFKOKXCXZCRQ-UHFFFAOYSA-N	302.203	1.240	50	20	DDGD	
CN[C@@H](C)CCNC(=O)NNC(=O)c1c[nH]c2ccccc12	1328723814	DZPOVJUMHZPXJQ-JTQLQIEISA-N	303.366	1.110	50	20	DDGD	
COCc1nocc1C(=O)NNc1ccc([N+](=O)[O-])cc1C	1324326755	IBABUFVSGMFJEB-UHFFFAOYSA-N	306.278	1.795	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)c1ccccc1Cl)C1CC1	1325009101	YHJUIQDDQSSVTH-GFCCVEGCSA-N	311.769	1.709	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1cc[nH]n1)c1ccc(F)cc1F	1320131253	DZRZYYXOXHRVND-MRVPVSSYSA-N	308.288	1.182	50	20	DDGD	
CC(=NNC(=O)CCN1CCC(C)CC1)c1cn(C)nc1C	1323441466	HMQISUICVGPDAQ-UHFFFAOYSA-N	305.426	1.691	50	20	DDGD	
O=C(NNC(=O)C1CCN(C2CC2)CC1)c1ccccc1Cl	1322272809	GPUJPKDMEQDUKE-UHFFFAOYSA-N	321.808	1.975	50	20	DDGD	
Cc1nc([C@H](C)NC(=O)NC[C@]2(C)C[C@@H]2Br)no1	1331336885	FXROOOPRDKKXAP-RASWFIQWSA-N	317.187	1.912	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1cc(OCC(F)F)ccn1	1332802382	YMHBTIXSDMOASZ-UHFFFAOYSA-N	318.280	1.138	50	20	DDGD	
COCc1nocc1C(=O)NC[C@@]1(C)C[C@@H]1Br	1261780405	MXLRXTYEWABWCD-GXSJLCMTSA-N	303.156	1.724	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CSCc1csc(C)n1	1342694144	YUUDJJYSSFAYNG-UHFFFAOYSA-N	302.425	1.377	50	20	DDGD	
Nc1nnc(CC(=O)NNc2cccc3c2CCCC3)s1	1346701534	VENHQEPOQONDSB-UHFFFAOYSA-N	303.391	1.685	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@@H](CCN)C2)C[C@H]1Br	1346513303	MYYJXBRMBYXVMA-CKYFFXLPSA-N	304.232	1.540	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)/C=C/c1nccs1	1519727417	WXNOTJUORMPBIU-VOTSOKGWSA-N	323.399	1.703	50	20	DDGD	
O=C(NNC(=O)C1CCC(Cl)CC1)c1n[nH]c2c1CCCC2	1520752923	GLQAOMQUSYXQIF-UHFFFAOYSA-N	324.812	1.847	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1ccc(-c2ccncc2)cc1F	1602071984	GRLULUABAOAGGF-UHFFFAOYSA-N	316.292	1.605	50	20	DDGD	
COc1cnc(F)c(NC(=O)NNc2ncccc2C(=O)O)c1	1604900954	YZFIFYCOAFWVQH-UHFFFAOYSA-N	321.268	1.471	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cc3n(n2)CCCO3)c(F)c1	1602383546	QHPNXCHQBZGLKR-UHFFFAOYSA-N	320.280	1.260	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)c1F	1602448111	MUROCYXREQAPIC-RKDXNWHRSA-N	304.281	1.494	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cccc(-c2nn[nH]n2)c1C	1605947885	GVOVUVGKGOPWFM-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CCc1ocnc1C(=O)O	1600566296	WAGSWAFZCLSEJE-UHFFFAOYSA-N	317.301	1.075	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cc(C)c(C(=O)O)o2)n1	1607959287	KPOIRUVTSUDFFM-UHFFFAOYSA-N	310.697	1.795	50	20	DDGD	
O=C(O)/C=C/c1cc(C(=O)NNC(=O)NC2CCCCC2)co1	1606063878	FCXXIYDOTIZDMP-VOTSOKGWSA-N	321.333	1.654	50	20	DDGD	
O=C(O)c1cc(C(=O)NNc2ccnc(F)c2)cc([N+](=O)[O-])c1	1610809987	GZPRGARTIQRNMF-UHFFFAOYSA-N	320.236	1.584	50	20	DDGD	
Cc1ccc2c(c1)C(=NNC(=O)[C@H]1CN3CCC[C@@H]3CO1)CC2	1549315697	CGDAOHRNLQEZFX-RHSMWYFYSA-N	313.401	1.625	50	20	DDGD	
CN(C)[C@@H]1CCCC[C@@H]1NC(=O)NNc1cccc(C(=O)O)c1	1610098377	DJOJHKNXMLUPQY-UONOGXRCSA-N	320.393	1.884	50	20	DDGD	
CC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC#N)C2	1800070318	CSGAIJLSZRDQHF-RNJOBUHISA-N	311.813	1.946	50	20	DDGD	
Cn1nncc1C=NNC(=O)[C@H]1CCCO[C@@H]1c1ccccc1	1549082996	GSFOZPMNSNPSIS-LSDHHAIUSA-N	313.361	1.433	50	20	DDGD	
COc1cccc([C@@H](N)C(=O)NNC(=O)c2ccc(C)o2)c1	1579264177	IPYDESFEHHXNGS-CYBMUJFWSA-N	303.318	1.058	50	20	DDGD	
COCCNCCNC(=O)NNc1ccc(Cl)c(C)c1	1579047151	CRZWHMUIJMRHSW-UHFFFAOYSA-N	300.790	1.511	50	20	DDGD	
Cc1cccc(NNC(=O)c2ccc(C)c(-c3nn[nH]n3)c2)n1	1581243926	FSHUSRKSGXCXAA-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@H](C(=O)O)C(C)C)n1	1589729009	ZZJCCGIULRZVFE-LLVKDONJSA-N	309.370	1.123	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(C#N)cc2)ncc1-c1nn[nH]n1	1580871457	REBRSJLACOUIOK-UHFFFAOYSA-N	320.316	1.199	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NC[C@H](C(=O)O)C1CCC1	1588717539	ARRBXVBSESSECS-VIFPVBQESA-N	301.343	1.226	50	20	DDGD	
Cc1nocc1C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1842493739	OZJLAPLNNFISDD-SNVBAGLBSA-N	315.732	1.334	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NC[C@@](C)(C(=O)O)c1ccccc1	1590037152	HEPHDIGASHFAMF-YBHKSSGVSA-N	302.330	1.589	50	20	DDGD	
COc1cccc(NNC(=O)/C=C/c2ccc(C(=O)O)o2)n1	1594131876	SPVOSOQPQWRTND-SOFGYWHQSA-N	303.274	1.538	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1noc2c1CCCC2	1595261906	LSJRERYUOSYLAE-UHFFFAOYSA-N	302.290	1.404	50	20	DDGD	
CCOC[C@H](C(=O)O)N(C)C(=O)[C@H](Br)C(C)(C)C	1596867536	ADLKZEXRSYGFFU-BDAKNGLRSA-N	324.215	1.744	50	20	DDGD	
CC(C)(CNC(=O)NNc1nc2cccnc2s1)CC(=O)O	1590726750	ZCVZGONSHGXZJR-UHFFFAOYSA-N	323.378	1.818	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2cc(C(=O)O)cn2C)c(O)c1	1776036385	GDOOETDFLGYCHR-UHFFFAOYSA-N	301.302	1.501	50	20	DDGD	
COC(=O)N(C)N=Cc1ccc(OCC(=O)O)c(Cl)c1	1776058921	LZDLEBRZFYHBMT-UHFFFAOYSA-N	300.698	1.836	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc(OC)c(C(=O)O)c1	1776117712	GFRSARFIZKVDJI-XFFZJAGNSA-N	304.302	1.063	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=Cc1sc(CC)cc1C(=O)O	1776102120	HEEWFPNXCPNWAP-GXSJLCMTSA-N	310.375	1.884	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc[nH]1)[C@H](F)Cl	1798678396	RKCPLNWMYJCDFY-WYFGTUCQSA-N	313.760	1.801	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Cc1n[nH]c(=O)c2ccccc12	17398345	YCYZPZOVYOAZAV-UHFFFAOYSA-N	318.333	1.022	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(Cl)c(Cl)n2C)[nH]n1	151222397	GPZAABMLBMILIZ-UHFFFAOYSA-N	316.148	1.438	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1CCn2cncc2C1	151195707	FQZZCZWMYIZFPO-SNVBAGLBSA-N	301.306	1.497	50	20	DDGD	
CC1CCN(CC(=O)NNc2ccc(C(C)(C)C)nn2)CC1	152435855	BNTSDZWANGSMFI-UHFFFAOYSA-N	305.426	1.949	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)c2cc(C)n[nH]2)c1	153012816	IZKTWLGSKVGACM-UHFFFAOYSA-N	302.334	1.257	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNc2ncccc2[N+](=O)[O-])[nH]n1	153047584	XZAWHVPCRGKBKK-UHFFFAOYSA-N	304.310	1.767	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)[nH]n1	153896197	XCYZVIYLFWGJCJ-RKDXNWHRSA-N	318.299	1.848	50	20	DDGD	
C[C@@H](O)C[C@@H](CNC(=O)NNc1ncccn1)c1ccccc1	155418001	MBDHFCGUVYAMJZ-OCCSQVGLSA-N	315.377	1.657	50	20	DDGD	
COc1ccccc1C(=O)NCC(=O)NNc1ccccc1F	155427633	DYKUSAZMWGCIPF-UHFFFAOYSA-N	317.320	1.707	50	20	DDGD	
O=C(Cc1ccc(O)cc1)NNC(=O)Cc1c[nH]c2ccccc12	154243654	DCFKVEIODCRAHZ-UHFFFAOYSA-N	323.352	1.806	50	20	DDGD	
CC(C)(C)OC(=O)NC1(CNS(=O)(=O)CCl)CCC1	831080825	JKKFMNZBQQCOCC-UHFFFAOYSA-N	312.819	1.550	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)Cc1noc2ccccc12	8302564	UTUYSIPKFLHZNL-UHFFFAOYSA-N	306.391	1.664	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)Cc1c(C)nn(C)c1C	58862158	UYVCNNKVDOGROZ-UHFFFAOYSA-N	315.377	1.741	50	20	DDGD	
Cc1cn(CC(=O)NNC(=O)c2ccccn2)c2ccccc12	50535444	GQVUTKKHVUVTEN-UHFFFAOYSA-N	308.341	1.806	50	20	DDGD	
Cc1sc(=O)n(CC(=O)NNc2c(F)cccc2F)c1C	118513520	YKKNMIDTQWNJCK-UHFFFAOYSA-N	313.329	1.948	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cnc(Cl)c(C)c1	117228417	VGJQZSHAQRJMDV-ZETCQYMHSA-N	305.787	1.399	50	20	DDGD	
CN(C)C(=O)c1ccc(C(=O)NNC(=O)CC(C)(C)C)cc1	103196383	CPZYWMCXEKPDQH-UHFFFAOYSA-N	305.378	1.586	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H](c1ccccc1)N1CCCCC1=O	110664185	RGJPQPAHTOMXIM-CQSZACIVSA-N	318.377	1.091	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@H](c1cccc(F)c1)N(C)C	178949991	GVSFEDWQKJKNBK-HFBDAHEESA-N	305.353	1.989	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCc1ccc2c(c1)CCO2	172032058	HULKMGBPSKVZRH-UHFFFAOYSA-N	305.378	1.541	50	20	DDGD	
Cc1cccc2c(=O)n(CCC(=O)NNc3cnccn3)cnc12	114878822	NXGPYNGURUMRQK-UHFFFAOYSA-N	324.344	1.028	50	20	DDGD	
O=C(NNc1cnccn1)c1cccc(OC[C@H]2CCCO2)c1	114880069	FKUVJRDAEUKXIY-CQSZACIVSA-N	314.345	1.791	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)c2ccc(C)o2)c(C(C)C)n1	176219558	JXYDIJSASLLATQ-UHFFFAOYSA-N	302.334	1.885	50	20	DDGD	
CC[C@@H]1CN(S(=O)(=O)CBr)[C@H](CC)CO1	403887875	PYSIQCOCNUBTBW-RKDXNWHRSA-N	300.218	1.558	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H]1COc2ccccc2O1	60388221	YHYQODOUQXEVHY-OAHLLOKOSA-N	312.325	1.596	50	20	DDGD	
CCn1c(NNC(=O)[C@H]2CC2(C)C)nc2ccccc2c1=O	123251257	RPLXVSZGGHIZRV-LLVKDONJSA-N	300.362	1.906	50	20	DDGD	
NC[C@H](NS(=O)(=O)c1ccc(CCCCl)cc1)C1CC1	124630489	MHXDGZUVTFFLHZ-AWEZNQCLSA-N	316.854	1.874	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc(=O)n(C)n1	181268548	RHOPFCHOZUIWLM-UHFFFAOYSA-N	309.329	1.394	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNc1cccc(S(C)(=O)=O)c1	181135400	FHHDFJLUBLDSMO-NSHDSACASA-N	312.391	1.514	50	20	DDGD	
CS[C@H](C)C(=O)NNC(=O)c1cc(-c2ccc(C)cc2)n[nH]1	127100855	BBPTXMVSJJDRLW-SNVBAGLBSA-N	318.402	1.898	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cc(C)n[nH]1)c1ccc(F)cc1	128235515	NIUFUDPRIOBYAS-GFCCVEGCSA-N	304.325	1.812	50	20	DDGD	
CS(=O)(=O)Nc1ccccc1C(=O)NNc1ccccc1	124064417	QELIQFWMTSUSAE-UHFFFAOYSA-N	305.359	1.815	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](C)Cc1cc(C)cc(C)c1	74769584	HNLGRSTWNFTTGS-CYBMUJFWSA-N	307.394	1.601	50	20	DDGD	
O=C(NNc1cccnn1)c1cc(Br)ccc1O	77032381	IPMRTKNSIFOHFB-UHFFFAOYSA-N	309.123	1.702	50	20	DDGD	
N#CC(C#N)=CNNC(=O)CSc1nc2ccccc2s1	78608205	VILQVQJCJRDJCP-UHFFFAOYSA-N	315.383	1.940	50	20	DDGD	
CC(C)(C)OCC(=O)NNc1nnc(-c2ccccn2)s1	188190706	SBTBXUFNLQDFPZ-UHFFFAOYSA-N	307.379	1.858	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)cc1F)NNc1ccc(F)cc1	121240148	PONQJHWDOBZARB-UHFFFAOYSA-N	323.274	1.977	50	20	DDGD	
Cc1c(C(=O)NNc2ncc(F)cn2)cnn1C1CCCC1	127207637	AEAMFSGEBRGXAK-UHFFFAOYSA-N	304.329	1.993	50	20	DDGD	
C[C@H]1CCC[C@@H]1NC(=O)NNC(=O)COCc1ccccc1	125917214	BYGKSCCUKOMQMA-JSGCOSHPSA-N	305.378	1.722	50	20	DDGD	
COc1cccc(NNC(=O)NCc2ccccc2OC)n1	180793849	IDGKPELMJANIPX-UHFFFAOYSA-N	302.334	1.925	50	20	DDGD	
Cc1nn(C)c(C)c1-c1cc(C(=O)NNc2ccccn2)[nH]n1	181248661	UNPAYAHUZIDWAT-UHFFFAOYSA-N	311.349	1.579	50	20	DDGD	
CN1CCO[C@@H](C(=O)NNc2ccc(OC(F)(F)F)cc2)C1	134283937	HXUJTSMTTCPNJF-LLVKDONJSA-N	319.283	1.359	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)COc1ccccc1F	73302150	IMWCMOCHHKSKKT-UHFFFAOYSA-N	317.320	1.464	50	20	DDGD	
C=C[C@@](C)(CC)C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12	134905561	NAJRTEZKWZNMGQ-INIZCTEOSA-N	314.345	1.286	50	20	DDGD	
O=C(CCc1ccco1)NNC(=O)CCc1ccccc1O	132416150	SJWQLRPXJHTKBJ-UHFFFAOYSA-N	302.330	1.698	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)CN(C)C)Cc1ccc(Cl)cc1	89439581	KMGKAWHJLVWHOQ-NSHDSACASA-N	311.813	1.618	50	20	DDGD	
Cn1nccc1C(=O)NNC(=O)c1cc2ccccc2cc1O	132341266	CSSXDWZIMABJRJ-UHFFFAOYSA-N	310.313	1.354	50	20	DDGD	
C[C@H]1CCCN([C@@H](C)CNC(=O)NNC(=O)c2ccccc2)C1	46367230	XIFWDQJDMXKOHT-KBPBESRZSA-N	318.421	1.751	50	20	DDGD	
CCOC(=O)NNC(=O)CCc1nc(-c2ccccc2)no1	198349991	BWPHPNPLSYPJKS-UHFFFAOYSA-N	304.306	1.447	50	20	DDGD	
COc1ccc2sc(C(=O)NNC(=O)C(C)(C)O)c(C)c2c1	190075955	KHHPCXJGOCVVSI-UHFFFAOYSA-N	322.386	1.750	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2)on1)Nc1ccncn1	194135232	IIAIUDBBYFBSJB-UHFFFAOYSA-N	324.300	1.598	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNC(=O)c1cc(Cl)ccc1O	92716215	YQCJUKCYXXLSTP-UHFFFAOYSA-N	322.752	1.416	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNC(=S)N[C@H](C)C2CC2)c1	267560288	ANCCSWMIMGVFCL-SECBINFHSA-N	321.402	1.381	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NNC(=O)C(C)(C)F)[nH]n1	271111859	UTDDATXDWDGWDV-UHFFFAOYSA-N	320.324	1.594	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCc2ccccc2N)n1	279797671	JGRYCCWKKFHUAO-UHFFFAOYSA-N	301.350	1.452	50	20	DDGD	
CCCNC(=O)c1cccc(NC(=O)NNC(=O)C2CCC2)c1	272872975	VFLBDJAKWGMMNS-UHFFFAOYSA-N	318.377	1.779	50	20	DDGD	
CC(C)[C@H]1C[C@H](NC(=O)NNc2cncc(Cl)n2)CCO1	271782838	KDVVLGZAKIHAJL-NXEZZACHSA-N	313.789	1.960	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc(C#N)cc2)CCO1	271302384	UWGRDIIKHJNVEH-GXFFZTMASA-N	302.334	1.070	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)NCC(C)C	270523295	RSUDDKKNYOYIFG-UHFFFAOYSA-N	311.407	1.774	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)COc1ccccc1F	279614555	JMLGTHXZJMYADQ-WDEREUQCSA-N	322.336	1.357	50	20	DDGD	
CO[C@@H](C)CCC(=O)NNC(=O)c1ccc2c(c1)OCCO2	272727497	ALOQYNKCVGXPMJ-JTQLQIEISA-N	308.334	1.034	50	20	DDGD	
CO[C@H]1CN(C(=O)c2c(C)nn(CCCl)c2C)C[C@H]1OC	277960181	UFDRJIKDYBLDCO-TXEJJXNPSA-N	315.801	1.225	50	20	DDGD	
COc1nccnc1NNC(=O)C[C@H]1CCO[C@@H](C(C)C)C1	274134569	WDQWNMBXOSLLNC-NWDGAFQWSA-N	308.382	1.770	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@H]1Cc2ccccc2O1	370568869	NSJYHECZXHTSSM-MRXNPFEDSA-N	321.336	1.975	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)c1c[nH]c2ccccc12	285003050	IEAPBPZFDXGUTL-QWRGUYRKSA-N	315.329	1.128	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnn(C2CCCCC2)c1C	281339571	USGQEUHOYLDARE-UHFFFAOYSA-N	321.450	1.992	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCC(F)(F)F)c(O)c1	281299735	RKAYPXLPJJTKCN-UHFFFAOYSA-N	305.256	1.461	50	20	DDGD	
CC(C)[C@H](NC(=O)NNc1cc(Cl)ccn1)c1nncn1C	286948490	OGKGPHBVUWGYRS-NSHDSACASA-N	323.788	1.887	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@H]1[C@@H]1CCCO1	285180081	AMBMPQNHYILPRF-KBPBESRZSA-N	318.377	1.008	50	20	DDGD	
Cc1ncsc1CCC(=O)NNC(=O)Cc1ccc(F)cc1	298037071	GHLLEKWIQUSDPH-UHFFFAOYSA-N	321.377	1.913	50	20	DDGD	
CC[C@H]1CCC1=NNC(=O)Cc1csc(N2CCOCC2)n1	807959765	ZFQPDMRUKFOHOP-NSHDSACASA-N	322.434	1.814	50	20	DDGD	
Cc1nnc(O)c(C(=O)NNc2nccnc2C2CCC2)c1C	805472555	KBTXZBMBMJODDD-UHFFFAOYSA-N	314.349	1.613	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)c2cc(Cl)ccc2O)nn1	807959881	DTNORRGSCMHRHR-UHFFFAOYSA-N	307.741	1.982	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1ccn(-c2ccccc2)n1	292760185	VNRDOXWQIZGPOS-LBPRGKRZSA-N	315.333	1.204	50	20	DDGD	
CC(C)(C)Oc1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)nc1	295381583	KSEONDVDEFPVTK-ZDUSSCGKSA-N	321.377	1.589	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(C2CC2)cc1)[C@@H]1CCCO1	295183441	JHLUNRISKDXFPV-ZDUSSCGKSA-N	310.375	1.053	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)[C@H]1CCC(F)(F)C1	804958282	QVGUNGGPCKQWRO-VIFPVBQESA-N	308.292	1.541	50	20	DDGD	
COc1ccccc1/C(C)=C/C(=O)NNC(=O)[C@@H]1CCCCO1	295678148	XRPCUGJJOBINOH-RUMSDORHSA-N	318.373	1.815	50	20	DDGD	
O=C(COc1cccc(Cl)c1)NNC(=O)N=c1cc[nH]cc1	802033971	VJFCUDCBWJDJNA-UHFFFAOYSA-N	320.736	1.389	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H](C)Oc2cccc(F)c2)O1	294119959	FQWQFEWKKABQLT-CWSCBRNRSA-N	310.325	1.308	50	20	DDGD	
O=C(NNc1ccncn1)c1cc(Cl)nc(N2CCCC2)c1	295346246	BTCRQGPPGOYJQN-UHFFFAOYSA-N	318.768	1.882	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)c2ccc(O)c(Cl)c2)nn1	807972271	ANWMTFFVSLVVCK-UHFFFAOYSA-N	307.741	1.982	50	20	DDGD	
COCCCn1nccc1C=NNC(=O)c1ccc(O)cc1	802704399	QOKUWOPZCXCZHP-UHFFFAOYSA-N	302.334	1.389	50	20	DDGD	
CN(NC(=O)c1cccc([N+](=O)[O-])c1O)C(=O)OC(C)(C)C	297720294	QTYVPMOXCUTGFL-UHFFFAOYSA-N	311.294	1.812	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cc([N+](=O)[O-])n[nH]1	802830204	MZEOUOYFQWXRNG-UHFFFAOYSA-N	313.220	1.676	50	20	DDGD	
CCOc1ccc(NNC(=O)c2c(OC)ncnc2OC)cc1	294468534	VNSZTUWYVMDIJL-UHFFFAOYSA-N	318.333	1.649	50	20	DDGD	
CC1(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)CCOCC1	802100745	ACPAQZXSNONJHS-UHFFFAOYSA-N	321.333	1.385	50	20	DDGD	
O=C(Cc1ccc2c(c1)NC(=O)C2)NNC(=O)Nc1ccccc1	801988254	RVLKVWDSFMXTRC-UHFFFAOYSA-N	324.340	1.577	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)Cn1ccc2ccccc21	811641412	BIDOUNGEPXEUEL-AWEZNQCLSA-N	312.373	1.802	50	20	DDGD	
COC(=O)c1ccc(Br)c(NNC(=O)CC#N)c1	818751259	YEQFHIBFEJSQML-UHFFFAOYSA-N	312.123	1.592	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)C2CCCC2)[C@@H]1[C@H]1CCCO1	811909916	OFTVRQKVPDLNHV-CHWSQXEVSA-N	309.410	1.807	50	20	DDGD	
COc1ccc(C(=O)CCC(=O)NNc2ncncc2F)cc1	817076955	BBMKLZDSHGOTPR-UHFFFAOYSA-N	318.308	1.731	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1ccccc1-n1cncn1	815002683	MMEIKFNTPKQENS-UHFFFAOYSA-N	307.317	1.240	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)c1c(C)nc2ccccn12	812453469	YQMBGANUUTYTSZ-QWRGUYRKSA-N	318.377	1.322	50	20	DDGD	
COc1ccc2cccc(CC(=O)NNc3cnnn3C)c2c1	816770168	MDEYJXVONWBBSU-UHFFFAOYSA-N	311.345	1.663	50	20	DDGD	
C[C@H]1CCCC[C@H]1C(=O)NNc1nccc(N2CCOCC2)n1	819905049	WRTVSVMWDSCYGB-QWHCGFSZSA-N	319.409	1.583	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2cc(C)nn2C)ccc1C	816686663	APTWOFVDZMLKNY-UHFFFAOYSA-N	302.334	1.580	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)CNc1ccc(OC)cc1	812456075	NTVGESWNGZWYHH-RYUDHWBXSA-N	323.393	1.173	50	20	DDGD	
CC(=NNC(=O)c1cc(-c2cccs2)[nH]n1)c1cnnn1C	814876309	RSXBUVWBAVOGDV-UHFFFAOYSA-N	315.362	1.421	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1CCCOC1	727705567	VKHGFMTVENIWFQ-ZZTKBFGJSA-N	306.406	1.777	50	20	DDGD	
COCCC(COC)=NNC(=O)C(=O)Nc1ccc(C)c(C)c1	812224486	DLAOJHUMHYUDMR-UHFFFAOYSA-N	321.377	1.397	50	20	DDGD	
CCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)C1CC1	728511459	ONRJABBFOQQVCO-UHFFFAOYSA-N	314.345	1.442	50	20	DDGD	
O=C(C[C@H]1CCCCO1)NNc1ccc(-c2nn[nH]n2)cc1	826404282	UYIIJVLKNWACHL-GFCCVEGCSA-N	302.338	1.269	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1ccncc1Br	825222387	XWXWGYNGJDHCNZ-NTMALXAHSA-N	310.151	1.904	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)C[C@@H]2CC[C@H]3C[C@H]23)cc1	822196098	WANCUILFXFAGQF-YDHLFZDLSA-N	313.357	1.521	50	20	DDGD	
CC(=O)NC[C@H](CC(=O)NNC(=O)OC(C)(C)C)CC(C)C	496778834	ROJMUXLKPLHPIM-LBPRGKRZSA-N	315.414	1.731	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1ccccc1C(F)F	824536387	ZZERBXSTAMMNJU-UHFFFAOYSA-N	314.292	1.255	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cc2ccccc2nc1OC	490782692	KIJALMBKTWGASI-UVTDQMKNSA-N	311.341	1.913	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)/C=C\[C@@H]2CCOC2)cc1C	493675225	QUAIUTXVLAVBBO-KXQLTZBTSA-N	318.373	1.422	50	20	DDGD	
C=CCCOCC(=O)NNC(=S)NCCc1cccs1	820170021	YXOSUOGSTAMAJL-UHFFFAOYSA-N	313.448	1.379	50	20	DDGD	
C[C@@H]1CC[C@@H](C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)C1	824901170	XWCTWSKAHCLUCS-HTQZYQBOSA-N	321.772	1.794	50	20	DDGD	
COC(=O)NN=C1CC2(CCN(C)CC2)Oc2ccccc21	494108073	SMMQZIXUYZLWFQ-UHFFFAOYSA-N	303.362	1.994	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1Cc2ccccc2O1	826446447	MCQOYNADWSSTDW-CQSZACIVSA-N	322.328	1.314	50	20	DDGD	
CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)NNC(=O)NC	493990021	WLNVCOVIYWGJNV-UHFFFAOYSA-N	316.402	1.278	50	20	DDGD	
CC(C)c1nccn1CC(=O)NNC(=O)Nc1ccccc1	822760158	HAWRZVAWXQIVLY-UHFFFAOYSA-N	301.350	1.859	50	20	DDGD	
C#CCCCC(=O)NN=C1C(=O)Nc2cc(OC)c(OC)cc21	901320947	LYVDOCXBWDYNHR-UHFFFAOYSA-N	315.329	1.280	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1	823983701	ZPFOLEGWXCLVGU-LLVKDONJSA-N	323.393	1.991	50	20	DDGD	
CC(C)[C@H](NCc1ccc(B(O)O)o1)c1ccc(F)cc1F	585031176	SRALTPVUYBXSDB-HNNXBMFYSA-N	309.121	1.725	50	20	DDGD	
O=S(=O)(CCl)N(CCN1CCOCC1)c1ccccc1	820789792	OMMNJGKQAFLXJG-UHFFFAOYSA-N	318.826	1.351	50	20	DDGD	
C=C(C)[C@@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)OCC	823873134	JGLSICBIQWHMEU-CYBMUJFWSA-N	316.365	1.681	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NNc1cccc(F)n1	496644974	XOIJKHXMTZWRBS-SECBINFHSA-N	310.329	1.673	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCO[C@H](c2ccc(F)cc2)C1	827400328	GZDRGQSLDQUYNN-AWEZNQCLSA-N	323.368	1.002	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(F)c(C(=O)NNC(=O)N(C)C)c1F	824626819	DFOTVDXJGXCPFN-UHFFFAOYSA-N	302.237	1.097	50	20	DDGD	
CC[C@@H](C)[C@@H](NNC(=O)c1c[nH]c2ccccc12)C(=O)OC	905747038	HPTACKZEQAMMQV-QMTHXVAHSA-N	303.362	1.990	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)c1C	905099439	WXBCXQSOHDNVEX-DDTOSNHZSA-N	317.414	1.846	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(N2CCOCC2)c(F)c1	730215778	MFNHTYSFRLAAAT-UHFFFAOYSA-N	324.356	1.016	50	20	DDGD	
COC(=O)c1cc(C)cc(C(=O)NNC(=O)CC(C)(C)C)c1	839648520	AGUSHMYYAJFRLI-UHFFFAOYSA-N	306.362	1.979	50	20	DDGD	
CC[C@H](COc1ccccc1F)NCc1ccccc1B(O)O	585024623	ZXUKCTFQNSYZJK-CQSZACIVSA-N	317.169	1.453	50	20	DDGD	
O=S(=O)(CCl)N1CCC(Oc2ccc(F)nc2)CC1	831249571	WIKDTWYCLWFFKE-UHFFFAOYSA-N	308.762	1.590	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)C[C@@H]1Br	907067704	JBBPDXWMLKXNQB-FMSGJZPZSA-N	310.191	1.934	50	20	DDGD	
CC1CCC(N(C(=O)c2ccc(B(O)O)c(F)c2)C2CC2)CC1	584938496	HOHLVLAOVWAGSX-UHFFFAOYSA-N	319.185	1.689	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2cccc(Cl)c2Cl)CC1	838343743	DOVLCEQZIMMPIX-UHFFFAOYSA-N	302.161	1.963	50	20	DDGD	
CC[C@@H](Nc1ccccc1)C(=O)NNC(=O)c1cnn(C)c1	735471111	OURSGHWVLHBPAS-CYBMUJFWSA-N	301.350	1.072	50	20	DDGD	
COC(=O)/C=C\c1ccc(OC)c(OS(=O)(=O)CCl)c1	831339893	YTMBEFCFXIONAY-XQRVVYSFSA-N	320.750	1.786	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@]2(C)CCCCO2)cc1	839482659	JCLVCGOWPMPWEJ-MRXNPFEDSA-N	305.378	1.514	50	20	DDGD	
Cc1ccc(CNCc2ccc(B(O)O)cc2)c(N2CCCC2)c1	585029086	UVXWDSFCLCZUME-UHFFFAOYSA-N	324.233	1.565	50	20	DDGD	
CC[C@H](O)[C@H](C)C(=O)NNC(=O)CCc1ccc(OC)cc1	908269660	IWXYIJAELVHUSS-FZMZJTMJSA-N	308.378	1.182	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)CC(=O)O)c2ccccc2n1	832864578	NZNBUQKRXBQGCO-SECBINFHSA-N	315.329	1.415	50	20	DDGD	
CCO[C@@H]1C[C@H](NCc2ccc(B(O)O)cc2F)C12CCCC2	585027352	QXWYNTFHMNZORY-JKSUJKDBSA-N	321.201	1.333	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Nc2ccccc2C)nn1	738555545	BHNLURAXLJOJLT-UHFFFAOYSA-N	301.306	1.260	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNC(=O)COc1ccc(C)cc1	838671425	BESKVICCUVUNRR-KGLIPLIRSA-N	319.361	1.048	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cnn(-c2ccccc2F)c1	732143034	PCGSKDBOHWSXMM-UHFFFAOYSA-N	302.309	1.573	50	20	DDGD	
COC(=O)COc1ccccc1C=NNC(=O)C1CCCC1	901167633	UCGHZCUZCZFARI-UHFFFAOYSA-N	304.346	1.879	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@@H]1CC(=O)O	833016331	UMWZUKFAARVRDR-LLVKDONJSA-N	313.785	1.818	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cccc(OC)c1OC	901855379	RAKAYCJORQXNNW-VIFPVBQESA-N	316.379	1.059	50	20	DDGD	
CC[C@@H](NCc1ccc(B(O)O)o1)c1ccc(OC)c(OC)c1	585040494	LVIFKQQLQMIZLN-CYBMUJFWSA-N	319.166	1.218	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1c1ccccc1)[C@H]1CCCCO1	833235622	HXGNZXNISGDMLY-HUUCEWRRSA-N	317.389	1.372	50	20	DDGD	
CC(C)[C@H](c1cccnc1)N(C)C(=O)c1cccc(B(O)O)c1	584944161	PJSJTAMLVFCATO-MRXNPFEDSA-N	312.178	1.231	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2ccccc2S(C)(=O)=O)n[nH]1	732301487	AVPZSTLGEVQRJK-UHFFFAOYSA-N	322.390	1.694	50	20	DDGD	
CN(CC(=O)NNc1nccc2sccc12)C(=O)C1CC1	734247127	VILUKIWJPKSIQZ-UHFFFAOYSA-N	304.375	1.608	50	20	DDGD	
Cc1ccc(NNC(=O)NCCN2CCOCC2)c(Cl)c1	837323959	VMHOROYNIUDUSQ-UHFFFAOYSA-N	312.801	1.607	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)Cn2ccc3ccccc32)n1	834956535	PLMOGBNYZGQBKX-UHFFFAOYSA-N	310.361	1.711	50	20	DDGD	
O=C(NN=C1CSCc2ccccc21)[C@H]1CCS(=O)(=O)C1	915957197	GWWXHSLOWGLZND-NSHDSACASA-N	324.427	1.188	50	20	DDGD	
C[C@@]1(C(=O)NNc2cccc(S(C)(=O)=O)c2)CCCCO1	837513696	IOXZMZMMOLRDEO-AWEZNQCLSA-N	312.391	1.492	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1	833242841	OXSXOASPRNOSTQ-ZWNOBZJWSA-N	321.333	1.415	50	20	DDGD	
C[C@]1(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)CCCCO1	837607361	RDMPWXHIMKBCIX-MRXNPFEDSA-N	301.346	1.930	50	20	DDGD	
CO[C@H](C=NNC(=O)CCc1ccccc1O)C1CCOCC1	834955418	MDNCANRYZQWMTO-MRXNPFEDSA-N	320.389	1.868	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNc1cc(C(F)(F)F)ccn1	832956791	ABMIEXYGAWEZPJ-UHFFFAOYSA-N	318.299	1.706	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1nc(C(F)(F)F)co1	831826817	FMXKVXUXFVEJFH-WDSKDSINSA-N	322.243	1.271	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)CCc2ccccc2O)CCCCO1	839664512	YFYVQKQNKOJTPI-MRXNPFEDSA-N	306.362	1.431	50	20	DDGD	
Cc1ccc2[nH]c(C(=O)NNc3nnc(C)c(O)n3)cc2c1C	743295637	PPVPRMQLLIDELV-UHFFFAOYSA-N	312.333	1.741	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cc2c(s1)CCC2)[C@H]1CCOC1	743652106	KQOQFHZKZQDTRU-KOLCDFICSA-N	323.418	1.606	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1ccc(OC(F)F)cc1	748643202	HRMPYQUEHTVNQS-ZDUSSCGKSA-N	309.316	1.829	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1C[C@@H]2CCCC[C@]2(C(=O)OC)C1	848253845	ZIPVCHRIYHBBIU-UUMRHJKYSA-N	306.362	1.622	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H]2CCc3nnnn3CC2)cc1	846225068	GQNZXURNUGNSBL-NSHDSACASA-N	316.365	1.168	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)C1CCCC1)NC(=O)OC(C)(C)C	742533234	KZMVECSUBAOOBA-JTQLQIEISA-N	313.398	1.627	50	20	DDGD	
Nc1c(C(=O)NNC(=O)CCc2ccco2)cccc1[N+](=O)[O-]	749363368	OWDDUTJHRJTJPB-UHFFFAOYSA-N	318.289	1.164	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCC[C@@H]1C[C@H]2C=C[C@H]1C2	847403094	QTOLODJAYOTZMZ-SOUVJXGZSA-N	314.389	1.557	50	20	DDGD	
COCC[C@H](C)CNC(=O)NNC(=O)COCc1ccccc1	840399113	LBYAIZWGVJLWOP-ZDUSSCGKSA-N	323.393	1.206	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)OCCN2CCOC2=O)cc1	913229489	IRBHNRPWTPAOBS-JLHYYAGUSA-N	316.313	1.598	50	20	DDGD	
O=C(NNc1cccc(Br)n1)N[C@@H]1CCCNC1	841942294	ZXEGFXDJQXDZFS-MRVPVSSYSA-N	314.187	1.222	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCC1(C#N)CCC1	842196396	KODIKKBJMQJNSM-UHFFFAOYSA-N	316.361	1.262	50	20	DDGD	
COc1cccc2c1NC(=O)C2=NNC(=O)CC(F)(F)F	842524084	JIZVQVHYNQJVCB-UHFFFAOYSA-N	301.224	1.420	50	20	DDGD	
CO[C@H](CNC(=O)NNc1nc2ccccn2n1)CC(C)C	842186763	JWISNRCKIQDDCI-NSHDSACASA-N	306.370	1.417	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(CCCNC(=O)NNC(=O)C2CCCC2)C1	916460612	NXBWFCBGRZGNRC-OKILXGFUSA-N	324.469	1.875	50	20	DDGD	
NS(=O)(=O)C1(C(=O)NNc2cc(Cl)cc(Cl)c2)CC1	846007356	GFVFDBOPAICOJT-UHFFFAOYSA-N	324.189	1.258	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](C)c1ccc(Cl)s1	749982791	JKIDZNPJUHBJIE-LURJTMIESA-N	312.782	1.998	50	20	DDGD	
O=C(NN=C1CCN(C2CCCCC2)CC1)N1CCOCC1	745592262	SCXQCFXZBPZYBT-UHFFFAOYSA-N	308.426	1.813	50	20	DDGD	
Cc1nn2c(C=NNC(=O)[C@@H]3CCO[C@@H]3C)c(C)nc2s1	842560727	HINVWDFZXYPYSV-PSASIEDQSA-N	307.379	1.283	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@@]1(C)CCCNC1	841970178	KERPSLLVKUXYDJ-INIZCTEOSA-N	304.394	1.329	50	20	DDGD	
COC(=O)c1cccc([C@@H](NNC(=O)CC2CC2)C(=O)OC)c1	842149267	KZBYOJKRIJKJJU-CQSZACIVSA-N	320.345	1.108	50	20	DDGD	
CCc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)CCCN	841246771	GXKYIIDBTWRALC-UHFFFAOYSA-N	309.326	1.049	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=S)Nc1ccc(OC)nc1	755666400	CHRIDNFKDSXZBD-VIFPVBQESA-N	312.395	1.080	50	20	DDGD	
CN(C)C(=O)c1ccc(C=NNC(=O)CCc2ccccc2)[nH]1	752164820	LVTFNGHYFFUOIW-UHFFFAOYSA-N	312.373	1.799	50	20	DDGD	
CCN(CCNC(=O)NC[C@@]1(C)C[C@H]1Br)C1CC1	856831127	CEGRNZRIDYTJCL-DGCLKSJQSA-N	318.259	1.943	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1sc(CC(C)C)nc1C	854923622	BXMHLKQCNLBWPQ-UHFFFAOYSA-N	300.453	1.731	50	20	DDGD	
CCN(CC)[C@@H](C(=O)NN(C)C(=S)NC)c1ccccc1	854924284	STSSVNGOEODIIB-CYBMUJFWSA-N	308.451	1.537	50	20	DDGD	
CCN(CC(C)(C)O)C(=O)NC[C@]1(C)C[C@H]1Br	856954847	UWNQJNADGKACRE-SKDRFNHKSA-N	307.232	1.962	50	20	DDGD	
COc1ccccc1OCC(=O)NNc1ncccc1[N+](=O)[O-]	920957442	BGUGGAMYQJSUSA-UHFFFAOYSA-N	318.289	1.521	50	20	DDGD	
CC(C)[C@H](C)N(C)CC(=O)NNC(=O)c1cccc(C#N)c1	756485271	BMJKXEDAJCQNSA-LBPRGKRZSA-N	302.378	1.296	50	20	DDGD	
CCC[C@H](O)CC(=O)NNC(=O)c1cc(Br)c[nH]1	750091324	JFDKOGRKEQAKFK-QMMMGPOBSA-N	318.171	1.089	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=S)N[C@@H](C)C2CC2)c(O)n1	855100853	KDVAABKISNHGHU-VIFPVBQESA-N	308.407	1.311	50	20	DDGD	
O=C(/C=C\CCc1ccccc1)NNC(=O)C1CCOCC1	923049641	OHIDNMPNBUJHIE-UITAMQMPSA-N	302.374	1.749	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NNc2ncc(F)cc2F)C1	857868707	AFGQHPFVRDCICP-XVKPBYJWSA-N	307.304	1.892	50	20	DDGD	
C[C@@H]1COC[C@H]1NC(=O)NNC(=O)Nc1cc(F)cc(F)c1	926021392	WQQCIOSPEVLLCF-RDDDGLTNSA-N	314.292	1.335	50	20	DDGD	
COC(=O)N(C)CCNC(=O)[C@@H](Br)C(C)(C)C	855941864	HKTGIMGRDUINBX-MRVPVSSYSA-N	309.204	1.610	50	20	DDGD	
Cc1cnc(COCC(=O)NC[C@]2(C)C[C@H]2Br)o1	857387004	BVQXBFWHPADYQX-SKDRFNHKSA-N	317.183	1.789	50	20	DDGD	
CCC1(C)CCC(=NNC(=O)[C@H](C)NS(C)(=O)=O)CC1	751530252	ZSVXPVHPHGFIBO-NKUHCKNESA-N	303.428	1.387	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1cc(F)cc(F)c1O	757461422	OEKCZZMNUKFJFN-UHFFFAOYSA-N	311.288	1.133	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)CCCNC(=O)C(C)(C)C)C1CC1	855830829	UZLAZYPSTXPHNJ-LLVKDONJSA-N	311.426	1.513	50	20	DDGD	
COc1ccc(C(=O)NN=C2CCCn3nccc32)c(OC)c1	853304168	CGOLORBOBHJUIP-UHFFFAOYSA-N	314.345	1.828	50	20	DDGD	
O=C(NCC1CCSCC1)NNC(=O)c1cccc(F)n1	852711991	YBIRSHGQLHFSOA-UHFFFAOYSA-N	312.370	1.308	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C1CCc2ccccc2C1	750937127	REDZVIZTEKSMFP-UHFFFAOYSA-N	311.341	1.671	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)NNc2cnnn2C)c1C(C)C	857272816	HMVJROWZNPHDNW-UHFFFAOYSA-N	304.354	1.535	50	20	DDGD	
O=C(NN=C1CCCc2sccc21)[C@@H]1CN2CCC[C@@H]2CO1	853390471	YRRINZWDTDARCD-RISCZKNCSA-N	319.430	1.768	50	20	DDGD	
CC(C[C@H]1CCOC1)=NNC(=O)[C@H]1COc2ccccc2O1	751517423	WNNOAPJXJMBGFY-IUODEOHRSA-N	304.346	1.745	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2cc([C@H]3CCCO3)[nH]n2)cn1	855108038	SZFOMCLFTLPRJQ-ZRVMKQEGSA-N	312.333	1.540	50	20	DDGD	
CC[C@]1(C)CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)C1	758747724	KUQWZUAOSMCQSL-QGZVFWFLSA-N	314.389	1.441	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNc1ncccc1[N+](=O)[O-]	759301783	COFKICZNQUTVQQ-GMTAPVOTSA-N	307.354	1.694	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@H]1CCCCC1(C)C	757766070	WFQOFEYOPCUUSM-NEPJUHHUSA-N	315.414	1.337	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@@H](c2ccsc2)O1	759751253	NGPLTVVGLSMIJF-MFKMUULPSA-N	323.418	1.067	50	20	DDGD	
CC[C@@H](CC(=O)NNC(=O)c1cn[nH]c1)c1ccc(OC)cc1	862472281	JHCBZPHQUGDASW-NSHDSACASA-N	316.361	1.763	50	20	DDGD	
CCC1(CC)CN(CC(=O)NNC(=O)C(C)(C)C)CCS1	766994430	CFPJQVVOBGKPDB-UHFFFAOYSA-N	315.483	1.788	50	20	DDGD	
COC(=O)Nc1ccc(NCc2cccc(B(O)O)c2)cc1	864020232	LZRRDUSKIUMMJQ-UHFFFAOYSA-N	300.123	1.157	50	20	DDGD	
COc1ccc(OCC(=O)NN=C(C)c2ccnn2C)cc1	765994572	XFQMGPDEUQFHSG-UHFFFAOYSA-N	302.334	1.348	50	20	DDGD	
C[S@@](=O)Cc1ccccc1NC(=O)NNC(=O)CC1CC1	762928393	LGZFAUQFKQHNKV-OAQYLSRUSA-N	309.391	1.518	50	20	DDGD	
Cc1nn(-c2ccccc2)cc1C=NNC(=O)c1cnccn1	865993193	UQTCBYZONKQHTN-UHFFFAOYSA-N	306.329	1.735	50	20	DDGD	
O=C(NCCC[C@@H]1CC1(Cl)Cl)c1ccc(B(O)O)cc1	863886699	KBQZZXNGMFDTEB-SNVBAGLBSA-N	315.993	1.070	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2(C(C)C)COC2)c(OC)c1	932128861	IXNZFAYFMDYPGK-UHFFFAOYSA-N	322.361	1.137	50	20	DDGD	
C[C@@H](NNC(=O)Cc1ccc(OCC#N)cc1)C(F)(F)F	862314046	UIZZFFHCHJTFOD-SECBINFHSA-N	301.268	1.703	50	20	DDGD	
CCn1cc(C(=O)NNc2nccnc2OC)c(C2CC2)n1	868894029	MVVRGQWQVVHTHU-UHFFFAOYSA-N	302.338	1.336	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CC[C@H]2CC2(Cl)Cl)n[nH]1	869018248	IZVJOWLUXHIVHN-QMMMGPOBSA-N	319.192	1.382	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)c1c(F)cccc1F	864020673	QPPMMDMPHKVSGB-UHFFFAOYSA-N	324.258	1.944	50	20	DDGD	
COCCOc1ccc(C(C)=NNC(=O)c2cc(C)[nH]n2)cc1	764797614	SGACKMYGSBMNAR-UHFFFAOYSA-N	316.361	1.897	50	20	DDGD	
Cc1cccc([C@@H]2C[C@H]2C(=O)NNC(=O)[C@@H]2CCCCO2)c1	861851929	BKJZXUXSBHESHF-ZNMIVQPWSA-N	302.374	1.815	50	20	DDGD	
O=C(NN=CCC[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1	768772869	KSMNOHLMKQCNRX-MQYQWHSLSA-N	312.435	1.740	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H]1c1ccc(COC)o1	767933591	IZFXLDRUJUFHNQ-DGCLKSJQSA-N	323.393	1.509	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(-c2nnc(S)o2)cc1	768413350	QAVLEEJNCCRBBS-UHFFFAOYSA-N	321.362	1.331	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(-c2ccco2)s1	765121808	RWPWUYSAFMHLAE-UHFFFAOYSA-N	323.374	1.989	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)NNC(=S)Nc1ccc(C)c(C)c1	873763850	LQQHCOXGRDAUBX-UHFFFAOYSA-N	322.434	1.536	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CSc1ccc(Cl)cc1)N(C)C	873780392	KMOYZVMUHPZGIQ-SECBINFHSA-N	315.826	1.530	50	20	DDGD	
COCc1cccc(CC(=O)NNC(=O)CC(F)(F)F)c1	777780555	ADOXNUNJRZGPPG-UHFFFAOYSA-N	304.268	1.475	50	20	DDGD	
COC(=O)CSCCC(=O)NNc1nc2ccccc2[nH]1	870211808	GTRBGJKDLYXIIJ-UHFFFAOYSA-N	308.363	1.302	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)c3cc4ccccc4o3)nc21	770979122	DCXRPCUVVAQITK-UHFFFAOYSA-N	324.300	1.572	50	20	DDGD	
Cc1cccc(S(=O)(=O)NNC(=O)C2CCC2)c1Cl	775671377	DOOUCQMLCXSZKE-UHFFFAOYSA-N	302.783	1.758	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc(C(C)=O)cc2)n1	775406721	UJTVLAJSCDBCMO-UHFFFAOYSA-N	301.306	1.836	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2nccc3sccc23)cn1	1116070533	RJWPMBQVELQXBA-UHFFFAOYSA-N	313.342	1.547	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)NNc1nccnc1C(C)C	772876860	LVAQMDQMKGFBDK-UHFFFAOYSA-N	314.411	1.114	50	20	DDGD	
C=CCOCC(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	772967207	OCDZJVPXDRPWRC-SNVBAGLBSA-N	312.753	1.457	50	20	DDGD	
O=C1CCc2cc(NC(=O)NNC(=O)C3CC3)c(F)cc2N1	779928081	FGNPBFJBAUWITD-UHFFFAOYSA-N	306.297	1.273	50	20	DDGD	
CCc1ccc(OCC(=O)NNC(=O)CC(F)(F)F)cc1	878861032	NBGWKGVYNUDTTF-UHFFFAOYSA-N	304.268	1.728	50	20	DDGD	
Cc1cc(C)nc(NC(=O)C(=O)NNc2nc(C)cc(C)n2)c1	773485713	AIXLYDZRKXWMQW-UHFFFAOYSA-N	314.349	1.187	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(-c2ccccc2)nc1O	770543587	PYDHCSGQOBAFSI-UHFFFAOYSA-N	314.345	1.760	50	20	DDGD	
Cc1cc(C(=O)NNc2ncncc2Cl)c(N)c([N+](=O)[O-])c1	781834337	VFLVJUWOUIRAMY-UHFFFAOYSA-N	322.712	1.686	50	20	DDGD	
CCC1(CNC(=O)NNc2cccc(OC)n2)CCOCC1	787886451	OKTQWRDTXNWOJO-UHFFFAOYSA-N	308.382	1.923	50	20	DDGD	
COC(=O)C1(N(C)S(=O)(=O)CCCCl)CCCCC1	882022143	AXLCNDGGIJPQGP-UHFFFAOYSA-N	311.831	1.753	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1cc(C(C)=O)ccc1OC	887139161	DHKFLUOXFBWWCZ-UHFFFAOYSA-N	316.357	1.391	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)O[C@H](C(N)=O)C(C)C)c1	782447576	MHKQXVMWWBJWCV-VDBIKXPHSA-N	302.330	1.655	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)nc1	899660911	DEGMQMUXSFUJED-PKKJXTRXSA-N	306.369	1.790	50	20	DDGD	
COC(=O)[C@H](C)Oc1ccccc1/C=C(\C#N)S(C)(=O)=O	899343525	ZPOSIIXNQSERSY-MJWAUXSNSA-N	309.343	1.536	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@H]1CC[C@@H](C)C1	780787334	VVEBSIBZRVBTNI-YPMHNXCESA-N	305.378	1.757	50	20	DDGD	
CC[C@H](O)[C@H](C)C(=O)NNC(=O)CSc1ccc(C)cc1	899954668	ISJCGUBAELITFS-AAEUAGOBSA-N	310.419	1.642	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1ccccc1-c1ccno1	782252768	YJFSEIPDRMAVTR-UHFFFAOYSA-N	323.374	1.697	50	20	DDGD	
CCOC(=O)CCN(C1CC1)S(=O)(=O)CBr	782423342	NMYRQNCXFZMARV-UHFFFAOYSA-N	314.201	1.086	50	20	DDGD	
CCOCC(=O)NN=Cc1cnn(Cc2ccc(F)cc2)c1	780224760	HKOGQUXCOYXXSZ-UHFFFAOYSA-N	304.325	1.557	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)C[C@@H]1NC(=O)c2ccccc21	896033861	RGXRFKYXBXUVEH-AWEZNQCLSA-N	315.373	1.589	50	20	DDGD	
CC[C@H](C)CC[C@@H](O)CC(=O)NNC(=S)NCCSC	793763972	DLNOINADMPQIQH-WDEREUQCSA-N	321.512	1.422	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42	793207804	SIATVRMVOOWFOT-BOXDVVJRSA-N	301.390	1.121	50	20	DDGD	
CO[C@H](C(=O)NNc1ccc2ccccc2n1)c1cnn(C)c1	798989189	GZEPGJBDQFNWGQ-HNNXBMFYSA-N	311.345	1.799	50	20	DDGD	
CCc1csc(NC(=O)NNC(=O)c2cccc(C)n2)n1	797631520	VZTWREVIPZDLLN-UHFFFAOYSA-N	305.363	1.875	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)Cc2ccccc2C)on1	793023601	ATXYDZRHYCFZQM-UHFFFAOYSA-N	315.329	1.853	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1nc2c(s1)CCCC2	790175958	KMQBJWWOXOQXQF-UHFFFAOYSA-N	321.450	1.703	50	20	DDGD	
CC(=NNC(=O)C(F)F)c1cc(S(N)(=O)=O)c(C)cc1C	794531007	QOBHZWMKHHMNHD-UHFFFAOYSA-N	319.333	1.056	50	20	DDGD	
CC(CN1C(=O)CCC1=O)=NNC(=O)c1ccccc1Cl	1084521214	XZZFGKQGTWHNJH-UHFFFAOYSA-N	307.737	1.595	50	20	DDGD	
COc1ccc2cc(C(=O)NNC(=O)c3cnn(C)c3)ccc2c1	1318562814	PKYJONLMLHIABF-UHFFFAOYSA-N	324.340	1.657	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1(Oc2ccccc2)CC1	1328581632	RVRJYXUKRJFTJK-AAEUAGOBSA-N	304.346	1.170	50	20	DDGD	
C=C(CBr)COC(=O)c1cccc(C(=O)NC)n1	1321080528	YVXYQSDVYPPSJD-UHFFFAOYSA-N	313.151	1.549	50	20	DDGD	
CC[C@@](C)(CNC(=O)NNc1nncc(N)c1Cl)OC	1324650712	JLCXCRUTJKZEPS-NSHDSACASA-N	302.766	1.153	50	20	DDGD	
C=C[C@@](C)(CCOC)C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1320877652	OAXGOUXPLAIGJS-INIZCTEOSA-N	320.393	1.278	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)c1ccccc1Cl)c1cnn(C)c1	1321187897	OCYXLDBMGVVWKB-GFCCVEGCSA-N	322.752	1.222	50	20	DDGD	
CC(C)(C)[C@H]1C[C@@H](NS(=O)(=O)CBr)CCO1	721892077	YCVASIUHHOOZOV-DTWKUNHWSA-N	314.245	1.852	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cc2c(cn1)OCCC2	1330816415	FEXCRBKQAGVGDN-UHFFFAOYSA-N	320.418	1.316	50	20	DDGD	
CC[C@@]1(C(=O)NNc2cccc(C(=O)O)c2C)CCNC1=O	1605133370	URKCHTYOEFMWQR-OAHLLOKOSA-N	305.334	1.053	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H]2CCO[C@@H]2C)ccc1-c1nn[nH]n1	1605652050	CDUGXYYIMPVXLJ-MFKMUULPSA-N	314.349	1.050	50	20	DDGD	
N#Cc1ccncc1C(=O)NNc1ccc(C(=O)O)c(F)c1	1601128469	NKKBQYCNOTUGLN-UHFFFAOYSA-N	300.249	1.547	50	20	DDGD	
O=C(O)[C@]1(C(=O)NNc2nc3ccncc3s2)CC=CCC1	1605935210	CNZBSCWRRQRPIT-CQSZACIVSA-N	318.358	1.946	50	20	DDGD	
Cc1c(NNC(=O)c2nnn(C(C)(C)C)n2)cccc1C(=O)O	1600054932	JWBRQVOAYVHRMK-UHFFFAOYSA-N	318.337	1.192	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(CC(=O)O)c2)c(C)o1	1607580435	YIJUBFYOPNYQOG-UHFFFAOYSA-N	316.313	1.598	50	20	DDGD	
O=C(/C=C/c1cc(C(=O)O)co1)NNC(=S)NCC1CCC1	1601233952	QLFFLQAWBAMGBV-SNAWJCMRSA-N	323.374	1.286	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@H](C(=O)O)C(C)(C)C)C1CC1	1603243351	QBMROQDMNNAFJJ-VXNVDRBHSA-N	301.412	1.027	50	20	DDGD	
O=C(CNc1ccccc1)NN=C1C[C@H]2C[C@H](C(=O)O)[C@H]1C2	1601329781	QYXZDVUYLJKXDY-RTXFEEFZSA-N	301.346	1.701	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@H]2CC[C@@H](CC(=O)O)C2)cn1	1600947642	VWSZPUVPAXPVGF-PVSJKVFUSA-N	302.334	1.087	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)NCCOC2CCCC2)cc1	1608780896	JBOKIKBOYNFLFA-UHFFFAOYSA-N	321.377	1.899	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)NCCCn2cccn2)cc1	1602128012	JYSXICULDUMKQZ-UHFFFAOYSA-N	317.349	1.227	50	20	DDGD	
O=C(O)C(=O)NN=Cc1ccc(Br)c(Cl)c1	1601635303	DAXVEIHTYLSZBX-UHFFFAOYSA-N	305.515	1.637	50	20	DDGD	
O=C(O)C(=O)NN=C1CCOc2c(Cl)ccc(Cl)c21	1610713970	AVQKHEMGPGFWQA-UHFFFAOYSA-N	303.101	1.681	50	20	DDGD	
Cn1cc([C@H]2OCCC[C@@H]2C=NNC(=O)c2ncccn2)cn1	1552454974	SWCBKVUSOAPSNV-YPMHNXCESA-N	314.349	1.094	50	20	DDGD	
CSCC[C@@H](N)C(=O)NNC(=O)c1ccccc1Cl	1579377727	TZKWWRGMWOZHCP-SNVBAGLBSA-N	301.799	1.181	50	20	DDGD	
C[C@@]1(C(=O)NNc2cc(C(F)(F)F)ccn2)C[C@H](N)CCO1	1576351163	XIILBVNSSQKQGN-SKDRFNHKSA-N	318.299	1.440	50	20	DDGD	
Cc1cc(Br)cnc1NNC(=O)C[C@@H](N)C(F)F	1579552551	CYTBQEZLLZWGCT-SSDOTTSWSA-N	323.141	1.578	50	20	DDGD	
O=C(NNc1cccc(F)n1)Nc1nccc([C@H]2CCNC2)n1	1580739516	HUOGATPWDFREPJ-VIFPVBQESA-N	317.328	1.236	50	20	DDGD	
CC[C@H](CNC(=O)NNc1cccc(C(=O)OC)c1C)C(=O)O	1589538502	LIEUBIMPVUUITG-SNVBAGLBSA-N	323.349	1.519	50	20	DDGD	
Cc1cnoc1C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1844617834	HPJIQVQMSGVWBB-JTQLQIEISA-N	315.732	1.334	50	20	DDGD	
CC(C)(C(=O)O)C(=O)NNC(=O)c1ccc(Cl)cc1F	1588618370	GNFSXIJCIBVDBT-UHFFFAOYSA-N	302.689	1.351	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1cnc(C2CCNCC2)o1	1580505843	LFVWVXHSULIJRJ-UHFFFAOYSA-N	320.393	1.483	50	20	DDGD	
C[C@H]1CCC[C@H](OCC(=O)NNc2ncccc2C(=O)O)C1	1589315993	VCXQZWYZJCJLSV-QWRGUYRKSA-N	307.350	1.818	50	20	DDGD	
C=CC[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843365790	JSWMYIWIUGUPEU-GHMZBOCLSA-N	302.777	1.936	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)CCC#N)C1	1842812068	LWCPEWSICXVUQO-LBPRGKRZSA-N	311.813	1.901	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNc1ncccc1C(=O)O	1593828831	BQRWBVRDLDUUOM-UHFFFAOYSA-N	309.322	1.202	50	20	DDGD	
C[C@H]1CC(=NNC(=O)NCC(=O)O)CN(Cc2ccccc2)C1	1594195705	BMSLDFXSGBNQLG-LBPRGKRZSA-N	318.377	1.268	50	20	DDGD	
O=C(NCC[C@@H]1CCSC1)NNc1ncccc1C(=O)O	1594754362	REXBGAWHDXABOO-SECBINFHSA-N	310.379	1.549	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CCCC(=O)O)c1C	1594407729	LZBVCBMAUOWTOB-UHFFFAOYSA-N	309.391	1.876	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1cc(O)nc2ccccc12	1595261685	GOLOIKSFZJVAQL-UHFFFAOYSA-N	324.296	1.791	50	20	DDGD	
C[C@@H]1CCC[C@@H](CNC(=O)NNc2ccc(CC(=O)O)cc2)O1	1594346021	KRHSGBQQEVUIKO-RISCZKNCSA-N	321.377	1.897	50	20	DDGD	
Cc1ccc2oc(C(=O)NNc3ncccc3C(=O)O)cc2n1	1594386216	QIZGQPUJWZTWOS-UHFFFAOYSA-N	312.285	1.986	50	20	DDGD	
Cc1cccc(COCC(=O)NNc2ncccc2C(=O)O)c1	1594403700	SHKOIBNOPRYDRO-UHFFFAOYSA-N	315.329	1.748	50	20	DDGD	
CN(CC(=O)NNc1ccc(C(=O)O)c(Cl)c1)C1CCC1	1598396543	LHILESARYGGDLQ-UHFFFAOYSA-N	311.769	1.966	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H]2C[C@@H]2C(=O)O)cc1C	1596724527	MMQAUOQFXCUMBQ-NEPJUHHUSA-N	306.318	1.336	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(C(=O)O)[nH]2)c([N+](=O)[O-])c1	1599597953	JIWGBIWHAQRCIR-UHFFFAOYSA-N	320.261	1.387	50	20	DDGD	
Cc1[nH]c(C=NNC(=O)c2cn3c(n2)CCCC3)cc1C(=O)O	1776105419	GBINJWAIHUKFIT-UHFFFAOYSA-N	315.333	1.318	50	20	DDGD	
O=C(NN=Cc1ccc(O)c(C(=O)O)c1)c1cccc(Cl)n1	1776092323	IEULORQHZZXTGP-UHFFFAOYSA-N	319.704	1.903	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1cc2[nH]c(C(=O)O)cc2o1	1776129884	ZUWFEYMAJWYFOA-UITAMQMPSA-N	317.301	1.519	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NNc1cccc(C(F)(F)F)c1	103276387	ZSPWKLZWDRKASK-UHFFFAOYSA-N	324.324	1.973	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCc1c(C)noc1Cl	109859556	JDUMBBXRPIYBSP-UHFFFAOYSA-N	311.729	1.062	50	20	DDGD	
CCCc1noc(CCCC(=O)NNC(=O)OC(C)(C)C)n1	58836386	GREPZRYPQGNVJM-UHFFFAOYSA-N	312.370	1.901	50	20	DDGD	
CCN(CCNC(=O)NNc1cccc([N+](=O)[O-])c1)C1CC1	102067652	MKXCQRLOAVTLEE-UHFFFAOYSA-N	307.354	1.705	50	20	DDGD	
COc1cccc(CNC(=O)NNC(=O)c2cccc(C#N)c2)c1	103502156	OBMABUSVBZOAJN-UHFFFAOYSA-N	324.340	1.711	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CC[C@H]1Cc2ccccc2NC1=O	119534644	OAXGJAYVOMXCIP-LBPRGKRZSA-N	318.377	1.316	50	20	DDGD	
CCCCOCC(=O)NNC(=O)Cc1c[nH]c2ccccc12	118304227	JPGPLVDFBMUXHF-UHFFFAOYSA-N	303.362	1.675	50	20	DDGD	
O=C(CCc1ccccn1)NNC(=O)c1cccc([N+](=O)[O-])c1	62863291	DWZPLEQHTWTJQB-UHFFFAOYSA-N	314.301	1.384	50	20	DDGD	
COCc1c(C(=O)NNC(=O)NC2CC2)oc2ccccc12	64429313	ZLUXWXSWNKJQAQ-UHFFFAOYSA-N	303.318	1.686	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H](C)N(C)c2ccccc2)nn1	106331556	ZXCHRQOUYCFRNG-CYBMUJFWSA-N	314.393	1.936	50	20	DDGD	
CC[C@@H](CC(=O)NNC(=O)N1CCOCC1)c1ccc(C)cc1	172343511	LEQPRWRGQBRPTR-AWEZNQCLSA-N	319.405	1.952	50	20	DDGD	
CC[C@H](Oc1ccccc1F)C(=O)NNc1nccc(OC)n1	175258448	CLAVTLIWSPPBPG-NSHDSACASA-N	320.324	1.925	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1	172182835	XDTFORSKANIOJT-MRVPVSSYSA-N	315.351	1.259	50	20	DDGD	
Cc1ccc(/C=C/C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1	68742326	WDSMVTKGBKEASY-HVHJFMEUSA-N	322.430	1.501	50	20	DDGD	
CC(C)[C@@H](C)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O	172156098	BXXHGHQAWWIEDB-LLVKDONJSA-N	316.361	1.631	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1ccc(OCC2CC2)nc1	178962534	KFBRDEADAGEHOK-SDNWHVSQSA-N	301.346	1.931	50	20	DDGD	
CC(C)[C@H](C)CC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1	67900171	CNAZTNABIFWXCR-LLVKDONJSA-N	316.365	1.106	50	20	DDGD	
CC1(C)C[C@@H](CNS(=O)(=O)CBr)CCO1	841528111	PJOWLIVFFAMFQR-QMMMGPOBSA-N	300.218	1.463	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2oc(C)cc2C)c1	175030211	VNPSHEJHHMZDJR-UHFFFAOYSA-N	317.345	1.778	50	20	DDGD	
CC[C@@H]1COC(C)(C)CN1S(=O)(=O)CBr	403905110	WQRNEVBUDBYSIH-MRVPVSSYSA-N	300.218	1.558	50	20	DDGD	
CCOc1ccccc1NC(=O)NNC(=O)Cc1cc[nH]n1	182829162	PZBJUDGSBCVQGN-UHFFFAOYSA-N	303.322	1.204	50	20	DDGD	
COc1ccc2c(c1)C=C(C(=O)NNc1ncc(F)cn1)CO2	123367052	LIBDTTDIGGKCFF-UHFFFAOYSA-N	316.292	1.543	50	20	DDGD	
Cc1c(C(=O)NN(C)C(N)=O)cnn1-c1cccc(Cl)c1	181073911	VGJLXWIMHGGDKI-UHFFFAOYSA-N	307.741	1.489	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2ccsc2)nc1C	182724474	QIIILKUOYWFAHA-UHFFFAOYSA-N	306.347	1.780	50	20	DDGD	
CCC[C@H]1C[C@H](C(=O)NNC(=O)c2ccccc2O)CCO1	183531120	ABVZUGTYPUQXEL-NEPJUHHUSA-N	306.362	1.749	50	20	DDGD	
COCCC1(C(=O)NNc2ccc(OC)cc2[N+](=O)[O-])CC1	121744431	XMLXLHMEILCZGT-UHFFFAOYSA-N	309.322	1.863	50	20	DDGD	
C[C@H](CCS(C)(=O)=O)NC(=O)/C(C#N)=C\c1ccc(F)cc1	183589550	KVVXRSVIAOVWIO-NASPGAHYSA-N	324.377	1.672	50	20	DDGD	
NC(=O)[C@@H]1CC[C@@H](C(=O)NNc2ccccc2C(F)(F)F)O1	188999127	KCPFZWLDZDZQGR-UWVGGRQHSA-N	317.267	1.181	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1	128988020	ULUQHRBMZNWNAF-UHFFFAOYSA-N	320.227	1.578	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)Cc1ccoc1	120713478	CYBSSMQFZHESJZ-UHFFFAOYSA-N	305.359	1.849	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc(CCOC)cc1	77710373	SUIYCXRXCYADOJ-LLVKDONJSA-N	314.407	1.231	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2cccnc2)ccc1F	187092902	NZNCJCBCVRZYIO-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
C[C@@H](CO[C@H]1CCOC1)NC(=O)NNc1cccc(C#N)c1	131170065	HUNRFSKEEWYZJI-FZMZJTMJSA-N	304.350	1.378	50	20	DDGD	
CCC[C@H]1CN(CC(=O)NNC(=O)c2ccc(C)cc2)CCO1	131710148	UHWQKYDZRXLREN-HNNXBMFYSA-N	319.405	1.257	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NCc2cccc(F)c2)n1	45608322	LGSJJPSQVJXTKC-UHFFFAOYSA-N	319.340	1.170	50	20	DDGD	
O=C(CCl)NCCc1nc2sc3c(c2c(=O)[nH]1)CCC3	49488609	SSNSYOXOQSYLBG-UHFFFAOYSA-N	311.794	1.371	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)C(N)=O)c1C	192760650	NRHWHRXMIBVBJI-GYBQTFJISA-N	302.378	1.412	50	20	DDGD	
CCN(Cc1ccccn1)C(=O)NNC(=O)Cc1cccnc1	84157309	RRKKYHFXWPMAPU-UHFFFAOYSA-N	313.361	1.282	50	20	DDGD	
CCOc1cccc(NC(=O)C(=O)NNc2ccnc(F)c2)c1	190311114	WBTCOALGYZLUIG-UHFFFAOYSA-N	318.308	1.701	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)NC(=O)CO3)n1	195307403	QAAGBBRHBJYDGQ-WDZFZDKYSA-N	323.312	1.297	50	20	DDGD	
CNC(=O)NNS(=O)(=O)c1cc(Cl)sc1Cl	98092831	NMIPCONQMKRFIR-UHFFFAOYSA-N	304.180	1.177	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cccc2[nH]ccc12	91821834	ZFNTWNNDBIKEDV-UHFFFAOYSA-N	308.432	1.640	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H](C)CN2CCC[C@H](C)C2)n1	248559067	MCNGAJPJIPYZAJ-STQMWFEESA-N	321.425	1.837	50	20	DDGD	
CN(C)N(C(=O)/C=C\C1CCCCC1)[C@H]1CCS(=O)(=O)C1	255571828	ZSZIKKQBQKBQLF-CKXPSTMWSA-N	314.451	1.615	50	20	DDGD	
CC[C@@H](Oc1ccccc1Cl)C(=O)NNC(=O)NC1CC1	267173823	UUTFSYDMISKELH-LLVKDONJSA-N	311.769	1.990	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)CC(C)(C)C)c(OC)c1	264065729	WWVUHDWSHDUFLM-UHFFFAOYSA-N	323.393	1.970	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ccccc2F)CCCC1	269577955	HCTFPPMTNXPQLN-UHFFFAOYSA-N	300.355	1.626	50	20	DDGD	
CN(CCNC(=O)NNC(=O)c1ccccc1F)C1CCCC1	264319341	OYLZFYGOWUDFRW-UHFFFAOYSA-N	322.384	1.644	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(OC2CCC2)cc1	266273609	OUBJPRGMLAJWIP-UHFFFAOYSA-N	321.377	1.598	50	20	DDGD	
CN(CC(=O)NNc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C	269602385	IOZHECYBBWNIPK-UHFFFAOYSA-N	324.337	1.905	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CSC[C@@H]1C(=O)N(CC)CC	269467683	JXNFKAMINJSSHF-JATZPVMKSA-N	311.407	1.200	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)N[C@H](C)C2CC2)c(OC)c1	264364847	LAXMLIJUJXDDOU-SECBINFHSA-N	323.418	1.611	50	20	DDGD	
Cc1cc(F)ccc1-n1ccc(C(=O)NNC(=O)C2CC2)n1	272915010	DYEKSTDJBQPADI-UHFFFAOYSA-N	302.309	1.491	50	20	DDGD	
CN(C)c1ccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)cc1	274207155	MRKVKMMYMHDVSU-UHFFFAOYSA-N	322.365	1.247	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNC(=O)c2cccn2C)C1(C)C	273517496	FJAAOESOPWRZPL-NEPJUHHUSA-N	305.378	1.428	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@@H]2CCc3n[nH]cc3C2)c1	367226575	NOBCAKZIZNSTPE-SECBINFHSA-N	316.752	1.578	50	20	DDGD	
CC(C)n1cc(S(=O)(=O)NNC(=O)OC(C)(C)C)cn1	274119780	YNAHRHYMDBVXNL-UHFFFAOYSA-N	304.372	1.182	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1cc(C)c(F)c(C)c1	275474190	MNIJHWLHZRDDEU-UHFFFAOYSA-N	303.359	1.297	50	20	DDGD	
CCC1(CNC(=O)NNc2nc3ccccn3n2)CCOCC1	276879674	LXABBJBSLSYVSA-UHFFFAOYSA-N	318.381	1.562	50	20	DDGD	
C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CC=C(C#N)CC1	272560664	BXBQTIPAMRCQRM-GFCCVEGCSA-N	313.357	1.940	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)C(=O)Nc2cncnc2)cc1	274676505	ZCGWRTQCSJOHFV-UHFFFAOYSA-N	313.361	1.856	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(CNC(=O)OC)cc1	273592755	PPEHWPTZDQWVAV-JTQLQIEISA-N	322.365	1.741	50	20	DDGD	
O=S(=O)(CBr)N1CC[C@H](C2CCOCC2)C1	374718390	TVKBSYRBRWYWOD-JTQLQIEISA-N	312.229	1.417	50	20	DDGD	
COC(=O)NNC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O	370385301	CEHXZPBTMYLLGJ-SNVBAGLBSA-N	311.725	1.080	50	20	DDGD	
COC(=O)c1n[nH]cc1NC(=O)[C@@H](Br)C(C)(C)C	281604560	OEIXFZZCAKPNDB-MRVPVSSYSA-N	318.171	1.944	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1n[nH]c2c1CCC2	288840011	WETSUKCPARVFIG-UHFFFAOYSA-N	301.306	1.872	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1nc2cc(Cl)ccn2n1	289621232	DPGQMXWTDHVKHZ-SSDOTTSWSA-N	310.745	1.582	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)C[C@@H]1CCCC(=O)N1	289452737	TXXSFUSRJBXXHI-AWEZNQCLSA-N	317.389	1.216	50	20	DDGD	
Cc1ccccc1[C@@H](C)NC(=O)NNC(=O)[C@H]1CCCCO1	297315433	GGQAUMDILMIMJL-TZMCWYRMSA-N	305.378	1.956	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)[C@H](C)Oc2ccc(F)cc2)nn1	807953853	ZFSUVNBYHJWYIO-NSHDSACASA-N	319.340	1.916	50	20	DDGD	
CC[C@H]1C(=O)N(CC)CCN1C(=O)NCCSSC	807232662	HZCCMHYKAHXIPQ-JTQLQIEISA-N	305.469	1.650	50	20	DDGD	
O=S(=O)(CCl)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1	705961129	DCSNRFLJVFXDJG-OKILXGFUSA-N	314.838	1.576	50	20	DDGD	
N#Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCCO2)cc1Cl	292759252	KLEPGBITRZQFSY-NSHDSACASA-N	308.725	1.543	50	20	DDGD	
COc1ccc2c(c1)[C@@H](C(=O)NNC(=O)[C@H]1CCCCO1)CC2	295665018	WINZIHUNMUEIAI-DZGCQCFKSA-N	318.373	1.442	50	20	DDGD	
CC(C)(C)c1ncsc1C(=O)NNC(=O)[C@@H]1CCCCO1	295642722	UFXPQWYNLOPVKD-VIFPVBQESA-N	311.407	1.771	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)c1ccc(Cl)cc1O	294982611	YJFQVSCQSSOERA-NSHDSACASA-N	300.742	1.622	50	20	DDGD	
CCn1nncc1C(=O)NNC(=O)C(C)(C)c1ccccc1	294048384	JDRJDGOFQFOYFE-UHFFFAOYSA-N	301.350	1.037	50	20	DDGD	
O=C1CCC[C@H](C(=O)NNC(=O)Nc2ccc(Cl)cc2)N1	802020451	WLFUUMGFAXXJRN-SNVBAGLBSA-N	310.741	1.161	50	20	DDGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cc([N+](=O)[O-])n[nH]1	803118744	BMRZMCZQTBGXSI-UHFFFAOYSA-N	317.092	1.777	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@@H]1CCCCO1)c1cccc(O)c1	297390429	WJRGNQUBQJTOLG-GWCFXTLKSA-N	307.350	1.353	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)C[C@@H]2CCc3ccccc32)CC1	807381679	DOEINAUPNJDYLL-AWEZNQCLSA-N	316.405	1.095	50	20	DDGD	
O=C(NNS(=O)(=O)c1cnc2ccccc2c1)C1CCC1	800835855	GFAMHQYILCRPSN-UHFFFAOYSA-N	305.359	1.344	50	20	DDGD	
CCOC(=O)CCCNC(=O)NNC(=O)c1ccccc1F	298695587	UGHCJSOINGLRHM-UHFFFAOYSA-N	311.313	1.113	50	20	DDGD	
O=C(c1ccccc1)c1nc[nH]c1C(=O)NN=c1cc[nH]cc1	807210979	FEEZTGBQQMDPRN-UHFFFAOYSA-N	307.313	1.215	50	20	DDGD	
Cc1nsc(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1C#N	297400729	KIKUVYSJOQCFCA-RCOVLWMOSA-N	309.351	1.043	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)Cc1ccncc1)OC	293839116	WVGKGVZVDJGPBI-UHFFFAOYSA-N	308.382	1.160	50	20	DDGD	
O=C(NNc1ccncn1)[C@H]1CCCN(c2ccccc2)C1=O	295523985	QOOLJEOLQLJPQU-CYBMUJFWSA-N	311.345	1.363	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cnc(C)nc2C)cc1	802052876	WRFLARXCGIZTJC-UHFFFAOYSA-N	315.333	1.569	50	20	DDGD	
COC(=O)N[C@@H](C(=O)NNc1cccc(NC(C)=O)c1)C(C)C	293885605	IZJYCSFQXQPEQO-CYBMUJFWSA-N	322.365	1.469	50	20	DDGD	
CO[C@@H](C)[C@@H](C)NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	811959659	TWVBRIPTAUEUFO-STDFNBFFSA-N	323.437	1.957	50	20	DDGD	
Cn1c(NNC(=O)c2cc(F)c[nH]2)nc2ccccc2c1=O	815603649	NCOSQIBGENJRKK-UHFFFAOYSA-N	301.281	1.158	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc3c(c2)C(C)(C)CO3)n1	810090913	ZUBUABBVNAUUIN-UHFFFAOYSA-N	314.345	1.912	50	20	DDGD	
O=C(NNc1nccc(N2CCOCC2)n1)C1(F)CCCCC1	810558999	ISBQNBWAAQACMN-UHFFFAOYSA-N	323.372	1.429	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@]1(C)CC1(F)F	817513009	NBFHNINLNLQNHA-ZDUSSCGKSA-N	308.288	1.449	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)Cn2cnc3ccccc32)CC1(F)F	817512873	JIIMVOOCRCZOBP-ZDUSSCGKSA-N	308.288	1.229	50	20	DDGD	
COC(=O)C(C)(C)CC=NNC(=O)CNc1ccccc1OC	814712481	ZWODUERQIHROMX-UHFFFAOYSA-N	321.377	1.798	50	20	DDGD	
O=C(NN=C1C(=O)Nc2ccccc21)Nc1ccc2c(c1)OCO2	814992173	GAHZKCNEPAPDCA-UHFFFAOYSA-N	324.296	1.893	50	20	DDGD	
CC(=O)Nc1cc(NC(=O)NNc2ncncc2F)ccc1F	814540157	PBOHXVJGABWFHW-UHFFFAOYSA-N	322.275	1.862	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CC[C@H]2CNc3cccc1c32	814865681	WHQWPFLNCGJTOG-NEPJUHHUSA-N	317.389	1.861	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)c1cccn2c(O)nnc12	816339044	JLCSJVWOWJZRBM-UHFFFAOYSA-N	317.280	1.340	50	20	DDGD	
COc1ccc(CNC(=O)NNc2ccccc2)c(OC)n1	812617658	UJLYWIVVIODBCZ-UHFFFAOYSA-N	302.334	1.925	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)C1(C(F)F)CCCC1	813424647	SATKYUOMYGOXBC-UHFFFAOYSA-N	301.293	1.936	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@@H]1Cc2ccccc2O1)C1CC1	727277269	KIMXYBSAIPHGLF-RNCFNFMXSA-N	305.403	1.284	50	20	DDGD	
CCCN(NC(=O)C1(S(C)(=O)=O)CC1)C(=O)OC(C)(C)C	495763225	XIQWSVVLALZEMD-UHFFFAOYSA-N	320.411	1.242	50	20	DDGD	
CC(C)(C)OC(=O)C1(C(=O)NNC(=O)NCC2CC2)CCC1	823804378	OBTUSJJLOQCYBY-UHFFFAOYSA-N	311.382	1.239	50	20	DDGD	
CCCOc1ccc(C(=O)NN(CC)CCO)cc1OCC	823834280	ZMHAHHPGAZNHDU-UHFFFAOYSA-N	310.394	1.833	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1cccc(O)c1	494625835	WKAVXLLXZQSHKY-UHFFFAOYSA-N	307.350	1.757	50	20	DDGD	
Cc1cccc2sc(NNC(=O)CN(C)C(=O)C3CC3)nc12	828362883	VBOSNXFDGRBESC-UHFFFAOYSA-N	318.402	1.916	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Cc1nnc(C)s1)c1ccccc1	827185039	LRJSPTVFOFRQPF-LBPRGKRZSA-N	318.402	1.730	50	20	DDGD	
CN(C)Cc1ccccc1CNC(=O)/C(C#N)=C/c1cnn(C)c1	491158156	CWPIYISOABVRMX-CAOOACKPSA-N	323.400	1.705	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C/c1ccc(F)c(-c2nn[nH]n2)c1	825285175	LXHIAQJNTMDLRD-YRNVUSSQSA-N	314.324	1.829	50	20	DDGD	
CCc1ccc(Br)cc1C(=O)NN(C)[C@H](C)CO	823384115	BZPMRUQWQNWTJL-SECBINFHSA-N	315.211	1.969	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCc2ccc(F)cc2F)cn1	490700774	VXKUTQGZRDDTKI-UUILKARUSA-N	302.284	1.922	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1cn(C)nc1-c1ccncc1	588555150	LTOABWJGNKZWKI-JYRVWZFOSA-N	302.359	1.781	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1cccc2cc[nH]c12	826974791	UKQZTGOODHSYOE-ZWNOBZJWSA-N	316.361	1.423	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNCC(F)(F)C(F)(F)F	827492302	BUFICOPTQCIVDO-PHDIDXHHSA-N	304.215	1.004	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1C	494743195	WTZQOASWPKUUDA-UHFFFAOYSA-N	321.377	1.589	50	20	DDGD	
CC1(C)CN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccs1	584990506	XWDPGNNSZJWZSW-AWEZNQCLSA-N	315.203	1.651	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc2c(c1)nc(O)n2CC	823956091	OZZDHOJNGHAWIH-UHFFFAOYSA-N	305.338	1.116	50	20	DDGD	
C[C@@H](CNC(=O)NNc1cccnn1)CNC(=O)OC(C)(C)C	493981340	KFVHRVUZRJJFCT-JTQLQIEISA-N	324.385	1.264	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1cccc(C(=O)O)c1	821125279	CSGGOHLXGKVHRE-UHFFFAOYSA-N	312.325	1.697	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@@H]1CC1(F)F	822195924	OAXGKOJNYZLURC-VIFPVBQESA-N	314.288	1.267	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)c1ccc2ccccc2n1)C(C)C	490960611	BWKGDTMBCGXGJU-CYBMUJFWSA-N	310.357	1.837	50	20	DDGD	
CC(C)OC1(CNCc2ccc(B(O)O)cc2F)CCCCC1	585029175	WQCISPWKOUCEGA-UHFFFAOYSA-N	323.217	1.723	50	20	DDGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cn(CC(=O)O)nn1	490726986	WPAACYYYPKKKQU-WDZFZDKYSA-N	311.301	1.217	50	20	DDGD	
Cc1ccccc1O[C@@H](C)CNCc1ccc(B(O)O)cc1F	585024832	DWRUBMDFIFGCBY-ZDUSSCGKSA-N	317.169	1.371	50	20	DDGD	
O=C(/C=C\C1CCOCC1)NNC(=O)c1c[nH]c2ccccc12	491865919	KJYINYBDPQRRFD-WAYWQWQTSA-N	313.357	1.912	50	20	DDGD	
Cc1c[nH]cc1C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	494337668	ZFKCVCFEGLMMON-UHFFFAOYSA-N	324.381	1.389	50	20	DDGD	
C[C@]1(c2cccs2)C[C@H]1CNC(=O)c1cccc(B(O)O)c1	584943937	HVLDLFLXUKHFBQ-LRDDRELGSA-N	315.203	1.136	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(C)c(C(=O)N(C)C)c1	494470076	MKPYRPQNZXWJJY-UHFFFAOYSA-N	308.338	1.479	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@]1(Cl)C[C@H]2CC[C@H]1O2	906483064	ANEZCFPUXACPGD-IOASZLSFSA-N	322.792	1.696	50	20	DDGD	
COC(=O)Nc1cccc(C(=O)NNc2ncncc2F)c1	495705332	DYMVWRZFVLPYRI-UHFFFAOYSA-N	305.269	1.551	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)c1ccc2nn[nH]c2c1	733808627	BQJZHVWYYAONJU-UHFFFAOYSA-N	305.301	1.658	50	20	DDGD	
COCCOc1ccc(C=NNC(=O)Cc2cccnc2)cc1	730462855	QXXDUYGKDYVLLU-UHFFFAOYSA-N	313.357	1.800	50	20	DDGD	
C[C@@H](OCCCNCc1ccc(B(O)O)cc1)c1ccccc1	585015442	ZAFOZONDHDPVQC-OAHLLOKOSA-N	313.206	1.624	50	20	DDGD	
O=C(NN=Cc1cc2cc(Cl)cnc2o1)N1CCOCC1	834948385	MKRIYLNUICSIQA-UHFFFAOYSA-N	308.725	1.857	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NNc1nc2ccccn2n1	491108886	YSSGLSRZRJPQSQ-XFXZXTDPSA-N	320.312	1.485	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNc1cc(F)c(F)cc1F	839683146	KXTXJXOFVZVWGA-ZETCQYMHSA-N	303.284	1.695	50	20	DDGD	
CC(C)(C)[C@@H](CC(F)(F)F)NC(=O)c1cccc(B(O)O)c1	584974712	IVKWFAIGKKJUKT-LLVKDONJSA-N	317.116	1.463	50	20	DDGD	
CCC1(CC)CCCN(C(=O)c2cc(B(O)O)ccc2F)C1	585008008	RTEXBNGCPVIFFD-UHFFFAOYSA-N	307.174	1.548	50	20	DDGD	
CCOc1ccc(NNC(=O)NC[C@@H](C)S(C)(=O)=O)cc1	838527202	NSBCHFPHHVUTRY-SNVBAGLBSA-N	315.395	1.145	50	20	DDGD	
O=C(Cc1cccc(OC(F)(F)F)c1)N1CC[C@H](B(O)O)C1	585064556	HPJLODITYYVNNP-JTQLQIEISA-N	317.072	1.203	50	20	DDGD	
COc1cc(C(=O)N2CC[C@H](B(O)O)C2)ccc1OCC(C)C	585075681	UGUAUAKDLGPRBO-ZDUSSCGKSA-N	321.182	1.419	50	20	DDGD	
COC1([C@@H](C)NCC(=O)NNC(=O)c2cccs2)CCC1	839660629	NRKCIUCSVSRGFZ-SNVBAGLBSA-N	311.407	1.056	50	20	DDGD	
C[C@H]1CCCN(CCCCNC(=O)NNC(=O)C2CCC2)C1	732240575	GAHZENFYCWKNQV-ZDUSSCGKSA-N	310.442	1.629	50	20	DDGD	
O=C(NN=Cc1ccc2ncccc2c1)[C@H]1CCS(=O)(=O)C1	730577103	ZUJJVIHCINZUTR-ZDUSSCGKSA-N	317.370	1.120	50	20	DDGD	
C[C@]1(C(=O)NCCOC[C@H]2CCCO2)C[C@@H]1Br	906712513	VPSQBYHZRYCKEU-SCVCMEIPSA-N	306.200	1.472	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccnn1C(C)(C)C	831688309	OSMNLMXIOGVXQE-VHSXEESVSA-N	309.370	1.216	50	20	DDGD	
CCC[C@@H](OC)C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	837803145	WMEFWBVSCCKKEQ-CYBMUJFWSA-N	322.361	1.114	50	20	DDGD	
CCn1ccnc1[C@@H](C)NC(=O)NNc1nc(C)cc(C)n1	836628639	UBJNBCULWPNOFQ-LLVKDONJSA-N	303.370	1.697	50	20	DDGD	
O=C(CCOC[C@H]1CCCO1)NNc1ccc(F)cc1F	733362322	YBXMXUFRXUOQCD-LLVKDONJSA-N	300.305	1.994	50	20	DDGD	
Cc1ccc(N(CC(C)C)C(=O)c2cccc(B(O)O)c2)cc1	584996357	GEWYCSSBKCWGIY-UHFFFAOYSA-N	311.190	1.978	50	20	DDGD	
O=C(Cc1csc(-c2ccc(Cl)s2)n1)NCB(O)O	585061211	NFWVLSKHNWRGNQ-UHFFFAOYSA-N	316.600	1.196	50	20	DDGD	
CCOc1ccc(NNC(=O)NC[C@@]2(C)CCC(=O)N2)cc1	838735772	VQYVFPWJMVHMII-OAHLLOKOSA-N	306.366	1.380	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cccc(SC(F)(F)F)c1	832749395	INKKKHBVMPFPJL-UHFFFAOYSA-N	322.308	1.830	50	20	DDGD	
CC(C)c1ncsc1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	831849536	ZHYNIFGRHROIHL-RKDXNWHRSA-N	312.395	1.844	50	20	DDGD	
COc1ccc(NNC(=O)CCSCC(=O)O)cc1Cl	833733051	ANCSSONAZGEVGB-UHFFFAOYSA-N	318.782	2.000	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@H]1CC12CCSCC2	830306329	CAZTUAPBIMLGAG-SNVBAGLBSA-N	303.391	1.706	50	20	DDGD	
CCCC(=NNC(=O)Cc1cc(O)nc(O)n1)C1CCCC1	834960065	CVCCYDPLDKDSNF-UHFFFAOYSA-N	306.366	1.893	50	20	DDGD	
C[C@@H]1CCCN([C@H](C)CNC(=O)NNC(=O)C2CCCC2)C1	916450494	PWPPVUCYNRVNFQ-CHWSQXEVSA-N	310.442	1.627	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cccc2c1OCCO2	917539352	FOKVJBXQRNXBHR-UHFFFAOYSA-N	305.378	1.640	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@](C)(O)[C@@H](C)c1ccccc1	747384048	QNHOSBSJQZMYCG-QFYYESIMSA-N	316.361	1.034	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NOCc2cccnc2)cc1	746722800	OVQPFQPVRNATPR-UHFFFAOYSA-N	311.301	1.029	50	20	DDGD	
CCNCCNC(=O)NNc1ccccc1OC(F)(F)F	841935035	DMLNPIVTUQHECY-UHFFFAOYSA-N	306.288	1.821	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1cnn(Cc2ccccc2)c1	842555112	JPXGZUBNJHMUSX-CJNGLKHVSA-N	312.373	1.807	50	20	DDGD	
CN(C)S(=O)(=O)c1cccc(C(=O)NN=Cc2cc[nH]c2)c1	745194428	VATDSTVVFAYYDF-UHFFFAOYSA-N	320.374	1.029	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCN(C)c2ccccc21	843977103	FSKDKKBDZSKJKZ-SCRDCRAPSA-N	317.389	1.183	50	20	DDGD	
C=C[C@H](CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccccc1	843658064	DNQXCWZAQXNCQB-NFAWXSAZSA-N	302.374	1.919	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCO[C@@H](c2ccccc2)O1)C1CCC1	847482194	RJHFVFYMCGTBFJ-CZUORRHYSA-N	304.346	1.438	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H]2CCC(=O)C2)c1C	843755118	AOLFZSKJBWVJEG-OLZOCXBDSA-N	318.373	1.587	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cn(CCCC#N)c2ccccc12	910154245	XVQVCUITJZAUIZ-ZDUSSCGKSA-N	314.389	1.902	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(C#N)cc2)[C@H](C)[C@H]1C	842167631	WOUXVWGVGFBZDT-FRRDWIJNSA-N	314.389	1.296	50	20	DDGD	
Cc1c(NNC(=O)NCC(F)(F)CN)cccc1[N+](=O)[O-]	841971415	QIRKZNGKZXYVBT-UHFFFAOYSA-N	303.269	1.123	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=Cc1cccc(O)c1	916372252	PMENMZJGANBNJF-BFHYXJOUSA-N	319.405	1.588	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1C[C@@]12CCCc1ccccc12	743339987	WFAYGQBONAWMBU-MAUKXSAKSA-N	324.384	1.773	50	20	DDGD	
C[C@@H]1C[C@H](CNC(=O)NNC(=O)CCc2ccccc2)[C@@H](C)O1	840436367	OVNBKHYKNABAEL-UMVBOHGHSA-N	319.405	1.763	50	20	DDGD	
CO[C@H](CC(=O)NNC(=O)NCc1ccco1)C(F)(F)F	845299704	MQXMHLAXTWRORN-MRVPVSSYSA-N	309.244	1.077	50	20	DDGD	
O=C(CNC(=O)C1CC1)NNc1ccc([N+](=O)[O-])cc1Cl	748732775	LMTKDJGKMXCLFA-UHFFFAOYSA-N	312.713	1.218	50	20	DDGD	
O=C(NCCc1cccs1)NN=Cc1ccc(C(=O)O)[nH]1	749815434	NZSIUIFRFMSOTC-UHFFFAOYSA-N	306.347	1.650	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)Cc1cn2ccccc2n1	747662111	HTINKSURQPAOBN-JTQLQIEISA-N	305.407	1.171	50	20	DDGD	
O=C(CNC(=O)NNC(=O)C1CCCC1)Nc1ccccc1	918232688	NHMRFZZZCZSWGE-UHFFFAOYSA-N	304.350	1.146	50	20	DDGD	
O=C(NN=Cc1cccc2c1OC(F)(F)O2)N1CCOCC1	841621416	FQHYJOVFCQZIRU-UHFFFAOYSA-N	313.260	1.384	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cnc(-c2ccccc2)[nH]1	747429070	FKVLLYSPHXGOSR-UHFFFAOYSA-N	321.340	1.475	50	20	DDGD	
CCOC(C)(C)CNC(=O)NNc1ccc(CC(=O)OC)cc1	845132291	ADYOWLUCOVGOQP-UHFFFAOYSA-N	323.393	1.843	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1cn(-c2ccccc2)nn1	842549247	IPDPEQDWTCQFSF-JSGCOSHPSA-N	313.361	1.533	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cnn(-c2ccccc2Cl)c1	910168690	QDWNQZITKJAUOY-JTQLQIEISA-N	308.769	1.483	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H]2CCn3ccnc3C2)n1	749241265	LMDJCJPIIMPUNC-VIFPVBQESA-N	306.757	1.341	50	20	DDGD	
Cc1cnn(CC(=O)NNC(=O)Cc2ccc3ccccc3c2)c1	740922991	BKUFBAQPAVNSBI-UHFFFAOYSA-N	322.368	1.735	50	20	DDGD	
O=C(NNc1cccnn1)C1CCN([C@H]2CCSC2)CC1	847715946	MFDIBWFQQDEOHR-LBPRGKRZSA-N	307.423	1.137	50	20	DDGD	
COc1cc(Cl)cc(C=NNC(=O)[C@H]2CCO[C@@H]2C)c1O	842560567	GSXKDRJCXNRQLA-KCJUWKMLSA-N	312.753	1.929	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CSc1ccccc1[N+](=O)[O-])C1CC1	844127967	WXGJYYCYXRGHHH-SECBINFHSA-N	323.374	1.880	50	20	DDGD	
CSCCCSCC(=O)NNC(=O)c1cccs1	840216273	XVCTXMFPUHBHLS-UHFFFAOYSA-N	304.462	1.995	50	20	DDGD	
CN(NC(=O)[C@@H]1CCc2ncncc2C1)C(=O)OC(C)(C)C	843906502	JNQQXEPXMFOWCZ-SNVBAGLBSA-N	306.366	1.480	50	20	DDGD	
C[C@@H](CCN)NC(=O)NNC(=O)c1ccc(Cl)cc1Cl	841968531	ZMVDKQMUWARSSR-ZETCQYMHSA-N	319.192	1.675	50	20	DDGD	
O=C(NNc1ccc(F)cc1)[C@@H]1CCCN1c1ncccn1	747353255	PXOVOCPICVVWEB-ZDUSSCGKSA-N	301.325	1.728	50	20	DDGD	
C[C@H]1C[C@H](C)CN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C1	744385257	UWYBNMVGYWMIED-STQMWFEESA-N	314.389	1.297	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)C[C@@H](C)OC)cc1	749719124	CARIALGVKZTZTF-SNVBAGLBSA-N	311.407	1.828	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)CCOc2ccccc2)CS1	840416899	NODGUOMOMCVBKO-VXGBXAGGSA-N	323.418	1.680	50	20	DDGD	
COc1ccc(CCNC(=O)/C(C#N)=C\c2cnn(C)n2)cc1	840732975	MKKMEPNTONXWAD-LCYFTJDESA-N	311.345	1.090	50	20	DDGD	
C[C@]1(CN2C(=O)[C@@H]3[C@H]4CC[C@H](C4)N3C2=O)C[C@H]1Br	925006475	WZKAXEHADNDYHF-XGJGVMOOSA-N	313.195	1.975	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(N2CCCC2)cc1C	755453985	XMHAOZFCJKJVRF-UHFFFAOYSA-N	306.366	1.394	50	20	DDGD	
CCNC(=O)NN=Cc1c(C)n(C)n(-c2ccccc2)c1=O	920824899	JAKJAYLIFDNKHD-UHFFFAOYSA-N	301.350	1.137	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@@]2(C)C[C@@H]2Br)CCOC1	856833513	OMEZNCRVNPPECE-MVWJERBFSA-N	305.216	1.886	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCCNC(=O)C(C)(C)C	853602237	OSKZJPHMSUJFGD-UHFFFAOYSA-N	310.373	1.923	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccccc1OCCOC	756212110	ITGFYWHCJUWECO-NSHDSACASA-N	309.366	1.911	50	20	DDGD	
N#CSCCCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2	854362563	SDGJTWGHKQGSMF-UHFFFAOYSA-N	323.330	1.700	50	20	DDGD	
C[C@@H]1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)[C@@H]1C	752317588	CEKFCAJRFMHAKM-VXGBXAGGSA-N	300.362	1.050	50	20	DDGD	
C[C@]1(CNC(=O)N[C@H]2CCCC[C@@H]2O)C[C@@H]1Br	856951946	HTKZYAJZDPKPBT-QFOLPQNPSA-N	305.216	1.763	50	20	DDGD	
COc1ncc(C)cc1NC(=O)NNC(=O)Cc1ccncc1	756849383	YGACZLHWWXLRJV-UHFFFAOYSA-N	315.333	1.189	50	20	DDGD	
O=C(N=c1cc[nH]cc1Br)NNC(=O)c1ccc[nH]1	757805921	PRBPXWGSWKSJGY-UHFFFAOYSA-N	324.138	1.061	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)Nc1ccsc1	757658294	SKVFJFBUTBQXPI-GFCCVEGCSA-N	319.342	1.741	50	20	DDGD	
C[C@H](C[C@H]1CCOC1)NC(=O)NNC(=O)Cc1ccc(F)cc1	759765337	ANZMBMGMRCHXCY-DGCLKSJQSA-N	323.368	1.514	50	20	DDGD	
CC(C)(C(=O)NC[C@]1(C)C[C@@H]1Br)S(C)(=O)=O	857689695	MYVDIKOSEVWQOI-XVKPBYJWSA-N	312.229	1.099	50	20	DDGD	
CCCn1nc(C)c(C(=O)NNC(=O)c2cccc(F)n2)c1C	856423613	XXJXKAJMRHOIIE-UHFFFAOYSA-N	319.340	1.519	50	20	DDGD	
CN(CC(=O)NC[C@]1(C)C[C@H]1Br)C(=O)C1CC1	857397034	IIVKAHIWZXBWDS-SKDRFNHKSA-N	303.200	1.145	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2nc3ccc(Cl)cc3s2)C1=O	856234496	ASEBEQQYIKKIND-MRVPVSSYSA-N	324.793	1.871	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNC(=O)CSc1ccc(C)cc1	758373149	CVJYEIDPAPTKMX-LLVKDONJSA-N	324.402	1.434	50	20	DDGD	
CNC(=S)N(C)NC(=O)C1(c2ccc(N(C)C)cc2)CC1	854921541	LHJBEHSAFYNLKB-UHFFFAOYSA-N	306.435	1.252	50	20	DDGD	
CO[C@@H](CC(=O)NNC(=O)OCC(F)(F)F)C(F)(F)F	856026361	VYDRJSKTFWHSMN-BYPYZUCNSA-N	312.166	1.274	50	20	DDGD	
C#CCN(CC(=O)NNc1cc(C)ccn1)C(=O)OC(C)(C)C	857149116	NZNOIGAAXPARBP-UHFFFAOYSA-N	318.377	1.703	50	20	DDGD	
CC[C@H](C)N(C)CCNC(=O)NNc1ncc(Cl)cn1	856856296	SLXQACKLBTVBCX-VIFPVBQESA-N	300.794	1.486	50	20	DDGD	
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NNc1ccc(Cl)cn1	852036549	WAFPJYBGYIZNTK-DTWKUNHWSA-N	313.789	1.664	50	20	DDGD	
O=C(NN=CCc1ccc(F)cc1)[C@@H]1CN2CCC[C@@H]2CO1	853388979	SBFRAOKLCPBXRK-CABCVRRESA-N	305.353	1.333	50	20	DDGD	
C[C@]1(CNC(=O)CN2CCCCCC2=O)C[C@H]1Br	857405252	YVKZLGUTMSTGIY-ZWNOBZJWSA-N	317.227	1.679	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C=NNC(=O)c2cc[nH]n2)C1	853392800	VNMVLFIJYJCIGZ-MEBBXXQBSA-N	319.365	1.382	50	20	DDGD	
COCc1cccc(NC(=O)NNC(=O)c2c[nH]nc2C)c1	755685950	DPELESTXIQABAH-UHFFFAOYSA-N	303.322	1.331	50	20	DDGD	
Cn1nnc2c1CC[C@@H](NC(=O)NNc1ccc(Cl)cn1)C2	852402660	PBAMBQGCMSANRU-SECBINFHSA-N	321.772	1.047	50	20	DDGD	
CN(C)C(=O)c1ccc(NC(=O)NNC(=O)C2CCCC2)cc1	755446489	UMRRNNUYBZHBQB-UHFFFAOYSA-N	318.377	1.731	50	20	DDGD	
Cc1noc(CCCC(=O)NNC(=O)OCC(F)(F)F)n1	856024985	HAPYPOYIYWAXFZ-UHFFFAOYSA-N	310.232	1.020	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)C(=O)NNC(=O)OCC(F)(F)F	856024208	MKTJFNDZTCTSBD-RXMQYKEDSA-N	309.244	1.715	50	20	DDGD	
CCCCNC(=O)NNC(=O)C[C@H]1C(=O)Nc2c(F)cccc21	930718324	PCLPATWFBHTXQA-SNVBAGLBSA-N	322.340	1.382	50	20	DDGD	
Cc1ccccc1[C@H](NC(=O)NNC(=O)c1cn[nH]c1)C1CC1	858704308	HKJQGYJDVFOAQV-CQSZACIVSA-N	313.361	1.813	50	20	DDGD	
CC(=NNC(=O)c1cc[nH]n1)c1ccc2c(c1)OCCCO2	853391912	AELXYBOYIJJRBT-UHFFFAOYSA-N	300.318	1.725	50	20	DDGD	
CCN1CCC[C@@H]1CNC(=O)NC[C@@]1(C)C[C@H]1Br	856870176	PZGPXBAIISUHRP-NQBHXWOUSA-N	318.259	1.943	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)[C@H]1C	858122126	QGOSPXXPLACZQM-RZGXBDKHSA-N	320.345	1.236	50	20	DDGD	
COc1cc(NNC(=O)[C@@H]2CSCC(=O)N2)ccc1Cl	935715208	PLMLYZLAJIUGDC-VIFPVBQESA-N	315.782	1.023	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(NC(C)=O)c(Cl)c1	930792056	ZDNNUJMEIBRONO-UHFFFAOYSA-N	312.757	1.652	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CCC(=O)N1)c1cccc(Cl)c1F	863151032	CGDCOPMCZWWEMV-NSHDSACASA-N	311.744	1.988	50	20	DDGD	
O=C1NCC[C@]1(C(=O)NNc1ncncc1Cl)C1CCCC1	861182503	NSPLLMIXNNEIDH-AWEZNQCLSA-N	323.784	1.270	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2[C@H](C)O[C@H](C)[C@@H]2C)cc1	863853174	AWDZCWQPUZKJMF-ZWUHOBOKSA-N	319.405	1.614	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@H]1CCN1C(C)(C)C)c1ccccc1	862994022	RZBOZEYRGHLALR-CQSZACIVSA-N	317.433	1.984	50	20	DDGD	
Cc1nocc1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	864471693	HOODENTZMMWIOV-UHFFFAOYSA-N	303.362	1.960	50	20	DDGD	
CN(C)CC(=O)NNC(=O)CCc1ccc(Cl)c(F)c1	863865493	ULITXIVSWHJTSK-UHFFFAOYSA-N	301.749	1.121	50	20	DDGD	
Cn1cccc1C(=O)NN=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	766003260	VHZONWNRJTXQRU-UHFFFAOYSA-N	317.261	1.605	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCSC1	762107649	BKVLBPSAMSFYGN-GFCCVEGCSA-N	308.403	1.528	50	20	DDGD	
COc1ccc(OC)c(CC(=O)NN[C@@H](C)C(F)(F)F)c1	862304620	DIHAVRYIUGDIBT-QMMMGPOBSA-N	306.284	1.818	50	20	DDGD	
O=C1N[C@@H](C(=O)NNc2ccccc2OC(F)(F)F)CCO1	860979610	MABPRLXITKNPHI-MRVPVSSYSA-N	319.239	1.527	50	20	DDGD	
C[C@@H](CC(F)(F)F)NC(=O)NNC(=O)Cc1cccnc1	766607251	VBJWBRRWFNQUET-QMMMGPOBSA-N	304.272	1.295	50	20	DDGD	
C[C@H](NNC(=O)C[C@@H](C)NC(=O)C1CCCC1)C(F)(F)F	862313033	WVPOTOHKLFVFHG-BDAKNGLRSA-N	309.332	1.643	50	20	DDGD	
CN(C)c1cc(C(=O)NNCC(F)(F)C(F)(F)F)ccn1	863093410	LIFDOFPQEBHLNS-UHFFFAOYSA-N	312.242	1.580	50	20	DDGD	
CN(C)C1(C(=O)NN=c2sc3ccccc3n2C)CCC1	762974035	SWGFPKQIWFEZFR-UHFFFAOYSA-N	304.419	1.656	50	20	DDGD	
CCCCCc1nnc(NC(=O)NN(C)CCOC)s1	877984025	WOHJBUMFRPXVAJ-UHFFFAOYSA-N	301.416	1.886	50	20	DDGD	
Cc1ccc(C(C)(C)CNC(=O)NNc2ncccn2)nc1	875816574	WBCDMJFLSAIXRN-UHFFFAOYSA-N	300.366	1.784	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1scnc1C(F)(F)F	1119508263	YLVDARTXVAKXIX-UHFFFAOYSA-N	323.296	1.350	50	20	DDGD	
COCOc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	879912241	BFUSPGHSINCZBD-GWCFXTLKSA-N	323.349	1.247	50	20	DDGD	
Cc1ccc(CNC(=O)NCC(=O)NNc2ccccn2)cc1	777472719	QZRAFZSJMUTTKU-UHFFFAOYSA-N	313.361	1.333	50	20	DDGD	
CC(C)[C@@H]1CN(CC(=O)NNC(=O)C2CC2)c2ccccc21	773977948	QUCMARURIUAMPI-AWEZNQCLSA-N	301.390	1.804	50	20	DDGD	
CC(C)[C@@H]1CN(C(=O)NNC(=O)c2ccc(C#N)cc2)CCO1	778639017	CPFCJUSYNRWTTM-AWEZNQCLSA-N	316.361	1.269	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1cnc(C)cn1	773620890	NDKWIXVBZMPWGL-UHFFFAOYSA-N	304.281	1.468	50	20	DDGD	
C[C@@H]1CCC[C@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)C1	1116120200	CMOGZVKCEZSULQ-MNOVXSKESA-N	304.394	1.876	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN[C@H](c2ccc(O)cc2)C1	870085703	PSSWFDFASZSGOX-HVCHUGMYSA-N	301.346	1.309	50	20	DDGD	
COc1ccc(F)c(NC(=O)NNC(=O)C2CCOCC2)c1	878906112	QNPQTJMFEOLVND-UHFFFAOYSA-N	311.313	1.414	50	20	DDGD	
CCCc1nc(C)c(NC(=O)C(=O)NNc2cnccn2)s1	777140914	FEBZDXPWLIPMKT-UHFFFAOYSA-N	320.378	1.276	50	20	DDGD	
COc1cc(C(=O)NNc2ccccn2)cc2c1OCCO2	777473549	NYKAHDLKTHVHII-UHFFFAOYSA-N	301.302	1.618	50	20	DDGD	
CC(C)[C@](C)(O)C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	770208350	HYSLBAQNGYRZFX-INIZCTEOSA-N	316.361	1.245	50	20	DDGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1ccncn1	778814188	IZIGOWBPQDYCHM-UHFFFAOYSA-N	316.708	1.937	50	20	DDGD	
CCC[C@@H](C(=O)NNC(=O)C(C)(OCC)OCC)C(C)C	788159102	VPNQPTMDPMTDCH-GFCCVEGCSA-N	302.415	1.995	50	20	DDGD	
Cc1cc(F)cc(-n2cc(C(=O)NNC(=O)C(C)(C)C)nn2)c1	788744814	YKOMRRCJSDEXQT-UHFFFAOYSA-N	319.340	1.522	50	20	DDGD	
CN(NS(=O)(=O)CC[C@H]1CCCCO1)C(=O)OC(C)(C)C	882255196	AAKNIUPSAHTUSS-LLVKDONJSA-N	322.427	1.647	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cccc(OC)n2)c1	780796838	LMGDHDXCGCSBFM-UHFFFAOYSA-N	301.302	1.634	50	20	DDGD	
Cn1nc(Br)cc1/C=C(\C#N)C(=O)N1CCCC1	782306011	OQFCVUPVVRNGGE-RMKNXTFCSA-N	309.167	1.712	50	20	DDGD	
COc1ccc2nc(NNC(=O)c3cnn(C)n3)c(C)cc2c1	786545022	VAROFDNIIKAAME-UHFFFAOYSA-N	312.333	1.437	50	20	DDGD	
O=C(CN1CCc2ccccc2C1=O)NNc1ccccc1F	789994373	QZYSZZQMFCPDJH-UHFFFAOYSA-N	313.332	1.967	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCC(=NNC(=O)c2cccc(C#N)c2)C1	788427794	RVCGOSIQXQIXES-CQSZACIVSA-N	319.386	1.631	50	20	DDGD	
Cc1cc(C)cc(OCCC(=O)NNC(=O)c2cccnn2)c1	893680795	CGEXBHWOYVAJPG-UHFFFAOYSA-N	314.345	1.324	50	20	DDGD	
CN1CCC[C@@H]1c1cc(C(=O)NNc2cccc(C#N)c2)n[nH]1	897149328	ADMSKJHLSDQPSB-OAHLLOKOSA-N	310.361	1.805	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)N[C@H]2CC[C@H](C)C2)cc1	780787868	XSYOFTSZKWFMRC-RYUDHWBXSA-N	321.377	1.593	50	20	DDGD	
C[C@H](OC(=O)CCCC[C@H]1CCSS1)C(=O)NC(N)=O	786590006	JXUAOMDZUWZRDD-IUCAKERBSA-N	320.436	1.827	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)COc1ccc(F)cc1	792808567	GQUMHQOXFVYHLP-IINYFYTJSA-N	312.341	1.413	50	20	DDGD	
O=C(NNc1ccccc1F)C(=O)Nc1cccc2c1CCO2	797005337	JEBGHMZXKVGHRX-UHFFFAOYSA-N	315.304	1.842	50	20	DDGD	
CCN(C)c1ccc(C(C)=NNC(=O)N2CCN(C)CC2)cc1	790175042	WGCBTFNNYYTYKA-UHFFFAOYSA-N	317.437	1.824	50	20	DDGD	
CC[C@@H](O)[C@H](C)C(=O)NNC(=S)Nc1ccccc1OC	899939399	NJNMKGBWAQBBCA-GXSJLCMTSA-N	311.407	1.420	50	20	DDGD	
NC(=S)c1ccc(C(=O)NN=c2cc[nH]cc2Cl)cc1	798338620	BMMVQFNICJVYTE-UHFFFAOYSA-N	306.778	1.548	50	20	DDGD	
Cc1nc2cc(C(=O)NNC(=O)NCc3ccco3)ccc2o1	792084175	IACFZPPKMWCSIB-UHFFFAOYSA-N	314.301	1.873	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1cccc2nn[nH]c12	791151848	WUSFGZPZAFTROC-UHFFFAOYSA-N	316.252	1.762	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C[C@@H]2CCCOC2)cn1	798125002	HENNAXPHTPCZKB-JTQLQIEISA-N	324.406	1.225	50	20	DDGD	
C[C@H](C[C@H]1CCOC1)NC(=O)NNc1nc2ccccn2n1	790426216	YGHGNYMAWZRURP-GHMZBOCLSA-N	304.354	1.171	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Cc2ncccc2OC)cc1	798152420	MPEACKXBKAMOJX-UHFFFAOYSA-N	313.357	1.656	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)nn1	792251582	UMBZDOIKQCTBCM-SNVBAGLBSA-N	324.385	1.324	50	20	DDGD	
C[C@@H]1CCC[C@@H](OCC(=O)NNc2nc3ccccn3n2)C1	791259390	QNJCIGHUTNLCOY-VXGBXAGGSA-N	303.366	1.768	50	20	DDGD	
CN1CCN(CC(=O)NNc2cc(Cl)cc(Cl)c2)CC1	791734969	TYKVRYXXQPCZKT-UHFFFAOYSA-N	317.220	1.684	50	20	DDGD	
CC[C@@H](C)CC(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1	791505533	UFMRVVBXLZQNAG-LLVKDONJSA-N	317.345	1.299	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)N[C@H]1C=CCCC1	1319083156	LZQLUVLYTJCHPL-SMDDNHRTSA-N	317.345	1.266	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1c[nH]c(Br)c1	1318617716	XXNWEFZNTOLNPB-UHFFFAOYSA-N	305.201	1.295	50	20	DDGD	
C[C@H](C[C@H]1CCOC1)NC(=O)NNc1nncc(N)c1Cl	1319224592	ROCJEEJJSFOVFB-HTQZYQBOSA-N	314.777	1.153	50	20	DDGD	
CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)CCl)c1	1319682242	ORGQTVFPZYHQNE-VIFPVBQESA-N	304.799	1.941	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)c1cncn1-c1ccccc1)C1CC1	1321175135	XTJHMZWETFQJQQ-AWEZNQCLSA-N	314.345	1.058	50	20	DDGD	
CN(C)c1nc2sc(C(=O)NNc3ccn(C)n3)cc2s1	1325427820	LURZAUUUUHTGDS-UHFFFAOYSA-N	322.419	1.914	50	20	DDGD	
Cc1cccnc1C(F)(F)C(=O)NNC(=S)NC(C)C	1322201784	YGAZZBCADUGDBC-UHFFFAOYSA-N	302.350	1.386	50	20	DDGD	
CCN(C(=O)C(=O)NC[C@]1(C)C[C@H]1Br)C1CCC1	1328961390	FDBYVTTXIOTQTD-MFKMUULPSA-N	317.227	1.677	50	20	DDGD	
CC(C[C@H]1CCCN1C(=O)OC(C)(C)C)=NNC(=O)CCO	1253303959	MBNYSVPLYWPNMX-GFCCVEGCSA-N	313.398	1.651	50	20	DDGD	
Cn1ccc(NNC(=O)CCc2nc(C3CCCC3)no2)n1	1256183275	CWHGSJRFHUFKGS-UHFFFAOYSA-N	304.354	1.537	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)[C@@H]1CCc2nnc(O)n2C1	1339026796	AEDZGYSBUKQZBA-SECBINFHSA-N	321.768	1.651	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)C1(O)Cc2ccccc2C1	1339396601	MLXZYXRSINKISK-UHFFFAOYSA-N	310.353	1.286	50	20	DDGD	
CC1CCC(OCC(=O)NNc2nncc(N)c2Cl)CC1	1256345903	CRBGRKQSSSCACJ-UHFFFAOYSA-N	313.789	1.751	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)[C@@H]1CCCN1C(=O)C1CC1	1335316758	WAGNIPXUSSAEOK-ZDUSSCGKSA-N	309.316	1.809	50	20	DDGD	
CCc1ccc(C#CC(=O)NNc2nncc(N)c2Cl)cc1	1330399301	XMCNPLCQRICYFM-UHFFFAOYSA-N	315.764	1.769	50	20	DDGD	
Cn1ccc(CCC(=O)NNC(=O)Cc2ccc(Cl)cc2)n1	1261231830	MYWFIQXQBAAWRA-UHFFFAOYSA-N	320.780	1.396	50	20	DDGD	
Cc1coc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c1C	1261129591	UJFSBJCHQIOGEC-NSHDSACASA-N	300.380	1.002	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)N[C@H]1CCCNCC1	1345152513	CKEGYZRCQDLCQD-JTQLQIEISA-N	310.785	1.426	50	20	DDGD	
CCCNC(=O)[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(O)cc1	1353858438	FOQZVCPCFCJDKT-NASPGAHYSA-N	301.346	1.330	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2cn3cccnc3n2)cc1	1608781950	VUIRENJONYALPG-UHFFFAOYSA-N	311.301	1.113	50	20	DDGD	
O=C(O)CCN1CCC(=NNC(=O)c2ccccc2O)CC1	1608722742	AUMIVKIEINPKQK-UHFFFAOYSA-N	305.334	1.049	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)/C=C\c2ccc(C(=O)O)o2)n1	1600511950	LPQWNTKZLQWAJE-VURMDHGXSA-N	315.285	1.156	50	20	DDGD	
CCOCC(=O)NN[C@@H](C(=O)O)c1ccccc1C(F)(F)F	1605618884	PTRCMTYVTXDAPY-LLVKDONJSA-N	320.267	1.488	50	20	DDGD	
C#CC[C@H](COC)NC(=O)NNc1ccc(C(=O)O)c(F)c1	1602683475	QFCCNRMESFIYMB-SNVBAGLBSA-N	309.297	1.188	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2cccc(C(=O)O)c2)cn1C	1600065276	HGLCDVUSJBUSSJ-UHFFFAOYSA-N	301.302	1.149	50	20	DDGD	
Cc1cccc(C(=O)NNc2ccc(C(=O)O)cn2)c1[N+](=O)[O-]	1607839756	WSAKUXHZPKXSQZ-UHFFFAOYSA-N	316.273	1.753	50	20	DDGD	
CC(C)n1cc(C(=O)NNc2ccc(C(=O)O)cc2F)nn1	1604033447	WEECCDBGQKRMCJ-UHFFFAOYSA-N	307.285	1.453	50	20	DDGD	
O=C(NNC(=O)[C@@]1(C(=O)O)C[C@H]1c1ccccc1)C1CCCC1	1601552727	FTYNWWYAPHFARP-SUMWQHHRSA-N	316.357	1.583	50	20	DDGD	
CC(Cc1ccsc1)=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549317397	KYSVYVHONPAWRK-ZIAGYGMSSA-N	307.419	1.646	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@H]1C=NNC(=O)c1cccnn1	1552925171	HUSNYPSMSDTWRH-FZMZJTMJSA-N	314.349	1.094	50	20	DDGD	
NCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](F)Cl)CC1	1827607595	IQIJYQACHVYVJO-AAEUAGOBSA-N	319.808	1.099	50	20	DDGD	
C[C@H](N)c1ccc(C(=O)NNc2ccnc(N(C)C)n2)cc1	1576166204	VVUPNCDNHNLXTA-JTQLQIEISA-N	300.366	1.319	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H](C)N	1575412637	CUAKXVDIWPFWDO-CPRYYRBXSA-N	321.465	1.970	50	20	DDGD	
O=C(O)CC[C@H]1C[C@H](C(=O)NNc2cccc([N+](=O)[O-])c2)CO1	1574685517	DRIDTLMNPBOGFA-CABZTGNLSA-N	323.305	1.308	50	20	DDGD	
NC[C@H]1OCC[C@@H]1C(=O)NNc1cc(Cl)nc2ncccc12	1580278064	CIIVKPLNHSFUTM-GXSJLCMTSA-N	321.768	1.090	50	20	DDGD	
O=C(NCc1ccnc(-c2nn[nH]n2)c1)C1CCC(Cl)CC1	1593147344	MWAKACWOEBCNJJ-UHFFFAOYSA-N	320.784	1.676	50	20	DDGD	
C[C@H]1CCCN(C(=O)C(=O)NNc2ccc(C(=O)O)c(F)c2)C1	1594379578	VAEHHOXANZUMFV-VIFPVBQESA-N	323.324	1.226	50	20	DDGD	
C[C@H](CN(C)S(=O)(=O)c1ccc(CCl)cc1)C(=O)O	1592589097	WFIGXSWJZBPLIT-SECBINFHSA-N	305.783	1.767	50	20	DDGD	
CCCNC(=O)NN=Cc1cc(C)c(OCC(=O)O)c(C)c1	1595925820	KZPMPNGYBWEHNI-UHFFFAOYSA-N	307.350	1.810	50	20	DDGD	
CC(C)(C)OC(=O)NNS(=O)(=O)c1ccc(C(=O)O)s1	1590232567	ICIPOGBIBIKJPF-UHFFFAOYSA-N	322.364	1.164	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1C[C@@H](C(=O)O)Oc2ccccc21	1596864308	UVEXGIXHNWRZQA-XPSMFNQNSA-N	302.286	1.309	50	20	DDGD	
N#CC1=CCN(C(=O)c2cc(-c3nn[nH]n3)ccc2Cl)CC1	1592671067	CXDDGVDXKDLXTR-UHFFFAOYSA-N	314.736	1.816	50	20	DDGD	
Cc1[nH]c(C=NN(CCO)C(=O)OC(C)(C)C)cc1C(=O)O	1776110392	BGQYJRHFEZNLBW-UHFFFAOYSA-N	311.338	1.585	50	20	DDGD	
Cn1nc(C(=O)O)cc1/C=C(\C#N)C(=O)NC1CCCCC1	1776133804	SCWVZTJWQQKWLK-JXMROGBWSA-N	302.334	1.474	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C/c1ccccc1OCC(=O)O	7165716	VRNLIWLMPANUMQ-UKTHLTGXSA-N	302.330	1.973	50	20	DDGD	
CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl	1793110487	UCDZDEKFOLVXBO-WRWGMCAJSA-N	316.829	1.270	50	20	DDGD	
Cn1c(C(=O)NNc2ccc(C(C)(C)C)nn2)cccc1=O	161725051	NWXIVLPECZEHHG-UHFFFAOYSA-N	301.350	1.230	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cc(F)cc(Cl)c1O	156147775	HWQZVOZJVDYHSJ-UHFFFAOYSA-N	323.711	1.583	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2ccc(C)[nH]c2=O)n1	155757543	VDRNBQDHRLEXTQ-UHFFFAOYSA-N	316.365	1.076	50	20	DDGD	
COC[C@H](CCO)NS(=O)(=O)c1ccc(CCCl)cc1	219849140	PVFBRLLQBSULPL-LBPRGKRZSA-N	321.826	1.144	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)c1ccccc1F	4960327	ROWUWEPGYNYHDT-UHFFFAOYSA-N	306.268	1.805	50	20	DDGD	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=S)NC(C)(C)C	8302340	MZRWSFWSTXSOJA-SNVBAGLBSA-N	320.418	1.619	50	20	DDGD	
CN(C)N(C(=O)CCCC(C)(C)C)[C@@H]1CCS(=O)(=O)C1	103361261	RYOVFWCGXAXEQY-GFCCVEGCSA-N	304.456	1.695	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@@H]1CCOc2ccccc21	102866364	WRSXAMZUYFZUMJ-CYBMUJFWSA-N	315.329	1.676	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1sccc1OC(F)F	104257164	FXTJAIVPSPHAAM-ZETCQYMHSA-N	306.290	1.290	50	20	DDGD	
C[C@H]1CCC[C@@H](CNC(=O)NNC(=O)Cc2cccnc2)C1	103518777	IXTCVDWZQUTYJC-QWHCGFSZSA-N	304.394	1.781	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CC[C@H]2CCCO2)c1O	54144273	XFYDFTFBZVAPGA-SNVBAGLBSA-N	308.334	1.121	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)c2ccc(Cl)cc2)o1	176213379	AXBLNVDYUVKRHZ-UHFFFAOYSA-N	306.705	1.885	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@H]3CCOC3)cc2C1	66897729	KVHGZVJHMAWLGJ-ZJUUUORDSA-N	308.403	1.670	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)c1c[nH]nc1C	110759277	TYMCKACSLBQGNF-UHFFFAOYSA-N	303.278	1.010	50	20	DDGD	
CCCNC(=O)CCC(=O)NNc1cc(F)c(F)c(F)c1	175496673	RKAUCPYAZFYNOS-UHFFFAOYSA-N	303.284	1.853	50	20	DDGD	
CCc1ccc(-c2cc(C(=O)NNC(=O)[C@@H](C)OC)[nH]n2)cc1	178006210	NZNSHZBVLSHTKD-SNVBAGLBSA-N	316.361	1.435	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)Cc2cccs2)c1	25168256	WMDAFKIUWHZHTJ-UHFFFAOYSA-N	303.387	1.818	50	20	DDGD	
COc1ccnc(NNC(=O)c2scnc2C(C)(C)C)n1	176531218	DXLDMUMTVOKGSD-UHFFFAOYSA-N	307.379	1.996	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cccc(C#N)c1)c1cccc(O)c1	112458374	USLKAODPHXZCCU-NSHDSACASA-N	324.340	1.969	50	20	DDGD	
CCOC(=O)NNC(=O)C[C@H]1c2ccccc2CCN1C(C)=O	69903770	INYOGQYRCZDQKG-AWEZNQCLSA-N	319.361	1.300	50	20	DDGD	
CS[C@@H](C)C(=O)NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1	111053527	IYGMCVFORLQNSV-ZETCQYMHSA-N	324.410	1.069	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COc2ccc(F)cc2)n1	25070964	TYCWEGSPYCJRPW-UHFFFAOYSA-N	303.293	1.369	50	20	DDGD	
CC[C@@H]1[C@H](C)CCN1CC(=O)NNC(=O)Cc1nc(C)cs1	185584301	KNOZDRAERKJMDP-ZYHUDNBSSA-N	324.450	1.262	50	20	DDGD	
O=C(NNc1cccnn1)NC1CCN(C2CCCCC2)CC1	176485866	QFKPPBBJZVMZBJ-UHFFFAOYSA-N	318.425	1.900	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNc2nc(-c3ccccc3)no2)c1	76462952	AKTFCARCNNKPEN-UHFFFAOYSA-N	323.312	1.592	50	20	DDGD	
CCCCOCC(=O)NNC(=O)c1cccc(OC(F)F)c1	118223027	YQTFTOBLDMLPIN-UHFFFAOYSA-N	316.304	1.866	50	20	DDGD	
O=C(Cc1n[nH]c2c1CCCC2)NNC(=O)NC1CCCCC1	188754454	HDGZACBQHUNSEP-UHFFFAOYSA-N	319.409	1.494	50	20	DDGD	
CSC[C@@H](C)NC(=O)NNc1ccc(-n2cccn2)nn1	77626860	VUZLNBSFTUWRRT-SECBINFHSA-N	307.383	1.040	50	20	DDGD	
C[C@H](NC(=O)c1ccccc1)C(=O)NNC(=S)NC(C)(C)C	28716410	IEOVSEMVFDWELS-JTQLQIEISA-N	322.434	1.099	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc3c(c2)OCCO3)n1	22234663	CTUNIXUCXSXOOQ-UHFFFAOYSA-N	300.318	1.622	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCOc2ccccc2)c(O)c1	60396671	LIGYFDDDJXCPCF-UHFFFAOYSA-N	314.341	1.931	50	20	DDGD	
CCCN1CC[C@H](CNC(=O)NNc2nc(C)cc(OC)n2)C1	175368508	MVRWXSDTUGPLOR-GFCCVEGCSA-N	322.413	1.152	50	20	DDGD	
N#CCSCC(=O)NNC(=O)Cn1ccc2ccccc21	170899510	SNWILDQJSVAILW-UHFFFAOYSA-N	302.359	1.045	50	20	DDGD	
CC[C@H](C)NC(=O)CCNC(=O)NNc1ccc(Cl)nn1	127063751	SFXDQXURCUCWTG-QMMMGPOBSA-N	314.777	1.061	50	20	DDGD	
COCCOc1cccc(C(=O)NNC(=O)NC2CCCC2)c1	65919080	QMBWYJWZFDTLIF-UHFFFAOYSA-N	321.377	1.598	50	20	DDGD	
COCCCCC(=O)NNC(=O)c1ccc(Cl)cc1OC	122226612	GBZVZAGSOZDLIV-UHFFFAOYSA-N	314.769	1.926	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)nn1	124259423	CECHNARSVSHYHC-BNOWGMLFSA-N	317.393	1.759	50	20	DDGD	
C[C@@H](CCC(=O)NNc1nccn(C)c1=O)c1ccccc1	124018861	GHOFQWXTDOHBPK-LBPRGKRZSA-N	300.362	1.807	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1cccc([N+](=O)[O-])c1	302857839	QZHIBJJMSQFBHL-KWBADKCTSA-N	303.318	1.792	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)C(C2CC2)C2CC2)cc1	72961425	KJJGXMHIILFKQV-UHFFFAOYSA-N	315.417	1.876	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCC2(C1)OCCO2	182632693	JVGONJCHAXWHAH-UKTHLTGXSA-N	302.305	1.708	50	20	DDGD	
Cc1cc(F)ccc1CCNS(=O)(=O)CBr	127548352	KQIGXPMKWPJCEO-UHFFFAOYSA-N	310.188	1.948	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)C(=O)Nc1cccc(F)c1	128256509	GJIYQEOXTAZCSX-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
CCCC(=O)N1CCC[C@@H]1C(=O)NNc1cc(Cl)ccn1	182994841	NPSKYHNXTLEFSX-LLVKDONJSA-N	310.785	1.969	50	20	DDGD	
C[C@H](NC(=O)NN[C@]1(C)CCS(=O)(=O)C1)C1CCCCC1	74502664	INUWXWGMRYGJEC-SMDDNHRTSA-N	317.455	1.336	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)C(=O)NNC(=O)c1ccc(Cl)nc1	131223859	JYTNASQRBWZBLH-SSDOTTSWSA-N	321.768	1.640	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)C1CCOCC1	198122318	POAXGGACCRCNGK-UHFFFAOYSA-N	306.406	1.777	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2)c(O)c1	80387711	MVIKAQBERCTKHL-GFCCVEGCSA-N	314.341	1.929	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)Cc2ccncc2)c1	82977998	RJFHMTVWDYMFCF-UHFFFAOYSA-N	313.357	1.413	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NNC(=O)c2ccc[nH]2)c(C)c1	194727444	ZPUFOAGYJDVXJN-UHFFFAOYSA-N	323.374	1.345	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(-n3ccnn3)cc2)o1	89775330	ZNSJILOVGQYEKM-UHFFFAOYSA-N	311.301	1.244	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)c2ccccc2O)cc1O	89434415	GWRQDRVGOWCLQZ-UHFFFAOYSA-N	300.314	1.410	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNC(=O)Cc1ccc(F)cc1	92214101	CNYXTLKDNRKUKA-UHFFFAOYSA-N	304.325	1.125	50	20	DDGD	
CCCCOCC(=O)NNC(=O)COc1ccccc1OC	265447642	YOHWPUHFIYZVEE-UHFFFAOYSA-N	310.350	1.038	50	20	DDGD	
CCN(CCOC)CC(=O)NNC(=O)c1ccccc1Cl	266610229	CAXHIPMXHPOTJJ-UHFFFAOYSA-N	313.785	1.069	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNC(=O)Cc1ccc(F)cc1	264007578	HZLFAAILNJTGFK-UHFFFAOYSA-N	304.325	1.098	50	20	DDGD	
Cn1cc(C(=O)NNc2cccc3c2CCCC3)c(O)nc1=O	269582015	BPFPPDJQLPKZGC-UHFFFAOYSA-N	314.345	1.122	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CSCc2ccccn2)n1	266908046	IPDOSFWBERSNSG-UHFFFAOYSA-N	319.390	1.565	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(Cl)c(F)c1)c1nncn1C	266970073	OUAXXQNXZGFYOP-SSDOTTSWSA-N	312.736	1.995	50	20	DDGD	
COC(=O)c1ccc(N2CCCC2)c(NC(=O)NNC(C)=O)c1	273269244	ZLRHFFGTUYVERD-UHFFFAOYSA-N	320.349	1.246	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc([N+](=O)[O-])c2cccnc12	271040888	ZQVNAWIEGVXCEO-UHFFFAOYSA-N	314.301	1.704	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2CCCN2C(=O)NC(C)C)n1	273055420	XKIBDQPKCWJAJJ-NSHDSACASA-N	321.381	1.116	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cc(C)n(C)c2C)c1O	272317901	KGEGOGAEYAWFTQ-UHFFFAOYSA-N	317.345	1.431	50	20	DDGD	
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NNc1cc(Cl)ccn1	272325305	MJFZPVVFSHIPFC-BXKDBHETSA-N	309.801	1.844	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCCc2csc(C)n2)n1	279788061	JXOCFEAZHGYAGB-UHFFFAOYSA-N	318.402	1.939	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccccc1Cn1cncn1	273486071	MNXKIJNYHXYYFS-LLVKDONJSA-N	316.365	1.525	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2	272135608	AHUPSAAFUZLPMX-UHFFFAOYSA-N	309.278	1.131	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnn(-c2ccccn2)c1CC	271253625	GDPUCBLPRKWLTE-UHFFFAOYSA-N	316.365	1.136	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNc1nnc(C2CC2)s1	273628911	PWGWWUUWBZWFMH-UHFFFAOYSA-N	313.383	1.383	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H](C)Cn2ccnc2)c1	272647420	JJVAIBMIAJPYPI-LLVKDONJSA-N	317.349	1.385	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C(C)(C)C(C)C)c1	275837134	CCNYPUOVKJDSDK-UHFFFAOYSA-N	307.394	1.937	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)[C@@H]1C[C@@]12CCOC2	364088236	XBRUXNQBSBYRBE-ZUZCIYMTSA-N	322.386	1.058	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H](C(=O)NNC(=O)c2ccncc2)C1(C)C	275582462	ZIQKVRVIHCGZNL-PWSUYJOCSA-N	303.362	1.484	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCN1CCOC(C)(C)C1	276712574	QIIZQXLLIFVSIH-UHFFFAOYSA-N	307.398	1.127	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCO[C@@H](C)C2)cc1	272138304	WSFNCQANWFPLLY-STQMWFEESA-N	306.362	1.336	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@]1(C)CCCOC1	272614887	AJUHFQVAMXDZLI-MRXNPFEDSA-N	322.361	1.038	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCCCS2)cc1	273036497	ZTFQHBMDULXMPT-ZDUSSCGKSA-N	308.403	1.807	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C	276730126	VIMOWDZCICCZDK-STQMWFEESA-N	319.409	1.806	50	20	DDGD	
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC=C(C#N)CC1	270883991	BDZCWZNTZZCOBH-UHFFFAOYSA-N	300.318	1.957	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2ocnc2C2CC2)c1	289110070	MTRKRUXXHAWURB-UHFFFAOYSA-N	315.329	1.700	50	20	DDGD	
C[C@H]1OCC[C@]12CN(S(=O)(=O)CCCCCl)CCO2	373677884	BKXZZUCTHQDPKO-NEPJUHHUSA-N	311.831	1.215	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCC[C@@H]2CCO[C@H](C)C2)n1	280304382	OJKQAYGAMJOTFQ-CHWSQXEVSA-N	320.393	1.539	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2cccc(N(C)C)c2)CCC1	284531058	OEUOPMYYTTWZAU-UHFFFAOYSA-N	305.378	1.330	50	20	DDGD	
CSSCCNC(=O)Cc1ccc(-n2cnnn2)cc1	284134743	PLUNLHVGHDLEHR-UHFFFAOYSA-N	309.420	1.332	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C[C@@H]2CC[C@@H](C)C2)cc1	282655023	HOUMUZBUWQFJSX-CHWSQXEVSA-N	317.389	1.907	50	20	DDGD	
O=C(CN1CCCc2occc2C1)NNC(=O)c1ccccc1	288737750	HDGNLIPCDOPNIH-UHFFFAOYSA-N	313.357	1.489	50	20	DDGD	
COc1cccc(NNC(=O)[C@H](C)CNC(=O)OC(C)(C)C)n1	285875711	RYAGYIJMAXPYLR-SNVBAGLBSA-N	324.381	1.694	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1CCc2cc(C)ccc2O1	280850153	WMILABMYCIZISX-ZDUSSCGKSA-N	305.403	1.370	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1	288128680	AOLYARKUNDMHND-AWEZNQCLSA-N	319.405	1.266	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CCO[C@@H]1c1ccnn1C(C)C	286438876	RMGQACOTJDMJPB-JQWIXIFHSA-N	310.354	1.271	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NNc1cnccn1	294745712	ACAQOCIWXPMTSK-LLVKDONJSA-N	323.397	1.955	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NC[C@H]2CCCSC2)c1	807598430	VQSBIWHTBNKMHL-GFCCVEGCSA-N	318.402	1.645	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1cccc2c1CCC2	804958901	RIXHDQQIQSOGRB-UHFFFAOYSA-N	320.356	1.908	50	20	DDGD	
CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)NNc2ccccn2)C1	808359481	YWCJAAOTQXHDQQ-BFHYXJOUSA-N	317.393	1.355	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)[C@@H]1CC1(F)F	295347090	NVGFBGVJAOBZNN-QMMMGPOBSA-N	319.333	1.035	50	20	DDGD	
Cn1cnc(-c2ccc(C(=O)NNc3cccc(F)n3)cc2)n1	804768339	AGTMSQDFSBSTGO-UHFFFAOYSA-N	312.308	1.773	50	20	DDGD	
COc1cccc(OC)c1CC(=O)NNc1ncccc1F	804218522	ZPUSVUDXRTYISE-UHFFFAOYSA-N	305.309	1.924	50	20	DDGD	
CC(C)[C@@H](C)N(C)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	297988638	WVGUKTVLUNNJQL-LLVKDONJSA-N	322.365	1.332	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCc2snnc2C)cc1	293378452	LFMQEZNFOOFXDA-UHFFFAOYSA-N	319.390	1.553	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1ncn(C)n1	290567218	RJXQKFZOASGTBT-UHFFFAOYSA-N	318.406	1.317	50	20	DDGD	
COc1ccc2c(c1F)CCC2=NNC(=O)c1cnn(C)c1	807973563	RYLIIJNXMGHVGS-UHFFFAOYSA-N	302.309	1.648	50	20	DDGD	
Cc1ccc(C)c(S(=O)(=O)NNC(=O)[C@H]2CCCCO2)c1	296771400	RJQVSZBGUSPSNQ-GFCCVEGCSA-N	312.391	1.182	50	20	DDGD	
CCn1ccnc1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	291411352	GNTWAXBDVPMBSP-JTQLQIEISA-N	320.324	1.271	50	20	DDGD	
Cc1nn(C)c(C)c1CNC(=O)NNc1cccc(Cl)n1	292990569	KDXDRQMSRYTXMP-UHFFFAOYSA-N	308.773	1.912	50	20	DDGD	
CC[C@H]1[C@@H](C(=O)NNc2nnc[nH]2)CCN1C(=O)OC(C)(C)C	298451852	PXSMUODLAZAPDE-UWVGGRQHSA-N	324.385	1.283	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1cnn(-c2ccccc2)c1	299336329	DAYCGFHXMWRHOK-UHFFFAOYSA-N	322.390	1.228	50	20	DDGD	
CC[C@H](C)Oc1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)ccn1	295365765	JQBGVUWNIRNDPX-AAEUAGOBSA-N	321.377	1.589	50	20	DDGD	
O=C(COCc1cccnc1)NNc1cccc([N+](=O)[O-])c1	807119828	ZOUWILNQLVYFLV-UHFFFAOYSA-N	302.290	1.650	50	20	DDGD	
COCc1ccc(CNC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	297707867	XWYAYOSZLJRMHZ-FZMZJTMJSA-N	321.377	1.231	50	20	DDGD	
COC[C@@H](NC(=O)NNc1ccc2c(=O)[nH]ccc2c1)C(C)C	806860015	FECDRJLUVXIGDJ-CQSZACIVSA-N	318.377	1.825	50	20	DDGD	
CC[C@@H](C(=O)NNc1cccc(NC(C)=O)c1)N1CCCC1=O	293973773	RATXKKOSGARQJV-AWEZNQCLSA-N	318.377	1.489	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)O[C@@H](C)c2nncn2C)cc(C#N)n1C	805386412	PLQBPSVMWAWPSQ-CBJCJLNRSA-N	324.344	1.545	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	819110124	UJHFXFCQKNUBKS-LLVKDONJSA-N	319.336	1.126	50	20	DDGD	
C[C@H]1C(=NNC(=O)C(=O)NC2CC2)CCN1Cc1ccccc1	811636961	QOIRBCAZNIEBPE-LBPRGKRZSA-N	314.389	1.032	50	20	DDGD	
Cc1nnc(CC(=O)NNc2ccc([N+](=O)[O-])cc2Cl)o1	813494846	CPIONVWZPNPQDB-UHFFFAOYSA-N	311.685	1.625	50	20	DDGD	
CCNC(=O)CCC(=O)NNc1cc(Cl)nc(Cl)c1	819742569	CMQXHXXJMGZASG-UHFFFAOYSA-N	305.165	1.748	50	20	DDGD	
COc1ccc([C@@H]2C[C@H]2NC(=O)NNc2ncncc2F)cc1	814328308	VMKWCWCNFKRYMI-WCQYABFASA-N	317.324	1.807	50	20	DDGD	
CCc1nocc1C=NNC(=O)CNc1ccc(OC)cc1	814710962	YWWOMTUXHPLRCK-UHFFFAOYSA-N	302.334	1.808	50	20	DDGD	
NS(=O)(=O)c1ccc(NC(=O)NN=C2CCC23CCC3)cc1	814964882	CVXSPNIUDADZQY-UHFFFAOYSA-N	322.390	1.776	50	20	DDGD	
O=C(NCCc1cn[nH]c1)NNC(=O)c1cccc2ncccc12	811932477	VDRYGCJCSSMKEU-UHFFFAOYSA-N	324.344	1.145	50	20	DDGD	
C/C(=C\c1ccccc1Cl)C(=O)NNc1nccn(C)c1=O	810468584	BOODUYKVLFMDMI-MDZDMXLPSA-N	318.764	1.980	50	20	DDGD	
CC(C)C(=O)NNC(=O)C[C@@H](c1ccccc1)N1CCOC1=O	728265043	OMYYQKQLMDXUES-ZDUSSCGKSA-N	319.361	1.373	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NNc1ccc(F)cc1	727060327	UBLVBIRFAYQELK-UHFFFAOYSA-N	312.345	1.977	50	20	DDGD	
N#C/C(=C\c1ccc(O)c(C(=O)O)c1)C(=O)N=c1cc[nH]cc1	490977820	UUONTGNXBMCEAL-YRNVUSSQSA-N	309.281	1.453	50	20	DDGD	
CN(C(=O)/C(C#N)=C/c1ccc(O)cc1)[C@H]1CC(C)(C)OC1=O	490942356	NVSPYDCIKXSVLA-BCNIOPEESA-N	314.341	1.852	50	20	DDGD	
CCn1cc(CC(=O)NNc2cccc(F)c2C(=O)OC)cn1	822731901	QZEJMYWJMNTOJN-UHFFFAOYSA-N	320.324	1.515	50	20	DDGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccn(C)n2)cc1OC	490811566	GIXHQINPTQVDIG-DHZHZOJOSA-N	312.329	1.983	50	20	DDGD	
CCCN(CCC)CCCNC(=O)/C(C#N)=C/c1cnn(C)c1	491159395	IOWPKNZZFNCAGF-LFIBNONCSA-N	317.437	1.955	50	20	DDGD	
O=C(NNC(=O)c1cnc(-c2ccco2)s1)c1ccccn1	728855135	KXHMRCBTBIRLPH-UHFFFAOYSA-N	314.326	1.873	50	20	DDGD	
CN(C)C(=O)NCCN(C)C(=O)/C(C#N)=C\c1ccc(F)cc1	490839605	DTEKWVDKRCIFKD-RAXLEYEMSA-N	318.352	1.462	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1ccccc1O[C@H]1CCOC1	827690555	NUPDQBRHUJTLIV-ZDUSSCGKSA-N	321.377	1.089	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@H](c2ccccc2)C1	827307700	UHQACNYUZWQFNI-QEJZJMRPSA-N	317.389	1.642	50	20	DDGD	
Cc1cc(CC(=O)NN=CC(C)(C)NC(=O)OC(C)(C)C)n[nH]1	495590931	UZIXENINRNKJIK-UHFFFAOYSA-N	323.397	1.666	50	20	DDGD	
CCC(CC)c1cc(CNCc2ccccc2B(O)O)on1	585025214	OLZXFXYHDKDTCL-UHFFFAOYSA-N	302.183	1.548	50	20	DDGD	
CCn1nc(C2CC2)cc1C(=O)NNC(=O)[C@H]1CCCCO1	908516656	FEDKUZZFOPWXPE-CYBMUJFWSA-N	306.366	1.111	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(C)(F)F	495606833	WHASHNFOKYMPRL-UHFFFAOYSA-N	309.313	1.094	50	20	DDGD	
CCCN(CC(=O)NNC(=O)C(C)C)Cc1ccccc1F	827542793	MVXMQJGALKLXHB-UHFFFAOYSA-N	309.385	1.841	50	20	DDGD	
CCCCCN(CCCOC)C(=O)c1ccc(B(O)O)cc1	584971897	HMRFKHKNCDLTME-UHFFFAOYSA-N	307.199	1.035	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C)[C@H]1CCCN(C(=O)OCC)C1	490905773	AQJQZPWBCQIPEK-PDRVLSSUSA-N	323.393	1.804	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(C)c(Br)c1	823865600	VKPHWNDSNOLWRD-UHFFFAOYSA-N	301.184	1.717	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)n[nH]1	824342216	NGLJKOUHCAXPGJ-UHFFFAOYSA-N	312.337	1.470	50	20	DDGD	
Cc1cc(C(=O)NN(C)C[C@H](C)O)cnc1Br	822557545	MCOOYMWKAKLKKI-QMMMGPOBSA-N	302.172	1.110	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](O)c1ccccc1C(F)(F)F	908113929	YSLZXBUVNMLMLV-SECBINFHSA-N	306.240	1.468	50	20	DDGD	
O=C(c1ccccc1CCC(F)(F)F)N1CC[C@H](B(O)O)C1	585064964	UEFFIMZCDMFYPT-NSHDSACASA-N	315.100	1.870	50	20	DDGD	
Cc1cc(C(=O)NCB(O)O)c(C)n1[C@@H](C)c1ccccc1	585061011	NXBGZTOVZUMOOO-LBPRGKRZSA-N	300.167	1.456	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCc2cc(Cl)ccc2C1	829158579	BIUPMSTUUAWVTR-UHFFFAOYSA-N	309.797	1.502	50	20	DDGD	
CCCCO[C@@H]1C[C@H](N[C@H](C)C(=O)NNC(=O)CC)C1(C)C	829677600	DXQONCHKIWBKIC-FRRDWIJNSA-N	313.442	1.506	50	20	DDGD	
O=C(NC1CCCCC1)N1CCN(S(=O)(=O)CCl)CC1	829906076	CIULMKAGUAYDSQ-UHFFFAOYSA-N	323.846	1.172	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1CC(c2ccccc2C)=NO1	905099883	GOZJSPHJNIDSNM-ZDUSSCGKSA-N	318.402	1.169	50	20	DDGD	
O=C(NNC(=O)c1cnn2ccccc12)c1ccc2c(c1)OCO2	732258393	MJYNYKZHEVBUHK-UHFFFAOYSA-N	324.296	1.138	50	20	DDGD	
CO[C@H](C=NNC(=O)COc1ccc(F)cc1)C1CCOCC1	834929523	DNKWZXPWKOWZMW-OAHLLOKOSA-N	324.352	1.748	50	20	DDGD	
CCCN(C)CC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	730103726	HQMRLEKWPSYVMH-LLVKDONJSA-N	323.462	1.976	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1ccn(-c2ccccc2)n1	588615668	AYEKMUOUYVXKPE-UVTDQMKNSA-N	302.359	1.628	50	20	DDGD	
Cn1ccc2c(C(=O)NNC(=O)[C@@H]3CCCCO3)cccc21	833250291	FCGMQAAJEXYFKJ-AWEZNQCLSA-N	301.346	1.508	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@]1(Cl)C[C@H]2CC[C@H]1O2	907092361	FKTFFENLRRXWPR-WZRBSPASSA-N	311.725	1.967	50	20	DDGD	
CN(CC(=O)NNc1cccnn1)c1nc2ccccc2s1	736704125	MXKYRMFTEBOYKC-UHFFFAOYSA-N	314.374	1.666	50	20	DDGD	
COC(=O)c1cc(NC(=O)[C@]2(C)C[C@@H]2Br)cn1C	906916438	ZPVSXGAKJXIVOA-JOYOIKCWSA-N	315.167	1.924	50	20	DDGD	
CS(=O)(=O)c1cccc(C=NNC(=O)NC2CCCC2)c1	834947837	DMBYALVQJDABES-UHFFFAOYSA-N	309.391	1.666	50	20	DDGD	
C[C@]1(CC(=O)NNC(=O)NCC(F)(F)F)CC1(Cl)Cl	831754423	NBQKXQQKTYZDHD-ZETCQYMHSA-N	322.114	1.853	50	20	DDGD	
CCC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCOC1	736301716	ABBGSWNKOXXGIZ-GFCCVEGCSA-N	314.349	1.399	50	20	DDGD	
CC[C@H](C)[C@@H](C=NNC(=O)c1ccc(-n2cnnn2)cc1)OC	834930930	OXDMDHXUDPHGNU-SMDDNHRTSA-N	316.365	1.439	50	20	DDGD	
COC(=O)c1cc(OC(=O)C[C@@H]2CCOC2)ccc1[N+](=O)[O-]	739568049	PTMBYGPBRBMRGL-VIFPVBQESA-N	309.274	1.713	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)c2ccccc2)cc1O	916642168	QOQGMSZCKXYQDU-UHFFFAOYSA-N	315.329	1.545	50	20	DDGD	
CC(C)(C)n1cc(NC(=O)NNC(=O)[C@H]2CCCCO2)cn1	836434998	ODMWJCFKPHFUII-LLVKDONJSA-N	309.370	1.360	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1	838497138	UICGDOGMNUOCNC-OUCADQQQSA-N	317.393	1.808	50	20	DDGD	
CC(C)(O)C(C)(C)CNC(=O)NNc1cncc(Cl)n1	838718740	CIHQSUSFBFAQLG-UHFFFAOYSA-N	301.778	1.553	50	20	DDGD	
CC[C@@H](O)[C@H](C)C(=O)NNC(=O)c1nc2ccccc2s1	913818046	NGWZEXABHXDJQX-WCBMZHEXSA-N	307.375	1.464	50	20	DDGD	
O=C(CCSCc1ccccn1)NNC(=O)c1ccccn1	916733641	AUIWUEUWWRYSLX-UHFFFAOYSA-N	316.386	1.561	50	20	DDGD	
CCOc1ccc(N(C)CC(=O)NNC(=O)C(C)(C)C)cc1	744404875	ZJNKZZXUKMJBII-UHFFFAOYSA-N	307.394	1.715	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)Cn1cnc2ccccc21	916273049	QCHIUXOPQJFJML-UHFFFAOYSA-N	310.361	1.537	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1ccccc1N1CCOCC1	842552540	BZQMRYHYHQSTDG-UKRRQHHQSA-N	317.389	1.398	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC12CCOCC2)c1cc2c(s1)CCC2	748837326	GBQXJPVABHMRTH-LLVKDONJSA-N	320.414	1.815	50	20	DDGD	
C=C[C@H](C)ONC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	845638382	GQUNASCLAWTEHO-AAEUAGOBSA-N	321.377	1.907	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)c2cc([N+](=O)[O-])ccc2O)cn1	741769909	AAACCGQLAWSZQT-UHFFFAOYSA-N	317.305	1.842	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)SC1CCC2(CC1)OCCO2	849940021	GSWQNIJDZVFFLR-SNVBAGLBSA-N	316.423	1.351	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)[C@@H](C)Oc2ccc(F)cc2)[C@H]1OC	841612132	ZBHARLBVJRYPFC-VCTAVGKDSA-N	324.352	1.889	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccoc2C)c1	744580663	LNLSQLPCDSXLMH-UHFFFAOYSA-N	316.313	1.514	50	20	DDGD	
Cn1c(=NNC(=O)COC[C@@H]2CCCO2)sc2ccccc21	746387108	DQSKRFGMQANFOP-NSHDSACASA-N	321.402	1.367	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(C#N)c2)CS1	840416913	GISGUBXSZSCXTD-CABZTGNLSA-N	304.375	1.396	50	20	DDGD	
O=C(Cc1csc(N2CCOCC2)n1)NN=Cc1ccco1	917565280	ZETDIPZSNJHOPP-UHFFFAOYSA-N	320.374	1.266	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1nsc2ccccc12	911502597	KDKHQZRJZUUEGU-DTWKUNHWSA-N	305.359	1.482	50	20	DDGD	
CCC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H]1CC1(C)C	841621154	ULSPCKHVZOFENT-UWVGGRQHSA-N	301.412	1.285	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1[C@@H]2CCCO[C@H]2C1(C)C	743430942	NIXUYYXPISHECI-VNHYZAJKSA-N	323.437	1.262	50	20	DDGD	
Cc1ncc2n1C[C@H](C(=O)NNc1cccc([N+](=O)[O-])c1)CC2	845855672	KFQNLHYHFRWIRR-LLVKDONJSA-N	315.333	1.805	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1	843644248	KIRSOEFNMZOVSP-ZDCRXTMVSA-N	322.327	1.928	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2cncc(C)c2)c1	742473646	KMXAGJJYPMNQEX-UHFFFAOYSA-N	315.329	1.482	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cnc(OCC2CC2)c(Cl)c1	910152929	WZKROAWKYYDYAJ-VIFPVBQESA-N	313.785	1.481	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@H](CO)C1CCCCC1	916631288	NPCHFMOPCHXIET-CQSZACIVSA-N	305.378	1.572	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	916094964	GUHDXUWCDDCLBN-ZARQTOOBSA-N	306.406	1.775	50	20	DDGD	
CCOCCNC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	743548039	YXPLFVRDEOWMKS-UHFFFAOYSA-N	309.370	1.125	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(F)c(Cl)cc1F	843659646	IHORWHVFPKKZAM-RQJHMYQMSA-N	318.707	1.804	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)CNc2ccccc2OC)[C@H]1OC	841605196	XMGWHVUVTFQXSY-GDBMZVCRSA-N	321.377	1.403	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)o1	847444616	IVBWVTJOWQSDED-STQMWFEESA-N	320.393	1.549	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1noc(-c2cccs2)n1	745182914	HSGOJYYRDJTHHV-UHFFFAOYSA-N	323.378	1.675	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)C1CCN(C(C)C)CC1	746014855	MJIQFHREFZSOME-UHFFFAOYSA-N	303.406	1.876	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1nnc(C2CCOCC2)s1	840726897	WDROVSOJWMWAAV-NTMALXAHSA-N	308.363	1.815	50	20	DDGD	
COc1ccc(NCC(=O)NN=C2C[C@@H](C)n3ncnc32)cc1	841603762	NFDYWWLFUCJPLY-SNVBAGLBSA-N	314.349	1.184	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccc(S(N)(=O)=O)s2)cc1	748117933	SKBCUMXQPNNYBP-UHFFFAOYSA-N	322.371	1.024	50	20	DDGD	
Cc1nccn1CC(=O)Nc1cccc(NC(=O)NN(C)C)c1	843871749	RRATWXPAKAJPAG-UHFFFAOYSA-N	316.365	1.428	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNc1ccc(S(C)(=O)=O)cc1	841409190	PCJWNGPGJYYVNS-CYBMUJFWSA-N	314.407	1.594	50	20	DDGD	
CN(C)c1nccc(NNC(=O)Cc2ccc3c(c2)CCO3)n1	740112719	OXBGOYYRRRPDAN-UHFFFAOYSA-N	313.361	1.163	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCc1cccc(F)c1F	843648967	SPYZLXZUOSRXFG-GXSJLCMTSA-N	312.316	1.470	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)c2cc3c(s2)CCC3)CCCO1	755231251	SDEBHCQWFWSBRE-HNNXBMFYSA-N	323.418	1.750	50	20	DDGD	
CC(=O)N1CC[C@@](C)(C(=O)NNc2ccc([N+](=O)[O-])cc2F)C1	855622758	KOMNCVQBWHJOPA-CQSZACIVSA-N	324.312	1.436	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2ccn(C(C)C)n2)o1	752380631	QVVZKKKINAZFPA-UHFFFAOYSA-N	305.338	1.510	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NNC(=O)c1cc(C)cs1	858418517	MVGPPOVPKIKYKE-YPMHNXCESA-N	323.418	1.982	50	20	DDGD	
Cc1ccoc1CC(=O)NNC(=O)c1cccc(N(C)C)c1	854263525	JHEJQFNURFRBDG-UHFFFAOYSA-N	301.346	1.658	50	20	DDGD	
CCOCCNC(=S)NNC(=O)Nc1cc(F)cc(F)c1	751008440	WIGPLLDTXAGZRC-UHFFFAOYSA-N	318.349	1.502	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@@](C)(O)c2ccco2)c1	858705993	LENPGCYDTUXIIM-CQSZACIVSA-N	323.374	1.501	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc2c(C)cccn2c1	924487710	MXSHWXSWRBPMJC-NSHDSACASA-N	317.345	1.350	50	20	DDGD	
O=C(CO)NNC(=O)Nc1cccc(Sc2ccccc2)c1	756474790	DRIRWMCBEWLEIX-UHFFFAOYSA-N	317.370	1.983	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cc2cc(C)no2)c1C	855624645	SBDXDIYZHVJTGR-UHFFFAOYSA-N	303.318	1.764	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)c1c(C)nc2ccccn12	755064437	QEVUKXNLINYLGZ-JTQLQIEISA-N	304.350	1.076	50	20	DDGD	
COCCCn1cc(C(=O)NNc2nc(C)cc(C)n2)cn1	858263365	XZCCXAILUIWHJK-UHFFFAOYSA-N	304.354	1.083	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@H]1C1CCCCC1)c1cn[nH]c1	858704991	ZMMQWGZIHYZXPA-ZDUSSCGKSA-N	305.382	1.809	50	20	DDGD	
O=C(NC[C@@H]1COCO1)NNC(=O)c1cccc2ccccc12	923852849	DYGWZNWUCLMOBG-GFCCVEGCSA-N	315.329	1.157	50	20	DDGD	
CCC(=O)c1cc(C(=O)NNC(=O)NCC2CC2)ccc1F	756947746	NLZGIWACZNFEBK-UHFFFAOYSA-N	307.325	1.772	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@]1(C)CCOC1	754347634	WYEXGJVADQDNTM-MEBBXXQBSA-N	310.325	1.167	50	20	DDGD	
COCCCNC(=O)NN=C/C=C\c1ccccc1[N+](=O)[O-]	920832964	AGSBIXAPNUEQDA-PLBVDPBDSA-N	306.322	1.930	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2cccnc21)OCC(F)(F)F	856019261	SKIPUDXWTULPBY-QMMMGPOBSA-N	303.240	1.431	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1nc(C)c(C)s1	854284751	XBIIHYKZIROQJH-UHFFFAOYSA-N	316.452	1.248	50	20	DDGD	
Cc1cc2c(cc1NC(=O)NNC(=O)c1cccn1C)OCO2	757979768	WRZODMDBONMNRZ-UHFFFAOYSA-N	316.317	1.529	50	20	DDGD	
CC(C[C@H]1CCOC1)=NNC(=O)COc1ccccc1C#N	751521066	IPNXPEPBNHWASE-CYBMUJFWSA-N	301.346	1.856	50	20	DDGD	
CC(C)c1ccccc1OCC(=O)NNC(=O)Cc1cc[nH]n1	755268779	HZVOTQAMNKPMQW-UHFFFAOYSA-N	316.361	1.302	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H](C)c1ccc[nH]1	760315666	PPODCJUVNAZUTG-JTQLQIEISA-N	302.334	1.729	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2sc(Cl)nc2Cl)N1	863147386	DUHUVVQCHVHLCW-BYPYZUCNSA-N	307.162	1.179	50	20	DDGD	
Cc1cccc(CO[C@@H](C)C(=O)NNC(=O)c2cc(C)[nH]n2)c1	867068857	RIHQNAUXJRZNAQ-LBPRGKRZSA-N	316.361	1.393	50	20	DDGD	
COC[C@@H]1CCCN1NC(=O)/C(C#N)=C/c1ccc(O)cc1	862594039	UAPQJPWQQHQTDN-SSUFTNFISA-N	301.346	1.441	50	20	DDGD	
Cc1cc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)c(C)o1	767896830	KIXSEDFSDITUSA-UHFFFAOYSA-N	310.317	1.636	50	20	DDGD	
C[C@H](C(=O)NNc1cccnc1Cl)N1CCSCC1	764560097	CFVKXOBFKJWPSB-SECBINFHSA-N	300.815	1.615	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C1CCc2ccccc2C1	763194279	FCEVPLJWSIRJTD-UHFFFAOYSA-N	322.368	1.473	50	20	DDGD	
CCC(CC)N1C[C@@H](C(=O)NN[C@H](C)C(F)(F)F)CC1=O	862309773	OTMHOGMIDDGYCN-BDAKNGLRSA-N	309.332	1.595	50	20	DDGD	
CNC(=O)Cc1ccc(NC(=O)NNC(=O)OC(C)(C)C)cc1	765136679	REXXEJUNJCRVCM-UHFFFAOYSA-N	322.365	1.536	50	20	DDGD	
Cc1cn2ccnc(C(=O)NNc3ncccc3[N+](=O)[O-])c2n1	762891139	UHWQAIPIRBZCAA-UHFFFAOYSA-N	313.277	1.098	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@@H](CO)CC(F)F	760682107	CGBXUHZFHGNXFJ-HTRCEHHLSA-N	302.159	1.928	50	20	DDGD	
CN(C)[C@H](CC(=O)NNC(=O)c1ccccn1)c1ccccc1	763877373	YQJDZDWZYXZACF-OAHLLOKOSA-N	312.373	1.536	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)Cc2ccccc2C)n[nH]1	860480358	KMVIWOKPEFRSKZ-NSHDSACASA-N	300.362	1.666	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCc1nc(C2CC2)n[nH]1	867330047	TVQBIKPRMGCZDY-UHFFFAOYSA-N	306.819	1.367	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)ns1	767441853	QILFISCCNKGQPP-VIFPVBQESA-N	323.349	1.819	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CCS(=O)CC2)cc1C	761803924	HITDLPBAKCKJKL-UHFFFAOYSA-N	321.402	1.257	50	20	DDGD	
C[C@H](C[S@@](C)=O)NC(=O)NNc1cccc(F)c1Cl	875485948	SWSRQTMAOKOXIT-QOLSBQFWSA-N	307.778	1.872	50	20	DDGD	
CSc1ccccc1NC(=O)NNC(=O)C1CCOCC1	877940248	NROHVZZWKXNERF-UHFFFAOYSA-N	309.391	1.988	50	20	DDGD	
CCC(C)(C)CC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	772163252	CLPVDOSKUKXIKB-LLVKDONJSA-N	300.399	1.938	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cc(C)n(CC(C)C)c1C	779823880	UHFRVWRBPLBCMW-UHFFFAOYSA-N	308.382	1.567	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)c2ccc(Cl)cc2O)c(C)n1	777521354	BEYBMEPRMDPFJC-UHFFFAOYSA-N	320.736	1.527	50	20	DDGD	
CC(C)c1nccn1CC(=O)NNC(=O)c1ccccc1F	779770515	FFJNNSNGDAOXQY-UHFFFAOYSA-N	304.325	1.607	50	20	DDGD	
COc1ccnc(NNC(=O)C(=O)Nc2cccc(C)c2F)n1	773724678	UMUSDZMFRAQBDN-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
O=C(Cc1ccnc(O)c1Br)NN=c1cc[nH]cc1	772539133	WIXSSHGZSYYJIK-UHFFFAOYSA-N	323.150	1.052	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CCn1cccc1	772188106	YZAVWGFKMBGVHV-GFCCVEGCSA-N	309.366	1.003	50	20	DDGD	
COCC(=O)NNC(=O)N[C@H](C1CCCCC1)C(F)(F)F	775994620	LSACRSAPALEEBZ-SNVBAGLBSA-N	311.304	1.474	50	20	DDGD	
O[C@@]1(c2cn(/C(Cl)=C\CBr)nn2)CCOC1	881311064	XIRSIXTYMJXSHF-MDONLEKNSA-N	308.563	1.318	50	20	DDGD	
C#CCOc1cccc(OS(=O)(=O)CBr)c1	782436115	YTCPJUHFDSWUOC-UHFFFAOYSA-N	305.149	1.760	50	20	DDGD	
CC(C)(C)[C@H](NC(N)=O)C(=O)NNc1cc(F)ccc1F	885141880	OSIYJLSPHXKXMW-SNVBAGLBSA-N	300.309	1.491	50	20	DDGD	
CC1(C)CC[C@H](C(=O)NNC(=O)Cc2cn3ccccc3n2)C1	781693149	JJOHGPFCVFZQSL-LBPRGKRZSA-N	314.389	1.851	50	20	DDGD	
Cc1nn(C)c(C)c1[C@H](C)C(=O)NNc1ncncc1Cl	781824381	DKXPWOFKDIYVJG-ZETCQYMHSA-N	308.773	1.727	50	20	DDGD	
Cc1cccnc1C=NNC(=O)c1cccc(S(C)(=O)=O)c1	781590082	UQMHCPSJRWYXHP-UHFFFAOYSA-N	317.370	1.557	50	20	DDGD	
C[C@@H]1CN(/C(=C\C#N)c2cccc([N+](=O)[O-])c2)C[C@@H](CO)O1	787319000	IFMJGOVMTYIOOE-TWTMFLOISA-N	303.318	1.541	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C1(c2ccccc2)CC(=O)C1	899997119	ICCWUYUZJKPKIJ-UHFFFAOYSA-N	319.430	1.581	50	20	DDGD	
CC1(C)CC[C@H](C(=O)NNC(=O)COc2ccccc2O)C1	781631611	BDAIQGARDFJRLJ-NSHDSACASA-N	306.362	1.745	50	20	DDGD	
CN(NC(=O)C(=O)Nc1cnn(CC2CC2)c1)c1ccccc1	783434653	TUYLYFZXALLUQV-UHFFFAOYSA-N	313.361	1.399	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cccc(N2CCCNC2=O)c1	782579659	OUOWEJLOPZJBGU-UHFFFAOYSA-N	319.365	1.415	50	20	DDGD	
C=CCC(C)(C)C(=O)OCC(=O)NNC(=O)c1ccccc1	796461522	KKRNCUOLMHYWAW-UHFFFAOYSA-N	304.346	1.593	50	20	DDGD	
Cn1ccnc(NNC(=O)Cc2cccc(C(F)F)c2)c1=O	790857111	OHXWZOZPXWRANL-UHFFFAOYSA-N	308.288	1.404	50	20	DDGD	
C=CCC1(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)CCC1	791559871	BSWZVSYWJYXCLN-GFCCVEGCSA-N	310.394	1.858	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1	791220250	COYBBPFLQBMPPL-CYBMUJFWSA-N	310.357	1.886	50	20	DDGD	
COC(=O)C[C@H]1CCC(=NNC(=O)Cn2nc(C)cc2C)[C@@H]1C	794480015	KKKAOWFCZZEMTR-CHWSQXEVSA-N	320.393	1.581	50	20	DDGD	
COc1ccc(NCC(=O)NN=C(C)c2cnoc2C)cc1	799467429	PLJOJLGUHXZNDD-UHFFFAOYSA-N	302.334	1.944	50	20	DDGD	
CSc1ccc([C@H](C)NCC(=O)NNC(=O)C2CC2)cc1	799182446	GKNAIILMCPXYBO-JTQLQIEISA-N	307.419	1.617	50	20	DDGD	
Cc1oc(C#N)cc1C(=O)NNC(=S)Nc1ccccn1	798128667	WLWVRXFRBYCVNO-UHFFFAOYSA-N	301.331	1.486	50	20	DDGD	
CC(COC(C)C)=NNC(=O)COc1ccccc1[N+](=O)[O-]	799870226	YHVQKHPRTKRCSD-UHFFFAOYSA-N	309.322	1.891	50	20	DDGD	
COc1ccc(NNC(=O)c2cc3nccnc3cc2F)nc1	792450489	HAKVXFRBWVCVSS-UHFFFAOYSA-N	313.292	1.929	50	20	DDGD	
O=C(NCC(F)(F)F)NN=Cc1cc(C(F)(F)F)n[nH]1	799478026	PQUDFXJBXYWGAK-UHFFFAOYSA-N	303.166	1.624	50	20	DDGD	
Cn1cc2c(n1)CCC[C@@H]2C(=O)NN=c1cc[nH]c2ccccc12	799101012	SHLGKOHCQUUFSG-LBPRGKRZSA-N	321.384	1.953	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)c2cc3c(s2)CCC3)CC1	799520252	QERUWIRRZHZYNZ-UHFFFAOYSA-N	308.403	1.815	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)NCc2ccco2)ccc1F	795588530	VRXCPDUVORFOQP-UHFFFAOYSA-N	302.265	1.435	50	20	DDGD	
CCC1=C(C(=O)NNC(=O)Cn2nc(C)cc2C)CCCO1	790120803	MIIDHARISQGKAY-UHFFFAOYSA-N	306.366	1.122	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2CCCC[C@@H]2N(C)C)n1	1318505564	YKPGYPYFKHNUHH-STQMWFEESA-N	306.414	1.592	50	20	DDGD	
CCCCOCCNC(=O)NNC(=O)c1ccc(OC)cc1	1318019300	HDUBJXULWVOTTA-UHFFFAOYSA-N	309.366	1.456	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(C(C)(C)C)nn1)[C@@H]1CCOC1	1321312694	KGHKTSVOKJETOS-WDEREUQCSA-N	307.398	1.825	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCC(=O)N1CCCC1	1322614825	PENKFZROUYFIKW-UHFFFAOYSA-N	304.394	1.806	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ncc(Cc2ccccc2)o1	1328661942	SNLHKMFBKNNCAM-UHFFFAOYSA-N	302.334	1.572	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2c3ccccc3nn2C)n1	1321350562	SRNBZDWHBVKYPL-UHFFFAOYSA-N	312.333	1.437	50	20	DDGD	
C[C@H](C(=O)NNc1ncnc2[nH]cnc12)c1ccc(F)cc1F	1322146367	ZQHCPHGAVQIOIU-ZETCQYMHSA-N	318.287	1.878	50	20	DDGD	
COCCCCCNC(=O)NNC(=O)c1ccc(OC)cc1	1324782206	PTIKVVDGQKEKHP-UHFFFAOYSA-N	309.366	1.456	50	20	DDGD	
Cn1cc(C(=O)NNc2ncncc2Cl)c(C(F)(F)F)n1	1320538887	UIWHXBJDEFFYEN-UHFFFAOYSA-N	320.662	1.639	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@H](CC(C)(C)C)c1ccccc1	1322254360	RXSYFZCVFBGHIJ-GFCCVEGCSA-N	321.377	1.667	50	20	DDGD	
CCn1cc(C(=O)C(=O)NNc2cnc3ccccc3n2)cn1	1256042960	SBRZSQAQCFMCFX-UHFFFAOYSA-N	310.317	1.172	50	20	DDGD	
O=C(CN(CC(F)F)C1CC1)NNC(=O)c1cccs1	777583550	QQCJDXSTCYKHKB-UHFFFAOYSA-N	303.334	1.239	50	20	DDGD	
CCCN(Cc1ccccc1)C(=O)NNC(=O)c1cn[nH]c1	1334931342	RLLNZFBZFVGNKI-UHFFFAOYSA-N	301.350	1.676	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C2CCNCC2)ccc1N(C)C	1331418470	IPOCUADLROTBMF-UHFFFAOYSA-N	319.409	1.213	50	20	DDGD	
CC[C@H](C)[C@H](C)NC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1347939598	BXORWWXVWBIUJE-QISWUMQESA-N	319.243	1.827	50	20	DDGD	
C[C@]1(COC(=O)c2ccoc2CC(N)=O)C[C@H]1Br	1344049433	PMIXYTOQACFTMQ-BXKDBHETSA-N	316.151	1.638	50	20	DDGD	
COc1c[nH]c(C(=O)NC[C@]2(C)C[C@H]2Br)cc1=O	1347123190	PDYZFOYEWNNOGW-PWSUYJOCSA-N	315.167	1.287	50	20	DDGD	
CCOCCOC[C@H](O)CNC(=O)c1cccc(CCl)c1	1353653951	JAERKGOBYJZSAJ-CQSZACIVSA-N	315.797	1.569	50	20	DDGD	
O=C(NNC(=O)N1CCn2nc(C3CC3)cc2C1)C1CCCC1	1357403363	BCJFKIVYFDSBNZ-UHFFFAOYSA-N	317.393	1.507	50	20	DDGD	
N#CC1=CCN(C(=O)c2cnn(Cc3ccccc3)c2N)CC1	1362599313	HTCZCUAEUGEDEL-UHFFFAOYSA-N	307.357	1.809	50	20	DDGD	
COC1([C@@H](C(=O)O)N(C)NC(=O)OCc2ccccc2)CCC1	1606709361	YGEBOQSGRNFYEJ-CYBMUJFWSA-N	322.361	1.782	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2cc(C(=O)O)no2)c1	1600543936	BBKPVTDXUMUGEK-UHFFFAOYSA-N	303.274	1.210	50	20	DDGD	
Nc1c(Cl)cccc1C(=O)NNc1ccc(C(=O)O)cn1	1601211111	PLZDYPOMHKAVCO-UHFFFAOYSA-N	306.709	1.772	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNc2ncccc2C(=O)O)nc1	1602772524	DDCRROGRALTAJA-UHFFFAOYSA-N	315.289	1.526	50	20	DDGD	
O=C(O)C[C@@H]1CC[C@H](NC(=O)NNC(=O)c2ccccc2F)C1	1608772898	NMNHYLGWXBBTLG-ZJUUUORDSA-N	323.324	1.413	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2cccc(C(=O)O)c2)n1	1600538797	PPVUYCGTHXMXPB-UHFFFAOYSA-N	314.301	1.170	50	20	DDGD	
Cn1c(C(=O)O)ccc1C(=O)NNc1c(F)cc(F)cc1F	1608084247	ZQTGPJKTDICOAG-UHFFFAOYSA-N	313.235	1.898	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@@H]1CC=C(C(=O)O)C1	1600585015	HGBAVQPZNBCYCF-LLVKDONJSA-N	318.333	1.504	50	20	DDGD	
N#C[C@@]1(C(=O)NNc2ccc(C(=O)O)c(F)c2)CCCOC1	1608172023	LNJHNBKMCFRVSY-AWEZNQCLSA-N	307.281	1.287	50	20	DDGD	
Cn1cc(NC(=O)NNc2ncc(Cl)cn2)cc1C(=O)O	1608119460	KJCHLERXAQDJBJ-UHFFFAOYSA-N	310.701	1.315	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2CCO[C@H]2C2CC2)cccc1C(=O)O	1600056174	WQLRBGYBDGDZGY-OCCSQVGLSA-N	304.346	1.951	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cnn3c2CCC3)cc1F	1602384263	HYATVHARQGVPDO-UHFFFAOYSA-N	304.281	1.424	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C(=O)NCC(Cl)Cl	1552569237	VNKYLKFMTMCSNY-WCBMZHEXSA-N	306.193	1.808	50	20	DDGD	
C[C@@H](NC1CC1)C(=O)NNc1nnc(-c2ccccn2)s1	1576238803	JAPKUUSZTGZZGB-MRVPVSSYSA-N	304.379	1.184	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cc2ccc(N)cn2)c1C	1578878185	QYZYHSTWLOGUGA-UHFFFAOYSA-N	314.345	1.445	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1C[C@H](N)C1(C)C	1576294268	FYXUMMJLBLEGFH-CWSCBRNRSA-N	323.368	1.114	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CC(F)(F)CN)c1C	1579768438	YBFYIWUTTABUKE-UHFFFAOYSA-N	316.377	1.605	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CCC[C@@H](N)C1	1576295649	RHSBPKQAQSHNGW-SDDRHHMPSA-N	323.368	1.258	50	20	DDGD	
CO[C@@H]1CN[C@](C)(C(=O)NNc2ccc(Cl)cc2F)C1	1578949184	SHMNYHFWKUAZLH-ZANVPECISA-N	301.749	1.689	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCCO1)C2	1845167720	QYVAZLRGCCYOBK-RYUDHWBXSA-N	314.813	1.386	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@]12CCCNC2)c1ccc(Cl)cc1O	1580733275	QQTQVZHPTCZRJI-NHYWBVRUSA-N	323.780	1.196	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cnc(C)c(C(=O)O)c1	1588440269	PTYFJOKYKNWHAE-UHFFFAOYSA-N	304.306	1.044	50	20	DDGD	
O=C(c1ccco1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843362748	GVAUWBVSWLQQPY-JTQLQIEISA-N	300.717	1.631	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1cn(C2CC2)nn1	1599376631	PSOBYVVHFBBKRJ-UHFFFAOYSA-N	317.305	1.077	50	20	DDGD	
O=C(O)CC1(C(=O)NNCC(F)(F)C(F)(F)F)CCC1	1594976193	DVDVRBDUKRJATN-UHFFFAOYSA-N	304.215	1.450	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1cccc(CC(=O)O)c1	1776129269	BHOMVOAUICLLHF-ZROIWOOFSA-N	302.330	1.373	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)c2cccc(C(=O)O)c2)[nH]1	1776095443	YNJFDOKCDSPMSU-UHFFFAOYSA-N	315.285	1.263	50	20	DDGD	
N#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(Cl)Cl)C2	1795859542	QPVSSRFOGDJXEI-ILWJIGKKSA-N	318.204	1.732	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)COc1ccc(F)cc1	16069555	DYZKLJFKLWMPIR-UHFFFAOYSA-N	318.304	1.674	50	20	DDGD	
CCc1c(C(=O)NNC(=O)OC)cnn1Cc1ccccc1	158921522	BGUBOHJUCZVPKT-UHFFFAOYSA-N	302.334	1.495	50	20	DDGD	
O=C(CCc1nnc[nH]1)NNc1nc(C(F)(F)F)cs1	152843441	CIFXUVMAHDOOBA-UHFFFAOYSA-N	306.273	1.356	50	20	DDGD	
CCOCCN(CC)CC(=O)NNC(=O)Cc1ccccc1C	157592230	DKNATSICWDMEIV-UHFFFAOYSA-N	321.421	1.043	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNc1ccc(OC)cn1	159076768	SYJOXECFABVKCF-LBPRGKRZSA-N	306.366	1.324	50	20	DDGD	
O=S(=O)(N[C@@H](CCO)C1CC1)c1ccc(CCl)cc1	914176038	VFQNINRYIYARAD-ZDUSSCGKSA-N	303.811	1.865	50	20	DDGD	
Cc1nn(C)c(C)c1CCC(=O)NNC(=O)c1ccccc1	10052497	WNWDLAZMLHUFAX-UHFFFAOYSA-N	300.362	1.431	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Cc1c(C)noc1C	55352974	WIKYMMLWZIUZRE-UHFFFAOYSA-N	317.345	1.233	50	20	DDGD	
N#CC1(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CCCC1	53723224	BNHFDQDEFQGMFF-UHFFFAOYSA-N	315.329	1.303	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc2ccccc2cc1O	109860224	PHZQBHCPYCDITB-UHFFFAOYSA-N	310.313	1.652	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)CNC(=O)c1cccc(F)c1	103199163	FSRLEKSVFYCOBJ-UHFFFAOYSA-N	309.341	1.139	50	20	DDGD	
C[C@H]1CCCC[C@H]1N(C)CC(=O)NNC(=O)c1ccccc1	119981851	DAZUGGHMUPNQNY-DZGCQCFKSA-N	303.406	1.958	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)CC[C@H]1CCOC1	177656382	YRMIUTMHLYTGKX-LBPRGKRZSA-N	316.361	1.220	50	20	DDGD	
Cc1nnc(S[C@H](C)C(=O)NNC(=O)CC(C)C)s1	110103427	WWCRCDWPPWSVIM-SSDOTTSWSA-N	302.425	1.521	50	20	DDGD	
CCNC(=O)NNC(=O)c1sc(-c2ccc(C)o2)nc1C	65189790	RCZMTXQGFBMTAB-UHFFFAOYSA-N	308.363	1.984	50	20	DDGD	
C[C@@H](OCC1CC1)C(=O)NNC(=O)CCCc1ccccc1	68051486	GNYHYDUGWJMCGZ-CYBMUJFWSA-N	304.390	1.972	50	20	DDGD	
CSc1ccc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)o1	112230617	BTCLBFNDSBHHEZ-SECBINFHSA-N	318.420	1.107	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCO[C@H](c2ccccc2)C1	111198595	YUAZVNUHQJBBTO-OCCSQVGLSA-N	305.378	1.006	50	20	DDGD	
CN(C)C1(C(=O)NNC(=O)CCCc2ccccc2)CCC1	119794617	MKOUKUJTQFBCDS-UHFFFAOYSA-N	303.406	1.641	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C1C(C)(C)C1(C)C	173614824	MLFBPZWTVSDURE-UHFFFAOYSA-N	320.389	1.904	50	20	DDGD	
N#C/C(=C\c1cnn(CCCl)c1)C(=O)NC[C@H]1CCCO1	171537072	BXELHCGMMDZLAI-XEVNVYFWSA-N	308.769	1.324	50	20	DDGD	
C[C@@H](CCOc1ccccc1)C(=O)NNC(=O)c1ccncc1	174192180	LQBDPYDGUISVFM-ZDUSSCGKSA-N	313.357	1.948	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)COc1cc(C)cc(C)c1	1356583354	DNAVCTLFZQISBS-HUUCEWRRSA-N	320.389	1.645	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	121967761	ASNKUPYHHJVSOP-UHFFFAOYSA-N	319.314	1.090	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cn(-c2ccccc2Cl)nn1	122382355	HLDXWRIYVVAKFE-UHFFFAOYSA-N	321.768	1.728	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)c2cccs2)CC(C)(C)O1	68477053	QCNYNKJZHZFLFS-SNVBAGLBSA-N	311.407	1.008	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2c(C)cccc2F)nn1	123687106	YUODEIZXHBQNFL-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
O=C(CCSc1ccccn1)NNC(=O)NCc1ccco1	127717747	MBCKVJZJDMWJKK-UHFFFAOYSA-N	320.374	1.687	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1nc2c(s1)COCC2	185623906	HJYYTXOQDGURRV-UHFFFAOYSA-N	307.335	1.010	50	20	DDGD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)Cc1ccc(F)cc1	70780126	FVRIDBHLYOOKQG-FZMZJTMJSA-N	324.352	1.100	50	20	DDGD	
CCCc1csc(NC(=O)NNC(=O)Cc2ccncc2)n1	184023436	BALLREMWOFAHLU-UHFFFAOYSA-N	319.390	1.886	50	20	DDGD	
Cc1cccc(C)c1OCC(=O)NNC(=O)c1cccn1C	72511404	SMMFTQIGTKRDDF-UHFFFAOYSA-N	301.346	1.482	50	20	DDGD	
Cc1ccc(-c2nc(C(=O)NNC(=O)N(C)C)cs2)n1C	121098018	WHBQPHKXGPFVLJ-UHFFFAOYSA-N	307.379	1.373	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)N1C[C@H]2CCC[C@@H]2C1	121337824	WJJHUDJMLOPDIM-HUUCEWRRSA-N	317.389	1.676	50	20	DDGD	
CSCc1ccc(NC(=O)NNC(=O)c2cnn(C)c2)cc1	184811269	NRALCUFUZVHYEL-UHFFFAOYSA-N	319.390	1.750	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)Nc2ccccn2)nc2ccccc21	48347891	YRAKVAGLPLCARL-UHFFFAOYSA-N	324.344	1.364	50	20	DDGD	
CCn1cc(NC(=O)C(=O)NNc2ccc(Cl)cc2)cn1	131161165	BZHSHHNGBWQHBE-UHFFFAOYSA-N	307.741	1.638	50	20	DDGD	
COc1ccc(CCCC(=O)NNc2nccnc2OC)cc1	132041812	LNDQFPNKLHYLRN-UHFFFAOYSA-N	316.361	1.960	50	20	DDGD	
CCOc1ccc(OCCCC(=O)NNC(=O)NC2CC2)cc1	138674838	VLCITFGLNMAXCL-UHFFFAOYSA-N	321.377	1.737	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCC1(CO)CCCC1	194871642	KBOSYVFZDOKFLY-ZROIWOOFSA-N	300.358	1.968	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)C#Cc2ccccc2)cc1	81107372	GHLASPAWFVZQSW-UHFFFAOYSA-N	319.320	1.136	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C[C@@H]1CCCOC1	195166351	VSKLAERMQNBHQY-ZDUSSCGKSA-N	320.389	1.592	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)C1=CCCCCC1	131634348	FILIJFCNYNFZLP-UHFFFAOYSA-N	312.373	1.915	50	20	DDGD	
Cc1ccc(C)c(NC(=O)C(=O)NNc2nc3ccccn3n2)c1	190608357	RMGJFYHCQWUSCZ-UHFFFAOYSA-N	324.344	1.428	50	20	DDGD	
O=C(CCc1ccncn1)NNC(=O)c1c[nH]c2ccccc12	192306340	XACBGZYHCGUMPD-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
C[C@@H](CCO)CNS(=O)(=O)c1ccc(CCCl)cc1	97445296	PZFARAHQLVYXTL-NSHDSACASA-N	305.827	1.765	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCc2cccnc2)cc(C#N)n1C	255073976	IVBBZPGHBQQYSN-UUASQNMZSA-N	305.341	1.824	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1NC(=O)NNc1nc(O)c2cnn(C)c2n1	269301384	UOCCJKQVGIBRKH-SCZZXKLOSA-N	319.369	1.274	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)[C@H]1CSCCS1	268255999	XYSZXCVHDUYEIA-SNVBAGLBSA-N	322.415	1.627	50	20	DDGD	
CC(C)N1C[C@@H](NC(=O)NNc2cccc([N+](=O)[O-])c2)CC1=O	267774885	XSEHYQDHHYZQPW-NSHDSACASA-N	321.337	1.230	50	20	DDGD	
CCCC(=O)N1CSC[C@@H]1C(=O)NNc1cc(C)nc(C)n1	265535848	LZSRNOVWCODBLQ-LLVKDONJSA-N	323.422	1.238	50	20	DDGD	
COCCn1cc(/C=C(\C#N)C(=O)NC2CCCCC2)cn1	266340525	VMKQHUYBFPKGQM-NTEUORMPSA-N	302.378	1.885	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)COCc2ccccc2)C[C@@H]1C	267803385	XKMUOCSYKOQCCC-STQMWFEESA-N	305.378	1.532	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(F)cc(Cl)c1	268118747	KNPYMEXTHUAFNX-UHFFFAOYSA-N	303.721	1.460	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H]1CCCOCC1	271877477	HSWKMVZEHTURAD-NSHDSACASA-N	307.350	1.208	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCCN1C[C@H](C)O[C@H](C)C1	276712466	QGHYXIAAWBQISS-OKILXGFUSA-N	321.425	1.515	50	20	DDGD	
CC(C)(C(=O)NNc1cccc(F)c1[N+](=O)[O-])S(C)(=O)=O	279792755	OPBXJFJSQHTARP-UHFFFAOYSA-N	319.314	1.000	50	20	DDGD	
C[C@@H]1C[C@H](N2CCOCC2)CN1CCI	368508451	SEFUMLDFWKPPJF-MNOVXSKESA-N	324.206	1.216	50	20	DDGD	
CC#CCNC(=O)NNC(=O)c1ccc(OCCC)c(OC)c1	270550080	BFTNQQHZPKJNRL-UHFFFAOYSA-N	319.361	1.451	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)[C@H]1CCCCS1	272811110	ALGGXZRIANGVDI-SNVBAGLBSA-N	305.363	1.860	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@H]1COc2c(Cl)cccc21	365946065	LBJFYYLYNANALZ-NSHDSACASA-N	320.736	1.746	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)CBr)CCO[C@H]1C1CC1	368770365	OJUJIMCNVNLANR-UWVGGRQHSA-N	312.229	1.463	50	20	DDGD	
CC[C@H]1C[C@@H](CC(=O)NNC(=O)Cc2cccnc2)CCO1	273206187	OQXFQHLTXRJVEP-JSGCOSHPSA-N	305.378	1.367	50	20	DDGD	
CCN(CC(=O)NNC(=O)CSc1ccccc1O)C1CC1	271194006	WJUUWMBLQVFZDR-UHFFFAOYSA-N	323.418	1.116	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NO[C@@H]1CCCCO1)c1ccccc1	274855077	BMYUWSBJAJSYAO-ZIAGYGMSSA-N	321.377	1.969	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H]2C[C@@]23CCOC3)c1	375809922	FUKBROHFTUILPW-CXAGYDPISA-N	318.373	1.256	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@H](O)C(C)C	284982580	AECJBMNPFPFCFX-LLVKDONJSA-N	300.742	1.127	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	285158812	YBUXSMZNLQAYDM-MEBBXXQBSA-N	307.325	1.680	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cc([C@@H]2CCCOC2)nn1C	280077509	ICCZPPFXURZBHA-LLVKDONJSA-N	323.397	1.513	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H](C)CN1CCOCC1	281254270	ONGCXLVDPGKXNK-CYBMUJFWSA-N	320.393	1.116	50	20	DDGD	
CCc1nc(CNC(=O)NNc2cccc([N+](=O)[O-])c2)n[nH]1	297570763	LHQAGMQOULASMT-UHFFFAOYSA-N	305.298	1.102	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NNc1cccc(F)n1	804768145	PMHCLIBECCAOAP-OTYXRUKQSA-N	303.293	1.892	50	20	DDGD	
CS(=O)(=O)CCC(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	296285368	YRGCBJJHEZTBJI-UHFFFAOYSA-N	321.742	1.126	50	20	DDGD	
CC(C)O[C@@H]1C[C@@H](NC(=O)NNc2ncncc2F)C1(C)C	293209047	ZXOCCZMRAVVMNY-GHMZBOCLSA-N	311.361	1.834	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1ccc(CNC(N)=O)cc1	808248816	SMOFYXSZHAEMPI-UHFFFAOYSA-N	304.177	1.731	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(F)cc2nccnc12	295685066	YMYIFALKNDVSKL-LBPRGKRZSA-N	318.308	1.099	50	20	DDGD	
Cc1[nH]c(C=NNC(=O)CNc2ccccc2)cc1C(=O)O	800805105	PMWDFTDOCZDBSA-UHFFFAOYSA-N	300.318	1.584	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccnc3c2nnn3C)cc1	800800788	QOIPKBBOGQALTH-UHFFFAOYSA-N	324.344	1.001	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Cc1ccc([Si](C)(C)C)cc1	809986407	HBFQWSDOMURCLX-UHFFFAOYSA-N	306.482	1.968	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)CN(C)C(C)=O)cc1C	291325623	VDEDGGJLBILNBT-UHFFFAOYSA-N	307.350	1.093	50	20	DDGD	
CCCCN(C)C[C@H](C)NC(=O)NNC(=O)c1ccccc1O	292135290	OFNNOPFVXKRSJY-LBPRGKRZSA-N	322.409	1.457	50	20	DDGD	
O=C(CCC(=O)c1ccccc1)NNC(=O)[C@@H]1CCCCO1	295387768	LCWMSDSZAWXGOL-AWEZNQCLSA-N	304.346	1.366	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)c2ccc3c(c2)OCCO3)nn1	807961311	LDSOVJVCLWIVIT-UHFFFAOYSA-N	315.333	1.394	50	20	DDGD	
O=C(NNc1cccc(F)n1)C(=O)Nc1ccc(Cl)nc1	807391726	HLPZCZYWOITRED-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
Cn1cc(C(=O)NNc2cccc(F)n2)c(-c2cccnc2)n1	804767404	LHAWIMGWYXZEML-UHFFFAOYSA-N	312.308	1.773	50	20	DDGD	
C[C@@H](Cn1ccc2ccccc21)C(=O)NNC(=O)C(C)(C)O	803159570	NYQBDKMWVKNZPN-NSHDSACASA-N	303.362	1.196	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@@H]1CCc2ccccc2C1	291912014	QVKKPTCISZOWRH-KGLIPLIRSA-N	303.362	1.053	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cc2ccccc2c(=O)n1C	803185748	CXYHQRUMSOTAMI-UHFFFAOYSA-N	308.341	1.999	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1C(=O)NNc1nc(O)c2cnn(C)c2n1	294866102	BMCMBQDTKIALOV-BDAKNGLRSA-N	304.354	1.338	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@]12CCc1ccccc12)[C@@H]1CCCCO1	295269839	BTDOGNHXYAXTFF-MPGHIAIKSA-N	314.385	1.607	50	20	DDGD	
Cc1cc(C)cc([C@H](O)CNC(=O)NNC(=O)C2CCCC2)c1	801055419	MBNYGONFHGBLGG-OAHLLOKOSA-N	319.405	1.857	50	20	DDGD	
CCc1ccnc(C(=O)NNc2ccc(-n3ccnc3)nn2)c1	804953730	BWERURRRGLMMFS-UHFFFAOYSA-N	309.333	1.377	50	20	DDGD	
C[C@H](C#N)C(=O)NNC(=O)Nc1ccc(Br)cc1	801998034	KUVNJKPDDHBWAN-SSDOTTSWSA-N	311.139	1.761	50	20	DDGD	
COc1ccc2c(c1OC)OCC2=NNC(=O)NCC1CC1	814818320	NAHOWYYZTJNUTG-UHFFFAOYSA-N	305.334	1.510	50	20	DDGD	
COCCOc1ccccc1NC(=O)NNc1ncncc1F	814623182	ZXDMVBCSYMMOAN-UHFFFAOYSA-N	321.312	1.790	50	20	DDGD	
Cc1nc2c(cc1C(=O)NNc1ncncc1F)c(C)nn2C	817083965	ZVGUWVABQQLQOO-UHFFFAOYSA-N	315.312	1.271	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cc(F)ccc1OC	812226222	JSGIXPDPSJKBRF-UHFFFAOYSA-N	309.341	1.589	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)Cc1ccc(Cl)cc1)n1cccn1	819013689	YBUSJRSDEWCGAA-LLVKDONJSA-N	320.780	1.878	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)Nc1ccc2c(c1)OCO2	814992269	HUOOZYXEYQPMCG-UHFFFAOYSA-N	315.333	1.867	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1ccc(CN(C)C)cc1	814865715	XILOHBAKYINZGL-CQSZACIVSA-N	321.421	1.640	50	20	DDGD	
COC[C@]1(C(=O)NNc2ccccc2C(F)(F)F)CCNC1	817916501	GKHUJYLILVOWOI-ZDUSSCGKSA-N	317.311	1.775	50	20	DDGD	
Cc1nsc(NC2CC2)c1C(=O)NNC(=O)NC1CCCC1	814648725	WXWDYKBQXSIRNA-UHFFFAOYSA-N	323.422	1.912	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)Nc1ccc(N(C)C)cc1	811642939	LRUWUFFDXNUXIE-ZDUSSCGKSA-N	317.393	1.919	50	20	DDGD	
C[C@]1(c2ccccc2)C[C@H]1NC(=O)NNc1ncncc1F	814305438	BGXNLUCJRQSOKF-IUODEOHRSA-N	301.325	1.972	50	20	DDGD	
O=C(NCC[C@]1(O)C[C@H]2CC[C@H]1C2)NNC(=O)C1CCCC1	813789302	OSCDEAVJPCVAEI-RBOXIYTFSA-N	309.410	1.448	50	20	DDGD	
CC(Cc1ccc(F)cc1)=NNC(=O)[C@H](C)CN1CCOCC1	814762556	DEZSOLIRNXIWHM-CYBMUJFWSA-N	321.396	1.829	50	20	DDGD	
Cn1nncc1NNC(=O)CCCOCCc1ccccc1	816769744	UNZIKJTYSKSMLZ-UHFFFAOYSA-N	303.366	1.298	50	20	DDGD	
O=C(COc1cccnc1)NNc1nc(-c2ccccc2)no1	728079396	HZSHRXRVVJWTSS-UHFFFAOYSA-N	311.301	1.654	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C	495307773	QPNVOIFUOCAAQT-UHFFFAOYSA-N	317.323	1.151	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CCC[C@H](C2CC2)C1	827199586	DQKUPPFLKHYEIO-DEQVHRJGSA-N	309.410	1.711	50	20	DDGD	
O=C(CSC[C@H]1CCCCO1)NNC(=O)NCC1CC1	727373865	QCBSXJRVUPSYIF-LLVKDONJSA-N	301.412	1.029	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)C1[C@@H]2CCC[C@@H]12	494969873	HNUREYRNBKYNNW-NXEZZACHSA-N	311.382	1.095	50	20	DDGD	
CC(=O)c1cccc(OCC(=O)NNC(=S)NC(C)(C)C)c1	726136657	MKGYKQBLCWTSAF-UHFFFAOYSA-N	323.418	1.562	50	20	DDGD	
Cc1oc(C(C)(C)C)cc1C(=O)NNC(=O)c1ccnnc1	823149083	YSCAMLFOWCDICF-UHFFFAOYSA-N	302.334	1.750	50	20	DDGD	
CCN(CCO)NC(=O)COc1ccc(Cl)c(Cl)c1	823847094	RBHUQSSACBLFCE-UHFFFAOYSA-N	307.177	1.718	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCCNC(=O)C2)cc1	726780415	CMBIFCIRXXLDGF-GXDHUFHOSA-N	313.357	1.341	50	20	DDGD	
N#Cc1cccc(OCC(=O)NNC(=O)CNc2ccccc2)c1	729513807	QPQVBNDQCLNASM-UHFFFAOYSA-N	324.340	1.197	50	20	DDGD	
CC(C)(C)OC(=O)C1(C(=O)NNc2ncccn2)CC=CC1	820935034	MSQZKPAJWFBEAQ-UHFFFAOYSA-N	304.350	1.598	50	20	DDGD	
Cc1ncsc1/C=C\C(=O)NNC(=S)N[C@@H](C)C1CC1	588520736	ZYMGLWADYVLTMU-SLGIHZDVSA-N	310.448	1.759	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNC(=O)COc1ccc(F)cc1	820629484	DGXGZIBWUFUUHB-LBPRGKRZSA-N	307.325	1.337	50	20	DDGD	
CCCN(CC)C(=O)c1ccc(C(=O)NN(C)[C@H](C)CO)cc1	823959907	RYJCFKVSPUCBGI-CYBMUJFWSA-N	321.421	1.516	50	20	DDGD	
CN(C)C(=O)[C@@H]1CCCN1C(=O)/C(C#N)=C/c1ccc(O)cc1	490907876	IPSFUDVFVBJFGF-VOMSXAGXSA-N	313.357	1.378	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)cc1F)c1nc(C(C)(C)C)no1	585038055	QVZOKYWGTQWMJH-VIFPVBQESA-N	321.161	1.037	50	20	DDGD	
CCOc1ccccc1OCCCC(=O)N1CC[C@H](B(O)O)C1	585074559	NISSXFJZCNDKEX-ZDUSSCGKSA-N	321.182	1.320	50	20	DDGD	
N#C/C(=C\c1ccc(=O)[nH]c1)C(=O)N(CC(F)(F)F)C1CC1	901474714	VAXCCYVBUDMNEG-BJMVGYQFSA-N	311.263	1.835	50	20	DDGD	
C[C@@H](SCC(=O)NN(C)[C@H](C)CO)c1nc2ccccc2[nH]1	823988899	YEGLEPPWMSVRSM-GHMZBOCLSA-N	322.434	1.701	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cccc2c1OCC2	901155536	OBOFNTHRVUKSLN-ZDUSSCGKSA-N	317.389	1.040	50	20	DDGD	
O=C(CNC(=O)N1CCCC1)NNc1cccc2cnccc12	901168616	SXVQDBCEJSQOTC-UHFFFAOYSA-N	313.361	1.483	50	20	DDGD	
Cc1c(C(=O)NN(C)[C@@H](C)CO)cnn1Cc1ccccc1	823970653	JAWKAPKLUFVJBA-LBPRGKRZSA-N	302.378	1.197	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cc(C(=O)O)ccc1O	737085807	AVNIQEAYGVVMEC-UHFFFAOYSA-N	307.350	1.272	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](CC)C(=O)NC)cc1	491008169	HNHOWYYTMMWGMX-NRMKIYEFSA-N	315.373	1.633	50	20	DDGD	
COc1ccc(-c2nnc(N3CC[C@H](B(O)O)C3)s2)cc1	585079304	XONPRBXQRLUCRE-JTQLQIEISA-N	305.168	1.267	50	20	DDGD	
CCC[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)c1ccccn1	735512726	KCRGSVJWIGNVST-CYBMUJFWSA-N	316.365	1.301	50	20	DDGD	
COC(=O)COc1ccc(C(=O)NNc2ccccc2)cc1	732265910	MFISZCLBVIMKIJ-UHFFFAOYSA-N	300.314	1.995	50	20	DDGD	
CC[C@H](Cc1ccccc1)N(C)C(=O)c1cccc(B(O)O)c1	584952110	MLXKNCLQJAELRZ-QGZVFWFLSA-N	311.190	1.460	50	20	DDGD	
Cc1cc(C(=O)NNc2cnccn2)ccc1N1CCNC1=O	734245333	VBAFWYNNACSICA-UHFFFAOYSA-N	312.333	1.072	50	20	DDGD	
C[C@@H](CSCC(=O)NNC(=O)c1ccc(F)cc1)C(=O)O	736614256	WBYCKTMISABOLZ-QMMMGPOBSA-N	314.338	1.041	50	20	DDGD	
Cc1nc2n(n1)C[C@H](NC(=O)[C@]1(C)C[C@@H]1Br)CC2	906522659	KHIBKBJHYWKVEC-VDDIYKPWSA-N	313.199	1.191	50	20	DDGD	
Cc1noc([C@@H](C)N(C)C(=O)/C(C#N)=C\c2cnn(C)c2)n1	491050080	ONZKALQPWBWABJ-UKWOQQOSSA-N	300.322	1.238	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1cccc2cccnc12)N(C)C	836262872	JBFXQBMVDVXPDB-NSHDSACASA-N	315.377	1.129	50	20	DDGD	
O=C(NCCC1CC(F)(F)C1)NNC(=O)[C@@H]1CCCCO1	836677653	UZUUNWYGHUDKQG-JTQLQIEISA-N	305.325	1.321	50	20	DDGD	
Cn1c(C(C)(C)NS(=O)(=O)CCl)nc2ccccc21	831130705	UWJWOXMFWDTNSB-UHFFFAOYSA-N	301.799	1.924	50	20	DDGD	
CC(C)CCNC(=O)[C@H](C)OC(=O)/C(C#N)=C/c1cnn(C)c1	837968553	DWOGHAKEIAGXFA-FUEWVNAISA-N	318.377	1.421	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)COCC2CCCC2)c1O	839566760	HTIJFMJWODHLHA-UHFFFAOYSA-N	322.361	1.369	50	20	DDGD	
CCOC[C@H]1CCCCN1CC(=O)NNC(=O)c1ccccc1	839184205	QWQXXQCSDHPLFP-OAHLLOKOSA-N	319.405	1.339	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H]2[C@@H]3Cc4ccccc4[C@@H]23)c(F)c1	585031135	ROADSRRVZIUKMG-LZLYRXPVSA-N	311.165	1.181	50	20	DDGD	
CCNC(=O)N1CC[C@H](NC(=O)[C@]2(C)C[C@@H]2Br)C1	907000506	MUBDXXBNKQWBLE-HOTUBEGUSA-N	318.215	1.080	50	20	DDGD	
O=C1NC(=O)C2(CCC(C(=O)NNc3ccc(F)cc3)CC2)N1	731472947	FRDBMMVWEALREQ-UHFFFAOYSA-N	320.324	1.037	50	20	DDGD	
CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccc(B(O)O)cc2)C1	584955194	SFXOXXYWSWXMKJ-UONOGXRCSA-N	307.224	1.113	50	20	DDGD	
CO[C@H](CNCc1cccc(B(O)O)c1)c1ccccc1Cl	585028944	SUCKAFGHBKERDL-MRXNPFEDSA-N	319.597	1.497	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)OC(C)(C)C)C(F)(F)F	733663073	SMGFOMKECMVWDC-ZCFIWIBFSA-N	301.265	1.303	50	20	DDGD	
Cc1cc(C#N)cc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)c1	835226711	DAFUJRLQHBZESG-UHFFFAOYSA-N	316.361	1.389	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)c1ccc2nc(O)[nH]c2c1	730289497	ZXBKTGNORWZHEQ-UHFFFAOYSA-N	319.324	1.996	50	20	DDGD	
CCCNC(=O)NN=C[C@@H](C)c1ccc(S(C)(=O)=O)cc1	834949122	ZJDGYMSDRPAVQR-LLVKDONJSA-N	311.407	1.889	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)c1	913823739	PVXZCNBOABZHDP-IACUBPJLSA-N	313.382	1.211	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)[C@H]1CCCCO1)c1ccncc1	836340412	MROKSIWYPSFKFC-DGCLKSJQSA-N	306.366	1.085	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H](C)C[C@@H](C)N)c1F	831223713	HJFPAEKVNFZKFT-RKDXNWHRSA-N	312.345	1.364	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H](C)c2ccco2)cn1	743823372	LNCYMOLVDZONHT-VIFPVBQESA-N	320.374	1.805	50	20	DDGD	
O=C(C[C@H]1CC(=O)N1)NNc1ccc(OC(F)(F)F)cc1	830792226	TXYBDFBEMFAQPT-MRVPVSSYSA-N	303.240	1.307	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cccc(OCc2cccnc2)c1	910169985	HWUYKIWTYIZIFD-CYBMUJFWSA-N	315.373	1.618	50	20	DDGD	
Cc1cc(C(=O)NN(C)C[C@@H](C)O)cc(C(=O)OC(C)(C)C)c1	910150899	WHQHOBHXSYRHBE-GFCCVEGCSA-N	322.405	1.908	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(Cl)ncc1Cl	843655725	KXDOJVNXBIJCGY-NKWVEPMBSA-N	318.160	1.574	50	20	DDGD	
COCc1ccc(S(=O)(=O)NCCCSC#N)cc1	916985844	UOSKNQKKLIQPRY-UHFFFAOYSA-N	300.405	1.716	50	20	DDGD	
CCO[C@H]1C[C@H](N(C)CC(=O)NNC(=O)C(C)(C)C)C1(C)C	744405213	MWKBURIEGYNIQP-RYUDHWBXSA-N	313.442	1.315	50	20	DDGD	
CC(C)CC(=O)NCCC(=O)NNc1cnnc2ccccc12	743409929	DSOKHUMROBPUMC-UHFFFAOYSA-N	315.377	1.625	50	20	DDGD	
O=C(Cn1nnc2c1CCCC2)NNc1ccc(F)cc1F	847601993	OEZZTGALAJSYPW-UHFFFAOYSA-N	307.304	1.578	50	20	DDGD	
O=C(CN1Cc2ccccc2C(F)(F)C1)NNC(=O)C1CC1	749451467	WUQGEBNMEKRTLI-UHFFFAOYSA-N	309.316	1.151	50	20	DDGD	
CO[C@H](CS(=O)(=O)NNC(=O)OC(C)(C)C)C1CCCC1	849304408	FGBBAJLBUJBOGJ-LLVKDONJSA-N	322.427	1.551	50	20	DDGD	
CNC(=O)NN=C(C)c1ccc(OC)c(Cn2cccn2)c1	749859476	VPPGBZATBVRCIZ-UHFFFAOYSA-N	301.350	1.593	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)O)[nH]1)c1ccc(O)c(Cl)c1	749813680	ACJOKNLOJSIXAS-UHFFFAOYSA-N	307.693	1.836	50	20	DDGD	
C[C@H](C(=O)NNc1c(F)cccc1Cl)[C@@H](C)S(C)(=O)=O	841422526	OQJMNWAHAJRJFF-JGVFFNPUSA-N	322.789	1.991	50	20	DDGD	
CN1CCC[C@H](NC(=O)NNc2cc(F)c(F)cc2F)C1=O	748663592	BPHQPXSJRBXBLA-JTQLQIEISA-N	316.283	1.351	50	20	DDGD	
COc1cccc([C@H](C)CC(=O)NNC(=O)c2ncccn2)c1	841350618	ONGKOCUMAKUCHP-LLVKDONJSA-N	314.345	1.440	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)c2ccc(C#N)cc2)o1	747103551	QNRFFMNRZVVQGN-UHFFFAOYSA-N	312.329	1.646	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(C(=O)N(C)C)cc1F	841768308	CLAOMLCMBVIYBP-SECBINFHSA-N	324.356	1.726	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc2c(c1)CC(C)(C)O2	843910018	PEOQCPBAFVAVSR-UHFFFAOYSA-N	314.345	1.956	50	20	DDGD	
COC1([C@@H](C)NC(=O)NNC(=O)Cc2ccccc2F)CCC1	840454525	RAKZGKCAJLCOCJ-LLVKDONJSA-N	323.368	1.656	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCCC1=NNC(=O)NC1CCCC1	741459650	FXKKMYSPFOYHRJ-GFCCVEGCSA-N	301.412	1.571	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C[C@@H](OC)[C@@H]1CCOC1	841606730	KTISMOKXALQLAS-IUODEOHRSA-N	322.361	1.228	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1ccccn1	741659500	IOHVXFVVCNYRGJ-MNOVXSKESA-N	317.295	1.925	50	20	DDGD	
O=C(NCCC[C@@H]1CCCN1)NNC(=O)c1ccccc1F	842007185	WHMWTSAMGCKZQM-NSHDSACASA-N	308.357	1.302	50	20	DDGD	
COC[C@](C)(O)C(=O)NNc1ccccc1Br	748065969	JXLNSUXLBVLTRC-NSHDSACASA-N	303.156	1.290	50	20	DDGD	
COCCOC[C@H](C)NC(=O)NNc1cc(F)c(F)cc1F	745864217	MEMCHWJPVRRVEP-QMMMGPOBSA-N	321.299	1.782	50	20	DDGD	
O=C(CCc1ccccc1)NN=C1C(=O)Nc2cc(O)ccc21	749744659	FYQOUOLUGVEDAE-UHFFFAOYSA-N	309.325	1.797	50	20	DDGD	
CCn1cncc1C=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1	841614587	MYEOYVFKEJVTLY-RDBSUJKOSA-N	321.425	1.098	50	20	DDGD	
Cc1nn(-c2cccc(F)c2)cc1C(=O)NNC(=O)NC(C)C	840294936	SCQMPPPIPSHMCW-UHFFFAOYSA-N	319.340	1.672	50	20	DDGD	
O=C(NN=C1CCC[C@@H]2C[C@H]12)c1csc(N2CCOCC2)n1	841612058	DSPYVCNKIFJUMW-MNOVXSKESA-N	320.418	1.886	50	20	DDGD	
CCOC(=O)/C=C/c1ccc(NC(=O)NNC(=O)COC)cc1	755845714	FIKPWTABJBIMRF-RMKNXTFCSA-N	321.333	1.062	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NNC(=O)Cc1ccc(F)cc1	854238002	MJMQEGXJEMLYQN-CHWSQXEVSA-N	316.336	1.053	50	20	DDGD	
Cc1[nH]nc(C(=O)NC[C@]2(C)C[C@@H]2Br)c1[N+](=O)[O-]	857401801	MRLNRJXWSWBWDB-WKEGUHRASA-N	317.143	1.530	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1cncc(F)c1	759109367	OFMBMJRWVZOUIM-UHFFFAOYSA-N	319.292	1.069	50	20	DDGD	
Cc1cccc([C@@H]2CCCN2C(=O)NNC(=O)c2cn[nH]c2)c1	858704839	WZJWUJPXORYRRC-AWEZNQCLSA-N	313.361	1.910	50	20	DDGD	
CCCN1C(=O)CCc2cc(NC(=O)NNC(=O)CC)ccc21	757890087	PHKARAZLOSGAPP-UHFFFAOYSA-N	318.377	1.939	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)c1ccc2nc[nH]c2n1	755518243	UTWLRWMMZYGEDP-UHFFFAOYSA-N	311.330	1.720	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNC(=O)c1cccc(F)n1	856423716	ZAFZMNHNBLAUID-UHFFFAOYSA-N	320.324	1.337	50	20	DDGD	
C[C@@H]1C(=O)N(C)CCN1C(=O)NC[C@]1(C)C[C@H]1Br	856903807	UWEYELDEGJCSPQ-LNLATYFQSA-N	318.215	1.032	50	20	DDGD	
C[C@]1(C(=O)NNc2ccccc2S(N)(=O)=O)CC=CCC1	857192480	CQPTWQOMSBAYIK-AWEZNQCLSA-N	309.391	1.524	50	20	DDGD	
NC(=O)c1csc(C=NNC(=O)CNc2ccccc2)c1	755880386	RXAFLOGFDCBFFX-UHFFFAOYSA-N	302.359	1.409	50	20	DDGD	
C[C@H](NC(=O)NNc1cccnn1)c1ccc([S@](C)=O)cc1	756722202	IDXLPGKLFMHICV-MGUXCZDKSA-N	319.390	1.601	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cnn(-c2ccccc2F)c1C	757740361	KVYXLCZZBITSOG-UHFFFAOYSA-N	305.313	1.883	50	20	DDGD	
O=C(NNS(=O)(=O)c1cnc2ccsc2c1)c1ccc[nH]1	753067303	GNFRUTRKWAGNBX-UHFFFAOYSA-N	322.371	1.248	50	20	DDGD	
C[C@@H](CC=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1	755620239	FGIXRVQKCSFNAN-JSGCOSHPSA-N	308.403	1.717	50	20	DDGD	
CCn1cnnc1CNC(=O)NNc1ccc([N+](=O)[O-])cc1F	853403499	YRGFZZSJDCAYBV-UHFFFAOYSA-N	323.288	1.172	50	20	DDGD	
O=C(NCCC1Cc2ccccc2C1)NNC(=O)c1cn[nH]c1	858322151	SZBMZBGEPIZEOH-UHFFFAOYSA-N	313.361	1.159	50	20	DDGD	
COc1cc(CCC(=O)NNc2ccc(F)cc2OC)on1	857193126	QVAHQFFUWOJROK-UHFFFAOYSA-N	309.297	1.907	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H](C(=O)NNC(=O)c2cccc(F)n2)C1(C)C	856426644	CUSFGHIARZLNNJ-NXEZZACHSA-N	321.352	1.623	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1Cl)[C@H]1CCS(=O)(=O)C1	752809483	DZPNKAQZDVXRIQ-ZETCQYMHSA-N	323.201	1.871	50	20	DDGD	
CC(C)[C@H](CCO)NC(=O)NC[C@@]1(C)C[C@@H]1Br	856956636	SIJLFBWHECWKFJ-JBLDHEPKSA-N	307.232	1.866	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)CC1(CS(C)(=O)=O)CC1	855366392	DPPKTQJAGSHNGE-UHFFFAOYSA-N	314.382	1.792	50	20	DDGD	
O=C(NN=C1CCOc2ccccc21)C(=O)Nc1ccccn1	758382640	YNIFDUYPJUPCRF-UHFFFAOYSA-N	310.313	1.323	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@]2(C)CO)C[C@H]1Br	856955652	QIPUZSPTKKLURA-YUSALJHKSA-N	305.216	1.716	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)/C=C(\C)c1ccco1	854387545	BEKRBFBJIYLEBM-ZHACJKMWSA-N	310.350	1.620	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1cccc(F)c1F	853389515	LVEULLZMALWWAY-RISCZKNCSA-N	323.343	1.668	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@H](O)c1ccncc1	750494755	DHUJEHWVVXCKCY-ZDUSSCGKSA-N	322.796	1.597	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1	855564035	MMWMVKLKMHKLBQ-WEHUKYGOSA-N	309.366	1.556	50	20	DDGD	
Cn1nncc1NNC(=O)[C@@]1(C(=O)OC(C)(C)C)CC=CCC1	857269742	GKJWJSXYJSJGNE-OAHLLOKOSA-N	321.381	1.326	50	20	DDGD	
O=C(NNC(=O)c1cnn(-c2ccccc2)c1)Nc1cccnn1	757660292	BCTVAFRBUDOYPU-UHFFFAOYSA-N	323.316	1.129	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=C[C@@H]1C[C@H]1c1ccccc1	755753860	NTCUNYGCHXZOMR-AAEUAGOBSA-N	312.329	1.336	50	20	DDGD	
O=C(Cc1ccc(Cl)cn1)NNC(=S)NCC1CCC1	855089875	KNCHNRXZHBVOEE-UHFFFAOYSA-N	312.826	1.573	50	20	DDGD	
CNC(=S)N(C)NC(=O)COc1ccc(Cl)c(F)c1	854921855	PZGICPBBBGEMMN-UHFFFAOYSA-N	305.762	1.325	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)c1cccc(Cl)c1)C1CC1	852555432	UQAPPOAAPXKZOG-ZDUSSCGKSA-N	309.797	1.879	50	20	DDGD	
CCOC(=O)N1CSC[C@H]1C(=O)NCC(Cl)Cl	935967979	MFJMHFVQILSXLS-LURJTMIESA-N	301.195	1.438	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CN2C[C@H]3CCC[C@H]2C3)c1	934377342	FTVSNKZSADHPCN-ZFWWWQNUSA-N	312.373	1.194	50	20	DDGD	
COc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)c2ncccn2)cc1	854951765	BZIKHHPBKUOLSM-QWHCGFSZSA-N	312.329	1.050	50	20	DDGD	
Cn1nnc2c(C(=O)NC[C@]3(C)C[C@H]3Br)ccnc21	857388163	QFBLCTKGOMEEQT-PELKAZGASA-N	324.182	1.267	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)c1cc(C)cs1)c1ccco1	858705354	ALSDRVAQLFSPLG-SNVBAGLBSA-N	323.374	1.981	50	20	DDGD	
C[C@@]1(CNC(=O)CCN2CCCC2=O)C[C@@H]1Br	857404858	ZYSRFRIQVPOCCY-CABZTGNLSA-N	303.200	1.289	50	20	DDGD	
O=CNc1ccc(C(=O)NNCC(F)(F)C(F)(F)F)cc1	863095112	HHJCYUJPPRTKDY-UHFFFAOYSA-N	311.210	1.687	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@](C)(C2CC2)C(F)(F)F)cn1	933578927	KDFCQEKMKCNKDU-LLVKDONJSA-N	319.287	1.095	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(OC(F)F)cc1F	935291523	RWQBTDCYSISYGU-UHFFFAOYSA-N	305.256	1.733	50	20	DDGD	
C/C(=C/C1CCC(C)CC1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1	869386074	WMPVIQJSCOARPZ-SVGLQDGKSA-N	307.394	1.185	50	20	DDGD	
CC(=NNC(=O)CS(C)(=O)=O)c1cc(Cl)ccc1Cl	863188961	UAKMQOXXLWMYBV-UHFFFAOYSA-N	323.201	1.878	50	20	DDGD	
Cc1ccc(F)c(OCC(=O)NNc2ccnc(N(C)C)n2)c1	768144162	BIANYTCDNHNMCS-UHFFFAOYSA-N	319.340	1.512	50	20	DDGD	
O=C(OCC1(CO)COC1)[C@@]12CC[C@@H](C[C@H]1Br)C2	869461347	FIAAIUURFZYUSX-OPQQBVKSSA-N	319.195	1.492	50	20	DDGD	
CN(CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)C1CCC1	863852121	KTMBYNVXGNSYAD-UHFFFAOYSA-N	319.449	1.835	50	20	DDGD	
CCCCOC(=O)/C(C#N)=C/c1cn(C[C@H]2CCCO2)nn1	865215872	ZTVLSOULWJZPPE-CEFACKQISA-N	304.350	1.707	50	20	DDGD	
COc1cc(C#N)ccc1OS(=O)(=O)CBr	769935055	HTLSMUYFDYJIOL-UHFFFAOYSA-N	306.137	1.628	50	20	DDGD	
CN(C)CCCS(=O)(=O)NC[C@@]1(C)C[C@@H]1Br	867548854	GUUYXWRZRIBBDC-VHSXEESVSA-N	313.261	1.031	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2ccn(C)c2c1	869068238	OIFLIKLBVHGMAK-ZWNOBZJWSA-N	301.346	1.364	50	20	DDGD	
C[C@H](NNC(=O)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41)C(F)(F)F	862317720	LUNJUVWJUDFUEZ-KDIBRSELSA-N	300.324	1.952	50	20	DDGD	
C[C@@H](NNC(=O)c1cn(C)nc1-c1ccoc1)C(F)(F)F	862318543	VDAJCTXJRJUINK-SSDOTTSWSA-N	302.256	1.865	50	20	DDGD	
Cc1oc(C(=O)NC[C@@]2(C)C[C@H]2Br)cc1CO	869356065	CNDQLNJZVDMUPY-ZYHUDNBSSA-N	302.168	1.984	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H](C)OCc1cccc(C)c1	864458248	YZYVPLQNWBKGII-GFCCVEGCSA-N	307.419	1.581	50	20	DDGD	
CC(C)(C)Oc1ccc(CNCc2cccc(B(O)O)c2)cc1	863888793	KRVLJIOKBKATBA-UHFFFAOYSA-N	313.206	1.834	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	864483288	DJELIFAJXSVFRR-CQSZACIVSA-N	319.405	1.660	50	20	DDGD	
C[C@@H](NNC(=O)CCCc1nc(C2CC2)no1)C(F)(F)F	862313744	NPBZKHFPFYQOHQ-SSDOTTSWSA-N	306.288	1.841	50	20	DDGD	
Cc1cc(F)ccc1-n1cc(C(=O)NNC(=O)C(C)C)nn1	767191690	GMTUHDHCZFBORQ-UHFFFAOYSA-N	305.313	1.132	50	20	DDGD	
CCn1c(C(C)=NNC(=O)[C@H]2CCC(=O)N2)nc2ccccc21	863148708	IQUFGRFQNRAPSN-GFCCVEGCSA-N	313.361	1.175	50	20	DDGD	
O=C(Cc1cc(F)c(F)cc1F)NNC(=O)c1ccccn1	767732986	MCKAWNZIAMWYTQ-UHFFFAOYSA-N	309.247	1.503	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2coc(C(N)=O)c2)cc1Cl	760034175	NYGNLNHWWLHPIW-UHFFFAOYSA-N	304.693	1.660	50	20	DDGD	
CC[C@@H](C)n1nc(NC(=O)C(=O)NNC(=O)C2CCC2)cc1C	764336119	ZAXNAIFEBNDLBF-SECBINFHSA-N	321.381	1.049	50	20	DDGD	
Cc1csc(C(=O)NNS(=O)(=O)N2CCC[C@H]2C)c1	863413358	GSSSDPABOJPJSN-SECBINFHSA-N	303.409	1.020	50	20	DDGD	
CC(C)c1nocc1C(=O)NNc1ccccc1S(C)(=O)=O	860197623	XQACNRMYXGUGKY-UHFFFAOYSA-N	323.374	1.958	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H]1CCSC1	762107650	BKVLBPSAMSFYGN-LBPRGKRZSA-N	308.403	1.528	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@H]1C[C@]12CCOC2)c1ccccc1	763468179	UKKDCXBUVFPOSK-DYVFJYSZSA-N	302.374	1.538	50	20	DDGD	
COc1ccc(NNC(=O)c2ccn(-c3ccncc3)n2)nc1	1116801871	NPCKLMOJZXFHDM-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(N(C)C(C)C)c(F)c1	763443687	NKNUGRIMAWFMLR-UHFFFAOYSA-N	324.356	1.166	50	20	DDGD	
Cn1ccc2cccc(NC(=O)C(=O)NNc3cccnn3)c21	1116732397	HSYMCPGPZMCJMR-UHFFFAOYSA-N	310.317	1.050	50	20	DDGD	
CC(C)(C)OC(=O)CCC(=O)NNC(=S)NCC1CCC1	768211913	QCRMQRZWNRBKJW-UHFFFAOYSA-N	315.439	1.404	50	20	DDGD	
O=C(NNC(=O)c1cnn2ncccc12)c1cc2ccccc2o1	765414212	ONPWFUXQXOJCKE-UHFFFAOYSA-N	321.296	1.550	50	20	DDGD	
CCC(=NNC(=O)Cc1cc[nH]n1)c1cccc(OC)c1OC	872378042	SDBZPFDVAJRQIU-UHFFFAOYSA-N	316.361	1.900	50	20	DDGD	
CC[C@@H](O)[C@@H](C)C(=O)NNc1cncc(Br)c1	1119533465	XMUFVDBELPAGDN-GMSGAONNSA-N	302.172	1.694	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H](C)Cc1ccc(OC)cc1	875430755	OIFKONQRSUABCC-LLVKDONJSA-N	309.366	1.786	50	20	DDGD	
COC(=O)CNC(=O)NN=CCCc1c(F)cccc1Cl	779822647	GHEDOKQNZJUXNT-UHFFFAOYSA-N	315.732	1.870	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccnc(Cl)c1	772071633	QPKPSVBTLCJJBD-UHFFFAOYSA-N	316.814	1.223	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1c(C)nc2sccn12	1116761048	VYCWOCYNGVTUHD-UHFFFAOYSA-N	320.422	1.385	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)Cc2cccnc2)c(F)c1	776894156	SGOYVDFOAAQWRF-UHFFFAOYSA-N	315.304	1.427	50	20	DDGD	
O=C(NNc1ccccn1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	777473070	VXSYALKONBGWKF-LLVKDONJSA-N	314.320	1.717	50	20	DDGD	
Cn1cncc1CCNC(=O)[C@@H](Br)C(C)(C)C	773850538	BHZDWSDKGWXSJU-SNVBAGLBSA-N	302.216	1.888	50	20	DDGD	
CC(C)C[C@H]1OCCC[C@H]1NS(=O)(=O)CBr	774899324	MFBIMRNCECBFKH-NXEZZACHSA-N	314.245	1.852	50	20	DDGD	
CCOC(=O)C1(C)CC(=NNC(=O)c2ccc3c(c2)OCO3)C1	872328475	UMFRDWUGZUSEHM-UHFFFAOYSA-N	318.329	1.864	50	20	DDGD	
O=C(NNc1ccc(F)cc1)[C@@H]1CCCN1C(=O)C(F)(F)F	776326824	CYFKSSDSINMXKF-JTQLQIEISA-N	319.258	1.822	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2C[C@H]2OC(C)(C)C)cc1	1124151866	NUNWKUYSNVJOOX-CHWSQXEVSA-N	306.362	1.660	50	20	DDGD	
CSCCNC(=S)NNC(=O)C1CCC(Cl)CC1	1123681357	XMUQKNWPDUAVSL-UHFFFAOYSA-N	309.888	1.642	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(C)nc2OC)nc1	777427358	CKNVWOUWAQJXPL-UHFFFAOYSA-N	316.317	1.337	50	20	DDGD	
CS(C)(=O)=Nc1ccc(NC(=O)NNC(=O)C2CCC2)cc1	888239637	RMSYWFBSDWEQGR-UHFFFAOYSA-N	324.406	1.999	50	20	DDGD	
COCc1ccc(NC(=O)C(=O)NNc2ncccc2C)cc1	773731496	UOZBTNJNQRZELG-UHFFFAOYSA-N	314.345	1.618	50	20	DDGD	
CO[C@@]1(C(=O)NNC(=O)c2ccc(Cl)cc2)CCSC1	887605271	YMDCKBAMEMECJR-ZDUSSCGKSA-N	314.794	1.623	50	20	DDGD	
CN(NC(=O)Nc1cccc([C@@]2(C)COC(=O)N2)c1)C1CC1	881101979	ZPRLTCKMSCUPSU-OAHLLOKOSA-N	304.350	1.772	50	20	DDGD	
O=C(NNC(=O)C1(c2cccc(F)c2)CC1)C1CCOCC1	883063087	CLPSABSKEZTCSE-UHFFFAOYSA-N	306.337	1.431	50	20	DDGD	
CCO[C@H](CC(=O)NNC(=O)c1ccc(C)c(O)c1)C(C)C	882048562	CISILYKZKUAQDE-CQSZACIVSA-N	308.378	1.913	50	20	DDGD	
CN1Cc2ccccc2[C@@H](NS(=O)(=O)CCCCl)C1	882019879	SXHJYZZEXDHTCY-ZDUSSCGKSA-N	302.827	1.721	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ccnn1-c1ccc(F)cc1	880701087	NWKJAIYGQKFBKE-UHFFFAOYSA-N	317.324	1.964	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)Cc1ccccc1SC	782909001	ZFHOLGBOMWTHDK-UHFFFAOYSA-N	309.391	1.799	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1csc(C)c1	880640807	WFQHEGLOXFURFX-VIFPVBQESA-N	301.368	1.261	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@@H]1CCC(=O)c2ccccc21	786098671	IIUWGSCLEZSXKI-OAHLLOKOSA-N	323.352	1.532	50	20	DDGD	
CC(C)C[C@H](NS(=O)(=O)CCCCl)C(=O)OC(C)C	881897611	TWEPZRJMFGPXQJ-NSHDSACASA-N	313.847	1.901	50	20	DDGD	
CCOC(=O)C1(CC(=O)NNC(=O)NC2CCCC2)CCC1	789174367	TTXAAWSCDGBREI-UHFFFAOYSA-N	311.382	1.383	50	20	DDGD	
CCC(=NNC(=O)CSc1nc(C)cc(C)n1)c1cn[nH]c1	788953950	GGSYZOUEWDNUMH-UHFFFAOYSA-N	318.406	1.839	50	20	DDGD	
CCc1cncc(C(=O)NNC(=O)Cc2cn3ccccc3n2)c1	789974779	XSAIJHDGMMYJIY-UHFFFAOYSA-N	323.356	1.295	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cnc(Cl)cn1	787909786	JDUQBWXYZWUHRW-UHFFFAOYSA-N	306.709	1.674	50	20	DDGD	
COc1ccc(NNC(=O)c2cc3c(nc2O)CCC3)nc1	781520622	DCKKOGHSSTVPAY-UHFFFAOYSA-N	300.318	1.436	50	20	DDGD	
O=C(NNC(=O)C(F)(F)C1(O)CCCC1)NC1CCCC1	786005496	BLRUOUFDOPWGCC-UHFFFAOYSA-N	305.325	1.200	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(O)cc([N+](=O)[O-])c2)nc1	781517831	DNOYTRXXWBGEMU-UHFFFAOYSA-N	304.262	1.461	50	20	DDGD	
CC(C)Cc1ncc(C(=O)NNc2ccnc(N(C)C)n2)s1	895275020	DPMGZYJHZCUNGT-UHFFFAOYSA-N	320.422	1.955	50	20	DDGD	
CC(C)(C)[S@](=O)CCNC(=O)NNc1ncncc1Cl	780990744	SOMAABQEIVBAAA-HXUWFJFHSA-N	319.818	1.303	50	20	DDGD	
COC(=O)c1ccccc1CC(=O)NNc1ccc(OC)cn1	781522417	XGFNRRNBISOMCA-UHFFFAOYSA-N	315.329	1.563	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@]2(C)CCCOC2)cc1C	781143353	VDXQXOBGEKJQCP-QGZVFWFLSA-N	320.389	1.646	50	20	DDGD	
Cc1cc(C)cc(C(=O)NNc2ccccc2S(N)(=O)=O)c1	788230036	FOCIHEIWCZJYOC-UHFFFAOYSA-N	319.386	1.708	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)NOC[C@H]1CCOC1	788325235	GXUMUPJWTVSJTN-VIFPVBQESA-N	317.292	1.882	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccnn1-c1ccccc1	899997565	YKTHTCDLGYEFNJ-UHFFFAOYSA-N	317.418	1.780	50	20	DDGD	
CO[C@@H](C(=O)NNc1cc(C#N)cc(Cl)n1)c1cnn(C)c1	798987380	RWMUIKYLFYDVMZ-GFCCVEGCSA-N	320.740	1.171	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)CC(C)(C)O)cc1OC	792028753	DYLSRXFISZOSDA-UHFFFAOYSA-N	324.377	1.406	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H](c2cccnc2)C(C)C)nc1O	798106758	NCVNGQSVGSXNHB-NSHDSACASA-N	302.338	1.164	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc(C2CC2)cnc1Cl	793455013	DZLQZHJSMNYHCY-UHFFFAOYSA-N	319.752	1.719	50	20	DDGD	
COc1cccc(OC)c1C=NNC(=O)c1ccc(O)c(O)c1	794556031	OIMAKFHMCDKNKY-UHFFFAOYSA-N	316.313	1.879	50	20	DDGD	
O=C(Cc1ncccc1F)NNC(=O)c1cc2ccccc2o1	792212234	OBMFFDUFOQWCRX-UHFFFAOYSA-N	313.288	1.971	50	20	DDGD	
CC1(C)CC(=NNC(=O)C(C)(C)O)c2cc([N+](=O)[O-])ccc2O1	794932415	GWROKPXKGUXSLB-UHFFFAOYSA-N	321.333	1.747	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1cccc(CC#N)c1	794588123	XASQKKQOMVMKBU-UHFFFAOYSA-N	309.391	1.498	50	20	DDGD	
COc1coc(C(=O)NNc2ccc(C#N)c(Cl)c2)cc1=O	798991399	JKJLUHRGDWTQNS-UHFFFAOYSA-N	319.704	1.930	50	20	DDGD	
COCc1ncc(C(=O)NNC(=O)c2ccccc2F)s1	794756668	AGAIRUNYQKUSPP-UHFFFAOYSA-N	309.322	1.503	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccc3n[nH]cc3c2)c(O)c1	794984611	RHWOJKMBFWNLRS-UHFFFAOYSA-N	324.340	1.581	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1cccnc1)c1ccc(F)cc1F	1318893311	LJEAFYOOTBKKHL-JTQLQIEISA-N	319.311	1.853	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1	1317873380	KISCSDXUKTZLDU-UHFFFAOYSA-N	322.346	1.858	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H]1CCCCN1Cc1ccncc1	1318479620	SGZXFWAGJRCUSI-AWEZNQCLSA-N	319.409	1.177	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CCc1cc(F)ccc1F	1317952382	FXRCQTRPJCKNGF-UHFFFAOYSA-N	301.362	1.801	50	20	DDGD	
CCC(O)(CC)CCNC(=O)NNc1nncc(N)c1Cl	1320980886	GOUQHTSYGOUUDV-UHFFFAOYSA-N	316.793	1.280	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccn2C)c(C)n1C1CC1	1321414905	SNEQWXYZFLEVLH-UHFFFAOYSA-N	300.362	1.853	50	20	DDGD	
C[C@@H]1CCN(CC(=O)NNC(=O)c2cccs2)CCS1	755199677	NQFWWBKGBIJVBT-SNVBAGLBSA-N	313.448	1.337	50	20	DDGD	
CCO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1ccc(OC)cc1	1324737217	RTKVFGCBIPOWEU-ZIAGYGMSSA-N	321.377	1.597	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(CC(=O)OC)cc2)nn1C	1328819687	FZYKWXBTMWBLQD-UHFFFAOYSA-N	316.361	1.455	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@]2(F)CCOC2)ccc1F	1330803451	BFNQACSFDMPKMZ-CYBMUJFWSA-N	300.261	1.184	50	20	DDGD	
C[C@@H]1CCN(CCNC(=O)NNC(=O)c2ccccc2F)C1	1333876259	MZIMZEVRGOQFDT-LLVKDONJSA-N	308.357	1.112	50	20	DDGD	
C[C@@H]1Nc2ccnn2[C@H](C)[C@H]1CCC(=O)NNC(=O)C1CC1	1346073850	YSGRRDCVZBUULS-UMNHJUIQSA-N	305.382	1.212	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCCCc1ccsc1	1343179778	QVCCRUBHLQXFAK-UHFFFAOYSA-N	318.402	1.649	50	20	DDGD	
CCCn1nccc1C=NNC(=O)c1n[nH]c2c1CCCC2	1347221911	CYVCUWKGEFAKQM-UHFFFAOYSA-N	300.366	1.659	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NOCc1ccc(F)cc1	1349076196	MYPDXVOFBRVCOT-JOYOIKCWSA-N	311.313	1.013	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)C2CCOCC2)c(Cl)c1	1262038783	ZDNZQTDYEUIMFY-UHFFFAOYSA-N	310.737	1.915	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cncc3nc[nH]c23)cc1F	1602384754	WBWRCQNFNGSWIP-UHFFFAOYSA-N	315.264	1.552	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@H]2CCc3nccn3C2)c1F	1602448600	ULDZVYRIIWMJKZ-SECBINFHSA-N	318.308	1.426	50	20	DDGD	
CCC(CC)=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	1604020289	VTLFYJZJVBYXOO-UHFFFAOYSA-N	302.338	1.538	50	20	DDGD	
O=C(CCc1ocnc1C(=O)O)NNc1cc(Cl)ccn1	1601296440	CTFIEGKJOJBDCQ-UHFFFAOYSA-N	310.697	1.497	50	20	DDGD	
C[C@H](CC(=O)O)C(=O)Nc1cccc(NC(=O)NN(C)C)c1	1609732252	LTHMOHGQLUHRBZ-SECBINFHSA-N	308.338	1.334	50	20	DDGD	
N#CCc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)cc1	1606351169	FJWZHXSHAOOCII-UHFFFAOYSA-N	320.316	1.085	50	20	DDGD	
CN(C(=O)/C(C#N)=C/c1cnn(C)c1)C1(C(=O)O)CCCCC1	1605950016	LIIMDYFJJVTPDX-MDWZMJQESA-N	316.361	1.573	50	20	DDGD	
C[C@H]1CCNC[C@H]1NC(=O)NNc1ccc(C(=O)O)cc1F	1604760667	QVEJBPYWWUXHLO-QPUJVOFHSA-N	310.329	1.148	50	20	DDGD	
C[C@H](CN1CCCCCC1)C(=O)NN=C1CC(CC(=O)O)C1	1604164712	FYFFUILBHZWPHU-PZORYLMUSA-N	309.410	1.855	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H]1CCc2cc(-c3nn[nH]n3)ccc21	1609239899	ZTQUTKDFFDQGKW-FWLQQBITSA-N	324.344	1.414	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccc(C(=O)O)cc2F)o1	1607733820	ZDQOCUVGELHBOY-UHFFFAOYSA-N	321.264	1.892	50	20	DDGD	
O=C(O)c1cncc(C(=O)NNc2nccnc2C2CCC2)c1	1602535877	QNVRYYDYXWZZFJ-UHFFFAOYSA-N	313.317	1.594	50	20	DDGD	
CCCc1c(C(=O)NN=c2cc[nH]cc2C)[nH]c(C)c1C(=O)O	1605365815	KHTGKUMNZPKCKI-UHFFFAOYSA-N	316.361	1.856	50	20	DDGD	
O=C(Cc1ccc(C(=O)O)cc1)NN=c1cc[nH]cc1Cl	1601355955	BSNPZYIGTAWYJS-UHFFFAOYSA-N	305.721	1.541	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2C[C@@H]23)cc1	1602127259	LIJNCLCSLMCBGU-JSFFLRCESA-N	315.373	1.984	50	20	DDGD	
COCc1ncc(C(=O)NNc2ccccc2C(=O)O)s1	1610275793	XRWRHROZNODMHZ-UHFFFAOYSA-N	307.331	1.745	50	20	DDGD	
CC(Cc1cccc(C)c1)=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549903629	BAKLGMYAIVTPMH-DLBZAZTESA-N	315.417	1.893	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1c(F)cncc1F	1550697658	VWDXEVALDLPBFQ-ZWNOBZJWSA-N	324.331	1.063	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@@H]1C=NNC(=O)[C@@H]1CCCCO1	1552762235	BLMCXKYIELLUEQ-HZSPNIEDSA-N	320.393	1.652	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C=NNC(=O)[C@H]1CCCCO1	1552453737	MBURDNWNAFRGQO-MGPQQGTHSA-N	320.393	1.559	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H](F)[C@@H]2CCNC2)c1C	1579768277	UFTKASNCXGNZDW-DGCLKSJQSA-N	324.425	1.569	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C[C@H]2CC[C@@H](N)C2)c1	1579672506	DXSOSFYRRBXKDC-UONOGXRCSA-N	319.405	1.347	50	20	DDGD	
C[C@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cn1)n1cccc1	1574508100	MKZPWOWTYCQFGM-SNVBAGLBSA-N	312.337	1.158	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCNC1)c1c(F)c(F)cc(F)c1F	1580732685	GJRVTSYQMCIMGP-ZCFIWIBFSA-N	319.258	1.004	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)S)C1	1846366356	JUUWFOSBKFTOHP-MNOVXSKESA-N	318.870	1.916	50	20	DDGD	
CCCC(=O)N1CC2(CCCN2C(=O)CCBr)C1	1842637647	PDCMXPBQVJSSOT-UHFFFAOYSA-N	317.227	1.775	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C/c1ccc(-c2nn[nH]n2)c(C)c1	1590602326	JBAHAOKTNSXDFB-UKTHLTGXSA-N	310.361	1.998	50	20	DDGD	
C#CC(=O)N1CCCC12CN(C(=O)[C@@](C)(Cl)CCl)C2	1845959789	GRKCYPPCEFGIAQ-LBPRGKRZSA-N	303.189	1.059	50	20	DDGD	
N#CC1(C(=O)NNc2ncccc2C(=O)O)CCSCC1	1594602718	ZBORISSWUNBURF-UHFFFAOYSA-N	306.347	1.260	50	20	DDGD	
CN(Cc1ccc(C(=O)O)cc1)C(=O)/C(C#N)=C\c1cnn(C)c1	1598510092	KOVNHJUVFLNTEG-CHHVJCJISA-N	324.340	1.684	50	20	DDGD	
O=C(NNc1ccccc1Cl)c1coc(-c2nn[nH]n2)c1	1593166780	NHXXUKIHKLIWMC-UHFFFAOYSA-N	304.697	1.870	50	20	DDGD	
O=C(O)[C@@H](C(=O)NNc1ncccc1[N+](=O)[O-])C1CCCC1	1594835584	JGHJKCHPJSKBMX-SNVBAGLBSA-N	308.294	1.324	50	20	DDGD	
C[C@]1(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)O)C[C@H]1Br	1593745170	FIRRIYLTGJSBKD-LNLATYFQSA-N	316.195	1.873	50	20	DDGD	
COc1ccc(C(=O)O)cc1C=NNC(=O)NCc1ccco1	1776039211	XYAUTTLJHOJEGB-UHFFFAOYSA-N	317.301	1.820	50	20	DDGD	
O=C(Cc1ccccc1O)NN=Cc1cc(C(=O)O)cs1	1776094300	LSDLQILDYYFXIO-UHFFFAOYSA-N	304.327	1.845	50	20	DDGD	
C#CC(=O)Nc1ccc(C2(NC(=O)[C@H](O)CCl)CCC2)cc1	1791198963	FSHWWSSDEAGIMY-CYBMUJFWSA-N	320.776	1.353	50	20	DDGD	
CC(C)[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl	1796804575	LZIDWWICVPHFFH-OSUNSFLBSA-N	320.792	1.176	50	20	DDGD	
CC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl	1796362530	DZFWLSIHLYUFAO-LMLFDSFASA-N	320.792	1.157	50	20	DDGD	
C[C@H]1CC(NC(=O)NNC(=O)c2cccc(C#N)c2)C[C@H](C)O1	158551110	BTDKZDAUZPMQSM-QWRGUYRKSA-N	316.361	1.458	50	20	DDGD	
O=C(NNc1nc2ccccc2c(=O)[nH]1)c1c(O)cccc1F	164794199	FLVAGKDZGDYTNH-UHFFFAOYSA-N	314.276	1.525	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNc2nc3ccccc3c(=O)[nH]2)c1	151836368	CWULTQMBPCPIMG-UHFFFAOYSA-N	311.301	1.211	50	20	DDGD	
O=C(COc1ccc(Br)cc1)NNC(=O)C1CC1	512395	OLRGQZPEEOOUEG-UHFFFAOYSA-N	313.151	1.385	50	20	DDGD	
NS(=O)(=O)c1ccc(NC(=O)NN=C2CCCCC2)cc1	6040371	QDTGOANLSNNVKQ-UHFFFAOYSA-N	310.379	1.776	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)nc1	8198912	WIFHVSLEBSRIOM-UHFFFAOYSA-N	320.692	1.718	50	20	DDGD	
Cc1cccc2[nH]cc(CC(=O)NNC(=O)c3cccnc3)c12	103426397	AGIMPWWOWHVHIC-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)n1	174894054	HPMQBTBLSRFZOA-NSHDSACASA-N	320.397	1.119	50	20	DDGD	
O=C(NNC(=O)c1ccc(OC[C@H]2CCCO2)cc1)NC1CC1	68266706	XLCOSGUCJHQWOZ-CQSZACIVSA-N	319.361	1.351	50	20	DDGD	
COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCCC1	28902479	GYIDVEPJIYWKQV-UHFFFAOYSA-N	311.769	1.205	50	20	DDGD	
Cn1cnc(C(=O)NNC(=O)Cc2ccc3ccccc3c2)c1	179075348	ZTONVBGLDQUBMK-UHFFFAOYSA-N	308.341	1.577	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1cc(F)c(F)c(F)c1	175507759	ATXVOMUZJWEPRG-UHFFFAOYSA-N	305.256	1.683	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)Cn2nc(C)cc2C)CCCC1	119913454	IMXGZPYETIDEMM-UHFFFAOYSA-N	321.425	1.801	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ncccc1Cl)N1CCCC1=O	114884893	GUFILUJWXIRKNB-LBPRGKRZSA-N	310.785	1.825	50	20	DDGD	
Cc1ccc(OCc2ccc(C(=O)NNC(=O)CO)o2)c(C)c1	180965436	RQPQMHVZWHCNIX-UHFFFAOYSA-N	318.329	1.229	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1ccc(C(=O)c2cc[nH]c2)cc1	175930214	WCSDFXRJTUWFLG-UHFFFAOYSA-N	322.324	1.649	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCC#Cc2ccccc2)cc1	60993458	UCALPBCYVOBASR-UHFFFAOYSA-N	318.336	1.554	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CNc1ccc(C)cc1C)N(C)C	126353583	IHTMKRXAVUVQQA-CQSZACIVSA-N	306.410	1.203	50	20	DDGD	
CC[C@@H](C(=O)NNc1nnc(-c2ccccn2)s1)N(C)C	188252287	DPPNFIBXLQIMAD-JTQLQIEISA-N	306.395	1.383	50	20	DDGD	
COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(CCCCl)cc1	128368755	TXOCFFGODCNCMS-SNVBAGLBSA-N	319.810	1.698	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CCOc1ccccc1	61481660	FPJOIBJFQGYQJC-UHFFFAOYSA-N	314.341	1.925	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)NC1CCCC1	65919979	JIOLHPMUMYIQHE-HZMBPMFUSA-N	319.361	1.488	50	20	DDGD	
COCCCCC(=O)NNC(=O)c1c(C)nc2ccccn12	122188992	JOUUTFNPWCUBDZ-UHFFFAOYSA-N	304.350	1.220	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)NCc2ccco2)c1	122849039	QIVWKTAERVLQBY-GFCCVEGCSA-N	317.345	1.886	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1c(F)cccc1F	182759320	ZXLZTMNLWNCZGN-UHFFFAOYSA-N	306.272	1.755	50	20	DDGD	
CCc1cccc(NC(=O)C(=O)NNC(=O)c2ccc(C)o2)c1	129672942	LBMRKNAOHMHMJZ-UHFFFAOYSA-N	315.329	1.550	50	20	DDGD	
Cc1nc(CC(C)C)c(C(=O)NNC(=O)[C@@H]2CCCO2)s1	120240743	IKHWRJSDFGXJRS-NSHDSACASA-N	311.407	1.590	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@H](C)CO[C@H]1CCOC1	185527480	KRAMWFQNBOKXPH-NEPJUHHUSA-N	311.357	1.954	50	20	DDGD	
COC(=O)NNC(=O)Cc1csc(-n2c(C)ccc2C)n1	185420049	MWSWTHAWJWBIAF-UHFFFAOYSA-N	308.363	1.480	50	20	DDGD	
Cc1cc(NNC(=O)CCn2cc([N+](=O)[O-])nc2C)nc(C)n1	128563698	CKMUTLWLCFPTTC-UHFFFAOYSA-N	319.325	1.040	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)C1=Cc2ccccc2OC1	78688191	KSONGMLATOOATK-UHFFFAOYSA-N	310.309	1.629	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)c1ccc2ccccc2n1	129631417	MVORGDLGMHCJLA-NSHDSACASA-N	301.346	1.811	50	20	DDGD	
CN(C)CC(=O)NNC(=O)CSCc1ccc(Cl)cc1	75653243	NFOPXMBGWWHKDT-UHFFFAOYSA-N	315.826	1.282	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@H](C)CN2CCCCC2)n1	181426761	AYBVFGHLJYBUTC-ZDUSSCGKSA-N	321.425	1.838	50	20	DDGD	
CC(C)c1ccc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1	73079209	DPGJDGMEKLUQTM-OAHLLOKOSA-N	324.446	1.916	50	20	DDGD	
O=C(C[C@@H]1CCCO1)NNC(=O)c1cc(-c2ccccc2)n[nH]1	47063732	UBGVGDSFSUWEHE-LBPRGKRZSA-N	314.345	1.407	50	20	DDGD	
CCOC(=O)[C@H](CC(C)C)NNC(=O)Cc1ccc(F)cc1	180959122	UXEWAUBNBZUAHM-AWEZNQCLSA-N	310.369	1.967	50	20	DDGD	
COc1nccnc1NNC(=O)COc1ccc(Cl)cc1	131945013	IVJBHMJVLPFUIV-UHFFFAOYSA-N	308.725	1.661	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2ccncc2F)c1	130664701	RRNBBZZTVNMNFI-UHFFFAOYSA-N	303.293	1.369	50	20	DDGD	
O=C(C[C@H]1CCCCO1)NNC(=O)c1cccc2ncccc12	87319705	DIVPZTPXTPBSPC-GFCCVEGCSA-N	313.357	1.955	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCc1c[nH]c2ccccc12	41961618	OIOWFQPZBKWZKI-UHFFFAOYSA-N	302.403	1.782	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3	194934244	APTVQCYCDHCKMQ-UHFFFAOYSA-N	300.362	1.963	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)CCOC[C@H]2CCCO2)c1	93542798	GFZVKVQETMLSOK-LLVKDONJSA-N	324.768	1.635	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cccc2cc[nH]c12	91822083	FPZCNVRRGXXJJE-UHFFFAOYSA-N	308.432	1.640	50	20	DDGD	
O=C(NN=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccn1	254840886	JTLMAQHOGVPCJT-UHFFFAOYSA-N	313.273	1.079	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)/C=C\c2cnc(C)s2)nc1	255642723	JURHULYQCIVCOT-XQRVVYSFSA-N	318.358	1.790	50	20	DDGD	
COc1ccccc1C(C)(C)C(=O)NNC(=O)c1cc(C)n[nH]1	269078110	BZOGAXPLMFMUKW-UHFFFAOYSA-N	316.361	1.466	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cc2c(cc1F)NC(=O)CC2	268935225	DDGYQHLJXWCXIC-UHFFFAOYSA-N	323.324	1.880	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cccc(NC(=O)N(C)C)c1	265823947	RSMCOBNNQVVEAW-UHFFFAOYSA-N	307.354	1.133	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	269803422	CBHRZDLQYCAWEI-LBPRGKRZSA-N	321.377	1.204	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1cn2ccccc2n1)C(C)(C)C	266954407	UPTYZPTVRYRBHX-LLVKDONJSA-N	302.378	1.706	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)C[C@@H]1C=CCC1	273314580	WFFGTKGKEWGXOE-GHMZBOCLSA-N	311.382	1.403	50	20	DDGD	
CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)N2CC=C(C#N)CC2)C1	272701032	WEBBDNZBKHJWRM-DZGCQCFKSA-N	319.405	1.332	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@H]1CCc2n[nH]cc2C1	367643231	MTLVTJZXYUSARQ-NSHDSACASA-N	323.356	1.499	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NNC(=O)c2ccc(C)o2)C1(C)C	271771365	CVJYCBWQIUSDIA-MVWJERBFSA-N	309.366	1.592	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2(c3cccnc3)CCCC2)n[nH]1	365891191	QHNDDTGFQKNNEM-UHFFFAOYSA-N	313.361	1.386	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])c(OC)c1	271261100	IMRGHMSLHNUBMT-XFFZJAGNSA-N	305.290	1.273	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNC(=O)CC2CCCC2)c1	274047359	HQHUGPAJLVBKOQ-UHFFFAOYSA-N	319.361	1.361	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C1=C(C)OCCC1	270523201	ZHAAAZJFDVSHJW-UHFFFAOYSA-N	319.361	1.339	50	20	DDGD	
COC1(C(=O)NNC(=O)CNc2ccc(C)cc2C)CCC1	272899190	PBWOKZMFBVMGRJ-UHFFFAOYSA-N	305.378	1.432	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CCc3cn[nH]c3C2)c1	272778819	FJPKFCKWDWVWPK-SNVBAGLBSA-N	314.345	1.445	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H](C)c2ncnn2C)cc1	276827658	DTXQPDCHCORRHB-SNVBAGLBSA-N	316.365	1.083	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(Cl)cc1C	276139029	IXCUIOSWOOIKJN-UHFFFAOYSA-N	312.757	1.279	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)[C@H]1CCCCS1(=O)=O	274782355	JWRQNINKTOMPPN-CYBMUJFWSA-N	319.386	1.645	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl	271251757	FLHNYFRRUOYQGL-UHFFFAOYSA-N	300.702	1.554	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)c1	282586730	XQDGRSBVQFBFMZ-JTQLQIEISA-N	318.299	1.536	50	20	DDGD	
O=S(=O)(CBr)N1CC[C@@H](C2CCOCC2)C1	374718393	TVKBSYRBRWYWOD-SNVBAGLBSA-N	312.229	1.417	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNC(=O)OC(C)(C)C)cn1C1CC1	289100181	PNVVQIOMFVXOKD-UHFFFAOYSA-N	307.350	1.661	50	20	DDGD	
C=CCNC(=S)NNC(=O)C(F)(F)c1ncccc1C	281076872	FPROEVYMQTVUAH-UHFFFAOYSA-N	300.334	1.163	50	20	DDGD	
O=C(NC[C@@H]1CCCSC1)NNc1ccc(Cl)nn1	287991990	OLPYQMUSCBJMAJ-QMMMGPOBSA-N	301.803	1.899	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cc2cn[nH]c2cc1C	285259317	OCTLCCBKAQBOPO-UHFFFAOYSA-N	324.431	1.937	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](O)c1ccc(Cl)cc1F	291623336	HDVTUNGZFPADRY-JTQLQIEISA-N	303.721	1.205	50	20	DDGD	
CN1C(=O)CC[C@@H]1C(=O)NNc1ncccc1C(F)(F)F	806900690	CAPZTQQMQXJOHH-MRVPVSSYSA-N	302.256	1.164	50	20	DDGD	
COC1(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)CCCC1	802123316	KMRUWYUURPBOHB-UHFFFAOYSA-N	320.393	1.865	50	20	DDGD	
Cc1nnc(CCNC(=O)NNC(=O)c2ccccc2C)s1	291120876	MDMJKMITTGBNIZ-UHFFFAOYSA-N	319.390	1.342	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCCCC1)c1cn(C)c(C)n1	800808434	KLGPTCRQYHNWPQ-GFCCVEGCSA-N	305.426	1.691	50	20	DDGD	
COC(=O)NNC(=O)[C@H](NC(=O)c1cccc(C)c1)C(C)C	298289293	CUTPNJKLYAHGFZ-GFCCVEGCSA-N	307.350	1.137	50	20	DDGD	
CCCNc1ccc(CNC(=O)NNC(=O)[C@@H]2CCCO2)cc1	292735082	STBBUHQPIYMMHM-AWEZNQCLSA-N	320.393	1.518	50	20	DDGD	
O=C(COCc1cccnc1)NNc1ccc2c(=O)[nH]ccc2c1	807504051	JGILNYKYFSISHK-UHFFFAOYSA-N	324.340	1.583	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ncccc2Cl)sn1	806967365	FBQXTQBMDOKFNU-UHFFFAOYSA-N	311.754	1.582	50	20	DDGD	
CO[C@H](CNS(=O)(=O)CBr)Cc1ccccc1	295293035	NOPBWLVVFYPQPW-NSHDSACASA-N	322.224	1.516	50	20	DDGD	
C[C@H]1CSC[C@H]1NC(=O)NNC(=O)Cc1ccc(F)cc1	805791323	JAUNRKHQOWLROY-JOYOIKCWSA-N	311.382	1.450	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)C3(O)CCCC3)cc2C1	299251331	ZGWMKZGXYPRYOO-JTQLQIEISA-N	322.430	1.939	50	20	DDGD	
C[C@H](NC(=O)C1CCCCC1)C(=O)NNc1cccc(F)n1	804770731	PGIZARRZWFSPSJ-JTQLQIEISA-N	308.357	1.749	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccn(-c2ccccc2)n1	295341756	HZVYILIGLUGOBE-AWEZNQCLSA-N	314.345	1.202	50	20	DDGD	
NC(=O)c1ccc(NC(=O)NNc2ncccc2F)cc1F	806256907	VLOUKGXEJQFUDM-UHFFFAOYSA-N	307.260	1.607	50	20	DDGD	
CNC(=O)NCCC(=O)NNc1ccc(OC(F)F)cc1	293449424	SIMCDTDZNDXBGA-UHFFFAOYSA-N	302.281	1.050	50	20	DDGD	
O=C(COc1cccc(Cl)c1)NNC(=O)[C@H]1CCCCO1	295597504	PQFKWYBNQHMYGY-GFCCVEGCSA-N	312.753	1.435	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cccc(Oc2cnccn2)c1	294218085	QNHZTHHAJDJXHM-UHFFFAOYSA-N	312.329	1.830	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(-c3ncon3)cc2)O1	294365457	VQLMCKIUDLMWDN-CABZTGNLSA-N	316.317	1.065	50	20	DDGD	
Cn1c(CC(=O)NN=Cc2ccc(N)nc2)nc2ccccc21	807950965	AZEGMKZKDXKHBM-UHFFFAOYSA-N	308.345	1.243	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@H]1C[C@H]1Cc1ccccc1	296279841	BOPMWROHJOWBMJ-ILXRZTDVSA-N	317.389	1.517	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C(C)(C)OC(C)=O)cc1	802058444	FNTLDUJFGWVXBG-UHFFFAOYSA-N	309.322	1.190	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCCCCN2CCCC2)o1	296725150	CLLAHVQMICZNEF-UHFFFAOYSA-N	322.409	1.798	50	20	DDGD	
CCc1nc(C)c(CNC(=O)NNC(=O)c2ccccc2C)o1	293649095	LEWQDWQYGHZKOE-UHFFFAOYSA-N	316.361	1.998	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CC(OC(C)C)C2)cc1	814768194	LXGJOJUVYPUVCN-UHFFFAOYSA-N	303.362	1.993	50	20	DDGD	
COCC1(C(=O)NNc2ncncc2Cl)CCOCC1	811325935	IHNRXGFQEOYCOR-UHFFFAOYSA-N	300.746	1.016	50	20	DDGD	
COc1cnc(C(=O)NNC(=O)c2cccc3cccnc23)nc1	815151245	CXOLYTMVJHBUNO-UHFFFAOYSA-N	323.312	1.108	50	20	DDGD	
Cc1cc(CN)cc(NC(=O)NNC(=O)[C@@H]2CCCCO2)c1	818635648	PVNCBSVKHOWOKQ-ZDUSSCGKSA-N	306.366	1.176	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2c(F)ccnc2F)c1	816806551	GAPPMFQKJUZJPP-UHFFFAOYSA-N	320.299	1.501	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C(C)c1cc(CO)on1	812222174	LPCIBTQUQVZOOT-UHFFFAOYSA-N	318.333	1.128	50	20	DDGD	
CO[C@H](C)[C@@H](C)NC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	811959934	KRLDQUAHNWPHKP-GHMZBOCLSA-N	323.397	1.512	50	20	DDGD	
CC(CCc1ccc2c(c1)OCO2)=NNC(=O)Cc1cc[nH]n1	814957456	GRJMPGHCZIVSRT-UHFFFAOYSA-N	314.345	1.806	50	20	DDGD	
O=C(NCc1cnn2ccccc12)NNc1ncncc1F	814336133	WGEAKOMTFBZJMH-UHFFFAOYSA-N	301.285	1.090	50	20	DDGD	
O=C(Cc1cnccc1Cl)NNC(=O)c1ccccc1F	816814165	JPBFRSGNKWLJLM-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)COc2ccccc2C=O)c1	728828061	ILYDNQHPIBGKDF-UHFFFAOYSA-N	323.308	1.211	50	20	DDGD	
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)C1CCN(C)CC1	814858272	RJQMKZGAZXPNKF-UHFFFAOYSA-N	320.349	1.748	50	20	DDGD	
CCN(CCO)NC(=O)C(CC)(CC)C(=O)OC(C)(C)C	823893379	HKWYJNUABCPTDC-UHFFFAOYSA-N	302.415	1.480	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(C(=O)N[C@H](C)CC)cc1	495820301	QZJNRYRNVYVBJP-SNVBAGLBSA-N	322.365	1.998	50	20	DDGD	
CO[C@H](Cc1ccccc1)C(=O)NNc1nc(C)cc(C)n1	822342730	ZBALZOUPJJTNKZ-CQSZACIVSA-N	300.362	1.794	50	20	DDGD	
COC(=O)C1(NC(=O)/C(C#N)=C/c2ccc(O)cc2)CCCC1	491012678	RWBSCDMEKBFOIS-JLHYYAGUSA-N	314.341	1.901	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1	823816106	PAXHICJLJNADSR-LSDHHAIUSA-N	319.405	1.774	50	20	DDGD	
CCc1nc2ccc(C(=O)NN(C)[C@H](C)CO)cc2nc1CC	823976503	FGSNVWRMJAYJCN-LLVKDONJSA-N	316.405	1.712	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccnc(C2CC2)c1	826447867	ZLSLSMAQYPKNJM-UHFFFAOYSA-N	321.344	1.896	50	20	DDGD	
CC[C@@H](CC(=O)NNc1nnc(C)c(O)n1)c1ccccc1	728962249	KSRPMZULKHIAAP-NSHDSACASA-N	301.350	1.913	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@H](C)Oc1ccc(C(F)(F)F)cc1	823934115	CEQFIBOTSRTERV-VHSXEESVSA-N	320.311	1.817	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=S)N[C@H](C)C2CC2)c1	727269978	FGVKWKHKIKJKHX-GFCCVEGCSA-N	321.446	1.976	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)[C@@]12CCC[C@@H]1C2	820362581	SRMYJVNNLAUZTK-IAQYHMDHSA-N	323.418	1.570	50	20	DDGD	
CN(C)CCCN(Cc1ccccc1)S(=O)(=O)CCl	725351510	MYDHUHWYNICTFF-UHFFFAOYSA-N	304.843	1.966	50	20	DDGD	
Cc1ccc(C(F)(F)F)c(NC(=O)NNC(=O)CN(C)C)c1	825440916	MENWLNSJVJGPGQ-UHFFFAOYSA-N	318.299	1.728	50	20	DDGD	
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)C1CCCC1	495386949	APAFQJINHJBQPK-LLVKDONJSA-N	313.398	1.627	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)CCCCN(C)C	822728765	XYBNQCCIUPZTAN-UHFFFAOYSA-N	311.357	1.787	50	20	DDGD	
C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1ccc(B(O)O)c(F)c1	584990257	SWHVDTAQEPTFDE-YPMHNXCESA-N	321.201	1.792	50	20	DDGD	
CN1CCO[C@H](C(=O)NNc2cccc(Cl)c2Cl)C1=O	909930170	WAKGMHXCMUXJJN-SNVBAGLBSA-N	318.160	1.294	50	20	DDGD	
CC(C)[C@H](CC(F)(F)F)NC(=O)c1ccc(B(O)O)cc1	584978971	HFZHZOONDONRKG-NSHDSACASA-N	303.089	1.073	50	20	DDGD	
CCCO[C@H](C(=O)NN(C)C[C@@H](C)O)c1ccc(F)cc1C	822557905	OPUAOQQMYWUGRY-DOMZBBRYSA-N	312.385	1.946	50	20	DDGD	
C[C@@H]1OC(=O)N[C@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	497120658	RLTJVRVUEQFIBG-SSDLBLMSSA-N	314.685	1.188	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(C3OCCO3)cc2)o1	829830414	AJVBGZVPOPRKEQ-UHFFFAOYSA-N	316.313	1.708	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)CCC(C)(F)F)C[C@H](C)O1	732259214	AJOJFAMZPHXNAK-QWRGUYRKSA-N	321.368	1.069	50	20	DDGD	
COC(=O)NNC(=O)c1ccc2nc(C(F)(F)F)cn2c1	495534103	QELLUSRFAHVGTA-UHFFFAOYSA-N	302.212	1.354	50	20	DDGD	
C[C@@]1(CNC(=O)NCCn2ccnc2)C[C@H]1Br	856717128	AHBHEOZIBLZILJ-KOLCDFICSA-N	301.188	1.356	50	20	DDGD	
Cc1ccc(C=NNC(=O)Cc2cc(O)nc(S)n2)c(C)c1	730587822	QUNVWPILWCLFRT-UHFFFAOYSA-N	316.386	1.781	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)C2CCOCC2)cc1C	901276885	XAHLFMGXRWOQRT-UHFFFAOYSA-N	304.346	1.658	50	20	DDGD	
C[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)[C@H]2CCCC[C@H]12	584972765	GUGSFLWEIXCJQP-HCKVZZMMSA-N	305.158	1.156	50	20	DDGD	
CC(C)(CNC(=O)[C@@]1(C)C[C@H]1Br)S(C)(=O)=O	906906786	KSOLWMRYTCDKSX-XCBNKYQSSA-N	312.229	1.099	50	20	DDGD	
O=C(CN1CC[C@@H](C2CCC2)C1)NNC(=O)c1ccccc1	839677553	SRDWOHGZQUEXGB-OAHLLOKOSA-N	301.390	1.570	50	20	DDGD	
CCc1nc(CNC(=O)NNc2cc(F)c(F)cc2F)n[nH]1	838627403	SNOBDAQBVUPGHB-UHFFFAOYSA-N	314.271	1.611	50	20	DDGD	
Cc1ccc(CCC(=O)NNC(=O)c2cnn(C)c2)cc1Cl	735444627	ZEDHUKHEPUANRG-UHFFFAOYSA-N	320.780	1.776	50	20	DDGD	
CC(C)c1nnc(CNC(=O)[C@]2(C)C[C@@H]2Br)n1C	907240873	QCYPFSYGTWIPRY-QPUJVOFHSA-N	315.215	1.728	50	20	DDGD	
O=C(CCCOc1cccc(Cl)c1Cl)NCB(O)O	585061868	KMEOYVNYHHABJB-UHFFFAOYSA-N	305.954	1.281	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(=O)c3ccccc3o2)nc(C)n1	736716902	OQLNWNWIWOEZMF-UHFFFAOYSA-N	310.313	1.957	50	20	DDGD	
CCCN1CCC[C@H](C(=O)NNC(=O)c2ccc(C#N)cc2)C1	906460345	SJHQFVMCQZHXOY-HNNXBMFYSA-N	314.389	1.441	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NC[C@@H]1CC1(C)C	732893459	PQTMRWWPNYWFHS-MNOVXSKESA-N	323.368	1.970	50	20	DDGD	
N#Cc1cccc([C@@H]2C[C@H]2C(=O)NNC(=O)[C@H]2CCCCO2)c1	839781676	XXKFBFUNHYDWKT-RRFJBIMHSA-N	313.357	1.378	50	20	DDGD	
Cc1cc(C(=O)Nc2cccc(B(O)O)c2)nn1[C@@H](C)C1CC1	584914321	UXVCOIWGICEMMK-NSHDSACASA-N	313.166	1.095	50	20	DDGD	
C[C@]1(C(=O)NNc2ncncc2Cl)C[C@@H]1Br	907603856	MXJAEBCZEPODAZ-RCOVLWMOSA-N	305.563	1.747	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1cnn(C)c1)C(=O)c1ccccc1	735473212	OOGOONPBDLZPCE-LLVKDONJSA-N	314.345	1.090	50	20	DDGD	
C[C@H](NC(=O)C1CCCC1)C(=O)NNc1ncc(F)cc1F	837206739	OQRQJEPEVKJLIH-QMMMGPOBSA-N	312.320	1.498	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(C)c(C(=O)O)c1	901195931	WLIOGJZEWDWYGE-NSHDSACASA-N	308.334	1.195	50	20	DDGD	
OB(O)c1cccc(-c2noc([C@@H]3C[C@H]4[C@@H](C3)C4(F)F)n2)c1	585051877	GFYYXIQSAMYBFH-GUDFOSOFSA-N	306.077	1.175	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CC[C@H](Cc2ccccc2)C1	584951841	PLESTBYOSYWUTM-OAHLLOKOSA-N	309.174	1.071	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2ncc(F)cc2F)c2nccn21	838689764	VGZQDMNIVSXPGZ-XCBNKYQSSA-N	308.292	1.888	50	20	DDGD	
Cc1ccc([C@H](C)NC(=O)NNC(=O)c2cnn(C)c2)s1	735581484	ITBFIFKCHDGFFU-VIFPVBQESA-N	307.379	1.495	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1Cl)C1(n2cnnn2)CC1	830762454	PXCNDHTUWLDVRE-UHFFFAOYSA-N	313.148	1.612	50	20	DDGD	
CCCN1CCC(NC(=O)NNC(=O)c2ccccc2F)CC1	730579448	PECHZGFTHFJQTM-UHFFFAOYSA-N	322.384	1.644	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2ccc3c(c2)nnn3C)cc1	737416345	BDYOLWUUZFQDCU-UHFFFAOYSA-N	322.372	1.839	50	20	DDGD	
O=C(CC1CCOCC1)NNC(=O)c1ccc(Cl)cc1O	735329792	CKGNCLJLXMVQAH-UHFFFAOYSA-N	312.753	1.623	50	20	DDGD	
Cc1ccc(F)c2c1C(=NNC(=O)c1ccc(O)cc1)C(=O)N2	732710857	VEXOEDUGFJSNBU-UHFFFAOYSA-N	313.288	1.926	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NOCCSC)ccc1F	838575227	TUTDOSPTIDAITJ-UHFFFAOYSA-N	317.342	1.533	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1ccc(N(C)C)nc1	918690854	CBEXWIJRRWNSDU-UHFFFAOYSA-N	313.361	1.923	50	20	DDGD	
CCCC[C@H](OC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)OC	837971105	LUHFQKYODZSHHS-OTAKNEKHSA-N	305.334	1.602	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc2c(C)nn(-c3ccccc3)c2n1	919879667	RSIYOZRDASLXLQ-UHFFFAOYSA-N	324.344	1.303	50	20	DDGD	
CC[C@H](NC(=O)NN[C@]1(C)CCS(=O)(=O)C1)C1CCCC1	838703427	IYBKJOUFPFQLNQ-GXTWGEPZSA-N	317.455	1.336	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CCCc3nn[nH]c32)c1	831894610	PRTKOWYVBIPIIA-LLVKDONJSA-N	315.333	1.155	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@H](C)c2ccco2)c1	741516410	VEXMUHUHDJJPBC-SNVBAGLBSA-N	318.329	1.862	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccc([N+](=O)[O-])cc2)n1	740112664	NUSBFFAFBKCTMU-UHFFFAOYSA-N	302.294	1.208	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)CCc1ccccc1)c1cnn(C)c1	743632957	LEZLOBZELYNSBF-GFCCVEGCSA-N	315.377	1.444	50	20	DDGD	
CC(C)N(C)S(=O)(=O)NNC(=O)c1ccc2ccccc2c1	747607069	QAZXGSGRSVWFOW-UHFFFAOYSA-N	321.402	1.659	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNc2cc(Cl)nc(C)n2)c1	747980047	MCIPZMXDAGFAGQ-UHFFFAOYSA-N	320.736	1.982	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)c2cc(C)nnc2C)cc1	846378024	ROXUOBHXHDFELR-UHFFFAOYSA-N	314.345	1.566	50	20	DDGD	
C[C@H](SCC(=O)NN(C)C[C@@H](C)O)c1nc2ccccc2[nH]1	910177012	HEZJFPDNLWBBAH-MNOVXSKESA-N	322.434	1.701	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)C(=O)N2CCCC2)c(F)c1	748137704	TXDWDILRRBSCNB-UHFFFAOYSA-N	307.325	1.297	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ncccn1)[C@H]1C[C@H]2CC[C@H]1C2	842170788	CBTLTTAQGHQVLK-FIQHERPVSA-N	303.366	1.245	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cccc(Oc2ccncc2)c1	910168503	TYYXGAGDBOOXNM-GFCCVEGCSA-N	301.346	1.831	50	20	DDGD	
O=C(COc1ccc(CO)cc1)NNC(=O)c1ccccc1F	916602717	AXUGUOJERKFIQE-UHFFFAOYSA-N	318.304	1.158	50	20	DDGD	
Cc1oc(C(C)C)cc1C(=O)NNC(=O)CN1CCCC1=O	913732648	DIWKFCRWYBBIFR-UHFFFAOYSA-N	307.350	1.095	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)c1c[nH]cc1C	916724017	MMLAXKAWAPNAHN-UHFFFAOYSA-N	317.345	1.562	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)CCCNC(=O)C(C)(C)C	849298286	BTIPZCSCSVADKX-SNVBAGLBSA-N	316.471	1.223	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NC1CC2(CCC2)C1	845723943	IMEZIHMKSXGYGO-UHFFFAOYSA-N	317.389	1.866	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1ccc2c(c1)CCC(=O)N2	842559557	WBIGXAHDVKUIIH-FZMZJTMJSA-N	315.373	1.837	50	20	DDGD	
O=C(C[C@H]1CCCC[C@@H]1O)NNC(=O)c1cccc(Cl)n1	912509000	YPIUUNCVVLSGIY-KOLCDFICSA-N	311.769	1.437	50	20	DDGD	
Cc1cnc(CNC(=O)c2c(C)nn(CCCl)c2C)nc1	910658003	UNELATJJJMDABY-UHFFFAOYSA-N	307.785	1.767	50	20	DDGD	
CC[C@H](C)n1nc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1C	843660617	KSWKGKAFNYUOOG-DLOVCJGASA-N	308.382	1.349	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)CCc1ccccc1F	849303760	KLJUGXTWLJBMNO-UHFFFAOYSA-N	302.371	1.365	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccccc1)c1cccc(Cl)n1	749721018	RNKOGTDTPXKKJC-UHFFFAOYSA-N	311.750	1.358	50	20	DDGD	
CSCc1ccc(C(=O)NNC(=O)Cc2ccncc2)cc1	747320076	PVZZNNUKJIKDBM-UHFFFAOYSA-N	315.398	1.948	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H]1CCCc2nn[nH]c21	847116621	PHNHAMWRORBWCD-JTQLQIEISA-N	314.349	1.386	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cnc(Cl)c(Br)c1	847288954	FRYILABKLPVEJY-UHFFFAOYSA-N	320.574	1.915	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=S)NCC2CC2)cc1	849253161	YHYLBZAHEGSRFA-UHFFFAOYSA-N	309.460	1.992	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)c2nn(-c3ccccc3)cc2O)o1	743428864	PAUPBRJZGNFKEH-UHFFFAOYSA-N	321.296	1.806	50	20	DDGD	
CC[C@@H](C)Oc1cccc(S(=O)(=O)NNC(=O)OC)c1	849303966	BIFCINCWIMLHPZ-SECBINFHSA-N	302.352	1.413	50	20	DDGD	
COc1ccc([C@H](C)CC(=O)NNC(=O)c2ncccn2)cc1	841349910	BKUGPPSHLHJTDB-LLVKDONJSA-N	314.345	1.440	50	20	DDGD	
NC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1cccc(Cl)c1	841946975	DBDGJKICLRXYOU-WCQYABFASA-N	324.812	1.802	50	20	DDGD	
Cc1cc(NNC(=O)N[C@H]2CCCN(C)C2=O)ccc1Cl	921313752	NNENNOLFCSFDEV-LBPRGKRZSA-N	310.785	1.895	50	20	DDGD	
CSSCCNC(=O)c1cccc(-c2nc(=O)o[nH]2)c1	854393384	GHAIXQNSSSPQMO-UHFFFAOYSA-N	311.388	1.771	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)C1[C@@H]2CCC[C@@H]12	855832025	QIOBQJDNUALAGG-GHMZBOCLSA-N	309.410	1.122	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC[C@H]1Cc1ccccc1	752315793	SLUCTUQILRHMRQ-AWEZNQCLSA-N	303.406	1.497	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)N[C@H](C)C1CCC1	756051109	RAKIVZZIPASLBD-LLVKDONJSA-N	321.377	1.593	50	20	DDGD	
O=C(CCOC1CCOCC1)NNC(=O)NC1CCCCC1	753275971	AZQHTASTIGMXPI-UHFFFAOYSA-N	313.398	1.235	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)N[C@@H]1C[C@H]2CCCCN2C1=O	922816834	KFGSRMRGCKVJNK-ZWNOBZJWSA-N	324.331	1.744	50	20	DDGD	
CCC[C@@H]1CCCC[C@H]1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1	858525534	YQFSVYUBAJNUGL-FRRDWIJNSA-N	324.425	1.202	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=Cc2cncn2C)cc1	755562150	BVQNRTZPIHFHSS-LBPRGKRZSA-N	316.361	1.736	50	20	DDGD	
CC(C)Oc1cccc(C(=O)NNC(=O)c2ccccn2)n1	755159643	VREZQOXYBJUIPU-UHFFFAOYSA-N	300.318	1.339	50	20	DDGD	
CNC(=O)C1(C(=O)NC[C@]2(C)C[C@H]2Br)CCC1	857399924	YEKVFKLVZBVNPA-KCJUWKMLSA-N	303.200	1.192	50	20	DDGD	
CCCCN1CCCC[C@@H]1CNC(=O)NNC(=O)c1cn[nH]c1	858206299	JCLMZOMYGLSPKJ-CYBMUJFWSA-N	322.413	1.008	50	20	DDGD	
C[C@@]1(CNC(=O)c2c[nH]c(C(N)=O)c2)C[C@@H]1Br	857399849	STYPCHACRNJCRE-KWQFWETISA-N	300.156	1.017	50	20	DDGD	
Cc1ncoc1CNC(=O)NC[C@@]1(C)C[C@H]1Br	923371645	CQSHYHPBKSAONR-MWLCHTKSSA-N	302.172	1.956	50	20	DDGD	
COc1cc(C=NNC(=O)c2cc(C)[nH]n2)c2c(c1)C[C@@H](C)O2	755793240	YTCNTJIALBMUEY-SNVBAGLBSA-N	314.345	1.814	50	20	DDGD	
CC(C[C@@H]1CCOC1)=NNC(=O)Cn1cnc2ccccc21	751520054	BXMANYLYUAESKB-ZDUSSCGKSA-N	300.362	1.955	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCc2cc(O)c(OC)cc2C1	925294284	TVMWOBAGJRIZIX-RAXLEYEMSA-N	302.330	1.729	50	20	DDGD	
CC[S@](=O)CCNC(=O)NNc1c(F)cc(F)cc1F	920085205	USMKTIZPEJWWJW-FQEVSTJZSA-N	309.313	1.499	50	20	DDGD	
CCN1CCC(NC(=O)NC[C@]2(C)C[C@@H]2Br)CC1	856831510	GUFSHERWMMTCRH-AAEUAGOBSA-N	318.259	1.943	50	20	DDGD	
CCc1ccc(-c2cc(C(=O)NNC(=O)C(C)(C)O)n[nH]2)cc1	756880953	RMYLIWFQZRFDDZ-UHFFFAOYSA-N	316.361	1.171	50	20	DDGD	
CO[C@@H]1CCN(C(=O)NNC(=O)c2cc(C)cs2)C[C@@H]1C	858706892	CTUSSIIEYLXAGI-WDEREUQCSA-N	311.407	1.768	50	20	DDGD	
O=C(COC(=O)C1CC(F)(F)C1)NNC(=O)c1cccs1	754126329	QYSCLNKWPFWULJ-UHFFFAOYSA-N	318.301	1.098	50	20	DDGD	
CC(=NNC(=O)C(F)F)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	853332701	ONVXBLIUISGPAF-VIFPVBQESA-N	321.324	1.380	50	20	DDGD	
C[C@]1(CNC(=O)C(F)(F)C2(O)CCC2)C[C@H]1Br	857394037	OJVBQAXSDJMMNQ-VXNVDRBHSA-N	312.154	1.826	50	20	DDGD	
CCOc1ccc(C(=O)CCC(=O)NN(C)C(=S)NC)cc1	854929899	XNLNKOPMCTZRQU-UHFFFAOYSA-N	323.418	1.516	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC[C@H](N(C)c2ccccc2)C1	852655550	YDDFCHUGXZSDQY-HIFRSBDPSA-N	318.421	1.143	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2ccc(Cl)cn2)[C@@H]1OC	852264891	RMRPSNITUFHHSR-FOGDFJRCSA-N	314.773	1.554	50	20	DDGD	
Cc1ccc(CCCNC(=O)NNC(=O)c2cn[nH]c2)c(C)c1	858090605	OXWYUSQCQIYQJZ-UHFFFAOYSA-N	315.377	1.603	50	20	DDGD	
CC1(C)CN(CC(=O)NNC(=O)C2CC2)[C@H]1c1cccnc1	854042003	UJOFCTIWSZSNOZ-AWEZNQCLSA-N	302.378	1.022	50	20	DDGD	
CCCS(=O)(=O)c1ccccc1C(=O)NNc1cccnn1	753090451	ISEJMOPHCOCFID-UHFFFAOYSA-N	320.374	1.417	50	20	DDGD	
CO[C@@]1(C)C[C@H](NC(=O)NNc2ncc(Cl)cn2)C1(C)C	856873938	YCHWBHLSGLTMLB-ZANVPECISA-N	313.789	1.960	50	20	DDGD	
C#Cc1ccccc1C(C)=NNC(=O)CNC(=O)c1ccco1	753698691	WSNFHUGDIKPBOP-UHFFFAOYSA-N	309.325	1.531	50	20	DDGD	
C[C@]1(CCC(=O)NNC(=O)CCc2ccccc2)CCC(=O)N1	753415268	OPKZAGFAOTYFEU-QGZVFWFLSA-N	317.389	1.216	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cccc(N2CCC2=O)c1	931163800	ICDKJTMFTWQBRU-UHFFFAOYSA-N	314.345	1.380	50	20	DDGD	
Cc1cccnc1[C@@H]1CCCC(=NNC(=O)[C@@H]2CCC(=O)N2)C1	863153076	MEJCAXRNASAIAF-OCCSQVGLSA-N	314.389	1.798	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)/C=C\CN1CCOCC1	868059110	VIOWAUGZHKBOJP-YVMONPNESA-N	303.406	1.889	50	20	DDGD	
COCCOCC(=O)NNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	869905760	PCPXBSMFGMONBQ-MELADBBJSA-N	312.410	1.403	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccnn2CC2CCC2)n1	864823601	POKWKBYEHHZMQH-UHFFFAOYSA-N	302.338	1.239	50	20	DDGD	
C[C@H](C(=O)NNC(=S)NC(C)(C)C)c1cccc([N+](=O)[O-])c1	762943823	GKIVYAYZFLMRJL-VIFPVBQESA-N	324.406	1.992	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CN(C)[C@@H]2CCSC2)n1	764374458	XXPBKAPAZNQRTP-SECBINFHSA-N	315.830	1.319	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1cc2c(C)nn(C)c2s1	863153332	RPQZXOZOHVOEHY-JTQLQIEISA-N	319.390	1.062	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)C(=O)c1ccc(Cl)s1	760035609	BTZBOUHOTGFLSU-UHFFFAOYSA-N	309.734	1.440	50	20	DDGD	
CCOc1ccc(C=NNC(=O)[C@H]2CCC(=O)N2)cc1OCC	863144716	DVKORPJZVZNZHL-GFCCVEGCSA-N	319.361	1.213	50	20	DDGD	
CCN1CCO[C@H](C(=O)NNc2ccc(F)c(Cl)c2)C1	863080658	IXFNQSLMQIVGIT-LBPRGKRZSA-N	301.749	1.643	50	20	DDGD	
CC1(C)CC[C@@H](NC(=O)NNc2ccc(-n3cccn3)nn2)C1	769014534	ZSHNZWWFZAENNB-LLVKDONJSA-N	315.381	1.867	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc2nnc(C(C)(C)C)n2c1	769356383	RYGAKQQLTFUEOI-UHFFFAOYSA-N	303.366	1.444	50	20	DDGD	
COC(=O)C(=O)NN=CC(C)(C)CN(C)Cc1ccccc1	1116189248	HJXQSNQLKZXAPJ-UHFFFAOYSA-N	305.378	1.420	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cnc([C@@H]2CCCO2)s1	760331787	LXDVPCCGJBPZFD-JTQLQIEISA-N	309.391	1.946	50	20	DDGD	
CC(CCCCO)=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1	766690580	OZHNMGJUMYGCOF-BPLDGKMQSA-N	313.442	1.386	50	20	DDGD	
Cc1ccc(C=NNC(=O)Cn2nnc(-c3ccccc3)n2)nc1	761793463	KLNLHOGXXPPDKT-UHFFFAOYSA-N	321.344	1.194	50	20	DDGD	
Cc1cc(C=NNC(=O)Cn2nnc(-c3ccccc3)n2)c(C)o1	767893376	OLNLFHKCQROVFC-UHFFFAOYSA-N	324.344	1.700	50	20	DDGD	
Nc1c(F)cccc1C=NNC(=O)c1n[nH]c2c1CCCC2	1118322618	LMSVFUNHQNIAHB-UHFFFAOYSA-N	301.325	1.774	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874951599	PNFOJVDBCBGJSD-OLZOCXBDSA-N	322.434	1.495	50	20	DDGD	
CN(C)c1nccc(NNC(=O)Nc2ccc(F)c(F)c2)n1	775389589	MQNLOSCVFJOYHL-UHFFFAOYSA-N	308.292	1.969	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	770747851	QRYJRURVBBRFKT-JPVQUXCTSA-N	308.422	1.901	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1COc2cc(F)cc(F)c21	875486516	RNYAOVGPDGZWBF-QMMMGPOBSA-N	301.249	1.311	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)C1CC(OC)C1	873770835	ABIHZQZYUHKOAC-UHFFFAOYSA-N	309.391	1.438	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C\c1ccc(OC)cc1	771892739	ZCIGTAOUDUSUCP-ZJRUKIMVSA-N	320.345	1.198	50	20	DDGD	
CCCc1cccc(C=NNC(=O)Cc2cc(O)nc(O)n2)c1	774391648	BWVCGRSGIYKOGL-UHFFFAOYSA-N	314.345	1.533	50	20	DDGD	
C[C@H](S[C@H](C)C(=O)NC[C@@]1(C)C[C@H]1Br)C(=O)O	872882018	DSSNWUOXZPAQDI-FBSDJGSXSA-N	324.240	1.871	50	20	DDGD	
CCOc1ccc2c(c1)[C@@H](NC(=O)NN(C)C(=O)OC)CCO2	875506499	KMIDQUPWFPCELJ-LBPRGKRZSA-N	323.349	1.821	50	20	DDGD	
Cc1cc(=NNC(=O)NCCC2CCN(C(C)C)CC2)cc[nH]1	876028564	XMHNYBWHMIOIAU-UHFFFAOYSA-N	319.453	1.949	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cc(OC)c(OC)cc1OC	878958249	NFZUFNBHBXHQGT-UHFFFAOYSA-N	313.310	1.447	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1CCO[C@H](C(CC)CC)C1	779394572	DJJDFRXCPWQIMK-STQMWFEESA-N	315.414	1.337	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(SC)cc1OC	772650760	VLLXSLQUDZVWTB-UHFFFAOYSA-N	313.379	1.606	50	20	DDGD	
CC1(OCC(=O)NNC(=O)c2ccc3c(c2)OCO3)CCC1	773253346	YHSIEPSGMWQESP-UHFFFAOYSA-N	306.318	1.136	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@](C)(O)C(C)C)c1C	770209192	RZHUVIMTMPMTBI-DYVFJYSZSA-N	322.405	1.625	50	20	DDGD	
Cc1ccoc1C(=O)NCCCNS(=O)(=O)CCCCl	881911933	MJAAHYPVUTXZHC-UHFFFAOYSA-N	322.814	1.256	50	20	DDGD	
CO[C@](C)(C(=O)NNc1ncccc1[N+](=O)[O-])c1ccccc1	776166999	FJRWMPRMLWTGJP-HNNXBMFYSA-N	316.317	1.995	50	20	DDGD	
Cc1c(C#N)c(=O)n(CCO[Si](C)(C)C(C)(C)C)c(=O)n1C	882267663	HJEWMLFDTSXCJJ-UHFFFAOYSA-N	323.469	1.749	50	20	DDGD	
CC[C@@H]1C(=O)NCCCN1C(=O)[C@@H](Br)C(C)(C)C	886506586	ARMFPGCBOSWDEO-NXEZZACHSA-N	319.243	1.923	50	20	DDGD	
COc1nccnc1NNC(=O)CCCc1ccc(O)c(F)c1	788003305	FVDICSFQYILYJG-UHFFFAOYSA-N	320.324	1.796	50	20	DDGD	
CS(=O)(=O)CCCCOC(=O)/C(C#N)=C/c1ccccc1	785378345	NLBMJKVAUOZFJK-SDNWHVSQSA-N	307.371	1.962	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@@H]1CCCCS1	784308631	KZXRLXSAYOTZJL-NSHDSACASA-N	323.418	1.925	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)ccn1	789872160	XXFSJVQWISSSQI-NSHDSACASA-N	317.320	1.758	50	20	DDGD	
COc1ccc(NNC(=O)c2cccc3c2OCCO3)nc1	781525355	JZPBWENLGFYVBJ-UHFFFAOYSA-N	301.302	1.618	50	20	DDGD	
C[C@H](C(=O)NNc1cc(Br)ccc1F)N(C)C	885149471	QDJQNWUBJPAUQD-SSDOTTSWSA-N	304.163	1.981	50	20	DDGD	
C[C@H]1CC[C@H](NC(=O)NNC(=O)c2ccc3c(c2)OCCO3)C1	780800448	RJDJUUKDAVSVCD-JQWIXIFHSA-N	319.361	1.590	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)c1ccc(F)cn1	784578870	BOHHLBZKZUXQOP-UHFFFAOYSA-N	305.334	1.846	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)nc1	781527057	QGJDENWXVCOROL-JTQLQIEISA-N	306.366	1.180	50	20	DDGD	
O=C(NN=C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(F)F	782235157	NJCZKEWMHDWNDB-UHFFFAOYSA-N	312.276	1.932	50	20	DDGD	
CCC[C@@]1(C)C(=O)NCCN1S(=O)(=O)CCCCCl	782516920	PNURHVQVEYQGEG-LBPRGKRZSA-N	310.847	1.326	50	20	DDGD	
C[C@]1(CNC(=O)NCC[C@@H](O)C2CC2)C[C@@H]1Br	895924206	TYHVXCAELLNVSU-JFGNBEQYSA-N	305.216	1.620	50	20	DDGD	
Cn1c(O)nc2ccc(C(=O)NNc3ncncc3Cl)cc21	781824920	UWUXIIDDVAPYMN-UHFFFAOYSA-N	318.724	1.479	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1cnn(Cc2ccccc2)c1	785465059	AKUNEARVRVMIBL-UHFFFAOYSA-N	300.362	1.543	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc3cncn3c2)nc1	786465215	HYFULZSBWICMAQ-UHFFFAOYSA-N	311.301	1.273	50	20	DDGD	
C#CCN1CCC[C@H](NC(=O)NNc2cccc([N+](=O)[O-])c2)C1	890376910	CANKBDRJYNHLSX-ZDUSSCGKSA-N	317.349	1.319	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COc2ccccc2C=O)n1	794080640	VEZNQYLPONOJDF-UHFFFAOYSA-N	313.313	1.043	50	20	DDGD	
CCc1ccnc(CNC(=O)NNc2ccc(Cl)nn2)c1	798118982	QBRWBUMFVBACBX-UHFFFAOYSA-N	306.757	1.914	50	20	DDGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)c1nccn2ccnc12	791144605	BRQZAVTUVRXKDG-UHFFFAOYSA-N	316.252	1.534	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H]2CCOC3(CCC3)C2)n1	793105287	RPOSMDLQXXLTNZ-LBPRGKRZSA-N	318.377	1.436	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccnc(C)n2)c2ccccc2n1	799010772	OXTLHECQXBBSLL-UHFFFAOYSA-N	321.340	1.716	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)NCc2ccco2)cc1	797359383	MUPUHSUMHXQPLH-UHFFFAOYSA-N	316.317	1.057	50	20	DDGD	
CC(C)C(=O)NNC(=O)NC[C@@H]1CCCN1C1CCCCC1	798105179	UJPIRTYETPUOMH-AWEZNQCLSA-N	310.442	1.770	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCC(F)(F)C2)cc1	794882821	HWPYKEHBUNROLL-NSHDSACASA-N	312.316	1.957	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)[C@H]1COc2ccccc2O1	792789566	KXUORVXOKVKNIJ-ZLKJLUDKSA-N	322.361	1.035	50	20	DDGD	
CC(=NNC(=O)Cc1ccncc1)c1cccc(N2CCC2=O)c1	794916144	YDVWWSWYTSNXSD-UHFFFAOYSA-N	322.368	1.901	50	20	DDGD	
C[C@H]1CC/C(=C/C(=O)NNC(=O)c2n[nH]c3c2CCCC3)C1	1319019725	BPCDHZUQPGGVAG-RGAIUGGKSA-N	302.378	1.796	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ncncc2F)cnc1Cl	1324252139	XBOCDVKDSPKYBT-UHFFFAOYSA-N	324.703	1.054	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)C[C@H]2COC(=O)C2)c1	1326335469	JJVOUWZCDCPSNM-SNVBAGLBSA-N	320.349	1.176	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1CC[C@@H]2CCCC[C@H]2C1	1329310208	JWGPKAAVVDMQOY-RYUDHWBXSA-N	305.158	1.158	50	20	DDGD	
CC(=NNC(=O)CCN1CCC(C)CC1)c1ccnc(C)n1	1326317308	DCZRVIDXZUAIOH-UHFFFAOYSA-N	303.410	1.747	50	20	DDGD	
COc1cccc(CCC(=O)NNc2ccncn2)c1OC	1324779256	YMFZXGOKCHHRFW-UHFFFAOYSA-N	302.334	1.570	50	20	DDGD	
CCc1ccc(C(=O)NNc2nnc(C)c(O)n2)cc1CC	1337239200	MUVITPZBLFEPKF-UHFFFAOYSA-N	301.350	1.767	50	20	DDGD	
C[C@]1(Cn2nnnc2N2CCC(F)(F)C2)C[C@H]1Br	1334659236	VIWNCNKRSVHMIU-VXNVDRBHSA-N	322.157	1.692	50	20	DDGD	
C[C@]1(CNc2ccc(S(N)(=O)=O)cc2)C[C@@H]1Br	1336685572	HZXQSKPNDNKMLV-WDEREUQCSA-N	319.224	1.919	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccc3c2OCO3)cc1	1337556258	ULXANMWQDJUMBV-UHFFFAOYSA-N	314.297	1.499	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)[C@H]1CCc2nnc(O)n2C1	1338950511	PPAZPTBYWQPQIW-VIFPVBQESA-N	305.313	1.137	50	20	DDGD	
Cc1ccc(NC(=O)N(C)C)c(C(=O)NNC(=O)C(C)C)c1	1339395542	DXEYGAGPKAEUSP-UHFFFAOYSA-N	306.366	1.506	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC12CCCC2)c1n[nH]c2c1CCCC2	1330678163	OSYAHRPUGFNQHO-LLVKDONJSA-N	302.378	1.630	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCc1nc2ccccc2s1	1341604083	PINMKDZNHUESSZ-UHFFFAOYSA-N	306.391	1.921	50	20	DDGD	
C[C@@H](O)CC(C)(C)CNC(=O)NNc1nncc(N)c1Cl	1340571606	HPJQDICJQVOZRY-SSDOTTSWSA-N	316.793	1.135	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(C)(C)[C@@H]1CCC[C@H](C(F)(F)F)N1	1345508604	WCCSGJDCPHTVNR-VHSXEESVSA-N	323.359	1.889	50	20	DDGD	
C=C(C)CCC(=O)NNC(=O)C1CCN(c2ncccn2)CC1	1357901924	XRUHOSNDHLLVOV-UHFFFAOYSA-N	317.393	1.197	50	20	DDGD	
CCc1ncoc1C(=O)NNC(=O)C(C)(C)c1ccccc1	1353572596	JNKLDROXMAURBA-UHFFFAOYSA-N	301.346	1.976	50	20	DDGD	
CCS(=O)(=O)N1CCN(C(=O)C2CCC(Cl)CC2)CC1	1520646558	CZWSVHCVMFTZHA-UHFFFAOYSA-N	322.858	1.278	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc2oc(C(=O)O)cc2c1	1605493236	MXVQEPQNOVWGOH-UHFFFAOYSA-N	320.305	1.829	50	20	DDGD	
O=S(=O)(CCCCCl)Oc1cccc(-c2nn[nH]n2)c1	1609592218	WNIQNCIZOCGHAE-UHFFFAOYSA-N	316.770	1.594	50	20	DDGD	
CC(C)c1cccc2c1OCCC2=NNC(=O)NCC(=O)O	1609720674	CXSFFPIFYAQUCG-UHFFFAOYSA-N	305.334	1.680	50	20	DDGD	
O=C(O)C1(NC[C@@H](CBr)C2CC2)CCOCC1	1601718603	IPCQYVUXYLAJJR-SNVBAGLBSA-N	306.200	1.631	50	20	DDGD	
C[C@@H](CC(=O)O)NC(=O)NNC(=O)Nc1cc(F)cc(F)c1	1603124964	AUNXVKPUMTYTAI-LURJTMIESA-N	316.264	1.164	50	20	DDGD	
Cc1ccc(C(=O)NN=C2C[C@H]3C[C@H](C(=O)O)[C@H]2C3)cc1O	1600341637	SXXNYKBGOKFALO-JLLWLGSASA-N	302.330	1.917	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=Cc2ccoc2C(=O)O)cc1	1601110099	HNNSKPLKQCLPNL-UHFFFAOYSA-N	313.269	1.379	50	20	DDGD	
O=C(O)[C@@H](CCF)NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	1601645981	XLPMHPNHIDXCEP-KIKITERTSA-N	322.174	1.869	50	20	DDGD	
O=C(O)[C@@H]1C[C@H]1c1ccc(NCc2ccc(B(O)O)cc2)cc1	1602201251	SLQKQURZXDHNOP-JKSUJKDBSA-N	311.146	1.167	50	20	DDGD	
O=C(NNc1cccnn1)c1ccc(-c2nn[nH]n2)c(Cl)c1	1606862084	RVBUTRMCZBVYJG-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)c2cc(O)cc(-c3nn[nH]n3)c2)c1	1609421491	GPWKIXXNNNOMAA-UHFFFAOYSA-N	324.344	1.946	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccc(C(=O)O)cc2F)c1C1CC1	1601021674	KMQQPPCIJCBJBC-UHFFFAOYSA-N	318.308	1.892	50	20	DDGD	
O=C(NNC(=O)C(=O)O)N[C@H](c1ccccc1)C1CCCC1	1608478413	YAYSOMVOZFEPOP-GFCCVEGCSA-N	305.334	1.333	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCO[C@@H](CC(=O)O)C1	1610618249	DWUONEDZRZEQMN-GMMCIKNFSA-N	318.304	1.435	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@H](N)CCCCC#N	1578850322	DQWJLDLNXFBEQJ-LLVKDONJSA-N	322.340	1.467	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)C2=CC[C@@H](N)C2)c1	1579673208	YNYKIYZOACZKME-GFCCVEGCSA-N	304.419	1.669	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@@H](N)CC(C)C)cc1	1574156499	IYACGEQUVPHVEA-ZDUSSCGKSA-N	309.435	1.608	50	20	DDGD	
Cc1cc(Br)cnc1NNC(=O)[C@@H](N)C(C)(C)C	1574127910	OECNAZMVHSQEJD-SECBINFHSA-N	315.215	1.969	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCn1cnc(C#N)c1-c1nn[nH]n1	1589213484	HMNSPTKBBCHJKV-UHFFFAOYSA-N	319.445	1.957	50	20	DDGD	
CCN(C)[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843365948	SXTQKBFTXGMBSI-QWRGUYRKSA-N	319.808	1.064	50	20	DDGD	
O=C(C(Cl)Cl)N1CC2(CCCN2C(=O)/C=C/C2CC2)C1	1841375433	BPWWYUOBIQZMQI-SNAWJCMRSA-N	317.216	1.960	50	20	DDGD	
O=C(NNC(=O)[C@@H]1NCC[C@H]2CCCC[C@@H]21)NC1CCCCC1	1580735725	DMKGRXNQPDZKRG-VHDGCEQUSA-N	322.453	1.818	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@H]1C(=O)O)Nc1cc(F)cc(F)c1	1594783279	YISAQSNGGYQKQF-NXEZZACHSA-N	313.260	1.228	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(Cl)c(-c2nn[nH]n2)c1	1590749217	YUQXTNDWRXMIFI-BQYQJAHWSA-N	318.724	1.903	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H]2C[C@H](C(=O)O)C2)cc1	1597500938	FCQNGGZSVITYNM-HAQNSBGRSA-N	305.334	1.056	50	20	DDGD	
Cc1csc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)c1	1592312367	BCUMWGVUJKXPQJ-UHFFFAOYSA-N	301.335	1.389	50	20	DDGD	
CC(C)CN1CCC[C@@H]1C(=O)NNc1ccc(C(=O)O)cn1	1591364497	FHSFLSTZWATYPB-GFCCVEGCSA-N	306.366	1.343	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)c1coc(-c2nn[nH]n2)c1	1593166151	YLWARQQQWTZIAV-UHFFFAOYSA-N	321.300	1.765	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc(C(=O)O)cc1F	1595115743	HJNRNKPQHJLYQI-UHFFFAOYSA-N	323.324	1.279	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=C(C)c1ccc(C(=O)O)c(F)c1	1776102796	YVRMTKPBCBDQME-WCQYABFASA-N	308.309	1.789	50	20	DDGD	
Cc1nsc(C=NNC(=O)c2cccc(C#N)c2)c1C(=O)O	1776042798	WIBFSOKQCQAGKS-UHFFFAOYSA-N	314.326	1.785	50	20	DDGD	
CCN1CCN(CCC(=O)NNc2cc(C)ccc2F)CC1	150803481	PNKPYKRPVXMXKU-UHFFFAOYSA-N	308.401	1.605	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H]1CS(=O)(=O)c2ccccc21	158308867	ZWQPONYVVUUWSN-ZJNQMXKESA-N	306.343	1.075	50	20	DDGD	
CCc1nn(C)c(CC)c1CNC(=O)NNc1ncccn1	163663369	ZNCRBIONBDFKAV-UHFFFAOYSA-N	303.370	1.161	50	20	DDGD	
C[C@@H]1CC[C@H](CC(=O)NNC(=O)COc2ccc(C#N)cc2)C1	164245945	OLWHOOYIKUIUPG-OCCSQVGLSA-N	315.373	1.911	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NNc1ccc([N+](=O)[O-])cc1	151214948	CGJBIILLJVJEKN-NSHDSACASA-N	309.326	1.265	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)cn1	156426413	SXJHLSKDOKOWFJ-WDEREUQCSA-N	320.299	1.263	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H]2C[C@@](C)(OC)C2(C)C)nc1	157467532	LHMAKUVTEWLEGY-XHDPSFHLSA-N	308.382	1.920	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)[C@H]1CCCc2sccc21	156656351	PJFZLGOFGOMALF-VIFPVBQESA-N	314.374	1.978	50	20	DDGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CCN2CC[C@H]1C2	381885942	IRLJZGBBUAAACC-ZDUSSCGKSA-N	314.838	1.547	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C23CC2C3)cc1	2088600782	NLKXOANKXAJHKV-VHTNMKBUSA-N	304.346	1.410	50	20	DDGD	
Cc1ccc(S(C)(=O)=O)cc1C(=O)NNC(=O)CC(C)C	10160202	YHVJXPPYAAOVBI-UHFFFAOYSA-N	312.391	1.206	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccc(OC(F)F)cc1	103424311	WKOGGOPUWDVTPP-UHFFFAOYSA-N	321.283	1.687	50	20	DDGD	
CCCCCS(=O)(=O)CC(=O)NNC(=O)CC(C)(C)C	103196339	XJMYQTFVHDOJHT-UHFFFAOYSA-N	306.428	1.175	50	20	DDGD	
Cc1cccc2c1CCN2[C@@H](C)C(=O)NNC(=O)CC(C)C	111209034	GDNCSIMQGTZJOD-ZDUSSCGKSA-N	303.406	1.940	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H]2CCCO[C@@H]2C(C)C)nn1	176792834	OURZWMCJKJPRST-TZMCWYRMSA-N	307.398	1.862	50	20	DDGD	
CCOC(=O)c1ccc(/C=C(\C#N)C(=O)NCCCOC)o1	176855022	AJRGVHXPIBPETK-PKNBQFBNSA-N	306.318	1.516	50	20	DDGD	
CCN(CC(=O)NNC(=O)C1CC1)Cc1ccccc1Cl	112976930	TYMXSNMKRDQYMB-UHFFFAOYSA-N	309.797	1.719	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)CCCc1ccccc1	179596485	WTQCENQYCIRIGV-CYBMUJFWSA-N	319.405	1.317	50	20	DDGD	
CN(C)C(=O)[C@@H](NNC(=O)c1ccc(C#N)cc1)c1ccccc1	172085814	AIHJIPQNDMCNTJ-INIZCTEOSA-N	322.368	1.622	50	20	DDGD	
CCCc1cc(C(=O)NNc2nnc(C)c(O)n2)sc1C	29066637	WBVUOYOVSYCEEL-UHFFFAOYSA-N	307.379	1.965	50	20	DDGD	
CCCOc1ccc(S(=O)(=O)NNC(=O)OCC)cc1	29044004	WPNHVCYYNRXWSG-UHFFFAOYSA-N	302.352	1.415	50	20	DDGD	
Nc1c(C(=O)NNc2ncc(F)cn2)cc(F)cc1[N+](=O)[O-]	123316811	USHRAASKBUADFA-UHFFFAOYSA-N	310.220	1.002	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C1[C@H]2CCC[C@@H]12	177618921	JRTKPWVUAMMBDQ-IOCATXQGSA-N	306.337	1.787	50	20	DDGD	
CSc1nccn1-c1ccc(C(=O)NN(C)C(N)=O)cc1	179694102	BRDAQGCYKTZKHG-UHFFFAOYSA-N	305.363	1.250	50	20	DDGD	
CC[C@H](OC)C(=O)NNC(=O)c1ccc(Cl)cc1OC	68179640	NTPSFSDEUFSCLC-JTQLQIEISA-N	300.742	1.535	50	20	DDGD	
Cc1cccc(NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)n1	125021138	UQIHGDYMTSQCDR-UHFFFAOYSA-N	315.289	1.765	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNC(=O)c2c[nH]c3ccccc23)c1	30600108	NRKVUZRACYLMDM-UHFFFAOYSA-N	322.324	1.342	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccccc2C(C)C)nn1	123830276	HDXUUJCERUBCPP-UHFFFAOYSA-N	313.361	1.990	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21	127251778	GSBUFFABFPJNLQ-SNVBAGLBSA-N	307.325	1.445	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2csnn2)cc1	79279949	RVWQFYNWEYMDGR-UHFFFAOYSA-N	308.388	1.400	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NNc1ccnc(F)c1	182528695	FHEXQXWFELZIPL-UHFFFAOYSA-N	306.253	1.651	50	20	DDGD	
Cc1ccccc1OCCN(C)S(=O)(=O)CBr	126664874	VHXLPEGVQWQXCS-UHFFFAOYSA-N	322.224	1.988	50	20	DDGD	
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NNc1ccncc1	180535788	NWPBARBWNSWJHG-CYBMUJFWSA-N	302.334	1.572	50	20	DDGD	
COCCC[C@H](C)C(=O)NNc1cccc(S(C)(=O)=O)c1	182681807	DAKHLEGRDYDVQI-NSHDSACASA-N	314.407	1.596	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NCC1CCC1	79534850	XXCFNZIZPFAQFW-UHFFFAOYSA-N	305.378	1.758	50	20	DDGD	
Cc1ccc(Cl)c(NC(=O)C(=O)NNc2ncccn2)c1	120070148	LMDHGVYJJGXOFE-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
CCOc1cccc(NC(=O)NNC(=O)Cc2cccnc2)c1	184464754	JCDLXXVOIXCZSY-UHFFFAOYSA-N	314.345	1.876	50	20	DDGD	
CCc1ccccc1NC(=O)C(=O)NNc1cc(C)nc(C)n1	130471021	WHCQXXAGGWMUHF-UHFFFAOYSA-N	313.361	1.738	50	20	DDGD	
CC[C@H]1C[C@@H](C(=O)NNC(=O)COc2ccc(F)cc2)CCO1	183340809	HXRZCKOUTPLBMP-AAEUAGOBSA-N	324.352	1.557	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C1CC=CC1	77733452	ARXZKTMVMHHKPT-UHFFFAOYSA-N	304.346	1.578	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)Nc2ccccc2Cl)nn1	133975927	WBQLIWOLLZCBHA-UHFFFAOYSA-N	306.713	1.378	50	20	DDGD	
CCOC(=O)N1CCC[C@@H](C(=O)NNc2cc(C)ccn2)C1	88423794	XYFLMGTYWWMHCB-GFCCVEGCSA-N	306.366	1.702	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(C)n(C(C)(C)C)n1	131934383	ZXCZMGUZFQVXHY-UHFFFAOYSA-N	304.354	1.502	50	20	DDGD	
COCCC1(C(=O)NNc2ncnc3nc[nH]c23)CCCC1	133546051	PPAXWNCKFXTPQC-UHFFFAOYSA-N	304.354	1.393	50	20	DDGD	
CC(C)OCCCNC(=O)NNc1ccc(-n2cccn2)nn1	43060751	LXQNBGSPXTUPHJ-UHFFFAOYSA-N	319.369	1.104	50	20	DDGD	
C[C@@H]1CCNC(=O)[C@H]1NC(=O)/C(C#N)=C\c1ccc(F)cc1	195149663	LPSDRUZVSVQWMU-UEYGRWJOSA-N	301.321	1.373	50	20	DDGD	
CCOC(=O)C[C@@H](C)CNC(=O)NNc1cccc(C#N)c1	89933745	UHYRSNYNRXTTTF-LLVKDONJSA-N	304.350	1.774	50	20	DDGD	
COc1ccc([C@H](C)CC(=O)NNc2nccn(C)c2=O)cc1	267457710	GUUCHIDIDZFGQK-LLVKDONJSA-N	316.361	1.426	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCn1ccnc1)c1ccccc1	264745407	ZURZSUWGPQTLIN-AWEZNQCLSA-N	300.362	1.614	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CCOc1cccc(C(N)=O)c1	267584210	SAMYIEQBWFRZJY-UHFFFAOYSA-N	323.349	1.110	50	20	DDGD	
C[C@H](CCN(C)C)NC(=O)NNC(=O)C(C)(C)c1ccccc1	264516134	PEVYACVGOLWGIN-CYBMUJFWSA-N	320.437	1.635	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)/C=C1/CC[C@@H](C)C1	267823664	AIQLWIIUNPYULE-YGYTWAPGSA-N	318.373	1.968	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2ccc(C)cc2OC)n1	268113493	CXTLYLMVEFHZAT-UHFFFAOYSA-N	317.349	1.629	50	20	DDGD	
CC(=O)N1CC[C@@](C)(C(=O)NNc2cccc(F)c2[N+](=O)[O-])C1	365760031	WWHZACGLZRASMG-CQSZACIVSA-N	324.312	1.436	50	20	DDGD	
COC1(C)CCN(C(=O)NNC(=O)c2ccccc2C)CC1	271572587	ABBZXCQUPWPPLN-UHFFFAOYSA-N	305.378	1.850	50	20	DDGD	
COCCOc1ccc(CC(=O)NNC(=O)C2CCC2)cc1	277573936	YACGKHVGEWQCES-UHFFFAOYSA-N	306.362	1.202	50	20	DDGD	
C#C[C@@H](C)NC(=O)NNC(=O)c1ccc(OCCC)c(OC)c1	274853276	WEDPNGBXKNJMEL-LLVKDONJSA-N	319.361	1.450	50	20	DDGD	
Cc1nc(C(C)(C)C)nc(O)c1C(=O)NNc1ccncc1	272978778	LPXVLJCKDGOVGX-UHFFFAOYSA-N	301.350	1.940	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cnn(C[C@H]2CCCO2)c1	368319580	SNRSMDDKSXCJKI-CMPLNLGQSA-N	309.370	1.261	50	20	DDGD	
COC1(CC(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)CCC1	276698527	OPGAPBNYXPGURB-LLVKDONJSA-N	324.352	1.700	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)Cn2cnc3ccccc32)CCCOC1	272958021	WFLLUHALJPFPGW-MRXNPFEDSA-N	316.361	1.000	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	270897272	QYLPHSDLTWXRPY-LURJTMIESA-N	316.701	1.436	50	20	DDGD	
C[C@H](C(=O)NNc1ccncc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	272601112	UISYPJJDJLEWGB-RTXFEEFZSA-N	316.361	1.088	50	20	DDGD	
O=C(NNc1cnccn1)C(=O)Nc1ccc(C2CCC2)cc1	280057718	ASWSDKMIUACNBN-UHFFFAOYSA-N	311.345	1.826	50	20	DDGD	
CCCNC(=O)CCC(=O)NNC(=O)Nc1ccccc1C	280895923	DJHVITYZBIAVEX-UHFFFAOYSA-N	306.366	1.454	50	20	DDGD	
O=C(CCCNC(=O)C1CC1)NNC(=O)Nc1ccccc1	283631585	BPIGEUYMICLWAI-UHFFFAOYSA-N	304.350	1.146	50	20	DDGD	
COCCn1cc(CNC(=O)NCCSSC)cn1	284243915	PHRLBOSZMGBARE-UHFFFAOYSA-N	304.441	1.340	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cnn(CCF)c2)cc1	287286730	VSTZELATMLTXDU-UHFFFAOYSA-N	304.325	1.490	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)C(C)(C)c2ccccc2)O1	281792947	FBAWYPXWQNCTJF-BZPMIXESSA-N	304.390	1.925	50	20	DDGD	
CCOC1(C(=O)NNC(=O)c2ccccc2OC)CCCC1	283813699	DGMKCUVADNOWEC-UHFFFAOYSA-N	306.362	1.806	50	20	DDGD	
COC1(C(=O)NNc2cc(Cl)nc(C)n2)CCOCC1	287802455	AAWVQWMTWDIGPN-UHFFFAOYSA-N	300.746	1.077	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cnc(C2CCCC2)nc1N	287798486	XQWLKXBDZFWSTL-UHFFFAOYSA-N	305.382	1.524	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNc1nnc(-c2ccccn2)s1	282295993	RZRBGLULFKJAPH-IQJOONFLSA-N	319.390	1.857	50	20	DDGD	
Cn1cnc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)c1	800791761	FTBJRDNVBBPNCS-IZZDOVSWSA-N	310.313	1.737	50	20	DDGD	
CO[C@@H]1CCCC[C@H]1NC(=O)NNc1ncc(F)cc1F	297790914	DROPSMMGLNSXLZ-GHMZBOCLSA-N	300.309	1.944	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)CC2(O)CCCC2)cc1	802122615	VKZVASBJFYZLOD-UHFFFAOYSA-N	320.393	1.601	50	20	DDGD	
O=C(NNc1cccnn1)[C@H]1CCN(c2ccccc2F)C1	290449238	JLLWCLLDRWWXDP-NSHDSACASA-N	301.325	1.585	50	20	DDGD	
O=C(NNc1ncccn1)[C@@H]1CCCCN1C(=O)c1ccco1	298945344	FXLOZSSOCJYREU-NSHDSACASA-N	315.333	1.208	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(C2CC2)cnc1Cl	295662739	WDTGVPLNGRIIAA-LBPRGKRZSA-N	323.780	1.943	50	20	DDGD	
COCCN(C)NC(=O)Cn1c(CSC)nc2ccccc21	808073701	JNJWTVLCZPHGFA-UHFFFAOYSA-N	322.434	1.509	50	20	DDGD	
O=C(NNc1ncccc1F)c1cc2c(cc1[N+](=O)[O-])OCO2	804217366	ZEMXPADIOYJZIY-UHFFFAOYSA-N	320.236	1.615	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H]2CCCSC2)c1	809933455	HMVGPNISOAGTGO-CYBMUJFWSA-N	322.430	1.973	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)O1	294185176	JXMWIQSFFDUFKK-XHSYRHOGSA-N	324.327	1.783	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CC[C@H](C)C[C@H]1C	299280156	MYQCVZQLBJODPJ-DZGCQCFKSA-N	317.433	1.805	50	20	DDGD	
CC1(C)C[C@@H]1NC(=O)NNC(=O)c1ccc2c(c1)OCCO2	299025546	HTIFEELYACKTPL-LBPRGKRZSA-N	305.334	1.200	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cc(C3CC3)n(C)n2)cc1	291181670	FFVFHUVESIUIPT-UHFFFAOYSA-N	313.361	1.688	50	20	DDGD	
Cc1ccc(CC(=O)NNc2ccc(-n3ccnc3)nn2)cc1C	804951271	PIZZWFYNMGWXBV-UHFFFAOYSA-N	322.372	1.965	50	20	DDGD	
O=C(NNc1cccnn1)c1cc(=O)c2ccc(F)cc2o1	803100513	VNOSZEMGPMCWGW-UHFFFAOYSA-N	300.249	1.479	50	20	DDGD	
CCCC(=O)N1CSC[C@H]1C(=O)N(C)CC(Cl)Cl	808248921	UDNOJLKQFWZRRF-QMMMGPOBSA-N	313.250	1.950	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)Nc1cc(F)cc(F)c1)C(C)C	802000013	ILISECVSTAOMNQ-LLVKDONJSA-N	301.293	1.789	50	20	DDGD	
N#Cc1cccc(C(=O)NNc2ccc(Br)nc2)n1	810396504	XEYNLEOROWWSBY-UHFFFAOYSA-N	318.134	1.868	50	20	DDGD	
Cn1ccc(CCC(=O)NNc2nccnc2C2CCC2)n1	816664030	SLVSKBNORGXCLL-UHFFFAOYSA-N	300.366	1.554	50	20	DDGD	
CO[C@@](C)(C=NNC(=O)c1nnc(O)c2ccccc12)C1CC1	814739959	IXNHFCOYVXVXCP-INIZCTEOSA-N	314.345	1.866	50	20	DDGD	
COc1ccccc1[C@@H](C)CC(=O)NNC(=O)c1ccnnc1	817694249	WBSUUIDVMUSUOH-NSHDSACASA-N	314.345	1.440	50	20	DDGD	
Cn1c(NNC(=O)CCn2ccccc2=O)nc2ccccc21	816580112	SHXIHOAGCJBRPL-UHFFFAOYSA-N	311.345	1.268	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNc1nc(-c2cccnc2)no1	812497413	YBVWGUHSOLUHMT-UWVGGRQHSA-N	305.338	1.493	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1cccnc1F	813365585	IXLWNQMQEQJQBB-UHFFFAOYSA-N	307.256	1.200	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)C1(c2c(F)cccc2F)CCC1	817595375	USOKOQVYBLOAPV-UHFFFAOYSA-N	312.316	1.305	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1ccc(N2CCCC2=O)cc1	818285312	CHKFRCSDCPXENJ-UHFFFAOYSA-N	323.356	1.757	50	20	DDGD	
Cc1ccccc1[C@H](CC(=O)NCCCSC#N)NC(N)=O	819698215	CYMBXWMOPQENPA-ZDUSSCGKSA-N	320.418	1.815	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)CNc1ccc(C)cc1	812456041	MTXIZRLHFJCJIW-STQMWFEESA-N	307.394	1.473	50	20	DDGD	
O=C(NNc1ncncc1F)Nc1cnn(-c2ccccn2)c1	814646655	LXSZQNKIMZZNQV-UHFFFAOYSA-N	314.284	1.345	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1conc1C1CC1	810340087	YKKDWMHCSSUAOQ-UHFFFAOYSA-N	312.289	1.754	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)Cc1c[nH]c2ccccc12)C1CCC1	813365589	JBTROLWYCMDVGZ-KRWDZBQOSA-N	315.373	1.409	50	20	DDGD	
COC(=O)Cc1ccc(NC(=O)NNC(=O)C2CCC2)cc1F	817321037	CAOKBAYSPXZZPB-UHFFFAOYSA-N	323.324	1.494	50	20	DDGD	
Cc1cc(F)cc(C(=O)NNc2ncncc2F)c1[N+](=O)[O-]	817082073	JOHAXISTNQBDBV-UHFFFAOYSA-N	309.232	1.728	50	20	DDGD	
Cc1cc(CC(=O)NN=c2sc3ccccc3n2C)on1	816844978	XBXKLUPSCCCXRG-UHFFFAOYSA-N	302.359	1.711	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCc2ccccc2)c(C2CC2)n1	812959100	ZAICZPQYDXNNAY-UHFFFAOYSA-N	312.373	1.691	50	20	DDGD	
CS(=O)(=O)CCCCNC(=O)NNc1c(F)cccc1F	824748868	SNAMYYYXGAHUFP-UHFFFAOYSA-N	321.349	1.416	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCc1ncc(-c2ccccc2F)o1	823982569	AZAUJROVPFPKHL-LLVKDONJSA-N	321.352	1.757	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(Br)ccc1O	822799747	IHRJIBKORRUARY-UHFFFAOYSA-N	316.155	1.509	50	20	DDGD	
Cc1cc(C=NNC(=O)Cc2cc(O)nc(S)n2)ccc1F	729143877	UDEVIVRLLQRVGV-UHFFFAOYSA-N	320.349	1.611	50	20	DDGD	
CCOC(=O)Nc1scnc1C(=O)NNc1ncccn1	497210834	BSXUKEMRMOTOJI-UHFFFAOYSA-N	308.323	1.258	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NN(C)[C@@H](C)CO)cc1OC	823934535	HIWSSGQYDVLJNF-NEPJUHHUSA-N	310.394	1.226	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)c1	827883493	IOUMQCHMZIXWHC-UHIISALHSA-N	308.403	1.969	50	20	DDGD	
C[C@H](SCC(=O)NN(C)[C@@H](C)CO)c1nc2ccccc2[nH]1	823988901	YEGLEPPWMSVRSM-QWRGUYRKSA-N	322.434	1.701	50	20	DDGD	
C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1CC[C@@H](B(O)O)C1	585077681	TXKIMKWIOMYDLP-BXUZGUMPSA-N	303.167	1.018	50	20	DDGD	
C=CCN(CC1CCCCC1)C(=O)c1ccc(B(O)O)c(F)c1	584943917	HQDWPYYBCUATMK-UHFFFAOYSA-N	319.185	1.714	50	20	DDGD	
COC(=O)CCN(C(=O)/C(C#N)=C/c1cnn(C)c1)C(C)C	823314965	NGNOKJHAICLDRJ-NTUHNPAUSA-N	304.350	1.127	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1cccc(COC)c1	727363350	ZUNNAORCEZKPIC-UHFFFAOYSA-N	315.395	1.126	50	20	DDGD	
CCCc1ccccc1S(=O)(=O)NNC(=O)c1cccn1C	901591477	AFOXIHHRXZPLIQ-UHFFFAOYSA-N	321.402	1.601	50	20	DDGD	
CN1[C@H]2CC[C@H]1CC(NC(=O)[C@]1(C)C[C@H]1Br)C2	909206422	MENPWRBSCZCERI-MEWQQHAOSA-N	301.228	1.901	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1csc(Cc2ccccc2F)n1	821217390	IOZHPAUKFPIHDW-JTQLQIEISA-N	323.393	1.830	50	20	DDGD	
CN(CCCC(=O)NNc1cc(F)c(F)c(F)c1)C(=O)O	828285016	JLDWDQOXBFFJDE-UHFFFAOYSA-N	305.256	1.937	50	20	DDGD	
O=C(NN=C[C@H]1C[C@H]2C=C[C@H]1C2)c1ccc(-c2nn[nH]n2)cc1	826444609	NEENYFPURUOXOQ-LEWSCRJBSA-N	308.345	1.795	50	20	DDGD	
CN(NC(=O)C1(C(=O)NC2CC2)CCC1)C(=O)OC(C)(C)C	496887050	WHMHXULYNMZGAK-UHFFFAOYSA-N	311.382	1.333	50	20	DDGD	
CC(C)(C)N1CC[C@H](NC(=O)NNc2ccc(F)cn2)C1=O	827076695	UFIBCEHXUFRMPW-JTQLQIEISA-N	309.345	1.246	50	20	DDGD	
OB(O)c1ccc(CN[C@@H](c2ccc(F)cc2)C2CCC2)o1	585021210	HIISRGQYMFTWLP-MRXNPFEDSA-N	303.142	1.730	50	20	DDGD	
O=C(c1ncoc1-c1ccc(F)cc1)N1CC[C@H](B(O)O)C1	585067332	VZRCDHIVYHMIBQ-JTQLQIEISA-N	304.086	1.170	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(-c2ccc(F)cc2)n1C	823964875	FPQFFQUQHBHNNX-NSHDSACASA-N	305.353	1.789	50	20	DDGD	
O=C(O)NCCCC(=O)NNC(=O)c1ccc2ccccc2c1	739956787	LLEJWYXWAHEXEQ-UHFFFAOYSA-N	315.329	1.649	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCc3ccc(F)cc32)c(F)c1	585022021	HFOPDQLNQRPQOX-MRXNPFEDSA-N	303.117	1.422	50	20	DDGD	
Cn1cccc1C(=O)NNC(=S)Nc1ccc2c(c1)OCO2	735236070	PEZJISZCJPYRPW-UHFFFAOYSA-N	318.358	1.385	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(-c2csc(C)n2)c[nH]1	731544366	KYTLQWOJQDBHLH-UHFFFAOYSA-N	321.431	1.742	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1	732286815	YAASAKGKVSCTKJ-UHFFFAOYSA-N	318.333	1.227	50	20	DDGD	
Cc1ccccc1C1=NO[C@@H](C(=O)NNC(=O)NCC2CC2)C1	906418072	RXJMSCLUPXLHAM-CQSZACIVSA-N	316.361	1.228	50	20	DDGD	
C=CC(=O)N(CC)CC(=O)Oc1ccc([N+](=O)[O-])cc1OC	900487987	MWUQQCGTUHKUMY-UHFFFAOYSA-N	308.290	1.543	50	20	DDGD	
CS[C@@H]1CCCC(=NNC(=O)C(=O)Nc2ccccn2)C1	901197906	FLTYEAAALVXIRT-LLVKDONJSA-N	306.391	1.798	50	20	DDGD	
CCOCC(=O)NN=C(C)c1cccc(OCC(=O)OCC)c1	731154061	RHMDBTILMDYRSQ-UHFFFAOYSA-N	322.361	1.505	50	20	DDGD	
CC[C@@H]1C[C@@H](C)CN1CC(=O)NNC(=O)Cc1ccccc1C	839505382	QOAZSSABAXTZNW-CZUORRHYSA-N	317.433	1.805	50	20	DDGD	
C=CCN(CC(=O)OCC)C(=O)/C(C#N)=C/c1ccc(O)cc1	588609370	WPPCKKPZZZQVCS-GXDHUFHOSA-N	314.341	1.877	50	20	DDGD	
C[C@@]1(C(=O)NCC2CCN(CC#N)CC2)C[C@@H]1Br	906797974	MSZBFKFUSAVASH-WCQYABFASA-N	314.227	1.512	50	20	DDGD	
O=C(O)NCCC(=O)NNC(=O)Cc1cccc2ccccc12	739937642	DLUKKCJIVFSJRG-UHFFFAOYSA-N	315.329	1.187	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@]2(C)CCCCO2)cc1C	837309235	FWTOMFPHGCIJFD-KRWDZBQOSA-N	320.389	1.789	50	20	DDGD	
CC(=NNC(=O)c1ccccc1O)c1c(C)nc(O)nc1O	839384915	WFDFOYKLWDNTRD-UHFFFAOYSA-N	302.290	1.056	50	20	DDGD	
C=CC(=O)N(CC)CC(=O)NNc1ccc(F)c(C(=O)OC)c1	909278090	RIBIJHNNNWKRCX-UHFFFAOYSA-N	323.324	1.090	50	20	DDGD	
CN(C)c1cccnc1CNC(=O)[C@]1(C)C[C@H]1Br	908276016	CFISQWNKEACDHW-DGCLKSJQSA-N	312.211	1.937	50	20	DDGD	
CN(C(=O)c1ccc(B(O)O)cc1)[C@H]1CCCc2ccccc21	584927249	PAZYRXIWRWAKAM-KRWDZBQOSA-N	309.174	1.516	50	20	DDGD	
CC[C@@H]1CCC[C@H]1CNC(=O)NNC(=O)[C@@H](C)OCCOC	838647931	ANXSGDLARAOJAI-UPJWGTAASA-N	315.414	1.195	50	20	DDGD	
COCCCNC(=O)NN=Cc1occc1Br	735229340	BAVZFYXGQDRXAR-UHFFFAOYSA-N	304.144	1.712	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2cccc(OC)c2O)CCCC1	839565982	AHGNPJSZSITLIB-UHFFFAOYSA-N	322.361	1.369	50	20	DDGD	
CC(C)Oc1cccc(NCc2ccc(B(O)O)cc2F)c1	585043593	ORIOVHRPMILUSH-UHFFFAOYSA-N	303.142	1.905	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)C[C@H]1OCCc2ccccc21	732198905	HWUKELHYNAILOC-SWLSCSKDSA-N	319.405	1.178	50	20	DDGD	
CO[C@@]1(C(=O)O)CCN(C(=O)[C@H](Br)C(C)(C)C)C1	910219658	PBTLEAXSZOOYKH-UFBFGSQYSA-N	322.199	1.498	50	20	DDGD	
COc1cccc(NCC(=O)NN=Cc2ccc(O)cc2O)c1	916359434	BGRSOMNVLQCLQP-UHFFFAOYSA-N	315.329	1.669	50	20	DDGD	
O=C(NC[C@@H]1CCCC1(F)F)NNC(=O)[C@@H]1CCCCO1	836603432	MVJGVTUMAGXQRQ-UWVGGRQHSA-N	305.325	1.321	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2	917598033	WCEMRMWSZQWMDW-BIIVOSGPSA-N	310.345	1.416	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@H](C(=O)O)C1)NC1CCCCC1	833149350	NTKZEOCXYNQFFO-QWRGUYRKSA-N	311.382	1.541	50	20	DDGD	
O=C(O)NNC(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1	833280634	NUZYAILOKMJEHM-UHFFFAOYSA-N	309.713	1.889	50	20	DDGD	
CC[S@](=O)CCNC(=O)NNc1cc(C(F)(F)F)ccn1	836311817	VCXXREXGYKTTPX-NRFANRHFSA-N	324.328	1.495	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)c1ccncc1Cl	744508011	OBYPRQSDTWTSCR-UHFFFAOYSA-N	321.720	1.281	50	20	DDGD	
COCCOCCCCNC(=O)NNc1ccc(Cl)nn1	749932875	ZIMCDNXWHWDJLJ-UHFFFAOYSA-N	317.777	1.199	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)[C@@H]1CCCc2nn[nH]c21	830821888	ZEXJKICXZCNOKL-ZCFIWIBFSA-N	311.267	1.785	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C(C)(C)C	742469833	ITLQMHMNWBSORY-FPAJZGIOSA-N	318.373	1.966	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cc(C)[nH]c2C)cc1	914749405	ANYSFKBJTKTDHS-UHFFFAOYSA-N	301.346	1.780	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2cc(Br)c[nH]2)CCN1C	741463010	ZKMOGMVLGIJVNB-MRVPVSSYSA-N	313.199	1.977	50	20	DDGD	
COc1cc(F)c(C=NNC(=O)N2CCN(C)CC2)cc1OC	844592353	FCUNZVCYWOIOOV-UHFFFAOYSA-N	324.356	1.134	50	20	DDGD	
COCCN(C)c1ccc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)cn1	842559604	JGWPJOCABUMREE-TZMCWYRMSA-N	320.393	1.039	50	20	DDGD	
Cc1cn(C)nc1C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	840447034	ZGMNFUZSCKKRFJ-UHFFFAOYSA-N	316.365	1.261	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC1CCC(C)(O)CC1	749595405	HXTQLTQKMORDLQ-UHFFFAOYSA-N	321.377	1.333	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CN1C(=O)NC2(CCCC2)C1=O	848080090	CFEGNDCJMRWLBB-UHFFFAOYSA-N	322.192	1.113	50	20	DDGD	
NCC(F)(F)CNC(=O)NNc1ccc(OC(F)F)cc1	841970946	IRJOPEIKWPEQOJ-UHFFFAOYSA-N	310.251	1.508	50	20	DDGD	
COC(=O)NC1CCN(C(=O)[C@]2(C)C[C@H]2Br)CC1	912761165	AGCNIJQFJNSENT-BXKDBHETSA-N	319.199	1.507	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1c(C)ccc2ncccc12	748640035	MFYFFTLTQPRJSP-JTQLQIEISA-N	321.402	1.899	50	20	DDGD	
C[C@H](C(=O)NNc1ncccc1[N+](=O)[O-])C(=O)OC(C)(C)C	840865151	AIGAAPNGPUBLMB-MRVPVSSYSA-N	310.310	1.411	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C[C@H](C)n2ccnc2)cc1	846627942	KXRDZWRHMJMJBM-ZDUSSCGKSA-N	315.377	1.402	50	20	DDGD	
C[C@@]1(C(=O)NNc2cc(O)nc3ncccc23)CCCCO1	913987803	KMRDDAGWZDIHDC-HNNXBMFYSA-N	302.334	1.738	50	20	DDGD	
O=C(NNc1cccc(Cl)c1Cl)[C@H]1CCS(=O)(=O)N1	846254806	MIQDKKJBSFEXLS-MRVPVSSYSA-N	324.189	1.128	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H](C)CCC(C)(C)C	748633741	SCWLOUHISARJSO-RYUDHWBXSA-N	317.430	1.583	50	20	DDGD	
O=C(CCCC[C@H]1CCSS1)NC1CC(CO)(CO)C1	913311224	RJJPCCDWBGFXBP-LBPRGKRZSA-N	319.492	1.950	50	20	DDGD	
CNC(=O)c1ccc(C(=O)NNc2ccc(F)cc2C)cn1	748571581	IMDBPQOZXHOTSJ-UHFFFAOYSA-N	302.309	1.646	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@@H]1CC[C@@H]2CNC[C@@H]2C1	842014056	CEGUVOMSBFMIRU-KXUCPTDWSA-N	310.789	1.144	50	20	DDGD	
CC(=O)N1CCC(NC(=O)NNc2ccc(Cl)nc2)CC1	745339570	MAYMEWOWTAPKOX-UHFFFAOYSA-N	311.773	1.372	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCCOc1ccccc1F	916222604	HEVNIOIHCODZSQ-UHFFFAOYSA-N	311.357	1.971	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCCNc1ccc(C#N)cn1	916520187	CZMRGASJGVLTJR-UHFFFAOYSA-N	320.353	1.104	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1occc1Br	842556063	RTZDIPBNSOMFDI-SFYZADRCSA-N	301.140	1.917	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)c2ncccn2)s1	841351037	ZPGWJGPDMPZFBI-UHFFFAOYSA-N	304.375	1.910	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1ccc(Cl)nn1)CC(C)C	841591106	JEMPMDNWLPUPLR-SECBINFHSA-N	301.778	1.817	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNc2ncccc2C(F)(F)F)c1	740095842	NMFRHAZHYWXGBX-UHFFFAOYSA-N	324.262	1.956	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CCCc2ccccc2)on1	845422153	PREWAWYOIMGUKE-UHFFFAOYSA-N	301.346	1.696	50	20	DDGD	
CC(C)(C)OC(=O)NC1(CC(=O)NNc2cccnn2)CCC1	746892120	MUKJCTCHENJMHQ-UHFFFAOYSA-N	321.381	1.757	50	20	DDGD	
CC(C)[C@H]1CCCC1=NNC(=O)CNC(=O)c1cccnc1	747765599	DTBWBZDPXUSRHY-CYBMUJFWSA-N	302.378	1.740	50	20	DDGD	
CC(C)Cn1nccc1C(=O)NNC(=O)c1cccc(C#N)c1	843544616	WJWFINKYZYHIHT-UHFFFAOYSA-N	311.345	1.486	50	20	DDGD	
Cc1ccc2[nH]c(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)cc2c1C	843980932	YJPLDWASXSKQLD-NEPJUHHUSA-N	315.373	1.971	50	20	DDGD	
CN(C)c1ccc(CCC(=O)NNC(=O)NCC2CC2)cc1	920859095	KHMZATAMVXILRP-UHFFFAOYSA-N	304.394	1.426	50	20	DDGD	
CCCC(CCC)C(=O)NNc1nc(O)c2cnn(C)c2n1	753584041	OHYBRZMQLICQCV-UHFFFAOYSA-N	306.370	1.728	50	20	DDGD	
O=C(C[C@@H](O)c1ccc(Cl)cc1)NNC(=O)CC(F)(F)F	855000374	HEDLZPSXZNNKMB-SECBINFHSA-N	324.686	1.863	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC(Nc2ccccn2)CC1	927089384	BOCCUMPPNWMKMD-OUKQBFOZSA-N	300.362	1.928	50	20	DDGD	
O=C(Cc1cncc(O)c1)NNc1cc(C(F)(F)F)ccn1	857514332	ZVLKLLDQUQQXFK-UHFFFAOYSA-N	312.251	1.887	50	20	DDGD	
CO[C@@H](C)c1nc(CNC(=O)NNC(=O)C2CCC2)cs1	752390041	OCPCNHXIOVGFPL-QMMMGPOBSA-N	312.395	1.481	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1occ2c1CCC2	854286050	RIHAZDXYHFMDGK-UHFFFAOYSA-N	311.407	1.256	50	20	DDGD	
COc1ccc2c(c1)[C@H](C(=O)NNC(=O)c1cc[nH]n1)CCC2	855355317	WEBHJFDVERSGTK-GFCCVEGCSA-N	314.345	1.299	50	20	DDGD	
N#CSCCCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1	854363319	VRQXWKHVDMOSQN-LBPRGKRZSA-N	303.387	1.760	50	20	DDGD	
COC(=O)N1CCC(C(=O)NNC(=O)OC(C)(C)C)CC1	854163635	BSGOLPYQHCLFSG-UHFFFAOYSA-N	301.343	1.021	50	20	DDGD	
C#CC[C@H](CCOC)NC(=O)NNc1ncnc2ccsc12	859025350	PLQSXBOLDKYUHH-SNVBAGLBSA-N	319.390	1.746	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1nn(-c2ccccc2)cc1O)C1CC1	853276902	JFEHNLIGMCNECW-AWEZNQCLSA-N	314.345	1.719	50	20	DDGD	
CC[C@H](CNC(=O)NNc1ccc([N+](=O)[O-])cc1F)OC	854082834	SSIZPQAUZKTPDR-SECBINFHSA-N	300.290	1.785	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1cccc(OCCF)c1	757680035	SPMXRFMATCOREE-UHFFFAOYSA-N	319.296	1.291	50	20	DDGD	
Cc1c(CCC(=O)NC[C@@]2(C)C[C@H]2Br)cnn1C	857394871	PEJMCEFJQVTUPJ-DGCLKSJQSA-N	314.227	1.951	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)N[C@@H]1C[C@H]2CCCCN2C1=O	852379438	PXTREBLOTYULFZ-GHMZBOCLSA-N	323.784	1.515	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccnn1CCc1ccccc1	857710629	GNXODRIUWLEDMG-UHFFFAOYSA-N	301.350	1.042	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C=NNC(=O)[C@H]1CCOC1	853339133	XLCHIGHPBVEYAI-SGMGOOAPSA-N	306.366	1.026	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@@H]2CC(C)=NO2)cc1	854188765	JZFNNBDWGKMERQ-LBPRGKRZSA-N	322.390	1.568	50	20	DDGD	
C[C@]1(CNC(=O)N2CCCC[C@H]2CN)C[C@H]1Br	857105527	MUOKMZLTTJKZLF-HOSYDEDBSA-N	304.232	1.683	50	20	DDGD	
CC(=O)NCCCCCC(=O)NC[C@@]1(C)C[C@H]1Br	857688154	DJKLGBZUPSWVNF-DGCLKSJQSA-N	319.243	1.973	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C[C@@H](C)n2ccnc2)cc1	920747908	YDEWBELKMDVHGG-CYBMUJFWSA-N	316.361	1.369	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1	759091418	VDICQAPIOQGOCR-UHFFFAOYSA-N	315.354	1.372	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1ccc(O)c(OC)c1	757465359	MUXRFRQHFXVTSR-LLVKDONJSA-N	310.350	1.293	50	20	DDGD	
CC(C)(C)N1CC[C@H](NC(=O)NNc2ncc(F)cc2F)C1	854313051	KLLPNLGHWAMYIO-JTQLQIEISA-N	313.352	1.859	50	20	DDGD	
CO[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc(C#N)cc2)C1(C)C	753426082	SFVQXFSTOBZNSR-QWHCGFSZSA-N	316.361	1.316	50	20	DDGD	
O=C(CCc1nc[nH]n1)NNC(=O)Cc1cccc2ccccc12	750601093	LXTZRNZIUWHCCK-UHFFFAOYSA-N	323.356	1.281	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2ccccc2C#N)cc1	755598078	CBTHFECFMWKIQW-UHFFFAOYSA-N	306.325	1.956	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC1(C(F)(F)F)CCOCC1	932297214	YXXHJZGKXYCLTD-UHFFFAOYSA-N	311.304	1.474	50	20	DDGD	
C[C@H](C(=O)NNc1nccnc1C1CCC1)[C@H]1CCC(=O)N1	861703090	FTFICDNPXASPBU-GXSJLCMTSA-N	303.366	1.102	50	20	DDGD	
Cc1nocc1S(=O)(=O)NC[C@]1(C)C[C@@H]1Br	867549894	UYHKJTBOLCUDGL-IUCAKERBSA-N	309.185	1.435	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@](C)(O)Cc2ccccc2)c1	862476259	NVONGRPCYZUHBW-MRXNPFEDSA-N	318.398	1.811	50	20	DDGD	
CN1CC[C@@H](N(C)C(=O)[C@H](Br)C(C)(C)C)C1=O	768177425	SKYCFYUJGXXXSA-BDAKNGLRSA-N	305.216	1.485	50	20	DDGD	
CN(C)CCn1cc(C(=O)NNc2cccnc2Cl)cn1	868861493	LDRNHPFPFMEDET-UHFFFAOYSA-N	308.773	1.250	50	20	DDGD	
Cc1cc(C)n(CCCC(=O)NNC(=O)NCC(F)(F)F)n1	935802289	FMWAAJISNFDMEW-UHFFFAOYSA-N	321.303	1.173	50	20	DDGD	
COc1cc2c(cc1NC(=O)NNC(=O)C(C)C)NC(=O)CC2	767955493	ZAFJDELYLVZLCT-UHFFFAOYSA-N	320.349	1.389	50	20	DDGD	
C[C@H](CC(=O)NNc1ncc(F)cn1)C(=O)c1ccccc1	760911261	CRPVNATUNJECGZ-SNVBAGLBSA-N	302.309	1.968	50	20	DDGD	
CC(C)[C@H]1CCCCC1=NNC(=O)[C@H](C)NS(C)(=O)=O	764687944	SMURJUWJNPDMEN-WDEREUQCSA-N	303.428	1.243	50	20	DDGD	
Cc1ccccc1NNC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1	863855848	UMPVKFQLBAUDME-GFCCVEGCSA-N	313.361	1.225	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2cnc3[nH]cnc3c2)c1	763258441	HXPNDZFNBGNIAX-UHFFFAOYSA-N	324.344	1.099	50	20	DDGD	
Cc1ccnn1-c1ccc(C(=O)NNc2ncc(F)cn2)cc1	760921247	UIILLMIAFSQLJS-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
Cn1c(C(=O)NNc2nccc3sccc23)cccc1=O	764271878	WBIRDTNZJRNLQB-UHFFFAOYSA-N	300.343	1.752	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2nc(Cl)sc2C)n[nH]1	869016629	NGMOQLAVQACYCQ-UHFFFAOYSA-N	313.770	1.140	50	20	DDGD	
CC(CCCC(C)C)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	764684023	VVSXMSDZITYUPD-GFCCVEGCSA-N	303.428	1.675	50	20	DDGD	
N#Cc1cc(F)ccc1CS(=O)(=O)NCC(Cl)Cl	867469252	BDTNMCNPRSOTPC-UHFFFAOYSA-N	311.165	1.920	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cc(Cl)cc2cccnc12	763443305	HIKXWWMEHYOVCZ-UHFFFAOYSA-N	320.736	1.384	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCC(C(F)(F)F)CC1	766016348	TWQRPTBJMSSHJZ-UHFFFAOYSA-N	305.300	1.834	50	20	DDGD	
CC1(C)[C@]2(C(=O)NNc3ncccc3F)CC[C@@]1(C)C(=O)O2	861661918	KVNGQPYGPDEKSZ-LSDHHAIUSA-N	307.325	1.786	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cccc(-n2cccn2)c1	1116076303	AEAGPJHYXNLZJJ-UHFFFAOYSA-N	303.391	1.390	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1ccccc1N(C)C	769586754	SHSQGHQKQNFMPE-UHFFFAOYSA-N	318.421	1.898	50	20	DDGD	
C=CCOc1cccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)c1	761070560	BVNTWUMGYPXPKU-UHFFFAOYSA-N	319.361	1.383	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1NC(=O)NNC(=O)[C@@H]1CCCCO1	1117835135	BWWBTOQQPKBUKR-JTQLQIEISA-N	323.397	1.439	50	20	DDGD	
COc1cc(CCC(=O)NNc2ccn(C)n2)cc(OC)c1	1116853026	XVGWSUCAVWOKGT-UHFFFAOYSA-N	304.350	1.513	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1cscc1Cl	873791923	VGXUKKFCBQGOKF-UHFFFAOYSA-N	303.771	1.534	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C2(N(C)C)CC2)c(C)c1	873761287	XAHAHQAVUUVGRB-UHFFFAOYSA-N	306.435	1.715	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1cccc(OCC(F)F)c1	875212589	ZJALKVVUFXQGLN-UHFFFAOYSA-N	317.292	1.743	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NNc1nccnc1Cl	878856561	GTOSEXRBRHYQTP-XVKPBYJWSA-N	306.757	1.662	50	20	DDGD	
O=C(CNc1ccccc1)NN=Cc1ccc(O)c(C(=O)O)c1	777420105	HIBFUOQHWJLPRR-UHFFFAOYSA-N	313.313	1.653	50	20	DDGD	
CON=CC(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1	774331382	ZISKBXZPLDPTHT-NSHDSACASA-N	315.329	1.387	50	20	DDGD	
CCc1cc(C(=O)NNc2ccccc2C(=O)OC)nn1C	1116528203	SPHQBFQGOIJWJP-UHFFFAOYSA-N	302.334	1.526	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc(CN2CCOCC2)o1	878717310	ZVSKLXFDTXSPRB-UHFFFAOYSA-N	323.393	1.309	50	20	DDGD	
CC(C)NC(=O)NNC(=O)C1=C(c2ccccc2)SCCO1	874247315	PPOSQVFFHPEVHP-UHFFFAOYSA-N	321.402	1.857	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N(C)C)c(F)c1	873803692	POHHFYBEWJQDRW-SECBINFHSA-N	324.356	1.024	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)N[C@H](c1cccs1)C1CC1	875036566	FDSGGZYHQPPRCE-NSHDSACASA-N	305.363	1.567	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2ccc3c(c2)CCC(=O)N3C)n[nH]1	774396380	DRGAYLPVPIOBEY-UHFFFAOYSA-N	311.345	1.391	50	20	DDGD	
C[C@H]1CN(C[C@@H](C)C(=O)NN=Cc2cnsc2)C[C@@H](C)O1	872336844	NKFUPBWDOCAHDC-UTUOFQBUSA-N	310.423	1.339	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1ccc(C(=O)O)c(F)c1	776767957	YJVASUNURHHSDW-UHFFFAOYSA-N	309.297	1.290	50	20	DDGD	
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CC=C(C#N)CC1	779586429	VBNZPCSCQDZUSN-QGZVFWFLSA-N	311.385	1.459	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)Oc1ccc(C)cc1	771979756	XPWAJXAGJOWZBA-NEPJUHHUSA-N	322.361	1.251	50	20	DDGD	
CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NNc2ccc(F)cc2)O1	775459651	FHWVIQSIYRRASH-STQMWFEESA-N	324.356	1.088	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc(F)c2cccnc12	1120687175	LGXGJVIVMXLMKI-UHFFFAOYSA-N	317.320	1.562	50	20	DDGD	
C[C@@H](N1CCN(S(=O)(=O)CCCCl)CC1)C(F)(F)F	881966537	DYVVQMWVXSPGRE-SECBINFHSA-N	322.780	1.514	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCC(NC3CCC3)CC2)cn1	889825002	YYZFIDQCADYPQF-NTEUORMPSA-N	313.405	1.460	50	20	DDGD	
CC(C)C[C@H]1CN(C)CCN1C(=O)/C(C#N)=C\c1cnn(C)c1	886600652	YZWJSFDEQBTOBT-YMDFIQGPSA-N	315.421	1.516	50	20	DDGD	
N#Cc1ccc(NNC(=O)NC2CCN(CC(F)F)CC2)nc1	888008588	CEFBXDXRXGMVSU-UHFFFAOYSA-N	324.335	1.309	50	20	DDGD	
Cn1cc(C=NNC(=O)C(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1	782237480	KXRJGQBYODJENT-UHFFFAOYSA-N	323.259	1.711	50	20	DDGD	
C[C@H](NS(=O)(=O)CCCCl)c1nc(C(F)(F)F)no1	882275891	DVEAKDMUAZOZDS-YFKPBYRVSA-N	321.708	1.698	50	20	DDGD	
O=C(NNc1ncncc1Cl)C(=O)Nc1ccc(F)cc1	782165167	DTAQTHHJGSGOFN-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNc2nccnc2Cl)c1	784781141	YKQYMVLQYUWLNY-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
COc1cc(NNC(=O)C(=O)Nc2cccnc2)ccc1Cl	789798733	QXUFFEVCLJFIRG-UHFFFAOYSA-N	320.736	1.825	50	20	DDGD	
CCC(Cc1ccc(OC)c(OC)c1)=NNC(=O)C(C)(C)O	785459726	AGZDOCPSVWHGMU-UHFFFAOYSA-N	308.378	1.899	50	20	DDGD	
NC[C@H]1CC[C@H](NC(=O)NNC(=O)c2cccc(Cl)c2)CC1	892452363	NRZKDFKTPGOLSM-MJHDQNEOSA-N	324.812	1.802	50	20	DDGD	
CO[C@H]1CCC[C@H](CC(=O)NNc2ccnc(N(C)C)n2)C1	795120624	LAENMDVVNAZIGY-RYUDHWBXSA-N	307.398	1.581	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CC(=O)N(C2CC2)C1	791191359	LUKBCQOSVFUQIF-SNVBAGLBSA-N	303.200	1.587	50	20	DDGD	
CO[C@H]1CCC[C@H]1CNC(=O)NNc1nc2ccccn2n1	790449400	AXWNTABJSJRQPV-QWRGUYRKSA-N	304.354	1.171	50	20	DDGD	
Cc1c[nH]nc1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	799408556	QJCIQXDOEIMVAC-VIFPVBQESA-N	306.297	1.086	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1[nH]c(C)c(C(C)=O)c1CCC	798306364	FEGXDUVNRJXAGR-UHFFFAOYSA-N	322.434	1.773	50	20	DDGD	
Cc1cc(C)cc(C(=O)NCC(=O)NNc2ncccc2C)c1	791224571	WCABQSPLFJZYQZ-UHFFFAOYSA-N	312.373	1.880	50	20	DDGD	
CC[C@@H]1C[C@H]1NC(=O)NNC(=O)COc1ccccc1OC	798048401	XKYOUNDYKMQZNE-GHMZBOCLSA-N	307.350	1.203	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccc(-n2cccn2)nc1	791239106	BQKVIZAZPCSKSK-UHFFFAOYSA-N	320.316	1.067	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNC(=O)c1cccc(C#N)c1	790586709	KQKBBINJEVYUEY-UHFFFAOYSA-N	324.340	1.735	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNC(=O)NCC(F)(F)F)C1(C)C	798314646	VLCAZNKPAHWGFZ-BDAKNGLRSA-N	323.315	1.521	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2cccc3c2OCCCO3)CC1	790175305	FHNVIMUETMMTDW-UHFFFAOYSA-N	318.377	1.139	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)c1ccc(OC)cc1)C(C)C	1319244489	PDSYEGMSPJFVLY-ZDUSSCGKSA-N	309.366	1.310	50	20	DDGD	
COc1cc(C(=O)NNC(=S)NC(C)C)c2ccccc2n1	1327720473	RCCQWXMPTMWWPD-UHFFFAOYSA-N	318.402	1.761	50	20	DDGD	
COc1cc(F)cc(NC(=O)NNc2nccc(OC)n2)c1	1320409602	WEDGPEQPJXDUST-UHFFFAOYSA-N	307.285	1.782	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1ccc2nonc2c1	1326703959	DNKGABXBGLWWCC-UHFFFAOYSA-N	321.296	1.779	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H](O)c1ccc(Cl)cc1	1324026938	LFDLHVAXQAZWNR-JTQLQIEISA-N	301.799	1.277	50	20	DDGD	
COc1cc(C(C)=NNC(=O)c2n[nH]c3c2CCCC3)ccn1	1321025510	PVLAXZAXVFRSEC-UHFFFAOYSA-N	313.361	1.846	50	20	DDGD	
Cc1conc1NC(=O)C(=O)NNC(=O)c1ccccc1Cl	1321139996	SMGTXLAIAUVVMP-UHFFFAOYSA-N	322.708	1.036	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)Nc1ccc2c(c1)OCO2	1322059102	RHPZPGDGAXZTIT-UHFFFAOYSA-N	322.390	1.716	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2cccc(F)n2)c(Cl)n1	1336396665	PGOQTWONEVMTQH-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
Nc1cnnc(NNC(=O)NCCCCn2ccnc2)c1Cl	1333464330	AVMZVHJTTNOSFW-UHFFFAOYSA-N	324.776	1.015	50	20	DDGD	
C#CCSCCNC(=O)NNC(=O)c1ccc(OC)cc1	1339379740	XRGUPYNSDNFQCV-UHFFFAOYSA-N	307.375	1.006	50	20	DDGD	
CN(CC(F)F)c1nnnn1C[C@@]1(C)C[C@H]1Br	1334618810	YFTDUHJJTMSBQV-HZGVNTEJSA-N	310.146	1.548	50	20	DDGD	
COC(=O)C(=O)NN=Cc1c(C)nn(-c2ccccc2C)c1C	1333643792	SROOYUJRDLONAM-UHFFFAOYSA-N	314.345	1.421	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)N[C@H]2CCC[C@@H]2CCO)nn1	1338502126	UJTGSZJXOKOBKS-NEPJUHHUSA-N	321.425	1.951	50	20	DDGD	
CC[C@@H](F)C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	1336763781	RVSJMWIEUKNKGT-SECBINFHSA-N	314.313	1.222	50	20	DDGD	
CN(Cc1ccn(C)n1)C(=O)NC[C@]1(C)C[C@H]1Br	1341859845	QPOKSQYTGGICCA-PWSUYJOCSA-N	315.215	1.735	50	20	DDGD	
C[C@@]1(COC(=O)CS(=O)(=O)C2CC2)C[C@H]1Br	1345266192	OHUWDNSBZMPNGH-SCZZXKLOSA-N	311.197	1.280	50	20	DDGD	
COCc1nocc1C(=O)NNC(=O)CNc1ccc(C)cc1	1349469354	MTNBNXDUEFHYDI-UHFFFAOYSA-N	318.333	1.003	50	20	DDGD	
O=C(NCCN1C(=O)CCCC1=O)C1CCC(Cl)CC1	1444505613	PYGCATCPPYZDKA-UHFFFAOYSA-N	300.786	1.439	50	20	DDGD	
N#C[C@@]1(C(=O)NNc2ccc(CC(=O)O)cc2)CCCOC1	1601050738	IVDZDYWTIHDASU-HNNXBMFYSA-N	303.318	1.077	50	20	DDGD	
Cc1c(NNC(=O)NCc2cccn2C)cccc1C(=O)O	1600053513	IJGLWZAUEQVLIR-UHFFFAOYSA-N	302.334	1.858	50	20	DDGD	
Cc1cccnc1C(=O)NN[C@H](Cc1ccc(F)cc1)C(=O)O	1600589752	IKYRGWVQANAORW-CYBMUJFWSA-N	317.320	1.459	50	20	DDGD	
O=C(Cc1ccc2n[nH]cc2c1)NNc1ccccc1C(=O)O	1608363842	HKAUQNBWDOEHRL-UHFFFAOYSA-N	310.313	1.947	50	20	DDGD	
Cc1sc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)nc1O	1606182038	DMMVJIBFVCCRFK-UHFFFAOYSA-N	317.334	1.094	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(-c2nn[nH]n2)cn1)c1ccccc1	1603631794	XVBKDJJNCLHJES-SNVBAGLBSA-N	324.348	1.649	50	20	DDGD	
Nc1ccc([N+](=O)[O-])cc1C(=O)NNc1cccc(C(=O)O)c1	1601216503	DHAGZLKFVUJCEY-UHFFFAOYSA-N	316.273	1.632	50	20	DDGD	
C[C@@H]1CC(NC(=O)NNc2ccc(CC(=O)O)cc2)C[C@@H](C)O1	1604675335	DSUHUQQOBJRCRU-GHMZBOCLSA-N	321.377	1.896	50	20	DDGD	
C[C@@H]1CCNC[C@@H]1NC(=O)NNc1ccc(F)c(C(=O)O)c1	1609862075	HKQWRPZWYWWXOW-PELKAZGASA-N	310.329	1.148	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)c(F)c1)c1cnc2c[nH]nc2c1	1608481506	OKTAFPYPPPIYBF-UHFFFAOYSA-N	315.264	1.552	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=C1CCC[C@@H](C(=O)O)C1	1601372378	FJOZDHZZRRWXKG-LLVKDONJSA-N	314.345	1.624	50	20	DDGD	
O=C(COc1ccsn1)NNc1ccc(F)c(C(=O)O)c1	1601345586	PYDUHSJVTQPUTH-UHFFFAOYSA-N	311.294	1.503	50	20	DDGD	
O=C(O)c1ccc(CNS(=O)(=O)CCCCCl)nc1	1602349973	VLKCKVPAQMMVEQ-UHFFFAOYSA-N	306.771	1.218	50	20	DDGD	
C[C@H](Oc1ccccn1)C(=O)NNc1cccc(C(=O)O)c1F	1604449927	YJZUZAIBVVTPJV-VIFPVBQESA-N	319.292	1.830	50	20	DDGD	
O=C(NNc1ncccn1)Nc1cc(C(=O)O)c2cc[nH]c2c1	1610699447	AVSQNIZHLFKQHS-UHFFFAOYSA-N	312.289	1.805	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@H](F)[C@H]1CCNC1)c1ccccc1	1575092635	SIJZDGIPFQQUQT-AAEUAGOBSA-N	307.369	1.059	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2ccc(N)cn2)c(C)c1	1579723764	KZEWJKNORLFZLA-UHFFFAOYSA-N	315.402	1.912	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)C[C@@H](N)C(F)F)c1	1578420322	GRIUUNPTHODDFK-SNVBAGLBSA-N	315.324	1.206	50	20	DDGD	
CNCCOc1cccc(C(=O)NN[C@@H](C)C(F)(F)F)c1	1578712693	NKQVNZVZKHBFQO-VIFPVBQESA-N	305.300	1.470	50	20	DDGD	
CN[C@@H](CC(C)C)C(=O)NNC(=O)COc1cc(C)cc(C)c1	1578754568	RBCULGSJOWNJDJ-HNNXBMFYSA-N	321.421	1.464	50	20	DDGD	
CC1(C)[C@H](N)C[C@H]1C(=O)NNC(=O)c1ccc(Cl)cc1O	1576372155	OYWBDHRTFPSLOO-GXSJLCMTSA-N	311.769	1.180	50	20	DDGD	
CC(C)(C)C[C@@H](O)CC(=O)NNc1ccc(-c2nn[nH]n2)cc1	1589119200	RFQIPIKHYYGLHB-LBPRGKRZSA-N	318.381	1.497	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2ccccn2)C1	1842387187	LDKILCMJQSGPDD-GFCCVEGCSA-N	321.808	1.916	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(C(=O)O)c(Cl)c2)nn1	1599484116	QUVNFNSXXQYJAZ-UHFFFAOYSA-N	322.708	1.594	50	20	DDGD	
O=C(NN=Cc1cc(C(=O)O)c(Cl)s1)c1cccnn1	1776103405	HDKAVQSDZPNYMS-UHFFFAOYSA-N	310.722	1.654	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=Cc2ccc(C(=O)O)[nH]2)c1	1776095396	WNFUFGQEJNVASP-UHFFFAOYSA-N	301.258	1.175	50	20	DDGD	
O=C(NN=Cc1c[nH]ccc1=O)Nc1ccc(C(=O)O)cc1	1776046367	MWBMZMHPBABJPL-UHFFFAOYSA-N	300.274	1.229	50	20	DDGD	
CC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC#N	1795858443	RLJLRIKSFPSDLF-RNJOBUHISA-N	311.813	1.946	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)Cc2ccoc2)c(C)c1	161623497	XJOZKMVPZPNELD-UHFFFAOYSA-N	301.346	1.698	50	20	DDGD	
CN1CCO[C@H](C(=O)NNc2ccc(Cl)cc2Cl)C1	151928455	OBCBDBHSXPVOLB-NSHDSACASA-N	304.177	1.767	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ccccc1-n1cccn1	153355890	XOKORNKADGBPDG-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1	155113790	KDVONHJPQBWGPI-CYBMUJFWSA-N	312.373	1.792	50	20	DDGD	
CCCC(=O)NC1CCN(S(=O)(=O)CCCCCl)CC1	228326409	KJLYSNLXQYEVPR-UHFFFAOYSA-N	324.874	1.716	50	20	DDGD	
O=C(C[C@@H]1C=CCC1)NNC(=O)c1ccc2c(c1)OCCO2	53625961	QESYCVSFBBESDO-LLVKDONJSA-N	302.330	1.575	50	20	DDGD	
CO[C@@H](C)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	103523092	GHGAJHNHZZWLIE-ZETCQYMHSA-N	308.306	1.161	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Cn1c(C)c(C)sc1=O	55140809	XYVOANUHMXFZGR-UHFFFAOYSA-N	319.386	1.296	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(-c2cccs2)n[nH]1	119940119	CVYGDVUEARFQFU-UHFFFAOYSA-N	307.404	1.433	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1ccc[nH]1)NC(=O)C1CCCCC1	171354095	HMNIPMHBSAOLPG-LLVKDONJSA-N	320.393	1.251	50	20	DDGD	
CCC1CCC(CNC(=O)NNC(=O)c2cnn(C)c2)CC1	117967598	YAFJWPBHARDOSY-UHFFFAOYSA-N	307.398	1.581	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNc2cccc3cnccc23)C1	178522589	JWWHIMZTSDPABT-ZDUSSCGKSA-N	312.373	1.936	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCCc2ccccc2)n(C)n1	68051783	DMTADIPDUKWIJM-UHFFFAOYSA-N	300.362	1.512	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)Cc2cccnc2)cc1	171511972	YYZZOXKBHLHQOX-UHFFFAOYSA-N	315.398	1.872	50	20	DDGD	
C=CCNC(=O)COC(=O)/C(C#N)=C/c1cccc(OC)c1	21748105	UVSCWOASHUMCND-MDWZMJQESA-N	300.314	1.448	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2ccc(C)cc2)n1	175161253	GLRZADWMKSEMRS-UHFFFAOYSA-N	301.350	1.928	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCCCCC#N)c1	170886538	PTDWUQYYLSHPKC-UHFFFAOYSA-N	303.366	1.390	50	20	DDGD	
CC(C)Oc1cncc(C(=O)NNc2ncnc3nc[nH]c23)c1	126939021	FQHVHGODFRTODM-UHFFFAOYSA-N	313.321	1.292	50	20	DDGD	
CCNC(=O)NNC(=O)c1c(C)nn(-c2ccccc2)c1Cl	65190752	KONPXCQESTYNKI-UHFFFAOYSA-N	321.768	1.798	50	20	DDGD	
CN(C)C(=O)CCCC(=O)NNC(=O)CCc1ccccc1	174448487	CIDWDYNVSCWFQN-UHFFFAOYSA-N	305.378	1.025	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2[C@H]3CCO[C@@H]3C23CCC3)o1	123262078	QOGJUMQLHMROCO-WXHSDQCUSA-N	319.361	1.490	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1cnccn1	30814695	VSVDQUTZPIXPHO-UHFFFAOYSA-N	315.402	1.979	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNC(=O)c1cccc(N(C)C)c1	182186070	HJOWPMJNWIAZPD-GFCCVEGCSA-N	307.394	1.576	50	20	DDGD	
COc1ccc(F)cc1C(=O)NNC(=O)NCC(F)(F)F	124629302	MPMFCFDYWAWFML-UHFFFAOYSA-N	309.219	1.341	50	20	DDGD	
C[C@@H](Sc1nnnn1C1CC1)C(=O)NNc1ccnc(F)c1	182447748	GEAYEYURZHLHFW-SSDOTTSWSA-N	323.357	1.166	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)NCc2ccco2)c(C)o1	182787765	WWSQUJQDISWBMC-UHFFFAOYSA-N	313.335	1.182	50	20	DDGD	
O=C(CSCC(F)(F)F)NNc1nccnc1Cl	121040419	MSMKPZHLNROIIE-UHFFFAOYSA-N	300.693	1.869	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(-n2cccn2)cc1	183507918	GGIRRJBMLVNPJN-UHFFFAOYSA-N	303.322	1.062	50	20	DDGD	
COC(=O)NNC(=O)[C@H](C)Oc1ccc(C(F)(F)F)cc1	189913428	BRRKPHFPNQCENM-ZETCQYMHSA-N	306.240	1.860	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)Cc1ccoc1	187542329	HKDMAIQJKTZZCM-UHFFFAOYSA-N	324.358	1.378	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCC2(CN(C)C)CCCC2)n1	185195017	ICRHLJHJSJWQHV-UHFFFAOYSA-N	320.441	1.842	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NNc2cnccn2)cc1	186994827	FJJJKAHJNZKGMJ-UKTHLTGXSA-N	309.329	1.926	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2)on1)C1=CCCCO1	72834624	ZHJPVBJUUIIESJ-UHFFFAOYSA-N	313.313	1.797	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1ccncc1)c1c(F)cccc1F	134807587	CYFJQCXQJCJNNK-SNVBAGLBSA-N	319.311	1.853	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@@H]1CCCN(Cc2ccccc2)C1	194953797	DWDXEQPSWPMYKL-CQSZACIVSA-N	304.394	1.201	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)CCc1ccccc1)[C@@H]1CCCO1	132069665	DCPDYBIVYLEMOD-GJZGRUSLSA-N	319.405	1.907	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCC(=O)N1CCCc2ccccc21	131446123	VPAPRFPVAKMNNP-OWBHPGMISA-N	313.357	1.526	50	20	DDGD	
CN(C)C(=O)NNC(=O)CCCc1ncc(-c2ccccc2)o1	194918238	DLMRMVAEUWMTRQ-UHFFFAOYSA-N	316.361	1.967	50	20	DDGD	
C[C@@H]1CCC[C@H](NCC(=O)NNC(=O)c2ccccc2)[C@@H]1C	194032264	QJPRGEPHDZPLEE-NFAWXSAZSA-N	303.406	1.862	50	20	DDGD	
O=C(CCc1nc(C2CCCC2)no1)NNC(=O)NCC1CC1	134963689	ZFBPLVFGCBWGRO-UHFFFAOYSA-N	321.381	1.400	50	20	DDGD	
C[C@@]12CCC(=O)N1[C@H](C(=O)NNc1ccc(F)cc1)CS2	45970526	JBEXRDPXSSMTRE-SMDDNHRTSA-N	309.366	1.723	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2cc(C)n[nH]2)ccc1Cl	194415075	UQWBKXMGGBXURL-UHFFFAOYSA-N	323.740	1.847	50	20	DDGD	
Cc1nn(C)c2ncc(C(=O)NNC(=O)OC(C)(C)C)cc12	192486451	WIQPNSRWDAKIKL-UHFFFAOYSA-N	305.338	1.446	50	20	DDGD	
COc1ccc(C=NNC(=O)c2ccccn2)c(OC)c1OC	254630036	OMPKOQYOYYJVIO-UHFFFAOYSA-N	315.329	1.871	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)N[C@@H](CC)COC	265783474	KWTYBBXHZZUHLS-ZDUSSCGKSA-N	323.393	1.383	50	20	DDGD	
O=C(C[C@H]1COC(=O)C1)NNc1cccc(Br)c1	269611606	MHBRLLBMEWKEIW-MRVPVSSYSA-N	313.151	1.845	50	20	DDGD	
COCCOCCC(=O)NNC(=O)c1cccc2ncccc12	264438629	NSVKHRBKBRZPCM-UHFFFAOYSA-N	317.345	1.049	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	269041369	XANIOJBVRBCFQT-FMKPAKJESA-N	301.390	1.949	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc(C(=O)O)cc1C	268091390	AVRVRQFVLAMHGD-MRVPVSSYSA-N	314.363	1.049	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H](C)NC(=O)C2CCCC2)c1	268337817	ZIAYWDXAZPEHSA-JTQLQIEISA-N	323.368	1.972	50	20	DDGD	
Cc1c(NNC(=O)NCCNC(=O)C(C)C)cccc1[N+](=O)[O-]	263996299	XOGBWEHBUHHDFA-UHFFFAOYSA-N	323.353	1.302	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NNC(=O)[C@@H]1CCCCO1	269434404	HWLRXHYEUZPQLV-AWEZNQCLSA-N	316.361	1.061	50	20	DDGD	
CN(C)Cc1ccsc1C(=O)NNC(=O)NC1CCCC1	268068439	BNVLIVUGUIBLLA-UHFFFAOYSA-N	310.423	1.696	50	20	DDGD	
CC(C)(C)[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cccnc1	277000039	UHFOZEBQIFQJOL-RYUDHWBXSA-N	306.366	1.686	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cc([N+](=O)[O-])c2nsnc2c1	272628666	ZOEWHAQWXQKPKW-UHFFFAOYSA-N	323.334	1.407	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)[C@H]1CCCCS1	272962633	LXMNVQAPRMCUHY-GFCCVEGCSA-N	312.366	1.638	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@@H](C)CNC(=O)OC(C)(C)C	277035039	GRVLZGIXHSUEFX-NSHDSACASA-N	323.397	1.929	50	20	DDGD	
C[C@H]1CCC[C@@H]1NC(=O)NNc1cccc(S(C)(=O)=O)c1	271928323	ZPRLCPISEDWHEZ-GWCFXTLKSA-N	311.407	1.905	50	20	DDGD	
O=C(NNS(=O)(=O)CCCCCl)c1ccccc1F	276248213	QFSXOEXHNHMHFW-UHFFFAOYSA-N	308.762	1.409	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(Cl)nc1)n1nnnc1C(C)(C)C	273479202	SFQXNNQIXVAAIT-QMMMGPOBSA-N	323.788	1.723	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C[C@@H](C)c2c(C)noc2C)n1	279739597	AKUNABXGZJFJQI-SECBINFHSA-N	316.361	1.950	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(C)c(C(=O)N(C)C)c1	276100871	XZOJZCSALDBRKJ-UHFFFAOYSA-N	321.381	1.395	50	20	DDGD	
CCC1(CC)Oc2ccc(NC(=O)C(=O)NNC(C)=O)cc2O1	276332597	ITGWUDLOKHGBGS-UHFFFAOYSA-N	321.333	1.080	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@H]2CCC(=O)[C@H]2C)c(O)c1	280039015	LXZKOIGVOPWTQG-WDEREUQCSA-N	304.346	1.467	50	20	DDGD	
CCn1ncc2cc(C(=O)NNC(=O)CC(C)(C)C)c(C)nc21	281659844	CZHFPGKSJXRYJX-UHFFFAOYSA-N	317.393	1.957	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)COc2ccccc2CC)C1	287126912	AZHIBFDCZYFUSK-UHFFFAOYSA-N	320.389	1.590	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)/C=C/c1ccc(CC)o1	287692079	DDQDQMIKYDIMCY-ZHACJKMWSA-N	324.377	1.792	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Nc1ccncc1F	284208373	DQSVMUGFQLYWCA-UHFFFAOYSA-N	314.317	1.163	50	20	DDGD	
CCCC[C@@H](C)C(=O)NNC(=O)CNC(=O)c1cccs1	282224015	RMXQGMANDGPLPD-SNVBAGLBSA-N	311.407	1.452	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc2c1OCCC2=O	372707298	PZFGNNZYASPOCT-UHFFFAOYSA-N	306.322	1.350	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)nc1C	282718683	LJNBIPJERDXFFL-HOTUBEGUSA-N	322.365	1.218	50	20	DDGD	
O=C(COc1cc(F)cc(F)c1)NNC(=O)c1ccccc1O	809984328	FCQOPKKNRXIMQG-UHFFFAOYSA-N	322.267	1.510	50	20	DDGD	
O=C(CCC(=O)c1cccs1)NNC(=O)[C@H]1CCCCO1	295307916	FNVQUQZLYIYHQK-LLVKDONJSA-N	310.375	1.428	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN(c2ccccc2F)C1)NC1CC1	290625206	XJQRWQDYLVWHIU-JTQLQIEISA-N	306.341	1.145	50	20	DDGD	
O=C(CCc1ccc(Cl)cc1)NNC(=O)[C@@H]1CCCCO1	295573642	NSHVJFQHXABZMZ-ZDUSSCGKSA-N	310.781	1.989	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2ccccc2O)ccn1	806664454	QVSYXLMYZJUDLJ-UHFFFAOYSA-N	302.290	1.262	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc(C(N)=O)s1	805373238	UONMLQNXCMGIPR-UHFFFAOYSA-N	320.330	1.821	50	20	DDGD	
COC[C@@]1(C)CCN(C(=O)NNC(=O)c2ccccc2OC)C1	296704134	SFYOMNYTHODWFL-INIZCTEOSA-N	321.377	1.408	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1c(F)cccc1F	291779182	CJSVMPKUOZSUBU-KWQFWETISA-N	313.304	1.535	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)c1	290579424	SLJHFQCDJRLQQF-QCZZGDTMSA-N	310.325	1.329	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(-c2ccccc2)o1	292267007	ZEWWKLBSLLBPKS-ZDUSSCGKSA-N	300.314	1.887	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2(C#N)CCCC2)cc1	801111938	UWCRAIQVTBRBDU-UHFFFAOYSA-N	314.345	1.165	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)C2CCCC2)cc1	801112204	YQNBERGXEPJFMN-GFCCVEGCSA-N	317.389	1.907	50	20	DDGD	
CN(C)c1nccc(NNC(=O)Cc2coc3ccccc23)n1	806902393	XKFLTMQNJYUQSE-UHFFFAOYSA-N	311.345	1.975	50	20	DDGD	
Cc1nn(C)c2sc(C(=O)NNC(=O)[C@H]3CCCCO3)cc12	295639449	TYECJMMSFVEPDE-SNVBAGLBSA-N	322.390	1.273	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCC[C@@H](C)C2)cc1	801105573	HTZZKNXMFVVPAL-OLZOCXBDSA-N	317.389	1.907	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CC1CC1)[C@@H]1OCCc2sccc21	294005646	AYQACAYZYJMBGA-OTYXRUKQSA-N	308.403	1.946	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1csc(-c2ccccc2)n1	806970844	QPOQGSXFZABAFG-UHFFFAOYSA-N	318.358	1.306	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc2c(C)cc(O)nc2c1	813425845	OUCQLWKUDCMUQN-UHFFFAOYSA-N	302.334	1.603	50	20	DDGD	
C[C@@]1(C(=O)OCC(=O)NNC(=O)c2cccs2)CC1(F)F	817249271	RJOHWPWIGGYAEI-NSHDSACASA-N	318.301	1.098	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc2oc(S)nc2c1	816970715	ILMAVCUNULZNAD-UHFFFAOYSA-N	317.330	1.672	50	20	DDGD	
O=C(NN=Cc1cccc(C(=O)O)c1Cl)C(=O)N1CCCC1	814825159	ZZRLVEONUXDKSV-UHFFFAOYSA-N	323.736	1.111	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)c1cccc(CO)c1	813377167	DQHCFVDYSNZLLM-UHFFFAOYSA-N	324.340	1.210	50	20	DDGD	
COC(=O)[C@@H]1C[C@H]2CC(=NNC(=O)c3cccc(C)n3)[C@H]1C2	817328098	WRAXIKWRSLEXTC-SDDRHHMPSA-N	301.346	1.695	50	20	DDGD	
CNC(=O)NN=Cc1cn(-c2ccccc2Br)nn1	811639949	KLZBABCAJVNONK-UHFFFAOYSA-N	323.154	1.293	50	20	DDGD	
COc1cc(C=NNC(=O)CC2CC2)cc(OC)c1OC(C)=O	814989429	NQCMZIODKQWTAM-UHFFFAOYSA-N	320.345	1.879	50	20	DDGD	
COCCN(C)NC(=O)C[C@H](NC(C)=O)c1ccc(C)cc1	816561088	LCPKZQOFTHZDLP-HNNXBMFYSA-N	307.394	1.172	50	20	DDGD	
O=C(NNC(=S)Nc1ccc(Cl)nc1)c1ccccn1	727064891	HPWVCCITOMWXBT-UHFFFAOYSA-N	307.766	1.761	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)C2CCCC2)[C@H]1[C@@H]1CCCO1	811909919	OFTVRQKVPDLNHV-STQMWFEESA-N	309.410	1.807	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1ccnc(-n2cncn2)c1	817008666	BYLAURFXTWQZJK-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cccc3[nH]ncc23)c1	728872455	NLKSODOSMWEATB-UHFFFAOYSA-N	305.297	1.509	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cnn(-c2cccnc2)c1	493269404	PZKGFVZIMNUDRB-UHFFFAOYSA-N	303.322	1.437	50	20	DDGD	
CN(NC(=O)c1cc(O)nc(C2CC2)n1)C(=O)OC(C)(C)C	496774530	DUVFJLYOLJDTRK-UHFFFAOYSA-N	308.338	1.571	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cccc(OCc2cscn2)c1	823983229	NTCCKOWNMAEEFI-NSHDSACASA-N	321.402	1.680	50	20	DDGD	
CN(NC(=O)CCOCC(F)(F)F)C(=O)OC(C)(C)C	496460145	YVJPLKBJJYTKPS-UHFFFAOYSA-N	300.277	1.854	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1cnc2ccsc2c1	492908450	UOPIXBDPMPQPJA-UHFFFAOYSA-N	301.349	1.236	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)C(C)C)NC(=O)OC(C)(C)C	497312961	JTWJPFCUSSOFAK-SNVBAGLBSA-N	316.402	1.276	50	20	DDGD	
CCCN(CCN1CCCC1)C(=O)/C(C#N)=C/c1cnn(C)c1	491045313	DUHSEBCJVJQLFD-LFIBNONCSA-N	315.421	1.661	50	20	DDGD	
CC[C@H](NCc1ccc(B(O)O)cc1F)c1c(C)noc1C	585031525	GLGVIXJLBIBSHV-AWEZNQCLSA-N	306.146	1.351	50	20	DDGD	
CN(NS(=O)(=O)C[C@@H]1CCCCO1)C(=O)OC(C)(C)C	496038487	DVRNUTRCSJYPDD-JTQLQIEISA-N	308.400	1.257	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccsc1C(F)F	823475355	PWMSQTSKUHHWMQ-RQJHMYQMSA-N	304.318	1.872	50	20	DDGD	
CCOC(=O)Nc1ccc(F)c(C(=O)NNC(=O)CC2CC2)c1	820757776	LIONSSSSKWANJD-UHFFFAOYSA-N	323.324	1.955	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C	823918564	YHSVTMCLBNDCNF-TUAOUCFPSA-N	315.414	1.024	50	20	DDGD	
C[C@H]1CCC[C@H](N2CCC(=NNC(=O)c3ncon3)CC2)C1	901290100	OKVQVYLPDPYSGU-AAEUAGOBSA-N	305.382	1.830	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1cc(C(=O)O)co1	901154421	BTJOETFXZZRTMD-LLVKDONJSA-N	307.350	1.550	50	20	DDGD	
O=C(NCB(O)O)[C@H](Sc1ccccc1)c1ccccc1	585055438	ADKNODWCJVYYAC-CQSZACIVSA-N	301.176	1.648	50	20	DDGD	
CC[C@H](O)[C@@H](C)C(=O)NNc1nc2ccccc2c(=O)n1CC	900092736	PDJPXVMKJSPEHQ-MFKMUULPSA-N	318.377	1.267	50	20	DDGD	
Cc1nc(C)c(C=NNC(=O)CNC(=O)OC(C)(C)C)s1	494541576	ZZLYVDIEDKCRHW-UHFFFAOYSA-N	312.395	1.735	50	20	DDGD	
CCC(C)(C)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	495393511	QFKZQZHFPPTJNO-UHFFFAOYSA-N	301.387	1.485	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1ccc(OC)c(C(=O)O)c1	737130347	YBTCGDATQDQGNT-PKNBQFBNSA-N	304.302	1.454	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)OC(C)(C)C)NC(=O)C1CCCC1	491074586	CKPPFZSXOFFLLS-JTQLQIEISA-N	313.398	1.627	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N(CC1CCC1)c1ccccc1	584961659	YVXGOSPROVGLIP-UHFFFAOYSA-N	309.174	1.813	50	20	DDGD	
C[C@@H]1CC[C@H](CNC(=O)NNC(=O)c2ccc(C#N)cc2)O1	838744483	KQJYIJOFMVOVRD-ZWNOBZJWSA-N	302.334	1.070	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc(C#N)cc1Cl	831566477	RCIMZAOAMJEQHB-WPRPVWTQSA-N	322.752	1.789	50	20	DDGD	
CC(=NNC(=O)c1ccccc1F)c1c(C)nc(O)nc1O	839386422	NZABKKXIRPOOPI-UHFFFAOYSA-N	304.281	1.489	50	20	DDGD	
CC[C@H]1CCC[C@H](NC(=O)NNC(=O)N=c2cc[nH]cc2)C1	836319454	BAFLACVZMNYNHO-AAEUAGOBSA-N	305.382	1.808	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2C[C@H](C)O[C@H](C)C2)cc1	834934307	DCHBSDGIUNVULF-TXEJJXNPSA-N	303.362	1.993	50	20	DDGD	
COC(=O)[C@@H](CNS(=O)(=O)CCl)c1ccc(C)cc1	830423414	RLNIOFLFHALZQV-NSHDSACASA-N	305.783	1.367	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)Cc1ccc(F)cc1	732303908	ODISOVAPGLEYID-UHFFFAOYSA-N	322.361	1.915	50	20	DDGD	
CC(C)=CCNC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836421273	ULWLZBIGEOEWBR-UHFFFAOYSA-N	306.322	1.717	50	20	DDGD	
OB(O)c1cccc(-c2noc([C@@H]3CCC[C@H]3C(F)F)n2)c1	585051847	FNZZTXBATBZJCM-GHMZBOCLSA-N	308.093	1.565	50	20	DDGD	
CN(C)c1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)c2ccccn2)cc1	730511789	HPAMYZVTAUETOL-LSDHHAIUSA-N	324.384	1.712	50	20	DDGD	
CCOCC(=O)NNC(=S)Nc1ccc(OC)c(Cl)c1	731161120	LKQCQPLICUEJJA-UHFFFAOYSA-N	317.798	1.703	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1csc(Cc2ccc(F)cc2)n1	910166490	XFRQMBXPKMHPDM-SNVBAGLBSA-N	323.393	1.830	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1O)[C@@H]1C[C@H]2CC[C@H]1O2	834982805	LHEATEGQKFLCFD-MBNYWOFBSA-N	304.346	1.831	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1NC(=O)NNC(=O)COCc1ccccc1	838768493	UIFLFINWIYNJNJ-UONOGXRCSA-N	305.378	1.578	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)C(C)(C)c1ccc2c(c1)OCCO2	910167225	FJLQZWWCEULRSA-NSHDSACASA-N	308.378	1.079	50	20	DDGD	
CN(C)C(=O)Nc1cccc(C(=O)NNc2cnccn2)c1	740086357	VAWIOTFSKRNIRC-UHFFFAOYSA-N	300.322	1.327	50	20	DDGD	
Cc1cc2c(cc1C)O[C@@H](C(=O)NNC(=O)c1ccccn1)C2	742463688	VJAWFYDTFUCTEB-OAHLLOKOSA-N	311.341	1.463	50	20	DDGD	
CCc1noc(CCCC(=O)NNC(=O)CC2CCCC2)n1	749940866	ULNLDNGYCBGWAX-UHFFFAOYSA-N	308.382	1.682	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)NNc1ccc(OC(F)F)cc1	748649088	DHCDNAHALXRXQU-UHFFFAOYSA-N	301.293	1.646	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1csc(Cc2cccc(F)c2)n1	910151220	ALTHUEHWFJSGCC-SNVBAGLBSA-N	323.393	1.830	50	20	DDGD	
NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	848233873	SCMNXSLWYJNDPK-BQBZGAKWSA-N	303.149	1.343	50	20	DDGD	
C[C@@]1(C(=O)NCCC(=O)Nc2ncc[nH]2)C[C@@H]1Br	910327707	PTEHATNUZBHHQA-WRWORJQWSA-N	315.171	1.028	50	20	DDGD	
Cc1cncc(C(=O)OCC(=O)NNC(=O)c2ccccc2)c1	745505557	QZKTVMRWPCJCPE-UHFFFAOYSA-N	313.313	1.008	50	20	DDGD	
CCCC1(C(=O)NNc2ccccc2S(N)(=O)=O)CCC1	842261281	IQIFQRFSCXNZPU-UHFFFAOYSA-N	311.407	1.748	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cc1)[C@@H]1CCCS1(=O)=O	847600356	LVYVIGYDRDMUTE-JTQLQIEISA-N	322.308	1.726	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCC(C)CC1)c1cn(C)nc1C	917543723	NLWHBQRHHULUPC-ZDUSSCGKSA-N	319.453	1.937	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)[C@H]2CCS(=O)(=O)N2)cc1	845930424	UHTNDOBLMBSISX-GFCCVEGCSA-N	311.407	1.119	50	20	DDGD	
CCCC(C)(C)C(=O)OCC(=O)NNC(=O)c1cccs1	845355783	AOKLGIRBZFPVLL-UHFFFAOYSA-N	312.391	1.879	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1ccc(-n2cccn2)nc1	749945486	RLPNNUOQDOKUCD-UHFFFAOYSA-N	313.361	1.609	50	20	DDGD	
COC(=O)C1(CNS(=O)(=O)c2ccc(CCl)cc2)CC1	919825938	XCMGDFKFXSMXCT-UHFFFAOYSA-N	317.794	1.657	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc(OCC#N)cc1	740762344	MJGVGSFETXLKPX-UHFFFAOYSA-N	316.361	1.344	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)c1cccc(N(C)C)c1)C(C)C	743639494	XHUBAPYQHZFMMU-AWEZNQCLSA-N	322.409	1.368	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)Cc2ccc(Cl)cc2)CCN1	841984668	CRPGOYMGJIHNTJ-MFKMUULPSA-N	324.812	1.353	50	20	DDGD	
Cn1nc(C(=O)NNc2cccc(C#N)c2)c2ccccc2c1=O	748045718	QJIODVGSRAMJCO-UHFFFAOYSA-N	319.324	1.562	50	20	DDGD	
Cc1nn(C)cc1CC(=O)NNc1ncnc(Cl)c1C(C)C	840544608	FUUIGPMQXKTBRX-UHFFFAOYSA-N	322.800	1.981	50	20	DDGD	
NC[C@H](NC(=O)NNc1ccc(Cl)nn1)C1CCCCC1	841941462	YIJOPRVZBMCYNR-JTQLQIEISA-N	312.805	1.664	50	20	DDGD	
COc1cc(C=NNC(=O)NCc2ccco2)cc(O)c1O	920825392	HRUWBNYRSWXSSV-UHFFFAOYSA-N	305.290	1.533	50	20	DDGD	
C[C@H](CBr)COC(=O)c1ccnc(N)c1[N+](=O)[O-]	848787667	QXJCXNPQWPSAAX-ZCFIWIBFSA-N	318.127	1.760	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NC[C@@H]2CNCCO2)cc1	842012216	VPIJRXVJWGETOM-AWEZNQCLSA-N	306.410	1.599	50	20	DDGD	
C[C@]1(CNC(=O)NCCO[C@@H]2CCOC2)C[C@@H]1Br	923373974	QXTUKHZBAVSFTI-JFGNBEQYSA-N	321.215	1.265	50	20	DDGD	
CN1C[C@H](c2ccccc2)[C@@H](C(=O)NNc2ccc(C#N)cn2)C1	924813156	JIAQYPBHTSDEMO-CVEARBPZSA-N	321.384	1.742	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc2nsnc2c1)C1CC1	855097925	AJNNHSBZUSPMEP-SSDOTTSWSA-N	321.431	1.599	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Nc1cccnn1	757662076	VWVKGQOLSLFUJQ-SECBINFHSA-N	319.296	1.236	50	20	DDGD	
Cc1ccc(CO[C@H](C)C(=O)NNC(=O)c2cccn2C)cc1	858165607	KRWKJKHUCOYEGQ-CYBMUJFWSA-N	315.373	1.700	50	20	DDGD	
Cc1cc(CC(=O)NNc2ccc(C(F)(F)F)nn2)n[nH]1	755189562	RMUBHBSGPNIBGJ-UHFFFAOYSA-N	300.244	1.213	50	20	DDGD	
Cn1c(=O)oc2cc(NC(=O)NNC(=O)C3CCCC3)ccc21	756364187	QZYLLGMKHUTBOI-UHFFFAOYSA-N	318.333	1.474	50	20	DDGD	
Cc1cccc([C@@H]2C[C@H]2C(=O)NNC(=O)Cc2ccncc2)c1	859828737	CXIDKKSEKQUCSZ-JKSUJKDBSA-N	309.369	1.884	50	20	DDGD	
Cn1c(C(=O)NNC(=O)c2ccccc2F)ccc1[N+](=O)[O-]	755424859	PIEOJODHZYSZJA-UHFFFAOYSA-N	306.253	1.147	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)Cn2nccc2C)c1	858127079	SOSCYXIEWRFEDI-UHFFFAOYSA-N	316.361	1.035	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@]2(C)CCOC2)c(C)c1	757737269	VLTVQGKOFATAEI-INIZCTEOSA-N	305.378	1.289	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)c1ccc(OC)cc1OC)C1CC1	859245561	BVZFOZXELRVHED-CQSZACIVSA-N	322.361	1.280	50	20	DDGD	
CC(C)(C(=O)NNc1ccnc(Cl)c1)S(=O)(=O)C1CC1	855466802	YIGUJFDFJURBGC-UHFFFAOYSA-N	317.798	1.534	50	20	DDGD	
CC(C)CC[C@@H]1CCC[C@H]1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1	858184835	VIAZWCGSOHDZAN-XQQFMLRXSA-N	324.425	1.200	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Cc2ccc3c(c2)COC3)c1	754240200	ZHCGJFRPQIDWIC-UHFFFAOYSA-N	321.336	1.592	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NN=C1CCCOCC1	853374179	CFZTYHXLTGXEKD-ZIAGYGMSSA-N	320.393	1.561	50	20	DDGD	
C[C@]1(CNC(=O)NCC(F)(F)CN)C[C@H]1Br	857103087	BMXLLKIHLLZQAO-HTRCEHHLSA-N	300.147	1.053	50	20	DDGD	
COc1ccc2c(c1)C=C(C(=O)NNC(=O)C1CCC1)CO2	755362108	TWMOHMFJJAVNEY-UHFFFAOYSA-N	302.330	1.419	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C)[C@@H]1CCCO1	853376008	IUOSKNNXCXJVRD-VHDGCEQUSA-N	320.393	1.559	50	20	DDGD	
CC[C@@H](C)n1nc(NC(=O)NNC(=O)c2ccc[nH]2)cc1C	757909281	CRYSTJXSXVQIHT-SECBINFHSA-N	304.354	1.957	50	20	DDGD	
C[C@H](N)CCNC(=O)NNC(=O)c1cc2c(s1)CCCCC2	857113727	BFPYSOZHLIMUTB-JTQLQIEISA-N	324.450	1.698	50	20	DDGD	
Cc1cc(=NNC(=O)NCc2ccc3c(c2)C[C@H](C)O3)cc[nH]1	926467503	AFARTGISFPSUQT-LBPRGKRZSA-N	312.373	1.962	50	20	DDGD	
CCCCOCCCNC(=O)NNC(=O)c1cccc(F)n1	851972104	WISFZJDOPOBTBH-UHFFFAOYSA-N	312.345	1.372	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=S)N[C@H](C)C2CC2)s1	855101583	AOQPGXZNYNTTFE-SSDOTTSWSA-N	312.464	1.921	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)OCC(F)(F)F)cc1F	856025417	STBLGNDCAXPDND-UHFFFAOYSA-N	310.203	1.768	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@@H](CO)C2)C[C@@H]1Br	856951564	XOXZNDRBBYKMOR-JFGNBEQYSA-N	305.216	1.574	50	20	DDGD	
Cc1nc(C)c(CCC(=O)NNc2ccnc(Cl)c2)c(O)n1	857309318	JVHDRVFCVSFPTG-UHFFFAOYSA-N	321.768	1.923	50	20	DDGD	
O=C(NN=Cc1sccc1Cl)[C@@H]1CN2CCC[C@@H]2CO1	853390077	KQILGCJKWXTRAT-KOLCDFICSA-N	313.810	1.715	50	20	DDGD	
N#Cc1ccc(CCNC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	852450808	WRGHOFNGUOUOPS-AWEZNQCLSA-N	316.361	1.000	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NN(C)C(=S)NCCCOC	858164391	VYLSWUMPLOTHDF-LLVKDONJSA-N	305.444	1.066	50	20	DDGD	
Cn1ncc(C(=O)NNC(=S)NCC2CCC2)c1C(F)F	855091331	MAAGMMWNDHSSQX-UHFFFAOYSA-N	317.365	1.267	50	20	DDGD	
CC1=C(C(=O)NNc2ccc(C)c(F)c2)S(=O)(=O)CCO1	856229926	BQHVSLDGKMHPQB-UHFFFAOYSA-N	314.338	1.254	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CCCCS2(=O)=O)C[C@H]1Br	857393471	GTFWBXPYGJDIMF-IQJOONFLSA-N	324.240	1.243	50	20	DDGD	
CN(C)[C@H]1CCC[C@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	852224485	GCVYXIXFHONDMB-QWRGUYRKSA-N	323.372	1.038	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H]1CCN(C2CCCCC2)C1	852588496	FXBHTEYBBFOAQW-ZDUSSCGKSA-N	310.442	1.770	50	20	DDGD	
CCCC(O)(CCC)CC(=O)NNC(=O)c1cccc(F)n1	856423431	ULIKNNYALDOLLN-UHFFFAOYSA-N	311.357	1.703	50	20	DDGD	
C[C@@H](Oc1cccnc1)C(=O)NNC(=O)OCC(F)(F)F	856023525	MJNJGOVDHFTWHZ-SSDOTTSWSA-N	307.228	1.169	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NCC1(C)CC1	751999507	JLBXEFMJEAQICT-UHFFFAOYSA-N	301.350	1.387	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H](C)Oc2cccc(F)c2)n[nH]1	869013034	JFYYJVOZWKPUJS-JTQLQIEISA-N	320.324	1.015	50	20	DDGD	
COc1ccc(CC(=O)NNC(=S)N[C@H](C)C2CC2)cc1O	869219119	SYDOXEVQNLALOL-SECBINFHSA-N	323.418	1.237	50	20	DDGD	
CC(=NNC(=O)CS(C)(=O)=O)c1cccc(C(F)(F)F)c1	863189067	XKUDKCNQUXIQDL-UHFFFAOYSA-N	322.308	1.590	50	20	DDGD	
OB(O)c1ccccc1CNc1cc(F)ccc1OC(F)F	864031136	WILKTPWLXDIILT-UHFFFAOYSA-N	311.068	1.719	50	20	DDGD	
CC(C)CCn1cc(C(=O)NNc2nc3ccccc3[nH]2)nn1	768500154	MALTWWZTWTZYMU-UHFFFAOYSA-N	313.365	1.957	50	20	DDGD	
CCN(CC)C(=O)COc1cccc(NC(=O)NNC(C)=O)c1	765134645	MGBKNLUTFBKZGN-UHFFFAOYSA-N	322.365	1.106	50	20	DDGD	
C[C@@H](NNC(=O)CN(C)C(=O)c1cccs1)C(F)(F)F	862307562	MUVKCDRSVVMYMX-SSDOTTSWSA-N	309.313	1.392	50	20	DDGD	
CN(C)CCOc1cccc(NC(=O)NNC(=O)C(C)(C)C)c1	769966791	ZHWCCTARVFMXGK-UHFFFAOYSA-N	322.409	1.826	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)c1cc(C)[nH]n1	761638267	XFTOZTXPDNAOBI-UHFFFAOYSA-N	320.374	1.280	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2Cc3ccccc3C2)nc1	762189029	DZNMQVJOCAZBTB-UHFFFAOYSA-N	311.341	1.726	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1coc(SC)c1	869772944	CTWUMDJOXYEORL-ZETCQYMHSA-N	300.336	1.104	50	20	DDGD	
C[C@@H](Sc1ccccn1)C(=O)NNC(=O)CC(F)(F)F	762492903	ICENBWXUGKUAIP-SSDOTTSWSA-N	307.297	1.662	50	20	DDGD	
CCCCNC(=O)NNC(=O)C[C@@H]1COc2cc(OC)ccc21	760383149	UNVRTENFKUKLRW-LLVKDONJSA-N	321.377	1.692	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1nnc(C2CC2)s1	763486030	QXQSUVYNOGMIEH-UHFFFAOYSA-N	307.339	1.363	50	20	DDGD	
Cn1nc(C(=O)O)cc1C(=O)NC[C@]1(C)C[C@@H]1Br	864058867	XWINIGRLMYNLIW-KWQFWETISA-N	316.155	1.022	50	20	DDGD	
O=C(Cc1ccccc1CO)NNCC(F)(F)C(F)(F)F	863101504	WGJRYGILBHQHDV-UHFFFAOYSA-N	312.238	1.540	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1ncc2n1CCCC2	868025241	BLXKZTRQMFDEDZ-UHFFFAOYSA-N	313.361	1.994	50	20	DDGD	
C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C/C=C/C#N)C1=O	763299411	ITEBTMZKJWWEHY-HSWBROFVSA-N	300.274	1.442	50	20	DDGD	
C[C@H](NNC(=O)c1cc(OCC(F)F)ccn1)C(F)(F)F	862317383	YBKMQLAFXSXVKH-LURJTMIESA-N	313.226	1.911	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)O)C2	864497834	SXXTYLMAZQHTOF-AEJSXWLSSA-N	309.815	1.519	50	20	DDGD	
O=C(/C=C\CN1CCOCC1)NNc1cccc2c1CCCC2	866875134	SUNWRXZVVGPCHU-WTKPLQERSA-N	315.417	1.897	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)c1cncc(N2CCCC2)n1	868819721	ZCVNMZBTSLWYSV-UHFFFAOYSA-N	320.303	1.507	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)Cn2nc(C)cc2C)oc1C	767131786	WPJXHXCYTANIGU-UHFFFAOYSA-N	318.333	1.338	50	20	DDGD	
Cc1ccc(C(=O)NNc2cnccn2)c(Br)n1	764271584	OWHPFLICQNYPLB-UHFFFAOYSA-N	308.139	1.699	50	20	DDGD	
CCO[C@@H](CC(=O)NNC(=O)c1cccc(OC)c1O)C(C)C	760829857	JHNWXESKTSMDKT-ZDUSSCGKSA-N	324.377	1.613	50	20	DDGD	
C[C@H](NNC(=O)CCc1nc2cccnc2[nH]1)C(F)(F)F	1118942361	GJBFYYIHZDZSPL-ZETCQYMHSA-N	301.272	1.462	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)Cc1ccco1	760279886	TVHHCOWSQSGWEX-UHFFFAOYSA-N	303.318	1.090	50	20	DDGD	
COc1ccnc(NNC(=O)c2cncnc2-c2ccccc2)n1	777845787	JGBRTOKWNQLRDY-UHFFFAOYSA-N	322.328	1.699	50	20	DDGD	
CCN(CC)C(=O)CCCNC(=O)NN=c1cc[nH]c(C)c1	875098102	QGWXKXHRNXBPKA-UHFFFAOYSA-N	307.398	1.087	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@@H]2COC(C)(C)O2)c1	875481223	WFIQUKSTKQVBRT-SECBINFHSA-N	313.379	1.152	50	20	DDGD	
CC[C@@H]1CN([C@H](CC)C(=O)NNC(=O)c2ccccc2)CCO1	773690372	LJLUQEYCXUYSEK-HUUCEWRRSA-N	319.405	1.337	50	20	DDGD	
Cc1cc(C)nc(NC(=O)C(=O)NNc2cc(C)nc(C)n2)c1	773641963	UYGZSYZHXOANPE-UHFFFAOYSA-N	314.349	1.187	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cc(C)ccc1OC(F)F	779822413	DEJQITDVDVKLMM-UHFFFAOYSA-N	315.276	1.403	50	20	DDGD	
O=C(NNS(=O)(=O)C[C@H]1CCCO1)c1ccccc1Cl	1116093674	HELLPUKINIHHAH-SECBINFHSA-N	318.782	1.083	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2[nH]cnc2C)c1	873772029	OPLBAHAJUJZVMV-UHFFFAOYSA-N	302.334	1.175	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)N[C@@H]1CC12CCC2	876426386	IPNFRNKHZNLFQR-GXFFZTMASA-N	321.352	1.866	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CCC[C@@H]2C(=O)O)C[C@@H]1Br	872883639	QYPLHAXJSLSQGY-JDVQERKKSA-N	304.184	1.777	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(C)c(C(=O)N(C)C)c1	878892332	TXHOVEMAVHJSHM-UHFFFAOYSA-N	308.382	1.312	50	20	DDGD	
CCOC(=O)[C@@](C)(O)CNC(=O)[C@@H](Br)C(C)(C)C	774020646	CAPFOMBVDGUHJD-PELKAZGASA-N	324.215	1.226	50	20	DDGD	
C[C@@H]1CCN(C(=O)[C@H](Br)C(C)(C)C)[C@@H](C(N)=O)C1	779305714	RAZPWKPUDWAXNS-BBBLOLIVSA-N	319.243	1.908	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1coc(-c2ccccc2Cl)n1	776342497	IZUNMABZANRPPX-UHFFFAOYSA-N	308.725	1.911	50	20	DDGD	
CSc1ccc(C)c(C(=O)NNC(=O)C2CCOCC2)c1	883061552	YMIZXWGARJYIHI-UHFFFAOYSA-N	308.403	1.905	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)CCc1ccccc1)[C@H]1CCCO1	773556573	GXSHMWVALGEBBV-LSDHHAIUSA-N	315.373	1.130	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)c1cccnc1O	771537918	RMUHOOITEXFOJO-UHFFFAOYSA-N	309.123	1.702	50	20	DDGD	
Cc1ccncc1[C@@H](C)NC(=O)NNC(=O)c1ccccc1O	771438859	HNYIRNMZFINIQV-LLVKDONJSA-N	314.345	1.801	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C)C(C)C	770208331	MSCUMYANKWHTEP-HIFRSBDPSA-N	322.405	1.889	50	20	DDGD	
CS[C@H](C)CCC(=O)NNC(=O)COc1ccc(C#N)cc1	773182598	PYKVEXBRVMWOMB-LLVKDONJSA-N	321.402	1.616	50	20	DDGD	
O=C(NN=C/C=C\c1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1	884408396	GQAXNFBVCUYGQB-OMFQGIESSA-N	310.350	1.376	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1nn(C(C)C)cc1Cl	889553836	JNUYNWXCMHJKSS-UHFFFAOYSA-N	303.750	1.307	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)[C@H]1CCc2nnc(O)n2C1	1120734141	ISNNGFNNVLPIRQ-LBPRGKRZSA-N	315.377	1.560	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1c(C)nn(C(F)F)c1C	887143363	VYIGDVUYMNBHLE-UHFFFAOYSA-N	312.320	1.388	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc2ccccc2c1	784916348	XBGCKWJMINGAAT-UHFFFAOYSA-N	314.345	1.471	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)NC[C@@H]1C=CCC1	883779706	CEYKHGMMMCOSPF-GFCCVEGCSA-N	313.361	1.173	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)C[C@@H]1SC(=N)NC1=O	885125695	VVFNDXCXGHEDSX-VIFPVBQESA-N	312.782	1.648	50	20	DDGD	
CSc1cc(CNS(=O)(=O)CBr)ccn1	782478490	DDVRPKWWWDJQBU-UHFFFAOYSA-N	311.226	1.575	50	20	DDGD	
Cn1cc(-c2ccc(F)c(C(=O)NNc3cnccn3)c2)cn1	782853177	HNZXLKKZTIALJE-UHFFFAOYSA-N	312.308	1.773	50	20	DDGD	
O=C(NN=CCC1CCOCC1)c1nnc(O)c2ccccc12	788702653	IWQKYRVPGWAXLI-UHFFFAOYSA-N	314.345	1.868	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2cnc(C)n2C)c(C)c1	899937497	MIPBVJFWXZVSEZ-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
CC(C)c1nnc(C(=O)NNC(=S)NC(C)(C)C)s1	899997123	IEJINRYJFSNHEP-UHFFFAOYSA-N	301.441	1.569	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	784411657	ZAMANPOBPASBDF-UHFFFAOYSA-N	323.356	1.594	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C(=O)c1ccc(Cl)s1	899996288	QVOSUFNMJLXRIQ-UHFFFAOYSA-N	319.839	1.878	50	20	DDGD	
CC[C@H](C)CCCCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1	783800549	VDAUQFVVXRKIRF-NWDGAFQWSA-N	318.439	1.175	50	20	DDGD	
Cc1cccc(CN(C)CC(=O)NNC(=O)C(C)(C)C)c1C	794648125	AXRULDNJIZPMRW-UHFFFAOYSA-N	305.422	1.929	50	20	DDGD	
CSSCCNC(=O)[C@H]1CCN(CC(F)(F)F)C1	791116087	GPHOPHVTGSZIPR-QMMMGPOBSA-N	302.387	1.998	50	20	DDGD	
CC(CN1Cc2ccccc2C1)=NNC(=O)CN1CCCC1=O	792627887	ITZOJZFJLAWCDD-UHFFFAOYSA-N	314.389	1.117	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCOc2ccc(F)cc2)n1	794079944	IITYIUSIEZGZBJ-UHFFFAOYSA-N	317.320	1.759	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)c1c(C)nc2ccccn12	792853974	IBLUYJIUHLJIES-QMTHXVAHSA-N	318.377	1.465	50	20	DDGD	
CC[C@@H](OC)C(=O)NNC(=O)c1cc(C)nc2ccccc12	799009100	KOAWYFRRRARFFA-CQSZACIVSA-N	301.346	1.729	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cc(=O)c2ccc(F)cc2o1	795184982	KDKSYNKTCROOAD-UHFFFAOYSA-N	318.304	1.883	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C/C=C/c1ccc(F)c(F)c1	794882220	ZKGNZLIINHIGKI-QWKORFERSA-N	307.300	1.702	50	20	DDGD	
CC(C)n1ccc(NC(=O)NNC(=O)c2ccccc2O)n1	797680901	VKFSOLGAKPQLDI-UHFFFAOYSA-N	303.322	1.636	50	20	DDGD	
O=C(NCc1cn2ccccc2n1)NNc1nc2ccccn2n1	790117499	MSCOEGYSAFUYKX-UHFFFAOYSA-N	322.332	1.203	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Nc2ccccc2C)n1	798312765	KTYKDIYUHNFCIR-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
CC[C@H]1CCC[C@H]1NCC(=O)NNC(=O)c1cccc(C#N)c1	794576852	ZUJBVMROVFXLHC-DZGCQCFKSA-N	314.389	1.488	50	20	DDGD	
COc1coc(C(=O)NN=c2cc[nH]c3ccccc23)cc1=O	799101283	WKTZCWNOXUBWEZ-UHFFFAOYSA-N	311.297	1.375	50	20	DDGD	
Cn1cc(C=NNC(=O)c2ccc(Br)cc2)cn1	1084506278	AWXVEDXBMLEFMW-UHFFFAOYSA-N	307.151	1.947	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2cnoc2C2CC2)c1	1319327129	SSDVYSFTJMZHIR-UHFFFAOYSA-N	314.345	1.693	50	20	DDGD	
CO[C@@H](C1CC1)[C@H](C)NC(=O)NNc1nncc(N)c1Cl	1325372266	FCOUHRLWFIJUGZ-QUBYGPBYSA-N	314.777	1.152	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1cccnc1Oc1ccccc1	1320275976	ODZHUMXKQVIXAS-UHFFFAOYSA-N	316.317	1.409	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cn(C)nc1-c1ccccc1	1320572334	DRCADQCOSRLGCL-UHFFFAOYSA-N	317.418	1.604	50	20	DDGD	
CN(C)c1cccc(Cl)c1C=NNC(=O)C[n+]1ccccc1	1321540520	RGXJYMHNIHSXSM-UHFFFAOYSA-O	317.800	1.844	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1NC(=O)C(=O)NNc1ccccc1	1320047054	PBVRRMBMOIXCCA-UHFFFAOYSA-N	315.377	1.799	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)Cc2ccc(F)cc2)ccc1C#N	1321616267	SYNBLNTUIKWBFA-UHFFFAOYSA-N	312.304	1.405	50	20	DDGD	
COc1ccc(COCCC(=O)NNc2ccn(C)n2)cc1	1331512006	BGBVQXGOCYORDX-UHFFFAOYSA-N	304.350	1.479	50	20	DDGD	
Nc1cnnc(NNC(=O)CCn2cc(Cl)cn2)c1Cl	1330534347	YYMHRDFGXRDAKC-UHFFFAOYSA-N	316.152	1.096	50	20	DDGD	
O=C(NNc1cncc(Br)c1)C1CCC(O)CC1	1256300500	BLVMXYLTMNBUMA-UHFFFAOYSA-N	314.183	1.838	50	20	DDGD	
CCc1cc(C(=O)NNC(=S)NC(C)C)cc(Cl)n1	1333043877	LBXQGERYEWJMGA-UHFFFAOYSA-N	300.815	1.815	50	20	DDGD	
O=C(NCCc1nc2c(s1)CCC2)NNc1ccncn1	1340789706	YTCQXFJLWCYZHL-UHFFFAOYSA-N	304.379	1.291	50	20	DDGD	
C[N+](C)(C)CC(=O)NN=C(CC1CCCCC1)c1ncccn1	1344405389	IIDLFBGOIOVIRN-UHFFFAOYSA-O	318.445	1.974	50	20	DDGD	
CC(C)[C@@H]1CCN1C(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1351190947	JQKOZQYKCZEKTR-CWSCBRNRSA-N	317.227	1.533	50	20	DDGD	
O=C(COc1ccc(F)c(F)c1)NNc1ccc(C(=O)O)cn1	1601342893	CTVNCVLJNVZDLR-UHFFFAOYSA-N	323.255	1.580	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)cc1C(=O)O	1600461469	MLRSFVPKUVSHTF-UONOGXRCSA-N	314.345	1.674	50	20	DDGD	
COc1cccc(NNC(=O)Nc2cc(C(=O)O)n(C)c2)n1	1607326177	UJTNIPPJMFUFTI-UHFFFAOYSA-N	305.294	1.276	50	20	DDGD	
Nc1cc(C(=O)NNc2cccc(C(=O)O)c2)cc(Cl)n1	1608272419	OHARWHYFEXZASK-UHFFFAOYSA-N	306.709	1.772	50	20	DDGD	
O=C(NCC1=CCOCC1)NNc1cccc(C(=O)O)c1F	1601477114	FTRRNACGAUHTAR-UHFFFAOYSA-N	309.297	1.497	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cnc(C)c(C(=O)O)c1	1607361721	OANQCSYZUJTKEJ-UHFFFAOYSA-N	318.293	1.035	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccsc2C(=O)O)c1	1606618557	WSDUKTNZGBCSJJ-UHFFFAOYSA-N	320.326	1.990	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1cccc(C(=O)O)c1)C(F)(F)F	1610226728	INVGIGIAVMZVDD-VIFPVBQESA-N	321.255	1.588	50	20	DDGD	
CCc1cccc(CC)c1NC(=S)NNC(=O)NCC(=O)O	1610068515	YSGQMJAEIOTZRQ-UHFFFAOYSA-N	324.406	1.397	50	20	DDGD	
Cc1ccc(CC=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)cc1	1549318037	ZVTYDGKXEZTRIC-HOTGVXAUSA-N	301.390	1.503	50	20	DDGD	
CCc1cc(CNC(=O)NNc2ccc(C(=O)O)c(F)c2)on1	1610059118	RXOLFTUWMWQHOF-UHFFFAOYSA-N	322.296	1.901	50	20	DDGD	
O=C(NN=CCCc1ccccc1)[C@H]1CN2CCC[C@H]2CO1	1549314207	HSQZJXMAPXLCTR-JKSUJKDBSA-N	301.390	1.584	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@]1(C)CCNC1	1574014956	TUWRCCZQYCEOSW-CQSZACIVSA-N	311.769	1.109	50	20	DDGD	
Cc1nnc(NNC(=O)NCc2cccc3c2CCCN3)n1C	1579912896	TXSHVDICTWBCKL-UHFFFAOYSA-N	315.381	1.308	50	20	DDGD	
CC(=O)N1CC[C@@](C)(C(=O)NNc2ccc(F)c(C(=O)O)c2)C1	1589060879	BAQOGHZSJPBZGB-OAHLLOKOSA-N	323.324	1.226	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NC[C@H]1[C@@H](C(=O)O)C1(F)F	1590701314	JUGVDQWEXYRZHK-BQBZGAKWSA-N	319.757	1.137	50	20	DDGD	
C[C@@H]1CN(C[C@H](CBr)C2CC2)C[C@@H](C(=O)O)O1	1599865683	JBVNBYQYBIJGAC-MIMYLULJSA-N	306.200	1.581	50	20	DDGD	
Cn1cc(C(=O)O)cc1C=NNC(=O)[C@@H]1CCN1C(C)(C)C	1776098173	ARCHOIJGCBIWCC-LBPRGKRZSA-N	306.366	1.046	50	20	DDGD	
CN(C)c1ccncc1C=NNC(=O)c1ccc(C(=O)O)cc1	1776100014	MBSCNNDSSLJWJN-UHFFFAOYSA-N	312.329	1.610	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1cc(C)oc1C	5823413	ZEUSMBHZKFZJFB-UHFFFAOYSA-N	318.329	1.745	50	20	DDGD	
COC(=O)NNC(=O)c1nnn(-c2ccccc2Cl)c1C	158687997	KOUKGQHFTFFOBJ-UHFFFAOYSA-N	309.713	1.230	50	20	DDGD	
C#CCOCCC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	158880898	TUUDUNIEXLHSAT-AWEZNQCLSA-N	318.373	1.258	50	20	DDGD	
CN(C)C(=O)c1cc(NC(=O)NNc2ccc(C#N)cc2)ccn1	160562506	PACRKTNURCOENZ-UHFFFAOYSA-N	324.344	1.804	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)[C@]1(O)CCSC1	152038349	USOIODRWSXJDFK-HNNXBMFYSA-N	308.403	1.025	50	20	DDGD	
O=C(NNc1ccccc1F)C1CCN(c2cnccn2)CC1	153320660	GVRWBTOWFYKUSN-UHFFFAOYSA-N	315.352	1.975	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1C1CCOCC1)c1ccccc1	153539951	YUKZDDFHCNEQHI-HNNXBMFYSA-N	317.389	1.091	50	20	DDGD	
CC(C)Oc1cncc(C(=O)NNC(=O)c2ccc(C#N)cc2)c1	156061287	ANMHKKVZRKVJSI-UHFFFAOYSA-N	324.340	1.815	50	20	DDGD	
CN1CCN(CCCCNC(=O)NNc2ccccc2)CC1	154029041	VPOMWCWUWKRQCA-UHFFFAOYSA-N	305.426	1.340	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2ccnc(F)c2)n1	155754564	ZRDHSKJGKFEURF-UHFFFAOYSA-N	304.329	1.614	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNc1ccncc1Cl	154702555	HHRVBXIJDWLYFF-LBPRGKRZSA-N	310.785	1.969	50	20	DDGD	
COC(=O)N(C)CCNS(=O)(=O)c1ccc(CCl)cc1	689561593	LKZQKCVPDMEFIA-UHFFFAOYSA-N	320.798	1.402	50	20	DDGD	
COCCN(CC(=O)N1CC=C(C#N)CC1)C(=O)OC(C)(C)C	494333851	OESAVHGIDLPXIB-UHFFFAOYSA-N	323.393	1.552	50	20	DDGD	
C[C@H](Cc1ccccc1F)C(=O)NNc1ncnc2nc[nH]c12	173946332	JVKQVUNOYPLMFP-SECBINFHSA-N	314.324	1.814	50	20	DDGD	
O=C(NCCc1cccnc1)NNC(=O)c1c[nH]c2ccccc12	26312435	KKSPBVKTRFENLR-UHFFFAOYSA-N	323.356	1.750	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cscn2)c(C)c1	103187002	KKVYJNRZJYJOQS-UHFFFAOYSA-N	304.375	1.633	50	20	DDGD	
Cn1cc(CNC(=O)NNC(=O)c2cccc3ncccc23)cn1	106543522	YUONRJJXZHPFKX-UHFFFAOYSA-N	324.344	1.113	50	20	DDGD	
CC(C)Oc1ccccc1C(=O)NNC(=O)Cc1cccnc1	105962329	FDGYXBLCNHAVFR-UHFFFAOYSA-N	313.357	1.873	50	20	DDGD	
CCOC(=O)NNC(=O)CCCOc1cccc(C(C)=O)c1	58781141	FTJSRJISKXQENT-UHFFFAOYSA-N	308.334	1.826	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1ccc2nccn2c1	171807185	KMTWFLMBDRDUCQ-UHFFFAOYSA-N	321.300	1.536	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)n1	174476715	JXZAHIBABHRBGJ-FOSCPWQOSA-N	318.377	1.632	50	20	DDGD	
Cc1cc(C)c(CC(=O)NNC(=O)Cc2ccncc2)c(C)c1	179958312	IIEMHHZDHHQIBN-UHFFFAOYSA-N	311.385	1.939	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@H](c1ccc(OC)cc1)C1CC1	111196801	TUUUAFYOJIDDDD-BZNIZROVSA-N	319.405	1.682	50	20	DDGD	
COC(=O)[C@H]1CCC[C@H](C(=O)NNc2cc(C)nc(C)n2)C1	175245187	TYHULWURQGZLOT-RYUDHWBXSA-N	306.366	1.516	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnn(-c2ccccc2)c1CC	65190020	LHABCPOZZHTMKT-UHFFFAOYSA-N	301.350	1.399	50	20	DDGD	
Cc1nc(CCCC(=O)NNC(=O)c2cccn2C)cs1	175067860	TVNOMGDLSAXUAF-UHFFFAOYSA-N	306.391	1.574	50	20	DDGD	
O=C(CN1CSCC1=O)NNc1ccc(Cl)cc1Cl	178869814	JUALLHFZNITLAB-UHFFFAOYSA-N	320.201	1.969	50	20	DDGD	
CC[C@H](C)N(C)CCNC(=O)NNC(=O)c1ccc(C)s1	171075785	ZMZMKVNPJRDROZ-JTQLQIEISA-N	312.439	1.731	50	20	DDGD	
CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(CCl)cc1	305961756	ALBRSGHSMHILFN-SECBINFHSA-N	304.799	1.228	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cccc(C)c2Cl)nn1	123849464	XPQGRTUWTVGUKL-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
O=C(CSCc1ccccn1)NNC(=O)NCc1ccco1	65175769	PLBUGOQDXOLLJC-UHFFFAOYSA-N	320.374	1.438	50	20	DDGD	
O=C(NCCCOC1CCCC1)NNc1nc2ccccn2n1	187968668	WZJSRDSPXOMMJG-UHFFFAOYSA-N	318.381	1.705	50	20	DDGD	
CCc1ccccc1NC(=O)C(=O)NNc1ccc(OC)cn1	124286100	ZXGYAYRWHSNCPE-UHFFFAOYSA-N	314.345	1.734	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1ccccc1-n1cccn1	184002050	LVQWQRAKTINAAH-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
Cn1nccc1C(=O)NNC(=O)CCSc1ccc(F)cc1	123868193	XZXFIDZWCRYWJD-UHFFFAOYSA-N	322.365	1.503	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2c(C)noc2C)cc1	78471358	VGKMFKJOMVBHHY-UHFFFAOYSA-N	318.333	1.173	50	20	DDGD	
CCCCCCOc1ccc(CC(=O)NNC(=O)CO)cc1	182741324	PNPVVMPSMDCPFP-UHFFFAOYSA-N	308.378	1.328	50	20	DDGD	
CCc1cnc(CNC(=O)NNc2nccc(OC)n2)s1	74842945	NNUQUVSUIXRXFB-UHFFFAOYSA-N	308.367	1.330	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)O)c(C)n1-c1ccccc1	188053879	XEAROBFSCYARNR-UHFFFAOYSA-N	315.373	1.626	50	20	DDGD	
CC(=O)[C@H]1CC(C(=O)NNc2cccnn2)=NN1c1ccccc1	77032677	AEMDWXQYMBZZSC-CQSZACIVSA-N	324.344	1.144	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)[C@@H]1CC(=O)N(C2CCCC2)C1	182965982	QBIPBIITLXZIBH-SNVBAGLBSA-N	322.796	1.969	50	20	DDGD	
CCOc1cc(C(=O)NNC(N)=O)cc(OCC)c1OCC	315653862	SGOJCJDZURJSQA-UHFFFAOYSA-N	311.338	1.196	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cc3occc3[nH]2)cc1	132962864	MHQLJWHUCZMOAT-UHFFFAOYSA-N	312.329	1.942	50	20	DDGD	
C#CCOc1ccc(C(=O)NNC(=S)N[C@H](C)C2CC2)cc1	83677993	GFDNBTOSPSWFEI-LLVKDONJSA-N	317.414	1.606	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1cnc2sccn2c1=O	195220325	JXQDWYFHQZZXKB-UHFFFAOYSA-N	320.374	1.097	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)n1	43042622	JPHOQHCOTWRQCM-LEWSCRJBSA-N	321.425	1.655	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cc(F)cc2nccnc12	193473153	HGANZRSNVOFGPE-UHFFFAOYSA-N	306.297	1.938	50	20	DDGD	
CC[C@@H](C)CC(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12	190512719	QOYGGVZDISLOMJ-SECBINFHSA-N	302.334	1.120	50	20	DDGD	
C=CCC1(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CCC1	190432663	AAGOQMKQGSIHSC-AWEZNQCLSA-N	316.357	1.720	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cc(F)cc2[nH]cnc12	82977461	ZFFZFKCIHGVGOI-UHFFFAOYSA-N	313.292	1.101	50	20	DDGD	
C[C@H]1CN(CCCNC(=O)NNc2ccccn2)C[C@@H](C)O1	193114332	HHEIXSRNTALSMO-BETUJISGSA-N	307.398	1.207	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cnn(Cc2ccccc2)c1	92765030	STLXMROPYKKJSS-UHFFFAOYSA-N	303.322	1.714	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cnc(-c2ccccc2)nc1	146009314	DEMKHSPZCSKHAI-UHFFFAOYSA-N	301.306	1.926	50	20	DDGD	
O=C(CC1CCCC1)NN/C=C1\C(=O)NC(=O)c2ccccc21	254915817	FJDAUSMBQFDJRM-UVTDQMKNSA-N	313.357	1.499	50	20	DDGD	
Cn1cc(C(=O)NN=c2sc3ccccc3n2C)ccc1=O	255141262	NQPNKVZBPHGTER-UHFFFAOYSA-N	314.370	1.184	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)C=C(C3CC3)C3CC3)nc21	269282830	BCPYKUQYYOXHJY-UHFFFAOYSA-N	314.349	1.258	50	20	DDGD	
CN(C)C(=O)CCCNC(=O)NNc1c(F)cccc1F	265410787	CENJORKMKUATPY-UHFFFAOYSA-N	300.309	1.459	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2ncccn2)C12CCCC2	266838160	WBIPPDITTVVXFS-VXGBXAGGSA-N	305.382	1.841	50	20	DDGD	
CCN(CC(C)(C)O)C(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	267008710	RDWVTJLNNFMEGM-VGOFMYFVSA-N	314.389	1.732	50	20	DDGD	
CN(NC(=O)NC[C@@]1(N(C)C)CCSC1)c1ccccc1	267982696	WXONJMCZYCOIAU-HNNXBMFYSA-N	308.451	1.774	50	20	DDGD	
CN(CCNC(=O)NNC(=O)CCCc1ccccc1)C1CC1	264903309	VHHNMILCCFXWGG-UHFFFAOYSA-N	318.421	1.434	50	20	DDGD	
CN1C[C@@H](C(=O)NNC(=O)OC(C)(C)C)c2ccccc2C1=O	365151965	VIWBZVKTBWKMBS-GFCCVEGCSA-N	319.361	1.412	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)N[C@H]1C[C@H]1Cc1ccccc1	266976055	JCFLGPYNVXHLFL-CVEARBPZSA-N	324.384	1.586	50	20	DDGD	
CC(C)[C@@H]1C[C@H](CC(=O)NNC(=O)c2ccccn2)CCO1	273051012	BNSDQWJOONULCP-OCCSQVGLSA-N	305.378	1.684	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2ccc(C)nn2)[C@]12CCCO2	273743969	VANWFGWBUOOAMB-YWPYICTPSA-N	321.381	1.138	50	20	DDGD	
C[C@@H]1CN(C(=O)/C(C#N)=C\c2ccc(O)cc2)CC[S@](=O)C1	279292983	KONHLFIQVGTKJT-OGWBIFASSA-N	318.398	1.526	50	20	DDGD	
COc1ccnc(NNC(=O)NCCC[C@H]2CCCCO2)n1	273667810	HHFAVJPQNDIHRV-LLVKDONJSA-N	309.370	1.461	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)Nc1ccc(Cl)cc1F	274055901	KARKCOUMMXDLFS-UHFFFAOYSA-N	313.716	1.365	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@H]2CCO[C@@H](C)C2)c1	272056608	JNGRCZDGARBKGY-STQMWFEESA-N	306.362	1.336	50	20	DDGD	
O=C(CC1OCCCO1)NNc1nnc(-c2ccccn2)s1	281417447	AMOFKFGXGKTPCZ-UHFFFAOYSA-N	321.362	1.196	50	20	DDGD	
CCOC(=O)CC(C)(C)CC(=O)NNC(=O)c1ccccn1	286876022	CLVRBUKCDSIYSR-UHFFFAOYSA-N	307.350	1.212	50	20	DDGD	
C[C@@H]1CC=CC[C@H]1C(=O)NNC(=O)[C@H]1COc2ccccc2O1	283828034	LEKCFBXJVOXHCE-LALPHHSUSA-N	316.357	1.576	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NNc1nnc(C2CC2)s1	285980448	FQZQLSGCLBVDGZ-SNVBAGLBSA-N	309.395	1.260	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc(C(F)F)cc1	288447064	IZZUFXUKWUACFK-MRVPVSSYSA-N	306.334	1.980	50	20	DDGD	
O=C(NNc1ncncc1F)N[C@H]1C[C@@H]1Cc1ccccc1	292502683	COBIXIJMMDKCFE-AAEUAGOBSA-N	301.325	1.873	50	20	DDGD	
O=C(COCc1ccccn1)NNc1cccc([N+](=O)[O-])c1	807119265	NRHGCACIDCDUOS-UHFFFAOYSA-N	302.290	1.650	50	20	DDGD	
O=C(CCC(=O)c1ccccc1)NNC(=O)N=c1cc[nH]cc1	802032512	SJSBRDBXUZAWMG-UHFFFAOYSA-N	312.329	1.319	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNc2ncncc2F)C12CCCC2	292700720	OBTHTNJWNOTHLH-NEPJUHHUSA-N	323.372	1.980	50	20	DDGD	
CCn1cc([C@@H](C)NCC(=O)NNC(=O)c2ccccc2)cn1	295901369	DDBNLFFZLPNJPC-GFCCVEGCSA-N	315.377	1.015	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc(F)cc1)C1CCCC1	297998482	XQDOOWRACXWMBI-UHFFFAOYSA-N	307.369	1.851	50	20	DDGD	
Cc1cc(O)nc2cc(C(=O)NNC(=O)c3ccccn3)ccc12	809537857	DXJNWHLMCDLKQO-UHFFFAOYSA-N	322.324	1.719	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@H](C)Cc2ccccc2F)O1	297402730	OPPSJPCYFYPUBG-SUNKGSAMSA-N	323.368	1.655	50	20	DDGD	
Cc1cc(C)c(S(=O)(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)s1	295248835	WILONMLNBZJUOO-WPRPVWTQSA-N	318.420	1.242	50	20	DDGD	
CC(C)(C(=O)NNC(=O)C12CCCN1CCC2)c1ccccc1	290731335	ICLKNNBOOZQLBW-UHFFFAOYSA-N	315.417	1.740	50	20	DDGD	
COCCOc1cncc(C(=O)NNc2ncccc2C)c1	801226909	BKHLCLBGTFKUAV-UHFFFAOYSA-N	302.334	1.567	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cccnc1C(N)=O	805387064	SVDSKSFVIJMDEV-UHFFFAOYSA-N	315.289	1.154	50	20	DDGD	
COC(=O)c1cc(C(=O)NNC(=O)Nc2ccccc2)ccn1	801987976	GBQZKGPPLAOSQD-UHFFFAOYSA-N	314.301	1.335	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)CSC(F)(F)F)c1	298395950	DRBWCLNGQPLRML-UHFFFAOYSA-N	321.324	1.767	50	20	DDGD	
CCOC1CC(N(C)CC(=O)NNC(=O)c2cccc(C)c2)C1	805820718	VEJYKEYWTIFGPE-UHFFFAOYSA-N	319.405	1.255	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	807121776	JEKZGYATZYPGPL-UHFFFAOYSA-N	322.708	1.913	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2cc[n+]([O-])cc2)ccc1C	816687843	QYCQJFSRDUPWPL-UHFFFAOYSA-N	301.302	1.172	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1cccc2cc[nH]c12	814763050	RLWDRNOEUBHYQS-CYBMUJFWSA-N	314.389	1.586	50	20	DDGD	
O=C(O)c1cc(C=NNC(=O)c2cc(Cl)ccc2O)c[nH]1	814776569	BTTHFWSMCRMUOU-UHFFFAOYSA-N	307.693	1.836	50	20	DDGD	
CN(NC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1)C1CC1	819648882	VXFNPRCODNEYPX-GFCCVEGCSA-N	308.426	1.476	50	20	DDGD	
COCCN(C)NC(=O)c1ccccc1N(C)C(=O)C1CC1	816560796	AQXQQZNOJLTHJF-UHFFFAOYSA-N	305.378	1.282	50	20	DDGD	
CC(=NNC(=O)NCCc1cccs1)c1cc(CO)on1	812226930	MHUOGTCMRCBKFZ-UHFFFAOYSA-N	308.363	1.494	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NN=C1CCS(=O)(=O)CC1	814757263	UOTMGSFCCGSNTD-UHFFFAOYSA-N	314.794	1.563	50	20	DDGD	
Nc1c(C(=O)NNc2cccc(F)n2)cnn1-c1ccccn1	816654358	DTMMHRLZTUTKRL-UHFFFAOYSA-N	313.296	1.141	50	20	DDGD	
CN(NC(=O)CCCC(=O)c1ccc2c(c1)OCCO2)C1CC1	819649540	FXCLMXSZZNZSBN-UHFFFAOYSA-N	318.373	1.936	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCN(Cc2ccccc2)[C@@H]1C	811647655	VOTGDHHZLJIBEM-GFCCVEGCSA-N	318.377	1.109	50	20	DDGD	
COCCN(C)NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2	816562102	YKLHOZYTOKKWJV-UHFFFAOYSA-N	307.394	1.701	50	20	DDGD	
C[C@@H](CNS(=O)(=O)CCl)N1CCc2ccccc2C1	820788175	ZOKYZIXXEPMMMB-NSHDSACASA-N	302.827	1.549	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)C(=O)c1ccc(Cl)cc1	727096432	POIKVQCINPEODH-UHFFFAOYSA-N	303.705	1.379	50	20	DDGD	
CC(C)COC(=O)Nc1cccc(NC(=O)NNC(=O)CO)c1	495306369	DRBPKJBLNZMVKV-UHFFFAOYSA-N	324.337	1.036	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNc1cccc(-c2nn[nH]n2)c1	825290670	DOGMQFSQDSAQEQ-SNVBAGLBSA-N	304.354	1.515	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2(C(C)C)COC2)cc1F	821938504	BXTZQKZFUDHJOY-UHFFFAOYSA-N	310.325	1.728	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NN=C1CCC[C@H]2C[C@@H]12	495719878	UCSIJNPEIDBZDR-WDEREUQCSA-N	310.398	1.986	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccccc1	825595425	QSXVABKSIAOGPY-NFAWXSAZSA-N	319.405	1.936	50	20	DDGD	
O=C(C[C@H]1CC(=O)NC1=O)NNc1cccc(Cl)c1Cl	822499357	WBPWDIDKCCCGJY-ZCFIWIBFSA-N	316.144	1.489	50	20	DDGD	
CNC(=O)CCOc1ccc(NC(=O)NN(C)C2CC2)cc1	824172176	AZEZGCVUCFEJHS-UHFFFAOYSA-N	306.366	1.332	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1ccc(F)cc1C(F)(F)F	728502193	BOIGRNDTTFQTCK-UHFFFAOYSA-N	314.260	1.564	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)/C=C\[C@H]2CCOC2)c1	493730897	XCXUNAYUJQNLIC-NQHOJNORSA-N	318.373	1.422	50	20	DDGD	
COc1ccccc1CN(C)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	827297356	DYFIZZWRYWZGHU-AAEUAGOBSA-N	321.377	1.293	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2CCc3cc(F)ccc32)cn1	828088628	YILCZTGEPSUYHZ-CYBMUJFWSA-N	302.309	1.050	50	20	DDGD	
COCCCNC(=O)NN=C(C)[C@@H](C)NC(=O)OC(C)(C)C	496065465	XINOJNNOMWTXPQ-SNVBAGLBSA-N	316.402	1.611	50	20	DDGD	
O=C(c1csc(Cc2ccccc2)n1)N1CC[C@@H](B(O)O)C1	585068860	GGYUCHKHINBGSU-GFCCVEGCSA-N	316.191	1.423	50	20	DDGD	
CCC(CC)N(CC(C)C)C(=O)c1ccc(B(O)O)c(F)c1	584957813	RIUFIIXQEAELIS-UHFFFAOYSA-N	309.190	1.792	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC(C)(C)[C@@H]1c1cccs1	829911305	VDMYBEMVOXQWRW-ZDUSSCGKSA-N	309.435	1.934	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC[C@](C)(c2ccccc2)C1	827821774	VFKDVXSTNFAJRZ-SFHVURJKSA-N	317.433	1.844	50	20	DDGD	
OB(O)c1ccc(CN[C@@H](c2ccc(F)cc2)C2CC2)c(F)c1	585024359	VESLTKUUQYTIML-QGZVFWFLSA-N	317.144	1.886	50	20	DDGD	
CCN(CC)CCOc1cccc(NC(=O)NNC(C)=O)c1	903461808	BGGXSMCUTRMPJG-UHFFFAOYSA-N	308.382	1.580	50	20	DDGD	
O=C(NC[C@@H]1CCN1Cc1ccccc1)NNc1ncccn1	824165689	CGQPZXFAZJPKPF-AWEZNQCLSA-N	312.377	1.377	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C	495816002	FXMPODDLALFBRU-SECBINFHSA-N	303.359	1.265	50	20	DDGD	
CCOC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	733429118	ABUGWAYGNHDMTG-RYPVXOHGSA-N	315.329	1.607	50	20	DDGD	
CC(C)(C)[S@](=O)CCNC(=O)NNc1ccc(F)cn1	735111803	QVBXKEJWYGITSP-HXUWFJFHSA-N	302.375	1.394	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CCCCN1C	731865281	NGYUYDJJSSUMLR-SMDDNHRTSA-N	323.368	1.225	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H]1CCCC(=O)N1C	906493794	HBUAOJIFEFVFQW-SNVBAGLBSA-N	308.290	1.520	50	20	DDGD	
CCOC(=O)Nc1ccc(NC(=O)NNC(=O)CC)cc1C#N	495306547	GNIDCPCHOFJQAY-UHFFFAOYSA-N	319.321	1.689	50	20	DDGD	
O=C(N[C@H]1C[C@]12CCCc1ccccc12)c1ccc(B(O)O)cc1	584965047	OIDVWRAWNBPHRL-HKUYNNGSSA-N	321.185	1.143	50	20	DDGD	
COC[C@@H](C)Oc1ccc(C=NNC(=O)c2ncon2)cc1	901287636	VPHJXIGPWQWECL-SNVBAGLBSA-N	304.306	1.247	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNc2cc(C)ncn2)o1	734254307	DORHFDGNSNTWJN-UHFFFAOYSA-N	303.366	1.977	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCOCc1ccc(OC)cc1	736072555	NGGFIMNKDFEMLG-UHFFFAOYSA-N	323.393	1.732	50	20	DDGD	
COc1ccc2c(c1OC)OCC2=NNC(=O)[C@H]1CCCCO1	834986360	UWGHTFFZSSYEJV-CYBMUJFWSA-N	320.345	1.486	50	20	DDGD	
CCOc1ccc(NNC(=O)c2ccnn2CCN(C)C)cc1	908415713	ZADLWOWBNDCXKD-UHFFFAOYSA-N	317.393	1.600	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)c2ncon2)CCCC1	832825632	BTTLRHXZTSUKHG-UHFFFAOYSA-N	314.345	1.651	50	20	DDGD	
Cn1cc(CCC=NNC(=O)COCc2ccccc2)cn1	834959655	WEHWFGKXQXTOFQ-UHFFFAOYSA-N	300.362	1.672	50	20	DDGD	
CC(C)Cc1c[nH]c(C(=O)NNC(=O)c2ccccc2O)c1	839473782	RDUPCSIIZOYASR-UHFFFAOYSA-N	301.346	1.994	50	20	DDGD	
O=C(C[C@H]1CC(=O)N1)NNc1ccccc1OC(F)(F)F	832517284	HMAWWZFQLSFOEV-SSDOTTSWSA-N	303.240	1.307	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)Cc1ccc(OC)c(F)c1	732197281	NEPQSROKDKQBCQ-JTQLQIEISA-N	311.357	1.212	50	20	DDGD	
CC[C@H](NCc1ccc(B(O)O)cc1F)c1c(C)nn(C)c1C	585025870	FRLYEHGDAROEIY-HNNXBMFYSA-N	319.189	1.097	50	20	DDGD	
C[C@@]1(C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)C[C@@H]1Br	907963981	YRCJAPPOJZNNID-JDVQERKKSA-N	317.183	1.117	50	20	DDGD	
CC(C)(Cc1nc(-c2ccc(B(O)O)cc2)no1)C(F)(F)F	585053973	JBPFYQYLLNPFNZ-UHFFFAOYSA-N	314.072	1.547	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2cccc3c2OCCCO3)cn1	735412091	KVSAYONEAVHQKE-UHFFFAOYSA-N	300.318	1.345	50	20	DDGD	
CC(C)(NC(=O)O)C(=O)NNC(=O)CCCc1cccs1	736336525	GYIOXWBCVGTFEA-UHFFFAOYSA-N	313.379	1.264	50	20	DDGD	
CC[C@@H]1C[C@H]1CNC(=O)NNc1ccccc1S(C)(=O)=O	836590284	LLFPOJFYADFFIJ-MNOVXSKESA-N	311.407	1.762	50	20	DDGD	
O=C(C[C@@H](n1cccn1)C(F)(F)F)NNc1cccnn1	832044206	MFXBBAROQMFVRS-MRVPVSSYSA-N	300.244	1.310	50	20	DDGD	
Cc1c(NC(=O)C(=O)NNc2ccc(C(C)C)cc2)cnn1C	835972672	LXONKJWCHKXTDD-UHFFFAOYSA-N	315.377	1.934	50	20	DDGD	
CCc1ncncc1C(=O)NNc1nc(-c2cccnc2)no1	732110672	JJQWIRBJMVWJLX-UHFFFAOYSA-N	311.305	1.241	50	20	DDGD	
C[C@H](NS(=O)(=O)CCl)c1ccc(N2CCOCC2)cc1	830200334	FBMPMWASAHEUBU-NSHDSACASA-N	318.826	1.700	50	20	DDGD	
NNC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O	916665519	CVALKBGHKVLYCL-UHFFFAOYSA-N	309.325	1.129	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1F)[C@@H]1CCCc2nn[nH]c21	830782271	QWXJNRLICRGEAD-ZCFIWIBFSA-N	311.267	1.785	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)C(=O)NNc1ccc([N+](=O)[O-])cc1	837487385	HSSCQCGDBYDFLT-JTQLQIEISA-N	303.322	1.650	50	20	DDGD	
COC(=O)c1ccc(S(=O)(=O)NCCCSC#N)s1	916972425	NTIUTLVXNIOJGD-UHFFFAOYSA-N	320.417	1.417	50	20	DDGD	
O=C(NNc1cccc(Br)c1)C1(n2cnnn2)CC1	830767213	XIHBODFKKAEQPJ-UHFFFAOYSA-N	323.154	1.068	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C(F)(F)C(F)F)cc1F	837050745	RFIQDTCJSAKOSW-UHFFFAOYSA-N	312.194	1.956	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(C(=O)O)no2)cc1Cl	833733335	OQTUPZGBBSYRGX-UHFFFAOYSA-N	311.681	1.792	50	20	DDGD	
COc1cccc(NCC(=O)NN=C(C)c2cn(C)nc2C)c1	917543610	LNNUVNYETFKKIE-UHFFFAOYSA-N	315.377	1.689	50	20	DDGD	
CCCN1C[C@H](C(=O)NNc2ccc3ccccc3n2)CC1=O	839721443	QIHWIDFGMAIVCT-CYBMUJFWSA-N	312.373	1.936	50	20	DDGD	
CC(=NNC(N)=O)c1ccc(OCC(=O)N2CCCC2)cc1	916249010	UGOJYGVPEXFEAU-UHFFFAOYSA-N	304.350	1.080	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1nnc(C2CC2)s1	918542218	VOVICWDFHKDPAR-UHFFFAOYSA-N	309.273	1.521	50	20	DDGD	
CCC(=NNC(=O)[C@@H](C)CN1CCCCC1)c1cnn(C)c1	741812069	MAPADVWTENFSNF-ZDUSSCGKSA-N	305.426	1.772	50	20	DDGD	
COCCN(C)CCNC(=O)NNc1ccc(F)cc1Cl	916332062	RPZLQEORMOGWOU-UHFFFAOYSA-N	318.780	1.683	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843645679	GLBAQPLUSJIBAB-GXSJLCMTSA-N	307.306	1.089	50	20	DDGD	
C[C@@H](CCCN)NC(=O)NNC(=O)Cc1ccc(Cl)cc1	841999598	MDNCYXFBQZJDHE-JTQLQIEISA-N	312.801	1.340	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1cc(Cl)cc(Cl)c1	847893502	CGEQKADWUBAPHY-NXEZZACHSA-N	302.161	1.948	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C[C@H]2CCC(=O)[C@@H]2C)cc1	846375755	JKLPZJVHTAFSEM-DGCLKSJQSA-N	318.373	1.851	50	20	DDGD	
C[C@H](CNC(=O)NNc1cncc(Cl)n1)N1CCCCC1	918121239	LQKGUEPYNWEMTH-SNVBAGLBSA-N	312.805	1.631	50	20	DDGD	
CC(C[C@H]1CCCC(=O)N1)=NNC(=O)COc1ccccc1F	841606447	HMXDBLIXIJPTHX-GFCCVEGCSA-N	321.352	1.755	50	20	DDGD	
CC(C)N1CC[C@@H](NC(=O)NNc2ccc(F)c(F)c2)C1=O	918831500	SGLUQIMYSSIERA-GFCCVEGCSA-N	312.320	1.600	50	20	DDGD	
Cc1c(NNC(=O)CS(=O)(=O)C(C)C)cccc1[N+](=O)[O-]	748666532	YYQBGULUWHUILQ-UHFFFAOYSA-N	315.351	1.170	50	20	DDGD	
CC(C)c1nnc(SCC(=O)NNC(=O)C(C)(C)C)n1C	742452017	OGKPHZJQNWDQDK-UHFFFAOYSA-N	313.427	1.224	50	20	DDGD	
C[C@@H](NC(=O)C1CCCC1)C(=O)NNC(=O)NC1CCCCC1	916106888	CNMACDHONFMITO-LLVKDONJSA-N	324.425	1.344	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1	843663444	YQCYBEIVYGAFAE-VYHVBIQSSA-N	302.374	1.753	50	20	DDGD	
Cc1cc(NNC(=O)Cn2cncn2)ccc1Br	748608226	ZFDKYJFJMRJOKR-UHFFFAOYSA-N	310.155	1.492	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@@H]1CCn2ccnc2C1	846640272	OTGGMRMCEGKMJA-SNVBAGLBSA-N	304.325	1.737	50	20	DDGD	
CO[C@@H](C=NNC(=O)CNc1ccc(C)cc1)[C@@H]1CCOC1	841602301	FALYPNQNAWPUDB-HIFRSBDPSA-N	305.378	1.560	50	20	DDGD	
O=C(NN=C1CCN(Cc2ccccc2)C1=O)c1ccccc1O	743420415	BUZKKGQKTILDLL-UHFFFAOYSA-N	323.352	1.911	50	20	DDGD	
CC1(C)[C@H](NC(=O)NNC(=O)CC(F)(F)F)[C@@H]2CCO[C@H]21	741427117	WSNYXHHTINSXTE-NBEYISGCSA-N	309.288	1.083	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)NCc1cn(C)nn1	840338346	BBYFXDFAYAOEBQ-UHFFFAOYSA-N	324.776	1.208	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=Cc1ccnn1C	914559661	UCFMVMKRXCGIFE-UHFFFAOYSA-N	302.334	1.348	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NNC(=O)c1ncccn1	841350144	GHUULPYDZCWNFQ-VHSXEESVSA-N	302.359	1.411	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NNC(=O)c2ccccc2C)n1	918778361	AWSPNWNOWCWGEN-UHFFFAOYSA-N	314.349	1.373	50	20	DDGD	
O=C(CSc1nc2ccc(Cl)cc2[nH]1)NNC(=O)C1CC1	742444232	DDYHOOHJPROTCW-UHFFFAOYSA-N	324.793	1.866	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CCc1ccccc1)c1cnn(C)c1	749939220	VZTCLJMROGKMNS-GFCCVEGCSA-N	300.362	1.304	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCN(c2ccccn2)CC1	748260215	QBTVDNIHMNVMIG-ZDUSSCGKSA-N	320.393	1.206	50	20	DDGD	
COC(=O)c1cc2c(C=NNC(=O)N(C)C)ccc(OC)c2o1	748784762	BQIKCLSAKUWQII-UHFFFAOYSA-N	319.317	1.833	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)N[C@H]1C[C@H]2CCCCN2C1=O	922816833	KFGSRMRGCKVJNK-MFKMUULPSA-N	324.331	1.744	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)C[C@@H](OC)C1CCCCC1	849304676	UYGHEGIJHSQPAX-DGCLKSJQSA-N	320.455	1.578	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)NCCNC2CC2)cc1	841929797	MBUQNKQIPSEPEP-UHFFFAOYSA-N	322.434	1.170	50	20	DDGD	
CCC/C(C)=C/C(=O)NNC(=O)[C@H]1COc2ccccc2O1	920216763	QAUHSOWNMAJBPQ-CFRMROPGSA-N	304.346	1.720	50	20	DDGD	
C[C@@H](N)CNC(=O)NNC(=O)CSc1ccc(Cl)cc1	841984479	KNCJEYXTFSDWFS-MRVPVSSYSA-N	316.814	1.110	50	20	DDGD	
CCNC(=O)N(C)NC(=O)N=c1cc(CC)[nH]c2ccccc12	841719115	YVBSQTAHYQMEFP-UHFFFAOYSA-N	315.377	1.917	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NC[C@H]2CCC[C@H]2C2CC2)cn1	840395094	JFMSGDKVGXNSER-YPMHNXCESA-N	305.382	1.190	50	20	DDGD	
N[C@H]1CCC[C@@H](NC(=O)NNC(=O)c2c[nH]c3ccccc23)C1	841981811	JVKLTNHWOAXLRZ-WDEREUQCSA-N	315.377	1.382	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	843663660	ZEPHTAIWBLVWII-QPKOPYBWSA-N	313.357	1.234	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)NCCN1CCCC1=O	923072656	IBCCRPBFAWHWQM-UHFFFAOYSA-N	310.785	1.897	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)NCc1ccc(Cl)cc1	755667690	LRQCIECRJQPRPT-SNVBAGLBSA-N	313.785	1.843	50	20	DDGD	
CC(C)C[C@H](CN)CC(=O)NNc1nc(-c2ccncc2)no1	852801296	JWUDJJHHOZZQAH-NSHDSACASA-N	318.381	1.586	50	20	DDGD	
CCn1cc(C(=O)NNC(=S)Nc2ccc(C)cc2C)nn1	929242287	XJTJQCCMQPAFQZ-UHFFFAOYSA-N	318.406	1.546	50	20	DDGD	
N#CSCCCNC(=O)CN1C(=O)CCOc2ccccc21	854363047	JLLDCFCWYZSOTM-UHFFFAOYSA-N	319.386	1.523	50	20	DDGD	
COCCCn1cc(C(=O)NNC(=O)c2ccccc2C)cn1	858153437	LZKKNKKACYTXPX-UHFFFAOYSA-N	316.361	1.303	50	20	DDGD	
Cn1ncc(C(=O)NC[C@]2(C)C[C@@H]2Br)c1Cl	857385508	IPFLCZSNZMUMIE-XVKPBYJWSA-N	306.591	1.977	50	20	DDGD	
Cc1nnc(CNC(=O)NC[C@@]2(C)C[C@H]2Br)s1	856847950	ZBROAONVUOUTNG-GMSGAONNSA-N	319.228	1.819	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)N2CCOCC2)CN1Cc1ccccc1	757578756	XJIQDVBLURRWNO-CQSZACIVSA-N	316.405	1.679	50	20	DDGD	
C[C@H]1COC(C)(C)CN1CC(=O)NNC(=O)c1cccs1	753833514	DMOQIQFDOXLVNE-JTQLQIEISA-N	311.407	1.008	50	20	DDGD	
CCN(C)C(=O)[C@H](C)NC(=O)NNc1cc(F)cc(Cl)c1	854017310	IMQDOGZIBZFZIZ-QMMMGPOBSA-N	316.764	1.972	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@H]1COC[C@H]1C)c1ccccc1	926001379	YLGLCPCDGHKMLC-XBFCOCLRSA-N	305.378	1.546	50	20	DDGD	
CC#CC(=O)NNC(=O)CCCCCNC(=O)OC(C)(C)C	855857767	QPNLQVFAYVYLRZ-UHFFFAOYSA-N	311.382	1.242	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NNC(=O)NCC2CC2)C1	751372525	SKAJTDAKFNRMQP-DGCLKSJQSA-N	324.425	1.012	50	20	DDGD	
COCc1ccccc1C(=O)NNc1ccc(C(=O)OC)cn1	759728688	GPZALTKCFBFWAA-UHFFFAOYSA-N	315.329	1.772	50	20	DDGD	
O=C1NCc2cccc(OS(=O)(=O)CCCCl)c2O1	921566443	MYUKBKIAPVFONM-UHFFFAOYSA-N	305.739	1.626	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cccc(C#N)c2)c(C(F)F)n1	755133811	BDMKTJSUKUMZKR-UHFFFAOYSA-N	319.271	1.304	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccc3nn[nH]c3n2)C[C@H]1Br	857732842	DCXWKNXKPDPCFZ-KCJUWKMLSA-N	310.155	1.256	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)ccc1C	857264328	WEHCCMXECNSRRN-BNOWGMLFSA-N	304.346	1.792	50	20	DDGD	
CCC(=NNC(=O)c1ccc2c(c1)OCCO2)c1ccn(C)n1	758104899	QQUWXZMODUDGBC-UHFFFAOYSA-N	314.345	1.735	50	20	DDGD	
N#CSCCCNC(=O)[C@]1(c2ccccc2)CCC(=O)NC1	854360429	OLRJGMQGBRUULC-MRXNPFEDSA-N	317.414	1.555	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)C2CCOCC2)cc1C	923053805	CFKBAAQFFDTXQM-UHFFFAOYSA-N	304.346	1.385	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(Cl)cn1)c1nnc2n1CCC2	852078074	KGZUPJRAWBVOBB-QMMMGPOBSA-N	321.772	1.660	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@H](OC)C2CCCC2)n1	852656127	HEIHAZOOHNJETG-LBPRGKRZSA-N	308.382	1.922	50	20	DDGD	
CC(C)CN1N=C(C(=O)NNc2ccc(Cl)cn2)CCC1=O	856091374	MBVUQXMSQIAHAL-UHFFFAOYSA-N	323.784	1.813	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=Cc2cccc(F)c2O)cc1	755510050	BXLOOOXKHXDIJS-UHFFFAOYSA-N	313.288	1.932	50	20	DDGD	
COCCN(C)NC(=O)c1ccnn1CCc1ccccc1	857253887	UZHLBSTXXOTLRR-UHFFFAOYSA-N	302.378	1.349	50	20	DDGD	
Cc1cnc2cc(C(=O)NNC(=O)OCC(F)(F)F)ccn12	856026425	YDDRTRQBGTULDK-UHFFFAOYSA-N	316.239	1.576	50	20	DDGD	
C[C@H](CCC1CCCCC1)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1	858225475	GJXFMGYZEDZKMJ-YPMHNXCESA-N	324.425	1.344	50	20	DDGD	
CN(C)Cc1ccsc1C(=O)NNC(=O)c1ccncc1	756081681	VTFPHKPCDBWSSV-UHFFFAOYSA-N	304.375	1.280	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cc2ccc(O)cc2)nc1	759730740	XTTXTWOMNKETNL-UHFFFAOYSA-N	301.302	1.260	50	20	DDGD	
Cc1cccc(NNC(=O)C(=O)Nc2ccc3c(n2)CCC3)n1	861961270	XZKRNVQGJAVUKI-UHFFFAOYSA-N	311.345	1.356	50	20	DDGD	
COc1ccc(C(=O)NNc2ncc(F)cn2)c(OC)c1OC	760920821	MWZCLMDAWDLDOW-UHFFFAOYSA-N	322.296	1.398	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=CC[C@H]2CCOC2)cc1C	765570759	WTJJFIRQNMKVPN-ZDUSSCGKSA-N	303.362	1.771	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNC(=O)NCC2CC2)cc1	765119896	FREOJEFGOJMTHH-UHFFFAOYSA-N	305.378	1.713	50	20	DDGD	
COc1ccc(CC(=O)NNC(=S)NCC2CCC2)cc1O	869217056	MFOHIBBOBCWTOJ-UHFFFAOYSA-N	323.418	1.239	50	20	DDGD	
C[C@@H](NNC(=O)CSC[C@@H]1CCCCO1)C(F)(F)F	862313051	XCAWEGJJEWZKHO-BDAKNGLRSA-N	300.346	1.860	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)C(=O)Nc1cccnc1Cl	764068248	IICSSHRMLQQPLH-UHFFFAOYSA-N	310.741	1.011	50	20	DDGD	
C[C@@H](NNC(=O)COc1ccc([N+](=O)[O-])cc1)C(F)(F)F	862304223	LFEYQQGJZYOPNR-SSDOTTSWSA-N	307.228	1.545	50	20	DDGD	
C[C@@H](NNC(=O)C[C@@H]1COc2ccccc2O1)C(F)(F)F	862320040	DSHCGNTXPURDQV-RKDXNWHRSA-N	304.268	1.788	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NN[C@H](C)C(F)(F)F	862313337	FRQPCNUGFMONII-GMSGAONNSA-N	306.332	1.787	50	20	DDGD	
COCC(=O)NNC(=S)Nc1ccc(OC(F)F)cc1	761837570	JJIBXBKWUIKTDS-UHFFFAOYSA-N	305.306	1.252	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(F)c1Cl)N1CCN(C)CC1	862509543	LBXGGOFSZSVSJF-SNVBAGLBSA-N	314.792	1.558	50	20	DDGD	
O=S(=O)(CBr)NCC[C@H](O)C1CCCC1	867932264	BIBOQZWQNZRLQY-VIFPVBQESA-N	300.218	1.199	50	20	DDGD	
O=C1CCCN1c1cccc(NCc2ccccc2B(O)O)c1	864018959	GOWFQDCHJXJBIH-UHFFFAOYSA-N	310.162	1.105	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccnc1)c1ccccc1C	763191806	BBALIUJXTMBYNW-UHFFFAOYSA-N	310.357	1.660	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=CC[C@H]2CCOC2)C[C@@H](C)O1	765570069	QARFSIPRUZXOTF-XQLPTFJDSA-N	311.426	1.260	50	20	DDGD	
Cn1c(SCC(=O)NN=Cc2ncc[nH]2)nc2ccccc21	764732813	PUNOZCREVYKZLX-UHFFFAOYSA-N	314.374	1.539	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=C2CCC[C@H]2c2ccc(F)cc2)N1	863149259	WAJWZRMVRXVODX-JSGCOSHPSA-N	303.337	1.844	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)n1	862524896	XDEAXUFWVXDQAZ-GFCCVEGCSA-N	304.394	1.870	50	20	DDGD	
Cc1cc(NNC(=O)c2cn(C)c(=O)c3ccccc23)ncn1	760836213	JBBWBZLQZZVOQK-UHFFFAOYSA-N	309.329	1.394	50	20	DDGD	
CN1CCN(C(=O)NN=CC2([C@H]3CCCCO3)CCC2)CC1	872368902	TZOLLTJMMWJSDR-CQSZACIVSA-N	308.426	1.669	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNc1ccc(C(C)(C)C)nn1	1116096576	XBJIRXHXSKBYGA-UHFFFAOYSA-N	323.397	1.742	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cccc(NC(C)=O)c1	872356036	XHVZVXZRELEKHM-NSHDSACASA-N	307.350	1.147	50	20	DDGD	
CC[C@@H](NC(=O)NNc1nncc(N)c1Cl)[C@H]1CCCO1	1116381389	RKYJTQULLZIWIH-RKDXNWHRSA-N	314.777	1.296	50	20	DDGD	
CN(C)CC(=O)NNC(=O)N[C@H](C1CCCCC1)C(F)(F)F	775995441	MIUOXYCRGOWPBZ-LLVKDONJSA-N	324.347	1.390	50	20	DDGD	
COc1ccc(C(=O)NN(C)C(N)=O)c(Br)c1	778417820	FXOCVKYUQPRMSH-UHFFFAOYSA-N	302.128	1.113	50	20	DDGD	
CCOC(=O)c1ccc(NC(=O)NNc2ncccn2)cc1	775500494	KQZRDTAGOMLFDZ-UHFFFAOYSA-N	301.306	1.802	50	20	DDGD	
Cn1nc(NC(=O)NC[C@@]2(C)C[C@@H]2Br)ccc1=O	879905717	QIGKRVRAANLCJR-WRWORJQWSA-N	315.171	1.075	50	20	DDGD	
COC(=O)c1cc(CNC[C@]2(C)C[C@@H]2Br)on1	877647853	UWQGTFMAJWQJJA-ONGXEEELSA-N	303.156	1.724	50	20	DDGD	
C[C@H](NC(=O)CC(C)(C)C)C(=O)NNc1cccc(C#N)c1	779008158	GNAHMUOSXNREAJ-NSHDSACASA-N	302.378	1.942	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(F)cn1)n1nnnc1C(C)(C)C	874649151	IYRRDSRGZCDZNC-MRVPVSSYSA-N	307.333	1.209	50	20	DDGD	
C=Cn1cc(C=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)cn1	773018625	NIJMATAWRFPMPP-UHFFFAOYSA-N	300.278	1.238	50	20	DDGD	
CSSCCNC(=O)N1CCC2(CCNC2=O)CC1	873007537	SXXQDMZNDYTJKW-UHFFFAOYSA-N	303.453	1.309	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@@H](C)N2CCC[C@H](C)C2)cc[nH]1	875071970	OOJDWHFMLCKQRS-GXTWGEPZSA-N	305.426	1.558	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNc2nccnc2C(C)C)c(O)n1	772875367	NCLZTVRAIVQUIC-UHFFFAOYSA-N	316.365	1.398	50	20	DDGD	
COC(=O)NNC(=O)Nc1nn(CC(F)(F)F)cc1Cl	879918737	HXKQQEQUPJNIKS-UHFFFAOYSA-N	315.639	1.491	50	20	DDGD	
Cc1nonc1C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	772967893	PSSUSPBHENFGKP-MRVPVSSYSA-N	324.724	1.260	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H](C(C)C)N1CCCC1=O	772894366	WPJIGIFUOYTPAI-AWEZNQCLSA-N	319.409	1.690	50	20	DDGD	
CC(C)Oc1ccc([C@@H]2CCCC2=NNC(=O)C(N)=O)cc1	776758660	VEPXPSFGUSCTQV-ZDUSSCGKSA-N	303.362	1.699	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1cc(C(=O)O)c(C)nc1C	776724746	XTOFPAYAFBFDFA-UHFFFAOYSA-N	320.349	1.162	50	20	DDGD	
CC(C)N1CCC[C@H](CNC(=O)NNc2ccc(C#N)cn2)C1	888169163	AQLRCXORXBIACV-CQSZACIVSA-N	316.409	1.700	50	20	DDGD	
CC1(C)C(=O)N[C@@H]1C1CCN(S(=O)(=O)CCCCl)CC1	882331732	JOQXZBDCAJYVNJ-LLVKDONJSA-N	322.858	1.182	50	20	DDGD	
Cc1ncc(NC(=O)C(=O)NNc2ccccc2[N+](=O)[O-])s1	773648954	YUQVVRZWARZRFB-UHFFFAOYSA-N	321.318	1.442	50	20	DDGD	
COc1cc(C=NNC(C)=O)c([N+](=O)[O-])cc1OCC(F)F	778534383	RTKQKNDXKVCFRH-UHFFFAOYSA-N	317.248	1.717	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)C1(O)CCCCC1	771562798	YNNHGHWTZNPYSE-UHFFFAOYSA-N	314.183	1.982	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNc2ncc(F)cn2)cc1O	773515900	GCVKSCSRLXEHEW-HWKANZROSA-N	304.281	1.486	50	20	DDGD	
COC[C@@H](NC(=O)NNc1cc(Cl)ccn1)[C@@H]1CCCO1	789842525	MWLYAPAPTYXIKT-MNOVXSKESA-N	314.773	1.555	50	20	DDGD	
CSc1cccc(NC(=O)C(=O)NNc2cccnn2)c1C	784858443	MRQKJFUGQCWTHM-UHFFFAOYSA-N	317.374	1.589	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H]1CO[C@H](C)C1	784142665	KNDXFGVCGLRDPZ-YPMHNXCESA-N	306.362	1.200	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1nc(CC(C)(C)C)cs1	789729886	KFVLZQLBCRUMFQ-UHFFFAOYSA-N	312.395	1.228	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)NCc2ccc(Cl)cc2)CCOC1	787431503	CYWRNEVYHRJJLP-AWEZNQCLSA-N	311.769	1.597	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](O)Cc2ccccc2Cl)nc1	781526289	FCVDGXPOZVENHU-CYBMUJFWSA-N	321.764	1.790	50	20	DDGD	
CCOC(=O)c1csc(/C(C#N)=C/c2cn(CC)nn2)n1	899350061	SGUOULSBQGEHFG-WEVVVXLNSA-N	303.347	1.995	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1C[C@@H](O)[C@H](Cc2ccccc2)C1	890515236	LACXKDWQYCWMKO-RTIMKCCJSA-N	300.358	1.492	50	20	DDGD	
CSCCONC(=O)NNC(=O)Cn1ccc2ccccc21	792917550	JAPSCQQXNVSRTI-UHFFFAOYSA-N	322.390	1.266	50	20	DDGD	
CN(Cc1ccccc1)C1CCC(=NNC(=O)C(N)=O)CC1	797784764	HTJTUFJXLZRTBT-UHFFFAOYSA-N	302.378	1.019	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)c1)C(=O)c1ccc(O)cc1	798150557	VAYZLHWUURBGIJ-UHFFFAOYSA-N	318.716	1.690	50	20	DDGD	
Cc1ccc(C#N)cc1NC(=O)C(=O)NNc1ncccc1C	792375321	IOBMQUPVYLTQKM-UHFFFAOYSA-N	309.329	1.652	50	20	DDGD	
C[C@@H]1C[C@H]2CC[C@H](C(=O)NNC(=O)Cc3ccsc3)CN2C1	1146686020	WPWBXRUJFDQTLZ-KWCYVHTRSA-N	321.446	1.558	50	20	DDGD	
COCCN(C)c1ccc(C=NNC(=O)NCC2CC2)cn1	790159856	NDEWWGSVYIUQHV-UHFFFAOYSA-N	305.382	1.207	50	20	DDGD	
O=C(NCc1cccs1)NNc1ccc(-n2ccnc2)nn1	794799854	VWBAZTWFVJTQIB-UHFFFAOYSA-N	315.362	1.550	50	20	DDGD	
Cn1cc2c(n1)CCCC2=NNC(=O)Cc1ccc(F)cc1	794484070	BOUMZJMCYJWSMW-UHFFFAOYSA-N	300.337	1.959	50	20	DDGD	
Cc1ncnc(O)c1CCC(=O)NNc1ncccc1Cl	1318617821	WNBAHNMBAJCDSA-UHFFFAOYSA-N	307.741	1.615	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=Cc1cc2ccccc2nc1O	1318441606	UREZYZYRYZGWLQ-UHFFFAOYSA-O	307.333	1.378	50	20	DDGD	
COc1ccccc1CC(=O)NNc1nncc(N)c1Cl	1319406012	KGBCYHMVSVGYMQ-UHFFFAOYSA-N	307.741	1.407	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC[C@@H](C)CNC)c1ccccc1	1325679641	GYKJWXNIAKPZGA-GXTWGEPZSA-N	306.410	1.366	50	20	DDGD	
O=C(NN=Cc1cccc2c[nH]nc12)c1n[nH]c2c1CCCC2	1322048787	MSUQKUJEYCBFIH-UHFFFAOYSA-N	308.345	1.929	50	20	DDGD	
COC(=O)C(=O)NN=C1CCC(N(C)Cc2ccccc2)CC1	1322513832	LVYNDLSWXJWEAR-UHFFFAOYSA-N	317.389	1.706	50	20	DDGD	
COCC[C@H](C)CNC(=O)NNc1nncc(N)c1Cl	1327358775	DWCAEDDLMVSVSS-ZETCQYMHSA-N	302.766	1.011	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H](C)CNC(=O)OC(C)(C)C	1322037566	VUDYKUHIIFRWIO-VIFPVBQESA-N	318.443	1.051	50	20	DDGD	
Cc1ncc(Br)c(C(=O)NNc2ncccn2)n1	1324256719	QWSUQLZZCNBSRH-UHFFFAOYSA-N	309.127	1.094	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNc2ccn(C)n2)cc1OC	1320978582	NQXVUUHGYDVIAI-FNORWQNLSA-N	302.334	1.594	50	20	DDGD	
Cc1coc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1C	1324622207	VCXUWFOMESEAJH-UHFFFAOYSA-N	302.286	1.700	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCC[C@H]2OC)c(OC)c1	1335791029	XHXDZJWXCXJAMK-DGCLKSJQSA-N	322.361	1.280	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=C1CC(C(=O)O)(c2ccccc2)C1	1343873240	UGBGNQCHXWBLCY-UHFFFAOYSA-O	324.360	1.263	50	20	DDGD	
O=C(O)CSCC(=O)NNc1ccccc1OC(F)(F)F	1606302093	MZSRJULAWIEGGM-UHFFFAOYSA-N	324.280	1.846	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2ccc(-c3nn[nH]n3)o2)c1	1605223493	CKUPMLKRJMAXJP-UHFFFAOYSA-N	318.268	1.364	50	20	DDGD	
Nc1c(C(=O)NNc2ccccc2C(=O)O)cccc1[N+](=O)[O-]	1608266654	APLMXNYOQNTETE-UHFFFAOYSA-N	316.273	1.632	50	20	DDGD	
COC(C)(C)[C@H](C)NC(=O)NNc1ccc(F)c(C(=O)O)c1	1606653181	YHEURWYPXDPQFR-QMMMGPOBSA-N	313.329	1.964	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2C[C@@H](C(=O)O)C2)c(C)c1	1600458222	DPSAAHJCCPZBEB-PHIMTYICSA-N	321.402	1.732	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=Cc2cc(C(=O)O)no2)c1	1606059992	RYPIGLCOTSFPHC-UHFFFAOYSA-N	302.290	1.203	50	20	DDGD	
O=C(O)[C@H]1CC12CCN(S(=O)(=O)CCCCCl)CC2	1601774964	VSATVFLUWGQVJQ-SNVBAGLBSA-N	309.815	1.522	50	20	DDGD	
C[C@]1(CNC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)C[C@H]1Br	1604576917	BNZGRDDNNPADSZ-JXVAYASWSA-N	319.199	1.712	50	20	DDGD	
COCc1cc(NC(=O)NNc2cccc(C(=O)O)c2)ncn1	1606948362	IUAOKTVWNQRVMW-UHFFFAOYSA-N	317.305	1.470	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)/C=C\c2ccc(C(=O)O)o2)o1	1600341426	FUCMEPBGPGXSOS-DAXSKMNVSA-N	304.258	1.354	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1ccc(C(=O)O)nc1	1605821248	YYCJWKSSWVNQBS-UHFFFAOYSA-N	309.285	1.480	50	20	DDGD	
N#CSCCCNS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)O	1601079645	OXAKHYZZUNHGOL-ZJUUUORDSA-N	306.409	1.154	50	20	DDGD	
Cc1nc(C(=O)NN(C)c2ccccc2)ccc1-c1nn[nH]n1	1606029820	ZKVFVOUMTJDAHB-UHFFFAOYSA-N	309.333	1.351	50	20	DDGD	
N#CSCCCNS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)O	1601079643	OXAKHYZZUNHGOL-UWVGGRQHSA-N	306.409	1.154	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@H]1C[C@@H](C(=O)O)C1	1601359274	FPRNZTJIOQJCKT-AOOOYVTPSA-N	310.737	1.141	50	20	DDGD	
Cc1occc1C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1606176764	PXHRVAIYOARZSW-UHFFFAOYSA-N	317.309	1.636	50	20	DDGD	
CCOC(=O)N[C@@H](C(=O)NNc1ccccc1C(=O)O)C(C)C	1610023049	ZLJIVAJYKJKORM-GFCCVEGCSA-N	323.349	1.599	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@@H]1C=NNC(=O)c1ccccn1	1552449251	YZYYWWSDURRDIH-OCCSQVGLSA-N	313.361	1.699	50	20	DDGD	
CCn1cc([C@H]2OCC[C@@H]2C=NNC(=O)c2cc[nH]n2)cn1	1552451960	KLOZXKPPOHCKRP-MFKMUULPSA-N	302.338	1.120	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C=NNC(=O)C1CCOCC1	1552919522	KTSMXRPHHDXPME-UONOGXRCSA-N	320.393	1.416	50	20	DDGD	
CC(C)c1ccc(NNC(=O)CNC(=O)[C@@H](N)C(C)C)cc1	1575858468	GVUOWXYDCWAGFL-HNNXBMFYSA-N	306.410	1.353	50	20	DDGD	
C[C@@]1(C(=O)NC[C@@H]2C[C@@H]3CC[C@H](C2)N3)C[C@@H]1Br	1576342226	RHZKUGYCKBBDHN-VGDATSSVSA-N	301.228	1.807	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CCCCCCN)c1	1579773145	UFFJOUWSNNPHMY-UHFFFAOYSA-N	307.394	1.430	50	20	DDGD	
N[C@@H](C(=O)NNc1cc(O)nc2ncccc12)C1CCCCC1	1580114867	DHVHBMOTYCIQLF-CQSZACIVSA-N	315.377	1.686	50	20	DDGD	
CC(=O)C(=O)N1CCCC12CN(C(=O)[C@](C)(Cl)CCl)C2	1842611309	GRTJFGPHVITHCR-GFCCVEGCSA-N	321.204	1.015	50	20	DDGD	
COCC(=O)N1CC2(CCCN2C(=O)[C@](C)(Cl)CCl)C1	1845169867	LNKVPGGIOQXSEP-GFCCVEGCSA-N	323.220	1.073	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)C(C)=O)C2	1841667405	JELUYBFZABHBRI-NSHDSACASA-N	300.786	1.186	50	20	DDGD	
COCC(C)(C)CNC(=O)NNc1ccc(C(=O)O)c(F)c1	1599145279	NRPIAKDDBRBXTJ-UHFFFAOYSA-N	313.329	1.823	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccc(C(=O)O)cn1	1592040040	WZAPWMXKGHXXDR-UHFFFAOYSA-N	301.306	1.450	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)c1cscc1-c1nn[nH]n1	1593163822	JUKBASYGCKKQND-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(OCCC(=O)O)cc1	1596864868	WXDLBWUYFQQFRB-KHPPLWFESA-N	304.302	1.923	50	20	DDGD	
CC(=NNC(=O)c1cn[nH]c1)c1cccc(O[C@H](C)C(=O)O)c1	1776093840	NSIGIFZIJFLISA-SNVBAGLBSA-N	316.317	1.416	50	20	DDGD	
CN(C)CC(=O)NN=Cc1c(C(=O)O)n(C)c2ccc(F)cc12	1776042115	LZHSJCUWABHFPO-UHFFFAOYSA-N	320.324	1.027	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@H]1C(=O)NNC(=O)COCc1ccccc1	162558111	IKVXWDVOJYEVLH-IUODEOHRSA-N	318.373	1.356	50	20	DDGD	
Cc1ccc(C(N)=O)c(OS(=O)(=O)CCCCCl)c1	153358357	LTKRVTZYDDMJFT-UHFFFAOYSA-N	305.783	1.822	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ccccc1Br	153671034	KCOUDFHQBBYIIM-JGVFFNPUSA-N	313.151	1.701	50	20	DDGD	
CN1N=C(C(=O)NNc2ccc(C(F)(F)F)cc2)CCC1=O	153789723	WDUZFIJXBYLZHE-UHFFFAOYSA-N	314.267	1.757	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)cc1	155126087	QSZDPTWHZXFDNX-MCIONIFRSA-N	303.362	1.513	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccc2nc(C3CC3)oc2c1	156167696	AODTZJKJZRFCSG-UHFFFAOYSA-N	304.306	1.240	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1cc(Cl)ccc1O	156329981	VZRKPXIQWIVEEP-UHFFFAOYSA-N	304.697	1.469	50	20	DDGD	
C[C@H](Cl)C(=O)N[C@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C	1887504305	ONJQLDVKCFQZBK-NKWVEPMBSA-N	312.761	1.685	50	20	DDGD	
O=C(/C=C/c1ccc(Cl)cc1)NNC(=O)Cc1cc[nH]n1	106417437	OWZHIYXNYDAXFW-ZZXKWVIFSA-N	304.737	1.466	50	20	DDGD	
O=C(CCc1cccc(Cl)c1)NNC(=O)Cc1cc[nH]n1	106416989	HJRLEZYRRYVGDX-UHFFFAOYSA-N	306.753	1.386	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2CCC[C@@H](N(C)C)C2)n1	176575391	XIPUISKBRYNSKP-CHWSQXEVSA-N	306.414	1.592	50	20	DDGD	
COCCCOc1cccc(C(=O)NNc2cccnn2)c1	173829559	UFERREGVSKESBC-UHFFFAOYSA-N	302.334	1.649	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccc([N+](=O)[O-])cc2)nn1	106261895	QIUNJMJMNITITM-UHFFFAOYSA-N	302.294	1.520	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CCC2(CC1)OCCO2	58220444	LSHLOCYZMAXVDI-UHFFFAOYSA-N	319.361	1.188	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2[C@H](C)CCC[C@H]2C)n1	104077240	PCSBROGBVIUECM-VXGBXAGGSA-N	324.450	1.404	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc([N+](=O)[O-])cc2F)n1	54763483	BIOJQZDSPFGSGE-UHFFFAOYSA-N	307.241	1.289	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CSc1nccs1	177914164	RDNOLIOOHNZMAT-UHFFFAOYSA-N	321.427	1.934	50	20	DDGD	
Cc1noc(C)c1CSCC(=O)NNC(=O)NCC1CC1	68455984	HPKCGRZXKRBNQP-UHFFFAOYSA-N	312.395	1.265	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CC[C@@H]2CCCCO2)c1	110295759	RPDSRDYBWDRVRG-AWEZNQCLSA-N	301.346	1.669	50	20	DDGD	
CCCCOCC(=O)NNc1nc2ccccc2c(=O)n1C	118343055	SPIQXYJIDAWNAN-UHFFFAOYSA-N	304.350	1.193	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc3c(c2)COC3)c(O)c1	64656772	ZFMQIUSSXJKNEW-UHFFFAOYSA-N	312.325	1.806	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CC[C@@H]2CCOC2)cc1	176882642	HPYFVFWVIMDIEN-CQSZACIVSA-N	320.389	1.592	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H](C)Cc2c(C)nn(C)c2C)n1	173065617	BAHUTXQZAADMMN-SECBINFHSA-N	318.381	1.157	50	20	DDGD	
Cc1nc(CNC(=O)NNC(=O)c2ccc(C#N)cc2)cs1	60994723	XMDBIBMNDGKSLX-UHFFFAOYSA-N	315.358	1.467	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CN1CCC(C)CC1	122347130	PJKYZYFWITUEBA-UHFFFAOYSA-N	319.405	1.117	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCCOC(C)C)cc1	184021673	RJPSQFPECOWMIK-UHFFFAOYSA-N	308.378	1.726	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCCC2(C1)OCCO2	185874974	HUZGYWIEVHTNHS-GXDHUFHOSA-N	314.341	1.665	50	20	DDGD	
CC(C)C[C@H](C)OCCC(=O)NNc1cc(Cl)nc(N)n1	183539610	RWZPFRPHJQPHAI-VIFPVBQESA-N	315.805	1.997	50	20	DDGD	
CC1(C)C[C@H](NC(=O)NNc2nc3ccccn3n2)CCO1	189671050	BQBXCMIQOLFUMB-SNVBAGLBSA-N	304.354	1.313	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cnc(Br)c(C)c1	182454662	BAEIONJLDSQEOD-UHFFFAOYSA-N	317.143	1.935	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NNC(=O)Cc1cccnc1	120618665	OYISKKAAJWKLEL-CHWSQXEVSA-N	315.398	1.945	50	20	DDGD	
CCOc1ccc(OCCOc2ccc(B(O)O)cc2)cc1	314928071	KKUYWBVSGVQRFB-UHFFFAOYSA-N	302.135	1.223	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1	184003861	YINMSHAVJMJCJS-YUMQZZPRSA-N	301.268	1.510	50	20	DDGD	
N#Cc1c(F)cccc1C(=O)NNC(=O)Cc1ccccc1F	187788299	VYMRYGYLGSMSTD-UHFFFAOYSA-N	315.279	1.840	50	20	DDGD	
COCCCN(CCOC)C(=O)/C(C#N)=C\c1ccc(O)cc1	188241128	MXGFXIILRVBAGK-QINSGFPZSA-N	318.373	1.811	50	20	DDGD	
Cc1ccc(-n2nc(C(=O)NNC(=O)C(C)(C)O)cc2C)cc1	190064619	VMKIDHCEKIXVHC-UHFFFAOYSA-N	316.361	1.021	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNC(=O)c1ccc(CC)cc1	134483900	FIQSBIIAUQKSFE-UHFFFAOYSA-N	306.362	1.599	50	20	DDGD	
O=C(CC1OCCCO1)NNc1ccc(C(F)(F)F)cn1	193868049	CBFQQYCEHFJVDU-UHFFFAOYSA-N	305.256	1.697	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(-n2cccn2)nn1)c1cccnc1	43784966	MNBFCMAKCSOBTP-NSHDSACASA-N	324.348	1.445	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCOc1ccccc1Cl	42785712	HPTMDKVILNHMJH-UHFFFAOYSA-N	313.810	1.790	50	20	DDGD	
O=C(NCCCCCCO)NNC(=O)c1cccc(Cl)c1	192727550	GAVMBDPXMGXCRO-UHFFFAOYSA-N	313.785	1.837	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H]1COc2ccccc21)C1CC1	83675652	DPYPYSFCCHEQMV-JOYOIKCWSA-N	305.403	1.456	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2cc(Cl)ccc2O)[nH]n1	97249833	CEOVRMLTXFYOFA-UHFFFAOYSA-N	308.725	1.406	50	20	DDGD	
COc1ccc(OC)c(CC(=O)NNC(=O)c2ccccc2)c1	98080512	IFGMNYGDWVZUGG-UHFFFAOYSA-N	314.341	1.708	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)NC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12	247325207	GOXFFWJGZLVXLY-VDUILEQBSA-N	301.346	1.381	50	20	DDGD	
O=C(CCC(=O)c1ccc(F)cc1F)NNC(=O)C1CCC1	264765373	NIFLNMURFCJSNA-UHFFFAOYSA-N	310.300	1.875	50	20	DDGD	
O=C(COC1CCCC1)NNC(=O)c1cccc2ncccc12	264478882	VZKAMBQKTOZOSM-UHFFFAOYSA-N	313.357	1.955	50	20	DDGD	
Cc1nn(C)c(C)c1CC(=O)NNc1cccc([N+](=O)[O-])c1C	269591690	GOIDWPYYQTXOOM-UHFFFAOYSA-N	317.349	1.939	50	20	DDGD	
CS[C@H](C)CC(=O)NNC(=O)c1ccc(Cl)cc1O	270552510	ZAHULFXMUMZIDC-SSDOTTSWSA-N	302.783	1.948	50	20	DDGD	
CCN1CCOC[C@H]1C(=O)NNc1ccc(Cl)c(OC)c1	364191782	SXAFBSYSMFOIEW-LBPRGKRZSA-N	313.785	1.512	50	20	DDGD	
C[C@@H]1C[C@@H](CCNC(=O)NNc2nc3ccccn3n2)CCO1	276800201	KHAKWXIAIZZKMN-NEPJUHHUSA-N	318.381	1.561	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1CCc2[nH]ncc2C1	270143515	RZIUDNACTTUPSH-SECBINFHSA-N	301.306	1.566	50	20	DDGD	
O=S(=O)(CBr)N[C@@H]1CCO[C@H]1c1ccccc1	272853938	VXXPAMOXGOMKMD-MNOVXSKESA-N	320.208	1.788	50	20	DDGD	
CC(C)OC(=O)CCCNC(=O)NNc1cccc([N+](=O)[O-])c1	274247888	YCJXKADAKVHBMV-UHFFFAOYSA-N	324.337	1.953	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)c1ccc(OC)c(Cl)c1	273737833	LIADKCZFLHXTON-UHFFFAOYSA-N	313.741	1.224	50	20	DDGD	
CCCSc1nsc(NC(=O)NNC(=O)CC2CC2)n1	273395353	FMTBLQRWOSIWOE-UHFFFAOYSA-N	315.424	1.993	50	20	DDGD	
CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NNc1ncccc1F	286165302	ZMGDMSBOSHPHDF-QMMMGPOBSA-N	322.262	1.367	50	20	DDGD	
CC(C)Oc1ncccc1C(=O)NNC(=O)Cc1cccnc1	284603573	IVVOYXKLKDPHMS-UHFFFAOYSA-N	314.345	1.268	50	20	DDGD	
O=S(=O)(CBr)N1CCOc2cc(O)ccc2C1	285740008	VTVABVVCKAKDHV-UHFFFAOYSA-N	322.180	1.269	50	20	DDGD	
CC(C)(C(=O)NNC(=O)COc1ccc(C#N)cc1)C1CC1	288168727	CEIZNYJMCFSUJV-UHFFFAOYSA-N	301.346	1.521	50	20	DDGD	
CC(C)(C(=O)NNc1ncnc2nc[nH]c12)C1CCOCC1	280807498	WNVJXFFTJRAXBY-UHFFFAOYSA-N	304.354	1.249	50	20	DDGD	
CO[C@H](C(=O)NNc1ccc([N+](=O)[O-])cc1C)c1cnn(C)c1	288619068	JGRDPVNGJWUKNX-ZDUSSCGKSA-N	319.321	1.468	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1ccc(N2CCOCC2)cc1	286388302	GJNAEQJZWVLKBR-UHFFFAOYSA-N	316.336	1.814	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)N[C@H](C1CC1)C(F)(F)F	288428456	PEQGGSHQUQOWST-SECBINFHSA-N	302.256	1.367	50	20	DDGD	
CCOC(=O)Nc1scnc1C(=O)NNC(=O)C1CCC1	291880603	IEJHSFWKKYPPJO-UHFFFAOYSA-N	312.351	1.273	50	20	DDGD	
Cn1ccc2cccc(NC(=O)NNC(=O)[C@H]3CCCCO3)c21	297856393	PBCVWHJBAPADJI-CYBMUJFWSA-N	316.361	1.900	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1cnc2c(c1)c(C)nn2C	299663123	QTQMLOSJGXLKIM-SDQBBNPISA-N	300.318	1.373	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)CCCCCC#N)cn1	805178374	NCBFEHDKVZXCTL-UHFFFAOYSA-N	321.406	1.882	50	20	DDGD	
COc1nccnc1NNC(=O)Cc1c(C)nn(C(C)C)c1C	293708993	LPYHLHXZQKBFMK-UHFFFAOYSA-N	318.381	1.565	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc2ccccc2oc1=O	295606086	QGWODEAYSYCVJT-ZDUSSCGKSA-N	316.313	1.123	50	20	DDGD	
O=C(COC1CCCC1)NNC(=O)c1c[nH]c2ccccc12	298679470	SYHZVYDZQJYSTE-UHFFFAOYSA-N	301.346	1.888	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)[C@@H]2CCCO2)c1-c1ccccc1	294151336	VCVZZBREQZBPRQ-ZDUSSCGKSA-N	314.345	1.027	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1ccccc1	299003259	NMUFKGIOYASZPL-ZDUSSCGKSA-N	303.362	1.239	50	20	DDGD	
CN1C(=O)CC[C@@H]1C(=O)NNc1ccccc1OC(F)(F)F	807288464	XSWMSRKMBOVXKB-SECBINFHSA-N	317.267	1.649	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)[C@H]1CCOc2ccccc21	295648241	UQWKJTUAWLRISS-GXTWGEPZSA-N	304.346	1.269	50	20	DDGD	
C[C@@H]1CCC[C@@H]1CNC(=O)NNc1ccc(-n2ccnc2)nn1	805441047	NZJNPSFJVTYDAJ-VXGBXAGGSA-N	315.381	1.725	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CC[C@H]2CCCO2)cc1	298279762	IPCAIVYRGQECKJ-CYBMUJFWSA-N	306.362	1.480	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)s1	802102708	CLIJJOWXCMIWAX-UHFFFAOYSA-N	320.330	1.647	50	20	DDGD	
CNC(=O)NNC(=O)Cc1c(C(C)=O)oc2cc(C)ccc12	805167573	BGUWVUPPWXNCGG-UHFFFAOYSA-N	303.318	1.447	50	20	DDGD	
Cc1cc(NNC(=O)c2cn(C)nn2)ccc1Br	809680499	XAUASCVNWKMROK-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
CC(C)(C)C(=O)CCCC(=O)NNC(=O)Cc1cccnc1	294743122	YINNZTQSYWJFDN-UHFFFAOYSA-N	305.378	1.557	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CSC(F)F	299268942	ZWUPPNDRLSBNIT-SSDOTTSWSA-N	322.308	1.696	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc2cc(F)ccc2[nH]1	295349511	IOTAWJVQSXZCPV-ZDUSSCGKSA-N	305.309	1.637	50	20	DDGD	
Cc1cccc(CCCNC(=O)NNC(=O)c2ccccc2)n1	804891857	JDPHUJVFGDOXQZ-UHFFFAOYSA-N	312.373	1.967	50	20	DDGD	
C[C@@H]1CN(C[C@@H](C)C(=O)NN=C2CCn3cccc32)C[C@@H](C)O1	818259693	JDAXBBSLQDTOAN-MGPQQGTHSA-N	318.421	1.457	50	20	DDGD	
CCC(=NNC(=O)Cn1nc(C)cc1C)c1ccc(F)cn1	814752841	GPBMMALZVKGRIH-UHFFFAOYSA-N	303.341	1.965	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1ncc(Cl)cc1C	812989946	VADGKZAAXQRUBP-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NN=Cc1cn(C)nc1O	814215261	OKBUROWFQKXADB-VIFPVBQESA-N	306.297	1.182	50	20	DDGD	
Cn1cc(C=NNC(=O)c2cc(-c3cccs3)[nH]n2)c(O)n1	814224186	BKCANNPANXFHIM-UHFFFAOYSA-N	316.346	1.341	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2cnn(CC(F)F)c2)cc1	814214331	ABWMDFDHMAJHLK-UHFFFAOYSA-N	322.315	1.986	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@H]2CCCSC2)nc1C	810932113	LSGPWYOQFQVGDY-JTQLQIEISA-N	324.406	1.548	50	20	DDGD	
O=C(NC[C@@H]1C[C@H]2C=C[C@H]1CC2)NNc1nc2ccccn2n1	817789458	ZJJGLIAMBAPKMT-AVGNSLFASA-N	312.377	1.958	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C#N)cc1)c1ccc(N)nc1	814722105	KDTSRXASLPCHPT-UHFFFAOYSA-N	309.329	1.455	50	20	DDGD	
COC1CCN(C(=O)NNC(=O)c2cccc(C#N)c2)CC1	728954747	MQFJPFMCEPZQLR-UHFFFAOYSA-N	302.334	1.023	50	20	DDGD	
COc1ccc(CCC(=O)NN=Cc2c(C)nn(C)c2N)cc1	814814361	IJBXQTGQKYHHAI-UHFFFAOYSA-N	315.377	1.402	50	20	DDGD	
O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)c1cn[nH]c1	728972193	GGTBSECGENEVJF-UHFFFAOYSA-N	316.289	1.163	50	20	DDGD	
Cc1ncccc1C=NNC(=O)CNC(=O)c1cccs1	728781565	XLYYWEYPFSMQHQ-UHFFFAOYSA-N	302.359	1.332	50	20	DDGD	
N#C/C(=C/c1cc(-c2nn[nH]n2)cs1)C(=O)NC1CCCC1	822796643	UCLVVPPXPBPCSN-UITAMQMPSA-N	314.374	1.894	50	20	DDGD	
CC[C@H](C)[C@@H](C)NC(=O)NNC(=O)CNC(=O)OC(C)(C)C	494456564	UYLHWFMFINRAOI-VHSXEESVSA-N	316.402	1.276	50	20	DDGD	
CC1CCN([C@@H](C)CNC(=O)/C(C#N)=C/c2cnn(C)c2)CC1	491107568	VUFBWYKFNDYYSD-BRSWLGOBSA-N	315.421	1.564	50	20	DDGD	
CCOC(=O)NN=Cc1c(C)nn(C)c1OCC(F)(F)F	493242912	CYBODFJEHIKRAD-UHFFFAOYSA-N	308.260	1.750	50	20	DDGD	
COC1CCC(=NNC(=O)CCNC(=O)OC(C)(C)C)CC1	495009689	BTLCSIPLNUUISG-UHFFFAOYSA-N	313.398	1.962	50	20	DDGD	
Cc1ccnc(NNC(=O)Cc2ccc(-c3nn[nH]n3)cc2)c1	822374501	ZPWJQRVWDZFREF-UHFFFAOYSA-N	309.333	1.256	50	20	DDGD	
COC(=O)c1ccccc1CCC(=O)NNC(=O)OC(C)(C)C	494161555	ZVBAMPLNEDADBI-UHFFFAOYSA-N	322.361	1.962	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cc1cccnc1)c1cccs1	728798221	GPKWDGVQIKBQCV-JTQLQIEISA-N	320.443	1.942	50	20	DDGD	
CN(C)CC1(C(=O)NNC(=O)NCc2ccc(Cl)cc2)CC1	822329781	OSRGNBQGQBANOC-UHFFFAOYSA-N	324.812	1.512	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1CCCC1=NNC(=O)c1cnccn1	494399742	OHCFBDQKQQKRSR-JTQLQIEISA-N	319.365	1.640	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)N[C@H]1C=CCC1	821091436	BUPQXDJAQQKXBZ-JTQLQIEISA-N	320.305	1.023	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCC1Cc2ccccc2C1	826030962	YLHBHYKVXKADEW-XHDPSFHLSA-N	317.389	1.157	50	20	DDGD	
CCOC(=O)NNC(=O)c1nn(-c2ccccc2CC)cc1O	493008465	GWUZPKYZCXOMCQ-UHFFFAOYSA-N	318.333	1.531	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(F)c(C(=O)NNC(=O)NC(C)C)c1F	824404623	UGDUMRJMWYVHNT-UHFFFAOYSA-N	316.264	1.534	50	20	DDGD	
CO[C@H](C)c1nc(=NC(=O)NNC(=O)OC(C)(C)C)s[nH]1	496906615	GNAKMDBFEOQMHO-ZCFIWIBFSA-N	317.371	1.229	50	20	DDGD	
CCOC(=O)N[C@@H](C(=O)NNc1ccc([N+](=O)[O-])cc1)C(C)C	493356021	IEIOPSPQUSYWIA-GFCCVEGCSA-N	324.337	1.809	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@H]3CCN(C)C(=O)C3)nc12	828366982	FWNOGBKREIBSOW-JTQLQIEISA-N	318.402	1.916	50	20	DDGD	
CC(C)[C@@H]1CN(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CCS1	827289333	ROAMVMNTMSDDOV-WOPDTQHZSA-N	315.439	1.226	50	20	DDGD	
CC(C)(C)c1csc(CNCc2ccc(B(O)O)cc2F)n1	585022423	NUWQUTDBOKEWTH-UHFFFAOYSA-N	322.214	1.549	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@H]2CO[C@@H](C)C2)cc1F	828439580	HUZBSPPQUFEOPI-WCBMZHEXSA-N	311.313	1.416	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2C[C@H]2C(=O)O)ccc1Br	738461447	CWCHUAOABNRTQP-DTWKUNHWSA-N	313.151	1.921	50	20	DDGD	
OB(O)c1ccccc1CNC1CCC2(CCOCC2)CC1	585025883	GAGNYVFQRNFMCD-UHFFFAOYSA-N	303.211	1.195	50	20	DDGD	
CSCCNC(=S)NNC(=O)/C=C\c1cccc(O)c1	492736494	OGSXBTGZLANIIW-WAYWQWQTSA-N	311.432	1.264	50	20	DDGD	
O=C(NCc1ccc([N+](=O)[O-])cc1)NNc1ccc(F)cn1	731359865	QDMIGIWYOOMUDR-UHFFFAOYSA-N	305.269	1.955	50	20	DDGD	
COc1ccnc(NNC(=O)NCC[C@H]2C[C@H]3CC[C@H]2O3)n1	838752450	HDPJBHKJKPHKOC-HBNTYKKESA-N	307.354	1.069	50	20	DDGD	
CN(C)c1cc(C(=O)NNc2cccc(C(=O)O)c2)ccn1	833692271	ZLQRZBWSKLPGEK-UHFFFAOYSA-N	300.318	1.603	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1c(C)cccc1Cl	837765919	HTHHTDWMGYFBJW-SECBINFHSA-N	312.753	1.751	50	20	DDGD	
CON1CCC(=NNC(=O)COc2cc(C)cc(C)c2)CC1	834922535	IAPHLKBKRUOKDR-UHFFFAOYSA-N	305.378	1.812	50	20	DDGD	
CCOc1cccc(N2CCN(S(=O)(=O)CCl)CC2)n1	830419246	QSFZGGRTYURYBS-UHFFFAOYSA-N	319.814	1.128	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)CCOc1ccccc1	834950751	VHRMBAVLUXLACT-UHFFFAOYSA-N	301.350	1.526	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H]2CC[C@H](C(N)=O)C2)cc1	838729552	WKQFEKZKLQYBQK-CMPLNLGQSA-N	306.366	1.365	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)c1ccc2nc(O)[nH]c2c1	733810059	RIJVEUVAWPDDCD-UHFFFAOYSA-N	320.312	1.969	50	20	DDGD	
CCn1cc(C(=O)NNc2nnc(C)c(O)n2)c2ccccc21	732264842	YSGJCFRQKRUWDZ-UHFFFAOYSA-N	312.333	1.617	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@@H]2CCc3cc(O)ccc3C2)cn1	831181267	IUKCQDNRKSRVRR-KNDGBBJPSA-N	322.368	1.706	50	20	DDGD	
Cc1ncccc1C(=O)NNC(=O)COc1ccccc1F	730998407	YMELOQFSWGITMW-UHFFFAOYSA-N	303.293	1.369	50	20	DDGD	
CC(C)(C)n1nnc(CC(=O)NNc2ccccc2Cl)n1	830786172	JXACNHFNFHGQMX-UHFFFAOYSA-N	308.773	1.767	50	20	DDGD	
CC[C@@H]1C[C@H]1CNC(=O)NNC(=O)COc1ccc(C)cc1	838664480	AYBFLYWJGBIQOU-OLZOCXBDSA-N	305.378	1.750	50	20	DDGD	
COc1ccc(CN2CC[C@H](B(O)O)C2)cc1OC(F)F	585077776	YCZVDNQDOFLGBK-JTQLQIEISA-N	301.098	1.345	50	20	DDGD	
CC(CS(=O)(=O)c1ccccc1)=NNC(=O)c1ccc[nH]1	735407234	YNPZVSQZUWMCKL-UHFFFAOYSA-N	305.359	1.594	50	20	DDGD	
CCCCOc1ccc(/C=C/C(=O)NCB(O)O)cc1OC	585058792	PYBUDCCZYNJZNY-SOFGYWHQSA-N	307.155	1.016	50	20	DDGD	
CCCC[C@H](NC(=O)c1cc(B(O)O)ccc1F)C1CCC1	584958894	URAJLDVOOVMOHY-HNNXBMFYSA-N	307.174	1.594	50	20	DDGD	
O=C(CSC(F)F)NNC(=O)Nc1ccc2c(c1)OCO2	831943685	FCRQSCFTXBMKQX-UHFFFAOYSA-N	319.289	1.524	50	20	DDGD	
CC(C)(CC(=O)O)CC(=O)NNC(=O)c1ccc(Cl)nc1	833454484	KUEBFQGIOSXDHF-UHFFFAOYSA-N	313.741	1.387	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCCCN(C)C)c1F	837060556	NHUNJOSKOXVDDF-UHFFFAOYSA-N	311.357	1.787	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H](C)CC(=O)O)c1	832926678	ZIVVRKLFYPIZGN-JTQLQIEISA-N	309.391	1.732	50	20	DDGD	
CCOC(=O)[C@@H](CC(=O)NNc1cc(C)cc(C)c1)C(C)=O	830786359	NWMZUJKLCCYWGO-AWEZNQCLSA-N	306.362	1.905	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccn(-c2cc(F)cc(F)c2)n1	910181243	AIVGNXFEMGEJTE-SECBINFHSA-N	310.304	1.108	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(C#N)c2)cc1	916830808	YFZYGUPKAWXZRS-UHFFFAOYSA-N	322.324	1.266	50	20	DDGD	
O=C(NNC(=O)N[C@H]1CC=CCC1)Nc1ccc2c(c1)OCO2	838480349	FFWHCAGWLWQZOH-JTQLQIEISA-N	318.333	1.860	50	20	DDGD	
C[C@@H]1C[C@@H](CNC(=O)NNC(=O)CCc2ccccc2)[C@@H](C)O1	840436366	OVNBKHYKNABAEL-NFAWXSAZSA-N	319.405	1.763	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1c[nH]c2ccc(F)cc12	843650272	AIPHOALDOCGWFD-SKDRFNHKSA-N	319.336	1.422	50	20	DDGD	
CCn1c(NNC(=O)/C=C(/C)COC)nc2ccccc2c1=O	845148390	WCPQWDHJLKWQOH-LUAWRHEFSA-N	316.361	1.452	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@H]1CCCN2CCCC[C@H]12	847442410	JLAHLQWVTKGFKF-NWDGAFQWSA-N	312.414	1.742	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1C(=O)NNc1ccccc1S(N)(=O)=O	842256877	KEWMBDXYIBEVMT-MNOVXSKESA-N	311.407	1.603	50	20	DDGD	
N#Cc1ccc(NNC(=O)C2(n3cnnn3)CCCCC2)cc1	845854566	HBMGZYLQXIQXDP-UHFFFAOYSA-N	311.349	1.347	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H](C(C)C)N1Cc2ccccc2C1=O	911437985	CSNPONOOJIFTMA-OAHLLOKOSA-N	319.405	1.012	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc(Cl)cc1OC	917745426	VXLHGQBATCFEDV-MRVPVSSYSA-N	320.798	1.704	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCc2ccccc2CC1	744402605	UYRNICZUEYBHBQ-UHFFFAOYSA-N	303.406	1.281	50	20	DDGD	
C[C@H]1CCCc2ncc(C(=O)NNC(=O)Cc3ccncc3)n21	844416082	XVKNJZJHYIJZNU-NSHDSACASA-N	313.361	1.179	50	20	DDGD	
Cc1nc2c(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)cccc2o1	843659602	YDEJFWSRKCAZJE-SCZZXKLOSA-N	303.318	1.322	50	20	DDGD	
CC(=O)NNC(=O)COc1cccc(NC(=O)c2ccco2)c1	916743747	RQLCUVDQPLIHPQ-UHFFFAOYSA-N	317.301	1.078	50	20	DDGD	
NCC(F)(F)CNC(=O)NNC(=O)c1ccc(Cl)cc1F	841971290	HAHMITBUVHGRLG-UHFFFAOYSA-N	324.690	1.017	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)CC(C)(C)C)C(=O)N2C	844582934	QIKXHJQLQKTCMU-UHFFFAOYSA-N	303.362	1.928	50	20	DDGD	
CC(C[C@H]1CCCC(=O)N1)=NNC(=O)Cc1csc(C)n1	841609704	FKVSSRCYIPZLQP-LLVKDONJSA-N	308.407	1.545	50	20	DDGD	
CC[C@@H]1COC(C)(C)CN1[C@H](C)C(=O)NNC(=O)CC(C)C	844384819	HTBDGOLKTCGBLM-CHWSQXEVSA-N	313.442	1.458	50	20	DDGD	
O=C(O)CCOc1cccc(C=NNC(=O)c2cnccn2)c1	746682015	JTCNEIDKTXBLIA-UHFFFAOYSA-N	314.301	1.094	50	20	DDGD	
CCN(CC)c1ccc(C=NNC(=O)C(=O)NC(C)C)cc1	744812354	LRWIPORHFDKGGI-UHFFFAOYSA-N	304.394	1.508	50	20	DDGD	
COCCNCCNC(=O)NNc1c(F)cccc1Cl	841968019	KVWBWTYOTXURRC-UHFFFAOYSA-N	304.753	1.341	50	20	DDGD	
O=C(CN1CCCNC1=O)NNc1ccc(OC(F)F)cc1	748643156	GBCYHXKOTDAXID-UHFFFAOYSA-N	314.292	1.146	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1	911444463	FDQGJFCKLLSJST-ZCFIWIBFSA-N	305.693	1.345	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNC(=O)COc1ccc(C)cc1	841376885	ZCVNDBPFUDBOIG-CQSZACIVSA-N	308.378	1.582	50	20	DDGD	
C=CCNC(=S)NNC(=O)C[C@](O)(CC)c1ccccc1	840237222	HWURVCFRUBOAFL-OAHLLOKOSA-N	307.419	1.356	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2ccc(C(F)(F)F)cc2)CN1	747605222	SXCBACZVZUFDHR-QMMMGPOBSA-N	301.268	1.675	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(OC(F)F)cc1	843648700	RBVZFXUIBKGEER-KCJUWKMLSA-N	314.288	1.474	50	20	DDGD	
C[C@]1(CN[C@@H]2C(=O)NCC23CCOCC3)C[C@H]1Br	926737128	NIPBVQNLYRROMZ-CKYFFXLPSA-N	317.227	1.045	50	20	DDGD	
Cc1ccc(NNC(=O)NCCN2CCNCC2)c(Cl)c1	841920235	ITQDCUVLQYUXJJ-UHFFFAOYSA-N	311.817	1.180	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)[C@H]1Cc2ccccc2S1	740746929	ZRDLJVJWTZLHCT-SNVBAGLBSA-N	312.358	1.513	50	20	DDGD	
CCOC(=O)C[C@@H](CNC(=O)NNc1ncccn1)CC(C)C	845389316	QSFIGIXZNBIISG-LBPRGKRZSA-N	323.397	1.718	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C[C@H](C)n2ccnc2)cc1	920519129	GLFQJUFGOIADMX-LBPRGKRZSA-N	300.362	1.858	50	20	DDGD	
COc1ccc(OC)c(C(=O)NNC(=O)Cc2ccncc2)c1	747322806	NOZDIWSCVHOTMW-UHFFFAOYSA-N	315.329	1.103	50	20	DDGD	
Cc1noc(C)c1[C@H](C)C(=O)NNC(=O)c1ccccc1O	749930794	PIHDNHQHWRDTMV-QMMMGPOBSA-N	303.318	1.562	50	20	DDGD	
CC(C)(N)CNC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	841950762	PGNYRTNNHSRUOY-UHFFFAOYSA-N	322.453	1.661	50	20	DDGD	
CC(C[C@H]1CCOC1)=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1	751522410	SKENPIFIWVRZPG-SNVBAGLBSA-N	306.322	1.709	50	20	DDGD	
C[C@@H]1SCCN(C(=O)NNC(=O)c2cccc(F)n2)[C@@H]1C	852709768	FMWPQRARUFLUAE-BDAKNGLRSA-N	312.370	1.401	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1cccc(C(=O)O)c1)[C@H]1CCOC1	853424855	AHPHHTBBSWHJDP-STQMWFEESA-N	306.318	1.152	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@@H](C)[C@@H](CO)C1	857365739	RQRWQOBCTRIXCG-ZWNOBZJWSA-N	313.829	1.829	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cccc(OC(F)F)c1	755816792	IJEAKTQAFQNUBP-UHFFFAOYSA-N	303.265	1.477	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cc1ccc(O)c(F)c1)C1CC1	855095039	HXXVEEQSHKNQRO-QMMMGPOBSA-N	311.382	1.368	50	20	DDGD	
O=C(NCCOCCF)NNC(=O)c1ccc2ccccc2n1	852715429	MSVXBCLRKNGPBK-UHFFFAOYSA-N	320.324	1.165	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ncc2ccccc2c1O	855005144	CFBYDPBUYOFCKM-MWLCHTKSSA-N	315.329	1.126	50	20	DDGD	
COc1c(C(=O)NNc2cc(Cl)nc(C)n2)c(C)nn1C	857540981	CCLGAIFLYCCLRD-UHFFFAOYSA-N	310.745	1.246	50	20	DDGD	
COC(=O)[C@@H](C)Oc1ccc(/C=C(/C#N)S(C)(=O)=O)cc1	758425679	GDDUCJMWLPAJKU-GARZTLJTSA-N	309.343	1.536	50	20	DDGD	
COc1cccc(NCC(=O)NN=C2CN(C(C)C)C[C@@H]2C)c1	754257065	GYHPPJCTFRACGH-ZDUSSCGKSA-N	318.421	1.939	50	20	DDGD	
Cc1ccc(C)n1-c1ccc(C(=O)NN=Cc2cn(C)nn2)cc1	755486705	YKKHAQXLOHPRGD-UHFFFAOYSA-N	322.372	1.987	50	20	DDGD	
CCC(C[C@@H](C)CC)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	920384484	LTCOPYQNUXWZOM-CMPLNLGQSA-N	303.428	1.675	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccsc1Cl	854388384	IQANITKQJVWMAE-UHFFFAOYSA-N	320.798	1.952	50	20	DDGD	
Cn1ccc(CC(=O)OC[C@@H](CBr)C2CC2)n1	859632043	ZCIOAMXFBFSKSL-SNVBAGLBSA-N	301.184	1.927	50	20	DDGD	
C#CCOc1ccc(NC(=O)NNC(=O)Cc2ccncc2)cc1	756480387	VZQLPKIKWPCIAN-UHFFFAOYSA-N	324.340	1.489	50	20	DDGD	
N#CCOc1ccccc1C(=O)NNC(=S)NCC1CCC1	855092040	NMHQRYSMICEGHV-UHFFFAOYSA-N	318.402	1.498	50	20	DDGD	
C[C@H]1CCCC[C@H]1CNC(=O)NNC(=O)c1cccc(F)n1	852710248	LFAMKKCRTZGXCS-QWRGUYRKSA-N	308.357	1.991	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2ccc(Cl)c(C(F)(F)F)c2)N1	855018540	UTVLVZGAHJXPAG-QMMMGPOBSA-N	307.659	1.690	50	20	DDGD	
CO[C@](C)(C(=O)NCCSSC)C(=O)OC(C)(C)C	854389402	KQYNAAQDEITRTO-GFCCVEGCSA-N	309.453	1.861	50	20	DDGD	
O=C(NNC(=O)c1cnn(C2CCC2)c1)NC1CCCCC1	929246037	JSNZCXOXNFOFIT-UHFFFAOYSA-N	305.382	1.885	50	20	DDGD	
C[C@H]1Cc2cc(C(=O)NNC(=S)N[C@H](C)C3CC3)ccc2O1	855095333	MKRADSAEPZCAOW-VHSXEESVSA-N	319.430	1.917	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(C(N)=O)nn1)c1cccc(Cl)c1	757404092	JROMZXBZDKMTGY-QMMMGPOBSA-N	319.752	1.476	50	20	DDGD	
C[S@](=O)C1(CNC(=O)NC[C@@]2(C)C[C@@H]2Br)CC1	856853564	BOUIUMUVXRYSSA-BVMSISANSA-N	323.256	1.370	50	20	DDGD	
CN1CC[C@@H]1CNC(=O)NNC(=O)c1cccc2ccccc12	925413012	ZWBVTAKZHLEWRA-CYBMUJFWSA-N	312.373	1.488	50	20	DDGD	
COC[C@@H](NC(=O)NNc1ccc(Cl)cn1)[C@H]1CCCO1	852288060	KGVJSKDROPMGPK-GHMZBOCLSA-N	314.773	1.555	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2c[nH]nc2C)cc1[N+](=O)[O-]	755335382	GEFULYNQWXNXFG-UHFFFAOYSA-N	318.293	1.401	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc2c(cnn2C(C)C)c1	756620588	KZPVPUWJVKKQFF-UHFFFAOYSA-N	319.365	1.806	50	20	DDGD	
COC[C@H](CNC(=O)NNc1ccc([N+](=O)[O-])cc1F)OC	853972959	HTHFVVLRXAYUBW-VIFPVBQESA-N	316.289	1.021	50	20	DDGD	
COc1ccccc1[C@@H](C)CC(=O)NNC(=O)c1cc[nH]n1	855358424	JMZIREMFOOGBHE-JTQLQIEISA-N	302.334	1.373	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccccc1C[S@@](C)=O	930846470	UWXKDHMTBDQCJX-JOCHJYFZSA-N	321.402	1.521	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)N[C@@H]2CCCCC23CCCC3)N1	858479022	HICKGGMHRAZFCX-NWDGAFQWSA-N	322.409	1.098	50	20	DDGD	
CCn1cc(-c2nc(-c3cccc(B(O)O)c3)no2)c(C2CC2)n1	867055051	XEDLPXIYWRDSPV-UHFFFAOYSA-N	324.149	1.177	50	20	DDGD	
CCC(=NNC(=O)C(=O)NC1CC1)c1c(F)cccc1Cl	767760684	CRQRXWSQUBRMSY-UHFFFAOYSA-N	311.744	1.988	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ncc(Br)cn1	930135214	VOKYJLISRUYJGI-UHFFFAOYSA-N	313.155	1.190	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(C)n([C@@H](C)C2CC2)n1	764465035	VQDBUNBCUZCVJW-JTQLQIEISA-N	316.365	1.718	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2cccnc2N)n1	764657627	BOFKHWCLVOWKHK-UHFFFAOYSA-N	316.390	1.313	50	20	DDGD	
O=C(Cc1cc(F)cc2c1OCOC2)NNC(=O)c1ccc[nH]1	761816583	JKOAXTFELPYSOT-UHFFFAOYSA-N	319.292	1.024	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1	867224895	GCGGLTCTPUYGKL-ZJUUUORDSA-N	324.830	1.012	50	20	DDGD	
COc1nccnc1NNC(=O)c1c[nH]nc1-c1cccnc1	764464737	SRAQGEJWLMHGQE-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
CCOC(=O)Nc1ccc(NCc2ccccc2B(O)O)cc1	864019632	KRULJQPEYHGBET-UHFFFAOYSA-N	314.150	1.547	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNc2ncc(F)cn2)ccc1F	760908443	QFFBRQFIQQZKDA-UHFFFAOYSA-N	307.260	1.470	50	20	DDGD	
Cn1c(=O)n(C/C=C\C#N)c(=O)c2ccc(C(F)(F)F)nc21	763302001	AAISTVOMRGEXLA-IHWYPQMZSA-N	310.235	1.194	50	20	DDGD	
CN(N=C1CCC[C@H](N2C(=O)c3ccccc3C2=O)C1)C(N)=O	767907530	JCIUTLYIUGLGTO-NSHDSACASA-N	314.345	1.592	50	20	DDGD	
CN(NC(=O)c1cnn(CCC#N)c1-c1ccccc1)C(N)=O	760482472	AQYGPPAVMGDWGZ-UHFFFAOYSA-N	312.333	1.119	50	20	DDGD	
N#Cc1c[nH]c(C(=O)NNC(=O)CSc2ccccc2O)c1	763478386	KZJBRTSULYZBRF-UHFFFAOYSA-N	316.342	1.145	50	20	DDGD	
CN(CC(=O)NNC(=O)Cn1ccc2ccccc21)C1CCC1	863867063	UJTKYAJYLCRMEO-UHFFFAOYSA-N	314.389	1.273	50	20	DDGD	
Cc1cccc(NNC(=O)COCCOc2ccccc2)n1	862524707	RLBSMTLLRVLIQW-UHFFFAOYSA-N	301.346	1.929	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CCc2cnn[nH]2)c1C	864453076	WRWPNDXWKNHEBB-UHFFFAOYSA-N	318.406	1.372	50	20	DDGD	
Cc1cc(C)c(C=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)[nH]1	760233434	TUOSHFQDHSOLHF-UHFFFAOYSA-N	301.306	1.886	50	20	DDGD	
C[C@@H]1CCc2c(C(=O)NNC(=O)c3cn[nH]c3)csc2C1	862473382	PBAQNNPFRGXUPP-MRVPVSSYSA-N	304.375	1.671	50	20	DDGD	
Cc1ccc(C(=O)NN[C@H](C)C(F)(F)F)cc1S(C)(=O)=O	862309273	JRNBOQVCMIDUSR-MRVPVSSYSA-N	324.324	1.584	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NCCN2CCCC2=O)nn1	1118240558	ITDIJSBPQIIELI-UHFFFAOYSA-N	320.397	1.023	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc([S@](C)=O)cc2)n1	1116651706	RNNYZWWRWYZOLB-QFIPXVFZSA-N	321.362	1.371	50	20	DDGD	
C[C@H](C(=O)NNc1nnc(-c2ccccn2)s1)n1ccnc1	1116754031	JMYGCJRJCSZJEF-SECBINFHSA-N	315.362	1.501	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCCOCC(=O)OC	875847669	USQYWMBSAHOARI-UHFFFAOYSA-N	309.366	1.373	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(F)c(OC)c(F)c1OC	879790641	DRFUMVOZHAKCJB-UHFFFAOYSA-N	319.308	1.597	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H](C(C)C)N(C)C	873769971	VBROPJWZMPLDSH-CYBMUJFWSA-N	324.450	1.599	50	20	DDGD	
COC(=O)CCc1ccc(NC(=O)NNc2cnccn2)cc1	770026219	JPIZVHWGWOGBNK-UHFFFAOYSA-N	315.333	1.731	50	20	DDGD	
CS[C@H](C)CNC(=O)NNC(=O)c1nc2ccccc2s1	872949323	IGJDRTUAMJWQKP-MRVPVSSYSA-N	324.431	1.992	50	20	DDGD	
CC(=O)N[C@@H](CC(C)C)C(=O)NNc1nc2ccccc2[nH]1	870212501	OLJBADVWVFLFCU-ZDUSSCGKSA-N	303.366	1.557	50	20	DDGD	
COCC1(CC(=O)NNC(=S)Nc2ccccc2OC)CC1	873770801	YXAMMZOGFRSKLH-UHFFFAOYSA-N	323.418	1.830	50	20	DDGD	
COC(=O)CNC(=O)NN=CCCc1ccc(OC)cc1C	777446563	ONFYVAGSGBKACI-UHFFFAOYSA-N	307.350	1.394	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNc1ccnc(Br)c1	771552514	LSNDOQMNKCHWML-UHFFFAOYSA-N	324.182	1.897	50	20	DDGD	
C[C@@H](O)c1cn(CC(=O)NNc2ccc(Cl)cc2F)nn1	885108081	VIGNSKQZQYZNNM-SSDOTTSWSA-N	313.720	1.267	50	20	DDGD	
CN1CCN(CC(=O)NNc2c(F)cccc2Cl)CC1	771673603	HCIIDENFHVAPFF-UHFFFAOYSA-N	300.765	1.170	50	20	DDGD	
COC(=O)c1coc(C(=O)COC(=O)/C(C#N)=C/C2CC2)c1	786669261	KEOHEUCKJOAMDA-ONNFQVAWSA-N	303.270	1.652	50	20	DDGD	
C[C@@H]1OCC[C@]12CN(S(=O)(=O)CCCCl)C[C@@H](C)O2	882140774	QBEXALOHRJIQPI-WOPDTQHZSA-N	311.831	1.213	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cc(C#N)ccc1OC(F)F	782569758	RQGLNRMPLMNOBW-UHFFFAOYSA-N	312.276	1.968	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)C2CCOCC2)c(C)c1	883058746	ABOLDTXXELJNDF-UHFFFAOYSA-N	322.430	1.970	50	20	DDGD	
CC(C)N1CC[C@@H](CNC(=O)NNc2ncncc2Cl)C1	780999189	AJYLHNHXCPWZEX-JTQLQIEISA-N	312.805	1.486	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)OCCCn2ccnc2)cc(C#N)n1C	782630270	ZGGANSOPCXJQAE-NVNXTCNLSA-N	323.356	1.942	50	20	DDGD	
CCc1cncc(C(=O)NNC(=O)Cc2ccccc2F)c1	789937572	QGHQNFVALXCZKQ-UHFFFAOYSA-N	301.321	1.787	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H]1CCC(=O)c2cccn21	788720788	QLEDCWKQOPIMDS-CQSZACIVSA-N	311.341	1.775	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cccnc2)c(-c2ccoc2)n1	789867543	QCQZNRILZDLJDG-UHFFFAOYSA-N	311.301	1.150	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(Cl)cc1F	783521259	PDQLXUNLUHZSRF-SECBINFHSA-N	302.733	1.981	50	20	DDGD	
COC(=O)c1ccc(/C=C(\C#N)C(=O)[C@@H]2CCCOC2)nc1	899345813	VOWALIFZZHVPFY-GKWYLQRDSA-N	300.314	1.771	50	20	DDGD	
CO[C@]1(C(=O)NNc2cc(C#N)cc(Cl)n2)CCSC1	897283635	HNIHLOQBVXKKFX-GFCCVEGCSA-N	312.782	1.572	50	20	DDGD	
O=C(NCCn1ccnn1)[C@@]12CC[C@@H](C[C@H]1Br)C2	782831792	YKHXXYJLYTYINK-HOSYDEDBSA-N	313.199	1.348	50	20	DDGD	
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)/C(C#N)=C\C1CC1	786681942	YTFRVKPZNIFHIB-ZABLBMFASA-N	303.362	1.833	50	20	DDGD	
COc1ccc([C@H](NC(C)C)C(=O)NNc2ccncn2)cc1	897884586	ZBSHESVXZOVEFD-HNNXBMFYSA-N	315.377	1.668	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)C1CN([C@@H]2CCOC2)C1	896806222	IHRCNEHKHURONR-SNVBAGLBSA-N	315.295	1.268	50	20	DDGD	
CO[C@H](C(=O)NNc1nc2ccccc2[nH]1)c1cnn(C)c1	799101619	PFPANFPIPWCWCP-LBPRGKRZSA-N	300.322	1.127	50	20	DDGD	
CCCN(C)CC(=O)NNC(=O)c1cc(C)nc2ccccc12	799010855	SJRJEANIOJNVIO-UHFFFAOYSA-N	314.389	1.646	50	20	DDGD	
C[C@@H](NC(=O)CCc1ccccc1)C(=O)NN=c1cc[nH]cc1	799718569	FYAXLZKRKLCAAW-CYBMUJFWSA-N	312.373	1.084	50	20	DDGD	
CCOc1cccc(NC(=O)NNC(=O)c2cccc(C)n2)n1	797645297	LWPJKQDWYIIRPJ-UHFFFAOYSA-N	315.333	1.650	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=C2CCOC[C@@H]2C)n1	794465387	TWNDKMWTEHXFNM-VIFPVBQESA-N	308.407	1.714	50	20	DDGD	
O=C(CN1CCc2ccccc21)NNc1nc2ccccn2n1	791242487	GIAIJRMUIGZMKJ-UHFFFAOYSA-N	308.345	1.235	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1NCC(=O)NNC(=O)Cc1nc(C)cs1	794576810	ZFQILRWCCUZYOA-NEPJUHHUSA-N	324.450	1.310	50	20	DDGD	
CN(C)Cc1ccsc1C(=O)NNc1nc2ccccn2n1	791262481	WFJMIKTYLDTGEG-UHFFFAOYSA-N	316.390	1.609	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1csc(O)n1)c1ccccc1	792157036	MLBWNTGKSFORSJ-SNVBAGLBSA-N	305.359	1.804	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)NCC2CC2)c1F	795588523	VPLXPQWMPFMHJM-UHFFFAOYSA-N	309.341	1.507	50	20	DDGD	
Cc1cnn(C)c1C=NNC(=O)Cc1nc2ccccc2n1C	794874087	YBOYGSJPCIBHTJ-UHFFFAOYSA-N	310.361	1.308	50	20	DDGD	
Cn1ccc2c(C(=O)NNc3nc4ccccn4n3)cccc21	791243253	MUDJPIFRDRMTMD-UHFFFAOYSA-N	306.329	1.978	50	20	DDGD	
CCN1CCC[C@@H]1CNC(=S)NNC(=O)Nc1ccccc1	1317777053	KXZLFTXFFVTOFM-CYBMUJFWSA-N	321.450	1.672	50	20	DDGD	
Nc1cnnc(NNC(=O)NCCc2cccc(O)c2)c1Cl	1319783238	ZPZIRADWVJHUKI-UHFFFAOYSA-N	322.756	1.287	50	20	DDGD	
CCC(N)(CC)CNC(=O)NNC(=O)c1ccc(OC)cc1	1325373605	XMDLIDTVRFGSFA-UHFFFAOYSA-N	308.382	1.157	50	20	DDGD	
CN(C)C(=O)N1CCN(C[C@H](CBr)C2CC2)CC1	701859444	QVXKTEIQJVKHGJ-LBPRGKRZSA-N	318.259	1.707	50	20	DDGD	
C[C@@]1(CNC(=O)N2CC(O)(C3CC3)C2)C[C@H]1Br	1328572670	HDNLKLUXLZCBQW-KOLCDFICSA-N	303.200	1.326	50	20	DDGD	
O=C(NNC(=O)c1csc(Nc2ccccn2)n1)NC1CC1	1251963916	QVZNFNFIUNBHEM-UHFFFAOYSA-N	318.362	1.388	50	20	DDGD	
CCC(CC)(C(=O)O)C(=O)NNc1nncc(N)c1Cl	1332742068	DGHUXLUZOIHCAF-UHFFFAOYSA-N	301.734	1.046	50	20	DDGD	
CCCN1CCCC[C@H]1C(=O)NNC(=S)Nc1ccccn1	1330313484	VLDUTUNRBJITEW-LBPRGKRZSA-N	321.450	1.664	50	20	DDGD	
CC1(CNC(=O)C(=O)NC[C@@]2(C)C[C@H]2Br)CC1	1331079990	ZSSVMNPDEHRXJT-PRHODGIISA-N	303.200	1.192	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H]2CCC[C@H]2OC)cc1	1336008811	CRCNDFKZSMREOY-ZIAGYGMSSA-N	306.362	1.660	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1338694432	VNUJOFNXGFNFIE-UHFFFAOYSA-N	301.350	1.010	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC(=NNC(=O)c2cccnn2)CC1	1331344817	HPQQMNDLBWHNFP-UHFFFAOYSA-N	319.365	1.593	50	20	DDGD	
C[C@](O)(CNC(=O)NNC(=O)C1CCCC1)c1cccc(F)c1	1263100376	MGEXHRJAWQCBBM-INIZCTEOSA-N	323.368	1.554	50	20	DDGD	
Cc1ncccc1CC(=O)NNC(=O)c1cc2c(s1)CCC2	1346330586	VKDAYQJQOCXVJZ-UHFFFAOYSA-N	315.398	1.944	50	20	DDGD	
C[C@@H]1Nc2ccnn2[C@H](C)[C@@H]1CCC(=O)NNC(=O)C1CCC1	1345933433	YIQJRMGLZDGLPR-DMDPSCGWSA-N	319.409	1.602	50	20	DDGD	
Cc1ccccc1NNC(=O)C(=O)Nc1cc(C(=O)O)n(C)c1	1600584254	AHFYMDUYDJGHQH-UHFFFAOYSA-N	316.317	1.114	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CCSCC(=O)O	1607885117	HRGHXVVGLQEGRM-UHFFFAOYSA-N	311.363	1.356	50	20	DDGD	
O=C(CCc1ccccc1C(=O)O)NNc1ncncc1Cl	1608318364	JVSLAADNNHIWRS-UHFFFAOYSA-N	320.736	1.904	50	20	DDGD	
O=C(O)Cc1occc1C(=O)NNC(=O)Cc1ccccc1F	1602155411	RGEOHPKNAOAVAN-UHFFFAOYSA-N	320.276	1.050	50	20	DDGD	
CCCc1c(C(=O)NNc2ncncc2F)[nH]c(C)c1C(=O)O	1609983947	OCPNSZNMDCUTMG-UHFFFAOYSA-N	321.312	1.660	50	20	DDGD	
CC(=O)N[C@](C)(C(=O)NNc1cccc(C(=O)O)c1C)C(C)C	1603035488	XVFPYZCFMRYKGP-INIZCTEOSA-N	321.377	1.687	50	20	DDGD	
Cc1c(C(=O)O)cc(CN2C[C@H]3[C@H](Br)[C@H]3C2)n1C	1607511372	ICOFWXWZCMOKCC-GDNZZTSVSA-N	313.195	1.857	50	20	DDGD	
CCOCc1nc(C)cc(NNC(=O)[C@H](C(=O)O)C(C)C)n1	1603843703	ZKDPUKUNLSAZEN-GFCCVEGCSA-N	310.354	1.121	50	20	DDGD	
O=C(O)Cc1cn([C@]2(Cl)C[C@H]2CCBr)nn1	1602149042	GDHXOHRFIUVVED-HZGVNTEJSA-N	308.563	1.602	50	20	DDGD	
C[C@H]1CCNC[C@@H]1NC(=O)NNc1ccc(C(=O)O)cc1F	1604760668	QVEJBPYWWUXHLO-UFBFGSQYSA-N	310.329	1.148	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)NN=C1CCCOCC1	1549320640	OYJUOTRQMVYGAN-DZGCQCFKSA-N	320.393	1.561	50	20	DDGD	
CC(C)c1nc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)cs1	1549319391	UUPYCYVEAIYMPZ-STQMWFEESA-N	322.434	1.580	50	20	DDGD	
O=C(NN=Cc1cc(F)ccc1F)[C@H]1CN2CCC[C@@H]2CO1	1549319357	UJJKSSOITJHVOE-TZMCWYRMSA-N	309.316	1.278	50	20	DDGD	
C[C@H](CBr)CN1CCC([C@@H]2OCC[C@H]2N)CC1	1575910815	BLGIHZOKCOLPGM-RTXFEEFZSA-N	305.260	1.846	50	20	DDGD	
C[C@@H]1NCCn2c(C(=O)NNc3cnc4ccccc4n3)ccc21	1576893627	ANAMGWGBPTXOCT-NSHDSACASA-N	322.372	1.852	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@H]1CCCS1)[C@@H](N)c1ccccc1	1575092598	PULDIAINKOXLKB-OLZOCXBDSA-N	321.446	1.756	50	20	DDGD	
N[C@H](CCNC(=O)NNc1cccnn1)Cc1ccccc1	1580127864	OFSUWFUCNVESJI-CYBMUJFWSA-N	300.366	1.063	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C1(C(=O)O)CCSCC1	1588642421	CYHXTTZPHIOIQA-UHFFFAOYSA-N	302.396	1.168	50	20	DDGD	
CC(C)Cn1ccc(C(=O)NNc2cccc(C(=O)O)c2)n1	1591523332	KKSYEUSUVQXFIW-UHFFFAOYSA-N	302.334	1.994	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCc2cccnc21	1593162636	VBVVKKRIFHEZGH-CYBMUJFWSA-N	321.344	1.435	50	20	DDGD	
CO[C@H](CNC(=O)NNc1ccc(C(=O)O)cc1F)C1CC1	1599049605	MAUJYQIMOYPVTE-GFCCVEGCSA-N	311.313	1.575	50	20	DDGD	
COCC1(C(=O)NNc2ccc(CC(=O)O)cc2)CCCC1	1599186782	ONXYIJYYHUNUQY-UHFFFAOYSA-N	306.362	1.964	50	20	DDGD	
Cc1cccc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)c1F	1592220737	JLYFFHCKSFEOHK-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
CC[C@@H](OC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C)C(=O)O	1595332274	SUPWVQREMCLFIQ-ZRVMKQEGSA-N	301.302	1.519	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)Nc1cccc2nccnc12	1594781842	JRPCOPRKYQKXHJ-UHFFFAOYSA-N	324.300	1.872	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1ccc(/C=C\C(=O)O)cc1	1776118031	PKXMWCHUOZKVHP-KOORZVIOSA-N	300.314	1.454	50	20	DDGD	
Cc1nc(NC(=O)NNC(=O)CCO)sc1-c1ccccc1	161142898	DSAPZFGMNWCFNS-UHFFFAOYSA-N	320.374	1.654	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(N2CCSCC2)c(C)c1	162366654	LAQAELVGWAOBSV-UHFFFAOYSA-N	308.407	1.721	50	20	DDGD	
CCNS(=O)(=O)[C@H]1CCN(C[C@@H](C)CBr)C1	152756959	XLUCTWAHMQLBQB-UWVGGRQHSA-N	313.261	1.031	50	20	DDGD	
C[C@H](CBr)CN(C)CCN(C)C1CCN(C)CC1	152743627	ULGVEYFHDFXDOA-CYBMUJFWSA-N	320.319	1.975	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1cc2occc2[nH]1	153081530	YKXAUCIPGVALIU-UHFFFAOYSA-N	313.313	1.860	50	20	DDGD	
O=C(NNc1nccc(N2CCOCC2)n1)c1cccc(F)c1	155529031	CNAHNKRGRWWQGM-UHFFFAOYSA-N	317.324	1.209	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2nc(C)cc(C)n2)c(F)c1	156259413	PJLRHTHUWZPEDH-UHFFFAOYSA-N	317.324	1.623	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccnn1C[C@@H]1CCOC1	159825440	WVJJFESECIEMCB-JTQLQIEISA-N	309.370	1.118	50	20	DDGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CCO[C@@H]2C[C@@H]21	813735194	XWTGVLOLBUSPAL-QWHCGFSZSA-N	301.795	1.630	50	20	DDGD	
O=S(=O)(CBr)N1CCC[C@H](c2ccn[nH]2)C1	127192278	AUNATIAHUAFLPE-QMMMGPOBSA-N	308.201	1.271	50	20	DDGD	
Cc1nonc1CC(=O)N(C)NC(=O)OCc1ccccc1	862288519	GGMSKTDHQCNTNY-UHFFFAOYSA-N	304.306	1.220	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc2ccccc2oc1=O	8301718	JVOJOVJWFOIVAT-UHFFFAOYSA-N	319.386	1.700	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1ccc(Cl)nc1	8415321	IWZQONBINPPOSI-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)c(F)c1	109859567	PLYZBSBMMMIKEL-QMMMGPOBSA-N	324.287	1.225	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCCC(N)=O)c1C	173015462	FFSOMXAYFJWTSH-NTEUORMPSA-N	302.378	1.414	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1ccc(F)c(F)c1	118968625	ADPXKKXRXIKXAX-UHFFFAOYSA-N	306.272	1.755	50	20	DDGD	
O=C(NNC(=O)c1ncccc1O)c1ccc2ccccc2n1	171238381	IIRJUWMLCBJOFM-UHFFFAOYSA-N	308.297	1.410	50	20	DDGD	
CCc1ncc(C(=O)NNC(=O)COc2ccc(F)cc2)s1	65095235	QHLTYCKXNMSPSZ-UHFFFAOYSA-N	323.349	1.685	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cccc3ncccc23)ccc1=O	106811890	KRLNKDCATMPYSG-UHFFFAOYSA-N	322.324	1.008	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1cc(F)c(F)cc1F)C(C)C	115719020	HPRGUCYCFRJAEU-LBPRGKRZSA-N	303.284	1.708	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C1CC1	54871210	IZYLTHLGLSTANF-PLWJUESGSA-N	302.330	1.330	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NNc1ccccc1[N+](=O)[O-]	65578767	HOZZAXJBFIDUJI-JTQLQIEISA-N	309.326	1.265	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)c1ccc(CN(CC)CC)o1	69298271	LAFBNOWWINOBCZ-GXTWGEPZSA-N	323.393	1.307	50	20	DDGD	
O=C(NCC(=O)N1CCc2ccccc21)NNc1ccccc1	114953228	SVLYZRYIJYMGIP-UHFFFAOYSA-N	310.357	1.902	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1ccc([N+](=O)[O-])s1	65177727	RWJKVMBCLGOQMJ-UHFFFAOYSA-N	310.291	1.394	50	20	DDGD	
O=C(CN1CSCC1=O)NNc1cc(F)c(F)cc1F	172090172	GHVIYBPQVLKBSH-UHFFFAOYSA-N	305.281	1.080	50	20	DDGD	
CN(C)[C@H]1CCC[C@H](NC(=O)NNc2ccc(Cl)nn2)C1	176628427	GPPMLMCACFVSEN-UWVGGRQHSA-N	312.805	1.629	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H](C)CN2CCCCC2)n1	175281317	GKJDNIRKEDZCDI-GFCCVEGCSA-N	322.413	1.294	50	20	DDGD	
COC(=O)CCCNC(=O)NNc1cc(F)c(F)c(F)c1	175171138	SZEOBBMEGUAVPD-UHFFFAOYSA-N	305.256	1.683	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc(-n3cncn3)c(C)c2)n1	173023875	YWKKRNUYJHSKEO-UHFFFAOYSA-N	323.360	1.739	50	20	DDGD	
CN(C)Cc1cccc(C(=O)NNC(=O)c2ccccc2O)c1	128608519	CUMWHFYDLXMEAA-UHFFFAOYSA-N	313.357	1.529	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)CCc2ccccc2)cc(=O)[nH]1	181571156	DDFVMVPYFNWGON-UHFFFAOYSA-N	313.357	1.331	50	20	DDGD	
COc1ccc([C@H](C)CC(=O)NNC(=O)Cc2cc[nH]n2)cc1	186085121	SBUDWKFUUIBZSG-LLVKDONJSA-N	316.361	1.302	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)c1ccccc1N(C)C	127491978	UMTBBZMAJVHAIG-CYBMUJFWSA-N	320.437	1.771	50	20	DDGD	
CCn1nc(C)c(NC(=O)NNc2cc(Cl)nc(N)n2)c1C	189839062	UDRNIBGIYPEINZ-UHFFFAOYSA-N	324.776	1.694	50	20	DDGD	
CC(C)(C)N1C[C@H](NC(=O)NNC(=O)c2ccccc2)CC1=O	79075951	YXTJXVFBUYVXQE-GFCCVEGCSA-N	318.377	1.030	50	20	DDGD	
C[C@H](C[S@@](C)=O)NC(=O)NNc1cc(F)c(F)cc1F	182596945	UYTUROZNFNNSFN-PXKKQCTMSA-N	309.313	1.497	50	20	DDGD	
COc1cccc(NNC(=O)c2cc(F)cc3[nH]cnc23)n1	180687327	CGLMNXMRVIAZLU-UHFFFAOYSA-N	301.281	1.863	50	20	DDGD	
O=C(NNc1ccncc1)[C@@H]1CN(Cc2ccccc2)CCO1	180540090	LZGGMBDEIUSCRE-INIZCTEOSA-N	312.373	1.426	50	20	DDGD	
O=C(CC1(N2CCOCC2)CCCC1)NNc1ccnc(F)c1	182483254	DBHPWPCGSMWHRE-UHFFFAOYSA-N	322.384	1.699	50	20	DDGD	
Cc1cc(Br)cc(C(=O)NNC(=O)N(C)C)c1	184003756	VNBVJAKSMHAPEP-UHFFFAOYSA-N	300.156	1.674	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNC(=O)c2cccn2C)ccc1C	78909979	NFLSHKJNEWDHOA-UHFFFAOYSA-N	314.345	1.367	50	20	DDGD	
C=CCc1ccc(OCC(=O)NNc2ncccn2)c(OC)c1	46577132	ZOICLLHYQMKCAJ-UHFFFAOYSA-N	314.345	1.736	50	20	DDGD	
CCOCCCC(=O)NNC(=O)c1c(C)nc2ccccn12	47063596	KLNAQELUKFZJBD-UHFFFAOYSA-N	304.350	1.220	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ccnc(F)c1)N1C[C@@H](C)O[C@H](C)C1	182503070	BKDTYYXQDCYWTA-JMSVASOKSA-N	324.400	1.798	50	20	DDGD	
CC(Cl)(Cl)C(=O)NNc1cccc(S(C)(=O)=O)c1	181074013	VYQODGZTILBVOD-UHFFFAOYSA-N	311.190	1.727	50	20	DDGD	
Cn1ccc(C(=O)NNc2ncc(Cl)cc2Cl)cc1=O	132448224	XMQNQMYOJUMYSZ-UHFFFAOYSA-N	313.144	1.844	50	20	DDGD	
CC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(C)o2)cc1	84461257	PEGSTXJSABFPFS-UHFFFAOYSA-N	322.342	1.414	50	20	DDGD	
O=C(CN1CCCCCC1=O)NNC(=O)NC1CCCCC1	42084297	WDFSPCXJZOGIQI-UHFFFAOYSA-N	310.398	1.052	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)NCc2ccoc2)c1	47089039	AIACJEFVHDERAB-UHFFFAOYSA-N	317.345	1.806	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)N[C@H]1C[C@H]1C1CCCCC1	83233796	QQZUKILRFQJVHT-GJZGRUSLSA-N	316.405	1.923	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccccc2O)cnn1C(C)(C)C	47297026	ASVMWGJVBMNPAR-UHFFFAOYSA-N	316.361	1.727	50	20	DDGD	
O=C(C[C@@H]1COC(=O)C1)NNc1ccccc1OC(F)(F)F	190200402	CBKKDDMVGNIRGE-QMMMGPOBSA-N	318.251	1.982	50	20	DDGD	
O=C(CCOc1ccccc1Cl)NNC(=O)[C@@H]1CCCO1	42968921	HTGAOHVNYCMJFT-LBPRGKRZSA-N	312.753	1.435	50	20	DDGD	
Cc1nc2ccccc2c(C)c1CC(=O)NNC(=O)N(C)C	194921872	SSLCSTGQCOUCMO-UHFFFAOYSA-N	300.362	1.697	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccccc1O)C(C)(C)CN(C)C	85423654	RGPBNRGAWRWHTJ-NSHDSACASA-N	322.409	1.313	50	20	DDGD	
Cc1cccnc1C(F)(F)C(=O)NNC(=O)Cc1ccncc1	192674525	ABERIDBFCWHTIY-UHFFFAOYSA-N	320.299	1.267	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(C)c2ccccc2n1	193461368	UYILGYKEINGEKK-UHFFFAOYSA-N	300.387	1.838	50	20	DDGD	
CS[C@@H](CO)[C@H](C)NS(=O)(=O)c1ccc(CCl)cc1	381829864	PNHGNSIPKQKKKH-CABZTGNLSA-N	323.867	1.816	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NNC(=O)c1cccn1C	194029960	QMBRRVIGVWDPHH-UHFFFAOYSA-N	311.345	1.144	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)o1	84160845	QOSYRXYTNBENIQ-WCQGTBRESA-N	307.350	1.346	50	20	DDGD	
CCSc1ccc(C(=O)NNC(=O)Cc2ccncc2)cn1	81026105	JWEFOTOIPMSIIX-UHFFFAOYSA-N	316.386	1.592	50	20	DDGD	
CCOCCO[C@H]1CCN(CCI)C1	191004509	ZABYLFBFEFZRGU-JTQLQIEISA-N	313.179	1.549	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1c(Cl)nc2ccccn12	195320374	COYAAMFSCWKUAP-VQHVLOKHSA-N	310.766	1.744	50	20	DDGD	
O=C(NNc1cnccn1)Nc1cnn(CC(F)(F)F)c1	92763469	VBNBVIAPTQKHLT-UHFFFAOYSA-N	301.232	1.384	50	20	DDGD	
Cn1c(=NNC(=O)c2ccc(O)cc2O)sc2ccccc21	255733188	MSWMVJYHMHBXRP-UHFFFAOYSA-N	315.354	1.897	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNC(=O)C(C)(C)c1ccccc1	264665268	UUHCSJHPJFDZII-UHFFFAOYSA-N	321.377	1.246	50	20	DDGD	
CN(NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1)c1ccccc1	265920419	MFSHBILZJVRTDV-WBVHZDCISA-N	324.384	1.769	50	20	DDGD	
O=C(NCCOc1ccc(F)c(F)c1)NNC(=O)C1CCC1	264815704	GQWKGBOTNNHSSR-UHFFFAOYSA-N	313.304	1.474	50	20	DDGD	
CN1CC[C@@H](N(C)/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C1=O	267375402	LEWIWVMKUKSGSD-WTWVRAIASA-N	300.318	1.622	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)[C@H]3CCCC(C)(C)C3)nc21	270011894	AZEQYZSUQHFDEC-VIFPVBQESA-N	318.381	1.728	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)n1	272515312	JTWSQQZKGCSQDB-MEBBXXQBSA-N	315.329	1.762	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2CCCc3c2cnn3C)nc1	276018295	UWXPXZCTFZRMHN-GFCCVEGCSA-N	316.365	1.527	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2nc(C)sc2C)n1	279855083	UGBCHIYRHGAGRX-UHFFFAOYSA-N	304.375	1.467	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)C1SCCS1	270528963	SZISGAPYAJWMKY-UHFFFAOYSA-N	312.416	1.157	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc2oc(N(C)C)nc2c1	276099607	XOWGMHRCXIOADM-UHFFFAOYSA-N	320.353	1.592	50	20	DDGD	
CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1CC1	276834078	HXJUOAVZIPLRFL-AAEUAGOBSA-N	306.366	1.099	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O	276005377	PMPMWSUTPHGCRA-RDRICISKSA-N	319.405	1.870	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@@H]2CCC[C@H](N)[C@H]2C1	368484478	YTDIJJBEFCADOO-IHRRRGAJSA-N	324.856	1.938	50	20	DDGD	
CCONC(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1	275075370	CLYVUKDOOCCPTM-NSHDSACASA-N	317.345	1.889	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@@H](O)CC(C)(C)C)n1	279713678	SUUHZGAXUUPYPE-NSHDSACASA-N	308.382	1.131	50	20	DDGD	
COCCn1ccc(C(=O)NNc2cccc([N+](=O)[O-])c2C)n1	275777214	AEAUABJGTOZHLO-UHFFFAOYSA-N	319.321	1.503	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)C1=Cc2ccccc2OC1	276456996	FHJYLYBCJUCQNG-UHFFFAOYSA-N	310.375	1.417	50	20	DDGD	
CCC(O)(CC)CCNC(=O)NNC(=O)c1cccc(C)n1	279995728	SHXJAQDSSMDDPV-UHFFFAOYSA-N	308.382	1.275	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(F)cc2nc(C)c(C)nc12	286178060	CFUTXQDJPQZCLT-UHFFFAOYSA-N	306.297	1.729	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	288367976	HQICAJLCPJJNQV-UHFFFAOYSA-N	319.321	1.004	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)n1	280254581	KVOXJAQQQDOOQO-TZMCWYRMSA-N	320.393	1.538	50	20	DDGD	
CCc1ccc(C(=O)NN=c2nc(-c3ccncc3)[nH]o2)cc1	376725498	COZYZNQBGNQIMB-UHFFFAOYSA-N	309.329	1.873	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCC2([S@@](C)=O)CCC2)n1	281682423	ZVXCNFICRXCOCS-OAQYLSRUSA-N	311.411	1.021	50	20	DDGD	
O=C(NCc1cnc2n1CCCC2)NNC(=O)c1ccccc1	376753172	WQKPRTBAUVGOPQ-UHFFFAOYSA-N	313.361	1.364	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1)C1CC1	282992400	WTZCSIVAZWJEBK-PKNBQFBNSA-N	301.346	1.437	50	20	DDGD	
C=C(C)[C@@H](CC(=O)NNc1ccc(-n2ccnc2)nn1)OCC	804955492	ZJXZPJJLKOCNJH-GFCCVEGCSA-N	316.365	1.477	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1cccc2nccn12	803439885	MXSJVCDHQHQXEA-UHFFFAOYSA-N	319.324	1.933	50	20	DDGD	
CC[C@H](C)N[C@H](CNC(=O)NNC(=O)C1CCC1)c1ccco1	807441759	NTJHVTRWHYBWSM-WCQYABFASA-N	322.409	1.839	50	20	DDGD	
CN1CCC(NC(=O)NNc2cc(C(F)(F)F)ccn2)CC1	296362328	IHZHLWLBYLEELQ-UHFFFAOYSA-N	317.315	1.821	50	20	DDGD	
CC[C@H]1NCC[C@@H]1C(=O)NNc1nc(-c2ccccc2)no1	290082419	WEVKJCDVENLMKX-NWDGAFQWSA-N	301.350	1.568	50	20	DDGD	
C[C@H]1CCC[C@H](C)N1CC(=O)NNC(=O)c1ccc(F)cc1	299256779	LCDWOTVWJTUCOS-RYUDHWBXSA-N	307.369	1.850	50	20	DDGD	
CCNC(=O)CCCC(=O)NNC(=O)Nc1ccc(OC)cc1	802063213	VWTGPFZLSGGTSA-UHFFFAOYSA-N	322.365	1.154	50	20	DDGD	
CSSCCNC(=O)c1ccc(C(N)=O)c(Cl)n1	803478110	ABNAWFUDZUKMEJ-UHFFFAOYSA-N	305.812	1.575	50	20	DDGD	
O=C(/C=C\c1ccco1)NNC(=O)Nc1ccc2c(c1)OCO2	802106525	JDIXBUWQLIRUBH-XQRVVYSFSA-N	315.285	1.874	50	20	DDGD	
CCCCN(C)C[C@@H](C)NC(=O)NNc1nc(C)cc(OC)n1	292072141	SXKJEZHLSAHGQY-GFCCVEGCSA-N	324.429	1.540	50	20	DDGD	
CO[C@](C)(CNC(=O)NNC(=O)c1ccccc1C)C1CC1	291747532	KIIZZMMIIDCWKD-MRXNPFEDSA-N	305.378	1.754	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCO2)c1cn(C)c(C)n1	800805350	WHDURFGPQNLXIR-UHFFFAOYSA-N	300.318	1.611	50	20	DDGD	
CC(C)Oc1ncccc1NC(=O)NNC(=O)[C@@H]1CCCO1	292690880	QCQYMWCISOMLFN-NSHDSACASA-N	308.338	1.201	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCc2scnc2C)nc1	298881512	HPIKPVRHMBFFRT-UHFFFAOYSA-N	320.374	1.709	50	20	DDGD	
CCOC(=O)c1nn(C)cc1/C=C(/C#N)C(=O)NCC(C)C	291929968	OFOBETFLCBFZKI-WDZFZDKYSA-N	304.350	1.276	50	20	DDGD	
COCC1(C(=O)NNc2cc(F)c(F)cc2F)CCOCC1	290958022	CAUVQLWMZRFJHF-UHFFFAOYSA-N	318.295	1.990	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O	808247554	FPINHNNBFIUROF-PHDIDXHHSA-N	321.126	1.706	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C1CCN(CC(F)(F)F)CC1	819118275	PQNHPDDCCUDUNL-UHFFFAOYSA-N	307.316	1.208	50	20	DDGD	
CC(C)NS(=O)(=O)c1cccc(C(=O)NN(C)C2CC2)c1	819641323	RHAMEROGLWPWAZ-UHFFFAOYSA-N	311.407	1.112	50	20	DDGD	
COCC(=NNC(=O)CN1CCCC1=O)c1cccc(Cl)c1	814761442	WJRLZJGRLCOVAQ-UHFFFAOYSA-N	323.780	1.429	50	20	DDGD	
O=Cc1c[nH]c(C(=O)NNC(=O)Cn2ccc3ccccc32)c1	815441578	AWVZSAZDCMBAMJ-UHFFFAOYSA-N	310.313	1.243	50	20	DDGD	
O=C(NCC(Cl)Cl)[C@@H]1CC(=O)N(CC(F)(F)F)C1	819794088	JTJAIAAVCICKNO-RXMQYKEDSA-N	307.099	1.317	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)c2csnn2)cc1OC	814700083	NKWCGBKTIIRNKT-UHFFFAOYSA-N	306.347	1.709	50	20	DDGD	
Cc1cc(C)c(NNC(=O)CCn2ncn(C)c2=O)c(C)c1	815853740	XWESLTHSSNLSIT-UHFFFAOYSA-N	303.366	1.040	50	20	DDGD	
CC(C)OC(=O)CC[C@H](C)NC(=O)NNc1ncncc1F	814327421	GMYGLIZHAYQMOG-VIFPVBQESA-N	313.333	1.362	50	20	DDGD	
CC(C)(C)[C@@H]1CC(=NNC(=O)[C@H]2CCS(=O)(=O)C2)CS1	814781334	FSYOTROAOCVBDC-ONGXEEELSA-N	318.464	1.445	50	20	DDGD	
COC(=O)C(C)(C)CC=NNC(=O)c1cc([N+](=O)[O-])ccc1O	814858339	USPFJFIABZLNHZ-UHFFFAOYSA-N	323.305	1.605	50	20	DDGD	
CC(=O)N[C@@](C)(C(=O)NNC(=O)c1cc(C)cs1)C(C)C	827020915	JEQSTRIJYSNJLK-CQSZACIVSA-N	311.407	1.368	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCC[C@@H](N3CCCC3)C2)cn1	823179948	BKGOIBTUYYFSFX-HTRKUNOGSA-N	313.405	1.414	50	20	DDGD	
CCN(CCO)NC(=O)CSCc1cn2cc(C)ccc2n1	823841803	KKKAJUIPIHJZQB-UHFFFAOYSA-N	322.434	1.221	50	20	DDGD	
CCOC(=O)NNC(=O)c1csc(-c2ncccc2F)n1	494101712	BAWLEQSVLBFVLQ-UHFFFAOYSA-N	310.310	1.735	50	20	DDGD	
CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)NNC(=O)C1CC1	491016868	YYNKCVSKGWGQRK-HNNXBMFYSA-N	313.398	1.627	50	20	DDGD	
N#C/C(=C/c1cnccn1)C(=O)Nc1ccc2c(c1)OCCO2	491100396	AQPPZABXFIZXOO-XFFZJAGNSA-N	308.297	1.793	50	20	DDGD	
CCOC1(C(=O)NNc2oc(C(C)C)nc2C#N)CCOCC1	824632991	VVBVFFPWYLIWNB-UHFFFAOYSA-N	322.365	1.698	50	20	DDGD	
CCC(CC)N1C[C@H](C(=O)NNC(=O)OC(C)(C)C)CC1=O	491189955	GMTNBQYRNHLZEP-SNVBAGLBSA-N	313.398	1.579	50	20	DDGD	
COC(=O)Nc1cccc(C(=O)NNC(=O)CC(F)(F)F)c1	491143349	XYZVYYOKWGQRBL-UHFFFAOYSA-N	319.239	1.578	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCc1ccccc1F	825534804	SWVRVNWVRXLZFL-ZYHUDNBSSA-N	309.341	1.124	50	20	DDGD	
CCC1(C=NNC(=O)CNC(=O)OC(C)(C)C)CCOCC1	495105369	LVRUUQFWOURYGN-UHFFFAOYSA-N	313.398	1.820	50	20	DDGD	
COc1ccc(C(=O)NN(C)[C@H](C)CO)cc1Br	823987381	GYEAUWMWWWGHDU-MRVPVSSYSA-N	317.183	1.415	50	20	DDGD	
C[C@]1(CC(=O)NNC(=O)c2ccncc2)CC1(Cl)Cl	822114709	HFSCLYOTDOXQDB-NSHDSACASA-N	302.161	1.817	50	20	DDGD	
COc1ccc(Br)c(NNC(=O)[C@@H]2CCOC2)c1	822821320	QBIPMXWXWUMFEB-MRVPVSSYSA-N	315.167	1.937	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1CC=CC1	826445305	OPYMMFQTVLJZCB-UHFFFAOYSA-N	305.729	1.324	50	20	DDGD	
COC(=O)NNC(=O)c1cn(CCCC#N)c2ccccc12	496101469	PSPNSCSNERCLQE-UHFFFAOYSA-N	300.318	1.946	50	20	DDGD	
CCn1cc(C=NNC(=O)COc2ccc(F)cc2)c(C)n1	901146221	JDKIACNBZCOZHW-UHFFFAOYSA-N	304.325	1.880	50	20	DDGD	
CCOC(=O)C1(CNC(=O)/C(C#N)=C/c2ccc(O)cc2)CC1	491173663	DPNXFOPXAUESKA-UKTHLTGXSA-N	314.341	1.759	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccccc1C(F)(F)F)NC1CC1	900383217	BPXFXWFCZOAJLU-SNVBAGLBSA-N	317.267	1.232	50	20	DDGD	
Cn1nc(-c2ccccc2)cc1C(=O)NNC(=O)NCC1CC1	825421297	QQWCGSJRGLSBEV-UHFFFAOYSA-N	313.361	1.441	50	20	DDGD	
CCCNC(=O)NNC(=O)CCC(=O)c1c(F)cccc1F	823950712	KBCXBZWOXIPIAH-UHFFFAOYSA-N	313.304	1.668	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)cc1	824037276	IAFTYERMTFENNT-XUJVJEKNSA-N	317.389	1.691	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1C(=O)O)c1cc2ccccc2cc1O	739454526	SEOXJVCYPXXUSM-GHMZBOCLSA-N	314.297	1.027	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCn2cccc2[C@@H]1C	731848747	KASDQIGSKGGNAG-QWHCGFSZSA-N	306.410	1.447	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(C)c1	825696822	CYKLAZCWVOEHNH-GXTWGEPZSA-N	305.378	1.559	50	20	DDGD	
O=C(N[C@H](c1ccccc1)C1CCC1)c1ccc(B(O)O)cc1	584941702	FENLRXSJNABZIG-QGZVFWFLSA-N	309.174	1.638	50	20	DDGD	
CCn1ccnc1C=NNC(=O)CCCNC(=O)OC(C)(C)C	494079602	VOKSLYXCHYHOCZ-UHFFFAOYSA-N	323.397	1.658	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc(F)c(F)c1F	831057297	FSVSDDDSQBUKFX-NKWVEPMBSA-N	317.267	1.682	50	20	DDGD	
O=C(CO)NN=C1CC(c2ccc(Br)cc2F)C1	834971232	VYOLHTMEWOGOTP-UHFFFAOYSA-N	315.142	1.930	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)/C=C/c1ccc[nH]1	492030651	JSXOJPJPGZQBGW-LAHYYIKRSA-N	317.320	1.782	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cnn2cccnc12)c1ccccc1	732001689	UEYPGLRHMAGLMH-ZDUSSCGKSA-N	323.356	1.684	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)CCc1ccccc1)c1cnn(C)c1	839618416	JBFKIJCHMRGCQV-ZDUSSCGKSA-N	314.389	1.694	50	20	DDGD	
CCC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)CCl)C1	830307427	QAMKZAABUFLECI-QWRGUYRKSA-N	310.847	1.529	50	20	DDGD	
CCOCc1ccccc1CNC(=O)NNc1ccncn1	836214137	MCZIEKVSXKTGGL-UHFFFAOYSA-N	301.350	1.839	50	20	DDGD	
CCN(CC)[C@H](CNCc1ccccc1B(O)O)c1ccco1	585020086	WKVNODIDOUBCLV-MRXNPFEDSA-N	316.210	1.132	50	20	DDGD	
O=C(C[C@H]1COCCN1S(=O)(=O)CCl)c1ccco1	831101291	DDFFSNMKEXPNTQ-VIFPVBQESA-N	307.755	1.079	50	20	DDGD	
Cc1ccc(C[C@H](C)NC(=O)c2cccc(B(O)O)c2)c(C)c1	584941538	KHWHBWIYTXLLLP-AWEZNQCLSA-N	311.190	1.344	50	20	DDGD	
CC/C=C/CNC(=O)NNC(=O)c1c(C)nc2ccccn12	836190845	DCNMAMMKVRNXKM-GQCTYLIASA-N	301.350	1.553	50	20	DDGD	
COC[C@@]1(C)CCN(CC(=O)NNC(=O)c2cccc(C)c2)C1	830529587	MQBDVZVVAWJCJV-KRWDZBQOSA-N	319.405	1.114	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1ccc([C@@H]2CCOC2)cc1	836695622	CJUAMXDVWYAAHI-GFCCVEGCSA-N	314.345	1.985	50	20	DDGD	
O=C(NCc1cocn1)NNC(=O)c1ccc2ccccc2c1	730819503	FIHBLXFMXNAXSH-UHFFFAOYSA-N	310.313	1.972	50	20	DDGD	
CCC(CC)N(CC(C)C)C(=O)c1cc(B(O)O)ccc1F	584956776	HWKOZPFSNXHZTB-UHFFFAOYSA-N	309.190	1.792	50	20	DDGD	
OB(O)c1ccc(-c2noc([C@@H]3CC34CCSCC4)n2)cc1	585054370	LJJZXRWHBHKLQP-LBPRGKRZSA-N	316.191	1.417	50	20	DDGD	
Cn1c(=NNC(=O)c2cnn3ccncc23)sc2ccccc21	588576919	BHICLMIPWJFJAA-UHFFFAOYSA-N	324.369	1.528	50	20	DDGD	
C=C(C)CN1CCC(NC(=O)NNC(=O)CC(F)(F)F)CC1	730067309	WQOBYMLQOQJHHH-UHFFFAOYSA-N	322.331	1.310	50	20	DDGD	
CCCN(C)CC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	730103873	IXPHFJVAUBAGOA-AWEZNQCLSA-N	321.421	1.560	50	20	DDGD	
CN1CCC[C@@H](CCNC(=O)NNC(=O)c2ccccc2O)C1	838764742	FQGUSAHOPPITPI-LBPRGKRZSA-N	320.393	1.068	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCC(Cc2ccccc2)CC1	584923032	CBIAZJIYEHALAZ-UHFFFAOYSA-N	323.201	1.461	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@@H]1CCCc2nn[nH]c21	834736117	GWOFWECMDCFAGO-SSDOTTSWSA-N	320.284	1.415	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1cccc(Cn2ccnc2)c1	916132078	SZEXMFXVTYPNGX-UHFFFAOYSA-N	309.329	1.334	50	20	DDGD	
O=C(CCCn1cccn1)NNC(=O)CCc1ccccc1O	730032545	UZRNMAPDXJPANP-UHFFFAOYSA-N	316.361	1.149	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)c1	913821885	LPIVWBLTEFYHOB-OXHMUOHRSA-N	321.377	1.677	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc2nc(C(F)F)[nH]c2c1	732064121	XUGQCWYALOIWGG-UHFFFAOYSA-N	311.292	1.853	50	20	DDGD	
Cn1nc(C(=O)NNc2ncc(F)cc2F)c2c1CCCC2	837206639	PFXVRYCIQNHUAV-UHFFFAOYSA-N	307.304	1.729	50	20	DDGD	
CCCc1csc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n1	831616772	OTBMRNWTHZLLCO-PSASIEDQSA-N	312.395	1.673	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c1O	919755748	ZHDHSHRDCNCMJD-JBLDHEPKSA-N	304.346	1.598	50	20	DDGD	
COc1c(C(=O)NNc2cc(F)c(F)cc2F)c(C)nn1C	748795263	DXNBPPFUYGPJDY-UHFFFAOYSA-N	314.267	1.911	50	20	DDGD	
Cc1cc(C(=O)NN(C)C[C@@H](C)O)ccc1Br	910160945	QOERPDWXRBHOAB-SECBINFHSA-N	301.184	1.715	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)c2cccc(C#N)c2)c2ccccn12	741185640	FJMINJUMEXPWLS-UHFFFAOYSA-N	319.324	1.589	50	20	DDGD	
Nc1ccc(C(=O)NNc2ccc(Cl)nc2)cc1[N+](=O)[O-]	743814754	FYHUZBRDKAALPJ-UHFFFAOYSA-N	307.697	1.982	50	20	DDGD	
O=C(NCC(Cl)Cl)[C@H]1CCS(=O)(=O)c2ccccc21	848384168	BCSIGYDEBIRJQQ-VIFPVBQESA-N	322.213	1.868	50	20	DDGD	
C[C@H](C(=O)NNC(=O)COc1ccc(C#N)cc1)C(F)(F)F	742472057	XGEHMAMWFGIUNC-MRVPVSSYSA-N	315.251	1.283	50	20	DDGD	
O=C(NN=Cc1cnc(C2CC2)nc1)[C@@H]1COc2ccccc2O1	841605904	XSXIBCWOMXYJAA-HNNXBMFYSA-N	324.340	1.644	50	20	DDGD	
COc1cc(C(C)=NNC(=O)[C@@H]2CCCCO2)cc(OC)c1O	842535693	ISTSMRDYZOTIBM-LBPRGKRZSA-N	322.361	1.819	50	20	DDGD	
O=C(Cc1ccncc1)NN=Cc1c[nH]nc1-c1cccnc1	747642451	UNLUHUZSYWDIMX-UHFFFAOYSA-N	306.329	1.560	50	20	DDGD	
CC(C)[C@H](C(=O)NN(C)C[C@H](C)O)N1Cc2ccccc2C1=O	910182046	GQOUKKJKAPWUQS-SWLSCSKDSA-N	319.405	1.011	50	20	DDGD	
CCO[C@@H](C)c1ncc(C(=O)NNC(=O)NCC2CC2)s1	742582726	BRVVXVQRPGYHAL-QMMMGPOBSA-N	312.395	1.595	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCC1(N)CCC1)c1ccccc1	841968995	HCTYGLGZRVXFDG-UHFFFAOYSA-N	304.394	1.176	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1c[nH]c2ccc([N+](=O)[O-])cc12	842561388	KOFFDBUCTZPSGL-CABZTGNLSA-N	316.317	1.951	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCC(C)(C)C[C@H]1C	748252594	VXGYBPAELFPBEK-ZJUUUORDSA-N	303.428	1.243	50	20	DDGD	
CN1CCC[C@H]1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	748546674	LLZXNPYKIZEFKE-ZZTKBFGJSA-N	305.422	1.444	50	20	DDGD	
C[C@@H](COCC(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccc1	844550669	BQVGLTYKYDDWDC-ZFWWWQNUSA-N	320.389	1.523	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(CC)cc1	915957511	LLCYPEUSUSCRFK-CQSZACIVSA-N	322.430	1.914	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCCOc1ccccc1F	843646368	PSNWYYDOWJDUIB-NWDGAFQWSA-N	324.352	1.557	50	20	DDGD	
C[C@]1(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)C[C@@H]1c1ccccc1	841617515	YLZBADRLJBWSLR-SQWLQELKSA-N	320.414	1.717	50	20	DDGD	
COC/C(C)=C/C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	846094547	RNPQMVNKQCKGCK-WEVVVXLNSA-N	307.306	1.161	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)[C@@H]1CCOC2(CCC2)C1	913826602	XKOGTXLSIJAILO-LLVKDONJSA-N	320.418	1.749	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@H]2CC[C@@H](CN)C2)c(F)c1	842009989	GVIUROWYSSFBHX-KOLCDFICSA-N	324.356	1.366	50	20	DDGD	
CC(CCN(C)C)=NNC(=O)Cn1c(C)nc2ccccc21	915943488	FRDOVOSMIWBCCX-UHFFFAOYSA-N	301.394	1.789	50	20	DDGD	
COc1cccc(OC)c1C(=O)NNC(=S)NCC1CCC1	841482390	VPVGIXDRTDRDSE-UHFFFAOYSA-N	323.418	1.613	50	20	DDGD	
C[C@H](C(=O)NNc1cc(F)c(F)c(F)c1)[C@@H](C)S(C)(=O)=O	841409672	YAKVKCPPIOVSDB-NKWVEPMBSA-N	324.324	1.616	50	20	DDGD	
CC[C@H](C#N)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	845856040	MMKPEHOBMBHIJF-MRVPVSSYSA-N	317.317	1.676	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H](CN)CC(C)C)cc1	841954544	SZJJJYIBIPGMCR-CYBMUJFWSA-N	322.409	1.078	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2ccn(C(C)C)n2)n1	746632924	MLOWFSSVKLDPBC-UHFFFAOYSA-N	304.354	1.257	50	20	DDGD	
CC(C)N1C(=O)C(=NNC(=O)[C@H]2CCO[C@H]2C)c2ccccc21	842557379	VBZRBHLVGBIZRW-RYUDHWBXSA-N	315.373	1.687	50	20	DDGD	
CC1(C)[C@]2(C(=O)NNC(=O)NC3CCCC3)CC[C@@]1(C)C(=O)O2	858853725	VXFSRXKMFOROHD-JKSUJKDBSA-N	323.393	1.381	50	20	DDGD	
C[C@@H]1C[C@H](CN)CN1C(=O)NC[C@]1(C)C[C@@H]1Br	857105533	MVJVGUBAPCZIDF-SVDPJWKOSA-N	304.232	1.539	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=C1COC[C@H]1CC	853357399	SSGVRQIXHQAGHO-VXGBXAGGSA-N	323.393	1.432	50	20	DDGD	
CN(C)CC(=O)NNC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1	857108479	GLCWTFAJZFCCDR-LSDHHAIUSA-N	303.406	1.354	50	20	DDGD	
CNC(=O)c1ccc(C(=O)NNc2cc(F)cc(OC)c2)cn1	759327950	HVMBXZILWFKBSO-UHFFFAOYSA-N	318.308	1.346	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ncc(C)cc2OC)nc1	754281131	NHSKVPVOHBNFRS-UHFFFAOYSA-N	316.317	1.337	50	20	DDGD	
O=C(NNC(=O)C1CC(c2ccc(F)cc2)C1)c1cc[nH]n1	855356320	PAYGBXVDNVWISU-UHFFFAOYSA-N	302.309	1.504	50	20	DDGD	
C[C@@H]1COC[C@H]1NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	925989995	DBCZIBRBISSJMC-BXUZGUMPSA-N	319.405	1.963	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)ccc1O)Nc1cnns1	755333453	DUMQQADDXMXXQZ-UHFFFAOYSA-N	313.726	1.364	50	20	DDGD	
C[S@](=O)C1(CNC(=O)NNc2ccc(Cl)cn2)CC1	852309053	VJGIXIXRSSPCRB-IBGZPJMESA-N	302.787	1.272	50	20	DDGD	
CCc1c(C(=O)NNc2cnnn2C)cnn1CCC(C)C	857272770	HBEJEILPUYQASE-UHFFFAOYSA-N	305.386	1.377	50	20	DDGD	
CN(C)C(=O)c1cc(=NC[C@@]2(C)C[C@H]2Br)cc[nH]1	856785288	IIHNISOQRMLMQX-DGCLKSJQSA-N	312.211	1.791	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN[C@H](C)[C@H]2CCCOC2)cc1	754568420	UUNDFKZLLJRXGV-HIFRSBDPSA-N	319.405	1.161	50	20	DDGD	
CCN1CCN(C(=O)NC[C@]2(C)C[C@H]2Br)CC1=O	856902676	JHUCUABWTVOWPN-SKDRFNHKSA-N	318.215	1.034	50	20	DDGD	
CC(C)CCO[C@H](C)C(=O)NNC(=S)N[C@@H](C)C1CC1	855103823	ZXHBXQAVDBAEIY-WDEREUQCSA-N	301.456	1.731	50	20	DDGD	
Cc1ncc(C(=O)NNC(=S)N[C@@H](C)C2CC2)c(C(C)C)n1	855100956	MHYFQFKDYUTGJW-VIFPVBQESA-N	321.450	1.816	50	20	DDGD	
CCc1cnc(CNC(=O)NNc2ncc(Cl)cn2)s1	856871836	DZTBLGXYHMUKET-UHFFFAOYSA-N	312.786	1.975	50	20	DDGD	
CN(NC(=O)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1)C1CC1	854983739	RONDRNFXTLAQDS-LLVKDONJSA-N	305.353	1.694	50	20	DDGD	
CC(C)c1nnc(C(=O)NNC(=S)N[C@@H](C)C2CC2)s1	855097237	MBOZMNCAKJTNOD-ZETCQYMHSA-N	313.452	1.569	50	20	DDGD	
O=S(=O)(CBr)N1CCn2nc(C3CC3)cc2C1	921701023	ZYVZQTOTNKFRDN-UHFFFAOYSA-N	320.212	1.258	50	20	DDGD	
N#Cc1ccc(CN2CCC(=NNC(=O)c3cc[nH]n3)CC2)cc1	853392137	FAXDAWTUWPBVQI-UHFFFAOYSA-N	322.372	1.663	50	20	DDGD	
C[C@H](O)CNc1cc(NC[C@@]2(C)C[C@@H]2Br)ncn1	856788047	UMOYDDDQJWTGTR-HOTUBEGUSA-N	315.215	1.855	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H]2CCO[C@H](C3CC3)C2)c1	858362988	CZYCFKVQGUKPJM-RYUDHWBXSA-N	323.418	1.958	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)C1(C)COC(C)(C)OC1)C1CC1	855098645	JYHYSCPANWZGLD-VIFPVBQESA-N	315.439	1.069	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)c1cnc2[nH]nnc2c1	755454755	ZKAUNRDCSWIUMI-UHFFFAOYSA-N	322.284	1.174	50	20	DDGD	
CCc1ncc(NC(=O)NNC(=O)c2ccc(C)cc2O)cn1	757748603	JFOQTNZSZWXNPF-UHFFFAOYSA-N	315.333	1.520	50	20	DDGD	
CC[C@@H](C)N(C)CCNC(=O)NNC(=O)c1cc(C)cs1	858194684	KFOHMBCCFYQXQC-LLVKDONJSA-N	312.439	1.731	50	20	DDGD	
CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)NNc1cccnn1	852691661	JWYFCDIHMGXLBO-YGRLFVJLSA-N	307.354	1.225	50	20	DDGD	
C[C@H](c1ccccc1)[C@H](O)CNC(=O)NNC(=O)C1CCCC1	852279629	WRNOKXFWTXFDNJ-IUODEOHRSA-N	319.405	1.672	50	20	DDGD	
C[C@H](CCO)CCNC(=O)NC[C@@]1(C)C[C@@H]1Br	856957745	HGMWHHXFXZHVAW-JBLDHEPKSA-N	307.232	1.868	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2conc2C(C)C)c1O	863861373	SUXUYWDVZCYYDJ-UHFFFAOYSA-N	319.317	1.587	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=Cc1ccccc1N1CCCCC1	863188722	KQNVKYYWRPATSE-UHFFFAOYSA-N	323.418	1.172	50	20	DDGD	
OB(O)[C@H]1CCN(c2nc(C(F)(F)F)nc3ccccc23)C1	864232754	DARFJHHUBHKSEG-QMMMGPOBSA-N	311.072	1.702	50	20	DDGD	
C[C@@H](NNC(=O)c1cncc(N2CCOCC2)c1)C(F)(F)F	862314570	DXAATGHHHWCCGE-SECBINFHSA-N	318.299	1.103	50	20	DDGD	
CS(=O)(=O)c1ccc(C(=O)NNc2nc3ccccc3[nH]2)o1	768500763	UTHNVZFKHDCHAK-UHFFFAOYSA-N	320.330	1.316	50	20	DDGD	
C=CCOc1cc(OC)ccc1C(=O)NNC(=O)NCCC	767334316	YHCXGPNIYILKRN-UHFFFAOYSA-N	307.350	1.614	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H]2CCO[C@@H](c3ccccc3)O2)cc[nH]1	862513161	AZGSOGUAGCQRBV-NVXWUHKLSA-N	313.357	1.759	50	20	DDGD	
O=C(NN=CC[C@H]1CCOC1)c1cc(Br)c[nH]1	765561799	CCOHNTPROQCQIY-QMMMGPOBSA-N	300.156	1.919	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(C(F)(F)F)nn2)c(C)nn1	767865225	ZMXLCTROTCDZEX-UHFFFAOYSA-N	312.255	1.659	50	20	DDGD	
CCOc1ccc(NCc2cccc(B(O)O)c2)c2ncccc12	864033868	KTJZLFKYMFQDJZ-UHFFFAOYSA-N	322.173	1.925	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2ccc(Br)nc2)c[nH]1	762804045	FOKRYMQVGYRVEP-UHFFFAOYSA-N	323.150	1.598	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(F)cc1[N+](=O)[O-]	764482117	RXAAPECJWRQBIO-UHFFFAOYSA-N	307.241	1.289	50	20	DDGD	
O=C(NNC(=O)C1Cc2ccccc2C1)c1ccc(Cl)nc1	761573411	YPBXFTSHEOBSQZ-UHFFFAOYSA-N	315.760	1.911	50	20	DDGD	
COCC(=O)NN=Cc1c(C)nn(Cc2ccccc2)c1C	761819414	VHTORDMKWCXDRH-UHFFFAOYSA-N	300.362	1.645	50	20	DDGD	
N#CCOc1cccc(CNC(=O)NNc2ncncc2F)c1	1117698530	ITIVDDCLOININU-UHFFFAOYSA-N	316.296	1.344	50	20	DDGD	
CCn1cc(C(=O)C(=O)NNc2ncnc3ccsc23)cn1	1116390285	JOPKRLIVHCEQFW-UHFFFAOYSA-N	316.346	1.234	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cnc(N(C)C)cn2)cc1	770550759	YMKIUQKBEZBHFT-UHFFFAOYSA-N	313.361	1.180	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCCCc1nc(C)cs1	875216466	MLQKCGAHLXQOKI-UHFFFAOYSA-N	300.384	1.687	50	20	DDGD	
O=S(=O)(CCCCCl)NCC1CCN(C2CC2)CC1	770428655	ZFFMJMPFUJXNRK-UHFFFAOYSA-N	308.875	1.799	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cnn(CC)c2C)n1	879172806	SQCMUIMMJWKSLA-UHFFFAOYSA-N	317.397	1.605	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ccc(C(F)(F)F)cn2)o1	775254691	TUODFMMHHXYRJS-UHFFFAOYSA-N	314.223	1.549	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)Cc2ccn(C)n2)cc1C	873761775	HSPCWTLJOWGXPW-UHFFFAOYSA-N	317.418	1.597	50	20	DDGD	
O=C(CN1CCC[C@H]1c1ncc[nH]1)NNC(=O)c1cccs1	778228904	RFOYZNGSGLLBNC-JTQLQIEISA-N	319.390	1.069	50	20	DDGD	
CSC[C@@H](C)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	772112414	ZUKBYQQYGVIAPI-ZJUUUORDSA-N	304.412	1.111	50	20	DDGD	
Cn1cc(C(=O)NNc2ncc(F)cn2)c(-c2ccccc2)n1	772836408	GENBGAYHADTXIZ-UHFFFAOYSA-N	312.308	1.773	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1ccc2nnnn2c1	775257148	CLTCVWWCHKMMTF-UHFFFAOYSA-N	323.238	1.295	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H](C)Cc2ccc(O)cc2)cc[nH]1	875143300	KOWWKZRZQTWJKJ-LBPRGKRZSA-N	300.362	1.775	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc2cc(C)ccc2[nH]1	771920048	CZUJZWYQLNMJGJ-JTQLQIEISA-N	317.345	1.579	50	20	DDGD	
COc1ccc(C(=O)NN(C)c2ccccc2)cc1-n1cnnn1	776106081	ALWYRCSEGSTMKS-UHFFFAOYSA-N	324.344	1.452	50	20	DDGD	
CC(C)CCC(=O)NCC(=O)NNc1nccnc1C(C)C	772876905	MVDHTNYGYBKOKQ-UHFFFAOYSA-N	307.398	1.596	50	20	DDGD	
COCC[C@@H](NC(=O)NN=c1cc[nH]c(C)c1)c1ccco1	875473582	YAXPWCVAQYULQP-CYBMUJFWSA-N	304.350	1.809	50	20	DDGD	
COCCCOCC(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	775780342	JCCILYLQPWMISH-UHFFFAOYSA-N	313.310	1.100	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1ccc(NC(C)=O)c2ccccc12	775248172	QPTVIUZDMKNGAS-UHFFFAOYSA-N	321.358	1.128	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)Cc1ccc(F)cc1	772047120	KANGKBJLIOKICR-GHMZBOCLSA-N	324.352	1.493	50	20	DDGD	
O=C(NCC(Cl)Cl)Nc1ccc2c(c1)CCNC2=O	880070230	MOQLVFBFQQUJBQ-UHFFFAOYSA-N	302.161	1.898	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccc(SC)c1[N+](=O)[O-]	777176593	NWIUXOFOIGQDNJ-UHFFFAOYSA-N	312.351	1.623	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCc1ccc(N(C)C)cc1	887140960	ZFTPRPHTACDUJS-UHFFFAOYSA-N	301.390	1.636	50	20	DDGD	
O=S(=O)(CCCCl)N1CCOc2cc(F)ccc2C1	882466385	PLTJSQNYHQKDJT-UHFFFAOYSA-N	307.774	1.979	50	20	DDGD	
CC[C@H]1C[C@@H](CC(=O)NNc2ccnc(N(C)C)n2)CCO1	782118922	ZMARMGJDWAGPNZ-RYUDHWBXSA-N	307.398	1.581	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNc1ncncc1Cl	781820596	YWVBKCKKPAMLMR-UHFFFAOYSA-N	313.789	1.516	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCCC(=O)NC(C)C)c1	780801357	ZCZVFGRIFLPGGP-UHFFFAOYSA-N	321.377	1.611	50	20	DDGD	
O=C(NCCc1cccc(F)c1)NNC(=O)C1CCOCC1	883080584	DSUVSZIENMEZPH-UHFFFAOYSA-N	309.341	1.125	50	20	DDGD	
CC(C)[C@@H](CNS(=O)(=O)CCCCl)c1ccnn1C	882115139	HEVFTVCMWKBEQV-LLVKDONJSA-N	307.847	1.708	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1nc2c(s1)CCCCCC2	789730663	WOEDLMUQWVIDTH-UHFFFAOYSA-N	324.406	1.298	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H](C)[C@@H]2CCCOC2)n1	780042419	DAFYJOIXJRBIEB-WDEREUQCSA-N	309.370	1.235	50	20	DDGD	
Cc1c(Cl)c(C(=O)NNC(=S)NC(C)(C)C)nn1C	899998571	SQIPXUHEKAKYBN-UHFFFAOYSA-N	303.819	1.289	50	20	DDGD	
COc1ccc([C@H](NC(C)C)C(=O)NNc2cnnn2C)cc1	897847328	WSCKUFYLEQDYHG-AWEZNQCLSA-N	318.381	1.006	50	20	DDGD	
CC[C@H](O)[C@@H](C)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	899949020	OYPREPBSHGJFJK-YGRLFVJLSA-N	303.362	1.265	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc2c(OC)ccc(F)c2[nH]1	798306368	FGPSCBUXEKQEAF-UHFFFAOYSA-N	322.365	1.611	50	20	DDGD	
CCn1nc(C(=O)NN=C(C)c2ncc[nH]2)c2ccccc2c1=O	790145516	FKESZKHEQRDJBF-UHFFFAOYSA-N	324.344	1.294	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2ncccc2C(F)(F)F)CC1	790178763	KISYZVPEGZSVEE-UHFFFAOYSA-N	315.299	1.391	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H]2[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)n1	793010546	DCIRAKFGTRNZIS-LGZAZAJDSA-N	312.373	1.322	50	20	DDGD	
Cc1nc(C)c(NC(=O)C(=O)NNc2ncccc2C)s1	792378695	BCFBVJOAYZBUIZ-UHFFFAOYSA-N	305.363	1.545	50	20	DDGD	
Cn1nnc(COC(=O)CCCC[C@@H]2CCSS2)n1	799459809	MUJSRGWRHZINHQ-SECBINFHSA-N	302.425	1.967	50	20	DDGD	
C=C(CBr)CN1CCC([C@@H](O)C(=O)OC)CC1	791483107	NHRWPJYEVKSSGW-LLVKDONJSA-N	306.200	1.183	50	20	DDGD	
C[C@H](C(=O)NNC(=O)NCC1CC1)c1ccc2c(c1)OCO2	794246095	DIDRVTISAQOVDL-VIFPVBQESA-N	305.334	1.259	50	20	DDGD	
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1cnoc1C	799481097	IZQGMZICQUVRIY-UHFFFAOYSA-N	304.262	1.751	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)C1CCC(O)CC1	792084811	LAHDCYNHHQWRSP-UHFFFAOYSA-N	311.407	1.172	50	20	DDGD	
Cn1ccc2ccc(NC(=O)NN=c3cc[nH]cc3)cc2c1=O	794385223	XWKHYBMXNAAUEW-UHFFFAOYSA-N	309.329	1.504	50	20	DDGD	
CCOc1cccc(C=NNC(=O)c2ccc(O)c(O)c2)n1	794555956	MHUNLQNCITXMAN-UHFFFAOYSA-N	301.302	1.655	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1ccc(N2CCCCC2)c(F)c1	1318966566	XCDNJBQAGSZRTQ-UHFFFAOYSA-N	321.352	1.829	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cnc(C3CC3)[nH]2)c1O	1325912196	ZNBRRKAFFRISCO-UHFFFAOYSA-N	316.317	1.076	50	20	DDGD	
CCCc1cnc(NC(=O)NNC(=O)C2CCNCC2)s1	1327431106	MMIGTSWVXTXQMC-UHFFFAOYSA-N	311.411	1.248	50	20	DDGD	
C[C@H]1CCC[C@H]([C@H](C)NC(=O)NNC(=O)C2CCNCC2)C1	1327485764	IPKAWKYPLSKIRA-OBJOEFQTSA-N	310.442	1.531	50	20	DDGD	
O=C(CCO)NNC(=O)N[C@@H](C1CCCCC1)C(F)(F)F	1324157888	FBHRYBAOKRRBES-JTQLQIEISA-N	311.304	1.210	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2csc([N+](=O)[O-])c2)cc1	1248684449	YMNLSAFYEOFOCI-UHFFFAOYSA-N	321.314	1.740	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H]1C[C@@]12CCc1ccccc12	1322156890	JGMALOFCDIOPAF-XJKSGUPXSA-N	303.431	1.794	50	20	DDGD	
C[C@]1(Cn2nnnc2N2CC[C@@H]3C[C@H]3C2)C[C@@H]1Br	1334616674	POSIRVVCEKMHEM-FYLLDIAZSA-N	312.215	1.693	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCCc2cccs2)cc(C)n1	1338804500	HNQLOBDMEHDGLR-UHFFFAOYSA-N	318.402	1.947	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NC1(C(F)(F)F)CC1	1333348213	DZTKWBMITAOTLH-UHFFFAOYSA-N	319.258	1.794	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CO[C@@H]2CCOC2)c1C	1330618469	NIDSKSDOTJEWFV-GFCCVEGCSA-N	323.418	1.427	50	20	DDGD	
C=CCN(C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br)C(C)C	1261769922	JXZAILRBFOFTIE-ZWNOBZJWSA-N	317.227	1.699	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@@]2(C)CCOC2)cc1	1261369538	DBRGMZLVGUBRSU-HNNXBMFYSA-N	323.418	1.830	50	20	DDGD	
CCN(CC)CC[C@@H](C)NC(=O)NNC(=O)c1cccc(C)n1	1346153998	NVEUCSHFSILCLY-CYBMUJFWSA-N	321.425	1.454	50	20	DDGD	
CCC1(CNC(=O)C(=O)NC[C@]2(C)C[C@H]2Br)CC1	1261766581	KSFVWLVKWWSWOT-SKDRFNHKSA-N	317.227	1.583	50	20	DDGD	
Cc1c(NNC(=O)[C@H]2CCn3ccnc3C2)cccc1C(=O)O	1600052884	WDEAOJGXYWLEKU-NSHDSACASA-N	314.345	1.595	50	20	DDGD	
C[C@H]1CCCC[C@@H]1NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1603890900	ODIYYKUISUNGSV-ONGXEEELSA-N	316.369	1.467	50	20	DDGD	
CN(CC(=O)NNc1cccc(-c2nn[nH]n2)c1)CC(C)(C)C	1604711325	WRDOIUHNUVFVDU-UHFFFAOYSA-N	317.397	1.288	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)c1ccc2nncn2c1	1601559995	KAKQYLAJYNTFFU-UHFFFAOYSA-N	315.264	1.324	50	20	DDGD	
Cn1nc(C(=O)O)cc1NC(=O)[C@]1(C)C[C@@H]1Br	1608143819	IQJXTYVZHQCMHR-QUBYGPBYSA-N	302.128	1.230	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H]1CC[C@H]1C(=O)O	1603099736	XTWUFWASEDSZBA-HTQZYQBOSA-N	312.757	1.807	50	20	DDGD	
O=C(COc1ccccc1-c1nn[nH]n1)NN=C1CCC[C@H]1F	1606577284	LDWGCMDAKOAFHS-SNVBAGLBSA-N	318.312	1.240	50	20	DDGD	
Nc1c(F)cccc1C(=O)NNc1ccc(CC(=O)O)cc1	1601209275	AWORROSMLHHGTI-UHFFFAOYSA-N	303.293	1.792	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1cccc(C(=O)O)c1	1610534681	CEIFKJWTFGMBLZ-UHFFFAOYSA-N	314.301	1.170	50	20	DDGD	
O=C(O)[C@H]1C[C@H]2CC[C@H]1N(CCCI)C2	1610738316	BUQSRLHURYPAQQ-KXUCPTDWSA-N	323.174	1.997	50	20	DDGD	
CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](F)Cl)[nH]n1	1817022428	RLCJNIGUUPDAED-KOLCDFICSA-N	302.737	1.956	50	20	DDGD	
C[C@@H]1NCC[C@@H]1C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	1576759547	XQFAXKCMUCIIQC-SCVCMEIPSA-N	321.446	1.632	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@H](N)CC(C)C)cc1OC	1573801107	LZWSBHHBHDYQJW-GFCCVEGCSA-N	323.393	1.228	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CC[C@@H]3CNC[C@H]3C2)c1	1579832870	ZWMLIRSNJDDMRR-IJLUTSLNSA-N	322.434	1.389	50	20	DDGD	
NC[C@@H]1OCC[C@@H]1C(=O)NNc1cc(Cl)nc2ncccc12	1580278067	CIIVKPLNHSFUTM-ONGXEEELSA-N	321.768	1.090	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])[C@@H]1CC[C@@H]2CCCC[C@H]2N1	1580742982	LRILTOXJXVEZAM-TUAOUCFPSA-N	319.365	1.744	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2	1841667339	GDLZWKYDSBSQDN-LBPRGKRZSA-N	323.824	1.901	50	20	DDGD	
Br[C@H]1[C@@H]2CN(Cc3cccc(-c4nn[nH]n4)n3)C[C@H]12	1588316843	WBKQHMXGDLOTDK-JZYVYDRUSA-N	321.182	1.087	50	20	DDGD	
COCCCOCCC(=O)NNc1ccc(C)c(C(=O)O)c1	1599226471	ZPWPOANIYPCLIZ-UHFFFAOYSA-N	310.350	1.580	50	20	DDGD	
CN(NC(=O)Nc1cccc(-n2cc(C(=O)O)nn2)c1)C1CC1	1598540601	AUJHZXGEYRGPEL-UHFFFAOYSA-N	316.321	1.096	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)NOC/C=C\Cl	1593165810	HMBWJWVUSAVFAM-DJWKRKHSSA-N	309.717	1.177	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1ccccc1O[C@@H](C)C(=O)O	1599242487	RERWNPWMWDNSIG-GJSJWPQCSA-N	318.329	1.208	50	20	DDGD	
O=C(NN=Cc1ccc(F)nc1)c1cccc(-c2nn[nH]n2)c1	1593154912	PFPSKHOYHHCFOP-UHFFFAOYSA-N	311.280	1.165	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(Cl)c(F)c(C(=O)O)c1	1598883971	BLKXTMANUAMYPD-UHFFFAOYSA-N	305.649	1.570	50	20	DDGD	
CC(C)c1nccn1CC(=O)NNc1ccc(C(=O)O)cn1	1592039497	KPVYCWWRVIDOHH-UHFFFAOYSA-N	303.322	1.243	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1590193459	OKGJSKRBUFGYHO-SBMIAAHKSA-N	302.338	1.123	50	20	DDGD	
O=C(O)[C@H](C(=O)NNc1cccc(Br)n1)C1CC1	1594835091	COBAADQLIOBFIF-VIFPVBQESA-N	314.139	1.398	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H](C(=O)O)C(C)(C)C)n1	1594453618	VXAJWXFLEKZIIY-VIFPVBQESA-N	300.746	1.628	50	20	DDGD	
CCOc1cnc(C(=O)NNc2cccc(C(=O)O)c2F)cn1	1597186235	QELNIGYCNKGSGA-UHFFFAOYSA-N	320.280	1.470	50	20	DDGD	
Cc1ccc(-c2nn[nH]n2)cc1C(=O)NNC(=O)OC(C)(C)C	1592100166	RWRZLBNSFWRFPN-UHFFFAOYSA-N	318.337	1.345	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@H](C(=O)O)C1CCCC1	1594707035	YHNWHXVAYSFWIA-CQSZACIVSA-N	322.336	1.407	50	20	DDGD	
CC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Cl)C2	1795912322	AGUPZONZHSXWMD-KZVJFYERSA-N	312.719	1.814	50	20	DDGD	
Cc1nnc(NNC(=O)CCc2c[nH]c3ccccc23)nc1O	11335072	VKLJNYMYIYNYCL-UHFFFAOYSA-N	312.333	1.443	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)c1ccccc1	14283167	LCBHDLPRRKJBLK-NHYWBVRUSA-N	312.325	1.676	50	20	DDGD	
C[C@@H]1CCCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1	16446133	SKYDMWDMIVVCTD-LLVKDONJSA-N	320.349	1.088	50	20	DDGD	
C[S@](=O)Cc1cccc(C(=O)NNC(=O)c2ccccc2)c1	16482902	RCLUPBWVLPTOLM-JOCHJYFZSA-N	316.382	1.640	50	20	DDGD	
COC(=O)NNC(=O)Cc1csc(Cc2ccc(F)cc2)n1	158883667	VSZWQMQZCUEENA-UHFFFAOYSA-N	323.349	1.803	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1	160472061	RYZKNHMTWSIIGJ-CABCVRRESA-N	319.405	1.765	50	20	DDGD	
CC(C)CC(=O)NCCC(=O)NNc1cccc([N+](=O)[O-])c1	151807885	IVYDLLRCGZSMFS-UHFFFAOYSA-N	308.338	1.590	50	20	DDGD	
N#Cc1cccc(NNC(=O)Cn2nnc(-c3ccccc3)n2)c1	152654166	CNPINFYXEQYPQX-UHFFFAOYSA-N	319.328	1.355	50	20	DDGD	
N#Cc1cccc(NNC(=O)Cn2c(=O)oc3ccccc32)c1	152442606	QHJUZAFWCPEBCU-UHFFFAOYSA-N	308.297	1.609	50	20	DDGD	
COc1cccc([C@@H](C)C(=O)NNC(=O)c2cc(C)n[nH]2)c1	153235485	RLWHVEQZBYRMMK-SNVBAGLBSA-N	302.334	1.291	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)c(F)c2)[nH]n1	153287706	UUMCHNZMYRYRNT-MRVPVSSYSA-N	324.287	1.225	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2ccccc2Br)CC1	153634241	HPDGCNFFTJKFRF-UHFFFAOYSA-N	312.167	1.418	50	20	DDGD	
CCc1n[nH]c(=O)c(C(=O)NNc2ccc(C#N)cc2)c1CC	155456150	OJVOTSPUKGHVIO-UHFFFAOYSA-N	311.345	1.523	50	20	DDGD	
O=C(NN=C1C2CC3CC(C2)CC1C3)[C@H]1CCS(=O)(=O)C1	7324312	PYKRKLXSPSGGDU-CDDJZMMKSA-N	310.419	1.349	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNC(=O)c1cc(Cl)ccc1O	7707466	DCEZYAUNTAUXID-BQYQJAHWSA-N	309.709	1.251	50	20	DDGD	
CO[C@@H](C)C(=O)NNC(=O)COc1cc(C)ccc1C(C)C	54872541	INUSQBYMNNDRIG-LBPRGKRZSA-N	308.378	1.680	50	20	DDGD	
CNC(=O)NNC(=O)CCCc1nc(-c2cccs2)no1	56376498	MIYZEPJLHVZDLD-UHFFFAOYSA-N	309.351	1.081	50	20	DDGD	
CCCc1noc(CCCC(=O)NNc2ccc(Cl)nn2)n1	118502336	NXWRRIJDNDPISN-UHFFFAOYSA-N	324.772	1.932	50	20	DDGD	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)C1CC1	22599185	ZPPWBQBSNNJTFY-QMMMGPOBSA-N	309.347	1.633	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cn1	117681027	QMYRCAKUPGJXGV-QWHCGFSZSA-N	318.764	1.638	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1	176142832	ZJGDCZNMBLWHJH-ZDUSSCGKSA-N	308.357	1.093	50	20	DDGD	
CNC(=O)[C@@H](C)CN(C)/C(=C/C#N)c1ccc([N+](=O)[O-])cc1	177367317	HZPAAUYFJZZDKU-KYJZABPNSA-N	302.334	1.773	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@H](NC(C)=O)C(C)C)c1ccccc1	110339905	PHNPIYAMGRPJGI-HUUCEWRRSA-N	319.405	1.488	50	20	DDGD	
CSCCNC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	113370992	YSQVAPHXEIJUMD-UHFFFAOYSA-N	319.390	1.179	50	20	DDGD	
Cc1cc2c(cc1C)O[C@H](C(=O)NNc1ncnc3nc[nH]c13)C2	173934794	JCNULMNQWNOYDQ-LBPRGKRZSA-N	324.344	1.417	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)s1	26974856	IZWQOTPJJYXRKY-LBPRGKRZSA-N	318.354	1.658	50	20	DDGD	
CC(C)Oc1ccccc1C(=O)NNC(=O)c1cnn(C)c1	117680361	LQMGJFALWANLDV-UHFFFAOYSA-N	302.334	1.282	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cc(Cl)nc(Cl)c2)cn1	117680204	FUFXIBZRXUDSAW-UHFFFAOYSA-N	314.132	1.197	50	20	DDGD	
Cc1cccc(C)c1C(=O)NNC(=O)CNC(=O)c1ccco1	175178172	WBAJLPBBSLHNJL-UHFFFAOYSA-N	315.329	1.087	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCC(=O)OC(C)(C)C	173042966	TVWBXZMCAYUIEJ-UHFFFAOYSA-N	315.801	1.810	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ncccn2)cc1Cl	120067548	LNCMZGMSBALBPS-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
C[C@@H](OCC1CC1)C(=O)NNc1ccc(C(F)(F)F)nn1	124171227	LYUVAHVKNVTBDR-SSDOTTSWSA-N	304.272	1.754	50	20	DDGD	
CCCc1cnc(NC(=O)NNC(=O)Cc2ccncc2)s1	184055409	MKRUOZZOFLJUGN-UHFFFAOYSA-N	319.390	1.886	50	20	DDGD	
CCN1CCC[C@H]1CNC(=O)c1c(C)nn(CCCl)c1C	72825789	RRKHXJNNANRBGY-ZDUSSCGKSA-N	312.845	1.953	50	20	DDGD	
CC(C)(C)c1ccccc1NC(=O)C(=O)NNc1ncccn1	120046787	MZZOAOCKBKCGGZ-UHFFFAOYSA-N	313.361	1.856	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(F)cc2[N+](=O)[O-])n1	180740521	NZRRBTGIFPFKNP-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCO1)c1cc2ccccc2cc1O	32742871	PSXZDLDZKNULIZ-CQSZACIVSA-N	300.314	1.485	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)c1cc(Br)c[nH]1	124421382	JABFOCDEDMVQMP-MRVPVSSYSA-N	320.212	1.680	50	20	DDGD	
Cc1ccc(CCCCC(=O)NNC(=O)Cc2cc[nH]n2)cc1	186138427	NFPXFPPNQJKJQB-UHFFFAOYSA-N	314.389	1.821	50	20	DDGD	
Cn1ccc(CC(=O)NNC(=O)c2cccc(OC(F)F)c2)n1	181343126	FMOPZKPHXWAJBO-UHFFFAOYSA-N	324.287	1.025	50	20	DDGD	
CC(C)CCCNC(=O)NNC(=O)COc1ccccc1C#N	79250728	KDMXJCKIJZPVKW-UHFFFAOYSA-N	318.377	1.704	50	20	DDGD	
C[C@H](CN1CCCCC1)NC(=O)NNc1ccc(Cl)nn1	127497695	DUUIVVZPJLSRQH-SNVBAGLBSA-N	312.805	1.631	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccccc1-n1nccc1C	184326854	FPCHNBPXXNZUBG-UHFFFAOYSA-N	317.349	1.370	50	20	DDGD	
COc1ccc(F)cc1CC(=O)NNC(=O)Cc1cccnc1	186593204	AXMXBBIMUNEBLL-UHFFFAOYSA-N	317.320	1.162	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)COc1ccc(F)cc1	124923912	CCKBINVDZOSHHL-NSHDSACASA-N	300.355	1.494	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1[nH]nc2c1CCCC2	123495452	UZQAHXYJERNQKE-UHFFFAOYSA-N	323.356	1.845	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNc1nc(-c2ccccc2)no1	188859560	DKXATTRWELNLIK-UHFFFAOYSA-N	304.306	1.521	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)Cc2cccc3ccccc23)c1N	186416614	SKQXNVMNJARSDQ-UHFFFAOYSA-N	323.356	1.159	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(CCc1ccccc1)CC(=O)OC	182554266	JDWVTDBZTLAGRP-FYWRMAATSA-N	316.357	1.675	50	20	DDGD	
O=C(NNc1ccncc1)[C@H]1CN(Cc2ccccc2)CCO1	180540115	LZGGMBDEIUSCRE-MRXNPFEDSA-N	312.373	1.426	50	20	DDGD	
O=C(CCOC[C@@H]1CCCO1)NNc1ccc([N+](=O)[O-])cc1	134061605	FJNSLERKCSRCCX-ZDUSSCGKSA-N	309.322	1.624	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNc1cccc(OC)n1	180714890	KTIGBLXHGJTIOB-LLVKDONJSA-N	306.366	1.324	50	20	DDGD	
N#Cc1ccnc(SCC(=O)NNC(=O)c2cccs2)c1	77907894	STVQAYZCEKHTBA-UHFFFAOYSA-N	318.383	1.568	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)C1(C#N)CCC1	134534643	NAOWLQCMQSIXPK-UHFFFAOYSA-N	307.737	1.803	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNc2ccc([N+](=O)[O-])cc2)cc1	134197744	VXTMHQFFVISGPS-UHFFFAOYSA-N	312.285	1.989	50	20	DDGD	
COc1nccnc1NNC(=O)Cc1ccc(F)cc1Cl	132153791	AXJCIRPRJXEWKU-UHFFFAOYSA-N	310.716	1.964	50	20	DDGD	
Cc1cc(NNC(=O)C2=NN(CC(C)C)C(=O)CC2)nc(C)n1	139371517	JLMSFGAHNGACHD-UHFFFAOYSA-N	318.381	1.171	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2c[nH]nc2C)cnn1CC(C)C	132321482	XLKRGMHLOCPYFF-UHFFFAOYSA-N	318.381	1.208	50	20	DDGD	
O=C(Cc1ccc(F)cc1Cl)NNC(=O)c1ccncc1	133465220	DGCDEFPSZHGDTN-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
COc1nccnc1NNC(=O)C[C@H](C)c1c(C)n[nH]c1C	132076403	PMAXCLHLQGXDJP-QMMMGPOBSA-N	304.354	1.462	50	20	DDGD	
CS(=O)(=O)c1ccccc1C(=O)NNc1ccc(F)cc1	45970036	LFNIPDFNWCGZRR-UHFFFAOYSA-N	308.334	1.986	50	20	DDGD	
C[C@@H](CNC(=O)NNc1cccc(C#N)c1)CN1CCCC1	80049426	XBKPWJLSHDRDAM-ZDUSSCGKSA-N	301.394	1.916	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1csc(Cc2ccccc2)n1	190070779	BKVBODOLLLKWND-UHFFFAOYSA-N	319.386	1.266	50	20	DDGD	
O=C(CCCCc1c[nH]nn1)NNc1cnc2ccccc2n1	193525798	ORAABWWUZZHRHS-UHFFFAOYSA-N	311.349	1.604	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1cn(C(C)(C)C)nn1	191216317	ANWVESSKZHXDAA-XFXZXTDPSA-N	305.382	1.483	50	20	DDGD	
Cn1c(=NNC(=O)c2ccnc(O)c2)sc2ccccc21	255393459	FRTWZQRMGJILDL-UHFFFAOYSA-N	300.343	1.586	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)/C=C\SCc2ccco2)[nH]n1	255767339	FFEUBUYTNAMPNM-XQRVVYSFSA-N	306.347	1.519	50	20	DDGD	
C[C@@H]1CC[C@H](CCC(=O)NNc2nc(-c3cccnc3)no2)O1	266468262	RXPXIGJDKMHWKQ-ZYHUDNBSSA-N	317.349	1.922	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@H]1CCN(C2CC2)C1	265429865	MOZNBJZRHWAZOH-CYBMUJFWSA-N	324.856	1.953	50	20	DDGD	
CC[C@@H](C)Oc1ccc(C(=O)NNc2nccn(C)c2=O)cc1	267438585	BRYCQHKZNAKUTK-LLVKDONJSA-N	316.361	1.715	50	20	DDGD	
CO[C@@H](C)CCNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	263933328	WWIZLNLMZNHWIZ-NGPAHMQLSA-N	300.362	1.653	50	20	DDGD	
CCCCN(C(=O)/C(C#N)=C/OCC)[C@@H]1CCS(=O)(=O)C1	269502932	XNCJPHNDZRVIBR-RSKUSDAESA-N	314.407	1.246	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)C(=O)NNC(=O)c1ccccc1F	264602510	FAHHJOQIYHFNRE-MRVPVSSYSA-N	304.325	1.730	50	20	DDGD	
C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)C1CCC1	264786550	RAKHHUMMFYSEER-SECBINFHSA-N	323.780	1.406	50	20	DDGD	
CCn1cnnc1CNC(=O)NNc1ncnc2ccsc12	268695429	BOTPDZDYWVGJJS-UHFFFAOYSA-N	318.366	1.129	50	20	DDGD	
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NNc1ccc(Cl)nn1	268102619	AJIQHDCDYVCEPY-SCZZXKLOSA-N	310.789	1.239	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)c1cccc(OC)c1O	266524978	JEVNTEZRMPXDCJ-UHFFFAOYSA-N	308.334	1.145	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NOC1CCCC1	271604429	BFBQYYBPJGCSAJ-UHFFFAOYSA-N	307.350	1.408	50	20	DDGD	
CN(NC(=O)c1ccccc1NC(=O)OC(C)(C)C)C(N)=O	272247164	YNKGGCQCOMCMFH-UHFFFAOYSA-N	308.338	1.689	50	20	DDGD	
CN(C)C1(CNC(=O)NNC(=O)c2ccccc2F)CCC1	275377570	AJAPQDGIXNPXQU-UHFFFAOYSA-N	308.357	1.254	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1ccc2ncsc2c1	274024087	CKQUGJBFYMUBMU-UHFFFAOYSA-N	320.374	1.428	50	20	DDGD	
COC1(C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)CCC1	272903966	KJSBBQORJKMFNK-ZDUSSCGKSA-N	320.389	1.787	50	20	DDGD	
COc1ccccc1C(C)(C)C(=O)NNc1nccnc1OC	274046411	GGOKKMJBKBEKJZ-UHFFFAOYSA-N	316.361	1.915	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O	276780806	VCRFOMFITKQBQH-RKDXNWHRSA-N	316.283	1.290	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccncc1Br	272642828	DVEFGWSCOCVWIQ-UHFFFAOYSA-N	301.144	1.150	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CC23CCOCC3)cc1	364358889	MMRQWYDTPGRQRD-AWEZNQCLSA-N	317.389	1.371	50	20	DDGD	
Cn1ccnc(NNC(=O)C2(Cc3ccc(F)cc3)CC2)c1=O	275874276	NOBYCNQHZIBPDX-UHFFFAOYSA-N	316.336	1.385	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccn(CC(F)(F)F)n1	275978019	CBBUTIHMXHOHLN-UHFFFAOYSA-N	308.264	1.143	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C(=O)N2CCC(C)CC2)c1	278474278	UIJWAEITKZSAOK-UHFFFAOYSA-N	309.341	1.536	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)/C(C#N)=C\c2ccc(O)cc2)[C@@H]1OC	280143105	HGRHFGJKWPSUCI-XVUPDDKJSA-N	316.357	1.608	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)N[C@@H](C1CC1)C(F)(F)F	288829446	MYEQRQNKNUZTBS-JTQLQIEISA-N	317.267	1.677	50	20	DDGD	
CN1Cc2ccccc2[C@H](NC(=O)NNC(=O)CC(C)(C)C)C1	372293942	KKXFGHXECWTJII-CQSZACIVSA-N	318.421	1.940	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1C(=O)NNC(=O)Cn1nc(C)cc1C	280308128	QBXPUNNTMZCKNP-KGLIPLIRSA-N	306.410	1.864	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1c(C)coc1C	284219906	GIVYHWALMDOXKP-UHFFFAOYSA-N	318.329	1.745	50	20	DDGD	
CCSCCCNC(=O)NNC(=O)c1cccc(N(C)C)c1	282628665	BZEAGPPXOWXITQ-UHFFFAOYSA-N	324.450	1.840	50	20	DDGD	
CC(C)(C)OCC(=O)NNC(=O)Nc1cc(F)cc(F)c1	283816741	YNBUSLBNGYFZET-UHFFFAOYSA-N	301.293	1.933	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1	289007442	UMSFCUSVTZWWRC-UHFFFAOYSA-N	312.269	1.597	50	20	DDGD	
COCCN(C)NC(=O)c1cc(Br)ccc1O	293564227	IHPKKQWRCUCHBR-UHFFFAOYSA-N	303.156	1.378	50	20	DDGD	
Cc1nc(C(C)C)nc(O)c1C(=O)NNc1cccc(F)n1	804771362	UGZNIDATHWFVRU-UHFFFAOYSA-N	305.313	1.905	50	20	DDGD	
CN(C)[C@H](C(=O)NNC(=O)[C@H]1CCCCO1)c1ccccc1	295686189	YODLITWMMSRKEE-KGLIPLIRSA-N	305.378	1.006	50	20	DDGD	
O=C(CCCNC(=O)c1ccc(F)cc1)NNC(=O)CC1CC1	294201753	PKVVDKNOLQZLKJ-UHFFFAOYSA-N	321.352	1.283	50	20	DDGD	
C[C@@H](C(=O)NNc1ccncn1)[C@H]1OCCc2sccc21	295453404	LGPMKOTVOSSASI-NOZJJQNGSA-N	304.375	1.931	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(O)ccc1Cl	294383449	CPHGZHSWBNANNY-UHFFFAOYSA-N	319.839	1.518	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2c(C)cccc2F)sn1	806983980	UUJQKDPRMHRLAL-UHFFFAOYSA-N	308.338	1.981	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cncc(C(F)(F)F)c1	808401143	BHEXOCXLCQCKRI-UHFFFAOYSA-N	324.262	1.499	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNC(=O)Cn1cnc2ccccc21	299271854	XAHNUYGPZKLYDC-LBPRGKRZSA-N	318.377	1.389	50	20	DDGD	
C=CCNC(=S)NNC(=O)C(C)(C)COCc1ccccc1	801103075	XWSJQECPBGVQMS-UHFFFAOYSA-N	321.446	1.911	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)c2cn(C)cn2)c1	802110530	KJUPNXXEZBTNGG-UHFFFAOYSA-N	323.740	1.549	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CC2)c(C)n1Cc1ccccn1	298431524	OCMPYVBERIQLJP-UHFFFAOYSA-N	312.373	1.719	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)[C@H]1CCCCO1	295552101	MAHLXDNMQRSBIH-OUCADQQQSA-N	324.327	1.785	50	20	DDGD	
O=C(CC[C@H]1Cc2ccccc2NC1=O)NNc1ccncn1	295372216	DQSFSRABNNRGHP-LBPRGKRZSA-N	311.345	1.511	50	20	DDGD	
CN(NC(=O)c1cc([N+](=O)[O-])ccc1O)C(=O)OC(C)(C)C	297707865	PYQUSNUHTNMKNZ-UHFFFAOYSA-N	311.294	1.812	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2ncnc3[nH]cnc23)c2ccccc21	806892719	KNSIYYGWWJAKAV-NSHDSACASA-N	322.328	1.556	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cccc(Cl)n2)nc1	817009154	XEDYNANGMILHBY-UHFFFAOYSA-N	306.709	1.674	50	20	DDGD	
CN(C)N(C(=O)[C@H]1CC2CCC1CC2)[C@@H]1CCS(=O)(=O)C1	816776755	GAOCAUHSIKHCFN-PQAZSJQKSA-N	314.451	1.305	50	20	DDGD	
CCCOc1cccc(CC(=O)NNC(=O)c2ccnnc2)c1	817693085	IIVRVBGHJWTPIL-UHFFFAOYSA-N	314.345	1.269	50	20	DDGD	
CCO[C@@H](C)c1ncc(C(=O)NNc2ncncc2F)s1	817081371	BWNHZCKJLSTYCZ-ZETCQYMHSA-N	311.342	1.927	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CC2CC2)cc2c1O[C@@H](C)C2	819104039	GOWWBEZESGHARK-VIFPVBQESA-N	304.346	1.580	50	20	DDGD	
CC(CC1CC1)=NNC(=O)Nc1ccc(S(N)(=O)=O)cc1	814967587	QSKFLEKFNWGZIZ-UHFFFAOYSA-N	310.379	1.632	50	20	DDGD	
COc1ccc(NCC(=O)NN=C(C)c2csc(N)n2)cc1	812382787	SPFZDIDRPUJQSI-UHFFFAOYSA-N	319.390	1.686	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1[N+](=O)[O-])c1c[nH]nc1C	814744170	TZKGGICJCRUGQD-UHFFFAOYSA-N	317.305	1.546	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)CCc1cncs1	814408105	QLTBVQNEWGOVFA-UHFFFAOYSA-N	319.386	1.692	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@]2(C)CC2(F)F)c1O	817711355	ZSLLTWVJYIDBSP-GFCCVEGCSA-N	300.261	1.207	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)CCCC(=O)NC(C)C	816338093	VCGUWFGQPPALAL-UHFFFAOYSA-N	311.357	1.972	50	20	DDGD	
C[C@@H]1C(=NNC(=O)C(C)(C)O)CCCN1Cc1ccccc1	814910134	RLNQKAMOIRLPOW-CYBMUJFWSA-N	303.406	1.914	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CSC[C@@H]1CCCCO1	727493236	KFKHFIBCXNPBQS-JTQLQIEISA-N	319.496	1.583	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1ccc(O)c(F)c1	814951760	UNNXCOHVJNZUDI-UHFFFAOYSA-N	304.277	1.766	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(C)c(OCC(=O)O)c(C)c1	829865452	DGORWYIAUMZNDD-UHFFFAOYSA-N	310.306	1.158	50	20	DDGD	
CCOC(=O)NN=Cc1ccc(OC(F)(F)C(=O)O)cc1	490830397	DZGHKGGVCIAKPT-UHFFFAOYSA-N	302.233	1.823	50	20	DDGD	
CCC(CC)CC(=O)NNC(=O)CNC(=O)OC(C)(C)C	494452059	IZDUVIOCJUCYIV-UHFFFAOYSA-N	301.387	1.485	50	20	DDGD	
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)C(C)(C)C	491011245	VQLYLNUTIDSUTM-JTQLQIEISA-N	315.414	1.729	50	20	DDGD	
O=C(NCCCC1CCC1)NNc1ccc(-n2cccn2)nn1	822451944	SMORZYKAGXKMMO-UHFFFAOYSA-N	315.381	1.869	50	20	DDGD	
O=C(NC[C@@H]1CN2CCC[C@H]2CO1)NNc1ccc(F)cc1	729618662	KZJYKIHNOXVKQK-UONOGXRCSA-N	308.357	1.315	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCC(=O)c1ccc2c(c1)CCC2	823988967	YRVPQIOUTVPSOC-GFCCVEGCSA-N	304.390	1.482	50	20	DDGD	
O=C(/C=C\c1cccc(O)c1)NNC(=O)Cc1ccccc1F	492669192	KLCZHQDQTKDTHM-HJWRWDBZSA-N	314.316	1.935	50	20	DDGD	
N#C/C(=C/c1ccc(OCC(=O)O)cc1)C(=O)N1CCCC1	490588192	RXONFWMBDZWNBN-LCYFTJDESA-N	300.314	1.679	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)N[C@H]1CCc2ccc(O)cc21	822672006	OQURPIKHLRUUKQ-UONOGXRCSA-N	319.361	1.279	50	20	DDGD	
CCN(CCO)NC(=O)CCC(=O)c1ccc(OC)c(F)c1	823865093	IPPWLPGKCBVDMG-UHFFFAOYSA-N	312.341	1.143	50	20	DDGD	
CCOc1ccc(C=NNC(=O)C(=O)NC(C)C)cc1OCC	728694171	JOBRLZNSZMXSMD-UHFFFAOYSA-N	321.377	1.459	50	20	DDGD	
COc1ccc(C2(C(=O)NN(C)[C@H](C)CO)CCCC2)cc1	823965664	RKKLOSBLTLNEDP-CYBMUJFWSA-N	306.406	1.851	50	20	DDGD	
COC(=O)NNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C	495767998	CADLZHRNMQUEBI-UHFFFAOYSA-N	308.725	1.835	50	20	DDGD	
CCN(CC)[C@H]1CCN(C(=O)/C(C#N)=C\c2cnn(C)c2)C1	491012771	SBZMLCIVSFCSMH-OWTLUSIOSA-N	301.394	1.270	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Nc2ccn(CC)n2)cc1	824939366	SYOJKCMAAJCHIB-UHFFFAOYSA-N	301.350	1.932	50	20	DDGD	
OB(O)c1ccc(-c2noc([C@@H]3C[C@H]4[C@@H](C3)C4(F)F)n2)cc1	585051624	KKXGBHRPGBPPPJ-GUDFOSOFSA-N	306.077	1.175	50	20	DDGD	
Cn1nc(C(=O)NNc2cnc3ccccc3n2)c2c1CCCC2	829345229	IRWHIJSVIOETCJ-UHFFFAOYSA-N	322.372	1.999	50	20	DDGD	
Cc1c(Cl)c(C(=O)NN(C)C(=O)OC(C)(C)C)nn1C	496050258	SQKRHLKPDIHLLQ-UHFFFAOYSA-N	302.762	1.894	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)CCCc2ccccc2)CO1	825886060	SXJVPUWEVCRULI-TZMCWYRMSA-N	305.378	1.517	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N(C)[C@@H](C)c1ccncc1	827300806	UMQWAAPDKZYBIC-GMXVVIOVSA-N	306.366	1.240	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CC1(C)C	823913435	ULEKFYJDUXYNSD-ZUZCIYMTSA-N	300.399	1.088	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](O)c1ccccc1C(F)(F)F	907252167	BQKCKJWYNIKWNO-SNVBAGLBSA-N	319.283	1.431	50	20	DDGD	
COCCN(Cc1cccs1)C(=O)NNC(=O)C(C)(C)C	731499117	JWRWLWIDANVNRI-UHFFFAOYSA-N	313.423	1.983	50	20	DDGD	
Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc(B(O)O)cc3)C2)cc1	584982320	GOWMTOZXXFNVFH-YOEHRIQHSA-N	323.201	1.693	50	20	DDGD	
CC(C)CN1C[C@H](C(=O)NNc2ncccc2Cl)CC1=O	734245857	AMOCYZPBFITSGX-SNVBAGLBSA-N	310.785	1.683	50	20	DDGD	
O=C(NNc1cccc(Br)n1)[C@H]1C[C@]12CCOC2	837211915	MGBRAKXLFGKBGM-PELKAZGASA-N	312.167	1.714	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1	837627512	WEEDNCHFIZIWHM-UHFFFAOYSA-N	308.378	1.865	50	20	DDGD	
CCN(C)c1ccc(/C=C(/C#N)C(=O)N[C@H](C)COC)cn1	491106510	SPJYTAQFDVMMPZ-UGMNDJHYSA-N	302.378	1.596	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@](C)(O)C2CCC2)ccc1F	837039589	RKZYBPMUBVKLSQ-OAHLLOKOSA-N	310.325	1.607	50	20	DDGD	
O=C(NCB(O)O)c1ccc(CSc2ccccc2)cc1	585058659	LZKXGPOMDGTQEA-UHFFFAOYSA-N	301.176	1.721	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(C(=O)O)c(F)c2)c(C)o1	832864864	VVBKCYXKCXHEML-UHFFFAOYSA-N	320.276	1.809	50	20	DDGD	
CO[C@]1(C)C[C@H](NC(=O)NNC(=O)[C@@H]2CCCCO2)C1(C)C	836336027	UQQJCRSBMIOIOO-ZIBATOQPSA-N	313.398	1.090	50	20	DDGD	
CC[C@@H](C)CC=NNC(=O)Cn1nnc(-c2ccccc2)n1	834919969	IUQZHVLUYDZNFC-GFCCVEGCSA-N	300.366	1.878	50	20	DDGD	
COc1nc(C)cc(C)c1CNC(=O)NNc1ccc(C)nn1	730025915	SFRKEGSEZLEURP-UHFFFAOYSA-N	316.365	1.632	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CC[C@H](c3ccccc3F)C2)o1	585039951	XPKANVGXJRJNRW-NWDGAFQWSA-N	303.142	1.524	50	20	DDGD	
CCO[C@@H]1COC[C@H]1NC(=O)NNc1ncnc2ccsc12	836650464	NCQZMJYKRORAPF-NXEZZACHSA-N	323.378	1.121	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC[C@@H]1C1OCCO1	907671265	VAUGWBXTNCFNIQ-SNVBAGLBSA-N	311.831	1.419	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)NNC(=O)N=c2cc[nH]cc2)C[C@H]1C	838551187	WGXVGLURIPTYFE-WZRBSPASSA-N	305.382	1.664	50	20	DDGD	
Cc1nc(Cl)sc1C(=O)NNC(=O)[C@H]1CCCCO1	833246530	MELWRYLRFSIDPB-SSDOTTSWSA-N	303.771	1.435	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2cc(Cl)ccn2)[C@@H]2CCCC[C@@H]2N1	831795089	XALVZIJLHRPYBX-SRVKXCTJSA-N	322.796	1.873	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCC1CCCCCC1	836596654	LYMPSKPJECQPNU-UHFFFAOYSA-N	304.394	1.925	50	20	DDGD	
C=COc1ccc(NC(=O)C(=O)NNC(=O)C2CCC2)cc1	839515418	ZEZDRRAKLVTVDB-UHFFFAOYSA-N	303.318	1.095	50	20	DDGD	
CC1CCN(C[C@H](C)C(=O)NN=C2CCn3ccnc32)CC1	834932791	KKZFZBGBTXVYJP-ZDUSSCGKSA-N	303.410	1.475	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCCc1cccc(OC)c1OC	917601932	CDIXTPNFKHTDFD-ACCUITESSA-N	304.346	1.806	50	20	DDGD	
C[C@]1(C(=O)N2CCN(CCC#N)CC2)C[C@H]1Br	913761325	HIXWAZROEIJJTH-PWSUYJOCSA-N	300.200	1.218	50	20	DDGD	
O=C(C[C@H]1CCC(=O)N1)NNc1ccc(C(F)(F)F)cc1	830791199	CLZVGGJYBHXQGN-SNVBAGLBSA-N	301.268	1.817	50	20	DDGD	
CNC(=O)C[C@H](C)NC(=O)NNc1ccc(Cl)c(F)c1	838696260	ATEMTGRBVHENCD-ZETCQYMHSA-N	302.737	1.630	50	20	DDGD	
O=C(C[C@@H]1CCC(=O)N1)NNc1cccc(Br)c1	830766395	GEENCOCSEIXIKI-VIFPVBQESA-N	312.167	1.561	50	20	DDGD	
Cc1cc(C=NNC(=O)CN2CCCC2=O)c(C)n1C1CC1	916357728	HFTMIALXCWACQV-UHFFFAOYSA-N	302.378	1.512	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NCCCCC#N)ccc1F	838289092	QCKMVKSXSIMBCF-UHFFFAOYSA-N	308.313	1.932	50	20	DDGD	
CN(C)C(=O)NN=C1C(=O)Nc2c1cccc2C(F)(F)F	745601680	HFFHVOOWOJMREH-UHFFFAOYSA-N	300.240	1.633	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@H](C)C(=O)NNC(=O)C1CCCC1	741905112	NOUOJHYHHZTPCD-JTQLQIEISA-N	306.410	1.553	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)NCC1CC1)C(=O)OC(C)(C)C	843774558	CRWQJSHIJOJHRV-NSHDSACASA-N	313.398	1.341	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=S)NCC(C)C	916112778	GURHOWJCXAPSDX-UHFFFAOYSA-N	310.423	1.258	50	20	DDGD	
C[C@H](N)[C@@H](C)NC(=O)NNC(=O)c1ccc(Cl)cc1Cl	842008099	VPVBXZPONHEKPH-NKWVEPMBSA-N	319.192	1.673	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccc(OC)cc1	843663432	XJLLYRMYAIWGKY-BYCMXARLSA-N	320.389	1.761	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)[C@H](C)CN2CCOCC2)cc1	916361765	FMZHATVGFRKWME-CYBMUJFWSA-N	319.405	1.504	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)O)[nH]1)c1ccc2c(c1)OCO2	749807734	OCHMTYLIPCIMDD-UHFFFAOYSA-N	301.258	1.206	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cnn(-c3cccnc3)c2)cc1	748126412	OPGCFBPMIUZDQC-UHFFFAOYSA-N	304.313	1.896	50	20	DDGD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)NN	841005838	BSYWMOWMPCPWLR-UHFFFAOYSA-N	312.395	1.165	50	20	DDGD	
CC[C@H](C(=O)NNc1ccc(CC(=O)OC)cc1)N(CC)CC	846374951	WQTOWVAEOXVRNS-OAHLLOKOSA-N	321.421	1.966	50	20	DDGD	
CS(=O)(=O)c1ccc(C=NNC(=O)NCC2CC2)s1	841620325	GWVOXONSPFAUAP-UHFFFAOYSA-N	301.393	1.195	50	20	DDGD	
COc1ccc2cc(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)[nH]c2c1	843972414	GWCISTBGSVDVEP-JOYOIKCWSA-N	317.345	1.363	50	20	DDGD	
CC(C)CS(=O)(=O)CCC(=O)N(C)CC(Cl)Cl	848081483	ZYQXLQKKPIMRNT-UHFFFAOYSA-N	304.239	1.709	50	20	DDGD	
O=C1O[C@H](C(=O)NNc2ccc(Cl)nc2)Cc2ccccc21	743818344	UEKPBFUWNJFLDE-LBPRGKRZSA-N	317.732	1.960	50	20	DDGD	
O=C(NNc1cccc(F)n1)N[C@H]1CCCN2CCCC[C@@H]12	848675262	VJBKMZPUNAJDBN-RYUDHWBXSA-N	307.373	1.864	50	20	DDGD	
C[C@H](c1ccccc1)[C@](C)(O)C(=O)NNC(=O)C1CCCC1	747360565	XRZDWJLBEZBBGG-PXAZEXFGSA-N	304.390	1.879	50	20	DDGD	
Cc1ccc(NNC(=O)COCCNC(=O)OC(C)(C)C)cc1	749193375	KQULLHRKHBRZGU-UHFFFAOYSA-N	323.393	1.979	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cccnc2N(C)C)cc1	915276425	XEQFHZWQGSYFDM-UHFFFAOYSA-N	312.373	1.785	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNC(=O)Cn1ccc2ccccc21	841107785	VJTAODJYXTVYAZ-HNNXBMFYSA-N	317.389	1.850	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(Cl)c1	843652764	KZTVCNDOTKNCCQ-PWSUYJOCSA-N	310.781	1.763	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H](C)CN2C[C@H](C)O[C@@H](C)C2)no1	841614706	PDPPNSLVKPMFJO-WXHSDQCUSA-N	308.382	1.178	50	20	DDGD	
CCCN1C[C@H](C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)CC1=O	842251927	UKHCPDXCQAYVBY-SECBINFHSA-N	324.312	1.436	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1nc(Cl)sc1Cl	848237171	UMMYPZLMVIHTQT-UHNVWZDZSA-N	324.189	1.636	50	20	DDGD	
Cc1nnc(NNC(=O)c2scnc2C(C)(C)C)nc1O	746881001	GYDWPKOVKNJWEA-UHFFFAOYSA-N	308.367	1.397	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc([C@H]2CCOC2)c1	843657179	BSVHSUZAYMIOJZ-CQDKDKBSSA-N	318.373	1.377	50	20	DDGD	
CCn1nncc1C=NNC(=O)c1cc(OC)cc(OC)c1	841610261	JPGZXZCISJDWCX-UHFFFAOYSA-N	303.322	1.079	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1nnn(-c2ccccc2)c1C	747610376	CLRGWPRAJQFLDJ-UHFFFAOYSA-N	321.344	1.520	50	20	DDGD	
COc1ncccc1NC(=O)NNc1ccnc(N(C)C)n1	740016696	UBOQQSAVSDXDEQ-UHFFFAOYSA-N	303.326	1.095	50	20	DDGD	
O=C(NNc1ccc(F)cn1)N[C@H]1CCCN2CCCC[C@H]12	848675043	PFDQONAQSGISJW-QWHCGFSZSA-N	307.373	1.864	50	20	DDGD	
CO[C@](C)(C1CC1)[C@H](C)NC(=O)NNc1nc(C)cc(C)n1	840416518	MLLFFMTUUQKYHR-NHYWBVRUSA-N	307.398	1.923	50	20	DDGD	
CCOc1ccc(NNC(=O)NC[C@@H]2CC(=O)N(CC)C2)cc1	845488292	STOPGBBKLBEOHJ-LBPRGKRZSA-N	320.393	1.580	50	20	DDGD	
CC(=O)[C@@H](C)SCC(=O)NNC(=O)c1ccc(C#N)cc1	751470732	PPHIFGDYIUECJO-SNVBAGLBSA-N	305.359	1.030	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cc3ccccc3o2)nn1C	757752828	HXRYXAFWTUSWCD-UHFFFAOYSA-N	313.317	1.941	50	20	DDGD	
COC(=O)C[C@H]1CN(C[C@H](CBr)C2CC2)CCO1	859157985	VVRXHLIRSXSNKB-RYUDHWBXSA-N	320.227	1.671	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C	753127698	ZDGPUFZWZYZDLM-UHFFFAOYSA-N	324.293	1.253	50	20	DDGD	
C[C@H](OC(=O)/C(C#N)=C\c1ccc(O)cc1)C(=O)NC1CC1	750665522	BUQSSLPPWAHJTD-UVIKPUKZSA-N	300.314	1.509	50	20	DDGD	
COc1ccc(NNC(=O)c2[nH]nnc2C)c(C(F)(F)F)c1	857264485	BGXCKPUDFUMHNX-UHFFFAOYSA-N	315.255	1.897	50	20	DDGD	
C#CC[C@@H](NC(=O)NNc1nccc(OC)n1)c1ccccc1	757772707	NVOKJIQRXZCABO-CYBMUJFWSA-N	311.345	1.876	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCC2SCCS2)c1	852057882	YYUWEYILSDCRJA-UHFFFAOYSA-N	322.415	1.308	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCCC(=O)NC(C)C)nc1	759738919	UMBHJUXSKPNWRH-UHFFFAOYSA-N	322.365	1.006	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)c(F)c1	855100267	YCZLEAXCEJVXDU-QMMMGPOBSA-N	323.393	1.936	50	20	DDGD	
CC(C[C@@H]1CCCC(=O)N1)=NNC(=O)c1cccc(Cl)n1	853410798	ZENGODLSEMXKTH-JTQLQIEISA-N	308.769	1.900	50	20	DDGD	
CCn1ncnc1CNC(=O)NC[C@]1(C)C[C@@H]1Br	856854645	OHRIRKXLUVATHS-KWQFWETISA-N	316.203	1.271	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=Cc1cccc(F)c1N	853406521	HGFOEIKTPPXKLV-UHFFFAOYSA-N	322.384	1.801	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H]2CCCN2CC(F)F)nc1	858747964	URYHAHLMIBAARV-NSHDSACASA-N	313.352	1.746	50	20	DDGD	
C[C@@]1(CNC(=O)NCC2(N)CCCC2)C[C@@H]1Br	857106661	WBXJIZZZQPEQEF-ONGXEEELSA-N	304.232	1.731	50	20	DDGD	
CO[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2O)C1(C)C	753552219	UDEPUNJGJJAEJB-NWDGAFQWSA-N	307.350	1.150	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1O)c1ccccc1F	754642137	QMLIGGYXPMZLJB-UHFFFAOYSA-N	319.248	1.514	50	20	DDGD	
Cc1c(Cl)c(C(=O)NNc2ncc(F)cc2F)nn1C	857533865	PHWFQEGPYPLCMB-UHFFFAOYSA-N	301.684	1.812	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2[C@H]3c4ccccc4C[C@H]32)n1	859795376	GDNZBDRZNWWAEV-VHDGCEQUSA-N	310.357	1.823	50	20	DDGD	
O=Cc1ccccc1OCC(=O)NNC(=O)OCC(F)(F)F	856023217	CNXFJSBPPNWQFS-UHFFFAOYSA-N	320.223	1.198	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cnc(C)n2C)c(OC)c1	853304366	KQUQPUPTXXCIEQ-UHFFFAOYSA-N	302.334	1.510	50	20	DDGD	
CCc1cccc(S(=O)(=O)NNC(=O)c2ccccn2)c1	751202173	HYVUUHQWYQKMQJ-UHFFFAOYSA-N	305.359	1.267	50	20	DDGD	
CC(C)CN1CCN(CCI)[C@H](C)C1=O	759452591	QARFOXYSAORERW-SNVBAGLBSA-N	324.206	1.610	50	20	DDGD	
O=C(Cn1cc2ccccc2n1)NNC(=O)CC(F)(F)F	855002486	WWZZRAOJTXLYGU-UHFFFAOYSA-N	300.240	1.136	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1scnc1C(F)(F)F	855001182	XCLLUCRSDDNONU-UHFFFAOYSA-N	321.202	1.875	50	20	DDGD	
COc1ncc(C(=O)NNc2ccc(C(F)(F)F)nn2)cn1	755188891	ACNREVXZOZOUBJ-UHFFFAOYSA-N	314.227	1.051	50	20	DDGD	
O=C(NNc1ncncc1F)c1cccc(C(F)(F)F)n1	857511044	DHYWZYWMPKHBEY-UHFFFAOYSA-N	301.203	1.786	50	20	DDGD	
C=C[C@@](C)(O)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	854249690	IJEZRTNDYYMXFN-OAHLLOKOSA-N	308.403	1.715	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)Cn2ccnc2C)c1C	854186385	KGSPWUGSAOGLDM-UHFFFAOYSA-N	317.418	1.826	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNC(=O)C2CCCC2)cn1C	757676613	VKAZMEYUCSUNNQ-UHFFFAOYSA-N	308.338	1.155	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CO[C@@H]2CCCC[C@@H]2C)nc1	759729205	PIZKEYUPTPDFTO-WCQYABFASA-N	321.377	1.907	50	20	DDGD	
C[C@@]1(CNc2nnc(Cl)cc2C(N)=O)C[C@H]1Br	856786969	SZHXFGCEQLHZMH-LDWIPMOCSA-N	319.590	1.814	50	20	DDGD	
O=C(NNC(=O)N1CCC([C@H]2CCOC2)CC1)C1CCCC1	753333806	BSYAVPBMZQJORJ-AWEZNQCLSA-N	309.410	1.666	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cc(F)cc(N2CCOCC2)c1	854214311	WGDWLTKDHRMCQC-UHFFFAOYSA-N	309.341	1.079	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(C)nn1[C@@H]1C[C@H]2CC[C@H]1C2	757910564	XSURRBROXHHHMU-SDDRHHMPSA-N	321.381	1.352	50	20	DDGD	
CC(C)(O)[C@@H](Oc1ccccc1)C(=O)NNc1ccncn1	854746489	BJRBOQJFLGHBKS-ZDUSSCGKSA-N	302.334	1.138	50	20	DDGD	
C[C@@]1(CNC(=O)CN2CCCCC2=O)C[C@H]1Br	857399230	QTMUSGCOSWELAE-SKDRFNHKSA-N	303.200	1.289	50	20	DDGD	
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)c2ccccc2)C1	851932813	QLCLEQIJMLWQKB-CYBMUJFWSA-N	304.394	1.503	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NC(C)(C)C(=O)N1CCCC1	867217456	IDZOUERVUYAIDB-UHFFFAOYSA-N	324.874	1.572	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNC(=O)CCc2ccccc2)n1	865085847	MBXZPZYIRGCXNJ-ZDUSSCGKSA-N	314.389	1.608	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cc(Cl)ccc1O)C1CCC1	863852758	ADZMGESVCLOSSU-UHFFFAOYSA-N	311.769	1.291	50	20	DDGD	
CCC[C@@H](NC(=O)[C@@H](Br)C(C)(C)C)c1nn[nH]n1	768245699	KHNFHWXGVLBLSP-HTQZYQBOSA-N	318.219	1.967	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1cnc(C)s1	761265816	CCVDDDFYWYNGTE-UHFFFAOYSA-N	303.347	1.325	50	20	DDGD	
CC(=O)NNC(=O)c1cnn(-c2ccccc2)c1Br	760160397	ZZMRLROCQPPMOM-UHFFFAOYSA-N	323.150	1.416	50	20	DDGD	
CCCN1C[C@@H](CNS(=O)(=O)CC(C)(C)CCl)CC1=O	867420815	XLVYPSHGNDWLPZ-LLVKDONJSA-N	324.874	1.429	50	20	DDGD	
N#Cc1cccc(CC(=O)NNCC(F)(F)C(F)(F)F)c1	863096355	FKBVEISJXBPEJU-UHFFFAOYSA-N	307.222	1.919	50	20	DDGD	
CCC(C#N)(CC)C(=O)NNC(=O)Cc1ccccc1OC	861765491	SXWSABJDCAFSRS-UHFFFAOYSA-N	303.362	1.715	50	20	DDGD	
CSC1CCN(C(=O)NNC(=O)c2cccc(F)n2)CC1	868790575	AZIFBEWWFDSVHJ-UHFFFAOYSA-N	312.370	1.403	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1nc2ccccc2n1C	767409029	CWQDVCGYFYQQGZ-UHFFFAOYSA-N	310.361	1.688	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)CCc2ccccc2O)CCC1=O	764176916	ZHSGYOSAVGLEIS-AAEUAGOBSA-N	318.373	1.478	50	20	DDGD	
Cc1ccc(CCCCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1	862454094	QIPZDUYVTGJATG-AWEZNQCLSA-N	317.389	1.134	50	20	DDGD	
COc1cccc(C=NNC(=O)[C@H]2CCC(=O)N2)c1OC(C)C	863146685	UCVTXHJPVFJSKE-GFCCVEGCSA-N	319.361	1.211	50	20	DDGD	
CC(C)(C(=O)NNc1cccc(F)c1Cl)S(C)(=O)=O	862510070	RPNAPSKUNOMXPD-UHFFFAOYSA-N	308.762	1.745	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)NC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12	769199155	ATBXCXOEDROXGQ-VDUILEQBSA-N	303.337	1.814	50	20	DDGD	
CN(CC(=O)NNc1c(F)cccc1F)[C@@H]1CCSC1	764305282	XMXXXGTXGVSJTD-SECBINFHSA-N	301.362	1.845	50	20	DDGD	
O=C(C[C@H]1C=CS(=O)(=O)C1)NNc1cccc(F)c1Cl	862506497	ZUTCFYTUDDEGAP-MRVPVSSYSA-N	318.757	1.871	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H]2CCc3cnc(C)n3C2)c1	862479259	IYCHCPOSZCUQIN-LLVKDONJSA-N	318.402	1.585	50	20	DDGD	
O=C(/C=C/CN1CCOCC1)NNc1cccc2c1CCCC2	866875133	SUNWRXZVVGPCHU-RUDMXATFSA-N	315.417	1.897	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NN=Cc2cnn(C)c2)n[nH]1	764796389	JNTNTVNHUVGGEP-UHFFFAOYSA-N	324.344	1.583	50	20	DDGD	
O=C(NNc1cccnn1)c1csc(-c2ncccc2F)n1	768408234	YBNWECKVBLNZSW-UHFFFAOYSA-N	316.321	1.891	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CNC(=O)c2cccs2)oc1C	767934381	SPOFRFDRGIDDMH-UHFFFAOYSA-N	321.358	1.149	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C2CCS(=O)(=O)CC2)c1	1116349015	WDVJZUDGKCBRAO-UHFFFAOYSA-N	316.354	1.102	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2csc3nccn23)o1	765813223	OPAKXJRSNAXPAI-UHFFFAOYSA-N	304.331	1.301	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)Cn2ccnc2C)cc1C	873761698	FTHYGWMRAPPFDN-UHFFFAOYSA-N	317.418	1.826	50	20	DDGD	
CNC(=O)c1ccc(C(=O)NNc2ccc3ccccc3n2)cn1	777465217	DRHSFQMFUQDUCM-UHFFFAOYSA-N	321.340	1.746	50	20	DDGD	
CC(=O)N(C)c1ccc(NC(=O)NNC(=O)C2CCC2)cc1	779357838	RHFGNUJOJHSOCC-UHFFFAOYSA-N	304.350	1.622	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)Nc1ccncn1	770763030	LLZWOHFKZLZWMK-UHFFFAOYSA-N	310.317	1.353	50	20	DDGD	
COCCOCC(=O)NN=C1CCCOc2cc(C)ccc21	872401736	HLYYGZDLPVBXRW-UHFFFAOYSA-N	306.362	1.651	50	20	DDGD	
COC(=O)c1ccnc(NC(=O)NNC(=O)c2ccccc2)c1	770681733	JINWYQXXBCQXEL-UHFFFAOYSA-N	314.301	1.335	50	20	DDGD	
O=C(Cc1ncccc1F)NNC(=O)c1ccccc1Cl	1116871971	PMXOGSRXYONTFV-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
COc1cccc(NNC(=O)[C@H](O)Cc2ccccc2Cl)n1	773726151	JMHFJRZXZAHGSN-GFCCVEGCSA-N	321.764	1.790	50	20	DDGD	
C=CCOc1cccnc1C(=O)NNC(=O)CC1CCCC1	775603797	HKCIJHPQISHXKF-UHFFFAOYSA-N	303.362	1.988	50	20	DDGD	
CCCN(CC(=O)NNC(=O)c1cccs1)CC(F)(F)F	777581871	HKYJHZAJRLSGRY-UHFFFAOYSA-N	323.340	1.783	50	20	DDGD	
Cc1cc(=NNC(=O)NCCCCN2CCC(C)CC2)cc[nH]1	875077228	DHRBBHUNSAWKCY-UHFFFAOYSA-N	319.453	1.950	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CCC[C@@H]2C(=O)O)C[C@H]1Br	872883640	QYPLHAXJSLSQGY-JXVAYASWSA-N	304.184	1.777	50	20	DDGD	
COC[C@@H](C)CNC(=O)NNC(=O)c1nc2ccccc2s1	872875930	KMVIVVMWZYOVBY-VIFPVBQESA-N	322.390	1.523	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCCn1ccc(C(F)(F)F)n1	871598037	DIXXSMIHSMNTBK-CMDGGOBGSA-N	302.256	1.462	50	20	DDGD	
COc1cccc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)c1	771879937	BKUDXJYKEZKTKF-LLVKDONJSA-N	322.361	1.434	50	20	DDGD	
CN(C)[C@@H]1CCCC[C@H]1NC(=O)NNc1ncncc1Cl	1116688029	HNDAROJHTJPASO-GHMZBOCLSA-N	312.805	1.629	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ccc3cccnn23)n1	773861590	DNKIIANJEJCCFG-UHFFFAOYSA-N	303.713	1.117	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc2ccsc2[nH]1	771921242	IMGLGKZFCVCPMK-SSDOTTSWSA-N	309.347	1.332	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccnc(SC)c1	770248856	UTIHOHPHGUVPEG-UHFFFAOYSA-N	316.477	1.275	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H](CO)CC2CC2)cc(C#N)n1C	770988470	SOYXVTDQFFVBGG-HVJNQHDOSA-N	312.373	1.389	50	20	DDGD	
NC(=O)[C@H]1Cc2ccccc2N(S(=O)(=O)CCCCl)C1	881856527	OYFGUBBIUQNZNQ-NSHDSACASA-N	316.810	1.109	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)O[C@H]2CCN(C)C2=O)c1	782443806	CEZSLYVMYFMMIX-UNJUUPHPSA-N	300.314	1.376	50	20	DDGD	
O=C1NCCN(S(=O)(=O)CCCCl)[C@@H]1c1ccccc1	881847091	ZPLXHEAKFXDWMG-GFCCVEGCSA-N	316.810	1.118	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cc(F)ccc2F)nn1	783953623	SPHNKFCTKZNXBS-UHFFFAOYSA-N	307.260	1.145	50	20	DDGD	
COc1ccc(NNC(=O)NCc2cccc3c2OCO3)nc1	780963066	WXSGQPLTOFOFGO-UHFFFAOYSA-N	316.317	1.645	50	20	DDGD	
Cc1nnc(-c2ccc(NC(=O)NNC(=O)C3CCC3)cc2)o1	782581216	IPSAWYHWOLETDU-UHFFFAOYSA-N	315.333	1.998	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1cc2nn[nH]c2cc1F	789848448	UMAAPJORCHAJTO-UHFFFAOYSA-N	323.291	1.797	50	20	DDGD	
C=C(C)COCCNC(=O)NNc1cccc(C(=O)OC)c1	780840222	AWNGCZWMTASMQH-UHFFFAOYSA-N	307.350	1.692	50	20	DDGD	
CC[C@@H]1C[C@H](C(=O)NNc2nc(-c3cccnc3)no2)CCO1	780474686	MOLFWHOXFZRPQC-ZYHUDNBSSA-N	317.349	1.780	50	20	DDGD	
CCNC(=O)c1cccc(NC(=O)NNC(=O)C2CCC2)c1	782543373	BDTMMKYKOFGVNK-UHFFFAOYSA-N	304.350	1.389	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2CC[C@H]3C[C@H](C)CN3C2)n1	1123584229	LYCXNMXEOKIGFS-GDLCADMTSA-N	303.410	1.657	50	20	DDGD	
CC1(C)OC[C@@H](CNC(=O)NNc2c(F)cccc2F)O1	783269981	YZXYSIOLNUOEAX-MRVPVSSYSA-N	301.293	1.742	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21	892752260	DJCVKVYMVCRAFH-ZTFGCOKTSA-N	322.364	1.755	50	20	DDGD	
C[C@@H]1C(=NNC(=O)Cc2cc(O)nc(S)n2)CCC[C@H]1C	781124086	UYQRGKSCJRNJKJ-BDAKNGLRSA-N	308.407	1.942	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)/C=C(/C)Cl)cc1OC	899957660	OGDAIKFFHCYABZ-CLFYSBASSA-N	312.753	1.998	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2cc(Cl)ccn2)n1	794352393	LGMYHFIMXNDSCS-UHFFFAOYSA-N	322.756	1.401	50	20	DDGD	
O=C(NCC(F)(F)F)NN=CCc1ccc([N+](=O)[O-])cc1	792987166	PNAMPJSZDXHZMQ-UHFFFAOYSA-N	304.228	1.985	50	20	DDGD	
CO[C@@H](C(=O)OC[C@H](C)CBr)c1cnn(C)c1	798772770	DUIOEYOAZNOSJA-PSASIEDQSA-N	305.172	1.682	50	20	DDGD	
Cc1ccn(CC(=O)NNc2cccc(F)c2[N+](=O)[O-])c(=O)c1	790594841	OSEZBWQMHXYSTI-UHFFFAOYSA-N	320.280	1.347	50	20	DDGD	
Cn1ccc(CCC(=O)NNc2cccc(F)c2[N+](=O)[O-])n1	794455513	BOYUZEZRWICVLV-UHFFFAOYSA-N	307.285	1.543	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCc2cc(Cl)ccc2C1	792309201	WFTACVQNNACVEV-UHFFFAOYSA-N	323.824	1.892	50	20	DDGD	
COc1cc(NNC(=O)c2cnc(C)nc2N)ccc1Cl	791028121	OZRXVEGUXQIWGI-UHFFFAOYSA-N	307.741	1.786	50	20	DDGD	
CCNC(=O)NN=C(C)Cn1cc(C(F)(F)F)ccc1=O	794499763	PLMYHUOERNRBQK-UHFFFAOYSA-N	304.272	1.562	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C[C@@H](CC#N)c1ccccc1	792853696	SSKVRWFJVDZECT-CQSZACIVSA-N	310.357	1.874	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C1CCC(NC(=O)C2CC2)CC1	793800023	PACXCHGFYKIOEC-UHFFFAOYSA-N	320.368	1.749	50	20	DDGD	
Cc1cncc(CCC(=O)NNC(=S)Nc2ccccn2)c1	794400504	WDTKNPVMCPECEY-UHFFFAOYSA-N	315.402	1.735	50	20	DDGD	
Cc1nn(-c2ccccc2)c(N)c1C=NNC(=O)c1cccnc1	794854408	FXLGIQWDRNMGOY-UHFFFAOYSA-N	320.356	1.922	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H](C)OC1CCCCC1	1318825415	CVZWIOSAFRHRSD-NSHDSACASA-N	301.387	1.091	50	20	DDGD	
O=C(CCl)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1	1319674727	RWVXILUMYAVHFV-AWEZNQCLSA-N	321.808	1.175	50	20	DDGD	
CC(C)c1ncncc1C(=O)NNc1ccc(-n2ccnc2)nn1	1326495208	VAMBLXJCJHDOSW-UHFFFAOYSA-N	324.348	1.333	50	20	DDGD	
CNc1nc(C)cc(C(=O)NNc2ccc(C(C)(C)C)nn2)n1	1323204616	XMGXLUDIXQFIBW-UHFFFAOYSA-N	315.381	1.671	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1	1331498853	OXBCSVRSSNRGMF-ZHPDPMBESA-N	306.362	1.516	50	20	DDGD	
O=C(NNc1ccc(F)cn1)c1ccoc1C1(O)CCOCC1	1333107996	LNWWVWLUBPNGSM-UHFFFAOYSA-N	321.308	1.569	50	20	DDGD	
CCC(CC)[C@@H](CCNC(=O)NNC(=O)c1cn[nH]c1)OC	1334930158	JGUWVNOVORXOFX-GFCCVEGCSA-N	311.386	1.195	50	20	DDGD	
CC(C)OCCCNC(=O)C1CCN(C(=O)CCl)CC1	1336910622	WUXROQGWAWJDBA-UHFFFAOYSA-N	304.818	1.395	50	20	DDGD	
CNC1(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)CCC1	1340700480	MHEDQHNYSASOPW-UHFFFAOYSA-N	321.768	1.975	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccn(CCC(F)(F)F)n1	1263708155	FYWYLKBFLXDDIO-UHFFFAOYSA-N	306.288	1.643	50	20	DDGD	
O=C(CN1CCC(CO)CC1)NNc1cc(F)cc(Cl)c1	1347190644	JWSBCORPSYDANN-UHFFFAOYSA-N	315.776	1.627	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cnn(C)c1-c1ccccc1	1341746648	YNFROVRTDWSPSP-UHFFFAOYSA-N	317.418	1.604	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H]1C[C@@H](C(=O)OC)C1	1358102080	ZAXUXKOIYUSPGD-AOOOYVTPSA-N	306.318	1.116	50	20	DDGD	
O=C(O)CCCC(=O)NNc1nnc(-c2ccccn2)s1	1601978941	OUPVGTRBMJGWEA-UHFFFAOYSA-N	307.335	1.298	50	20	DDGD	
CC[C@H](C(=O)O)C(=O)NNC(=O)c1cn(C)c2ccccc12	1609886722	SABZQDPNMCKVMF-VIFPVBQESA-N	303.318	1.050	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)O	1605618540	LSCICBDYYJHTIK-ASCRHOAZSA-N	322.292	1.218	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ccc(F)c(C(=O)O)c2)s1	1608243683	XRRNACHUISFCHU-UHFFFAOYSA-N	323.305	1.441	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(C(=O)O)c(F)c2)n1	1607325710	FBTDUGRQGNGWED-UHFFFAOYSA-N	305.265	1.684	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@H]1CCCC[C@H]1C(=O)O	1608479780	YZCJDKKQOQIEDI-WDEREUQCSA-N	313.423	1.173	50	20	DDGD	
O=C(O)c1cc2n(n1)CC/C(=C/c1cnn(CCCl)c1)C2=O	1602306180	LUMITMXGAUTSPR-YHYXMXQVSA-N	320.736	1.687	50	20	DDGD	
Cc1cc(OCC(=O)NNc2ccc(C(=O)O)c(F)c2)no1	1607700832	RHHWLDFQLWSXAL-UHFFFAOYSA-N	309.253	1.342	50	20	DDGD	
NC(=O)c1csc(C(=O)NNc2cccc(C(=O)O)c2)c1	1610641101	GRFFYWPXQMTYPN-UHFFFAOYSA-N	305.315	1.302	50	20	DDGD	
CCOC1CC(=NNC(=O)[C@@H]2CCCO[C@@H]2c2ccnn2C)C1	1549315312	MKBBVGKADUDYFI-RLSDIYDTSA-N	320.393	1.559	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@H]2CCC[C@H](C(=O)O)C2)c1	1610625892	HRKJIDCABWBZCW-UWVGGRQHSA-N	322.752	1.941	50	20	DDGD	
CCCC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1cccnc1	1549322452	ZJRUFWLGYZASLY-HOCLYGCPSA-N	316.405	1.565	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2cc3n(n2)CCC[C@H]3N)c1	1579705868	HNFVLYMKCKLNGY-LLVKDONJSA-N	303.341	1.881	50	20	DDGD	
CC(C)c1nnc(C(=O)NNc2ncccc2C(=O)O)s1	1573564543	HURSYMNHLOZCPB-UHFFFAOYSA-N	307.335	1.512	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H]1C[C@@H]1F)C2	1841669972	ABDHPIRDABXBGO-SRVKXCTJSA-N	316.804	1.955	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccc(-c2nn[nH]n2)cc1	1589184123	NIBUFHYYTIDXCM-UHFFFAOYSA-N	319.325	1.428	50	20	DDGD	
Cc1cccc(NNC(=O)c2cc(C(=O)O)nn2C)c1Cl	1594408239	GQEHIXKISOJAID-UHFFFAOYSA-N	308.725	1.837	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(C(=O)O)c(F)cc1F	1596662888	LZWVLAUFVGEINA-UHFFFAOYSA-N	303.221	1.446	50	20	DDGD	
O=C(O)Cn1cccc1C=NNC(=O)c1ccc([N+](=O)[O-])cc1	1595158909	ZBFHCNCQLVOUBV-UHFFFAOYSA-N	316.273	1.245	50	20	DDGD	
CC1(C)CC(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)C1	1590083062	OOOHHOKBLHRCEK-UHFFFAOYSA-N	301.354	1.681	50	20	DDGD	
COc1ccc(C(=O)NN=C2CC(CC(=O)O)C2)c(OC)c1	1599484910	ITOCOPCDAOBNAA-UHFFFAOYSA-N	306.318	1.674	50	20	DDGD	
CCCN1CC[C@H](NC(=O)NNc2cccc(C(=O)O)c2F)C1	1595906692	IVVSWODEUPGYQB-JTQLQIEISA-N	324.356	1.634	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Nc1ccnc(C(=O)O)c1	1594415417	BNYJFQDVJYGQDB-UHFFFAOYSA-N	314.301	1.555	50	20	DDGD	
COc1ccc(NNC(=O)[C@]2(C(=O)O)C[C@H]2C)c([N+](=O)[O-])c1	1594105926	QUJCVKYNIAERFR-UHLUBPPHSA-N	309.278	1.157	50	20	DDGD	
O=C(CCCc1cccnc1)NNc1ccc(-c2nn[nH]n2)cn1	1592839222	NDGAFVVBIHSQFV-UHFFFAOYSA-N	324.348	1.123	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(C(=O)O)c1F)c1cnn(C)c1	1593102437	RVKPKUSTQAPRTQ-QMMMGPOBSA-N	321.312	1.645	50	20	DDGD	
COc1ccc([C@@H](C)C(C)=NNC(=O)NCC(=O)O)cc1OC	1599506646	KCSNDKUYAKUGNE-VIFPVBQESA-N	323.349	1.567	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)c1cccc(C(=O)O)c1	1776095859	YXKUMLHVHFHEAU-UHFFFAOYSA-N	301.306	1.069	50	20	DDGD	
CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](F)Cl)C3)CC1	1795393090	FGUTWFQUQKQDHL-VLEAKVRGSA-N	302.777	1.959	50	20	DDGD	
CCOC(=O)C[C@@H](C)NC(=O)c1c(C)nn(CCCl)c1C	160831133	UKDUCEQOYDTMQK-SECBINFHSA-N	315.801	1.810	50	20	DDGD	
N#Cc1ccc(NNC(=O)CCOc2cccc(C(N)=O)c2)cc1	155502420	IRRYNVKHIRVJFP-UHFFFAOYSA-N	324.340	1.569	50	20	DDGD	
O=C(CCN1CCCC1=O)NNc1cccc(C(F)(F)F)n1	155989789	HWOUNUFBIQQHLQ-UHFFFAOYSA-N	316.283	1.556	50	20	DDGD	
N#CCN1CCC(CNS(=O)(=O)CCCCCl)CC1	154694496	NPXZBTXQQFVFSM-UHFFFAOYSA-N	307.847	1.160	50	20	DDGD	
O=S(=O)(c1ccc(CCl)cc1)N(CCO)CC1CC1	688309816	CTFDFZGQCZFBEK-UHFFFAOYSA-N	303.811	1.818	50	20	DDGD	
Cc1cnn(C)c1C(=O)N(C)NC(=O)OCc1ccccc1	862289860	YXAQETWZUUCJRQ-UHFFFAOYSA-N	302.334	1.642	50	20	DDGD	
O=C(COC(=O)C1CCCCC1)NNC(=O)c1cccs1	6226241	YZJAZOWEHZQUTI-UHFFFAOYSA-N	310.375	1.633	50	20	DDGD	
C[C@@H](Oc1cccnc1)C(=O)NNC(=O)c1ccc(C#N)cc1	117773219	YFVNHLSZPPYEAW-LLVKDONJSA-N	310.313	1.182	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NNC(=S)N[C@H](C)C1CC1	175540878	AMERRFKBXKHWIW-SECBINFHSA-N	322.390	1.811	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1cc(F)cc2nccnc12	114897789	DKQANNYXULOSCC-UHFFFAOYSA-N	318.699	1.969	50	20	DDGD	
Cc1cc(C(=O)NNc2ncnc3nc[nH]c23)nc2ccccc12	173962523	QJCNBYGHBSKRQH-UHFFFAOYSA-N	319.328	1.966	50	20	DDGD	
N#CC1(C(=O)NNc2nc(-c3ccccc3)no2)CCOCC1	110854572	FMPWNQMCAUUSIK-UHFFFAOYSA-N	313.317	1.500	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)c1cccn1C	61224685	LDAXFBIJBXCZHP-UHFFFAOYSA-N	318.289	1.017	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Nc1nc(C)c(C)o1	65820568	QZDXPPSOHRYKCG-UHFFFAOYSA-N	318.333	1.695	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSc1nnc2ccccn12	172902512	AEEHBQKYKBCYGD-UHFFFAOYSA-N	307.379	1.015	50	20	DDGD	
CN(C)C(=O)NNC(=O)Cc1coc(-c2ccc(Cl)cc2)n1	171479417	WJRKPFOMTAEQND-UHFFFAOYSA-N	322.752	1.840	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCOC[C@H]1CC(C)C	113941600	HFWFCNBDEZHFLR-UONOGXRCSA-N	313.442	1.315	50	20	DDGD	
CCC(=O)N1CCC(=NNC(=O)Cc2csc(C)n2)CC1	64306300	HXRYEINWZYFVKW-UHFFFAOYSA-N	308.407	1.499	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccccc1)Cc1ccccc1O	111235949	REIKSXGRIUJGOF-UHFFFAOYSA-N	313.357	1.285	50	20	DDGD	
CC(C)C[C@@H]1COCCN1CC(=O)NNC(=O)c1ccccc1	182302649	CYPXXRLSYCHMIX-OAHLLOKOSA-N	319.405	1.195	50	20	DDGD	
CCc1c(C(=O)NNc2ncc(F)cn2)cnn1CC(C)C	123052153	HYRQGQHIBKZWTM-UHFFFAOYSA-N	306.345	1.788	50	20	DDGD	
COc1ccc(NNC(=O)Nc2ccn(CCC#N)n2)nc1	122062517	WIWGAOYIBDCVIB-UHFFFAOYSA-N	301.310	1.349	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)COc2cc(C)ccc2C)[nH]n1	122427508	AMJGEGCMXVKFAS-UHFFFAOYSA-N	316.361	1.429	50	20	DDGD	
CC(C)C[C@H]1CCN(CC(=O)NNC(=O)c2ccccc2)C1	72492649	PTPBRYNIUNKRAB-CQSZACIVSA-N	303.406	1.816	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)Nc2cc(C)on2)c1	73117793	TXIKKJSFVRRILX-UHFFFAOYSA-N	318.333	1.832	50	20	DDGD	
COCCC(C)(C)C(=O)NNc1cccc(S(C)(=O)=O)c1	184311913	AOMDPZPDWXWFCV-UHFFFAOYSA-N	314.407	1.596	50	20	DDGD	
CN(C)Cc1ccc(C(=O)NNC(=O)c2cccn2C)cc1	73067792	KSKKQSOFWVCWFE-UHFFFAOYSA-N	300.362	1.162	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cnn([C@H](C)C3CC3)c2)[nH]n1	189781444	CLTKWYIVBKMJGO-SECBINFHSA-N	317.353	1.352	50	20	DDGD	
Cc1cccc(F)c1NC(=O)NNC(=O)Cc1cccnc1	133567211	XMQZJYNOCMRMRC-UHFFFAOYSA-N	302.309	1.925	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccc(F)cn2)cc1	182645872	AVCPEOOQXIDQBF-UHFFFAOYSA-N	302.309	1.402	50	20	DDGD	
C=CCCC[C@H](C)NC(=O)NNC(=O)CNC(=O)c1ccco1	180666193	MMWBTEQUKAPXKL-NSHDSACASA-N	322.365	1.085	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc(F)c(F)c1F	48654783	WXVWSNFVFHWLIQ-LURJTMIESA-N	310.297	1.460	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2CCn3cncc3C2)cc1	135915926	ZDMYFFDNGNMVEN-CQSZACIVSA-N	312.373	1.469	50	20	DDGD	
O=C(CCc1ccncc1)NNC(=O)c1cccc([N+](=O)[O-])c1	131643245	SCVDEFDOIBAVAP-UHFFFAOYSA-N	314.301	1.384	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)CSCC#N)c1	42016753	FYVJGIIKYRUVJZ-UHFFFAOYSA-N	307.375	1.086	50	20	DDGD	
O=C(CSc1ccncc1)NNc1nc2ccccn2n1	191913188	ARAKWVMXTWALIU-UHFFFAOYSA-N	300.347	1.360	50	20	DDGD	
CCNC(=O)NNC(=O)CCc1nnc(-c2ccccc2)o1	139244030	LFQPZNKNAVMWQW-UHFFFAOYSA-N	303.322	1.020	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCOC2(CCCC2)C1	139697433	ALLFHRYJZHNIME-CYBMUJFWSA-N	311.426	1.213	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1ccccc1)CN1CCCC1	80049147	WTXOAWHXWZXFOY-ZDUSSCGKSA-N	304.394	1.363	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(C)c(C(=O)N(C)C(C)C)c1	193763765	SMBKDPDIAWEIQO-UHFFFAOYSA-N	306.366	1.648	50	20	DDGD	
N#CCOc1ccccc1C(=O)NNc1nc2ccccn2n1	191897857	KDCYBCAKNMJEKV-UHFFFAOYSA-N	308.301	1.389	50	20	DDGD	
C=CCNC(=S)NNC(=O)C[C@H](C)c1cccc(OC)c1	84716320	NYRVCLYYHFEADX-NSHDSACASA-N	307.419	1.870	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccccc2)c1[N+](=O)[O-]	193774192	DZMBGESUHGOPBL-UHFFFAOYSA-N	315.285	1.678	50	20	DDGD	
Cc1ccc(C(=O)NN/C=C2/C(=O)NC(=O)c3ccccc32)o1	83975295	ANENWRAIENAHRF-XYOKQWHBSA-N	311.297	1.134	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)C[C@H]1CCCOC1	193125671	WXKXSXWKJVOMHL-OAHLLOKOSA-N	304.390	1.973	50	20	DDGD	
CO[C@@H](C)C(=O)NNC(=O)c1cc(-c2ccc(C)cc2)n[nH]1	193587593	OVARGJNQABDODH-JTQLQIEISA-N	302.334	1.181	50	20	DDGD	
Cc1cccnc1NC(=O)NNC(=O)COc1ccc(F)cc1	145404075	RJFUUMLVFIOEKQ-UHFFFAOYSA-N	318.308	1.761	50	20	DDGD	
COc1cc(C=NNC(=O)C2CC2)cc(OC)c1OC(C)=O	245283987	POBIZUCYWQCUEW-UHFFFAOYSA-N	306.318	1.489	50	20	DDGD	
CC(C)(C)c1nc(C(=O)NNC(=O)Cc2cccnc2)cs1	264033225	NJXKQBZGAZCXNR-UHFFFAOYSA-N	318.402	1.839	50	20	DDGD	
CC(C)c1[nH]nc(C(=O)NNC(=O)CC(C)(C)C)c1[N+](=O)[O-]	269613783	RPNNERJLDHZRRL-UHFFFAOYSA-N	311.342	1.639	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=S)Nc2ccc(OC)nc2)O1	268292219	YVQVGPHLMZWTOF-WDEREUQCSA-N	324.406	1.365	50	20	DDGD	
CC[C@@H]1CN(C(=O)NNC(=O)c2ccccc2OC)CCS1	266812599	VWVRTAWIPANOKH-LLVKDONJSA-N	323.418	1.877	50	20	DDGD	
CC(C)CC1(C(=O)NNc2nc(O)c3cnn(C)c3n2)CCC1	269299904	JCWZBVKSSPWYQE-UHFFFAOYSA-N	318.381	1.728	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCOC2CCCCC2)n1	266976844	QVBXPTCLUNNQRN-UHFFFAOYSA-N	323.397	1.769	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)CCOC)cc1OC	263910940	MLEQSBIZBFUJSK-UHFFFAOYSA-N	310.350	1.282	50	20	DDGD	
O=C(CC[C@@H]1CCOC1)NNc1nc(-c2cccnc2)no1	267611703	SAAVBSUBESXXAU-SNVBAGLBSA-N	303.322	1.391	50	20	DDGD	
CCC1(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)CC1	267184423	AADGHAJVWLNKFT-UHFFFAOYSA-N	323.418	1.761	50	20	DDGD	
CN(NC(=O)c1ccnc(-c2ccc(Cl)cc2)n1)C(N)=O	367917445	SJRKLMRGMNKFCV-UHFFFAOYSA-N	305.725	1.452	50	20	DDGD	
CCn1ccnc1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	279142440	DHLZWJMJSJMNPU-UHFFFAOYSA-N	316.405	1.880	50	20	DDGD	
CN(C)c1noc(CCC(=O)NNc2ccccc2Cl)n1	275616208	LCTIWMKECMOLAR-UHFFFAOYSA-N	309.757	1.865	50	20	DDGD	
C=C[C@H](CC(=O)NNC(=O)N1CCN(C)CC1)c1ccccc1	282953410	QRAFTSSAXQAHAB-CQSZACIVSA-N	316.405	1.335	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@](C)(O)C2CC2)o1	286095512	UDQPESKKZAXKMR-MRXNPFEDSA-N	323.393	1.043	50	20	DDGD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NNc1cccc(S(C)(=O)=O)c1	280115371	BBAHBJUUEQQIHY-MNOVXSKESA-N	324.402	1.539	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Nc1nc(C)cs1	284672536	HTQVOZOLVBIPAJ-UHFFFAOYSA-N	316.383	1.393	50	20	DDGD	
Cn1ncc2c1C[C@@H](C(=O)NNC(=O)Nc1ccccc1)CC2	282650837	ARUFLZXEIHAJCD-NSHDSACASA-N	313.361	1.378	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1	282366297	GANMLGCXENDHEC-ICDLMJIXSA-N	322.361	1.378	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1F	294173009	JABVMSMXAHWXOZ-GWCFXTLKSA-N	324.352	1.482	50	20	DDGD	
COc1c(NC(=O)NNc2cccc(F)n2)cccc1C(N)=O	806403819	QFJPZNXXHQJQIS-UHFFFAOYSA-N	319.296	1.477	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc(C)cc(C)n1	807371674	NKUHLIPXZOUJDB-UHFFFAOYSA-N	309.366	1.249	50	20	DDGD	
O=C(Cc1csc(-c2cccnc2)n1)NNC(=O)CC1CC1	294291951	WIHJGCJLCHKLGC-UHFFFAOYSA-N	316.386	1.695	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)c2ccc(O)cc2)c(O)c1	806527816	QBGXUIOUXJMDCQ-UHFFFAOYSA-N	314.297	1.050	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H](C)NC2CC2)c1C	294704713	GYUDDUFJTTYFLT-CHWSQXEVSA-N	319.405	1.359	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2nccnc2C2CCC2)CCC1	805468488	HNPBXHHPPSGIOW-UHFFFAOYSA-N	303.366	1.104	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc(Cl)n1)c1nnc2n1CCC2	292514937	DJYXCJRFJJDXFE-MRVPVSSYSA-N	321.772	1.660	50	20	DDGD	
CN(NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccccc1	299234697	MNFROLRVAWPROI-ZIAGYGMSSA-N	315.373	1.329	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CC(C)C)c([N+](=O)[O-])cc1F	294252071	CHZCNZUTQTYGPG-UHFFFAOYSA-N	313.285	1.550	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)COc1ccccc1F)C1CC1	290929692	IWONPVACBUGKPW-HNNXBMFYSA-N	310.325	1.167	50	20	DDGD	
Cn1nncc1NC(=O)NNc1ccccc1C(F)(F)F	809903045	XHZLFHZNVKWMOG-UHFFFAOYSA-N	300.244	1.983	50	20	DDGD	
CCOc1ncc(C)cc1NC(=O)NNc1nccc(OC)n1	297535967	XFXOJOMOAKTSQV-UHFFFAOYSA-N	318.337	1.736	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)COCc2ncc(C)o2)c1	803084403	YINCUDOPFOBWCD-UHFFFAOYSA-N	319.317	1.430	50	20	DDGD	
C[C@@H](Cc1ccccc1F)C(=O)NNC(=O)[C@@H]1CCCCO1	295300241	DZSAPQDYXKHUQV-FZMZJTMJSA-N	308.353	1.721	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1cccc2c1OCC(=O)N2	290217985	QNZZMSDZKDUCFH-UHFFFAOYSA-N	306.322	1.216	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)Nc2ccc(OC)cc2)cn1	802056258	GYJRXNQRVWGSNS-UHFFFAOYSA-N	317.349	1.768	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cc(O)cc(C#N)c2)cc1	809641946	YWRXAPOLQVUQQY-UHFFFAOYSA-N	306.281	1.210	50	20	DDGD	
CCOC(=O)Oc1ccc(C(=O)NNC(=O)NC(C)C)cc1	800328668	QZNWSJFOSIMPJR-UHFFFAOYSA-N	309.322	1.574	50	20	DDGD	
CCOCC(=O)NNC(=O)N=c1cc(C)[nH]c2ccccc12	809887025	RATINTCBQKCPBD-UHFFFAOYSA-N	302.334	1.154	50	20	DDGD	
COc1cc(C(=O)NNc2nnc[nH]2)ccc1OCC(C)C	293780920	BUTLOTUBZVHSNO-UHFFFAOYSA-N	305.338	1.605	50	20	DDGD	
COc1ccc(C=NNC(=O)CC2CC2)c(OCC(=O)O)c1	814989321	JBJBMFIAXVFFEH-UHFFFAOYSA-N	306.318	1.409	50	20	DDGD	
COCC(=O)NN=C(C)c1ccc(-n2c(C)cnc2O)cc1	814872812	ZDRQCQKIPHNFGJ-UHFFFAOYSA-N	302.334	1.373	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc(Br)c(O)c1	819135768	DGIVXHXMAZIGBU-UHFFFAOYSA-N	313.151	1.716	50	20	DDGD	
Cn1cnc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)n1	810687117	REESETLBGSRMHL-UHFFFAOYSA-N	315.255	1.513	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2cnn(C)n2)c(C)n1-c1ccccc1	814703711	FWRCGXPFGYSLQW-UHFFFAOYSA-N	322.372	1.987	50	20	DDGD	
O=C(NN=Cc1cc(CO)ccc1O)c1ccc2c(c1)OCO2	814699827	KEPIAQQQIPFGJO-UHFFFAOYSA-N	314.297	1.377	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cccc([N+](=O)[O-])c2)[nH]1	815850708	YWVFTPMVGPDVMN-UHFFFAOYSA-N	304.262	1.466	50	20	DDGD	
COCC(=NNC(=O)CN(C)C)c1cccc(Cl)c1F	814832428	FEBXIMNEUGXHIO-UHFFFAOYSA-N	301.749	1.507	50	20	DDGD	
Cc1ccc([C@H](C)[C@H](O)C(=O)NNc2ncncc2F)cc1	817068085	WLBNCXPUTDAPDL-GWCFXTLKSA-N	304.325	1.532	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)Cc1ccc(Cl)cc1)C1CC1	812452444	TXLUULIIPCQLPQ-OAHLLOKOSA-N	310.781	1.845	50	20	DDGD	
COCCC(COC)=NNC(=O)COc1cc(C)cc(C)c1	812222467	OSBPRBYOXLOKPW-UHFFFAOYSA-N	308.378	1.837	50	20	DDGD	
O=C(CCN1CCOCC1)NNc1ccc(F)c(F)c1F	728716082	QQPGBHVCKQGJMT-UHFFFAOYSA-N	303.284	1.269	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1cc2ccccc2[nH]1	826017118	VPPMWTWZEXMYMU-MFKMUULPSA-N	316.361	1.423	50	20	DDGD	
O=C(Cc1ccc2c(c1)OCO2)NNC(=S)NCC1CCC1	727865074	HIHWJDXEJJBGEH-UHFFFAOYSA-N	321.402	1.253	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccc(C#N)cc1	825732942	ICBXOPOTHMYIMM-COPLHBTASA-N	316.361	1.375	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)C2CCCC2)cc1Br	824922266	ZGMCHDKOQIYPNS-UHFFFAOYSA-N	315.171	1.134	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@H](C2CCCC2)C1	827261043	ZOUXVKUZYWSHOA-UBHSHLNASA-N	309.410	1.664	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)C(C)C	494001691	GGMDVDDPSQNCDC-QWRGUYRKSA-N	315.414	1.729	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@@H]1CCN(C(C)(C)C)C1=O	496045449	CTYLCYIJUKXDRG-SECBINFHSA-N	314.386	1.125	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)N[C@H]1C=CCC1	821091770	FUGMCLUPNVHBPW-QWRGUYRKSA-N	307.325	1.642	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1Br)[C@H]1C[C@@H](O)C1	820290300	YVHVXMLBRMTLDX-IAQIWYKVSA-N	321.121	1.941	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)/C=C/C2CCOCC2)c1	492406131	GDAXVPQVLDXRAU-AATRIKPKSA-N	304.346	1.899	50	20	DDGD	
COCCOCCOC(=O)/C(C#N)=C/c1cccc(OC)c1	729095713	UUERJHIJWMOQPL-GXDHUFHOSA-N	305.330	1.808	50	20	DDGD	
CCn1nc(C)c(CNC(=O)NNC(=O)CC(C)(C)C)c1C	728754696	CGHMTAXLQLPWHO-UHFFFAOYSA-N	309.414	1.786	50	20	DDGD	
COC(=O)N(C)NC(=O)c1csc(-c2ccc(C)n2C)n1	496174556	XAJQOVODMRXSLP-UHFFFAOYSA-N	308.363	1.800	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1ccc(-c2nn[nH]n2)s1	821690916	BCKJPIPXIUIATH-SOFGYWHQSA-N	305.319	1.025	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1cc2cc(F)ccc2o1	829775612	UXKXXGSITBQGPX-UHFFFAOYSA-N	315.326	1.474	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1CCc2ccccc21	825596102	ZIQUAVVWPJZBTP-ZKYQVNSYSA-N	303.362	1.429	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc2c(C(F)F)nn(C)c2s1	821216920	BAAWFYCLXHWGSE-LURJTMIESA-N	318.349	1.530	50	20	DDGD	
CC(C)NC(=O)[C@H](C)NC(=O)/C(C#N)=C/c1ccc(O)cc1	491133178	OQPPWVZSTRXGAI-ZWSXMNCCSA-N	301.346	1.328	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1c[nH]c(-c2nn[nH]n2)c1	826446166	BZXGBTTWYKVBMB-UHFFFAOYSA-N	323.238	1.369	50	20	DDGD	
CC(C)NC(=O)NNS(=O)(=O)c1cc2cc(F)ccc2o1	829787780	YWBRHZMVMFPQQN-UHFFFAOYSA-N	315.326	1.473	50	20	DDGD	
CCc1nc(C(C)C)ccc1C(=O)Nc1cccc(B(O)O)c1	584912117	PFPVTYUTQBSRNN-UHFFFAOYSA-N	312.178	1.700	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1ccccc1-c1ccno1	495123552	OBJVHKJNNZGXKF-UHFFFAOYSA-N	311.319	1.281	50	20	DDGD	
C/C=C/C=C\C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	825029355	QKCTYVJPNMIEBH-IAROGAJJSA-N	305.729	1.491	50	20	DDGD	
C[C@@H]1CCC[C@H](N2CCC(=NNC(=O)C(=O)NC3CC3)CC2)C1	733744825	SJHPJPKZTNYIGZ-DOMZBBRYSA-N	320.437	1.412	50	20	DDGD	
CCCN1CCC[C@@H](C(=O)NNC(=O)CCc2ccccc2)C1	906484058	RZNRJWHNUCAAHH-MRXNPFEDSA-N	317.433	1.889	50	20	DDGD	
COc1ccc(CC(C)=NNC(=O)c2cnn(C)c2)cc1OC	735410858	AHIHAVLKBOAISO-UHFFFAOYSA-N	316.361	1.786	50	20	DDGD	
Cc1cccc2c1NC(=O)C2=NNC(=O)COCc1ccccc1	737436796	IJNWYJILUACLNH-UHFFFAOYSA-N	323.352	1.984	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1ccc(C[S@](C)=O)cc1	490937982	DQLMZOQMUCSTNF-OQHXPNFOSA-N	306.387	1.625	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNC(=O)c2cccn2C)cc1	908414342	OPJJQCUSZLRQFO-UHFFFAOYSA-N	301.346	1.887	50	20	DDGD	
COc1cc(C)c(S(=O)(=O)NNC(=O)C2CCC2)c(C)c1	732047996	OXYSRWCYJYZKDH-UHFFFAOYSA-N	312.391	1.422	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cccc2cccnc12	831099429	GVADYFRBMURIHP-CMPLNLGQSA-N	314.345	1.813	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1C(=O)Nc2cc(O)c(F)cc21	834931485	JCLAXFIIIOKLFA-UHFFFAOYSA-N	322.340	1.036	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)c2ccc(F)cc21)C1CCC1	731934126	UDDQLFIDSVGZJZ-UHFFFAOYSA-N	310.350	1.624	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccc3c(c2)CCCO3)n1	901150148	VHLZMFUACYUKSK-UHFFFAOYSA-N	312.373	1.975	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2ccc(CO)o2)cc1OC	739400317	PJFQFUOYUPIPMO-UHFFFAOYSA-N	304.302	1.553	50	20	DDGD	
CCNC(=O)N(C)N=C[C@@H](C)c1ccc(S(C)(=O)=O)cc1	834967771	SLCZBTSIUHOGGN-LLVKDONJSA-N	311.407	1.841	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNC(=O)COCc1ccccc1	838775809	LLXQMUHGGCIAFE-KGLIPLIRSA-N	321.377	1.101	50	20	DDGD	
C[C@@H]1CC=C(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CC1	836266273	SFFRBRCLIDYING-LLVKDONJSA-N	316.357	1.965	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1cc2ccccc2o1)N(C)C	836340226	KPZMEQCRMUKWLA-JTQLQIEISA-N	304.350	1.327	50	20	DDGD	
C[C@H]1CC(=NNC(=O)[C@@H]2COc3ccccc3O2)c2nccn21	834917881	LTCWMWMYEBXNOM-HZMBPMFUSA-N	312.329	1.508	50	20	DDGD	
COCCOC[C@H](C)NC(=O)NNc1ncc(F)cc1F	838493433	YDINMNKVBDLUGF-QMMMGPOBSA-N	304.297	1.037	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1scnc1C1CC1	836483197	POGNDNBNAIFNIP-VIFPVBQESA-N	310.379	1.742	50	20	DDGD	
CC(C)c1ncsc1NC(=O)NNC(=O)[C@H]1CCCCO1	836745064	LGAZYWCIBSWNQA-SECBINFHSA-N	312.395	1.988	50	20	DDGD	
CC(C)COc1ccc(C=NNC(=O)CN2CCCC2=O)cc1	730145178	QRQPYRXWAZVWBS-UHFFFAOYSA-N	317.389	1.794	50	20	DDGD	
Cc1c(Br)cccc1C(=O)NN(C)C[C@@H](C)O	910161819	BGPNSBCPESJSDN-MRVPVSSYSA-N	301.184	1.715	50	20	DDGD	
C[C@@H]1C[C@@H]1c1ccc(CNC(=O)NNC(=O)c2ccc[nH]2)o1	918078000	LNKIXKADIHHELN-KOLCDFICSA-N	302.334	1.875	50	20	DDGD	
COCCc1ccccc1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	831710877	ACGUOZBNRSZFJD-WCQYABFASA-N	321.377	1.453	50	20	DDGD	
C[C@@]1(N)CCCC[C@@H]1C(=O)NNc1nc(-c2cccnc2)no1	831890358	GRBCXTQGXWSWMA-IAQYHMDHSA-N	316.365	1.482	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCOc1ccc(Cl)c(F)c1	831854181	QFLJVPCDNQVLDP-UHFFFAOYSA-N	317.748	1.941	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=C1CCCOc2cc(F)cc(F)c21	834982643	HQAPLCOOLKLZTO-UHFFFAOYSA-N	320.299	1.924	50	20	DDGD	
Cc1ccc2ncccc2c1S(=O)(=O)NNC(=O)C(C)C	748639470	FMBNGJCZDTUXQF-UHFFFAOYSA-N	307.375	1.509	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CSc1ccc(O)cc1	843979503	OQYKZDXFVHWEJF-BXKDBHETSA-N	310.375	1.057	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(CC)(CC)C(=O)OC(C)(C)C	845925131	FHJDUAUNJUIKOY-UHFFFAOYSA-N	315.414	1.827	50	20	DDGD	
CC(C)(C(=O)NNC(=S)NCC1CCC1)N1CCCCC1	912106071	IAQVDCSRIJPTLU-UHFFFAOYSA-N	312.483	1.546	50	20	DDGD	
O=C(/C=C\Sc1ccccc1)NNC(=O)CN1CCCC1=O	913730459	WCQWFXOFLQQPMM-NTMALXAHSA-N	319.386	1.062	50	20	DDGD	
CC(=NNC(=O)c1nn(-c2ccccc2)cc1O)[C@H]1CCOC1	741757452	RIOPCHISDDWFJK-LBPRGKRZSA-N	314.345	1.720	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1c2cccc(F)c2CC[C@@H]1C	748251191	TYTRJZXQACYSAX-JTQLQIEISA-N	305.353	1.753	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NCCC1=CCNCC1	841990198	ZLJNRVGKOXCUMG-UHFFFAOYSA-N	316.405	1.178	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@](C)(O)C2CCC2)cc1	846375580	GGUCGKCMJYCOAJ-MRXNPFEDSA-N	306.362	1.396	50	20	DDGD	
Cc1nc(CC(C)C)c(C(=O)NNC(=O)c2ncccn2)s1	841350611	OGHQZEZQCCXQDT-UHFFFAOYSA-N	319.390	1.515	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)[C@H]2CCO[C@@H]2C)[nH]c1C	842562835	ZKEIMGGJBZNOHH-PWSUYJOCSA-N	307.350	1.375	50	20	DDGD	
Cc1nc(N2CCOCC2)sc1C(=O)NN=C1CCO[C@@H]1C	747740163	BELMFSUJMONRAX-SNVBAGLBSA-N	324.406	1.183	50	20	DDGD	
O=S(=O)(CCCCCl)N(CCOCCO)C1CCC1	849406993	QZIYLOMWIJZRSY-UHFFFAOYSA-N	313.847	1.199	50	20	DDGD	
Cc1ncsc1C=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1	743429665	WKGNKIWTNKXZCV-WOPDTQHZSA-N	324.450	1.647	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1F	843644633	PIOZDRQQYMUGBM-JQWIXIFHSA-N	324.352	1.339	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNC(=O)NCCc1cccs1	841384607	AXVMPJJEMCRXMH-GFCCVEGCSA-N	313.423	1.682	50	20	DDGD	
Cc1cccc2c1sc(=O)n2CC(=O)NNC(=O)C(C)C	842588943	BWCPKGKSZLZYKI-UHFFFAOYSA-N	307.375	1.175	50	20	DDGD	
CN1CCC[C@H](CCNC(=O)NNc2ncncc2Cl)C1	841589679	LEAZXKKNFOEEGF-SNVBAGLBSA-N	312.805	1.488	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)N[C@H]1CCC[C@@H]2C[C@H]12	841589535	JJCAXIRBBQDPEX-WOPDTQHZSA-N	313.365	1.477	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCN(C)C1CCCCC1	843972195	TXPFGWCRRLWRFC-JSGCOSHPSA-N	311.426	1.213	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccc2c(c1)CCOC2	847114452	ACZBIZPUCVRGPP-UHFFFAOYSA-N	317.267	1.266	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H]1CC12CCCC2	747349248	BYIMCLBJUDEUSX-GFCCVEGCSA-N	312.373	1.984	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(F)c(F)cc1Br	749909533	SVPZCEGHWMJQDN-UHFFFAOYSA-N	308.082	1.301	50	20	DDGD	
O=C(NNC(=O)c1cccc2cccnc12)NC1CCOCC1	747460437	PVXVYHLWWPUYRL-UHFFFAOYSA-N	314.345	1.358	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNc1ncc(F)cc1F)C(=O)O	848590078	ANMGKCFBBIEFEP-QMMMGPOBSA-N	302.281	1.343	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)C(=O)NC(C)C)C12CCCCC2	741462644	STBIKPCFXIAGIK-CYBMUJFWSA-N	309.410	1.743	50	20	DDGD	
CC(C)CN1C[C@H](C(=O)NNc2ccc(Cl)nc2)CC1=O	743818641	HBFBAWZPKYDNIL-SNVBAGLBSA-N	310.785	1.683	50	20	DDGD	
CN(C)C(=O)NNC(=O)CCOc1ccc(F)c(Cl)c1	746001630	QLBNFJSAIAORCN-UHFFFAOYSA-N	303.721	1.550	50	20	DDGD	
CCCOc1cccc(CC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	843663914	ZKYYXSHUXJSCAP-WFASDCNBSA-N	320.389	1.590	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN[C@@H](C(=O)NC1CC1)c1ccccc1	843288743	GFXYSAFUAAUAGJ-TUKIKUTGSA-N	317.389	1.052	50	20	DDGD	
COCCn1cc(C(=O)NNc2cccc(F)c2)ccc1=O	748101111	LITAYZUBJGYJQP-UHFFFAOYSA-N	305.309	1.391	50	20	DDGD	
CCn1c(NNC(=O)/C=C(\C)COC)nc2ccccc2c1=O	845148391	WCPQWDHJLKWQOH-PKNBQFBNSA-N	316.361	1.452	50	20	DDGD	
O=C(O)CCOc1cccc(C=NNC(=O)c2ccc[nH]2)c1	746683494	XEPXGLMTYFDXAN-UHFFFAOYSA-N	301.302	1.632	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1csc(-c2ccc(O)cc2)n1	746185133	POMZVVQXHNETCK-UHFFFAOYSA-N	306.347	1.432	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2cc3ccccc3o2)cnn1C	749471759	DBYPZLDQJBQLNZ-UHFFFAOYSA-N	312.329	1.804	50	20	DDGD	
CC[C@@H](C#N)C(=O)NNC(=O)c1ccc(CN(CC)CC)o1	845284735	DOQMGDWNWBJTTM-NSHDSACASA-N	306.366	1.432	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCc1cccc2c1OCC2	927537696	YABIFFXXXYGURM-UHFFFAOYSA-N	317.267	1.404	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)C	843752289	OFSMQEFAERZYFQ-JTQLQIEISA-N	315.439	1.282	50	20	DDGD	
O=C(NCCCc1nc[nH]n1)NNc1ccc(F)cc1Cl	923129999	XNGICCLKMUNSHC-UHFFFAOYSA-N	312.736	1.856	50	20	DDGD	
CC(C)CC(C)(C)C(=O)NNc1ccccc1S(N)(=O)=O	842260754	DGUCAMQLDVOLIL-UHFFFAOYSA-N	313.423	1.849	50	20	DDGD	
CCn1ncnc1C=NNC(=O)[C@@H](C)Oc1cccc(C)c1C	848403635	ZHRYAPORKDDSBD-CYBMUJFWSA-N	315.377	1.832	50	20	DDGD	
COc1cc(Cl)c(F)c(C(=O)NNC(=O)NC(C)C)c1	840294915	RUAHHRTXHFIAJI-UHFFFAOYSA-N	303.721	1.840	50	20	DDGD	
Cc1ccc(-c2nc(C=NNC(=O)C(=O)NC(C)C)co2)cc1	755609778	DTVTVWPCJMKIMS-UHFFFAOYSA-N	314.345	1.625	50	20	DDGD	
O=C(NNC(=O)c1cccn1Cc1ccncc1)c1ccc[nH]1	751296708	XNLWKAMOPITBSN-UHFFFAOYSA-N	309.329	1.334	50	20	DDGD	
CC[C@@H]1COCCN1C(=O)NC[C@]1(C)C[C@H]1Br	856956946	XGTJCSMZXMZLOO-FOGDFJRCSA-N	305.216	1.980	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(OC(F)(F)F)cc1	854929416	GPYXCHYCKCXOJK-UHFFFAOYSA-N	307.297	1.666	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(O)nc(C3CC3)n2)nc(C)n1	857130596	LHGAJGVNULFVMN-UHFFFAOYSA-N	300.322	1.223	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1Cl	928341625	DTLUHOWDLDXSKD-VIFPVBQESA-N	302.783	1.526	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN[C@@H]2CCCC2(C)C)c1	755055260	KJALXONIQJLPMA-CQSZACIVSA-N	303.406	1.924	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(OCC(F)(F)F)cc1	854925222	ADLZWIXGQMUTTK-UHFFFAOYSA-N	321.324	1.709	50	20	DDGD	
C[C@@H]1CCN(C(=O)NC[C@]2(C)C[C@@H]2Br)C[C@H]1CO	856958642	JIZNBJYWGQKSNL-BLFANLJRSA-N	319.243	1.820	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cccc(NC(=O)NN(C)C)c1	753074899	KRXFXALOLNBCEN-NWDGAFQWSA-N	320.349	1.032	50	20	DDGD	
CN1C(=O)CC[C@H]1C(=O)OC[C@@H](CBr)C1CC1	859634175	RJLZNOQPXNUNBS-ZJUUUORDSA-N	304.184	1.572	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cccc2nc[nH]c12)C1CC1	855099055	QNPKZPOTWUBJQW-QMMMGPOBSA-N	303.391	1.470	50	20	DDGD	
O=C(NN=C1CCCn2nccc21)[C@H]1COc2ccccc2O1	853261819	VRMGFPJMNFWTLB-OAHLLOKOSA-N	312.329	1.337	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NN=Cc1cccnc1	853372256	KWVVPGZPVGEDNC-ZIAGYGMSSA-N	313.361	1.433	50	20	DDGD	
O=C(Cc1ccncc1)NN=Cc1ccc(Br)nc1	756895843	YDVBLTRQHPVRMF-UHFFFAOYSA-N	319.162	1.932	50	20	DDGD	
O=C(CNc1ccccc1[N+](=O)[O-])NNC(=O)CC(F)(F)F	855001920	MKUCBIGXEFVRAD-UHFFFAOYSA-N	320.227	1.107	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1ccnc(Cl)c1)C(C)C	855468507	ZNFXDTPPCWVMGD-JTQLQIEISA-N	300.746	1.559	50	20	DDGD	
CSc1ccc(O)c(C(=O)NNC(=O)[C@@H]2CCCCO2)c1	854683211	LTEWQZGLTJQITB-LBPRGKRZSA-N	310.375	1.444	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)c2cccc(C#N)c2)[C@@H]1C	859193358	WTLWNBOZMUQMFA-FBKDDSFISA-N	301.346	1.379	50	20	DDGD	
CC(C)(C)[C@H](C(=O)O)C(=O)NNc1ncnc2ccsc12	852948882	NSHYMJREGBHKGM-QMMMGPOBSA-N	308.363	1.881	50	20	DDGD	
C[C@]1(CNC(=O)N2CCCC[C@@H]2CN)C[C@H]1Br	857105526	MUOKMZLTTJKZLF-CKYFFXLPSA-N	304.232	1.683	50	20	DDGD	
O=C(C[C@H]1CCC(=O)N1)NNc1cc(C(F)(F)F)ccn1	854678366	VYPQTHOVIMDNIY-MRVPVSSYSA-N	302.256	1.212	50	20	DDGD	
COc1cc(CCC(=O)NC[C@@]2(C)C[C@@H]2Br)on1	857389697	QCJBJURNVNCZBX-JOYOIKCWSA-N	317.183	1.906	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NC[C@]1(C)C[C@@H]1Br	857732508	ANQYMQPJZXEUDQ-FYBVGQRMSA-N	306.204	1.113	50	20	DDGD	
COCCC(=NNC(=O)c1cccc(F)n1)C1CCOCC1	853445095	WJXRQBZXPGAKRG-UHFFFAOYSA-N	309.341	1.770	50	20	DDGD	
COc1ccc(Br)c(C(=O)NN=Cc2cc[nH]n2)c1	755699151	PLUYKGCVWCIJND-UHFFFAOYSA-N	323.150	1.945	50	20	DDGD	
CN1C(=O)CC[C@H]1C(=O)NNc1ccc(OC(F)(F)F)cc1	752633230	ZBSJZUWOMWCCDF-JTQLQIEISA-N	317.267	1.649	50	20	DDGD	
COc1cc(C#N)ccc1C(=O)NNC(=S)NCCSC	935200296	ZWCWHTYWBZFOCO-UHFFFAOYSA-N	324.431	1.039	50	20	DDGD	
Cc1cscc1C(=O)OCC(=O)NNC(=O)c1ccccc1	750385501	NKGGNSHSIXNFRA-UHFFFAOYSA-N	318.354	1.675	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccc2[nH]c(C)c(C)c2c1	869913692	KCDWVBHPLGWCDP-UHFFFAOYSA-N	319.361	1.209	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)c1n[nH]c2c1CCC2	862287644	WPDHXGSKPDSZPI-UHFFFAOYSA-N	314.345	1.812	50	20	DDGD	
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)C(C)C	765370215	STIBSJKTQNGCMA-GFCCVEGCSA-N	307.350	1.967	50	20	DDGD	
COCCOCC(=O)NNC(=O)[C@H]1CC[C@H](C2CCC2)CC1	869903695	ZIIAGEDUUNHGEJ-HDJSIYSDSA-N	312.410	1.403	50	20	DDGD	
COC/C=C/C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	864475020	VPNLMCYDCMROMA-NSCUHMNNSA-N	306.406	1.943	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(Cl)c(C#N)c1	764471267	RQTHAKUUDBYLBV-UHFFFAOYSA-N	303.709	1.767	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N(CCO)Cc1cccnc1	866841598	HRHMHTVROLUQHE-UHFFFAOYSA-N	320.842	1.471	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CC(C)C)cc1N1CCOCC1	864724071	DWJOUYKVHRDOEJ-UHFFFAOYSA-N	319.405	1.639	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)c2cc3c(s2)CCC3)nn1	766338838	RJKDHODXVZMNJV-UHFFFAOYSA-N	319.390	1.313	50	20	DDGD	
CCCCS[C@H](C)C(=O)NNC(=S)NCCSC	769768157	FGQIKTAAYLYTNF-SECBINFHSA-N	309.526	1.767	50	20	DDGD	
CSc1ccc(C(C)=NNC(=O)CS(C)(=O)=O)cc1	863188215	QHUNSEZSTUKWSR-UHFFFAOYSA-N	300.405	1.293	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCCCc2cccs2)cn1	769726011	GRLMAMHUZNRSOV-UHFFFAOYSA-N	307.379	1.058	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1nc2ccc(Cl)cc2n1C	763359774	VIDCFEJVCXOJRH-UHFFFAOYSA-N	321.768	1.201	50	20	DDGD	
COCCOCC(=O)NNC(=O)/C=C\c1ccc(Cl)s1	869901798	YYQUKOPZRKFNBR-HYXAFXHYSA-N	318.782	1.225	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)C(=O)OC)c1ccccc1	1116181917	LWSFWICUUAAYOR-UHFFFAOYSA-N	321.377	1.248	50	20	DDGD	
C[C@@]1(CNC(=O)CC2(C(=O)O)CCC2)C[C@@H]1Br	872883378	NVHPNJRYEHXHDH-KWQFWETISA-N	304.184	1.921	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CN2CC[C@@H](C3CC3)C2)cc1	764484020	IDCAAAOJLKYZSR-OAHLLOKOSA-N	312.373	1.051	50	20	DDGD	
CO[C@@H](C)CN(C)C(=O)NNC(=O)c1nc2ccccc2s1	873301087	MAHSAPMAYZTJNF-VIFPVBQESA-N	322.390	1.617	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(CC(=O)N(C)C)cc1	878275677	RRCYZCWDKYAMAI-UHFFFAOYSA-N	308.338	1.052	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@@H](C)c1ccc(N)cc1	772297657	WCBHOVFXKXIZTO-MNOVXSKESA-N	321.377	1.252	50	20	DDGD	
Cc1cc(=NNC(=O)NCCc2ccc3c(c2)OCO3)cc[nH]1	875019598	WYSPJKOSYSFCSW-UHFFFAOYSA-N	314.345	1.409	50	20	DDGD	
CC(=NNC(=O)CCNC(=O)OC(C)(C)C)c1cn(C)cn1	872363699	NELPXFLMRDAREF-UHFFFAOYSA-N	309.370	1.175	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2CC[C@@H](C)C2)c1	776293158	WOLWNEAMBBYTFG-MNOVXSKESA-N	306.362	1.901	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@H]2CCCO[C@H]2C(C)C)cc[nH]1	875348674	OXOJEFDTDCGRJN-HIFRSBDPSA-N	306.410	1.889	50	20	DDGD	
Cc1cc(CC(=O)NN=CCCc2ccc3c(c2)CCO3)n[nH]1	774361734	LAZVYMPKYYJNPB-UHFFFAOYSA-N	312.373	1.930	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc(Cl)c(C#N)c2)n1	777795657	YODYHPPQZWCUOB-UHFFFAOYSA-N	303.709	1.767	50	20	DDGD	
CC(C)NC(=O)NN=Cc1ccc(C(=O)N2CCCC2)cc1	872346504	VERVKZXDDZEXTM-UHFFFAOYSA-N	302.378	1.964	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2nc(C)cc(C)n2)cn1	877467404	ZKPQANJCHAZEIT-UHFFFAOYSA-N	301.306	1.032	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCCc2ccc([N+](=O)[O-])cc21	773078981	KIWYPVZERVULOU-UHFFFAOYSA-N	320.305	1.107	50	20	DDGD	
O=C(C[C@@H]1CCS(=O)(=O)C1)NNc1c(F)cc(F)cc1F	885149128	LKAQWXHJYSONOC-ZETCQYMHSA-N	322.308	1.372	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@H]2CCCCO2)cc1	772219730	KRVSDBMFQRQSFX-CYBMUJFWSA-N	323.418	1.972	50	20	DDGD	
O=C(Cc1ccnc(O)c1Br)NNc1cnccn1	772583577	DKOCTGCFMWDAPS-UHFFFAOYSA-N	324.138	1.026	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1ccn(C(F)F)n1	775734694	WXNGNZGYCHTEEL-UHFFFAOYSA-N	321.247	1.480	50	20	DDGD	
CC(C)C(=O)NNC(=O)CC[C@@H]1[C@H](C)Nc2ccnn2[C@H]1C	1123574186	FZZFEXGKFXJYCI-SDDRHHMPSA-N	307.398	1.458	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CCC[C@H]2CCO)c1	779710255	AWKZAYZNEHSWAM-FZMZJTMJSA-N	321.377	1.650	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NC1(Cc2ccccc2)CC1	883751663	QZWSAUGXDNKNFO-OCCSQVGLSA-N	317.389	1.517	50	20	DDGD	
CC(C)(C#N)CNC(=O)NNC(=O)c1ccc(Cl)cc1F	781954264	FDABZWSKVYTLBE-UHFFFAOYSA-N	312.732	1.973	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2ccnc(CN(C)C)c2)n1	880610946	FDGBEMAPVMMGFH-UHFFFAOYSA-N	315.381	1.699	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=S)NCCc1ccc(F)cc1	789196754	PLZXOBHIRCJISU-UHFFFAOYSA-N	323.315	1.816	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1[C@@H](C)C1(F)F	1123574485	IVYVXKNNCRTNHA-XLDPMVHQSA-N	316.279	1.642	50	20	DDGD	
Cc1cc2ccccc2n1CC(=O)NNC(=O)C1CCOCC1	883060431	LSCXDQQOKNWPCH-UHFFFAOYSA-N	315.373	1.524	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CCN(C)[C@@H](C)C2)c1	780833238	FKBSAIFHZBPICO-AAEUAGOBSA-N	320.393	1.582	50	20	DDGD	
CC(=O)NC1CCC(C(=O)NNc2nc(C)cc(C)n2)CC1	1123583650	ALRATAMZZHTFGP-UHFFFAOYSA-N	305.382	1.231	50	20	DDGD	
COC(=O)[C@@H]1CSCCN1C[C@H](CBr)C1CC1	887078911	GGXUTLRBASKAHW-QWRGUYRKSA-N	322.268	1.998	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)c2cc(F)ccc2C)n1	782048366	LIGRNKHBHADAPA-UHFFFAOYSA-N	303.293	1.864	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CC(c2cccc(F)c2)C1	781585333	KMKSYGHFVKDROW-UHFFFAOYSA-N	303.337	1.798	50	20	DDGD	
O=C(C/C=C\Cc1ccccc1)NNC(=O)C1CCOCC1	894101076	JDUVBARUWMPZNY-PLNGDYQASA-N	302.374	1.749	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2CCO[C@H]2c2ccncc2)nc1	899661280	PKFVUSFZPXPBDZ-HIFRSBDPSA-N	309.329	1.569	50	20	DDGD	
Cc1nc[nH]c1CC(=O)NN=c1sc2ccccc2n1C	788273506	FZICWOAGNZEKCT-UHFFFAOYSA-N	301.375	1.446	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2COCCN2C2CCCC2)nc1	899661689	GHJLKHZPKKPELO-AWEZNQCLSA-N	315.377	1.040	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CCc2ccn(C)n2)c1	794211015	LDWKWWRKKJPZGP-UHFFFAOYSA-N	317.418	1.679	50	20	DDGD	
Cc1nn(-c2ccccc2)c(N)c1C=NNC(=O)c1ccccn1	794856512	MCMKJICUCTWZBT-UHFFFAOYSA-N	320.356	1.922	50	20	DDGD	
CN1CCC[C@H]1c1cc(C(=O)NNc2ccc(F)cn2)n[nH]1	899195681	ZGBFSEZFYOMNKY-LBPRGKRZSA-N	304.329	1.467	50	20	DDGD	
O=C(NNC(=O)c1cc2nccnc2cc1F)c1cccnc1	792012688	PZQGSRJNWCDCOS-UHFFFAOYSA-N	311.276	1.239	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)c2cnn(C)c2)[C@H](n2cncn2)C1	794516109	YOYVUHUWMJDMAQ-ZWNOBZJWSA-N	301.354	1.159	50	20	DDGD	
CN1CCc2cc(C(=O)NNC(=O)NCC(F)(F)F)ccc21	798314639	UQUSWRQOERQPKR-UHFFFAOYSA-N	316.283	1.185	50	20	DDGD	
N#CC1(CNC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CC1	797582060	CPVDLFQDNYWEOP-UHFFFAOYSA-N	324.344	1.120	50	20	DDGD	
C=C(CBr)COC(=O)[C@@H](C)N1CCSCC1	795571256	XWUUPSFFGYYZOU-SNVBAGLBSA-N	308.241	1.918	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cccc3c2CCO3)n1	797671794	QJBFPLMYUBHGKC-UHFFFAOYSA-N	301.306	1.569	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1c(C)nc2sccn12	1318565866	AYNHAHYJIBDYCN-UHFFFAOYSA-N	302.363	1.592	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2ccc(OC)cc2)c[nH]1	1319014900	MHIVKCIKJBAVLB-UHFFFAOYSA-N	301.302	1.574	50	20	DDGD	
CCCN1CCCC[C@@H]1C(=O)NNC(=S)NCC1CCC1	1328755514	ANLFWQBWEZQHAI-CYBMUJFWSA-N	312.483	1.546	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cn(C)c(=O)c2ccccc12	1320884840	VKAGSEOJLLLBND-UHFFFAOYSA-N	318.402	1.056	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2(C)CCC(=O)CC2)cc1	1324660114	MGZVKHAFYPBFAQ-UHFFFAOYSA-N	304.346	1.606	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCN(C(C)(C)C)CC2)cn1	1327932608	OMOFBCWTOQEVMU-ZROIWOOFSA-N	301.394	1.270	50	20	DDGD	
COCC1(C(=O)NNc2cncc(Br)c2)CC1	1320160647	WTSAPIKURHHMRN-UHFFFAOYSA-N	300.156	1.714	50	20	DDGD	
CCOC(=O)c1ncc(C(=O)NNC(=O)c2ccccc2)s1	1325307130	JQBUHYHSZCCWNR-UHFFFAOYSA-N	319.342	1.395	50	20	DDGD	
CC[C@@H](C)n1nccc1C(=O)NNC(=O)c1ccc(OC)cc1	1337735728	YMJZHLDIBLVKLE-LLVKDONJSA-N	316.361	1.938	50	20	DDGD	
CCc1oc(C=NNC(=O)C2CCOCC2)cc1C(=O)OC	1331350851	RUMPJLHJWOACPD-UHFFFAOYSA-N	308.334	1.505	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@H]2CCC=CO2)cc1	1338530435	DJOKTWHSBFHQIT-CYBMUJFWSA-N	305.334	1.332	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)NCc2ccco2)C[C@@H]1Br	1331068411	SVPMYADFIXNEQV-JOYOIKCWSA-N	315.167	1.186	50	20	DDGD	
O=C(NN=C1CCCN2CCCC[C@@H]12)c1nc[nH]c2ncnc1-2	1330917654	KNOQYKCRDKCZLY-NSHDSACASA-N	313.365	1.039	50	20	DDGD	
CCOCc1cc(C=NNC(=O)c2cccnn2)ccc1OC	1331991948	QTKLTSGMMSPVPU-UHFFFAOYSA-N	314.345	1.786	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)N2CCC=C(F)C2)C[C@@H]1Br	1261769591	BPRCUUWAFJYNRL-CABZTGNLSA-N	319.174	1.362	50	20	DDGD	
O=C(NC/C=C\C1CC1)NNC(=O)[C@@H]1COc2ccccc2O1	1261284559	ARGRGYOSWCHILN-NQHOJNORSA-N	317.345	1.123	50	20	DDGD	
CC1(C)[C@@H]2CC[C@@]1(C(=O)NNC(=O)Cc1ccsc1)C(=O)C2	1345965434	WHWRSSXTONMQBZ-BZNIZROVSA-N	320.414	1.833	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCN2CCC[C@H]2C)cc1	1352096508	GAKKRKAEOOXJIH-GFCCVEGCSA-N	320.393	1.124	50	20	DDGD	
CSSCCNC(=O)NC[C@@H](O)c1c(C)nn(C)c1C	1521502699	ANLFGOSKMQAYFF-SNVBAGLBSA-N	318.468	1.381	50	20	DDGD	
Cc1onc(CC(=O)NNc2ccc(C(=O)O)cc2F)c1C#N	1600864150	JNCLALHOAQZICF-UHFFFAOYSA-N	318.264	1.378	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2CSCCS2)c(F)c1	1608904488	VNTARIZIWKSVLN-SNVBAGLBSA-N	316.379	1.816	50	20	DDGD	
O=C(NC[C@H]1CCCCCN1)NNc1ccc(C(=O)O)cc1F	1608437345	ZORFVRXDGYRUIU-LLVKDONJSA-N	324.356	1.682	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@H](C(=O)NNc2cccc(C(=O)O)c2F)C1	1601145116	OAUJRNKAVUUKIN-BDAKNGLRSA-N	323.324	1.259	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2ccc(CC(=O)O)cc2)CCCCO1	1604577583	MUXDAYDRFKNKDL-INIZCTEOSA-N	321.377	1.899	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	1602231316	XJFUEOCVMWXISN-MWODSPESSA-N	308.309	1.782	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc(C(=O)O)c1	1600270991	WJCWLLZHZKWCON-JOYOIKCWSA-N	321.333	1.271	50	20	DDGD	
O=C(CCc1ccc(O)cc1)NNc1ccc(C(=O)O)cn1	1601289383	PJFWRDGESVHHNA-UHFFFAOYSA-N	301.302	1.561	50	20	DDGD	
C[C@H](CC(=O)O)NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	1603127234	WLXKUDQPLNWICE-SNVBAGLBSA-N	321.377	1.791	50	20	DDGD	
Cc1c(NNC(=O)N[C@H]2COCC2(C)C)cccc1C(=O)O	1607553630	XNJAGRFZOLYVKJ-LBPRGKRZSA-N	307.350	1.744	50	20	DDGD	
O=C(Cn1ncc2cccnc21)NNc1ccccc1C(=O)O	1601391958	YPZTVUKFORQGRR-UHFFFAOYSA-N	311.301	1.273	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1ccc(C(=O)O)cc1C	1602987668	VEEVNOHRHZBQOF-UHFFFAOYSA-N	300.318	1.499	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)[C@@H]1COc2ccccc2O1	1610852051	BYAQHPBMZXDHDP-AWEZNQCLSA-N	314.297	1.668	50	20	DDGD	
Cc1c(C(=O)NNc2ccc(C(=O)O)cn2)sc2nccn12	1610408019	WPWIWBBCFAYTEH-UHFFFAOYSA-N	317.330	1.554	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1ccc(N)cc1C	1549319030	FXNYTVCXAVOSTK-GDBMZVCRSA-N	316.405	1.281	50	20	DDGD	
COC(C)(C)CC=NNC(=O)[C@H]1CCCO[C@@H]1c1nccn1C	1549313073	YJWVUGFIEQAVDC-STQMWFEESA-N	322.409	1.805	50	20	DDGD	
CNC1(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)CCC1	1578593153	XZCJREGPBWUSLD-UHFFFAOYSA-N	314.345	1.245	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1)Nc1ccc(Cl)cc1Cl	1580736599	YZDWNANVMHEDFL-SNVBAGLBSA-N	317.176	1.898	50	20	DDGD	
C[C@]1(Br)C[C@H]1C(=O)NNc1ncccc1C(=O)O	1589181727	BMNJIHKHGFZIKL-CPCISQLKSA-N	314.139	1.396	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cn1)c1ccccc1	1589793184	OWMCVPGQBZGRKT-NSHDSACASA-N	323.360	1.899	50	20	DDGD	
C=CC[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843365793	JSWMYIWIUGUPEU-WDEREUQCSA-N	302.777	1.936	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cc[nH]n1)C2	1845163383	VBINCQZDRVADOG-SNVBAGLBSA-N	310.785	1.244	50	20	DDGD	
C=C(CBr)COC(=O)c1cncc(C(=O)O)c1	1588606354	YKQIMRDGOYXGLA-UHFFFAOYSA-N	300.108	1.888	50	20	DDGD	
C[C@H](Oc1ccccc1C=NNC(=O)NCC1CC1)C(=O)O	1593644507	LHBIXIIDWFNKTD-JTQLQIEISA-N	305.334	1.582	50	20	DDGD	
O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncccc1C(=O)O	1594707635	NZRWYIUCNADMED-UHFFFAOYSA-N	316.273	1.374	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H](C)CN)C2	1841667357	GZPCPDPWHPUGGV-VXGBXAGGSA-N	315.845	1.192	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(C(=O)O)cc1F)c1nncn1C	1593102696	VUWYXTWNTSENSP-SSDOTTSWSA-N	322.300	1.040	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2C[C@@H](C(=O)O)C2)cc1F	1598982984	SHCVKSKOEMCYSA-OCAPTIKFSA-N	310.281	1.166	50	20	DDGD	
C[C@H]1CC(=O)CC[C@@H]1C(=O)NNc1ccc(C(=O)O)c(F)c1	1594195874	DIKSIRDEMPNEIF-KWQFWETISA-N	308.309	1.972	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1cn(-c2ccccc2)nn1	1594781902	XGYBJADFCOKVPQ-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
CC(=NNC(=O)c1cccnn1)c1cccc(OCC(=O)O)c1	1776103723	XDQXPMJLKXDTHF-UHFFFAOYSA-N	314.301	1.094	50	20	DDGD	
COCCCS(=O)(=O)/C(C#N)=C/c1ccc(C(=O)O)s1	1777206980	JDMDAFFNWMWUOG-JXMROGBWSA-N	315.372	1.762	50	20	DDGD	
CCCNC(=S)NNC(=O)c1cnn(-c2ccccc2)c1	14937975	HBRFVGSHZDOROS-UHFFFAOYSA-N	303.391	1.391	50	20	DDGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)[C@@]1(O)CCSC1	158940024	OZFANINOASQDQE-LLVKDONJSA-N	322.308	1.896	50	20	DDGD	
C[C@H]1NC(C(=O)NNc2ccccc2)=NN(c2ccccc2)C1=O	151334734	YWGKSBFHVMAUAB-GFCCVEGCSA-N	323.356	1.468	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C[C@@H](C)c2ccccc2F)[nH]n1	153191314	SXUKWMCUKORGBZ-SECBINFHSA-N	304.325	1.812	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)c1cc(C)n[nH]1)c1ccccc1	153871059	NEKFGMRTNHDXQE-OAHLLOKOSA-N	302.334	1.041	50	20	DDGD	
Cc1onc(-c2ccncc2)c1C(=O)NNC(=O)c1ccc[nH]1	157199428	VIIORFMHWXMSQA-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
CCc1ncsc1NC(=O)C(=O)NNC(=O)c1ccccc1	159542016	NGNZFHMRHXKGEV-UHFFFAOYSA-N	318.358	1.105	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc([S@@](C)=O)cc2)nc1	159590235	SBWWLNOBZOKJBE-NRFANRHFSA-N	305.359	1.585	50	20	DDGD	
Oc1cc2c(nn1)CCN(C[C@H](CBr)C1CC1)C2	859257400	AHXRVKQBLOQDJP-NSHDSACASA-N	312.211	1.961	50	20	DDGD	
COCC[C@@H](CO)NS(=O)(=O)c1ccc(CCCl)cc1	312162942	UCZGXQWSVCKBBT-LBPRGKRZSA-N	321.826	1.144	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccccc1F)c1ccccc1O	7415919	AJOUKXDGRVLADD-UHFFFAOYSA-N	310.306	1.155	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1ccc2c(c1)OCCO2)C1CC1	67998085	VKJTXMCVEPUMCI-SNVBAGLBSA-N	304.346	1.655	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Cc1ccc2c(c1)CCCC2	103424828	BXBJOWRXWHVNAQ-UHFFFAOYSA-N	323.396	1.893	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)[C@H](C)C1	113622944	AYZGJPQGXUXKPH-NRWUCQMLSA-N	317.455	1.192	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCn1cncn1)c1ccccc1	110964381	ARRXJWZCTVIMPA-ZDUSSCGKSA-N	301.350	1.009	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H](C)N1[C@@H](C)CC[C@H]1C	109698504	NULJNZXYVADMDR-XQQFMLRXSA-N	319.405	1.718	50	20	DDGD	
COc1ccc(N2CCN(S(=O)(=O)CCl)CC2)cc1	111000335	NSFMMOKKGSDNFM-UHFFFAOYSA-N	304.799	1.343	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(Oc2ncccn2)cc1C	65483360	UPPHELXAMQPINH-UHFFFAOYSA-N	317.305	1.970	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNC(=O)c1ccc(Cl)cc1F	176916410	NGCKFWRAIUYAKI-BQYQJAHWSA-N	311.700	1.684	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc(Cl)nc2Cl)cn1	117681740	VTYZJBDGFISUNH-UHFFFAOYSA-N	314.132	1.197	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CCCOC1	170786659	FROMKDFCJVRIJG-QWRGUYRKSA-N	310.325	1.167	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C2CCOCC2)cc1OC	25174988	OBJWINTWPVDRAJ-UHFFFAOYSA-N	322.361	1.282	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)CCc1ccc(OC)cc1	69358955	HFSMNRNMWZIUNK-CYBMUJFWSA-N	320.389	1.756	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Nc2nc(C)c(C)o2)c1O	65819543	WDKWLQVJTYZYFC-UHFFFAOYSA-N	320.305	1.472	50	20	DDGD	
CN(C)C(=O)c1ccc(CNC(=O)NNc2cccnn2)cc1	172489851	ZMKAPXMPXJZUIB-UHFFFAOYSA-N	314.349	1.005	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)Nc2ccnn2CC2CC2)cc1	119651638	PQGLLEXQPNDIGO-UHFFFAOYSA-N	324.344	1.247	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Cc2ccc(F)cc2)n1	22440111	HMOVILBNHUAEOV-UHFFFAOYSA-N	304.325	1.029	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)C(=O)c1ccc(Cl)cc1	170722031	WPGZYAPQIZLQNJ-UHFFFAOYSA-N	318.716	1.690	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)C1(c2ccccc2)CCCC1	405049536	HCANWXKBXSZUDE-UHFFFAOYSA-N	309.174	1.817	50	20	DDGD	
CCOc1ncccc1NC(=O)NNC(=O)c1cccn1C	170701749	KOGAZHLFPPZSFR-UHFFFAOYSA-N	303.322	1.285	50	20	DDGD	
COCCCNC(=O)NNC(=S)Nc1cc(C)ccc1C	64937369	LPUUDOZOJXMZMB-UHFFFAOYSA-N	310.423	1.841	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccc(C(C)(C)C)nn2)o1	129078783	APQLXXXQHLXLQY-UHFFFAOYSA-N	318.333	1.911	50	20	DDGD	
O=C(Cc1cccc(F)c1F)NNC(=O)NCc1ccco1	127717516	DJEKNUFAKJNAFT-UHFFFAOYSA-N	309.272	1.631	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@@H](O)c1ccccc1	73495467	FZUWLAOZHHBUIF-HNNXBMFYSA-N	302.305	1.249	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1	72793066	SNMLFOYZNRDCLD-ZDUSSCGKSA-N	315.285	1.089	50	20	DDGD	
Cc1ccc(Cl)c(NC(=O)C(=O)NNC(=O)C(C)(C)C)c1	184494877	XQMBJHOCQCNCLT-UHFFFAOYSA-N	311.769	1.780	50	20	DDGD	
C[C@@H](Oc1ccccc1)C(=O)NNC(=O)c1ccc(Cl)nc1	77248621	XWCCVBPYGUWCQI-SNVBAGLBSA-N	319.748	1.964	50	20	DDGD	
CC(Cl)(Cl)C(=O)NNC(=O)CCc1ccccc1O	181888215	FGQCGMIYUNTMLT-UHFFFAOYSA-N	305.161	1.666	50	20	DDGD	
Nc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)c1ccccc1	180584871	GVHYYQKGDFLCJQ-UHFFFAOYSA-N	300.274	1.252	50	20	DDGD	
CCS(=O)(=O)CC(=O)NNc1nc2ccccc2cc1C	181302144	ILNNMRNSWJNIES-UHFFFAOYSA-N	307.375	1.421	50	20	DDGD	
CCn1c(C)cc(C(=O)NNc2cc(Cl)nc(N)n2)c1C	134037742	IIBMQZFGICSUST-UHFFFAOYSA-N	308.773	1.907	50	20	DDGD	
O=C(NNC(=O)C1CCC(O)CC1)c1ccc(Cl)cc1F	194378353	BLHOUPUEMMAUFK-UHFFFAOYSA-N	314.744	1.791	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cccc([N+](=O)[O-])c2O)n1	130354047	ACZRNACJWKETDS-UHFFFAOYSA-N	303.278	1.464	50	20	DDGD	
O=C(CCSc1ccccc1F)NNC(=O)[C@@H]1CCCO1	42968180	BAFIRUWSWVXCRW-NSHDSACASA-N	312.366	1.634	50	20	DDGD	
Cc1nn(C)c(C)c1-c1cc(C(=O)NNC(=O)C(C)(C)C)[nH]n1	130863764	FQRQHBSZFDGCIO-UHFFFAOYSA-N	318.381	1.234	50	20	DDGD	
CSC1(C(=O)NNc2nc3ccccc3c(=O)n2C)CC1	190419537	NDBMNNGERZWTDG-UHFFFAOYSA-N	304.375	1.272	50	20	DDGD	
CCc1nn(C)c(CC)c1CC(=O)NNc1ccnc(F)c1	190103369	FZNLOAUCNUYQKR-UHFFFAOYSA-N	305.357	1.765	50	20	DDGD	
CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1ccc(CCl)cc1	381829867	PNHGNSIPKQKKKH-SKDRFNHKSA-N	323.867	1.816	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)NC[C@H]2CCOC2)c1	47068138	KVMVPUWVZSEGAT-CYBMUJFWSA-N	321.377	1.049	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cccnc1Nc1ccccc1F	194922278	ZONIEVRWLQDQLE-UHFFFAOYSA-N	317.324	1.880	50	20	DDGD	
COc1cccc(CNC(=O)NNc2nc3ccccn3n2)c1	190363619	LMVUPGKAEJKZJP-UHFFFAOYSA-N	312.333	1.564	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNC(=O)c1cccc2ncccc12	92417389	VZVJWAZSXULYTB-UHFFFAOYSA-N	323.356	1.606	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](C)Oc2ccc(F)cc2)n1	266878570	BSLQAZJBAZELHE-SNVBAGLBSA-N	320.324	1.843	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Cc1ccc(OCC#N)cc1	264815240	WWKFOOHPQZSFFF-UHFFFAOYSA-N	305.334	1.687	50	20	DDGD	
COCCCNC(=O)NNC(=O)/C=C(\C)c1ccccc1OC	263860332	DAFJXJRBTBMEHS-VAWYXSNFSA-N	321.377	1.465	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCS2)cc1C	266513547	IDCNFFLUVCASKO-GFCCVEGCSA-N	321.402	1.285	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H](C)[C@H]1CCCNC1	269207152	OELBHVQAYNFZQD-MFKMUULPSA-N	312.845	1.857	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNC(=O)COc1cc(C)ccc1C	268140507	HPSIOMLKQPHCJR-LBPRGKRZSA-N	322.361	1.029	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)C1CCCCCC1	264594317	WRCPQWVUFNDRID-UHFFFAOYSA-N	306.362	1.889	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)Nc1nnc2ccccn12	273409042	PEVCZIRCSMBAPX-UHFFFAOYSA-N	302.338	1.462	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2nccc(OC)n2)C12CCC2	369842161	KLYPLEQQMNSFAZ-GHMZBOCLSA-N	321.381	1.459	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@H]2[C@@H](N)CCC[C@H]2C1	368484480	YTDIJJBEFCADOO-MJBXVCDLSA-N	324.856	1.938	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccc(Br)n1	272671495	KUJXPUBUDDHMKR-UHFFFAOYSA-N	301.144	1.150	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@H](COC)OC)cc1	272858404	HZUCPLTWNRNKQR-SCZPIIQISA-N	318.373	1.770	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNc2ccc(C(F)(F)F)nn2)O1	270060977	QAABJEHEQNRVLV-YUMQZZPRSA-N	304.272	1.896	50	20	DDGD	
N#CC1=CCN(CC(=O)NNC(=O)c2ccccc2Cl)CC1	272362410	BQLDJCAVDRNSKQ-UHFFFAOYSA-N	318.764	1.257	50	20	DDGD	
COC(=O)c1ccc(S(=O)(=O)N2CC=C(C#N)CC2)s1	273770753	ZLVLNYDKKRUAGN-UHFFFAOYSA-N	312.372	1.379	50	20	DDGD	
O=C(NNC(=O)c1cccc2ccsc12)C(=O)N1CCCC1	274256297	JFMPAZSQBNOWJB-UHFFFAOYSA-N	317.370	1.285	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccccc1OC1CCCC1	274139400	BAJHNPTYAXUDFS-UHFFFAOYSA-N	321.333	1.334	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)NC1CC(F)(F)C1	277274898	RXLVONWABHAYHC-UHFFFAOYSA-N	314.248	1.337	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2c(C)cccc2F)[C@@H]1OC	275305379	QVQCEDMILKKWAO-SCRDCRAPSA-N	311.357	1.953	50	20	DDGD	
CSSCCNS(=O)(=O)c1cc(Cl)cnc1N	284755359	UTHHLJKLDBEWCQ-UHFFFAOYSA-N	313.857	1.607	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)COc1cc(C)ccc1C)C1CC1	280005384	PRWSIEBQRPYEEE-HNNXBMFYSA-N	306.362	1.255	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)[C@H]1CC12CCOCC2	371851776	CFIGPSOGBYXEQM-CYBMUJFWSA-N	322.336	1.169	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Nc1c(C)noc1C	284598669	LFXOGGJSESAPLZ-UHFFFAOYSA-N	314.342	1.233	50	20	DDGD	
Cc1coc(C)c1C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1	289039002	JXXHZDTVANCASR-VXGBXAGGSA-N	323.393	1.157	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)c2cccc(N(C)C)c2)C1	286649671	KULFAGCJXKMMQH-UHFFFAOYSA-N	305.378	1.329	50	20	DDGD	
O=C(NCC1(c2ccccc2)CC1)NNC(=O)[C@H]1CCCCO1	297543124	USKBCMRYWCZDGO-CQSZACIVSA-N	317.389	1.618	50	20	DDGD	
CO[C@@H](C)c1nsc(NC(=O)NNC(=O)CC(C)(C)C)n1	809926366	XGJARXDZOZEITH-ZETCQYMHSA-N	315.399	1.834	50	20	DDGD	
CCn1c(NNC(=O)[C@@H](C)NC2CC2)nc2ccccc2c1=O	295831178	VIVVHVVGSUTJBW-SNVBAGLBSA-N	315.377	1.000	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1C	297684763	HBDCQUGODQYMRL-HZMBPMFUSA-N	319.361	1.918	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)NOCC2CC2)c1C	297455902	QLFCFPPHDJHJAP-GFCCVEGCSA-N	321.377	1.743	50	20	DDGD	
O=C(NNC(=O)c1cccc(O)n1)c1cccc(OC(F)F)c1	801618370	UGRQEMCSGSRSST-UHFFFAOYSA-N	323.255	1.463	50	20	DDGD	
O=C(/C=C/Sc1ccccc1)NNC(=O)C(=O)N1CCCC1	299596601	UTPOHHXTJYQIJQ-DHZHZOJOSA-N	319.386	1.062	50	20	DDGD	
CC(C)(CCC#N)CNC(=O)NNC(=O)c1ccc(C#N)cc1	807592627	GDQYFTVFGDAUQR-UHFFFAOYSA-N	313.361	1.832	50	20	DDGD	
CSSCCNC(=O)c1c(C)oc(C)c1S(N)(=O)=O	803472512	DWMHRZQTZOZYJO-UHFFFAOYSA-N	324.449	1.285	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)N2CCOCC2)c1C	299328964	BLAHBNGOTBPDDI-UHFFFAOYSA-N	321.377	1.145	50	20	DDGD	
C[C@@H]1CCC[C@@](CNC(=O)NNc2ncncc2F)(N(C)C)C1	292895929	BKHLXBFIWXGHHW-IAQYHMDHSA-N	324.404	1.752	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC(=O)c2cccn21)Nc1ccccc1	801990533	NYQYYXRPGIYMJT-CYBMUJFWSA-N	312.329	1.859	50	20	DDGD	
CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NNC(=O)CC1CC1	294201881	PLUIYFDTDMSLJY-CYBMUJFWSA-N	323.418	1.450	50	20	DDGD	
NC(=O)CC1(CNC(=O)NNc2ccc(Cl)c(F)c2)CC1	817787302	LRDBRGUDBWZOET-UHFFFAOYSA-N	314.748	1.761	50	20	DDGD	
O=C(NNc1ncncc1F)c1cccc(Br)n1	817082580	TYAXGLDRSRZUIU-UHFFFAOYSA-N	312.102	1.530	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=C1CCN(c2nccs2)CC1	815002215	QKGMFTCDKJIHME-UHFFFAOYSA-N	316.390	1.738	50	20	DDGD	
C[C@](O)(C(=O)NNc1nc(-c2cccnc2)no1)C1CCC1	813447027	AEXRFOSYIJQPQA-CQSZACIVSA-N	303.322	1.126	50	20	DDGD	
Nc1ncc2c(n1)CCCC2=NNC(=O)NC1CCCCC1	814720852	PLWXACIHQHMNNQ-UHFFFAOYSA-N	302.382	1.731	50	20	DDGD	
Cn1cncc1CNC(=O)NNC(=O)c1c[nH]c2ccccc12	811925573	UAMKPDVJZAWILL-UHFFFAOYSA-N	312.333	1.046	50	20	DDGD	
CCCN1C[C@@H](CNS(=O)(=O)CCCCCl)CC1=O	817142790	YQRNKNNPEICTHY-LLVKDONJSA-N	310.847	1.183	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CC(F)(F)F)ccc1[N+](=O)[O-]	725889238	SJWYBKLPYLIGPV-UHFFFAOYSA-N	321.211	1.317	50	20	DDGD	
COCCOCCN(C)C(=O)/C(C#N)=C/c1ccc(O)cc1	491175374	LASFTTIOOBCWQW-SDNWHVSQSA-N	304.346	1.421	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H]1NC(=O)O[C@@H]1C	496737339	DCHPUZASSDETRW-HTRCEHHLSA-N	313.745	1.193	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@]2(C)CCCC[C@@H]2O)cn1	491007301	FWNJRKMUGMMNEB-UYGWQNBPSA-N	302.378	1.384	50	20	DDGD	
CCOC(=O)C[C@H](C)NC(=O)/C(C#N)=C/c1ccc(O)cc1	491132171	MYVGUMGFVXAYFA-GJSJWPQCSA-N	302.330	1.757	50	20	DDGD	
C[C@H]1CCCCN1[C@H](C)CNC(=O)NNC(=O)OC(C)(C)C	490652613	SCSBKUBAHUMIHB-NWDGAFQWSA-N	314.430	1.988	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cc3n(n2)CCCC3)cc1	823677552	XERNYMHSQRDUAY-UHFFFAOYSA-N	312.373	1.857	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccccc1Cl	726076063	LZZWUZMRQNVMOR-UHFFFAOYSA-N	315.826	1.828	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)CNC(=O)c2cccs2)CC=CCC1	822970124	LDEBWHQURJYFQO-OAHLLOKOSA-N	321.402	1.372	50	20	DDGD	
CN(C)c1cc(C(=O)NNC(=O)CNc2ccccc2)ccn1	729514198	RGFRIECOEUURBA-UHFFFAOYSA-N	313.361	1.021	50	20	DDGD	
O=C(CO)NNC(=O)c1c(F)ccc(SCC2CC2)c1F	827893461	FKPQLMPDBPVSKD-UHFFFAOYSA-N	316.329	1.220	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCn1ccc2ccccc21	725908838	WKSHTXLGKLMPRM-UHFFFAOYSA-N	302.403	1.713	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)C1(c2cccc(Cl)c2)CC(=O)C1	823922644	LLYOKVYOMDOXMB-SNVBAGLBSA-N	310.781	1.285	50	20	DDGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC=C(N)N2)c(C)n1CC(C)C	829814740	SEOCBJBDDRKXDM-NVNXTCNLSA-N	313.405	1.815	50	20	DDGD	
Cn1c(=NNC(=O)c2cccc(O)c2O)sc2ccccc21	588514118	NCIXQKZYACDPQV-UHFFFAOYSA-N	315.354	1.897	50	20	DDGD	
CCn1nc(C2CC2)cc1C(=O)NNC(=O)c1cccc(C)n1	907892834	STEQESIOHZPUBZ-UHFFFAOYSA-N	313.361	1.559	50	20	DDGD	
C#CCCCC(=O)NN[C@H](Cc1ccc(F)cc1)C(=O)OC	901643890	KRWYCCRHUAVGQH-CQSZACIVSA-N	306.337	1.334	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=C1COCc2ccccc21	496602295	GAJWMIPWOQGEST-UHFFFAOYSA-N	319.361	1.562	50	20	DDGD	
C#CCC[C@H](O)CNC(=O)/C(C#N)=C\c1ccc(OCC)cc1	490876426	KFVFMFWOZFQJMP-QZFKAFNDSA-N	312.369	1.883	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC1CCN(C[C@H]2CCOC2)CC1	490781660	BPHHBMWPSFUYMZ-NXXVSJRMSA-N	307.394	1.047	50	20	DDGD	
C[C@H](OCc1ccc(F)cc1)C(=O)NNC(=O)NCC1CC1	822781855	KOLFEDLLGXKBKE-JTQLQIEISA-N	309.341	1.471	50	20	DDGD	
CC(C)COc1cccc(OCC(=O)NN(C)[C@@H](C)CO)c1	823946030	CTZCWWOCYIAFQL-ZDUSSCGKSA-N	310.394	1.444	50	20	DDGD	
CCN(CCO)NC(=O)c1c(F)cc(C(F)(F)F)cc1F	823885110	WMHKGTSVZDSMNH-UHFFFAOYSA-N	312.238	1.943	50	20	DDGD	
C[C@H]1OC(=O)N[C@@H]1C(=O)NNc1cccc(C(F)(F)F)c1	496391969	KQLARFURNOISOW-MUWHJKNJSA-N	303.240	1.645	50	20	DDGD	
COCCOc1ccc(NCc2ccccc2B(O)O)cc1	585012054	KWPTXQCBFITMLT-UHFFFAOYSA-N	301.151	1.004	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cccc(N2CCCC2=O)c1	732142216	RPRUKDNFWVTCOO-UHFFFAOYSA-N	301.346	1.375	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cnn(-c2ccccc2)c1C1CC1	823977344	USHNAZFUAASRSD-LBPRGKRZSA-N	314.389	1.707	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(C[C@@H](C)C(=O)OC)cc1	495311622	HLRWNLXQQAHUPS-SNVBAGLBSA-N	323.349	1.821	50	20	DDGD	
CC1(C)[C@H](c2ccccc2)CCN1C(=O)c1cccc(B(O)O)c1	585001659	XMXNSJAGJXLUBE-KRWDZBQOSA-N	323.201	1.775	50	20	DDGD	
C[C@H]1OC(=O)N[C@H]1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	495936617	SCLBDEGZKUFAON-MLUIRONXSA-N	314.685	1.188	50	20	DDGD	
CN(C(=O)OC(C)(C)C)C(C)(C)C=NNC(=O)Cc1cc[nH]n1	495717970	CRXMKJILAKUXPA-UHFFFAOYSA-N	323.397	1.700	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(-c2ccncc2)on1	833256398	NEUKMARETDNHFY-LBPRGKRZSA-N	316.317	1.067	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)C2CCC2)cc1	837315188	ORXVNOMEIQPRJP-NSHDSACASA-N	303.362	1.517	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@H]2CCc3ccccc3OC2)cn1	831871964	FPSMVLCXDOWPQN-AHQMPEJBSA-N	322.368	1.837	50	20	DDGD	
Cc1ccccc1C1=NO[C@@H](C(=O)NNC(=O)CC2CC2)C1	908448349	KRKXSILCMZPDKI-CQSZACIVSA-N	301.346	1.436	50	20	DDGD	
COCC1(CNC(=O)NNc2ccc(Cl)nn2)CCCC1	836659631	JXTPFSXKNIGKJP-UHFFFAOYSA-N	313.789	1.963	50	20	DDGD	
O=C(CCN1CCCC1=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	739244643	RWLWCZPQRFWLPG-UHFFFAOYSA-N	322.273	1.211	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)NC(=O)NNc1ncc(F)cc1F	838694991	VXALIHMJVOUBCG-MRVPVSSYSA-N	310.308	1.351	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2CNCc3ccccc32)n1	830980890	LNALELIAMLJTOZ-ZDUSSCGKSA-N	313.361	1.124	50	20	DDGD	
COCCN(Cc1ccc2c(c1)OCO2)S(=O)(=O)CCl	830451038	LXSBLSYXCZTBAX-UHFFFAOYSA-N	321.782	1.390	50	20	DDGD	
Cn1c(=NNC(=O)NO[C@@H]2CCCCO2)sc2ccccc21	588513867	FZHBEJVHKLEVFF-GFCCVEGCSA-N	322.390	1.813	50	20	DDGD	
C[C@H](Oc1ccccc1F)[C@@H](C)NCc1ccc(B(O)O)cc1	585028673	MUXVFBMXCZUUMB-OLZOCXBDSA-N	317.169	1.451	50	20	DDGD	
C[C@@H](Oc1cccnc1)C(=O)NNC(=O)c1ccccc1F	735422404	UTNAQDDHPIILDF-SNVBAGLBSA-N	303.293	1.449	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)SCCNC(=O)OC(C)(C)C	901609933	ADWSEJUEFRYBGN-VIFPVBQESA-N	319.427	1.190	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNc1nc(C(F)(F)F)cs1	839700298	GWPWTOQIGWSUFS-LURJTMIESA-N	324.328	1.753	50	20	DDGD	
CCC[C@H](C)N1C[C@H](C(=O)NNC(=O)CC(F)(F)F)CC1=O	918367062	KUGSIMPJXOYYMW-DTWKUNHWSA-N	323.315	1.123	50	20	DDGD	
CC1(C)COc2ccc(C(=O)NNC(=O)[C@@H]3CCCCO3)cc21	833236210	PWBCEARCBNFJFS-AWEZNQCLSA-N	318.373	1.687	50	20	DDGD	
O=C(NNc1c(F)cccc1F)c1sccc1-c1nn[nH]n1	738137986	WEYYKNYFHJRINR-UHFFFAOYSA-N	322.300	1.963	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1nnc(OC(C)C)s1	731906343	ZMRXJNMCSYFBPC-ZETCQYMHSA-N	318.424	1.363	50	20	DDGD	
Cc1nc(O)c2c(n1)CN(C(=O)[C@@]1(C)C[C@H]1Br)C2	913296268	YBHLDJNLKWOTKJ-SKDRFNHKSA-N	312.167	1.506	50	20	DDGD	
COCC[C@@H](C)NC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836269142	ZOAQETFAFDZFRB-SECBINFHSA-N	324.337	1.176	50	20	DDGD	
O=C(COC(=O)/C=C/C1CCCC1)NNC(=O)c1ccccc1	830811318	BBKBAPSMQDQPMJ-ZHACJKMWSA-N	316.357	1.737	50	20	DDGD	
CNC(=O)/C(C#N)=C\c1ccc(OC)c2oc(C(=O)O)cc12	830968875	WAUHMIVBZXXXAT-UITAMQMPSA-N	300.270	1.793	50	20	DDGD	
CC[C@@H]1CN(C(=O)c2c(C)nn(CCCl)c2C)CC[C@H]1N	834646928	KLRPTMHSSWEFMF-CHWSQXEVSA-N	312.845	1.938	50	20	DDGD	
CCSc1ccc(CC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	843658167	DUIALNWNXGVZAB-BXUZGUMPSA-N	322.430	1.914	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNc1ccc(CC(=O)OC)cc1	846378559	YKKAUOZZYIAOSR-GFCCVEGCSA-N	308.378	1.908	50	20	DDGD	
Cc1noc(CCCNC(=O)NNc2ccc(F)c(F)c2)n1	916435239	FHBAYOKKFRVGPE-UHFFFAOYSA-N	311.292	1.915	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)N[C@H](C)CCCN	841999667	NPKJQUJKEAXRGO-GFCCVEGCSA-N	322.409	1.086	50	20	DDGD	
CC(C)CCC(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1	744549827	VNUZOWFCKHADBJ-UHFFFAOYSA-N	317.345	1.299	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccccc1OC1CC1	843659245	XDMMNZHZVPXJOK-JQWIXIFHSA-N	304.346	1.414	50	20	DDGD	
CCOc1cccc2c1OCC(C(=O)NN(C)C[C@@H](C)O)=C2	910170587	MVGRODAESBLUCM-LLVKDONJSA-N	306.362	1.205	50	20	DDGD	
O=C(NNc1nccc2sccc12)[C@@H]1CCCS1(=O)=O	848369736	FRSMCPSCRNTPLT-JTQLQIEISA-N	311.388	1.317	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNC(=O)c1ccccn1	742031267	GEFRPAMSVLRREK-SNVBAGLBSA-N	315.377	1.072	50	20	DDGD	
Cc1noc(C)c1[C@H](C)NC(=O)NNC(=O)Cc1ccncc1	747501175	XRNQOSOZQKBDBP-VIFPVBQESA-N	317.349	1.321	50	20	DDGD	
CC(=O)Nc1ccccc1CNC(=O)NNC(=O)CC(C)(C)C	743642577	QMCHVEUAJCYQAW-UHFFFAOYSA-N	320.393	1.912	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cc1ccc2c(c1)CCC2	843648364	QDLVHHHLEXTFCK-IAQYHMDHSA-N	302.374	1.290	50	20	DDGD	
CSSCCNC(=O)Cn1nnnc1-c1ccsc1	843591601	NKHLNHUBHMUEKA-UHFFFAOYSA-N	315.449	1.529	50	20	DDGD	
CCCCC[C@@H](C(=O)NNC(=O)CN1CCCC1=O)C(C)C	913731801	WUVRZLQUGSSSRB-CYBMUJFWSA-N	311.426	1.609	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(-n2cccn2)cc1	843642974	BPEYNUNDIBXDDO-SMDDNHRTSA-N	314.345	1.058	50	20	DDGD	
CCC(=NNC(=O)CN1CCCC1=O)c1ccc(OC)cc1	916357608	AMDCYINTIWDZSI-UHFFFAOYSA-N	303.362	1.548	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1cccc(Cl)c1	842586612	OJOBFYHUFPPZPE-GZMMTYOYSA-N	318.782	1.075	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccc(C(F)F)nc1	848033373	VVKFXWVLUMAAIM-UHFFFAOYSA-N	312.198	1.526	50	20	DDGD	
CCN(CC)CCC(=O)NNC(=S)N[C@@H]1CCCC[C@H]1C	916126828	LXNFCHCECBSDJJ-CHWSQXEVSA-N	314.499	1.792	50	20	DDGD	
CC[C@H](NC(=O)NNc1nc(C)cc(OC)n1)C1CCOCC1	746771787	IIFJZDMCDFREMD-LBPRGKRZSA-N	323.397	1.625	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccccc1F)[C@@H]1CCCNC1	841928945	VUOCGHIPGUVISL-GHMZBOCLSA-N	308.357	1.158	50	20	DDGD	
COc1ccc2c(c1)OCC2=NNC(=O)Cn1nc(C)cc1C	749158451	OODCSBBCTFSVRZ-UHFFFAOYSA-N	314.345	1.421	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1c[nH]cc1-c1ccccc1	843973399	LBSFRRDZBSKQBK-DGCLKSJQSA-N	313.357	1.868	50	20	DDGD	
Cn1nnc2c1CC[C@@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C2	848311927	KOQUDGGCZDWBMG-LLBKUYECSA-N	323.356	1.101	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1C2CC3CC(C2)CC1C3	916361507	BQBLZGWBRZPQKL-DYCFOQDWSA-N	319.449	1.883	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCCCN1C1CCCC1	843970484	GOKDTWMAXPCTML-NWANDNLSSA-N	323.437	1.356	50	20	DDGD	
Cc1csc([C@H](C)C(=O)NNC(=O)NCC(F)(F)F)n1	847117952	ZIOSHYHAKIMPSD-ZCFIWIBFSA-N	310.301	1.448	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc([S@@](C)=O)cc2)n1	748338314	HIILGIFWWCLWOG-OAQYLSRUSA-N	324.793	1.933	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N[C@@H]1CCSC1	743507937	KEXBTGVNTQDFAX-SNVBAGLBSA-N	319.390	1.092	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cn1	843643059	HKPPDQMACOWSCM-JQWIXIFHSA-N	307.350	1.055	50	20	DDGD	
COC(=O)c1ccc(C(C)=NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	842555153	QEOYVZKHZJFRGY-BXUZGUMPSA-N	304.346	1.738	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2cc(F)c(F)cc2F)CCN1	841989317	VAJXRUGZCMWIKJ-HTQZYQBOSA-N	302.300	1.871	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)CCOC(C)C)c1	744697292	DTXWIPAANPHBTM-UHFFFAOYSA-N	322.361	1.114	50	20	DDGD	
C[C@@H](C[S@](C)=O)NC(=O)NNc1c(F)cc(F)cc1F	921925034	OSLLLCPCQZCNGF-SVPXGXJHSA-N	309.313	1.497	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC1CCN(C(=O)C(C)(C)C)CC1	848312083	SRHAYYGBZTXLFY-QXMHVHEDSA-N	307.394	1.584	50	20	DDGD	
COC(=O)NN=Cc1cc(OC)c(O)cc1Br	921251429	LCJSIOKVPWOAHY-UHFFFAOYSA-N	303.112	1.853	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)NCCc1cccs1)C1CC1	858782387	UKVCPFXGRDQDNL-LBPRGKRZSA-N	311.407	1.436	50	20	DDGD	
Cc1ccnc(NNC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1	756023904	RFKNZRUVAHXKTP-UHFFFAOYSA-N	321.362	1.186	50	20	DDGD	
C[C@H]1CC(=O)CC[C@@H]1C(=O)NNC(=O)c1cccc(Cl)n1	857323595	SCLGAGQIPXCQEI-WPRPVWTQSA-N	309.753	1.501	50	20	DDGD	
C[C@@]1(CNC(=O)NCC2=CCCOC2)C[C@@H]1Br	856858069	PHLOBDUKLXXAGK-JQWIXIFHSA-N	303.200	1.806	50	20	DDGD	
COc1cccc(NNC(=O)c2cc(C(F)(F)F)n[nH]2)n1	857482422	CLKVBXBCMSFJFP-UHFFFAOYSA-N	301.228	1.589	50	20	DDGD	
CN(C[C@H]1COCCO1)C(=O)[C@@H](Br)C(C)(C)C	855681193	HBKRPTXNORGZTE-VHSXEESVSA-N	308.216	1.670	50	20	DDGD	
CCOc1cc(C(=O)NNc2ccc(C)c(C(=O)OC)c2)on1	857263978	JJCXGVOJYZHMSJ-UHFFFAOYSA-N	319.317	1.925	50	20	DDGD	
CC(C)(C)c1csc(CNC(=O)NNC(=O)c2cn[nH]c2)n1	858197786	LEGOGVLXBNYOEB-UHFFFAOYSA-N	322.394	1.308	50	20	DDGD	
C[C@]1(CNC(=O)c2cnc3[nH]cnc3c2)C[C@H]1Br	857395879	VLUSRWZFWAKHED-BXKDBHETSA-N	309.167	1.861	50	20	DDGD	
COc1ccc(-c2nnc(SCC(=O)NNC(C)=O)o2)cc1	756772834	VFHDWJHCPAPTPT-UHFFFAOYSA-N	322.346	1.005	50	20	DDGD	
O=C(NNC(=O)C(F)(F)c1nccs1)NC1CCCC1	756821433	ZBTJPNUXLSRUFD-UHFFFAOYSA-N	304.322	1.508	50	20	DDGD	
CCn1nncc1CNC(=O)NC[C@]1(C)C[C@@H]1Br	858627531	BGLQCKSFIKRFLG-ONGXEEELSA-N	316.203	1.271	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2ncccc2C)cc1	750232935	KYTYPCUWFFGSKH-UHFFFAOYSA-N	314.345	1.272	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CCN(C)[C@@H](C)C2)cc(C#N)n1C	753617824	WBXLIIWMJLRQEE-QNKXHIPISA-N	311.389	1.275	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1	854925226	AGTABCDYLSJWEO-VIFPVBQESA-N	315.826	1.883	50	20	DDGD	
C[C@@H]1Cc2cc(CNC(=O)NNC(=O)C3CCC3)ccc2O1	926458753	ZBNBDLSNEPAECD-SNVBAGLBSA-N	303.362	1.641	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2cccc(Cl)n2)[C@H]2CCCC[C@@H]2N1	854602361	CHKSUVBJQFQFFG-VWYCJHECSA-N	322.796	1.873	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2COC[C@H]2C)c1C	926022174	JNWUVMKBOMNNRL-NOZJJQNGSA-N	307.350	1.443	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2	754863211	QUQBDLASTSOWRN-YNEHKIRRSA-N	307.394	1.465	50	20	DDGD	
CC(=O)N[C@H](CC(C)C)C(=O)NNc1oc(C(C)C)nc1C#N	858909972	KIMJRUQWBBCGRM-LLVKDONJSA-N	321.381	1.664	50	20	DDGD	
CS(=O)(=O)Nc1cccc(/C=C(\C#N)C(=O)N2CCCC2)c1	853005190	YYBXCLAQHKDIPW-UKTHLTGXSA-N	319.386	1.587	50	20	DDGD	
Cc1nn(C(C)C)cc1C(=O)NNC(=O)c1cccc(F)n1	856428163	PSWQOMBNYUDZJN-UHFFFAOYSA-N	305.313	1.381	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H](C)OCCC(C)C)nc1	759740381	VUURWTKHMWDRLO-LLVKDONJSA-N	309.366	1.763	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)[C@]1(C)CC=CCC1	855825365	CEYZBYXEWVCAHN-QGZVFWFLSA-N	323.437	1.823	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCC(=O)NC1CCCC1	750666142	JXNHZBJFLCOUQU-UKTHLTGXSA-N	314.341	1.901	50	20	DDGD	
C[C@H](CBr)COC(=O)/C=C/c1ccc(C(N)=O)o1	853928042	HUCFCKRXAPUOQD-RYEJSQLPSA-N	316.151	1.966	50	20	DDGD	
COc1ccc(F)cc1NC(=O)NNC(=O)c1cnccn1	757853058	AKMRIDYQNCGQIG-UHFFFAOYSA-N	305.269	1.091	50	20	DDGD	
Cc1ccnc(NC(=O)NNC(=O)COc2ccccc2F)c1	758000863	ZTPBSVDJDWSCKF-UHFFFAOYSA-N	318.308	1.761	50	20	DDGD	
CN(C)C1(CNC(=O)NNC(=O)c2cc3ccccc3o2)CC1	923004757	XOIBEURZSWNZJY-UHFFFAOYSA-N	316.361	1.471	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCc1nc2c(s1)CCC2	926570255	ODSRZOUMKMGENB-UHFFFAOYSA-N	310.423	1.551	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H]2CC23CCNCC3)C[C@H]1Br	857106412	MMOIVHDFYBJEFN-CKYFFXLPSA-N	316.243	1.601	50	20	DDGD	
COC(=O)C[C@H](NC(=O)[C@]1(C)C[C@H]1Br)C1CC1	934413162	SMVVZBZLGIPEGU-YGOYTEALSA-N	304.184	1.618	50	20	DDGD	
CC(C)Oc1ccc(CNC(=O)NNC(=O)c2cn[nH]c2)cc1	858119629	LHZGQTWTHJWNHI-UHFFFAOYSA-N	317.349	1.341	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NN=CC1(C)COC1	853373131	MOJWOMBGDROGPI-VXGBXAGGSA-N	306.366	1.026	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C[C@@H]1CC(=O)Nc2ccccc21	935291779	YOIGJAYOZGUJMJ-JTQLQIEISA-N	304.350	1.195	50	20	DDGD	
O=C(NNC(=S)NC[C@H]1CCCCO1)NC1CCCC1	758215836	XILPCMCESGURGV-LLVKDONJSA-N	300.428	1.176	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1ccc([S@@](C)=O)cc1	753042646	YAGWEYSAQSSIOC-OAQYLSRUSA-N	311.407	1.301	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCc1nnnn1C1CC1	750663638	ORQFKNUCQQFHQC-XFFZJAGNSA-N	311.301	1.364	50	20	DDGD	
CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)CC(C)C)C1	750296717	KMGPRJGSILAHGZ-ZSMADZGOSA-N	317.455	1.443	50	20	DDGD	
Cc1nc(N)nc(C)c1C(=O)NNCC(F)(F)C(F)(F)F	863096941	AGKAEOIZVOTJOY-UHFFFAOYSA-N	313.230	1.108	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c(O)c1	863859590	KLNSXIBAYRPWOU-ZHPDPMBESA-N	306.362	1.521	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NN=C[C@@H]2CCCO[C@H]2c2cnn(C)c2)O1	863169965	KNIAEXXGWMCJHW-AYRXBEOTSA-N	320.393	1.557	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@@H]1COc2ccc(Cl)cc21	762353533	FDSAXRUDJXUIMO-LLVKDONJSA-N	320.736	1.746	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1Cl	860226496	IIAWATXTAUXFDZ-JTQLQIEISA-N	310.741	1.080	50	20	DDGD	
CC1(C)[C@]2(C(=O)NNc3ncncc3Cl)CC[C@@]1(C)C(=O)O2	861181558	BKTXFVBBVLBCQW-UONOGXRCSA-N	324.768	1.695	50	20	DDGD	
COCCOCc1cccc(NC(=O)NNc2cnccn2)c1	769962306	ORQICGPERALLCM-UHFFFAOYSA-N	317.349	1.788	50	20	DDGD	
C=C(C)COCCNC(=O)NNC(=O)c1ccccc1OC	762067050	GFYCRTMHOQEJON-UHFFFAOYSA-N	307.350	1.232	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@]2(c3ccccc3)CCCO2)n1	930076935	MOAAUXJKPIABIB-INIZCTEOSA-N	314.345	1.634	50	20	DDGD	
COc1cccc(CC(=NNC(=O)CS(C)(=O)=O)C2CC2)c1	863187512	NOAJZTZPMDBRJM-UHFFFAOYSA-N	324.402	1.165	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2cc(Cl)cc(Cl)c2O)N1	863147095	YFWJXTKYJFKWCK-VIFPVBQESA-N	316.144	1.428	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H](C)Cn2ccc(C)n2)cc1	864490966	NCKJHIFDLJSXRB-GFCCVEGCSA-N	314.389	1.851	50	20	DDGD	
Cc1ccc2c(c1)N(C(=O)C(=O)NNC(=O)C1CCCC1)CC2	764068601	KTEUVMCLBVAXKY-UHFFFAOYSA-N	315.373	1.222	50	20	DDGD	
CCC1(CC)C(=NNC(=O)[C@@H](C)OCCOC)C[C@H]1OC	762601712	ADJRWQNQUODYDA-DGCLKSJQSA-N	300.399	1.735	50	20	DDGD	
CN1CCC(CNC(=S)NNC(=O)c2ccccc2F)CC1	760464941	BDCOVOZMVDZVQC-UHFFFAOYSA-N	324.425	1.276	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)c1cncc(N2CCCC2)n1	869244202	KMDPOKHXQLKEQX-UHFFFAOYSA-N	318.768	1.882	50	20	DDGD	
CCO[C@H](C(=O)NNc1ccccc1S(C)(=O)=O)C1CC1	860196869	LOLQDJKFHKLQHY-ZDUSSCGKSA-N	312.391	1.348	50	20	DDGD	
C[C@H]1N(C(=O)NNC(=O)c2cccc(C#N)c2)CCOC1(C)C	763607142	AZEGCMMPQCABOA-LLVKDONJSA-N	316.361	1.412	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cccc(F)n2)c1O	763982875	GLRAVYLUSRGGHX-UHFFFAOYSA-N	305.265	1.010	50	20	DDGD	
COc1ccnc(NNC(=O)c2cccc(OC)c2[N+](=O)[O-])n1	767564688	WPCFBQZWBDTDBB-UHFFFAOYSA-N	319.277	1.159	50	20	DDGD	
C[C@@H]1CSC(SCC(=O)NNC(=O)c2cccs2)=N1	766298319	NHNYMRCUDDZSTO-SSDOTTSWSA-N	315.445	1.734	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@H]2CCC[C@H](C(=O)N(C)C)C2)n1	875292925	DBFAGXWXDRESAM-STQMWFEESA-N	319.409	1.663	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCSC1	761803805	FVNJAFIXFAXBGX-VHSXEESVSA-N	312.366	1.494	50	20	DDGD	
CC[C@H](C)CC[C@H](O)CC(=O)NNC(=S)Nc1ccccn1	874956319	SPXSBXZBKGKJMX-RYUDHWBXSA-N	324.450	1.977	50	20	DDGD	
N#Cc1ccc(NNC(=O)Nc2ccc(-n3nccn3)nc2)cc1	775519556	LRYZXIWGXUSLBQ-UHFFFAOYSA-N	320.316	1.683	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2cnc([C@H](C)O)s2)cs1	773026887	DROFINSHLTUOIP-ZETCQYMHSA-N	310.404	1.654	50	20	DDGD	
O=C(NNC(=O)N1CCSCC1)c1nc2ccccc2s1	873297881	FXMJUEGNVLEPNJ-UHFFFAOYSA-N	322.415	1.700	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N[C@H](CO)c2ccccc2)c1	778650661	MXIXXNDEZDRVDI-OAHLLOKOSA-N	324.340	1.236	50	20	DDGD	
O=C(CCCOC1CCOCC1)NNC(=O)c1ccccc1O	878004049	NXNJYVCPYGYPKG-UHFFFAOYSA-N	322.361	1.129	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCCN1CCO[C@H](C)C1	771310984	INSCXOREEYRDEC-GFCCVEGCSA-N	310.373	1.481	50	20	DDGD	
CCc1cccc(NC(=O)NNC(=O)[C@@H](C)OCCOC)c1	779351588	SBWSZAXWCUXUIC-LLVKDONJSA-N	309.366	1.453	50	20	DDGD	
Cc1cnc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)c(C)c1	772258855	URTZMJUGHIXGSE-GFCCVEGCSA-N	321.377	1.437	50	20	DDGD	
Cn1ccc(NNC(=O)CC2(NC(=O)OC(C)(C)C)CCC2)n1	1118047499	CWERMTHLZPRXOH-UHFFFAOYSA-N	323.397	1.701	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(-c2n[nH]c(C)n2)ccc1C	878880710	KHCOVXKXNDWBPN-UHFFFAOYSA-N	318.381	1.703	50	20	DDGD	
Cc1nnccc1C(=O)NNc1ccnc(Br)c1	771532810	YEQYMJHJMULUBW-UHFFFAOYSA-N	308.139	1.699	50	20	DDGD	
C[C@](O)(C(=O)NNC(=S)Nc1cccc(Cl)c1)C1CC1	873785646	AXRAXEGMWYVKSL-CYBMUJFWSA-N	313.810	1.819	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)Cn2cc3ccccc3n2)n1	773866400	IEUOPICZHZDNPR-UHFFFAOYSA-N	317.740	1.205	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(S(C)(=O)=O)c1)c1cnn(C)c1	776540330	USLSJNUOFOOUBA-SNVBAGLBSA-N	322.390	1.070	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=S)Nc1ccccc1OC	873768893	FWPYIUBNJBIQAX-CQSZACIVSA-N	311.407	1.828	50	20	DDGD	
Cn1ncc2cc(C(=O)NNc3cc(Cl)ccn3)cnc21	778447227	IUAKUPVYUJNLBK-UHFFFAOYSA-N	302.725	1.774	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnn(C)c1Cc1ccccc1	770681403	KEHBGWTVXYJION-UHFFFAOYSA-N	315.377	1.317	50	20	DDGD	
CCOCC(=O)COC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	777042937	HZRAECATEDORFK-ACAGNQJTSA-N	315.329	1.261	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CC(=O)CC[C@H]2C)cc(C#N)n1C	885098179	ZCOMERRVMFRRTO-MQOXYSQQSA-N	310.357	1.692	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc(CC(=O)N(C)C)cc1	770333746	UWIAXZIAYNMDBY-UHFFFAOYSA-N	306.366	1.126	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN[C@H](c1ccccc1)C1CC1	776015095	KARRFXCRBLOHJZ-OAHLLOKOSA-N	303.406	1.921	50	20	DDGD	
O=C(CNC1(c2ccccc2)CC1)NNC(=O)c1ccccc1	777719889	DOJVRUYROZQMFA-UHFFFAOYSA-N	309.369	1.727	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(C#N)cn1)C1=CCN(C)CC1	888776578	BMPJNTPYBYAOMW-NSHDSACASA-N	300.366	1.230	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](C)Cc1c(C)nn(C)c1C	887144645	VMFNVDXJRQHQQT-LLVKDONJSA-N	304.394	1.166	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ncc(Br)s1	789976588	JGAUPXSKZLIQJK-UHFFFAOYSA-N	304.169	1.467	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H](CC(=O)NNc1ncccn1)C1CC1	785159966	RGULBAMBXLHHGC-LLVKDONJSA-N	321.381	1.613	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)[C@@H]1CCc2nncn2C1	885126590	AYJMFQTXYVEJNA-SNVBAGLBSA-N	305.769	1.946	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(Cl)c2c(c1)OCCO2	780709868	PMVLSUWDLOXETR-UHFFFAOYSA-N	313.741	1.417	50	20	DDGD	
CC(=NNC(=O)Cc1nc2ccccc2n1C)c1coc(C)n1	788968504	VDFKNBUPNWVHPJ-UHFFFAOYSA-N	311.345	1.953	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	780761890	KQYDJADVDQIINH-LLVKDONJSA-N	314.320	1.139	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NC[C@H]1Cc2ccccc2CN1	892813187	WLHKMSHYQLDWCV-CQSZACIVSA-N	318.421	1.468	50	20	DDGD	
CC1(C)OC[C@@H](CNC(=O)NNC(=O)CCc2ccccc2)O1	783286144	XQAUNZCYWCPDLB-CYBMUJFWSA-N	321.377	1.101	50	20	DDGD	
O=C(NCCOC(F)(F)F)NNC(=O)c1ccccc1F	788837732	RMGKUVUPNVKJLI-UHFFFAOYSA-N	309.219	1.306	50	20	DDGD	
CN(C[C@@H]1CCCC[C@H]1O)S(=O)(=O)CBr	782476567	CYRZOXLQYYSWOG-DTWKUNHWSA-N	300.218	1.152	50	20	DDGD	
COC(=O)[C@H](CNS(=O)(=O)CCCCCl)CC(C)C	780797597	LAOZINNEPCJXAK-NSHDSACASA-N	313.847	1.760	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NNc1ccc(C(F)(F)F)nn1	897198988	OETOAKLKJNPUOC-MRVPVSSYSA-N	317.315	1.811	50	20	DDGD	
C[C@@H]1CCc2[nH]nc(C(=O)NNC(=O)c3ccccc3F)c2C1	895462956	ZPDDBIKBZJOCST-SECBINFHSA-N	316.336	1.748	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cn(CC)nc1-c1ccccc1	897290130	VSQSVZUFHDWLMV-UHFFFAOYSA-N	315.377	1.876	50	20	DDGD	
Cc1nc2cc(C(=O)NNC(=O)c3ccccc3O)ccc2o1	792628015	DRAOWAZGFAIFFF-UHFFFAOYSA-N	311.297	1.917	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1ccc(Cl)nc1	792380962	UZLCONJYCONVJT-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCc2ccc(F)c(C)c2)n1	792778568	YHFGGFVMUXHNCP-UHFFFAOYSA-N	316.336	1.982	50	20	DDGD	
CCc1ccccc1S(=O)(=O)NNC(=O)c1cccc(C)n1	794599200	DPLAYCUPHUFAPC-UHFFFAOYSA-N	319.386	1.576	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNC(=O)Nc2ccccc2C)c[nH]1	798311021	BHXKMOFGVPGMOH-UHFFFAOYSA-N	300.318	1.458	50	20	DDGD	
COc1ccccc1-n1nccc1/C=C(\C#N)S(C)(=O)=O	797404615	HEIRJVVICKNKPS-FMIVXFBMSA-N	303.343	1.790	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1CC(c2cccc(F)c2)=NO1	798305560	UZOSKRXUODXHJZ-GFCCVEGCSA-N	322.365	1.000	50	20	DDGD	
Cc1ccc(C(=O)NNC(=S)NCC2CCC2)cc1C#N	799414246	KIGGGGDDEVSOKX-UHFFFAOYSA-N	302.403	1.776	50	20	DDGD	
CN(C)N(C(=O)[C@@H]1CCCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1	799863037	MVRFYZSSRSOVPA-MNOVXSKESA-N	324.393	1.304	50	20	DDGD	
C[C@H](CBr)COC(=O)CCn1cnccc1=O	796325949	CYPHPSLJSPQRGJ-SECBINFHSA-N	303.156	1.208	50	20	DDGD	
COCc1cc(C=NNC(=O)c2cc(OC)cc(OC)c2)no1	794873625	UBSMEAWANNHAOZ-UHFFFAOYSA-N	319.317	1.602	50	20	DDGD	
O=C(NNC(=O)c1cscc1Br)c1ccc[nH]1	794618583	QPHDBQDGSQGTHX-UHFFFAOYSA-N	314.164	1.914	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)c2ccc(C)cc2O)cn1	1317911300	JCOLXAZZINRBCC-UHFFFAOYSA-N	315.329	1.569	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)N(C)C[C@@H](CBr)C1CC1	701846742	WTPFLZFQHOKDTQ-GXSJLCMTSA-N	312.273	1.772	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2cn(C(C)(C)C)nn2)nn1	1320845071	OTMWQGGZINIEEM-UHFFFAOYSA-N	317.397	1.878	50	20	DDGD	
COc1cncc(C=NNC(=O)CCN2CCC(C)CC2)c1	1327645097	YKFZFUMKNHHRND-UHFFFAOYSA-N	304.394	1.662	50	20	DDGD	
COCCCNC(=O)NN=Cc1nc2c(s1)C[C@@H](C)CC2	1324201093	CAXZFVOUXDSHCT-JTQLQIEISA-N	310.423	1.938	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H]1CCC[C@H](F)C1	1326732056	DOZVMMHMNZAFCO-WDEREUQCSA-N	309.341	1.920	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=S)Nc1cccc(F)c1F	1253546327	LDNAZAXAMYGLJQ-UHFFFAOYSA-N	322.340	1.920	50	20	DDGD	
Cc1sc(=O)n(CC(=O)NNc2ncc(F)cc2F)c1C	1339030179	PXDADDVBJXSXQB-UHFFFAOYSA-N	314.317	1.343	50	20	DDGD	
CN(CCC#N)c1ccc(C=NNC(=O)C2CCOCC2)cc1	1330901928	FDODRJXVLAKVSI-UHFFFAOYSA-N	314.389	1.913	50	20	DDGD	
Cn1cc(C(=O)NNc2nncc(N)c2Cl)c(C2CC2)n1	1330127664	LYHXORZCQNFUQV-UHFFFAOYSA-N	307.745	1.080	50	20	DDGD	
CC[C@H](C)n1nccc1C(=O)NNc1ccc(C(=O)OC)cn1	1346486877	RPRAXQMXONGTQM-JTQLQIEISA-N	317.349	1.793	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C[C@H]1C(=O)Nc2c(F)cccc21	1341059643	GZUHDICZBATJOZ-SECBINFHSA-N	307.325	1.445	50	20	DDGD	
CCOC(=O)c1cc(CNC[C@@]2(C)C[C@H]2Br)[nH]n1	1351163022	MBMCFMLTCIPFSF-ZYHUDNBSSA-N	316.199	1.850	50	20	DDGD	
O=C(C1CCC(Cl)CC1)N1CC[C@@H](N2CC[C@H](O)C2)C1	1352199411	SVSTWTQSPPENLX-PQAZSJQKSA-N	300.830	1.452	50	20	DDGD	
CC(C)[C@H](NC(=O)NNc1ncncc1F)c1cnn(C)c1	1522443528	ANQCQSHQYBGFIK-NSHDSACASA-N	307.333	1.373	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(-c2nn[nH]n2)cn1)c1ccccc1	1603631793	XVBKDJJNCLHJES-JTQLQIEISA-N	324.348	1.649	50	20	DDGD	
Cc1nn(C)c(C)c1CCC(=O)NNc1ccc(C(=O)O)cn1	1600771664	SXWJHHOZCYDYJO-UHFFFAOYSA-N	317.349	1.206	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2cccc(F)c2C(=O)O)cn1	1608200091	CFAVQNAVKQFTSE-UHFFFAOYSA-N	300.249	1.547	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)CN2CCC[C@@H](C(=O)O)C2=O)c1	1600389421	FWPGTOGVZWFYTK-GFCCVEGCSA-N	319.361	1.070	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1C[C@H](C(=O)O)c2ccccc21	1604341049	BMGPSCSXMNQRNL-QWRGUYRKSA-N	307.306	1.212	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2ccccn2)o1	1603412146	HFXUKXVJCQTEMC-UHFFFAOYSA-N	314.309	1.130	50	20	DDGD	
O=C(O)c1cc(OC(=O)[C@H]2C[C@]23CCOC3)ccc1[N+](=O)[O-]	1608857487	KYVLZTOWOZRZFQ-YGRLFVJLSA-N	307.258	1.625	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)Nc1cc(C(=O)O)ccn1	1605815536	NGHZWABPQIYOKN-UHFFFAOYSA-N	317.261	1.837	50	20	DDGD	
CCCn1cc(C(=O)NNc2ccc(C(=O)O)cc2F)nn1	1609987952	RSJZMPSPESQNPB-UHFFFAOYSA-N	307.285	1.282	50	20	DDGD	
CO[C@@](C)(C(=O)O)C(=O)OC[C@@H](CBr)C1CC1	1604461391	IMMOWMJIUVHYCE-KCJUWKMLSA-N	309.156	1.440	50	20	DDGD	
O=C(O)CN(CCc1ccccc1)S(=O)(=O)CCCCl	1602057023	XAKRJVUFQNZUGA-UHFFFAOYSA-N	319.810	1.574	50	20	DDGD	
O=C(O)c1cccc(C(=O)NNc2c(F)cc(F)cc2F)n1	1608929161	CENNMWIGCNIQOQ-UHFFFAOYSA-N	311.219	1.954	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)C(C)(C)c1ccccc1)C(=O)O	1603560617	DHIFGZPZPQKWRH-LLVKDONJSA-N	321.377	1.405	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)cc1F)N[C@H]1CCCNCC1	1601556185	CMTWZUZMWFBDBQ-JTQLQIEISA-N	310.329	1.292	50	20	DDGD	
O=C(NN=Cc1cc(F)ccc1F)[C@H]1CN2CCC[C@H]2CO1	1549319354	UJJKSSOITJHVOE-GXTWGEPZSA-N	309.316	1.278	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@]1(C)C[C@H]2CC[C@H]1O2	1610286246	VJARWAYPOXYIIH-CKUKBARFSA-N	320.345	1.794	50	20	DDGD	
O=C(O)c1occc1C=NNC(=O)[C@@H]1Cc2ccccc2O1	1610873207	PPSZXQGCINMSQY-LBPRGKRZSA-N	300.270	1.432	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@@H]1C=NNC(=O)c1ccncc1	1552759767	MJWDEOATFIGXDB-KGLIPLIRSA-N	313.361	1.791	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)c1cnnn1C1CNC1	1578266037	WJHOVGPOTIHMQD-UHFFFAOYSA-N	300.366	1.050	50	20	DDGD	
NC[C@H](NC(=O)NNc1cc(Cl)ccc1F)C(F)(F)F	1580222210	OSMQONCVCPBLGJ-QMMMGPOBSA-N	314.670	1.995	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN1)c1cc(Cl)ccc1OC(F)F	1580733356	SORWCRHKNZHLRA-MRVPVSSYSA-N	319.695	1.064	50	20	DDGD	
CCOCCC(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1846680584	HMLKTAUADVDEET-LLVKDONJSA-N	306.765	1.151	50	20	DDGD	
COC[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](F)Cl	1847865877	ZLTNUJSCQCKOHH-NAKRPEOUSA-N	306.765	1.005	50	20	DDGD	
C[C@H](C(=O)O)n1cccc1C=NNC(=O)N=c1cc[nH]cc1	1589540052	OTCJDGIOVMOCTC-SNVBAGLBSA-N	301.306	1.106	50	20	DDGD	
C/C=C(/C)C(=O)N1CCCC12CN(C(=O)[C@@H](Cl)COC)C2	1845970399	ZPAMYMRNURZAJW-MCWZUMHDSA-N	314.813	1.410	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1ccc2c(n1)CNCC2	1580544209	FGLANZJCNREEEG-UHFFFAOYSA-N	324.384	1.121	50	20	DDGD	
CSSCCNC(=O)NC(C)(C)c1nocc1C(=O)O	1599803866	DPCPANLZXSEKPB-UHFFFAOYSA-N	319.408	1.918	50	20	DDGD	
CCCC(=O)N1CC2(CCCN2C(=O)[C@H](Cl)COC)C1	1846361520	ZRWVKNSYWFACPO-LLVKDONJSA-N	302.802	1.244	50	20	DDGD	
CC[C@H](NS(=O)(=O)c1ccc(CCCl)cc1)C(=O)O	1597351234	VPXLMJXDXWFHHT-NSHDSACASA-N	305.783	1.609	50	20	DDGD	
C/C=C/CNC(=O)/C(C#N)=C/c1cc(-c2nn[nH]n2)n(C)c1C	1590353381	GQXIBKCGGGYPBJ-RKEQOFPCSA-N	311.349	1.113	50	20	DDGD	
CCc1ncncc1C(=O)NNc1ccc(C(=O)O)c(F)c1	1597709446	QMDFMGIOJBXKOI-UHFFFAOYSA-N	304.281	1.633	50	20	DDGD	
C[C@H](Oc1ccccn1)C(=O)NNc1ccccc1C(=O)O	1593655159	BHGSPNIVMXOTMJ-JTQLQIEISA-N	301.302	1.690	50	20	DDGD	
O=C(C(Cl)Cl)N1CCO[C@]2(CCN(C(=O)C3CC3)C2)C1	1784910305	WGIQYHZETKWDJV-ZDUSSCGKSA-N	321.204	1.030	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Cc2cccnc2)cc1C	5337673	HJUOIHWASVPNOJ-UHFFFAOYSA-N	313.357	1.467	50	20	DDGD	
CCOc1cc(C(=O)NNC(=O)C2CC2)c([N+](=O)[O-])cc1OC	15663286	KTWUEYRWYUTURF-UHFFFAOYSA-N	323.305	1.173	50	20	DDGD	
Cc1cc(CC(=O)NNC(=S)Nc2cccc(Cl)c2)[nH]n1	17514220	XWHCEPHWUAJHSX-UHFFFAOYSA-N	323.809	1.932	50	20	DDGD	
COCC(=O)N[C@H](C(=O)NNc1cc(C)ccc1F)C(C)C	150803829	OGZNLSZXMUKJOZ-AWEZNQCLSA-N	311.357	1.364	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Cn1ccc2ccccc21)N(C)C	164000618	KSEBHXRTJUBDST-ZDUSSCGKSA-N	302.378	1.129	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2ccc3c(c2)NC(=O)CO3)c1	152585005	GWJQXCTVEINKBH-UHFFFAOYSA-N	308.297	1.646	50	20	DDGD	
CC1(C)C[C@@H](NC(=O)NNC(=O)[C@@H]2CCCO2)c2ccccc21	152623872	YHUMGJRKDXHMEU-KGLIPLIRSA-N	317.389	1.918	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1cc(F)cc2cccnc12	157283102	RMEHISISFCMSBJ-UHFFFAOYSA-N	323.291	1.797	50	20	DDGD	
Cc1cccc2[nH]cc(CC(=O)NNC(=O)c3cccn3C)c12	103428188	GVTIHNFUWYYUBQ-UHFFFAOYSA-N	310.357	1.819	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1cnn(C)c1)c1ccccc1F	117681101	TTXOGVHXHOZHKP-SNVBAGLBSA-N	304.325	1.514	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNC(=O)CC(C)(C)C)c1ccco1	103297855	OXDDKGHIRSGQJK-NSHDSACASA-N	310.398	1.649	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N1CCCC[C@H]1C	66888966	LKCUVYCDWKRFHT-LLVKDONJSA-N	315.377	1.872	50	20	DDGD	
COc1ccc(OC)c(CC(=O)NNc2cc(C)ncn2)c1	172279586	VNFIDHVKVHITKE-UHFFFAOYSA-N	302.334	1.488	50	20	DDGD	
CCN(CC)CC(=O)NNC(=O)c1ccc(CN(CC)CC)o1	64049416	IHBFNKXLLMQHAM-UHFFFAOYSA-N	324.425	1.224	50	20	DDGD	
CCCC[C@H]1CCC[C@@H]1NC(=O)NNC(=O)c1cnn(C)c1	117964874	GFIXOPZKJUYXIN-AAEUAGOBSA-N	307.398	1.723	50	20	DDGD	
Cc1cncc(C(=O)NNC(=O)CNc2ccc(C)cc2C)c1	175146570	XRIVXYGOTOGHLY-UHFFFAOYSA-N	312.373	1.880	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCC(=O)NC(C)C)c1ccccc1	111440225	CEIWDKGXRXCRTQ-CYBMUJFWSA-N	320.393	1.035	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)[C@H]3CCOC3)cc2C1	66897730	KVHGZVJHMAWLGJ-UWVGGRQHSA-N	308.403	1.670	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(C)o2)c(N)c([N+](=O)[O-])c1	176208013	JHWHZYHXUXUBKT-UHFFFAOYSA-N	318.289	1.462	50	20	DDGD	
O=C(CN[C@@H](c1ccc(F)cc1)C1CCC1)NNC(=O)C1CC1	112980124	QZJFHJYEDZSENA-MRXNPFEDSA-N	319.380	1.814	50	20	DDGD	
C[C@H]1Cc2ccccc2N1CCNC(=O)NNc1ncccn1	68638008	ZJVQBFLGNYXCIP-LBPRGKRZSA-N	312.377	1.554	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)[C@@H]2C[C@H]2C)cc1OC	24289493	QGPVYWBDPAIPEU-ZYHUDNBSSA-N	306.362	1.901	50	20	DDGD	
COC1CCN(C(=O)NNC(=O)CCCc2ccccc2)CC1	69340963	HCGUVCKCOHZXOR-UHFFFAOYSA-N	319.405	1.861	50	20	DDGD	
O=C(CCOC[C@@H]1CCCO1)NNc1nccnc1Cl	114894214	HMRSUXJJCREDJT-VIFPVBQESA-N	300.746	1.159	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=S)NCC(F)(F)F)c1	64081041	FANQBVOFWPZHGO-UHFFFAOYSA-N	321.324	1.431	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C2[C@H]3CCC[C@H]23)c1	175718646	QDLWCTLVNCHRHZ-KBPBESRZSA-N	302.374	1.876	50	20	DDGD	
CC(C)n1nccc1C(=O)NNC(=O)Cc1ccccc1F	121178567	NMUOHODQBFCTRX-UHFFFAOYSA-N	304.325	1.607	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)NC(=O)NNc1c(F)cccc1Cl	185391408	XCSCWUNFVOADOK-ZETCQYMHSA-N	323.777	1.538	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc(OCC(=O)O)cc1	212145510	VMZZCNABTDFTTI-LCYFTJDESA-N	318.329	1.210	50	20	DDGD	
CN(CC(F)F)C(=O)NNC(=O)COCc1ccccc1	127476571	ZDEAAJLPFKUTNB-UHFFFAOYSA-N	301.293	1.141	50	20	DDGD	
O=C(NNc1ccncc1)c1cn(Cc2cccc(F)c2)nn1	180498601	FXGZACLPXLEDIN-UHFFFAOYSA-N	312.308	1.617	50	20	DDGD	
Cn1c(NNC(=O)c2ccc(F)cn2)nc2ccccc2c1=O	182969282	IEWBTQCMNHFTML-UHFFFAOYSA-N	313.292	1.225	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNC(=O)c1ccc2ccccc2c1	124771487	YOSJMYUMZYNJPH-LLVKDONJSA-N	314.341	1.800	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cn(-c2ccc(C)cc2)nn1	129646721	BHCFFXWEFWTOAT-UHFFFAOYSA-N	316.365	1.320	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@H]2CCCC2(C)C)n1	79132527	WHWPFQXDDDXQCL-LBPRGKRZSA-N	307.398	1.409	50	20	DDGD	
CC(C)c1ccc(-c2nc(C(=O)NNC(=O)CO)cs2)cc1	180964924	KCVFMVGXUOOYNJ-UHFFFAOYSA-N	319.386	1.687	50	20	DDGD	
CCCc1cc(C(=O)NNc2cccc(S(C)(=O)=O)c2)[nH]n1	181132440	JJFBTNHHRJOXSO-UHFFFAOYSA-N	322.390	1.523	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c2ccccc21	71098475	VUHLIXFIERNNJY-HCKVZZMMSA-N	313.357	1.507	50	20	DDGD	
CCCn1cc(C(=O)NNc2cccc(S(C)(=O)=O)c2)cn1	183602374	RXFAQKYLWVQHAP-UHFFFAOYSA-N	322.390	1.454	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)cn1	75570380	IKCFKBFEWVEFOJ-UHFFFAOYSA-N	313.361	1.923	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1ccccc1[N+](=O)[O-]	78269312	NOUGWWNBPKOLNF-UHFFFAOYSA-N	314.301	1.468	50	20	DDGD	
CN(C)Cc1cccc(CNC(=O)NNc2cccnn2)c1	77344158	IZIDZKTWXKCJDU-UHFFFAOYSA-N	300.366	1.365	50	20	DDGD	
CC(C)n1nccc1NC(=O)C(=O)NNc1ccc(F)cc1F	131236104	WEEAROHVDMFRHS-UHFFFAOYSA-N	323.303	1.824	50	20	DDGD	
CCn1c(NNC(=O)c2cc(C)on2)nc2ccccc2c1=O	130036159	QUFPGCPNEATVSM-UHFFFAOYSA-N	313.317	1.470	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)c2ccc(F)cc2)c(=O)n(C)c1=O	193111852	BQLQYDCCNMYGMA-YRNVUSSQSA-N	313.288	1.013	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)C(F)(F)c1ccccc1	81025932	IMNLWNDGXJXPJX-UHFFFAOYSA-N	305.284	1.564	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccnc(Cl)c2F)c(O)c1	136945589	JQIVCIDVTLCMLZ-UHFFFAOYSA-N	323.711	1.963	50	20	DDGD	
O=C(Cc1ccc2c(c1)OCO2)NNc1nc2ccccn2n1	191884620	OTXLILBPWOETIE-UHFFFAOYSA-N	311.301	1.144	50	20	DDGD	
Cc1cc(C(=O)NNc2nc3ccccn3n2)cc([N+](=O)[O-])c1	191898034	WXGCNULTYNHVRR-UHFFFAOYSA-N	312.289	1.703	50	20	DDGD	
CN(NC(=O)CCn1c(=O)n(C)c2ccccc21)c1ccccc1	141349190	ZSSKULPBRIMOHX-UHFFFAOYSA-N	324.384	1.898	50	20	DDGD	
CCCC(=CC(=O)NNC(=O)C(=O)Nc1ccccn1)CCC	92500256	GOTPEYROWUTNDS-UHFFFAOYSA-N	318.377	1.694	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc(F)c(C)c1	94121627	XCQVMQKEGISAAY-UHFFFAOYSA-N	301.412	1.606	50	20	DDGD	
O=C(/C=C\c1ccc(Cl)nc1)NNC(=O)NCC(F)(F)F	255090245	CHHXDNJNEHASDZ-RQOWECAXSA-N	322.674	1.641	50	20	DDGD	
Cc1cc([C@@H](C)NC(=O)NNC(=O)c2cnn(C)c2)ccc1F	267615921	MEZMBDSEBACYAX-SNVBAGLBSA-N	319.340	1.573	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)N[C@H]1C[C@@H]1Cc1ccccc1	266976057	JCFLGPYNVXHLFL-HOTGVXAUSA-N	324.384	1.586	50	20	DDGD	
O=C(NNC(=O)c1ccc(-n2cnnc2)cc1)NC1CCCC1	263903715	QPOAVBAHARTWST-UHFFFAOYSA-N	314.349	1.154	50	20	DDGD	
Cc1nc(-c2ccco2)ccc1C(=O)NNC(=O)NC1CC1	263649858	AOXOJPFOIHRVSA-UHFFFAOYSA-N	300.318	1.756	50	20	DDGD	
C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NNc1ccc(Cl)nn1	268102622	AJIQHDCDYVCEPY-WCBMZHEXSA-N	310.789	1.239	50	20	DDGD	
COCC[C@@H](NC(=O)NNC(=O)c1ccc[nH]1)c1ccco1	272717617	DQFBQNLKEDAYEY-SNVBAGLBSA-N	306.322	1.330	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CCc2ccccc2C(N)=O)n1	279374338	AAEOCHMXSFXSTC-UHFFFAOYSA-N	313.361	1.268	50	20	DDGD	
COc1cccc(NNC(=O)CSC[C@@H]2CCCCO2)n1	272501355	HBGUYTWRXQSMEC-NSHDSACASA-N	311.407	1.836	50	20	DDGD	
COCCN(Cc1cccnc1)S(=O)(=O)CBr	271455166	XTBWIPSCRHZNLB-UHFFFAOYSA-N	323.212	1.212	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C[C@@](C)(O)c2ccccc2)n1	272658442	MHXUKNYOGWBTTD-MRXNPFEDSA-N	300.362	1.834	50	20	DDGD	
O=C(CC[C@H]1CCCO1)NNC(=O)CSc1ccccc1O	270746234	YZNJGMZUGZSJOB-LLVKDONJSA-N	324.402	1.591	50	20	DDGD	
C[C@@]1(C(=O)NNc2ncccc2F)Cc2ccccc2C(=O)O1	375924609	KLIIKUUGOBLXRG-INIZCTEOSA-N	315.304	1.836	50	20	DDGD	
NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)CCCCCl	275507891	MCJCCBHVVWGTBQ-LBPRGKRZSA-N	318.826	1.021	50	20	DDGD	
NNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1	270243074	ROQHTCOEGPRKTL-SNVBAGLBSA-N	312.167	1.044	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H](C)Oc1ccccc1	276656158	ZQIYAOJAUWZTSM-LBPRGKRZSA-N	324.377	1.391	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CCN(c3ccccc3F)C2)ncn1	377934324	WISYMFIIEPWTMX-GFCCVEGCSA-N	315.352	1.894	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NNc2nc(-c3cccnc3)no2)O1	282413279	CKTWLYIGJRTFJP-FXPVBKGRSA-N	303.322	1.388	50	20	DDGD	
O=S(=O)(CBr)NC[C@H]1COc2ccccc21	288455639	RYWUWMJYLYDGOH-QMMMGPOBSA-N	306.181	1.434	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H]1C[C@@H](c2ccccc2)OC1=O	289428672	VJLRPVWWQJVGGQ-OLZOCXBDSA-N	304.346	1.484	50	20	DDGD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NNc1nc(O)c2ccccc2n1	281338635	BIEHGWVCNVQSBJ-ZJUUUORDSA-N	314.345	1.784	50	20	DDGD	
CCc1c(C(=O)NNC(=O)COc2ccc(C)cc2)ccn1C	289344134	JSNXUZYCRKWHFZ-UHFFFAOYSA-N	315.373	1.736	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)C[C@H](C)CC(=O)OC)n1	289975253	ZKCYHADPJVYAHC-NSHDSACASA-N	323.397	1.355	50	20	DDGD	
Cc1nn(C)c(/C=C(\C#N)C(=O)NC2CC2)c1Br	280376842	DGSOYJAPHRERCE-VMPITWQZSA-N	309.167	1.677	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)[C@@H](C)OC)c1	283565635	GNMZEQBJXYWRFI-SSDOTTSWSA-N	301.730	1.536	50	20	DDGD	
COCCN(C)NC(=O)c1nn(-c2ccc(F)cc2C)cc1O	293522329	DDGFQZNUNJWTJK-UHFFFAOYSA-N	322.340	1.248	50	20	DDGD	
O=C(Cc1n[nH]c2ccccc12)NNC(=O)Nc1ccccc1	801988380	XQZRNCBRIUIYAD-UHFFFAOYSA-N	309.329	1.958	50	20	DDGD	
COC(=O)C(=O)CCCOC(=O)/C(C#N)=C\c1ccc(C)cc1	803234271	FWHYPOGROKARQE-UVTDQMKNSA-N	315.325	1.968	50	20	DDGD	
CC(C)(C(=O)NNc1ncncc1F)c1ccc2c(c1)OCO2	293926590	HJLNWMMXFNGGTI-UHFFFAOYSA-N	318.308	1.765	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H](C(=O)NNc2ccc(C#N)c(Cl)c2)O1	290325219	BDFUJGSVWYWUGQ-NWDGAFQWSA-N	323.736	1.375	50	20	DDGD	
C[C@@H]1CN(Cc2ccccc2)C[C@H]1CNS(=O)(=O)CCl	708560613	IHHHJKYWKFHSPJ-TZMCWYRMSA-N	316.854	1.870	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C	299000927	UDWBTZIXJJXCDF-AWEZNQCLSA-N	324.400	1.805	50	20	DDGD	
C=CCC(C)(C)CNC(=O)NNc1nc(O)c2cnn(C)c2n1	297211305	FBODSSNPGUWANA-UHFFFAOYSA-N	319.369	1.297	50	20	DDGD	
O=C(NNC(=O)c1cncc(F)c1)Nc1cc(F)cc(F)c1	802003805	YLOIGSBAQFEARJ-UHFFFAOYSA-N	310.235	1.965	50	20	DDGD	
N#C/C(=C\c1ccc(O)c(C(=O)O)c1)S(=O)(=O)NC1CC1	809156199	FCKIGINJCAYHDP-BJMVGYQFSA-N	308.315	1.037	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cc(C)cc(C)n1	800860370	SBBDGDQYVHPGSF-UHFFFAOYSA-N	313.357	1.711	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)[C@@H]2CCCO2)c(Cl)c1Cl	293871423	CVYJYBKYWAZNJM-QMMMGPOBSA-N	318.160	1.637	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1cc(C(F)(F)F)ccn1	295325287	LISMKXIFFCTUIB-VIFPVBQESA-N	321.299	1.985	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H](O)c2ccccc2Cl)O1	293899116	LHPAEXPWYAGAIJ-KPXOXKRLSA-N	312.753	1.088	50	20	DDGD	
COCCN(C)NC(=O)c1cc(-c2cccc(C#N)c2)no1	297079134	LXWNNNCTFFPHAA-UHFFFAOYSA-N	300.318	1.436	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)c2cc3ccccc3o2)n1	815756757	MEGVCDFKTUHMPE-UHFFFAOYSA-N	313.317	1.427	50	20	DDGD	
Cc1ncc2n1CC[C@@H](C(=O)NNc1cnnc3ccccc13)C2	810404286	LULICRHTOXXWFX-GFCCVEGCSA-N	322.372	1.840	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)c2cccc(C#N)c2)o1	815399447	XFUIJLLHXADMOD-UHFFFAOYSA-N	312.329	1.882	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)c2cccc(N(C)C)c2)c(C)o1	814252719	GKDGQGNDKSNIKI-UHFFFAOYSA-N	302.334	1.432	50	20	DDGD	
Cc1c(C(=O)O)oc2c1C(=NNC(=O)Cc1cc[nH]n1)CCC2	814958076	XZJVFCMFJOHFSF-UHFFFAOYSA-N	316.317	1.409	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1nn(-c2ccccc2)c2c1CCC2	816631872	JNDXHVJSLRUMBJ-UHFFFAOYSA-N	309.333	1.236	50	20	DDGD	
O=Cc1c[nH]c(C(=O)NNC(=O)c2cccc3cccnc23)c1	815151660	JHXPWIKIWSCCJL-UHFFFAOYSA-N	308.297	1.450	50	20	DDGD	
O=C(CCc1nc(-c2ccccn2)no1)NNC(=O)CC1CC1	819144708	UMUOBVLPYLDAJQ-UHFFFAOYSA-N	315.333	1.012	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=Cc2cnc(N(C)C)nc2)c1	814732484	OAGILGHYAJXINT-UHFFFAOYSA-N	312.377	1.373	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)C=C2CCCC2)cc1	812729452	MGVNWMCRMSFMLE-UHFFFAOYSA-N	323.418	1.880	50	20	DDGD	
O=C(CCc1cncnc1)NNC(=O)Nc1ccc(Cl)cc1	816595174	CHVPNXAKXLVYME-UHFFFAOYSA-N	319.752	1.916	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCCSC2)c(OC)c1	810355377	ABGVXAKJQSYNDR-JTQLQIEISA-N	324.402	1.608	50	20	DDGD	
CO[C@@H](CC(C)C)CS(=O)(=O)NNC(=O)c1ccccc1	817348101	GOKNNWOEIBZSHM-ZDUSSCGKSA-N	314.407	1.312	50	20	DDGD	
C[C@@H](C(=O)OCC(=O)NNC(=O)c1cccs1)C(C)(F)F	815494549	HKYGEQTVDMMUQE-ZETCQYMHSA-N	320.317	1.344	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NCc2nc(N(C)C)no2)c(C)c1	812219334	DMQASDVRVAPAFJ-UHFFFAOYSA-N	318.381	1.887	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc(Cl)n1)[C@@H]1CN(C)CCO1	814314045	WFCLQFKDTKVSTA-ZJUUUORDSA-N	313.789	1.080	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1sc(C)nc1C	726737343	OQLLWAANGIQGIZ-SNVBAGLBSA-N	324.450	1.568	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc2oc(S)nc2c1	823810727	SJIUPENBSGGGDC-UHFFFAOYSA-N	306.347	1.471	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cnn2cccc(Cl)c12	821750878	UQLDUPZYQSQLMT-UHFFFAOYSA-N	306.753	1.939	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(-c2cnn(C)c2)ccc1F	823935366	QIDAIRZOUNOABI-SNVBAGLBSA-N	306.341	1.184	50	20	DDGD	
C[C@@H]1OC(=O)N[C@H]1C(=O)NNc1ccc(C(F)(F)F)cn1	496204172	DWTVTEYPLLWKPC-YLWLKBPMSA-N	304.228	1.040	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)C1CCN(C)CC1	822727254	ATUVJXXSADPYPZ-UHFFFAOYSA-N	309.341	1.397	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](Br)C(C)(C)C)nc(N)n1	828372303	XQHIRPXBJYZZAU-QMMMGPOBSA-N	316.203	1.620	50	20	DDGD	
CCN(CCc1ccccn1)C(=O)/C(C#N)=C\c1cnn(C)c1	822707554	ZXZQBHKWZYAVFL-GDNBJRDFSA-N	309.373	1.813	50	20	DDGD	
C[C@@]1(C(=O)NNc2cccc(Br)c2)CCNC1=O	821147303	DAETUWKVKPHKBS-GFCCVEGCSA-N	312.167	1.418	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc(CCC(C)C)cc1	495407185	IVHFTDHKFGWJAT-UHFFFAOYSA-N	321.377	1.991	50	20	DDGD	
O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CC[C@H](B(O)O)C1	585069909	TXQPJDVNJYUVMK-JTQLQIEISA-N	320.541	1.684	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1ccc(F)c(F)c1	825942996	RRQVZEBCSRIQIV-WCBMZHEXSA-N	313.304	1.220	50	20	DDGD	
CCN(CCO)NC(=O)c1cnc(OC(C)C)c(Cl)c1	823852433	HRXNAXOKQAUGCS-UHFFFAOYSA-N	301.774	1.481	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCc1nnc(-c2ccccc2)o1	823983469	VDKJWORDKXDAKL-LLVKDONJSA-N	304.350	1.013	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CCCc1ccccc1)c1cnccn1	906538763	CPATWYIFMHRJJK-ZDUSSCGKSA-N	312.373	1.750	50	20	DDGD	
Cc1oc(-c2ccccc2F)nc1C(=O)NN(C)[C@H](C)CO	823952977	VUUVHCKKUCTAGS-SECBINFHSA-N	307.325	1.747	50	20	DDGD	
CCN(CCO)NC(=O)[C@H](C)Oc1ccc(CCC(C)=O)cc1	823852352	FAZDKFRQUMICPH-AWEZNQCLSA-N	322.405	1.321	50	20	DDGD	
COCCn1ccc(NC(=O)[C@@]2(C)C[C@@H]2Br)n1	906501439	LLRNXSLVTSZQFV-KWQFWETISA-N	302.172	1.642	50	20	DDGD	
CN(C(=O)c1cc(B(O)O)ccc1F)C1CCC(F)(F)CC1	584990163	QBZWHSMMXLVZNH-UHFFFAOYSA-N	315.100	1.155	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1ccc2c(c1)CC(C)(C)O2	496614103	AGZHPDRUFVZAGO-UHFFFAOYSA-N	314.363	1.340	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CNCc1ccc(B(O)O)cc1F	585029887	LHFCNUDWNJADIR-SECBINFHSA-N	306.146	1.004	50	20	DDGD	
O=C(NN=Cc1ccc2c(c1)OCCCCO2)c1ncon1	901287796	ZHOPMECDYCPHQW-UHFFFAOYSA-N	302.290	1.385	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@H](C2CC2)[C@@H](CO)C2CC2)cn1	491100454	AVNKTULKKODNGF-VFPQPWSNSA-N	314.389	1.240	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)NN(C)c1ccccc1)C2	496197601	DMQHFICCRQTVIM-QEJZJMRPSA-N	315.373	1.797	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cc2cc(F)ccc2o1	829724552	POLOPDGVHDPVKK-MRVPVSSYSA-N	314.338	1.928	50	20	DDGD	
Cc1ccccc1CCN(C)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	827267937	KMUZSQAOLDMULO-HIFRSBDPSA-N	319.405	1.635	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)Cc1ccc(OC)c(OC)c1	732196608	DAXHVZBUXIBEFU-NSHDSACASA-N	323.393	1.082	50	20	DDGD	
C[C@H]1CCc2c(F)cccc2[C@H]1NCc1cccc(B(O)O)c1	585026655	PTZPNOHRHDSLRA-SGTLLEGYSA-N	313.181	1.919	50	20	DDGD	
C[C@@H](Oc1ccccc1)C(=O)NNc1cccc(-c2nn[nH]n2)c1	824745194	OMVIKVPWWFDHCF-LLVKDONJSA-N	324.344	1.777	50	20	DDGD	
C=CCN(Cc1ccccc1F)[C@H](C)C(=O)NNC(=O)CC	731849160	SXUHDEBXJXWLSW-GFCCVEGCSA-N	307.369	1.760	50	20	DDGD	
COC(=O)NNC(=O)CCc1cc(Br)ccc1F	495326977	URVDZIYZAUEQDM-UHFFFAOYSA-N	319.130	1.908	50	20	DDGD	
Cn1cc(CCC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)cn1	739029173	UIOIXGITLYUOGG-UHFFFAOYSA-N	319.273	1.565	50	20	DDGD	
CN(CCCn1ccnc1)C(=O)[C@]1(C)C[C@@H]1Br	907047169	NQUXQJYASWIHTF-CMPLNLGQSA-N	300.200	1.905	50	20	DDGD	
CC[C@@H](C)[C@H](NNC(=O)COc1ccc(OC)cc1)C(=O)OC	905746600	CKQOQMSFQQKBLO-ABAIWWIYSA-N	324.377	1.283	50	20	DDGD	
Cc1ccnc(-c2n[nH]c([C@H](C)NS(=O)(=O)CCl)n2)c1	831308695	OMIZWJXUFZNRKE-QMMMGPOBSA-N	315.786	1.352	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1cccnc1C	730998284	RZPUOWALCDUWPE-UHFFFAOYSA-N	315.329	1.239	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCCNC(=O)C(C)C)cc1	838533400	FQQJEJLWWYMRJN-UHFFFAOYSA-N	322.409	1.874	50	20	DDGD	
CO[C@](C)(CNC(=O)NNC(=O)CC(C)C)c1ccccc1	836587443	AFAHGLMZMBBXSA-MRXNPFEDSA-N	307.394	1.925	50	20	DDGD	
O=C([C@H]1CCCCN1Cc1ccccc1)N1CC[C@@H](B(O)O)C1	585070534	ZFYSFCVMQCQPFZ-HZPDHXFCSA-N	316.210	1.116	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H]2CCOC2)c1C	730401730	PGFVFRJGWIMUKI-QOBZYLRHSA-N	318.373	1.990	50	20	DDGD	
COc1ncccc1C(=O)NNC(=O)c1ccc2ccccc2n1	906309610	UILCOYGMKXCYGM-UHFFFAOYSA-N	322.324	1.713	50	20	DDGD	
CC(C)C(=O)Nc1ccc(NCc2ccc(B(O)O)o2)cc1	585012889	RDLRDCVTSJDCBH-UHFFFAOYSA-N	302.139	1.166	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccnc(C(F)(F)F)c1	833236550	SQPZSQGMVQDCQK-SECBINFHSA-N	317.267	1.431	50	20	DDGD	
C[C@@H](NC(=O)NNc1cc(F)c(F)cc1F)c1nncn1C	734657372	DTRXQYURYMESNV-ZCFIWIBFSA-N	314.271	1.620	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccn1)[C@@H]1C[C@]12CCOC2	832968894	QQHISMXNRXZAKR-CABZTGNLSA-N	301.268	1.970	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1CCC[C@@H]1Oc1ccccc1	585022860	BNCKNVFBHNFISK-MSOLQXFVSA-N	311.190	1.456	50	20	DDGD	
CC[C@@H](C(=O)NNC(=S)NC1CCOCC1)c1ccccc1	731941293	QLBAYKVWAAVPJJ-CQSZACIVSA-N	321.446	1.855	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCCCSC)cc1F	838481478	JXEDGHSIQONMHV-UHFFFAOYSA-N	315.370	1.992	50	20	DDGD	
CC(C)n1cc([C@@H](C)NC(=O)NNC(=O)CC(F)(F)F)cn1	732892769	ICHPRDBDTWWABC-MRVPVSSYSA-N	321.303	1.808	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@H]2CCCC[C@@H]2O)cc1F	837058246	KYMJVRLTJHIYFQ-YGRLFVJLSA-N	324.352	1.997	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CC[C@@H]2CCCO2)cc1C	914749045	XWAPUVVOMHEDEJ-AWEZNQCLSA-N	320.389	1.789	50	20	DDGD	
CC(C)(C)Oc1cccc(CNC(=O)NNc2ccncn2)n1	836382779	QJBRWVLIVKMAHA-UHFFFAOYSA-N	316.365	1.875	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H]2CCCCO2)cc1F	836289560	JXYPMTKCFGPYDA-GFCCVEGCSA-N	311.313	1.556	50	20	DDGD	
O=S(=O)(CCl)NCc1ccncc1OCC(F)(F)F	831381427	MNBYUWJMYWFBGK-UHFFFAOYSA-N	318.704	1.638	50	20	DDGD	
O=C(NNC(=S)N[C@H]1CCc2ccccc2C1)NC1CC1	742993772	ULVGJDZQLXBUAB-ZDUSSCGKSA-N	304.419	1.385	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)[C@@H](O)c1cccnc1	749289121	IEXPBMNDXRAVMX-LBPRGKRZSA-N	322.708	1.820	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)/C(=C\c1ccccc1)C(F)(F)F	910150266	QWBQWMIODBLFTC-ZDIKFAODSA-N	302.296	1.976	50	20	DDGD	
CC(C)=CCC[C@@H](C)NC(=O)NNC(=O)Cn1nc(C)cc1C	838656466	MTGQBGBXPULRNF-GFCCVEGCSA-N	321.425	1.965	50	20	DDGD	
CCOc1ncccc1NC(=O)NNC(=O)Cc1ccncc1	747441612	SNZJRFSSMJMUDF-UHFFFAOYSA-N	315.333	1.271	50	20	DDGD	
O=C(COC[C@@H]1CCCO1)NNc1cc(F)c(F)c(F)c1	746703815	GOTJFXZDSQFFOR-VIFPVBQESA-N	304.268	1.743	50	20	DDGD	
O=C(NC[C@H]1CNCCO1)[C@@]12CC[C@@H](C[C@@H]1Br)C2	846682145	MBNUVTNDLSIWHS-SRRSOLGSSA-N	317.227	1.045	50	20	DDGD	
Cc1cc(C(=O)OCC(=O)NNC(=O)c2ccccc2)c(C)[nH]1	914967388	TWFAWVWWERFRJK-UHFFFAOYSA-N	315.329	1.250	50	20	DDGD	
CC(C)(C#N)CS(=O)(=O)NC[C@]1(C)C[C@@H]1Br	917864376	BANTZMDSBIMRAZ-WPRPVWTQSA-N	309.229	1.629	50	20	DDGD	
C[C@H](N)[C@H](C)NC(=O)NNC(=O)c1cccc2ccccc12	842004420	KPHYFOBRCVERMP-QWRGUYRKSA-N	300.362	1.520	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)/C=C(\C)COC)cc1OC	845088762	ZMDWBTMGRAANKB-DHZHZOJOSA-N	322.361	1.448	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)COc2cc(C)ccc2C)o1	847287679	ZBZYITVNCLALHH-UHFFFAOYSA-N	318.329	1.745	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NN(C)C[C@H](C)O)cc1	910172297	ARHFAQLHGZZXIV-IGVUGNCQSA-N	303.362	1.336	50	20	DDGD	
O=C(COc1ccc(Cl)cc1)NN=Cc1ccc(C(=O)O)[nH]1	749811443	BQDCUOASNNVRAE-UHFFFAOYSA-N	321.720	1.895	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)Cc2nc(C3CC3)nn2C)c1	843835504	XCCFRVPOUARUJW-UHFFFAOYSA-N	303.341	1.826	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)C[C@H]1CCCS(=O)(=O)C1	848083853	QUYIXSCVAURSJQ-MRVPVSSYSA-N	302.223	1.463	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(C)(C)C1CCC(O)CC1	843970197	CBRDYIFLMDXJRS-YWPUVAFDSA-N	312.410	1.136	50	20	DDGD	
Cc1ccc(OCC(=O)NNc2ccnc(N(C)C)n2)cc1C	740103082	LYTSKUMIOOSIKC-UHFFFAOYSA-N	315.377	1.682	50	20	DDGD	
Cn1ncc2cc(C(=O)NNC(=O)c3ccccc3F)cnc21	747295313	IBPFPXBKDXTZLT-UHFFFAOYSA-N	313.292	1.182	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)Cn2cc(C)cn2)c(C)c1	740921802	DVABEHBMQVMWCV-UHFFFAOYSA-N	315.377	1.068	50	20	DDGD	
O=C(NNC(=O)C1(c2cccnc2)CCCC1)c1ncccn1	841352969	QDWIELKXVQYFQI-UHFFFAOYSA-N	311.345	1.145	50	20	DDGD	
C[C@H]1CO[C@H](C)CN1CCNC(=O)[C@]1(C)C[C@@H]1Br	912394591	UIYRIQQXOOKSLS-SRRSOLGSSA-N	319.243	1.385	50	20	DDGD	
CC(C)NCCCNC(=O)NNC(=O)c1cc2ccccc2o1	841933070	WFNTUIVCPIAFGN-UHFFFAOYSA-N	318.377	1.765	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1ccc(OC)cc1OC	748252098	AZXFHZVQGJGJOT-LBPRGKRZSA-N	324.377	1.596	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)CCn1cccc1	746094905	UVAIHJZPNFFGHY-UHFFFAOYSA-N	317.345	1.113	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1cccc(Cl)c1	842586615	OJOBFYHUFPPZPE-LDYMZIIASA-N	318.782	1.075	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCC(=O)c1cccs1	843637025	AHGFOMZTUFCVBG-NXEZZACHSA-N	310.375	1.283	50	20	DDGD	
COCCn1c(C)cc(C=NNC(=O)[C@@H]2CCO[C@H]2C)c1C	842558720	SNCOTJJGIILLMB-DZGCQCFKSA-N	307.394	1.626	50	20	DDGD	
CC(=O)Nc1cccc(C(C)=NNC(=O)C(=O)NC(C)C)c1	744812531	NPXAUXBMLVBXLJ-UHFFFAOYSA-N	304.350	1.010	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(C2CC2)cnc1Cl	843657767	RUXUNSXAZXBENY-KWQFWETISA-N	323.780	1.798	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1CNC(=O)NNC(=O)c1ncccn1	841588138	ZLZLACJJMWCICU-VXGBXAGGSA-N	305.382	1.637	50	20	DDGD	
CCn1c(NNC(=O)/C=C\SC)nc2ccccc2c1=O	751457975	HBSXMPIAHJFBAT-HJWRWDBZSA-N	304.375	1.736	50	20	DDGD	
Cc1ncc(C(=O)NNc2cc(C(F)(F)F)ccn2)c(N)n1	857515130	FTXJJDBMBUTFDW-UHFFFAOYSA-N	312.255	1.538	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=S)Nc1ccccc1OC	755640041	RRNHUMBPKHYYFO-SNVBAGLBSA-N	311.407	1.685	50	20	DDGD	
CCc1nn(C)c(CC)c1C=NNC(=O)C(=O)NC(CC)CC	755742077	FQBTWUDFEJCSDT-UHFFFAOYSA-N	321.425	1.300	50	20	DDGD	
CC(=O)NNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1	753276832	IKEHMYDUTWUJND-UHFFFAOYSA-N	316.111	1.447	50	20	DDGD	
O=C(CCn1cnc2ccccc21)NNC(=O)NCC1CC1	920860279	YSISDWSAAVQGLQ-UHFFFAOYSA-N	301.350	1.167	50	20	DDGD	
CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@]1(C)C[C@H]1Br	857690271	ZCPMWJGQFFHGGW-DMDPSCGWSA-N	319.243	1.827	50	20	DDGD	
Cc1ncc2n1C[C@H](C(=O)NNc1ccc(Cl)cn1)CC2	856091025	CWLJDOGBYPXCST-SNVBAGLBSA-N	305.769	1.946	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Nc2cnn(C(F)F)c2)cc1	757866066	KEVJOCLXPHMUKH-UHFFFAOYSA-N	320.259	1.616	50	20	DDGD	
CN(C)CC(=O)NN=Cc1ccc(Br)cc1O	853301855	RTUXOUJLMAWLKP-UHFFFAOYSA-N	300.156	1.166	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccccc1Oc1ccccc1	755405541	QXLHJODQYAZKRS-UHFFFAOYSA-N	301.302	1.624	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccnn1CCc1ccccc1	856759643	YIDOAKQDTWROGJ-UHFFFAOYSA-N	302.334	1.517	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cc2c(cc1O)OCO2	920375093	FOSJWOGCFRCJHA-UHFFFAOYSA-N	320.330	1.232	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2cccc(F)n2)C[C@H](C2CC2)O1	852709844	GAKGKTZYZOJOSM-BXKDBHETSA-N	322.340	1.074	50	20	DDGD	
Cc1nnccc1C(=O)NNC(=O)c1cc(-c2ccccc2)on1	752993463	AVOCTBPHDSCFMQ-UHFFFAOYSA-N	323.312	1.515	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1cnn(C[C@@H]2CCCO2)c1	756739519	OOPVTJLOHILOMS-ZDUSSCGKSA-N	321.381	1.405	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N=c2cc[nH]cc2F)c1	759997676	WXEYXMJHPQRTFM-UHFFFAOYSA-N	304.281	1.578	50	20	DDGD	
Cn1nncc1NNC(=O)c1cccc(CN2CCCCC2)c1	857270969	VWQUCXRURBYRKW-UHFFFAOYSA-N	314.393	1.558	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)c1cccc(N(C)C)c1)C1CC1	858158297	DXUYPBQDBISXHU-CQSZACIVSA-N	305.378	1.329	50	20	DDGD	
CC1CC(CNC(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)C1	856961887	WIWBXYIASUEHLF-MOENNCHZSA-N	323.368	1.970	50	20	DDGD	
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@]1(C)C[C@H]1Br	856752155	IHENNYMRKFJRCN-BBBLOLIVSA-N	324.244	1.086	50	20	DDGD	
C=CC[C@H]1CCCN(C(=O)NNC(=O)Cc2cccnc2)C1	852059110	VKORESWLZNXNLR-ZDUSSCGKSA-N	302.378	1.653	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cccc(COC(C)(C)C)c1	933210297	OUGSUCJTUYUVBP-UHFFFAOYSA-N	309.366	1.801	50	20	DDGD	
CCCN(CC)C[C@@H](C)NC(=O)NNc1ncc(Cl)cn1	856907314	SNJOTLQNOUJWEG-SNVBAGLBSA-N	314.821	1.877	50	20	DDGD	
O=C(Cc1ccn(-c2ccccc2)n1)NNC(=O)NCC1CC1	756922195	PVVDLQOQDGRPKC-UHFFFAOYSA-N	313.361	1.155	50	20	DDGD	
C=CCS(=O)(=O)CCNC(=O)/C(C#N)=C\c1ccc(F)cc1	752773804	WNMWGXPEUYZGBN-RAXLEYEMSA-N	322.361	1.450	50	20	DDGD	
COCc1ccccc1/C=C(/C)C=NNC(=O)CS(C)(=O)=O	863186115	OWUKXDBNYAPKRU-GTSKENENSA-N	324.402	1.383	50	20	DDGD	
CCOc1cccc(/C=C/C(=O)NNC(=O)[C@@H]2CCCCO2)c1	861853502	PRZKHKFEZCOESE-FEAKQIBJSA-N	318.373	1.815	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	864471643	GUDVLBWPHQLEER-DLUQRMLASA-N	321.421	1.265	50	20	DDGD	
C[C@H]1CC(=NNC(=O)COc2ccccc2[N+](=O)[O-])CN1C	761805128	MZXVMKBDSBOHHB-JTQLQIEISA-N	306.322	1.170	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1ccc2n[nH]cc2c1	863093110	XWCKPPMNUGWXQG-UHFFFAOYSA-N	308.210	1.995	50	20	DDGD	
O=C(NNC(=O)C1(c2ccc(F)cc2F)CCC1)c1cn[nH]c1	862471080	QHGQZALSORESHH-UHFFFAOYSA-N	320.299	1.571	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cn(C)nc1C(C)(C)C	769571155	ZZAUHDDIUCYAHS-UHFFFAOYSA-N	307.442	1.900	50	20	DDGD	
O=C(CCc1cn[nH]c1)NNC(=O)C12CC3CC(CC(C3)C1)C2	863852119	KQIZJZVOWGSMDJ-UHFFFAOYSA-N	316.405	1.706	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1ccc(CO)c(F)c1	863100553	XCSBMGQRODPJCQ-UHFFFAOYSA-N	316.201	1.750	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	764499551	CNRDDNREHWFLBU-UHFFFAOYSA-N	319.365	1.511	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)cc[nH]1	862509188	GZYFLNCPLMCSTD-CYBMUJFWSA-N	322.409	1.804	50	20	DDGD	
O=C(NN=Cc1nc2ccc(F)cc2s1)N1CCOCC1	761799560	KROMXBMTGBESNI-UHFFFAOYSA-N	308.338	1.811	50	20	DDGD	
Cn1cccc1C(=O)NN=Cc1cnc(C2OCCO2)s1	761785133	DTEXXKXEKUJKTE-UHFFFAOYSA-N	306.347	1.291	50	20	DDGD	
CC[C@@H](Cc1ccccc1)C(=O)NNC(=O)COCCOC	869910425	SCUBQCFWCMHEEC-AWEZNQCLSA-N	308.378	1.066	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NN=c2sc3ccccc3n2C)CCO1	769734607	DHBJDVPRSMEXIB-MNOVXSKESA-N	320.418	1.922	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cc(-c2ccccc2O)[nH]n1	863858292	SHYGBQFKTIAIGK-UHFFFAOYSA-N	314.345	1.734	50	20	DDGD	
Cn1c(=NNC(=O)[C@@H]2C[C@]23CCOC3)sc2ccccc21	763370940	YMZPPCDXHHEJHM-BONVTDFDSA-N	303.387	1.598	50	20	DDGD	
Cc1nnc(CCC(=O)NNC(=O)Cc2ccc(Cl)cc2)o1	873808766	SSUFQUFOGNCINU-UHFFFAOYSA-N	322.752	1.354	50	20	DDGD	
CCOC(=O)c1sc(NC(=O)NN(C)CCOC)cc1C	878516976	MJTOVOAMBXCSMT-UHFFFAOYSA-N	315.395	1.848	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2CSC[C@H]2C)cc1	1117420194	TWOCYMUNFZIODO-SKDRFNHKSA-N	309.391	1.391	50	20	DDGD	
COC(=O)c1cncc(C(=O)NNc2cc(Cl)ccn2)c1	778447798	KJEWCWBHQNRDAT-UHFFFAOYSA-N	306.709	1.674	50	20	DDGD	
CN(C)[C@H]1CCCC[C@H]1NC(=O)NNc1ncncc1Cl	1116688030	HNDAROJHTJPASO-MNOVXSKESA-N	312.805	1.629	50	20	DDGD	
CN1C(=O)CC[C@H]1C(=O)NNc1ccc(C(F)(F)F)cn1	775251560	XRVQMIAVPGGIGO-QMMMGPOBSA-N	302.256	1.164	50	20	DDGD	
NC(=O)c1ccc(NC(=O)NNc2ccccc2[N+](=O)[O-])cn1	775672575	BTSCRFIDTREAQS-UHFFFAOYSA-N	316.277	1.237	50	20	DDGD	
O=C(NNc1cccc(F)c1Cl)N[C@@H]1CCS(=O)(=O)C1	874979662	VEQQAQFQDDPWPY-SSDOTTSWSA-N	321.761	1.292	50	20	DDGD	
CC(CCOCc1ccccc1)=NNC(=O)C(=O)NC1CC1	872338051	SLNNCJSNDVNMBU-UHFFFAOYSA-N	303.362	1.364	50	20	DDGD	
COc1ccccc1C(=O)NN=Cc1cnc([C@@H](C)O)s1	773054394	QBLGEDOMWXDGHF-SECBINFHSA-N	305.359	1.969	50	20	DDGD	
C=CCC[C@@H](NC(=O)NNC(=O)C(=O)OC)c1ccccc1	1116326367	SIFIXNLZHAOLLB-GFCCVEGCSA-N	305.334	1.197	50	20	DDGD	
CC(=O)C1(C(=O)NNC(=O)c2nc3ccccc3s2)CC1	874914577	ZNEQZFFHYRSKET-UHFFFAOYSA-N	303.343	1.427	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc2cccc(C)c2o1	772062821	HEDLRSAHPAEMQA-SNVBAGLBSA-N	318.329	1.844	50	20	DDGD	
COc1cc(C=NNC(=O)c2cnccn2)ccc1[N+](=O)[O-]	770595009	BNOPOMJVCJNKDO-UHFFFAOYSA-N	301.262	1.157	50	20	DDGD	
COc1ccc(F)cc1CCNS(=O)(=O)CCCCl	885680607	YNOJSBFWOWZFET-UHFFFAOYSA-N	309.790	1.925	50	20	DDGD	
CC(C)n1cc(NC(=O)C(=O)NNc2ccc(C#N)cc2)cn1	773692255	BKFFYRMJFSEBFU-UHFFFAOYSA-N	312.333	1.417	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C(C)(Cl)Cl	772235660	IUWPMTWMDKDZQQ-ZETCQYMHSA-N	313.181	1.305	50	20	DDGD	
CS(=O)(=O)Cc1cn(/C(Cl)=C\CBr)nn1	881310541	LREUGADREMJHCX-UQCOIBPSSA-N	314.592	1.255	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)COc1ccc(C)cc1	772865705	CHPLAWWHJUPUHU-UHFFFAOYSA-N	302.334	1.051	50	20	DDGD	
O=C(CCc1cccc(F)c1F)NNC(=O)C1CCOCC1	883062715	OJTHDYISIWVTJB-UHFFFAOYSA-N	312.316	1.471	50	20	DDGD	
O=C(NNC(=O)C1(c2ccccc2F)CC1)C1CCOCC1	883063987	KIBFPZIJBZDEIB-UHFFFAOYSA-N	306.337	1.431	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(C)CC(=O)NCCC1=CCCCC1	887049407	WMGRWZIYHHIIIC-FYWRMAATSA-N	319.405	1.895	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1nc(Br)cs1	779779144	TUSLJPBFIOMJKL-UHFFFAOYSA-N	304.169	1.467	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccccc1SC	771889612	BHJWGIXXFQBCRG-VIFPVBQESA-N	310.375	1.511	50	20	DDGD	
Cc1ccc(C(C)(C)C(=O)NNC(=O)C2CCOCC2)cc1	883066034	HJFJUKRTNKXXLR-UHFFFAOYSA-N	304.390	1.847	50	20	DDGD	
CN(C)Cc1ccnc(NC(=O)NNC(=O)CC(F)(F)F)c1	880600769	VUSOIJYWNUHCHU-UHFFFAOYSA-N	319.287	1.248	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](C(CC)CC)N1CCOCC1	887144709	WRHBQOMYJOLYTD-INIZCTEOSA-N	323.437	1.074	50	20	DDGD	
COc1cccc(NNC(=O)Nc2ccc(C3CC3)nn2)n1	780595187	MDRSJFCTGOJMTB-UHFFFAOYSA-N	300.322	1.906	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cscc1Cl	880977438	WFJZSKVKAIEQSF-RQJHMYQMSA-N	303.771	1.979	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1CCO[C@@H](c2ccccc2)O1	887149055	HYFFPLWKKQIBRO-RHSMWYFYSA-N	316.357	1.442	50	20	DDGD	
CCS[C@@H](C(=O)O[C@@H](C)C(=O)NNC(=O)CC)C(C)C	785817723	CARYCQDLNKOFFQ-GXSJLCMTSA-N	304.412	1.253	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)C1=Cc2cc(F)ccc2OC1	883067272	BPHKPGRSGIBFBN-UHFFFAOYSA-N	320.320	1.176	50	20	DDGD	
CCc1csc(NC(=O)C(=O)NNc2ccc(C#N)cc2)n1	789745390	IPRHJRMHHQZMFW-UHFFFAOYSA-N	315.358	1.659	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2cccnn2)C[C@H](C)C1(F)F	883854120	YFWVBZCQLMOOPE-IUCAKERBSA-N	313.308	1.054	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)NNC(=O)COc2ccc(C#N)cc2)C1	780799610	ISPZORRMRZPKBU-YPMHNXCESA-N	316.361	1.456	50	20	DDGD	
CC(=O)N1CCN(C(=O)[C@H](Br)C(C)(C)C)CC1	781066835	NYUTWLFQSDEBOH-JTQLQIEISA-N	305.216	1.487	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](C)OC[C@H]2CCCCO2)nc1	781527181	BPFAUFGPNWJWBF-WCQYABFASA-N	309.366	1.508	50	20	DDGD	
CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)COc1ccc(C)c(C)c1	899940401	MFIOPKIHOBCVHN-TZMCWYRMSA-N	308.378	1.237	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cnc(OC)nc2)c1	780802642	YTKLNCLGWLZNMH-UHFFFAOYSA-N	302.290	1.029	50	20	DDGD	
COc1ccc([C@@H](NC(C)C)C(=O)NNC(=O)CC(C)C)cc1	895523819	DVDQSNBCJJDXRX-MRXNPFEDSA-N	321.421	1.928	50	20	DDGD	
CSc1c(F)cccc1C(=O)NNc1ccc(C(N)=O)nn1	798111543	KNFXYZFJZIAAKL-UHFFFAOYSA-N	321.337	1.193	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnn(-c2ccccc2OC)c1C	798932187	SVBCWNMVMOWVJP-UHFFFAOYSA-N	317.349	1.153	50	20	DDGD	
CO[C@@]1(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)CCSC1	897692683	AJLRGKYBUWBDTB-HNNXBMFYSA-N	319.386	1.493	50	20	DDGD	
O=C(NNC(=S)Nc1ccc(F)cc1F)c1ncccn1	792791630	JNYBCRYZLDUJLL-UHFFFAOYSA-N	309.301	1.386	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCC(=O)c2cccs2)n1	794084845	WQZYXQJZKMYWRA-UHFFFAOYSA-N	317.370	1.876	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=C1C(=O)OC[C@@H]1C	794871166	VPPCFCXFBXACLX-VIFPVBQESA-N	300.318	1.010	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)cc1OC	799856350	BGWSHSKACBIUSX-ISTVAULSSA-N	322.361	1.278	50	20	DDGD	
C=C(CBr)COC(=O)CCN1C(=O)CCC1=O	795364952	XGGIRFJIYXUQHW-UHFFFAOYSA-N	304.140	1.020	50	20	DDGD	
CSc1ccccc1[C@H](C)NCC(=O)NNC(=O)C1CC1	799341265	ZJHGQZLDCVEQGG-JTQLQIEISA-N	307.419	1.617	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)[C@H]1CCC(F)(F)C1	797610176	IWNQQPYGYPLEKB-VIFPVBQESA-N	316.279	1.787	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	798087344	AAOCNXBLRDHSKF-GZMMTYOYSA-N	315.295	1.946	50	20	DDGD	
COCCCNC(=O)NNC(=O)C[C@@H](CC#N)c1ccccc1	793200585	ATDBUIJLNLSODS-CQSZACIVSA-N	318.377	1.441	50	20	DDGD	
O=C1CCC[C@H](C(=O)NNC(=O)c2cccc3ccccc23)N1	799638831	XFLNXLFJWBJYGU-CQSZACIVSA-N	311.341	1.270	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cnn([C@@H](C)CC)c1C	792269859	WVSRZEKDGJUHEZ-UWVGGRQHSA-N	323.397	1.295	50	20	DDGD	
CNC(=O)CC1CCN(C(=O)NCCSSC)CC1	790880962	QVYADVGTVIDBOG-UHFFFAOYSA-N	305.469	1.555	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccnc(Br)c1	798306641	PIUWTRPLZULBRU-UHFFFAOYSA-N	315.196	1.139	50	20	DDGD	
Cc1cc(NNC(=O)c2c(C)oc3ncnc(O)c23)ncn1	1318565448	ZGCSHWNWXRWYDO-UHFFFAOYSA-N	300.278	1.092	50	20	DDGD	
Cc1ccn(CC(=O)NNC(=O)c2ccccc2Cl)c(=O)c1	1322053820	ANVKNYOJFFDEFQ-UHFFFAOYSA-N	319.748	1.271	50	20	DDGD	
O=S(=O)(c1ccccc1N1CC[C@@H](B(O)O)C1)C(F)(F)F	1329292323	IIXAKCWXNJCGAP-MRVPVSSYSA-N	323.101	1.033	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Nc2ccc(F)nc2)cc1	1320258415	HUCWRVJPCINVBB-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@@H]1CCC[C@@H](F)C1	1326766491	ITRXHWGMSHDIMB-CHWSQXEVSA-N	323.368	1.849	50	20	DDGD	
Cn1ccc(NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCC2)n1	1325502564	ASWWHDLPORSMLZ-LBPRGKRZSA-N	323.397	1.557	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(C(N)=O)nn1)c1ccc(F)cc1F	1322494899	DCIMSXHJGGXCKB-SSDOTTSWSA-N	321.287	1.101	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1c(F)c(F)cc(F)c1F	1322304746	QYXSRWHZKIECHX-UHFFFAOYSA-N	309.288	1.760	50	20	DDGD	
CCCN(NC(=O)CO[C@@H]1CCOC1)C(=O)OC(C)(C)C	1328591667	VLXGQCJDXGBABL-LLVKDONJSA-N	302.371	1.470	50	20	DDGD	
NC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ccccc1Cl	1326131592	BCEQBKFPLBMPAU-MFKMUULPSA-N	324.812	1.802	50	20	DDGD	
O=C(NN=Cc1ccc(Br)cn1)C1CCOCC1	1331359710	FADHVUZIGBDCFE-UHFFFAOYSA-N	312.167	1.721	50	20	DDGD	
CN(C)CCn1cc(NC(=O)NNc2ccc(F)c(F)c2)cn1	1333011156	AONKIEAJGXMZRP-UHFFFAOYSA-N	324.335	1.872	50	20	DDGD	
CC[C@H](CNC(=O)NC[C@@]1(C)C[C@H]1Br)C(=O)O	1340566064	ABNHNIVDQJZEAS-SOCHQFKDSA-N	307.188	1.570	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CC[C@H](OC)C2)c1C	1347283192	MWJPOAPPXPXMGZ-NEPJUHHUSA-N	321.377	1.975	50	20	DDGD	
Cc1ncc(C(=O)OC[C@]2(C)C[C@H]2Br)c(N)n1	1345219800	KQIKVRQLOFMJEA-KCJUWKMLSA-N	300.156	1.698	50	20	DDGD	
CC[C@H](C)[C@H](CNC(=O)NNc1nncc(N)c1Cl)OC	1261285140	RZDZQWNUBGNPNS-CBAPKCEASA-N	316.793	1.399	50	20	DDGD	
CCCN1CCCC[C@@H]1C(=O)NNC(=O)OCC(F)(F)F	1347864921	FXTNFTBHUMPWAV-SECBINFHSA-N	311.304	1.571	50	20	DDGD	
COc1cc(F)cc(NC(=O)NNC(=O)C2CCOCC2)c1	1349675410	VZGBQJMJRRCOSV-UHFFFAOYSA-N	311.313	1.414	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CCCCN1Cc1cccc(F)c1	1520164026	ICNLVIQWKKYGMZ-CQSZACIVSA-N	323.368	1.910	50	20	DDGD	
Cn1cc(C(=O)C(=O)NNc2ccc(C(=O)O)c(Cl)c2)cn1	1608097361	YHIPTMJUSHVJEB-UHFFFAOYSA-N	322.708	1.098	50	20	DDGD	
Cc1c(NNC(=O)NCc2ccn(C)c2)cccc1C(=O)O	1607552727	SOIGABXLSRQYEY-UHFFFAOYSA-N	302.334	1.858	50	20	DDGD	
Cc1ccc(NNC(=O)c2ccn(CC(F)F)n2)cc1C(=O)O	1600461588	MKUXIQVPYNYHQA-UHFFFAOYSA-N	324.287	1.912	50	20	DDGD	
CCCNC(=O)CCC(=O)NNc1cccc(F)c1C(=O)O	1609977747	BOMHTDJPAGCZSG-UHFFFAOYSA-N	311.313	1.273	50	20	DDGD	
O=C(O)[C@@]1(C(=O)NNc2nc3cccnc3s2)CC=CCC1	1605936009	XBEANUQFFLMBAB-AWEZNQCLSA-N	318.358	1.946	50	20	DDGD	
O=C(O)CC1(CC(=O)NNC(=O)c2cccc(F)n2)CCCC1	1601913472	IXFPZSPMFAEUAA-UHFFFAOYSA-N	323.324	1.407	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)c1cnc(C(=O)O)cn1	1605173737	PQHPAMHHHGAPHX-UHFFFAOYSA-N	306.709	1.894	50	20	DDGD	
Cn1c(=NNC(=O)[C@@H]2C[C@H](N)[C@H]3C[C@@H]32)sc2ccccc21	1553396528	DDRUMKZEKVEYCJ-MMWGEVLESA-N	302.403	1.155	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1ccc(F)c(O)c1	1550697843	WKZRKDGVSTYLHN-IUODEOHRSA-N	321.352	1.235	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(N)cn1	1576286187	LLLBTPXCQLPHAM-SECBINFHSA-N	318.308	1.031	50	20	DDGD	
CN[C@H](CC(C)(C)C)C(=O)NNC(=O)Cc1ccccc1C	1578589711	GNXMVMIHIHQXIE-CQSZACIVSA-N	305.422	1.709	50	20	DDGD	
CNCc1ccc(NC(=O)NNC(=O)Cc2cccnc2)cc1	1578738575	UJGHUJVDAYXNLX-UHFFFAOYSA-N	313.361	1.196	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)OCC(F)(F)F)C1CCNCC1	1575927393	XBGKSEPXWTWBNY-MRVPVSSYSA-N	311.304	1.332	50	20	DDGD	
CCOCCC(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843367315	UFTUBKXIWOXLTD-NSHDSACASA-N	306.765	1.151	50	20	DDGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)[C@]12CNC[C@@H]1C2	1580739944	STUJIIXHQOHWQT-QPUJVOFHSA-N	301.268	1.638	50	20	DDGD	
C[C@@H]1[C@@H](C(=O)O)CCN1S(=O)(=O)c1ccc(CCl)cc1	1594170422	DJAOMUUJCVJMHZ-SKDRFNHKSA-N	317.794	1.909	50	20	DDGD	
CCCNC(=O)/C(C#N)=C/c1c(F)cc(-c2nn[nH]n2)cc1F	1590634926	QFPAOUJOXYQIGJ-RUDMXATFSA-N	318.287	1.578	50	20	DDGD	
COCc1ccc(C(=O)NNc2ncccc2C(=O)O)cc1	1594028397	IYBJWWUQGAFGID-UHFFFAOYSA-N	301.302	1.683	50	20	DDGD	
COc1cccc(NCC(=O)NN=C2CCC[C@@H](C(=O)O)C2)c1	1599679839	LGFVTCNOSJTEQS-LLVKDONJSA-N	319.361	1.854	50	20	DDGD	
COc1cc(C=NNC(=O)OC(C)C)ccc1-c1nn[nH]n1	1591522690	JZUNITNDXZIOTN-UHFFFAOYSA-N	304.310	1.344	50	20	DDGD	
COCn1ccc(C(=O)NNc2cccc(C(=O)O)c2F)n1	1599309347	WXLQKSWDNOCIQB-UHFFFAOYSA-N	308.269	1.081	50	20	DDGD	
C[C@H](CC(=O)O)CC(=O)NNc1ncc(Br)cn1	1592392024	UWLGYGFCAHAHQZ-LURJTMIESA-N	317.143	1.183	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@@](C)(C(=O)O)c2ccccc2)cn1	1594535747	AHTFMSQEPKYRLV-MSGBMKDASA-N	324.340	1.443	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1c(F)ccc(C(=O)O)c1F	1776117651	DIOJKJRCGFBCQH-SOFGYWHQSA-N	310.256	1.333	50	20	DDGD	
CC(=NNC(=O)c1nc[nH]c2ncnc1-2)c1cccc(C(=O)O)c1	1776104855	BVLKMZVPDCHJQI-UHFFFAOYSA-N	324.300	1.157	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cc(Cl)ccc2O)cnn1C	11838081	SQBPZIUWMCYKIA-UHFFFAOYSA-N	308.725	1.162	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)nc1	162678949	GNPUOAOKRGSGNK-UHFFFAOYSA-N	300.274	1.373	50	20	DDGD	
CS[C@H](C)CC(=O)NNC(=S)NCCc1cccs1	163135396	WWDUQEZALXNZKN-SECBINFHSA-N	317.505	1.928	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCSc1ccccn1	151561194	XZCOSXNICKUFGF-UHFFFAOYSA-N	304.375	1.364	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[nH]n1	153008511	WJDBIQJPOGTWJY-UHFFFAOYSA-N	323.696	1.355	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1	6267706	NHPPPXXVCKELAE-UHFFFAOYSA-N	323.352	1.961	50	20	DDGD	
O=C(NCCNC(=O)C1CC1)NNc1cc(F)c(F)c(F)c1	175185195	QNLUVCNFQVYZMU-UHFFFAOYSA-N	316.283	1.256	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCCSC(F)(F)F	177406735	IJNSLFVQHTZUGB-UHFFFAOYSA-N	322.312	1.208	50	20	DDGD	
CCc1noc(C)c1C(=O)NNC(=O)CCOc1ccccc1	61479015	RNRMSKHPESAGQC-UHFFFAOYSA-N	317.345	1.776	50	20	DDGD	
Cc1nn(C)cc1[C@H](C)NC(=O)NNC(=O)c1ccccc1O	172600990	UQJLARLEPPSQBI-VIFPVBQESA-N	317.349	1.139	50	20	DDGD	
CC(=O)c1cccc(O[C@@H](C)C(=O)NNc2cnccn2)c1	114878330	RPNDZTJIMQCFCJ-NSHDSACASA-N	300.318	1.590	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@@H]1COc2ccccc21	113460666	YVERBGCTCVHQOC-MRVPVSSYSA-N	303.240	1.055	50	20	DDGD	
O=C(CCN1CCCC1=O)NNc1cc(F)c(F)cc1F	115718691	GWUBUMRJBLQUMZ-UHFFFAOYSA-N	301.268	1.560	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(C=O)[nH]2)c1	174943151	QLGXEJRZTVAHON-UHFFFAOYSA-N	315.329	1.284	50	20	DDGD	
COCCCNC(=O)NNC(=O)C1(c2cc(C)cc(C)c2)CC1	68461223	USNQMVJLLXAGDB-UHFFFAOYSA-N	319.405	1.702	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccc(NC(=O)CC)c1	64425111	WSKNZHACQPZWMF-UHFFFAOYSA-N	306.366	1.779	50	20	DDGD	
CC[C@H](Oc1ccccc1C)C(=O)NNC(=O)c1cnn(C)c1	176761975	MVYKKNXABSMZRX-ZDUSSCGKSA-N	316.361	1.347	50	20	DDGD	
O=C(NCCc1cccc(O)c1)NNc1cncc(Cl)n1	171125544	MIWOLKKMTRPYAQ-UHFFFAOYSA-N	307.741	1.704	50	20	DDGD	
Cc1ccc([C@H]2COCCN2C(=O)NNC(=O)C(C)(C)C)o1	116957925	VMLPBIIPDCAYNA-LLVKDONJSA-N	309.366	1.748	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccccc1NC(=O)C(C)(C)C	112881994	IVJSZMBIHOJWBI-UHFFFAOYSA-N	306.366	1.635	50	20	DDGD	
C[C@@H]1CC[C@@H](CCC(=O)NNc2nc(-c3ccncc3)no2)O1	175895145	QQZSFPWLBPSNIE-PWSUYJOCSA-N	317.349	1.922	50	20	DDGD	
C[C@H]1CCCC[C@@H]1CNC(=O)NNC(=O)Cc1ccncc1	176271063	YXXMAASYWAZBIQ-GXTWGEPZSA-N	304.394	1.781	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)N[C@H]1CCc2[nH]ncc2C1	178216180	WUQJUGNPMTZJDD-JTQLQIEISA-N	316.321	1.502	50	20	DDGD	
CN(C)C(=O)CCNC(=O)NNc1ccc(OC(F)F)cc1	170683085	HOWZMBQOSXXTHT-UHFFFAOYSA-N	316.308	1.392	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cccc(Cl)c2F)nn1	123783903	UZKGEHGTCNASMK-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(OCC)c([N+](=O)[O-])c1	64426141	PCNKCVFBWINVPC-UHFFFAOYSA-N	324.337	1.738	50	20	DDGD	
O=C(CCCO)NNC=C1C(=O)CC2(CCCCC2)CC1=O	60863865	YMWKGUPGBWDPOE-UHFFFAOYSA-N	308.378	1.146	50	20	DDGD	
COc1ncccc1C(=O)NNc1ccc(C(F)(F)F)nn1	123912099	WFFUTLTWPJNFHU-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
CCCOc1cccc(CC(=O)NNc2nccn(C)c2=O)c1	129585565	DPNVACMYKSHGDX-UHFFFAOYSA-N	316.361	1.255	50	20	DDGD	
C[C@H](Sc1nc2ccccc2s1)C(=O)NN(C)C(N)=O	182654720	APHNMRQDGPDXRA-ZETCQYMHSA-N	310.404	1.819	50	20	DDGD	
CC(C)C[C@H](CCO)CNC(=O)NNc1ccc(Cl)nn1	120916877	BQSNXZKERJNOIN-JTQLQIEISA-N	315.805	1.801	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1c[nH]nc1-c1ccccc1F	123038743	QYTKHIDILZWVTR-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
Cc1ccnc(NC(=O)NNC(=O)Cn2nc(C)cc2C)c1	184259967	NZFVACPADOOKMY-UHFFFAOYSA-N	302.338	1.056	50	20	DDGD	
Cc1cc(C(=O)NNc2nnc(-c3ccccn3)s2)n(C)n1	188225545	SJCUCTHOZOZQBI-UHFFFAOYSA-N	315.362	1.399	50	20	DDGD	
O=C(C[C@H]1COC(=O)C1)NNc1nc(-c2ccccc2)no1	123177471	JZEGRHSJPJKQJN-SECBINFHSA-N	302.290	1.133	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NC[C@@H]1CCCS1	125522827	MRRYNYBORAAXKC-ZDUSSCGKSA-N	307.419	1.845	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)C[S@](C)=O)cc1	181675933	QKYPWPUVNPXVHX-MSBGHBENSA-N	320.414	1.875	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1ccc(-n2ccnn2)cc1	185210181	JBSYTTAMFPMUHR-UHFFFAOYSA-N	322.328	1.349	50	20	DDGD	
CCOC1CC(CC(=O)NNC(=O)CNc2ccc(C)cc2)C1	188126499	AGSCSPLEFJSCDJ-UHFFFAOYSA-N	319.405	1.760	50	20	DDGD	
COc1cccc(NNC(=O)Cc2ccc([N+](=O)[O-])cc2)n1	183034671	ADQCCADQKWZEEC-UHFFFAOYSA-N	302.290	1.684	50	20	DDGD	
Cc1ccc(-n2cc(C(=O)NNc3ccnc(F)c3)nn2)cc1	182415572	UOJYVGWZXNOZDO-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
CCc1cccc(NC(=O)C(=O)NNC(=O)c2ccccc2)c1	181984676	BDHINVJLVVUQSK-UHFFFAOYSA-N	311.341	1.649	50	20	DDGD	
COC(=O)[C@H](O)C1CCN(C[C@H](C)CBr)CC1	134037893	FROLZHJTOTUCQA-MWLCHTKSSA-N	308.216	1.263	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)c1cnc(O)c([N+](=O)[O-])c1	193553897	VNLFJPDVQXSPNS-UHFFFAOYSA-N	310.216	1.731	50	20	DDGD	
Cc1cc([C@@H](C)NC(=O)NNC(=O)C(=O)NC2CC2)c(C)s1	46602230	AUAUYVIKBTYFRH-MRVPVSSYSA-N	324.406	1.035	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccn(-c2cccc(F)c2)n1	130173879	ZUEORLWUBDARBZ-UHFFFAOYSA-N	304.325	1.819	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)cc1	193783699	QAXDTMJJESNBOP-QWHCGFSZSA-N	305.378	1.460	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccccc1O)c1cccnc1	43787596	LUGCAPLQEIGGGZ-SNVBAGLBSA-N	300.318	1.492	50	20	DDGD	
Cn1cc(CCC(=O)NNC(=O)c2ccncc2)c2ccccc21	132618726	FIWBTXXPXNLDCS-UHFFFAOYSA-N	322.368	1.967	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNC(=O)c1ccccc1	86964256	KYTSISIAVLVPDJ-UHFFFAOYSA-N	301.346	1.803	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccnn1CC)c1ccccc1	131198204	ZLZUJSWGDPLEBS-CYBMUJFWSA-N	300.362	1.858	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccc(F)cc1)Cc1cscn1	194412380	RVBYYVXDSMFMAN-UHFFFAOYSA-N	322.365	1.175	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccnc2)nn1C(C)(C)C	44846209	QACPVRGGOMAVJX-UHFFFAOYSA-N	301.350	1.416	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)c1cccn1C)c1ccccc1	194316297	COSRIKAPUFKNAL-AWEZNQCLSA-N	301.346	1.564	50	20	DDGD	
Cc1ocnc1CNC(=O)NNC(=O)c1cccc(N(C)C)c1	92522425	BASSIRHGLPVGPP-UHFFFAOYSA-N	317.349	1.193	50	20	DDGD	
CCCC[C@@H](NC(N)=O)C(=O)NNc1cc(C#N)cc(Cl)n1	92455110	NJKDTKBLKALBQA-SECBINFHSA-N	324.772	1.277	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccc(-c2nccn2C)c1	92758733	AMVXNKIMGLADJD-UHFFFAOYSA-N	303.322	1.870	50	20	DDGD	
C[C@@H](CCCO)NS(=O)(=O)c1ccc(CCCl)cc1	94947124	OIBNENRCPMGZBB-NSHDSACASA-N	305.827	1.907	50	20	DDGD	
C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)NNc1ncccn1	249797611	XVXJNFTVPLMRIP-UPJWGTAASA-N	306.414	1.469	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)/C=C\c2cncc(F)c2)cc1	255779169	ZIALFZBRXGBAGM-UTCJRWHESA-N	310.288	1.567	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1c[nH]nc1-c1ccncc1	264043658	QPIXVJURTZTHCB-UHFFFAOYSA-N	301.350	1.669	50	20	DDGD	
O=C(COC1CCCC1)NNc1nc(O)c2ccccc2n1	268251768	XASGMZAHZXQRFC-UHFFFAOYSA-N	302.334	1.738	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1C[C@@]12CCOC2	363836285	OUXUKGOQUAZFTC-XMZIXOGTSA-N	322.336	1.167	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)[C@H]1CCCCS1	272921882	FWQRRTRUQINRLL-GFCCVEGCSA-N	318.402	1.310	50	20	DDGD	
COc1ccc(F)c2[nH]c(C(=O)NNC(=O)NC(C)C)cc12	279724940	VDBZXICGMDDHLX-UHFFFAOYSA-N	308.313	1.668	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cn(CCOC)c2ccccc12	272663247	IFWKHFQLOFQBJH-UHFFFAOYSA-N	318.377	1.594	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cc([C@H]2CCCO2)nn1C	279023637	PPNUIUBQHDQWFO-GXSJLCMTSA-N	309.370	1.470	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(N2CCC(C)=N2)cc1	271356275	MLPCFGMJQNJQTM-UHFFFAOYSA-N	303.366	1.579	50	20	DDGD	
Cc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)OC(C)(C)C	274255043	VKKPTXIHVNZRIV-UHFFFAOYSA-N	318.333	1.361	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)C1SCCS1	270834027	IEBQFZRZVFCYEB-UHFFFAOYSA-N	308.388	1.585	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1cc(C)ccc1C	272404419	XYDSKWHTNCLZPI-GFCCVEGCSA-N	309.366	1.508	50	20	DDGD	
CC(C)c1scnc1NC(=O)NNC(=O)c1cnn(C)c1	289701576	NUBBGUHIXYHBIC-UHFFFAOYSA-N	308.367	1.467	50	20	DDGD	
COCCn1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2C)n1	288392047	AILIXWANFZWUFL-UHFFFAOYSA-N	319.321	1.503	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cc3n(n2)CCCC3)n1	287408754	QUBSGLQFWSMTPE-UHFFFAOYSA-N	303.326	1.167	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNC(=O)CNc1ccc(C)cc1C	289481223	YBUGKAAKMGQYQA-INIZCTEOSA-N	305.378	1.190	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ccc(F)cc2F)CCC1	281135680	JCEUVTNQGUKKNU-UHFFFAOYSA-N	304.318	1.375	50	20	DDGD	
O=C(NNc1ccc(F)cc1)C1(n2cccn2)CCNCC1	285400467	FZYZNMAYRGPHBJ-UHFFFAOYSA-N	303.341	1.244	50	20	DDGD	
CO[C@@H](CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C)C1CC1	294493278	JNUFERLPMSKIGY-CQMBDMNQSA-N	312.373	1.653	50	20	DDGD	
O=C(C[C@H]1CCc2ccccc21)NNC(=O)N=c1cc[nH]cc1	802036343	VFAXIUBPJWWYSX-CYBMUJFWSA-N	310.357	1.776	50	20	DDGD	
CCC[C@]1(CO)CCN([C@@H](C)C(=O)NNC(=O)CC(C)C)C1	808796339	IFOASNMPUOJKQT-BBRMVZONSA-N	313.442	1.053	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2ccc(Cl)nn2)cn1C1CC1	806881785	JLWYMDAJNSBQDN-UHFFFAOYSA-N	319.752	1.692	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)ns1	802097073	NCNLZSLILFTQKJ-UHFFFAOYSA-N	320.330	1.647	50	20	DDGD	
Cn1nncc1C(=O)COC(=O)[C@H](Br)C(C)(C)C	803438655	YNNPDKPJLZMVQG-VIFPVBQESA-N	318.171	1.351	50	20	DDGD	
O=C(NNC(=O)c1cncc(F)c1)Nc1ccc2c(c1)OCO2	802101443	MVCACYBASJIKPF-UHFFFAOYSA-N	318.264	1.416	50	20	DDGD	
NC(=O)c1cccc(CCNC(=O)NNc2ncccc2F)c1	805052515	LXBFNPHCLRFBGL-UHFFFAOYSA-N	317.324	1.188	50	20	DDGD	
CC1(OCC(=O)NNc2ccc(-n3ccnc3)nn2)CCC1	804958766	MLHLHEQMOMRZLQ-UHFFFAOYSA-N	302.338	1.065	50	20	DDGD	
COc1ccc2c(c1)C[C@H](C(=O)NNc1ccncn1)CO2	295452029	LGIRWZVVOHDVRC-NSHDSACASA-N	300.318	1.180	50	20	DDGD	
CN(C)c1ccc(NC(=O)C(=O)NNc2ncccc2F)cc1	807301608	DOYKDEYWIWRENA-UHFFFAOYSA-N	317.324	1.369	50	20	DDGD	
COCCN(C)NC(=O)[C@@H](C)Oc1ccc(CCC(C)=O)cc1	293570481	IYZOJIKTNYDXBO-CQSZACIVSA-N	322.405	1.585	50	20	DDGD	
CC(C)(C)OC(=O)CCC(=O)NNc1ncc(F)cc1F	297030191	TWAUVXXDHVNKTF-UHFFFAOYSA-N	301.293	1.925	50	20	DDGD	
C=CC(C)(C)C(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1	294488390	DUGFDDDAJUBRHG-UHFFFAOYSA-N	318.381	1.942	50	20	DDGD	
CC(C)(C)Oc1ccc(C(=O)NNC(=O)c2ccncc2)nc1	292411002	YOTYSOQXOWUJQY-UHFFFAOYSA-N	314.345	1.729	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNC(=O)c1ccc(C)cc1O	290415200	QLBMPMVGTYDYAC-SNVBAGLBSA-N	308.334	1.051	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cc(F)cc2[nH]c(S)nc12	298799512	XHTOQEVSTFUVQI-UHFFFAOYSA-N	310.354	1.798	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=C2CCC(C(=O)O)CC2)cc1	814722130	LBKDSSAYARIBBK-UHFFFAOYSA-N	315.329	1.684	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@@H](CO)CN1CCCC1	819836550	CHUBBHMLVGFHRG-MNOVXSKESA-N	321.259	1.369	50	20	DDGD	
Cc1cc(Cl)cc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)c1	814835132	IMUBSZFHRMJTTF-VIFPVBQESA-N	317.798	1.036	50	20	DDGD	
Cc1nn(C)c2cc(NC(=O)C(=O)NNc3ccccc3)ccc12	812977026	RVGVNUWWABEIIK-UHFFFAOYSA-N	323.356	1.964	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NNc2nccnc2Cl)C1	816925963	FKRLHKDABKFSBW-IONNQARKSA-N	306.757	1.662	50	20	DDGD	
CC(C)(CCNC(=O)NNc1cccc([N+](=O)[O-])c1)C(=O)O	818625301	XWNALOKUYCYUBW-UHFFFAOYSA-N	310.310	1.722	50	20	DDGD	
N#Cc1cccc(C(=O)NNc2ccc(C(F)(F)F)nn2)n1	810726871	GVWMKLUNPJPHOK-UHFFFAOYSA-N	308.223	1.519	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1ccc2oc(S)nc2c1	816823835	HYAYXIYXPFODFH-UHFFFAOYSA-N	302.315	1.519	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)N=c2cc[nH]cc2)C[C@H]1C	814999980	CWLJDRYUQWHQQG-BXUZGUMPSA-N	318.377	1.980	50	20	DDGD	
CCc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)c1ccc[nH]1	810316276	VYEBIPIXTSPZPA-UHFFFAOYSA-N	317.305	1.952	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2ccc(C#N)cn2)ccc1C	816687746	MUSSFSAWJQCHGW-UHFFFAOYSA-N	310.313	1.805	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)N[C@H]1CCc2c[nH]nc2C1	814313142	UIGJEFSDEXMVFD-VIFPVBQESA-N	306.757	1.642	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C(C)C)cn1	811263004	ANDGPSWSMRLRPQ-JTQLQIEISA-N	307.350	1.308	50	20	DDGD	
O=C(COC(=O)C1(F)CCCCC1)NNC(=O)c1ccccc1	811249060	DECRDTIFQYZULU-UHFFFAOYSA-N	322.336	1.663	50	20	DDGD	
O=Cc1c[nH]c(C(=O)NNC(=O)c2cccc3ncccc23)c1	815489773	DENYADITBZLUBV-UHFFFAOYSA-N	308.297	1.450	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=C2CCN(C(N)=O)CC2)c1	812397135	AGINGXIDWPGDQC-UHFFFAOYSA-N	303.366	1.013	50	20	DDGD	
COc1ccccc1C(C)(C)C(=O)NNC(=O)c1ccnnc1	817693598	NLYBAJXWAGYWCJ-UHFFFAOYSA-N	314.345	1.224	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)OCO2	729297184	YFTYMTLBDDDBNF-GFCCVEGCSA-N	319.361	1.051	50	20	DDGD	
COc1ccc(CCCC(=O)NN(C)[C@@H](C)CO)c(OC)c1	823940541	YZTYKEQYIZUMDA-LBPRGKRZSA-N	310.394	1.370	50	20	DDGD	
Cc1noc(CCCOC(=O)/C(C#N)=C\c2cnn(C)c2)n1	829237263	VHWFMJKXLUHGPQ-SDQBBNPISA-N	301.306	1.195	50	20	DDGD	
Cc1ccc(-c2cnc(CCC(=O)NN(C)[C@H](C)CO)o2)cc1	823983447	UQFGEEHDPZJFFW-CYBMUJFWSA-N	317.389	1.926	50	20	DDGD	
CN(C)CCc1ccc(C(=O)NNC(=O)OC(C)(C)C)cc1	497042159	AGORCVILZAXDIC-UHFFFAOYSA-N	307.394	1.960	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CCCN2c2ccccc2)nc(N)n1	828371307	HZEDXKLUTFUQMJ-ZDUSSCGKSA-N	312.377	1.479	50	20	DDGD	
Cc1ccc([C@@H](C)NCC(=O)NNC(=O)C(C)C)cc1[N+](=O)[O-]	828704952	VWMURHCERRLDAF-LLVKDONJSA-N	322.365	1.357	50	20	DDGD	
CCn1cc(CNC(=O)NNc2cccc([N+](=O)[O-])c2)nn1	821733103	VOSMCJVZYNYPDQ-UHFFFAOYSA-N	305.298	1.033	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1nccnc1C(C)C)C(C)C	497016220	LDAWHFXDTRLGDC-NSHDSACASA-N	309.370	1.424	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCC(C)(C)CN2CCCC2)cn1	491009792	KVDLAHUCKFTWNE-NVNXTCNLSA-N	315.421	1.565	50	20	DDGD	
CC[C@H]1CCCN1CC(=O)NNC(=O)Cc1nc(C)cs1	727833602	WBQYVMPJNUPOJE-NSHDSACASA-N	310.423	1.016	50	20	DDGD	
O=C(C[C@@H]1COCCN1S(=O)(=O)CCl)c1cccs1	820795688	MXBACQFPRXNAJR-SECBINFHSA-N	323.823	1.548	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc3c([nH]2)CCCC3)c(O)c1	825498557	KZLMCADCAUMZBD-UHFFFAOYSA-N	313.357	1.982	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1oc(C(C)C)nc1C#N)C(C)(C)C	822859569	VVFYBUZCDIXXOQ-LLVKDONJSA-N	321.381	1.664	50	20	DDGD	
CCCN(NC(=O)[C@@H]1CCCS1(=O)=O)C(=O)OC(C)(C)C	496240639	XQKDYSPYIWMNML-JTQLQIEISA-N	320.411	1.242	50	20	DDGD	
Cc1noc2ncc(C(=O)NNC(=O)c3cccc(C#N)c3)cc12	728828041	HQRZVOOQCYSCJW-UHFFFAOYSA-N	321.296	1.478	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C	823913242	QPCAAJROAWNOGA-GHMZBOCLSA-N	302.415	1.334	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc(-c2ccco2)on1	822065268	AXSJKFFHQHDFOF-UHFFFAOYSA-N	300.274	1.348	50	20	DDGD	
CC(C)Cc1ncc(CNCc2cccc(B(O)O)c2)s1	585030471	SZFXKCMEJRMOIU-UHFFFAOYSA-N	304.224	1.311	50	20	DDGD	
O=C(NN=C1CCCC[C@@H]1N1CCCCCC1)c1ncon1	901289239	CXBBJWRSOLPOBF-ZDUSSCGKSA-N	305.382	1.974	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(CCc2ccncc2)CC1	825100209	YJCYFPHFJRERPS-PEZBUJJGSA-N	314.389	1.212	50	20	DDGD	
CC(C)(C)/C=C\C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	824077356	ATUPZMZGTFKLPL-PLNGDYQASA-N	321.772	1.961	50	20	DDGD	
C[C@@H](CNCc1ccccc1B(O)O)Sc1ccccc1	585026374	FQGDLMBIOPOVGD-ZDUSSCGKSA-N	301.220	1.637	50	20	DDGD	
C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)c2ccc(B(O)O)cc2)o1	584926899	GBSUGRZFYOTQQY-IAQYHMDHSA-N	313.162	1.355	50	20	DDGD	
CC(C)(C=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)CCC#N	824152735	LERKNEWOHKOFKG-UHFFFAOYSA-N	311.349	1.912	50	20	DDGD	
Cc1nc2n(n1)C[C@H](NC(=O)[C@@]1(C)C[C@H]1Br)CC2	906522657	KHIBKBJHYWKVEC-LNLATYFQSA-N	313.199	1.191	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc2nccn2c1	826448852	OOFDOBZIGPBKTI-UHFFFAOYSA-N	320.316	1.271	50	20	DDGD	
CC(C)c1ccc(NNC(=O)C2CN(S(C)(=O)=O)C2)cc1	909359184	IFASZEHANAKKBG-UHFFFAOYSA-N	311.407	1.145	50	20	DDGD	
CCOc1ccc(CCCC(=O)NNC(=O)NC)cc1OCC	900352738	JLYWQZQBJFEFOR-UHFFFAOYSA-N	323.393	1.767	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NOCC2CCC2)cc1	824105698	BIUFZVXJOFNYKQ-UHFFFAOYSA-N	308.338	1.763	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)C1CCC1)NC(=O)c1ccccc1	732144198	NXYKCWXVYSPBDB-NSHDSACASA-N	303.362	1.143	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCC2(CC#N)CC2)cc(C#N)n1C	491134502	RUAYMLJMYITUPG-VGOFMYFVSA-N	307.357	1.922	50	20	DDGD	
COc1cccc(C=NNC(=O)CNC(=O)OC(C)(C)C)n1	495857673	WNHZGWYDLMIDOB-UHFFFAOYSA-N	308.338	1.065	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)C1CCC1)N1C[C@@H](C)O[C@H](C)C1	732142248	SOVLWMPBMRPRQE-YRGRVCCFSA-N	311.426	1.068	50	20	DDGD	
COCCOC1CN(C(=O)/C(C#N)=C/c2ccc(F)cc2)C1	490847935	YQONPZXGOBZYOI-MDWZMJQESA-N	304.321	1.606	50	20	DDGD	
C[C@@]1(C(=O)NCC2(N3CCOCC3)CC2)C[C@@H]1Br	907758343	GOOJBGGQWHFMNU-CMPLNLGQSA-N	317.227	1.141	50	20	DDGD	
COc1ccc(SCC(=O)NNC(=O)c2c[nH]nc2C)cc1	732083013	TXYFUMOTSFVESZ-UHFFFAOYSA-N	320.374	1.280	50	20	DDGD	
O=C(C[C@@H]1CCC(=O)N1)NNc1ccccc1Br	830771809	SKWUURNJNPNDER-QMMMGPOBSA-N	312.167	1.561	50	20	DDGD	
COc1ccccc1C(C)(C)CNCc1ccccc1B(O)O	585021658	YJSQGTKKTWWMMG-UHFFFAOYSA-N	313.206	1.442	50	20	DDGD	
OB(O)[C@@H]1CCN(c2nc(-c3ccccn3)nc3c2CCC3)C1	585072523	BYNSWCUMGAKJRU-LLVKDONJSA-N	310.166	1.080	50	20	DDGD	
CCn1ccnc1C(C)=NNC(=O)CNc1ccccc1F	834920958	QAJSFRAFQKPGKQ-UHFFFAOYSA-N	303.341	1.994	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(Br)co1	837366923	GGXRGGLLXTVVDH-UHFFFAOYSA-N	304.144	1.786	50	20	DDGD	
CC(C)n1ncc(NC(=O)c2cccc(B(O)O)c2)c1C1CC1	584975957	HCRUYYVPIFODJC-UHFFFAOYSA-N	313.166	1.274	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)C1=NN(CCO)C(=O)CC1	836934442	YFKHIDCBMKIPJF-UHFFFAOYSA-N	324.768	1.062	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@@H]1CCC[C@H](C(=O)O)C1	833118844	QFNKQOLZGORFNP-NEPJUHHUSA-N	322.336	1.407	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1nc2c(s1)CCC2	831117395	UUWIUMLOGHMJOZ-JGVFFNPUSA-N	310.379	1.210	50	20	DDGD	
C=C(C)CCNC(=O)NNC(=O)COc1ccccc1C#N	838660780	OVQRKGVCDNBZRN-UHFFFAOYSA-N	302.334	1.234	50	20	DDGD	
Cc1cc(C(=O)CCC(=O)N2CC[C@H](B(O)O)C2)c(C)s1	585076522	XOKUEOWWIKQCCJ-NSHDSACASA-N	309.196	1.403	50	20	DDGD	
O=C(NCCCCc1ccccc1)NNC(=O)[C@@H]1CCCCO1	836190735	DAIYJOWMRQHAOI-HNNXBMFYSA-N	319.405	1.909	50	20	DDGD	
Cc1ccc(NNC(=O)NCCS(C)(=O)=O)c(Cl)c1	836365544	FTAORBBDNDJHMT-UHFFFAOYSA-N	305.787	1.319	50	20	DDGD	
CCN1C[C@@H](NC(=O)NNc2cc(F)c(F)c(F)c2)CC1=O	838672689	GGRCDEHJIWOOSW-QMMMGPOBSA-N	316.283	1.351	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C#CC2CC2)cc1	837310708	PHORHEZFDRNXIH-LBPRGKRZSA-N	316.357	1.413	50	20	DDGD	
COC(=O)c1cc(NC(=O)[C@@]2(C)C[C@@H]2Br)nn1C	913024044	QXWBLHVCZAGMLB-CPCISQLKSA-N	316.155	1.319	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)COCC1CCCC1	836543586	TWLWQJCQTBFKPK-UHFFFAOYSA-N	320.389	1.810	50	20	DDGD	
Cc1ncc2c(n1)CC[C@H](NC(=O)NNC(=O)C(C)(C)C)C2	916313994	KACVBRCNTAQGML-NSHDSACASA-N	305.382	1.019	50	20	DDGD	
CCCN(CCC)C(=O)CCCC(=O)NNC(=O)NC1CC1	732754549	FUSNRPLREOKYOQ-UHFFFAOYSA-N	312.414	1.298	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NNC(=O)COc1cc(C)cc(C)c1	916093946	AJNLZMJXPFUHOZ-KBPBESRZSA-N	306.362	1.255	50	20	DDGD	
O=C(COC(=O)C[C@@H]1CC[C@H]2C[C@H]12)NNC(=O)c1ccccc1	838140356	ZPKINMXADVTQND-IHRRRGAJSA-N	316.357	1.427	50	20	DDGD	
CN1C(=O)CCC[C@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	911315220	KBFOYRBHFURKTO-QMMMGPOBSA-N	317.176	1.842	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)CCc1nc[nH]n1	748751352	VBJIVGFZKKMCPR-UHFFFAOYSA-N	324.182	1.952	50	20	DDGD	
CNC(=O)NNC(=O)c1cnc2c(c1)c(C)nn2-c1ccccc1	919879140	HJFQBRAEMUSUAB-UHFFFAOYSA-N	324.344	1.303	50	20	DDGD	
Cc1ccc(O[C@H](C)C(=O)NNc2ccnc(N(C)C)n2)cc1	740102848	GRBZJLBEKDGGID-GFCCVEGCSA-N	315.377	1.762	50	20	DDGD	
CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H](C)c1ccccc1	746369164	NQQQHBGCACLZNJ-RISCZKNCSA-N	323.418	1.652	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C\c1ccc(OCC(=O)O)c(OC)c1	915845029	PDHROHCJEQLMHY-GHXNOFRVSA-N	316.313	1.368	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C1CN2CCC1CC2	915049690	YWDCZLUQGHVKOM-UHFFFAOYSA-N	302.378	1.305	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNC(=O)c1c(C)nc2ccccn12	841376943	BAVYIBCNKXCQPX-LBPRGKRZSA-N	318.377	1.465	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)c2ccccc2)c1C(F)(F)F	916095993	UYGYPHJTECTISA-UHFFFAOYSA-N	312.251	1.514	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)C(C)(C)N1CCCCC1)C1CC1	912159901	JIYUFOKNTMUESD-NSHDSACASA-N	312.483	1.545	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)NC(=O)NNc1cc(F)ccc1F	918607099	MZAIILXWETVAOZ-ZETCQYMHSA-N	307.322	1.024	50	20	DDGD	
CC[C@@H](C)c1nc(C)c(CC(=O)NN(C)C(=O)OC)c(C)n1	848056262	ONXKJXIKTFLBQN-SECBINFHSA-N	308.382	1.879	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)c1ccncc1)C(=O)OC(C)(C)C	843749578	LXQXMRNXLZZWGM-GFCCVEGCSA-N	321.377	1.457	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NC[C@@H](C)SC)cc1	845069811	YEKLXEYSICOAGD-SNVBAGLBSA-N	311.407	1.780	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)c2c[nH]nc2C2CC2)cc1	846378205	USGPYKFMPRRAMS-UHFFFAOYSA-N	314.345	1.760	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2cc(C)no2)c(OC)c1	845446401	MYUHRSZITUYUPS-UHFFFAOYSA-N	319.317	1.004	50	20	DDGD	
Cn1c(=NNC(=O)NCc2cc[nH]n2)sc2ccccc21	916637588	USKUGDOKOLGPDC-UHFFFAOYSA-N	302.363	1.278	50	20	DDGD	
CC(CCN(C)C)=NNC(=O)c1cccc(S(C)(=O)=O)c1	915959516	OIYAAMUAFSEDTQ-UHFFFAOYSA-N	311.407	1.148	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)Cc2ccccc2F)cc1C1CC1	741925411	PRZYBRVROVUCBM-UHFFFAOYSA-N	316.336	1.440	50	20	DDGD	
COc1cc(C=NNC(=O)N2CCOCC2)cc(Cl)c1O	745601940	ABFNDQWGEPKZIE-UHFFFAOYSA-N	313.741	1.430	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)c1cc(Br)c[nH]1	749763649	QJESERSBHCZTAD-LURJTMIESA-N	319.228	1.685	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)[C@@H](C)CN1CCCCC1	916364755	VERPZQXRVGYVEK-LBPRGKRZSA-N	305.426	1.609	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)C(C)(C)C1CCC(O)CC1	843970194	CBRDYIFLMDXJRS-IKWCTNDRSA-N	312.410	1.136	50	20	DDGD	
CNC[C@@H]1C[C@H](F)CN1C(=O)[C@H](Br)C(C)(C)C	843475217	FOZRUELQZHTWDF-GUBZILKMSA-N	309.223	1.954	50	20	DDGD	
CO[C@H](C=NNC(=O)[C@@H](C)Oc1ccccc1F)[C@H]1CCOC1	841613352	WOXTZSPXCLILFI-TYNCELHUSA-N	324.352	1.747	50	20	DDGD	
Cc1ccc2c(CCC(=O)NNC(=O)NC3CC3)c[nH]c2c1	744477229	IIZZEHNXQQBZOT-UHFFFAOYSA-N	300.362	1.902	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc3c(c2)CC(C)(C)O3)cn1	843550709	GZPKJFXMXMMNNC-UHFFFAOYSA-N	314.345	1.208	50	20	DDGD	
O=C(NNC(=O)C(F)(F)C(F)F)c1cccc([N+](=O)[O-])c1	749323376	QGSUGAUZDGDOHG-UHFFFAOYSA-N	309.175	1.256	50	20	DDGD	
C[C@@H]([C@H](C)C(=O)NNc1ccc(F)cc1F)S(C)(=O)=O	841409891	XKEMYDFUAJIGQJ-YUMQZZPRSA-N	306.334	1.477	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1c[nH]c2cccc(F)c12	843978997	LTEJDEZBYQGUQR-BDAKNGLRSA-N	305.309	1.493	50	20	DDGD	
CCOc1ccc(NNC(=O)NC[C@@H]2CNCCCO2)cc1	842010950	NEHBPZONSZPCCP-AWEZNQCLSA-N	308.382	1.090	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2CCC(=O)C2)cc1	843890401	WIKCRMMSNZODPK-GFCCVEGCSA-N	304.346	1.144	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1C[C@@H](OCC)C1(CC)CC	749614717	HQNPNPFZFWGBGK-NWDGAFQWSA-N	315.414	1.337	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)[C@@H](C)c2ccco2)C[C@@H](C)O1	743291669	QZKBZUFENHCFMX-XQQFMLRXSA-N	323.393	1.030	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)NOC1CCC1	847380459	XWGPIUSQRUQJHC-UHFFFAOYSA-N	302.132	1.349	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c(F)c1	845438941	TWLUZIKTKUCIPW-WQAKAFBOSA-N	323.324	1.558	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H]2CC[C@H](CN)C2)cccc1[N+](=O)[O-]	842009307	AHUMSUIVHMVVNP-WDEREUQCSA-N	307.354	1.657	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@H](C)C(=O)OC(C)(C)C	847425989	BFAPTLAMNANIHP-SNVBAGLBSA-N	301.387	1.341	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1ccc(-c2ccco2)s1	755262814	NMVRNJZBGMZVFZ-UHFFFAOYSA-N	316.342	1.735	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)NC[C@H]1CCN1C	925425380	FHJRRHYPTHNPNB-SECBINFHSA-N	312.805	1.584	50	20	DDGD	
C[C@H]1CCCN1C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	752014662	UWWZQHFYMIEOBE-LBPRGKRZSA-N	313.361	1.711	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1CCC(=O)N(c2cccc(F)c2)C1	854409897	OOKBJPNAYLREDT-LBPRGKRZSA-N	323.368	1.178	50	20	DDGD	
CC(=O)N[C@](C)(C(=O)NNC(=O)c1ccccc1C)C(C)C	929355524	VJFNKXGYASQLOW-INIZCTEOSA-N	305.378	1.307	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)c2cc(Cl)ccc2O)O1	757373449	YIADSTNEPAZEMI-SKDRFNHKSA-N	312.753	1.764	50	20	DDGD	
O=C(NN=Cc1ccc2[nH]ccc2c1)[C@@H]1CN2CCC[C@@H]2CO1	853390107	LRCIYWVSSGJOCO-ZBFHGGJFSA-N	312.373	1.481	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ncnc2ccsc12)C1CC1	855095795	SBNIURUDKAFJJV-SSDOTTSWSA-N	321.431	1.599	50	20	DDGD	
CCCOc1ccc(NC(=O)NNC(=O)COCC)c(C)c1	756154118	AZDXMBRCGAHYJT-UHFFFAOYSA-N	309.366	1.973	50	20	DDGD	
Cc1cc(C(=O)NN=C[C@@H]2CCCO[C@H]2c2nccn2C)n[nH]1	853320675	GEPOFEDXURANST-WCQYABFASA-N	316.365	1.335	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc(F)c(C#N)c1)C1CC1	855097757	XPYQHMJSTBYJOJ-QMMMGPOBSA-N	306.366	1.605	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1	920288317	RHMFGGZEULXOMY-CQSZACIVSA-N	317.389	1.024	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)NCC)cnn1-c1ccccc1	751533413	IDKKGKVMAPXWBV-UHFFFAOYSA-N	315.377	1.789	50	20	DDGD	
CCCc1cnc(NC(=O)C(=O)NNc2cc(C)ncn2)s1	756191069	XLCLJXDMUYEMRS-UHFFFAOYSA-N	320.378	1.276	50	20	DDGD	
COc1cc(C(=O)NN=Cc2[nH]cnc2C)cc(OC)c1OC	755482256	YOFFLQOTPKICNN-UHFFFAOYSA-N	318.333	1.508	50	20	DDGD	
Cn1nc(C(=O)NNC(=S)NCC2CCC2)cc1C1CC1	855091379	NOWMISDXVKWKEA-UHFFFAOYSA-N	307.423	1.207	50	20	DDGD	
CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NN(C)C(=S)NC	854924026	CCESPAORHFLMBR-WOPDTQHZSA-N	301.456	1.828	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc2cncn2c1)C1CC1	855096506	BWSUYUHADXSGBG-VIFPVBQESA-N	303.391	1.242	50	20	DDGD	
CSc1ccc(NC(=O)NNC(=O)c2c[nH]nc2C)nc1	758004185	VXAYHCHNXYUMSP-UHFFFAOYSA-N	306.351	1.302	50	20	DDGD	
O=C1Nc2c(F)cccc2C1=NNC(=O)c1ccc(Cl)nc1	753954066	BGTAKQUOSOIMGK-UHFFFAOYSA-N	318.695	1.960	50	20	DDGD	
COc1cccc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c1	853387285	RTMJYWVHGCZMLL-HIFRSBDPSA-N	303.362	1.009	50	20	DDGD	
Cc1nn(-c2ccccc2)cc1C=NNC(=O)c1cnn(C)c1	755729424	BWSLEXSEZLTQMM-UHFFFAOYSA-N	308.345	1.678	50	20	DDGD	
CC(C)OCCCN(C)C(=O)NNC(=O)c1cccc(F)n1	852711671	SOXDIYKSDWFOGK-UHFFFAOYSA-N	312.345	1.322	50	20	DDGD	
CNC(=O)NCCC(=O)OC[C@H](CBr)C1CC1	859699543	NVJUNTKRMMQLKY-VIFPVBQESA-N	307.188	1.270	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H](CN1CCCC1)c1ccccc1	854410019	PIIJIYKBAIWJOB-AWEZNQCLSA-N	305.378	1.595	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@H]32)n1	859795375	GDNZBDRZNWWAEV-NWANDNLSSA-N	310.357	1.823	50	20	DDGD	
C[C@H](NC(=O)NC[C@@]1(C)C[C@@H]1Br)c1ncn(C)n1	856850027	UWFJSDCOOILZMT-DKCNOQQISA-N	316.203	1.349	50	20	DDGD	
COc1cc(CCC(=O)NNC(=O)c2ccccc2C)on1	854245410	APEVRSUFUUVGPF-UHFFFAOYSA-N	303.318	1.385	50	20	DDGD	
CC1CCN(CCNC(=O)NNc2ncc(Cl)cn2)CC1	856837529	MQZQPMVKTIHIEF-UHFFFAOYSA-N	312.805	1.488	50	20	DDGD	
C[C@@H](CC(=O)NNc1cnnn1C)C(=O)c1ccc(Cl)cc1	857272860	IYBMVQKNPBMTRS-VIFPVBQESA-N	321.768	1.821	50	20	DDGD	
COc1ccc(CC(=O)NNc2nc(C)cc(OC)n2)c(C)c1	933984374	AWVQHHFGNGDAOP-UHFFFAOYSA-N	316.361	1.796	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2ccc(N(C)CCO)cc2)o1	752174881	OWNFTFDRNVNEAZ-UHFFFAOYSA-N	301.346	1.780	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1C(=O)NNc1cc(C)ncn1	757661581	MBTDXASEQZDKGX-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
CC[C@H](CS(=O)(=O)NC[C@@]1(C)C[C@H]1Br)OC	856753225	PPHKRGXBDBREIW-OPRDCNLKSA-N	314.245	1.504	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)c1ccc2c(c1)OCO2	756653476	KFOURNGMUKXKCL-LLVKDONJSA-N	321.377	1.434	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(C#N)ccc1OC(C)C	756192665	QEWLKLQMFJAVOY-UHFFFAOYSA-N	306.322	1.145	50	20	DDGD	
O=C(NNc1ccccn1)NC1(C(F)(F)F)CCOCC1	932293415	RCYYYTBEQBKNCB-UHFFFAOYSA-N	304.272	1.819	50	20	DDGD	
CC(C)(C)c1ccccc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1	862457843	RZIOYQQGMXLHSC-LBPRGKRZSA-N	303.362	1.024	50	20	DDGD	
CC[C@H](Oc1ccccc1C)C(=O)NNC(=O)c1cn[nH]c1	862471920	CBWZPSIZMWXGQJ-LBPRGKRZSA-N	302.334	1.337	50	20	DDGD	
COCCCNC(=O)NN=Cc1cccc(-n2cccn2)c1	760254311	OGPNEJBPERIVJH-UHFFFAOYSA-N	301.350	1.542	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2CC[C@H](C3CCC3)CC2)N1	862464009	QLHAAAFQRSVTLV-AVGNSLFASA-N	307.394	1.019	50	20	DDGD	
CCC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	861435740	ROHVZHQFNYSAEY-ZWNOBZJWSA-N	319.361	1.857	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1cccc(-n2cccn2)c1	760253189	RKVXWRWZHOILJT-UHFFFAOYSA-N	305.341	1.960	50	20	DDGD	
O=C(NN=C1CCC(C(F)(F)F)CC1)C(=O)N1CCCC1	766023108	WJTHUFAXHIQPPY-UHFFFAOYSA-N	305.300	1.834	50	20	DDGD	
O=C1NCC[C@@]1(C(=O)NNc1ccnc(F)c1)C1CCCC1	860693803	GPOJXUSULIGNOC-OAHLLOKOSA-N	306.341	1.360	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)c2ccc(C3=CCCC3)cc2)N1	862463107	YDCJDZIPMWXVHH-AWEZNQCLSA-N	313.357	1.294	50	20	DDGD	
CC(C)CC(=O)NCCC(=O)NNc1nc2ccccc2[nH]1	768495535	LZAVKWPELCNFMC-UHFFFAOYSA-N	303.366	1.558	50	20	DDGD	
COc1nccnc1NNC(=O)c1cncc(OC(C)C)c1	764470654	JGGIPLTWIQALBB-UHFFFAOYSA-N	303.322	1.424	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(F)c1Cl)N1CCN(C)CC1	862509541	LBXGGOFSZSVSJF-JTQLQIEISA-N	314.792	1.558	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNc1ccc(C#N)c(Cl)c1	935364655	WMEBABBVBICVSW-GHMZBOCLSA-N	307.737	1.854	50	20	DDGD	
COc1cccc(OCC(=O)NNc2nccnc2OC)c1	764481359	FKFNLEZYCQWACX-UHFFFAOYSA-N	304.306	1.016	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)Nc1ccccc1OCC1CC1	860676779	BDDGIEWMKRGPLA-UHFFFAOYSA-N	315.333	1.665	50	20	DDGD	
COC(=O)[C@@H](C)c1cccc(NCc2ccc(B(O)O)cc2)c1	864015712	STXWIUDFZJJRML-LBPRGKRZSA-N	313.162	1.255	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@@]1(C)COc2ccccc2O1	863867318	VRBYQZLYNFLMOL-MRXNPFEDSA-N	306.362	1.800	50	20	DDGD	
O=C(NN=C1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1cn[nH]c1	863155119	XQGYPZBNTKHNJD-LLVKDONJSA-N	317.309	1.416	50	20	DDGD	
O=C(NNC(=O)C1CC1)C(=O)Nc1cnccc1-c1ccccc1	760280750	XMJRSFALYAPURN-UHFFFAOYSA-N	324.340	1.245	50	20	DDGD	
COCCOCC(=O)NNC(=O)/C=C/Sc1ccccc1	869901845	ZXOPFPPYXOYRFX-JXMROGBWSA-N	310.375	1.103	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CCCn1cnc2ccccc21	1115852364	YITRBRJAGCTGLB-UHFFFAOYSA-N	319.434	1.720	50	20	DDGD	
Cn1nncc1NNC(=O)C1CC(O)(c2cccc(Cl)c2)C1	863920767	WTMSDGDGZHVPBY-UHFFFAOYSA-N	321.768	1.209	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1csnn1	1116736344	RSEWRVXMCMRFHR-UHFFFAOYSA-N	305.348	1.209	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1cccc(Cn2cncn2)c1	769976937	USMXZHDWRMMIDH-UHFFFAOYSA-N	316.365	1.525	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNC(=S)Nc1ccccn1	874956285	RXHUQSMENLKMGR-VHSXEESVSA-N	306.391	1.405	50	20	DDGD	
Cc1cc(=NNC(=O)NCC[C@H](C)N2CCCCC2)cc[nH]1	875486129	WBYQFJKBCNSYIC-AWEZNQCLSA-N	305.426	1.703	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2nc3ccccc3s2)CCO1	873298371	ORKKFHXRXWVIPT-SECBINFHSA-N	320.374	1.371	50	20	DDGD	
Cc1noc(C)c1NC(=O)C(=O)NNc1c(F)cccc1F	773708805	XCGOLJWZWFAIMQ-UHFFFAOYSA-N	310.260	1.651	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NNc2nccc(N3CCOCC3)n2)C1	776489043	UOFAOPCBXFMXQG-NEPJUHHUSA-N	305.382	1.193	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cc(F)ccc2N(C)C)n[nH]1	872340375	XVBRRPRLPXRNGZ-UHFFFAOYSA-N	303.341	1.616	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1CCO[C@H](C(CC)CC)C1	779394570	DJJDFRXCPWQIMK-OLZOCXBDSA-N	315.414	1.337	50	20	DDGD	
COCCn1cc(NC(=O)NNc2nccnc2C(C)C)cn1	770231975	ZOKALDVICWEAJL-UHFFFAOYSA-N	319.369	1.592	50	20	DDGD	
CC(C)c1ncc(C(=O)NNc2ccccc2S(C)(=O)=O)[nH]1	1116294700	PLZHJIGNJRYHRA-UHFFFAOYSA-N	322.390	1.694	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H]2NC(=O)O[C@@H]2C)c1	873757451	ZPKBPOQQLQPCEZ-KOLCDFICSA-N	322.390	1.118	50	20	DDGD	
COCCCn1ccc(NC(=O)C(=O)NNc2ccccc2)n1	775528291	COXGHPZTIIEDKS-UHFFFAOYSA-N	317.349	1.001	50	20	DDGD	
COc1ccc(-c2cc(C(=O)NNC(=O)C(C)C)no2)cc1	877999700	FEXSBQRACNMLOT-UHFFFAOYSA-N	303.318	1.767	50	20	DDGD	
CCc1noc(C2CCC(=NNC(=O)N3CCOCC3)CC2)n1	778540983	YVTDZLASPLKFGZ-UHFFFAOYSA-N	321.381	1.687	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)NC[C@@H]1C=CCC1	883416559	XZVBWXWYVOXHPH-GFCCVEGCSA-N	319.361	1.371	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccccn2)nn1[C@@H](C)C1CC1	777275083	PHJIKNGBJUWGMG-NSHDSACASA-N	313.361	1.632	50	20	DDGD	
C[C@H](CBr)CN(C)CC(=O)NCc1ccco1	770646864	UHLJCAKWLWECMG-SNVBAGLBSA-N	303.200	1.859	50	20	DDGD	
CS(=O)(=O)CCCC(=O)NNc1ccc(F)cc1Cl	885135953	QNVKLFLVARUTTN-UHFFFAOYSA-N	308.762	1.747	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CN1CCCCCCC1=O	772833169	HDPNMUCBFWVYAQ-UHFFFAOYSA-N	319.409	1.836	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccccc2[N+](=O)[O-])nc1	886315295	FMVHUJOCQMFBCE-UHFFFAOYSA-N	316.273	1.533	50	20	DDGD	
COCCO[C@@H]1C[C@H](CO)CN(/C(=C/C#N)c2ccccc2)C1	773961233	GAZZIVCTGJMQOX-OAHYDYCLSA-N	316.401	1.897	50	20	DDGD	
Nc1ccc(C(=O)NN=Cc2ncc(C3OCCO3)s2)cc1	772990130	KCDOEEPSRTYCQX-UHFFFAOYSA-N	318.358	1.535	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12	883139985	GDMQILPFNXLZOO-VXUPGSCNSA-N	315.377	1.245	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1	781064312	ZKPBJZLBDKZFOK-OLZOCXBDSA-N	324.425	1.108	50	20	DDGD	
CC(C)CN1CCC[C@H](CNS(=O)(=O)CCCCl)C1	882005724	QAKHGRXFYGWAAG-CYBMUJFWSA-N	310.891	1.903	50	20	DDGD	
CN1C(=O)CN(S(=O)(=O)CCCCl)[C@H]1c1ccccc1	882115047	WSTZPYJCQNCOGD-ZDUSSCGKSA-N	316.810	1.418	50	20	DDGD	
CS[C@@H]1CC[C@@H](NC(=O)NNC(=O)C2CCOCC2)C1	883472410	BMXNPUMNAMSSAS-GHMZBOCLSA-N	301.412	1.028	50	20	DDGD	
CN1CCC(CCNC(=O)NNc2ncncc2Cl)CC1	781001646	RRIIMTAFTFEHHR-UHFFFAOYSA-N	312.805	1.488	50	20	DDGD	
Cc1nn(C)c(C)c1-c1cc(C(=O)N2CC=C(C#N)CC2)n[nH]1	780687781	LCKABEVOPURXJT-UHFFFAOYSA-N	310.361	1.723	50	20	DDGD	
Cn1cc(C(=O)NNc2ccnc(F)c2)c(C(F)(F)F)n1	781362341	TXFRDVGBZJQJFA-UHFFFAOYSA-N	303.219	1.730	50	20	DDGD	
CNC(=O)Nc1ccc(C(=O)NNC(=O)CC2CCCC2)cc1	893802558	WATZFRQFEHSWRA-UHFFFAOYSA-N	318.377	1.779	50	20	DDGD	
CC(C)[C@@H]1CCCN(C(=O)NNC(=O)Cc2cccnc2)C1	780989185	NIQNNTJVBHXZGI-CQSZACIVSA-N	304.394	1.733	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1C1CC1)c1cc2c(s1)CCC2	786650679	HLCJNLONOPYEAC-LBPRGKRZSA-N	319.430	1.625	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2ccc(F)cc2F)ncn1	783948217	TXPUDTOVNXJRLH-UHFFFAOYSA-N	307.260	1.145	50	20	DDGD	
C[C@H]1CCN(CCNC(=O)NNc2ncnc3ccsc23)C1	897443152	RWAMBLLNWAUXGR-JTQLQIEISA-N	320.422	1.659	50	20	DDGD	
Cc1cc(C(=O)NNc2nnc(-c3ccccn3)s2)nn1C	788560272	KXXOCFATFDZTJR-UHFFFAOYSA-N	315.362	1.399	50	20	DDGD	
CC(C)C1CCC(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)CC1	794905584	WENPCOSKXWVUGB-PNESKVBLSA-N	317.455	1.489	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1)c1cnoc1C	799473790	QCMXKJNIQAJVDX-UTUOFQBUSA-N	322.409	1.569	50	20	DDGD	
Cc1cccc(C(=O)NN=C2CCN(Cc3ccccc3)C2=O)n1	794564305	ILRCXVMHHZOQST-UHFFFAOYSA-N	322.368	1.908	50	20	DDGD	
Cn1ccnc(NNC(=O)C[C@H](CC#N)c2ccccc2)c1=O	795161262	UFIJKXULYNFYAS-ZDUSSCGKSA-N	311.345	1.311	50	20	DDGD	
CC(C)[C@@H](O)C(=O)NNC(=O)c1cccc(OC(F)F)c1	796125223	IGBRNWFVBGIBQG-SNVBAGLBSA-N	302.277	1.066	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(-c2ccco2)nc1O	798305803	HBOLWZUYQJZYKA-UHFFFAOYSA-N	318.358	1.342	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccc(OCc2ccncc2)cc1	1318966134	OYHWYMVHUAQBKS-UHFFFAOYSA-N	313.313	1.284	50	20	DDGD	
CC(=NNC(=O)C(=O)NC(C)C)c1c(C)nc2sccn12	1321960851	UZWSIXHPEKYNAK-UHFFFAOYSA-N	307.379	1.069	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)nc1C	1327313788	SQCRUTQWSWXLRI-UHFFFAOYSA-N	313.361	1.375	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCc2nnc(C)o2)cc1	1323297249	LZVSHZHGFGFLDQ-UHFFFAOYSA-N	303.322	1.085	50	20	DDGD	
O=C(c1csc(-c2cccs2)n1)N1CC[C@H](B(O)O)C1	585070028	SMIXTTFVGXXDPM-QMMMGPOBSA-N	308.193	1.561	50	20	DDGD	
CCc1onc(C)c1NC(=O)C(=O)NNc1ncccc1F	1323761276	KZTISWSBEBZMFO-UHFFFAOYSA-N	307.285	1.161	50	20	DDGD	
CC(C)n1c(O)nc2ccc(C(=O)NNc3ccn(C)n3)cc21	1329568917	BMTSMWNMPUZWFO-UHFFFAOYSA-N	314.349	1.813	50	20	DDGD	
C[C@@H]1COCCN1CCNC(=O)NNc1cc(F)ccc1F	1334295366	AGZISFCMWWLTPZ-SNVBAGLBSA-N	314.336	1.312	50	20	DDGD	
C=C(C)COCCNC(=O)NNC(=O)c1ccccc1Cl	1253022809	GEBBTOCCSXDGDS-UHFFFAOYSA-N	311.769	1.877	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(N2CCCC2=O)c(C)c1	1336770134	HXUAPAPXUNJNLI-UHFFFAOYSA-N	320.349	1.857	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](C(=O)NNc2ncnc3ccsc23)C1	1336404332	BLROBVPMAWTAPL-OCAPTIKFSA-N	306.347	1.334	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCN1CC[C@H](C)C1	1336874447	SVMKAUPLGAUHBA-LBPRGKRZSA-N	304.394	1.281	50	20	DDGD	
O=C(CCCC[C@H]1CCSS1)N1CCNC[C@H]1CO	1263180148	FIPCBXSFSIXDLT-RYUDHWBXSA-N	304.481	1.493	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[C@@H](F)C1	1349082260	RPRCMOQUPLYFAD-GHMZBOCLSA-N	324.312	1.820	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@@H]1CCCCN1Cc1cccc(F)c1	1519248866	IZCYMISLPOQUJW-AWEZNQCLSA-N	322.384	1.483	50	20	DDGD	
CCN(CC)CC[C@H](C)NC(=O)NNc1ccc(C#N)cn1	1528402205	XJJRTOLAYMRULL-LBPRGKRZSA-N	304.398	1.700	50	20	DDGD	
CS(=O)(=O)N1CC[C@H](CNC(=O)C2CCC(Cl)CC2)C1	1521279880	MOEBGGHVZBNRAC-VOMCLLRMSA-N	322.858	1.182	50	20	DDGD	
CN1CCCC[C@H](C(=O)NNc2cccc(F)c2C(=O)O)C1=O	1606226414	SILJJLYNTJVUEB-SECBINFHSA-N	323.324	1.226	50	20	DDGD	
Cc1coc(CC(=O)O)c1C(=O)NNC(=O)c1ccccc1F	1607921033	APSYOGXDIDHBEB-UHFFFAOYSA-N	320.276	1.429	50	20	DDGD	
Cn1nccc1CCC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1601035849	WFKXHGYSDGEAFK-UHFFFAOYSA-N	319.273	1.565	50	20	DDGD	
Cn1nc(NC(=O)NNc2cc(F)ccc2F)cc1C(=O)O	1601014683	LGETZUAAGLPLQC-UHFFFAOYSA-N	311.248	1.545	50	20	DDGD	
O=C(NN[C@@H](C(=O)O)C1CC1)c1cccc(OC(F)F)c1	1601557463	MDCAVGQBVKKVDO-SNVBAGLBSA-N	300.261	1.386	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCS1)c1cccc(-c2nn[nH]n2)c1	1602907168	SVKSMWLAGKIWMI-GFCCVEGCSA-N	316.390	1.603	50	20	DDGD	
Cn1c(C(=O)NNc2cccnc2Cl)ccc1-c1nn[nH]n1	1606213263	LSHBTVDOILCRBZ-UHFFFAOYSA-N	318.728	1.011	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cc(C(F)F)[nH]n2)c(F)c1	1608904299	PJEVCULVOXHOGQ-UHFFFAOYSA-N	314.223	1.942	50	20	DDGD	
COc1ccc(CC(=O)NNc2ccc(CC(=O)O)cc2)nc1	1607245263	YWZVJQWSBZNCEH-UHFFFAOYSA-N	315.329	1.403	50	20	DDGD	
C[C@@H]1COCC[C@@H]1CNC(=O)NNc1cccc(C(=O)O)c1	1604817916	FZCXVNJWYBNQJG-ZYHUDNBSSA-N	307.350	1.684	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1603890898	ODIYYKUISUNGSV-KOLCDFICSA-N	316.369	1.467	50	20	DDGD	
Cc1c(NNC(=O)[C@@H](O)c2ccccc2)cccc1C(=O)O	1600050266	BKRQTPUZYIBFIN-AWEZNQCLSA-N	300.314	1.870	50	20	DDGD	
C[C@@H]1CCNC[C@H]1NC(=O)NNc1ccc(F)c(C(=O)O)c1	1609862086	HKQWRPZWYWWXOW-PRHODGIISA-N	310.329	1.148	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)cc1C	1549316105	FCRGUUQDQJALAV-GDBMZVCRSA-N	317.389	1.317	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@@H]1c1nccn1C)c1cnc[nH]1	1549315805	MSKVAOFRYCYPAC-YPMHNXCESA-N	316.365	1.151	50	20	DDGD	
O=C(NN=Cc1cccc2cccnc12)[C@H]1CN2CCC[C@@H]2CO1	1549315474	BPEBQXZWNKWNSC-HZPDHXFCSA-N	324.384	1.548	50	20	DDGD	
COc1cc(NNC(=O)NCC23CC(CN2)C3)ccc1Cl	1579166159	AXXBASVCZNYKQZ-UHFFFAOYSA-N	310.785	1.727	50	20	DDGD	
Cc1cc(F)c2c(c1)N[C@@H](C(=O)NNC(=O)[C@H]1CCCS1)C2	1579610730	MDBXQVDSUGCWOM-CHWSQXEVSA-N	323.393	1.514	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2cccc(N)n2)ccc1F	1578860379	PDZJLSZNQREYJT-UHFFFAOYSA-N	304.281	1.346	50	20	DDGD	
NCc1ccccc1C(=O)NNC(=O)c1ccc(Cl)cc1	1580344042	OZCBPSLRTPBXFY-UHFFFAOYSA-N	303.749	1.874	50	20	DDGD	
O=C(NNC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F)[C@@H]1CCN1	1580735970	JTJOQFHDHJWNOU-XQQNMMJOSA-N	319.327	1.110	50	20	DDGD	
N[C@H](CCC(=O)NNC(=O)c1cccc(F)n1)c1ccccc1	1580128529	VYHNKHRVPYOBOO-GFCCVEGCSA-N	316.336	1.462	50	20	DDGD	
CC(C)(C)C#CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	1589071607	KHVRRVUKLTYNGQ-UHFFFAOYSA-N	319.756	1.408	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)C(=O)CC)C1	1845971227	LITGQGCURDHWQP-NSHDSACASA-N	314.813	1.576	50	20	DDGD	
C=C(CCC(=O)O)C(=O)NNC(=O)CCOc1ccccc1	1588630565	RGLAOFBMSPXXSX-UHFFFAOYSA-N	306.318	1.024	50	20	DDGD	
CN(C)c1ccnc(C(=O)NNc2ccccc2C(=O)O)c1	1598345493	BLXDFAAQGVRRKS-UHFFFAOYSA-N	300.318	1.603	50	20	DDGD	
O=C(c1ncc[nH]1)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846387090	FQTAHRSGJAJYLO-UHFFFAOYSA-N	317.176	1.030	50	20	DDGD	
COCCCOCCC(=O)NNc1cccc(F)c1C(=O)O	1599226390	SHAADIRGWKCURL-UHFFFAOYSA-N	314.313	1.410	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@@H](Cc1ccccc1)C(=O)O	1596862075	GCTDLRCEQBRYJE-KECPUOCWSA-N	302.330	1.490	50	20	DDGD	
Cc1cnc(CC(=O)NNc2cccc(-c3nn[nH]n3)c2)s1	1592292912	RZGHHZJFDWKVMD-UHFFFAOYSA-N	315.362	1.317	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccc(C(=O)O)c(F)c2)cn1	1599272182	VODGRJRQMBDPDT-UHFFFAOYSA-N	322.296	1.124	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(C)c1ccc(OCC(=O)O)cc1	1596860794	JJKDSBISZNDQKU-PKNBQFBNSA-N	304.302	1.557	50	20	DDGD	
CCc1cc(C(=O)O)ccc1NC(=O)NNC(=O)[C@H]1CCCO1	1597460320	WGFHRWRZJFLNAS-GFCCVEGCSA-N	321.333	1.279	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1cccc(C(=O)O)c1F	1776120362	DHXMZCMNXXONEU-FMIVXFBMSA-N	320.320	1.974	50	20	DDGD	
C=CCCn1cc(C=NNC(=O)c2ccc(C(=O)O)cc2)nn1	1776101128	RSWCGHZORIZUOZ-UHFFFAOYSA-N	313.317	1.316	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2cccc(F)c2)c1	5512851	HDAAMHJUQHKQNE-UHFFFAOYSA-N	302.305	1.974	50	20	DDGD	
CC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl	1796803646	CCHFQTCVYBVNDL-NOHGZBONSA-N	318.776	1.528	50	20	DDGD	
CC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@@H]1F	1793914114	SHAWMSFOXDMUPR-ISFYIQIJSA-N	316.804	2.000	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)Cc1cc(C)n[nH]1	17514150	BUSGAVHJAWTGGH-UHFFFAOYSA-N	319.390	1.287	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1c[nH]c2cc(F)ccc12	161241422	UGGLCJZEUPLLML-UHFFFAOYSA-N	306.341	1.980	50	20	DDGD	
O=C(COc1ccccc1)NNC(=S)Nc1ccccn1	161725251	WZTDPLJYSYIENA-UHFFFAOYSA-N	302.359	1.478	50	20	DDGD	
CC(C)c1nn(C)c(Cl)c1C(=O)NNC(=O)c1cccn1C	158872946	AGCHXYKKMUWMAI-UHFFFAOYSA-N	323.784	1.610	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cncc(F)c1	164302306	QEYKQOFSHAMTHW-UHFFFAOYSA-N	312.304	1.706	50	20	DDGD	
CC(C)(C)c1nc2cc(NC(=O)NNC(=O)CCO)ccc2o1	156042098	VWVNLUCNOQQOGG-UHFFFAOYSA-N	320.349	1.660	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2	154874043	VYSHNLYPECOCCW-UPJWGTAASA-N	307.325	1.019	50	20	DDGD	
CCC(CC)n1ncc(C(=O)NNC(=O)[C@H]2CCCO2)c1C	159069467	XPUZIOBEJPVHDM-CYBMUJFWSA-N	308.382	1.493	50	20	DDGD	
BrC[C@H](CN1CCN2CCOC[C@H]2C1)C1CC1	859252186	NCZUYOBTQVFQRR-CHWSQXEVSA-N	303.244	1.424	50	20	DDGD	
COCCOCCN(C)S(=O)(=O)c1ccc(CCl)cc1	380320036	NNPPBVUWWHLCLC-UHFFFAOYSA-N	321.826	1.709	50	20	DDGD	
CC[C@H](NS(=O)(=O)c1ccc(CCCl)cc1)[C@H](C)O	387363565	WPJFGPNLEDGEKR-GWCFXTLKSA-N	305.827	1.906	50	20	DDGD	
CC(C)[C@H](NC=O)C(=O)N(C)NC(=O)OCc1ccccc1	862291508	PYIYNUYUFKVSDZ-ZDUSSCGKSA-N	307.350	1.057	50	20	DDGD	
COc1ccc(Cl)cc1CC(=O)NNC(=O)c1ccccn1	7751613	WCECELKCTYWDDK-UHFFFAOYSA-N	319.748	1.747	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccccc2)cc1	10868008	ZJAVDQYMTUMOEJ-UHFFFAOYSA-N	312.325	1.613	50	20	DDGD	
C[C@H](SCC(=O)NNC(=O)N(C)C)c1nc2ccccc2[nH]1	174145546	GJTHMMVFOREISP-VIFPVBQESA-N	321.406	1.660	50	20	DDGD	
Cn1cc(CC(=O)NNC(=S)Nc2cccc(Cl)c2)cn1	171323195	ZGSVGTGLQHBEID-UHFFFAOYSA-N	323.809	1.634	50	20	DDGD	
Cc1ccoc1C(=O)NNC(=O)[C@H]1COc2ccccc2O1	26977195	QLTKZWLVIIWKQK-GFCCVEGCSA-N	302.286	1.189	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@H]2Cc3ccccc32)n1	175362468	YLBDULHNIDWZOY-GFCCVEGCSA-N	313.361	1.760	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)Cc1ccccc1O	106286443	BMUSBLALKMTWRE-UHFFFAOYSA-N	314.341	1.421	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)n1	25579851	POSPCXXSYBZPTE-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(F)cc1F)NC1CCCC1	65833106	FUOYGAFHDKUDOI-UHFFFAOYSA-N	319.333	1.400	50	20	DDGD	
O=C(NCCCn1ccnc1)NNC(=O)c1ccc(Cl)cc1	54028883	XTEKMIDYYINKLH-UHFFFAOYSA-N	321.768	1.571	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCc2ccc(O)cc2)cc1	64224909	PXZIQIOJERZISK-UHFFFAOYSA-N	310.313	1.408	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C[C@H](C)c1ccccc1F	110759346	VWQPYAHIGYGPBM-VIFPVBQESA-N	304.325	1.812	50	20	DDGD	
CSC[C@H](C)C(=O)NNC(=O)COc1ccccc1F	66816558	LVSVQWMJEZUELR-VIFPVBQESA-N	300.355	1.351	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCc1c[nH]c2ccccc12	66687980	GIXFXXNDNBINNI-UHFFFAOYSA-N	304.350	1.077	50	20	DDGD	
CN(C)CC(=O)NNC(=O)C[C@H](c1ccccc1)C(F)(F)F	113427630	HIFGVFCQZUJMBH-LLVKDONJSA-N	317.311	1.432	50	20	DDGD	
C[C@H](O)C[C@@H](CNC(=O)NNc1cccnn1)c1ccccc1	177886661	GCEUUISKAICTKV-JSGCOSHPSA-N	315.377	1.657	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccccc1F)c1cccnc1	66976296	JJNIYSPIGUVXFI-LLVKDONJSA-N	316.336	1.855	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NC[C@H]1CCCO1)c1ccccc1	68446471	UOMNPGFMMQASSG-CYBMUJFWSA-N	305.378	1.474	50	20	DDGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)[C@H]1COCCO1	178036059	BXLRQTFRCCSMNT-SNVBAGLBSA-N	306.240	1.444	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)CCN1CCCS1(=O)=O	179015627	STURDAQOUJJCMQ-UHFFFAOYSA-N	315.370	1.003	50	20	DDGD	
COC(=O)[C@H]1CCC[C@@H](C(=O)NNc2ccc(Cl)nn2)C1	175242825	NLXFIHKTLORWAE-BDAKNGLRSA-N	312.757	1.553	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1c(C)[nH]c2ccccc12	68461314	FLWCXHQLKBSKPM-UHFFFAOYSA-N	318.377	1.386	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)Nc2ccon2)cc1	183554096	AVXVALSCHUEGMK-UHFFFAOYSA-N	304.306	1.469	50	20	DDGD	
Cc1cc(Br)ccc1C(=O)NNC(=O)CN(C)C	75653962	GZRZUQIPVVVYIW-UHFFFAOYSA-N	314.183	1.080	50	20	DDGD	
CN(C)c1ccc(CNC(=O)NNC(=O)OC(C)(C)C)cc1	31727548	HWLKAIBVNOISJM-UHFFFAOYSA-N	308.382	1.992	50	20	DDGD	
CCc1ccc(CCNC(=O)NNc2nccc(OC)n2)cc1	77620838	PEUOPTJQTCZRSN-UHFFFAOYSA-N	315.377	1.916	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2ccoc2C)nc1C	182727840	UAFAOSAGKZNUSM-UHFFFAOYSA-N	304.306	1.620	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCOCC(C)C)cc1OC	32484890	IVVDPOJPNLULPF-UHFFFAOYSA-N	324.377	1.528	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(Cl)ccc2O)ncn1	127863408	GESGUHLBKBHOKE-UHFFFAOYSA-N	306.709	1.219	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCc2nc(C)no2)cc1	78536714	PHRLTQTWLZUTPN-UHFFFAOYSA-N	302.334	1.334	50	20	DDGD	
Cc1nn(C)c(C)c1OCC(=O)NNc1ccc([N+](=O)[O-])cc1	134186608	DRZUDZPVXHAMGX-UHFFFAOYSA-N	319.321	1.467	50	20	DDGD	
COc1nccnc1NNC(=O)CSc1ccc(F)cc1	131747759	ADXQFVFKAAZWKT-UHFFFAOYSA-N	308.338	1.860	50	20	DDGD	
C=CCC1(C(=O)NNC(=O)Cc2cn3ccccc3n2)CCC1	188698490	NAVHTFDWFROPSW-UHFFFAOYSA-N	312.373	1.771	50	20	DDGD	
CC(C)Cn1cc(C(=O)NNc2cc(Cl)nc(N)n2)cn1	134059052	IUSRPFYVGXWICV-UHFFFAOYSA-N	309.761	1.322	50	20	DDGD	
Cc1cccc2c(CC(=O)NNC(=O)NCC3CC3)c[nH]c12	132036422	DXXUZVUIJDYFIP-UHFFFAOYSA-N	300.362	1.759	50	20	DDGD	
Cc1nc(C(=O)NNC(=S)N[C@H](C)C2CC2)ccc1C#N	83678977	VCOFIHVQAGZUNW-MRVPVSSYSA-N	303.391	1.169	50	20	DDGD	
CC(C)=CCNC(=O)NNC(=O)COc1ccccc1C#N	190547229	DZIMVEUPFZMXFK-UHFFFAOYSA-N	302.334	1.234	50	20	DDGD	
COCC(=O)NNC(=S)Nc1cccc(Br)c1	49082675	IMBJWERVUWKCTN-UHFFFAOYSA-N	318.196	1.413	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCc1cccc([N+](=O)[O-])c1	87005491	RMMUGOIOFMPBIM-UHFFFAOYSA-N	316.317	1.327	50	20	DDGD	
Cc1cc(C)cc(OCCC(=O)NNC(=O)c2cccn2C)c1	97132662	DVUYSVJWPHBNFA-UHFFFAOYSA-N	315.373	1.872	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12	247537752	PUDZKPFGXGPFFE-DUBDDPSESA-N	315.373	1.684	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21	249519355	KERVCNDDLASEGY-MPLKPFFPSA-N	302.378	1.783	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCCOCCO)c1C	255394565	LIFFDCPDMAYKGV-WJDWOHSUSA-N	319.405	1.547	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@@H](CCCO)c1ccccc1	265972652	UWYDIZDFLVPKAY-AWEZNQCLSA-N	305.378	1.631	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)NC2CCC2)cc1OC	264454581	PURXUPIUEQUYSP-UHFFFAOYSA-N	307.350	1.590	50	20	DDGD	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NNc1nccn(C)c1=O	267269436	ZAWIDJNWHXXCLD-UPJWGTAASA-N	322.409	1.597	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C[C@@H](C)SC)c1	270327587	LRQYRMLJEWJAPS-SNVBAGLBSA-N	311.407	1.396	50	20	DDGD	
CCOC(=O)N(C)c1ccc(NC(=O)NNC(=O)C2CC2)cc1	273183105	HNMVGWUXNNHYCO-UHFFFAOYSA-N	320.349	1.842	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@H]1CCCN1c1ccccc1	365817808	RERNGNIJGNITRO-OAHLLOKOSA-N	312.373	1.455	50	20	DDGD	
Cn1c(=O)oc2c(NC(=O)NNC(=O)CC(C)(C)C)cccc21	273491333	WRQXODCGKCMNPE-UHFFFAOYSA-N	320.349	1.720	50	20	DDGD	
C=CCCCCNC(=O)NNC(=O)Cc1cn2ccccc2n1	274634566	ZSQFEZJKEKHMEH-UHFFFAOYSA-N	315.377	1.564	50	20	DDGD	
CSSCCNC(=O)N1CC[C@H](CS(C)(=O)=O)C1	366282287	NLASISNUYCIPJS-VIFPVBQESA-N	312.482	1.074	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccc(-n2ccnn2)cc1	272530453	FKUFSNNLMMPYNB-UHFFFAOYSA-N	318.337	1.829	50	20	DDGD	
COCC[C@@H](NC(=O)NNc1nccc(OC)n1)c1ccco1	272713461	CZIDHJBMNCZYEW-SNVBAGLBSA-N	321.337	1.482	50	20	DDGD	
C=C(C)C[C@@H](C)C(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C	274561137	WKYWJPITGNGATA-GHMZBOCLSA-N	313.398	1.649	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNc2cccc(S(C)(=O)=O)c2)CCO1	272033928	POKZPGVKPFCCDB-WDEREUQCSA-N	312.391	1.348	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCC[C@H]2CCO[C@@H](C)C2)n1	273154632	YJXHUNJCFZHTKZ-STQMWFEESA-N	307.398	1.925	50	20	DDGD	
Cn1nnc2c(C(=O)NNc3nccnc3C3CCC3)ccnc21	286927915	IXVWWSMGTUQZCV-UHFFFAOYSA-N	324.348	1.178	50	20	DDGD	
CSSCCNS(=O)(=O)c1ccc2c(c1)OCCO2	284693211	PBFLCQLIUCUVTF-UHFFFAOYSA-N	321.445	1.747	50	20	DDGD	
COC(=O)[C@@H]1COCCN1C(=O)[C@H](Br)C(C)(C)C	372102149	LOEHJWKFDUAQAN-IUCAKERBSA-N	322.199	1.196	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)c3cnn(C)n3)cc2C1	284237730	HHDOOMFYSSCQIH-QMMMGPOBSA-N	319.390	1.076	50	20	DDGD	
COCCN(C)NC(=O)/C=C/c1ccccc1OC(F)F	288345052	FXIUFACFNRKXTK-BQYQJAHWSA-N	300.305	1.911	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2C[C@@]23CCOC3)cc1	374656880	UJJXHBGBIRMBNZ-SWLSCSKDSA-N	305.334	1.275	50	20	DDGD	
C=CC[C@@H](CC)NC(=O)NNc1ccc(-n2cccn2)nn1	281297345	IXWREOSEODCVHL-LLVKDONJSA-N	301.354	1.643	50	20	DDGD	
O=C(CCNC(=O)NNc1cccc(F)n1)NC1CCCCC1	287120868	ZXYPGQVLCVXQKC-UHFFFAOYSA-N	323.372	1.686	50	20	DDGD	
Cn1nc(NC(=O)NNC(=O)c2ccncc2)cc1C1CC1	289730331	IEHKONKHJXTHLW-UHFFFAOYSA-N	300.322	1.159	50	20	DDGD	
CN(NC(=O)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(N)=O	282538407	ZIJPRXVGKHRANB-KCJUWKMLSA-N	315.732	1.598	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H]2CCc3cc(C)ccc3O2)n1	280359047	RWJHBJLQYRMHNX-CYBMUJFWSA-N	314.345	1.631	50	20	DDGD	
C=CCC(C)(C)C(=O)NNC(=O)Cc1nc2ccccc2n1C	292389692	VMJBZQMNBUABIS-UHFFFAOYSA-N	314.389	1.866	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccnc(C(F)(F)F)c1	808385974	ZXHZAKSOHTWJSE-UHFFFAOYSA-N	302.256	1.454	50	20	DDGD	
CC(C)(C)Oc1ccc(C(=O)NNC(=O)c2ccc[nH]2)nc1	292339577	DGMBYQBVWFKQCE-UHFFFAOYSA-N	302.334	1.662	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ncccc2F)cc1F	807300340	ALFMSYVKVVWZLL-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc2c(F)cccc2[nH]1	295392294	LOHFDQWGQDZGSL-ZDUSSCGKSA-N	305.309	1.637	50	20	DDGD	
CCc1oc(/C=C(/C#N)C(=O)OCCOC)cc1C(=O)OC	800790497	MKSSUHDEMQOVCS-YFHOEESVSA-N	307.302	1.725	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)COc1cc(C)cc(C)c1)OC	291404629	HGKBIQIFIAZXJK-CYBMUJFWSA-N	323.393	1.438	50	20	DDGD	
CC[C@H](C)CONC(=O)NNC(=O)COCc1ccccc1	291905273	QAWSUGFPRGFHCM-LBPRGKRZSA-N	309.366	1.511	50	20	DDGD	
COc1cccc([C@H](C)CC(=O)NNC(=O)[C@H]2CCCCO2)c1	295249540	ABSZWVHLRZBURK-IUODEOHRSA-N	320.389	1.905	50	20	DDGD	
CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NNc1ccncn1	296212216	NFJXJTHSPPGUBN-NSHDSACASA-N	305.382	1.347	50	20	DDGD	
CCN(C)C(=O)c1cccc(NC(=O)NNc2ncccn2)c1	806774570	XLQBRHDEUTVLOJ-UHFFFAOYSA-N	314.349	1.717	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC[C@@H](CC)OC)c1ccccc1	290837404	BXOVQRIHDKUGMU-KGLIPLIRSA-N	307.394	1.936	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1	299392815	RVGJOSFUBZDXHD-ZDUSSCGKSA-N	307.350	1.160	50	20	DDGD	
CCN1CCOC[C@@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1C	805379310	BFNKPIDOIXONEX-CYBMUJFWSA-N	308.338	1.067	50	20	DDGD	
COc1ccccc1Nc1ccccc1C(=O)NNC(=O)CO	800695503	POMOBCQIHOHYFG-UHFFFAOYSA-N	315.329	1.192	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNC(=S)NCC2CCC2)cn1	808390221	PPDGULKMACVMBO-UHFFFAOYSA-N	321.450	1.683	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cc(F)cc([N+](=O)[O-])c1N	299228357	YNBRKJPJDXMZEJ-UHFFFAOYSA-N	314.273	1.486	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1c(O)cccc1F	807370305	DSBZIXOAKOTFAR-UHFFFAOYSA-N	314.313	1.082	50	20	DDGD	
CCCCNC(=O)NNC(=O)/C(=C\c1cccs1)NC(C)=O	817524774	GNQPZQRLNSVJFV-FMIVXFBMSA-N	324.406	1.356	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2csc(C(C)=O)c2)nc1	815878317	AXJPVMYTZZXBJA-UHFFFAOYSA-N	319.342	1.889	50	20	DDGD	
C[C@@H](C#N)Oc1ccc(C=NNC(=O)N=c2cc[nH]cc2)cc1	815000699	PKAQIFWTBZLQRI-LBPRGKRZSA-N	309.329	1.950	50	20	DDGD	
CCc1nc(C)c(C(=O)NNc2cccc(S(C)(=O)=O)c2)o1	815967667	ITFOFIRNPNEODQ-UHFFFAOYSA-N	323.374	1.706	50	20	DDGD	
C[C@]1(C(=O)NNc2ncncc2F)Cc2ccccc2C(=O)O1	817083256	DOEHFOOWABFICY-OAHLLOKOSA-N	316.292	1.231	50	20	DDGD	
Cn1cccc1C(=O)NN=Cc1ccc([S@](=N)(=O)O)cc1	811636750	MCADBQJRYKSITD-UHFFFAOYSA-N	306.347	1.668	50	20	DDGD	
COc1cccc(NCC(=O)NN=Cc2cnn(C)c2Cl)c1	814764037	LHJPUHGUPZSMRG-UHFFFAOYSA-N	321.768	1.644	50	20	DDGD	
O=C(NN[C@H](C(=O)NC1CC1)c1ccc(F)cc1)C1CCCC1	727839148	WUULTBGEZAMBBX-HNNXBMFYSA-N	319.380	1.956	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCc1ccc(C#N)cn1	813707793	PWRHTKPWZSNOAG-VGOFMYFVSA-N	304.309	1.882	50	20	DDGD	
COCCCOCCC(=O)NNC(=O)c1cc2ccccc2o1	829719729	NIZHFBVPDKCXSH-UHFFFAOYSA-N	320.345	1.637	50	20	DDGD	
COC(=O)NN=Cc1ccccc1OCC(=O)NCC1CC1	491442198	YTIAOARWQDWEJX-UHFFFAOYSA-N	305.334	1.282	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C\c1ccc(-c2nn[nH]n2)s1	820092381	KJKLBFLIEBOFKA-UITAMQMPSA-N	302.363	1.607	50	20	DDGD	
Cc1ccc(N2CCOCC2)cc1NC(=O)NN(C)C1CC1	824326688	YRCIYSKKBMPSCV-UHFFFAOYSA-N	304.394	1.962	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CC(n3ccnc3)C2)cc(C#N)n1C	490663655	KVVBXDYRXQANEJ-LHHJGKSTSA-N	320.356	1.392	50	20	DDGD	
O=C(/C=C\[C@@H]1CCOC1)NNC(=O)Nc1cc(F)cc(F)c1	493617009	HIWXRRSJNHPMBL-JKERVTFKSA-N	311.288	1.710	50	20	DDGD	
O=C(Cc1cscn1)NNC(=O)NCCc1cccs1	823810441	MCIDSXGGFUSSQS-UHFFFAOYSA-N	310.404	1.320	50	20	DDGD	
COc1ccc(Cl)cc1NCC(=O)NNC(=O)C(C)(C)C	727101568	WBQBPIMNMOPHFQ-UHFFFAOYSA-N	313.785	1.954	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNC(=O)c1cc2c(s1)CCC2	728311819	WHIDILYYIVUIMN-UHFFFAOYSA-N	318.402	1.580	50	20	DDGD	
CN1CCC(CNC(=S)NN(C)C(=O)OC(C)(C)C)CC1	495352943	PYQANKKHLVLDSJ-UHFFFAOYSA-N	316.471	1.574	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1	826648785	JZQSFNAMSMGIIC-GSVCSZOMSA-N	321.352	1.437	50	20	DDGD	
Cc1ccc([C@H]2CCCN2C(=O)c2cccc(B(O)O)c2)s1	584947138	HCSKFQSOMUGUHC-CQSZACIVSA-N	315.203	1.714	50	20	DDGD	
O=C(NN=Cc1ccccc1-c1nn[nH]n1)c1ccccc1F	826444491	JGHAGKWJFOELKV-UHFFFAOYSA-N	310.292	1.770	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1C[C@@H](c2cnn(C)c2)C(C)(C)C1	491085985	SPTJYDAIBINSDF-WONIAPNHSA-N	302.378	1.816	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)nc(N)n1	828367864	XSDAPUMSYYKVAJ-IUCAKERBSA-N	319.315	1.892	50	20	DDGD	
CS[C@H](C)CNC(=O)NNc1cccc(-c2nn[nH]n2)c1	826226363	YFZVKRPAHPINLW-MRVPVSSYSA-N	307.383	1.244	50	20	DDGD	
CC[C@@H](C(=O)NNc1ncccn1)N(C)C(=O)OC(C)(C)C	820935028	MQZNWQGOJPPSRU-JTQLQIEISA-N	309.370	1.565	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H](CC)N(C)C(=O)OC(C)(C)C	823950327	ICVWFHXQWREBOD-JTQLQIEISA-N	316.402	1.372	50	20	DDGD	
COc1ccc([C@@H](C)CCNCc2ccc(B(O)O)o2)cc1	585028612	LYMBPEFSTWXPRZ-LBPRGKRZSA-N	303.167	1.251	50	20	DDGD	
CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NNc1ccccn1	588391638	LWVGXBFNKBJHLY-DSDFTUOUSA-N	320.418	1.783	50	20	DDGD	
N#C/C(=C/c1ccc(-c2nn[nH]n2)s1)C(=O)N=c1cc[nH]cc1	826379359	PVUUKUPDJLVKBU-CLFYSBASSA-N	323.341	1.291	50	20	DDGD	
CC(C)(C)SCC(=O)NNc1cccc(-c2nn[nH]n2)c1	824123878	KZEKMVBCVDWDHQ-UHFFFAOYSA-N	306.395	1.842	50	20	DDGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2cn(C)nn2)cc1	490664603	SFSVPUVFQBIMHD-XFFZJAGNSA-N	310.317	1.319	50	20	DDGD	
CC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(B(O)O)cc1	584952081	LXWWZGYBJRPARY-KRWDZBQOSA-N	311.190	1.460	50	20	DDGD	
CC[C@@H](C)[C@@H](C)N(C(=O)c1ccc(B(O)O)c(F)c1)C1CC1	584940922	BLEFQINTXPMVMF-GHMZBOCLSA-N	307.174	1.545	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNC(=O)[C@@H](CC)c1ccccc1	732133170	RHKRPCVAUMJEHK-AAEUAGOBSA-N	305.378	1.242	50	20	DDGD	
N#Cc1cnc2c(F)cc(F)cc2c1N1CC[C@H](B(O)O)C1	585073892	PXAIBQQNZBTQTC-VIFPVBQESA-N	303.077	1.438	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)o1)[C@H]1Oc2ccccc2[C@H]1C	585025755	BWSBKHBPMBZDIV-GDLVEWKHSA-N	301.151	1.002	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@H](O)CC(C)(C)C1	832147348	FYFMUDQCBHOGCN-OLZOCXBDSA-N	313.442	1.051	50	20	DDGD	
CCOCCC1(CNCc2ccc(B(O)O)cc2F)CCC1	585028404	JIOVPYUTZCNAMH-UHFFFAOYSA-N	309.190	1.192	50	20	DDGD	
CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2ccc(B(O)O)cc2)C1	584930795	ROJXAKJPGTUDIV-WMLDXEAASA-N	301.195	1.407	50	20	DDGD	
CCCN(CC)C[C@H](C)NC(=O)NNC(=O)[C@H]1CCCCO1	836466521	HGUOZAATKXXGFV-QWHCGFSZSA-N	314.430	1.006	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(Cl)cc(Cl)n1	833779846	YXFRKFNLIVNTCN-SECBINFHSA-N	318.160	1.719	50	20	DDGD	
COc1ccc(C(=O)NN=CCCc2cnn(C)c2)c(OC)c1	834956351	WIPSIIZQBGDPSN-UHFFFAOYSA-N	316.361	1.786	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H]1C[C@H]1c1cncn1C	831712185	WWXPOCIXKIJIKN-VXGBXAGGSA-N	314.345	1.454	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@@]1(C)CCOC1	733347787	JKJSIVSKLZYSAU-OAHLLOKOSA-N	307.350	1.066	50	20	DDGD	
COCC1(CNC(=O)NNc2nccc(OC)n2)CCCC1	838722478	FKBRGIUTIGVZKT-UHFFFAOYSA-N	309.370	1.318	50	20	DDGD	
CCOCCNC(=S)NNC(=O)[C@@H](CC)c1ccccc1	731941219	PXUDDXRSFDTXDS-ZDUSSCGKSA-N	309.435	1.712	50	20	DDGD	
O=C(CNS(=O)(=O)CCl)OCc1ccccc1Cl	830515469	XLFCRKZXVPSBAF-UHFFFAOYSA-N	312.174	1.499	50	20	DDGD	
CN1CCC(C(=O)NNc2cc(C(F)(F)F)ccn2)CC1	832962772	KPZUGYBOUPFLHC-UHFFFAOYSA-N	302.300	1.885	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(S)n1)c1ccc(C)s1	730586868	KLQLMVQQJPUDCF-UHFFFAOYSA-N	322.415	1.924	50	20	DDGD	
O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1cc(B(O)O)ccc1F	584950409	KDTASZIOKLEFNR-SWLSCSKDSA-N	305.158	1.204	50	20	DDGD	
O=C(NN=C1CCC[C@H]1c1ccccc1)[C@H]1CCS(=O)(=O)C1	732527904	ACLFMBIZOPQNQP-KBPBESRZSA-N	320.414	1.861	50	20	DDGD	
Cc1noc(-c2ccc(NC(=O)NNC(=O)C(C)(C)C)cn2)n1	836734123	FREQVGUCPLXZBR-UHFFFAOYSA-N	318.337	1.639	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ncsc1Nc1ccccc1	910146012	BDIZHPWKPHKXJF-SNVBAGLBSA-N	306.391	1.844	50	20	DDGD	
CCOc1nc(C(F)(F)F)ccc1C(=O)NNc1nc[nH]n1	839769948	PGNOROZQSPQLHH-UHFFFAOYSA-N	316.243	1.374	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2ncc(C)o2)n1	834922132	XWFXNFYFFBZIPG-UHFFFAOYSA-N	305.363	1.632	50	20	DDGD	
COc1cc(CCC(=O)NNc2cccc([N+](=O)[O-])c2C)on1	830810647	RNDIHIPHEUGZAG-UHFFFAOYSA-N	320.305	1.976	50	20	DDGD	
COC(=O)[C@H](CC(C)(C)C)OC(=O)/C(C#N)=C/c1cnn(C)c1	837973001	ZFVRJXFHOZBRDA-UWUHSAQLSA-N	319.361	1.848	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1)c1cccnc1	916370299	BHDBTSNVTFZYJS-RDBSUJKOSA-N	318.421	1.667	50	20	DDGD	
CC(C)c1ccc(NNC(=O)NCCN2CCOCC2)cc1	837323669	RAUJNKGSJIKSRP-UHFFFAOYSA-N	306.410	1.768	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C[C@H]1CCOC1	740076132	UWRGUCNIWIOPGU-GFCCVEGCSA-N	306.362	1.202	50	20	DDGD	
CO[C@]1(C=NNC(=O)Cc2c[nH]c3ccccc23)CCOC1	841612077	FFNXJWSJQUMVJX-INIZCTEOSA-N	301.346	1.618	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)c1ncccn1)O[C@@H](C)C2	841663473	UOPQKZBKHCESAZ-JTQLQIEISA-N	312.329	1.573	50	20	DDGD	
Cc1cc2ncc(C(=O)NNc3cccc(C#N)c3)c(C)n2n1	748029895	YJNGNWWZPQOBIT-UHFFFAOYSA-N	306.329	1.975	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H](C)[C@@](C)(OC)C2CC2)n1	841589268	GBYIUTIPPFCKGR-ZUZCIYMTSA-N	308.382	1.920	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccnc(NC2CCC2)c1	911503401	SVDQZLIABXTCJZ-GWCFXTLKSA-N	318.377	1.232	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)Cn1nc(C)cc1C)[C@H]1CC1(C)C	842188936	AABFDDGTLMJQFK-OLZOCXBDSA-N	321.425	1.655	50	20	DDGD	
COCCONC(=O)NNc1cc(F)ccc1Br	840360777	CXSOGLRKIIXUFA-UHFFFAOYSA-N	322.134	1.792	50	20	DDGD	
N#CSCCCNS(=O)(=O)CCOCC1CCCC1	916999274	FFNLWMMBJGSEKC-UHFFFAOYSA-N	306.453	1.717	50	20	DDGD	
C[C@H]1CCCc2ncc(C(=O)NNC(=O)[C@H]3CCCCO3)n21	844551755	IHHANHODYASXPF-CMPLNLGQSA-N	306.366	1.111	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1c(Br)nnn1C	848083064	IMFRDKGTYXFKOL-UHFFFAOYSA-N	315.986	1.453	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)c1ccccc1O)c1ccco1	746771959	VVMHIJPCIPHLHU-LLVKDONJSA-N	319.317	1.317	50	20	DDGD	
CCC[C@@H](O)CC(=O)Nc1cccc(NC(=O)NN(C)C)c1	843870812	PHWGVWJOVWPLDX-CYBMUJFWSA-N	308.382	1.774	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1c[nH]c2ccc(F)cc12	747043029	WUTAEVPBIMAWLD-UHFFFAOYSA-N	302.309	1.380	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cnc3n2[C@H](C)CCC3)n1	844507821	WUTPHSSSAXBBKV-LLVKDONJSA-N	313.361	1.559	50	20	DDGD	
CN(C)C(=O)[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H]2Br)C1	910424203	LXZMRRGBZXMRNI-VDDIYKPWSA-N	303.200	1.097	50	20	DDGD	
Cc1cc(C=NNC(=O)C(=O)N2CCCC2)c(C)n1CC(C)C	748137631	PTRRSOLFSXDZTF-UHFFFAOYSA-N	318.421	1.833	50	20	DDGD	
O=C(NNc1cnccn1)[C@@H]1CCO[C@@H](c2ccccc2)O1	847755468	YINUCMDMEDAWRB-SWLSCSKDSA-N	300.318	1.424	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H]1CCN(Cc2ccccc2)C1	847402173	YVYJPFLHRCFNLS-AWEZNQCLSA-N	304.394	1.247	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2COCc3ccccc32)n1	842188978	BCSGHZJOJHOSPB-GFCCVEGCSA-N	315.333	1.383	50	20	DDGD	
COc1ccc2c(c1)c(C(=O)NNC(=O)C(C)C)c(C)n2C	843755556	HXGBYWRJFASUJL-UHFFFAOYSA-N	303.362	1.912	50	20	DDGD	
CCN1C[C@@H](CNC(=O)NNc2c(F)cccc2F)CC1=O	845493355	IKGFMQJSODSKKD-SECBINFHSA-N	312.320	1.459	50	20	DDGD	
NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1cc(C(F)(F)F)ccc1F	847609269	JISDLCVQFWRVKR-SFYZADRCSA-N	319.258	1.799	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)CCC1	842248423	YXQCSPBWZOJBEP-UHFFFAOYSA-N	310.285	1.093	50	20	DDGD	
CSSCCNC(=O)N1[C@H](C)C(=O)N(C)[C@@H](C)[C@H]1C	922390255	PTGRJBVYJYIISZ-IVZWLZJFSA-N	305.469	1.647	50	20	DDGD	
CC(C)c1nocc1C(=O)NNC(=O)c1ccc2c(c1)OCO2	858121659	KURMFTCUGZGKAZ-UHFFFAOYSA-N	317.301	1.602	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cc(O)cc(Br)c1	858284126	CDSANWFNTVNLME-UHFFFAOYSA-N	315.167	1.962	50	20	DDGD	
CS(=O)(=O)CCCCOC(=O)/C(C#N)=C/c1ccc(O)cc1	759899559	RYJYKEWVOHSUDB-JLHYYAGUSA-N	323.370	1.667	50	20	DDGD	
CN(CC(=O)NC[C@]1(C)C[C@@H]1Br)C(=O)C1CC1	857397032	IIVKAHIWZXBWDS-CABZTGNLSA-N	303.200	1.145	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)CCOc2ccccc2)[C@@H]1C	858918558	LGOOYGBUGSQTSW-IATRGZMQSA-N	320.389	1.662	50	20	DDGD	
Cc1cc(NNC(=O)NCc2nnnn2C2CC2)ccc1Cl	920823658	XTQPUKCVLKLDMZ-UHFFFAOYSA-N	321.772	1.796	50	20	DDGD	
COC(=O)CCc1c(C)nn(-c2ccc(C(=O)NN)cc2)c1C	921231796	DVLRIMYKGJJLHP-UHFFFAOYSA-N	316.361	1.198	50	20	DDGD	
O=C(NCc1nnnn1C1CC1)NNc1cc(F)ccc1F	920821384	GVXNVISAUJLDJP-UHFFFAOYSA-N	309.280	1.113	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)c2c(C)nn(C)c2C)cc1F	856231404	ZZKDZGXLFDXXSB-UHFFFAOYSA-N	304.325	1.810	50	20	DDGD	
C[C@@H]1SCCN(C(=O)NNC(=O)c2cccc(F)n2)[C@H]1C	852709773	FMWPQRARUFLUAE-IUCAKERBSA-N	312.370	1.401	50	20	DDGD	
C[C@]1(C(=O)N[C@H](CO)C[C@H]2CCCO2)C[C@@H]1Br	923738357	FGRDPCGZUMDURD-WYFGTUCQSA-N	306.200	1.206	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)c1ccccc1)C1CCCC1	851936106	VYOCQUNBUVOXIW-CQSZACIVSA-N	305.378	1.836	50	20	DDGD	
CC(C)CCO[C@H](C)C(=O)NNC(=S)N[C@H](C)C1CC1	855103819	ZXHBXQAVDBAEIY-GHMZBOCLSA-N	301.456	1.731	50	20	DDGD	
CC(=O)c1cccc(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	923098193	REVYSIWEDPXOIG-FZMZJTMJSA-N	319.361	1.145	50	20	DDGD	
CC(=O)N1CCC(C(=O)NC[C@]2(C)C[C@H]2Br)CC1	857403910	KJRMBQABQGRJMI-YPMHNXCESA-N	317.227	1.535	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)[C@H]1C	858158690	OXHHAQGFCNGATC-OHTBPHCPSA-N	319.405	1.573	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccc(Cl)c1)[C@H]1CCC(=O)N1	858132756	KAIBJICGQOLCQI-GZMMTYOYSA-N	309.753	1.016	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@@H](OC)C2CCCC2)n1	852656125	HEIHAZOOHNJETG-GFCCVEGCSA-N	308.382	1.922	50	20	DDGD	
CN(CC(=O)NNc1ncc(Cl)cn1)[C@@H]1CCSC1	857357549	VUWAXNUVVMQWDK-SECBINFHSA-N	301.803	1.010	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccn(C2CCCC2)n1)C1CC1	855098884	NMGCDGCTCNNWIA-JTQLQIEISA-N	321.450	1.906	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=CC2CCOCC2)C[C@@H](C)O1	755588266	OXRKVUGMQCZUCQ-MELADBBJSA-N	311.426	1.260	50	20	DDGD	
CC(C)O[C@]1(CS(=O)(=O)N2CC=C(C#N)CC2)CCOC1	851777245	MNOVHURRGUXDLU-CQSZACIVSA-N	314.407	1.056	50	20	DDGD	
Cc1ccc2c(C=NNC(=O)C(=O)Nc3ccccn3)c[nH]c2c1	758388387	APOQPJFDUBOTHE-UHFFFAOYSA-N	321.340	1.960	50	20	DDGD	
CCCN1CCC(NC(=O)NNc2ncc(Cl)cn2)CC1	856870078	NAUOKADLYAJFBD-UHFFFAOYSA-N	312.805	1.631	50	20	DDGD	
C[C@H](CC(=O)NNc1cc(Cl)nc(N)n1)c1ccncc1	753456730	BOPYDCHBABJSNS-MRVPVSSYSA-N	306.757	1.744	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2cnn3ccccc23)n1	753457613	NOQQXKCXMYZBTQ-UHFFFAOYSA-N	303.713	1.117	50	20	DDGD	
CC[C@H]1CC(=NNC(=O)[C@H]2COc3ccccc3O2)CCO1	756821523	VGEZNFGGMWPYMZ-SWLSCSKDSA-N	304.346	1.888	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CCOC1	754272644	WYCSFWRDMDPUSI-INIZCTEOSA-N	314.345	1.060	50	20	DDGD	
CCOC(=O)NC1CCC(=NNC(=O)N=c2cc[nH]cc2)CC1	853352605	BHHLPOJTRVKDQP-UHFFFAOYSA-N	319.365	1.670	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NNc1ccc([N+](=O)[O-])cc1F	855621089	JWTKHOYLDKNBPM-UHFFFAOYSA-N	319.314	1.002	50	20	DDGD	
N[C@@H]1Cc2ccccc2N(S(=O)(=O)CBr)C1	850588440	GRVJEYCQXUPEOK-SECBINFHSA-N	305.197	1.059	50	20	DDGD	
CC(C)COc1ccccc1NC(=O)NNC(=O)c1cn[nH]c1	860488005	IIJQATFELPOYDS-UHFFFAOYSA-N	317.349	1.911	50	20	DDGD	
COCCOc1ccc(NC(=O)NNc2cccc(C)n2)cn1	860452488	YMDMAFPWQJFUTC-UHFFFAOYSA-N	317.349	1.959	50	20	DDGD	
CC1(c2ncc(C(=O)NNc3ccccn3)s2)OCCO1	860627292	BVQWMSRLZJHRDR-UHFFFAOYSA-N	306.347	1.515	50	20	DDGD	
CN1CCC(=NNC(=O)CCSc2ccc(F)cc2)C1=O	761767898	WUJRYUKYIPTXTR-UHFFFAOYSA-N	309.366	1.642	50	20	DDGD	
Cn1cc([N+](=O)[O-])cc1C(=O)NNc1cc(C#N)cc(Cl)n1	769076065	QOFHQQNNQPEUMC-UHFFFAOYSA-N	320.696	1.610	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CC[C@@H](C3CC3)C2)cc1	764488576	WOJXWIKGVQSEPN-OAHLLOKOSA-N	301.390	1.488	50	20	DDGD	
CN(C(=O)OC(C)(C)C)C1(C(=O)NNc2cccnn2)CCC1	860751860	IMXJBQJKEWGOND-UHFFFAOYSA-N	321.381	1.709	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccccc2F)nc1Cl	766338555	ONDTYMALBNXJLP-UHFFFAOYSA-N	323.711	1.958	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNC(=O)Cc1cccnc1	764155996	KQXJWHIJGOCCLJ-SNVBAGLBSA-N	315.377	1.305	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1c[nH]nc1C(=O)OC(C)(C)C	862071158	QESPUVIENLNWFI-CMDGGOBGSA-N	306.322	1.747	50	20	DDGD	
CCn1c(O)nc2cc(C(=O)NN[C@H](C)C(F)(F)F)ccc21	862321839	FRYXYNRXSCBTMZ-SSDOTTSWSA-N	316.283	1.947	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cccnc1N1CCCC1	762079554	CWDLMRZBDCHSTF-UHFFFAOYSA-N	302.313	1.368	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccc(Cl)c(OC)c2)cn1	867906120	JALYBRYFLDVFOY-UHFFFAOYSA-N	324.768	1.948	50	20	DDGD	
Cc1cc(NNC(=O)[C@@]2(C)COc3ccccc3O2)nc(C)n1	863881161	KTFHNNLKLSWJSM-MRXNPFEDSA-N	314.345	1.767	50	20	DDGD	
CC(C)(C)c1csc(NC(=O)c2cc(B(O)O)ccc2F)n1	863885634	MLTWSTVAFUDSPT-UHFFFAOYSA-N	322.170	1.512	50	20	DDGD	
O=C(Cc1ccco1)NNC(=O)c1cccc(OC(F)F)c1	765406981	WZYDTDVMLRFGHX-UHFFFAOYSA-N	310.256	1.885	50	20	DDGD	
CCCC1(C(=O)NNc2nccc(N3CCOCC3)n2)CC1	762850075	CPMFRCNOYHQJKJ-UHFFFAOYSA-N	305.382	1.337	50	20	DDGD	
COCCOC[C@H](C)NC(=O)[C@H](Br)C(C)(C)C	768188938	WFHMBZRYOAHIEK-UWVGGRQHSA-N	310.232	1.964	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O)C(F)(F)F	862322558	NNHSHMLCVCHBGJ-AXFHLTTASA-N	321.343	1.739	50	20	DDGD	
COC[C@H]1CCCCN([C@@H](C)C(=O)NNC(=O)CC(C)C)C1	767940769	MFDFRQBRWJAQEO-KBPBESRZSA-N	313.442	1.317	50	20	DDGD	
OB(O)c1ccc(CNc2ccc(OC(F)F)cc2F)cc1	864035614	CVFIQEGSZQGBEH-UHFFFAOYSA-N	311.068	1.719	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc2nc(C)c(C)nc2c1	764484220	NLQYATLZPOMXEY-UHFFFAOYSA-N	324.344	1.802	50	20	DDGD	
COC(=O)NNC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1	877999809	IYOJQWGXZFZFPO-UHFFFAOYSA-N	322.361	1.903	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc2c(c1)NC(=O)CS2	878090745	JICPCPFPBFAAOL-UHFFFAOYSA-N	310.379	1.346	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@]2(C)CCCNC2)cc1	1117967383	WLBOMNNOIUQLBR-MRXNPFEDSA-N	320.393	1.029	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNC(=O)CC(F)(F)F	878344435	CRMDXLRXPLFFHE-QUBYGPBYSA-N	304.272	1.175	50	20	DDGD	
CCN(CC(C)C)C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1118819741	LAPMWMRBIAYLPZ-GXFFZTMASA-N	319.243	1.781	50	20	DDGD	
CC(C)C[C@@H]1OCCC[C@@H]1NCC(=O)NNC(=O)C(C)(C)C	775871690	IAJLQCGZJYQKGW-STQMWFEESA-N	313.442	1.363	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C2CCOCC2)cn2ccnc12	879666119	UVZSMISUECMTHI-UHFFFAOYSA-N	317.349	1.222	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@@H]1CCC[C@@H]1c1ccccc1	879085637	GBJZPEDHWFWJJB-NWANDNLSSA-N	303.406	1.858	50	20	DDGD	
CC[C@@](C)(CC(=O)O)C(=O)NNC(=O)c1cc2c(s1)CCC2	872832299	ZQSZNJAWQUAKJI-HNNXBMFYSA-N	324.402	1.889	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cccc(OC(C)(C)C)c1	872363426	DYLGXEMDDNWIMQ-UHFFFAOYSA-N	307.350	1.670	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)CCCCN2CCCC2)n1	773862953	ZRGWGNMGORNFPQ-UHFFFAOYSA-N	312.805	1.421	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NNc1cc(Cl)ccc1F	871271592	RKWHGBZKEJWYIY-JTQLQIEISA-N	315.776	1.891	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H]1CCO[C@H](C)C1	776340269	YGYJOKJYBGTGNZ-PWSUYJOCSA-N	316.361	1.219	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)c2cccnc2)c(C)nc1C	777088701	RRPTVDQYHXMVQJ-UHFFFAOYSA-N	312.329	1.371	50	20	DDGD	
C[S@@](=O)c1cccc(C(=O)NN=c2cc[nH]cc2Cl)c1	771478347	NBDBUAKKKBKJMS-HXUWFJFHSA-N	309.778	1.651	50	20	DDGD	
COC(=O)[C@@H](C)OCc1cn(/C=C/CBr)nn1	881295179	MXBNZEWZEUOFRB-RYEJSQLPSA-N	304.144	1.222	50	20	DDGD	
C=Cc1ccccc1NC(=O)NNC(=O)[C@H](C)OCCOC	880208884	XKKNNEYBFUSUIX-NSHDSACASA-N	307.350	1.534	50	20	DDGD	
Cn1cncc1CCNC(=O)[C@H](Br)C(C)(C)C	773850535	BHZDWSDKGWXSJU-JTQLQIEISA-N	302.216	1.888	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccc2nc(O)[nH]c2n1	773927530	CBPZWUHDKPYZPD-UHFFFAOYSA-N	314.261	1.329	50	20	DDGD	
COc1ccc2c(c1)OC[C@H](C(=O)NCCCSC#N)C2	773584280	DFGDATKUBIDIMQ-GFCCVEGCSA-N	306.387	1.967	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccc3cccnn23)c1	781037053	GVTZMVGIQNXKBF-UHFFFAOYSA-N	310.313	1.878	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1csc(Cl)c1	787151579	HURVGIJWPAWGPC-QMMMGPOBSA-N	320.823	1.676	50	20	DDGD	
O=S(=O)(CBr)NCC1Cc2ccccc2C1	782444081	FZNVNXRRJFDGKJ-UHFFFAOYSA-N	304.209	1.673	50	20	DDGD	
CCN(CC)C(=O)c1ccccc1NC(=O)NNC(=O)C(C)C	782564030	NIIMKJZJKWDDHB-UHFFFAOYSA-N	320.393	1.977	50	20	DDGD	
CN(C)C(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)CCCCCl)C1	780777226	UGFGMIIQCVPYQA-VXGBXAGGSA-N	324.874	1.572	50	20	DDGD	
COC(=O)Cc1ccccc1OS(=O)(=O)CBr	782458152	QPUZCJBLCWGFPZ-UHFFFAOYSA-N	323.164	1.463	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(OC)cc1OCC1CC1	788502832	YXODHGKGCCKZFG-UHFFFAOYSA-N	307.350	1.448	50	20	DDGD	
CC(C)[C@H](OC(=O)/C(C#N)=C/C1CC1)C(=O)N1CCOCC1	786671727	WEEFJAKABOFMIZ-SSUFTNFISA-N	306.362	1.273	50	20	DDGD	
CCC[C@@H](CNS(=O)(=O)CBr)C(=O)OCC	788711186	UMIYHZWJJIZXJS-QMMMGPOBSA-N	316.217	1.238	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)cc1F)[C@@H]1CCS(=O)(=O)C1	783515046	VSBSDMYQGNVDHL-SECBINFHSA-N	318.757	1.364	50	20	DDGD	
NC(=O)CN1CCC[C@H](NC(=O)c2cccc(CCl)c2)C1	1120605793	VRGDHNYCHKCIBP-ZDUSSCGKSA-N	309.797	1.105	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)C1CCN(C2CC2)CC1	787585079	BCQMSSTZKIKZHT-UHFFFAOYSA-N	303.410	1.918	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)N[C@H](C)Cc2ccccc2)n[nH]1	786087476	WUTXLAQQTRMPGF-SNVBAGLBSA-N	317.418	1.458	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cnc(-c2ccco2)s1	782243216	QUZAXNNTGLBLNA-SNVBAGLBSA-N	323.374	1.905	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)CCCc2ccccc2)C(=O)O1	896340544	YOSUFSMATWOMRH-AAEUAGOBSA-N	319.361	1.044	50	20	DDGD	
CCN1CCC(CNC(=O)NNc2cccc(OC)n2)CC1	780027286	QZBLMEOCBFSVEG-UHFFFAOYSA-N	307.398	1.448	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc(-c2cc[nH]n2)c1	785863335	CYVYFEIGIPQCBW-UHFFFAOYSA-N	302.338	1.775	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccc(OCC(=O)OC)cc1	782178510	BVOROIGPJAHXKV-LCYFTJDESA-N	319.313	1.335	50	20	DDGD	
CC(=O)NC1CCC(N(C)S(=O)(=O)CCCCCl)CC1	780837464	RCJFWQMWSXFMCY-UHFFFAOYSA-N	324.874	1.714	50	20	DDGD	
COC[C@H](C)NC(=O)NNC(=O)COc1cc(C)ccc1C	890158477	HRSFGAYKVKBCKX-LBPRGKRZSA-N	309.366	1.048	50	20	DDGD	
CC[C@@H]1C[C@H](CC(=O)NNC(=O)c2cccc(C#N)c2)CCO1	781646853	PPKKCWLURCRHNG-IUODEOHRSA-N	315.373	1.915	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](COc2ccccc2)C1	780374085	MNLNQCMONDKCCZ-UONOGXRCSA-N	319.405	1.333	50	20	DDGD	
CCc1ccccc1OCCC(=O)NNC(=O)N1CCOCC1	795819472	OIOKLSMNBVUOBC-UHFFFAOYSA-N	321.377	1.091	50	20	DDGD	
CCOc1nc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])co1	791075178	CBQCUFUMJIRQFW-UHFFFAOYSA-N	310.241	1.878	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)c2cccc(C)n2)on1	793050509	ASIWYCQSVYAICJ-UHFFFAOYSA-N	302.290	1.319	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)o1	794331930	SNZGHSIOKYXJEC-UHFFFAOYSA-N	321.296	1.412	50	20	DDGD	
Cc1cccnc1NNC(=O)CN1CCc2ccccc2C1=O	790061000	MLRQZNGJHZVFIC-UHFFFAOYSA-N	310.357	1.532	50	20	DDGD	
Cc1cncc(CCC(=O)NNC(=S)N[C@@H](C)C2CC2)c1	794372185	BRKUMMTUNNMVCR-NSHDSACASA-N	306.435	1.616	50	20	DDGD	
Cn1c(NNC(=O)[C@@H]2CCC(F)(F)C2)nc2ccccc2c1=O	795098760	AVSMXXCXHZDHCG-SECBINFHSA-N	322.315	1.812	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1cccc(N2CCC2=O)c1	790577145	RRVVTSJJDFXZPX-UHFFFAOYSA-N	316.296	1.501	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)c1ccnn1CC(F)F	790665748	MEVQAQYSGRZSDS-UHFFFAOYSA-N	317.299	1.875	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)CNc1ccc(OC)cc1	794907107	OUZKXNMPDCTXBT-NHYWBVRUSA-N	323.393	1.316	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)c2ccc(F)c(F)c2)n[nH]1	1319580339	YORDERAXHDXDRN-QMMMGPOBSA-N	308.288	1.561	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cn(C)cc1C(F)(F)F	1329541061	WTPXTLWXRJOCKV-SFYZADRCSA-N	319.283	1.230	50	20	DDGD	
O=C(COc1ccc(Cl)cc1Cl)N1CC[C@H](B(O)O)C1	585071153	NPRIQZGYSNLVDL-QMMMGPOBSA-N	317.965	1.448	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)Nc2cnn(C(F)F)c2)cc1	1320690972	KXFZJNNYNOSPQO-UHFFFAOYSA-N	320.259	1.232	50	20	DDGD	
C[C@@H](O)c1ncc(C=NNC(=O)c2n[nH]c3c2CCCC3)s1	1320848444	NNUSNFYRJNUVIO-MRVPVSSYSA-N	319.390	1.562	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H](C(C)C)N1CCCCC1	1326564276	YPZMVBDTLREGOR-LBPRGKRZSA-N	300.472	1.401	50	20	DDGD	
Cc1nc(O)ccc1C(=O)NNC(=O)c1ccccc1Cl	1335136846	YDZMQVRTUGJWRN-UHFFFAOYSA-N	305.721	1.824	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc(Cn2ccnc2)cc1	1337469264	YURQOHXWKQHGRV-UHFFFAOYSA-N	317.418	1.449	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CC(=O)NNC(=O)[C@H]1CCCCO1	1337302293	ZZXDJNBZQIXIGU-BXKDBHETSA-N	309.366	1.502	50	20	DDGD	
CCOC(=O)NCCC(=O)OC[C@]1(C)C[C@@H]1Br	1263537508	SDNOPWIZISWIHZ-KWQFWETISA-N	308.172	1.839	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)C[C@@H]1Br	1341970682	CETWZQMKNKWYPS-TYCYOEEFSA-N	303.200	1.779	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H]2CCCCN2C)c1	1346438012	WOWUCOAQLIGMCP-CQSZACIVSA-N	320.393	1.584	50	20	DDGD	
N#Cc1ccc(NNC(=O)CCSCC(=O)O)cc1Cl	1601107808	LKJJVGIAHJOEEY-UHFFFAOYSA-N	313.766	1.863	50	20	DDGD	
CC1CCN(C(=O)C(=O)NNc2ccc(F)c(C(=O)O)c2)CC1	1604742309	UOVMOHLKHHPOGD-UHFFFAOYSA-N	323.324	1.226	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2nc(O)c3ccccc3n2)[nH]1	1602324722	ZMEFPAXLBRMIBG-UHFFFAOYSA-N	313.273	1.119	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNc2ccc(C(=O)O)cc2F)nn1	1609672355	GQEAORJSINXVLL-UHFFFAOYSA-N	321.312	1.627	50	20	DDGD	
COc1cc(C=NNC(=O)NCC(=O)O)ccc1OC(C)C	1607153619	SIZKNRCQVROWTI-UHFFFAOYSA-N	309.322	1.200	50	20	DDGD	
Cn1c(NNC(=O)[C@](C)(C#N)CC(=O)O)nc2ccccc21	1605473087	CHAWJYMEWOYMRO-AWEZNQCLSA-N	301.306	1.021	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NNc1cccc(F)c1C(=O)O	1600994457	RWHZIBBQLUHNOF-RKDXNWHRSA-N	318.308	1.504	50	20	DDGD	
O=C(NNc1cccc(F)n1)N[C@H]1C[C@H]2C[C@@H](C(=O)O)C[C@@H]12	1601560953	HUMVMVLGTWZCRU-KYXWUPHJSA-N	308.313	1.346	50	20	DDGD	
C[C@@H]1C[C@@H]1c1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)o1	1549316823	IGXOLKGJDDRFKM-DSPQJCBJSA-N	317.389	1.716	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C(=O)NN=Cc1cncs1	1549309382	IELVHWHXNMKOAS-NWDGAFQWSA-N	319.390	1.495	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)CC1(N)CC1	1578265776	KIDQGVAQHSSQJZ-UHFFFAOYSA-N	306.435	1.756	50	20	DDGD	
NC[C@@H]1CCCc2ccc(C(=O)NNC(=O)CC3CC3)cc21	1580264042	BPOUWKKIWLDKFK-AWEZNQCLSA-N	301.390	1.626	50	20	DDGD	
O=C(NNc1cc(O)nc2ncccc12)[C@@]12CCC[C@@H]1NCC2	1580737674	VFLYTUMUYLVQIP-BLLLJJGKSA-N	313.361	1.311	50	20	DDGD	
N[C@H](Cc1ccccc1)C(=O)NNCC(F)(F)C(F)(F)F	1580409379	OIAZXBUGGLLALA-SECBINFHSA-N	311.254	1.375	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cc(C(=O)O)co2)cc1	1599593944	HTZNFYFRQCKRNU-UHFFFAOYSA-N	319.273	1.453	50	20	DDGD	
CC(C)OCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(Cl)Cl	1847338088	QVKYAXKGCOAZBV-UWVGGRQHSA-N	323.220	1.417	50	20	DDGD	
C[C@@H](CC(=O)O)CC(=O)NN=c1sc2ccccc2n1C	1592391624	NYTJRRXONYAKPW-SECBINFHSA-N	307.375	1.673	50	20	DDGD	
CCCC[C@H](NNC(=O)COc1ccccc1C#N)C(=O)O	1595641190	TUKZIUWLWRZOTN-LBPRGKRZSA-N	305.334	1.201	50	20	DDGD	
O=C([C@H]1CCCOC1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843367568	NFJSBPIFDCOOCQ-QWRGUYRKSA-N	318.776	1.151	50	20	DDGD	
CCO[C@H]1COCC[C@H]1CC(=O)NNc1ccccc1C(=O)O	1596855912	XMVPKWDEKMAOPJ-FZMZJTMJSA-N	322.361	1.660	50	20	DDGD	
CC(C)c1ccc2c(c1)C(=NNC(=O)NCC(=O)O)CCO2	1591974035	ORWNKLRBHNNTNB-UHFFFAOYSA-N	305.334	1.680	50	20	DDGD	
COc1nccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)O)cc2)n1	1776129088	KKCLWAZHYHOHSO-FLIBITNWSA-N	324.296	1.729	50	20	DDGD	
CC(=O)NC1(c2ccc(NC(=O)[C@@H](O)CCl)cc2)CCC1	1786133839	WNSCWZUSWKSTSN-ZDUSSCGKSA-N	310.781	1.740	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)Cc2ccccc2C)cc1	14562434	OSPLBQGVABJTRD-UHFFFAOYSA-N	312.369	1.936	50	20	DDGD	
O=C(COc1ccccc1O)NNc1ccccc1[N+](=O)[O-]	15504381	YFRNNYTXHMCMNY-UHFFFAOYSA-N	303.274	1.823	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H](C)Cc2c(C)noc2C)n1	162447966	HBPHQRZHMMLMCN-MRVPVSSYSA-N	320.353	1.347	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@@H](Cc1ccccc1)C(C)C	158859066	OXUFSLMLZHSHLW-AWEZNQCLSA-N	319.405	1.173	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cc(-c2ccccc2)on1)N(C)C	160493982	KGIZDGXHXYCQJY-ZDUSSCGKSA-N	316.361	1.443	50	20	DDGD	
CN(C)C(=O)NNC(=O)Cc1cccc(OC(F)(F)F)c1	163797302	UATKFGZQNYRYKV-UHFFFAOYSA-N	305.256	1.430	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)Cn1cc(C2CC2)nn1	152168214	JUNKHXRBVZAYCG-UHFFFAOYSA-N	318.289	1.678	50	20	DDGD	
CC(C)N(C)c1ccc(NC(=O)NNC(=O)CCO)cc1F	155763265	IOLNOTIXHDRJSW-UHFFFAOYSA-N	312.345	1.205	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)C[C@H]2CCc3ccccc32)nn1	154310841	DPKHNMVPHNIEOT-LLVKDONJSA-N	311.345	1.139	50	20	DDGD	
COc1ccc(NNC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)nc1	159366670	VMQOPSNLKZUECF-FOSCPWQOSA-N	303.362	1.929	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)OC(C)(C)C	67126123	ZFCZDCFPOFILMF-MRVPVSSYSA-N	303.359	1.456	50	20	DDGD	
CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NCC(Cl)Cl	816604634	QZYTWWUVBOOYTC-LURJTMIESA-N	309.115	1.609	50	20	DDGD	
O=C(NNC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cccnc1	6633411	HWLYCKHWEXQCLZ-UHFFFAOYSA-N	317.330	1.621	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)c2c[nH]nc2C)c(C)c1	109996148	YIRUFBJULDTHLK-UHFFFAOYSA-N	316.361	1.565	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NC[C@@H]2CCCO2)cc1	55088555	DVMGSXKPBXCDMK-AWEZNQCLSA-N	321.377	1.137	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCOc1cccc(F)c1	103178816	BINDCNUSJHYBLL-UHFFFAOYSA-N	311.357	1.971	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccc(F)cc2F)c1	103402587	IRASWLSEBOSGPZ-UHFFFAOYSA-N	301.252	1.911	50	20	DDGD	
Cc1cc(NNC(=O)Cc2cccc([N+](=O)[O-])c2C)ncn1	178819101	HDFKXZWBPMXCSZ-UHFFFAOYSA-N	301.306	1.687	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1cnn(CC)c1	114536521	OOLXZUSBYVKQIH-UHFFFAOYSA-N	316.361	1.305	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(C)CC(=O)OC)cc1	63732221	ZBWWTJZBPWMGHJ-LCYFTJDESA-N	302.330	1.624	50	20	DDGD	
C=C1c2ccccc2C(=O)N1CC(=O)NNC(=O)c1ccccc1	21995132	ZXRLAXAFIGZLHT-UHFFFAOYSA-N	321.336	1.574	50	20	DDGD	
CCCCNC(=S)NNC(=O)c1nnc(-c2ccccc2)o1	63793912	YNUHKKIBDULMFL-UHFFFAOYSA-N	319.390	1.646	50	20	DDGD	
NC(=O)N1CCC[C@H]1C(=O)NNc1ccc(Cl)cc1Cl	178885728	AMXMNJBCNUGSGB-JTQLQIEISA-N	317.176	1.980	50	20	DDGD	
CSC[C@@H](C)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	66817208	LGBSNXNLGFINIH-ZJUUUORDSA-N	314.382	1.740	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1Cl	112882570	SGVCOFADQNXQQB-MRVPVSSYSA-N	317.748	1.987	50	20	DDGD	
C[C@H](Oc1ccccc1)C(=O)NNC(=O)Cc1ccc(F)cc1	24302721	WHABWSBYEUWALR-LBPRGKRZSA-N	316.332	1.983	50	20	DDGD	
CC(=O)NCc1ccc(C(=O)NNC(=O)c2ccc(C)o2)cc1	175829887	UUGRUADNUIJHOS-UHFFFAOYSA-N	315.329	1.299	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NC2CC2)cnn1-c1ccc(F)cc1	64427734	WXGPGIPDYTWBSQ-UHFFFAOYSA-N	317.324	1.426	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CNC(=O)CCC(C)C)c(O)c1	67155136	MRYNAQUQVGAFNB-UHFFFAOYSA-N	321.377	1.014	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)Cc1ccccc1F)N(C)C1CC1	66978503	MZCUBMDUFCYJJU-NSHDSACASA-N	322.384	1.181	50	20	DDGD	
C=CCC[C@H](C(=O)NNC(=O)C(=O)NC1CC1)c1ccccc1	188993277	FPPJHNXSEJCBLU-AWEZNQCLSA-N	315.373	1.162	50	20	DDGD	
CC#CCCCC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	184980461	RTLYNYXEPXHSNN-LBPRGKRZSA-N	306.337	1.934	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)Nc1ccc2ccccc2c1	186406373	JEEOJJUKMJUNAS-UHFFFAOYSA-N	309.329	1.958	50	20	DDGD	
CCCOc1ccc(NC(=O)C(=O)NNc2ccccn2)cc1	181419653	SMUIGUTWXVYXDZ-UHFFFAOYSA-N	314.345	1.952	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2cccs2)n[nH]1)Nc1ccon1	183569663	BWHMJADATVOVOK-UHFFFAOYSA-N	318.318	1.593	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)[C@H]1Cc2ccccc2O1	73302481	IDIQJXWSQNOGCE-OAHLLOKOSA-N	311.341	1.250	50	20	DDGD	
Cc1cccc(NNC(=O)Cn2c(=O)cnc3ccccc32)c1	72514261	AAMIEDIBGIJKII-UHFFFAOYSA-N	308.341	1.848	50	20	DDGD	
CCc1ncsc1C(=O)NNC(=O)Cc1ccccc1F	120101728	WNSVUJRLROPNJS-UHFFFAOYSA-N	307.350	1.848	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1cccnc1Cl	78193011	KIBHXPWOBLYVIP-UHFFFAOYSA-N	319.748	1.713	50	20	DDGD	
O=C(NNC(=O)c1ccc(CN2CCCCC2)cc1)NC1CC1	138638804	NXWDAHWNLPILAL-UHFFFAOYSA-N	316.405	1.779	50	20	DDGD	
CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NNc1cnccn1	133290520	FDUFAKBCUDAHAN-NSHDSACASA-N	305.382	1.347	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)c2ccc(C#N)cc2)cc1	48089366	YVXUKJMHBAIKAO-UHFFFAOYSA-N	315.354	1.490	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(Br)cc1F	48469752	QUALYRIKEHMGDO-UHFFFAOYSA-N	306.091	1.981	50	20	DDGD	
CSCc1noc(CCC(=O)NNC(=O)c2ccc(C)o2)n1	131791829	JCRRPJNXBRAENG-UHFFFAOYSA-N	324.362	1.228	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)C(C)(C)O)c1cccc(Cl)c1	192924424	FPYDOEKRZOCXIE-GFCCVEGCSA-N	312.797	1.998	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](C)C(C)(C)CN(C)C)o1	85366488	VEUDWPCDOHYOMC-NSHDSACASA-N	310.398	1.508	50	20	DDGD	
CCc1ccc(CCC(=O)NNC(=O)N2CCOCC2)cc1	194905100	XCXHSZTUAFOSKA-UHFFFAOYSA-N	305.378	1.255	50	20	DDGD	
O=C(C[C@@H]1CCCO1)NNC(=O)NCc1ccc(Cl)cc1	191615376	BOVMCDNSCSPMSO-LBPRGKRZSA-N	311.769	1.740	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCCc1c[nH]c2ccccc12	190047268	IZMUMSBBEJXDEF-UHFFFAOYSA-N	303.362	1.409	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(-n2ccnc2)nc1	142563826	ASTGHEZSZAVFGP-UHFFFAOYSA-N	302.338	1.011	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cnn(C(C)C)c1C	92442057	RMKQURYYNOREQF-UHFFFAOYSA-N	316.361	1.856	50	20	DDGD	
CC1CC(NC(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)C1	267998908	IGRATIVTCVJDGH-SQLBVSGCSA-N	309.341	1.722	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc3c(s2)CCOC3)n1	264223310	WOEJPXNFNZYULD-UHFFFAOYSA-N	306.347	1.376	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCC(C)(C)C[C@H](C)O	266786311	RZDCHCKICSJCHH-NSHDSACASA-N	323.393	1.436	50	20	DDGD	
CC[C@H]1CCCCN1CC(=O)NNC(=O)c1ccc(F)cc1	267934291	HIFHORPNROZLNG-AWEZNQCLSA-N	307.369	1.851	50	20	DDGD	
Cc1nc(CCCC(=O)NNC(=O)c2ccccn2)cs1	267499352	YNUJFFVNBFAFOE-UHFFFAOYSA-N	304.375	1.630	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCc2ccc(N(C)C)cc2)[nH]n1	269081357	WJCGJDBJAGUWIC-UHFFFAOYSA-N	315.377	1.178	50	20	DDGD	
C=C(CBr)CN1CC[C@H](CN2CCOCC2)C1	369105530	ZXGWTGPPMZXUQW-CYBMUJFWSA-N	303.244	1.592	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H](CO)CC(C)(C)C	272500225	XBNDRDILZPMLQR-NSHDSACASA-N	323.393	1.436	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@@H]1OC[C@@H]2CCC[C@@H]21	368126345	SEIRHRAHVLZVOB-SGMGOOAPSA-N	302.378	2.002	50	20	DDGD	
CO[C@@H]1CCCC[C@@H]1NC(=O)NNc1nc2ccccn2n1	276907925	OMFKUSOWEFTZPV-WDEREUQCSA-N	304.354	1.313	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NNc2ncnc3ccsc23)C1	278473226	UGXGHJGLZOQZTP-SECBINFHSA-N	319.390	1.393	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)c2cnn(C)c2)c1CC	277057387	RAANOAJETRMQAL-UHFFFAOYSA-N	318.381	1.054	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(C#N)cc2)CCO1	271302381	UWGRDIIKHJNVEH-GWCFXTLKSA-N	302.334	1.070	50	20	DDGD	
CCOC(CCNC(=O)NNc1ccc(Cl)nn1)OCC	276402986	SWENSMCXSGITBQ-UHFFFAOYSA-N	317.777	1.545	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H]2CCCCN2C2CC2)nn1	277954023	XWLXJPYQPCRRBM-ZDUSSCGKSA-N	304.398	1.428	50	20	DDGD	
CC[C@@]1(C(=O)NNc2nc(-c3cccnc3)no2)CCCN1	274681500	ZZHAUCBFQWGLIL-AWEZNQCLSA-N	302.338	1.107	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCc2ccccc2[C@@H]1CO	275760113	KJIXAVGAKDVZHB-AWEZNQCLSA-N	317.838	1.927	50	20	DDGD	
Cc1nc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)sc1C	279503599	ZNIBYVNUMPJIEG-UHFFFAOYSA-N	314.367	1.254	50	20	DDGD	
COCCOc1cccc(C(=O)NNc2cccc(OC)n2)c1	272536153	NYXYAAPFQLJYCX-UHFFFAOYSA-N	317.345	1.872	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCS[C@H](C)[C@@H]2C)n1	279641636	JITLTRBOJUEOCX-WDEREUQCSA-N	308.407	1.570	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2cc(F)c(F)c(F)c2)CC1	273755167	XKJJFRDKMSJNQB-UHFFFAOYSA-N	302.277	1.948	50	20	DDGD	
COc1cccc2[nH]cc(CC(=O)NNC(=O)NC3CC3)c12	272452676	QSDRRORSSKXCRU-UHFFFAOYSA-N	302.334	1.212	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)c2ccc[nH]2)CCO[C@H]1C1CC1	375111098	NXMJARDEHHKOPH-WFASDCNBSA-N	306.366	1.164	50	20	DDGD	
CCc1ccc2occ(C(=O)NNC(=O)C(=O)NC(C)C)c2c1	284906130	HODCLVMYJYDQKL-UHFFFAOYSA-N	317.345	1.281	50	20	DDGD	
CC(C)Oc1ccc(NC(=O)NNC(=O)C2CC2)cc1C(N)=O	280392553	ARPPAVFYCJFKIR-UHFFFAOYSA-N	320.349	1.135	50	20	DDGD	
COc1cccc(NNC(=O)NCc2cnc3n2CCCC3)n1	375124441	BPZCXIARNGISME-UHFFFAOYSA-N	316.365	1.449	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccccc1NC(C)(C)C	281403915	JDAXIWSTUIYSSS-UHFFFAOYSA-N	308.338	1.223	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H]1C(=O)NNc1nc(-c2ccccc2)no1	285787233	FEPDBDYGLWXSEW-QWRGUYRKSA-N	316.317	1.379	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(-n2ccnc2)nn1)c1ccc[nH]1	805238626	UVIRJWKCAIHJID-SNVBAGLBSA-N	312.337	1.378	50	20	DDGD	
COCc1cccc(NC(=O)C(=O)NNc2cccc(F)n2)c1	807391150	YHULOYBQYIRFEP-UHFFFAOYSA-N	318.308	1.449	50	20	DDGD	
O=C(Cc1ccccc1)NCC(=O)NNc1ncccc1F	804215393	OUCRJNHBIDWDEP-UHFFFAOYSA-N	302.309	1.023	50	20	DDGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1cn(C)nn1	808390497	WJIDOVYWPRFXHB-UHFFFAOYSA-N	318.406	1.570	50	20	DDGD	
CCOC(=O)COCCNC(=O)NNc1ccccc1Cl	297301421	AICYUHAXQOSPBS-UHFFFAOYSA-N	315.757	1.546	50	20	DDGD	
CNc1nc(C)cc(C(=O)NNc2ncnc3ccsc23)n1	807093698	PFGKWTRQURFANV-UHFFFAOYSA-N	315.362	1.588	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cn(C(C)C)nn2)cc1OC	807945204	HKRGUMNKAZLZII-UHFFFAOYSA-N	317.349	1.640	50	20	DDGD	
CSSCCNC(=O)[C@@](C)(O)Cn1ccc(C)cc1=O	803474189	FBNGLQLOLMIHOP-ZDUSSCGKSA-N	316.448	1.035	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N=c1cc[nH]cc1)c1cccc(F)c1	802025196	VYAMHGKHBBGCRH-UHFFFAOYSA-N	316.336	1.773	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)NC[C@@H]1C[C@H]1C	298726012	JZCNSVGBJFSKEG-BDAKNGLRSA-N	311.769	1.949	50	20	DDGD	
Cc1noc(C)c1C(=O)NNC(=O)c1cc(Cl)ccc1O	802586173	WDYDVQJTCZXAGA-UHFFFAOYSA-N	309.709	1.725	50	20	DDGD	
CSSCCNC(=O)[C@@H](NC1CCOCC1)C(C)C	807512944	CXABOKTZSIZAPA-LBPRGKRZSA-N	306.497	1.907	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(OC3CCC3)cc2)O1	294279220	PRRASBBZEFVVDJ-NHYWBVRUSA-N	318.373	1.946	50	20	DDGD	
CO[C@H](CNC(=O)NNc1ncccn1)Cc1ccccc1	298012920	DZXXNDVCBMOQQE-ZDUSSCGKSA-N	301.350	1.360	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@](C)(O)CCc2ccccc2)O1	293938900	OXPKTTMIHAETSJ-JDFRZJQESA-N	320.389	1.085	50	20	DDGD	
Cn1cc(CC(=O)NNC(=O)Nc2ccc(Cl)cc2)cn1	802020390	UDPYCPXGWIEMKA-UHFFFAOYSA-N	307.741	1.469	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)cc1	802056177	ZMFURNYZECPONC-OPQQBVKSSA-N	307.350	1.661	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1ccc2ncsc2c1	292626480	LOZMDTQRRBXHFP-JTQLQIEISA-N	306.347	1.628	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)c2ccc[nH]2)c(OC)c1	294420967	NFAXLTYOIUEIEA-UHFFFAOYSA-N	317.345	1.887	50	20	DDGD	
CC(C)OC(=O)CC[C@H](C)NC(=O)NNc1ncccc1F	805402217	XVRIJOCYDDNNLM-JTQLQIEISA-N	312.345	1.967	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@@H](O)c1cccnc1	803429862	LVEDGOQFABXKRA-AWEZNQCLSA-N	310.313	1.100	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)Nc2ccc3c(c2)OCO3)no1	802095734	BZFYZNQUKMRENQ-UHFFFAOYSA-N	318.289	1.107	50	20	DDGD	
CCOC(=O)c1cc(C(=O)NN(C)C2CC2)cc([N+](=O)[O-])c1	819640666	DOFUMDYWEPLWNE-UHFFFAOYSA-N	307.306	1.511	50	20	DDGD	
Cc1nnsc1C=NNC(=O)Nc1ccc2c(c1)OCO2	814994102	ONPDYSBUQXXUED-UHFFFAOYSA-N	305.319	1.731	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)CCc1ccc(Cl)cc1	818047786	DGPNWNJXIIFFTB-UHFFFAOYSA-N	318.826	1.879	50	20	DDGD	
CC(C)[C@H](C(=O)NN(C)C1CC1)N1C(=O)c2ccccc2C1=O	819641341	RXXDIFJAAFFCHK-CQSZACIVSA-N	315.373	1.433	50	20	DDGD	
CC(=NNC(=O)c1nn(C)c(=O)c2ccccc12)c1c[nH]nc1C	814739850	CLVMADOPPJSJAK-UHFFFAOYSA-N	324.344	1.119	50	20	DDGD	
O=C(NCc1nc(C2CC2)no1)NNc1cccc(Cl)n1	814279875	QUCFRSPLBORMHZ-UHFFFAOYSA-N	308.729	1.822	50	20	DDGD	
C[C@@H](Sc1nnnn1C1CC1)C(=O)N(C)CC(Cl)Cl	819843762	SMABCGIIFITPCC-ZCFIWIBFSA-N	324.237	1.751	50	20	DDGD	
O=C(O)CCCCCNC(=O)NNc1cncc(Cl)n1	819401219	HDUAHCGXCHDHEG-UHFFFAOYSA-N	301.734	1.401	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)[C@@H](F)C(F)(F)F	810353581	MYGBNABYVCXWQE-LLVKDONJSA-N	317.242	1.689	50	20	DDGD	
O=C(NN=C1CC(C(=O)O)(c2ccccc2)C1)[C@H]1CCOC1	814914518	KLCMVUMHYRBZCT-CHPOKUKFSA-N	302.330	1.312	50	20	DDGD	
CN(NC(=O)c1cccc(CN2C(=O)CSC2=O)c1)C1CC1	819645741	ROGAAXPUABKIHF-UHFFFAOYSA-N	319.386	1.621	50	20	DDGD	
COC(=O)[C@H]1C[C@H]2CC(=NNC(=O)N=c3cc[nH]cc3)[C@H]1C2	817329464	MSNYHTOGTUMHEO-DLOVCJGASA-N	302.334	1.200	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=C1CCCc2sccc21	814860292	OCXPYSBQQCIZRG-UHFFFAOYSA-N	318.358	1.349	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@H]1Cc2ccccc2O1	727277355	LQCBQAWHUJFYOX-CYBMUJFWSA-N	305.403	1.286	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)C[C@@H]2CCC(=O)N2C)o1	824639242	IUOCXLNWXVELPZ-VIFPVBQESA-N	305.338	1.124	50	20	DDGD	
COc1cccc(OCCC(=O)NNC(=O)C2CCCC2)c1	822474964	YLBZYAKNWMYCAG-UHFFFAOYSA-N	306.362	1.802	50	20	DDGD	
O=C(CSC[C@@H]1CCCCO1)NNC(=O)NCC1CC1	727373867	QCBSXJRVUPSYIF-NSHDSACASA-N	301.412	1.029	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccsc1C(F)F	823475352	PWMSQTSKUHHWMQ-RNFRBKRXSA-N	304.318	1.872	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F	823916980	CCUWCNRGWCAPHK-ZETCQYMHSA-N	321.255	1.571	50	20	DDGD	
C[C@H]1SCC[C@@H]1NC(=O)NNC(=O)Cc1ccccc1F	827642953	IINHPEOBKIZKNU-SKDRFNHKSA-N	311.382	1.593	50	20	DDGD	
C[C@H](NC(=O)OCc1ccccc1)C(=O)NNc1cccnn1	495047525	LKELWQCIDQRSQK-NSHDSACASA-N	315.333	1.235	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cccc(Br)c1O	497203722	PBJYFWPOOIUWOD-UHFFFAOYSA-N	303.112	1.498	50	20	DDGD	
CCc1ccc(CN(C)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	827314333	ARROCVMKWHKSBG-SWLSCSKDSA-N	319.405	1.847	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)C1	823151334	OAVAUZOZJYAKGW-NSHDSACASA-N	312.414	1.010	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc2ccccc2o1	826689632	NNIPSNHUOHBXOZ-NEPJUHHUSA-N	300.314	1.785	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(CN2CCCCC2)cc1	823841279	GJLCUUPEZARLIM-UHFFFAOYSA-N	305.422	1.632	50	20	DDGD	
C[C@@H](Cc1cncc2ccccc12)C(=O)NN(C)[C@H](C)CO	823924004	XBPJRWIHBOYDDJ-QWHCGFSZSA-N	301.390	1.757	50	20	DDGD	
Cc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)CCl	820784016	WVKUZXCGUXDIFC-UHFFFAOYSA-N	304.799	1.700	50	20	DDGD	
Cc1cccc(Br)c1C(=O)NN(C)[C@H](C)CO	823923637	UJKNETXPMZFLPN-SECBINFHSA-N	301.184	1.715	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1ccc(F)c([N+](=O)[O-])c1	495532778	GSLQBKKZYQSIRX-UHFFFAOYSA-N	314.273	1.313	50	20	DDGD	
CCOCC(=O)NN=C(C)[C@H]1CCCN1C(=O)OC(C)(C)C	495717984	CVTGEMNEIWPZAI-GFCCVEGCSA-N	313.398	1.915	50	20	DDGD	
COC(=O)C(C)(C)n1cc(NC(=O)NNc2ccccc2)cn1	825596675	BVEQOKLKSXVHTQ-UHFFFAOYSA-N	317.349	1.940	50	20	DDGD	
C[C@H]1CC[C@H](C)N1CC(=O)NNc1ccc(-c2nn[nH]n2)cc1	824908544	PGQIZAMLSFUBIE-QWRGUYRKSA-N	315.381	1.183	50	20	DDGD	
COc1cc(NC(=O)NN(C)C2CC2)ccc1OCCN(C)C	824381133	PXBHQAMEPPZREH-UHFFFAOYSA-N	322.409	1.766	50	20	DDGD	
COCCN(C(=O)/C(C#N)=C/c1cnn(C)c1)C1CCCC1	822707171	LJSFVQYSRYUNOV-NTEUORMPSA-N	302.378	1.745	50	20	DDGD	
CCOC(=O)[C@](C)(O)CNC(=O)/C(C#N)=C\c1ccc(F)cc1	490872503	BWBQTWDVPVQGOI-IYCSXQJISA-N	320.320	1.163	50	20	DDGD	
COC(=O)NNC(=O)Cc1ccccc1NC(=O)OC(C)(C)C	495366764	IBESKBRDWOYWSG-UHFFFAOYSA-N	323.349	1.963	50	20	DDGD	
CC(C)COC[C@H](O)CNC(=O)/C(C#N)=C/c1ccc(F)cc1	490843954	PBXOWPINLNVVBD-SNQWNFELSA-N	320.364	1.882	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)C1CCC1)N1C[C@H](C)O[C@H](C)C1	732142247	SOVLWMPBMRPRQE-SCRDCRAPSA-N	311.426	1.068	50	20	DDGD	
COC(=O)Nc1cccc(NC(=O)NNc2cnccn2)c1	494573344	RCJVYEBQQFLZHU-UHFFFAOYSA-N	302.294	1.804	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@@H]1[C@@H]1CCCOC1)C1CCCC1	826623301	BTTKXHMPALKMAO-ZIAGYGMSSA-N	309.410	1.808	50	20	DDGD	
CCC(C)(C)NC(=S)NNC(=O)CNC(=O)OC(C)(C)C	495472146	GCBPTZCTYSDKHK-UHFFFAOYSA-N	318.443	1.195	50	20	DDGD	
C=CC(=O)NCc1ccc(C(=O)NNc2ncccc2C)cc1	490757800	KVRKZVULIZLOAV-UHFFFAOYSA-N	310.357	1.949	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1cc([N+](=O)[O-])ccc1C	739414040	UVYIWDTXQKXQMO-UHFFFAOYSA-N	318.333	1.366	50	20	DDGD	
OB(O)c1ccc(CN[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)o1	585019108	BSCCLRIWVZYWFM-ZBFHGGJFSA-N	319.141	1.108	50	20	DDGD	
O=C(NCCOC[C@H]1CCCO1)NNc1ncc(F)cc1F	838481210	XGTOPSVBFOOENS-SNVBAGLBSA-N	316.308	1.182	50	20	DDGD	
CO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2F)C12CCC2	838769214	SWHZMZQLHRRAAG-CHWSQXEVSA-N	321.352	1.727	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNc1cccc(Br)n1	837211787	KNXPSOLFBMKWPB-NSHDSACASA-N	302.172	1.838	50	20	DDGD	
Cc1cc(C(=O)NCC(Cl)Cl)nc2nc(O)nc(O)c12	837648458	HYNCDTQTIJXCGR-UHFFFAOYSA-N	317.132	1.278	50	20	DDGD	
O=C(NNc1cccc(Br)n1)[C@@H]1[C@H]2CCCO[C@H]21	837211970	NFXVEWWRQIYYHH-AVPPRXQKSA-N	312.167	1.712	50	20	DDGD	
C[C@H](CCCC(F)(F)F)NC(=O)c1ccc(B(O)O)cc1	584983223	PPWBSJLCZSOCLU-SECBINFHSA-N	303.089	1.217	50	20	DDGD	
Cn1cc(/C=C\C(=O)NNC(=O)c2ccc3ccccc3n2)cn1	731448333	HNSCAEQFDPTPCK-TWGQIWQCSA-N	321.340	1.443	50	20	DDGD	
CC(C)(C)Sc1ccc(NC(=O)NNC(=O)CO)cc1F	836718710	DDNOBHSZISLYII-UHFFFAOYSA-N	315.370	1.861	50	20	DDGD	
COc1cc(C=NNC(=O)c2cnn(C)c2)ccc1OC(F)F	735413573	NGGKAAYCDSPVEP-UHFFFAOYSA-N	324.287	1.794	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NC[C@H]1CC1(C)C	732893378	NDIJVFNRYNLVNG-GHMZBOCLSA-N	323.368	1.970	50	20	DDGD	
COC(=O)[C@H](C)Oc1ccccc1C=NNC(=O)NCC1CC1	901178184	ZRDXIWHQEVGCNP-NSHDSACASA-N	319.361	1.670	50	20	DDGD	
O=C(NC[C@@H]1CCc2ccccc2C1)NNC(=O)c1ccc[nH]1	735385541	OUCQKQQUXYXRSW-GFCCVEGCSA-N	312.373	1.764	50	20	DDGD	
CN(C)Cc1ccc(NCc2ccccc2B(O)O)cc1F	585016527	PHSJGAIKKNJBNN-UHFFFAOYSA-N	302.158	1.179	50	20	DDGD	
C[C@H]1CCCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)[C@@H]1C	839499421	VIARVGWSMINRLU-QWHCGFSZSA-N	314.389	1.440	50	20	DDGD	
Cn1cc(/C=C\C(=O)NNC(=O)c2cccc3ncccc23)cn1	730226639	SKPZIQUWGKEMFB-FPLPWBNLSA-N	321.340	1.443	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNC(=O)c1ccc2ccccc2c1	730279364	XDQNMMRPFCJECK-KRWDZBQOSA-N	321.380	1.698	50	20	DDGD	
CC(C)(C)c1csc(CNC(=O)c2ccc(B(O)O)cc2)n1	584942044	QLIRYTHNFKTFCC-UHFFFAOYSA-N	318.207	1.050	50	20	DDGD	
CC1=C(C(=O)NNc2cccc(C(=O)O)c2)C(=O)OC1(C)C	833575411	ADXWKZUSDDGSPW-UHFFFAOYSA-N	304.302	1.480	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)[C@@]2(O)CCOC2)C1	912581768	JMNBSOCDZNBKPG-IUODEOHRSA-N	315.486	1.761	50	20	DDGD	
CCSc1ccc([N+](=O)[O-])cc1C(=O)NN(C)C[C@@H](C)O	910155270	LHEZVEPCRWNTQK-SECBINFHSA-N	313.379	1.664	50	20	DDGD	
CC(=NNC(N)=O)c1ccc(S(=O)(=O)CC(F)F)cc1	741760296	XAKWXAVNKJNLTK-UHFFFAOYSA-N	305.306	1.118	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(S(=O)(=O)NNC(=O)C(C)C)cc1C	918726426	PFFUJUMJDGXKIM-UHFFFAOYSA-N	315.351	1.177	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc(-c2ccccn2)nc1O	746847431	KRCZRFFDHUFTQQ-UHFFFAOYSA-N	315.333	1.202	50	20	DDGD	
Cn1ccnc(NNC(=O)c2cccc(OC(F)F)c2)c1=O	747942110	VZYNMWVDMQHXCR-UHFFFAOYSA-N	310.260	1.139	50	20	DDGD	
CC(C)CC(=O)N[C@H](C(=O)NN(C)C[C@H](C)O)c1ccccc1	910163388	BPQKDKBQLUGUSK-BBRMVZONSA-N	321.421	1.234	50	20	DDGD	
CC(C)c1cccc(N(CCO)CC(=O)NNC(=O)C2CC2)c1	844372304	VSZDUZYNTVMHFU-UHFFFAOYSA-N	319.405	1.166	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@]1(N(C)C)CCC[C@H](C)C1	919658247	JJABEAQWPSBHBY-BBRMVZONSA-N	312.458	1.873	50	20	DDGD	
COC(=O)COc1ccc(C(C)=NNC(=O)NC(C)C)cc1	745006234	QVJTXOQWMQAKAP-UHFFFAOYSA-N	307.350	1.670	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2cc(C)[nH]c2C)c1	914748739	CKVYCYUJIFPBQX-UHFFFAOYSA-N	301.346	1.780	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)CCc1ccc(F)cc1	849304105	NYSVIGJMBYJZCK-UHFFFAOYSA-N	302.371	1.365	50	20	DDGD	
O=C(NNC(=O)c1cc2c(nc1O)CCC2)NC1CCCCC1	916107660	ILOMNBXHZYUFTA-UHFFFAOYSA-N	318.377	1.553	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1ccc(Cn2cccn2)o1	749944588	BUHMKFCBTHHKGA-UHFFFAOYSA-N	316.361	1.866	50	20	DDGD	
CC[C@H](Oc1ccccc1C)C(=O)NNC(=O)c1ncccn1	841349830	AEEFIQKIGZOTGG-LBPRGKRZSA-N	314.345	1.404	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc2c1CCCC2)N1C(=O)CCC1=O	748580654	HMMDVQLWULUQBU-NSHDSACASA-N	315.373	1.546	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1ccc2c(c1)OCO2	918000310	KGIQRRWDFBONJX-UHFFFAOYSA-N	305.212	1.520	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNC(=O)c1ccc2ccccc2n1	919972857	GIZBCHPUQHZIIY-AWEZNQCLSA-N	301.346	1.811	50	20	DDGD	
NC(=O)C(=O)NN=C1CCOc2c(Cl)cc(Cl)cc21	912779306	ZUDAANKEKORDMD-UHFFFAOYSA-N	302.117	1.082	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCO[C@@H](c2ccccc2)O1)C1CCCC1	847336908	NENLIVOFCLVSSJ-RHSMWYFYSA-N	318.373	1.828	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc2c(c1)C(=O)CC2	848449713	WNEPVTADWMEVIW-SECBINFHSA-N	310.375	1.171	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12	847442409	JLAHLQWVTKGFKF-NEPJUHHUSA-N	312.414	1.742	50	20	DDGD	
O=C(CCN1CCCCCC1)NN=C1C(=O)Nc2ccccc21	916355504	KAHGYNWXUWSPIL-UHFFFAOYSA-N	314.389	1.725	50	20	DDGD	
Cc1cc(OCC(=O)NNc2cccc(C(F)(F)F)n2)no1	740139957	AYZSSHIKHLCXBF-UHFFFAOYSA-N	316.239	1.919	50	20	DDGD	
CC/C=C(/C)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1	744548339	OBRKXSWHWQTWGA-WZUFQYTHSA-N	315.329	1.219	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H](C)[C@@H](O)CC)c1	913823746	PYHHAMVJMHZQIS-MFKMUULPSA-N	305.403	1.393	50	20	DDGD	
CO[C@H](C=NNC(=O)c1ccc2c(c1)OCCO2)[C@@H]1CCOC1	841615686	DOTMMIGBDRMNHR-IUODEOHRSA-N	320.345	1.225	50	20	DDGD	
CC(C)c1cc(C(=O)NN(C)C[C@H](C)O)nn1-c1ccccc1	910160590	LFJNYPWIVRQIQJ-ZDUSSCGKSA-N	316.405	1.953	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)[C@@H]1CCc2ncncc2C1	843856694	ZFSQHHJMCLHUMW-SECBINFHSA-N	303.753	1.195	50	20	DDGD	
CCc1ccc(C=NNC(=O)Cc2cc(O)nc(O)n2)cc1	743445902	KIIVDPRIVZYIQH-UHFFFAOYSA-N	300.318	1.143	50	20	DDGD	
COc1ccc(OCC(=O)NN=C(C)c2cncnc2C)cc1	848400316	GVPZZXONUJQFQW-UHFFFAOYSA-N	314.345	1.713	50	20	DDGD	
CC(C)CN1CCC[C@H](CNC(=O)NNC(=O)C2CCCC2)C1	746328002	IXBCYWGOQZWNAY-CQSZACIVSA-N	324.469	1.875	50	20	DDGD	
CC(C)c1nnc(CCC(=O)NNc2ccc(Cl)nn2)o1	746892436	RONILAPJNMUCDC-UHFFFAOYSA-N	310.745	1.712	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)COc1cccc(Cl)c1	843644410	FEBGVJINJBCNKD-SKDRFNHKSA-N	312.753	1.291	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)O)[nH]1)c1ccc([N+](=O)[O-])cc1	749807091	JTSQGPIMKDMOKN-UHFFFAOYSA-N	302.246	1.385	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1cccc2c1OC(F)(F)O2	840721568	YGZNIICOGUGAMQ-RMKNXTFCSA-N	316.285	1.764	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2ccncc2)s1	849156454	UGALKAHYWQBVEK-UHFFFAOYSA-N	305.315	1.005	50	20	DDGD	
O=C(CC[C@H]1CCNC1)NNc1ncc(Br)cn1	848436306	MNSAPYZRSIFLGS-QMMMGPOBSA-N	314.187	1.072	50	20	DDGD	
CCO[C@H]1CCN(C(=O)NC[C@]2(C)C[C@H]2Br)C1	923375139	YGMSAWQPWPHHLX-UMNHJUIQSA-N	305.216	1.980	50	20	DDGD	
CCOC(=O)C[C@@H](CNC(=O)NNc1cccnn1)CC(C)C	845393580	VKLOZKCULLJSIK-LBPRGKRZSA-N	323.397	1.718	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Nc2cnns2)c1	755334086	GUZVMFUWIAXHNH-UHFFFAOYSA-N	307.335	1.078	50	20	DDGD	
CCOc1cc(C(=O)NNc2cccc(C(=O)OC)c2C)on1	855624126	BZZOAPFCDNPODY-UHFFFAOYSA-N	319.317	1.925	50	20	DDGD	
CC(=O)c1ncc(C(=O)NNC(=S)N[C@@H](C)C2CC2)s1	855095804	OWHWCEIBDBRGOO-LURJTMIESA-N	312.420	1.253	50	20	DDGD	
COC(=O)c1csc(NC(=O)NNC(=O)c2c[nH]nc2C)c1	757679074	HSJHXEQEWARYMZ-UHFFFAOYSA-N	323.334	1.033	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)[C@H](C)N(C)C)cc1OC	750015195	UNZPJIXYBSTZTR-NSHDSACASA-N	323.393	1.195	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)Nc1cccnn1	757660353	FUTNJTWACNLJGI-UHFFFAOYSA-N	303.347	1.493	50	20	DDGD	
CCC(CC)CC(=O)OCC(=O)NNC(=O)c1cccs1	759418326	WSPJQQPBAYMOPE-UHFFFAOYSA-N	312.391	1.879	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@@H](c1ccccn1)C1CC1	925534651	OKEMERVWXFUHKD-LLVKDONJSA-N	316.283	1.816	50	20	DDGD	
COC[C@H](C)Oc1ccc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	853366733	QEPQQRWKCPSYII-WOSRLPQWSA-N	320.389	1.975	50	20	DDGD	
CC/C=C/CNC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	852370103	PJPDTTKJIJTOBJ-VOTSOKGWSA-N	312.414	1.226	50	20	DDGD	
Cc1cc(C)n(CCCC(=O)NNC(=O)c2cccnc2)n1	929165042	HWBBCTCLXFXHRY-UHFFFAOYSA-N	301.350	1.136	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc(N(C)C)nc1)C1CC1	751620433	UANXCKZDTWKHCU-SECBINFHSA-N	307.423	1.055	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C1(CC)COC1	755667035	FOILWQKZTMKYIW-UHFFFAOYSA-N	306.362	1.202	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cc(Br)cnc1O	857120259	HQDFRFPFSJTJGI-UHFFFAOYSA-N	314.139	1.111	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)C[C@H]2CCC(=O)N2)c(Cl)c1	854379935	RTJJJNCZQWAZHE-SECBINFHSA-N	324.768	1.470	50	20	DDGD	
COC(=O)N(C)NC(=O)CCc1ccccc1N1CCOCC1	854410438	ZWPOHYODVLSVFA-UHFFFAOYSA-N	321.377	1.185	50	20	DDGD	
Cc1n[nH]cc1CNC(=O)NC[C@]1(C)C[C@H]1Br	856838133	ABJBSOYQLRMXBK-KOLCDFICSA-N	301.188	1.691	50	20	DDGD	
CC[C@H](C)c1nc(C)c(CC(=O)NNc2cnnn2C)c(C)n1	857270367	ZPCNIMHMVVFLKJ-VIFPVBQESA-N	317.397	1.421	50	20	DDGD	
O=C(NNC(=O)c1cccc2c1OCC2)NC1CCCCC1	929246842	UUNHRRPWNUABEI-UHFFFAOYSA-N	303.362	1.898	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@H]1CCCC(F)(F)C1	854284885	BNPVAGOHHHIBAA-JTQLQIEISA-N	323.409	1.686	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCCCC1=NNC(=O)C1	854485980	IGZBBVLBZDNEHJ-XYOKQWHBSA-N	312.329	1.071	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNc1ccc(C)c(C(=O)OC)c1	857268051	VNFDKALGTTWLSI-SNVBAGLBSA-N	307.350	1.139	50	20	DDGD	
N#C/C(=C\c1cn(CC(=O)O)nn1)C(=O)c1cc2ccccc2o1	759076880	UBYSAUJNFUXNQZ-VZUCSPMQSA-N	322.280	1.899	50	20	DDGD	
CCN1CCO[C@@H](C(=O)OC[C@H](CBr)C2CC2)C1	859571320	PVFJXWRYJFCKFO-NWDGAFQWSA-N	320.227	1.671	50	20	DDGD	
C[C@@H]1C[C@@H]1C=NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1	758367698	ZMDPZDRRWNJMIA-VXNVDRBHSA-N	315.782	1.359	50	20	DDGD	
C[C@@]1(CO)CCCN1C(=O)NC[C@@]1(C)C[C@H]1Br	856955648	QIPUZSPTKKLURA-JLLWLGSASA-N	305.216	1.716	50	20	DDGD	
CCc1c(C(=O)NN(C)C(=S)NCCCOC)ccn1C	854285097	GEKODLNMBCLPRF-UHFFFAOYSA-N	312.439	1.075	50	20	DDGD	
C[C@@H](C(=O)NNc1ccnc(Cl)c1)N1CCSCC1	855465527	RDWGDPBHGYEOTB-VIFPVBQESA-N	300.815	1.615	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ccc3nc(O)[nH]c3c2)n1	753451544	JWAHIQOVMLPKTM-UHFFFAOYSA-N	319.712	1.051	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(OC)c(Cl)c1	755404198	JQPUGLYDQVPGTG-UHFFFAOYSA-N	301.730	1.538	50	20	DDGD	
C[C@]1(CNC(=O)c2cccc(C(N)=O)c2)C[C@@H]1Br	857397614	HUKQFJASAXGDSY-GXFFZTMASA-N	311.179	1.689	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cccnc1N1CCOCC1	756182757	GBAJSJGMZRQJMJ-UHFFFAOYSA-N	321.381	1.117	50	20	DDGD	
O=C(C[C@H]1CC(=O)Nc2ccccc21)NNC(=O)C1CCCC1	930132818	CDNZWUDLSMVRQV-GFCCVEGCSA-N	315.373	1.840	50	20	DDGD	
COC(=O)[C@H](C)c1cccc(NCc2ccccc2B(O)O)c1	864015047	BIVRCDITZHVWGH-GFCCVEGCSA-N	313.162	1.255	50	20	DDGD	
CCCCS(=O)(=O)/C(C#N)=C/c1cn(C[C@H]2CCCO2)nn1	865225011	XIMUXNPVOQGTMD-SJWLEHQBSA-N	324.406	1.536	50	20	DDGD	
C[C@H](NNC(=O)c1cccc(C[S@](C)=O)c1)C(F)(F)F	862306201	GEXSQRFWODQNHT-FHZGZLOMSA-N	308.325	1.750	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CN(C)C1CCC1	863851998	GJWCLKYDWCWWDD-NSHDSACASA-N	323.368	1.225	50	20	DDGD	
Cc1nn(CCC(=O)NN[C@H](C)C(F)(F)F)c(C)c1[N+](=O)[O-]	862312184	GRRYEYGBBZYAMR-MRVPVSSYSA-N	323.275	1.370	50	20	DDGD	
Cc1cc(=NNC(=O)Nc2cc([C@H]3CCCO3)nn2C)cc[nH]1	861026293	KATLJJQKXHSXOL-CYBMUJFWSA-N	316.365	1.546	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cccc2c1OCC2	935868550	AQGAADNICCQXGD-UHFFFAOYSA-N	322.361	1.172	50	20	DDGD	
CN(CC(=O)NNC(=O)NC1CCCCC1)[C@@H]1CCSC1	766757450	RXJNUBMPUQUEBB-GFCCVEGCSA-N	314.455	1.087	50	20	DDGD	
CC(C)N1C[C@@H](NS(=O)(=O)CC(C)(C)CCl)CC1=O	866701758	USHFIWNZGMPUJC-JTQLQIEISA-N	310.847	1.180	50	20	DDGD	
CCC[C@H](O)CC(=O)NNC(=O)CSc1ccccc1O	765247854	CNEGJNVOOYAJTR-JTQLQIEISA-N	312.391	1.183	50	20	DDGD	
COc1ccc(C[C@@H](C)C=NNC(=O)[C@@H]2CCC(=O)N2)cc1F	863147913	OYNWJSPTIADAEW-MFKMUULPSA-N	321.352	1.394	50	20	DDGD	
Cc1ccc(-c2ccnn2C)cc1NCc1cccc(B(O)O)c1	864035432	ATLPBQUPUJFUNT-UHFFFAOYSA-N	321.189	1.687	50	20	DDGD	
COc1cc(C)cc(C(=O)NNC(=O)NC2CCCC2)c1O	769728719	SGDHYFHDUKSQND-UHFFFAOYSA-N	307.350	1.596	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1cc(Cl)ccc1F	763882778	LUQAZZFAKFRNOS-UHFFFAOYSA-N	315.732	1.611	50	20	DDGD	
CCSCc1cccc(NC(=O)C(=O)NNC(=O)C2CC2)c1	763561866	LPHCIPNUFPZOSS-UHFFFAOYSA-N	321.402	1.436	50	20	DDGD	
COCCN(C)NC(=O)c1cn(C)nc1-c1cc(F)ccc1F	868241633	NDTYRRWOWMUKAV-UHFFFAOYSA-N	324.331	1.588	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCC(=O)c1ccc(Cl)cn1	769620527	WIDFDKMXIBXPFX-UHFFFAOYSA-N	312.757	1.390	50	20	DDGD	
COc1cc(C(C)=NNC(=O)c2cnccn2)c(OC)cc1O	763163293	IBBYQQKZAVQIIU-UHFFFAOYSA-N	316.317	1.353	50	20	DDGD	
CC(C)COc1ccc(NC(=O)NNC(=O)c2cn[nH]c2)cn1	1118856171	RAKQFPBGYNXHQY-UHFFFAOYSA-N	318.337	1.306	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)CSc2ccccc2O)s1	764047056	QAMNDTIDDVGXGU-UHFFFAOYSA-N	323.399	1.710	50	20	DDGD	
Cc1onc(-c2ccccn2)c1C(=O)NNC(=O)NCC1CC1	765119931	VKXRCCWCBJMXIH-UHFFFAOYSA-N	315.333	1.399	50	20	DDGD	
Cn1c(=O)n(C/C=C/C#N)c(=O)c2ccc(C(F)(F)F)nc21	763302003	AAISTVOMRGEXLA-NSCUHMNNSA-N	310.235	1.194	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)/C=C2\CC[C@@H](C)C2)C[C@H](C)O1	762786332	BZFJGWPCTQDBLQ-YVRYJVATSA-N	323.437	1.380	50	20	DDGD	
Cc1ccc(F)c(OCC(=O)NNC(=O)c2ccccn2)c1	764430893	WFYONPHDMFUBPA-UHFFFAOYSA-N	303.293	1.369	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccccc1O[C@H]1CCOC1	878929263	FHOMHBBFVRRPGE-LBPRGKRZSA-N	309.366	1.469	50	20	DDGD	
COCCOCC(=O)NN=Cc1cc(Cl)c(O)c(OC)c1	872403298	LSWKGVYDVPKPQX-UHFFFAOYSA-N	316.741	1.167	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCc2ccc(NC(C)=O)cc2C1	874521059	LOMVNKADUSDULW-PTNGSMBKSA-N	313.357	1.974	50	20	DDGD	
C[C@H]1CC(=NNC(=O)Cc2nc3ccccc3n2C)CCO1	773194682	XMZBGKHXCPJXBO-NSHDSACASA-N	300.362	1.787	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2cccc(C)n2)[C@@]12CCCO2	875490614	WMDOYGAKUJOQIC-IOASZLSFSA-N	320.393	1.743	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)nc1	776314263	IWZJABHHWUJROK-UHFFFAOYSA-N	301.237	1.757	50	20	DDGD	
CCc1cccc2c1OCC[C@@H]2NC(=O)NN(C)C(=O)OC	875205270	DZXNOJUBCOIKDA-LBPRGKRZSA-N	307.350	1.985	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCCCC(F)F	1119687652	FQPCCYAVBWLOMZ-UHFFFAOYSA-N	303.284	1.744	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(OCCCN(C)C)cc1	770025029	MHHNKAIJGNIDLK-UHFFFAOYSA-N	324.381	1.800	50	20	DDGD	
COc1ccc(CCNC(=O)NN=c2cc[nH]c(C)c2)cc1	874981651	BXGYTBMBOKVLFY-UHFFFAOYSA-N	300.362	1.689	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC(F)(F)F)nn1[C@H](C)C1CC1	777521870	JQTSQBBMJXJWBA-MRVPVSSYSA-N	318.299	1.876	50	20	DDGD	
C#CCOc1ccc(NC(=O)NNc2ncc(F)cn2)cc1	775609430	XFSNSPGZNPFHLH-UHFFFAOYSA-N	301.281	1.776	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNc1ccccc1OC(F)(F)F	779210981	WYIDKRLVRRFUFU-MRVPVSSYSA-N	319.283	1.943	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](C(C)C)N1C[C@H](C)O[C@H](C)C1	887142846	CGQXKMALAXKMIW-LZWOXQAQSA-N	323.437	1.071	50	20	DDGD	
CO[C@H]1CCC[C@H]1C(=O)NNc1ccc(S(C)(=O)=O)cc1	1120622432	QGMCSIFSTHKNLO-OLZOCXBDSA-N	312.391	1.348	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1ccc(O)c(Br)c1	785462860	SKSCNUBIKPGZFC-UHFFFAOYSA-N	301.140	1.376	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H]2CCN3CCCC[C@H]23)n1	780005150	DHADKDSTAWOMOF-NWDGAFQWSA-N	305.382	1.343	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1ncc(Br)cc1F	785466303	QMUPVBDOFLCJJQ-UHFFFAOYSA-N	318.146	1.594	50	20	DDGD	
O=C(NN=C1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(F)F	782234970	KBGPIBLJXQNGTH-MRVPVSSYSA-N	301.253	1.644	50	20	DDGD	
CCc1onc(C)c1NC(=O)C(=O)NNc1cc(Cl)ccn1	784861030	MOFYGADVDCKTQR-UHFFFAOYSA-N	323.740	1.676	50	20	DDGD	
COc1ccc(OC(F)F)c(C=NNC(=O)C(C)(C)O)c1	785466753	WHOFNGPRWNYCGX-UHFFFAOYSA-N	302.277	1.518	50	20	DDGD	
O=C(NN=C1CCOC[C@H]1CN1CCCCC1)c1ccc[nH]1	787152563	WYSBEZJMDVDYMF-CYBMUJFWSA-N	304.394	1.623	50	20	DDGD	
NC(=O)[C@H]1CCC[C@H](C(=O)NNc2nc3ccccc3[nH]2)C1	788003343	GRUGLPPPJOJILE-UWVGGRQHSA-N	301.350	1.298	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnc(OC(C)C)c(Cl)c1	780712771	YBAPDIBTOKZSJT-UHFFFAOYSA-N	314.773	1.828	50	20	DDGD	
Cn1cc(C(=O)NN=CC[C@H]2CCCCC23OCCO3)cn1	788716661	HGZJSEGYUCUBIM-CYBMUJFWSA-N	306.366	1.459	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)c1ccccn1	792760720	CQMONAIOOXPJQY-RJCJOANDSA-N	309.369	1.237	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2ccc3c(c2)COC3)n1	797639312	RZAOFJMSHPFFML-UHFFFAOYSA-N	312.329	1.887	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H](C)Cc2cccnc2)n1	898343962	AEFSTIXCXLOPJY-LBPRGKRZSA-N	300.366	1.746	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H](C)n1cnc2ccccc21	798304413	PJWFCHBEPXZMBI-SNVBAGLBSA-N	303.391	1.279	50	20	DDGD	
Cc1cccnc1NNC(=O)c1ccc(Cn2cncn2)cc1	791219332	OEVALQRCEIOCHC-UHFFFAOYSA-N	308.345	1.787	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc(Cl)nn2)c(-c2ccoc2)n1	790744965	GXXQPFIQBGKIOF-UHFFFAOYSA-N	318.724	1.880	50	20	DDGD	
N#C/C(=C/c1cnn(Cc2ccc(F)cc2)c1)S(N)(=O)=O	799893813	LCMAZGMMZDWIMR-ACAGNQJTSA-N	306.322	1.223	50	20	DDGD	
CC(=NNC(=O)c1cccnc1)c1ccccc1-n1ccnn1	794855318	PDNZHPFMFPLMSJ-UHFFFAOYSA-N	306.329	1.816	50	20	DDGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)c2cnnn2C)c1C	799100488	TYOZHJAAZJVXDX-UHFFFAOYSA-N	324.348	1.041	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=Cc2c(C)cnn2C)c1	794873617	SWZQKJHFFDPOCI-UHFFFAOYSA-N	302.334	1.510	50	20	DDGD	
O=S(=O)(CCCCl)N1CCN(c2nccs2)CC1	36881371	NNVUHLPEIBQJCF-UHFFFAOYSA-N	309.844	1.224	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C2CCNCC2)ccc1[N+](=O)[O-]	1326075454	OWIQXQQUWFXDLU-UHFFFAOYSA-N	321.337	1.056	50	20	DDGD	
Cc1nnc(CNC(=O)NNc2c(F)cccc2Cl)n1C	1325694411	UDEKADIILDRWIO-UHFFFAOYSA-N	312.736	1.742	50	20	DDGD	
Nc1cnnc(NNC(=O)CC2CCSCC2)c1Cl	1324009824	XOAVRJKATMVGSU-UHFFFAOYSA-N	301.803	1.689	50	20	DDGD	
CC(C)CONC(=O)NNC(=O)c1cncn1-c1ccccc1	1322886167	SCECEUMHJSQXFG-UHFFFAOYSA-N	317.349	1.404	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)c1n[nH]c2c1CCCC2)c1ccco1	1327770528	NELOUSIHKJUXLK-MDZDMXLPSA-N	314.345	1.746	50	20	DDGD	
COc1ccccc1C1(C(=O)NNc2cnnn2C)CCC1	1328569713	DZTMIOSJZUZNBW-UHFFFAOYSA-N	301.350	1.389	50	20	DDGD	
Cc1noc(C)c1C(=O)NNc1cccc(S(C)(=O)=O)c1	1254211051	HTRMVNZFYKKEQT-UHFFFAOYSA-N	309.347	1.452	50	20	DDGD	
Cc1noc(C(F)(F)F)c1C(=O)NNC(=O)C1CCOCC1	1330828479	BOKQDDUMPAQIKM-UHFFFAOYSA-N	321.255	1.189	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1ccc(OC(F)(F)F)cc1	1339878859	FYWIOZZBQFELAP-UHFFFAOYSA-N	304.224	1.598	50	20	DDGD	
CC(C)N(C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br)C1CC1	1334705056	WDQOGBXKIAFQIA-ZWNOBZJWSA-N	317.227	1.676	50	20	DDGD	
CC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)c1ccnc(C)n1	1339007739	UXQPCOUHTGZQBH-UHFFFAOYSA-N	314.305	1.429	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1c2ccccc2nn1C)C1CC1	1331185886	DHEMPRHPGBHFRY-SECBINFHSA-N	317.418	1.481	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)c2ccc(OC)cc2)o1	1337446991	SGWYSUWYRZUCCJ-UHFFFAOYSA-N	302.286	1.839	50	20	DDGD	
Cc1ccnc(O)c1C(=O)NNC(=O)C(C)(C)c1ccccc1	1337413399	KQDBQHRGSFSKSX-UHFFFAOYSA-N	313.357	1.834	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)NCCC(F)F)c1	1345902884	XNZHTCOWHRGVSH-UHFFFAOYSA-N	317.292	1.303	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@]1(c2ccccc2)CC1(C)C	1347918667	VUZAUIQWGSSVRR-WPKBUWHJSA-N	316.401	1.927	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1F)c1ccc(COc2ccccc2)o1	1518771661	AQXCIDHYTOZLDC-OLZOCXBDSA-N	318.304	1.978	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)Cc2n[nH]c3ccccc23)cc1	1602127148	HJTPYPOLHUOBCG-UHFFFAOYSA-N	324.340	1.876	50	20	DDGD	
Cc1ccc(C=NNC(=O)NCC(=O)O)c(Br)c1	1607767758	VJPBCNAZRSCKCB-UHFFFAOYSA-N	314.139	1.475	50	20	DDGD	
NC(=O)Nc1cccc(C(=O)NNc2ncccc2C(=O)O)c1	1605635560	XAWWCZRVUPXDTM-UHFFFAOYSA-N	315.289	1.027	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccc(C(=O)O)cc2F)nc1	1601108993	YWDUHTRULKGNAX-UHFFFAOYSA-N	300.249	1.547	50	20	DDGD	
C[C@@H](CC(=O)O)CC(=O)NNC(=O)Cn1ccc2ccccc21	1604107155	XFAVYQKVYLQOCB-LLVKDONJSA-N	317.345	1.290	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCS1)Nc1cccc(C(=O)O)c1	1601553326	CHHHENWFXWFHGU-SNVBAGLBSA-N	309.347	1.433	50	20	DDGD	
CSc1ccc(NNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)cc1	1605387497	HTFRAYQSWOHKDV-UHFFFAOYSA-N	315.362	1.674	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNc1ccc(C(=O)O)cn1	1607936139	ZDAJXIBCJCSTLU-QMMMGPOBSA-N	317.349	1.757	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1c[nH]nc1-c1c(F)cccc1F	1608754312	WUMFAXFFWGMQSJ-UHFFFAOYSA-N	323.259	1.073	50	20	DDGD	
Cc1cccc2c1O[C@H](C(=O)NNc1ncccc1C(=O)O)C2	1605350338	XXDUPRMPCKQMQZ-LBPRGKRZSA-N	313.313	1.535	50	20	DDGD	
CC(C)(C)NCC(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1603081112	OPPXYZXKBRAQBW-UHFFFAOYSA-N	323.788	1.351	50	20	DDGD	
Cc1nnc([C@H](C)NC(=O)NNc2ccc(CC(=O)O)cc2)o1	1600791798	GIBFDCZIQTVNHP-QMMMGPOBSA-N	319.321	1.392	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccc(F)cc2[N+](=O)[O-])nc1	1610835849	IAEXVBFDTYNSND-UHFFFAOYSA-N	320.236	1.584	50	20	DDGD	
CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CC1	1801641330	UUAKQQHXTYRUAI-RNJOBUHISA-N	314.813	1.003	50	20	DDGD	
O=C(NN=Cc1ccc2cc[nH]c2c1)[C@H]1CN2CCC[C@H]2CO1	1549684487	BWECQMCIMQEGMB-GOEBONIOSA-N	312.373	1.481	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@H]1C=NNC(=O)c1cn[nH]c1	1552672097	DXLVCOTYPLTWIE-GWCFXTLKSA-N	302.338	1.027	50	20	DDGD	
CC(C)(C)OC(=O)[C@]1(C)C[C@H](I)CN1	536960684	SICDEQPVLVXPFV-XVKPBYJWSA-N	311.163	1.884	50	20	DDGD	
CCn1nccc1[C@@H]1OCCC[C@@H]1C=NNC(=O)CN(C)C	1552449240	IZHJBLFBZUMBRP-IUODEOHRSA-N	307.398	1.034	50	20	DDGD	
C[C@@]1(Br)C[C@@H]1C(=O)NNc1ncccc1C(=O)O	1589181732	BMNJIHKHGFZIKL-RDDDGLTNSA-N	314.139	1.396	50	20	DDGD	
C=CC(C)(C)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	1588477950	MNAQXOZUFXRBEC-UHFFFAOYSA-N	307.745	1.570	50	20	DDGD	
C=CCOCCCNC(=O)NNc1cccc(C(=O)O)c1F	1588866682	OZDOUOAEDQHAIR-UHFFFAOYSA-N	311.313	1.743	50	20	DDGD	
COC[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1841661924	FRITXPCJMIWPJA-NXEZZACHSA-N	306.765	1.007	50	20	DDGD	
CC1(C)C[C@@]1(C(=O)O)C(=O)NNc1ccc([N+](=O)[O-])cc1F	1589218985	FPRRXZPDGJNGNL-ZDUSSCGKSA-N	311.269	1.678	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC[C@H]2[C@@H]1CCN2C(=O)C12CC(F)(C1)C2	1847851308	PGNJETRYRIZANT-OAUXDIHDSA-N	318.751	1.615	50	20	DDGD	
C[C@H](Oc1ccccn1)C(=O)NNc1ccc(F)c(C(=O)O)c1	1593656213	UQKQLPKCATVDFJ-VIFPVBQESA-N	319.292	1.830	50	20	DDGD	
CCc1nocc1C(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1597755133	WIVCZUXYZNGBMT-UHFFFAOYSA-N	324.362	1.444	50	20	DDGD	
CCCC[C@@H](NNC(=O)COc1ccccc1C#N)C(=O)O	1595641189	TUKZIUWLWRZOTN-GFCCVEGCSA-N	305.334	1.201	50	20	DDGD	
Cc1ncsc1CCC(=O)NNc1ncccc1C(=O)O	1594474749	JMSPVHSCSLTLNE-UHFFFAOYSA-N	306.347	1.621	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1c(F)ccc(C(=O)O)c1F	1776117652	DIOJKJRCGFBCQH-VURMDHGXSA-N	310.256	1.333	50	20	DDGD	
COC(=O)NN=Cc1cccc(Br)c1C(=O)O	1776011666	DOGKWZLNOXEMCF-UHFFFAOYSA-N	301.096	1.837	50	20	DDGD	
COc1ccc(C=NNC(=O)c2ccc(C(=O)O)cc2)c(C)n1	1776101494	KQKHNYIVPBRAFR-UHFFFAOYSA-N	313.313	1.861	50	20	DDGD	
COc1ccccc1C(=O)NN=Cc1cc(C(=O)O)cn1C	1776042992	SQMDFGJALKUHJG-UHFFFAOYSA-N	301.302	1.496	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1ccccc1O	17574793	HPJAFNHOGSZQEJ-UHFFFAOYSA-N	300.314	1.492	50	20	DDGD	
Cc1ccc(C)c(NC(=O)C(=O)NNC(=O)c2cccnc2)c1	160588422	NJRMGHSQEHXSTH-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCOc2ccc(C)c(C)c2)[nH]n1	153083999	UVZKJBHHHDYONY-UHFFFAOYSA-N	316.361	1.565	50	20	DDGD	
CC[C@H](C)OCC(=O)NNc1nc2ccccc2c(=O)n1CC	155037926	DVWAMNGBPDWGJF-NSHDSACASA-N	318.377	1.675	50	20	DDGD	
CNC(=O)CCCC(=O)NNC(=O)c1cccc2ccccc12	154312056	FOPDFRZRDQOUHQ-UHFFFAOYSA-N	313.357	1.517	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)Cc1cn2ccccc2n1	154972531	VMOAVRYGMKQHCN-UHFFFAOYSA-N	313.361	1.011	50	20	DDGD	
O=C(NC1CC1)c1cc(F)c(NNC(=O)c2cocn2)c(F)c1	159992434	CUJARKPVQCKXEE-UHFFFAOYSA-N	322.271	1.602	50	20	DDGD	
CC(C)[C@H](C)NC(=O)CN(C)NC(=O)OCc1ccccc1	859389272	FDNSIDUJDUWQIO-ZDUSSCGKSA-N	307.394	1.920	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)cnn1C	10125075	SJBMQMYCOSZLPN-UHFFFAOYSA-N	324.344	1.193	50	20	DDGD	
CCNC(=O)NC1(C(=O)NNc2ccc(F)cc2)CCCC1	57200514	STDAYFWFVFPLGM-UHFFFAOYSA-N	308.357	1.901	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NNC(=O)[C@H](CC)c1ccccc1	110964452	ICVHVRVFUAZGKD-CHWSQXEVSA-N	320.393	1.165	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)C(=O)N1CCCC1)c1ccccc1F	102639122	QFYKYOBLKDVVIA-LLVKDONJSA-N	321.352	1.089	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc(-n2cccn2)c(F)c1	104339147	UVZHSVSCPCTHDG-UHFFFAOYSA-N	305.313	1.364	50	20	DDGD	
CC(=O)NNC(=O)CCc1ncc(-c2ccc(F)cc2F)o1	54566612	PKAKSCGTNNVUQM-UHFFFAOYSA-N	309.272	1.720	50	20	DDGD	
CN(C)C(=O)NNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl	117772450	SJUPNAHDSIFHBY-UHFFFAOYSA-N	300.702	1.093	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Cc2cccs2)cc1	119565164	NORKCJBNNAZKIG-UHFFFAOYSA-N	304.371	1.825	50	20	DDGD	
O=C1CCc2cc(C(=O)NNc3ccc(Cl)nn3)ccc2N1	118501704	AOLFNZYLKGBZTO-UHFFFAOYSA-N	317.736	1.772	50	20	DDGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NC[C@H](C)O)c1C	179610184	RJYNGYYAMGRWCM-WPJXSRQUSA-N	319.405	1.716	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)c[nH]1)c1cccc([N+](=O)[O-])c1	21001633	DVWMBUULXXVFAJ-UHFFFAOYSA-N	308.681	1.651	50	20	DDGD	
Cc1cscc1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	175387504	IJZGIDWCPRQLOL-SNVBAGLBSA-N	302.421	1.162	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCc2cccs2)cn1	68456824	CQSIZTDLJDBDEZ-UHFFFAOYSA-N	320.374	1.338	50	20	DDGD	
COc1ccc([C@H](C)CC(=O)NNC(=O)c2cnn(C)c2)cc1	176629257	PBPOKWYFMXSGTJ-LLVKDONJSA-N	316.361	1.384	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)C1=NO[C@@H](c2ccccc2)C1	65191720	VMFCLCHVLMBJIG-CYBMUJFWSA-N	302.334	1.244	50	20	DDGD	
Cc1cc(NNC(=O)CCCc2nc(C3CC3)no2)ncn1	172404729	ABECMAIAKAOXLK-UHFFFAOYSA-N	302.338	1.511	50	20	DDGD	
CSC[C@H](C)C(=O)NNC(=O)COc1cc(C)cc(C)c1	66817238	PNKNPJGDFZTUGJ-LBPRGKRZSA-N	310.419	1.829	50	20	DDGD	
O=C(NCCOc1cccnc1)NNc1cncc(Cl)n1	114603361	YHHKQKITPBGGEY-UHFFFAOYSA-N	308.729	1.230	50	20	DDGD	
COCCOc1ccccc1/C=C(\C#N)C(=O)N[C@H](C)COC	176675572	ZIBQIZVMIKNAEP-QQFZQELXSA-N	318.373	1.770	50	20	DDGD	
CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)NNC(=O)c1ccc[nH]1	118588864	LHTTVRWPACZEHX-DGCLKSJQSA-N	322.409	1.800	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1cccnc1)C1CCCCC1	176394671	DVPJGLZAZUEZJX-GFCCVEGCSA-N	304.394	1.923	50	20	DDGD	
COc1ccc(OC)c(C(=O)NNc2nccnc2Cl)c1	114897539	WTBYKSDQWLZYHG-UHFFFAOYSA-N	308.725	1.904	50	20	DDGD	
O=C(CN1CSCC1=O)NNc1cccc2cnccc12	178476789	XUNLVCFQJINYFI-UHFFFAOYSA-N	302.359	1.211	50	20	DDGD	
Cc1cc(C(=O)N/N=c2/nc(-c3ccccn3)[nH]c(C)c2C)on1	114891046	VBEBOXNXWFYCSJ-UHFFFAOYSA-N	324.344	1.631	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc2cc(F)ccc2o1	117745622	QZFWHJSEGMUROU-UHFFFAOYSA-N	301.277	1.985	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)Cc3ccn[nH]3)[nH]n2)cc1	175465781	QWFBAOMFGMSECG-UHFFFAOYSA-N	324.344	1.112	50	20	DDGD	
O=C(C[C@H]1CCS(=O)(=O)C1)NNc1ccc(Cl)c(F)c1	175437781	MJYYSLLCSAXVNO-MRVPVSSYSA-N	320.773	1.747	50	20	DDGD	
Cc1cc(C(=O)NNc2ncc(F)cn2)c2c(C)nn(C)c2n1	122817755	MAQDXQDHQLYGRJ-UHFFFAOYSA-N	315.312	1.271	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)cc1)NNc1cccnc1Cl	176254246	MFLCHAVVCCPKNX-UHFFFAOYSA-N	322.727	1.747	50	20	DDGD	
O=C(CC1CCCCC1)NCC(=O)NNc1ncc(F)cn1	122710824	ODLXRTDYVRHFFL-UHFFFAOYSA-N	309.345	1.145	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C[C@H](C)c1ccc(F)cc1F	127560126	RMZHWNMGYXTGPM-QMMMGPOBSA-N	322.315	1.951	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)CNC(=O)NCc1ccco1	184380629	TXTUTXLSXWHOEN-UHFFFAOYSA-N	320.324	1.670	50	20	DDGD	
CCOc1cnc(C(=O)NNc2cc(F)cc(OC)c2)cn1	187103724	MNZPTSCPXVICQS-UHFFFAOYSA-N	306.297	1.780	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H]2C[C@H]2c2ccco2)c1O	127598163	RMHFZPAHTVHJBG-GHMZBOCLSA-N	316.313	1.559	50	20	DDGD	
CN1C(=O)CCc2cc(/C=C(\C#N)C(N)=C(C#N)C#N)ccc21	186859075	KNBMOCURLLFFMO-NTUHNPAUSA-N	303.325	1.763	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1cccc([N+](=O)[O-])c1	73117432	HJUWKUPHKBQUOE-UHFFFAOYSA-N	304.262	1.332	50	20	DDGD	
C[C@H]1CCC[C@@](CNC(=O)NNc2cccnn2)(N(C)C)C1	77572683	XTNGTRMOUKSCHT-SWLSCSKDSA-N	306.414	1.613	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccncc1F	184227356	KIRXZYYEJNHVAQ-UHFFFAOYSA-N	319.252	1.595	50	20	DDGD	
Cc1[nH]ncc1CCCNC(=O)NNC(=O)c1ccccc1	45539708	CFBLAIRKWYQZNH-UHFFFAOYSA-N	301.350	1.295	50	20	DDGD	
COc1ccccc1CCC(=O)NNc1nccnc1OC	131757858	VICHOTFLLITSDL-UHFFFAOYSA-N	302.334	1.570	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cccnc1N1CCCCC1	130859271	DKEIUBSIGKLQQB-UHFFFAOYSA-N	304.394	1.879	50	20	DDGD	
CCn1cc(Br)cc1C(=O)NNc1ncccn1	194659317	AYKVWXPNGHSVKE-UHFFFAOYSA-N	310.155	1.817	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)C(=O)NNC(=O)c1cccc(C#N)c1	132577732	UJKOEKROVCLLIV-SECBINFHSA-N	311.345	1.463	50	20	DDGD	
O=C(C[C@H]1CCCCO1)NNC(=O)NCCc1cccs1	87193100	WGJFUHHBFCHGJU-LLVKDONJSA-N	311.407	1.580	50	20	DDGD	
O=C(NCc1nccs1)NNC(=O)c1c[nH]c2ccccc12	80043359	BBISKHUTEJYATJ-UHFFFAOYSA-N	315.358	1.769	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)Cc2ccncc2)ccc1F	83156592	REVCYZSGUZLXPF-UHFFFAOYSA-N	316.336	1.602	50	20	DDGD	
CCCCCN(CC(N)=O)C(=O)/C(C#N)=C\c1ccc(O)cc1	194846619	KKSBOMFRLYOHNX-UVTDQMKNSA-N	315.373	1.803	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)COc1ccc(Cl)cc1Cl	190058619	MWGJFQNXVUMWBQ-UHFFFAOYSA-N	321.160	1.291	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNc1cc(C#N)cc(Cl)n1	93295295	FYQZBNPWMUKQMQ-UHFFFAOYSA-N	305.725	1.897	50	20	DDGD	
CO[C@H]1CCCN(C(=O)NNC(=O)CCCc2ccccc2)C1	94032835	UZSCKOLDQQZWIT-HNNXBMFYSA-N	319.405	1.861	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)/C=C\c2ccc3ccccc3n2)[nH]n1	255223813	UIFLXZSZLMWDHV-HJWRWDBZSA-N	321.340	1.741	50	20	DDGD	
N[C@H]1CCC[C@H](C(=O)NNc2nc(-c3cccnc3)no2)C1	269252732	QFLODXDTAMTGTL-ONGXEEELSA-N	302.338	1.092	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)N[C@@H]1CCSC1	266790644	MAEDXKYGROXNIG-SNVBAGLBSA-N	313.354	1.040	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)CNc2ccc(OC)cc2)O1	268280309	VPXCIMWEUBWZOW-JSGCOSHPSA-N	321.377	1.212	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccnc(OCC(F)(F)F)c1	265978364	YAHTUZHEYBKPRZ-UHFFFAOYSA-N	317.267	1.584	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)NCCCc1ccccc1	264354535	ZTFHTEZKNPOEGZ-UHFFFAOYSA-N	321.377	1.291	50	20	DDGD	
CC(C)(C)OC(=O)CCNC(=O)NNc1cncc(Cl)n1	266877895	RNCSSLPJBUKCQK-UHFFFAOYSA-N	315.761	1.488	50	20	DDGD	
CC1CC(NC(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)C1	268039167	NSFUTYGLLTTWQZ-HSOILSAZSA-N	309.341	1.722	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C(=O)NC(CC)CC)cc1	265863997	HGTOHAQURIVTIB-UHFFFAOYSA-N	321.377	1.151	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCO[C@H](C)C1	272079809	MPXNTUCQBWHGOF-TZMCWYRMSA-N	320.389	1.590	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CCCc3nn(C)cc32)nc1	366895195	JJKKPPBTALPDHY-LLVKDONJSA-N	301.350	1.387	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)[C@@H]1CC12CCOCC2	362862412	FTZDUECAGLSYDR-AWEZNQCLSA-N	318.373	1.167	50	20	DDGD	
CCCCn1nccc1NC(=O)C(=O)NNc1ncccc1C	276773302	ICHUEDDHDIMSPQ-UHFFFAOYSA-N	316.365	1.468	50	20	DDGD	
COCCS(=O)(=O)Oc1ccc(SC#N)cc1OC	270820111	NXXGLWOUSKHMOQ-UHFFFAOYSA-N	303.361	1.623	50	20	DDGD	
COc1nccnc1NNC(=O)C[C@@H](C)NC(=O)C1CCCC1	274065961	JHALHBKPLDJXTO-SNVBAGLBSA-N	321.381	1.013	50	20	DDGD	
COc1ccc(C)cc1NC(=O)C(=O)NNC(=O)C(C)(C)C	271729260	RVWPEAHUQZZZFQ-UHFFFAOYSA-N	307.350	1.136	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2cccc(Cl)c2F)CC1	278783573	ZDJUUJSCUDJAKU-UHFFFAOYSA-N	314.748	1.081	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NOC[C@@H]1CCOC1)c1ccccc1	276268716	JRCBQBBRDUQZQO-OCCSQVGLSA-N	321.377	1.479	50	20	DDGD	
COCCC1(C(=O)NNC(=O)c2cccc(C)n2)CCCC1	279882582	XKHXMMOWXYLJLY-UHFFFAOYSA-N	305.378	1.748	50	20	DDGD	
CCCOCC(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	278565513	RARUCVFYLTYNGH-JTQLQIEISA-N	314.769	1.681	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)Cn1cnc2ccccc21	273603326	WAAAZYQGRYQDQA-UHFFFAOYSA-N	318.377	1.246	50	20	DDGD	
COC(=O)NNC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1	274190565	FWPPHZWWCWHYRK-INIZCTEOSA-N	319.361	1.316	50	20	DDGD	
COCCC[C@H](C)C(=O)NNC(=O)COc1ccc(C#N)cc1	272091848	IYGIPUKEEUOMAN-LBPRGKRZSA-N	319.361	1.147	50	20	DDGD	
CC(=O)N[C@H](CC1CCC1)C(=O)NNc1ccccc1[N+](=O)[O-]	279815482	XRSXEGBRYXOHDD-CYBMUJFWSA-N	320.349	1.733	50	20	DDGD	
CS[C@@H](C)C(=O)NNC(=O)CSc1ccccc1O	270688970	JLCGTLZRYLKIAO-QMMMGPOBSA-N	300.405	1.383	50	20	DDGD	
C[C@H]1C[C@@H](CNC(=O)NNC(=O)c2ccccc2O)CCO1	271580720	QWMISLNQYPJVDH-QWRGUYRKSA-N	307.350	1.151	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1cnc2n1CCCC2	377133848	NQFIZVNMPIQFQB-UHFFFAOYSA-N	323.356	1.818	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H]2CCO[C@H](C3CC3)C2)n1	274141316	CIQJRRGKNYMZPF-RYUDHWBXSA-N	321.381	1.377	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)COc1ccccc1OC	280917113	GYMFJIUWMYOSNW-OAHLLOKOSA-N	310.350	1.037	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)NCCC1(C)CC1	280361412	LGHLBYAGHWDGGE-UHFFFAOYSA-N	321.377	1.595	50	20	DDGD	
O=C(NNc1cccc(F)n1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2	377126390	FTRAMZNKRUVKRC-CHISNJGVSA-N	305.353	1.995	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCOc2cc(O)ccc2C1	285618281	NEQKKGQNWFUHLC-UHFFFAOYSA-N	319.810	1.935	50	20	DDGD	
C=CC[C@H](CC)NC(=O)NNC(=O)c1ccc2c(c1)OCCO2	281156668	BKHIHDHAKWZFEM-LBPRGKRZSA-N	319.361	1.757	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CC[C@H]2C(=O)OC)c1	285817920	NEWREGGHYNNBMM-NWDGAFQWSA-N	306.318	1.116	50	20	DDGD	
C[C@H]1CN(Cc2ccccc2)C[C@@H]1NS(=O)(=O)CCl	389872068	QIKZTWOBXKRIAA-AAEUAGOBSA-N	302.827	1.623	50	20	DDGD	
Cc1cccc(O[C@H](C)CNC(=O)NNc2ccncn2)c1	296332397	FEMPGEWYHFSFEG-GFCCVEGCSA-N	301.350	1.879	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1ccnc(Cl)c1F	802025444	HFNNZKDFGRLXAN-UHFFFAOYSA-N	309.688	1.158	50	20	DDGD	
CCc1nnc(CNC(=O)NNc2ccc(Cl)nc2)s1	291570891	XXBVPSUESIAJMT-UHFFFAOYSA-N	312.786	1.975	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Cn1cc(Cl)cn1	806827575	ATBAIHYEAZJYFC-UHFFFAOYSA-N	308.725	1.006	50	20	DDGD	
Cc1[nH]c(C(=O)NNC(=O)N(C)C)c(C)c1C(=O)OC(C)C	299347569	GBCJLIXFCPEHQT-UHFFFAOYSA-N	310.354	1.113	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)NC2CCCCC2)cc1	298283410	UAKQKYHGEHRFTQ-UHFFFAOYSA-N	319.361	1.750	50	20	DDGD	
O=C(Cn1cc(Cl)cn1)NNc1nc(-c2ccccc2)no1	806774644	AIASBKRADIAZKU-UHFFFAOYSA-N	318.724	1.730	50	20	DDGD	
COc1cc(CC(=O)NNC(=O)NC2CCCC2)ccc1O	294719130	MIKYKCWVXMRGJZ-UHFFFAOYSA-N	307.350	1.216	50	20	DDGD	
CC(=O)N[C@H](CC1CCC1)C(=O)NNc1ncc(F)cc1F	297076883	XGUHCCUQCYLTQD-GFCCVEGCSA-N	312.320	1.498	50	20	DDGD	
COC(=O)Cc1occ(C)c1C(=O)NNc1ncccc1C	290443350	OAOGVQNLNKESIW-UHFFFAOYSA-N	303.318	1.764	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)CCc1ccc(C(N)=O)cc1	295040043	JCUWFLYAIMFEQB-UHFFFAOYSA-N	305.378	1.302	50	20	DDGD	
COc1ccc(OC)c(C(=O)NNC(=O)[C@@H]2CCCCO2)c1	295321737	GPQJCLGZQRCVMG-ZDUSSCGKSA-N	308.334	1.034	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc2cc(OC)ccc2c1	806613124	NLQNQVBMASZOJO-UHFFFAOYSA-N	303.318	1.648	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H]2OCCc3ccccc32)O1	294033264	XQMIDWFVGVTQLS-BPNCWPANSA-N	304.346	1.015	50	20	DDGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1cnn(C)n1	803273503	XOBBSOMORSWZAX-UHFFFAOYSA-N	318.406	1.570	50	20	DDGD	
CN(C)c1cc(C(=O)NNc2cnnn2C)c2ccccc2n1	816769874	ZZTVOSROWJTSPZ-UHFFFAOYSA-N	311.349	1.186	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)CC1)c1ccc(Cl)nc1	814809905	QVLYYVVKDWPBFJ-UHFFFAOYSA-N	301.755	1.029	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cc3c(cn2)CCCC3)n1	813013734	BXJJJVCUELSPNW-UHFFFAOYSA-N	314.349	1.908	50	20	DDGD	
CNc1ccc(C(=O)NNc2ccc(C)c(C(=O)OC)c2)cn1	816688977	OOEJMZCLXVAEHS-UHFFFAOYSA-N	314.345	1.975	50	20	DDGD	
Cc1ccoc1CNC(=O)NNc1ccccc1S(C)(=O)=O	813841172	IICXPNMKZQNZCT-UHFFFAOYSA-N	323.374	1.818	50	20	DDGD	
Cn1cc(Oc2ccccc2C(=O)NNc2cnnn2C)cn1	816769947	DBYCZBSXYNHDOR-UHFFFAOYSA-N	313.321	1.098	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ncc(OC)cn2)cc1	814735094	PYJMUSCLVUQLPE-UHFFFAOYSA-N	300.318	1.122	50	20	DDGD	
CC(=O)N[C@@H](CC(=O)NN(C)C1CC1)c1c(F)cccc1F	819646947	FZOOYSFENYQODR-ZDUSSCGKSA-N	311.332	1.658	50	20	DDGD	
CO[C@H](CC(C)C)CS(=O)(=O)NNC(=O)C1CCCC1	817354882	KFFVRRDQBMJCHS-GFCCVEGCSA-N	306.428	1.188	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H]2CCCN(C(C)=O)C2)cc1	817885997	RXKYEPABMJFMBF-ZDUSSCGKSA-N	305.378	1.787	50	20	DDGD	
O=C1CC[C@@](C(=O)NNc2ccccc2)(c2ccccc2)CN1	816840431	OLMWGEGJBRTUMR-SFHVURJKSA-N	309.369	1.978	50	20	DDGD	
CO[C@H]1CCC[C@H](C(=O)NNC(=O)COc2ccccc2F)C1	814364216	WIVHGAYMIJRVEC-RYUDHWBXSA-N	324.352	1.557	50	20	DDGD	
O=C1COc2ccc(C(=O)NNc3cccc(Cl)n3)cc2N1	817011436	ULBLDNHKNFROAZ-UHFFFAOYSA-N	318.720	1.823	50	20	DDGD	
NC(=O)NNC(=S)NCCc1ccc(Cl)cc1Cl	726433273	DVPJATKPKDHKBX-UHFFFAOYSA-N	307.206	1.583	50	20	DDGD	
CCc1noc(C)c1C(=O)NNC(=O)CNc1ccc(C)cc1	725906442	MIYPROZPBYNADM-UHFFFAOYSA-N	316.361	1.727	50	20	DDGD	
Cc1c(Cl)cccc1NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1	826237006	KTGKYBOAERFWIN-UHFFFAOYSA-N	317.740	1.914	50	20	DDGD	
COc1ccc(Br)c(C(=O)NN(C)[C@@H](C)CO)c1	823986916	BUWPYUUCXSMLOV-QMMMGPOBSA-N	317.183	1.415	50	20	DDGD	
CCOC(=O)NNC(=O)CN(C)c1nc2ccccc2s1	490730077	QVRXEIRIORHWIK-UHFFFAOYSA-N	308.363	1.510	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1c(F)cc(C(F)(F)F)cc1F	823922218	JIUWMTBTJXUJNN-ZCFIWIBFSA-N	312.238	1.941	50	20	DDGD	
Cc1nccn1CCCC(=O)NNC(=O)NCc1ccco1	727647200	VKMTXWFHNFOOBO-UHFFFAOYSA-N	305.338	1.095	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](C)c1noc(COC(C)C)n1	491009445	KFDOGVRDPNMVPX-VUBLIPMDSA-N	308.338	1.616	50	20	DDGD	
Cc1ccc(CC(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1O	826286505	FDKXOPBAKODCFN-UHFFFAOYSA-N	324.344	1.567	50	20	DDGD	
CC[C@H](C)C(=O)NN=Cc1c[nH]c2ccc(-c3nn[nH]n3)cc12	820864223	XMGUBTCYNAYNSE-VIFPVBQESA-N	311.349	1.844	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@@]3(C)CCNC3=O)nc12	828352285	UYMFSNKGMNWUCC-AWEZNQCLSA-N	304.375	1.574	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)[C@H](C)CN1CCCCCC1	491749305	QBUBAPIOEWUXBT-OAHLLOKOSA-N	315.421	1.479	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)C(=O)c1ccc(Cl)cc1	727163893	DZHRWGBJNXJVFE-UHFFFAOYSA-N	308.643	1.623	50	20	DDGD	
C[C@H](C(=O)NN(C)[C@H](C)CO)c1ccc(Br)s1	823951736	MODOQIAIRSZILA-SFYZADRCSA-N	321.240	1.958	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1cc(C(C)=O)ccc1Cl	493645256	PMUJKWJJBPZTFM-UHFFFAOYSA-N	320.754	1.482	50	20	DDGD	
CC1(C)C[C@@H](c2nc(-c3ccc(B(O)O)cc3)no2)C(C)(C)O1	585052241	VXFIUYVJAXHCPE-LBPRGKRZSA-N	316.166	1.478	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)CC(F)(F)F)C1CCCC1	823305365	JBHZYCXNGVALEM-VIFPVBQESA-N	311.304	1.474	50	20	DDGD	
COc1ccc(CCCN(C)CC(=O)NNC(=O)C(C)C)cc1	827479844	ZSYCUXVPGBXPLM-UHFFFAOYSA-N	321.421	1.363	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C1CCN(C(=O)OCC(C)C)CC1	495788896	TWOUUXWYEJGTFR-UHFFFAOYSA-N	321.381	1.692	50	20	DDGD	
Cc1cccc2nc(CCNC(=O)NNC(=O)C3CCC3)cn12	827683817	MMNCIISECWQGKG-UHFFFAOYSA-N	315.377	1.316	50	20	DDGD	
C=CC(=O)NCc1ccc(C(=O)NNc2ncccc2F)cc1	490737211	YJSSNIHHWYANBX-UHFFFAOYSA-N	314.320	1.780	50	20	DDGD	
CC(C)[C@H]1c2ccccc2CCN1C(=O)c1cccc(B(O)O)c1	584959931	MGYIWLBZEAFHSL-SFHVURJKSA-N	323.201	1.762	50	20	DDGD	
Cn1c(S)nnc1CNC(=O)/C(C#N)=C/c1ccc(O)cc1	490910742	RVDBZIRHNUXCRX-UXBLZVDNSA-N	315.358	1.033	50	20	DDGD	
CN(NS(=O)(=O)c1ccc(Cl)nc1)C(=O)OC(C)(C)C	496717701	IIGUFDHESRYYIL-UHFFFAOYSA-N	321.786	1.795	50	20	DDGD	
CC[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(B(O)O)c1	584975561	NVYMEVCITPCSMU-QGZVFWFLSA-N	309.174	1.344	50	20	DDGD	
CC(C)CCOc1ccc(NC(=O)NNC(=O)CC2CC2)nn1	825519615	IHHHMIBARYZXAQ-UHFFFAOYSA-N	321.381	1.854	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)Cc1ccccc1F	732303568	JNLFTGYHRIWQEV-UHFFFAOYSA-N	322.361	1.915	50	20	DDGD	
CC(C)(CN1CCOCC1)C(=O)NNc1ccc(C#N)cc1	821148047	NVAYQRFBGWKYOI-UHFFFAOYSA-N	302.378	1.360	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H]1CC[C@@H]2CCCCN21	900643206	BDGOTKUBRJTSQB-GXTWGEPZSA-N	317.389	1.473	50	20	DDGD	
Cc1ccccc1CCN(C)CC(=O)NNC(=O)C(C)(C)C	830390688	BVOMOXKHHXJURW-UHFFFAOYSA-N	305.422	1.663	50	20	DDGD	
CC(C)COc1ccccc1CNCc1ccc(B(O)O)cc1	585018154	HSATVCUKNXIORX-UHFFFAOYSA-N	313.206	1.691	50	20	DDGD	
CC(C)(C)c1ccc(OCC(=O)NCB(O)O)c(C(C)(C)C)c1	585057583	HIULEGUQKXXJNM-UHFFFAOYSA-N	321.226	1.789	50	20	DDGD	
CC1(c2ccccc2)CCN(C(=O)c2ccc(B(O)O)cc2)CC1	584965622	QXJWBALZNJTRBP-UHFFFAOYSA-N	323.201	1.560	50	20	DDGD	
O=C(NN=C1CCCOc2c(Cl)cccc21)C(=O)NC1CC1	733744501	KCWHLENUMNCLIZ-UHFFFAOYSA-N	321.764	1.612	50	20	DDGD	
O=C(CC1(N2CCOCC2)CCCC1)NCC(Cl)Cl	837649590	RJXYADIJAOUTOE-UHFFFAOYSA-N	309.237	1.941	50	20	DDGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)C(=O)NC1CC1	734434730	AZZQINVALCVQJY-UHFFFAOYSA-N	321.724	1.112	50	20	DDGD	
CC[C@H](C)[C@H](NNC(=O)COc1ccc(OC)cc1)C(=O)OC	905746602	CKQOQMSFQQKBLO-NHYWBVRUSA-N	324.377	1.283	50	20	DDGD	
O=C(NNC(=O)N1C[C@]2(CCCO2)[C@H]1C1CC1)C1CCCC1	836425519	BOTJRCFPCWTSKC-CZUORRHYSA-N	307.394	1.561	50	20	DDGD	
CCc1cccc2c1OCC[C@H]2NCc1cccc(B(O)O)c1	585022249	LGCLLRCFTYRQLG-QGZVFWFLSA-N	311.190	1.542	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CC2CCC1CC2	830190017	HHPLJLFUGWTHOO-BPCQOVAHSA-N	312.410	1.749	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C[C@@H]1CCc2ccccc2C1	732554799	LUPSLBOWDGSIIZ-GFCCVEGCSA-N	312.373	1.674	50	20	DDGD	
CO[C@H]1C[C@@H](NC(=O)NNC(=O)CC(F)(F)F)C12CCC2	838770407	WLSYPSMYFHUYII-SFYZADRCSA-N	309.288	1.227	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)c1cn(C)c2ccccc12	834932375	BXICEXXKOLGZJO-UHFFFAOYSA-N	310.361	1.862	50	20	DDGD	
OB(O)c1cccc(CNCCCCCOC2CCCCC2)c1	585020054	NBGZBRMXJJAKSG-UHFFFAOYSA-N	319.254	1.976	50	20	DDGD	
OB(O)c1ccccc1CNCCSCc1ccsc1	585019388	LMMGPEWIHLDEGN-UHFFFAOYSA-N	307.249	1.451	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@H](C)NC(=O)O)c1	833749400	JTLKVZYIEOGZBE-ZETCQYMHSA-N	314.342	1.108	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)[C@@H]2CCCCO2)CC1(Cl)Cl	836587877	CQLRFYJLHQIOIP-GZMMTYOYSA-N	324.208	1.470	50	20	DDGD	
C[C@@H](COc1ccc(F)cc1)NCc1ccc(B(O)O)cc1	585018030	FPERYIMDGSQEMP-LBPRGKRZSA-N	303.142	1.063	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1occc1Br	735226886	DUSIABFAEOGWRQ-UHFFFAOYSA-N	302.128	1.017	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CN2CCCCC2=O)cc1F	837051091	ADLYYOXGCWZGJF-UHFFFAOYSA-N	323.324	1.068	50	20	DDGD	
CC(C)(C)C[C@@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1	585001071	ULFBXNVLHJOFBP-NSHDSACASA-N	307.174	1.404	50	20	DDGD	
Cc1ccc(CN(C(=O)c2ccc(B(O)O)cc2)C2CC2)cc1	584928341	PSBCYLYACGDOSX-UHFFFAOYSA-N	309.174	1.480	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2ccccc2OC)CCCC1	837407207	XNGNHPDCUNLDAY-UHFFFAOYSA-N	306.362	1.663	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H]2C[C@]23CCCc2ccccc23)o1	585028271	IJTPWIUCSDVZIJ-KBXCAEBGSA-N	311.190	1.343	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CCN(C)[C@@H]2C)c1F	839789055	SYERLTLXWFMWTC-NXEZZACHSA-N	309.341	1.396	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc2ccncc2s1	838170773	JHKIZBGPKJWLJE-MRVPVSSYSA-N	321.358	1.399	50	20	DDGD	
CC(F)(F)CCC(=O)NNC(=O)c1ccc2c(c1)OCO2	915684773	CFDBBTRLASSETC-UHFFFAOYSA-N	300.261	1.612	50	20	DDGD	
Cc1ccc(N2CC[C@@H](NS(=O)(=O)CCl)C2=O)cc1	830688127	INTKOCVYOWPPQL-LLVKDONJSA-N	302.783	1.216	50	20	DDGD	
O=C(NCC(=O)N1CCc2ccccc2C1)NNc1ccccc1	734276545	NTPPKWGTAYLLHT-UHFFFAOYSA-N	324.384	1.898	50	20	DDGD	
CNC(=O)NC1CCN(C(=O)[C@@]2(C)C[C@@H]2Br)CC1	910472426	MEZHGZYTPFBXOK-CABZTGNLSA-N	318.215	1.080	50	20	DDGD	
Cc1ccc(Cl)c2c1NC(=O)C2=NNC(=O)[C@H]1CCCCO1	834988151	FGBSOIATGLYQIJ-SNVBAGLBSA-N	321.764	1.990	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1cccc(C(=O)O)n1	832980969	SDQIPABKHUPHNS-UHFFFAOYSA-N	313.313	1.092	50	20	DDGD	
CC(=O)c1cccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	831057164	DMKOBXIOUVXYMP-MFKMUULPSA-N	305.334	1.467	50	20	DDGD	
COc1cc2c(cc1OC)C(=NNC(=O)CC(C)C)C(=O)N2	915951847	SRGBJKHZJGJNIQ-UHFFFAOYSA-N	305.334	1.522	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Cc1cccc(C2CC2)c1	839655671	VOYLVZFCJDOERH-UHFFFAOYSA-N	309.369	1.892	50	20	DDGD	
CN(NC(=O)c1ccc([S@](C)=O)cc1)C(=O)OC(C)(C)C	838363494	ACVDYFIOFKNDPX-NRFANRHFSA-N	312.391	1.936	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CCN1CCCCCC1	917571913	HMMDKYRWRKBIRU-UHFFFAOYSA-N	300.472	1.546	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=Cc1ccc([N+](=O)[O-])o1	747637848	DQSSSRZPTPYQDQ-UHFFFAOYSA-N	313.273	1.528	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)Cc2ccncc2)cn1	747672122	MKUJKWYJYPXOSY-UHFFFAOYSA-N	317.374	1.046	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2ccccc2O1)NC1CCCC1	840294162	SCKFCGBWLCCUPH-AWEZNQCLSA-N	303.362	1.653	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCCNC(=O)OCc1ccccc1	910171180	UXRZUSQBFKOILN-CYBMUJFWSA-N	323.393	1.037	50	20	DDGD	
C[C@H](COCC(=O)NNc1ncc(F)cn1)c1ccccc1	845895089	MRLGZSHKYALNQI-LLVKDONJSA-N	304.325	1.879	50	20	DDGD	
O=C(O)CCOc1cccc(C=NNC(=O)CC(F)(F)F)c1	746679542	JUORACVANKEGIF-UHFFFAOYSA-N	318.251	1.943	50	20	DDGD	
CCn1nc(C(=O)NN=Cc2ccco2)c2ccccc2c1=O	916321543	OTCZMFGSAVIRNB-UHFFFAOYSA-N	310.313	1.773	50	20	DDGD	
CC1(C)C[C@@H]1NC(=O)NNC(=O)Cn1ccc2ccccc21	840409394	IGMGVTFCZFUWKD-ZDUSSCGKSA-N	300.362	1.770	50	20	DDGD	
NC[C@H]1CC[C@H](CNC(=O)NNc2cncc(Cl)n2)CC1	841994690	HZZSTDKMSXOTRM-MGCOHNPYSA-N	312.805	1.521	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)/C=C(\C)C2CC2)c1	917565807	QKZMDFBNKXHXCU-UXBLZVDNSA-N	304.346	1.821	50	20	DDGD	
COc1cccc(S(=O)(=O)NCCCSC#N)c1F	917000908	YSIVUTFCKFFNJI-UHFFFAOYSA-N	304.368	1.717	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1ccc[nH]1)N1CCc2ccccc21	847297865	NEMVFICLSRLKFT-LBPRGKRZSA-N	312.373	1.617	50	20	DDGD	
CC(C)n1ccc(CC(=O)NNC(=O)NCc2ccco2)n1	742586275	UDOXWRNFTBJZRF-UHFFFAOYSA-N	305.338	1.130	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1cncc2ccccc12	743468360	DALQEGLUZPXOMP-UHFFFAOYSA-N	305.301	1.658	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=Cc1ccccc1Cl	743446567	ZTCFCRZCAFMFKK-UHFFFAOYSA-N	306.709	1.234	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)Cc2ccc(F)cc2)CS1	840420305	ZLSKYBMJHAUUPQ-JOYOIKCWSA-N	311.382	1.593	50	20	DDGD	
O=C(O)Nc1cccc(C(=O)NNC(=O)Cc2ccsc2)c1	740033227	HSXJJHINYHBJQD-UHFFFAOYSA-N	319.342	1.842	50	20	DDGD	
C=C[C@H](C)ONC(=O)NNC(=O)c1ccc(OCC)c(OC)c1	845640412	WWQUGYSZRAAKLM-JTQLQIEISA-N	323.349	1.544	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c(C)[nH]1	914747540	UAKJFZBLFTYARP-UHFFFAOYSA-N	302.290	1.615	50	20	DDGD	
O=C(CSc1cccc[n+]1[O-])NNc1c(F)cccc1F	748175841	ROOMYRMUBDLRNF-UHFFFAOYSA-N	311.313	1.834	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccc2cc[nH]c2c1	918709202	XMPYRYUHDSNSNT-UHFFFAOYSA-N	300.240	1.674	50	20	DDGD	
Cc1nn(-c2ccc(C(=O)NN)cc2)c(C)c1Br	914715824	INDKGZWCAUOILK-UHFFFAOYSA-N	309.167	1.855	50	20	DDGD	
NC[C@@H]1CCCC[C@@H]1NC(=O)NNc1cccc([N+](=O)[O-])c1	841950642	VEBBPDRCQSXYQE-GWCFXTLKSA-N	307.354	1.738	50	20	DDGD	
CC(C)Oc1ncc(C(=O)NNC(=O)N(C)C)cc1Cl	746014289	DBVMEXDQXSFBTH-UHFFFAOYSA-N	300.746	1.438	50	20	DDGD	
Cc1ccccc1[C@@H]1C[C@H]1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	845379959	NEHODNYZRVFAML-UQOMUDLDSA-N	317.389	1.606	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)CC(F)(F)F)c1cccc(C#N)c1	745923089	LGUVSRYMPGEOEK-MRVPVSSYSA-N	314.267	1.902	50	20	DDGD	
O=C(NCCCOC1CCOCC1)NNC(=O)C1CCCC1	745845373	NGRXFMIMZSDFMA-UHFFFAOYSA-N	313.398	1.093	50	20	DDGD	
C/C(=C/c1ccco1)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	848838156	WKCCUXFFPXTOSK-MMRAYRKESA-N	322.361	1.808	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)c(Cl)c1	844572438	FACOBDAYGNMCST-NSHDSACASA-N	314.794	1.533	50	20	DDGD	
CC[C@@H](C)C(=O)NN=Cc1ccccc1OCC(=O)N(C)C	920375034	ONMFFPSOXDTNMW-GFCCVEGCSA-N	305.378	1.650	50	20	DDGD	
CCN1CCC[C@H](NC(=O)[C@@]2(C)C[C@@H]2Br)C1=O	928864606	FSRGZETYCYCKGA-AUTRQRHGSA-N	303.200	1.287	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)CCOC1	754359839	YFOUJRIMKLKTCF-MRXNPFEDSA-N	301.346	1.284	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cnc(C2(C)OCCO2)s1	858286541	YLGKIAGVUDAYFM-UHFFFAOYSA-N	313.379	1.170	50	20	DDGD	
CCOC[C@@H](C(=O)OC)N(C)C[C@H](CBr)C1CC1	859200720	KIRMJPZBYGKMSV-RYUDHWBXSA-N	322.243	1.917	50	20	DDGD	
CC(C)c1ncc(C=NNC(=O)C(=O)Nc2ccccn2)s1	758382702	YUDJVFPOVIFVEK-UHFFFAOYSA-N	317.374	1.750	50	20	DDGD	
CCC[C@@H](CNC(=O)NNc1ccc(Cl)nn1)OCC	858684197	QVYGSBXJLFRKTP-VIFPVBQESA-N	301.778	1.961	50	20	DDGD	
CCn1nccc1C=NNC(=O)[C@H]1COc2ccccc2O1	753692327	HYCODCOSUFNFHV-CQSZACIVSA-N	300.318	1.193	50	20	DDGD	
CCN(CC)C[C@@H](C)NC(=O)NNC(=O)c1ccccc1O	921120060	GIDFRWXKXBDPCM-LLVKDONJSA-N	308.382	1.067	50	20	DDGD	
CC(C)CCn1ccc(NC(=O)NNC(=O)c2ccccn2)n1	757708045	CJYOTRZYKDUZBS-UHFFFAOYSA-N	316.365	1.791	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1cnn(-c2ccccc2)n1	757827483	SFHSOPRZKYUGHF-UHFFFAOYSA-N	323.316	1.129	50	20	DDGD	
CC(C)[C@@H](Cc1ccc(F)cc1)NCC(=O)NNC(=O)C1CC1	754228088	KJHCTWVQBATZSX-OAHLLOKOSA-N	321.396	1.540	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccccc1OCCN(CC)CC	755612895	YEUQJABDPIARFW-UHFFFAOYSA-N	322.409	1.970	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCCC2)nc1)N1CCOCC1	758375405	SYNZIJSEGXQOSS-UHFFFAOYSA-N	303.366	1.058	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@H]1CCN1C1CCCC1	858087479	YSMBJMKYPIPFFO-CYBMUJFWSA-N	306.366	1.127	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)CNc2ccc(OC)cc2)cn1	920986561	IYFYPJPKJUHOPU-UHFFFAOYSA-N	315.377	1.864	50	20	DDGD	
CNC(=O)NN=Cc1ccc(-c2ccc(C(=O)OC)cc2)o1	920377093	JKOQLVSNRNBEIL-UHFFFAOYSA-N	301.302	1.996	50	20	DDGD	
CN(C)C(=O)N1CCN(/C(=C\C#N)c2ccc(F)cc2)CC1	750606466	GFQNBVPWJKQLKX-CHHVJCJISA-N	302.353	1.989	50	20	DDGD	
CNC(=O)NNC(=O)C1CCC(NC(=O)CC2CCCC2)CC1	751363442	WKJVUODDCNRJLO-UHFFFAOYSA-N	324.425	1.202	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1nnc(-c2ccccc2)o1)C1CC1	853293901	WFZKCLAMDDAEJC-LBPRGKRZSA-N	300.318	1.877	50	20	DDGD	
CNC(=S)N(C)NC(=O)C(C)(C)Oc1ccc(Cl)cc1	854926758	KNHPCZLUOJJDHE-UHFFFAOYSA-N	315.826	1.965	50	20	DDGD	
COc1cccc(CC(=O)NNC(=O)OCC(F)(F)F)c1	856026876	PUAZAZIJGTXHPW-UHFFFAOYSA-N	306.240	1.557	50	20	DDGD	
O=C(CC[C@@H]1CCCNC1)NNc1nc(-c2ccncc2)no1	857003214	STIQIJSLTUJIPL-NSHDSACASA-N	316.365	1.355	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ncc(F)cc2F)[C@H]2CCCC[C@H]2N1	854898776	BTZWBFUEERWFOI-JFGNBEQYSA-N	324.331	1.498	50	20	DDGD	
CC(CN1C(=O)CCC1=O)=NNC(=O)CNc1ccc(C)cc1	754910430	NTJJIZYHKBUSGE-UHFFFAOYSA-N	316.361	1.048	50	20	DDGD	
Cn1cncc1C=NNC(=O)c1cccc(Br)c1	755746773	RSGKYNJVVUAVIM-UHFFFAOYSA-N	307.151	1.947	50	20	DDGD	
COC(=O)N1CCC(C(=O)NNc2cc(C)nc(C)n2)CC1	857130249	GWTOQITZYWMNTD-UHFFFAOYSA-N	307.354	1.015	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(Cl)cn1)n1cc([N+](=O)[O-])cn1	856094010	UXCFFDBGCLGDDS-UHFFFAOYSA-N	324.728	1.718	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cc(C)n(C)n2)c1C	855626856	BMNARCRQULFZLO-UHFFFAOYSA-N	302.334	1.580	50	20	DDGD	
COCC1(C)CN(C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	856954248	HTLBIPZDKWTBBN-JOYOIKCWSA-N	305.216	1.838	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)C(C)(C)C)c1cc(C)n(C)n1	853408122	JNAVGQOEWQNCIR-UHFFFAOYSA-N	321.425	1.511	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)Cc1cn(C)nn1	855850261	UWHAUZFNFCQSTN-UHFFFAOYSA-N	310.789	1.139	50	20	DDGD	
C[C@@](NC(=O)NNC(=O)Cc1cc[nH]n1)(C1CC1)C(F)(F)F	933578050	DQUGBHUQBNNDHR-LLVKDONJSA-N	319.287	1.014	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCC(=O)NC1CCCC1	751728143	VZXYGOXISKXOBH-LCYFTJDESA-N	315.348	1.908	50	20	DDGD	
CCO[C@H]1CCCC1=NNC(=O)[C@H]1COc2ccccc2O1	766430455	LDSAUQKRBNLVTO-SWLSCSKDSA-N	304.346	1.888	50	20	DDGD	
CC(C)[C@@H]1CCCCC1=NNC(=O)[C@H](C)NS(C)(=O)=O	764687605	SMURJUWJNPDMEN-QWRGUYRKSA-N	303.428	1.243	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNC(=O)CNc1ccc(C)cc1	863854230	XHKGZSPXPLVOCZ-CQSZACIVSA-N	307.394	1.760	50	20	DDGD	
CS/C=C\C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	767649602	KQNLFRRJSJHXJN-FPLPWBNLSA-N	308.359	1.176	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1ccc(O)c(Cl)c1	869068390	PMCQMCNHBYNSHP-SCZZXKLOSA-N	312.753	1.161	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C2CC(c3cc(F)cc(F)c3)C2)N1	863150203	PIIVKVSYXITSAJ-WCRCJTMVSA-N	307.300	1.593	50	20	DDGD	
CSCCNC(=S)NNC(=O)Cc1cccnc1Cl	867163004	XGFSGHJGPJPAJQ-UHFFFAOYSA-N	318.855	1.136	50	20	DDGD	
CC(C)O[C@H](C=NNC(=O)CS(C)(=O)=O)c1ccccc1	863185774	BRHHOWZNWRSXRN-CYBMUJFWSA-N	312.391	1.299	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	862151534	SUYLHGRMHIWUPX-SOUVJXGZSA-N	315.442	1.868	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNc2ncncc2Cl)cc1F	765534947	FTHMQXWQCXGGJH-UHFFFAOYSA-N	323.715	1.984	50	20	DDGD	
COCCn1cc(C(=O)NNc2cccc(C(=O)OC)c2)cn1	867292033	KTQXXKSIVZRKOA-UHFFFAOYSA-N	318.333	1.073	50	20	DDGD	
O=C(NNC(=O)c1cccc2cccnc12)c1cccc(F)n1	764063310	OWNJEVNLGXYYAH-UHFFFAOYSA-N	310.288	1.844	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)cc[nH]1	862511418	OTABHGHKFHHQJG-KRWDZBQOSA-N	321.384	1.796	50	20	DDGD	
NC(=O)C(=O)NN=CCCCc1ccc(Cl)c(Cl)c1	768763085	ACIPNWZKZDDQQC-UHFFFAOYSA-N	302.161	1.903	50	20	DDGD	
CCCCOc1cccc(NC(=O)C(=O)NNC(=O)C(C)C)c1	763821623	VLOWKZWKIUVARD-UHFFFAOYSA-N	321.377	1.607	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(C)s1	760240171	UIUJQKIQTLOBMU-SNVBAGLBSA-N	300.405	1.250	50	20	DDGD	
CO[C@H](C)CC(=O)NNC(=O)c1ccc(Br)cc1	1115928531	RBWYIRWMNWDZSH-MRVPVSSYSA-N	315.167	1.635	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)OCC(=O)[C@H]1CCOC1	766750981	KAVKXLUDIHPWQM-WCBMZHEXSA-N	307.184	1.945	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c(C)nn1	767163860	AVTQSJZEMPINSR-UHFFFAOYSA-N	315.289	1.076	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@]1(C)CCCOC1	873768870	FMLIYQXJRGFPDN-OAHLLOKOSA-N	323.418	1.830	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2csc(C=O)c2)cc1	1116243092	KYGNSZTVLJGCHQ-UHFFFAOYSA-N	304.327	1.644	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H]2CC2(F)F)cn1	874955176	KDESZAPFCYAWDJ-ZETCQYMHSA-N	302.306	1.063	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCN1c2ccccc2C[C@H]1C	875174469	VYMJYNZQVKHDGG-LLVKDONJSA-N	306.366	1.350	50	20	DDGD	
C[C@@H]1[C@H](NC(=O)NNc2c(F)cccc2F)CCS1(=O)=O	875870979	YWMXTYRZVQQWOI-GMSGAONNSA-N	319.333	1.167	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1cnc(OC)c(Cl)c1	872400097	HSQPFGLSNPCFPH-UHFFFAOYSA-N	315.757	1.247	50	20	DDGD	
CC(=O)N1CCC(=NNC(=O)c2ccc[nH]2)c2ccccc2C1	778540261	MZUGKGQZVYFVIZ-UHFFFAOYSA-N	310.357	1.901	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc(F)c1Cl)c1nncn1C	875098654	YJCHMGYLOMHOIN-SSDOTTSWSA-N	312.736	1.995	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCSC2(CCOCC2)C1	770404681	DOOBWTSDWQBQED-UHFFFAOYSA-N	315.439	1.371	50	20	DDGD	
CC(=O)CCC(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	773173748	YXWJWKCYZJKZPA-JTQLQIEISA-N	312.753	1.624	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@H]3C[C@@H](O)C3)cc2C1	873810197	IDGKZZXJMITZOG-IEBDPFPHSA-N	308.403	1.405	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1Cl)C1(O)CCOCC1	773458425	IOAJCTJGNPREBX-UHFFFAOYSA-N	305.161	1.978	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)c2ccccc2C)nc1	775093913	BVRMENJIUHCPJM-UHFFFAOYSA-N	314.345	1.543	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cccnn1	882057057	MFZBZMLFQPXYMF-YNEHKIRRSA-N	302.378	1.844	50	20	DDGD	
C[C@H](CS(C)(=O)=O)C(=O)NNc1c(F)cc(F)cc1F	885152210	YELQCBKSFBGCKK-ZCFIWIBFSA-N	310.297	1.228	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCSC[C@H]2C)c1	777588620	KELMSGCBAXYEOD-GFCCVEGCSA-N	307.419	1.193	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCCOc1ccc(OC)cc1	887139133	BYTGEKISNVRTFW-UHFFFAOYSA-N	318.373	1.805	50	20	DDGD	
COC(=O)[C@H](C)n1cccc1C=NNC(=O)c1cccn1C	774590616	XDQFMTFZBAQUOW-NSHDSACASA-N	302.334	1.325	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C	887151633	FKQJPGBERBRIGQ-CYBMUJFWSA-N	324.421	1.941	50	20	DDGD	
Cc1ccncc1[C@@H](C)NCC(=O)NNC(=O)c1cccs1	783002699	UWTUGCALOWNBCX-LLVKDONJSA-N	318.402	1.563	50	20	DDGD	
C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NN=c1cc[nH]cc1	780753917	VVYQHLXYDSDRRS-GFCCVEGCSA-N	308.341	1.462	50	20	DDGD	
O=C(Cn1cnc2sccc2c1=O)NNc1ccnc(F)c1	781365392	IYGBWMMXVWWCGZ-UHFFFAOYSA-N	319.321	1.135	50	20	DDGD	
CS[C@@H](CNC(=O)NNC(=O)Cc1ccncc1)C(C)(C)C	784475365	FOLZLSNEFGPUQZ-LBPRGKRZSA-N	324.450	1.732	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)N[C@@H]2CC[C@H](C)C2)c1	780789239	MRODHGZVQXPWQX-CMPLNLGQSA-N	321.377	1.836	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1oc(C2CC2)nc1C(F)F	1123899198	VYYREJMYDQWUIA-UHFFFAOYSA-N	304.322	1.571	50	20	DDGD	
O=S(=O)(CCCCCl)Nc1cc(CO)cc(CO)c1	882756308	WQRXSOXAMRDUTO-UHFFFAOYSA-N	307.799	1.432	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(F)c(Br)c1	780707962	AMWXADQRSXUJHP-UHFFFAOYSA-N	318.146	1.894	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc(OCCN(C)C)c1	785846001	WZYLWUOAKLTBLV-UHFFFAOYSA-N	323.397	1.325	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)C(=O)Nc1cncnc1	784309575	RVIRNHVWAKUJCD-UHFFFAOYSA-N	323.259	1.160	50	20	DDGD	
Cc1nn(C(C)(C)C)cc1C(=O)NNC(=S)NC(C)(C)C	784599129	XRDZDGMWSIIZHL-UHFFFAOYSA-N	311.455	1.854	50	20	DDGD	
C=CCS(=O)(=O)CCNC(=O)NNc1ccc(F)cc1	783303578	ITOMHUQEXIFPRK-UHFFFAOYSA-N	301.343	1.053	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNc2nccc3sccc23)n1	782118775	VIYDGSJQNMDZCO-UHFFFAOYSA-N	313.342	1.547	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Nc2cccc3c2CCO3)cc1	797670989	BUYONRAGDBHKDD-UHFFFAOYSA-N	322.324	1.960	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNc1ccccc1S(C)(=O)=O	791068201	RQKDODYNBIUABN-LLVKDONJSA-N	309.391	1.518	50	20	DDGD	
COc1cc(NNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)ccc1Cl	790166387	YEFSVPOUYUVGMS-SECBINFHSA-N	323.780	1.803	50	20	DDGD	
Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NNc1ccccc1	792260526	NRKGNXLMHZHQGS-MRXNPFEDSA-N	301.346	1.051	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)COc2ccccc2CC)no1	895443550	GAAWIESGZLLEMS-UHFFFAOYSA-N	317.345	1.639	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@H](O)c1ccccc1	792798939	TYVFJBQIPXMAOZ-MRXNPFEDSA-N	314.341	1.119	50	20	DDGD	
Cn1cc([N+](=O)[O-])cc1C(=O)NNc1cccc(F)c1[N+](=O)[O-]	790588070	AHNLZNICGDXBMX-UHFFFAOYSA-N	323.240	1.738	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2c(CO)cnc(C)c2O)n1	794565453	HCFWLAQLDHUDTD-UHFFFAOYSA-N	300.318	1.055	50	20	DDGD	
Nc1cnnc(NNC(=O)NCc2ccccc2F)c1Cl	1319190869	SYMMGZRIJCBIOM-UHFFFAOYSA-N	310.720	1.678	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc(=O)n(C)c2ccccc12	1317905259	PGHYFWXEQYHPDL-UHFFFAOYSA-N	318.402	1.056	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1NC(=O)NNC(=O)c1ccc[nH]1	1320994815	ZDVWHCGZMXJFDW-UHFFFAOYSA-N	304.354	1.512	50	20	DDGD	
COC(=O)c1ccc(CCC(=O)NNc2ccn(C)n2)cc1	1320978958	WXCUDRHBIAIECR-UHFFFAOYSA-N	302.334	1.283	50	20	DDGD	
CC(C)Oc1ncccc1NC(=O)NNC(=O)C1CCNCC1	1328680560	GOWZHWUNDCDHKY-UHFFFAOYSA-N	321.381	1.021	50	20	DDGD	
CN1C[C@H]2CN(S(=O)(=O)c3ccc(CCl)cc3)C[C@H]2C1	705667288	IXRVNJSPGXDUTO-BETUJISGSA-N	314.838	1.608	50	20	DDGD	
CC[C@@H]1C[C@H]1NC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1329537497	AHOMUCGZJUDVBE-KZFFXBSXSA-N	303.200	1.191	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N=c2cc[nH]cc2)c(C)n1C1CC1	1321780194	YNDXOIUIFIUHPG-UHFFFAOYSA-N	313.361	1.723	50	20	DDGD	
C[C@H](C(=O)NNc1ccccc1S(C)(=O)=O)n1cccc1	1253831572	GUHDCMDUXDAFEQ-LLVKDONJSA-N	307.375	1.596	50	20	DDGD	
COC(=O)N(C)NC(=O)C12CC(CN1C(=O)OC(C)(C)C)C2	1335922522	PXBCGDKJCCCEOB-UHFFFAOYSA-N	313.354	1.115	50	20	DDGD	
Cn1nccc1COCC(=O)NNc1ccc(C(C)(C)C)nn1	1259857988	MMJDTEKVICEJFB-UHFFFAOYSA-N	318.381	1.168	50	20	DDGD	
CC(=NNC(=O)c1n[nH]c2c1CCCC2)c1cnn(C)c1C	1254293806	CJFBXQUGFCXBKZ-UHFFFAOYSA-N	300.366	1.484	50	20	DDGD	
C[C@H]1CCc2nc(C=NNC(=O)c3ccnnc3)sc2C1	1331541185	LSNFPWCUUXBOIM-VIFPVBQESA-N	301.375	1.822	50	20	DDGD	
C=C(C)CN(C)c1nnnn1C[C@@]1(C)C[C@H]1Br	1334617338	RSHKBNWZAZVXNW-MWLCHTKSSA-N	300.204	1.859	50	20	DDGD	
Cc1nnc(NNC(=O)c2cncnc2-c2ccccc2)nc1O	1261200225	QFWNJYGUQDXEMS-UHFFFAOYSA-N	323.316	1.100	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1COc2c(F)cc(F)cc2C1	1263762126	VSIIQPCEBVPYAF-SECBINFHSA-N	315.276	1.181	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccc(C(C)(C)C)nn1	1342420428	GNPNYNAOCXELGH-UHFFFAOYSA-N	317.353	1.272	50	20	DDGD	
C[C@@]1(NC(=O)NNc2c(F)cc(F)cc2F)CCOC1=O	1347509982	LMQLVCPZHOMAFZ-GFCCVEGCSA-N	303.240	1.436	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H]1CO)c1c(Cl)cccc1Cl	1340648837	IIGZPVPFCYACCQ-ZETCQYMHSA-N	318.160	1.414	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2cc(C(F)(F)F)ccn2)CC1	1353699706	LIRGEEPJFXWEIG-UHFFFAOYSA-N	323.296	1.121	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CCC(=O)c3cccn32)nc1	1602384202	CNFINSAWTYEPHQ-NSHDSACASA-N	314.301	1.242	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2CC[C@H]3CCCCN32)cc1F	1602385083	QSTMBNLFBSISPC-BXUZGUMPSA-N	321.352	1.984	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1ccc(-c2nn[nH]n2)cc1	1606854164	HUCUIRYMXTVPBH-UHFFFAOYSA-N	323.316	1.333	50	20	DDGD	
Cc1nc(N(C)C)sc1C(=O)NNc1cccc(C(=O)O)c1	1600709155	YGYCBXHTRMMTTN-UHFFFAOYSA-N	320.374	1.973	50	20	DDGD	
O=C(O)CC[C@H]1C[C@@H](C(=O)NNc2ccnc(Cl)c2)CO1	1606110804	AYXVFXUQRSPDRO-SCZZXKLOSA-N	313.741	1.448	50	20	DDGD	
O=C(NCC[C@H]1CCCO1)NNc1ccc(F)c(C(=O)O)c1	1608451093	SEHXDWVNQNNYBE-SNVBAGLBSA-N	311.313	1.719	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1	1601554164	NDHQKPIPFVXIIR-CMCSKWMBSA-N	311.288	1.844	50	20	DDGD	
CC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)O	1801957743	NUPVXFMDQLICBG-HHHUOAJASA-N	302.802	1.023	50	20	DDGD	
COCC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)C1CCCC1	1549322545	ZXOWHKTXYDEDHI-ZFWWWQNUSA-N	309.410	1.158	50	20	DDGD	
C[C@@H]1COCCC1=NNC(=O)[C@H]1CCCO[C@@H]1c1nccn1C	1549309898	KPFKXDCOQQFGRR-DYEKYZERSA-N	320.393	1.416	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@H]1C(=O)NN=Cc1cscn1	1549308514	HYNFXMXRLULTOM-NEPJUHHUSA-N	319.390	1.495	50	20	DDGD	
OCCO[C@H]1CCCN(C[C@H](CBr)C2CC2)C1	859142123	SXDFJGYXFNXCIN-STQMWFEESA-N	306.244	1.881	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C=NNC(=O)C1CCOCC1	1552919523	KTSMXRPHHDXPME-ZIAGYGMSSA-N	320.393	1.416	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2ccc(N)cc2)ccc1F	1578860262	JJUYFPFWVSZGQO-UHFFFAOYSA-N	303.293	1.951	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@H]2C[C@H]3CC[C@@H]2N3)cc1C	1578061295	XXJWESIJIKZJBN-UGFHNGPFSA-N	317.389	1.755	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C[C@H]2NCc3ccccc32)n1	1579750115	CIEFISYVZLKXMK-OAHLLOKOSA-N	310.357	1.386	50	20	DDGD	
CNNC(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C	1578741122	DKWKDROYPWNING-UJMHRVFCSA-N	302.378	1.442	50	20	DDGD	
N#Cc1cccc(C2(C(=O)NNc3ncccc3C(=O)O)CC2)c1	1594625077	CNPNIYQNACTAHX-UHFFFAOYSA-N	322.324	1.826	50	20	DDGD	
CN1CCCC[C@@H](C(=O)NNc2cccc(C(=O)O)c2F)C1=O	1598598257	LWHRFKFKGVYMBG-JTQLQIEISA-N	323.324	1.226	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@H](C)C(=O)O)c1	1594350325	ZFKZLKSKIHPBDC-NSHDSACASA-N	322.361	1.365	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@H](Cc1cccc(C)c1)C(=O)O	1596864354	SEASSCUHKKOOPV-AYYGCFCKSA-N	316.357	1.799	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@H]1CCOC2(CCC2)C1	1595261520	CXJFELVSKVTQOZ-JTQLQIEISA-N	305.334	1.572	50	20	DDGD	
N#CCc1ccccc1C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1592680892	NCOZVLRYRIHZDA-UHFFFAOYSA-N	320.316	1.085	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1cccc(F)c1-c1nn[nH]n1	1593166562	GPCGQJJBDMZHMU-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
O=C(O)c1cc(C(=O)NNc2ccccc2C(F)(F)F)[nH]n1	1594782245	ULUJPTAYYFGBFI-UHFFFAOYSA-N	314.223	1.884	50	20	DDGD	
CCCn1cc(C(=O)NNc2cccc(C(=O)O)c2C)nn1	1596112189	TURQLVPNNIANJU-UHFFFAOYSA-N	303.322	1.452	50	20	DDGD	
O=C(/C=C\c1ccc(C(=O)O)o1)NNC(=O)Cc1ccsc1	1594672665	QCHQYTPOPMRULR-RQOWECAXSA-N	320.326	1.443	50	20	DDGD	
NC(=O)Nc1ccc(C(=O)NNc2ccccc2[N+](=O)[O-])cc1	14217581	QAJMOVCSLHETIX-UHFFFAOYSA-N	315.289	1.842	50	20	DDGD	
O=C(NNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1	17171290	BPCCIVYDDWPOHZ-UHFFFAOYSA-N	301.258	1.375	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCOC1)c1cc(-c2cccs2)n[nH]1	151098810	DQTBXDNYZKQMHX-VIFPVBQESA-N	320.374	1.326	50	20	DDGD	
Cc1nccn1CCCC(=O)NNc1ncccc1[N+](=O)[O-]	153068473	RFINWCJKMXJKMR-UHFFFAOYSA-N	304.310	1.418	50	20	DDGD	
Cc1c(C(=O)NNc2ncnc3nc[nH]c23)cnn1CC(C)C	153544141	OLBNBZPPINFJOZ-UHFFFAOYSA-N	314.353	1.271	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cc(=O)[nH]c2cc(F)ccc12	155141660	FJDYFMHQUVLSAJ-UHFFFAOYSA-N	319.336	1.864	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1cccc2cn[nH]c12	154161188	LZGXFSCDWAIABY-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCc2ncccc2F)c1	155416023	RXLWFJYWTNGPAG-UHFFFAOYSA-N	313.292	1.237	50	20	DDGD	
Cc1[nH]c(-c2ccccn2)n/c(=N/NC(=O)c2cccn2C)c1C	159272877	NZSZHSGNLPKCPL-UHFFFAOYSA-N	322.372	1.673	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](C)CN2C[C@@H](C)C[C@H](C)C2)nn1	106335242	OBXAUDHGXGQRDK-OBJOEFQTSA-N	320.441	1.778	50	20	DDGD	
CNC(=O)NNC(=O)c1sc(-c2ccc(F)cc2)nc1C	56375237	ORZMLTVCZJFSPB-UHFFFAOYSA-N	308.338	1.831	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2occc2C)cc1	55707149	TXFXIYUADQYOKO-UHFFFAOYSA-N	302.330	1.990	50	20	DDGD	
O=C(NNC(=O)[C@@H]1OCCc2ccccc21)NC1CCCCC1	178860262	XSVTTYFCQJXKME-OAHLLOKOSA-N	317.389	1.964	50	20	DDGD	
Cc1ccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)s1	58584362	NCSNFUOVIQCPGS-JTQLQIEISA-N	302.421	1.162	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2cccc(F)c2)c(O)c1	53604437	VGEVYHHCVNQEBA-UHFFFAOYSA-N	302.305	1.843	50	20	DDGD	
COc1ccccc1OCCC(=O)NNC(=O)c1ccc(C)o1	175841726	BNRZAUOOMDWBDO-UHFFFAOYSA-N	318.329	1.827	50	20	DDGD	
CCC[C@H](NNC(=O)c1cccc(N(C)C)c1)C(=O)OCC	173836078	RUSIRXIWDPLQJD-AWEZNQCLSA-N	307.394	1.719	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)c2cccc(C#N)c2)cc1	24061212	WFDNDNRTEIOUOC-UHFFFAOYSA-N	309.325	1.571	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Cn1ccc2ccc(Cl)cc21	113425369	IOVAFGKIWBXYHT-UHFFFAOYSA-N	308.769	1.004	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	66791435	YKAIQVUFDLNXDT-UHFFFAOYSA-N	315.414	1.875	50	20	DDGD	
COc1cc(C)cc(C(=O)NNc2cc(C)nc(C)n2)c1O	172373958	KHBLNUBEWJRHNT-UHFFFAOYSA-N	302.334	1.873	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1c(C)[nH]c2ccccc12	65206798	SDAVMBOXRDKVAM-UHFFFAOYSA-N	304.350	1.457	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CCn1cc(C)cn1	67436580	FYIOTXPEMNLSDT-UHFFFAOYSA-N	302.334	1.051	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCc2cccnc2)c1	29657435	VFYYUJBQKVXHJI-UHFFFAOYSA-N	314.345	1.299	50	20	DDGD	
CCCCNC(=O)NNC(=O)CNC(=O)Nc1cccc(C)c1	64425430	VMAJZNYBEWJZNJ-UHFFFAOYSA-N	321.381	1.247	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNC(=O)CNc2ccc(C)cc2)c1	69904084	NZYDTNCUXLHPNN-UHFFFAOYSA-N	314.345	1.399	50	20	DDGD	
COc1ccc(C)cc1CCNC(=O)NNc1ncccn1	121175252	WEJRORNMDDGREN-UHFFFAOYSA-N	301.350	1.662	50	20	DDGD	
COCc1cccc(CC(=O)NNC(=O)c2cccn2C)c1	186274688	YJGVIOMSCTXABH-UHFFFAOYSA-N	301.346	1.175	50	20	DDGD	
COCCOc1ccccc1C(=O)NNc1ncc(F)cn1	122930308	QSJACZKBGYYLLU-UHFFFAOYSA-N	306.297	1.398	50	20	DDGD	
CCN(CC(=O)NNc1cccc(S(C)(=O)=O)c1)C1CC1	181117459	NBHIGDOGOGQFCX-UHFFFAOYSA-N	311.407	1.018	50	20	DDGD	
Cc1sc(=O)n(CC(=O)NNc2cccnc2Cl)c1C	128399964	QVTQDGUNTZDJBJ-UHFFFAOYSA-N	312.782	1.718	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)c1ccc(C)o1)c1ccc(C)o1	84455439	QRDRTUBQWRCKIY-LLVKDONJSA-N	321.333	1.821	50	20	DDGD	
CCN(CC(=O)NNC(=O)NCc1ccc(Cl)cc1)C1CC1	191604283	PGFAXXCPRMTFIR-UHFFFAOYSA-N	324.812	1.655	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cc1ccc2c(c1)CCO2)C1CC1	83675938	XJBAPBZNWIUKRP-SNVBAGLBSA-N	319.430	1.458	50	20	DDGD	
C[C@H]1CCCN(CCNC(=O)NNC(=O)c2ccccc2)C1	46391951	RWQJFFGOUBKBDY-ZDUSSCGKSA-N	304.394	1.363	50	20	DDGD	
COc1cc(C)ccc1NC(=O)C(=O)NNc1ccnc(F)c1	190296144	FVBKCNIECKYHKU-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)C2CCN(C3CC3)CC2)c1	194828200	JNZILTOSNCPAJI-UHFFFAOYSA-N	319.796	1.924	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)CCCOC)cc1OC	44978892	URPZGLHCMSOIBI-UHFFFAOYSA-N	310.350	1.282	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)c2ccc(F)c(Cl)c2)nn1	132413097	FXNJXGYKYPCHEA-UHFFFAOYSA-N	309.688	1.125	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC2CCN(C(C)(C)C)CC2)n1	193854921	JHRMDJOZTQRBGR-UHFFFAOYSA-N	320.441	1.982	50	20	DDGD	
COc1ccc(Cl)cc1NCC(=O)NNC(=O)N(C)C	263879083	PFZJQSKEDZAAJD-UHFFFAOYSA-N	300.746	1.063	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)NOCC(C)C)c1C	269690811	GQXAQIMJRKHTDI-CYBMUJFWSA-N	323.393	1.989	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCCC(C)(C)CO	267961650	XIAZVRUPGCMVMA-UHFFFAOYSA-N	307.394	1.738	50	20	DDGD	
CC(=O)NCCNC(=O)NNc1cc(Cl)ccc1Cl	267885910	SZVNYTRYQUBGRJ-UHFFFAOYSA-N	305.165	1.756	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCc2cccn2C)c1	266630667	SJJMTLSGVAZANL-UHFFFAOYSA-N	316.361	1.243	50	20	DDGD	
Cc1cccc2c(CCC(=O)NNC(=O)NC3CC3)c[nH]c12	265964559	RXQIZAGNJMHQQF-UHFFFAOYSA-N	300.362	1.902	50	20	DDGD	
Cc1nnc(-c2ccc(C(=O)NNC(=O)C3CCC3)cc2)o1	266832246	LCVFYFTYHPVRHD-UHFFFAOYSA-N	300.318	1.606	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2c[nH]c(C)n2)c(C)c1	264686883	LTDWRLFTWQHSAR-UHFFFAOYSA-N	301.350	1.208	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NNc1cccc([N+](=O)[O-])c1C	269591694	GOPXVJYFDDLEDP-UHFFFAOYSA-N	315.351	1.171	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNc2cc(Cl)nc(C)n2)C1	269740016	YMMKNGAHJALSES-VIFPVBQESA-N	311.773	1.140	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](C(C)C)N2CCCC2=O)cc1	264163575	TYLXVSZHTHLEMG-HNNXBMFYSA-N	305.378	1.785	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)Nc1ccsc1Cl	275894413	SOPVHJCPAIGAOB-UHFFFAOYSA-N	301.755	1.288	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCO[C@H](C)C2)cc1	272138292	WSFNCQANWFPLLY-CHWSQXEVSA-N	306.362	1.336	50	20	DDGD	
C[C@@H](C(=O)NNc1nccnc1Cl)n1nnnc1C(C)(C)C	273502448	YXPACLPYQNCQPH-ZETCQYMHSA-N	324.776	1.118	50	20	DDGD	
O=C1CCCc2cc(NC(=O)NNC(=O)C3CCC3)ccc2N1	272885637	XOOLAAVUBXMCJW-UHFFFAOYSA-N	316.361	1.914	50	20	DDGD	
Nc1nnc(CNC(=O)CCCC[C@@H]2CCSS2)o1	276708216	ZEPLJYWFBXGWIW-MRVPVSSYSA-N	302.425	1.982	50	20	DDGD	
NC(=O)CCCC(=O)NNc1cc(C(F)(F)F)ccc1F	279865656	MVEYNYXFLDJAEU-UHFFFAOYSA-N	307.247	1.943	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2CCO[C@H](C3CC3)C2)n1	274176252	DDVDNJDLRYCNGE-QWRGUYRKSA-N	307.354	1.069	50	20	DDGD	
O=C1CCC[C@@H](C(=O)NNc2ccc(C(F)(F)F)cc2)N1	270497279	JVFDTBPWADXPRD-JTQLQIEISA-N	301.268	1.817	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCCOC(C)C)c1	272649597	JVAIEICHPRAJAP-UHFFFAOYSA-N	309.366	1.914	50	20	DDGD	
Cc1ccc2c(c1)CC[C@@H](C(=O)NNC(=O)c1ccncc1)O2	377130512	SKPZOQIAOJRYOG-HNNXBMFYSA-N	311.341	1.545	50	20	DDGD	
CSSCCNC(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1	375134725	NFKCQGUCUYBZTF-BDAKNGLRSA-N	305.425	1.138	50	20	DDGD	
CC(C)(C)C(=O)Cn1cc(C(=O)NCC(Cl)Cl)nn1	288835648	IQEYHIWNGRPVKP-UHFFFAOYSA-N	307.181	1.427	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CCc3cnn(C)c3C2)nc(C)n1	281987306	MLICRBVADUOFAW-NSHDSACASA-N	300.366	1.075	50	20	DDGD	
C[C@H](Cn1ccc2ccccc21)C(=O)NNC(=O)NC1CC1	284996925	FUZKIVXSWQZAGX-LLVKDONJSA-N	300.362	1.770	50	20	DDGD	
O=C(CCS(=O)(=O)C1CCCC1)NNc1ncccc1F	286005211	OOYNCIMMFDWTIF-UHFFFAOYSA-N	315.370	1.411	50	20	DDGD	
Cc1cc(F)cc2c(=O)c(C(=O)NNC(=O)NC3CC3)c[nH]c12	804299364	GMBKGBSZDMMSLR-UHFFFAOYSA-N	318.308	1.082	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)[C@@H]2[C@H]3CCC[C@H]32)cc1	291324119	UXWQLPJJKKUMRO-WDNDVIMCSA-N	323.418	1.426	50	20	DDGD	
CCOc1ccc(C(=O)NN=Cc2ccc(N)nc2)cc1OC	807955854	DQMLUUORCXZYMS-UHFFFAOYSA-N	314.345	1.835	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)CSC(F)F	299236104	HIHWBIPWHMOCDV-UHFFFAOYSA-N	308.281	1.308	50	20	DDGD	
CCOCCONC(=O)NNc1ccc2c(=O)[nH]ccc2c1	807136161	VZOSERWLIYPDLS-UHFFFAOYSA-N	306.322	1.122	50	20	DDGD	
CCN(C)C(=O)c1cccc(C(=O)NNC(=O)CC2CC2)c1	294113194	JWYVWMYODRZGDD-UHFFFAOYSA-N	303.362	1.340	50	20	DDGD	
CCCc1nc(C)c(CNS(=O)(=O)CBr)o1	291845767	HKGBGARMGRZHBE-UHFFFAOYSA-N	311.201	1.707	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)cn1	802124785	UQCPTHIQBVIEPO-UHFFFAOYSA-N	316.365	1.436	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)[C@H]2CCCCO2)ccc1C	295311476	FTYOKFZHTIKVJG-CQSZACIVSA-N	304.346	1.528	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)Nc1ccc(OC)cc1	802056181	ZQDSMLWMRXUHFE-UHFFFAOYSA-N	303.322	1.378	50	20	DDGD	
O=C(Cn1c(=O)cnc2ccccc21)NNc1cccc(F)n1	804766371	GGTYYEUHKLKGFK-UHFFFAOYSA-N	313.292	1.074	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNC(=O)Cc1c[nH]c2ccccc12	809982319	BJXHRTBVKIUNPL-INIZCTEOSA-N	301.346	1.185	50	20	DDGD	
CC[S@](=O)CC(=O)NNc1ccc([N+](=O)[O-])cc1Cl	295487976	QAFIMCCZKWXFQP-IBGZPJMESA-N	305.743	1.460	50	20	DDGD	
CCc1c(C(=O)NNC(=O)COc2ccc(F)cc2)ccn1C	291451250	MCAKGFKMBADGBR-UHFFFAOYSA-N	319.336	1.567	50	20	DDGD	
Cc1nc2ccc(NC(=O)NNC(=O)c3ccccc3)cn2n1	809896082	DBBGMHLQVGTWTK-UHFFFAOYSA-N	310.317	1.504	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc(-c2cc[nH]n2)s1	295675775	XMOUTNHCVDVUIE-JTQLQIEISA-N	320.374	1.468	50	20	DDGD	
O=C(Cc1ccccc1[N+](=O)[O-])NNC(=O)Nc1ccccc1	801985748	GIYRTHSQNZXSSX-UHFFFAOYSA-N	314.301	1.990	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNc2nccnc2OC)c1C	293757029	PUGLUCBMNJWOCV-UHFFFAOYSA-N	304.354	1.004	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccccc1OC1CC1	295274646	CBPUZBMWKLZYEZ-AWEZNQCLSA-N	304.346	1.558	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)CSC1CC1	294691185	FZUFRJMNEUZKQK-UHFFFAOYSA-N	308.403	1.671	50	20	DDGD	
COCCc1ccnc(NC(=O)NNc2ncc(F)cn2)c1	806658706	XTLRYWLSPIBCRY-UHFFFAOYSA-N	306.301	1.348	50	20	DDGD	
C[C@H]1C[C@H](N2CCCC2)CN1C(=O)NNC(=O)C1CCCC1	805351633	KNBNMCZUBZLRPO-JSGCOSHPSA-N	308.426	1.476	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)NOCC1CC1	297235498	GYRCCFCGEVYOED-UHFFFAOYSA-N	313.741	1.634	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(C(F)F)cc1)[C@@H]1CCCO1	292202274	ZZRJWHCMNFJGAR-JTQLQIEISA-N	320.317	1.113	50	20	DDGD	
O=C(NNc1ncncc1F)c1cc(F)cc2nc(S)[nH]c12	817078491	HEPRTXBWGUYOOI-UHFFFAOYSA-N	322.300	1.677	50	20	DDGD	
CCN1CCC(=NNC(=O)COc2ccccc2O)[C@H](C)C1	814951956	DYXACACTROCPGK-GFCCVEGCSA-N	305.378	1.605	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2c[nH]c(C(=O)O)c2)cc1	814719800	ANBCYVQTABPCOF-UHFFFAOYSA-N	317.301	1.251	50	20	DDGD	
O=C(NNc1ncncc1F)Nc1nnc(C(F)(F)F)s1	814511764	AZVKWDXZNZKDML-UHFFFAOYSA-N	323.235	1.635	50	20	DDGD	
CC(C)=CCOc1cccc(C(=O)NNc2cnnn2C)c1	816771566	RLXLKJGASFKMDC-UHFFFAOYSA-N	301.350	1.917	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](O)C(C)C)c2ccccc2n1	813557172	QPCBVFVVOYCKAI-AWEZNQCLSA-N	301.346	1.321	50	20	DDGD	
N#Cc1ccsc1NC(=O)C(=O)NNc1ncccc1F	815645838	RCOXNPRMYGNMQC-UHFFFAOYSA-N	305.294	1.236	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cc(C)c3nccn3c2)nc1	815590958	QMQMAFNWLJDOIQ-UHFFFAOYSA-N	324.344	1.428	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)Cc1c[nH]c2ccccc12)OC	812591758	SIUCATZPFPHCHH-GFCCVEGCSA-N	318.377	1.466	50	20	DDGD	
Cc1cc(C)n(Cc2cccc(C(=O)NNc3nc[nH]n3)c2)n1	816632006	PIODJWQPYOECCV-UHFFFAOYSA-N	311.349	1.423	50	20	DDGD	
CCOc1ccc(NNC(=O)NCC2(CC(N)=O)CC2)cc1	817786963	GRBBVVAHSZEIHP-UHFFFAOYSA-N	306.366	1.367	50	20	DDGD	
C[C@H](CNC(=O)NNc1ncncc1F)Oc1ccc(F)cc1	814306980	PBQRXTXRUYNWBR-SECBINFHSA-N	323.303	1.848	50	20	DDGD	
COc1cc2c(cc1OC)C(=NNC(=O)Cc1cc[nH]n1)CC2	814957324	NBQBSAVGWAUZEF-UHFFFAOYSA-N	314.345	1.436	50	20	DDGD	
CSSCCNC(=O)c1ccc(S(C)(=O)=O)s1	817449166	FMLWFBUIKRCBEN-UHFFFAOYSA-N	311.475	1.893	50	20	DDGD	
CC(C)CC(=O)N[C@H](C(=O)NNC(=O)C(C)C)c1ccccc1	727365415	RXTADVYDLVKJRV-HNNXBMFYSA-N	319.405	1.693	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H](C)n2cnc(C#N)n2)cc1	817911105	JJPWGYBXINBHLO-SNVBAGLBSA-N	300.322	1.253	50	20	DDGD	
COC(=O)CCn1nc(C)c(C=NNC(=O)c2ccc[nH]2)c1C	727061795	OETNUQJTBNQDTH-UHFFFAOYSA-N	317.349	1.155	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)Cc2cccnc2)CC2(CCC2)O1	825906342	BPMNWRFTJBNQSX-LBPRGKRZSA-N	318.377	1.008	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(C(=O)OC)ccc1Cl	823885025	SJFWBGGZYRMVOK-UHFFFAOYSA-N	300.742	1.086	50	20	DDGD	
O=C(c1cccc(F)c1)N1CCN(S(=O)(=O)CCl)CC1	829910754	LUTSEXHCDIPVOQ-UHFFFAOYSA-N	320.773	1.110	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1	827269621	ZGPPKKZGUHLWQA-LHEWDLALSA-N	307.394	1.130	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CC[C@@](O)(c2ccc(F)cc2)C1	490812666	LYBBBLFMHRCTEY-DMIOIOJGSA-N	304.321	1.690	50	20	DDGD	
CC1(OCC(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCC1	824844082	OYPMGNZRZAMSTO-UHFFFAOYSA-N	302.338	1.269	50	20	DDGD	
CCCNC(=O)NN=Cc1c(C)nn(CCC(=O)OC)c1C	727061487	JZACCGXAVNUSGJ-UHFFFAOYSA-N	309.370	1.106	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN(c2ccccc2)C1)C1CCCC1	822474039	FCNHCFHTMQVLGP-CQSZACIVSA-N	301.390	1.851	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C\c2ccc(O)c(C(=O)O)c2)n1	491009765	KTOYKKFPVOMODW-POHAHGRESA-N	312.285	1.370	50	20	DDGD	
Cc1nc(-c2c(C)noc2C)sc1C(=O)NN(C)[C@H](C)CO	823917768	NISZYPDKJMJWKD-SSDOTTSWSA-N	324.406	1.681	50	20	DDGD	
COC(OC)C(=O)NNc1ccc(Br)cc1F	821152799	HZAXXUPLCVHXEQ-UHFFFAOYSA-N	307.119	1.650	50	20	DDGD	
Cc1ccc([C@@H]2CCCN(C(=O)c3ccc(B(O)O)cc3)C2)cc1	584942303	RYUNUTXDVZECTG-QGZVFWFLSA-N	323.201	1.695	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C1CC1)[C@@H]1CCc2ccccc21	828151208	PCXPQBBJODIFNJ-MRXNPFEDSA-N	315.417	1.942	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cccc(NC(=O)OC(C)(C)C)n1	496730417	LNJPKOMRXUIWCT-UHFFFAOYSA-N	322.365	1.846	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@H]1CCCC[C@H]1c1cccnc1	584910776	DIPRBRWOMZRAAK-IRXDYDNUSA-N	324.189	1.674	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	823940463	YEJZKUHYPDNNSK-FYLLDIAZSA-N	305.216	1.284	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCC1CCC(F)(F)CC1	826720083	CFKNRCQCNJILBN-KOLCDFICSA-N	319.352	1.567	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NN=Cc2cc[nH]n2)C1	496960657	HESZBWVEJOGAOT-NSHDSACASA-N	321.381	1.507	50	20	DDGD	
Cc1ccc2c(c1)[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)CC2	825947114	DXOGARDBDLIGON-UXIGCNINSA-N	317.389	1.738	50	20	DDGD	
CCn1ncc(C)c1NC(=O)NNC(=O)Cc1cccnc1	825155436	DREMCKJFZXIEFF-UHFFFAOYSA-N	302.338	1.002	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=O)CSc2ccc(C)cc2)CC1	822210123	OCVHZLOPVHIULU-UHFFFAOYSA-N	320.414	1.994	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)ncn1	734255443	GNZMWFKOGBRJAT-LLVKDONJSA-N	305.382	1.265	50	20	DDGD	
O=C(N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)c1cc(B(O)O)ccc1F	584935340	HIAMUZIKLZTVNU-WCXATKCASA-N	317.169	1.060	50	20	DDGD	
N#C/C(=C/c1cn(CC(=O)O)nn1)c1cnc2ccccc2n1	588580329	FKPMOHPXJWAMKP-YHYXMXQVSA-N	306.285	1.370	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(F)c(C(=O)OC)c1F	497202542	NTHRBCPBXCGCPU-UHFFFAOYSA-N	317.248	1.534	50	20	DDGD	
C[C@H](CNCc1ccc(B(O)O)cc1F)Cc1cccs1	585027631	WHCVUMGNXDHLLQ-NSHDSACASA-N	307.199	1.535	50	20	DDGD	
CCOCC(=O)NN=Cc1cc(Cl)cc([N+](=O)[O-])c1O	731153844	HPBUUQABZCRJRD-UHFFFAOYSA-N	301.686	1.440	50	20	DDGD	
COc1cccc(F)c1[C@@H](C)NCc1ccc(B(O)O)cc1F	585023481	LOTHIGNSHQWDKC-SNVBAGLBSA-N	321.132	1.504	50	20	DDGD	
COC(=O)c1cc(OC(=O)[C@@H](C)n2cncn2)ccc1[N+](=O)[O-]	732651542	NYWNAJQBYUMYNV-MRVPVSSYSA-N	320.261	1.140	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc2c(c1)OCCO2	831041542	DWEOPUFJLWEHQR-ONGXEEELSA-N	321.333	1.036	50	20	DDGD	
Nc1c(Cl)cc(C(=O)N2CC[C@H](B(O)O)C2)cc1Cl	585078347	CIDYWIYXRYAZJZ-ZETCQYMHSA-N	302.954	1.265	50	20	DDGD	
C[C@@]1(C(=O)NCc2cccc(C(N)=O)c2)C[C@@H]1Br	906020780	FHOMJYRUZOMQPG-GXFFZTMASA-N	311.179	1.575	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1cc(Cl)c2c(c1)OCCO2	735406396	BBRQUIXVYCQGHS-UHFFFAOYSA-N	320.736	1.907	50	20	DDGD	
C[C@H](N)C[C@H](C)NC(=O)NNC(=O)Cn1ccc2ccccc21	831212903	XZUIDPQECUMYMU-RYUDHWBXSA-N	317.393	1.098	50	20	DDGD	
CC(=O)N[C@@H](CC(=O)NNc1cccnn1)c1cccs1	736697384	HTAQIGRDZMIFMA-JTQLQIEISA-N	305.363	1.249	50	20	DDGD	
CCC(C)(C)OCC(=O)NNc1nc(O)c2ccccc2n1	839702909	XKFZYTGKMXWGIF-UHFFFAOYSA-N	304.350	1.984	50	20	DDGD	
CS(=O)(=O)C[C@@H](C(=O)N1CC=C(C#N)CC1)c1ccccc1	831488402	QMFFNFPYHUJOEP-OAHLLOKOSA-N	318.398	1.497	50	20	DDGD	
O=C(NC[C@@H]1[C@H]2CCc3ccccc3[C@@H]21)c1cccc(B(O)O)c1	584963644	BJQJCKARNLGMTR-KURKYZTESA-N	321.185	1.072	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1C[C@H]2CCCCCC[C@@H]21	584959684	KGTDYTZGLNAEAM-ABAIWWIYSA-N	305.158	1.300	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1nc(C)n2ccccc12	914599453	HFPJSERJRZSOCM-UHFFFAOYSA-N	314.374	1.754	50	20	DDGD	
Cc1cnc(C=NNC(=O)[C@@H](C)CN2C[C@H](C)O[C@H](C)C2)o1	834934575	OIRFJUJFZSUTKQ-WCFLWFBJSA-N	308.382	1.178	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H]1CCCN(CCc2ccccc2)C1	910149579	GJWPTMPXBXDKIU-DOTOQJQBSA-N	319.449	1.285	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl	910167847	NYXFQVPDLFPNFD-DTWKUNHWSA-N	304.749	1.590	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1	747346141	VYKLEEHZOLOPRJ-HNNXBMFYSA-N	321.396	1.984	50	20	DDGD	
Cc1[nH]ccc1C(=O)NNC(=O)c1nnc(O)c2ccccc12	749867061	YDLQCMIGJRNVLD-UHFFFAOYSA-N	311.301	1.047	50	20	DDGD	
COc1ccc(CCNC(=O)NNC(=O)C(C)(C)C)c(OC)c1	746233886	TWQIYSOWPFRMSY-UHFFFAOYSA-N	323.393	1.623	50	20	DDGD	
COc1cccc(CC(=O)NNc2ccnc(N(C)C)n2)c1	740104999	UDBPIMHOTFYJEO-UHFFFAOYSA-N	301.350	1.237	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1F)c1cc2n(n1)CCC2	841606619	JKSXBNUUVCGPGF-UHFFFAOYSA-N	316.336	1.888	50	20	DDGD	
C[C@H]1CCCN(C[C@@H](C)NC(=O)NNC(=O)C2CCCC2)C1	919915406	UFUPTAKKPJNLCN-QWHCGFSZSA-N	310.442	1.627	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC(CN(CCO)C(C)C)CC1	910863828	QJEVDLNWWGFKGZ-SSZFMOIBSA-N	323.437	1.372	50	20	DDGD	
Cc1ccc(Cl)c(OCC(=O)NNC(=O)c2cccn2C)c1	747599187	PULUTOOUMRQRGP-UHFFFAOYSA-N	321.764	1.827	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccnc(F)c1	745413188	BXAUPFNROOXGRC-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
N#CSCCCNS(=O)(=O)c1cccc2c1OCCC2	916999565	KVYCUUKLKIERTJ-UHFFFAOYSA-N	312.416	1.894	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)CCN1	846669149	UMFFIGHUTJOYKB-LSCVPOLPSA-N	301.228	1.760	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccncc2Cl)c1O	745989947	HSGWKEXQCHUUER-UHFFFAOYSA-N	321.720	1.524	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cccc2c1OCCCO2	846632316	MANDIRAGYGITPW-UHFFFAOYSA-N	318.251	1.561	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)NCC(C)(C)N)cc2C1	841950228	KTABGRHREUPCMR-SECBINFHSA-N	324.450	1.554	50	20	DDGD	
COc1cc(C(C)=NNC(=O)c2cc(C)[nH]n2)cc(OC)c1O	842529078	NZYAJSPEZALZQW-UHFFFAOYSA-N	318.333	1.595	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	843978627	XCCDJPILFOKSPQ-SMDDNHRTSA-N	306.362	1.200	50	20	DDGD	
O=C1C[C@@H](CNC(=O)NNc2ccccc2C(F)(F)F)CN1	840399563	QBYBGHNJSRJLEH-MRVPVSSYSA-N	316.283	1.468	50	20	DDGD	
CN1CCNC[C@H]1C(=O)NN=C(c1ccccc1)c1ccccc1	911929406	KBICLHLZTGMHTE-KRWDZBQOSA-N	322.412	1.459	50	20	DDGD	
CCCC[C@@H](NNC(=O)CC1CC1)C(=O)Nc1cc(C)on1	842149890	PXIGNHXYWMNGOO-GFCCVEGCSA-N	308.382	1.901	50	20	DDGD	
C[C@@H](CN)NC(=O)NNC(=O)c1c(Cl)cccc1Cl	841983046	XDBWKEVTPLINFQ-LURJTMIESA-N	305.165	1.285	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)CCCN)cc1Cl	841109273	KWYQBERCTAPARI-UHFFFAOYSA-N	313.789	1.298	50	20	DDGD	
O=C(Cc1ccc(F)cc1[N+](=O)[O-])NNC(=O)NC1CCCC1	845320474	HFRDWAMWOULKFF-UHFFFAOYSA-N	324.312	1.549	50	20	DDGD	
CC[C@@H]1CN(CC(=O)NNC(=O)c2cccc(C)c2)[C@H](C)CO1	844390571	IGQQBZXMUJDEJB-UKRRQHHQSA-N	319.405	1.255	50	20	DDGD	
CC(C)Cn1nccc1C=NNC(=O)c1ccnc(N(C)C)c1	842528191	QEURXMASFISQRW-UHFFFAOYSA-N	314.393	1.764	50	20	DDGD	
O=C(NNc1c(Cl)cccc1Cl)[C@@H]1CCS(=O)(=O)N1	845822459	XMTLHJCUYJHEFY-QMMMGPOBSA-N	324.189	1.128	50	20	DDGD	
CN(C)[C@H]1CCC[C@@H](NC(=O)NNC(=O)CC(F)(F)F)C1	749589116	GLLPNNQGVNMUIA-BDAKNGLRSA-N	310.320	1.142	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)NCc1ccon1	747514559	SVYNONBDDXBWCM-UHFFFAOYSA-N	323.740	1.542	50	20	DDGD	
Cc1cc(C)n(CCCNC(=O)NNC(=O)CC(F)(F)F)n1	918058720	KJKIUVNGWPZSBC-UHFFFAOYSA-N	321.303	1.173	50	20	DDGD	
COc1ccc(C(=O)NNc2ccnc(N(C)C)n2)c(Cl)c1	740112145	DIMFDLRVDUCQBC-UHFFFAOYSA-N	321.768	1.962	50	20	DDGD	
O=C(NC[C@@H]1CNCCO1)NNc1cccc(Cl)c1Cl	842010187	FVLUEWVWUFTKJE-QMMMGPOBSA-N	319.192	1.608	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)n1cncn1	746889070	JBRYKEUJCFRKCA-MRVPVSSYSA-N	324.266	1.873	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cc(C)nn2C)cc1OC	841605001	OESZPEJURAQXJW-UHFFFAOYSA-N	302.334	1.510	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C[C@@H]1OCCc2ccccc21	843650650	FZGLMGOVXYCYBL-LNSITVRQSA-N	318.373	1.263	50	20	DDGD	
CCc1ncc(C=NNC(=O)NCCc2cccs2)cn1	841622355	YBQMTQYJORXJCP-UHFFFAOYSA-N	303.391	1.976	50	20	DDGD	
CC(C)C[C@@H](CN)NC(=O)NNC(=O)c1ccc(Cl)cc1	841953463	IPBXLZFWSLLFEU-LBPRGKRZSA-N	312.801	1.657	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cnn(-c2cccnc2)c1	759677036	BAIHDLUWISZHQL-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
COc1ccc(NCC(=O)NN=C2CN(C3CC3)C[C@@H]2C)cc1	755881314	XGXVDMHBXVJFFP-LBPRGKRZSA-N	316.405	1.693	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(Cn2ccnn2)cc1	858778508	MBIBRBPNWDKTDL-UHFFFAOYSA-N	316.365	1.071	50	20	DDGD	
CC(C)COc1ccc(C(=O)NNC(=O)[C@@H]2CCOC2)cc1	921202973	NGZOUUZPIKNMIZ-CYBMUJFWSA-N	306.362	1.519	50	20	DDGD	
CC[C@H]1CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C1	755993480	CBZXVDWLXPJLQZ-LBPRGKRZSA-N	300.362	1.051	50	20	DDGD	
Cn1ncc(Cl)c1C(=O)NNc1nccnc1C1CCC1	854459040	CNVHMDKMEHZTSK-UHFFFAOYSA-N	306.757	1.888	50	20	DDGD	
COC(=O)N(C)CC(=O)NNC(=S)Nc1cccc(C)c1C	920436907	IROFQWFLLMTHFQ-UHFFFAOYSA-N	324.406	1.319	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc(CF)cc1	854286173	VMXPAJQTGCRLQD-UHFFFAOYSA-N	313.398	1.644	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1ccc(O)cc1	750938797	OSAYLEMHGOCSTP-UHFFFAOYSA-N	301.302	1.255	50	20	DDGD	
CC(=O)c1cccc(CNC(=O)NNC(=O)C2CCOCC2)c1	923090735	KBFGARTWCJOTBX-UHFFFAOYSA-N	319.361	1.146	50	20	DDGD	
CCNC(=O)NN=C(C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	853295887	UHQQBHKURANFQX-LLVKDONJSA-N	314.386	1.317	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNc1nc(-c2cccnc2)no1	859314963	CNIJCDOAHUHPEH-LLVKDONJSA-N	305.338	1.780	50	20	DDGD	
Cc1ccc(/C=C/C(=O)NNC(=O)OCC(F)(F)F)cn1	856022370	AJZPEKXTZJMFIV-SNAWJCMRSA-N	303.240	1.723	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(CN2CCCC2=O)cc1	755939960	ONAXRJOKJNJLMW-UHFFFAOYSA-N	304.350	1.372	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N(C)CC2=CCCOC2)c1	858707440	UULUUVXISMVEAW-UHFFFAOYSA-N	309.391	1.689	50	20	DDGD	
CCO[C@H]1COCC[C@@H]1NC(=O)NNc1ccc(C)c(F)c1	853989500	ZZJUJNPFLIZVFT-KBPBESRZSA-N	311.357	1.954	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1ccc2c(c1)OCCO2)C1CC1	852598629	XUXLKJCMEMJHAU-LBPRGKRZSA-N	319.361	1.590	50	20	DDGD	
CCc1cnc(NC(=O)C(=O)NNc2ccnc(F)c2)s1	756196573	FIFFSEOSRUDJSL-UHFFFAOYSA-N	309.326	1.321	50	20	DDGD	
C[C@@H]1Cc2cc(C(=O)NNC(=O)OCC(F)(F)F)ccc2O1	856026877	PUEWDAFCZPLTAF-SSDOTTSWSA-N	318.251	1.943	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@H](CC)Oc1ccccc1C	753033280	BOIHEXPCIOQANS-ZDUSSCGKSA-N	323.393	1.519	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1ccc(OC)c(OC)c1)C1CC1	851935550	PIRILFRNQBJMHI-LBPRGKRZSA-N	321.377	1.836	50	20	DDGD	
C=CCOc1cccnc1C(=O)NNC(=O)OCC(F)(F)F	856022936	RAONBWNIFVRXSX-UHFFFAOYSA-N	319.239	1.580	50	20	DDGD	
C[C@@]1(CNC(=O)NC[C@@]2(C)CCC(=O)N2)C[C@@H]1Br	856862475	AKMGTSRCYYBCEE-KPXOXKRLSA-N	318.215	1.128	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)COc2cccc(C)c2)n1	752400247	YSNXXIDNYWIOED-UHFFFAOYSA-N	315.329	1.239	50	20	DDGD	
CNC(=O)NNC(=O)CCCc1ccc2c(c1)OCCCO2	858747407	FSSZDVMSUYDIRI-UHFFFAOYSA-N	307.350	1.131	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Nc1cccn(C)c1=O	756683299	LQGXLOJPHGHZEW-UHFFFAOYSA-N	300.318	1.160	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1c(C)n(C)c2ccccc12	853315376	UDYKRGVYSROKEP-ZDUSSCGKSA-N	317.389	1.988	50	20	DDGD	
COCCOCC(=O)NNC(=O)C1(Cc2ccccc2)CCC1	869908482	OILWCAIPLDGCRW-UHFFFAOYSA-N	320.389	1.210	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)c2cccc(Cl)n2)[C@H]1C	863931806	WBXKPRVCHNIKAQ-APOZVJGGSA-N	311.769	1.556	50	20	DDGD	
CCC(CC)[C@H](C)C(=O)NNc1nc(O)c2cnn(C)c2n1	761745215	YETKDFZXARQCIG-QMMMGPOBSA-N	306.370	1.584	50	20	DDGD	
O=S(=O)(NCC(Cl)Cl)c1ccc2c(c1)OCCO2	867471801	UCTNMPVPCMPHSR-UHFFFAOYSA-N	312.174	1.540	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1ccccc1C(F)(F)F	763816050	BWHBRMAEMZERPH-UHFFFAOYSA-N	317.267	1.447	50	20	DDGD	
COC(=O)Cc1sccc1C(=O)NNC(=O)OC(C)(C)C	864429420	WCLFFOTXKNQDCU-UHFFFAOYSA-N	314.363	1.633	50	20	DDGD	
COC[C@](C)(NC(=O)NNc1ncccc1C)C(F)(F)F	932325790	GSDHVIKZKONKKJ-NSHDSACASA-N	306.288	1.984	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNC(=O)C2CCCC2)cc1C	764068689	PHBROXIHKJNNJB-UHFFFAOYSA-N	317.389	1.834	50	20	DDGD	
C[C@@H]1CC(C)(C)CC1=NNC(=O)N[C@H]1CCS(=O)(=O)C1	766015117	YUZSZMLKJIJXFV-ZJUUUORDSA-N	301.412	1.285	50	20	DDGD	
CCN1CCCN(S(=O)(=O)CC(C)(C)CCl)CC1=O	867166891	PMYVFLINQDJUFO-UHFFFAOYSA-N	310.847	1.135	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=CCC[C@@H]1C[C@H]2CC[C@H]1C2	768776752	RZCJXQQTDCRBJY-UTUOFQBUSA-N	318.377	1.749	50	20	DDGD	
COCCCOc1ccc(C(=O)NN=c2cc[nH]c(C)c2)cc1	862513747	UZSOOLHYOSPULF-UHFFFAOYSA-N	315.373	1.984	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)c3cc(Cl)cs3)nc21	760327851	AZYDJESZQBFPQJ-UHFFFAOYSA-N	324.753	1.541	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@@H](F)c2ccccc2)n1	768966352	NXJLTPZXNXSNSU-AWEZNQCLSA-N	304.325	1.358	50	20	DDGD	
Cc1cnccc1C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	769936618	HBURWDYVEHCHMK-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1118814026	SUIGXZLJOMIUNU-JOYOIKCWSA-N	305.216	1.581	50	20	DDGD	
COc1ncc(C=NNC(=O)c2n[nH]c3c2CCCC3)s1	1117652433	DGZMUXJOGKQIFM-UHFFFAOYSA-N	305.363	1.518	50	20	DDGD	
C=CCNC(=S)NNC(=O)COC/C=C\c1ccccc1	763739376	MCQSZFSRNHXWCM-TWGQIWQCSA-N	305.403	1.398	50	20	DDGD	
CCc1nn(C)c(CC)c1CC(=O)NNc1ccc(F)cn1	874649357	MJLFFBGMXRPEHB-UHFFFAOYSA-N	305.357	1.765	50	20	DDGD	
CCN([C@H](C)C(=O)NNC(=O)CC(C)C)[C@H](C)C(F)(F)F	879357382	JIZCPKHWJKQYNJ-NXEZZACHSA-N	311.348	1.841	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)nn1	1116096410	NVKHMPYIDLYVNR-SNVBAGLBSA-N	317.393	1.228	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@H]2CCN(CC(F)(F)F)C2)n1	875182512	QCHUFQCYXKBPDN-JTQLQIEISA-N	317.315	1.653	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NN=Cc1ccc(O)c(O)c1	779806446	UWULEWHTMXZLMT-UHFFFAOYSA-N	323.349	1.463	50	20	DDGD	
Cn1ccc(NNC(=O)[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)n1	1118827324	LBJFMODDDPXZKW-MGCOHNPYSA-N	309.370	1.167	50	20	DDGD	
COCCOCC(=O)NN=C1CCCCc2cc(C#N)ccc21	872399713	AWCPKIWAXRJDJZ-UHFFFAOYSA-N	315.373	1.768	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=S)Nc2ccc(OC)nc2)CC1	874955488	RGHOBHROWZHHIX-UHFFFAOYSA-N	322.390	1.167	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)C1(F)CCCC1	771941493	SNTMWYONMXFIDE-UHFFFAOYSA-N	304.325	1.686	50	20	DDGD	
Cc1cnc(C(=O)NNc2ccnc(Br)c2)cn1	771551343	IUPQABHRUIYZQY-UHFFFAOYSA-N	308.139	1.699	50	20	DDGD	
CSc1cccc(C(=O)NNC(=O)NC2CC2)c1[N+](=O)[O-]	777240999	SAGFIQMCAJUFCP-UHFFFAOYSA-N	310.335	1.423	50	20	DDGD	
COCC1(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)CC1	778532032	JVCFSWNSDFWMHC-SNVBAGLBSA-N	310.325	1.167	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)Cc2cccnc2)c1	776526349	FCGAOURZIXRXSQ-UHFFFAOYSA-N	305.359	1.171	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)CCC(C)(F)F)nc1C	778428441	MUOXDLBFYMMMEB-UHFFFAOYSA-N	316.308	1.840	50	20	DDGD	
CS(=O)(=O)c1cccc(Cl)c1C=NNC(=O)C1CCC1	773207703	LRSBTJKDZRJKOH-UHFFFAOYSA-N	314.794	1.994	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)c2ccc(Cl)cc2O)co1	776119401	GAMTUOJFKDQLQD-UHFFFAOYSA-N	309.709	1.671	50	20	DDGD	
Cc1ccn(CC(=O)NNc2oc(C(C)C)nc2C#N)c(=O)c1	772155707	NNKLAJSJWNHLLQ-UHFFFAOYSA-N	315.333	1.283	50	20	DDGD	
CN(NC(=O)c1ccccc1COC1CCOCC1)C(N)=O	778412322	UDVMBWZBWVZNPA-UHFFFAOYSA-N	307.350	1.038	50	20	DDGD	
C[C@@H]1C[C@@H]1c1ccc(CNC(=O)NNC(=O)C2CCOCC2)o1	883155652	OFHMGMIQQBPAEX-MFKMUULPSA-N	321.377	1.660	50	20	DDGD	
CCO[C@H](C)C(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	772965742	FNWYLPAOMUDGEM-ZJUUUORDSA-N	314.769	1.680	50	20	DDGD	
COC(OC)c1ccc(C(=O)NNC(=O)c2ccccc2O)o1	771607682	DZDKURQFOORMEK-UHFFFAOYSA-N	320.301	1.351	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCCCS1	772295397	FOZURUNTHGTJFX-QWRGUYRKSA-N	316.423	1.397	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@H](CO)Cc1ccc(F)cc1	881914128	DYSSQYVRWAWOMG-GFCCVEGCSA-N	323.817	1.525	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(NC(C)=O)c(F)c1	887148274	VIDKLRUPJGVWJD-UHFFFAOYSA-N	305.309	1.349	50	20	DDGD	
CC[C@@H]1CCCCN1CCNS(=O)(=O)CBr	782445322	UQXCVWGBYIYDFY-SNVBAGLBSA-N	313.261	1.523	50	20	DDGD	
COc1ccc(C#N)cc1NC(=O)C(=O)NNc1ccc(C)cc1	783346302	JJPDCFDDFZDGHN-UHFFFAOYSA-N	324.340	1.957	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc2c(c1)NC(=O)CO2	788703936	LEWPWEUSMDIFOD-UHFFFAOYSA-N	318.377	1.200	50	20	DDGD	
COc1ccc(NNC(=O)Nc2cc(C(N)=O)ccc2C)nc1	782032646	FLAROTMNNXTOOH-UHFFFAOYSA-N	315.333	1.646	50	20	DDGD	
CCC1(C(=O)NNc2nnc(-c3ccccn3)s2)COC1	788562433	HZIFDTSSHPDLOY-UHFFFAOYSA-N	305.363	1.470	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H]2CO[C@H](C)C2)c1	784146997	WPAYWFSEMZUNPA-OLZOCXBDSA-N	306.362	1.255	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)C1CCOCC1)c1ccccc1	883099840	HNCCYJUZONZRHH-AWEZNQCLSA-N	321.377	1.131	50	20	DDGD	
OC[C@@H]1CCCN1Cc1cn(/C=C/CBr)nn1	881294695	AISZTDLHJDWZAG-GSQGTZRGSA-N	301.188	1.100	50	20	DDGD	
C[C@@H](CCOc1ccccc1)C(=O)NNC(=O)C1CCOCC1	883065109	ZMNDIYVRFLFLOK-ZDUSSCGKSA-N	320.389	1.666	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ncncc2Cl)c(F)c1	782160026	OZALRZWGUPZFFU-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCC(=O)c1c(F)cccc1F	887151876	NOXQKSXIRLSYQX-UHFFFAOYSA-N	322.311	1.879	50	20	DDGD	
CSc1ccncc1NC(=O)C(=O)NNc1ccccc1	784765071	NFLWVTAAWXQXQG-UHFFFAOYSA-N	302.359	1.885	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cccc(O)n1	788264632	VYAGQMITHJMECS-VIFPVBQESA-N	319.292	1.155	50	20	DDGD	
CN(NC(=O)C(=O)Nc1ccn(CC(F)F)n1)c1ccccc1	783431591	HIZYNHIGMYZAKH-UHFFFAOYSA-N	323.303	1.254	50	20	DDGD	
COC(=O)CCCC(=O)NN=c1sc2ccccc2n1C	780978950	KYNANFNWPFHWBU-UHFFFAOYSA-N	307.375	1.515	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@H]1CC(c2ccccc2)=NO1	781804338	HFQXCFPJWZQDIQ-GFCCVEGCSA-N	317.736	1.766	50	20	DDGD	
CO[C@@H]1CCOC[C@H]1NC(=O)NNc1cc(F)c(F)c(F)c1	898096648	HLAVHEZWGWEVBN-GHMZBOCLSA-N	319.283	1.534	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1cc(C)ccc1Cl	782478117	HSNZXMFQWBRYKB-UHFFFAOYSA-N	305.787	1.503	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNc2cc(C)ccn2)c1F	783934136	NJYIGXDFZPPYCK-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	785408737	VNQICLYHZXRVSW-BGZDPUMWSA-N	309.288	1.081	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)SCC(=O)OCc1ccccc1	794447911	FGKQEFGILROHBQ-LLVKDONJSA-N	324.402	1.409	50	20	DDGD	
CN1CCCC(C)(C)[C@H]1CNC(=O)NNC(=O)c1ccc[nH]1	790890325	JMFDDYWIYZYJHE-GFCCVEGCSA-N	307.398	1.079	50	20	DDGD	
CSC[C@@H]1CCCN([C@@H](C)C(=O)NNC(=O)CC(C)C)C1	795597819	FLQGEROULOUPIY-QWHCGFSZSA-N	315.483	1.643	50	20	DDGD	
Cn1cc(C=NNC(=O)C(=O)NC2CC2)c2cc(F)ccc21	794851263	QSENKBLMTGLZFH-UHFFFAOYSA-N	302.309	1.046	50	20	DDGD	
O=C(COC(F)F)NNC(=O)CSc1ccc(Cl)cc1	794614193	TZBRKWZELNTRSN-UHFFFAOYSA-N	324.736	1.819	50	20	DDGD	
CC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1cc(C)n(C)n1	799865967	PPBKHBCYMOKIEY-UHFFFAOYSA-N	301.306	1.791	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)c1ccn(CC(F)F)n1	790665432	ILHUZDKTDVXREW-UHFFFAOYSA-N	317.299	1.875	50	20	DDGD	
Cc1cccc(CCNC(=O)NNC(=O)CC(F)(F)F)n1	792238296	OFPJUNYPMZIVRG-UHFFFAOYSA-N	304.272	1.215	50	20	DDGD	
CC(=NNC(=O)c1cc(-c2ccccc2)on1)c1ccc(O)nn1	790155721	QHHCKKAXLIXQRO-UHFFFAOYSA-N	323.312	1.991	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccnc(OC2CCC2)c1	1319835660	KJNOHGUBPAJEBE-UHFFFAOYSA-N	317.267	1.726	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CC[C@@H](O)C23CCCC3)c1	1328731882	UHYRHUCVNLCIDL-GFCCVEGCSA-N	323.418	1.790	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CCc1cccc(N(C)C)c1	1321471108	RBULFBYPJXBPCO-UHFFFAOYSA-N	308.451	1.589	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@H]1CC12CCS(=O)(=O)CC2	1330489175	SCJBPVBWOBYCFQ-MRVPVSSYSA-N	314.234	1.463	50	20	DDGD	
COCC(=O)NCCC(=O)NNc1ccc(C(C)(C)C)cc1	1337481434	DJRFOVKOBBGSBM-UHFFFAOYSA-N	307.394	1.580	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCO[C@H](C(F)(F)F)C1	698732545	UCVKABKGRFXDIQ-QMMMGPOBSA-N	309.737	1.598	50	20	DDGD	
COC(=O)c1cc(C(=O)OC[C@]2(C)C[C@@H]2Br)on1	1344035097	ISBCRPGPWMSZFU-KWQFWETISA-N	318.123	1.792	50	20	DDGD	
COC1(CCNC(=O)NNc2nncc(N)c2Cl)CCC1	1348061398	DMPJPQJZVIKEJO-UHFFFAOYSA-N	314.777	1.298	50	20	DDGD	
CN(C)C1(CNC(=O)NNC(=O)c2ccccc2Cl)CC1	1262194490	SHRYCADPCWWGGL-UHFFFAOYSA-N	310.785	1.378	50	20	DDGD	
Cc1ccc2c(c1)S[C@@H](C(=O)NNC(=O)C1CCOCC1)C2	1354128354	LACNQPGKGNPEQH-CQSZACIVSA-N	320.414	1.586	50	20	DDGD	
Cc1c(O)nc2ccccc2c1C(=O)NNC(=S)NC(C)C	1354381723	GKFXPTQPYFFYOX-UHFFFAOYSA-N	318.402	1.766	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)C12CCC(C(=O)O)(CC1)C2	1601543696	JEURJZOFCGNMSF-UHFFFAOYSA-N	321.333	1.145	50	20	DDGD	
O=C(O)[C@@]1(C(=O)NNc2ncncc2F)C[C@H]1c1ccccc1	1601703132	VOJPNFGEYYWXOQ-BONVTDFDSA-N	316.292	1.317	50	20	DDGD	
Cc1ccc(C=NNC(=O)NCC(=O)O)c(-c2ccnn2C)c1	1607767534	HIADKUNGUHNUSF-UHFFFAOYSA-N	315.333	1.113	50	20	DDGD	
O=C(/C=C\c1ccncn1)NNc1ccc(C(=O)O)c(F)c1	1608288487	MLUUGFMKRXBGFM-RQOWECAXSA-N	302.265	1.470	50	20	DDGD	
CNc1ncccc1C(=O)NNc1ccc(C(=O)O)c(F)c1	1606315885	YIIODRONBSVTJH-UHFFFAOYSA-N	304.281	1.718	50	20	DDGD	
Cc1cccc(NNC(=O)CCCn2ccc(C(=O)O)n2)n1	1600542650	UXIYKUDYOVVVHR-UHFFFAOYSA-N	303.322	1.208	50	20	DDGD	
CC[C@@](C)(CNC(=O)NNc1cccc(C(=O)O)c1F)OC	1604905558	FVZRQOAWYXSIRV-AWEZNQCLSA-N	313.329	1.965	50	20	DDGD	
O=C(O)[C@H]1C[C@@H](C(=O)NNc2ccc(Br)nc2)C1	1602213755	DYKQXDWAWWYGPY-KNVOCYPGSA-N	314.139	1.398	50	20	DDGD	
CC[C@@H](C(=O)O)C(=O)NNC(=O)c1cn(C)c2ccccc12	1609886721	SABZQDPNMCKVMF-SECBINFHSA-N	303.318	1.050	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1ccc(F)c(C(=O)O)c1)C(C)C	1603035442	WYLLRSGRWOTACR-LBPRGKRZSA-N	311.313	1.128	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)/C=C\c2cc(C(=O)O)co2)n1	1607631945	AOYTZHLQTDOQDF-ARJAWSKDSA-N	302.290	1.541	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(CC(=O)O)cc1)[C@H]1CCCOC1	1604291547	NESZWFJPXGABPD-YPMHNXCESA-N	321.377	1.755	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1ccc(C)nc1C	1549319668	IQJFGKHYZPLLTD-GOEBONIOSA-N	316.405	1.402	50	20	DDGD	
O=C(O)[C@@H]1C[C@H]2CC[C@H]1N(CCCI)C2	1610738318	BUQSRLHURYPAQQ-OPRDCNLKSA-N	323.174	1.997	50	20	DDGD	
CO[C@@H]1CCCC(=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)CC1	1550191881	IWMKWDPFILABBC-ZNMIVQPWSA-N	309.410	1.301	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@@H]1C=NNC(=O)c1cc[nH]n1	1552763466	UMDPAXPMYSKZIR-ZYHUDNBSSA-N	302.338	1.120	50	20	DDGD	
COCCNCC(=O)NNc1ccc(OC)cc1C(F)(F)F	1579044359	JEKPUYZCAQDCHJ-UHFFFAOYSA-N	321.299	1.393	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccccc2C(=O)O)o1	1598959819	LSAQQSBEMWIOEE-UHFFFAOYSA-N	304.258	1.521	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)c1ccccc1F)CC(=O)O	1590726669	TUIWMOUXKPQBPA-UHFFFAOYSA-N	311.313	1.271	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)/C=C/c1cnccn1	1599377357	VBDXAFKZUJUHET-HWKANZROSA-N	314.301	1.340	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNc2ccc(CC(=O)O)cc2)[C@H]1C	1594636869	XWOCVLZYTOPREF-ZVXAKGHKSA-N	306.362	1.816	50	20	DDGD	
O=C(O)CCc1ccc(C=NNC(=O)c2ccc(O)cc2)o1	1776012329	AGOXDHCTTYBBJB-UHFFFAOYSA-N	302.286	1.766	50	20	DDGD	
O=C(NN=Cc1cc(C(=O)O)c(Cl)s1)c1ncccn1	1776081571	VAPAXZTWRCDXJB-UHFFFAOYSA-N	310.722	1.654	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc3c(c2)OCC(=O)N3)n1	14514689	COAQUGDUEANUIV-UHFFFAOYSA-N	313.317	1.181	50	20	DDGD	
C=C[C@@H](CC(=O)NNC(=O)NCCCOC)c1ccccc1	160408416	DMPOYFKRKRECHQ-ZDUSSCGKSA-N	305.378	1.713	50	20	DDGD	
CCc1oc2ccccc2c1C(=O)NNC(=O)c1cnn(C)c1	152372857	NIHQYLXJGBGPSS-UHFFFAOYSA-N	312.329	1.804	50	20	DDGD	
CN1N=C(C(=O)NNc2nc(C(F)(F)F)cs2)CCC1=O	152803777	MQOMUTXJHLDBIC-UHFFFAOYSA-N	321.284	1.213	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2C[C@]23CCCc2ccccc23)[nH]n1	153247885	MEAKQZRCLXESCE-KDOFPFPSSA-N	324.384	1.773	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)[nH]n1	153305070	XVFOAYHOCBPODJ-VHSXEESVSA-N	320.299	1.561	50	20	DDGD	
COc1ccc(NNC(=O)NCCCc2cnn(C)c2)nc1	157132466	ZICGLCIDXOBOAH-UHFFFAOYSA-N	304.354	1.083	50	20	DDGD	
NCC1(C(=O)NNc2nc(-c3ccccc3)no2)CCCC1	155334498	LBAKLVVLLOWJLU-UHFFFAOYSA-N	301.350	1.699	50	20	DDGD	
N#Cc1ccc(NNC(=O)CCn2cc([N+](=O)[O-])cn2)cc1	155366485	DMYQDRJFMIYADX-UHFFFAOYSA-N	300.278	1.196	50	20	DDGD	
C[C@H](Sc1nnnn1C1CC1)C(=O)NNc1cccc(F)c1	154221462	ZZZYMBACHLWIGL-QMMMGPOBSA-N	322.369	1.771	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNC(=O)c2ccccc2)ccc1F	159538933	RAHLAJREVNSBKO-UHFFFAOYSA-N	315.304	1.534	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCC(=O)N(CC)Cc1ccccc1	159163898	ATIOWUIFCQQMTP-SQFISAMPSA-N	315.373	1.595	50	20	DDGD	
CC(C)(C)OC(=O)N1CC=C(CNS(=O)(=O)CCl)CC1	831164862	HHGMQKBDQAVXMD-UHFFFAOYSA-N	324.830	1.669	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNC(=O)COc1cc(C)cc(C)c1	7697819	BQPJXIQFTVPVBQ-UKTHLTGXSA-N	317.345	1.274	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CCCc1ccc2c(c1)CC(=O)N2	104269395	JERBNLGECRCHLH-UHFFFAOYSA-N	317.389	1.697	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)n1C	53626038	HLCNHRIDTFBQSJ-UHFFFAOYSA-N	315.329	1.180	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccc(C(C)(C)C)nn2)c(=O)[nH]1	118528395	HSBASADBSMTEHO-UHFFFAOYSA-N	301.350	1.528	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)c1ccc(C)s1)c1ccco1	175759636	JSRKASHOLJRYCQ-JTQLQIEISA-N	323.374	1.981	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCCn1cncn1)c1ccccc1	111630802	JJUCONBGOHNCBF-CQSZACIVSA-N	315.377	1.400	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)c2cccn2C)cc1	173409445	QCJWXYHPTXRRBI-UHFFFAOYSA-N	301.350	1.558	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@H](C)N(C)C2CC2)cc1	105266318	QNUYXIAECRZAPR-LBPRGKRZSA-N	318.421	1.676	50	20	DDGD	
COc1cccc(CO[C@@H](C)C(=O)NNC(=O)NC2CC2)c1	68266660	MDEBWQHKTYCBNI-JTQLQIEISA-N	307.350	1.093	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)c1ccc(C)o1)c1ccccc1	84373760	MIQYWSIATLHJGF-MRXNPFEDSA-N	302.330	1.911	50	20	DDGD	
O=C(COc1ccccc1C(F)(F)F)NNC(=O)NC1CC1	64427668	NGIAFMQGLHCMMT-UHFFFAOYSA-N	317.267	1.577	50	20	DDGD	
CCNC(=O)NNC(=O)CCc1ncc(-c2ccccc2F)o1	68454584	XCPNLWMFBAIRBQ-UHFFFAOYSA-N	320.324	1.764	50	20	DDGD	
O=C(Cc1cccc(Cl)c1)NNc1ncnc2nc[nH]c12	173930866	IBLHVHLLPBEEDV-UHFFFAOYSA-N	302.725	1.692	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(CNC(C)=O)cc1	68266466	MLLLAQJKUKPQOJ-UHFFFAOYSA-N	306.366	1.067	50	20	DDGD	
N#C/C(=C\c1cc(F)c(O)c(F)c1)C(=O)NC[C@@H]1CCCO1	175317840	CEBMGMPDNYSIEI-INJWIWPUSA-N	308.284	1.873	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCN(CC)c1ccccc1C	66699845	YHNOKSUFZVBDEG-UHFFFAOYSA-N	322.409	1.188	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)c2ccc(C)o2)cc1F	175830522	SOOCBWSNUUHWOI-UHFFFAOYSA-N	306.293	1.739	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)COc1ccc2ccccc2c1	68017839	ITVMBGGMFDJEET-UHFFFAOYSA-N	324.340	1.711	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	173070369	CMLMYIIQDIUSSR-GFCCVEGCSA-N	324.352	1.723	50	20	DDGD	
O=C(Cc1ccc([N+](=O)[O-])cc1)NNC(=O)NCc1ccco1	65177761	QGPMGECPEALSOA-UHFFFAOYSA-N	318.289	1.261	50	20	DDGD	
C=CC[C@H](C)NC(=O)NNC(=O)Cn1ccc2ccccc21	116956542	BMPZSFXTTAWMEA-LBPRGKRZSA-N	300.362	1.936	50	20	DDGD	
CC[S@](=O)c1ccccc1C(=O)NNC(=O)c1ccc(C)o1	176214338	YBXCQRDBZCWKPU-QFIPXVFZSA-N	320.370	1.790	50	20	DDGD	
Cc1cc(NNC(=O)CCc2nc(-c3ccco3)no2)ncn1	172276791	GQBHUMYGBYUYKE-UHFFFAOYSA-N	314.305	1.504	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cc(C(N)=O)c[nH]1)c1ccccc1	176607740	TYMBJRKGMGWRNA-LBPRGKRZSA-N	314.345	1.068	50	20	DDGD	
Cc1[nH]ccc1C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	176121764	NDANBWHIMKFOLP-UHFFFAOYSA-N	309.329	1.788	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCc2cc(C)no2)c1	64230826	QFFBRGMNBWHPFY-UHFFFAOYSA-N	318.333	1.201	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C\c1ccc(N(C)C)c(F)c1	68918225	UXMLBSHEADIKAZ-HKMIMPICSA-N	305.353	1.950	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NNc1cc(F)c(F)cc1F	128048743	PWJAIUFLGHLXDT-JTQLQIEISA-N	318.299	1.774	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1nc2c(s1)COCC2	185623319	UAIWBGABPXJAPR-UHFFFAOYSA-N	321.362	1.021	50	20	DDGD	
CCC[C@@H](C)C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12	78230298	WOAOIUQQHLKNRW-SECBINFHSA-N	302.334	1.120	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNC(=O)c2cc(C)n[nH]2)cc1C	183403504	AWTPCQSZWNOCIA-UHFFFAOYSA-N	315.333	1.696	50	20	DDGD	
Cc1noc(C)c1C[C@@H](C)NC(=O)NNc1ccc(Cl)nn1	128407781	GEWVUVKKPJDULN-SSDOTTSWSA-N	324.772	1.992	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NNc2cccnn2)cc1	184794506	KVQXFIYHRJXIGR-JLHYYAGUSA-N	309.329	1.926	50	20	DDGD	
CCc1nnc(NC(=O)NNC(=O)Cc2ccc(F)cc2)s1	182841969	SZDVFXWGCNAXKY-UHFFFAOYSA-N	323.353	1.635	50	20	DDGD	
Cc1nc(CC(=O)NNC(=O)Cc2ccccc2C)cs1	45294292	IIRUJJBEQNONKE-UHFFFAOYSA-N	303.387	1.693	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)C(C)(C)C)CCN1CC(F)(F)F	135378589	NHCHNFNUXMOJTJ-VIFPVBQESA-N	324.347	1.342	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cnn(C(C)C)c1	191476377	CYOYRBFIOOZUKX-UHFFFAOYSA-N	302.334	1.547	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2C)o1	84292018	OIVFBEKWTSGCPT-UHFFFAOYSA-N	303.274	1.879	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1F)Nc1ccncn1	194206087	QKHGULAZBXIDFX-UHFFFAOYSA-N	309.688	1.736	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NNc2ncccn2)cc1	44717315	CZPBKFMXJQDVSH-JLHYYAGUSA-N	309.329	1.926	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)C(F)(F)c1ccc(F)cc1	139280646	KCNWVJNZCKQMLF-UHFFFAOYSA-N	301.268	1.658	50	20	DDGD	
CN(C)C(=O)CNC(=O)NNc1ccccc1C(F)(F)F	43713828	SXICYVWRAIESES-UHFFFAOYSA-N	304.272	1.420	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNc2ccccc2[N+](=O)[O-])nn1	190336384	YKTCCMFIHHQMRC-UHFFFAOYSA-N	304.310	1.698	50	20	DDGD	
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)NN	193442540	OBZYDHRTBJHSOF-NSHDSACASA-N	311.407	1.162	50	20	DDGD	
Cc1ccc(N2CCCC2)c(C(=O)NNC(=O)C(C)(C)O)c1	190075705	NSCXPIIRFVWPNV-UHFFFAOYSA-N	305.378	1.127	50	20	DDGD	
O=C(NNc1ncccn1)N[C@H]1CCOc2c(F)cccc21	191010401	RYGUAQJNZURWQF-NSHDSACASA-N	303.297	1.766	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc(F)cc1C	94120600	XRHSLGUFNNCTKN-UHFFFAOYSA-N	301.412	1.606	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)C(=O)N(C)C)cc1	255830539	ILOBKMQBYSVYNM-GVIGZQTCSA-N	315.373	1.585	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2csc(C(C)(C)C)n2)[nH]n1	268815298	IFMNWTOWSKNWHE-UHFFFAOYSA-N	307.379	1.547	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H](C)NC(=O)C(C)(C)C	264518114	DKAHOVSMCKPQGK-JTQLQIEISA-N	321.377	1.007	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1ccc(Cl)nc1	269829550	JAKGPONMWOIEHU-UHFFFAOYSA-N	300.746	1.704	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)NCCCCC#N)cc1	264045831	HTNGSJCPXRRKCV-UHFFFAOYSA-N	320.349	1.098	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)C[C@@H]1CCCCO1	267977906	FDMAOQWGDXBKQA-NSHDSACASA-N	323.418	1.972	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)NCCC1CC1	266638368	UAKLDZQKNFNYAE-UHFFFAOYSA-N	307.350	1.205	50	20	DDGD	
CNC(=O)NNC(=O)[C@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2	267129433	LJTAFYDTGHDTOO-GRDNDAEWSA-N	301.390	1.996	50	20	DDGD	
CC1(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)COC1	272881788	WVMFGHJQDSAXIC-UHFFFAOYSA-N	308.403	1.815	50	20	DDGD	
C=C(CBr)CN1CCC[C@H](N2CCNC2=O)C1	366180489	HBZMJHBMIWHKDW-NSHDSACASA-N	302.216	1.427	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)ccn1	279743601	NTUBLXXLQBMKHL-SNVBAGLBSA-N	322.365	1.064	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)C1CCN(C2CC2)CC1	279695048	IODKMZJHQQKMFS-UHFFFAOYSA-N	319.380	1.390	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCOC[C@@H]1c1c(C)n[nH]c1C	369254547	UNXQIBFUOMSCSW-YQCJOKCJSA-N	304.350	1.370	50	20	DDGD	
C[C@@H]1C[C@@H](N2CCCC2)CN1CCI	375784956	ABYXVPBXKPPMIH-GHMZBOCLSA-N	308.207	1.980	50	20	DDGD	
C#CCN1CCC(C(=O)NNc2nccnc2C2CCC2)CC1	286910735	HMMVDQRFYVEKGG-UHFFFAOYSA-N	313.405	1.532	50	20	DDGD	
CCc1ccc([C@H](O)CNC(=O)NNC(=O)C(C)(C)C)cc1	287492148	UCONNEGWQHSDSI-CYBMUJFWSA-N	307.394	1.659	50	20	DDGD	
COCCc1ccnc(NC(=O)NNC(=O)c2cccn2C)c1	287365448	OGQYDMUKKBAIGQ-UHFFFAOYSA-N	317.349	1.076	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)C1(S(C)(=O)=O)CC1	280147934	BFCTUQHDDSYDIG-UHFFFAOYSA-N	319.386	1.564	50	20	DDGD	
COc1cc(NNC(=O)C2=NN(C)C(=O)CC2)ccc1Cl	370131675	LBMSYWSVHITBGH-UHFFFAOYSA-N	310.741	1.400	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@H]1[C@@H]1CCCO1)c1ccccc1	284193113	YIGDBINNEHZABA-KBPBESRZSA-N	303.362	1.684	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@](C)(O)C2CC2)c1C	288454008	TXHDGYQYONMVQB-YVEFUNNKSA-N	320.389	1.379	50	20	DDGD	
Cn1nnc2c1C[C@H](C(=O)NNc1c(F)cccc1F)CC2	290622370	YCAWRXJGGUFEGR-MRVPVSSYSA-N	307.304	1.342	50	20	DDGD	
C=CCCOCC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802123928	ZIISDHCCKWRQPD-UHFFFAOYSA-N	306.366	1.498	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N=c1cc[nH]cc1)c1ccc(F)cc1	802028093	JQNWVYYFSZQMFF-UHFFFAOYSA-N	316.336	1.773	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1Cc2cccc(Cl)c2C1	805804003	KQBPIYDJRZDKRD-UHFFFAOYSA-N	309.797	1.849	50	20	DDGD	
Cc1cc(C(F)(F)F)nn1CC(=O)NNc1ncncc1F	294158548	VLJDDWFRCWULDQ-UHFFFAOYSA-N	318.234	1.283	50	20	DDGD	
CCc1ccc(CCC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	295341923	IAYPOWZYGJUYKI-HNNXBMFYSA-N	304.390	1.898	50	20	DDGD	
Cn1ccnc(NNC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)c1=O	806998096	QWIZUDQSHQYWJR-FRRDWIJNSA-N	304.394	1.830	50	20	DDGD	
CSSCCNS(=O)(=O)CCc1scnc1C	296139892	SRGHCTCSTACDFT-UHFFFAOYSA-N	312.507	1.925	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(C(C)=O)o1	807368686	JGBKSKJAENWBGG-UHFFFAOYSA-N	312.322	1.032	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)COc1cccnc1	805378471	JCVOSOKMBHVQPX-UHFFFAOYSA-N	302.290	1.820	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccc[nH]1)[C@H]1OCCc2sccc21	292127948	CONFNQLTXDYMDU-NOZJJQNGSA-N	319.386	1.787	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCc2scnc2C)n1	298919745	MIILNDDCFVKUQB-UHFFFAOYSA-N	304.375	1.549	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1nccn1-c1ccccc1	801757123	ILQFJCCWIZXNSX-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)NC2CC(c3ccccc3)C2)O1	297611614	JWSAKRPKTRUZEL-LLGZUXRYSA-N	317.389	1.831	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@H]1CCCCN1Cc1cccc(F)c1	1352303631	RDOQVSYKGDWMLA-XJKSGUPXSA-N	323.412	1.524	50	20	DDGD	
CCNC(=O)NNC(=O)c1c(F)cc(C(F)(F)F)cc1F	813424075	FVVZEAOIVWTKIB-UHFFFAOYSA-N	311.210	1.948	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@](C)(O)C2CCC2)c1	813365872	GZWXHGJOVMCZLI-KRWDZBQOSA-N	320.389	1.381	50	20	DDGD	
Cn1nncc1NNC(=O)c1cccc(OC(F)(F)F)c1	816770265	PXNNIJDNMMTQTP-UHFFFAOYSA-N	301.228	1.471	50	20	DDGD	
O=C(NCC[C@]1(O)C[C@H]2CC[C@H]1C2)NNc1ncncc1F	814347051	SVOSJYMRSGDSEO-BHDSKKPTSA-N	309.345	1.183	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@]1(C)CC1(F)F	817251382	JZTBOWITPVBCPI-PRHODGIISA-N	306.309	1.157	50	20	DDGD	
CCc1cc(NC(=O)NNC(=O)c2cccc(C)n2)nn1C	817331405	IXJZAXMJIJUBJF-UHFFFAOYSA-N	302.338	1.152	50	20	DDGD	
C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NN(C)C1CC1	819649620	UTSOXLAMOLQCLQ-JTQLQIEISA-N	314.382	1.361	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)COc1ccc(F)cc1	811633459	OHZBQBOWBPLERP-GFCCVEGCSA-N	307.325	1.365	50	20	DDGD	
O=C(NN=C1COc2cccc(Cl)c21)C(=O)N1CCCC1	814824790	KVRAKDRCFFRYAL-UHFFFAOYSA-N	307.737	1.175	50	20	DDGD	
Cc1cc2c(cc1C)C(=NNC(=O)CN1CCCC1=O)CO2	814761064	NTYAKRBTAKOQNQ-UHFFFAOYSA-N	301.346	1.139	50	20	DDGD	
CCS(=O)(=O)N[C@@H](C)C(=O)NNc1cccc(Cl)c1	816845017	YGCIBMHVLUBYES-QMMMGPOBSA-N	305.787	1.111	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1sc(C)nc1C	726737366	PNEAKZUOFIVILJ-SNVBAGLBSA-N	315.420	1.035	50	20	DDGD	
CC(=NNC(=O)CC(F)(F)F)c1ccc(-c2nn[nH]n2)s1	823948750	WHQKLFGRCCFWTE-UHFFFAOYSA-N	318.284	1.721	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H]1CCCCN(C)C1=O	822483924	YRFOZCGNBDHQRX-LLVKDONJSA-N	305.382	1.302	50	20	DDGD	
C=CCOc1ccc(C=NNC(=O)C(=O)NC(C)C)cc1Cl	727253127	AWLWNTXCQVVZHL-UHFFFAOYSA-N	323.780	1.880	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cc[nH]n2)ccc1OC(C)C	821308892	QYPSLBISQVUWLE-UHFFFAOYSA-N	317.349	1.972	50	20	DDGD	
C[C@@H]1CN(CCC(=O)NNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)C[C@@H](C)O1	823812873	QPWLUPRFTLYYRX-ARILJUKYSA-N	323.437	1.069	50	20	DDGD	
Cc1ccc(CN(C)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	827314944	LRTSMZRUOYYKPL-TZMCWYRMSA-N	305.378	1.593	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@@H](CO)C2CCCCC2)cn1	491048623	LBCOCIBYVLMBEE-UJPCXNRSSA-N	316.405	1.632	50	20	DDGD	
O=C(CCl)NCCc1nc(O)c2cc(Cl)ccc2n1	727864846	CMJDESHWWRXJLA-UHFFFAOYSA-N	300.145	1.886	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@H](c2cccnc2)C1	829519043	RLTJHWQONKFRTH-HIFRSBDPSA-N	318.421	1.453	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCCNc1cnccn1	490875406	IEWBVYKMIBBBDS-UKTHLTGXSA-N	311.320	1.751	50	20	DDGD	
Cc1ccccc1NNC(=O)c1ccc(-c2nn[nH]n2)s1	822361871	JOTJVAIPFHTKIO-UHFFFAOYSA-N	300.347	1.994	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCN(C)[C@@H]1C	823548949	CLFGWSPBCQMLQJ-TZMCWYRMSA-N	319.405	1.115	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCS[C@H](C)C2)cc1	728930523	VEMJFGJIUSASDX-GFCCVEGCSA-N	307.419	1.193	50	20	DDGD	
CC(C)(C)OC(=O)NC1CC(=NNC(=O)Cc2cccnc2)C1	495653301	QYHMQNGFEUNZLA-UHFFFAOYSA-N	318.377	1.783	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NC[C@@](C)(O)C2CC2)cc(C#N)n1C	490664260	PCUMOEFMPKUCJB-YBSJANCESA-N	312.373	1.389	50	20	DDGD	
CC[C@@H](CSc1ccccc1)NCc1ccc(B(O)O)o1	585030208	OVXVYPFWXWSLRM-LBPRGKRZSA-N	305.208	1.620	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(OC)c(NC(N)=O)c1	491174176	GMQATICGGAHFAI-HJWRWDBZSA-N	304.306	1.568	50	20	DDGD	
CCOCc1nc(C)c(C(=O)NNC(=O)c2cc(C)[nH]n2)s1	827018978	YNNVKYKYTRLEND-UHFFFAOYSA-N	323.378	1.094	50	20	DDGD	
C[C@H](CNC(=O)/C(C#N)=C\c1ccc(F)cc1)S(C)(=O)=O	490839122	CCYKNSDKKASUIO-VPMLRQHESA-N	310.350	1.282	50	20	DDGD	
N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(B(O)O)cc1F	585048518	RRMRLFQAWWPDEK-GOSISDBHSA-N	324.164	1.544	50	20	DDGD	
COc1cccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1	826214553	PIGBCEOPBYAOGI-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
CCOC(=O)[C@@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(C)(C)C	826962235	ZLYIWNONNOHFTG-BWODNOAJSA-N	318.377	1.421	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@H]1CO[C@@H](C)C1)c1ccccc1	827612917	QWLXARBKUQDRBH-YUTCNCBUSA-N	305.378	1.688	50	20	DDGD	
Cc1cc(C)c(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(C)c1	730575429	DAZQRLZPBHTNJZ-CYBMUJFWSA-N	308.403	1.497	50	20	DDGD	
CCCN(NC(=O)CCCC(=O)N(C)C)C(=O)OC(C)(C)C	496997038	VJEAWNHYVKEUJO-UHFFFAOYSA-N	315.414	1.923	50	20	DDGD	
CCOC(=O)NNC(=O)CCC(=O)c1ccc(OC)c(F)c1	493097382	HWRYOOIBFHPNCV-UHFFFAOYSA-N	312.297	1.575	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1cnc(C2CC2)nc1	836372556	CMEGGYWYPLNWHR-NSHDSACASA-N	305.338	1.076	50	20	DDGD	
O=C(NNc1cccnn1)[C@H](CN1CCCC1)c1ccccc1	832040073	XZNNTPZMOQHNAL-OAHLLOKOSA-N	311.389	1.799	50	20	DDGD	
CCO[C@H]1C[C@H](NCc2ccc(B(O)O)cc2F)C12CCCC2	585027350	QXWYNTFHMNZORY-HOTGVXAUSA-N	321.201	1.333	50	20	DDGD	
C[C@]1(C(=O)NC[C@H](O)C2CCOCC2)C[C@@H]1Br	907013008	MLYTXIBPYRVPKO-NHCYSSNCSA-N	306.200	1.064	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1oc2ccc(F)cc2c1C	732083132	UZRJKYUOROSVBI-UHFFFAOYSA-N	316.292	1.987	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)OCC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cn1	837971950	RZTOPQLSUKWORU-JOLPWIRRSA-N	313.357	1.876	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1C[C@H]2CC[C@H]1c1ccccc12	584987850	VURLVZLHMITBDJ-DYVFJYSZSA-N	307.158	1.441	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H]2CCC[C@@H]2C(=O)NC)cc1	838534672	PKYJYKTYQRVNEE-UONOGXRCSA-N	320.393	1.626	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNC(=O)c1cc2c(s1)CCC2	839472541	ATBFOMLMTMPUCU-JTQLQIEISA-N	323.418	1.145	50	20	DDGD	
CO[C@@H]1C[C@H](NC(=O)NNc2cccc(C(=O)O)c2)C1(C)C	833719687	SPTQNSCFECTPAF-NWDGAFQWSA-N	307.350	1.824	50	20	DDGD	
O=C(NNc1cnccn1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	734245502	IXXHTZUBRDVZOC-SNVBAGLBSA-N	315.308	1.112	50	20	DDGD	
CC(C)(NC(=O)O)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	736337460	PLLQPJMMHXQYQR-UHFFFAOYSA-N	316.701	1.738	50	20	DDGD	
CC(C)(C)O[C@@H]1C[C@H](NCc2ccc(B(O)O)o2)C12CCC2	585050276	VVROEZCICSOFOJ-QWHCGFSZSA-N	307.199	1.175	50	20	DDGD	
CCC[C@@H](C(=O)NNc1c(F)cccc1Cl)S(N)(=O)=O	832357930	UIIWFWIQZQNPKY-VIFPVBQESA-N	323.777	1.379	50	20	DDGD	
Cc1cc(Cl)c(NC(=O)C(=O)NNC(=O)C2CCC2)cc1C	835227244	BTXBLRCLVIZXHU-UHFFFAOYSA-N	323.780	1.843	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNC(=O)CC2CC2)c(F)c1	839512546	OERXRVDVGWYJTO-UHFFFAOYSA-N	323.324	1.110	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@@H](C)CCCc1cccnc1	839145811	TWVWWUQVDPUNAV-STQMWFEESA-N	306.410	1.328	50	20	DDGD	
Cc1nnnn1-c1ccc(C(=O)NCC(Cl)Cl)c(F)c1	837647441	DKIQDONGURYWCS-UHFFFAOYSA-N	318.139	1.643	50	20	DDGD	
CCNC(=O)CCC(=O)NNc1cccc(Br)n1	837210386	MNBOOOYTFHOATL-UHFFFAOYSA-N	315.171	1.204	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cccc(CN(C)C)c1	831212763	VJDRFKFILBTOIF-RISCZKNCSA-N	320.393	1.326	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@H](C2CCCCC2)C1	585007977	RBEMPAQEKRKOOL-AWEZNQCLSA-N	319.185	1.548	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@H]2CCOC(C)(C)C2)o1	836674998	VTJXIRZCARHIRV-LLVKDONJSA-N	309.366	1.737	50	20	DDGD	
CCCCNC(=O)NNC(=O)C1CN(C(=O)C2CCCCC2)C1	836480762	TUECXVORYVIGBM-UHFFFAOYSA-N	324.425	1.156	50	20	DDGD	
COc1ccc(C(=O)NN=C2CCn3ccnc32)c(OC)c1	834955029	GFENQFMYWKLSMW-UHFFFAOYSA-N	300.318	1.438	50	20	DDGD	
O=S(=O)(CCl)NCCOc1cccc(C(F)(F)F)n1	830967604	WAYYSKNGRNSDNJ-UHFFFAOYSA-N	318.704	1.595	50	20	DDGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CC[C@@](F)(C(=O)O)C1	833061360	AJTBDQKGNQBHME-RUJPKEBESA-N	305.265	1.958	50	20	DDGD	
O=C(NN=CCCc1cnoc1)[C@@H]1COc2ccccc2O1	834918553	XKFCKGGRUVNFKH-AWEZNQCLSA-N	301.302	1.549	50	20	DDGD	
C[C@H]1CC(=NNC(=O)NCC(=O)O)CN1Cc1ccccc1	833586240	DNOWGZNFCWMVJP-NSHDSACASA-N	304.350	1.021	50	20	DDGD	
COc1sc(C=NNC(=O)CN(C)C)cc1Br	746575265	COLXKJXRNXVCJX-UHFFFAOYSA-N	320.212	1.531	50	20	DDGD	
C[C@@H](CCc1ccco1)NC(=O)NNC(=O)CC(F)(F)F	918058818	NRACCRTXKXOQET-QMMMGPOBSA-N	307.272	1.884	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCOC2(CCCCC2)C1	744407639	XVDBQSRVJZCYEB-UHFFFAOYSA-N	311.426	1.215	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1c(C)nc2sc(C)cn12	748259826	XIKLSAXETZUOLR-LLVKDONJSA-N	324.406	1.514	50	20	DDGD	
CS(=O)(=O)c1ccc(NC(=O)NN=Cc2cc[nH]c2)cc1	745203194	GVEWELNMJWKRRB-UHFFFAOYSA-N	306.347	1.574	50	20	DDGD	
CC1=C(C(=O)NNc2ncc(Br)cn2)CCCO1	848321045	GXYOWYXTYIJCFS-UHFFFAOYSA-N	313.155	1.767	50	20	DDGD	
COc1ccc(CCC(=O)NN(C)C[C@@H](C)O)cc1Cl	910176127	YKWOTLXWAGEALH-SNVBAGLBSA-N	300.786	1.625	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1COc2ccccc2O1)[C@@H]1CCOC1	741836605	DGTSLELMSKBHGO-ABAIWWIYSA-N	304.346	1.745	50	20	DDGD	
Cc1cc(F)ccc1-n1ccc(C(=O)NN(C)C[C@H](C)O)n1	910151229	ASILUBQBQFAPJD-NSHDSACASA-N	306.341	1.277	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)CC(F)(F)F)C(=O)N2C	844577598	MQILSZIJDACWBB-UHFFFAOYSA-N	315.251	1.444	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1C2CC3CC(C2)CC1C3	843649941	XYSSILCOQDQWEO-DTZPQEEQSA-N	306.406	1.631	50	20	DDGD	
CCC1CCN(S(=O)(=O)NNC(=O)NC2CCCC2)CC1	849307488	VVMXTVNKLWQHSN-UHFFFAOYSA-N	318.443	1.100	50	20	DDGD	
CCC(CC)n1nccc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843662503	RIULGPASIKGKSI-JQWIXIFHSA-N	308.382	1.430	50	20	DDGD	
NC(=O)CC1(CNS(=O)(=O)c2ccc(CCl)cc2)CC1	916436133	RYRFWAUOOVMKQD-UHFFFAOYSA-N	316.810	1.359	50	20	DDGD	
Cn1ccc(C(=O)NNC(=O)c2cccc(Br)c2)n1	742772025	OEOBCKNEWPTTFE-UHFFFAOYSA-N	323.150	1.257	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cc(C(C)C)nn1C	746578236	SSXFNAZEUSMOJO-UHFFFAOYSA-N	300.362	1.927	50	20	DDGD	
NC[C@H]1CC[C@H](NC(=O)NNc2cc(F)c(F)c(F)c2)C1	842009335	AVUGULQLCPFTGV-YUMQZZPRSA-N	302.300	1.857	50	20	DDGD	
COc1ccccc1[C@H](C)CC(=O)NNC(=O)c1ncccn1	841353918	HSJFSPDZQSOPAZ-LLVKDONJSA-N	314.345	1.440	50	20	DDGD	
COc1cc(F)c(C=NNC(=O)[C@@H]2CCO[C@@H]2C)cc1OC	844602949	ZMILSZKEAJDWTG-MWLCHTKSSA-N	310.325	1.718	50	20	DDGD	
COc1cccc([C@@H]2C[C@H]2CNC(=O)NNC(=O)C(C)C)c1	840470296	XZAYSQWKWDCPPV-JSGCOSHPSA-N	305.378	1.785	50	20	DDGD	
CCC(=NNC(=O)N1CCOCC1)c1ccc2c(c1)OCCO2	745592019	NDEBODFVPYDNNC-UHFFFAOYSA-N	319.361	1.614	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C[C@@H](C)NC(=O)OC(C)(C)C	742519225	KAQHOALAPXBINJ-SNVBAGLBSA-N	301.387	1.483	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C1CCCC1	749332191	SNHGSJUITGUXKF-NHYWBVRUSA-N	318.373	1.800	50	20	DDGD	
CCCCNC(=O)NN=Cc1ccc(-n2cncn2)c(F)c1	920750707	JRDDVUNFGLUTRW-UHFFFAOYSA-N	304.329	1.840	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@@H](C)OCC(C)C)cc1	920805981	WYKRCQJFWMMNJT-GFCCVEGCSA-N	323.393	1.316	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc(-n2ccnc2)nn1	750662151	AMPPGMIZKGJACN-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
O=C(CN1CCC(c2cccc(F)c2)CC1)NNC(=O)C1CC1	752329243	ZAZUBPPBHXBAMA-UHFFFAOYSA-N	319.380	1.563	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	853876479	NYKOMTFYZIHSIN-KSPCNFCGSA-N	304.325	1.209	50	20	DDGD	
CCNC(=O)NNC(=O)CCOc1ccc2ccccc2c1	920889601	APAFSQNYLWDKFQ-UHFFFAOYSA-N	301.346	1.959	50	20	DDGD	
O=C(NNc1ncccc1C(F)(F)F)c1cnc2n1CCC2	857132296	ACVYXLXDDKFWKI-UHFFFAOYSA-N	311.267	2.000	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@H]1CCC(F)(F)C1	854284689	UMSDGFQRLLKJIU-VIFPVBQESA-N	309.382	1.296	50	20	DDGD	
CC(C)CCn1cc(C(=O)NNc2ncc(Cl)cn2)nn1	857356924	ZSKHTXBIMFMCAN-UHFFFAOYSA-N	309.761	1.525	50	20	DDGD	
CCCCc1nnc(NC(=O)NNC(=O)c2cnccn2)s1	755423812	QSSOKEYUAYLKEP-UHFFFAOYSA-N	321.366	1.137	50	20	DDGD	
CC(C)(C)OC(=O)NCCCCCC(=O)NNC(=O)CC#N	855858299	YTYMUCBVINDCKS-UHFFFAOYSA-N	312.370	1.133	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NNc1cccc(C(=O)OC)c1C	855626063	RGAJBZZVXRDNLW-GFCCVEGCSA-N	322.365	1.062	50	20	DDGD	
C=CCCn1cc(C=NNC(=O)[C@H](C)CN2CCCCC2)nn1	853278879	JNGSGSCAPTYYEA-CQSZACIVSA-N	318.425	1.426	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@H]2CCCN2C=O)cc1C	854574952	UPXRTSRAPPPIAS-CQSZACIVSA-N	319.361	1.236	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2C=CCC2)c(OC)c1	852069591	HKGMRDXLMQBLBF-JTQLQIEISA-N	305.334	1.366	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CNC(=O)c2cccs2)c1	751211607	UARTZITYSMRUPS-UHFFFAOYSA-N	317.370	1.248	50	20	DDGD	
Cc1cnn(-c2c(C(=O)NCCCSC#N)c(C)nn2C)c1	854361031	LAEBRHVZZOQXMB-UHFFFAOYSA-N	318.406	1.557	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC(O)(CO)CC1	855683137	DGXYDOMNKIHQEH-SECBINFHSA-N	308.216	1.142	50	20	DDGD	
Cc1cnc([C@@H](C)N[C@H](C)C(=O)NNC(=O)CC(C)C)s1	755005059	CHDGGUKURGCOON-GHMZBOCLSA-N	312.439	1.684	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NOCCOC(C)C)c1	858480996	ANNYVQODKMUMNN-UHFFFAOYSA-N	301.368	1.357	50	20	DDGD	
N#CSCCCNC(=O)c1cc(Cl)ccc1-n1cnnn1	854363244	RQNWNLFIUUKOJL-UHFFFAOYSA-N	322.781	1.650	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)c2cnccn2)cc1	755336960	PKSGKGTVOFVTST-UHFFFAOYSA-N	301.306	1.342	50	20	DDGD	
O=C(NNC(=O)c1cc2c(cc1O)OCO2)OCC(F)(F)F	856021664	KCQZNVCWHVKULV-UHFFFAOYSA-N	322.195	1.054	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)c1ccc(N2CCCC2)nn1	855469118	UABOPNQYZCXNIQ-UHFFFAOYSA-N	318.768	1.882	50	20	DDGD	
O=C(Cc1cnn2ccccc12)NNC(=S)NCC1CCC1	855093001	WDSSMPLJGPVTLD-UHFFFAOYSA-N	317.418	1.172	50	20	DDGD	
COC[C@@H](NC(=O)NNc1ccc(C)c(F)c1)[C@H]1CCCO1	854028190	JKYFCELZRLOZLP-ZIAGYGMSSA-N	311.357	1.954	50	20	DDGD	
COc1ccc2c(c1)CCN(C(=O)NNC(=O)C1CCCC1)C2	852279565	VKJQKSFNBRNZPD-UHFFFAOYSA-N	317.389	1.984	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNC(=O)c2cc[nH]n2)cc1	855357853	RSLWQHVEXFMNMH-JTQLQIEISA-N	302.334	1.058	50	20	DDGD	
CCc1nn(C)cc1NC(=O)NNC(=O)c1ccc(C#N)cc1	757896754	UOXLIZJEPCNJCD-UHFFFAOYSA-N	312.333	1.321	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cn(C)nc2C(F)F)n1	755180554	YJIMVRKQSCBSAR-UHFFFAOYSA-N	312.280	1.222	50	20	DDGD	
O=C1NCCC[C@H]1C(=O)NNc1cccc(C(F)(F)F)c1	866865895	UFRQOEHRBXZZNJ-SNVBAGLBSA-N	301.268	1.675	50	20	DDGD	
CC1=C(C(=O)NNC(=O)Cc2cccnc2)CCN1C(C)C	931968352	PWDKEYJTQBFPJT-UHFFFAOYSA-N	302.378	1.160	50	20	DDGD	
CCOc1cccc(CCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	862094445	LZVYSURXLZSCCX-DOMZBBRYSA-N	320.389	1.590	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)c1ccccn1	768631014	YFUAEXBVCJFGII-UHFFFAOYSA-N	321.358	1.251	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cnc2[nH]cnc2c1)c1ccccc1	764197682	QVQDCCZRWYFNSR-UHFFFAOYSA-N	323.356	1.697	50	20	DDGD	
O=C(NN=Cc1cc(Cl)cc(F)c1O)C(=O)N1CCCC1	768364434	IOFZJTPOBNQLKR-UHFFFAOYSA-N	313.716	1.257	50	20	DDGD	
CCO[C@@H](C(=O)NNc1cccc(C(=O)OC)c1F)C1CC1	861927860	SFNFDPSMBPDOEG-CYBMUJFWSA-N	310.325	1.871	50	20	DDGD	
Cn1nc(NC(=O)NNC(=O)C2CCCC2)c2ccccc21	934448088	ZGOPIWIOQMYFEN-UHFFFAOYSA-N	301.350	1.916	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNCC(F)(F)C(F)(F)F)n1	869455109	PZVWYGZREUFJIM-ZETCQYMHSA-N	314.258	1.646	50	20	DDGD	
CN1CC[C@](O)(CNC(=O)CCCC[C@@H]2CCSS2)C1	762723525	UASZBKOBMLCYJY-OCCSQVGLSA-N	318.508	1.883	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)c2ccc3ccccc3n2)nn1	766553934	HOYXOHCQKYRHBP-UHFFFAOYSA-N	324.344	1.311	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(-c2ccccc2C)nn1C	764737218	WKUABRFKNJDUAZ-UHFFFAOYSA-N	301.350	1.958	50	20	DDGD	
COc1ccc(NNC(=O)c2cnc(OC)nc2)c([N+](=O)[O-])c1	768328578	HFOOTROPOZYJPX-UHFFFAOYSA-N	319.277	1.159	50	20	DDGD	
O=C(O)c1ccc2c(C=NNC(=O)c3cccnc3)n[nH]c2c1	765543145	MVUCKYZRBHEFDF-UHFFFAOYSA-N	309.285	1.420	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2ccc(N3CCOCC3)s2)n[nH]1	764794551	AMJOGGDJCHDPBE-UHFFFAOYSA-N	319.390	1.380	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(F)c(F)c1F)[C@@H]1CCC(=O)N1	860315570	KIPXHTJHHQBIKS-XPUUQOCRSA-N	301.268	1.462	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)c1cc2c(s1)CCC2)N(C)C	768931120	WGFCGMHQAZYOJV-ZDUSSCGKSA-N	309.435	1.584	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1	1116758537	UUPYGDPCPRJHOV-CHWSQXEVSA-N	319.361	1.216	50	20	DDGD	
CCc1cccnc1C(=O)NNC(=O)COc1ccc(F)cc1	766553560	QYBXWOYMWHBWAB-UHFFFAOYSA-N	317.320	1.623	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(N(C)C)ccn2)nc1	760786208	RFYGBWKHGIWCNU-UHFFFAOYSA-N	315.333	1.086	50	20	DDGD	
CN1CCC(CC(=O)NNC(=S)Nc2ccccn2)CC1	874955517	AAPOCUMKGJTDFY-UHFFFAOYSA-N	307.423	1.131	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2cc(C)n(C)n2)c(C)c1	873758848	XXUZELOFWOHBDT-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)Cc2ccco2)o1	765098001	KEPJSXHOIYKROI-UHFFFAOYSA-N	319.361	1.718	50	20	DDGD	
COCc1cccc(CNC(=O)NN=c2cc[nH]c(C)c2)c1	875070198	XHUWQOYDDPECMC-UHFFFAOYSA-N	300.362	1.785	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H]1Cc2ccccc2O1	777829173	UDHXXNBDPASIOU-HNNXBMFYSA-N	312.325	1.920	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1c[nH]cc1C1CC1	879707445	PNPXMXUDYDCMBP-UHFFFAOYSA-N	309.366	1.442	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)OC[C@@H](C)CBr	770344308	SFPDANGPWMRDPL-VIFPVBQESA-N	315.229	1.631	50	20	DDGD	
Cc1c(C(=O)NNc2ncncc2F)cnn1C1CCOCC1	1117766616	QIDGMPAQDXTBBA-UHFFFAOYSA-N	320.328	1.229	50	20	DDGD	
N#Cc1cc(C(=O)NNc2ccc(Br)nc2)c[nH]1	779199828	MWRBFSBSHBRELC-UHFFFAOYSA-N	306.123	1.801	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)c1nnc2ccccc2n1	773706779	LVOPPFLLYNZWPX-UHFFFAOYSA-N	311.276	1.239	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=S)Nc1cccc(F)c1F	1116875682	JZXKXAYTZNBYPM-UHFFFAOYSA-N	323.328	1.805	50	20	DDGD	
O=C(O)COCCNC(=O)NNc1cc(Cl)ccc1Cl	874408976	QETOWBXBPUCUJY-UHFFFAOYSA-N	322.148	1.721	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)C(=O)C(C)(C)C)cc1	874951969	VMLXSJCLNQCXRT-UHFFFAOYSA-N	322.434	1.685	50	20	DDGD	
O=C(NCC(F)(F)F)NN=Cc1ccc([N+](=O)[O-])cc1F	777882750	HMAZNAOENPLVIT-UHFFFAOYSA-N	308.191	1.929	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H](F)Cc1ccccc1)C1CC1	777992416	QZGASPWCOGSOOC-GWCFXTLKSA-N	309.410	1.861	50	20	DDGD	
C[C@@H]1CC[C@@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)C1	776414796	MNOISFBXSGYMJJ-DGCLKSJQSA-N	304.346	1.427	50	20	DDGD	
CN(C(=O)c1cccc(CCl)c1)[C@@H]1CCN2CCO[C@H]1C2	1120739454	KOPKHEIVIRBHEQ-CABCVRRESA-N	308.809	1.971	50	20	DDGD	
CC(CCCC(F)(F)F)=NNC(=O)[C@H](C)NS(C)(=O)=O	774385098	KJKOTBSYTJSKTF-QMMMGPOBSA-N	317.333	1.149	50	20	DDGD	
Cc1ccc(C(=O)NNc2cccc(S(C)(=O)=O)c2)nc1	776532870	IBGCTMHKTXNXDY-UHFFFAOYSA-N	305.359	1.550	50	20	DDGD	
CN(CCNS(=O)(=O)CCCCl)Cc1ccc(F)cc1	881965768	ZXMTVQYPHDKNCF-UHFFFAOYSA-N	322.833	1.806	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccc(OC(F)(F)F)cc2)n1	786426937	LRMCUEKJLBFDFA-UHFFFAOYSA-N	301.228	1.471	50	20	DDGD	
COc1ccc2c(c1)CN(S(=O)(=O)CCCCl)CCO2	882238150	UHCIQBFCFKYEDQ-UHFFFAOYSA-N	319.810	1.848	50	20	DDGD	
CCNC(=O)CC(=O)NNc1ccc(F)cc1Br	780992100	TUKDVUWMOHWQST-UHFFFAOYSA-N	318.146	1.558	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(C(=O)OCC)c(C)n1	887140836	UJKMLTKTLHJTJG-UHFFFAOYSA-N	317.345	1.131	50	20	DDGD	
CCOCC(=O)NN=C1CCOc2c1cc(F)cc2[N+](=O)[O-]	783841176	GTORRJMQRZIGRS-UHFFFAOYSA-N	311.269	1.373	50	20	DDGD	
CC[C@H]1CN(S(=O)(=O)CCCCl)[C@@H](CC)CN1C(C)=O	881959325	KAWASYIGMXSPSU-STQMWFEESA-N	324.874	1.666	50	20	DDGD	
CC1(NC(=S)NNC(=O)COc2ccccc2[N+](=O)[O-])CC1	789174188	SMVGIIYFWBFKNK-UHFFFAOYSA-N	324.362	1.021	50	20	DDGD	
Cc1ocnc1C(=O)Nc1cccc(NC(=O)NN(C)C)c1	788255950	ZYXPHWVCCVTVFD-UHFFFAOYSA-N	303.322	1.833	50	20	DDGD	
N[C@H]1C[C@@H](CNC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)C1	892565520	TVTNUEJDKRYDCZ-NMZJUSOJSA-N	320.437	1.271	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](O)c2ccccc2)c1	781037277	JOUDMYXIONSRKU-AWEZNQCLSA-N	300.314	1.650	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc2cncn2c1	786128304	AWRIAKUXLGBNMV-UHFFFAOYSA-N	310.313	1.418	50	20	DDGD	
COCCCNC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1ccccc1	785376664	PDMWXXSBUADHPI-LKKYZFDUSA-N	316.357	1.678	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2ncc(F)cn2)c2ccccc21	786468158	RCUFWGAJMWVHOY-GFCCVEGCSA-N	300.293	1.819	50	20	DDGD	
COC(=O)C1(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)CC1	798249297	GVEXOVQRXQGJNJ-UHFFFAOYSA-N	320.349	1.176	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2ccc(S(N)(=O)=O)cc2)c1	798335682	RDVQDMQBDBTCAT-UHFFFAOYSA-N	323.349	1.538	50	20	DDGD	
CC(C)Cn1ccc(C(=O)NNC(=O)c2cccc(F)n2)n1	893050009	GHXXCMJZYLGWKI-UHFFFAOYSA-N	305.313	1.148	50	20	DDGD	
CC[C@H]1CCc2nc(NC(=O)NNC(=O)COC)sc2C1	799431782	CEJMQVKZKCEKKL-QMMMGPOBSA-N	312.395	1.457	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C(=O)c1ccc(Cl)cc1	899995174	KRRMWNDKNBRQSD-UHFFFAOYSA-N	313.810	1.817	50	20	DDGD	
COc1cc(NNC(=O)[C@@]2(O)CCSC2)ccc1Cl	790175476	JJLWMFMHMZFQJW-GFCCVEGCSA-N	302.783	1.660	50	20	DDGD	
O=C(CCc1cncnc1)NNc1cccc(F)c1[N+](=O)[O-]	794457379	HLVRFVAQYDMACO-UHFFFAOYSA-N	305.269	1.600	50	20	DDGD	
CC(C)[C@H]1CCCC(=NNC(=O)[C@H]2CCS(=O)(=O)C2)C1	794487909	FVWCFHRQVMVDMM-RYUDHWBXSA-N	300.424	1.740	50	20	DDGD	
CO[C@H]1CCN(CC(=O)NNC(=O)c2cccc(C)c2)[C@@H](C)C1	799343746	MYOKDTQETDUQPE-ZFWWWQNUSA-N	319.405	1.255	50	20	DDGD	
Cc1noc(C2CCC(=NNC(=O)c3c[nH]nc3C)CC2)n1	797402988	VSFRVXOEVXWPJV-UHFFFAOYSA-N	302.338	1.853	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCC[C@H](c2ccnn2C)C1	790294499	RPPKYUSAQIGJOF-OLZOCXBDSA-N	322.409	1.601	50	20	DDGD	
CO[C@H](C(=O)NNc1oc(C(C)C)nc1C#N)c1cnn(C)c1	798938492	YBGVUBPMQKPMGV-NSHDSACASA-N	318.337	1.234	50	20	DDGD	
CO[C@H](C(=O)NNc1cc(F)c(F)cc1F)c1cnn(C)c1	798983168	XGIOUHAISMPMQO-LBPRGKRZSA-N	314.267	1.668	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)c1occ2c1CCC2	794760121	NYGARCBACGUPOK-UHFFFAOYSA-N	318.304	1.747	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1	792319613	DVXGKANGLBIWLT-GXTWGEPZSA-N	323.368	1.829	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1ccc2c(c1)C(=O)NC2=O	790597122	RUUQACXHGNSPLY-UHFFFAOYSA-N	311.301	1.422	50	20	DDGD	
O=C(CNc1ccccc1F)NNC(=S)NCC1CCC1	1318378209	DKYUXKONNNXFQO-UHFFFAOYSA-N	310.398	1.533	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC2C[C@H](C)O[C@@H](C)C2)cc1	1319660904	ZHSUYJXQSUBBLX-QWRGUYRKSA-N	321.377	1.595	50	20	DDGD	
Cn1ccc(NNC(=O)c2ccc(OC[C@H]3CCCO3)cc2)n1	1326696765	CIYHUQZJZCYJFQ-CQSZACIVSA-N	316.361	1.735	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)N(C)C[C@H](CBr)C1CC1	701846747	WTPFLZFQHOKDTQ-ONGXEEELSA-N	312.273	1.772	50	20	DDGD	
CCCN(CC(=O)NNC(=O)C1CC1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C	1322783534	CWHADWVQXVKDJG-YUELXQCFSA-N	323.437	1.069	50	20	DDGD	
Cc1nnsc1C(=O)NNc1nc(-c2ccncc2)no1	1326179432	CZFKYOJMVJFGGN-UHFFFAOYSA-N	303.307	1.048	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)NC(C)C)nc1Cl	1320399460	NVFYHOUBJQLATK-UHFFFAOYSA-N	302.787	1.261	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H](C(C)C)N1CCCCC1	1326564275	YPZMVBDTLREGOR-GFCCVEGCSA-N	300.472	1.401	50	20	DDGD	
O=C(CSCc1cccs1)NNC(=O)[C@@H]1CCCCO1	1325213809	WJKQUDYPZLGIFW-NSHDSACASA-N	314.432	1.698	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccccc1Cl)[C@@H]1CCC(=O)N1	1328756213	FSKDIWRFHYYOHX-KWQFWETISA-N	309.753	1.016	50	20	DDGD	
CC(=O)N[C@H](CC(=O)NNc1ccn(C)n1)c1ccc(C)cc1	1321105497	QJNIYAYXLAILEF-CQSZACIVSA-N	315.377	1.439	50	20	DDGD	
CN(C)CCn1ccc(NC(=O)NNc2ccc(F)c(F)c2)n1	1335886551	WDQIMFHKKCHLSP-UHFFFAOYSA-N	324.335	1.872	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2(Sc3ccccc3)CC2)n[nH]1	1253526189	FMRWCEYONLMXJH-UHFFFAOYSA-N	316.386	1.804	50	20	DDGD	
C[C@]1(CNC(=O)C2(C(=O)O)CC=CC2)C[C@H]1Br	1331344623	NWIJZAPPKMIWDY-LDYMZIIASA-N	302.168	1.697	50	20	DDGD	
COc1ccc(NNC(=O)c2ccn(CC(F)(F)F)n2)nc1	1335903598	IKEABSLKBSKNBX-UHFFFAOYSA-N	315.255	1.606	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1csc(O)n1	1339566216	VRRKNNCRMGPBAP-UHFFFAOYSA-N	313.360	1.009	50	20	DDGD	
CC(C)(C)OC(=O)NC[C@H](O)C(=O)NNc1cccc(F)c1	1335832020	MLYPEQYDRVHFRN-NSHDSACASA-N	313.329	1.154	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccnc(Cc2ccccc2)n1	1337605559	KIKNCDPFQOZHQQ-UHFFFAOYSA-N	301.306	1.460	50	20	DDGD	
Cn1cc(N2CC[C@H](NC(=O)NNc3ccccc3)C2)cn1	1339221618	SNAFKXADHAITKA-ZDUSSCGKSA-N	300.366	1.325	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)c(O)n1	1346629484	DUZDCLDWAKSQKE-UHFFFAOYSA-N	310.313	1.694	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N[C@@H]2C=CCCC2)C[C@@H]1Br	1351174958	MDISIQYYVTUGPU-GBIKHYSHSA-N	315.211	1.501	50	20	DDGD	
CC(=NNC(=O)CC1CC1)c1ccc(-c2nn[nH]n2)c(F)c1	1609060831	HKBRRMCWEWEVCY-UHFFFAOYSA-N	302.313	1.646	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCN1CCC[C@@H](O)[C@H]1C(=O)O	1609669311	GJJYIDMJPGTBBV-NEPJUHHUSA-N	303.475	1.918	50	20	DDGD	
N#C/C(=C/c1cn(CC(=O)O)nn1)C(=O)C1(c2ccccc2)CC1	1608170479	OXRYOZVAVNSHMV-WQLSENKSSA-N	322.324	1.571	50	20	DDGD	
O=C(O)C1CN(C(=O)[C@]2(c3ccccc3)C[C@@H]2Br)C1	1601840314	SIHFXFGGXOEHAW-FZMZJTMJSA-N	324.174	1.635	50	20	DDGD	
O=C(C[C@@H]1CSCCS1)NNc1ncccc1C(=O)O	1605670283	HQTQZSQQVWGHKS-MRVPVSSYSA-N	313.404	1.462	50	20	DDGD	
N[C@H]1CCC[C@H](NC(=O)NNc2ccc(F)c(C(=O)O)c2)C1	1601179043	FAMDEWSHOGTADE-IUCAKERBSA-N	310.329	1.420	50	20	DDGD	
O=C(O)c1ccnc(C(=O)NNc2nc3cccnc3s2)c1	1602482405	XSGWIWPXOOKAGC-UHFFFAOYSA-N	315.314	1.541	50	20	DDGD	
Cc1[nH]nc(Cl)c1C(=O)NNc1ccc(F)c(C(=O)O)c1	1600670738	KVFTWNMUBPOHHF-UHFFFAOYSA-N	312.688	1.966	50	20	DDGD	
CN(C)c1cc(C(=O)O)ccc1NC(=O)NNC(=O)C1CC1	1610104871	MMHGOEFFCKSQPJ-UHFFFAOYSA-N	306.322	1.014	50	20	DDGD	
CSc1cccc(NNC(=O)[C@H]2CN3CCN2C[C@H]3C)c1	1548673002	XLXQFBSISWUKPD-BXUZGUMPSA-N	306.435	1.240	50	20	DDGD	
Cn1nccc1CCC(=O)NNc1ccc(F)c(C(=O)O)c1	1610616447	RPBVUOZUUCYGOQ-UHFFFAOYSA-N	306.297	1.333	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@H]2C=NNC(=O)c2cccnn2)cn1	1552928182	YUZCQZONBRJZOE-SMDDNHRTSA-N	314.349	1.186	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H]1C(=O)NNc1cc(Cl)nc2ncccc12	1574769197	LMHJOHNNPMYNDW-HTQZYQBOSA-N	320.736	1.837	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2=CC[C@H](N)C2)c2ccccc2n1	1579565686	TZVUJTUWFNKTHR-LBPRGKRZSA-N	310.357	1.352	50	20	DDGD	
O=C(O)[C@H]1CCCN1S(=O)(=O)c1ccc(CCl)cc1	1574784750	ZVCBRXUCXCWOKZ-LLVKDONJSA-N	303.767	1.663	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc2c(=O)[nH]ccc2c1)c1cnn[nH]1	1575645059	CLUKIFCRRFRNQK-QMMMGPOBSA-N	313.321	1.034	50	20	DDGD	
CC(CC(F)(F)F)=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1589798601	JMIBQCOPUGUIGX-UHFFFAOYSA-N	312.255	1.925	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)c1ccc(F)c2occc12	1580736295	RLFSFWRCPVQNDJ-UHFFFAOYSA-N	305.309	1.333	50	20	DDGD	
CC(F)(F)C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1589906075	UFNFZZGKIGZEGP-UHFFFAOYSA-N	302.672	1.618	50	20	DDGD	
O=C(CCNC1CC1)NNc1nc2ccccc2[nH]c1=S	1580538067	PZXQUKPPNOLKBO-UHFFFAOYSA-N	303.391	1.878	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1	1842808593	NHKUKSGGKRMWQG-LLVKDONJSA-N	309.797	1.511	50	20	DDGD	
CSc1ccc(NNC(=O)Cn2cc(C(=O)O)cn2)cc1	1599820551	AVFYFISWLQODSS-UHFFFAOYSA-N	306.347	1.447	50	20	DDGD	
COc1ccc(NC(=O)NN=Cc2ccc(C(=O)O)n2C)cc1	1599594715	ZIAYPBRVQLEOAX-UHFFFAOYSA-N	316.317	1.888	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@H](O)c1ccccc1	1599376785	CPUMNYALVCROFI-CQSZACIVSA-N	316.313	1.570	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)CCCC(=O)O)cc1	1598325051	DAJAKDCATXHZMR-UHFFFAOYSA-N	324.406	1.325	50	20	DDGD	
COC(=O)C12CC(C(=O)NNc3ccc(C)c(C(=O)O)c3)(C1)C2	1598727096	KHUSBWILHZAXPZ-UHFFFAOYSA-N	318.329	1.480	50	20	DDGD	
O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NNc1ccc(-c2nn[nH]n2)cn1	1592816894	SUDGLUJAWHXMJK-NHCYSSNCSA-N	313.365	1.531	50	20	DDGD	
CC1(C)CC(=NNC(=O)COc2ccccc2-c2nn[nH]n2)C1	1590081498	ZTQQNZQXFIDUAG-UHFFFAOYSA-N	314.349	1.538	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=C(C)c1cc(C(=O)O)ccc1O	1776102518	RPQSQQOGSKRRKN-WCQYABFASA-N	306.318	1.356	50	20	DDGD	
O=C(Cc1ccccn1)NN=Cc1c[nH]c2c(C(=O)O)cccc12	1776043545	WGKKOWKQLWVTJX-UHFFFAOYSA-N	322.324	1.954	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)c3cnccn3)cc2C1	12841169	OSDOSXSONKUYCT-SECBINFHSA-N	316.386	1.738	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)c2ccccc2)nc2ccccc21	15926344	JQHFJGUTANFVRM-UHFFFAOYSA-N	308.341	1.577	50	20	DDGD	
COc1ccc2c(c1)/C(=N/NC(=O)Cc1cc(C)n[nH]1)C(O)=N2	17692100	BOMOTAYPJBYBAD-UHFFFAOYSA-N	313.317	1.391	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=S)Nc1ccccn1	161803337	ZTQRSKJBWVEEOW-UHFFFAOYSA-N	316.386	1.651	50	20	DDGD	
O=C(CNC(=O)NCc1ccco1)NNc1ccc(F)cc1F	158144841	GDHVRKSQTWIENJ-UHFFFAOYSA-N	324.287	1.500	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@@H]2C=CCCC2)c1	153023352	UMHUSJFFPUXHNO-CYBMUJFWSA-N	303.362	1.813	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CC23CCOCC3)c([N+](=O)[O-])c1	155359900	IWKXVOVQKXAMIM-NSHDSACASA-N	321.333	1.863	50	20	DDGD	
C[C@H](c1ccccc1)[C@](C)(O)C(=O)NNc1ncc(F)cn1	157440647	CYXBAPJTCULUQA-BMIGLBTASA-N	304.325	1.614	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN([C@@H](C)c2cccnc2)CC1	159553608	RVMSQBKIVSAFKD-DSDLTIFZSA-N	314.389	1.731	50	20	DDGD	
O=S(=O)(NC[C@@H]1CC[C@@H](O)C1)c1ccc(CCl)cc1	311527721	GHQOEYXEUBOYAL-VXGBXAGGSA-N	303.811	1.865	50	20	DDGD	
CC(C)[C@@H](CO)CNS(=O)(=O)c1ccc(CCl)cc1	394017421	SJDLNJRSOITPDU-GFCCVEGCSA-N	305.827	1.968	50	20	DDGD	
Cc1cccc(C(=O)OCC(=O)NNC(=O)c2cccs2)c1	4846391	MJGOXEDAFCYUHQ-UHFFFAOYSA-N	318.354	1.675	50	20	DDGD	
N#C/C(=C\c1cccc2c1OCCO2)C(=O)NC[C@@H]1CCCO1	54801956	CLSMIPRISZPIDC-SSUFTNFISA-N	314.341	1.660	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cccc3ncccc23)cnn1C	106811935	LKAAORMEIKPYOW-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
O=C(NNC(=O)c1cccc(C(F)F)c1)C(=O)N1CCCC1	171482451	VDYIHFIJYUQTJP-UHFFFAOYSA-N	311.288	1.008	50	20	DDGD	
CN(C[C@H]1CCCOC1)C(=O)NNC(=O)c1cccc(C#N)c1	107745756	VYSNTBYLUODSBI-CYBMUJFWSA-N	316.361	1.271	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1ccc(C)c(Br)c1	174650889	MLCWGNLUXSLVLQ-UHFFFAOYSA-N	323.168	1.307	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Cn1cc(C)c2ccccc21	110761984	YLWDZPYRYJYUGJ-UHFFFAOYSA-N	311.345	1.442	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C1CCN(c2ncccn2)CC1	103420551	MPPBEGHTPHLPEC-UHFFFAOYSA-N	319.409	1.277	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cc(-c2ccccc2)[nH]n1	103456876	POWGGXRZPXIGKN-UHFFFAOYSA-N	321.340	1.475	50	20	DDGD	
O=C1NC(=O)c2ccccc2/C1=C\c1cnn(CCCl)c1	171540120	POUPPQVOFPHBMP-NTUHNPAUSA-N	301.733	1.933	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)c1cccc(Cl)c1)C1CC1	178735913	XHINZLVGCPSICE-LBPRGKRZSA-N	311.769	1.709	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNc1ccccc1[N+](=O)[O-]	67778178	GDFSTTOQDPMZBX-CYBMUJFWSA-N	320.349	1.829	50	20	DDGD	
N#Cc1cccc(NNC(=O)C(=O)Nc2cccnc2Cl)c1	119465447	XFKDBSHSTOQESD-UHFFFAOYSA-N	315.720	1.688	50	20	DDGD	
C[C@H](N)CCNS(=O)(=O)c1ccc(CCCCl)cc1	178909466	RJYNUVLRAPZVAU-NSHDSACASA-N	304.843	1.874	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@H]1CCN(C)C(=O)C1)c1ccccc1	110337181	XRFAAGOOIPYPHI-UONOGXRCSA-N	317.389	1.196	50	20	DDGD	
CCS(=O)(=O)c1ccc(C(=O)NNc2cc(C)ncn2)cc1	172278787	WDOIDXRQNDSHJL-UHFFFAOYSA-N	320.374	1.336	50	20	DDGD	
CCn1cc(NC(=O)NNC(=O)c2ccc(C)o2)ccc1=O	176858677	WZLBLQQWDZBMHQ-UHFFFAOYSA-N	304.306	1.236	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(Br)cn2)o1	175840643	AECXVCCCBISKIH-UHFFFAOYSA-N	324.134	1.820	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)c1cccc(N(C)C)c1	173104684	RKJISWAJBRZLCN-UHFFFAOYSA-N	305.378	1.496	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)CN(C)C(C)C)o1	64049687	ZQODZKALSZAMTE-UHFFFAOYSA-N	324.425	1.223	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(C)o2)cc([N+](=O)[O-])c1	175829204	DQJGYSCFOFSSEP-UHFFFAOYSA-N	303.274	1.879	50	20	DDGD	
COCC[C@](C)(O)CNC(=O)c1c(C)nn(CCCl)c1C	173468578	PARQRFAMPZRWPN-AWEZNQCLSA-N	317.817	1.256	50	20	DDGD	
CC(=O)NNC(=O)c1cccnc1SCc1cc(C)on1	302611313	OWHXKGIKCFJERT-UHFFFAOYSA-N	306.347	1.451	50	20	DDGD	
O=C(NCC1(c2cccc(F)c2)CC1)NNC(=O)c1ccc[nH]1	120931093	MQDNLPOPADWEHE-UHFFFAOYSA-N	316.336	1.830	50	20	DDGD	
CN(C)[C@H]1CCC[C@@H](NC(=O)NNc2nc3ccccn3n2)C1	189463164	OTDIDAKMDRDKIL-NEPJUHHUSA-N	317.397	1.228	50	20	DDGD	
CCS(=O)(=O)C[C@@H](C)NC(=O)NNc1ccccc1Cl	72684451	MGFFZAKMJIVGDW-SECBINFHSA-N	319.814	1.789	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1cc(F)c(F)cc1F	181413142	YZYCKHQYRQGDIR-UHFFFAOYSA-N	310.235	1.581	50	20	DDGD	
Cc1noc(C)c1C(=O)NNC(=O)COCc1ccccc1	72689525	DCOYPYLTCABLJZ-UHFFFAOYSA-N	303.318	1.269	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cccc(F)n1	124458110	VXHSLSCLOUCIQL-UHFFFAOYSA-N	312.304	1.706	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	124670139	RSTIZYFRXZELDA-MRVPVSSYSA-N	322.752	1.344	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2cccs2)nc1C	182730482	GRVADNKOPSERCG-UHFFFAOYSA-N	306.347	1.780	50	20	DDGD	
COCc1nc(C)c(C(=O)NNC(=O)CC2CCCC2)s1	120442586	RWXJNWNKTUHJRX-UHFFFAOYSA-N	311.407	1.939	50	20	DDGD	
CCc1ncsc1C(=O)NNc1nc2ccccc2c(=O)[nH]1	124110766	XYAXTZUBYNRKAC-UHFFFAOYSA-N	315.358	1.699	50	20	DDGD	
CCNC(=O)CN1CCN(C(=O)c2cccc(CCl)c2)CC1	314470534	NFVOWFSGHDEDAW-UHFFFAOYSA-N	323.824	1.319	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)c2ccc(C)s2)c(C)o1	182787101	NVLCIIMLXMVFJC-UHFFFAOYSA-N	314.388	1.890	50	20	DDGD	
CO[C@@H](C)C(=O)NNC(=O)c1ccc(F)cc1Br	48736437	ATLGNZVXNDXCCB-LURJTMIESA-N	319.130	1.384	50	20	DDGD	
CC[C@H]1C[C@H](C(=O)NNC(=O)CNc2ccccc2)CCO1	182943046	SBPUBUVHLLWYFX-OCCSQVGLSA-N	305.378	1.451	50	20	DDGD	
C[C@H](NC(N)=O)C(=O)NNc1ccc(OC(F)(F)F)cc1	134257442	XKKVPPLAZJNYOS-LURJTMIESA-N	306.244	1.085	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)N2CCc3c(F)cccc32)c1	190044241	ZQCBAGXHYPHIEF-UHFFFAOYSA-N	314.320	1.562	50	20	DDGD	
CSCCCCC(=O)NNc1nc2ccccc2c(=O)[nH]1	137183987	QZKYPOHPCDPEIC-UHFFFAOYSA-N	306.391	1.900	50	20	DDGD	
CCCc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1	132181003	VTIGQIWEFXCUFL-UHFFFAOYSA-N	303.362	1.023	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)[nH]1	133133066	GVIBTFRJWNRYSW-UHFFFAOYSA-N	307.313	1.371	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNc1nc2ccccn2n1	191924154	HIXHPLUIDJTQRP-VIFPVBQESA-N	313.365	1.706	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNc1nc2ccccn2n1	191929779	MEOFQLUSFHNDBA-UHFFFAOYSA-N	314.349	1.528	50	20	DDGD	
COc1csc(C(=O)NNC(=O)CCc2ccccc2O)c1	80093667	GUFJMTSTICBJKG-UHFFFAOYSA-N	320.370	1.856	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)Nc1ccn(C)n1	193030210	KJLZVUUYIJUXBZ-UHFFFAOYSA-N	323.740	1.549	50	20	DDGD	
CC1=NO[C@@](C)(C(=O)N(C)NC(=O)OCc2ccccc2)C1	1120756191	VYGAQEUFWPQKBR-OAHLLOKOSA-N	305.334	1.841	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1cccc2c1OCCO2	195207397	APKSORVDSKXKOJ-UHFFFAOYSA-N	304.346	1.799	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)C(=O)Nc2cnns2)cc1	192069146	YEICMFNDHGLKSR-UHFFFAOYSA-N	319.390	1.917	50	20	DDGD	
Cc1ncc(CO)c(C=NNC(=O)c2ccccc2F)c1O	254752944	RTNSDLFPRWZWDN-UHFFFAOYSA-N	303.293	1.491	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)CC1CCOCC1	265284717	KMYAJAXDRXELSP-UHFFFAOYSA-N	322.361	1.038	50	20	DDGD	
CCC(CC)n1ccc(C(=O)NNc2nccn(C)c2=O)n1	269551376	UEBCSRVKFFHWKB-UHFFFAOYSA-N	304.354	1.095	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCCC(C)(C)CO	267920026	IPMSQCSYEQWDHP-UHFFFAOYSA-N	323.393	1.438	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc(N2CCOC2=O)cc1	264010695	FSEQTAWCAFIAAG-UHFFFAOYSA-N	319.361	1.840	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc(Cn3cccn3)on2)n1	367774000	XGVRUGGUQNAEKT-UHFFFAOYSA-N	313.321	1.083	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1C[C@]12CCOC2	368623547	IZLJYQDUXAFIIG-WNMQOVRZSA-N	322.336	1.167	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H]1CCCCN1C(=O)C(C)C	276667330	COEHEPSTWKHGAB-ZDUSSCGKSA-N	304.394	1.870	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@H]1CC12CCOCC2	365827260	IIMNZPYQEKBVJK-GFCCVEGCSA-N	306.337	1.332	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2cc(C)on2)nc1C	272202733	PXBCWHDNPDDUKN-UHFFFAOYSA-N	305.294	1.015	50	20	DDGD	
O=C(NNC(=O)C1SCCS1)c1ccc(Cl)nc1	270542754	XXHPFSXZDFGJIK-UHFFFAOYSA-N	303.796	1.302	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CCC2	274213306	IRQKOGJTPZLFQH-UHFFFAOYSA-N	319.361	1.670	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	278540722	FXEACAUYBURZRH-ZUZCIYMTSA-N	310.325	1.068	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NO[C@H]1CCCCO1	275097210	JELWTBGOPUKHNP-LBPRGKRZSA-N	308.338	1.789	50	20	DDGD	
CSCC[C@H](O)C(=O)NNC(=O)c1ccc2ccccc2n1	276535737	DLUUQVYWXAPNDP-ZDUSSCGKSA-N	319.386	1.110	50	20	DDGD	
COC[C@@H](CO)NS(=O)(=O)c1ccc(CCCCl)cc1	280131915	DMNPLDIMLKZHGS-GFCCVEGCSA-N	321.826	1.144	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N(C)[C@@H]2CCC[C@H]2O)cc(C#N)n1C	286449675	RLTVYZZTMZZBBG-VFGVELGVSA-N	312.373	1.484	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)c2c[nH]c3ccccc23)O1	282827452	ZCTRMIDTQLXTQI-RULNRJAQSA-N	301.346	1.742	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(N2CCCCCC2)nc1	286302148	JVVRMLWBCRFTGB-UHFFFAOYSA-N	306.366	1.805	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)N[C@@H](C2CC2)C(F)(F)F)n1	288936659	WALCHZASSQAWFM-ZETCQYMHSA-N	324.694	1.679	50	20	DDGD	
C[C@H](CNC(=O)OC(C)(C)C)C(=O)NNc1cccc(F)n1	286362152	DLIVHICOGWFBQS-SECBINFHSA-N	312.345	1.825	50	20	DDGD	
CC(C)(C)[C@@H](NC(N)=O)C(=O)NNc1ccccc1[N+](=O)[O-]	282717163	QBGKJGUUQSVPMJ-JTQLQIEISA-N	309.326	1.121	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)CSc1ccccc1O	280408872	IYAPBDLNYFYOMQ-CQSZACIVSA-N	312.391	1.447	50	20	DDGD	
CCOCC1(C(=O)NNc2nc3ccccc3c(=O)n2C)CC1	282554718	ZHOGZJYXYARIAO-UHFFFAOYSA-N	316.361	1.193	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCCN(C)CCOC)cc1	297063840	KYJQYXDYNZVASG-UHFFFAOYSA-N	324.425	1.680	50	20	DDGD	
C[C@@H]1CCCN(CC(=O)NNC(=O)c2ccc(F)cc2)[C@@H]1C	299262535	LKNHZPFATLKOHS-VXGBXAGGSA-N	307.369	1.707	50	20	DDGD	
CC1CCN(C[C@H](C)C(=O)NN=Cc2cn(C(C)C)nn2)CC1	807957435	MUHJFXVFNXWFDQ-AWEZNQCLSA-N	320.441	1.677	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@@H]1CCc2ccccc2OC1	801067357	UPGMUCXPISSYAG-CYBMUJFWSA-N	303.362	1.511	50	20	DDGD	
CC(C)Oc1ncccc1NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	292800934	YMRQUDGFGBNCKM-JQWIXIFHSA-N	322.365	1.589	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2cc(C)ccc2C)ccn1	806997022	ADMGBXISUXMXSH-UHFFFAOYSA-N	314.345	1.789	50	20	DDGD	
CC(C)Oc1cncc(C(=O)NNC(=O)N=c2cc[nH]cc2)c1	802024284	MMAMZHUKLRRINE-UHFFFAOYSA-N	315.333	1.152	50	20	DDGD	
Cc1nnc(COCC(=O)NNc2nc3ccccc3[nH]2)s1	807173688	MIAMWJAOTAAMGZ-UHFFFAOYSA-N	318.362	1.383	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cnc(S)[nH]1	800688103	OINLTYGOUPPOLN-UHFFFAOYSA-N	315.358	1.183	50	20	DDGD	
CCCn1nc(C)c(C(=O)NNC(=O)N=c2cc[nH]cc2)c1C	802024822	WBTDRASUZRCDNB-UHFFFAOYSA-N	316.365	1.193	50	20	DDGD	
COCCCn1cc(C)c(NS(=O)(=O)CCCCCl)n1	296765717	QZHBGHFCNMHGCE-UHFFFAOYSA-N	323.846	1.989	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1cncc(Cl)n1	807507674	RHCYYKNZTSHHGE-UHFFFAOYSA-N	315.720	1.728	50	20	DDGD	
COCCOc1cccc(/C=C/C(=O)NN(C)CCOC)c1	296921282	ANEVZWWMGYFVMA-BQYQJAHWSA-N	308.378	1.334	50	20	DDGD	
COC(=O)COc1cccc(C(=O)NNc2cccc(F)n2)c1	804767554	ADVIUIWHYKHIKH-UHFFFAOYSA-N	319.292	1.529	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1ccc(C#N)c(F)c1	291314582	OHRQRDWGFPYQJW-UHFFFAOYSA-N	322.296	1.192	50	20	DDGD	
CC(C)(O)CCC(=O)NNC(=O)Nc1cc(F)cc(F)c1	801999813	KZHORROFPRNOEY-UHFFFAOYSA-N	301.293	1.669	50	20	DDGD	
O=C(CN1CCCC1=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	298756206	AJODAQXPIKHYCU-UHFFFAOYSA-N	312.713	1.314	50	20	DDGD	
CCCCSCC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	801105816	JOHGAMXHBIFOQT-UHFFFAOYSA-N	323.418	1.614	50	20	DDGD	
O=S(=O)(CCl)N1CC2(CN(Cc3ccccc3)C2)C1	706222171	IGTTWQITBOVCRB-UHFFFAOYSA-N	300.811	1.330	50	20	DDGD	
CSSCCNC(=O)N1CCCC[C@@H]1C1OCCO1	807227054	XCCTUKQWJZCBLV-SNVBAGLBSA-N	306.453	1.935	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)c1ccccc1OC)OC	293622007	JSYWIZMUYXHUAL-UHFFFAOYSA-N	323.393	1.844	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1ccc([N+](=O)[O-])cc1C	805386318	AGALSWUGXQQAOT-UHFFFAOYSA-N	308.338	1.653	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1coc(C2CCOCC2)n1	801622919	SNKVDSJQUCMPER-UHFFFAOYSA-N	323.740	1.769	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C2CC2)cc1	292567701	DPGYVCKMMKYPET-UHFFFAOYSA-N	317.389	1.907	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@@H](C)n2cccn2)c(F)c1	819559632	NFGAFWQHLOEZGG-SNVBAGLBSA-N	320.324	1.903	50	20	DDGD	
CC(=NNC(=O)c1ccnnc1)c1cnn(C(C)(C)C)c1C	817341006	YAAOHNHDSWAOJF-UHFFFAOYSA-N	300.366	1.891	50	20	DDGD	
C=C(CBr)COC(=O)c1c[nH]c(C(=O)OC)c1	814531139	DNXCLAGNAXSNOQ-UHFFFAOYSA-N	302.124	1.909	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)COc2ccccc2O)c1C	814952102	KXYDANFORSMVIN-UHFFFAOYSA-N	316.361	1.755	50	20	DDGD	
O=C(COc1cc(F)cc(F)c1)NNc1ncccc1[N+](=O)[O-]	810527882	LTQNXNKZZYDBTB-UHFFFAOYSA-N	324.243	1.790	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)NNC(=O)CC1CC1	819131401	DXVJTTUDTBWGQJ-PJXYFTJBSA-N	323.393	1.047	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1cnn(C)c1Cl	814764236	ULCPSPVCWOGWOZ-NSHDSACASA-N	311.817	1.646	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NN=Cc1cn(C)nc1O	814218848	ZWOSWJNSJFGMMA-UHFFFAOYSA-N	308.725	1.552	50	20	DDGD	
COC(=O)[C@H]1CCC[C@@H](C(=O)NN(C)C(=O)OC(C)(C)C)C1	496949910	NMOAZQXEHNHIRF-MNOVXSKESA-N	314.382	1.864	50	20	DDGD	
O=C(CCC(=O)c1c(F)cccc1F)NNC(=O)C1CCC1	827216481	XLDYVHAWKCVBEW-UHFFFAOYSA-N	310.300	1.875	50	20	DDGD	
CCOc1ccc(OC(C)(C)C(=O)NN(CC)CCO)cc1	823841877	MNCZQYVWOPKMOJ-UHFFFAOYSA-N	310.394	1.588	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCC(C)(C)c1ccccc1	825627955	SIEITWFBEIKFIX-GXTWGEPZSA-N	319.405	1.720	50	20	DDGD	
CN(CC(=O)NNC(=O)C(C)(C)C)c1cccc2cccnc12	829403578	LRLXYGSKHWFUAH-UHFFFAOYSA-N	314.389	1.865	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccc([N+](=O)[O-])s1	727866257	BRINGRWNXIJXID-UHFFFAOYSA-N	314.392	1.565	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(Oc2cccc(F)c2)cn1	823917409	IIAHCKONDKWMNR-NSHDSACASA-N	319.336	1.970	50	20	DDGD	
CC(C)O[C@@H]1CCN(C(=O)NNC(=O)c2cccc(C#N)c2)C1	825906353	CAWWXJGWJZAQGB-CQSZACIVSA-N	316.361	1.412	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1)c1ccc(-c2nn[nH]n2)[nH]1	826447693	RWNDHMPUDUISJQ-UHFFFAOYSA-N	303.713	1.605	50	20	DDGD	
CCCN1CCC[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	825328920	YNLNLPGCBJETBV-CYBMUJFWSA-N	315.381	1.184	50	20	DDGD	
Cc1ccc(C(=O)N[C@@H](C(=O)NN(C)[C@@H](C)CO)C(C)C)cc1	823988711	VWSKVLGIFFTHNU-DZGCQCFKSA-N	321.421	1.093	50	20	DDGD	
CC(C)c1n[nH]c(CNC(=O)[C@@]2(C)C[C@H]2Br)n1	908550415	DSVQQCPUDBOPAR-HQJQHLMTSA-N	301.188	1.718	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2CCN(C(C)(C)C)C2=O)n1	827075724	FTRDYJQMMIOGQB-NSHDSACASA-N	320.397	1.119	50	20	DDGD	
Cc1ccc([C@@H](O)[C@@H](C)NCc2ccc(B(O)O)cc2F)cc1	585047605	DTKHXTMTKRRZOE-PXAZEXFGSA-N	317.169	1.026	50	20	DDGD	
CC(C)N(C)c1ccccc1CNCc1ccccc1B(O)O	585036762	MUORJBJXQMDVIG-UHFFFAOYSA-N	312.222	1.501	50	20	DDGD	
CCC(=O)[C@H]1CCCCN1C(=O)/C(C#N)=C\c1cnn(C)c1	491104273	NHRMZSZAWVMVCA-YLHGKKIISA-N	300.362	1.687	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCCC[C@H]1COC(=O)N(C)CC	490941359	KUXFQAWHPVANCS-FZDNWWAKSA-N	323.393	1.900	50	20	DDGD	
CC[C@H]1CCCCN1CCNC(=O)/C(C#N)=C\c1cnn(C)c1	491162197	QZJLNBALZYATQZ-IZNAZMGOSA-N	315.421	1.708	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(CN2CCCCC2=O)cc1	823846218	FSWNPQCAXDMJQV-UHFFFAOYSA-N	319.405	1.158	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1nc(-c2ccncc2)no1)[C@H](C)N	828217744	MBEPMMJMYRFFCN-GXSJLCMTSA-N	304.354	1.194	50	20	DDGD	
C[C@]1(C(=O)N[C@H]2COc3ccccc3C2=O)C[C@H]1Br	907146885	NPFXWXPOLLPYIZ-PXWWUCIGSA-N	324.174	1.920	50	20	DDGD	
O=C(NNc1ccccc1)c1c(F)cc(-c2nn[nH]n2)cc1F	823281719	WMLLEEBDLLZHKG-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)C[C@H]2CCOC2)cc1	739680565	PKTQRKNDNNKAKU-GFCCVEGCSA-N	308.403	1.661	50	20	DDGD	
CN(CC1(N(C)C)CCC1)C(=O)/C(C#N)=C\c1cnn(C)c1	491158354	FAKRIUQHAOLXAR-ZSOIEALJSA-N	301.394	1.270	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@@H](O)CCc2ccccc2)cn1	491160973	MUPVIKCUMZBCBS-STKCSNAVSA-N	324.384	1.437	50	20	DDGD	
O=C1CC[C@@H]2[C@@H]1[C@@H]2C(=O)NNc1cccc(Br)n1	909545968	RJJZZXQWLOOWKE-LIEZGIJOSA-N	310.151	1.512	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCOCC23CCCC3)cn1	491102990	JYVIVJXCCKLNIT-RIYZIHGNSA-N	300.362	1.499	50	20	DDGD	
Cn1c(NNC(=O)/C=C\c2ccc[nH]2)nc2ccccc2c1=O	491980837	VFCGQUVOSIJWKI-HJWRWDBZSA-N	309.329	1.418	50	20	DDGD	
CCOc1cccc([C@@H](C)NCc2ccc(B(O)O)cc2F)c1	585021155	QAZYNYWEQIOIJG-GFCCVEGCSA-N	317.169	1.755	50	20	DDGD	
C[C@@](O)(CNCc1cccc(B(O)O)c1)c1ccccc1Cl	585037080	UYLBQLYPCWZOEB-MRXNPFEDSA-N	319.597	1.017	50	20	DDGD	
O=C(Cc1cccc(C(=O)O)c1)NNC(=O)NCc1ccco1	833765598	IDBVPTOQGMJGIJ-UHFFFAOYSA-N	317.301	1.051	50	20	DDGD	
CN(C)[C@@H](CNCc1ccc(B(O)O)o1)c1ccccc1Cl	585013963	DQHZCCFBBSCZDT-AWEZNQCLSA-N	322.601	1.005	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CC[C@@H]2CCOC2)cc1F	837050215	GPRPLIHXPVFSIU-SNVBAGLBSA-N	310.325	1.872	50	20	DDGD	
Cn1ccnc1C[C@@H](NS(=O)(=O)CCl)c1ccccc1	830740604	UCXYIIQAJSNVJS-GFCCVEGCSA-N	313.810	1.820	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)[C@@H]1C[C@H]1C(=O)O	739344665	GUUFDZLGTWFXLX-ZIAGYGMSSA-N	312.325	1.250	50	20	DDGD	
C[C@]1(C(=O)NCCC2(O)CCOCC2)C[C@H]1Br	908134041	LVQPMTGEPHGSQQ-KOLCDFICSA-N	306.200	1.208	50	20	DDGD	
O=C(CCC1CCCCC1)NNC(=O)c1ccc(C(=O)O)cn1	739236269	PFTZIPPWVWBJBQ-UHFFFAOYSA-N	319.361	1.901	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cc2c(nc1O)CCCCC2	737819807	UGBPYWNCXDVYFH-UHFFFAOYSA-N	306.366	1.409	50	20	DDGD	
CC(CCc1ccc2c(c1)OCO2)=NNC(=O)c1cnn(C)c1	735411206	QQMKRSDFRRMAGV-UHFFFAOYSA-N	314.345	1.887	50	20	DDGD	
N=[S@](=O)(c1ccc(N2CC[C@H](B(O)O)C2)cc1)C(F)(F)F	900964999	JJWFKICAYZCRGD-PPRQPISWSA-N	322.117	1.665	50	20	DDGD	
O=C(CN1C(=O)CCOc2ccccc21)NCC(Cl)Cl	837651924	VHMVGUHWMNNNDK-UHFFFAOYSA-N	317.172	1.722	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)CNC(=O)c2cccs2)c2nccn21	834952055	KITHCEJNSDGQFZ-SECBINFHSA-N	317.374	1.160	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)c1cc(Cl)c[nH]1	732307120	CXMKNRDYLIPWFP-UHFFFAOYSA-N	309.709	1.214	50	20	DDGD	
C[C@@H]1CCCCN1CCCCNCc1cccc(B(O)O)c1	585016198	TXPBWQSQKNEESY-OAHLLOKOSA-N	304.243	1.111	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)C2CC2)CC1)Nc1cc(F)cc(F)c1	831932900	LRHSLFFSIKMKOM-UHFFFAOYSA-N	323.299	1.877	50	20	DDGD	
COc1ccc([C@H](OC)[C@@H](C)NS(=O)(=O)CCl)cc1	831020909	XCOLQDZGCLDZJE-BXKDBHETSA-N	307.799	1.887	50	20	DDGD	
O=C(CCc1ccco1)NN[C@@H](C(=O)O)c1ccccc1F	833103595	VLHCJUONCXHFJC-CQSZACIVSA-N	306.293	1.798	50	20	DDGD	
CN1CCC[C@H](CN(C)C(=O)[C@@]2(C)C[C@H]2Br)C1	906711168	QIGWRBHMEOSUPD-LOWVWBTDSA-N	303.244	1.960	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNc1oc(C(C)C)nc1C#N	839604270	LYDDJPBPYBCPRI-VIFPVBQESA-N	307.354	1.260	50	20	DDGD	
OB(O)c1ccc(CNCCOCc2cccc(Cl)c2)cc1	585032142	QBKCSMGVQZEJOU-UHFFFAOYSA-N	319.597	1.326	50	20	DDGD	
O=C(NCCC[C@@H]1CCCCO1)NNC(=O)[C@@H]1CCCCO1	836397667	DIKSFSQEDIBEBE-STQMWFEESA-N	313.398	1.235	50	20	DDGD	
CC[C@H](C)[C@H](C)N(C(=O)c1ccc(B(O)O)c(F)c1)C1CC1	584940924	BLEFQINTXPMVMF-QWRGUYRKSA-N	307.174	1.545	50	20	DDGD	
CCCC[C@@H](CC)CNC(=S)NNC(=O)CCN(C)C	730592817	FHLLJOGCPUUGPE-GFCCVEGCSA-N	302.488	1.650	50	20	DDGD	
CC1(C2CC2)CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1	584990640	HBPNXEHAFIGVCH-UHFFFAOYSA-N	305.158	1.158	50	20	DDGD	
CCc1ccc(-c2cc(C(=O)NN(C)[C@@H](C)CO)no2)cc1	911444245	CMCFLWSZFBYNSM-NSHDSACASA-N	303.362	1.861	50	20	DDGD	
C[C@@H](N)C[C@@H](C)NC(=O)NNC(=O)c1cc2ccccc2o1	831212628	SBOVNNZQCJWWPM-NXEZZACHSA-N	304.350	1.503	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)C(=O)NC2CC2)c2c(O)ccc(F)c21	730552020	JUGRPHVQKTVMFN-SSDOTTSWSA-N	305.309	1.137	50	20	DDGD	
CCC(=NNC(=O)CN1CCCC1=O)c1ccc2c(c1)CCO2	915953477	XQWCGMQWKMJUJM-UHFFFAOYSA-N	315.373	1.474	50	20	DDGD	
COC[C@@]1(CO)CCN(/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)C1	832401513	ZUSAUTNEIBXGQU-PJVYJYFWSA-N	317.345	1.790	50	20	DDGD	
Cc1nccc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)n1	917390692	XKPOVWJNRXRGDB-VIFPVBQESA-N	318.308	1.153	50	20	DDGD	
CC(C)(C)C#CC(=O)NNC(=O)CSc1ccccc1O	837507401	UUWKJQPXIDBZQH-UHFFFAOYSA-N	306.387	1.681	50	20	DDGD	
CCc1ncncc1C(=O)NNC(=O)COc1cccc(C)c1	916106846	FXNUTJJEJAMCAF-UHFFFAOYSA-N	314.345	1.187	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H](C)COCCOC)cc1	838491814	MRSPSOWJNFJTSV-GFCCVEGCSA-N	311.382	1.763	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)Cc2cn3ccccc3n2)c2nccn21	834963524	PNHPRBKCXIALEW-LLVKDONJSA-N	308.345	1.559	50	20	DDGD	
O=C(NCCOC1CCCC1)NNC(=O)c1ccccc1O	918085105	PMQUGZJSDFONSX-UHFFFAOYSA-N	307.350	1.295	50	20	DDGD	
COC(=O)[C@@]1(C)CN(C(=O)[C@@]2(C)C[C@@H]2Br)C[C@@H]1C	913429899	FKLSOCPZIPVUPX-VDUILEQBSA-N	318.211	1.818	50	20	DDGD	
C[C@H]1CCCN([C@H](C)CNC(=O)NNC(=O)CC(F)(F)F)C1	918065208	PWCYVYIRPZKSIX-VHSXEESVSA-N	324.347	1.390	50	20	DDGD	
CCC(=NNC(=O)C(=O)Nc1ccc(C)cc1)c1cnn(C)c1	741812253	PGWPOGQRZFETAE-UHFFFAOYSA-N	313.361	1.598	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccc2cccnc12)n1cccn1	747425257	BFDUJHWMXBNEGB-NSHDSACASA-N	309.329	1.454	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)c1cnc(NC2CC2)s1	912826370	RQCYJBVIZZIVJS-UHFFFAOYSA-N	310.770	1.918	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCOc2ccccc21	843651926	PYCLRXRIELFAIR-DMDPSCGWSA-N	304.346	1.125	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cncn1-c1ccccc1	919897093	ZOLVWAZNWAADHC-UHFFFAOYSA-N	322.328	1.156	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Nc2cccc([N+](=O)[O-])c2)n1	747441828	LKSJSAQMNLJXPE-UHFFFAOYSA-N	318.293	1.850	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C1CCN(Cc2ccccc2)C1=O	743440283	HEPPPYZSCNWMBS-UHFFFAOYSA-N	311.345	1.236	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1	910154777	GHZWOEXSLHRVCF-PRHODGIISA-N	321.204	1.761	50	20	DDGD	
C[C@@H]1[C@@H](Cc2ccccc2)CCN1CC(=O)NNC(=O)C1CC1	746676290	JRFWNQWXFALJKB-CZUORRHYSA-N	315.417	1.497	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)COc1cccc(C#N)c1	918690166	LLMIYKXMWDUIIS-UHFFFAOYSA-N	306.391	1.231	50	20	DDGD	
O=C(Cn1nnc2c1CCCC2)NNc1cccc(Cl)n1	848123942	HKQOJLYCSRAHMJ-UHFFFAOYSA-N	306.757	1.349	50	20	DDGD	
Cn1ccnc1[C@H](CC(=O)NNC(=O)CC1CC1)C(F)(F)F	848144417	SYMDUAZCWOISRW-VIFPVBQESA-N	318.299	1.404	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCc2csc(C)n2)n1	746633606	XSGIAZAGSXIKHA-UHFFFAOYSA-N	307.379	1.634	50	20	DDGD	
COc1ccc(CCC(=O)NN=C[C@]2(OC)CCOC2)cc1	841620890	MUNTVOOPEDFIOS-MRXNPFEDSA-N	306.362	1.535	50	20	DDGD	
CNCCCNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	841914296	BKKFNCJEMIASLE-UHFFFAOYSA-N	308.426	1.143	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H]1CCc2cncn2C1	844137551	TWZWJIQSYWMETL-NSHDSACASA-N	300.366	1.502	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=Cc1ccc(Cl)nc1	748785436	HVVYOJUIRQMGBJ-UHFFFAOYSA-N	322.777	1.677	50	20	DDGD	
O=C(NC[C@H]1CCCNC1)NNc1cc(F)c(F)c(F)c1	841927399	OTKDCDUMZRTDLN-QMMMGPOBSA-N	302.300	1.730	50	20	DDGD	
NNC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1	841736153	DEXSFBQYKCPRFM-SECBINFHSA-N	313.199	1.448	50	20	DDGD	
CC(C)(N)CCC(=O)NNc1ncc(Br)cn1	848436406	QFEULRGMRRCKLB-UHFFFAOYSA-N	302.176	1.200	50	20	DDGD	
CC(C)(C(=O)NNc1cccnc1Cl)n1cc([N+](=O)[O-])cn1	840481131	YOYPYOHJKATTNG-UHFFFAOYSA-N	324.728	1.718	50	20	DDGD	
CCC[C@@H](NC(=O)NNC(=O)c1ncccn1)c1ccccc1	841577006	MIQZUNDDYNVSFR-CYBMUJFWSA-N	313.361	1.962	50	20	DDGD	
NC[C@H]1CCCC[C@@H]1NC(=O)NNc1cccc([N+](=O)[O-])c1	841950645	VEBBPDRCQSXYQE-MFKMUULPSA-N	307.354	1.738	50	20	DDGD	
CCc1ncc(C=NNC(=O)[C@H]2COc3ccccc3O2)cn1	841605394	QPXZSWHTZUSUDS-CQSZACIVSA-N	312.329	1.329	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C[C@](C)(O)C2CC2)cc1	846377854	NRZNMTJZHVNQBH-INIZCTEOSA-N	306.362	1.396	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=C1CC[C@@H](C)C[C@H]1n1cncn1	842562109	VDGIKZUWBLVOIR-GFQSEFKGSA-N	305.382	1.536	50	20	DDGD	
COc1ccc(CCCC(=O)NNC(=O)c2ncccn2)cc1	841355139	YMVRTSVXDTTYEJ-UHFFFAOYSA-N	314.345	1.269	50	20	DDGD	
COc1cncc(NC(=O)c2c(C)nn(CCCl)c2C)n1	843720487	KQDBMYXQRQZBHF-UHFFFAOYSA-N	309.757	1.790	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccn1)[C@H]1CCCS1(=O)=O	848159392	YFTWPGXJXXMIOW-MRVPVSSYSA-N	323.296	1.121	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccccc1[S@@](=O)C(F)(F)F	929288967	YGXSDYUSMVWCBT-OAQYLSRUSA-N	322.308	1.731	50	20	DDGD	
CC[S@](=O)CCNC(=O)NNc1ccc(Cl)cc1F	920083843	CPCOFWAJJYZZAG-IBGZPJMESA-N	307.778	1.874	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])[C@@H]1CSCCS1	759294206	JZSOWMQCAPAPEU-QMMMGPOBSA-N	300.365	1.282	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H]1CCCN(CCc2ccccc2)C1	854214324	IOADIRSZCDVTNZ-INIZCTEOSA-N	317.433	1.745	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2cnnn2C)c1	751131948	WQJCPXKMESZPCC-UHFFFAOYSA-N	315.377	1.776	50	20	DDGD	
Cc1nn(CC(=O)NNc2ncc(Cl)cn2)c(C)c1Cl	857355771	MVIIRVRWIFRHJI-UHFFFAOYSA-N	315.164	1.740	50	20	DDGD	
CN(C)c1nccc(NNC(=O)Cc2c[nH]c3ncccc23)n1	757388643	OERACNGPIGJZFH-UHFFFAOYSA-N	311.349	1.105	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2CCCN(C(N)=O)C2)C[C@@H]1Br	857736880	QPRWYINPVZIAPF-HOTUBEGUSA-N	318.215	1.067	50	20	DDGD	
C#CC[C@H](CCOC)NC(=O)NNC(=O)Cc1ccc(F)cc1	859025837	BVSKHNIELSWDRX-CQSZACIVSA-N	321.352	1.127	50	20	DDGD	
CCCCO[C@@H]1C[C@H](NC(=O)NNC(=O)c2cn[nH]c2)C1(C)C	858267769	HPSXJBNPPWZYTO-NWDGAFQWSA-N	323.397	1.338	50	20	DDGD	
CN(C(=O)/C(C#N)=C/c1cnn(C)c1)[C@H](CO)Cc1ccccc1	855136139	MAMFMSVOKXZICO-BDBSJLECSA-N	324.384	1.389	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)C1[C@@H]2CCCC[C@@H]12	855831106	GCJOLKHLZSGAKO-VXGBXAGGSA-N	323.437	1.513	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H](C(C)C)N1Cc2ccccc2C1=O	854163267	OFMFQZWVLZUNJV-ZDUSSCGKSA-N	319.361	1.444	50	20	DDGD	
C[C@@H]1Cc2cc(C(=O)NNC(=O)CC(F)(F)F)ccc2O1	854997580	OSKBYZWSOPGXPE-SSDOTTSWSA-N	302.252	1.723	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C1CCCn2nccc21	853262893	OHSMGANHLYAYBB-UHFFFAOYSA-N	313.361	1.618	50	20	DDGD	
CCC1(CC)[C@H](NC(=O)NNC(=O)c2cn[nH]c2)[C@H](C)[C@H]1OC	858342389	OHJNKLAPAQWCKC-MVWJERBFSA-N	323.397	1.193	50	20	DDGD	
NC1(CNC(=O)NNC(=O)c2ccc(Cl)cc2)CCCC1	851671255	JQRBWZLLQVZUAP-UHFFFAOYSA-N	310.785	1.556	50	20	DDGD	
N#CSCCCNC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21	854359042	CBNBFRCFNMIWAS-GFCCVEGCSA-N	324.427	1.668	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H]2CC(=O)N(C3CC3)C2)cc1Cl	753315298	IGSBPHYVXLTHFR-JTQLQIEISA-N	318.764	1.666	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](OC)c2ccccc2)nc1	759729221	QCIKUWBDDPLTPO-CQSZACIVSA-N	315.329	1.699	50	20	DDGD	
CC(C)CCn1cccc1C=NNC(=O)CN1CCCC1=O	755586519	JCJRHBZQMDEBTR-UHFFFAOYSA-N	304.394	1.607	50	20	DDGD	
CCc1cccc(OCC(=O)NNC(=O)OCC(F)(F)F)c1	856026661	GYNSTXILAKOPSJ-UHFFFAOYSA-N	320.267	1.948	50	20	DDGD	
CNC[C@@H](C)NC(=O)NNC(=O)Nc1ccc(C)cc1Cl	851682479	UBFFIXGYTRAPNI-SECBINFHSA-N	313.789	1.592	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2CCc3n[nH]cc3C2)C[C@H]1Br	857393258	FPHFXUWJJNGOGM-RLCGTCKNSA-N	312.211	1.804	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2ncnn2C)cc1C	853807272	VEGAVDOHDLWROZ-UHFFFAOYSA-N	303.322	1.057	50	20	DDGD	
Cc1oc(C(C)C)nc1C(=O)NNC(=O)c1cccc(F)n1	856427138	QDPCKSKZKXOZCQ-UHFFFAOYSA-N	306.297	1.715	50	20	DDGD	
Cc1ccc(Oc2ccc(NC(=O)NNC(=O)CO)cc2)cc1	755431022	YRBXGTAKNQTUEW-UHFFFAOYSA-N	315.329	1.932	50	20	DDGD	
COc1ccc(C(=O)NN=C2CN(C3CC3)C[C@@H]2C)cc1OC	755871863	MRIVWIQXQBEBPB-NSHDSACASA-N	317.389	1.904	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCC(=O)CCNC(=O)C(F)(F)F	869504851	SRRMXEVOJWZPSM-WEVVVXLNSA-N	318.251	1.027	50	20	DDGD	
O=C(COc1ccc(B(O)O)cc1)C12CC3CC(CC(C3)C1)C2	863866662	XWLAHACCVNFRGR-UHFFFAOYSA-N	314.190	1.531	50	20	DDGD	
C[C@H](NNC(=O)[C@H]1COc2ccc(O)cc2O1)C(F)(F)F	869376801	KZMCVXOKBBGSER-QUBYGPBYSA-N	306.240	1.104	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1cccnc1Br	865213498	AWMVVOVRYGMZDC-YFHOEESVSA-N	311.135	1.941	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1c(C(F)F)nc2n1CCCC2	865042362	QVMDITMSRJFMRI-UHFFFAOYSA-N	315.324	1.509	50	20	DDGD	
CCCCn1ncc(C(=O)NNc2nnc(C)c(O)n2)c1CC	760793909	QESVHFHYZGQBKW-UHFFFAOYSA-N	319.369	1.202	50	20	DDGD	
C[C@@H](NNC(=O)[C@H](O)Cc1ccccc1Cl)C(F)(F)F	862318600	RMXYSEDMAJWQDW-GMSGAONNSA-N	310.703	1.815	50	20	DDGD	
C=C[C@@H](CC)CC(=O)NNC(=O)CNC(=O)c1cccs1	931472023	VWSLWQVHOJUPFM-JTQLQIEISA-N	309.391	1.228	50	20	DDGD	
CC(CCc1ccsc1)=NNC(=O)[C@H](C)NS(C)(=O)=O	764912046	QLFTZOGFKOZKNC-JTQLQIEISA-N	317.436	1.111	50	20	DDGD	
CC[C@]1(C(=O)NNc2ncnc3ccsc23)CCNC1=O	866728739	CKYBUUZFJSDMOA-ZDUSSCGKSA-N	305.363	1.051	50	20	DDGD	
O=C(NC[C@@H]1CCCS1(=O)=O)NNc1c(F)cccc1F	767172874	GLRXIOHAGWXNRN-QMMMGPOBSA-N	319.333	1.168	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1	867455798	WFNKUTMGBONWPO-ZJUUUORDSA-N	324.830	1.012	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1cccc(F)n1	765202996	WVZQKRFFYOHSQS-UHFFFAOYSA-N	301.203	1.786	50	20	DDGD	
COCCC(=O)COC(=O)/C(C#N)=C/c1cccc(OC)c1	761935391	YDPCQRJASFBNEQ-MDWZMJQESA-N	303.314	1.751	50	20	DDGD	
Cc1ccc(CO[C@H](C)C(=O)NNc2nccn(C)c2=O)cc1	863894534	SBPJXHYTHBVKEU-GFCCVEGCSA-N	316.361	1.137	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNc2ccc(-n3ccnc3)nn2)[C@@H]1C	861694811	YBJLPJARALFVMB-FBKDDSFISA-N	316.365	1.165	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@H]1CCOC2(CCC2)C1	769195003	UEXHYUYJORFXFO-QMMMGPOBSA-N	309.288	1.371	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1ncccc1C(F)(F)F	765570377	UDBXVNJOYZHJHR-UHFFFAOYSA-N	314.267	1.173	50	20	DDGD	
O=C(CCc1nccs1)NNC(=S)Nc1ccccn1	768578698	SGDMXQKBAYKHQW-UHFFFAOYSA-N	307.404	1.489	50	20	DDGD	
COc1cccc2c1OCCCC2=NNC(=O)Cc1cc[nH]n1	872377995	QMJUFAMIKZAZMW-UHFFFAOYSA-N	314.345	1.654	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)[C@H]2CCCN2C)cc1	874950611	FNDWTYGPZFGISD-CYBMUJFWSA-N	321.450	1.164	50	20	DDGD	
C=C(CBr)CN1CCN(c2nnc(C)n2C)CC1	879192026	IHJLKGIJEQXHTH-UHFFFAOYSA-N	314.231	1.197	50	20	DDGD	
O=C(O)c1ccccc1CCNS(=O)(=O)CBr	776612558	GPFMWAXWGSWFGN-UHFFFAOYSA-N	322.180	1.199	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)cc[nH]1	875304724	DOODMIVFWWIDGR-STQMWFEESA-N	319.409	1.228	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNc2nncc(N)c2Cl)cn1	1116304034	DEJPBQRYSFQRTJ-UHFFFAOYSA-N	322.756	1.651	50	20	DDGD	
CCn1cc(C(=O)NNc2cccc(F)c2C(=O)OC)cn1	773639682	YRZOOCFHUSGQMT-UHFFFAOYSA-N	306.297	1.586	50	20	DDGD	
CN(NC(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F)c1ccccc1	878228802	NGXFVRIFPICZKF-WDEREUQCSA-N	315.295	1.469	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1cccc(N2CCNC2=O)c1C	775741356	RHFJLCHVSTXXLK-BENRWUELSA-N	314.345	1.907	50	20	DDGD	
CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)NNC(=O)c1cccc(Cl)c1	872832117	UOMHDDJNFRDPNS-VHSXEESVSA-N	310.737	1.458	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1	875501295	YOPHCNMFDHXLMJ-OLZOCXBDSA-N	307.350	1.819	50	20	DDGD	
CCCc1ccccc1NC(=O)NNC(=O)COCCOC	878142409	XWIRJSXPTZBFOK-UHFFFAOYSA-N	309.366	1.455	50	20	DDGD	
CC(=O)Nc1ccc2c(c1)CN(S(=O)(=O)CCl)CC2	872601489	NDPNTNRGFPVUOC-UHFFFAOYSA-N	302.783	1.529	50	20	DDGD	
CCS[C@@H]1CCC[C@@H](NC(=O)NNC(=O)c2cn[nH]c2)C1	875343301	VQHZPOTUPGWULX-GHMZBOCLSA-N	311.411	1.418	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)C2CCNCC2)cc1F	1118015560	DQZIDJDTJUMLGD-UHFFFAOYSA-N	324.356	1.377	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NC[C@@H](C)S(C)(=O)=O	771341578	BQLBMOLDGKUXKW-SECBINFHSA-N	303.359	1.193	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C	875574456	NYVNBPVCVPLRTO-GXTWGEPZSA-N	322.409	1.899	50	20	DDGD	
O=C(NCc1cccc(Cl)c1)NNC(=O)C1CCOCC1	883039386	MWLHFJNWCCQXRZ-UHFFFAOYSA-N	311.769	1.597	50	20	DDGD	
O=S(=O)(CCCCl)N1CCC[C@@H]1CN1CCCCC1	881859481	VFXWUZMMAONDDT-CYBMUJFWSA-N	308.875	1.895	50	20	DDGD	
COc1ccc(C)cc1CNC(=O)NNC(=O)C1CCOCC1	883142065	XRCCLYPTCNOWHH-UHFFFAOYSA-N	321.377	1.261	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1c(C)[nH]c2ccccc12	771913797	AAQXKIFAWVPFDX-JTQLQIEISA-N	317.345	1.579	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CCOCC2)nn1C(C)(C)C	883062177	SPJIVVXIDOFTJC-UHFFFAOYSA-N	308.382	1.134	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NC[C@H]2C=CCC2)c1	883416554	XYHNFNJVANUQKF-ZDUSSCGKSA-N	303.362	1.670	50	20	DDGD	
C#CCN1CCC[C@@H](NC(=O)NNC(=O)c2ccccc2C)C1	884017193	PBQBCACRJQQJLN-CQSZACIVSA-N	314.389	1.037	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](C)OCc1ccc(C)cc1	887152160	ZGWMFEJGRRDKGN-CQSZACIVSA-N	302.374	1.851	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H]1CCCN(C(C)=O)C1	780738143	HJQVOEIUVQBPDS-GFCCVEGCSA-N	319.361	1.175	50	20	DDGD	
Cc1ccccc1NC(=O)C(=O)NNC(=O)c1ccc(O)cc1	782832114	LVGWTEWEKLUFHB-UHFFFAOYSA-N	313.313	1.100	50	20	DDGD	
N#Cc1ccc(NNC(=O)CCOCC(F)(F)C(F)F)nc1	899660989	GEKNCTAXUGBOFO-UHFFFAOYSA-N	320.246	1.703	50	20	DDGD	
C[C@@H](CN1CCOCC1)N(C)CCI	789336085	UOWWHVWOLRHHBU-JTQLQIEISA-N	312.195	1.074	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnn(-c2ccc(Cl)cc2)n1	780710396	ZXGFFAPDTFOUCH-UHFFFAOYSA-N	322.756	1.227	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(-c2ccco2)cc1F	786497770	UBFYUJMEHQOUKA-UHFFFAOYSA-N	307.281	1.885	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2	782548718	AJVUVOWDVXPRCT-QMMMGPOBSA-N	306.322	1.215	50	20	DDGD	
C[C@H]1CC[C@H](NC(=O)NNc2ccccc2S(C)(=O)=O)C1	780787949	UAGAROZXYFPHSX-QWRGUYRKSA-N	311.407	1.905	50	20	DDGD	
C[C@H]1CC[C@H](CNC(=O)NNC(=O)COCc2ccccc2)C1	792954968	ROXKWVTYWKOAHD-ZFWWWQNUSA-N	319.405	1.970	50	20	DDGD	
C[S@](=O)C1(CNC(=O)NNc2ccc(F)cn2)CCC1	798105384	TZPRWALDAVLYTI-FQEVSTJZSA-N	300.359	1.148	50	20	DDGD	
C=C(CBr)COC(=O)c1cccc(-n2cnnn2)c1	795331513	MIGNEYVEDKTXNY-UHFFFAOYSA-N	323.150	1.770	50	20	DDGD	
Cc1nc(/C=C/c2cnn(CCCl)c2)nc(O)c1CC(=O)O	794713800	OTYAPPODWMKJBD-NSCUHMNNSA-N	322.752	1.723	50	20	DDGD	
Cc1c[nH]nc1C(=O)NNC(=S)NCCc1cccs1	799409318	WKEVZRFFEZBQGZ-UHFFFAOYSA-N	309.420	1.131	50	20	DDGD	
COc1coc(C(=O)NNc2cccc([N+](=O)[O-])c2)cc1=O	798983035	HRMPISLOFCUVBK-UHFFFAOYSA-N	305.246	1.314	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(Br)ccn1	794333044	IKNBNYMJQZJDCK-UHFFFAOYSA-N	317.143	1.033	50	20	DDGD	
O=C(CCc1cncnc1)NNC(=O)c1ccc(Cl)cc1	794198281	FLYGRCAKEPSEKZ-UHFFFAOYSA-N	304.737	1.524	50	20	DDGD	
Cc1csc(CC(=O)NN=C2CC(=O)N3CCCC[C@H]23)n1	799473834	AXOQURCBWUPOHQ-LLVKDONJSA-N	306.391	1.251	50	20	DDGD	
CC(C)n1ccc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)n1	1318500119	SGVALVSMRGSBQL-UHFFFAOYSA-N	316.365	1.141	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=C2CC(C(=O)O)C2)o1	1327801464	IUOBGLWIVAARJK-UHFFFAOYSA-N	307.350	1.702	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H](C)c2cnn(C)c2)cc1	1322194654	PYNLXPQOLIAWFS-JTQLQIEISA-N	317.349	1.134	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cccc(C#N)c2C)n1	1322717298	PREMFPOYDRANEU-UHFFFAOYSA-N	311.345	1.141	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2nc[nH]c2C(C)(C)C)cc1	1329302261	AASSJMASOOWTDL-UHFFFAOYSA-N	316.361	1.791	50	20	DDGD	
C[C@H]1CCC[C@@H]([C@H](C)NC(=O)NNC(=O)C2CCNCC2)C1	1327485766	IPKAWKYPLSKIRA-SGMGOOAPSA-N	310.442	1.531	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@]2(F)CCOC2)c1C	1330619525	XFZWVHMHLKKMRP-AWEZNQCLSA-N	311.382	1.750	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C[C@@H](n1cccn1)C(F)(F)F	1333766160	FLNYLJQJDLPPOX-MRVPVSSYSA-N	323.344	1.280	50	20	DDGD	
C[C@H]1CN(C(=O)OC(C)(C)C)CC1=NNC(=O)C[N+](C)(C)C	1331819297	CNJDLPBXYUDNJG-NSHDSACASA-O	313.422	1.052	50	20	DDGD	
C[C@]1(CNC(=O)CCSCCCN)C[C@@H]1Br	1263164295	QMPGNBORZURFJP-GXSJLCMTSA-N	309.273	1.748	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](C)Cc1c(C)n[nH]c1C	1345077932	OSUONKNLVJTNTI-MRVPVSSYSA-N	304.354	1.147	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)c1c(C)nc2ccccn12	1346405639	KSZPIFMVDWCRIS-NWDGAFQWSA-N	316.361	1.219	50	20	DDGD	
C[C@@H]1C[C@@H]1CNC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1261765894	TXFARXDFHYSZBC-XBWDGYHZSA-N	303.200	1.048	50	20	DDGD	
COc1c(Br)cccc1C(=O)NNC(=O)C1CC1	1263700008	HZUPOHYQVNSHHY-UHFFFAOYSA-N	313.151	1.629	50	20	DDGD	
CC(C)CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)CC1CC1	1347014273	ADFZFIHVBLMDEJ-ZDUSSCGKSA-N	309.410	1.361	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@H]1CCCCCN1	1353512138	CULZUAXZBXECGK-CYBMUJFWSA-N	304.394	1.471	50	20	DDGD	
C[C@]1(CNC(=O)NNc2ccc(C(=O)O)cc2F)CCCNC1	1604577802	REKSXESMNWGFSY-HNNXBMFYSA-N	324.356	1.540	50	20	DDGD	
O=C(CCC(=O)c1cccs1)NNc1ccc(C(=O)O)cn1	1601262689	PUEOSERJOGPYPC-UHFFFAOYSA-N	319.342	1.948	50	20	DDGD	
N#C[C@]1(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CC12CCCC2	1606340080	CPOHGLHIMVIDAE-INIZCTEOSA-N	323.360	1.784	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2cnc3[nH]cnc3c2)cc1	1602128132	CUFILPIDIMRFKK-UHFFFAOYSA-N	311.301	1.342	50	20	DDGD	
Cn1cccc1CNC(=O)NNc1ccc(F)c(C(=O)O)c1	1600981735	XYOOMIBKWSWPBP-UHFFFAOYSA-N	306.297	1.689	50	20	DDGD	
O=C(NCCC1CCNCC1)NNc1ccc(C(=O)O)cc1F	1601492037	LHIYJSICAYOZGI-UHFFFAOYSA-N	324.356	1.540	50	20	DDGD	
C[C@H]1OCC(=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)[C@H]1C	1603953538	INIKQOALDKDZCK-DTWKUNHWSA-N	300.322	1.007	50	20	DDGD	
C=C[C@@H](NNC(=O)c1ccc(COc2ccccc2)o1)C(=O)O	1602819603	ZSHWDGOBHOMYIA-CYBMUJFWSA-N	316.313	1.732	50	20	DDGD	
COCC[C@H](COC)NC(=O)NNc1cccc(C(=O)O)c1	1610255316	ZYCIGCKVAYBIAY-GFCCVEGCSA-N	311.338	1.062	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cc(F)ccc2[N+](=O)[O-])nc1	1610836096	YDAKQCNPFMUQDJ-UHFFFAOYSA-N	320.236	1.584	50	20	DDGD	
Cc1ccc(C)c(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)c1	1549317234	WAURUQIEWNGKHT-JKSUJKDBSA-N	301.390	1.617	50	20	DDGD	
CCn1cc([C@H]2OCC[C@H]2C=NNC(=O)c2cccn2C)cn1	1552455167	XBQAVFXOTKLZEH-WFASDCNBSA-N	315.377	1.735	50	20	DDGD	
O=C(O)C1(C(=O)NN=c2cc[nH]c3cccnc23)CCCCC1	1574633507	SUPHPOCYYAGZDN-UHFFFAOYSA-N	314.345	1.530	50	20	DDGD	
CC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1842653631	IQDXSLSCMHROBF-NSHDSACASA-N	304.749	1.093	50	20	DDGD	
NCCN(CC(=O)NNc1ccc(F)cn1)Cc1ccccc1	1580305811	LNLKNZMJMGXRTQ-UHFFFAOYSA-N	317.368	1.125	50	20	DDGD	
CCCn1nc(C)c(C(=O)NNc2ncccc2C(=O)O)c1C	1589695492	GDNRBBWRTQYESD-UHFFFAOYSA-N	317.349	1.760	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cc[nH]n1)C2	1841666194	QGTYWJJONHMLNQ-NSHDSACASA-N	324.812	1.634	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNc1cccc(F)c1C(=O)O	1596683610	MJGKSQAGLASQPE-HTQZYQBOSA-N	310.281	1.166	50	20	DDGD	
O=C(CCOc1ccc(F)cc1)NNc1ncccc1C(=O)O	1594688110	GYWZBHYCBYURII-UHFFFAOYSA-N	319.292	1.831	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1ccsc1Cl	1593163232	OXOYKKHLDGZWET-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1ccc2c(c1)CCOC2	1594781615	QTEGDUZMDJJLKR-UHFFFAOYSA-N	313.313	1.609	50	20	DDGD	
O=S1(=O)C[C@H](OCc2ccccc2)[C@@H](Br)C1	158127307	VUZKVLUMQRDYJE-QWRGUYRKSA-N	305.193	1.764	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=Cc2ccc([N+](=O)[O-])o2)c1	1776094898	SAXSNJLXFQKFIU-UHFFFAOYSA-N	303.230	1.650	50	20	DDGD	
CC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(C#N)CC1	1795849642	VAQSKKUNLDHCPK-YVECIDJPSA-N	323.824	1.946	50	20	DDGD	
O=C(COC(=O)c1ccc(F)cc1)NNC(=O)c1cccs1	5061901	KNRIVIBPGFGHQP-UHFFFAOYSA-N	322.317	1.505	50	20	DDGD	
Cc1cc(CC(=O)NNC(=S)N[C@H]2CCCC[C@H]2C)[nH]n1	17514292	QWFDVHLMBLTARS-SKDRFNHKSA-N	309.439	1.335	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cn1	17249039	DCANDMQHVTYCPT-UHFFFAOYSA-N	305.721	1.818	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)C1(O)CCSCC1	163061379	DHPRWHMMWVDVNT-UHFFFAOYSA-N	322.430	1.415	50	20	DDGD	
O=C(CSc1nnnn1C1CC1)NNc1ccccc1F	152851244	MLRANSNPXKSWLE-UHFFFAOYSA-N	308.342	1.383	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)n1	155813121	AZBZZFCZHQAFSF-UTUOFQBUSA-N	305.382	1.333	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)cn1	156426281	SXJHLSKDOKOWFJ-MNOVXSKESA-N	320.299	1.263	50	20	DDGD	
Cn1cc(C[C@@H]2CCN(S(=O)(=O)CCCCCl)C2)cn1	154516315	DBAHIDDXNOMAGJ-LBPRGKRZSA-N	319.858	1.633	50	20	DDGD	
CCc1nnsc1C(=O)NNC(=O)Cc1ccccc1OC	55353319	RNZXJHYMLNKZLN-UHFFFAOYSA-N	320.374	1.113	50	20	DDGD	
CCCc1sc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1CC	106417057	YKKMWRJJFXKBIP-UHFFFAOYSA-N	320.418	1.990	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)c2ccccc2)c(C)c1	55549150	NSLSTTNWTDZXOL-UHFFFAOYSA-N	320.370	1.627	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cn2ccc3ccccc32)cn1	104630585	NUXAXIRWFQVEHJ-UHFFFAOYSA-N	308.341	1.806	50	20	DDGD	
COCCCCNC(=O)NNC(=O)c1cccc2ncccc12	106531694	DFPWBDUSNODECC-UHFFFAOYSA-N	316.361	1.605	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)N[C@@H](C)C2CC2)cc([N+](=O)[O-])c1	175549294	WOUXTTLVLOUUME-VIFPVBQESA-N	322.390	1.811	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)CC[C@@H]2CCOC2)c1	176463993	JGPUIKMIXYWMBP-GFCCVEGCSA-N	305.378	1.330	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNC(=O)[C@@H](CC)c1ccccc1	110342416	DRUHSVUVLBSEBV-ZFWWWQNUSA-N	322.405	1.769	50	20	DDGD	
Cn1c(=O)[nH]c2cc(C(=O)NNc3ccc(Cl)nn3)ccc21	118498072	XLWZZDQJDTULTA-UHFFFAOYSA-N	318.724	1.067	50	20	DDGD	
Cc1nc(C)c(CCC(=O)NNc2ncccc2Cl)c(=O)[nH]1	172268953	SXEMBEPYWZLLQV-UHFFFAOYSA-N	321.768	1.511	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccccc2OC(F)F)cn1	117680176	ROQIRPYUUPWUPE-UHFFFAOYSA-N	310.260	1.096	50	20	DDGD	
CCCC[C@@H](CCC)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1	175985580	QKRSXLPBVYHCAU-TZMCWYRMSA-N	319.471	1.726	50	20	DDGD	
CSC[C@H](C)C(=O)NNC(=O)c1ccc2ccccc2n1	66814947	HQPXHHYYJVULEF-JTQLQIEISA-N	303.387	1.995	50	20	DDGD	
Cc1ccnc(NNC(=O)CNC(=O)c2ccc(F)cc2)c1	176739762	TUKSCAZRGARBQG-UHFFFAOYSA-N	302.309	1.402	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NC2CC2)cc1OC	64428792	WCVBXBGTFKJBII-UHFFFAOYSA-N	307.350	1.129	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NNc1ccc(Cl)nn1	172441640	XKVJWNPLRQKUMP-ISVAXAHUSA-N	320.736	1.802	50	20	DDGD	
Cc1nn(C)c(C)c1CCC(=O)NNc1cc(Cl)nc(N)n1	183528025	YYAKIBPZBKZUAU-UHFFFAOYSA-N	323.788	1.138	50	20	DDGD	
Cc1ccc(-n2nc(NC(=O)NNC(=O)CCO)cc2C)cc1	128080901	IQTZEYZYSMOKMX-UHFFFAOYSA-N	317.349	1.024	50	20	DDGD	
CC(C)(O)c1ccc(CNC(=O)NNc2cccnn2)cc1	185630905	AAYQUUPOGUINPK-UHFFFAOYSA-N	301.350	1.530	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	129256550	GASBAINRKPSTCM-UHFFFAOYSA-N	316.361	1.510	50	20	DDGD	
Cc1ccnn1-c1ccccc1NC(=O)NNC(=O)c1ccc[nH]1	184327628	IETKBRCXILHURS-UHFFFAOYSA-N	324.344	1.975	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CN(C)C)sc2cccc(F)c12	75652982	RUKOKCFFRXYHAJ-UHFFFAOYSA-N	309.366	1.671	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNC(=O)c2cc(C)n[nH]2)cc1	120064590	MTMIGNJUPVBZMY-UHFFFAOYSA-N	316.361	1.466	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N[C@H]1CC=CCC1	77641007	LRJIOAOXGJULOL-LBPRGKRZSA-N	313.361	1.695	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)N[C@H]2CC=CCC2)c1	181675482	DUXKIGJTXZVKFA-NSHDSACASA-N	309.391	1.825	50	20	DDGD	
CS(=O)(=O)/C(C#N)=C/c1cnn(Cc2ccc(F)cc2)c1	187203709	YHEBMZAGAZWISB-MKMNVTDBSA-N	305.334	1.980	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc[nH]1	122887336	FPPMKDNIXAUINR-UHFFFAOYSA-N	308.681	1.651	50	20	DDGD	
Cc1c(Cl)cccc1NC(=O)C(=O)NNc1cnccn1	122323873	RPUVODDOWMULMN-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
Cc1nc2ccc(NC(=O)NNC(=O)c3cnn(C)c3)cc2o1	183535697	DABKDPJNSIPBAM-UHFFFAOYSA-N	314.305	1.336	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2[C@H]3CCO[C@@H]3C23CCCC3)nn1	124259658	CECHNARSVSHYHC-XBFCOCLRSA-N	317.393	1.759	50	20	DDGD	
Cc1ccc(NNC(=O)NCCc2cccc([N+](=O)[O-])c2)nn1	126268142	RWISFPANWCNXCB-UHFFFAOYSA-N	316.321	1.562	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cnn(-c2ccccc2F)c1	186526835	NKQSMCMUXBSFSU-UHFFFAOYSA-N	321.312	1.201	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2cccc[n+]2[O-])c1C	45081134	CJSFJVSDGHLOFB-UHFFFAOYSA-N	316.386	1.568	50	20	DDGD	
CCOC1CC(CC(=O)NNC(=O)Cc2ccccc2F)C1	189860451	IUQMNCXQVDDYNW-UHFFFAOYSA-N	308.353	1.721	50	20	DDGD	
C=C[C@](C)(CC)C(=O)NNC(=O)[C@H]1COc2ccccc2O1	134857120	NNHLXIOWJHPBIY-CZUORRHYSA-N	304.346	1.576	50	20	DDGD	
CCCSCC(=O)NNC(=O)COc1ccc(F)cc1	49068804	HMFXSQOZQKFERU-UHFFFAOYSA-N	300.355	1.495	50	20	DDGD	
COc1cccc([C@H](C)CC(=O)NNC(=O)c2cnn(C)c2)c1	84547661	HUZRNQGNYAQLNB-LLVKDONJSA-N	316.361	1.384	50	20	DDGD	
CNC(=O)NNC(=O)CCOc1ccc(Cl)cc1Cl	48950542	VSAFNQYGTPGUKS-UHFFFAOYSA-N	306.149	1.723	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccn(CC(F)F)n2)cc1	193950067	TYAROXLWVUSUMH-UHFFFAOYSA-N	319.271	1.095	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H]1CCCN(CC(F)(F)F)C1	194163936	NAAYEUAMLYCNLU-VIFPVBQESA-N	309.332	1.454	50	20	DDGD	
C[C@H](NC(N)=O)C(=O)NN(Cc1ccccc1)c1ccccc1	45165850	QOBNMEUPBTWINJ-ZDUSSCGKSA-N	312.373	1.781	50	20	DDGD	
O=C(C#Cc1ccccc1)NNC(=O)Cc1cn2ccccc2n1	81964959	JJLZTTCVRQIAOH-UHFFFAOYSA-N	318.336	1.076	50	20	DDGD	
CCO[C@@H](CNC(=O)NNc1ncccn1)c1ccccc1	195194331	VIHIDTIKXZQRPK-ZDUSSCGKSA-N	301.350	1.881	50	20	DDGD	
COc1nccnc1NNC(=O)c1sc(N(C)C)nc1C	131962036	LVQUKZZYSRGWTF-UHFFFAOYSA-N	308.367	1.073	50	20	DDGD	
Cc1ccc(C)c(OCCCCC(=O)NNC(=O)C(C)(C)O)c1	190059752	RGFPRHYEGVMDIV-UHFFFAOYSA-N	322.405	1.771	50	20	DDGD	
O=C(Cc1cnn(-c2ccccc2)c1)NNC(=O)c1ccccn1	142568906	KEZQQWFDCHRHFB-UHFFFAOYSA-N	321.340	1.271	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(C(C)C)n(C)n1	91821725	ZFBASSFTIDUBIP-UHFFFAOYSA-N	315.468	1.015	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=O)c1ccccc1O	249731640	AQGPWVLVGGFJSX-GRYCIOLGSA-N	305.378	1.415	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)[C@@H]2CCCS2)nc2ccccc21	266655895	ZHWNLVFVJSUURQ-LBPRGKRZSA-N	318.402	1.159	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=S)Nc1cccc(C)c1C	263882424	UQCKRNSLOKLZOH-WDEREUQCSA-N	321.402	1.430	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1ccc(Cl)nn1	265471242	IXOUBBPCZAEAAZ-UHFFFAOYSA-N	301.734	1.052	50	20	DDGD	
CCCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1ccccn1	264567413	ZSPLIMFZHUGENC-CYBMUJFWSA-N	318.377	1.024	50	20	DDGD	
C=CCCCCNC(=O)NNC(=O)c1ccc2c(c1)OCCO2	274581440	NRIGBPDFGHMFRA-UHFFFAOYSA-N	319.361	1.758	50	20	DDGD	
Cc1cc(F)ccc1-n1ccc(C(=O)NNC(=O)NC2CC2)n1	273013408	VQOLPYJIIDTIIN-UHFFFAOYSA-N	317.324	1.426	50	20	DDGD	
Cc1coc(C)c1C(=O)NNc1nnc(-c2ccccn2)s1	367675862	QOSUHVZLOIPZKI-UHFFFAOYSA-N	315.358	2.567	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1cccc(N2CCNC2=O)c1	273362701	WGKZNCFDRYWQDT-UHFFFAOYSA-N	317.349	1.169	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCC1(C(N)=O)CCCC1	273209873	PQHKPNCECSEILQ-LCYFTJDESA-N	315.348	1.895	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccc[nH]1)[C@@H](C)NC(=O)OC(C)(C)C	276898024	DMLVRMCFUSRPMJ-VHSXEESVSA-N	324.381	1.325	50	20	DDGD	
N#CC1=CCN(CC(=O)NCCOc2ccc(Cl)cc2)CC1	272660679	OLZTVZOMLFYEAX-UHFFFAOYSA-N	319.792	1.991	50	20	DDGD	
O=C(NNC(=O)c1cnc2n1CCCC2)c1c[nH]c2ccccc12	371025688	OMDSACADUBZYMP-UHFFFAOYSA-N	323.356	1.776	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2ncccc2C)nc1C	272126806	APSJOPLLPMWFEW-UHFFFAOYSA-N	315.333	1.422	50	20	DDGD	
COCc1ncc(C(=O)NNC(=O)c2ccc(C)s2)s1	284996974	FVRKLTZAQKGAHR-UHFFFAOYSA-N	311.388	1.734	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccncc1Cl	288138237	ZOQMTALWEAUEFC-UHFFFAOYSA-N	315.757	1.285	50	20	DDGD	
CC(C)(C)c1cnc(CCC(=O)NNC(=O)c2ccc[nH]2)o1	282388283	GQHSPMJZUFVPES-UHFFFAOYSA-N	304.350	1.694	50	20	DDGD	
CC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)Nc1ccccc1C	280872446	BWNJGFKPNKZPCN-AWEZNQCLSA-N	320.393	1.699	50	20	DDGD	
CCCN(NC(=O)c1ccc(C(N)=O)cn1)C(=O)OC(C)(C)C	286579517	SJYZTXJXLAUDQW-UHFFFAOYSA-N	322.365	1.472	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(C2CC2)no1	281988854	XIQNOMRBIARCMH-UHFFFAOYSA-N	300.409	1.024	50	20	DDGD	
Cc1cccc2c(CC(=O)NNC(=O)[C@@H]3CCCCO3)c[nH]c12	295673224	XFGBOKBCHVWWQO-AWEZNQCLSA-N	315.373	1.735	50	20	DDGD	
CCC[C@@H](C)C(=O)NCCNC(=O)NNc1ncccc1F	292798469	NFCZGVSNAPENJN-SNVBAGLBSA-N	311.361	1.399	50	20	DDGD	
CCCS(=O)(=O)Nc1cccc(NC(=O)NN(C)C)c1	296056087	UKQRMHIRJOIKIV-UHFFFAOYSA-N	300.384	1.436	50	20	DDGD	
CC(C)OC(=O)CC[C@@H](C)NC(=O)NNc1ncccc1F	805402218	XVRIJOCYDDNNLM-SNVBAGLBSA-N	312.345	1.967	50	20	DDGD	
CCOc1ccc(CNC(=O)NNC(=O)[C@@H]2CCCO2)cc1	291922386	LQLWKGSRQYHJRM-ZDUSSCGKSA-N	307.350	1.095	50	20	DDGD	
CCS(=O)(=O)c1ccc(C(=O)NNc2ncccc2F)cc1	804216394	JEOVFFRREWEFFO-UHFFFAOYSA-N	323.349	1.771	50	20	DDGD	
CCCc1cc(NC(=O)NNC(=O)[C@H]2CCCCO2)n(C)n1	296914640	NXKVLQIRGTWFIR-LLVKDONJSA-N	309.370	1.094	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCc1cncnc1)c1ccccc1	292183388	NFNGLCPOCJZQJZ-OAHLLOKOSA-N	312.373	1.750	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Nc2cc3ccccn3n2)cc1	806651556	DZBDPAZISYTKRQ-UHFFFAOYSA-N	320.312	1.672	50	20	DDGD	
CC[C@@H](C)CCC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	803878313	UHZNOTQSNNWJMO-NEPJUHHUSA-N	300.399	1.938	50	20	DDGD	
O=C(NCCn1cc(Br)cn1)NNc1ccccc1	807528404	FDFAFZCMRKUCMW-UHFFFAOYSA-N	324.182	1.972	50	20	DDGD	
C[C@@H](C(=O)NNc1nc2ccccc2[nH]1)N(C)CC(F)(F)F	807173767	OEHUDESTIMILSH-QMMMGPOBSA-N	315.299	1.889	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@H](c1ccccc1)N(C)C	298651685	MZCRRXBDMFHBNG-AWEZNQCLSA-N	306.410	1.666	50	20	DDGD	
O=C(NC[C@@H]1CCCCN1C1CC1)NNc1ncncc1F	293264759	FXPWNSHWBKUYFF-NSHDSACASA-N	308.361	1.259	50	20	DDGD	
CSSCCNC(=O)N1CCN(C[C@H](C)O)C[C@H]1C	807231627	OLDFRDLMABWSTI-MNOVXSKESA-N	307.485	1.094	50	20	DDGD	
CO[C@@H](C)c1nsc(NC(=O)NNC(=O)c2ccc[nH]2)n1	809928290	JGNBXBOVBUZZFP-LURJTMIESA-N	310.339	1.040	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NNC(=O)OC(C)(C)C)n1	298301716	LPFJSUISFWBWSO-UHFFFAOYSA-N	312.395	1.741	50	20	DDGD	
COc1ccccc1CC(=O)NN=C1CCC(C(=O)O)CC1	814813532	RNLFQHFNKKMPJA-UHFFFAOYSA-N	304.346	1.985	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)c2cc(O)c3ccccc3c2)nn1	810511946	NBLIFXDOXJZROE-UHFFFAOYSA-N	323.312	1.191	50	20	DDGD	
Cc1cc(C)c(C(=O)O)cc1C=NNC(=O)N1CCOCC1	814820330	YRFWNRURIPMZCP-UHFFFAOYSA-N	305.334	1.377	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)c2cccc3ncccc23)n1C	811641842	SMLQPUIXFWOKDG-UHFFFAOYSA-N	322.372	1.798	50	20	DDGD	
COc1cnc(C(=O)NNC(=O)c2ccc3ccccc3c2)nc1	815051281	PUBLDCDTIVPRNM-UHFFFAOYSA-N	322.324	1.713	50	20	DDGD	
CC(=O)Nc1cccc(CC(=O)NNc2cc(C)nc(C)n2)c1	819882344	KTTNXOYBWPURDO-UHFFFAOYSA-N	313.361	1.738	50	20	DDGD	
COc1ccc(-c2noc(CCC(=O)NN(C)C3CC3)n2)cc1	819643433	BYGTUIHBOGOHBC-UHFFFAOYSA-N	316.361	1.803	50	20	DDGD	
CC(C)CCOc1ccc(C(=O)NNC(=O)[C@@H](O)C(C)C)cc1	813367323	XQZNGHZOZMRYBO-HNNXBMFYSA-N	322.405	1.889	50	20	DDGD	
CCCNC(=O)NNC(=O)C1(c2cccc(Cl)c2)CC(=O)C1	813424856	BBIVKIYHRBMVAR-UHFFFAOYSA-N	323.780	1.681	50	20	DDGD	
COc1cc(C(C)=NNC(=O)[C@H]2COc3ccccc3O2)on1	814701236	RECYMKZWGCESJZ-CYBMUJFWSA-N	317.301	1.363	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)Cn1cnc2ccccc21	812451684	JOYLGVLDHZGIAY-NWDGAFQWSA-N	318.377	1.102	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cnc2c(F)ccc(F)c2c1	815122366	KLULINBHJUJJGM-UHFFFAOYSA-N	308.288	1.867	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)CN(C)C(C)C)cc1C	812720967	RVRCYIBMSUSBCR-UHFFFAOYSA-N	307.394	1.955	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1ccc(Br)s1	727650245	XJTWNMQOFVCZQY-UHFFFAOYSA-N	304.213	1.912	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCC(C)(C)c1ccccn1	826891983	BXVBHFVVBGOBAX-NWDGAFQWSA-N	320.393	1.115	50	20	DDGD	
CN(CC(=O)NNCC(F)(F)C(F)(F)F)CC(C)(C)C	825005146	YSNPTCGXUBSDHQ-UHFFFAOYSA-N	305.291	1.783	50	20	DDGD	
CCN(CCO)NC(=O)Cc1ccccc1Br	823856331	PSUVAZFNIQSIGR-UHFFFAOYSA-N	301.184	1.337	50	20	DDGD	
Cc1cccc2sc(NNC(=O)CN3CCN(C)CC3)nc12	828362361	IAYBSZPCDIZTGZ-UHFFFAOYSA-N	319.434	1.295	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@@H]1CCC[C@H]1Cc1ccccc1	829100028	HHXIMBYXOWAXJU-JKSUJKDBSA-N	317.433	1.791	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1nc(CCCC(=O)O)cs1	829818650	ZWXURQBNKIKYOU-CLFYSBASSA-N	309.347	1.933	50	20	DDGD	
CCC(C)(C)CNC(=O)NNC(=O)CNC(=O)OC(C)(C)C	495958586	WLUKWWYXVDSRGG-UHFFFAOYSA-N	316.402	1.278	50	20	DDGD	
CN1CC[C@@H]2[C@H](CCCN2C(=O)/C(C#N)=C/c2cnn(C)c2)C1	491163961	ZAASAXDVKRBGQQ-DGCUZWNNSA-N	313.405	1.270	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCOC[C@@H]2c2ccccc2)cn1	491048958	MCUXZXICMWWUMR-VHEJECIDSA-N	322.368	1.927	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc3ncccc23)CO1	827611923	HTTIBNHBVAQEQR-GHMZBOCLSA-N	314.345	1.356	50	20	DDGD	
CC(=NNC(=O)OC(C)(C)C)c1cccc(S(N)(=O)=O)c1	490619879	NAOMEZMRMWJBCL-UHFFFAOYSA-N	313.379	1.583	50	20	DDGD	
COC(=O)N(C)NC(=O)c1nc(C)sc1Br	496348522	ZFCOFVOCOYTIAO-UHFFFAOYSA-N	308.157	1.557	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)NOCC1CCC1	824022281	KVCTWMQMENQSOU-UHFFFAOYSA-N	311.313	1.267	50	20	DDGD	
CC(C)C(=O)NNC(=O)CSc1nc(O)cc(C(F)F)n1	829609813	RZNUFLUDCUTUMJ-UHFFFAOYSA-N	320.321	1.015	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1	823988054	OYKWNYDPNDTLNV-DOMZBBRYSA-N	308.378	1.202	50	20	DDGD	
COc1ccccc1-c1nc(C(=O)NN(C)[C@H](C)CO)cs1	823965627	QPGVLZBSDGPFTL-SNVBAGLBSA-N	321.402	1.776	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C)Cc1ccc(F)c(Cl)c1	829234798	TZICRYZUHIDSSP-UHFFFAOYSA-N	315.776	1.714	50	20	DDGD	
CC(C)C(=O)NNC(=O)CS[C@@H](C)C(=O)OC(C)(C)C	829538907	HPLSAGIZECVTOH-VIFPVBQESA-N	304.412	1.253	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C\c1ccc(S(C)(=O)=O)s1	491011606	PHJSLYQBPBOXGW-POHAHGRESA-N	312.416	1.831	50	20	DDGD	
Cc1coc(C)c1C(=O)NNC(=O)CNC(=O)OC(C)(C)C	496502705	YXGDKLKWZGBNAN-UHFFFAOYSA-N	311.338	1.182	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)[C@H](C)c1ccncc1	827300811	UMQWAAPDKZYBIC-MDZLAQPJSA-N	306.366	1.240	50	20	DDGD	
COc1cc(C=NNC(=O)c2cccn2C)cc([N+](=O)[O-])c1O	725846604	IWXWTEQULHBMKY-UHFFFAOYSA-N	318.289	1.411	50	20	DDGD	
N#CCn1c(C(=O)NNC(=O)c2ccncc2)cc2ccccc21	729295950	JQYCBIJZSFCJNQ-UHFFFAOYSA-N	319.324	1.635	50	20	DDGD	
CCOc1ccccc1OCCCC(=O)NN(C)[C@H](C)CO	823983373	RUNOCBVLMFGWQG-CYBMUJFWSA-N	310.394	1.588	50	20	DDGD	
CC(C)CN(CC(C)(C)C)C(=O)c1cc(B(O)O)ccc1F	584960765	UKNDYYJAIFWUFG-UHFFFAOYSA-N	309.190	1.650	50	20	DDGD	
CC[C@H](Cc1ccc(C)cc1)NC(=O)c1cccc(B(O)O)c1	584955833	QEFGLQMNUTZBDF-QGZVFWFLSA-N	311.190	1.426	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Nc2cccc(C(N)=O)c2)c1	728941434	BIPCUVLBUJTTGU-UHFFFAOYSA-N	323.312	1.124	50	20	DDGD	
COCCN(CCN(C)C)C(=O)[C@]1(C)C[C@@H]1Br	906578619	HBWIXYCEVYTKLI-CMPLNLGQSA-N	307.232	1.197	50	20	DDGD	
CN(NC(=O)Nc1ccccc1CN1CCOCC1)C1CC1	824118099	JEXHGSTWEQLUDZ-UHFFFAOYSA-N	304.394	1.650	50	20	DDGD	
CCN(CCO)NC(=O)CCC(=O)Nc1c(F)cccc1F	823893802	XCDNOTWBFIMYTO-UHFFFAOYSA-N	315.320	1.029	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N2CCOCC2)c2c1CCC2	822854591	PUBVRZZOXADJAO-UHFFFAOYSA-N	303.362	1.170	50	20	DDGD	
CSCCCCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	739485260	OLJPUEJIORTIID-NSHDSACASA-N	308.469	1.012	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)c1cc(Cl)ccc1O	732528412	IZCWWXHSFLUOLH-UHFFFAOYSA-N	304.755	1.196	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC(F)(F)[C@@H](C)C1	827268224	MLTFRSDMWNJQMC-LPEHRKFASA-N	305.325	1.129	50	20	DDGD	
Cc1ccc([C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C2)c(C)c1	584985574	NJGUAJSAONNIAH-INIZCTEOSA-N	323.201	1.613	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)/C=C\c2ccc[nH]2)cc1OC	492010363	OMQUAQDSTFRRQR-VURMDHGXSA-N	315.329	1.506	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCCCCC1)c1cnccn1	734744716	CGKHTLUSTGILMB-CYBMUJFWSA-N	303.410	1.829	50	20	DDGD	
C[C@H](C[C@H](O)c1ccc(F)cc1)NCc1ccccc1B(O)O	585033606	FQZBNVPNDANOFP-PXAZEXFGSA-N	317.169	1.107	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CC(C)(C)OC(C)(C)C2)cn1	490978554	WNIQCLKFCYRHCQ-AWNIVKPZSA-N	302.378	1.743	50	20	DDGD	
COCCCN(CCOC)C(=O)[C@]1(C)C[C@H]1Br	906356733	ROYVMCHSWJPSDC-ZYHUDNBSSA-N	308.216	1.671	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C	496713532	DZZDREZTBAQITR-RYUDHWBXSA-N	315.414	1.241	50	20	DDGD	
COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)/C(C#N)=C/c1cnn(C)c1	491051671	TVNXWEKWZKXMHH-VFDYKNPMSA-N	316.361	1.127	50	20	DDGD	
CCC[C@@H](C)c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1	585000336	JXUWKMMWPHRIJN-SNVBAGLBSA-N	301.155	1.245	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1	731282843	XYGLKADKGCDKEZ-DZGCQCFKSA-N	321.377	1.274	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O	494657831	CKNMNJPSJXFSOL-UHFFFAOYSA-N	324.337	1.313	50	20	DDGD	
CC[C@@H]1C[C@H]1CNC(=O)NNC(=O)c1ccc(OC)cc1OC	836285133	GDDXUAOKMFHPNV-MNOVXSKESA-N	321.377	1.694	50	20	DDGD	
CC[C@H](C)[C@H](NNC(=O)c1c[nH]c2ccccc12)C(=O)OC	905747036	HPTACKZEQAMMQV-HZMBPMFUSA-N	303.362	1.990	50	20	DDGD	
CNS(=O)(=O)c1ccc(C(C)=NNC(=O)C2CCC2)cc1	731932708	QIQFRKNNXYVBPJ-UHFFFAOYSA-N	309.391	1.235	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ccc(C(C)C)cc2)n(C)n1	835973072	RZKOOVYBUWVBKY-UHFFFAOYSA-N	315.377	1.934	50	20	DDGD	
Cc1c(C#N)cccc1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	831570712	JTEBVPWMOWYLES-CMPLNLGQSA-N	302.334	1.444	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](c2ccccc2C)C1	732198788	FDTVKVYPNWIIFA-ZIAGYGMSSA-N	303.406	1.730	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cn2cc(C3CC3)cn2)c1	831894407	OGGCOLZHRKQBMW-UHFFFAOYSA-N	314.345	1.690	50	20	DDGD	
CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1cc(C)cc(C)c1	730433489	OEOWLMWSLDAFRG-AWEZNQCLSA-N	323.418	1.514	50	20	DDGD	
O=C(CCCn1cccn1)NNc1cccc(Br)n1	837210351	LQVFCPJYQMWLFR-UHFFFAOYSA-N	324.182	1.964	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2c(Cl)nc3ccccn23)cn1	735412141	NVVSQMNQBMIOHQ-UHFFFAOYSA-N	302.725	1.485	50	20	DDGD	
O=C(NCCc1ccc2c(c1)CCO2)NNC(=O)C1CCCC1	734068764	IXLWKSIBMZHRAP-UHFFFAOYSA-N	317.389	1.685	50	20	DDGD	
O=C(NCCCCn1ccnc1)NNc1ncc(F)cc1F	837783251	SMAOCPQXUSIQAL-UHFFFAOYSA-N	310.308	1.663	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCCO1)c1ccc2c(c1)CCC(=O)N2	834990051	XXQWYVDQPWPFKE-OAHLLOKOSA-N	315.373	1.981	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](c1ccccc1C)C1CC1	732894693	OXVYYTBLBWTQDQ-OAHLLOKOSA-N	305.378	1.813	50	20	DDGD	
Cc1cccc([C@@H]2C[C@H]2[C@@H](C)NC(=O)c2cccc(B(O)O)c2)c1	584933933	LZFJAJPNPLQGPK-BVGQSLNGSA-N	323.201	1.597	50	20	DDGD	
Cc1cc(Br)c(C=NNC(=O)CN(C)C)s1	834953681	CXRVAIVITYVQSC-UHFFFAOYSA-N	304.213	1.831	50	20	DDGD	
C[C@H]1C[C@H]1c1ccc(CNCc2ccc(B(O)O)cc2F)o1	585017361	VKPXYAMPUJTYEK-IINYFYTJSA-N	303.142	1.512	50	20	DDGD	
CC(C)Cc1ncc(NC(=O)NNC(=O)[C@@H]2CCCCO2)cn1	836579735	OLCZQUQAEMSGJD-LBPRGKRZSA-N	321.381	1.397	50	20	DDGD	
Cn1cc(CCC=NNC(=O)Nc2ccc3c(c2)OCO3)cn1	834983035	IKCYLBPHUAXYID-UHFFFAOYSA-N	315.333	1.889	50	20	DDGD	
Cc1cc(N)nc(S[C@H](C)C(=O)NNC(=O)CC(C)C)n1	731904229	IBTJHTSYKWGAOF-SECBINFHSA-N	311.411	1.041	50	20	DDGD	
O=C(COCC1CC1)NNc1ccc(Br)nc1	732836705	NQNVPTGTTBQJND-UHFFFAOYSA-N	300.156	1.714	50	20	DDGD	
O=C(c1coc(-c2c(F)cccc2F)n1)N1CC[C@@H](B(O)O)C1	585063646	DVAMDMUZMSRRME-MRVPVSSYSA-N	322.076	1.309	50	20	DDGD	
COc1cc(C(=O)NN=Cc2ncc[nH]2)ccc1OC(C)C	731152050	ZCEAEXMLBPSIMB-UHFFFAOYSA-N	302.334	1.969	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1)c1ccc[nH]1	916372064	NLODNPIHMFYVQH-UPJWGTAASA-N	306.410	1.600	50	20	DDGD	
Cc1ccccc1[C@H](CC(=O)NNc1cccnn1)NC(N)=O	736704044	HQKLEMJIRNWLQI-LBPRGKRZSA-N	314.349	1.028	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NNc1ccccc1C(=O)O	833535672	LMHASEBAOAYUIO-MNOVXSKESA-N	308.334	1.412	50	20	DDGD	
COc1cccc(CCNC(=O)NNC(=O)C(C)C)c1OC	918217131	FXHJWSUVWKPNLC-UHFFFAOYSA-N	309.366	1.233	50	20	DDGD	
O=C(NN=CC1CCCCCC1)N[C@H]1CCS(=O)(=O)C1	741839686	NCXVLNCNTXDPCD-LBPRGKRZSA-N	301.412	1.429	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](C)c2cnn(C)c2)c(F)c1	837206900	IEOURBKRZIDWNN-SECBINFHSA-N	320.324	1.593	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CCCc1ccccc1)c1cnn(C)c1	749970545	BSCPPKIRQYHMQJ-CYBMUJFWSA-N	314.389	1.694	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(C(=O)NN(C)C[C@H](C)O)cc1Cl	910151158	YUCXUAORPDKDNC-QMMMGPOBSA-N	301.730	1.514	50	20	DDGD	
CCOc1cccc(NC(=S)NNC(=O)c2cnccn2)c1	742982882	PTOUSCGEATUTCA-UHFFFAOYSA-N	317.374	1.507	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cc1)[C@H]1CCCS1(=O)=O	847600357	LVYVIGYDRDMUTE-SNVBAGLBSA-N	322.308	1.726	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(Cl)nc(C2CC2)c1	847285306	HHDWGEYJNHPMLS-UHFFFAOYSA-N	310.810	1.907	50	20	DDGD	
CCOc1ccc2c(c1)C(=NNC(=O)c1ncccn1)CCO2	841665377	LAISGBUUMLFAIT-UHFFFAOYSA-N	312.329	1.792	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNc1ccnc(N(C)C)n1	740104442	LBHLSPPAIRHDLY-GRYCIOLGSA-N	306.414	1.247	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)nn1	841412959	IDZBYLWLBKHMNT-UHFFFAOYSA-N	317.393	1.979	50	20	DDGD	
CCn1ccc(C(=O)NNC(=O)CCCc2ccccc2)n1	843541958	BXTXYUSEHDZAHX-UHFFFAOYSA-N	300.362	1.687	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cn1ccc2ccc(F)cc21	843775430	XFWQJHVCJCXSOJ-UHFFFAOYSA-N	322.340	1.147	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H]2CCCNCC2)cccc1[N+](=O)[O-]	841979126	QHFHSXDSUDPMCF-LLVKDONJSA-N	307.354	1.671	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=C2CCCn3ccnc32)cc1	848401354	YUHCLJHKKZGMAW-UHFFFAOYSA-N	309.329	1.448	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)C2=S=C3CCCC3=C2)s1	749329974	JKORNKLGQSVRHZ-UHFFFAOYSA-N	317.395	1.583	50	20	DDGD	
CC[C@H](CC(C)C)C(=O)NNc1ccccc1S(N)(=O)=O	842255416	CLBJXDIMPKNYQC-LLVKDONJSA-N	313.423	1.849	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccnn1C1CCCC1	843655724	WGBHSLDBZZMRBM-ZYHUDNBSSA-N	306.366	1.184	50	20	DDGD	
CC1CCN(C[C@@H](C)C(=O)NNC(=S)NC(C)(C)C)CC1	917572722	QNDQSSKYVCJDPD-GFCCVEGCSA-N	314.499	1.648	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)[C@@H]1[C@H]2CCCO[C@H]21	848321897	IGPZGWKVIVPGFJ-IWSPIJDZSA-N	313.155	1.107	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1cccnc1	843654706	JYJWUKJARRCPEV-BNOWGMLFSA-N	305.378	1.394	50	20	DDGD	
CC(=O)Nc1ccc(CNC(=O)NNC(=O)C2CCCC2)cc1	916247874	NVSKYWKZTYPSEH-UHFFFAOYSA-N	318.377	1.666	50	20	DDGD	
CC(C)(C)OC(=O)[C@@]1(C(=O)NNc2cnccn2)CC=CCC1	845954978	BAIJCBLVVWUJHN-INIZCTEOSA-N	318.377	1.988	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccnn2CC(C)C)c(O)c1	844131834	VCGWBXIFNIRXJO-UHFFFAOYSA-N	316.361	1.628	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)CC2CCC2)c1	745572750	FYAWRYBMBYCAEK-UHFFFAOYSA-N	304.346	1.489	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCCc2ccco2)c1	915907052	MHTSYVOYXOTPEA-UHFFFAOYSA-N	316.361	1.532	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)Cc1ccncc1	747671233	INEBGUZZXRTDDD-UHFFFAOYSA-N	316.386	1.651	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H](c1ccccc1F)N1CCOCC1	742477838	VLIXUJRZUOHISN-CQSZACIVSA-N	323.368	1.002	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)CN2[C@H](C)CC[C@H]2C)o1	746184762	MPOGOBFVGSHIEZ-GHMZBOCLSA-N	305.382	1.986	50	20	DDGD	
CCc1cc(CNC(=O)NNC(=O)c2ccccc2OC)on1	741275505	KIFNECMOFCGJEH-UHFFFAOYSA-N	318.333	1.390	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C[C@H](c1ccccc1)N(C)C	841391072	KZSUNCCIVZKYDW-CQSZACIVSA-N	315.377	1.172	50	20	DDGD	
CC(C)[C@H]1CCC[C@@H](NC(=O)NNC(=O)c2ncccn2)C1	841592655	VDFIUIMCKAQGQR-NWDGAFQWSA-N	305.382	1.635	50	20	DDGD	
CC(=O)Nc1ccc(O)c(C(C)=NNC(=O)[C@@H]2CCO[C@H]2C)c1	842554636	KGAHEAOYLZFUCC-GXFFZTMASA-N	319.361	1.616	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)NCC2CNC2)cc1	841964222	CUEUUUQKQBZIFA-UHFFFAOYSA-N	304.394	1.148	50	20	DDGD	
C[C@H](CCCCN)NC(=O)NNC(=O)c1ccc(Cl)cc1	841995042	LCAFWMQMQNSHJK-SNVBAGLBSA-N	312.801	1.802	50	20	DDGD	
C[C@]1(CNC(=O)NCCO[C@H]2CCOC2)C[C@H]1Br	923373970	QXTUKHZBAVSFTI-HOSYDEDBSA-N	321.215	1.265	50	20	DDGD	
CN1C[C@H](C(=O)NCCCSC#N)c2ccccc2C1=O	854359739	UJOHLCLGTHVPGB-ZDUSSCGKSA-N	303.387	1.576	50	20	DDGD	
COCCC(=NNC(=O)[C@H]1COc2ccccc2O1)C(C)C	756818764	BYWULHOPKHUVPM-OAHLLOKOSA-N	306.362	1.991	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)c1ccc(OC)c(OC)c1)C1CC1	858122498	HBMDXZFEYVXRCL-CQSZACIVSA-N	322.361	1.280	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)c2ccc(OC)c(OC)c2)O1	756901235	LEUJYYINFKHVPK-WCQYABFASA-N	322.361	1.422	50	20	DDGD	
C[C@H](CN(C)C(=O)NNC(=O)c1ncccn1)C1CCCCC1	858545520	FXFJLJMWRPQQPC-GFCCVEGCSA-N	319.409	1.979	50	20	DDGD	
O=C(/C=C/c1ccc(O)cc1)NNC(=S)NCC1CCC1	855089367	OAVGYZODFAESJH-RMKNXTFCSA-N	305.403	1.701	50	20	DDGD	
CC1CCN(C[C@H](C)C(=O)NN=Cc2ccc(CO)cc2)CC1	853279291	PHUGYWSMSAXXFR-HNNXBMFYSA-N	317.433	1.997	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1c(F)ccc(O)c1F	855089827	IBGCQOKMLBZWBP-UHFFFAOYSA-N	315.345	1.579	50	20	DDGD	
CN(CC1(O)CCC1)C(=O)NC[C@@]1(C)C[C@H]1Br	856953865	TUUHSEYEAUTLID-MWLCHTKSSA-N	305.216	1.716	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1	752726941	HQGKQUJDNAKPJK-UHFFFAOYSA-N	314.392	1.067	50	20	DDGD	
C[C@]1(CNC(=O)NCCC[C@H]2CCCN2)C[C@@H]1Br	857106567	QVXOEGBLFSRXQG-NTZNESFSSA-N	318.259	1.991	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCCn1ccccc1=O	754548787	GHXWQYSTTYPCDK-SDNWHVSQSA-N	310.309	1.704	50	20	DDGD	
CC1(CNC(=O)NNC(=O)c2nnc(O)c3ccccc23)CC1	753024862	RTJFACUNXCTNIQ-UHFFFAOYSA-N	315.333	1.080	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cccc3[nH]ncc23)nc1	759731584	WXGBBVTXPYERFX-UHFFFAOYSA-N	311.301	1.501	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1ncc(Cl)cn1)C1CCCC1	856921875	FSGUBGQLTVVBML-NSHDSACASA-N	313.789	1.961	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ncc[nH]2)c1	854185072	USENPEULHCWHIZ-UHFFFAOYSA-N	316.361	1.682	50	20	DDGD	
CC(=O)N/C(=C\c1ccccc1)C(=O)NCCCSC#N	854363219	QQLCZWJDSXZMKQ-UVTDQMKNSA-N	303.387	1.884	50	20	DDGD	
COCCCS(=O)(=O)NC[C@@]1(C)C[C@@H]1Br	856755313	UKNNAJYRHDCVQK-DTWKUNHWSA-N	300.218	1.116	50	20	DDGD	
CCC(=NNC(=O)CCN1CCCCCC1)c1ccn(C)n1	758084958	QGYHHQFDXOSNOO-UHFFFAOYSA-N	305.426	1.917	50	20	DDGD	
CCC(C#N)(CC)C(=O)OCC(=O)NNC(=O)c1cccs1	860196338	WCVGFMRWBVRDKO-UHFFFAOYSA-N	323.374	1.382	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)Cc2ccccc2F)CCC1=O	764200028	SAVJMMQECSHPIP-PWSUYJOCSA-N	306.337	1.521	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](C)OCc1ccc(C)cc1	862002765	ATDVLPRCXWIVEP-GFCCVEGCSA-N	316.361	1.842	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)CCc2ccccc2)c1C	865085561	INNAQPSSYFJCKM-UHFFFAOYSA-N	300.362	1.605	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2ccccc2S(C)(=O)=O)CCC1=O	764219667	QNKQAPOYJKZTTG-QWRGUYRKSA-N	324.402	1.539	50	20	DDGD	
O=C(NC[C@@H]1COCCN1)NNc1ccc(Cl)cc1Cl	861680833	LEAMAKNJTZFUCE-SECBINFHSA-N	319.192	1.608	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CCSc2ccccc2)n[nH]1	869013419	ZUQLFLWYJKDUKK-UHFFFAOYSA-N	318.402	1.590	50	20	DDGD	
COc1cccc(F)c1C(=O)NNc1ccnc(N(C)C)n1	761569807	SLNOSDUFWNBDFT-UHFFFAOYSA-N	305.313	1.447	50	20	DDGD	
O=C(NN=C1CCOC[C@@H]1CN1CCCCC1)c1cn[nH]c1	863153833	FJSKKFKNRHVDHQ-ZDUSSCGKSA-N	305.382	1.018	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NNc1cccc([N+](=O)[O-])c1	766277072	COVBMJBGJQVGME-NEPJUHHUSA-N	321.337	1.136	50	20	DDGD	
CCNC(=O)NNC(=O)c1ncc(C(F)(F)F)cc1Cl	930731655	IKJCWXNMDUEULK-UHFFFAOYSA-N	310.663	1.718	50	20	DDGD	
C[C@@H]1CCN(S(=O)(=O)CC(C)(C)CCl)CC[S@]1=O	867191238	LVWPONJVWHLFQK-BMLIUANNSA-N	315.888	1.424	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@H]2CCN2C(C)(C)C)c1	862992069	BLZQPOCNJXFLTP-CQSZACIVSA-N	318.421	1.386	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)CNc2ccccc2)c(C)n1	863852882	GSUZUNRKLFXZBR-UHFFFAOYSA-N	301.350	1.085	50	20	DDGD	
CCCCCn1nc(C)cc1NC(=O)C(=O)NNC(=O)C(C)C	763817613	RCVGAMXULSAUPP-UHFFFAOYSA-N	323.397	1.124	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)C[C@]1(C)CC1(Cl)Cl	867118572	SREXCZXWJJIWDO-QMMMGPOBSA-N	318.226	1.066	50	20	DDGD	
Cc1cc(=NNC(=O)c2cn(CC(F)(F)F)nc2C)cc[nH]1	862512863	JCSRQDQDTGWGRX-UHFFFAOYSA-N	313.283	1.636	50	20	DDGD	
CCn1c(O)nc2cc(C(=O)NN[C@@H](C)C(F)(F)F)ccc21	862321887	FRYXYNRXSCBTMZ-ZETCQYMHSA-N	316.283	1.947	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1cnn(C2CC2)c1	860197342	UNDGVAWIZXMMOP-UHFFFAOYSA-N	320.374	1.378	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)c2ccc(CC)cc2)nn1	766293145	KUCBTNIKYWYDLG-UHFFFAOYSA-N	301.350	1.325	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccc2c(c1)OCCO2	763486885	ZNPDMHPAAHLBQJ-UHFFFAOYSA-N	317.305	1.405	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@H]2CCCc3cccnc32)c1	766610070	YRHZWRHUCRMKOI-HNNXBMFYSA-N	320.352	1.834	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2CCCNC2=O)c(C)c1	873760681	VIRFSBTWISUQBI-NSHDSACASA-N	320.418	1.147	50	20	DDGD	
CCCCCC(C)(C)CNC(=O)NNC(=O)C1CCNCC1	1117965111	KQXJDNKNICQXJA-UHFFFAOYSA-N	312.458	1.923	50	20	DDGD	
Cn1nc2c(c1C(=O)NNc1cnc3ccccc3n1)CCCC2	774778574	BKAHOXLJIUKLHF-UHFFFAOYSA-N	322.372	1.999	50	20	DDGD	
C#CCOCCC(=O)NNC(=S)Nc1ccc(C)cc1C	873759619	ZBNMRCILEWXYNA-UHFFFAOYSA-N	305.403	1.661	50	20	DDGD	
COC(=O)N(C)NC(=O)NC1CC(OCc2ccccc2)C1	875499517	YMBOBDXDQOAKCN-UHFFFAOYSA-N	307.350	1.647	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1ccc(OC(C)(C)C)nc1	778797437	ZVWRWNKWRNCEAP-UHFFFAOYSA-N	308.382	1.745	50	20	DDGD	
C#C[C@H](NC(=O)NNc1cccc([N+](=O)[O-])c1C)[C@@H]1CCCO1	776228088	OIKJVMXUHDVTRR-FZMZJTMJSA-N	318.333	1.710	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)Cc2nonc2C)c(C)c1	873760803	KHBGDKXOIBLGGQ-UHFFFAOYSA-N	319.390	1.555	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1CCCN(c2ccccc2F)C1	875435312	UUQYHQVKLMNPTP-NSHDSACASA-N	324.356	1.707	50	20	DDGD	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C=NNC(=O)CO	776781067	WPWYMUJCHPACJD-UHFFFAOYSA-N	324.743	1.475	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)Cc1ccc(CC)cc1	772146710	SDAHAAJXKOQQBZ-NSHDSACASA-N	306.362	1.281	50	20	DDGD	
COc1cc(C(=O)NNc2ccc(OC(F)F)cc2)nn1C	773458121	CFGWRNODGUMADH-UHFFFAOYSA-N	312.276	1.787	50	20	DDGD	
NC(=O)NCc1cn([C@@]2(Cl)C[C@H]2CCBr)nn1	881384021	YPCYFMSVCYMCAE-MUWHJKNJSA-N	322.594	1.143	50	20	DDGD	
C=CCOc1ccc(CC(=O)NNC(=O)C2CCOCC2)cc1	883071274	UFNFZEBHXDRFOI-UHFFFAOYSA-N	318.373	1.368	50	20	DDGD	
C[C@@H](CCc1ccccc1F)C(=O)NNC(=O)C1CCOCC1	883064774	NVUVLUDOWIHNDN-LBPRGKRZSA-N	322.380	1.968	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(Cl)cc1F)c1nnnn1C	1123741861	JLXUHYSDDRMVFN-LURJTMIESA-N	313.724	1.390	50	20	DDGD	
N#Cc1ccc(NNC(=O)N[C@@H]2CCN(CC3CC3)C2)nc1	888316211	OBJQSYWNUGOIBI-CYBMUJFWSA-N	300.366	1.064	50	20	DDGD	
CC(C)C(=O)N[C@@H](CO)C(=O)NNc1ccc(Cl)cc1F	885106850	KMTRQJOHCVQMFX-NSHDSACASA-N	317.748	1.055	50	20	DDGD	
CS(C)(=O)=Nc1ccc(NC(=O)NNC(=O)C2CC2)cc1	888240098	YIRAHWMJPJLMGH-UHFFFAOYSA-N	310.379	1.608	50	20	DDGD	
Cc1ccc(C[C@H](C)NC(=O)NNC(=O)c2cccnn2)s1	883438693	ZNSSKALAGPVJQL-VIFPVBQESA-N	319.390	1.422	50	20	DDGD	
C#CCCCC(=O)NNC(=O)/C=C\c1ccc(OC)c(O)c1	887147060	WGVKHWLBXUDOJL-NTMALXAHSA-N	302.330	1.365	50	20	DDGD	
COC[C@@H](CNC(=O)NNc1ccc(Cl)c(OC)c1)OC	789166691	HHUHWWZOYVCLSA-SNVBAGLBSA-N	317.773	1.636	50	20	DDGD	
O=S(=O)(CCCCl)N[C@H]1CCO[C@@]2(CCSC2)C1	882002116	YTWGEPVMCFSOGQ-QWRGUYRKSA-N	313.872	1.589	50	20	DDGD	
CS[C@@H](CNC(=O)NNC(=O)c1cnn(C)c1)C(C)(C)C	784476988	PMFRROAMZNWUOU-JTQLQIEISA-N	313.427	1.142	50	20	DDGD	
NC(=O)CCCC(=O)NNC(=O)Cc1ccc2ccccc2c1	787879222	OEXBHUOXMWIURF-UHFFFAOYSA-N	313.357	1.185	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cccc(C(F)F)c2)ncn1	783948452	NUZPIEOUWXVRII-UHFFFAOYSA-N	321.287	1.804	50	20	DDGD	
COC(=O)c1ccc(/C=C(\C#N)C(=O)[C@@H]2CCCOC2)n1C	899372347	NYLCQHJPXSDSQI-OYGDSYQHSA-N	302.330	1.714	50	20	DDGD	
Cc1c(NNC(=O)NCCN2CC[C@@H](C)C2)cccc1[N+](=O)[O-]	897433256	SZFPQMJEMFRMSC-LLVKDONJSA-N	321.381	1.871	50	20	DDGD	
COc1ccc2nc(C=NNC(=O)N3CCOCC3)sc2c1	788713270	VYSGFLLKDKOTIN-UHFFFAOYSA-N	320.374	1.681	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C1(SC)CCC1	786637606	PLGSVEHLTAJWER-UHFFFAOYSA-N	324.402	1.507	50	20	DDGD	
O=C(CC1CCCC1)NN=Cc1cn(Cc2cccnc2)nn1	783836377	ZDOFDLSPQKRHKN-UHFFFAOYSA-N	312.377	1.752	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCCc1ccc(OC)c(OC)c1	897290102	UMQWFEVOHLEHPA-UHFFFAOYSA-N	323.393	1.719	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(C#N)c[nH]2)c2ccccc2n1	799006983	OSOZOMAGKUMQNH-UHFFFAOYSA-N	319.324	1.818	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cn2c(n1)CCCC2	799334460	ZTUZPYDUPGFPMH-UHFFFAOYSA-N	314.345	1.303	50	20	DDGD	
CC(=NNC(=O)Cn1ccc2ccccc21)c1ccc(O)nn1	790161276	DLOJGZQEQJTLDX-UHFFFAOYSA-N	309.329	1.677	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)c1cc(Cl)ccc1O	794901685	IYVKFXMRPXBTNH-UFBFGSQYSA-N	314.769	1.868	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)C1CCC(O)CC1	792238730	WVHJRXGQLBTTIC-UHFFFAOYSA-N	312.391	1.084	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C/C=C\c1ccc(F)c(F)c1	794882219	ZKGNZLIINHIGKI-HZZFLGHQSA-N	307.300	1.702	50	20	DDGD	
COCCOC[C@H]1CCN(C(=O)NCCSSC)C1	790880445	JMGCKNMQUCCVIT-NSHDSACASA-N	308.469	1.692	50	20	DDGD	
CC[C@H](C(=O)NNc1ccc(Cl)c(OC)c1)C(=O)OC	790178305	YQKSECPKDZTWEG-SECBINFHSA-N	300.742	1.991	50	20	DDGD	
CC[C@H]1C[C@@H](CC(=O)NNC(=O)c2cccc(C)n2)CCO1	794076527	PYIJBMVRQLIVCK-STQMWFEESA-N	305.378	1.746	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(O)ccc1C(F)(F)F	793221222	YBCIUZXVXVPJSZ-UHFFFAOYSA-N	305.256	1.765	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])[C@@]1(F)CCOC1	1323091924	YQBHLNZBDQMSOA-LLVKDONJSA-N	303.677	1.820	50	20	DDGD	
COC(=O)C(=O)NNC(=O)NCC[C@H]1C[C@@H](C)CC(C)(C)C1	1324758968	NZDHTEHQPZVYIX-MNOVXSKESA-N	313.398	1.342	50	20	DDGD	
COCCCN(CCI)CCOC	190828799	YWGOAUVRDISETQ-UHFFFAOYSA-N	301.168	1.406	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)OCCOC(=O)N(C)C)cc1	1338250425	HUMMVIPNXYMRSR-JLHYYAGUSA-N	318.329	1.844	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H](C)N1[C@@H](C)CC[C@H]1C)C1CC1	1330878310	CCGKPYYDPLZERS-WHOHXGKFSA-N	312.483	1.542	50	20	DDGD	
CC[C@@H](C)n1nccc1C(=O)NNC(=S)N[C@@H](C)C1CC1	1347808012	DFCRDLDFUCSVIC-ZJUUUORDSA-N	309.439	1.762	50	20	DDGD	
Cc1ncccc1CC(=O)NNC(=O)c1ccc(Cl)nc1	1345378948	XZACDVBACDETDY-UHFFFAOYSA-N	304.737	1.442	50	20	DDGD	
CNS(=O)(=O)[C@H]1CCCN(C(=O)C2CCC(Cl)CC2)C1	1520995963	XSWRRDIFUXSTLZ-MCIGGMRASA-N	322.858	1.324	50	20	DDGD	
Cc1oc(-c2nn[nH]n2)cc1C(=O)NNc1ccc(F)cc1F	1609468139	HJLZABPPDPPPTE-UHFFFAOYSA-N	320.259	1.803	50	20	DDGD	
Cn1nc(C2CC2)nc1/C(C#N)=C/c1cccc(-c2nn[nH]n2)n1	1606267758	BSWVUKRXSGQUMB-JXMROGBWSA-N	319.332	1.332	50	20	DDGD	
CC(C)N(C)C[C@H](C)NC(=O)NNc1cccc(C(=O)O)c1	1603869505	TUVJJCOXNVGDSZ-NSHDSACASA-N	308.382	1.740	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1CC2	1601252911	MESFBKDZEXNRJM-VIRABCJISA-N	320.389	1.627	50	20	DDGD	
O=C(NCc1cccc(F)n1)NNc1ccc(C(=O)O)c(F)c1	1608470647	SOMMGZUKFRUNKF-UHFFFAOYSA-N	322.271	1.884	50	20	DDGD	
O=C(O)c1ccc(Br)c(NNC(=O)[C@@H]2C[C@@H]2F)c1	1608870764	NOLGCEPHZVRXSI-SVRRBLITSA-N	317.114	1.948	50	20	DDGD	
CC1(N2CCCC2)CCC(=NNC(=O)[C@H]2CNC(=O)C2)CC1	1552923858	LJIYMKTUTXVBHI-ZGTOLYCTSA-N	306.410	1.023	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H]2C[C@@H](C(=O)O)C2)cc(C#N)n1C	1574297854	JSURCWHUNDDNEC-INVZXCPUSA-N	312.329	1.092	50	20	DDGD	
CCOCc1nc(Cl)cc(NNC(=O)N[C@@H](C)CCN)n1	1578127041	KSEHJOIZOXCCMD-QMMMGPOBSA-N	316.793	1.030	50	20	DDGD	
C[C@]1(CC(=O)NNC(=O)NC2CCNCC2)CC1(Cl)Cl	1576501933	INYNPDFZHSUACV-NSHDSACASA-N	323.224	1.043	50	20	DDGD	
COCCC(=O)N1CCCC12CN(C(=O)C(C)(C)CCl)C2	1842771683	XMRKMWAIFVGFCU-UHFFFAOYSA-N	316.829	1.491	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1csnc1C	1599378142	SHUOWAXWKPULSC-UHFFFAOYSA-N	307.331	1.915	50	20	DDGD	
O=C(/C=C/C1CC1)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846386654	KCFDGSIYUATSNU-SNAWJCMRSA-N	317.216	1.960	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)[C@@H]1C	1590334793	LZSHURSOMUTLFR-BSTOTGJRSA-N	316.365	1.369	50	20	DDGD	
CCCN1C[C@H](C(=O)NNc2ccc(C(=O)O)c(F)c2)CC1=O	1595896782	QDFIWYZJQZWXCR-SECBINFHSA-N	323.324	1.226	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1594641868	CKUFCURKSHPFRV-WPRPVWTQSA-N	313.379	1.005	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cnc(C2CC2)o1	1593166993	FAWOHIUWUHTFQZ-UHFFFAOYSA-N	311.305	1.489	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1c(F)cc(C(=O)O)cc1F	1777033700	AEULNGRWHRUGSB-YVMONPNESA-N	316.285	1.419	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1nc(Cl)cs1	1593167759	QJDMEXUHWLSEMI-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)C1(C(=O)O)CCCCCC1	1594782556	BOUJPQZZENKWOS-UHFFFAOYSA-N	320.349	1.081	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(Cl)c(-c2nn[nH]n2)c1	1590749219	YUQXTNDWRXMIFI-FPLPWBNLSA-N	318.724	1.903	50	20	DDGD	
CO[C@H](CNC(=O)NNc1cccc(C(=O)O)c1C)C1CC1	1599051589	ZCTSLISPZHWCQH-CYBMUJFWSA-N	307.350	1.744	50	20	DDGD	
O=C(O)c1cnc(Cl)cc1C=NNC(=O)[C@@H]1CCCCO1	1776077669	PKDPFIWJIYZWEU-JTQLQIEISA-N	311.725	1.452	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNC(=O)Cc1ccc(F)cc1	151136862	YUDBGGDXEWBBDQ-UHFFFAOYSA-N	323.368	1.164	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ccccc1)N1CCCS1(=O)=O	151327145	UOWQOLUNFLGGGI-CYBMUJFWSA-N	311.407	1.190	50	20	DDGD	
COCCC1(C(=O)NNc2nc(C)cc(OC)n2)CCCC1	151518064	FXCAJGTZWYILSR-UHFFFAOYSA-N	308.382	1.834	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N[C@@H]1C=CCCC1	153024594	AMCLPRISIXINQK-GFCCVEGCSA-N	313.361	1.695	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)[nH]1	157529324	SJUMPRMUYMNDKW-NSHDSACASA-N	319.336	1.999	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNc1ccncc1Cl	154702448	HHRVBXIJDWLYFF-GFCCVEGCSA-N	310.785	1.969	50	20	DDGD	
CCCN1CCC(N(C)S(=O)(=O)CBr)CC1	126712165	OQYHCUHYKLFHLW-UHFFFAOYSA-N	313.261	1.475	50	20	DDGD	
CN(Cc1cn(C)nn1)S(=O)(=O)c1ccc(CCl)cc1	689215792	KVBIMQLPRSDXPA-UHFFFAOYSA-N	314.798	1.375	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)NC1CCCCC1	58176946	XVFFCQUZPVKQDC-UHFFFAOYSA-N	307.350	1.434	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C2(N(C)C)CCC2)cc1	119508531	IEQDLMYOHDVNRR-UHFFFAOYSA-N	305.378	1.006	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)c2cc3ccccc3o2)CCO1	176533424	VVPUJLATDAULBU-UHFFFAOYSA-N	317.345	1.898	50	20	DDGD	
O=C(NCCc1nccs1)NNC(=O)c1ccccc1F	51337984	RKFKFEXXWCROFA-UHFFFAOYSA-N	308.338	1.469	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C2CCOCC2)c1	60666831	PFXPOISNEIYPIE-UHFFFAOYSA-N	306.362	1.256	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)c1cnn(C)c1)c1cccc(Cl)c1	176629502	VYWIQROCYOMBCM-UXBLZVDNSA-N	318.764	1.938	50	20	DDGD	
COc1ccsc1C(=O)NNC(=O)c1ccc(C#N)cc1	106020108	HBLLTDRHLYVGSZ-UHFFFAOYSA-N	301.327	1.703	50	20	DDGD	
CNC(=O)NNC(=O)c1cccc(OCc2csc(C)n2)c1	56375645	PXGZNKZFEQLHKE-UHFFFAOYSA-N	320.374	1.604	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)N[C@H]1CCCOCC1	179635441	AKUPRDPYVFSODT-LBPRGKRZSA-N	317.345	1.946	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1C[C@H](C)O[C@H](C)C1	67482840	DAGPLLDXKMEXNY-PHIMTYICSA-N	307.350	1.159	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1sccc1OC(F)F	110760231	LTFUDXXZWJAOLT-UHFFFAOYSA-N	316.289	1.456	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1ccc2[nH]c(=O)[nH]c2c1	172442449	JVDILKKUSZLOFC-UHFFFAOYSA-N	304.697	1.057	50	20	DDGD	
C[C@@H]1SCCN(C(=O)NNC(=O)c2cccc(C#N)c2)[C@@H]1C	118480297	NGSAOSMTMOKYFB-MNOVXSKESA-N	318.402	1.738	50	20	DDGD	
O=C(CCC1CCC1)NNC(=O)c1ccc2c(c1)OCCO2	175432621	OMQUBYUEAXKTDM-UHFFFAOYSA-N	304.346	1.799	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CCc1nc(-c2ccsc2)no1	63269972	KQOQCBQVVVSLLI-UHFFFAOYSA-N	323.378	1.470	50	20	DDGD	
O=C(/C=C/c1ccco1)NNC(=O)COCc1ccccc1	124372452	UHWXJBBZPNJTBM-CMDGGOBGSA-N	300.314	1.657	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)N[C@H]1CCC[C@H]1CCO	188419900	PPNAUGNNPKAATQ-JSGCOSHPSA-N	323.368	1.250	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)c2ccc[nH]2)cnn1-c1ccccc1	183298693	OUPPMBRAQRPTQH-UHFFFAOYSA-N	324.344	1.975	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2)N(C)C	126326136	SNXBTWIHUHAMQL-CMPLNLGQSA-N	323.462	1.974	50	20	DDGD	
Cc1cc(NNC(=O)COCCc2ccccc2)nc(C)n1	128639848	CFBNHTXOYOUHJR-UHFFFAOYSA-N	300.362	1.796	50	20	DDGD	
CC[C@H](C)Oc1cc(C(=O)NNC(=O)c2ccc[nH]2)ccn1	183480441	ZSHGBKHIIWXNMB-JTQLQIEISA-N	302.334	1.662	50	20	DDGD	
O=C(CO)NNC(=O)CCc1cccc(OC2CCCC2)c1	180948987	LZNWIZUSIZTPBU-UHFFFAOYSA-N	306.362	1.080	50	20	DDGD	
COc1cccc(CC(=O)NNC(=O)c2ccc(Cl)nc2)c1	77248633	DLOKQEGASGJCGS-UHFFFAOYSA-N	319.748	1.747	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)c2cc3c(s2)CCCCC3)N1	127568817	XECUFGINKCNDGL-JTQLQIEISA-N	321.402	1.057	50	20	DDGD	
O=C(CCN1C(=O)COc2ccccc21)NNc1ccncc1	180470205	WZCIDKHDUCWYAI-UHFFFAOYSA-N	312.329	1.340	50	20	DDGD	
NC(=O)[C@H]1CC[C@@H](C(=O)NNc2ccccc2C(F)(F)F)O1	188999083	KCPFZWLDZDZQGR-ZJUUUORDSA-N	317.267	1.181	50	20	DDGD	
O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNc1ccccc1	70717208	SDYRTYWIHYDMJV-KBPBESRZSA-N	315.373	1.695	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2ccc(C)cc2O)nc1	184269897	XXZGSWNKLXXOTQ-UHFFFAOYSA-N	300.318	1.871	50	20	DDGD	
CC[C@H](C(=O)NNc1ccc(C(N)=O)nn1)c1ccc(F)cc1	131397393	AGLIIBNWRLFGAW-NSHDSACASA-N	317.324	1.352	50	20	DDGD	
CCS(=O)(=O)C[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(F)cc1	182978161	HGJDRUIIYOALKP-JYVXZMADSA-N	324.377	1.672	50	20	DDGD	
C[C@H](CBr)CN1CCN(c2cnn(C)c2)C(=O)C1	133870935	NHNGFCQDFMETAL-SNVBAGLBSA-N	315.215	1.100	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(C#N)cc2)c(O)c1C	130161322	KICMZHZVSJCTDZ-UHFFFAOYSA-N	309.325	1.956	50	20	DDGD	
CCc1nn(C)c(CC)c1CC(=O)NNc1nccnc1OC	191361326	JNNBGQJWQCNXAJ-UHFFFAOYSA-N	318.381	1.029	50	20	DDGD	
CN(C)C(=O)NNC(=O)COc1cccc(Br)c1	194471213	VEQOURHUGOUBJQ-UHFFFAOYSA-N	316.155	1.130	50	20	DDGD	
C[C@@H](CBr)CN1CCC[C@H](CS(C)(=O)=O)C1	381575224	YEMVGFRJZCYHEF-QWRGUYRKSA-N	312.273	1.774	50	20	DDGD	
CCCc1csc(NC(=O)C(=O)NNC(=O)[C@@H](C)CC)n1	193288743	OOFPKGQHUAHWDZ-QMMMGPOBSA-N	312.395	1.228	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)COCc1ccccc1	194775182	AUCIJAZVUIQTQF-UHFFFAOYSA-N	312.369	1.983	50	20	DDGD	
COc1ccc(CNC(=O)NNc2nc(C)cc(C)n2)cn1	45375856	GVIOEWSGWLOHBF-UHFFFAOYSA-N	302.338	1.323	50	20	DDGD	
O=C(NNC(=O)c1ccccc1OCC1CC1)c1ccncc1	195452730	NJNMTVXSCPLEGH-UHFFFAOYSA-N	311.341	1.945	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1	133978408	FAUDFBXEJOVMOP-ZDUSSCGKSA-N	320.349	1.829	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)C(=O)NNc1cccc(C(F)(F)F)c1	80064535	BVGLXZNFCCERRW-QMMMGPOBSA-N	324.324	1.829	50	20	DDGD	
CN1C[C@@H](C(=O)NNc2ccc(OC(F)(F)F)cc2)CC1=O	134286818	AVRWRVLJMKRDKK-QMMMGPOBSA-N	317.267	1.507	50	20	DDGD	
C[C@@H](Cc1cccc(F)c1)C(=O)NNC(=O)Cc1ccncc1	81027762	AIPNJRCIEXSCRX-LBPRGKRZSA-N	315.348	1.789	50	20	DDGD	
O=C(CCc1cscn1)NNC(=O)c1cccc([N+](=O)[O-])c1	195123755	IVZWRBRPYLTJRJ-UHFFFAOYSA-N	320.330	1.445	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC(c2cccc(F)c2)=NO1)c1ccc[nH]1	192899643	FGOICZCWBRWZNL-CYBMUJFWSA-N	316.292	1.108	50	20	DDGD	
O=C(CN1CCCCC1=O)NNC(=O)c1ccccc1Cl	97262343	YMQPGEFZRBCNCA-UHFFFAOYSA-N	309.753	1.114	50	20	DDGD	
O=C(CSCC(F)(F)F)NNC(=O)NCc1ccco1	90370454	UIEJPLISOSAIIU-UHFFFAOYSA-N	311.285	1.406	50	20	DDGD	
CSCCNC(=S)NNC(=O)CCCc1ccccn1	91821716	CKOBORVIBQSDGJ-UHFFFAOYSA-N	312.464	1.263	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1Br)[C@H]1CCCN1	237708079	DSEFATUWGBKSDW-SECBINFHSA-N	320.137	1.922	50	20	DDGD	
Cc1ccc(C2(C(=O)NNC(=O)C3CC3)CCOCC2)cc1	264772201	PJLRMTCEDPMSJN-UHFFFAOYSA-N	302.374	1.601	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCCCO2)c2ccccc2n1	269380413	HBPGAKCWNROSOI-OAHLLOKOSA-N	313.357	1.873	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cnc(O)c(Br)c1	266056516	BPGWFHKSXFJCDO-UHFFFAOYSA-N	314.139	1.111	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC2CC2)cc1Br	266935634	OQBTZFUOSQOFQJ-UHFFFAOYSA-N	312.167	1.864	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)Cc1ccc(C(C)(C)C)cc1	268755590	ZSNOKEDDWUDLHW-UHFFFAOYSA-N	319.405	1.199	50	20	DDGD	
C=C(C)CN1CCC(NC(=O)NNC(=O)c2ccccc2)CC1	264361165	GPUIXQNYBYMMHT-UHFFFAOYSA-N	316.405	1.671	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)CCc2ccc(OC)cc2)O1	268232380	LTDFMKXGZWZODG-ZFWWWQNUSA-N	320.389	1.733	50	20	DDGD	
CC(=O)NNC(=O)c1cc2sc(N3CCCC3)nc2s1	279517510	AWQQXHCHSRXMDT-UHFFFAOYSA-N	310.404	1.739	50	20	DDGD	
CCOc1c(Cl)cccc1CC(=O)NNC(=O)NC1CC1	276833891	OCROQQPVNYOZRR-UHFFFAOYSA-N	311.769	1.774	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NC[C@H]1CCSC1	279508814	JFFIEPATTBABRV-CYBMUJFWSA-N	323.418	1.287	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1	272447637	BUNQTFMVRQNXFT-UHFFFAOYSA-N	315.276	1.880	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)NNC(=O)c1ccc[nH]1	276898021	DMLVRMCFUSRPMJ-UWVGGRQHSA-N	324.381	1.325	50	20	DDGD	
CC(=O)CSCC(=O)NNc1nnc(-c2ccccn2)s1	279340905	RXUXVBYYHMPUAP-UHFFFAOYSA-N	323.403	1.365	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2C[C@H](C)OC(C)(C)C2)n1	279672980	NNICGFOTBHMZDW-NSHDSACASA-N	306.366	1.244	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2CCO[C@H](C(C)C)C2)n1	271539055	PEWJECFQPSMAPR-OLZOCXBDSA-N	307.398	1.923	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)[C@H]1COCCN1C1CCCC1	367481300	SMFUETCMKNTKGR-OAHLLOKOSA-N	323.437	1.358	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnc(OCC)c(Cl)c1	271352361	LNWNRLHDWDKOAE-UHFFFAOYSA-N	300.746	1.440	50	20	DDGD	
COC1CCC(N(C)CC(=O)NNC(=O)c2ccccc2)CC1	272303812	QUSTUJANKKTVHF-UHFFFAOYSA-N	319.405	1.337	50	20	DDGD	
Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N1CC=C(C#N)CC1)C2=O	273960834	ZFIMWJAEMTYVOP-GFCCVEGCSA-N	323.352	1.662	50	20	DDGD	
COC(=O)c1cc2cc(NC(=O)NNC(=O)C3CC3)ccc2o1	274151174	ZCMGGTWEOVBSEJ-UHFFFAOYSA-N	317.301	1.782	50	20	DDGD	
COC(=O)c1cccc(S(=O)(=O)N2CC=C(C#N)CC2)c1	272717727	DRPHWIPUQVQZQA-UHFFFAOYSA-N	306.343	1.318	50	20	DDGD	
CC[C@H]1CCCC[C@H]1C(=O)NNC(=O)C(=O)Nc1ccccn1	279864639	KUNCPFXKLNIOCK-NWDGAFQWSA-N	318.377	1.384	50	20	DDGD	
CCOC(=O)C1CCN(C(=O)[C@@H](C)N2CC=C(C#N)CC2)CC1	272685222	SPSZIYILJGVIGI-CYBMUJFWSA-N	319.405	1.332	50	20	DDGD	
O=C(NCCC(=O)OC1CCCCC1)NNc1cccnn1	282980417	PNOIVOYCEVXQRU-UHFFFAOYSA-N	307.354	1.369	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)CCCc1ccccc1	285449244	YIMWOFHBEWHVRP-ZIAGYGMSSA-N	318.373	1.356	50	20	DDGD	
CCOC(=O)N1CC[C@H](NC(=O)NNc2ncccc2F)C1	286736894	IFQCTYMQRAZGHN-VIFPVBQESA-N	311.317	1.078	50	20	DDGD	
CSSCCNC(=O)c1ccc2nc(O)c(O)nc2c1	285593769	FHWBDJOTSDAEAO-UHFFFAOYSA-N	311.388	1.782	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNC(=O)CSc1ccccc1OC	285838160	PALBIEDHBVNZAG-HNNXBMFYSA-N	321.402	1.875	50	20	DDGD	
O=C(NCC1=CCCOC1)NNC(=O)c1cc2ccccc2o1	287837420	BHBXYOKDIHHMRB-UHFFFAOYSA-N	315.329	1.724	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)NCC(F)(F)F)c1C	281223968	MJUIMLCABJYIQB-UHFFFAOYSA-N	307.276	1.026	50	20	DDGD	
Cc1cnn([C@@H]2CCN(S(=O)(=O)CCCCCl)C2)c1	289441267	FAMCNSHLSQXGRO-GFCCVEGCSA-N	305.831	1.787	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NNc1nc(C)cc(OC)n1	281727570	FRCMAJKCDKPRRP-WCQYABFASA-N	321.381	1.401	50	20	DDGD	
COc1c(C)cc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1C	294296303	QPIUGLINHSVQAW-AAEUAGOBSA-N	306.362	1.641	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)COC(F)F)cc1F	803179528	ONSFOWYFKMEQHG-UHFFFAOYSA-N	323.296	1.391	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)[C@H]2CC2(F)F)cc1	296084832	PMBDTUHZQMMFSJ-SNVBAGLBSA-N	319.333	1.035	50	20	DDGD	
O=C(NCCSc1ccccc1)NNC(=O)[C@H]1CCCCO1	296155962	JZBUKBNSHUXHHR-CYBMUJFWSA-N	323.418	1.678	50	20	DDGD	
CC(C)O[C@H]1C[C@@H](NC(=O)NNc2ncncc2F)C1(C)C	293209050	ZXOCCZMRAVVMNY-MNOVXSKESA-N	311.361	1.834	50	20	DDGD	
COc1ccccc1C1(C(=O)NNC(=O)NC2CCCC2)CC1	299535344	UUDMNDQXWNOXON-UHFFFAOYSA-N	317.389	2.000	50	20	DDGD	
C[C@H]1CSC[C@H]1NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	807475611	IEVYVVHHZVCJDN-GZMMTYOYSA-N	324.362	1.290	50	20	DDGD	
CC(=O)CCc1ccc(O[C@H](C)C(=O)NNc2nnc[nH]2)cc1	294054750	XHTKWTMNZYLIMB-LLVKDONJSA-N	317.349	1.237	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNc1ccc(Br)nc1	806846358	LJTNDLHKHRCNQQ-UHFFFAOYSA-N	324.182	1.870	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNc1oc(C(C)C)nc1C#N	809639907	RAPWEQRGGWCRIF-VIFPVBQESA-N	308.338	1.702	50	20	DDGD	
CSSCCNC(=O)N1CCC(N(C)C(C)=O)CC1	807233325	CPRXQYBUQVUHEX-UHFFFAOYSA-N	305.469	1.650	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)COc1ccc(C)cc1)OC	291535797	UAEREIYDYWJBMV-GFCCVEGCSA-N	309.366	1.129	50	20	DDGD	
O=C(NNc1cccc(F)n1)Nc1ccc(-n2nccn2)nc1	806211758	HAMOVCBROANLRK-UHFFFAOYSA-N	314.284	1.345	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(Oc2cccnc2)cc1	808895601	PQCNUMKKHLQRHM-UHFFFAOYSA-N	316.317	1.673	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC[C@H](CO)CC1	294382214	CLHKYECCLLOXCV-QTNMRXCUSA-N	300.358	1.920	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)CCn1cnccc1=O	293497484	BGOMXQCRBREKJH-UHFFFAOYSA-N	300.362	1.648	50	20	DDGD	
Cc1nn(C)c2ncc(C(=O)NN(C)C(=O)OC(C)(C)C)cc12	297540538	DYVMUSBWFFQJSY-UHFFFAOYSA-N	319.365	1.788	50	20	DDGD	
O=C(O)CCCNC(=O)NNC(=O)Cc1ccc(Cl)cc1	819443211	PPDIEKPWFGKFTR-UHFFFAOYSA-N	313.741	1.078	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)c2cc(Cl)ccc2O)cn1	814777399	UKPYHDPQGVXMJK-UHFFFAOYSA-N	319.752	1.666	50	20	DDGD	
C[C@@H]1C(=NNC(=O)c2cnccn2)CC[C@@H](C(=O)O)C1(C)C	814793470	GFKLUAHRLPLYNM-ZJUUUORDSA-N	304.350	1.719	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)c2cc(F)c[nH]2)cc1	815393499	ZHSRBKDBTUUIQS-UHFFFAOYSA-N	319.292	1.080	50	20	DDGD	
CCNC(=O)NCCNC(=O)[C@H](Br)C(C)(C)C	817246089	HHSLSRSJRCVUQQ-QMMMGPOBSA-N	308.220	1.231	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=C1CCCOc2ccc(F)cc21	814957897	SXSZZMTUDNGQBU-UHFFFAOYSA-N	302.309	1.784	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@H]1C[C@@H](O)C1	822490829	SXSKRDRMVNLNKY-ATZCPNFKSA-N	312.753	1.026	50	20	DDGD	
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccc(C#N)cc1	824694521	OQEGCPJXNUIICL-CHWSQXEVSA-N	301.346	1.523	50	20	DDGD	
CCN(CCO)NC(=O)C(C)(C)c1ccc2c(c1)OCCO2	823853092	ZONVNXMNRFVBIM-UHFFFAOYSA-N	308.378	1.081	50	20	DDGD	
Cn1ccc(CCC(=O)NNc2cccc(C(F)(F)F)n2)n1	825997617	IYRPGDCYDUNKIB-UHFFFAOYSA-N	313.283	1.910	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1CCN(c2ccccc2)C1	828519560	SQTAIBNXNXRYTG-GFCCVEGCSA-N	313.361	1.455	50	20	DDGD	
O=Cc1cc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cs1	826484238	UKZJZWPNQZAZGK-UHFFFAOYSA-N	314.330	1.498	50	20	DDGD	
COCc1cccc(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	825702224	PYQXPNFWRBSTRC-SMDDNHRTSA-N	321.377	1.088	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H]1CCC[C@@H]1c1ccccc1	822786125	KPDYNKPSTBJUHA-HUUCEWRRSA-N	319.405	1.937	50	20	DDGD	
CN(NC(=O)CNC(=O)CC(C)(C)C)C(=O)OC(C)(C)C	496487788	SDIMGNSHZXLBGT-UHFFFAOYSA-N	301.387	1.437	50	20	DDGD	
O=C(CS(=O)(=O)C1CC1)NNc1cccc(C(F)(F)F)c1	827501442	RDQNFHGPXPTYNI-UHFFFAOYSA-N	322.308	1.726	50	20	DDGD	
COC(=O)NNC(=O)CCCCC(=O)c1ccc(OC)cc1	495447431	GLOATVVTDPPOAI-UHFFFAOYSA-N	308.334	1.826	50	20	DDGD	
CCOCCC1(CNCc2cccc(B(O)O)c2)CCCC1	585031054	PCVRPHNJPDNWAC-UHFFFAOYSA-N	305.227	1.443	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C(C)=C1CCC1	823639055	ZGGNYIOSFWQTNV-UHFFFAOYSA-N	304.346	1.722	50	20	DDGD	
CC(C)(C)c1nc(CNCc2ccc(B(O)O)cc2F)cs1	585021141	PZXGBULWTBHWTG-UHFFFAOYSA-N	322.214	1.549	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCCC[C@@H]1C	820933341	SOBDAQUGUUFCQY-RWMBFGLXSA-N	312.410	1.938	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H]1CC(c2ccc(C)cc2)=NO1	900393450	JKAIKVZDMCYPCK-ZDUSSCGKSA-N	304.350	1.228	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	490786525	FMMQZIMECSVSTH-UHFFFAOYSA-N	301.387	1.485	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNc1cccc(F)c1C(=O)OC	822730568	AEIAVMJZFPUZOQ-VHSXEESVSA-N	312.341	1.974	50	20	DDGD	
N#C/C(=C/c1ccc(-c2nn[nH]n2)o1)C(=O)NCc1ccccc1	822796090	LZCUUOMMRBIHPD-WQLSENKSSA-N	320.312	1.683	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@H]2CCOC(C)(C)C2)cn1	491015045	ZFHSYNCNMIATMU-VWBIBIBXSA-N	302.378	1.648	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H](O)c1ccccc1	826446227	DQKGKGPSNGKOLA-ZDUSSCGKSA-N	310.317	1.043	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1	494450566	FCHMSCSXSSJHEX-UHFFFAOYSA-N	322.365	1.672	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NC[C@H](O)C2CCC2)cc(C#N)n1C	491083673	MHOPDLGWNWLWMU-VCXBKZMZSA-N	312.373	1.389	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@]2(Cl)C[C@H]3CC[C@H]2O3)n1	906877057	BTLOIMMYJLMSSE-JRKPZEMJSA-N	312.757	1.166	50	20	DDGD	
CCO[C@@H](CCNCc1ccc(B(O)O)cc1)C1CCCC1	585026761	RQUYOYPBFYDGEN-KRWDZBQOSA-N	305.227	1.441	50	20	DDGD	
COc1ccc(CN(C)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	827315964	XCWWRDCCAXPPOM-BXUZGUMPSA-N	321.377	1.293	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@]2(C)CCO[C@H]2C2CC2)cn1	491138518	ZGGORWQUURRPTR-BTPAOGQSSA-N	300.362	1.401	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1ccc(OC)c(C(=O)OC)c1	491009025	JGXZYDABCAAJRL-BENRWUELSA-N	318.329	1.542	50	20	DDGD	
Cn1nc(C2CC2)cc1S(=O)(=O)NCCCSC#N	907269907	XGAZLLDMFNGUIK-UHFFFAOYSA-N	300.409	1.180	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc(OCC2CC2)cc1	833251350	WDQXYRSQEFCTQM-HNNXBMFYSA-N	318.373	1.806	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1ccc(Cl)cc1F)N(C)C	836623768	SPZVAMRGOAIMNN-QMMMGPOBSA-N	316.764	1.373	50	20	DDGD	
NCCS(=O)(=O)NC(=O)CCCC[C@H]1CCSS1	901094808	RLBHFUFYLXJKKK-VIFPVBQESA-N	312.482	1.105	50	20	DDGD	
CC(C)C(=O)NNC(=O)Cn1cc(C(=O)O)c2ccccc21	736346546	BYWQVGCSGBNYPX-UHFFFAOYSA-N	303.318	1.143	50	20	DDGD	
COCCN(C)NC(=O)c1nc(Br)sc1C	837625004	FWUJTHACFXSNAE-UHFFFAOYSA-N	308.201	1.437	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)OC(C)(C)C)[C@@H]1CCCO1	495012578	PLGNXVPMJVYDHK-LBPRGKRZSA-N	313.398	1.962	50	20	DDGD	
C[C@H](CN1CCCCCC1)C(=O)NN=C1CCn2ccnc21	834935304	QXRWQHGPBYGYJK-CYBMUJFWSA-N	303.410	1.619	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNC(=O)c1cccc(Cl)c1	839455301	DIUUYNXOCHLRCA-NSHDSACASA-N	311.769	1.249	50	20	DDGD	
CC(=O)N[C@H](CCC(C)C)C(=O)NNc1nc2ccccn2n1	834350359	BKYIGJFMPQMPMW-GFCCVEGCSA-N	318.381	1.113	50	20	DDGD	
O=C(NN=C1CCC[C@H](C2CC2)C1)N[C@@H]1CCS(=O)(=O)C1	737430733	ZRGNWPGRJJVWDI-WCQYABFASA-N	313.423	1.429	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)CCN1CCN(C(C)C)CC1	901165557	WDERKSQGDNUYKB-UHFFFAOYSA-N	322.428	1.993	50	20	DDGD	
Cc1cc(CNCc2ccc(B(O)O)cc2F)cc(C)c1F	585029091	VATAYPBRKUAQLR-UHFFFAOYSA-N	305.133	1.551	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2c[nH]nc2C)cnn1C(C)(C)C	732082344	BGFJLRUQUDBWOQ-UHFFFAOYSA-N	318.381	1.307	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2ccc(C)c(O)c2)CCN1C(C)C	902966418	VSKGPRKAUYBJCW-UHFFFAOYSA-N	317.389	1.850	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NN=C1CCCS(=O)(=O)C1	731927827	VGWYJZXPIQMCAV-UHFFFAOYSA-N	319.386	1.322	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cccs1)Cc1occc1C	839661836	QZTNTPASAGFYJO-UHFFFAOYSA-N	321.402	1.933	50	20	DDGD	
CC(C)n1cc([C@H](C)NC(=O)NNC(=O)[C@H]2CCCCO2)cn1	836299274	OMWYLDYYPOBDQC-WCQYABFASA-N	323.397	1.425	50	20	DDGD	
C[C@@H]1CC[C@@H](C)C(=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1	834944047	JUFRZAHLAWNMBQ-GMTAPVOTSA-N	301.412	1.285	50	20	DDGD	
CCCCNC(=O)NN=C(C)CS(=O)(=O)c1ccccc1	735406644	KCUWCFWWPLTXEO-UHFFFAOYSA-N	311.407	1.936	50	20	DDGD	
CCn1cnnc1CNC(=O)NNC(=O)c1cccc(Cl)c1	916580525	IYROAWBPJQHIAL-UHFFFAOYSA-N	322.756	1.096	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C#CC2CC2)cc1OC	837313557	HUCHAERZWZCKKX-UHFFFAOYSA-N	302.330	1.268	50	20	DDGD	
CC1(C)CC(NC(=O)NNC(=O)CC(F)(F)F)CC(C)(C)N1	918054887	YUXNFGDNQUTMMF-UHFFFAOYSA-N	324.347	1.578	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NCC2(C#N)CCC2)cc1	842198550	LCZBIGAHRWCFKS-UHFFFAOYSA-N	317.349	1.725	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CNc2ccc(C)cc2C)o1	848367274	FPOHKHOJOJCZCO-UHFFFAOYSA-N	317.345	1.778	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)CC(F)(F)F)CCc2ccccc21	844131350	OALNATLTPRJSIE-ZDUSSCGKSA-N	300.280	1.990	50	20	DDGD	
COc1ccnc(C=NNC(=O)c2cc3c(s2)CCC3)n1	842523582	PYMSXVSPDSMGHA-UHFFFAOYSA-N	302.359	1.799	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2c[nH]cc2C)cc1OC	916728407	IMHWUDCWUGGGLV-UHFFFAOYSA-N	303.318	1.415	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNc1nccc2sccc12	846634687	DZNWWCTZDDYOQG-UHFFFAOYSA-N	306.391	1.902	50	20	DDGD	
COCC1(CC(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)CC1	843754656	XLOBRSQEMVBRRJ-LLVKDONJSA-N	324.352	1.557	50	20	DDGD	
COCC1(CC(=O)NNC(=O)Nc2ccc3c(c2)OCO3)CC1	843879914	GYHGYBFZJXWLFB-UHFFFAOYSA-N	321.333	1.385	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(C(=O)OC(C)(C)C)nc1	845926506	RJGGCZLYPXKWGI-UHFFFAOYSA-N	322.365	1.343	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1ccc(OC)cc1C	841628301	SPCSBRONBAQUED-CYBMUJFWSA-N	308.378	1.895	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cc1cc(F)c(F)cc1F	843651618	DXNLOHINGPFGHD-VXNVDRBHSA-N	316.279	1.219	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F	742596069	RWGRECYUVASMIZ-UHFFFAOYSA-N	324.356	1.726	50	20	DDGD	
COc1ccc(OC)c(C(C)=NNC(=O)[C@@H]2CCO[C@@H]2C)c1	842555567	PGFVIFDSOLQKML-DGCLKSJQSA-N	306.362	1.969	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=C1CC[C@H]2CCCC[C@H]2C1	743448042	WAINXZOFQVEUQI-MNOVXSKESA-N	318.377	1.893	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(Cl)nc1F	911505036	PBYKNMICFQNASM-RNFRBKRXSA-N	301.705	1.060	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)COc1ccccc1O)C1CCCC1	749382322	OBCGRWHPKBSYGB-LLVKDONJSA-N	306.362	1.745	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccc(F)cc1	843655394	JJFONJBQXOZGFN-SWHYSGLUSA-N	308.353	1.892	50	20	DDGD	
O=C(NNc1ccccc1OC(F)(F)F)N[C@H]1[C@@H]2CNC[C@@H]21	842000167	SSNVSJQLOSZIHW-VROVMSAKSA-N	316.283	1.429	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C1CC2(CCC2)C1	844128627	PYOUWNKESFTFGA-UHFFFAOYSA-N	317.389	1.835	50	20	DDGD	
Cc1ncc2n1C[C@@H](C(=O)NNc1cccnc1Cl)CC2	846257193	NKTCNLSDSWTHJZ-JTQLQIEISA-N	305.769	1.946	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc(-n2cccn2)c1	843650578	DTRMYTCRSNLKSQ-FZMZJTMJSA-N	314.345	1.058	50	20	DDGD	
O=C(NCCS(=O)(=O)C1CC1)NNc1cccc(F)c1F	840447672	JFMZUCCECWPVOS-UHFFFAOYSA-N	319.333	1.168	50	20	DDGD	
O=C(NCCN1CCCC1=O)NNc1ccc(Cl)cc1F	923074510	ZEEKBLIYQYQXJM-UHFFFAOYSA-N	314.748	1.728	50	20	DDGD	
CCCC[C@@H](CN)NC(=O)NNC(=O)COc1ccc(C)cc1	841960037	YTSZJECRAOUJNA-ZDUSSCGKSA-N	322.409	1.222	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=C1CCC(CS(C)(=O)=O)CC1	842548969	FOOJRDUCPZDIOD-IAUSTGCCSA-N	316.423	1.118	50	20	DDGD	
CC(C)C(=O)NNC(=O)NC[C@@H](C(=O)OC(C)(C)C)C(C)C	847430259	DABFUFIWVSXOGJ-LLVKDONJSA-N	315.414	1.587	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1ccc2cc(O)ccc2c1	748779930	BNOUFTLYSZNHFN-UHFFFAOYSA-N	311.341	1.664	50	20	DDGD	
COC[C@H](CNC(=O)NNc1ccc(Cl)cc1F)OC	921876332	UERWZBUYRZUMIC-VIFPVBQESA-N	305.737	1.767	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C)c1ccc[nH]1	853375413	OENKPGJHELOPPY-IUODEOHRSA-N	315.377	1.756	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)c2ccc3ccccc3n2)O1	756902658	VQFZGOOGNVQBKB-IUODEOHRSA-N	313.357	1.953	50	20	DDGD	
C[C@H]1COC[C@@H]1NC(=O)NNC(=O)Cc1ccc(Cl)cc1	925992792	SABBSJAOVKDROR-CABZTGNLSA-N	311.769	1.248	50	20	DDGD	
CCNC(=O)c1cccc(NC(=O)NNC(=O)[C@H](C)CC)c1	755515314	UOROBSXAXKMCQA-SNVBAGLBSA-N	306.366	1.635	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(SC)c(Cl)c1	756860386	VPPGNEDBFLPNBP-UHFFFAOYSA-N	303.771	1.861	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)Nc1cccc2c1OCO2	757996366	SQFKNDCFUATEEN-UHFFFAOYSA-N	315.285	1.587	50	20	DDGD	
COc1cc(Cl)cc(C(=O)NNc2nccnc2OC)c1	857540227	ZYSJWGMQVSNHDO-UHFFFAOYSA-N	308.725	1.904	50	20	DDGD	
CO[C@](C)(C=NNC(=O)CCCNC(=O)C(C)(C)C)C1CC1	853407537	ICEMBHBJWCJXQD-MRXNPFEDSA-N	311.426	1.846	50	20	DDGD	
CC[C@@H]1CC(=NNC(=O)Cc2cc(O)nc(S)n2)CCO1	756822617	BRFORWQDNAZXQJ-SNVBAGLBSA-N	310.379	1.075	50	20	DDGD	
CN(C)[C@H](C(=O)NNc1ccc(Cl)cn1)c1cncn1C	856091945	ZAYGFHQIYSFPTI-LBPRGKRZSA-N	308.773	1.215	50	20	DDGD	
COC1(C(=O)NNC(=O)c2cc(Cl)ccc2O)CCCC1	754173352	BZVJSBXZCXUULM-UHFFFAOYSA-N	312.753	1.766	50	20	DDGD	
CCC/C=C/C(=O)NNC(=O)c1cc(Br)c[nH]1	920431435	BEYXJWNCAZYVCD-SNAWJCMRSA-N	300.156	1.895	50	20	DDGD	
Cc1cc(C)n(CCCC(=O)NNC(=O)c2ccccc2F)n1	929231698	KFSXQWBHQWKMBS-UHFFFAOYSA-N	318.352	1.880	50	20	DDGD	
C[C@@H](C(=O)NC(C)(C)C)N(C)CCI	759453481	XBMLURLRPBSOSW-QMMMGPOBSA-N	312.195	1.656	50	20	DDGD	
O[C@@H]1CCN(CCNCc2ccc(OCCCCl)cc2)C1	858297217	BRUDOVPIXNJOQE-OAHLLOKOSA-N	312.841	1.851	50	20	DDGD	
Cc1noc(C2CC2)c1C(=O)NNC(=O)c1cccc(F)n1	856423429	UIITYSIURGFIBC-UHFFFAOYSA-N	304.281	1.469	50	20	DDGD	
CNS(=O)(=O)[C@H]1CCCN(/C(=C\C#N)c2ccccc2)C1	750801920	SHSZMHPABPZUHN-BUYRESAOSA-N	305.403	1.565	50	20	DDGD	
CC(C)c1ccc(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1	920381248	PIFIHMDAQCFUQD-CQSZACIVSA-N	323.418	1.630	50	20	DDGD	
C[C@@]1(CNC(=O)c2cccc3ncnn23)C[C@H]1Br	857392629	BCKJNPXHTKTZTI-SKDRFNHKSA-N	309.167	1.633	50	20	DDGD	
CCOC(=O)C1(CNC(=O)NNC(=O)c2ccc(C)o2)CCC1	752380530	QEFGUVAEJGTWNP-UHFFFAOYSA-N	323.349	1.265	50	20	DDGD	
COCC(COC)NC(=O)NNc1ccc(F)cc1Cl	922730280	PFKMTHYIVIDIPN-UHFFFAOYSA-N	305.737	1.767	50	20	DDGD	
O=C1NCC[C@@H]1C(=O)NNc1cc(F)ccc1Br	854940766	YSTFNFCOVIWWKC-ZETCQYMHSA-N	316.130	1.167	50	20	DDGD	
C[C@]1(CNC(=O)CCCn2cccn2)C[C@H]1Br	857404158	WSJZXIFRMQUXDE-ZYHUDNBSSA-N	300.200	1.953	50	20	DDGD	
CC[C@H](CO)C(=O)NNc1cc(C#N)ccc1Br	855617680	IHMWDXBFXRTUNR-SECBINFHSA-N	312.167	1.782	50	20	DDGD	
CC(C)C[C@H](CN)NC(=O)NC[C@]1(C)C[C@@H]1Br	857103854	NUBAMJDIGYIKRP-SCVCMEIPSA-N	306.248	1.833	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccccc1OCCC(N)=O	756068027	VYWLBHXYPNSGPB-SNVBAGLBSA-N	322.365	1.140	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)CCN1C(=O)CCNC1=S	855370070	MGWCEZZYHDSPNF-UHFFFAOYSA-N	324.381	1.074	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CC12CCC2	759692522	OLMNBKCSBHQGCF-GWCFXTLKSA-N	306.337	1.931	50	20	DDGD	
COc1ccc(C)cc1CC(=O)NNC(=O)OCC(F)(F)F	856024897	JFMNUZOLRDAAAP-UHFFFAOYSA-N	320.267	1.866	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)N[C@@H]3CCOC3)cc2C1	752126226	GOIYMJABOAGTCJ-GXSJLCMTSA-N	323.418	1.606	50	20	DDGD	
CO[C@@]1(C)C[C@H]1NC(=O)NNC(=O)c1ccc(Cl)cc1F	852688687	XQEVGAGQMQSNRR-MFKMUULPSA-N	315.732	1.601	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1ccc2c(c1)OC(F)(F)O2	755549150	GJCCKLJISUKWFR-UHFFFAOYSA-N	324.243	1.803	50	20	DDGD	
Cc1nccn1CCNC(=O)NNc1ncnc2ccsc12	765828729	WLXIBIKEPARQMA-UHFFFAOYSA-N	317.378	1.523	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H](C)OCc2ccncc2)n1	864691008	VIYUIFCDYPEISN-LBPRGKRZSA-N	301.350	1.537	50	20	DDGD	
C[C@H](NNC(=O)c1cncc(N2CCOCC2)c1)C(F)(F)F	862314571	DXAATGHHHWCCGE-VIFPVBQESA-N	318.299	1.103	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1cccc(CN2CCOC2=O)c1	764620470	ZHFKDJBJSFAUFY-UHFFFAOYSA-N	318.333	1.202	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)Cc1ccco1	768645570	QXBRVLARCFTMGF-UHFFFAOYSA-N	324.358	1.378	50	20	DDGD	
CCc1cccc(Cl)c1C=NNC(=O)CS(C)(=O)=O	863186859	OLGFHLKWLBGXBR-UHFFFAOYSA-N	302.783	1.397	50	20	DDGD	
CC[C@H]1C(=O)N(CC)CCN1S(=O)(=O)CC(C)(C)CCl	867134665	PPTHNEWCILTIPT-NSHDSACASA-N	324.874	1.524	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C1CC(c2cccc(Cl)c2)C1	863187392	KAIRMUBBKQAFGY-UHFFFAOYSA-N	314.794	1.734	50	20	DDGD	
O=C(NN=C1CCS(=O)CC1)c1cc(-c2ccccc2)[nH]n1	761793509	MAWKYRLWRSSLFP-UHFFFAOYSA-N	316.386	1.705	50	20	DDGD	
Cc1cc(C(=O)NN[C@@H](C)C(F)(F)F)c2c(O)nn(C)c2n1	862307133	IPKPKTXAECODKS-LURJTMIESA-N	317.271	1.168	50	20	DDGD	
CNc1nc(C(=O)NNc2ncnc3ccsc23)cs1	762263356	NHJSTCCELHMOCK-UHFFFAOYSA-N	306.376	1.946	50	20	DDGD	
N#Cc1cccc(NNC(=O)[C@H]2CCCN(CC(F)F)C2)c1	866867210	JCKWCYDHYVSRLE-LBPRGKRZSA-N	308.332	1.978	50	20	DDGD	
C=CCN1C(=O)C(=NNC(=O)Cc2cc(C)[nH]n2)c2ccccc21	767407963	QARMGRARAUNWIM-UHFFFAOYSA-N	323.356	1.314	50	20	DDGD	
N#CCCn1ncc(C(=O)NNC(=O)C2CC2)c1-c1ccccc1	760054875	YRXGLJQUYOQHPJ-UHFFFAOYSA-N	323.356	1.635	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCC(=O)N1)c1ccc2c(c1)CCCO2	863150880	DKGVQWUBQDZQTG-CYBMUJFWSA-N	301.346	1.130	50	20	DDGD	
CC[C@@H](CC(=O)NNC(=O)COCCOC)c1ccc(C)cc1	869910454	SYAGZJPMSKYRIH-AWEZNQCLSA-N	322.405	1.689	50	20	DDGD	
C[C@@H](CN1CCCC1=O)NC(=O)[C@@H](Br)C(C)(C)C	767305890	RBGXQTVWYOPZGG-GXSJLCMTSA-N	319.243	1.923	50	20	DDGD	
CN(C)CCCS(=O)(=O)NC[C@]1(C)C[C@@H]1Br	867548853	GUUYXWRZRIBBDC-UWVGGRQHSA-N	313.261	1.031	50	20	DDGD	
O=C(c1cccc(Oc2ccccn2)c1)N1CC[C@H](B(O)O)C1	864230926	GYLPEBCCBZOPJH-ZDUSSCGKSA-N	312.134	1.563	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)n1	761483687	KKGNWPWATMSHKY-SECBINFHSA-N	317.305	1.640	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(N(C)C)cc1C(N)=O	769176806	BVEWLQWLLNQEML-KTKRTIGZSA-N	302.334	1.234	50	20	DDGD	
Cn1nc(Br)cc1NC(=O)NNC(=O)C1CCC1	879644277	WCSDBEKHTIXGHY-UHFFFAOYSA-N	316.159	1.135	50	20	DDGD	
CCCNC(=O)CCC(=O)NNc1ccccc1C(=O)OC	777827460	DJKFTNLIYFHBGQ-UHFFFAOYSA-N	307.350	1.223	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNC(=O)c2ccccc2Cl)n1	1118978726	OQGOEXPTUSBVKJ-JTQLQIEISA-N	320.780	1.942	50	20	DDGD	
CC(C)[C@](C)(O)C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1	771441972	XBSWJBQNKKDHCW-AWEZNQCLSA-N	322.390	1.306	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCCC3(CC3)C2)cc1	770701064	RAFHNZOWUAIXRM-UHFFFAOYSA-N	301.390	1.632	50	20	DDGD	
N#CC1=CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1	779591124	WFQAGFLHOMZBHN-OAHLLOKOSA-N	312.329	1.856	50	20	DDGD	
Cn1ncc(C2CC2)c1C(=O)NNc1nncc(N)c1Cl	1118675964	VWRPGRBCCUMYLD-UHFFFAOYSA-N	307.745	1.080	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(N(C(C)=O)C2CC2)cc1	879676539	JFTWVLZAQRDWDD-UHFFFAOYSA-N	320.393	1.817	50	20	DDGD	
Cc1cccc(-n2cc(C(=O)NNC(=S)NC(C)C)nn2)c1	1115936819	BMICDJSQBUQGEM-UHFFFAOYSA-N	318.406	1.093	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)[C@H]2CC2(F)F)cc1	874953736	JONAIZTZPQYCDW-SNVBAGLBSA-N	314.361	1.725	50	20	DDGD	
CN(C)c1nccc(CNC(=O)NNc2cccc(C#N)c2)n1	776067932	DZJDFKJGFPNCLB-UHFFFAOYSA-N	311.349	1.241	50	20	DDGD	
COCC1CCC(NC(=O)NNc2ccc(C#N)cn2)CC1	889246395	QGTXSCUOKJOQTK-UHFFFAOYSA-N	303.366	1.785	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCOc2ccccc21)C1CCOCC1	883062620	KSUQRWAUZICMLV-CYBMUJFWSA-N	304.346	1.127	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)nc2)cc1O	779499435	HJOGEBSYPLRKMC-UHFFFAOYSA-N	305.721	1.824	50	20	DDGD	
C[C@H]1CCCN(C(=O)CCNC(=O)NN(C)c2ccccc2)C1	1122491752	ITODIDCHQUEKAN-AWEZNQCLSA-N	318.421	1.986	50	20	DDGD	
CO[C@]1(C(=O)NNC(=O)c2cccc(N(C)C)c2)CCSC1	887645821	HWFQUOCZHBQQFC-OAHLLOKOSA-N	323.418	1.036	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@@H]1CCN(c2ccc(F)cc2)C1=O	780755153	KYCUFWMZWFHWKJ-AWEZNQCLSA-N	314.320	1.139	50	20	DDGD	
O=C(NNc1ccccc1F)C(=O)Nc1cccc2c1OCO2	782708623	RQIZXYFFSISQIJ-UHFFFAOYSA-N	317.276	1.636	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2nnc(-c3ccccn3)s2)CO1	788558565	PMVPSOONCDKRLQ-DTWKUNHWSA-N	305.363	1.468	50	20	DDGD	
Cc1ccc(S(C)(=O)=O)cc1NC(=O)NN=c1cc[nH]cc1	782016712	UGFLTVIQEHVEBL-UHFFFAOYSA-N	320.374	1.364	50	20	DDGD	
C[C@]1(c2ccccc2)C[C@H]1NC(=O)NNC(=O)c1cccnn1	883458707	UQFDOMAIQXCBIL-CZUORRHYSA-N	311.345	1.151	50	20	DDGD	
O=C(NNS(=O)(=O)CCC1CCCC1)c1cccc(F)n1	882765632	GKCUAXVFLBZGRB-UHFFFAOYSA-N	315.370	1.365	50	20	DDGD	
CC(C)C(=O)NNC(=O)NC1CCN(c2ccncc2)CC1	1122476771	ODBBGLJCHBSWNT-UHFFFAOYSA-N	305.382	1.037	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CCOc2c(F)ccc(F)c21	783815938	LLYRXXABSCKCAV-UHFFFAOYSA-N	311.288	1.092	50	20	DDGD	
CN(C)c1cccc(C(=O)NNc2ccc(-n3ccnc3)nn2)c1	788173904	BQEUVNPAOTTXQM-UHFFFAOYSA-N	323.360	1.485	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNC(=O)C(C)C)ccc1Cl	789733300	YVRSMMNSEHRUNS-UHFFFAOYSA-N	313.741	1.091	50	20	DDGD	
CC(C)[C@@](C)(O)C(=O)NNc1nnc(-c2ccccn2)s1	788566361	AMJSNUDRLLJHPG-CYBMUJFWSA-N	307.379	1.450	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1ccc2c(c1)COC2	793078220	KJUFYMMCFYEDLM-UHFFFAOYSA-N	312.416	1.783	50	20	DDGD	
Cc1cnn(C)c1C=NNC(=O)COc1ccc(Cl)cc1	794866556	YUKLAMIYFSUUMW-UHFFFAOYSA-N	306.753	1.911	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)C[C@H]1CCCOC1	793682585	OWOIPVKGYQTOHL-LLVKDONJSA-N	312.391	1.350	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C1CCOC[C@@H]1C	794470781	AETQXAZQBSGUGG-LBPRGKRZSA-N	306.362	1.993	50	20	DDGD	
CO[C@H]1CCC[C@H](CC(=O)NNC(=S)NCC2CCC2)C1	798124993	HAAGJUZTOWEMMR-STQMWFEESA-N	313.467	1.877	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=C2C(=O)OC[C@H]2C)cc1	794881846	ZIGFTASJNTVZPN-MNOVXSKESA-N	320.345	1.518	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1	790180596	BWPXYTLAQHEKJH-UHFFFAOYSA-N	305.338	1.276	50	20	DDGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(/C#N)S(=O)(=O)N(C)C	794957777	GYYMWXRNQCKBMZ-SDQBBNPISA-N	308.359	1.758	50	20	DDGD	
Cc1cc(CC(=O)NN=C2CCC[C@H](c3ccnn3C)C2)n[nH]1	790291633	YGTVZNAGXMEEDU-LBPRGKRZSA-N	314.393	1.824	50	20	DDGD	
CC[C@H](C)n1ncc(NC(=O)NNC(=O)c2cc(C)[nH]n2)c1C	792481434	KGSABYXOHLFWRL-VIFPVBQESA-N	319.369	1.661	50	20	DDGD	
CC[C@H]1CCC[C@H]1NCC(=O)NNC(=O)Cc1nc(C)cs1	794576812	ZFQILRWCCUZYOA-NWDGAFQWSA-N	324.450	1.310	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41	795115957	PCMOPXGQGGPGCM-LHBQTMGTSA-N	322.372	1.190	50	20	DDGD	
CC(=O)N1c2ccccc2C[C@H]1C(=O)NNc1ncccc1C	791216448	UORZCTIUHWUEOU-HNNXBMFYSA-N	310.357	1.811	50	20	DDGD	
CCc1cnccc1CNC(=O)NNc1nc2ccccn2n1	790458869	KPDJQRHKGVPBAR-UHFFFAOYSA-N	311.349	1.513	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C(C)(C)C(F)F)c1	792014549	JZHLPFPIIKHDEB-UHFFFAOYSA-N	300.305	1.813	50	20	DDGD	
O=C(CCc1ccc(O)nc1)NNc1cccc(F)c1[N+](=O)[O-]	791067126	QIWOBQXSUHJRSB-UHFFFAOYSA-N	320.280	1.910	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1ccc(CC#N)cc1	1318910179	UFQQQWVEUABREE-UHFFFAOYSA-N	309.391	1.498	50	20	DDGD	
O=C(CCl)N1CCCN(C(=O)Cc2cccc(F)c2)CC1	1319681542	BQAICDKKVFUQTL-UHFFFAOYSA-N	312.772	1.668	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1CCCCCC1=NNC(=O)CCO	1320884904	DGKLIQRLKLSZPI-NSHDSACASA-N	313.398	1.698	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)[C@@H]1CCCCCN1	1326795608	YWUFGMZIBBOTNN-VIFPVBQESA-N	314.187	1.214	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cccnc2C2CC2)c1Cl	1320187016	PINBNMLPVVAFJA-UHFFFAOYSA-N	304.741	1.742	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H]2CCCC[C@@H]2N(C)C)n1	1339820308	WXAQMIODGZFBHE-RYUDHWBXSA-N	322.413	1.293	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(N=S2(=O)CCCC2)cc1	1336843595	ZXECINLSSXPWOV-UHFFFAOYSA-N	310.379	1.753	50	20	DDGD	
CN(CC(C)(C)O)c1nnnn1C[C@]1(C)C[C@H]1Br	1335973798	BJSHJRMVZJXNOW-KCJUWKMLSA-N	318.219	1.054	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1F)c1ccc(Br)cc1	1339503297	VPTKAHGVUBMXSP-BDAKNGLRSA-N	301.115	1.568	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2c(O)nnc(C)c2C)n1	1339191143	SFOFJFWSAGADFY-UHFFFAOYSA-N	317.353	1.032	50	20	DDGD	
CC(C)CC[C@@H]1CCC[C@H]1NC(=O)NNC(=O)C1CCNCC1	1345140391	FMPCHCXDHDYIQX-DZGCQCFKSA-N	324.469	1.921	50	20	DDGD	
COc1cc2c(cc1F)C(=NNC(=O)C1CCOCC1)C(=O)N2	1262038362	JMFAQHSWMWXKNZ-UHFFFAOYSA-N	321.308	1.033	50	20	DDGD	
O=C(NCc1cccc(C(F)(F)F)c1)NNC(=O)[C@H]1C[C@@H]1F	1348713577	ZPWYBKBJRNMNQM-UWVGGRQHSA-N	319.258	1.894	50	20	DDGD	
O=C1CO[C@H]2CCN(C(=O)c3cccc(CCl)c3)C[C@@H]2N1	1262628510	XCAHSVLISFOMFB-STQMWFEESA-N	308.765	1.155	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)[C@H]2C[C@H]2F)cc1OC	1348434227	OCXYURCNBBLQFY-WDEREUQCSA-N	310.325	1.603	50	20	DDGD	
CC(C)c1nnc2n1CCN(C(=O)NNC(=O)C(C)(C)C)[C@H]2C	1341531405	BVEFHKSDAQVZMK-JTQLQIEISA-N	322.413	1.565	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H]2CCCCN2C)c1	1346438011	WOWUCOAQLIGMCP-AWEZNQCLSA-N	320.393	1.584	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)OCC(F)(F)F)cc1C	1352443068	IAGRDFZBANXCIU-UHFFFAOYSA-N	306.240	1.937	50	20	DDGD	
C[C@H](CN(C)C(=O)NNC(=O)c1cn[nH]c1)C1CCCCC1	1351351344	DOQGAWWUSUYOIT-LLVKDONJSA-N	307.398	1.912	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cnn2c1NC[C@@H](C)C2	1350814327	HTRBXIRCVLGAJF-SNVBAGLBSA-N	313.361	1.328	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)cc1C	1528592822	RGCDXTCJCWZCGV-JTQLQIEISA-N	307.419	1.911	50	20	DDGD	
Cc1ccccc1C(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1	1605932839	DWBDMTFSBUGKTO-UHFFFAOYSA-N	306.329	1.939	50	20	DDGD	
Cc1noc(C2CC2)c1C(=O)NNc1ccc(C(=O)O)cn1	1600810978	PCNYWTOTUIMHBT-UHFFFAOYSA-N	302.290	1.711	50	20	DDGD	
O=C(NNC(=O)C(=O)O)N[C@@H]1CCCC[C@H]1Cc1ccccc1	1608476883	AXEHPNLPLONVQE-QWHCGFSZSA-N	319.361	1.203	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1cc(F)c(C(=O)O)c(F)c1	1601553455	IRHIVHNJRQHIHI-UHFFFAOYSA-N	313.260	1.616	50	20	DDGD	
O=C(O)CC1CC(NS(=O)(=O)c2ccc(CCl)cc2)C1	1608692872	DONUIOWHFHUSBX-UHFFFAOYSA-N	317.794	1.957	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H](C(=O)O)C1CCCC1	1605350737	CQNAGYZNGXEUDB-CYBMUJFWSA-N	304.346	1.647	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@H]2CC23CCOCC3)c1F	1602448022	KINSAGFCBFIUHU-JTQLQIEISA-N	308.309	1.784	50	20	DDGD	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNc1ccnc(Br)c1	1605023028	IHDKUQULLRVMRX-KBUNVGBDSA-N	314.139	1.398	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)c1	1600600733	RSETXLILJXVCKP-VTPLQMEGSA-N	301.346	1.746	50	20	DDGD	
N#Cc1ccc(NCC(=O)NNc2ccccc2C(=O)O)cc1	1601108682	TVIZKFFBAYYSBY-UHFFFAOYSA-N	310.313	1.812	50	20	DDGD	
O=C(NCc1ncccc1F)NNc1cccc(C(=O)O)c1F	1601552376	UCRMWXMYYGQQGE-UHFFFAOYSA-N	322.271	1.884	50	20	DDGD	
N#Cc1ccc(C(=O)NN[C@@H](C(=O)O)c2ccsc2)cc1	1610626135	CUGORRAKOVCJSM-GFCCVEGCSA-N	301.327	1.680	50	20	DDGD	
CN(Cc1ccc(OCC(=O)O)cc1)S(=O)(=O)CCl	1610124048	STKJBEYVWMCCRB-UHFFFAOYSA-N	307.755	1.108	50	20	DDGD	
COc1cc(C)cnc1C(=O)NNc1ccccc1C(=O)O	1610290705	BKJZUMDGWJHEAN-UHFFFAOYSA-N	301.302	1.854	50	20	DDGD	
O=C(COc1cccnc1)NNc1ccc(C(=O)O)c(Cl)c1	1610671533	STZMRGFVDMVUNF-UHFFFAOYSA-N	321.720	1.955	50	20	DDGD	
O=C(NN=Cc1nc(Cl)cs1)[C@@H]1CN2CCC[C@H]2CO1	1549318059	AAGIDBANXKKZSN-IUCAKERBSA-N	314.798	1.110	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N(C)CCCC(=O)O)cc(C#N)n1C	1610410172	CZTVTGMRYWCOKW-QPEQYQDCSA-N	314.345	1.435	50	20	DDGD	
O=C(NN=Cc1cc2cccnc2o1)[C@H]1CN2CCC[C@@H]2CO1	1549315969	PXQOLSWGNUDHAL-TZMCWYRMSA-N	314.345	1.141	50	20	DDGD	
Cn1cc([C@H]2OCCC[C@@H]2C=NNC(=O)c2ccnnc2)cn1	1552452179	CCHWGLMDHNSSHH-RISCZKNCSA-N	314.349	1.094	50	20	DDGD	
COc1cccc([C@@H](N)C(=O)NNc2ccc(Cl)cn2)c1	1579264037	DFIRGXNMONCICD-CYBMUJFWSA-N	306.753	1.887	50	20	DDGD	
Cc1cccc(CSCC(=O)NNC(=O)CCCCCN)c1	1579764868	HBNYLHACYSJVAA-UHFFFAOYSA-N	323.462	1.895	50	20	DDGD	
Cc1c(F)ccc(N)c1C(=O)NNc1ncccc1C(=O)O	1574304069	KFYOMEBBEOIBJI-UHFFFAOYSA-N	304.281	1.566	50	20	DDGD	
C[C@@H](CNC(=O)NNc1cc(Cl)nc2ncccc12)C(=O)O	1589055871	FESLWFGJKLWOTO-ZETCQYMHSA-N	323.740	1.630	50	20	DDGD	
COc1cc(NC(=O)NNc2ccc(C(=O)O)c(F)c2)n(C)n1	1599439811	JWKWJMGGCJYXHV-UHFFFAOYSA-N	323.284	1.415	50	20	DDGD	
COc1cc(C(=O)NNc2cccc(F)c2C(=O)O)nn1C	1599355262	LEZNKBRTKWCUFI-UHFFFAOYSA-N	308.269	1.023	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccccc1C(=O)O	1594159759	WPAJOKRRGNYCOM-UHFFFAOYSA-N	303.278	1.332	50	20	DDGD	
CCN(C)C(=O)[C@H](C)NC(=O)NNc1cccc(C(=O)O)c1C	1596181371	RHQLVZIRLLFQKR-JTQLQIEISA-N	322.365	1.186	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)c1	1593896798	JUUGQFZJXLAAMU-VHSXEESVSA-N	306.318	1.417	50	20	DDGD	
O=C(NN=Cc1c(O)c(C(=O)O)cc2ccccc12)c1cn[nH]c1	1776094001	VZKDYHMUGMIRLI-UHFFFAOYSA-N	324.296	1.731	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1cc2ccccc2cc1O	16758187	FZEIAOCDEJBHHO-UHFFFAOYSA-N	320.312	1.969	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCCCO2)cc1C	161342742	SSPZTUGPCCTAOT-AWEZNQCLSA-N	306.362	1.399	50	20	DDGD	
CC(C)CCC(=O)NCC(=O)NNc1cnc2ccccc2n1	163573438	XMQABPMFHOYERR-UHFFFAOYSA-N	315.377	1.625	50	20	DDGD	
O=C(CCC1CCCCC1)NNC(=O)C(=O)Nc1ccccn1	151814204	WOYXDWLEVPIGEJ-UHFFFAOYSA-N	318.377	1.528	50	20	DDGD	
CCCCCC[C@H](C)NC(=O)NNC(=O)C(=O)N1CCCC1	155020227	PVYXPOFKPHWWTM-LBPRGKRZSA-N	312.414	1.298	50	20	DDGD	
Cc1cccc(C(=O)NNc2ncnc3nc[nH]c23)c1[N+](=O)[O-]	156236261	KPKAQQISAWWZHN-UHFFFAOYSA-N	313.277	1.326	50	20	DDGD	
CN(C(N)=O)c1ccc(OS(=O)(=O)CCCCCl)cc1	154077837	XMSQSQLBZAIXBW-UHFFFAOYSA-N	320.798	1.929	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)COc1ccc(C)cc1	154969335	VRPVPMLPUMAVPV-UHFFFAOYSA-N	303.362	1.508	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1	6248457	LTXLKIZCOBVFEK-UHFFFAOYSA-N	314.297	1.499	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCCOCc1ccccc1	50612592	JBDIRCNABXNOKO-UHFFFAOYSA-N	323.393	1.350	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Nc1ncc(C)s1	171767338	OMNCSURMLYGSDB-UHFFFAOYSA-N	306.347	1.927	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)c2ccccc2O)ccc1F	105589586	IWSSJWDDZLSJCI-UHFFFAOYSA-N	324.333	1.463	50	20	DDGD	
COc1cc(CCC(=O)NNc2cnccn2)cc(OC)c1	114879991	HXXXVPPWUONAOM-UHFFFAOYSA-N	302.334	1.570	50	20	DDGD	
CN(C)N(C(=O)c1ccc(Cl)o1)[C@@H]1CCS(=O)(=O)C1	68525982	RYJKCHCDEDHCKZ-MRVPVSSYSA-N	306.771	1.039	50	20	DDGD	
C[C@@H](SCc1ccccc1)C(=O)NNC(=O)Cc1cc[nH]n1	106417298	HMYQTWDXACDKCC-LLVKDONJSA-N	318.402	1.422	50	20	DDGD	
CCN(C)[C@@H](C(=O)NNC(=O)c1ccc[nH]1)c1ccccc1	103186092	AQFNQMUEWJCFKD-CQSZACIVSA-N	300.362	1.469	50	20	DDGD	
CCN(CC)C(=O)c1ccc(C(=O)NNc2ncccn2)cc1	104238634	DVGRHHAODFLHTI-UHFFFAOYSA-N	313.361	1.716	50	20	DDGD	
CCC(=O)N1CCC(=NNC(=O)COc2ccc(F)cc2)CC1	64306346	VVOUQAYWMYOJJJ-UHFFFAOYSA-N	321.352	1.709	50	20	DDGD	
C=CC[C@H](C)NC(=O)NNC(=O)CCc1ccc(OC)cc1	116973984	OEIVQRCKKZIMQK-LBPRGKRZSA-N	305.378	1.923	50	20	DDGD	
Cc1cccc(-c2nc(CC(=O)NN(C)C(N)=O)cs2)c1	179696198	JRPNSKMEVPVAMI-UHFFFAOYSA-N	304.375	1.703	50	20	DDGD	
CCN(CC)CC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	68011466	IVWSAEILDXBGLR-NSHDSACASA-N	311.357	1.082	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CSc2ccccc21	118335704	JFFBZYWGIFOOBY-LLVKDONJSA-N	302.359	1.369	50	20	DDGD	
CC(C)OCCCNC(=O)NNC(=O)CCOc1ccccc1	61011298	DKZQQIDGYCVZCT-UHFFFAOYSA-N	323.393	1.601	50	20	DDGD	
CCOCCNC(=O)NNC(=O)c1c(Cl)cccc1Cl	170798228	CFIILCATEQMMLU-UHFFFAOYSA-N	320.176	1.974	50	20	DDGD	
CC(C)Cc1nc(C(=O)NNC(=O)Cc2cccnc2)cs1	171510677	RMHXMBKTXHECOE-UHFFFAOYSA-N	318.402	1.740	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@@H]1CCCCN1Cc1cccc(F)c1	1352303628	RDOQVSYKGDWMLA-CJNGLKHVSA-N	323.412	1.524	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccc(OC)c(OC)c1OC	34944117	XPOJOKJORHUWFB-XFXZXTDPSA-N	321.329	1.809	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=O)c2cccn2C)c1C1CC1	120965132	GSGJQYHDZJBPPM-UHFFFAOYSA-N	315.377	1.584	50	20	DDGD	
CCc1ccc(/C=C/C(=O)NNC(=O)Cn2nc(C)cc2C)o1	120362090	RBIDVYYEDKTASN-BQYQJAHWSA-N	316.361	1.516	50	20	DDGD	
CCOc1cccc(NC(=O)NNC(=O)c2cccnc2)c1	184465154	BYRYZEXJBMMYQD-UHFFFAOYSA-N	300.318	1.947	50	20	DDGD	
Cc1cc(C)c(NC(=O)C(=O)NNC(=O)C(C)(C)C)c(C)c1	180967779	JBCMWJXUVCEBMK-UHFFFAOYSA-N	305.378	1.744	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@@H](c1ccccc1)N1CCSCC1	194953829	WCBDRHJEYAYHLG-CYBMUJFWSA-N	322.434	1.079	50	20	DDGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)NCCOC	195201425	UEKUBCVKNMJBSZ-XYOKQWHBSA-N	319.317	1.663	50	20	DDGD	
N#Cc1ccc(CC(=O)NNC(=O)c2ccc(C#N)cc2)cc1	194882297	YJRLGOMUBUFJRJ-UHFFFAOYSA-N	304.309	1.434	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1ncnc2ccsc12)C(C)C	132705773	ZNRNBNYCCVBUMD-SNVBAGLBSA-N	307.379	1.295	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Cn1cnc(-c2ccccc2)n1	134564880	NLTVNDAFQWNKNL-UHFFFAOYSA-N	317.349	1.501	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)NC[C@H]1C[C@@H]1C	47098980	CAWWEZHPTPPYIX-WDEREUQCSA-N	307.350	1.060	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCC(=O)c1ccc(Cl)cc1	192925460	IWRJFVGLXHAXNH-UHFFFAOYSA-N	312.753	1.221	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2ccc[nH]2)cnn1-c1ccccc1	97150830	DXVWWPJGZQGGDJ-UHFFFAOYSA-N	323.356	1.838	50	20	DDGD	
O=C(Cc1cnn(-c2ccccc2)c1)NNC(=O)c1ccc[nH]1	97037769	MMRNTTHZUWDGNK-UHFFFAOYSA-N	309.329	1.204	50	20	DDGD	
CC1(C)[C@H](NC(=O)NNc2cncc(Cl)n2)[C@H]2CCO[C@H]21	247018433	QRWNJTWQCNJUSN-AVPPRXQKSA-N	311.773	1.570	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cc(OC)cc2c1O[C@@H](C)C2	255891755	TXFUKOMNLDCHOZ-ODYDIQAQSA-N	316.357	1.688	50	20	DDGD	
O=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1ccc(O)c(O)c1	254296001	WPCCATDDRFVPFL-UHFFFAOYSA-N	301.258	1.770	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCCCC(F)(F)F	266603966	BVUQVFKGACKVAN-UHFFFAOYSA-N	304.272	1.297	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@H](C)C(=O)OC(C)C)o1	268028553	LYEGMUWLFMKTCN-SECBINFHSA-N	311.338	1.120	50	20	DDGD	
CC[C@H](C)C[C@H](C)NC(=O)NNC(=O)C(=O)Nc1ccccn1	268294523	SOWJFTNDNXZWOR-QWRGUYRKSA-N	321.381	1.175	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@H]1CCO[C@]2(CCOC2)C1	364213126	GUPFQSFDDFSQDV-NWDGAFQWSA-N	311.831	1.263	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@H]1CCCN1C1CCCC1	269717613	SJVPPXBARPUVAK-OAHLLOKOSA-N	316.405	1.179	50	20	DDGD	
CCSCc1ccc(C(=O)NNc2nccn(C)c2=O)cc1	267120007	ISXVJEWHIFJHJV-UHFFFAOYSA-N	318.402	1.790	50	20	DDGD	
CCn1c(NNC(=O)[C@@H]2CCCS2)nc2ccccc2c1=O	266621322	SXAVSIWZDWCBOJ-LBPRGKRZSA-N	318.402	1.755	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CC(C)C)cnn1C1CCOCC1	270909319	WNBHTOPAOJGMMF-UHFFFAOYSA-N	308.382	1.350	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)CC2CC2)cc1F	273486777	VWFGQARZRXYXFU-UHFFFAOYSA-N	309.297	1.565	50	20	DDGD	
CC(C)[C@H]1C[C@@H](NC(=O)NNc2nc3ccccn3n2)CCO1	277009380	ZLHNWEFOVVUCQH-NWDGAFQWSA-N	318.381	1.559	50	20	DDGD	
Cn1nc([C@@H]2CCCOC2)cc1NC(=O)NNC(=O)CC1CC1	279841993	DNSJCPQQGKNFOX-LLVKDONJSA-N	321.381	1.267	50	20	DDGD	
COc1cc(OCC(=O)N2CC=C(C#N)CC2)ccc1[N+](=O)[O-]	272714680	YMDKBKHFNQQMBH-UHFFFAOYSA-N	317.301	1.664	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H]2CCCc3c2cnn3C)nc1	276018300	UWXPXZCTFZRMHN-LBPRGKRZSA-N	316.365	1.527	50	20	DDGD	
Cc1cccc(NNC(=O)C(C)(C)NC(=O)C(F)(F)F)c1	277084126	ATLJPZZHIUPGPZ-UHFFFAOYSA-N	303.284	1.895	50	20	DDGD	
CCC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	281403281	YSCVXVAOUZPMSV-UHFFFAOYSA-N	305.378	1.826	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H]1CC12CCOCC2	373942991	MLHAFXYOLNRLOI-GFCCVEGCSA-N	303.362	1.964	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)NC1CCSCC1	287491942	RDYBGMIVXPVUCX-UHFFFAOYSA-N	319.394	1.184	50	20	DDGD	
Cc1cccc(C(=O)NN[C@H](C(=O)NC2CC2)c2ccccc2)n1	281005523	OJSXEUBNJSPSNT-INIZCTEOSA-N	324.384	1.644	50	20	DDGD	
CC(=O)N1CCC(CNC(=O)NNc2ncccc2F)CC1	287514768	VDSLWAWMVYNFLV-UHFFFAOYSA-N	309.345	1.105	50	20	DDGD	
N#Cc1ccc(NC(=O)NNC(=O)[C@H]2CCCCO2)c(Cl)c1	297092375	NJRXOBVAGYDVHH-GFCCVEGCSA-N	322.752	1.933	50	20	DDGD	
COCCN(CCOC)C(=O)/C(C#N)=C\c1ccc(F)cc1	298146833	RWYBRLBZACMYNH-KAMYIIQDSA-N	306.337	1.854	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)O1	294092780	CYRFAEFSYVEKHO-CBRVECNMSA-N	324.327	1.783	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CC[C@H](C)C[C@@H]1C	298539441	MYQCVZQLBJODPJ-ZFWWWQNUSA-N	317.433	1.805	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12	808248798	SICPEUZQITYJTG-CPCISQLKSA-N	311.234	1.703	50	20	DDGD	
O=C(C[C@H]1CCCC(=O)N1)NNC(=O)Nc1cccc(Cl)c1	291561849	CNQJUOHWQCZSKI-LLVKDONJSA-N	324.768	1.552	50	20	DDGD	
Cc1nc(NC(=O)NNc2ccc(C(F)(F)F)cn2)nn1C	296634067	ACFBRLKJMBIWDM-UHFFFAOYSA-N	315.259	1.686	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Cc2ccccc2F)c(C2CC2)n1	291827129	RWKWSONRPJDTMX-UHFFFAOYSA-N	316.336	1.440	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)OC[C@@H]2CCCO2)s1	299376350	NVZBNWPCRPUWJR-QWRGUYRKSA-N	312.391	1.402	50	20	DDGD	
Cc1cc(Cl)nc(CNC(=O)NNC(=O)[C@@H]2CCCO2)c1	292730289	SLVQTRCMLSNGPQ-JTQLQIEISA-N	312.757	1.053	50	20	DDGD	
O=C(C[C@@H]1Oc2ccccc2NC1=O)NNc1ncccc1F	804217865	JRQDDBLUZKRFIJ-LBPRGKRZSA-N	316.292	1.454	50	20	DDGD	
Cc1cc(O)nc2cc(C(=O)NNc3ncc(F)cn3)ccc12	809738637	CODPEPZJNJLCGL-UHFFFAOYSA-N	313.292	1.935	50	20	DDGD	
CCN1CCO[C@H](C(=O)NNc2cccc(C(F)(F)F)n2)C1	806903077	CIJMGFOHZGIMEB-VIFPVBQESA-N	318.299	1.264	50	20	DDGD	
COc1nccnc1NNC(=O)c1coc2c1C(=O)CCC2	295028533	VJUKFJIDJVDAJK-UHFFFAOYSA-N	302.290	1.354	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc3c(c2)CCCC3=O)[nH]n1	294497880	JESJDUCFSWLSFN-UHFFFAOYSA-N	312.329	1.312	50	20	DDGD	
O=C(CC1CCSCC1)NNc1ccc(-n2ccnc2)nn1	804954869	RTCTWSRKQBIHQB-UHFFFAOYSA-N	318.406	1.639	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1c[nH]c2ncccc12	807369989	SKTDPZWWOCCABW-UHFFFAOYSA-N	320.349	1.113	50	20	DDGD	
C[S@@](=O)c1cccc(NC(=O)NNc2ncncc2F)c1	814637870	GPTWCHBQUDMWFK-OAQYLSRUSA-N	309.326	1.502	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NN=Cc3cnn(C)c3N)cc2C1	814760068	YYNHUZCAFALFEO-VIFPVBQESA-N	317.418	1.953	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=Cc1cnn(C)c1Cl	814717874	CHAGEEOCAOBVDO-UHFFFAOYSA-N	316.752	1.794	50	20	DDGD	
COc1cccc(-c2n[nH]cc2C=NNC(=O)CN(C)C)c1	814832291	LCTWZKNAFJWWIC-UHFFFAOYSA-N	301.350	1.097	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)c1nnc2ccccc2n1	810404526	SAJKZJOTDTZVAH-UHFFFAOYSA-N	317.312	1.725	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	812534946	QSXFOYXQMIRKKB-UWVGGRQHSA-N	311.338	1.965	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CC[C@@H]2CNc3cccc1c32	814865682	WHQWPFLNCGJTOG-NWDGAFQWSA-N	317.389	1.861	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)NOC/C=C\Cl)c1	812707289	IRCQXWSPIBTDHY-UTCJRWHESA-N	319.770	1.400	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)c2cccc(C)n2)n1C	814921362	IYGPMWJGYPSFKP-UHFFFAOYSA-N	300.318	1.279	50	20	DDGD	
CC(=NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cnnn1C	814728098	LKVIQMRTZLSZLN-UHFFFAOYSA-N	301.394	1.872	50	20	DDGD	
CN(C)c1cc(C#N)cc(C(=O)NNC(=O)c2ccccn2)c1	814358636	QRGALAMASQHUCZ-UHFFFAOYSA-N	309.329	1.094	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc2c(c1)OC(F)(F)O2	819807939	XIFLNWUBUBHJIQ-UHFFFAOYSA-N	315.276	1.678	50	20	DDGD	
CCn1c(C)cc(C=NNC(=O)[C@@H](C)CN2CCOCC2)c1C	728226267	KXIHIOHPZXALKY-ZDUSSCGKSA-N	320.437	1.543	50	20	DDGD	
Cc1ccccc1S(=O)(=O)NNC(=O)c1cccc(C#N)c1	728853976	FBVOVPMXVVAPAS-UHFFFAOYSA-N	315.354	1.490	50	20	DDGD	
CCN(CCO)NC(=O)Cc1nc(-c2ccc(F)cc2)cs1	823873987	JWSIVICYJIEJQV-UHFFFAOYSA-N	323.393	1.837	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)CSC(F)F)cn1	726897763	PWQCSJMBGPPJDL-UHFFFAOYSA-N	322.362	1.364	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C	496765963	ZGXPGCVDDJGVIL-NXEZZACHSA-N	316.402	1.228	50	20	DDGD	
CN(NC(=O)Nc1ccc(F)c(N2CCOC2=O)c1)C1CC1	496173810	PHTPQPKYMGKEJQ-UHFFFAOYSA-N	308.313	1.913	50	20	DDGD	
CCc1ccc(C(=O)NN(C)C(=S)NCCCOC)cc1	726076601	ZDNAKTLCISIKPD-UHFFFAOYSA-N	309.435	1.737	50	20	DDGD	
N#Cc1cccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1	826386416	CQSMTEBPBCXFBG-UHFFFAOYSA-N	305.301	1.495	50	20	DDGD	
CCN(CCO)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F	823889189	LITNLGVHNNZRLB-UHFFFAOYSA-N	321.255	1.573	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCOCCF)c1C	824320867	MNUAOVVTYMBCEG-UHFFFAOYSA-N	313.329	1.394	50	20	DDGD	
COCCSc1ccc(NCc2ccc(B(O)O)cc2)cc1	585016035	FMQFDWMDFLQEEO-UHFFFAOYSA-N	317.219	1.717	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNc1cc(Cl)ccn1	827972811	BWYBROXNZPMHMW-KWQFWETISA-N	314.773	1.949	50	20	DDGD	
Cn1cc(C(=O)NN=CC(C)(C)CNC(=O)OC(C)(C)C)cn1	496075567	HIPPLDUXDPAOGU-UHFFFAOYSA-N	323.397	1.687	50	20	DDGD	
O=C(/C=C\c1ccc2[nH]ccc2c1)NNC(=O)N=c1cc[nH]cc1	493690562	PDYXPCMXWYUPOI-RQOWECAXSA-N	321.340	1.851	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(C(=O)OC)c(Cl)c1	494556973	ZSRLYBNOYQIGNT-UHFFFAOYSA-N	315.713	1.909	50	20	DDGD	
COC[C@H](NCc1cccc(B(O)O)c1)c1ccc(Cl)cc1	585039168	PFIFNOKRXGAOHW-INIZCTEOSA-N	319.597	1.497	50	20	DDGD	
C[C@H](CNC(=O)[C@@]1(C)C[C@@H]1Br)N1CCCCC1=O	907647942	ORJLBXGWSCUQPL-NRUUGDAUSA-N	317.227	1.677	50	20	DDGD	
C[C@H](CNC(=O)OC(C)(C)C)NC(=O)NNC(=O)C(C)(C)C	495458705	MKLWLDBPAKKWEI-SECBINFHSA-N	316.402	1.276	50	20	DDGD	
CC1(C)CCc2cc(NCc3ccc(B(O)O)o3)ccc2O1	585045183	CKTRRGYVVSGHFN-UHFFFAOYSA-N	301.151	1.675	50	20	DDGD	
C[C@@]1(c2cccs2)C[C@@H]1CNC(=O)c1ccc(B(O)O)cc1	584944784	NAVUGONIMNVEES-MLGOLLRUSA-N	315.203	1.136	50	20	DDGD	
C/C(Cl)=C/C(=O)NNC(=S)NCCc1cccs1	900050837	JWYMZPBFAJRLPU-FPLPWBNLSA-N	303.840	1.929	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)/C=C\c2ccc[nH]2)cc1	491990361	MJSHGYIKNMGIPB-YVMONPNESA-N	310.313	1.126	50	20	DDGD	
O=C(NC[C@@H]1[C@H]2CCc3ccccc3[C@H]21)c1cccc(B(O)O)c1	584963647	BJQJCKARNLGMTR-KZNAEPCWSA-N	321.185	1.072	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C	492970409	YUFFFNOELFFVDF-UHFFFAOYSA-N	317.323	1.151	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@](C)(OC)C2CC2)ccc1F	837039047	MNRYBQFSDFETAA-OAHLLOKOSA-N	310.325	1.871	50	20	DDGD	
CC(C)OC(=O)[C@@H](C)CNC(=O)NNc1cccc(C(=O)O)c1	833504794	PCUZWEBHVLRBGY-JTQLQIEISA-N	323.349	1.599	50	20	DDGD	
OB(O)c1cccc(CNc2ccccc2CN2CCCC2)c1	585012704	CQSJLNMOGNQSPW-UHFFFAOYSA-N	310.206	1.574	50	20	DDGD	
CCN1C[C@@H](NC(=O)NNc2ccc(Cl)c(F)c2)CC1=O	838674959	JFBSYTWVWKCGON-VIFPVBQESA-N	314.748	1.726	50	20	DDGD	
C[C@]1(C(=O)NCCCOC[C@H]2CCCO2)C[C@@H]1Br	906672373	XBQMBUPEFKOUBM-MDZLAQPJSA-N	320.227	1.862	50	20	DDGD	
CCCN1CCC[C@H](C(=O)NNC(=S)NC(C)(C)C)C1	905341952	GJMLUHQPBMVOBK-NSHDSACASA-N	300.472	1.402	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCCCCC1)c1cnn(C)n1	834932100	AMRCICFZTSKEBX-GFCCVEGCSA-N	306.414	1.167	50	20	DDGD	
CC(C)[C@]1(C)C[C@H]1NC(=O)NNc1nc(O)c2cnn(C)c2n1	838763824	LQJXNRMYUUFHLM-OTYXRUKQSA-N	319.369	1.130	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(C(=O)NNC(=O)C(C)(C)O)cc1Cl	836784327	SACHNCVVVUXWOR-UHFFFAOYSA-N	315.713	1.089	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cc(F)cc(F)c1	831932420	DBPNUVOTPKOFSZ-NEPJUHHUSA-N	311.288	1.709	50	20	DDGD	
COCCN(C)NC(=O)CSc1ccc2c(c1)OCCO2	837620529	BOQGGOMUNFJCDP-UHFFFAOYSA-N	312.391	1.159	50	20	DDGD	
CN(C)c1cc(C(=O)NNc2cnnc3ccccc23)ccn1	733811103	FFBUYCJCUUSMAR-UHFFFAOYSA-N	308.345	1.848	50	20	DDGD	
CC(=NNC(=O)c1ncon1)c1cc2c(C)nn(C)c2s1	901285706	KAIQWWDDGWQLNS-UHFFFAOYSA-N	304.335	1.480	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCC[C@@H]2Cc2ccccn2)cc1	585047609	SGEPUXABNFAWGM-QAPCUYQASA-N	310.206	1.262	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@@H]2CCC[C@H](C(=O)O)C2)c1	833073935	KMUMAQWXESIXED-OLZOCXBDSA-N	315.329	1.210	50	20	DDGD	
NCCCCCCNC(=O)NNC(=O)c1cc2c(s1)CCC2	831248341	GDLZVTJXPZQQEB-UHFFFAOYSA-N	324.450	1.700	50	20	DDGD	
CN(C)c1cccnc1CNC(=O)[C@@]1(C)C[C@H]1Br	908276019	CFISQWNKEACDHW-YPMHNXCESA-N	312.211	1.937	50	20	DDGD	
CC(C)[C@H](NC(=O)O)C(=O)NNc1cccc2cnccc12	833468261	NUHFLHRNKKRBOC-ZDUSSCGKSA-N	302.334	1.970	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCO2)NNc1nccnc1Cl	734261476	CUYOPWZTAMUPQY-UHFFFAOYSA-N	304.737	1.751	50	20	DDGD	
Cc1ncc(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)s1	737492418	SAFPMGGRTZBGBD-UHFFFAOYSA-N	313.346	1.396	50	20	DDGD	
C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1CC(=O)NNC(=O)C1CC1	830438992	ADFZBWILCDAMRQ-DVOMOZLQSA-N	315.417	1.810	50	20	DDGD	
C[C@H]1CCC[C@H](NC(=O)NNC(=O)N=c2cc[nH]cc2)CC1	838565933	LEPALLDIFHPINI-RYUDHWBXSA-N	305.382	1.808	50	20	DDGD	
Cc1cnnn1-c1ccc(NC(=O)NNC(=O)C(C)C)cc1	831993218	QCNHFWGQYYGLTB-UHFFFAOYSA-N	302.338	1.384	50	20	DDGD	
CC1(C)C[C@@H](CNCc2ccc(B(O)O)o2)c2ccccc2O1	585044248	CLTBXRUIQCSLIU-LBPRGKRZSA-N	315.178	1.394	50	20	DDGD	
C[C@H](N)C[C@@H](C)NC(=O)NNC(=O)c1cn(C)c2ccccc12	831203799	ZTCXBYGQZUMPEH-WDEREUQCSA-N	317.393	1.248	50	20	DDGD	
COC1([C@H](C)NCC(=O)NNC(=O)c2cccs2)CCC1	839660627	NRKCIUCSVSRGFZ-JTQLQIEISA-N	311.407	1.056	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@H]1C[C@H]2CC(=O)[C@@H]1C2	837587872	LQXIUVNDZVSOBP-YIZRAAEISA-N	307.281	1.792	50	20	DDGD	
O=C(Cn1ccc2ccc(Cl)cc21)N1CC[C@@H](B(O)O)C1	585067520	XMFLLUHQVHDPRX-LLVKDONJSA-N	306.558	1.370	50	20	DDGD	
Nc1ccc(C(=O)NN=Cc2ccc(O)c([N+](=O)[O-])c2)cc1	916263602	MWCFHLNHWGNNPF-UHFFFAOYSA-N	300.274	1.647	50	20	DDGD	
Nc1cc(C(=O)NN=Cc2ccccc2O)cc([N+](=O)[O-])c1	916345164	NFUGIXOLJFLWSK-UHFFFAOYSA-N	300.274	1.647	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])[C@H]1CCCN1C1CCCC1	749260414	BBMPEJBXXOUBRS-CYBMUJFWSA-N	319.365	1.840	50	20	DDGD	
O=C(NN=Cc1ccc(O)cc1O)Nc1ccc(C(=O)O)cc1	743443953	ZJNIWBUSFRSIAS-UHFFFAOYSA-N	315.285	1.952	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)c2cscn2)c1	744881836	YZINMUBLEFYMMW-UHFFFAOYSA-N	319.342	1.070	50	20	DDGD	
CCON1CCC(CC(=O)NNc2cccc(OC)n2)CC1	831881746	IUIDEJHGMQFJEX-UHFFFAOYSA-N	308.382	1.587	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2cccc(F)n2)n1	748035693	RKHBBEYRBFYHFF-UHFFFAOYSA-N	306.301	1.154	50	20	DDGD	
Cc1cc2c(cc1C)O[C@@H](C(=O)NNC(=O)C1CCCC1)C2	742532669	GYIDZIQOPMQEKG-OAHLLOKOSA-N	302.374	1.945	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccccc1-n1cccn1	918367575	ZRLXFOBYIQOXOS-UHFFFAOYSA-N	312.251	1.586	50	20	DDGD	
CSc1ccc2c(c1)CCCC2=NNC(=O)C(=O)NC1CC1	748134259	VBURUJMTQRECSC-UHFFFAOYSA-N	317.414	1.844	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NNC(=O)C(C)C)c(C)c1	749152566	UHJBCHZJUQWTKL-UHFFFAOYSA-N	300.380	1.359	50	20	DDGD	
CCn1ncnc1C=NNC(=O)Cn1c(C)nc2ccccc21	848401470	ZGAXUKSFYCJSKT-UHFFFAOYSA-N	311.349	1.106	50	20	DDGD	
CCOCCCNC(=O)NNc1ccc(CC(=O)OC)cc1	844846529	BNNCPPZCWKEHBU-UHFFFAOYSA-N	309.366	1.455	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1F	843278212	YMEPUJNUBGJVBS-MWLCHTKSSA-N	311.382	1.877	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)CSC(C)C	914465332	RVXLSNKTIUPGAF-UHFFFAOYSA-N	311.407	1.396	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1ccccc1[N+](=O)[O-]	748137338	AMPNLQQMZZFDEH-UHFFFAOYSA-N	304.306	1.057	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@H](C)C1CCCCC1	748635160	OGKQOKTUDUQAPF-VXGBXAGGSA-N	315.414	1.337	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2cnccc2C)c1	742033193	JZYKRWNDDOGXNO-UHFFFAOYSA-N	313.357	1.847	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)NCCC1CC1	745899013	CYDXHVYTMIKHKS-UHFFFAOYSA-N	322.321	1.104	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)c1ccccc1F)C(=O)N2	916292281	VOEXBFAYECTPCA-UHFFFAOYSA-N	313.288	1.921	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)N[C@H](CN)C2CC2)cc1	841945940	FIEGDTVNHUARLZ-CQSZACIVSA-N	318.421	1.665	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(C#N)cc2)cc1	917031626	MTKHLNSECCDPKS-UHFFFAOYSA-N	306.325	1.956	50	20	DDGD	
Cc1c(C(=O)NNC(=O)N2CCOCC2)oc2c(F)cccc12	745992242	XELUCRSAIILCKL-UHFFFAOYSA-N	321.308	1.567	50	20	DDGD	
CO[C@H](C=NNC(=O)COc1ccc(C)c(C)c1)[C@H]1CCOC1	841606426	HFFHZYIRJOEZKA-GOEBONIOSA-N	320.389	1.836	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1CC(=O)NNc1nc(-c2cccnc2)no1	746240926	CSVUYUKZGXPMLB-PHIMTYICSA-N	316.365	1.448	50	20	DDGD	
Cc1c(NNC(=O)c2ccn(C)c(=O)c2)cccc1[N+](=O)[O-]	748694685	YFFGBGOCCMCWKL-UHFFFAOYSA-N	302.290	1.359	50	20	DDGD	
CCN1C[C@H](CNC(=O)NNc2cccc(F)c2F)CC1=O	845492754	HOFVHPWVVSOPDS-VIFPVBQESA-N	312.320	1.459	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNC(=O)CCOc1ccccc1	847406959	QLXKZMLWIDDVBQ-LBPRGKRZSA-N	322.361	1.192	50	20	DDGD	
CCC(CC)(C(=O)O)C(=O)NNc1nc(-c2cccnc2)no1	846710137	GKONQBOQQQVWCL-UHFFFAOYSA-N	319.321	1.466	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)N[C@H]1CCCNCC1	841977558	MYEIIRWMLUUGQT-LBPRGKRZSA-N	316.361	1.519	50	20	DDGD	
COCCOCC(C)=NNC(=O)COc1ccc(C#N)cc1	741161125	IMOSQTHAWWWZJU-UHFFFAOYSA-N	305.334	1.092	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CSc2ccccn2)cc1	742447550	SUGXQNIRWONFLP-UHFFFAOYSA-N	312.354	1.507	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)C(C)(C)C)NC(=O)OC(C)(C)C	742544419	SGTIQXKRCGIKFE-SECBINFHSA-N	301.387	1.483	50	20	DDGD	
CC[C@H](OC1CCCCC1)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843653206	MQDFEHZKOMCHJT-YUTCNCBUSA-N	312.410	1.687	50	20	DDGD	
CC(=NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1ccccc1C(=O)O	844612949	WBOOGEYKKDDYRQ-LERXQTSPSA-N	302.330	1.793	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNc1ccc(S(C)(=O)=O)cc1	841409192	PCJWNGPGJYYVNS-ZDUSSCGKSA-N	314.407	1.594	50	20	DDGD	
CCCNC(=S)NNC(=O)[C@@H](C)CN1CCCCCC1	747726411	UFQIYOYZPKFQET-LBPRGKRZSA-N	300.472	1.404	50	20	DDGD	
C[C@]1(CNC(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H]1Br	857399654	SGPKJVHOPULCAB-OIBJUYFYSA-N	317.143	1.081	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@@H]2CC[C@H](O)C2)C[C@H]1Br	856954725	KQNSOMQIOXIPPC-DTHBNOIPSA-N	305.216	1.620	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCc2cc(OC)no2)cc1	854215871	QFXBARUZBPSQJL-UHFFFAOYSA-N	317.345	1.639	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cc1n[nH]c2c1CCCC2)C1CC1	855099765	MTNOUZBZGDYZAA-SECBINFHSA-N	321.450	1.125	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCC[C@H](O)c1ccccc1	854287735	MDZHDLRQAFLDJP-HNNXBMFYSA-N	315.373	1.690	50	20	DDGD	
CCc1ccc(C#CC(=O)NNC(=S)NCC2CCC2)cc1	855087745	POHNPOPYIBKIPR-UHFFFAOYSA-N	315.442	1.896	50	20	DDGD	
COc1ccc(NCC(=O)NN=C2CN(C(C)C)C[C@@H]2C)cc1	754256696	YTYAWOSADKDZGG-ZDUSSCGKSA-N	318.421	1.939	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@@H](CCO)C1	757108416	RJHXYMKVAMGZKS-ZDUSSCGKSA-N	313.829	1.973	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2[nH]c(C)nc2C)c1	856721625	BTHLNIMZRUCVHK-UHFFFAOYSA-N	316.361	1.483	50	20	DDGD	
COc1ccc(OC)c(NC(=O)NNC(=O)c2ccccn2)c1	755390110	UXWSSGIDLOLCJA-UHFFFAOYSA-N	316.317	1.565	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNC(=O)c1ccc(OC)cc1OC	859245836	HZNWZFSJEWTIEK-ZDUSSCGKSA-N	324.377	1.670	50	20	DDGD	
CC(C)C1CCC(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1	858695044	DJUPSVSTZUHLJU-BPCQOVAHSA-N	324.425	1.058	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)C2CCC2)CC(c2ccccc2)=NO1	857121442	XTZFJGINCPLWPX-MRXNPFEDSA-N	301.346	1.517	50	20	DDGD	
CC(Cc1cccc(F)c1)=NNC(=O)CNC(=O)c1ccco1	759196305	KDNYWRKIJKOIOY-UHFFFAOYSA-N	317.320	1.883	50	20	DDGD	
CC(=O)NNC(=O)c1cnc2c(c1)c(C)nn2-c1ccccc1	920430347	KITRNFDSIMJBHB-UHFFFAOYSA-N	309.329	1.510	50	20	DDGD	
CCOCCOCCCC(=O)NNc1ccc(Cl)nn1	857129753	NJDLORGIBGJKIC-UHFFFAOYSA-N	302.762	1.406	50	20	DDGD	
CCCOC(=O)c1ccc(NC(=O)NNC(=O)COC)cc1	755842832	ZUGUXPCFEGSEPN-UHFFFAOYSA-N	309.322	1.053	50	20	DDGD	
CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1C	920384873	RCEMTQHIHXYWQC-LBPRGKRZSA-N	309.391	1.205	50	20	DDGD	
COCCCN(C)CCNC(=O)NNc1ccc(C)c(F)c1	853786242	RTUIUGXBHKEJHV-UHFFFAOYSA-N	312.389	1.729	50	20	DDGD	
O=C(NNC(=O)c1cnc2nccnc2c1)NC1CCCCC1	759356155	GKSNFUQKVHZRHB-UHFFFAOYSA-N	314.349	1.302	50	20	DDGD	
Cc1cccn2cc(CC(=O)NNC(=O)c3ccccn3)nc12	750600354	JZAOSZHYYIGTID-UHFFFAOYSA-N	309.329	1.041	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)COc1ccccc1F)n1ccnc1	920436108	VHKVGFOZIDPMIP-NSHDSACASA-N	320.324	1.200	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@H]2CCCCN(C)C2)n1	858768194	OCXZSPGFCHQGMA-GFCCVEGCSA-N	322.413	1.152	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCc2cc(C)on2)cc1	929289763	FVWBZSHTDWFBNT-UHFFFAOYSA-N	301.346	1.939	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)NCC1CC=CC1	858096542	HJUWTQIPNCSGSN-UHFFFAOYSA-N	307.325	1.501	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)C(=O)Nc2ccccn2)C1(C)C	758390212	NWYQCPHWQOPIEG-NSHDSACASA-N	304.350	1.327	50	20	DDGD	
COc1ccc(OCC(=O)NN=C2CN(C3CC3)C[C@H]2C)cc1	755879011	GXXOFKVEQDHGNK-GFCCVEGCSA-N	317.389	1.660	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2cnc3ncccn23)n1	755612626	OEPUQBHTCYVSJU-UHFFFAOYSA-N	300.347	1.187	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NC[C@H]1CCN(C(N)=O)C1	854432691	BJJQINWBSOEGOE-GKWYLQRDSA-N	316.336	1.249	50	20	DDGD	
C#CCOc1cccc(NC(=O)NNC(=O)c2cccnc2)c1	756480273	UOVDHNDVAOYKEA-UHFFFAOYSA-N	310.313	1.560	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@H]1CCc2nnn(C)c2C1	855370373	WUQAPDZRNWEKIQ-JTQLQIEISA-N	303.341	1.511	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2cnc3n2CCCCC3)n1	857173209	BDMZPKMMICYBNU-UHFFFAOYSA-N	321.772	1.392	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1cccc(O)c1)OCC(F)(F)F	856025989	HONASZFBAFULRV-VHSXEESVSA-N	318.251	1.815	50	20	DDGD	
Cc1cccc(C)c1OCCC(=O)NNC(=O)Cc1cc[nH]n1	755289648	ROOJXCHZYQJMHS-UHFFFAOYSA-N	316.361	1.186	50	20	DDGD	
Cc1nn2cccnc2c1C(=O)NNc1ncccc1[N+](=O)[O-]	759303898	PTLNJILNIDRYFD-UHFFFAOYSA-N	313.277	1.098	50	20	DDGD	
CCC[C@@H](C(=O)NNc1cc(F)ccc1C)S(N)(=O)=O	855370460	YXCUZULQDQYIST-NSHDSACASA-N	303.359	1.034	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccn(-c2ncccc2F)n1	757782812	HWBKHLDZGWBUML-UHFFFAOYSA-N	318.312	1.359	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)NNc1ccnc(Cl)c1	855469092	SPLGDCQCQSDCBM-UHFFFAOYSA-N	305.787	1.249	50	20	DDGD	
CC[C@@H](C)n1ncc(C(=O)NNC(=O)c2cc[nH]n2)c1C1CC1	855358005	XZHLHYOUSDQXEK-SECBINFHSA-N	316.365	1.529	50	20	DDGD	
C[C@H](c1ccccc1)[C@@H](O)CNC(=O)NNC(=O)C(C)(C)C	852083860	MPAWZYQFGZSPQK-YPMHNXCESA-N	307.394	1.528	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)NCC1C2CC3CC(C2)CC1C3	931824725	TXWZYKNGHKVMDN-IBEXFIOLSA-N	307.438	1.594	50	20	DDGD	
COc1ccccc1N1CCC(=NNC(=O)c2cc[nH]n2)CC1	853392742	SWZOYTHKLZOWEW-UHFFFAOYSA-N	313.361	1.805	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](C)n2cccn2)c1C	855627386	LWPPRWKCUVJOLR-NSHDSACASA-N	302.334	1.682	50	20	DDGD	
CCc1c(C(=O)NNC(=O)CC(F)(F)F)cnn1C(C)(C)C	855001701	JKTKCIMPQOSHBR-UHFFFAOYSA-N	320.315	1.914	50	20	DDGD	
Cn1c(=O)oc2cc(C=NNC(=O)NCC(F)(F)F)ccc21	754941003	CKDBYILKCMHZJK-UHFFFAOYSA-N	316.239	1.327	50	20	DDGD	
C=CCNC(=S)NNC(=O)C1=Cc2cc(OC)ccc2OC1	755624356	WDIAYNKWJYQJHK-UHFFFAOYSA-N	319.386	1.152	50	20	DDGD	
O=C(CCSc1ccc(F)cc1)NNC(=O)C1CSC1	864505842	UMIDYGNUDQPDJX-UHFFFAOYSA-N	314.407	1.818	50	20	DDGD	
COC[C@@H]1CN(S(=O)(=O)CC(C)(C)CCl)C[C@@H](C)O1	867159490	YNLRWPAUAGAJBE-MNOVXSKESA-N	313.847	1.317	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)CCCc2ccccc2)nn1	766446638	ZMCBVXFUKHZMPJ-UHFFFAOYSA-N	315.377	1.472	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)C1CC(F)(F)C1	863125927	AXWLZSJKTXNDKA-NEPJUHHUSA-N	301.337	1.387	50	20	DDGD	
COc1cc(C(=O)NN[C@H](C)C(F)(F)F)cc2c1OCCO2	862304324	AGPNEMHTLAQRIB-SSDOTTSWSA-N	320.267	1.652	50	20	DDGD	
C[C@H](NNC(=O)[C@H]1CC(c2cccnc2)=NO1)C(F)(F)F	862316512	CXYNFLCFNDVYDN-OIBJUYFYSA-N	302.256	1.146	50	20	DDGD	
CC(C)c1nn(C)c(Cl)c1C(=O)NNc1ncc(F)cn1	760911932	KFDQTQRSUGHWRA-UHFFFAOYSA-N	312.736	1.883	50	20	DDGD	
C[C@H](NNC(=O)c1ccc(Cn2cncn2)cc1)C(F)(F)F	862306574	LWWAIRWTJIGRQU-VIFPVBQESA-N	313.283	1.512	50	20	DDGD	
O=C(NN=C1CCN2CCC[C@@H]12)[C@H]1COc2ccccc2O1	765555944	UBFQEONLWVPZBC-SWLSCSKDSA-N	301.346	1.167	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)N(C)NC(=O)OCc1ccccc1	862288518	NOGKCCMZGCZZSP-GFCCVEGCSA-N	322.361	1.876	50	20	DDGD	
CN(CC(=O)NNc1cccc([N+](=O)[O-])c1)[C@H]1CCSC1	764997338	JQBDVSBMMNUZHT-LBPRGKRZSA-N	310.379	1.475	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCc1ccc(C)o1	868969983	RWVJBOBVZZKQGF-UHFFFAOYSA-N	317.345	1.670	50	20	DDGD	
O=C(O)CC1(CC(=O)NNC(=O)c2ccccc2)CCCC1	767168786	ZOUJFMXGRADMMF-UHFFFAOYSA-N	304.346	1.873	50	20	DDGD	
Cc1nn(C(C)(C)C)c(C)c1C(=O)NNC(=O)c1cn[nH]c1	862474993	VHNWSXCLEOXERK-UHFFFAOYSA-N	304.354	1.053	50	20	DDGD	
CC(=NNC(=O)c1cc(C)[nH]n1)c1ccc(-n2cncn2)cc1	764793501	OFJQBWVSMNNCRS-UHFFFAOYSA-N	309.333	1.453	50	20	DDGD	
CCc1ccc([C@H](C)CC(=O)NNC(=O)c2cn[nH]c2)cc1	862472057	TZSDSZOFAWWKCX-LLVKDONJSA-N	300.362	1.927	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H](C)OC2CCCCCC2)n[nH]1	869013714	HDHAELPGLYOWTF-LBPRGKRZSA-N	322.409	1.536	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCCC1(O)CCOCC1	867260374	ZSKKELLRBQTUGJ-UHFFFAOYSA-N	313.847	1.102	50	20	DDGD	
CC1=CCN(CCNS(=O)(=O)CC(C)(C)CCl)CC1	867107736	BZVOONLHSYWIPF-UHFFFAOYSA-N	308.875	1.823	50	20	DDGD	
CCC1(CC)[C@H](NC(=O)NNc2nccc(OC)n2)C[C@H]1OC	767162462	VLFDIXSXLGSJCT-GHMZBOCLSA-N	323.397	1.705	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)CCC1(O)CCC1	865053211	KFSGFUBCPKGAPP-UHFFFAOYSA-N	306.362	1.298	50	20	DDGD	
Cc1nnc(NNC(=O)c2ccc(F)c(Cl)c2F)nc1O	761041665	ROJTUBDGEZWYCH-UHFFFAOYSA-N	315.667	1.574	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccccc1Cl)[C@@H]1CCOC1	1116911393	QPSYJPMLANAIPV-VHSXEESVSA-N	311.769	1.709	50	20	DDGD	
COC(=O)c1ccnc(NC(=O)NNc2cccc(OC)n2)c1	770681121	HTZGTRFNJDDORZ-UHFFFAOYSA-N	317.305	1.420	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccc(Oc2cccnc2)c(C)c1	1116191751	NTAXSDKMLNFTKS-UHFFFAOYSA-N	313.313	1.805	50	20	DDGD	
C=CCOc1cccnc1C(=O)NNC(=O)c1ccc(C)o1	775538459	GIYJGMBRFHCPKD-UHFFFAOYSA-N	301.302	1.623	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCC(=O)c1ccccc1	771867692	NWVIBADKXOEBDA-LLVKDONJSA-N	320.345	1.139	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2ccc(Cl)cc2Cl)C1=O	773456329	SQBMOAFCUALHPX-QMMMGPOBSA-N	302.161	1.915	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)c1cc(Cl)cnc1Cl	872334042	JUNZTZPIGKJDII-UHFFFAOYSA-N	312.178	1.354	50	20	DDGD	
CCCCCCNC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1118813881	PKXITSANYFOLQK-ZWNOBZJWSA-N	319.243	1.973	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)Cc2c[nH]c3ccccc23)CCO1	776336144	GAVXXOIEVQLMIL-RYUDHWBXSA-N	315.373	1.673	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1c(Cl)nc2ccccn12	872401608	BTWRQTLPUUGQCR-UHFFFAOYSA-N	324.768	1.491	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@H]1CC[C@H](C)C1	776452068	GCSQBBPRPSPRDY-RYUDHWBXSA-N	305.378	1.691	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1cc2ccccc2nc1O	770544143	RTPSSQMZKVBYEJ-UHFFFAOYSA-N	302.334	1.175	50	20	DDGD	
N#CC1=CCN(CC(=O)NCCCN2CCCCCC2=O)CC1	779588069	VJXGRYAFESCGBM-UHFFFAOYSA-N	318.421	1.051	50	20	DDGD	
O=C(NNc1ccccn1)c1ccccc1CN1CCOCC1	777474612	MPPSQFBJWXFGOD-UHFFFAOYSA-N	312.373	1.671	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)c1c(C)nc2ccccn12)C(C)C	771107665	XRQXQOITJOBGMJ-CYBMUJFWSA-N	304.350	1.075	50	20	DDGD	
C=CCOc1ccc(C=NNC(=O)NCC(=O)OC)cc1OC	779820571	FSHSTYXGSDAYPW-UHFFFAOYSA-N	321.333	1.066	50	20	DDGD	
COc1ccc(OCC(=O)NN=C(C)[C@@H]2CCCOC2)cc1	779759417	KFFMYNYSQMXILR-CYBMUJFWSA-N	306.362	1.993	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C1CCN([C@H]2CCSC2)CC1	887149272	PZDLYPRQGHCLNS-AWEZNQCLSA-N	323.462	1.155	50	20	DDGD	
CCCn1cc(NC(=O)C(=O)NNc2ccc(OC)cc2)cn1	783039835	VCFLQYZGVSJXBK-UHFFFAOYSA-N	317.349	1.384	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNc2ccccc2C(F)(F)F)n1	781941313	RGAQPZGGNIUOLV-UHFFFAOYSA-N	324.262	1.956	50	20	DDGD	
COCCCNC(=O)NNC(=S)N[C@@H](C)Cc1ccccc1	786066796	HFNWHSGRYZZZHC-LBPRGKRZSA-N	324.450	1.332	50	20	DDGD	
O=C(NN=C1CCOc2ccc(Cl)cc21)C(=O)N1CCCC1	783835427	MCBVXHNGURYPNP-UHFFFAOYSA-N	321.764	1.565	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2cccc3c2ccn3C)c1	783931302	RGIWZYZCHKCSLM-UHFFFAOYSA-N	323.356	1.964	50	20	DDGD	
C[C@H](OC(=O)/C(C#N)=C\c1ccccc1)C(=O)N(C)CCC#N	785343437	FVQPGWIBGVWWFD-WZMONFQBSA-N	311.341	1.897	50	20	DDGD	
C[C@H](Cc1ccccc1)NC(=S)NNC(=O)CCN(C)C	786057482	GWLWSSLEZUTYOC-GFCCVEGCSA-N	308.451	1.065	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@H]2CCC[C@H](C(N)=O)C2)o1	786845163	LASLQWCFDYOEQL-UWVGGRQHSA-N	319.365	1.404	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NC[C@@H]2C=CCC2)cc1	883843618	OJONPTVETBJCEC-CYBMUJFWSA-N	303.362	1.994	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)COc1ccc(C)cc1)C(F)F	881014146	KOOOIQBNRPQHLL-LLVKDONJSA-N	315.320	1.748	50	20	DDGD	
C#CCOCCNC(=O)NNC(=O)c1cc2ccccc2o1	784349055	CHSAVOBGOYIDQA-UHFFFAOYSA-N	301.302	1.027	50	20	DDGD	
COCC(=NNC(=O)c1ccc(C)cc1O)C1CCOCC1	780213052	XJQYCEFKJVHJOV-UHFFFAOYSA-N	306.362	1.859	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccc(O)cc2O)c1	781034435	GXQWJPVHYRTUIC-UHFFFAOYSA-N	302.286	1.641	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NNc1ncncc1Cl	781820182	NPHKTZJBQKPYBL-PELKAZGASA-N	320.736	1.802	50	20	DDGD	
C[C@H](Cc1ccccc1)NC(=S)NNC(=O)c1cnn(C)c1	786078154	KLLWMHNIIFNTKI-LLVKDONJSA-N	317.418	1.160	50	20	DDGD	
NC(=O)c1ccc(NC(=O)NNc2ncncc2Cl)cc1	780691485	JXPWSTPHSWOSEB-UHFFFAOYSA-N	306.713	1.378	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cccc(C(F)F)c1	780376642	YMISTLQHXJZEAY-QMMMGPOBSA-N	306.334	1.980	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ncc(C#N)cc1Cl	899996441	LIEMOQDXGPIMGH-UHFFFAOYSA-N	311.798	1.514	50	20	DDGD	
C#CCN1CCC[C@@H](NC(=O)NNc2c(F)cccc2F)C1	890371624	ZTBRIORYRRGWSI-LLVKDONJSA-N	308.332	1.689	50	20	DDGD	
Cc1cnccc1CCNC(=O)NNc1nc2ccccn2n1	790435264	ZDQPKIDQFIMJIH-UHFFFAOYSA-N	311.349	1.302	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCC(F)(F)C1	796370971	OLLNAKVHYCPWIK-UWVGGRQHSA-N	320.336	1.547	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21	796210984	WRSWGYUJMVWSTB-IACUBPJLSA-N	304.394	1.706	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1c(Cl)ccc2c1CCO2	797666270	KSKKPJVYYADAPS-UHFFFAOYSA-N	313.741	1.464	50	20	DDGD	
CO[C@H](C)CN(C)CC(=O)NNC(=O)c1cccc(Cl)c1	796642996	VQEIHGBWNWJEHQ-SNVBAGLBSA-N	313.785	1.068	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)NC1CCCC1	793255070	NXPSIPWPXBLWJK-DJANDWOJSA-N	315.417	1.653	50	20	DDGD	
Cn1c(C(=O)NNC(=O)c2ccccn2)cc2ccccc2c1=O	794722078	NFYAPRDGZLCHFB-UHFFFAOYSA-N	322.324	1.008	50	20	DDGD	
O=C(NN=C1CCC[C@H]1c1ccccn1)[C@@H]1CCS(=O)(=O)C1	794889247	QSOPWDXKAKUERZ-NEPJUHHUSA-N	321.402	1.256	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc(O)c(Cl)c2)n1	794089704	IIHQKIZORRBYSS-UHFFFAOYSA-N	305.721	1.824	50	20	DDGD	
O=C(NNc1cc(Cl)cc(Cl)c1)[C@H]1CCS(=O)(=O)C1	791729910	PAFZZXPXLBUKMJ-ZETCQYMHSA-N	323.201	1.871	50	20	DDGD	
CSSCCNC(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C	790875013	BTUZOSUKGNQXBK-BDAKNGLRSA-N	312.482	1.215	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1C#N	799408314	SGJFVWMYMBJTRA-UHFFFAOYSA-N	323.308	1.670	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)COc1cc(C)ccc1C	792797356	LLJSIOKEKLNYQD-BLLLJJGKSA-N	322.405	1.891	50	20	DDGD	
O=C(Nc1cccc(CN2CCCC2)c1)c1cccc(B(O)O)c1	1329322655	DPGQPFGASHQCNF-UHFFFAOYSA-N	324.189	1.215	50	20	DDGD	
CCc1nn(C)cc1NC(=O)NNC(=O)c1ccc(OC)cc1	1321657337	DUYGAYXPZUIBQO-UHFFFAOYSA-N	317.349	1.458	50	20	DDGD	
O=C(c1ccc(Br)s1)N1CC[C@H](B(O)O)C1	585073747	DJMMJOHBRABDRA-LURJTMIESA-N	303.974	1.200	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H](C)N1CCc2ccccc2C1	1323023418	KDKNREMXPILYKA-GFCCVEGCSA-N	320.462	1.337	50	20	DDGD	
CCc1nc(CNC(=O)NNc2ccc(C(C)(C)C)nn2)n[nH]1	1324696686	VODFICVUONCZFK-UHFFFAOYSA-N	318.385	1.281	50	20	DDGD	
C[C@@H](NC(=O)CCc1ccccc1)C(=O)NNc1ccn(C)n1	1327550744	JHFKOYWLRSSIQC-GFCCVEGCSA-N	315.377	1.001	50	20	DDGD	
CN1C(=O)C[C@@H](C(=O)NNC(=O)CC2CC2)c2ccccc21	1324332067	PKIPWYQSMBZCHB-GFCCVEGCSA-N	301.346	1.084	50	20	DDGD	
C[S@](=O)Cc1cccc(C(=O)NNc2ncc(F)cn2)c1	1320289024	XPWMSAQWNBXIDO-NRFANRHFSA-N	308.338	1.251	50	20	DDGD	
Cc1ccc(C(=O)NN=C2CC(=O)N3CCCC[C@@H]23)cc1O	1333657871	XCYJVYCLBJDEFB-ZDUSSCGKSA-N	301.346	1.571	50	20	DDGD	
Cc1nnsc1CNC(=O)NNc1ccc(C(C)(C)C)nn1	1330173243	BVPAWOXTJASHJD-UHFFFAOYSA-N	321.410	1.760	50	20	DDGD	
CC(=NNC(=O)c1cccnn1)c1ccc2c(c1)OCCCO2	1331346298	PFPHXAVIGSKBSA-UHFFFAOYSA-N	312.329	1.792	50	20	DDGD	
O=C(NN=Cc1ccc(Br)o1)C1CCOCC1	1331995390	YAHCJXYQHQGROL-UHFFFAOYSA-N	301.140	1.919	50	20	DDGD	
CS[C@H](C)CNC(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1331359576	RCRIESUPEMTQCO-XLDPMVHQSA-N	323.256	1.144	50	20	DDGD	
CC[C@H](CC(F)(F)F)NC(=O)NNC(=O)c1cccnn1	1331939167	NOCSTCPVLIRQCJ-SSDOTTSWSA-N	305.260	1.152	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2CCCN2CC(C)C)n1	1337212595	XOSRXBNFGVHTAI-CQSZACIVSA-N	304.394	1.271	50	20	DDGD	
Cn1cc(N2CC[C@@H](NC(=O)C3CCC(Cl)CC3)C2)cn1	1346529294	CJMYUNLJKFVOSE-WXRRBKDZSA-N	310.829	1.913	50	20	DDGD	
CN(C)C1(CNC(=O)NNC(=O)c2ccccc2Cl)CCC1	1343260294	OILKZRPNUPCXRN-UHFFFAOYSA-N	324.812	1.768	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2cc([N+](=O)[O-])n[nH]2)nn1	1346498672	BFWKSBGQNHKDLU-UHFFFAOYSA-N	305.298	1.162	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@@H]1CCCCN1C	1353289382	DVTTVOLRHYAULB-LBPRGKRZSA-N	320.393	1.124	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2ccc(C(=O)O)cc2F)nc1	1601092524	SMEYBQPQRCARCR-UHFFFAOYSA-N	300.249	1.547	50	20	DDGD	
O=C(O)C(=O)NN=C1CC2(CCCCC2)Oc2cc(O)ccc21	1601638165	QXNJULRAPSSHBT-UHFFFAOYSA-N	318.329	1.783	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN[C@H](C(=O)O)c1ccc(Cl)cc1	1604833745	FQNNZSRHTIIKPV-UWJYBYFXSA-N	312.753	1.512	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1nc(COC)c(C(=O)O)s1	1605503994	PWPBJJXIBBBFIR-ALCCZGGFSA-N	311.319	1.370	50	20	DDGD	
C[C@H](CNC(=O)NNc1ccc([N+](=O)[O-])cc1F)C(=O)O	1603183717	ACTAJYNOPLYIIB-ZCFIWIBFSA-N	300.246	1.081	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NN=c2cc[nH]c3cccnc23)c1	1605140800	JJAYAUKDJXGGMU-UHFFFAOYSA-N	322.324	1.815	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)Nc1cccc(C(=O)O)n1	1601559731	ZIAIXRPPUCALHW-UHFFFAOYSA-N	317.261	1.837	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@@H]1C(=O)NN=Cc1nccs1	1549308892	GFNBVHSPBDRYSM-JQWIXIFHSA-N	319.390	1.495	50	20	DDGD	
O=C(NN=Cc1nccc2ccccc12)[C@@H]1CN2CCC[C@H]2CO1	1549315977	DIXPRLKGIZKZHK-YOEHRIQHSA-N	324.384	1.548	50	20	DDGD	
CNNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O	1578744201	AOLZWBIIHAKIGL-UHFFFAOYSA-N	307.228	1.367	50	20	DDGD	
Cc1cc(NNC(=O)c2cc3cc(N)ccc3s2)nc(N)n1	1579637955	KOLOXUBHPFTSII-UHFFFAOYSA-N	314.374	1.921	50	20	DDGD	
N[C@@H]1CC[C@H](CC(=O)NNC(=O)c2nc3ccccc3s2)C1	1580387402	CZEPPYMNBJEJNT-VHSXEESVSA-N	318.402	1.575	50	20	DDGD	
N[C@H]1CC[C@@H](C(=O)NNc2cccc(Br)n2)CC1	1580414917	GBOVBTKUZKWSDQ-DTORHVGOSA-N	313.199	1.805	50	20	DDGD	
O=C(NC[C@H]1Cc2ccccc2CN1)NNC(=O)c1ccccc1	1580670641	KEZMARPLQFPQPA-MRXNPFEDSA-N	324.384	1.345	50	20	DDGD	
COC[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843362507	YWVUKVXBLMQBAZ-UWVGGRQHSA-N	306.765	1.007	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(=O)C1CC1	1847520679	BYYFAVLVZPXPSL-WOPDTQHZSA-N	312.797	1.185	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(-c2nn[nH]n2)cn1)C1(C)CC1	1589935113	RQJBCMYOFUYCQD-QMMMGPOBSA-N	302.342	1.076	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)OC)C1	1846401663	PAGCGXWMVZHTTD-VXGBXAGGSA-N	316.829	1.632	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)c1cscc1-c1nn[nH]n1	1593161010	DSNUQXNFMZHRGB-UHFFFAOYSA-N	322.300	1.963	50	20	DDGD	
C[C@]1(CCC(=O)NNc2ccc(F)c(C(=O)O)c2)CCC(=O)N1	1594003204	REYZVXCHGLBERM-OAHLLOKOSA-N	323.324	1.416	50	20	DDGD	
O=C(NNc1cccc(F)c1F)c1cc(-c2nn[nH]n2)ccn1	1593168051	WHGZFAXHZRFKIH-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCCCCCCC(=O)O	1590232653	JPFTYTFLVXFUOZ-UHFFFAOYSA-N	303.359	1.760	50	20	DDGD	
COC(OC)[C@H](C)NC(=O)NNc1ccc(C(=O)O)c(F)c1	1599061926	PATSRJUREWUVPL-ZETCQYMHSA-N	315.301	1.157	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(F)c(Cl)c(C(=O)O)c1	1594712276	DVSHZXKZXGISPE-UHFFFAOYSA-N	303.677	1.740	50	20	DDGD	
CNC(=O)NN=Cc1sc(Br)cc1C(=O)O	1776038922	UWCGHAJVDJOJLQ-UHFFFAOYSA-N	306.141	1.472	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)O)nc1)c1ccc2c(c1)OCO2	1776019342	CXTKRSWKSGCHFI-UHFFFAOYSA-N	313.269	1.272	50	20	DDGD	
CCCC(=O)NN=Cc1c(Br)cc(C(=O)O)n1C	1776107288	SBHWUMGSOKEPCY-UHFFFAOYSA-N	316.155	1.736	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NN=C(C)c1ccc(CC(=O)O)cc1	1776102789	YSGOVLQAJVFXFC-KBPBESRZSA-N	304.346	1.579	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C/c1cc(F)c(C(=O)O)c(F)c1	1776117598	BNEQDODQTUWORK-UNXLUWIOSA-N	300.224	1.830	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc3ccccc3[nH]c2=O)n1	11547696	RIJKAGHEYMTHMW-UHFFFAOYSA-N	309.329	1.692	50	20	DDGD	
C[C@@H]1CCC[C@@H](C(=O)NNC(=O)COc2ccc(C#N)cc2)C1	158377542	UBJSYPDLBRLXJW-TZMCWYRMSA-N	315.373	1.911	50	20	DDGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)c1ccnnc1	153351205	DOBRBNPJQSUOCD-UHFFFAOYSA-N	322.777	1.683	50	20	DDGD	
CNC(=O)c1cccc(OS(=O)(=O)CCCCCl)c1	153406065	SGKARGFOGPAJAT-UHFFFAOYSA-N	305.783	1.774	50	20	DDGD	
CC1CCN(c2cccc(NC(=O)NNC(=O)CCO)c2)CC1	156086997	FFKVEFLVCKRWSS-UHFFFAOYSA-N	320.393	1.458	50	20	DDGD	
CCc1ccccc1NC(=O)C(=O)NNC(=O)c1ccncc1	159838298	JMSJMMXFDBDMOB-UHFFFAOYSA-N	312.329	1.044	50	20	DDGD	
CCOC(=O)c1ccc(NC(=S)NNC(=O)C2CC2)cc1	2783845	YSXGCRFPXHQOKX-UHFFFAOYSA-N	307.375	1.591	50	20	DDGD	
CCO[C@H](CC)C(=O)NNC(=O)c1cccc2ncccc12	106812572	IONPZXVIBPWAET-CQSZACIVSA-N	301.346	1.811	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cc(Cl)cc(Cl)c2)cn1	117680973	YSEKRHUMBMNACI-UHFFFAOYSA-N	313.144	1.802	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCO2)Nc1ccccn1	67296837	NELYHRANYSOXKS-UHFFFAOYSA-N	300.274	1.277	50	20	DDGD	
CCCCCCN(C)CC(=O)NNC(=O)c1ccccc1O	109936295	WJCVIWYXRCKSIY-UHFFFAOYSA-N	307.394	1.665	50	20	DDGD	
CNC(=O)NNC(=O)c1ccccc1OCc1c(C)noc1C	56376634	CCTCMRCNMILKTR-UHFFFAOYSA-N	318.333	1.444	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@H]1OCCc2ccccc21	119597422	NKXPDAWIKNDZRZ-INIZCTEOSA-N	311.341	1.086	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N(C)Cc1cscn1	63182878	AMRSTCZPFMFBIS-UHFFFAOYSA-N	304.375	1.938	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)N[C@@H]1CCc2[nH]ncc2C1	178216167	WUQJUGNPMTZJDD-SNVBAGLBSA-N	316.321	1.502	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2ccc(-n3nccn3)cc2)n1	179763808	YPQMCHAAYBSWHB-UHFFFAOYSA-N	324.348	1.823	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cccc(Cl)c1)CC1CC1	112983817	QDVYVHRCHNWXFZ-UHFFFAOYSA-N	309.797	1.833	50	20	DDGD	
COc1ccnc(C(=O)NNC(=O)c2ccc(Cl)nc2)c1	116175705	LPBHIWOFASQJRF-UHFFFAOYSA-N	306.709	1.213	50	20	DDGD	
Cc1cc(C(=O)N/N=c2/nc(-c3ccccn3)[nH]c(C)c2C)[nH]n1	114891131	DWXKNINMXQSVAG-UHFFFAOYSA-N	323.360	1.366	50	20	DDGD	
Cc1ccccc1C(C)(C)C(=O)NNC(=O)c1cnn(C)c1	172082162	KFXQHCJVEGMGDK-UHFFFAOYSA-N	300.362	1.467	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cccn1C	60794243	KXLBKCAZWYSNFA-JTQLQIEISA-N	305.309	1.393	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cnn(Cc2ccccc2)c1	110761150	JSHDUFPVFCRYFJ-UHFFFAOYSA-N	324.344	1.038	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc(Cl)s1	179546555	YAOKBHJCSJTDOD-UHFFFAOYSA-N	309.869	1.873	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)o1	110103192	KOYFYWGUUPPCMB-SECBINFHSA-N	320.374	1.775	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCC1CCN(c2ccncc2)CC1	179704561	CYCWOULUBBNUJQ-FYWRMAATSA-N	314.389	1.858	50	20	DDGD	
CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NNc1ccncc1	183010201	HLGFLPCDBILSFI-INIZCTEOSA-N	310.357	1.498	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2cncc(Cl)n2)c(C)c1	128256042	YYBOLQIGUBMSKB-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CCC2CCC2)cc1C	78395681	ORVWGGDEOOMMCA-UHFFFAOYSA-N	317.389	1.970	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1	186140709	WLJKOKAVEXIARG-UHFFFAOYSA-N	316.361	1.592	50	20	DDGD	
Cc1ccccc1[C@@H]1C[C@H]1NC(=O)NNC(=O)Cc1cccnc1	77564046	LWUVQSKZLPTCCK-JKSUJKDBSA-N	324.384	1.819	50	20	DDGD	
O=C(CNCC(F)(F)F)NNc1ncc(Cl)cc1Cl	186950850	WOYVJCLPMMQHDB-UHFFFAOYSA-N	317.098	1.983	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)[nH]n1	122428046	OJDORBOOKTWXFR-UHFFFAOYSA-N	316.361	1.429	50	20	DDGD	
CCOc1ccccc1NC(=O)NNC(=O)c1cc(C)n[nH]1	182828228	GNQXUKMDJQTEQG-UHFFFAOYSA-N	303.322	1.583	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)C1CCCCC1	32064099	OFVUDQINKPWBBR-UHFFFAOYSA-N	300.362	1.605	50	20	DDGD	
CC(C)[C@@]1(C)C[C@H]1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	185203459	LLPLEIBIVOWCND-PZSREKOKSA-N	318.373	1.656	50	20	DDGD	
Cc1ccnc(NNC(=O)C2CN(C(=O)OC(C)(C)C)C2)c1	182731775	OEENWMVGCAZEHN-UHFFFAOYSA-N	306.366	1.700	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1	187456639	JWLGCMUGPZDUQR-GJZGRUSLSA-N	319.405	1.765	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CN2CCC(C)CC2)cc1	136072241	JINQEWUIBSLSQD-UHFFFAOYSA-N	303.406	1.742	50	20	DDGD	
Cc1noc([C@@H]2CCCN(S(=O)(=O)CCCCCl)C2)n1	184397799	XBHMHHVKXFMDOU-LLVKDONJSA-N	321.830	1.906	50	20	DDGD	
COCCC(C)(C)CNC(=O)NNC(=O)Cc1cccnc1	185619733	MCKJLETTXKAGRR-UHFFFAOYSA-N	308.382	1.017	50	20	DDGD	
CCO[C@@H]1CCCN(CC(=O)NNC(=O)c2ccc(C)cc2)C1	76407521	OHWWRWQWFWRWHI-OAHLLOKOSA-N	319.405	1.257	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)NCC(F)(F)F)c1	183088384	IXYJWHHMJVVZAU-UHFFFAOYSA-N	311.285	1.279	50	20	DDGD	
CC(C)CN1N=C(C(=O)NNc2nccnc2Cl)CCC1=O	139347769	ACTHTQFEHFNHBI-UHFFFAOYSA-N	324.772	1.208	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ncn(-c2ccccc2)n1	191900465	LUSXTXSVUWHATR-UHFFFAOYSA-N	320.316	1.067	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCCCCCCO	192717445	SKCDJRTYCUCPLU-UHFFFAOYSA-N	311.357	1.251	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@H](C)Oc2ccccc2)o1	84158935	FRAIIARWIRHUCR-LBPRGKRZSA-N	317.345	2.000	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cnn(C)c1)c1c(F)cccc1F	134708466	DAGWIRNGNJAXLQ-MRVPVSSYSA-N	308.288	1.263	50	20	DDGD	
Cc1c(CCC(=O)NNc2ncccc2[N+](=O)[O-])cnn1C	89506253	TXDARIIAASOLLB-UHFFFAOYSA-N	304.310	1.108	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@H]1CCO[C@H](C2CC2)C1	131042001	HWSYVOIRHWAFHZ-UWVGGRQHSA-N	311.773	1.714	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cc(C2CC2)n(C(C)(C)C)n1	190075046	BSOPTXBYWWKTEW-UHFFFAOYSA-N	308.382	1.047	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCCC(C)(C)C1	137384828	SIJBMGCKGKHGPR-UHFFFAOYSA-N	317.433	1.807	50	20	DDGD	
C[C@@H]1CSCCN(C(=O)NNC(=O)Cc2cccnc2)C1	192325166	ULQDSHXMLYWYGR-NSHDSACASA-N	308.407	1.050	50	20	DDGD	
Cn1c(NNC(=O)C(=O)c2ccccc2)nc2ccccc2c1=O	194308738	OGYOFOJOEJCMBY-UHFFFAOYSA-N	322.324	1.260	50	20	DDGD	
C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)C(C)(C)O	190068830	BLBVCBWNRJESAI-LLVKDONJSA-N	322.405	1.670	50	20	DDGD	
COc1ccc(F)cc1C(=O)NNc1nc2ccccn2n1	191902523	NWCZQYWOWOGLJO-UHFFFAOYSA-N	301.281	1.634	50	20	DDGD	
O=C(NNC(=O)c1ccc2ccccc2n1)C(=O)c1ccccc1	194001845	WZKDNGRPLYTDPI-UHFFFAOYSA-N	319.320	1.879	50	20	DDGD	
Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)c1ccn[nH]1	254740149	LVEYJQXCIMEEAB-UHFFFAOYSA-N	308.345	1.976	50	20	DDGD	
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)CC(C)(C)C	264011925	GHAIJZBDIURTAM-CYBMUJFWSA-N	323.393	1.618	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNc2nc(-c3cccnc3)no2)O1	268137852	NEIKMPXUWNAVHY-MNOVXSKESA-N	303.322	1.532	50	20	DDGD	
CC1CC(NC(=O)NNC(=O)[C@H](C)Oc2ccccc2F)C1	268039169	NSFUTYGLLTTWQZ-YVNMAJEFSA-N	309.341	1.722	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNC(=O)COc1ccccc1O	264585320	VDHCQYBHBUZWJL-LLVKDONJSA-N	310.350	1.124	50	20	DDGD	
CCNC(=O)c1ccc(CNC(=O)NNC(=O)C2CCC2)cc1	264690911	DKGJOHUZWGAGIV-UHFFFAOYSA-N	318.377	1.067	50	20	DDGD	
CC[C@H](Sc1ccccc1)C(=O)NNC(=O)N1CCOCC1	264730116	ZIOFYFDWUCMNLG-ZDUSSCGKSA-N	323.418	1.630	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@H](C)CSC	264503331	NONKBKBTSLWGJP-JTQLQIEISA-N	312.391	1.221	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)[C@H]1CCCCS1	272913569	DVSKQAJQBVFJJX-CYBMUJFWSA-N	318.402	1.469	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2C)[C@@H]1OC	274884459	DOLHJIKSZUUMQJ-MJBXVCDLSA-N	321.377	1.131	50	20	DDGD	
COc1ccc(NNC(=O)NCC[C@@H]2CCO[C@H](C)C2)nc1	276004649	SGPCZPHTTOVKHA-VXGBXAGGSA-N	308.382	1.922	50	20	DDGD	
CC1(C)CCC[C@H]1C(=O)NNC(=O)[C@H]1COc2ccccc2O1	274593535	IRFZGTVCMNMLCA-SMDDNHRTSA-N	318.373	1.800	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)Nc1cccc2cnccc12	274080449	QNTUSEPLDADKJK-UHFFFAOYSA-N	312.329	1.121	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccc(N2CCOCC2)c(F)c1	273182931	HKFKVAJODBBHCH-UHFFFAOYSA-N	322.340	1.225	50	20	DDGD	
O=C(CN1CCSC1=O)NNc1ccc(C(F)(F)F)nn1	270038285	JSNLLQUYOZDUKK-UHFFFAOYSA-N	321.284	1.107	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1c(F)cccc1Cl	277542865	WZXZNVKYNJWBRS-JTQLQIEISA-N	300.717	1.809	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccccc1O[C@@H]1CCOC1	273230116	RGTZMWZONCEQRN-LLVKDONJSA-N	305.334	1.417	50	20	DDGD	
CCN1CCOC[C@H]1C(=O)NNc1ncc(Cl)cc1Cl	376938748	DKCLFJHBYDVCQD-JTQLQIEISA-N	319.192	1.552	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC[C@@](COC)(C(=O)OCC)C1	281223175	FEFFSBBYKRFHJL-QSOAKEGCSA-N	324.377	1.249	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)COc2ccc(C)cc2)C1	286742362	QNBBTKUOCVEHNK-UHFFFAOYSA-N	306.362	1.336	50	20	DDGD	
O=C(NNc1ncccc1F)[C@H]1CCCN(C(=O)C2CC2)C1	286018278	PODOOTQYMILVHT-NSHDSACASA-N	306.341	1.312	50	20	DDGD	
C[C@@H](CN(C)C)NC(=O)NNc1ccc(OC(F)F)cc1	287789708	BDUFSJTWSBVOLU-VIFPVBQESA-N	302.325	1.864	50	20	DDGD	
CSSCCNC(=O)c1cnc(C2OCCO2)s1	285786195	SYERICGHYALJCN-UHFFFAOYSA-N	306.434	1.930	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NNC(=O)c1ccc(C)s1	281932195	WTCQDDNVKFNRKR-YPMHNXCESA-N	323.418	1.982	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)cc1	289315938	FNUDHINZSYRLKO-QLFBSQMISA-N	318.373	1.062	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1nc2cccnc2s1	801150636	DMCUUAHVWBSRNG-UHFFFAOYSA-N	313.342	1.090	50	20	DDGD	
C[C@@H](OCCc1ccccc1)C(=O)NNC(=O)[C@@H]1CCCCO1	295254140	ALMPATPBQXHQAZ-HIFRSBDPSA-N	320.389	1.351	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H]2CCCSC2)c1	809933744	SGNNIXNRVZAFRM-GFCCVEGCSA-N	308.403	1.664	50	20	DDGD	
CCC[C@H](C)C(=O)NCCNC(=O)NNc1ncccc1C	292656074	CMFUUKWCOYRDAY-LBPRGKRZSA-N	307.398	1.569	50	20	DDGD	
CC[C@@H]1CC[C@H](C)N1CC(=O)NNC(=O)Cc1ccccc1C	299541552	FMSOVFRMDHADTQ-GOEBONIOSA-N	317.433	1.948	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H](C(=O)NNC(=O)N=c2cc[nH]cc2)C1(C)C	802027526	KOPSKGLMYZQOFP-JQWIXIFHSA-N	318.377	1.298	50	20	DDGD	
Cc1c(C(=O)NNc2ncccc2F)nnn1-c1ccccc1	804215537	UQRSJDGBLXJJTH-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
CC[C@H](Oc1ccccc1C)C(=O)NNC(=O)[C@@H]1CCCO1	293998693	MAMPSDDGQJWEQR-JSGCOSHPSA-N	306.362	1.479	50	20	DDGD	
O=C(NCCc1ccc2[nH]ccc2c1)NNC(=O)[C@@H]1CCCO1	292622715	MCTVDDUWCLCYIF-AWEZNQCLSA-N	316.361	1.220	50	20	DDGD	
CN(C)Cc1cccc(CNC(=O)NNc2ccncn2)c1	296607085	PBCKAFBBRJOCJT-UHFFFAOYSA-N	300.366	1.365	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@H]21	809147186	LGYULJGVKZVLPB-NGXPVIQVSA-N	305.378	1.194	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)Cn2nc(C)cc2C)c1	294064246	ZGXAJQYIHVJYAT-UHFFFAOYSA-N	301.350	1.602	50	20	DDGD	
COC(=O)NNC(=O)C1(Cc2ccc(F)cc2)CCOCC1	295149711	JKNMPXJUBYBIMG-UHFFFAOYSA-N	310.325	1.552	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)N1CCC[C@@H]1CF	296509862	ZFEJMGSCAQVJMM-GFCCVEGCSA-N	309.341	1.630	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cccc2c1COC2=O	808909405	BNGUIUWRBHELGC-UHFFFAOYSA-N	315.289	1.304	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@H]1CCCc2ccccc21	802030088	WTRZIUKOZLYELK-HNNXBMFYSA-N	310.357	1.776	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cccc(F)c1Br	292744827	NJCUGVPDLOVWTJ-UHFFFAOYSA-N	318.146	1.941	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=O)[C@@H]1CCCCO1	296837738	KUAOHEVERRDEIV-LBPRGKRZSA-N	322.321	1.625	50	20	DDGD	
O=C(CNC(=O)c1cc(F)cc(F)c1)NNc1ncccc1F	804219946	UYCFWKDEGOWLPU-UHFFFAOYSA-N	324.262	1.372	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)c(F)c1	802032895	KIHOTXXLWAFGBV-UHFFFAOYSA-N	316.292	1.312	50	20	DDGD	
CN(NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)C1CC1	819642861	SORTYHBCLYWRDD-UHFFFAOYSA-N	301.346	1.075	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1ccc(N2CCCCC2)o1	814955952	FCZVCQADHMZFKU-UHFFFAOYSA-N	301.350	1.686	50	20	DDGD	
COCc1c(C(=O)NNc2cnnn2C)oc2ccccc12	816771899	FQCIRMRGXPVZOE-UHFFFAOYSA-N	301.306	1.465	50	20	DDGD	
CN(NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)C1CC1	819642271	GLORUWSHHMTCEG-UHFFFAOYSA-N	316.188	1.849	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCCCC1(O)CCC1	817175578	SPVHIFDQPNRPRN-UHFFFAOYSA-N	323.368	1.394	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2cncn2C1)c1c[nH]c2ccccc12	816830110	RJIFPWBSTACWHG-LLVKDONJSA-N	323.356	1.388	50	20	DDGD	
CCn1ccnc1C(=O)NNC(=O)CSc1ccc(C)cc1	813367607	GADLCCLVGVLLFM-UHFFFAOYSA-N	318.402	1.765	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CCc3cccnc32)nc1	819915411	DXOYHCDOOFREST-LBPRGKRZSA-N	312.329	1.436	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)[C@H]1CCc2nncn2C1	815969037	CXMYAELBEGVSMG-LBPRGKRZSA-N	308.345	1.532	50	20	DDGD	
CC[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2)C[C@@H](CC)O1	817280506	IEROMKUNWMNPMU-HUUCEWRRSA-N	319.405	1.337	50	20	DDGD	
C[C@@H]1OC(=O)N[C@@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	819747182	MHOVGWMOPKLOOZ-NVNXEXLPSA-N	305.121	1.328	50	20	DDGD	
Cc1nsc(NC2CC2)c1C(=O)NNc1ncc(F)cn1	815881163	FQVMPSXCKCJOPZ-UHFFFAOYSA-N	308.342	1.712	50	20	DDGD	
CCC(=NNC(=O)N(C)C)c1ccccc1OCC(=O)N(C)C	814821368	SAXFXRAAWBHWGG-UHFFFAOYSA-N	320.393	1.539	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCc2cccnc2CC1	817322551	BVFDJEKOAGMMPT-UHFFFAOYSA-N	300.362	1.055	50	20	DDGD	
O=C(NNc1ncncc1F)Nc1cccc(-n2ccnn2)c1	814671639	BVVNKNXBBNWMRE-UHFFFAOYSA-N	314.284	1.345	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)[C@@H](C)CN1CCCCCC1	811635049	KFLQUIGHRWQSTG-ZFWWWQNUSA-N	322.453	1.659	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1	816629080	XAAJESBUTAGLLY-SSDOTTSWSA-N	305.165	1.025	50	20	DDGD	
CCCCNC(=O)NNC(=O)C[C@H](C)NC(=O)C1CCCC1	727102680	HVEJIIRYXPNDBG-NSHDSACASA-N	312.414	1.202	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cccc(CO)c1	813446956	LXWRNSQHHKUMOG-UHFFFAOYSA-N	300.314	1.262	50	20	DDGD	
Cn1ccc(CCC(=O)NN=c2sc3ccccc3n2C)n1	814268455	AXQFBHSCHISFIX-UHFFFAOYSA-N	315.402	1.538	50	20	DDGD	
CN(NC(=O)CNC(=O)c1cc(F)cc(F)c1)c1ccccc1	726981034	KBIWVJCWIXAQPJ-UHFFFAOYSA-N	319.311	1.862	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cc([N+](=O)[O-])ccc1F	728851512	HITIFIHQIQQSQF-UHFFFAOYSA-N	318.264	1.133	50	20	DDGD	
COCCOc1ncccc1C(=O)NNc1ccc(OC)cc1	729274406	YVFVGAPGBZTWEH-UHFFFAOYSA-N	317.345	1.872	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCc1cccc(C(F)(F)F)c1	823935562	SXPBOGOBKAHSFP-SNVBAGLBSA-N	304.312	1.982	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H]2CCC[C@@H]2c2ccccc2)nc1O	824050252	BQCJELDTXNTKTD-OLZOCXBDSA-N	313.361	1.913	50	20	DDGD	
O=C(NN=C1CCCc2cc(-c3nn[nH]n3)ccc21)C(F)F	826444664	POOGLILAICPZOG-UHFFFAOYSA-N	306.276	1.288	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(C#N)c2)nn1C(C)C	823099528	BVFQKOARXUOZQH-UHFFFAOYSA-N	311.345	1.719	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@H]3CCC(=O)NC3)nc12	828362050	AYCUTCRPSHLZBF-VIFPVBQESA-N	304.375	1.574	50	20	DDGD	
O=C(NNC(=O)[C@H](O)C1CC1)c1c(Cl)cccc1Cl	825768138	BQKQXHAGKFTERQ-SNVBAGLBSA-N	303.145	1.525	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](C)n1ccc2ccccc2c1=O	495763990	UPLRVBGEPUDMPH-JTQLQIEISA-N	303.318	1.292	50	20	DDGD	
O=C(NNC(=O)C1CC2(CC2)C1)c1ccc2c(c1)OCCO2	820122431	VEIXMRMKSUOJJP-UHFFFAOYSA-N	302.330	1.409	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1[C@@H](C)Cc2cc(F)ccc2[C@H]1C	828603637	GUHAUOLDRNGJPK-NWDGAFQWSA-N	321.396	1.937	50	20	DDGD	
C[C@H]1CCCCN1S(=O)(=O)NN(C)C(=O)OC(C)(C)C	496832288	YLIYBUOGYWVUMQ-JTQLQIEISA-N	307.416	1.477	50	20	DDGD	
CC(=O)N[C@H](C(=O)NN=c1cc[nH]c2ccccc12)C(C)(C)C	825759895	CNCPBADQMKPQNA-OAHLLOKOSA-N	314.389	1.651	50	20	DDGD	
C#C[C@@H](CC)NC(=O)NNC(=O)c1ccc(Cl)cc1OC	491818158	KJTBKVQGPDIRCD-JTQLQIEISA-N	309.753	1.704	50	20	DDGD	
COC(=O)NN=C(C)c1ccc(S(=O)(=O)C(F)F)cc1	491509713	RNNXYSIFNOWLFK-UHFFFAOYSA-N	306.290	1.763	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CCCN2C2CCCC2)nc(N)n1	828371630	MDNHSSSGUBKMCM-GFCCVEGCSA-N	304.398	1.217	50	20	DDGD	
CC(C)CN(CCN(C)C)C(=O)/C(C#N)=C/c1cnn(C)c1	491013145	TUOSFEXHJYZRJU-OVCLIPMQSA-N	303.410	1.373	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C	497226291	IFIAAAOYRYPJFJ-VHSXEESVSA-N	301.387	1.339	50	20	DDGD	
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CC[C@@H](B(O)O)C1	585076815	ZPMMQODUZNFIAC-WDEREUQCSA-N	311.574	1.491	50	20	DDGD	
O=C(NCC1CC1)NNS(=O)(=O)c1cc(F)ccc1Cl	728506973	HIUSRLRFWCLHTJ-UHFFFAOYSA-N	321.761	1.382	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@]1(C(=O)OC(C)(C)C)CC1(C)C	823913433	ULEKFYJDUXYNSD-BONVTDFDSA-N	300.399	1.088	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCC[C@@H](N3CCCC3)C2)cn1	823179950	BKGOIBTUYYFSFX-QOBZYLRHSA-N	313.405	1.414	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)n1cc(-c2ccccc2OC)nn1	900543954	YCCOSJCYBHMNSJ-SNVBAGLBSA-N	317.349	1.072	50	20	DDGD	
CCN(CCO)NC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1	823860488	UTQXAOHNWVDRHO-KRWDZBQOSA-N	319.405	1.027	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)NCCNC(=O)OC(C)(C)C)[C@@H](C)O1	496200055	LVARWXIZBMMEIK-NXEZZACHSA-N	314.386	1.364	50	20	DDGD	
C=C(CBr)COC(=O)CCCN(C)C(=O)OC	495879307	UVHYJYRARZZVRJ-UHFFFAOYSA-N	308.172	1.959	50	20	DDGD	
CC(C)(CC(=O)NNC(=O)C(C)(C)C)NC(=O)OC(C)(C)C	739696493	IDDCMZZRDBWNPR-UHFFFAOYSA-N	315.414	1.873	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCCCN1C1CCCC1	825765470	YBQOHUSRFVEOLV-CQSZACIVSA-N	319.409	1.276	50	20	DDGD	
CCCCC[C@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)OC	491163356	WHRHGOHWCGBINN-MQJVFOOVSA-N	318.377	1.565	50	20	DDGD	
O=C(CCCN1C(=O)CCC1=O)NNc1ncccc1Cl	734245994	INSKONZKFANJGA-UHFFFAOYSA-N	310.741	1.107	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1	732757126	SWHWQTMTGQGPSR-OLZOCXBDSA-N	324.425	1.156	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2cc(Cl)c[nH]2)cc1	732307123	DASISJKILVNACZ-UHFFFAOYSA-N	320.736	1.376	50	20	DDGD	
C[C@@]1(C(=O)NNc2nc(O)c3ccccc3n2)CCCCO1	839702790	VRNGMJWTCZJBFW-HNNXBMFYSA-N	302.334	1.738	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2C[C@@H](OC)C23CCC3)n1	838767417	NVIIVRVPUJLTAV-GHMZBOCLSA-N	321.381	1.377	50	20	DDGD	
CCCCOc1ccc(C(=O)N2CC[C@H](B(O)O)C2)cc1OC	585074347	LFYNNPRFDAMBAI-ZDUSSCGKSA-N	321.182	1.563	50	20	DDGD	
Cc1nc2ccccn2c1C=NNC(=O)c1ccnc(N(C)C)c1	731561638	PZYIZMJGRVWXOT-UHFFFAOYSA-N	322.372	1.868	50	20	DDGD	
O=CN1CCC[C@@H]1C(=O)NNc1ccc(C(F)(F)F)cc1	830797418	NYKVYVUDIGFUBN-LLVKDONJSA-N	301.268	1.769	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1ccccc1C(=O)O	736250554	JJKJUYIJCQRRTH-UHFFFAOYSA-N	314.363	1.131	50	20	DDGD	
Cc1[nH]c(C(=O)O)c(C)c1C(=O)NNC(=S)NC(C)(C)C	738167307	YPAFSFOMNBDCHO-UHFFFAOYSA-N	312.395	1.237	50	20	DDGD	
CN(Cc1nnc2ccccn12)C(=O)[C@@]1(C)C[C@@H]1Br	906480447	ZMSMOZWMZVQQOQ-ZANVPECISA-N	323.194	1.861	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@H](C)c1ccn(C)n1	838774836	YFOVSYMLWACYAE-LLVKDONJSA-N	316.365	1.825	50	20	DDGD	
Cc1nc(C(C)C)ncc1C(=O)NNC(=O)NC1CCCC1	900412448	GMUIFBPSMZHIAI-UHFFFAOYSA-N	305.382	1.795	50	20	DDGD	
CC(C)CN1CCO[C@@H](CNC(=O)NNc2ccccc2)C1	734264503	WZUHXLNVPGPUOC-HNNXBMFYSA-N	306.410	1.670	50	20	DDGD	
Cn1cc([N+](=O)[O-])cc1C(=O)NNc1ccccc1[N+](=O)[O-]	835165354	SWWLPOAJDVSGEY-UHFFFAOYSA-N	305.250	1.598	50	20	DDGD	
CCCCN(C)CCNC(=O)NNc1ncc(F)cc1F	838466767	QSMIOWAWNYDUHZ-UHFFFAOYSA-N	301.341	1.718	50	20	DDGD	
OB(O)c1cccc(CNCC2(Sc3ccccc3)CC2)c1	585020523	ZYQVTHNHDZIMFS-UHFFFAOYSA-N	313.231	1.781	50	20	DDGD	
CCc1ncncc1C(=O)NNC(=O)[C@H](CC)c1ccccc1	731997952	ZTTZYTMVUNSOBA-CYBMUJFWSA-N	312.373	1.994	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCCCO[C@H]2CCCCO2)cn1	834833167	WVGUQHAGJKOBGL-MZLJFPOFSA-N	318.377	1.377	50	20	DDGD	
Cn1c(=NNC(=O)C2CCC(O)CC2)sc2ccccc21	588612687	CVGJSCALSFVTOJ-UHFFFAOYSA-N	305.403	1.723	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CCCCO2)cnc1Cl	836449808	FDCUKYATKZJYHK-JTQLQIEISA-N	312.757	1.765	50	20	DDGD	
COc1ccc(Cl)cc1NCC(=O)NN(C)C[C@@H](C)O	910168224	MLNRITRUCQUWKW-SECBINFHSA-N	301.774	1.104	50	20	DDGD	
COc1cccc(SCC(=O)NNC(=O)c2c[nH]nc2C)c1	733151828	FCUNJSKJZVMHFN-UHFFFAOYSA-N	320.374	1.280	50	20	DDGD	
NC(=O)N[C@@H](CC(=O)NCC(Cl)Cl)c1ccccc1	837650426	CYWHANXMHYOTEI-VIFPVBQESA-N	304.177	1.706	50	20	DDGD	
CC[S@](=O)c1ccccc1C(=O)NNC(=O)C1CCCC1	914848797	APYRSMPATWSIIM-NRFANRHFSA-N	308.403	1.765	50	20	DDGD	
CC(F)(F)CCC(=O)NNC(=O)Cn1cnc2ccccc21	917912317	WRJHFIGIRQLCRW-UHFFFAOYSA-N	310.304	1.619	50	20	DDGD	
CC(C)S(=O)(=O)c1ccccc1C(=O)NNc1ncccn1	915192148	IRDUGCMORCYLRR-UHFFFAOYSA-N	320.374	1.416	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cn2cc(C3CC3)cn2)nc1	831287421	YGIDCOKMASTWIX-UHFFFAOYSA-N	315.333	1.085	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccnc(F)c1	745485939	WIGJKDRWHHIJJB-SECBINFHSA-N	321.283	1.588	50	20	DDGD	
C[C@@H]1CCC[C@H](C(=O)OCC(=O)NNC(=O)c2cccs2)C1	745153338	KNFAOGJJKRJCDG-MNOVXSKESA-N	324.402	1.879	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@@H]2CCCS2)c1	743295419	LDNDONFYJYJTPX-LBPRGKRZSA-N	309.391	1.150	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H](C)CS(C)(=O)=O	746845521	ZXQRTVIYLHQUNT-MRVPVSSYSA-N	317.319	1.190	50	20	DDGD	
COCC1(CC(=O)NNc2ccc3c(=O)[nH]ccc3c2)CC1	843880298	LSFGNESGMKICCF-UHFFFAOYSA-N	301.346	1.788	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@H]1CC12CCCC2	747345949	SBXQWGGKCWOIIH-LBPRGKRZSA-N	318.373	1.802	50	20	DDGD	
CC(=NNC(=O)C(N)=O)c1ccc(SCC(F)(F)F)cc1	741758025	XRTXNQBSMOAZQK-UHFFFAOYSA-N	319.308	1.667	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCOc2ccc(C)c(C)c21	748258678	BUZAKQYDHPOMDH-CYBMUJFWSA-N	320.389	1.958	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1ncccc1C(F)(F)F)C(C)C	740098434	XADOHLWKHLWIME-SNVBAGLBSA-N	318.299	1.704	50	20	DDGD	
CC(C)Oc1ccccc1CC(=O)NNC(=O)c1ncccn1	841354077	KFDZULVHWJXLRL-UHFFFAOYSA-N	314.345	1.268	50	20	DDGD	
CN(C)C(=O)c1ccc(NC(=O)NNC(=O)C(C)(C)C)c(F)c1	841768860	RJEIPGYIOOXOJW-UHFFFAOYSA-N	324.356	1.726	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cnn(C)c2C(F)F)n1	748339639	YSNPAQQUVVNSCB-UHFFFAOYSA-N	316.699	1.866	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)[C@@H](C)OCCOC	748613079	CYVMYRGQXNUQAU-UPJWGTAASA-N	315.414	1.337	50	20	DDGD	
O=C(CC(F)(F)F)NN=Cc1ccc(N2CCOCC2)cc1	917551992	WHGCPDMLOYGDNT-UHFFFAOYSA-N	315.295	1.926	50	20	DDGD	
Cc1ncc2n1CC[C@H](C(=O)NNc1nc3ccccc3n1C)C2	848380749	QNXLVUYVDKZAQT-LBPRGKRZSA-N	324.388	1.784	50	20	DDGD	
CCc1ncncc1C(=O)NNC(=O)c1cccc(N(C)C)c1	916034127	QQSKVKSTZVFFKT-UHFFFAOYSA-N	313.361	1.180	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H](C)c1ccc(Br)s1	910164356	VHUYJRYAFZLPBG-JGVFFNPUSA-N	321.240	1.958	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1coc2cc(F)ccc12	843654790	SHKUWTQQLCXMMC-CABZTGNLSA-N	320.320	1.687	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cnn(-c2ccc(C)cc2)c1C	844840037	BIKIEILNJXYKCB-UHFFFAOYSA-N	317.349	1.288	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H](C)[C@@H]2CCCNC2)c1	841928469	VFDHQAQRJWWCQW-WCQYABFASA-N	320.393	1.487	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@H](C)c2cnn(C)c2)c1	749864669	QHATYXNMRRDJLJ-GFCCVEGCSA-N	316.361	1.058	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccnc(OCC(F)(F)F)c1	741663051	WQHQTJCTNVQFHR-UHFFFAOYSA-N	305.256	1.440	50	20	DDGD	
CO[C@]1(C=NNC(=O)CSc2nc(C)cc(C)n2)CCOC1	841602379	FGPWJAOADSESGI-AWEZNQCLSA-N	324.406	1.093	50	20	DDGD	
COC(=O)COCCNC(=O)NNc1ccc(Cl)c(C)c1	923431374	RWNQDVOEADLVPP-UHFFFAOYSA-N	315.757	1.464	50	20	DDGD	
CNC(=O)c1ccc(C(=O)NNc2cccc([N+](=O)[O-])c2)cn1	748004659	ONPNEWNQAAZOAH-UHFFFAOYSA-N	315.289	1.106	50	20	DDGD	
C[C@H]1C[C@@H](C)CN1CC(=O)NNC(=O)c1ccccc1Cl	744404264	LYHWAZQYCGMCCJ-MNOVXSKESA-N	309.797	1.831	50	20	DDGD	
CCCC[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1ncccn1	841577499	DKYQNRIVKDBYPP-VXGBXAGGSA-N	305.382	1.780	50	20	DDGD	
CCOC(=O)c1ccc(NC(=S)NNC(=O)CC2CC2)cc1	840764089	PCGHKDDFZDTVMC-UHFFFAOYSA-N	321.402	1.981	50	20	DDGD	
CCN1CCO[C@H](C(=O)NNc2cccc([N+](=O)[O-])c2C)C1	748685493	LWENGRDVATUUBK-ZDUSSCGKSA-N	308.338	1.067	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2cc3c(cc2O)OCO3)c(O)c1	920374581	HFQFIILTZRGGQC-UHFFFAOYSA-N	314.297	1.899	50	20	DDGD	
O=C(COc1ccc(F)cc1)NN=Cc1cnc2ncccn12	755554631	WWGNKLPDZXXJSQ-UHFFFAOYSA-N	313.292	1.398	50	20	DDGD	
Cc1ccnc(NNC(=O)CCNC(=O)c2ccc(F)cc2)c1	755846303	WICPSUSXIGGWSS-UHFFFAOYSA-N	316.336	1.792	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Nc2ccnn2CC)cc1	757903273	RRPGGRUNJHWNAX-UHFFFAOYSA-N	301.350	1.932	50	20	DDGD	
CCc1nocc1C(=O)NNC(=O)c1ccc(OC)c(OC)c1	854180993	SOOBOUMADYTNSX-UHFFFAOYSA-N	319.317	1.329	50	20	DDGD	
Cn1cnc2cc(C(=O)NNc3cc(Cl)nc(N)n3)ccc21	753455075	NOFSFOCFXYFUKW-UHFFFAOYSA-N	317.740	1.356	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1cc(O)n(C)n1	854944351	LDFAAMWWIZXOOL-UHFFFAOYSA-N	310.745	1.449	50	20	DDGD	
Cc1ccccc1NC(=O)NN=Cc1nnn(C(C)(C)C)n1	853291736	NUQHEXBSYSSPOE-UHFFFAOYSA-N	301.354	1.892	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H](NC=O)C(C)C)c1ccccc1	859328788	AGXQCXCARNKDFH-KGLIPLIRSA-N	305.378	1.098	50	20	DDGD	
CCS(=O)(=O)N[C@@H](C)C(=O)NNc1ccc(Cl)c(C)c1	928340178	SSYQPDLSIQUJMR-VIFPVBQESA-N	319.814	1.419	50	20	DDGD	
C[C@@H](C(=O)NNc1cnnn1C)c1ccc(Br)cc1	857273703	UVJCNAFGBBKWNP-MRVPVSSYSA-N	324.182	1.824	50	20	DDGD	
CCCNC(=O)NN=Cc1ccccc1N1CCO[C@H](C)C1	920988895	VUHOEZZTVWVHNA-CYBMUJFWSA-N	304.394	1.955	50	20	DDGD	
CCCN(NC(=O)[C@H]1CCCc2nn[nH]c21)C(=O)OC(C)(C)C	854432069	IPXZZVHONJTMPA-JTQLQIEISA-N	323.397	1.903	50	20	DDGD	
CC1=C(C(=O)NNC(=O)Cc2ccc(F)cc2)CCN1C(C)C	929330080	BARYFMSRWWUSIG-UHFFFAOYSA-N	319.380	1.904	50	20	DDGD	
CC[C@@H]1CN(C(=O)NC[C@@]2(C)C[C@H]2Br)CCO1	856900392	VSLCRJGGFLKRSX-CKYFFXLPSA-N	305.216	1.980	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)C(=O)c1c(C)nn(C)c1C	855365133	CZXOHMUNKZDBNB-UHFFFAOYSA-N	304.325	1.810	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(C(C)=O)s2)nc1	759734479	ICFIOKHIHNNDJE-UHFFFAOYSA-N	319.342	1.889	50	20	DDGD	
COc1cccc([C@@H](OC)C(=O)NNC(=O)[C@@H]2CCCCO2)c1	854682829	HASQOCFHMJVDJM-UONOGXRCSA-N	322.361	1.099	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccnn2CC2CC2)n1	853276848	KIDXIGFDHAZUKT-UHFFFAOYSA-N	300.366	1.257	50	20	DDGD	
C[C@H]1COC[C@H]1NC(=O)NNc1cccc(Br)n1	926020847	XFJGFQNGKUUWDN-JGVFFNPUSA-N	315.171	1.505	50	20	DDGD	
O=C(NN=CCCc1ccccc1)N[C@H]1CCS(=O)(=O)C1	755665182	TVXASEAJDJHGNM-ZDUSSCGKSA-N	309.391	1.091	50	20	DDGD	
C[C@@H]1CCN(C[C@H](CBr)C2CC2)CCS1(=O)=O	859277832	COWREMFTEBDJDG-PWSUYJOCSA-N	324.284	1.917	50	20	DDGD	
C[C@@]1(CN2C(=O)[C@@H]3CC(F)(F)CN3C2=O)C[C@@H]1Br	925005076	HKPHGSPSOIXSBV-BYULHYEWSA-N	323.137	1.832	50	20	DDGD	
O=C(NCCOC[C@@H]1CCCO1)NNc1ccc(Cl)cn1	852113532	BROZHVHHIAWJKU-NSHDSACASA-N	314.773	1.557	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NNc2ncc(Cl)cn2)C1	857871935	YSYWDRSCLCMOHP-GMSGAONNSA-N	306.757	1.662	50	20	DDGD	
CCOCCOCCNC(=O)NC[C@@]1(C)C[C@@H]1Br	923371605	CDDLGWHVBAUXKT-CMPLNLGQSA-N	323.231	1.512	50	20	DDGD	
C[C@H]1CC(=NNC(=O)[C@H]2COc3ccccc3O2)CN1C1CC1	753954727	GTPAWVOJWVUFDL-MEDUHNTESA-N	315.373	1.555	50	20	DDGD	
CC(C)[C@H](NC(=O)NNc1ccc(Cl)nn1)c1cnn(C)c1	927413059	LEQAXXHEJYFUID-LBPRGKRZSA-N	323.788	1.887	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H]1CCCCN1Cc1ccccc1	854924712	OTADKMKKMYKEEU-CQSZACIVSA-N	320.462	1.508	50	20	DDGD	
COC[C@H](C)S(=O)(=O)NC[C@]1(C)C[C@H]1Br	856756639	QYOSFCKTQXRUDI-YIZRAAEISA-N	300.218	1.114	50	20	DDGD	
O=C(CN1CCOCC2(CCC2)C1)NNC(=O)c1cccs1	759914050	CPXLJKGBSRYWQM-UHFFFAOYSA-N	323.418	1.012	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(NC(=O)C2CC2)cc1	854927863	JWLVVTVKAJLVNZ-UHFFFAOYSA-N	306.391	1.116	50	20	DDGD	
COc1ncncc1NC(=O)NC[C@@]1(C)C[C@@H]1Br	856846424	JMTIRAHAJZWMHM-GZMMTYOYSA-N	315.171	1.780	50	20	DDGD	
O=C(NN=Cc1coc(-c2ccccc2)n1)N1CCOCC1	755674155	VZJVQNRXFWXGLH-UHFFFAOYSA-N	300.318	1.717	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@@H]1CCN2CCC[C@H]2C1	856839960	MQNRHHOVISYGRE-MNOVXSKESA-N	310.789	1.383	50	20	DDGD	
O=C(NCCCCNc1ccccn1)NNC(=O)C1CCCC1	753334191	FJVXOYUBUQYJDK-UHFFFAOYSA-N	319.409	1.794	50	20	DDGD	
CN1CC[C@H](C(=O)NC[C@@]2(C)C[C@H]2Br)CC1=O	857400875	WXJBMGNGKQYKEM-YGOYTEALSA-N	303.200	1.145	50	20	DDGD	
CC1(C)CC[C@@H](NC(=O)NNC(=O)COc2ccccc2O)C1	768765924	WFCPESXQZITOQX-LLVKDONJSA-N	321.377	1.680	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1c(C(F)F)nc2n1CCCC2	864490192	AULWEEUXCDYPCQ-UHFFFAOYSA-N	300.309	1.574	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NNc1ccc(F)c(Cl)c1	863080845	PMJKDCFOIXCJOX-SNVBAGLBSA-N	302.737	1.759	50	20	DDGD	
COC(=O)C[C@H]1CCCN1S(=O)(=O)CC(C)(C)CCl	866992466	RJYMGWHUEZMRBG-SNVBAGLBSA-N	311.831	1.609	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CCSc2c(F)cccc21	767838199	RMDQCQACEVIDTO-UHFFFAOYSA-N	309.366	1.666	50	20	DDGD	
CC(C)[C@@H]1C(=O)NCCN1C(=O)[C@H](Br)C(C)(C)C	767943748	QGURWHBMXUMGSF-ZJUUUORDSA-N	319.243	1.779	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)[C@H]1CC1(Cl)Cl	766661450	CIPNLYJGCXWQDX-SSDOTTSWSA-N	323.201	1.727	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H](C)CNC(=O)OC(C)(C)C)cc[nH]1	862513096	ACNGFVVRCUEDQK-SNVBAGLBSA-N	308.382	1.416	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CS[C@H](C)CCO	768395758	LBCCFJKZDNWLIV-GFCCVEGCSA-N	310.419	1.189	50	20	DDGD	
CCC(=NNC(=O)CS(C)(=O)=O)c1ccc(Cl)s1	863189484	OBRAIRVTELJABI-UHFFFAOYSA-N	308.812	1.676	50	20	DDGD	
O=C(c1ccn(-c2ccccc2Cl)n1)N1CC[C@@H](B(O)O)C1	864232042	VQYKBRSFIHWNTO-SNVBAGLBSA-N	319.557	1.215	50	20	DDGD	
CC(C)C(=O)NNC(=O)Cn1cc(C=O)c(-c2ccccc2)n1	864490473	HMJMUCSOZMGQLH-UHFFFAOYSA-N	314.345	1.166	50	20	DDGD	
CC[C@@H](OC1CCCCC1)C(=O)NNc1nnc(C)c(O)n1	761019868	DRVCBWIDBAMJOF-LLVKDONJSA-N	309.370	1.457	50	20	DDGD	
Cc1cccc(C)c1NC(=O)C(=O)NNC(=O)c1ccccn1	764428344	AALZSUREQZGISK-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
CCN1CCOC[C@H]1C(=O)NNc1cc(Cl)ccc1F	871271661	UYMAGNRPXFWBEC-LBPRGKRZSA-N	301.749	1.643	50	20	DDGD	
C[C@H](C(=O)NNC(=S)Nc1ccccn1)N1CCCCCC1	874956830	PZXYQTRFPHNBRD-GFCCVEGCSA-N	321.450	1.664	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cccc(OCCC(C)C)c1	763441623	YOGPTWJJKGAUSH-UHFFFAOYSA-N	321.377	1.607	50	20	DDGD	
O=C(CC[C@@H]1CCOC1)NNC(=O)c1nc2ccccc2s1	874913170	GREXFQUFJAYGOH-SNVBAGLBSA-N	319.386	1.874	50	20	DDGD	
O=C(NNc1ccncn1)[C@H]1CCCCN1Cc1cccnc1	1117811732	NBSDZRAWCNSVMR-CQSZACIVSA-N	312.377	1.369	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CCCc2ncccc21	872354366	SHCFMKLDLMAYFH-UHFFFAOYSA-N	302.378	1.543	50	20	DDGD	
CC(C)n1cnnc1SCC(=O)NNc1ccc(F)cn1	874651548	PTZMTPKSDXWPMT-UHFFFAOYSA-N	310.358	1.629	50	20	DDGD	
Cc1cccnc1C(=O)NNc1cccc(S(C)(=O)=O)c1	776529696	NOSYFXUBNKIZMS-UHFFFAOYSA-N	305.359	1.550	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cc2c(c([N+](=O)[O-])c1)OCO2	778947759	ZUVZXJGYUJIMLL-UHFFFAOYSA-N	321.224	1.010	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1cccc(C(=O)OC)c1)[C@@H]1CCCO1	776234760	MRARTHPNZJBKGY-KGLIPLIRSA-N	317.345	1.280	50	20	DDGD	
COc1ccc(C)cc1[C@H](C)NCC(=O)NNC(=O)C1CC1	774823579	JGECSZWHBMUVGQ-NSHDSACASA-N	305.378	1.212	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@H]1C=NNC(=O)[C@H]1CCCOC1	872381855	BRFVBXDNMNZIMT-MELADBBJSA-N	320.393	1.509	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc(OC(F)(F)F)cc1	779826228	ILOYHPPFKYUFRS-UHFFFAOYSA-N	319.239	1.391	50	20	DDGD	
Cc1ccncc1[C@H](C)NC(=O)NNC(=O)c1ccccc1O	771438861	HNYIRNMZFINIQV-NSHDSACASA-N	314.345	1.801	50	20	DDGD	
CO[C@H](CNC(=O)NNc1cc(Cl)ccn1)C(F)(F)F	778664317	GKMOMPRJDQYCEC-SSDOTTSWSA-N	312.679	1.938	50	20	DDGD	
C[C@@](O)(CCNC(=O)NNC(=O)C1CCCC1)c1ccccc1	779699974	YMLRDKHERCWUFP-QGZVFWFLSA-N	319.405	1.805	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(C)c(N2CCNC2=O)c1	879400700	AQMWAIQWRGQXLS-UHFFFAOYSA-N	321.381	1.139	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccnn1[C@H](C)CC(C)C	775765254	IVJFKAQCMKWWKI-LLVKDONJSA-N	311.386	1.679	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2cc([N+](=O)[O-])ccc2O)n1	773863699	OUBIHSPOSIUZOA-UHFFFAOYSA-N	324.684	1.083	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)OCc1ccccc1	772003406	WRQYVZFAQHTCPH-NEPJUHHUSA-N	322.361	1.081	50	20	DDGD	
C[C@H](CBr)COC(=O)[C@]12CCC(=O)N1CCS2	770323698	OBDNRGXGMIRMHE-LDYMZIIASA-N	322.224	1.626	50	20	DDGD	
COCC1(C(=O)NNc2ccnc(Br)c2)CC1	771534657	IUNQSULQVSGLFP-UHFFFAOYSA-N	300.156	1.714	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CN(C)C)cc1N1CCCC1	881003652	YBBNCVVKWNLLEW-UHFFFAOYSA-N	319.409	1.310	50	20	DDGD	
Cc1cnccc1C(=O)NNC(=O)c1ccc(Cl)cc1O	771741328	MORADRPXKCKFEF-UHFFFAOYSA-N	305.721	1.824	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1F	880230443	JXUFQJPMEWXRNV-PKFCDNJMSA-N	322.336	1.871	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc2ccc(OCC)cc2[nH]1	770545665	XXKOTSRWCCLDMQ-UHFFFAOYSA-N	304.350	1.873	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cccc(-c2nccn2C)c1	770347135	AEUQUTIPDOZQQE-UHFFFAOYSA-N	301.350	1.896	50	20	DDGD	
CC(C)(C)[C@@H]1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1	784508764	DLTPKVBXJXRFBF-CYBMUJFWSA-N	321.396	1.955	50	20	DDGD	
COc1ccc(Cl)cc1NC(=O)C(=O)NNc1cccnn1	784858502	OIQHDXWIKHBVMD-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
CCc1cccc(NC(=O)CNS(=O)(=O)CCCCl)c1	881850510	WYRXJMGIWRBABE-UHFFFAOYSA-N	318.826	1.736	50	20	DDGD	
O=S(=O)(CCCCl)N[C@H]1CCN(c2ccccc2F)C1	882218736	SWXXPCFHJQCTIG-NSHDSACASA-N	320.817	1.953	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)cc1F)[C@H]1CCS(=O)(=O)C1	783515047	VSBSDMYQGNVDHL-VIFPVBQESA-N	318.757	1.364	50	20	DDGD	
COc1cc(Cl)ccc1NC(=O)C(=O)NNc1cccnn1	784862378	FPUCTFVUHBRBHU-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
COC1CCC(=NNC(=O)CNC(=O)c2cccs2)CC1	783841876	YHVHYZZDKBBHSK-UHFFFAOYSA-N	309.391	1.539	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Cc1ccc2c[nH]nc2c1	789943656	BZLNGKCEINLJDR-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1nnn(-c2ccc(C)cc2)c1C	780711545	KIFOEKMLDZVFDN-UHFFFAOYSA-N	316.365	1.190	50	20	DDGD	
C[C@@H]1CCCC[C@H]1C=NNC(=O)N[C@H]1CCS(=O)(=O)C1	783832537	RBEXFOMBTZRHQN-WOPDTQHZSA-N	301.412	1.285	50	20	DDGD	
CC(C)(C#N)CNC(=O)NNC(=O)Cc1ccc(Cl)cc1	781954387	SXCZTYYZWJJESR-UHFFFAOYSA-N	308.769	1.763	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)CCCc1nc(C)no1	788192750	JVHVXPXNPXKMLJ-UHFFFAOYSA-N	308.313	1.992	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCC(=O)NCCc1ccc(F)cc1	786666014	LFGOLJPFVBGYLD-ZROIWOOFSA-N	316.332	1.888	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC[C@H]1C[C@@H](N)C1)c1ccccc1	892561236	XPXSCKYTHMLROD-KWCYVHTRSA-N	304.394	1.248	50	20	DDGD	
C[C@@H](NCC(=O)NNC(=O)C(C)(C)C)c1c(F)cncc1F	796636936	DCECVOXGJNCYMO-MRVPVSSYSA-N	314.336	1.204	50	20	DDGD	
CSSCCNC(=O)N1CCC(O[C@@H]2CCOC2)CC1	790880367	YLAVMFVJMKDMQD-GFCCVEGCSA-N	320.480	1.977	50	20	DDGD	
CC(C)N(C)c1ccc(C=NNC(=O)c2cnn(C)c2)cn1	790164499	STGLHJVPNSHHPH-UHFFFAOYSA-N	300.366	1.424	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2ccnn2C(C)C)n1	794751034	GEEYSEGAYNKOSB-UHFFFAOYSA-N	302.338	1.634	50	20	DDGD	
COc1ccc(CC(=O)NNc2cccc(F)c2[N+](=O)[O-])nc1	791148121	PSSVUZACGTYAIT-UHFFFAOYSA-N	320.280	1.823	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	798126673	AETDBNYWRACXEI-RISCZKNCSA-N	322.409	1.966	50	20	DDGD	
O=C1Cc2cc(OS(=O)(=O)CCCCCl)ccc2N1	795428716	JQRGGKKYZAYNGQ-UHFFFAOYSA-N	303.767	1.909	50	20	DDGD	
C[C@H]1CC(NC(=O)NNc2nncc(N)c2Cl)C[C@H](C)O1	1319770228	XETFUHYVFPBBEF-BQBZGAKWSA-N	314.777	1.294	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NNc1cncc(Br)c1	1319762679	XKBWCTCQDDIGHO-BQYQJAHWSA-N	311.139	1.731	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NC[C@H]2CCOC2)cc1	1327240842	QLRYKROVSPOVLD-GFCCVEGCSA-N	307.350	1.065	50	20	DDGD	
COc1cc(F)cc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	1326347146	ZLVPXTBTWPPAMY-QPUJVOFHSA-N	311.313	1.412	50	20	DDGD	
C=C(C)COc1cc(C=NNC(=O)C(=O)OC)ccc1OC	1330772929	GOYQXLIQPBCCFP-UHFFFAOYSA-N	306.318	1.273	50	20	DDGD	
Cn1nc2c(c1C(=O)NNc1ccc(C(C)(C)C)nn1)CCC2	1333779483	INNUSYQNYSIJLQ-UHFFFAOYSA-N	314.393	1.753	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N[C@@H]2CC=CCC2)C[C@@H]1Br	1331076664	GIYWWVOIXVBHCM-GBIKHYSHSA-N	315.211	1.501	50	20	DDGD	
Cn1cnnc1N1CCN(C(=O)C2CCC(Cl)CC2)CC1	1348853828	RWOUMOVLJJFYPL-UHFFFAOYSA-N	311.817	1.261	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cccc(C)c2C#N)nn1	1343324004	ZGTQSNOJRRDVLV-UHFFFAOYSA-N	310.317	1.047	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)N1CCNC[C@@H]1CO	1263180149	FIPCBXSFSIXDLT-VXGBXAGGSA-N	304.481	1.493	50	20	DDGD	
C=CCN(C(=O)C1CCC(Cl)CC1)[C@H]1CCS(=O)(=O)C1	1345652409	MKENKPXAEVWLTH-BPCQOVAHSA-N	319.854	1.986	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)[C@@H]2C[C@H]2F)cc1OC	1520735730	QNDZVCMIYDQTOY-VXGBXAGGSA-N	324.352	1.993	50	20	DDGD	
Cn1cncc1C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1609481417	SFWSPLSYNKTYET-UHFFFAOYSA-N	318.728	1.011	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC[C@H](C(=O)O)CC1)c1ccc(Cl)cc1	1608479298	XUNQTBRHWGLBGM-HOMQSWHASA-N	324.764	1.992	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2cccc(F)c2C(=O)O)CC1	1601058569	PCAWFRCHGSILBS-UHFFFAOYSA-N	310.306	1.368	50	20	DDGD	
O=C(O)[C@]1(C(=O)NNc2ncccc2[N+](=O)[O-])C[C@H]2CC[C@H]1C2	1605935535	NCGMDWQEGMIXMW-UINNMSKDSA-N	320.305	1.324	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCO1)c1ccc(-c2nn[nH]n2)c(F)c1	1602906631	QSBYPIABWKKDDN-GFCCVEGCSA-N	318.312	1.025	50	20	DDGD	
Cc1coc(CC(=O)O)c1C(=O)NNc1nccnc1Cl	1600641828	ZZHQVUYHYXCHPE-UHFFFAOYSA-N	310.697	1.415	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccc([N+](=O)[O-])o2)c(F)c1	1608904916	PFSNEUAUTSHNOQ-UHFFFAOYSA-N	309.209	1.782	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccn(C3CCCC3)n2)nc1	1602382844	GBECRFVKXBDZGW-UHFFFAOYSA-N	315.333	1.848	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)c1cc(C(=O)O)co1	1608305978	XKZUZKVNQJABDW-UHFFFAOYSA-N	316.313	1.762	50	20	DDGD	
CC(=O)CSCC(=O)NNc1ccc(F)c(C(=O)O)c1	1603001929	ODJQYPZWDRCVIN-UHFFFAOYSA-N	300.311	1.289	50	20	DDGD	
O=C(NN=Cc1ccc(F)cc1F)[C@@H]1CN2CCC[C@H]2CO1	1549312693	CEVIORDVUAGWGE-JSGCOSHPSA-N	309.316	1.278	50	20	DDGD	
CO[C@H](C)C(C)=NNC(=O)[C@@H]1CCCO[C@@H]1c1nccn1C	1549309782	KBDKPKXXCNLNNF-UPJWGTAASA-N	308.382	1.415	50	20	DDGD	
COc1ccc(C(=O)NN=C2CC(CC(=O)O)C2)cc1OC	1610315816	XPPPVBHZHVXISH-UHFFFAOYSA-N	306.318	1.674	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C(=O)[C@H](N)CO)C1	1575262214	BYRZZDSBRAPPRF-NWDGAFQWSA-N	302.491	1.319	50	20	DDGD	
CC(C)C[C@H](C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1589544766	DCDKKZIWBPHRHF-JTQLQIEISA-N	316.365	1.310	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@]12CCCNC2)c1cccc(Cl)c1	1580732611	FUXUMWUDAONZBX-DOMZBBRYSA-N	307.781	1.491	50	20	DDGD	
CCCC(=O)N1CC2(CCCN2C(=O)[C@@H](F)Br)C1	1845216636	BGWTUTHDPTYPHT-SNVBAGLBSA-N	321.190	1.680	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2cc(C(=O)O)co2)cc1	1776016719	CIPAMMDHVCDJRO-UHFFFAOYSA-N	318.285	1.516	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C/c1cnc2ccc(C(=O)O)cn12	1776946215	WNHQGSLOXAAPLD-VZUCSPMQSA-N	305.315	1.332	50	20	DDGD	
N#Cc1ccc(C(=O)O)c(C=NNC(=O)NC2CCCC2)c1	1776040077	OTHICVDIVPIRIF-UHFFFAOYSA-N	300.318	1.832	50	20	DDGD	
O=C(Cc1ccccc1O)NN=Cc1ccc(C(=O)O)c(O)c1	1776094247	JAKDZMSEXOEOOP-UHFFFAOYSA-N	314.297	1.489	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NN=Cc1cc(C(=O)O)ccc1N(C)C	1776102417	PHOMQVYRHASBJR-OCCSQVGLSA-N	319.361	1.326	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)C3CC3)C2)C1	1784910563	OIBSZEMQZQEJEC-SWLSCSKDSA-N	314.813	1.244	50	20	DDGD	
C[C@@H]1C[C@@H]1C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1	5694169	VZBVYHNQPMVDDI-KCJUWKMLSA-N	310.737	1.300	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc2c(c1)NC(=O)CS2	17820199	WKAQRHFRIBNEQS-UHFFFAOYSA-N	307.375	1.538	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)c2ccccc2)cccc1[N+](=O)[O-]	158767462	VSMJIXBJPIZGEH-UHFFFAOYSA-N	313.313	1.907	50	20	DDGD	
COC(=O)NNC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1	158857298	MFDAJCFKUFFGEQ-UHFFFAOYSA-N	308.725	1.835	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc2nnc(C(F)F)n2c1	163650654	YOSIUBDKCPGXKQ-UHFFFAOYSA-N	311.292	1.474	50	20	DDGD	
O=C(NNC(=O)C(C1CC1)C1CC1)c1ccc2c(c1)OCCO2	163661862	HDNCEQPWVCQUIK-UHFFFAOYSA-N	316.357	1.655	50	20	DDGD	
Cn1cc(NC(=O)NNc2ccc(C(F)(F)F)cn2)cn1	154100557	LYUKAOWSFKVRGF-UHFFFAOYSA-N	300.244	1.983	50	20	DDGD	
COCCC1(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)CC1	156779145	SJJINLBDFQIIMC-UHFFFAOYSA-N	315.373	1.675	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CCCCO1	159809032	OCHGYXZGPMCGOJ-MFKMUULPSA-N	310.325	1.310	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)c2ccc[nH]2)cccc1[N+](=O)[O-]	159837320	AFZYPSBNELMJLG-UHFFFAOYSA-N	302.290	1.235	50	20	DDGD	
CCNC(=S)NNC(=O)COc1ccc(Cl)cc1Cl	6447231	IJNKWEOIAGKEAQ-UHFFFAOYSA-N	322.217	1.887	50	20	DDGD	
CCOC(=O)NNC(=S)Nc1ccc(C(=O)OCC)cc1	6517842	MLXMSFXSKPJPFK-UHFFFAOYSA-N	311.363	1.811	50	20	DDGD	
Cc1cnc(NC(=O)NNC(=O)CCc2ccccc2O)s1	106251976	VROKFJOIISLQAH-UHFFFAOYSA-N	320.374	1.943	50	20	DDGD	
CNC(=O)NNC(=O)c1cccc(OCc2ccccc2C#N)c1	56377384	QLXVVZSFSHMXHY-UHFFFAOYSA-N	324.340	1.711	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)c1cnns1	56829618	KQPQZRYFFJBHDZ-UHFFFAOYSA-N	312.354	1.695	50	20	DDGD	
CN(C)N(C(=O)CC1CCCCCC1)[C@@H]1CCS(=O)(=O)C1	175612881	IGZPWZFREKOTNY-CQSZACIVSA-N	316.467	1.839	50	20	DDGD	
Cc1cc(C)c(CC(=O)NNC(=O)c2cnn(C)c2)c(C)c1	179933781	LZILQMGBWXZJAY-UHFFFAOYSA-N	300.362	1.349	50	20	DDGD	
CC(C)CC[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1cnn(C)c1	172226504	WRNXVYIPKPMWCV-GXTWGEPZSA-N	321.425	1.969	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1)C1CCC1	69707509	KDFBWMDUQIFIHT-CYBMUJFWSA-N	323.299	1.405	50	20	DDGD	
COc1ccnc(NNC(=O)c2cccnc2C(F)(F)F)n1	179461257	GRVNGLGTJVULOP-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(-n2nc(C)cc2C)c(F)c1	69697190	ALIYIFJQZMTNPX-UHFFFAOYSA-N	319.340	1.592	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc[nH]2)cc1C	178266121	YRWCLMWILXQDDQ-UHFFFAOYSA-N	300.318	1.031	50	20	DDGD	
CC(C)C[C@H](C)NC(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1351174559	KYARECBVPIEAMK-CWSCBRNRSA-N	319.243	1.827	50	20	DDGD	
Cc1occc1C(=O)NCC(=O)NNc1c(F)cccc1F	118511633	KFFVDMBWJGRPNA-UHFFFAOYSA-N	309.272	1.739	50	20	DDGD	
O=C(NNC(=O)c1cccc(-n2cccn2)c1)c1ccccc1	116616177	NQOUOMGCGDCTTB-UHFFFAOYSA-N	306.325	1.947	50	20	DDGD	
COc1ccc(CCNC(=O)NNc2ccccn2)cc1OC	25099111	LBGSSFSMQXGBRI-UHFFFAOYSA-N	316.361	1.968	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N(C)CCn2cccn2)cc(C#N)n1C	111038271	FURUMYRERLSNRG-DHDCSXOGSA-N	322.372	1.467	50	20	DDGD	
CCOCC(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	66654666	PLODOINWSZVNTP-SECBINFHSA-N	300.742	1.291	50	20	DDGD	
CC[C@H](COC)NC(=O)NNC(=O)c1c[nH]c2ccccc12	129204169	VFXUNJVGLCMEIA-SNVBAGLBSA-N	304.350	1.537	50	20	DDGD	
N#Cc1cccc(NNC(=O)NC2CCN(CC(F)F)CC2)c1	64256234	COYDQFLKNSYIRW-UHFFFAOYSA-N	323.347	1.914	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)CC(=O)NCC(F)(F)F)c1	182145046	QTMHIZDWWOQDDU-UHFFFAOYSA-N	303.284	1.815	50	20	DDGD	
COc1cc(C)ccc1NC(=O)NNC(=O)c1cc(C)n[nH]1	184550019	SWCXIJIKEMZSHS-UHFFFAOYSA-N	303.322	1.502	50	20	DDGD	
CCC[C@H]1C[C@H](C(=O)NNC(=O)c2ccc(C#N)cc2)CCO1	183647876	QRSZTASBEZLZAK-CABCVRRESA-N	315.373	1.915	50	20	DDGD	
CSC1(C(=O)NNC(=O)COc2cc(C)ccc2C)CC1	189697219	ASUWDIFKNVMHDM-UHFFFAOYSA-N	308.403	1.725	50	20	DDGD	
C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)NNc2cccnn2)C1	77349321	FHBFUQOOVJSBTQ-CHWSQXEVSA-N	320.441	1.859	50	20	DDGD	
CC[C@@H](NC(=O)NNc1nc2ccccn2n1)[C@H]1CCCO1	189678859	WKHMJRHEPFVMLZ-GHMZBOCLSA-N	304.354	1.313	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Cc1ccc(-n2cccn2)cc1	127283368	POXUHIFMNMHMFW-UHFFFAOYSA-N	300.362	1.608	50	20	DDGD	
Cc1c(Cl)ccc2c1N(CC(=O)NNC(=O)C1CC1)CCC2	127513145	SOQFNFSDWVLULJ-UHFFFAOYSA-N	321.808	1.958	50	20	DDGD	
CC(C)C[C@@H](CCO)CNC(=O)NNc1ccc(Cl)nn1	120916719	BQSNXZKERJNOIN-SNVBAGLBSA-N	315.805	1.801	50	20	DDGD	
COc1ccc(CNS(=O)(=O)CBr)c(OC)c1	127455753	LSLXPZIYGXSUOP-UHFFFAOYSA-N	324.196	1.476	50	20	DDGD	
COc1cc(C)ccc1NC(=O)NNC(=O)c1cnn(C)c1	184551023	HKVOTTJLXDHPDD-UHFFFAOYSA-N	303.322	1.204	50	20	DDGD	
COc1ccc2c(c1)C[C@H](C(=O)NNc1ncccn1)CO2	124476169	ROQILLNQDXOYGT-NSHDSACASA-N	300.318	1.180	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCc2ccco2)cc1C	73117805	FTVGRHPFRWVZHA-UHFFFAOYSA-N	317.345	1.806	50	20	DDGD	
O=C(CCCc1ccc(Cl)cc1)NNC(=O)C(=O)NC1CC1	44349953	IPHGFFHMSPPUTC-UHFFFAOYSA-N	323.780	1.089	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1	46305544	QKWWJXSZSKCBLD-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
N#Cc1cc(F)c(C(=O)NNC(=O)Cc2cccnc2)c(F)c1	132834287	VNRGVXMHYQFVDV-UHFFFAOYSA-N	316.267	1.235	50	20	DDGD	
COc1nccnc1NNC(=O)c1cnn(C)c1-c1ccccc1	131962458	XBSKVUXCJPRHBC-UHFFFAOYSA-N	324.344	1.643	50	20	DDGD	
CC[C@]1(C(=O)NNc2nc(-c3ccccc3)no2)CCCN1	134470970	JEAQDHVPZYQBAZ-OAHLLOKOSA-N	301.350	1.712	50	20	DDGD	
Cc1ccn(CC(=O)NNc2ccc([N+](=O)[O-])cc2)c(=O)c1	194938316	MCNSFULCIUNNPA-UHFFFAOYSA-N	302.290	1.208	50	20	DDGD	
O=C(NNC(=O)c1cc(F)cc2nccnc12)c1ccncc1	193577659	UNVILXKGIDDEEF-UHFFFAOYSA-N	311.276	1.239	50	20	DDGD	
O=C(NCCc1cccc(F)c1)NNc1nc2ccccn2n1	190587262	WDDLKGXVBKMIEY-UHFFFAOYSA-N	314.324	1.737	50	20	DDGD	
O=C(CCc1nc2ccccc2[nH]1)NNc1nc2ccccn2n1	191914061	TZQOMBUQUYLXKB-UHFFFAOYSA-N	321.344	1.682	50	20	DDGD	
COc1nccnc1NNC(=O)Cc1ccccc1OC(C)C	132044863	RWGWDYMSQJIMIC-UHFFFAOYSA-N	316.361	1.958	50	20	DDGD	
CCC(=O)N1CCC[C@@H](C(=O)NNc2cccnc2Cl)C1	85683897	TWZSMMXOMSFRHW-SNVBAGLBSA-N	310.785	1.827	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCOc2cccc(F)c2)n1	47067131	AHBZCRJNJIUROR-UHFFFAOYSA-N	319.340	1.938	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Cc1ccc(F)c(F)c1	87271940	OYLDHNOEABOQOU-UHFFFAOYSA-N	320.295	1.977	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)C2CCC(O)CC2)c1	194030093	JLVWPCIRWPXEIC-UHFFFAOYSA-N	305.378	1.065	50	20	DDGD	
CNC[C@H]1CCCN(C(=O)c2c(C)nn(CCCl)c2C)C1	237309259	HBZNUTQOWQFBDB-CYBMUJFWSA-N	312.845	1.810	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccnc(OCC(F)(F)F)c1	266115664	XFOROEZQBNERMJ-UHFFFAOYSA-N	303.240	1.194	50	20	DDGD	
CNC(=O)NNC(=O)C(C)(C)c1cccc(C(F)(F)F)c1	263836746	BPLKARJZALFPLC-UHFFFAOYSA-N	303.284	1.943	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	266562414	VWMAOZKZCLEFBW-UHFFFAOYSA-N	313.379	1.289	50	20	DDGD	
COC[C@H](NC(=O)NNc1cccc([N+](=O)[O-])c1C)C1CC1	269704399	LLEWFLBZXFBOLA-LBPRGKRZSA-N	308.338	1.954	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNC(=O)C1CCCCCC1	263767719	WZPCHVFYDKNQNG-UHFFFAOYSA-N	323.418	1.596	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCCn2ccnc2C)n1	266950058	KBGPIHWDYGABGV-UHFFFAOYSA-N	319.369	1.015	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC12CCOCC2)c1cc(Cl)ccc1O	365827698	JPHKNLSSVLMCON-NSHDSACASA-N	324.764	1.623	50	20	DDGD	
COCC[C@@H](C)NC(=O)NNC(=O)COc1cc(C)ccc1C	263739097	OGFMCCXKFOBDGD-CYBMUJFWSA-N	323.393	1.438	50	20	DDGD	
C[C@H]1C[C@H](CNC(=O)NNC(=O)c2ccccc2O)CCO1	271580722	QWMISLNQYPJVDH-WDEREUQCSA-N	307.350	1.151	50	20	DDGD	
C[C@@H]1CCC[C@@H]1CC(=O)NNC(=O)COc1ccccc1O	274455837	NOFGYUJSPIZOEW-VXGBXAGGSA-N	306.362	1.745	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H]2C=C[C@H](CO)C2)cc(C#N)n1C	270783963	YPZYJFZAOOPFRD-JMIOORHUSA-N	310.357	1.165	50	20	DDGD	
O=C(NNc1cnccn1)Nc1ccc(O[C@@H]2CCOC2)cc1	271398533	MFIWDATUQXDYPS-CYBMUJFWSA-N	315.333	1.793	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc2nnc(C(C)(C)C)n2c1	274436121	OWQSLOFJCRXDGD-UHFFFAOYSA-N	318.381	1.379	50	20	DDGD	
CN(C)N(C(=O)c1sccc1Cl)[C@@H]1CCS(=O)(=O)C1	289537970	FGLUOQUCWYUBIK-MRVPVSSYSA-N	322.839	1.507	50	20	DDGD	
C[C@@H](C(=O)NNc1nccnc1Cl)N(C)CC(F)(F)F	287340830	FIMDXJGQXDFCLV-LURJTMIESA-N	311.695	1.456	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H]2CC=CC[C@H]2C)c1O	285165618	ZJSCCSFVHIPRIY-GHMZBOCLSA-N	304.346	1.764	50	20	DDGD	
CNC(=O)C1(C(=O)NNC(=O)Nc2ccc(Cl)cc2)CC1	283815880	YJKBFAWFFGDSEF-UHFFFAOYSA-N	310.741	1.019	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc(O[C@H]2CCOC2)cc1	294125397	KTGXQVBMMVXTKV-AWEZNQCLSA-N	304.346	1.415	50	20	DDGD	
CC(C)n1ncc(C(=O)NNc2nccnc2C2CCC2)c1N	805462145	ACFLJRZGCIALIA-UHFFFAOYSA-N	315.381	1.861	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H](C)OCCc1ccccc1	294610658	DLHCXGHLRVAJAR-ZDUSSCGKSA-N	323.393	1.001	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H]2CCC(=O)c3ccccc32)O1	293814330	DTICHMIMLQBKNX-XEGUGMAKSA-N	316.357	1.462	50	20	DDGD	
CC(C)Cc1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)cc(O)n1	295358806	JCYDWDLNYUGCFF-ZDUSSCGKSA-N	321.377	1.316	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cc(Br)ccc1O	294842271	YLQYYHYRNIQPDN-UHFFFAOYSA-N	316.155	1.507	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CC23CCC3)cc1	801109101	VFAZSPKSAPKJHF-GFCCVEGCSA-N	301.346	1.271	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC2CC2)c2c(C)nn(C)c2n1	294273443	VAGHVIGCBDYWSS-UHFFFAOYSA-N	301.350	1.146	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H]1C[C@H](c2ccccc2)OC1=O	294009110	BFQIFDPLWPBORQ-QWHCGFSZSA-N	302.330	1.238	50	20	DDGD	
C[C@@H](CCc1cccn1C)NC(=O)NNC(=O)[C@H]1CCCCO1	296589611	UMGWUWGSIUKFBP-GXTWGEPZSA-N	322.409	1.246	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1ccc([N+](=O)[O-])cc1	296467355	VSHRJQPLNJZCTL-NSHDSACASA-N	308.294	1.317	50	20	DDGD	
C=CCN(CCC#N)CC(=O)NNC(=O)Cc1ccccc1C	292280757	SVSICOHZERNJKT-UHFFFAOYSA-N	314.389	1.087	50	20	DDGD	
COCCN(C)NC(=O)[C@H](C)NC(=O)c1ccc(Cl)cc1	294309522	IABSGYLDUONJQM-JTQLQIEISA-N	313.785	1.068	50	20	DDGD	
CC[C@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1	818139232	JGFXLAOONGDZEN-VIFPVBQESA-N	312.753	1.690	50	20	DDGD	
CON(C)C(=O)CNC(=O)CCCC[C@@H]1CCSS1	817660365	JKFWINPSQKAUED-SNVBAGLBSA-N	306.453	1.837	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)COc1ccc(C)c(C)c1)OC	812592977	FFAMZLQYYFYNPP-CYBMUJFWSA-N	323.393	1.438	50	20	DDGD	
CO[C@H]1CCC[C@@H](C(=O)NNc2nc(-c3cccnc3)no2)C1	815546616	QYVQHIXZVWXCAR-PWSUYJOCSA-N	317.349	1.780	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)Cc1ccc(Cl)cc1)OC	811968444	IWYWVVCSSSITFD-LBPRGKRZSA-N	313.785	1.638	50	20	DDGD	
Cn1cc(C(=O)NNc2ncnc3[nH]cnc23)c(C2CCC2)n1	819881643	BFYKJJRBVVDYAI-UHFFFAOYSA-N	312.337	1.111	50	20	DDGD	
O=C(NN=C1CCOC[C@H]1CN1CCCCC1)c1ccnnc1	817340966	WPQMTWWIZSJARU-CQSZACIVSA-N	317.393	1.085	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)[C@H](C)CN1CCCCC1	811634810	BZXAMSACMDXVJU-TZMCWYRMSA-N	308.426	1.269	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1ccc(Oc2cnccn2)cc1	814957103	LRDBUBLAXCNLCL-UHFFFAOYSA-N	322.328	1.685	50	20	DDGD	
CCC(=NNC(=O)C(=O)NC(CC)CC)c1ccc(F)cn1	814854720	VEYDGNLOSIRXGS-UHFFFAOYSA-N	308.357	1.756	50	20	DDGD	
COC(=O)c1ccc(C(C)=NNC(=O)N=c2cc[nH]cc2)cc1	815002028	IWWWJLNVBHETRH-UHFFFAOYSA-N	312.329	1.836	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)N=c2cc[nH]cc2)c(O)c1	815000831	QCJGUXSZQVQIFC-UHFFFAOYSA-N	300.318	1.763	50	20	DDGD	
Cc1ccc(CC(=O)NNc2cccc(-c3nn[nH]n3)c2)cn1	826286393	AICOMFXMGYFAOI-UHFFFAOYSA-N	309.333	1.256	50	20	DDGD	
Cn1nc(C(=O)NNc2nc3ccccc3[nH]2)c2c1CCCC2	827515679	DYTLSDSHUHWMEM-UHFFFAOYSA-N	310.361	1.932	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1F	826447175	RHYWTKMEXHZFLL-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
CC(C)N1CCC[C@@H]1C(=O)NNC(=S)Nc1ccccn1	829002651	BNZOZSLNIDQHLX-LLVKDONJSA-N	307.423	1.272	50	20	DDGD	
CCCNC(=O)/C(C#N)=C\c1cccc(O[C@H](C)C(=O)O)c1	490943825	TXOOOKNHAYMNSD-JYVXZMADSA-N	302.330	1.972	50	20	DDGD	
CN1CC[C@@H](C(=O)NNC(=O)Cc2cccc3ccccc23)C1	729662806	XVGOLFBOIUJNFN-OAHLLOKOSA-N	311.385	1.481	50	20	DDGD	
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1cccc(F)n1	496261488	GRWYOJBQTFXGTQ-SECBINFHSA-N	312.345	1.967	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCC(C)(C)[N+](=O)[O-])cc1	822203800	OTANPEKUCCOPOE-UHFFFAOYSA-N	307.350	1.846	50	20	DDGD	
CC(C)(CNC(=O)c1ccc(B(O)O)c(F)c1)CC(F)(F)F	585009969	DIAFYEZQPCZRME-UHFFFAOYSA-N	321.079	1.214	50	20	DDGD	
CN(NC(=O)Cc1cccc(-c2nn[nH]n2)c1)c1ccccc1	821619455	YGYWKMFHQFTOBQ-UHFFFAOYSA-N	308.345	1.577	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNc2ccc(F)c(F)c2F)c1	728715747	ZGLBGMKHMOBVPG-UHFFFAOYSA-N	309.247	1.960	50	20	DDGD	
CO[C@@H]1COC[C@H]1NC(=O)NNc1c(F)cccc1Cl	827931177	WRRWPYBSMGSKFU-NXEZZACHSA-N	303.721	1.519	50	20	DDGD	
O=C(NNC(=O)C1(Br)CC1)OCC(F)(F)F	824620175	YRUPGWQRPWEPNX-UHFFFAOYSA-N	305.050	1.234	50	20	DDGD	
C[C@]1(C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)C[C@H]1Br	907963984	YRCJAPPOJZNNID-SREGZZRCSA-N	317.183	1.117	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)NNc1ccncn1	497027988	VBDAWQLJBTWSLS-NSHDSACASA-N	321.381	1.709	50	20	DDGD	
CC[C@@H](CNC(=O)c1ccc(B(O)O)c(F)c1)CC(F)(F)F	585002012	KKPXNYAWAYZPKZ-MRVPVSSYSA-N	321.079	1.214	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cccc(Br)c1F	823927662	CQLVQDPEIPUXPW-SSDOTTSWSA-N	305.147	1.546	50	20	DDGD	
COc1c(C(=O)NNc2oc(C(C)C)nc2C#N)c(C)nn1C	732755355	SPFYFGCBWXHQAF-UHFFFAOYSA-N	318.337	1.477	50	20	DDGD	
O=C(c1ncoc1-c1ccc(F)cc1)N1CC[C@@H](B(O)O)C1	585067334	VZRCDHIVYHMIBQ-SNVBAGLBSA-N	304.086	1.170	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cccc(NC(=O)c2ccco2)c1	495760482	HLVNMQWBDJSGPU-UHFFFAOYSA-N	317.301	1.875	50	20	DDGD	
CC[C@@H](NC(=O)c1ccc(B(O)O)cc1)c1nc(C)cs1	584941679	NOIGFUQHZGTVRB-GFCCVEGCSA-N	304.180	1.012	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCC[C@H]2Oc2ccccc2)cc1	585023436	LBDVRJFIGMUSFW-ZWKOTPCHSA-N	311.190	1.456	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1nnc(NC2CC2)s1	731904171	HHQYUOPELKFSLY-LURJTMIESA-N	315.424	1.150	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)/C=C\[C@H]2CCOC2)cc1F	493021745	MRRVADQEBDJDBY-ODTOEKCJSA-N	308.309	1.648	50	20	DDGD	
Cc1ncc2c(n1)CC[C@H](NC(=O)[C@@]1(C)C[C@@H]1Br)C2	905920487	CDGSSGAVWBTOGT-JKOKRWQUSA-N	324.222	1.932	50	20	DDGD	
CO[C@@H]1C[C@H](N(C)C(=O)/C(C#N)=C\c2cnn(C)c2)C12CCC2	491176167	NXKYAPIMAYXBCH-VBUBNCOFSA-N	314.389	1.743	50	20	DDGD	
Cc1cc(CC(=O)NN=C[C@H](C)CNC(=O)OC(C)(C)C)n[nH]1	495902129	BFNKYFLTBGSQMW-SNVBAGLBSA-N	323.397	1.523	50	20	DDGD	
O=C(NN[C@@H](C(=O)O)c1cccnc1)c1ccc(Cl)cc1F	833148937	BJOWDIPTQRVPMK-GFCCVEGCSA-N	323.711	1.934	50	20	DDGD	
O=C(Cc1cc(F)c(F)cc1F)NNC(=O)[C@H]1CCCCO1	833246528	MBASJEFYGTZNDM-GFCCVEGCSA-N	316.279	1.363	50	20	DDGD	
CC(C)(C)c1nc(CCNCc2ccccc2B(O)O)cs1	585031788	JUDNZAGHUKUIEH-UHFFFAOYSA-N	318.251	1.453	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2CCN3CCCC[C@H]23)C[C@@H]1Br	906198928	LOLQTRKKKYZEDT-DCQANWLSSA-N	301.228	1.903	50	20	DDGD	
O=C(O)NCCCC(=O)NNc1c(F)c(F)nc(F)c1F	739956129	BAEAHJHNLGNRGT-UHFFFAOYSA-N	310.207	1.129	50	20	DDGD	
COc1cccc(NCC(=O)NN=Cc2ccc(CO)o2)c1	739412406	AIQROZBOTGYSLC-UHFFFAOYSA-N	303.318	1.343	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C	830545489	HHMNHMSECKVPDI-UHFFFAOYSA-N	308.338	1.086	50	20	DDGD	
Cc1ccc(NC(=O)C(C)C)cc1NCc1ccc(B(O)O)o1	585012631	OJORZWFKLWJTDI-UHFFFAOYSA-N	316.166	1.474	50	20	DDGD	
C[C@H]1C[C@@H](NCc2ccccc2B(O)O)CN1Cc1ccccc1	585028462	KVODVSQYBFSWFL-MAUKXSAKSA-N	324.233	1.119	50	20	DDGD	
CC(=NNC(=O)c1cnsn1)c1cnn(CC2CCC2)c1	901276341	LWXDPPPUXPISLH-UHFFFAOYSA-N	304.379	1.689	50	20	DDGD	
CCCn1ncc(C(=O)Nc2cccc(B(O)O)c2)c1C1CC1	584913367	VAKXVUKCUKUEOJ-UHFFFAOYSA-N	313.166	1.103	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCC2=CCCOC2)cc1F	838592701	TXZNMVIIKDIWNE-UHFFFAOYSA-N	323.324	1.585	50	20	DDGD	
CCc1c(C(=O)NNC(=O)[C@@H]2CCCCO2)cnn1CC(C)C	833246897	UEFZNZSXDMDGQG-AWEZNQCLSA-N	322.409	1.432	50	20	DDGD	
C[C@]1(C(=O)Nc2n[nH]c(-c3ccccn3)n2)C[C@@H]1Br	906374390	GUEXMDSYRLXHAY-UFBFGSQYSA-N	322.166	1.979	50	20	DDGD	
Cc1csc([C@@H](NCc2ccccc2B(O)O)C2CC2)n1	585027432	SPEVUKNSJSPIBZ-AWEZNQCLSA-N	302.208	1.372	50	20	DDGD	
CC(C)[C@]1(C)C[C@@H]1NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	838764376	AUFGDMBYHDRQRR-WFASDCNBSA-N	320.349	1.973	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@H]1CCCCC1(F)F	831754693	VMEHQUAZUNNYFS-ZCFIWIBFSA-N	303.231	1.705	50	20	DDGD	
CC(=NNC(=O)CSc1nc(C)cc(C)n1)c1ccncn1	834919385	DAWQFBILHUJRAB-UHFFFAOYSA-N	316.390	1.516	50	20	DDGD	
CC(C)c1ccc(NNC(=O)NC[C@@H]2CCCNC2=O)cc1	838776409	BDEGSHOBDYGEPB-ZDUSSCGKSA-N	304.394	1.962	50	20	DDGD	
C[C@@]1(CC(=O)NNC(=O)[C@H]2CCCCO2)CC1(Cl)Cl	833236640	UEOAIPDFDHXXOU-LDYMZIIASA-N	309.193	1.677	50	20	DDGD	
C[C@@H]1CC=C(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1	836204202	ZXTZMLJHYJDQIU-ABAIWWIYSA-N	316.357	1.720	50	20	DDGD	
Cc1cnc(O)n1-c1ccc(C(=O)NNC(=O)C(C)(C)C)cc1	919983105	KNLNZQXQSRJHTQ-UHFFFAOYSA-N	316.361	1.693	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)COCc1nc2ccccc2s1	910177972	PGMPPFMCSBEMMD-SNVBAGLBSA-N	309.391	1.157	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCC[C@H](C)OC)cc1F	838187231	ZAALLKNXCXKTGS-VIFPVBQESA-N	313.329	1.663	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21	837624338	ZKSSYMZGQXEWPN-LACSLYJWSA-N	321.421	1.711	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1c1ccccc1)[C@@H]1CCCCO1	833235620	HXGNZXNISGDMLY-CABCVRRESA-N	317.389	1.372	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC[C@H](O)[C@@H]1C(=O)O	911637666	QNBQDSSUANQXTL-DJLDLDEBSA-N	322.199	1.233	50	20	DDGD	
O=C(NCCN1CCCOCC1)NNc1ccccc1Cl	838616603	PWCSYHWBXIHVLO-UHFFFAOYSA-N	312.801	1.688	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2CCN(c3ccccc3)C2)n1	830961757	GQWIWYBOWZLXQJ-CQSZACIVSA-N	324.384	1.678	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H]1CCCc2nn[nH]c21	834580900	RJSZVJFIQLOEJO-SECBINFHSA-N	301.354	1.281	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=Cc2ccccc2O)C[C@@H](C)O1	916370678	DQDHBKCCVCGTLD-MELADBBJSA-N	319.405	1.588	50	20	DDGD	
CC[C@H]1CN([C@H](C)C(=O)NNC(=O)CC(C)C)CCS1	744424720	RDRBTCVWBOXWNB-NEPJUHHUSA-N	301.456	1.396	50	20	DDGD	
Cc1onc(-c2cccc(F)c2)c1C(=O)NN(C)[C@H](C)CO	911445532	XMXHTBPXXDTGNU-SECBINFHSA-N	307.325	1.747	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2csc(C3CC3)n2)n1	740105092	XDUBYCLJNCDZJU-UHFFFAOYSA-N	304.379	1.633	50	20	DDGD	
O=C(NN=Cc1ccc(-c2ccc(F)cc2)o1)C(=O)NC1CC1	744823701	AEJNEBKRRDORCN-UHFFFAOYSA-N	315.304	1.814	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)C	843776949	WTTZMIIUKIQOJR-JTQLQIEISA-N	301.387	1.341	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C[C@@H](C)n2ccnc2)cc1	846376803	GUFIPTMBVQTKKI-GFCCVEGCSA-N	316.361	1.693	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)[C@H]1CCCS(=O)(=O)C1	846247231	QFARVDCSAJXUNH-JTQLQIEISA-N	316.810	1.916	50	20	DDGD	
Cc1ccc2[nH]c(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)cc2c1C	843980933	YJPLDWASXSKQLD-NWDGAFQWSA-N	315.373	1.971	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H]2CCC[C@H](N)C2)c(F)c1	841981155	SQRSZVKWMMLTJL-WDEREUQCSA-N	324.356	1.508	50	20	DDGD	
COc1nc2sccn2c1C=NNC(=O)c1ccc(O)cc1	744564738	LYXBFBFVNLHAHJ-UHFFFAOYSA-N	316.342	1.874	50	20	DDGD	
NC1(CNC(=O)NNC(=O)Nc2cc(F)cc(F)c2)CCC1	841967145	NFKCMUZHASCQOK-UHFFFAOYSA-N	313.308	1.182	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1(c2cccc(F)c2)CCC1	843645446	RDRJJYJNXSRDLE-BXUZGUMPSA-N	320.364	1.820	50	20	DDGD	
CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)NN)CC1	841774587	MKHODYYQCDWNOB-LLVKDONJSA-N	309.389	1.202	50	20	DDGD	
NC[C@H]1CC[C@@H](NC(=O)NNC(=O)CCc2ccccc2)C1	842010802	ODHNTFOLOFPMHP-UONOGXRCSA-N	304.394	1.077	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@@]1(C)CCCNC1	841972475	IHIXZLFQHQLODW-INIZCTEOSA-N	320.393	1.029	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1cccc(OCCC(=O)O)c1	842554055	IJKQFTJSPIQDNW-BXUZGUMPSA-N	320.345	1.415	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@H](C)n1cccn1	920437405	UKXAXXCGJFGZFW-JTQLQIEISA-N	319.390	1.471	50	20	DDGD	
CN1CC[C@H]1CNC(=O)NNC(=O)Nc1ccc(Cl)cc1	925423210	FWFSXRQDAZLYRA-NSHDSACASA-N	311.773	1.380	50	20	DDGD	
CCN(CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccccc1	843651711	OPRUMXNPFZNKAK-TZMCWYRMSA-N	305.378	1.085	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@@H]2CCO[C@H]2C2CC2)cc(C#N)n1C	928057281	WDVITCHHUJZMMJ-ZMMMRQAWSA-N	324.384	1.796	50	20	DDGD	
COCCOc1ccc(C(C)=NNC(=O)c2cc[nH]n2)cc1	853392461	MKMVMRRVPFWSSB-UHFFFAOYSA-N	302.334	1.589	50	20	DDGD	
COCC(COC)NC(=O)NNc1ccc(Cl)cc1F	922729155	HGHXSYLGPRDHKF-UHFFFAOYSA-N	305.737	1.767	50	20	DDGD	
CCOC[C@@H]1CN(C(=O)NNC(=O)c2ccccc2C)CCO1	858097366	JZIJPRRBSNYKPD-ZDUSSCGKSA-N	321.377	1.087	50	20	DDGD	
COCCCOCCC(=O)NNc1cnnc2ccccc12	857126306	XHQHDZHAEYPGJS-UHFFFAOYSA-N	304.350	1.516	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H](C(=O)OC(C)(C)C)C1CCCC1	854410441	ZWVGQMXEWODMDO-NSHDSACASA-N	314.382	1.864	50	20	DDGD	
C[C@]1(CNC(=O)N2CC([C@@H]3CCOC3)C2)C[C@H]1Br	856956188	VJGVDVLCHAHGFV-IRUJWGPZSA-N	317.227	1.838	50	20	DDGD	
CC(C)c1nnnn1CC(=O)NC[C@@]1(C)C[C@H]1Br	857393635	LYGVLTPRWUZRSI-LDYMZIIASA-N	316.203	1.086	50	20	DDGD	
O=C(NN=Cc1cnc(N2CCOCC2)s1)c1ccc[nH]1	755607911	CXYDBPKFNAPQKK-UHFFFAOYSA-N	305.363	1.072	50	20	DDGD	
CC(Cc1cccs1)=NNC(=O)C(=O)Nc1ccccn1	758387486	NCBFREIMEFRFCD-UHFFFAOYSA-N	302.359	1.816	50	20	DDGD	
C=CC[C@H](CO)CNC(=O)NC[C@]1(C)C[C@@H]1Br	856954184	PIHMTLSINWBSAR-NHCYSSNCSA-N	305.216	1.644	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2C[C@@H]3CCCC[C@@H]32)n1	852219824	DUEHLJOROUDBJA-RYUDHWBXSA-N	322.434	1.016	50	20	DDGD	
CNC(=O)CCCN(C)C(=O)NC[C@]1(C)C[C@@H]1Br	856902965	LZFQUOVVDUXNRN-CABZTGNLSA-N	320.231	1.328	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CSc2nncn2C(C)C)o1	752777709	PZVWNHUQCGBDTC-UHFFFAOYSA-N	323.378	1.314	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCC([C@@H]2CCCCO2)CC1	852594420	MWBOBADMFHGNFG-OCCSQVGLSA-N	311.426	1.213	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)CC(F)(F)F)cc(OC)c1	755375984	YDMNAXWAUVRURT-UHFFFAOYSA-N	321.255	1.809	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2CCCN2C=O)c1C	854186640	QMMKLKUBAAHSIK-CYBMUJFWSA-N	320.418	1.242	50	20	DDGD	
C[C@@]1(CNC(=O)CNCC(F)(F)F)C[C@H]1Br	857007524	NHWLXWQCWGZFKE-SVRRBLITSA-N	303.122	1.428	50	20	DDGD	
C[C@]1(C(=O)N2CC[C@H](C3OCCO3)C2)C[C@@H]1Br	927997470	VCLDVQKNBSLIQO-AUTRQRHGSA-N	304.184	1.381	50	20	DDGD	
CC1=NO[C@H](C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)C1	854381388	JGIFEDSQPFDPPT-LBPRGKRZSA-N	305.338	1.070	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@]1(C#N)CC12CCCC2)C1CC1	855095561	PKDXJERDOMDQHU-BONVTDFDSA-N	306.435	1.754	50	20	DDGD	
CN(C)[C@@H]1CCCN(C(=O)NC[C@]2(C)C[C@@H]2Br)C1	856956721	TYWXVKXWQDMXQS-MDZLAQPJSA-N	318.259	1.896	50	20	DDGD	
C[C@@H]1CN(Cc2ccccn2)CCC1=NNC(=O)c1cc[nH]n1	853392049	CDDHREFJAYLTFQ-GFCCVEGCSA-N	312.377	1.433	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C/c1cc2c(cc1[N+](=O)[O-])OCCO2	920386642	BFDYANNQEGAEGT-IZZDOVSWSA-N	315.285	1.575	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)OCC(F)(F)F)c1cnn(C)c1	856025982	HHGJJPYZOONSNC-ZETCQYMHSA-N	308.260	1.233	50	20	DDGD	
CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)NNc1ccncn1	852694235	QZBBDJXKYUSFOQ-YGRLFVJLSA-N	307.354	1.225	50	20	DDGD	
C[C@@](O)(Cc1ccccc1)C(=O)NNC(=O)OCC(F)(F)F	856020951	AHLJHWYUXKKXCG-GFCCVEGCSA-N	320.267	1.300	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C2(C#N)CC(C)C2)cc1C	758152021	NSEFPIQQRGBOAW-UHFFFAOYSA-N	315.373	1.770	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)CCCn1cccc1	854283540	ZSHZDWFICGPJFK-UHFFFAOYSA-N	312.439	1.142	50	20	DDGD	
CCN1CCCN(C(=O)NC[C@]2(C)C[C@H]2Br)CC1	856953820	NCZMXFJTTNMTJD-YPMHNXCESA-N	318.259	1.897	50	20	DDGD	
CSc1cccc(NC(=O)NNC(=O)Cc2cc[nH]n2)c1C	757902812	HTNYIHHCYAWVAP-UHFFFAOYSA-N	319.390	1.835	50	20	DDGD	
CCCCNC(=O)NNC(=O)C1=Cc2cccc(OC)c2OC1	751370099	UJQXPXYTYKHIEU-UHFFFAOYSA-N	319.361	1.602	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cccnc2)cc1OC	755373182	DHINPDRJSAMPMB-UHFFFAOYSA-N	316.317	1.565	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)CC(C)(F)F)cc1	758728912	ABCZIRQPDSBXGB-UHFFFAOYSA-N	314.288	1.345	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccc(NC2CC2)nc1	855092010	MNAJYCDTZJKDHH-UHFFFAOYSA-N	319.434	1.565	50	20	DDGD	
C[C@@]1(CNC(=O)NCCN2CCCC2=O)C[C@@H]1Br	856921112	MNTCTOJJKCZRBE-CABZTGNLSA-N	318.215	1.082	50	20	DDGD	
CCn1c(O)nc2cc(C(=O)NNC(=O)CC3CC3)ccc21	854666924	BWKKEPWGCXWDPG-UHFFFAOYSA-N	302.334	1.323	50	20	DDGD	
COCCOC1CN(C(=O)c2c(C)nn(CCCl)c2C)C1	754356024	NCXJKMFBZZFOSM-UHFFFAOYSA-N	315.801	1.226	50	20	DDGD	
CCCn1cc(NC(=O)C(=O)NNc2cccc(C)n2)cn1	861959478	DTKMJDKBHOAYLI-UHFFFAOYSA-N	302.338	1.078	50	20	DDGD	
CO[C@H]1CCC[C@@H](CC(=O)NNC(=O)Cc2cc(C)[nH]n2)C1	869016795	QPNQSKXFENIMAX-YPMHNXCESA-N	308.382	1.003	50	20	DDGD	
O=C(NNC(=S)NC1CC1)c1cc(-c2ccc(F)cc2)[nH]n1	764501093	VIYPYBHWOXLLMW-UHFFFAOYSA-N	319.365	1.487	50	20	DDGD	
CCc1nnc(NC(=O)NNC(=O)c2cc(C)cs2)s1	860264012	LWMWWRWZSHRVNS-UHFFFAOYSA-N	311.392	1.937	50	20	DDGD	
C/C(=C/C1CCC(C)CC1)C(=O)NNC(=O)C(=O)NC(C)C	864600894	LRRKLSZIMYWZBS-XFXZXTDPSA-N	309.410	1.431	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H](Oc2ccccc2)C(C)(C)O)cc[nH]1	862514258	WAJGZXSCEDOHPJ-HNNXBMFYSA-N	315.373	1.474	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)O)CN1S(=O)(=O)CC(C)(C)CCl	864496997	XBDWPPDNYMIVFT-ZJUUUORDSA-N	311.831	1.766	50	20	DDGD	
CC(C)Cc1ncc(C(=O)NNC(=O)Cc2ccncc2)s1	934044781	ZSAVJYKZEXZFKH-UHFFFAOYSA-N	318.402	1.740	50	20	DDGD	
CNc1nc(C(=O)NN=c2sc3ccccc3n2C)cs1	769474653	MOQUKNGZGXAECX-UHFFFAOYSA-N	319.415	1.984	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@H]1CCOC2(CCC2)C1	769195537	ZPKIFGWUXRBVKX-NSHDSACASA-N	321.352	1.871	50	20	DDGD	
COc1ccccc1OCC(=O)NN=CC1(OC)CCOCC1	761748731	DJPKCAOZKIIJER-UHFFFAOYSA-N	322.361	1.372	50	20	DDGD	
Cn1ccc(C(=O)NNC(=S)NCCc2cccs2)c1	763738513	KHFBOAVEOUJIAA-UHFFFAOYSA-N	308.432	1.438	50	20	DDGD	
CCCOc1ccccc1NC(=O)C(=O)NNC(=O)CC1CC1	764145268	ZRNKVTDLFXWRNE-UHFFFAOYSA-N	319.361	1.361	50	20	DDGD	
O=[N+]([O-])c1cc(Cl)ccc1COc1ccc(B(O)O)cc1	864048300	OTTDXDZTRGVOHT-UHFFFAOYSA-N	307.498	1.507	50	20	DDGD	
CCc1c(C(=O)NNc2ccn(C)n2)cnn1CCC(C)C	1118048259	MMGWNTPAWFOTRG-UHFFFAOYSA-N	304.398	1.982	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCCc1ccncc1	762675714	YUQDJPYGULTNDQ-UHFFFAOYSA-N	316.336	1.336	50	20	DDGD	
C[C@H]1CCc2nc(NC(=O)NNC(=O)c3cc[nH]n3)sc2C1	1118600782	PGBLACYKHXZKCS-ZETCQYMHSA-N	320.378	1.458	50	20	DDGD	
Cn1cc(C(=O)COC(=O)[C@@H](Br)C(C)(C)C)cn1	766748911	KDCZNBYGOSXKHX-SNVBAGLBSA-N	317.183	1.956	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1cncc(OCC(F)F)c1	1116317231	GTKYTSUUWZCKAO-UHFFFAOYSA-N	322.271	1.195	50	20	DDGD	
CC(=O)c1cc(C(=O)NNc2ncnc3ccsc23)n(C)c1	766671801	RSFXVGCIVMDQKC-UHFFFAOYSA-N	315.358	1.989	50	20	DDGD	
CC[C@@H]1C[C@@H](C)CCC1=NNC(=O)[C@@H](C)NS(C)(=O)=O	769573267	BMIMXCQSESYSHL-HBNTYKKESA-N	303.428	1.243	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1CCN(c2ccccc2F)C1	875615467	OICRFDVJNQCTHB-JTQLQIEISA-N	310.329	1.317	50	20	DDGD	
CC(C)CN1N=C(C(=O)NNc2ccc(F)cn2)CCC1=O	874649462	OFTNWQDZHBJETC-UHFFFAOYSA-N	307.329	1.298	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(NC(=O)C2CC2)ccc1C	878262406	NQCVBQDCBDUEMF-UHFFFAOYSA-N	320.393	1.958	50	20	DDGD	
Cc1cc(=NNC(=O)NCCOc2ccccc2C)cc[nH]1	875134287	UABRSAOLFGTMFE-UHFFFAOYSA-N	300.362	1.825	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=C2CCC[S@](=O)CC2)cc1	872411151	DDKZHYKFOVFKGB-NRFANRHFSA-N	308.359	1.403	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H]2CCCNC2=O)c1	873756828	RGMKJRYFLDEIRB-LLVKDONJSA-N	320.418	1.147	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1ccc(N)cc1	777903894	FICKEWKWORSHSG-UHFFFAOYSA-N	306.366	1.634	50	20	DDGD	
O=C(CC1OCCCO1)NNC(=O)c1nc2ccccc2s1	874914361	UEHWZOYBLUQAGA-UHFFFAOYSA-N	321.358	1.210	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@]1(C)CC(c2ccccc2)=NO1	874193428	WNLWVOZTCXAQGT-INIZCTEOSA-N	318.377	1.700	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)/C=C/[C@@H]1CCOC1	873770615	RZAHHYKIOARJNS-XUIVZRPNSA-N	321.402	1.606	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2cccc(Cl)c2)ncn1	773729716	VDBZDPDLKALYMY-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1nc2cccc(Cl)c2n1C	773492437	YJAUGGCSJJNRIZ-UHFFFAOYSA-N	323.784	1.713	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)C2CCOCC2)ccc1F	879314113	UUWDCYITCKHEGC-UHFFFAOYSA-N	311.313	1.414	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CC(=O)CC[C@@H]2C)cc(C#N)n1C	885098180	ZCOMERRVMFRRTO-REPOHMLUSA-N	310.357	1.692	50	20	DDGD	
COCc1ccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)cc1	773556736	NAPXSKXCVHOVJD-UHFFFAOYSA-N	323.349	1.327	50	20	DDGD	
CC(C)(CO)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	776351411	ZUOUENFOZOVJQP-UHFFFAOYSA-N	310.741	1.852	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)[C@@H](CO)c1ccccc1	772744311	ZQOAUEXXHPUINU-HIFRSBDPSA-N	321.421	1.234	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@](C)(O)CCc1ccccc1	887148263	UZYFZZUGOMVLKP-KRWDZBQOSA-N	302.374	1.321	50	20	DDGD	
CCC[C@@H](C(=O)NNc1nccnc1OC)c1ccccn1	774462955	CFKHIAPWHPNYGP-LLVKDONJSA-N	301.350	1.907	50	20	DDGD	
CCOc1ccc(CNC(=O)NNC(=O)C2CCOCC2)cc1	883202487	CMBSPTRDBNNKFV-UHFFFAOYSA-N	321.377	1.342	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCc1ccccc1F	771904991	QYHWDWHXPRBMCX-SNVBAGLBSA-N	310.325	1.247	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(Cl)nc(N(C)C)c1	887144188	DVBFXAYUYHLUMD-UHFFFAOYSA-N	308.769	1.366	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2ccc(Cl)cc2)ncn1	783340381	ROGVSPPJFXBAOK-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
CC(=O)NNC(=O)Nc1cc(-c2ccc(Cl)s2)nn1C	786544853	OLTUSXLIZIIARF-UHFFFAOYSA-N	313.770	1.975	50	20	DDGD	
COc1cc(C)ccc1C(=O)NNc1ccnc(N(C)C)n1	781940800	MUEGNGHGASFSCU-UHFFFAOYSA-N	301.350	1.617	50	20	DDGD	
Cc1nnc([C@H](C)NC(=O)NC[C@@]2(C)C[C@H]2Br)o1	1123661203	DFMNXKFXFRTQPM-FMTFEUNWSA-N	317.187	1.912	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)nc1	781529588	CCXQYPMLZDKZBI-GFCCVEGCSA-N	320.393	1.570	50	20	DDGD	
CC(=O)c1ccc(NC(=O)C(=O)NNc2ccnc(F)c2)cc1	784851501	DIZHTJDXDMDQTP-UHFFFAOYSA-N	316.292	1.505	50	20	DDGD	
Cc1nc(CNC(=O)NC[C@]2(C)C[C@H]2Br)n[nH]1	895923411	PABMBIUCRRQADS-XCBNKYQSSA-N	302.176	1.086	50	20	DDGD	
O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncncc1Cl	781805725	RZICFJUYBBACPM-UHFFFAOYSA-N	307.697	1.724	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC2(CCCN2C)CC1	784256407	AMJWRJAVYSMACZ-CQSZACIVSA-N	324.469	1.129	50	20	DDGD	
COc1cc(NNC(=O)NCCc2ccnn2C)ccc1Cl	789190531	GDPSNSMKICUUGJ-UHFFFAOYSA-N	323.784	1.951	50	20	DDGD	
CC(C)NC(=O)NN=Cc1c[nH]ccc1=NC(=O)C(C)(C)C	783838349	YMRFTHMWLLPPEH-UHFFFAOYSA-N	305.382	1.530	50	20	DDGD	
COC(=O)N1CCC[C@H](NC(=O)NCCSSC)C1	790692845	DYTSOMIDZROJPG-VIFPVBQESA-N	307.441	1.528	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2n[nH]cc2C)c2ccccc2n1	799410194	GTAOFHCQNKPXDN-UHFFFAOYSA-N	309.329	1.650	50	20	DDGD	
CO[C@H](C)CC(=O)NNC(=O)c1cc(C)nc2ccccc12	799008407	SFBBEWAOHDIWEL-LLVKDONJSA-N	301.346	1.729	50	20	DDGD	
COc1ccc(OC)c(CNS(=O)(=O)CCCCl)c1	36881616	IETDYZXWFHJHCT-UHFFFAOYSA-N	307.799	1.752	50	20	DDGD	
CC[C@@H]1CCC[C@H]1NCC(=O)NNC(=O)Cc1ccccc1C	794575989	QHMAJISRXSIXQA-GDBMZVCRSA-N	317.433	1.853	50	20	DDGD	
COc1cccc(C=NNC(=O)Nc2ccc(C(=O)O)cc2)n1	790167331	CPGRKBDNAHWZLP-UHFFFAOYSA-N	314.301	1.944	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53	793825079	PTPMKDDCIGAHMQ-KOTNKJEMSA-N	315.804	1.994	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCC(C)=C(Br)C1	797527134	JOULPTAXZYHTKO-SECBINFHSA-N	318.215	1.307	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@H]2CCC(=O)c3cccn32)n1	790022301	ZOXNMIKSZFCLEU-MRVPVSSYSA-N	320.740	1.175	50	20	DDGD	
N#CC1(CNC(=O)NNC(=O)c2cccc3ncccc23)CC1	797580831	FRTWNUXWGXKXNL-UHFFFAOYSA-N	309.329	1.483	50	20	DDGD	
CCNc1ncc(C(=O)NNC(=O)c2cccc(C)n2)s1	795674738	FVCISYUOMLIGLH-UHFFFAOYSA-N	305.363	1.353	50	20	DDGD	
N#CC[C@H](CC(=O)NNc1ncnc2[nH]cnc12)c1ccccc1	795116785	WAFZBSYQSXGNRM-GFCCVEGCSA-N	321.344	1.884	50	20	DDGD	
Cc1cccnc1NNC(=O)CNc1ccccc1[N+](=O)[O-]	791213337	ZNNKYRDRMRAIJS-UHFFFAOYSA-N	301.306	1.853	50	20	DDGD	
C=C(CBr)COC(=O)c1ccc(-n2cnnn2)cc1	795389449	HJMRKUDEDHYFDH-UHFFFAOYSA-N	323.150	1.770	50	20	DDGD	
CSc1cccc(F)c1C(=O)NNc1ncnc2[nH]cnc12	799100356	PSEZJYTVTHARIG-UHFFFAOYSA-N	318.337	1.971	50	20	DDGD	
CCC(=NNC(=O)C[n+]1ccccc1)c1ccc(N(C)C)cc1	794454976	AEZWXJYPOITXHR-UHFFFAOYSA-O	311.409	1.971	50	20	DDGD	
Cc1c(CNC(=O)NNC(=O)c2ccc[nH]2)cccc1[N+](=O)[O-]	790564938	PGNXTGQOZDTFTE-UHFFFAOYSA-N	317.305	1.376	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(O)nc2ccc(F)cc12	798306427	HAWLGXGRIOJUCY-UHFFFAOYSA-N	320.349	1.374	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NCCOCC2CC2)nn1	1318589404	HOSWYDNSPJOCMA-UHFFFAOYSA-N	307.398	1.827	50	20	DDGD	
Nc1cnnc(NNC(=O)COc2cccc(C=O)c2)c1Cl	1319206412	AKAMERFXSJVECL-UHFFFAOYSA-N	321.724	1.047	50	20	DDGD	
Cc1cc(C)n2ncc(C(=O)NNc3ncncc3F)c2n1	1324581963	GSLPVQMVLLRRGB-UHFFFAOYSA-N	301.285	1.032	50	20	DDGD	
C[C@H](OC1CCCCC1)C(=O)NNC(=O)NCC(F)(F)F	1321623989	DDMJHGTYPCCLIZ-QMMMGPOBSA-N	311.304	1.617	50	20	DDGD	
CC1CCC(NC(=O)CN2CCN(C(=O)CCl)CC2)CC1	1323269994	SQGVSXZORUTBEV-UHFFFAOYSA-N	315.845	1.064	50	20	DDGD	
COc1ccc2c(c1)[C@@H](C(=O)NNC(=S)NC(C)C)CC2	1321136565	ZJVOFCMLGLBDJE-LBPRGKRZSA-N	307.419	1.629	50	20	DDGD	
Cc1nc([C@@H](C)NC(=O)NNC(=O)c2ccccc2F)no1	1326586999	XRTCLKMYWKQPQW-SSDOTTSWSA-N	307.285	1.222	50	20	DDGD	
Cn1c(C(=O)O)cc(Br)c1C=NNC(=O)C(F)F	1325158688	GDYRJKCERROEJV-UHFFFAOYSA-N	324.081	1.201	50	20	DDGD	
CC1=NO[C@](C)(C(=O)NNc2cccc(Br)n2)C1	1335984785	ZWPAMNXSKRXNCS-NSHDSACASA-N	313.155	1.842	50	20	DDGD	
CN(CC(=O)NNC(=O)C(C)(C)C)Cc1cc(F)cc(F)c1	1255936927	AGCAUUODTWKJTI-UHFFFAOYSA-N	313.348	1.590	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc2c(c1)C(=O)OC2	1336192636	XVYYBTDKIAPAAN-UHFFFAOYSA-N	301.302	1.313	50	20	DDGD	
N#CCOc1ccc(NC(=O)C(=O)NNc2ccccn2)cc1	1342244333	FKKKLHUXQVJPDV-UHFFFAOYSA-N	311.301	1.066	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H](O)[C@H](C)c1ccccc1F	1348501646	LMHQRJSJBOXOLG-SKDRFNHKSA-N	313.398	1.194	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=Cc2ccc(C(=O)O)o2)c1	1607185641	RUWSMWMQFRGPQL-UHFFFAOYSA-N	318.285	1.759	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(C(=O)O)c(Cl)c2)ncn1	1600095250	MVHNXTGEDZTZRW-UHFFFAOYSA-N	306.709	1.894	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)N[C@@H]2COC3(CCC3)C2)cc1	1602128437	UKRRQJQBMYURFJ-ZDUSSCGKSA-N	319.361	1.651	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O	1608169695	IYLZQFUFVZNRRO-AUXCSCPVSA-N	300.289	1.522	50	20	DDGD	
O=C(O)C1(C(=O)NNc2ccnc(Br)c2)CCC1	1605935397	HZWRRXVXSXNQBH-UHFFFAOYSA-N	314.139	1.542	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ccsc2C(=O)O)n1	1601220426	GRLUDJYTRAMBIQ-UHFFFAOYSA-N	313.726	1.229	50	20	DDGD	
Cc1nnc(NNC(=O)Nc2ccc(C(=O)O)c(Cl)c2)n1C	1600798389	HPUNISRTMBTBBB-UHFFFAOYSA-N	324.728	1.624	50	20	DDGD	
CSc1cccc(C(=O)NNc2ccc(C(=O)O)cn2)n1	1607411963	UGTBUPVWVLARFE-UHFFFAOYSA-N	304.331	1.654	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=C1CC(CC(=O)O)C1	1607973911	UOCDFHYELMGENH-UHFFFAOYSA-N	300.318	1.613	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2cnn3c2OCCC3)cc1	1602128601	QGDMUANDWNPMLK-UHFFFAOYSA-N	316.317	1.050	50	20	DDGD	
O=C(O)C1(C(=O)NNc2ncccc2Br)CC1	1608566081	IKYORVTYFRRFKR-UHFFFAOYSA-N	300.112	1.152	50	20	DDGD	
O=C(NC[C@@H]1CCCCO1)NNc1ccc(F)c(C(=O)O)c1	1601482672	OZOVFFVRJOVPKL-JTQLQIEISA-N	311.313	1.719	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(-c3nn[nH]n3)ccc2C)nc(C)n1	1605739497	HCVOISWPGUAQQJ-UHFFFAOYSA-N	324.348	1.339	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCC[C@H](CC(=O)O)C2)cn1	1605491015	KOZWQXLSAZIXRZ-CGGVXGFASA-N	302.334	1.040	50	20	DDGD	
CO[C@@H]1CCC[C@H]1CNC(=O)NNc1cccc(C(=O)O)c1	1610230282	BHGMTCGAKBKCJI-WCQYABFASA-N	307.350	1.826	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COC)C2	1800069684	JQYPYQJOHHDAPG-WRWGMCAJSA-N	302.802	1.288	50	20	DDGD	
CC[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(Cl)Cl	1802342819	RLQBNQUKDQZBEH-UTINFBMNSA-N	323.220	1.199	50	20	DDGD	
CC(C)(C)O[C@@H]1CS(=O)(=O)C[C@H]1I	158049986	BVBMEOFHWSHQIQ-RNFRBKRXSA-N	318.176	1.402	50	20	DDGD	
COCCN(CC(C)C)NC(=O)c1cnn([C@H]2CCCNC2)c1	1579026607	UCTWBLQSRYEKGZ-HNNXBMFYSA-N	323.441	1.057	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)C2(N)Cc3ccccc3C2)c1	1579832703	RZIMGLXKWAVGHD-UHFFFAOYSA-N	315.398	1.314	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@H]3CCN[C@@H]3C)cc2C1	1576759545	XQFAXKCMUCIIQC-FOGDFJRCSA-N	321.446	1.632	50	20	DDGD	
C[C@]1(C(=O)NNc2c(Cl)cc(F)cc2Cl)CNCCO1	1576349945	KOOGIXQQWIDVQO-GFCCVEGCSA-N	322.167	1.954	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@H]1CCCN1C1CCCC1	1574820095	GWOKGVVCPZDHTB-CYBMUJFWSA-N	318.377	1.630	50	20	DDGD	
COCC[C@@H](N)C(=O)NNc1ccc(OC(F)(F)F)cc1	1573978252	QGIQOJTZQHWUSX-SNVBAGLBSA-N	307.272	1.392	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)[C@H]2CCCCO2)C1	1841103316	FJRDUAYEKBDURL-GHMZBOCLSA-N	318.776	1.293	50	20	DDGD	
CCC(CC)(C(=O)O)C(=O)NNC(=O)NCc1ccccc1	1589475661	FSFXVPUDWNIISB-UHFFFAOYSA-N	307.350	1.408	50	20	DDGD	
O=C(NNc1cc(Cl)nc(Cl)c1)[C@@H]1C[C@]12CCNC2	1580736879	AVDNSULOZXMBKH-UFBFGSQYSA-N	301.177	1.831	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CC	1847489071	OBXIFBRQZCOVFM-MROQNXINSA-N	316.829	1.367	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H](C)S)C2	1841670532	HNPZYPNHODGGBN-QWRGUYRKSA-N	318.870	1.916	50	20	DDGD	
O=C(NCc1cccc(C(=O)O)c1)NNc1ncc(Cl)cn1	1594771601	IKUIVPPZUOMYNG-UHFFFAOYSA-N	321.724	1.655	50	20	DDGD	
O=C(NNC(=O)[C@H](C(=O)O)C1CCCC1)c1ccccc1F	1594779619	VDQMGECGBMJCHR-GFCCVEGCSA-N	308.309	1.478	50	20	DDGD	
C[C@@]1(CNC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)C[C@H]1Br	1594017174	MNWQYZIJMQJMFP-BLHGMNIDSA-N	317.183	1.132	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2cc(C(=O)O)cn2C)cc1	1776023708	NSUOVJZOHFGXJT-UHFFFAOYSA-N	315.329	1.561	50	20	DDGD	
CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@](C)(Cl)CCl)C2)C1	1781228687	ZAFUZTCRHPMDES-STQMWFEESA-N	323.220	1.073	50	20	DDGD	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)OC(C)(C)C	17398420	PYAODRRTORTANB-SNVBAGLBSA-N	305.334	1.881	50	20	DDGD	
C[C@@H]1NC(C(=O)NNc2ccccc2)=NN(c2ccccc2)C1=O	151334783	YWGKSBFHVMAUAB-LBPRGKRZSA-N	323.356	1.468	50	20	DDGD	
CN1CCO[C@H](C(=O)NNc2ccccc2Br)C1	153475646	DHAHCAXOCASGCV-NSHDSACASA-N	314.183	1.223	50	20	DDGD	
CCc1ncsc1C(=O)NNC(=O)c1ccc(Cl)nc1	156338332	FUAACXFPKXQRMA-UHFFFAOYSA-N	310.766	1.829	50	20	DDGD	
COc1ccc(OC)c(C(=O)NNC(=O)c2ccccn2)c1	7475490	PUGUQLIJWPGACG-UHFFFAOYSA-N	301.302	1.174	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(Cl)cc2F)n1	7961722	ARGCTWDTCQEMDP-UHFFFAOYSA-N	324.743	1.754	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cccc(F)c2F)cc1	102343470	XUWSCNPPZJZEEW-UHFFFAOYSA-N	301.252	1.911	50	20	DDGD	
O=C(Cn1cccn1)NNC(=O)CC12CC3CC(CC(C3)C1)C2	57983816	PSUSETLWLMXDPF-UHFFFAOYSA-N	316.405	1.637	50	20	DDGD	
COc1ccc(CN(C)[C@H](C)C(=O)NNC(=O)CC(C)C)cc1	109825060	XGLMBQMCHNDEMC-CYBMUJFWSA-N	321.421	1.709	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2CCCOC2)c1C	171024924	BLXLDEHGVLEJLH-ZIAGYGMSSA-N	320.389	1.645	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCc1ccc([N+](=O)[O-])cc1	171464914	KIZPSCFATVRKJE-UHFFFAOYSA-N	322.365	1.904	50	20	DDGD	
CSC[C@@H](C)C(=O)NNC(=O)c1cccc2ncccc12	66839044	OOSSTCGTOKANOO-SNVBAGLBSA-N	303.387	1.995	50	20	DDGD	
CCOC(=O)NNC(=O)Cc1cc(OC)c(OC)c(OC)c1	21771398	ZDRZJZUGRKYKRC-UHFFFAOYSA-N	312.322	1.032	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccncc1	178843288	ZVQPWCCIKMOFCI-UHFFFAOYSA-N	320.692	1.718	50	20	DDGD	
Cc1ncccc1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	170976057	MPWLSCFVBVJSTO-NSHDSACASA-N	317.320	1.758	50	20	DDGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCC(NC(N)=O)CC1	175759271	LSDWQTOJRQLHPN-LHHJGKSTSA-N	315.333	1.592	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cccc(Cl)c1)N1CCCC1=O	174922140	NJSAUXJLROLCAZ-GFCCVEGCSA-N	323.780	1.502	50	20	DDGD	
CCC(=O)N1CCC(=NNC(=O)Cn2nc(C)cc2C)CC1	64306375	QVRDETCXCSFYKW-UHFFFAOYSA-N	305.382	1.005	50	20	DDGD	
O=C(NNc1ccc(F)cc1)[C@@H]1COCCN1C1CCCC1	188544141	QNVXRKRPKDMPIE-HNNXBMFYSA-N	307.369	1.912	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2CCCC[C@H]2C)n1	70739529	NZQPMSNEOZCOHM-LLVKDONJSA-N	310.423	1.016	50	20	DDGD	
COc1cccc(NNC(=O)CCc2c(C)nn(C)c2C)n1	180699874	BOOKCDBWAOPVIT-UHFFFAOYSA-N	303.366	1.516	50	20	DDGD	
COc1ccc(NNC(=O)CNc2ccccc2OC)nc1	187482539	IHQGTTGCVPQDDV-UHFFFAOYSA-N	302.334	1.654	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](C(C)C)N(C)C)c([N+](=O)[O-])c1	122639772	CHGCHFWOGUZDPK-ZDUSSCGKSA-N	310.354	1.633	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H](C)C2CCC2)cc1	128023680	QFJGCXQIIPFEFJ-GFCCVEGCSA-N	305.378	1.893	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)c2ccccc2)cc1F	32585810	LDLFXPAGPKHIJU-UHFFFAOYSA-N	324.333	1.458	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cc(C3CC3)[nH]n2)cc1	76949468	NFZQVISCROVHQM-UHFFFAOYSA-N	313.361	1.469	50	20	DDGD	
COCC(=O)NC1CCN(C(=O)c2cccc(CCl)c2)CC1	314567179	CELDSIHXJUZJRR-UHFFFAOYSA-N	324.808	1.793	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2c[nH]nc2C2CC2)cc1	187030989	CHXGGULPHWDBLV-UHFFFAOYSA-N	313.361	1.469	50	20	DDGD	
COc1cc(C(=O)NNc2nc(-c3ccccc3)no2)on1	125115613	GCPDHORXIZUQEA-UHFFFAOYSA-N	301.262	1.490	50	20	DDGD	
CC1CCC(N2C[C@@H](C(=O)NNc3cccnn3)CC2=O)CC1	77034515	XYYWSVNGRNHBAO-CPCZMJQVSA-N	317.393	1.347	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccc(C#N)cc1)C1CCOCC1	134707719	RFDCNXUSXXWJIN-LLVKDONJSA-N	316.361	1.317	50	20	DDGD	
Cc1ccc(S(N)(=O)=O)cc1C(=O)NNc1ccc(F)cc1	42065525	BXSDBZRCGLJKEA-UHFFFAOYSA-N	323.349	1.538	50	20	DDGD	
CN(C)Cc1cccc(CNC(=O)NNc2ncccn2)c1	46926636	FMJFGCQWXOGKCC-UHFFFAOYSA-N	300.366	1.365	50	20	DDGD	
CN(C)c1cccc(C(=O)NNc2nc3ccccc3c(=O)[nH]2)c1	137207681	MBTHIRAIYUQNJU-UHFFFAOYSA-N	323.356	1.746	50	20	DDGD	
O=C(NC[C@H](c1ccco1)N1CCCC1)NNc1ncccn1	43167258	RHKCPKCBULIJLH-GFCCVEGCSA-N	316.365	1.533	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cn2cc(Cl)ccc2n1	194924865	XGPWSXGPMWPWEF-POHAHGRESA-N	304.737	1.657	50	20	DDGD	
CC(C)CN(CC(N)=O)C(=O)/C(C#N)=C/c1ccc(O)cc1	194143562	WKBWGYYIGKQSDQ-NTUHNPAUSA-N	301.346	1.269	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NNC(=O)C(C)(C)C)c(C)c1	194728649	FBKAAUYCBHHMCB-UHFFFAOYSA-N	314.407	1.749	50	20	DDGD	
C[C@H]1CCCC[C@H]1NCC(=O)NNC(=O)c1ccc(F)cc1	194668955	SITVOLDQKIZLTM-SMDDNHRTSA-N	307.369	1.755	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)/C=C\c2ccc(Cl)cc2)cn1	255013714	GHSRFYNOBPOGAX-DAXSKMNVSA-N	304.737	1.548	50	20	DDGD	
Cc1ccc2[nH]c(C(=O)NNC(=O)C(=O)NC(C)C)cc2c1C	265252447	KKLOZFOQMMMBOQ-UHFFFAOYSA-N	316.361	1.070	50	20	DDGD	
COCCn1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cn1	266268024	FXQHSIOCKBOXMA-GZTJUZNOSA-N	324.384	1.795	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	265031605	OFYUSBAUQGENMT-JHJVBQTASA-N	323.780	1.738	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N1CCN(C)CC1)c1ccccc1	278565774	HZZXVSJJXDNDTH-AWEZNQCLSA-N	304.394	1.168	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@]2(O)CCc3ccccc3C2)n1	368553771	QMSJBRVSLOZKLL-QGZVFWFLSA-N	312.373	1.457	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)C1CC1	270704392	AKCUSUWHZLHMAP-SNVBAGLBSA-N	303.145	1.584	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H](NC(=O)NNC(=O)c2ccccc2F)C1	279756643	QWBLPZNICPQTCQ-VHSXEESVSA-N	323.324	1.111	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1	270549443	ASBCZQMNRIGWIS-YLSINNKHSA-N	323.393	1.946	50	20	DDGD	
C[C@H](CO)CCCNC(=O)NNC(=O)CCCc1ccccc1	270576983	WIMRRXHMOYCXDG-AWEZNQCLSA-N	321.421	1.748	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)C(C)(C)C)cc1F	271344216	GQUAEASENXAXKG-UHFFFAOYSA-N	311.313	1.811	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H](C)OC[C@@H]1CCCO1	288613821	IWCZFVVVQBBIJJ-YPMHNXCESA-N	323.349	1.930	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](NC(=O)c1ccc(C)cc1)C(C)C	286496013	WERNQERUFQJRRY-CYBMUJFWSA-N	321.377	1.479	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCC[C@H]2[C@@H]2CCCO2)n1	284177644	KWSMDWBXDSARQK-KBPBESRZSA-N	318.377	1.388	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C(C)(C)CSC)c1O	282082691	FWGZOVZZVQZVRB-UHFFFAOYSA-N	312.391	1.551	50	20	DDGD	
CO[C@H](C(=O)NNC(=S)Nc1ccc(N(C)C)cc1)C1CC1	280676187	BZPASTAPKVYUSY-ZDUSSCGKSA-N	322.434	1.495	50	20	DDGD	
O=C(CCn1ccnn1)NNC(=O)C12CC3CC(CC(C3)C1)C2	298182558	FIGHUZPUNDNSTC-UHFFFAOYSA-N	317.393	1.032	50	20	DDGD	
C[C@@H]1CN(CCOC(=O)/C(C#N)=C\c2ccccc2)CCO1	800216917	HTTASEQWZHBTKP-VQCBNXJZSA-N	300.358	1.857	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(C)(F)F	295304078	KCQKWSUUAMTZRI-ZETCQYMHSA-N	306.696	1.910	50	20	DDGD	
CC(Cl)(Cl)C(=O)NNc1ccc(-n2ccnc2)nn1	804952782	SRGOOLFYLPUYBI-UHFFFAOYSA-N	301.137	1.299	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802101763	SZXJQTKWKJMFET-UHFFFAOYSA-N	309.322	1.241	50	20	DDGD	
O=C(NCc1ccc(F)cc1F)NNC(=O)[C@H]1CCCCO1	296273870	HYNWHOTXJLWUFF-GFCCVEGCSA-N	313.304	1.364	50	20	DDGD	
O=C(NCC1CCN(C2CC2)CC1)NNc1ncccc1F	805367241	COKMGDNTNNGVQE-UHFFFAOYSA-N	307.373	1.721	50	20	DDGD	
COCCN(C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21	297013671	HRCKKAJMMJQBEU-UHFFFAOYSA-N	306.322	1.159	50	20	DDGD	
O=C(CCc1ccccc1O)NNS(=O)(=O)CCCCF	295690660	DHUHQSVIBUARDV-UHFFFAOYSA-N	318.370	1.025	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802100891	BOOVQHZAKLHDRS-JTQLQIEISA-N	309.322	1.383	50	20	DDGD	
N#C[C@]1(C(=O)NNc2cc(Cl)nc(N)n2)CC12CCCC2	295108918	VCDCSTCIQYYIRP-ZDUSSCGKSA-N	306.757	1.629	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNc1nccnc1C1CCC1	290924882	OFUDHEBQBYVCPJ-SNVBAGLBSA-N	306.366	1.777	50	20	DDGD	
CSCc1ccc(CNC(=O)NNC(=O)[C@@H]2CCCO2)cc1	292135790	YGUGTGSEUKYJSD-ZDUSSCGKSA-N	323.418	1.559	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NN=Cc2cn(C)nc2O)c1C	814215763	VIXKYLPMVZVURU-LBPRGKRZSA-N	316.361	1.660	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@]1(C)CC1(F)F	817513008	NBFHNINLNLQNHA-CYBMUJFWSA-N	308.288	1.449	50	20	DDGD	
COCCOc1ccccc1C=NNC(=O)Cc1cc[nH]n1	814957250	DEUIOXXMPBEYDS-UHFFFAOYSA-N	302.334	1.128	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=Cc1cccnc1Cl	814873988	ZEAMDTUACQFNSI-UHFFFAOYSA-N	317.736	1.010	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)c2cccc(C#N)c2)n1C	814836181	JIIXWSULZJPPJI-UHFFFAOYSA-N	310.313	1.447	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CC2CCC1CC2	814315362	WBPBCYAJXUHJSS-GCZXYKMCSA-N	309.410	1.265	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cncnc2-c2ccccc2)n[nH]1	810585007	YVBBMFKSWKMLAT-UHFFFAOYSA-N	322.328	1.250	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H]2CCCN2C2CC2)ccc1C	816687167	PXRRWPLCCLVDRH-OAHLLOKOSA-N	317.389	1.852	50	20	DDGD	
COCCN(C)NC(=O)c1cc(C(F)(F)F)cc(Cl)n1	816562283	FVXFDXDERQWDRC-UHFFFAOYSA-N	311.691	1.977	50	20	DDGD	
Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NNC(=O)CC(F)(F)F	817711028	VMXWAVWZHZNPEO-UHFFFAOYSA-N	319.239	1.925	50	20	DDGD	
CCOc1ccccc1CNC(=O)NNc1ncncc1F	814285339	SDRINEUPDACMES-UHFFFAOYSA-N	305.313	1.841	50	20	DDGD	
Cn1c(C=NNC(=O)COc2ccccc2O)nc2ccccc21	814952333	VKGSREFHNHHSMA-UHFFFAOYSA-N	324.340	1.808	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H]1CCCN(c2ccccc2)C1=O	814632224	CNHWKPWLROROQI-ZDUSSCGKSA-N	318.377	1.170	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)c1cn(C)c2ccccc12	812453132	QNAQOTXLDLNGPI-NEPJUHHUSA-N	317.389	1.858	50	20	DDGD	
C=C[C@H](C)NC(=O)/C(C#N)=C/c1cc(-c2nn[nH]n2)n(C)c1C	819729238	FSUSJIYRVLQADJ-DAVUEJTQSA-N	311.349	1.111	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccc[nH]1	826445596	AQKOLERKNDWSTF-UHFFFAOYSA-N	304.701	1.000	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@@H](N(C)C)[C@@H]1C	820503572	KKPKNUKUODIXIH-WCQYABFASA-N	312.845	1.903	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)C	496938987	CCPXOGWECXDDBM-JTQLQIEISA-N	301.387	1.341	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2	492786683	ARKCCDZWXGRZLM-VIFPVBQESA-N	313.354	1.021	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@@]2(C#N)CC23CCCC3)c1	823099947	MJGZZWNIMYCPMJ-KRWDZBQOSA-N	308.341	1.793	50	20	DDGD	
CCCCNC(=O)NNC(=O)C(C)(C)Oc1ccc(OC)cc1	823762745	IXUIQLKTXNLOLA-UHFFFAOYSA-N	323.393	1.983	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@]1(C(=O)OC(C)(C)C)CC=CCC1	823912334	CHJIADPUUTVWHS-WBMJQRKESA-N	312.410	1.398	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC1CCN(c2cccnn2)CC1	491158406	FIUWSAFFBISMIE-QXMHVHEDSA-N	301.350	1.006	50	20	DDGD	
CCN(CCO)NC(=O)[C@H](C)Oc1ccc(C(F)(F)F)cc1	823879673	RFJZMYIPXGHLEQ-JTQLQIEISA-N	320.311	1.818	50	20	DDGD	
CCS(=O)(=O)Nc1ccc(C(C)=NNC(=O)C(C)C)cc1	729635626	DUZLWMLOFWNVNC-UHFFFAOYSA-N	311.407	1.944	50	20	DDGD	
CCOC(=O)N1CC[C@@H](NS(=O)(=O)CCCCCl)C1	495502481	JVDOAXRAWQUOCI-SNVBAGLBSA-N	312.819	1.156	50	20	DDGD	
OB(O)[C@H]1CCN(c2ncc(Cl)cc2Br)C1	585072476	AZVYBYDYZUNEKI-LURJTMIESA-N	305.368	1.551	50	20	DDGD	
CN(Cc1ccccc1)Cc1cccc(C(=O)NCB(O)O)c1	585061378	RCUASZULVCNVOW-UHFFFAOYSA-N	312.178	1.060	50	20	DDGD	
Cc1cccc(C(=O)NN(C)[C@H](C)CO)c1Br	823939576	MCASAXILEHKBOA-SECBINFHSA-N	301.184	1.715	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)/C=C\c2ccc(Cl)nc2)n1	491981076	HFMVUINSRXRMOZ-VURMDHGXSA-N	316.748	1.913	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1C[C@@H](C)CN(C)c2ccccc21	828345035	MAGYRZLNTSSLDU-ZDUSSCGKSA-N	318.421	1.382	50	20	DDGD	
CCOC(=O)N[C@H](C(=O)NNc1cc(C)nc(C)n1)C(C)C	491466435	VZHJEEKGLFQMEZ-LBPRGKRZSA-N	309.370	1.307	50	20	DDGD	
CCCONC(=O)NNC(=O)NCc1ccc(Cl)cc1	828273312	UNMKKMFCFWAWNT-UHFFFAOYSA-N	300.746	1.695	50	20	DDGD	
CCC(CC)N1C[C@@H](C(=O)NNC(=O)OC(C)(C)C)CC1=O	491189954	GMTNBQYRNHLZEP-JTQLQIEISA-N	313.398	1.579	50	20	DDGD	
COC1CCC(N(C)[C@H](C)C(=O)NNC(=O)CC(C)C)CC1	734486202	CUUSWPJTCUXLQL-IYXRBSQSSA-N	313.442	1.458	50	20	DDGD	
CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCOC1	735449173	XBLGIYJKAPJJIA-GFCCVEGCSA-N	300.322	1.009	50	20	DDGD	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CC[C@H](B(O)O)C1	585069162	LXWMSMAWBCZLBI-BARDWOONSA-N	311.231	1.539	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)NNC(=O)C(C)(C)C	496448664	DWPJXKXAZMPHFC-ZJUUUORDSA-N	315.414	1.729	50	20	DDGD	
O=C(O)NCCC(=O)NNC(=O)Cc1ccc2ccccc2c1	739938185	OCMHZNZMQICNDF-UHFFFAOYSA-N	315.329	1.187	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21)c1cccc2ccccc12	906790934	QSNDERJTAPTQLE-VNQPRFMTSA-N	308.337	1.826	50	20	DDGD	
C[C@]1(C(=O)Nc2nc(CC(N)=O)cs2)C[C@@H]1Br	906362536	IIPVLGDTHBNPAK-WKEGUHRASA-N	318.196	1.283	50	20	DDGD	
C[C@@]1(C(=O)N2CCN(c3ncc[nH]3)CC2)C[C@H]1Br	907762298	AGNOVLVZYHJKNZ-BXKDBHETSA-N	313.199	1.232	50	20	DDGD	
Cn1c(NNC(=O)[C@]2(C)CCCCO2)nc2ccccc2c1=O	837420596	WPGMDXYPVRKQTA-INIZCTEOSA-N	316.361	1.336	50	20	DDGD	
CC/C=C\CNC(=O)NNC(=O)Cc1cn2ccccc2n1	836574410	XTPSBMCCGCGPBR-HYXAFXHYSA-N	301.350	1.173	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)CCS(=O)(=O)N(C)C	836933739	OKPYAOQJGRZGAV-UHFFFAOYSA-N	319.814	1.373	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)CCCc2ccccc2)n1C	900543761	QLVBWQGNUBYQQW-UHFFFAOYSA-N	300.362	1.512	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C(=O)c1ccc(Cl)cc1	732084423	GLIQHNKYBYIZBK-UHFFFAOYSA-N	306.709	1.015	50	20	DDGD	
O=C(NNC(=O)C1CCC1)NC1CCN(CC2CCCC2)CC1	732243785	UCJVBUFTHXCNDG-UHFFFAOYSA-N	322.453	1.772	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2cccc(F)c2)[C@@H]2CCCC[C@H]2N1	830771763	RAQUCMMSDDXLMN-MELADBBJSA-N	305.353	1.964	50	20	DDGD	
CC1(CNC(=O)NNC(=O)N=c2cc[nH]cc2)CCCCC1	836359313	WEGTWVLZMBRNOW-UHFFFAOYSA-N	305.382	1.810	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1CC[C@@H](c2cccc(F)c2)C1	585038485	AQZBOLIJAVJMOG-RHSMWYFYSA-N	313.181	1.931	50	20	DDGD	
O=C(NCCC1CC(F)(F)C1)NNc1nc2ccccn2n1	838734902	JOUSUFBNVDDSSJ-UHFFFAOYSA-N	310.308	1.791	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1	833118627	LYNWZIKOTZXUHU-VXGBXAGGSA-N	322.336	1.407	50	20	DDGD	
C[C@]1(C(=O)NC[C@H]2CCCS(=O)(=O)C2)C[C@H]1Br	908208030	WNAKKXYGHXRSCK-KKZNHRDASA-N	324.240	1.101	50	20	DDGD	
C[C@@H](NCc1ccccc1B(O)O)[C@@H](c1ccccc1)N(C)C	585037217	WNGOKTLIIDHTCA-KDOFPFPSSA-N	312.222	1.147	50	20	DDGD	
O=C(COCc1ccccc1)NN[C@@H](C(=O)O)c1cccnc1	833114934	YIMUBZPPNLIBQP-OAHLLOKOSA-N	315.329	1.045	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)[C@H]1CCCCO1)c1ccccc1	836247989	JFALBSCWWSHYCT-ZIAGYGMSSA-N	321.377	1.274	50	20	DDGD	
C=C(C)COc1cc(C=NNC(=O)NCC(=O)O)ccc1OC	833369443	YOONGAYIDUTEIH-UHFFFAOYSA-N	321.333	1.368	50	20	DDGD	
CN(C)CC1CCN(C(=O)[C@@]2(C)C[C@H]2Br)CC1	906673002	ANJRSFOPCBONHR-YPMHNXCESA-N	303.244	1.960	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)[C@@H]2CCCCO2)[C@@H](n2cncn2)C1	834987461	XPKXACCTUQTPJX-XBFCOCLRSA-N	305.382	1.681	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)c1F	836528807	SRZDNVIQJASKQZ-NSHDSACASA-N	311.313	1.556	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1nnc2ccccc2c1O	732275526	ZVLXVENLIBOLPX-UHFFFAOYSA-N	314.223	1.049	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCCCO1	837306112	WYXWTRUXAIIPIE-CQSZACIVSA-N	307.306	1.315	50	20	DDGD	
O=C(NNC(=O)N1C[C@@]2(CCCO2)[C@@H]1C1CC1)C1CCCC1	836425515	BOTJRCFPCWTSKC-BBRMVZONSA-N	307.394	1.561	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)C2CC2)cc(OC)c1Cl	839167003	VLUATZQWDWPYFN-UHFFFAOYSA-N	313.741	1.920	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccn(CCc2ccccc2)n1	910144548	KJWDQGJEYDDUDV-CYBMUJFWSA-N	302.378	1.083	50	20	DDGD	
N#Cc1cccc(NNC(=O)Cc2nnc(O)c3ccccc23)c1	748044777	ZHRZPLZZEJBVPR-UHFFFAOYSA-N	319.324	1.893	50	20	DDGD	
CC(=O)Nc1cccc(NC(=S)NNC(=O)c2ccc[nH]2)c1	913146835	QZJZCFLZXLSXGN-UHFFFAOYSA-N	317.374	1.605	50	20	DDGD	
CC(=O)N[C@H](C(C)=NNC(=O)C(F)F)c1ccccc1F	841631797	LDNNBPPFRTYIHG-LLVKDONJSA-N	301.268	1.760	50	20	DDGD	
CC(=NNC(=O)CSc1nc(C)cc(C)n1)c1ccn(C)n1	841602199	BNVRDQPMLGBXHF-UHFFFAOYSA-N	318.406	1.459	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)N[C@H](CO)CCF	846709893	WVWXUFWFPGCOLE-ZDUSSCGKSA-N	311.357	1.060	50	20	DDGD	
CCn1nc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)c2ccccc21	842561352	KGOPPUJKKGZPPA-VXGBXAGGSA-N	300.362	1.931	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CC(C)(C)c1ccccc1	843650078	ZJJOHNXFRVPLDJ-TZMCWYRMSA-N	304.390	1.927	50	20	DDGD	
COc1ccc([C@H](C)NC(=O)NNC(=O)c2ccc[nH]2)cc1	746961615	ALEGVORMKSWAQM-JTQLQIEISA-N	302.334	1.729	50	20	DDGD	
Cn1nc(C(=O)NNc2cccc(F)c2)c2ccccc2c1=O	748089285	AOFISWSAMSGSBH-UHFFFAOYSA-N	312.304	1.830	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CC(N2CC[C@@H](O)C2)C1	843996279	AVVMBCZPWBDYBQ-VXXVJXPCSA-N	315.348	1.010	50	20	DDGD	
Cn1nnc2c1CC[C@@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)C2	848311929	KOQUDGGCZDWBMG-YQCJOKCJSA-N	323.356	1.101	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(Cl)nc(C2CC2)c1	847099519	QYRZDNVJDKUBFW-KCJUWKMLSA-N	323.780	1.798	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843662971	UQELKFOJHLBFHE-KKOKHZNYSA-N	308.403	1.732	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@@H](C)NC(=O)NNc1ncncc1Cl	841590546	OTLLCUWDBXCDOJ-AMIZOPFISA-N	313.789	1.960	50	20	DDGD	
C=CC(=O)N(CC)CC(=O)N(C)NC(=O)OCc1ccccc1	912836198	TWMWDBLXUDTSSY-UHFFFAOYSA-N	319.361	1.321	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@@H](C)CN2C[C@H](C)O[C@H](C)C2)o1	916371043	HUMPAWMHRVQJOW-FPMFFAJLSA-N	307.394	1.783	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1c(C)nc2scc(C)n12	748258964	RGJIDZYGTYCBFT-NSHDSACASA-N	324.406	1.514	50	20	DDGD	
O=C(NNC(=O)c1cnnn1-c1ccccc1Cl)NC1CC1	748718689	QMDARBRDUMCUAM-UHFFFAOYSA-N	320.740	1.027	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1nc(C)n2ccccc12	740763529	KMFWEFSSEZMHBT-UHFFFAOYSA-N	315.377	1.398	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCN(c2ccccc2)C1	843662402	SJSYZLCLKCPSTP-YDHLFZDLSA-N	317.389	1.085	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCCOC(C)(C)C2)c1	744402776	GNOSZHVPBDMPFU-UHFFFAOYSA-N	319.405	1.257	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)[C@@H]1CCCCO1)CC(F)(F)F	840439216	FCRXMYPDQNAOPQ-BDAKNGLRSA-N	311.304	1.474	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(CCNS(C)(=O)=O)C1	852523156	WSSYIHNXVKTDJZ-GFCCVEGCSA-N	322.547	1.632	50	20	DDGD	
CC(CC1CC1)=NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1	756823539	MXZIDHSUQSTZPC-UHFFFAOYSA-N	323.418	1.843	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C	924577830	LPUIUCHXRHPLSO-YLGBQOPLSA-N	323.393	1.946	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)OCC(F)(F)F)s1	856024958	LACYHUSFZGCPQO-UHFFFAOYSA-N	310.253	1.884	50	20	DDGD	
CC(=O)N[C@@H](C)C(=O)NNc1nc2ccc(Cl)cc2s1	856234248	RDHCTTDWTYSWEO-LURJTMIESA-N	312.782	1.917	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc(NC2CC2)nc1)C1CC1	855102197	HYENZKNIHHMVOM-VIFPVBQESA-N	319.434	1.563	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H]1CCC(C)=C(C)C1	854286518	RQOPCUMKEOJZSB-CYBMUJFWSA-N	313.467	1.997	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CCCc2cccnc21	927380016	YFVNDBHWRWMEBN-KGYLQXTDSA-N	318.377	1.214	50	20	DDGD	
CCCc1ccc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)s1	857207995	OYGPTKQVVBGUHY-VIFPVBQESA-N	317.436	1.088	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2cc[nH]n2)cnn1C(CC)CC	855356401	KYIPPTBYGYOEAH-UHFFFAOYSA-N	318.381	1.605	50	20	DDGD	
CO[C@H]1COCC[C@@H]1CNC(=O)NNc1cc(F)ccc1F	922698000	WNWWVIAVOSBNAU-RNCFNFMXSA-N	315.320	1.642	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NNc1ccccc1[N+](=O)[O-]	854145191	OMCPRRQXPJGKBD-NXEZZACHSA-N	301.306	1.575	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(OCCN(CC)CC)cc1	756511904	RWYWZLPFWLXADW-UHFFFAOYSA-N	322.409	1.970	50	20	DDGD	
CCOC(=O)C1(C(=O)NC[C@@]2(C)C[C@@H]2Br)CC1	857690455	UBUVPGLIOFWDQS-GZMMTYOYSA-N	304.184	1.619	50	20	DDGD	
COC[C@@H](C)Oc1ccc(C=NNC(=O)c2cc[nH]n2)cc1	853391675	WMKYIMVFEKJJQT-LLVKDONJSA-N	302.334	1.587	50	20	DDGD	
CC[C@H](CNC(=O)NNc1cccc(C(=O)OC)c1C)OC	854082384	DHZZHUHDHSRZAT-LLVKDONJSA-N	309.366	1.833	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)CC(F)(F)F)c1ccc(Cl)cc1	855000091	BHCXRNKTWBMNHB-NSHDSACASA-N	324.686	1.647	50	20	DDGD	
C[C@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)CCc1ccccc1	759765643	BTJXHSCOXZTYAW-HIFRSBDPSA-N	319.405	1.765	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CC(C)(C)OC[C@@H]1C	753029686	DPHOVVJUHAKJSG-LBPRGKRZSA-N	305.378	1.849	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(C(F)(F)F)nn2)nn1	755183550	YIRDLSVLZCZIQU-UHFFFAOYSA-N	314.227	1.051	50	20	DDGD	
COC1(C(=O)NNC(=O)COc2ccc(C)c(C)c2)CCCC1	754156475	QWECFYFWAAWFPG-UHFFFAOYSA-N	320.389	1.789	50	20	DDGD	
COc1cc(Cl)cc(C=NNC(=O)Cc2cc(C)[nH]n2)c1O	758870254	PVFRNJVCHVUXNK-UHFFFAOYSA-N	322.752	1.779	50	20	DDGD	
Cc1n[nH]cc1CNC(=O)NC[C@@]1(C)C[C@@H]1Br	856838131	ABJBSOYQLRMXBK-GXSJLCMTSA-N	301.188	1.691	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@H]2C=NNC(=O)[C@H]2CCCO2)cn1	853348762	KZOIODGDZCWFOZ-IACUBPJLSA-N	306.366	1.169	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)c2cc3occc3s2)nn1	757391138	AYGZNBLDQZXNGA-UHFFFAOYSA-N	303.303	1.140	50	20	DDGD	
C=CC[C@H]1CCCCC1=NNC(=O)[C@H](C)NS(C)(=O)=O	853303863	RWBADVBEAFORIY-QWRGUYRKSA-N	301.412	1.163	50	20	DDGD	
C#C[C@H](CC)NC(=O)NNC(=O)CSc1ccc(C)cc1	854067601	AYAWAYDLPRHPEV-GFCCVEGCSA-N	305.403	1.829	50	20	DDGD	
COCn1ccc(C(=O)NNc2ccc(C)c(C(=O)OC)c2)n1	857263793	BZSOPJONGMTNGV-UHFFFAOYSA-N	318.333	1.339	50	20	DDGD	
Cc1oc(-c2cnn(C)c2)nc1C(=O)NNC(=O)C1CCCC1	752289880	BHDWKHXUZULWJV-UHFFFAOYSA-N	317.349	1.335	50	20	DDGD	
CC(=O)N[C@@H](CCC(C)C)C(=O)NNc1nccnc1Cl	857127976	YMUUUQGZBILRJI-JTQLQIEISA-N	313.789	1.514	50	20	DDGD	
C[C@@H](CN(C)C(=O)NNC(=O)c1ncccn1)C1CCCCC1	858545522	FXFJLJMWRPQQPC-LBPRGKRZSA-N	319.409	1.979	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccc3c(c2)ncn3C)n1	753804984	GEGMBQVILXFUJK-UHFFFAOYSA-N	311.349	1.186	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC(F)(F)C[C@H]1C	859837186	BMDPKCTXODJWLS-GHMZBOCLSA-N	305.369	1.688	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)c2ccc(Cl)nc2)[C@@H]1C	858556812	CUHDAFXJLBQPOA-SREGZZRCSA-N	311.769	1.556	50	20	DDGD	
NC(=O)c1ccc(F)c(NC(=O)NNC(=O)CC(F)(F)F)c1	756067768	VHDCKCHQSWTPJW-UHFFFAOYSA-N	322.218	1.030	50	20	DDGD	
Cn1cnc2cccc(C(=O)NNC(=O)CC(F)(F)F)c21	855001057	STYKTKCSFYRLQS-UHFFFAOYSA-N	300.240	1.287	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CS(C)(=O)=O)C1CCC(C)CC1	863464703	MEALZXLTTROYCO-MCIGGMRASA-N	318.439	1.031	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H](C)OCc2ccc(F)cc2)cc[nH]1	862513830	LRQVAEOYPGPVNW-LBPRGKRZSA-N	303.337	1.999	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(NC(C)=O)c(F)c2)n1	765492593	GAZXZWXGMFFIRS-UHFFFAOYSA-N	318.308	1.945	50	20	DDGD	
CC(C)COc1ccc(CC(=O)NNC(=O)c2cn[nH]c2)cc1	862472297	WZRQPUDVJIKIRO-UHFFFAOYSA-N	316.361	1.448	50	20	DDGD	
CCc1c(NC(=O)c2cccc(B(O)O)c2)cnn1CC(C)C	866995126	ARACPTLCRJEYHX-UHFFFAOYSA-N	315.182	1.034	50	20	DDGD	
C[C@@H](NNC(=O)c1cc(-c2ccccn2)no1)C(F)(F)F	862310816	GRFDCKYMZYTNJD-SSDOTTSWSA-N	300.240	1.922	50	20	DDGD	
Cc1nc2c(cc1C(=O)NN[C@@H](C)C(F)(F)F)c(C)nn2C	862308079	XGATXFJUXQREHW-QMMMGPOBSA-N	315.299	1.770	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)COC(=O)CC1CC1	767279912	BZJAEGZDCOVLFC-UHFFFAOYSA-N	304.346	1.028	50	20	DDGD	
CCCN(CCc1cccs1)CC(=O)NNC(=O)C1CC1	766939758	QMKKCTQACAGAJT-UHFFFAOYSA-N	309.435	1.560	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(C(=O)OC)cn2)c(C)nn1	760018912	JUSRNVHOCXJPNY-UHFFFAOYSA-N	315.333	1.286	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1ccccc1N(C)C	769576248	VLGHUFAOWFJEJL-UHFFFAOYSA-N	302.378	1.215	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NNc1cc(C)ncn1	863875156	MUTXRCDABHOESH-LLVKDONJSA-N	323.397	1.874	50	20	DDGD	
CCN(CC)C(=O)CNC(=O)[C@@H](Br)C(C)(C)C	767319064	COTWTEXRMJHNBZ-SNVBAGLBSA-N	307.232	1.781	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)c1C	861806364	CDINQKOUOOTFEK-UHFFFAOYSA-N	323.349	1.498	50	20	DDGD	
O=C(NNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCC1	1116756131	GHGNRHUWDFQEQI-UHFFFAOYSA-N	318.333	1.841	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cnn2ncccc12)c1ccccc1	765319433	TYIFEODHAPDHAB-UHFFFAOYSA-N	323.356	1.468	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)/C=C/c1ccc(C=O)cc1	869067480	BARNIFQRXZQHBK-MEQIJJHFSA-N	302.330	1.085	50	20	DDGD	
CNc1ccc([N+](=O)[O-])cc1C(=O)NNc1nccnc1Cl	1116075092	XSDFPBWXJFUCRB-UHFFFAOYSA-N	322.712	1.837	50	20	DDGD	
C[C@@H]1C[C@H](CNC(=O)NNc2nncc(N)c2Cl)CCO1	1116452605	UGQVKZRRSPVGJE-HTQZYQBOSA-N	314.777	1.153	50	20	DDGD	
COc1cc(C)ccc1CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	1118123857	RFKUECBIIWCZCI-WCQYABFASA-N	321.377	1.259	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)[C@@H](CC)c2ccccc2)n(C)n1	874454468	CBQCLJBHVXKHOZ-AWEZNQCLSA-N	314.389	1.937	50	20	DDGD	
CC(C)(C)OC(=O)NCCOCC(=O)NNc1ccccn1	777473809	PIBOTKBAHXDWDX-UHFFFAOYSA-N	310.354	1.066	50	20	DDGD	
CC(F)(F)C1(C(=O)NNC(=O)COc2ccc(C#N)cc2)CC1	1118544610	CKPYPBFXKZEJQE-UHFFFAOYSA-N	323.299	1.520	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1	772558940	JCQYDRMOSXQQBT-LBPRGKRZSA-N	324.425	1.297	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)C(C)(C)C)c1ccccc1OC	775075378	HTVWQHIASLRMSL-ZDUSSCGKSA-N	321.421	1.929	50	20	DDGD	
COCCC[C@H](C)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	777957284	FAUNEFADFFWSIX-LBPRGKRZSA-N	317.389	1.921	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CC23CCC3)cc1C	876425625	CSZBTCLDVGCTCJ-CQSZACIVSA-N	317.389	1.955	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN(C)c2ccsc2)n1	878830629	YHGLKNKUNHZJBL-UHFFFAOYSA-N	324.431	1.339	50	20	DDGD	
Cc1nc(O)nc(O)c1CCC(=O)NNc1cc(Cl)ccn1	778449715	AIDQHOTUGIVAIM-UHFFFAOYSA-N	323.740	1.321	50	20	DDGD	
COC1CC(C(=O)NNC(=O)c2nc3ccccc3s2)C1	874914230	OZSKCXLLHZNQOX-UHFFFAOYSA-N	305.359	1.482	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=Cc1ccc(F)nc1	777433366	BNLUPIKMENPFJC-UHFFFAOYSA-N	306.322	1.162	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NO[C@@H]1CCCCO1	776225690	DXKVDZUKVYAPTL-GFCCVEGCSA-N	309.322	1.097	50	20	DDGD	
C[C@H](C(=O)NNc1cc(F)ccc1F)n1nnnc1C(C)(C)C	885142546	FFYCKTKOGPJZRQ-MRVPVSSYSA-N	324.335	1.953	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(C(F)(F)F)ccn1	880403157	BERKFTZZQRYQDW-IONNQARKSA-N	317.267	1.286	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2ccc(F)cc2)cc1O	785273700	TYFGOILJPMMTCF-UHFFFAOYSA-N	318.304	1.680	50	20	DDGD	
Cc1ccccc1C[C@@H](C)C(=O)NNC(=O)C1CCOCC1	883072458	MWTVZQQCKIGOST-CYBMUJFWSA-N	304.390	1.748	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1ccc(O)nc1	789912913	YALMYSLUEFAUFJ-UHFFFAOYSA-N	321.720	1.524	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCC(=O)NCc1ccc(F)cc1	786678421	DAYWSROCMUUUPO-NTUHNPAUSA-N	302.305	1.845	50	20	DDGD	
Cc1c(C(F)(F)F)n[nH]c1C(=O)NNC(=O)NCC1CC1	1120682176	UIRYOARSURNOQT-UHFFFAOYSA-N	305.260	1.091	50	20	DDGD	
CC(C)OC(=O)C1CCN(C(=O)NNC(=O)C(C)(C)C)CC1	884138783	ZEGXZWNFMWEMIU-UHFFFAOYSA-N	313.398	1.437	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ncncc2Cl)cc1	781824923	UYEBAXXMWNLXEP-UHFFFAOYSA-N	306.709	1.674	50	20	DDGD	
C[C@]1(CNC(=O)NCC[C@H](O)C2CC2)C[C@H]1Br	895924204	TYHVXCAELLNVSU-HOSYDEDBSA-N	305.216	1.620	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cc2ccccc2oc1=O	781805788	SFMRIFVCINXEQG-UHFFFAOYSA-N	316.704	1.993	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2cccc3c2OCO3)n1	797643480	UTLJVERKLSYOKR-UHFFFAOYSA-N	314.301	1.585	50	20	DDGD	
Cc1nn(C)c(C=NNC(=O)c2cccn2C)c1Br	790291460	VUYBPJMNPSYAOL-UHFFFAOYSA-N	324.182	1.593	50	20	DDGD	
Cc1cccnc1NNC(=O)Cc1ccc([S@@](C)=O)cc1	798001777	RDLLJZJPGQNHOH-OAQYLSRUSA-N	303.387	1.813	50	20	DDGD	
CNC(=O)CC[C@@H]1CCCCN1S(=O)(=O)CCCCCl	796192572	BKCKUWFYZNGONN-LBPRGKRZSA-N	324.874	1.716	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53)C1CCCC1	793029543	VKCAJAQDVMPXJE-HAJSXZOYSA-N	300.402	1.718	50	20	DDGD	
O=C(NNC(=O)[C@H]1Cc2ccc(F)cc21)c1ccc(Cl)nc1	793087938	KMSSTHXWZBMGMZ-LBPRGKRZSA-N	319.723	1.975	50	20	DDGD	
O=C(CCc1cnccn1)NNC(=O)c1c[nH]c2ccccc12	792841600	BUDGXKDXNRQYDX-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCc2cc(Cl)ccc21	796282516	NUCSZGUXJNZFTD-UHFFFAOYSA-N	309.797	1.896	50	20	DDGD	
CON(CC(=O)NNC(=O)c1ccc(C#N)cc1)CC(C)(C)C	796476640	JFYCRDLQFXGSGR-UHFFFAOYSA-N	318.377	1.229	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1c(F)ccc(O)c1O	790070803	HCYDTCFFEISAEM-UHFFFAOYSA-N	307.237	1.902	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NN=C1CC(=O)N2CCCC[C@@H]12	799480529	YPTUFDULCSBWMR-INIZCTEOSA-N	324.384	1.898	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNC(=O)c1nnc(O)c2ccccc12	794613326	MMXJJGBTVXLQJF-OAHLLOKOSA-N	313.317	1.036	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)c2ccc(C#N)cc2)on1	792996840	VYIGQFCMNROXRS-UHFFFAOYSA-N	312.285	1.487	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCOc3c(F)ccc(F)c32)CC1	790176867	VYMXBUNKWYBHDD-UHFFFAOYSA-N	324.331	1.408	50	20	DDGD	
Cc1nc(CSCC(=O)NNC(=S)NC(C)C)cs1	1317721958	PBVWNKWZWZHJFI-UHFFFAOYSA-N	318.493	1.588	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2ccc(C(C)(C)C)nn2)c1[N+](=O)[O-]	1318939481	VNXIKZLBKQURQA-UHFFFAOYSA-N	319.325	1.471	50	20	DDGD	
CCN(C(C)=O)c1nc(/C=C(\C#N)C(N)=C(C#N)C#N)cs1	1317728799	JRFIBYBZHZKZAB-ONNFQVAWSA-N	312.358	1.683	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1n[nH]c2c1CCCC2	1317752249	QCWLRISXDMLJDU-JBLDHEPKSA-N	302.378	1.486	50	20	DDGD	
Cc1nn(-c2ccc(Cl)cc2)cc1C=NNC(=O)CCO	1320194160	XEBGSWBAXFHVEX-UHFFFAOYSA-N	306.753	1.667	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2CCCC[C@@H]2N(C)C)n1	1320047510	KONVCEIZGWMMTL-NEPJUHHUSA-N	307.398	1.589	50	20	DDGD	
C=Cc1ccc(CCNC(=O)NNC(=O)C2CCNCC2)cc1	1325680576	LKYIUCFDNKPNFB-UHFFFAOYSA-N	316.405	1.202	50	20	DDGD	
COc1ccc2c(c1)OC[C@H](C(=O)NNc1ccn(C)n1)C2	1321104510	IPVQIBOFCPKROA-LLVKDONJSA-N	302.334	1.123	50	20	DDGD	
COc1ccc2c(c1)C[C@H](C(=O)NNc1ccn(C)n1)CO2	1325428482	QADKEPZOQWVKCO-NSHDSACASA-N	302.334	1.123	50	20	DDGD	
Cn1ccc(NNC(=O)[C@@H]2[C@@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)n1	1329288257	NTXJNVJCVZWENK-FOGDFJRCSA-N	321.381	1.119	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)c1cnc(C2CC2)[nH]1	1252869350	SGDWXVYKAXPLMA-UHFFFAOYSA-N	324.344	1.318	50	20	DDGD	
CC(C)c1ccc(NNC(=O)[C@H]2CCc3nnc(O)n3C2)cc1	1335950243	URJGILXITJBLAQ-LBPRGKRZSA-N	315.377	1.813	50	20	DDGD	
C[C@@H](OC1CCCCC1)C(=O)NNC(=O)Cc1cccnc1	1251853242	FOARMSMNLGYCQQ-GFCCVEGCSA-N	305.378	1.509	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1cccc(OC(F)(F)F)c1	1330772630	BRJRAWJWHWMRAQ-UHFFFAOYSA-N	304.224	1.598	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1CN2CCN1C[C@@H]2C	1263818061	LKNSYFIXQKSWLR-ZFWWWQNUSA-N	302.422	1.389	50	20	DDGD	
Cc1cc(C)c2c(c1)CCN(C(=O)NNC(=O)c1cn[nH]c1)C2	1341292025	OAVPDEYXIJVHLH-UHFFFAOYSA-N	313.361	1.439	50	20	DDGD	
N#Cc1ccc(NNC(=O)COCC(=O)O)cc1C(F)(F)F	1601107748	HWGHMOYKUPNXAS-UHFFFAOYSA-N	317.223	1.121	50	20	DDGD	
COCCN(CC(=O)O)C(=O)/C(C#N)=C\c1ccc(F)cc1	1604583807	FJCXIRZMYCXSPW-WQLSENKSSA-N	306.293	1.292	50	20	DDGD	
Cc1cn(C)nc1NC(=O)NNc1ccc(CC(=O)O)cc1	1607900623	CPWYJETYPSGACS-UHFFFAOYSA-N	303.322	1.504	50	20	DDGD	
C[C@@H](C(=O)O)C(=O)NNC(=O)c1cc2ccccc2cc1O	1602805020	MRRVPGLAHGHVGT-MRVPVSSYSA-N	302.286	1.027	50	20	DDGD	
C#Cc1ccc(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)cc1	1602741553	NOPLJZDDJFGKES-UHFFFAOYSA-N	316.324	1.612	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(C(=O)O)c(F)c1)c1ccnn1C	1603173793	URZHVRZOIDCFAO-QMMMGPOBSA-N	306.297	1.504	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)N[C@H]1CCNC12CCC2	1608483669	VOUGPAVGKZGXKL-NSHDSACASA-N	322.340	1.435	50	20	DDGD	
O=C(O)c1cc(NNC(=O)c2cnn3ccncc23)ccc1F	1608856629	HPHPRYJRWIYRKP-UHFFFAOYSA-N	315.264	1.324	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)Nc1ccc2nccn2c1	1605821169	VCXJYYIEOMIGNX-UHFFFAOYSA-N	312.289	1.576	50	20	DDGD	
N#Cc1cccc(OCC(=O)NNc2cccc(C(=O)O)c2)c1	1601121798	VAVZRORTRRUHTP-UHFFFAOYSA-N	311.297	1.779	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@](C)(CC(=O)O)c1ccccn1	1610036370	VPFGAWQWHICOGT-AUECHBEKSA-N	303.318	1.332	50	20	DDGD	
Cc1ccccc1[C@@H](NNC(=O)c1cccc(C#N)c1)C(=O)O	1610529155	KYCAXENSEFSGSC-OAHLLOKOSA-N	309.325	1.927	50	20	DDGD	
O=C(NN=CC(F)(F)C(F)(F)F)[C@H]1CN2CCC[C@@H]2CO1	1549903603	AQCLQSWGVKULLL-HTQZYQBOSA-N	315.242	1.149	50	20	DDGD	
CO[C@@H]1CCC[C@H]1NC(=O)NNc1ccc(C(=O)O)cc1F	1610274925	FEACBNOETSEPER-VXGBXAGGSA-N	311.313	1.718	50	20	DDGD	
Cn1cc(C=NNC(=O)[C@H]2CCCO[C@@H]2c2ccccc2)nn1	1549083813	NMKZSPFMRKCBBN-LSDHHAIUSA-N	313.361	1.433	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@@H]1C=NNC(=O)[C@H]1CCO[C@@H]1C	1552762431	FUUMZWZICQXOQP-YIYPIFLZSA-N	320.393	1.508	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@]2(C(=O)O)C[C@H]2C)cc1	1574382253	LRUWPDOFNZMDDB-BMIGLBTASA-N	322.386	1.345	50	20	DDGD	
Cc1nnc(NNC(=O)N[C@H](CCCN)c2ccccc2)n1C	1579912695	KYUVQONSBRYUCV-CYBMUJFWSA-N	317.397	1.230	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C1(C(=O)O)CC=CC1)c1ccccc1	1589430604	PTTNUOPGSABNCR-CYBMUJFWSA-N	316.357	1.749	50	20	DDGD	
C[C@H](C(=O)O)C(=O)NNC(=O)c1cc2c(s1)CCCCCC2	1588573311	ATVDEFXNTMCBQY-VIFPVBQESA-N	324.402	1.889	50	20	DDGD	
CC(C)N1CCC[C@H]1C(=O)NNc1ccc(F)c(C(=O)O)c1	1591624020	HJSDJZYNWLBDKE-ZDUSSCGKSA-N	309.341	1.840	50	20	DDGD	
COc1ccc(NNC(=O)C2(CC(=O)O)CCC2)c([N+](=O)[O-])c1	1594105213	HWWIKRVXVLUGDW-UHFFFAOYSA-N	323.305	1.692	50	20	DDGD	
C[C@H](Cn1cccn1)NC(=O)NNc1ccc(C(=O)O)c(F)c1	1592926094	OAXXKEHIWACMPO-SECBINFHSA-N	321.312	1.435	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2cccc(F)c2F)O[C@H]1C(=O)O	1599876206	VXPFOOGFIXTBNO-KNBVPPQFSA-N	300.261	1.286	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1590193461	OKGJSKRBUFGYHO-YGOYTEALSA-N	302.338	1.123	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@@](CC)(C(=O)O)c1ccccc1	1596864498	SYYMAZNCPJSDLH-MLFXKNMZSA-N	316.357	1.979	50	20	DDGD	
CCc1ccccc1OCC(=O)NNc1ncccc1C(=O)O	1593642312	DWBOWGAUKFVPFO-UHFFFAOYSA-N	315.329	1.864	50	20	DDGD	
C[C@@H]1COCC[C@@H]1NC(=O)NNc1ccc(F)c(C(=O)O)c1	1594604487	QDJYAHGIIFJCPQ-PELKAZGASA-N	311.313	1.575	50	20	DDGD	
CC(=NNC(=O)c1ccc(O)nn1)[C@@H]1C[C@H](CC(=O)O)C1(C)C	1776047952	VZGFQGIZTLLTRM-ZJUUUORDSA-N	320.349	1.425	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NN=Cc1ccc(C(=O)O)cc1	1776098363	IFBXNHGZWFCTNN-ZDUSSCGKSA-N	303.362	1.708	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2cc(C)c(C(=O)O)[nH]2)c1	1776016460	HYFXLFGUAQQWDT-UHFFFAOYSA-N	315.329	1.859	50	20	DDGD	
CN(C)C(=O)NN=Cc1sc(Br)cc1C(=O)O	1776039937	XRZGBWFEWGOZHQ-UHFFFAOYSA-N	320.168	1.814	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=S)NC2CCCCC2)cc1	15874733	VUVQJLKRDBVUMH-UHFFFAOYSA-N	302.403	2.000	50	20	DDGD	
Cc1ccc(F)c(OCC(=O)NNC(=S)NC(C)(C)C)c1	161124392	CEKMESGXHDYBPL-UHFFFAOYSA-N	313.398	1.807	50	20	DDGD	
N[C@H]1CCC[C@@H](C(=O)NNc2nc(-c3ccncc3)no2)C1	167219272	HREDGYXHFICJSH-MNOVXSKESA-N	302.338	1.092	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cn2c(C)cc3ccccc32)[nH]n1	153176443	YRYSIKJKWINIIT-UHFFFAOYSA-N	311.345	1.442	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)[nH]n1	153365816	PPUBBHBVFQPOBH-DTWKUNHWSA-N	320.299	1.561	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2noc3c2CCCCC3)n1	157624827	YYPVVYZPTXQFTQ-UHFFFAOYSA-N	322.756	1.726	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CCCn2cccc2)cc1	155920897	ABVZLVLMIBLDHR-UHFFFAOYSA-N	314.389	1.836	50	20	DDGD	
CCCc1cc(C(=O)NNc2ccc(C(N)=O)nn2)sc1C	154337118	IHFGCJYDGAWVRC-UHFFFAOYSA-N	319.390	1.655	50	20	DDGD	
COC(=O)CCN(CC(C)C)S(=O)(=O)CCCCCl	228326771	KHNMSRPTWJCFLY-UHFFFAOYSA-N	313.847	1.856	50	20	DDGD	
O=S(=O)(CBr)NCCOCC1CCCC1	313303976	WMFWNHZXHVKOHG-UHFFFAOYSA-N	300.218	1.465	50	20	DDGD	
CCN1CCC[C@H](CN(C)C(=O)CCl)[C@H]1c1cnn(C)c1	1887532545	DYLZLMRKRQNDAH-DOMZBBRYSA-N	312.845	1.890	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)NCCCSC)cc1	7622908	XKCHJYQATXGROK-UHFFFAOYSA-N	313.448	1.557	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNC(=O)c1ccc(C#N)cc1	104342610	ZKQAUXAUHFOJIU-CQSZACIVSA-N	300.362	1.194	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCOCc2ccccc2)n1	174480204	VEEYTDLAEZWGPC-UHFFFAOYSA-N	316.361	1.844	50	20	DDGD	
CC(C)C1CCN(CC(=O)NNC(=O)c2ccccc2)CC1	173585751	JBVCTNKCVRGIIK-UHFFFAOYSA-N	303.406	1.816	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ncoc1-c1ccccc1	112047548	RUZQROVMTJOKFP-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
CCCCN(C)C(=O)NNC(=O)c1c(C)nc2ccccn12	103506259	MUUIXKCZVIGZBP-UHFFFAOYSA-N	303.366	1.729	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1c[nH]c2cc(C)ccc12	101962522	NLMZLXZEAMFVCV-UHFFFAOYSA-N	302.403	1.700	50	20	DDGD	
CN(C(=O)C1CC1)c1ccccc1C(=O)NNc1ncccn1	53443237	KALVCIFETQWOHU-UHFFFAOYSA-N	311.345	1.606	50	20	DDGD	
CCOc1ccccc1C(=O)NNc1nc(C)cc(OC)n1	174481381	KHOCJLIFBKDXPW-UHFFFAOYSA-N	302.334	1.949	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2c[nH]nc2C)cc1	109860452	QHJNLRQOPAYIPV-UHFFFAOYSA-N	302.334	1.121	50	20	DDGD	
COc1ccccc1CN(C)[C@@H](C)C(=O)NNC(=O)CC(C)C	111192728	ISGOKTZTSZXCGG-ZDUSSCGKSA-N	321.421	1.709	50	20	DDGD	
CCCCc1ccc(C(=O)CCC(=O)NNC(=O)NC)cc1	56377310	OPWZBWGZWLOQOB-UHFFFAOYSA-N	305.378	1.952	50	20	DDGD	
Cc1cc(CN(C)C(=O)NNC(=O)c2ccc(C#N)cc2)no1	60994022	YEUCKBRBKJBQTF-UHFFFAOYSA-N	313.317	1.341	50	20	DDGD	
O=C(CCn1cncn1)NNC(=O)c1cccc2ccccc12	172945339	HFBABMFBWLGGIQ-UHFFFAOYSA-N	309.329	1.283	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CC1CCOCC1	117231756	NYYXLFYUAVCHPX-LLVKDONJSA-N	324.352	1.557	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccccc1Cl)CC(F)(F)F	173342436	FRWSVABIZDFONU-UHFFFAOYSA-N	323.702	1.595	50	20	DDGD	
CN1CCO[C@H](C(=O)NN=C(c2ccccc2)c2ccccc2)C1	174529449	CJQCPXNJEFRKQW-KRWDZBQOSA-N	323.396	1.886	50	20	DDGD	
C[C@@H](CCN(C)C)NC(=O)NNC(=O)Cc1ccccc1F	66977762	BYHLKXABPWKURQ-NSHDSACASA-N	310.373	1.039	50	20	DDGD	
O=C(Cc1cc(Cl)c2c(c1)OCCO2)NNc1cnccn1	114878795	SPDRMOYQENZOBG-UHFFFAOYSA-N	320.736	1.587	50	20	DDGD	
C[C@@H]1C[C@H]1C(=O)NNc1nc(Br)cn2ccnc12	176192332	BTJFZKNATBJVRJ-RNFRBKRXSA-N	310.155	1.591	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(Cl)c3c(c2)OCO3)ncn1	172273112	DWUKSLUJAYJCQA-UHFFFAOYSA-N	306.709	1.924	50	20	DDGD	
CCC(=O)N1CCC(=NNC(=O)CCOc2ccccc2)CC1	64306838	ZFMCCIBUJYYAFT-UHFFFAOYSA-N	317.389	1.960	50	20	DDGD	
COCCn1cc(C(=O)NNc2cnccn2)c2ccccc21	172265038	SEWSDSPBSBUVKK-UHFFFAOYSA-N	311.345	1.835	50	20	DDGD	
COc1ccc(OC)c(CC(=O)NNC(=O)c2ccc[nH]2)c1	122941906	AQDDXEYFONFZMM-UHFFFAOYSA-N	303.318	1.036	50	20	DDGD	
O=C(CCSc1ccc(F)cc1)NNC(=O)[C@@H]1CCCO1	32257929	VHXXKDTWSXNMTK-LBPRGKRZSA-N	312.366	1.634	50	20	DDGD	
CC(C)c1cccc(-n2cc(O)c(C(=O)NN(C)C(N)=O)n2)c1	180352653	UEUQZTQBWULYQM-UHFFFAOYSA-N	317.349	1.357	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1cccc(Cl)c1	126497079	FLJIYGGTDYDOLS-CABZTGNLSA-N	311.769	1.910	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Nc1ccc(F)nc1	183241567	FROIUVZUVWPNDD-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C[C@H](C)c2c(C)n[nH]c2C)n1	126912328	JRHGHEFHEWXWAJ-QMMMGPOBSA-N	318.381	1.770	50	20	DDGD	
CN(C)c1ccccc1NC(=O)NNC(=O)Cc1cccnc1	183549385	YVURKDCTGCLFOE-UHFFFAOYSA-N	313.361	1.543	50	20	DDGD	
CC1CCN(CCC(=O)N/N=C2\C(=O)Nc3ccccc32)CC1	31848163	GVZJNFMLEUMQCB-UHFFFAOYSA-N	314.389	1.581	50	20	DDGD	
O=C(NCc1ccc2c(c1)OCCO2)NNc1ccccn1	79203497	QHFMYTJWCBAVKJ-UHFFFAOYSA-N	300.318	1.679	50	20	DDGD	
CC(C)c1csc(CNC(=O)NNC(=O)c2ccc[nH]2)n1	121784484	VWYCCIHTRUAMNB-UHFFFAOYSA-N	307.379	1.739	50	20	DDGD	
CN(CCNC(=O)NNc1nc2ccccn2n1)C1CCCC1	188649878	YCQFTTLWCPYXNA-UHFFFAOYSA-N	317.397	1.230	50	20	DDGD	
O=C(NNC(=O)c1cccc(OC(F)F)c1)Nc1ccon1	183630311	RFUBXJJLULTQLI-UHFFFAOYSA-N	312.232	1.743	50	20	DDGD	
COCCC[C@H](C)C(=O)NNC(=O)COc1cc(C)cc(C)c1	182637219	BHCPNXUAAQOECO-AWEZNQCLSA-N	322.405	1.892	50	20	DDGD	
CCCCCNC(=O)NNC(=O)COc1ccccc1OC	43629841	OWTKYJOBIPDQDR-UHFFFAOYSA-N	309.366	1.595	50	20	DDGD	
CC(=O)NNC(=O)CCn1c(S)nnc1-c1cccc(C)c1	190869290	MICNGEHBVGLNRH-UHFFFAOYSA-N	319.390	1.100	50	20	DDGD	
O=C(Cc1ccc(F)cc1Cl)NNC(=O)[C@@H]1CCCO1	134978936	HZNIRXNFMCQITK-NSHDSACASA-N	300.717	1.348	50	20	DDGD	
CS[C@@H](C)CNC(=O)NNC(=O)Cc1c[nH]c2ccccc12	134035811	HXRXYMQZINVSNP-JTQLQIEISA-N	320.418	1.792	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccccc1C(=O)N1CCCCC1	43488896	XBFOSXYFXMBREK-UHFFFAOYSA-N	320.349	1.705	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNC(=O)CCc2ccccc2)c1	194887051	CQSDRYAOQXIXIN-UHFFFAOYSA-N	311.341	1.179	50	20	DDGD	
COCCn1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)n1	190244433	NVOZYYHCESXMCN-UHFFFAOYSA-N	305.294	1.195	50	20	DDGD	
Cc1noc(C)c1CNC(=O)NNC(=O)CCc1ccccc1	195167489	KLMXORWLNLCNSY-UHFFFAOYSA-N	316.361	1.755	50	20	DDGD	
CC[C@@H]1CCCCN1CCNC(=O)NNC(=O)c1ccc(C)o1	84158836	FVMSEZKPDQUXNY-CYBMUJFWSA-N	322.409	1.797	50	20	DDGD	
CC(C)(N)CNS(=O)(=O)c1ccc(CCCCl)cc1	236647803	MHSDUVOFQQGKOU-UHFFFAOYSA-N	304.843	1.874	50	20	DDGD	
CC(=O)NNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1	264901296	XFKANCXHEIUYIK-CYBMUJFWSA-N	303.406	1.497	50	20	DDGD	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)[C@@H]1CCCCO1	269366536	WCVAXHIIPRECIS-RISCZKNCSA-N	317.345	1.042	50	20	DDGD	
CC(C)(C)C(=O)NCCNC(=O)NNc1ccc(Cl)nc1	266898104	ZZJCHUMKDYHKHC-UHFFFAOYSA-N	313.789	1.523	50	20	DDGD	
COc1cc(C)cc(CNC(=O)NNc2nccc(OC)n2)c1	269953753	YWYYUALWHYUQHL-UHFFFAOYSA-N	317.349	1.629	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CSC[C@H]1C(=O)N[C@H](C)CC	269499820	WNSNNZVQXYYIBK-TXCQAMFQSA-N	311.407	1.247	50	20	DDGD	
Cn1ccnc(NNC(=O)C23CC4CC(CC(C4)C2)C3)c1=O	267071661	GIGGUBKQFPTIML-UHFFFAOYSA-N	302.378	1.440	50	20	DDGD	
COCCN(CC(F)F)C(=O)NNC(=O)c1ccccc1C	264139717	PYQWMIJCVKYHMD-UHFFFAOYSA-N	315.320	1.563	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H]2CCCCO2)c1	272548792	DVXWVGGGNHOHKC-ZDUSSCGKSA-N	307.350	1.668	50	20	DDGD	
CSSCCNC(=O)N1CCC[C@@H](Cn2ccnn2)C1	367568460	YHEFJDRFBMWAFB-LLVKDONJSA-N	315.468	1.711	50	20	DDGD	
C[C@H]1CN(CCI)C[C@]2(CCOC2)O1	366584413	XPEBSECLCWMFJV-UWVGGRQHSA-N	311.163	1.301	50	20	DDGD	
Cc1nc(C)c(CCC(=O)NNc2cc(Cl)ccn2)c(O)n1	272572200	ZEFQJBODORRTRB-UHFFFAOYSA-N	321.768	1.923	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccccc1-n1cnc(C#N)n1	366542495	DBDFLUSPPGXJET-PKNBQFBNSA-N	308.301	1.521	50	20	DDGD	
CCN(C[C@@H]1CCCO1)C(=O)NNC(=O)c1cccc(C)n1	279700825	REJYRMNRXDWBTE-LBPRGKRZSA-N	306.366	1.245	50	20	DDGD	
CC[C@H](C(=O)NNc1cccc(F)c1[N+](=O)[O-])N1CCCC1=O	279202969	DDZYQYCWEQFRKP-LLVKDONJSA-N	324.312	1.578	50	20	DDGD	
COC(=O)c1c(C)[nH]c(C(=O)NNc2ccc(OC)cn2)c1C	275518889	IYEZIYHNIWUIMG-UHFFFAOYSA-N	318.333	1.579	50	20	DDGD	
COc1cc(SC#N)ccc1OS(=O)(=O)C1COC1	276958395	GFOLZYDKGFYJIO-UHFFFAOYSA-N	301.345	1.376	50	20	DDGD	
COc1ccc(NNC(=O)CCc2nc(CSC)no2)nc1	275556069	MJGLLUADDCIQDX-UHFFFAOYSA-N	323.378	1.412	50	20	DDGD	
COC(=O)COc1ccc(NC(=O)NNC(=O)CC2CC2)cc1	273314252	IWJLGYNRKZSHIS-UHFFFAOYSA-N	321.333	1.191	50	20	DDGD	
CSc1ccccc1NC(=O)C(=O)NNC(=O)C(C)(C)C	271707702	NBIOGPHRSGSWQU-UHFFFAOYSA-N	309.391	1.541	50	20	DDGD	
O=C(NNC(=O)c1ccc(O)c([N+](=O)[O-])c1)NC1CCCCC1	273380935	MTULXKAHTPNDOL-UHFFFAOYSA-N	322.321	1.577	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H](C)C2=CCN(C)CC2)n1	273022581	UDTHJJGGLUHZCT-LBPRGKRZSA-N	304.398	1.370	50	20	DDGD	
COc1ccc2c(c1)[C@@H](C(=O)NNc1nccc(OC)n1)CC2	277179164	GVGRKLAZDIDREX-LBPRGKRZSA-N	314.345	1.667	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1cc(C#N)ccc1Cl	275515378	UNWLTAHSUCMBJF-UHFFFAOYSA-N	316.770	1.066	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNC(=O)CSc1ccccc1O	271008957	GQLXNZWPDCZMRL-AWEZNQCLSA-N	312.391	1.183	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NNC(=O)c1ccccc1C	281175625	BIXGESAMFSMEJO-DZGCQCFKSA-N	317.389	1.920	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(C)c2)C1	371594994	ANANKOLTJCLASI-SNVBAGLBSA-N	323.324	1.264	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@H]1CCCN1C1CC1	287254170	RCNYILLJHDDYSG-CYBMUJFWSA-N	301.394	1.814	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H]1CCCC[C@@H]1N1CCOCC1	370567654	DHXOBIYJAGFKPJ-WCVFXIOZSA-N	307.394	1.190	50	20	DDGD	
Cn1nc([C@@H]2CCCOC2)cc1NC(=O)NNc1cnccn1	280138556	MEMYNZSCZGNJGS-SNVBAGLBSA-N	317.353	1.253	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Nc1ccccc1)N1CCSCC1	282714139	GWZXDYXEGKWIQD-NSHDSACASA-N	308.407	1.277	50	20	DDGD	
CCCS(=O)(=O)c1ccccc1C(=O)NN(C)C(=O)OC	286166039	BLIAYWKMGMOJDR-UHFFFAOYSA-N	314.363	1.213	50	20	DDGD	
CN(NC(=O)C(C)(C)c1ccccc1Br)C(N)=O	282500378	WPXGEGUYOBQDSV-UHFFFAOYSA-N	314.183	1.768	50	20	DDGD	
C[C@@H]1COCC[C@@H]1CNC(=O)NNc1cccc([N+](=O)[O-])c1	287843065	LJXMXHXNWUFUNU-GHMZBOCLSA-N	308.338	1.894	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNc1cccc(F)n1)c1nncn1C	286773216	GTVBOFORIFGHDS-LLVKDONJSA-N	307.333	1.373	50	20	DDGD	
COC(=O)N(C)NC(=O)C1(c2cccc(F)c2)CCOCC1	286532890	YHKMKUARHOQBLA-UHFFFAOYSA-N	310.325	1.603	50	20	DDGD	
O=C(NCCF)NNC(=O)c1ccc(Br)s1	281553501	SUQNZMJOSZFWIE-UHFFFAOYSA-N	310.148	1.424	50	20	DDGD	
CC(C)(C(=O)NNS(=O)(=O)CCCCF)c1ccccc1	296087666	WJCZKQJLVWWNPL-UHFFFAOYSA-N	316.398	1.665	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1C(=O)NNC(=O)Cc1cn2ccccc2n1	295409320	VCWHKIJXUGIZCQ-OCCSQVGLSA-N	314.389	1.851	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)OC(C)(C)C	297247819	BPASXOLQRNMWLL-SKDRFNHKSA-N	308.334	1.771	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2cccc(C(=O)OC)c2)n1	293587580	WXLUQJPCPDUNNB-UHFFFAOYSA-N	303.322	1.150	50	20	DDGD	
CC(C)(C)n1cc(C#N)cc1NC(=O)NNC(=O)[C@@H]1CCCO1	291677018	BXUAFUFUGMZGQJ-NSHDSACASA-N	319.365	1.446	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)Nc2cc(F)cc(F)c2)no1	802001837	WCEWKRGSEJRGDC-UHFFFAOYSA-N	310.260	1.657	50	20	DDGD	
Cc1ccc(F)c(C(=O)NNC(=O)N=c2cc[nH]cc2)c1F	802028043	HWYYTWUWEYXSRQ-UHFFFAOYSA-N	306.272	1.557	50	20	DDGD	
CCc1cccc(S(=O)(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	295202392	NMTXTRGBRMEQRI-GWCFXTLKSA-N	312.391	1.126	50	20	DDGD	
COc1cccc(-n2cc(C(=O)NNC(=O)C(C)(C)C)nn2)c1	294669520	ZTVRYSOLCXHDMY-UHFFFAOYSA-N	317.349	1.083	50	20	DDGD	
Cc1cn(-c2ccc(F)cc2)nc1C(=O)NNc1cnccn1	801199762	UPXGQKBTUOUSQN-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
CCOC1CC(C(=O)NNc2ccccc2S(C)(=O)=O)C1	806838178	RDAMNZKHZNDFCR-UHFFFAOYSA-N	312.391	1.348	50	20	DDGD	
Cc1ccc(C=NNC(=O)c2cnccn2)c(-c2cnn(C)c2)c1	802709687	XIOGPZOFGDGVMV-UHFFFAOYSA-N	320.356	1.949	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC(C)(C)[C@@H]1[C@@H]1CCCO1	810030137	SBDCONKIHABEPY-AAEUAGOBSA-N	311.426	1.069	50	20	DDGD	
COc1ccc(NC(=O)NN=C2CCCS(=O)(=O)C2)cc1	814999499	CBJLUDBHJJINCJ-UHFFFAOYSA-N	311.363	1.381	50	20	DDGD	
CSC1(CNC(=O)NNc2ccccn2)CCN(C)CC1	811942255	UNILODYBVBZMDE-UHFFFAOYSA-N	309.439	1.535	50	20	DDGD	
COC(=O)c1cccc(CC(=O)NNc2ncncc2F)c1	817082221	QQHFALUIBWXYNT-UHFFFAOYSA-N	304.281	1.088	50	20	DDGD	
CCC(=NNC(=O)C(=O)NC1CC1)c1ccc(Cl)c(N)c1	814777934	JVNGEEGNGUXUJA-UHFFFAOYSA-N	308.769	1.431	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=Cc1ccc(Cl)o1	814782160	RVGJNXFGJMBYQM-UHFFFAOYSA-N	312.738	1.410	50	20	DDGD	
CC(=NNC(=O)c1cccc2ncccc12)c1cc(CO)on1	812225286	BZTQQNHGERXHJA-UHFFFAOYSA-N	310.313	1.869	50	20	DDGD	
CN(NC(=O)CNC(=O)c1ccccc1C(F)(F)F)C1CC1	819649594	SXTFNHRPDWMHAA-UHFFFAOYSA-N	315.295	1.561	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H]1CCN(c2ccccc2Cl)C1	810587911	UKGIJIBLALIUAC-NSHDSACASA-N	324.812	1.907	50	20	DDGD	
CC(C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1)=C1CCC1	823851556	PBGMXXYKBGJWGV-UHFFFAOYSA-N	315.373	1.890	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CN[C@H](c1ccccc1)C(F)(F)F	823953040	XDANSPZYUXDQEA-ZWNOBZJWSA-N	319.327	1.223	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNc2ncccn2)CCN1C(=O)OC(C)(C)C	496251773	FDDZGNKSQIVIKZ-GHMZBOCLSA-N	321.381	1.565	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2scnc2Cl)cc1	728204857	UXEJEHCVGHBTOW-UHFFFAOYSA-N	324.793	1.978	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(C)(C(=O)NNc2cccc(F)n2)C1	496318192	BOGPHOOGOHNNJQ-UHFFFAOYSA-N	324.356	1.921	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2	492748793	OPLFTRBXOQFTSL-JTQLQIEISA-N	311.382	1.047	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)o1	494641922	UNQZVDJKYUPRHD-UHFFFAOYSA-N	311.338	1.182	50	20	DDGD	
O=C(NN=Cc1ccc(-c2nn[nH]n2)o1)c1cc2ccccc2o1	823273554	QOPHWTZJLBCXTQ-UHFFFAOYSA-N	322.284	1.970	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCC1CCC(C#N)CC1	826705206	ZEOAEOKOCBXCKT-YWPUVAFDSA-N	308.382	1.072	50	20	DDGD	
N#C/C(=C/c1cnccn1)C(=O)NCc1ccc([N+](=O)[O-])cc1	491177814	ZCUYJFZBJNWUQK-GHXNOFRVSA-N	309.285	1.608	50	20	DDGD	
COc1cccc(C(=O)NNC(=S)N[C@H](C)C2CC2)c1O	727282271	YDRRSLYSQZBAQV-MRVPVSSYSA-N	309.391	1.308	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CSc1ccc(C(F)(F)F)cn1	823988354	QURYGZLISUVXTI-QMMMGPOBSA-N	323.340	1.536	50	20	DDGD	
COC(=O)NNC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C1CC1	497266704	TVRMKKYOIVRFDA-QMMMGPOBSA-N	301.343	1.162	50	20	DDGD	
Cc1nc2n(n1)C[C@H](NC(=O)NNc1cccc(C#N)c1)CC2	727229762	VNETVCZEWUGCIO-CYBMUJFWSA-N	311.349	1.099	50	20	DDGD	
COCC1(CNC(=O)/C(C#N)=C/c2cnn(C)c2)CCCC1	491100409	ARPSESZEGRJSBB-VGOFMYFVSA-N	302.378	1.650	50	20	DDGD	
COC(=O)N(C)NC(=O)C(=O)Nc1ccc(Cl)c(F)c1	497253258	NMHOFFCGUZVFCP-UHFFFAOYSA-N	303.677	1.147	50	20	DDGD	
N#C/C(=C/c1ccc(-n2cncn2)c(F)c1)C(=O)N1CCCC1	490550809	YNCIRFCKKHDICA-QPEQYQDCSA-N	311.320	1.936	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@@H](c2ccncc2)C1	829816552	DATQBXQNUHPVLL-CQSZACIVSA-N	318.421	1.455	50	20	DDGD	
C=CCNC(=S)NNC(=O)/C=C\c1ccc2ccccc2n1	490607931	UVZCPICJUCSZDQ-KTKRTIGZSA-N	312.398	1.929	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccn(CC(N)=O)n1	490844603	QYYNHUYATQLNBD-XFFZJAGNSA-N	313.292	1.053	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cccc(C(=O)O)c2)n1	821171228	KKMLLDOAVOJSQR-UHFFFAOYSA-N	306.709	1.894	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@@H](CO)C2CCCCC2)cn1	491048435	LBCOCIBYVLMBEE-NHKNYXOTSA-N	316.405	1.632	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNc1ncc(Cl)cn1)C(C)C	824805176	PYSFQCLGNNXZGK-VIFPVBQESA-N	300.746	1.408	50	20	DDGD	
O=C(C[C@@H]1CC[C@H]2C[C@H]12)NNC(=O)Cn1cnc2ccccc21	822198529	ZFKXKVFFGXOKKO-AVGNSLFASA-N	312.373	1.620	50	20	DDGD	
CC(C)(C)OC(=O)N(CC(=O)NNc1cccnn1)C1CC1	495047109	KXTFOVRINMKCBB-UHFFFAOYSA-N	307.354	1.319	50	20	DDGD	
CO[C@H](c1ccccc1F)[C@H](C)NCc1ccc(B(O)O)cc1	585032954	RXNSKPWRDFXEGH-SJCJKPOMSA-N	317.169	1.371	50	20	DDGD	
CC1CCN(C[C@@H](C)NC(=O)NNC(=O)OC(C)(C)C)CC1	822697578	GHPUSWDELUNTCG-GFCCVEGCSA-N	314.430	1.846	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CCCc1ccccc1)c1cnccn1	906538762	CPATWYIFMHRJJK-CYBMUJFWSA-N	312.373	1.750	50	20	DDGD	
CC(C)OC(=O)[C@@H](C)CNC(=O)NNC(=O)OC(C)(C)C	491879396	WZOZRXUISMFRIO-VIFPVBQESA-N	303.359	1.313	50	20	DDGD	
C[C@@H](NCc1cccc(B(O)O)c1)[C@H](O)c1ccc(Cl)cc1	585025057	KSNSUYLODKSXRW-BZNIZROVSA-N	319.597	1.232	50	20	DDGD	
Cc1cc(CNC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)n[nH]1	733286232	UUUQXWQGJNBYGE-WLRTZDKTSA-N	308.345	1.460	50	20	DDGD	
COC(=O)NCc1ccc(NC(=O)NNc2cnccn2)cc1	494658145	FHWKWEHAYXXFSX-UHFFFAOYSA-N	316.321	1.481	50	20	DDGD	
Cc1n[nH]c(C)c1CCNC(=O)[C@]1(C)C[C@@H]1Br	909287942	LDXBAHMFWGZOHE-CMPLNLGQSA-N	300.200	1.859	50	20	DDGD	
OB(O)c1ccc(CNCc2cc(C3CC3)ccc2F)c(F)c1	585044128	ZDWHMNXQCMJSDX-UHFFFAOYSA-N	317.144	1.812	50	20	DDGD	
OB(O)c1ccccc1CNC[C@@H]1[C@H]2CCc3ccccc3[C@@H]21	585029403	YAJWZTYLMXNNED-LMMKCTJWSA-N	307.202	1.432	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCSC2(CCC2)CC1	839627001	WYIGIRVQVDQZLQ-UHFFFAOYSA-N	313.467	1.542	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1cccc(C(F)(F)F)c1	833384436	JFQRUJFUOAKMCX-UHFFFAOYSA-N	303.240	1.813	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](CN1CCCC1)c1ccccc1	831853957	LOWGFQPATKDLDK-OAHLLOKOSA-N	318.421	1.559	50	20	DDGD	
COCC1(C(=O)NNC(=O)CCc2ccccc2)CCCC1	837381167	CZUQXYCMWJKMNY-UHFFFAOYSA-N	304.390	1.973	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cnc(C)n1C)c1ccccc1	900654840	DFSOZCXLYBYSFF-ZDUSSCGKSA-N	300.362	1.683	50	20	DDGD	
O=C(NNc1cccnn1)N[C@H]1C[C@@H]1c1c(F)cccc1F	736388140	OWGJLPNCUOTELO-KWQFWETISA-N	305.288	1.937	50	20	DDGD	
O=C(CSCc1cccnc1)NNC(=O)[C@@H]1CCCCO1	833256137	KYKJSSVVWNXWCP-LBPRGKRZSA-N	309.391	1.031	50	20	DDGD	
CCOc1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cc1OCC	585071658	YLNAYJJYAAAVMD-GFCCVEGCSA-N	307.155	1.173	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H](CC(C)C)NC(=O)O)n1	830765801	WGBKQZHZNZTPFT-QMMMGPOBSA-N	315.761	1.564	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)c1cc(F)ccc1F	730780612	PGOCETJJYHKTQD-UHFFFAOYSA-N	322.267	1.510	50	20	DDGD	
C[C@H](NC(=O)[C@@]1(C)C[C@@H]1Br)C(=O)N1CCCC1	907962918	QCCYKRGRCJPHTJ-AUTRQRHGSA-N	303.200	1.287	50	20	DDGD	
CCC[C@@H](NC(=O)c1cccc(B(O)O)c1)c1cccs1	584934798	SXNZGBBMLOHWMX-CYBMUJFWSA-N	303.192	1.699	50	20	DDGD	
Cc1[nH]nc(C(=O)NNC(=O)OC(C)(C)C)c1C(F)(F)F	905069787	AWVZTZHRRPIIMZ-UHFFFAOYSA-N	308.260	1.906	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C[C@H](C)c2cnn(C)c2)n1	839695914	MWUVKLBSVQKVFV-VIFPVBQESA-N	304.354	1.164	50	20	DDGD	
CC(C)(CC(=O)O)CC(=O)NNC(=O)Cc1ccccc1F	833454669	RRMPZKITTRMLOW-UHFFFAOYSA-N	310.325	1.407	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CSCC(=O)O	739874765	ZDIOEGIPYDZSPT-UHFFFAOYSA-N	301.276	1.327	50	20	DDGD	
COCCCNC(=O)NN=C(CCOC)c1ccc(F)cc1	734748201	LNRQEGBMGXJBBD-UHFFFAOYSA-N	311.357	1.902	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1cccc(OCC(=O)O)c1	736242005	OQXCVYIJHRFATL-UHFFFAOYSA-N	323.349	1.027	50	20	DDGD	
OB(O)c1ccc(CNCc2cc3c(s2)CCCC3)cc1	585022669	VVAIHASWJGRAPZ-UHFFFAOYSA-N	301.220	1.597	50	20	DDGD	
CC(=O)Nc1ccc(O)c(C(=O)NNc2ccc(Cl)nn2)c1	735689309	YQEOOXOPYQIPSO-UHFFFAOYSA-N	321.724	1.551	50	20	DDGD	
Cc1ccc([C@@H]2CCCN2CC(=O)NNC(=O)C2CC2)cc1	733193594	YZJDSQNUZNQQOD-HNNXBMFYSA-N	301.390	1.689	50	20	DDGD	
CC(C)COc1ccccc1C=NNC(=O)CN1CCCC1=O	834935036	XPZKJEUVKBWESW-UHFFFAOYSA-N	317.389	1.794	50	20	DDGD	
COc1ccc(C2(C(=O)NN(C)C[C@H](C)O)CCC2)cc1OC	910152690	STUPUGXHKJZWSH-LBPRGKRZSA-N	322.405	1.469	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2c[nH]nc2C1)c1cc2ccccc2o1	749475176	ZQNXVXNOXSUSFH-LLVKDONJSA-N	324.340	1.722	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2)ns1)NC1CC1	746164185	CZIKYULDMWUMKC-UHFFFAOYSA-N	302.359	1.917	50	20	DDGD	
COc1ccc(C)cc1CC(=O)NNc1ncnc2[nH]cnc12	743471237	WFRLCSBHKXBWIO-UHFFFAOYSA-N	312.333	1.356	50	20	DDGD	
CCNC(=O)NNC(=O)c1c[nH]nc1-c1ccc(OC)cc1	742585328	GVHWWZTWINICLH-UHFFFAOYSA-N	303.322	1.049	50	20	DDGD	
Cc1cccc(CC(=O)NN(C)C[C@@H](C)O)c1Br	910140936	UQXADAJWTFOPQV-SNVBAGLBSA-N	315.211	1.644	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)OCCCO2	843647882	ORLIVXLLRQZGOZ-PWSUYJOCSA-N	320.345	1.034	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)cc2n1C	843657430	RCXMJGSPIJFVFL-CABZTGNLSA-N	316.361	1.068	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1	910177610	MQOZTPLVQNLDQA-LLVKDONJSA-N	322.365	1.152	50	20	DDGD	
COCCOCCNC(=O)NNc1ccc(Cl)c(C)c1	914204504	XXTXGQSTBRLVJM-UHFFFAOYSA-N	301.774	1.938	50	20	DDGD	
O=C(NN=C1CCN(CC(F)(F)F)CC1)c1ccccn1	915933296	RIUXIJNLGZHGHM-UHFFFAOYSA-N	300.284	1.826	50	20	DDGD	
C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)NN	843450491	DHSDUKJMDSECDO-KWCYVHTRSA-N	301.390	1.761	50	20	DDGD	
O=C(NNc1ncccc1F)N[C@@H]1CCCN2CCCC[C@H]12	848675283	WFEZDVQNIHJCGE-CHWSQXEVSA-N	307.373	1.864	50	20	DDGD	
NC[C@H](NC(=O)NNc1cnc2ccccc2n1)C(F)(F)F	848598492	ZVFFRTOCOUWIEV-VIFPVBQESA-N	314.271	1.146	50	20	DDGD	
C[C@H]1CC[C@H](C(=O)NNC(=O)Cc2cn3ccccc3n2)CC1	844415006	MQHWBQSDSINSAL-JOCQHMNTSA-N	314.389	1.851	50	20	DDGD	
Cc1cccc2c1CCC2=NNC(=O)Cc1cc(O)nc(O)n1	743447049	AWJDBXOJEXFDRZ-UHFFFAOYSA-N	312.329	1.205	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)[nH]1	747624410	MTIZDHMGYXHABN-UHFFFAOYSA-N	316.273	1.473	50	20	DDGD	
Cc1ccc(F)c2c1NC(=O)C2=NNC(=O)[C@H]1CCO[C@@H]1C	842551958	AALWFUUJTOMYMM-BDAKNGLRSA-N	305.309	1.332	50	20	DDGD	
CCCOc1ccc(C(=O)NN=Cc2ncnn2C)cc1OC	842520972	XEVGVSNMBQIOQB-UHFFFAOYSA-N	317.349	1.376	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@@H]1CCN(C)[C@H](C)C1	745855796	ZYATTYJJVGXCJB-CHWSQXEVSA-N	319.409	1.813	50	20	DDGD	
C=C[C@H](C)ONC(=O)NNC(=O)COc1cc(C)cc(C)c1	845640509	XVDNKTDRQIHVNY-LBPRGKRZSA-N	307.350	1.519	50	20	DDGD	
C[C@H](COc1ccccc1)NC(=O)NNC(=O)CC(F)(F)F	918090115	JDIAIMBLPFWZBW-SECBINFHSA-N	319.283	1.737	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc2cc(F)ccc2o1	843650506	DEBPEZRVVZQOET-KCJUWKMLSA-N	306.293	1.758	50	20	DDGD	
CCN1CCC(=NNC(=O)COc2ccc(OC)cc2)[C@@H](C)C1	741458168	QMCWWQDNNDNBEN-ZDUSSCGKSA-N	319.405	1.908	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNC(=O)[C@H]1CC12CCCC2	747303182	JENPKTDDRLPHLA-SNVBAGLBSA-N	321.402	1.206	50	20	DDGD	
O=C(NC[C@@H]1CC1(Cl)Cl)NNC(=O)c1ccccc1F	915907596	ABMUWHGPJVZIDX-ZETCQYMHSA-N	320.151	1.964	50	20	DDGD	
CC[C@@H](C)Oc1cccc(S(=O)(=O)NN(C)C(=O)OC)c1	849391953	KJSTYMVVQFWDSE-SNVBAGLBSA-N	316.379	1.755	50	20	DDGD	
CC(C)O[C@H]1C[C@@H](NC(=O)NNC(=O)c2ncccn2)C1(C)C	841582152	JYLGKSCWEGUQQH-MNOVXSKESA-N	321.381	1.013	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1ccc(S(C)(=O)=O)s1	842549564	ODYPFBNLMAZRDB-SCZZXKLOSA-N	316.404	1.027	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CCn1cc(Cl)cn1	918690430	UECLCTJFJFZSLT-UHFFFAOYSA-N	303.819	1.220	50	20	DDGD	
C[C@H](COCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccccc1	844620316	SRWPAHRHLVHGMX-NFAWXSAZSA-N	320.389	1.379	50	20	DDGD	
COC(C)(C)C[C@H](C)NC(=O)NNC(=O)c1ccccc1F	743657060	YZBAFOXNROFBDD-JTQLQIEISA-N	311.357	1.973	50	20	DDGD	
CO[C@]1(C=NNC(=O)COc2ccc(Cl)cc2)CCOC1	841607582	XXSVHFJIMMGIIG-AWEZNQCLSA-N	312.753	1.626	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(F)c1	843657542	CERBURITYJEGFF-KOLCDFICSA-N	308.309	1.214	50	20	DDGD	
CCOc1ccc(OCC)c(NC(=O)NNC(=O)CCCN)c1	841015548	IZDGJDBZWGLKFU-UHFFFAOYSA-N	324.381	1.376	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CCC(=O)C1	843756215	UWPIQTNQZYKCGV-VHSXEESVSA-N	308.309	1.110	50	20	DDGD	
O=C(NNc1ncccc1F)N[C@@H]1CCN(CC(F)F)C1	841593543	AGEUQEHOODZGQI-MRVPVSSYSA-N	303.288	1.186	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2nnn(C)c2C)c1C	743297142	NPQADJDSFHUJOM-UHFFFAOYSA-N	318.406	1.372	50	20	DDGD	
CC(C)CO[C@@H](C)C(=O)NNC(=O)Cn1cnc2ccccc21	920821170	VRSSQDWMUJHRNA-LBPRGKRZSA-N	318.377	1.245	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cnc2ccccc2n1)C1CC1	855103936	WABYJWFAJSEYOT-SECBINFHSA-N	315.402	1.537	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1Cc2ccccc2C(C)(C)C1	759308956	PJYLYSRFDGVZRV-LBPRGKRZSA-N	303.406	1.726	50	20	DDGD	
CCn1nccc1C=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1	753694383	DWLZFVBYCMTISU-MELADBBJSA-N	321.425	1.098	50	20	DDGD	
CCc1c(C(=O)NN(C)C(=S)NC)cnn1CCC(C)C	854921141	YOLMMVFZYRSEFH-UHFFFAOYSA-N	311.455	1.573	50	20	DDGD	
Cc1cc(CNC(=O)NC[C@@]2(C)C[C@@H]2Br)no1	856825757	BZTJWKOAFGGYLR-GXSJLCMTSA-N	302.172	1.956	50	20	DDGD	
Cc1c(CCC(=O)NNc2oc(C(C)C)nc2C#N)cnn1C	758875130	VUUZCLTWIJNJCY-UHFFFAOYSA-N	316.365	1.788	50	20	DDGD	
CCCOc1ccc(OCC(=O)NN(C)C(=S)NC)cc1	854929507	KVQGUCBOEBGVDP-UHFFFAOYSA-N	311.407	1.322	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCC(O)CC2)cc1)C1CCC1	853306112	KIZIKCDLUMAUHL-UHFFFAOYSA-N	301.390	1.898	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)N2CCN(C)CC2)ccc1Cl	928341007	KSFVUHBFPUDMHL-LBPRGKRZSA-N	310.829	1.727	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccc(CC)cc1	929289931	JOINJCLNKOIZNB-CHWSQXEVSA-N	304.346	1.209	50	20	DDGD	
COc1cc(C)sc1C(=O)NNC(=S)N[C@H](C)C1CC1	855101029	NPKBVKQNXQVQAJ-MRVPVSSYSA-N	313.448	1.973	50	20	DDGD	
O=C(NNC(=O)c1ccc(CO)c(F)c1)OCC(F)(F)F	856020787	UDWSWYKDVJZJCA-UHFFFAOYSA-N	310.203	1.251	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21	858781298	BUWCONIJTCZGFQ-RBSFLKMASA-N	311.341	1.696	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCCCc1cnn(C)n1	854091244	ALGXKPVLVZCYQY-UHFFFAOYSA-N	306.345	1.522	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)CC(F)(F)F)cc1	755828942	SPYWMJBPKCAXFI-UHFFFAOYSA-N	319.239	1.578	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1	858244957	LSTOZGMOBOWYLH-YUSALJHKSA-N	323.418	1.814	50	20	DDGD	
CN(NC(=O)N[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1	753916700	XEQXYISYHNMFSQ-LLVKDONJSA-N	316.327	1.974	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)NCc2ccco2)c(C)nn1	759369805	RDQLLTUUALSHKP-UHFFFAOYSA-N	303.322	1.085	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CC1CCCC1)n1nnnc1C(C)(C)C	757948515	IBJVDWAUPNFOTP-SNVBAGLBSA-N	322.413	1.259	50	20	DDGD	
COc1cc(C=NNC(=O)c2cc[nH]n2)c2c(c1)C[C@@H](C)O2	853392950	XBANVJXPZVIYOZ-SECBINFHSA-N	300.318	1.506	50	20	DDGD	
CCc1ccsc1C(=O)NN(C)C(=S)NCCCOC	854280365	QQLCXCILGBKTCC-UHFFFAOYSA-N	315.464	1.798	50	20	DDGD	
CC(C)(C)C(=O)CCCC(=O)NNC(=O)c1cccc(F)n1	856426764	HUMAEGDUGHYOSY-UHFFFAOYSA-N	309.341	1.767	50	20	DDGD	
C[C@@H](CBr)COC(=O)Cc1ccc(C(N)=O)cc1	753489990	BXRMKURSGQQXMS-VIFPVBQESA-N	314.179	1.902	50	20	DDGD	
O=C(NNC(=O)c1cccc2c1CCOC2)NC1CCCC1	930966737	XWZJHFHRLZSKCK-UHFFFAOYSA-N	303.362	1.646	50	20	DDGD	
C[C@H](NNC(=O)[C@H](O)Cc1ccccc1Cl)C(F)(F)F	862318601	RMXYSEDMAJWQDW-OIBJUYFYSA-N	310.703	1.815	50	20	DDGD	
C[C@@H]1CN(C(=O)OC(C)(C)C)CC1=NNC(=O)c1cn[nH]c1	863152179	JERGCVCELDRMNX-SECBINFHSA-N	307.354	1.382	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)c1cn[nH]c1)O[C@@H](C)C2	863155857	BASGNFDFTPVVMZ-VIFPVBQESA-N	300.318	1.506	50	20	DDGD	
C/C=C(/C)C(=O)OCC(=O)NNC(=O)Cc1ccccc1C	767370196	ZLPJXNWCRJJTOD-WCIBSUBMSA-N	304.346	1.194	50	20	DDGD	
CCCc1csc(NC(=O)C(=O)NN=c2cc[nH]c(C)c2)n1	861961250	XRIAYJGWTJIXAG-UHFFFAOYSA-N	319.390	1.303	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C1CCC(c2ccccc2)CC1	863188960	UAIKZRVTDAECRB-UHFFFAOYSA-N	308.403	1.861	50	20	DDGD	
COCCOCc1ccc(NCc2ccc(B(O)O)cc2)cc1	863892168	OOUPMAOCJCLWGS-UHFFFAOYSA-N	315.178	1.142	50	20	DDGD	
C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1CC(=O)NNC(=O)C1CC1	769955584	ZUQFMEXOCZKYQF-GHMZBOCLSA-N	319.380	1.691	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1cc(F)c(F)c(F)c1	763887882	FMKVYNDIKDERTB-UHFFFAOYSA-N	317.267	1.236	50	20	DDGD	
CC(C)[C@H]1CCCCC1=NNC(=O)[C@@H](C)NS(C)(=O)=O	764687599	SMURJUWJNPDMEN-GHMZBOCLSA-N	303.428	1.243	50	20	DDGD	
CCOC(=O)N1CSC[C@H]1C(=O)NCCSSC	935872802	OLNMNHWHXKDRPS-QMMMGPOBSA-N	310.466	1.645	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(C=NNC(=O)c2cn[nH]c2)C1	863153865	GCHUHGWWNHOORM-XHDPSFHLSA-N	319.365	1.382	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cn[nH]c1)c1ccc(OC)cc1	862470749	ILDXYPGGZFHGLZ-ZDUSSCGKSA-N	302.334	1.373	50	20	DDGD	
Cn1nc(NC(=O)NNC(=O)CC(F)(F)F)c2ccccc21	934448091	ZICTWXUOLHIKHZ-UHFFFAOYSA-N	315.255	1.678	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)CNC(=O)c2cccnc2)C1(C)C	763194467	IVHBQFSTPKEZQM-CYBMUJFWSA-N	318.377	1.119	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C(=O)NC1CC1)C1CCC(C)CC1	763734373	KDMGXCQRJRQDIK-XIVSLSHWSA-N	309.410	1.265	50	20	DDGD	
CCOC(=O)C[C@H](C)CNS(=O)(=O)CC(C)(C)CCl	867024768	HMBAHRZKAVZOLI-JTQLQIEISA-N	313.847	1.760	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@H](Br)C(C)(C)C	768367591	GMDPUVDXWBIQRE-UTLUCORTSA-N	319.243	1.827	50	20	DDGD	
CCCC(=O)N1CCC[C@H](C(=O)NN=c2cc[nH]c(C)c2)C1	862510283	AQGOWXKSVGTWPG-ZDUSSCGKSA-N	304.394	1.294	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21	862094469	ASPLKURIKKEGLU-GLLLDNPPSA-N	300.358	1.145	50	20	DDGD	
O=S(=O)(CBr)NCc1cc2ccccc2[nH]1	769934331	SDTFUNUOUFLSEO-UHFFFAOYSA-N	303.181	1.940	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)c(C)c1)c1ccnn1C	766002358	NPSHZZCGKMCFPE-UHFFFAOYSA-N	313.361	1.516	50	20	DDGD	
O=C(CCOC[C@@H]1CCCO1)NNc1nc2ccccc2[nH]1	768495841	PILCWAKHQHAGNJ-NSHDSACASA-N	304.350	1.592	50	20	DDGD	
C[C@@H](CNC(=O)[C@H](Br)C(C)(C)C)S(C)(=O)=O	768316050	AEGMHVUWFGBJQS-YUMQZZPRSA-N	314.245	1.345	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cccc3ccncc23)nn1	1116710037	XCGHUHFHNZSOQX-UHFFFAOYSA-N	322.328	1.415	50	20	DDGD	
O=C(NNC(=O)c1ccccc1N1CCCC1=O)c1ccncc1	1115892599	BVRWMLAPYZOKRR-UHFFFAOYSA-N	324.340	1.283	50	20	DDGD	
Cc1ccnc(O)c1C(=O)NNc1ccc2c(=O)[nH]ccc2c1	1117155090	VHIIHISVNSEPHX-UHFFFAOYSA-N	310.313	1.694	50	20	DDGD	
O=C(NNC(=O)c1cc[nH]n1)c1cnn(C2CCCCC2)c1	1118829231	IZVXNFWDFPDTAR-UHFFFAOYSA-N	302.338	1.186	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2ccc3c(c2)nnn3C)cc1	1116101730	DLCDCBLICNGQLY-UHFFFAOYSA-N	309.329	1.741	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cnn([C@H](C)CC)c1C1CC1	763440828	BBFSVQINJRURSS-SECBINFHSA-N	321.381	1.227	50	20	DDGD	
COC1CC(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)C1	1118905715	YLVBLRDFBVZZPW-JBLZRFIASA-N	310.325	1.165	50	20	DDGD	
COC(=O)C(=O)NN=C1CCC2(CC1)C(=O)Nc1ccccc12	1116195595	KAOSPQFGHYRROS-UHFFFAOYSA-N	315.329	1.096	50	20	DDGD	
COc1nc(Cl)c(C=NNC(=O)c2ccc(O)cc2)n1C	1117702070	LBMIODYGHKOLDI-UHFFFAOYSA-N	308.725	1.552	50	20	DDGD	
COC[C@@H](NC(=O)NN(C)C(=O)OC)c1ccc(Cl)cc1	875540626	DNZMQJYUSZWSKY-LLVKDONJSA-N	315.757	1.940	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccc(Oc2cccnc2)cc1	1117556119	CZRLEBGIITUNKG-UHFFFAOYSA-N	316.317	1.409	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C[C@@H]1C=CCCC1	778403574	XPAHRAFSLHFCRD-QWHCGFSZSA-N	310.394	1.858	50	20	DDGD	
CNc1ccccc1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	771891417	MZSHIKBWONJYCL-NSHDSACASA-N	321.377	1.467	50	20	DDGD	
O=C(NNc1ccncn1)[C@@H]1CCCCN1Cc1cccnc1	1117811731	NBSDZRAWCNSVMR-AWEZNQCLSA-N	312.377	1.369	50	20	DDGD	
CC(=NNC(=O)CO)c1cc(Br)cc(Cl)c1O	776782999	JYTBGRQZRFHHKS-UHFFFAOYSA-N	321.558	1.641	50	20	DDGD	
CS(=O)(=O)Nc1ccccc1C(=O)NCCCSC#N	773585285	MUBPYGNSVNPMET-UHFFFAOYSA-N	313.404	1.392	50	20	DDGD	
COCCOCC(=O)NN=Cc1c(C)c2ccccc2n1C	872400461	LJWMSXAQXPXIJN-UHFFFAOYSA-N	303.362	1.600	50	20	DDGD	
COc1ccnc(NNC(=O)C(=O)Nc2ccc(C)c(C)c2)n1	773726137	JDVLJRBEZAXYIJ-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccccc1C(=O)N1CCCC1	878078484	YSQUXTQIJZVFDD-UHFFFAOYSA-N	320.393	1.537	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)C2(Br)CC2)c1	874355383	MFVUYIGMEBTHGU-UHFFFAOYSA-N	308.135	1.247	50	20	DDGD	
C[C@H](CBr)COC(=O)c1cnc2c(c1)nnn2C	770413337	YNLGRNDCXYEBEG-SSDOTTSWSA-N	313.155	1.551	50	20	DDGD	
O=C(CNC1(c2cccc(Cl)c2)CC1)NNC(=O)C1CC1	775453400	DCEATNMHJHCEHB-UHFFFAOYSA-N	307.781	1.476	50	20	DDGD	
C[C@@H]1CCN(C(=O)[C@@H](Br)C(C)(C)C)[C@@H](C(N)=O)C1	779305716	RAZPWKPUDWAXNS-OPRDCNLKSA-N	319.243	1.908	50	20	DDGD	
CNS(=O)(=O)[C@H]1CCCN(C[C@@H](C)CBr)C1	770665695	GLQHXWRXZCHMQX-UWVGGRQHSA-N	313.261	1.031	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc2nccnc2c1	770245675	IPDARAPRIJVFDA-UHFFFAOYSA-N	321.431	1.102	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)c2cc(C)[nH]n2)c(C)nc1C	777167235	PUCIQRNPJXIDDE-UHFFFAOYSA-N	315.333	1.007	50	20	DDGD	
CCCNC(=O)[C@H](C)NC(=O)NNC(=O)c1ccc(CC)cc1	1122492149	NGPSXYYFCZWUPV-NSHDSACASA-N	320.393	1.108	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N2CCC[C@H](CF)C2)c1	883476397	FTRHILRJXKADDM-GFCCVEGCSA-N	304.325	1.594	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1	781064315	ZKPBJZLBDKZFOK-STQMWFEESA-N	324.425	1.108	50	20	DDGD	
O=[N+]([O-])c1ccc(OS(=O)(=O)CBr)cc1F	782425108	MLKUNEGAWFXTKB-UHFFFAOYSA-N	314.088	1.795	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@@H]2CCN(C(C)C)C2)n1	780028065	YXCANNFXCMALSY-LBPRGKRZSA-N	307.398	1.447	50	20	DDGD	
Cn1nnc2c1C[C@@H](C(=O)NNc1ccc(F)cc1Cl)CC2	885136682	DXXRWBPBPOGENS-QMMMGPOBSA-N	323.759	1.856	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2cccc([N+](=O)[O-])c2C)on1	781430892	HLFHPAFMESWZBA-UHFFFAOYSA-N	320.261	1.435	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1	787220446	ALNSMDZTOOPRNS-GHMZBOCLSA-N	319.361	1.208	50	20	DDGD	
CS(=O)(=O)c1ccnc(NC(=O)NCC(Cl)Cl)c1	880590841	WQPAOKYRNGPOKE-UHFFFAOYSA-N	312.178	1.410	50	20	DDGD	
Cc1nc([C@@H]2CCCN(S(=O)(=O)CCCCCl)C2)n[nH]1	780807933	FAXGBWWSZPVHSR-LLVKDONJSA-N	320.846	1.641	50	20	DDGD	
N#Cc1ccc(NNC(=O)NC[C@@H]2CCOC3(CCC3)C2)nc1	889158012	HXUQXSVIFYOWMB-GFCCVEGCSA-N	315.377	1.929	50	20	DDGD	
O=C(/C=C/c1nccs1)NNCC(F)(F)C(F)(F)F	1123916303	MGESYWPRZKPWBR-OWOJBTEDSA-N	301.240	1.975	50	20	DDGD	
CNC(=O)C1(C(=O)OC[C@]2(C)C[C@H]2Br)CCC1	1123141958	OMRNEWLKRZLKAW-KCJUWKMLSA-N	304.184	1.619	50	20	DDGD	
COc1ccc(CC(=O)NNc2ccnc(F)c2)cc1[N+](=O)[O-]	781358404	RGMMUSJISAMUIO-UHFFFAOYSA-N	320.280	1.823	50	20	DDGD	
O=C(NCC(F)(F)F)NN=CC1CCC2(CC1)OCCO2	788714122	BKMNLNZLENIETE-UHFFFAOYSA-N	309.288	1.767	50	20	DDGD	
CN1CCCC[C@H]1CCN(C)S(=O)(=O)CBr	782453837	JJXOZBMMEIUZSZ-JTQLQIEISA-N	313.261	1.475	50	20	DDGD	
CCCNC(=O)NNC(=O)c1nnn(CC2CCCC2)c1C	788740682	CSTBLLHYGQPPFL-UHFFFAOYSA-N	308.386	1.131	50	20	DDGD	
Cc1cccc([C@H]2CCN(CC(=O)NNC(=O)C3CC3)C2)c1	784480823	IRQDBIOMRYQGIN-HNNXBMFYSA-N	301.390	1.342	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(C)nc3cc(C)nn23)nc1	781520021	YUZAOHLOXQXKON-UHFFFAOYSA-N	312.333	1.507	50	20	DDGD	
C#CCSCC(=O)NNC(=S)Nc1ccc(C)c(C)c1	899939105	GOJXSGZUXZDFBJ-UHFFFAOYSA-N	307.444	1.987	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccc2nccnc2c1	791259900	GFPJSVFQDFKVJL-UHFFFAOYSA-N	305.301	1.429	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)CC1OCCO1	793710278	KNENUSYXVXKPAF-UHFFFAOYSA-N	315.167	1.964	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21)c1ccc(Cl)cc1O	892948526	UJDVQHOCJUMTDW-XXILOJSOSA-N	308.721	1.032	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	794620322	SEZJVBAFJFHGFS-SNVBAGLBSA-N	319.336	1.945	50	20	DDGD	
O=C(CC1OCCCO1)NNC(=O)c1cc2c(s1)CCC2	792812988	YHRWBZFQOOFJEQ-UHFFFAOYSA-N	310.375	1.151	50	20	DDGD	
C=C(CBr)CN1CCC(C(=O)NCCOC)CC1	791441043	BQPNYKCCCRJZPY-UHFFFAOYSA-N	319.243	1.412	50	20	DDGD	
C[C@@H](C(=O)NNc1ncccn1)n1ccc2ccccc2c1=O	791204493	GOBSOZRDOHEHDT-NSHDSACASA-N	309.329	1.496	50	20	DDGD	
CSSCCNC(=O)NCC1(CS(C)(=O)=O)CC1	790762695	REBIQSZOWUPHCD-UHFFFAOYSA-N	312.482	1.122	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=C2CCOC[C@H]2C)n1	794465386	TWNDKMWTEHXFNM-SECBINFHSA-N	308.407	1.714	50	20	DDGD	
CCc1occc1C(=O)NNC(=O)c1ccc(OC)c(OC)c1	797407512	PYKUHXJDVYGZKY-UHFFFAOYSA-N	318.329	1.934	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cnc(C(F)(F)F)cc1OC	792512249	UJSGHYHXTUVJHN-UHFFFAOYSA-N	306.244	1.672	50	20	DDGD	
CO[C@H]1C[C@@H](NC(=O)NNc2nncc(N)c2Cl)C1(C)C	1319393844	MVQAXPPKWHZPSL-SFYZADRCSA-N	314.777	1.152	50	20	DDGD	
CCc1ccccc1CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C	1328118597	CODKDGFRBUAWGD-FZMZJTMJSA-N	305.378	1.504	50	20	DDGD	
Nc1cnnc(NNC(=O)CCNc2ccccc2)c1Cl	1322656610	VZCIIWVCUKIERG-UHFFFAOYSA-N	306.757	1.658	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1n[nH]c2c1CCCC2)c1ccco1	1329174073	SFWOMAWDFTWKRT-JTQLQIEISA-N	316.361	1.836	50	20	DDGD	
Cn1ncc(C(=O)NNc2ncncc2F)c1C(F)(F)F	1325043554	YQJJCOAJKYJIFA-UHFFFAOYSA-N	304.207	1.125	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2cnc(N(C)C)n2C)CC1	1325940082	DCXANWGXRVBHPB-UHFFFAOYSA-N	320.441	1.058	50	20	DDGD	
CC[C@@H](NCc1cccc(B(O)O)c1)c1cc(F)ccc1OC	1333866313	DDQVHQLESJURCN-MRXNPFEDSA-N	317.169	1.755	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cccc3cccnc23)ccn1	1338039246	LFDBJDIVTSCJEZ-UHFFFAOYSA-N	322.324	1.713	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(-n2cccn2)c(F)c1	1339801802	FPTKPEMTKQWALO-UHFFFAOYSA-N	319.365	1.306	50	20	DDGD	
C#Cc1ccc(NC(=O)C(=O)NNC(=O)CC2CCCC2)cc1	1262700336	DFVNOFNTFGQWTM-UHFFFAOYSA-N	313.357	1.334	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=C1CC[C@@H]2CNc3cccc1c32	1343873203	TVKYBJBRKZCEBU-CYBMUJFWSA-O	307.377	1.798	50	20	DDGD	
CCCNC(=O)[C@H](C)NC(=O)NNc1ccc(C(C)(C)C)nn1	1342016633	ASVNFJDNYKNIEH-JTQLQIEISA-N	322.413	1.315	50	20	DDGD	
C[C@@H]1CCc2nc(NC(=O)NNC(=O)c3cn[nH]c3)sc2C1	1351500514	WAKHEPBBHMWDFG-SSDOTTSWSA-N	320.378	1.458	50	20	DDGD	
O=C(NCCn1cccn1)NNc1ccc(F)c(C(=O)O)c1	1601518047	NVVBITPJWWBDOE-UHFFFAOYSA-N	307.285	1.047	50	20	DDGD	
CC(C)[C@@H](C(=O)O)C(=O)NNc1ccnc(C(F)(F)F)c1	1602970317	PSZQZQWBQURPEY-SECBINFHSA-N	305.256	1.900	50	20	DDGD	
O=C(O)c1cccc2c1OCCN2S(=O)(=O)CCCCl	1608943318	VLXIBJAVTSSMPD-UHFFFAOYSA-N	319.766	1.542	50	20	DDGD	
C=C[C@@](C)(CC)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	1609051883	ABLHELXAMSLUTE-ZDUSSCGKSA-N	321.772	1.961	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)N[C@@H]1CCNC12CCC2	1608480886	WVYKYLHQOAREBP-GFCCVEGCSA-N	322.340	1.435	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccc(OC(F)F)cn2)nc1	1602382770	BKVNTNFPMYRCKL-UHFFFAOYSA-N	324.243	1.533	50	20	DDGD	
Cc1ccnc(NNC(=O)c2cc(C)c(-c3nn[nH]n3)c(C)c2)c1	1605959329	QIXCYKBHGCLOBT-UHFFFAOYSA-N	323.360	1.944	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1ccccc1CC(F)(F)F	1608754570	PCRPZZJTRYLRJW-UHFFFAOYSA-N	303.240	1.509	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cccc(CC(=O)O)c1	1609722238	QYZYVYJLNQBHDL-UHFFFAOYSA-N	314.345	1.984	50	20	DDGD	
Cc1nccc(NC(=O)NNc2ccc(-c3nn[nH]n3)cc2)n1	1606094241	IRMVCMUURASHJP-UHFFFAOYSA-N	311.309	1.114	50	20	DDGD	
Cc1sc(C(=O)O)cc1NC(=O)NNC(=O)c1ccc[nH]1	1600875244	XALOFPSBADOWNM-UHFFFAOYSA-N	308.319	1.549	50	20	DDGD	
O=C(O)c1cc(F)cc(C(=O)NNC(=O)c2cccc(F)n2)c1	1602272148	SGTKQKYUFRPQHC-UHFFFAOYSA-N	321.239	1.133	50	20	DDGD	
Cn1ncc(C2CC2)c1C(=O)NNc1cccc(-c2nn[nH]n2)c1	1606276548	RGADFHKZPQEQFD-UHFFFAOYSA-N	324.348	1.235	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)N[C@H]1CCN2CCC[C@H]2C1	1608483732	YIVZMJUEQMNKLB-JSGCOSHPSA-N	318.377	1.638	50	20	DDGD	
O=C(O)CC1(C(=O)NNc2ccc(C(F)(F)F)nn2)CCC1	1606072054	ZCMKQUADTWHNND-UHFFFAOYSA-N	318.255	1.584	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@@H]2C=NNC(=O)[C@@H]2CCOC2)cn1	1552455617	ZYUGUHWAPFUWDJ-YRGRVCCFSA-N	306.366	1.119	50	20	DDGD	
CC1(C)CN[C@H]1C(=O)NNc1cc(C#N)ccc1Br	1576463038	XBRYGIGQQBRLNT-NSHDSACASA-N	323.194	1.762	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CC	1847489074	OBXIFBRQZCOVFM-VOAKCMCISA-N	316.829	1.367	50	20	DDGD	
O=C(c1nccs1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843362911	KIJNYHFHICYVNA-MRVPVSSYSA-N	317.773	1.495	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H]1C[C@@H]1F)C2	1845167247	QJSMVKCWNHPFKS-AXFHLTTASA-N	302.777	1.565	50	20	DDGD	
CS[C@@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1591687068	VXSMYUCDAOHWPT-LURJTMIESA-N	312.786	1.715	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1ccccn1)C2	1845163576	FWDQMKQCEZEJKP-GFCCVEGCSA-N	321.808	1.916	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC(C#N)(C(=O)O)CC1	1590700985	BFKRBVSHPLOIOE-UHFFFAOYSA-N	322.814	1.272	50	20	DDGD	
N#C/C(=C\c1cccc(-c2nn[nH]n2)c1)C(=O)NC1CCCC1	1592662469	OBWQCGCOWAEAMO-UKTHLTGXSA-N	308.345	1.832	50	20	DDGD	
CC(C)(CC(=O)O)CC(=O)NNCC(F)(F)C(F)(F)F	1590635074	IPLHQXHGHCABMV-UHFFFAOYSA-N	306.231	1.696	50	20	DDGD	
O=C(C[C@@H]1OCc2ccccc21)NNc1ncccc1C(=O)O	1594679045	UTHGWOJPZAXZCI-ZDUSSCGKSA-N	313.313	1.885	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1ccc(-c2nn[nH]n2)cc1	1593157722	GLUFAXOVYPMADZ-UHFFFAOYSA-N	315.337	1.210	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1cc(F)cc(F)c1O	1595261439	ASKUBNUPLGBWDL-UHFFFAOYSA-N	309.228	1.521	50	20	DDGD	
CO[C@@H](C(=O)O)C(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	1593905755	RTTOQPNEZKPLSI-GHMZBOCLSA-N	317.458	1.709	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cc(C(=O)O)cs1	1594643000	CAYPAGSYGZTYAX-HTRCEHHLSA-N	313.335	1.024	50	20	DDGD	
Cc1ccc(C=NNC(=O)Cc2cc(C)[nH]n2)c(C(=O)O)c1	1776028689	YKAWNLAZFSNKQI-UHFFFAOYSA-N	300.318	1.418	50	20	DDGD	
O=C(NN=Cc1ccccc1C(=O)O)c1cn2c(n1)CCCC2	1776105569	RGFVFPLKYYOQQR-UHFFFAOYSA-N	312.329	1.682	50	20	DDGD	
CC(Cc1cnn(C)c1)=NNC(=O)Nc1ccc(C(=O)O)cc1	1776045073	MQTGWIJIUJCWSV-UHFFFAOYSA-N	315.333	1.858	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1c(F)cc(C(=O)O)cc1F	1776082238	DWTHSYWVVWSEHT-IONNQARKSA-N	312.272	1.538	50	20	DDGD	
CC(C)[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl	1796804571	LZIDWWICVPHFFH-IYKVGLELSA-N	320.792	1.176	50	20	DDGD	
O=C1NC(=O)c2ccccc2/C1=C\NNC(=O)c1ccccc1	16721147	UDFVECRZXISBEZ-GXDHUFHOSA-N	307.309	1.232	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2Cc3cc(F)ccc3O2)n1	151027776	SGSBNNFCLUGFKS-ZDUSSCGKSA-N	302.309	1.679	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)C(C)(C)C2CCCC2)n1	155536486	WIAIVWRSHPNIMH-UHFFFAOYSA-N	306.410	1.864	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1cccc(NC(=O)N(C)C)c1	157502518	DJWWDXAOHBTJIU-QBFSEMIESA-N	316.361	1.840	50	20	DDGD	
COc1cccc(CCNS(=O)(=O)CBr)c1	227978371	HBYPWPQWJZINPR-UHFFFAOYSA-N	308.197	1.510	50	20	DDGD	
C[C@@H]1CO[C@@H](CO)CN1S(=O)(=O)c1ccc(CCl)cc1	380024318	UVXAASDGVQIYAZ-ZYHUDNBSSA-N	319.810	1.196	50	20	DDGD	
COC(=O)[C@@H](C)N(Cc1ccccc1)S(=O)(=O)CCl	831421396	SLOXGOYLVVFREN-SNVBAGLBSA-N	305.783	1.576	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccccn2)c1C	6983894	OJWCPGZWNKPUBT-CYBMUJFWSA-N	313.357	1.927	50	20	DDGD	
Cc1cc(NNC(=O)CCn2c(C)c(C)sc2=O)ncn1	172716197	GHNKHDIWOUGRKW-UHFFFAOYSA-N	307.379	1.158	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNC(=O)c2cccc(C#N)c2)cn1	103437018	QKNWCCCEDASTAP-UHFFFAOYSA-N	311.345	1.585	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNC(=O)Cc2ccccc2F)[nH]n1	108996064	JOFGOBHERPGRIY-UHFFFAOYSA-N	318.352	1.850	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NC2CCCC2)[nH]c2c1C(=O)CCC2	65920357	LAPBBWLBRJLONL-UHFFFAOYSA-N	318.377	1.729	50	20	DDGD	
CN(C)CCN1CCN(C(=O)c2cccc(CCl)c2)CC1	61643966	IKYMWEZPLDQDLR-UHFFFAOYSA-N	309.841	1.745	50	20	DDGD	
COc1ccc(OC)c(CC(=O)NNc2ccc(Cl)nn2)c1	118499542	MFLWRRPLXKJIRW-UHFFFAOYSA-N	322.752	1.833	50	20	DDGD	
CC[C@H](Sc1ccccc1)C(=O)NNC(=O)c1cnn(C)c1	117680270	VQYPSUSZYQUNKA-ZDUSSCGKSA-N	318.402	1.752	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccccc1-n1cccn1	64883112	DCRIAXBCKJKVCM-UHFFFAOYSA-N	301.350	1.616	50	20	DDGD	
O=C(CSC[C@@H]1CCCCO1)NNc1ncc(F)cn1	123274611	XQUSGYDPVCBQDC-JTQLQIEISA-N	300.359	1.361	50	20	DDGD	
C=CCOc1ccc(/C=C/C(=O)NNC(=O)NCC)cc1OC	65191024	SFBSKFAOGXAZCI-VQHVLOKHSA-N	319.361	1.624	50	20	DDGD	
C#CCCCNC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	174103484	WUHPSXLSFBDMCC-UHFFFAOYSA-N	303.366	1.502	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cn1	24459968	OHVSQLIGQHZQTO-UHFFFAOYSA-N	313.144	1.802	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccnc(-n3ccnc3)c2)o1	176215630	KVIYTBOTBAWFDQ-UHFFFAOYSA-N	311.301	1.244	50	20	DDGD	
Cc1cc(NNC(=O)CNC(=O)c2cccs2)nc(C)n1	129013415	CSXWYBVOVWAWGK-UHFFFAOYSA-N	305.363	1.028	50	20	DDGD	
O=C(NNc1ncccc1Cl)c1ccc(N2CCCC2)nn1	114884920	BBUJXFSZGSLJEA-UHFFFAOYSA-N	318.768	1.882	50	20	DDGD	
C/C=C/C=C/C(=O)NNC(=O)COc1ccccc1OCC	68976464	PGPSBKZYUFBEOB-JFDBYLHYSA-N	304.346	1.744	50	20	DDGD	
Cc1ccnc(NNC(=O)CN2C(=O)c3ccccc3C2=O)c1	176781526	SQWUSAKKUPJRPC-UHFFFAOYSA-N	310.313	1.129	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cnc2ccc(F)cc2c1	179355675	CDJKSXXFLIDVPW-UHFFFAOYSA-N	312.304	1.787	50	20	DDGD	
Cc1nnc(NNC(=O)c2csc3c2CC[C@@H](C)C3)nc1O	23310113	GIJVRBKRPMGXKS-SSDOTTSWSA-N	319.390	1.829	50	20	DDGD	
Cc1csc(NC(=O)C(=O)NNc2ccccc2[N+](=O)[O-])n1	186212987	CSJBOOFRTVGHKZ-UHFFFAOYSA-N	321.318	1.442	50	20	DDGD	
CS(=O)(=O)CCCC(=O)NNc1ccc2ccccc2n1	181081144	CUHNKADSGRVRPI-UHFFFAOYSA-N	307.375	1.503	50	20	DDGD	
CC(=O)N[C@@H](CC(C)C)C(=O)NNc1cccc([N+](=O)[O-])c1	180743980	FUZBURLJFIIHKT-ZDUSSCGKSA-N	308.338	1.589	50	20	DDGD	
O=S(=O)(CBr)N1CCO[C@H](c2ccco2)C1	367781627	BHIHUGDXWDQRAQ-VIFPVBQESA-N	310.169	1.335	50	20	DDGD	
CS[C@H](C)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	33224964	YUNPDSDKYFSLHI-RKDXNWHRSA-N	300.355	1.492	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1ccc(F)c(F)c1F	181404977	YEOJDAGIMRYXIK-UHFFFAOYSA-N	310.235	1.581	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cccc2c(C)c(C)[nH]c12	123039259	RVRAWASJGAJXSZ-UHFFFAOYSA-N	318.377	1.765	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)CC2(O)CCCC2)c1	72795937	JXIBSBZBLIKGFN-UHFFFAOYSA-N	320.389	1.525	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(OCc2noc(C)n2)cc1	39547639	KPHMBQGHKJOBCQ-UHFFFAOYSA-N	320.305	1.348	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C(C)(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	127220217	GYYZXTQXSQXKRE-UHFFFAOYSA-N	324.293	1.619	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNc1ccc2ccccc2n1	181120735	QHNOTUXOQTXRME-UHFFFAOYSA-N	302.334	1.813	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCC1(C)OCCO1	185649904	UDMYYZJSEZIMTD-UHFFFAOYSA-N	315.801	1.622	50	20	DDGD	
Cc1cc(F)ccc1S(=O)(=O)NNC(=O)c1ccccc1O	45866133	QZVYUHCVAGGFJT-UHFFFAOYSA-N	324.333	1.463	50	20	DDGD	
Cc1cccc(NNC(=O)CN2C(=O)NC3(CCCC3)C2=O)c1	192834346	YRDAUUNIPSPXIZ-UHFFFAOYSA-N	316.361	1.303	50	20	DDGD	
O=C(C[C@H]1CCS(=O)(=O)C1)NNc1ccccc1Cl	133247789	ZRAPXNTYFKGOHR-SECBINFHSA-N	302.783	1.608	50	20	DDGD	
O=C(Cc1ccccc1O)NNc1nc2ccccc2c(=O)[nH]1	137133375	QAPYTXWTWPVSOB-UHFFFAOYSA-N	310.313	1.315	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)C(C)(C)C)cc1F	194164769	CHLJRLRXVGWESV-UHFFFAOYSA-N	304.343	1.190	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C[C@H]1CCCCO1	86991126	FBYMQHURRWOHRN-BXUZGUMPSA-N	324.352	1.700	50	20	DDGD	
COc1csc(C(=O)NNC(=O)c2ccc(C)cc2O)c1	80066456	SVFFCCZDHMQGCR-UHFFFAOYSA-N	306.343	1.846	50	20	DDGD	
C[C@@H](CO[C@@H]1CCOC1)NC(=O)/C(C#N)=C\c1ccc(O)cc1	194735230	DWCLMBWZHBBQRA-HNHCUVKTSA-N	316.357	1.609	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)c1ccc[nH]1)c1ccccc1	193168251	DGZCBMQBQNZAMN-CYBMUJFWSA-N	302.334	1.346	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@@H]1CC12CCNCC2	238105785	XQBOVNCXTOANTP-LBPRGKRZSA-N	313.361	1.569	50	20	DDGD	
CC(=O)Nc1ccc(O)c(C(=O)NNC(=O)CC(C)(C)C)c1	264065743	WXLSAVWXUOUHMZ-UHFFFAOYSA-N	307.350	1.548	50	20	DDGD	
CC(=O)N1CCC[C@@H](C(=O)NNc2ncnc3ccsc23)C1	268925517	DODZPLNQGHLASO-SNVBAGLBSA-N	319.390	1.393	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)Nc1ccc2ncsc2c1	274071226	OCTZHAVAAPWLPA-UHFFFAOYSA-N	318.358	1.182	50	20	DDGD	
CNC(=O)NNC(=O)c1cnn(C(C)(C)C)c1-c1ccccc1	277107020	RAMOPCZDEKEMKP-UHFFFAOYSA-N	315.377	1.879	50	20	DDGD	
CCC(C)(C)N[C@H](C)C(=O)NNC(=O)Cc1ccccc1OC	274996527	NNODKQONCRJXMD-GFCCVEGCSA-N	321.421	1.552	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)CCCc2ccccc2)CCO1	271843224	BROPWZLAUGTQFP-DZGCQCFKSA-N	304.390	1.972	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNC(=O)N(C)C)cc1OC	272909309	LSIUSMRRLWOLAL-JTQLQIEISA-N	309.366	1.185	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2Cc3cc(F)ccc3O2)n1	365748892	KALRNWNELHJHHR-GFCCVEGCSA-N	318.308	1.380	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NNc1cccc(F)c1[N+](=O)[O-]	279220914	FPJSYTYIIBHJEA-UHFFFAOYSA-N	319.314	1.002	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C	275550785	GSEKWBCLMVHRPR-LBNDFQBJSA-N	318.377	1.427	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)C(C)(C)c2ccc(F)cc2)CC1	278717764	UEOPJYDFBOOSOL-UHFFFAOYSA-N	322.384	1.092	50	20	DDGD	
COC1(C(=O)NNC(=O)c2cc(-c3cccs3)n[nH]2)CCC1	272892370	WYZVPWDYEBFXGY-UHFFFAOYSA-N	320.374	1.468	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCCN2C2CC2)c(O)c1	278466228	BWETTWATOFWXTJ-CYBMUJFWSA-N	303.362	1.088	50	20	DDGD	
CS[C@H](C)CNC(=O)NNc1cccc(S(C)(=O)=O)c1	271898680	ITXZNSKMOSKGMP-SECBINFHSA-N	317.436	1.468	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@H]1CCO[C@H](C)C1	271816671	BXJCCHMWCKHNJR-NEPJUHHUSA-N	321.377	1.070	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2cnn(CC(C)C)c2)n1	281379006	MMPTVSVSKBDHEP-UHFFFAOYSA-N	316.365	1.709	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)C1CCC(O)CC1	281100898	CUYMUUYNSDAARR-UHFFFAOYSA-N	319.390	1.594	50	20	DDGD	
COc1cccc(C(=O)NCC(=O)NCCSSC)c1	284232758	VYCZZDSTXMQRMU-UHFFFAOYSA-N	314.432	1.552	50	20	DDGD	
CCNC(=O)CCCC(=O)NNc1ccc2c(O)nccc2c1	285847023	XZHKTEXGTKSTGX-UHFFFAOYSA-N	316.361	1.690	50	20	DDGD	
C[C@@]12CCC(=O)N1[C@@H](C(=O)NNc1cccc(F)n1)CS2	286675213	WJDOFNILQUTIBF-AMIZOPFISA-N	310.354	1.118	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCC(=O)N(CCC)CCC	280851477	AKUZQSKDSOVZDM-UHFFFAOYSA-N	314.455	1.097	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1cc[nH]c1C(C)C	803777584	HARZKHHIQXUBMJ-NSHDSACASA-N	323.393	1.877	50	20	DDGD	
O=C(NNC(=O)C1[C@@H]2CCC[C@@H]12)Nc1ccc2c(c1)OCO2	802106583	LFAFDCCLOJWFAJ-NXEZZACHSA-N	303.318	1.614	50	20	DDGD	
NC(=O)[C@H]1CCC[C@H](C(=O)NNc2nccnc2C2CCC2)C1	805464547	ZNZAAXMHJOMYQX-RYUDHWBXSA-N	317.393	1.479	50	20	DDGD	
Cc1cc(F)cc2c1CN(CC(=O)NNC(=O)C1CC1)CC2	800472596	UZHAAJFQZJMWBQ-UHFFFAOYSA-N	305.353	1.050	50	20	DDGD	
COc1ccc(OC)c(C(=O)NNC(=O)[C@H]2CCCCO2)c1	295321733	GPQJCLGZQRCVMG-CYBMUJFWSA-N	308.334	1.034	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2ccc(C)cc2)ccn1	806997556	OXQZSPDUPQBNGT-UHFFFAOYSA-N	300.318	1.480	50	20	DDGD	
C[C@](O)(CCc1ccccc1)C(=O)NNC(=O)c1ccccc1	801101731	LNMJUCBKJGMSRW-SFHVURJKSA-N	312.369	1.831	50	20	DDGD	
Cc1c[nH]cc1C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802120344	QCETZUCMSQNUQS-UHFFFAOYSA-N	301.350	1.856	50	20	DDGD	
Cc1ccc(CC(=O)NNc2ccc(-n3ccnc3)nn2)cn1	804951821	AOYBPACAPXAQFX-UHFFFAOYSA-N	309.333	1.052	50	20	DDGD	
CSSCCNC(=O)N(CCN(C)C)CCN(C)C	807230444	AXPYRQCDDJAKHD-UHFFFAOYSA-N	308.517	1.132	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cnc2ccc(F)cc2c1	295259852	BAIBTAKFJCLREZ-CQSZACIVSA-N	317.320	1.704	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)[C@@H]1OC[C@H]2COCC[C@H]21	290308870	CTTDRYONEZLWKX-XJKCOSOUSA-N	313.357	1.729	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CCCNC(=O)c1ccccc1	298078608	FVDAPMJDYHRJOA-UHFFFAOYSA-N	305.378	1.390	50	20	DDGD	
CC(C)Oc1ccccc1C(=O)NNC(=O)[C@H]1CCCCO1	295253221	AKKXQLUTUYFECW-CQSZACIVSA-N	306.362	1.804	50	20	DDGD	
CC(C)(C)C(=O)Nc1ccc(C(=O)NNC(=O)C2CCC2)cn1	294543234	IFDZYURRANMJEX-UHFFFAOYSA-N	318.377	1.627	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2oc(C(C)C)nc2C#N)[nH]1	814668766	BRLABTYSFSMSGC-UHFFFAOYSA-N	317.305	1.541	50	20	DDGD	
CCc1nn(C)c(OC)c1C=NNC(=O)c1cccc(C#N)c1	814835920	DMZLCOIMASPHLA-UHFFFAOYSA-N	311.345	1.627	50	20	DDGD	
CC(=NNC(=O)C(F)F)c1nnn(-c2ccc(C)cc2)c1C	814902344	SYXKSPWZJCRHEG-UHFFFAOYSA-N	307.304	1.989	50	20	DDGD	
CSC1(CNC(=O)NNc2ccc(C)nn2)CCN(C)CC1	811940899	VZAUAOKCDBDJAX-UHFFFAOYSA-N	324.454	1.239	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)COCc1ccccc1	812516579	SSDMMDVHXOMDCN-QWHCGFSZSA-N	308.378	1.269	50	20	DDGD	
Cn1nncc1NNC(=O)c1cnc(S)n1-c1ccccc1	816770283	QKJFFSHZUBTXFF-UHFFFAOYSA-N	315.362	1.046	50	20	DDGD	
CC(=NNC(=O)Nc1ccc2c(c1)OCO2)c1c[nH]nc1C	814993732	GTFDIRXCOFVLCU-UHFFFAOYSA-N	301.306	1.993	50	20	DDGD	
CCc1oc(C=NNC(=O)Cc2cc[nH]n2)cc1C(=O)OC	814957061	TWOFPNDIJJDCHE-UHFFFAOYSA-N	304.306	1.045	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)COc2cc(C)cc(C)c2)nc1	728855128	KUQFDTKWUQATOU-UHFFFAOYSA-N	323.352	1.520	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CSC[C@H]2CCCO2)cc1	727294526	DMIUFJRGCZTCOI-CYBMUJFWSA-N	308.403	1.668	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc(C)sc1C	726078089	BFIJSYHJGMEEGN-UHFFFAOYSA-N	315.464	1.853	50	20	DDGD	
CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCO1	823953908	VCXUMPREORYSOR-LBPRGKRZSA-N	300.322	1.151	50	20	DDGD	
Cc1cncc(CCC(=O)NNc2ccnc(N(C)C)n2)c1	825984707	JFWVCWIZDURCCH-UHFFFAOYSA-N	300.366	1.322	50	20	DDGD	
CCN1CCC(CNC(=O)/C(C#N)=C/c2cnn(C)c2)CC1	491046049	GKGQJPWZCDRDPA-OVCLIPMQSA-N	301.394	1.175	50	20	DDGD	
CO[C@]1(C)C[C@H](NC(=O)/C(C#N)=C/c2cnn(C)c2)C1(C)C	491044054	BEKVKNXZXHAMJZ-CWPOZZLXSA-N	302.378	1.647	50	20	DDGD	
COc1cccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)c1O	727282272	YDRRSLYSQZBAQV-QMMMGPOBSA-N	309.391	1.308	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(C#N)cc2)nn1C(C)C	822867903	PJETWJCIDYJFII-UHFFFAOYSA-N	311.345	1.719	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)N[C@@H]1CCC(F)(F)C1	823280905	IBTWOYYPPDFRHG-SNVBAGLBSA-N	323.307	1.681	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCc1ccc(C(N)=O)nc1	490881895	ZTKMVEVREBCRQW-QPEQYQDCSA-N	324.315	1.543	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)C(=O)c1ccc(Cl)cc1	727103574	REMAIKGLOHFOHD-UHFFFAOYSA-N	321.720	1.646	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)/C=C\c2cnccc2C)nc1	492424650	KERKVVYCSWPRBJ-XQRVVYSFSA-N	312.329	1.728	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(Br)cc1C#N	823918616	ZADSULGTKFNPFI-MRVPVSSYSA-N	312.167	1.278	50	20	DDGD	
CCOC(=O)c1cc(C(=O)NNc2cc(C)ncn2)[nH]c1C	825855674	YZHVDWWJARVBGU-UHFFFAOYSA-N	303.322	1.355	50	20	DDGD	
C=CCOCC(=O)NNC(=O)c1ccc(Cl)cc1Cl	729301588	PMCIOUNDRHUYFA-UHFFFAOYSA-N	303.145	1.957	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1C[C@@H](c2ccc(F)cc2)C[C@H]1C	827859753	MKJBYEMCKFBZEP-OCCSQVGLSA-N	321.396	1.807	50	20	DDGD	
COC(=O)N1CCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)CC1	497059792	YXHLCJQZYYTDOK-MKMNVTDBSA-N	316.317	1.843	50	20	DDGD	
C[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)CC[C@@H]1c1ccccc1	584953516	VYMZPRIYQKZRQS-KDOFPFPSSA-N	323.201	1.632	50	20	DDGD	
COCC(=O)NN[C@H](C(=O)OC)c1ccc(C(F)(F)F)cc1	905768987	YTZUKHCAFVOEKD-NSHDSACASA-N	320.267	1.187	50	20	DDGD	
N#CC1=CCN(C(=O)C2CCC(N3CCOCC3)CC2)CC1	901265321	GMKKOKBWGBVYCY-UHFFFAOYSA-N	303.406	1.560	50	20	DDGD	
COC[C@@H](C)C(C)=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	826148228	CQLUVCDNYYFJKD-SECBINFHSA-N	302.338	1.255	50	20	DDGD	
Cc1ccc(C)c(C2=NO[C@H](C(=O)NNc3cccnn3)C2)c1	907330100	PQDXTMVWVBEMTE-AWEZNQCLSA-N	311.345	1.730	50	20	DDGD	
COc1cc(NCc2ccc(B(O)O)cc2)cc(OC)c1OC	585013284	XNRWRJYLHUACSN-UHFFFAOYSA-N	317.150	1.004	50	20	DDGD	
CCCOc1ccc(/C=C/C(=O)N2CC[C@H](B(O)O)C2)cc1	585077717	TZXQPGBZNCVEOA-GPAKFWEMSA-N	303.167	1.564	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2cccc(C#N)c2)C[C@H]1Br	906565790	JIJXGQSMYAZMHX-ZWNOBZJWSA-N	322.162	1.493	50	20	DDGD	
CCCCNC(=O)NNC(=O)/C(C#N)=C\c1ccc(F)cc1	490847201	WWTIZCNLLPSPGL-XFXZXTDPSA-N	304.325	1.863	50	20	DDGD	
O=C(CCc1ccccc1O)NN=Cc1ccc(C(=O)O)o1	739259585	SQPWTXZKJAFACN-UHFFFAOYSA-N	302.286	1.766	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1c(F)cncc1F	901263230	VWDXEVALDLPBFQ-MFKMUULPSA-N	324.331	1.063	50	20	DDGD	
CCN(CC)[C@@H]1CCN(C(=O)/C(C#N)=C/c2cnn(C)c2)C1	491012772	SBZMLCIVSFCSMH-UJMHRVFCSA-N	301.394	1.270	50	20	DDGD	
O=C(Cc1cccs1)NNc1nc(-c2cccnc2)no1	732111025	XIYWOYCTKJHAFK-UHFFFAOYSA-N	301.331	1.879	50	20	DDGD	
Cc1c(C#N)cccc1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	831570715	JTEBVPWMOWYLES-ZYHUDNBSSA-N	302.334	1.444	50	20	DDGD	
O=C(C[C@@H]1CCOC1)NNC(=O)c1cnn(-c2ccccc2)c1	739568346	URUKDOKANPPXCW-LBPRGKRZSA-N	314.345	1.060	50	20	DDGD	
C#CCCCOC(=O)/C(C#N)=C/c1cc(-c2nn[nH]n2)n(C)c1C	735374382	BMCKCULQHOPYOW-MDWZMJQESA-N	324.344	1.377	50	20	DDGD	
CN(CC(=O)NNc1cnccn1)c1nc2ccccc2s1	734245465	FTTQBZMXLCMLMI-UHFFFAOYSA-N	314.374	1.666	50	20	DDGD	
CCC[C@H](CC(C)C)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	839226291	UCJVCTHVBMHLKL-KGLIPLIRSA-N	318.483	1.941	50	20	DDGD	
O=C(NNC(=O)c1cccc(OC(F)F)c1)NC(CF)CF	836276816	PQZHCKDXYFPJPG-UHFFFAOYSA-N	323.246	1.540	50	20	DDGD	
O=C(CN1CCC(Cc2ccccc2)CC1)NNC(=O)C1CC1	733194119	WISYIJZJSPKGNL-UHFFFAOYSA-N	315.417	1.499	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCc2cnc(C)o2)cc1	838758689	RAQKEVAURMPEPM-UHFFFAOYSA-N	302.334	1.690	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNC(=O)[C@@H](CC)c1ccccc1	839677681	UTBDWBZZBAMKPD-KBPBESRZSA-N	320.389	1.917	50	20	DDGD	
O=C(O)Nc1ccc(C(=O)NNc2ncnc3[nH]cnc23)cc1	832839064	PTMHBNXDLOLRML-UHFFFAOYSA-N	313.277	1.200	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(Br)nc2)n[nH]1	732837181	AKRXPQAKCCGCGW-UHFFFAOYSA-N	310.155	1.887	50	20	DDGD	
CC(C)(CCCc1ccccc1)C(=O)NNC(=O)c1ncon1	832826008	OTSVZMLEJHTNKW-UHFFFAOYSA-N	316.361	1.880	50	20	DDGD	
C[C@@]1(C(=O)NCCCN2CCC(O)CC2)C[C@@H]1Br	906740156	TYTPNIONLDMTQU-WCQYABFASA-N	319.243	1.123	50	20	DDGD	
CON1CCC(=NNC(=O)Cn2ccc3ccccc32)CC1	834957395	XYUSJNVHKIDCFW-UHFFFAOYSA-N	300.362	1.771	50	20	DDGD	
CCn1ccnc1[C@H](C)NC(=O)NNc1nc(C)cc(OC)n1	836628995	YRIARRKQCMRGSO-JTQLQIEISA-N	319.369	1.397	50	20	DDGD	
O=C(NN=C1CCc2cc(F)ccc21)[C@H]1CCS(=O)(=O)C1	734297085	SCIWGTCSPVNBSE-JTQLQIEISA-N	310.350	1.027	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCCN(C)C1CC1)c1ccccc1	732891612	OXDGCQIVZNRUMK-HNNXBMFYSA-N	318.421	1.605	50	20	DDGD	
CCc1ccc2c(c1)C(=NNC(=O)[C@H]1CCCCO1)C(=O)N2	834989072	PMBKXUJHVBIYJH-CYBMUJFWSA-N	301.346	1.591	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)[C@H]1CCCCO1	833246229	GFXUNIFVCFHZFT-MPKXVKKWSA-N	324.327	1.785	50	20	DDGD	
CC(C)(C)CCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	735602310	CXPRULTYIJPISX-UHFFFAOYSA-N	316.365	1.454	50	20	DDGD	
CCC[C@@H](CNC(=O)NNC(=O)c1cccc(C#N)c1)OC	836275967	COXOYEHPAKMCOC-ZDUSSCGKSA-N	304.350	1.317	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1c(Cl)nc2ccccn12	737434815	QEBIFWBPBVUSOS-UHFFFAOYSA-N	321.768	1.754	50	20	DDGD	
CCO[C@@H]1COC[C@H]1NC(=O)[C@@H](Br)C(C)(C)C	837093380	ZSBBFPQQGZKCAF-OPRDCNLKSA-N	308.216	1.716	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)CCC(C)(F)F	916737163	JTKAMSWHLIFXMX-UHFFFAOYSA-N	310.304	1.839	50	20	DDGD	
O=C1COc2ccc(C=NNC(=O)[C@H]3CCCCO3)cc2N1	834987257	VKJOTZKOPDUQBX-CYBMUJFWSA-N	303.318	1.037	50	20	DDGD	
O=S(=O)(CCl)NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1	831196304	UVUOSBUPJWRXLA-SFYZADRCSA-N	309.737	1.586	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCC(C)(C)C#N)cc1F	838541611	FJVGWQRFUWFLOK-UHFFFAOYSA-N	308.313	1.788	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H](C)CN2CCOCC2)cc1	837535609	PVNIGPKZGRHDDC-ZDUSSCGKSA-N	322.409	1.432	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=C1CCNC(=O)CC1	834922395	QGRQBNQJUVRQMF-UHFFFAOYSA-N	303.362	1.400	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CCCCO2)c([N+](=O)[O-])cc1O	834988359	IZCJWEJNJACYNG-GFCCVEGCSA-N	323.305	1.328	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(OC)cc1OCC1CC1	837625732	VQRDPKYSXCFWDK-UHFFFAOYSA-N	308.378	1.707	50	20	DDGD	
O=C(NN=C1CCN(c2nccs2)CC1)[C@H]1CCCCO1	834986570	RAKQCSQLGZUUAE-GFCCVEGCSA-N	308.407	1.785	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2Cc3ccccc32)cc1	740749497	BCOXTYWNIYKDGG-MRXNPFEDSA-N	309.369	1.894	50	20	DDGD	
CN(CC(=O)NNC(=O)C(C)(C)C)Cc1cccc(Cl)c1	744383223	JNGBFDVJHYRBDU-UHFFFAOYSA-N	311.813	1.965	50	20	DDGD	
Cc1ccc(NCC(=O)NN=C2CCCc3c2cnn3C)cc1	915937113	JHYMMKRFPZVYNC-UHFFFAOYSA-N	311.389	1.997	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(OC(C)(C)C)cn1	843657113	BZFXDRYQZZVCQH-ZYHUDNBSSA-N	321.377	1.445	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=S)NC2(C)CCC2)c1	840702162	FCPMHVGRYKUCHJ-UHFFFAOYSA-N	307.419	1.812	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	843974404	KIVMZYJGKDCHLI-GXTWGEPZSA-N	318.373	1.530	50	20	DDGD	
CC[C@H](C#N)C(=O)NNC(=O)c1cc(-c2ccc(C)cc2)[nH]n1	845212346	YKNNIKNLAAJCQQ-LLVKDONJSA-N	311.345	1.696	50	20	DDGD	
Cc1ccc(C(C)(C)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	843646110	IIOAJRMVIJHNCP-GXTWGEPZSA-N	304.390	1.845	50	20	DDGD	
CO[C@@H]1CCCC[C@H]1NCC(=O)NNC(=O)c1cccc(C)c1	844406451	WJIBQFALLBVIOU-HUUCEWRRSA-N	319.405	1.303	50	20	DDGD	
CCn1ncc(C=NNC(=O)COc2cc(C)cc(C)c2)n1	841607317	RJLFEXXEEXVDRC-UHFFFAOYSA-N	301.350	1.444	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)[C@@H]2CCS(=O)(=O)N2)cc1	845930426	UHTNDOBLMBSISX-LBPRGKRZSA-N	311.407	1.119	50	20	DDGD	
CO[C@H](CS(=O)(=O)NNC(=O)C(C)(C)C)C1CCCCC1	849303733	JIJDVXRQACIFNR-GFCCVEGCSA-N	320.455	1.578	50	20	DDGD	
C[C@H]1CCCC[C@@H]1NC(=S)NNC(=O)Cc1ccncc1	747673155	VQTNMXIBIWTJEB-AAEUAGOBSA-N	306.435	1.698	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccccc1N(C)C(=O)C1CC1	918690738	REQUBAHPHCKSQW-UHFFFAOYSA-N	305.334	1.450	50	20	DDGD	
O=C(NNc1cccnc1Cl)[C@@H]1CCCN1c1ncccn1	840480153	REQTYVKDBGNZLF-NSHDSACASA-N	318.768	1.637	50	20	DDGD	
CC(C)NC(=O)[C@H](C)NC(=O)[C@H](Br)C(C)(C)C	840546498	MLTCNEXMYJSCAZ-IUCAKERBSA-N	307.232	1.825	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCC1(N)CCCCC1	841922742	OJFKHIUDWQUCBM-UHFFFAOYSA-N	320.393	1.301	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCSCc1ccccc1	843654377	HNZVAVZHMGWNOH-OCCSQVGLSA-N	322.430	1.882	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)[C@H]2COc3ccccc3O2)s1	748778200	GIVSFQMDPMLGFY-CQSZACIVSA-N	313.338	1.910	50	20	DDGD	
CCc1n[nH]cc1C(=O)NNC(=O)Cc1c[nH]c2ccccc12	917919003	LJFTYQYIEYFECQ-UHFFFAOYSA-N	311.345	1.457	50	20	DDGD	
NC[C@@H](NC(=O)NNC(=O)CC(F)(F)F)C1CCCCC1	841938887	CBIHWMXIDKWEJE-SECBINFHSA-N	310.320	1.177	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)CN2CCCC2=O)s1	913731253	AOYGKOWWXHXYHM-UHFFFAOYSA-N	323.418	1.429	50	20	DDGD	
COc1cccc(C2(C(=O)NN(C)C[C@H](C)O)CCCC2)c1	910168264	QKFXQVBZJFVHCL-ZDUSSCGKSA-N	306.406	1.851	50	20	DDGD	
Cc1ccnc2ccc(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)cc12	843659933	ZDPWJHVCFMYJOD-AAEUAGOBSA-N	313.357	1.729	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2c2ccncc2)o1	845736925	DZBJQCCGNAOUKZ-OCCSQVGLSA-N	315.329	1.522	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=C1CCC[C@H](c2ccnn2C)C1	842557051	CUVNCPZPUCJFMI-SGMGOOAPSA-N	304.394	1.975	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)[C@@H]1CCc2nnnn2CC1	845953906	QWZUCXXUVBDEHR-SNVBAGLBSA-N	304.329	1.216	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=S)NC2(C)CCC2)cc1	840702228	QDBGSSOVPKNMNB-UHFFFAOYSA-N	307.419	1.812	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1cccc([N+](=O)[O-])c1	843657923	QKRAVSMQYODICZ-OPQQBVKSSA-N	321.333	1.271	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C[C@H](OC)[C@@H]1CCOC1	841602666	HTFUGILKNJOAGL-DOMZBBRYSA-N	321.377	1.261	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNc1nc2ccccc2c(=O)n1C	841395389	IYKDHIDZNARHRO-ZDUSSCGKSA-N	318.377	1.438	50	20	DDGD	
CC(C)[C@H]1C[C@H](CC(=O)NNC(=O)c2ncccn2)CCO1	841350952	WLZLNAFVYSLWLK-VXGBXAGGSA-N	306.366	1.079	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2ncnn2C)o1	842525411	RLWCBTRSZUSHPH-UHFFFAOYSA-N	304.354	1.014	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCC(=O)N(CC)c1ccccc1	927689921	POFYULHNYHVJDV-OUKQBFOZSA-N	301.346	1.600	50	20	DDGD	
CN(Cc1ccc(C#N)cc1)C(=O)NNC(=O)C1CCCC1	753334664	JFDSVMOGFUWURS-UHFFFAOYSA-N	300.362	1.921	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	857092998	PAOHATKJMWIXII-GBIKHYSHSA-N	317.227	1.535	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2ccc(F)c(F)c2)[C@H]1OC	922068418	ISZYLAGPGGCOLQ-YNEHKIRRSA-N	315.320	1.783	50	20	DDGD	
Cn1nc(C(=O)NC[C@@]2(C)C[C@H]2Br)cc1Cl	857385965	ODNPHOYLVQRMSJ-GMSGAONNSA-N	306.591	1.977	50	20	DDGD	
Cn1nnc2cc(C(=O)NC[C@@]3(C)C[C@@H]3Br)ccc21	857398917	UICKNOOGBXBNMU-WCQYABFASA-N	323.194	1.872	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)C(C)C)Oc1cccc(F)c1	753344846	AECSTKSMWOZHMG-LBPRGKRZSA-N	311.357	1.970	50	20	DDGD	
N#Cc1ccc(C(=O)NN=Cc2cn(-c3ccccc3)nn2)cc1	755675243	PSZPFZFESKADDX-UHFFFAOYSA-N	316.324	1.903	50	20	DDGD	
CC(=O)N[C@@H](CCC(C)C)C(=O)NNc1cc(C)nc(C)n1	857129631	ADOITDQIZKFGLN-ZDUSSCGKSA-N	307.398	1.477	50	20	DDGD	
O=C1C[C@@H](CC(=O)OC[C@H](CBr)C2CC2)CO1	859597258	GUQKGKNGZPPGSC-WPRPVWTQSA-N	305.168	1.904	50	20	DDGD	
COCCOCCN(C)C(=O)NC[C@@]1(C)C[C@H]1Br	856958878	PBJZNSCOFBTSEN-ZYHUDNBSSA-N	323.231	1.464	50	20	DDGD	
COc1ccccc1C(=O)NN[C@H](Cc1ccccc1)C(N)=O	758148172	PAAWGEQTEMPJQK-CQSZACIVSA-N	313.357	1.026	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=C1CN(C)C[C@H]1C	752163637	JBKUYIBTRUCIJE-GFCCVEGCSA-N	313.405	1.652	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccnc(Cl)c2)c(C)n1	855465544	RSZCMBWVWCZTAN-UHFFFAOYSA-N	309.757	1.643	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@@H](C)N2CCSCC2)o1	750857612	YWCLXCPNHSNAOB-SNVBAGLBSA-N	323.422	1.550	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CN2CC[C@H]3C[C@H]3C2)cc1C	852633696	CSJITRSPDKMQHJ-RYUDHWBXSA-N	321.446	1.722	50	20	DDGD	
N#C/C(=C\c1cn(CC(=O)O)nn1)c1ccc2ccccc2n1	759075155	GMQPJBRCRZDDOS-KPKJPENVSA-N	305.297	1.975	50	20	DDGD	
O=C(NNC(=O)c1cccc2nc(O)oc12)c1ccccc1F	751541072	QBIZWPDSEZFVLC-UHFFFAOYSA-N	315.260	1.747	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNc1ncc(Cl)cn1	857355949	PXZBPZZJDRNCQL-UHFFFAOYSA-N	313.789	1.516	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCCC[C@H]1[C@@H](C)CO	852426355	PJRWTYPKYHQNRG-IHRRRGAJSA-N	313.442	1.051	50	20	DDGD	
CC[C@@](C)(NC(=O)NNC(=O)c1ncccn1)C(F)(F)F	933512662	SPINZTNEJLKKQB-SNVBAGLBSA-N	305.260	1.152	50	20	DDGD	
CC(Cn1cncn1)=NNC(=O)C(=O)Nc1ccc(C)c(C)c1	853280610	MLQASQALZCUEBF-UHFFFAOYSA-N	314.349	1.026	50	20	DDGD	
COCC1(C)CN(C(=O)NC[C@@]2(C)C[C@H]2Br)C1	856954244	HTLBIPZDKWTBBN-BXKDBHETSA-N	305.216	1.838	50	20	DDGD	
CNc1nc(C)cc(C(=O)NC[C@@]2(C)C[C@@H]2Br)n1	857391696	SMRSGBXQAGOUBQ-JOYOIKCWSA-N	313.199	1.730	50	20	DDGD	
N#Cc1ccccc1C=NNC(=O)[C@H]1COc2ccccc2O1	755485104	XEAGSUXUYINBHB-MRXNPFEDSA-N	307.309	1.848	50	20	DDGD	
Cc1c(NNC(=O)CC[C@]2(C)CCC(=O)N2)cccc1[N+](=O)[O-]	753429466	JRBBKGLYSRGMFT-HNNXBMFYSA-N	320.349	1.795	50	20	DDGD	
O=C(NNc1nc[nH]n1)[C@H]1CCCN1Cc1ccc(Cl)cc1	863916857	MBVNNPMLLDVVSI-GFCCVEGCSA-N	320.784	1.566	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCC(=O)N1)c1ccc([N+](=O)[O-])cc1Cl	863147187	AKZUOMRMYDVMOU-LLVKDONJSA-N	324.724	1.367	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C2CCCC[C@@H]2N2CCCCCC2)N1	863149063	QCLNNDLRQLWSFG-CABCVRRESA-N	320.437	1.556	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)c2cc(Cl)ccc2O)CCC1=O	763496905	NBUUNPJKFHJRQY-BDAKNGLRSA-N	324.764	1.812	50	20	DDGD	
O=C1NCCC[C@H]1C(=O)NNc1cc(C(F)(F)F)ccc1F	866946180	OORLSSMMGBSHHK-MRVPVSSYSA-N	319.258	1.814	50	20	DDGD	
CC(C)(C)Oc1ccc(C(=O)NNC(=O)c2cn[nH]c2)cc1	862471966	DLIVYWJULDPHBU-UHFFFAOYSA-N	302.334	1.662	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(F)c(F)c1N(C)C	863085160	WPMFOXUJXUVQDY-UHFFFAOYSA-N	314.336	1.700	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1cc(O)nc2c1CCCC2	935961302	AUFLYGLQHUQEKI-UHFFFAOYSA-N	302.309	1.957	50	20	DDGD	
O=C1N[C@@H](C(=O)NNc2cc(Cl)ccc2[N+](=O)[O-])CCO1	861887816	YVZXRDRUNURAOP-SSDOTTSWSA-N	314.685	1.190	50	20	DDGD	
O=Cc1ccc(C(=O)NNCC(F)(F)C(F)(F)F)s1	869455004	MOARJVPGVQXJKJ-UHFFFAOYSA-N	302.224	1.993	50	20	DDGD	
CC(=O)N1CCc2c(NC(=O)NNC(=O)C(C)C)cccc21	769254597	VVCQABHLRIGERD-UHFFFAOYSA-N	304.350	1.404	50	20	DDGD	
COc1cccc([C@H](O)C(=O)NNC(=O)c2ccccc2F)c1	764587959	AOLFZYDGXYDUDL-AWEZNQCLSA-N	318.304	1.329	50	20	DDGD	
O=C(NNC(=O)N1CCC2(CCSCC2)CC1)c1cn[nH]c1	868801752	IAYNNHYHLOVEGF-UHFFFAOYSA-N	323.422	1.373	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1csc([N+](=O)[O-])c1	768865407	ANMAROXAKNWUGK-UHFFFAOYSA-N	307.353	1.012	50	20	DDGD	
CCN(C)C(=O)c1cccc(NCc2cccc(B(O)O)c2)c1	864038630	XIPDXJGDXQUJIE-UHFFFAOYSA-N	312.178	1.070	50	20	DDGD	
CCCCNC(=O)NN=C1C(=O)N(C)c2cc(N(C)C)ccc21	761801001	SPMNMEOYQQFNSJ-UHFFFAOYSA-N	317.393	1.532	50	20	DDGD	
Cc1ccc(CO[C@H](C)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	862095223	JCZBYIXYBUTMHN-UMVBOHGHSA-N	320.389	1.473	50	20	DDGD	
COCCCCNC(=O)NNc1ccccc1S(C)(=O)=O	765656493	ILISBSLIDCFHIY-UHFFFAOYSA-N	315.395	1.143	50	20	DDGD	
O=C(CSc1nncs1)NNc1cnc2ccccc2n1	765989399	DDOZSUKUGXHGDI-UHFFFAOYSA-N	318.387	1.717	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C1CCc2ccc(Cl)cc21	863187895	UDEHOVXOGPQGQG-UHFFFAOYSA-N	300.767	1.151	50	20	DDGD	
CCOC(=O)c1nn(C)cc1C=NNC(=O)CC1CCCC1	769779674	HFWFGQFKFBVNLK-UHFFFAOYSA-N	306.366	1.627	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	861567228	CUCDEBFWNNLNJJ-GFCCVEGCSA-N	323.349	1.773	50	20	DDGD	
CSC[C@@H]1CCCN1[C@@H](C)C(=O)NNC(=O)CC(C)C	767905935	KKYCBJRUFZDNRX-RYUDHWBXSA-N	301.456	1.396	50	20	DDGD	
CCOCC(=O)NN=C(C)c1ccc(OCC)c([N+](=O)[O-])c1	765576629	OCMLCIVCEIHYTH-UHFFFAOYSA-N	309.322	1.870	50	20	DDGD	
O=C(NN=Cc1cc(F)ccc1O)[C@H]1COc2ccccc2O1	866016633	QMCBFIZBGXJOML-OAHLLOKOSA-N	316.288	1.821	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)OCC(=O)[C@H]2CCOC2)cc1	762840713	SRYOWKWYAHNNLQ-IAOKNECISA-N	315.325	1.751	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1ccco1)c1ccc2c(c1)OCO2	863852286	WCSGNPSCUNJPDE-GHMZBOCLSA-N	314.297	1.573	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](C)[C@@H](OC)c1ccccc1F	875462227	IZCJPKNWKOABTN-BXKDBHETSA-N	313.329	1.814	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1cnc(C2CC2)[nH]1	1116261294	UXGZUFDJBHFDEC-UHFFFAOYSA-N	309.329	1.843	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2CCC(=O)C2)c(C)c1	873760226	NWQNFHVNIQPZRD-NSHDSACASA-N	305.403	1.990	50	20	DDGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)C2(C)COC2)cc1	874949420	OMTYHFRCCWZDAS-UHFFFAOYSA-N	323.418	1.828	50	20	DDGD	
Cc1cc(C)c(CC(=O)NNC(=O)c2c[nH]nc2C)c(C)c1	773345590	YMZDLMNTFOHUKQ-UHFFFAOYSA-N	300.362	1.647	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)C2CCCC2)sc1C	773231406	NOKNDGHKMQBTEX-UHFFFAOYSA-N	302.421	1.865	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)COC1(C)CCC1	773036672	OUEWLVOOHCOPHJ-UHFFFAOYSA-N	306.362	1.344	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCCC(=O)OC(C)(C)C	1118210053	WGTQFENEVVHTMY-UHFFFAOYSA-N	301.412	1.180	50	20	DDGD	
CN(C)CC1(C(=O)NNC(=O)c2cc(Cl)ccc2O)CC1	878020795	UVZAOUZOQWCUBM-UHFFFAOYSA-N	311.769	1.148	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)CCCC(N)=O)c1	874947338	INLWSVUEOMTJHH-UHFFFAOYSA-N	312.370	1.107	50	20	DDGD	
COCCn1cc(C(=O)NNc2cc(Cl)ccn2)ccc1=O	778451052	HNOJTPUTIIWFTL-UHFFFAOYSA-N	322.752	1.300	50	20	DDGD	
Cc1n[nH]c(C)c1C[C@H](C)C(=O)NNC(=O)c1ccccn1	1116170009	PMPQLQYHOSIIFC-VIFPVBQESA-N	301.350	1.061	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)c1cncn1-c1ccccc1	1116650714	DFWNODVORBBADG-UHFFFAOYSA-N	324.344	1.164	50	20	DDGD	
CN(C)S(=O)(=O)c1cccc(C(=O)NNc2ccccn2)c1	777471599	RWOMGCQXKFADHC-UHFFFAOYSA-N	320.374	1.089	50	20	DDGD	
C[C@H](CBr)COC(=O)CCN1C(=O)CCC1=O	770315881	BUIDYTGUHXDEFB-MRVPVSSYSA-N	306.156	1.100	50	20	DDGD	
CN(CC(=O)NNc1ccc(C(F)(F)F)cn1)C(=O)C1CC1	775255824	ZOTCCCJHWHTHBK-UHFFFAOYSA-N	316.283	1.412	50	20	DDGD	
CC(C)Cn1ccc(C(=O)NNC(=O)CCc2ccccc2)n1	888629054	KKBIBYLUCUDPGH-UHFFFAOYSA-N	314.389	1.933	50	20	DDGD	
CC[C@@H](F)C(=O)NNC(=O)CSc1ccccc1OC	1120625375	DFDLBAGHQUXWQP-SECBINFHSA-N	300.355	1.683	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cnc([C@@H]2CCCO2)s1	887145703	OKHCSFMGHLQUKO-JTQLQIEISA-N	307.375	1.559	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNc2nccnc2C(C)C)C1	772889897	FMSLVFXPLPNKBC-LLVKDONJSA-N	305.382	1.302	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@H](F)Cc2ccccc2)n1	778505639	HSFKBIBDKNSCQT-GFCCVEGCSA-N	303.341	1.567	50	20	DDGD	
O=C(NCC[C@H]1C[C@H]2CC[C@H]1C2)NNC(=O)c1cccnn1	883151530	PEKOILQHMCASAT-SRVKXCTJSA-N	303.366	1.247	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1O	882050819	IQEXYFQZLDIDLV-WCQGTBRESA-N	302.330	1.077	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H](C(=O)NNC(=O)C2CCOCC2)C1(C)C	883068684	FAKDDIAPMVAMCH-PWSUYJOCSA-N	310.394	1.202	50	20	DDGD	
COCC(=O)Nc1ccc(NC(=O)NNC(=O)C2CCC2)cc1	782548630	INCATYBBXCISMX-UHFFFAOYSA-N	320.349	1.224	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1CCCN1Cc1ccccc1	887142117	WTSNNOYHTDMUFB-MRXNPFEDSA-N	313.401	1.602	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@]1(C)COc2ccccc2O1	887152102	WPZGJQARTCZCGO-INIZCTEOSA-N	302.330	1.167	50	20	DDGD	
Cc1ccc(C(F)(F)C(=O)NNC(=O)C2CCOCC2)cc1	883067971	CKHAQSKOWCROQQ-UHFFFAOYSA-N	312.316	1.661	50	20	DDGD	
CN(NC(=O)C(=O)Nc1cccc(OCC#N)c1)c1ccccc1	783434253	GPEIDNZXQGAUHO-UHFFFAOYSA-N	324.340	1.695	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)Cc2ccncc2)c(Cl)n1	1123429041	MDCUUTRFHIQINY-UHFFFAOYSA-N	319.752	1.834	50	20	DDGD	
Cc1ccccc1CCN(C)C(=O)NNC(=O)c1cccnn1	883852931	YIPGMXIFAMINLP-UHFFFAOYSA-N	313.361	1.314	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1occc1Br	883065437	LBVWYQGPNDIJSE-UHFFFAOYSA-N	317.139	1.230	50	20	DDGD	
CN1C(=O)CN(S(=O)(=O)CCCCl)c2ccccc21	881963373	AUNREOZPRYFFEQ-UHFFFAOYSA-N	302.783	1.428	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1csc(-c2ncccc2F)n1	780708825	KBWFMSKNIDOVGD-UHFFFAOYSA-N	323.353	1.650	50	20	DDGD	
Cc1nonc1C(=O)NNc1nnc(-c2ccccn2)s1	788563503	GWHMRHBJSMFJMX-UHFFFAOYSA-N	303.307	1.048	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCC(=O)NCC(=O)c1cccs1	786681182	SZMYCZHAUJIYJO-WDZFZDKYSA-N	318.354	1.450	50	20	DDGD	
CCc1nc(NC(=O)C(=O)NNc2ccccn2)sc1C	789720081	GHFWIJJDUSQRFC-UHFFFAOYSA-N	305.363	1.491	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cc3[nH]ccc3cc2C)nn1	783952075	ZXIPTDZQNYTADG-UHFFFAOYSA-N	324.344	1.657	50	20	DDGD	
O=C(CCCc1ccsc1)NNC(=O)Cc1ccncc1	783057087	MGZRFJQHGIRENA-UHFFFAOYSA-N	303.387	1.856	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNC(=S)NC(C)(C)C	899996896	XSQZDCOPYSGJBR-QMMMGPOBSA-N	311.455	1.814	50	20	DDGD	
CC(C)(C)c1cnc(NC(=O)C(=O)NNC(=O)C2CCC2)s1	789735256	WVLADDOMHFPWFA-UHFFFAOYSA-N	324.406	1.327	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)Cc1cccnc1Cl	899999363	KBRSTOWXFXWRDF-UHFFFAOYSA-N	300.815	1.571	50	20	DDGD	
C#CCC1(C(=O)O[C@@H](C)C(=O)NNC(=O)CC)CCCCC1	788217440	GFROVDGVDQDUET-LBPRGKRZSA-N	308.378	1.449	50	20	DDGD	
CCN(CC)C(=O)c1ccc(C(=O)NN=c2cc[nH]cc2)cc1	780753802	OGZVXJDKCCQUDU-UHFFFAOYSA-N	312.373	1.742	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC1(OC)CCCCCC1	898940445	LNYJNFBHZYIXLF-UHFFFAOYSA-N	301.387	1.093	50	20	DDGD	
C[C@H]1CC[C@H](NC(=O)NNC(=O)COc2ccc(F)cc2)C1	780788680	ZJVHJKXNHBULIC-JQWIXIFHSA-N	309.341	1.724	50	20	DDGD	
COC(=O)NNC(=O)[C@@H](CC(C)C)N1Cc2ccccc2C1=O	891772402	NBCXRGBUYKDQOD-CYBMUJFWSA-N	319.361	1.444	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(N(C)C(C)C)nc1	790166953	FVEXUEGFGMYPJN-CYBMUJFWSA-N	322.409	1.428	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NCCN1CC[C@H](C)C1	897443722	ZMLPQVVFLCGCOM-ZDUSSCGKSA-N	318.421	1.210	50	20	DDGD	
O=C(NNc1cccc2c1CCCC2)c1cccn2nnnc12	897151312	WKRKIBHOZMRVQR-UHFFFAOYSA-N	308.345	1.760	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2ccc3c[nH]nc3c2)n1	793600729	YEAPAEPPPVKCQS-UHFFFAOYSA-N	312.333	1.356	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cc2c(nc1O)CCCC2=O	791215811	CNOPJUCNDGMIBB-UHFFFAOYSA-N	312.329	1.767	50	20	DDGD	
C=C(CBr)COC(=O)CS(=O)(=O)C(C)(C)C	795581044	WZAYNERXVWHQIU-UHFFFAOYSA-N	313.213	1.694	50	20	DDGD	
CCn1c(NNC(=O)COC(F)F)nc2ccccc2c1=O	795020755	QVYNCAAKPBMYLW-UHFFFAOYSA-N	312.276	1.099	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)NCC(F)(F)F)n(C)n1	798314497	NWHMURLLNRQJLM-UHFFFAOYSA-N	307.276	1.050	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2c[nH]c3cccnc23)c1	791195723	UICWXEBSAOWTAT-UHFFFAOYSA-N	324.340	1.711	50	20	DDGD	
C[N+](C)(C)CC(=O)NN=Cc1ccccc1OC(F)(F)F	1317737639	ODYKGWSXFZFRIA-UHFFFAOYSA-O	304.292	1.742	50	20	DDGD	
COC(=O)C(=O)NN=C(C)Cc1ccc(C(F)(F)F)cc1	1319033570	UFVQHHNOWNKNEG-UHFFFAOYSA-N	302.252	1.913	50	20	DDGD	
C[C@H](CBr)CN1CCC[C@H](NS(C)(=O)=O)C1	186313605	XGENVSDMIBZYMR-ZJUUUORDSA-N	313.261	1.031	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(Br)nc2)nn1C	1325151288	RBDIMYNTKJFCGJ-UHFFFAOYSA-N	324.182	1.897	50	20	DDGD	
CCOc1cc(/C=C\C(=O)NNc2cccnn2)ccc1O	1320064315	RAZJXCPFFYHXAO-VURMDHGXSA-N	300.318	1.737	50	20	DDGD	
CC(F)(F)C1(C(=O)NNc2ccc(-n3ccnc3)nn2)CC1	1328890522	ONRFGYXRJJPZCG-UHFFFAOYSA-N	308.292	1.541	50	20	DDGD	
O=C(CO[C@H]1CCOC1)NNC(=O)Nc1ccc(Cl)cc1	1327172237	NQSFVWBDLJUGEC-NSHDSACASA-N	313.741	1.298	50	20	DDGD	
O=S(=O)(CBr)N1CCCC[C@H]1c1ncc[nH]1	272768867	DXVXXQKQISMXOT-QMMMGPOBSA-N	308.201	1.619	50	20	DDGD	
CCCN(CC(=O)NNC(=O)C1CC1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C	1322783523	CWHADWVQXVKDJG-BPLDGKMQSA-N	323.437	1.069	50	20	DDGD	
O=C(NNc1cccc(F)c1)C(=O)Nc1cnn(C2CCC2)c1	1337221591	ZILVPYRDUTURAJ-UHFFFAOYSA-N	317.324	1.829	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cnc3ccccc3c2)nn1	1338664984	JKYASDWVMQHRRG-UHFFFAOYSA-N	322.328	1.415	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	1338504105	GRMGUTBNIMLIHJ-NQBHXWOUSA-N	324.352	1.556	50	20	DDGD	
Cn1ccc(NNC(=O)c2c[nH]nc2-c2c(F)cccc2F)n1	1339437226	FAOLCHBGWREMAL-UHFFFAOYSA-N	318.287	1.845	50	20	DDGD	
O=C(NNC(=O)c1ncoc1[C@H]1CCCO1)OCC(F)(F)F	1334567677	XHKPOLOIUUAYEL-ZCFIWIBFSA-N	323.227	1.459	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NC[C@H]1CCCCCN1	1335713598	IIXPSCCTEIFDSA-OAHLLOKOSA-N	318.421	1.482	50	20	DDGD	
COCc1ncc(C(=O)NNC(=S)Nc2ccccn2)s1	1348987457	ZGJUKGHUORAYHQ-UHFFFAOYSA-N	323.403	1.316	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C(=O)c2ccc(O)cc2)cc1	1346326598	IXORCPGTLFUVOM-UHFFFAOYSA-N	314.297	1.045	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1cccc[n+]1[O-]	1340107256	YJTFVCQDSPZIKE-UHFFFAOYSA-N	305.265	1.003	50	20	DDGD	
C[C@]1(CCNC(=O)NNC(=O)C2CCNCC2)C[C@]1(F)Cl	1349580694	FFVLWQRETHHFGC-QWHCGFSZSA-N	320.796	1.021	50	20	DDGD	
Cc1cc(OC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)ccc1[N+](=O)[O-]	1343434249	RFIIQJNUOXZTIR-VHRBIJSZSA-N	307.302	1.860	50	20	DDGD	
CC[C@@H](C)n1nccc1C(=O)NNC(=O)c1cccc(F)n1	1352388459	QAQCCMXKUILSID-SECBINFHSA-N	305.313	1.463	50	20	DDGD	
O=C(O)CNC(=O)NN=C1CCc2cc(F)c(F)c(F)c21	1602071520	YOIPLXFVGHTGOX-UHFFFAOYSA-N	301.224	1.138	50	20	DDGD	
O=C(NN=C1CCCn2nc(C(=O)O)cc21)NC1CCCCC1	1608477932	PZAQFAUQEBTSPL-UHFFFAOYSA-N	319.365	1.711	50	20	DDGD	
CC[C@@H](C(=O)O)C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	1609886695	QWSXRUWOAVBPSP-SSDOTTSWSA-N	301.686	1.802	50	20	DDGD	
Cc1cc(O)ccc1CC(=O)NNc1cccc(-c2nn[nH]n2)c1	1605745270	SPXKXSDHAKLBQY-UHFFFAOYSA-N	324.344	1.567	50	20	DDGD	
CCn1ncc(C(=O)NNc2cccc(F)c2C(=O)O)c1C	1605940971	BBYRPWJKBVEAQM-UHFFFAOYSA-N	306.297	1.806	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1ccccc1OCC(F)(F)F	1602072115	PUJZNPNAICEKFQ-UHFFFAOYSA-N	319.239	1.345	50	20	DDGD	
C[C@@H](NC(=O)C1CCCC1)C(=O)NNc1cccc(C(=O)O)c1	1604265142	WSUIGGUQQASAPB-SNVBAGLBSA-N	319.361	1.523	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)Cc1ccc(C(=O)O)nc1	1607854981	HRCWRSDXEFXLBH-UHFFFAOYSA-N	303.293	1.913	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H]1C(=O)NNc1cncc(Br)c1	1606407745	JTPNECVDFWRGKA-RKDXNWHRSA-N	314.139	1.398	50	20	DDGD	
Cc1c(F)ccc(N)c1C(=O)NNc1ccc(C(=O)O)cn1	1600020437	DUPNTGKKZKUQMT-UHFFFAOYSA-N	304.281	1.566	50	20	DDGD	
O=C(O)c1cc(NNC(=O)c2cnn3ccccc23)ccc1F	1602287573	MGIWDXPLRRRSNH-UHFFFAOYSA-N	314.276	1.929	50	20	DDGD	
Cc1noc(CCCC(=O)NNc2cccc(C(=O)O)c2F)n1	1600811838	JZYJYELJKKAHRB-UHFFFAOYSA-N	322.296	1.681	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1cccc(C(=O)O)c1F)C(C)C	1609611981	PUDYWGRNASNCSZ-LBPRGKRZSA-N	311.313	1.128	50	20	DDGD	
COC1CCC(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)CC1	1549685221	OLQIOWIKLMQMDM-OOJKYFRXSA-N	309.410	1.157	50	20	DDGD	
O=C(NN=C1CCc2ccsc21)[C@H]1CN2CCC[C@@H]2CO1	1549321950	WLDGTPZMIYIVHV-DGCLKSJQSA-N	305.403	1.378	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)c(F)c1	1549903644	BLXHYDQZYGIVCA-DZGCQCFKSA-N	305.353	1.447	50	20	DDGD	
COc1cccc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)c1F	1549321094	PWPJUNKSXVVZGT-GXTWGEPZSA-N	321.352	1.148	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NC1(CO)CCNCC1	1575106357	MASVTPQDIWLSKQ-SECBINFHSA-N	307.232	1.027	50	20	DDGD	
CC[C@@H](C)C[C@@H](N)C(=O)NNC(=O)COc1ccc(F)cc1	1576983490	QPNCXYXJIBVYAC-ZWNOBZJWSA-N	311.357	1.115	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccc(-c2nn[nH]n2)cn1)C(C)(C)C	1589859364	RZQURSTXLGFVLF-VIFPVBQESA-N	318.385	1.570	50	20	DDGD	
C[C@@H]1SCC[C@H]1NC(=O)NNc1ccc(CC(=O)O)cc1	1594664500	QZYCYPFKQISQGN-JOYOIKCWSA-N	309.391	1.834	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNc2ncccc2C(=O)O)n1	1594421583	NDGQROSFTFMGKN-VIFPVBQESA-N	303.322	1.064	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)O)CCC1)Nc1cc(F)cc(F)c1	1594779435	RBUAENDQDBIZQW-UHFFFAOYSA-N	313.260	1.372	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2cccc(-c3nn[nH]n3)c2)[C@@H](C)O1	1590180167	DVDZISLSKWDCHG-DTWKUNHWSA-N	300.322	1.150	50	20	DDGD	
C[C@@]1(CNc2ncccc2-c2nn[nH]n2)C[C@H]1Br	1590136048	QDCXDFKEQWCWCR-KCJUWKMLSA-N	309.171	1.847	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cccc(OCC(=O)O)c2)nc1	1594623786	IEYBUGUXAISSPL-UHFFFAOYSA-N	312.285	1.174	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)C(=O)NNc1ccccc1C(=O)O	1592909050	OBCZFOKKLPOUJB-JTQLQIEISA-N	302.334	1.440	50	20	DDGD	
C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)C(Cl)Cl)C2)C1	1783951152	ZSISLJRNASWHHT-ZDUSSCGKSA-N	321.204	1.196	50	20	DDGD	
CC[C@H](C)CN(CC)CC(=O)NNC(=O)c1ccc(F)cc1	160551393	UNLALVQSOJVVKY-LBPRGKRZSA-N	309.385	1.955	50	20	DDGD	
CCC(CC)CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	164225765	JDYKPBOCQBQOGO-AWEZNQCLSA-N	306.362	1.800	50	20	DDGD	
CCC(=CC(=O)NNC(=O)[C@H]1COc2ccccc2O1)CC	164226575	MLRYNDZIHSGAIO-CQSZACIVSA-N	304.346	1.720	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(C)nc2)cc1OC	23401437	GEHFUUOPNMRMEV-UHFFFAOYSA-N	315.329	1.482	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc(Cl)cc1	154042291	YIHBNZMVMMFSKT-UHFFFAOYSA-N	303.840	1.812	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(-c3ccco3)on2)[nH]n1	153180273	ONWFAJBSDUVYGR-UHFFFAOYSA-N	301.262	1.041	50	20	DDGD	
O=C(NNC(=O)c1cccc2ncccc12)c1cccc(F)n1	153325846	XWUBIQQTBNPKPU-UHFFFAOYSA-N	310.288	1.844	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1ccc(C#N)cc1)C1CCCC1	155113449	QHISMKPSIKYQHP-HNNXBMFYSA-N	300.362	1.696	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CCCn2cccc2)c1	155741514	ADLDMJQDCSDWDT-UHFFFAOYSA-N	315.373	1.803	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1cccc(-c2nccs2)c1	157745345	GXGPCFHQVLIONL-UHFFFAOYSA-N	319.390	1.524	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)CCl)CC1	820786348	DHEDSOBMZUCKIS-UHFFFAOYSA-N	312.819	1.502	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cc3ccccc3[nH]2)n1	8300660	IPPYEQBBLQBHBF-UHFFFAOYSA-N	311.345	1.442	50	20	DDGD	
Cc1nccc(CNC(=O)NNc2cccc([N+](=O)[O-])c2)n1	57075640	SMQUJFYBIOPHPH-UHFFFAOYSA-N	302.294	1.520	50	20	DDGD	
O=C(NCCCOCCc1ccccc1)NNc1ncccn1	56981640	VESKXLCDFYCESQ-UHFFFAOYSA-N	315.377	1.752	50	20	DDGD	
O=C(NCc1ccc(F)cc1)C(=O)NNc1ccc(F)cc1	173032619	LECAZOFDZYOMAH-UHFFFAOYSA-N	305.284	1.724	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCOC1)c1cccc(C(F)(F)F)c1	105965261	NGIBLBHUXQCTPX-SECBINFHSA-N	302.252	1.503	50	20	DDGD	
C[C@H](OC[C@@H]1CCCCO1)C(=O)NNc1ccc(Cl)nn1	118504160	BXPFNFTZVPXDNN-UWVGGRQHSA-N	314.773	1.547	50	20	DDGD	
CCn1c(NNC(=O)c2cccnc2C)nc2ccccc2c1=O	108256469	VQDIEAWSXQHCQP-UHFFFAOYSA-N	323.356	1.877	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(C#N)cs2)nc1	179780096	UASMCVGYEMFGER-UHFFFAOYSA-N	302.315	1.558	50	20	DDGD	
COC(=O)[C@H](C)CNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	101888566	MMSBPRVTJKKKBU-YNHMVAKQSA-N	314.345	1.037	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1cccnc1)c1ccc(C#N)cc1	103513039	HSONNCVYKLJSIN-GFCCVEGCSA-N	323.356	1.587	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(NC(=O)NC(C)C)cc1	65189415	DLCWWIQLHUUEKM-UHFFFAOYSA-N	307.354	1.180	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F	116195001	QPLABLZAILJKCY-RKDXNWHRSA-N	320.299	1.561	50	20	DDGD	
O=C(Cc1ccc(C(F)(F)F)cc1)NNC(=O)NCC1CC1	65192807	WTYMOWNJKCXEGI-UHFFFAOYSA-N	315.295	1.988	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Cc1ccc2c(c1)CCC2	171511494	QRGXMQAVKYJZBH-UHFFFAOYSA-N	309.369	1.503	50	20	DDGD	
O=C(NNc1ccc(F)cc1)Nc1ccc2c(c1)C(=O)NC2=O	65772498	YIBBXZRLVJXIOX-UHFFFAOYSA-N	314.276	1.858	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1nc(C)cc(C)c1C#N	110103033	UNDAVOGMVCFINR-SNVBAGLBSA-N	306.391	1.608	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Cc2cccc(O)c2)c1	63535118	HHLZFXHCGRZMPP-UHFFFAOYSA-N	314.341	1.470	50	20	DDGD	
CCN1C[C@H](C(=O)NNC(=O)CCCc2ccccc2)CC1=O	68052834	FRBJSDKUJOWKII-CQSZACIVSA-N	317.389	1.025	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1ncnc2ccsc12	117549957	WAZXPCVCGPUHLB-ZETCQYMHSA-N	310.404	1.729	50	20	DDGD	
CCCN(CC)CCNC(=O)NNc1nc(C)cc(OC)n1	175766273	XGRQYCSOESWABM-UHFFFAOYSA-N	310.402	1.152	50	20	DDGD	
CC(C)N(CCCNC(=O)NNC(=O)c1ccc[nH]1)C(C)C	174352496	TUSVKKGAMMUGGZ-UHFFFAOYSA-N	309.414	1.468	50	20	DDGD	
O=C(COc1ccc([N+](=O)[O-])c(F)c1)NNc1ncccn1	63644102	QUXMFVKRIWCEMG-UHFFFAOYSA-N	307.241	1.046	50	20	DDGD	
C=CCNc1ncc(C(=O)NNc2ncnc3nc[nH]c23)s1	129115707	VOKFPHMHRKHKCU-UHFFFAOYSA-N	316.350	1.164	50	20	DDGD	
Cc1noc(C)c1C[C@@H](C)NC(=O)NNC(=O)CC(C)(C)C	128429027	NVIKEWWTCCXQRI-SECBINFHSA-N	310.398	1.989	50	20	DDGD	
Cc1cc(NNC(=O)CCc2nc(C(C)C)no2)nc(C)n1	128860259	GMZBCDMWYUMGAM-UHFFFAOYSA-N	304.354	1.676	50	20	DDGD	
O=S(=O)(NCCCOCCO)c1ccc(CCl)cc1	305982632	DBFLXNNIXAHSBK-UHFFFAOYSA-N	307.799	1.103	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1cc(C2CC2)[nH]c(=O)c1	184469068	WROKOACASQVUKT-UHFFFAOYSA-N	303.362	1.594	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	124700894	CKPUTUQMXUJIAU-BXKDBHETSA-N	314.382	1.882	50	20	DDGD	
COc1cccc(NNC(=O)c2c(F)cc(C#N)cc2F)n1	180694439	HFXLUHFXENWMEW-UHFFFAOYSA-N	304.256	1.997	50	20	DDGD	
CCc1ncsc1C(=O)NNC(=O)COCc1ccccc1	122018461	KGFFEUXUSDRARS-UHFFFAOYSA-N	319.386	1.683	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cccc3ncccc23)on1	124920312	HMRSMUIPMXNEQB-UHFFFAOYSA-N	312.285	1.306	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(CN(C)C)cc2)n1	180737379	MKZGQVLHJPETSY-UHFFFAOYSA-N	300.362	1.909	50	20	DDGD	
O=C(Cc1ccc2c(c1)OCO2)NNc1nnc(C2CC2)s1	184515616	JXESCMSUXCRQMM-UHFFFAOYSA-N	318.358	1.830	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1ccc(-n2cccn2)cc1	183508687	VPMQJEHULDDHMH-UHFFFAOYSA-N	310.317	1.667	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)[C@H]1COc2ccc(F)cc2C1	121113164	CYKKQVTTYMVRCZ-SECBINFHSA-N	322.727	1.964	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1nc2c(s1)COCC2	181952517	BDXGYEAKCGQQQK-UHFFFAOYSA-N	318.358	1.682	50	20	DDGD	
Cc1nn(C(C)(C)C)cc1C(=O)NNC(=O)c1ccccc1O	184147854	KWPLVSGFJXWVQP-UHFFFAOYSA-N	316.361	1.727	50	20	DDGD	
O=C(NNC(=O)C1(O)CCC1)c1c(Cl)cccc1Cl	185019254	IJELZKDJUCEDTL-UHFFFAOYSA-N	303.145	1.669	50	20	DDGD	
Cc1cc(C(=O)NN(C)C(N)=O)c(C)n1-c1ccc(F)cc1	181085328	WSPRXGXMCUCSQQ-UHFFFAOYSA-N	304.325	1.889	50	20	DDGD	
CCN1CCO[C@H](C(=O)NNc2nc3ccccc3cc2C)C1	181278065	GRKICKCCJUHPIO-HNNXBMFYSA-N	314.389	1.707	50	20	DDGD	
CN(CCCNC(=O)NNC(=O)C(C)(C)C)c1ccccc1	79224538	ZYBMPXQHKUHTBZ-UHFFFAOYSA-N	306.410	1.889	50	20	DDGD	
COc1ccnc(NNC(=O)CSCc2cccs2)n1	46363977	PKTXJNUFHCHERS-UHFFFAOYSA-N	310.404	1.923	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1	134686572	JGPGFIBROVKQDG-UHFFFAOYSA-N	314.729	1.992	50	20	DDGD	
O=C(Cn1ccc(C(F)(F)F)n1)NNC(=O)NC1CCCC1	42297661	WAYYKJUAALTQFO-UHFFFAOYSA-N	319.287	1.175	50	20	DDGD	
CC[C@@]1(C(=O)NNc2nc(-c3ccncc3)no2)CCCN1	134592081	QVGIJETYNBBEKV-AWEZNQCLSA-N	302.338	1.107	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNC(=O)c1ccc(Cl)cc1	194061332	JHLBWQOHFCNKDE-UHFFFAOYSA-N	306.753	1.684	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)on1	190052739	PGBWZBXVEIEKEF-UHFFFAOYSA-N	307.281	1.013	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2ccc(C)c(F)c2)ncn1	190137463	KSWWWZRJXDBGLS-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
CCOc1ncccc1CNC(=O)NNC(=O)c1ccc(C)o1	84142580	BKEFGBTVXQDQQJ-UHFFFAOYSA-N	318.333	1.526	50	20	DDGD	
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NNC(=O)CC(C)(C)C	246118180	KOZYGXHXTODOSH-OLZOCXBDSA-N	312.458	1.873	50	20	DDGD	
Cc1ccccc1C=NNC(=O)c1ccc(-n2cnnn2)cc1	254490518	VIWWVHGBPGYCMW-UHFFFAOYSA-N	306.329	1.735	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)cc1	265250686	JQCUPMXKTULUOP-UHFFFAOYSA-N	309.322	1.190	50	20	DDGD	
CC[C@@H](C)C[C@H](C)NC(=O)NNc1nc(O)c2cnn(C)c2n1	269296099	ROOKWSROVVTZSF-BDAKNGLRSA-N	321.385	1.520	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2c(F)cccc2F)CCCC1	269579541	ITZKQCAGWWWWOR-UHFFFAOYSA-N	318.345	1.765	50	20	DDGD	
O=C(CCc1ccc(Br)cc1)NNC(=O)C1CC1	267188109	YENVPTCWMGQQTP-UHFFFAOYSA-N	311.179	1.939	50	20	DDGD	
O=C(NNc1cccnn1)N[C@@H]1CCOC2(CCCCC2)C1	269373592	XCAKVJHOISQPPS-GFCCVEGCSA-N	305.382	1.985	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)CCCOC(C)C)c1	273449508	HFRVOYKDEQTGST-UHFFFAOYSA-N	323.393	1.460	50	20	DDGD	
CS[C@H](C)CC(=O)NNC(=O)COc1ccc(C#N)cc1	270118178	IZYAARMICIIDRK-SNVBAGLBSA-N	307.375	1.226	50	20	DDGD	
COC1(C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)CCC1	272903963	KJSBBQORJKMFNK-CYBMUJFWSA-N	320.389	1.787	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccnc(O[C@@H]2CCOC2)c1	273527817	SEILTEXFMHVHEV-LLVKDONJSA-N	323.349	1.419	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C2(O)Cc3ccccc3C2)c1	366625526	GCTXEVSFWRCXPU-UHFFFAOYSA-N	316.332	1.807	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1	273501748	YWSUFMXOQIKFJS-UHFFFAOYSA-N	324.356	1.726	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cccnc1SC(F)(F)F	277965846	MYBUCBLWYAXRKQ-UHFFFAOYSA-N	323.296	1.225	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc2c(O)nccc2c1)[C@H]1CCOC1	287645211	ZQKWWBIMHNEWLA-PWSUYJOCSA-N	316.361	1.992	50	20	DDGD	
Cc1ccc2c(c1)CN(S(=O)(=O)CBr)CCO2	285311258	MBKRRXHMNWYEMQ-UHFFFAOYSA-N	320.208	1.872	50	20	DDGD	
O=C(NNc1cccc(F)n1)N[C@H]1CCO[C@@H]1c1cccnc1	286977791	OZJCAHLZAPUUIQ-SMDDNHRTSA-N	317.324	1.772	50	20	DDGD	
C[C@@H](C(=O)NCC(Cl)Cl)n1nnc(-c2ccccc2)n1	288174234	IRKGETALMYXIFE-QMMMGPOBSA-N	314.176	1.821	50	20	DDGD	
CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NNc1cccc(C)c1	289891761	RZOPNOQAMYFFDW-ZDUSSCGKSA-N	323.393	1.978	50	20	DDGD	
O=C(NCCC(=O)N1CCCCCC1)NNc1cccc(F)n1	288182359	PIJZDWYEAZSYCT-UHFFFAOYSA-N	323.372	1.640	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)COCc2ccccc2)O1	281865649	KMWULOHXJUESPO-LALPHHSUSA-N	306.362	1.164	50	20	DDGD	
O=C(Cc1ncccc1F)NNc1ccc2c(=O)[nH]ccc2c1	803437017	GQLVLZDNWIJLCR-UHFFFAOYSA-N	312.304	1.748	50	20	DDGD	
C=CCOc1ccc(CNC(=O)NNC(=O)c2ccc[nH]2)cc1	807418370	UJNUBMQLWMTUIX-UHFFFAOYSA-N	314.345	1.724	50	20	DDGD	
O=C(NCC1=CCCCC1)NNc1ccc(-n2ccnc2)nn1	297020701	AGWDMQVRGJDUOF-UHFFFAOYSA-N	313.365	1.789	50	20	DDGD	
COc1ccc(CCNC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	296302923	VZUCABOUMHQEPV-AWEZNQCLSA-N	321.377	1.137	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	802006130	HRUJGPXJGMZSBV-SSDOTTSWSA-N	315.276	1.317	50	20	DDGD	
CCO[C@H]1C[C@@](O)(CNC(=O)NCCSSC)C1(C)C	807227717	DHRZEXPFZPHVNK-GXFFZTMASA-N	322.496	1.863	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc(F)cc1)[C@H](C)C(C)C	298265177	WCHBDTFJTINTBH-GFCCVEGCSA-N	309.385	1.953	50	20	DDGD	
CSCC[C@H](O)C(=O)NNc1ccc(OC(F)F)cc1	295545429	OVBIKUHDVWATRE-JTQLQIEISA-N	306.334	1.845	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc(Br)cc2F)nn1	809730556	SBQWKKFBFFVLOC-UHFFFAOYSA-N	314.118	1.474	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cn(-c2cccc(Cl)c2)nn1	294166250	NJWQHADSYYYCRI-UHFFFAOYSA-N	319.752	1.482	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)NCc1ncn(C)n1	298972630	QQESUOFTDWTYLI-UHFFFAOYSA-N	324.776	1.208	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)[C@@H]2CCCO2)c(C)c1	292687662	RPBFGEZEKWEYOC-ZDUSSCGKSA-N	307.350	1.725	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)NNc2ccncn2)C1	296163334	AOUIOYDNHUKCOH-BETUJISGSA-N	320.441	1.859	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1n[nH]c2c1CCC2	803439210	WPIFLWZJPUBONT-UHFFFAOYSA-N	309.329	1.497	50	20	DDGD	
C#CC[C@H](NC(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccc1	296631418	YXALHWAURSUPKI-GJZGRUSLSA-N	315.373	1.651	50	20	DDGD	
CCCc1nc(C)c(CNC(=O)NNC(=O)[C@H]2CCCCO2)o1	296937988	DVGDZWCVCCMCTG-LLVKDONJSA-N	324.381	1.335	50	20	DDGD	
CCC[C@H](OC)C(=O)NNc1nc2ccccc2c(=O)n1CC	294452688	NILRYEATZZUOEW-ZDUSSCGKSA-N	318.377	1.675	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)Cc2cccnc2)CCC1(F)F	290778905	MXEJDMNGSZGQKF-SNVBAGLBSA-N	312.320	1.342	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1nc(C2CC2)cs1	806961146	KUIKGSPRYSSBRA-UHFFFAOYSA-N	310.379	1.153	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1ccnc(F)c1F	803431784	FBYLZFXBDHHWMU-UHFFFAOYSA-N	316.267	1.958	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)c1ncoc1C1CC1	815149912	GACCYWXVTLGGPP-UHFFFAOYSA-N	315.329	1.782	50	20	DDGD	
O=C(NN=C1CCN(C2CCCCC2)CC1)c1ccnnc1	817343378	SCIHJUVRZJGYEJ-UHFFFAOYSA-N	301.394	1.991	50	20	DDGD	
CC(=NNC(=O)CC(C)C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	811634392	NFJGZDQWZMHLOM-UHFFFAOYSA-N	302.334	1.103	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@@]2(C)CC2(F)F)cc1	817709580	WEFXLWZVVWGFNZ-CYBMUJFWSA-N	313.304	1.300	50	20	DDGD	
CC(C)(O)[C@H]1CCCN(S(=O)(=O)CBr)C1	719643578	QWXCDHXQLLDTHP-QMMMGPOBSA-N	300.218	1.152	50	20	DDGD	
O=C(NNC(=O)c1c(Cl)cncc1Cl)c1ccccn1	814184783	FJXUOYSIOUISSH-UHFFFAOYSA-N	311.128	1.858	50	20	DDGD	
CCOc1ccc(NNC(=O)c2c(O)nnc(C)c2C)cc1	817915359	JOHGXFWURMXFBJ-UHFFFAOYSA-N	302.334	1.955	50	20	DDGD	
CCCN(CC)C[C@H](C)NC(=O)NNc1nccc(OC)n1	812700207	WVKOUKDSFVMCNQ-NSHDSACASA-N	310.402	1.232	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H]2CCCSC2)n1	810560810	NBUGDDQSJFOYSK-LLVKDONJSA-N	309.439	1.909	50	20	DDGD	
CC[C@@H]1CCC[C@H]1C(=O)NNC(=O)[C@H]1COc2ccccc2O1	822192563	RIZDPUHLCIOLLY-LALPHHSUSA-N	318.373	1.800	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	820630548	PPIYVIBWWHKRQJ-LLVKDONJSA-N	304.306	1.341	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CSC2CCCC2)c1	728828571	ZVHSMNYAAOHPBA-UHFFFAOYSA-N	303.387	1.995	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2csc([N+](=O)[O-])c2)c1	728826442	HNZDUAGJQPOLSD-UHFFFAOYSA-N	316.298	1.603	50	20	DDGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)OC[C@H]2C1	493312823	RDBZPISUAHSZNM-TYBUVKLMSA-N	314.301	1.596	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C1C[C@@H](C)O[C@@H]1C	496185166	ISGJHYIFTUKQCI-UTUOFQBUSA-N	323.393	1.573	50	20	DDGD	
COCCNC(=O)c1cccc(NC(=O)NN(C)C2CC2)c1	824337072	BVPBZRNERVELHK-UHFFFAOYSA-N	306.366	1.194	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C/c1cc(-c2nn[nH]n2)cs1	821064935	BXXXVGUTBLKVIL-WEVVVXLNSA-N	302.363	1.751	50	20	DDGD	
CCN(Cc1ccccc1)C(=O)NNC(=O)Cc1cccnc1	728957638	ZRSHETOEHGSWIU-UHFFFAOYSA-N	312.373	1.887	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1ccc(F)c(C(=O)OC)c1)C(C)C	491673898	WKSPOWBXSLQGBN-CYBMUJFWSA-N	307.325	1.896	50	20	DDGD	
CC(=NNC(=O)NCCNC(=O)OC(C)(C)C)c1ncccn1	496593187	ALPLIUMQWBFQKN-UHFFFAOYSA-N	322.369	1.025	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)COc1cc(Cl)cc(Cl)c1	823953000	WKLBZAIMCKGNBB-QMMMGPOBSA-N	307.177	1.716	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1CCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	826009759	FZIFELJCIBYIJD-AAVRWANBSA-N	311.426	1.958	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)CNC(=O)OC(C)(C)C)ncn1	495843600	VUXOTLBYZXVYAZ-VIFPVBQESA-N	309.370	1.389	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CN(C(=O)OC(C)(C)C)C1CC1	493922204	GATFYZRPPGEBBH-UHFFFAOYSA-N	313.398	1.579	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(-c2cccc(Cl)c2)on1	823970353	FQYBKXCDRNJYRC-SECBINFHSA-N	309.753	1.952	50	20	DDGD	
Cc1cccc(C(=O)NNc2nc(-c3cccnc3)no2)c1O	728078358	BQTKYXRPSUARCU-UHFFFAOYSA-N	311.301	1.903	50	20	DDGD	
CC(C)[C@@H]1N(C(=O)c2cccc(B(O)O)c2)CC12CCCCC2	584997711	HYVASELRGDLMBL-INIZCTEOSA-N	315.222	1.797	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H]1CCN(CC(F)F)C1	491104228	NBHDIUSTWIONNP-BWODNOAJSA-N	321.327	1.755	50	20	DDGD	
C[C@@]1(C(=O)NCC2(CO)CCOCC2)C[C@@H]1Br	907098449	FZAZXLMSMSEZMF-GXSJLCMTSA-N	306.200	1.065	50	20	DDGD	
C[C@H]1CN(C(=O)OC(C)(C)C)CCC1=NNC(=O)C(C)(C)O	495949000	KYZWNMAUJDQAFF-JTQLQIEISA-N	313.398	1.506	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)N[C@@H]1CC[C@H](C#N)C1	823891441	PAPCMYPHQRFINI-WDEREUQCSA-N	322.390	1.408	50	20	DDGD	
CC[C@H](O)[C@H](C)C(=O)NNC(=O)Cc1cccc2ccccc12	900049475	NPUAAJPAPINWKM-LRDDRELGSA-N	314.385	1.937	50	20	DDGD	
O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccc(B(O)O)cc1	584926404	NEGCJDFPBTVHPP-IVMMDQJWSA-N	301.195	1.455	50	20	DDGD	
O=C(/C=C/c1ccccc1OC(F)F)N1CC[C@@H](B(O)O)C1	585069191	MGIBXOHOTRPSQX-MVIFTORASA-N	311.093	1.377	50	20	DDGD	
COC[C@@H](NCc1ccc(B(O)O)o1)c1ccc(Cl)cc1	585039709	XYGPQWZKZHBHSG-CYBMUJFWSA-N	309.558	1.090	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccccc1OCCC(N)=O	490755420	UZIXMMBABALCPQ-ZHACJKMWSA-N	303.318	1.323	50	20	DDGD	
CC(C)n1cc(CNC(=O)[C@]2(C)C[C@H]2Br)nn1	908331845	GDFHRVRKWOADGU-MWLCHTKSSA-N	301.188	1.649	50	20	DDGD	
C[C@@H]1SCC[C@H]1NC(=O)NNc1ccc(-n2cccn2)nn1	828531264	IMQBDSKIZYPVGF-VHSXEESVSA-N	319.394	1.182	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc2c(C(F)F)nn(C)c2s1	821216921	BAAWFYCLXHWGSE-ZCFIWIBFSA-N	318.349	1.530	50	20	DDGD	
CNC(=O)C1CCC(NC(=O)[C@@]2(C)C[C@H]2Br)CC1	906442575	JFXYHWUFDOTNSE-URSNIEJTSA-N	317.227	1.581	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(-c2cncnc2)cc1F	496654684	JTRXOURRCXOCLK-UHFFFAOYSA-N	304.281	1.626	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H](C(C)C)N(C)C)c(F)c1	837207920	SHSSXSYVDFOTCZ-CYBMUJFWSA-N	311.357	1.642	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)c2cccc(Cl)c2)CCOC1	733351535	IOMKRLFKQBCLMO-AWEZNQCLSA-N	311.769	1.711	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(-n3c(C)cnc3O)cc2)ncn1	734253632	PBRZJYKYWIXKTJ-UHFFFAOYSA-N	324.344	1.742	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cnc(OC)nc1)c1ccccc1	733936133	RPFIMFYYVSASJO-CYBMUJFWSA-N	314.345	1.440	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNC(=O)NCCc1cccs1	737819834	YPDXBDRBAQKUST-LBPRGKRZSA-N	310.423	1.105	50	20	DDGD	
O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)Nc1ccccc1	738134852	VTCBPHFXXVDJCC-UHFFFAOYSA-N	323.316	1.333	50	20	DDGD	
COc1ccc2c(c1)C[C@H](C)CC2=NNC(=O)[C@H]1CCC(=O)N1	905489477	WCWPUDRGZFHFGS-IINYFYTJSA-N	315.373	1.376	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1CCC2(CCCCC2)CC1	584940466	WBMLRPDSECJOBH-UHFFFAOYSA-N	319.185	1.692	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)c1ccccn1	734807388	NHHHBRIIHCOACI-UWVGGRQHSA-N	317.295	1.925	50	20	DDGD	
CO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2C)C12CCC2	838763441	CQCZKKVACBBMOC-ZIAGYGMSSA-N	317.389	1.897	50	20	DDGD	
Cc1cc([C@H](C)NC(=O)c2ccc(B(O)O)c(F)c2)c(C)o1	584939475	MQWLUKSZIMODIF-VIFPVBQESA-N	305.114	1.206	50	20	DDGD	
O=C(c1sccc1Br)N1CC[C@H](B(O)O)C1	585070166	WVCHXJKSNVSWFA-LURJTMIESA-N	303.974	1.200	50	20	DDGD	
COc1cc(Cl)c(Cl)cc1C(=O)NN(C)C[C@H](C)O	910162641	HTJOAAMIIAIWOO-ZETCQYMHSA-N	307.177	1.959	50	20	DDGD	
COCCOc1ccc(NCc2cccc(B(O)O)c2)cc1F	585012372	WDECKVIDMXANBP-UHFFFAOYSA-N	319.141	1.143	50	20	DDGD	
CC(=NNC(=O)[C@H](C)Oc1ccccc1F)c1cnccn1	734747306	WSGHLENVZIJMPR-NSHDSACASA-N	302.309	1.923	50	20	DDGD	
Cc1cc(C)n(-c2ccc(CC(=O)NN(C)C[C@@H](C)O)cc2)n1	910169300	AIOZZFHZASPKFI-CQSZACIVSA-N	316.405	1.375	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CCCN2C2CC2)c(F)c1	837206554	NTHLHBJBISSTNJ-CQSZACIVSA-N	321.352	1.682	50	20	DDGD	
Cc1onc(-c2cccc(F)c2)c1C(=O)NN(C)C[C@H](C)O	910184845	WUCHKFTYUYHLNO-VIFPVBQESA-N	307.325	1.747	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](C)CCCc1cccnc1	838748529	GDVPLWMNUYMLAY-LBPRGKRZSA-N	308.382	1.160	50	20	DDGD	
CN(C)C[C@@](C)(C=NNC(=O)Cc1cc[nH]n1)c1ccccc1	834982509	CUENOTNBKZYNFM-QGZVFWFLSA-N	313.405	1.574	50	20	DDGD	
O=C(NCC(Cl)Cl)c1cncc(N2CCOCC2)c1	837650586	XYCUVXJINQAXSX-UHFFFAOYSA-N	304.177	1.452	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cnn1CC(C)C	831593265	JUGMEPDZPIVOTA-RYUDHWBXSA-N	323.397	1.425	50	20	DDGD	
CCOC(=O)[C@@H](CC(=O)NNc1c(C)cccc1F)C(C)=O	832356880	LGBRNPIFFNYAJF-NSHDSACASA-N	310.325	1.736	50	20	DDGD	
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NNc1ccc(F)cc1	747764351	QNGAGYFTAFTKOW-UHFFFAOYSA-N	306.253	1.039	50	20	DDGD	
CCO[C@@H](CCNC(=O)NNC(=O)N=c1cc[nH]cc1)C(C)C	836337230	KVKIDJGZTLQINZ-ZDUSSCGKSA-N	323.397	1.290	50	20	DDGD	
CCn1c(NNC(=O)c2ccc(N)cc2)nc2ccccc2c1=O	746411272	VGCGPFDOMGMWRE-UHFFFAOYSA-N	323.356	1.756	50	20	DDGD	
CCS(=O)(=O)c1ccccc1C(=O)NNC(=O)C1CCCC1	914843541	LFEJNSFCRPKVEU-UHFFFAOYSA-N	324.402	1.431	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNc1nc2ccccc2n1C	848380145	ZVOZWVFTGKBVTF-UHFFFAOYSA-N	304.350	1.606	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCN(C)c2ccccc21	843977101	FSKDKKBDZSKJKZ-OBJOEFQTSA-N	317.389	1.183	50	20	DDGD	
COc1ccc(C(=O)NN=C[C@]2(OC)CCOC2)c(OC)c1	841623638	LHJGHSFGLRZHTJ-OAHLLOKOSA-N	308.334	1.225	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@H]2Cc3ccccc3S2)n1	740114558	YYEFDPTZJJJTEY-GFCCVEGCSA-N	315.402	1.703	50	20	DDGD	
C=CCNC(=S)NNC(=O)C[C@H](C)N1CCc2ccccc21	847285745	UAKDXHVWDLUVSU-LBPRGKRZSA-N	318.446	1.509	50	20	DDGD	
CC(C)C[C@H](CN)NC(=O)NNc1ccc2c(=O)[nH]ccc2c1	841954829	WGISKCATPLAOPI-CYBMUJFWSA-N	317.393	1.528	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNC(=O)Nc1ccc(OC)cc1	848045416	YCYZOGINKACRCL-SNVBAGLBSA-N	323.349	1.437	50	20	DDGD	
CCCN1C[C@H](C(=O)OC[C@H](C)CBr)CC1=O	840665792	FEQGAWWACGUZCA-NXEZZACHSA-N	306.200	1.819	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CC2(CCN2Cc2ccccc2)C1	910781194	QZPCEKHDZFTAPH-FOWTUZBSSA-N	311.385	1.917	50	20	DDGD	
Cn1c(=NNC(=O)COC[C@H]2CCCO2)sc2ccccc21	746387106	DQSKRFGMQANFOP-LLVKDONJSA-N	321.402	1.367	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1cc(F)ccc1F	843649924	YUBQFVQBSUBQLP-CABZTGNLSA-N	312.316	1.470	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C[C@@H](C)OC)cc1OC	749563187	JLSHMBUOFNEKAR-SNVBAGLBSA-N	310.350	1.280	50	20	DDGD	
CC(=O)Nc1ccccc1CNC(=O)NNc1ncccn1	745860239	MKLSWMPYOLVIGS-UHFFFAOYSA-N	300.322	1.261	50	20	DDGD	
CC(C)n1ccc(CC(=O)NNC(=O)CCc2ccccc2)n1	742608418	XMDIYZZRGQJAKU-UHFFFAOYSA-N	314.389	1.787	50	20	DDGD	
C[C@H](Oc1cccc(F)c1)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843646445	VTLAQPIWHDNXJD-GBIKHYSHSA-N	310.325	1.165	50	20	DDGD	
C[C@@H](CC(=O)OCC(=O)NNC(=O)c1ccccc1)C1CC1	920726402	GTFIBDVVAVOONE-NSHDSACASA-N	304.346	1.427	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CC[C@@H]2CCOC2)cc1	846374415	OQMMPLHXISARCA-CYBMUJFWSA-N	306.362	1.662	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NNC(=O)c1cccnn1	921314910	LVNLJHLNCKAJHY-MRVPVSSYSA-N	315.171	1.047	50	20	DDGD	
Cc1ccc(C)c2c1NC(=O)C2=NNC(=O)[C@H]1CCO[C@@H]1C	842560333	XCKGTFIOQVESGO-MNOVXSKESA-N	301.346	1.501	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)OC[C@@H]2CCC(=O)N2)cc1	845085092	STIIMGXYRNHPKC-SSUFTNFISA-N	314.341	1.814	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1cnc2c(c1)C[C@H](N)CC2	841321350	HEZOJTUXWILIPL-LLVKDONJSA-N	319.409	1.487	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C[C@H]1CCc2ccccc2C1	843651859	PLSGHEIZEVRSHD-XEZPLFJOSA-N	316.401	1.754	50	20	DDGD	
C[C@@H]1COC[C@@H]1NC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	926002720	GXYALRCLKIVKGK-MFKMUULPSA-N	321.381	1.123	50	20	DDGD	
O=C(Cn1ccnc1[C@@H](O)C1CCCCC1)NNC(=O)C1CC1	849948243	QCMJUDZEXQSZMC-AWEZNQCLSA-N	320.393	1.054	50	20	DDGD	
CCn1ncc(C=NNC(=O)[C@@H](C)CN2CCCCCC2)n1	841614367	NEVSHFFQRNCQDB-ZDUSSCGKSA-N	306.414	1.260	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCC(=O)c1ccccc1	843978961	ZTLPDLOGLINXIK-YPMHNXCESA-N	304.346	1.222	50	20	DDGD	
N#Cc1ccc(NNC(=O)N[C@H](CCN)C(F)(F)F)cc1	841332345	FBLXFNDWGMTUFL-SNVBAGLBSA-N	301.272	1.464	50	20	DDGD	
N#C[C@@H]1CNC[C@H]1NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	846677297	LEURYZKLNHAVBP-FTEPDLOASA-N	312.211	1.168	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC[C@H](C2OCCO2)C1	921247773	LZRQLBUNACIUSA-JTQLQIEISA-N	311.831	1.276	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(C(=O)NCC(C)C)cc1	756014515	PEAHXNCEZCENSL-UHFFFAOYSA-N	306.366	1.635	50	20	DDGD	
CCOC(=O)NNC(=O)Cn1nc(C(F)F)cc1C(F)F	929188211	DEOOUAQSDFRURL-UHFFFAOYSA-N	312.223	1.536	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(OC)c(OC)cc1F	756455116	HNUDPTDCRPYZCQ-UHFFFAOYSA-N	315.301	1.032	50	20	DDGD	
COc1cc(NNC(=O)NC[C@@H]2COCO2)ccc1Cl	923850293	MSOUCRBDGGKWDX-SECBINFHSA-N	301.730	1.348	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc2c(c1)OC(F)(F)O2	755549900	LOPGLVYMYLPXHK-UHFFFAOYSA-N	317.248	1.197	50	20	DDGD	
Cc1cc(CCC(=O)NNC(=O)COc2ccc(F)cc2)no1	929291181	LBUJJOHGFGQPEO-UHFFFAOYSA-N	321.308	1.281	50	20	DDGD	
C=CCCOCC(=O)NNC(=O)COc1ccccc1CC	920427559	BSHVZYMLQNPULY-UHFFFAOYSA-N	306.362	1.368	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)c2c[nH]cc2C)cc1	920575887	GOKPCRCQMLITBD-UHFFFAOYSA-N	315.329	1.250	50	20	DDGD	
CCS[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1cn[nH]c1	858273499	ZTLORAZBMGLRKS-QWRGUYRKSA-N	311.411	1.418	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1cccc(F)c1	853389406	HSMLGECWDLQWII-ZBFHGGJFSA-N	319.380	1.919	50	20	DDGD	
CC(=NNC(=O)c1cccn1C)c1cc(C(=O)O)ccc1O	757459112	FJWLGIDLLPLGCI-UHFFFAOYSA-N	301.302	1.583	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)c1ccc(O)cc1)OCO2	758868112	CICYOQLNBLEOOY-UHFFFAOYSA-N	314.297	1.893	50	20	DDGD	
CCOc1ccc2cc(C(=O)NN(C)C(=S)NC)[nH]c2c1	854925483	HCJHFZIRHBUQOK-UHFFFAOYSA-N	306.391	1.648	50	20	DDGD	
CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1cccc(F)c1	920379998	DYMQFZFPXGADSB-LBPRGKRZSA-N	313.354	1.036	50	20	DDGD	
Cc1ccc2c(c1)CCC2=NNC(=O)[C@@H](C)CN1CCOCC1	921255740	BJLWHICGEFGOKO-AWEZNQCLSA-N	315.417	1.730	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(COC(C)C)cc1	756213680	ZJGLXZOEVRUQKK-UHFFFAOYSA-N	309.366	1.801	50	20	DDGD	
O=C(NN=C[C@@H]1CCOc2ccccc21)[C@H]1CCS(=O)(=O)C1	752159370	CNEFMKBPDADCCP-RYUDHWBXSA-N	322.386	1.089	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CC[C@@H]1CC1(Cl)Cl	855007704	YDXBPXSEHRYJDD-DJLDLDEBSA-N	309.193	1.533	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCOCC(F)F)c1	858384856	WXSVGIXPVRGGNQ-UHFFFAOYSA-N	307.322	1.282	50	20	DDGD	
COC[C@H](C)Oc1ccc(C=NNC(=O)c2cnn(C)c2)cc1	853309065	GATKZRSZIHCCFL-LBPRGKRZSA-N	316.361	1.598	50	20	DDGD	
CC1CC(CNC(=O)NNC(=O)Nc2ccc3c(c2)OCO3)C1	856902621	SEYBICNYSNQCPQ-UHFFFAOYSA-N	320.349	1.797	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1ccnn1CC1CC1	853278865	JHZAADNYOOAZKE-AWEZNQCLSA-N	317.437	1.865	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N[C@@H]1Cc2cccc(O)c2C1	759726663	VLCUZTFFUGMJCT-WCQYABFASA-N	319.405	1.031	50	20	DDGD	
O=C(NCC(=O)N1CCCCC1)NNc1ccc(Cl)cn1	851979708	HDQSWEMIQIWPPI-UHFFFAOYSA-N	311.773	1.374	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)OCC(F)(F)F)cc(O)n1	856023123	ZFNYXEQOXKQVQP-UHFFFAOYSA-N	307.228	1.283	50	20	DDGD	
CO[C@H](C=NNC(=O)Cc1nc2ccccc2n1C)C1CC1	853273069	ZFNXZWMJLIBAMA-CQSZACIVSA-N	300.362	1.643	50	20	DDGD	
COc1ccc2c(c1)OC[C@H]2CC(=O)NN=c1cc[nH]c(C)c1	862513664	JHNAVJQAYMBBGT-GFCCVEGCSA-N	313.357	1.830	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NNc1ccc(F)c(Cl)c1	863081450	KXBHMIBEIALMQD-JTQLQIEISA-N	315.776	1.891	50	20	DDGD	
Cc1cc(C)cc(C(=O)NCC(=O)NN[C@H](C)C(F)(F)F)c1	862303903	CLUKECBFCHOAKK-SNVBAGLBSA-N	317.311	1.605	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(OC2CCCC2)cc1	763429000	BOVVSRAJQHMSMR-UHFFFAOYSA-N	319.361	1.504	50	20	DDGD	
CCC(=NNC(=O)CS(C)(=O)=O)c1cc(C)ccc1OC	863187702	QOMHXFZBNMWPNA-UHFFFAOYSA-N	312.391	1.279	50	20	DDGD	
C[C@H](NNC(=O)c1ccc2c(c1)NC(=O)CS2)C(F)(F)F	862305119	WJROOXHBLDESBE-LURJTMIESA-N	319.308	1.916	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@H](CO)CC(F)F	760682121	CGBXUHZFHGNXFJ-POYBYMJQSA-N	302.159	1.928	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=C1CCS(=O)CC1	761805458	QVYHOMJSDKIMHV-LPOBJOOYSA-N	312.366	1.608	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc2c(c1)NC(=O)C2	932507181	XIAUXFJOFOAUOH-UHFFFAOYSA-N	300.318	1.137	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1C	763441119	GTIMPZKKQVAEHQ-UHFFFAOYSA-N	317.267	1.510	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)NN[C@@H](C)C(F)(F)F)C2	862322465	JEPNQILAQFQOJT-XKNYDFJKSA-N	321.299	1.201	50	20	DDGD	
C[C@H](NNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)C(F)(F)F	862307720	OMPQCEVYYHTOST-YFKPBYRVSA-N	317.227	1.656	50	20	DDGD	
C[C@H](NNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C(F)(F)F	862322110	FQFJBJLUEREHGT-LURJTMIESA-N	309.219	1.848	50	20	DDGD	
CCO[C@@H](CC(=O)NNC(=O)Cc1ccccc1OC)C(C)C	760395603	SCUGSYMXTZFQQF-HNNXBMFYSA-N	322.405	1.836	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNc1nc2ccccc2[nH]c1=S	869375737	FVJDCDUDVFIHTA-VIFPVBQESA-N	319.390	1.650	50	20	DDGD	
CCCCS(=O)(=O)/C(C#N)=C\c1cn(C[C@H]2CCCO2)nn1	865225008	XIMUXNPVOQGTMD-HRYODUOUSA-N	324.406	1.536	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N	763516263	HIWMKVDRKXNSCR-SECBINFHSA-N	320.374	1.187	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cnn(C3CC3)c2)c1O	863860450	DHLAZKQTRXQVDA-UHFFFAOYSA-N	316.317	1.007	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)Nc1ccc(OC)cc1)C1CC1	861566962	WWCKOUKLEFAXQD-ZDUSSCGKSA-N	307.350	1.663	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)c1	862475400	JKBXVDKEQQWYMQ-LLVKDONJSA-N	323.418	1.322	50	20	DDGD	
CCCCCc1nnc(NC(=O)NNC(=O)c2cn[nH]c2)s1	860282196	MMQGNRSKSHWNOQ-UHFFFAOYSA-N	323.382	1.460	50	20	DDGD	
Cc1nc2ccc(C(=O)NNc3nnc(C)c(O)n3)cc2s1	762841285	LPGCYGSUYUNTFI-UHFFFAOYSA-N	316.346	1.561	50	20	DDGD	
CC(C)O[C@H](C=NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1	863149514	BDJGTGYFAYWNIE-UONOGXRCSA-N	303.362	1.533	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1cc(C)ccc1Br	765642890	PYCDJJLQMYXWIX-UHFFFAOYSA-N	321.196	1.477	50	20	DDGD	
CC(=O)NC[C@@H]1CCCCN1CCI	860177621	UWQWIENUGAVMPO-JTQLQIEISA-N	310.179	1.412	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccncc1)c1cccc([N+](=O)[O-])c1	761384952	JOKVEIRYQPXWJC-SNVBAGLBSA-N	314.301	1.555	50	20	DDGD	
COc1cc(C(C)=NNC(=O)c2ccncc2)c(OC)cc1O	763105122	NIMYFGUHRJWWGH-UHFFFAOYSA-N	315.329	1.958	50	20	DDGD	
CC(Cc1ccncc1)=NNC(=O)[C@H](C)CN1CCOCC1	767764062	GBVMTTNXEMXAST-CYBMUJFWSA-N	304.394	1.085	50	20	DDGD	
CCC1(C(=O)NNC(=S)Nc2ccc(N(C)C)cc2)COC1	874950277	BGCOTYLIEDNIIL-UHFFFAOYSA-N	322.434	1.497	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNc2ccccc2S(C)(=O)=O)o1	772388793	PLJUXHUJNNFGIH-UHFFFAOYSA-N	322.342	1.643	50	20	DDGD	
C#CC[C@H](CCOC)NC(=O)NNC(=O)c1ccc(Cl)cc1	875922510	XWZOHDLTQSOAPP-CYBMUJFWSA-N	323.780	1.712	50	20	DDGD	
Cc1nsc(NC2CC2)c1C(=O)NNC(=S)NC(C)C	1117697320	ACDCUSUHTQKFGK-UHFFFAOYSA-N	313.452	1.543	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccn(Cc2ccccc2)n1	770339513	POPKHQBXSZWYFU-UHFFFAOYSA-N	301.350	1.740	50	20	DDGD	
CCc1ccccc1C(=O)NNc1nc(O)c2cnn(C)c2n1	770971912	CBNJITSBJIRVQP-UHFFFAOYSA-N	312.333	1.388	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C1(F)CCCC1	771868493	QBALTWFFUXRWBZ-UHFFFAOYSA-N	310.325	1.504	50	20	DDGD	
CC1(C)C[C@H]1CNC(=O)NNc1cccc(S(C)(=O)=O)c1	776622035	AGYJULAFXNVSSO-JTQLQIEISA-N	311.407	1.762	50	20	DDGD	
C[C@H](CBr)CN1CCC(N2CCN(C)CC2)CC1	879595437	CHRQFCKKYZYHOT-CYBMUJFWSA-N	318.303	1.729	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cnc(C3CC3)o2)cc1	1119381929	VGIWHDIXIXNHPO-UHFFFAOYSA-N	301.302	1.635	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)CC[C@H]1CCOC1	773637321	FCWMKCULMBXKHR-JTQLQIEISA-N	310.325	1.872	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccc(Br)s1)N(C)C	873809840	VJDJZKPMBUBZBQ-ZCFIWIBFSA-N	320.212	1.222	50	20	DDGD	
CN(C)S(=O)(=O)c1cc(C(=O)NNc2ccccc2)n(C)c1	778935451	FYTWOEKHZQXBRO-UHFFFAOYSA-N	322.390	1.032	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1cccc(C(=O)OC)c1	779834218	CTGLZDOJYSEXCQ-UHFFFAOYSA-N	307.350	1.223	50	20	DDGD	
Cc1nc(CCC(=O)NNC(=O)c2ccc(C)c(O)c2)cs1	882048741	FJSRQAMYTIBOCX-UHFFFAOYSA-N	319.386	1.859	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(SC)cc1	771948779	RRNJBRYQFPINPE-SECBINFHSA-N	310.375	1.511	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](CC)c1ccccc1	771870756	PRNOZJGRHQMCPG-YPMHNXCESA-N	306.362	1.669	50	20	DDGD	
COc1cc(NNC(=O)C(=O)Nc2cncnc2)ccc1Cl	789797113	PPGYZMXINBGNDR-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)CCc1cnc[nH]1	788625126	GOLGSYPKTSZKMW-UHFFFAOYSA-N	322.752	1.466	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2c(C)nn(C)c2C)cc1O	882047575	SOUQMIKVMLSFMU-UHFFFAOYSA-N	302.334	1.126	50	20	DDGD	
O=C(CO)NN=C1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]12	781125583	ZSKZGWXDXDGTNH-LSDHHAIUSA-N	301.390	1.383	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2ccccc2C(=O)OC)on1	781431056	JQOCMIDTIKETSN-UHFFFAOYSA-N	319.273	1.005	50	20	DDGD	
Cc1cccc(CCCNC(=O)NNC(=O)C2CCOCC2)n1	883640202	JGUVVGDLGBQKRT-UHFFFAOYSA-N	320.393	1.080	50	20	DDGD	
O=C(NNC(=O)C1CCC(C(F)(F)F)CC1)C1CCOCC1	883069008	QRAZLFKLTGVVSO-UHFFFAOYSA-N	322.327	1.929	50	20	DDGD	
CC[C@@H]1C[C@@H](CC(=O)NNC(=S)N[C@H](C)C2CC2)CCO1	781697635	OTEDHJSWKDXITE-NTZNESFSSA-N	313.467	1.876	50	20	DDGD	
Cn1nc2c(c1C(=O)NNC(=S)NC(C)(C)C)CCCC2	899996262	IMEINSDCVUWTCE-UHFFFAOYSA-N	309.439	1.206	50	20	DDGD	
CC(C)(CC(=O)NNC(=O)C(=O)NC1CC1)C1CCCCC1	792855967	SCYHFOOGJVULBK-UHFFFAOYSA-N	309.410	1.409	50	20	DDGD	
CC[C@@H](OC1CCCC1)C(=O)NNC(=O)c1cccc(C)n1	794083466	IZOSETZSELMOAV-CQSZACIVSA-N	305.378	1.889	50	20	DDGD	
CC[C@@H]1CC[C@H](C)CC1=NNC(=O)[C@H](C)NS(C)(=O)=O	797402843	QGTMEZXYRYVKGI-GARJFASQSA-N	303.428	1.243	50	20	DDGD	
COCCN(CC(=O)NNC(=O)C(C)(C)C)[C@@H]1CC[C@@H](C)C1	792463424	IPIZLICLYYOUGP-CHWSQXEVSA-N	313.442	1.317	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1cccc2cc[nH]c12	792380639	XZNWGMMFPVBVES-UHFFFAOYSA-N	309.329	1.953	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cnn(CC)c1C(F)(F)F	799238135	XUTIHGYHHVASOP-UHFFFAOYSA-N	323.275	1.111	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2c(C)noc2Cl)n1	794088297	XPQRTXSYIBIEGR-UHFFFAOYSA-N	308.725	1.344	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1c(F)cc(F)c(F)c1F	797522945	JHTXEJQHNWMPIW-UHFFFAOYSA-N	323.246	1.110	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CCN3CCC[C@@H]3C2)c1	1329978845	LJJZDLNHBJWKOA-VXGBXAGGSA-N	322.434	1.627	50	20	DDGD	
CN(C)c1ccc(CCNC(=O)/C(C#N)=C\c2cnn(C)c2)cc1	1327933623	XTYWEPCBXXMAJH-YBEGLDIGSA-N	323.400	1.752	50	20	DDGD	
CN(C)[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cnn(C)c1	1327932073	KLCXNHQKYNZVPQ-WAYTWBJWSA-N	301.394	1.316	50	20	DDGD	
Cc1noc(-c2ccc(C(=O)NNC(=O)CC3CC3)cc2)n1	1328016018	HFUISJDLGRAALK-UHFFFAOYSA-N	300.318	1.606	50	20	DDGD	
CCOC(=O)[C@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)C1CC1	1321079826	NIYAWGOJVCBKLR-BMQCOBNYSA-N	314.341	1.757	50	20	DDGD	
Nc1cnnc(NNC(=O)NC[C@@H]2Cc3ccccc32)c1Cl	1253130762	ANXNMKFQXRIGAQ-VIFPVBQESA-N	318.768	1.678	50	20	DDGD	
Cc1ccccc1-n1nc(C)c(C=NNC(=O)CCO)c1C	1333184208	TULYDDBVQLZMAY-UHFFFAOYSA-N	300.362	1.630	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1337856806	OZAALBVGRISEJY-UHFFFAOYSA-N	308.382	1.112	50	20	DDGD	
C[C@@H]1CCC[C@@H]1CC(=O)NNC(=O)c1n[nH]c2c1CCCC2	1338117757	HLTKYBRIYJAUFG-GHMZBOCLSA-N	304.394	1.876	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@]1(c2ccccc2)CCCO1	1335474231	CSSXBLACIZPXSY-HNNXBMFYSA-N	307.419	1.596	50	20	DDGD	
O=C(CCCCc1cccc(O)c1)NNC(=O)N1CCOCC1	1346373829	BSJBAMZWWSVESB-UHFFFAOYSA-N	321.377	1.178	50	20	DDGD	
CC(=NNC(=O)CCO)c1ccc(OCc2nccn2C)cc1	1347634573	SBXQOVONEDABPL-UHFFFAOYSA-N	316.361	1.222	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCc2nccn2C)c(F)c1	1347159842	GARVLALUQPDTID-UHFFFAOYSA-N	320.324	1.422	50	20	DDGD	
C[C@]1(NC(=O)NC[C@@]2(C)C[C@H]2Br)CCOC1=O	1346448111	PJOROLMMLOBINS-ONOSFVFSSA-N	305.172	1.165	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)c1ccc2ccccc2n1	1353253703	DHCGSDGSRVPVFT-IUODEOHRSA-N	313.357	1.811	50	20	DDGD	
CO[C@H]1CCC[C@H]1C(=O)NNc1cccc(S(C)(=O)=O)c1	1353628466	LCLYDYGAPPMKDZ-OLZOCXBDSA-N	312.391	1.348	50	20	DDGD	
CC(=O)NC1CCC(C(=O)NNC(=O)c2ccccc2F)CC1	1515352359	VYYBVMWOLRMUGN-UHFFFAOYSA-N	321.352	1.282	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cn2c(n1)CCCC2	1606861689	XJAGSSREMAGBHH-UHFFFAOYSA-N	324.348	1.156	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)Cc2ccccc2O)cc1	1602127720	XFFUBMMAIJQDSJ-UHFFFAOYSA-N	300.314	1.705	50	20	DDGD	
Cc1c(NNC(=O)c2cnn3cccnc23)cccc1C(=O)O	1600054789	HDEUQNDZOOEYLD-UHFFFAOYSA-N	311.301	1.493	50	20	DDGD	
C=C(CBr)COC(=O)c1ccc(-c2nn[nH]n2)cn1	1609051676	NSIXDCVSFWWOGW-UHFFFAOYSA-N	324.138	1.370	50	20	DDGD	
CCCC[C@@H](NNC(=O)Cn1ccc2ccccc21)C(=O)O	1609960912	BGTPIKUVGYVDKQ-CYBMUJFWSA-N	303.362	1.906	50	20	DDGD	
CC(C)(C)OCC(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1609079852	XHMGRQCRFSFWSR-UHFFFAOYSA-N	324.772	1.778	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1ccnc(C(=O)O)c1	1608484134	LGFUJNUQAXAMAC-UHFFFAOYSA-N	309.285	1.480	50	20	DDGD	
CN(C)N(C(=O)c1nccs1)c1nc(CC(=O)O)cs1	1606036888	GBYZYEPEDDLLGO-UHFFFAOYSA-N	312.376	1.350	50	20	DDGD	
O=C(O)[C@H]1CCC[C@H](C(=O)NNC(=S)NCC2CCC2)C1	1601804131	WJHFPTQFRBFANM-QWRGUYRKSA-N	313.423	1.173	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1ccnc(-n2cncn2)c1	1601561439	HPEOSXDUZCXCPU-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
CN(C)N(C(=O)C[C@@H]1C=CCC1)c1nc(CC(=O)O)cs1	1606036831	DGUXTJXVZKMUEL-SNVBAGLBSA-N	309.391	1.936	50	20	DDGD	
C[C@H](OC1CCCCC1)C(=O)NNc1ccc(C(=O)O)cn1	1609800809	URQJKSKNRWETQL-JTQLQIEISA-N	307.350	1.961	50	20	DDGD	
Cn1ccc(CNC(=O)NNc2ccc(F)c(C(=O)O)c2)n1	1600975784	IGGSXALQSBCZMJ-UHFFFAOYSA-N	307.285	1.084	50	20	DDGD	
Cn1cnc(CCNC(=O)NNc2ccc(C(=O)O)c(F)c2)c1	1600988954	PNNUKNPBSUVSGF-UHFFFAOYSA-N	321.312	1.126	50	20	DDGD	
Cc1[nH]c(C(=O)O)c(C)c1C(=O)NNc1nncc(N)c1Cl	1610404100	TWLKYUOKZIGLNU-UHFFFAOYSA-N	324.728	1.112	50	20	DDGD	
Cc1[nH]c(C(=O)COC(=O)/C(C#N)=C\C2CC2)c(C)c1C(=O)O	1610402636	RLPLAFCEMNXKMF-WZUFQYTHSA-N	316.313	1.916	50	20	DDGD	
CCCNNC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1	1577574686	NHASXHCYPWGWPY-AWEZNQCLSA-N	305.378	1.818	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC[C@@H](C(=O)O)C1)c1ccc(Cl)cc1	1574579161	XJVZIBBAHSLAET-VHSXEESVSA-N	310.737	1.602	50	20	DDGD	
COc1ccccc1NNC(=O)[C@@H]1NCCOc2ccccc21	1579309826	PSYBXFSTSZTUMV-MRXNPFEDSA-N	313.357	1.862	50	20	DDGD	
O=C(NNc1ccc(F)cn1)Nc1nccc([C@@H]2CCNC2)n1	1580739295	CFNYMPRUUVHAAA-SECBINFHSA-N	317.328	1.236	50	20	DDGD	
N[C@@H]1CCO[C@@H]1C(=O)NNc1ccccc1OC(F)(F)F	1580384014	QRRCTXIHRGFTGG-XCBNKYQSSA-N	305.256	1.145	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cccnn2)C1	1844438430	XNOQRUBVTBGPDG-LLVKDONJSA-N	322.796	1.311	50	20	DDGD	
CCC[C@](C)(CC)C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1590542849	LDBBTXPWDUJBFN-AWEZNQCLSA-N	303.370	1.921	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc(C(=O)O)c1)c1nccn1C	1593101579	HLXUZSLYLZJEFT-SECBINFHSA-N	303.322	1.506	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)[C@H]1CO[C@@H](CCC(=O)O)C1	1594310331	NUFKXNQZPQHIML-PWSUYJOCSA-N	310.325	1.847	50	20	DDGD	
COc1ccc(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)cc1	1591582408	SJMFXNXFCNQZHF-UHFFFAOYSA-N	322.328	1.639	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccn(CC(=O)O)n1	1594600886	HAZNPTDMTYHOKD-XFFZJAGNSA-N	314.276	1.652	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)Nc2cncc(C(=O)O)c2)c1	1594436259	ZWFAJKMBWOTXOE-UHFFFAOYSA-N	320.330	1.616	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NN=Cc2c[nH]c3ccc(C(=O)O)cc23)O1	1599906976	WSOVBGAYUFMDQP-XPTSAGLGSA-N	315.329	1.884	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2c(C)cccc2C)[nH]n1	5818533	MWSDNKZBGQZMKC-UHFFFAOYSA-N	302.334	1.175	50	20	DDGD	
Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1cnn(C)c1	14844106	OPQHBSVVXHBPJW-UHFFFAOYSA-N	322.752	1.222	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F	158872330	IHLNROMKOGKXHQ-MNOVXSKESA-N	319.311	1.868	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2ncccc2[N+](=O)[O-])nn1C	153605793	LSBPCTUYAUAVPC-UHFFFAOYSA-N	304.310	1.604	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCCCCl)[C@@H](C)N1CCOCC1	154113129	LOZRIWBNVHVRJI-VXGBXAGGSA-N	312.863	1.034	50	20	DDGD	
NC(=O)c1csc(C(=O)NNC(=O)CCc2ccccc2)c1	154146907	HUDSRDJYGUIXAB-UHFFFAOYSA-N	317.370	1.241	50	20	DDGD	
O=C(NNC(=O)c1coc(-c2ccccc2)n1)c1cccnc1	154693036	DLTSCDWPJOFOTN-UHFFFAOYSA-N	308.297	1.811	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCSCc2ccccn2)[nH]n1	153898934	LVVQVBNPIXHZBO-UHFFFAOYSA-N	319.390	1.198	50	20	DDGD	
Cc1cc(F)cc(NC(=O)C(=O)NNC(=O)c2ccccc2)c1	159541281	FEIHEAJNZBAQQM-UHFFFAOYSA-N	315.304	1.534	50	20	DDGD	
COC[C@H](O)CCNS(=O)(=O)c1ccc(CCCl)cc1	231601563	NYGVPDHICNBFOW-GFCCVEGCSA-N	321.826	1.144	50	20	DDGD	
O=C(O)CCSSCCNC(=O)c1ccnc(CO)c1	2088599288	BBUDRYZAAJHEMZ-UHFFFAOYSA-N	316.404	1.160	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNS(=O)(=O)c1cc(C)ccc1C	7697648	RPUOAQLGBIJPPV-FMIVXFBMSA-N	323.374	1.057	50	20	DDGD	
Cc1nn(C)cc1[C@@H](C)NC(=O)NNC(=O)c1ccccc1	69261790	QMFJAIMYOVTWHB-SNVBAGLBSA-N	301.350	1.434	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)[C@H](C)OC)cc1OC	55404467	BBUFXTILPYKHMV-NSHDSACASA-N	324.377	1.670	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccc(Cl)o1	25452537	OECKGNNZCQKXFT-UHFFFAOYSA-N	318.720	1.964	50	20	DDGD	
C[C@@H]1CCC[C@H]1NC(=O)NNC(=O)COc1ccccc1C#N	105312202	PXXUEYKXQPWJNZ-DGCLKSJQSA-N	316.361	1.456	50	20	DDGD	
CCc1ccc([C@H](C)C(=O)NNC(=O)c2cnn(C)c2)cc1	117683160	IMZRKHHCTWDMDT-NSHDSACASA-N	300.362	1.547	50	20	DDGD	
CC(C)(CCC(=O)NNC(=O)N1CCOCC1)c1ccccc1	179187969	WAWOHXLPEVYHIX-UHFFFAOYSA-N	319.405	1.817	50	20	DDGD	
O=C(CN1CCC[C@@H]1c1ccc(F)cc1)NNC(=O)C1CC1	112976407	VMMHSAJCGBFETQ-CQSZACIVSA-N	305.353	1.520	50	20	DDGD	
CCCN1CC[C@H](CNC(=O)NNc2nc(C)cc(C)n2)C1	54806069	FXCUZARIKYBSQU-CYBMUJFWSA-N	306.414	1.451	50	20	DDGD	
Cc1ccc2ncc(C(=O)NNC(=O)CC(C)(C)C)c(=O)n2c1	103200293	JEKCHIRXCSODRX-UHFFFAOYSA-N	316.361	1.200	50	20	DDGD	
CCC(C)(C)C(=O)NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1	111055047	ZLIBGNOQUBPSFJ-UHFFFAOYSA-N	320.397	1.754	50	20	DDGD	
Cc1nccn1-c1ccc(CNC(=O)NNc2ncccn2)cn1	57127473	MNBZZRMTHPXRML-UHFFFAOYSA-N	324.348	1.192	50	20	DDGD	
COCCC(=O)NNC(=O)NCc1cccc(C(F)(F)F)c1	171400804	ORWNFJFOAUKJEW-UHFFFAOYSA-N	319.283	1.572	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCOC1)c1cc2ccccc2cc1O	66897393	JULXCFDPBRLQMM-GFCCVEGCSA-N	300.314	1.343	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@@H]1CSCCS1	176923752	CPKYIHYZYZHELM-NSHDSACASA-N	314.407	1.364	50	20	DDGD	
NS(=O)(=O)c1cccc(NC(=O)NNc2ccccc2F)c1	178618427	MHPYWABOTAZICQ-UHFFFAOYSA-N	324.337	1.622	50	20	DDGD	
COC(=O)[C@H]1CCC[C@H](C(=O)NNc2ccc(Cl)nn2)C1	175242791	NLXFIHKTLORWAE-IUCAKERBSA-N	312.757	1.553	50	20	DDGD	
CN1CCC[C@@H]1CNC(=O)NNC(=O)c1cc2ccccc2o1	175999081	XJHWBYNCMTXFDJ-GFCCVEGCSA-N	316.361	1.471	50	20	DDGD	
O=C(CC[C@@H]1CCOC1)NNC(=O)COCc1ccccc1	177420332	GDUSKAGLTDICMA-CQSZACIVSA-N	306.362	1.167	50	20	DDGD	
CC(C)CCC(=O)NCC(=O)NNC(=O)Cc1ccccc1F	66928409	QERICOYIXOXZNA-UHFFFAOYSA-N	323.368	1.068	50	20	DDGD	
Cc1csc(=O)n1CCC(=O)NNc1cccc([N+](=O)[O-])c1	178839008	ARJOQFOAYPQYDL-UHFFFAOYSA-N	322.346	1.660	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1	172160746	BDACNJJSMAWTTH-UHFFFAOYSA-N	322.346	1.132	50	20	DDGD	
CC(=O)Nc1ccc(F)c(C(=O)NNc2cc(C)nc(C)n2)c1	129049102	HAMUHNAMKSZSGN-UHFFFAOYSA-N	317.324	1.948	50	20	DDGD	
Cc1cnc(NC(=O)C(=O)NNc2ccccc2[N+](=O)[O-])s1	124205806	TUGBYLDDXHGGMG-UHFFFAOYSA-N	321.318	1.442	50	20	DDGD	
C[C@@H]1CC(C(=O)NNC(=O)CNC(=O)c2ccco2)C[C@@H](C)C1	183689900	SDUTZHMLUCINPP-QWRGUYRKSA-N	321.377	1.229	50	20	DDGD	
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NN(C)C(N)=O)c1	181084617	MSZRIGDAXHTFSE-UHFFFAOYSA-N	312.757	1.590	50	20	DDGD	
CSCc1nc2ccccc2n1CC(=O)NNC(=O)C1CC1	72958117	SWIFMTBAUQWWEH-UHFFFAOYSA-N	318.402	1.457	50	20	DDGD	
NC(=O)NCCC(=O)NNc1c(Cl)cc(F)cc1Cl	124339788	ZVDNRPBJQSZBLU-UHFFFAOYSA-N	309.128	1.634	50	20	DDGD	
CNC(=O)NNC(=O)[C@@H](C)Cc1ccc(Br)cc1	126680828	XYLQVHRUESLKFH-QMMMGPOBSA-N	314.183	1.588	50	20	DDGD	
CCC1(CC)NC(=O)N(CC(=O)NNc2ccc(C)cc2)C1=O	120426601	MKRRNSOVPQMZDT-UHFFFAOYSA-N	318.377	1.549	50	20	DDGD	
CC[C@@H](C)C[C@H](C)NC(=O)NNC(=O)Cn1nc(C)cc1C	74787643	PNZUCDVYFPRBQR-MNOVXSKESA-N	309.414	1.655	50	20	DDGD	
CCCCn1cc(C(=O)NNC(=O)NCc2ccco2)c(C)n1	184823154	PMMJSICWKMUYAS-UHFFFAOYSA-N	319.365	1.729	50	20	DDGD	
Cc1ccnc(-n2nccc2NC(=O)NNC(=O)C(C)(C)C)c1	189837063	ZUFCNFCCDILJLM-UHFFFAOYSA-N	316.365	1.775	50	20	DDGD	
C=C[C@](C)(CCOC)C(=O)NNC(=O)c1cccc(N(C)C)c1	187846263	XIMMEPRQXCFVGV-QGZVFWFLSA-N	319.405	1.742	50	20	DDGD	
O=C(CCc1ccncc1)NNc1nc2ccccc2c(=O)[nH]1	137164596	WYHMSMUFPYKQKS-UHFFFAOYSA-N	309.329	1.394	50	20	DDGD	
C/C=C(\C)C(=O)NNC(=O)c1nn(CC)c(=O)c2ccccc12	80598443	VDRGFMWWIFTHDR-ONNFQVAWSA-N	314.345	1.144	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc3c(C)nn(C)c3s2)o1	84292198	DUDLCQDXCRBXGD-UHFFFAOYSA-N	318.358	1.919	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@@H]1CCCc2cccnc21	194565262	YPPSCZNULRLSGY-CQSZACIVSA-N	310.357	1.287	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(Cl)cc(Cl)c1	49198155	AXNJALDXHYBPKE-UHFFFAOYSA-N	320.176	1.974	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1nc2c(s1)CCCC2	194755101	UNIDITVYKHTZFD-UHFFFAOYSA-N	305.363	1.817	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C[C@H](C)C2CCNCC2)n1	237304674	GTWGNRGSAZAOOD-JTQLQIEISA-N	307.398	1.263	50	20	DDGD	
C[C@H]1CCCN(C(=O)NNC(=O)COCc2ccccc2)C1	91082505	JNUBYXVIIJHBOR-ZDUSSCGKSA-N	305.378	1.676	50	20	DDGD	
CC(C)(C)C(=O)NCCC(=O)NNc1cc(C#N)cc(Cl)n1	92456314	NPDHHDUXCHRMBZ-UHFFFAOYSA-N	323.784	1.602	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H]2C[C@H]2C)cc1	250635430	QQCHGKKROXITGA-GYSYKLTISA-N	306.362	1.656	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C(C)(C)c2ccccc2)nn1	265551865	NPZCDOCKINGQOQ-UHFFFAOYSA-N	314.345	1.224	50	20	DDGD	
CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)NNc1ncccn1	269637636	QNXPNGZRLHITGH-OAHLLOKOSA-N	323.397	1.861	50	20	DDGD	
CC(C)OCc1ccc(C(=O)NNc2nccn(C)c2=O)cc1	267232525	QDHOXFHNENNWJV-UHFFFAOYSA-N	316.361	1.462	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)NCCCC#N	273194523	HWOPZBMFLXPQDL-UHFFFAOYSA-N	322.390	1.421	50	20	DDGD	
COc1nccnc1NNC(=O)[C@](C)(OC)c1ccccc1	274925004	JWFNBYAHNYKQKD-OAHLLOKOSA-N	302.334	1.490	50	20	DDGD	
C[C@H](CCO)C1(CNC(=O)NNC(=O)c2ccccc2)CCC1	271792169	JKTXGZANTRIYMW-CYBMUJFWSA-N	319.405	1.819	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccccc1CCC(F)(F)F	278049681	WVPMNCSWOFQMMY-UHFFFAOYSA-N	318.295	1.713	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2CCCCN2C(=O)C(C)C)n1	272516613	KHVOYQMATIOAQU-LBPRGKRZSA-N	320.393	1.570	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@H](C)SC	274341888	DVOABCLKIBIWGV-QMMMGPOBSA-N	318.420	1.293	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1cnc2c(c1)COCC2	374892500	IHALFNGRAMSRQF-UHFFFAOYSA-N	312.329	1.621	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NC2CC(F)(F)C2)c1	277431075	HJZRXYKNHHSVMZ-UHFFFAOYSA-N	313.304	1.502	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1	276055660	PUMBIJUXYNDKRY-CYBMUJFWSA-N	322.365	1.552	50	20	DDGD	
COC(=O)CSCCNC(=O)/C(C#N)=C\c1ccc(O)cc1	278863969	FDUGRQICSLOWEJ-WQLSENKSSA-N	320.370	1.322	50	20	DDGD	
O=C(CCOCC(F)F)NNC(=O)Nc1cc(F)cc(F)c1	283673039	GJKSNJCGFUPQOQ-UHFFFAOYSA-N	323.246	1.789	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	377648247	JMXYUMOGVZTAFB-CORIIIEPSA-N	306.337	1.331	50	20	DDGD	
COc1ccc(-c2ocnc2C(=O)NNC(=O)C2CCC2)cc1	289329972	GQSTUPDNFZTFPC-UHFFFAOYSA-N	315.329	1.911	50	20	DDGD	
C[C@@]12CCC(=O)N1[C@H](C(=O)NNc1cccc(F)n1)CS2	286675224	WJDOFNILQUTIBF-ISVAXAHUSA-N	310.354	1.118	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNC(=O)Nc1ccccc1C	281339478	URTDQDJWOGBTQG-UHFFFAOYSA-N	308.338	1.282	50	20	DDGD	
CCN1C[C@H](C(=O)NNC(=O)Nc2cccc(Cl)c2)CC1=O	283659624	DYBQCTHRJCJRJD-SECBINFHSA-N	324.768	1.361	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1ccc(OC)c(F)c1C	289013635	UZZBTRKIGSJPNA-UHFFFAOYSA-N	306.315	1.034	50	20	DDGD	
Cc1cc(C)nc(C(=O)NNc2nc(-c3ccncc3)no2)c1	801147546	WYLWZAIWGPKUBO-UHFFFAOYSA-N	310.317	1.900	50	20	DDGD	
N#CCN(CC(=O)NNC(=O)c1ccc(F)cc1)C1CCCC1	299238205	JXCGDJOECQKXOS-UHFFFAOYSA-N	318.352	1.355	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CSc2ccccc21)[C@@H]1CCCCO1	295297270	DVVGWMJZZAKHNI-NEPJUHHUSA-N	306.387	1.592	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c(C)c1OC	294299831	QUDZYDFHUWYHDG-ZANVPECISA-N	322.361	1.341	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)c2ccc(O)c(O)c2)[C@@H]1SC	807986531	LDBNVFHADXRBRF-STQMWFEESA-N	310.375	1.724	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)CCn2cnc3ccccc32)O1	294048783	YWPPMCIDBFTZNL-FZMZJTMJSA-N	316.361	1.141	50	20	DDGD	
O=C(NC[C@H]1CCOC1)NNC(=O)Nc1ccc(Cl)cc1	296187913	CDXOUSGNWQWTBO-SECBINFHSA-N	312.757	1.712	50	20	DDGD	
C[C@H]1CC(=O)CC[C@@H]1C(=O)NNc1ccc(-n2ccnc2)nn1	804956969	JYRKZTCSDOQWGC-JQWIXIFHSA-N	314.349	1.111	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)/C=C/c1cccs1	808046251	YCADONCOIAHSQO-CMDGGOBGSA-N	312.391	1.698	50	20	DDGD	
Cc1nc(C(=O)NNc2cccc(F)n2)nn1-c1ccccc1	804769739	MFBCQSGCKSWQOF-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
CC(C)(C)c1n[nH]cc1C(=O)NNC(=O)c1ccc(C#N)cc1	292902888	DVQALUNBJJYNQD-UHFFFAOYSA-N	311.345	1.654	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)c(C)nn1	803433747	ZDWBXXJQDZKGDB-UHFFFAOYSA-N	323.356	1.946	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc(NC(=O)C2CC2)cc1	294218102	QNQQSRBZRUMEKS-UHFFFAOYSA-N	301.346	1.596	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N[C@H](C1CC1)C(F)(F)F	808265029	VZKLCCBUAJNLFR-LLVKDONJSA-N	316.283	1.295	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2cccc(F)c2F)nc1	815606414	WNYJOUUFJZHZIW-UHFFFAOYSA-N	317.255	1.313	50	20	DDGD	
Nc1ccc2c(c1)C(=NNC(=O)C(=O)N1CCCC1)CCC2	814824974	SJLLUCMCJIYNEP-UHFFFAOYSA-N	300.362	1.048	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@@H]1CCc2nncn2C1	815971412	CSGLRZUEMFZDBT-CYBMUJFWSA-N	322.372	1.840	50	20	DDGD	
CCCCN(C)C[C@@H](C)NC(=O)NNC(=O)CC(F)(F)F	812506707	WHGRTRUAINNDCY-SECBINFHSA-N	312.336	1.390	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)C[C@H](C)n1cccn1	819389185	KDKXGXNROCQPHG-ZDUSSCGKSA-N	300.362	1.533	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2ncncc2F)CCO[C@H]1C1CC1	814320838	GSQQUCXTCBZHLS-FZMZJTMJSA-N	309.345	1.447	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)COc1ccc(F)cc1)n1cccn1	819007922	HJQGWCIMSCSLHC-LLVKDONJSA-N	320.324	1.200	50	20	DDGD	
CN(C[C@@](C)(O)c1ccccc1)S(=O)(=O)CBr	819913187	YXFIMHMZCFFSNV-LLVKDONJSA-N	322.224	1.508	50	20	DDGD	
COCC(C)(C)CNC(=O)NNC(=O)COCc1ccccc1	813839982	DVUBMEAPCYWSIQ-UHFFFAOYSA-N	323.393	1.206	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@H]2CCc3cccnc32)c1	816806794	NBXIUFOSXYAMFK-HNNXBMFYSA-N	324.384	1.639	50	20	DDGD	
Cn1ncc2cc(C(=O)NNc3cccc(Cl)n3)cnc21	817004615	JOVSMDHVLDLLHF-UHFFFAOYSA-N	302.725	1.774	50	20	DDGD	
CC(CCc1ccccc1)=NNC(=O)[C@@H](C)NS(C)(=O)=O	728436282	NFEYJYZUGHYEJC-GFCCVEGCSA-N	311.407	1.049	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(C)n(C2CCCCC2)n1	810300401	TXNDXAHXDKHUTK-UHFFFAOYSA-N	323.397	1.886	50	20	DDGD	
CC[C@@H](Nc1ccccc1)C(=O)NNc1nnc(C)c(O)n1	729857236	KDDDROHIQCNQJH-LLVKDONJSA-N	302.338	1.219	50	20	DDGD	
CC(C)(C#N)[C@@H]1CCCC1=NNC(=O)Cc1cc(O)nc(O)n1	814859844	CHQXDZBNJMMZGQ-SNVBAGLBSA-N	317.349	1.252	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)c1cccc(OC)c1O	812479740	PXWCBNBBUVUFRK-NXEZZACHSA-N	310.350	1.080	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2CCN(C)C2)c1C	729283014	KMDJKAKOGSLEFA-ZIAGYGMSSA-N	319.405	1.170	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2C	728307940	QFMGDLFZRFSPIT-JTQLQIEISA-N	318.377	1.253	50	20	DDGD	
C[C@H]1SCC[C@@H]1NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	828524679	FBMCFEVWXCVYSF-KCJUWKMLSA-N	324.362	1.433	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ncccc2O)cc1C	728203887	VSKLPUMYPRVUDH-UHFFFAOYSA-N	315.329	1.244	50	20	DDGD	
CN(NC(=O)Nc1cccc(CN2CCCC2=O)c1)C1CC1	824031702	VEPHGYRVAGLIIV-UHFFFAOYSA-N	302.378	1.940	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)[C@@H]1CC12CCSCC2	823974867	RFMNQDHXLQARON-ZDUSSCGKSA-N	319.430	1.779	50	20	DDGD	
O=C(NCc1cccc(CO)c1)NNC(=O)c1ccccc1F	729622203	ZMVWXQJWHUIBAY-UHFFFAOYSA-N	317.320	1.462	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)/C=C\c2cncc(F)c2)c1	491530742	CTSXEHUFXCDWGD-PLNGDYQASA-N	310.288	1.567	50	20	DDGD	
CCCN1CC[C@@H](NC(=O)NNc2cccc(C(=O)OC)c2)C1	823049404	RCOVPDDWWSUGHL-CQSZACIVSA-N	320.393	1.584	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(C(C)C)nc2onc(C)c12	823840951	AKMYFFGVTAOTRT-UHFFFAOYSA-N	306.366	1.614	50	20	DDGD	
CC(C)(C)N1C[C@@H](CNC(=O)NNc2ccccc2)CC1=O	823145366	AWYVHNZZYCYLPO-GFCCVEGCSA-N	304.394	1.960	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@H]21	491129640	HJPJQCLQRHGYEH-KHYMHZASSA-N	305.378	1.194	50	20	DDGD	
C[C@H]1Cc2cc(C(=O)NNC(=O)NC3CCCC3)ccc2O1	824343380	XCPIVTYVXFTOKQ-JTQLQIEISA-N	303.362	1.897	50	20	DDGD	
CN1CCCC(C)(C)[C@H]1CNC(=O)/C(C#N)=C\c1cnn(C)c1	491006530	DPBJIZTXQVKKMW-CKNOQMABSA-N	315.421	1.564	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NN=C2CCCS(=O)(=O)C2)c1	731925100	YJIPTNPGATWXRB-UHFFFAOYSA-N	324.402	1.363	50	20	DDGD	
O=C(NCc1cccc(C(=O)O)c1)NNC(=O)C1CCCC1	821446387	PFGUVFUQPJCFMA-UHFFFAOYSA-N	305.334	1.405	50	20	DDGD	
CSc1ccccc1CN(C)CC(=O)NNC(=O)C(C)C	829335936	KIFBDFWAADPWLC-UHFFFAOYSA-N	309.435	1.644	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)cc1)c1ccc2c(c1)CCC(=O)N2	585041498	YJBFXXVFAFQXOG-LBPRGKRZSA-N	324.189	1.102	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc(OCC)cc1	901965804	IJVYZABAEBKGBQ-UHFFFAOYSA-N	310.375	1.198	50	20	DDGD	
O=C(c1ccc(OC(F)(F)F)cc1)N1CC[C@@H](B(O)O)C1	585071186	OCRXZVYTWDNTJN-SECBINFHSA-N	303.045	1.274	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCOCCC(C)C	731498923	VNADWGORLVYWMI-UHFFFAOYSA-N	323.393	1.702	50	20	DDGD	
O=C([C@H]1CCCCN1Cc1ccccc1)N1CC[C@H](B(O)O)C1	585070535	ZFYSFCVMQCQPFZ-JKSUJKDBSA-N	316.210	1.116	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC[C@H](c2ccccc2F)C1	732201672	JZKNENNYCJYKSV-NEPJUHHUSA-N	307.369	1.561	50	20	DDGD	
C[C@@H]1C[C@@H](c2ccsc2)CN1C(=O)c1ccc(B(O)O)cc1	584949441	GKZGILCRHOESQV-BXUZGUMPSA-N	315.203	1.446	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1ccc(OC(C)(C)C)cc1	731284298	OROHVYYRCPVKOS-UHFFFAOYSA-N	323.393	1.731	50	20	DDGD	
Cc1nn2c(C=NNC(=O)[C@H]3CCCCO3)c(C)nc2s1	834987512	WWZGIMQZPBVACS-LLVKDONJSA-N	307.379	1.427	50	20	DDGD	
O=C(COCC1CC1)NNc1cccc(Br)n1	837210471	PCCPLJDRANUUPR-UHFFFAOYSA-N	300.156	1.714	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cc(C(=O)O)no1)c1ccccc1	833636445	RSJVJXRNYNAFEL-JTQLQIEISA-N	317.301	1.328	50	20	DDGD	
C[C@@H]1O[C@H](C)CC1=NNC(=O)c1csc(N2CCOCC2)n1	834929082	WOOZDEUGLVUEDI-ZJUUUORDSA-N	324.406	1.263	50	20	DDGD	
C[C@]1(C(=O)N[C@@H](CO)Cc2ccncc2)C[C@H]1Br	907668363	AHLPXUIBHGMBNB-WZRBSPASSA-N	313.195	1.275	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@H]1CCCC(=O)N1C	907233305	KAABKARRUMYFJR-CQSZACIVSA-N	312.373	1.997	50	20	DDGD	
CCc1c(C(=O)NNC(=O)[C@H]2CCCCO2)[nH]c(C)c1C(C)=O	833256654	QDVTVCLUYFAVOM-GFCCVEGCSA-N	321.377	1.418	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1[C@H](C)CCC1(C)C	839617205	YSRYOEYOBGOCOJ-CQSZACIVSA-N	317.433	1.948	50	20	DDGD	
C[C@@]1(c2cccs2)C[C@H]1CNC(=O)c1cccc(B(O)O)c1	584943932	HVLDLFLXUKHFBQ-BLLLJJGKSA-N	315.203	1.136	50	20	DDGD	
Cc1ccccc1C[C@@H](C)NCc1ccc(B(O)O)cc1F	585021572	XFYMGZLHIYOFBE-CYBMUJFWSA-N	301.170	1.535	50	20	DDGD	
OB(O)c1ccccc1CN[C@H]1CC[C@@H](c2cccc(F)c2)C1	585038483	AQZBOLIJAVJMOG-PBHICJAKSA-N	313.181	1.931	50	20	DDGD	
N=[S@@](=O)(c1ccc(N2CC[C@H](B(O)O)C2)cc1)C(F)(F)F	900964994	JJWFKICAYZCRGD-HXNGOWOSSA-N	322.117	1.665	50	20	DDGD	
O=C(NNc1c(F)cccc1F)N[C@@H]1C[C@@H]2CCCCN2C1=O	838746605	YUEVEGAHXUKXLI-JOYOIKCWSA-N	324.331	1.744	50	20	DDGD	
C[C@H]1CCc2c(F)cccc2[C@H]1NCc1ccccc1B(O)O	585026910	UAIOZVYEGAIBRY-SGTLLEGYSA-N	313.181	1.919	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cc[nH]c2)cc(OC)c1OC	731597185	BYMFRJUFHZQALX-UHFFFAOYSA-N	319.317	1.115	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)O)o1)c1cnn(-c2ccccc2)c1	739453520	KJOSGDZOELXGFR-UHFFFAOYSA-N	324.296	1.927	50	20	DDGD	
CCN1C[C@@H](NC(=O)NNc2c(C)cc(C)cc2C)CC1=O	838675527	MVTDSBVWSWDRAB-ZDUSSCGKSA-N	304.394	1.859	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)OCCCC(=O)O)cc(C#N)n1C	738192160	UYAQSRQMQTYNQK-SDQBBNPISA-N	301.302	1.520	50	20	DDGD	
O=C(Cc1c[nH]c2ccc(F)cc12)NNC(=O)c1ccccn1	734417509	GIANUUPKJJYDHT-UHFFFAOYSA-N	312.304	1.706	50	20	DDGD	
COC[C@H](C)CNC(=O)NNC(=O)COc1cc(C)ccc1C	737064652	JGWXCJDGUSWDPW-GFCCVEGCSA-N	323.393	1.295	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NCCC(F)(F)F)cc1	836336741	ZLWWRFZTLSTVID-UHFFFAOYSA-N	320.271	1.983	50	20	DDGD	
COc1nccc(C=NNC(=O)[C@@H](C)CN2CCCCC2)n1	834935834	WVYCTSUNPLVJAW-LBPRGKRZSA-N	305.382	1.057	50	20	DDGD	
C[C@H]1CC[C@@H](CNC(=O)NNC(=O)c2cc3ccccc3o2)O1	838741393	CVFBIPWGMIMLKU-JQWIXIFHSA-N	317.345	1.944	50	20	DDGD	
C[C@H](CC(C)(C)C)NC(=O)NNC(=O)COc1ccccc1O	836684508	IDMNUIUVLYADSS-LLVKDONJSA-N	323.393	1.926	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2nnc(C3CC3)s2)n1	918540814	COWWLMCFHNAXLT-UHFFFAOYSA-N	305.367	1.971	50	20	DDGD	
CC(F)(F)CCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	915800007	IMKBASSZRYDJOT-UHFFFAOYSA-N	301.249	1.791	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H](c1ccccc1)N1CCCCC1=O	910163520	DULNNGNKBDSWFK-XJKSGUPXSA-N	319.405	1.084	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cn(C(C)C)nc2C)c(O)c1	848370665	FRNWPQOXVVIUKH-UHFFFAOYSA-N	316.361	1.861	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)NCC(F)(F)F)CCc2ccccc21	843875949	FEBQMCVWUXBRGU-CYBMUJFWSA-N	315.295	1.783	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccc2n[nH]cc2c1	746687005	BDDOQQNHSURBEQ-UHFFFAOYSA-N	324.340	1.575	50	20	DDGD	
CCNC(=O)NNC(=O)C1(c2ccc(C)c(OC)c2)CCC1	749585973	UJHITAAFZBIURG-UHFFFAOYSA-N	305.378	1.776	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@@H](CN)CC(C)C)c1ccccc1	841955144	ZDYJUWMLMCDDHE-CABCVRRESA-N	320.437	1.884	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COC[C@@H](C)c2ccccc2)n[nH]1	845903887	VKHKNNHLKXULNY-LLVKDONJSA-N	316.361	1.299	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CCc2cccc(Cl)c2C1	841617420	YCZHCQMCJHJXEE-UHFFFAOYSA-N	307.781	1.826	50	20	DDGD	
O=C(C[C@@H]1COC(=O)C1)NNc1ccc(OC(F)F)cc1	748661235	NPVUSZCYGAMTDE-QMMMGPOBSA-N	300.261	1.684	50	20	DDGD	
NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1cc(Cl)ccc1Cl	847600070	BAVMOVDARLOQPU-SFYZADRCSA-N	302.161	1.948	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CC(F)(F)F)c(C(F)(F)F)n1	918367118	NEOVGQJPFFIBHR-UHFFFAOYSA-N	318.177	1.152	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)c2ncoc2CC)c1	740177838	VJRWWPOPSAULEI-UHFFFAOYSA-N	314.370	1.850	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCC[C@H]21)c1cnn(-c2ccccc2)c1	748851717	JVGNPYLFANWDJF-FICVDOATSA-N	310.357	1.679	50	20	DDGD	
C[C@@H](CC(=O)c1ccccc1F)C(=O)NNc1cnccn1	743412886	WDUKRXJYSCYIAD-JTQLQIEISA-N	302.309	1.968	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1COCC[C@@H]1c1ccccc1	841384701	ZEIXOUSPEOQHLW-HUUCEWRRSA-N	319.405	1.937	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccn(-c2ccccc2)n1	843641480	CJPUMGQKYFNEPF-AAEUAGOBSA-N	314.345	1.058	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@@H]1CCc2cncn2C1	844133562	ZUEUTJMXVDEGKJ-GFCCVEGCSA-N	324.344	1.639	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cc1ccc(Cl)s1	843655252	MAAQQKJDHDOKIN-IONNQARKSA-N	302.783	1.516	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSc1nnc(C(C)(C)C)o1	742450542	DEFGVDXEHJVJPY-UHFFFAOYSA-N	314.411	1.653	50	20	DDGD	
COc1cc(C(C)=NNC(=O)[C@@H]2CCO[C@H]2C)cc(OC)c1O	842549228	IHUYUVCVHNPJSN-CMPLNLGQSA-N	322.361	1.675	50	20	DDGD	
CCOc1cccc(NC(=S)NNC(=O)N2CCOCC2)c1	742991229	QFJWPIBKTFVRHS-UHFFFAOYSA-N	324.406	1.329	50	20	DDGD	
COc1c(O)ccc(C=NNC(=O)[C@@H]2CCO[C@H]2C)c1[N+](=O)[O-]	842548833	CSDVVJUNYKHGPD-WCBMZHEXSA-N	323.305	1.184	50	20	DDGD	
C[C@]1(O)CCCN(C(=O)NC[C@@]2(C)C[C@H]2Br)C1	856955450	XCGDIEXMWMNWOF-JLLWLGSASA-N	305.216	1.716	50	20	DDGD	
O=C(NNC(=O)C(=O)Nc1ccc(Cl)cc1)NC1CCCC1	744054241	YFWCSVLHRWSGJZ-UHFFFAOYSA-N	324.768	1.552	50	20	DDGD	
COc1nc2sccn2c1C=NNC(=O)c1cccnc1	744555190	ICJXJFUTADKWFR-UHFFFAOYSA-N	301.331	1.563	50	20	DDGD	
COc1ccnc(NNC(=O)c2cnc3n2[C@@H](C)CCC3)n1	845181312	HLQXTHMRGMQIFT-VIFPVBQESA-N	302.338	1.336	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCC(=O)N(CC)c1ccccc1	927689922	POFYULHNYHVJDV-SEYXRHQNSA-N	301.346	1.600	50	20	DDGD	
CCC/C(C)=C\C(=O)OCC(=O)NNC(=O)c1ccccc1	920694597	YNCVSCODTOKHDL-BENRWUELSA-N	304.346	1.737	50	20	DDGD	
COC(=O)c1cc(F)cc(C(=O)NNC(=O)OC(C)(C)C)c1	929190199	UZMPDAZTVBRXBW-UHFFFAOYSA-N	312.297	1.782	50	20	DDGD	
CN1CC[C@@H]2CN(C(=O)NC[C@]3(C)C[C@H]3Br)C[C@@H]21	856896473	CNEDIXZDGHYEEP-XZUYRWCXSA-N	316.243	1.505	50	20	DDGD	
Cc1[nH]c2ccccc2c1C=NNC(=O)C(=O)Nc1ccccn1	758381156	RBBQYIQWFMEZHK-UHFFFAOYSA-N	321.340	1.960	50	20	DDGD	
CSSCCNC(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1	852315871	YLHOKRQKRKSOEO-ZJUUUORDSA-N	303.453	1.308	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccccc2)cc(OC)c1O	754383401	CVOUJMBEMWTBBO-UHFFFAOYSA-N	316.313	1.484	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2ccnc(N(C)C)c2)c[nH]1	753165815	NWWCUSRDDJHYSD-UHFFFAOYSA-N	315.333	1.026	50	20	DDGD	
Cc1ocnc1CNC(=O)NC[C@@]1(C)C[C@H]1Br	856845312	NGQYNQPMHSDHLO-MWLCHTKSSA-N	302.172	1.956	50	20	DDGD	
CC[C@@H](C)n1nc(NC(=O)NNC(=O)Cc2cc[nH]n2)cc1C	757910820	QPDCWQYUIDFQCW-SECBINFHSA-N	319.369	1.281	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)[C@H]2CCCCO2)cc1C	852538232	VCCDGIHHEFTULS-OAHLLOKOSA-N	319.405	1.745	50	20	DDGD	
C[C@H](O)[C@@H]1CCN(C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	856953590	SEZXGHCYEOMBGY-MIZYBKAJSA-N	305.216	1.572	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)CSC(F)(F)F)C1CC1	855103142	RGRKOZOGRCDUKQ-YFKPBYRVSA-N	301.359	1.533	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1C[C@]12C(=O)Nc1ccccc12	929189782	OXIOMXICKXRQSK-MGPLVRAMSA-N	317.345	1.452	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@@](C)(O)C2CC2)c1C	855625821	JSJFNOTUEMQGEP-MRXNPFEDSA-N	306.362	1.776	50	20	DDGD	
Cn1c(=NNC(=O)C2(O)CCCCC2)sc2ccccc21	754966411	MTINGRWWZPIYDT-UHFFFAOYSA-N	305.403	1.867	50	20	DDGD	
CC(=O)N[C@@H](CCC(C)C)C(=O)NNC(=O)CC(F)(F)F	854997270	BUCXLPUHWDPESX-VIFPVBQESA-N	311.304	1.027	50	20	DDGD	
CC[C@H]1COCC1=NNC(=O)c1nnc(O)c2ccccc12	853271940	OYVHOTXEWOJYHJ-VIFPVBQESA-N	300.318	1.478	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cc1F	853388132	CLRVTJHHSWUQFP-DOMZBBRYSA-N	321.352	1.148	50	20	DDGD	
C[C@@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)Cc1ccccc1F	759767104	LLEXDMAYRDIAKI-RYUDHWBXSA-N	323.368	1.514	50	20	DDGD	
CC(C)C1(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)COC1	935859566	DDWBTLWSZAHZGV-UHFFFAOYSA-N	320.393	1.578	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1ccc(F)cc1N(C)C	759196861	OVTMFTAZYKYAFN-UHFFFAOYSA-N	303.341	1.779	50	20	DDGD	
C[C@@]1(CNC(=O)c2cnc3[nH]nnc3c2)C[C@@H]1Br	857732522	ASIIFBPZOKZZCI-KWQFWETISA-N	310.155	1.256	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ncc(C#N)cc1Cl)C1CC1	855098070	DDQGSMKKUWSNKA-SSDOTTSWSA-N	323.809	1.514	50	20	DDGD	
C[C@H](CNC(=O)NC[C@@]1(C)C[C@@H]1Br)N(C)C1CC1	856840508	RCWAVPZISYKTTO-SUZMYJTESA-N	318.259	1.942	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)Cc1cccnc1)C1CCCC1	852059487	FPABBQVKENZQQG-CQSZACIVSA-N	320.393	1.160	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NN=Cc1cocn1	853377150	HNMKZCMVWKALRC-DGCLKSJQSA-N	303.322	1.026	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)cc(Cl)c1O)NC1CC1	930721225	XFIMVWCITBWPAS-UHFFFAOYSA-N	304.133	1.805	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@H](C)C2)cc[nH]1	862510355	DJOSPEMGVLJELB-LZWOXQAQSA-N	320.437	1.389	50	20	DDGD	
OB(O)c1ccccc1CNCCC[C@@H]1CC1(Cl)Cl	863889355	ADGXDRJYBXFWJV-LLVKDONJSA-N	302.010	1.430	50	20	DDGD	
CCOc1cccc(C=NNC(=O)COc2ccc(C#N)cc2)n1	763125224	JFVWQGIUKRFZTR-UHFFFAOYSA-N	324.340	1.881	50	20	DDGD	
Cn1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)c1	763212370	KIHCRCXBHSUUOT-UHFFFAOYSA-N	310.313	1.755	50	20	DDGD	
COc1nc2sccn2c1C=NNC(=O)c1cc(C)[nH]n1	764798117	ZYFMZXBLXFBDQF-UHFFFAOYSA-N	304.335	1.200	50	20	DDGD	
CNc1snc(C)c1C(=O)NNCC(F)(F)C(F)(F)F	863091470	VDBJYRAPTXDCJS-UHFFFAOYSA-N	318.271	1.925	50	20	DDGD	
COc1nc(N(C)C)sc1C=NNC(=O)c1cccnc1	767013141	ZABYPZGXVDMLRI-UHFFFAOYSA-N	305.363	1.377	50	20	DDGD	
CCO[C@H](C)c1ncc(C(=O)NNC(=O)c2cn[nH]c2)s1	862472421	ZKPREDAABWPIEF-SSDOTTSWSA-N	309.351	1.039	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1OC	764080996	BNCNYNYVFIFVOL-JTQLQIEISA-N	307.350	1.136	50	20	DDGD	
CC[C@](C)(O)C(=O)NNC(=O)c1c(Cl)cccc1Cl	931799910	QOTGOKCCSJSSEI-LBPRGKRZSA-N	305.161	1.915	50	20	DDGD	
O=C(C[C@@H]1CCCC[C@H]1O)NNCC(F)(F)C(F)(F)F	863099203	CJERQFBTESJGNZ-JGVFFNPUSA-N	304.259	1.746	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21)C(F)(F)F	862321698	CGWACWOCOITXLK-SGIHWFKDSA-N	307.316	1.253	50	20	DDGD	
CSCc1ccccc1NC(=O)NNC(=O)c1cnccn1	760074040	OWDZSFHWYAIZGV-UHFFFAOYSA-N	317.374	1.806	50	20	DDGD	
CN(C)c1ccc2c(c1)NC(=O)C2=NNC(=O)c1ccc(O)cc1	761745370	WJSAYAFDBBXIRJ-UHFFFAOYSA-N	324.340	1.544	50	20	DDGD	
CC(C)(C)Oc1ccc(NC(=O)NNC(=O)CCO)cc1C#N	1117793310	KNGPDYJPSWILJP-UHFFFAOYSA-N	320.349	1.271	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cccc3cc[nH]c23)nn1	1116726160	CXNCSQJTLCIRDE-UHFFFAOYSA-N	310.317	1.348	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](C)Oc1ccc(C#N)cc1	764469895	RQDHDLDMIKAZBH-SNVBAGLBSA-N	313.317	1.267	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=Cc1ccc(Cl)nc1	763192895	JEIBOWLUZOVZOX-UHFFFAOYSA-N	317.736	1.010	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2CCCC(=O)N2)cc1C	873762802	CULAHCSDHMSZLY-GFCCVEGCSA-N	320.418	1.290	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNC(=S)Nc1cccc(C)c1	873776282	BUGUHNCKJPTLCV-LLVKDONJSA-N	323.418	1.902	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc(N2CCCCC2)cc1	872402814	DYMFIOFCIDAVDC-UHFFFAOYSA-N	319.405	1.790	50	20	DDGD	
CCOC(=O)NNC(=O)CC1CCN(CC(F)(F)F)CC1	873742209	TVBOTAWDAWTROQ-UHFFFAOYSA-N	311.304	1.428	50	20	DDGD	
C=CCSc1ccccc1C(=O)NNc1nccn(C)c1=O	777158320	DMQUEYSRSMKHTJ-UHFFFAOYSA-N	316.386	1.815	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)C1(C(=O)OC)CC1	773637172	BDLCFEGJEOLAIU-UHFFFAOYSA-N	310.281	1.009	50	20	DDGD	
CCC1(C(=O)NNC(=O)Cc2ccccc2F)CCOCC1	778721347	FAOCWDFAHRRBCK-UHFFFAOYSA-N	308.353	1.722	50	20	DDGD	
C[C@H]1CC[C@H](C(=O)NNc2nccc(N3CCOCC3)n2)C1	776489047	UOFAOPCBXFMXQG-RYUDHWBXSA-N	305.382	1.193	50	20	DDGD	
CC(=O)Nc1ccc(NC(=O)NNc2ncccn2)cc1C	775476258	YSIVGTBOTQASOX-UHFFFAOYSA-N	300.322	1.892	50	20	DDGD	
CCOCCC(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	772968962	IZYAPPYSSPZETJ-JTQLQIEISA-N	314.769	1.681	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(OC)ccc1OC(F)F	878232078	OXVXQFRKNIJYGS-UHFFFAOYSA-N	319.308	1.911	50	20	DDGD	
CC[C@@H](NNC(=O)[C@@H]1CCCCO1)C(=O)Nc1ccc(C)cc1	871886922	HDPQLFQKEAOGER-CABCVRRESA-N	319.405	1.902	50	20	DDGD	
CO[C@H]1CCC[C@@H]1CNC(=O)NNC(=O)c1ccccc1C	774659187	MCJCSKPGISFKIU-OCCSQVGLSA-N	305.378	1.754	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2CC[C@H]2C(N)=O)cc1C	873762034	NRBYGZFBLSXDMH-NEPJUHHUSA-N	320.418	1.133	50	20	DDGD	
COCOc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	879912242	BFUSPGHSINCZBD-GXFFZTMASA-N	323.349	1.247	50	20	DDGD	
C[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1	1118978261	KHILIMCYYZXOPV-VIFPVBQESA-N	316.191	1.200	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)n1	875305318	PDXIHRGVBORZSS-QWHCGFSZSA-N	319.409	1.806	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNC(=S)Nc2ccccn2)n1	874957561	OQYKNPCSFDHGFH-JTQLQIEISA-N	318.406	1.240	50	20	DDGD	
CCNC(=O)CCC(=O)NNc1ccnc(Br)c1	771551579	JHRUKKVBIHONQP-UHFFFAOYSA-N	315.171	1.204	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CC(F)(F)F)cc1Cl	777781115	OIHPUABSXCFWJT-UHFFFAOYSA-N	305.643	1.925	50	20	DDGD	
COCCNC(=O)C1CCN(C[C@H](C)CBr)CC1	770646691	RCRPNIVCIGKFBA-LLVKDONJSA-N	321.259	1.492	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NN=C1CCc2cccnc21	884447877	LZGJHIOUDSFEQS-UHFFFAOYSA-N	318.377	1.763	50	20	DDGD	
O=C1CCCN1[C@H]1CCCN(S(=O)(=O)CCCCl)C1	881880504	HUDYLYJEAQFZKM-NSHDSACASA-N	308.831	1.032	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2occ3c2CCC3)cc1O	882051187	OEHSLNYCAWCEBD-UHFFFAOYSA-N	300.314	1.857	50	20	DDGD	
O=C(CCCc1ccccn1)NNc1ccc(-n2ccnc2)nn1	788177205	CRMOHAFRWSGZRC-UHFFFAOYSA-N	323.360	1.523	50	20	DDGD	
CC(=NNC(=O)c1cccc(S(C)(=O)=O)c1)[C@]1(C)CCCO1	782199699	NYFOCYKNQIBUIC-HNNXBMFYSA-N	324.402	1.765	50	20	DDGD	
CC(C)(C)CN(CCCO)S(=O)(=O)CBr	782461589	JLAZGOWSLDABEW-UHFFFAOYSA-N	302.234	1.399	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc(-n2cccc2)nc1	883065835	XPRIYMGCTRXZLI-UHFFFAOYSA-N	314.345	1.060	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCCc2nccn2C(F)F)cn1	1123951144	ZPBLOARFBVODSZ-IZZDOVSWSA-N	320.303	1.278	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc2c(c1)C[C@H](OC)C2	785863740	JWZWFLAUVSEMHT-CYBMUJFWSA-N	306.366	1.498	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)nn1	787435057	XRGYOJLCENKHEC-CQSZACIVSA-N	308.345	1.970	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@H]1OCCc2ccccc21	781820073	PSACNKQSSDAIRJ-LBPRGKRZSA-N	304.737	1.887	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc2ccccc2c(=O)o1	899996355	UDTHFFXZIXZSMP-UHFFFAOYSA-N	319.386	1.700	50	20	DDGD	
C=CCc1ccc(OCC(=O)NN(C)C(=O)NCC)c(OC)c1	780709597	QVCNSVMSYXYFHV-UHFFFAOYSA-N	321.377	1.495	50	20	DDGD	
C[C@H]1CCCC[C@@H]1C=NNC(=O)Cc1cc(O)nc(S)n1	783823038	YXUHBYZQPRKKBC-VHSXEESVSA-N	308.407	1.942	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)[C@@H]1CCc2nccn2C1	788000554	WUPYNTXPTORDBS-LLVKDONJSA-N	308.345	1.532	50	20	DDGD	
COC(=O)N[C@@H](CC(C)C)C(=O)NNC(=S)NC(C)(C)C	899991910	FEYQXMRXIFYUMM-VIFPVBQESA-N	318.443	1.051	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])cc1	791147665	GJBAOSCVZPFHIZ-UHFFFAOYSA-N	318.264	1.590	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCOc2cc(F)ccc21	794914271	GKJCDCQFRYXAJF-SNVBAGLBSA-N	310.325	1.480	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl	792907666	UJQNGSZMXYPWLJ-SBMIAAHKSA-N	322.236	1.448	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cccc2c1CCO2	797671944	SNWBNKJECGMNFP-UHFFFAOYSA-N	301.306	1.569	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC2(CC#N)CC2)c1	797566609	OSBYMIHWSNYVNH-UHFFFAOYSA-N	302.334	1.793	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)c1cc(Cl)ccc1O	794901682	IYVKFXMRPXBTNH-PRHODGIISA-N	314.769	1.868	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=Cc1c(C)cnn1C	794865623	RNXYVMTVXAGTOG-UHFFFAOYSA-N	316.361	1.656	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1ccc(OC)cc1)[C@H]1CCCO1	1319599614	IXWRONDJFFGYMS-ZIAGYGMSSA-N	321.377	1.597	50	20	DDGD	
Cc1cn(CC(=O)NNC(=O)N=c2cc[nH]cc2)c2ccccc12	1325262007	KOBGGBQDNUFQFO-UHFFFAOYSA-N	323.356	1.620	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ccc(NC3CC3)nc2)c1Cl	1324050240	NVDQOMLTYQYRQE-UHFFFAOYSA-N	319.756	1.438	50	20	DDGD	
C/C(NNC(=O)C[n+]1ccccc1)=C1/C=C(Cl)C=CC1=O	1248410880	PIDFXIJLLJSVFH-UHFFFAOYSA-O	304.757	1.131	50	20	DDGD	
C[C@@](NC(=O)CCl)(C(N)=O)c1cccc(C(F)(F)F)c1	1323269285	LBYLABUGERFRFL-NSHDSACASA-N	308.687	1.761	50	20	DDGD	
CC[C@@H](CC(F)(F)F)C(=O)NNC(=S)NCCSC	1326502177	LRIBXLQAYSYPHO-ZETCQYMHSA-N	317.402	1.823	50	20	DDGD	
COCCOCC(=O)NN=Cc1nc2c(s1)C[C@H](C)CC2	1330108037	GCKXJNVTLHCYEL-SNVBAGLBSA-N	311.407	1.381	50	20	DDGD	
Cc1cccc(CN2CCCC[C@H]2C(=O)NN(C)C[C@@H](C)O)c1	1332150751	ZTSGMSLXXHIFRV-WBVHZDCISA-N	319.449	1.693	50	20	DDGD	
COC(=O)[C@H]1C[C@H](NC(=O)NNc2ccc(C(C)(C)C)nn2)C1	1347382247	YIRXDUTVDMIJET-MGCOHNPYSA-N	321.381	1.352	50	20	DDGD	
NCC12CCC(CC1)N2C(=O)NNc1ccc(C(=O)O)c(F)c1	1601184268	IWEQZJQKMIFYAL-UHFFFAOYSA-N	322.340	1.516	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc(/C=C/C(=O)O)o1)C1CC1	1604319996	VDFSLARDRNMYMT-IVGLGHLBSA-N	323.374	1.285	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN[C@@H](C(=O)O)c1ccc(Cl)cc1	1604833744	FQNNZSRHTIIKPV-KPXOXKRLSA-N	312.753	1.512	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc(C(=O)O)c1	1600270992	WJCWLLZHZKWCON-SKDRFNHKSA-N	321.333	1.271	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NN[C@@H](C(=O)O)C2CC2)c1C	1600543019	DOLNPFVPOFCKHI-SMDDNHRTSA-N	306.362	1.555	50	20	DDGD	
O=C(O)C[C@]1(NC(=O)C2CCC(Cl)CC2)CCCOC1	1601925053	KQRXUWJVKWPVGW-QIMFLAQGSA-N	303.786	1.924	50	20	DDGD	
O=C(O)C1(C(=O)NNc2nc3ccccn3n2)CC2(CCC2)C1	1601702218	DNQVFJKGYHVTQV-UHFFFAOYSA-N	315.333	1.208	50	20	DDGD	
O=C(C1CCC(Cl)CC1)N1C[C@H]2COC[C@@]2(C(=O)O)C1	1605660961	YBDWOTDRZPLVFD-JHSKNCOYSA-N	301.770	1.344	50	20	DDGD	
O=C(O)/C=C/c1ccc(C(=O)NN=c2cc[nH]cc2Cl)o1	1608658137	OITAUQCFSDPRFD-DUXPYHPUSA-N	307.693	1.605	50	20	DDGD	
N[C@H](CCC(=O)O)C(=O)NNc1ccccc1C(F)(F)F	1601173468	DDCDLKDNWMLELD-MRVPVSSYSA-N	305.256	1.341	50	20	DDGD	
O=C(O)C[C@]1(NCCCI)CCOC1	1601934758	KYXXZLGFRPEGHP-SECBINFHSA-N	313.135	1.035	50	20	DDGD	
COc1ccc2nc(NNC(=O)[C@@H](OC)C(=O)O)c(C)cc2c1	1604851366	MRTIBCRVWKCIRM-GFCCVEGCSA-N	319.317	1.095	50	20	DDGD	
COCC[C@@H](NC(=O)/C(C#N)=C/c1ccc(F)cc1)C(=O)O	1610254108	DZTOTQNGWKJFHG-RUNBWSAHSA-N	306.293	1.339	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C2=CCCNCC2)cc1C	1579726962	DSTMOGQKGJDEJW-UHFFFAOYSA-N	317.389	1.139	50	20	DDGD	
Cc1c(NNC(=O)C2([C@@H](C)N)CCOCC2)cccc1[N+](=O)[O-]	1579541354	SMCJRJAAQKIWEL-LLVKDONJSA-N	322.365	1.490	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@@H]1CCCC[C@H]1N	1578505843	BDNXNQYFIIYVSR-ZIAGYGMSSA-N	305.378	1.804	50	20	DDGD	
NCCCCCC(=O)NNC(=O)c1cccc2c1CCOC2	1580292563	BSFXBAKQWQSUTL-UHFFFAOYSA-N	305.378	1.039	50	20	DDGD	
C=CC[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1845978973	GYAYFVYDGMKRSI-GHMZBOCLSA-N	302.777	1.936	50	20	DDGD	
O=C(C[C@H]1CCNC1)NNC(=O)NCc1ccc(Cl)cc1	1580566244	OYTOYKXNCKBBNN-LLVKDONJSA-N	310.785	1.170	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccc(C(=O)O)cc1F)N(C)C1CC1	1592676811	ZINOJPXDLVABPE-VIFPVBQESA-N	324.356	1.633	50	20	DDGD	
O=C(Cc1ccoc1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	1592928044	IWLCUYYLAQZZGN-UHFFFAOYSA-N	319.712	1.194	50	20	DDGD	
COC(OC)[C@@H](C)NC(=O)NNc1ccc(C(=O)O)c(F)c1	1599061925	PATSRJUREWUVPL-SSDOTTSWSA-N	315.301	1.157	50	20	DDGD	
Cn1nc(C2CC2)nc1/C(C#N)=C\c1csc(-c2nn[nH]n2)c1	1592596320	PNIWENBWUQVVKP-WMZJFQQLSA-N	324.373	1.998	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1cc(-c2nn[nH]n2)ccc1F	1593166843	AYQSHEFEHGLJOM-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNc1ccc(C(=O)O)c(F)c1	1597730848	ZXRRJTYPROGMRX-UHFFFAOYSA-N	318.308	1.942	50	20	DDGD	
CCc1cc(C(=O)O)c(C=NNC(=O)N2CCOCC2)s1	1776039916	VQQDNWANCWLMPH-UHFFFAOYSA-N	311.363	1.384	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=Cc1ccc(C(=O)O)nc1	1776016674	ALFGMHAVCYPGJJ-UHFFFAOYSA-N	323.312	1.500	50	20	DDGD	
CC(=NNC(=O)c1cccc(Cl)n1)c1cncc(C(=O)O)c1	1776092622	VSNQFVLUXUWZDG-UHFFFAOYSA-N	318.720	1.982	50	20	DDGD	
C[C@H]1CC(NC(=O)NNC(=O)c2ccc(C#N)cc2)C[C@H](C)O1	158120817	JLIRCTUIUYVNOL-QWRGUYRKSA-N	316.361	1.458	50	20	DDGD	
CNc1nc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cs1	158286211	YLPZXQLVJMQPPU-UHFFFAOYSA-N	321.318	1.168	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1oc(C)cc1C	175718977	SFTRQQXBYUOIMH-UHFFFAOYSA-N	318.329	1.745	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(-c2ccccc2C)nn1C	153496021	ILQRKFCMTPZMNP-UHFFFAOYSA-N	317.349	1.195	50	20	DDGD	
CC(C)Nc1ncccc1C(=O)NNc1ncccc1[N+](=O)[O-]	153623249	BLGSXRNOAFEOAU-UHFFFAOYSA-N	316.321	1.962	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1ccn(-c2ccccc2)n1	156303429	SRZSQZCIERBVDR-UHFFFAOYSA-N	320.316	1.296	50	20	DDGD	
Cc1cccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c1F	159755241	HKJAIWPARVHSMS-NSHDSACASA-N	314.382	1.240	50	20	DDGD	
CC(=O)N/C(=C/c1ccccc1)C(=O)NNC(=O)c1ccccc1	209636440	ZFVBJHUVCNKCMM-FOWTUZBSSA-N	323.352	1.625	50	20	DDGD	
O=S(=O)(CBr)NCc1ccc(F)cc1F	127420868	UTHBVLIKHRRWPY-UHFFFAOYSA-N	300.124	1.737	50	20	DDGD	
C[C@@H](O)[C@@H]1CCN(S(=O)(=O)c2ccc(CCl)cc2)C1	311384706	OJCKLNNJJLLHGQ-ZYHUDNBSSA-N	303.811	1.817	50	20	DDGD	
COCC(COC)NS(=O)(=O)c1ccc(CCCl)cc1	384441577	YTZCJSZHXBTQGR-UHFFFAOYSA-N	321.826	1.408	50	20	DDGD	
Cc1nccc(C(=O)NNC(=O)Cn2ccc3ccccc32)n1	170899648	IPYHKDXYUIJQIY-UHFFFAOYSA-N	309.329	1.201	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)c1ccoc1	53367923	JYBHZLSSBVMUTB-UHFFFAOYSA-N	312.329	1.653	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H]2CCCN(C(C)C)C2)nn1	106339415	FSNYVJMBZGUXEG-CYBMUJFWSA-N	306.414	1.532	50	20	DDGD	
O=C(NNc1ccc(F)cc1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1	175886376	MIBMFFONKONRNW-SECBINFHSA-N	303.297	1.045	50	20	DDGD	
COC[C@@H]1CCCN(CC(=O)NNC(=O)c2ccc(C)cc2)C1	112988185	LEZACMVOPOGJRK-CQSZACIVSA-N	319.405	1.114	50	20	DDGD	
C[C@H](OCC1CC1)C(=O)NNC(=O)CCc1ccccc1O	106285787	HOMWCIZYPIQOOD-NSHDSACASA-N	306.362	1.287	50	20	DDGD	
C[C@@H](OC[C@H]1CCCO1)C(=O)NNc1ccc(Cl)nn1	118497134	SZZWZWAHPDQSSV-RKDXNWHRSA-N	300.746	1.157	50	20	DDGD	
C[C@@H](C(=O)NNc1nc(C(F)(F)F)cs1)n1cncn1	176830488	FELZLGGWLBZMJV-YFKPBYRVSA-N	306.273	1.458	50	20	DDGD	
COc1ccc(CCCC(=O)NNC(=O)c2cccnc2)cc1	61341971	AFLSBBYITKEWCL-UHFFFAOYSA-N	313.357	1.874	50	20	DDGD	
CCc1c(C(=O)NNC(=O)NCC2CC2)[nH]c(C)c1C(C)=O	65191737	MQZCVEWJRARCAC-UHFFFAOYSA-N	306.366	1.442	50	20	DDGD	
O=C(CCc1nnc(-c2ccccc2)o1)NNc1cnccn1	172264374	YYWJDUAPCGAFGA-UHFFFAOYSA-N	310.317	1.603	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Cc2cn3ccccc3n2)cc1	68376897	VOPOGMADRXDBEU-UHFFFAOYSA-N	322.368	1.900	50	20	DDGD	
CCNC(=O)NNC(=O)CCCNc1ccc([N+](=O)[O-])cc1	65190791	ZBOUOSDIWZOUOU-UHFFFAOYSA-N	309.326	1.137	50	20	DDGD	
C[C@@H](Oc1cccc(F)c1)C(=O)NNC(=O)NCc1ccco1	122790293	JJHVAGGAUFGFFD-SNVBAGLBSA-N	321.308	1.717	50	20	DDGD	
O=C(CCSc1ccc(F)cc1)NNC(=O)c1ccnnc1	129244977	FKDGVFQDJKTBKG-UHFFFAOYSA-N	320.349	1.559	50	20	DDGD	
Cc1cc(NNC(=O)c2csc([C@H]3CCCO3)n2)ncn1	178989217	UKXSCYQFGMTOSG-SNVBAGLBSA-N	305.363	1.850	50	20	DDGD	
O=C(NNC(=O)C1(c2ccc(Cl)cc2)CC1)[C@@H]1CCCO1	32260639	DKEIOPJGSYFRQU-LBPRGKRZSA-N	308.765	1.698	50	20	DDGD	
CC(C)CCn1cc(C(=O)NNC(=O)c2ccccc2)nn1	126842194	ZUDAKDXCYRRORE-UHFFFAOYSA-N	301.350	1.399	50	20	DDGD	
C#CCNC(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1	79264284	PZVGGMXBUQAJDH-UHFFFAOYSA-N	321.280	1.239	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)C(=O)Nc1cccnc1C	189185307	UMFIMMYLKSCFJU-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NNc2ccncc2)C1	180463037	FQBKYKWUOWVHJZ-CHWSQXEVSA-N	304.394	1.809	50	20	DDGD	
C=CCOCCCC(=O)NNc1cccc(S(C)(=O)=O)c1	181119013	CRHADZKWBBHMFH-UHFFFAOYSA-N	312.391	1.516	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CC2CCCC2)c(C)c1	125873621	CBWJJMGLDVRAQP-UHFFFAOYSA-N	317.389	1.970	50	20	DDGD	
O=C(NNC(=O)c1cccc(OC(F)F)c1)C1=CCCCO1	73376568	VLLAYZHBLOUSNG-UHFFFAOYSA-N	312.272	1.743	50	20	DDGD	
CCCn1cc(NC(=O)C(=O)NNc2c(C)cccc2F)cn1	187450215	MVOFROMJKNPODG-UHFFFAOYSA-N	319.340	1.822	50	20	DDGD	
O=C(CSc1nc2ccccc2[nH]1)NNC(=O)C1CCC1	73061560	BCFQYRMRJSYFFZ-UHFFFAOYSA-N	304.375	1.603	50	20	DDGD	
O=C(CCc1ccc(Cl)cc1)NNC(=O)C(=O)N1CCCC1	132240937	FDZOAZWVFXMDHM-UHFFFAOYSA-N	323.780	1.042	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@H]1CCN2CCCC[C@H]12	47104878	RVXZVEMYFXZSOU-UONOGXRCSA-N	302.378	1.257	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2)C1	134209706	WCKNSJUCUQUCHY-NSHDSACASA-N	306.322	1.296	50	20	DDGD	
CC(=O)CSCC(=O)NNC(=O)c1ccc(Cl)cc1F	192674573	YDQYUNCUTJQXBS-UHFFFAOYSA-N	318.757	1.562	50	20	DDGD	
Cc1c(C(=O)NNc2nc3ccccn3n2)cccc1[N+](=O)[O-]	191881997	CNAIDVDFUIMCNW-UHFFFAOYSA-N	312.289	1.703	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cnn(-c2ccccc2)n1	191926042	FKUYGIKVIKHJQI-UHFFFAOYSA-N	320.316	1.067	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1ccc(N2CCOCC2)cc1	191772821	YDGYPYLYIAKRPR-PTNGSMBKSA-N	306.387	1.822	50	20	DDGD	
O=C(CCn1ccnn1)NNC(=O)Cc1cccc2ccccc12	192582604	YTIXAYZGDGGZDX-UHFFFAOYSA-N	323.356	1.212	50	20	DDGD	
COc1cc(C(=O)NNC(=O)COC(C)C)ccc1OC(C)C	143092024	WRGDOAYNNXOMRN-UHFFFAOYSA-N	324.377	1.668	50	20	DDGD	
CCO[C@H](CC)C(=O)NNC(=O)c1ccc(Cl)cc1OC	98097386	BGHYZKZBDWYLDO-LLVKDONJSA-N	314.769	1.925	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cc(N2CCNC2=O)ccc1F	265652653	ORPYEWDFHILENC-UHFFFAOYSA-N	322.340	1.162	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@H]1CCCc2cn[nH]c21	269031756	MZPKGCRXMUSYFB-LBPRGKRZSA-N	317.324	1.570	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)N[C@@H]1CCCSC1	267244946	AZPVRNXPZZDOIN-LLVKDONJSA-N	311.382	1.594	50	20	DDGD	
COCc1cc(CNC(=O)NNC(=O)C2CCC2)ccc1F	264721024	FZOPKQBZBUTAEI-UHFFFAOYSA-N	309.341	1.603	50	20	DDGD	
O=S(=O)(CBr)N1CCOCC2(CCCC2)C1	364355276	BNDNVUBCGCPGAK-UHFFFAOYSA-N	312.229	1.561	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cc3n(n2)CCO3)cc1Cl	365621401	HSSHIMHECXEYEA-UHFFFAOYSA-N	303.709	1.557	50	20	DDGD	
COc1ccc2c(c1)OCC[C@@H]2NC(=O)NNc1cccnn1	365677107	VOSLHCJVGWUCOM-LBPRGKRZSA-N	315.333	1.635	50	20	DDGD	
CCCc1nnc(S)n1CC(=O)NNC(=O)OC(C)(C)C	276867610	JONVRGOZAOFICD-UHFFFAOYSA-N	315.399	1.075	50	20	DDGD	
C=C(C)[C@H](CC(=O)NNC(=O)COc1cccc(C)c1)OCC	270148679	VBQWAUWZHXLRMO-HNNXBMFYSA-N	320.389	1.893	50	20	DDGD	
O=C(NCCc1nc2c(s1)CCCC2)NNC(=O)C1CCC1	270778006	BUPFNUAAXNEDFL-UHFFFAOYSA-N	322.434	1.695	50	20	DDGD	
CC1(C)OCC(C)(C(=O)NNC(=O)Cc2ccc(F)cc2)CO1	271163440	WMVSOHKOTHJJGN-UHFFFAOYSA-N	324.352	1.305	50	20	DDGD	
Cc1cc(C(=O)N2CC=C(C#N)CC2)cc(S(N)(=O)=O)c1C	270946700	NSMBJVCXBIULPT-UHFFFAOYSA-N	319.386	1.247	50	20	DDGD	
COC(=O)Cc1ccc(OS(=O)(=O)CBr)cc1	271358703	INUGZLVYIWIYEM-UHFFFAOYSA-N	323.164	1.463	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2cc(CC)n[nH]2)nc1C	272225251	UTKOEELSCHROIJ-UHFFFAOYSA-N	318.337	1.004	50	20	DDGD	
COc1nccnc1NNC(=O)C[C@@H]1CSCCS1	274053767	HNNBYLMSUFQLFD-MRVPVSSYSA-N	300.409	1.167	50	20	DDGD	
CC(C)N1C[C@@H](NC(=O)/C(C#N)=C\c2ccc(O)cc2)CC1=O	278659026	MMKZENSTSGMXEU-LVOZBFFPSA-N	313.357	1.425	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCC[C@@H](C)CO)c1	272665786	OAVRAWXMVJPTHS-LLVKDONJSA-N	309.366	1.508	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1	272756380	KQEJJCSQFKSMCS-UHFFFAOYSA-N	311.294	1.578	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2COCCN2C2CCCC2)cc1	289175382	QQNSLMSLDOVLFF-INIZCTEOSA-N	319.405	1.782	50	20	DDGD	
COc1ccccc1N(CCO)S(=O)(=O)CCCCCl	288358668	XMGNPICFJVIMPN-UHFFFAOYSA-N	321.826	1.843	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)N1CCN(C)CC1)c1cccc(Cl)c1	287996789	OLXJBIQYDCVVKZ-LLVKDONJSA-N	324.812	1.432	50	20	DDGD	
C[C@H]1CCCN(C[C@@H](C)NC(=O)NNc2cccc(F)n2)C1	287280064	YLROKQQVPDTYLJ-NWDGAFQWSA-N	309.389	1.967	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCc1ncc[nH]1)c1ccccc1	287396230	JRHUSZOONKBYKF-ZDUSSCGKSA-N	300.362	1.684	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccoc1Br	295362525	JIIQOZVJBFQHKB-MRVPVSSYSA-N	317.139	1.372	50	20	DDGD	
COc1ccc(C)cc1CCNC(=O)NNC(=O)CC(C)C	298762137	PMYVFINOWZDMBY-UHFFFAOYSA-N	307.394	1.923	50	20	DDGD	
C[C@H]1CCC[C@@H]1NCC(=O)NNC(=O)c1ccccc1Cl	800391256	RGZRZEWHNOOJGM-GWCFXTLKSA-N	309.797	1.879	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@H](C)CCCO)cc(C#N)n1C	295758821	BPIMJGOULSRSOZ-IWTIEGKHSA-N	314.389	1.637	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)[C@H]2CCCCO2)cc1	295605124	QFQGWNXUTMBXJU-DNGMOHDESA-N	304.346	1.425	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)C(=O)c1ccc(O)cc1	807080145	PIPVYTWJYWZBQD-UHFFFAOYSA-N	312.325	1.273	50	20	DDGD	
COc1ccc2c(O)c(C(=O)NNC(=O)C3CC3)cnc2c1	298683656	XQRRBYHBTJMMDX-UHFFFAOYSA-N	301.302	1.120	50	20	DDGD	
C#CCOc1ccc(CNS(=O)(=O)CBr)cc1	296094640	PVJCDUGLJMSURE-UHFFFAOYSA-N	318.192	1.470	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cc2cnn(C)c2C)c1	293568923	VLRGGKSOWXSGPA-UHFFFAOYSA-N	302.334	1.201	50	20	DDGD	
Cc1nn(C)c2ncc(C(=O)NNC(=O)Nc3ccccc3)cc12	801984649	GYBRAOWEULLBQJ-UHFFFAOYSA-N	324.344	1.743	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cc(-c2ccncc2)on1	802031290	CYERCQHEHBLPPG-UHFFFAOYSA-N	324.300	1.020	50	20	DDGD	
CC(=O)c1cc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)n(C)c1	803432313	OQYGVWAUMXEXSB-UHFFFAOYSA-N	324.340	1.826	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCCCO2)cc1F	296749599	PPFUJHIAIXNRBT-LBPRGKRZSA-N	316.354	1.013	50	20	DDGD	
COCCN1CN(C(=O)[C@@H](Br)C(C)(C)C)CC1=O	801589855	DEDLNALSEACGOX-SNVBAGLBSA-N	321.215	1.071	50	20	DDGD	
O=C(NCc1ccc(N2CCCC2)cc1)NNc1ccncn1	296315143	LGKKIYLGFRCWOH-UHFFFAOYSA-N	312.377	1.903	50	20	DDGD	
CC(=O)Nc1cc(NC(=O)NNC(=O)[C@@H]2CCCO2)ccc1F	292624206	LKPOLUIKGCCVDA-LBPRGKRZSA-N	324.312	1.116	50	20	DDGD	
CCOC(=O)CC(C)(C)CC(=O)NNC(=O)Cc1ccncc1	806994592	CSMOXMGKOTXKLG-UHFFFAOYSA-N	321.377	1.141	50	20	DDGD	
Cc1nn(C)c(Cl)c1C(=O)NN(C)C(=O)OC(C)(C)C	297776166	USHXTCKJXAEETF-UHFFFAOYSA-N	302.762	1.894	50	20	DDGD	
CSSCCNC(=O)[C@@H]1COCCN1CC(F)F	803478917	ZFTKNNOOVRSZJC-QMMMGPOBSA-N	300.396	1.080	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H](NC(C)=O)C(C)C)cc1	802061775	YRZBWDHKMZRUEI-ZDUSSCGKSA-N	322.365	1.009	50	20	DDGD	
C[C@H]1SCCC1=NNC(=O)C1CCN(c2ncccn2)CC1	814837250	NVMSWNSHWLOHOR-LLVKDONJSA-N	319.434	1.691	50	20	DDGD	
CC(=O)N1CC(C(=O)NNc2cc(Cl)nc(Cl)c2)C1	819747024	IQAHUFCIIFUHDN-UHFFFAOYSA-N	303.149	1.310	50	20	DDGD	
CC(=NNC(=O)c1cc(C)[nH]n1)c1ccc(-c2nn[nH]n2)cc1	819773980	ZGCLQVCNQKYQMN-UHFFFAOYSA-N	310.321	1.052	50	20	DDGD	
Cc1cnc(NC(=O)C(=O)NNc2cccc(Cl)n2)s1	815727336	SMRQHJLJRGUCLM-UHFFFAOYSA-N	311.754	1.582	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@H](C)n2cccn2)c1	819479655	MOOKXDNLYXKDIT-NSHDSACASA-N	302.334	1.764	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)[C@@H]1CCCSC1	810423702	FKDQFEPOTZTAFH-CYBMUJFWSA-N	308.403	1.494	50	20	DDGD	
O=C(NNc1ncncc1F)c1cc2ccccc2c(=O)o1	817068216	YSNFLWCUINQMFS-UHFFFAOYSA-N	300.249	1.479	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)NC2CCC2)cc1OC	814192402	WECWVAHLDYUKSZ-UHFFFAOYSA-N	309.391	1.365	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)Oc1ccc(F)cc1)c1csnn1	814751475	NBUXXESULUEJAE-SECBINFHSA-N	308.338	1.985	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CC(F)(F)F)nn1C(C)C	817358834	RARFHHQUHHWCMH-UHFFFAOYSA-N	307.276	1.878	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2cnc(N(C)C)nc2)cs1	814740026	GIWQVKWSIXJERV-UHFFFAOYSA-N	304.379	1.000	50	20	DDGD	
Cc1cc(C(=O)NNc2ncncc2F)n2nc(C)cc2n1	817083117	XFIBRDNFJIDPRK-UHFFFAOYSA-N	301.285	1.032	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](O)c2ccc(Cl)cc2)o1	813474795	CSEJPBXYCMLDJA-GFCCVEGCSA-N	308.721	1.736	50	20	DDGD	
Cc1nccc(CCC(=O)NNC(=O)c2ccc(C#N)cc2)n1	814675019	IJJBXZDVJCMBNY-UHFFFAOYSA-N	309.329	1.051	50	20	DDGD	
CSCC[C@H](NC(=O)c1ccccc1)C(=O)NN(C)C1CC1	819640905	GTVDVMXKMSHLJI-AWEZNQCLSA-N	321.446	1.664	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCc2ccco2)c2n[nH]cc2c1	726529166	MIGCZAFEGPMQRG-UHFFFAOYSA-N	313.317	1.609	50	20	DDGD	
CC(Cn1cccn1)=NNC(=O)c1nnc(O)c2ccccc12	814740595	XKLUXKNACGFSCX-UHFFFAOYSA-N	310.317	1.338	50	20	DDGD	
CC1(C)CN(C(=O)[C@H](Br)C(C)(C)C)C[C@@H](CO)O1	817626564	BGEIDEBUGUFLFP-UWVGGRQHSA-N	322.243	1.794	50	20	DDGD	
Cc1c(NNC(=O)NCCn2ccnc2)cccc1[N+](=O)[O-]	728125334	AUXZEZULWVPUEU-UHFFFAOYSA-N	304.310	1.426	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCc1nc(-c2cccs2)no1	823982759	DBAWNVXAWZEIKG-VIFPVBQESA-N	310.379	1.075	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNc2nc(C(F)(F)F)cs2)CCN1C	826800455	VGYCOTDDHOOGBO-RNFRBKRXSA-N	308.329	1.945	50	20	DDGD	
O=S(=O)(CCCCl)NCCc1ccc2c(c1)OCO2	726866795	LGCRXXPTFMGKJQ-UHFFFAOYSA-N	305.783	1.506	50	20	DDGD	
COC(=O)[C@H](CC(F)F)NC(=O)[C@]1(C)C[C@@H]1Br	824113404	ZNGPXTUWSZNGME-JFWOZONXSA-N	314.126	1.473	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1C[C@H](c2ccccc2)O[C@H](C)C1	827491313	KDPNLGSRZNBNIC-UKRRQHHQSA-N	319.405	1.252	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cc(F)cc(N2CCOCC2)c1	827215750	DIMVYQYFZYEGIX-UHFFFAOYSA-N	321.352	1.223	50	20	DDGD	
Cc1cn(-c2ccc(F)cc2)nc1C(=O)NN(C)[C@@H](C)CO	823923544	SLIBQCNOLIIPOI-NSHDSACASA-N	306.341	1.277	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@H]1NC(=O)O[C@@H]1C	496737343	DCHPUZASSDETRW-SVRRBLITSA-N	313.745	1.193	50	20	DDGD	
CCC(=O)NN=C1CCOC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C	495367057	MMADNGMDUAXSDA-MNOVXSKESA-N	313.398	1.818	50	20	DDGD	
CN(C)[C@@H]1CCC[C@@H](NC(=O)/C(C#N)=C/c2cnn(C)c2)C1	491176630	QSMAMBHRWINQJL-PHIGAYBXSA-N	301.394	1.316	50	20	DDGD	
CC1(C)CCc2sc(NC(=O)NNC(=O)c3cc[nH]n3)nc21	823830655	ZWLUVLZEZWUAAE-UHFFFAOYSA-N	320.378	1.557	50	20	DDGD	
COc1ccc(NNC(=O)/C=C/c2ccc(OC)c(O)c2)nc1	492665557	BYKILIUHKGAQKV-XBXARRHUSA-N	315.329	1.961	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCO1	824864515	BKAFMMLFCPNBPO-KOLCDFICSA-N	302.338	1.125	50	20	DDGD	
Cc1ccc2c(c1)CC[C@@H]2NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	825761698	QFCKZXRKNDEMKR-WHOFXGATSA-N	317.389	1.738	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2CCN(C)[C@@H]2C)cc1	825535572	BHFJAZUCVBEOCO-IUODEOHRSA-N	319.405	1.115	50	20	DDGD	
CC[C@H](NCc1cccc(B(O)O)c1)c1ccc(F)cc1F	585029766	UDQCUJJCSJEGSD-INIZCTEOSA-N	305.133	1.886	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](C)c2nc(C)cs2)n1	829487853	LCOWMDPEDYWPHQ-SECBINFHSA-N	307.379	1.805	50	20	DDGD	
Cc1ccccc1C[C@H](C)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	825742924	HJPVBILYLZBLIV-GZBFAFLISA-N	319.405	1.681	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccncc1	496158010	JQXMVVNFVIJSCC-ZDUSSCGKSA-N	316.361	1.448	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@@H]1CCCC[C@H]1[C@H]1CCCO1	584911135	GKSLBHZWYLDJNR-BZUAXINKSA-N	317.194	1.290	50	20	DDGD	
O=S(=O)(CCl)NC[C@@H](c1ccco1)N1CCCCC1	820768560	SLLDASFJRKPPFC-NSHDSACASA-N	306.815	1.922	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)Cc1ccc(O)c(Cl)c1	900001414	PELGDOVNYQLELL-UHFFFAOYSA-N	315.826	1.882	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](Cc1nc[nH]n1)c1ccccc1	491043587	AAJNLTISCQFEJC-UELRPHRMSA-N	311.345	1.649	50	20	DDGD	
CCCn1ncc(NC(=O)c2ccc(B(O)O)cc2)c1C1CC1	584994757	FAUSMYYJEXHCAH-UHFFFAOYSA-N	313.166	1.103	50	20	DDGD	
O=C(NCc1ccc(-c2cnco2)cc1)NNC(=O)C1CCC1	906620714	FAAOSUKIRBEJOH-UHFFFAOYSA-N	314.345	1.972	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC(C)(C)c1cc(C(=O)OC)on1	490977536	UEPGDVWMUYDZDT-HJWRWDBZSA-N	307.306	1.256	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCCCN1C	731865279	NGYUYDJJSSUMLR-FZMZJTMJSA-N	323.368	1.225	50	20	DDGD	
CC[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)C[C@@H](CC)O1	827259912	MPQREFJLSQTZLH-FDYHWXHSSA-N	313.398	1.042	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)CNC(=O)OC(C)(C)C)CN1C1CC1	494538762	KAPJIRFZVWUQIU-SNVBAGLBSA-N	310.398	1.240	50	20	DDGD	
CCO[C@@H]1COCC[C@@H]1NC(=O)/C(C#N)=C\c1ccc(O)cc1	491044020	AZVDOIVOKXKRKN-KTDOTMJKSA-N	316.357	1.609	50	20	DDGD	
C[C@H](NC(=O)c1cccc(B(O)O)c1)c1cccc(C2CC2)c1	584994052	CQBHMAPOHKYENB-LBPRGKRZSA-N	309.174	1.735	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](NC(=O)NNC(=O)OC(C)(C)C)CCO1	494484736	IHKOOPOBONUPSE-QWRGUYRKSA-N	301.387	1.929	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC(=NNC(=O)c2ncccn2)CC1	497236187	LKGGWBLXOCBKSA-UHFFFAOYSA-N	319.365	1.593	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCc1ccc2nonc2c1	908038269	LCJBRKHPXLGMOM-UHFFFAOYSA-N	317.798	1.907	50	20	DDGD	
Cc1nnc2ccc(C(=O)NN(C)C(=O)OC(C)(C)C)cn12	496403080	NANCNKCWFFWAOE-UHFFFAOYSA-N	305.338	1.549	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)c2ccc(B(O)O)cc2)C1(CC)CC	584959349	AVFQDLKIGQFJMA-HUUCEWRRSA-N	319.210	1.080	50	20	DDGD	
Cc1ncc(/C=C\C(=O)NNC(=O)c2cccc(C#N)c2)s1	491843812	JXGISCHOPIERKC-WAYWQWQTSA-N	312.354	1.798	50	20	DDGD	
COC(=O)Nc1ccc(NC(=O)NN=c2cc[nH]cc2)cc1F	495555990	MMMPQSKCCWXZOF-UHFFFAOYSA-N	319.296	1.970	50	20	DDGD	
Cc1ccc2nc(/C=C(/C#N)C(=O)Nc3ccn(C)n3)cn2c1	490940161	IAFRWGDACGMIMT-GHXNOFRVSA-N	306.329	1.922	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1CCC(C)(C#N)CC1	834932668	JNJRZLBITBHNKT-KNVGNIICSA-N	306.410	1.531	50	20	DDGD	
CC(C)C1CCC(N(C)C(=O)c2cc(B(O)O)ccc2F)CC1	584982626	LTVMMMDDIZJYEI-UHFFFAOYSA-N	321.201	1.792	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1ccc(C(=O)NC2CC2)cc1	735411733	RRKCJKDOOBMXIC-UHFFFAOYSA-N	311.345	1.374	50	20	DDGD	
COc1ccc(F)c(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	831546250	PVSONCSFKGTFEC-WPRPVWTQSA-N	311.313	1.412	50	20	DDGD	
Cc1cc(Cl)c(NC(=O)C(=O)NNC(=O)C(C)C)cc1C	835222183	BOSOMRZCNWMVIZ-UHFFFAOYSA-N	311.769	1.699	50	20	DDGD	
CC(C)CCO[C@@H](C)C(=O)NNC(=O)COc1ccccc1O	730779613	ANYMRKUWGCSCBU-LBPRGKRZSA-N	324.377	1.370	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccnn1CC1CCC1	901260496	YVGFCYOQJJGBMV-TZMCWYRMSA-N	304.394	1.948	50	20	DDGD	
C[C@H](C#N)C(=O)NNC(=O)c1ccc(F)cc1Br	736674707	ZGHBBIRWHVHAKA-ZCFIWIBFSA-N	314.114	1.509	50	20	DDGD	
C[C@H](CCCC(F)(F)F)NCc1ccc(B(O)O)cc1F	585038220	WTUIJYZXUMQEAZ-SECBINFHSA-N	307.096	1.716	50	20	DDGD	
OB(O)c1ccc(-c2noc([C@@H]3CCCC(F)(F)C3)n2)cc1	585055384	YJHYAAUDQWZSRC-SNVBAGLBSA-N	308.093	1.709	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc(F)cc([N+](=O)[O-])c2)n1	731454572	DFVHAKJBSPJDHQ-UHFFFAOYSA-N	305.269	1.898	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H](C)c2ccn(C)n2)c1	838773241	LVEYSFUKPWCJMJ-JTQLQIEISA-N	317.349	1.594	50	20	DDGD	
O=C1CC[C@@H](CC(=O)NNc2nc(-c3ccccc3)no2)CN1	836667288	LPEODYSTNWBUJO-JTQLQIEISA-N	315.333	1.096	50	20	DDGD	
Cn1c(Cl)nc(Cl)c1C=NNC(=O)[C@H]1CCCCO1	834984332	CAZJQRNGGAQYBT-MRVPVSSYSA-N	305.165	1.746	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(F)nc2)c1	733909859	APOSUDCTVNHECA-UHFFFAOYSA-N	319.292	1.313	50	20	DDGD	
CC[C@@H](Cc1cccc(C)c1)C(=O)NNC(=O)c1ncon1	832830497	OVMFSESVMHDGPS-LBPRGKRZSA-N	302.334	1.408	50	20	DDGD	
CCOCC(=O)NNC(=O)NC1CCC(CSC)CC1	838650185	CLGSPSMBCOSWSV-UHFFFAOYSA-N	303.428	1.275	50	20	DDGD	
O=C1C[C@H](C(=O)NN=c2cc[nH]cc2Cl)[C@@H]2CCCC[C@H]2N1	832243646	UWXPSKZICXCLSC-JBLDHEPKSA-N	322.796	1.295	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)[C@H]2CCCCO2)CC1(Cl)Cl	836587887	CQLRFYJLHQIOIP-LDYMZIIASA-N	324.208	1.470	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CS[C@H](C)CC(=O)O)c1	832963084	JWULXIOMJISQMN-SNVBAGLBSA-N	310.375	1.352	50	20	DDGD	
C[C@@H](NCc1cccc(B(O)O)c1)[C@H]1OCCc2sccc21	585044104	ZTEVBOSQLIZDFL-BDJLRTHQSA-N	317.219	1.220	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)C[C@H]1C[C@H]2CC[C@H]1C2	730781542	QXVXHVLBLMZYMP-RWMBFGLXSA-N	318.373	1.745	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNc1oc(C(C)C)nc1C#N	839603228	AVLQMVKAWVJLIQ-SECBINFHSA-N	308.338	1.702	50	20	DDGD	
Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NNC(N)=O	916247934	WRIAGUMEVOWASV-UHFFFAOYSA-N	312.377	1.783	50	20	DDGD	
CC(C)Cc1ccc(CCC(=O)NNC(=O)c2ncon2)cc1	832826335	XAWMWMMLSXHRMW-UHFFFAOYSA-N	316.361	1.662	50	20	DDGD	
Cc1noc(C)c1[C@H](C)C(=O)NNc1ccnc(N(C)C)n1	740102137	CMAVXHIJMHSASK-QMMMGPOBSA-N	304.354	1.394	50	20	DDGD	
Cn1cccc1CNC(=O)NNC(=O)CCc1ccccc1	743710579	SFRFMQASOHFRQE-UHFFFAOYSA-N	300.362	1.488	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc2c(c1)OCCO2	916355589	VJNYJSXHZMDVFB-UHFFFAOYSA-N	305.378	1.640	50	20	DDGD	
C=CCOCCCC(=O)NNc1cc(O)nc2ncccc12	913993308	VLTYDCIDGUEREI-UHFFFAOYSA-N	302.334	1.761	50	20	DDGD	
CC(C)[C@H](N)CNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	841942857	CAFSHQPHMANUDM-DLUQRMLASA-N	322.453	1.517	50	20	DDGD	
CC(=NNC(=O)Cc1cn2ccccc2n1)c1csc(N)n1	747638618	QCTPPWYEFDWJSE-UHFFFAOYSA-N	314.374	1.456	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)NOCC(F)F	848659777	SBBDKCQABOTPTR-UHFFFAOYSA-N	312.074	1.062	50	20	DDGD	
COc1cccc(NCC(=O)NN=C2CCN(C)[C@H](C)C2)c1	741454925	ICRHPQUOWUBZMA-GFCCVEGCSA-N	304.394	1.693	50	20	DDGD	
COC1(CC(=O)NNc2cc(O)nc3ncccc23)CCC1	913990544	OVNIHYHGFYBMKG-UHFFFAOYSA-N	302.334	1.738	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N2CCCC(F)(F)C2)cc1	846710435	LVYGIQMOWLFWHL-UHFFFAOYSA-N	308.288	1.644	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cccc1[N+](=O)[O-]	843642224	WFIJYYRCCKGCTC-MWLCHTKSSA-N	307.306	1.089	50	20	DDGD	
CCN(C)C(=O)COC(=O)/C(C#N)=C\c1cccc(OC)c1	746555126	SGGLDMJRYNPERO-JYRVWZFOSA-N	302.330	1.624	50	20	DDGD	
CN(CCN1CCNCC1)C(=O)[C@@H](Br)C(C)(C)C	843338928	VYHMKBQYMHQKNY-LLVKDONJSA-N	320.275	1.160	50	20	DDGD	
Cc1nnc(NNC(=O)c2cc(-c3cccs3)[nH]n2)nc1O	916160222	SBQWUSHHEJBGHJ-UHFFFAOYSA-N	317.334	1.094	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)Cc2ccc(Cl)cc2)c2ncnn21	841612592	MHWUFGVSUWTMIX-SECBINFHSA-N	303.753	1.959	50	20	DDGD	
CC(=NNC(=O)NC1CCCC1)c1cccc(-n2cnnn2)c1	743532297	UTKPUOZVRHTPPN-UHFFFAOYSA-N	313.365	1.628	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)c2nnc(O)c3ccccc23)o1	743426306	FIDQNVAUPPWGCF-UHFFFAOYSA-N	307.269	1.564	50	20	DDGD	
N[C@H](CNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)C1CC1	846673598	CSYDDCJKYQFMSY-UIMWLRQOSA-N	301.228	1.794	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NCCCNC2CC2)cc1	841918468	JYUKGRNWCOSZRN-UHFFFAOYSA-N	321.381	1.173	50	20	DDGD	
CO[C@@H](CS(=O)(=O)NCCCSC#N)C1CCCC1	917007359	MDEXPXNQPHWXRP-LBPRGKRZSA-N	306.453	1.715	50	20	DDGD	
Cn1ncc2c1CCCN(S(=O)(=O)CCCCCl)C2	841554277	IQBFUPTXCRAJSK-UHFFFAOYSA-N	305.831	1.517	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCc1c(Cl)cccc1Cl	847856602	QRGYEDMDYPLQGV-UHFFFAOYSA-N	319.188	1.844	50	20	DDGD	
CO[C@@H](CS(=O)(=O)NNC(=O)C(C)C)C1CCCCC1	849305062	WZERDHNHSPNKLJ-LBPRGKRZSA-N	306.428	1.188	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)CC1(O)CCCCC1	746234077	FSVHBTWDXNERKC-UHFFFAOYSA-N	322.361	1.004	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNC(=S)Nc1cccc(C)c1C	920437168	RGKLPOZMJAYZKP-LLVKDONJSA-N	322.434	1.536	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)[C@H]1Cc2ccccc21	746553474	LVNCNHUOSSXGHS-HNNXBMFYSA-N	320.352	1.364	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)c1cnc(NC2CC2)s1	748013766	OTKJZMASSYBRSP-UHFFFAOYSA-N	320.349	1.931	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cc2occc2s1	747322641	GXNMFROHDNCAEA-UHFFFAOYSA-N	301.327	1.893	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)[C@]1(O)CCOC1	840404462	ROPMOIHLMRTXTJ-NSHDSACASA-N	308.231	1.439	50	20	DDGD	
CCc1cnc(NC(=O)C(=O)NN(C)c2ccccc2)s1	756176235	KAWDVPYZSQFUFI-UHFFFAOYSA-N	304.375	1.812	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CCN(C)[C@@H]2C)c1C	855624035	YVPDYOBZGHXNFL-DGCLKSJQSA-N	305.378	1.565	50	20	DDGD	
C[C@]1(CNC(=O)c2nnc3ccccc3n2)C[C@H]1Br	857390270	CSRCXTLBISQIGQ-ZWNOBZJWSA-N	321.178	1.928	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cccc3ncccc23)n1	752624244	UCUCNAAIELGXQL-UHFFFAOYSA-N	322.324	1.713	50	20	DDGD	
CC(=O)N[C@](C)(C(=O)NNC(=O)c1ccccc1F)C(C)C	929231329	FELNFTICBNWLJK-HNNXBMFYSA-N	309.341	1.138	50	20	DDGD	
CN1CCC[C@@H](NC(=O)NNc2c(F)cc(F)cc2F)C1=O	921313219	OFIHKXAFDCJEBI-SNVBAGLBSA-N	316.283	1.351	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ncoc1-c1ccon1	857495716	AJNQCPMVVNMBTA-UHFFFAOYSA-N	314.305	2.000	50	20	DDGD	
C[C@]1(CN[C@H]2C(=O)NCC23CCOCC3)C[C@@H]1Br	926737176	NIPBVQNLYRROMZ-JBLDHEPKSA-N	317.227	1.045	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H]2CCc3n[nH]cc3C2)c1	858301745	GQSCUNITKOCKLP-JTQLQIEISA-N	319.390	1.281	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NN=C1C(=O)Nc2c(F)cccc21	753956776	WLGSDSWJVAHHIG-UHFFFAOYSA-N	315.279	1.980	50	20	DDGD	
COC[C@H](NC(=O)NNc1ncc(Cl)cn1)c1ccco1	856874821	VCHZLVUXROVXBO-VIFPVBQESA-N	311.729	1.737	50	20	DDGD	
CO[C@@H](C)c1nc(CNC(=O)NNC(=O)C(C)C)cs1	752391997	XNRWAEOKKRSVCF-QMMMGPOBSA-N	300.384	1.337	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)on1	753616518	LXQQFWGVYRPIKF-QMMMGPOBSA-N	323.280	1.051	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H]1C[C@H]1CC(C)(C)C	854286501	RFAFBOQIHKNWEQ-NWDGAFQWSA-N	315.483	1.933	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cccc(Cl)c1OCCOC	756245510	QVZLMIBEEAGHSH-UHFFFAOYSA-N	315.757	1.928	50	20	DDGD	
CCC(C#N)(CC)C(=O)NNC(=O)c1c(C)nc2ccccn12	858171643	TVXDZRGGJOLQEH-UHFFFAOYSA-N	313.361	1.734	50	20	DDGD	
COc1ccc(Br)c(C(=O)NNC(=O)C(F)F)c1	753673036	JYGZXTPJRGQROF-UHFFFAOYSA-N	323.093	1.484	50	20	DDGD	
C[C@@H](C#N)CSc1ccccc1NC(=O)NNC(=O)CO	756478149	FQNQUOUQGRLOFK-VIFPVBQESA-N	308.363	1.083	50	20	DDGD	
COc1cc(C(C)=NNC(=O)c2cc[nH]n2)cc(OC)c1OC	853392637	PKBVKPIJMPBJFP-UHFFFAOYSA-N	318.333	1.590	50	20	DDGD	
Cc1nnnn1-c1ccc(C(=O)NCCCSC#N)cc1	854363979	VQPAFTYYUNNWBL-UHFFFAOYSA-N	302.363	1.305	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1cccnc1N1CCCC1	855340577	OJUQSULTJCPONM-OWBHPGMISA-N	300.362	1.742	50	20	DDGD	
CCc1nc(CNC(=O)NNc2ccc([N+](=O)[O-])cc2F)n[nH]1	854094955	LNGZYYMCAXSGPU-UHFFFAOYSA-N	323.288	1.241	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)c1ccc(N(C)C)cc1	858368745	NSMDTOUVNJMFFV-SNVBAGLBSA-N	316.365	1.181	50	20	DDGD	
O=C(CC[C@H]1CCOC1)NNC(=O)NCCc1cccs1	751360342	FDVMGJPIUOWNDN-NSHDSACASA-N	311.407	1.438	50	20	DDGD	
CCCC(=O)N1CCCC[C@H]1C(=O)NN[C@@H](C)C(F)(F)F	862312531	OKIUGFFGPCOMCA-UWVGGRQHSA-N	309.332	1.739	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21	931500895	QDOGIUZVFRMWML-NJZULAAPSA-N	311.345	1.867	50	20	DDGD	
O=C(NCc1cccnn1)NNc1ncnc2ccsc12	767883881	YFVFAFUFSBGMCT-UHFFFAOYSA-N	301.335	1.308	50	20	DDGD	
CNC(=O)[C@H]1CCC[C@H]1NC(=O)NNc1ccccc1Cl	766278619	ZFYUTPKMKIWXIW-GXSJLCMTSA-N	310.785	1.881	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1cccc([N+](=O)[O-])c1	767396120	MXRMSCVOXPPGRE-UHFFFAOYSA-N	301.306	1.709	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)c2ccccc2OC)n1	760945519	YQSNYGMWYYKRPC-UHFFFAOYSA-N	301.302	1.425	50	20	DDGD	
COCc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1F	869067943	KKHFXBHTWWUKKJ-JOYOIKCWSA-N	310.325	1.158	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H](O)C(C)(C)C)c1	764589273	XJPFUOQRRVYRNR-CQSZACIVSA-N	308.378	1.237	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@H](C1CC1)C(C)(C)CO	867284236	WECQEXLPJDNIMN-LLVKDONJSA-N	311.875	1.968	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Cc1cc(Cl)cc(Cl)c1	863865123	KHUFOIBWIHSWGN-UHFFFAOYSA-N	304.177	1.245	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)c1ccc2nnc(O)n2c1	764262359	SZOMSFHIRDDLIU-UHFFFAOYSA-N	321.300	1.135	50	20	DDGD	
CCCc1ccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1	860307853	SXPKCRZPJDPLCO-GFCCVEGCSA-N	304.350	1.070	50	20	DDGD	
CC(=O)Nc1ccccc1CC(=O)NNc1nc(C)cc(C)n1	767485189	HHXLCDOWMPJFDA-UHFFFAOYSA-N	313.361	1.738	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)[C@H](CC)c2ccccc2)nn1	766451563	GRFSGQZIFAGFPR-CYBMUJFWSA-N	315.377	1.643	50	20	DDGD	
O=C(CCC(=O)NC1CCCC1)NNc1nc2ccccc2[nH]1	768505673	SXAOKUWDCYDPIA-UHFFFAOYSA-N	315.377	1.845	50	20	DDGD	
CNc1c(C(=O)NNC(=O)c2cccn2C)cccc1[N+](=O)[O-]	765361986	IBDVUHAYSSFSJT-UHFFFAOYSA-N	317.305	1.050	50	20	DDGD	
CCC1(C(=O)NNC(=O)CSc2ccccc2O)COC1	764048216	WOSYUCXWZSYECR-UHFFFAOYSA-N	310.375	1.058	50	20	DDGD	
O=C(NNc1cccnn1)C(=O)Nc1nc(C2CCC2)cs1	1116858330	SCZRNQPHGJYWQO-UHFFFAOYSA-N	318.362	1.282	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@H](O)c1cccnc1	768290712	YHHBKPCZGPJKKJ-SNVBAGLBSA-N	301.331	1.263	50	20	DDGD	
CC(C)(C(N)=O)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	767414275	FHTGSJCRXXYJRW-UHFFFAOYSA-N	321.421	1.252	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cc(F)cc(Cl)c1O	768966977	CMYHPIDZOVBVOQ-UHFFFAOYSA-N	314.622	1.898	50	20	DDGD	
C#CCO[C@@H](C)C(=O)NNC(=S)Nc1ccc(C)cc1C	873760986	MHQRCOXUCMHPKT-LBPRGKRZSA-N	305.403	1.659	50	20	DDGD	
C[C@@H]1CCN(S(=O)(=O)NNC(=O)c2cc3ccccc3o2)C1	777936742	YALAASKBMVLVNM-SNVBAGLBSA-N	323.374	1.254	50	20	DDGD	
C=CCCOCC(=O)NNc1ccnc(Br)c1	771534639	IDTOJUNPCNZCBJ-UHFFFAOYSA-N	300.156	1.880	50	20	DDGD	
CCOc1nc(C(=O)NNc2ccccc2C(=O)OC)co1	773609523	CVLIASSFMMNOTL-UHFFFAOYSA-N	305.290	1.617	50	20	DDGD	
COc1ccc(CCNC(=O)NNC(=O)CC(C)(C)C)cc1O	876393021	HIXDNEPUDQIWHO-UHFFFAOYSA-N	323.393	1.710	50	20	DDGD	
CN1CCc2ccc(NC(=O)NNC(=O)C(C)(C)C)cc2C1=O	770070437	MVSVUPLFHONTQD-UHFFFAOYSA-N	318.377	1.514	50	20	DDGD	
CC(C)[C@](C)(O)C(=O)NNC(=O)Cc1cccc2ccccc12	771114851	IYYYUWMYUZSRQO-SFHVURJKSA-N	314.385	1.937	50	20	DDGD	
CCCc1ccc(N)c(C(=O)O[C@H](C)C(=O)NNC(=O)CC)c1	772014297	WFAIUZAVPAQMMO-SNVBAGLBSA-N	321.377	1.324	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc2c(nc1O)CCC(C)(C)C2	1116338541	XSJWSPNYRABUBJ-UHFFFAOYSA-N	320.393	1.656	50	20	DDGD	
Cc1nc2ccc(S(=O)(=O)NNC(=O)NCC3CC3)cc2o1	1116730907	IUCRBTFQUBTIEO-UHFFFAOYSA-N	324.362	1.039	50	20	DDGD	
COC1CC(C(=O)NNC(=O)c2cncn2-c2ccccc2)C1	1118804415	JWDJBRAAGKWKIV-UHFFFAOYSA-N	314.345	1.058	50	20	DDGD	
NC(=O)CCCC(=O)NNC(=S)Nc1cccc(Cl)c1	873784969	LBVCLNXYRJZNLA-UHFFFAOYSA-N	314.798	1.313	50	20	DDGD	
CC(CCO)=NNC(=O)COc1ccccc1Br	872414840	QSUSBTHQIWWRAZ-UHFFFAOYSA-N	315.167	1.702	50	20	DDGD	
COCc1nc(C(=O)NNc2nc(C(F)(F)F)cs2)no1	775395625	AIFJOSAANVWHPC-UHFFFAOYSA-N	323.256	1.448	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874953230	YLZKOLHWKYNWNG-HNNXBMFYSA-N	324.450	1.621	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc(SC)c(OC)c1	779823555	RCSWLMRMIGLMIY-UHFFFAOYSA-N	311.363	1.223	50	20	DDGD	
CC1(C)CCC[C@H]1C(=O)OCC(=O)NNC(=O)c1cccs1	772602595	OMMXIRBZZRONLG-JTQLQIEISA-N	324.402	1.879	50	20	DDGD	
CC(C)CCn1nccc1NC(=O)NNC(=O)c1ccncc1	779471955	UYPNHLRICQEZNU-UHFFFAOYSA-N	316.365	1.791	50	20	DDGD	
CCOc1ncccc1NC(=O)NNc1cc(Cl)nc(N)n1	776296170	DJOWSYDVWBJLCO-UHFFFAOYSA-N	323.744	1.655	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1cccc(C(F)(F)F)n1	875632411	WHXVOOZVSAQBGF-UHFFFAOYSA-N	306.244	1.513	50	20	DDGD	
COc1ccc(OCc2ccccn2)c(C=NNC(=O)CO)c1	776782452	AHRLLDGQANZHJG-UHFFFAOYSA-N	315.329	1.112	50	20	DDGD	
CC(C)CSCCNC(=O)NNC(=O)C1CCOCC1	883537540	VQHQWKMAIYEBOG-UHFFFAOYSA-N	303.428	1.133	50	20	DDGD	
CC[C@@H]1CO[C@@H](C)CN1CC(=O)NNC(=O)c1cccc(C)c1	777554717	GOXHPFIXOSZMRC-DZGCQCFKSA-N	319.405	1.255	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccnc(OCC(F)F)c1	887145631	LPRRVRMQNIRCKF-UHFFFAOYSA-N	311.288	1.290	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNC(=O)c1cccc2ccccc12	779787382	KJMXYQYFIIRANO-UHFFFAOYSA-N	314.341	1.943	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)[C@@H]1C[C@H]1c1cccc(F)c1	882677806	CHINUHPHKCLQPZ-TVYUQYBPSA-N	314.382	1.678	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)[C@H]1CC(=O)N(C2CC2)C1	777463783	RMJDOZYDCBZWEL-LBPRGKRZSA-N	310.357	1.689	50	20	DDGD	
O=C(NN=Cc1ccc(OCCN2CCCC2)cc1)C(F)F	782236994	GSLPMYBRDGSZPM-UHFFFAOYSA-N	311.332	1.876	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCc1cc(OC)cc(OC)c1	1123790516	TZIDAPNZVHAJLJ-UHFFFAOYSA-N	311.338	1.159	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)c1ccnc(O)c1	787432492	SDVGVYVPBNIVDL-UHFFFAOYSA-N	320.736	1.585	50	20	DDGD	
O=S(=O)(CCCCl)N1CCN2CCOc3cccc1c32	882040186	XEIYZSMRBVDJJE-UHFFFAOYSA-N	316.810	1.664	50	20	DDGD	
CSC1(C(=O)OCC(=O)NNC(=O)c2cccc(C)c2)CC1	789199348	MFTPCUDFTTZTIJ-UHFFFAOYSA-N	322.386	1.195	50	20	DDGD	
Cc1cc(F)ccc1C(=O)NNc1ccccc1S(N)(=O)=O	788230778	WZUHNIWIADFIRN-UHFFFAOYSA-N	323.349	1.538	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2cnn(CC3CC3)c2)c1	783934101	LKBIWTLUNYDXBT-UHFFFAOYSA-N	314.349	1.078	50	20	DDGD	
O=C(NC[C@@H](O)CN1CCCC1=O)c1cccc(CCl)c1	1120620633	BKMUJMQBKQCUAE-CYBMUJFWSA-N	310.781	1.139	50	20	DDGD	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)OC)cc1[N+](=O)[O-]	788688872	MMIMUAPVRWFHIB-YHYXMXQVSA-N	320.257	1.227	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2cc(F)c(F)cc2F)C(=O)O1	896342132	BOSODSSZPITGGC-XUOSJQGZSA-N	303.240	1.434	50	20	DDGD	
Cn1cc(N2CCC[C@@H](OC(=O)/C(C#N)=C/C3CC3)C2=O)cn1	786678656	SSNLOQNHTCXVEZ-WEKMIXOTSA-N	314.345	1.319	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@H]1CCOC2(CCC2)C1	895508180	BIEJNNUQRNNTPA-ZDUSSCGKSA-N	320.364	1.865	50	20	DDGD	
CN1CCCC[C@H](CNC(=O)NNc2ccc(C#N)cn2)C1	897561258	ANTILHFBDVXWNK-CYBMUJFWSA-N	302.382	1.311	50	20	DDGD	
CC[C@@H](C)n1nc(C(=O)NNc2nc3ccccn3n2)cc1C	791253396	VFZFNTDJZJSPSR-SNVBAGLBSA-N	313.365	1.962	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)COC(F)F)o1	795557181	HHTFJDPUQYHNQY-UHFFFAOYSA-N	319.308	1.122	50	20	DDGD	
Cc1ccc2[nH]c(C(=O)NNC(=O)NCC(F)(F)F)cc2c1	798314572	RFLAKKNOWXJOAM-UHFFFAOYSA-N	314.267	1.983	50	20	DDGD	
C[C@H](O)C[C@@H]1CCCCCN1CC(=O)NNC(=O)C(C)(C)C	796384975	PJWHXAMJBVCBHT-STQMWFEESA-N	313.442	1.195	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2cccc(O)c2O)c1	790919538	POPJOIWYSYNXIX-UHFFFAOYSA-N	322.342	1.258	50	20	DDGD	
C[C@@H]1CCC[C@H]1CNC(=O)NNC(=O)c1ccc(C#N)cc1	798513997	ZRBWMGZTQACYIS-RISCZKNCSA-N	300.362	1.938	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Cc1cccc(C(F)F)c1	790556697	ISDWSKDFVYWTAR-UHFFFAOYSA-N	319.311	1.952	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2cc(Cl)cc(Cl)c2)CCN1	791727262	ULAIZKNFHVIFHY-SSDOTTSWSA-N	302.161	1.963	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2cn(C)nc2C(C)(C)C)CC1	790173439	GDCQKEGPWAHBHH-UHFFFAOYSA-N	306.414	1.009	50	20	DDGD	
COc1cccc(C2=NO[C@@H](C(=O)N3CC=C(C#N)CC3)C2)c1	792291969	WLUTWDWDTZUHBY-MRXNPFEDSA-N	311.341	1.870	50	20	DDGD	
CC(C)C(=O)NNC(=O)NC[C@H]1CCCN1C1CCCCC1	798105180	UJPIRTYETPUOMH-CQSZACIVSA-N	310.442	1.770	50	20	DDGD	
Cc1ccc(NNC(=O)c2cn(C)c(=O)nc2O)cc1Cl	1317899633	BCDRCZPYJOPWLJ-UHFFFAOYSA-N	308.725	1.205	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccc(-n2cccn2)c(F)c1	1318271142	SGCHKXXSHJWMTR-UHFFFAOYSA-N	316.336	1.963	50	20	DDGD	
O=C(NCCc1cccs1)C1CCN(C(=O)CCl)CC1	1319683125	XAWZKDTYZNRWJF-UHFFFAOYSA-N	314.838	1.884	50	20	DDGD	
CSc1ccc(Cl)cc1NC(=O)NNC(=O)CCO	1320566622	GVFPZKBUZNVUMI-UHFFFAOYSA-N	303.771	1.597	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ccc([N+](=O)[O-])cc2)c1Cl	1322654996	HZKKVQFXISKNEA-UHFFFAOYSA-N	308.685	1.377	50	20	DDGD	
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccnc(C)n1	1321906098	MQBMYWBCSWBPFH-UHFFFAOYSA-N	315.289	1.553	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCC(=O)N1CCCC1	1320209696	JBACHRWMUMWXHU-JTQLQIEISA-N	305.216	1.535	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCC1(O)CCOCC1	1338343362	PLFAGONHBJAOQN-UHFFFAOYSA-N	315.801	1.010	50	20	DDGD	
Cc1nc(C)c(CCC(=O)NN[C@H](C)C(F)(F)F)c(O)n1	1331818855	OAMJROJQOWNGFX-SSDOTTSWSA-N	306.288	1.303	50	20	DDGD	
CCn1ccnc1C(C)=NNC(=O)CCN1CCC(C)CC1	1330722532	ZJWOVVWOVNLJOR-UHFFFAOYSA-N	305.426	1.865	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1c(C)cc(F)cc1C	1261703322	ZBEVFZGUWINOKZ-UHFFFAOYSA-N	323.368	1.508	50	20	DDGD	
CCOCCOCCNC(=O)NNc1ccc(Cl)cn1	1263182066	FHFSPCUTZUIETC-UHFFFAOYSA-N	302.762	1.414	50	20	DDGD	
CN1CC[C@H]1CNC(=O)NNc1cc(C(F)(F)F)ccn1	1342337866	OKZPHPOETMVDIS-VIFPVBQESA-N	303.288	1.431	50	20	DDGD	
O=C(NNC(=O)[C@H]1CSCCS1)c1ccccc1Cl	1340017857	AYHONRROLMCRMK-SNVBAGLBSA-N	316.835	1.950	50	20	DDGD	
Cn1nc(CNC(=O)NNc2cccc(F)n2)cc1C1CC1	1341609799	NLOILXUIPYXHSG-UHFFFAOYSA-N	304.329	1.658	50	20	DDGD	
C[C@@H]1[C@@H](C(=O)NNc2ccccc2S(C)(=O)=O)C1(F)F	1348127958	LQTFEHCKIIBJME-XCBNKYQSSA-N	304.318	1.434	50	20	DDGD	
COC(=O)[C@H]1CC(F)(F)CN1C[C@H](C)CBr	1351284704	SEUXOIXGMNFKCX-HTQZYQBOSA-N	300.143	1.900	50	20	DDGD	
C[C@@H](Oc1cccnc1)C(=O)NNc1cccc(F)c1C(=O)O	1604448567	BFYCCIRJHDURAN-SECBINFHSA-N	319.292	1.830	50	20	DDGD	
CO[C@@H]1CC[C@H](NC(=O)NNc2cccc(-c3nn[nH]n3)c2)C1	1605028138	BYUFMEVZGIDWKU-CMPLNLGQSA-N	317.353	1.060	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc(CC(=O)O)cc2)c(C(F)F)n1	1600931736	DAZPFWYJIRQLTQ-UHFFFAOYSA-N	324.287	1.742	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CC(C)(C)CC(=O)O)cc1F	1600341402	DOONYMVXWDGCHT-UHFFFAOYSA-N	310.325	1.786	50	20	DDGD	
Cc1nc(C(C)C)oc1C(=O)NNc1ccc(C(=O)O)cn1	1607946847	KOQLPUYWNJWLJO-UHFFFAOYSA-N	304.306	1.957	50	20	DDGD	
Cn1c(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1C(=O)O	1610597961	SXNNZJNPSXUOQW-UKTHLTGXSA-N	309.325	1.947	50	20	DDGD	
Cc1c(CCC(=O)NNc2ccc(C(=O)O)c(F)c2)cnn1C	1610414495	CXKYUZJPRSULHL-UHFFFAOYSA-N	320.324	1.642	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@@H]2C=NNC(=O)[C@H]2CC[C@@H](C)O2)cn1	1552672051	CJWVDSFLFBOUSY-QHSBEEBCSA-N	320.393	1.650	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C=NNC(=O)c1ccc[nH]1	1552451594	FKYAGRRWRRSQCA-DGCLKSJQSA-N	301.350	1.632	50	20	DDGD	
CN(N)C(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F	1573877366	NYPLSAXEMZXTFQ-NSHDSACASA-N	319.308	1.768	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@H]1CCCCO1)[C@H](N)c1ccccc1	1575092136	FUQCTYXOMCNTLH-UONOGXRCSA-N	319.405	1.429	50	20	DDGD	
CC#CC[C@H](N)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	1574973607	XBYNMOYWKRCZAB-PWSUYJOCSA-N	319.430	1.375	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(C(=O)O)cn1)N1CCCCCC1	1589424613	XWLXGJXOIZBDST-LLVKDONJSA-N	306.366	1.487	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)c1cc(C(=O)O)nn1C	1594059250	BAPNLUIGCLKBNF-UHFFFAOYSA-N	308.269	1.023	50	20	DDGD	
O=C(Cc1ccc(O)c(F)c1)NNc1ncccc1C(=O)O	1594707345	IHBDQIQZMVWACN-UHFFFAOYSA-N	305.265	1.310	50	20	DDGD	
COC(=O)c1ccccc1C(=O)NNc1ncccc1C(=O)O	1593888887	VHIMUOPISSRBNF-UHFFFAOYSA-N	315.285	1.323	50	20	DDGD	
COc1cc(C)cc(C(=O)NNc2ccc(C(=O)O)cn2)c1O	1599391599	DTXILTKPJYLAKX-UHFFFAOYSA-N	317.301	1.559	50	20	DDGD	
O=C(NNC(=O)[C@H](C(=O)O)C1CC1)c1cccc2cccnc12	1594778862	CAXQGIQYLWISBS-GFCCVEGCSA-N	313.313	1.107	50	20	DDGD	
CCCNC(=O)CCC(=O)NNc1ccc(C(=O)O)cc1OC	1595920009	HHBLQCSQIKIDJJ-UHFFFAOYSA-N	323.349	1.143	50	20	DDGD	
COC(=O)[C@@H]1C[C@H](C(=O)O)CCN1C[C@H](C)CBr	1598750222	JXOAXHQTKOGPTA-BBBLOLIVSA-N	322.199	1.356	50	20	DDGD	
COc1cc(C)cnc1C(=O)NNc1ccc(C(=O)O)cc1F	1599395252	UHDNCHMTJUZPNM-UHFFFAOYSA-N	319.292	1.993	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNc1ccc(C(=O)O)c(F)c1	1597308238	ZFJCTAWKXXVCKX-NEPJUHHUSA-N	311.313	1.718	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)C(F)F	1593161397	RPRLHBQCJOXSTN-UHFFFAOYSA-N	322.197	1.594	50	20	DDGD	
Cc1ccc(C#N)cc1C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1592113648	VYUPTHHTNHUHIM-UHFFFAOYSA-N	320.316	1.199	50	20	DDGD	
O=C(O)c1cnc(C(=O)NNc2ccc(OC(F)F)cc2)cn1	1595266334	IJZKOWBGESDRAR-UHFFFAOYSA-N	324.243	1.533	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1Cc2cccc(-c3nn[nH]n3)c2C1	1590796825	DPBRMDGQFMJNHZ-LUAWRHEFSA-N	310.317	1.153	50	20	DDGD	
CCC(=NNC(=O)c1cn(C)nn1)c1cc(C(=O)O)ccc1F	1776092500	OTHHWUFVZAQFOD-UHFFFAOYSA-N	319.296	1.197	50	20	DDGD	
CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@](C)(Cl)CCl)C2	1795761852	STHOFFJGTYZMDS-LSCVPOLPSA-N	307.221	1.881	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccccc2)c1	14825005	DELPXTWEHKCDRH-UHFFFAOYSA-N	318.354	1.165	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)C1CCCCC1	17404021	MLOIOSPZVCFNMB-UHFFFAOYSA-N	300.362	1.764	50	20	DDGD	
CO[C@@H]1CCC[C@H]1NC(=O)NNc1ncnc2ccsc12	152552614	OCQMJHCFGSJCSZ-PSASIEDQSA-N	307.379	1.885	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NC[C@]2(C)CCCO2)cc(C#N)n1C	152987794	UVWGHAVHRACRLS-ROOCWEIGSA-N	312.373	1.797	50	20	DDGD	
CN(C)C(=O)N1CCC(C(=O)NNc2ccccc2F)CC1	153183950	OCPYTDLOEMUXEL-UHFFFAOYSA-N	308.357	1.662	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCCOc2ccc(F)cc2)[nH]n1	153221987	PMIVUGKJOAQRQU-UHFFFAOYSA-N	320.324	1.477	50	20	DDGD	
O=C(Cc1cccc([N+](=O)[O-])c1)NNc1ncccc1[N+](=O)[O-]	153395016	LDIHJEFXBLAQLK-UHFFFAOYSA-N	317.261	1.584	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc(N(C)C)cc1F)C1CC1	154112223	FUYMFMNIRYNBJE-SECBINFHSA-N	324.425	1.799	50	20	DDGD	
O=C(Cn1ncc2ccccc2c1=O)NNc1cccc(F)c1	154661179	ANEJEXLBSWLQOF-UHFFFAOYSA-N	312.304	1.679	50	20	DDGD	
O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNc1cccc(F)c1	154779607	MIOFZEHIGWQLQU-CHWSQXEVSA-N	319.336	1.444	50	20	DDGD	
Cc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)c1ccccc1	159501858	XKDBODYOOHDIFT-UHFFFAOYSA-N	322.324	1.266	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@@H]1CC(=O)N(C(C)C)C1	274540229	UDZIIDKEPZYPDJ-LLVKDONJSA-N	308.357	1.770	50	20	DDGD	
CSc1ccc(C(=O)NNC(=O)Cn2nc(C)cc2C)cc1	7519981	BPLHDQSVFFQEGS-UHFFFAOYSA-N	318.402	1.683	50	20	DDGD	
CN(C)c1ccnc(C(=O)NNC(=O)Cc2ccccc2F)c1	109020680	CEKNLAACJFPBEC-UHFFFAOYSA-N	316.336	1.290	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2[nH]1)c1ccc2c(c1)OCO2	8141221	GTFZAGYVTCMTAY-UHFFFAOYSA-N	323.308	1.971	50	20	DDGD	
CCCN1CC[C@H](CNC(=O)NNC(=O)c2ccccc2F)C1	54806261	HWZPDVKLHJGLIQ-GFCCVEGCSA-N	322.384	1.502	50	20	DDGD	
CCCC[C@@H](CC)CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1	117125874	ZWLZIRSBLYLIOZ-NEPJUHHUSA-N	318.439	1.175	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](c2ccccc2)N(C)C)n1	174480106	JEVCAEANHWDNAJ-AWEZNQCLSA-N	315.377	1.540	50	20	DDGD	
CC(=O)N1c2ccccc2C[C@H]1C(=O)NNC(=O)CC(C)(C)C	103197015	VHXZKPOIURFCRD-AWEZNQCLSA-N	317.389	1.548	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CNc2c(C)cccc2C)n1	174485688	KYTIZJYROJEVBI-UHFFFAOYSA-N	315.377	1.966	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(F)c2)C1	26353330	QKOLEVAQGNYOBB-SNVBAGLBSA-N	323.324	1.264	50	20	DDGD	
N#Cc1cccc(NNC(=O)C(=O)Nc2cc(F)ccc2F)c1	119445959	ZGBRRALGRVUEHZ-UHFFFAOYSA-N	316.267	1.918	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H](C)Cc1cccc(F)c1	68895343	BRFNBWVJZSDDLB-NSHDSACASA-N	311.357	1.371	50	20	DDGD	
CSCCCCC(=O)NNC(=O)Cc1cn2ccccc2n1	173893552	LXECGJDWUICMHA-UHFFFAOYSA-N	320.418	1.558	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H](NC(C)=O)C(C)C)c1ccccc1	110339912	PHNPIYAMGRPJGI-CABCVRRESA-N	319.405	1.488	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@@](C)(O)c1ccc(F)cc1	119150034	BNNBQGYFFVAGEA-OAHLLOKOSA-N	311.357	1.410	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C1(O)CCCCC1	127897470	CBIWSOCESJWOKQ-LLVKDONJSA-N	324.352	1.436	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1csc(-c2ccccn2)n1	122614733	GENNPEHAWNTDHK-UHFFFAOYSA-N	316.321	1.891	50	20	DDGD	
O=C(NC[C@H]1CCN(CC(F)(F)F)C1)NNc1ccccn1	79456714	STORTGUXJROQPT-SNVBAGLBSA-N	317.315	1.592	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)o1	123261417	QOGJUMQLHMROCO-UHTWSYAYSA-N	319.361	1.490	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)COc1cc(C)ccc1C)N(C)C	124482692	WMTIAFYZSSCKHR-CYBMUJFWSA-N	307.394	1.170	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NNC(=O)C2CC2)[nH]n1	126933207	ZUEWIJVPOFMNRW-UHFFFAOYSA-N	300.318	1.256	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cc(C)c(F)c(C)c1	78237632	IEXCTYFQJIUTCE-QMMMGPOBSA-N	302.371	1.798	50	20	DDGD	
CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)CBr)C1	374656050	ADNIPIZBJDYHTN-ZJUUUORDSA-N	311.245	1.085	50	20	DDGD	
CC[C@@H]1[C@@H](C)CCN1CC(=O)NNC(=O)Cc1nc(C)cs1	185584341	KNOZDRAERKJMDP-CMPLNLGQSA-N	324.450	1.262	50	20	DDGD	
CCOC(=O)NNC(=O)CC[C@@H]1Cc2ccccc2NC1=O	39547650	JGFXMRIOBMXEDI-LLVKDONJSA-N	305.334	1.355	50	20	DDGD	
CCC[C@@H]1C[C@H](C(=O)NNC(=O)c2ccc(C#N)cc2)CCO1	183647854	QRSZTASBEZLZAK-HUUCEWRRSA-N	315.373	1.915	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1	181973385	RPKLVVBGROOJKR-LLVKDONJSA-N	306.366	1.252	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Nc2nnc(C(C)(C)C)s2)cn1	184515445	JJGFGXBBXPCROV-UHFFFAOYSA-N	323.382	1.036	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)c1cnn(C)c1	186387772	HPCSVCYHKDTRFU-UHFFFAOYSA-N	318.293	1.103	50	20	DDGD	
COc1ccnc(NNC(=O)Cn2c(C)cc3ccccc32)n1	46364229	PIMKGXNBARZYBM-UHFFFAOYSA-N	311.345	1.892	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cc2n[nH]c3c2CCCC3)cc1	188844502	QTBOZYKAENMMMB-UHFFFAOYSA-N	323.356	1.164	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)NCC(C)C)cc1	42947603	SJGSJEXACPLLQQ-LBPRGKRZSA-N	323.393	1.839	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C[C@@H](NC(N)=O)c1cccs1	77219971	PTMVOHVJRQIQCQ-MRVPVSSYSA-N	312.395	1.041	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)Cn1c(C)cc(O)cc1=O	184327569	BILOCKCBHQWMQB-UHFFFAOYSA-N	305.309	1.453	50	20	DDGD	
NC(=O)N[C@H](CC(=O)NNc1ccnc(F)c1)c1cccs1	182417950	VNTGAWBYFZKWBQ-SECBINFHSA-N	323.353	1.525	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cncc(Br)c1	49128396	RSZSSQXLZPYLAE-UHFFFAOYSA-N	315.171	1.588	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccnn2CC2CC2)cc1	131555275	MZOKBLTYYDLOSU-UHFFFAOYSA-N	313.361	1.683	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc(F)c(Cl)c1	48654996	CATZKIWJLCBKTB-SSDOTTSWSA-N	308.762	1.835	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccn1C)N1CCc2ccccc21	195382690	UYMWMDPSDFSRJR-LBPRGKRZSA-N	312.373	1.237	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)C(C)(C)C#N)cc1OC	42127925	VRBQCIBDZYAUKQ-UHFFFAOYSA-N	319.361	1.795	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCCn1cccn1	45715085	YOVGPKOBMLOXDV-UHFFFAOYSA-N	301.350	1.226	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2CCCCC(=O)N2)cc1	193681733	YYWBPUIGUDGDPR-ZDUSSCGKSA-N	303.362	1.069	50	20	DDGD	
CSCCCCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	265687352	DZIHAUWGLJUEFI-ZDUSSCGKSA-N	324.402	1.507	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)N[C@@H]1C[C@H]1Cc1ccccc1	266976058	JCFLGPYNVXHLFL-HZPDHXFCSA-N	324.384	1.586	50	20	DDGD	
COc1ccc(C(=O)CCC(=O)NNC(=O)C2CCC2)cc1	264795519	SPQNLHLRUXRAHL-UHFFFAOYSA-N	304.346	1.606	50	20	DDGD	
C[C@H]1CCC[C@H](NC(=O)NNc2nc(O)c3cnn(C)c3n2)C1	269442957	SUQWRDAWJGWCRO-IUCAKERBSA-N	319.369	1.274	50	20	DDGD	
CN(C)c1ccc(-c2cncc(C(=O)NNC(=O)C3CC3)c2)cc1	268451278	PSUBPLIPKDGDHB-UHFFFAOYSA-N	324.384	1.986	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@@H]1CCO[C@]2(CCOC2)C1	364213128	GUPFQSFDDFSQDV-VXGBXAGGSA-N	311.831	1.263	50	20	DDGD	
N#CC1=CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CC1	366716667	BUXAANADKNZNGJ-CQSZACIVSA-N	310.357	1.112	50	20	DDGD	
CSSCCNC(=O)N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1	367082317	ZNTDSZVHOQCPEA-LOWVWBTDSA-N	320.480	1.976	50	20	DDGD	
CSCCCCCNC(=O)NNC(=O)c1ccccc1O	274944128	NETOGBAXRBRWKX-UHFFFAOYSA-N	311.407	1.870	50	20	DDGD	
Cc1cc(N(C)C)ccc1NC(=O)NNC(=O)c1cnn(C)c1	273293413	CXKZMFUSNAHWEA-UHFFFAOYSA-N	316.365	1.261	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2COc3cc(F)cc(F)c32)nn1	378638215	AGWMUJIGQXCYHT-SNVBAGLBSA-N	321.287	1.823	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCCN1CCSCC1	279145915	ZRYPUXILQGKFMW-SDNWHVSQSA-N	317.414	1.464	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)CC1CC1	273388888	DUNXSECSYJBBDC-UHFFFAOYSA-N	308.294	1.556	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(Cl)c2)CCO1	271254761	JRGHEXOEIIMDQT-SKDRFNHKSA-N	311.769	1.852	50	20	DDGD	
Cc1ncc2c(n1)CC[C@H](NC(=O)NNC(=O)OC(C)(C)C)C2	373933302	LDHDMSPKKBFHTD-NSHDSACASA-N	321.381	1.381	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@@H]2CCCC(F)(F)C2)n1	282760833	OVFVLKJXVRDSQU-ZCFIWIBFSA-N	305.716	1.981	50	20	DDGD	
COC(=O)CSCCC(=O)NNC(=O)Nc1ccccc1	282748468	JXROAPFAUVSUOK-UHFFFAOYSA-N	311.363	1.136	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1c([N+](=O)[O-])ccc(C)c1C	288920734	LUTCMJMFQSSFLL-UHFFFAOYSA-N	317.323	1.103	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CCc1nccs1	287720562	GBOKHROVRMICHO-UHFFFAOYSA-N	315.395	1.012	50	20	DDGD	
CCOC1(C(=O)NNC(=O)CNc2ccc(C)cc2)CCCC1	287297272	ZHDZCRUGGMEEBA-UHFFFAOYSA-N	319.405	1.904	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNc1nc(O)c2ccccc2n1	289846009	UUKWDXRYAPCQMD-VIFPVBQESA-N	318.333	1.368	50	20	DDGD	
COC(=O)N(C)NC(=O)COc1cccc(Br)c1	286266357	HWDNWJOPSFJEQY-UHFFFAOYSA-N	317.139	1.557	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(OC)c(Br)n1	286333539	LPMIPKIKZHLFAD-UHFFFAOYSA-N	318.127	1.196	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21	295961076	NAUZENRNVIJMTE-GQFFYDKCSA-N	321.377	1.412	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(C)c(NS(C)(=O)=O)c1	299258146	WHZOYLDDQDRPAU-PKNBQFBNSA-N	323.374	1.749	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)C1Cc2ccccc2C1	804957502	KRHUIWDAQSOGHH-UHFFFAOYSA-N	320.356	1.520	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1ccc(F)cc1O	804957458	WVQQFJPUGWGABR-UHFFFAOYSA-N	314.280	1.264	50	20	DDGD	
CCCCCS(=O)(=O)CC(=O)N(C)CC(Cl)Cl	808248011	ZZBYJSOBMKMQKC-UHFFFAOYSA-N	304.239	1.854	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNC(=O)c1cc(Cl)ccc1O	806354315	AFKZBRUXBFLIAA-UHFFFAOYSA-N	322.752	1.389	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCSC1)c1cccc([N+](=O)[O-])c1	809937452	SFSFKMJLHRYQTR-JTQLQIEISA-N	309.347	1.499	50	20	DDGD	
O=C(/C=C/c1ccc2[nH]ccc2c1)NNC(=O)[C@H]1CCCCO1	295828260	YWZQGSMTOIFPNW-KEDPEKRHSA-N	313.357	1.898	50	20	DDGD	
Cn1nccc1[C@H]1CCCN(C(=O)NNC(=O)C2CCCC2)C1	801055159	HGNWRVIRRVIMPS-ZDUSSCGKSA-N	319.409	1.531	50	20	DDGD	
O=C(NN=Cc1cc(F)ncc1F)c1ccc2c(c1)OCO2	807945574	QDMXDPFCDDEVEN-UHFFFAOYSA-N	305.240	1.852	50	20	DDGD	
Cn1ncc(NC(=O)NNC(=O)c2ccc[nH]2)c1-c1ccccc1	806777442	FEVYSVFGDDYUBJ-UHFFFAOYSA-N	324.344	1.882	50	20	DDGD	
CCN(CC)CCCNC(=O)NNc1ncc(F)cc1F	297856062	PNYTUDOWJNWRJD-UHFFFAOYSA-N	301.341	1.718	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cccc(CC)c1O	807370334	YZIKLZCXBPFJOF-UHFFFAOYSA-N	324.377	1.505	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)COCC1CC1	298501933	NZKYZZVUAKRNET-SNVBAGLBSA-N	310.325	1.167	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H]2CCCCO2)cnn1CC(C)C	295330572	HGMJOBCGNZPVHP-ZDUSSCGKSA-N	308.382	1.178	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)ccn1C	809937051	HZXYEFBNAVRZEL-UHFFFAOYSA-N	316.317	1.571	50	20	DDGD	
C#Cc1cncc(C(=O)NNC(=O)c2ccc(Cl)nc2)c1	806498534	MACWZWAEPUBBLV-UHFFFAOYSA-N	300.705	1.186	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2ccc([N+](=O)[O-])cc2C)c[nH]1	805383864	RZZTUVLGPZORKC-UHFFFAOYSA-N	302.290	1.657	50	20	DDGD	
Cc1ccc2[nH]cc(C(=O)NNC(=O)CC(C)C)c(=O)c2c1	804205973	XWWKHESWNXTKHF-UHFFFAOYSA-N	301.346	1.644	50	20	DDGD	
O=C(NN=Cc1c[nH]c(C(=O)O)c1)c1cnn(-c2ccccc2)c1	814848854	WGXNLDLHHVTXKC-UHFFFAOYSA-N	323.312	1.663	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cccc(C2CC2)c1	817322911	OINIJXJRMBIOQJ-AWEZNQCLSA-N	315.417	1.982	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1ccccc1C(=O)O	817881951	ZQFXMNCFFCWFLW-UHFFFAOYSA-N	314.388	1.451	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cc(Cn3cccn3)on2)cc1	815851677	PSEVJMJJONKVQI-UHFFFAOYSA-N	308.301	1.548	50	20	DDGD	
CO[C@@](C)(C=NNC(=O)c1ccc(-n2cnnn2)cc1)C1CC1	814756456	OSNQXHIEUSSTIF-HNNXBMFYSA-N	314.349	1.193	50	20	DDGD	
COCCOc1ccc(C=NNC(=O)Cc2cc[nH]n2)cc1	814955085	UDMCJVDMCSXRIW-UHFFFAOYSA-N	302.334	1.128	50	20	DDGD	
CC(=NNC(=O)N(C)C)c1nnn(-c2ccc(F)cc2)c1C	814821444	WFWUQLUYIKRXCK-UHFFFAOYSA-N	304.329	1.710	50	20	DDGD	
Cc1nn(C)c2sc(C(=O)NNc3ncncc3F)cc12	817081124	RLJCVVNLSNZJRR-UHFFFAOYSA-N	306.326	1.629	50	20	DDGD	
COCC(=NNC(=O)N1CCN(C)CC1)c1cccc(Cl)c1	814912929	DEYGERABIAYKCJ-UHFFFAOYSA-N	324.812	1.648	50	20	DDGD	
CC(=NNC(=O)c1cccn1C)c1cccc(OCC(=O)O)c1	725847109	SYQXHNOQECHSTH-UHFFFAOYSA-N	315.329	1.643	50	20	DDGD	
CC(C)Cn1[nH]c(CC(=O)NNc2cccnc2Cl)cc1=O	822584148	AVQHROVEJSQYOY-UHFFFAOYSA-N	323.784	1.567	50	20	DDGD	
CCC1(Cn2cc(C(=O)NNc3ccc(F)cc3)nn2)COC1	820682677	POJYUKLOTUGUNA-UHFFFAOYSA-N	319.340	1.601	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc(C(=O)O)cc1Cl	490842560	LQNNECLDZBPSGF-WDZFZDKYSA-N	308.721	1.708	50	20	DDGD	
CN1CCC[C@@H]1c1cc(C(=O)NNC(=O)C2CCCC2)n[nH]1	827720821	OXHHJRIATFXQFH-CYBMUJFWSA-N	305.382	1.128	50	20	DDGD	
COC(=O)NNC(=O)[C@@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C	496318169	BBTXUCCMVOJSEF-ZJUUUORDSA-N	317.386	1.559	50	20	DDGD	
CN(C)C(=O)c1ccc(C(=O)NNC(=O)CC(F)(F)F)cc1	728207883	XAINSZCTQQLVEP-UHFFFAOYSA-N	317.267	1.102	50	20	DDGD	
N#CCOc1ccc(CNC(=O)NNC(=O)c2ccc[nH]2)cc1	727942287	BSCNGRVXFLSWKT-UHFFFAOYSA-N	313.317	1.061	50	20	DDGD	
CCN(CCO)NC(=O)c1csc(Cc2ccc(F)cc2)n1	823856163	MDJKDHAQBWQUJB-UHFFFAOYSA-N	323.393	1.832	50	20	DDGD	
COC(=O)NN=C(CNC(=O)c1ccc([N+](=O)[O-])cc1)C(C)C	491498636	JRWHZOMNNHIAOL-UHFFFAOYSA-N	322.321	1.693	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@H]1NC(=O)O[C@H]1C	496737344	DCHPUZASSDETRW-XPUUQOCRSA-N	313.745	1.193	50	20	DDGD	
CCN(CCO)NC(=O)c1c(C)n(C)c2ccc(OC)cc12	823893731	UOQGATATODFUJY-UHFFFAOYSA-N	305.378	1.454	50	20	DDGD	
C#CCO[C@H](C)C(=O)NNC(=O)c1cccc(OC(F)F)c1	823089395	YDOGTOJEFQIZKQ-SECBINFHSA-N	312.272	1.087	50	20	DDGD	
CC[C@H]1CCCN1C(=O)NNC(=O)CNC(=O)c1cccs1	728951505	KHKZKMUQZAJUBZ-JTQLQIEISA-N	324.406	1.093	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2SCCc3ccccc32)nc(N)n1	828371884	OOWMCFOGEFLUDP-ZDUSSCGKSA-N	315.402	1.841	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H](C)Cc1ccccc1F	825752902	DUCJFCAPBPJXGM-MDZLAQPJSA-N	323.368	1.512	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	726753218	VWLFQZAKRLGLNB-UHFFFAOYSA-N	321.421	1.265	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)CCc1cccs1	827288696	NOIXMASBZNHPNG-PWSUYJOCSA-N	311.407	1.388	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)NNc1ncccc1F)C2	497079913	JSOUNBGNQZVSKM-UMNHJUIQSA-N	320.324	1.307	50	20	DDGD	
CN(C)c1ccc(C(=O)O)cc1C=NNC(=O)[C@H]1CCCS1	901255728	VTLNDSMITVSJJL-CYBMUJFWSA-N	321.402	1.797	50	20	DDGD	
COC(=O)NCCNC(=O)NNc1ccc(Cl)c(F)c1	496488056	FYYNUDUWLWLFGQ-UHFFFAOYSA-N	304.709	1.461	50	20	DDGD	
C[C@]1(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C[C@@H]1Br	906458320	DXFLOZJDRRCRQO-DCQANWLSSA-N	317.227	1.139	50	20	DDGD	
C[C@]1(C(=O)NCCO[C@H]2CCCCO2)C[C@@H]1Br	908311107	QIZOJUGQHHNQJT-NHCYSSNCSA-N	306.200	1.819	50	20	DDGD	
Cc1noc(C)c1[C@H](C)c1nc(-c2cccc(B(O)O)c2)no1	585051516	IMSMTCPTDYXYLT-QMMMGPOBSA-N	313.122	1.173	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)c2ccc(-c3nn[nH]n3)cn2)c1	826285227	SMJHCIWSZAVHLD-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
NC(=O)NCCCCCC(=O)NN=c1cc[nH]c2ccccc12	730289019	OUGGVXFYPIVASU-UHFFFAOYSA-N	315.377	1.329	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)COc1ccccc1O)C1CC1	730901580	CIAKAJUQBOTZQY-JTQLQIEISA-N	307.350	1.148	50	20	DDGD	
COc1cc(C#N)ccc1C(=O)NNC(=S)N[C@@H](C)C1CC1	824446298	IVZFPMHPSBORIY-VIFPVBQESA-N	318.402	1.474	50	20	DDGD	
OB(O)c1ccc(CN[C@@H](c2cc3ccccc3o2)C2CC2)o1	585023431	KZYMKTNZWLAUMT-QGZVFWFLSA-N	311.146	1.947	50	20	DDGD	
Cc1cccc(CN(C)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	827315405	QOHCBXAOGHOLBP-TZMCWYRMSA-N	305.378	1.593	50	20	DDGD	
CN(C)[C@]1(CNC(=O)NNC(=O)OC(C)(C)C)CCSC1	493073969	OFHPWFSPAKJFPK-ZDUSSCGKSA-N	318.443	1.163	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@H](CO)Cc2ccccc2)cn1	491079505	AOYYJLURJJXEMS-SOQAFLNVSA-N	324.384	1.294	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@]2(Cl)C[C@H]3CC[C@H]2O3)cc1	905129031	PSCPMKGQWTYKSY-IOASZLSFSA-N	322.792	1.939	50	20	DDGD	
Cc1cc(C)c(C=NNC(=O)CCNC(=O)OC(C)(C)C)[nH]1	494949663	DZXKOEGBAPZKCX-UHFFFAOYSA-N	308.382	1.996	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1ccc2[nH]c(C(=O)NC)cc2c1	490693439	IVZHHZSMLVKWSM-LUAWRHEFSA-N	312.329	1.910	50	20	DDGD	
COc1ccc(CCNC(=O)/C(C#N)=C/c2cnccn2)cc1	491086690	UVUFMLIOEKNIIX-GXDHUFHOSA-N	308.341	1.751	50	20	DDGD	
C[C@@H](CNCc1cccc(B(O)O)c1)Sc1ccccc1	585026127	CGOVCAVPTNXDHS-ZDUSSCGKSA-N	301.220	1.637	50	20	DDGD	
O=C1CCC(=NNC(=O)[C@H]2CCCCO2)c2ccccc2N1	834984809	DLJLRNAOZMENLZ-CQSZACIVSA-N	301.346	1.808	50	20	DDGD	
CCN(C)[C@H](C(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccc1	833250705	KFSGVTFRQWFIQZ-GJZGRUSLSA-N	319.405	1.396	50	20	DDGD	
CN(CC(=O)NNC(=O)C1CC1)[C@@H]1CCCc2ccccc21	733193621	ZZULQEOGWVBCJL-OAHLLOKOSA-N	301.390	1.553	50	20	DDGD	
CC1(C)C(CNC(=O)NNC(=O)N=c2cc[nH]cc2)C1(C)C	836438415	GIUZPRHTSSKGQV-UHFFFAOYSA-N	305.382	1.521	50	20	DDGD	
CC(C)Cc1noc(COC(=O)/C(C#N)=C\c2cnn(C)c2)n1	837970084	XSNHMOIHYSLENJ-XGICHPGQSA-N	315.333	1.652	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)c1snnc1C	731542544	ACRSNNNQXGAARD-UHFFFAOYSA-N	323.403	1.487	50	20	DDGD	
Cc1csc(CC(=O)NN=C2CCCc3nc(N)ccc32)n1	834932966	IJXNIXKXAVUMCZ-UHFFFAOYSA-N	315.402	1.828	50	20	DDGD	
OB(O)[C@H]1CCN(Cc2c(Cl)nc3cc(Cl)ccn23)C1	585077525	VIUDKTGDEREBHY-QMMMGPOBSA-N	313.981	1.690	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)COC(=O)C=C(C)C)cc1C	736735960	RMIYVTUZOBVFHR-UHFFFAOYSA-N	324.402	1.889	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NOCCSC)c1F	838575374	WQQPHVQEVWKYHB-UHFFFAOYSA-N	317.342	1.533	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNc2ccc3c(=O)[nH]ccc3c2)C1	838750063	RREIQGGRRDNMMY-BETUJISGSA-N	316.361	1.722	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2nn(C)cc2C)cc1C	839457027	QRFPAGZCIRXWMA-UHFFFAOYSA-N	316.361	1.185	50	20	DDGD	
Cc1cccc(C=NNC(=O)[C@@H](C)CN2CCOCC2)c1F	834933842	ROWKHCYEUVJAIX-ZDUSSCGKSA-N	307.369	1.553	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@@H](C(=O)O)C1)c1cccc(Cl)c1	833149299	MAZFVOSFGMYRTH-GXSJLCMTSA-N	324.764	1.992	50	20	DDGD	
O=C(N[C@@H]1CCC[C@H](C2CC2)C1)c1cc(B(O)O)ccc1F	584952799	WYEJPIIAJADFQD-WCQYABFASA-N	305.158	1.204	50	20	DDGD	
CO[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2)C12CCC2	838768796	RNLKQZDVWDHMPQ-QWHCGFSZSA-N	303.362	1.588	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	837852557	UAKDBVZVXJEEKA-UPJWGTAASA-N	312.410	1.938	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCOCC(F)F)cc1F	837059382	UDLDMFKZIBGQEW-UHFFFAOYSA-N	320.267	1.727	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)[C@@H]1CCCCO1)C1CCOCC1	838503183	RNCCHFVPKYPCSN-STQMWFEESA-N	313.398	1.091	50	20	DDGD	
O=C(NNc1ccccc1Br)C1(n2cnnn2)CC1	830771596	OTYOISCEYPGLIZ-UHFFFAOYSA-N	323.154	1.068	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2cc(C)[nH]n2)c1	918689128	PLDYBNLQKFXUNM-UHFFFAOYSA-N	303.391	1.966	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](Cc2ccccc2)C1	741791673	XAFKJOXWWNDIKW-HIFRSBDPSA-N	303.406	1.497	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@H]2C[C@H]2OCC)cc1	916163112	QEWOMLYXOGCMAQ-QWHCGFSZSA-N	323.418	1.828	50	20	DDGD	
CCC(=NNC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@H]1C[C@@H]1C	841641063	QLTWQDYHOVJTHJ-CABZTGNLSA-N	324.406	1.878	50	20	DDGD	
N#C[C@@H]1COCCN1S(=O)(=O)c1ccc(CCCl)cc1	742318642	AQYZPPMCMVBPLQ-GFCCVEGCSA-N	314.794	1.381	50	20	DDGD	
CC[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843653455	NJFOFVGORDWJKV-MDZLAQPJSA-N	324.352	1.556	50	20	DDGD	
COC[C@@H](C)CNC(=O)NNc1ncc(Br)cn1	847322597	YCNBUUNLPMSWCK-ZETCQYMHSA-N	318.175	1.148	50	20	DDGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1CCc2nccn2C1	842246223	RDMOZQXWKQMAOO-SECBINFHSA-N	319.296	1.636	50	20	DDGD	
C=C[C@H](C)ONC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	845639132	OIFMDTGNYZHPFZ-UWVGGRQHSA-N	311.313	1.430	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CCc2ccccc2O)s1	749530690	KXQVQAPMAYDHDD-UHFFFAOYSA-N	315.354	1.719	50	20	DDGD	
CC(C)(C)OC(=O)c1ccc(C(=O)NNC(=O)CC2CC2)cn1	846228913	SSAYQXVKEBYSJR-UHFFFAOYSA-N	319.361	1.598	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(COc2ccc(F)cc2)o1	910175866	VHWIVAFLQVJRCT-LLVKDONJSA-N	322.336	1.955	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1[N+](=O)[O-]	843649963	YCCYEZRDTAVDRZ-MWLCHTKSSA-N	307.306	1.089	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](C)Cc2cnc[nH]2)c([N+](=O)[O-])c1	847590149	VHSNUVXAHGHXRP-SECBINFHSA-N	319.321	1.648	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc(N)cc1C(F)(F)F	841298112	SVEQYBFNNPCTSH-UHFFFAOYSA-N	319.287	1.002	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCCOc1ccccc1	918057397	LCBQWUISOCFGIX-UHFFFAOYSA-N	305.256	1.348	50	20	DDGD	
CCN[C@H](C)CNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	841984365	AVLAXCICROQZFJ-SFCYXTAJSA-N	322.453	1.531	50	20	DDGD	
NCCC[C@@H](NC(=O)NNc1ncccn1)c1ccccc1	841998700	YAKOZGJGDOVWRY-CYBMUJFWSA-N	300.366	1.583	50	20	DDGD	
C[C@H](CCCN)NC(=O)NNC(=O)c1cc2ccccc2o1	842000687	ZKHDWFKBDSNHJS-SNVBAGLBSA-N	304.350	1.504	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H]2CCCNCC2)cc1	841979890	YXSZIWMQUWAZFV-CQSZACIVSA-N	304.394	1.335	50	20	DDGD	
CC[C@H](C(=O)Nc1cccc(NC(=O)NN(C)C)c1)[C@@H](C)O	844135916	ALECLKIRRILAHJ-MFKMUULPSA-N	308.382	1.630	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CCc3cncn3C2)c1	844139399	NEIIZTDTSNNBCA-GFCCVEGCSA-N	314.345	1.375	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CN(CC)CCC#N)cc1C	746463148	PLGJNHNNTYOOGH-UHFFFAOYSA-N	322.434	1.616	50	20	DDGD	
Cc1cc(Br)ccc1C(=O)NN(C)C[C@H](C)O	910170653	OSEGYMMHENKNPQ-VIFPVBQESA-N	301.184	1.715	50	20	DDGD	
CCN(CC)CCC(=O)NN=C(C)c1ccc([S@](C)=O)cc1	746368334	IHXNTMQNPDKGDW-QFIPXVFZSA-N	323.462	1.996	50	20	DDGD	
COc1ccc([C@H](C)C(C)=NNC(=O)CN2CCCC2=O)cc1	747629406	CVJAAKHEONXNSL-GFCCVEGCSA-N	317.389	1.913	50	20	DDGD	
CCCCN(C)c1ccc(NC(=O)NNC(=O)CCCN)cc1	841110512	IJCPSBSUWXRAKJ-UHFFFAOYSA-N	321.425	1.815	50	20	DDGD	
CCC[C@H](OC)C(=O)NNc1ncc(Br)cn1	848322721	LVQFHKMCCYESKQ-QMMMGPOBSA-N	303.160	1.497	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CSc2ccccc21	843650883	IFGWGFRNBSSGCK-UMNHJUIQSA-N	306.387	1.448	50	20	DDGD	
NCCOc1cccc(NC(=O)NNC(=O)C2CCCC2)c1	841281914	INZVSLXVKQCGOG-UHFFFAOYSA-N	306.366	1.367	50	20	DDGD	
Cc1cccc(-c2nc(C)c(C(=O)NNC(=O)CN(C)C)[nH]2)c1	757878498	DJIHHBGYJNEBAO-UHFFFAOYSA-N	315.377	1.016	50	20	DDGD	
CCO[C@H]1CCN(C(=O)NC[C@@]2(C)C[C@H]2Br)C1	923375134	YGMSAWQPWPHHLX-HOSYDEDBSA-N	305.216	1.980	50	20	DDGD	
CC1=CCCN(C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)C1	852591061	DJNZRJSNRATDLQ-UHFFFAOYSA-N	324.425	1.322	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1C1CCCC1)c1cccc(F)n1	856423453	UUCCRZIGMDNTLG-ZDUSSCGKSA-N	320.368	1.389	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)CCC(C)(C)[N+](=O)[O-])C1CC1	855094700	FLSZUOFEIDLRMH-QMMMGPOBSA-N	302.400	1.116	50	20	DDGD	
CCC1(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)COC1	755310526	QYNWXRKOCYRZLD-UHFFFAOYSA-N	314.345	1.060	50	20	DDGD	
COc1ccccc1C(=O)NNC(=S)NC[C@@H]1CCCCO1	758236487	WPAMNXFQBOIRSV-NSHDSACASA-N	323.418	1.373	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNC(=O)CC(C)(C)C)c1cnn(C)c1	927412175	DUTBWJZTESQXKS-CYBMUJFWSA-N	309.414	1.884	50	20	DDGD	
Cc1ccccc1C(=O)NNS(=O)(=O)CCC(C)(C)C#N	753016028	FZJXCYVXWVWWDG-UHFFFAOYSA-N	309.391	1.499	50	20	DDGD	
C[C@@H]1CC(=O)NCCN1C(=O)NC[C@@]1(C)C[C@H]1Br	856952745	DROBNHGSLLXVCG-KBVBSXBZSA-N	318.215	1.080	50	20	DDGD	
C[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)C[C@H](C)C1(F)F	859414384	VWVPLYVTTMVEAJ-UWVGGRQHSA-N	305.369	1.403	50	20	DDGD	
CN1C[C@H](NC(=O)NNc2ccc(Cl)cc2F)CC1=O	921341266	VVCFTZGLXJVJHY-MRVPVSSYSA-N	300.721	1.336	50	20	DDGD	
CS(=O)(=O)C1(CNC(=O)NNc2cc(F)ccc2F)CC1	922281403	VJRNKGBBBZGDTL-UHFFFAOYSA-N	319.333	1.168	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCNC(=O)[C@H]1c1ccccc1F	753232602	XYROJOAIROKPBW-PLSXKVAHSA-N	317.320	1.269	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cc(C#N)cs2)c1O	752794734	CAOPBIHSMCPPKH-UHFFFAOYSA-N	317.326	1.409	50	20	DDGD	
CNC(=O)NN=Cc1ccccc1I	920379265	SGKCEEAABKIQOY-UHFFFAOYSA-N	303.103	1.554	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccnc(C2CC2)c1	854283752	JKSRDOAYPCFFBE-UHFFFAOYSA-N	322.434	1.447	50	20	DDGD	
COc1ccccc1C/C(C)=C/C(=O)NNc1cnnn1C	857273713	UYSNGGZQOQJHIZ-PKNBQFBNSA-N	301.350	1.456	50	20	DDGD	
COC(=O)c1ncoc1CCC(=O)NCCSSC	854393381	FYBLPNFTFXQNIB-UHFFFAOYSA-N	304.393	1.521	50	20	DDGD	
C[C@H](CS(C)(=O)=O)NC(=O)NNc1cc(F)cc(Cl)c1	853733863	KQPZWOUOJIUMEF-SSDOTTSWSA-N	323.777	1.538	50	20	DDGD	
NC(=O)NCCCCC(=O)NNc1cc(F)cc(Cl)c1	855619768	VGSNBGWGRPDTKC-UHFFFAOYSA-N	302.737	1.761	50	20	DDGD	
CN(CC1(O)CCC1)C(=O)NC[C@]1(C)C[C@@H]1Br	856953866	TUUHSEYEAUTLID-ONGXEEELSA-N	305.216	1.716	50	20	DDGD	
CON1CCC(NC(=O)NC[C@@]2(C)C[C@@H]2Br)CC1	856866269	XGESFGZTRUNUJC-CMPLNLGQSA-N	320.231	1.485	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H](CO)CC(F)F)C[C@@H]1Br	856954873	KYRNBPVXBATOCR-MATHAZKKSA-N	315.158	1.475	50	20	DDGD	
CN1CC[C@H](C(=O)NNC(=O)c2cccn2C)c2ccccc21	750724352	IYDOMLFFGPPNRR-ZDUSSCGKSA-N	312.373	1.410	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc2nc(O)n(C)c2c1	751557787	NVNCSPSHEJLYGV-UHFFFAOYSA-N	324.340	1.662	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)c2ccccc2O)C[C@H]1Br	856753912	ZVZYGPDHUHMPSA-MNOVXSKESA-N	320.208	1.844	50	20	DDGD	
CN(C)c1cc(C(=O)NNC(=S)NCC2CCC2)ccn1	855091175	FCTCRIKXQCHPSC-UHFFFAOYSA-N	307.423	1.057	50	20	DDGD	
C[C@@H]1OCC(=NNC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)[C@@H]1C	853373957	UTMPJGHIILBCML-GFQSEFKGSA-N	320.393	1.415	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cnc3n2CCCCC3)n1	857132409	DXARSLXNHDVRPD-UHFFFAOYSA-N	315.381	1.222	50	20	DDGD	
O=C(CC[C@H]1CC1(Cl)Cl)NNC(=O)c1ccccn1	854122606	RARTUNXDHMLANI-QMMMGPOBSA-N	302.161	1.817	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCC1(F)F)c1cccc(F)n1	856426587	BFXQNBCZBVDGPZ-QMMMGPOBSA-N	301.268	1.807	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](c1nccn1C)C(C)(C)CO	855113089	QUBBHEOTALTAHX-ZKQHCESOSA-N	306.366	1.040	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2C[C@H]2OC(C)(C)C)c(O)c1	857007691	SFNAXGRUMFRHFM-DGCLKSJQSA-N	306.362	1.665	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(N2CCCC2)c(F)c1	756093128	HKXXWDLMIAADQB-UHFFFAOYSA-N	310.329	1.225	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc2cnn(C(C)C)c2nc1C	854927227	ZKHIZRQPLCAFFL-UHFFFAOYSA-N	320.422	1.402	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H](C)c2nc(C)no2)c1	858282130	DTTKLUSSOCXZAE-SSDOTTSWSA-N	309.351	1.453	50	20	DDGD	
CC(C)N1C[C@@H](NC(=O)NNc2cccc(C#N)c2)CC1=O	750643633	JRUVFLCKMIZPCG-ZDUSSCGKSA-N	301.350	1.194	50	20	DDGD	
C[C@H]1Cc2ccccc2C1=NNC(=O)C(=O)Nc1ccccn1	758386801	AZNKGELXYMSRQM-NSHDSACASA-N	308.341	1.733	50	20	DDGD	
CN1CCCC(=NNC(=O)[C@H]2COc3ccccc3O2)CC1	758092287	QEXWLBPAALHYIS-OAHLLOKOSA-N	303.362	1.414	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1ccco1	767252892	WKNUSTWKNXRLDS-UHFFFAOYSA-N	316.313	1.135	50	20	DDGD	
Cn1c(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cnc1O	864485748	VPAXJHKFHBASEV-UHFFFAOYSA-N	316.361	1.498	50	20	DDGD	
C=C(C)COCCNC(=O)NNC(=O)c1cc2c(s1)CCC2	762076046	OLIZYLJSASVUQS-UHFFFAOYSA-N	323.418	1.774	50	20	DDGD	
CN(C)c1ccc(NCc2ccc(B(O)O)cc2)cc1Cl	864025027	CARSBAIVKMKOIJ-UHFFFAOYSA-N	304.586	1.698	50	20	DDGD	
O=C(COC1CCOCC1)NNc1ncnc2ccsc12	766671431	KYBKJPXIGKOPTM-UHFFFAOYSA-N	308.363	1.330	50	20	DDGD	
C[C@H](NNC(=O)c1ccnc(N2CCCCC2)n1)C(F)(F)F	862313793	OKXUHGYIZWTNLP-VIFPVBQESA-N	317.315	1.652	50	20	DDGD	
COc1ccc(CNS(=O)(=O)CC(C)(C)CCl)cn1	866441011	VIVOWJZMWJYOHR-UHFFFAOYSA-N	306.815	1.775	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccnc(N2CCCCC2)c1	934076440	YSVVRBPWVXTLQT-UHFFFAOYSA-N	303.366	1.635	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNCC(F)(F)C(F)(F)F	863092558	AOXFGHHKVZDQMP-UHFFFAOYSA-N	322.237	1.695	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(OC)c(OC(C)C)c1	760965571	CICZSVAYXMNLTN-UHFFFAOYSA-N	311.338	1.282	50	20	DDGD	
CN(C)CCOc1ccc(C=NNC(=O)c2cn[nH]c2)cc1	863156272	UBPZZJNLALDIBM-UHFFFAOYSA-N	301.350	1.114	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H]1CCCN1S(=O)(=O)CBr	867023382	HKXGTNHMHRMYKM-VIFPVBQESA-N	322.228	1.846	50	20	DDGD	
CC(=NNC(=O)Cn1nc(C)cc1C)c1ccc(C#N)s1	762443859	SNEMRHNOTIIDMQ-UHFFFAOYSA-N	301.375	1.974	50	20	DDGD	
CN=[S@@](C)(=O)c1cccc(NCc2ccc(B(O)O)cc2)c1	864014369	OCWCIOBCNLNQJF-QFIPXVFZSA-N	318.207	1.065	50	20	DDGD	
COCCOCc1ccc(NCc2ccccc2B(O)O)cc1	863892152	OAXPQENUNFIUCX-UHFFFAOYSA-N	315.178	1.142	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)c1cn(C2CC2)nn1	1118966822	PBYKHYBSMJXIOL-UHFFFAOYSA-N	313.361	1.397	50	20	DDGD	
O=C(NNS(=O)(=O)CCC1CCCCC1)[C@@H]1CCCCO1	872373055	XXILWSMBNFYCCU-ZDUSSCGKSA-N	318.439	1.477	50	20	DDGD	
Cc1cn2ccnc(C(=O)NN=c3cc[nH]c4ccccc34)c2n1	762863769	CLBDOFIOZWTCCL-UHFFFAOYSA-N	318.340	1.765	50	20	DDGD	
Cc1ccc(C=NNC(=O)CNC(=O)c2cccs2)nc1	761813249	VPZGLBYQEANZFT-UHFFFAOYSA-N	302.359	1.332	50	20	DDGD	
O=C(NCC(F)(F)F)NN=Cc1cnc(C2OCCO2)s1	761799346	HMAAYMDBDIPFLI-UHFFFAOYSA-N	324.284	1.384	50	20	DDGD	
CC[C@@H](C)n1ncc(NC(=O)NNC(=O)C2CCOCC2)c1C	879356656	BOEDFRQJUILRQC-SNVBAGLBSA-N	323.397	1.742	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)C1(OC)CCC1	873769092	JXSSRFVGJGUGFP-UHFFFAOYSA-N	309.391	1.582	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNc1nncc(N)c1Cl	1117641520	ZLXLQXFRONOAKK-UHFFFAOYSA-N	301.737	1.379	50	20	DDGD	
Cc1ccccc1OCCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	1118208818	YBTYOMCURILOGC-OLZOCXBDSA-N	306.362	1.336	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)Nc1nn2cnnc2s1	870179795	JLCHBZOMYGQMGF-RXMQYKEDSA-N	318.200	1.934	50	20	DDGD	
CCOc1cnc(C(=O)NNC(=O)c2ccccc2F)cn1	777412285	NTYFYSPVMLFNMW-UHFFFAOYSA-N	304.281	1.089	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(CS(C)(=O)=O)cc2)ncn1	1116070510	QPTKPXASRFALLC-UHFFFAOYSA-N	320.374	1.087	50	20	DDGD	
CC[C@@]1(CNC(=O)NN(C)C(=O)OC)OCCc2ccccc21	875592363	WNZMVOQSWXOIEW-INIZCTEOSA-N	321.377	1.777	50	20	DDGD	
Cc1c(F)cc(C(=O)O)cc1S(=O)(=O)N1CC=C(C#N)CC1	871935135	RSKHFFJKDWZPHS-UHFFFAOYSA-N	324.333	1.677	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1sccc1SC	772098566	SDJPUCUSSFVIID-ZETCQYMHSA-N	316.404	1.573	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NNc1c(C)cccc1F	771343970	KAEHUXZCIMJAJW-ZYHUDNBSSA-N	308.357	1.675	50	20	DDGD	
COC(=O)Cc1cccc(C(=O)NNC(=O)CC(F)(F)F)c1	777780797	GPOXMMQMNRROMA-UHFFFAOYSA-N	318.251	1.116	50	20	DDGD	
O=C(CCCN1C(=O)CCC1=O)NNc1cc(Cl)ccn1	778451074	IYFZDFCZDFIXPU-UHFFFAOYSA-N	310.741	1.107	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1cc2c([nH]1)CCCC2	872348833	UTAMGMNPXUOSTI-UHFFFAOYSA-N	314.345	1.367	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)C1CC1)c1ccc(OC)cc1	774815990	KHYJWSIIVMEZFN-AWEZNQCLSA-N	305.378	1.293	50	20	DDGD	
CCNC(=O)CC(=O)NNC(=S)Nc1cc(C)ccc1C	873755036	DDCNKCNSGAKBQU-UHFFFAOYSA-N	308.407	1.147	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)C2CC(F)(F)C2)c1	776533291	LBKZDZSNECGIPA-UHFFFAOYSA-N	304.318	1.579	50	20	DDGD	
Cc1nc2ccccc2n1CCC(=O)NNC(=O)c1ccccn1	771839237	NYJITOXAGOOGBI-UHFFFAOYSA-N	323.356	1.591	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N1CCC[C@@H](C#N)C1)c1ccccc1	1121948752	VSYCIMOJEDWMHO-ZDUSSCGKSA-N	314.389	1.941	50	20	DDGD	
CC1(C)CCC[C@H](CNC(=O)NNC(=O)c2cccnn2)C1	883684262	BCQPOULOHCDGKX-NSHDSACASA-N	305.382	1.637	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccccc1)C1(CN)CCCCC1	883453974	KXQVBMTYNPUFPM-UHFFFAOYSA-N	318.421	1.041	50	20	DDGD	
O=C(NCC[C@@H]1C[C@H]2CC[C@H]1C2)NNC(=O)c1cccnn1	883151529	PEKOILQHMCASAT-SDDRHHMPSA-N	303.366	1.247	50	20	DDGD	
O=S(=O)(CCCCl)N[C@H]1CCO[C@H](c2ccncc2)C1	882238829	XEXJLPAKXFGWRK-STQMWFEESA-N	318.826	1.850	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cccc3ccn(C)c23)nn1	788338340	UIDZEUISXYJBMT-UHFFFAOYSA-N	324.344	1.359	50	20	DDGD	
Cc1ccccc1[C@@H](CO)N(C)S(=O)(=O)CBr	885523159	VDMUBDZPTWPETC-LLVKDONJSA-N	322.224	1.642	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1ccccc1-n1ccnn1	781833183	CMGXUKXFWSJZOF-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@@H]1CC(=O)c2ccccc21	789647001	CIRFEDGUYSQEJG-CQSZACIVSA-N	309.325	1.142	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCCc1ccc(S(N)(=O)=O)cc1	786674578	VULFXQRAUYREKK-LCYFTJDESA-N	320.370	1.280	50	20	DDGD	
O=S(=O)(CCCCl)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1	882189725	RQKIWACENMJTPC-DTWKUNHWSA-N	323.764	1.438	50	20	DDGD	
O=C(NN=Cc1sccc1Cl)C(=O)Nc1ccccn1	782250202	XXPSCRMWKHUFHT-UHFFFAOYSA-N	308.750	1.885	50	20	DDGD	
CSc1ccc(C(=O)NNC(=O)N2CCN(C)CC2)cc1	788166182	JPCNLMAFTPUASD-UHFFFAOYSA-N	308.407	1.010	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1nc(C(C)(C)C)cs1	789731372	DFHLDTMTNBSEQB-UHFFFAOYSA-N	312.395	1.183	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NNc1ncncc1Cl	781820185	NPHKTZJBQKPYBL-UFBFGSQYSA-N	320.736	1.802	50	20	DDGD	
CN1C(=O)Cc2cc(NC(=O)NNC(=O)C3CCCC3)ccc21	788707584	LWFIZUIFCLVQGN-UHFFFAOYSA-N	316.361	1.548	50	20	DDGD	
Cc1c(NNC(=O)[C@H]2CCC[C@H](C(N)=O)C2)cccc1[N+](=O)[O-]	787133842	LEEVITURSDFYFR-QWRGUYRKSA-N	320.349	1.638	50	20	DDGD	
O=C(/C=C/c1ccc2c(c1)OCO2)NNC(=O)C1CCOCC1	894097037	AMBHUMDIOBHQGQ-DUXPYHPUSA-N	318.329	1.003	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)NCCC#N)cc1OC	787351584	PJPUQJLTIADXLH-UHFFFAOYSA-N	320.349	1.342	50	20	DDGD	
CCOc1ncccc1NC(=O)C(=O)NNc1ccnc(F)c1	784852041	PGSDGRIHVFBCNE-UHFFFAOYSA-N	319.296	1.096	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNc2cccc(OC)n2)c1	780772089	UWCSOMZYQQCVEE-UHFFFAOYSA-N	301.302	1.634	50	20	DDGD	
C[C@@H](OC[C@H]1CCCO1)C(=O)NNc1ncncc1Cl	781825693	OZEIIKGCGOENMI-RKDXNWHRSA-N	300.746	1.157	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1ccc2cncn2c1	786119556	FRDCGZLBTAETJN-UHFFFAOYSA-N	312.304	1.477	50	20	DDGD	
COC(=O)c1ccc(/C=C(/C#N)C(=O)NC2CCCC2)n1C	899346673	SPULETPQXFUKDT-LUAWRHEFSA-N	301.346	1.777	50	20	DDGD	
CO[C@]1(C(=O)NC[C@]2(C)C[C@@H]2Br)CCSC1	893069566	DIOWXVUGGPYIEU-INTQDDNPSA-N	308.241	1.798	50	20	DDGD	
CN(NC(=O)c1cn2cc(Cl)cc(Cl)c2n1)C(N)=O	799715318	OTHSHABVYRPDIC-UHFFFAOYSA-N	302.121	1.296	50	20	DDGD	
CN1CCC[C@H]1c1cc(C(=O)NNc2nccnc2Cl)n[nH]1	896385128	GOIGADCZWADSKK-JTQLQIEISA-N	321.772	1.377	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2ccc(N(C)C(C)C)nc2)n[nH]1	790166500	IMZHGHLISPNHAY-UHFFFAOYSA-N	300.366	1.722	50	20	DDGD	
CSSCCNS(=O)(=O)c1ccc2c(c1)OCO2	790350076	OABJLTZBPXDGNS-UHFFFAOYSA-N	307.418	1.705	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1ccn(-c2ccccc2)n1	798305844	JDHKOZDZHKYTKF-UHFFFAOYSA-N	315.402	1.096	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H]2N(C)CCCC2(C)C)nn1	790539493	PKKCGDWHDWBUKB-GFCCVEGCSA-N	306.414	1.532	50	20	DDGD	
Cc1cccnc1NNC(=O)c1nn(C)c(=O)c2ccccc12	791214697	KMTAXTARGJMILO-UHFFFAOYSA-N	309.329	1.394	50	20	DDGD	
O=C(NNC(=O)c1cn2c(n1)CCCC2)NC1CCCCC1	799519182	QBVDAFLHSWWSKT-UHFFFAOYSA-N	305.382	1.496	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)c1cccc(OC)c1O	795011117	DIPAVMAMCAZAMI-NOZJJQNGSA-N	310.350	1.223	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)[C@@H]1CCN(CC(F)(F)F)C1	792637022	BLJHUWVSIVYKEF-LLVKDONJSA-N	321.343	1.598	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(C#N)c(OC)c1	799482519	UWLZRTROZIHUKA-NSHDSACASA-N	305.334	1.068	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=C[C@H]1CCCSC1	794905303	GHMFDVGVGAIXPJ-SNVBAGLBSA-N	311.432	1.723	50	20	DDGD	
CCCN(CC(F)(F)F)[C@H](C)C(=O)NNC(=O)CC(C)C	1319329103	WFQBXZPNWWUEIC-SNVBAGLBSA-N	311.348	1.843	50	20	DDGD	
COc1ccc(-n2c(C)cc(C=NNC(=O)CCO)c2C)cc1	1318931523	OTUCQLGJBMYBQY-UHFFFAOYSA-N	315.373	1.935	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C[C@H](CC#N)c1ccccc1	1321496256	JSJSKHNFCRRPKB-ZDUSSCGKSA-N	304.419	1.978	50	20	DDGD	
O=C(CN1Cc2ccccc2C2(CCC2)C1)NNC(=O)C1CC1	1327873094	YMTCQGXLPDDGQB-UHFFFAOYSA-N	313.401	1.481	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)c1ccc(OC)cc1)c1cccnc1	1322762120	JORBZXZEURMFCD-AWEZNQCLSA-N	315.329	1.239	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)c2n[nH]c3c2CCCC3)s1	1320193810	NGVORIFRHVTDEC-UHFFFAOYSA-N	318.406	1.575	50	20	DDGD	
Cc1nnc(CNC(=O)NC[C@]2(C)C[C@@H]2Br)n1C	1334646222	CJCSVJSFFZERMK-KWQFWETISA-N	316.203	1.096	50	20	DDGD	
CO[C@@H](CNS(=O)(=O)CBr)C1CCCCC1	695126307	MCKIEOGYGRSCEL-JTQLQIEISA-N	314.245	1.854	50	20	DDGD	
CC(C)c1ncc(C(=O)NNC(=O)COc2ccccc2O)[nH]1	1330337227	IPPWIOWQIOZABF-UHFFFAOYSA-N	318.333	1.079	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2c[nH]cc(Cl)c2=O)cc1	1343490407	MCPLFLQNYJBFAR-UHFFFAOYSA-N	319.748	1.666	50	20	DDGD	
O=C(NNC(=O)c1cnn(C2CCC2)c1)c1ccc(Cl)nc1	1341154912	NMPBZQSMBHRLET-UHFFFAOYSA-N	319.752	1.731	50	20	DDGD	
CCN(CC)CC[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCCCO1	1263305279	UZIJPZGFHJPBFS-OLZOCXBDSA-N	314.430	1.006	50	20	DDGD	
C[C@@H]1CCCN1c1nnnn1C[C@@]1(C)C[C@H]1Br	1355982573	AXTLAOLBIHMGTC-FXPVBKGRSA-N	300.204	1.835	50	20	DDGD	
C[C@@H]1[C@@H](C(=O)NNc2ncc(Br)cn2)C1(F)F	1352412110	CBKFBTYONOCUJL-XINAWCOVSA-N	307.098	1.583	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CCC[C@H]2CC(=O)O)c1	1600648122	OSHQVTZBXDBQKS-VIFPVBQESA-N	311.363	1.350	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C2CCCC2)cccc1-c1nn[nH]n1	1605479634	GVXGMNDRNYFKBN-UHFFFAOYSA-N	314.349	1.126	50	20	DDGD	
Cc1nnc(CC(=O)NNc2cccc(F)c2C(=O)O)s1	1600794022	DKHFZWRJZMPHIH-UHFFFAOYSA-N	310.310	1.370	50	20	DDGD	
COc1cccc(C(=O)NNc2ncccc2C(=O)O)c1OC	1604857041	LCJXEODXHNRDCC-UHFFFAOYSA-N	317.301	1.554	50	20	DDGD	
Cc1c(NNC(=O)C(C)(C)c2cnn(C)c2)cccc1C(=O)O	1607550287	HCZDOHKXVDOHHE-UHFFFAOYSA-N	316.361	1.848	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)c1c(F)ccc(O)c1O	1608948314	PGNKGGURVPWORI-UHFFFAOYSA-N	306.249	1.692	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=C2CC[C@@H](C(=O)O)C2)n1	1600184211	QKQIHLLKMVHYIU-SNVBAGLBSA-N	322.390	1.542	50	20	DDGD	
COCCC(=O)NNc1cc(C(=O)O)ccc1Br	1606851242	MEIREIDYRDQMSG-UHFFFAOYSA-N	317.139	1.627	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CCc3n[nH]cc3C2)cc1F	1608904024	DTHIDVZFLAMWLN-MRVPVSSYSA-N	318.308	1.495	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1C2CCC1(C(=O)O)CC2	1601045275	JTXCVGJGERJVIH-XFXZXTDPSA-N	312.325	1.907	50	20	DDGD	
O=C(O)CCCC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	1608708876	UWEBCENNRUVIOD-UHFFFAOYSA-N	318.251	1.721	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNc1ccc(C)c(C(=O)O)c1	1605510209	WHEYDBWNAYILPP-NSHDSACASA-N	308.334	1.726	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1ccc(Cl)cn1	1549318967	FPFWETBGHRDUOZ-TZMCWYRMSA-N	322.796	1.438	50	20	DDGD	
Cc1[nH]c(C(=O)NNc2ncncc2Cl)c(C)c1C(=O)O	1610402406	UJPRZNIDAHUTEL-UHFFFAOYSA-N	309.713	1.530	50	20	DDGD	
CC[C@@H]1CC(=NNC(=O)[C@H]2CCCO[C@H]2c2ccnn2C)CO1	1549315974	PNZKFKKDMPJRBO-VNHYZAJKSA-N	320.393	1.559	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)C2(N)Cc3ccccc3C2)n1	1579861535	XGDYHZBYGICXSP-UHFFFAOYSA-N	317.780	1.378	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H](C)N	1575412636	CUAKXVDIWPFWDO-AUUDPHHASA-N	321.465	1.970	50	20	DDGD	
Cc1c(NNC(=O)[C@H]2CC[C@H](C3CC3)N2)cccc1[N+](=O)[O-]	1579541250	NJEHNUVSWYCAEH-CHWSQXEVSA-N	304.350	1.877	50	20	DDGD	
Cc1ccc(-c2nc(C)c(C(=O)NNC(=O)[C@H]3CCN3)s2)o1	1579648596	MBKNHMRWSSFDFP-SECBINFHSA-N	320.374	1.143	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@@H](N)C(C)(C)C)o1	1577693258	RFTCYCZVMWAYJE-CYBMUJFWSA-N	324.425	1.256	50	20	DDGD	
C[C@H](C(=O)O)C(=O)NNc1cccc(F)c1Br	1588576091	NUHXYEIYOXSGSZ-YFKPBYRVSA-N	305.103	1.752	50	20	DDGD	
CCn1ccc(CC(=O)NNc2cccc(F)c2C(=O)O)n1	1597905169	VBVWDAPHKPJMAH-UHFFFAOYSA-N	306.297	1.426	50	20	DDGD	
O=C(O)c1cnc(C(=O)NNc2cccc3cnccc23)cn1	1595266327	IEZXCKALFGFDAM-UHFFFAOYSA-N	309.285	1.480	50	20	DDGD	
O=C(Cc1cc(C2CC2)no1)NNc1ncccc1C(=O)O	1594705179	HFNRPOGTSCYJPS-UHFFFAOYSA-N	302.290	1.331	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H](C(=O)O)C(C)(C)C)cc1	1594375832	QDQLFNOELVISHB-CYBMUJFWSA-N	322.361	1.268	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2c(C(=O)O)cnn2C)cc1F	1594347143	YEZHBXQGAAUFJX-UHFFFAOYSA-N	304.281	1.330	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)O)C1(C)C	1593855834	OGPNKMPDTQUTEP-HRDYMLBCSA-N	301.343	1.034	50	20	DDGD	
C[C@@H](CBr)COC(=O)c1ccc(C(=O)O)cn1	1592213645	ZITSIKNKAGXNIM-ZETCQYMHSA-N	302.124	1.968	50	20	DDGD	
COc1cc(NNC(=O)NCCOCC(=O)O)ccc1Cl	1594066809	ZQVVWHWANKHMNL-UHFFFAOYSA-N	317.729	1.076	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H]2CO[C@H](CCC(=O)O)C2)cc1	1592705638	TYZVCWXHOVZLMZ-SMDDNHRTSA-N	322.361	1.798	50	20	DDGD	
C[C@]1(C(=O)N2CCSC[C@@H](C(=O)O)C2)C[C@@H]1Br	1593748464	TZZRIQWSIWNISC-LAEOZQHASA-N	322.224	1.436	50	20	DDGD	
Cc1cc(C=NNC(=O)c2cn3c(n2)CCCC3)[nH]c1C(=O)O	1776105644	YILIHYGGNNFLRR-UHFFFAOYSA-N	315.333	1.318	50	20	DDGD	
COC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Cl)C2	1793672518	ILHAREWBMONINA-SVNGYHJRSA-N	320.792	1.442	50	20	DDGD	
Cc1occc1C(=O)OCC(=O)NNC(=O)c1ccccc1	5398123	JYBQVGSKYJVULJ-UHFFFAOYSA-N	302.286	1.206	50	20	DDGD	
Cc1c(NC=C(C#N)C#N)cccc1S(=O)(=O)NC1CC1	150836228	WEEPFDBQIUOYPD-UHFFFAOYSA-N	302.359	1.779	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1	162162804	ABSCKUFIZCHTDZ-UHFFFAOYSA-N	318.377	1.414	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)N[C@H]2C=CCCC2)c1	158659260	LJVLWOICQFHUPA-ZDUSSCGKSA-N	302.378	1.805	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H](CCO)C(C)C)cc(C#N)n1C	155583004	PNQCYQPOPFBXDH-KAMPRCONSA-N	314.389	1.635	50	20	DDGD	
COc1cccc([C@H](O)C(=O)NNC(=O)c2ccccc2)c1	154178478	LIJDIDAYLLQQLS-AWEZNQCLSA-N	300.314	1.190	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)c2csc3ccccc23)nn1	154366515	BKPNGRRBDUXLKY-UHFFFAOYSA-N	313.342	1.547	50	20	DDGD	
CCOc1ccccc1NC(=O)NNC(=O)c1ccccn1	7066983	FZOXMUMDHUDKJX-UHFFFAOYSA-N	300.318	1.947	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)C(=O)Nc1ccccc1	110853984	WZIQGCHRZXANST-UHFFFAOYSA-N	323.312	1.818	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2oc3c(c2C)C(=O)CCC3)[nH]n1	178008773	MHGDBEPKYVBVNA-UHFFFAOYSA-N	316.317	1.213	50	20	DDGD	
CCC(=O)N1CC[C@@H](NC(=O)NNc2cccc([N+](=O)[O-])c2)C1	177710367	IKFZHZPJIYISFO-LLVKDONJSA-N	321.337	1.232	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc2sc(N(C)C)nc2s1	65042728	ICVSVGYVJVWUPE-UHFFFAOYSA-N	314.392	1.815	50	20	DDGD	
NC(=O)COc1ccc(C(=O)NNc2c(F)cccc2F)cc1	118511980	RXDRXBPVPNOICP-UHFFFAOYSA-N	321.283	1.586	50	20	DDGD	
O=S(=O)(c1ccc(CCl)cc1)N1CCC[C@@H](CO)C1	306025954	KILOMARGTTYVNJ-GFCCVEGCSA-N	303.811	1.818	50	20	DDGD	
O=C(/C=C/c1ccco1)NNC(=O)Cc1cn2ccccc2n1	173883842	XXWDQUVZDHYJIN-VOTSOKGWSA-N	310.313	1.331	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)C1CCC(C(F)(F)F)CC1	405009774	VRJNDVAHQMNQDP-UHFFFAOYSA-N	315.100	1.674	50	20	DDGD	
C[C@H]1CCC[C@@H](NC(=O)NNC(=O)Cc2ccncc2)[C@@H]1C	176137917	JBHIIJPUPDDVOA-OUCADQQQSA-N	304.394	1.779	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1C[C@H]1c1c(F)cccc1F	116468982	LXHPVTCHKJLKIK-BDAKNGLRSA-N	311.357	1.750	50	20	DDGD	
COCCOc1cccc(C(=O)NNc2ccc(Cl)nn2)c1	118498188	BBVGGLSBSDOWSX-UHFFFAOYSA-N	322.752	1.912	50	20	DDGD	
Cc1cc(NNC(=O)CCCc2nc(C(C)(C)C)no2)ncn1	172273583	UBAHGJDPFPGAFS-UHFFFAOYSA-N	318.381	1.932	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2ncccc2C)n1	175468414	QSEBTSSEAKESND-UHFFFAOYSA-N	302.338	1.323	50	20	DDGD	
CCN(C)[C@@H](C(=O)NNC(=O)NC1CCCC1)c1ccccc1	68310064	PZPCRBFVDQSIRL-OAHLLOKOSA-N	318.421	1.952	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)CCOc2ccccc2)[nH]n1	129210066	DJGDTKSRCLNPQC-UHFFFAOYSA-N	316.361	1.592	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cnn(C(C)(C)C)c2)[nH]n1	186244132	NHXFELCGMZVPKX-UHFFFAOYSA-N	305.342	1.136	50	20	DDGD	
CC[C@@H](C)[C@H](C)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1	181775576	DLKDMRHPPCFWBS-MNOVXSKESA-N	316.365	1.106	50	20	DDGD	
CN(C)c1ccnc(C(=O)NNc2cc(C#N)cc(Cl)n2)c1	126070984	MDCLYYRLUOAQRE-UHFFFAOYSA-N	316.752	1.825	50	20	DDGD	
Cc1cc(C)cc(CCC(=O)NNc2ccc(C(N)=O)nn2)c1	181898014	QKPAQTKBZPRHHQ-UHFFFAOYSA-N	313.361	1.268	50	20	DDGD	
Cc1ccc(C(=O)NCCC(=O)NNc2ccncc2)c(O)c1	180477040	NRXYZTYNVRVNRU-UHFFFAOYSA-N	314.345	1.359	50	20	DDGD	
COCCC(C)(C)C(=O)NNc1nc2ccccc2c(=O)[nH]1	185429250	KJGIBOVPJWSRFC-UHFFFAOYSA-N	304.350	1.429	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	188904287	QOJGJJVEYULTIZ-LLVKDONJSA-N	319.336	1.701	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2cnc3c(c2)nnn3C)c1	183431861	KSKMWPTZEYUSOK-UHFFFAOYSA-N	300.297	1.568	50	20	DDGD	
C[C@@H](Oc1ccc(C(=O)NNC(=O)CO)cc1)c1ccccc1	188433697	ZWPJUYXFFPGQRM-GFCCVEGCSA-N	314.341	1.580	50	20	DDGD	
Cn1ccnc1-c1cccc(NC(=O)NNC(=O)c2ccc[nH]2)c1	184907404	QUWJXTOSZMNISQ-UHFFFAOYSA-N	324.344	1.882	50	20	DDGD	
C[C@H](C(=O)NN(C)C(N)=O)N1CCC(Cc2ccccc2)CC1	182644841	OROBQVIELBRWTP-CYBMUJFWSA-N	318.421	1.371	50	20	DDGD	
CCc1onc(C)c1NC(=O)C(=O)NNc1ccc(F)cc1F	131377910	XKELOILATKPLJP-UHFFFAOYSA-N	324.287	1.905	50	20	DDGD	
COc1cc(C(=O)NNc2ccc(-c3ccccc3)nn2)on1	139482555	PEGMBPZLIOCCKE-UHFFFAOYSA-N	311.301	1.897	50	20	DDGD	
CC(C)NC(=O)CN1CCN(C[C@@H](C)CBr)CC1	133585630	GPNVIUPMSPRVKS-LBPRGKRZSA-N	320.275	1.160	50	20	DDGD	
C[C@H](CBr)CN1CCC[C@@H]1CN1CCOCC1	133827682	ULFZLQIRBAMSIY-CHWSQXEVSA-N	305.260	1.814	50	20	DDGD	
O=C(CC[C@@H]1CCCO1)NNC(=O)c1ccc2ccccc2n1	46304832	QPHHADXKOVLBKR-ZDUSSCGKSA-N	313.357	1.955	50	20	DDGD	
COCCOc1ccc(CC(=O)NNC(=O)c2ccc[nH]2)cc1	192056194	ZDVUTBLBDBCKJF-UHFFFAOYSA-N	317.345	1.044	50	20	DDGD	
O=C(CCn1cncn1)NNc1ccccc1OC(F)(F)F	190189200	GGYJOCXAOIFCQQ-UHFFFAOYSA-N	315.255	1.710	50	20	DDGD	
CCC(=O)Nc1ccc(NC(=O)NNc2cnccn2)cc1	92425223	LGPWFKXDTSWURM-UHFFFAOYSA-N	300.322	1.974	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc2[nH]ccc2c1	94121245	IJICTTYXJYLVDV-UHFFFAOYSA-N	308.432	1.640	50	20	DDGD	
C[S@](=O)c1ccc(NC(=O)NNC(=O)c2ccccc2)cc1	92018887	WTLSFNNPRJLTSO-JOCHJYFZSA-N	317.370	1.891	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1cccnc1)[C@H]1C[C@H]2CC[C@H]1C2	245822089	MJMZZLYGSJZJFQ-PAPYEOQZSA-N	316.405	1.779	50	20	DDGD	
CCCOc1cn(-c2ccccc2)nc1C(=O)NNC(C)=O	264019247	IQVCACUCXCJMEW-UHFFFAOYSA-N	302.334	1.442	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)c1cnn(C)c1)SC	266597444	YXKYLKHKOARYEE-UHFFFAOYSA-N	313.427	1.286	50	20	DDGD	
O=C(NCCc1ccc([N+](=O)[O-])cc1)NNC(=O)C1CCC1	264709273	IRUYSKFAROJONE-UHFFFAOYSA-N	306.322	1.268	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)N[C@H]1CCSC1	267318864	DBYNUIQLYMEPIT-JTQLQIEISA-N	305.359	1.882	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)C2CCC2)cc1Cl	268870967	GDZCUBBIZLBYDV-UHFFFAOYSA-N	311.769	1.979	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cccc(N(C)C)c1)N(CC)CC	265466210	YPGUDNXIGPXMJN-OAHLLOKOSA-N	320.437	1.634	50	20	DDGD	
CC(C)[C@]1(C)C[C@@H]1C(=O)NNc1nc(O)c2cnn(C)c2n1	274982505	MIJPQHKXADNCJS-OTYXRUKQSA-N	304.354	1.194	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@@H](Br)C(C)(C)C	274357954	YUBUXRYTCZWHLT-SECBINFHSA-N	316.199	1.596	50	20	DDGD	
C[C@@H](CO)CCCNC(=O)NNC(=O)c1cccc(N(C)C)c1	270518425	MKJYUGSAPPCAIN-GFCCVEGCSA-N	322.409	1.105	50	20	DDGD	
C#C[C@H](C)NC(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1	274831160	RVRZWUZBXNSTMD-NSHDSACASA-N	319.361	1.448	50	20	DDGD	
CCn1c(NNC(=O)[C@](C)(CC)OC)nc2ccccc2c1=O	279972828	JYDKQPYDWGVPLC-INIZCTEOSA-N	318.377	1.675	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H](NC(=O)NNC(=O)C(C)(C)C)C2	271128491	LDYJYAPIEXLGBQ-NSHDSACASA-N	321.377	1.375	50	20	DDGD	
C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NNc1cc(Cl)ccn1	272325314	MJFZPVVFSHIPFC-JOYOIKCWSA-N	309.801	1.844	50	20	DDGD	
CC(C)[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2O)CCO1	271779947	JVPZKQBEZSMOCE-SMDDNHRTSA-N	321.377	1.540	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@H](Br)C(C)(C)C	274357957	YUBUXRYTCZWHLT-VIFPVBQESA-N	316.199	1.596	50	20	DDGD	
CCOCCOCc1cccc(NC(=O)NNC(=O)C2CC2)c1	273238370	SVNDNQLOTWXEGU-UHFFFAOYSA-N	321.377	1.802	50	20	DDGD	
O=C(NNC(=O)c1cccc(-n2ccnn2)c1)NC1CCCC1	270007846	ARDYVNUBUJVOSW-UHFFFAOYSA-N	314.349	1.154	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc(OCC(F)(F)F)cn1	278270107	ZUKVZILQNWFRMV-UHFFFAOYSA-N	320.271	1.375	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@@H]1CCCCS1(=O)=O	286921799	IMGLPYQYJKUOOL-NSHDSACASA-N	324.406	1.155	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@H]1CCCC(F)(F)C1	282674653	MZRGAELECJRFFF-VIFPVBQESA-N	301.293	1.936	50	20	DDGD	
O=C(NCC1CCOCC1)NNc1ccc2c(O)nccc2c1	287736472	ZNTMQIVQLYSBGE-UHFFFAOYSA-N	316.361	1.993	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2conc2C2CC2)c(O)c1	289684527	CSZHRJCXQLRDJQ-UHFFFAOYSA-N	301.302	1.641	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ncc(F)cc1F)N1CCCC1=O	296943583	MMMDZHUVGQTHEA-GFCCVEGCSA-N	312.320	1.450	50	20	DDGD	
Cc1ncsc1CCC(=O)NNC(=O)CNc1ccccc1	298025549	DTUGGXXYSXNZRM-UHFFFAOYSA-N	318.402	1.644	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H](C)c2ccc3c(c2)OCO3)O1	294123254	FUGLDSJXVNIMTE-KWBADKCTSA-N	320.345	1.234	50	20	DDGD	
CN1CCCc2cc(NC(=O)NNC(=O)[C@@H]3CCCO3)ccc21	292606285	LQADOPXAAFBFRG-AWEZNQCLSA-N	318.377	1.401	50	20	DDGD	
COc1ccnc(NNC(=O)NCCC2C[C@@H](C)O[C@H](C)C2)n1	802511488	XPPXNCGLOOGNIX-GHMZBOCLSA-N	323.397	1.705	50	20	DDGD	
CC[C@@H](c1ccccc1OC)N(C)CC(=O)NNC(=O)C1CC1	805836607	UNGMJGASTWGQJQ-AWEZNQCLSA-N	319.405	1.636	50	20	DDGD	
CCCOCC(=O)NNC(=O)COc1ccccc1OCC	299243218	OGXUQQFYKBFBEO-UHFFFAOYSA-N	310.350	1.038	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)c1ccc[nH]1)Cc1ccccc1	298157916	PPHDPGLJODBHEB-ZDUSSCGKSA-N	316.361	1.216	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=O)COc2ccccc2F)o1	292420439	ZUGPFVKOERLBNQ-UHFFFAOYSA-N	321.308	1.525	50	20	DDGD	
Cc1ncoc1C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802122989	GPIOMANOXSZYCH-UHFFFAOYSA-N	303.322	1.516	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C2CC(C)(C)C2)c1	806365789	YOXFOCWGFYWFAA-UHFFFAOYSA-N	305.378	1.691	50	20	DDGD	
Cc1cc(F)ccc1S(=O)(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	295251779	WSZMBTRFRJIEKV-ONGXEEELSA-N	316.354	1.011	50	20	DDGD	
CN(CCC(=O)NNC(=O)N=c1cc[nH]cc1)C1CCCCC1	802028262	QKPYSVWRYMRDMM-UHFFFAOYSA-N	319.409	1.311	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H]1CSC[C@@H]1C	805097727	VYGJBZTUVWDRTC-GXSJLCMTSA-N	309.391	1.391	50	20	DDGD	
CN(C)Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)cc1	295338123	HSRUOHGEYZEYLG-AWEZNQCLSA-N	305.378	1.078	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(OC(C)(C)C)cn1	293166561	XTKGMISGLMBMPL-UHFFFAOYSA-N	324.381	1.239	50	20	DDGD	
O=C(NNc1cccc(F)n1)C(=O)Nc1ccc(F)c(F)c1	807393101	WZPRVGPXQSXUEL-UHFFFAOYSA-N	310.235	1.581	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H](O)CCSC	294410253	DMANGUHKMRVNDA-SECBINFHSA-N	301.320	1.623	50	20	DDGD	
CCN(CCOCCO)C(=O)[C@@H](Br)C(C)(C)C	800604330	MBDJBPYOMRCAAM-SNVBAGLBSA-N	310.232	1.653	50	20	DDGD	
C[C@](O)(CCc1ccccc1)C(=O)NNC(=O)[C@H]1CCCCO1	295562508	AAUVZFYQSZZJPW-PBHICJAKSA-N	320.389	1.087	50	20	DDGD	
C[C@H]1CSC[C@H]1NC(=O)NNc1ccc(-n2cccn2)nn1	807476014	VOAMKGCPYNSQBT-VHSXEESVSA-N	319.394	1.040	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=C(C[C@@H]1CCOC1)c1ccccc1	814955524	KWRLUQMRMVGICZ-ZDUSSCGKSA-N	312.373	1.899	50	20	DDGD	
Cc1nn(C)c(N)c1C=NNC(=O)[C@H](C)CN1CCCCCC1	814766371	IKGKRCALNHPNEB-GFCCVEGCSA-N	320.441	1.273	50	20	DDGD	
C=CCC(F)(F)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	814726503	CNAGIDOKHVSVQR-UHFFFAOYSA-N	314.288	1.676	50	20	DDGD	
COc1ccc(S[C@@H](C)C(=O)NNc2cnnn2C)cc1	816771667	VWDUDNNFXRBIMZ-VIFPVBQESA-N	307.379	1.448	50	20	DDGD	
COCCOc1ccc(C=NNC(=O)N=c2cc[nH]cc2)cc1	815000366	JYECBBFPJQINES-UHFFFAOYSA-N	314.345	1.684	50	20	DDGD	
Cc1nn(C)c(N)c1C=NNC(=O)COc1ccc(Cl)cc1	814723204	LUDLFUSOCPOFCD-UHFFFAOYSA-N	321.768	1.493	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](N)CC2CCCCC2)n1	817943721	RCYLWUXVMVSQIZ-LBPRGKRZSA-N	307.398	1.534	50	20	DDGD	
O=C(NN=Cc1conc1Cc1ccccc1)c1cnccn1	814793754	MOHIPKBPYDNEJK-UHFFFAOYSA-N	307.313	1.819	50	20	DDGD	
CN(C)CCc1ccc(C(=O)NNC(=O)c2ccccn2)cc1	816808137	DGSKWCBPDAUZEQ-UHFFFAOYSA-N	312.373	1.261	50	20	DDGD	
Cn1ncc(C(=O)NCCCSC#N)c1Br	816538534	UXBGLRWBHOOEER-UHFFFAOYSA-N	303.185	1.517	50	20	DDGD	
O=C(O)CSCC(=O)NNc1ccc(OC(F)(F)F)cc1	819539674	HODGDGYKGBRZKQ-UHFFFAOYSA-N	324.280	1.846	50	20	DDGD	
CC(=NNC(=O)N=c1cc[nH]cc1)c1cccc(-n2cnnn2)c1	815003834	MDCYKVHCJTUYBG-UHFFFAOYSA-N	322.332	1.025	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CSC(F)F)cc1OC	726716727	GFBJSKIOXSOFNM-UHFFFAOYSA-N	320.317	1.421	50	20	DDGD	
COC(=O)[C@H](C)Oc1ccc(C=NNC(=O)CC2CC2)cc1	814990597	VSUVCSVREOELCU-NSHDSACASA-N	304.346	1.877	50	20	DDGD	
COc1nc(C)cc(C)c1CNC(=O)NNc1ncncc1F	814295094	TWOUPQWOWDQGAC-UHFFFAOYSA-N	320.328	1.462	50	20	DDGD	
O=C(NCc1ccc(C(=O)O)cc1)NNc1ccc(F)cn1	819194892	QHVZCWDQJWFTRW-UHFFFAOYSA-N	304.281	1.745	50	20	DDGD	
NC(=O)c1cccc(CCNC(=O)NNc2ccc(F)cc2)c1	726719555	SZGKTWORFUPYTO-UHFFFAOYSA-N	316.336	1.793	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)COC(C)(C)C)o1	824359602	XXHKVRKETZDFCG-UHFFFAOYSA-N	323.357	1.236	50	20	DDGD	
COC(=O)N1CCC(=NNC(=O)CCN2CCCCCC2)CC1	490654659	BUFKAVURKQPQNJ-UHFFFAOYSA-N	324.425	1.587	50	20	DDGD	
O=C(CCCc1nn[nH]n1)NNc1cccc(C(F)(F)F)c1	821144773	YDEOXKUPXAFWIP-UHFFFAOYSA-N	314.271	1.685	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1	490976993	SBPIGZWPFGLIKI-OBEJXRGXSA-N	315.373	1.636	50	20	DDGD	
CCOC(=O)NNC(=O)c1cn(-c2ccccc2Cl)nn1	490869737	TXWBYCSZVKLUGF-UHFFFAOYSA-N	309.713	1.312	50	20	DDGD	
C[C@H](CCO)C1(CNC(=O)/C(C#N)=C/c2cnn(C)c2)CCC1	491103905	MDEBZATVVQROEQ-MGMWDDNKSA-N	316.405	1.632	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)C[C@H]1COC(=O)C1	822727492	CDYTYLKBFJFGCV-MRVPVSSYSA-N	310.281	1.009	50	20	DDGD	
C[C@H]1SCCC1=NNC(=O)NCCNC(=O)OC(C)(C)C	495651683	MWWMDUMKITUYTJ-SECBINFHSA-N	316.427	1.692	50	20	DDGD	
CCOc1cc(C=NNC(=O)CN(C)C)cc(Cl)c1OC	727650273	YGIKVKIVXOBHFH-UHFFFAOYSA-N	313.785	1.759	50	20	DDGD	
COCC[C@@H](C=NNC(=O)c1ccc[nH]1)NC(=O)OC(C)(C)C	496210407	YXZIQWSSCHWGFT-NSHDSACASA-N	324.381	1.660	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(CCc1cccc(F)c1)C1CC1	827821445	NUBUJHJZRWTXIR-UHFFFAOYSA-N	321.396	1.636	50	20	DDGD	
COC(=O)N(C)c1ccc(NC(=O)NN=c2cc[nH]cc2)cc1	495526650	XWFDMNMCTWEOON-UHFFFAOYSA-N	315.333	1.855	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C)CCCOc1ccccc1	827337933	ZBOAOLPSCMYAKU-UHFFFAOYSA-N	307.394	1.191	50	20	DDGD	
CCCN(CC)C[C@@H](C)NC(=O)/C(C#N)=C\c1cnn(C)c1	491176979	SWCJJZDQXVRNAN-ATDKOCKZSA-N	303.410	1.564	50	20	DDGD	
CC[C@H](NC(=O)c1ccc(B(O)O)cc1)c1nc(C)cs1	584941685	NOIGFUQHZGTVRB-LBPRGKRZSA-N	304.180	1.012	50	20	DDGD	
CCO[C@@H]1CCCC(=NNC(=O)CNC(=O)c2ccco2)C1	905444589	IQGAYTJSYKXEMS-GFCCVEGCSA-N	307.350	1.461	50	20	DDGD	
COC(=O)NNC(=O)Nc1cccc([C@@H](C)N2CCOCC2)c1	491224297	CPKYLVQHYVIUGW-LLVKDONJSA-N	322.365	1.472	50	20	DDGD	
CC(C)[C@@H]1C[C@H](C(=O)NNC(=S)N[C@@H](C)C2CC2)CCO1	824445931	DEHSSXKYPQRTCH-UHTWSYAYSA-N	313.467	1.731	50	20	DDGD	
CCS[C@H]1CCCC[C@@H]1NCc1ccc(B(O)O)cc1F	585026286	KOCKVUSSWOGNCP-GJZGRUSLSA-N	311.231	1.659	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CN1CSCCSC1	908223668	NQRFGVSUMGFPRJ-UHFFFAOYSA-N	303.280	1.946	50	20	DDGD	
CC[C@H](C)[C@@H](C=NNC(=O)CNC(=O)OC(C)(C)C)OC	496732120	WMDCYCFPKFNBPH-WDEREUQCSA-N	301.387	1.674	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@@H](C)CC(=O)O)c1	832935159	ADVSXQUMUFWPDU-QMMMGPOBSA-N	313.354	1.563	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H](O)CN(/C(=C\C#N)c2ccc(F)cc2)C1	830872014	QYIKVRQCWWFIGU-CRKUFTQASA-N	304.321	1.546	50	20	DDGD	
C[C@@H](Cc1cccc(O)c1)NC(=O)NNC(=O)[C@H]1CCCCO1	837811065	GPZDSDIBNVVXQM-SMDDNHRTSA-N	321.377	1.223	50	20	DDGD	
CC(C)(C)N1C[C@H](C(=O)NNc2ccccc2C(=O)O)CC1=O	833431690	UUXUKBBUAAUNCY-SNVBAGLBSA-N	319.361	1.475	50	20	DDGD	
CO[C@@H](C)CCNC(=O)NNc1cccc(Br)n1	838184385	AOTZHIHQQHFOAE-QMMMGPOBSA-N	317.187	1.895	50	20	DDGD	
CCn1nc(C2CC2)cc1C(=O)NNC(=O)c1cccc(C#N)c1	906566661	RMEZVVHRWYAITK-UHFFFAOYSA-N	323.356	1.727	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CC[C@H](c3cccc(F)c3)C2)o1	585038987	LVOFPBUCHLPCBV-GXTWGEPZSA-N	303.142	1.524	50	20	DDGD	
O=C(CC1CCN(S(=O)(=O)CCl)CC1)NC1CCCC1	830184788	NWHWINHCIWTLMB-UHFFFAOYSA-N	322.858	1.673	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C[C@H]1CCOC1	739469948	FBKUBNCRICHFAC-GFCCVEGCSA-N	322.361	1.038	50	20	DDGD	
CC[C@@H](CC(F)(F)F)C(=O)NNC(=O)N=c1cc[nH]cc1	831937110	MEZJHUUFFXEPIA-QMMMGPOBSA-N	304.272	1.635	50	20	DDGD	
CCC(C)(C)NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1cnn(C)c1	837969405	NKVBPGZIDBNGRP-ZTFCMROMSA-N	318.377	1.564	50	20	DDGD	
CNC(=O)C[C@H](C)NC(=O)NNc1c(F)cccc1Cl	838699014	ZAXVHTHQQKWXHL-ZETCQYMHSA-N	302.737	1.630	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@@H]1CC[C@H]2CCCCN12	900637439	DUYMOXUTNHZULP-HIFRSBDPSA-N	319.380	1.533	50	20	DDGD	
COc1cc(OC)cc(OCCNS(=O)(=O)CCl)c1	830876827	AROUSJLJZHLDME-UHFFFAOYSA-N	309.771	1.198	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)Nc1cccnc1	732235406	URHQBYVZCPFXOS-UHFFFAOYSA-N	306.347	1.634	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OC[C@@H]1CCNC(=O)CC1	837562849	SBBKAPUPOGJSFM-FYQHACEVSA-N	314.341	1.759	50	20	DDGD	
COCC1(C(=O)NNc2nc(O)c3ccccc3n2)CCCC1	839700203	CXTKHGPYFNQCEN-UHFFFAOYSA-N	316.361	1.985	50	20	DDGD	
CN(C)[C@H](C(=O)NNc1ncccn1)c1cccc(Cl)c1	731868547	JDWGRIVGBQBYDJ-LBPRGKRZSA-N	305.769	1.876	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N2C[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2)c1	836276900	RJICIBHZKNDYKK-SDADXPQNSA-N	324.384	1.891	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2(C(=O)OC)CC2)c1F	837060909	IQMZSEDTONNZFN-UHFFFAOYSA-N	310.281	1.009	50	20	DDGD	
OB(O)c1cccc(CNCCOCc2cccc(Cl)c2)c1	585032092	PMUKBDZZAXPQEO-UHFFFAOYSA-N	319.597	1.326	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)COc2ccc(C#N)cc2)c2nccn21	834921459	FTQMWBMXAJCGTN-LLVKDONJSA-N	309.329	1.619	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H](O)CN(CCO[Si](C)(C)C(C)(C)C)C1	830864966	IISAAENRWKTQSD-CHWSQXEVSA-N	317.502	1.864	50	20	DDGD	
CC1CCN([C@@H](CNC(=O)NNC(=O)C2CCC2)C(C)C)CC1	732238586	ILQFQAIIGLYIEZ-HNNXBMFYSA-N	324.469	1.873	50	20	DDGD	
CC(C)(C)CC(=O)NCC(=O)NNc1ccccc1C(=O)O	833422835	NYDJAIBXDREKIA-UHFFFAOYSA-N	307.350	1.380	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@]2(C)C[C@@H]2Br)c1	912978886	XIGBFIVJNAJERZ-GZMMTYOYSA-N	317.208	1.991	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)c2c[nH]cc2C)cc1OC	916733655	CGPMYAATOWTGJP-UHFFFAOYSA-N	317.345	1.805	50	20	DDGD	
CSc1cccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	831047583	STVQGSRZPLFJKR-SKDRFNHKSA-N	309.391	1.986	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNc1cccc(C(=O)OC)c1	839721690	NQYPSJQHNDSSEM-GFCCVEGCSA-N	308.334	1.506	50	20	DDGD	
COc1cccc(COCC(=O)NNC(=O)c2ccc[nH]2)c1	915619544	GSHKHKCMFURXRQ-UHFFFAOYSA-N	303.318	1.001	50	20	DDGD	
CC(C)Oc1ccccc1CC(=O)NNC(=O)c1cccnc1	748697183	RIKKXLJFQRISCT-UHFFFAOYSA-N	313.357	1.873	50	20	DDGD	
Cc1[nH]c2ccccc2c1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843978221	WKHSXGCPRRNXPZ-WDEREUQCSA-N	301.346	1.662	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)Cn1nc(C)cc1C)[C@@H]1CC1(C)C	842188938	AABFDDGTLMJQFK-STQMWFEESA-N	321.425	1.655	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(Cl)c(Cl)[nH]1	843973853	MCVXYEGXVVWHGV-RITPCOANSA-N	306.149	1.508	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@H]1CCN(CC(F)F)C1	842198062	JSYFPBCBKVRTTM-ZETCQYMHSA-N	320.731	1.096	50	20	DDGD	
C[C@H](CN)NC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	841969077	GXHGJRJBTBCWAK-GYPVXTSCSA-N	308.426	1.271	50	20	DDGD	
COc1ccccc1[C@@H](C)CC(=O)NNC(=O)c1ncccn1	841353919	HSJFSPDZQSOPAZ-NSHDSACASA-N	314.345	1.440	50	20	DDGD	
CN(C)[C@H](C(=O)NNC(=O)CC(F)(F)F)c1ccccc1	744326240	GLRJWOPVSKSUHI-NSHDSACASA-N	303.284	1.389	50	20	DDGD	
CO[C@@H](CC(=O)NNC(=O)CNc1ccccc1)C(F)(F)F	846629209	ZMSLQPRHYHJLGI-JTQLQIEISA-N	319.283	1.213	50	20	DDGD	
O=C(CCn1cccc1)NNC(=O)c1cccc(OC(F)F)c1	746215363	NLHALFNAIIIEPM-UHFFFAOYSA-N	323.299	1.941	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)[C@H]1CCCS1(=O)=O	847601219	MDOPFGUSPLLFIG-SECBINFHSA-N	308.281	1.124	50	20	DDGD	
N#Cc1ccc(CC(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1	749838614	QZCFBSABKHYBEX-UHFFFAOYSA-N	323.308	1.291	50	20	DDGD	
C[C@H](C(=O)NNc1cc(F)c(F)c(F)c1)N1C(=O)CCC1=O	748810470	ARRANLXJUKUOBN-ZCFIWIBFSA-N	315.251	1.085	50	20	DDGD	
CCc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843653801	FXKNTFQHYKIMQU-DLKVLKDVSA-N	316.401	1.925	50	20	DDGD	
CCn1ccc(C(=O)NNc2ccc(C(F)(F)F)nn2)n1	843838322	BKCQSUFRQFJNOV-UHFFFAOYSA-N	300.244	1.469	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNC(=O)COc1ccc(C)cc1	841376884	ZCVNDBPFUDBOIG-AWEZNQCLSA-N	308.378	1.582	50	20	DDGD	
O=C1[C@@H](NS(=O)(=O)CCCCCl)C[C@@H]2CCCCN12	841532624	VIYCQZBLUGHJCS-QWRGUYRKSA-N	308.831	1.078	50	20	DDGD	
CC(C)[C@H](N)CNC(=O)NNC(=O)c1c[nH]c2ccccc12	841943038	GFAJVKWWNUEOTF-GFCCVEGCSA-N	303.366	1.095	50	20	DDGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1cccc[n+]1[O-]	754470717	ZJLWVSJLRMTWOW-UHFFFAOYSA-N	307.313	1.534	50	20	DDGD	
CCc1c(C(=O)NNC(=O)NC(C)C)cnn1CCC(C)C	756821471	ZIDVACONVPVVIQ-UHFFFAOYSA-N	309.414	1.844	50	20	DDGD	
CC(CN1C(=O)CCC1=O)=NNC(=O)c1cc2ccccc2o1	754949881	NBPCTWFKWTURED-UHFFFAOYSA-N	313.313	1.688	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccc2cccnn12	855089390	PKNXVCAPGAYWGY-UHFFFAOYSA-N	303.391	1.243	50	20	DDGD	
O=S(=O)(CBr)N1CCC([C@H]2CCCN2)CC1	850587319	WKGVCNHVKLPLJS-SNVBAGLBSA-N	311.245	1.133	50	20	DDGD	
C[C@H]1CN(C(=O)NC[C@@]2(C)C[C@H]2Br)C[C@@H](C)N1C	856897957	USZNOXMAYHYKMC-LSCVPOLPSA-N	318.259	1.894	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccn(CCc2ccccc2)n1	854919987	CJZBBDYCEVEYPN-UHFFFAOYSA-N	317.418	1.207	50	20	DDGD	
Cc1cccn2cc(CC(=O)NNC(=O)c3ccccc3)nc12	750601288	RRDGNEZXMIVCNA-UHFFFAOYSA-N	308.341	1.646	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cc2cccnc2[nH]1)C1CC1	855095665	OFKNRXWSJIUVSY-QMMMGPOBSA-N	303.391	1.470	50	20	DDGD	
CC(=NNC(=O)c1nnc(-c2ccccc2)o1)c1cn(C)nc1C	920384719	BIELCXBHIPQHLP-UHFFFAOYSA-N	324.344	1.933	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CCc2c(OC)cccc21	759666863	QFKQAGZAJSCMHF-UHFFFAOYSA-N	317.389	1.767	50	20	DDGD	
CCC(=NNC(=O)NCCCOC)c1ccc2c(c1)OCCO2	920831363	GHAVCVGGRIAOKV-UHFFFAOYSA-N	321.377	1.908	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1coc(-c2ccccc2)n1	755610888	LAKIQURNMVSJLA-UHFFFAOYSA-N	300.318	1.316	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@H]1CCCN1S(C)(=O)=O	855365404	KYJGKWWHKMPKOC-GFCCVEGCSA-N	315.370	1.001	50	20	DDGD	
CC(C)Cc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1	755262642	MOAVBQFEDINWEG-UHFFFAOYSA-N	300.362	1.612	50	20	DDGD	
CCCCOCCCNC(=O)NNc1ncc(Cl)cn1	856829280	IBAHYWUSTBLHRM-UHFFFAOYSA-N	301.778	1.963	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CC(C)(C)C)n1nnnc1C(C)(C)C	758016260	LKEBPJNNLDJDHD-SECBINFHSA-N	310.402	1.115	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)OCC(F)(F)F)c(O)c1	856020286	AVBDYZLLFKLUFE-UHFFFAOYSA-N	306.240	1.888	50	20	DDGD	
CC(C)CO[C@H]1CCN(C(=O)NNC(=O)c2cccc(F)n2)C1	852709493	WPYMEKKAMSFDPV-NSHDSACASA-N	324.356	1.322	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1cncc2ccccc12	920855956	SLLPXYTYYBYAHE-UHFFFAOYSA-N	310.313	1.972	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cc3c(cc2O)OCO3)n1	920365939	CGXSJVHVLJVHGX-UHFFFAOYSA-N	316.317	1.085	50	20	DDGD	
Cc1c(NNC(=O)NC2COC(C)(C)OC2)cccc1[N+](=O)[O-]	758727158	GKDRHDLASDMCJC-UHFFFAOYSA-N	324.337	1.681	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)C(C)(C)C)c1ccn(C)n1	853408296	PSHAESKQKXKQKM-UHFFFAOYSA-N	307.398	1.203	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)c1ccnc(N2CCCC2)n1	855465548	SDCWBAZQJYEACY-UHFFFAOYSA-N	318.768	1.882	50	20	DDGD	
O=C(NNc1ccc(F)cc1)c1cncc(N2CCOCC2)c1	756909448	VWLCNJMWZVWVGR-UHFFFAOYSA-N	316.336	1.814	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CCCN2C(=O)C2CC2)cc1F	856232416	SRDUFUZBERMMST-AWEZNQCLSA-N	305.353	1.978	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc(N)c(OC(F)(F)F)c1	854214252	HQWKMAQPMGRLCF-UHFFFAOYSA-N	305.256	1.584	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccn(-c2ncccc2F)n1	757783230	UYXXBHSIFGQULW-UHFFFAOYSA-N	320.328	1.605	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@]1(C2CCCC2)CCNC1=O	858110837	KGYRVZLDHOFDON-HNNXBMFYSA-N	311.382	1.239	50	20	DDGD	
Cc1csc(C=NNC(=O)[C@H]2COc3ccccc3O2)n1	755483889	JQSIBFKKMKEZBT-GFCCVEGCSA-N	303.343	1.742	50	20	DDGD	
O=C(NNC(=O)c1ccnc(Br)c1)c1ccccc1	757611844	AEMRBFYEPSSKFI-UHFFFAOYSA-N	320.146	1.919	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(N2CCC(C)CC2)nc1	854925886	OVRVNXFFPACXTA-UHFFFAOYSA-N	321.450	1.399	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cnn([C@H](C)C2CC2)c1	930974612	ACAQEODMRRKTSW-LLVKDONJSA-N	303.366	1.810	50	20	DDGD	
CN(NC(=O)NC1CCN([C@H]2CCOC2)CC1)c1ccccc1	852635066	DDFKRVQZOGPEHV-INIZCTEOSA-N	318.421	1.590	50	20	DDGD	
CCCNC(=O)NN=Cc1ccc(O[C@H](C)C(=O)OC)cc1	758375373	RXRJAAJSATWDDY-LLVKDONJSA-N	307.350	1.670	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNc1ccc(C)c(C(=O)OC)c1	857268050	VNFDKALGTTWLSI-JTQLQIEISA-N	307.350	1.139	50	20	DDGD	
COc1cccc([C@H](O)C(=O)NNC(=S)NCC2CCC2)c1	855090572	IDDJSJAOYCGKOR-ZDUSSCGKSA-N	323.418	1.024	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CCc2cc(F)ccc2F)n[nH]1	869012016	CHXPKXPZKNEEGX-UHFFFAOYSA-N	322.315	1.319	50	20	DDGD	
COc1cccnc1CC(=O)NNCC(F)(F)C(F)(F)F	863100176	QIJHEWLHFFYITQ-UHFFFAOYSA-N	313.226	1.451	50	20	DDGD	
COCCOc1ccc(NC(=O)NN=c2cc[nH]c(C)c2)cn1	860452274	VEZLTEMYDFLNAM-UHFFFAOYSA-N	317.349	1.381	50	20	DDGD	
CN(C)c1ccc(NCc2ccccc2B(O)O)cc1Cl	864026022	UTJHCOFVFGYULU-UHFFFAOYSA-N	304.586	1.698	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cc(O)cc(Br)c1	861841849	XQZQMRDZBJQDQX-UHFFFAOYSA-N	313.151	1.716	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1cc(-n2cccn2)ccn1	768503165	IKULDUWYHNNGRT-UHFFFAOYSA-N	319.328	1.901	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)N[C@@H](C)c2ccccc2)n[nH]1	764498686	YNBRXZRTHFTWRJ-JTQLQIEISA-N	303.391	1.588	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C1CCN2CCC[C@@H]12	765555245	IVJXBJHXWIVRML-ZDUSSCGKSA-N	303.362	1.414	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@]23CCC[C@@H]2C3)cc1	936036418	PPMXXFWNSZCJNV-CXAGYDPISA-N	302.374	1.965	50	20	DDGD	
Cn1cc(-c2cccc(C(=O)NNc3ncc(F)cn3)c2)cn1	760927556	IGIOGDDNTSMQGP-UHFFFAOYSA-N	312.308	1.773	50	20	DDGD	
COc1ccc(C(=O)NN[C@H](C)C(F)(F)F)cc1[N+](=O)[O-]	862303371	PYCNIKUFGQJBRQ-ZCFIWIBFSA-N	307.228	1.789	50	20	DDGD	
COc1nccnc1NNC(=O)Cc1c[nH]c2cc(C)ccc12	764483963	KPSIVYYPCAYQOE-UHFFFAOYSA-N	311.345	1.961	50	20	DDGD	
CN(C)CC(=O)NNC(=O)NC1(C(F)(F)F)CCCCC1	933425537	GRXJZBQMXYNRPK-UHFFFAOYSA-N	310.320	1.144	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)CCc1ncccn1	862288456	MBVRFOCSPZEZRR-UHFFFAOYSA-N	314.345	1.709	50	20	DDGD	
CCNC(=O)N(C)N=C(C)c1cnn(-c2ccccn2)c1C	769594090	XDZMYPPXTBIKGE-UHFFFAOYSA-N	300.366	1.961	50	20	DDGD	
CN(CC(=O)NNc1ncc(Br)cn1)C1CCC1	863930701	OHUULPFJRLQDCM-UHFFFAOYSA-N	314.187	1.167	50	20	DDGD	
Cc1cccc(OCCNC(=O)NN=c2cc[nH]c(C)c2)c1	863494330	ALYDYFOSKPXIMD-UHFFFAOYSA-N	300.362	1.825	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cccc(N(C)C)c1)c1ccc[nH]1	760352981	BTGKGGDKVQOUTJ-LLVKDONJSA-N	315.377	1.786	50	20	DDGD	
C[C@H]1CC(=NNC(=O)CNC(=O)c2cccnc2)CC[C@H]1C	767384677	IHNQHUIWZRFSCK-NEPJUHHUSA-N	302.378	1.740	50	20	DDGD	
Cc1ncc([C@H](C)NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)s1	868735842	KBOYBCFARIYNLA-XKSSXDPKSA-N	312.395	1.268	50	20	DDGD	
CCCOc1cccnc1C(=O)NNC(=O)c1ccc(C#N)cc1	760213516	RBGGPQSKRRFEEF-UHFFFAOYSA-N	324.340	1.817	50	20	DDGD	
CCCNC(=O)NNC(=O)c1c(-c2ccccn2)noc1C	765276536	KMECWDJNWNZTKI-UHFFFAOYSA-N	303.322	1.399	50	20	DDGD	
O=c1ccc2ccc(OS(=O)(=O)CBr)cc2o1	769935648	SRNVEAOYVDONBO-UHFFFAOYSA-N	319.132	1.854	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	764049341	YKLFFAPWETUICG-CKYFFXLPSA-N	322.386	1.199	50	20	DDGD	
O=C(C[C@@H]1CCCO1)NNC(=O)c1nc2ccccc2s1	874913624	PJKVQCPLZYIRIX-VIFPVBQESA-N	305.359	1.626	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)NC2CC2)c1Cc1ccccc1	772146229	OUQGEUJERQBQQK-UHFFFAOYSA-N	313.361	1.117	50	20	DDGD	
COCCN(CC(=O)NNC(=O)c1cccs1)CC(C)C	777557014	ABAXGKQYVTYHLZ-UHFFFAOYSA-N	313.423	1.114	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cn1cnc2ccccc21)c1ccccc1	771868192	PUPOJYGFHVMXDC-CYBMUJFWSA-N	322.368	1.987	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2nncn2C)cc1	770827889	ZNMOFAPPTSZCNZ-JYRVWZFOSA-N	312.329	1.864	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@H](c2ccnn2C)C(C)C)cc[nH]1	875525636	BQEDAMWTDCCEMN-AWEZNQCLSA-N	316.409	1.611	50	20	DDGD	
CN1CCC(C(=O)NNC(=O)c2nc3ccccc3s2)CC1	874913199	HSBCBZYUFGHAAK-UHFFFAOYSA-N	318.402	1.399	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCC1CC=CC1	875798508	LWPWOPBMPCAXHE-LLVKDONJSA-N	321.352	1.890	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H]2CCCCO2)c(F)c1	880320440	HOMSAIIMFBZYJK-GFCCVEGCSA-N	311.313	1.556	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H]1C[C@]12C(=O)Nc1ccccc12	1120008524	TWTBPVJTAQFAPK-QLJPJBMISA-N	301.346	1.090	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CC[C@H](n2cncn2)C1	777398753	JIZLRWDNUMZWLK-QLBUUCPGSA-N	311.320	1.798	50	20	DDGD	
C[C@H]1C[C@@H](CNC(=O)NNC(=O)CCc2ccccc2)CCO1	770825135	ACESTUVCBAVVNM-ZFWWWQNUSA-N	319.405	1.765	50	20	DDGD	
C[C@H](C(=O)OC[C@]1(C)C[C@H]1Br)n1cnc(C#N)n1	1123140269	AWLCHYTWOALSMS-XLDPMVHQSA-N	313.155	1.427	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=O)C2CCOCC2)c1C1CC1	883067808	WYAYEKBKVYFSOJ-UHFFFAOYSA-N	320.393	1.358	50	20	DDGD	
COCC(=O)N[C@H](C(=O)NNc1ccc(F)c(F)c1)C(C)C	885113322	WYHAZLWQVCHWFC-ZDUSSCGKSA-N	315.320	1.195	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)COc2ccccc2F)co1	771869706	WEUATPQTIKSOSF-UHFFFAOYSA-N	307.281	1.216	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NN=c2sc3ccccc3n2C)CCO1	776284729	CJDQMFQUPJQTQP-QWRGUYRKSA-N	305.403	1.987	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1F	777868700	ASOCEAXQPPXHGJ-YRNVUSSQSA-N	307.281	1.794	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)/C=C/c1ccsc1	771900939	KULSFFQWPDGLGJ-ZWNMCFTASA-N	324.402	1.887	50	20	DDGD	
Cn1nc(C2CC2)nc1CC(=O)NNc1ccc(F)c(F)c1	885114001	PSBQVRXOLXWMBX-UHFFFAOYSA-N	307.304	1.657	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(OC)c(OC)c1OC	887139522	SHHLLDZDWLYETN-UHFFFAOYSA-N	320.345	1.277	50	20	DDGD	
O=S(=O)(CCCCl)NCCOc1ccc2c(c1)OCO2	881792542	COIDFLMIEFAHDN-UHFFFAOYSA-N	321.782	1.342	50	20	DDGD	
O=C(CCCN1C(=O)CCC1=O)NNc1cc(F)ccc1F	885144593	GIMDVXUPTBHXOW-UHFFFAOYSA-N	311.288	1.337	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)[C@H]1CCCN1C1CC1	787288470	MLDSZCCMMRPTSO-GFCCVEGCSA-N	314.349	1.202	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)C[C@@H]2COc3ccccc3O2)CC1	882050548	COYHLIPCZNFDIR-ZDUSSCGKSA-N	320.370	1.312	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(F)c2cccnc12	1120750865	QWDUFTWMZKHHRB-VHSXEESVSA-N	317.320	1.560	50	20	DDGD	
O=C(CN1CCCCCCC1=O)NNc1ncncc1Cl	781831730	OTGRPPACDWKQNB-UHFFFAOYSA-N	311.773	1.366	50	20	DDGD	
O=C(CCn1ccnc1)NNC(=O)NCc1ccc(Cl)cc1	787423359	LCCDCELSPODZRP-UHFFFAOYSA-N	321.768	1.457	50	20	DDGD	
Cn1ccnc1CCNC(=O)[C@H](Br)C(C)(C)C	1123923001	XREDUJAOWGEOBO-JTQLQIEISA-N	302.216	1.888	50	20	DDGD	
COc1cccc(NNC(=O)c2c[nH]nc2-c2cccnc2)n1	780768333	NEMLVVMOOCAXCQ-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc(-c2cnc[nH]2)cc1	899236595	UOIQGODDERMSEV-UHFFFAOYSA-N	314.345	1.264	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cnn(C)c1C(F)(F)F	785865484	ZAJFTYLXGLVVNP-UHFFFAOYSA-N	308.264	1.137	50	20	DDGD	
CC(=O)N[C@]1(c2nc(C)no2)CCN(C[C@H]2[C@@H](Cl)[C@@H]2C)C1	895029259	MWUHCZTXMCLWKA-PKINLEFWSA-N	312.801	1.288	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CC[C@@](F)(C#N)C2)cc(C#N)n1C	787377262	KCQGKOXQKWSFKE-ZUFYJRLNSA-N	311.320	1.576	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccn(-c2cc(F)cc(F)c2)n1	897860447	KOPJICVCZAAMGV-UHFFFAOYSA-N	320.299	1.712	50	20	DDGD	
COC1(CNC(=O)NNC(=O)c2cc3c(s2)CCC3)CCC1	780041217	AALXYTRAOWSCTF-UHFFFAOYSA-N	323.418	1.750	50	20	DDGD	
Cc1ncc2n1C[C@H](C(=O)NNC(=S)NC(C)(C)C)CC2	899996966	AGRFYWWIBWBUMX-SNVBAGLBSA-N	309.439	1.048	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCCc2c(OC)cccc21	799481659	FSQBSBYKZMVMBN-GFCCVEGCSA-N	320.389	1.903	50	20	DDGD	
COc1cc2c(cc1/C=C(/C#N)S(=O)(=O)N(C)C)O[C@H](C)C2	794957852	IHZQMDOHKZSFSW-YRVKEHPISA-N	322.386	1.774	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)COc1ccc(C)c(C)c1	794863209	GIRYXXYAAIUOTA-MRXNPFEDSA-N	308.378	1.645	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NCC2(C#N)CC2)cc1	797580635	BCZQMFFCDLWADU-UHFFFAOYSA-N	316.361	1.262	50	20	DDGD	
CCCc1nc(C)c(C(=O)O[C@@H](C)C(=O)NNC(=O)CC)o1	796562587	CMYZQTZDNGKELF-VIFPVBQESA-N	311.338	1.038	50	20	DDGD	
Cc1ccc2c(c1)CCN(C(=O)NNC(=O)Cc1cccnc1)C2	791019325	GYYCCYDGGMADFZ-UHFFFAOYSA-N	324.384	1.732	50	20	DDGD	
Cc1nccn1CCNC(=O)NNc1ccc(C(C)(C)C)nn1	1318694294	KVDIPYDNKYQNPH-UHFFFAOYSA-N	317.397	1.605	50	20	DDGD	
COc1ccc(COCC(=O)NNC(=S)NC(C)C)cc1	1317905021	IRIUXGSHTWKPMQ-UHFFFAOYSA-N	311.407	1.116	50	20	DDGD	
CSc1ccc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)o1	1318438346	AFACPQSJZRFJRR-UHFFFAOYSA-N	320.374	1.678	50	20	DDGD	
Nc1cnnc(NNC(=O)NCC(C2CC2)C2CC2)c1Cl	1319310296	OHXSNYMPGLCXGG-UHFFFAOYSA-N	310.789	1.775	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1sc(-c2cccnc2)nc1C	1319345446	BTGNFSRTLONPFW-UHFFFAOYSA-N	318.358	1.527	50	20	DDGD	
CN(NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1)c1ccccc1	1322549527	ANVFEFBLRQOWGG-ZDUSSCGKSA-N	314.393	1.349	50	20	DDGD	
CC(=NNC(=O)CCN1CCC(C)CC1)c1ccc(C(=O)O)o1	1320850886	WVVAKKRCVLQWIQ-UHFFFAOYSA-N	321.377	1.940	50	20	DDGD	
COCc1nocc1C(=O)NNC(=O)c1ccc(Cl)cc1	1324730894	WNTFZFNYTNEFFH-UHFFFAOYSA-N	309.709	1.549	50	20	DDGD	
Cn1nc2ccccc2c1C(=O)NNC(=O)NCc1ccco1	1325731600	XGSLAHFAQWLCFX-UHFFFAOYSA-N	313.317	1.311	50	20	DDGD	
O=C(NNC(=O)c1ncoc1[C@H]1CCCO1)c1cccc(F)n1	1328859110	MXOGBOPSJXSOTF-SECBINFHSA-N	320.280	1.135	50	20	DDGD	
Cc1nnc(CNC(=O)NNc2cc(F)c(F)c(F)c2)o1	1323432227	ISKIYDDPGSGQAA-UHFFFAOYSA-N	301.228	1.622	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCC[C@@H](F)C2)c1	1325999306	LMERZBIPJCTOFA-CHWSQXEVSA-N	304.325	1.783	50	20	DDGD	
COC(=O)c1csc(C(C)=NNC(=O)C[n+]2ccccc2)c1	1257399189	MZAFZOYJACUFOI-UHFFFAOYSA-O	318.378	1.363	50	20	DDGD	
COC(=O)C(=O)NN=Cc1cccn1Cc1ccccc1C#N	1338501459	XYAGFDNJWPBABL-UHFFFAOYSA-N	310.313	1.031	50	20	DDGD	
Cc1cnc(Cl)cc1C(=O)NNC(=S)N[C@H](C)C1CC1	1335295691	BNDPDOCCRDTBAV-MRVPVSSYSA-N	312.826	1.951	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@H]1Cc1ccccc1)c1cn[nH]c1	1334930577	MCCHACHZEXLOAL-AWEZNQCLSA-N	313.361	1.471	50	20	DDGD	
O=C(NN=C1CCN(c2nccs2)CC1)c1cccnn1	1330890110	HNPMYPFSTFNMGW-UHFFFAOYSA-N	302.363	1.319	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)N3CC[C@@H]3CO)cc2C1	1263063100	MJVOZXJWDQWXBS-MWLCHTKSSA-N	323.418	1.294	50	20	DDGD	
C[C@@H]1COC[C@H]1NC(=O)NNc1cc(C(F)(F)F)ccn1	1340746351	GTEYYNZZYWZSIO-VXNVDRBHSA-N	304.272	1.761	50	20	DDGD	
C[C@@H](NC(=O)[C@H](Br)C(C)(C)C)c1nnnn1C	1514767935	LRQMMJBEXOWOLJ-RQJHMYQMSA-N	304.192	1.197	50	20	DDGD	
COc1cccc(CC(=O)NNc2ccc(CC(=O)O)cc2)n1	1607317532	QDOASKSXOXBFGJ-UHFFFAOYSA-N	315.329	1.403	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12	1601045794	PPHIMXVLIGGMRR-HLFZDTRESA-N	314.316	1.958	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@H]2CCN2C2CCCC2)c1	1602447961	IQYBYNLPUQIEIV-AWEZNQCLSA-N	303.362	1.845	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NN=C1CC(CC(=O)O)C1	1609804455	OIWKFVXVWKLHEZ-RGURZIINSA-N	308.309	1.950	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)N[C@H]2CCN(C3CC3)C2)cc1	1602127146	HFUYLIOSWKZLOW-ZDUSSCGKSA-N	318.377	1.177	50	20	DDGD	
CN(NC(=O)c1ccc(F)c(-c2nn[nH]n2)c1)c1ccccn1	1604826584	CCPZCQIAKIBBPD-UHFFFAOYSA-N	313.296	1.182	50	20	DDGD	
O=C(O)CCCC(=O)NNc1cccc2c1OC(F)(F)O2	1608708810	MJVZCYQLMFUNKL-UHFFFAOYSA-N	302.233	1.706	50	20	DDGD	
Cc1sc(C(=O)O)cc1NC(=O)NNC(=O)c1cccnc1	1600875225	WLIXZVALDHTOOK-UHFFFAOYSA-N	320.330	1.616	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CCn3cncc3C2)cc1F	1602385465	WDVIIBJGCXQCBO-SECBINFHSA-N	318.308	1.426	50	20	DDGD	
Cc1cc(C=NNC(=O)c2cccc(N(C)C)c2)[nH]c1C(=O)O	1610459689	SAXCSJCORRAYKT-UHFFFAOYSA-N	314.345	1.851	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@@H]1C=NNC(=O)c1cn[nH]c1	1552672088	DUBVHELPRLTWLU-PWSUYJOCSA-N	302.338	1.027	50	20	DDGD	
C[C@H]1C[C@H](N)CN1S(=O)(=O)c1ccc(CCCl)cc1	1576612336	RMJYAIBOFWIJIG-JQWIXIFHSA-N	302.827	1.578	50	20	DDGD	
C=CCCC[C@H](N)C(=O)NNC(=O)Cc1ccccc1OC	1574908896	ZVTCTSHAQROQMX-ZDUSSCGKSA-N	305.378	1.069	50	20	DDGD	
Cc1c[nH]cc1C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1843493212	XEBKXGOOKVBOAU-NSHDSACASA-N	313.760	1.675	50	20	DDGD	
CC/C=C(\C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1	1841354115	IWNKQKMBXUJZOD-JXDHDYMSSA-N	314.813	1.146	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1cscc1-c1nn[nH]n1	1591044679	YHOKUVJWAJDKSA-UHFFFAOYSA-N	306.178	1.804	50	20	DDGD	
C[C@H](CC(=O)NNc1ccc(C(=O)O)cn1)c1cccnc1	1592253400	WVELVLLSTADZBF-SNVBAGLBSA-N	300.318	1.812	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccc(C(=O)O)cc1C	1599739456	YKNXOYCTEZTXMO-UHFFFAOYSA-N	317.305	1.640	50	20	DDGD	
C[C@@H]1CCn2cc(C(=O)NNc3ccccc3C(=O)O)nc2C1	1594452189	MAOGEYDDDSAMFV-SNVBAGLBSA-N	314.345	1.921	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CS1	1590219465	SDLIGAKXUPMKIL-VIFPVBQESA-N	316.390	1.868	50	20	DDGD	
CC1(C)SC[C@@H]1NC(=O)NNc1ccc(CC(=O)O)cc1	1593981582	GRBJHBJIUMGEQD-NSHDSACASA-N	309.391	1.834	50	20	DDGD	
C[C@]1(C(=O)NC[C@H](C(=O)O)[C@@H]2CCOC2)C[C@@H]1Br	1593749111	IKFCDUPMIWXAHV-ARHDFHRDSA-N	320.183	1.013	50	20	DDGD	
COC(=O)NNC(=O)[C@H](C)c1c(C)nn(CC(F)(F)F)c1C	158668901	MPIXGRWLMCXMRS-ZCFIWIBFSA-N	322.287	1.553	50	20	DDGD	
Cn1c(=O)oc2c(C(=O)NNC(=S)NC(C)(C)C)cccc21	163096262	RXVQVFNXCONSGZ-UHFFFAOYSA-N	322.390	1.039	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2SCCc3sccc32)[nH]n1	151207634	AQUAPZQFDDYZSR-LLVKDONJSA-N	322.415	1.571	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCNC(C)(C)C	153995167	WUAZMGWGQUSQGA-UHFFFAOYSA-N	300.834	1.857	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@H]1CCOC2(CCCC2)C1	157173114	SIQWFMCNRSPSNT-NSHDSACASA-N	306.366	1.451	50	20	DDGD	
CC(C)(CC(=O)NNc1ccc(C(N)=O)nn1)c1ccccc1	154396850	DFYMVGDNWQVUPE-UHFFFAOYSA-N	313.361	1.387	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNc1ccccc1Br	748058330	IAAOAZQCMPZCED-QMMMGPOBSA-N	314.183	1.807	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1	274536182	RMNSLTNFAIJTQV-LBPRGKRZSA-N	308.313	1.011	50	20	DDGD	
CC(=O)Nc1ccc(CC(=O)NNC(=O)c2ccccc2)cc1	7648964	WRTBUDDMILVBLK-UHFFFAOYSA-N	311.341	1.649	50	20	DDGD	
CC(=O)NNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1	51340755	XEONMOGDJQIAJO-UHFFFAOYSA-N	306.303	1.499	50	20	DDGD	
CC1CCC(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)CC1	56819113	MCHRNKZNQBKLAS-ORHYLEIMSA-N	317.455	1.194	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1ccnc2ccccc12	106925621	IFIDSMNLBBPBCP-UHFFFAOYSA-N	302.334	1.814	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(C(C)(C)C)nn2C)n1	174495113	PDCDETIXIWZWQQ-UHFFFAOYSA-N	318.381	1.582	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)Cc2ccccc2F)n(C)c1	108973874	LBWOTFQQLLGXIY-UHFFFAOYSA-N	317.320	1.371	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCCc2cccs2)nc1	107570694	IYQWTBXIRHGOJR-UHFFFAOYSA-N	315.358	1.201	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H](C)Cn2cccn2)cc(C#N)n1C	57098482	YBMJDNBEGBDJNA-QNKXHIPISA-N	322.372	1.514	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC[C@H]1CCCOC1)c1ccccc1	171838673	PXNNOPYAPMOGSG-HIFRSBDPSA-N	319.405	1.937	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCOc2cc(F)ccc21	118409557	VOJBAFAMPKTVDW-LLVKDONJSA-N	323.368	1.607	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CCc1ccoc1	177056769	OISAFSIKUUZORE-LLVKDONJSA-N	320.320	1.966	50	20	DDGD	
C[C@H](Cc1ccccc1F)C(=O)NNC(=O)Cc1cccnc1	119704707	IMQBMTGBPVZRQW-GFCCVEGCSA-N	315.348	1.789	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CC[C@@H]1Cc2ccccc2NC1=O	119534541	OAXGJAYVOMXCIP-GFCCVEGCSA-N	318.377	1.316	50	20	DDGD	
CS(=O)(=O)Nc1cc(C(=O)NNc2ccccc2)ccc1F	111551084	CFKPOIRSXIOVKV-UHFFFAOYSA-N	323.349	1.954	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(c2ccccc2F)CC1	178946422	ACEXYLSFKZLART-OUKQBFOZSA-N	303.337	1.918	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@@H]1COc2ccccc21	113156487	GYRSHCCHAJFTTM-GFCCVEGCSA-N	301.302	1.286	50	20	DDGD	
C[C@H]1CC[C@H](CCC(=O)NNC(=O)c2ccc(Cl)nc2)O1	175496077	GWUOHCTWASICFK-GXSJLCMTSA-N	311.769	1.844	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc(OCC(F)F)nc2)n1	120422736	LQKNEIGLNXSQJA-UHFFFAOYSA-N	323.303	1.889	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)Nc2c(F)cccc2F)o1	129636533	ZVPPJZUORORSBK-UHFFFAOYSA-N	323.255	1.266	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnc(-c2ccccc2F)s1	65189206	QFZVTULETXUTTI-UHFFFAOYSA-N	308.338	1.913	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCc2ccccn2)c1	73117849	SFGISKOFYJVUJR-UHFFFAOYSA-N	313.361	1.292	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(O)c(Cl)c2)n1	78362321	AGFPDXHQTKDVHA-UHFFFAOYSA-N	322.752	1.320	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)C[C@H](C)c1ccccc1	77163942	YUVDXKKKBOQMFW-LBPRGKRZSA-N	319.405	1.632	50	20	DDGD	
Cc1ncsc1/C=C/C(=O)NNC(=O)Cc1ccncc1	186678698	ZJOXODONJNZAOK-NSCUHMNNSA-N	302.359	1.250	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCCCN1C(=O)CCC1=O	185358178	LZUZPJRMUCUCLL-UHFFFAOYSA-N	322.340	1.299	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1c(O)cccc1O	125596594	WVRBBIJIJKURST-UHFFFAOYSA-N	320.732	1.755	50	20	DDGD	
O=C(NNc1ncccn1)c1ccc(OCC(F)(F)F)nc1	124055126	RHYFTUCFQSGHMY-UHFFFAOYSA-N	313.239	1.570	50	20	DDGD	
CSC[C@@H](C)NC(=O)NNC(=O)c1c(C)nc2ccccn12	77335809	QGMZDUHMJHVQKQ-SECBINFHSA-N	321.406	1.338	50	20	DDGD	
CC[C@@H](SC)C(=O)NNc1nc2ccccc2c(=O)n1C	122781660	FUVRICRONCGBJW-LLVKDONJSA-N	306.391	1.518	50	20	DDGD	
COc1cc(C)c(NC(=O)NNC(=O)Cc2cc[nH]n2)cc1F	186839877	OLAGYNLPFDPCBU-UHFFFAOYSA-N	321.312	1.261	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)NCc1ccco1	124105525	VNBHLHIVZUVMJF-UHFFFAOYSA-N	318.289	1.640	50	20	DDGD	
N#Cc1cc(NC(=O)C(=O)NNc2cccc(F)c2)ccc1F	120905473	KHLTYWCNMVJYJR-UHFFFAOYSA-N	316.267	1.918	50	20	DDGD	
Cc1cc(F)cc(NC(=O)NNC(=O)Cn2nc(C)cc2C)c1	183282763	FGZQGGWILAKVLQ-UHFFFAOYSA-N	319.340	1.800	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)Cn2nc(C)cc2C)CC1	187319012	MPMRXYIBCSVERN-OKILXGFUSA-N	306.410	1.864	50	20	DDGD	
C[C@@H](C#N)CNC(=O)NNC(=O)Cc1ccc2ccccc2c1	182801849	ANDJGHSULDIQKQ-LBPRGKRZSA-N	310.357	1.872	50	20	DDGD	
C[C@H]1CC[C@H](C)N1[C@@H](C)C(=O)NNc1cc(Cl)nc(N)n1	134103578	CKFMHOCNECKFJG-CIUDSAMLSA-N	312.805	1.417	50	20	DDGD	
C[C@H](CO[C@@H]1CCOC1)NC(=O)NNc1cccc(C#N)c1	131169835	HUNRFSKEEWYZJI-BXUZGUMPSA-N	304.350	1.378	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@@H](C)C[S@](C)=O	183580428	MQZIHKYVAXNPOE-CWKPULSASA-N	312.395	1.098	50	20	DDGD	
COc1cccc(NNC(=O)Nc2ccc([S@](C)=O)cc2)n1	184041995	ZCQJGZUJHIVNMP-QFIPXVFZSA-N	320.374	1.976	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H]2CCN(CC(C)C)C2)nn1	133654748	LFPSGFYJSPRDDH-ZDUSSCGKSA-N	306.414	1.389	50	20	DDGD	
CCCSCC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	48383861	MFXXTECDZKMFEL-JTQLQIEISA-N	314.382	1.884	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)O)c(C)n1-c1nccs1	190050475	XEKBTMCHESXMQV-UHFFFAOYSA-N	322.390	1.083	50	20	DDGD	
C[C@H](O)CCCNS(=O)(=O)c1ccc(CCCl)cc1	228069529	OXYSOHLRLQVDQM-NSHDSACASA-N	305.827	1.907	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cnc([C@H]2CCCO2)s1	89605172	IDVWZPPCCCCVKR-SNVBAGLBSA-N	320.374	1.408	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(-n2cccn2)nn1)c1ccccn1	43192207	MMLNZPIETKEDHX-NSHDSACASA-N	324.348	1.445	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cn(C)nc2CC)cc1	92211509	KIQVOLCJARPOEY-UHFFFAOYSA-N	300.362	1.620	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NC[C@@H]2CCCCO2)cc1	144584856	VDCSDUQEPOFQHC-ZDUSSCGKSA-N	302.334	1.071	50	20	DDGD	
Cc1cccnc1NC(=O)NNC(=O)COc1ccccc1F	145393973	ZLYGDFYDGPJKLU-UHFFFAOYSA-N	318.308	1.761	50	20	DDGD	
O=S(=O)(CBr)N[C@@H](CO)C1CCCCC1	386278821	QKSPOQKUNJVOAV-VIFPVBQESA-N	300.218	1.199	50	20	DDGD	
C[S@@](=O)c1ccc(NC(=O)NNc2cnccn2)cc1F	92765715	BLIAIFWUJASJES-NRFANRHFSA-N	309.326	1.502	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1cc(F)ccc1O	94057112	YZUOIUSLEVSUQO-UHFFFAOYSA-N	323.349	1.780	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(C)CCC(=O)NC)cc1	255084601	GMJMRKOSBARGJW-KAMYIIQDSA-N	315.373	1.587	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNC(=S)N[C@@H](C)C2CC2)ccn1	268377866	UCMNFJSSZBTRJI-JTQLQIEISA-N	322.434	1.776	50	20	DDGD	
COc1ccc(NNC(=O)CNC(=O)C2CCCCC2)cc1	267049417	WXOSBXWNASSUKI-UHFFFAOYSA-N	305.378	1.835	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNC(=O)NCc2ccco2)no1	266126258	XHFMRZQRXIHFON-UHFFFAOYSA-N	306.322	1.709	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=S)N[C@H](C)C2CC2)cc1	263886882	LWVBCEZNZXRILU-SNVBAGLBSA-N	323.418	1.368	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1C[C@@]12CCOC2	363836282	OUXUKGOQUAZFTC-LYOVBCGYSA-N	322.336	1.167	50	20	DDGD	
CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CC=C(C#N)CC1)C(=O)C2	273584999	HSJYJMARGGHHTJ-XJKSGUPXSA-N	322.430	1.867	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@@H](C)c1ncnn1C	276827539	DSCQMKYJWBRTGY-JTQLQIEISA-N	317.353	1.220	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)c1ccc(CN2CCCC2)cc1	276605381	KRHSDRAFPBBXAY-UHFFFAOYSA-N	324.384	1.752	50	20	DDGD	
CCOC(=O)N1CCC[C@@H](C(=O)NNc2ccc(OC)cn2)C1	275434247	BEFUZAYVPWEFEZ-LLVKDONJSA-N	322.365	1.402	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)N1CC[C@@H](C2CC2)C1	362077479	JJZUBMXNKHEZJM-OAHLLOKOSA-N	317.389	1.676	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccc(-n3ccnc3)nc2)nn1	363009042	LCWKSBMDDBPXOP-UHFFFAOYSA-N	324.348	1.192	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](CC(=O)NNC(=O)NCc2ccco2)CCO1	273085618	IAGZXDRNKRHJCM-JSGCOSHPSA-N	323.393	1.951	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCc2c(C)noc2Cl)n1	279777719	IDNHBRBWTQQGQR-UHFFFAOYSA-N	322.752	1.734	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1c(C)cc(C)cc1C	272404366	XWMHTJZOZPQRCS-CYBMUJFWSA-N	323.393	1.816	50	20	DDGD	
C=C(C)CS(=O)(=O)NNC(=O)CSc1ccccc1O	276642443	XWOVZUMFMFNJQM-UHFFFAOYSA-N	316.404	1.011	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H]2CC[C@@H](CC)O2)nc1C	272146486	FMOCDBHVQVFBJF-PWSUYJOCSA-N	322.365	1.362	50	20	DDGD	
CC(C)(C)OC(=O)C1=NO[C@H](C(=O)NNc2ncccc2F)C1	286072839	SVKWNPQJJXVNID-JTQLQIEISA-N	324.312	1.150	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H]1O[C@H](C)C[C@H]1C	282586220	GLTIAJCNEHKLNB-GIPNMCIBSA-N	323.418	1.826	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1ccc(C(F)F)cc1	288141104	BKEHEBUSJCOMBS-UHFFFAOYSA-N	306.334	1.980	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(C)(C)Cc1nc2ccccc2[nH]1	282224394	HAMNWMYBKIMPCH-UHFFFAOYSA-N	317.393	1.824	50	20	DDGD	
COCC1(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)CCC1	284347043	NSBKOUWNQFHOLQ-LLVKDONJSA-N	324.352	1.557	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@@H]1OC[C@@H]2COCC[C@@H]21	290378930	BOEBOWNIICVSLQ-ATZCPNFKSA-N	320.374	1.186	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@](C)(OC)C1CC1	290926715	IJTGLUDFUYBKSK-KRWDZBQOSA-N	320.389	1.590	50	20	DDGD	
COCCN(C)NC(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1	294541285	VYXGYXOBFQPHLU-LBPRGKRZSA-N	320.311	1.218	50	20	DDGD	
Cn1nc(NC(=O)NNC(=O)c2cccnc2)cc1C1CC1	290294348	DMNAWURKPJWFBT-UHFFFAOYSA-N	300.322	1.159	50	20	DDGD	
O=C(CCC(=O)c1cccs1)NNC(=O)N=c1cc[nH]cc1	802036160	QZHKOASXLBSBHZ-UHFFFAOYSA-N	318.358	1.381	50	20	DDGD	
Cc1cc2c(cc1C)O[C@H](C(=O)NNC(=O)[C@H]1CCCCO1)C2	295639417	TXOAJAUKGQYQKG-HIFRSBDPSA-N	318.373	1.323	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@H]1C[C@H](c2ccc(F)cc2)C1	297467835	RNVDALFVWKLBDX-UBHSHLNASA-N	321.352	1.581	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1ncc(F)cc1F	804952994	XCBFUZGPWGSDJX-UHFFFAOYSA-N	317.259	1.092	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C1CCC1)[C@H]1OCCc2sccc21	292132015	LRJJSKQYKRVUOJ-TVQRCGJNSA-N	323.418	1.881	50	20	DDGD	
O=C(CCCOc1ccccc1)NNC(=O)[C@@H]1CCCCO1	295559670	MPXPAROCWDGZAB-AWEZNQCLSA-N	306.362	1.562	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H]1CCCC12OCCO2	807426648	SKZABNGBHLNQSG-LLVKDONJSA-N	306.366	1.586	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)N[C@H]1CC(=O)N(C2CC2)C1	292971063	IITZBPSVDOMQAN-QMMMGPOBSA-N	309.757	1.124	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)N2CCN(C)CC2)cc1C	808470656	DLTVKZRWAMPMTI-UHFFFAOYSA-N	305.382	1.297	50	20	DDGD	
CCCCCOCC(=O)NNC(=O)Cn1cnc2ccccc21	299304769	AYYPRHQZQYXJLH-UHFFFAOYSA-N	318.377	1.391	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	802002417	NJYMPSMUPQHVHH-UHFFFAOYSA-N	314.292	1.032	50	20	DDGD	
CN(C)c1ccc(C2(C(=O)NNC(=O)c3ccncc3)CC2)cc1	292665110	LEWUEJFBZTZYHH-UHFFFAOYSA-N	324.384	1.640	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCCc1nnc(N)o1	803149454	GOIPFPBCTMWSBG-YFHOEESVSA-N	301.281	1.057	50	20	DDGD	
C/C(=C/c1ccc(C)cc1)C(=O)NNc1ccc(C(N)=O)nn1	810511541	JSLCKQDMCGKMSO-LUAWRHEFSA-N	311.345	1.431	50	20	DDGD	
COc1cccc(NCC(=O)NN=C(C)C2CCN(C)CC2)c1	814764473	SNPDLIRNUMGKCW-UHFFFAOYSA-N	318.421	1.941	50	20	DDGD	
C[C@H]1Oc2c(cccc2C(=O)NNc2ncncc2F)NC1=O	817080871	INWOYKKJNGFHNB-SSDOTTSWSA-N	317.280	1.092	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CC2CCC1CC2	814494742	XYULELHNASILEX-RYSNWHEDSA-N	324.421	1.938	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H](C)C(C)(F)F)cc1OC	814714780	BTFDXANDCLGOGX-MRVPVSSYSA-N	316.304	1.756	50	20	DDGD	
CNC(=O)c1ccc(C(=O)NNc2cccc(Cl)n2)cn1	817006440	KARGUFZNJILCHN-UHFFFAOYSA-N	305.725	1.247	50	20	DDGD	
Cn1cc(C=NNC(=O)Cc2cc[nH]n2)c(-c2cccs2)n1	814957130	MEJFOARFLLEZLF-UHFFFAOYSA-N	314.374	1.565	50	20	DDGD	
COC(=O)CSCCC(=O)NNc1cccc(Cl)n1	817006140	XJVVCKZPJQNIRY-UHFFFAOYSA-N	303.771	1.474	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1C(=O)NNC(=O)Cc1cn2ccccc2n1	819345903	PVKITOQCRBVSMF-OCCSQVGLSA-N	314.389	1.851	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCCc2ccc(N)cc21	814864647	GZXVXZUSMGPBTK-LLVKDONJSA-N	305.378	1.477	50	20	DDGD	
O=C(CN1Cc2ccccc2C1=O)NNc1cccc(Cl)n1	817006619	QVOJPNDIDBBPJB-UHFFFAOYSA-N	316.748	1.834	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC[C@H](Oc2ccccc2)C1	829090775	GPLUUYQLWFJKBL-AWEZNQCLSA-N	319.405	1.333	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1	822548257	ZMTJWIIUSBVMSE-GHMZBOCLSA-N	308.363	1.166	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1C[C@H](c2ccc(F)cc2)C[C@H]1C	827859754	MKJBYEMCKFBZEP-TZMCWYRMSA-N	321.396	1.807	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)N[C@@H]2C=CCC2)c1	821092532	NWDYCWLCBMVUJF-CYBMUJFWSA-N	303.362	1.731	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1cncc(F)c1	826951191	ICBRXPPGLDVYEG-YGOYTEALSA-N	310.329	1.037	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1C[C@@H](c2ccccc2)C[C@H]1C	827834528	OGSDQZMUHMOFTL-HIFRSBDPSA-N	303.406	1.668	50	20	DDGD	
C[C@H]1SCC[C@H]1NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	828524681	FBMCFEVWXCVYSF-LDYMZIIASA-N	324.362	1.433	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C\c2c(F)ccc(O)c2F)n1	490699351	TURINRHNFQVWIA-VURMDHGXSA-N	304.256	1.950	50	20	DDGD	
CCOc1nc(C(F)(F)F)ccc1C(=O)NN(C)C(=O)OC	495624727	HKISSCUTNZGISS-UHFFFAOYSA-N	321.255	1.842	50	20	DDGD	
CCOC(=O)N[C@@H](C(=O)NNc1ccc(OC)cc1)C(C)C	493052002	MLUBFFJSNFKKTJ-CYBMUJFWSA-N	309.366	1.909	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1ccc(Cl)cc1Cl	497257370	NOSDJRNEQAUJGG-UHFFFAOYSA-N	313.162	1.933	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)C(C)(C)CN2CCOCC2)c1	821163922	OTCIGEZPKWMXJK-UHFFFAOYSA-N	309.385	1.936	50	20	DDGD	
CCNC(=O)Nc1ccc(C)c(NC(=O)NNC(=O)OC)c1	496746619	WFSSYFFLQKIGLO-UHFFFAOYSA-N	309.326	1.529	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C	823798905	IIYAMXYIJHCWKO-SECBINFHSA-N	301.387	1.341	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNc1cccc(Br)n1	823480081	WWEFHFRCYWYHHM-VIFPVBQESA-N	313.199	1.772	50	20	DDGD	
O=S(=O)(CCl)NCc1ccc(N2CCOCC2)cc1	820787159	JXNJADHWOLPLDQ-UHFFFAOYSA-N	304.799	1.139	50	20	DDGD	
CN(NC(=O)c1cc(-c2nn[nH]n2)cs1)c1ccccc1	821618994	DVIKUXDXPZHAJB-UHFFFAOYSA-N	300.347	1.709	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C/C=C/Cc1ccccc1	824016876	UOZGNLVQOSSOCL-RFMXEPQUSA-N	302.374	1.748	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H]1CCCN(CCc2ccccc2)C1	823798105	ARGGSRPDKCSPNN-HNNXBMFYSA-N	318.421	1.291	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@@H]2CSCCS2)cn1	491103743	LUFHDCCBFDGNLA-CSXHZRMWSA-N	308.432	1.292	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1CCOc2ccccc2C1	827308147	YMYQQPQEFCCIEE-DGCLKSJQSA-N	319.361	1.047	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCn3c2nc2ccccc23)cn1	491011840	QCKMNGHTQXDPAI-MDWZMJQESA-N	318.340	1.724	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C/c1cccc(O[C@@H](C)C(=O)O)c1	490610047	GNQCGZWKZLINSE-ZWSXMNCCSA-N	300.314	1.748	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccc3ccccc3c2)CO1	825674304	DFCFRDXAVLRVAC-XHDPSFHLSA-N	313.357	1.961	50	20	DDGD	
COC(=O)c1ccc(CCNC(=O)NNc2cccnn2)cc1	736372791	XSVRZJXWHIYAES-UHFFFAOYSA-N	315.333	1.132	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=Cc1cn(CC)nn1	901134443	WKMFHTVTAKBJPT-UHFFFAOYSA-N	301.350	1.390	50	20	DDGD	
CC(C)[C@@H]1N(C(=O)c2ccc(B(O)O)c(F)c2)CC12CCC2	584993439	YQIVJOVZVQEDSH-AWEZNQCLSA-N	305.158	1.156	50	20	DDGD	
CN(NC(=O)CCNC(=O)C(C)(C)C)C(=O)OC(C)(C)C	496846431	LKPORKARBKNATH-UHFFFAOYSA-N	301.387	1.437	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1ccoc1C(=O)OC	490549343	HFBLACDNJMBTGM-XFXZXTDPSA-N	306.318	1.516	50	20	DDGD	
CC(C)(C)OC(=O)NC1CC(=NNC(=O)Cc2ccncc2)C1	497152902	VZPSXIUWZPUUKL-UHFFFAOYSA-N	318.377	1.783	50	20	DDGD	
O=C(NNC(=O)N1C[C@]2(CCCO2)[C@@H]1C1CC1)C1CCCC1	836425521	BOTJRCFPCWTSKC-XJKSGUPXSA-N	307.394	1.561	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=C1CCC12CCOCC2	496477410	CHQDSSJPZQKWDF-UHFFFAOYSA-N	311.382	1.574	50	20	DDGD	
C[C@@H](Cc1cccc(F)c1)N(C)CC(=O)NNC(=O)C(C)(C)C	839195658	MUIGAPCRAKGGFJ-LBPRGKRZSA-N	323.412	1.882	50	20	DDGD	
CCCCN(CC(F)(F)F)C(=O)c1cccc(B(O)O)c1	584935018	WQGAOXIJMJTRIU-UHFFFAOYSA-N	303.089	1.171	50	20	DDGD	
CN(CCCC(=O)NNc1cccc(C(F)(F)F)n1)C(=O)O	737427784	YYGGYPAOKCZRCI-UHFFFAOYSA-N	320.271	1.934	50	20	DDGD	
CN(C)[C@@H]1CCc2cc(NC(=O)c3ccc(B(O)O)cc3)ccc21	584999311	SECIAJDXFIEJEO-QGZVFWFLSA-N	324.189	1.168	50	20	DDGD	
OB(O)c1ccc(CNc2ccccc2O[C@H]2CCOC2)cc1	585011763	FBWUZYXYMCDSED-HNNXBMFYSA-N	313.162	1.146	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)[C@H]1CCCCO1)c1ccncc1	836340415	MROKSIWYPSFKFC-WCQYABFASA-N	306.366	1.085	50	20	DDGD	
O=S(=O)(CCl)NCC1CCN(CC(F)(F)F)CC1	831190718	HJBNYSPVSJPZHV-UHFFFAOYSA-N	308.753	1.376	50	20	DDGD	
OB(O)c1cccc(CNCc2cccc(CN3CCCC3)c2)c1	585033094	XINMTWDIIIFDTJ-UHFFFAOYSA-N	324.233	1.252	50	20	DDGD	
CC[C@@H]1CCCCN1CC(=O)NNC(=O)c1ccc(C#N)cc1	839464919	RCLBQVQLVCWQFE-OAHLLOKOSA-N	314.389	1.584	50	20	DDGD	
OC[C@H](CNCc1cccc(B(O)O)c1)CC1CCCCC1	585037932	OBNKWRJRKZPYQD-INIZCTEOSA-N	305.227	1.035	50	20	DDGD	
Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CC[C@H](B(O)O)C1	585068497	BQCCZNREADZEOO-LBPRGKRZSA-N	316.170	1.010	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1ccc(OC(F)F)c(F)c1	836489911	ZOIVSKXHYZPQAR-UHFFFAOYSA-N	319.283	1.914	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1CCCc2c1cnn2C	915960173	SUEZIJDUPHFIKR-UHFFFAOYSA-N	304.379	1.238	50	20	DDGD	
CN1CCC[C@H](CCNC(=O)NNc2nc3ccccn3n2)C1	838773451	YYAPMSWGCMMKNA-GFCCVEGCSA-N	317.397	1.087	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2O)n1C	918357997	GMVAIVTTYXDLMC-UHFFFAOYSA-N	307.737	1.767	50	20	DDGD	
C=C[C@](C)(O)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	830806386	LNYODEONZALTQV-LBPRGKRZSA-N	320.317	1.063	50	20	DDGD	
CCn1c(CNC(=O)NNC(=O)C(C)(C)C)nc2ccccc21	915928317	MOXUTXORVJIWEH-UHFFFAOYSA-N	317.393	1.933	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)Cc2c[nH]c3ccccc23)n1	834930272	RAHZYLKFMYAUPX-UHFFFAOYSA-N	310.361	1.781	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cnc(Oc2ccccc2)cn1	910156644	VGTPKJGRBFVMDK-LLVKDONJSA-N	302.334	1.226	50	20	DDGD	
Cc1ccc(NNC(=O)C(C)(C)NS(C)(=O)=O)c(Cl)c1	836936182	HAWDNIAJGZIOJU-UHFFFAOYSA-N	319.814	1.419	50	20	DDGD	
N[C@H](CC(F)F)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	831835469	OSYWKWBADYCOOV-ZCFIWIBFSA-N	308.672	1.674	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1ccc2nnnn2c1	748811542	GRXDCWGRTXSZCI-UHFFFAOYSA-N	308.223	1.299	50	20	DDGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)[C@@H]1COCCO1	745173143	HDZKIAOCFPPDJU-JTQLQIEISA-N	315.782	1.073	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1	916359291	SVDIKTKTVXBJTB-UHFFFAOYSA-N	324.724	1.321	50	20	DDGD	
CCn1ccc(CC(=O)NNc2ccc([N+](=O)[O-])cc2C)n1	846150751	OEXWSNIEAYRTDQ-UHFFFAOYSA-N	303.322	1.805	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCc2c(Cl)cccc21	843658988	GWOCSMIDIIFPJD-CWSCBRNRSA-N	322.792	1.942	50	20	DDGD	
CCOC(=O)COc1cccc(C(C)=NNC(=O)N(C)C)c1	747049015	BOYQQGMMIWBUSK-UHFFFAOYSA-N	307.350	1.624	50	20	DDGD	
CC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1cn(C)nc1C	917530512	KZAUSHOZGOVGDA-UHFFFAOYSA-N	301.306	1.791	50	20	DDGD	
O=C(NCc1ccc(N2CC=CC2)cc1)NNc1ncccn1	741090819	PLCMIVNFQUWRDW-UHFFFAOYSA-N	310.361	1.679	50	20	DDGD	
CN1CCN(CC(=O)NNC(=O)C(C)(C)C)C2(CCCCC2)C1	749846133	JWMGTRIEVWXZGM-UHFFFAOYSA-N	324.469	1.130	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1C1CC1	843658675	FJZNSFWRZIBLKV-PWSUYJOCSA-N	320.393	1.357	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1ccc(Cl)cc1	843647401	YQOHVSRUYXQIDY-MFKMUULPSA-N	310.781	1.845	50	20	DDGD	
CCCCS(=O)(=O)/C(C#N)=C/c1cc(C(=O)OCC)[nH]n1	843268054	HPASFIGUVYRADF-YRNVUSSQSA-N	311.363	1.666	50	20	DDGD	
CC(Cc1ccccc1C)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	743435940	OLFFJWFJXLASPU-CQSZACIVSA-N	323.418	1.400	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@H](CC)OCC	919971964	SULZSNRGYVRSHU-LBPRGKRZSA-N	324.377	1.427	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ncccc1N(C)C)C1CC1	912160577	NGNDMSCNAULOHP-SECBINFHSA-N	307.423	1.055	50	20	DDGD	
CCOC(=O)C[C@@H]1CCCCC1=NNC(=O)c1ncccn1	841664523	XEZLCRHIQSOPFO-NSHDSACASA-N	304.350	1.706	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNc2ccc(CC(=O)OC)cc2)O1	846374461	QBZMDGPYFAYAQK-ZIAGYGMSSA-N	306.362	1.803	50	20	DDGD	
CC(CCc1ccc2c(c1)OCO2)=NNC(=O)N1CCOCC1	745603121	UIRWREDMDOQMIE-UHFFFAOYSA-N	319.361	1.766	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)c1cc(F)c(O)c(F)c1	748010787	CDKRAXYIUBTWIP-UHFFFAOYSA-N	310.231	1.884	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Nc1nnn(C)c1C)c1ccccc1	841791611	BTAITRVUYSPSNU-LBPRGKRZSA-N	316.365	1.470	50	20	DDGD	
COCCOCCN(C)S(=O)(=O)CC(C)(C)CCl	867275586	XGPYLZQWWHLDBK-UHFFFAOYSA-N	301.836	1.176	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NC[C@H]1CCCCN1	841922301	NMGVMJWWUYCKSZ-CQSZACIVSA-N	304.394	1.092	50	20	DDGD	
CC(=O)NNC(=O)[C@@H]1C[C@]12CCCN(C(=O)OC(C)(C)C)C2	847283017	HXJBETABJGOHKY-NHYWBVRUSA-N	311.382	1.191	50	20	DDGD	
O=C(NN=C1CCSc2ccc(F)cc21)C(=O)N1CCCC1	748137499	JMULAKNXBCWNLE-UHFFFAOYSA-N	321.377	1.764	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NCC1(N)CCCCC1	841924034	LTZVZXOZVJRAQC-UHFFFAOYSA-N	318.421	1.530	50	20	DDGD	
CCONC(=O)CNC(=O)NNc1c(C)cccc1C(C)C	845532864	SKVGGSVUYYYXNF-UHFFFAOYSA-N	308.382	1.812	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC(OCC2CC2)CC1	744428363	JCCWDHRQTFHFCP-UHFFFAOYSA-N	311.426	1.071	50	20	DDGD	
O=C(NCc1nc([C@H]2CCCO2)n[nH]1)NNc1ccccc1	847402555	RKIWRHPMDHYASX-LLVKDONJSA-N	302.338	1.483	50	20	DDGD	
COCC1CCC(NC(=O)NNC(=O)[C@@H]2CCCCO2)CC1	840441790	BSJZXMZANZLQKB-BPCQOVAHSA-N	313.398	1.091	50	20	DDGD	
CC[C@@H](C)n1nc(NC(=O)NNC(=O)c2cc(C)[nH]n2)cc1C	757909909	GXBPUDSCCYLVDZ-SECBINFHSA-N	319.369	1.661	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1ncccc1C(F)(F)F	857132536	JGQBLKOKAOSTOZ-RNFRBKRXSA-N	302.256	1.055	50	20	DDGD	
CCOCCS(=O)(=O)NC[C@]1(C)C[C@H]1Br	856756426	PAJGAEQDVJYMGG-BDAKNGLRSA-N	300.218	1.116	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1cc2ccccc2o1	750937656	ZPYGKRLDMUSOKT-UHFFFAOYSA-N	311.297	1.906	50	20	DDGD	
Cc1csc(C=NNC(=O)[C@@H](C)CN2C[C@H](C)O[C@H](C)C2)n1	755588408	RJUAIBSXUWOVAN-WCFLWFBJSA-N	324.450	1.647	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(Cl)cn1CC	922972177	UWBAMMITBOTSGF-QMMMGPOBSA-N	315.757	1.264	50	20	DDGD	
CCCNC(=O)CCNC(=O)NC[C@]1(C)C[C@H]1Br	856827336	PVJGMGFTBSQGOX-SKDRFNHKSA-N	320.231	1.375	50	20	DDGD	
CCCCCc1nnc(NC(=O)NNC(=O)COCC)s1	755428647	VBFODFPJWAFHQF-UHFFFAOYSA-N	315.399	1.460	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)c1c(C)noc1C	757061227	DSWXKJGMBXIPIN-LLVKDONJSA-N	320.353	1.120	50	20	DDGD	
CO[C@@]1(C)C[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)C1(C)C	852164129	QKKDKVRWTKBWOV-BMIGLBTASA-N	324.356	1.368	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(F)cc1Br	755925261	YCZJDWSBXVHEQA-UHFFFAOYSA-N	320.118	1.387	50	20	DDGD	
CCSC1(CNC(=O)NNC(=O)Cc2cccnc2)CC1	852059911	PBCMTBORXXGNHY-UHFFFAOYSA-N	308.407	1.240	50	20	DDGD	
CC(C)CCC(=O)NCC(=O)NC[C@]1(C)C[C@@H]1Br	857403861	VHPQRMWJGOUIDT-GWCFXTLKSA-N	319.243	1.829	50	20	DDGD	
N#C[C@]1(C(=O)NNC(=O)c2cccc(Cl)n2)CC12CCCC2	857324757	MJSUTZCGMGHBTM-HNNXBMFYSA-N	318.764	1.970	50	20	DDGD	
C[C@]1(CNC(=O)N[C@H](CCN)C(F)F)C[C@H]1Br	857103601	LNESITYOMSLYKO-BRDIYROLSA-N	314.174	1.442	50	20	DDGD	
CC(C)Oc1ncccc1C(=O)NNC(=S)NCC1CCC1	855090315	UGRIBSXKKFJABD-UHFFFAOYSA-N	322.434	1.778	50	20	DDGD	
COC(=O)c1cc(NNC(=O)Cn2cc(C)cn2)ccc1C	857267877	SOHYEOVVTZLPML-UHFFFAOYSA-N	302.334	1.430	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H]2C[C@H](C)Cc3c[nH]nc32)c1	857871808	WVBVAZCTIIBNNZ-KCJUWKMLSA-N	318.402	1.907	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)NCC1CC=CC1	858719686	XEBKIMNAVMPUGI-UHFFFAOYSA-N	305.334	1.068	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)c1cccc(F)c1	855828644	HSCDHDOCXBAUIJ-UHFFFAOYSA-N	323.368	1.529	50	20	DDGD	
CCC(=O)Nc1ccc(C)c(NC(=O)NNC(=O)COC)c1	755894350	HGJYKUXPOWTLQA-UHFFFAOYSA-N	308.338	1.143	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)CN1C1CC1	753956474	UHZYOWKDFKWXOM-VIFPVBQESA-N	317.349	1.519	50	20	DDGD	
COC1(C(=O)NNC(=O)Cn2ccc3ccccc32)CCCC1	754215356	FXIVBSJKEAAKSK-UHFFFAOYSA-N	315.373	1.748	50	20	DDGD	
Cc1ccn2ncc(C(=O)NNC(=S)NCC3CCC3)c2c1	855090968	WSLRLZXXZDJYHY-UHFFFAOYSA-N	317.418	1.552	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)c1cn[nH]c1)Cc1ccccc1	858230101	OFOITHGHGBYPBV-UHFFFAOYSA-N	315.377	1.623	50	20	DDGD	
CCOc1cccc(/C=C/C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	862094920	FPXSAFAFIQXVMD-RMRLKUHTSA-N	318.373	1.671	50	20	DDGD	
Cc1cscc1NC(=O)C(=O)NNC(=O)c1ccccc1F	763560451	AUOHSDUBZMXJBW-UHFFFAOYSA-N	321.333	1.595	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)OCC(=O)N1CCOCC1	766745188	ABAPJYFHYMIDMG-SNVBAGLBSA-N	322.199	1.198	50	20	DDGD	
CCCCCC[C@H](CC)C(=O)NNC(=O)CS(C)(=O)=O	863462996	ATJZWMYLUSBWHG-NSHDSACASA-N	306.428	1.175	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc(C(F)(F)F)s1	761826328	AKBPWNKOFXZRNW-UHFFFAOYSA-N	309.269	1.573	50	20	DDGD	
Cc1nnc(-c2ccccc2C(=O)NNC(=O)c2ccccn2)o1	764428352	ADPWMZUQBPOCCJ-UHFFFAOYSA-N	323.312	1.515	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccn(-c2ccccc2)n1	766714895	ZHRFHBIZHYXVQT-CYBMUJFWSA-N	316.361	1.374	50	20	DDGD	
C[C@@H](NNC(=O)Cc1ccccc1S(C)(=O)=O)C(F)(F)F	862319538	GUTARFRZXHJSHZ-MRVPVSSYSA-N	324.324	1.204	50	20	DDGD	
CC[C@@H](C)n1nc(NC(=O)C(=O)NNC(=O)CC(C)C)cc1C	763885522	MWWNPSCQSGCVHM-SNVBAGLBSA-N	323.397	1.295	50	20	DDGD	
C[C@@H](C(=O)NN[C@H](C)C(F)(F)F)N(C)C(=O)OC(C)(C)C	862323407	UWSUMOWTHHKEFS-JGVFFNPUSA-N	313.320	1.813	50	20	DDGD	
C[C@H](NNC(=O)[C@H]1CCCN1C(=O)C(F)(F)F)C(F)(F)F	862317429	GSOANTAGQXELID-NTSWFWBYSA-N	321.221	1.111	50	20	DDGD	
CC(C)c1cc(C(=O)NNCC(F)(F)C(F)(F)F)nn1C	863096570	MVZXXMREZYNPSJ-UHFFFAOYSA-N	314.258	1.976	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2cscc2C(F)(F)F)N1	863150484	VRKDIHARRNZYNX-MRVPVSSYSA-N	305.281	1.496	50	20	DDGD	
Cc1sc(NC(=O)c2cccc(B(O)O)c2)nc1C(C)C	863887374	ZMXDZWAWAFGTKI-UHFFFAOYSA-N	304.180	1.507	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=Cc2cncs2)C[C@@H](C)O1	767762139	FVMJVTGOJHRBSF-SDDRHHMPSA-N	310.423	1.339	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1C[C@H]1c1ccco1	860441450	OKOBLUPXRGQSFV-IJLUTSLNSA-N	322.361	1.508	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NN=Cc1cncs1	767757503	ZMLBRMLKGVYCFX-UHFFFAOYSA-N	306.303	1.580	50	20	DDGD	
OB(O)c1ccccc1CNc1cccc(Br)c1	864018844	ZDGSNEZLYXSTLJ-UHFFFAOYSA-N	305.968	1.741	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCc1nnnn1C1CC1	768198802	JTQUPFLMVIUCLL-VIFPVBQESA-N	316.203	1.434	50	20	DDGD	
Cc1ccc2c(c1)OCCCC2=NNC(=O)CN1CCCC1=O	763138195	QWSXXVARBYFONZ-UHFFFAOYSA-N	315.373	1.610	50	20	DDGD	
COC(=O)c1cccc(OS(=O)(=O)CBr)c1	769935066	IFZCJPPFKGQROC-UHFFFAOYSA-N	309.137	1.534	50	20	DDGD	
C[C@@H](NS(C)(=O)=O)C(=O)NN=CC1CCC(C)(C)CC1	764686744	LCDPAPWVOTZSMM-SNVBAGLBSA-N	303.428	1.243	50	20	DDGD	
CCN(C)C(=O)c1cccc(NC(=O)NN(C)CCOC)c1	879573357	NTQQADGBWBLXEO-UHFFFAOYSA-N	308.382	1.393	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)c2ccn(C)c2)cc1	763760754	XNUXRVRWYFUGCB-UHFFFAOYSA-N	301.350	1.558	50	20	DDGD	
O=C(Cc1ccc(F)cc1Cl)NNC(=O)c1ccccn1	767733270	QUPLWDLHEUYVDJ-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
C[C@](CC(=O)O)(C(=O)NNC(=O)C1CC1)c1ccc(F)cc1	872831017	IOCBXKPYMWSYMK-OAHLLOKOSA-N	308.309	1.116	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H](CO)CC2CC2)cc(C#N)n1C	770988492	SOYXVTDQFFVBGG-SXSSENBOSA-N	312.373	1.389	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCSC(F)(F)F	772022778	WFZPIAUZYPIQKX-ZCFIWIBFSA-N	316.301	1.119	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)Nc1cccc2[nH]ccc12	878535114	QLXQYFAWEZOWLK-UHFFFAOYSA-N	302.334	1.747	50	20	DDGD	
O=C(CCOCC(F)(F)F)NNC(=S)Nc1ccccn1	874956579	IHSKVYUFRDVMDW-UHFFFAOYSA-N	322.312	1.368	50	20	DDGD	
O=C(Cc1ccccc1CO)NNC(=O)c1ccccc1F	779716834	FPDPXJFKGDMSOS-UHFFFAOYSA-N	302.305	1.322	50	20	DDGD	
CCC(=NNC(=O)c1cnn(C)c1)c1cccc(OC)c1OC	872352725	DTUUHMIFNBMYSD-UHFFFAOYSA-N	316.361	1.981	50	20	DDGD	
COC/C(C)=C/C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874954040	PWFXWNDMIXTFEZ-PKNBQFBNSA-N	322.434	1.663	50	20	DDGD	
COc1ncc(Br)cc1C=NNC(=O)N(C)C	872346180	KORQAGSHNPDVFW-UHFFFAOYSA-N	301.144	1.458	50	20	DDGD	
N#CCc1ccccc1CC(=O)NNC(=O)NCc1ccco1	776969810	BKFITDWWOPYNEO-UHFFFAOYSA-N	312.329	1.419	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc(C3CC3)nn2)n1	775674937	KBIFBMLEGBYKSA-UHFFFAOYSA-N	301.310	1.301	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1cccc2ccccc12)n1ccnc1	1115900625	RVABAONTTHRZLN-ZDUSSCGKSA-N	322.368	1.987	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)c1nc2ccccc2s1)N(C)C	874913106	CWPHNKYKISBYQD-LBPRGKRZSA-N	320.418	1.644	50	20	DDGD	
C[C@H](CBr)CN1CCN(C[C@@H]2CCCO2)CC1	770645827	LNLLGNHKDWJYMM-OLZOCXBDSA-N	305.260	1.814	50	20	DDGD	
CC(C)Oc1ncccc1NC(=O)NNc1ncc(F)cn1	775520758	XGAHGIRNFWSCNR-UHFFFAOYSA-N	306.301	1.947	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cc(Cl)cc(Cl)c1F	878681263	LCYJNVQBXNZIGJ-UHFFFAOYSA-N	308.140	1.455	50	20	DDGD	
COc1cccc(NCC(=O)NN=C(C)c2cn(C)cn2)c1	872335900	ZZCJPDRLOAOEOZ-UHFFFAOYSA-N	301.350	1.381	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H]1CCn2cncc2C1	772859768	IDZYDAPYDXUCRC-NSHDSACASA-N	300.366	1.502	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1ccc(C(=O)O)c(F)c1	776763020	FJIOBAXQPBXVPX-UHFFFAOYSA-N	318.308	1.638	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc(C)c1Cl	772213681	SLKSKKRXLSZFFX-VIFPVBQESA-N	312.753	1.751	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)OCCOCC(F)F)cc(C#N)n1C	774792766	TVRXYUBTXWJNCC-XGICHPGQSA-N	323.299	1.937	50	20	DDGD	
C[C@@H](CBr)COC(=O)CC(=O)NCC(F)(F)F	770414780	JILKJYDLSKNQPT-LURJTMIESA-N	320.105	1.629	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccnn1CCC(C)C	779468474	DAIRLSGOWIQVAK-UHFFFAOYSA-N	319.369	1.427	50	20	DDGD	
O=C(NNc1ccccn1)c1cc([N+](=O)[O-])c2nsnc2c1	778423668	WDTXETKKEYOIEB-UHFFFAOYSA-N	316.302	1.751	50	20	DDGD	
COc1cc(OC)c(NC(=O)NN(C)C(N)=O)cc1Cl	776301678	MBWFIAYNONCLJX-UHFFFAOYSA-N	302.718	1.404	50	20	DDGD	
C[C@@H]1CCN1C(=O)NNC(=O)c1ccc(Br)s1	883419836	WKEMXWUMFCVSSW-ZCFIWIBFSA-N	318.196	1.959	50	20	DDGD	
C[C@H](CBr)CN1CCN([C@@H]2CCCN(C)C2)CC1	770667322	PHGPEKXLWIFBAP-ZIAGYGMSSA-N	318.303	1.729	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CCCC(=O)[C@H]2C)cc(C#N)n1C	885036019	JXKOPEDLWZSIMY-CWZJEYLYSA-N	310.357	1.692	50	20	DDGD	
O=C(NNS(=O)(=O)[C@@H]1C[C@H]1c1cccc(F)c1)C1CCC1	882697664	HGMXELZSLJPBFJ-QWHCGFSZSA-N	312.366	1.432	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)N[C@@H]1CCCCC12CCCC2	883659566	LSKJSTITYZMTQY-CYBMUJFWSA-N	317.393	1.924	50	20	DDGD	
CC(C)(C#N)CNC(=O)NNC(=O)Cn1ccc2ccccc21	781955769	SMTRQRKOOONRMS-UHFFFAOYSA-N	313.361	1.521	50	20	DDGD	
O=C(Cn1nnc2c1CCCC2)NNc1ccc(F)c(F)c1	885113762	LZEBSPPMDDOXFR-UHFFFAOYSA-N	307.304	1.578	50	20	DDGD	
C[C@H]1CCN(S(=O)(=O)CCCCl)C[C@H]1n1ccnc1	881986578	NOQGLCDGJLEPFN-NWDGAFQWSA-N	305.831	1.725	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)C(=O)NC1CC1)CCS2	786037654	KOFXNNZVKWLLBP-UHFFFAOYSA-N	319.386	1.290	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CC(=O)CC[C@H]2C)cc(C#N)n1C	885098177	ZCOMERRVMFRRTO-JBARUQGQSA-N	310.357	1.692	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cc(C)c2ncccc2c1	783867770	UYUNDVBPQPSKIU-UHFFFAOYSA-N	300.318	1.349	50	20	DDGD	
C#CCOCCNC(=O)NNC(=O)c1ccc(Cl)cc1F	784551941	LUXGHQGKGUUQEZ-UHFFFAOYSA-N	313.716	1.073	50	20	DDGD	
COc1ccc(S(=O)(=O)N2CC=C(C#N)CC2)cc1OC	780928608	PINFHABYHCMODX-UHFFFAOYSA-N	308.359	1.548	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)C2CCC2)c(C)c1F	782912951	MKGLDPZYONPVKU-UHFFFAOYSA-N	316.354	1.252	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NCC2CC(C)(C)C2)n1	780873602	MPCDWMDQEJTOIX-UHFFFAOYSA-N	307.398	1.267	50	20	DDGD	
CC1(C)CCN(CCNC(=O)NNC(=O)c2ccccc2)C1	898598043	OIOGZUFXDPDEJV-UHFFFAOYSA-N	304.394	1.363	50	20	DDGD	
CN1CCCC(C)(C)[C@H]1CNC(=O)NNC(=O)CC(C)(C)C	790542121	LSWRYTVMKSLXOR-GFCCVEGCSA-N	312.458	1.873	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)[C@H]1CN2CCCN1CC2	799757066	SULRHHITGTYSGF-OAHLLOKOSA-N	302.422	1.390	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C1CCC12CCOCC2	799877993	NACFSIVXIKLZIQ-UHFFFAOYSA-N	305.334	1.072	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1cccc(C(F)(F)F)c1)C1CC1	794607943	BGNABIJSYNCPQX-JTQLQIEISA-N	302.252	1.296	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)cn1	794620759	VFODYHMBCNXCIR-UHFFFAOYSA-N	318.764	1.780	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2cnnn2C)c1	799289828	NNUPWBBWSQAAIJ-UHFFFAOYSA-N	304.379	1.063	50	20	DDGD	
Cc1ccc(CCNC(=O)NNc2nncc(N)c2Cl)cn1	1319394921	SVHGBLYXHPNHAK-UHFFFAOYSA-N	321.772	1.284	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cc3c(cc2O)OCO3)cc1	1318068998	OQFCVUZHMYOJTA-UHFFFAOYSA-N	314.297	1.893	50	20	DDGD	
O=C(NNC(=O)c1cncn1-c1ccccc1)c1cscn1	1318475625	QRQQEPUKZFMGMK-UHFFFAOYSA-N	313.342	1.404	50	20	DDGD	
CCOc1cc(C(=O)NNC(=O)CCOc2ccccc2)[nH]n1	1327872355	SDSIKGARWMNKEF-UHFFFAOYSA-N	318.333	1.039	50	20	DDGD	
Cc1c(C#N)cccc1C(=O)NNC(=S)N[C@H](C)C1CC1	1329290495	GEGSHKAELJVODS-SNVBAGLBSA-N	302.403	1.774	50	20	DDGD	
CN(C)[C@H](C(=O)NNc1ccn(C)n1)c1ccc(Cl)cc1	1329932758	FBADEKDNCHGOPS-ZDUSSCGKSA-N	307.785	1.820	50	20	DDGD	
O=C(C[C@@H]1C=CS(=O)(=O)C1)NNc1nccnc1C1CCC1	1323338133	ZWCFPTBFPGRVEZ-JTQLQIEISA-N	322.390	1.136	50	20	DDGD	
CC(C)c1ccc(NC(=O)NNC(=O)C2CCNCC2)cc1	1326076911	RVHPDWYRIWKLEC-UHFFFAOYSA-N	304.394	1.962	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNc1ccc(C(C)(C)C)nn1	1324414671	WXXHAZZBRZQVLU-SNVBAGLBSA-N	308.382	1.807	50	20	DDGD	
COc1cccc(-c2nc(C=NNC(=O)CCO)cs2)c1	1330903921	QAHJBWUVZUWHKQ-UHFFFAOYSA-N	305.359	1.651	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCSC1)c1cncn1-c1ccccc1	1253001277	QMEIGCHFPPVLDR-NSHDSACASA-N	316.386	1.386	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H](C)n2ccnc2)ccc1C	1331130190	BRKWVHIKIDARPL-NSHDSACASA-N	302.334	1.682	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2(Oc3ccccc3)CC2)n[nH]1	1261390079	ZYHMRBAJEYNEOZ-UHFFFAOYSA-N	300.318	1.091	50	20	DDGD	
COC(=O)c1ccnc(NC[C@]2(C)C[C@H]2Br)n1	1338055767	XEVGUKCCURKYNP-KCJUWKMLSA-N	300.156	1.849	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(Cl)n1	1350168512	HLDSPHNPHWCTPQ-DTWKUNHWSA-N	312.757	1.621	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H]1C[C@@H](N)C12CCC2	1355686627	POQJFTULFPPSAI-NEPJUHHUSA-N	310.829	1.738	50	20	DDGD	
O=C(Cn1ccc(C(=O)O)n1)NNc1cc(F)cc(F)c1F	1608377964	LDHYRHLAMYAZAD-UHFFFAOYSA-N	314.223	1.142	50	20	DDGD	
O=C(O)C(=O)NN=C1CCN(Cc2ccccc2)[C@H]2CCC[C@H]12	1601638059	PLNZHMDCZQRXFG-HIFRSBDPSA-N	315.373	1.618	50	20	DDGD	
O=C(NC[C@H]1C[C@H]1C(=O)O)NNC(=O)c1cccc(Cl)c1	1608461401	XWRRHIKYPSMVDY-PSASIEDQSA-N	311.725	1.005	50	20	DDGD	
O=C(CCCn1ccc(C(=O)O)n1)NNc1cc(Cl)ccn1	1601273462	BMOQPBDNPNOPMW-UHFFFAOYSA-N	323.740	1.553	50	20	DDGD	
CC(C)(C)[C@H](C(=O)O)C(=O)NNC(=O)c1ccc(Cl)nc1	1602852879	SLVZPKHWNPWELV-VIFPVBQESA-N	313.741	1.243	50	20	DDGD	
NC(=O)NN=Cc1ccccc1OCc1ccc(C(=O)O)cc1	1608239755	QPIIEGIBSWYGCX-UHFFFAOYSA-N	313.313	1.966	50	20	DDGD	
O=C(Cn1cc(C(=O)O)cn1)NNc1cccc2cnccc12	1601379519	WFQGONMCAJAVGP-UHFFFAOYSA-N	311.301	1.273	50	20	DDGD	
CCN1CC[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1604340018	GVJGDLLJGJTQCM-NSHDSACASA-N	321.772	1.057	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)C(F)(F)C1(O)CCCC1	1610852522	QYTIWMQDNAWOEA-UHFFFAOYSA-N	314.288	1.768	50	20	DDGD	
C[C@@H]1C[C@@H]1c1ccc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)o1	1549316831	IGXOLKGJDDRFKM-UNIGVISCSA-N	317.389	1.716	50	20	DDGD	
CCn1cc([C@H]2OCC[C@H]2C=NNC(=O)c2ccccn2)cn1	1552447694	KCYZYVXPQCXMSF-WFASDCNBSA-N	313.361	1.791	50	20	DDGD	
NCCCCC(=O)NNC(=O)CSc1ccc(Cl)cc1	1574275832	DVFHAKGSJOAAGO-UHFFFAOYSA-N	315.826	1.709	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](CN)C1CCCCCC1	1579328968	KLYUHAGYFPTJGE-GFCCVEGCSA-N	307.398	1.474	50	20	DDGD	
C[C@@H](N)CC(=O)NNC(=O)c1ccc(Br)s1	1579401215	NRBYJFXBOKLHRD-RXMQYKEDSA-N	306.185	1.009	50	20	DDGD	
NOCCCNC(=O)[C@@]1(c2ccccc2)C[C@H]1Br	1580359188	ORONCKGEULMCRK-DGCLKSJQSA-N	313.195	1.488	50	20	DDGD	
O=C(NNc1ccc(-c2ccccc2)nn1)[C@H](F)[C@@H]1CCNC1	1580737543	SSKHVCVZEAYOAB-IUODEOHRSA-N	315.352	1.534	50	20	DDGD	
CCCN(NC(=O)[C@@H](C(=O)O)C1CC1)C(=O)OC(C)(C)C	1589673964	YWJYGVNGDQEEND-JTQLQIEISA-N	300.355	1.776	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN1)C(c1ccccc1)c1ccccc1	1580733169	OFDNYSLNRGBZAF-HNNXBMFYSA-N	309.369	1.328	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC[C@H]1C(=O)O)c1ccc2ccccc2c1	1594782989	QKNKLPBIFRBIKB-UONOGXRCSA-N	312.325	1.712	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)Nc1ccn(CC(=O)O)n1	1594404742	DMGHHQFMSWUSED-UHFFFAOYSA-N	307.285	1.564	50	20	DDGD	
COc1ccc(NNC(=O)c2sccc2-c2nn[nH]n2)nc1	1591617465	MHDVIHJMVZAMRQ-UHFFFAOYSA-N	317.334	1.089	50	20	DDGD	
Cc1ccc(/C=C\C(=O)NNc2ccc(-c3nn[nH]n3)cn2)cn1	1592143787	HYPZQRZCHRZVHH-DAXSKMNVSA-N	322.332	1.122	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@H]1CN1CC(Oc2ccc(-c3nn[nH]n3)cc2)C1	1590169136	ORLBOOSWIUPNCN-HERUPUMHSA-N	319.796	1.803	50	20	DDGD	
CC1=C(C(=O)NNc2cccc(C(=O)O)c2C)C(=O)OC1(C)C	1594093943	RSXCHBSISSNFEH-UHFFFAOYSA-N	318.329	1.788	50	20	DDGD	
COc1ccc(CC(=O)NNc2cccc(C(=O)O)c2C)nc1	1599548927	QVXUTPVEVUUGHI-UHFFFAOYSA-N	315.329	1.783	50	20	DDGD	
O=C(O)c1cc2cc(C=NNC(=O)[C@@H]3CCOC3)ccc2o1	1776058288	UDDSLGSPLNVTPL-SNVBAGLBSA-N	302.286	1.618	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)c2ccccc2O)cc1O	1776017698	YWMVOSREGIJDKT-UHFFFAOYSA-N	300.270	1.560	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)O)c(O)c1)c1ccc(Cl)nc1	1776035785	GPPDZLIXMDGZKL-UHFFFAOYSA-N	319.704	1.903	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2ccc(O)c(C(=O)O)c2)cc1O	1776103125	RVDHPGYUIIJERG-UHFFFAOYSA-N	314.297	1.868	50	20	DDGD	
O=C(NN=Cc1ccc2oc(C(=O)O)cc2c1)c1ncccn1	1776082127	XFMKZPOLMCLVFU-UHFFFAOYSA-N	310.269	1.685	50	20	DDGD	
COCc1cc(C=NNC(=O)c2cccc(C(=O)O)c2)no1	1776095483	AITIUXXEAWMIQA-UHFFFAOYSA-N	303.274	1.283	50	20	DDGD	
CCn1ccnc1SCC(=O)NNC(=O)c1ccccc1	11889635	GBITYILFJOQLFK-UHFFFAOYSA-N	304.375	1.456	50	20	DDGD	
N#CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](F)Cl)CC1	1796806175	VXNIMKJMHCJLCH-LMLFDSFASA-N	313.760	1.463	50	20	DDGD	
C[C@@H]1CCCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	16446131	GLSHGXOEMPPHGO-LLVKDONJSA-N	320.349	1.088	50	20	DDGD	
N#Cc1cccc(NNC(=O)CCNC(=O)Cc2ccccc2)c1	152509256	KUXXBLJSMIDFOY-UHFFFAOYSA-N	322.368	1.750	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc(F)cc1OCC1CC1	156096891	OWUUZXUDIJQAJM-UHFFFAOYSA-N	324.356	1.329	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cccc(Cl)c1F	156121090	ZHZSBOGWJGIRNN-UHFFFAOYSA-N	313.638	1.985	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)C(=O)NNC(=O)NCc1ccco1	153999860	PXVQNBWVZVYVQT-MRVPVSSYSA-N	306.322	1.519	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1cc(O)nc2ccccc12	156324629	ODHJCJWMYCSLBO-UHFFFAOYSA-N	321.300	1.364	50	20	DDGD	
COc1ccc(NNC(=O)CSCc2cccnc2)nc1	159524150	JWTZFXCVQIZNBJ-UHFFFAOYSA-N	304.375	1.862	50	20	DDGD	
CN1CCN(S(=O)(=O)CCCCl)[C@@H](c2ccccc2)C1	223783017	RHEKMPLHYOIYFZ-CQSZACIVSA-N	316.854	1.934	50	20	DDGD	
O=S(=O)(NC[C@H]1COCCO1)c1ccc(CCl)cc1	311642317	XTUCINMLRYCRQI-NSHDSACASA-N	305.783	1.119	50	20	DDGD	
Cc1nc(CC(=O)NNC(=O)NCCc2cccs2)cs1	54046453	ZKWPJGZQYOFOMQ-UHFFFAOYSA-N	324.431	1.629	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)CC(C2CC2)C2CC2)n1	65105145	JYBQBTVTPHEMHG-UHFFFAOYSA-N	304.394	1.474	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)CCC(F)(F)F	173059321	GKYVUIUJXOAJGE-UHFFFAOYSA-N	320.267	1.564	50	20	DDGD	
Nc1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)cc(Cl)n1	171182453	GMLWTTQPBAYGJF-UHFFFAOYSA-N	322.727	1.460	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C(F)(F)c2ccccc2C)n[nH]1	1352000924	UNJBNIIEXDIHCH-UHFFFAOYSA-N	322.315	1.508	50	20	DDGD	
CCCC[C@H](NNC(=O)COCC)C(=O)Nc1cc(C)on1	112546224	JHZKALOZGLGZQA-NSHDSACASA-N	312.370	1.138	50	20	DDGD	
O=C(CSc1ccc2c(c1)OCCO2)NNC(=O)NC1CC1	64428004	PRMMXHOFWLKVKC-UHFFFAOYSA-N	323.374	1.043	50	20	DDGD	
O=Cc1cccc(OCCC(=O)NNC(=O)c2ccccc2)c1	68227826	KCRRVEKOAUOEMG-UHFFFAOYSA-N	312.325	1.729	50	20	DDGD	
C#CCC(C)(C)C(=O)NNc1c(OC)cccc1S(C)(=O)=O	186061831	DEYZGMOFZIIFKY-UHFFFAOYSA-N	324.402	1.591	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2cccc(Cl)n2)c1	121390402	RWUOMYYSYCNVNY-UHFFFAOYSA-N	318.764	1.876	50	20	DDGD	
O=C(NCC[S@@](=O)Cc1ccccc1)NNc1cccnn1	77666520	PWPGJDTVPNNXGE-QFIPXVFZSA-N	319.390	1.052	50	20	DDGD	
CCOCCCC(=O)NNc1cccc(S(C)(=O)=O)c1	181119651	VRRAZPDXFRUARX-UHFFFAOYSA-N	300.380	1.350	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@H]1CC[C@H](C(F)(F)F)NC1=O	182517866	XMRNJZUWIHXZFZ-JGVFFNPUSA-N	320.246	1.121	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)N[C@H]1CCC[C@H]1CCO	188384577	OSONCBZHDPSKSQ-FZMZJTMJSA-N	323.368	1.250	50	20	DDGD	
Cc1c(C(=O)NNc2ccncc2)cc([N+](=O)[O-])cc1[N+](=O)[O-]	180534023	LYHPSGNDEUIGLM-UHFFFAOYSA-N	317.261	1.963	50	20	DDGD	
C#C[C@@H](C)NC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	185964486	DNRZGXIPICEODR-MRVPVSSYSA-N	312.276	1.645	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)s1	122653067	ZYJYUMDTYBXXCY-GXSJLCMTSA-N	322.434	1.626	50	20	DDGD	
CO[C@@H](C)CCC(=O)NNC(=O)c1ccc2ccccc2n1	182952534	GWBOOSFRMWVHLC-NSHDSACASA-N	301.346	1.811	50	20	DDGD	
COCCCOCC(=O)NNc1ncc(Cl)cc1Cl	132909666	RAFPUJMTLMUWTH-UHFFFAOYSA-N	308.165	1.885	50	20	DDGD	
O=C(NC[C@H]1CCCCO1)NNC(=O)c1ccc(Cl)cc1	139785764	OHDZWFZGYWRGMU-GFCCVEGCSA-N	311.769	1.853	50	20	DDGD	
CC(=O)Nc1cccc([C@H](C)NC(=O)NNc2ncccn2)c1	45719491	XHTNEJNHYUDSPH-JTQLQIEISA-N	314.349	1.822	50	20	DDGD	
O=C(NC[C@@H]1CCCO1)NNC(=O)c1ccc2ccccc2n1	42870133	OMIBMLBYFYWCCJ-LBPRGKRZSA-N	314.345	1.358	50	20	DDGD	
Cc1c(C(=O)NNc2cc(Cl)nc(N)n2)cnn1CC(C)C	133911378	SBYXQHZSBZHELQ-UHFFFAOYSA-N	323.788	1.630	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1ccc(NC2CC2)nc1	138868926	FXNYCFLUOKWTEI-UHFFFAOYSA-N	315.333	1.393	50	20	DDGD	
Cc1nc(CC(=O)NNc2ncccc2[N+](=O)[O-])c(C)s1	132687394	KCGHNVGAWNFPNU-UHFFFAOYSA-N	307.335	1.749	50	20	DDGD	
O=C(NNC(=O)c1c(Cl)nc2ccccn12)c1cccnc1	47296098	TWWLCMKEFJCYNZ-UHFFFAOYSA-N	315.720	1.458	50	20	DDGD	
CCOC(=O)c1cc(NS(=O)(=O)CCCCCl)[nH]n1	190818995	JIRDUWWRIMUGJV-UHFFFAOYSA-N	309.775	1.347	50	20	DDGD	
O=C(CNC(=O)NNC(=O)C1CCC1)Nc1ccc(Cl)cc1	264751313	JZYUCDULQPNFHX-UHFFFAOYSA-N	324.768	1.409	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2C[C@](C)(OC)C2(C)C)n1	266782255	XYXXMAMAHMDNHO-OTYXRUKQSA-N	309.370	1.315	50	20	DDGD	
CCOC(=O)/C(=C\c1cnn(CCCl)c1)c1nccn1C	264188439	NKYYNXHQERNUQT-WQLSENKSSA-N	308.769	1.959	50	20	DDGD	
O=C(NCC1CCN(C2CC2)CC1)NNc1cncc(Cl)n1	278657131	KGKFUGDJXMQMHP-UHFFFAOYSA-N	324.816	1.631	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2cccc(S(C)(=O)=O)c2)CCO1	272033904	POKZPGVKPFCCDB-GHMZBOCLSA-N	312.391	1.348	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNc1ccc(OC)cn1	277138421	XFYBWAPZCYEICL-UHFFFAOYSA-N	302.334	1.949	50	20	DDGD	
COCCOC1CCC(C(=O)NNC(=O)c2ccccn2)CC1	279699458	RSQYTGNMCGNYTM-UHFFFAOYSA-N	321.377	1.064	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)n1	279855258	UKQCEDPYPKHPSN-UHFFFAOYSA-N	320.393	1.094	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1ccc(CCN(C)C)cc1	276061294	BQXCBELCIVZPOL-UHFFFAOYSA-N	320.437	1.667	50	20	DDGD	
COCC(=O)N(C)CC(=O)NNc1cc(Cl)cc(Cl)c1	276908236	UGTZHDLLRVCKBC-UHFFFAOYSA-N	320.176	1.541	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(OC2COC2)cc1	275383682	BZFJUAPWLSPMKS-JTQLQIEISA-N	307.350	1.663	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC[C@H]2CCSC2)cc1	279354418	SDVJDPFSSGHBPL-GFCCVEGCSA-N	323.418	1.457	50	20	DDGD	
COC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)c2cccc(C)n2)C1	279806285	NDZCYDJLOMKTFJ-NEPJUHHUSA-N	319.361	1.130	50	20	DDGD	
CCN(CC)C(=O)CCCNC(=O)NNc1ncccc1F	286483629	CJAOBQINESINLF-UHFFFAOYSA-N	311.361	1.495	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)C(C)(C)c1ccccc1	286761415	ZIDOQAZPMWVIGQ-CHWSQXEVSA-N	318.373	1.311	50	20	DDGD	
CCCN(NC(=O)[C@H](O)c1ccccn1)C(=O)OC(C)(C)C	286652483	XVTQVJVCWZNVAQ-GFCCVEGCSA-N	309.366	1.793	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1CCC2(CCC2)CC1	376358176	HRTRBPLRNJRDIZ-UHFFFAOYSA-N	302.378	1.631	50	20	DDGD	
COC(=O)COCC(=O)NNc1nc2ccccc2cc1C	288408280	GLGFNRGSOOXEDS-UHFFFAOYSA-N	303.318	1.176	50	20	DDGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)C(=O)NCCF	282696206	FIBBVXHFUDELIP-BKLZJWBFSA-N	307.300	1.323	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)C2CC2)cc1C	281341575	UUYIWWACUDDYEB-LLVKDONJSA-N	303.362	1.435	50	20	DDGD	
CNc1ccc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)cn1	803437493	NMOYMXKLVXHJAO-UHFFFAOYSA-N	309.329	1.722	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1	801958819	CGPYCTUCYHZJCU-SECBINFHSA-N	322.258	1.634	50	20	DDGD	
C[C@@H]1CSC[C@H]1NC(=O)NNC(=O)Cc1ccc(F)cc1	805791321	JAUNRKHQOWLROY-BXKDBHETSA-N	311.382	1.450	50	20	DDGD	
CSSCCNC(=O)[C@@H](C)Sc1nnnn1C1CC1	803472392	AYZUHLQQSGPHJV-SSDOTTSWSA-N	319.481	1.616	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccc1	295552639	MBNHQVSHDHELAD-XJKSGUPXSA-N	306.362	1.265	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCn2ccnc2C)s1	299675707	WAHPDKLLGUENCT-UHFFFAOYSA-N	307.379	1.206	50	20	DDGD	
C#CCO[C@H](C)C(=O)NNc1ccc(C(=O)OCC)c(C)c1	295925362	FRAUEKIATGUMLU-GFCCVEGCSA-N	304.346	1.653	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1[nH]c2ccccc2c1Cl	299383313	OPMNZALTNZFTPF-UHFFFAOYSA-N	322.752	1.508	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1C(=O)NNC(=O)COc1ccccc1O	294426208	AAAZZJSPKPKSFN-NEPJUHHUSA-N	306.362	1.745	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CCCCO2)ccc1[N+](=O)[O-]	296883757	QOUWLMGIAXYTJU-LBPRGKRZSA-N	322.321	1.625	50	20	DDGD	
Cc1nn(-c2ccccn2)c(C)c1C=NNC(=O)C(C)(C)O	802711741	AVSOVPXZCQECPS-UHFFFAOYSA-N	301.350	1.105	50	20	DDGD	
C[C@@H]1CC(=O)N[C@H](C(=O)NNc2nccnc2C2CCC2)C1	294025131	NUIVBKJVNMVUSH-ONGXEEELSA-N	303.366	1.102	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccn(CCc2ccccc2)n1	296211947	NJZQVRYPCTXEKY-UHFFFAOYSA-N	302.334	1.469	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1coc(-c2ccccc2)n1	295682720	YFTSDFYAMMEHHH-CYBMUJFWSA-N	315.329	1.672	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)[C@@H]1OC[C@@H]2COCC[C@@H]21	290426505	MTEPHIVLGPWGBJ-ZIBATOQPSA-N	314.345	1.124	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H](F)C(F)(F)F)cc1C	809933477	IETROTRPSYFSMW-LLVKDONJSA-N	322.258	1.730	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNC(=O)Nc2ccccc2)c1	801991796	XLCZPVIQMSMHIS-UHFFFAOYSA-N	313.313	1.940	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1Cl)c1ccc[nH]1	816823769	FUPMPVLDAOCJPA-UHFFFAOYSA-N	308.681	1.651	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](CC(F)(F)F)C1	817282282	YGHFPHHZEPLHSL-NXEZZACHSA-N	309.332	1.597	50	20	DDGD	
Cc1nnsc1C=NNC(=O)[C@@H]1COc2ccccc2O1	814214295	ZZVJRWZVVVQOMW-NSHDSACASA-N	304.331	1.137	50	20	DDGD	
COc1cc(C=NNC(=O)c2cnccn2)ccc1OC(F)F	818286393	SLPRNHJMNJAALL-UHFFFAOYSA-N	322.271	1.851	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@@H]1CCCN(c2ccccc2)C1=O	816012823	XJCQOLMIXJAFSE-HNNXBMFYSA-N	310.357	1.390	50	20	DDGD	
O=C(NN=C1CCN(CCO)CC1)c1ccc(Cl)cc1F	819808092	JVOLNUKXJBGCHD-UHFFFAOYSA-N	313.760	1.653	50	20	DDGD	
CN(NC(=O)CCCc1nc(O)c2ccccc2n1)C1CC1	819643600	GKTLCSLDPDNWLM-UHFFFAOYSA-N	300.362	1.784	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2ccnnc2)CN1Cc1ccccc1	817343648	QLQJEXXIMAKBPC-CYBMUJFWSA-N	309.373	1.857	50	20	DDGD	
CN(C)CC(=O)NN=C1C(=O)Nc2c(Cl)cc(Cl)cc21	727649704	LGRISLHPBPRERV-UHFFFAOYSA-N	315.160	1.327	50	20	DDGD	
Cn1cnc(C(=O)NNc2ccccc2OC(F)(F)F)n1	811221109	CGRTZADQBNJDEJ-UHFFFAOYSA-N	301.228	1.471	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1COc2cccc(Cl)c21	814865571	UHCICNWBJFDHNT-SECBINFHSA-N	312.753	1.604	50	20	DDGD	
O=C(COC1CCCCC1)NNc1nc(-c2cccnc2)no1	728077077	ONIBZFXLBBCJBI-UHFFFAOYSA-N	317.349	1.924	50	20	DDGD	
C[C@@H](NNC(=O)c1ncc(Br)cn1)C(F)(F)F	826940166	ABKGTHUMYKZNPM-SCSAIBSYSA-N	313.077	1.424	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=S)NCC2CCC2)c1	727866251	BJSPKTLFJDXRAX-UHFFFAOYSA-N	321.446	1.923	50	20	DDGD	
Cc1noc([C@@H](C)NC(=O)NNc2cccc([N+](=O)[O-])c2C)n1	728132546	RKYRJDFNTDLCQB-MRVPVSSYSA-N	320.309	1.982	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(C(F)(F)F)nc1OCC	496903206	PRVGDKHIMLACKU-UHFFFAOYSA-N	321.255	1.890	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)c1	822200634	UDKSUHNVBQQEEX-JRPNMDOOSA-N	318.373	1.901	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)CC(F)(F)F)cc1C(F)F	823368549	KNHUGTPQOAYOAA-UHFFFAOYSA-N	300.187	1.071	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Nc2nc(C)n(C)n2)c1C	823508523	KEWPFFDPHNDXNE-UHFFFAOYSA-N	318.337	1.367	50	20	DDGD	
COCC1CCC(NC(=O)/C(C#N)=C/c2cnn(C)c2)CC1	491105064	PHKIEFKMEBBZGE-VGOFMYFVSA-N	302.378	1.648	50	20	DDGD	
COc1ccc(C)cc1CC(=O)NNC(=O)c1cccn1C	726540271	BWCTZSZLUIWAOB-UHFFFAOYSA-N	301.346	1.346	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C[C@H]1CCC(=O)N1C	825223081	XPLJLCDXELVJSZ-SECBINFHSA-N	308.290	1.520	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1nc2ccccc2[nH]1)C(C)(C)C	827516368	UALFIXDTMWCEET-GFCCVEGCSA-N	303.366	1.557	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1cc2ccccc2[nH]1	826017121	VPPMWTWZEXMYMU-ZWNOBZJWSA-N	316.361	1.423	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2coc3c2C(=O)CCC3)n1	822341760	IZWOVUAWPVLOTB-UHFFFAOYSA-N	300.318	1.962	50	20	DDGD	
CC[C@H]1CCC[C@H]1C(=O)NNC(=O)CNC(=O)OC(C)(C)C	496909355	PLUGVGHLIZPPSL-WDEREUQCSA-N	313.398	1.485	50	20	DDGD	
CO[C@H](CNCc1ccccc1B(O)O)c1ccccc1Cl	585028946	SUWICBHUPXPVKV-MRXNPFEDSA-N	319.597	1.497	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCC1(CO)CCCC1	491103010	KBOSYVFZDOKFLY-NTEUORMPSA-N	300.358	1.968	50	20	DDGD	
CCCN(CC)C(=O)c1ccc(C(=O)NN(C)C(=O)OC)cc1	495693810	TTWNCKOQZIAQEQ-UHFFFAOYSA-N	321.377	1.902	50	20	DDGD	
OB(O)c1ccc(CNCCCOc2ccc(F)cc2)cc1	585020100	WZDUJLNLOOCHHN-UHFFFAOYSA-N	303.142	1.064	50	20	DDGD	
Cc1c(C(=O)N2CC[C@H](B(O)O)C2)cnn1C1CCCCC1	585065614	ZUVMUQXKBUBLRZ-LBPRGKRZSA-N	305.187	1.386	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@H]1C(=O)NCC1(C)C	827611149	JSEDNVGOTGUBKR-SFYZADRCSA-N	305.216	1.437	50	20	DDGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)[C@H]1C[C@@H](O)C1	821163647	GXWQMEMKCNMBKQ-WAAGHKOSSA-N	304.268	1.842	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)CCc1cccc(F)c1	901854599	KEDQITUOFRFJPV-SNVBAGLBSA-N	302.371	1.365	50	20	DDGD	
CC(C)(C)O[C@@H]1C[C@@H](NCc2ccc(B(O)O)o2)C12CCC2	585050274	VVROEZCICSOFOJ-CHWSQXEVSA-N	307.199	1.175	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1ccccc1	826009592	CNPPWPZETDMVJH-UBHSHLNASA-N	305.378	1.893	50	20	DDGD	
C[C@]1(C(=O)NCc2nccnc2Cl)C[C@@H]1Br	908113121	NBGHEDKYWBYGRZ-XVKPBYJWSA-N	304.575	1.920	50	20	DDGD	
CC(C)[C@H]1N(C(=O)c2ccc(B(O)O)cc2)CC12CCCC2	585001534	WVNJWIJXFQRUHX-OAHLLOKOSA-N	301.195	1.407	50	20	DDGD	
CCOC(=O)[C@H](F)C1CN(C(=O)[C@]2(C)C[C@@H]2Br)C1	908404577	VSJRPMIIBDGANT-YGOYTEALSA-N	322.174	1.520	50	20	DDGD	
CC(C)(C)C[C@H](NC(=O)c1ccc(B(O)O)cc1)C(F)(F)F	584971198	LGLWQVAXVHYUMX-NSHDSACASA-N	317.116	1.463	50	20	DDGD	
CC(C)c1csc(CNC(=O)c2cc(B(O)O)ccc2F)n1	584961104	YLQUBWXKYLENSX-UHFFFAOYSA-N	322.170	1.015	50	20	DDGD	
CSc1nc(O)nc(C)c1C(=O)NNC(=O)OC(C)(C)C	493242926	DDWYOOXWCYFNGX-UHFFFAOYSA-N	314.367	1.382	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)NC2CCCCC2)C[C@H]1Br	905103239	GBOCPJKNYGYSKU-SKDRFNHKSA-N	318.215	1.823	50	20	DDGD	
COC[C@@H](OC)C(=O)NNc1ccc(OC(F)(F)F)cc1	830791392	IHULLLCFDNOJJU-SNVBAGLBSA-N	308.256	1.690	50	20	DDGD	
CCCN(C)CC(=O)NNC(=O)Cc1ccc2ccccc2c1	730278518	OFJOUSQJGYPRKC-UHFFFAOYSA-N	313.401	1.872	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C/c1n[nH]c2cc(C(=O)O)ccc12	490784053	VYQPOZBENLJLBK-IZZDOVSWSA-N	312.329	1.940	50	20	DDGD	
CO[C@](C)(C1CC1)[C@@H](C)NCC(=O)NNC(=O)c1ccccc1	839636793	BPHVWLIEPXDPEX-PXAZEXFGSA-N	319.405	1.241	50	20	DDGD	
Cc1cc(CC(=O)NN=C2CCCc3nc(C)sc32)n[nH]1	730947866	MUBHSCFSBLSFMZ-UHFFFAOYSA-N	303.391	1.882	50	20	DDGD	
O=C(NC[C@H]1CCCCS1)NNC(=O)[C@H]1CCCCO1	836429156	KUSIRIPJLIHQJU-GHMZBOCLSA-N	301.412	1.172	50	20	DDGD	
CC(C)(C)CCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	735603868	PCAUBYCFOJETAD-UHFFFAOYSA-N	316.365	1.454	50	20	DDGD	
N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(B(O)O)cc1	585048431	PHBCMOYFIATHPJ-GOSISDBHSA-N	306.174	1.405	50	20	DDGD	
O=C(NC1CC2(CCCCC2)C1)c1cc(B(O)O)ccc1F	585006039	PUGYYYCZALRXLY-UHFFFAOYSA-N	305.158	1.348	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)c1F	837688828	IETDUPUVUSRMAS-GDPRMGEGSA-N	320.320	1.671	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)NC1CC(c2ccccc2)C1	836275585	LDEVGVHULRQZFR-NRXISQOPSA-N	317.389	1.832	50	20	DDGD	
CC[C@H](C)n1ncc(C(=O)N2CC[C@H](B(O)O)C2)c1C1CC1	585064812	TVHBQQYMJNXVTC-JQWIXIFHSA-N	305.187	1.420	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)c1)N[C@@H]1CC12CCOCC2	836610815	KWXJGOYJERWKAZ-GFCCVEGCSA-N	323.780	1.853	50	20	DDGD	
O=C1CCC(=NNC(=O)c2cccc(OC(F)F)c2)CCN1	834953505	IGGXFHDXOOBGPF-UHFFFAOYSA-N	311.288	1.674	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(C(F)(F)F)nn1)c1cnccn1	907124967	TVIXUSQIPSTALE-ZETCQYMHSA-N	312.255	1.532	50	20	DDGD	
COc1ccc2c(c1)nc(CNS(=O)(=O)CCl)n2C	831130009	GUWDZYYRMUVQMT-UHFFFAOYSA-N	303.771	1.198	50	20	DDGD	
CC(C)N1C[C@H](NC(=O)NNc2cccc(C(=O)O)c2)CC1=O	833500898	PDLHKSLYDHWOHR-GFCCVEGCSA-N	320.349	1.020	50	20	DDGD	
Cn1cc(C=NNC(=O)c2ccc3c(c2)OCO3)c(C2CC2)n1	901126502	JPQIEOCKVKWPDC-UHFFFAOYSA-N	312.329	1.790	50	20	DDGD	
COc1ccccc1C(=O)NN[C@H](C(=O)O)c1ccccc1	738116307	SQJHKTRCGBOWOV-AWEZNQCLSA-N	300.314	1.756	50	20	DDGD	
COCCN(C)NC(=O)CCOc1ccc(F)c(Cl)c1	837622045	QOMLNGAOTOUSQW-UHFFFAOYSA-N	304.749	1.857	50	20	DDGD	
Cc1nn(C)cc1[C@@H](C)NC(=O)NNC(=O)CC(F)(F)F	739035784	XHDSAUCRATZASP-ZCFIWIBFSA-N	307.276	1.072	50	20	DDGD	
CN1CCCC[C@@H]1CCOC(=O)/C(C#N)=C\c1cnn(C)c1	837970127	YFGQEQZNFPBHCW-KQGZCTBQSA-N	302.378	1.745	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1c(C)cccc1Cl	839529968	YJAAXXCHIKBHNT-UHFFFAOYSA-N	312.757	1.279	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2nn(C)c(=O)c3ccccc23)[C@@H](C)O1	834926090	GXJQDMNOIDTEGY-VHSXEESVSA-N	314.345	1.217	50	20	DDGD	
COC1CCC(NC(=O)NNc2ncc(F)cc2F)CC1	838756825	QPUPFGJZCGHZAJ-UHFFFAOYSA-N	300.309	1.944	50	20	DDGD	
O=C(NNC(=O)Nc1ccc2c(c1)OCO2)NOC1CCCC1	836388646	RJOHXTKGFSDSFD-UHFFFAOYSA-N	322.321	1.625	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(S)n1)c1ccc(C)cc1	730585449	DLIWSFUVOYJWTN-UHFFFAOYSA-N	316.386	1.862	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc(OC)c([N+](=O)[O-])c1	730145430	YTRIPKJTCGQUAE-UHFFFAOYSA-N	322.365	1.785	50	20	DDGD	
C[C@@]1(CNc2nc(N)nc(Cl)c2N)C[C@@H]1Br	912290302	VWZYCGVCHWRLMB-IGJIYHIXSA-N	306.595	1.880	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NNC(=O)COc1cc(C)cc(C)c1	916093949	AJNLZMJXPFUHOZ-ZIAGYGMSSA-N	306.362	1.255	50	20	DDGD	
Cc1c(C(=O)NN(C)C[C@H](C)O)ccc(Br)c1F	910138921	MSJGTJVOKYETQH-ZETCQYMHSA-N	319.174	1.854	50	20	DDGD	
Cc1cc(C)c(NC(=O)NNC(=O)Cc2cccnc2)c(C)n1	836632345	LFXAXTQEHLIBDU-UHFFFAOYSA-N	313.361	1.797	50	20	DDGD	
CCN(CC)CCC(=O)NNC(=S)N[C@H]1CCCC[C@@H]1C	916126833	LXNFCHCECBSDJJ-STQMWFEESA-N	314.499	1.792	50	20	DDGD	
Cc1nc[nH]c1CC(=O)Nc1cccc(NC(=O)NN(C)C)c1	843870388	UBPQNLWNSFPVSN-UHFFFAOYSA-N	316.365	1.497	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H]2Cc3ccccc32)c1	740748930	DSCSREWJWUPUAI-MRXNPFEDSA-N	310.353	1.861	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCc1ccc(F)cc1F	843659678	IOPHSOJZSOIOCQ-JOYOIKCWSA-N	312.316	1.470	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)Cc2cn3ccccc3n2)n1	748334673	KHZGZUYCWCZXOT-UHFFFAOYSA-N	316.752	1.772	50	20	DDGD	
C[C@@H](Cc1ccc(C#N)cc1)C(=O)NNC(=O)[C@@H]1CCCCO1	847061927	MNOSKVHWBDZLGJ-WFASDCNBSA-N	315.373	1.453	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NNC(=O)c1ccc(C#N)cc1	746184502	DFLNCWUKTSGBLZ-VXGBXAGGSA-N	300.362	1.192	50	20	DDGD	
CC(C)OC(=O)CCNC(=O)NNc1ccc(F)c(F)c1	913954942	WKIWPAXQXHVXHF-UHFFFAOYSA-N	301.293	1.933	50	20	DDGD	
CCc1cccc2c1NC(=O)C2=NNC(=O)[C@@H]1CCO[C@@H]1C	842555496	LSXRDXDHLRGQGI-MWLCHTKSSA-N	301.346	1.446	50	20	DDGD	
CC(=NNC(=O)c1c[nH]nc1C)c1ccc([S@@](C)=O)cc1	746373089	XRLXEDKAJOGQDX-OAQYLSRUSA-N	304.375	1.610	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)Cc2ccccc2F)CCCNC1	841973428	UFIANFPDCKRILK-MRXNPFEDSA-N	322.384	1.088	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(Cl)nc2)c(C)n1C	918597232	KWDKZWAACLDWOA-UHFFFAOYSA-N	306.753	1.765	50	20	DDGD	
O=C(NC[C@@H]1CCCNC1)NNc1ccc(OC(F)F)cc1	841923293	AVKPFSPREBUHNW-SNVBAGLBSA-N	314.336	1.914	50	20	DDGD	
CC[C@H](C#N)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	846019805	XVBJIDJGDVKDLX-NXEZZACHSA-N	309.753	1.804	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CCC(=O)N1CCC(O)CC1	848082708	UARJJLXWFUFXAH-UHFFFAOYSA-N	311.209	1.012	50	20	DDGD	
CC[C@H](C#N)C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	845075883	DIPWULJLFMYCIX-SECBINFHSA-N	321.333	1.023	50	20	DDGD	
CCN1CCc2nc3ccccc3c(C(=O)NNC(C)=O)c2C1	912693594	FWZKMZMZETWXQF-UHFFFAOYSA-N	312.373	1.394	50	20	DDGD	
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NNC(=O)C2CC2)cc1	742473228	YBJNIEYDTJJSFE-AWEZNQCLSA-N	315.373	1.043	50	20	DDGD	
O=C(NCCC(=O)N1CCCCCC1)NNC(=O)C1CCCC1	748463181	MANCBLBANPFELP-UHFFFAOYSA-N	324.425	1.300	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1ccc(Cl)s1	842587312	ZBPPRNXQVZGLSD-BQBZGAKWSA-N	324.811	1.136	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1	841102366	AOGXZSYQYZUSNB-UHFFFAOYSA-N	315.717	1.140	50	20	DDGD	
CC(C)O[C@H](C(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1ccccc1	843654046	GRQWZIAYNSQHMX-QEJZJMRPSA-N	320.389	1.725	50	20	DDGD	
COc1cccc(NNC(=O)c2cn(C)nc2C2CCC2)n1	840415910	AICRFRCNODXOIY-UHFFFAOYSA-N	301.350	1.848	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)C(C)(C)C)C[C@H](C(F)(F)F)O1	745998665	NLJREYHWSQERBV-HTQZYQBOSA-N	311.304	1.425	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CS1	840419739	XMDMZKDEDIHVBA-WCBMZHEXSA-N	324.362	1.433	50	20	DDGD	
COC1([C@@H](C)NC(=O)NNC(=O)c2ccccc2C)CCC1	840453672	QQLRIUPDBSQFIY-GFCCVEGCSA-N	305.378	1.897	50	20	DDGD	
CCOc1ccc(OC(C)(C)C(=O)NNC(=O)NC2CC2)cc1	920821914	HSNCLWWBNDDICV-UHFFFAOYSA-N	321.377	1.736	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CC2(CSC)CC2)c1O	846631760	FAINBJGXANXJQU-UHFFFAOYSA-N	324.402	1.695	50	20	DDGD	
O=C(NNc1cccnc1Cl)[C@H]1CCc2ncncc2C1	843905829	CMTNAKDWSCVTOW-VIFPVBQESA-N	303.753	1.773	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H](C)Cc2cnc[nH]2)ccc1F	848200935	SAAWDYQSJIEXID-VIFPVBQESA-N	320.324	1.657	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC[C@@H]1CCCNC1)c1ccccc1	841924155	VDWLHDNWJMRBCY-UKRRQHHQSA-N	318.421	1.510	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2cnn(C)c2)c2[nH]ncc12	756527549	ZUMLFIMZZMVMNP-UHFFFAOYSA-N	313.321	1.071	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H]2CCCN2Cc2ccccn2)nc1	924815818	BUJMRYWCPPELPL-OAHLLOKOSA-N	322.372	1.456	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1nc(C2CC2)cs1	755494657	ZNTMJCNBEIMIBE-UHFFFAOYSA-N	306.351	1.519	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCOC1	853788397	WIGFQIQPXROEFJ-DTWKUNHWSA-N	312.301	1.785	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@H]1CCN(C2CCCCC2)C1	852279215	OQULOGGSXQTFNA-AWEZNQCLSA-N	322.453	1.914	50	20	DDGD	
CCn1c(O)nc2cc(C(=O)NNC(=O)OC(C)(C)C)ccc21	854163803	HSYXRLXRUHQFQW-UHFFFAOYSA-N	320.349	1.931	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cnc3n2CCC3)cc1	856790785	BEFWRUZVIKEMRG-UHFFFAOYSA-N	313.361	1.011	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)COc1ccc(F)cc1)C1CC1	920054820	VODQQTABRPQUOY-SNVBAGLBSA-N	309.341	1.581	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)c2cccc(F)n2)[C@H](n2cncn2)C1	853445404	ZVFGYWIUJQNYAR-ZWNOBZJWSA-N	316.340	1.959	50	20	DDGD	
Cc1nnc(CCNC(=O)NNc2ccc(Cl)cn2)s1	852342004	CHWKONZRDAJLSP-UHFFFAOYSA-N	312.786	1.764	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cnn2cccnc12	751170976	VUUPZXNAKBOQEG-UHFFFAOYSA-N	314.257	1.865	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NC[C@H]1CCCCS1	753255647	NQFMHWGFSVHKGT-GFCCVEGCSA-N	308.407	1.240	50	20	DDGD	
O=C(CSc1ccc(O)cc1)NNC(=O)CC(F)(F)F	855000972	RITFXVISNCENST-UHFFFAOYSA-N	308.281	1.584	50	20	DDGD	
CC(C)(C)n1cc(C=NNC(=O)C(=O)Nc2ccccn2)cn1	758387688	QLJYMPYSKMZQPW-UHFFFAOYSA-N	314.349	1.122	50	20	DDGD	
C[C@@H]1CC[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)C[C@H]1C	852709506	WYUPFSBUJYBOSG-GMTAPVOTSA-N	308.357	1.989	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NN=C1CCOC1(C)C	853377633	ADYKZVUCEDBCLI-BXUZGUMPSA-N	320.393	1.559	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C[C@@H]2CCC(=O)NC2)ccc1C	857264315	VSNKBLYJQCRFRD-NSHDSACASA-N	319.361	1.141	50	20	DDGD	
CCCOCC(=O)NNC(=S)NCCc1cccs1	753077376	LROUFKXEOAOZQZ-UHFFFAOYSA-N	301.437	1.213	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNC(=O)c2ccnnc2)cc1	756742581	WCHJKMWHMPBHKW-UHFFFAOYSA-N	300.318	1.339	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H](C)c2cnn(C)c2)cc1	750234019	XZECEEZTFVKVBC-LBPRGKRZSA-N	315.377	1.092	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cnn(C2CCCCC2)c1C	854922335	GLEQXCCAJHCXOU-UHFFFAOYSA-N	309.439	1.778	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1c[nH]c2cccnc12	854388336	GOVQNBBGKYVXHJ-UHFFFAOYSA-N	320.349	1.113	50	20	DDGD	
COc1ccc(O)c([C@@H](C)NC(=O)NNC(=O)C2CCCC2)c1	753344861	OOZRDPBYCXVLDC-SNVBAGLBSA-N	321.377	1.982	50	20	DDGD	
Cc1ccc(C(=O)C(=O)NNC(=S)N[C@@H](C)C2CC2)cc1	855103631	SCYNDAPWXKBIFQ-JTQLQIEISA-N	305.403	1.472	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)C[C@@H]2CSCCS2)c1	751888265	DCWGFGAURMJTND-GFCCVEGCSA-N	321.427	1.558	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)C1SCCS1	855622844	NQWLIIBBMIAZNR-UHFFFAOYSA-N	303.340	1.983	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ncc(Cl)cn1)Cn1cccn1	856845627	PZWSTIHVMYWKRT-VIFPVBQESA-N	309.761	1.289	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2c[nH]nc2C)cc1OC	755374006	MAJMINHBRPMECV-UHFFFAOYSA-N	319.321	1.202	50	20	DDGD	
CC[C@@H](C)Oc1ccc(NC(=O)C(=O)NNC(=O)C(C)C)cc1	763822189	ZBSGNMJCGPAWSM-LLVKDONJSA-N	321.377	1.606	50	20	DDGD	
C[C@]1(CCNCc2cccc(B(O)O)c2)CC1(Cl)Cl	863889935	KPHIIPCHHUZGBJ-LBPRGKRZSA-N	302.010	1.430	50	20	DDGD	
CN(CC(=O)N1CCCC1)C(=O)[C@H](Br)C(C)(C)C	767009391	XTJPAZNFBQRTJZ-NSHDSACASA-N	319.243	1.877	50	20	DDGD	
CN(CC(=O)NNC(=O)C(C)(C)c1ccccc1)C1CCC1	863868566	FQIJDNIHKLYBHX-UHFFFAOYSA-N	303.406	1.596	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)C(C)(C)C(N)=O)cc2C1	767440509	LEPDMJZRUQZDPW-QMMMGPOBSA-N	323.418	1.145	50	20	DDGD	
COc1ccc(C(=O)NNc2ncnc3ccsc23)nn1	766678074	FWUYKHQWSXQBAO-UHFFFAOYSA-N	302.319	1.247	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1C[C@@H]2CCC[C@]2(CN)C1	866774758	QBIXIHGUXVTRSZ-AAEUAGOBSA-N	308.875	1.642	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)CN1CC(=O)N(C)C1=O	860479448	OQLWKRQWTGPJRM-UHFFFAOYSA-N	321.289	1.011	50	20	DDGD	
COc1ccc2c(c1)OC[C@H]2CC(=O)NNC(=O)CC(C)C	760270501	OGGUQHYGCLNKMY-LLVKDONJSA-N	306.362	1.755	50	20	DDGD	
Cc1nc([C@H]2CCOC2)sc1C(=O)NN=c1cc[nH]cc1	867284771	QFIARUNBFTZIIK-JTQLQIEISA-N	304.375	1.529	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NNC2=N[C@H]3C=C[C@H]2C3)n[nH]1	764796316	FRHRWUVRDHRILE-QWRGUYRKSA-N	323.356	1.677	50	20	DDGD	
OB(O)c1ccc(CNc2ccc(OCC(F)F)cc2)cc1	864023032	XWYBMIOYVFBJLS-UHFFFAOYSA-N	307.105	1.622	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)C2CCCC2)CCO[C@H]1C1CC1	768531934	BULRDMYXIDWCDW-BBRMVZONSA-N	309.410	1.712	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@@H]2C[C@H]2C(C)C)cc1	1117863166	IRNCZXQEXGDQSN-JSGCOSHPSA-N	305.378	1.931	50	20	DDGD	
CC(=O)Nc1ccccc1CC(=O)NNC(=O)NC1CCCC1	767755566	SGAUQJPWEMUKIP-UHFFFAOYSA-N	318.377	1.461	50	20	DDGD	
COCCOCC(=O)NN=C1C[C@@H](OCC(C)C)C1(C)C	872401763	ILMKXIXVANRHCX-CYBMUJFWSA-N	300.399	1.593	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)c1ccccc1)C1CCOCC1	776028982	GCNONLKJGHIQQF-HNNXBMFYSA-N	319.405	1.242	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(-n2nncc2C)cc1	879932500	BHVBDVVPIZYASG-UHFFFAOYSA-N	304.354	1.190	50	20	DDGD	
N#CSCCCNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1	773586243	SNDAZDVZKNEJNS-MRVPVSSYSA-N	309.313	1.118	50	20	DDGD	
Cc1ncsc1CCC(=O)NNc1nncc(N)c1Cl	1117998104	SJWUTOZJZAIWRK-UHFFFAOYSA-N	312.786	1.553	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cncc(OCC(F)F)c1	1116320460	KOWYULIKBFKHSK-UHFFFAOYSA-N	302.281	1.080	50	20	DDGD	
CC1(N2CCCC2)CCC(=NNC(=O)c2cccnn2)CC1	1119357667	JEEZCVYIKWKITD-UHFFFAOYSA-N	301.394	1.991	50	20	DDGD	
Cc1cc(=NNC(=O)NCCOCC(F)(F)C(F)F)cc[nH]1	875534766	FCJQFAQULLNDGR-UHFFFAOYSA-N	324.278	1.355	50	20	DDGD	
CCCCN1CCC(NC(=O)NN=c2cc[nH]c(C)c2)CC1	875190368	BGBNXJRZYJACJO-UHFFFAOYSA-N	305.426	1.703	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)CN1CCN(C)CC1	777477384	LOSVQSGKPBETDV-UHFFFAOYSA-N	313.405	1.234	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)Cc2cn(C)nc2C)c1	873777247	JZDFHOSGQKJIDL-UHFFFAOYSA-N	317.418	1.597	50	20	DDGD	
COc1cc(C(=O)NNc2ccc(C(F)(F)F)cn2)nn1C	775254602	RAZVYMRPQMMBHO-UHFFFAOYSA-N	315.255	1.599	50	20	DDGD	
O=C(CN1CCCC1=O)NN=CCCc1ccc2c(c1)CCO2	774340700	GHWZSBKJNJLDFJ-UHFFFAOYSA-N	315.373	1.279	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cccnn1)[C@H](C)c1ccccc1	883489533	NIRCAQHHCPCOJP-RYUDHWBXSA-N	313.361	1.613	50	20	DDGD	
COC(=O)c1cnc(C(=O)NNc2c(F)cccc2Cl)cn1	770196935	AXZXHRMMFFHMIL-UHFFFAOYSA-N	324.699	1.813	50	20	DDGD	
Cn1nc([C@@H]2CCCO2)cc1NC(=O)NNc1cnccn1	788724002	BFXZVHKLRWYHRB-JTQLQIEISA-N	303.326	1.210	50	20	DDGD	
CSc1cccc(NC(=O)C(=O)NNc2ncc(F)cn2)c1	784950216	ULWVUVQMOVJTGK-UHFFFAOYSA-N	321.337	1.419	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C/c1cn(Cc2cccnc2)nn1	786042824	LLBPOPSYOLWJGN-VGOFMYFVSA-N	317.374	1.411	50	20	DDGD	
O=S(=O)(CCCCCl)Nc1ccc(OCCO)cc1	788058393	MELMEWNIMPBWIW-UHFFFAOYSA-N	307.799	1.818	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C#N)cc1)[C@@]1(C)CCCO1	782135545	KLTCUWHKGZSHHX-MRXNPFEDSA-N	301.346	1.998	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1c(-c2cccnc2)noc1C	887149515	ZGVGFPFMPOPXNC-UHFFFAOYSA-N	312.329	1.610	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@@H](NC(=O)NNc2ncncc2Cl)C1(C)C	781017424	XMMMOBFETAHVLX-SZEHBUNVSA-N	313.789	1.816	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnn(C2CCCC2)c1CC	789845712	MBAZIENDQYZBDQ-UHFFFAOYSA-N	307.398	1.867	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@@H]1C[C@H](C)OC1=O)c1ccccc1	896343980	JKZFNBUJUFUSBV-WCFLWFBJSA-N	319.361	1.215	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1ccccc1C(=O)OC	780738820	ZOOCBYRVSWGHCM-AWEZNQCLSA-N	301.346	1.014	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)[C@H]1CN(Cc2ccccc2)CCO1	785463207	MYACVNXFPSANPQ-OAHLLOKOSA-N	319.405	1.150	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1ncc(C(C)(C)C)s1	789732066	LHGVHHWSFJCKEM-UHFFFAOYSA-N	312.395	1.183	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCCc2cccs2)ccn1	789909975	VODRMBMAQCEUCT-UHFFFAOYSA-N	304.375	1.638	50	20	DDGD	
COc1ccc(NNC(=O)Cc2c(C)n[nH]c2C)c([N+](=O)[O-])c1	787130959	DSCFSVCLXVTADN-UHFFFAOYSA-N	319.321	1.629	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccc(-n2cccn2)c1	798304270	DRXILEYGIKGQEG-UHFFFAOYSA-N	301.375	1.167	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=S)NC(C)(C)C)C1	899996063	FHTZQAWFHQKTIS-NXEZZACHSA-N	315.439	1.260	50	20	DDGD	
CC(C)n1cnc(C(=O)NNC(=O)NCCc2cccs2)c1	798931474	LHQKASWUEBEMRB-UHFFFAOYSA-N	321.406	1.712	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCc2c(C)noc2C)n1	792921838	RHRFUPFNTNLOKZ-UHFFFAOYSA-N	317.349	1.182	50	20	DDGD	
C[S@@](=O)c1ccc(CC(=O)NNC(=O)NC2CCCC2)cc1	797843859	VMYPFWXBQHQRPW-JOCHJYFZSA-N	323.418	1.240	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSCc1ccc2c(c1)OCO2	794540713	BLHRVYMVCHMLQE-UHFFFAOYSA-N	324.402	1.842	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cn3c(n2)CCCC3)cc1	799296824	IBOZSQLHHXWTNH-UHFFFAOYSA-N	312.373	1.857	50	20	DDGD	
C=C(CBr)CN1CCN(CC(C)(C)O)[C@H](C)C1	791534505	VZCMJYDOHPYXMR-GFCCVEGCSA-N	305.260	1.715	50	20	DDGD	
C[C@@H]1CCCC[C@H]1OCC(=O)NNC(=O)NCC(F)(F)F	798315373	SQGZYSKLEZJNHH-RKDXNWHRSA-N	311.304	1.474	50	20	DDGD	
Cc1nn(C)c(C=NNC(=O)c2cnccn2)c1Br	790291081	SANVXFSLDMJLND-UHFFFAOYSA-N	323.154	1.045	50	20	DDGD	
O=C(NCCc1ccccc1)NNc1ccc(-n2ccnc2)nn1	796664736	XMKQXUBROOGJQN-UHFFFAOYSA-N	323.360	1.531	50	20	DDGD	
COc1ccsc1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1321602917	WRCVZNOVOHVZGE-UHFFFAOYSA-N	320.374	1.433	50	20	DDGD	
COc1cc(F)cc(NC(=O)C(=O)NNC(=O)C2CCCC2)c1	1321154571	YKPYWTIOIJSKNL-UHFFFAOYSA-N	323.324	1.110	50	20	DDGD	
Cc1nc2ccc(S(=O)(=O)NNC(=O)NC(C)C)cc2o1	1324436641	XRENCDOKJGAZMK-UHFFFAOYSA-N	312.351	1.037	50	20	DDGD	
O=C(CC[C@H]1CCCNC1)NNc1nc(-c2ccccc2)no1	1328575287	USGGZWPZEHLEMT-GFCCVEGCSA-N	315.377	1.960	50	20	DDGD	
CC(C)c1ncc(C(=O)NNC(=O)c2ccc(Cl)nc2)[nH]1	1329377788	CDJWCGZCRAFCPW-UHFFFAOYSA-N	307.741	1.656	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H](C)n1ccnc1)c1ccccc1	1322711199	MVXCVWXFZXFJOF-OCCSQVGLSA-N	300.362	1.785	50	20	DDGD	
COc1cc(F)cc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	1326347145	ZLVPXTBTWPPAMY-PRHODGIISA-N	311.313	1.412	50	20	DDGD	
Cn1c(=O)cc(C(=O)NNC(=O)c2ccccn2)c2ccccc21	1248688281	TZPJXMMVARMRGB-UHFFFAOYSA-N	322.324	1.008	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1CCO[C@@H](c2ccncc2)C1	1333191312	QWTMEVOODFFRCO-NWDGAFQWSA-N	308.338	1.214	50	20	DDGD	
C[C@@H]1C[C@H]1CNC(=O)NNC(=O)c1cncn1-c1ccccc1	1337500075	LDLZKJKUQVIEMP-NEPJUHHUSA-N	313.361	1.472	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNC(=O)c1ccccc1Cl	1330863958	CWDJXWJDDFVOOE-NEPJUHHUSA-N	309.753	1.628	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H]2CCCCO2)cnn1C1CCCC1	1261264737	CIPVRFCCAQLHET-AWEZNQCLSA-N	320.393	1.637	50	20	DDGD	
Cn1ccc(NNC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)n1	1261384175	HZFDNHHCEDERFO-HNNXBMFYSA-N	300.318	1.035	50	20	DDGD	
COCc1nn(C)cc1C(=O)OC[C@@]1(C)C[C@@H]1Br	1345220696	TVIQPLXKHGDRQS-CMPLNLGQSA-N	317.183	1.897	50	20	DDGD	
Cn1cc(N2CC[C@H](NC(=O)C3CCC(Cl)CC3)C2=O)cn1	1345978234	LLVKGQBEJUKMLW-XIVSLSHWSA-N	324.812	1.439	50	20	DDGD	
O=C(NCCCNC1CC1)NNC(=O)c1ccccc1Cl	1348554889	HQANUUYHEYCKMF-UHFFFAOYSA-N	310.785	1.426	50	20	DDGD	
Cn1cc(C=NNC(=O)c2cncn2-c2ccccc2)c(O)n1	1347599588	BUADJNURPYBZRX-UHFFFAOYSA-N	310.317	1.075	50	20	DDGD	
CS[C@@H](CNC(=O)NNC(=O)C1CCNCC1)C(C)(C)C	1261376483	PPXHIXZIKCHAER-NSHDSACASA-N	316.471	1.094	50	20	DDGD	
N#Cc1ccc(F)c(CNC(=O)NNc2ncncc2F)c1	1342051360	IZXVTBUHLRPWDF-UHFFFAOYSA-N	304.260	1.453	50	20	DDGD	
O=C(COCc1ccccn1)NNC(=O)c1ccccc1Cl	1350281544	CPQDDGQRLLWTHR-UHFFFAOYSA-N	319.748	1.713	50	20	DDGD	
CO[C@H](CNC(=O)NNc1cccc(C(=O)O)c1)[C@H]1CCOC1	1606675155	BOJFXYSHUYQGRU-WCQYABFASA-N	323.349	1.062	50	20	DDGD	
Cc1cnc(C(=O)NNc2ccc(CC(=O)O)cc2)c(O)c1	1600617149	UTWKGVJSCBRXQN-UHFFFAOYSA-N	301.302	1.480	50	20	DDGD	
C[C@H]1CC[C@H](CNC(=O)NNc2ccc(C(=O)O)cc2F)O1	1609847406	FXMJLAVUXNSXEG-WCBMZHEXSA-N	311.313	1.718	50	20	DDGD	
COc1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)on1	1607147393	OOBBZMUJRWAIEP-UHFFFAOYSA-N	308.202	1.509	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NOCCCC(=O)O	1608009557	WYHFSOHWFDBKHB-UHFFFAOYSA-N	303.746	1.265	50	20	DDGD	
O=C(O)Cc1ccc(NC(=O)NNC(=O)[C@H]2CCCCO2)cc1	1602125005	LXNVERQUBAWYER-GFCCVEGCSA-N	321.333	1.036	50	20	DDGD	
Cc1cccc([C@H](C)C(=O)NNc2ccc(-c3nn[nH]n3)cn2)c1	1605906727	RCKWZYAZTQKNNF-NSHDSACASA-N	323.360	1.817	50	20	DDGD	
O=C(NC[C@H]1CCC=CO1)NNc1cccc(C(=O)O)c1F	1608436341	UZJCHKOFUILBBL-SECBINFHSA-N	309.297	1.843	50	20	DDGD	
Cc1c(NNC(=O)CN2CCSC2=O)cccc1C(=O)O	1600052309	HEXDJGJHTFZMPK-UHFFFAOYSA-N	309.347	1.305	50	20	DDGD	
CSCC(=O)NNc1cc(C(=O)O)ccc1Br	1610381581	UYMUNZDEVFTQQV-UHFFFAOYSA-N	319.180	1.953	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C[C@H]1CCCO[C@H]1c1cnn(C)c1	1552450234	UVPOMFACOKXSBM-BXUZGUMPSA-N	316.365	1.335	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)cn1)[C@@H]1CN2CCC[C@@H]2CO1	1550194169	RQWUXPQLEYKGHV-OLZOCXBDSA-N	308.769	1.048	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)COC(C)C)C2	1845162570	AODJUWYODKTVOP-GFCCVEGCSA-N	316.829	1.632	50	20	DDGD	
Cc1[nH]c(C(=O)NNC(=O)NC2CCCC2)c(C)c1C(=O)O	1599953779	KOCKXTOZVGCHDJ-UHFFFAOYSA-N	308.338	1.216	50	20	DDGD	
COCCN(CC(C)C)NC(=O)[C@@H]1CCC[C@H](C(=O)O)C1	1599235390	YGXWTQBUPVONCX-OLZOCXBDSA-N	300.399	1.513	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cccnc2C(=O)O)cc1	1594373389	XSMPPUDMGXJPHD-UHFFFAOYSA-N	314.301	1.170	50	20	DDGD	
CCOC[C@H](C(=O)O)N(C)C(=O)[C@@H](Br)C(C)(C)C	1596867539	ADLKZEXRSYGFFU-RKDXNWHRSA-N	324.215	1.744	50	20	DDGD	
O=C(O)Cc1cccc(NC(=O)NNC(=O)c2ccoc2)c1	1595131827	NJRTYBHGVFAAMG-UHFFFAOYSA-N	303.274	1.373	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H]1C(=O)NNc1ccnc(C(F)(F)F)c1	1595182391	QRIHXUUUDJQTIU-HTQZYQBOSA-N	303.240	1.654	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1)c1coc(-c2nn[nH]n2)c1	1593163817	JQJQROKJZRNTSC-UHFFFAOYSA-N	304.697	1.870	50	20	DDGD	
COc1cc(C=NNC(=O)N=c2cc[nH]cc2)ccc1C(=O)O	1776077792	AXKHPTPMKPZTBT-UHFFFAOYSA-N	314.301	1.366	50	20	DDGD	
COc1cc(C(=O)O)ccc1C=NNC(=O)[C@H]1CCO[C@@H]1C	1776082278	GVYLYOZZZDSDAK-SKDRFNHKSA-N	306.318	1.269	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NN=Cc1ccc(C(=O)O)nc1	1776098370	IOLIDBKTRZDFRR-GFCCVEGCSA-N	304.350	1.103	50	20	DDGD	
O=C(CC(F)(F)F)NN=Cc1cc(Cl)ncc1C(=O)O	1776036455	NREUODZYJYXXGX-UHFFFAOYSA-N	309.631	1.836	50	20	DDGD	
CCOCC(=O)NN=Cc1c(C(=O)O)n(C)c2ccc(F)cc12	1776043946	RCTLTUQZEIVFKO-UHFFFAOYSA-N	321.308	1.502	50	20	DDGD	
CC[C@H](NC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl	1796805877	CGKQMNHJDYXDON-OSUNSFLBSA-N	319.808	1.157	50	20	DDGD	
Cc1cc(NNC(=O)c2cccc(C3OCCO3)c2)nc(C)n1	162004897	GUZXLKYSFFXENE-UHFFFAOYSA-N	314.345	1.896	50	20	DDGD	
CC(C)CCOc1cccc(NC(=O)NNC(=O)CN(C)C)c1	158472054	OWLSOUBJGNRKLK-UHFFFAOYSA-N	322.409	1.826	50	20	DDGD	
Cn1cc(C(=O)NNc2ncccn2)c(-c2cccs2)n1	152953873	FOWQNNHIVZLYFE-UHFFFAOYSA-N	300.347	1.696	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2ccccc2OC(F)F)[nH]n1	152993618	FJBKJOKSMLWSSH-UHFFFAOYSA-N	324.287	1.323	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cccc(Cl)c1F	152473631	XAYGPQKTFHMHNQ-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
O=C(Cn1c(=O)cnc2ccccc21)NNc1cccc(F)c1	155009602	PSXWAIFNNQMGRY-UHFFFAOYSA-N	312.304	1.679	50	20	DDGD	
O=S(=O)(NC[C@@H](O)C1CCC1)c1ccc(CCl)cc1	315832584	MJGXNUYHSQSVBL-CYBMUJFWSA-N	303.811	1.865	50	20	DDGD	
CC(CCN1C(=O)c2ccccc2C1=O)=NNC(=O)N(C)C	730947040	ZZRVAVYBODMABR-UHFFFAOYSA-N	302.334	1.320	50	20	DDGD	
C[C@@H](Cl)C(=O)N[C@@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C	1887504307	ONJQLDVKCFQZBK-RQJHMYQMSA-N	312.761	1.685	50	20	DDGD	
CCN(CC)[C@H](C(=O)NNC(=O)[C@@H]1CCCO1)c1ccccc1	104849685	LSKZDWAKJNPMRD-GJZGRUSLSA-N	319.405	1.396	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)[C@H]1CC(=O)N(C2CCCC2)C1	118499508	WYYDSTLZDWINPN-VIFPVBQESA-N	323.784	1.364	50	20	DDGD	
C[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)COc1ccc(F)cc1	105310506	DNLPWLSTGALCKI-MFKMUULPSA-N	309.341	1.724	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1cccc2cnccc12	178498508	QJPMBKZTQTXFSG-UHFFFAOYSA-N	302.334	1.814	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)[C@H]2CCCO2)cc1OC	28617900	RWOSHSLPSXNPPR-CYBMUJFWSA-N	322.361	1.424	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2oc(C)nc2C)c1	175186650	DDYLCKXFJSOGRW-UHFFFAOYSA-N	318.333	1.173	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@@H]2C[C@H]2C)cc(OC)c1OC	26955502	HRVICVCNRLKNAK-PSASIEDQSA-N	308.334	1.129	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CN(C)C)c(C)n1C1CCCCC1	113426582	IDNMHHLQFFICPV-UHFFFAOYSA-N	320.437	1.933	50	20	DDGD	
CC(=O)N1CCc2cc(C(=O)NNC(=O)c3ccccn3)ccc21	21001308	GGXCBWZVLUOWPY-UHFFFAOYSA-N	324.340	1.065	50	20	DDGD	
N#Cc1c[nH]c(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)c1	177494241	AIODYXBUKNVNRH-UHFFFAOYSA-N	321.296	1.616	50	20	DDGD	
CCNC(=O)CCC(=O)NNc1ccc([N+](=O)[O-])cc1Cl	125800156	MIFHXHGAUXJJOX-UHFFFAOYSA-N	314.729	1.608	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)N2CCc3ccccc3C2)ncn1	172274395	ITMCTAATWMMING-ZDUSSCGKSA-N	311.389	1.675	50	20	DDGD	
CCS[C@@H](C(=O)NNC(=O)NCC(F)(F)F)C(C)C	67193581	IBPRHWYFNPZMJF-SSDOTTSWSA-N	301.334	1.657	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NC[C@@H](C)C#N	182862294	JCYLVGCPSPRKAB-NSHDSACASA-N	304.350	1.118	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1ccc2c(c1)CCO2	121073527	JPDMTDQZARXVKS-UHFFFAOYSA-N	314.316	1.764	50	20	DDGD	
O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)NNc1ccccn1	181173196	RDBQJQIYIYTJBK-UHFFFAOYSA-N	311.345	1.717	50	20	DDGD	
CCOC(=O)[C@H](CC(C)C)NNC(=O)c1ccc(C#N)cc1	180979101	PFTFHGCPVRGFDI-AWEZNQCLSA-N	303.362	1.770	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2c[nH]nc2C2CC2)c1	186920160	DDXKFTSHPNCFSJ-UHFFFAOYSA-N	313.361	1.428	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccccc2F)CC1)N1CCOCC1	188446157	YXJUUZGRVVIMER-UHFFFAOYSA-N	321.352	1.221	50	20	DDGD	
C[S@@](=O)CCCNS(=O)(=O)c1ccc(CCCl)cc1	134730985	ZYFJDNBMJWAOAG-SFHVURJKSA-N	323.867	1.515	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCc1nc(C2CCCC2)no1	135365314	RVGFSEAWXCEDSN-UHFFFAOYSA-N	323.422	1.341	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)C(=O)Nc2cccn(C)c2=O)c1	131992440	AOTYSLNNPYFFBT-UHFFFAOYSA-N	314.345	1.084	50	20	DDGD	
CC(C)C[C@H](C)NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	133390271	HNXMAAHFORTDND-JTQLQIEISA-N	308.338	1.973	50	20	DDGD	
C=C[C@@](C)(CC)C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1	134916801	DSTKYCOGMQBYJU-IOASZLSFSA-N	311.426	1.235	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)COc1cccc(C(F)(F)F)c1	190073409	VEBWJTGBCXGPDW-UHFFFAOYSA-N	320.267	1.003	50	20	DDGD	
CC(C)c1ccc(OCCC(=O)NNC(=O)C(C)(C)O)cc1	190071467	UWHICPPWMQVWKZ-UHFFFAOYSA-N	308.378	1.497	50	20	DDGD	
CCc1ccc(OCC(=O)NNc2nc3ccccn3n2)cc1	191907143	WWKVDOJHHSWKQF-UHFFFAOYSA-N	311.345	1.814	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2ccc(C(N)=O)cc2)c1	130913253	TVUNPCPELASDBD-UHFFFAOYSA-N	303.293	1.690	50	20	DDGD	
COC(=O)CCCC(=O)NNc1nc(C(F)(F)F)cs1	131389094	GMQDGKAEZULTOF-UHFFFAOYSA-N	311.285	1.948	50	20	DDGD	
COc1cccc(CNC(=O)NNc2ccccn2)c1OC	80081043	BEZJJHXKZXTTOL-UHFFFAOYSA-N	302.334	1.925	50	20	DDGD	
CC(=O)NNC(=O)c1ccc(F)cc1I	194492517	VKGIRHOVKMPWGN-UHFFFAOYSA-N	322.077	1.211	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cccc(Cl)c1Cl	194903971	CDSPJYFLEYDQJA-UHFFFAOYSA-N	318.160	1.680	50	20	DDGD	
O=C(CCOc1ccc(Cl)cc1)NNC(=O)c1ccncc1	192456445	SMDVZTMWNDKAAD-UHFFFAOYSA-N	319.748	1.965	50	20	DDGD	
Cc1ccc(NNC(=O)NCC(C)(C)c2ccncc2)nn1	92363787	YNNORTDMCUIEHY-UHFFFAOYSA-N	300.366	1.784	50	20	DDGD	
CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)NNc1cccnn1	92542594	YMJYRFRQPSKPHE-UHTWSYAYSA-N	307.398	1.942	50	20	DDGD	
CC(=O)NNC(=O)[C@H]1CCCN1c1ncnc2sc(C)cc12	269333464	YNYJKYWTKUGDDZ-LLVKDONJSA-N	319.390	1.136	50	20	DDGD	
C[C@@H]1CCCC[C@H]1NC(=O)NNc1nc(O)c2cnn(C)c2n1	269288463	CNQHHQLJECYNSD-PSASIEDQSA-N	319.369	1.274	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CCC(=O)NNc1ccc(Cl)nc1	266555048	TUJWYPGNCXDUBB-UHFFFAOYSA-N	324.728	1.682	50	20	DDGD	
CC(C)N1C[C@H](NC(=O)NNc2ccccc2Cl)CC1=O	267532373	AKBJVCRXOUYGBI-SNVBAGLBSA-N	310.785	1.975	50	20	DDGD	
C[C@H](CO[C@H]1CCOC1)NC(=O)NNc1c(F)cccc1F	267847678	DKPAOJBMWPLHRH-ZJUUUORDSA-N	315.320	1.785	50	20	DDGD	
O=C(CNC(=O)C1CCCCC1)NNc1cccc([N+](=O)[O-])c1	269593660	FITGOSDEEFGXPY-UHFFFAOYSA-N	320.349	1.734	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCc1ccccc1[N+](=O)[O-]	266636710	XMWNCAWZAKVMKE-UHFFFAOYSA-N	308.338	1.514	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H]2CC23CCOCC3)cc1	364358892	MMRQWYDTPGRQRD-CQSZACIVSA-N	317.389	1.371	50	20	DDGD	
CN(C)c1noc(CCC(=O)NNc2ccc([N+](=O)[O-])cc2)n1	275434876	CZESNQVELWVGDU-UHFFFAOYSA-N	320.309	1.120	50	20	DDGD	
C[C@H]1CCCN(C(=O)C(=O)NNc2ccc(C#N)c(Cl)c2)C1	278322681	DKEZITBBMWKXBH-JTQLQIEISA-N	320.780	1.913	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC(=O)N(C2CC2)C1	279568685	LMVVYOGJGFGLBJ-UHFFFAOYSA-N	310.785	1.143	50	20	DDGD	
CCc1ccc(S(=O)(=O)NNC(=O)C2CCC2)cc1CC	270234022	PGZDELAWLFSZBV-UHFFFAOYSA-N	310.419	1.921	50	20	DDGD	
O=S(=O)(CBr)N[C@H]1C[C@@H]1Cc1ccccc1	272806117	MEWWLUWUPQXCRG-QWRGUYRKSA-N	304.209	1.889	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2ccc(C)nn2)[C@@]12CCCO2	273743964	VANWFGWBUOOAMB-JMSVASOKSA-N	321.381	1.138	50	20	DDGD	
CCc1nc([C@@H](C)NC(=O)c2c(C)nn(CCCl)c2C)n[nH]1	270979373	CTUUVTYRVXMDTC-SECBINFHSA-N	324.816	1.910	50	20	DDGD	
CC(C)[C@H]1C[C@H](NC(=O)NNC(=O)Cc2cccnc2)CCO1	271535748	OVIKCOXADPWYQU-ZIAGYGMSSA-N	320.393	1.158	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc([N+](=O)[O-])s1	271240170	HJUUZMTUJOMOEQ-UHFFFAOYSA-N	320.421	1.128	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(OCC)cc1C	276212665	OINMEKZUTBHIPV-UHFFFAOYSA-N	322.365	1.025	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2cnn(CCF)c2)c1	287307669	NWTDQDYRWCRHPS-UHFFFAOYSA-N	320.324	1.001	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(OC(F)F)c(OC)c1	286266434	HWVKCPHAPABTFP-UHFFFAOYSA-N	304.249	1.640	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1occ2c1CCOC2	376497922	QFFDJCIIRDTRMO-UHFFFAOYSA-N	314.345	2.167	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCCC1(O)CCC1)c1ccccc1	285278859	FPXOOIPLOMAVOO-UHFFFAOYSA-N	319.405	1.600	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(OC[C@H]2CCCO2)cc1	286424730	QOLQZGBTLAGAFQ-CYBMUJFWSA-N	308.334	1.587	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)NCC(F)(F)F)c1ccccc1	281228322	MSXDFCLGKUEUDC-VIFPVBQESA-N	305.256	1.267	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H](C)C(F)(F)F	288923992	SLLLQTCAJWSVKR-SSDOTTSWSA-N	305.256	1.590	50	20	DDGD	
CN(C(=O)CNC(=O)NNc1ncccc1F)C1CCCCC1	286552269	DFCOUVSFOPHSEC-UHFFFAOYSA-N	323.372	1.638	50	20	DDGD	
Cc1nc(O)c(Br)cc1C(=O)NNC(=O)C1CC1	285116688	VDMCYYQQWPVANY-UHFFFAOYSA-N	314.139	1.029	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@]23CC[C@@H](CC2=O)C3(C)C)n1	295505156	UKTFMMIMDNUKBD-MEDUHNTESA-N	302.378	1.932	50	20	DDGD	
COc1ccnc(NNC(=O)C[C@@H]2COc3ccccc3O2)n1	294469949	SRGDDHWCOIQSAN-SNVBAGLBSA-N	316.317	1.158	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNC(=O)c2ccccc2C)c1C	291990374	KXAULOWCXBEPCS-UHFFFAOYSA-N	314.389	1.832	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H]2CCc3nnn(C)c3C2)cc1	294253355	HFIXXZVLRPJLRF-LLVKDONJSA-N	315.377	1.462	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1conc1C1CC1	290794208	SFXHJSZVFULVLT-UHFFFAOYSA-N	311.338	1.102	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC1(F)F)c1cccc(Br)c1	294850969	GJYRJUZRRYRJIP-QMMMGPOBSA-N	319.105	1.865	50	20	DDGD	
O=C(NC[C@H]1COc2ccccc21)NNC(=O)[C@H]1CCCCO1	297050126	KWWCMMUNIFCJPW-SMDDNHRTSA-N	319.361	1.062	50	20	DDGD	
CCCCOc1cc(OC)ccc1C(=O)NNc1nnc[nH]1	298383880	MRFSDWMKUDJXFY-UHFFFAOYSA-N	305.338	1.749	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1ccc2c(n1)CCC2	296787331	KHVCGNGFHLQEBI-GFCCVEGCSA-N	304.350	1.292	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@H]1CCO[C@H](C2CC2)C1	298242666	JGKSLEAPWWGEEO-JQWIXIFHSA-N	312.320	1.944	50	20	DDGD	
CCCc1nc(C(=O)NNC(C)=O)nn1-c1ccccc1Cl	299674352	ZUHNRVMWHAHRDV-UHFFFAOYSA-N	321.768	1.654	50	20	DDGD	
CCOC(=O)C1(CC(=O)NNC(=O)Nc2ccccc2)CCC1	801992147	APNRWFBZTSRJSM-UHFFFAOYSA-N	319.361	1.963	50	20	DDGD	
Cc1nnc(CC(=O)NNc2ccc(OC(F)(F)F)cc2)o1	292095020	IXSOZPXLBUACCP-UHFFFAOYSA-N	316.239	1.962	50	20	DDGD	
COc1cc(CNC(=O)NNC(=O)[C@@H]2CCCCO2)ccc1C	296985440	CKHYUWPVPHDXEW-ZDUSSCGKSA-N	321.377	1.403	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(F)c(Br)c1	297199004	VWNXZXOIIQHRNY-UHFFFAOYSA-N	305.147	1.811	50	20	DDGD	
O=C(CCc1cnn(-c2ccccc2)c1)NNC(=O)CC1CC1	294263884	ULRSNGGXMCFZHS-UHFFFAOYSA-N	312.373	1.752	50	20	DDGD	
O=C(NN=C1COc2ccc(Br)cc21)C(F)F	814902232	PDDYZFPQGFWTQL-UHFFFAOYSA-N	305.078	1.927	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc(S(C)(=O)=O)s1	817717745	AIESPSITWHRWJP-UHFFFAOYSA-N	318.420	1.349	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C1(c2cccc(Cl)c2)CC(=O)C1	810854907	SKQPCWBSLVSICE-UHFFFAOYSA-N	323.780	1.633	50	20	DDGD	
CSc1nnc(CNC(=O)NNc2ncncc2F)s1	814322994	WEACPXAGIUBLED-UHFFFAOYSA-N	315.359	1.015	50	20	DDGD	
COc1cc(C#N)ccc1OCCCC(=O)NN(C)C1CC1	819647976	VEIPQIOAVZGKKT-UHFFFAOYSA-N	303.362	1.851	50	20	DDGD	
CN(C)CC(=O)NN=Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-]	811641265	USHRDSBHDGJQGW-UHFFFAOYSA-N	319.148	1.913	50	20	DDGD	
CC(C)(C)c1cnc(C=NNC(=O)CN2CCCC2=O)s1	814761121	OYWCYSLMCYLIRB-UHFFFAOYSA-N	308.407	1.513	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1ccc2c(c1)OCCO2	813470291	CIEHGHBUCKUMHA-UHFFFAOYSA-N	316.317	1.263	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H]2CCN(C)C2)c1C	729283012	KMDJKAKOGSLEFA-KGLIPLIRSA-N	319.405	1.170	50	20	DDGD	
CCC1(CC)[C@@H](OC)C[C@H]1N(C)CC(=O)NNC(=O)C(C)C	828384275	HIKFWORPOLNIEA-OLZOCXBDSA-N	313.442	1.315	50	20	DDGD	
C[C@@H](C#N)Oc1ccc(C=NNC(=O)CN2CCCC2=O)cc1	727684560	ZZPWCLKBMMTQLU-LBPRGKRZSA-N	314.345	1.050	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H]2CO[C@@H](C)C2)cc1F	828439582	HUZBSPPQUFEOPI-WPRPVWTQSA-N	311.313	1.416	50	20	DDGD	
CC(C)C[C@@]1(CO)CCCN1C(=O)/C(C#N)=C\c1cnn(C)c1	491103737	LUCAGLOTRXXYFO-IJZIWBRISA-N	316.405	1.727	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccc(N2CCOC2=O)cc1	496260838	DTWMPOXXZMJCMG-UHFFFAOYSA-N	317.280	1.329	50	20	DDGD	
CCn1cc(C=NNC(=O)CCCNC(=O)OC(C)(C)C)cn1	494297883	GJLMPZIWJOIIND-UHFFFAOYSA-N	323.397	1.658	50	20	DDGD	
CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NNc1cccnn1	825940746	GYMIOHBJECRVDF-NSHDSACASA-N	307.398	1.497	50	20	DDGD	
CCOC(=O)CN(C(=O)/C(C#N)=C\c1cnn(C)c1)C(C)C	491010310	MAFZUNHFXIQOKI-MLPAPPSSSA-N	304.350	1.127	50	20	DDGD	
COc1ccc2cc(C(=O)NN(C)[C@H](C)CO)c(C)nc2c1	823983578	XHBCDRWANAYSDP-SNVBAGLBSA-N	303.362	1.509	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1ccc(OC2CC2)cc1	829646750	XCTWTSKFKZYUDE-UHFFFAOYSA-N	312.391	1.583	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCC1(NC(=O)OC(C)(C)C)CCC1	490839502	DDXAJLHUBAPQDV-ZRDIBKRKSA-N	323.393	1.994	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)c2cccc(C#N)c2)c(O)n1	728828160	IVLLGUFSTITEQD-UHFFFAOYSA-N	310.313	1.351	50	20	DDGD	
C[C@@H]1SCC[C@@H]1NC(=O)NNc1ccc(-n2cccn2)nn1	828531262	IMQBDSKIZYPVGF-UWVGGRQHSA-N	319.394	1.182	50	20	DDGD	
CC(=O)N[C@H](CC(=O)NNC(=O)c1ccc[nH]1)c1cccs1	822066442	NAFVCBXXWYGVES-LLVKDONJSA-N	320.374	1.105	50	20	DDGD	
CCN(CCO)NC(=O)C(C)(C)Oc1ccc(Cl)cc1	823841276	GIXYPONGCAPLRE-UHFFFAOYSA-N	300.786	1.843	50	20	DDGD	
COc1ccc(C2(CNCc3ccc(B(O)O)o3)CCC2)cc1	585034930	NOBFZSGBNPJGPM-UHFFFAOYSA-N	315.178	1.180	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)C1(C(F)(F)F)CC1	826446495	NVPLUUBGDVRUIM-UHFFFAOYSA-N	312.255	1.652	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1	824070743	BHUBOTGMDMBMPA-UHFFFAOYSA-N	321.316	1.205	50	20	DDGD	
CN(C)N(C(=O)/C=C/C1CCCC1)[C@H]1CCS(=O)(=O)C1	493436262	SXXPFZSWBBHACF-GWJCSSMESA-N	300.424	1.225	50	20	DDGD	
COC[C@H](NC(=O)OC(C)(C)C)C(=O)NN(C)c1ccccc1	495773050	BSLQZKFTSPPZDN-ZDUSSCGKSA-N	323.393	1.694	50	20	DDGD	
C=CCOc1ccc(/C=C\C(=O)NN(C)[C@@H](C)CO)cc1OC	823988429	SCDHWTGIBIGBQY-JWJUJFCLSA-N	320.389	1.617	50	20	DDGD	
CSCc1nc2ccccc2n1CC(=O)NN(C)[C@H](C)CO	823983106	LBJUWQTYSUAROY-LLVKDONJSA-N	322.434	1.243	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)c1C	905099441	WXBCXQSOHDNVEX-LEWSCRJBSA-N	317.414	1.846	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccccc1O[C@@H]1CCOC1	494659187	NEBAYFFAKCBWQC-SNVBAGLBSA-N	309.322	1.637	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)NNc1cnccn1	495562470	YUXCVAYXAVAQFE-LLVKDONJSA-N	321.381	1.709	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(C)cc(C)c1	730433280	KCWKLRPPYASKHR-ZDUSSCGKSA-N	308.403	1.578	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@](C)(CO)C2CCCCC2)cn1	491161121	NSIVZIDIIMUGPX-XMCSSRMMSA-N	316.405	1.775	50	20	DDGD	
CC[C@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)C(OC)OC	834418641	GGGPPNKZXFPFGN-TZIYXEQSSA-N	304.346	1.813	50	20	DDGD	
CCO/C=C\C(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	493117489	CRRQZQHKIISZMI-DMEOUFDRSA-N	312.753	1.805	50	20	DDGD	
CC[C@@]1(C)CCCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1	584959696	DAPRKMYRPOLDOC-INIZCTEOSA-N	307.174	1.548	50	20	DDGD	
COC(=O)C[C@@H]1CCCN1C(=O)[C@]1(C)C[C@H]1Br	907081627	GTKPRJIEPAEQNY-YGOYTEALSA-N	304.184	1.714	50	20	DDGD	
COC(=O)c1cc(NNC(=O)N[C@H](C)C[C@H](C)N)ccc1F	831223720	HNYITWVVKFSWRB-DTWKUNHWSA-N	312.345	1.364	50	20	DDGD	
Cn1cc(CCC=NNC(=O)CCN2CCCCCC2)cn1	834931609	MXKPIBBWPRWNGF-UHFFFAOYSA-N	305.426	1.721	50	20	DDGD	
CN(CC(=O)OC(C)(C)C)C(=O)[C@]1(C)C[C@@H]1Br	906490051	XWQNMDIHDQFBIL-QPUJVOFHSA-N	306.200	1.960	50	20	DDGD	
COc1ccc(NNC(=O)C2CN(C3CCCCC3)C2)nc1	837564865	NYJWPYREDHGJQL-UHFFFAOYSA-N	304.394	1.798	50	20	DDGD	
CC[C@H]1CCC[C@@H]1CNC(=O)NNC(=O)Cc1cccnc1	836278597	JGUSWRGKORGRIT-UONOGXRCSA-N	304.394	1.781	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2CC[C@]21c1ccccc1	585010456	RLLIKLLXGRMFBP-APWZRJJASA-N	321.185	1.518	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2CCN3CCC[C@H]3C2)C[C@H]1Br	906239588	KUBYVWSTPBZACL-XZUYRWCXSA-N	301.228	1.903	50	20	DDGD	
O=C(CCCOc1ccc2c(c1)CCC2)NNc1nc[nH]n1	839770747	ZAJDKBAADDYTAS-UHFFFAOYSA-N	301.350	1.596	50	20	DDGD	
OB(O)c1cccc(CNCCSCc2ccccc2F)c1	585016497	OBTFJNCNQLBKLK-UHFFFAOYSA-N	319.210	1.529	50	20	DDGD	
CC(C)NC(=O)CNC(=O)NNc1cc(C(F)(F)F)ccn1	836200931	SRJMSLOCRSKMHT-UHFFFAOYSA-N	319.287	1.251	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2cccc(O)c2O)ccn1	731561642	QEIBXVIDUAIPAH-UHFFFAOYSA-N	300.318	1.323	50	20	DDGD	
O=C(NNc1cccc2c1CCCC2)c1ccn2nnnc2c1	830801862	ODXBOVGHTXZISJ-UHFFFAOYSA-N	308.345	1.760	50	20	DDGD	
OB(O)c1cccc(CNCCSCc2ccsc2)c1	585019066	ANQBTQVDHSYZRQ-UHFFFAOYSA-N	307.249	1.451	50	20	DDGD	
COc1cccc(NNC(=O)NCc2nn(C)cc2Cl)n1	836581873	FJRLUQTZMCIIMY-UHFFFAOYSA-N	310.745	1.303	50	20	DDGD	
CCOC(=O)[C@H](C)NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	733139844	XERQRXMGUXPAJX-FYTLYHSASA-N	314.345	1.180	50	20	DDGD	
CCn1cc(C=NNC(=O)Cc2nc3ccccc3n2C)c(C)n1	901141793	LWQVUXQTEPBOLK-UHFFFAOYSA-N	324.388	1.791	50	20	DDGD	
CCN(CC)CCNC(=O)NNC(=O)Nc1ccc(OC)cc1	837312481	QJMANZMKVWVGHO-UHFFFAOYSA-N	323.397	1.373	50	20	DDGD	
CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)[C@@H]1CCOC1	735448109	OYTGJTRQSKLULE-GFCCVEGCSA-N	300.322	1.009	50	20	DDGD	
CCn1cc(C=NNC(=O)Cn2c(C)nc3ccccc32)cn1	732527637	DJRYUTCUZCCRER-UHFFFAOYSA-N	310.361	1.711	50	20	DDGD	
C[C@H](COc1cccc(F)c1)NCc1ccc(B(O)O)cc1F	585018616	NGDLTVWYBDUEPB-LLVKDONJSA-N	321.132	1.202	50	20	DDGD	
OB(O)c1cccc(CN[C@@H](CCc2ccccc2)C(F)F)c1	585049233	MAUSOHVKNVGFKO-INIZCTEOSA-N	319.160	1.723	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H](NC(=O)NNc2cc(F)c(F)cc2F)C1	838728318	OMJMYJMGXRDMRN-RQJHMYQMSA-N	316.283	1.384	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H](O)C(C)(C)C	735836151	CYWSPAUNBAULMP-JOYOIKCWSA-N	312.341	1.147	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(C)(C)Oc1ccc(OC)cc1	831857690	HQBUTPOWOZYOOM-UHFFFAOYSA-N	309.366	1.545	50	20	DDGD	
O=C(NC[C@@H]1CCC(F)(F)C1)NNC(=O)[C@H]1CCCCO1	836439554	XXIIIDYRSPHARQ-NXEZZACHSA-N	305.325	1.321	50	20	DDGD	
CC(=O)NNC(=O)c1c[nH]cc1-c1ccc2c(c1)OCCO2	743285417	NAUKMQFFUXZHBS-UHFFFAOYSA-N	301.302	1.234	50	20	DDGD	
CC(C)CCn1nccc1NC(=O)NNC(=O)[C@H]1CCCCO1	836545585	QZQAIADXBLKHRP-GFCCVEGCSA-N	323.397	1.651	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cnn(-c2ccccc2F)c1	746823084	XXVVRXBDDISLFP-UHFFFAOYSA-N	304.325	1.819	50	20	DDGD	
C[C@H]1CN(c2ccc(C(=O)NN(C)C[C@@H](C)O)cc2)C[C@@H](C)O1	910184554	SZNHCGUUEJZZFU-MCIONIFRSA-N	321.421	1.258	50	20	DDGD	
C[C@H]1CC(=NNC(=O)[C@H]2COc3ccccc3O2)CCN1C	741452864	IMWVSABWASMOEP-XHDPSFHLSA-N	303.362	1.413	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1cccc(Br)c1	840999569	LBCHKJLLGAGTRE-UHFFFAOYSA-N	315.171	1.341	50	20	DDGD	
COC(=O)[C@H](CNC(=O)[C@@]1(C)C[C@H]1Br)CC1CC1	911889329	HRUBSXFIXOSZOS-CWSCBRNRSA-N	318.211	1.865	50	20	DDGD	
CC1(C)CCC[C@@H]1C(=O)NNc1ccccc1S(N)(=O)=O	842262488	VQGFGMPXJIVFDQ-SNVBAGLBSA-N	311.407	1.603	50	20	DDGD	
O=C(Cn1nnc2c1CCCC2)NNc1cccc([N+](=O)[O-])c1	847599527	GYJNMLGXBZMOSI-UHFFFAOYSA-N	316.321	1.208	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccc(OCC#N)cc1	842559485	UWHUSARYCGTTHX-IUODEOHRSA-N	301.346	1.854	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](C)NC(=O)C1CCCCC1	840572352	SHAOAODSRJMGTP-SNVBAGLBSA-N	321.381	1.013	50	20	DDGD	
CCSc1ccccc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843645382	HNWUGRVNAMRQAL-MNOVXSKESA-N	308.403	1.985	50	20	DDGD	
C[C@H](CN)NC(=O)NNC(=O)CSc1ccc(Cl)cc1	841969844	RKVFGJFOVXUZCY-MRVPVSSYSA-N	316.814	1.110	50	20	DDGD	
CCC(=NNC(=O)c1sc(N)nc1C)c1c(C)nn(C)c1C	741847621	NYPMOSSCZDQXGM-UHFFFAOYSA-N	320.422	1.928	50	20	DDGD	
O=C(N[C@@H]1CCCNC1)[C@@]12CC[C@@H](C[C@@H]1Br)C2	846663444	JFIACWKSWHMAGL-SRRSOLGSSA-N	301.228	1.808	50	20	DDGD	
O=C(NNC(=O)c1ncccn1)c1cc(C2CCCCC2)[nH]n1	841446559	UTIXTHILJIAEGV-UHFFFAOYSA-N	314.349	1.322	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NCCN2CCNCC2)cc1	841920042	GZMIHXRWILLQNO-UHFFFAOYSA-N	319.453	1.515	50	20	DDGD	
Cc1cc(O)cc2c1C(=O)C(=NNC(=O)c1ccc(N)cc1)O2	915935082	KAJZQYRAMKRVKF-UHFFFAOYSA-N	311.297	1.601	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cnc(S)n1-c1ccc(F)cc1	910173601	NPLXLNZFYQBNLC-SECBINFHSA-N	324.381	1.258	50	20	DDGD	
C[C@H](Sc1nncn1C)C(=O)NNc1ccc(C#N)cc1	748106202	LAIFMLVRMDETRR-VIFPVBQESA-N	302.363	1.311	50	20	DDGD	
CCC(CC)(CO)C(=O)NNc1ccc(C(F)(F)F)nn1	847610276	WIMLBCKHTUZTNY-UHFFFAOYSA-N	306.288	1.737	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2CCCN3CCCC[C@H]23)n1	847442004	FZFVIVVORYTSFU-UONOGXRCSA-N	318.425	1.736	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CCc1ccccc1O)c1ccco1	743338101	INPVHQFMQRXBBR-LLVKDONJSA-N	302.330	1.869	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cn(CCC(C)C)nn2)n1	748336729	YPOBSXRLZLALCB-UHFFFAOYSA-N	323.788	1.833	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)COCC(F)(F)F)cc1	846370917	SALPIISKUMJJTL-UHFFFAOYSA-N	320.267	1.424	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H](C)CCCCN)cc1	841993322	BMERYFVPBYBXSL-LBPRGKRZSA-N	306.410	1.711	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)Nc2ccc3c(c2)OCO3)[C@H]1OC	841640238	LOMZVNDKCIPKBR-ZIAGYGMSSA-N	321.333	1.717	50	20	DDGD	
CC(C)NCCCNC(=O)NNc1ccc2c(=O)[nH]ccc2c1	841932085	JDBJLTQFJIGGIB-UHFFFAOYSA-N	317.393	1.542	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(-n2ccc(C)n2)cc1	921038068	AHXATHBRHADVMR-UHFFFAOYSA-N	301.350	1.535	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2ccc(C(N)=O)s2)c1	759328451	JERWWCOPVUXMJK-UHFFFAOYSA-N	309.322	1.752	50	20	DDGD	
COCCCNC(=O)NN=C/C=C/c1ccccc1[N+](=O)[O-]	920832962	AGSBIXAPNUEQDA-JEVKGGJXSA-N	306.322	1.930	50	20	DDGD	
COc1ccccc1CC(=O)NN=C1CN(C2CC2)C[C@@H]1C	755890549	MSZPEQWQVFEFTB-LBPRGKRZSA-N	301.390	1.824	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1	920862755	CVSITDPHAFGLKJ-WCQYABFASA-N	323.393	1.703	50	20	DDGD	
Cn1cc(C=NNC(=O)NCc2ccco2)c(-c2ccncc2)n1	920829792	TXQPTYBSXSVCJH-UHFFFAOYSA-N	324.344	1.908	50	20	DDGD	
COc1cc(C(C)=NNC(=O)NCC(F)(F)F)ccc1O	757461719	PZSSLJDKOOWJPQ-UHFFFAOYSA-N	305.256	1.986	50	20	DDGD	
CN(C)N(C(=O)c1ccc(C2CC2)cc1)[C@@H]1CCS(=O)(=O)C1	854515894	BHEJZGOMPYVGIT-OAHLLOKOSA-N	322.430	1.670	50	20	DDGD	
CCN(CC)CCNC(=O)NC[C@]1(C)C[C@H]1Br	856829605	QUUALQBEYWRUBJ-PWSUYJOCSA-N	306.248	1.801	50	20	DDGD	
CC[C@@](C)(O)C(=O)NNC(=S)Nc1cccc(Cl)c1	929261412	JTZAXDYEDVAYAN-GFCCVEGCSA-N	301.799	1.819	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H]1Cc2ccccc21	854281167	BKUBIPCNLJZBFD-CYBMUJFWSA-N	307.419	1.200	50	20	DDGD	
CC[C@@H](C)Oc1ccc(C(=O)NNc2nnc(C)c(O)n2)cc1	750233808	SXDDWLPASKMMGS-SECBINFHSA-N	317.349	1.820	50	20	DDGD	
O=C1N[C@@H](C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])CCO1	858551670	LIPHHBXKDRMWBX-MRVPVSSYSA-N	314.685	1.190	50	20	DDGD	
C[C@]1(CNC(=O)NCCN2CCCCC2)C[C@@H]1Br	856717905	HCBYJYYTZUXQQY-WCQYABFASA-N	318.259	1.945	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC(F)(F)C[C@H]1C	859837188	BMDPKCTXODJWLS-MNOVXSKESA-N	305.369	1.688	50	20	DDGD	
CNC(=S)N(C)NC(=O)Cc1csc(C(C)(C)C)n1	854925151	CXDCBILEVBINJL-UHFFFAOYSA-N	300.453	1.450	50	20	DDGD	
O=C(NNC(=S)NC[C@H]1CCCCO1)Nc1ccccc1	758192468	OBMBAIUKNPCMFK-GFCCVEGCSA-N	308.407	1.756	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnn(CC(C)C)c1C(F)F	758716252	MXNSFKMHWZBYFB-UHFFFAOYSA-N	303.313	1.441	50	20	DDGD	
C[C@@H]1CCN(C(=O)NC[C@]2(C)C[C@@H]2Br)C[C@@H]1CO	856958644	JIZNBJYWGQKSNL-DCQANWLSSA-N	319.243	1.820	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)[C@@H](C)CN2CCCCC2)cn1	920987062	DPIWSVVFXUBSPB-ZDUSSCGKSA-N	305.426	1.865	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC[C@@H](C)C2CC2)cc1	920053047	AORKKUJKLBHFGN-GFCCVEGCSA-N	305.378	1.750	50	20	DDGD	
Cc1cccnc1NNC(=O)NC[C@@H]1CCCN1CC(F)F	858746710	BQTTWXNESDWNPY-NSHDSACASA-N	313.352	1.746	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)Cc1occc1C	854190639	DWCPGRJCBJLJLR-UHFFFAOYSA-N	318.329	1.366	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cccc(C(F)(F)F)c1F	854924866	VPVSGHWEJZBUGY-UHFFFAOYSA-N	309.288	1.925	50	20	DDGD	
C[C@]1(CNC(=O)NCC2(N)CCCC2)C[C@@H]1Br	857106658	WBXJIZZZQPEQEF-GXSJLCMTSA-N	304.232	1.731	50	20	DDGD	
CN(C)c1nccc(NNC(=O)Cc2c(F)cccc2F)n1	755819215	KYEQJXKHNNUGLG-UHFFFAOYSA-N	307.304	1.507	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)C[C@H](C)c1ccncc1	859540530	XXWQEMQEMSOJEK-NSHDSACASA-N	320.393	1.027	50	20	DDGD	
Cc1ccc(O[C@@H](C)CNC(=O)NNC(=O)c2cn[nH]c2)cc1	858253758	KQYJXKJWFWELSN-NSHDSACASA-N	317.349	1.130	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CC(F)(F)F)c(C(F)F)n1	755259018	RJZWNLCTYPZPSD-UHFFFAOYSA-N	300.187	1.071	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@H]1CCN1Cc1ccccc1	852085509	DGXNXPGMFULAIF-CQSZACIVSA-N	318.421	1.637	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)N[C@H]1C[C@H](c2ccc(F)cc2)C1	858485712	PBRCJMSARDMWLD-MJHDQNEOSA-N	317.324	1.439	50	20	DDGD	
C[C@@H]1CCC[C@@H](OCC(=O)NNC(=S)N[C@H](C)C2CC2)C1	855101450	WCKDUTVTVAKQFZ-NQBHXWOUSA-N	313.467	1.876	50	20	DDGD	
C[C@]1(C2CCN(/C(=C\C#N)c3ccccc3)CC2)NC(=O)NC1=O	752300760	IUPCJOIVVGHMJW-CFQIGZHASA-N	324.384	1.861	50	20	DDGD	
CC(C)N1CC(=NNC(=O)c2ccc3c(c2)OCO3)[C@@H](C)C1	754253762	FJKVVUMJODXDQT-NSHDSACASA-N	303.362	1.861	50	20	DDGD	
CC(=O)c1cccc(C(=O)NNc2ncccc2[N+](=O)[O-])c1	768228864	DRKVEKVYPQSZOG-UHFFFAOYSA-N	300.274	1.949	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@H]1CCO[C@@H](C2CC2)C1	765918170	JAPLNUHGJKQYSL-DTWKUNHWSA-N	309.288	1.227	50	20	DDGD	
COCCOc1ncccc1C(=O)NN[C@H](C)C(F)(F)F	862308966	JYPAUWMBLKUZHT-MRVPVSSYSA-N	307.272	1.292	50	20	DDGD	
CC(C)[C@H](CNCc1cccc(B(O)O)c1)C(=O)OC(C)(C)C	863889591	FEGMMGARZAGAMN-HNNXBMFYSA-N	321.226	1.070	50	20	DDGD	
Cc1ccc2c(c1)OCCCC2=NNC(=O)[C@H]1CCC(=O)N1	863148398	BAUDQYRKSCRCKQ-CYBMUJFWSA-N	301.346	1.267	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnc(Br)c(C)c1	935291344	OWVNIKYQTKZXDN-UHFFFAOYSA-N	315.171	1.459	50	20	DDGD	
CC(C)Cn1cnc(S(=O)(=O)NCC(Cl)Cl)c1	867470949	ZVWOLBHBGKRBFN-UHFFFAOYSA-N	300.211	1.621	50	20	DDGD	
COC(=O)[C@@]1(F)CCN(C(=O)[C@H](Br)C(C)(C)C)C1	768219063	VAUYVCRRQWAPGS-QPUJVOFHSA-N	324.190	1.910	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@H]32)n1	863881356	AHJKCERPCQWIML-BPLDGKMQSA-N	309.373	1.572	50	20	DDGD	
O=C(CCc1cnn[nH]1)NNc1ccccc1OC(F)(F)F	867537923	RWVDYBKLUQNIQL-UHFFFAOYSA-N	315.255	1.779	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1sccc1O	769797977	HXZOQTCTQJAHOM-UHFFFAOYSA-N	313.379	1.819	50	20	DDGD	
COc1ccc(OC(F)F)c(NCc2cccc(B(O)O)c2)c1	864026617	STFGNAXSCXCSAO-UHFFFAOYSA-N	323.104	1.589	50	20	DDGD	
C#CCOc1cccc(NC(=O)NNc2nccnc2OC)c1	764644767	BMKODTJWOAYVJR-UHFFFAOYSA-N	313.317	1.646	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H](C)n2nnnc2C(C)(C)C)n1	862521169	JUIBKEQOWXOGEW-JTQLQIEISA-N	303.370	1.378	50	20	DDGD	
COc1ccc(C(=O)NN=C2CCN3CCC[C@H]23)cc1OC	765551939	AXPQJUHDQIQLCX-CYBMUJFWSA-N	303.362	1.658	50	20	DDGD	
C=C[C@@H](COC)NC(=O)NNc1cccc(Br)n1	1117808235	BMAAVLVSMFCEGB-QMMMGPOBSA-N	315.171	1.671	50	20	DDGD	
COCCOCC(=O)NN=C1C[C@@H](C)N(Cc2ccccc2)C1	872402066	SYRKZDSOGKJBKI-CQSZACIVSA-N	319.405	1.416	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)c2nc3ccccc3s2)CCO1	874914059	JLQDMBLZAPAUPB-VHSXEESVSA-N	319.386	1.872	50	20	DDGD	
CCCn1cc(C(=O)NNc2nc(-c3ccccc3)no2)nn1	766882659	RUZJGMJLYOGWFH-UHFFFAOYSA-N	313.321	1.495	50	20	DDGD	
CC[C@H](C(=O)NNc1nc2ccccc2[nH]1)N1CCCC1=O	768505323	YQAHSGCGYBFNGM-GFCCVEGCSA-N	301.350	1.407	50	20	DDGD	
CC[C@@H](CN1CCCC1)NC(=O)NNC(=O)c1cc(C)cs1	875373713	YWBRPBQFARFOKD-LBPRGKRZSA-N	324.450	1.875	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)c1nc2ccccc2s1)OC	873018317	LEBITLPZZPUMRD-SECBINFHSA-N	322.390	1.665	50	20	DDGD	
CCCn1cc(C=NNC(=O)CNc2ccc(OC)cc2)nn1	872327314	CFWCFECPKSLXPZ-UHFFFAOYSA-N	316.365	1.259	50	20	DDGD	
CNC(=O)c1cccc(NC(=O)NNc2ncc(F)cn2)c1	775465114	RMJUWHMYEUMRPU-UHFFFAOYSA-N	304.285	1.124	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCCCN1CCC[C@@H](C)C1	875078880	UXDQJTMVNNKCFO-GFCCVEGCSA-N	300.403	1.411	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cccn2c(O)nnc12	772889895	FKLQQKFVRKLODC-UHFFFAOYSA-N	313.321	1.105	50	20	DDGD	
CCC[C@H](NC(=O)NNC(=O)C1CCNCC1)c1ccccc1	1118024849	JOFSOBHEJHVSHD-HNNXBMFYSA-N	318.421	1.858	50	20	DDGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)[C@@H](C)C#N)cc1	874949217	HNSBMJRKBVLYLY-JTQLQIEISA-N	306.391	1.951	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CCOC[C@@H]1CCCO1	777772730	KETMGHFKBZQXSF-LBPRGKRZSA-N	322.361	1.502	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc2c(F)cccc2[nH]1	772007146	YXDOMWXJNYBMEC-MRVPVSSYSA-N	321.308	1.410	50	20	DDGD	
Cn1c(NNC(=O)Cc2ccncc2)nc2ccccc2c1=O	779666877	ONNXREFRFOZIBI-UHFFFAOYSA-N	309.329	1.014	50	20	DDGD	
O=C(N[C@@H]1COCC[C@H]1O)[C@@]12CC[C@@H](C[C@H]1Br)C2	871190757	NRJRBJZFNRGDMP-ZZZDWPBISA-N	318.211	1.206	50	20	DDGD	
CCOCCCC(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874951724	SEMKHXIITVNLJE-UHFFFAOYSA-N	324.450	1.887	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CCO[C@H]2C)c(Cl)cc1O	872384387	PZUOGXMKIUZZBG-WPRPVWTQSA-N	312.753	1.929	50	20	DDGD	
CC/C(C)=C(\C)C(=O)NNC(=O)CNC(=O)c1cccs1	779899078	MCYKTOPPHJDQJE-MDZDMXLPSA-N	309.391	1.372	50	20	DDGD	
CCOc1cnc(C(=O)NNc2cc(Cl)nc(C)n2)cn1	779380313	ORNPXSFEVJJLOK-UHFFFAOYSA-N	308.729	1.384	50	20	DDGD	
CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)NNC(=O)c2cccnn2)C1	883849982	NNBUUIRXWDIUJE-MEDUHNTESA-N	317.393	1.732	50	20	DDGD	
CCc1cnccc1CNC(=O)NNc1ccc(Cl)nn1	779410463	VJCAFRTXODVXLS-UHFFFAOYSA-N	306.757	1.914	50	20	DDGD	
CN(NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1ccccc1	789829424	NHZKBNJXCVYHFN-CYBMUJFWSA-N	301.390	1.945	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1ccc(OC2COC2)cc1	782093774	YPHJPTTUVDFSHW-UHFFFAOYSA-N	316.317	1.259	50	20	DDGD	
CCOCC(=O)NN=Cc1ccc(OCCC(=O)O)c(OC)c1	783842522	UCOXRVJGAJIIJE-UHFFFAOYSA-N	324.333	1.035	50	20	DDGD	
CC(C)(C(=O)NNc1c(F)cc(F)cc1F)S(C)(=O)=O	885150717	HLSLETGCJAFSTB-UHFFFAOYSA-N	310.297	1.370	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cccc(C#N)c1)[C@H]1CCCOC1	780004684	BBERITOQGQXWKK-RISCZKNCSA-N	316.361	1.317	50	20	DDGD	
N#CCCCNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	784452629	BKGDJVGSMJGRRU-UHFFFAOYSA-N	304.394	1.837	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@H]1CN1CCN(c2nc(N)nc(C3CC3)n2)CC1	897573022	BHIDCSCVNMLFBR-DLOVCJGASA-N	322.844	1.327	50	20	DDGD	
O=C(NNC(=S)NCCc1ccc(F)cc1)c1cccnc1	789163052	YWFLLTCMILZKAM-UHFFFAOYSA-N	318.377	1.572	50	20	DDGD	
Cc1nn(C)cc1C1=NO[C@@H](C(=O)NN(C)c2ccccc2)C1	891814328	MNUZUSDRLHKXQU-OAHLLOKOSA-N	313.361	1.389	50	20	DDGD	
O=C(NN=Cc1cc2ccccc2[nH]1)[C@@H]1CCS(=O)(=O)C1	788422898	YPTSBLCCALNNFP-LLVKDONJSA-N	305.359	1.053	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cc2c(N(C)C)cccc2s1	894133091	DSHXUESDJITXIU-UHFFFAOYSA-N	320.418	1.290	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc(C#N)ccc1Cl	796246271	JYRJVTWRDGHTEN-UHFFFAOYSA-N	303.709	1.318	50	20	DDGD	
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccnc(F)c1	794912027	WEHFPZBTWRJRTO-UHFFFAOYSA-N	318.264	1.989	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1cccc(N2CCC2=O)c1	790577485	WLIYBZKJJXQFHP-UHFFFAOYSA-N	324.340	1.890	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CCCc1ccccc1N	798681986	HWESWEOBQYGZJB-NSHDSACASA-N	321.377	1.081	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)c1c(C)nc2ccccn12	792853976	IBLUYJIUHLJIES-YGRLFVJLSA-N	318.377	1.465	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cnc3c(F)cccc3c2)cn1	794341354	WRBIHRQHTXAKNO-UHFFFAOYSA-N	313.292	1.182	50	20	DDGD	
C=CC[C@H](CC)NC(=O)NNC(=O)c1c(C)nc2ccccn12	798497009	ZRNBBAFGYQQAMC-LBPRGKRZSA-N	315.377	1.941	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCCc3ccc(F)cc32)CC1	790176423	PKZGUKAECWGCOZ-UHFFFAOYSA-N	304.369	1.823	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccn1C)c1ccc(F)cc1F	1318695561	CGVCPGTYIFJWBM-SECBINFHSA-N	307.300	1.868	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)C[C@@H]2C)cc1	1323477134	RRSXNBBBFRCAHU-HZMBPMFUSA-N	304.346	1.462	50	20	DDGD	
CC(C)(C)c1nc(CN2CCN(C(=O)CCl)CC2)no1	1323268358	ADVYZVYDSCTQEZ-UHFFFAOYSA-N	300.790	1.250	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NC/C=C/C1CC1	1325007505	IWMDUHLBLKVBRH-ZWNMCFTASA-N	321.352	1.890	50	20	DDGD	
COc1ccc2c(c1)CN(S(=O)(=O)CBr)C2	710279985	IUVQDHZOHXVBJD-UHFFFAOYSA-N	306.181	1.693	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2CCN(C)[C@H](C)C2)cc1	1323370910	XWKVRDZTKSZSQQ-YPMHNXCESA-N	320.393	1.122	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)CCN1CCC(C)CC1	1330029129	KBHOESHNHBDDON-CQSZACIVSA-N	308.426	1.269	50	20	DDGD	
CCN(Cc1ccccc1C)C(=O)NNC(=O)c1cn[nH]c1	1331313652	YHSBJYXXZILNOW-UHFFFAOYSA-N	301.350	1.595	50	20	DDGD	
Cc1nnsc1C=NNC(=O)c1nnc(O)c2ccccc12	1330286334	QMOHNSPZTMCQTQ-UHFFFAOYSA-N	314.330	1.259	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@@H]1C[C@H]1F	1338878234	DBUCSKXNPLSSCS-WHGOUJPWSA-N	300.717	1.613	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccc(F)cc1OCC1CC1	1337952570	AKRDTFMOYIIQBR-UHFFFAOYSA-N	311.313	1.150	50	20	DDGD	
CN(CCCC(=O)O)C(=O)NC[C@]1(C)C[C@@H]1Br	1341412738	CDQRQNOWRCKMIY-KWQFWETISA-N	307.188	1.666	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2CCC[C@@H]2OC)c1	1262674545	CXXHBOUIGNJTCS-KBPBESRZSA-N	322.361	1.280	50	20	DDGD	
C[C@@]1(CNC(=O)[C@H](N)Cc2ccccn2)C[C@@H]1Br	1263163445	PHVLUOSXFZJLLW-MDZLAQPJSA-N	312.211	1.241	50	20	DDGD	
CC[C@H](C)C[C@@H](N)C(=O)NNc1ncc(Br)cn1	1263152534	LRXTXOGQEOKKJS-IONNQARKSA-N	316.203	1.446	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)C[C@H]1CSCCS1	161980312	YRKUQULHMKPFIS-NSHDSACASA-N	302.465	1.953	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)[C@H]2C[C@H]2F)cc1OC	1520735728	QNDZVCMIYDQTOY-NWDGAFQWSA-N	324.352	1.993	50	20	DDGD	
C[C@@H]1C[C@H]2CC[C@@H](C(=O)NNc3nc4ccccn4n3)CN2C1	1528267702	LXJMJBWBFQWZRQ-JHJVBQTASA-N	314.393	1.293	50	20	DDGD	
Cc1c(NNC(=O)c2ccc(C=O)n2C)cccc1C(=O)O	1600054315	SSEZJLOCKSTJAP-UHFFFAOYSA-N	301.302	1.601	50	20	DDGD	
C[C@H]1CCN(CCNC(=O)NNc2ccc(C(=O)O)cc2F)C1	1604752477	VPMOVYNHMWXPQO-JTQLQIEISA-N	324.356	1.492	50	20	DDGD	
Cc1c(Cl)cccc1NNC(=O)Cn1cc(C(=O)O)nn1	1607531173	PHJHDQYZVTYVOB-UHFFFAOYSA-N	309.713	1.081	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NNc1ccc(C(=O)O)c(F)c1	1600994281	LWMKHQGQBSJOOQ-GHMZBOCLSA-N	318.308	1.504	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2ccn(-c3ccncc3)n2)c1	1602450454	WIRQOSLZUHBNAK-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
O=C(O)c1ccccc1CCNS(=O)(=O)CCCCl	1602467200	SJAUKTMJOOSVTO-UHFFFAOYSA-N	305.783	1.476	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C[C@@](C)(O)C(=O)O)C1	1604370461	YUFNJFLZPCCOLI-BXUZGUMPSA-N	303.475	1.918	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)Nc2cnoc2)cc(-c2nn[nH]n2)n1C	1609383539	XNTAWZPKRZLYET-XCVCLJGOSA-N	324.304	1.047	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)c(F)c1)c1cnn(C2CC2)c1	1601556467	HQZUAGZHBMGPBB-UHFFFAOYSA-N	304.281	1.812	50	20	DDGD	
Cc1c(CNC(=O)NNc2ccc(F)c(C(=O)O)c2)cnn1C	1610415433	PNDXQBZVNVARDA-UHFFFAOYSA-N	321.312	1.392	50	20	DDGD	
CCc1ncc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)s1	1549316456	GOXKUOPQHCNMBM-CMPLNLGQSA-N	308.407	1.019	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@H]1C(=O)NN=Cc1ccncc1	1549309197	LOTCYZDWONGERZ-KGLIPLIRSA-N	313.361	1.433	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@@H]1c1nccn1C)[C@@H]1CCOC1	1549311312	QMBVKRUPMCRXTG-MCIONIFRSA-N	320.393	1.416	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](N)C2CCCCCC2)n1	1579146163	JOTIUWVSARRZPZ-ZDUSSCGKSA-N	307.398	1.534	50	20	DDGD	
Nc1ccc(CNC(=O)NNC(=O)c2c[nH]c3ccccc23)cc1	1580445544	JBUXSDMUFKDRKZ-UHFFFAOYSA-N	323.356	1.894	50	20	DDGD	
N[C@H]1CC[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2F)CC1	1580415652	QPGYEDMXRHAMRT-CZMCAQCFSA-N	313.760	1.758	50	20	DDGD	
C#CCN(CC(=O)O)C(=O)/C(C#N)=C\c1ccc(OCC)cc1	1588397705	RFTKDRJERYIFAU-UVTDQMKNSA-N	312.325	1.539	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2ccc(C(=O)O)c(Cl)c2)n1	1597932613	PYWKMTNPALOUAV-UHFFFAOYSA-N	323.740	1.715	50	20	DDGD	
Cc1c(/C=C(\C#N)c2nnc(C3CC3)o2)cc(-c2nn[nH]n2)n1C	1591817820	RNZUEZNVIGLVPP-VZUCSPMQSA-N	322.332	1.838	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1nc(CCCC(=O)O)cs1	1596864915	YBIVAMLAQOXWGK-VQHVLOKHSA-N	309.347	1.933	50	20	DDGD	
CC[C@@](C)(NS(=O)(=O)c1ccc(CCl)cc1)C(=O)O	1594854312	WKPITTQPXAYELK-GFCCVEGCSA-N	305.783	1.957	50	20	DDGD	
CN(NC(=O)c1ccc(C(=O)O)s1)C(=O)OC(C)(C)C	1598542176	YVQHEIXPAOZULW-UHFFFAOYSA-N	300.336	1.958	50	20	DDGD	
CC[C@@H](C)CC=NNC(=O)COc1ccccc1-c1nn[nH]n1	1590404992	SIQOZSULFXEVSB-LLVKDONJSA-N	316.365	1.784	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1cccc(F)c1C(=O)O	1596659226	MZDDGYCXMQCNRI-UHFFFAOYSA-N	313.285	1.103	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC2(C(=O)O)CCCCC2)cn1	1594537810	LOOPLPAWACWVLI-GHXNOFRVSA-N	302.334	1.231	50	20	DDGD	
N#C[C@@]1(C(=O)NNc2ncccc2C(=O)O)CC2CCC1CC2	1594600671	ABXHNRGRZDJFKP-PRDDCLIZSA-N	314.345	1.943	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C\c1cccc2[nH]nc(C(=O)O)c12	1776330841	OYBHNZKXCPCDNZ-WDZFZDKYSA-N	312.329	1.940	50	20	DDGD	
Cn1cc(C(=O)O)cc1C=NNC(=O)[C@H]1CCN1C(C)(C)C	1776098172	ARCHOIJGCBIWCC-GFCCVEGCSA-N	306.366	1.046	50	20	DDGD	
CC(C)NC(=O)CCCC(=O)NNc1ccc([N+](=O)[O-])cc1	150880203	UDDXTUFXSYUYRQ-UHFFFAOYSA-N	308.338	1.733	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1	161604372	QEZJIRGERCISHZ-UHFFFAOYSA-N	306.366	1.036	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)CSc2nnnn2C2CC2)c1	158942787	FTZWVONVHADRDT-UHFFFAOYSA-N	318.406	1.860	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](CO)CC(C)C	160640861	LSXAOWVACYOVTC-GFCCVEGCSA-N	301.818	1.876	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NNc1cccc(C(F)(F)F)c1	151398866	VNINKXHKXFTQHI-SNVBAGLBSA-N	318.299	1.986	50	20	DDGD	
N#Cc1ccc(NNC(=O)CNC(=O)CC2CCCC2)cc1	155222506	PLSBLWWRHFAJTL-UHFFFAOYSA-N	300.362	1.698	50	20	DDGD	
CS[C@@H](C)CC(=O)NNC(=O)COc1cc(C)cc(C)c1	155306944	UPHPNGYVDPWOEV-LBPRGKRZSA-N	310.419	1.971	50	20	DDGD	
C[C@H](Sc1nncn1C)C(=O)NNc1c(F)cccc1F	156530584	HBXQADZOTMPJAQ-ZETCQYMHSA-N	313.333	1.717	50	20	DDGD	
CON(CC(=O)NNC(=O)c1ccccc1)Cc1ccccc1	183099627	OKDANQOQUOHGPV-UHFFFAOYSA-N	313.357	1.511	50	20	DDGD	
NC(=O)NN=C1CCC[C@H](N2C(=O)c3ccccc3C2=O)C1	745193477	UWSYEBGBNKWJCU-JTQLQIEISA-N	300.318	1.250	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CC[C@H]2CCCCO2)c1	110599853	UOSSBJNHOMPOLN-CQSZACIVSA-N	320.389	1.871	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@H]2C[C@H]2C)cc(OC)c1OC	26955515	HRVICVCNRLKNAK-SCZZXKLOSA-N	308.334	1.129	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	56370834	MOJFWOHVSDGNQK-UHFFFAOYSA-N	300.362	1.976	50	20	DDGD	
COc1cc(C)nc(NNC(=O)COc2ccc(C)cc2)n1	174496477	IOXVDTSEAMWTIL-UHFFFAOYSA-N	302.334	1.624	50	20	DDGD	
O=C(NNc1cnccn1)c1ccc(N2CCOCC2)c(F)c1	114877771	YRMVXLFCLXLCQX-UHFFFAOYSA-N	317.324	1.209	50	20	DDGD	
CN(C)C(=O)NNC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1	179761649	BROJBVNNZJFUSY-JTQLQIEISA-N	320.176	1.719	50	20	DDGD	
COc1ccc(OC)c(/C=C/C(=O)NNC(=O)NC2CC2)c1	64900180	PTYVZFDECPUHLU-FPYGCLRLSA-N	305.334	1.210	50	20	DDGD	
O=Cc1ccccc1OCC(=O)NNc1ccccc1[N+](=O)[O-]	66590556	CMUJGJDUQRTHRO-UHFFFAOYSA-N	315.285	1.929	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCCn2cccn2)cc(C#N)n1C	114682059	ZQAXWQJUSXGTDW-ZSOIEALJSA-N	308.345	1.125	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)[C@H]1CCCOC1	170789939	HKOJGTMZTDBPHW-HNNXBMFYSA-N	312.369	1.956	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1C1CC1)[C@@H]1COc2ccccc2O1	176448810	XXQSYEGURAXDBE-GYSYKLTISA-N	302.330	1.020	50	20	DDGD	
C=CCCCC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12	175070622	OUFMXFIDHWBNAS-UHFFFAOYSA-N	314.345	1.051	50	20	DDGD	
CCC[C@@H](C(=O)NNc1nnc(C)c(O)n1)c1ccccc1	29066437	MHKLLGPQEHFYKN-GFCCVEGCSA-N	301.350	1.913	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)NCc1ccco1)c1ccccc1	65175901	OYCXWHKUYCUQEK-CYBMUJFWSA-N	303.318	1.498	50	20	DDGD	
O=C(NNC(=O)C1(O)CCSCC1)c1cc2ccccc2o1	120775951	JDZPTNKHQPAXBP-UHFFFAOYSA-N	320.370	1.452	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H]2[C@H]3c4ccccc4C[C@@H]23)nn1	123535307	GTJGFXPMZCZJSB-DZKIICNBSA-N	309.373	1.997	50	20	DDGD	
C[C@@H](C[S@](C)=O)NC(=O)NNc1ccc(OC(F)F)cc1	182603941	IRPAXKMERHHVKC-PPRQPISWSA-N	321.349	1.681	50	20	DDGD	
Cc1cn(-c2ccccc2)nc1C(=O)NNC(=O)c1cccn1C	184865889	SOSLZUKPZAWLPC-UHFFFAOYSA-N	323.356	1.594	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Cc1cnn(-c2ccccc2)c1	73431257	WSPSTLMNVLIRME-UHFFFAOYSA-N	323.356	1.215	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2c[nH]c(=O)c3ccccc23)n1	188990490	PGZODIXOONZHIL-UHFFFAOYSA-N	309.329	1.692	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)OC)c1C	215720849	YFEHYDZZEKIZCJ-ZSOIEALJSA-N	320.345	1.375	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNC(=O)c1cccc(F)c1	36627347	RFQWYOATVUBNAB-UHFFFAOYSA-N	321.333	1.078	50	20	DDGD	
CCCCn1cc(C(=O)NNc2nccnc2OC)c(C)n1	184491239	KYNHMJJPVFKEJG-UHFFFAOYSA-N	304.354	1.547	50	20	DDGD	
CSC1(C(=O)NNC(=O)CNc2ccc(C)cc2C)CC1	188127089	BNTOCFGWBGZPEQ-UHFFFAOYSA-N	307.419	1.758	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1	132168139	IGUCSUJCRHDCTP-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)C1(Cc2ccccc2)CCC1	133728188	YQDMDDBBSIZCBW-UHFFFAOYSA-N	317.389	1.071	50	20	DDGD	
O=C(CCOC1CCOCC1)NNC(=O)Cc1ccccc1F	84542973	RWSMTIABTVHZKU-UHFFFAOYSA-N	324.352	1.101	50	20	DDGD	
Cc1ccc(NNC(=O)c2cnc3sccn3c2=O)cc1	136100242	DMILESXOOFLBTC-UHFFFAOYSA-N	300.343	1.821	50	20	DDGD	
O=C(NNc1nc2ccccc2c(=O)[nH]1)c1cc(F)ccc1O	137220918	GZPKRYHWJPBJSA-UHFFFAOYSA-N	314.276	1.525	50	20	DDGD	
Cc1ccc(NCCCNC(=O)NNC(=O)C(C)(C)C)nc1	193851797	BLUFBTDMIAXCCQ-UHFFFAOYSA-N	307.398	1.569	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2nc3ccccn3n2)cc1C	190618904	VZZIIVURLMYWOM-UHFFFAOYSA-N	324.344	1.428	50	20	DDGD	
Cc1nc(CCCC(=O)NNc2nc3ccccn3n2)cs1	191899680	PAJLMNCWVZFBDO-UHFFFAOYSA-N	316.390	1.960	50	20	DDGD	
COC(=O)NNC(=O)c1cnn(Cc2ccccc2Cl)c1	192571102	BPCGNGISLQKKCT-UHFFFAOYSA-N	308.725	1.586	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)c1ccc[nH]1	192962810	PPUADPYTMCOCPT-TVQRCGJNSA-N	301.302	1.004	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@H]([C@@H](C)N)C1	269287293	SSZBVKTXTIKXLC-MFKMUULPSA-N	312.845	1.938	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccccc1O)C1CCOCC1	268600759	UTODAKNCGIEXDC-SNVBAGLBSA-N	307.350	1.151	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@H](C[C@H](C)O)c1ccccc1	268380534	WXMVMPRQWSMDLM-ZFWWWQNUSA-N	321.421	1.918	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNC(=O)C2CCC2)nc1C	264822956	XUJLUSZIJXHJEK-UHFFFAOYSA-N	305.334	1.128	50	20	DDGD	
CC(C)(C(=O)NNC(=O)C1(C#N)CCOCC1)c1ccccc1	264553383	ZTTPYLROCIEZGL-UHFFFAOYSA-N	315.373	1.432	50	20	DDGD	
CC(C)c1ncncc1C(=O)NNC(=O)Cc1ccccc1F	264497504	JBHPNPFUUZYAQR-UHFFFAOYSA-N	316.336	1.743	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NC[C@]1(C)CCO[C@H]1C1CC1	364166938	CTDHZHGQCPAOFR-BBRMVZONSA-N	311.426	1.958	50	20	DDGD	
O=C1CSc2cc(C(=O)NNc3ccccn3)ccc2N1	365628131	VCBAMCOHBHLZOS-UHFFFAOYSA-N	300.343	1.883	50	20	DDGD	
Cc1nnsc1C(=O)NNC(=O)C(C)(C)c1ccccc1	276454964	HGNMDEIBVODQBC-UHFFFAOYSA-N	304.375	1.585	50	20	DDGD	
CNC(=O)c1cc(NC(=O)NNC(=O)C2CC2)ccc1Cl	274109246	QKVPNXXGRMVSOC-UHFFFAOYSA-N	310.741	1.262	50	20	DDGD	
O=C(NNC(=O)c1ncn(-c2ccccc2)n1)NC1CCCC1	271092822	LNVWEDXNLWPBSE-UHFFFAOYSA-N	314.349	1.154	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2ccnc(C)c2)n1	279254289	INNJOBNYIFJFAX-UHFFFAOYSA-N	300.366	1.783	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@H]1COCCN1C1CCCC1	376721250	CILWNEGWWAFFAK-CYBMUJFWSA-N	311.426	1.213	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@@H]1CCc2[nH]ncc2C1	270214813	RGORRPKXCIIDHS-SECBINFHSA-N	301.306	1.566	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CCN(c2cc(C)cc(C)c2)C1=O	375983889	JQEHMDAILLVISA-ZDUSSCGKSA-N	319.361	1.386	50	20	DDGD	
CCN1CCOC[C@H]1C(=O)NNc1cc(F)c(F)cc1F	378439267	NRUONHALAFGYPC-LBPRGKRZSA-N	303.284	1.268	50	20	DDGD	
CSSCCNC(=O)N1CCO[C@@H]([C@H]2CCCO2)C1	375152276	PXJRVTILAALJTJ-GHMZBOCLSA-N	306.453	1.587	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNC(=O)Cc1ccccc1F	289842804	UTIIEUIYOKBAPR-SNVBAGLBSA-N	310.325	1.105	50	20	DDGD	
CO[C@@H]1CCC[C@H](CC(=O)NNC(=O)Cn2nc(C)cc2C)C1	280364443	UVTXIIFROARGFT-UONOGXRCSA-N	322.409	1.243	50	20	DDGD	
C[C@H](C(=O)NNc1nccnc1C1CCC1)N1CCSCC1	287336900	YLKYNOLSPJKQPK-LLVKDONJSA-N	321.450	1.625	50	20	DDGD	
COCCN(C)NC(=O)c1cccc(OCc2cccnc2)c1	288311673	CPCUSSRBFPLQQQ-UHFFFAOYSA-N	315.373	1.884	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NNc1nc2ccccn2n1	281668897	YPGBLWRHYQIIJK-AAEUAGOBSA-N	316.365	1.337	50	20	DDGD	
CC1=C(C(=O)NNc2ccc(-n3ccnc3)nn2)CCCO1	286729216	SUKUKLPDHNNUFD-UHFFFAOYSA-N	300.322	1.190	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(Cl)s1)[C@H]1CCCCO1	296663010	FPDSIMQTKFMLQW-SSDOTTSWSA-N	324.811	1.280	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)CC(C)C)cc1OC	298225142	ZEJQWRPOTLUOMF-SOFGYWHQSA-N	306.362	1.911	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1ccccc1C	299101193	HYRKZADZRODSTA-CQSZACIVSA-N	317.389	1.547	50	20	DDGD	
Cc1nc(C(C)C)oc1C(=O)NNC(=O)c1ccccc1O	291999092	LXMCOQCWCDSSKQ-UHFFFAOYSA-N	303.318	1.887	50	20	DDGD	
COC(=O)C1(CS(=O)(=O)N2CC=C(C#N)CC2)CCCC1	290844738	VWQIZMJHHRMIQM-UHFFFAOYSA-N	312.391	1.205	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ncc(C)cc1C	807370205	AYPJBCPXCBUTTF-UHFFFAOYSA-N	309.366	1.249	50	20	DDGD	
CCCOc1ncccc1CNC(=O)NNc1ncncc1F	292810324	WFPXEAHXOXIZGN-UHFFFAOYSA-N	320.328	1.626	50	20	DDGD	
N#Cc1cc(O)cc(C(=O)NNc2ccc(C(F)(F)F)nn2)c1	809736543	ZFDFBYBBFVAUOG-UHFFFAOYSA-N	323.234	1.830	50	20	DDGD	
CC/C=C/CNC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	298198662	SZVAZMLFAVPHRQ-AATRIKPKSA-N	318.377	1.539	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ncccc2O)cc1	802057028	KGFNNYVKALXOPM-UHFFFAOYSA-N	302.290	1.262	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)ccc1F	297734965	JMVYJYKOEBHTLB-KWQFWETISA-N	311.313	1.555	50	20	DDGD	
CC(C)[C@H](NC(=O)c1cccs1)C(=O)NNc1ccncn1	295473599	MSIBBSJXWGYFCB-LBPRGKRZSA-N	319.390	1.436	50	20	DDGD	
CO[C@H](CNC(=O)OC(C)(C)C)C(=O)NNc1ccncc1	290432082	NYNNAPWTSJDUJU-LLVKDONJSA-N	310.354	1.064	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802124110	CORNQWSZCXESOR-OAHLLOKOSA-N	308.382	1.720	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCC(C)(C)CO)cc(C#N)n1C	295948837	HYVHSGPXDRYLLK-VGOFMYFVSA-N	314.389	1.637	50	20	DDGD	
CC(C)[C@@H]1C[C@H](CC(=O)NNC(=O)N=c2cc[nH]cc2)CCO1	802033645	HRQUZHUSJSTVGZ-OCCSQVGLSA-N	320.393	1.498	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)nc1	802096474	RKBPSVCCTWMERF-UHFFFAOYSA-N	324.296	1.258	50	20	DDGD	
O=C(NCCOC[C@H]1CCCO1)NNc1cccc(Cl)n1	814301971	KUZOIEOJYDXQIN-SNVBAGLBSA-N	314.773	1.557	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(C)[C@@H](C)C(=O)O)cc1	818240125	WSYQTYKOODEWTQ-KWJWQAOWSA-N	302.330	1.924	50	20	DDGD	
CCCN(CC)C[C@@H](C)NC(=O)NNc1ncncc1Cl	811972997	BGUYJHZSOOWJIW-SNVBAGLBSA-N	314.821	1.877	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCCCCC(=O)O	818954074	PSXBBJJASCYLME-UHFFFAOYSA-N	307.350	1.584	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@]2(C)CC2(F)F)cc1C	817514061	XILCYKPGRPYXMO-AWEZNQCLSA-N	312.316	1.875	50	20	DDGD	
O=C(NNc1ccccn1)Nc1nc2cc(Cl)ccn2n1	810248223	QIHZYORMFLXNLS-UHFFFAOYSA-N	303.713	1.926	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)COc1ccc(C)c(C)c1	822195823	JCCNMJWODNBVJZ-CABCVRRESA-N	318.373	1.421	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1ccc(O)cc1F	729932660	NVMDKNGTJWWQNU-LLVKDONJSA-N	323.368	1.340	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1ccc(C#N)cc1	825732944	ICBXOPOTHMYIMM-MJVIPROJSA-N	316.361	1.375	50	20	DDGD	
C[C@H]1COCCN1C(=O)NNC(=O)c1ccc2ccccc2c1	728946488	DKTAIGHCWXZLRC-LBPRGKRZSA-N	313.357	1.915	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)CCc1ccccc1)C(=O)O	826584541	BCJHQYJCEFZRJX-UHFFFAOYSA-N	307.350	1.060	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccccc1CN1CCOCC1	494660774	YHLUEWODQSGQJO-UHFFFAOYSA-N	322.365	1.301	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cc(-c2nn[nH]n2)c[nH]1	823280927	INVUMOSGUYEXFA-UHFFFAOYSA-N	323.238	1.369	50	20	DDGD	
CCOc1ccc(C=NNC(=O)C(=O)NC2CC2)cc1OCC	728694101	CIPOZBAPYRJBGQ-UHFFFAOYSA-N	319.361	1.213	50	20	DDGD	
CCN(CCO)NC(=O)c1cccc(OCCCOC)c1C	823376529	GYQKWEGYPKVFHK-UHFFFAOYSA-N	310.394	1.369	50	20	DDGD	
CCCN(NC(=O)[C@@H]1CCN(C)C(=O)C1)C(=O)OC(C)(C)C	495761575	SHHMMYUYXWCGCQ-LLVKDONJSA-N	313.398	1.533	50	20	DDGD	
CCOC(=O)N1CCC(C(=O)NNc2cccc(F)n2)CC1	495762887	WZKAPUBAGXNUJG-UHFFFAOYSA-N	310.329	1.532	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCCc1ccccc1	823051233	WRXYCSKDAWOOIU-CABCVRRESA-N	302.374	1.748	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1sccc1-c1nn[nH]n1	823280925	IKMKDULVYAYXBL-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
COc1ccc(NNC(=O)Cc2cccc(-c3nn[nH]n3)c2)cc1	821835431	KNGUVKBTYMNPKC-UHFFFAOYSA-N	324.344	1.561	50	20	DDGD	
COc1ccc(Cl)cc1C(F)(F)C(=O)NN(C)C[C@H](C)O	822557504	LWJKPQJZKVTCCK-QMMMGPOBSA-N	322.739	1.784	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(C(F)(F)F)c(OC)c1	823893763	VVXOIGHQXIAVQG-UHFFFAOYSA-N	306.284	1.673	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1CCSC(C)(C)CC1	827273920	KHKQWHMCKGNJEM-GHMZBOCLSA-N	315.439	1.370	50	20	DDGD	
CCOCC(=O)NN=CC1CCN(C(=O)OC(C)(C)C)CC1	493178136	QKFWHXKMOSKYAY-UHFFFAOYSA-N	313.398	1.772	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)c1	824044540	SRQHKWIOYGSXCH-SLEUVZQESA-N	317.389	1.691	50	20	DDGD	
O=C(NNc1ncccn1)N[C@@H]1CCN(C2CCCCC2)C1	822531281	CRDJBDCLZBXOBZ-GFCCVEGCSA-N	304.398	1.510	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1COCCC1=NN(C)C(N)=O	495326219	HYWJCUAFIKZYGE-ZJUUUORDSA-N	314.386	1.303	50	20	DDGD	
Cn1nccc1/C=C(/C#N)C(=O)NCc1ccc(F)cc1F	490699965	UILIWTAFSFCXOP-WDZFZDKYSA-N	302.284	1.922	50	20	DDGD	
O=C(/C=C/C1CCCC1)NNC(=O)c1ccc2c(c1)OCCO2	493397988	HOPNKCYNCFXLCT-VMPITWQZSA-N	316.357	1.965	50	20	DDGD	
O=C(NN=C1CCCOc2cc3c(cc21)CCC3)c1ncon1	901290095	OHCISFBGNQDCBT-UHFFFAOYSA-N	312.329	1.865	50	20	DDGD	
CCN(CCO)NC(=O)CC(C)(C)CNC(=O)OC(C)(C)C	823377309	QWWSEHLKJGQNRA-UHFFFAOYSA-N	317.430	1.273	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C1CCC(N2CCOCC2)CC1	907276444	KCCOWAAPOLWLJR-UHFFFAOYSA-N	322.384	1.555	50	20	DDGD	
ClCCn1cc(/C=C\c2ccc(-c3nn[nH]n3)cn2)cn1	737560436	AEWMIBNPOMNHBO-IWQZZHSRSA-N	301.741	1.867	50	20	DDGD	
C[C@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)OC(C)(C)C	490753754	JQACDEQYORFSPN-JTQLQIEISA-N	313.398	1.627	50	20	DDGD	
COCCN(C)NC(=O)c1cc(O)nc2c(F)cc(C)cc12	837625220	KFBHDEAYYRROAP-UHFFFAOYSA-N	307.325	1.611	50	20	DDGD	
O=C(NCB(O)O)C1(c2ccc(C(F)(F)F)cc2)CCC1	585062262	FCMGWXSNZQQXND-UHFFFAOYSA-N	301.073	1.255	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc2ncsc2c1	831236031	QKTZANKBWBIYPJ-WPRPVWTQSA-N	320.374	1.874	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	733110896	XGOIVAFTASJDCS-UONOGXRCSA-N	314.345	1.058	50	20	DDGD	
O=C(NCC(Cl)Cl)C1(S(=O)(=O)c2ccccc2)CC1	837649621	SGIKKEHSOIOJCD-UHFFFAOYSA-N	322.213	1.913	50	20	DDGD	
O=C(NNc1c(F)cccc1F)c1ccc(-c2nn[nH]n2)cc1	738137863	TUUVBSXGOOZQIP-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
COCCN(C)NC(=O)CCCOc1ccc2c(c1)OCO2	837626926	NCJRNOKTMIIHLQ-UHFFFAOYSA-N	310.350	1.184	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1cccc2cccnc12	734739664	HTDHXQIBOCWKCU-UHFFFAOYSA-N	307.375	1.590	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ncncc2Cl)[C@H]2CCCC[C@@H]2N1	832672965	YIRAZSCOIIYDFC-YWVKMMECSA-N	323.784	1.268	50	20	DDGD	
C[C@H](CCS(C)(=O)=O)NC(=O)[C@@]1(C)C[C@H]1Br	907019337	AJYVEMBAEFAEPI-MRTMQBJTSA-N	312.229	1.099	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1cccc(Cl)n1	731329406	LJESFGWRYKHOFP-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
CC[C@@H](C)N(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	839511896	GTSGMKYVQKOMDF-SNVBAGLBSA-N	308.338	1.086	50	20	DDGD	
C[C@@H]1C[C@@H](CNC(=O)NNc2cccc(C(=O)O)c2)CCO1	833594944	GWTCLOBLEVXNOV-MNOVXSKESA-N	307.350	1.826	50	20	DDGD	
CON1CCC(=NNC(=O)[C@H](C)CN2CCCCCC2)CC1	834934561	OFRXZAAIIVWBFA-CQSZACIVSA-N	310.442	1.628	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1cc(C2CC2)ccn1	836633175	BWJBEAFZESKWPQ-LBPRGKRZSA-N	304.350	1.681	50	20	DDGD	
O=C(NNc1ccccc1)NC1CCN(C(=O)C2CC2)CC1	734267985	TWNWTIZEHLCKSP-UHFFFAOYSA-N	302.378	1.714	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCCCCC(=O)O	738116844	YFXDYYLSWGBJQD-UHFFFAOYSA-N	323.349	1.284	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1cccc[n+]1[O-]	916148772	QYRRITHIOFGNGV-UHFFFAOYSA-N	321.720	1.057	50	20	DDGD	
CCOc1nc(C(F)(F)F)ccc1C(=O)NN(C)C[C@@H](C)O	910151373	AVHIXMJRMDOBAZ-MRVPVSSYSA-N	321.299	1.457	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C#CC2CC2)ccc1OC(C)C	837312103	HQOCXLYDGSPJPB-UHFFFAOYSA-N	316.357	1.657	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CCS(=O)(=O)C2)c(Cl)c1	836938573	SOFKDEVSWKRRBO-VIFPVBQESA-N	302.783	1.526	50	20	DDGD	
C=CC[C@@H](C(=O)NNC(=O)CN1CCCC1=O)c1ccccc1	913732029	FLKXVGMMQWSOCR-CQSZACIVSA-N	315.373	1.116	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C(=O)NNC(=O)C(C)(C)C)c1C	918585028	RQKRSMNURKADMJ-UHFFFAOYSA-N	309.366	1.615	50	20	DDGD	
N#CSCCCNS(=O)(=O)c1cn2c(n1)CCCC2	916985713	OXBMQWJVSUXPRF-UHFFFAOYSA-N	300.409	1.102	50	20	DDGD	
C=CCN(CC(=O)NNC(=O)c1ccccc1Cl)C(C)C	744389094	JBIQCXYWPSTJMU-UHFFFAOYSA-N	309.797	1.997	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1ccnc(N2CCCCC2)c1	916255055	YIEKGFNMEPUBMM-UHFFFAOYSA-N	319.409	1.558	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2csc3cncn23)n1	749188024	AIQWTGCHAWLHTF-UHFFFAOYSA-N	303.351	1.009	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1cc(C)cc2cccnc12	917717109	OWPQOSSXUYMVGX-UHFFFAOYSA-N	309.347	1.483	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=S)NC[C@H]1CCOC1	749688325	QCBAVSHLCAQBCM-CYBMUJFWSA-N	307.419	1.151	50	20	DDGD	
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1cccnc1	741770350	FNABPEOPLURENV-UHFFFAOYSA-N	300.274	1.849	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2C[C@H](C)[C@@H](C)[C@@H]2C)c1	842166853	OBBAIVIAVOOQMA-MJBXVCDLSA-N	303.406	1.732	50	20	DDGD	
C/C(=C/C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)C(C)(C)C	744354115	BKSPPLVMVLFCGC-UCQJPZFISA-N	302.440	1.471	50	20	DDGD	
CC(=O)N[C@H](C(C)=NNC(=O)CN(C)C)c1ccccc1F	841627635	XIYLWFARSUREQF-OAHLLOKOSA-N	308.357	1.057	50	20	DDGD	
CC[C@H](C(=O)NNc1ccc(F)c(F)c1F)N1CCCC1=O	743332517	RJSFCLRAUDNIFX-SNVBAGLBSA-N	315.295	1.948	50	20	DDGD	
C[C@@]1(CNC(=O)CNC(=O)N2CCCC2)C[C@H]1Br	912827035	GMWDWHHLYLXPOQ-SKDRFNHKSA-N	318.215	1.082	50	20	DDGD	
O=C(NC[C@@H]1CNCCO1)[C@@]12CC[C@@H](C[C@H]1Br)C2	846682130	MBNUVTNDLSIWHS-MEWQQHAOSA-N	317.227	1.045	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1nc(F)ccc1Br	847480665	AFNVEIOMTAIAJD-UHFFFAOYSA-N	316.130	1.544	50	20	DDGD	
NC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1cccc(Cl)c1	841946971	DBDGJKICLRXYOU-AAEUAGOBSA-N	324.812	1.802	50	20	DDGD	
CSCCNC(=S)NNC(=O)Cc1cccc(C2CC2)c1	840408784	PFYJYMGBWNOJAX-UHFFFAOYSA-N	323.487	1.965	50	20	DDGD	
CC(=NNC(=O)c1ccncc1)c1ccc2c(c1)NC(=O)CO2	744526156	OKXJZKZMZQPQPG-UHFFFAOYSA-N	310.313	1.567	50	20	DDGD	
CC(C)CC(=O)N1CCC(NC(=O)NNC(=O)C(C)C)CC1	749197725	SBMBEFITYOJBMI-UHFFFAOYSA-N	312.414	1.010	50	20	DDGD	
Cc1c(C(=O)NNC(=O)N(C)C)cnn1-c1ccc(Cl)cc1	746006184	WARXWDOFTCMWAF-UHFFFAOYSA-N	321.768	1.750	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)/C=C/c1ccc2c(c1)OCO2	843637000	ABDNUSVHWSOFMC-BIZURNDZSA-N	318.329	1.001	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(C3CC3)n(C)n2)c(O)c1	743313464	JRBOUDSKVCGLJP-UHFFFAOYSA-N	314.345	1.386	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](C)c1ccc(C)o1	742696726	ATVCGUMHDXZBIS-SNVBAGLBSA-N	309.366	1.144	50	20	DDGD	
CC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)c1ccc(N)cc1	916542723	WVUUFGUKIUZARB-UHFFFAOYSA-N	313.317	1.913	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H]1CCCS1	743290775	AIDCYLPZPCPLDG-SNVBAGLBSA-N	304.375	1.299	50	20	DDGD	
CC(=NNC(=O)C(N)=O)c1ccc(N2CCCCCC2)cc1	916273942	FDGDKYRNEWBXHX-UHFFFAOYSA-N	302.378	1.393	50	20	DDGD	
CCCNC(=O)NNC(=O)C1CC(OCc2ccccc2)C1	746838102	BHHIBYQFKMYCTC-UHFFFAOYSA-N	305.378	1.722	50	20	DDGD	
COC(C)(C)CNC(=O)NNC(=O)C(C)(C)c1ccccc1	743673076	GTBBUKBSUUMCLE-UHFFFAOYSA-N	307.394	1.720	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C1CCC1)[C@@H]1C[C@H](C(=O)O)C1(C)C	848595420	GZSCDEDEHNYTIX-DVVUODLYSA-N	311.382	1.252	50	20	DDGD	
CC[C@@](C)(O)C(=O)NNC(=O)CSc1ccc(Cl)cc1	929257101	JFTGTNBLNRITJK-CYBMUJFWSA-N	316.810	1.741	50	20	DDGD	
C=C[C@@H](CC)CC(=O)NNC(=O)[C@H]1COc2ccccc2O1	929233045	VHTUEHYJNUPOGB-SMDDNHRTSA-N	304.346	1.576	50	20	DDGD	
Cc1nn(C)cc1C=NNC(=O)[C@H](C)CN1CCCCCC1	755586870	DNUSYIXJBSMBPH-CYBMUJFWSA-N	305.426	1.691	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)c2cc(C)no2)o1	920248878	SNYLUTYHTPQKFH-UHFFFAOYSA-N	320.349	1.493	50	20	DDGD	
O=C(CCCCc1cnn[nH]1)NNC(=O)c1cccc(Cl)n1	857323434	MOJGJQAMIHOFHY-UHFFFAOYSA-N	322.756	1.027	50	20	DDGD	
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NNc1nc(O)c2ccccc2n1	857151372	MOVPGEZWNLUPPJ-ZYHUDNBSSA-N	316.361	1.982	50	20	DDGD	
COc1cc(CCC(=O)NNC(=O)c2ccc(C)cc2O)on1	857007995	ZPUXZZHZTWFCAO-UHFFFAOYSA-N	319.317	1.091	50	20	DDGD	
CC(=NNC(=O)NCc1ccco1)c1c(C)nc(O)nc1O	920828639	DSFNBCWQZLWDGA-UHFFFAOYSA-N	305.294	1.013	50	20	DDGD	
CCC(F)(F)C(=O)NNC(=O)COc1cc(C)ccc1C	854191976	YJVPDSDRCWGVIH-UHFFFAOYSA-N	300.305	1.875	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](C)CN2CCC(C)CC2)nn1	852605176	SHBNGCIVUDPFEQ-CYBMUJFWSA-N	306.414	1.532	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2nc3ccc(Cl)cc3s2)N1	856234156	OIMCPEUGNYGSDE-MRVPVSSYSA-N	310.766	1.671	50	20	DDGD	
Cc1nnc2n1C[C@H](C(=O)NNc1cccc(Cl)c1)CC2	750721739	MVNIPXBEBOXFAN-SNVBAGLBSA-N	305.769	1.946	50	20	DDGD	
C[C@]1(CNCc2cnc3c(C#N)cnn3c2)C[C@@H]1Br	857064971	HDBXLOBRGHCIEY-WCQYABFASA-N	320.194	1.864	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)c1cccnc1N1CCCC1	857729285	QKQGHSOJPHJQQM-UHFFFAOYSA-N	318.768	1.882	50	20	DDGD	
COCCCCNC(=O)NNc1cccc(C(=O)OC)c1C	853368687	OIWXHDAOQMQIQT-UHFFFAOYSA-N	309.366	1.834	50	20	DDGD	
Cn1cc(CCC=NNC(=O)CCCNC(=O)C(C)(C)C)cn1	853408825	XZYMOWSURIRATM-UHFFFAOYSA-N	321.425	1.397	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cccc(OCCC(C)C)c1	756225405	XCAHEHZZSWPDTF-UHFFFAOYSA-N	309.366	1.911	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H]([C@H]2CCCCO2)C1	852594298	BDNSBYJXDJMDGO-MELADBBJSA-N	311.426	1.213	50	20	DDGD	
Cn1cc(C=NNC(=O)c2ccccc2O)c(-c2cccnc2)n1	920360940	CIZKQCMXSDMPEW-UHFFFAOYSA-N	321.340	1.952	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccc([N+](=O)[O-])c(O)c1	855093072	IAXIAMYQEPYRLR-UHFFFAOYSA-N	324.362	1.209	50	20	DDGD	
Cn1ncc2c(NC[C@]3(C)C[C@H]3Br)nc(N)nc21	856787713	QLGQLMBYGWWHHA-HQJQHLMTSA-N	311.187	1.531	50	20	DDGD	
CC(C)n1cc([C@@H](C)NCC(=O)NNC(=O)C(C)(C)C)cn1	754805871	LSUMFYQKZNDDHL-LLVKDONJSA-N	309.414	1.308	50	20	DDGD	
CCc1nnc(CNC(=O)NNc2ccc(Cl)cn2)s1	852346199	AGWWZQVKRKTHKO-UHFFFAOYSA-N	312.786	1.975	50	20	DDGD	
CNC[C@@H](C)NC(=O)NNc1ccccc1OC(F)(F)F	851679221	ANZVIKHJAHBPOG-MRVPVSSYSA-N	306.288	1.819	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@@H]2CCCCN(C)C2)c1	858708575	VGQGGQUQTFJCTN-LBPRGKRZSA-N	324.450	1.732	50	20	DDGD	
C[C@@]1(CNC(=O)NCCN2CC=CCC2)C[C@H]1Br	856956296	XNIPVLJYVZHUHQ-YPMHNXCESA-N	316.243	1.721	50	20	DDGD	
O=C(NNC(=O)C1(c2ccc(F)cc2)CCCC1)c1cc[nH]n1	855362034	MEBSOIFAAHQZTI-UHFFFAOYSA-N	316.336	1.822	50	20	DDGD	
O=C(NNC(=O)c1cccc2c1OCO2)OCC(F)(F)F	856024289	PGRNETUEZQFABN-UHFFFAOYSA-N	306.196	1.349	50	20	DDGD	
C#CCN1CCC(C(=O)NNc2ccc([N+](=O)[O-])cc2F)CC1	855620692	CSKIKRINJFDVQP-UHFFFAOYSA-N	320.324	1.522	50	20	DDGD	
O=C(NN=Cc1cccc2c1CCC2)[C@@H]1CN2CCC[C@@H]2CO1	853390898	RLIZQCAFQSUHOI-WBVHZDCISA-N	313.401	1.489	50	20	DDGD	
Cc1cc(C(=O)NNc2cnnn2C)nn1C1CCCCC1	857272437	ALEHQLMAWMTNOV-UHFFFAOYSA-N	303.370	1.582	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2ncc(Cl)cn2)CN1C1CC1	856877370	QPINKKFHHMHJCG-SCZZXKLOSA-N	310.789	1.381	50	20	DDGD	
CN(C)c1ccccc1NC(=O)NNC(=O)c1cnccn1	755637243	PZNKBNQOKNWVCJ-UHFFFAOYSA-N	300.322	1.009	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc2c(c1)C(=O)NCC2	756617966	QXIWSWCCQMBEOF-UHFFFAOYSA-N	304.350	1.171	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NNC(=O)COc1ccccc1F	862993493	OHOBNBAYEQMKML-LBPRGKRZSA-N	323.368	1.225	50	20	DDGD	
C[C@@H](NNC(=O)Cc1cnn(-c2ccccc2)n1)C(F)(F)F	862310443	XRPHMJHDLBHIID-SECBINFHSA-N	313.283	1.381	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cn[nH]c2)nn1C1CCCCC1	862470992	MYMNOESUJSICIT-UHFFFAOYSA-N	316.365	1.495	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)COCCOC)C1CCC(C)CC1	869907595	OSRZXOKQRCZVAW-JXQTWKCFSA-N	314.426	1.649	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)Nc1ccc(N(C)C)cc1)C1CC1	861570970	RIQQOOPOSXPCSQ-CQSZACIVSA-N	320.393	1.720	50	20	DDGD	
CC(CCc1n[nH]c2ccccc12)=NNC(=O)CS(C)(=O)=O	863186559	BTPQLIYMCXPZJZ-UHFFFAOYSA-N	322.390	1.032	50	20	DDGD	
Cc1cc(NC(=O)c2ccc(B(O)O)cc2)ccc1N1CCCC1	863868778	DOGFABVHHWXNPX-UHFFFAOYSA-N	324.189	1.527	50	20	DDGD	
Cc1cn2ccnc(C(=O)NNc3cc(Cl)nc(C)n3)c2n1	762872203	JGYLJBNZJRSDFS-UHFFFAOYSA-N	317.740	1.546	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cn2ccnc2C2CC2)cc1	863385324	CYGRGHGSYJZOFG-UHFFFAOYSA-N	309.329	1.093	50	20	DDGD	
CCOC(C)(C)C(=O)NNc1ccccc1S(C)(=O)=O	866728726	BTNSLSFYWBXSPP-UHFFFAOYSA-N	300.380	1.348	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21	863853045	NDKOMVXYTQYZDR-KBAYOESNSA-N	321.380	1.832	50	20	DDGD	
CCCc1cnc(NC(=O)C(=O)NNc2cccc(C)n2)s1	861960755	ROGCJMWISYMFDG-UHFFFAOYSA-N	319.390	1.881	50	20	DDGD	
C[C@@H](NNC(=O)c1cc(F)cc2nccnc12)C(F)(F)F	862308714	DQIXUDBRAAUFFD-ZCFIWIBFSA-N	302.231	1.954	50	20	DDGD	
COC(=O)COc1cccc(C(=O)NN[C@H](C)C(F)(F)F)c1	862309627	RTQLJMWUZBNMHO-MRVPVSSYSA-N	320.267	1.424	50	20	DDGD	
C[C@H](OCc1ccccc1)C(=O)NNC(=O)CC(F)(F)F	768982540	SSTHIPMVCLCYBC-VIFPVBQESA-N	304.268	1.692	50	20	DDGD	
CC(C)(C)[C@@H](O)C(=O)NNC(=O)c1cccc2ncccc12	764997767	NNZZPMIBSKZDQZ-ZDUSSCGKSA-N	301.346	1.403	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=S)Nc2ccccn2)CCC1=O	1119115210	GDNNVFXYSTZZKE-UWVGGRQHSA-N	306.391	1.405	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CCO[C@@H](C(F)F)C2)c1	1119007539	KDABIXKNKCLHAE-MRVPVSSYSA-N	319.333	1.377	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1CCc2cc(OC)ccc2C1	875483029	QFJXDJDGTGCHFR-GFCCVEGCSA-N	307.350	1.465	50	20	DDGD	
CC(C)CNC(=S)NNC(=O)c1cncn1-c1ccccc1	1115814573	GFVMJCAYQCOMKY-UHFFFAOYSA-N	317.418	1.637	50	20	DDGD	
O=C(CCc1ccc2[nH]ccc2c1)NNC(=O)c1ccccn1	775631628	SUPAMSJJLPGXAY-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)CCCC2	771907720	BAPCUJCNCMRHFG-LLVKDONJSA-N	318.373	1.668	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C1CCC=CCC1	873430565	RQRCBCDSUVGRBK-LBPRGKRZSA-N	310.394	1.858	50	20	DDGD	
CC(C)CCn1nccc1NC(=O)NNC(=O)c1ccccn1	779471565	TWBKCLGHEBGWEU-UHFFFAOYSA-N	316.365	1.791	50	20	DDGD	
C[C@@H](CBr)COC(=O)C1CCC(NC(N)=O)CC1	770350733	ZBLZXJHQABJFEW-IDKOKCKLSA-N	321.215	1.788	50	20	DDGD	
CC(=O)c1ccc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)o1	773686480	JGCRYXYVNWFWFN-SNVBAGLBSA-N	324.333	1.221	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)N[C@H]1CC12CCC2	876425386	BAODCKCZEHVLCQ-GWCFXTLKSA-N	321.352	1.866	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1scnc1C(C)(C)C	1116182781	VQSGYYJMLJSSCU-UHFFFAOYSA-N	300.453	1.958	50	20	DDGD	
CCCc1cccc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1	774384376	FPTNNVDAZYKGOB-LLVKDONJSA-N	311.407	1.027	50	20	DDGD	
C[C@@H](CBr)COC(=O)C[C@@H]1C=CS(=O)(=O)C1	770331612	AHNAAQOUXVZZBH-IUCAKERBSA-N	311.197	1.509	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2nnc(O)c3ccccc23)C1	776336214	IHESEHXAKQYYMD-VHSXEESVSA-N	314.345	1.533	50	20	DDGD	
N#CSCCCNC(=O)CCNC(=O)OCC(F)(F)F	773571223	KQECSKXYMLBBSQ-UHFFFAOYSA-N	313.301	1.386	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)OC[C@H](C)CBr	770400896	VLKYAEAEGQVNHF-MWLCHTKSSA-N	306.200	1.962	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2ccc(C(F)(F)F)cn2)CN1	775257198	HBLYDJUNHOLESF-ZETCQYMHSA-N	302.256	1.070	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)c2ccccn2)cc(O)n1	775521444	NRXAGHATYYXWGP-UHFFFAOYSA-N	300.318	1.380	50	20	DDGD	
CCCC(=O)N1CSC[C@@H]1C(=O)NCCCSC#N	773594612	WKZWEBPLUZWWIZ-SNVBAGLBSA-N	301.437	1.409	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21)c1ccccc1	779931002	NYVHVFLLLXRPPJ-MGPQQGTHSA-N	302.374	1.537	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)NCC2(N)CC2)cc1	1120666263	DFVLYJSDMSMHOK-UHFFFAOYSA-N	304.394	1.419	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1ccc2c(c1)CCCC2	779821152	PKWTWOXGAZUEAT-UHFFFAOYSA-N	303.362	1.762	50	20	DDGD	
O=C1c2ccccc2CCN1NS(=O)(=O)CCCCl	882488115	PABMYLLWRXSKME-UHFFFAOYSA-N	302.783	1.148	50	20	DDGD	
CO[C@@]1(C(=O)NNC(=O)c2cc3ccccc3o2)CCSC1	889371109	GJSNNSXHTDGYCX-HNNXBMFYSA-N	320.370	1.716	50	20	DDGD	
COc1ccc(C2(C(=O)NNc3cnnn3C)CCCC2)cc1	880122788	LQKLMZGJUZXUJR-UHFFFAOYSA-N	315.377	1.779	50	20	DDGD	
Cc1cccc2nc(CCNS(=O)(=O)CCCCl)cn12	882311808	BYWOFTBQLAJUNQ-UHFFFAOYSA-N	315.826	1.734	50	20	DDGD	
C[C@@H]1C[C@H](CCNC(=O)NNc2ccc(C#N)cn2)CCO1	888791359	KYDJXLMDLIHOQN-VXGBXAGGSA-N	303.366	1.785	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2cc(Cl)ccn2)cn1	784857019	ZCUWILZPEDLREX-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
CCCN(CC(=O)NC)C(=O)[C@H](Br)C(C)(C)C	781079762	VNBDTPAARUCFFZ-JTQLQIEISA-N	307.232	1.781	50	20	DDGD	
C[C@H](NS(=O)(=O)CBr)C(C)(C)CN(C)C	782468677	ZGXXFILEODKONV-QMMMGPOBSA-N	301.250	1.235	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccccc1Cn1cncn1	782562473	IFXQIDBQFNDKHL-UHFFFAOYSA-N	302.338	1.135	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCSC(C)(C)CC1	789339828	ICXDXGHYRZQZTK-LBPRGKRZSA-N	315.483	1.786	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N1CCC(F)CC1	883416186	OEWOLCXWAXNKRE-UHFFFAOYSA-N	319.340	1.431	50	20	DDGD	
CC1(C)OC[C@H](CNC(=O)NNc2c(F)cccc2F)O1	783269982	YZXYSIOLNUOEAX-QMMMGPOBSA-N	301.293	1.742	50	20	DDGD	
COC(=O)CCC(=O)COC(=O)/C(C#N)=C\c1ccc(O)cc1	784022574	TZCIPRAICVFLKC-WQLSENKSSA-N	317.297	1.365	50	20	DDGD	
Cc1cnc(Cl)c(NC(=O)NNC(=O)Cc2cccnc2)c1	787449696	XTSGWJZKAJIVHA-UHFFFAOYSA-N	319.752	1.834	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=S)NC(C)(C)C)cc1F	899992470	YROZADIDKXMOHC-UHFFFAOYSA-N	312.414	1.799	50	20	DDGD	
O=C(Cc1cncs1)NNc1ccnc(Br)c1	783721399	UQOBLKVUTBYHRP-UHFFFAOYSA-N	313.180	1.986	50	20	DDGD	
Cc1cnc2c(C(=O)NC[C@]3(C)C[C@H]3Br)cnn2c1	899041334	HWSFXFBBTUNVGM-MFKMUULPSA-N	323.194	1.941	50	20	DDGD	
Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNC(=S)NC(C)(C)C	899995635	YKQRJRTVVDZAKG-MRVPVSSYSA-N	311.455	1.434	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNC(=O)c1ccc[nH]1)c1ccnn1C	788320952	RZEZEFRMKYMBQM-NSHDSACASA-N	318.381	1.132	50	20	DDGD	
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NNc1nccnc1Cl	894973470	RMIFTPRWHOFUKQ-DTWKUNHWSA-N	312.757	1.553	50	20	DDGD	
COc1ccc([C@@H]2C[C@H]2C(=O)NNC(=S)NC(C)C)cc1	1135528336	YJOQNRITYKMTIU-QWHCGFSZSA-N	307.419	1.702	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H](C(C)C)C2)c(O)c1	892926974	OVKMYFWFURFKFK-SWLSCSKDSA-N	320.389	1.913	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1sc(NC2CC2)nc1C	899939471	PVOPBXGFOAWDFC-UHFFFAOYSA-N	311.436	1.321	50	20	DDGD	
CC[C@@H](O)[C@H](C)C(=O)NNC(=O)COc1cc(C)ccc1C	899940260	IUMTWUKHFMAUNQ-QWHCGFSZSA-N	308.378	1.237	50	20	DDGD	
CCCn1nc(C)c(C=NNC(=O)N2CCN(C)CC2)c1C	790181453	LMBMMQWVNIYASC-UHFFFAOYSA-N	306.414	1.201	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(C(F)F)cc1	794509008	XFUFFDCOPYGGBS-QMMMGPOBSA-N	319.333	1.012	50	20	DDGD	
CN(NC(=O)c1cccnc1OCc1ccccc1F)C(N)=O	790837397	VFRDWZVAGLYOOO-UHFFFAOYSA-N	318.308	1.455	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1cnn(CCO)c1-c1ccccc1	793785425	IXDJFYMJEFXXFW-UHFFFAOYSA-N	323.356	1.116	50	20	DDGD	
CC[C@H](C)n1ncc(NC(=O)C(=O)NNC(=O)C(C)(C)C)c1C	792261685	RZTXRLLBBWMZGB-VIFPVBQESA-N	323.397	1.295	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)C(=O)Nc2cncc(F)c2)c1	799261793	QIHAZQJQZWGKQR-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cnc2scc(C)n2c1=O	791215674	XECKAFDLRAZSMO-UHFFFAOYSA-N	315.358	1.525	50	20	DDGD	
C[C@@H](Oc1ccc(C=NNC(=O)CC(F)(F)F)cc1)C(=O)O	794898095	YAARBOWTSTYVEU-MRVPVSSYSA-N	318.251	1.941	50	20	DDGD	
CCCCNC(=O)NN=Cc1ccc(O[C@@H](C)C(=O)O)cc1	794903915	TXFVKBFIEJAFAQ-NSHDSACASA-N	307.350	1.972	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1cccc(OCC)c1	799918768	ZOSVUQVSFKRSOC-UHFFFAOYSA-N	315.395	1.378	50	20	DDGD	
O=S(=O)(CCCCl)N1CCC(N2CCCCC2)CC1	37842922	XIEXSEVIASDUEH-UHFFFAOYSA-N	308.875	1.895	50	20	DDGD	
CC(C)NC(=S)NNC(=O)Cc1c[nH]c2cc(F)ccc12	1318171248	XPLKWEWPESGDSQ-UHFFFAOYSA-N	308.382	1.753	50	20	DDGD	
COCCn1cc(NC(=O)NCCSSC)ccc1=O	1325837916	FICXPXLSFOTEQI-UHFFFAOYSA-N	317.436	1.627	50	20	DDGD	
O=C(CCl)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1	1320465542	KLFJIFWJFBDLOR-NSHDSACASA-N	319.785	1.580	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc(N2CCCC2)c1	1329338896	KNGZCADLESXXHK-IUODEOHRSA-N	317.389	1.473	50	20	DDGD	
Cc1coc(C(=O)NNC(=O)COc2ccccc2F)c1C	1323462809	TWPPIOWENLBOED-UHFFFAOYSA-N	306.293	1.876	50	20	DDGD	
Cc1nc([C@H](C)NC(=O)NNc2ccc(C(C)(C)C)nn2)no1	1323403802	RKWHOWLKRUQSEK-QMMMGPOBSA-N	319.369	1.853	50	20	DDGD	
COCCn1cc(CNC(=O)NNc2ccc(F)cc2)cn1	1321218394	UGNPKXMQDHZZTC-UHFFFAOYSA-N	307.329	1.495	50	20	DDGD	
Cc1nc(N(C)C)sc1C(=O)NNc1ncccc1[N+](=O)[O-]	1254294139	HBQZBFCGEZYLNA-UHFFFAOYSA-N	322.350	1.578	50	20	DDGD	
CCO[C@@H](C)C(=O)NNC(=O)c1cncn1-c1ccccc1	1337819748	KMMHAKVCDNRFDC-NSHDSACASA-N	302.334	1.058	50	20	DDGD	
CC1(C)CCC[C@H]1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1255110672	JRMPGFVTJIKBQP-NSHDSACASA-N	304.394	1.876	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cccc2c1OCC2(C)C	1256219145	FTBJLGDASWEMLO-UHFFFAOYSA-N	307.419	1.874	50	20	DDGD	
Cn1ccc(NNC(=O)CC2CCN(CC(F)(F)F)CC2)n1	1331667385	OKMXYGKZYJJFME-UHFFFAOYSA-N	319.331	1.528	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1c[nH]c(Br)c1	1341257312	MVKOZQZZWOCPLA-UHFFFAOYSA-N	300.091	1.463	50	20	DDGD	
CN(C)c1cccc(Cl)c1C=NNC(=O)Cc1cc[nH]n1	1261236611	QCLULSPWIYPFDX-UHFFFAOYSA-N	305.769	1.822	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)[C@@H]1CC12CCOCC2	1349005495	HUEIYOWTLLVJIL-JTQLQIEISA-N	306.391	1.216	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2cccn2C)c(Cl)n1	1520298895	FWOCEUOKPGKVOL-UHFFFAOYSA-N	307.741	1.848	50	20	DDGD	
Cc1c(NNC(=O)c2cccc(C(=O)O)n2)cccc1[N+](=O)[O-]	1600054089	IJLIORINHRQXBT-UHFFFAOYSA-N	316.273	1.753	50	20	DDGD	
O=C(O)Cc1cccc(NC(=O)NNC(=O)C2CCCC2)c1	1606312519	XIYQDXPLDVBZDX-UHFFFAOYSA-N	305.334	1.657	50	20	DDGD	
C[C@@H]1CC[C@H](CNC(=O)NNc2ccc(C(=O)O)c(F)c2)O1	1609847795	MGSGJPXSFRKJAO-PSASIEDQSA-N	311.313	1.718	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C/c1ccc(-c2nn[nH]n2)c(OC)c1	1602863773	PJVSXQVVAHVGRF-YRNVUSSQSA-N	310.317	1.084	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2[nH]c(C)c(C(=O)O)c2C)c1	1600648062	NRHFMLINLPIOGM-UHFFFAOYSA-N	321.358	1.774	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1cscc1Br	1602072249	YGYDNTZSBUWKJD-UHFFFAOYSA-N	306.141	1.228	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@H]2CSCCS2)c1F	1610848512	JFNIYXABANALKF-SECBINFHSA-N	316.379	1.816	50	20	DDGD	
O=C(NN=Cc1cncc2ccccc12)[C@@H]1CN2CCC[C@H]2CO1	1549318992	RRJYUPQYNSILBX-RDJZCZTQSA-N	324.384	1.548	50	20	DDGD	
Cc1nc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)sc1C	1550697970	ZBQKLERKKYLGEX-NWDGAFQWSA-N	308.407	1.073	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CCCN)cc(OC)c1C(C)C	1579142177	KXLLNOFXXGYSCS-UHFFFAOYSA-N	323.393	1.327	50	20	DDGD	
C[C@H](C(=O)O)n1cccc1C=NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	1589540285	UCYWZZNTGKSCEM-OJAKKHQRSA-N	305.334	1.151	50	20	DDGD	
C=CC[C@H](NNC(=O)[C@@H](C)Oc1cccc(C)c1C)C(=O)O	1588750310	VRYSAIKSIDDKNF-OLZOCXBDSA-N	306.362	1.721	50	20	DDGD	
C#Cc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1	1588370061	KZCWUPFSKZPCMU-UHFFFAOYSA-N	304.313	1.605	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)[C@@H]1CC[C@@H]2CCCC[C@H]2N1	1580733516	WZELMHRSGNXFMN-RUDNTAQLSA-N	321.421	1.012	50	20	DDGD	
C[C@H](NC(=O)NNc1ncccn1)c1ncc(C(=O)O)s1	1593101575	HLJHOSRLQNOGRQ-LURJTMIESA-N	308.323	1.019	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1590371646	GRSZAOMJRHNJFM-ZDUSSCGKSA-N	318.341	1.361	50	20	DDGD	
COC(=O)c1cccc([C@H](C(=O)O)N2CC=C(C#N)CC2)c1	1598994720	DEGXEWQJVXOIFC-CQSZACIVSA-N	300.314	1.755	50	20	DDGD	
CCc1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c(O)c1	1590886211	YKLJTLOGDUZOGV-UHFFFAOYSA-N	324.344	1.892	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)C1(CC(=O)O)CCOCC1	1594415442	DIQKXXAPVBRPHV-UHFFFAOYSA-N	320.345	1.028	50	20	DDGD	
C[C@H]1[C@@H](NC(=O)NNc2ccc(CC(=O)O)cc2)CCN1C	1594190539	IXPSEUAFQXZBKZ-GWCFXTLKSA-N	306.366	1.032	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1cc2[nH]c(C(=O)O)cc2o1	1776129885	ZUWFEYMAJWYFOA-WEVVVXLNSA-N	317.301	1.519	50	20	DDGD	
COc1ccc(NC(=O)NN=Cc2ccc(C(=O)O)nc2)cc1	1776077649	NYEMQQOTLZGFBM-UHFFFAOYSA-N	314.301	1.944	50	20	DDGD	
O=C(CNC(=O)C1CCCCC1)NNC(=O)Nc1ccccc1	13985168	JSWCXULDAJJPAG-UHFFFAOYSA-N	318.377	1.536	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@H]1COc2ccccc2C1	15758777	YQFQXCYUWRAERH-NSHDSACASA-N	307.419	1.532	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2occc2C)c1	17060750	FJESZSUNIPRROW-UHFFFAOYSA-N	304.302	1.680	50	20	DDGD	
CNc1nc(C(=O)NNC(=O)c2c[nH]c3ccccc23)cs1	153782233	MEJOGUDDKOKZFK-UHFFFAOYSA-N	315.358	1.741	50	20	DDGD	
CCN(CC(=O)NNc1ccc(OC)cc1[N+](=O)[O-])C1CC1	153966611	ZGKJBZBUBFBICZ-UHFFFAOYSA-N	308.338	1.531	50	20	DDGD	
Cc1cc(F)c2nc(O)cc(C(=O)NNc3cnccn3)c2c1	157140590	UDUOHGXHNAYFGE-UHFFFAOYSA-N	313.292	1.935	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCCCc2c[nH]nn2)s1	157671525	LLHZCOPKTHZUKO-UHFFFAOYSA-N	307.379	1.349	50	20	DDGD	
O=C(NNc1ncccn1)N[C@H](CCCO)c1ccccc1	156315708	MBQBERFUUVNYHC-CYBMUJFWSA-N	301.350	1.617	50	20	DDGD	
Cc1cccc2c(O)c(C(=O)NNC(=O)c3cccnc3)cnc12	154941676	QINYJULMFBQRFS-UHFFFAOYSA-N	322.324	1.719	50	20	DDGD	
CC1(C)CCC(C(=O)NNC(=O)C(=O)Nc2ccccn2)CC1	159281817	VYWFAGIQRXLZNA-UHFFFAOYSA-N	318.377	1.384	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)C(=O)Nc1cccc2[nH]ccc12	159511422	HPVJXJURORCBEF-UHFFFAOYSA-N	322.324	1.568	50	20	DDGD	
CCOC(=O)NCC(=O)N(C)NC(=O)OCc1ccccc1	862287446	TVMXEXSHNPJNNY-UHFFFAOYSA-N	309.322	1.032	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)c2cccnc2)o1	55542928	YLFDUBRWZNZBJS-UHFFFAOYSA-N	316.361	1.591	50	20	DDGD	
CN(C)c1cc(C(=O)NNC(=O)c2cccc(Cl)n2)ccn1	109310696	DKBQHCXVDHNFBC-UHFFFAOYSA-N	319.752	1.271	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNC(=O)c2ccc3ccccc3n2)c1	21767891	YVQKEMWBFCWJRY-UHFFFAOYSA-N	322.324	1.840	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)C1CC1	55324293	IGCWRTPTCRATSF-CSKARUKUSA-N	322.386	1.207	50	20	DDGD	
O=C(NNC(=O)[C@H]1OCCc2ccccc21)NC1CCCCC1	178860250	XSVTTYFCQJXKME-HNNXBMFYSA-N	317.389	1.964	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccc(F)cc2)c1O	60657331	FOKHZRFSDMHUDS-UHFFFAOYSA-N	304.277	1.615	50	20	DDGD	
Cc1ncccc1C(=O)NNc1nc2ccccc2c(=O)n1C	172022893	YWLZIEVNJSSIGJ-UHFFFAOYSA-N	309.329	1.394	50	20	DDGD	
CC[C@@H]1CN(C(=O)NNC(=O)c2ccc(C#N)cc2)CCO1	60993025	WCRWIEBGOWRNNH-CYBMUJFWSA-N	302.334	1.023	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)c2c[nH]c3ccccc23)cn1	28898369	VLUMABBINIILKH-UHFFFAOYSA-N	323.356	1.704	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)C(F)(F)c1ccccc1	65175841	QNGCVWUCBITZAI-UHFFFAOYSA-N	309.272	1.902	50	20	DDGD	
CCC(CC)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1	42057849	DIODWBHAKDLNRZ-UHFFFAOYSA-N	312.391	1.287	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)c1ccc(O)nc1	171858155	AWMFWRJIHAATNZ-UHFFFAOYSA-N	320.736	1.585	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)Cc2ccncc2)cc1	175800352	QBGIPXYQTDUYIG-UHFFFAOYSA-N	315.398	1.872	50	20	DDGD	
Cc1cccc(-n2cc(C(=O)NNc3cc(C)ncn3)nn2)c1	172282218	KTIPRXWQUAHLDA-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1cccc2cccnc12	172198309	NVEWUHLBSSHDHI-UHFFFAOYSA-N	307.375	1.590	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O	184543563	JBGXUKXOVOENIK-LURJTMIESA-N	320.271	1.593	50	20	DDGD	
C[C@H](CCC(C)(C)C)NC(=O)NNC(=O)C(=O)N1CCCC1	77625364	ZKOUZDWCSGRJKZ-LLVKDONJSA-N	312.414	1.154	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1ccc(N2CCOCC2)cc1	122278664	YRNCAVHHFVGHDX-FYWRMAATSA-N	315.373	1.583	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)Nc1ccc(F)cn1	122867382	MARUNWDPXLJSSC-UHFFFAOYSA-N	306.272	1.755	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)Nc2ccncc2F)c1	184157054	AFSLLFHFPBTHAP-UHFFFAOYSA-N	317.324	1.753	50	20	DDGD	
COc1ccc(F)cc1NC(=O)NNC(=O)c1cc(C)n[nH]1	183459065	KJSZBJICKZUING-UHFFFAOYSA-N	307.285	1.332	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cccnc2)cc1F	184069967	XRLUNZGGQQSVGU-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)COC2CCCC2)c(C)c1	76950334	HLCUZYWZPPCYQW-UHFFFAOYSA-N	319.405	1.822	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCC1(C2CC2)CC1	123949171	JRQLQIIMSUVBHF-UHFFFAOYSA-N	305.353	1.889	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C(C)(C)C)c1nc(C(C)(C)C)no1	74897724	XNSPNMHGZAFYEM-QMMMGPOBSA-N	311.386	1.805	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NC[C@@H]1CCCC[C@H]1O	185720549	CJXLTYNSDNEPDZ-HKLGTKQWSA-N	300.358	1.966	50	20	DDGD	
O=C(CCN1C(=O)COc2ccccc21)NNc1ccccc1	78426959	VWIWQYJAKBMYJH-UHFFFAOYSA-N	311.341	1.945	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccc(SC(F)F)cc1	75653801	XTTQUCWLIWCSOR-UHFFFAOYSA-N	303.334	1.324	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2cccc(S(C)(=O)=O)c2)n[nH]1	181146343	XNTMCQSLVJXICR-UHFFFAOYSA-N	322.390	1.694	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	188880096	LZNBKHIEJORFFI-UHFFFAOYSA-N	302.290	1.317	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H](C)N1CCc2ccccc2C1	134706602	PCKGODLPZUJDFC-GFCCVEGCSA-N	304.394	1.172	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2cccs2)c(O)c1	48655634	NUAISXUZEJSWNP-UHFFFAOYSA-N	312.372	1.385	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@H](C)C2)c1	88422367	OQOCEEHLMXBVEE-LZWOXQAQSA-N	320.437	1.967	50	20	DDGD	
COc1nccnc1NNC(=O)Cc1cccc([N+](=O)[O-])c1	131788002	ZFJWDQMSHXEQHD-UHFFFAOYSA-N	303.278	1.079	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CCn1cccn1	47668891	AOTZLQLLBGTDMV-NSHDSACASA-N	320.324	1.027	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C[C@@H]2CCCOC2)cc1	195324686	LFRYIYUTJYUDIB-AWEZNQCLSA-N	320.389	1.592	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CC(C)(C)C)c1[N+](=O)[O-]	193218279	GJOQBVJNOGJTRB-UHFFFAOYSA-N	309.322	1.801	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCOC[C@@]12CCOC2	195184295	KNWTVRKGRLVLTI-DZXKJOIRSA-N	314.341	1.317	50	20	DDGD	
COC(=O)c1ccc(C)c(NC(=O)NNc2ncccn2)c1	149177812	NKAJJHUWKKAOQA-UHFFFAOYSA-N	301.306	1.720	50	20	DDGD	
CNC[C@H](C)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	237337890	AWDZKKCVAMFDNM-QMMMGPOBSA-N	309.757	1.689	50	20	DDGD	
CC(=O)N1CCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)CC1	255109543	WICBREMWPKEIDR-GXDHUFHOSA-N	301.321	1.423	50	20	DDGD	
O=C(NNc1nccnc1Cl)[C@@H]1CCCN1C1CCCC1	269698691	PJPUHIVHDQTHGX-NSHDSACASA-N	309.801	1.980	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCCOCCOC)c1ccccc1	264699888	GOJIHIZJAZYPSD-AWEZNQCLSA-N	323.393	1.174	50	20	DDGD	
N#CC1(C(=O)NNC(=O)COc2ccc(F)cc2)CCCC1	265056819	MJYYBQIMFKRCQR-UHFFFAOYSA-N	305.309	1.436	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNC(=O)c2ccc(C#N)cc2)no1	266186529	ZKCWDFLRAKGBLF-UHFFFAOYSA-N	312.329	1.919	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H](C)c2cnn(C)c2)cc(C#N)n1C	266068126	JUBZGYUYADOIBY-MUKINBEESA-N	322.372	1.723	50	20	DDGD	
C[C@H]1CC[C@H](NC(=O)NNC(=O)COc2ccccc2O)CC1	264486495	AGVBRRNJBCIIFC-HAQNSBGRSA-N	321.377	1.680	50	20	DDGD	
COCCCNC(=O)NNC(=O)C[C@@H](C)c1ccc(OC)cc1	267383824	SOSIJJWZBJZJPG-GFCCVEGCSA-N	323.393	1.556	50	20	DDGD	
CCCCCCNC(=O)NNC(=O)COc1ccccc1O	264611837	PRABQTCOVRCPOA-UHFFFAOYSA-N	309.366	1.682	50	20	DDGD	
CC[C@@H](Oc1ccccc1C)C(=O)NNC(=O)NCCCOC	267214142	STSTXQNZKXTHAL-CYBMUJFWSA-N	323.393	1.519	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@@H](n2cncn2)C1	364476227	JIZLRWDNUMZWLK-MYWXAZLQSA-N	311.320	1.798	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H](F)C(F)(F)F)cc1	278548909	GQLRRRFODKGBCB-JTQLQIEISA-N	308.231	1.422	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2cc[nH]c2C)nc1C	272158827	HIWVRQDSBRNTDM-UHFFFAOYSA-N	303.322	1.355	50	20	DDGD	
Cc1cc(C)c(NC(=O)C(=O)NNC(=O)CC2CC2)c(C)c1	274097664	VUQOSTBAFKYDMU-UHFFFAOYSA-N	303.362	1.498	50	20	DDGD	
COC(=O)NNC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1	376950193	QRPFJBJTJIYZHI-CYBMUJFWSA-N	319.361	1.234	50	20	DDGD	
CCC[C@@H]1C[C@H]1NC(=O)NNC(=O)COc1ccccc1F	281275547	YWAJYXMQSQSROX-ZYHUDNBSSA-N	309.341	1.724	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@H]1OCCc2ccccc21	281405821	YVFDSFNXVWXOGV-JTQLQIEISA-N	317.267	1.193	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1	286272783	IFURQEREPSPNLG-AAEUAGOBSA-N	319.361	1.326	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@H]1CCCN(C(=O)N2CCCC2)C1	285138888	OBBIMPYROYVQIR-CMPYXILNSA-N	320.393	1.227	50	20	DDGD	
O=C(NCC(Cl)Cl)c1cn(Cc2cccs2)nn1	288700139	BVNZQNCKZZRXTR-UHFFFAOYSA-N	305.190	1.921	50	20	DDGD	
Cc1nnc([C@@H](C)NC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)[nH]1	286297187	HZNNCCLETGNFGI-ACJFOYDFSA-N	323.360	1.416	50	20	DDGD	
CN(CCCNC(=O)NNc1ccncn1)C(=O)OC(C)(C)C	296514438	CNHWZQCVVLVFEC-UHFFFAOYSA-N	324.385	1.360	50	20	DDGD	
O=C(Cc1ccc(Cl)cn1)NNC(=O)c1ccccc1O	806344727	KXFHZQPHCPQFGE-UHFFFAOYSA-N	305.721	1.444	50	20	DDGD	
CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)[C@@H]1CCCO1	293998752	MAWLGTYKQHUBIH-KBPBESRZSA-N	306.362	1.479	50	20	DDGD	
CS[C@@H](C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)c1ccccc1	293770686	AQMXCGPFKYKVMA-WCFLWFBJSA-N	308.403	1.806	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)COC1CCCC1	298714757	KMMYMXWDOYTXKF-UHFFFAOYSA-N	320.389	1.734	50	20	DDGD	
COCCc1ccnc(NC(=O)NNC(=O)c2ccncc2)c1	806659806	FXPUZYNPBKPIOA-UHFFFAOYSA-N	315.333	1.132	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccc2c(c1)CN(CC(F)F)C2	297149611	UJPLLOMMOJLCIM-UHFFFAOYSA-N	324.331	1.830	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C/c1cn(-c2ccccc2C)nn1	806572565	JWODWDGHEAJUHL-MDWZMJQESA-N	302.359	1.875	50	20	DDGD	
Cc1oc(-c2ccco2)nc1CC(=O)NNC(=O)NC1CC1	299668688	NAHODUQFICAJDT-UHFFFAOYSA-N	304.306	1.278	50	20	DDGD	
Cc1nnc(COCC(=O)NNc2ccc(F)cc2C)s1	802828679	PDSGDSBXWRABSL-UHFFFAOYSA-N	310.354	1.954	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CCN(c2ccccc2Cl)C1	809982849	QZQVQWPMHADURE-LLVKDONJSA-N	309.797	1.970	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1nc(-c2ccccc2)no1	298201866	YAGBGNLUZGCJKO-VIFPVBQESA-N	303.322	1.935	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1	807380074	AWSIXMCJWBRUQX-SOUVJXGZSA-N	322.453	1.581	50	20	DDGD	
CC(C)OC(=O)CCCNC(=O)NNc1ncc(F)cc1F	298477512	UYARIDWFPVHTHE-UHFFFAOYSA-N	316.308	1.718	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CC2CC2)cc1	298335716	HWQDPNLLTBGRRU-NSHDSACASA-N	306.362	1.800	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)c1ccccc1F)OC	293361254	HLEFJCGZVBBAQU-UHFFFAOYSA-N	311.357	1.975	50	20	DDGD	
Cn1nncc1NC(=O)NNc1ccc(C(F)(F)F)cc1	809904591	ZKJWARHYIHVKBU-UHFFFAOYSA-N	300.244	1.983	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)Cn2ccnc2C)c1	297365438	LEMZHWIOWNBSGW-UHFFFAOYSA-N	316.361	1.035	50	20	DDGD	
Cc1ocnc1C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802124799	UYVYAISKEDIOBI-UHFFFAOYSA-N	303.322	1.516	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O	299077117	IPUYYBUGMLHTQF-GFCCVEGCSA-N	321.352	1.372	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)co1	802104570	GAPPYWZRFUWAAT-UHFFFAOYSA-N	304.262	1.178	50	20	DDGD	
COc1ccc(NNC(=O)[C@](C)(O)C2CCC2)c([N+](=O)[O-])c1	813486574	DBZWZWXTGREAGF-CQSZACIVSA-N	309.322	1.598	50	20	DDGD	
O=C(NNC(=O)N1CCO[C@H]2C[C@H]21)c1ccc2ccccc2c1	814279225	PNFJEWPDYATFMO-CABCVRRESA-N	311.341	1.667	50	20	DDGD	
CO[C@H]1CCC[C@@H](C(=O)NNC(=O)COc2cccc(C)c2)C1	814363733	VQNNIHUFZPAROZ-KGLIPLIRSA-N	320.389	1.726	50	20	DDGD	
COC(=O)[C@@H]1C[C@H]2CC(=NNC(=O)Cc3csc(C)n3)[C@H]1C2	817323697	HOTIOBKNKWRGLQ-ZMLRMANQSA-N	321.402	1.685	50	20	DDGD	
O=C(NNc1ncncc1F)c1cc2nccnc2cc1F	817082222	QRUUJQIBLUNSBA-UHFFFAOYSA-N	302.244	1.455	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)CCc2ccccc2O)cn1	814840853	SYBIDXOOCIYCPP-UHFFFAOYSA-N	313.361	1.331	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CC[C@@H]2CNc3cccc1c32	814776738	IMZHGGKCNAFQTL-SNVBAGLBSA-N	300.362	1.334	50	20	DDGD	
Cn1ncc(C=NNC(=O)CNC(=O)OC(C)(C)C)c1Cl	814897597	AEGHOKMFKCRKGC-UHFFFAOYSA-N	315.761	1.048	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)N[C@H]1CCn2ccnc2C1	814322771	GLZPMDNAZGRZIC-VIFPVBQESA-N	306.757	1.573	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CCc1ccnc(C)n1	815542809	TZNMNUBFNOUZGH-UHFFFAOYSA-N	314.345	1.187	50	20	DDGD	
COC(=O)CCn1nc(C)c(C=NNC(=O)CC2CC2)c1C	814989520	NRLRRILNLPYPHG-UHFFFAOYSA-N	306.366	1.313	50	20	DDGD	
Cn1c(=NNC(=O)[C@H](N)CCCC#N)sc2ccccc21	818043027	HALJXHDOZZNBKE-SNVBAGLBSA-N	303.391	1.193	50	20	DDGD	
CCC[C@@H]1C[C@H]1C(=O)NNc1nccc(N2CCOCC2)n1	812533755	VGRXJKOIKURBRS-VXGBXAGGSA-N	305.382	1.193	50	20	DDGD	
CN(C)c1cc(C#N)cc(C(=O)NNC(=O)Cc2ccncc2)c1	814412628	NYXRVELRQYAMLF-UHFFFAOYSA-N	323.356	1.023	50	20	DDGD	
C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)NNc1ncncc1F	814335006	DXVKDSOQELRXMG-QPUJVOFHSA-N	303.297	1.764	50	20	DDGD	
COc1ccccc1CN(CC(=O)NNC(=O)C(C)C)C1CC1	827434336	FJJZDJVVIBSGJI-UHFFFAOYSA-N	319.405	1.463	50	20	DDGD	
Cc1ccn(C)c(=O)c1NC(=O)/C(C#N)=C\c1ccc(O)cc1	490970194	GHEGBFOTPDYTGU-LCYFTJDESA-N	309.325	1.945	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc(Cl)o1	825164089	CXPHJROHGSMDMD-UHFFFAOYSA-N	305.787	1.421	50	20	DDGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NOCCO)c1C	490692648	HKCFIZPSWZRCDU-GDNBJRDFSA-N	305.378	1.852	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)nn1	491173281	CEXZIDHTDVJLOX-UXBLZVDNSA-N	311.301	1.132	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)N(C)CC(Cl)Cl)C2	497136495	XCACHGDUOGTRSJ-AEJSXWLSSA-N	321.204	1.891	50	20	DDGD	
CCN(CCSC)C(=O)NNC(=O)c1ccccc1OC	825973317	CPOIRCDWCWTEIP-UHFFFAOYSA-N	311.407	1.735	50	20	DDGD	
O=C(CC1CCN(CC(F)(F)F)CC1)NNc1cnccn1	822062590	PXTYMDZVFKJISD-UHFFFAOYSA-N	317.315	1.584	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)C(C)(C)C)c1cccc(OC)c1	821232540	ZULVKVOHJFMEDS-CYBMUJFWSA-N	323.393	1.759	50	20	DDGD	
CC1CCN([C@@H](C)CNC(=O)/C(C#N)=C\c2cnn(C)c2)CC1	491107571	VUFBWYKFNDYYSD-XTIFCCNPSA-N	315.421	1.564	50	20	DDGD	
C=CCC(F)(F)C(=O)NNC(=S)NCCc1cccs1	820176200	BVTPRLINGKUCNA-UHFFFAOYSA-N	319.402	1.997	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(C)Cc1ccc(C(=O)NC)cc1	490754392	OADZUYPCXFUKDY-KAMYIIQDSA-N	301.346	1.449	50	20	DDGD	
N#Cc1cccc(C(=O)NN=C2C(=O)Nc3ccc(F)cc32)c1	728784677	JXMAHAHWURQSLN-UHFFFAOYSA-N	308.272	1.784	50	20	DDGD	
CC[C@@H](C)CCNC(=O)NNC(=O)COc1ccc(OC)cc1	820873102	KTHSNFYSXPPXAN-GFCCVEGCSA-N	323.393	1.841	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCc2cc(F)ccc2[C@@H]1C	827867619	ZTIUCHIDYDKPED-NSHDSACASA-N	307.369	1.548	50	20	DDGD	
CC(C)OC(=O)[C@H](C)CNC(=O)[C@]1(C)C[C@@H]1Br	821912427	ZHMQHSCEICBGAN-VDDIYKPWSA-N	306.200	1.864	50	20	DDGD	
CN1CCN(C)[C@H](CNC(=O)/C(C#N)=C\c2ccc(F)cc2)C1	490879199	QRINVSPOOHUZOT-IHWMJMDHSA-N	316.380	1.095	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1ccccn1)C(=O)c1ccccc1	732749530	AZSSVFZQDGQTCX-LBPRGKRZSA-N	311.341	1.752	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C/C=C\Cc1ccccc1	824016874	UOZGNLVQOSSOCL-BIWZVIQBSA-N	302.374	1.748	50	20	DDGD	
O=C(CCCNC(=O)C1CC1)NNc1cnnc2ccccc12	733812461	ZUZGHOJJSLMPFG-UHFFFAOYSA-N	313.361	1.379	50	20	DDGD	
O=C(CNc1ccccc1F)NN=Cc1cnc2n1CCOC2	905419411	LQCSNULSNMEKHR-UHFFFAOYSA-N	317.324	1.115	50	20	DDGD	
C[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)[C@@H]2CCCC[C@@H]12	584929596	SKSRRXYACCDCTH-PVXIVEMSSA-N	319.185	1.546	50	20	DDGD	
CCC[C@@H](C)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	494045027	WAWSCDWSVCBFHQ-LLVKDONJSA-N	315.414	1.875	50	20	DDGD	
CN(NC(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O)c1ccccc1	836691505	QYYJWAOAKBGQGW-UONOGXRCSA-N	302.378	1.490	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(Cl)cc2)C1	838749529	WIXCVDKXDAZKJA-TXEJJXNPSA-N	311.769	1.852	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCc2ccn(C)n2)c1F	837062403	YSFMWMDYCLHKDC-UHFFFAOYSA-N	320.324	1.422	50	20	DDGD	
Cc1nnc(NNC(=O)c2ccccc2OC2CCC2)nc1O	735688503	XANCJWQGDRXCIA-UHFFFAOYSA-N	315.333	1.574	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H]2CC23CCOCC3)cc1	836611032	LXCDDIZWTBVFOO-AWEZNQCLSA-N	317.389	1.762	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccc(OC(F)F)cc1)N(C)C	838685886	XTPPIMUEYAYNNR-VIFPVBQESA-N	302.325	1.864	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)C1CC1)N1Cc2ccccc2C1=O	905089012	CKJRXNSVEALCGR-CQSZACIVSA-N	315.373	1.224	50	20	DDGD	
COc1c(F)cc(S(=O)(=O)NNC(=O)CC(C)C)cc1F	901837615	UQRFJJNNGWGUOC-UHFFFAOYSA-N	322.333	1.329	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(F)cn1)c1nnc2ccccn12	731359277	OUUNHLCMGGQTMS-VIFPVBQESA-N	315.312	1.651	50	20	DDGD	
C[C@@H]1CC[C@H](CNC(=O)NNC(=O)C(C)(C)c2ccccc2)O1	838740479	AGEPPXISGJRCMF-TZMCWYRMSA-N	319.405	1.862	50	20	DDGD	
C=CCN1C(=O)C(=NNC(=O)c2c[nH]nc2C)c2ccccc21	735410847	ZUKCBHAYWGRIKN-UHFFFAOYSA-N	309.329	1.385	50	20	DDGD	
CCC[C@@H]1CCCC[C@@H]1CNC(=O)NNC(=O)C(=O)NC1CC1	838723548	PIZPRTZTVNGRHM-VXGBXAGGSA-N	324.425	1.202	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1)c1cnccn1	734745534	OEYOHNZHAPXIDS-JHJVBQTASA-N	319.409	1.062	50	20	DDGD	
NS(=O)(=O)c1ccc(CC(=O)NNc2ccccc2)cc1	732265877	JSHKIFZROWODAR-UHFFFAOYSA-N	305.359	1.020	50	20	DDGD	
CN(C)CC(=O)NNC(=O)CCCC[C@H]1CCSS1	733359236	AOYNCCNCZSFZFO-JTQLQIEISA-N	305.469	1.410	50	20	DDGD	
O=C(CCOc1ccc(F)c(Cl)c1)N1CC[C@@H](B(O)O)C1	585075667	IEBPXINLYMNSOH-SECBINFHSA-N	315.537	1.323	50	20	DDGD	
CCCN1C[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2C)CC1=O	839764675	FVEGXEFALLOJKA-LLVKDONJSA-N	320.349	1.605	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1cc(Cl)ccc1-c1nn[nH]n1	736586742	PJDZKGDZWLRSOI-BQYQJAHWSA-N	318.724	1.903	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@H]2C(=O)NCC(Cl)Cl)cn1	837644866	DAZHSTACDXOZAP-KOLCDFICSA-N	306.193	1.808	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)NC1CCN(C2CCC2)CC1	836425734	XEPMFLXWQZLMFY-UHFFFAOYSA-N	308.426	1.524	50	20	DDGD	
CCCN1C[C@H](C(=O)NN=c2cc[nH]c3ccccc23)CC1=O	839664105	ORFMBOKVRIOLHC-GFCCVEGCSA-N	312.373	1.358	50	20	DDGD	
CN(CCC(=O)NNC(=O)[C@H]1CCCCO1)C1CCCCC1	833778793	KFNKMAPWLBCJIW-CQSZACIVSA-N	311.426	1.358	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(-c2ccc(C)cc2)[nH]n1	836484529	WFDJRVHGFJPHKE-UHFFFAOYSA-N	315.402	1.680	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H]1CCC[C@@H]2C[C@H]12	838776012	IRDGCGSANBVMOH-WXHSDQCUSA-N	303.362	1.828	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NNC(=O)[C@H](C)CC)cc1C	917744852	GLDPQXRUWRYPJS-SNVBAGLBSA-N	314.407	1.749	50	20	DDGD	
Cc1nc(NC(=O)NNC(=O)C2CC2)ccc1-c1cnn(C)c1	836706642	SKNNITFYVGAARS-UHFFFAOYSA-N	314.349	1.353	50	20	DDGD	
C[C@]1(C(=O)NCc2cc(O)nc(S)n2)C[C@H]1Br	911853831	FLPYXTFZEKHCNN-LDWIPMOCSA-N	318.196	1.261	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc(CC(C)C)c[nH]2)n1	839748462	RTZSZNJMUGNVAF-UHFFFAOYSA-N	300.362	1.991	50	20	DDGD	
CCC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1ccccc1	916363748	YIFANRPUZMUDIP-AWEZNQCLSA-N	303.406	1.885	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=Cc1cnn(C)c1	917209880	CDRMWOBZQZHJGK-UHFFFAOYSA-N	302.334	1.348	50	20	DDGD	
O=S(=O)(NNc1ncccn1)c1ccc(CCCl)cc1	917735825	XLLSCFFTAYYVMB-UHFFFAOYSA-N	312.782	1.563	50	20	DDGD	
CN(C)C(=O)[C@@H]1CCN(C(=O)[C@]2(C)C[C@H]2Br)C1	910424198	LXZMRRGBZXMRNI-KBVBSXBZSA-N	303.200	1.097	50	20	DDGD	
CC[C@@H](N)CNC(=O)NNc1ccc(C#N)cc1C(F)(F)F	842008313	UBYQDBDTNRPIDV-SECBINFHSA-N	315.299	1.940	50	20	DDGD	
Cc1ccc(C[C@H](C)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	843662509	RJAOMBNOWVBOBM-KCQAQPDRSA-N	304.390	1.746	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NCCC1CCNCC1	846215430	YQZBZDWTHCIQEV-UHFFFAOYSA-N	318.421	1.258	50	20	DDGD	
CCCOc1ccc(C(C)=NNC(=O)CN2CCCC2=O)cc1	916357656	COGZQSMKKYVWCZ-UHFFFAOYSA-N	317.389	1.938	50	20	DDGD	
CN(CC(=O)NNC(=O)C(C)(C)C)C1Cc2ccccc2C1	744390855	LYCMKFPILDKQSH-UHFFFAOYSA-N	303.406	1.279	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccc(N)cc2)ccc1OCC#N	916264994	FDDHXWNAOLWENI-UHFFFAOYSA-N	324.340	1.944	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)cc([N+](=O)[O-])c1O	842560602	YELXSHUSJOVILN-PSASIEDQSA-N	323.305	1.184	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNC(=O)NC2CC2)ccc1[N+](=O)[O-]	840289532	SBMMZOGNUMWHFD-UHFFFAOYSA-N	322.321	1.488	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H](Br)C(C)(C)C	843979512	OTEIKYWCBATCTQ-CIUDSAMLSA-N	321.215	1.368	50	20	DDGD	
C[C@H](Cc1ccc(C#N)cc1)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	847100964	XLKXTPOKZHLCBX-LALPHHSUSA-N	315.373	1.309	50	20	DDGD	
CS(=O)(=O)c1ccccc1C(=O)NNc1ccc(C#N)cc1	748113064	FVZWDDYDNRVWFX-UHFFFAOYSA-N	315.354	1.719	50	20	DDGD	
CCCN(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	847035014	YFPHMUSAHBFRQV-UHFFFAOYSA-N	322.365	1.476	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CCc2nc(C)no2)cc1	846370613	MQKCALNEJHMWIE-UHFFFAOYSA-N	318.333	1.169	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@H]1SCCc2ccccc21	742595050	GXBVBROJYUMZLY-ZDUSSCGKSA-N	321.402	1.090	50	20	DDGD	
CC[C@@H](Oc1ccccc1C)C(=O)NNC(=O)c1ncccn1	841349827	AEEFIQKIGZOTGG-GFCCVEGCSA-N	314.345	1.404	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)C2CC2)c2cccc(Cl)c2O1	846902810	UTAXJCVIQOHXBT-SECBINFHSA-N	323.780	1.485	50	20	DDGD	
C[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)[C@H]1c1ccccc1	748822296	AQTXEKQBXMXQGL-SWLSCSKDSA-N	303.406	1.873	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C#Cc2ccccc2)c1	747344553	FULRVUFRYGSZPJ-UHFFFAOYSA-N	324.336	1.517	50	20	DDGD	
CCn1cncc1C=NNC(=O)c1cc(OC)cc(OC)c1	841610322	LQPULDUPVTZMPD-UHFFFAOYSA-N	302.334	1.684	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1cnc2nccnc2c1	759355919	QGZDIYBLIASKCD-UHFFFAOYSA-N	322.328	1.800	50	20	DDGD	
COc1cc(NC(=O)NC[C@]2(C)C[C@@H]2Br)ncn1	856848178	CPHITFUASKSAEW-CPCISQLKSA-N	315.171	1.780	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C	854919777	FGBJELXGOKDHNL-RKDXNWHRSA-N	318.443	1.003	50	20	DDGD	
CCOCCn1cc(C(=O)NNc2nc(C)cc(C)n2)cn1	856794072	UHIYBRCBWKQJDV-UHFFFAOYSA-N	304.354	1.083	50	20	DDGD	
Cc1nnc(NNC(=O)CCc2cccnc2Cl)nc1O	856792689	AHNFVULGSHVPLS-UHFFFAOYSA-N	308.729	1.010	50	20	DDGD	
O=C(NNC(=O)N1CC[C@@H]2C[C@@H]2C1)c1cccc2cccnc12	852031088	XYSPWBUZXVJIML-CHWSQXEVSA-N	310.357	1.931	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NC[C@]1(C)C[C@H]1Br	857400706	CDRRCFBTWXPOOS-SKDRFNHKSA-N	300.200	1.940	50	20	DDGD	
C[S@@](=O)c1cccc(NC(=O)NNC(=O)c2cccnc2)c1	756523389	CVOXIOLPPQATIQ-JOCHJYFZSA-N	318.358	1.286	50	20	DDGD	
CO[C@@H]1CCC[C@H](CC(=O)NNC(=O)OCC(F)(F)F)C1	856020506	JZAUEJTXQGHBIB-DTWKUNHWSA-N	312.288	1.901	50	20	DDGD	
Cc1c(C(=O)NNc2ccncn2)nnn1CC1CCCC1	857521383	GPYXTWNLNZADCX-UHFFFAOYSA-N	301.354	1.324	50	20	DDGD	
CC1=NO[C@@H](C(=O)NNC(=O)c2cc3c(s2)CCCCC3)C1	854249536	GUCRPRAOOJVXFA-LLVKDONJSA-N	321.402	1.943	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@H](c2cnn(C)c2)C(C)C)cc[nH]1	927429866	NFMSTXHFPKNECJ-AWEZNQCLSA-N	302.382	1.569	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(C)n(-c2cnn(C)c2)c1C	854410397	ZCGPLNWZFFXDIR-UHFFFAOYSA-N	305.338	1.171	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=O)c2cccc(C#N)c2)C1	857856604	MTPKIZJROYWZMZ-IINYFYTJSA-N	323.356	1.408	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2cccc3c2OCO3)n1	753451035	DOMDLKZDYYZQSI-UHFFFAOYSA-N	307.697	1.198	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(F)c(Cl)c1	755763916	QWVOQQONEHPIBJ-SECBINFHSA-N	302.733	1.981	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C[C@@H]1CCC(=O)N1C	854457950	VHYJVSYILABEJL-JTQLQIEISA-N	306.322	1.357	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cnn(C(C)C)c2N)c1	758634671	DRSGJHKDEMWULE-UHFFFAOYSA-N	317.349	1.590	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cc1cccnc1Cl)C1CC1	869218049	CQPLJXCEUUWXRM-MRVPVSSYSA-N	312.826	1.571	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC[C@@H](N2CC=CC2)C1	866876408	IPQBPEUGZHJLMR-GFCCVEGCSA-N	306.859	1.527	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H]1CCN(C2CCCCC2)C1	764466319	ZXKMLUUVJBNHDD-LBPRGKRZSA-N	319.409	1.583	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)c1cn[nH]c1)O[C@H](C)C2	863155856	BASGNFDFTPVVMZ-SECBINFHSA-N	300.318	1.506	50	20	DDGD	
CNC(=O)[C@H]1CCCN(S(=O)(=O)CC(C)(C)CCl)C1	866768948	HFQZPHZTDNMTBT-JTQLQIEISA-N	310.847	1.039	50	20	DDGD	
Cc1cn2ccnc(C(=O)NNC(=O)c3ccccc3C)c2n1	761418844	RVPOIRMSUCMFBK-UHFFFAOYSA-N	309.329	1.421	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)N[C@@H]1C[C@H]1C(F)(F)F	868988393	DJUXDBHJJDTYKN-GHMZBOCLSA-N	315.295	1.900	50	20	DDGD	
COC(=O)COc1ccc(C(=O)NN[C@H](C)C(F)(F)F)cc1	862308396	DODJLVJXTVHBQV-MRVPVSSYSA-N	320.267	1.424	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)ns1	766376093	UMMQQSSQFJJDKI-UHFFFAOYSA-N	319.342	1.298	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCc2nc(C)cs2)c(O)c1	768204389	IFSXUWWNUVVYRB-UHFFFAOYSA-N	319.386	1.859	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC2C[C@@H](C)O[C@H](C)C2)n1	767317059	HGGBVFMNZVBIBJ-NXEZZACHSA-N	309.370	1.376	50	20	DDGD	
CCN(CC)[C@@H](C(=O)NNC(=O)c1cn[nH]c1)c1ccccc1	862472319	XJTMHMMPRGNUDU-CQSZACIVSA-N	315.377	1.254	50	20	DDGD	
CCc1ccc(F)cc1C(=O)NNC(=O)C(=O)NC(CC)CC	866026667	IGJHTUUITWSXOC-UHFFFAOYSA-N	323.368	1.454	50	20	DDGD	
C[C@](NC(=O)NNC(=O)Cc1cc[nH]n1)(C1CC1)C(F)(F)F	933578051	DQUGBHUQBNNDHR-NSHDSACASA-N	319.287	1.014	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1	765130683	AYBPMYOXXRRMIT-UHFFFAOYSA-N	311.301	1.918	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCc1ccc(CN)cc1	866774947	XPSSTVDTENRZSD-UHFFFAOYSA-N	304.843	1.830	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)CNc2ccc(C)cc2)c(C)n1	863853571	LYPDGWMSVPLZFL-UHFFFAOYSA-N	315.377	1.393	50	20	DDGD	
Cc1cc(=NNC(=O)Nc2cccnc2N2CCCC2)cc[nH]1	860448850	MNQDQMZFVAYOLR-UHFFFAOYSA-N	312.377	1.956	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1c[nH]c2ccc(C#N)cc12	760261163	ZRBCXIIKYMXVFG-LLVKDONJSA-N	314.345	1.541	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2C[C@]23CCOC3)c1	763728395	NWSAUDFRXZEMLG-DOMZBBRYSA-N	305.403	1.739	50	20	DDGD	
C[C@H](NNC(=O)[C@H]1CN(C)C(=O)c2ccccc21)C(F)(F)F	862318909	YYVZLKZDPLGKOZ-KWQFWETISA-N	315.295	1.427	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@@H]1CCCN(CC(F)F)C1	867300505	GHJXGDUAHLIACS-SECBINFHSA-N	302.300	1.641	50	20	DDGD	
CCc1cccc(CC)c1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1	860259609	BNIHLZNBIMFVLI-LBPRGKRZSA-N	318.377	1.243	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(C(F)(F)F)c(F)c1	861802873	PPADGQNADDKGHZ-UHFFFAOYSA-N	321.230	1.340	50	20	DDGD	
CC(=NNC(=O)c1cc(C)[nH]n1)c1nnn(-c2ccccc2)c1C	764797632	SWWRWUIGCUQLIB-UHFFFAOYSA-N	323.360	1.761	50	20	DDGD	
N#Cc1ccc(Br)c(NNC(=O)CCCCO)c1	869256879	SKUZKOFLCIGAED-UHFFFAOYSA-N	312.167	1.926	50	20	DDGD	
C[C@@]1(Cc2ccccc2)CCCN1CC(=O)NNC(=O)C1CC1	767936048	OPERYZTXGHESLT-SFHVURJKSA-N	315.417	1.641	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2ccc(F)cn2)n1	764375357	AVFLLPKWSXIWFO-UHFFFAOYSA-N	306.301	1.154	50	20	DDGD	
C[C@@H](Cn1cccn1)NC(=O)NNc1ncnc2ccsc12	765674920	DSSNHZPMBFWHEU-VIFPVBQESA-N	317.378	1.603	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H](OC)C(C)C)c1	874950587	UBEVINJFYSUAQI-ZDUSSCGKSA-N	305.403	1.657	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)Nc1cc(F)c(F)c(F)c1	878789790	DSKAPWGIBLDZDR-UHFFFAOYSA-N	317.267	1.683	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)C2CCOCC2)c(N(C)C)n1	879003367	YUEPWWCTYVVREA-UHFFFAOYSA-N	321.381	1.035	50	20	DDGD	
O=C(NNc1ccc(F)cc1)N[C@H]1CCO[C@@]2(CCOC2)C1	771442978	NVTGMXUVXBHKCO-ZFWWWQNUSA-N	309.341	1.790	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc2c(c1)CCCC(=O)N2	878607595	YWAWNZLIHMJNKE-UHFFFAOYSA-N	306.322	1.696	50	20	DDGD	
O=C(/C=C/[C@@H]1CCCNC1)NNc1nc(-c2ccccc2)no1	876644780	IAGJRONNYSYDCN-BCPZQOPPSA-N	313.361	1.736	50	20	DDGD	
O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1O)NC1CCCCC1	771867113	GSKWUBZSEJRCKK-UHFFFAOYSA-N	322.321	1.577	50	20	DDGD	
Cc1cc(=NNC(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)cc[nH]1	875073620	MRMPNPODKAEAEM-KBPBESRZSA-N	319.453	1.806	50	20	DDGD	
Cc1ccc([C@@H](C)NCC(=O)NNC(=O)C2CC2)cc1[N+](=O)[O-]	775550052	UQGQVPZHCHDLPT-SNVBAGLBSA-N	320.349	1.111	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)COC[C@H]2CCCO2)c1	873775946	VDUYNRNVQVONHS-CYBMUJFWSA-N	323.418	1.508	50	20	DDGD	
C[C@@H](CBr)COC(=O)CNC(=O)c1ccccc1	770312215	FBPORYJVBPYEED-JTQLQIEISA-N	314.179	1.991	50	20	DDGD	
Cc1ncncc1C(=O)NNc1nnc(-c2ccccn2)s1	1116736512	ULLUQVRLYLKAHJ-UHFFFAOYSA-N	313.346	1.455	50	20	DDGD	
CC(C)CO[C@H](C)C(=O)NNc1cccc(S(C)(=O)=O)c1	776534113	CQHSHXNSPKUUGC-LLVKDONJSA-N	314.407	1.594	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1	775191177	DVTYYABTUXEQOZ-NXEZZACHSA-N	308.338	1.191	50	20	DDGD	
COCCn1cc(C(=O)NNc2c(C)cccc2F)ccc1=O	771702157	UEWHSSUXZQBIBQ-UHFFFAOYSA-N	319.336	1.699	50	20	DDGD	
COC[C@H](OC)C(=O)NNC(=S)Nc1ccc(C)c(C)c1	873762246	PCQULTQTOYYDDR-LBPRGKRZSA-N	311.407	1.282	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1sccc1CN(C)C	1116246808	SUQIZLGOXJIBLW-UHFFFAOYSA-N	300.453	1.327	50	20	DDGD	
Cc1conc1NC(=O)NNC(=O)c1cccc(N(C)C)c1	1116570238	PEJHOXVNTHXVSU-UHFFFAOYSA-N	303.322	1.516	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccc3cc[nH]c3n2)c1	779513810	XNCQUNNBFQVMGA-UHFFFAOYSA-N	305.297	1.509	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2nccs2)cc1	770256894	BOXPXHIOFBNNMX-UHFFFAOYSA-N	305.359	1.546	50	20	DDGD	
CC[C@H](Cc1ccccc1)NC(=O)NNC(=O)c1cccnn1	883316277	RJVRXMDBBMJYOH-CYBMUJFWSA-N	313.361	1.442	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)C1CCOCC1)C1=CCCC1	883685480	IJKGCKHMSCFOMJ-UHFFFAOYSA-N	309.410	1.880	50	20	DDGD	
CN(CC1CC1)C[C@H]1CCN(S(=O)(=O)CCCCl)C1	881961111	ZXYSFYQHXSQKBG-CYBMUJFWSA-N	308.875	1.609	50	20	DDGD	
Cc1nc(CNC(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)n[nH]1	889704315	KZSKWVJLADXZOF-YGOYTEALSA-N	313.199	1.683	50	20	DDGD	
COc1ccccc1[C@@H](C)CC(=O)NNC(=O)C1CCOCC1	883062727	OZMFSXLVIGNMDP-LBPRGKRZSA-N	320.389	1.763	50	20	DDGD	
N#Cc1cccc(NNC(=O)N[C@@H]2CCCC23OCCO3)c1	889508994	QWXZDYJDQIQOKM-CYBMUJFWSA-N	302.334	1.480	50	20	DDGD	
CC(C)c1cccc(NC(=O)C(=O)NNc2ncc(F)cn2)c1	784949441	LAXMRRJKZCSXLI-UHFFFAOYSA-N	317.324	1.821	50	20	DDGD	
COCC(=O)NN=C1CCCCC[C@@H]1NC(=O)OC(C)(C)C	783854501	UPKUSYUDPIGRTE-NSHDSACASA-N	313.398	1.962	50	20	DDGD	
COCCOc1ccccc1C(=O)NNc1ccc(OC)cn1	781519985	WVCRIDQPSUTZEE-UHFFFAOYSA-N	317.345	1.872	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@H](F)C(C)C)cn1	784154350	RVXXDBKRHOAZNK-SNVBAGLBSA-N	300.359	1.402	50	20	DDGD	
Cc1nc(NC(=O)C(=O)NN(C)c2ccccc2)sc1C	789751325	WJNVVZDVYGNIDL-UHFFFAOYSA-N	304.375	1.866	50	20	DDGD	
C[C@](O)(CC(=O)NNC(=O)Cc1cccnc1)c1ccccc1	780930315	MSKFGFFLBWVKBG-KRWDZBQOSA-N	313.357	1.069	50	20	DDGD	
COc1ncc(C(C)=NNC(=O)c2cc(C)[nH]n2)cc1Cl	789036577	DVQNEZATVXNXGV-UHFFFAOYSA-N	307.741	1.929	50	20	DDGD	
O=C(NNC(=O)c1c[nH]nc1C1CC1)c1ccc(Cl)nc1	789736651	HEHWQJHPANIWFJ-UHFFFAOYSA-N	305.725	1.410	50	20	DDGD	
CCc1csc(NC(=O)C(=O)NNc2cc(C)nc(C)n2)n1	789748705	XDBGFTNHYWSYBC-UHFFFAOYSA-N	320.378	1.194	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(-c2cnn(C)c2)ccc1F	782552179	LXXKGVYVIXIWMN-UHFFFAOYSA-N	319.340	1.580	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)c2coc(C)c2)c1	781381810	YGCIEEWWSNTIDF-UHFFFAOYSA-N	316.313	1.514	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)NC[C@H]1CCC=CO1	780735661	UCJQLCVGPRFYPA-LLVKDONJSA-N	323.324	1.228	50	20	DDGD	
O=C(Cn1nnc(-c2ccccc2)n1)NN=C[C@@H]1CCSC1	782114720	RXMDNUPFWREDSG-NSHDSACASA-N	316.390	1.195	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNc1ccc(C#N)cn1	899663392	DTBLHBDECHOYMR-LBPRGKRZSA-N	301.350	1.187	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CCOC1)c1cc(C(=O)O)ccc1F	792650868	PAEKPUZICMPNQW-JTQLQIEISA-N	308.309	1.791	50	20	DDGD	
C[C@H]1COCCC1=NNC(=O)c1nn(C)c(=O)c2ccccc12	794470506	INEDWCACORQPSU-JTQLQIEISA-N	314.345	1.076	50	20	DDGD	
COc1cncc(C(=O)NNc2ccc(OC(F)F)cc2)n1	790803874	NHRKPCSEFPPGJA-UHFFFAOYSA-N	310.260	1.844	50	20	DDGD	
C=C(CBr)CN(C)CCCc1[nH]nc(N)c1C#N	791483519	OCIYNMHARFCHSU-UHFFFAOYSA-N	312.215	1.679	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cc(C=O)[nH]c1C	792797521	FIYAOFWDZQQXTO-UHFFFAOYSA-N	315.329	1.148	50	20	DDGD	
C=C(CBr)COC(=O)/C=C/c1cnc(OC)nc1	795594959	OMVCTRDDFJOJOH-ONEGZZNKSA-N	313.151	1.993	50	20	DDGD	
O=C(CCNc1ccccc1)NNC(=O)c1ccc(Cl)nc1	1317996877	NNEMGADHKYZYBT-UHFFFAOYSA-N	318.764	1.998	50	20	DDGD	
Cc1noc(Cl)c1CC(=O)NNC(=O)NC1CCCCC1	1318278123	GTBYPRJYOSHQTQ-UHFFFAOYSA-N	314.773	1.842	50	20	DDGD	
CCC(C)(C)NC(=S)NNC(=O)c1n[nH]c2c1CCCC2	1321366115	GMHBJGUERPVENF-UHFFFAOYSA-N	309.439	1.586	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H]1COCC[C@@H]1c1ccccc1	1325298603	WSMBQQUSJCCRPI-ZIAGYGMSSA-N	321.446	1.710	50	20	DDGD	
COc1cc(C(=O)NNc2nncc(N)c2Cl)ccc1O	1321688828	FGMZBMKBLVOTHR-UHFFFAOYSA-N	309.713	1.183	50	20	DDGD	
CCNC(=O)CCC(=O)NNc1cncc(Br)c1	1323066763	JIOGVTUCQBZHNN-UHFFFAOYSA-N	315.171	1.204	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2ccccc2OC)o1	1322727897	UYFBYOSDWYYDAB-UHFFFAOYSA-N	318.285	1.150	50	20	DDGD	
COc1cccc(C[C@@H](O)C(=O)NNc2cccc(F)c2)c1	1326117050	MRJBATLDBYZTLN-OAHLLOKOSA-N	304.321	1.881	50	20	DDGD	
CNC[C@@H](C)CNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	1328842731	VQBQQUMPLJKZKT-MPPDQPJWSA-N	303.244	1.912	50	20	DDGD	
Cc1noc(C(F)(F)F)c1C(=O)NNc1ncc(F)cn1	1336052299	VWCFXNCJWZAUBO-UHFFFAOYSA-N	305.191	1.688	50	20	DDGD	
COC1(OC)CC(CNC(=O)[C@]2(C)C[C@@H]2Br)C1	1336834418	FYSVAEJHQUGACM-GXSJLCMTSA-N	306.200	1.675	50	20	DDGD	
CN(CCC(F)(F)F)C(=O)NNC(=O)c1cccc(F)n1	1333621349	BHPIJEYZYYVFLX-UHFFFAOYSA-N	308.235	1.459	50	20	DDGD	
COCCN(C)NC(=O)Nc1cnc(C)c(Br)c1	1347847748	NRWYLSLRCXENIN-UHFFFAOYSA-N	317.187	1.767	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccsc1[N+](=O)[O-]	1345128829	GCXPXACRTRLHDM-ZCFIWIBFSA-N	307.353	1.012	50	20	DDGD	
CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)c2cccc(CCl)c2)O1	1358101197	NYEZJIHXYBUKCL-ZIAGYGMSSA-N	324.808	1.791	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)CN1CCC(CO)CC1	1514632261	LJJFPGYZKXRKLC-UHFFFAOYSA-N	311.813	1.796	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2cc(C(=O)O)c(C)o2)cs1	1600696095	ULQRSTPQMNVLDE-UHFFFAOYSA-N	307.331	1.744	50	20	DDGD	
Cc1cc(NC(=O)NNc2ncncc2F)cc(C(=O)O)c1	1600272045	YVLWWVCLUJUJBC-UHFFFAOYSA-N	305.269	1.771	50	20	DDGD	
CO[C@H]1CCCC[C@@H]1C(=O)NNc1ccc(CC(=O)O)cc1	1606748963	XECWLELHMLCMSV-KBPBESRZSA-N	306.362	1.962	50	20	DDGD	
Cc1cc(=NNC(=O)Nc2cccc(-c3nn[nH]n3)c2C)cc[nH]1	1605740550	XUBLAAGWPWMBKJ-UHFFFAOYSA-N	324.348	1.449	50	20	DDGD	
C=C(CBr)CN1CC[C@@H](n2cc(C(=O)O)nn2)C1	1609257925	SQYKPOJDAONHCR-SECBINFHSA-N	315.171	1.174	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2c(C)[nH]c(C(=O)O)c2C)c1	1600647701	KGMHVKFYSITMOA-UHFFFAOYSA-N	321.358	1.774	50	20	DDGD	
Cc1csc(NC(=O)NNC(=O)C(C)(C)C)c1-c1nn[nH]n1	1606003890	RIXBOLQSHZHYBQ-UHFFFAOYSA-N	323.382	1.435	50	20	DDGD	
COc1cc(CNS(=O)(=O)CCCCl)ccc1C(=O)O	1607163970	ASERGNSCOXGDEE-UHFFFAOYSA-N	321.782	1.442	50	20	DDGD	
O=C(NNc1cccc(F)c1)c1ccc(-c2nn[nH]n2)c(O)c1	1609559612	TYPZTMZNGNWBEG-UHFFFAOYSA-N	314.280	1.468	50	20	DDGD	
Cc1ccc(C(=O)NNc2ncnc3[nH]cnc23)cc1C(=O)O	1600342181	LWIXEOCJCOEYIM-UHFFFAOYSA-N	312.289	1.116	50	20	DDGD	
CC(=NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1ncc(C(=O)O)s1	1602987205	JAHGNAGGRFZVPO-IWSPIJDZSA-N	309.347	1.249	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1ccc(C)cc1	1549314699	JWFNMTXWIWUWPJ-HOTGVXAUSA-N	301.390	1.698	50	20	DDGD	
COC12CCC(C(=O)NNc3cccc(F)n3)(CC1)C(=O)C2	1548703140	IRIXLUUJYZQMGM-UHFFFAOYSA-N	307.325	1.582	50	20	DDGD	
CO[C@@H]1CCCC(=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)CC1	1550191877	IWMKWDPFILABBC-RBSFLKMASA-N	309.410	1.301	50	20	DDGD	
CCn1nccc1[C@@H]1OCCC[C@@H]1C=NNC(=O)c1cn[nH]c1	1552672102	FGPSITZBHIITQH-BXUZGUMPSA-N	316.365	1.510	50	20	DDGD	
CS(=O)(=O)c1ccc(NNC(=O)/C=C\[C@H]2CCCNC2)cc1	1579351286	HFMRZBSDMUCECI-TWLAMCEISA-N	323.418	1.089	50	20	DDGD	
C=CC1(CC(=O)NNc2ccc(C(=O)OCC)c(C)c2)CNC1	1574880324	SDZBTZRKUVEDHL-UHFFFAOYSA-N	317.389	1.781	50	20	DDGD	
N[C@H]1CCCCCC[C@@H]1C(=O)NNC(=O)c1cccc(F)n1	1580183110	LUVGDSAQAXKIFA-QWRGUYRKSA-N	308.357	1.279	50	20	DDGD	
CC1(C)C(C)(C)C1(C(=O)O)C(=O)NNc1ncc(F)cc1F	1589204948	BMEZEEFOQXLAEW-UHFFFAOYSA-N	313.304	1.940	50	20	DDGD	
N[C@H]1CC=C(C(=O)NNC(=O)Cc2cccc3ccccc23)C1	1580168161	CAZFPNDUUYLXFZ-HNNXBMFYSA-N	309.369	1.577	50	20	DDGD	
O=C(O)CCCCC(=O)NNC(=O)Cc1ccc(Cl)cc1	1595032721	NSWSGAMAWIAJBW-UHFFFAOYSA-N	312.753	1.675	50	20	DDGD	
O=C(NNc1nc2cccnc2s1)N[C@H]1CC[C@@H](C(=O)O)C1	1594782023	ODTNQEFTUFAXPH-SFYZADRCSA-N	321.362	1.571	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)Nc1cc(C(=O)O)ccn1	1594781824	IYXOPJOPOAOMEZ-UHFFFAOYSA-N	309.232	1.602	50	20	DDGD	
CC[C@H]1C[C@@H](CC(=O)NNc2ccc(C(=O)O)cn2)CCO1	1595413510	NSULNMKDILOGOV-JQWIXIFHSA-N	307.350	1.818	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cc(-c2nn[nH]n2)c(F)cc1C	1590797182	KTPRRQGTQISJDS-VQHVLOKHSA-N	316.296	1.697	50	20	DDGD	
Cc1cc(NC(=O)NN=c2cc[nH]cc2)cc(-c2nn[nH]n2)c1	1592028104	NWLORNWWGAPDCT-UHFFFAOYSA-N	310.321	1.141	50	20	DDGD	
COc1cc(C=NNC(C)=O)cc(Cl)c1O[C@H](C)C(=O)O	1776015240	SGJXHGWORYUBQK-SSDOTTSWSA-N	314.725	1.671	50	20	DDGD	
CC(=NNC(=O)c1cccnn1)c1cc(C(=O)O)ccc1O	1776103689	WAHPCGNYNNTERV-UHFFFAOYSA-N	300.274	1.034	50	20	DDGD	
COc1ccc(C=NNC(=O)Nc2ccc(C(=O)O)cc2)nn1	1776046677	BIAKSOXEEDLIPI-UHFFFAOYSA-N	315.289	1.339	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)O)C2	1793684523	FFQKJDXRAWUXIH-WJTVCTBASA-N	316.829	1.413	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCOc2ccc(Cl)cc2)[nH]n1	152978124	CWKQJOVPNSLBAD-UHFFFAOYSA-N	322.752	1.602	50	20	DDGD	
CC[C@@H](C)Oc1ccc(C(=O)NNC(=O)c2cc(C)n[nH]2)cc1	153156864	CCJXUPCREVWDOY-LLVKDONJSA-N	316.361	1.970	50	20	DDGD	
CCN(CC(=O)NNc1ncccc1[N+](=O)[O-])c1ccccc1	153600069	WVAAYYSPLLGPTA-UHFFFAOYSA-N	315.333	1.959	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(C)(C)NC(=O)Nc1ccccc1	274584903	ZJINRTRKSAEHLO-UHFFFAOYSA-N	321.381	1.279	50	20	DDGD	
O=C(O)CCC(=O)NNC(=O)c1ccccc1Br	3158944	RITBYSPTPXKSPY-UHFFFAOYSA-N	315.123	1.075	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1ccc(Cl)nc1	6983449	LJPYHYNVUSLVNV-UHFFFAOYSA-N	323.711	1.714	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H](C(C)C)N(C)C)c1	106425646	SUKJZESWDLXXHG-INIZCTEOSA-N	321.421	1.416	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CCc2ccccc2O)n(C)n1	106251985	YMYUYBFNIJVEJJ-UHFFFAOYSA-N	317.349	1.220	50	20	DDGD	
O=C(CCc1cc(F)ccc1F)NNC(=O)Cc1cc[nH]n1	106416818	KYRWKXLYZMOXSD-UHFFFAOYSA-N	308.288	1.011	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NNC(=O)OC)c2ccccc12	57115842	PFWPNAAQLYOBSF-UHFFFAOYSA-N	324.358	1.788	50	20	DDGD	
COC(=O)[C@H](NS(=O)(=O)CCCCl)c1ccccc1	50513779	OGHQAXTWUGNJIQ-LLVKDONJSA-N	305.783	1.449	50	20	DDGD	
O=C(CCc1cscn1)NNC(=O)CCc1ccccc1O	171564726	CNNIMKICAMKPCD-UHFFFAOYSA-N	319.386	1.562	50	20	DDGD	
Cn1c(NNC(=O)c2ccnc(F)c2)nc2ccccc2c1=O	113187828	DZAMATXFXFCXHZ-UHFFFAOYSA-N	313.292	1.225	50	20	DDGD	
CN1N=C(C(=O)NNc2ccccc2C(F)(F)F)CCC1=O	53161111	UOXBIYBYVUTOSM-UHFFFAOYSA-N	314.267	1.757	50	20	DDGD	
C[C@@H](SCc1ccccc1)C(=O)NNC(=O)[C@@H]1CCCO1	58248512	RIYYRYZSHYFZSW-YPMHNXCESA-N	308.403	1.635	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)Cc2c(C)nn(C)c2C)ncn1	173609226	HVEUFKDVHOLSDZ-SECBINFHSA-N	302.382	1.457	50	20	DDGD	
O=C(NNc1c(F)cccc1F)c1cc([N+](=O)[O-])cnc1O	118510200	REDPGCSENVMOOX-UHFFFAOYSA-N	310.216	1.731	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)Nc2cc(F)cc(F)c2)cc1	119724547	PFLAEHLMFBQYMC-UHFFFAOYSA-N	316.267	1.918	50	20	DDGD	
CCCCOCC(=O)NNC(=O)c1ccc2ccccc2n1	118302941	IUNVHRWBGMQIJP-UHFFFAOYSA-N	301.346	1.813	50	20	DDGD	
O=C(NCCN1CCc2sccc2C1)NNc1cccnn1	172493533	RFETVZPZQXLWRG-UHFFFAOYSA-N	318.406	1.223	50	20	DDGD	
CSc1nc(C2CC2)cc(C(=O)NNC(=O)C(C)C)c1C#N	27081787	BHBWWKJTXXYEPV-UHFFFAOYSA-N	318.402	1.970	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CC(=O)NNc1cccc([N+](=O)[O-])c1	178863161	BDVOBNYGKXSNQN-UHFFFAOYSA-N	320.265	1.151	50	20	DDGD	
COc1cccc(COCC(=O)NNC(=O)OC(C)(C)C)c1	60491440	YNPUKNWBFDCBEE-UHFFFAOYSA-N	310.350	1.768	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)CCOc2ccccc2)cn1	61475315	LQZJVOHSSBJQGY-UHFFFAOYSA-N	313.357	1.549	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](CCO)c1ccc(OC)cc1	123897223	VOBSQJLMCDDGHE-BMOGTNHUSA-N	304.346	1.679	50	20	DDGD	
O=C(CCSCc1ccccn1)NNC(=O)c1ccc[nH]1	120290714	FJBSBUGRSSRHAG-UHFFFAOYSA-N	304.375	1.494	50	20	DDGD	
N[C@@H]1CCCN(S(=O)(=O)c2ccc(CCCCl)cc2)C1	122340871	MGDBLJKJZNRTSG-CYBMUJFWSA-N	316.854	1.970	50	20	DDGD	
COCCCCC(=O)NNC(=O)c1cc(-c2ccccc2)on1	122226057	BVHSWQVIEBUWJS-UHFFFAOYSA-N	317.345	1.919	50	20	DDGD	
CC[C@H]1C[C@@H](C(=O)NNC(=O)COc2cccc(C)c2)CCO1	183517221	CZNSKRLBAKTYIH-KBPBESRZSA-N	320.389	1.726	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cc(C(=O)NC)ccc1C	183588320	QKOAORGVPLNJTB-VIFPVBQESA-N	306.366	1.553	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCCCC(=O)NC1CC1	182247947	GZZKCGZBPBQBTH-JLHYYAGUSA-N	315.348	1.908	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C1CCN(c2cnccn2)CC1	182416023	OMKBVBLBSZIXAF-UHFFFAOYSA-N	316.340	1.370	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NNc1ccccn1	181235080	APPRVYSEUUOOJX-NSHDSACASA-N	306.366	1.924	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)N[C@@H]2C=CCCC2)c1	181695580	FHLWULVYJVCYQU-LLVKDONJSA-N	309.391	1.825	50	20	DDGD	
C#C[C@H](C)NC(=O)NNC(=O)c1cc2c(s1)CCCCC2	186001637	FCSFBMNFYZDAPN-JTQLQIEISA-N	305.403	1.983	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2scnc2C)c1	46572841	DSSGCSXKJARYTQ-UHFFFAOYSA-N	319.386	1.908	50	20	DDGD	
O=C(Cc1c[nH]c2ncccc12)NNC(=S)NCC1CCC1	133362520	FWLQIKXETMPWPQ-UHFFFAOYSA-N	317.418	1.401	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C(C)(Cl)Cl)nc1C	182724874	NHBMBFWADSSBRS-UHFFFAOYSA-N	321.164	1.599	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)o1	84291892	JBKCNSJLSVZHKL-OAHLLOKOSA-N	314.341	1.970	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CNC(=O)CC2CCCCC2)n1	195338001	ATVFJADFLPNMJD-UHFFFAOYSA-N	319.409	1.623	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cc2cc(Cl)ccc2[nH]1	135942511	RFIOCACISBJDMA-UHFFFAOYSA-N	322.752	1.508	50	20	DDGD	
CN1CCN(CCNC(=O)/C(C#N)=C\c2ccc(F)cc2)CC1	193952569	OIFVDUWVLVCMPP-QINSGFPZSA-N	316.380	1.096	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)C1CCN(C2CC2)CC1	194790677	HNITZFZCAPOTHV-UHFFFAOYSA-N	304.350	1.912	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCC[C@H](N(C)C)C2)o1	84455750	IWSVDJFFGPTGFQ-RYUDHWBXSA-N	308.382	1.405	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccc(Cl)cc1OC	192849826	GKNKOUFOPCHUPQ-ZYHUDNBSSA-N	312.753	1.535	50	20	DDGD	
CCC[C@H](C(=O)NNC(=O)CNC(=O)c1ccco1)C(C)C	134570405	WMHQDFGHFQYEHL-NSHDSACASA-N	309.366	1.229	50	20	DDGD	
CCCC[C@@H](NNC(=O)c1cccc(N(C)C)c1)C(=O)OC	135141464	BJALRRDDCIJEDT-CQSZACIVSA-N	307.394	1.719	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(-n2cccn2)cc1	132187333	KBYJBNPDKZUDEY-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
C[C@@H]1CCC[C@H](NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)[C@@H]1C	43041936	WSWFCOSQEXSOBJ-NRWUCQMLSA-N	317.455	1.192	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(COc2ccc(F)cc2)o1	192089341	ICSHQSKZTHWICX-UHFFFAOYSA-N	308.265	1.999	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NC2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1	246464386	AHLBIQFXLDXTDC-IGQOVBAYSA-N	310.357	1.547	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)cn1	246674877	IGYSVYHNJUJQHL-QKGWFMCXSA-N	317.393	1.189	50	20	DDGD	
O=C(NN=Cc1ccccc1[N+](=O)[O-])c1ccc(O)c(O)c1	252461729	NNXZEDONDKLSFM-UHFFFAOYSA-N	301.258	1.770	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNC(=O)COc1ccccc1F	264278698	NILWXJDIXQAUAT-CYBMUJFWSA-N	323.368	1.226	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NOCC(C)C	269737426	YXEBPSWRMWLUNF-UHFFFAOYSA-N	309.366	1.546	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCCNC(=O)OC)cc1	264486386	BXJXVEKCAGMCDO-UHFFFAOYSA-N	307.350	1.146	50	20	DDGD	
COc1ccc([C@@H](C)CC(=O)NNC(=O)N2CCOCC2)cc1	267331670	HRRGUKAOARAVGP-LBPRGKRZSA-N	321.377	1.262	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@@H]1CCCc2sccc21	366561128	ZFJYRYXJMJLJRH-LLVKDONJSA-N	309.391	1.241	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)COC(C)(C)C	272069902	BYZVVAPRROWYQS-UHFFFAOYSA-N	324.377	1.427	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(C)c(OCC2CCOCC2)c1	274153309	DZFKNGUCAPAINQ-UHFFFAOYSA-N	321.377	1.973	50	20	DDGD	
CCS(=O)(=O)c1cccc(CC(=O)N2CC=C(C#N)CC2)c1	274082685	RIJWBRLAKUPCLF-UHFFFAOYSA-N	318.398	1.705	50	20	DDGD	
COc1nccnc1NNC(=O)CCc1ccc(N(C)C)cc1	274026444	CNVZPKZIYIUGSH-UHFFFAOYSA-N	315.377	1.627	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2csnc2C)nc1C	272870020	WKUQMJAYRWFXAB-UHFFFAOYSA-N	321.362	1.484	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1nc(C)n(-c2ccc(F)cc2)n1	272701199	ULWLTIUWEQPEMI-UHFFFAOYSA-N	320.328	1.021	50	20	DDGD	
COc1cc(/C=C/C(=O)NN(C)C(N)=O)ccc1OCC(C)C	272250657	ZDNJRQDJAVYLQM-SOFGYWHQSA-N	321.377	1.785	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)N[C@H]2CCSC2)c1	271897562	HXPRGODPKKXWDT-JTQLQIEISA-N	315.420	1.222	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@H]1CCO[C@@H](C)C1	271307607	RWWJCAHVIVWQEY-RYUDHWBXSA-N	306.366	1.898	50	20	DDGD	
O=C(NNc1ncccc1F)c1ccnc(O[C@@H]2CCOC2)c1	286070609	SOYJQOQPIDHWIZ-LLVKDONJSA-N	318.308	1.540	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)c1c(Cl)cccc1Cl)C1CC1	286015502	FLDBUPVUYRGLCE-CYBMUJFWSA-N	317.172	1.915	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@@H](F)C(F)(F)F	289465440	WIIYELNTANWQCL-SNVBAGLBSA-N	323.246	1.155	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Nc1ccc(C)cc1	283674954	FIALABGHIJZTBG-UHFFFAOYSA-N	309.366	1.937	50	20	DDGD	
COCCCOc1cccc(C(=O)NNC(=O)[C@@H]2CCCO2)c1	292232134	VWTBPFRXVVTAFI-AWEZNQCLSA-N	322.361	1.042	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc2c(c1)OCCCO2	295259791	AZSOAUJVQULPSD-ZDUSSCGKSA-N	320.345	1.178	50	20	DDGD	
CC(C)Cc1cc(C(=O)NNC(=O)[C@H]2CCCCO2)cc(O)n1	295358804	JCYDWDLNYUGCFF-CYBMUJFWSA-N	321.377	1.316	50	20	DDGD	
CC1CCN(C(=O)C(=O)NNc2nccc3sccc23)CC1	802543244	OUMUJMGAZHUQGU-UHFFFAOYSA-N	318.402	1.998	50	20	DDGD	
CSc1cccc(F)c1C(=O)NNC(=O)N=c1cc[nH]cc1	802026764	WMYSHQOFXQHINN-UHFFFAOYSA-N	320.349	1.831	50	20	DDGD	
CO[C@H](CNC(=O)NNc1cccnn1)Cc1ccccc1	296545160	BHRKTXZTOOPONQ-ZDUSSCGKSA-N	301.350	1.360	50	20	DDGD	
COC(=O)c1cc(C(=O)NNC(=O)C(C)(C)C)cc([N+](=O)[O-])c1	298791049	DRELDWMGFMYPNW-UHFFFAOYSA-N	323.305	1.189	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)C2(C#N)CCC2)cc1	291293604	RYGLEKAWSRXQSV-UHFFFAOYSA-N	322.390	1.074	50	20	DDGD	
CCCN[C@H](C)C(=O)NNC(=O)c1ccc2ccccc2n1	294631511	AKNUSKLHRYQGGR-LLVKDONJSA-N	300.362	1.384	50	20	DDGD	
O=C(NN=C1CCC[C@H]1CCCF)N[C@H]1CCS(=O)(=O)C1	800810941	AGUNMNDAHXGGQC-QWRGUYRKSA-N	319.402	1.379	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N2CC[C@@H](n3cccn3)C2)s1	291927695	SRSFKENMOOBEMF-LLVKDONJSA-N	319.390	1.554	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CNC(=O)NCc1ccco1	808246847	MWPQHVCTWHWLQZ-UHFFFAOYSA-N	308.165	1.341	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)Nc1cccc2nonc12	296644856	DQNSQEOYEZPSIO-UHFFFAOYSA-N	303.322	1.956	50	20	DDGD	
CCn1nc(C(=O)NN=C[C@@H]2CCOC2)c2ccccc2c1=O	812423916	ZPVVGONTSCNEMQ-NSHDSACASA-N	314.345	1.169	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc2c(c1)SCC(=O)N2	813424015	RNPVQDXFLCJRKE-UHFFFAOYSA-N	322.390	1.475	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1cncnc1	813047574	ANNWXIAZBLEINT-UHFFFAOYSA-N	313.361	1.990	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)[C@@H](C)Oc1ccc(F)cc1	811634354	MBHOXMXTHHJEAF-YPMHNXCESA-N	321.352	1.754	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNc1ncncc1F	817080386	MDFJNCORJXJESW-UHFFFAOYSA-N	306.297	1.537	50	20	DDGD	
Cn1c(NNC(=O)c2cccn3c(O)nnc23)nc2ccccc21	816579848	HOYMRUSLZSGVRQ-UHFFFAOYSA-N	323.316	1.079	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2CCCN2C2CC2)ccc1C	816687166	PXRRWPLCCLVDRH-HNNXBMFYSA-N	317.389	1.852	50	20	DDGD	
Cn1nncc1NNC(=O)c1cn(CCCC#N)c2ccccc12	816772353	WJYBEGVLYBQOAE-UHFFFAOYSA-N	323.360	1.830	50	20	DDGD	
COC(=O)Cc1occc1C(=O)NNc1cccc([N+](=O)[O-])c1	810679296	MUDWILMUMXULQW-UHFFFAOYSA-N	319.273	1.660	50	20	DDGD	
C[C@H]1CC(=NNC(=O)COc2ccccc2O)CC[C@H]1C(=O)O	814953976	XVSXOQKXIURIIL-CMPLNLGQSA-N	320.345	1.764	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NCCN2CCOC[C@H]2C)c(C)c1	729614704	QQRLCTHPPRRHMQ-OAHLLOKOSA-N	320.437	1.959	50	20	DDGD	
O=C(CNc1ccccc1Cl)NNC(=O)Cc1cccnc1	728893617	ZVAQEEGWOOCQNY-UHFFFAOYSA-N	318.764	1.537	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cn(C)c3ccccc23)CO1	825552153	SFXVKLBEUHXSOC-WDEREUQCSA-N	316.361	1.300	50	20	DDGD	
Cc1noc([C@@H](C)NC(=O)NNC(=O)Cc2ccc(F)cc2)n1	726278958	KMNULCYCKFBOQP-MRVPVSSYSA-N	321.312	1.151	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc2scnc2c1	820936052	FWJJOZHSPQCWEM-NSHDSACASA-N	305.359	1.626	50	20	DDGD	
COC(=O)N1CCC(NC(=O)NCCSSC)CC1	495600719	GQILPMYUUWLBSZ-UHFFFAOYSA-N	307.441	1.528	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NN(C)C(=O)OC(C)(C)C	497165551	YEWUWJFXVKPORE-VIFPVBQESA-N	302.375	1.112	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1F	825638919	IRAHCZBIXHVMNI-JQWIXIFHSA-N	309.341	1.390	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1	491846631	JRMJGGRTORXNGP-UHFFFAOYSA-N	321.377	1.740	50	20	DDGD	
CCC1(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)CC1	493176681	IKTQRRDHODBCDH-UHFFFAOYSA-N	314.386	1.032	50	20	DDGD	
O=C(NNC(=O)c1conc1C(F)(F)F)NC1CCCC1	824349113	IIMHJZKZAUPDTC-UHFFFAOYSA-N	306.244	1.580	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1cnnc2ccccc12	493831821	MHYFHPZAJMCLRJ-UHFFFAOYSA-N	317.349	1.599	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H](C)N(C(=O)OC(C)(C)C)C1CC1	496352516	ZTQPOZOLJOOXCW-SECBINFHSA-N	314.386	1.125	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)N(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	490910063	PSQLDQIIFOAZQS-LFTLCWSBSA-N	322.386	1.191	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)cc1	822196096	WANCUILFXFAGQF-KCQAQPDRSA-N	313.357	1.521	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CC[S@](=O)C2)cc1	490726777	VBXYVZIPYNHTCC-UKVLDVPZSA-N	318.398	1.629	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1C[C@@H](c2ccccc2)OC1=O	496512067	KSVJFEDBCKKSHU-RYUDHWBXSA-N	320.345	1.847	50	20	DDGD	
CC(C)OC(=O)[C@H](C)CNC(=O)[C@]1(C)C[C@H]1Br	821912423	ZHMQHSCEICBGAN-KBVBSXBZSA-N	306.200	1.864	50	20	DDGD	
CSC[C@@H]1CCCN(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)C1	827269435	XRJPPDLFPFJMKG-TUAOUCFPSA-N	315.439	1.227	50	20	DDGD	
CCn1cc(CNC(=O)NNc2ccc(Cl)c(F)c2)nn1	821732527	QDDGGDRIHOWBEK-UHFFFAOYSA-N	312.736	1.917	50	20	DDGD	
O=C(Nc1cccc2c1CN(C1CC1)C2)c1cccc(B(O)O)c1	584971423	RXBCAPOBPYSQSY-UHFFFAOYSA-N	322.173	1.097	50	20	DDGD	
Cc1ccc(OCCNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	825525487	FHLRTXBLGUQVAN-GXTWGEPZSA-N	321.377	1.129	50	20	DDGD	
CCc1nc[nH]c1C(=O)NNC(=O)COc1cc(C)ccc1C	905104605	VBCKZNCYMMGSFY-UHFFFAOYSA-N	316.361	1.429	50	20	DDGD	
CCCN(CC)C(=O)c1ccc(C(=O)NN(C)[C@@H](C)CO)cc1	823959908	RYJCFKVSPUCBGI-ZDUSSCGKSA-N	321.421	1.516	50	20	DDGD	
C[C@@H]1C[C@@H](C)CN(CCCCNCc2ccc(B(O)O)cc2)C1	585015536	DXSYVRGJADDVHO-HZPDHXFCSA-N	318.270	1.214	50	20	DDGD	
CCNC(=O)NNC(=O)CCc1ccc2ccccc2c1O	822782131	PFQCTIJPSKMAIH-UHFFFAOYSA-N	301.346	1.828	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(CN2CCCCC2)cc1	823928232	LPKCSZXQWSQXIW-CQSZACIVSA-N	305.422	1.630	50	20	DDGD	
CN(C)[C@@H](C(=O)N1CC[C@@H](B(O)O)C1)c1cccc(Cl)c1	585068493	BPQZOFBZDTXQJR-DGCLKSJQSA-N	310.590	1.018	50	20	DDGD	
CCCN1CCC[C@@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1	825327931	MTVVALLTZBBUIO-CYBMUJFWSA-N	315.381	1.184	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NNc2cnccn2)cc(C#N)n1C	491007148	FSQKNMPCWCASNC-XGICHPGQSA-N	307.317	1.045	50	20	DDGD	
CC(C)n1ncc(NC(=O)c2ccc(B(O)O)cc2)c1C1CC1	584973734	FZTDBGYLLSFYBD-UHFFFAOYSA-N	313.166	1.274	50	20	DDGD	
COc1ccc2c(c1)[C@H](C(=O)N1CC[C@H](B(O)O)C1)CCC2	585063894	JTQVZAMONAZVEE-GXTWGEPZSA-N	303.167	1.190	50	20	DDGD	
C#CCN1CCC(C(=O)NNc2nc3ccccc3n2C)CC1	491405855	LBIWRQTVKILGCA-UHFFFAOYSA-N	311.389	1.362	50	20	DDGD	
CC1(C)CC2(CCC2)CN1C(=O)c1cc(B(O)O)ccc1F	585005738	DTFOVRUVUVMETL-UHFFFAOYSA-N	305.158	1.300	50	20	DDGD	
CCOC(=O)NN=C[C@@H](CCOC)NC(=O)OC(C)(C)C	496795783	BUMXUDHGJLAZRN-SNVBAGLBSA-N	303.359	1.648	50	20	DDGD	
O=C(NNC(=O)[C@@]1(Cl)C[C@H]2CC[C@H]1O2)NC1CCCCC1	905104846	WQEPNSCNYNRTML-JTNHKYCSSA-N	315.801	1.578	50	20	DDGD	
C=CCOc1ccc(/C=C\C(=O)NNC(=O)NCC)cc1OC	491306534	SFBSKFAOGXAZCI-CLFYSBASSA-N	319.361	1.624	50	20	DDGD	
C[C@@H](CBr)COC(=O)/C(C#N)=C/c1cnn(C)c1	837972757	XOZHZCPAHCGKDH-OLXTUZCPSA-N	312.167	1.901	50	20	DDGD	
Cn1c(=O)oc2cc(NC(=O)NNC(=O)CC3CC3)c(F)cc21	839164498	VPPKZHXTEMDMJQ-UHFFFAOYSA-N	322.296	1.223	50	20	DDGD	
C[C@H](NC(=O)NNc1ccncn1)c1ccc(N(C)C)cc1	836406087	PYBCNKFNZABZRP-NSHDSACASA-N	300.366	1.930	50	20	DDGD	
O=C(O)NCCCC(=O)NNC(=O)c1cccc2cccnc12	739957357	RZOZPJYBZGZVLG-UHFFFAOYSA-N	316.317	1.044	50	20	DDGD	
CCCNC(=O)c1cccc(CNS(=O)(=O)CCl)c1	830018092	DRZSACWZTXRQNA-UHFFFAOYSA-N	304.799	1.442	50	20	DDGD	
OB(O)c1ccc(CN[C@@H](Cc2ccccc2)C2CC2)c(F)c1	585029400	REYLTAVEKVIIJV-SFHVURJKSA-N	313.181	1.616	50	20	DDGD	
O=C(c1cccc(OC(F)(F)F)c1)N1CC[C@H](B(O)O)C1	585067005	UAXBSVUEDJEOGB-VIFPVBQESA-N	303.045	1.274	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)[C@H](C)N1C(=O)CCC1=O	836933874	WWLBSMOFRBWLIV-VIFPVBQESA-N	309.753	1.629	50	20	DDGD	
CN1C(=O)CCC[C@H]1C(=O)NNc1ccc(OC(F)F)cc1	907094706	QPIADJWOKMHLQZ-NSHDSACASA-N	313.304	1.742	50	20	DDGD	
COCCN(C)NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1	837625532	OUGZWYDZDFIWEE-GFCCVEGCSA-N	315.414	1.289	50	20	DDGD	
Cc1oc(-c2ccccc2)nc1CC(=O)N1CC[C@H](B(O)O)C1	585069669	OTWSVUBHVGBPPD-ZDUSSCGKSA-N	314.150	1.268	50	20	DDGD	
CC(=O)c1ccc(Oc2ccc(C(=O)NCB(O)O)cc2)cc1	585063407	YSSABXWNQYDOGL-UHFFFAOYSA-N	313.118	1.423	50	20	DDGD	
CNC(=O)C1CCN(C(=O)[C@@]2(C)C[C@@H]2Br)CC1	905575312	XEXXGBJIJJFSBR-CABZTGNLSA-N	303.200	1.145	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2nn(C)cc2Cl)n1	836581839	SSWOHJUNZSWCEV-UHFFFAOYSA-N	309.761	1.307	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCO[C@@H](c2ccccc2)C1	732197452	YUAZVNUHQJBBTO-GXTWGEPZSA-N	305.378	1.006	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCC(C)(C)C(C)(C)O	836193916	YJZCTHMEYGALQZ-UHFFFAOYSA-N	307.394	1.736	50	20	DDGD	
CC(=NNC(=O)C(N)=O)c1ccc(Cl)c(Cl)c1Cl	916272421	SIEQZHPCACVEGV-UHFFFAOYSA-N	308.552	1.972	50	20	DDGD	
C[C@]1(NC(=O)c2ccc(B(O)O)cc2)CCCc2ccccc21	584972516	YYXBQXKSSFAQJU-SFHVURJKSA-N	309.174	1.348	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNC(=O)c2c[nH]c3ccccc23)C1	838749883	ZZWJBEQHJKLCBX-PHIMTYICSA-N	316.361	1.679	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](CO)[C@@H](C)O)c1C	839800473	JBGUCKVXKDNAPU-BWRWTWBJSA-N	319.405	1.280	50	20	DDGD	
O=S(=O)(c1ccc(CCl)cc1)N1CCc2ncncc2C1	919813267	FLJSKBJVNXMTCI-UHFFFAOYSA-N	323.805	1.962	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=Cc2ccncc2)c1	915052449	XUALFETYYMDZKM-UHFFFAOYSA-N	303.343	1.249	50	20	DDGD	
COc1cc(C2(C(=O)NN(C)C[C@H](C)O)CCC2)ccc1C	910165027	GCRHPYMOFNJUHU-ZDUSSCGKSA-N	306.406	1.769	50	20	DDGD	
CCc1c(C(=O)NN(C)C[C@@H](C)O)cnn1-c1ccccc1C	910158386	DOAQHBBJHOUIRE-CYBMUJFWSA-N	316.405	1.701	50	20	DDGD	
Cc1ncc(CO)c(C=NNC(=O)CNc2ccccc2)c1O	915917805	KIOQINUKPHVHPG-UHFFFAOYSA-N	314.345	1.150	50	20	DDGD	
COC[C@H](C)CNC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	743588787	JFSBLVVCUKEOTG-LLVKDONJSA-N	323.397	1.371	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1C[C@H](OCC)C1(CC)CC	749614714	HQNPNPFZFWGBGK-NEPJUHHUSA-N	315.414	1.337	50	20	DDGD	
COc1cc(C)sc1C(=O)NNc1ccnc(N(C)C)n1	740105147	ZIMJJOWYNMUIEF-UHFFFAOYSA-N	307.379	1.678	50	20	DDGD	
CC[C@@H]1C[C@@H](C(=O)NNc2cc(O)nc3ncccc23)CCO1	913990871	AMEVMYHHMOZMBW-WDEREUQCSA-N	316.361	1.984	50	20	DDGD	
CN(C)C(=O)CCCNC(=O)NNc1c(F)cc(F)cc1F	914361445	CAIAPSCAPSMYQN-UHFFFAOYSA-N	318.299	1.598	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)c2cccc(C#N)c2)[C@@H](C)[C@H]1C	842166136	INVOCFSKHVQHSL-AGIUHOORSA-N	314.389	1.296	50	20	DDGD	
Cc1ccoc1C=NNC(=O)c1csc(N2CCOCC2)n1	743427849	CKHPOKVOLPMHGM-UHFFFAOYSA-N	320.374	1.645	50	20	DDGD	
Cc1cccc(CCNC(=O)NNC(=O)CC(F)(F)F)c1	749190528	JUJPOKZYNOGMHB-UHFFFAOYSA-N	303.284	1.820	50	20	DDGD	
C[C@H]1CCCc2ncc(C(=O)NNC(=O)Cc3cccnc3)n21	844376548	DLEXAKQLNDLCRM-NSHDSACASA-N	313.361	1.179	50	20	DDGD	
COc1cccc(CCNC(=O)NNc2ccccn2)c1OC	918217356	HQOJQZNEMHVKTQ-UHFFFAOYSA-N	316.361	1.968	50	20	DDGD	
Cc1ccc2oc(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)cc2n1	843647013	LMLRJFWNXQZBNH-UWVGGRQHSA-N	303.318	1.322	50	20	DDGD	
O=C(NNC(=S)NCC1CC1)c1cnn(-c2ccccc2)c1	849258921	WMZUTMWCBRGNLG-UHFFFAOYSA-N	315.402	1.391	50	20	DDGD	
CCOC(=O)CC(=O)NNC(=O)Cc1cccc2ccccc12	913428706	PSIOGPVSHLVWPA-UHFFFAOYSA-N	314.341	1.483	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(O)c2ccsc2c1	843971822	RLGZABOVQYLREF-WCBMZHEXSA-N	320.370	1.793	50	20	DDGD	
C[C@H]1CC[C@@H](CCC(=O)NNC(=O)c2ccc3c(c2)OCO3)O1	743284504	LDPJFLQKLLOPLO-JQWIXIFHSA-N	320.345	1.524	50	20	DDGD	
COc1cc(C(C)=NNC(=O)c2cnn(C)c2)cc(OC)c1O	842527180	KGDXHLROROLZCB-UHFFFAOYSA-N	318.333	1.297	50	20	DDGD	
O=C(NC[C@@H]1CC1(Cl)Cl)NNC(=O)c1ccccc1	915908781	UIYPESGMQWUAPW-VIFPVBQESA-N	302.161	1.824	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnccc1C(F)(F)F	847099532	RBPYFTIWGWWSIZ-SFYZADRCSA-N	317.267	1.286	50	20	DDGD	
CC/C=C(/C)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	744550080	XLFHGRDJUMZKOV-SDQBBNPISA-N	304.346	1.656	50	20	DDGD	
Cc1nn(Cc2ccccc2)c(C)c1C(=O)NNC(=O)N(C)C	746008226	ITFAPSMDTQYXGN-UHFFFAOYSA-N	315.377	1.464	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)Cc1ccc(OC)nc1	841628271	RXPDRMJXHRJBOS-LBPRGKRZSA-N	309.366	1.176	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@H](C#N)CC)cc1OC	845087222	MEGMRWXCFTZNIK-SNVBAGLBSA-N	305.334	1.405	50	20	DDGD	
O=C(CCCOc1cccnc1)NNc1nccnc1Cl	743415242	SDOLVADSZWBDQN-UHFFFAOYSA-N	307.741	1.827	50	20	DDGD	
CC(C)Oc1cccc(CC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	843647348	MIARGKBLXOXTES-IUODEOHRSA-N	320.389	1.589	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=C1CCC(O)(C(F)(F)F)CC1	842551798	FQFBRYYUTGWYHI-YBBDEUDCSA-N	308.300	1.751	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCC2=CCNCC2)c(F)c1	841972219	XXZOXLHYQRICCC-UHFFFAOYSA-N	322.340	1.158	50	20	DDGD	
Cc1cccnc1NNC(=O)NC[C@@H](C)C(=O)OC(C)(C)C	848668928	UHEDKEAAWIZVBZ-LLVKDONJSA-N	308.382	1.994	50	20	DDGD	
Cc1ccc(SCCC(=O)NNC(=O)c2cc[nH]n2)cc1C	855361720	HWCYXSZPQQEPFY-UHFFFAOYSA-N	318.402	1.970	50	20	DDGD	
CC(C)(C)OC(=O)C1(C(=O)NNC(=O)c2cccnc2)CCC1	854146164	DZPKRKKQLNNIIL-UHFFFAOYSA-N	319.361	1.355	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)N[C@@H]2C[C@]2(C)OC)cc1	852686900	BRHHUVTZLREWJS-CJNGLKHVSA-N	321.377	1.136	50	20	DDGD	
Cc1cc([C@@](C)(O)CNC(=O)NNC(=O)C2CCCC2)c(C)o1	753334543	IJIPSXLPPTYEAV-INIZCTEOSA-N	323.393	1.625	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc(N(C)C)c(F)c1)C1CC1	855101850	CRTKLZCVYLQCFC-VIFPVBQESA-N	324.425	1.799	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@@H]1CSCCS1	855090858	SLXLUMDGKJXUIL-VIFPVBQESA-N	305.494	1.130	50	20	DDGD	
CS[C@@H](C)CC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855832141	VITDGCHURWIUPY-JTQLQIEISA-N	317.455	1.218	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCNC(=O)[C@@H]1c1cccc(C)c1	856207564	IRFQOYADJFDAQJ-SZGZABIGSA-N	313.357	1.439	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cn1cc2ccccc2n1)C1CC1	855101668	XMUHGDWIMYUBJQ-JTQLQIEISA-N	317.418	1.330	50	20	DDGD	
O=C(NNC(=O)c1ncccn1)c1cccc(N2CCCC2)c1	854952541	LFFWZHIFFSOXHX-UHFFFAOYSA-N	311.345	1.152	50	20	DDGD	
COC(=O)[C@H](C)Oc1ccc(C=NNC(=O)c2ccc[nH]2)cc1	758374677	UQDRTHCFFJASNY-NSHDSACASA-N	315.329	1.719	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)c1cccc(F)n1)C(C)(C)C	852164039	NWSSNIQOERDGMG-JTQLQIEISA-N	312.345	1.226	50	20	DDGD	
C#CCNC(=S)NNC(=O)c1ccc(OC(C)C)c(OC)c1	758181619	RXXPQTIOMOWRPM-UHFFFAOYSA-N	321.402	1.225	50	20	DDGD	
CC1(C)CCC[C@@H](C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1	752724041	QQVBXRZZNIWQCO-VXGBXAGGSA-N	300.424	1.740	50	20	DDGD	
O=C(CN[C@H]1CCC[C@@H]1Cc1ccccc1)NNC(=O)C1CC1	755073104	WMHSWOPZQFANOA-CVEARBPZSA-N	315.417	1.545	50	20	DDGD	
C[C@H](CCO)CCNC(=O)NC[C@]1(C)C[C@H]1Br	856957749	HGMWHHXFXZHVAW-UMNHJUIQSA-N	307.232	1.868	50	20	DDGD	
CCN1CCC[C@H](NC(=O)NNc2cccc(C#N)c2)C1=O	925963001	IKQPHPTYVCWQKH-ZDUSSCGKSA-N	301.350	1.195	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1	756507783	FNIBCFYZXWVBLR-GFCCVEGCSA-N	320.393	1.643	50	20	DDGD	
Cc1ncc(C=NNC(=O)[C@@H](C)Oc2ccc(F)cc2)n1C	853275229	MWSLCXFOMVXAQW-SNVBAGLBSA-N	304.325	1.785	50	20	DDGD	
CCn1cc(C(=O)C(=O)Oc2ccc([N+](=O)[O-])cc2OC)cn1	758961213	NEVJPXIGKTYBOF-UHFFFAOYSA-N	319.273	1.608	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2ccc(C)o2)cc1OC	753887860	PIUCSJJXRYIOLX-UHFFFAOYSA-N	318.329	1.609	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)Cc2ccccc2F)nn1C	757754313	REVWIBXJMWARDO-UHFFFAOYSA-N	305.313	1.263	50	20	DDGD	
COC1CC(C(=O)NNC(=O)c2cccc(OC(F)F)c2)C1	859182660	DBIGKIYAWLWZTN-UHFFFAOYSA-N	314.288	1.474	50	20	DDGD	
C[C@]1(CNc2cncc(-n3cncn3)n2)C[C@H]1Br	856787655	ZGKVMUPMIMLODP-LDYMZIIASA-N	309.171	1.643	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NNC(=O)C1CCC1	859328123	KVPMSKMKIBBWDJ-SNVBAGLBSA-N	313.398	1.579	50	20	DDGD	
C[C@@]1(CNC(=O)N2CCC(CN)CC2)C[C@@H]1Br	857105928	VJCLKMZYGANJMI-JQWIXIFHSA-N	304.232	1.540	50	20	DDGD	
CN1C(=O)CC[C@H]1CC(=O)NNc1cc(C(F)(F)F)ccn1	854678094	RRYKYCBTPDZTQX-VIFPVBQESA-N	316.283	1.554	50	20	DDGD	
Cc1nc(CCC(=O)NNC(=O)OCC(F)(F)F)cs1	856023830	XSQWANIHJVATKI-UHFFFAOYSA-N	311.285	1.704	50	20	DDGD	
C[C@H]1Cc2cc(C(=O)NNC(=O)CC(F)(F)F)ccc2O1	854997581	OSKBYZWSOPGXPE-ZETCQYMHSA-N	302.252	1.723	50	20	DDGD	
CC(C)c1ncc(C=NNC(=O)Cc2cc(O)nc(O)n2)s1	758377988	HRGPQAPPLFTVGO-UHFFFAOYSA-N	321.362	1.161	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1ccc2occc2c1	861804779	UARPUXGCLHSEFD-UHFFFAOYSA-N	303.318	1.565	50	20	DDGD	
COCc1ncc(C(=O)NNCC(F)(F)C(F)(F)F)s1	863098286	BFDWHMJVXYMUBJ-UHFFFAOYSA-N	319.255	1.722	50	20	DDGD	
C[C@H](NNC(=O)CNC(=O)Cc1cccc(F)c1)C(F)(F)F	862309573	MTBAOHGVSLIUAG-QMMMGPOBSA-N	321.274	1.056	50	20	DDGD	
CCN(CC)c1ccc(C=NNC(=O)CS(C)(=O)=O)cc1	863190396	VAORMZMAQHLQCB-UHFFFAOYSA-N	311.407	1.028	50	20	DDGD	
CC(C)c1ccc(CCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1	862452869	OQOODJSGSTYTBM-AWEZNQCLSA-N	317.389	1.169	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H](CC(C)C)NC(C)=O)c1	860329793	HINNRWKCFPGYNW-CQSZACIVSA-N	311.357	1.828	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(OC)nn2)c([N+](=O)[O-])c1	768332176	GISIQUBSDDKDFJ-UHFFFAOYSA-N	319.277	1.159	50	20	DDGD	
CN(NS(=O)(=O)CCCN1CCCC1)C(=O)OC(C)(C)C	867389475	QNUXXNIOFLOQTA-UHFFFAOYSA-N	321.443	1.174	50	20	DDGD	
C=C(CN(C)C)C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	763923608	JVUDXIFCFCWEDP-CQSZACIVSA-N	319.405	1.336	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(CC)CCNC(=O)OC(C)(C)C	862708868	XCPOIJCBZIPKQS-VAWYXSNFSA-N	311.382	1.804	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Cc1cc(C)[nH]n1)c1ccc(F)cc1	869016918	UBNMWEHLKRMHRW-CQSZACIVSA-N	318.352	1.741	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@@H]2CCSC2)c1C	761805473	RGWGMGZYTPTWLS-QWHCGFSZSA-N	322.430	1.971	50	20	DDGD	
Cc1c(C(=O)O)oc2c1C(=NNC(=O)c1cn[nH]c1)CCC2	863156189	PJLRFVHYQKIHNC-UHFFFAOYSA-N	302.290	1.480	50	20	DDGD	
CCC[C@H](C)N1C[C@H](C(=O)NNc2cccc(C)n2)CC1=O	862523516	HHXNKYFHPSPELV-QWHCGFSZSA-N	304.394	1.870	50	20	DDGD	
O=C(NN=Cc1cn(-c2ccc(F)cc2)nn1)[C@@H]1CCCCO1	863116481	QXOWLMWULTZJFE-AWEZNQCLSA-N	317.324	1.426	50	20	DDGD	
C[C@]1(C(=O)NNc2ccccc2S(N)(=O)=O)C[C@H]2CC[C@H]1C2	863910603	XIBJYXDYRDXFKB-PGUXBMHVSA-N	323.418	1.603	50	20	DDGD	
C[C@H](NNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C(F)(F)F	862305800	WOVLFRGEXQGETK-ZETCQYMHSA-N	320.271	1.846	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1cc(C)cs1	862477105	GHFBNYKCWYUBBB-NSHDSACASA-N	323.418	1.609	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)n1	860728620	URYYZYWFVHEWLR-TVYUQYBPSA-N	315.764	1.741	50	20	DDGD	
CCO[C@@H](C(=O)NNc1ccc(F)c(C(=O)OC)c1)C1CC1	861924643	LXAXWAYFDMPNMW-CYBMUJFWSA-N	310.325	1.871	50	20	DDGD	
O=C(CCSc1ccc(F)cc1)NNC(=O)c1cncnc1	760621326	QFGUSXOTYKPUDP-UHFFFAOYSA-N	320.349	1.559	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)C2CCCC2)Oc2ccccc2NC1=O	864845186	MWQYQRCBQSQEAF-INIZCTEOSA-N	317.345	1.114	50	20	DDGD	
Cc1ccccc1NC(=O)C(=O)NNC(=O)c1ccccc1O	763526778	FNNIXGIQSYKSBM-UHFFFAOYSA-N	313.313	1.100	50	20	DDGD	
COc1ccc(NC(=O)NNc2nccnc2OC)cc1OC	764596620	MUGWXNCEUNSYEW-UHFFFAOYSA-N	319.321	1.651	50	20	DDGD	
CN1CCC[C@@H](NC(=O)NNc2cccc(F)c2Cl)C1=O	875340804	FGXGYLDOJYFRGQ-SNVBAGLBSA-N	314.748	1.726	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)C[C@H]2CCC(=O)N2)c1	873754267	IKTBJEJHNVLJJP-LLVKDONJSA-N	320.418	1.290	50	20	DDGD	
COC(=O)[C@H](C)SCC(=O)NNC(=O)c1ccc(C)cc1	777504093	QDSPTXRQKRQOKW-JTQLQIEISA-N	310.375	1.051	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1cnccc1N(C)C	776180326	MCTVKPVFTWUPFV-UHFFFAOYSA-N	312.373	1.849	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(C(C)=O)o2)nc1	772452772	KZSDMUPROUDNAM-UHFFFAOYSA-N	303.274	1.421	50	20	DDGD	
Cc1cc(=NNC(=O)NC2CCN(C(C)(C)C)CC2)cc[nH]1	875126251	HDWQVOVKOIIFNG-UHFFFAOYSA-N	305.426	1.701	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1c(O)cccc1O)c1ccccc1	770408058	IBZQQKFMEVBKGZ-UHFFFAOYSA-N	314.341	1.837	50	20	DDGD	
CONC(=O)C1CCN(C(=O)NCCSSC)CC1	873006929	CHZZTCMVFOSFIV-UHFFFAOYSA-N	307.441	1.097	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)C1CCC=CCC1	873751379	REOLLMUACLYGPW-OAHLLOKOSA-N	316.357	1.720	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C(/C)c1ccccc1	772038432	VVYDHBFQCRJVGL-NLYDNYMLSA-N	304.346	1.579	50	20	DDGD	
CC(CCc1c[nH]c2ccccc12)=NNC(=O)CS(C)(=O)=O	872394026	MRQDUWSINUQWQO-UHFFFAOYSA-N	321.402	1.637	50	20	DDGD	
CC(C)[C@H]1C[C@H](NC(=O)NNC(=O)CC(F)(F)F)CCO1	772620995	RFEIWSKIYSVKKB-RKDXNWHRSA-N	311.304	1.473	50	20	DDGD	
COc1ccccc1NCC(=O)NN=Cc1ccc(F)nc1	777419852	DHYDKVXUYMJZMN-UHFFFAOYSA-N	302.309	1.792	50	20	DDGD	
CC[S@@](=O)CCNC(=O)NNc1cccc(F)c1Cl	1119152089	KDTMVRMWFJMVTD-LJQANCHMSA-N	307.778	1.874	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)C(=O)N1CCC[C@H](C)C1	772829663	CRFUCAUJALRYOZ-NSHDSACASA-N	305.382	1.302	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cccnc1S	777772939	PUMRAKJYQRFJAW-UHFFFAOYSA-N	303.343	1.914	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@@H]2C(C)C)c1	777562990	JQKCPACFZLRELV-OAHLLOKOSA-N	303.406	1.876	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)NC[C@H]1C=CCC1	883781799	RPMGUHIQRZILOL-NSHDSACASA-N	309.391	1.682	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(F)c(C)cc1F	772187973	ZEEWSKZFRVTPDG-QMMMGPOBSA-N	314.288	1.376	50	20	DDGD	
Cn1ccnc1CCC(=O)NC[C@]1(C)C[C@H]1Br	1123930633	IQPASGAVGNOHTM-SKDRFNHKSA-N	300.200	1.642	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C(=O)Nc2ccsc2)c1	784854509	JGTHWMJPOURTHP-UHFFFAOYSA-N	319.342	1.617	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C[C@H](NC(C)=O)c1ccc(C)cc1	780708836	KHOFGQHALMDLMD-AWEZNQCLSA-N	320.393	1.255	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=C1COC[C@@H]1C	884393289	ZOUHBSFDUMTFHC-NSHDSACASA-N	300.362	1.737	50	20	DDGD	
COc1ccc(NNC(=O)NCCCOC[C@H]2CCOC2)nc1	781000578	UIQRLVOYOWRSFA-GFCCVEGCSA-N	324.381	1.160	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CCCC(C)(C)C1	785908434	HMMYWHXVYDEMEN-VXGBXAGGSA-N	315.414	1.337	50	20	DDGD	
NC(=O)c1ccccc1C=NNC(=O)Cc1c[nH]c2ccccc12	788705136	RMUGPBYMJWIPHW-UHFFFAOYSA-N	320.352	1.960	50	20	DDGD	
CN(C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)CCCCl	882008852	YGWFPEIORIDBQW-FRRDWIJNSA-N	324.874	1.129	50	20	DDGD	
COCCONC(=O)NNc1ccc(Br)c(F)c1	789339720	JUJXTLSPFHHNAT-UHFFFAOYSA-N	322.134	1.792	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc([N+](=O)[O-])cc2O)nc1	781515433	APFSQYVRTUYZCY-UHFFFAOYSA-N	304.262	1.461	50	20	DDGD	
COCC[C@H](Cc1ccco1)NC(=O)NNC(=O)CC(C)C	784473159	PXMJQAAJINDNCZ-GFCCVEGCSA-N	311.382	1.604	50	20	DDGD	
Cc1nnsc1C(=O)NNc1ccc(C(F)(F)F)nn1	788000205	ILMNREDNYRABFA-UHFFFAOYSA-N	304.257	1.412	50	20	DDGD	
O=C1NCCC[C@@H]1C(=O)NNc1ccc(-c2ccccc2)nn1	896904950	ZDEMCGYEHURHSD-LBPRGKRZSA-N	311.345	1.113	50	20	DDGD	
CN(CC(=O)N1CCCC1)C(=O)/C(C#N)=C\c1ccc(O)cc1	786782711	YPFYVHDGQKQOSO-UVTDQMKNSA-N	313.357	1.380	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C[C@H]2CCO[C@H](C(C)C)C2)n[nH]1	781709932	NQUVWZNWVGQCQX-AAEUAGOBSA-N	308.382	1.320	50	20	DDGD	
CCC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)c1cn[nH]c1	788974797	HRESAGRWRXDNCP-UHFFFAOYSA-N	302.294	1.444	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNc1nc(O)c2ccccc2n1	896418339	MKYIRUXMNKAOEB-AAEUAGOBSA-N	314.345	1.760	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	788263757	QFUZUFPNKJCGIS-XPSVCEGCSA-N	306.406	1.677	50	20	DDGD	
Cn1cc(-c2n[nH]cc2C(=O)NNc2cc(Cl)ccn2)cn1	780998139	IQYQKGQOEREJMB-UHFFFAOYSA-N	317.740	1.616	50	20	DDGD	
CSSCCNC(=O)NCC1(S(C)(=O)=O)CCC1	790845709	CQVFVNIFAHLSPD-UHFFFAOYSA-N	312.482	1.264	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCOC3(CCC3)C2)cc1O	899218386	BFXJRCNQOJVAOD-ZDUSSCGKSA-N	318.373	1.811	50	20	DDGD	
O=C(NNC(=O)c1cnn2cccnc12)c1cccc(Cl)c1	890719608	IOEUFQPDZXOSSF-UHFFFAOYSA-N	315.720	1.458	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2CCC(=O)c3cccn32)n1	790015547	KYTAMMVBLOAHKF-NSHDSACASA-N	300.318	1.553	50	20	DDGD	
O=C(NN=C1CCC[C@H](c2cccnc2)C1)C(=O)NC1CC1	799871552	AZIMHZIGEFYEAF-NSHDSACASA-N	300.362	1.490	50	20	DDGD	
Cc1ccc2c(c1)SCC2=NNC(=O)[C@H]1CCS(=O)(=O)C1	797787256	ISHVSQYUSJBTJV-JTQLQIEISA-N	324.427	1.356	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cnn(C(C)(C)C)c1	793080013	XZBGGJYJHLYENF-UHFFFAOYSA-N	316.452	1.704	50	20	DDGD	
Cc1cccnc1NNC(=O)c1ccc(N2C(=O)CCC2=O)cc1	791215200	LLVLYFXIVUZCLP-UHFFFAOYSA-N	324.340	1.800	50	20	DDGD	
O=C(NNC(=O)c1cccc2ncccc12)NOCC(F)F	793187226	RQQDULDQTCSNFF-UHFFFAOYSA-N	310.260	1.376	50	20	DDGD	
CO[C@@H](C(=O)NNc1nccnc1C(C)C)c1cnn(C)c1	799001868	KIRZQASWRGREOA-GFCCVEGCSA-N	304.354	1.164	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)NCc2ccco2)cc1	797358999	WEYDDCAWJNPUQD-UHFFFAOYSA-N	319.317	1.198	50	20	DDGD	
CCCC[C@H](SCC(=O)NNC(=O)C1CC1)C(=O)OC	794450725	PPGZMQAYANKAMH-JTQLQIEISA-N	302.396	1.009	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ncoc1-c1ccccc1	798305216	VMMLGFIDZDUBHB-UHFFFAOYSA-N	302.359	1.637	50	20	DDGD	
CSc1cccc(F)c1C(=O)NNc1nccn(C)c1=O	799101151	IBIMQBFJIJSSKE-UHFFFAOYSA-N	308.338	1.398	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cccs1)Cc1cscn1	49069053	FKOLXEOWEKBLTG-UHFFFAOYSA-N	310.404	1.098	50	20	DDGD	
Cc1ccccc1OCCC(=O)NNC(=O)c1cccn1C	1317704229	YYQSPQYCDIYJFZ-UHFFFAOYSA-N	301.346	1.564	50	20	DDGD	
O=C(CSCc1cccs1)NNC(=O)Cc1cccnc1	1318266231	WAOATAFQZSNDRS-UHFFFAOYSA-N	321.427	1.766	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H](C)c2ccccn2)cc1	1317876832	DTVGSTFFTDZQFZ-LLVKDONJSA-N	314.345	1.795	50	20	DDGD	
O=C(CO[C@H]1CCOC1)NNc1ccccc1OC(F)(F)F	1325911628	SRKAMTGCFTWBRH-VIFPVBQESA-N	320.267	1.834	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1ccc(Br)c(F)c1	1324025992	DDIWKACUWYHFOZ-UHFFFAOYSA-N	317.114	1.601	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NNC(=O)CC1CC1	1329274732	QPHSXRMJKFMRSK-GMXVVIOVSA-N	323.393	1.189	50	20	DDGD	
Nc1cnnc(NNC(=O)N[C@H]2CCCc3c[nH]nc32)c1Cl	1324022938	WNMYFIBSZNVLNV-QMMMGPOBSA-N	322.760	1.139	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2n[nH]c3c2CCCC3)no1	1325320096	DVLKQSYYYKINBU-UHFFFAOYSA-N	304.310	1.051	50	20	DDGD	
C=C[C@@H](COC)NC(=O)NNC(=O)CSc1ccc(C)cc1	1320603932	CNWDCWSBSQYTIH-LBPRGKRZSA-N	323.418	1.619	50	20	DDGD	
COc1c(C)ccc(NC(=O)NNC(=O)C2CCNCC2)c1C	1325611481	VQRWXSPOTFFSGC-UHFFFAOYSA-N	320.393	1.464	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)c1ccccc1Cl)[C@H]1CCCO1	1321433806	NGIFAMZCYNDYNS-CHWSQXEVSA-N	321.764	1.465	50	20	DDGD	
O=C(CO[C@H]1CCOC1)NNc1cccc(Br)c1	1253412016	VETDMADOJLLWNZ-NSHDSACASA-N	315.167	1.698	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@]1(C)CC(C)=NO1	1336772012	HLSDJZKFZGMPPG-AWEZNQCLSA-N	322.390	1.568	50	20	DDGD	
CN(C)Cc1cc(C(=O)NNCC(F)(F)C(F)(F)F)no1	1331722977	OFAXFKVEAPVOOO-UHFFFAOYSA-N	316.230	1.168	50	20	DDGD	
Cn1cc(C(=O)NNC(=S)Nc2ccccn2)c(C2CC2)n1	1332403175	YNTBNZAXNMQMOG-UHFFFAOYSA-N	316.390	1.324	50	20	DDGD	
Cc1noc(C(F)F)c1C(=O)NNC(=O)C1CCOCC1	1262109731	DTQUTBQTSDBCTB-UHFFFAOYSA-N	303.265	1.108	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@@]1(F)CCOC1	1261216405	VIZNLPUNRZAHTG-CYBMUJFWSA-N	316.716	1.238	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)C1CCNCC1)C1=CCCC1	1261375940	DEDBBXZNHFBRNL-UHFFFAOYSA-N	308.426	1.453	50	20	DDGD	
CCc1ncoc1C(=O)NNC(=O)CCOc1ccccc1	1346776963	QVEJXWFDVWUFFF-UHFFFAOYSA-N	303.318	1.467	50	20	DDGD	
C[C@@]1(CCNC(=O)NNC(=O)C2CCNCC2)C[C@]1(F)Cl	1349580690	FFVLWQRETHHFGC-CHWSQXEVSA-N	320.796	1.021	50	20	DDGD	
C[C@@H]1CCN(C(=O)C(=O)NC[C@@]2(C)C[C@H]2Br)C1	1347968510	XQKREIPJCJBKAS-KBVBSXBZSA-N	303.200	1.145	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCCC(F)F	1520037888	UXGDGILPYHDHKG-QMMMGPOBSA-N	319.283	1.579	50	20	DDGD	
C=C(C)C[C@H](C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	1609050751	ADNULNPKWJQZAE-JTQLQIEISA-N	314.349	1.230	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@@H](C(=O)O)C1)OCC(F)(F)F	1601553866	XXOKVMULNPSUES-NKWVEPMBSA-N	312.244	1.197	50	20	DDGD	
O=C(O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)NNc1ncncc1Cl	1602211168	SJXSXMGHPMTDPV-HLFFCZDVSA-N	322.752	1.486	50	20	DDGD	
O=C(NCC[C@H]1CCOC1)NNc1ccc(C(=O)O)c(F)c1	1608442088	AOKKWUGKDRKUPZ-VIFPVBQESA-N	311.313	1.577	50	20	DDGD	
CCCn1nccc1C(=O)NNc1ccc(C(=O)O)cc1OC	1605390561	HTJXSUHHTKQOMJ-UHFFFAOYSA-N	318.333	1.757	50	20	DDGD	
NC(=O)CC1(NC(=O)C2CCC(Cl)CC2)CCOCC1	1548663146	ABZUMEMYUNSPMV-UHFFFAOYSA-N	302.802	1.325	50	20	DDGD	
O=C(/C=C(/CBr)N1CCOCC1)C(F)(F)F	107528029	GXJOWVIDQBCAPP-ALCCZGGFSA-N	302.090	1.729	50	20	DDGD	
C[C@@H]1COCC1=NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C	1550194971	TWIGHSIPFGNNCL-JTNHKYCSSA-N	306.366	1.026	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@@H]1C=NNC(=O)[C@H]1CCCO1	1552762867	MZHMFGZCSPMCQK-JHJVBQTASA-N	306.366	1.262	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)C2(C3CCNCC3)CC2)o1	1575867649	MEMIICPWHNQOQJ-UHFFFAOYSA-N	317.393	1.893	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@H]3CCCCN3)cc2C1	1573650148	WUKWTVWWJYQKDK-ZYHUDNBSSA-N	321.446	1.776	50	20	DDGD	
CCCNC(=O)NNC(=O)C[C@@H](N)c1ccccc1OCC	1577544887	CSOPFRVJQSDBII-GFCCVEGCSA-N	308.382	1.216	50	20	DDGD	
N[C@@H]1CCCCC[C@@H]1C(=O)NNC(=O)CNc1ccccc1	1580367955	HJAHIRCYGOSFCW-UONOGXRCSA-N	304.394	1.154	50	20	DDGD	
C=C1CC(C(=O)N2CC3(CCCN3C(=O)[C@H](F)Cl)C2)C1	1843361612	FOSOENHYGIORHI-NSHDSACASA-N	300.761	1.690	50	20	DDGD	
CO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)C(C)(C)CCl)C1	1841227519	ORSGELBPTBJSAI-NSHDSACASA-N	316.829	1.490	50	20	DDGD	
Cc1nc[nH]c1C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1843521831	MUZWHOJURBRBPC-JTQLQIEISA-N	314.748	1.070	50	20	DDGD	
O=C(NC[C@H]1CCSC1)NNc1cccc(-c2nn[nH]n2)c1	1593044365	GQNYSXFIMPTUBY-SECBINFHSA-N	319.394	1.246	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)CCCC(=O)O)c1	1594364562	MSTZQNNDQINOBQ-UHFFFAOYSA-N	313.354	1.707	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2ccn(C)n2)C1	1842467769	IBKLZUNEIVVVQX-LLVKDONJSA-N	324.812	1.255	50	20	DDGD	
O=C(/C=C/COc1ccccc1)NNc1ncccc1C(=O)O	1594668814	XIVJMDGDHPVJFX-WEVVVXLNSA-N	313.313	1.858	50	20	DDGD	
O=C(NN=C1C[C@H]2C=C[C@@H]1CC2)c1ccc(-c2nn[nH]n2)cc1	1593155553	POPLXMPRYVSMAF-WDEREUQCSA-N	308.345	1.939	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)Nc1cc(Cl)ccn1	1594782240	UHMSILZXTIJKGH-UHFFFAOYSA-N	307.697	1.977	50	20	DDGD	
C[C@@H](Oc1ccccn1)C(=O)NNc1ccc(F)c(C(=O)O)c1	1593656212	UQKQLPKCATVDFJ-SECBINFHSA-N	319.292	1.830	50	20	DDGD	
CC(=NNC(=O)c1cc[nH]n1)c1cnc2ccccc2c1C(=O)O	1776091998	ROMHLVCXBJAQDS-UHFFFAOYSA-N	323.312	1.810	50	20	DDGD	
Cn1nc(C(=O)O)cc1C=NNC(=O)CCc1ccccc1	1776041139	TVYAGQGDLDPNPB-UHFFFAOYSA-N	300.318	1.201	50	20	DDGD	
Cn1cc(C=NNC(=O)c2ccc(C(=O)O)cc2)c(C(F)F)n1	1776100933	IGQKJYXOBPHRIY-UHFFFAOYSA-N	322.271	1.820	50	20	DDGD	
C=CCCCCNC(=O)NNC(=O)COCc1ccccc1	274597977	QNMYIWKVYRIBST-UHFFFAOYSA-N	305.378	1.890	50	20	DDGD	
CC(C)CO[C@@H]1CCN(C(=O)NNC(=O)c2ccccc2)C1	153705200	HYIVNBFSCBVGRT-CQSZACIVSA-N	305.378	1.788	50	20	DDGD	
CCCC[C@H](COC)NC(=O)NNc1cncc(Cl)n1	153795398	ANFCEUYITAGPAC-SECBINFHSA-N	301.778	1.961	50	20	DDGD	
CC1(C(=O)NNC(=O)C(=O)Nc2ccccn2)CCCCC1	156008035	KLSRZRKIQBNLBY-UHFFFAOYSA-N	304.350	1.138	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cccc(C)c1)C[C@@H](C)C#N	155272305	VSUOJIOXGYEPPU-ZDUSSCGKSA-N	302.378	1.238	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNc1ncnc2nc[nH]c12	156327457	FQLSLKAQKJXOIF-UHFFFAOYSA-N	302.269	1.014	50	20	DDGD	
O=C(COC[C@H]1CCCO1)NNc1cccc(C(F)(F)F)n1	155839523	AEPQELVYRODMOG-SECBINFHSA-N	319.283	1.739	50	20	DDGD	
CCc1nn(C)c(Cl)c1C(=O)NNC(=O)c1cccn1C	157439564	NCYPNUMOQWAVOY-UHFFFAOYSA-N	309.757	1.049	50	20	DDGD	
CC(C)c1nccn1CCNS(=O)(=O)CBr	921527357	LRUFOBJCWKHUPO-UHFFFAOYSA-N	310.217	1.278	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)NC(=O)OCc1ccccc1	862287064	MFVASVIFPPKKIV-NWDGAFQWSA-N	306.318	1.095	50	20	DDGD	
O=C(Cc1ccc(Br)cc1)NNC(=O)c1ccc[nH]1	6991063	DYFFZKMCOAOCQJ-UHFFFAOYSA-N	322.162	1.781	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)Cc1ccccc1F	8415513	ZSFSRILEZHBPDH-UHFFFAOYSA-N	304.296	1.897	50	20	DDGD	
O=C(COc1ccc(Cl)cc1)NNC(=O)Cc1cccnc1	103424908	ILLPMSCGMMSTBX-UHFFFAOYSA-N	319.748	1.504	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCOc2cc(F)ccc21	118409560	VOJBAFAMPKTVDW-NSHDSACASA-N	323.368	1.607	50	20	DDGD	
COc1ccc2nc(C)c(C(=O)NNC(=O)NC3CC3)cc2c1	64429209	BWBYQZDVMLBFCZ-UHFFFAOYSA-N	314.345	1.658	50	20	DDGD	
CNC(=O)NNC(=O)CN(Cc1cccnc1)c1ccccc1	118319545	OKSRJFIGDRLAMR-UHFFFAOYSA-N	313.361	1.048	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@@H]1C[C@H]1C1CC1	176456408	CNWMEBSJDRJJLV-QWHCGFSZSA-N	318.373	1.658	50	20	DDGD	
Cc1[nH]ccc1C(=O)NNC(=O)c1cc(Br)c[nH]1	175077093	XHVJSRUQYUVRGN-UHFFFAOYSA-N	311.139	1.489	50	20	DDGD	
O=C(Cn1cnnn1)NN=C(c1ccccc1)c1ccccc1	66278282	VYLWPBQOOFPUDD-UHFFFAOYSA-N	306.329	1.242	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(Br)nc1	175003465	XCHXBRNHKNKWRQ-UHFFFAOYSA-N	315.196	1.139	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCCOCc1ccccc1	65086664	IWKLPUJFEZMYOP-UHFFFAOYSA-N	315.373	1.783	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2[nH]nc3c2CCCC3)n1	174484118	CLNMSRCZERIEAB-UHFFFAOYSA-N	302.338	1.152	50	20	DDGD	
C=CCNc1ncc(C(=O)NNc2ccc(Cl)nn2)s1	178548383	SNUTYAFCGZTQQY-UHFFFAOYSA-N	310.770	1.941	50	20	DDGD	
CCOc1cn(-c2ccccc2)nc1C(=O)NNc1cccnn1	172372140	FEWKKPJNEFVLCZ-UHFFFAOYSA-N	324.344	1.818	50	20	DDGD	
CSc1nc(C(=O)NNc2ncc(F)cn2)c2ccccn12	122861389	GGTWNUNZKLJFKV-UHFFFAOYSA-N	318.337	1.742	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1	64486625	GSGHDZKUOZCWJW-NWDGAFQWSA-N	323.780	1.116	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccc3[nH]nnc3c2)cc1	302876893	QWDGHZDVCSYALL-UHFFFAOYSA-N	309.329	1.595	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN([C@@H](C)c2nccs2)CC1	185702942	ZLRJMRZQJOUCRT-OWRWYXLESA-N	320.418	1.792	50	20	DDGD	
CC(=O)c1cccc(OCCCC(=O)NNc2cccnn2)c1	77032809	SKDNUGFWJNMAIY-UHFFFAOYSA-N	314.345	1.982	50	20	DDGD	
O=C(CN(Cc1cccnc1)C1CC1)NNC(=O)c1ccccc1	180273578	SUJQLTVJUQYHCT-UHFFFAOYSA-N	324.384	1.507	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)C1(c2ccccc2)CC1	78399970	JEVIDNFSVUASPI-UHFFFAOYSA-N	309.369	1.978	50	20	DDGD	
C[C@@H](NC(=O)CC(C)(C)C)C(=O)NNc1ccc(C#N)cc1	187078586	MTJQACZGKXZQBV-LLVKDONJSA-N	302.378	1.942	50	20	DDGD	
C[C@H](C[S@](C)=O)NC(=O)NNc1ccc(OC(F)F)cc1	182603957	IRPAXKMERHHVKC-ZEDNOMKYSA-N	321.349	1.681	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CCCOC(C)C)c1	184136595	ORIQBTGIIQQXJN-UHFFFAOYSA-N	308.378	1.726	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NC[C@H](C)C#N	182862315	JCYLVGCPSPRKAB-LLVKDONJSA-N	304.350	1.118	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CCNC(=O)C(C)(C)C	42658382	KNIMIFQTUXKIMY-UHFFFAOYSA-N	305.378	1.308	50	20	DDGD	
COCCOc1ccc(/C=C(\C#N)S(=O)(=O)NC2CC2)cc1	195309013	OQCGRMPDKDBMKZ-XNTDXEJSSA-N	322.386	1.658	50	20	DDGD	
COCCCNC(=O)NNC(=O)C1(c2ccccc2)CCCC1	194442959	ULXPSNDUKUPTGT-UHFFFAOYSA-N	319.405	1.865	50	20	DDGD	
C#CCNC(=O)NNC(=O)c1ccc(OCCC)c(OC)c1	43481046	PCPLIZFZGFUECM-UHFFFAOYSA-N	305.334	1.061	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)OC[C@H]2CCCCO2)o1	84380432	FJCYSINVONCAHO-NWDGAFQWSA-N	310.350	1.323	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccnc2ccnn12	194666017	GOYXKYONTJZZIM-FMIVXFBMSA-N	305.297	1.981	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCc1ccc(Cl)nc1	193761526	WXUHEHFADPIKGU-UHFFFAOYSA-N	300.746	1.974	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cc1cccc([N+](=O)[O-])c1)C1CC1	83678211	HYEMWYKPCAJCGL-SECBINFHSA-N	322.390	1.431	50	20	DDGD	
O=C(C[C@@H]1C(=O)Nc2ccccc21)NNc1nc2ccccn2n1	191909908	SIOCFLLWPIGXOF-NSHDSACASA-N	322.328	1.298	50	20	DDGD	
O=C(NNc1cnccn1)Nc1cc(C(F)(F)F)c[nH]c1=O	92432526	TWIYDGAXMXPVQT-UHFFFAOYSA-N	314.227	1.332	50	20	DDGD	
Cc1c(NNC(=O)NC2CCN(C)CC2)cccc1[N+](=O)[O-]	263969587	LQVPDSFOUQGALO-UHFFFAOYSA-N	307.354	1.624	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2O)O1	268203506	GTCYRMRAYKXZEA-SKDRFNHKSA-N	312.753	1.764	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)NC3CCCCCC3)nc21	269421694	PBPMMJNSWJXOTC-UHFFFAOYSA-N	319.369	1.418	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](C)NC(=O)C2CCCC2)cc1	266989150	HDNOCMXTIDRYHN-LLVKDONJSA-N	305.378	1.833	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2cccc([N+](=O)[O-])c2)[C@H]1OC	275330043	UBUGJGAZUIAPOS-YNEHKIRRSA-N	324.337	1.413	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NOC[C@H]2CCOC2)cc1	276306316	OSONPORQRNXRQQ-LBPRGKRZSA-N	307.350	1.161	50	20	DDGD	
O=C(NNC(=O)c1noc2c1CCCCC2)NC1CCCC1	275673769	ZHSUPSPUWFBKAL-UHFFFAOYSA-N	306.366	1.830	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@H]2COC3(CCCC3)O2)o1	271624956	XODLWNQHJNWIQU-NSHDSACASA-N	323.349	1.218	50	20	DDGD	
CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NC(=O)NNC(=O)c1ccc[nH]1	371099868	NIAOSYBPUQIYNF-JLLWLGSASA-N	306.366	1.162	50	20	DDGD	
COCCn1ccc(NC(=O)NNC(=O)c2ccccc2C)n1	273421228	SEZUEMTZSLXJIJ-UHFFFAOYSA-N	317.349	1.304	50	20	DDGD	
O=C(NC[C@H]1CCSC1)NNC(=O)c1cccc([N+](=O)[O-])c1	279435640	ZRLLZOISFKKEKJ-SECBINFHSA-N	324.362	1.292	50	20	DDGD	
CC(C)NC(=O)c1ccc(NC(=O)NNC(=O)C2CC2)cc1	274150105	YYSRLZOSTSQWAN-UHFFFAOYSA-N	304.350	1.388	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)N[C@H](C2CC2)C(F)(F)F)n1	288936658	WALCHZASSQAWFM-SSDOTTSWSA-N	324.694	1.679	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@@H]2CNC[C@@H]2C1	289814957	ANFOZLGQXDCEPF-CHWSQXEVSA-N	310.829	1.420	50	20	DDGD	
CNC(=O)C1(C(=O)NNC(=O)Nc2cccc(Cl)c2)CC1	283783138	RRTXYRWCLTZNPW-UHFFFAOYSA-N	310.741	1.019	50	20	DDGD	
CC[C@H]1CCC[C@@H]1C(=O)NNC(=O)Cc1cn2ccccc2n1	295409318	VCWHKIJXUGIZCQ-JSGCOSHPSA-N	314.389	1.851	50	20	DDGD	
CN(NC(=O)c1cc(F)c(Br)c(Cl)c1)C(N)=O	802960917	LSDKEBCXKNHITQ-UHFFFAOYSA-N	324.537	1.897	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)c2ccc(O)c(O)c2)[C@H]1SC	807986530	LDBNVFHADXRBRF-QWHCGFSZSA-N	310.375	1.724	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H](C)CCOc2ccccc2)O1	294344856	UHAABQNRPRGZQL-IPYPFGDCSA-N	320.389	1.807	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)[C@H]3CC3(F)F)[nH]n2)cc1	294369001	GRSXYHKLSHTSNV-SNVBAGLBSA-N	320.299	1.801	50	20	DDGD	
O=C(NNC(=O)c1cccc(OC[C@@H]2CCCO2)c1)NC1CC1	299229127	FBAKUNQFDLKLKX-AWEZNQCLSA-N	319.361	1.351	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)NOCC2CC2)cc1OC	297454381	QGGPBSXGVOETCY-UHFFFAOYSA-N	323.349	1.380	50	20	DDGD	
COC(=O)[C@H](CNC(=O)/C(C#N)=C\c1ccc(F)cc1)OC	294069920	QGQATMXBDJOGPX-YLBKJLTLSA-N	306.293	1.037	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@](C)(O)[C@@H](C)c2ccccc2)O1	293865588	IQGFBDPRUXBMGI-MYLCLEHYSA-N	320.389	1.256	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(C)C1CC(NC(=O)OC(C)(C)C)C1	296944750	ONKKFPRZUSINRF-ZHACJKMWSA-N	323.393	1.944	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)C(=O)Nc2ccccn2)[C@H]1SC	807977483	OQALCURUAASUDS-ZYHUDNBSSA-N	322.390	1.033	50	20	DDGD	
C#Cc1cncc(C(=O)NNC(=O)COc2ccccc2CC)c1	806284964	VZMFZVBYNGLLGO-UHFFFAOYSA-N	323.352	1.465	50	20	DDGD	
COCC1(CCNC(=O)NNc2cccc(OC)n2)CCC1	297786830	OAGMHYOWXREKRI-UHFFFAOYSA-N	308.382	1.923	50	20	DDGD	
O=C(Cc1cnn(-c2ccccc2)n1)NNc1cccc(F)n1	804773775	PNDNOLPLJHNKBR-UHFFFAOYSA-N	312.308	1.487	50	20	DDGD	
CSCc1ccc(C(=O)NNC(=O)N2CCN(C)CC2)cc1	807380819	RLZSAHKVSQOHEJ-UHFFFAOYSA-N	322.434	1.151	50	20	DDGD	
C[C@@H](C(=O)NNc1nccnc1C1CCC1)c1cnn(C)c1	805460167	STIKOGYWEKKTCE-SNVBAGLBSA-N	300.366	1.724	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)c2cnc(C)[nH]2)c1	802110481	JGQWSQDGUWVRHC-UHFFFAOYSA-N	323.740	1.847	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1cc(F)cnc1Cl	296550839	FSGOTHWVHYVKFO-UHFFFAOYSA-N	302.737	1.751	50	20	DDGD	
Cc1cc(O)nc2cc(C(=O)NNc3ncncc3F)ccc12	817083279	FMIJPVITHPPCEH-UHFFFAOYSA-N	313.292	1.935	50	20	DDGD	
O=C(NCCc1ccc2c(c1)OCO2)NNc1ncncc1F	814274176	WZHPCWDVNARPOF-UHFFFAOYSA-N	319.296	1.213	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2ccccc2[N+](=O)[O-])c[nH]1	814193770	YZPKUFJOSVMTPO-UHFFFAOYSA-N	304.262	1.466	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1cccc(-n2cnnc2)c1	814956953	QIVYQZVBZOPSRU-UHFFFAOYSA-N	309.333	1.073	50	20	DDGD	
Cn1ccc(C=NNC(=O)c2cc(-c3cccs3)[nH]n2)n1	814876844	JVWOVJXGGYBBBM-UHFFFAOYSA-N	300.347	1.636	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=C1c2ccccc2CC12CCOCC2	814956966	QQJPPUCRWGHRFG-UHFFFAOYSA-N	324.384	1.826	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)c1ccccc1)C(=O)O	818627202	QEKBJEVHNIUNGJ-UHFFFAOYSA-N	307.350	1.522	50	20	DDGD	
CC1(C)CC(=NNC(=O)Cc2cc[nH]n2)c2ccc(O)cc2O1	814956376	USZQVTXOSJXPEC-UHFFFAOYSA-N	314.345	1.739	50	20	DDGD	
CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NNc1cccc(Cl)n1	814316982	XWRLRLBSDDJESA-IUCAKERBSA-N	311.773	1.276	50	20	DDGD	
O=C(Cc1csc(-c2ccccn2)n1)NNC(=O)CC1CC1	819110064	RIVGABUFDJUALO-UHFFFAOYSA-N	316.386	1.695	50	20	DDGD	
N#Cc1ccccc1OCc1ccc(C(=O)NNc2nc[nH]n2)o1	816631755	DFNYRKDNHNSJGB-UHFFFAOYSA-N	324.300	1.605	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(CC(=O)NNc2ncccn2)C1	496797848	SUBNNTUHHHJGAA-UHFFFAOYSA-N	307.354	1.177	50	20	DDGD	
C[C@@H]1CCC[C@@]1(C)C(=O)NNC(=O)Cc1cn2ccccc2n1	826759626	YDLBFXPELSQOHS-SJKOYZFVSA-N	314.389	1.851	50	20	DDGD	
CCCCNC(=O)NNC(=O)C1(C(=O)OC(C)(C)C)CCC1	823763022	OIXHOEYCJFAIQJ-UHFFFAOYSA-N	313.398	1.629	50	20	DDGD	
O=C(NN=Cc1ccc(-c2nn[nH]n2)cc1F)c1ccncc1	823273179	HGVDBFNCSFZTTO-UHFFFAOYSA-N	311.280	1.165	50	20	DDGD	
C[C@@H]1CO[C@@H](CO)CN1C(=O)/C(C#N)=C\c1ccc(F)cc1	490841970	JZTHSPVTFSDIBG-IUAPLRCTSA-N	304.321	1.341	50	20	DDGD	
Cc1[nH]ccc1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	826233617	OUMZVGGKMSGQOE-UHFFFAOYSA-N	318.728	1.309	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)C#CC(C)C)o1	823595442	MRLRZSDSDFYJJF-UHFFFAOYSA-N	305.378	1.542	50	20	DDGD	
CC(C)N(C)c1cccc(NC(=O)NNC(=O)c2cc[nH]n2)c1	821016130	GIUPZBJBGCDFHM-UHFFFAOYSA-N	316.365	1.721	50	20	DDGD	
Cc1ncccc1C=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1	728779981	SDJYJMMJUXWWRR-MELADBBJSA-N	318.421	1.585	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccsc1Br	825481725	SEPDCPUIWDSYDW-UHFFFAOYSA-N	306.185	1.863	50	20	DDGD	
CC[C@H]1CN(CC)CCN1C(=O)/C(C#N)=C\c1cnn(C)c1	490979402	YMFXUESLSDALKY-OWTLUSIOSA-N	301.394	1.270	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](NC(C)=O)C(C)(C)C)c1	828091237	NXCWYRDPVKRUKX-CYBMUJFWSA-N	321.377	1.467	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCc2nc(N)ncc2C1	491102827	JBTPVYMHPYECNW-GHXNOFRVSA-N	321.340	1.256	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cccc(F)c2F)n1	726522756	UMDXHENXYKFSBX-UHFFFAOYSA-N	308.288	1.239	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NNC(=O)C(C)(C)C	490751052	LYTAJKDDSIWUIT-SNVBAGLBSA-N	313.398	1.579	50	20	DDGD	
N#Cc1ccc(N2CCC[C@H]2C(=O)NNc2ncccn2)cc1	728171529	NTEGDYKTEFVOAX-AWEZNQCLSA-N	308.345	1.460	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N(C)CC2(O)CCC2)cc(C#N)n1C	490878342	OAZGVEGZSFPVSN-VGOFMYFVSA-N	312.373	1.486	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ncncc1Cl	495507773	FSQZEBTXWCJMCR-ZETCQYMHSA-N	315.761	1.486	50	20	DDGD	
CC[C@H](NC(=O)c1ccc(B(O)O)cc1)[C@H](C)c1ccccc1	584956728	HCHUYMUEQYUBDV-DYVFJYSZSA-N	311.190	1.679	50	20	DDGD	
CC(C)(CNCc1ccc(B(O)O)o1)c1ccc(Cl)cc1	585018110	HDKIFFWNDRLEEM-UHFFFAOYSA-N	307.586	1.680	50	20	DDGD	
C[C@H](NC(=O)c1cc(B(O)O)ccc1F)[C@H]1CCCC[C@H]1C	584994529	AVTZERPMUMNGDL-MDZLAQPJSA-N	307.174	1.450	50	20	DDGD	
N#CC1=CCN(CCCON2C(=O)c3ccccc3C2=O)CC1	828568248	AGNYKTBUWBUCBD-UHFFFAOYSA-N	311.341	1.760	50	20	DDGD	
CC(C)CS(=O)(=O)CCC(=O)NNC(=O)OC(C)(C)C	490753285	DTKXBODFTNVHOM-UHFFFAOYSA-N	308.400	1.003	50	20	DDGD	
COc1cc(C(=O)NNc2cccnn2)cc2c1O[C@H](C)C2	736710627	IARWHFLZLIMNJV-SECBINFHSA-N	300.318	1.566	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC(C#N)(c2ccccn2)CC1	490942983	QGTKDIQRWFOXPS-OWBHPGMISA-N	310.357	1.909	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNC(=O)NC1CCCC1	900412777	KQKIKUJYYXRUJE-NOZJJQNGSA-N	305.382	1.349	50	20	DDGD	
Cc1ccc(C)c(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1	494741901	IAMWPXJVATXEOM-UHFFFAOYSA-N	321.377	1.589	50	20	DDGD	
C=CCOC[C@H](NC(=O)[C@H](Br)C(C)(C)C)C(=O)O	909771881	SROJTVPDIIEIIL-IUCAKERBSA-N	322.199	1.568	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C#CC1CC1	837309290	ILHPCYYOKMMAQV-UHFFFAOYSA-N	302.330	1.025	50	20	DDGD	
Cc1ccccc1C1(CNC(=O)c2cccc(B(O)O)c2)CC1	584939476	IJTHMSREZHCNFJ-UHFFFAOYSA-N	309.174	1.136	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cc2c(cn1)CCCC2	831827499	NKMXOVRUJBCUDA-ZWNOBZJWSA-N	318.377	1.538	50	20	DDGD	
CS[C@@H]1CCC[C@H]1c1nc(-c2cccc(B(O)O)c2)no1	585052377	KNXGFYDBWKZOBY-VXGBXAGGSA-N	304.180	1.416	50	20	DDGD	
O=C(CNCC(F)(F)F)NNc1ccc(F)c(F)c1F	733360797	UDSYWWMERMSDGY-UHFFFAOYSA-N	301.190	1.699	50	20	DDGD	
C[C@H](c1cccc(NC(=O)NNC(=O)O)c1)N1CCOCC1	736719574	ZUSUEHAIWHAYJT-SNVBAGLBSA-N	308.338	1.384	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H]2CCCN(C)C2=O)cc1	838504683	UVUTVHJLYKMCEV-CYBMUJFWSA-N	306.366	1.332	50	20	DDGD	
CC(C)C1CCC(C#N)(NC(=O)c2ccc(B(O)O)cc2)CC1	584971573	BXYXJDGCRSSJJL-UHFFFAOYSA-N	314.194	1.205	50	20	DDGD	
O=C(CN1CCSC1=O)NNc1cnnc2ccccc12	733811798	PAQPWOKRHINEPV-UHFFFAOYSA-N	303.347	1.242	50	20	DDGD	
CCn1cc(C=NNC(=O)[C@@H]2COc3ccccc3O2)c(C)n1	901129081	WSPOFJJFDKPDKK-HNNXBMFYSA-N	314.345	1.502	50	20	DDGD	
OB(O)c1cccc(-c2noc(CCCC(F)(F)F)n2)c1	585053991	QLWAYGCTQCDIAE-UHFFFAOYSA-N	300.045	1.301	50	20	DDGD	
CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1sccc1C	733747130	KHYITBXWCYXYLJ-JTQLQIEISA-N	315.420	1.267	50	20	DDGD	
COc1ccc(COCCC(=O)NNC(=O)CC(C)C)cc1	736069594	TZYTVBCEBYDGAA-UHFFFAOYSA-N	308.378	1.795	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCSC12CCCCC2	584987948	YLSIZLXEOQRRRI-UHFFFAOYSA-N	323.198	1.355	50	20	DDGD	
C[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H](c2ccco2)C1	584954783	OJZCPTLXDXKKNE-IUODEOHRSA-N	313.162	1.573	50	20	DDGD	
CCC(CC)[C@H]1C[C@@H](NCc2ccc(B(O)O)cc2)CCO1	585034340	OTBSQDQUIFYOTQ-DLBZAZTESA-N	305.227	1.440	50	20	DDGD	
COc1ncnc(OC)c1C(=O)NNc1ccccc1[N+](=O)[O-]	732049597	VILKTCZGBBWVLV-UHFFFAOYSA-N	319.277	1.159	50	20	DDGD	
CCC(Cc1ccc(C)cc1)=NNC(=O)[C@H]1CCS(=O)(=O)C1	731926296	VXTIHZJXPZCTRB-AWEZNQCLSA-N	322.430	1.854	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)c1	913823738	PVXZCNBOABZHDP-FPMFFAJLSA-N	313.382	1.211	50	20	DDGD	
COc1cccc([C@@H]2C[C@H]2NC(=O)NNC(=O)c2ccc[nH]2)c1	838699218	VNCDHMGFLVOUOA-GXTWGEPZSA-N	314.345	1.523	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1occc1Br	735226925	GBOOETLPBJXPJE-UHFFFAOYSA-N	314.139	1.115	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1cccc2c1OCO2	836501060	FFDLIWCUAWKJBO-NSHDSACASA-N	307.306	1.137	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)NCc1nc(N(C)C)no1	838587148	YBLUHYDBLUIUSB-UHFFFAOYSA-N	324.772	1.924	50	20	DDGD	
COc1ccc(NNC(=O)C[C@@H]2CCC(=O)N2C)c([N+](=O)[O-])c1	830499546	YGJFZAZLIWJLMW-VIFPVBQESA-N	322.321	1.057	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCC(=O)c1c(F)cccc1F	910140292	ZGMDVJPMNBSFIH-SECBINFHSA-N	300.305	1.272	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@H](O)c1ccccc1)c1ccccc1	746239745	QMIJQOKDMFBZDM-OAHLLOKOSA-N	312.369	1.845	50	20	DDGD	
CCNc1ncc(C(=O)NNC(=O)c2ccccc2C)s1	748011478	DHOLEWZWXYDIIX-UHFFFAOYSA-N	304.375	1.958	50	20	DDGD	
CC(C)O[C@H]1CCCN(CC(=O)NNC(=O)c2ccccc2)C1	844380593	XPEFOKVMOQIVDT-HNNXBMFYSA-N	319.405	1.337	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	749867864	NKRCRMOEJNOKNQ-NSHDSACASA-N	317.320	1.758	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cn3ccc(C)cc3n2)n1	746631443	ZVWPHGOWHDVYAR-UHFFFAOYSA-N	312.333	1.507	50	20	DDGD	
COCC1(CC(=O)NNc2cccc(C(=O)OC)c2F)CC1	843901229	IISJKBJYLCDAGL-UHFFFAOYSA-N	310.325	1.872	50	20	DDGD	
CO[C@](C)(C1CC1)[C@@H](C)NC(=O)NNc1nc2ccccn2n1	840422946	FYNKEPKYMGPKIP-BMIGLBTASA-N	318.381	1.559	50	20	DDGD	
C[C@@H]1C[C@H]1CNC(=O)NNc1ncc(Br)cn1	847288678	LZUGWXJPQWXFMS-RQJHMYQMSA-N	300.160	1.521	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCCCC(=O)O)cc1F	840992540	BNPJCZAUJXTPMS-UHFFFAOYSA-N	313.285	1.103	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cnn(C)c2CC)cc1	915619682	IEXBUCKSUUQNLQ-UHFFFAOYSA-N	300.362	1.620	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1ccccc1Cl	916363298	TVEVVGCCGHFNRJ-GFCCVEGCSA-N	309.797	1.758	50	20	DDGD	
O=C(NCc1cccc2c1OCO2)NNc1cncc(Cl)n1	919656336	TZIXSPFIPSJKTD-UHFFFAOYSA-N	321.724	1.685	50	20	DDGD	
COC(=O)[C@@H]1CN(/C(=C\C#N)c2ccc(F)cc2)C[C@H](C)O1	844420524	YVOJBIJRWVFDQF-HJXPGBMCSA-N	304.321	1.952	50	20	DDGD	
C/C(=C/c1ccc(Br)o1)C(=O)NN(C)C[C@H](C)O	910181986	GBCAKQTTWRTFJN-XZLDQRQTSA-N	317.183	1.789	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@H]2CCC(=O)C2)cc1	843879359	CLYQNYVRQVWKBA-JTQLQIEISA-N	304.350	1.275	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ccc(-c3ccccc3)nn2)o1	747591068	RYRNLMWUJNEEHV-UHFFFAOYSA-N	323.312	1.592	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCc1nc2ccccc2o1	843643639	CUEGUSZYQDRYNG-GHMZBOCLSA-N	317.345	1.333	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1CC(=O)NNC(=O)c1c[nH]c2ccccc12	746101234	STKDNLGVOMUPKZ-TXEJJXNPSA-N	314.389	1.802	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1CCc2nnnn2CC1	846088879	UOISGGAPBGXPIU-CYBMUJFWSA-N	314.393	1.640	50	20	DDGD	
COCC1CCC(NC(=O)NNC(=O)c2ccccc2F)CC1	840442658	HLLLXLOJPRFLMI-UHFFFAOYSA-N	323.368	1.975	50	20	DDGD	
O=C(Cc1ccncc1)NN=c1c(=O)c2cccc3cccc1c32	747641168	YFVOKFRUFFOSPL-UHFFFAOYSA-N	315.332	1.798	50	20	DDGD	
CCC(CC)(C(=O)NN(C)C[C@H](C)O)C(=O)OC(C)(C)C	910141240	RAZAWVPKYWODKY-NSHDSACASA-N	302.415	1.478	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccn(-c2cc(F)cc(F)c2)n1	911445199	OUXJNTKFBUNYBN-SECBINFHSA-N	310.304	1.108	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1ccc(O[C@H]2CCOC2)cc1	849177443	MCUTWKWQCFFPPT-DKGMDFAASA-N	316.357	1.524	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccc(O)cc2)cc(OC)c1O	916265291	FWDAVOGHNIYVQG-UHFFFAOYSA-N	316.313	1.879	50	20	DDGD	
CC(C)CNC(=S)NNC(=O)Cn1cnc2ccccc21	916120287	LARWNVYDJDJHNP-UHFFFAOYSA-N	305.407	1.188	50	20	DDGD	
NC1CCC(NC(=O)NNC(=O)CCOc2ccccc2)CC1	841944787	HFUQDDUDXFCIEA-UHFFFAOYSA-N	320.393	1.056	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1cc(C(=O)O)ccc1O	842555860	RMOINEVIRPPKAP-GXSJLCMTSA-N	306.318	1.356	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)CC1(O)CCCCC1	746096077	ORAAQOWXLLZXLH-UHFFFAOYSA-N	324.352	1.437	50	20	DDGD	
CC1=C(C(=O)NNc2ccc(F)cc2)[C@H](C)n2nnnc2N1C	847315659	PCZAOOWGJPCFPB-VIFPVBQESA-N	317.328	1.240	50	20	DDGD	
NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1ccccc1OC(F)(F)F	847767659	NVXXNPDKCKVURN-YUMQZZPRSA-N	317.267	1.540	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cccc(C(C)=O)c2)n1	748821793	MEBVTTQZGFPAGF-UHFFFAOYSA-N	301.306	1.836	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(NC(N)=O)cc2)n1	746623218	GMXIKIMRZNUDFP-UHFFFAOYSA-N	316.321	1.041	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H](C)c1cnn(C)c1)c1ccccc1	749991522	XTGCZHSTXGXDAA-SWLSCSKDSA-N	314.389	1.865	50	20	DDGD	
Cc1ccn(C[C@](C)(O)C(=O)N(C)CC(Cl)Cl)c(=O)c1	848084834	XPZKQUMADCLFIZ-ZDUSSCGKSA-N	321.204	1.170	50	20	DDGD	
CCCCNC(=O)NN=Cc1cc(OC)c(O)cc1[N+](=O)[O-]	920750687	IWNSYNLNYQIOII-UHFFFAOYSA-N	310.310	1.742	50	20	DDGD	
CC(C)(C)OC(=O)C1(C(=O)NNc2ncncc2F)CC=CC1	854609527	PSSIONGDUMFWKQ-UHFFFAOYSA-N	322.340	1.737	50	20	DDGD	
CC(=NNC(=O)c1cc[nH]n1)[C@@H]1CCCN1C(=O)OC(C)(C)C	853391268	FZMRNAVQVYITCZ-LBPRGKRZSA-N	321.381	1.915	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2CC(=O)N(C(C)C)C2)cc1F	853770083	CKCCAIQBYWZUQC-GFCCVEGCSA-N	308.357	1.770	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)cc1F	853972284	WVEIXOJZUGRYSF-LLVKDONJSA-N	320.368	1.771	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCCC(=O)N1CCOCC1	853278757	ILECZIOMDJWUMO-UHFFFAOYSA-N	324.356	1.009	50	20	DDGD	
Cc1nn(C)cc1C=NNC(=O)[C@H]1COc2ccccc2O1	755483907	JWTJLDCMEODCCM-CQSZACIVSA-N	300.318	1.019	50	20	DDGD	
O=C(NNC(=O)c1ccnn1CC(F)F)OCC(F)(F)F	856020421	GUGZQRCACHGGGT-UHFFFAOYSA-N	316.186	1.082	50	20	DDGD	
CCn1cc(S(=O)(=O)NC[C@]2(C)C[C@H]2Br)cn1	856756190	LEYRNXRPHOVXDH-ZJUUUORDSA-N	322.228	1.355	50	20	DDGD	
C[C@H](O)[C@@H]1CCCN(C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	856955190	WFXIKPBRYWOCEJ-SRRSOLGSSA-N	319.243	1.962	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@]2(C)C[C@H]2Br)cn1	857734629	UPQDAGFUHMPIRO-OBUZQMMYSA-N	323.194	1.617	50	20	DDGD	
C[C@@H]1CCOCCN1C(=O)NC[C@@]1(C)C[C@H]1Br	856903281	NJVPGDSFZYVOEC-CKYFFXLPSA-N	305.216	1.980	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnn(CC)c1-c1ccccc1	756813732	VVGHEQYSTOALFP-UHFFFAOYSA-N	301.350	1.534	50	20	DDGD	
O=C(NNS(=O)(=O)c1cccc(F)c1F)NC1CCCC1	751272838	RSLOIOJVOVEDNO-UHFFFAOYSA-N	319.333	1.400	50	20	DDGD	
CCc1c(C(=O)NNc2cccc(C(=O)OC)c2C)cnn1C	855627399	MQBOAOVSKMHNFN-UHFFFAOYSA-N	316.361	1.834	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NNc1ccc(Cl)cn1	852235236	WZHHXLOUCKRODU-NXEZZACHSA-N	311.773	1.276	50	20	DDGD	
CCC[C@@H](O)CC(=O)NNC(=O)Cc1c[nH]c2ccccc12	750069646	YEKHXHLWUCPBAA-GFCCVEGCSA-N	303.362	1.409	50	20	DDGD	
Cc1ccc([C@@H](C)NC(=O)NNC(=O)C(C)C)cc1[N+](=O)[O-]	752023375	ITOSLLCQFUCERP-SNVBAGLBSA-N	308.338	1.951	50	20	DDGD	
CCCC[C@H](C(=O)O[C@H](C)C(=O)NNC(=O)CC)C(C)C	856977995	YRAGIYHLSONCDA-NEPJUHHUSA-N	300.399	1.938	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NN(C)C(=S)NC)cc1	854926574	DIPCVGSCRNBQTK-XFXZXTDPSA-N	318.402	1.460	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)[C@@H](C)O1	853377977	MKYLAASDTJVRFW-RTWAVKEYSA-N	320.393	1.557	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc2nsnc2c1)C1CC1	855097926	AJNNHSBZUSPMEP-ZETCQYMHSA-N	321.431	1.599	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F	854921428	REGDBZCNPAEFHC-UHFFFAOYSA-N	318.305	1.262	50	20	DDGD	
CCOC(=O)NNC(=O)c1cnn(-c2ccc(Cl)cc2)n1	751538420	JRJFDHHPYKNOLU-UHFFFAOYSA-N	309.713	1.312	50	20	DDGD	
CCC(F)(F)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	854258582	BOOSFHQYNQMAFF-UHFFFAOYSA-N	313.304	1.435	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@@H]2CCC[C@@H]21)c1cccc(F)n1	852709233	PTBQDPJZFVMTGM-JQWIXIFHSA-N	306.341	1.840	50	20	DDGD	
COC(=O)c1cc(F)ccc1S(=O)(=O)N1CC=C(C#N)CC1	759081182	GPLYUQKMNUJWPG-UHFFFAOYSA-N	324.333	1.457	50	20	DDGD	
CN(CC(=O)NNc1nc(-c2ccncc2)no1)C1CCC1	863863842	RYRXKLCTMBEDBM-UHFFFAOYSA-N	302.338	1.059	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)C[C@@H]1CCCC(F)(F)C1	867255556	LQZCPELXUPTHBA-MRVPVSSYSA-N	300.327	1.345	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCc2c(O)ncnc2C1	867090508	XBMVMGCFGMFFGG-UHFFFAOYSA-N	319.814	1.135	50	20	DDGD	
CCC(CC)[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccccn1	761499559	WFOKWXKBTIRGQI-JTQLQIEISA-N	306.366	1.240	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@@H]1Cc2ccccc2O1	863091074	MJFRHXNWQFZFFN-VIFPVBQESA-N	310.222	1.809	50	20	DDGD	
O=C(CCc1nnc(C2CCCC2)o1)NNc1cnccn1	761568070	KEVUXZPGRCVGPU-UHFFFAOYSA-N	302.338	1.593	50	20	DDGD	
CCCn1cc(C(=O)NNc2ccc(OC)cc2[N+](=O)[O-])nn1	766565987	YQWFYYPQRIKSKJ-UHFFFAOYSA-N	320.309	1.362	50	20	DDGD	
CC(C)(C)OC(=O)NC[C@@H]1CCCC1=NNC(=O)c1cn[nH]c1	863154316	AOSSMNQORSVWQZ-JTQLQIEISA-N	321.381	1.820	50	20	DDGD	
CCNC(=O)N(C)N=Cc1ccc(OCC(=O)O)c(OC)c1	769594770	XVTBMJCTSNHEGN-UHFFFAOYSA-N	309.322	1.154	50	20	DDGD	
CCCCCCO[C@H](C)C(=O)NNC(=O)Cc1cc(C)[nH]n1	869017775	RZGKGDURNUTPFW-GFCCVEGCSA-N	310.398	1.393	50	20	DDGD	
C[C@H](NNC(=O)c1cccc2c1O[C@H](C)C(=O)N2)C(F)(F)F	862312126	FJWXQNPCNFBDCN-RQJHMYQMSA-N	317.267	1.591	50	20	DDGD	
Cc1ccc([C@H](O)CNS(=O)(=O)CC(C)(C)CCl)o1	866865965	YURYKSOUVBUJLJ-SNVBAGLBSA-N	309.815	1.806	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc[nH]1	862508630	UUOPIACXLBVTNF-OAHLLOKOSA-N	324.384	1.304	50	20	DDGD	
C/C(C=NNC(=O)[C@H]1CCC(=O)N1)=C/c1cccc([N+](=O)[O-])c1	863153110	MUQHKCFHXUPJNV-ZHQUYGBLSA-N	316.317	1.379	50	20	DDGD	
CCCC1(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1	760301677	QHFWFPWDJMMJSK-UHFFFAOYSA-N	314.349	1.004	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccccc1CC(F)(F)F	763438364	SJGGXGJIEVQVGP-UHFFFAOYSA-N	317.267	1.287	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)n[nH]1	869013197	QDORLEYZMXUKMY-ZIAGYGMSSA-N	316.336	1.351	50	20	DDGD	
O=C(Cc1csc2nccn12)NNC(=O)c1ccccc1F	764513172	GXFCKJUNHJHRJN-UHFFFAOYSA-N	318.333	1.539	50	20	DDGD	
CC(C)n1cc2c(n1)[C@@H](NC(=O)NNc1ncccn1)CCC2	765923209	LCDKLPDIYISLTH-LBPRGKRZSA-N	315.381	1.958	50	20	DDGD	
O=C(NNc1cncc(Br)c1)[C@H]1CCCCO1	1116395285	IHTOFRRIJRSGFM-SNVBAGLBSA-N	300.156	1.856	50	20	DDGD	
CC(C)NC(=O)NNC(=O)Cn1nc(C(F)F)cc1C1CC1	874247137	NNSKTSTVEHFLBG-UHFFFAOYSA-N	315.324	1.437	50	20	DDGD	
Cc1nnc(NNC(=O)c2sccc2-n2cccc2)nc1O	875875398	NAPPEPPJNMUPGF-UHFFFAOYSA-N	316.346	1.495	50	20	DDGD	
O=C(NNc1ncc(Cl)cc1Cl)[C@@H](O)c1cccnc1	775273031	CJMKBUVRVRFXAF-JTQLQIEISA-N	313.144	1.960	50	20	DDGD	
CSC1(CNC(=O)NN=c2cc[nH]c(C)c2)CCN(C)CC1	875596330	KVBAWKBLYJKVFQ-UHFFFAOYSA-N	323.466	1.265	50	20	DDGD	
Cc1ncc(C(=O)NNc2ncc(Cl)cc2Cl)c(N)n1	776264878	UQYZNABZKVUVMM-UHFFFAOYSA-N	313.148	1.826	50	20	DDGD	
Cc1cc(=NNC(=O)NC2CC(C)(C)NC(C)(C)C2)cc[nH]1	874980582	NCJVUKKKYGBWFP-UHFFFAOYSA-N	305.426	1.747	50	20	DDGD	
C=C(CN(C)C)C(=O)NNC(=S)Nc1c(C)cccc1CC	873854095	RNFBGNGQPASWOU-UHFFFAOYSA-N	320.462	1.993	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cccc(C#N)c1C	1116925723	BBDXHSPHWIZPIF-UHFFFAOYSA-N	309.325	1.950	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@H](O)c1ccc(C(F)(F)F)cc1	874249571	WPHRPCXTQHOFKM-SECBINFHSA-N	305.256	1.041	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(C)ccc1[N+](=O)[O-]	772160447	PCSLXGQNVUKIOH-VIFPVBQESA-N	323.305	1.006	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)C2(C)CC(F)(F)C2)n1	873803653	OKTBLSADSMCLKH-UHFFFAOYSA-N	300.309	1.083	50	20	DDGD	
N#CCc1ccccc1CC(=O)NNC(=O)NCC(F)(F)F	776972055	JOEIIYSIKWEFCB-UHFFFAOYSA-N	314.267	1.188	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@]1(C)CCCO	776598568	QZQMAJUYKRJRSA-CZUORRHYSA-N	313.442	1.195	50	20	DDGD	
N#Cc1cccc(NNC(=O)CNC(=O)c2cccc(O)c2)c1	779008416	QHAHORSBOWPMNJ-UHFFFAOYSA-N	310.313	1.137	50	20	DDGD	
CC(C)(C)[C@@H](N)CC(=O)NNc1ncc(Br)cn1	1122053282	ARDNKHHXIJJFNZ-QMMMGPOBSA-N	316.203	1.446	50	20	DDGD	
CC(C)Oc1ccc([C@@H](C)NCC(=O)NNC(=O)C2CC2)cc1	774899115	FJUBMTKBXAGNNM-GFCCVEGCSA-N	319.405	1.682	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNC(=O)c2ccc(C)c(O)c2)n1	882051625	MMJABOXTLBKZRF-NSHDSACASA-N	316.361	1.303	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCC(=NNC(=O)NCc2ccco2)C1	788425982	MCCBGXGLZLMQPV-LBPRGKRZSA-N	313.379	1.422	50	20	DDGD	
O=S(=O)(CCCCl)N1CCC([C@H](O)c2ncc[nH]2)CC1	882139936	GAQMMSSXJLQKDI-NSHDSACASA-N	321.830	1.114	50	20	DDGD	
C=C(CBr)n1cc(CN2CCSCC2)nn1	881316766	UYTUTSVMPWOBJC-UHFFFAOYSA-N	303.229	1.693	50	20	DDGD	
O=S(=O)(CCCCl)N1CCC[C@@H](N2CCCC2)CC1	881913096	YWJCAPFVJPJVGW-CYBMUJFWSA-N	308.875	1.895	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)NNc2ccc(-n3cccn3)nn2)C1	780799577	HZDLPUNDTPISEW-MNOVXSKESA-N	301.354	1.477	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)n1cc(C2CCCCCC2)nn1	881293343	NHWOSBTXENEOGL-NSHDSACASA-N	307.398	1.834	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CO[C@H](C)C2)c1	784154450	SMXNRUVCXRZPNK-PWSUYJOCSA-N	303.387	1.411	50	20	DDGD	
CC(C)S(=O)(=O)CC(=O)NNc1ccc(F)cc1Cl	885135906	OJUIYIGOZJTGEL-UHFFFAOYSA-N	308.762	1.745	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@@H](F)C(C)C	784526715	XXTWDNYBVAUXAK-NSHDSACASA-N	318.370	1.536	50	20	DDGD	
CS(=O)(=O)c1cc(C(=O)N2CC=C(C#N)CC2)ccc1F	786501947	WAKDZRBQDDLBGA-UHFFFAOYSA-N	308.334	1.525	50	20	DDGD	
O=C(NNC(=O)c1c[nH]nc1-c1ccoc1)c1ccccc1F	789866846	HEWKYVKKERCLAS-UHFFFAOYSA-N	314.276	1.884	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1cccc2c1OCCO2	899094983	CAZXVMIFGCEFCZ-UHFFFAOYSA-N	307.350	1.334	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)[C@H](O)C1CCCCC1	783621535	IBHYXDUATMJRQB-GFCCVEGCSA-N	317.349	1.516	50	20	DDGD	
CCS(=O)(=O)CCN(C)C(=O)NCCSSC	790880129	HRQGFALEVJYYLD-UHFFFAOYSA-N	300.471	1.074	50	20	DDGD	
COCCO[C@H]1CCCN(C(=O)NCCSSC)C1	790878044	GOPCIJFULMAAAB-NSHDSACASA-N	308.469	1.835	50	20	DDGD	
Cc1cc(NNC(=O)Cc2ccc([S@@](C)=O)cc2)ncn1	798111060	WBNYNYARHYMGOZ-OAQYLSRUSA-N	304.375	1.208	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NC[C@@H](CO)[C@H]1CCOC1	797761830	HGLQVLXLWZYZMF-GARJFASQSA-N	322.243	1.557	50	20	DDGD	
Cc1cnn(C)c1C=NNC(=O)c1cc(-c2ccccc2)[nH]n1	794860310	PLEHCJZIMTXJJS-UHFFFAOYSA-N	308.345	1.883	50	20	DDGD	
C[C@H]1CSCC1=NNC(=O)c1cccc(S(C)(=O)=O)c1	794896927	MZZUGCBDFIZZCX-VIFPVBQESA-N	312.416	1.559	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1ccnc(F)c1	794859816	DCELWPFCSZVWGG-AWEZNQCLSA-N	315.304	1.901	50	20	DDGD	
CC(=NNC(=O)Cc1cccnc1)c1cccc(N2CCC2=O)c1	794905556	UZHYEDLUZCJCHI-UHFFFAOYSA-N	322.368	1.901	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2ccnc(Cl)c2)n1	797639002	BVBCUZZAYFLFOH-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
COc1ccccc1CNC(=O)NNc1nncc(N)c1Cl	1319199019	LZNAWIBTQLXXBD-UHFFFAOYSA-N	322.756	1.547	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)c2n[nH]c3c2CCCC3)cc1	1317760779	RVLNLQMYVBLVGF-UHFFFAOYSA-N	312.329	1.751	50	20	DDGD	
N#Cc1ccc2c(c1)N(C(=O)C(=O)NNc1cccc(F)c1)CC2	1320551146	JOPLNTZOVDSFPM-UHFFFAOYSA-N	324.315	1.730	50	20	DDGD	
CC(=NNC(=O)CCN1CCC(C)CC1)c1cc(C)nn1C	1322198584	VXBDGTYUYJPRNY-UHFFFAOYSA-N	305.426	1.691	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2CCS[C@H]2C)cc1	1326312849	IBMYHZORNDMPRD-JOYOIKCWSA-N	309.391	1.533	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnc(C3CC3)[nH]2)c(O)c1	1338468226	LSLRTSPNTYXPNV-UHFFFAOYSA-N	300.318	1.376	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccc([S@](C)=O)cc2)n1	1330961820	AXAWBVHLUBAFFM-QFIPXVFZSA-N	318.402	1.388	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@H]([C@@H]2CCCCO2)C1)c1cn[nH]c1	1331536898	MIHUWANUDGLDIJ-AAEUAGOBSA-N	321.381	1.045	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCc1nc(-c2ccccc2)no1	1332629659	WZVFUUGQAJMGRZ-LLVKDONJSA-N	304.350	1.013	50	20	DDGD	
COc1cccc([C@@H]2CCCN2CC(=O)NNC(=O)C(C)C)c1	1330578621	YAKGBLUZOUFXGS-HNNXBMFYSA-N	319.405	1.636	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCN2C(C)(C)C)c1	1331611443	ZVNDGGUMLCUOJO-CYBMUJFWSA-N	305.378	1.789	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)Nc1ccc(Cl)cc1F	1261369558	DRMDHBLIJUZWEV-UHFFFAOYSA-N	314.748	1.631	50	20	DDGD	
Cn1ccc(NNC(=O)[C@H]2CCN(c3ccccc3F)C2)n1	1345198427	RQJYHYIBRNPPAT-NSHDSACASA-N	303.341	1.529	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)[C@H]1CN2CCN1C[C@@H]2C	1347387522	AREHZEJFZFDKIN-SMDDNHRTSA-N	308.813	1.480	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@H]2C[C@H]2F)ccc1OC(C)C	1346233067	ADYFOARWPMUSLI-WDEREUQCSA-N	310.325	1.601	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	1262789716	PBDCMRFUHBXBDU-KIKITERTSA-N	304.184	1.475	50	20	DDGD	
CC(C)c1ccc(NNC(=O)[C@@H]2CN3CCN2C[C@@H]3C)cc1	1263839469	BRXRVFYSBDKZIT-BBRMVZONSA-N	302.422	1.641	50	20	DDGD	
CC(C)c1oncc1C(=O)NNC(=O)Cc1ccccc1F	1346471740	TWADIXMXQFEDLJ-UHFFFAOYSA-N	305.309	1.941	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@@H]1CCCCCN1	1353512565	CULZUAXZBXECGK-ZDUSSCGKSA-N	304.394	1.471	50	20	DDGD	
C[C@H](NC(=O)C1CCC(Cl)CC1)[C@H]1CN(C)CCN1C	1519587349	OWSVNQHKHZKVBF-GFJIZPEISA-N	301.862	1.535	50	20	DDGD	
Cc1cc(C=NNC(=O)c2ccnc(N(C)C)c2)oc1C(=O)O	1600185812	VLNOGFLWJDISMU-UHFFFAOYSA-N	316.317	1.511	50	20	DDGD	
O=C(CCCNC(=O)C1CC1)NNc1ccc(F)c(C(=O)O)c1	1608304270	IRQPMKAFGWLNHZ-UHFFFAOYSA-N	323.324	1.273	50	20	DDGD	
O=C(O)CSCCC(=O)NNc1cccc(F)c1[N+](=O)[O-]	1602098520	CGUBMCQCUANFDI-UHFFFAOYSA-N	317.298	1.385	50	20	DDGD	
CCC[C@@H](C=NNC(=O)c1cccc(-c2nn[nH]n2)c1)OC	1604137153	KQSQLUTYRJONMQ-LBPRGKRZSA-N	302.338	1.397	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C(=O)Nc1ccsc1C(=O)O	1601561344	BOZSRUXRVNDECO-UHFFFAOYSA-N	324.293	1.062	50	20	DDGD	
O=C(O)CNC(=O)NNC(=S)Nc1ccc2ccccc2c1	1602072043	LGLHPMPABURHTA-UHFFFAOYSA-N	318.358	1.425	50	20	DDGD	
Cc1cc(C=NNC(=O)Cc2ccccn2)ccc1-c1nn[nH]n1	1605652033	CAMJTSLTYZXTIP-UHFFFAOYSA-N	321.344	1.263	50	20	DDGD	
CC1(C)OC[C@H](/C=C\C(=O)NNc2ccccc2C(=O)O)O1	1604561844	MDFDHKMFDVRQGO-DMEOUFDRSA-N	306.318	1.536	50	20	DDGD	
O=C(O)Cc1ccc(CNS(=O)(=O)CCCCl)cc1	1602122256	PTQPYTXRDAFXTJ-UHFFFAOYSA-N	305.783	1.362	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	1607140450	SXZMLGQJBCLJHL-GDPRMGEGSA-N	318.329	1.452	50	20	DDGD	
O=C(O)CCCC(=O)NNC(=S)NCCc1cccs1	1606136790	CGHCBYPYCGHLQO-UHFFFAOYSA-N	315.420	1.041	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C23CC(C(=O)O)(C2)C3)cc1F	1610484757	FDFPABDJNUCWSN-UHFFFAOYSA-N	306.293	1.150	50	20	DDGD	
O=C(O)CCCCC(=O)NNc1ccc(C(F)(F)F)nn1	1610767124	UWGYVQAQMVZYSW-UHFFFAOYSA-N	306.244	1.584	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)C12CCC(C(=O)O)(CC1)CC2	1610692163	KJSFEDIHYMCMJD-UHFFFAOYSA-N	309.366	1.152	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)NN=C[C@H]1CCCOC1	1549314077	HJMWFAOQTMIVKK-VNHYZAJKSA-N	320.393	1.416	50	20	DDGD	
C[C@@H]1[C@](F)(Cl)[C@]1(C)C=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1550354270	DDAUQSWMHGIXNQ-APLVYKGISA-N	317.792	1.512	50	20	DDGD	
CC1(C)CN[C@@H]1C1CCN(S(=O)(=O)CCCCl)CC1	1576469631	QRTUIQNQBNLNJZ-GFCCVEGCSA-N	308.875	1.655	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@@H](N)C1CCC1	1579155998	YALMTNNSWKEICW-LBPRGKRZSA-N	311.769	1.237	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H]2C[C@H]3CN[C@@H](C3)C2)cc(C#N)n1C	1579529359	DYNWLRZXPSVGEZ-QRTCKHPUSA-N	323.400	1.369	50	20	DDGD	
CC(C)(C)OC(=O)CCCC(=O)NNc1ccc(C(=O)O)cn1	1589873924	WDLHOWBZTVRQPK-UHFFFAOYSA-N	323.349	1.735	50	20	DDGD	
C[C@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cn1)c1ccccc1	1589793183	OWMCVPGQBZGRKT-LLVKDONJSA-N	323.360	1.899	50	20	DDGD	
O=C(NNc1ncccc1C(F)(F)F)C1=CCCNCC1	1580742709	DGQIMTWZFVJYDG-UHFFFAOYSA-N	300.284	1.853	50	20	DDGD	
CSSCCNC(=O)c1ccc(F)c(-c2nn[nH]n2)c1	1591702216	ZFKJDDAYPORQDA-UHFFFAOYSA-N	313.383	1.747	50	20	DDGD	
COc1ccc(CNC[C@@H]2[C@H](C)[C@H]2Cl)cc1-c1nn[nH]n1	1591598504	VPLXNIUEXHCMKU-RLCGTCKNSA-N	307.785	1.838	50	20	DDGD	
COc1cc(C(=O)NCCCSC#N)ccc1-c1nn[nH]n1	1591514117	AAZIAMKJUCFTRP-UHFFFAOYSA-N	318.362	1.209	50	20	DDGD	
COc1cccc([C@@H](NNC(=O)c2cc(C)oc2C)C(=O)O)c1	1599659533	LTDWYNRFMNYAPS-CQSZACIVSA-N	318.329	1.965	50	20	DDGD	
COc1cc(CO)ccc1C(=O)NNc1ncccc1C(=O)O	1594059123	UKADPRRMIGHILO-UHFFFAOYSA-N	317.301	1.038	50	20	DDGD	
C/C=C/C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](Cl)CC)C2)C1	1781219501	NXUJMFOMIVQVSI-VAIBOMDZSA-N	314.813	1.410	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1ccc2c(c1)OCCO2	5172003	SXCIKEKGEAAHTG-UHFFFAOYSA-N	314.297	1.238	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2[nH]c1=O)c1ccccc1	12615854	NYNQEIOAPSGMAS-UHFFFAOYSA-N	307.309	1.603	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)CCCN2C(=O)CN(C)C2=O)c1	150796407	KVHTYYJEHUHHJO-UHFFFAOYSA-N	322.340	1.251	50	20	DDGD	
COc1ccnc(NNC(=O)Cc2cccc([N+](=O)[O-])c2C)n1	161245336	SCPHPIQXAGBDQR-UHFFFAOYSA-N	317.305	1.388	50	20	DDGD	
CC(C)NC(=O)c1ccc(C(=O)NNC(=O)NCC2CC2)cc1	162815417	IKVCNEDYFUHKBS-UHFFFAOYSA-N	318.377	1.179	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNc1ccc(C(C)(C)C)nn1	153950541	IOTRSSNTNXFTQI-UHFFFAOYSA-N	302.382	1.881	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1cn2cccnc2n1	154152761	VXQJKBGDSYBFRW-UHFFFAOYSA-N	309.329	1.123	50	20	DDGD	
O=S(=O)(CCCCCl)NC[C@@]1(O)CCc2ccccc21	154817334	WZTFVBNRQRXWTD-AWEZNQCLSA-N	317.838	1.759	50	20	DDGD	
C#CCSCCNC(=O)NNC(=O)[C@H](CC)c1ccccc1	154837005	YZXKXYOLSLBQSG-CQSZACIVSA-N	319.430	1.877	50	20	DDGD	
CCC[C@@H](N)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	159850770	LYIWPWOXSUHORG-SNVBAGLBSA-N	309.757	1.961	50	20	DDGD	
C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(CCCl)cc2)CO1	402342054	WNYXCGSIQYNEJD-ZYHUDNBSSA-N	303.811	1.924	50	20	DDGD	
CC(C)(CCNS(=O)(=O)CCl)NC(=O)OC(C)(C)C	882648905	QWOWVBONYOEHQC-UHFFFAOYSA-N	314.835	1.796	50	20	DDGD	
N#Cc1ncn(CC(=O)NNc2ccc(Cl)cc2Cl)n1	178880106	BUGUJGTXSUENPF-UHFFFAOYSA-N	311.132	1.600	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)Cc1ccc(Cl)cc1)N(C)C	106455275	YBCODNFIJXQMGN-AWEZNQCLSA-N	311.813	1.616	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNC(=O)c1ccc2ccccc2n1	178414509	IORGUVFYKDZMFN-MRXNPFEDSA-N	301.346	1.547	50	20	DDGD	
C=C(C)CN1CCC(NC(=O)NNC(=O)CC(C)(C)C)CC1	106274995	UMODALVLXDAWJV-UHFFFAOYSA-N	310.442	1.794	50	20	DDGD	
O=C(CN[C@@H](c1ccccc1)C1CCC1)NNC(=O)C1CC1	112980115	LQWQVBQUSAIRHN-INIZCTEOSA-N	301.390	1.675	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	103060309	HYZCGTVMRJMWFL-UHFFFAOYSA-N	315.351	1.341	50	20	DDGD	
COc1cccc(CCCNC(=O)NNc2ncccn2)c1	67423348	YOSYXGLYWALKDL-UHFFFAOYSA-N	301.350	1.744	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc(C#N)c[nH]1	175105087	JIABQWKZMFFYEJ-VIFPVBQESA-N	316.292	1.254	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@H]2CCc3ccccc32)n1	111880300	UCUKAMLMXSYQRR-LBPRGKRZSA-N	313.361	1.841	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C1[C@@H]2CCC[C@@H]12	178096617	YGBOAGKCDWAYOD-GHMZBOCLSA-N	303.362	1.301	50	20	DDGD	
O=C1C[C@@H](C(=O)NNC(=O)NC2CCCC2)c2ccccc2N1	65920079	XFWDYKNMMGZGKJ-GFCCVEGCSA-N	316.361	1.385	50	20	DDGD	
O=C(Cc1cc(F)ccc1F)NNC(=O)NCc1ccco1	173838804	SZMFTXFBLYTVIL-UHFFFAOYSA-N	309.272	1.631	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)Cc1ccc(OCC#N)cc1	111665548	XSPNOPVXZZNDBX-UHFFFAOYSA-N	320.418	1.425	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](CCO)c1ccc(OC)cc1	179105700	VOBSQJLMCDDGHE-HFBDAHEESA-N	304.346	1.679	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccc(N2CCCC2=O)c1	61480189	KKFTXMJEKPMORF-UHFFFAOYSA-N	318.402	1.108	50	20	DDGD	
O=C(NNC(=O)C1CCN(Cc2ccccc2)CC1)NC1CC1	65897887	XQMHJNLJSAYARA-UHFFFAOYSA-N	316.405	1.391	50	20	DDGD	
O=C(NCCNC(=O)C1CC1)NNc1ccc(Cl)c(F)c1	175185635	BRTDLOSLKRZBCM-UHFFFAOYSA-N	314.748	1.631	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Nc1nc(C)cs1	126603985	AMXKJIIJYOJJTP-UHFFFAOYSA-N	320.374	1.856	50	20	DDGD	
O=C(CCCc1nc(C2CC2)no1)NNc1ncc(F)cn1	123405313	KLMMZFAYWURAOZ-UHFFFAOYSA-N	306.301	1.342	50	20	DDGD	
O=C(NNc1nnc(C2CC2)s1)[C@H]1CCCc2[nH]ncc21	184466849	IPQHTAIYUVIRCY-QMMMGPOBSA-N	304.379	1.702	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)nn1	123361392	BJBJXGIBSXXKIH-UHTWSYAYSA-N	303.366	1.369	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNC(=O)c1ccc2ccccc2n1	129275159	QOZJYJCZVKOUGE-LBPRGKRZSA-N	316.361	1.604	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccc[nH]1)c1nc2ccccc2[nH]1	127595366	IHMPUQYEESYVBJ-SECBINFHSA-N	312.333	1.596	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNc2cc(F)c(F)c(F)c2)C1	127134615	LOEZKKMNOWYUPN-MRVPVSSYSA-N	315.295	1.806	50	20	DDGD	
N#CCSCC(=O)NNC(=O)c1cc(-c2ccccc2)on1	32917038	DBXTZDMXTZUAJJ-UHFFFAOYSA-N	316.342	1.359	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C[C@@H]2C=CCC2)nc1C	182719223	IJSKSMLUJRXKIR-LLVKDONJSA-N	304.350	1.761	50	20	DDGD	
NC(=O)COc1cccc(C(=O)NNc2ccc(F)cc2)c1	44697824	IAGLNPSXKNHWMW-UHFFFAOYSA-N	303.293	1.447	50	20	DDGD	
COC[C@H]1CN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C[C@@H](C)O1	194889735	CRJFQIJOQBVOSQ-PQRBTORDSA-N	316.357	1.561	50	20	DDGD	
COc1nccnc1NNC(=O)c1c(C(C)C)nn(C)c1Cl	132037845	NKRKCDSWODUBED-UHFFFAOYSA-N	324.772	1.752	50	20	DDGD	
Cc1cc(-n2c(C)cc(C(=O)NNC(=O)N(C)C)c2C)no1	194923268	VMCBCZYBDDAMEF-UHFFFAOYSA-N	305.338	1.307	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)C(=O)c1ccc2c(c1)CCC2	195146345	OBHGIVQNUNWBCO-UHFFFAOYSA-N	324.336	1.525	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccc(Cl)nc2)ccc1F	132185510	BFAXADFTEVRIOM-UHFFFAOYSA-N	323.711	1.958	50	20	DDGD	
Cc1c(C(=O)NNC(=O)N(C)C)cnn1Cc1ccccc1	194917594	KBOFUODSCRVYDU-UHFFFAOYSA-N	301.350	1.156	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NNC(=O)C(C)(C)O	190056554	QMHFFMXKURBVOS-SSDOTTSWSA-N	318.732	1.165	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccc(C#N)c(C)n2)cc1	193325268	OLZZFBHAFNLLHP-UHFFFAOYSA-N	324.340	1.410	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)c2cccc(F)c2)c(=O)n(C)c1=O	193162464	TYQSWGGLJHECER-IZZDOVSWSA-N	313.288	1.013	50	20	DDGD	
CO[C@@H](C)c1nc(CNC(=O)NNc2cccnn2)cs1	267784998	XAMZZBKGWMDBFA-QMMMGPOBSA-N	308.367	1.467	50	20	DDGD	
NC(=O)N1CCC[C@H]1C(=O)NNc1cc(F)c(F)cc1F	269639433	ZLKRVTDEXBGXCB-JTQLQIEISA-N	302.256	1.090	50	20	DDGD	
COC(=O)c1cc(OC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)ccc1[N+](=O)[O-]	265059229	HOTJRXILZNVTRQ-XTWCZFFVSA-N	321.285	1.854	50	20	DDGD	
COC(=O)c1ccc(C)c(NC(=O)NNC(=O)C2CCC2)c1	264769444	VTTNLKSQHCLNPW-UHFFFAOYSA-N	305.334	1.734	50	20	DDGD	
CS[C@@H](C)CNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	269941382	WDCKJZMYCKNMJH-QMMMGPOBSA-N	312.351	1.290	50	20	DDGD	
O=C(NCc1ccccc1OC(F)F)NNC(=O)C1CCC1	264693196	FEGOTAGRAZWPDB-UHFFFAOYSA-N	313.304	1.919	50	20	DDGD	
CCN(CC)CCNC(=O)NNC(=O)C(C)(C)c1ccccc1	264502908	ISYRRNRUYJBMJD-UHFFFAOYSA-N	320.437	1.636	50	20	DDGD	
Cc1cc(C)c(OCC(=O)NNc2nccn(C)c2=O)c(C)c1	267049664	BLFCCFBNOLMJME-UHFFFAOYSA-N	316.361	1.228	50	20	DDGD	
Cc1c(NNC(=O)NCCCn2cccn2)cccc1[N+](=O)[O-]	263991541	VPVQPMQUYADBAB-UHFFFAOYSA-N	318.337	1.816	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](C)[C@@H]1CCCNC1	269207150	OELBHVQAYNFZQD-GXFFZTMASA-N	312.845	1.857	50	20	DDGD	
CC(C)C(C)(C)C(=O)NNC(=O)CNC(=O)c1cccs1	275895972	SNRUINSRBRMTCF-UHFFFAOYSA-N	311.407	1.308	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCCCCCCO	278465331	BSZGDOGIJWLJPM-UHFFFAOYSA-N	323.393	1.121	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)C1SCCS1	270528944	SYONOENVCWKONF-UHFFFAOYSA-N	309.376	1.381	50	20	DDGD	
O=C1CCC[C@@H](C(=O)NNc2cccc(C(F)(F)F)c2)N1	270568035	UYBYIUDJJHNJTB-JTQLQIEISA-N	301.268	1.817	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(F)cc1C	272286431	ATYXWNYKYWUUBM-JTQLQIEISA-N	313.329	1.338	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1ccc(-n2cccn2)cc1	271361345	NLHTWPNDPVWVNA-UHFFFAOYSA-N	301.350	1.107	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCS1)c1cccc([N+](=O)[O-])c1	272940372	IMRAZPCJEKXUSA-LLVKDONJSA-N	309.347	1.642	50	20	DDGD	
Cc1cc(S(=O)(=O)N2CC=C(C#N)CC2)ccc1[N+](=O)[O-]	272743538	IUYPZCMHSCCFTD-UHFFFAOYSA-N	307.331	1.748	50	20	DDGD	
O=C(CN1CCC2(CC1)CC2)NNC(=O)c1ccc(F)cc1	371341919	SIJMHQOQZUSRKX-UHFFFAOYSA-N	305.353	1.463	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cc(Cl)ccc1OC	278645255	ZQOQPIFYJUGLNJ-MRVPVSSYSA-N	320.798	1.704	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1ccsc1Cl	276288917	ULYDBLPXGHEYFS-UHFFFAOYSA-N	304.759	1.033	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CCOC[C@@H](C)C2)cc(C#N)n1C	371322303	FIZILZULTYGDKD-CJTQKWKHSA-N	312.373	1.607	50	20	DDGD	
C[C@H](CO)CCCNC(=O)NNc1ccc2c(O)nccc2c1	288036094	SMOSCHINHPNBOD-NSHDSACASA-N	318.377	1.975	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H]1CCN(CC(F)(F)F)C1	281075553	AITVVOKSRZBOOS-JTQLQIEISA-N	302.300	1.717	50	20	DDGD	
C[C@](O)(CC(=O)NNc1ccc2c(O)nccc2c1)C1CC1	285779395	SMBYVVDKZGWENP-INIZCTEOSA-N	301.346	1.935	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNC(=O)c1ccc(Cl)nc1	289273196	NTFVFPVJXPXJET-QMMMGPOBSA-N	313.741	1.085	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCCc3nn(C)cc32)o1	374232285	SGIPUJKJPDSHFJ-JTQLQIEISA-N	302.334	1.203	50	20	DDGD	
CN(CCC(=O)NNc1ncccc1F)C(=O)OC(C)(C)C	285797039	AFKYODCXMZYTSF-UHFFFAOYSA-N	312.345	1.921	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2sccc2Cl)CC1	287725007	GJLAJMZTFZFRBH-UHFFFAOYSA-N	302.787	1.003	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@](C)(C#N)CC)cc1OC	285175004	ZEMCKNCSGUUQBH-MRXNPFEDSA-N	319.361	1.795	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)C1(C#N)CCOCC1	280881587	CMLDWHUNMXQJNH-UHFFFAOYSA-N	302.334	1.468	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)N[C@@H](C)C(F)(F)F)c1O	288973396	YQNWCHDKBDDRAQ-LURJTMIESA-N	321.255	1.296	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NNc1ccc(C(F)(F)F)nn1	281123040	IFFIKAPQBZDULD-HTQZYQBOSA-N	316.283	1.944	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2cc(C)n[nH]2)c(C)cc1C	280481356	KMYUSQSONHDSRV-UHFFFAOYSA-N	317.349	1.810	50	20	DDGD	
O=C(NNC(=O)c1cc2c(OC(F)F)cccc2[nH]1)NC1CC1	299249321	QUOBVNSDFXQDDT-UHFFFAOYSA-N	324.287	1.876	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCCCO2)c(C)c1	296684190	ITBUWGWOZPLPFR-LBPRGKRZSA-N	312.391	1.182	50	20	DDGD	
Nc1ncc([N+](=O)[O-])cc1C(=O)NNC(=O)Nc1ccccc1	801985886	MQPCRSKQWRGKHB-UHFFFAOYSA-N	316.277	1.039	50	20	DDGD	
CN1C(=O)c2ccc(C(=O)NNc3cccc(F)n3)cc2C1=O	804763340	IPFIIVRIKMWMIV-UHFFFAOYSA-N	314.276	1.203	50	20	DDGD	
C[C@@]1(CCC(=O)NNC(=O)Nc2ccccc2)CCC(=O)N1	801991531	MXDPJGJLFWXDGH-HNNXBMFYSA-N	304.350	1.288	50	20	DDGD	
CC(C)(C)CC(=O)NN=Cc1ccc(F)c(S(N)(=O)=O)c1	807969079	IZNFIJNZLLFEDZ-UHFFFAOYSA-N	315.370	1.359	50	20	DDGD	
Cn1c(=O)oc2c(C(=O)NNc3cccc(F)n3)cccc21	804766376	GHMBBBFSBFOZFC-UHFFFAOYSA-N	302.265	1.423	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)CNc1cccc(OC)c1	295542986	XNSDKFKBXQQJRH-ZDUSSCGKSA-N	309.366	1.070	50	20	DDGD	
C=CCC(C)(C)C(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C	293377131	CVGWNUYGSDNRPX-JTQLQIEISA-N	313.398	1.649	50	20	DDGD	
COc1ccc(C=NNC(=O)c2c[nH]nc2C)c(C)c1OC	807973196	NHLMJIPEDXIFAD-UHFFFAOYSA-N	302.334	1.808	50	20	DDGD	
CN(C)CCn1nccc1NC(=O)NNC(=O)CC(C)(C)C	297536963	WHOVOCWADVZISQ-UHFFFAOYSA-N	310.402	1.034	50	20	DDGD	
CN(NC(=O)c1ccc(-n2cnnn2)cc1)C(=O)OC(C)(C)C	297810099	WSVAOFVEKATUJV-UHFFFAOYSA-N	318.337	1.174	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2n[nH]c3c2CCCCC3)O1	293944293	POGSNPHKKYXOON-CABZTGNLSA-N	306.366	1.007	50	20	DDGD	
C=C(CBr)CN1C[C@H](C)S(=O)(=O)[C@H](CC)C1	805773228	OTNCNKXENBFESJ-WDEREUQCSA-N	310.257	1.835	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)c1cc2ccccc2o1)C1CC1	296534671	PYTWUDKXYXSXFU-AWEZNQCLSA-N	317.345	1.802	50	20	DDGD	
Cn1ccnc(NNC(=O)c2ccc(C(F)(F)F)s2)c1=O	806998085	QOVFLRIMWJZCRW-UHFFFAOYSA-N	318.280	1.618	50	20	DDGD	
O=C(CCC(=O)NC1CCCC1)NNC(=O)Nc1ccccc1	801985284	ZMAVIWTUOSNKJX-UHFFFAOYSA-N	318.377	1.678	50	20	DDGD	
CC(C)c1cnc(C=NNC(=O)[C@@H](C)CN2CCOCC2)s1	814763215	WCTWZXZJVPYSTO-LBPRGKRZSA-N	324.450	1.685	50	20	DDGD	
CC(Cn1cccn1)=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1	814766424	JHCCIONQAYWMIC-BPLDGKMQSA-N	321.425	1.121	50	20	DDGD	
Cc1cccc(N2C[C@@H](C(=O)NN(C)C3CC3)CC2=O)c1C	819644023	YHOOKIIJBAQGAS-ZDUSSCGKSA-N	301.390	1.782	50	20	DDGD	
Cn1nnc2c1C[C@@H](C(=O)NNc1cccnc1Cl)CC2	810493829	JJWLYMMVCNSUMT-QMMMGPOBSA-N	306.757	1.112	50	20	DDGD	
CCc1csc(-n2cc(C(=O)NNC(=O)CC3CC3)cn2)n1	819136068	KTHZEHWKPWIUIM-UHFFFAOYSA-N	319.390	1.452	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cccc(-c2ncco2)c1C	815562610	JPNDDVTXICJWMS-UHFFFAOYSA-N	316.317	1.146	50	20	DDGD	
Cc1nn(C)c(N)c1C=NNC(=O)[C@@H](C)Oc1ccccc1F	814747649	YVERQFGCRSVCBC-SNVBAGLBSA-N	319.340	1.367	50	20	DDGD	
CCCc1[nH]ccc1C(=O)NNC(=O)COCc1ccccc1	817537225	BZRCVTFUTMNGOD-UHFFFAOYSA-N	315.373	1.945	50	20	DDGD	
COc1cccc(-c2n[nH]cc2C=NNC(=O)Cc2cc[nH]n2)c1	814954770	MOOSOXGIYPYYJN-UHFFFAOYSA-N	324.344	1.501	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cccn1C)c1cccs1	726448056	CQHPUHIOAYLCBR-VIFPVBQESA-N	308.432	1.957	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cnn(-c2ccccc2)c1)C(C)(F)F	815600449	TZWUFWSCKNQRLH-JTQLQIEISA-N	322.315	1.925	50	20	DDGD	
CN(NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(N)=O	815900500	FUNLVINUHXCCDE-UHFFFAOYSA-N	306.200	1.269	50	20	DDGD	
Cc1ccc(C(=O)NCCC(=O)NCCCSC#N)c(O)c1	819698957	QLIPVEGESBPSHH-UHFFFAOYSA-N	321.402	1.541	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cccc(C#N)c1)c1cccnc1	729043772	YFBOEMMVQRSUDJ-NSHDSACASA-N	309.329	1.658	50	20	DDGD	
C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CCC2(CCCC2)CC1	811641472	DQMFYTISWIOUDJ-LLVKDONJSA-N	315.439	1.531	50	20	DDGD	
CSCc1cccnc1C(=O)NNC(=O)CC(F)(F)F	810178928	BEDUPONUDOBETN-UHFFFAOYSA-N	307.297	1.658	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)CNc1ccc(OC)cc1	812456073	NTVGESWNGZWYHH-NEPJUHHUSA-N	323.393	1.173	50	20	DDGD	
CCN(CCO)NC(=O)Cn1nc(C(F)F)cc1C1CC1	823828604	DJEMZBYLYPTRFL-UHFFFAOYSA-N	302.325	1.044	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)Cc2ccccc2F)nc(N)n1	828371530	JDWJDTMLSNOYGG-VIFPVBQESA-N	303.341	1.828	50	20	DDGD	
CN(C)CC(=O)NN=Cc1cc(Cl)c2c(c1)OCCCO2	727647868	LQJGSADNQCLUJO-UHFFFAOYSA-N	311.769	1.513	50	20	DDGD	
COC(=O)NCCCC(=O)NNC(=O)c1cccc(Cl)c1	490966568	LFMFYBDROPJCTC-UHFFFAOYSA-N	313.741	1.237	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)cn1	495205699	GVUXNCJGGWMKKC-UHFFFAOYSA-N	322.365	1.066	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cn1	497278703	RTQKOLLEKITLNL-UHFFFAOYSA-N	324.337	1.772	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)c2cc[nH]n2)cnn1CC(C)C	822270697	YGZZCHFBOAECAJ-UHFFFAOYSA-N	305.342	1.037	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)s1	822825696	LQNQSPIQAKUJLM-UHFFFAOYSA-N	323.341	1.564	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2C[C@]3(CCCO3)[C@@H]2C2CC2)cn1	491009430	KDUZBSKNEMCIDT-AHEQBSSSSA-N	312.373	1.497	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCO[C@@H](C(F)(F)F)C2)cn1	826137214	NYRZYUFGEZMRNH-NEOSZVFXSA-N	314.267	1.117	50	20	DDGD	
CN(NC(=O)c1ccc2c(c1)nc(O)n2C)C(=O)OC(C)(C)C	496277097	SZLFHIZOGYAECA-UHFFFAOYSA-N	320.349	1.791	50	20	DDGD	
CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCOC1	823948197	GTYKGDSDZWOKSQ-CYBMUJFWSA-N	314.349	1.399	50	20	DDGD	
COc1ncc(/C=C\C(=O)NNC(=O)c2ccccc2F)cn1	492678499	JDCITJDBKBDIJV-SREVYHEPSA-N	316.292	1.099	50	20	DDGD	
CC(C)(C)C[C@@H](NC(=O)NNC(=O)c1cc[nH]n1)C(F)(F)F	822598643	ORPRMWXMXMRENM-MRVPVSSYSA-N	321.303	1.721	50	20	DDGD	
CCN(CC)[C@H](CNCc1ccc(B(O)O)o1)c1ccsc1	585018385	VOLJRCOARHIEAI-CQSZACIVSA-N	322.239	1.194	50	20	DDGD	
CCO[C@H]1C[C@@H](NCC(=O)NNC(=O)C(C)C)C12CCCC2	829634102	AYOUWMYSNKTQPK-OLZOCXBDSA-N	311.426	1.117	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C	823950672	FHDNRGDSVINBTF-NEPJUHHUSA-N	315.414	1.120	50	20	DDGD	
CCN(CCO)NC(=O)CCCc1nnc(-c2ccccc2)o1	823847239	TUOFCFUBGYCPOM-UHFFFAOYSA-N	318.377	1.405	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC2(CCCCC2)C1	827289577	UHJLSOLGFBAENV-STQMWFEESA-N	309.410	1.808	50	20	DDGD	
CCn1cnnc1CCNC(=O)[C@]1(C)C[C@H]1Br	906615515	REVUVSKDYRRRFK-LDYMZIIASA-N	301.188	1.130	50	20	DDGD	
C[C@@]1(C(=O)N2CCN(C(=O)C3CC3)CC2)C[C@@H]1Br	905263569	QUBFKMNFPHDPMD-GXFFZTMASA-N	315.211	1.241	50	20	DDGD	
O=C(COc1ccc(F)c(F)c1)NNC(=O)[C@H]1CCCCO1	820942036	MQVAZBYPDDLSCU-GFCCVEGCSA-N	314.288	1.060	50	20	DDGD	
C[C@@]1(C(=O)NCCc2ccc(O)c(O)c2)C[C@H]1Br	907057928	TWEGIWUXUZOSTQ-DGCLKSJQSA-N	314.179	1.930	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1nc(CCCC(=O)O)cs1	829818651	ZWXURQBNKIKYOU-VQHVLOKHSA-N	309.347	1.933	50	20	DDGD	
CC(C)n1cnnc1CNC(=O)[C@]1(C)C[C@H]1Br	906576824	GYPJSNQIOHCXOJ-LDYMZIIASA-N	301.188	1.649	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@H](O)c1cccc(C(F)(F)F)c1	823922205	JEUHONTWFZOIHA-KWQFWETISA-N	306.284	1.083	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(SC)ccc1Cl	824479216	SDBBJOQPTCQEBH-UHFFFAOYSA-N	303.771	1.861	50	20	DDGD	
OB(O)c1ccc(CN[C@H](c2ccccn2)C2CCCC2)cc1	585026441	HBVSDPYGPVFXIF-SFHVURJKSA-N	310.206	1.783	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C\c1ccc(S(C)(=O)=O)cc1	490611485	QMJUHIXDNILIDN-RAXLEYEMSA-N	306.387	1.913	50	20	DDGD	
COCCN(Cc1ccco1)C(=O)/C(C#N)=C/c1cnn(C)c1	491083686	MJZUSESWHHKVEY-RIYZIHGNSA-N	314.345	1.595	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Cc1ccn(-c2ccccc2)n1	493244710	PHRSVDGTYACHAQ-UHFFFAOYSA-N	316.361	1.971	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=CCCc1cnn(C)c1	834924783	FSBSBLJWRHTYJW-UHFFFAOYSA-N	324.388	1.813	50	20	DDGD	
CCOc1ccc(NNC(=O)NCC2(OC)CCOCC2)cc1	838526309	RZFRQFMMJYBPLR-UHFFFAOYSA-N	323.393	1.907	50	20	DDGD	
COc1cccc(C=NNC(=O)c2cnn(C)c2)c1OC(C)C	735413844	RWJIQUNKENRMLB-UHFFFAOYSA-N	316.361	1.980	50	20	DDGD	
C[C@@H](CCc1cccc(F)c1)NCc1ccc(B(O)O)cc1	585023813	QEXRTTQZXDFSFO-ZDUSSCGKSA-N	301.170	1.616	50	20	DDGD	
CCc1onc(-c2ccccc2)c1C(=O)N1CC[C@H](B(O)O)C1	585063741	GNMKIJRXCGVJBC-LBPRGKRZSA-N	314.150	1.593	50	20	DDGD	
CC(=NNC(=O)NC(C)C)[C@@H]1CN(Cc2ccccc2)CCO1	735614276	RJDNZMSYNXOHCX-INIZCTEOSA-N	318.421	1.971	50	20	DDGD	
CCN(CC)Cc1ccccc1CNCc1ccc(B(O)O)o1	585014734	CFZDSXDMWVFLTJ-UHFFFAOYSA-N	316.210	1.091	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@]1(C(=O)O)CCSC1	909349077	WRTYQVQBDCHOFQ-WRWORJQWSA-N	324.240	1.873	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNc1ccc(F)c(C(=O)OC)c1	837034268	KUMAAAXGMWNAIC-AWEZNQCLSA-N	323.368	1.930	50	20	DDGD	
Cc1ccc(NNC(=O)CCn2ncn(C)c2=O)c(Cl)c1	836935149	ODWOOSZSYNYSQM-UHFFFAOYSA-N	309.757	1.077	50	20	DDGD	
CC(C)(Nc1ccccc1)C(=O)NNC(=O)NCC(F)(F)F	907966464	BGEBXLGPYOAZNY-UHFFFAOYSA-N	318.299	1.770	50	20	DDGD	
C[C@H](NC(=O)NNc1cc(F)c(F)cc1F)c1nncn1C	734657368	DTRXQYURYMESNV-LURJTMIESA-N	314.271	1.620	50	20	DDGD	
CC(C)Cn1ccc(C(=O)NNC(=O)NCC(F)(F)F)n1	907966619	GHYJDOIUJCNTIO-UHFFFAOYSA-N	307.276	1.045	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@@H]2CCOC(C)(C)C2)n1	836676188	IZYGETAZCDVBST-LLVKDONJSA-N	308.382	1.922	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@]2(C)CCCOC2)ccc1F	837035984	JOIPXHPCNQIOKG-OAHLLOKOSA-N	310.325	1.872	50	20	DDGD	
CN(NC(=O)c1ccc([S@@](C)=O)cc1)C(=O)OC(C)(C)C	838363497	ACVDYFIOFKNDPX-OAQYLSRUSA-N	312.391	1.936	50	20	DDGD	
O=C(NNC(=O)C1CCC(C(F)(F)F)CC1)c1ncon1	832826341	XCMDWVWFPJTUEZ-UHFFFAOYSA-N	306.244	1.199	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@@H]2CCSC2)cc1	836331802	OYDMZEJGUMMRMJ-SNVBAGLBSA-N	310.379	1.536	50	20	DDGD	
CC(C)c1ccc(NNC(=O)C[C@H]2SC(=N)NC2=O)cc1	837055322	CTLULBVIBVDWAJ-LLVKDONJSA-N	306.391	1.810	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@H](C(=O)OC(C)(C)C)C1CCCC1	910140224	XJHMFROGTNPAKO-YPMHNXCESA-N	314.426	1.478	50	20	DDGD	
C[C@H](OC[C@H]1CCCO1)C(=O)NNc1ncc(F)cc1F	837207284	RLZQRUMYMLETOW-WCBMZHEXSA-N	301.293	1.387	50	20	DDGD	
CCCC[C@@H](C)N(C)CC(=O)NNC(=O)c1ccc(C#N)cc1	839605785	LWQUCOHBKYIGIU-CYBMUJFWSA-N	316.405	1.830	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)Nc1ccc(N(C)C)cc1	741767767	ZGSDUBIJXKQAPN-UHFFFAOYSA-N	312.395	1.295	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(Oc2ccccc2)ccn1	910164318	UINHJUFAWFGJIP-LBPRGKRZSA-N	301.346	1.831	50	20	DDGD	
O=C(CCOCC(F)(F)F)NNC(=O)NC1CCCCC1	914457576	CJFQRZGJOOSIBA-UHFFFAOYSA-N	311.304	1.619	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccnc(NC2CCC2)c1	911425460	HWMRBMBXUIRXII-UHFFFAOYSA-N	316.283	1.759	50	20	DDGD	
N#CSCCCNS(=O)(=O)c1cccc2c1OCO2	916991689	BVRCNZYJNLXOHI-UHFFFAOYSA-N	300.361	1.298	50	20	DDGD	
COc1ccc2c(c1)[C@H](C(=O)NNC(=O)NCC1CC1)CCC2	847390153	CDITZHPRPLISPD-CQSZACIVSA-N	317.389	1.856	50	20	DDGD	
CCC(=NNC(=O)COc1ccc(C#N)cc1)[C@H]1CCOC1	741837162	KSHURPUXQXADON-ZDUSSCGKSA-N	301.346	1.856	50	20	DDGD	
CCc1cccc(OCC(=O)NNc2nc(C)cc(OC)n2)c1	746624143	YZDDXVKVRWEFTN-UHFFFAOYSA-N	316.361	1.878	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC2CCC(N)CC2)c1F	841945258	CKGUNPJCOZDOEX-UHFFFAOYSA-N	324.356	1.508	50	20	DDGD	
CC1(C)[C@H]2CN(CC(=O)NNC(=O)c3cccc(Cl)c3)C[C@@H]21	741807747	LCZUVAFRJLGAGP-STQMWFEESA-N	321.808	1.689	50	20	DDGD	
COCCn1cc(C=NNC(=O)NCCc2cccs2)cn1	743436180	SMDSGOMIIQPFLP-UHFFFAOYSA-N	321.406	1.467	50	20	DDGD	
CCN(CC(=O)NNc1ccnc(N(C)C)n1)c1ccccc1	740103603	VACCTJQVIGSSFG-UHFFFAOYSA-N	314.393	1.512	50	20	DDGD	
CCN(CC)c1ccc(C=NNC(=O)N2CCOCC2)cc1	745590868	JNVKBKAAQMYHSO-UHFFFAOYSA-N	304.394	1.909	50	20	DDGD	
O=C(CNc1ccccc1)NN=C1C(=O)Nc2cc(O)ccc21	915937545	RXXFYEVOCWIFGQ-UHFFFAOYSA-N	310.313	1.277	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H]2CCc3cncn3C2)n1	844134931	PMSLUCCJWICAAQ-VIFPVBQESA-N	306.757	1.341	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(OCC2CC2)cc1	843644646	CTAQQTISQFSWTF-NHYWBVRUSA-N	318.373	1.661	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2ccc(C(N)=O)cc2C)n1	916633424	BVRUDJHCDUKPSA-UHFFFAOYSA-N	314.349	1.649	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])n1	915605632	LUDCNDOVROSJKI-UHFFFAOYSA-N	300.274	1.373	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](Cc2ccccc2)[C@@H]1C	746675029	AWRINWKUEGPFMV-OFQRWUPVSA-N	317.433	1.885	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1scnc1C(F)(F)F	847391107	QVTFVTVGBQYGCL-UHFFFAOYSA-N	308.285	1.516	50	20	DDGD	
COCCN(C)NC(=O)C1(C(=O)OC(C)(C)C)CCCCC1	846123555	ZWFDIDYGLSZAGF-UHFFFAOYSA-N	314.426	1.888	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1	910184553	SZNHCGUUEJZZFU-IHRRRGAJSA-N	321.421	1.258	50	20	DDGD	
CNc1nccc(C(=O)N(C)CC(Cl)Cl)c1[N+](=O)[O-]	848082972	FNKXFMTZIBJNST-UHFFFAOYSA-N	307.137	1.907	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCCCNC(C)C)c1ccccc1	841934228	SASOKQFEVAXKAT-OAHLLOKOSA-N	320.437	1.899	50	20	DDGD	
CC(C)c1ccccc1OCC(=O)NNC(=O)N1CCOCC1	745993131	YLJISWYWUJXCOG-UHFFFAOYSA-N	321.377	1.262	50	20	DDGD	
CCS(=O)(=O)CCCNC(=O)NNc1ccc(Cl)nc1	840471478	GHGWQWQSXDCAPM-UHFFFAOYSA-N	320.802	1.186	50	20	DDGD	
C[C@@H](CCNC(=O)NNC(=O)c1ncccn1)CC(C)(C)C	841579882	CBGHJIDDOHIACB-NSHDSACASA-N	307.398	1.883	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@]1(c2ccccc2)CCC(=O)NC1	847891822	IYLGYTCTWRHNGK-GOSISDBHSA-N	324.384	1.681	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)OCC(=O)NCC2CC2)c1	922877489	IDZPRQXPUFXVDD-VGOFMYFVSA-N	314.341	1.672	50	20	DDGD	
C[C@@H]([C@H](C)C(=O)NNc1c(F)cccc1Cl)S(C)(=O)=O	841422529	OQJMNWAHAJRJFF-YUMQZZPRSA-N	322.789	1.991	50	20	DDGD	
CC(C[C@@H]1CCCC(=O)N1)=NNC(=O)Cc1nc(C)cs1	841618719	RSQGDXBBVHARMX-NSHDSACASA-N	308.407	1.545	50	20	DDGD	
CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)NNC(=O)c1cn[nH]c1	858230955	KHHOJOWDKWKOGT-JQWIXIFHSA-N	323.397	1.195	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@H](C)C(=O)NNc1ncc(Cl)cn1	857356738	VUZJYSRZIUOBNE-QMMMGPOBSA-N	322.800	1.802	50	20	DDGD	
CCc1ccccc1-n1cc(O)c(C(=O)NNC(=O)C(C)C)n1	752790633	YXKASYAXGNLHFF-UHFFFAOYSA-N	316.361	1.557	50	20	DDGD	
CC(C)(C)OC(=O)NCCCCCC(=O)NNC(=O)C(F)F	855861105	PUIRWCHYXOQEKN-UHFFFAOYSA-N	323.340	1.484	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C	858777142	HBRKONUNOJBPGB-LSDHHAIUSA-N	311.382	1.239	50	20	DDGD	
COC(C)(C)C[C@H](C)NC(=O)NNc1ncc(Cl)cn1	856870369	OUXCHEPLEMHNIQ-QMMMGPOBSA-N	301.778	1.960	50	20	DDGD	
Cn1cc(C(=O)C(=O)OC[C@H](CBr)C2CC2)cn1	859529880	BWKLSQXUHRLHHD-VIFPVBQESA-N	315.167	1.567	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)[C@H]1CC(=O)N(C2CC2)C1	855622217	ZFVNHZHAUNGFFS-QMMMGPOBSA-N	322.296	1.188	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NC[C@@]1(C)C[C@H]1Br	857400700	CDRRCFBTWXPOOS-BXKDBHETSA-N	300.200	1.940	50	20	DDGD	
CN(C)C(=O)C1CCC(C(=O)NNc2ncccc2F)CC1	854415702	LJTUDIKJOPEFJG-UHFFFAOYSA-N	308.357	1.558	50	20	DDGD	
NC[C@H]1OCC[C@H]1C(=O)NNc1ccccc1C(F)(F)F	852812723	FFWARIYKQSVURN-LDYMZIIASA-N	303.284	1.512	50	20	DDGD	
CCC[C@@H](O)CC(=O)NNC(=O)c1ccc(OCC)c(OC)c1	750079548	WZVUBMYSMJNVGG-GFCCVEGCSA-N	324.377	1.406	50	20	DDGD	
Cc1nc(C)c(C(=O)NNc2ccc(C(F)(F)F)nn2)[nH]1	857163208	WTVXDJZFXBJDRF-UHFFFAOYSA-N	300.244	1.592	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)COC)cc1OCC	755427234	UCUONXRDVZPNLN-UHFFFAOYSA-N	311.338	1.283	50	20	DDGD	
CC[C@H]1COCC1=NNC(=O)COc1ccccc1[N+](=O)[O-]	853272091	NSEISTAPPOHYAG-JTQLQIEISA-N	307.306	1.502	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)c2cccc(N(C)C)c2)c(C)n1	858158877	TYFZPYABJKSSLO-UHFFFAOYSA-N	315.377	1.352	50	20	DDGD	
COc1ccccc1NCC(=O)NN=Cc1cnc2n1CCC2	853262781	JYOACNXBZCMMEZ-UHFFFAOYSA-N	313.361	1.400	50	20	DDGD	
C[C@@]1(CNC(=O)CCCn2cncn2)C[C@H]1Br	857401503	ZFBZLMAPJATSJN-KOLCDFICSA-N	301.188	1.348	50	20	DDGD	
CCO[C@@H]1C[C@@H](N[C@H](C)C(=O)NNC(=O)CC)C1(CC)CC	759438058	TUWMPFHMAXFACL-JHJVBQTASA-N	313.442	1.506	50	20	DDGD	
COC(=O)c1ccccc1CCC(=O)NNC(=O)c1ccc[nH]1	758151729	XBBNRXIREOSFTL-UHFFFAOYSA-N	315.329	1.195	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H](CC(=O)NN=c1cc[nH]cc1)C1CC1	752772575	RGONTJVQJFAPIR-ZDUSSCGKSA-N	320.393	1.640	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=S)NCCc1cccs1	755631992	JXIYQPJTRKNXNP-JTQLQIEISA-N	315.464	1.459	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@](F)(CO)C2)C[C@H]1Br	856957131	AEWSAKITRZEZOZ-FBIMIBRVSA-N	309.179	1.276	50	20	DDGD	
C[C@H](O)c1ncc(C(=O)NNC(=S)N[C@H](C)C2CC2)s1	855097819	YIJVUAGXGBRXAC-RQJHMYQMSA-N	314.436	1.104	50	20	DDGD	
C[C@H](CO)CCCNC(=O)NC[C@@]1(C)C[C@H]1Br	856881426	RMTIZQQBCRYSPJ-HOSYDEDBSA-N	307.232	1.868	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2cnc3ccccn23)cc1	755599569	UIEJBGUWBFJNKB-UHFFFAOYSA-N	321.340	1.732	50	20	DDGD	
CCCNC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1ccc(O)cc1	750666827	SFOIPRYVWHHFBN-VSXLWIIGSA-N	302.330	1.757	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1c(F)cccc1F	853386790	AGBJUKRYLIUBLY-RISCZKNCSA-N	323.343	1.668	50	20	DDGD	
COC[C@H](C)C=NNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C	853371813	IQVUHJUOEWUSQN-JHJVBQTASA-N	308.382	1.272	50	20	DDGD	
COCC1(CCNC(=O)NNc2ncc(Cl)cn2)CCC1	856910073	RTMCKWHQUUEXJR-UHFFFAOYSA-N	313.789	1.963	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=CC[C@@H](C)c1ccccc1	755699413	RBAKSEOPCFIHKV-NEPJUHHUSA-N	311.407	1.220	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)c1cc2ccccc2cc1O	755677637	LPDIXDKQWISCPS-NSHDSACASA-N	316.357	1.979	50	20	DDGD	
O=C1NCCC[C@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	868607146	NJBQMCWPCBDESG-MRVPVSSYSA-N	302.256	1.070	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1C[C@H]2CC[C@H]1[C@H]1CNC[C@@H]21	866802467	MEBVLKYZALACHB-VOAKCMCISA-N	320.886	1.511	50	20	DDGD	
COc1ccc(C)nc1NC(=O)NNC(=O)c1ccccc1O	765292794	HPNBUNIZFSUZOR-UHFFFAOYSA-N	316.317	1.571	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)N1CCCc2ccc(F)cc21	764342274	LOBOGQYEOVOBPT-UHFFFAOYSA-N	319.336	1.052	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=C1CCN2CCC[C@@H]12	765569374	KACVLLNSXSXOBX-NHIYQJMISA-N	322.453	1.072	50	20	DDGD	
COc1cccc(C=NNC(=O)[C@@H]2CCC(=O)N2)c1OC(C)C	863146686	UCVTXHJPVFJSKE-LBPRGKRZSA-N	319.361	1.211	50	20	DDGD	
CC[C@@](C)(O)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	935681297	QSDIQRNMVNFCCA-YMTOWFKASA-N	314.769	1.416	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NNc1ccncn1	861874391	ZBNVKMACLZNNAV-SNVBAGLBSA-N	309.370	1.565	50	20	DDGD	
CSc1ccc(CCC(=O)NNC(=O)N2CCOCC2)cc1	931114963	KVFUDRUDBNWWQN-UHFFFAOYSA-N	323.418	1.414	50	20	DDGD	
CCOc1cccc(CCC(=O)NNc2nccn(C)c2=O)c1	863892936	FHQITBCJIFJGED-UHFFFAOYSA-N	316.361	1.255	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)c1cccnc1)C(=O)N2C	865611470	BLMAGUAIBMSMHG-UHFFFAOYSA-N	310.313	1.201	50	20	DDGD	
COC(=O)c1ccccc1CCC(=O)NNc1cc(C)ncn1	760151578	GIOKXVDCANKMTM-UHFFFAOYSA-N	314.345	1.648	50	20	DDGD	
CCc1cc(C(=O)NNc2ccccc2C(=O)OC)c(C)nn1	760018913	PAGMAVBFZDFDRM-UHFFFAOYSA-N	314.345	1.891	50	20	DDGD	
O=C(NNc1cccnn1)N[C@H]1CCN(C2CCCCC2)C1=O	765887160	XNSDTLYIWHPJNZ-LBPRGKRZSA-N	318.381	1.036	50	20	DDGD	
CNC(=O)CCCNC(=O)NNc1nc2c(C)cccc2s1	868358014	BMHIMWOUCCEUNV-UHFFFAOYSA-N	321.406	1.757	50	20	DDGD	
C[C@H](NNC(=O)c1ccccc1Cn1cncn1)C(F)(F)F	862311997	YIMFUJVKXSRWDR-VIFPVBQESA-N	313.283	1.512	50	20	DDGD	
O=C(C[C@H]1CC(=O)NC1=O)NNc1cccc2c1CCCC2	935022110	BKYNCKHUOVNMGX-LLVKDONJSA-N	301.346	1.061	50	20	DDGD	
COc1ccc2c(c1)C[C@H](C(=O)NN[C@H](C)C(F)(F)F)CO2	862306904	FKCUJHFFHKWMDQ-SCZZXKLOSA-N	318.295	1.818	50	20	DDGD	
COC[C@H]1CCCN1NC(=O)/C(C#N)=C\c1ccc(O)cc1	862594038	UAPQJPWQQHQTDN-RNQWEJQRSA-N	301.346	1.441	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CCCN(CC(F)F)C2)nc1	867644878	ZSHZMCFEZOCVOW-SNVBAGLBSA-N	314.336	1.510	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H]1C[C@H]1C(F)(F)F	868231115	YISJJOSTMWGBDF-RKDXNWHRSA-N	317.267	1.590	50	20	DDGD	
O=C(Cc1ccco1)NNC(=S)NCCc1cccs1	765390295	CPJGECKPVAXSBZ-UHFFFAOYSA-N	309.416	1.622	50	20	DDGD	
COCCOCC(=O)NNC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1	869909274	OZAZRUCCJKGJOX-OLZOCXBDSA-N	314.426	1.649	50	20	DDGD	
CCN(C(C)=O)c1nc(C=NNC(=O)c2ccc[nH]2)cs1	767231483	CKSBWTIIEAFJTN-UHFFFAOYSA-N	305.363	1.608	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)cc[nH]1	862510579	LLYNZHORLCNKSZ-LLVKDONJSA-N	316.327	1.529	50	20	DDGD	
C[C@H](NNC(=O)[C@@H](Oc1ccccc1)C(C)(C)O)C(F)(F)F	862320996	QAOSPCZSEXRQDU-GXSJLCMTSA-N	320.311	1.777	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cccc(-c2nc[nH]n2)c1	767195899	FREGRHJSOLWROY-UHFFFAOYSA-N	321.340	1.855	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)Nc1cccc2c1CCCC2	1118019017	LSBKHQGMCXCYPN-UHFFFAOYSA-N	316.405	1.718	50	20	DDGD	
CN(N=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(N)=O	767908740	WCFPCPWCHOTHMZ-UHFFFAOYSA-N	305.338	1.930	50	20	DDGD	
Cc1cc(C(=O)NNc2nc(-c3ccccc3)no2)c(C)nn1	767457144	HQMMSDBXDPKLAJ-UHFFFAOYSA-N	310.317	1.900	50	20	DDGD	
COCCOCC(=O)NN=Cc1cc(Cl)c(F)cc1O	872400042	FTSPCMSJBZBNDQ-UHFFFAOYSA-N	304.705	1.298	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1	1116768319	JKQOIUZZMAIPDJ-VIFPVBQESA-N	310.379	1.602	50	20	DDGD	
NC(=O)COc1cccc(NC(=O)NCC(Cl)Cl)c1	1119308050	HDNUCLDRKTZZPU-UHFFFAOYSA-N	306.149	1.476	50	20	DDGD	
C[C@H](NNC(=O)c1cccc(N2CCNC2=O)c1)C(F)(F)F	1118882347	PMYZGCILVIMWOZ-QMMMGPOBSA-N	316.283	1.401	50	20	DDGD	
CN1CCc2cc(C(=O)NNc3ncccc3[N+](=O)[O-])ccc21	779394646	NJEUFXKQGSKIRS-UHFFFAOYSA-N	313.317	1.739	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNc1cccc(C(F)(F)F)n1	878923204	VLUBTIWNTVYRHC-QMMMGPOBSA-N	304.272	1.458	50	20	DDGD	
O=C(NNC(=O)C1CCSCC1)c1n[nH]c2c1CCCC2	1116056421	YGPJHIGFIMPHFG-UHFFFAOYSA-N	308.407	1.193	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@H](C)OCC2CC2)nc1C	778424796	AEBXGERSCXZUHF-JTQLQIEISA-N	322.365	1.220	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)[C@H]1C[C@@H]1c1cccc(F)c1	882665158	UYVKFKRARUIWBP-NEPJUHHUSA-N	300.355	1.288	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)C1CCOCC1	883072520	OZKJUPHECVBGQO-SOUVJXGZSA-N	300.358	1.146	50	20	DDGD	
CCOCCC1(C(=O)O[C@@H](C)C(=O)NNC(=O)CC)CCC1	772202048	ILYBGHCJKLEFQE-NSHDSACASA-N	314.382	1.072	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NC[C@@H]1C=CCC1	883416178	OBATXISVPMSIEH-GFCCVEGCSA-N	313.361	1.553	50	20	DDGD	
CCCCNC(=O)NN=Cc1cc(Br)nn1C	782201317	OHHNUIBGFDQABN-UHFFFAOYSA-N	302.176	1.616	50	20	DDGD	
COc1ccc(CN(CCO)S(=O)(=O)CCCCl)cc1	882838475	KLZGYTOZYVXNHZ-UHFFFAOYSA-N	321.826	1.448	50	20	DDGD	
CCOC(=O)[C@@H](CC)N(C1CC1)S(=O)(=O)CCCCl	882114748	YIHOAZBXSZLQSM-LLVKDONJSA-N	311.831	1.751	50	20	DDGD	
CCc1nnc(SCC(=O)NNC(=O)c2ccc(C)cc2)o1	882333593	VQCAWGVPCVMNLL-UHFFFAOYSA-N	320.374	1.494	50	20	DDGD	
N#Cc1ccc(CNC(=O)NNc2cncc(Cl)n2)nc1	780641855	QJQSGOCWOYCPSJ-UHFFFAOYSA-N	303.713	1.223	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)N[C@H]2CCS(=O)(=O)C2)[C@H](C)C1	783832807	VCISUEIKGQYYFD-MXWKQRLJSA-N	301.412	1.285	50	20	DDGD	
CSc1ccc(C(=O)NNc2ccc(-n3ccnc3)nn2)o1	788177475	JYKDQXDQLUOTPD-UHFFFAOYSA-N	316.346	1.734	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCOc1ccccc1OC	887139579	VSAFSAQUFKFBCB-UHFFFAOYSA-N	304.346	1.415	50	20	DDGD	
O=C(NNc1ncncc1Cl)N[C@@H]1CCC[C@H]2OCC[C@@H]12	781002663	JKLMWFVAKVNARV-JMJZKYOTSA-N	311.773	1.714	50	20	DDGD	
COc1cccc(NNC(=O)c2cc(-c3ccccn3)no2)n1	780773493	ZHJZXDOGMXIVGZ-UHFFFAOYSA-N	311.301	1.897	50	20	DDGD	
CC(=O)Nc1ccccc1CNS(=O)(=O)CCCCl	881936165	MPYDAROMAFVJPX-UHFFFAOYSA-N	304.799	1.693	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1cccc(CSC)c1	784915066	FOEQTBYQWTVMRQ-UHFFFAOYSA-N	324.406	1.181	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)c3ccccc32)cc1	789748833	XYRKERGMBHPEIQ-OAHLLOKOSA-N	319.320	1.689	50	20	DDGD	
CC1(C)CC(CNC(=O)NNC(=O)COc2ccc(F)cc2)C1	780875282	QGUUCFJELCABML-UHFFFAOYSA-N	323.368	1.971	50	20	DDGD	
COc1ccc(OC)c(NC(=O)C(=O)NNc2ccccn2)c1	784795816	ADCDEWYSHLDWFM-UHFFFAOYSA-N	316.317	1.181	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ncc(C(F)(F)F)cc1Cl	894134747	NEDDIUMCKXNFFR-UHFFFAOYSA-N	324.690	1.076	50	20	DDGD	
CC(C)N1CCC[C@@H]1C(=O)NNc1nc2ccccc2n1C	899094912	AEJSWEYOUOSSOR-CQSZACIVSA-N	301.394	1.889	50	20	DDGD	
COC(=O)COc1ccc(/C=C(\C#N)C(N)=C(C#N)C#N)cc1	782178684	FWIYSSVDJKRWJK-WUXMJOGZSA-N	308.297	1.405	50	20	DDGD	
CC(C)C(=O)NNC(=O)Cc1cccc(N2CCCC2=O)c1	784699799	XCMFNIAEQKTEQK-UHFFFAOYSA-N	303.362	1.159	50	20	DDGD	
CO[C@]1(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)CCSC1	897692684	AJLRGKYBUWBDTB-OAHLLOKOSA-N	319.386	1.493	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CCCC(=O)NC(C)C	798313249	UKNCTCCLTKUPCG-UHFFFAOYSA-N	320.393	1.843	50	20	DDGD	
CO[C@H](C(=O)NNc1cccc(F)c1[N+](=O)[O-])c1cnn(C)c1	799005821	SHXZVXJNJHPTHM-LBPRGKRZSA-N	323.284	1.298	50	20	DDGD	
CC[C@@H](C)CC[C@@H](O)CC(=O)NNc1cc(Cl)nc(N)n1	793801421	USTZLTILTKUXET-RKDXNWHRSA-N	315.805	1.733	50	20	DDGD	
COc1coc(C(=O)NNc2nccnc2C(C)C)cc1=O	799001784	JEZHSCMJTJPRLS-UHFFFAOYSA-N	304.306	1.319	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2occc2Br)n1	794082110	YXBXRVIVMCLPQZ-UHFFFAOYSA-N	324.134	1.820	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2occ3c2CCC3)cc1	794779536	ZLDLVAFGGJMEGB-UHFFFAOYSA-N	314.341	1.917	50	20	DDGD	
Cc1csc(C(=O)NNc2ccc(C(N)=O)nn2)c1Cl	792378341	NNLOLKJYQCDIOE-UHFFFAOYSA-N	311.754	1.356	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNc1nc(O)c2ccccc2n1	795175330	XVXWKIFORXBHLV-JOYOIKCWSA-N	304.350	1.840	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccccc1)c1ccc2c(c1)OCO2	794200124	WOCLZUZPMPPTSV-LLVKDONJSA-N	312.325	1.980	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NC[C@H](C)S(C)(=O)=O	799609123	BXWXGKXSZWNNTB-NSHDSACASA-N	313.423	1.617	50	20	DDGD	
O=C(NN=C1CN2CCC1CC2)[C@H]1COc2ccccc2O1	793245329	JMKHPCGCEYGYIH-OAHLLOKOSA-N	301.346	1.024	50	20	DDGD	
CCS(=O)(=O)C[C@@H](C)N(C)C[C@H](C)CBr	248782775	WZNLSRCTOJKMGY-NXEZZACHSA-N	300.262	1.772	50	20	DDGD	
CC(=NNC(=O)C[n+]1ccccc1)c1cc(C(=O)O)cs1	1324914932	VUIMXADLHZRRJX-UHFFFAOYSA-O	304.351	1.274	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)OC1CCCCC1	1321051072	DEKGLEQUXLTEMF-QWRGUYRKSA-N	314.382	1.213	50	20	DDGD	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CC[C@H](B(O)O)C1	585074736	NYCIVXVOXNMUKB-UWVGGRQHSA-N	313.615	1.896	50	20	DDGD	
CSSCCNC(=O)N1CCN(C(=O)CC(C)C)CC1	1321689098	VZJOULDAYKSJKO-UHFFFAOYSA-N	319.496	1.898	50	20	DDGD	
CCN(CCNC(=O)NNc1nncc(N)c1Cl)C(C)C	1322643759	UFHYRSYEKVHEDJ-UHFFFAOYSA-N	315.809	1.069	50	20	DDGD	
C[C@@H](OC1CCCCC1)C(=O)NNc1ccnc(N(C)C)n1	1322014169	XTBSQGFVVYHZPQ-LLVKDONJSA-N	307.398	1.724	50	20	DDGD	
Cn1ccc(NNC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2=O)n1	1326192580	JPVIJFMCJCPHQT-LBPRGKRZSA-N	317.324	1.055	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2CCCOCC2)cc1	1254206350	LOHGROZXUGCZRP-LBPRGKRZSA-N	307.350	1.208	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1[nH]nc(C(F)(F)F)c1C	1335737950	BEQMXUGQMKRECM-UHFFFAOYSA-N	307.276	1.481	50	20	DDGD	
CC(C)c1ccc(NNC(=O)[C@@H]2CN3CCN2C[C@H]3C)cc1	1263839470	BRXRVFYSBDKZIT-CJNGLKHVSA-N	302.422	1.641	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)COCc1ccncc1	1343689441	PWYGDSDUQKRFAS-UHFFFAOYSA-N	315.329	1.068	50	20	DDGD	
C[C@@H]1CNc2c(C(=O)NNc3cnc4ccccc4n3)cnn2C1	1347146909	ASLMVIFZQVWZSH-SNVBAGLBSA-N	323.360	1.645	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@H]1CCCCN1Cc1cccc(F)c1	1352303630	RDOQVSYKGDWMLA-CZUORRHYSA-N	323.412	1.524	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1cscc1-c1nn[nH]n1	1606862933	NPQBUCHRUUPAKF-UHFFFAOYSA-N	322.741	1.129	50	20	DDGD	
O=C(NNc1ccncn1)Nc1ccc(F)c(C(=O)O)c1F	1608484442	UFKHZGBOEFCKIM-UHFFFAOYSA-N	309.232	1.602	50	20	DDGD	
O=C(O)C12CC(C(=O)NNc3ccc(OC(F)F)cc3)(C1)C2	1608582149	AYUYWODKESNKSO-UHFFFAOYSA-N	312.272	1.986	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@@H]2CCN2C2CCCC2)ccc1F	1608856529	AZNNGDVNNKPNLC-AWEZNQCLSA-N	321.352	1.984	50	20	DDGD	
CN(C)[C@@H]1CCC[C@H](C(=O)NNc2ccccc2C(=O)O)C1	1606020772	WCVVHVQPPVFODM-NWDGAFQWSA-N	305.378	1.948	50	20	DDGD	
O=C(NN[C@@H](C(=O)O)c1ccccc1Cl)[C@H]1C[C@H]2CC[C@H]1O2	1601677420	BEZPZBSKPLUDIJ-MWKLQFHZSA-N	324.764	1.654	50	20	DDGD	
O=C(O)[C@H]1CCC[C@H](C(=O)NNCC(F)(F)C(F)(F)F)C1	1601803784	RDBINTOSIDZVIT-BQBZGAKWSA-N	318.242	1.696	50	20	DDGD	
C[C@@]1(CNc2cc(-c3nn[nH]n3)ncn2)C[C@@H]1Br	1603808182	XVPIARQKCMVJNA-XVKPBYJWSA-N	310.159	1.242	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccc(C(=O)O)c(F)c1)c1cnn(C)c1	1604067898	GGMXAKHWJXOXMH-VIFPVBQESA-N	320.324	1.894	50	20	DDGD	
O=C(O)Cc1c(C(=O)NNC(=O)CC2CC2)[nH]c2ccccc12	1602116705	FYMGYNJMEVBCBB-UHFFFAOYSA-N	315.329	1.356	50	20	DDGD	
Cc1cc(NNC(=O)Nc2ccc(CC(=O)O)cc2)nc(N)n1	1607695375	FIYFIIAUFCEECV-UHFFFAOYSA-N	316.321	1.143	50	20	DDGD	
COCCOCCC(=O)NNc1ccc(F)c(C(=O)O)c1	1610260877	BYYSPCQQMNIFHY-UHFFFAOYSA-N	300.286	1.020	50	20	DDGD	
CN(C)c1ccc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)s1	1549315184	LPRUPBWGJAQAME-DGCLKSJQSA-N	322.434	1.127	50	20	DDGD	
Cc1c(Cl)cccc1C=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549904588	KGRJDGWWZFOMLF-UKRRQHHQSA-N	321.808	1.962	50	20	DDGD	
O=C(O)CC1CC(=NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)C1	1610761465	DHQNLKYLPYYMLZ-VYIWWYPRSA-N	316.357	1.916	50	20	DDGD	
CCc1ccc([C@@H](C)CC(=O)NNC(=O)[C@@H]2CCCNC2)cc1	1578253829	NIPNHRUECFLWRW-XJKSGUPXSA-N	317.433	1.890	50	20	DDGD	
C=C(C)C[C@@H](NC(C)=O)C(=O)NNc1cccc(C(=O)O)c1	1588546725	BJETYOUDKNVGEE-CYBMUJFWSA-N	305.334	1.299	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(CC(=O)O)c(F)c1	1588435415	PIFMQTCRCSCCJU-UHFFFAOYSA-N	321.308	1.409	50	20	DDGD	
O=C(CC[C@H]1CCCNC1)NNC(=O)c1c[nH]c2ccccc12	1580529137	XPQRKGRTMIANPA-GFCCVEGCSA-N	314.389	1.709	50	20	DDGD	
CCc1cncc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1	1590901252	XGSSCPKPIDLBBX-UHFFFAOYSA-N	309.333	1.581	50	20	DDGD	
C[C@@]1(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)O)C2)C[C@H]1Br	1593749801	SDBZSNALSZPQMT-ZFWZSOMGSA-N	316.195	1.873	50	20	DDGD	
O=C(O)[C@@]1(C(=O)NNc2ncccc2[N+](=O)[O-])CC=CCC1	1594866979	FPZOVAVESBOYPD-ZDUSSCGKSA-N	306.278	1.244	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@H](C(=O)O)C(C)(C)C	1594144533	UELYSRBPFJKDRF-CYBMUJFWSA-N	322.361	1.132	50	20	DDGD	
Cc1ccccc1NNC(=O)c1csc(-c2nn[nH]n2)c1	1592259465	SCNSMKDTFBKAKK-UHFFFAOYSA-N	300.347	1.994	50	20	DDGD	
N#Cc1ccc(C(=O)O)c(C=NNC(=O)Cc2ccccc2O)c1	1776094104	BECGYPHTLCAFKL-UHFFFAOYSA-N	323.308	1.655	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NN=Cc1sc(CC)cc1C(=O)O	1776102123	HEEWFPNXCPNWAP-ONGXEEELSA-N	310.375	1.884	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H](NC(C)=O)C(C)C)cc1	5066331	GIYJEXDHGQJJEW-CQSZACIVSA-N	305.378	1.171	50	20	DDGD	
C[Si](C)(C)OCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC#N	1795463381	ODWMHDJCWGGQMN-CLLJXQQHSA-N	323.469	1.390	50	20	DDGD	
N#CC(C#N)=CNc1cc(S(=O)(=O)N2CCCC2)ccc1O	15241068	BCBUDJHZCMCCBF-UHFFFAOYSA-N	318.358	1.520	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cnn(C)c1)c1ccc(F)cc1	160107811	RRZAGUIROSFSDI-ZDUSSCGKSA-N	304.325	1.514	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCc1cn(C)c2ccccc12	151561008	WXXWYZIRTYYVJK-UHFFFAOYSA-N	324.384	1.911	50	20	DDGD	
Cc1csc(NC(=O)NNc2nc3ccccc3c(=O)[nH]2)n1	151832011	NFDAOFCUYLHUCA-UHFFFAOYSA-N	316.346	1.837	50	20	DDGD	
Cn1ccc(C(=O)NNc2ccccc2Br)cc1=O	153656916	HPCWMMFKWLVFLG-UHFFFAOYSA-N	322.162	1.905	50	20	DDGD	
Cc1nc(C)c(CCC(=O)NNc2ccc(C#N)cc2)c(=O)[nH]1	155698619	YHLOIRNHMJNHNI-UHFFFAOYSA-N	311.345	1.334	50	20	DDGD	
CCCC1(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)CCC1	155272235	UARGDQOZQUAFOX-ZDUSSCGKSA-N	317.455	1.338	50	20	DDGD	
O=C(CN1CSCC1=O)NNc1cccc(C(F)(F)F)n1	155983142	FBSXGCDRZNIMFT-UHFFFAOYSA-N	320.296	1.076	50	20	DDGD	
Cn1cc(C[C@H]2CCN(S(=O)(=O)CCCCCl)C2)cn1	154516425	DBAHIDDXNOMAGJ-GFCCVEGCSA-N	319.858	1.633	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1cccn1C	159846051	FTTZWXWOPVPMSQ-GHMZBOCLSA-N	303.387	1.960	50	20	DDGD	
O=C(CCC(=O)c1ccccc1)NNC(=O)Cc1cccnc1	103456909	FIXUXTPZESELSL-UHFFFAOYSA-N	311.341	1.435	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1ccnc2ccccc12)C(C)C	106925636	DKQSXOSIEGUMNE-OAHLLOKOSA-N	300.362	1.839	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNC(=O)c1cc2ccccc2o1	176286998	ZYNVHCNMGPZYPW-NSHDSACASA-N	305.334	1.802	50	20	DDGD	
O=C(NCCCF)NNC(=O)c1cccc(OC(F)F)c1	119525526	KMVYUKFJLYRVGQ-UHFFFAOYSA-N	305.256	1.592	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCCCO2)NC1CCCC1	68284021	CJOJGCBXICOVCW-UHFFFAOYSA-N	319.361	1.735	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CNC(=O)CCC2CCCC2)n1	170666089	MRCAYDAWTYDDER-UHFFFAOYSA-N	319.409	1.623	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](C)N2CCCCCC2)n1	174479477	ZUTQPKKRRHXXTR-GFCCVEGCSA-N	307.398	1.501	50	20	DDGD	
CC[C@@](C)(NS(=O)(=O)c1ccc(CCl)cc1)C(N)=O	306082478	DRVDQZFPGYUPGG-GFCCVEGCSA-N	304.799	1.358	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)C)ccc1-n1cncn1	173110582	DHMCRAAPNRXGBT-UHFFFAOYSA-N	301.350	1.383	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	178005267	XNHLFEZNWVSBTI-KWQFWETISA-N	320.374	1.324	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CSC(F)(F)F	67435999	CJRBPAPTRTVLGS-UHFFFAOYSA-N	308.281	1.709	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)COC(C)C)cc1OC	63664293	FCJABOZMRCAJSP-UHFFFAOYSA-N	310.350	1.280	50	20	DDGD	
CCNC(=O)CNS(=O)(=O)c1ccc(CCCCl)cc1	171085314	JVCJUUWTTICBQG-UHFFFAOYSA-N	318.826	1.272	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1c(C)nn(C)c1C)c1ccccc1	110337259	HKQRNLWGOLOONJ-CQSZACIVSA-N	314.389	1.992	50	20	DDGD	
Cc1nc(-c2ccccc2)ccc1C(=O)NNC(=O)CN(C)C	113426806	HVGGQRHMZFALDS-UHFFFAOYSA-N	312.373	1.380	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)CC2CCCC2)c1C	125840515	XYBYNIWAVXMCLI-UHFFFAOYSA-N	317.389	1.970	50	20	DDGD	
COc1cc(/C=C(/C#N)C(=O)NC2CC2)cc(OC)c1OC	215231965	TUYVIBIDNUDEMB-WDZFZDKYSA-N	302.330	1.898	50	20	DDGD	
O=C(NNC(=O)c1cccc2ccccc12)c1cc[nH]c(=O)c1	129022855	GLEODJYPNDOFDD-UHFFFAOYSA-N	307.309	1.603	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1ccc2ccccc2n1	181102626	NWDCFIGIJNVFGI-UHFFFAOYSA-N	302.334	1.814	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccc(Br)n1	188641457	VCLKUQNWCWFJHS-UHFFFAOYSA-N	303.116	1.627	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCO[C@H](c2ccco2)C1	120962633	LJBDWLMUNJSDOU-OCCSQVGLSA-N	323.393	1.235	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)[C@H]1CCCCO1	188189745	GWSCDJGOQAWOIA-SNVBAGLBSA-N	305.363	1.612	50	20	DDGD	
CC(C)Cc1ccc(CC(=O)NNC(=O)[C@@H]2CCCO2)cc1	42960035	DHEVNAYZOFIVCB-HNNXBMFYSA-N	304.390	1.754	50	20	DDGD	
CCO[C@@H](CCNC(=O)NNc1nc2ccccn2n1)C(C)C	189402310	KKQJRYQBQZRSNZ-LBPRGKRZSA-N	320.397	1.807	50	20	DDGD	
COC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1NC=C(C#N)C#N	131261956	SMDWEEYFNLNQQJ-SECBINFHSA-N	316.292	1.460	50	20	DDGD	
CC(C)CS(=O)(=O)CCC(=O)NNC(=O)CC1CCCC1	195209043	JRMPBARGURCVMB-UHFFFAOYSA-N	318.439	1.175	50	20	DDGD	
C[C@H](Oc1ccccc1Cl)C(=O)NNC(=O)c1ccncc1	192985897	DAEUSDGRAWYJAY-JTQLQIEISA-N	319.748	1.964	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=O)Cc2ccncc2)cc1	81016870	JCJJIUZQEFXCBQ-UHFFFAOYSA-N	312.329	1.044	50	20	DDGD	
CCn1nc(C)c(NC(=O)NNc2nccnc2OC)c1C	133422280	ORSIIVCOEJXDMN-UHFFFAOYSA-N	305.342	1.467	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2c[nH]nc2C)ccc1Cl	131623019	UGIUWEAIRAZKRQ-UHFFFAOYSA-N	308.725	1.455	50	20	DDGD	
O=C(C[C@@H]1CCCOC1)NNC(=O)c1cc(Cl)ccc1O	195247441	DYJNKYHMFBZVOB-VIFPVBQESA-N	312.753	1.623	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)o1	84160849	QOSYRXYTNBENIQ-JLLWLGSASA-N	307.350	1.346	50	20	DDGD	
CC(C)(C)n1cc(NC(=O)NNc2nc3ccccn3n2)cn1	192292282	UZSCOWZEJCIUBB-UHFFFAOYSA-N	314.353	1.829	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)O1	268365823	VCPPOMXQTSQZHX-KGLIPLIRSA-N	305.378	1.471	50	20	DDGD	
CC(C)(C)C(=O)Nc1nc(CC(=O)NNC(=O)C2CC2)cs1	266244422	QHJRFGXNZVFWSB-UHFFFAOYSA-N	324.406	1.228	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H](CCCO)c1ccccc1	265944200	LYTGJYFKNXZRDD-CQSZACIVSA-N	307.394	1.877	50	20	DDGD	
CC(C)(C)OC(=O)c1ccc(C(=O)NNC(=O)NC2CC2)cc1	271260523	KSFSIRUEBQQTSO-UHFFFAOYSA-N	319.361	1.748	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(N(C)C)cc1	276545094	JLAVKCRCYSORTQ-UHFFFAOYSA-N	323.393	1.303	50	20	DDGD	
O=C(NNC(=O)c1noc2c1CCCCC2)c1ccccn1	275582659	ZOFIKWFERICGOI-UHFFFAOYSA-N	300.318	1.413	50	20	DDGD	
CCc1c(C(=O)NNC(=O)OC)cnn1-c1ccc(OC)cc1	274595303	LBFSHXACQMALHF-UHFFFAOYSA-N	318.333	1.444	50	20	DDGD	
COC(=O)C(C)(C)c1ccc(NC(=O)NNC(=O)C2CC2)cc1	274113793	LYDOZSDHMYNPFL-UHFFFAOYSA-N	319.361	1.700	50	20	DDGD	
COCC[C@@H](NS(=O)(=O)CBr)c1ccco1	272796632	KDTPCJMLGQBBDF-MRVPVSSYSA-N	312.185	1.629	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)Cc2scnc2C)n1	279624840	HIACMDULMWYMJH-UHFFFAOYSA-N	319.390	1.641	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1C(=O)NNc1cccc(C(=O)OC)c1	280126202	GEQUIHWTGQONJU-ZIAGYGMSSA-N	304.346	1.898	50	20	DDGD	
CCC1(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)CC1	281406021	YYPVQDQQPGSDEB-UHFFFAOYSA-N	303.362	1.580	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccc(F)cc2)c(=O)cc1C	287042681	JQZCMKFKNGIJMK-UHFFFAOYSA-N	319.336	1.699	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@@H]1CCc2ccccc2OC1	374899222	DMPMSEGWCZCFAE-GFCCVEGCSA-N	314.345	1.353	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)Nc2ccccc2C)CC1	281196157	KSHSNOICEBANHY-UHFFFAOYSA-N	305.334	1.491	50	20	DDGD	
CC[C@H](C)[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	282365467	CAAQVIKLZOXHMH-NWDGAFQWSA-N	305.378	1.763	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	286315762	KQAACGDOUSBWBD-JGVFFNPUSA-N	302.252	1.937	50	20	DDGD	
CC(C)n1ccc(NC(=O)NNC(=O)Cc2ccccc2F)n1	280684241	GERNUHYRKGDBNZ-UHFFFAOYSA-N	319.340	1.999	50	20	DDGD	
COCCN(C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1	288382652	IXQISVOSRVXFQU-UHFFFAOYSA-N	319.321	1.004	50	20	DDGD	
O=C(CN1CCC[C@@H]1c1ncc[nH]1)NNC(=O)c1ccccc1	378494595	WWWJHKIDKSPKPV-CYBMUJFWSA-N	313.361	1.008	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)Nc1cnc2c(c1)COCC2	374900954	VTZFAFNRXNJCSA-UHFFFAOYSA-N	320.740	1.746	50	20	DDGD	
O=C(NNc1cccc2c1CCCC2)c1cc([N+](=O)[O-])[nH]n1	285917416	ZPAINSYGRRTLEX-UHFFFAOYSA-N	301.306	1.954	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C[C@@H]1CCC(=O)[C@H]1C	280120637	WUJIRZPUNOUJEN-RYUDHWBXSA-N	318.373	1.390	50	20	DDGD	
CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)NNc1ccncn1	296784030	WAQWVDKOXSKFTR-UHTWSYAYSA-N	307.398	1.942	50	20	DDGD	
CCc1c(C(=O)NNc2ncncc2F)cnn1C(C)(C)C	294178569	WQUDRKSTTQRDSG-UHFFFAOYSA-N	306.345	1.887	50	20	DDGD	
C[C@H](CBr)CN(C)CCCN(C)CCN(C)C	808781831	UAPRMIWRHUXLQR-CYBMUJFWSA-N	308.308	1.833	50	20	DDGD	
Cc1ccc2c(c1)nc(CNC(=O)NNc1ncccn1)n2C	802323657	LJHQUNGKNZLEKR-UHFFFAOYSA-N	311.349	1.498	50	20	DDGD	
CSSCCNC(=O)NCCN1CCC(N(C)C)CC1	807030603	LQFTYKLTZRJONC-UHFFFAOYSA-N	320.528	1.323	50	20	DDGD	
CO[C@@H](C)c1nsc(NC(=O)NNC(=O)c2ccccn2)n1	809925615	ODFBMQFLCFVAQH-ZETCQYMHSA-N	322.350	1.107	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)NCC1CCOCC1	299504128	KYMHFCXYAGGIMJ-UHFFFAOYSA-N	321.377	1.213	50	20	DDGD	
CS(=O)(=O)N1CCCN(/C(=C/C#N)c2ccccc2)CC1	297778536	GPRKKSISNLIFNZ-OVCLIPMQSA-N	305.403	1.518	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)COc2ccc(C#N)cc2)nn1	807947745	IBFHRGQEQVPNTJ-UHFFFAOYSA-N	312.333	1.260	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNS(=O)(=O)c2ccc(Cl)cc2)O1	295261566	YEOFETSAFUWVCD-KWQFWETISA-N	318.782	1.217	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)NCc2ccco2)o1	293041379	XFIHBPVUPYZBSM-UHFFFAOYSA-N	306.322	1.673	50	20	DDGD	
C[C@H](CCCc1ccccc1)C(=O)NNC(=O)[C@@H]1CCCO1	292266825	ZBYXWQOQJYSSDZ-HIFRSBDPSA-N	304.390	1.972	50	20	DDGD	
CS(=O)(=O)c1ccc(NC(=O)NN=Cc2cnccn2)cc1	807973426	CDGBAUCKYWHPML-UHFFFAOYSA-N	319.346	1.036	50	20	DDGD	
O=C(NNC(=O)C1(c2cccc(F)c2)CCOCC1)C1CC1	299171785	ULNKZLAYLTVIJI-UHFFFAOYSA-N	306.337	1.431	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(OCC(C)C)cc1	298613371	JGEJJVNYVWWKMV-UHFFFAOYSA-N	323.393	1.702	50	20	DDGD	
COc1ccnc(NNC(=O)c2ncccc2CSC)n1	810089848	AFQMKUNBHAPUJM-UHFFFAOYSA-N	305.363	1.500	50	20	DDGD	
O=C(NN=C1CCC(C(=O)O)CC1)c1ccc([N+](=O)[O-])cc1	814682506	MKZUJAOCXAKYED-UHFFFAOYSA-N	305.290	1.955	50	20	DDGD	
CC(=NNC(=O)CC1CC1)c1cc(S(N)(=O)=O)c(C)cc1C	814988867	AADIPBBFQNGEEM-UHFFFAOYSA-N	323.418	1.591	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1cccc(C(=O)O)c1Cl	814852141	LUIOFNFWJKARLF-UHFFFAOYSA-N	306.709	1.834	50	20	DDGD	
CCc1cnc(C=NNC(=O)COc2ccccc2O)s1	814951225	SQARHEFSFLKDGU-UHFFFAOYSA-N	305.359	1.940	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NN=Cc2cnn(C)c2N)c1	814718630	GKAFVXDMCKCIBX-UHFFFAOYSA-N	301.350	1.148	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC(C)(C)c1ccc(C)cc1C	813841319	IIJQAKNDBZOCBN-UHFFFAOYSA-N	321.421	1.948	50	20	DDGD	
CC(=NNC(=O)Cc1nc2ccccc2n1C)c1c[nH]nc1C	814737914	NLNFDOBEWOXCSP-UHFFFAOYSA-N	310.361	1.688	50	20	DDGD	
CCOc1ccc(NNC(=O)c2cnn3c2OCCC3)cc1	817921189	MEASCEUIFPJBKH-UHFFFAOYSA-N	302.334	1.821	50	20	DDGD	
CC(=O)N[C@@H]1CCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C1	817281986	AARILBRPUZKOMS-ZJNVBJFISA-N	300.318	1.670	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2cc(Cl)nc(Cl)c2)CC1	819743229	LTQBSJKRDREZEV-UHFFFAOYSA-N	303.149	1.358	50	20	DDGD	
CO[C@H]1CCC[C@@H](C(=O)NNC(=O)CCOc2ccccc2)C1	814407452	GJWXBTIRVBNJCR-HIFRSBDPSA-N	320.389	1.808	50	20	DDGD	
CCCC(=O)N1CSC[C@H]1C(=O)NNC(=O)C1CCCC1	727304197	GTCVXGNMVVORHW-NSHDSACASA-N	313.423	1.026	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CC[C@H](CC(=O)O)[C@H]1C	814864734	HXKVXTWPKLRCHP-GMTAPVOTSA-N	300.355	1.031	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)c1ccc2c(c1)OCO2	812447645	TWDSCRFJGJJTGE-UWVGGRQHSA-N	308.334	1.095	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cccc2ccccc12	728436518	GVPDWZCWGVKFQC-NSHDSACASA-N	319.386	1.228	50	20	DDGD	
COc1cccc(NNC(=O)c2sccc2-c2nn[nH]n2)n1	826217519	QDKKEVBOBRWPIQ-UHFFFAOYSA-N	317.334	1.089	50	20	DDGD	
CC1(C)OC[C@H](CNC(=O)/C(C#N)=C\c2ccc(O)cc2)O1	491157899	BGFCZPAMXBRZRZ-VDBIKXPHSA-N	302.330	1.567	50	20	DDGD	
CCCNC(=O)NNC(=O)C[C@@H]1CSc2ccccc2O1	825437605	INLKUKRUFOPXSZ-SNVBAGLBSA-N	309.391	1.670	50	20	DDGD	
O=C(/C=C\c1nc2ccccc2s1)NNC(=O)NC1CC1	491306090	RHHFERQOOVBSGE-FPLPWBNLSA-N	302.359	1.802	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)N[C@@H]1CO[C@@H](C)C1	828421244	OPRQPRVQDLGKRE-AAEUAGOBSA-N	321.377	1.136	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1cc(C)n(C)n1	497012569	BIDNABPVLQHXBX-UHFFFAOYSA-N	309.370	1.093	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc(Cl)nc(C(F)(F)F)c1	824627804	XDVCZLBBIORMCG-UHFFFAOYSA-N	310.663	1.670	50	20	DDGD	
CCCCCC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C	491547850	CJPPDEUCJHFPLQ-UHFFFAOYSA-N	316.402	1.422	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2Cc3cccc(C)c3O2)n1	826583978	CBWCSIUZTRFMCZ-GFCCVEGCSA-N	314.345	1.549	50	20	DDGD	
CN(C)C[C@@](C)(C=NNC(=O)c1ncon1)c1ccccc1	901287149	PGHHQSNZVPKLFM-OAHLLOKOSA-N	301.350	1.305	50	20	DDGD	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NCB(O)O	585060876	GERWWWNZXIGFNQ-UHFFFAOYSA-N	310.571	1.514	50	20	DDGD	
CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NCc1ccc(B(O)O)o1	585027581	BPDXYMCRVKRUPZ-ZUZCIYMTSA-N	323.585	1.479	50	20	DDGD	
CN(NS(=O)(=O)N(C)C1CCCCC1)C(=O)OC(C)(C)C	496428012	CNHMTTJQCLZHAL-UHFFFAOYSA-N	321.443	1.867	50	20	DDGD	
CCOc1c(Cl)cc(C(=O)NN(CC)CCO)cc1OC	823833699	GBQHSABECNOGRC-UHFFFAOYSA-N	316.785	1.706	50	20	DDGD	
CC(C)[C@@H]1CCCCCN1C(=O)c1ccc(B(O)O)c(F)c1	584972075	MNEROTIRVOLQFO-HNNXBMFYSA-N	307.174	1.546	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC1=N[C@H]2C=C[C@H]1C2	739401810	XMWKZOXWJPOTRG-RYUDHWBXSA-N	309.373	1.576	50	20	DDGD	
C[C@@H](c1ccco1)N(C(=O)c1cc(B(O)O)ccc1F)C1CC1	584934467	OOILHQQFRPWKOL-JTQLQIEISA-N	317.125	1.464	50	20	DDGD	
Cc1ccc(C)c(C2=NO[C@@H](C(=O)NNc3cccnn3)C2)c1	907330101	PQDXTMVWVBEMTE-CQSZACIVSA-N	311.345	1.730	50	20	DDGD	
CC[C@H](Cc1ccccc1)C(=O)NNC(=O)c1cnn(C)c1	735446463	ZTHBTEQYALFWID-CYBMUJFWSA-N	300.362	1.450	50	20	DDGD	
Cc1ccc(C2=NO[C@H](CNS(=O)(=O)CCl)C2)cc1	831398469	QCZRDAWACRPEBO-NSHDSACASA-N	302.783	1.604	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)CCNC(=O)OC(C)(C)C)c2nccn21	496305118	IHGZSVWZXPAXRH-SNVBAGLBSA-N	321.381	1.583	50	20	DDGD	
CN1CCN(C(=O)CCCC[C@H]2CCSS2)[C@H](CN)C1	834303854	QEBVIDXDLMITLV-OLZOCXBDSA-N	317.524	1.802	50	20	DDGD	
C[C@]1(C(=O)N2CCO[C@H](c3ncon3)C2)C[C@@H]1Br	907306118	HMOJPZXPGWLXFQ-LAEOZQHASA-N	316.155	1.143	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)[C@H]1CCCc2sccc21	833245838	AJFGDJYDRAFDFN-NWDGAFQWSA-N	308.403	1.885	50	20	DDGD	
Cc1cc(C)c(CNC(=O)NNC(=O)[C@H]2CCCCO2)cn1	836657393	RWEZGKSYSRALRC-CYBMUJFWSA-N	306.366	1.098	50	20	DDGD	
CCOCC(=O)NN=C1C(=O)Nc2c1cccc2C(F)(F)F	731154151	WBCYOXWHCQLHLH-UHFFFAOYSA-N	315.251	1.514	50	20	DDGD	
C[C@@H](CCNCc1ccc(B(O)O)cc1F)c1ccccc1	585038805	HVNNBJYBCNKTBV-ZDUSSCGKSA-N	301.170	1.789	50	20	DDGD	
O=C1CC[C@@H]2[C@H]1[C@@H]2C(=O)NNC(=S)Nc1cccc(Cl)c1	905111879	VRDDHQBLKMYMRB-YUSALJHKSA-N	323.805	1.883	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(CC2CC2)C(C)C)cc1	733793653	OUVGIYZONFZAEB-UHFFFAOYSA-N	303.406	1.876	50	20	DDGD	
C[C@H]1C[C@H](C)CN(CCCCNC(=O)NNc2cccnn2)C1	736379913	ZONRURYGYFUUGW-KBPBESRZSA-N	320.441	1.861	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCCCNC(=O)OC(C)(C)C	910152626	RACBZUQJWVTMAU-LLVKDONJSA-N	303.403	1.025	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H]2CCCCN2S(C)(=O)=O)c1	919810934	XLVKXVINFJPTOP-CYBMUJFWSA-N	311.407	1.252	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1cnc(-c2ccccc2)nc1	917539376	GUQFKCJMAMCKFH-UHFFFAOYSA-N	323.356	1.216	50	20	DDGD	
O=C(NN=C1CCC[C@@H](C2CC2)C1)N[C@H]1CCS(=O)(=O)C1	737430735	ZRGNWPGRJJVWDI-YPMHNXCESA-N	313.423	1.429	50	20	DDGD	
CC(C)(C(=O)NNC(=S)NCCCC(=O)O)c1ccccc1	736224026	TUJVYCZWWOWXKW-UHFFFAOYSA-N	323.418	1.324	50	20	DDGD	
CC1(C)C[C@@H]1CNC(=O)NNC(=O)c1ccc2c(c1)OCCO2	732826077	PYJNMHUUDOJKNJ-LLVKDONJSA-N	319.361	1.448	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2cc(C)cs2)n1	836582220	VYVFCFBOORECIK-UHFFFAOYSA-N	307.379	1.990	50	20	DDGD	
CC[C@@](C)(CNC(=O)NNC(=O)Nc1ccc(OC)cc1)OC	836578618	IMPZPMBLGQITKA-HNNXBMFYSA-N	324.381	1.846	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1CCc2ccccc21	916363279	SODVNFHKRTVDOC-ZDUSSCGKSA-N	301.390	1.421	50	20	DDGD	
O=C(NN=Cc1cn2ccccc2n1)[C@@H]1COc2ccccc2O1	918708377	YJNGYGRNCYNCAF-HNNXBMFYSA-N	322.324	1.624	50	20	DDGD	
COCCN(C)NC(=O)c1ccc2nc(C(F)(F)F)cn2c1	837624994	FLZFXMLYCFFQTA-UHFFFAOYSA-N	316.283	1.576	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2c[nH]nc2C)n1	915937484	PRUMMUFHBAKXHV-UHFFFAOYSA-N	304.379	1.367	50	20	DDGD	
CCCN1CCC[C@@H](C(=O)NNC(=O)c2cccc(F)n2)C1	912733259	OSOSRZBPJXRGEL-LLVKDONJSA-N	308.357	1.104	50	20	DDGD	
COc1ccc(CCC(=O)NN=Cc2cc(C)n(C)n2)cc1	841620310	GOESYFCEZQIZDR-UHFFFAOYSA-N	300.362	1.820	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ncoc1-c1ccccc1	747323277	QNGKRSRSIRBONM-UHFFFAOYSA-N	322.324	1.740	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc(N2CCC(O)CC2)cc1	746176979	XKQBNEUYAKEZNH-UHFFFAOYSA-N	320.393	1.000	50	20	DDGD	
CCN(CC)CCOc1ccc(C(=O)NNC(=O)C(C)C)cc1	917917353	KCRRBJJSEHPCTE-UHFFFAOYSA-N	321.421	1.824	50	20	DDGD	
Cc1ccccc1OCC(=O)NNC(=O)N=c1cc[nH]cc1	919896993	SCETUXPEEBYZDZ-UHFFFAOYSA-N	300.318	1.044	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2COC(C)(C)C2)cc1C	841613880	IAXHXVHGURLHGC-UHFFFAOYSA-N	303.362	1.913	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H](C[C@@H]1CCCO1)C(F)(F)F	845323190	IYKLMSYUNXFDLF-DTWKUNHWSA-N	311.304	1.473	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@](C)(O)[C@H](C)c1ccccc1	747384046	QNHOSBSJQZMYCG-HWPZZCPQSA-N	316.361	1.034	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1cc(Cl)c2c(c1)OCO2	842553318	FCXBKXGFUKLOGN-PSASIEDQSA-N	310.737	1.944	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1c(C(F)F)nc2n1CCCC2	910181512	BVMBFBVKXNFJHW-QMMMGPOBSA-N	302.325	1.114	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1ccc(F)cc1Cl	843654343	RBCLFBBQRUQDQH-KWQFWETISA-N	314.744	1.594	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)CSc1ccc(C)cc1	916140853	CGNVRGVTTSLBQQ-QWHCGFSZSA-N	308.403	1.660	50	20	DDGD	
CCN(CC)c1ccc(C=NNC(=O)C(=O)NC(C)C)c(O)c1	744812839	UDIJAIRDAVAKHX-UHFFFAOYSA-N	320.393	1.213	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(Oc2ccccc2)ccn1	744478439	ZMOOIUYAXVEEIM-UHFFFAOYSA-N	300.318	1.838	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F	742586337	WHOSHTYBNVIRJI-UHFFFAOYSA-N	324.356	1.774	50	20	DDGD	
C[C@@H](CCCN)NC(=O)NNC(=O)c1cc2c(s1)CCC2	841999872	QRVJBQHWVMHCJW-VIFPVBQESA-N	310.423	1.308	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccccc1CC(F)(F)F	841127913	QLFZKHVHCGMUDI-UHFFFAOYSA-N	318.299	1.683	50	20	DDGD	
O=C(NNc1ccc(Cl)c(F)c1)C1(C(=O)NC2CC2)CC1	746696188	VAJXZDJEKQYFLA-UHFFFAOYSA-N	311.744	1.981	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CCc2c(O)cccc21	740762857	LOWHUZHCQBYJQI-UHFFFAOYSA-N	303.362	1.464	50	20	DDGD	
C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)CC(C)(C)CCl	866865516	HMPJCDUNUCZVGG-RYUDHWBXSA-N	310.891	1.853	50	20	DDGD	
NNC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1	841802901	NTKYOAFPRBNVQM-LLVKDONJSA-N	300.765	1.616	50	20	DDGD	
CCNC(=O)NN=Cc1cc(C)c(OCC(=O)OC)c(C)c1	746493855	GYWHAXKMHNQHHY-UHFFFAOYSA-N	307.350	1.508	50	20	DDGD	
NCC[C@H](NC(=O)NNC(=O)c1ccccc1F)C(F)(F)F	841331940	BMKIULICVYSWIN-VIFPVBQESA-N	322.262	1.049	50	20	DDGD	
CC1(NC(=S)NNC(=O)CCN2CCCCCC2)CCC1	840702208	PTIZAZSRUKRTAF-UHFFFAOYSA-N	312.483	1.690	50	20	DDGD	
CC(C)[C@@H](N)CNC(=O)NNC(=O)c1cccc2ccccc12	841945121	XCGJBVJJPXSDLP-HNNXBMFYSA-N	314.389	1.767	50	20	DDGD	
Cc1c(NNC(=O)N[C@H](CN)CC(C)C)cccc1[N+](=O)[O-]	841954008	MUDCLDADHPLIQK-NSHDSACASA-N	309.370	1.903	50	20	DDGD	
COCCOc1ccccc1C=NNC(=O)[C@@H]1CCO[C@@H]1C	842554128	MZDBCBDICLOBGK-TZMCWYRMSA-N	306.362	1.587	50	20	DDGD	
CO[C@H](C=NNC(=O)Cn1ccc2ccccc21)[C@@H]1CCOC1	841624757	WZTXFJTWJONTPB-GDBMZVCRSA-N	315.373	1.795	50	20	DDGD	
CCONC(=O)CNC(=O)NNc1cc(Cl)cc(Cl)c1	845536860	AAWLZUPDABICFT-UHFFFAOYSA-N	321.164	1.687	50	20	DDGD	
CSCCNC(=S)NNC(=O)C1SCCCS1	841414476	FLRWKCHTHBKSCU-UHFFFAOYSA-N	311.523	1.041	50	20	DDGD	
C[C@]1(CN2C(=O)N[C@H](CC(F)F)C2=O)C[C@H]1Br	925005620	NHTUFUDDYKYOLY-OXOINMOOSA-N	311.126	1.736	50	20	DDGD	
Cn1ncc2cc(C(=O)NC[C@]3(C)C[C@@H]3Br)cnc21	857392354	AYZVMAHLEJGJBU-GWCFXTLKSA-N	323.194	1.872	50	20	DDGD	
O=C(CC(=O)NNc1ccc(Cl)cn1)NCC(F)(F)F	856093015	OIGFAZOANFHQNJ-UHFFFAOYSA-N	310.663	1.247	50	20	DDGD	
C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)CBr	758537041	CVZRTJUSLGLBNT-SECBINFHSA-N	313.261	1.331	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2ccc(Cl)nc2)c(C)nn1	759360021	JGFDPQHECYEVSY-UHFFFAOYSA-N	319.752	1.471	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccc(OC(C)C)cc1	755927815	UYIFPXVHKIKDED-UHFFFAOYSA-N	317.349	1.972	50	20	DDGD	
C[C@]1(CNC(=O)N2[C@H]3CC[C@H]2CC(O)C3)C[C@@H]1Br	856952909	FLGBQEKAPOWDKT-LKAMGYQZSA-N	317.227	1.857	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	753131555	VIKMHBZLBGFZRO-GFCCVEGCSA-N	321.377	1.495	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCOC2)c1C	854805239	HUSMKEJGLIEFMV-OQLLNIDSSA-N	303.362	1.475	50	20	DDGD	
O=C(NN=Cc1nc(Cl)cs1)C(=O)Nc1ccccn1	758116129	CBNFTRRCMGLQTJ-UHFFFAOYSA-N	309.738	1.280	50	20	DDGD	
COCCOc1ccccc1C=NNC(=O)Cc1cc(C)[nH]n1	751521250	NKLLHKVIWNAAPV-UHFFFAOYSA-N	316.361	1.436	50	20	DDGD	
O=C(NNC(=O)c1cccc(OC(F)F)c1)N[C@H]1CCOC1	752166975	CQLSUUMTZJCBRU-VIFPVBQESA-N	315.276	1.021	50	20	DDGD	
CCOCCn1cc(C(=O)NNc2ccnc(Cl)c2)cn1	857309129	GYGAUFGAFNEBJH-UHFFFAOYSA-N	309.757	1.725	50	20	DDGD	
O=C(NNc1cc(F)cc(Cl)c1)[C@H]1CN2CCCN1CC2	855618892	VGFFIZSRTOMTGN-CYBMUJFWSA-N	312.776	1.312	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNc2ccc(C(N)=O)nn2)cc1	757406426	AETJGVFGVQXLKH-UHFFFAOYSA-N	315.333	1.120	50	20	DDGD	
COc1ccc(Cl)cc1NC(=O)NNC(=O)c1cnccn1	755346621	BRXYUOWMOIVREC-UHFFFAOYSA-N	321.724	1.605	50	20	DDGD	
CCOC(=O)Nc1ccc(F)c(C(=O)NNC(=O)C(C)C)c1	929287077	HBEFVKLBQFGNJC-UHFFFAOYSA-N	311.313	1.811	50	20	DDGD	
COc1cc(C=NNC(=O)NCc2ccco2)cc(OC)c1O	920824670	DPSIDEKLUQWROF-UHFFFAOYSA-N	319.317	1.836	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=O)c2cccn2C)c(O)n1	929435036	LADUOCGJAQYVJY-UHFFFAOYSA-N	302.334	1.324	50	20	DDGD	
Cc1nnc(NNC(=O)CNc2ccccc2Cl)nc1O	750232873	KLQUZZUIOOCBFK-UHFFFAOYSA-N	308.729	1.094	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1c[nH]c(C(F)(F)F)c1)C1CC1	855097570	SZRWSZLPVKFOQL-LURJTMIESA-N	320.340	1.941	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ncccc2[N+](=O)[O-])s1	759290308	DEFTVPTTYDTPAV-UHFFFAOYSA-N	322.302	1.595	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C23CCC(CC2)C3)c1O	753416773	MTQLAZIPJVDHTO-UHFFFAOYSA-N	304.346	1.742	50	20	DDGD	
O=C(NNC(=O)[C@@H]1OCCc2ccccc21)OCC(F)(F)F	856021907	MKQXRGZXEDKZBL-SNVBAGLBSA-N	318.251	1.620	50	20	DDGD	
C[C@]1(CCC(=O)NNC(=O)c2cccc(Cl)c2)CCC(=O)N1	753375851	ALIDQDLVMCADHO-OAHLLOKOSA-N	323.780	1.550	50	20	DDGD	
Cc1cccc(C)c1C=NNC(=O)Cc1cc(O)nc(O)n1	755753566	KZPUGLRZUJNRIN-UHFFFAOYSA-N	300.318	1.197	50	20	DDGD	
CC(C)(C)n1nnc(CC(=O)NNc2ncccc2Cl)n1	857127129	KKMQNALMCFJDAF-UHFFFAOYSA-N	309.761	1.162	50	20	DDGD	
C#CCOCCNC(=O)NNc1ccccc1C(F)(F)F	753377686	IGWISQRGZSIDIH-UHFFFAOYSA-N	301.268	1.981	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)COc2ccc(C)c(C)c2)O1	756900916	DESOUYPHZVLRDN-ZFWWWQNUSA-N	320.389	1.787	50	20	DDGD	
Cc1ccc(NNC(=O)C2=NN3CCCN=C3N2)c(Cl)c1	854843594	SVWGGRLPKLRJMK-UHFFFAOYSA-N	306.757	1.070	50	20	DDGD	
COCCN(C)NC(=O)c1cccn2cc(C(F)(F)F)nc12	854409535	HSLZOSRWNLESCT-UHFFFAOYSA-N	316.283	1.576	50	20	DDGD	
Cc1cc2c(cc1NC(=O)NNC(=O)CC(F)(F)F)OCO2	757979780	XCWUQCZWPZVVBW-UHFFFAOYSA-N	319.239	1.829	50	20	DDGD	
Cc1nn(C(C)(C)C)c(C)c1C=NNC(=O)CN1CCCC1=O	755586108	FKNXNZNCYFTELJ-UHFFFAOYSA-N	319.409	1.327	50	20	DDGD	
Cc1noc(C)c1[C@H](C)NCC(=O)NNC(=O)c1cccs1	754156532	AWRSJGQOTNUPKF-QMMMGPOBSA-N	322.390	1.465	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)C(=O)NNC(=O)C(C)C)c1	763832692	PHGOFDWKWDDPQC-UHFFFAOYSA-N	313.741	1.091	50	20	DDGD	
Cc1cocc1C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	863904309	MMVRYBHLCKIHDN-UHFFFAOYSA-N	311.338	1.264	50	20	DDGD	
O=C(NNS(=O)(=O)c1cncc(Cl)c1)C1CCCC1	768266375	BVOVUPAYRUZYGX-UHFFFAOYSA-N	303.771	1.235	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccnc1)c1cccc([N+](=O)[O-])c1	761390880	KZXZKCDYHGZUBI-JTQLQIEISA-N	314.301	1.555	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C2CCCC[C@@H]2N2CCCCC2)N1	863149431	ZQPRHJCFRGRGPE-KGLIPLIRSA-N	306.410	1.166	50	20	DDGD	
COCc1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)cc1F	868619894	VZEFNADZNXJYFA-ZDUSSCGKSA-N	310.325	1.302	50	20	DDGD	
COc1ccccc1C/C(C)=C/C(=O)NNC(=O)C(C)(C)O	768254805	DNSKENHFKZPFCP-ZHACJKMWSA-N	306.362	1.102	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=C2CC3(CCC3)Oc3ccccc32)N1	863148699	IKOCIQGOWPKGCQ-LBPRGKRZSA-N	313.357	1.491	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C1CC[C@H](NC(=O)OC(C)(C)C)C1	863093833	CRBXOEZOCFZITD-JTQLQIEISA-N	321.381	1.881	50	20	DDGD	
COc1cccc(COCC(=O)NNc2ncc(F)cn2)c1	760909219	YROZODXDIOKAAK-UHFFFAOYSA-N	306.297	1.284	50	20	DDGD	
CN1C(=O)CC[C@H]1C(=O)NNc1nc2ccccc2[nH]c1=S	862292928	KPCPQUYQOOZKQI-JTQLQIEISA-N	317.374	1.356	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)CCc2ccc(F)cc2)n[nH]1	867068472	OODAGORTSUAXMU-SNVBAGLBSA-N	318.352	1.887	50	20	DDGD	
CCCc1ncc(C(=O)NNC(=O)Cc2cc(C)[nH]n2)s1	869014784	XFAYHTHEEKSFDX-UHFFFAOYSA-N	307.379	1.131	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)c1cn(C2CC2)nn1	862184805	GVNZKMJBHPMOIO-UHFFFAOYSA-N	306.257	1.417	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(C)NC(=O)OCc1ccccc1	862286964	DZTWEPHBJYXPER-QBFSEMIESA-N	303.318	1.730	50	20	DDGD	
CCC(Cc1ccc(Cl)cc1)=NNC(=O)CS(C)(=O)=O	863184156	UYIQUFQJQMUPIX-UHFFFAOYSA-N	316.810	1.809	50	20	DDGD	
Nc1cc(C(=O)NNc2nc3ccccc3[nH]2)cc(Cl)n1	768507040	LFKZGRGLLWFAEI-UHFFFAOYSA-N	302.725	1.950	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NOCC(F)(F)F	765989744	BSHNLSZUUXSPQN-UHFFFAOYSA-N	309.219	1.193	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NN=C1CCN2CCC[C@@H]12	765562426	HDVPAZSZSQBGES-FZMZJTMJSA-N	305.353	1.933	50	20	DDGD	
CCC1(CC)[C@H](NC(=O)NN(C)C(=O)OC)[C@H](C)[C@H]1OC	875447230	MZHZMIIBKVJECS-HBNTYKKESA-N	301.387	1.739	50	20	DDGD	
O=C(NCCN1CCOCC1)NNc1cccc(F)c1Cl	874984033	HZCPWBITFQGAHV-UHFFFAOYSA-N	316.764	1.437	50	20	DDGD	
O=C(CCCc1nn[nH]n1)NNc1ccccc1C(F)(F)F	873925331	OWRMGINCZWHYKO-UHFFFAOYSA-N	314.271	1.685	50	20	DDGD	
CCC(=O)NNC(=O)Nc1nnc(-c2ccc(OC)cc2)s1	775837792	OXQZWNLXCGXCGK-UHFFFAOYSA-N	321.362	1.776	50	20	DDGD	
Cc1ccc([C@@H](NC(=O)NNC(=O)c2cn[nH]c2)C2CC2)cc1	875037790	BSYVOAQWSQSNJJ-CQSZACIVSA-N	313.361	1.813	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C2(CN(C)C)CC2)c1	873771591	DVFJUVZMZRSBML-UHFFFAOYSA-N	319.405	1.171	50	20	DDGD	
C[C@H]1CN(C[C@@H](C)C(=O)NN=Cc2ccc(F)nc2)C[C@@H](C)O1	777429441	KUUFSNAPJKWGNU-UPJWGTAASA-N	322.384	1.416	50	20	DDGD	
Cn1c(C(=O)NNc2cc(Cl)nc(N)n2)cc2ccccc21	779373388	KEOIAZULVKTBPW-UHFFFAOYSA-N	316.752	1.961	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1CCc2ccc(Cl)cc21	875903291	IBEJHMAIBPMBOI-GFCCVEGCSA-N	311.769	1.694	50	20	DDGD	
CCC(CC)n1nc(C(=O)NNC(=O)c2c[nH]nc2C)cc1C	776475784	NETLROGLJFFPSX-UHFFFAOYSA-N	318.381	1.659	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1ncnc2ccsc12)[C@@H]1CCCO1	773557251	IGPJREQPNQZLRQ-KOLCDFICSA-N	317.374	1.498	50	20	DDGD	
C#C[C@H](NC(=O)NNc1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1	776228506	QKFKDXKJEXMEQW-STQMWFEESA-N	304.306	1.402	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCSC[C@@H]2C)c1	777588625	KELMSGCBAXYEOD-LBPRGKRZSA-N	307.419	1.193	50	20	DDGD	
COc1ccc(NC(=O)NNc2ncc(F)cn2)cc1OC	775427092	IBQNKFJTXPHZRI-UHFFFAOYSA-N	307.285	1.782	50	20	DDGD	
COCCC[C@H](C)C(=O)NNC(=O)COc1ccc(C)c(C)c1	777971340	XGDVJIBTVTUHGA-ZDUSSCGKSA-N	322.405	1.892	50	20	DDGD	
CC(=O)N1CCC(=NNC(=O)c2ccncc2)c2ccccc2C1	778533100	SWHQILWKXLAPKN-UHFFFAOYSA-N	322.368	1.968	50	20	DDGD	
CC1(C)CCC[C@@H]1C(=O)OCC(=O)NNC(=O)c1cccs1	772602596	OMMXIRBZZRONLG-SNVBAGLBSA-N	324.402	1.879	50	20	DDGD	
O=C(CNC(=O)Nc1ccccc1)NNc1cc(Cl)ccn1	778447139	DQSKVRNDQWZXTQ-UHFFFAOYSA-N	319.752	2.000	50	20	DDGD	
COc1ccc(NNC(=O)Nc2cc(CN(C)C)ccn2)nc1	880601289	RRTFOVUJXGTZAJ-UHFFFAOYSA-N	316.365	1.695	50	20	DDGD	
C[C@H]1CCCN(CCNC(=O)NNc2ccc(C#N)cn2)C1	887705441	OMHOMMHOGLUEFL-LBPRGKRZSA-N	302.382	1.311	50	20	DDGD	
Cc1cnn(CC(=O)NNC(=O)NCc2ccc(Cl)cc2)c1	787436003	HEJKXYDKKIGRLT-UHFFFAOYSA-N	321.768	1.376	50	20	DDGD	
Cc1nc(-c2ccccc2NC(=O)NNC(=O)C(C)C)no1	782554763	CKGHPPYCLKUSGK-UHFFFAOYSA-N	303.322	1.854	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1ccc(-c2cnn(C)c2)nn1	788786498	HGPJVUFDNHEEHU-UHFFFAOYSA-N	324.348	1.729	50	20	DDGD	
CN([C@H](CO)Cc1ccccc1)S(=O)(=O)CCCCl	882383978	WUZPXWIFCAUYJE-ZDUSSCGKSA-N	305.827	1.481	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1ccc2c(c1)OC(F)(F)O2	887150463	LNXSHCLXOUVYTF-UHFFFAOYSA-N	324.283	1.502	50	20	DDGD	
COc1ccccc1CCC(=O)NNC(=O)C1CCOCC1	883059196	OHJHOESWBGFEHV-UHFFFAOYSA-N	306.362	1.202	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cccc(C(F)F)c1	780376641	YMISTLQHXJZEAY-MRVPVSSYSA-N	306.334	1.980	50	20	DDGD	
COC(=O)C[C@@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C1CC1	787416123	HKYRWMZDGDBBEF-JEMSNHSXSA-N	314.341	1.757	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CC[C@H](C)C2)cc1	780801573	XRGYPZMUZBYEOH-QWHCGFSZSA-N	305.378	1.893	50	20	DDGD	
O=C(NN=Cc1nc2ccccn2c1Br)C(F)F	782238379	RLJFPGSYPYZRFJ-UHFFFAOYSA-N	317.093	1.812	50	20	DDGD	
CC[C@H]1CCCCN1CCNS(=O)(=O)CBr	782445321	UQXCVWGBYIYDFY-JTQLQIEISA-N	313.261	1.523	50	20	DDGD	
CN(C)CCn1ccc(NC(=O)NNc2ncncc2Cl)n1	782050836	NUUZOKMZXSMXIX-UHFFFAOYSA-N	324.776	1.037	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)c1cc(C)nn1C	789004537	IHFJHDMOPKVCME-UHFFFAOYSA-N	319.390	1.060	50	20	DDGD	
CSc1nsc(NC(=O)NNc2ncncc2Cl)n1	782051108	UNPCBJVKTVMTAN-UHFFFAOYSA-N	317.787	1.852	50	20	DDGD	
CCc1onc(C)c1NC(=O)C(=O)NNc1ccc(Cl)nc1	784875845	YWHDINDVIVLZPK-UHFFFAOYSA-N	323.740	1.676	50	20	DDGD	
COc1ccc(CC(=O)NNc2ccc(-n3ccnc3)nn2)cc1	788178480	PJUBYFDLDNNECO-UHFFFAOYSA-N	324.344	1.357	50	20	DDGD	
CC[C@@H]1C[C@H]1NC(=O)NNC(=O)c1nnc(O)c2ccccc12	798120639	PMQGVYXTNOJYAH-LDYMZIIASA-N	315.333	1.078	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)COc1ccc(C)c(C)c1)C1CC1	792015610	ZNLWYSBYBKOVTQ-OAHLLOKOSA-N	306.362	1.255	50	20	DDGD	
C#CCOc1cccc(NC(=O)C(=O)NNc2ncccc2C)c1	792375039	DRBOTTDHOAVTAO-UHFFFAOYSA-N	324.340	1.484	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1cc(C)on1	790288638	SVZINWZKKFZXRX-AWEZNQCLSA-N	301.302	1.663	50	20	DDGD	
CCc1occc1C(=O)NNC(=O)COc1ccc(F)cc1	797610147	HVOXVSZDLICLPD-UHFFFAOYSA-N	306.293	1.821	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C1(O)CCCCC1	792797949	JEIKSEVUWARRNL-UHFFFAOYSA-N	306.362	1.080	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ccn(CC(F)F)n1	790881649	CPVWROYHYDJILK-UHFFFAOYSA-N	312.236	1.208	50	20	DDGD	
N#Cc1cccc(NNC(=O)[C@H]2COCCN2C2CCCC2)c1	793705950	UMFSIRYQAUHCSP-MRXNPFEDSA-N	314.389	1.645	50	20	DDGD	
CC(C)Cc1ncc(NC(=O)NNC(=O)CC(F)(F)F)cn1	791948743	HHMBWEJNOJWVAM-UHFFFAOYSA-N	319.287	1.780	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H](C)c1c(F)cccc1Cl	1319160194	PAEJKGLNRPHHLE-LURJTMIESA-N	317.704	1.044	50	20	DDGD	
O=C(CCN1CCCCCC1)NNC(=S)NCC1CCC1	1318380219	YWNLLAQJPPOLIS-UHFFFAOYSA-N	312.483	1.548	50	20	DDGD	
O=C(NN=Cc1cnc2ccccc2n1)c1n[nH]c2c1CCCC2	1317741648	PQFCTPRKXLAKMO-UHFFFAOYSA-N	320.356	1.996	50	20	DDGD	
C[C@]1(CNC(=O)c2ccc(C(=O)O)cn2)C[C@H]1Br	1329507827	VSTZCGXKTUGMTN-BXKDBHETSA-N	313.151	1.683	50	20	DDGD	
COC(=O)c1cccc(C=NNC(=O)Cc2cc(C)[nH]n2)c1	1322546365	HXIZSRZEEUMQTN-UHFFFAOYSA-N	300.318	1.198	50	20	DDGD	
Cc1ccc(O[C@@H](C)C(=O)NNc2nncc(N)c2Cl)cc1	1333506596	BDGRPOXQWPXNNK-VIFPVBQESA-N	321.768	1.931	50	20	DDGD	
Cc1cccc2nc(C(=O)NNC(=O)c3cccc(C#N)c3)cn12	1338541752	AFXFMOHLQHURPX-UHFFFAOYSA-N	319.324	1.589	50	20	DDGD	
CC(=NNC(=O)C1CCOCC1)c1ccc(-n2cncn2)cc1	1333213875	CAWMLKULJCSXBJ-UHFFFAOYSA-N	313.361	1.534	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1nccc(Cl)c1F	1339052707	BJTZRKOXLXQQEN-UHFFFAOYSA-N	304.778	1.782	50	20	DDGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)[C@]1(F)CCOC1	1332255406	CIPQJYQBIMZUTH-LBPRGKRZSA-N	317.773	1.786	50	20	DDGD	
Cc1cc(=NNC(=O)c2nn(C)c(C)c2Br)cc[nH]1	1347131629	CLVAJOUGZMVSBD-UHFFFAOYSA-N	324.182	1.373	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@H]2CCCCN2C)c1	1341975572	PLKBBUMWUPWFTQ-LLVKDONJSA-N	310.423	1.485	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@@H]2C[C@H](C)O[C@@H]2C)cc1	1348482920	NUPGKXGXFWZNLV-LOWVWBTDSA-N	321.377	1.453	50	20	DDGD	
CC(=O)c1cn(CC(=O)OC[C@@]2(C)C[C@@H]2Br)nn1	1526044764	MRGWURHBWMYGBB-GXSJLCMTSA-N	316.155	1.197	50	20	DDGD	
CC[C@@H](CNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C)C(=O)O	1603549859	FWIVBMDVWQTVKV-LEBPBNDJSA-N	314.345	1.339	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCS1)c1ccc(C(=O)O)c(F)c1	1601553883	YKEGNGSAFNXXRS-SNVBAGLBSA-N	312.322	1.181	50	20	DDGD	
O=C(O)CCCNC(=O)NNc1ccc2c(=O)[nH]ccc2c1	1601991751	UUWVUGCTNTXMDF-UHFFFAOYSA-N	304.306	1.019	50	20	DDGD	
CCc1nc(C)ncc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1604554850	PZOAHAGXTCMGLU-UHFFFAOYSA-N	324.348	1.284	50	20	DDGD	
C[C@]1(CCC(=O)NNc2ccc(C(=O)O)cc2F)CCC(=O)N1	1609822700	POCSXVRBCPSZIW-OAHLLOKOSA-N	323.324	1.416	50	20	DDGD	
Cn1c(C(=O)O)ccc1C(=O)NNc1ccc([N+](=O)[O-])cc1F	1608083021	AUNXDQLCNZQLKE-UHFFFAOYSA-N	322.252	1.528	50	20	DDGD	
CSCC1(CC(=O)NNc2ccc(-c3nn[nH]n3)cn2)CC1	1605377730	VUZJUWRKJZJRNH-UHFFFAOYSA-N	319.394	1.238	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cccc(-n3ccnn3)c2)c1	1602450247	QNQUICITQRIANE-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)C(=O)NNc1ccc(F)c(C(=O)O)c1	1604242239	WWBGOSICUIBLRH-SECBINFHSA-N	320.324	1.579	50	20	DDGD	
Cn1cc(C(=O)O)c(NC(=O)NNc2ccc(Cl)cn2)n1	1608104192	ZCNOGPONFSVTLM-UHFFFAOYSA-N	310.701	1.315	50	20	DDGD	
COc1ccnc(NNC(=O)CC2(CC(=O)O)CCCC2)n1	1607350954	UTDAHKQNETYAHO-UHFFFAOYSA-N	308.338	1.354	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cc(C(=O)O)c2cc[nH]c2c1	1603705985	IWLSFNIQXULCPH-UHFFFAOYSA-N	304.306	1.675	50	20	DDGD	
COc1ccc(Cl)c(NNC(=O)[C@H]2CN3CCN2C[C@@H]3C)c1	1548673054	YTALYWWNHJYFQU-IINYFYTJSA-N	324.812	1.180	50	20	DDGD	
O=C(NN=Cc1cc2cnccc2o1)[C@@H]1CN2CCC[C@H]2CO1	1549315481	PEYIZWRVSAWWMJ-WFASDCNBSA-N	314.345	1.141	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@H]2CCc3n[nH]cc3C2)c1	1610848817	UYXVMXQHTWFCNW-SECBINFHSA-N	300.318	1.356	50	20	DDGD	
CO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(Cl)Cl	1802347817	SZJMITFJNJIAQI-DOLQZWNJSA-N	323.220	1.463	50	20	DDGD	
CCn1cc([C@H]2OCC[C@H]2C=NNC(=O)c2cccnn2)cn1	1552928180	YUZCQZONBRJZOE-FZMZJTMJSA-N	314.349	1.186	50	20	DDGD	
Cc1ccc(-c2ccsc2C(=O)NNC(=O)[C@H]2CCN2)cc1	1579648505	IQBMQHPQZLEVQT-CYBMUJFWSA-N	315.398	1.846	50	20	DDGD	
COCCN(CC(C)C)NC(=O)c1cnn([C@@H]2CCCNC2)c1	1579026608	UCTWBLQSRYEKGZ-OAHLLOKOSA-N	323.441	1.057	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)CCCc1ccccc1)[C@H](C)N	1575414681	QSAZKYVLKMYBHB-BBRMVZONSA-N	305.422	1.776	50	20	DDGD	
C[C@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)n1cccn1	1589792603	GURDIFMHYKZHCF-SNVBAGLBSA-N	312.337	1.158	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)C1(C(=O)O)CCSCC1	1588976073	LYWQYJVVASYUAN-UHFFFAOYSA-N	324.406	1.641	50	20	DDGD	
C/C=C/C(=O)N1CC2(CCCN2C(=O)[C@H](F)Br)C1	1845220008	VALUIFOLWOMVNX-YWNRKNDBSA-N	319.174	1.456	50	20	DDGD	
C=CC[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl	1847562467	FNODLPBEQACMKZ-ZDEQEGDKSA-N	314.813	1.000	50	20	DDGD	
COC/C(C)=C\C(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1599155841	PAQUMEMUTNCRSN-UITAMQMPSA-N	313.379	1.173	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H](C)S)C2	1845167798	VEAAUFAXZVEOCC-UWVGGRQHSA-N	304.843	1.526	50	20	DDGD	
CNc1ccc(C(=O)NNc2ccc(C(=O)O)cc2OC)cn1	1598678368	LPBCBZPEMCWTHI-UHFFFAOYSA-N	316.317	1.587	50	20	DDGD	
C[C@@H]1[C@H](NC(=O)NNc2ccc(CC(=O)O)cc2)CCN1C	1594190542	IXPSEUAFQXZBKZ-ZWNOBZJWSA-N	306.366	1.032	50	20	DDGD	
CC[C@@H]1[C@@H](C(=O)NNc2cccc(F)c2C(=O)O)CCN1C	1597308946	ICKFDTADYSJIJO-JOYOIKCWSA-N	309.341	1.697	50	20	DDGD	
COC(=O)[C@@H]1C[C@H](C(=O)O)CCN1C[C@@H](C)CBr	1598750221	JXOAXHQTKOGPTA-AEJSXWLSSA-N	322.199	1.356	50	20	DDGD	
Cc1nccc(CCC(=O)NNc2ccc(-c3nn[nH]n3)cc2)n1	1592415565	CXUUTNCFEAEIKK-UHFFFAOYSA-N	324.348	1.041	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)Nc1c[nH]c2nccc-2c1	1594781862	VVSPPUGSRVUKAQ-UHFFFAOYSA-N	312.289	1.756	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cc(C#N)ccc1C(=O)O	1776082174	BGVAOBGFTHSNOS-JOYOIKCWSA-N	301.302	1.132	50	20	DDGD	
COc1cc(C(=O)O)ccc1C=NNC(=O)[C@@H]1CCO[C@@H]1C	1776082275	GVYLYOZZZDSDAK-BXKDBHETSA-N	306.318	1.269	50	20	DDGD	
O=C(O)c1ccc2scc(C=NNC(=O)c3ncon3)c2c1	1776106222	VBGKJHNHNRAIJC-UHFFFAOYSA-N	316.298	1.746	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1ccc(C#N)[nH]1	160817813	WUEIHXHXCRKLOW-UHFFFAOYSA-N	312.329	1.289	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccccc1N1CCCCC1	155506979	KMLUHGNUOSALQV-UHFFFAOYSA-N	319.409	1.391	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](C(C)C)N2CCCC2=O)nc1	159311989	WOFBKAHFCNHCAA-CQSZACIVSA-N	306.366	1.180	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCCN1CCc2sccc2C1	159130655	ZQIZBEFFCJNYFD-QBFSEMIESA-N	305.403	1.666	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNc1ccc(OC)cn1	159563569	PFJPPKLOERRSHV-UHFFFAOYSA-N	304.350	1.889	50	20	DDGD	
COc1ccccc1CCNS(=O)(=O)CBr	220123880	VKMWJFNGSUCZFZ-UHFFFAOYSA-N	308.197	1.510	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)Cc1ccoc1	119199608	JOOHNLOJVDSGBM-JTQLQIEISA-N	306.293	1.576	50	20	DDGD	
C[S@](=O)c1ccc(C(=O)NNc2ccc(Cl)nn2)cc1	173704174	DXBNSLHTZAYBDX-FQEVSTJZSA-N	310.766	1.624	50	20	DDGD	
Cc1nscc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	179664254	NHEVKFMANJLMKS-UHFFFAOYSA-N	306.303	1.435	50	20	DDGD	
C#Cc1cccc(N(C)[C@H](C)C(=O)NNC(=O)CC(C)C)c1	111219227	HYPDQJRGDZJCPT-CYBMUJFWSA-N	301.390	1.686	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2ccc(F)cc2)cc1F	25454038	HHUPJQMLLKRNAT-UHFFFAOYSA-N	320.295	1.977	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1noc2c1CCCC2	109144505	JSRGIHAYXHTVQE-UHFFFAOYSA-N	315.329	1.637	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O	65189292	MBINBXOCGRKFTD-NSHDSACASA-N	324.768	1.043	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccc(C#N)cc1)c1ccccc1	61462374	RZUAYWHNFLJRLA-UHFFFAOYSA-N	308.341	1.456	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C(F)(F)C(F)F)cc1	175726337	OLYRCPYLHOWQKN-UHFFFAOYSA-N	308.231	1.422	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)NCC2CC2)cc1OC	65197967	WCNKQUAASNJCBQ-SOFGYWHQSA-N	319.361	1.457	50	20	DDGD	
Cc1cc(NNC(=O)CCn2ccnn2)ccc1Br	179029507	MQQACOVOBHBXIR-UHFFFAOYSA-N	324.182	1.882	50	20	DDGD	
Cn1c(C(=O)NNC(=O)c2cccc3ncccc23)cccc1=O	119166637	PFKUEMNWSMPLKF-UHFFFAOYSA-N	322.324	1.008	50	20	DDGD	
N#CCCN(Cc1cccnc1)S(=O)(=O)CBr	127065778	HFULOOHFQUMUCQ-UHFFFAOYSA-N	318.196	1.479	50	20	DDGD	
O=C(CN1C(=O)c2ccccc2C1=O)NNc1ccc(F)cc1	66282078	QYZKMZLWGDDEGG-UHFFFAOYSA-N	313.288	1.565	50	20	DDGD	
Cc1nccn1CCCCNC(=O)NNc1ccc(Cl)nn1	173433296	OLYSXYDRSLTIOG-UHFFFAOYSA-N	323.788	1.741	50	20	DDGD	
C[C@H](C(=O)NNc1ccc([N+](=O)[O-])cc1Cl)S(C)(=O)=O	125890767	BNISXDNGWJXZIB-ZCFIWIBFSA-N	321.742	1.124	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc3c(c2)N(C)CC3)n1	121245886	GIQVDUHXCMPYHT-UHFFFAOYSA-N	314.349	1.626	50	20	DDGD	
N#C/C(=C\c1ncc(I)s1)C(=O)O	306369497	LVOSQQIDJIUZEV-DAFODLJHSA-N	306.084	1.739	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)[C@H](O)C1CCCCC1	187670070	JXWUZLJCLHNWHD-GFCCVEGCSA-N	317.349	1.516	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(Cl)ccn1)N1CCSCC1	182947737	RNKKPKZZXGZPNE-VIFPVBQESA-N	300.815	1.615	50	20	DDGD	
C[C@@H](CC(=O)NNc1cccnn1)NC(=O)C1CCCCC1	77030590	MXERMDPKDXLMII-NSHDSACASA-N	305.382	1.395	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)Cn2ccc3ccccc32)no1	74581694	LWSCQLPAFJQENH-UHFFFAOYSA-N	312.329	1.328	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCCN(CC)CC)cc1	125532309	YGTASDDQEZILGU-UHFFFAOYSA-N	320.437	1.925	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccccc1-n1ccnn1	183704710	LNJHLWJDBCURDW-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1cnc2ccccc2c1	180966344	NPFWCUFQCWQAFN-UHFFFAOYSA-N	314.345	1.367	50	20	DDGD	
CC(C)(C)[S@](=O)CCNC(=O)/C(C#N)=C\c1ccc(O)cc1	188478641	KNVBJDJGYPKZKJ-VPAPRSNLSA-N	320.414	1.963	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)C(C)(C)C)cc1[N+](=O)[O-]	77708882	GKQFUNFJDHTKPM-UHFFFAOYSA-N	315.351	1.259	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	46568981	GGDPDDSTTWUAJH-UHFFFAOYSA-N	305.363	1.128	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)c2ccc(C)o2)cc1F	84142841	GVZYKYBCQVRHIZ-UHFFFAOYSA-N	321.308	1.880	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1	44716225	ZNLIPJHQXRZZLE-UHFFFAOYSA-N	317.732	1.514	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)C1=Cc2ccccc2OC1	190285019	LNVRHRMSKXXDFA-UHFFFAOYSA-N	324.402	1.807	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cncc(Br)c1	49477176	SCBUPFZMZXKNAG-UHFFFAOYSA-N	301.144	1.197	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Cc1cccc(F)c1F	87357547	YATLCWDOOVUKDD-UHFFFAOYSA-N	305.284	1.292	50	20	DDGD	
O=C(NNC(=O)C1(O)CCCC1)c1cc(-c2ccccc2)on1	86559794	DYZGQLTYIFDMOC-UHFFFAOYSA-N	315.329	1.408	50	20	DDGD	
CN(C)C(=O)NNC(=O)CCCOc1ccc(F)cc1F	194940294	ASLUHCWSDUYVFC-UHFFFAOYSA-N	301.293	1.426	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c1O	249740466	IIWZCZLUYAWIDG-SDDRHHMPSA-N	318.373	1.988	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1ccccc1CS(C)(=O)=O	255062074	GFTVSLKIRCBEPL-UVTDQMKNSA-N	322.386	1.291	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)C1CCC1)N(C)c1ccccc1	264732381	JKQXXGQXHYRLKN-GFCCVEGCSA-N	304.394	1.642	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCO[C@@H](C)[C@H]1C	268826867	BFZATSABNDLRED-MNOVXSKESA-N	307.350	1.159	50	20	DDGD	
CSSCCNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1	367416231	UGQYWJBUOUXYOE-SNVBAGLBSA-N	302.465	1.905	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CC[C@H](n2cncn2)C1	364475886	HYQLNINTKCKYQV-VHSXEESVSA-N	315.215	1.861	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@H]1CCO[C@@H](C)C1	271816676	BXJCCHMWCKHNJR-RYUDHWBXSA-N	321.377	1.070	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C	276730111	VIMOWDZCICCZDK-CHWSQXEVSA-N	319.409	1.806	50	20	DDGD	
Cc1cc(N2C[C@@H](C(=O)NN)CC2=O)ccc1Br	270186097	AYTUZXFVECBHAL-QMMMGPOBSA-N	312.167	1.100	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1noc(-c2ccccc2F)c1C	370617996	LZPFEEDNIAGWIU-UHFFFAOYSA-N	322.296	2.572	50	20	DDGD	
COc1cccc(OC)c1OC[C@@H](O)CN1CC=C(C#N)CC1	270909990	CDLOGXZNYFIJJM-AWEZNQCLSA-N	318.373	1.599	50	20	DDGD	
N#CC1=CCN(CCC(=O)NC(=O)NCc2ccccc2)CC1	272706294	XCVVIXPKMMOEIB-UHFFFAOYSA-N	312.373	1.558	50	20	DDGD	
CCc1n[nH]c(C(=O)NN(C)C(=O)OC)c1Br	286227051	FXHFQPYQYYSHBB-UHFFFAOYSA-N	305.132	1.078	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	377029845	NEEQQLJLLSMNCK-HXFLIBJXSA-N	309.288	1.035	50	20	DDGD	
Cc1ccc2c(c1)CC[C@H](C(=O)NNC(=O)c1ccncc1)O2	377130519	SKPZOQIAOJRYOG-OAHLLOKOSA-N	311.341	1.545	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NC[C@@H]1CCC(F)(F)C1	280805312	VEBCJCNLHNOOEO-LLVKDONJSA-N	312.320	1.390	50	20	DDGD	
COCCN(C)NC(=O)c1cc(C)n(-c2ccc(C)cc2)n1	288314253	CTTFWSPBBARCMT-UHFFFAOYSA-N	302.378	1.712	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)cc1	282158185	MNTOFLLPYAGFTF-ZIBATOQPSA-N	321.377	1.068	50	20	DDGD	
O=C(NNc1ncncc1F)N[C@H]1CCO[C@@H]1c1cccnc1	293418632	RIPGCILRNZVEBU-NWDGAFQWSA-N	318.312	1.167	50	20	DDGD	
CCC1=C(C(=O)NNC(=O)CNc2ccccc2)CCCO1	806355390	USNZCFLCDMZYNU-UHFFFAOYSA-N	303.362	1.720	50	20	DDGD	
O=C(CCCn1ccnc1)NNc1ccc2c(=O)[nH]ccc2c1	803428278	YJBUUAXCXGXVIW-UHFFFAOYSA-N	311.345	1.648	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NNc2ncccc2F)c1	805066941	DUKGVHFBMRGLME-UHFFFAOYSA-N	314.280	1.063	50	20	DDGD	
CCOCCC1(CNC(=O)NNc2ncncc2F)CCC1	292898946	BQFJMQJDDPSOBW-UHFFFAOYSA-N	311.361	1.839	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)/C=C/c2ccc3c(c2)OCO3)O1	294111320	FDEMOFDUNLKADL-YJNCBDGFSA-N	318.329	1.143	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)Cc2ccc(O)cc2)cc1	802054038	FBXIBUWWVSTDNG-UHFFFAOYSA-N	315.329	1.796	50	20	DDGD	
Cc1ccc(C=NNC(=O)c2cnn(C)c2)c(-c2ccnn2C)c1	802711287	RBKHWCGDYNHVAQ-UHFFFAOYSA-N	322.372	1.893	50	20	DDGD	
O=C(CSCc1c(F)cccc1F)NNC(=O)C1CC1	809987537	BUAUHSYKGPCVKG-UHFFFAOYSA-N	300.330	1.755	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1cc(F)c(F)cc1F	292994224	SFZRCPLXJYWJMC-JTQLQIEISA-N	303.240	1.436	50	20	DDGD	
Cc1cc(C(=O)NNc2nnc[nH]2)ccc1NC(=O)CC(C)C	293945623	OOTCTKIRQJOBEF-UHFFFAOYSA-N	316.365	1.855	50	20	DDGD	
CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)NNC(=O)C(C)(C)C)[C@H]2C1	808268422	MVSQNYAKEQOWMY-RWMBFGLXSA-N	324.425	1.010	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c(C)c1	295148428	BDUHPGWZUUCDLD-RYUDHWBXSA-N	312.391	1.180	50	20	DDGD	
CCn1nc(C(=O)NNc2nccnc2C2CCC2)ccc1=O	805459098	GRRQHOWFJLGJRA-UHFFFAOYSA-N	314.349	1.078	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)C[C@H]2CCc3ccccc32)CC1	807381680	DOEINAUPNJDYLL-CQSZACIVSA-N	316.405	1.095	50	20	DDGD	
CC(C)(C)c1n[nH]cc1C(=O)NNC(=O)NCC(F)(F)F	293605028	LKAPPWJAPHLGAR-UHFFFAOYSA-N	307.276	1.214	50	20	DDGD	
C[C@H]1CCCN(C[C@H](C)NC(=O)NNc2ncncc2F)C1	293046995	OZFZORACUQQVGS-QWRGUYRKSA-N	310.377	1.362	50	20	DDGD	
CN(NC(=O)COc1ccc(C#N)c(Br)c1)C1CC1	819652847	BLHVXURCBWLXMW-UHFFFAOYSA-N	324.178	1.825	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H]2CC3CCC2CC3)c1O	814311690	IKNSPJSCADXYQQ-GCZXYKMCSA-N	318.373	1.988	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc(F)c[nH]1	814737931	NZPVTHIYLSKVPO-QMMMGPOBSA-N	309.272	1.521	50	20	DDGD	
O=C(NNC(=S)NC1CCC1)c1ccc2c(c1)OCCO2	814193303	NRQRTCMSZWJTEY-UHFFFAOYSA-N	307.375	1.119	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1cc2c(cc1O)OCO2	815001915	YZULLDWMNGIPRO-UHFFFAOYSA-N	300.274	1.093	50	20	DDGD	
Cn1cc(C(=O)NN=C2CC(C)(C)Oc3cc(O)ccc32)cn1	814851953	CDXIABKWNYGLJY-UHFFFAOYSA-N	314.345	1.821	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ncoc1C(F)(F)F	816823715	DKDRZNXNXZOLNM-UHFFFAOYSA-N	302.212	1.107	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1	815159222	MYNCMSCOWGBPDO-YYFQZIEXSA-N	307.438	1.546	50	20	DDGD	
CCOCc1nc([C@@H](C)NC(=O)NNC(=O)C(C)(C)C)no1	812569186	YLZYDZJVDFQGKZ-MRVPVSSYSA-N	313.358	1.044	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)CCc1ccccc1O)n1cccn1	819878563	OYJAGBGVZVEZIM-LBPRGKRZSA-N	316.361	1.320	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1cn(-c2ccccc2)nn1	814957396	QAVZFUNEBYRHCP-UHFFFAOYSA-N	309.333	1.073	50	20	DDGD	
C[C@@H](COc1cccc(F)c1)NC(=O)NNc1ncncc1F	814284400	FUXWYCOZJABVDV-VIFPVBQESA-N	323.303	1.848	50	20	DDGD	
CC(C)C(=O)NNC(=O)C[C@H](c1ccccc1)c1ncc[nH]1	819818439	MKNRHJKYVTWCKT-CYBMUJFWSA-N	300.362	1.735	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNC(=O)c1ccccc1OC	810375548	ZVBADBPPSGZHON-UHFFFAOYSA-N	308.337	1.680	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1cccc(Br)c1O	814955086	WIJDYPXCYRRKNS-UHFFFAOYSA-N	323.150	1.571	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CC[C@@H](C(=O)O)C[C@H]1C	814854063	CGGGELQSOREZOU-NXEZZACHSA-N	311.382	1.284	50	20	DDGD	
C[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)C(C)(F)F	815490124	KZNFBRZOZMHYFQ-SECBINFHSA-N	314.288	1.282	50	20	DDGD	
CC#CC(=O)NNc1cc(C(=O)OC)ccc1Br	818762659	DCGHUJHKJYFDKG-UHFFFAOYSA-N	311.135	1.702	50	20	DDGD	
C[C@@](O)(C(=O)NNc1ccc(S(C)(=O)=O)cc1)C1CCC1	813494175	AIRZLMFJFKKFEV-AWEZNQCLSA-N	312.391	1.084	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@@H](CC(F)(F)F)C1	817281982	VASWGWCDCRVQQB-JTQLQIEISA-N	323.359	1.844	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCS[C@H](c2ccccc2)C1	827854001	YLYFVAYXRWYUEF-AWEZNQCLSA-N	321.446	1.580	50	20	DDGD	
O=C(NN=Cc1ccc(-c2nn[nH]n2)s1)NC1CCCCC1	823273298	JJUOAOJSSNJSHD-UHFFFAOYSA-N	319.394	1.894	50	20	DDGD	
CCc1onc(-c2ccccc2)c1C(=O)NN(C)[C@@H](C)CO	823927779	GECHRZRYKAABNY-NSHDSACASA-N	303.362	1.861	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2nc3c(C)cccc3s2)CC1	828362287	GIFPELYQFXKODR-UHFFFAOYSA-N	304.375	1.574	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NNC(=O)C(C)(C)C2CCC2)c1	827148772	OLKDGTDOEQMDKF-UHFFFAOYSA-N	318.377	1.627	50	20	DDGD	
COCCn1cc(/C=C(/C#N)C(=O)Nc2nccs2)cn1	490664504	RMPUXJRAUCACIV-WDZFZDKYSA-N	303.347	1.532	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@@H]2CC(C)(C)OC2(C)C)cn1	491088308	ZGNIEHMKBFWWCU-XEVNVYFWSA-N	302.378	1.789	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H]1CCn2ccnc2C1	491175566	LMLHSVZLIYPDFX-SSUFTNFISA-N	308.341	1.627	50	20	DDGD	
CCCC1CCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)CC1	728437938	YOUDPDLGMGWXHP-NFJWQWPMSA-N	303.428	1.387	50	20	DDGD	
CCC[C@@H](C)C=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	825233205	OHSAAPULWLDQEF-LLVKDONJSA-N	316.365	1.784	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CCN1CCCC1=O	727864318	FHXDBSJUTMYQAH-UHFFFAOYSA-N	304.350	1.160	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCC(C)(C)C1=CCCC1	826942287	SESHASRDZNLODX-WCQYABFASA-N	309.410	1.878	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)nc(C)n1	495509794	MAMDPQXYFRZQML-LLVKDONJSA-N	321.381	1.546	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCC[C@@H]2[C@@H]2CCCOC2)cn1	491087740	XSDORNCUIKFPPH-HHFCYPSPSA-N	314.389	1.745	50	20	DDGD	
CCCN(NC(=O)[C@@H](C)S(C)(=O)=O)C(=O)OC(C)(C)C	495631340	OBGSFQFISYZUOI-SECBINFHSA-N	308.400	1.098	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H](C(=O)NNc1cnccn1)C1CCC1	496821373	ZPMBGBULKOGTGO-LBPRGKRZSA-N	321.381	1.613	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCCCc1nnc2n1CCCC2	490814535	VSUPZAQRTWXIFM-QXMHVHEDSA-N	303.366	1.107	50	20	DDGD	
CCCN(CCC)CCCC(=O)Nc1cccc(B(O)O)c1	584910908	SDKGZLJSCDXXFZ-UHFFFAOYSA-N	306.215	1.207	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1nc(C)ccc1Br	822547078	GVPBQDASSMKVPP-UHFFFAOYSA-N	317.212	1.233	50	20	DDGD	
CCO[C@H](CC)C(=O)NNC(=S)NCCc1cccs1	820168535	CKYXQSZSTNVUIJ-LLVKDONJSA-N	315.464	1.601	50	20	DDGD	
OB(O)c1ccccc1CNC[C@H](c1ccccc1)C(F)(F)F	585036632	MZARZLUCPGZYSE-CQSZACIVSA-N	323.123	1.802	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	823940467	YEJZKUHYPDNNSK-UXCLJVHYSA-N	305.216	1.284	50	20	DDGD	
C[C@H](Oc1ccccn1)C(=O)NNC(=O)NC1CCCCC1	823644803	HOCAMCWDWCJCAC-NSHDSACASA-N	306.366	1.512	50	20	DDGD	
C[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)CC[C@@H]1c1ccccc1	584953517	VYMZPRIYQKZRQS-KSSFIOAISA-N	323.201	1.632	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@]1(C)CCCOC1	822728538	VCYQKYFWOTVBSF-OAHLLOKOSA-N	310.325	1.872	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc3ncccc23)nn1C	730225136	ORJHNNYSOFYICD-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNc1ccc(CC(=O)OC)cc1	820667560	YJQPFINHRUTENX-ZDUSSCGKSA-N	303.362	1.830	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NN=C1CN2CCC1CC2	494300536	UQXQKEWTKVZBAR-UHFFFAOYSA-N	324.425	1.489	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)c1cccc(OC(F)F)c1	491820885	TXATWPCJHOEAOE-UHFFFAOYSA-N	318.283	1.882	50	20	DDGD	
CN(C)Cc1cc(NCc2cccc(B(O)O)c2)ccc1Cl	585039242	PPGMSASVAGUNCL-UHFFFAOYSA-N	318.613	1.694	50	20	DDGD	
CCCCCC(=O)NC1CCN(S(=O)(=O)CCl)CC1	830312956	IRLJOANWMXUJSG-UHFFFAOYSA-N	310.847	1.673	50	20	DDGD	
COc1nc(N(C)C)sc1C=NNC(=O)[C@H]1CCCCO1	834988830	NNTABVSSVWPKKS-SECBINFHSA-N	312.395	1.237	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(-c2csnn2)cc1	494572633	NCOWCGDIKKLJSP-UHFFFAOYSA-N	307.335	1.988	50	20	DDGD	
O=C(O)CCOc1cccc(C=NNC(=O)[C@H]2CCCCO2)c1	834990672	ZQVKPMBEGDODSB-CQSZACIVSA-N	320.345	1.559	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc(Cl)nc1F	908518085	UBOGDFJZFOJZCG-MRVPVSSYSA-N	301.705	1.204	50	20	DDGD	
O=C(C[C@@H]1CCc2ccccc2C1)NNC(=O)[C@@H]1CCCCO1	833250159	CUJLHLPXNSVKPZ-CJNGLKHVSA-N	316.401	1.898	50	20	DDGD	
CC(C)(C)OC(=O)NOCC(=O)NNc1ccc(F)cc1F	907097494	SGEPABLOXFLAGC-UHFFFAOYSA-N	317.292	1.864	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cc(C2CC2)ccn1	831822892	QDZBQLXLJOJXGC-BXKDBHETSA-N	304.350	1.537	50	20	DDGD	
O=C(COc1cccc(C(F)(F)F)c1)NN=Cc1ncc[nH]1	731148992	CZZMXBVIQAUISQ-UHFFFAOYSA-N	312.251	1.958	50	20	DDGD	
C[C@H]1CC[C@H](CNC(=O)NNC(=O)c2cccc(C#N)c2)O1	838745298	ODZIXZPIKBBBTP-GXFFZTMASA-N	302.334	1.070	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccccc1O)c1cccc(O)c1	732889402	OFDIEBRVBAWMHW-JTQLQIEISA-N	315.329	1.803	50	20	DDGD	
CCC1CCC(CNC(=O)c2cc(B(O)O)ccc2F)CC1	584933089	DPPUDOBYHYUIRM-UHFFFAOYSA-N	307.174	1.452	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cccc2c1OCCO2	831342218	ZCDNBXGPBPRILM-NXEZZACHSA-N	321.333	1.036	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccn(C2CCCC2)n1	833246286	HFNZXDMUPUXGIO-ZDUSSCGKSA-N	306.366	1.328	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H](c2ccccc2)N2CCCC2)cc1	585014561	VUHPXFVWXCXTTC-IBGZPJMESA-N	324.233	1.293	50	20	DDGD	
C[C@]1(C(=O)NC2CCC3(CC2)OCCO3)C[C@@H]1Br	906243090	KAFRXULHQOBAHZ-JQWIXIFHSA-N	318.211	1.962	50	20	DDGD	
CC(=NNC(=O)CNc1ccccc1)c1c(C)nc(O)nc1O	839388775	RVDBXJYDFNXYSS-UHFFFAOYSA-N	315.333	1.149	50	20	DDGD	
CN(NC(=O)CCCn1ccccc1=O)C(=O)OC(C)(C)C	838368529	BSCDOOGWFHFIOX-UHFFFAOYSA-N	309.366	1.527	50	20	DDGD	
COC(=O)CCN(c1cccc(F)c1)S(=O)(=O)CCl	830671624	GTPCOADMBIMPIR-UHFFFAOYSA-N	309.746	1.721	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1cc(Cl)c2c(c1)OCO2	735410414	DHBHRSRZVNGZPE-UHFFFAOYSA-N	306.709	1.864	50	20	DDGD	
CCS(=O)(=O)CC(=O)NNc1cccc(Cl)c1Cl	838343644	XRTPDFYMOOJBDB-UHFFFAOYSA-N	311.190	1.871	50	20	DDGD	
Cc1ccc2c(c1)[C@@H](NC(=O)NNC(=O)[C@@H]1CCCCO1)CC2	836286389	GDLRORUSZCJYNF-GJZGRUSLSA-N	317.389	1.882	50	20	DDGD	
O=C(COCC1CC1)NNC(=O)c1cc(-c2ccccc2)on1	917977146	WBXQQYMSTXNJDZ-UHFFFAOYSA-N	315.329	1.529	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NC1CCN(C(=O)C(C)(C)C)CC1	917601148	KIBVOMBWLYSNKX-VAWYXSNFSA-N	307.394	1.584	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2c(C3CC3)cnn2C)c1	831894441	OSKHOZLMNZEJKU-UHFFFAOYSA-N	314.345	1.841	50	20	DDGD	
CC(=O)N[C@H](CCC(C)C)C(=O)NNc1nccnc1C(C)C	834580399	JZACMBQVFPVDTN-CYBMUJFWSA-N	321.425	1.984	50	20	DDGD	
CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NN)cc1	916665615	QMIRGFQQEGTQNT-UHFFFAOYSA-N	319.386	1.505	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNc1nc2ccccc2n1C	848379423	HPAXYVDWHPKOIN-CQSZACIVSA-N	301.394	1.891	50	20	DDGD	
CCS(=O)(=O)c1ccc(C(=O)NNC(=O)C2CCCC2)cc1	745765357	YIPWYTDYVDHNJX-UHFFFAOYSA-N	324.402	1.431	50	20	DDGD	
CCn1ncnc1C=NNC(=O)[C@H](C)Oc1cccc(Cl)c1	848410068	HEJOLQSTHTUIHQ-JTQLQIEISA-N	321.768	1.869	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)NC[C@H]2CCCO2)cc1	742710985	UDZCMZGJHUYDMJ-CYBMUJFWSA-N	321.381	1.267	50	20	DDGD	
CO[C@H](C=NNC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1	841605537	XGIBKWGEECKSKB-DGCLKSJQSA-N	307.306	1.362	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)CC(C)(C)C)c1	744485029	OXTJDNCKGNOBQZ-UHFFFAOYSA-N	306.362	1.735	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1(c2cccc(Cl)c2)CC1	843645531	RNKDDYMRMOHYAQ-GWCFXTLKSA-N	322.792	1.944	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)COc1cccc(C)c1)C(C)C	743636035	CMHAPNMFRQILCN-AWEZNQCLSA-N	323.393	1.375	50	20	DDGD	
Cc1cc(CC(=O)NN=C2CCCc3cc(C#N)ccc32)n[nH]1	743434419	PQWAZUVHRHIDJG-UHFFFAOYSA-N	307.357	1.989	50	20	DDGD	
CCc1ccccc1OCC(=O)NNc1ccnc(N(C)C)n1	740102225	GGJGJYGIRJYGBN-UHFFFAOYSA-N	315.377	1.627	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)Cc2ccccc2F)CS1	840417310	HUQYFQKXGADXAC-MWLCHTKSSA-N	311.382	1.593	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=Cc2ccccc2F)c1	915052322	OUUFMGZAESPIND-UHFFFAOYSA-N	320.345	1.993	50	20	DDGD	
NC[C@H]1CC[C@@H](NC(=O)NNc2ncnc3ccsc23)C1	842011021	PRGSZADJOHLMGB-DTWKUNHWSA-N	306.395	1.445	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	919972892	WKRUFVTVOIGGCG-ZDUSSCGKSA-N	310.350	1.280	50	20	DDGD	
Cc1nc(CS(=O)(=O)NN(C)C(=O)OC(C)(C)C)cs1	841552055	RREBZGZXVJHGCR-UHFFFAOYSA-N	321.424	1.653	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CSCc2ccco2)cc1	742445677	URRGRIJHSVBXFJ-UHFFFAOYSA-N	315.354	1.846	50	20	DDGD	
O=C(NNc1ncccc1Cl)C1(n2cnnn2)CCCCC1	846635568	WVBURGGPTIUHFD-UHFFFAOYSA-N	321.772	1.524	50	20	DDGD	
CC(C)[C@@H](N)CNC(=O)NNC(=O)c1ccc2ccccc2n1	841944262	XYEULONDIGCAIL-LBPRGKRZSA-N	315.377	1.162	50	20	DDGD	
COc1cccc2[nH]c(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)cc12	911502962	ONCCCFPGDQNVFS-NXEZZACHSA-N	317.345	1.363	50	20	DDGD	
CCOCC(=O)NN=C(C)c1ccc(N2CCCC2)cc1O	748252882	YEPNPUMAZZYLIW-UHFFFAOYSA-N	305.378	1.869	50	20	DDGD	
COc1ccc(C)cc1CC(=O)NNC(=O)[C@H]1CCO[C@H]1C	843647715	ZKVSVZAXYHHQIE-AAEUAGOBSA-N	306.362	1.119	50	20	DDGD	
C#CCCOc1ccc(C=NNC(=O)C(=O)N2CCCC2)cc1	748136663	PORSNJKTDCTLOF-UHFFFAOYSA-N	313.357	1.161	50	20	DDGD	
C[C@@H]1CCCC[C@H]1CCNC(=O)NNC(=O)c1ncccn1	841584984	TZJQGBGTUAZWRO-NEPJUHHUSA-N	305.382	1.637	50	20	DDGD	
CC(=NNC(=O)[C@H]1COc2ccccc2O1)c1cncnc1C	848399861	ZUEHXEYAEGXQDB-OAHLLOKOSA-N	312.329	1.465	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2ccncc2F)c1	741172670	CVIVJGGLAQJYJT-UHFFFAOYSA-N	319.292	1.313	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cccc(CN2CCCCC2)c1	910146902	MYMPEWFTFKFYQS-CQSZACIVSA-N	305.422	1.630	50	20	DDGD	
COC(=O)c1cccc(NC(=O)NNC(=O)CC(C)C)c1OC	844774583	IYNVCEMTDDNOFP-UHFFFAOYSA-N	323.349	1.681	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=Cc1ccc2c(c1)CCO2	747638589	PIIUGQMSXVTUNL-UHFFFAOYSA-N	320.352	1.962	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N2CCC2)cc1	746905280	AMVWZRGRPLGIQT-UKTHLTGXSA-N	300.314	1.378	50	20	DDGD	
C[C@]1(C(=O)NCCC(=O)Nc2ncc[nH]2)C[C@@H]1Br	910327704	PTEHATNUZBHHQA-CPCISQLKSA-N	315.171	1.028	50	20	DDGD	
C[C@H]1CCC[C@@H]1CC(=O)NNc1ccccc1S(N)(=O)=O	842262191	RGVNMUIPOMRYGS-WDEREUQCSA-N	311.407	1.603	50	20	DDGD	
CC(C)c1ccccc1OCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843650153	ZFYASICCPWMXRA-GXTWGEPZSA-N	320.389	1.761	50	20	DDGD	
CC(C)OC(=O)C[C@@H](NC(=O)NNC(=O)C(C)(C)C)C(C)C	848645214	CURVCAMDAVSCPD-LLVKDONJSA-N	315.414	1.729	50	20	DDGD	
COCCN(C)NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl	848378377	OPYDOYJWLSQRQJ-UHFFFAOYSA-N	301.730	1.780	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cccc(Nc2ncccn2)c1	746006221	XXPYBYBTMCETAD-UHFFFAOYSA-N	300.322	1.136	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc(O)c2ccccc12	843971082	OQOFZCIZSZQWLD-NXEZZACHSA-N	315.329	1.126	50	20	DDGD	
CCN(C)C(=O)[C@H](C)NC(=O)NNc1c(F)cc(F)cc1F	922155999	IUVGGPRYIWEAEB-ZETCQYMHSA-N	318.299	1.597	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cccc2ncccc12)[C@@H](C)O	842231685	MZTZBCAJGCTADE-GHMZBOCLSA-N	301.346	1.403	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC(C=NNC(=O)c2cc[nH]n2)CC1	853392647	PSYICECKOXUJOF-UHFFFAOYSA-N	321.381	1.772	50	20	DDGD	
C[C@H]1Cc2ccccc2C1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	751130734	MNTCEIVZUHJZJY-CMPLNLGQSA-N	321.402	1.069	50	20	DDGD	
COCCOc1ncccc1C(=O)NNC(=O)c1ccc(C)o1	752779595	MRGSJXPMSYEJLX-UHFFFAOYSA-N	319.317	1.083	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cnc([C@@H](C)O)s2)n1	857459901	SWHPQLFDOXDBBJ-SSDOTTSWSA-N	309.351	1.060	50	20	DDGD	
CCCCc1nc(C=NNC(=O)c2cnn(C)c2)c(Cl)[nH]1	755731987	BVNFTNQLODUUBL-UHFFFAOYSA-N	308.773	1.903	50	20	DDGD	
CC[C@@H](CNC(=O)NNc1cccc(C(=O)OC)c1C)OC	854082385	DHZZHUHDHSRZAT-NSHDSACASA-N	309.366	1.833	50	20	DDGD	
CCOC(CCNC(=O)NNc1ncc(Cl)cn1)OCC	856887956	ZKSFCDPVIJSCTB-UHFFFAOYSA-N	317.777	1.545	50	20	DDGD	
CCC(=NNC(=O)c1ccc2c(c1)OCO2)c1nccn1C	755483410	DMKXKJSMPIMMIB-UHFFFAOYSA-N	300.318	1.693	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=C1CCN2CCC[C@@H]12	853407124	GSAMAKBEMDSBFC-ZDUSSCGKSA-N	308.426	1.269	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H](C)c1cccs1	854282387	VYMRQYLCFNBMBW-JTQLQIEISA-N	315.464	1.726	50	20	DDGD	
CN(CCNC(=O)NC[C@@]1(C)C[C@H]1Br)C1CC1	856838505	COGITJGIZOBLKU-ZYHUDNBSSA-N	304.232	1.553	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)[C@@H](C)N1C(=O)CCC1=O	928336573	UIXJJFXVNFLYQT-SECBINFHSA-N	309.753	1.629	50	20	DDGD	
C[C@]1(CNC(=O)CNCC(F)(F)F)C[C@H]1Br	857007522	NHWLXWQCWGZFKE-HTRCEHHLSA-N	303.122	1.428	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NNc2ncc(Cl)cn2)n1	857356178	VLWJWPLCJFLSHG-UHFFFAOYSA-N	324.797	1.772	50	20	DDGD	
NCCCCCC(=O)NNC(=O)NCCc1ccc(F)cc1	857765550	CPHGLLVSHGNPBA-UHFFFAOYSA-N	310.373	1.218	50	20	DDGD	
Cc1cnc(COCC(=O)NC[C@@]2(C)C[C@@H]2Br)o1	857387003	BVQXBFWHPADYQX-JOYOIKCWSA-N	317.183	1.789	50	20	DDGD	
COC(=O)c1csc(NC(=O)NNC(=O)C2CCCC2)c1	757679787	KRQYZCJHTQCLDR-UHFFFAOYSA-N	311.363	1.878	50	20	DDGD	
COC(=O)CC1CCN(CCI)CC1	759345080	YGBJJALHRHJQRB-UHFFFAOYSA-N	311.163	1.697	50	20	DDGD	
COCCCNC(=O)NN=Cc1cnc([C@H]2CCCO2)s1	755667813	CZCCCNWHHWRPHE-LLVKDONJSA-N	312.395	1.664	50	20	DDGD	
COC1(CNC(=O)NNC(=O)c2cccc(F)n2)CCCC1	852359709	VQINHXLWORGNIY-UHFFFAOYSA-N	310.329	1.124	50	20	DDGD	
Cc1cc(S(C)(=O)=O)cc(C(=O)NNc2ncccn2)c1C	758276640	JAQWEENBDKGTBL-UHFFFAOYSA-N	320.374	1.254	50	20	DDGD	
CC(C)Cn1[nH]c(CC(=O)NNc2ccccc2F)cc1=O	935016611	HYPXBPZEZVKPAS-UHFFFAOYSA-N	306.341	1.657	50	20	DDGD	
C[C@]1(CNC(=O)COCc2ccccn2)C[C@H]1Br	857389292	ZIWFKZRPUFPDSO-DGCLKSJQSA-N	313.195	1.888	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1	854925838	NTNBKWDMHRQCJH-UHFFFAOYSA-N	309.439	1.596	50	20	DDGD	
O=C(CCC[C@@H](O)c1ccccc1)NNC(=O)c1ccnnc1	854969187	YNWJENXMARSNHM-CQSZACIVSA-N	314.345	1.142	50	20	DDGD	
CCc1nn(C)cc1NC(=O)NNC(=O)c1ccccc1O	757896030	OECOFYXTWPFONA-UHFFFAOYSA-N	303.322	1.155	50	20	DDGD	
C[C@@H](CCNC(=O)NNC(=O)[C@H]1CCC(=O)N1)CC(C)(C)C	858379682	IKWLASBDZRUDGX-WDEREUQCSA-N	312.414	1.058	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ccc2c(c1)COC2	759292750	WDZRADRVASQCMI-UHFFFAOYSA-N	300.274	1.777	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNC(=O)c1cccc(N(C)C)c1	858158293	DVBQOAPACBPARH-AWEZNQCLSA-N	307.394	1.719	50	20	DDGD	
COc1c(F)cc(NC(=O)NNC(=O)c2cnccn2)cc1F	756148782	NYQFOGFEWGPXQX-UHFFFAOYSA-N	323.259	1.230	50	20	DDGD	
C[C@@](NC(=O)NNC(=O)c1ccnnc1)(C1CC1)C(F)(F)F	933577078	ZABUBZHWBFDOCB-LLVKDONJSA-N	317.271	1.152	50	20	DDGD	
C[C@H]1CC(=O)CC[C@@H]1C(=O)NNCC(F)(F)C(F)(F)F	863097919	WKYXWHYOUCYLLC-XPUUQOCRSA-N	302.243	1.810	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CCCC2CCOCC2)n[nH]1	869016369	JVGRKQWBKVPWJM-UHFFFAOYSA-N	308.382	1.005	50	20	DDGD	
Cc1c(NNC(=O)/C=C/CN2CCOCC2)cccc1[N+](=O)[O-]	866875792	NFODWZILFLSQLR-ZZXKWVIFSA-N	320.349	1.235	50	20	DDGD	
CCOCCCNC(=S)NNC(=O)c1cc(C)cs1	863204501	ACFXGNIVRBKYOQ-UHFFFAOYSA-N	301.437	1.592	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]21)C(F)(F)F	862321696	CGWACWOCOITXLK-QEYWKRMJSA-N	307.316	1.253	50	20	DDGD	
COc1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)C(C)C	763832239	NCTIDWMZUUMTCM-UHFFFAOYSA-N	313.741	1.091	50	20	DDGD	
CC[C@@H](C#N)Oc1cccc(CNCc2ccccc2B(O)O)c1	863887990	BYEUZDMOKYKDKU-INIZCTEOSA-N	324.189	1.337	50	20	DDGD	
C[C@@H](OCc1ccncc1)C(=O)NNC(=O)NC1CCCCC1	864461339	OZVGWJKBMSZKGA-GFCCVEGCSA-N	320.393	1.650	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1cccc(C(=O)O)c1	764676789	UBENROHNPPDHKZ-UHFFFAOYSA-N	300.318	1.499	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@H](C)Cc1cccnc1	934233835	LEMMLDRGWSMRHB-CHWSQXEVSA-N	306.410	1.184	50	20	DDGD	
CC(C)(C(=O)NNc1cnccn1)c1ccc([N+](=O)[O-])cc1	769096176	CNKFMRMXMCZYKB-UHFFFAOYSA-N	301.306	1.806	50	20	DDGD	
COc1ccc(NNC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)nc1	861175506	VAYPGDSBDCZRND-JKSUJKDBSA-N	319.361	1.655	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C[C@@H]2CCC[C@H](C(F)(F)F)C2)N1	863150633	APLHZKKZWSKUIC-KXUCPTDWSA-N	305.300	1.736	50	20	DDGD	
CO[C@@]1(CNC(=O)[C@H](Br)C(C)(C)C)CCOC1	768446087	FUUXTTGICRQPIB-JOYOIKCWSA-N	308.216	1.718	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@H](CC)NC(C)=O)cc1C	868485904	FNDBJXAJVRVSRZ-AWEZNQCLSA-N	321.377	1.530	50	20	DDGD	
COCCCOc1ccc(C(=O)NN[C@H](C)C(F)(F)F)cn1	862312734	SQLLJOFLZGUVMT-SECBINFHSA-N	321.299	1.682	50	20	DDGD	
CC(C)n1cc2c(n1)[C@@H](NC(=O)NNC(=O)C1CCC1)CCC2	765924810	VFAMDBCKKGSVBH-ZDUSSCGKSA-N	319.409	1.972	50	20	DDGD	
CCc1cc(O)nc(SCC(=O)NNC(=O)C(C)(C)C)n1	767082259	CIOLYTNVZQSBEF-UHFFFAOYSA-N	312.395	1.030	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NC[C@H]1CCCCN1C1CC1	765659924	AIEODGGFRWBPDA-SNVBAGLBSA-N	322.331	1.286	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)c2cccc3ccccc23)nn1	766476385	XAUUNUIMFMVIIU-UHFFFAOYSA-N	323.356	1.916	50	20	DDGD	
CCc1noc2ncc(S(=O)(=O)NCC(Cl)Cl)cc12	867470466	OICZWQMESHMGEM-UHFFFAOYSA-N	324.189	1.867	50	20	DDGD	
COC(=O)CNC(=O)NN=CCc1ccc(F)cc1Cl	766454155	HCECJSJRLMOIAX-UHFFFAOYSA-N	301.705	1.480	50	20	DDGD	
COCCOCC(=O)NN=C1c2cccc(F)c2CC[C@@H]1C	872401926	NUAPXOSGIFSSDU-NSHDSACASA-N	308.353	1.891	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)[C@H](C)C2)c1O	763984580	XCNRDWSRHDZWBB-NXEZZACHSA-N	320.345	1.167	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1cccc(Oc2ccccc2)c1	763515917	XNVATSSHPFIZOG-UHFFFAOYSA-N	313.313	1.585	50	20	DDGD	
Cc1cc(=NNC(=O)NCCN2Cc3ccccc3C2)cc[nH]1	875174594	YXKMBWXOPMMYHF-UHFFFAOYSA-N	311.389	1.454	50	20	DDGD	
Cc1ncc(C(=O)NNc2nc(-c3cccnc3)no2)c(C)n1	777395019	WOFYWAWIOYIYJS-UHFFFAOYSA-N	311.305	1.295	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2ccn(CC(F)F)n2)n1	770056268	MVBFNOUZPNZPSY-UHFFFAOYSA-N	311.296	1.704	50	20	DDGD	
O=C(NNC(=O)c1cnn(C2CCCCC2)c1)c1cccnc1	1116030957	BSZNXISOGSKBLA-UHFFFAOYSA-N	313.361	1.858	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CCO[C@@H](C)C2)cc1	770354204	VZKVFDHOOMOJPR-STQMWFEESA-N	321.377	1.272	50	20	DDGD	
CO[C@@](C)(C(=O)NNc1ncnc2[nH]cnc12)c1ccccc1	776157215	QSBLBLHBKDKOON-OAHLLOKOSA-N	312.333	1.358	50	20	DDGD	
N#CSCCCNC(=O)C[C@H]1Oc2ccccc2NC1=O	773586630	QOISVBTZIVVRAH-GFCCVEGCSA-N	305.359	1.497	50	20	DDGD	
COCCCOc1ccccc1NC(=O)NN(C)CCOC	878410717	BRMLTOKZCHKYLP-UHFFFAOYSA-N	311.382	1.717	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=C1COc2cc(F)cc(F)c21	1117702259	RIRHWOQJDPAQQQ-UHFFFAOYSA-O	304.276	1.165	50	20	DDGD	
CCC(CC)n1nccc1C(=O)NNc1ccnc(N(C)C)n1	771022645	LTXNCUNPFUQPJZ-UHFFFAOYSA-N	317.397	1.857	50	20	DDGD	
O=C(NCc1nc(C(F)(F)F)n[nH]1)NNc1ccccc1	776258247	XCCZKOIUEPZRPC-UHFFFAOYSA-N	300.244	1.650	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(C)n(C(C)C)c1C	771872765	CIZVNIBOTPHGMN-LBPRGKRZSA-N	323.393	1.789	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C/C=C\c1cccc(F)c1	884402373	REODNROLMFZQGJ-VDKQVUMRSA-N	319.380	1.909	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc2c(c1)OCO2)c1ccccc1	777905280	FSGNRNTVQJAZBS-UHFFFAOYSA-N	320.326	1.039	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)Nc1ccon1	770631668	QUMMUPZIBSOTPM-QMMMGPOBSA-N	324.724	1.948	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)COc2ccc(C#N)cc2)c(C)c1	779867607	WPBITMYISXOAPB-UHFFFAOYSA-N	324.340	1.410	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc(C#N)c1	771868740	SOEAVTQEFRJHBZ-NSHDSACASA-N	317.345	1.297	50	20	DDGD	
C[C@@H](CN1CCCCC1)NC(=O)NNc1ccc(C#N)cn1	887708300	RACYSABHVKYFGY-LBPRGKRZSA-N	302.382	1.454	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccc(Cl)nn2)c2ccccc21	789907242	PCHFJMPTVFHPQG-JTQLQIEISA-N	302.721	1.943	50	20	DDGD	
O=C(NN=C1CC[C@@H](C(=O)O)c2ccccc21)[C@H]1CCOC1	789053634	ALBNBBVVDIRBSC-GXFFZTMASA-N	302.330	1.505	50	20	DDGD	
CSCCNC(=S)NNC(=O)Cc1ccc(Cl)cn1	786507499	SLZOUACXKCUOPT-UHFFFAOYSA-N	318.855	1.136	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@H](C)NC(=O)NNc1ccc(C#N)cn1	889239238	LGMDPXGHUNUQPP-ZUZCIYMTSA-N	303.366	1.783	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cccnn1	882056581	ABXSNRVIVLPRPK-ZJUUUORDSA-N	302.359	1.411	50	20	DDGD	
CCc1cnccc1[C@@H](C)NCC(=O)NNC(=O)C(C)(C)C	783015052	CKGZVELGPHOCSS-LLVKDONJSA-N	306.410	1.488	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1cc(O)cc([N+](=O)[O-])c1	780683396	HXFDSAHBTFDRHZ-UHFFFAOYSA-N	313.273	1.934	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)[C@@H]1CCN1C1CCCC1	895535330	QTJAEGSGNIRNMO-HNNXBMFYSA-N	316.405	1.263	50	20	DDGD	
Cn1nccc1COCC(=O)NNc1ncnc2ccsc12	786394380	ZOGWZKQYRNHEIX-UHFFFAOYSA-N	318.362	1.085	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@@H](c1ccncc1)C1CC1	899016466	AYDTUKNGKQGSJP-LLVKDONJSA-N	316.283	1.816	50	20	DDGD	
COc1cccc(C[C@@H](O)C(=O)NNc2nc(C)cc(C)n2)c1	785404656	VRIHDNUAECMPCI-CQSZACIVSA-N	316.361	1.149	50	20	DDGD	
Cc1cc(C=NNC(=O)c2nnc(O)c3ccccc23)sn1	785449499	LEJQCJLUVNLYIC-UHFFFAOYSA-N	313.342	1.864	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(C(F)(F)F)nn1	788297319	LTNQAFHSHJSFMX-ZCFIWIBFSA-N	305.260	1.694	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C2(C(C)C)COC2)c(C)c1	891959933	RKOLJTJFCQOBMW-UHFFFAOYSA-N	319.405	1.535	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1c(O)cccc1Cl	899996255	IDBOBOUNJCJARB-UHFFFAOYSA-N	301.799	1.953	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)Nc1cc(Cl)ccn1	794353456	LYCGBKFGORUGQQ-UHFFFAOYSA-N	306.709	1.907	50	20	DDGD	
C=CCNC(=S)NNC(=O)C1=NO[C@H](c2ccccc2)C1	798304868	MZNVPKDAFRXXFV-LBPRGKRZSA-N	304.375	1.185	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(C=O)c(C)cc1C	793198997	NAEQWGILWWORRN-UHFFFAOYSA-N	307.350	1.096	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C(C)(C)C(F)F	791544931	ZQQZSCYKPXXFBF-UHFFFAOYSA-N	300.305	1.676	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1	791225902	ULFZRSKNVAWFEG-LBPRGKRZSA-N	302.378	1.624	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1csc(NC2CC2)n1	791241710	IXVUXLWBOINOPE-UHFFFAOYSA-N	315.362	1.517	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CO[C@H]2CCCC[C@H]2C)n1	794088048	VCYGMRKUKAYZBS-RISCZKNCSA-N	305.378	1.746	50	20	DDGD	
CN(CCC(F)(F)F)CC(=O)NNC(=O)c1ccc(F)cc1	1319417227	XLUIYHZHVJZPQP-UHFFFAOYSA-N	321.274	1.471	50	20	DDGD	
Cc1nnc(NNC(=O)c2cnn(C3CCCCC3)c2)nc1O	1327717958	LGOCAPHPHQBZLN-UHFFFAOYSA-N	317.353	1.344	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@]2(C)CCCO2)cc1	1323742992	PXIDHYVMDARFOC-HNNXBMFYSA-N	307.350	1.208	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)Nc1ccc(F)c(Cl)c1	1325612027	WTPLSHWYZSRCGR-UHFFFAOYSA-N	314.748	1.631	50	20	DDGD	
Cn1ccc(NNC(=O)COc2ccc3c(c2)CCCC3)n1	1325745562	KDTFIMDNZRBXNS-UHFFFAOYSA-N	300.362	1.821	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc(F)cc2)c(=O)c2cnn(C)c21	1321036303	BXSJSJMYJMUBQG-UHFFFAOYSA-N	315.308	1.168	50	20	DDGD	
O=C1Cc2cc(C(=O)NNc3ncccn3)c(Cl)cc2N1	1339760691	XQMNSFRTTYJYCK-UHFFFAOYSA-N	303.709	1.382	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNC(=O)c2ccccc2Cl)C1	1334421547	XNNWBBBRLHWJNY-JTQLQIEISA-N	323.780	1.360	50	20	DDGD	
N#Cc1cccc(C2(C(=O)NNC(=O)C3CCOCC3)CC2)c1	1332674871	TWXJIQKWONZRQK-UHFFFAOYSA-N	313.357	1.164	50	20	DDGD	
Nc1cnnc(NNC(=O)c2c(F)ccc(O)c2F)c1Cl	1331415413	JUBVBHMWILVNOH-UHFFFAOYSA-N	315.667	1.453	50	20	DDGD	
C[C@]1(CNC(=O)N[C@H]2CC[C@H](CN)CC2)C[C@@H]1Br	1333600835	NFELHJFPUYVYRH-MRBYEJRBSA-N	318.259	1.977	50	20	DDGD	
COC(=O)C(=O)NN=C1CN(Cc2ccccc2)C(C)(C)C1	1332523960	YRPPYBPPMFTCMR-UHFFFAOYSA-N	303.362	1.316	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(Cl)nc2)cc(O)n1	1337321160	NSIULMSTAIRGRJ-UHFFFAOYSA-N	306.709	1.219	50	20	DDGD	
C/C=C/C(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1	1331912760	ZWJUDGRVHIHFIJ-AATRIKPKSA-N	311.382	1.357	50	20	DDGD	
CC1=NO[C@@](C)(C(=O)NNc2cccc(S(C)(=O)=O)c2)C1	1337165739	HVFNVDTUSDVUQT-CYBMUJFWSA-N	311.363	1.088	50	20	DDGD	
N#CSCCCNC(=O)/C=C\c1ccc2c(c1)NC(=O)CO2	1336484845	KIWBENGRVJTWCP-HYXAFXHYSA-N	317.370	1.751	50	20	DDGD	
C[C@@]1(COC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C[C@@H]1Br	1348962717	WCUQKMHKPNMRBP-OBBGECFZSA-N	319.195	1.755	50	20	DDGD	
O=C(NNC(=O)[C@@]1(F)CCOC1)c1c(Cl)cccc1Cl	1342289265	OMWSMHLDJDHEGU-GFCCVEGCSA-N	321.135	1.883	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)N3CC[C@@H]3CO)cc2C1	1263063098	MJVOZXJWDQWXBS-GXSJLCMTSA-N	323.418	1.294	50	20	DDGD	
Cc1nnc(NNC(=O)Nc2ccc(C(=O)O)c(F)c2)n1C	1600798675	SVSWKUCNOYEQSN-UHFFFAOYSA-N	308.273	1.109	50	20	DDGD	
O=C(O)[C@@]1(C(=O)NNc2cc(F)cc(F)c2F)CCCO1	1605935143	BIXGOPINFBMWDN-LBPRGKRZSA-N	304.224	1.181	50	20	DDGD	
O=C(NNC(=O)c1cccc(C(=O)O)c1)OCC(F)(F)F	1601555131	QBTLAKPAJIGYKV-UHFFFAOYSA-N	306.196	1.318	50	20	DDGD	
O=C(CCC1CCCCC1)NNC(=O)[C@H]1CC[C@@H](C(=O)O)C1	1601263737	HESXFGKHLSMOIR-QWHCGFSZSA-N	310.394	1.995	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C=NNC(=O)c1cccnc1	1552448478	SIROBDVHRDYMJM-TZMCWYRMSA-N	313.361	1.699	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@@H]2NCCc3ccccc32)cn1	1579959242	PKIGQMJLBMDBOU-BXUGYJKXSA-N	321.384	1.330	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@@H]1NC[C@@H]2C[C@@H]21	1578265609	FNKSFRLFLXTKOW-SGMGOOAPSA-N	318.446	1.483	50	20	DDGD	
CCN(C)[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843365949	SXTQKBFTXGMBSI-WDEREUQCSA-N	319.808	1.064	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(OCC(=O)O)cc2)nc1	1594106456	VEWKSHIIFGCJHK-UHFFFAOYSA-N	317.301	1.311	50	20	DDGD	
COc1cc(C)ccc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	1591520919	DMJDMKAPTIBOMS-UHFFFAOYSA-N	324.344	1.941	50	20	DDGD	
CC[C@@](COC)(NCCCI)C(=O)O	1595194496	HIFHMIZMZKXGHM-VIFPVBQESA-N	315.151	1.281	50	20	DDGD	
O=C(NNc1ccccn1)Nc1cc(-c2nn[nH]n2)ccc1F	1593166768	MJOBIHOXXYKKRE-UHFFFAOYSA-N	314.284	1.549	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C[C@@H](C)CC(=O)O)c1ccccc1	1594735743	FZGFBBDCXIHOKA-DGCLKSJQSA-N	306.362	1.829	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N(CC(=O)O)CC(C)(C)C)cn1	1594537428	ITFWHFSDVDWNDO-XGICHPGQSA-N	304.350	1.286	50	20	DDGD	
C[C@]1(CNc2ncccc2-c2nn[nH]n2)C[C@@H]1Br	1590136045	QDCXDFKEQWCWCR-GZMMTYOYSA-N	309.171	1.847	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)C2(C(=O)O)CCCCC2)c1	1594625090	CXATUYYSKYTRPJ-UHFFFAOYSA-N	315.329	1.354	50	20	DDGD	
O=C(O)/C=C\c1ccc(C=NNC(=O)NCC(F)(F)F)o1	1776036346	AHUXCSJPFSZWKP-XYFOKMMYSA-N	305.212	1.573	50	20	DDGD	
O=C(O)c1cccc2c(C=NNC(=O)N3CCOCC3)c[nH]c12	1776039940	YCPZSRICNITPPG-UHFFFAOYSA-N	316.317	1.242	50	20	DDGD	
O=C(O)c1cnc2c(c1)C(=NNC(=O)[C@@H]1CCCCO1)CCC2	1776077666	PAZZZISEDRRGKX-AWEZNQCLSA-N	317.345	1.506	50	20	DDGD	
CC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl	1796362533	DZFWLSIHLYUFAO-VLEAKVRGSA-N	320.792	1.157	50	20	DDGD	
O=C(CN1CCSC1=O)NNC(=O)c1c[nH]c2ccccc12	15426553	LXGBDVQJMAGSDD-UHFFFAOYSA-N	318.358	1.098	50	20	DDGD	
CN(C)c1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cn1	150876945	UBSZJSQLOCMKKJ-UHFFFAOYSA-N	301.306	1.813	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNC(=O)c2cccnc2)cc1	160590558	JQPDKEFHBSSMRY-UHFFFAOYSA-N	312.329	1.044	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C2(C)CC2)cc1	157535937	DWQQPZQJXOXGDC-LLVKDONJSA-N	306.362	1.800	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2ccc(C)cn2)cc1	156199063	XTVPTIKOJNTVBX-UHFFFAOYSA-N	314.345	1.272	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(C)nn2C)c([N+](=O)[O-])c1	155269333	LHIRZHGUDCQAME-UHFFFAOYSA-N	305.294	1.402	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2oc(C)nc2C)n1	155901655	HIONBAJSHHHAEZ-UHFFFAOYSA-N	304.354	1.685	50	20	DDGD	
COCC(=O)N1CCN(C[C@@H](CBr)C2CC2)CC1	859076346	HHTGCDIIFWGWJY-GFCCVEGCSA-N	319.243	1.198	50	20	DDGD	
CC(=O)NNC(=O)CC(C)(C)NC(=O)OCc1ccccc1	929181992	BUKUTWICSDCILU-UHFFFAOYSA-N	307.350	1.249	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2cscn2)cc1	103186940	YJZLOLGERBAELY-UHFFFAOYSA-N	306.347	1.025	50	20	DDGD	
COC(=O)NNC(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F	118584395	PIBPCOXOALCKBA-QMMMGPOBSA-N	309.219	1.999	50	20	DDGD	
Cc1ccc(C(C)(C)C(=O)NNC(=O)c2c[nH]nc2C)cc1	110760136	ZKYGXVIPSWVOEW-UHFFFAOYSA-N	300.362	1.765	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cc(Cl)c(Cl)n2C)cn1	117680040	MUFCTZNTAGMQDP-UHFFFAOYSA-N	316.148	1.140	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)C1CC1	63685688	PGEYNWUOCXLJGZ-JTQLQIEISA-N	324.402	1.287	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cc(F)cc2[nH]c(=S)[nH]c12	119508038	LATAVFWQXILQJQ-UHFFFAOYSA-N	311.342	1.717	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])s1	67434385	YQFCAGIPBZMYDR-UHFFFAOYSA-N	321.314	1.740	50	20	DDGD	
O=C(Cc1ccsc1)NNc1nc(-c2ccncc2)no1	170831264	JEQCONNDDAATFQ-UHFFFAOYSA-N	301.331	1.879	50	20	DDGD	
CNC(=O)NNC(=O)c1cccc(COc2cccc(C#N)c2)c1	115344105	MBHHRTYWWCWJTR-UHFFFAOYSA-N	324.340	1.711	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)Nc1nccs1	60971533	PRRHAQFFZIWJRB-UHFFFAOYSA-N	306.347	1.765	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1	171167949	NOESXSRQKGWWHK-QMMMGPOBSA-N	308.363	1.502	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1ccc[nH]c1=O	24688600	ZDNHFZLBIKXQKH-UHFFFAOYSA-N	321.720	1.112	50	20	DDGD	
O=C(Cn1ccc([N+](=O)[O-])n1)NNc1ccc(Cl)c(F)c1	175416086	AFYUYOFKAFFWQV-UHFFFAOYSA-N	313.676	1.727	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Cc1ccccc1F	66785568	PHQRKPKHQJJDJS-UHFFFAOYSA-N	302.305	1.838	50	20	DDGD	
Cc1cnc(CNC(=O)NNC(=O)Cc2ccc(F)cc2)s1	173886790	XMGAXDVYFXCXNM-UHFFFAOYSA-N	322.365	1.664	50	20	DDGD	
Cc1ccc2cc(C(=O)NNC(=O)N3CCOCC3)ccc2n1	178508824	SIUBJVRVDFKYSV-UHFFFAOYSA-N	314.345	1.230	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)NC2CCCCC2)c(C)o1	182771654	UYOZWSPWKOACCV-UHFFFAOYSA-N	315.395	1.722	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1ccc(F)c(F)c1F	182736745	DLZOQLVHPFNFAV-UHFFFAOYSA-N	324.262	1.894	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(-n2nccn2)cc1	184057478	LXZBEFAVSGHYEP-SNVBAGLBSA-N	302.338	1.466	50	20	DDGD	
CCCN(CCC)C(=O)CCC(=O)NNc1cccc(OC)n1	180730584	QXBFKZJTHHIOMD-UHFFFAOYSA-N	322.409	1.962	50	20	DDGD	
CC(C)OCCCCNC(=O)NNc1cncc(Cl)n1	182785829	FAFGWIWIBDGKIT-UHFFFAOYSA-N	301.778	1.961	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)n1	123321107	HSTMKFZCFRORGP-UPJWGTAASA-N	317.393	1.677	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)nc(C)n1	128683948	QGOFKCOQXDTITF-LLVKDONJSA-N	311.345	1.876	50	20	DDGD	
O=C(COc1ccc(F)cc1Cl)NNC(=O)[C@@H]1CCCO1	32258561	IOSKPDKOYWIBDR-NSHDSACASA-N	316.716	1.184	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)Nc1ccnn1C	125539113	FZFVHYGVBJATOV-SECBINFHSA-N	321.312	1.179	50	20	DDGD	
CO[C@H](C)CCC(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	184146977	SEUWNVQZMHECOE-SECBINFHSA-N	322.390	1.714	50	20	DDGD	
CC(C)(C)CCC(=O)NNC(=O)[C@H]1COc2ccccc2O1	78031674	LZOAYJXHXRLSGV-CYBMUJFWSA-N	306.362	1.800	50	20	DDGD	
CNC(=O)NNC(=O)CSc1ccc(C(F)(F)F)cn1	48949769	AIQYOKPQFGWUAW-UHFFFAOYSA-N	308.285	1.153	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNC(=O)Cc2ccncc2)[nH]n1	82977552	WDSKTLYNBOHJNY-UHFFFAOYSA-N	301.350	1.106	50	20	DDGD	
O=C(NCCOc1ccccc1)NNc1nc2ccccn2n1	190429219	GODQFXJGJPMMDU-UHFFFAOYSA-N	312.333	1.434	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1cccc(OCC(F)F)n1	89605264	YMWDGXOGLGPVTF-UHFFFAOYSA-N	310.260	1.128	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl	192725075	UEOKCTKBJKEEKE-UHFFFAOYSA-N	316.688	1.688	50	20	DDGD	
CCOc1ccc(/C=C/C(=O)NNC(=O)C(C)(C)O)cc1C	192918319	AFKVJPIDEOWBRB-VQHVLOKHSA-N	306.362	1.325	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NCc1ccco1	194436594	GQUDMFIWRYSGCH-UHFFFAOYSA-N	303.318	1.327	50	20	DDGD	
C[C@H](Sc1ccccn1)C(=O)NNC(=O)Cc1cccnc1	84974328	UTAAMVKSIZYVRK-NSHDSACASA-N	316.386	1.347	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(C)nc1Br	92930338	CGCGYPNUSCHCJA-UHFFFAOYSA-N	317.143	1.935	50	20	DDGD	
O=C(CC1(C(=O)O)CCCCCC1)NNC(=O)c1ccc[nH]1	238069036	WDABMNHKJUVCQZ-UHFFFAOYSA-N	307.350	1.591	50	20	DDGD	
Cc1ccc(C2(C(=O)NNC(=O)NC3CC3)CCOCC2)cc1	264626930	AEKYOFIXZSAMNZ-UHFFFAOYSA-N	317.389	1.536	50	20	DDGD	
CNS(=O)(=O)C1CCN(/C(=C/C#N)c2ccccc2)CC1	267509609	POWUSXSXOCPRCS-VIZOYTHASA-N	305.403	1.565	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)COc1cc(C)ccc1C	265752474	YXLYWSKQEVRVKC-UHFFFAOYSA-N	317.345	1.694	50	20	DDGD	
CCN(CC)CCSCC(=O)NNc1nccc(OC)n1	266120030	HQQFVZJPYAMTHW-UHFFFAOYSA-N	313.427	1.003	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)CNc1ccc(C)cc1	265922270	YNOJKUDCORNBBI-UHFFFAOYSA-N	302.334	1.419	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccccc1OC(F)F)C1CCC1	264775992	PYLCCGQMSCQJRD-UHFFFAOYSA-N	320.317	1.398	50	20	DDGD	
O=C(NC[C@H]1COC2(CCCC2)O1)NNC(=O)c1ccccc1	271632990	YTVWIJRQKZQTRY-ZDUSSCGKSA-N	319.361	1.316	50	20	DDGD	
CCCc1nnc(NC(=O)NNc2nccnc2OC)s1	274127819	USUIYMYNJMLBGB-UHFFFAOYSA-N	309.355	1.438	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc2c(c1)SCC(=O)N2	368242748	QPJCQBUDZRAIEG-UHFFFAOYSA-N	322.415	1.026	50	20	DDGD	
CCc1[nH]nc(C(=O)NNc2ccc(OC)cn2)c1[N+](=O)[O-]	275756559	OGULHUDEBBMEEB-UHFFFAOYSA-N	306.282	1.041	50	20	DDGD	
COc1cccc(NNC(=O)c2cc3c(cn2)OCCC3)n1	363688644	NDEXWAKQFDHEPN-UHFFFAOYSA-N	300.318	1.567	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNC(=O)CC3CCCC3)(CC1)C2	365293343	DEKZCLAYIUUKME-UHFFFAOYSA-N	322.405	1.838	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)NOC1CCCC1	271625821	NYRROJGDXVSOMA-UHFFFAOYSA-N	311.313	1.409	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)CCO1	271848775	HETDTGDMVPCYJL-UTUOFQBUSA-N	324.352	1.556	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CC(C)C)c(Br)n1	270059628	UFNXFWMSLKGRIF-UHFFFAOYSA-N	314.183	1.960	50	20	DDGD	
CN(NC(=O)CCOc1ccccc1Br)C(N)=O	272172438	JYQMHEKOZPWUDK-UHFFFAOYSA-N	316.155	1.260	50	20	DDGD	
CC1=CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1	270104699	CDPHUVSEAYZNKG-UHFFFAOYSA-N	318.333	1.008	50	20	DDGD	
CN1CCN(Cc2cccc(C(=O)N3CC=C(C#N)CC3)c2)CC1	270893170	CYGDYRADUNPOBR-UHFFFAOYSA-N	324.428	1.730	50	20	DDGD	
Cc1cccc([C@@H](NS(=O)(=O)CBr)C(=O)O)c1	275047348	HULHUNVWUUXTOP-SECBINFHSA-N	322.180	1.393	50	20	DDGD	
C=CCCOCCNC(=O)NNc1cccc(C(=O)OC)c1	272684528	UDSPQVFCOHMXGP-UHFFFAOYSA-N	307.350	1.692	50	20	DDGD	
N#CC1=CCN(CC(=O)NC(=O)NCc2cccs2)CC1	272634228	KVOVGQYSNPJEFA-UHFFFAOYSA-N	304.375	1.230	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N(C)CC1(N(C)C)CCC1	275547675	BICGVHPOVOPODN-UHFFFAOYSA-N	318.421	1.766	50	20	DDGD	
CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NNc1ccncc1	272905339	CKCDEDJPWGCSIE-LLVKDONJSA-N	324.406	1.835	50	20	DDGD	
CC(C)(C(=O)NNC(=O)Cn1cc(Cl)cn1)c1ccccc1	287267346	CGPULLQSJVYMRL-UHFFFAOYSA-N	320.780	1.662	50	20	DDGD	
O=C(CCCC1CCOCC1)NNC(=O)Cc1cccnc1	281948905	RFBYSVUGJLIPGY-UHFFFAOYSA-N	305.378	1.368	50	20	DDGD	
CC[C@@H](C)CCC(=O)NNC(=O)CNC(=O)c1cccs1	285803938	YVIFKENZQBAZLC-SNVBAGLBSA-N	311.407	1.452	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2C[C@@]23CCOC3)c1	372054509	ZECHPEBWZRWWHQ-XJKSGUPXSA-N	315.398	1.412	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)OC)C1	286465565	ZIPVCHRIYHBBIU-MEGULBDMSA-N	306.362	1.622	50	20	DDGD	
COCc1ncc(C(=O)NNc2nc(C)cc(OC)n2)s1	286089884	LZHSVWXJYGUJHB-UHFFFAOYSA-N	309.351	1.153	50	20	DDGD	
CC1(C)OCC(C)(C(=O)NNc2nccnc2C2CCC2)CO1	287231285	PIBDKULOYXGZSA-UHFFFAOYSA-N	320.393	1.976	50	20	DDGD	
Cn1ncc2c1C[C@@H](C(=O)NNC(=O)CC1CCCC1)CC2	281873381	CJXYJSITTYTRDQ-LBPRGKRZSA-N	304.394	1.253	50	20	DDGD	
Cc1nn(CCC(=O)NCC(Cl)Cl)c(C)c1[N+](=O)[O-]	288332661	VOCWAZBPGCAHBN-UHFFFAOYSA-N	309.153	1.718	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(OC)c(OC)c1C	288451395	SYRCGCZGEHUJEE-UHFFFAOYSA-N	309.391	1.307	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H]2CC(=O)N(C)C2)cc1C	291248111	PDPMOPCOQLQWCL-LLVKDONJSA-N	319.361	1.093	50	20	DDGD	
COCc1ncc(C(=O)NNc2ccc(C(=O)OC)cn2)s1	802894084	HHUJGPLFDRQOFC-UHFFFAOYSA-N	322.346	1.228	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl	296177273	LJNLZJQFBMJCBI-UHFFFAOYSA-N	301.686	1.900	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2coc3c2C(=O)CCC3)n1	295421312	VXBNISNECDNZBI-UHFFFAOYSA-N	316.317	1.663	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)COC1CCCC1	298648536	BAPBTEJOZOAZGR-UHFFFAOYSA-N	310.325	1.311	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc(CC)ccc1O	807371873	VGOXSQYJCNOEKG-UHFFFAOYSA-N	324.377	1.505	50	20	DDGD	
CCOC(=O)CC(C)(C)CC(=O)NNC(=O)c1ccccc1F	806293749	ADEYFUNGMPXZPU-UHFFFAOYSA-N	324.352	1.956	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)[C@@H]2CC2(F)F)cc1	296084828	PMBDTUHZQMMFSJ-JTQLQIEISA-N	319.333	1.035	50	20	DDGD	
COc1cccc(OCCC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	295780841	ZKCZAACYBUKVNB-FZMZJTMJSA-N	322.361	1.179	50	20	DDGD	
COc1cc(F)ccc1NC(=O)NNC(=O)[C@H]1CCCCO1	296340538	MISDIRDQABXKRE-LLVKDONJSA-N	311.313	1.556	50	20	DDGD	
COCc1cccc(CC(=O)NNC(=O)N=c2cc[nH]cc2)c1	802031831	NMNVVJVWHBLEHF-UHFFFAOYSA-N	314.345	1.045	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(C)(F)F	294502949	CYAGWYSRPOUARS-UHFFFAOYSA-N	307.322	1.035	50	20	DDGD	
CCN(C)C(=O)c1cccc(NC(=O)NNC(=O)C2CCC2)c1	806777777	OYSRXCBQKAVYGW-UHFFFAOYSA-N	318.377	1.731	50	20	DDGD	
COc1ccc(Cl)cc1NC(=O)NNC(=O)[C@@H]1CCCO1	291989839	ZWZQOKNWJVWKFE-NSHDSACASA-N	313.741	1.680	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2c(C)nsc2C)cc1	295557273	YVIZMKUZIAEFSA-UHFFFAOYSA-N	318.402	1.941	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2ccc(-n3ccnc3)nn2)no1	804958294	RFPPQKPPVBRZPL-UHFFFAOYSA-N	313.321	1.531	50	20	DDGD	
CC[C@@H](C)CONC(=O)NNC(=O)Cc1cn2ccccc2n1	291714628	GQVXLIARKFPNOI-LLVKDONJSA-N	319.365	1.185	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cnc[nH]2)c1C	299630932	KYYDIXJZVUQCFL-LLVKDONJSA-N	302.334	1.255	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H]2CCc3nncn3C2)c1	815857651	NFYIOBSKVINSDG-SECBINFHSA-N	305.313	1.132	50	20	DDGD	
COc1cccc(C=NNC(=O)Cc2cc[nH]n2)c1OC(C)C	814954244	AZHPUTLIEMUSLU-UHFFFAOYSA-N	316.361	1.898	50	20	DDGD	
C[C@@H]1C(=NNC(=O)c2cnccn2)CC[C@H](C(=O)O)C1(C)C	814793467	GFKLUAHRLPLYNM-NXEZZACHSA-N	304.350	1.719	50	20	DDGD	
O=C(CCc1nc(-c2ccsc2)no1)NNC(=O)CC1CC1	819144805	XRSJLJGYUQOOOV-UHFFFAOYSA-N	320.374	1.678	50	20	DDGD	
Cn1nnc2cc(C(=O)NNc3nc4ccccc4n3C)ccc21	816579065	CALUJIXXFGCAKZ-UHFFFAOYSA-N	321.344	1.612	50	20	DDGD	
CCCn1c(C=NNC(=O)Cc2cc[nH]n2)nc2ccccc21	814953670	LMPKORJGNFWSGX-UHFFFAOYSA-N	310.361	1.862	50	20	DDGD	
CC(=NNC(=O)c1cc(-c2ccccc2)on1)c1cnnn1C	814790318	LYXFAUPSPGHTFV-UHFFFAOYSA-N	310.317	1.624	50	20	DDGD	
C[C@H](CCc1cccc(F)c1)C(=O)NNC(=O)c1ccnnc1	817694064	QRAXOUWFULYLGL-LLVKDONJSA-N	316.336	1.646	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1ccccc1-n1cncn1	814837622	DIBJTRSMKGOHDX-UHFFFAOYSA-N	306.329	1.355	50	20	DDGD	
Cc1cccc(Br)c1C(=O)NNC(=O)C(C)(C)O	813529504	BCKKXQCCDYSZNH-UHFFFAOYSA-N	315.167	1.289	50	20	DDGD	
Cn1cc(Br)c(C(=O)NNc2cccc(C#N)c2)n1	815851098	PWWIZTBPTRPRIV-UHFFFAOYSA-N	320.150	1.811	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@](C)(O)C2CCC2)cc1	813366769	WWQMJLSZDHVHQN-MRXNPFEDSA-N	306.362	1.072	50	20	DDGD	
CC1(C)CC(=NNC(=O)c2cnccn2)c2sc(N)nc2C1	814794141	ZKUGJBQATZZIFK-UHFFFAOYSA-N	316.390	1.622	50	20	DDGD	
CCO[C@@H]1COCC[C@@H]1NC(=O)NNc1cccc(Cl)n1	814320503	TVFFNKDBASBRMW-VHSXEESVSA-N	314.773	1.555	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=S)Nc2cccc(C#C)c2)nc1	728986359	XWNRZPMHJAJBTE-UHFFFAOYSA-N	320.377	1.676	50	20	DDGD	
CCn1ccc(NC(=O)NNC(=O)c2cc3c(s2)CCC3)n1	824943778	SOPGNKGMIAEPAA-UHFFFAOYSA-N	319.390	1.920	50	20	DDGD	
O=Cc1ccc(OCC(=O)NNC(=O)NC2CCCC2)cc1	727377029	FEXLWTPOTLJMHS-UHFFFAOYSA-N	305.334	1.151	50	20	DDGD	
CC(C)(C)OC(=O)NC1CC(=NNC(=O)c2cccnc2)C1	495722725	WUQDEOWBQQKJGC-UHFFFAOYSA-N	304.350	1.855	50	20	DDGD	
CCOc1ccc(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	825942659	HPHVVVBUIJYIIB-RISCZKNCSA-N	321.377	1.341	50	20	DDGD	
N#C/C(=C\c1ccc(-c2nn[nH]n2)o1)C(=O)NC1CCCCC1	822796749	XLYVYIFSJCTDNL-CSKARUKUSA-N	312.333	1.816	50	20	DDGD	
C[C@@]1(CNC(=O)/C(C#N)=C/c2ccc(F)cc2)CCC(=O)N1	491176177	NYOIGSULOGNXLA-RCLKMUNOSA-N	301.321	1.518	50	20	DDGD	
CO[C@@H](C)CNC(=O)NNC(=O)CSc1ccc(C)cc1	821470485	VUTIMCKDKUJUSW-NSHDSACASA-N	311.407	1.452	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cnc(C3CC3)s2)cc1	729350099	WUBCOJAFPNNVEG-UHFFFAOYSA-N	312.354	1.967	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](C)c1noc(COC(C)C)n1	491009443	KFDOGVRDPNMVPX-QBQSQJOESA-N	308.338	1.616	50	20	DDGD	
CN1CCC[C@@H](CN(C)C(=O)/C(C#N)=C\c2cnn(C)c2)C1	491006126	CZIBRJGJCQEYNY-QVYJARAXSA-N	301.394	1.127	50	20	DDGD	
CC(C)c1ncncc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	824364800	USCWIBIBIJPEKE-UHFFFAOYSA-N	324.348	1.537	50	20	DDGD	
Cc1c(NC(=O)c2ccc(B(O)O)cc2)cnn1C1CCCC1	584982041	IAZDETIOZRHQFG-UHFFFAOYSA-N	313.166	1.239	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H]1CCCN1C(=O)c1ccccc1	822799381	CCKXQDWVAHYCEQ-CYBMUJFWSA-N	318.377	1.032	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(F)c(Br)c1	823952986	WFQSOUPPMVYWHD-ZETCQYMHSA-N	305.147	1.546	50	20	DDGD	
COCCN(C(=O)/C(C#N)=C\c1cnn(C)c1)C1CCCC1	822707172	LJSFVQYSRYUNOV-ZROIWOOFSA-N	302.378	1.745	50	20	DDGD	
CCN(CCO)NC(=O)[C@H]1CCCCN1Cc1ccccc1	823860759	ZOBLGNUMXSNBMU-MRXNPFEDSA-N	305.422	1.387	50	20	DDGD	
Cc1ncoc1C(=O)NNC(=S)NCCc1cccs1	820168570	DHRUMKUSMHMIFI-UHFFFAOYSA-N	310.404	1.396	50	20	DDGD	
C#CCO[C@@H](C)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	822197360	XQXZZIUXFXZWDV-GVMDUPDNSA-N	304.390	1.389	50	20	DDGD	
COC(=O)[C@@H](C)CS[C@@H](C)C(=O)NNC(=O)CC(C)C	734980890	CLTUWNPHVFFWOI-UWVGGRQHSA-N	304.412	1.111	50	20	DDGD	
CCCN(CCCN(C)C)C(=O)/C(C#N)=C\c1cnn(C)c1	491106821	TYLMAOSAKQWXRG-GDNBJRDFSA-N	303.410	1.517	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(N(C)c2ccccc2)nc1	823971639	XMTYKSUBXKYMHU-ZDUSSCGKSA-N	314.389	1.807	50	20	DDGD	
COC(=O)c1cc(NC(=O)[C@@]2(C)C[C@H]2Br)cn1C	906916440	ZPVSXGAKJXIVOA-SKDRFNHKSA-N	315.167	1.924	50	20	DDGD	
CCc1cccc(OCC(=O)NNC(=O)c2c[nH]nc2C)c1	732082820	NYXFLSJTFSHOOF-UHFFFAOYSA-N	302.334	1.121	50	20	DDGD	
C[C@@H]1CN(C)c2ccccc2N(C(=O)c2ccc(B(O)O)cc2)C1	584950568	FVRJUUSJYFFAFZ-CYBMUJFWSA-N	324.189	1.099	50	20	DDGD	
Cc1c(NCc2ccc(B(O)O)cc2)cnn1CCC(C)C	585035805	YDPUXSXTDWZFBJ-UHFFFAOYSA-N	301.199	1.530	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCCO1)c1ccc(O)c([N+](=O)[O-])c1	834984765	DBDNIZLSPKTBOR-ZDUSSCGKSA-N	307.306	1.710	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)/C=C/c2cccnc2)cc1	490702068	KVHHWRQMNNZMHS-VMPITWQZSA-N	322.324	1.193	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1cc2ccccn2n1	836613577	WGYUBOAHCHCAFR-LLVKDONJSA-N	303.322	1.056	50	20	DDGD	
COc1cccc(C[C@]2(C(=O)NCB(O)O)C[C@H]3CC[C@H]2C3)c1	585059191	CPHXUZSCQZNIQX-ZQIUZPCESA-N	317.194	1.172	50	20	DDGD	
CC(C)(C)NC(=O)CCNC(=O)NNc1c(F)cccc1F	735760403	WLMUVWMJYJMNJY-UHFFFAOYSA-N	314.336	1.896	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@@H]2CC[C@H](C#N)C2)cc(C#N)n1C	491135204	SNEWZBFGDIEJTG-AKMZGAMMSA-N	307.357	1.921	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCCC[C@H]1CC(=O)O	905186464	CZSALGDJNBXFFX-JTQLQIEISA-N	311.831	1.910	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)[C@H]1CC(=O)N(C2CC2)C1	733810837	CMZNALGQXVSSOO-JTQLQIEISA-N	311.345	1.084	50	20	DDGD	
CC(=NNC(=O)Cc1cn2ccccc2n1)[C@@H]1C[C@H]2CC[C@H]1O2	834963592	QTJGGHAUQNTTBV-QLFBSQMISA-N	312.373	1.936	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H](C)C[C@@H](C)N)c1F	831223710	HJFPAEKVNFZKFT-BDAKNGLRSA-N	312.345	1.364	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)NOCC2CC2)cc1	838603179	DYSWBGFWVAXBTN-UHFFFAOYSA-N	309.391	1.759	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@H](C)c2cnn(C)c2)c1	839721791	POBCPBHYGKYYFJ-NSHDSACASA-N	316.361	1.844	50	20	DDGD	
C#CCOc1cccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	831448449	XXKDFJDTBWZHMN-RISCZKNCSA-N	317.345	1.276	50	20	DDGD	
COC(=O)c1cc(C)cc(C(=O)NNC(=O)NC2CCCC2)c1	837372441	IHQCVDRXXJWRNZ-UHFFFAOYSA-N	319.361	1.668	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2)c1cc2ccccc2o1	837454214	FKTIEYYYMQQPRY-WCQGTBRESA-N	312.325	1.809	50	20	DDGD	
Cc1nc(-c2c[nH]c(C(=O)NNc3cccnn3)c2)cs1	736698873	VNLWGIQHHSZMKQ-UHFFFAOYSA-N	300.347	1.994	50	20	DDGD	
O=C(CCc1ccccc1C(F)(F)F)N1CC[C@@H](B(O)O)C1	585066404	LTBAOTWVOZTXKN-LLVKDONJSA-N	315.100	1.713	50	20	DDGD	
CCOc1ccc(CN(C)[C@@H](C)C(=O)NNC(=O)CC)cc1	731848608	IGYQLNKYMLLKBL-LBPRGKRZSA-N	307.394	1.463	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CC[C@H](c3ccc(F)cc3)C2)cc1	585038579	IEENECVQPYUNPP-YJBOKZPZSA-N	313.181	1.931	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNc1cccc(C(=O)OC)c1F	837058644	VREMFCFQGGMDGQ-CYBMUJFWSA-N	323.368	1.930	50	20	DDGD	
O=C(O)NNC(=O)Nc1cccn(Cc2ccccc2)c1=O	833280516	KUSRVQPDDADKDK-UHFFFAOYSA-N	302.290	1.201	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N(C)Cc2cn[nH]c2)cc(C#N)n1C	733982781	GLAIEMVTORUYDA-CPSFFCFKSA-N	308.345	1.494	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1F	831281731	YDMIYSNGWMHDCA-PSASIEDQSA-N	311.313	1.412	50	20	DDGD	
C[C@H]1C[C@H]1c1ccc(C=NNC(=O)[C@H](C)CN2CCOCC2)o1	732766565	TWJCOYUDHTXIJX-GZBFAFLISA-N	319.405	1.821	50	20	DDGD	
O=C(O)NCCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	739937920	IKTBYGVJBFTWPI-UHFFFAOYSA-N	309.366	1.008	50	20	DDGD	
Cc1ncc2c(n1)CCC[C@H]2NC(=O)NNC(=O)CC(C)C	734953773	KKGWJUKQCUCMBA-CYBMUJFWSA-N	305.382	1.539	50	20	DDGD	
O=C(CCCOc1ccccc1F)NNC(=O)c1ccccn1	918280391	MMHWBXYNKZZSJX-UHFFFAOYSA-N	317.320	1.841	50	20	DDGD	
C[C@H]1CCC[C@@H]([C@H](C)NC(=O)NNC(=O)c2cnn(C)c2)C1	836671592	YGYWMIGMFNUBEE-SDDRHHMPSA-N	307.398	1.579	50	20	DDGD	
CCCN1CCC[C@@H]1C(=O)NNc1ccc(F)c(C(=O)OC)c1	837038754	XNSPFOQZHKEPDC-CQSZACIVSA-N	323.368	1.930	50	20	DDGD	
CC(C)Oc1ccc([C@H](O)CNS(=O)(=O)CCl)cc1	830644673	YLGIOICADKZTLY-GFCCVEGCSA-N	307.799	1.623	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NNc1cc(O)nc2ncccc12	913987893	DXLMGHLTJBTGHE-GFCCVEGCSA-N	315.377	1.651	50	20	DDGD	
COCCOCCNC(=O)NNc1ccc(C)cc1Cl	837659116	BVMGVLVAGXFGCY-UHFFFAOYSA-N	301.774	1.938	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C[C@@H]2CCCC[C@H]2O)ccc1F	837039675	SUWXLFDKZDFXKN-IINYFYTJSA-N	324.352	1.997	50	20	DDGD	
O=C(CSCc1cccnc1)NNC(=O)CC(F)(F)F	919751814	ZZEUIPJNENARQX-UHFFFAOYSA-N	307.297	1.415	50	20	DDGD	
CCn1nncc1C=NNC(=O)c1ccc(OC)cc1OC	841623315	HBSWHVZRRLNXFH-UHFFFAOYSA-N	303.322	1.079	50	20	DDGD	
COc1cccc(NNC(=O)NCC[C@H]2C[C@H]3CC[C@H]2O3)n1	841589923	LTEPLXGAZHYTHY-QJPTWQEYSA-N	306.366	1.674	50	20	DDGD	
COC[C@@](C)(O)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	748730124	JVBJBRFJVHFPDJ-LLVKDONJSA-N	303.702	1.089	50	20	DDGD	
COc1cc(CO)ccc1C(=O)NNC(=S)NCC1CCC1	912106875	LXKOIZSHKRYSHE-UHFFFAOYSA-N	323.418	1.097	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H]2C[C@@H](C(=O)OC)C2)cc1	840454801	MBUBZZKXICVPQQ-KLPPZKSPSA-N	307.350	1.663	50	20	DDGD	
Cc1cc(C)n([C@@H](C)CC(=O)NNC(=O)c2ccccc2)n1	915689382	JZWWPHGIGFHUNY-ZDUSSCGKSA-N	300.362	1.912	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H](C)Oc1ccc2c(c1)CCC2	745139815	UVOSZUOWNBAAKT-LLVKDONJSA-N	305.378	1.681	50	20	DDGD	
CO[C@H](C=NNC(=O)COc1cccc(C)c1)[C@@H]1CCOC1	841607849	ZTLBGFJPVIRIBL-UKRRQHHQSA-N	306.362	1.527	50	20	DDGD	
COCCOCc1ccc(C=NNC(=O)[C@@H]2CCO[C@H]2C)cc1	842561100	OJBRZLAKEQKRLT-XJKSGUPXSA-N	320.389	1.725	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1ccccn1)N1CCc2ccccc21	847281049	RJEKKPANIQFBKB-CYBMUJFWSA-N	324.384	1.684	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(N2CCOC2=O)ccc1C	743242629	VPRVRXZJDAADSK-UHFFFAOYSA-N	308.294	1.344	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H](NC(C)=O)C(C)C)cc1	846370496	LRAAZEMTAKQTKN-HNNXBMFYSA-N	321.377	1.006	50	20	DDGD	
CC(=NNC(=O)c1nnc(O)c2ccccc12)c1cn(C)nc1C	917538441	NRQLXKWTRSFFDU-UHFFFAOYSA-N	324.344	1.531	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCC[C@@H](OC3CCC3)C2)cn1	848302905	FFWBQDMZLCCOSS-FCONWMNKSA-N	314.389	1.887	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2C[C@H](C)[C@@H](C)[C@@H]2C)n1	842167838	XEKDYQCECOHGSO-WCQGTBRESA-N	324.450	1.118	50	20	DDGD	
CCCC[C@@H](CN)NC(=O)NNC(=O)COc1cccc(C)c1	841959282	PCNXYYJZLFMZQF-ZDUSSCGKSA-N	322.409	1.222	50	20	DDGD	
CO[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1cccc(C#N)c1	845470542	DNDGAGNTHOXVCE-ZIAGYGMSSA-N	316.361	1.460	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)[C@@H]1C[C@]12CCOC2	848322134	QWFSVYFFMJJIEA-KWQFWETISA-N	313.155	1.109	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1cc(Cl)ccc1O	748260423	SPKMJEGLZMCJNN-SNVBAGLBSA-N	314.769	1.937	50	20	DDGD	
O=C(NN=C1CCC(F)(F)CC1)N[C@@H]1CCS(=O)(=O)C1	842524863	INVZXNZTTKVRFF-SECBINFHSA-N	309.338	1.038	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1cc(F)ccc1OC	842581454	KUDKUHVHBAAGLO-UHFFFAOYSA-N	319.358	1.127	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccccc1	843276356	BGNAAOZKZZDLTL-LOWVWBTDSA-N	307.419	1.668	50	20	DDGD	
Cc1nnc(-c2cccc(C(=O)NNC(=O)NC(C)C)c2)o1	746176390	LEDULJCYVKFIDA-UHFFFAOYSA-N	303.322	1.397	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CC2)ccc1N1CCOCC1	843752494	SNWOXHRFPONMQJ-UHFFFAOYSA-N	303.362	1.003	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1nnc(C(C)(C)C)s1	929885564	LRWOLQIZYKUJEZ-UHFFFAOYSA-N	309.395	1.792	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCC[C@H]2CCNC2)cc1	841938700	OWIFEWDPEDENKV-CYBMUJFWSA-N	304.394	1.193	50	20	DDGD	
C=C[C@H](CC)CC(=O)NNC(=O)Cn1cnc2ccccc21	929257769	VZAKBIMKCZZUMG-GFCCVEGCSA-N	300.362	1.786	50	20	DDGD	
COCCOc1ccccc1C=NNC(=O)Cc1ccncc1	751530200	WUAOQMIABKSUSQ-UHFFFAOYSA-N	313.357	1.800	50	20	DDGD	
Cc1ncc(S(=O)(=O)NC[C@]2(C)C[C@@H]2Br)n1C	859234036	KSRGWYISHVLKPM-WPRPVWTQSA-N	322.228	1.180	50	20	DDGD	
CN(C)[C@@H]1CCCN(C(=O)NC[C@@]2(C)C[C@H]2Br)C1	856956722	TYWXVKXWQDMXQS-NQBHXWOUSA-N	318.259	1.896	50	20	DDGD	
CC(C)C[C@@H]1CCN(C(=O)NNC(=O)c2cccc(F)n2)C1	852709345	SLYKTDCETBNLKL-NSHDSACASA-N	308.357	1.943	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1nc2cnccc2s1	857491063	OGOMGQWEVWIHOH-UHFFFAOYSA-N	306.738	1.892	50	20	DDGD	
COc1cc(C=O)ccc1OCC(=O)NNc1ccccn1	759604662	CELKUHJPIJYGEE-UHFFFAOYSA-N	301.302	1.425	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)[C@@H](C)CS(C)(=O)=O	928338833	BHUYONYDECKXGP-VIFPVBQESA-N	304.799	1.772	50	20	DDGD	
COc1cc(CCC(=O)NNc2ncccc2[N+](=O)[O-])on1	857152536	YHTCRCJKKINVIY-UHFFFAOYSA-N	307.266	1.062	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](C(C)C)N(C)C)c1C	855625693	DZPAIBZKLWVPIT-AWEZNQCLSA-N	307.394	1.811	50	20	DDGD	
CCCN1CC[C@@H](NC(=O)NNC(=O)Cc2ccccc2C)C1	852629452	BPFAIASTYBKQFW-OAHLLOKOSA-N	318.421	1.352	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(F)c(F)c(O)c1F	755155531	GBLGKKWXIPUSEG-UHFFFAOYSA-N	305.256	1.554	50	20	DDGD	
CO[C@H]1COCC[C@@H]1CNC(=O)NNc1cc(F)ccc1C	854105809	KAXZHHGQXCRBQF-RISCZKNCSA-N	311.357	1.812	50	20	DDGD	
CCC(C)(C)N[C@H](C)C(=O)NNC(=O)c1cccc(Cl)n1	857323139	CITUVLVINLWWQS-SECBINFHSA-N	312.801	1.663	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cccc(F)c1OC(F)F	853331386	QVQXYQLVUQVJFK-UHFFFAOYSA-N	319.239	1.233	50	20	DDGD	
C=C[C@@](C)(CC)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855834141	ZXVMWAOYLDZPDX-INIZCTEOSA-N	311.426	1.679	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(CF)cc1	854387885	NUSNQKNBLCXPBU-UHFFFAOYSA-N	312.341	1.706	50	20	DDGD	
C/C=C(\C)C(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1	750900319	PYZABCXQPVOROA-YCRREMRBSA-N	310.737	1.610	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2ccc(Cl)cc2F)CCOC1	754327875	VYYWNMVRZDGVSH-CYBMUJFWSA-N	300.717	1.667	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC2CCC(C)(O)CC2)c1	858285906	FPCUPTCFPANSBP-UHFFFAOYSA-N	311.407	1.694	50	20	DDGD	
CCNC(=O)NN=C1CCN(Cc2ccc(OC)cc2)C1=O	853294780	DJAFRDVEMPRHAM-UHFFFAOYSA-N	304.350	1.103	50	20	DDGD	
COc1cc(C(=O)NN=Cc2cnc[nH]2)ccc1OC(C)C	755569768	MWQWIDABNQAFCU-UHFFFAOYSA-N	302.334	1.969	50	20	DDGD	
O=Cc1cc(C(=O)NNC(=O)NCCc2cccs2)cs1	754989696	SQWFELWSTJDZSA-UHFFFAOYSA-N	323.399	1.809	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cn(C)nc1C1CCC1)C1CC1	855095254	KAZDSHFVKDCODM-VIFPVBQESA-N	321.450	1.595	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCCC1(O)CCOCC1	854058862	VJJDRVFGPNQAIY-UHFFFAOYSA-N	311.357	1.692	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@H](CO)c1ccc(F)cc1	753343723	IHJOLGNFBHLSBB-CYBMUJFWSA-N	309.341	1.380	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc2c(c1)CCCCC2=O	854921729	YNQORCYEUZYMPB-UHFFFAOYSA-N	305.403	1.677	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](O)CCSC)c1C	855625831	KKPRXAXWYZTESN-GFCCVEGCSA-N	312.391	1.339	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@@H]1CCCN1S(C)(=O)=O	855365405	KYJGKWWHKMPKOC-LBPRGKRZSA-N	315.370	1.001	50	20	DDGD	
Nc1ncc([N+](=O)[O-])cc1C(=O)NNc1cccc([N+](=O)[O-])c1	758384245	IFDVBJQLHJFPMJ-UHFFFAOYSA-N	318.249	1.237	50	20	DDGD	
COCCn1cc(NC(=O)NNc2ccnc(Cl)c2)cn1	853831206	ZDCMGDFKMANXKX-UHFFFAOYSA-N	310.745	1.727	50	20	DDGD	
Cn1ncc(C2CC2)c1C=NNC(=O)COCc1ccccc1	853309857	KCEVLFDOIMQRIY-UHFFFAOYSA-N	312.373	1.964	50	20	DDGD	
CCCCCc1nnc(NC(=O)NNC(=O)COC)s1	755428645	UYZJMFAHVJIBGE-UHFFFAOYSA-N	301.372	1.070	50	20	DDGD	
Cc1nc(C=NNC(=O)c2ccc3c(c2)OCCO3)cs1	767490322	XKUQQHVOUYGNNL-UHFFFAOYSA-N	303.343	1.987	50	20	DDGD	
COc1c(C(=O)NNCC(F)(F)C(F)(F)F)c(C)nn1C	863096159	XUHNRYALCGEZQE-UHFFFAOYSA-N	316.230	1.169	50	20	DDGD	
N#C/C(=C/c1cn(CC(=O)O)nn1)C(=O)c1c[nH]c2ccccc12	768848276	NAVQIAZASRLKKT-YHYXMXQVSA-N	321.296	1.634	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2c(C3CC3)cnn2C)c1	862480248	ANQVKJWPAMPYOA-UHFFFAOYSA-N	304.375	1.742	50	20	DDGD	
COc1cccc([C@@H](OC)C(=O)NN[C@H](C)C(F)(F)F)c1	862321546	BADOTUPBRKSSCR-LDYMZIIASA-N	306.284	1.954	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H](C)OCc2ccncc2)n1	868905140	AEUXQVQBDNXAIU-VIFPVBQESA-N	321.768	1.882	50	20	DDGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)CC[C@H]2C1	766272172	PYYPOJDWTJZZLE-WACFDSSMSA-N	312.329	1.766	50	20	DDGD	
COCCN(C)NC(=O)c1cc(Br)cc(F)c1O	868241935	SDCCFASXJHUEPU-UHFFFAOYSA-N	321.146	1.517	50	20	DDGD	
CC1(OCC(=O)NNC(=O)CSc2ccccc2O)CCC1	764042620	KZJVCPMKBIGGBN-UHFFFAOYSA-N	324.402	1.591	50	20	DDGD	
C[C@@H](NNC(=O)c1cccnc1N1CCCC1)C(F)(F)F	862304551	CHWWGBIZCFYCIW-SECBINFHSA-N	302.300	1.867	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cccc([C@@H]2CCOC2)c1	762101552	IXIQUJSXHRYVSA-GFCCVEGCSA-N	302.309	1.877	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1CCCN(CC(F)(F)F)C1)C(F)(F)F	862309660	SKCMMEOIJCMMQP-JGVFFNPUSA-N	321.265	1.832	50	20	DDGD	
C[C@@H]1CO[C@H](CO)CN1C(=O)[C@@H](Br)C(C)(C)C	768273899	DAWIJDUGZAWHAX-KXUCPTDWSA-N	308.216	1.404	50	20	DDGD	
Cn1c(C(=O)NNc2ccccc2[N+](=O)[O-])ccc1[N+](=O)[O-]	761344567	SLIVSDYNMWNVRL-UHFFFAOYSA-N	305.250	1.598	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NNc1c(F)cccc1F	766277716	FDXCTGAQWLKTGU-LDYMZIIASA-N	312.320	1.506	50	20	DDGD	
Cc1ccc2c(c1)[C@H](NC(=O)NNC(=O)CC(F)(F)F)CO2	764375193	OINHBCNCLOGLSD-SECBINFHSA-N	317.267	1.711	50	20	DDGD	
CCN(CC(=O)NNC(=O)Cc1ccccc1C)CC(C)C	1116412816	LFQUEEUQELIIOB-UHFFFAOYSA-N	305.422	1.663	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(C(=O)NC(C)C)cc1C	878400816	IBKZTARNJMKQJQ-UHFFFAOYSA-N	322.409	1.748	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C	870396766	PLVVSZGNNWOXMD-KLOBIAMYSA-N	323.393	1.944	50	20	DDGD	
CCC[C@@H](CC)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	873751537	STNUOMKATMKSPH-RISCZKNCSA-N	306.362	1.800	50	20	DDGD	
CCC(CC)n1nc(C(=O)NNC(=O)NCC2CC2)cc1C	776707438	YUNUNGUKNPNUDP-UHFFFAOYSA-N	307.398	1.907	50	20	DDGD	
C[C@H](C(=O)NNc1cc(Cl)ccc1F)N1C(=O)CCC1=O	871272477	RTZHKWYVQFEPRQ-SSDOTTSWSA-N	313.716	1.460	50	20	DDGD	
COC(OC)c1ccc(C(=O)NNC(=O)c2cccnc2)o1	771601486	JUIWUBPGMWWSQX-UHFFFAOYSA-N	305.290	1.041	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H]1CC1(F)F	873770735	WKJPHGBXKBELLH-ZETCQYMHSA-N	301.318	1.668	50	20	DDGD	
Cn1cc(C(=O)NN=C2CCCN3CCCC[C@@H]23)ccc1=O	872426760	JJBAOJGTNFQACW-AWEZNQCLSA-N	302.378	1.119	50	20	DDGD	
Cc1cc(NC(=O)NNc2ccccn2)ccc1-n1cnnn1	779020438	UDHHYOGLWSOHFE-UHFFFAOYSA-N	310.321	1.514	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)N[C@H]1CC12CCC2	873255892	KDTOYSXZIGYKMU-OLZOCXBDSA-N	317.345	1.099	50	20	DDGD	
Cc1cc(F)ccc1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	772207668	QAKWKDICAFLRAG-NSHDSACASA-N	324.352	1.873	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@H]1CCc2cc(O)ccc2C1	775068265	BRFMZTJMQKZXFA-LBPRGKRZSA-N	314.345	1.222	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C1CCOCC1)c1cccc(O)c1	883399254	IITDURDLAMLHOI-JTQLQIEISA-N	307.350	1.210	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)N1CCN(C)CC1)c1ccccc1	773658886	POOQYQOMOYVREH-OUKQBFOZSA-N	302.378	1.078	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1CCc2cc(C)ccc2O1	887148036	LMJCACJTYSUNQQ-OAHLLOKOSA-N	300.358	1.640	50	20	DDGD	
O=C(Cc1nc2ncccn2n1)NNc1c(F)cccc1Cl	770197335	RXOIWBABPHPOKQ-UHFFFAOYSA-N	320.715	1.603	50	20	DDGD	
O=[N+]([O-])c1ccc(OCCNS(=O)(=O)CCCCl)cc1	881874701	DZPIJCFKYRNKAS-UHFFFAOYSA-N	322.770	1.522	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)C1CCOCC1)c1ccccc1	883068464	VTSDKPIMAMXKLR-MRXNPFEDSA-N	306.362	1.122	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1cc(O)cc([N+](=O)[O-])c1	780629718	VBEKAGZPULWMEF-UHFFFAOYSA-N	308.681	1.528	50	20	DDGD	
CC(=O)N1C[C@@H]2CN(C[C@H](CBr)C3CC3)C[C@@H]2C1	880314264	YAOGJJSNBZTVMP-MELADBBJSA-N	315.255	1.818	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ccccc2Cl)nn1C	784775766	YKQGJGAAHODBIV-UHFFFAOYSA-N	307.741	1.464	50	20	DDGD	
O=C(NCC(F)(F)F)NN=C1CCOC2(CCOCC2)C1	884420219	MTYAJMSGNDDYIC-UHFFFAOYSA-N	309.288	1.564	50	20	DDGD	
C[C@@H]1C[C@H]2CC[C@@H](C(=O)NNC(=O)CC(F)(F)F)CN2C1	1123903624	SSSGXFGUMBZFDQ-OPRDCNLKSA-N	307.316	1.207	50	20	DDGD	
Cc1cc2cc[nH]c2cc1NC(=O)NNC(=O)c1c[nH]nc1C	782091044	RONIMICUFPFPQX-UHFFFAOYSA-N	312.333	1.974	50	20	DDGD	
O=C(NN=Cc1cn(Cc2cccnc2)nn1)c1ccccc1F	783788974	MPTFVKBEXRAVKX-UHFFFAOYSA-N	324.319	1.624	50	20	DDGD	
CCn1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)nn1	899346098	BIZZJVSODAVJFS-JYRVWZFOSA-N	311.345	1.530	50	20	DDGD	
CC[C@@H](CO)NC(=O)NNC(=O)c1ccc2ccccc2c1	780962867	AKGUHWWSXOMURQ-AWEZNQCLSA-N	301.346	1.555	50	20	DDGD	
N[C@H]1C[C@H](CNC(=O)NNc2cccc(Br)n2)C1	892568704	YDGISASIUWLWNY-ZKCHVHJHSA-N	314.187	1.208	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1ccc(N(C)C(C)C)nc1	790164742	XUEYSEKUFLYJID-UHFFFAOYSA-N	300.366	1.722	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCc2cnc(C)s2)n1	793010189	OOAXJHGQYZMOHJ-UHFFFAOYSA-N	319.390	1.342	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CSc1nncs1	798311589	DMANCLPSDLKVAH-UHFFFAOYSA-N	323.403	1.792	50	20	DDGD	
CCN(Cc1ccoc1)C(=O)NNC(=O)c1cccc(C)n1	793227630	FMRFTJMWTGJQQO-UHFFFAOYSA-N	302.334	1.860	50	20	DDGD	
CCCCCCN(C)CC(=O)NNC(=O)NCC(F)(F)F	798316261	MGKDOAFCOQFSBU-UHFFFAOYSA-N	312.336	1.391	50	20	DDGD	
Cc1ccnc2ccc(C(=O)NNC(=O)Cc3cccnc3)cc12	796143191	XTTPPXSAPSMKSB-UHFFFAOYSA-N	320.352	1.942	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccoc1)c1c[nH]c2ccccc12	795277522	QMPUOEAAWJYUJE-UHFFFAOYSA-N	305.315	1.384	50	20	DDGD	
COCCO[C@@H]1COCC[C@@H]1NC(=O)NCCSSC	790829901	FDNFXQUCZRACCM-WDEREUQCSA-N	324.468	1.117	50	20	DDGD	
O=C(NN=C[C@@H]1CCCSC1)c1ccc(-n2cnnn2)cc1	794883278	XAVQYYTWCVVOBC-NSHDSACASA-N	316.390	1.521	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H](C)N(C)CC(F)(F)F	793971608	NAWNYLDIOVRZHR-VIFPVBQESA-N	319.331	1.926	50	20	DDGD	
C[C@H]1CN(Cc2ccccc2)CC1=NNC(=O)C[N+](C)(C)C	794455247	DELVMCLVKOTWAM-AWEZNQCLSA-O	303.430	1.317	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CN(C)C)c1ccc(C(F)(F)F)cc1	799099988	BGBYEUOSCCWNCW-SECBINFHSA-N	317.311	1.518	50	20	DDGD	
COc1coc(C(=O)NNC(=O)c2ccccc2C)cc1=O	798839660	ZKMVJSMHSANNII-UHFFFAOYSA-N	302.286	1.032	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)c1cncn1-c1ccccc1	1319588868	VVJWFBZBDKSIDA-UHFFFAOYSA-N	316.361	1.306	50	20	DDGD	
CC(=NNC(=O)C[N+](C)(C)C)c1ccc(-n2ccnc2C)cc1	1321219100	BJPMRXSOHQYWOS-UHFFFAOYSA-O	314.413	1.727	50	20	DDGD	
C[C@H](NC(=O)NN(C)c1ccccc1)C(=O)NCC(F)(F)F	1321175994	RQISCLCMMHYWBP-VIFPVBQESA-N	318.299	1.404	50	20	DDGD	
C[C@@H](Oc1cccnc1)C(=O)NNC(=O)c1ccccc1Cl	1321905652	NTZYFVWBIPUFAR-SNVBAGLBSA-N	319.748	1.964	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cc(C(C)(C)C)nn1C	1321163908	SZROWKVXJZWWDL-UHFFFAOYSA-N	319.369	1.665	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1n[nH]c2c1CCCC2)C(F)(F)F	1326218994	NAEVHMVBUYUBEB-LURJTMIESA-N	319.287	1.183	50	20	DDGD	
CC[C@@H]1CCCN1C(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1328960484	ANOKAEWQZNXRLH-BREBYQMCSA-N	317.227	1.677	50	20	DDGD	
Cc1nc(C(=O)NNc2nc(-c3cccnc3)no2)ccc1C#N	1251767761	AJLWJDKLBOLZLP-UHFFFAOYSA-N	321.300	1.464	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)C1(Sc2ccccc2)CC1	1337766471	OKJFSVJHJGQSJU-UHFFFAOYSA-N	316.386	1.425	50	20	DDGD	
O=C1N[C@H]2CN(C(=O)c3cccc(CCl)c3)CC[C@@H]2CO1	1336536060	IFOYMHILIJCLPK-OLZOCXBDSA-N	308.765	1.996	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)NCCC2CC2)C[C@@H]1Br	1261766465	IKJZTTORHXPVME-JOYOIKCWSA-N	303.200	1.192	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)NNc1ccc(C(C)(C)C)nn1	1355332768	BTIQNXNIDOCNDI-SNVBAGLBSA-N	305.382	1.228	50	20	DDGD	
CO[C@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)c1ccccc1	1604993460	DPCKJETZKACQIV-AWEZNQCLSA-N	324.344	1.698	50	20	DDGD	
Cc1c(NNC(=O)Nc2ccc(=O)n(C)c2)cccc1C(=O)O	1600055858	LHNROVOFXCFJOC-UHFFFAOYSA-N	316.317	1.541	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cn(CC3CC3)nn2)c(F)c1	1602384708	UPSQWVOXWGAIOH-UHFFFAOYSA-N	319.296	1.282	50	20	DDGD	
CCc1ccc(CC(=O)NNc2ncccc2C(=O)O)nc1	1603969131	ZGQUULMMUUDLQM-UHFFFAOYSA-N	300.318	1.423	50	20	DDGD	
O=C(CCc1cncnc1)NNc1cccc(C(=O)O)c1F	1601293530	ROOZRITVTIDAKZ-UHFFFAOYSA-N	304.281	1.390	50	20	DDGD	
O=C(O)[C@@H]1CC(F)(F)CN1CCCI	1608801892	GVNRTDOWRNABSI-LURJTMIESA-N	319.089	1.606	50	20	DDGD	
Cc1conc1CNC(=O)NNc1ccc(C(=O)O)cc1F	1600645099	SZMUDLJYGLJMMF-UHFFFAOYSA-N	308.269	1.647	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1ccc(OCC(F)(F)F)cc1	1602071983	GLQSYXGVEUBSSB-UHFFFAOYSA-N	319.239	1.345	50	20	DDGD	
C[C@@H]1CNCC[C@H]1NC(=O)NNc1ccc(C(=O)O)cc1F	1609878568	PLXFRHNZFJMJMI-LDYMZIIASA-N	310.329	1.148	50	20	DDGD	
Cn1ncc(C2CC2)c1C(=O)NNc1ccc(C(=O)O)cn1	1608157104	MHBLCCIDOIBHGG-UHFFFAOYSA-N	301.306	1.148	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1cccc(C(=O)O)c1F)[C@H]1CCCO1	1602674293	ONKOVHXHBBXQQS-ZYHUDNBSSA-N	321.308	1.331	50	20	DDGD	
O=C(NCc1ccccc1)NNC(=O)[C@H]1CCCC[C@H]1C(=O)O	1601542877	QZDOYOVXMAPESZ-QWHCGFSZSA-N	319.361	1.408	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2ccc(C(=O)O)cc2F)CCN1C	1604677851	YMHRIGYOHIMKAN-MWLCHTKSSA-N	324.356	1.633	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc(C(=O)O)cc2F)c(Cl)n1	1600931902	GXRLMKULECYKPH-UHFFFAOYSA-N	312.688	1.668	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccnc(C(=O)O)c2)cc1F	1610485009	VULSEOPLEXWDTR-UHFFFAOYSA-N	317.276	1.302	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1cnc(C)s1	1549321407	SMEHWKLCZXPPSK-RYUDHWBXSA-N	308.407	1.155	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H](C)C2CNC2)c(C)c1	1579723046	WCJVUQPWCBMWFI-LLVKDONJSA-N	306.435	1.477	50	20	DDGD	
C[C@@](N)(C(=O)N1CC=C(C#N)CC1)c1cccc([N+](=O)[O-])c1	1576081188	KLDROQXRNQRFDX-HNNXBMFYSA-N	300.318	1.451	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cc2cccc(N)c2)c1F	1578878007	NUBSJNKRRGSZQG-UHFFFAOYSA-N	317.320	1.880	50	20	DDGD	
CO[C@H]1CN[C@](C)(C(=O)NNc2ccc(C(F)(F)F)cn2)C1	1573961431	SJCQYASGTYSZED-SKDRFNHKSA-N	318.299	1.311	50	20	DDGD	
O=C(NNC(=O)[C@H]1CNCCC12CCC2)c1ccc(Cl)nc1	1580736256	PXUFDDOTSMIEDW-LLVKDONJSA-N	322.796	1.276	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1)C1=NOC2(CCNCC2)C1	1580737081	JOXHOGNMTZUXQW-UHFFFAOYSA-N	308.769	1.682	50	20	DDGD	
N[C@H]1CCSC2(CC(C(=O)NNc3ncccc3F)C2)C1	1580200702	TVAUDTYVFNFKKT-XIRUVYRFSA-N	310.398	1.667	50	20	DDGD	
CN(NC(=O)c1cscc1-c1nn[nH]n1)C(=O)OC(C)(C)C	1591154527	VVSIBYBDFZNUCV-UHFFFAOYSA-N	324.366	1.440	50	20	DDGD	
O=C(O)[C@]1(C(=O)NNc2ncncc2Cl)C[C@H]2CC[C@H]1C2	1594867677	QHTJEAWABRSZQN-UVPNAGLESA-N	310.741	1.464	50	20	DDGD	
C[C@H]1Oc2c(ccc(Cl)c2Cl)C1=NNC(=O)C(=O)O	1594651514	SFTWEHLCGBMVCF-SCSAIBSYSA-N	303.101	1.679	50	20	DDGD	
Cc1cc(=NC[C@]2(C)C[C@@H]2Br)c(-c2nn[nH]n2)c[nH]1	1592041344	FGKCGWIEMDNJDL-JQWIXIFHSA-N	323.198	1.577	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC2(CC1)C[C@@H]2C(=O)O	1590701641	NFNPWRHYQVVOOZ-SNVBAGLBSA-N	323.842	1.768	50	20	DDGD	
O=C(NNC(=O)[C@@]1(C(=O)O)CC=CCC1)c1ccc(Cl)cc1	1594778975	GRDAETDWGGBIHA-OAHLLOKOSA-N	322.748	1.912	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccc(N)cc2)ccc1C(=O)O	1776014864	IUWYQFIADAYPRC-UHFFFAOYSA-N	313.313	1.740	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NN=Cc1c(F)cc(C(=O)O)cc1F	1776102706	WKZGTGAGCFLYTC-PELKAZGASA-N	312.272	1.538	50	20	DDGD	
CC(=NNC(=O)c1cnsn1)c1cccc(OCC(=O)O)c1	1776104990	KBEQAUPOERSNLH-UHFFFAOYSA-N	320.330	1.156	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1ccc(/C=C/C(=O)O)o1	1776029341	ISVXGISIYGHYHS-SNGBSLQCSA-N	320.330	1.488	50	20	DDGD	
Cc1ccc(SCCC(=O)NNC(=O)c2cnn(C)c2)cc1	14895931	WZKYLRLGPYJCCV-UHFFFAOYSA-N	318.402	1.672	50	20	DDGD	
C[C@@H](Sc1ccccn1)C(=O)NNc1ncnc2nc[nH]c12	160997754	NZOYXAKVMHWNFO-MRVPVSSYSA-N	315.362	1.372	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)c1c[nH]c2ccccc12)c1cccnc1	152124015	SULRPVBFGOQLSF-HNNXBMFYSA-N	324.340	1.712	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cc(C)n[nH]2)cc1F	153213829	ODAFBFLKFWVQDC-UHFFFAOYSA-N	320.324	1.260	50	20	DDGD	
Cc1nn(C)c(=O)c(C(=O)NNc2cccc(Cl)c2)c1C	156789676	ACXUDJBLIWDDPE-UHFFFAOYSA-N	306.753	1.807	50	20	DDGD	
COc1ccc(NNC(=O)c2ccnc(-n3ccnc3)c2)nc1	159433689	XBTYNWDLHSUSKY-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
COc1ccc(NNC(=O)CSCc2cscn2)nc1	159342577	MGRAAACABQRWNK-UHFFFAOYSA-N	310.404	1.923	50	20	DDGD	
C=CC[C@@H](CO)CNS(=O)(=O)c1ccc(CCl)cc1	914329340	QFTRDWPHQTUDNE-GFCCVEGCSA-N	303.811	1.888	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)COc2ccccc2F)cc1	7593739	UOPVZQBXYZYXFW-UHFFFAOYSA-N	313.288	1.537	50	20	DDGD	
Cc1ccc2oc(C(=O)NNC(=O)Cc3cccnc3)cc2n1	171561972	BZMWVLRNOOQYQB-UHFFFAOYSA-N	310.313	1.535	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H](C)SCc1ccccc1	119932493	CGUAEEZWHZYBKJ-LLVKDONJSA-N	309.460	1.990	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cc(Cl)ccc1F	103424391	VLHKKONQTPRBPZ-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
CN1CCC(NC(=O)NNC(=O)c2cc3ccccc3o2)CC1	175556905	XOMHICCXXRNPEH-UHFFFAOYSA-N	316.361	1.471	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)c(F)c1)NNc1ccccc1	111554759	CQSZDKDXYGBPLP-UHFFFAOYSA-N	305.284	1.838	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)/C=C/c2cncc(F)c2)cc1	104342704	ZIALFZBRXGBAGM-ZZXKWVIFSA-N	310.288	1.567	50	20	DDGD	
Cc1ccc(C(=O)C(=O)NNC(=O)CNc2ccccc2)cc1	104830475	MBETWLMWEQDXCW-UHFFFAOYSA-N	311.341	1.437	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc2c(c1)OCCCO2	68266597	HRNNHHGDPQQGQX-UHFFFAOYSA-N	307.350	1.592	50	20	DDGD	
CC(=O)c1csc(C(=O)NNC(=O)c2ccccc2O)c1	106902465	BNWWIICPDTUCNC-UHFFFAOYSA-N	304.327	1.731	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H]2CSc3ccccc32)n1	118312085	YBOJCJPLQGZHNJ-JTQLQIEISA-N	302.359	1.818	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)NCCC1CC1	176484430	ANCAIIDDTHXIOH-UHFFFAOYSA-N	300.362	1.772	50	20	DDGD	
COCCCCCNC(=O)NNC(=O)CCOc1ccccc1	64229110	VLLCQMAGFHHUDO-UHFFFAOYSA-N	323.393	1.603	50	20	DDGD	
O=C(CCc1ccccn1)NNC(=O)NCCc1cccs1	63244774	SZJBOFOATMQFLT-UHFFFAOYSA-N	318.402	1.649	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(F)c(F)c2)nc1	179790284	CAALYAADNUUWJC-UHFFFAOYSA-N	307.256	1.903	50	20	DDGD	
Cn1ccnc1SCC(=O)NNC(=O)c1cccc(Cl)c1	66275614	MXGPOJKJGWFONY-UHFFFAOYSA-N	324.793	1.627	50	20	DDGD	
CCc1cccc(S(=O)(=O)NNC(=O)c2ccccc2O)c1	176399438	HKGYVCKGEDYWNC-UHFFFAOYSA-N	320.370	1.578	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)Oc2ccc(F)c(F)c2)ncn1	172278764	VFWGKBRHHGGQBX-VIFPVBQESA-N	308.288	1.974	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNC(=O)c1ccc2ccccc2n1	178414500	IORGUVFYKDZMFN-INIZCTEOSA-N	301.346	1.547	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc(O)c([N+](=O)[O-])c1	119314670	OMGVEBRQZCMTFU-UHFFFAOYSA-N	318.245	1.966	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)C12CC3CC(CC(C3)C1)C2	171660913	INEDHWZRDJABRW-UHFFFAOYSA-N	302.378	1.316	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2ccc(N(C)C)cc2)n1	31731163	NGXKFJYEBDVKMV-UHFFFAOYSA-N	316.365	1.378	50	20	DDGD	
COCCN(C)CCCNC(=O)NNc1ccccc1Cl	79490310	VSGADRDCNBBAQY-UHFFFAOYSA-N	314.817	1.934	50	20	DDGD	
COc1ccc(O)c(C(=O)NNc2nnc(C3CC3)s2)c1	184489879	RYNQQNCHVSQFKL-UHFFFAOYSA-N	306.347	1.887	50	20	DDGD	
CN(NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)C(N)=O	181090377	MBJWMUCNLFDVNV-UHFFFAOYSA-N	323.740	1.364	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCN1CCCCC1	74219896	NPLCKODVRPFLHW-UHFFFAOYSA-N	312.845	1.954	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1ccc(F)cn1	184273360	QKIJLGKRYIRJHU-UHFFFAOYSA-N	303.293	1.320	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C[C@@H]1CCCCO1	120219687	ZHWVVVKXOGDUFH-AWEZNQCLSA-N	320.389	1.734	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)c1cncc(F)c1	128831556	PKGVODJQPHUYBG-UHFFFAOYSA-N	312.304	1.637	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccn(CCC(C)C)n2)[nH]n1	183220448	GJXMVMLPWVAUOO-UHFFFAOYSA-N	319.369	1.427	50	20	DDGD	
COCCC(C)(C)CNC(=O)NNc1nc2ccccn2n1	189964835	HETZHQOXHWBCTD-UHFFFAOYSA-N	306.370	1.418	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)COc1ccc(F)cc1	78399998	YXFIUWWUUQHOEF-UHFFFAOYSA-N	317.320	1.464	50	20	DDGD	
COC(=O)c1ccc(/C=C(\C#N)S(=O)(=O)NC2CC2)cc1	188032336	JEFAASNYEVJFPO-MDWZMJQESA-N	306.343	1.419	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1cccc2c1OCO2	132462452	HRSKIZGRENQZAT-UHFFFAOYSA-N	312.325	1.809	50	20	DDGD	
CC(C)CN1CCC[C@H](CNC(=O)NNC(=O)c2ccc[nH]2)C1	130667343	YXYXEJPBAZBBFJ-CYBMUJFWSA-N	321.425	1.327	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)C2=Cc3ccccc3OC2)n1	133951128	ZKJVOPJLIPYZHM-UHFFFAOYSA-N	317.736	1.631	50	20	DDGD	
CCN(CC(=O)NNC(=O)COc1cccc(C)c1)C1CC1	135909592	GZMFPICSLKHLQL-UHFFFAOYSA-N	305.378	1.006	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)Nc1ccccn1	48348296	FCGGIHPZMXISHY-UHFFFAOYSA-N	316.317	1.322	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(Cl)cc2)o1	84461427	IJBGQTPGCNKBQL-UHFFFAOYSA-N	314.750	1.865	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C/c2nccn2CC(F)(F)F)n1	134494831	XVSQLSXBFJLRDY-RMKNXTFCSA-N	324.266	1.725	50	20	DDGD	
Cc1ccc(CCCCC(=O)NNC(=O)N2CCOCC2)cc1	194906197	XGTQZGOWMAMSEA-UHFFFAOYSA-N	319.405	1.781	50	20	DDGD	
O=C(CCCn1cncn1)NNc1ccc(C(F)(F)F)cn1	131860266	RELFLYKUMLIUDZ-UHFFFAOYSA-N	314.271	1.615	50	20	DDGD	
N#C/C(=C/c1cc(Br)c2c(c1)OCCO2)C(N)=O	48638521	MCPXRVJDRDIKDK-BAQGIRSFSA-N	309.119	1.613	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cc(F)cc(Br)c1	190066605	BFUYAVZGRBZYBX-UHFFFAOYSA-N	319.130	1.120	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)Cn1cccn1	193168212	OKSGZZGKMXQUKG-UHFFFAOYSA-N	308.725	1.006	50	20	DDGD	
CCc1[nH]c(C(=O)NNC(=O)c2ccc[nH]2)c(C)c1C(=O)OC	96972683	OMPCJAZCEVXWTL-UHFFFAOYSA-N	318.333	1.075	50	20	DDGD	
CC(C)NC(=O)Nc1ccccc1C(=O)NNC(=O)NC1CC1	143297824	HALPIWODBISZHK-UHFFFAOYSA-N	319.365	1.323	50	20	DDGD	
CCN(CC)CC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	143246353	BIMYJRSQFSCJMI-CQSZACIVSA-N	321.421	1.560	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@H]2CC2(Cl)Cl)c1	97657508	WQMOQACCPFKFDK-SNVBAGLBSA-N	316.188	1.707	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)CNc1ccccc1OC	269542026	CGZHXRFQVZCUPZ-GFCCVEGCSA-N	311.407	1.396	50	20	DDGD	
CC(C)[C@@H](C)CC(=O)NNC(=O)Cn1cnc2ccccc21	263940435	VGGGSVUFZRCYJX-LBPRGKRZSA-N	302.378	1.866	50	20	DDGD	
O=C(NNC(=O)c1ccc2ccccc2n1)N[C@@H]1CCSC1	266544722	KSHGSYQQZFOMLX-LLVKDONJSA-N	316.386	1.684	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H]1CN(Cc2ccccc2)CCO1	265912749	RKJLKOMIRZFVHY-HNNXBMFYSA-N	319.405	1.081	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)c2c[nH]c(C)n2)o1	264864123	PWKCMSPNWBXLPY-UHFFFAOYSA-N	319.365	1.228	50	20	DDGD	
COC(=O)c1cc(OC(=O)[C@H]2CCCCO2)ccc1[N+](=O)[O-]	269409070	HOCOJAQYIORUHB-GFCCVEGCSA-N	309.274	1.856	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNC(=O)CCc1ccc(OC)cc1	265808568	PAIYJLPBDCIEKO-ZDUSSCGKSA-N	323.393	1.383	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCC[C@@H]2CCO[C@H](C)C2)n1	273043158	FFRTZWHBNBKDLD-VXGBXAGGSA-N	323.397	1.625	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1CCC(=O)[C@H](C)C1(C)C	275492219	FZJNJRZYZSDFAB-UWVGGRQHSA-N	306.366	1.570	50	20	DDGD	
Cc1nc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C(C)(C)C)oc1C	276983798	RQQOPODYDALTBM-QWRGUYRKSA-N	324.381	1.895	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	279600198	GGGLGMHBRNMUBN-UHFFFAOYSA-N	314.273	1.312	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cccnc1N1CCCC1	276840691	MMXUPZAKBQPGLO-UHFFFAOYSA-N	323.360	1.481	50	20	DDGD	
COC(=O)NCc1ccc(NC(=O)NNC(=O)C(C)(C)C)cc1	271335782	FUFIRSFWJFQGTG-UHFFFAOYSA-N	322.365	1.741	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)[C@@H]1CCCCS1(=O)=O	274777491	NHGOJBYTPBHJAE-LBPRGKRZSA-N	320.374	1.040	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccccc1OC[C@@H]1CCCCO1	273205754	MCTGLAXTEJZUMJ-LBPRGKRZSA-N	307.350	1.807	50	20	DDGD	
O=C(NNc1cccc(Cl)c1)[C@@H]1CCCCS1(=O)=O	273227488	ODNOCMQFCWZSPE-NSHDSACASA-N	302.783	1.750	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1occc1C(C)C	288033103	QWPUDNOCVSDWRT-UHFFFAOYSA-N	312.366	1.953	50	20	DDGD	
CC(C)NC(=O)N1CCC[C@H]1C(=O)NNc1cccc(F)n1	286713773	ZKQWIGCYWRLGNW-JTQLQIEISA-N	309.345	1.246	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H](OC)c2cnn(C)c2)cc1	281015410	NDTWDQOFRVLCRA-AWEZNQCLSA-N	316.361	1.131	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ccc(C(F)(F)F)cc2)CC1	281551551	LFINBKSUMQEVCR-UHFFFAOYSA-N	322.308	1.726	50	20	DDGD	
CC(C)CN1CCC(NC(=O)NNc2ncccc2F)CC1	286470728	BNNOIWRIQUPXLX-UHFFFAOYSA-N	309.389	1.967	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1ccc([N+](=O)[O-])cc1C	288861854	XLJOILRMGKUXSW-LLVKDONJSA-N	311.338	1.788	50	20	DDGD	
CC(C)OCCC(=O)NNC(=O)c1ccc2c(c1)OCCO2	298390421	ZAXCACKCXSFGGZ-UHFFFAOYSA-N	308.334	1.034	50	20	DDGD	
CCC[C@H]1CCC[C@H]1C(=O)NNC(=O)CNC(=O)c1ccco1	294494924	JGSQWVOQSZKSTN-NWDGAFQWSA-N	321.377	1.373	50	20	DDGD	
C[C@H](Cc1cnc2ccccc2n1)C(=O)NNC(=O)C1CCC1	293952394	ZJGGZDCXLWJDDW-LLVKDONJSA-N	312.373	1.756	50	20	DDGD	
C[C@@H]1CCC[C@@H]1NCC(=O)NNC(=O)c1cccc(Cl)c1	800392022	XLTOGDWAPCQIGD-MFKMUULPSA-N	309.797	1.879	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)COC(F)F)cc1	803183766	ZXPDLMMCMSBXAC-UHFFFAOYSA-N	318.349	1.309	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1ccnc2ccccc12	802035794	JIXUFTCIQNHARB-UHFFFAOYSA-N	307.313	1.518	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cc(F)c(F)cc1F	802024072	GORFYPOEAOZNLA-UHFFFAOYSA-N	310.235	1.387	50	20	DDGD	
O=C(C[C@H]1COC(=O)C1)NNC(=O)Nc1cc(F)cc(F)c1	802004592	RMAALPKKCVOZAZ-SSDOTTSWSA-N	313.260	1.071	50	20	DDGD	
CC(=O)Nc1ccc(F)c(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	294204481	LGCADXGQLBPBDD-SDBXPKJASA-N	323.324	1.113	50	20	DDGD	
CCOc1ccc(CC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	294187225	JZWNFLYFTSPGNR-FZMZJTMJSA-N	306.362	1.343	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc(F)cc(Cl)c2)O1	294095173	DCVRTRBDNPGJBK-CPCISQLKSA-N	300.717	1.808	50	20	DDGD	
CCCN(NC(=O)[C@@H](C)NC(=O)CC)C(=O)OC(C)(C)C	804591695	CFVJLFRPIUYSKU-SNVBAGLBSA-N	301.387	1.579	50	20	DDGD	
COCCn1nnc2c1CCN(/C(=C/C#N)c1ccccc1)C2	293323410	REWDCWWSYKRZFW-FRKPEAEDSA-N	309.373	1.847	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H](C)c2ncnn2C)cc1	298222424	HNCJBDLTUPMMOI-JTQLQIEISA-N	304.354	1.601	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc(C(N)=O)cn1	805380787	XTKSVOZGXADGJN-UHFFFAOYSA-N	315.289	1.154	50	20	DDGD	
COc1cccc(C(=O)NCC(=O)NNc2ncccc2F)c1	804212649	DTNHKJIYFRZURP-UHFFFAOYSA-N	318.308	1.102	50	20	DDGD	
CCNC(=O)CC(=O)NNC(=O)Nc1ccc(C)cc1Cl	802047383	CJAAUHXBNXQPNQ-UHFFFAOYSA-N	312.757	1.327	50	20	DDGD	
Cc1nsc(C)c1C(=O)NNC(=O)c1cccc(N(C)C)c1	292464956	PKIWFGBFCPXCHJ-UHFFFAOYSA-N	318.402	1.901	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H]1CCN(c2ccccc2F)C1	294067101	KMZFXHXLMIWEAP-YLSINNKHSA-N	303.337	1.965	50	20	DDGD	
CC/C(C)=C(\C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	801106037	MZBVONKZEVGUIF-VAWYXSNFSA-N	303.362	1.827	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1Cc2ccc(F)cc21	807371765	TUHCBWIZUYQJGR-ZDUSSCGKSA-N	324.352	1.402	50	20	DDGD	
CC(C)(C(=O)NNc1cnccn1)c1ccccc1[N+](=O)[O-]	816173812	VKTHIAJIWDJQOE-UHFFFAOYSA-N	301.306	1.806	50	20	DDGD	
Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NN(C)C1CC1	819650761	XLZDKXDJTONUSU-UHFFFAOYSA-N	304.316	1.730	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1ccc(Cl)cc1)NC1CCCC1	813426212	ADEIHXGYVVELCN-LBPRGKRZSA-N	311.769	1.646	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)Cc2cc[nH]n2)C[C@@H]1C	814954742	LJQNREJTLKZLRO-GWCFXTLKSA-N	306.366	1.424	50	20	DDGD	
CCC[C@@H]1C[C@H]1C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	813373718	FTTNWOGIRKFMAC-DGCLKSJQSA-N	303.362	1.517	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=S)NC2CCC2)c1	814190566	BXTPJSGMVROENI-UHFFFAOYSA-N	307.419	1.730	50	20	DDGD	
CCCc1[nH]ccc1C(=O)NNC(=O)C(C)(OCC)OCC	817758304	FUMGRKXITICBDS-UHFFFAOYSA-N	311.382	1.517	50	20	DDGD	
C[C@H](NC(=O)C(C)(C)C)C(=O)NNc1nc2ccccc2n1C	816579479	RNJIGMBVPZFQAO-JTQLQIEISA-N	317.393	1.567	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@H]3CCN(C)C3)cc2C1	729282239	NDSVIMTYBLMUPI-MNOVXSKESA-N	321.446	1.586	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccnc(OC2CCCCC2)c1	823939690	OKGQNHOEPKRWHB-GFCCVEGCSA-N	307.394	1.751	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)c1cccc2cccnc12	491404760	FAWMBIOGVYEMMP-UHFFFAOYSA-N	303.325	1.828	50	20	DDGD	
CCN(CCO)NC(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1	823874020	KLOLMSADGMFADY-NSHDSACASA-N	312.797	1.894	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1C[C@@H](C)C[C@H]1c1cccnc1	828868318	MDBJXRVRMNNMCH-JSGCOSHPSA-N	304.394	1.268	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)N[C@@H]2C=CCC2)nc2ccccc21	821091687	DVXSBYJCIGHLEW-LLVKDONJSA-N	313.361	1.165	50	20	DDGD	
O=C(CN1CC[C@@H]2CCCC[C@@H]21)NNC(=O)c1ccccc1	829023084	OKAVGHMUIJLOSE-ZFWWWQNUSA-N	301.390	1.712	50	20	DDGD	
CCCCC[C@@H](O)C(=O)NNC(=O)NCCc1cccs1	822785974	JPGAFSXJJAEDIS-GFCCVEGCSA-N	313.423	1.562	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@@H]2C[C@H]2C2CCC2)n1	823769414	BQDFEDDZMZWNSI-RYUDHWBXSA-N	305.382	1.856	50	20	DDGD	
CC(C)C(=O)NNC(=O)C1(Cc2ccccc2)CCOCC1	822203942	WMIGSCKVSIFZLC-UHFFFAOYSA-N	304.390	1.829	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1c(C)nn(CC(C)C)c1C	496139874	TZVNNMHJFHHXHS-UHFFFAOYSA-N	318.399	1.047	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=O)CNc2ccccc2)s1	729513667	GICPQXPJJIBBNV-UHFFFAOYSA-N	318.402	1.887	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCC[C@H](OC(F)F)C2)c(F)c1	585044506	LOWAMMDCNYZQCG-RYUDHWBXSA-N	317.116	1.146	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCN2C(=O)CC[C@H]2C1	491104037	MSGKISZEBYXWFX-SSUFTNFISA-N	311.341	1.132	50	20	DDGD	
CC(C)c1nn(C)c2sc(C(=O)N3CC[C@@H](B(O)O)C3)cc12	585068151	ZISJURNWRAFGEC-SECBINFHSA-N	321.211	1.447	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@H]2CSCCS2)c1	728828492	YNHUUTVDOZGRKO-LLVKDONJSA-N	307.400	1.168	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](Cc1ccccc1)C(=O)OC	491043683	AGXXIVXAJBNRIZ-YBEMTRGBSA-N	302.330	1.331	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NNC(=O)c1nc2ccccc2s1	828829556	FWJFODDTMFHJIH-PSASIEDQSA-N	305.359	1.482	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N(C)[C@H](C)c1ccncc1	827300815	UMQWAAPDKZYBIC-NTZNESFSSA-N	306.366	1.240	50	20	DDGD	
COc1ccc2cc(C(=O)N3CC[C@@H](B(O)O)C3)c(C)nc2c1	585071963	FGTXTMJDRYRQAW-GFCCVEGCSA-N	314.150	1.241	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc2nc(C(F)F)[nH]c2c1	732063117	LWNYKUGCPRFJPU-UHFFFAOYSA-N	323.303	1.855	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)COc1cc(C)ccc1C	822195887	MCZFHDWRRPYPFI-KGLIPLIRSA-N	318.373	1.421	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCOc1ccc(F)c(Cl)c1	823971133	PHRRICMJFICGJF-SECBINFHSA-N	304.749	1.592	50	20	DDGD	
COC(=O)N1CC(NC(=O)NNc2c(C)cc(C)cc2C)C1	492589647	UAIQMJKUTBLFPF-UHFFFAOYSA-N	306.366	1.689	50	20	DDGD	
COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NN(C)[C@@H](C)CO)c1	823934603	IJOBPUIANBDTPX-JKOKRWQUSA-N	308.378	1.151	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)ccc1C(=O)NNc1cccc(C#N)c1	826249577	JOQYIDNUBQAZII-UHFFFAOYSA-N	319.328	1.804	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)CC2CC(F)(F)C2)cc1	823644294	AMRUDBZKSPRKMM-UHFFFAOYSA-N	323.299	1.520	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cc2c(cc1OC)OCO2	490873413	DJULPSWRHGHXMD-WZUFQYTHSA-N	304.302	1.093	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cnc2ccc(Cl)cn12	490637431	HHMPFBNGCLCMOH-POHAHGRESA-N	304.737	1.657	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@@H](CO)CC(F)F)cc(C#N)n1C	491008812	JCVFDBPEAHNOTQ-CTPBAPBTSA-N	322.315	1.244	50	20	DDGD	
CCOc1ncccc1C(=O)NNc1cccc(C(=O)O)c1	833665397	RKIMYZHRPAJKIA-UHFFFAOYSA-N	301.302	1.935	50	20	DDGD	
C=CC(C)(C)CNC(=O)NNC(=O)Cc1cn2ccccc2n1	836592534	KPSBQOWTZUDWKY-UHFFFAOYSA-N	315.377	1.419	50	20	DDGD	
CC1(C)C[C@H](NC(=O)c2ccc(B(O)O)cc2)c2ccccc21	584963793	CWZJURZDSVHOIL-INIZCTEOSA-N	309.174	1.519	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2CCc3sc(Cl)cc32)c1	585040829	KJGKMTCXILJIRJ-GFCCVEGCSA-N	307.611	1.858	50	20	DDGD	
Cc1nc(Cl)ccc1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	831753141	JHYXVVFHDMFDHB-DTWKUNHWSA-N	312.757	1.621	50	20	DDGD	
N#Cc1ccc([C@H](NNC(=O)CC2CCCC2)C(=O)O)cc1	739108921	YHVXHDWGLLKZIB-HNNXBMFYSA-N	301.346	1.885	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CC2(O)CCCC2)ccc1F	837037046	KQTSYIBSHRAEFY-UHFFFAOYSA-N	310.325	1.751	50	20	DDGD	
CC(C)N1CCN(CCCC(=O)NNc2ccccc2)CC1	901163428	SPTMDZKPSSIVNR-UHFFFAOYSA-N	304.438	1.936	50	20	DDGD	
C[C@@H]1CCCN(CCCCNC(=O)NNC(=O)C2CCC2)C1	732240574	GAHZENFYCWKNQV-CYBMUJFWSA-N	310.442	1.629	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc2c1CCCC2	837835555	VVNVMIVHGLQGMZ-LLVKDONJSA-N	318.373	1.668	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(C(C)C)cc1O	731853252	VWDXJWHFMAYVBG-UHFFFAOYSA-N	302.334	1.622	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C[C@H]2CCCC(=O)N2)ccc1F	837037396	IPINJQBCBDFKJW-SECBINFHSA-N	323.324	1.114	50	20	DDGD	
Cc1nc(N2CC[C@@H](B(O)O)C2)c2c3c(sc2n1)CCC3	585074100	STNUVHOZOYUITR-SECBINFHSA-N	303.196	1.542	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H]2CCc3ccccc3O2)n1	839515828	AXKNBQDDUVHUKZ-LBPRGKRZSA-N	300.318	1.322	50	20	DDGD	
O=C(N1CC[C@H](B(O)O)C1)C1(Cc2cccc(F)c2)CCC1	585063531	BKFICBQBOXBQSN-ZDUSSCGKSA-N	305.158	1.614	50	20	DDGD	
CCCN(CCC)C(=O)CCCC(=O)NNC(=O)N(C)C	732755665	XSBKWLSQLVPOBN-UHFFFAOYSA-N	300.403	1.108	50	20	DDGD	
O=S(=O)(CCl)NC[C@]1(CO)C[C@H]1c1ccc(F)cc1	831269369	GOSCRRRAZUHIQB-RYUDHWBXSA-N	307.774	1.407	50	20	DDGD	
CN(CCCNCc1ccccc1B(O)O)C1CCCCC1	585014253	LTQKQXJRAXZFIN-UHFFFAOYSA-N	304.243	1.111	50	20	DDGD	
COC(=O)COc1cccc(C(=O)NNc2ccccc2)c1	732265484	FAGFEPDMHQWUKW-UHFFFAOYSA-N	300.314	1.995	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(O)nn1	917214278	JOPKSEDJSHVZMY-UHFFFAOYSA-N	309.669	1.501	50	20	DDGD	
C=CCONC(=O)NNC(=O)[C@@H](C)Oc1ccc(OCC)cc1	838701634	DQNQLJVUVQZWOX-LLVKDONJSA-N	323.349	1.301	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC[C@@H]2CC[C@H](C)O2)cc1	838741686	OCGMMICFDMKRGI-JSGCOSHPSA-N	321.377	1.272	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1c(C)[nH]c2ccccc12	748259849	YHXRONJACLAWJC-GFCCVEGCSA-N	303.362	1.978	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)C1CCCC1)Cc1ccccc1	836425484	BEINYTDSRDUQFW-OAHLLOKOSA-N	319.405	1.765	50	20	DDGD	
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NNc1nc2ccccc2[nH]1	913507371	NMYKSYNHDVVNON-WDEREUQCSA-N	316.361	1.985	50	20	DDGD	
O=C(CCc1nnc(-c2ccccc2)o1)NNc1ncccn1	913043971	DXDHQNUGATYCRF-UHFFFAOYSA-N	310.317	1.603	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNC(=O)c1c[nH]c2ccccc12	845099949	ZURVCQDKZSQWMN-UHFFFAOYSA-N	316.361	1.091	50	20	DDGD	
CC[C@H](N)CNC(=O)NNc1cccc(Br)n1	842008167	RYWHOVKPDBASCB-ZETCQYMHSA-N	302.176	1.208	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1c(Cl)cccc1Cl	847582813	RALXNHOVTWDFOD-RNFRBKRXSA-N	302.161	1.948	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2c[nH]cc2C)cc1	919836196	CSFCYLUDJJEUFK-UHFFFAOYSA-N	301.346	1.726	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cnccc2C)c1O	743317771	YBKOYJBTHXCWTD-UHFFFAOYSA-N	301.302	1.179	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)ccc1Cl	843663465	XUBUUZNXAIIESC-WCBMZHEXSA-N	312.753	1.535	50	20	DDGD	
CC(=O)c1cccc(O[C@H](C)C(=O)NNC(=O)c2ccc[nH]2)c1	745107464	DDMLBIGFSNTJGY-LLVKDONJSA-N	315.329	1.446	50	20	DDGD	
CC(C)n1c(O)nc2ccc(C(=O)NN(C)C[C@@H](C)O)cc21	910140518	IXGVIDGNHAIEED-SNVBAGLBSA-N	306.366	1.280	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)c1ncccn1)c1ccccc1	841594448	UXJBYLXDLUKDNK-LBPRGKRZSA-N	313.361	1.614	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@H](C(=O)OC)[C@@H]1CCC[C@@H](OC)C1	844267337	BSLVPRMHBMCBHK-HWBIDXAFSA-N	324.377	1.293	50	20	DDGD	
COCCNCCNC(=O)NNc1cc(Cl)ccc1Cl	841967710	GFGGXVMVNVPUID-UHFFFAOYSA-N	321.208	1.856	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1cc2ccccc2o1	843648248	PNXRDTQQMPODHP-GWCFXTLKSA-N	302.330	1.548	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2nc(C3CC3)no2)n1	918233179	IOXGBUBPOJFUOS-UHFFFAOYSA-N	303.326	1.180	50	20	DDGD	
CCCC[C@H](CN)NC(=O)NNC(=O)C(C)(C)c1ccccc1	841959235	OLRZNKHKGXKAMU-CQSZACIVSA-N	320.437	1.812	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CC(C)(C)Oc2cc(F)ccc21	748781100	SEVLNSDYSZEZOE-UHFFFAOYSA-N	321.352	1.732	50	20	DDGD	
O=C(NN=Cc1cnc(N2CCCC2)nc1)c1ccc(O)cc1	914772410	UQGKMBZIKJNAQS-UHFFFAOYSA-N	311.345	1.546	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1)N[C@@H]1CCCNCC1	841979112	QBXAGQMSPRLJCS-GFCCVEGCSA-N	310.785	1.426	50	20	DDGD	
O=C(CCCn1cccn1)NNC(=O)CCc1ccccc1	749800832	RRFCVJORFCVYAV-UHFFFAOYSA-N	300.362	1.444	50	20	DDGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)N[C@H]1[C@@H]2CNC[C@@H]21	841999704	HSNKBEDPQFXTCV-MTBHXBHISA-N	319.167	1.976	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NC[C@H]2CNCCO2)cc1	842012217	VPIJRXVJWGETOM-CQSZACIVSA-N	306.410	1.599	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1C[C@H]1C1CCC1	845220454	JGZXFFXHGVBJMJ-KGYLQXTDSA-N	310.394	1.548	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CCCCC2	845919544	LHMNPFUNDBVYIN-UHFFFAOYSA-N	317.389	1.697	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C[C@@H]2CCC(=O)[C@@H]2C)cc1	846375757	JKLPZJVHTAFSEM-YPMHNXCESA-N	318.373	1.851	50	20	DDGD	
Cc1cc(C)c(NC(=O)NN(C)C(=O)N2CCNCC2)c(C)n1	841245638	OUVZLOFDFAOWDB-UHFFFAOYSA-N	320.397	1.000	50	20	DDGD	
O=C(COC(=O)c1ccc[nH]1)NNC(=O)c1cccc(Cl)c1	749956444	VAUFOKBZJIJIIV-UHFFFAOYSA-N	321.720	1.286	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)N[C@H](C)CCCN)c1	841999289	GHARJLPYWOBIRA-CYBMUJFWSA-N	322.409	1.140	50	20	DDGD	
CCn1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)n1	843754347	RLYCAGMZSDMYEH-SNVBAGLBSA-N	320.324	1.271	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(Cl)c(Cl)cc1OC	749356864	KKOGKOSKQXGHDT-UHFFFAOYSA-N	306.149	1.966	50	20	DDGD	
Cc1c(NNC(=O)c2cc([N+](=O)[O-])cn2C)cccc1[N+](=O)[O-]	748670479	INZHRDBGYPETSI-UHFFFAOYSA-N	319.277	1.907	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)c(C)c1)c1nccn1C	755600857	KYQZUZNIJPWTOF-UHFFFAOYSA-N	313.361	1.516	50	20	DDGD	
CCNC(=O)NN=C(C)[C@@H](c1ccccc1)N1CCOCC1	920825144	NBMSMEAHSMBGHZ-HNNXBMFYSA-N	304.394	1.755	50	20	DDGD	
Cc1ccc(CO[C@H](C)C(=O)NNC(=O)NCC2CC2)cc1	858782265	RKFKZPXGTZHLBX-GFCCVEGCSA-N	305.378	1.641	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H]1CCN(C2CCCCC2)C1	852588495	FXBHTEYBBFOAQW-CYBMUJFWSA-N	310.442	1.770	50	20	DDGD	
CNC(=O)NN=Cc1cc(OC)c(O)cc1Br	921259489	AHMNJLGICJACGC-UHFFFAOYSA-N	302.128	1.426	50	20	DDGD	
CC[C@H](C)n1nc(C(=O)NNC(=O)c2cccc(F)n2)cc1C	856423300	QTPYDWUKMXQLEO-VIFPVBQESA-N	319.340	1.771	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H]2CCCS2(=O)=O)cc1F	853869607	ZIZLCEYVIQUOJB-LLVKDONJSA-N	315.370	1.337	50	20	DDGD	
COc1ccc2c(c1)C=C(C(=O)NNC(=O)NCC1CC1)CO2	755236898	DPBDYCINAJXXMB-UHFFFAOYSA-N	317.345	1.211	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)CN1C	853371790	IHMXNIDMBFWNMO-MRVWCRGKSA-N	319.409	1.084	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2nnc(C)s2)c1	854191725	SUPIDTPRCVNUEG-UHFFFAOYSA-N	320.374	1.303	50	20	DDGD	
O=C(NN=Cc1cnc2ccccc2n1)C(=O)Nc1ccccn1	758380007	JTCSKXUJNHVEIZ-UHFFFAOYSA-N	320.312	1.114	50	20	DDGD	
Cc1nn(C(C)C)cc1C(=O)NNC(=S)NCC1CCC1	855092479	GRADJTBXVXGOCY-UHFFFAOYSA-N	309.439	1.681	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)[C@@H]1CC(=O)N(C2CCCC2)C1	857355791	NJMAZKZJIYYSFT-SECBINFHSA-N	323.784	1.364	50	20	DDGD	
COc1cc(CC(=O)NNC(=O)OCC(F)(F)F)ccc1C	856025438	UMMKEXQTEUEBQB-UHFFFAOYSA-N	320.267	1.866	50	20	DDGD	
CCn1nccc1[C@@H]1OCCC[C@H]1C=NNC(=O)[C@@H]1CCOC1	853338108	CENNZZAISONTLC-GZBFAFLISA-N	320.393	1.509	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(C)n(-c2cc(C)on2)c1C	854926757	KKFFVIJCGZSOBT-UHFFFAOYSA-N	321.406	1.471	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@H](O)c2ccco2)C[C@H]1Br	856950761	IGTPGSJFGYHBDG-MKPLZMMCSA-N	317.183	1.786	50	20	DDGD	
C[C@H]1CCCC[C@@H]1NC(=S)NNC(=O)c1cccc(F)n1	853051180	BBVKCKWPGKWYJF-UWVGGRQHSA-N	310.398	1.908	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C[C@@H]2CCCCO2)c1	755046303	NROGXHSIIKBFQS-LBPRGKRZSA-N	322.361	1.424	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1ccc(F)c(F)c1	750938725	MKQWEXMXNBEJCN-UHFFFAOYSA-N	321.283	1.828	50	20	DDGD	
N#CC[C@@H]1CCCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1	852319602	QAVGIMVOLMGGGM-LBPRGKRZSA-N	318.352	1.212	50	20	DDGD	
COC(=O)c1coc(C=NNC(=O)Cc2csc(C)n2)c1	758082609	DQPCNVPLXZQQAW-UHFFFAOYSA-N	307.331	1.524	50	20	DDGD	
O=C(C[C@H]1CCCO1)NNC(=S)NCCc1cccs1	753076929	HQIWSZLYHYPCCP-SNVBAGLBSA-N	313.448	1.355	50	20	DDGD	
COC[C@H](NC(=O)NNc1ccc(C)c(F)c1)[C@H]1CCCO1	854028189	JKYFCELZRLOZLP-UONOGXRCSA-N	311.357	1.954	50	20	DDGD	
CCc1nocc1C(=O)NNC(=O)COc1cc(C)ccc1C	854191336	DISBJKYZUSFOJF-UHFFFAOYSA-N	317.345	1.694	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cc(OC)ns2)n1	857153023	NPCMAAGPZRACEC-UHFFFAOYSA-N	322.394	1.545	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C1CCC1)c1ccc([N+](=O)[O-])cc1F	755309503	JULNWWPDFDNHOH-MRVPVSSYSA-N	309.297	1.785	50	20	DDGD	
CC(C)n1ccnc1C=NNC(=O)Cc1cn2ccccc2n1	853312952	AOGFOHPKLBJLCS-UHFFFAOYSA-N	310.361	1.805	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccn2cc(C(F)(F)F)nc2c1	854410072	RRMIIWLJFDLHKS-UHFFFAOYSA-N	316.239	1.696	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N(C)CC1=CCCOC1	851916211	AJYWSBGPCOFZNG-UHFFFAOYSA-N	303.362	1.628	50	20	DDGD	
CC(C)CO[C@@H]1CCN(C(=O)NNC(=O)c2cccc(F)n2)C1	852709492	WPYMEKKAMSFDPV-LLVKDONJSA-N	324.356	1.322	50	20	DDGD	
CN(C)[C@H](CC(=O)NNC(=O)CC(F)(F)F)c1ccccc1	855001161	WVDNEVVGXKVKMW-LLVKDONJSA-N	317.311	1.779	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H](C[C@@H]1CCCO1)C(F)(F)F	854928126	XOUDCFWBMJXRGE-JGVFFNPUSA-N	313.345	1.201	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1c(C)n(C)c2ccccc12	853331567	XSQHETQKYXEQNW-UHFFFAOYSA-N	302.334	1.293	50	20	DDGD	
CC(C)Cn1nccc1C(=O)NNC(=O)c1cccc(F)n1	856428200	QUQMEWTVCRNZMA-UHFFFAOYSA-N	305.313	1.148	50	20	DDGD	
C[C@@H]1CC[C@@H](CC(=O)OCC(=O)NNC(=O)c2cccs2)C1	759415414	AZKIJAZLKIANDN-GHMZBOCLSA-N	324.402	1.879	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)c2cccc(C#N)c2)C(C)(C)C1	756549715	ILJADGAJKZPRKF-LBPRGKRZSA-N	314.389	1.440	50	20	DDGD	
O=C(/C=C/CCc1ccccc1)NNC(=O)N1CCOCC1	865046270	HSWAGAIJVFTIDY-WEVVVXLNSA-N	303.362	1.248	50	20	DDGD	
C[C@H](NNC(=O)CCNc1ccccc1[N+](=O)[O-])C(F)(F)F	862307380	WAMIYXFZWODBKL-QMMMGPOBSA-N	320.271	1.968	50	20	DDGD	
CC(C)[C@H](CNCc1ccc(B(O)O)cc1)C(=O)OC(C)(C)C	863889567	DJYMKVDNUMJNDM-HNNXBMFYSA-N	321.226	1.070	50	20	DDGD	
CCC(CC)(CC)C(=O)NNc1nccc(N2CCOCC2)n1	762854499	BFADLJALONKHDJ-UHFFFAOYSA-N	321.425	1.973	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1cnc2[nH]cnc2c1	764127167	RBJQVWUTKHZSOC-UHFFFAOYSA-N	322.288	1.160	50	20	DDGD	
C[C@@H](c1ccccc1)[C@@H]1CCCN1CC(=O)NNC(=O)C1CC1	932277631	WGUSESHMIXOJEB-BBRMVZONSA-N	315.417	1.812	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccnc1)c1ccsc1	763191986	DSUHZMKUNLAXFJ-UHFFFAOYSA-N	302.359	1.413	50	20	DDGD	
O=C(NN=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cnccn1	766008896	AKRGJQLJGHSMMK-UHFFFAOYSA-N	316.233	1.057	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)Cn1ccc2ccccc21	865181438	AYBMGBQENKLMTC-UHFFFAOYSA-N	303.362	1.604	50	20	DDGD	
C[C@H](CC(F)(F)F)NC(=O)NNC(=O)Cc1ccncc1	766657057	JKFWASPSWJKFSS-MRVPVSSYSA-N	304.272	1.295	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)c2cnco2)cc1	760133080	QTSNWAZYOKANOK-UHFFFAOYSA-N	306.347	1.705	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)C2CCCC2)ccc1C#N	766548213	PJRAMPMOPOTQKH-UHFFFAOYSA-N	307.375	1.366	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F)C(C)C	769740805	IEPGKHSKEPGCGN-MFKMUULPSA-N	312.341	1.411	50	20	DDGD	
O=C(NNc1ncccc1C(F)(F)F)[C@@H]1C[C@]12CCOC2	764464407	ZEHSMYNTYHXJKW-CABZTGNLSA-N	301.268	1.970	50	20	DDGD	
C[C@H](Oc1ccc(C=O)cc1)C(=O)NN[C@@H](C)C(F)(F)F	862319530	GQIMDLFLWKMUOP-IUCAKERBSA-N	304.268	1.838	50	20	DDGD	
CNc1ccc(C(=O)NNc2nccnc2OC)cc1[N+](=O)[O-]	764471231	QATBUPZMCSXACU-UHFFFAOYSA-N	318.293	1.192	50	20	DDGD	
CC(C)(CC(=O)NNC(=O)c1cc[nH]n1)c1ccc(F)cc1	869239753	QXDUVYUUHIGJCY-UHFFFAOYSA-N	304.325	1.678	50	20	DDGD	
COc1cccnc1NC(=O)NNCC(F)(F)C(F)(F)F	860912625	UZAHYBOJEDUZPS-UHFFFAOYSA-N	314.214	1.914	50	20	DDGD	
Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CC=C(C#N)CC1	767177762	NCQCTESOWZAJMH-UHFFFAOYSA-N	323.374	1.134	50	20	DDGD	
COc1cc(F)cc(NNC(=O)/C=C/CN2CCOCC2)c1	866879996	HJZYECYOPBRERP-NSCUHMNNSA-N	309.341	1.166	50	20	DDGD	
Cc1ccc2occ(CC(=O)NNC(=O)[C@@H]3CCO[C@H]3C)c2c1	862095793	OYGQDUZMNSOHCJ-WCQYABFASA-N	316.357	1.856	50	20	DDGD	
C[C@@H](c1ccccc1F)[C@H](O)C(=O)NNC(=O)NCC1CC1	865016057	UPHVVWQYDYDSMC-ZANVPECISA-N	309.341	1.031	50	20	DDGD	
CC(C)(F)C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1	768636493	CCNMMRWYMALFRG-UHFFFAOYSA-N	316.716	1.392	50	20	DDGD	
COC(=O)N(C)NC(=O)NCC1(c2ccccc2OC)CC1	875193610	ZEJGCZAWJBGWLB-UHFFFAOYSA-N	307.350	1.639	50	20	DDGD	
CC#CCCNC(=O)NNC(=O)CCc1ccc(OC)cc1	776204496	FUEIFJWJVNNGFN-UHFFFAOYSA-N	303.362	1.372	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc(Br)n1	879204008	YUGKDACSUDIHRC-UHFFFAOYSA-N	303.160	1.459	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2cnc(N(C)C)cn2)c1	779675686	ZCOWOKPIXSOWED-UHFFFAOYSA-N	305.313	1.447	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)c2ccc(C#N)cc2)c1C1CC1	878538404	QIUQAWMRGJDABS-UHFFFAOYSA-N	323.356	1.727	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C	875496219	FKCKEDQVKPQDGR-TZMCWYRMSA-N	320.393	1.419	50	20	DDGD	
C[C@@H]1CN(C(=O)C(=O)NC[C@]2(C)C[C@H]2Br)C[C@H]1C	1118764836	OXDGSPPSVHGTBF-PRFIWBCESA-N	317.227	1.391	50	20	DDGD	
CCCn1c(C=NNC(=O)COCCOC)nc2ccccc21	872402798	KIJVAEHABZBRIS-UHFFFAOYSA-N	318.377	1.559	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@@H]1CCO[C@@H](C)C1	770754455	RYMIHEUPKMNAPJ-QWHCGFSZSA-N	305.378	1.754	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CN2CCC=C(Cl)C2)c1	878792404	QVOMFVZAXUFHBC-UHFFFAOYSA-N	318.764	1.148	50	20	DDGD	
C[C@@H]1C(=O)N(C)CCN1C(=O)[C@@H](Br)C(C)(C)C	779275745	HCDLHTSVEIAIDU-RKDXNWHRSA-N	305.216	1.485	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1	874249572	WPHRPCXTQHOFKM-VIFPVBQESA-N	305.256	1.041	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@@H]2CNC(=O)C[C@@H]2C(F)(F)F)c1	879122382	MHXUXRSPOBRLGG-BDAKNGLRSA-N	316.283	1.148	50	20	DDGD	
Cc1nonc1C(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	772967894	PSSUSPBHENFGKP-QMMMGPOBSA-N	324.724	1.260	50	20	DDGD	
Cn1ccc(NNC(=O)C2(NC(=O)OC(C)(C)C)CCC2)n1	1117985211	GBOYCZGEBZZJOF-UHFFFAOYSA-N	309.370	1.311	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2CCCCN(C)C2=O)cc1	873798912	QFWUCKBOZCOHJS-AWEZNQCLSA-N	317.389	1.269	50	20	DDGD	
CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)NNC(=O)C(C)C	770827486	FLYXZAKWNZFPCV-GWCFXTLKSA-N	311.357	1.888	50	20	DDGD	
CCN(CC(C)C)C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1118819740	LAPMWMRBIAYLPZ-GWCFXTLKSA-N	319.243	1.781	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NC1(C(F)(F)F)CCC1	879380889	AFKAEEUHLUTZLB-SFYZADRCSA-N	309.288	1.227	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CCc2cnn[nH]2)c1	873757270	ZOOJESKLMFKKNU-UHFFFAOYSA-N	318.406	1.372	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@@H]1CC(c2ccccc2)=NO1	772435907	MBSWTZJPEDTEHD-JTQLQIEISA-N	315.251	1.279	50	20	DDGD	
Cc1ccncc1[C@H](C)NC(=O)NNC(=O)Cc1ccncc1	771439933	MVADKEWDNFEGQQ-LBPRGKRZSA-N	313.361	1.419	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1CC(=O)NNc1nc(O)c2cnn(C)c2n1	770980199	NSFXPXLAEFKGKV-NXEZZACHSA-N	318.381	1.728	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1Cl)C1(O)CCOCC1	773455255	LZDQFDLVJJAHAQ-UHFFFAOYSA-N	305.161	1.978	50	20	DDGD	
CC(C)[C@H]1C[C@@H](NC(=O)NNc2ccc(C#N)cn2)CCO1	888745740	AQXXPFNARDYLKY-QWHCGFSZSA-N	303.366	1.783	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(NC(=O)NC)cc1	887154736	XQAAAJVRKFSJMX-UHFFFAOYSA-N	302.334	1.002	50	20	DDGD	
Cc1[nH]c2ccc(F)cc2c1C=NNC(=O)C(=O)N1CCCC1	782224557	NPGTWDWTDMAMOY-UHFFFAOYSA-N	316.336	1.688	50	20	DDGD	
C[C@H](CNC(=O)NNc1ccc(C#N)cn1)CN1CCCCC1	887862143	GSTIQEGRMBWKGN-CYBMUJFWSA-N	316.409	1.701	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1cccc(OCCC)c1	887145841	UKGXXFRGIGNXEH-UHFFFAOYSA-N	302.374	1.969	50	20	DDGD	
C[C@@H]1CN(c2ccncc2)CCN1S(=O)(=O)CCCCl	885848475	VLLMUCYQXRSCEX-GFCCVEGCSA-N	317.842	1.551	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1ccc(-n2cncn2)c(F)c1	786042733	GKERVIIALWSMMR-WZUFQYTHSA-N	306.322	1.706	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(O)nc2cc(F)ccc12	780706734	QYAXGEHXXLKFHV-UHFFFAOYSA-N	306.297	1.386	50	20	DDGD	
Cc1coc(C)c1C(=O)NNC(=O)COc1ccc(C#N)cc1	785685094	VXNSGNALMNRKPJ-UHFFFAOYSA-N	313.313	1.608	50	20	DDGD	
CCC(=O)N1CCC[C@H](C(=O)NNc2ncncc2Cl)C1	781820566	UMXYPPRYNIRYSE-VIFPVBQESA-N	311.773	1.222	50	20	DDGD	
C[C@H](CNC(=O)NNc1ncncc1Cl)N1CCCCC1	781000682	LBTVPWJPVRHIJN-SNVBAGLBSA-N	312.805	1.631	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)O[C@H](C)c2nnnn2C)cc1	787573703	AILJNROHGASYFE-BKLZJWBFSA-N	313.317	1.430	50	20	DDGD	
CCC[C@H](CCCS(C)(=O)=O)C(=O)NNc1cccnn1	790020286	PVCURIQNCZYNQQ-LLVKDONJSA-N	314.411	1.161	50	20	DDGD	
N#Cc1cccc(NNC(=O)C(=O)Nc2cccc3c2CCO3)c1	797022006	ZCSOWWFSWXCEBU-UHFFFAOYSA-N	322.324	1.575	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccn1Cc1ccncc1	798304953	FUXCYJWFBZKLDJ-UHFFFAOYSA-N	315.402	1.226	50	20	DDGD	
C[S@@](=O)c1ccc(CC(=O)NN=c2cc[nH]cc2Cl)cc1	797987672	KSCCOCXOGIUFIP-OAQYLSRUSA-N	323.805	1.580	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(-c2cccc(C#N)c2)no1	790016289	YCNYRXQTDPXLOE-UHFFFAOYSA-N	313.317	1.519	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNC(=O)c1cc(C)nc2ccccc12	799010656	MXVVFOBMULNBCU-KRWDZBQOSA-N	315.373	1.855	50	20	DDGD	
Cc1ccc([C@H](O)[C@H](C)NS(=O)(=O)CBr)cc1	796105843	ROWBJMDNKZZTDS-GXSJLCMTSA-N	322.224	1.689	50	20	DDGD	
COc1cccc(C=NNC(=O)[C@H](C)CN2CCCCC2)n1	790149983	RXFKNEUOJRTUNM-CYBMUJFWSA-N	304.394	1.662	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2nncc(N)c2Cl)cc(O)n1	1320059392	OHKLMLRFLNSDEX-UHFFFAOYSA-N	322.756	1.693	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2c(C)cccc2F)n1	1324086392	XBSQMNBXWGVKNC-UHFFFAOYSA-N	302.309	1.646	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@@H](C)C(=O)NCC(F)(F)F	1324514751	NCVGYPMEBYWYDH-QMMMGPOBSA-N	319.287	1.083	50	20	DDGD	
CO[C@H]1CCC[C@@H]1C(=O)NNC(=O)C(C)(C)c1ccccc1	1336340742	JUAIUUMWUHWVFC-KBPBESRZSA-N	304.390	1.927	50	20	DDGD	
N#CCSc1ccccc1C(=O)NNC(=O)C1CCOCC1	1334329338	DOBCCCAANXLSEB-UHFFFAOYSA-N	319.386	1.490	50	20	DDGD	
CCCN1CCCC[C@@H]1C(=O)NNC(=S)N[C@@H](C)C1CC1	1331220384	DJOPSJJCFJFGHC-WCQYABFASA-N	312.483	1.545	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cn[nH]c2)c(C)n1CC1CC1	1335329498	KBEPRBHNHQKKAP-UHFFFAOYSA-N	301.350	1.313	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H](c1ccc(F)c(C)c1)C1CC1	1341215106	RRLZIPGSRRVCRG-GFCCVEGCSA-N	323.324	1.089	50	20	DDGD	
COc1cc(CCC(=O)NNc2ccncn2)cc(OC)c1	1347872009	RDLKZFFFUYVRHN-UHFFFAOYSA-N	302.334	1.570	50	20	DDGD	
O=C(NNC(=O)C12CC(C(=O)O)(C1)C2)Nc1ccc(Cl)cc1	1608477873	OSNHZVWWEDAKKP-UHFFFAOYSA-N	323.736	1.748	50	20	DDGD	
CCn1cc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c(C)n1	1604602390	BGCFVTZRRRBTIQ-UHFFFAOYSA-N	312.337	1.148	50	20	DDGD	
Cc1ncc(CC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)o1	1600736847	KGJDXZOSRIJIDA-UHFFFAOYSA-N	306.230	1.738	50	20	DDGD	
Cc1oc(-c2nn[nH]n2)cc1C(=O)NN(C)C(=O)OC(C)(C)C	1609467882	WQAIIDYSIBBXJB-UHFFFAOYSA-N	322.325	1.280	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2ccnc3ccnn23)c1F	1602450082	IDZNOFQQCFJGSX-UHFFFAOYSA-N	315.264	1.324	50	20	DDGD	
O=C(Cn1ccc(C(=O)O)n1)NNc1ccc(F)cc1Cl	1601384970	RXOIJZKORKZNJF-UHFFFAOYSA-N	312.688	1.517	50	20	DDGD	
O=C(COC(F)(F)F)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1601336649	BYWDEVNUVSBQFY-UHFFFAOYSA-N	309.152	1.735	50	20	DDGD	
Cc1onc(CC(=O)NNc2cccc(C(=O)O)c2)c1C#N	1600864571	QRUZTVBGZXNLNM-UHFFFAOYSA-N	300.274	1.239	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccc(C(=O)O)s2)nn1	1607810070	OQOFOVZSQVWFJU-UHFFFAOYSA-N	307.335	1.371	50	20	DDGD	
O=C(NNc1cccc(F)c1)c1cccc(F)c1-c1nn[nH]n1	1606861449	DGEIYVCWEFDHDG-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N(CC(=O)O)CC1CC1	1605576604	PJIZKOJCKKPSTL-QPEQYQDCSA-N	300.314	1.622	50	20	DDGD	
CCO[C@H](C(=O)NNc1ccccc1C(=O)O)C1CCOCC1	1605586184	AWRFNHOXZJDIBV-AWEZNQCLSA-N	322.361	1.660	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2F)o1	1602324375	KWICKBROOQWVRO-UHFFFAOYSA-N	309.209	1.782	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)cn1)Nc1cccc([N+](=O)[O-])c1	1601558558	ZPWHUFVOOCZQNQ-UHFFFAOYSA-N	317.261	1.837	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C(=O)NN=C1CC[C@H]2C[C@@H]12	1549905022	PFIAPSXSAZDZEC-CIQGVGRVSA-N	302.378	1.790	50	20	DDGD	
O=C(O)CCNC(=O)NNc1ccc(Br)c(F)c1	1611452517	DRDNWXGWBNDVMS-UHFFFAOYSA-N	320.118	1.689	50	20	DDGD	
C=C(CCC(=O)O)C(=O)NNc1cccc(F)c1C(=O)OC	1588630526	PKXRTZAGBALUBO-UHFFFAOYSA-N	310.281	1.476	50	20	DDGD	
O=C(C[C@@H]1CCNc2ccccc21)NNC(=O)NCC1CC1	1580511740	YOGGQFCYUACKON-LBPRGKRZSA-N	302.378	1.716	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(CC(=O)O)cc1)c1cnn(C)c1	1589423721	QAFASMKJCXCCNG-SNVBAGLBSA-N	302.334	1.294	50	20	DDGD	
C=CCC1(C(=O)NNc2ccc(C(=O)O)cn2)CCOCC1	1588765206	SYSHSTKBECDPCQ-UHFFFAOYSA-N	305.334	1.596	50	20	DDGD	
CC[C@H](CNC(=O)NNc1cccc(C(=O)OC)c1)C(=O)O	1589539768	XQUJRHHZTGLCRP-SECBINFHSA-N	309.322	1.210	50	20	DDGD	
CCC(CC)(C(=O)O)C(=O)NNC(=O)c1cc2c(s1)CCC2	1589475668	FVYQLDNXXJQBBT-UHFFFAOYSA-N	324.402	1.889	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1(C#N)CC1	1847866864	MVMIWQQTWKRJQC-AVGNSLFASA-N	323.824	1.899	50	20	DDGD	
CO[C@@H](C(=O)O)C(=O)NNc1c(Cl)cc(F)cc1Cl	1593912146	YDLLPOPSDSCXDZ-MRVPVSSYSA-N	311.096	1.675	50	20	DDGD	
CCCn1ncc(C(=O)NNc2ccc(C(=O)O)cn2)c1C	1596120654	AZQYUHBZTDLYMQ-UHFFFAOYSA-N	303.322	1.452	50	20	DDGD	
Cc1c[nH]nc1C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1591833734	DILMQRXGYSBOSC-UHFFFAOYSA-N	318.728	1.309	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2ccc(O)c(O)c2)cc1	1776098888	DUTONTGTCYUWCW-UHFFFAOYSA-N	300.270	1.560	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1c(F)cc(C(=O)O)cc1F	1776946021	AKSHTLXJYHCEJZ-YVMONPNESA-N	301.270	1.962	50	20	DDGD	
COc1ccccc1C(=O)/C(C#N)=C\c1c(C(=O)O)cnn1C	1777386473	MQVZQCBCXXJTIO-YFHOEESVSA-N	311.297	1.917	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=Cc1c[nH]c2ccc(C(=O)O)cc12	1776102476	QVUIBMRTSFOZGC-TZMCWYRMSA-N	315.329	1.741	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccon1)[C@H](F)Cl	1795301053	JXALZEKAZHHQNC-DKIAZLNASA-N	315.732	1.461	50	20	DDGD	
O=C(CCc1ccco1)NNC(=O)c1n[nH]c2c1CCCC2	13295692	YAOLLYWYJLCMTK-UHFFFAOYSA-N	302.334	1.275	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)[C@H]2CC=CCC2)nc2ccccc21	16179051	HLTXHNUTMFMINF-LBPRGKRZSA-N	312.373	1.620	50	20	DDGD	
COC(=O)NNC(=O)CCc1nc(C)c(-c2ccccc2)o1	158726100	DISXVIWRZNDZKD-UHFFFAOYSA-N	303.318	1.970	50	20	DDGD	
O=C(COc1ccccc1O)NNc1ccc([N+](=O)[O-])cc1	151204463	KTELHJNXAQCACQ-UHFFFAOYSA-N	303.274	1.823	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccc(-c3ccccc3)nn2)CCN1	152266929	NDFHEKLIEKZPGO-GFCCVEGCSA-N	311.345	1.113	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H](C)CN2CCCCC2)nc1	157500529	YGUCWSKAIHPYHJ-LBPRGKRZSA-N	307.398	1.591	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2[C@H]3CCO[C@@H]3C2(C)C)n1	155176874	MROFLTNWHSDQNS-WOPDTQHZSA-N	305.382	1.533	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2CCc3[nH]ncc3C2)n1	154076098	GKNUNMKBEVXRFC-NSHDSACASA-N	301.354	1.000	50	20	DDGD	
Cc1nccn1CCCCNS(=O)(=O)CCCCCl	154398052	ULOYXUFAQMBGOW-UHFFFAOYSA-N	307.847	1.910	50	20	DDGD	
O=S(=O)(CBr)N1CC[C@@H](N2CCCCC2)C1	127448646	SVRWQGYWEBWRJB-SNVBAGLBSA-N	311.245	1.229	50	20	DDGD	
CC(=O)NCCN(C)S(=O)(=O)c1ccc(CCl)cc1	308126790	BKDYFDQWLOLIIC-UHFFFAOYSA-N	304.799	1.182	50	20	DDGD	
CN(C)S(=O)(=O)CCN(CC1CCCCC1)C(=O)CCl	1887513859	AAZOSHVDMZNAMF-UHFFFAOYSA-N	324.874	1.526	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CSc1ccc(F)cc1	6447964	RCEBHBQCNDULKE-UHFFFAOYSA-N	301.412	1.822	50	20	DDGD	
CCSCc1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1	58248913	DGSGJMXCOMDSFE-ZDUSSCGKSA-N	308.403	1.880	50	20	DDGD	
CCOCCCC(=O)NNC(=O)CNc1ccc(C)cc1C	102891160	QJVUCPHGOGIXPM-UHFFFAOYSA-N	307.394	1.679	50	20	DDGD	
COC(=O)[C@H]1CCC[C@H](C(=O)NNc2nccnc2Cl)C1	175237942	FJQCFNBBBIOOBR-IUCAKERBSA-N	312.757	1.553	50	20	DDGD	
CCOc1ccccc1N1CCN(S(=O)(=O)CCl)CC1	111000721	HDMWWXYVTXFZDU-UHFFFAOYSA-N	318.826	1.733	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@H](CC)OC	65714125	CDLJHKVWNDGNSP-NSHDSACASA-N	310.350	1.037	50	20	DDGD	
CCc1ccccc1NC(=S)NNC(=O)NCCCOC	64937306	GEDRSNXVHPCAGB-UHFFFAOYSA-N	310.423	1.786	50	20	DDGD	
O=C(CCNC(=O)c1ccco1)NNc1cccc([N+](=O)[O-])c1	178856687	YPUUWYLCABKMQZ-UHFFFAOYSA-N	318.289	1.451	50	20	DDGD	
COc1ccc(CC(=O)NNC(=S)N[C@@H](C)C2CC2)cc1	171168717	UHEOHLCGVRFPMW-JTQLQIEISA-N	307.419	1.532	50	20	DDGD	
COc1c(C)cc(C(=O)NNC(=O)Cc2ccncc2)cc1C	179958376	CSBGJBHDOJODDK-UHFFFAOYSA-N	313.357	1.711	50	20	DDGD	
C[C@@H]1CCC[C@@H](NC(=O)NNC(=O)Cc2ccncc2)[C@@H]1C	176137902	JBHIIJPUPDDVOA-YRGRVCCFSA-N	304.394	1.779	50	20	DDGD	
C[C@](O)(CNC(=O)NNC(=O)c1ccccc1)c1ccco1	174778010	VCZIRYQZVLRNLR-HNNXBMFYSA-N	303.318	1.131	50	20	DDGD	
CSC[C@@H](CCO)NC(=O)c1c(C)nn(CCCl)c1C	305684810	OKHRGRMVQJPPDU-LLVKDONJSA-N	319.858	1.583	50	20	DDGD	
Cc1cc2cc(C(=O)NNC(=O)C(=O)NC3CC3)oc2cc1C	79330718	XCIQSQNDWADNAM-UHFFFAOYSA-N	315.329	1.089	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1F	180966025	WQHSSFGGRLQJBH-UHFFFAOYSA-N	315.732	1.611	50	20	DDGD	
CCCNC(=O)c1cccc(CN/C=C(/C#N)C(=O)OCC)c1	127468067	AEJOEVAUSCPNDB-QINSGFPZSA-N	315.373	1.887	50	20	DDGD	
CCC(CC)(C(=O)NNC(=O)N1CCOCC1)c1ccccc1	75196290	FJNGBZCTGPAGBJ-UHFFFAOYSA-N	319.405	1.817	50	20	DDGD	
Cc1cc(C(=O)NN(C)C(N)=O)ccc1NC(=O)CC(C)C	181065621	OCAWZRBCVKGPDH-UHFFFAOYSA-N	306.366	1.635	50	20	DDGD	
CCc1cnc(NC(=O)NNC(=O)Cn2nc(C)cc2C)s1	186240978	JNEOVPPCMITEES-UHFFFAOYSA-N	322.394	1.372	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc(OC(F)F)cc1	72785045	ZQKZASKQHJQMNC-UHFFFAOYSA-N	309.272	1.701	50	20	DDGD	
Cc1ccc(F)c(OCC(=O)NNc2ncnc3nc[nH]c23)c1	126940447	DGTOWZUDMFONHL-UHFFFAOYSA-N	316.296	1.323	50	20	DDGD	
CC(=O)NNc1nc2ccccc2c(=O)n1CCCOC(C)C	70887483	PEFKGBKDUGIICQ-UHFFFAOYSA-N	318.377	1.675	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cc(C)c(C)s2)n1	127921781	JVIJMSKTQBSEBR-UHFFFAOYSA-N	306.391	1.639	50	20	DDGD	
O=C(CO)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12	180949795	ZHNFHSHRFMOLPE-UHFFFAOYSA-N	321.336	1.655	50	20	DDGD	
Cn1cccc1C(=O)NNS(=O)(=O)c1ccc(Cl)s1	137471352	ZYUOGQCCEIADNG-UHFFFAOYSA-N	319.795	1.363	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@H]1COc2ccccc2C1	47094235	HAXSNFHQRIJHDU-CQSZACIVSA-N	311.341	1.634	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)C[C@@H]2CCCO2)c1C	46765041	BSMHVLFNCUAXAM-KGLIPLIRSA-N	320.389	1.787	50	20	DDGD	
CC(=O)NNC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1	194163480	DFTPZYVWSJORGP-OAHLLOKOSA-N	311.341	1.325	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)oc1C	130288073	XBGDXCDHIBINFU-UHFFFAOYSA-N	303.274	1.879	50	20	DDGD	
NC(=O)CSCC(=O)NNc1cccc(C(F)(F)F)c1	134863132	ROBKZSVTSXWLEJ-UHFFFAOYSA-N	307.297	1.367	50	20	DDGD	
CCc1noc2ncc(C(=O)NNC(=O)c3ccncc3)cc12	194667139	SNTMKIJILPIAMB-UHFFFAOYSA-N	311.301	1.255	50	20	DDGD	
CN(CCOCC1CC1)C(=O)NNC(=O)c1ccc(C#N)cc1	87070274	RALKSWDIADGPPJ-UHFFFAOYSA-N	316.361	1.271	50	20	DDGD	
O=C(NC[C@@H]1CCCOC1)NNC(=O)c1c[nH]c2ccccc12	193975757	ONNOVFWCBTVBJO-NSHDSACASA-N	316.361	1.539	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc[nH]2)c(C)n1-c1ccccn1	97250958	DDTKWCPDBVXIAY-UHFFFAOYSA-N	323.356	1.892	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cccn2C)c(-c2ccccc2)n1	93203443	FTYLRKNMUMQROK-UHFFFAOYSA-N	323.356	1.500	50	20	DDGD	
COc1ccc(OC)c(C(=O)NNc2nc(C)cc(OC)n2)c1	266911660	JGZFLOXWQFTZTH-UHFFFAOYSA-N	318.333	1.568	50	20	DDGD	
CCO[C@@H](C(=O)NNc1nccn(C)c1=O)c1ccccc1	267245035	SULHOILQPACSBM-GFCCVEGCSA-N	302.334	1.001	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C	265949204	HAMYGDBFCTYMBH-MCIONIFRSA-N	317.389	1.753	50	20	DDGD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NNc1c(F)cccc1F	265454875	LVZUQCXEQJJLLA-UWVGGRQHSA-N	300.305	1.992	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CCCN(C(C)=O)C2)c1	272532088	BLEBZMRDVYHLNQ-CYBMUJFWSA-N	319.361	1.175	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)C2SCCS2)c1	270501187	PPXRAWBGLWVUGB-UHFFFAOYSA-N	311.432	1.320	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cccc(Br)n1	272110117	OIOSWVQEJNQZGT-CLFYSBASSA-N	310.151	1.514	50	20	DDGD	
COc1cc(C)cc(C(=O)NNC(=O)NC2CCCCC2)c1O	271182050	CWBICIQYLPKQFI-UHFFFAOYSA-N	321.377	1.986	50	20	DDGD	
CSSCCNC(=O)NC[C@@H]1COC2(CCCC2)O1	375229985	SKTFHBQNJNHPSI-SNVBAGLBSA-N	306.453	1.983	50	20	DDGD	
CSCCNC(=S)NNC(=O)/C=C/c1cncs1	281967586	NPTRFRFTNWWFQO-NSCUHMNNSA-N	302.450	1.015	50	20	DDGD	
COc1cc(/C=C(\C#N)S(=O)(=O)NC2CC2)ccc1[N+](=O)[O-]	280041028	MEVMUTVDSGBLCY-IZZDOVSWSA-N	323.330	1.550	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNc2nccnc2C2CCC2)C1	287335345	YKBNDBJWDCXVPO-GFCCVEGCSA-N	317.393	1.446	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F	288662811	AODRCEDVDAXGFH-LURJTMIESA-N	320.227	1.490	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCC1=CCCOC1	288123040	YIMRUFYVHFNADZ-UHFFFAOYSA-N	304.350	1.677	50	20	DDGD	
C[C@@]12CCC(=O)N1[C@H](C(=O)NNc1ncccc1F)CS2	286078918	TXLUEZGUSNWILD-TVQRCGJNSA-N	310.354	1.118	50	20	DDGD	
CCc1nn(C)c(CC)c1CNC(=O)NNc1ncccc1F	286717359	MITGQSMGCJATSN-UHFFFAOYSA-N	320.372	1.905	50	20	DDGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C(=O)N1CCCC1	281710182	MRIGIQPJIJWKSH-GVIGZQTCSA-N	313.357	1.426	50	20	DDGD	
CS(=O)(=O)[C@H]1CCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C1	282117847	JJRMTWDMQZCAEU-XJHOQXEQSA-N	321.358	1.578	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	297307677	YYUBCNYPOZKDPU-UHFFFAOYSA-N	300.702	1.554	50	20	DDGD	
O=C(NCCc1ccccc1F)NNC(=O)[C@@H]1CCCCO1	296046767	AWPMKQYOQQNRCX-ZDUSSCGKSA-N	309.341	1.268	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NN(C)C(=O)OC(C)(C)C)cc1	297817424	XHWDNUBCVFETQX-UHFFFAOYSA-N	323.349	1.532	50	20	DDGD	
C=CCOc1ccc(CC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	295617084	ONVNHUZCNJYLCF-WFASDCNBSA-N	318.373	1.509	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H](O)c1cccnc1	805372620	BKWGQITWYOGEDR-ZDUSSCGKSA-N	302.290	1.475	50	20	DDGD	
CC(=O)CCc1ccc(OCC(=O)NNC(=O)NC2CC2)cc1	299373872	YVDAIZQLSSKZTM-UHFFFAOYSA-N	319.361	1.080	50	20	DDGD	
O=C(CCc1cccc(Cl)c1)NNC(=O)N=c1cc[nH]cc1	802026235	BPWNVPIWONUBOH-UHFFFAOYSA-N	318.764	1.942	50	20	DDGD	
O=C(NNC(=O)[C@@H](F)C(F)(F)F)c1cc(Cl)ccc1O	809992206	KTOJRMKWXAONQY-SSDOTTSWSA-N	314.622	1.707	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1cccc2c1COC2=O	808912127	SSBPOQKQUHKAOY-UHFFFAOYSA-N	312.285	1.219	50	20	DDGD	
C[C@@H](CBr)COC(=O)c1ccnc2c1nnn2C	801496622	CIAVEBHIWDJLPE-ZETCQYMHSA-N	313.155	1.551	50	20	DDGD	
C[C@H](NC(=O)NN[C@]1(C)CCS(=O)(=O)C1)c1ccsc1	802391693	ZRGJVXWUHSPHLO-JOYOIKCWSA-N	317.436	1.190	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@@H](F)C(F)(F)F	809982514	HJFHCSRXRTUOQX-LLVKDONJSA-N	317.242	1.758	50	20	DDGD	
CN(CCCNC(=O)NNc1ccncn1)c1ccccc1	297476316	OHNMOHYULDPBLB-UHFFFAOYSA-N	300.366	1.629	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2cccc(F)n2)c1Br	804769188	IDZKBFDATQELMC-UHFFFAOYSA-N	314.118	1.772	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1noc2c1CCCCC2	802026293	DJBQCGQFMLLIAL-UHFFFAOYSA-N	315.333	1.227	50	20	DDGD	
COc1cc(OC2CC2)ccc1C(=O)NNC(=O)CC1CC1	819109517	GJXPTOQDFYRGRO-UHFFFAOYSA-N	304.346	1.798	50	20	DDGD	
O=C(NN=C1CC(C(=O)O)C1)c1cc(Br)c[nH]1	814780111	GCTLGIZOHRMQFX-UHFFFAOYSA-N	300.112	1.358	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2csc(C(C)=O)c2)n1	815739616	FWMKNAFWWCUOIN-UHFFFAOYSA-N	306.347	1.815	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1	810585328	RHAGDGPUXIZRHT-AWEZNQCLSA-N	320.374	1.226	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2ccc(O)c(O)c2)CC[C@H]1C(=O)O	814921025	ROFVDJWVPWOAJW-LDYMZIIASA-N	306.318	1.704	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)[C@H]1CCCSC1	810518098	ZEELCHSTVQPNCJ-VIFPVBQESA-N	304.375	1.922	50	20	DDGD	
CSc1ccc(O[C@@H](C)C(=O)NNc2cnnn2C)cc1	816768842	JIPYYECXMAEWTO-VIFPVBQESA-N	307.379	1.448	50	20	DDGD	
Cc1nccc(CCC(=O)NNC(=O)Cc2ccccc2C)n1	815820163	DDBLWBOAYMUSAU-UHFFFAOYSA-N	312.373	1.416	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1snnc1C	819711536	YGJNLPLIOSLTNE-UHFFFAOYSA-N	310.310	1.529	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCc2ccc3ccccc3n2)n[nH]1	813503374	GULPHIXJBUCSFM-UHFFFAOYSA-N	323.356	1.660	50	20	DDGD	
COCCN1[C@H]2CC[C@H]1CC(=NNC(=O)N=c1cc[nH]cc1)C2	815001980	GWVUWFCPFSATSF-GJZGRUSLSA-N	317.393	1.254	50	20	DDGD	
Cc1c(NNC(=O)CCc2ncccn2)cccc1[N+](=O)[O-]	812538769	VTKQRVQSMFWYTO-UHFFFAOYSA-N	301.306	1.769	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CC[C@@H](C(=O)O)[C@@H](C)C1	814864404	CMKIWFVMBRCSTF-HOSYDEDBSA-N	300.355	1.031	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1ccc(N2CCCC2)nc1	815000411	JIJKLDMIZYAJNJ-UHFFFAOYSA-N	310.361	1.654	50	20	DDGD	
Cn1ncc(C=NNC(=O)c2cc3c(s2)CCCCC3)n1	814767892	ZGYPYKCZVCYZFT-UHFFFAOYSA-N	303.391	1.909	50	20	DDGD	
Cc1c[nH]cc1C(=O)NNC(=O)c1cccc(OC(F)F)c1	728544570	GXALULBMEBJEPX-UHFFFAOYSA-N	309.272	1.999	50	20	DDGD	
CC(C)=CCC/C(C)=C\C=NNC(=O)[C@H](C)NS(C)(=O)=O	728437333	QMRFABGJZYXFKC-DBIRWIASSA-N	315.439	1.719	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCC1=O	824866082	KFKOQXAOLDESOU-MWLCHTKSSA-N	314.349	1.315	50	20	DDGD	
COC(=O)N(C)CCNC(=O)NNc1ccc(Cl)c(F)c1	822790363	XGNXMFDQSOTXNU-UHFFFAOYSA-N	318.736	1.803	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1cc(-c2nn[nH]n2)ccc1F	821314406	KOCRFBYEFJBUEO-FLIBITNWSA-N	316.296	1.066	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)CC(N)=O)cc1	491177094	UHJHJQSPXKIXAA-NASPGAHYSA-N	301.346	1.372	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ncncc1Cl	495507765	FSQZEBTXWCJMCR-SSDOTTSWSA-N	315.761	1.486	50	20	DDGD	
Cc1nn(CC(=O)NN[C@H](C)C(F)(F)F)c2ncccc12	826942911	RPRJMELAJQUBOS-MRVPVSSYSA-N	301.272	1.311	50	20	DDGD	
CSCCNC(=S)NNC(=O)/C=C/c1cccc(O)c1	492736493	OGSXBTGZLANIIW-AATRIKPKSA-N	311.432	1.264	50	20	DDGD	
CCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)NNC(=O)CC)C12CCCC2	829635339	WAKYPEULULREBE-YNEHKIRRSA-N	311.426	1.260	50	20	DDGD	
COC(C)(C)CN(C)C(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	490725052	DCALBJWQWQYCDQ-AUWJEWJLSA-N	314.389	1.996	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)/C=C/c3ccsc3)nc21	492233323	SZYMRAARNSAWBY-NSCUHMNNSA-N	316.346	1.287	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Cn1cc(C2CC2)cn1	827010929	CBWKVENJIXPXAX-UHFFFAOYSA-N	314.345	1.230	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@@H]3CN(C)CCO3)nc12	828362239	DTWNQSDCWSLWKQ-JTQLQIEISA-N	306.391	1.378	50	20	DDGD	
O=C1[C@H](NS(=O)(=O)CCl)CCN1c1ccccc1F	820790895	ABBRZWBINPMUTD-SECBINFHSA-N	306.746	1.047	50	20	DDGD	
CC(C)CCN(C(=O)c1cc(B(O)O)ccc1F)C1CCCC1	584938334	YWESPIGIIGIDBY-UHFFFAOYSA-N	321.201	1.936	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCCO[C@H](c2ccccc2)C1	827696391	JVFVFUKNHSRLOV-HNNXBMFYSA-N	319.405	1.253	50	20	DDGD	
CN(C)C(=O)O[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H]2Br)C1	908536994	KOSQXPYWAISYLE-VDDIYKPWSA-N	319.199	1.459	50	20	DDGD	
CC(C)[C@@H]1CCC[C@H](NC(=O)c2cc(B(O)O)ccc2F)C1	584942191	JQQAIPPGHWXZKH-YPMHNXCESA-N	307.174	1.450	50	20	DDGD	
CC[C@H](O)[C@H](C)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	908050370	WBVQRBYWPSPHEB-CPCISQLKSA-N	301.293	1.525	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CCCN2C2CCCC2)nc(N)n1	828371631	MDNHSSSGUBKMCM-LBPRGKRZSA-N	304.398	1.217	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1c([N+](=O)[O-])ccc(C)c1C	493338627	RUUBZSPPCKDCGF-UHFFFAOYSA-N	317.323	1.151	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)CCOc1ccccc1	827314874	KFZMYSBTTOFZND-JSGCOSHPSA-N	321.377	1.163	50	20	DDGD	
Cn1cccc1C(=O)NN=Cc1c[nH]c2ccc(C(=O)O)cc12	739042628	KEQAKOIKGCXTCQ-UHFFFAOYSA-N	310.313	1.969	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1oc2c(F)cccc2c1C	732082438	GJOPPFLBCPARRX-UHFFFAOYSA-N	316.292	1.987	50	20	DDGD	
C[S@](=O)c1ccc(CC(=O)NNC(=O)OC(C)(C)C)cc1	496858657	XTRPDQZCZODSAV-NRFANRHFSA-N	312.391	1.522	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@]2(C)C[C@H]2Br)n1	907892029	JXNOXDFDYUACEP-SKDRFNHKSA-N	312.167	1.325	50	20	DDGD	
O=C(NN=C1CCCOCC1)c1ccc(-c2nn[nH]n2)cc1	826444487	IWJNSEWUIMHYNE-UHFFFAOYSA-N	300.322	1.153	50	20	DDGD	
CN(C)C[C@@H](NCc1ccc(B(O)O)o1)c1ccc(Cl)cc1	585042892	WHEFVSPKEMZSGN-CQSZACIVSA-N	322.601	1.005	50	20	DDGD	
CC(C)(C)c1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cc1	585060883	LJDIHYZVWRAHIP-LBPRGKRZSA-N	311.212	1.222	50	20	DDGD	
O=C(NC[C@@H]1CCCC[C@H]1C1CC1)c1ccc(B(O)O)cc1	584997718	IEANFVCTRRJCOC-HOCLYGCPSA-N	301.195	1.313	50	20	DDGD	
C[C@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)[C@@H](O)Cc1ccccc1	491088257	YZROJDQQRDOVFW-WULMZSPBSA-N	324.384	1.435	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@@](C)(CO)C2CCCCC2)cn1	491161114	NSIVZIDIIMUGPX-AAKUMTKESA-N	316.405	1.775	50	20	DDGD	
O=C(CNC(=O)N1CCCC1)NNc1ccc(Cl)c(F)c1	901169224	UGGOVFFPKOUWJB-UHFFFAOYSA-N	314.748	1.728	50	20	DDGD	
C[C@@]1(C(=O)N2CCC(c3nc[nH]n3)CC2)C[C@H]1Br	906937910	NBVKNRTUBIEVSM-BXKDBHETSA-N	313.199	1.684	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=C[C@]1(C)CCCS1	496660299	NGUILJGHMSESIH-ZDUSSCGKSA-N	301.412	1.899	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NC[C@](C)(C(=O)OC)c1ccccc1	588558540	DUUKOHSKCPJRKR-MOJYJUKOSA-N	316.357	1.677	50	20	DDGD	
C[C@H](CO[C@@H]1CCOC1)NC(=O)[C@@]1(C)C[C@@H]1Br	906946146	WFTVJJWTTWLTDN-SVDPJWKOSA-N	306.200	1.470	50	20	DDGD	
CC1(C)CN(C(=O)c2ccc(B(O)O)cc2)Cc2ccccc21	584968650	ZYXSYEPZGZAHMG-UHFFFAOYSA-N	309.174	1.300	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NC[C@@H]1CC1(C)C	732825911	AMGARMDIKQVGJG-LBPRGKRZSA-N	305.378	1.614	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@]1(C)CCCCO1	838437259	QRGXLSCFXHEYKW-IAQYHMDHSA-N	314.382	1.071	50	20	DDGD	
OB(O)c1cccc(CNC[C@H]2CCCN2Cc2ccccc2)c1	585027989	FRLQMIITWNKKKI-LJQANCHMSA-N	324.233	1.121	50	20	DDGD	
C[C@]1(C(=O)NCCO[C@@H]2CCCCO2)C[C@@H]1Br	908311110	QIZOJUGQHHNQJT-UMNHJUIQSA-N	306.200	1.819	50	20	DDGD	
COCCN(C)NC(=O)C1(NC(=O)OC(C)(C)C)CCCC1	837622841	KZKXDEYWYUKWIK-UHFFFAOYSA-N	315.414	1.433	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cnn(-c2ccc(F)cc2)n1	737502667	XNGQYJVOEUBAEN-UHFFFAOYSA-N	317.324	1.358	50	20	DDGD	
O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)c1cccc(B(O)O)c1	584980525	BTNAQLHUOZJFRT-MAUKXSAKSA-N	323.201	1.823	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNc2ccc(Cl)nn2)C12CCC2	838767450	OCMHCSADUQWXBB-IUCAKERBSA-N	311.773	1.714	50	20	DDGD	
CCC(=O)c1cccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	831571060	OLRXHQIFOYBOJN-GWCFXTLKSA-N	319.361	1.857	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCCCO2)cc2c1OCO2	834988819	NMOCRUDDRHQYRU-NSHDSACASA-N	306.318	1.443	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)CNc1ccccc1OC	834921044	RGQMKLBRRZLABD-UHFFFAOYSA-N	316.365	1.177	50	20	DDGD	
CN(C(=O)[C@H]1CCN(S(=O)(=O)CCl)C1)c1ccccc1	831358894	POEVYWGDUCBMIF-NSHDSACASA-N	316.810	1.497	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)OCCNC(=O)C1CC1	909183200	WGAMUFHBCXVIJD-SECBINFHSA-N	306.200	1.865	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCCC[C@H]1CC1CCC1	585008793	MGJUZQOXLFQXBM-AWEZNQCLSA-N	319.185	1.690	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C[C@@H]2C[C@H]3CC[C@H]2O3)cc1	836217411	JQZDXWORDFVBJP-RRFJBIMHSA-N	302.374	1.968	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(OC(F)F)cn1	836653017	DKBDBFNFXIZCBT-UHFFFAOYSA-N	303.269	1.381	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)CCc1ccccc1)C1CC1	836488284	KSBLZPKJRBMCMC-AWEZNQCLSA-N	305.378	1.375	50	20	DDGD	
Cc1ccccc1C1(C(=O)Nc2cccc(B(O)O)c2)CCC1	584914354	VPHSFCLROIOIPV-UHFFFAOYSA-N	309.174	1.735	50	20	DDGD	
CCc1cccc(OCC(=O)NNC(=O)CC(F)(F)F)c1	918364177	KMENZIICQNLHTP-UHFFFAOYSA-N	304.268	1.728	50	20	DDGD	
O=C(NN=Cc1ncc(Br)s1)[C@@H]1CCCCO1	834985902	PGTQNUASVGJNDP-ZETCQYMHSA-N	318.196	1.925	50	20	DDGD	
CCS(=O)(=O)CCNC(=O)NNc1ccc(Cl)cc1C	916530535	VKMQYVHLTLDNCC-UHFFFAOYSA-N	319.814	1.709	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)Cc1cccc(OC(F)(F)F)c1	910160206	HJOMORKGEKKWHD-SECBINFHSA-N	306.284	1.472	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)NC[C@@H]1CCCCS1	836431051	YDYPKBNSIWFSLI-NSHDSACASA-N	309.395	1.125	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@H]2CC[C@@H](C)O2)cc1	838738784	GAACQUNXXXILKP-BXUZGUMPSA-N	305.378	1.761	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2c(C)cnn2C)c1	839457023	QRFMGJCIPVSRLH-UHFFFAOYSA-N	316.361	1.185	50	20	DDGD	
CCn1ccnc1C(C)=NNC(=O)CNc1ccc(OC)cc1	834921516	WGQPVICACGENAJ-UHFFFAOYSA-N	315.377	1.864	50	20	DDGD	
O=C(COCc1ccccc1)NN[C@H](C(=O)O)c1cccnc1	833114933	YIMUBZPPNLIBQP-HNNXBMFYSA-N	315.329	1.045	50	20	DDGD	
CC(C)c1ccc(NNC(=O)[C@H](C)N2CCN(C)CC2)cc1	837054198	MROYYBLDKZPXNZ-AWEZNQCLSA-N	304.438	1.889	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@H]2CCCCO2)cccc1N(C)C	836495909	UWNXTIGZCQLSRY-CQSZACIVSA-N	320.393	1.783	50	20	DDGD	
CO[C@H]1CC(=NNC(=O)[C@H](C)CN2CCOCC2)C12CCC2	834932493	IGFLAJFVHSHRGI-OCCSQVGLSA-N	309.410	1.016	50	20	DDGD	
COC(=O)N1CCC(C(=O)NNc2cc(Cl)ccn2)CC1	831794286	ISIVLIBCSSRHDO-UHFFFAOYSA-N	312.757	1.657	50	20	DDGD	
O=C(O)COc1ccc(C(=O)NNc2ccc(Cl)nc2)cc1	833253570	KFXHVBXKDGBQSB-UHFFFAOYSA-N	321.720	1.955	50	20	DDGD	
COC(C)(C)CNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	743675590	ZFEBSMVRKFEGFF-UHFFFAOYSA-N	323.437	1.958	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CCn2ccccc2=O)n1	748339579	XCVOTCXBQROCPI-UHFFFAOYSA-N	307.741	1.134	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F	910145577	BWPAPNLXLMEPMR-AMFGXWJMSA-N	308.344	1.945	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=Cc1ccc(O)cc1O	747636988	XIDOBDGCZVEMQB-UHFFFAOYSA-N	310.313	1.438	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccccc2F)c(C2CCC2)n1	840239536	QRDAUQQGNOKHFL-UHFFFAOYSA-N	316.336	1.902	50	20	DDGD	
CSc1nc(C2CC2)cc(C(=O)NN(C)C[C@@H](C)O)c1C#N	910180180	SWSQJECLUDFLIX-SECBINFHSA-N	320.418	1.510	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)O[C@@H](C)c1nnnn1C	844504388	VRMRYPAQOLEHJB-VIFPVBQESA-N	312.761	1.180	50	20	DDGD	
C[C@H](CN)CNC(=O)NNC(=O)c1cc2c(s1)CCCCC2	841963901	XBSDBVMNCNUKNY-SNVBAGLBSA-N	324.450	1.556	50	20	DDGD	
O=C(CCN1CCOCC1)NNc1ccc(Cl)c(F)c1	746696918	CSYBYUDBXGZWOQ-UHFFFAOYSA-N	301.749	1.645	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1c[nH]cc1-c1ccccc1	843973406	LBSFRRDZBSKQBK-YPMHNXCESA-N	313.357	1.868	50	20	DDGD	
CC[C@H]1CN(CC(=O)NNC(=O)c2ccc(C)cc2)[C@H](C)CO1	844389973	BPLUZSFGNATAGI-HIFRSBDPSA-N	319.405	1.255	50	20	DDGD	
CCC(=NNC(=O)COc1ccccc1C#N)[C@@H]1CCOC1	741836397	AANKNTCTYPSMIJ-CYBMUJFWSA-N	301.346	1.856	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CCOC[C@H]2CCCO2)n1	748336062	SNDFPTAANQYADF-SNVBAGLBSA-N	314.773	1.467	50	20	DDGD	
CCOC(=O)[C@@H](NNC(=O)[C@H]1CCCCO1)c1ccccc1	842150584	GZPSPIBHHZQWHU-KGLIPLIRSA-N	306.362	1.481	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNc1nc2ccccc2n1C	848380510	IHPMLSKIQHGYPE-JTQLQIEISA-N	304.350	1.606	50	20	DDGD	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)CC(F)(F)F	918703556	BXGQHCSKVSDQIN-ZZXKWVIFSA-N	317.223	1.708	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1	910163250	OARFSDJWSDMGHW-LBPRGKRZSA-N	321.421	1.306	50	20	DDGD	
O=C(NNC(=O)c1ccc2n[nH]cc2c1)c1ccc(Cl)nc1	746588205	HRTCTXRKEFEFQS-UHFFFAOYSA-N	315.720	1.686	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NNC(=O)CSc1ccc(C)cc1	916140836	CGNVRGVTTSLBQQ-CHWSQXEVSA-N	308.403	1.660	50	20	DDGD	
CCC(CC)(CO)C(=O)NNC(=O)Cn1ccc2ccccc21	847448156	YWQXICDDPQTBBR-UHFFFAOYSA-N	317.389	1.587	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCC2(N)CCCCC2)n1	841924366	RBGQAGCRRBPZNJ-UHFFFAOYSA-N	308.386	1.081	50	20	DDGD	
O=C(NNC(=O)c1cccc2c1CCC2)c1ccc2c(c1)OCO2	920017121	BSWIMJOFTWQYSK-UHFFFAOYSA-N	324.336	1.979	50	20	DDGD	
COc1ccc(C(=O)NN=C[C@@H](OC)[C@@H]2CCOC2)cc1OC	841605774	UWMIUMAECWZQHC-IUODEOHRSA-N	322.361	1.471	50	20	DDGD	
CCn1ccc(CC(=O)NNc2nccnc2C2CCC2)n1	846156314	UFJKRAAGLHAURM-UHFFFAOYSA-N	300.366	1.646	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n[nH]1	747765576	CYQNIPHVKNQCRX-UHFFFAOYSA-N	312.289	1.872	50	20	DDGD	
C[C@@H](COCC1CC1)NC(=O)NNC(=O)c1cccc(C#N)c1	845579994	DOCTWORIVKKZJB-NSHDSACASA-N	316.361	1.317	50	20	DDGD	
O=C(NN=Cc1coc2ccccc12)[C@@H]1CCS(=O)(=O)C1	746567216	XPHXMLYSWFYYFS-SNVBAGLBSA-N	306.343	1.318	50	20	DDGD	
NC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)Nc1ccc(Cl)cc1	848044469	JFMSOYGAQRSVRT-UWVGGRQHSA-N	310.741	1.004	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@@H]1NCCc2ccccc21	841998738	USXXKOITKJCMHE-ZDUSSCGKSA-N	304.394	1.250	50	20	DDGD	
O=C(NNC(=O)c1ncccc1OCC(F)(F)F)NC1CC1	752518130	ZMYHAEQRQXZQAY-UHFFFAOYSA-N	318.255	1.129	50	20	DDGD	
COC(=O)c1cc(C(=O)NC[C@@]2(C)C[C@H]2Br)c[nH]1	857389147	YVYRGUJWXOBNNB-BXKDBHETSA-N	315.167	1.705	50	20	DDGD	
COCc1csc(CNC(=O)NNc2ccc(C)nn2)c1	852567566	QSGRETLNNIGRJB-UHFFFAOYSA-N	307.379	1.819	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2C[C@@H](C)Cc3c[nH]nc32)nc(C)n1	857857028	GUAGNSQMIUHVAQ-QPUJVOFHSA-N	300.366	1.626	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(-c2nnco2)ccc1C	756517875	VVEIUFVPKTXMGN-UHFFFAOYSA-N	319.321	1.234	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnn(CCC(C)C)c1CC	757594735	QUTWUBKGFSCYMC-UHFFFAOYSA-N	309.414	1.798	50	20	DDGD	
CN1CC[C@H]1CNC(=O)NNc1ccccc1OC(F)(F)F	925416017	GXKHWWNXALACAB-VIFPVBQESA-N	318.299	1.915	50	20	DDGD	
Cn1ncc(C2CC2)c1C=NNC(=O)COc1ccccc1C#N	853271427	CWDFCRUNKFVYMM-UHFFFAOYSA-N	323.356	1.698	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@H](C)[C@@H](C)S(C)(=O)=O	855369547	PSIFFGMJBIOCQL-NXEZZACHSA-N	302.371	1.646	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(c2ccncc2)C[C@@H]1C	925488348	SGFASTFQHFOQCU-BSHRGCEOSA-N	300.362	1.563	50	20	DDGD	
CC1CCN(C(=O)C(=O)NNc2ccc([N+](=O)[O-])cc2F)CC1	855623011	SLGLPQWRERALGE-UHFFFAOYSA-N	324.312	1.436	50	20	DDGD	
O=C(CN1CSCC1=O)NNc1cc(F)cc(Cl)c1	855619922	XEPJUPMKMLVTFI-UHFFFAOYSA-N	303.746	1.455	50	20	DDGD	
C[C@H]1COC[C@H]1NC(=O)NNC(=O)Cc1c[nH]c2ccccc12	925992969	SUDJUPHOQXEFJV-IINYFYTJSA-N	316.361	1.076	50	20	DDGD	
COC[C@H](OC)C(=O)NNC(=O)Cc1ccc2ccccc2c1	856992956	GKJPDWRPUREIFF-HNNXBMFYSA-N	316.357	1.191	50	20	DDGD	
C[C@]1(CNC(=O)C[C@H]2CCC(=O)NC2)C[C@H]1Br	857385830	MHPKTBRLDNLOEK-KBVBSXBZSA-N	303.200	1.192	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(C(C)=O)cs2)nc1	759730657	WFISQYIBOWRXFW-UHFFFAOYSA-N	319.342	1.889	50	20	DDGD	
COCc1cccc(C(=O)NNc2ccc(C(=O)OC)cn2)c1	759721462	LQQWLIPKAHQILO-UHFFFAOYSA-N	315.329	1.772	50	20	DDGD	
CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(C)c(C)c1	920380160	HEUWFGZQJVOLBT-CQSZACIVSA-N	323.418	1.514	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@H](OC)C2CCCC2)n1	852654265	CZGJDLBKWUQFRH-LBPRGKRZSA-N	323.397	1.625	50	20	DDGD	
C[C@]1(CN2C(=O)N[C@H](c3ccccn3)C2=O)C[C@@H]1Br	857227085	FYMMJLPVMVMUBX-OPQQBVKSSA-N	324.178	1.848	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Cn2nc(C)cc2C)c1C	854232358	NFOWOZFFYXSDOU-UHFFFAOYSA-N	316.361	1.278	50	20	DDGD	
CCOC(=O)C[C@@H](O)COC(=O)/C(C#N)=C\c1ccc(C)cc1	859455220	YZLKCLUTUZELEG-CKNOQMABSA-N	317.341	1.759	50	20	DDGD	
CC[C@H]1CN([C@H](CC)C(=O)NNc2cccc(C#N)c2)CCO1	855621731	NMBLTJQTJPDHLA-JKSUJKDBSA-N	316.405	1.891	50	20	DDGD	
N#CSCCCNC(=O)c1cncc(N2CCOCC2)c1	854361653	IFHPTNXDLKMBDR-UHFFFAOYSA-N	306.391	1.252	50	20	DDGD	
COc1ccc(C(F)(F)C(=O)NNC(=O)NCC2CC2)cc1	755664646	MUWSXPXAIZBRTA-UHFFFAOYSA-N	313.304	1.527	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(C(=O)C(C)(C)C)cc1	756866563	VPSBLXMVLZPHEL-UHFFFAOYSA-N	307.350	1.715	50	20	DDGD	
CC(C)c1ccc(C(=O)NNc2cnnn2C)cc1[N+](=O)[O-]	857272776	HECXKKPAJDIECV-UHFFFAOYSA-N	304.310	1.604	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cccc2c1OCO2)C1CC1	855102769	MVQZYXHSCOOVPZ-MRVPVSSYSA-N	307.375	1.323	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCCOc1ccc(C)c(C)c1	854924868	VTUAKDZFDYNIBU-UHFFFAOYSA-N	309.435	1.930	50	20	DDGD	
CSCCCNC(=S)NNC(=O)c1cccc(F)n1	853051633	HBRFDCHNPWVOSA-UHFFFAOYSA-N	302.400	1.083	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1ccn(-c2ccccc2)n1	756920786	HOVOOPBGQKPMQP-UHFFFAOYSA-N	315.377	1.545	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@@H]3NCC[C@@H]3C2)C[C@@H]1Br	857105325	JNCGUMSTDRMLCG-MPPDQPJWSA-N	316.243	1.553	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)Cc2ccccc2F)nnc1C	756583762	QVVHZKOQBBGLNU-UHFFFAOYSA-N	317.324	1.628	50	20	DDGD	
CC1(C)C(=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)[C@H]2CCCO[C@@H]21	853388477	INYNBBPIKWACAZ-CXTNEJHOSA-N	321.421	1.157	50	20	DDGD	
Cn1c(=O)oc2cc(C=NNC(=O)c3ccc(O)cc3)ccc21	754895349	OBUYDAOSXVCTQN-UHFFFAOYSA-N	311.297	1.601	50	20	DDGD	
COC[C@@](C)(NC(=O)NNC(=O)C1CCCC1)C(F)(F)F	932334886	RVNXYGGWIREEOQ-LLVKDONJSA-N	311.304	1.474	50	20	DDGD	
COC[C@@H](C)CC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)OC)c1	755310880	RDUWMGUDEZYFRV-VIFPVBQESA-N	311.290	1.959	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2cnn(C(C)C)c2N)c1	758334247	CQNUJFBQOHGFIE-UHFFFAOYSA-N	307.329	1.951	50	20	DDGD	
O=C(NN=Cc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1	755621882	UKUJAFCSTMVPDR-VIFPVBQESA-N	318.757	1.364	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C2(OC)CCCC2)cc1	754174076	PAMKFMFOCZGCLA-UHFFFAOYSA-N	321.377	1.214	50	20	DDGD	
C[C@@H](NNC(=O)[C@]1(C)Oc2ccccc2NC1=O)C(F)(F)F	869377431	YSSNBUYRRAKYLZ-JMCQJSRRSA-N	317.267	1.348	50	20	DDGD	
Cc1cc(=NNC(=O)CNC(=O)CC2CCCCC2)cc[nH]1	862510929	ZPXWAVDFOVPNHS-UHFFFAOYSA-N	304.394	1.342	50	20	DDGD	
N#CC1=CCN(C(=O)CCNC(=O)c2cc3ccccc3[nH]2)CC1	867108650	XRBQLHNMFUNQBU-UHFFFAOYSA-N	322.368	1.970	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1nn(C)c2ccccc12)C1CC1	862150327	NRGAFXDJNOJFLO-SECBINFHSA-N	317.418	1.481	50	20	DDGD	
CC(=O)Nc1ccccc1CC(=O)NN[C@H](C)C(F)(F)F	862317299	KBWFWMDCDVQVDO-MRVPVSSYSA-N	303.284	1.759	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C[C@H]2CCC[C@H](C(F)(F)F)C2)N1	863150635	APLHZKKZWSKUIC-LPEHRKFASA-N	305.300	1.736	50	20	DDGD	
CC[C@@H](SC)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	767672887	FFPJNUZSDSIPHV-GFCCVEGCSA-N	324.402	1.441	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)Nc1ccc2ccccc2c1	764144630	YPRFBJRXTWNYFF-UHFFFAOYSA-N	311.341	1.726	50	20	DDGD	
CC1=NO[C@@H](CNS(=O)(=O)c2ccc(CCCl)cc2)C1	867346802	MWWJDEKBHRAIPF-GFCCVEGCSA-N	316.810	1.911	50	20	DDGD	
CCc1noc(COCC(=O)NNc2cc(C)cc(C)c2)n1	935022749	YINQLVGRUNTJJF-UHFFFAOYSA-N	304.350	1.909	50	20	DDGD	
CCc1ccc([C@H](C)C(=O)NNC(=O)COCCOC)cc1	869909227	NNPLVWCVJNQMQP-LBPRGKRZSA-N	308.378	1.163	50	20	DDGD	
C=CCSc1ccccc1C(=O)NNC(=O)COCCOC	869907334	IZBXUKMQUPVYCX-UHFFFAOYSA-N	324.402	1.389	50	20	DDGD	
O=C(C#Cc1ccc2c(c1)OCO2)NNC(=O)C1CCCC1	761922644	WDSXEUKUJAAIGA-UHFFFAOYSA-N	300.314	1.104	50	20	DDGD	
COc1cccc(CCC(=O)NN=c2cc[nH]c(C)c2)c1OC	862509916	XZGIBRGEANZQNU-UHFFFAOYSA-N	315.373	1.905	50	20	DDGD	
COCC(=NNC(=O)[C@@H]1CCC(=O)N1)c1cccc(Cl)c1	863150278	QMSGKPGIBLTGSF-NSHDSACASA-N	309.753	1.085	50	20	DDGD	
CON(C)C(=O)[C@H](C)NC(=O)[C@@H](Br)C(C)(C)C	863629416	OQCCGLVUNRNVMP-JGVFFNPUSA-N	309.204	1.321	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C2CSC2)ccc1OC(C)C	864514234	QHIWZZJDCPPNSC-UHFFFAOYSA-N	324.402	1.606	50	20	DDGD	
C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)CCl)CC2)C1	1116437634	LBCSXGWSDJIETF-QWHCGFSZSA-N	315.845	1.064	50	20	DDGD	
C[C@@H]1CN(C(=O)C(=O)NC[C@]2(C)C[C@@H]2Br)C[C@@H]1C	1118764838	OXDGSPPSVHGTBF-WJZNIJOASA-N	317.227	1.391	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)c2ccc(O)nn2)c1	1116868801	NUHZIIGCGVGJGL-UHFFFAOYSA-N	316.321	1.033	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)COC(=O)C1CC=CC1	767349593	NKWXYVTVBFQGBJ-UHFFFAOYSA-N	316.357	1.194	50	20	DDGD	
CC[C@@H](OC1CCCC1)C(=O)NNC(=S)NCCSC	769764997	GRKVEYLFXFJNFY-LLVKDONJSA-N	319.496	1.583	50	20	DDGD	
Cc1cccc(C)c1C(=O)NNC(=O)C(=O)Nc1ccccn1	762258107	CQUWCRHRMIWSKO-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
CCc1cccnc1C(=O)NNC(=O)COc1ccccc1O	766799705	PORFYSROBBTYSD-UHFFFAOYSA-N	315.329	1.190	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1cc(Cl)c(Cl)cc1F	1116917945	SKESIOQVOMJMOL-UHFFFAOYSA-N	310.112	1.668	50	20	DDGD	
C=C[C@@H](COC)NC(=O)NNc1ccc(C(=O)OC)cc1F	1117863859	ZMMZLRGELPERDX-JTQLQIEISA-N	311.313	1.439	50	20	DDGD	
CC(=O)N(C)CC(=O)NNC(=S)Nc1cc(C)ccc1C	873754366	JFKLGCDHTBJANK-UHFFFAOYSA-N	308.407	1.099	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](C)COc1c(C)cccc1C	875146363	AWLCRCBWMYJRKH-LBPRGKRZSA-N	309.366	1.983	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1ccccc1-n1cccn1	775529384	LEAWFXDMSADSPZ-UHFFFAOYSA-N	321.340	1.954	50	20	DDGD	
C[C@](NC(=O)NNC(=O)CCO)(c1ccccc1)C(F)(F)F	1119937411	AKYPROQCNDJFNV-LBPRGKRZSA-N	319.283	1.177	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc([S@@](C)=O)c2)o1	770246574	SGNKICZGZULXAG-OAQYLSRUSA-N	306.343	1.400	50	20	DDGD	
O=C(NNC(=O)C1CCC=CCC1)c1ccc2c(c1)OCO2	873749165	HUSPQBPLQNYTKE-UHFFFAOYSA-N	302.330	1.923	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cn2ccnc2C(C)C)c1	779777311	PNGCJPAUWJCKPT-UHFFFAOYSA-N	300.362	1.776	50	20	DDGD	
CCCn1cc(C=NNC(=O)[C@H](C)CN2CCC(C)CC2)nn1	872335427	PDKZOVUPYJSYTE-CQSZACIVSA-N	320.441	1.506	50	20	DDGD	
CC[C@H](C(=O)NNC(=S)Nc1ccc(C)cc1C)N(C)C	873759587	YFOFQPUYJBWXEH-CYBMUJFWSA-N	308.451	1.961	50	20	DDGD	
Cc1cccc(NNC(=O)NCc2ncccc2N(C)C)n1	875593010	ADSARRKTAUJDPR-UHFFFAOYSA-N	300.366	1.677	50	20	DDGD	
COc1ncc(NC(=O)NNc2ccc(F)cc2)cc1C(N)=O	770071370	RRDNZJYLAZZKPM-UHFFFAOYSA-N	319.296	1.477	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc([N+](=O)[O-])c(OC)c1	770602251	MIVDTOIAOPYGOZ-UHFFFAOYSA-N	310.310	1.273	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)COc2ccccc2O)o1	772224900	FJAWSSLFXQBJDA-UHFFFAOYSA-N	318.285	1.028	50	20	DDGD	
COC(=O)C[C@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(C)(C)C	889170501	XLICNWIEQRZSCA-TZQNSNDFSA-N	318.377	1.421	50	20	DDGD	
Cc1nc(C(C)C)ncc1C(=O)NNC(=O)[C@@H]1CCCCO1	880157497	JXOHKFKLAQWUIO-LBPRGKRZSA-N	306.366	1.239	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@]1(CO)C[C@@H]1c1ccccc1	882204269	LVKUFJYJJRBSSJ-KGLIPLIRSA-N	317.838	1.701	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@@](C)(O)C(C)C	771116046	TWLOMIDFCQSNLZ-AWEZNQCLSA-N	314.769	1.517	50	20	DDGD	
Cn1nc(CNC(=O)NNc2ccc(F)cn2)cc1C1CC1	1122134394	OKHAKLGNEPMBBU-UHFFFAOYSA-N	304.329	1.658	50	20	DDGD	
COC[C@H](CNC(=O)NNc1ccccc1C(F)(F)F)OC	781393478	AWKLMABCVUUQLS-VIFPVBQESA-N	321.299	1.993	50	20	DDGD	
C[C@H]1Oc2ccccc2[C@@H]1NC(=O)NNC(=O)C1CCOCC1	883650515	HMJLHVXYQWRJJQ-QMTHXVAHSA-N	319.361	1.266	50	20	DDGD	
CC(C)[C@H](CNS(=O)(=O)CCCCl)c1ccnn1C	882115141	HEVFTVCMWKBEQV-NSHDSACASA-N	307.847	1.708	50	20	DDGD	
CCOC(=O)C1(CC(=O)NNc2cc(C)nc(C)n2)CCC1	789906878	PXLXEGYUEIHGHW-UHFFFAOYSA-N	306.366	1.660	50	20	DDGD	
CC(C)[C@@H](F)C(=O)NNC(=O)CSc1ccccc1O	784458199	AOFAGIRKUAPCOX-GFCCVEGCSA-N	300.355	1.626	50	20	DDGD	
COC1CCC(C(=O)NNc2nc(-c3cccnc3)no2)CC1	780652043	UTDRVQMJYBHLKS-UHFFFAOYSA-N	317.349	1.780	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1	780602033	TYLCBLXXFUVHDL-UHFFFAOYSA-N	319.277	1.164	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1cn(Cc2ccccn2)nn1	781360452	AVESSDJFMFFRCG-UHFFFAOYSA-N	313.296	1.012	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ccc(OC)cn2)cc1	781520613	CSZXDAPJYVDBGH-UHFFFAOYSA-N	316.317	1.181	50	20	DDGD	
CC[C@@H](C)NC(=O)CCNC(=O)NNc1ncncc1Cl	780973072	BMWRJCMHASEUEH-MRVPVSSYSA-N	314.777	1.061	50	20	DDGD	
COc1ccc(NNC(=O)c2c[nH]nc2-c2cnn(C)c2)cc1	781919594	FVVGMXYKVWCHHP-UHFFFAOYSA-N	312.333	1.576	50	20	DDGD	
COc1cccc(NNC(=O)c2cccc3nc(O)oc23)n1	780769883	XXRFUKHETUZKJT-UHFFFAOYSA-N	300.274	1.694	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC=C(C)C)cc1OC	790537135	UMXIBHMPDJQWDT-UHFFFAOYSA-N	307.350	1.614	50	20	DDGD	
O=C(CN1CC[C@H](c2ccccn2)C1)NNC(=O)c1ccccc1	799195503	DDUHCVXCUCNSPC-HNNXBMFYSA-N	324.384	1.332	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)COc1cccc(C)c1	792799346	PGRQLRXSPAFINW-SWLSCSKDSA-N	308.378	1.582	50	20	DDGD	
COC[C@@H](C)OC(=O)/C(C#N)=C/c1ccc(C(=O)OC)cn1	899339634	SDSPQXSAWHQRDA-HAAVITCDSA-N	304.302	1.353	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)CN1C(=O)CN(C)C1=O	794953285	IUWCXACEAAEHEF-UHFFFAOYSA-N	318.377	1.456	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)C(C)(C)C)C[C@@]2(CCCOC2)O1	796548990	FDPXBEFTTOKKOU-IAQYHMDHSA-N	313.398	1.043	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2cc(C)nc3ccccc23)CC1	799009119	LRIZIUNNCDYBBN-UHFFFAOYSA-N	313.357	1.731	50	20	DDGD	
Cn1ccnc(NNC(=O)c2ccc(F)c3ccccc23)c1=O	795151851	UWFXQDQMIDHTBN-UHFFFAOYSA-N	312.304	1.830	50	20	DDGD	
CNS(=O)(=O)c1ccc(NC(=O)NNc2ccccc2)nc1	792399348	AFPIXVUYADMHKU-UHFFFAOYSA-N	321.362	1.138	50	20	DDGD	
CC(C)n1ccc(NC(=O)C(=O)NNc2c(F)cccc2F)n1	797019804	JPQODMPIXHOYFL-UHFFFAOYSA-N	323.303	1.824	50	20	DDGD	
O=C(NN=C1CCC[C@@H]1c1ccccn1)C(=O)N1CCCC1	794898756	BKZRWUDAISMJIZ-GFCCVEGCSA-N	300.362	1.444	50	20	DDGD	
COc1ccc(C=NNC(=O)N2CCN(C)CC2)c(Cl)c1	790174448	OWXLSUNUVQGMQE-UHFFFAOYSA-N	310.785	1.640	50	20	DDGD	
O=C(CO[C@H]1CCOC1)NNC(=O)c1cccc2ccccc12	1318922722	FEKLSFWEIVBIRU-ZDUSSCGKSA-N	314.341	1.406	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCCC[C@@H]2N(C)C)o1	1319135125	KPQQXIIRXBDIEH-NEPJUHHUSA-N	308.382	1.405	50	20	DDGD	
C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NN	1579487179	VGYIBBAPPNNDIH-WCQYABFASA-N	323.393	1.475	50	20	DDGD	
CCO[C@@H]1COC[C@H]1NC(=O)NNc1ccc(C(C)(C)C)nn1	1324597141	BPNIDXGUSKMYIM-GHMZBOCLSA-N	323.397	1.204	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NOCCN(C)C)cc1	1329295397	IQAIBYUUKZAIEK-KAMYIIQDSA-N	303.362	1.602	50	20	DDGD	
CC(=NNC(=O)CCO)c1ncc(Br)cc1F	1320460350	DCANHQGOVNEACY-UHFFFAOYSA-N	304.119	1.206	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)CC2CC2)c(C)c1	1337784171	WYJWPXCLGHCFHF-UHFFFAOYSA-N	305.334	1.734	50	20	DDGD	
CN(CCCF)c1nnnn1C[C@@]1(C)C[C@H]1Br	1335162823	YNIWPQHTQZKQCG-PSASIEDQSA-N	306.183	1.642	50	20	DDGD	
CC(C)NC(=S)NNC(=O)Cc1cc(-c2ccccc2)on1	1339760786	MSZPRWPZEOXPSY-UHFFFAOYSA-N	318.402	1.788	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2n[nH]c3c2CCCC3)sn1	1331266609	CLOCURRQSZLKPV-UHFFFAOYSA-N	320.378	1.520	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNc2cccc(F)c2C(=O)O)nn1	1603567240	ADYQCGJUYIANDF-UHFFFAOYSA-N	321.312	1.627	50	20	DDGD	
Cn1cc(C(=O)NNc2ccccc2C(=O)O)c(C2CC2)n1	1600932719	RBYTVRSUMJCOBQ-UHFFFAOYSA-N	300.318	1.753	50	20	DDGD	
CO[C@H]1CC[C@@H](NC(=O)NNc2cccc(-c3nn[nH]n3)c2)C1	1605028140	BYUFMEVZGIDWKU-PWSUYJOCSA-N	317.353	1.060	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H](C(=O)O)C1CCCC1	1603109901	OGESTLNKUQMJFQ-LLVKDONJSA-N	306.366	1.934	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)c1	1600544877	MRNCOYUFIRARGJ-NWDGAFQWSA-N	320.345	1.022	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C[C@H](C)CC(=O)O)cc1C	1600467851	JWKKFSPYUUVQBH-JTQLQIEISA-N	322.361	1.331	50	20	DDGD	
O=C(O)[C@H]1CSCCN1CCCI	1601860266	LEBHOUGBHRFIJW-SSDOTTSWSA-N	315.176	1.314	50	20	DDGD	
O=C(O)CCc1ccccc1C(=O)NNC(=O)NC1CCCC1	1602045262	IADCBFYXIDBDIV-UHFFFAOYSA-N	319.361	1.590	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2c(C)coc2CC(=O)O)c1	1607924240	TXGCLKUMVMPABG-UHFFFAOYSA-N	322.342	1.660	50	20	DDGD	
COCc1nn(C)cc1C(=O)NNc1ccc(C)c(C(=O)O)c1	1606980061	IIECATSOUWNLPT-UHFFFAOYSA-N	318.333	1.330	50	20	DDGD	
O=C(NNC(=O)C(=O)O)N[C@@H]1CCc2cccc3cccc1c23	1608477386	IDMVSVGFIQILNF-GFCCVEGCSA-N	313.313	1.242	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)[C@H]1CCn2ccnc2C1	1602472276	XLSKKIAJJSJORT-JTQLQIEISA-N	300.318	1.287	50	20	DDGD	
CN(C)C1(C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCCC1	1604674156	ZBEOSAPGCHVFLL-UHFFFAOYSA-N	315.381	1.184	50	20	DDGD	
CC1CCN(C(=O)C(=O)NNc2ccc(C(=O)O)c(F)c2)CC1	1604741088	HLHUPOCTMNZKBQ-UHFFFAOYSA-N	323.324	1.226	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2sccc2C(=O)O)cn1	1608108579	AMGDUVROOFSSGS-RUDMXATFSA-N	302.315	1.725	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccnn2-c2ccccc2)nc1	1608904754	HQPQCZYULXOOQO-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)SCC(C)(C)C(=O)O	1603762302	ZNMXOYZNRGOOBC-VIFPVBQESA-N	304.412	1.412	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)c(Cl)c1)c1cc2n(n1)CCO2	1601554929	OMVGUAJMKLMJLN-UHFFFAOYSA-N	322.708	1.384	50	20	DDGD	
C[C@H]1C(=NNC(=O)NCC(=O)O)CCN1Cc1ccccc1	1609830504	LJEUMDKHWYVDPG-NSHDSACASA-N	304.350	1.021	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C[C@H](C)CC(=O)O)cc1	1610330265	IYMFZEIWVLDMBP-NSHDSACASA-N	322.361	1.276	50	20	DDGD	
Cc1c(CCC(=O)NNc2ccccc2C(=O)O)cnn1C	1610414502	DBHQFAWPNVNIQP-UHFFFAOYSA-N	302.334	1.503	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H](C(C)C)[C@@H](C)N)cc1C	1579727544	PCPGKQFQXYXZMP-CJNGLKHVSA-N	321.421	1.449	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H](C(C)C)[C@H](C)N)c1	1579581200	JVWLPAZQMGYARU-BBRMVZONSA-N	321.421	1.449	50	20	DDGD	
CCC(CC)(C(=O)O)C(=O)NNc1ccccc1C(=O)OC	1589475830	MSJOAYKYAYNATH-UHFFFAOYSA-N	308.334	1.807	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2cc(C(=O)O)ccc2Cl)CC1	1598609400	KMRVVPUXHTVRGI-UHFFFAOYSA-N	324.768	1.329	50	20	DDGD	
Cn1ncc(-c2nn[nH]n2)c1NC[C@]1(C)C[C@H]1Br	1592597675	JCMCHFVMSZDOCJ-XCBNKYQSSA-N	312.175	1.186	50	20	DDGD	
O=C(NNc1ccccn1)[C@@H]1C[C@H]1c1cccc(-c2nn[nH]n2)c1	1593166534	DBWBNFHTSGJPIR-QWHCGFSZSA-N	321.344	1.509	50	20	DDGD	
CCN(CCNC(=O)NNc1cccc(C(=O)O)c1F)C1CC1	1596335135	ZTZATDGOLRCPCI-UHFFFAOYSA-N	324.356	1.634	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H]1C(=O)NNc1cccc(Br)n1	1595182239	LWBJBCJKHULLRO-RNFRBKRXSA-N	314.139	1.398	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)NC1CCCCC1	1593164351	DJRWAPOBLCKYSM-UHFFFAOYSA-N	302.342	1.221	50	20	DDGD	
COCC[C@H](C)CNC(=O)NNc1cccc(-c2nn[nH]n2)c1	1591397760	CGGLBWOSBXKZLF-JTQLQIEISA-N	319.369	1.165	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C\c1cccn2c(C(=O)O)cnc12	1776825520	XXXOCUQZXCOANY-XFFZJAGNSA-N	319.342	1.722	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)O)nc1)c1ccc(Cl)nc1	1776036049	XKEYJOPOBWCKHV-UHFFFAOYSA-N	304.693	1.592	50	20	DDGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2c(C(=O)O)cnn2C)cc1	1776120001	SDSUGQJORJZMNC-XFFZJAGNSA-N	310.313	1.972	50	20	DDGD	
Cc1ccc(/C=C(\C#N)C(=O)OCC(=O)N2CCOCC2)cc1	5244379	MNNANBNTNCNSOR-XNTDXEJSSA-N	314.341	1.304	50	20	DDGD	
CO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl	1796810086	OWPBDOSIZBYBDK-QUARPLMYSA-N	306.765	1.194	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)/C=C/c2ccco2)cc1OC	15793265	MOXVXVGFZZGPPX-SOFGYWHQSA-N	316.313	1.771	50	20	DDGD	
CC(C)CN1CC[C@@H](CNC(=O)NNC(=O)OC(C)(C)C)C1	150761692	QNOUOOZJFMLRNP-LBPRGKRZSA-N	314.430	1.703	50	20	DDGD	
CC(=O)NNC(=O)C(=O)N1CC2(CCCC2)c2c(F)cccc21	161260767	HRRSOLUWWPSHMS-UHFFFAOYSA-N	319.336	1.151	50	20	DDGD	
O=C(NNc1ccccc1Cl)c1ccc2c(c1)C(=O)NC2=O	158195501	BJNQSVDYMSMRCH-UHFFFAOYSA-N	315.716	1.981	50	20	DDGD	
O=C(NCc1ccc(O)c(F)c1)NNc1ccc(Cl)nn1	163692820	OATFVLAMFMMSBV-UHFFFAOYSA-N	311.704	1.801	50	20	DDGD	
CSCc1noc(CCC(=O)NNc2cccc(C#N)c2)n1	152776394	HXAULEARJJFWQG-UHFFFAOYSA-N	317.374	1.880	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1ccc2c(c1)OCCO2	3616090	XUUGLGHVNQTXNU-GXDHUFHOSA-N	316.357	1.908	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1ccc(Cl)cc1F	156255813	GAQVNKLKMYHZTI-UHFFFAOYSA-N	306.688	1.902	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Cc1ccc2c(c1)CCCC2	109858513	GAGORBVNFJQSOA-UHFFFAOYSA-N	312.373	1.601	50	20	DDGD	
N#Cc1ccc(C(=O)NNS(=O)(=O)c2cccc(F)c2)cc1	57820423	VIVGKUCSVPFESQ-UHFFFAOYSA-N	319.317	1.321	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)Nc2ccncc2)cc1	56498888	XQMPOXSFLXFLRY-UHFFFAOYSA-N	300.318	1.947	50	20	DDGD	
COc1cc(C)nc(NNC(=O)COc2ccc(F)cc2)n1	174488958	FYLJHQHOXOVPCO-UHFFFAOYSA-N	306.297	1.455	50	20	DDGD	
NC(=O)NCCC(=O)NN(Cc1ccccc1)c1ccccc1	101656871	KFUUZKJJKOTWLS-UHFFFAOYSA-N	312.373	1.783	50	20	DDGD	
CNC(=O)NNC(=O)c1oc2ccccc2c1COC(C)C	56375117	IFLVAPLBUYIHTQ-UHFFFAOYSA-N	305.334	1.932	50	20	DDGD	
C[C@H](Cc1cccc(F)c1)C(=O)NNC(=O)NCC(F)(F)F	69171287	HPAPKZXFGYEDCR-MRVPVSSYSA-N	321.274	1.897	50	20	DDGD	
C[C@H](Oc1ccccc1Cl)C(=O)NNC(=O)Cc1cc[nH]n1	106417986	XCDUJHVWMJLLFP-VIFPVBQESA-N	322.752	1.221	50	20	DDGD	
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NNc2ccccn2)C1	176590128	MQOYGJZCNHEAQL-DCVWQXJKSA-N	310.423	1.788	50	20	DDGD	
O=C(CCc1nc2ccccc2[nH]1)NNC(=O)Cc1cccnc1	171511442	PHINSUUIKBYRAR-UHFFFAOYSA-N	323.356	1.281	50	20	DDGD	
COC(=O)NCC(=O)NNc1ccc(Br)cc1	65044833	QRSDBAHTBXCZQQ-UHFFFAOYSA-N	302.128	1.248	50	20	DDGD	
C=C(Br)CNC(=O)NNC(=O)c1ccc(C#N)cc1	64228480	FLEJQTIEZOVPQI-UHFFFAOYSA-N	323.150	1.411	50	20	DDGD	
CCC(CC)N1C[C@H](C(=O)NNc2nc(C)cc(C)n2)CC1=O	170922123	RURDAKUIQMJJKI-GFCCVEGCSA-N	319.409	1.574	50	20	DDGD	
CCNC(=O)NNC(=O)c1c(C)nn(Cc2ccccc2)c1C	65190749	AZXZEWGHWDZMIJ-UHFFFAOYSA-N	315.377	1.512	50	20	DDGD	
N#Cc1ccccc1/C=C/C(=O)NNC(=O)NCc1ccco1	65176677	JSJIEKFAVJRKQX-BQYQJAHWSA-N	310.313	1.695	50	20	DDGD	
COCCCCNC(=O)NNC(=O)c1cccc2cccnc12	64631074	FFJKIWDMKWRYAZ-UHFFFAOYSA-N	316.361	1.605	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCc2nc(C(C)C)no2)o1	177291371	FBXMKOGTFNADNA-UHFFFAOYSA-N	321.337	1.281	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)C[C@@H](C)O)c1C	126795946	RZNOJNGIRBLYRK-WPBJZHHJSA-N	319.405	1.498	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccncc2Br)o1	120344332	WKFHWNKRWIRFSQ-UHFFFAOYSA-N	324.134	1.820	50	20	DDGD	
C[C@H]1CCc2[nH]c3ccc(C(=O)NN(C)C(N)=O)cc3c2C1	182647483	RHSAWBIFDALMEK-VIFPVBQESA-N	300.362	1.948	50	20	DDGD	
Cc1cc(Cl)ccc1O[C@H](C)C(=O)NNC(=O)CN(C)C	75653335	DAVHDXVXYZWORP-SNVBAGLBSA-N	313.785	1.125	50	20	DDGD	
CCc1c(C(=O)NN(C)C(N)=O)cnn1-c1ccc(F)cc1	181082635	LDVDBVUAKFWQEL-UHFFFAOYSA-N	305.313	1.229	50	20	DDGD	
C[C@@H](NC(=O)CC(C)(C)C)C(=O)NNc1nccnc1Cl	188283913	NCPIBKIXVMMLHY-MRVPVSSYSA-N	313.789	1.514	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cnc(OCC2CC2)c(Cl)c1	184220677	NRMCTJUMNJPWNW-UHFFFAOYSA-N	312.757	1.440	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)CCN1CCCS1(=O)=O	184369061	YERNOOKWGYRIAT-UHFFFAOYSA-N	315.370	1.003	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc(F)c(Br)c1	79803611	QSIMYYZYXOVFDM-UHFFFAOYSA-N	318.146	1.941	50	20	DDGD	
Cn1cc(NC(=O)NNC(=O)Cc2cccc3ccccc23)cn1	183224931	ADZPQDWYLQVEOU-UHFFFAOYSA-N	323.356	1.969	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(OCC(F)F)nc2)n1	180741553	QRFNWLKOGHECDM-UHFFFAOYSA-N	324.287	1.886	50	20	DDGD	
CO[C@]1(C)C[C@@H](NC(=O)NNC(=O)c2ccccc2F)C1(C)C	74943762	HAEMGXJYPLXHDF-MLGOLLRUSA-N	323.368	1.973	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NNC(=O)Cc1c[nH]c2ccccc12	220655128	HONAIELOFZYDAI-BENRWUELSA-N	312.329	1.302	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc([S@@](C)=O)cc2)n1	192983702	RCVSHCHYKAKWDN-OAQYLSRUSA-N	304.375	1.588	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1cc(F)ccc1C	49124633	WUOMDIGMRYFYJN-UHFFFAOYSA-N	303.359	1.427	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(C)o2)C12CCC2	84441549	NOZIQIUGKBEQLV-OLZOCXBDSA-N	321.377	1.880	50	20	DDGD	
CCOCCCNC(=O)NNC(=O)COc1cccc(C)c1	45118581	MPSAKOOTFBYUCZ-UHFFFAOYSA-N	309.366	1.131	50	20	DDGD	
COc1nccnc1NNC(=O)CCc1cccc(F)c1F	132098532	WGOZALLSIOZUON-UHFFFAOYSA-N	308.288	1.839	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cnsn2)c1C	47816096	OLCVEJVLTKAKII-SNVBAGLBSA-N	320.374	1.383	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)Nc1ccccn1	83056612	DTSJKPZYULXWNF-UHFFFAOYSA-N	310.317	1.125	50	20	DDGD	
C[C@@H](C#N)Oc1ccc(/C=C(\C#N)S(=O)(=O)N(C)C)cc1	195321462	AJHSGVAFTQPJHL-KYJZABPNSA-N	305.359	1.733	50	20	DDGD	
Cc1ccc2cc(C(=O)NNC(=O)Cc3cccnc3)ccc2n1	132760318	RVLZCTGWFQDNMB-UHFFFAOYSA-N	320.352	1.942	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)/C=C\c1ccc(Cl)nc1	255125353	KITSNXMNPTXZDS-ALCCZGGFSA-N	304.737	1.548	50	20	DDGD	
CC(C)n1ccc(C(=O)NNC(=O)CCc2ccccc2O)n1	265056447	LBVKLUZXFBEUSB-UHFFFAOYSA-N	316.361	1.563	50	20	DDGD	
CCN1CCCC[C@@H]1CNC(=O)NNC(=O)c1ccccc1C	264772385	WKAZJRHOWLCCLZ-CQSZACIVSA-N	318.421	1.813	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@@]2(N(C)C)CCSC2)n1	267136910	DNXGZNSWJINJMV-AWEZNQCLSA-N	324.454	1.157	50	20	DDGD	
O=C(NCCc1ccc2c(c1)OCCO2)NNC(=O)C1CCC1	264703671	HMOWVPPGMRDAQL-UHFFFAOYSA-N	319.361	1.131	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNc1nc(C)cc(OC)n1	266898897	GXPFMANMPZFPGX-LLVKDONJSA-N	321.381	1.028	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H]1CCCN1C(C)=O	265326680	SPJOMVXKAKRLPN-LLVKDONJSA-N	308.290	1.520	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)NCc2ccco2)c1C	263820049	LWGNRVIAYUZZEX-UHFFFAOYSA-N	305.338	1.257	50	20	DDGD	
C[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)[C@H]1COc2ccccc2O1	264310797	LUENOXKWWDZPTM-UHIISALHSA-N	319.361	1.345	50	20	DDGD	
CN(C(=O)[C@H](Br)C(C)(C)C)[C@H]1CCCCNC1=O	364150683	ONVFNHAFRKODAM-UWVGGRQHSA-N	319.243	1.923	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@H]2CCCCN2C2CC2)n1	277425482	HUDHHMNIUZLQIH-LBPRGKRZSA-N	320.397	1.128	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc(SC)o1	271370674	ZELBMJUPZJWXSU-UHFFFAOYSA-N	305.450	1.473	50	20	DDGD	
COC(=O)[C@H](C)Cc1ccc(NC(=O)NNC(=O)C2CC2)cc1	274085732	HTWZOQQLSNRFMQ-SNVBAGLBSA-N	319.361	1.601	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNC(=O)C2CC2)cc1OC	272585147	BPQSSCGUABVOKW-JTQLQIEISA-N	306.362	1.440	50	20	DDGD	
CCOCc1cccc(NC(=O)C(=O)NNC(=O)CC(C)C)c1	274198947	REFMWEHRUWBZTN-UHFFFAOYSA-N	321.377	1.355	50	20	DDGD	
CCN(c1ccc(NC(=O)C(=O)NNC(=O)OC)cc1)C(C)C	274142677	BKNUOEMUPOUJSX-UHFFFAOYSA-N	322.365	1.247	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NNC(=O)c1ccncc1	274278540	CNPSLPBWCYZNLY-SECBINFHSA-N	314.183	1.652	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C(C)(C)C)c2ccccc2c1=O	277137968	VEIFPRMNVFQVCJ-UHFFFAOYSA-N	301.346	1.346	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1ccc(NC(=O)N(C)C)cc1	280078357	NOOUTQNHONNPAG-ACCUITESSA-N	316.361	1.840	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)C(=O)Nc1cnn(CC)c1	282050935	PVSDLERASOZCGY-UHFFFAOYSA-N	315.377	1.856	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)O1	282700596	XSDSWIVBDBALGZ-LNLATYFQSA-N	307.306	1.169	50	20	DDGD	
COC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)Nc2ccccc2)C1	283804799	WGKXFTMKRHCLTQ-RYUDHWBXSA-N	319.361	1.819	50	20	DDGD	
C[C@H]1CCCN(C[C@H](C)NC(=O)NNc2cccc(F)n2)C1	287280068	YLROKQQVPDTYLJ-RYUDHWBXSA-N	309.389	1.967	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H](NC(=O)c1cccc(C)c1)C(C)C	286306879	KENBNULKMHOOCE-ZDUSSCGKSA-N	321.377	1.479	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)C(=O)NCC2CC2)c(Cl)c1	283770853	PDUAUKBAZHVZHA-UHFFFAOYSA-N	324.768	1.327	50	20	DDGD	
Cc1ccn(CC(=O)NNc2nccnc2C2CCC2)c(=O)c1	286859316	BWODQASYNDLDAF-UHFFFAOYSA-N	313.361	1.358	50	20	DDGD	
CCc1ccc2occ(C(=O)NNC(=O)NCCCOC)c2c1	284956206	BTDSGRNSSVMCSA-UHFFFAOYSA-N	319.361	1.976	50	20	DDGD	
O=C(CCSCc1ccccn1)NNC(=O)[C@H]1CCCCO1	295590997	DGQXUCRULZAFIZ-CYBMUJFWSA-N	323.418	1.421	50	20	DDGD	
N#C/C(=C\c1cccc(OCCC(=O)O)c1)C(=O)NC1CC1	299330912	PBUQAYUSDVBJFW-XYOKQWHBSA-N	300.314	1.726	50	20	DDGD	
CSSCCNS(=O)(=O)CCOCC(F)(F)F	809844867	YWNDGMRHRTXDDH-UHFFFAOYSA-N	313.388	1.496	50	20	DDGD	
CCc1ncncc1C(=O)NNC(=O)Nc1ccc(OC)cc1	802061081	IZFNHCCQLJQBGJ-UHFFFAOYSA-N	315.333	1.514	50	20	DDGD	
COC(=O)NNC(=O)c1cc(Br)cc(N(C)C)c1	294686709	ABTOJHGLCWMVIR-UHFFFAOYSA-N	316.155	1.516	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)C[C@H]2OCCc3ccccc32)O1	294415457	YJBFMLPUHMROOO-TUKIKUTGSA-N	318.373	1.405	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)NNc1nnc[nH]1	298529030	VIOJZJIHCXXGIV-VHSXEESVSA-N	324.385	1.331	50	20	DDGD	
O=C1CC(C(=O)NNC(=O)C2CC2)(c2cccc(Cl)c2)C1	809950584	SXRPBKBMRZYYSD-UHFFFAOYSA-N	306.749	1.498	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc([C@@H]2CCOC2)cc1	296711048	AUGPFHQLXVSLCB-GFCCVEGCSA-N	306.366	1.888	50	20	DDGD	
CCOc1ncc(C)cc1NC(=O)NNC(=O)[C@@H]1CCCCO1	297431173	OWKRMWXRXGVJGR-LBPRGKRZSA-N	322.365	1.511	50	20	DDGD	
COC(=O)NNC(=O)CCCNC(=O)c1ccc(Cl)cc1	298286341	AQBXUEJQDRXZRF-UHFFFAOYSA-N	313.741	1.237	50	20	DDGD	
COc1ccc(NNC(=O)c2coc3c2C(=O)CCC3)nc1	295277074	KFPAYSNPBINWDQ-UHFFFAOYSA-N	301.302	1.959	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H](C)c2cnn(C)c2)cc1	802056648	WWISQSJOGXNANR-SNVBAGLBSA-N	317.349	1.385	50	20	DDGD	
COc1ccc(OCCNC(=O)NNc2cccc(F)n2)cc1	804860464	KYTILXKNCPSYMX-UHFFFAOYSA-N	320.324	1.934	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H]1CCCN1C(=O)c1ccccc1	294780976	RUIZNJBIFBXKCI-CYBMUJFWSA-N	318.377	1.030	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCCOC(F)F	801015551	DYLSBMMRXDSWFK-UHFFFAOYSA-N	317.292	1.269	50	20	DDGD	
CC(=NNC(=O)c1ccnnc1)c1nc2c(s1)CCCC2	817341114	ZPSDZTAIFMPCPK-UHFFFAOYSA-N	301.375	1.966	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NN=Cc1cnn(C)c1N	814790629	WGQHIVIKSKNRDO-UHFFFAOYSA-N	307.741	1.428	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H]1CCCOC1	819036735	GHSSVALMNZRNFR-SNVBAGLBSA-N	309.391	1.439	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)COc1ccccc1OC	812445756	YVNBRFIJXSXURB-VXGBXAGGSA-N	324.377	1.140	50	20	DDGD	
CCn1nncc1C(=O)NNc1ccnc(Br)c1	816157108	VVZCOHSXMNBFPB-UHFFFAOYSA-N	311.143	1.212	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cnc2c(F)ccc(F)c2c1	815140293	XVICUBGUTWQUEQ-UHFFFAOYSA-N	308.288	1.865	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cccc(Cl)n2)n1C	817007666	LDHLMGUVKBROJN-UHFFFAOYSA-N	308.725	1.617	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccc(OCC(F)(F)F)cc1	816769749	USKQAVQYLMYFFE-UHFFFAOYSA-N	315.255	1.513	50	20	DDGD	
O=C(C[C@@H](c1ccccc1)c1ncc[nH]1)NNC(=O)C1CCC1	819879379	MRWFIKPZMHBPGH-AWEZNQCLSA-N	312.373	1.879	50	20	DDGD	
CCn1c(=O)n(CC(=O)NCC(Cl)Cl)c2ccccc21	816604271	DRFFZRMBCSLQFL-UHFFFAOYSA-N	316.188	1.743	50	20	DDGD	
Cn1ncc(C=NNC(=O)c2cccc(Br)c2)n1	814857800	XPOWZEOFWKRODH-UHFFFAOYSA-N	308.139	1.342	50	20	DDGD	
C#Cc1ccc(C(=O)NNc2nc(-c3ccncc3)no2)nc1	728967929	PBWWSTXVUFXMTF-UHFFFAOYSA-N	306.285	1.265	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)C1(C)CC(F)(F)C1	821757069	RPLZGNZLABOTMG-UHFFFAOYSA-N	321.324	1.094	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)NNC(=O)C1CC1	492009193	UMIUONMAZPFSFJ-LLVKDONJSA-N	311.382	1.333	50	20	DDGD	
C[C@H]1OC(=O)N[C@@H]1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	495936614	SCLBDEGZKUFAON-ANLVUFKYSA-N	314.685	1.188	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@H]1NC(=O)/C(C#N)=C\c1ccc(O)cc1	491103776	LUMISRVNCSNLFF-PUCGFSNJSA-N	313.357	1.330	50	20	DDGD	
N#CSCCCNC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F	822728455	STMXFIQKTWNCIZ-YUMQZZPRSA-N	309.313	1.022	50	20	DDGD	
Cc1ncsc1/C=C\C(=O)NNC(=O)NCC(F)(F)F	492918044	DMAPMLALUVZWBL-IHWYPQMZSA-N	308.285	1.357	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C\c1cc2c(cc1OC)OCO2	491081488	GKJIDAFSIRETRI-WOFOBEMUSA-N	318.329	1.482	50	20	DDGD	
CC(C)COC[C@H](NC(=O)NNC(=O)C(C)C)c1ccco1	725868630	XYMPJVBMUQAKSG-LBPRGKRZSA-N	311.382	1.980	50	20	DDGD	
CN(C)c1ccnc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1	825883039	AZBSFZWGLQGAQE-UHFFFAOYSA-N	324.348	1.085	50	20	DDGD	
COc1ccccc1C[C@@H](C)N(C)CC(=O)NNC(=O)C(C)C	827905490	JJECGQZUWRGYAJ-CYBMUJFWSA-N	321.421	1.361	50	20	DDGD	
O=C(COc1cccnc1)NNC(=O)Cc1c[nH]c2ccccc12	726869794	VKKLQTKGJHGFIE-UHFFFAOYSA-N	324.340	1.332	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCc2ccccc2[C@@H]1C	827287377	DYCZQGWWPXCELJ-HUBLWGQQSA-N	317.389	1.772	50	20	DDGD	
OB(O)c1ccc(CNC2CCC(C(F)(F)F)CC2)c(F)c1	585017597	DJNFLGKQCYCSRF-UHFFFAOYSA-N	319.107	1.716	50	20	DDGD	
Cc1cc(F)c(C(=O)O)cc1S(=O)(=O)N1CC=C(C#N)CC1	906924110	BFKRAXHKYMIWDE-UHFFFAOYSA-N	324.333	1.677	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNC(=O)Nc1ccccc1	908049539	HRXWAUYSBTYXCM-IINYFYTJSA-N	313.361	1.929	50	20	DDGD	
C[C@]1(C(=O)NCCNc2ncccc2C#N)C[C@@H]1Br	906405320	ZZPNIPPBDHLOBN-GWCFXTLKSA-N	323.194	1.655	50	20	DDGD	
Cc1csc(NCCNC(=O)/C(C#N)=C\c2cnn(C)c2)n1	909445133	LDIBXLFLKXRVTI-XGICHPGQSA-N	316.390	1.320	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1Br)[C@H](O)C1CC1	828764178	UWZIWKCYIFKIJI-SNVBAGLBSA-N	321.121	1.941	50	20	DDGD	
CCn1cc(C=NNC(=O)CNc2ccc(OC)cc2)cn1	732527861	LZGDEJHZKVTTCK-UHFFFAOYSA-N	301.350	1.474	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1	732751897	VDOZQVCZKOPVGO-OLZOCXBDSA-N	309.410	1.219	50	20	DDGD	
O=C(/C=C/c1ccc[nH]1)NNC(=O)COc1ccc(F)cc1	492010131	NKESGOJNBNNSQM-VMPITWQZSA-N	303.293	1.393	50	20	DDGD	
CN(N=Cc1ccc(S(N)(=O)=O)cc1)C(=O)OC(C)(C)C	497269742	RCITXPXHDRNECS-UHFFFAOYSA-N	313.379	1.535	50	20	DDGD	
CC(C)(C)OC(=O)NCC1(C(=O)NNC(=O)C(C)(C)C)CC1	495349028	WHRPKGNGNULVGM-UHFFFAOYSA-N	313.398	1.485	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)Cc2ccccc2F)CCOC1	733351862	IFJXTSJYBJRFEW-HNNXBMFYSA-N	309.341	1.125	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1cc2c(s1)CCCC2	731282711	OXVDGYNYHBWGPW-UHFFFAOYSA-N	311.407	1.494	50	20	DDGD	
CC(=O)N1CCC(CNC(=O)[C@]2(C)C[C@@H]2Br)CC1	906584988	ZGQGMNYAARXFFD-WCQYABFASA-N	317.227	1.535	50	20	DDGD	
Cc1ncccc1C(=O)NNC(=O)COc1ccc(F)cc1	730998067	ILDKGUOPRXTCFA-UHFFFAOYSA-N	303.293	1.369	50	20	DDGD	
O=C(NC[C@@H]1CCC[C@H]1c1ccccc1)c1ccc(B(O)O)cc1	584994625	BXTKCGOCPMLFKR-WMZOPIPTSA-N	323.201	1.680	50	20	DDGD	
CO[C@H]1C[C@@H](N(C)S(=O)(=O)CBr)C12CCC2	832529906	RCPHIHJKDZWSNL-BDAKNGLRSA-N	312.229	1.558	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCC[C@@H](C)OC)c1ccccc1	732246523	UCELOOZDTAISSH-TZMCWYRMSA-N	307.394	1.936	50	20	DDGD	
CC[C@@H](OC1CCCC1)C(=O)NNC(=O)Cn1nc(C)cc1C	733127022	XMAKMFLUAQKEFT-CQSZACIVSA-N	322.409	1.385	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)[C@@H]1CCCCO1)C(=O)N2	834990651	UTWWSZCIEJYCNH-LBPRGKRZSA-N	303.318	1.037	50	20	DDGD	
CO[C@H]1C[C@H](N(C)CC(=O)NNC(=O)C(C)(C)C)C12CCC2	832209952	QOYSWSINQSXMES-RYUDHWBXSA-N	311.426	1.069	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCc1cccc(C(=O)O)c1	833422647	LJBQHAQAZZJALO-UHFFFAOYSA-N	321.377	1.694	50	20	DDGD	
OB(O)c1ccccc1CNCCCOCCc1ccccc1	585017490	YGDQQZCQEWTVJE-UHFFFAOYSA-N	313.206	1.105	50	20	DDGD	
O=C(NNS(=O)(=O)c1sccc1Cl)[C@H]1CCCCO1	830037003	IVMZZYQPMFWMLI-MRVPVSSYSA-N	324.811	1.280	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ncccc1N(C)C	907783602	VIKMRFZQEDLQAH-UHFFFAOYSA-N	300.366	1.818	50	20	DDGD	
Cc1cc2occ(CC(=O)N3CC[C@H](B(O)O)C3)c2cc1C	585076431	XKNFHWZDQJKDOC-ZDUSSCGKSA-N	301.151	1.667	50	20	DDGD	
O=C(Cc1ccsc1)NNC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1	833119971	KNPGLFVXGFNUCQ-GHMZBOCLSA-N	310.375	1.329	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C)[C@H](C)Cc1cccc(F)c1	839197081	ZOMDUCGPIXGBLZ-GFCCVEGCSA-N	309.385	1.492	50	20	DDGD	
COc1cccc(C)c1C=NNC(=O)[C@H](C)CN1CCOCC1	834934635	WZYRGXIMWNPVBU-CQSZACIVSA-N	319.405	1.422	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1ccc(OCC(=O)O)cc1	736126268	NLBDGAOEKOOFQQ-UHFFFAOYSA-N	316.317	1.038	50	20	DDGD	
CN1CCN(C(C)(C)CNC(=O)NNc2ccccc2)CC1	734268233	YLFXNOTYMMTUOP-UHFFFAOYSA-N	305.426	1.339	50	20	DDGD	
O=C(NNC(=O)c1cc(O)nc2ccc(F)cc12)NC1CC1	737816033	AJSFDCDQQVIYFH-UHFFFAOYSA-N	304.281	1.186	50	20	DDGD	
COC(=O)c1ccc(CCC(=O)NNC(=O)CC(C)C)cc1	731603472	SNZROVKSQOSTAG-UHFFFAOYSA-N	306.362	1.599	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNc1ccc2c(=O)[nH]ccc2c1	838775147	TYTPZYCJBIOCEV-KGLIPLIRSA-N	316.361	1.722	50	20	DDGD	
Cc1nn(C)cc1C(=O)NNc1ccc(C(=O)O)c(Cl)c1	833756131	ADCICJISTSAFSJ-UHFFFAOYSA-N	308.725	1.837	50	20	DDGD	
C[C@H]1CC[C@@](C)(C(=O)NNC(=O)N2CCN(C)CC2)C1(C)C	839733395	IMQGZRKQQAFWCL-LRDDRELGSA-N	310.442	1.437	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H](C)Cc2cnn(C)c2)n1	839690720	JQYHHANUTLIFBE-QMMMGPOBSA-N	308.773	1.494	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NN[C@H](C(=O)O)c1ccc(F)cc1	739340916	BWVIGEZOOOPXFE-HNNXBMFYSA-N	320.295	1.954	50	20	DDGD	
CC(=O)N1CCN(S(=O)(=O)CCl)CC12CCCCC2	830995527	FXTOSTHKEXSOFC-UHFFFAOYSA-N	308.831	1.380	50	20	DDGD	
COc1cccc(C(=O)NNC(=S)NCCSC)c1C	831575281	DOIOVRSHECQXTP-UHFFFAOYSA-N	313.448	1.476	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)COc2ccc(F)cc2)n1	834929918	JNFXBYUWRYUBEE-UHFFFAOYSA-N	305.313	1.275	50	20	DDGD	
C[C@H](C(=O)O)n1cccc1C=NNC(=O)Cc1ccncc1	833408539	ZRHQGFCDIJYZDX-LLVKDONJSA-N	300.318	1.222	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNc1cc(C(F)(F)F)ccn1	832962538	BZSVQWSMKSCIEU-SSDOTTSWSA-N	304.272	1.458	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1c(OC)nc2sccn12	744747485	PTBQZYXXRZXTOF-UHFFFAOYSA-N	323.422	1.586	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2cnc3cnccn23)cc1C	746370238	HMFBORVVIXPRHM-UHFFFAOYSA-N	323.356	1.875	50	20	DDGD	
CC(C)NC(=O)Nc1cccc(C(=O)NN(C)C[C@@H](C)O)c1	910169668	GIUKXVUVDFASSS-LLVKDONJSA-N	308.382	1.174	50	20	DDGD	
Cn1nnc2cc(C(=O)NNc3ccc(Cl)nc3)ccc21	743818648	HKFJLHGGNYYITN-UHFFFAOYSA-N	302.725	1.774	50	20	DDGD	
Cc1ccc(/C=C(/C#N)C(=O)OCCN2C(=O)CCC2=O)cc1	913234929	ZFEWLPBMBQNYBL-UVTDQMKNSA-N	312.325	1.594	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H]1CC(c2cc(C)ccc2C)=NO1	911441565	ZTWVZKYIHDCJQM-HNNXBMFYSA-N	305.378	1.142	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1ccccc1N1CCOCC1	842552541	BZQMRYHYHQSTDG-ZFWWWQNUSA-N	317.389	1.398	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1	848083646	JHTHPBVZZAPNAM-JTQLQIEISA-N	307.133	1.890	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@@H](C)NS(=O)(=O)CBr	841561686	SOTBDPHEBKASCN-VXNVDRBHSA-N	300.218	1.462	50	20	DDGD	
Cc1ccc(-c2n[nH]cc2C=NNC(=O)[C@@H]2CCO[C@@H]2C)o1	842555729	KVGDELJCFASSJG-ZYHUDNBSSA-N	302.334	1.853	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NC[C@H]2CCSC2)cc1	845160599	LQVVJZGSXJOLLP-GFCCVEGCSA-N	323.418	1.781	50	20	DDGD	
Cc1ccc(C(F)(F)F)cc1NC(=O)NNC(=O)CCCN	841133484	FHHWEUNXMWKGKT-UHFFFAOYSA-N	318.299	1.905	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1ccc(Cl)s1	842587314	ZBPPRNXQVZGLSD-NKWVEPMBSA-N	324.811	1.136	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)[C@@H]1CCO[C@H]1c1ccncc1	846632879	FVSLGZDSYBTDRG-ZBFHGGJFSA-N	317.389	1.887	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@]1(C)CCc2ccccc21	843660668	VMKLANHZLQFDQF-PLQHRBFRSA-N	302.374	1.463	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCNc1ccn(C)n1	844142762	HDIBBHYSQNXKAX-UHFFFAOYSA-N	324.816	1.314	50	20	DDGD	
COc1ccc(CCC(=O)NN=Cc2cc(C)nn2C)cc1	841621000	QEYSADFIEQIPAK-UHFFFAOYSA-N	300.362	1.820	50	20	DDGD	
COC(=O)C12CC(C(=O)NNc3cc(F)cc(OC)c3)(C1)C2	843834072	BILWRMSTGHYXHU-UHFFFAOYSA-N	308.309	1.621	50	20	DDGD	
COCc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2OC)no1	742610704	FNLIGIIXPKRJEZ-UHFFFAOYSA-N	308.246	1.957	50	20	DDGD	
CCN(CC)c1ccc(C=NNC(=O)C(=O)NC2CC2)cc1	744818470	XKJHKNPDJPRZHJ-UHFFFAOYSA-N	302.378	1.262	50	20	DDGD	
O=C(NN=Cc1ccc(Br)s1)N1CCOCC1	745591153	RCGMLFMXTCJKLE-UHFFFAOYSA-N	318.196	1.886	50	20	DDGD	
O=C(CSc1ncnc2ccccc12)NNC(=O)C1CC1	742447287	FLBHEGYQRWBHQY-UHFFFAOYSA-N	302.359	1.279	50	20	DDGD	
O=C(CC1CCCCC1)NCC(=O)NNC(=O)CC(F)(F)F	748837569	BUOQXQGGCIAARA-UHFFFAOYSA-N	323.315	1.173	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1ccc(Br)nc1	842563371	ZCPBSTQOMDSEJX-SCZZXKLOSA-N	312.167	1.719	50	20	DDGD	
CCn1ccc(CC(=O)NNc2ccc(Br)nc2)n1	846635695	ZIDYOTJYNYJQFH-UHFFFAOYSA-N	324.182	1.746	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(Cl)c(F)c1)[C@@H](C)S(C)(=O)=O	841407426	DOBDYLVHANKVLK-JGVFFNPUSA-N	322.789	1.991	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)OCC(F)(F)F)N1[C@H](C)CC[C@H]1C	856024351	RZCZHYBAILJEQQ-HLTSFMKQSA-N	311.304	1.567	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C2(C(=O)NC3CC3)CC2)c1	759321762	IXUGGSLOHCSRSE-UHFFFAOYSA-N	307.325	1.336	50	20	DDGD	
C[C@H](NC(=O)NC[C@]1(C)C[C@@H]1Br)[C@H]1CCOC1	856836210	HOWKBQPHNMRJEL-GMOBBJLQSA-N	305.216	1.884	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2nc3ccc(Cl)cc3s2)N1	856234157	OIMCPEUGNYGSDE-QMMMGPOBSA-N	310.766	1.671	50	20	DDGD	
C[C@@H]1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)CC1(C)C	759922038	LMPVPFMOJFICIV-GFCCVEGCSA-N	321.396	1.955	50	20	DDGD	
CC(C)n1ccnc1C=NNC(=O)COc1ccccc1O	853351709	QWLYFESEAOMFBN-UHFFFAOYSA-N	302.334	1.699	50	20	DDGD	
CCc1nc(C=NNC(=O)Cc2cc(C)[nH]n2)c2ccccn12	755629060	YBSLFXHBKZGUQX-UHFFFAOYSA-N	310.361	1.621	50	20	DDGD	
CC(=O)c1ccc(CC(=O)NNC(=S)N[C@H](C)C2CC2)cc1	855102992	PDBFZQFQLYFNIU-SNVBAGLBSA-N	319.430	1.726	50	20	DDGD	
N#Cc1cccc(CC(=O)NNC(=O)OCC(F)(F)F)c1	856020971	BAKIYCDAWQLHPY-UHFFFAOYSA-N	301.224	1.420	50	20	DDGD	
CCc1ccc(O)c(C(=O)NNC(=S)NCC2CCC2)c1	855089566	WPBWQGKOIBCTEE-UHFFFAOYSA-N	307.419	1.864	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNc1cccc(C(=O)OC)c1C	855623996	XHXDEVOKTTVCEH-NSHDSACASA-N	322.361	1.814	50	20	DDGD	
O=C(NCc1ncccc1F)NNc1cccc([N+](=O)[O-])c1	752687566	RVTSJMWVJSCLHP-UHFFFAOYSA-N	305.269	1.955	50	20	DDGD	
CCN1C[C@H](NC(=O)NNc2c(F)cc(F)cc2F)CC1=O	922721756	CSUDNALGBXUOIV-MRVPVSSYSA-N	316.283	1.351	50	20	DDGD	
O=C(Cn1nnc2c1CCCC2)NNc1ccc(Cl)cn1	856092347	SZSBZUKTODWOJF-UHFFFAOYSA-N	306.757	1.349	50	20	DDGD	
Cc1ccc(C(C)(C)N[C@H](C)C(=O)NNC(=O)CC(C)C)cn1	759909162	GBEZRPZYGXNIIU-CYBMUJFWSA-N	320.437	1.797	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2C[C@H](C)OC(C)(C)C2)c1	858706104	QYFIHTBWUMOREV-JTQLQIEISA-N	311.407	1.910	50	20	DDGD	
CC[C@H](C(=O)NC[C@@]1(C)C[C@@H]1Br)N1CCCC1=O	857399264	VSQJVJAUYPBRMA-GBIKHYSHSA-N	317.227	1.677	50	20	DDGD	
C[C@@]1(CNC(=O)NCCN2CC=CCC2)C[C@@H]1Br	856956293	XNIPVLJYVZHUHQ-AAEUAGOBSA-N	316.243	1.721	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CCn3ccnc3C2)C[C@@H]1Br	857385133	DRMIDZYEEBUZHQ-GBIKHYSHSA-N	312.211	1.735	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2ncc(Cl)cn2)c2nccn21	856912711	QLAIWHUDEWUGBR-APPZFPTMSA-N	307.745	1.659	50	20	DDGD	
O=C(NN=Cc1ccc2ccccc2n1)[C@@H]1CN2CCC[C@@H]2CO1	853387856	QUIFDZWJSUXENA-WBVHZDCISA-N	324.384	1.548	50	20	DDGD	
COc1cc(C=NNC(=O)c2cnn(C)c2)c2c(c1)C[C@@H](C)O2	755730044	HIHJPOCILOGKAR-SNVBAGLBSA-N	314.345	1.516	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1ccnc2cc(Cl)ccc12	856779881	BOGLYFAPMCZAHP-NXEZZACHSA-N	318.764	1.843	50	20	DDGD	
CCc1ccc(O)c(C(=O)NNC(=S)N[C@@H](C)C2CC2)c1	855098879	NIRLJNASWRTQNY-VIFPVBQESA-N	307.419	1.862	50	20	DDGD	
CC(=O)N1CCC(=NNC(=O)[C@@H]2CCO[C@H]2C)c2ccccc21	857211004	KSVFOQGJXJKOTI-WCQYABFASA-N	315.373	1.689	50	20	DDGD	
CN(C[C@H]1CC1(C)C)C(=O)NNC(=O)COCc1ccccc1	852132444	VCISSDVRGPLAIS-CQSZACIVSA-N	319.405	1.922	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(C)c(C(F)(F)F)c1	755574671	YMPIZVVZBIIPLU-UHFFFAOYSA-N	305.256	1.813	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@H](C)c1ccccn1	854284946	CHARDMHCQDJPFF-LLVKDONJSA-N	310.423	1.059	50	20	DDGD	
C[C@@H](NNC(=O)c1ccccc1N1CCOCC1)C(F)(F)F	862310169	ZVAHQWOSKACFEH-SNVBAGLBSA-N	317.311	1.708	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1	763440856	BOASHQGXXGGDMK-UHFFFAOYSA-N	304.133	1.489	50	20	DDGD	
COC1(C=NNC(=O)c2cc([N+](=O)[O-])ccc2O)CCOCC1	761810919	WEQYBBZTUZZKLD-UHFFFAOYSA-N	323.305	1.212	50	20	DDGD	
Cc1noc(COc2ccc(C(=O)NN(C)C3CC3)cn2)n1	862038272	LWXIELMPNYJVJN-UHFFFAOYSA-N	303.322	1.091	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNC(=O)c1ccccc1C	765469643	WRAJOPVQCQTKOB-UHFFFAOYSA-N	306.362	1.735	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H](C)CN2C[C@@H](C)O[C@H](C)C2)cn1	764901805	YWLYWKCHJMCTIR-BPLDGKMQSA-N	318.421	1.585	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCSC1)c1cnn(-c2ccccc2)c1	762176962	CEVTZEHIGKRTSI-LLVKDONJSA-N	316.386	1.386	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cc(-c2ccccc2Cl)on1	768260429	CDCUMWHZMDZNOL-UHFFFAOYSA-N	323.736	1.527	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@]12C(=O)Nc1ccccc12)C1CCCC1	930134882	WQHVRQPCQHLBAN-YVEFUNNKSA-N	313.357	1.234	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)[C@H](C)C2)c(O)c1	763945288	NGNZTENLRQWSJQ-GHMZBOCLSA-N	304.346	1.467	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1N1CCC(=NNC(=O)[C@H]2CCC(=O)N2)CC1	863148857	LODNBFBAVARPJI-YUELXQCFSA-N	320.437	1.412	50	20	DDGD	
COC(=O)NNC(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1	765842783	OMDXGDKTSWGTDR-UHFFFAOYSA-N	323.305	1.195	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(F)c(Cl)c1)N1CCN(C)CC1	863080457	BKVXCROYDUJMEX-SNVBAGLBSA-N	314.792	1.558	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)c1ccc2c(c1)OCO2	763334593	JLVJBMIQFMEQGR-UHFFFAOYSA-N	303.249	1.024	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2cccs2)[nH]n1)c1cncnc1	760825403	RRVWRMDGWMJGBR-UHFFFAOYSA-N	314.330	1.003	50	20	DDGD	
COC(=O)c1cccc(CCNC(=O)NNc2ncccn2)c1	769004084	GUHYLSGLMXVTFX-UHFFFAOYSA-N	315.333	1.132	50	20	DDGD	
COc1ccc(OCC(=O)NNc2nccnc2Cl)cc1C	768066349	UVGLLIZOTZGXEE-UHFFFAOYSA-N	322.752	1.969	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)C)cc[nH]1	862511247	IKLIJMWGXWTMMI-ZDUSSCGKSA-N	321.425	1.377	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=Cc1cscc1C(F)(F)F	863186029	LJVGJJGUTUUUID-UHFFFAOYSA-N	314.310	1.262	50	20	DDGD	
O=C(CCl)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1	1116439266	RDCWCYQFVDMEFN-SECBINFHSA-N	311.687	1.800	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cc(CN(C)C)on1	1116816982	MEYXUWLKUURZTE-UHFFFAOYSA-N	304.354	1.407	50	20	DDGD	
CC(C)c1noc(CCNC(=O)NNC(=O)C2CCCC2)n1	1116769309	IPMGJNUMHVUORS-UHFFFAOYSA-N	309.370	1.256	50	20	DDGD	
COC(OC)C(=O)NNC(=O)Cc1cccc2ccccc12	873884034	BTGTZKPFTTVIKW-UHFFFAOYSA-N	302.330	1.149	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc(OCCC(C)C)cc1	779826207	HTIBLUBFVNRQCE-UHFFFAOYSA-N	321.377	1.918	50	20	DDGD	
CN(NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(N)=O	778416944	LFXOPCJZQRBUIP-UHFFFAOYSA-N	314.301	1.386	50	20	DDGD	
CCn1cc(-c2n[nH]cc2C(=O)NNc2cc(C)ccn2)cn1	779393042	QDLVCUMPEUHEQF-UHFFFAOYSA-N	311.349	1.753	50	20	DDGD	
N#CC1=CCN(CC(=O)Nc2ccccc2C(=O)NC2CC2)CC1	779585848	KCFBLHIAVKNVJE-UHFFFAOYSA-N	324.384	1.673	50	20	DDGD	
Cc1ncc(C(=O)NNc2nc3ccccn3n2)c(C2CC2)n1	1116916010	PKXSBJZRESPVBU-UHFFFAOYSA-N	309.333	1.462	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)C1(N(C)C)CC1	873770307	HBCVWTSGFJGOQT-UHFFFAOYSA-N	308.407	1.107	50	20	DDGD	
CC[C@@H](C)n1nc(C(=O)NNC(=O)c2ccccn2)cc1C	778215499	PLVDFSKTHQGELX-SNVBAGLBSA-N	301.350	1.632	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccccn2)nn1[C@H](C)C1CC1	777275082	PHJIKNGBJUWGMG-LLVKDONJSA-N	313.361	1.632	50	20	DDGD	
COCCC1(C(=O)NNC(=O)c2cc(OC)cc(OC)c2)CC1	772952727	OZKHEKUMBQXFIS-UHFFFAOYSA-N	322.361	1.282	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(C(C)C)[nH]n1	772019567	XKYFVXYGYUGROX-SNVBAGLBSA-N	324.381	1.272	50	20	DDGD	
CC[C@H]1CC(=NNC(=O)CCNC(=O)OC(C)(C)C)CCO1	779806283	LDIVUYSSLFQTTK-LBPRGKRZSA-N	313.398	1.962	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)Nc1ccncn1	770767864	HGZTVKNQBFANJN-UHFFFAOYSA-N	309.127	1.783	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1ccnc(F)c1	773638215	KWSLLZLAGDNMPG-UHFFFAOYSA-N	307.256	1.903	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1ccc(SC)c(F)c1	779816445	AMNWNNFINAESEU-UHFFFAOYSA-N	313.354	1.744	50	20	DDGD	
CO[C@H](C(=O)NNc1cccc(S(C)(=O)=O)c1)C(C)C	771449324	ZAPZDWSOTBSVIZ-LBPRGKRZSA-N	300.380	1.204	50	20	DDGD	
COC[C@H](Cc1ccccc1)NS(=O)(=O)CCCCl	881961210	WDSOHCSBZINFIF-ZDUSSCGKSA-N	305.827	1.792	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc(N(C)C)c(F)c1	880922638	MEEUTAJYFAAPEH-MWLCHTKSSA-N	324.356	1.469	50	20	DDGD	
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NNc1ccc(C#N)cn1	888559580	OXQULLHJZHOWRA-MFKMUULPSA-N	300.366	1.062	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(O)nc(C(C)C)c1	772238993	NUCCKLJKZVLWHD-VIFPVBQESA-N	323.349	1.013	50	20	DDGD	
Cc1cc(=NNC(=O)Nc2c3c(nn2C)CCCC3)cc[nH]1	880623259	TVMLOEFXTHKUNN-UHFFFAOYSA-N	300.366	1.573	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2CCC[C@@H]2OC)ccc1F	1120655473	FIVMAUKNQCBODM-MFKMUULPSA-N	310.325	1.871	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C2(F)CCOCC2)ccc1C	880078157	GGITWBQPPBZUTH-UHFFFAOYSA-N	310.325	1.743	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1c(C)cccc1C	887145867	VISDZOIJGIXJBO-UHFFFAOYSA-N	301.346	1.193	50	20	DDGD	
C[C@](C#N)(NC(=O)COC(=O)/C(C#N)=C\c1ccccc1)C1CC1	785350482	IGZIITIXIGJBJE-GIIHOQTISA-N	323.352	1.945	50	20	DDGD	
O=S(=O)(CCCCl)NCc1ncn(-c2ccccc2)n1	882224702	OMSXWYPZFCWVTO-UHFFFAOYSA-N	314.798	1.316	50	20	DDGD	
Cc1cc([N+](=O)[O-])cc(C(=O)NNC(=O)c2cccn2C)c1F	788267044	RSYWBWGNHIDYMZ-UHFFFAOYSA-N	320.280	1.456	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(N(C)C(=O)CC)cc1	881046722	NNYYSOFQIUHRTF-UHFFFAOYSA-N	321.381	1.757	50	20	DDGD	
C=C/C=C/CCNC(=O)NNC(=O)Cc1ccccc1OC	883826049	ZJQGRAZWYNPNAQ-SNAWJCMRSA-N	303.362	1.700	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn(C)c2)c(Cl)c1C	783050390	KZXYRELPQKLBFM-UHFFFAOYSA-N	306.753	1.765	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1cc(F)ccc1O	788178505	PXKGVVRJHOBGME-UHFFFAOYSA-N	314.280	1.264	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ncncc1Cl)N1CCCC1=O	781820007	MJBHBVHNFAVDSI-LLVKDONJSA-N	311.773	1.220	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NC[C@H](O)c1cccnc1	787454447	PIXNFUYTKRUVMH-SBNBMVPLSA-N	309.325	1.544	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2	785409392	AHQBRVNCORIIJG-FNCVBFRFSA-N	309.288	1.083	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)c2cc(-c3ccccc3)on2)CO1	784144241	ILQMERVZGICTOQ-JQWIXIFHSA-N	315.329	1.528	50	20	DDGD	
CCc1cncc(C(=O)NNC(=O)c2cccc(N(C)C)c2)c1	789874712	JXAJMZYTRJHWAO-UHFFFAOYSA-N	312.373	1.785	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccncc2)c(-c2ccoc2)n1	789867745	JFJSDEMXLBZAOH-UHFFFAOYSA-N	311.301	1.150	50	20	DDGD	
O=C(NCc1ccccc1[N+](=O)[O-])NNc1ncncc1Cl	780964790	VJCFDNPFPANBTH-UHFFFAOYSA-N	322.712	1.865	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=S)NCCc2cccs2)CO1	784145736	QEMHLACOXAHOQQ-ZJUUUORDSA-N	313.448	1.211	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccnn2CC(F)F)cc1	789915311	DAPWVNSEQMWRLB-UHFFFAOYSA-N	319.271	1.095	50	20	DDGD	
CS(=O)(=O)Cc1ccc(NC(=O)NN=c2cc[nH]cc2)cc1	782032658	FTKNIJGEIUONNB-UHFFFAOYSA-N	320.374	1.197	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@H]1CC12CCSCC2	899998555	SGDLENUXZCMJOY-SECBINFHSA-N	301.481	1.814	50	20	DDGD	
Cc1c[nH]nc1C(=O)NNc1nc(-c2ccccn2)nc(C)c1C	799836549	RHWMQYJWHGYVBG-UHFFFAOYSA-N	323.360	1.944	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)[C@H]1CCC(F)(F)C1	795086119	PORJQSOAGHOFLE-VIFPVBQESA-N	314.288	1.354	50	20	DDGD	
C=C(CBr)COC(=O)[C@@H]1CC(=O)N(CC(C)C)C1	795424706	HYYHFOLMCARGDR-LLVKDONJSA-N	318.211	1.985	50	20	DDGD	
C=C(CBr)COC(=O)[C@H](C)N1C(=O)CCC1=O	795445183	LCAONIBYBFIGJA-QMMMGPOBSA-N	304.140	1.018	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(C)n2)cc1	794076118	MZQLYVMYTIXQIC-UHFFFAOYSA-N	312.329	1.423	50	20	DDGD	
COc1ccccc1NCC(=O)NN=Cc1ncc(Cl)n1C	799467221	HKLRSSWYNBZANY-UHFFFAOYSA-N	321.768	1.644	50	20	DDGD	
Cn1nccc1[C@@H]1CCCC(=NNC(=O)C(=O)N2CCCC2)C1	790296775	ZNEYZEACELZABA-GFCCVEGCSA-N	317.393	1.172	50	20	DDGD	
O=C(Cn1ccc2ccccc2c1=O)NNc1ncc(F)cn1	790905737	RMIANKOGEBIYBI-UHFFFAOYSA-N	313.292	1.074	50	20	DDGD	
C=C(CBr)COC(=O)Cc1c(C)nc(C)nc1O	795441825	TZXYVFSEXGGBMY-UHFFFAOYSA-N	315.167	1.836	50	20	DDGD	
CN(NC(=O)c1nc(Br)sc1C1CC1)C(N)=O	798301611	FHMMQYJLNFYVTF-UHFFFAOYSA-N	319.184	1.438	50	20	DDGD	
COCCCNC(=O)NN=C1CCC[C@@H](c2ccnn2C)C1	790287965	WPUKTLPCXPKBGI-GFCCVEGCSA-N	307.398	1.769	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CCN2CCOCC2)cc1	1317702636	PQHZVXPRKKHPJJ-UHFFFAOYSA-N	322.434	1.035	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)[C@@H]1CCCN1C(=O)C1CC1	1329541539	NTMIGKPKLMYBQH-AWEZNQCLSA-N	305.353	1.978	50	20	DDGD	
CCSc1cccc(F)c1NC(=O)NNC(=O)CCO	1323935099	YEVCIRBAUOHGKK-UHFFFAOYSA-N	301.343	1.473	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCNC(=O)CC(C)C)cc1	1329397394	KVGHGULTLYOMLX-UHFFFAOYSA-N	321.377	1.009	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H](C)[C@H]2CCCOC2)cc1	1320789282	MZKAFCYJAQQJQZ-YPMHNXCESA-N	321.377	1.454	50	20	DDGD	
NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)CCl)cc2)C1	1253963021	ITBGJTSDPZAJCL-LBPRGKRZSA-N	309.797	1.561	50	20	DDGD	
CCN(CCC(F)(F)F)C(=O)NNC(=O)c1cccnn1	1330857742	ZCLGVWSHWIMCNE-UHFFFAOYSA-N	305.260	1.105	50	20	DDGD	
CCOc1cc(C(=O)NC[C@]2(C)C[C@H]2Br)[nH]n1	1334841314	MUWBPONTSYHTFC-KCJUWKMLSA-N	302.172	1.712	50	20	DDGD	
O=C(C[C@H]1CCS(=O)(=O)C1)NNc1cc(Cl)ccn1	1254288929	SGVHFHKFEFUJJQ-MRVPVSSYSA-N	303.771	1.003	50	20	DDGD	
Cc1nc(Cl)ccc1C(=O)NNc1nncc(N)c1Cl	1335414305	WNNMVXXYOHJPPD-UHFFFAOYSA-N	313.148	1.826	50	20	DDGD	
C[C@@H]1C[C@H]2CC[C@H](C(=O)NNC(=O)NC3CCCCC3)CN2C1	1348423330	AVRZKGRAHVRISA-VNHYZAJKSA-N	322.453	1.770	50	20	DDGD	
O=C(NN=Cc1cccc2ccoc12)N[C@@H]1CCS(=O)(=O)C1	1261277622	GDCBGZAUAGBPSO-GFCCVEGCSA-N	321.358	1.253	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=S)NC(C)C)c1F	1345353751	BEXLSWZDMQUHIP-UHFFFAOYSA-N	313.398	1.671	50	20	DDGD	
CC[C@@H](C)n1nccc1C(=O)NNC(=O)c1ccccc1OC	1517193070	HACRGKRQHHQKDP-LLVKDONJSA-N	316.361	1.938	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)c1ccc(CO)nc1	1601559807	BAMMMQDSBPXPNJ-UHFFFAOYSA-N	305.265	1.168	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)CCCn2ccc(C(=O)O)n2)c1	1607790816	GCYLWCMYJDWHKW-UHFFFAOYSA-N	320.324	1.952	50	20	DDGD	
O=C(Cc1cccc(C(=O)O)c1)NNc1nc2ccccc2[nH]1	1608364529	RGKIOAAKDXJKRI-UHFFFAOYSA-N	310.313	1.947	50	20	DDGD	
O=C(Cc1ccc(C(=O)O)nc1)NNc1cccc(F)c1F	1608361679	JNPUTLAJRBBHLG-UHFFFAOYSA-N	307.256	1.744	50	20	DDGD	
O=C(NNc1ccc(F)cc1)C(=O)Nc1ccc(C(=O)O)cc1	1601558837	DOPXBYDMVMPWPI-UHFFFAOYSA-N	317.276	1.606	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1604102052	XTLQEMYYKDSRQS-KOLCDFICSA-N	316.369	1.467	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@H]1CCC(=O)[C@@H](C)C1	1607140764	ZJLQJVAHQPUFHL-UWVGGRQHSA-N	320.345	1.842	50	20	DDGD	
CCc1ncncc1C(=O)NNc1ccc(C)c(C(=O)O)c1	1605863836	QGROQUVFGJQBLK-UHFFFAOYSA-N	300.318	1.803	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)c1cc(C(=O)O)no1	1601270483	LKRLWYPYMBRRGJ-UHFFFAOYSA-N	317.301	1.157	50	20	DDGD	
Cc1c(NC(=O)NNc2ccc(F)c(C(=O)O)c2)nnn1C	1600044404	LDUBAMOOVPYTSL-UHFFFAOYSA-N	308.273	1.109	50	20	DDGD	
CCc1[nH]c(C(=O)NNC(=O)CC2CCCC2)c(C)c1C(=O)O	1610054271	JMKITIOCOPINOS-UHFFFAOYSA-N	321.377	1.925	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1cc(C(=O)O)co1	1610659568	FJEIOLUHCMTKLY-UHFFFAOYSA-N	318.285	1.077	50	20	DDGD	
CC(C)c1ccc(NNC(=O)[C@H](C)N2CCNCC2=O)cc1	1575859009	XCUXJAHVLLKLHU-LBPRGKRZSA-N	304.394	1.073	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H](N)c2c(F)cccc2F)n1	1579589787	COTDJWRLMOQRHD-LBPRGKRZSA-N	307.304	1.515	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2ccc(Br)nc2)CCN1	1579471234	OYVYAXNWUAPNJR-RKDXNWHRSA-N	313.199	1.675	50	20	DDGD	
CCN[C@@H](C)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	1577806357	BNNPYNQOMLPXLI-JTQLQIEISA-N	309.435	1.776	50	20	DDGD	
NCc1ccccc1C(=O)NNC(=O)Cc1c[nH]c2ccccc12	1580343457	ACOIHXRKHVPAEP-UHFFFAOYSA-N	322.368	1.630	50	20	DDGD	
N[C@@H]1CCC[C@H](C(=O)NNc2cncc(Br)c2)C1	1580378326	HXIXOMOQLQAVLO-WCBMZHEXSA-N	313.199	1.805	50	20	DDGD	
C=C(CCC(=O)O)C(=O)NNC(=O)c1c[nH]c2ccccc12	1588630497	NYVMIDZTQZYEBJ-UHFFFAOYSA-N	301.302	1.350	50	20	DDGD	
COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)C2(C)CC2)C1	1842587273	UQODDBYXDJUBNP-NSHDSACASA-N	314.813	1.244	50	20	DDGD	
CCCCCNC(=O)/C(C#N)=C/c1nc(-c2nn[nH]n2)cs1	1590598376	KMLOYVYKKUNDFS-RMKNXTFCSA-N	317.378	1.537	50	20	DDGD	
O=C(O)[C@]1(C(=O)NNc2ccccc2C(F)(F)F)CCCO1	1594867274	JYHAWQNIDASZBF-GFCCVEGCSA-N	318.251	1.782	50	20	DDGD	
CCCN1CCC[C@@H]1C(=O)NNc1ccc(C(=O)O)cc1OC	1595908441	VHSJSXGMHIGHAE-CYBMUJFWSA-N	321.377	1.711	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@@H]1C[C@H](C(=O)O)c2ccccc21	1596509639	SUESSCQTTRFCPR-UCFRMXPJSA-N	300.314	1.860	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1ccc(/C=C\C(=O)O)o1	1776903983	YTLBGYBCYWBNCE-CEHXRRPISA-N	318.329	1.827	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl)c1cc[nH]n1	1796804657	NBLDRFVUQGKPEC-DKIAZLNASA-N	314.748	1.196	50	20	DDGD	
CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Br)C2	1795489008	FICMVVWPLDQJAM-PKIKSRDPSA-N	321.190	1.725	50	20	DDGD	
O=C(NNC(=O)C(=O)NC1CC1)Nc1cccc2ccccc12	11007515	SMZXTBGCBTXVCT-UHFFFAOYSA-N	312.329	1.271	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccc(F)cc1	17581120	CCKITUHTAMLXBT-UHFFFAOYSA-N	312.304	1.857	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)[C@H]1COc2ccccc21	161833101	OSWDOTFPWINDPK-NSHDSACASA-N	314.370	1.575	50	20	DDGD	
CCc1nccn1CC(=O)NNC(=O)c1ccccc1Cl	158638948	WVEQJAPOMPVKAT-UHFFFAOYSA-N	306.753	1.560	50	20	DDGD	
O=S(=O)(CBr)N1CC=C(C(F)(F)F)CC1	163938191	GDFRJYCYZKHEAE-UHFFFAOYSA-N	308.119	1.863	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NCCC1CCC1	151974873	CGZXLZHCDUWDIK-UHFFFAOYSA-N	315.377	1.777	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CCC[C@@](C)(O)C2)cc(C#N)n1C	152547757	QZJRKZHKTAQOPG-UBWHZCOUSA-N	312.373	1.486	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)[nH]n1	153067401	OHYSYZTVZXKIPR-VXGBXAGGSA-N	302.309	1.422	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)CCc2cccc(F)c2)[nH]n1	153369917	IVQKVKZIYUWSNH-SNVBAGLBSA-N	318.352	1.887	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1cnn(-c2ccccc2)c1	153612160	IFAYGLLYYUMQTJ-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C2(C)CC2)cc1	157535805	DWQQPZQJXOXGDC-NSHDSACASA-N	306.362	1.800	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H]2CCC[C@H](N(C)C)C2)nc1	157639262	MRUDYTFLNDOAEX-RYUDHWBXSA-N	307.398	1.589	50	20	DDGD	
Cc1nccn1C[C@H](C)CNC(=O)NNC(=O)c1ccccc1	157444762	OBYZXOKFNPKVAG-GFCCVEGCSA-N	315.377	1.472	50	20	DDGD	
CCc1sc(C(=O)NNc2ccc(C(N)=O)nn2)cc1C	154335313	WDLOYMJAXNMHHU-UHFFFAOYSA-N	305.363	1.265	50	20	DDGD	
CC[C@H](NS(=O)(=O)c1ccc(CCCl)cc1)C(=O)OC	312365134	KHDWUQDLMWPINA-LBPRGKRZSA-N	319.810	1.698	50	20	DDGD	
Cc1noc(C)c1S(=O)(=O)NNC(=O)c1ccccc1F	7428914	ACILZNUHDIIBPP-UHFFFAOYSA-N	313.310	1.054	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2cccnc2)cc1F	103424580	LYKWJBKFEHUXPD-UHFFFAOYSA-N	303.293	1.233	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H](C)CN2CCC[C@H](C)C2)n1	56787357	NWTCVEXGVWMMOE-NWDGAFQWSA-N	322.413	1.232	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc3ncccc23)n(C)n1	106811751	LEYXYAOBCCRKEZ-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
CCCC(=O)N1CCC[C@@H](C(=O)NNc2cc(C)ncn2)C1	172280400	IMUUXYQHEQSKIR-GFCCVEGCSA-N	305.382	1.267	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1	119149387	KDERFSMYBJLPFX-UHFFFAOYSA-N	318.264	1.816	50	20	DDGD	
C[C@@H]1CCCN(C[C@@H](C)NC(=O)NNC(=O)OC(C)(C)C)C1	56785712	SXVAVZUUNJSHRP-VXGBXAGGSA-N	314.430	1.846	50	20	DDGD	
N#Cc1ccc(CNC(=O)NNC(=O)Cc2cccnc2)cc1	103510447	WDXCECYEQSTVAS-UHFFFAOYSA-N	309.329	1.026	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cccnc1N1CCCC1	178257519	LGXABOJIDRQRLY-UHFFFAOYSA-N	306.366	1.851	50	20	DDGD	
Cn1cc(CC(=O)NNC(=O)Cc2cccnc2)c2ccccc21	103422837	ULSGCOLLNYPDNI-UHFFFAOYSA-N	322.368	1.506	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)Cc2ccc(C)nc2)cc1	102890721	XKHCFQDLKRTORH-UHFFFAOYSA-N	312.373	1.500	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C#Cc2ccccc2)cc1	175926366	OBWXWXAWOWFUEV-UHFFFAOYSA-N	308.337	1.573	50	20	DDGD	
CC1(C)CC(=O)C(=CNNC(=O)c2ccc(C#N)cc2)C(=O)C1	57771490	IZNAOXMFJMHEAT-UHFFFAOYSA-N	311.341	1.635	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNC(=O)c2cccnc2)s1	27766415	IJGHDDMCMQZNEA-UHFFFAOYSA-N	317.370	1.876	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)C(F)(F)c1ccccc1	173947689	JFVPWOAZTCAFFN-UHFFFAOYSA-N	304.260	1.588	50	20	DDGD	
CCCN(CC(F)F)C(=O)NNC(=O)Cc1cccnc1	103518545	PGDBDIODZIBGMM-UHFFFAOYSA-N	300.309	1.342	50	20	DDGD	
CCNC(=O)NNC(=O)c1cn(C)nc1-c1ccccc1Cl	108787432	FVBJAAHFEJDNTK-UHFFFAOYSA-N	321.768	1.704	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C1C2CC3CC(C2)CC1C3	110758822	CKZULRONBQMDMT-UHFFFAOYSA-N	302.378	1.551	50	20	DDGD	
CCN(CC)CCNC(=O)NNC(=O)Cc1ccccc1F	66975808	RZUWISROFVSBBN-UHFFFAOYSA-N	310.373	1.040	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCCOCCc1ccccc1	119929317	QREZIWZNRXHBAX-UHFFFAOYSA-N	321.446	1.707	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@H](C)C2CC2)cc1OC	175203985	PVBQQAIJFZFKIZ-JTQLQIEISA-N	306.362	1.901	50	20	DDGD	
CO[C@H]1CCC[C@@H]1C(=O)NNC(=O)Nc1cc(F)cc(F)c1	1358230223	ZVEJZZTVXIFYFP-RYUDHWBXSA-N	313.304	1.933	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(Br)ccc1F	111772095	IABDQHQLTLNAIA-UHFFFAOYSA-N	306.091	1.981	50	20	DDGD	
Cc1cccc(C)c1NCC(=O)NNc1ncnc2nc[nH]c12	175366766	USTQXARBMMSZIF-UHFFFAOYSA-N	311.349	1.525	50	20	DDGD	
CCc1ccc(NC(=S)NNC(=O)NCCCOC)cc1	64937330	LAEYHBWZMJNSCY-UHFFFAOYSA-N	310.423	1.786	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C	63265743	XCKODDKKEOTSFT-JTQLQIEISA-N	314.386	1.125	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)cn1	24305497	TUSMBUKVAKMZKZ-UHFFFAOYSA-N	319.748	1.747	50	20	DDGD	
CC(C)(C)C[C@H](O)CNC(=O)NNC(=O)c1ccc(C#N)cc1	172287863	TZUGDNRCHXPNGF-ZDUSSCGKSA-N	318.377	1.299	50	20	DDGD	
CC(=O)N(C)CC(=O)NNc1ccc([N+](=O)[O-])cc1Cl	125082741	FVVUGJUVBSPLCS-UHFFFAOYSA-N	300.702	1.170	50	20	DDGD	
Cc1c(CCC(=O)NNC(=O)Cc2ccc(F)cc2)cnn1C	123067011	NARUWXYRQXYASK-UHFFFAOYSA-N	318.352	1.190	50	20	DDGD	
CN(C)c1ccc(CNS(=O)(=O)CBr)cc1	126656493	NZICIOBNIAGWEL-UHFFFAOYSA-N	307.213	1.524	50	20	DDGD	
O=C(NNc1ccc(Br)c(F)c1)C(=O)NC1CC1	184282518	CBNYVCPWJJCYJM-UHFFFAOYSA-N	316.130	1.310	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccn(C2CCCC2)n1	124278919	GEDVFQFXMWAXSZ-UHFFFAOYSA-N	301.350	1.412	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H](C)CN2CCCCC2)n1	79297293	QSLSTHJQMROYQG-ZDUSSCGKSA-N	306.414	1.594	50	20	DDGD	
CC[C@@H](CO)NS(=O)(=O)c1ccc(CCCCl)cc1	188619673	AJSWCBYXMROAJQ-LBPRGKRZSA-N	305.827	1.907	50	20	DDGD	
CCCn1cc(NC(=O)NNC(=O)Cc2ccc(F)cc2)cn1	186222957	PXPKXVXBTLZWMW-UHFFFAOYSA-N	319.340	1.828	50	20	DDGD	
C[C@H]1CCCN(CCCCNC(=O)NNC(=O)C(C)(C)C)C1	128777710	WCKBGVLHBYZNFV-ZDUSSCGKSA-N	312.458	1.875	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNc1nnc(C2CC2)s1	184465613	MMYLCDVKPASRBB-UHFFFAOYSA-N	314.374	1.749	50	20	DDGD	
CCC1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)CC1	77212111	ORDHIZPSACYOFK-UHFFFAOYSA-N	307.369	1.709	50	20	DDGD	
CN(CCCNC(=O)NNC(=O)c1ccc[nH]1)c1ccccc1	126950556	FJFOSFHWDSJUAF-UHFFFAOYSA-N	315.377	1.485	50	20	DDGD	
O=C(C[C@H]1COC(=O)C1)NNc1ccc([N+](=O)[O-])cc1Cl	125841053	JRVXCRIAYLFQMX-SSDOTTSWSA-N	313.697	1.645	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(C(C)C)cc1	77164150	FCVAFIYZCISHEZ-UHFFFAOYSA-N	319.405	1.876	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)CCn2ccnc2)c1	72655531	OOVGSXMSPHVISO-UHFFFAOYSA-N	316.361	1.116	50	20	DDGD	
Cc1ccc(CC(=O)NNc2nc3ccccc3c(=O)[nH]2)cn1	137155461	NBUMTYQTVAJKEL-UHFFFAOYSA-N	309.329	1.312	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)c3cnns3)cc2C1	47816903	AOGJVNOPICVSRC-SSDOTTSWSA-N	322.415	1.799	50	20	DDGD	
CCCCC[C@H](C)NC(=O)NNC(=O)Cn1nc(C)cc1C	42993785	MCVDRXPGSQISAY-NSHDSACASA-N	309.414	1.799	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@](C)(OC)c1ccccc1F	192381932	IKVOQSZZLOFHDH-HNNXBMFYSA-N	320.324	1.629	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)c1cc(C2CC2)[nH]n1	44848221	NFWKEZSDFZYMIX-UHFFFAOYSA-N	318.308	1.266	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccc2ccccc2n1	46916698	UJMNJAYEIMZGJZ-UHFFFAOYSA-N	312.251	1.741	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)NCc2ccco2)c1C	139005121	GWFJJGMMRFDXNP-UHFFFAOYSA-N	318.333	1.571	50	20	DDGD	
COC(=O)C1(C(=O)NNc2ccccc2OC(F)(F)F)CC1	190198960	IJDLFVLHJSQNHQ-UHFFFAOYSA-N	318.251	1.982	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@H]2CCC[C@@H](C)CC2)n1	190925805	IVHBMUQRJMMBON-RISCZKNCSA-N	321.425	1.799	50	20	DDGD	
O=C(C#Cc1ccccc1)NNc1nc(-c2ccncc2)no1	81650087	ADPLGRXLKSGVBO-UHFFFAOYSA-N	305.297	1.626	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2nc(C)c(C)s2)n1	147154512	FMWISWNJVAXXCQ-UHFFFAOYSA-N	322.394	1.426	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNc1cc(C#N)cc(Cl)n1	93546787	ZAFFATCOPCOIOH-NSHDSACASA-N	307.785	1.924	50	20	DDGD	
CSCCNC(=S)NNC(=O)COc1ccc(C)cc1	269813650	HGUXONKAHBAPSY-UHFFFAOYSA-N	313.448	1.232	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccn(C)c2)c(C)c1	268827637	KIXAPEDTWKYRQN-UHFFFAOYSA-N	300.362	1.515	50	20	DDGD	
CN(CCNC(=O)NNC(=O)c1cccc(Cl)c1)C1CC1	264883359	RIQIFYGDGFHSPD-UHFFFAOYSA-N	310.785	1.378	50	20	DDGD	
Cn1c(NNC(=O)COC2CCCC2)nc2ccccc2c1=O	264945299	ITKHNXWWQOKUCZ-UHFFFAOYSA-N	316.361	1.336	50	20	DDGD	
CO[C@H](C)CCNC(=O)NNC(=O)COc1cccc(C)c1	263687248	BIJHYIIBCFEXTF-GFCCVEGCSA-N	309.366	1.129	50	20	DDGD	
CCOC(=O)CCCNC(=O)NNc1ccc(Cl)nc1	266692823	UQHGUVLITCMCNL-UHFFFAOYSA-N	300.746	1.704	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1csc(-c2ccoc2)n1	272705274	VVNCARXNPXFLIN-UHFFFAOYSA-N	308.363	1.638	50	20	DDGD	
CN1C[C@@H](C(=O)NNc2cc(Cl)cc(Cl)c2)CC1=O	276751123	DVTFPZLUUZTRCC-ZETCQYMHSA-N	302.161	1.915	50	20	DDGD	
C[C@@H](CCN1CCN(C)CC1)NC(=O)NN(C)c1ccccc1	274569370	LMBKEXXOSDPLEP-HNNXBMFYSA-N	319.453	1.363	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)c1)NO[C@@H]1CCCCO1	275116800	MHZPNQKVZPVVIZ-LLVKDONJSA-N	313.741	1.742	50	20	DDGD	
COc1ccc(NNC(=O)CS(=O)(=O)C(C)(C)C)cc1	271071728	LVXJJZAFERZOEI-UHFFFAOYSA-N	300.380	1.352	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNc1nnc(-c2ccccn2)s1	276299587	AAUGBYJFHMAIOT-UHFFFAOYSA-N	321.362	1.385	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)n1	280837833	KHXBJVSFYRVMSI-CWRNSKLLSA-N	322.368	1.672	50	20	DDGD	
O=C(C[C@@H](O)c1cccc(F)c1)NNC(=O)NCC(F)(F)F	281181860	JNFSSMQSOREHSY-SECBINFHSA-N	323.246	1.142	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)[C@H]1CCCCS1	286554158	HULSEJWSAVQUTC-SNVBAGLBSA-N	304.379	1.391	50	20	DDGD	
COc1nccc(NC(=O)NNc2nccnc2C2CCC2)n1	286974568	BOYAYOVBUJQNND-UHFFFAOYSA-N	315.337	1.691	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cnn(CCF)c2)n1	287638144	ABGWZUYBYJQYIG-UHFFFAOYSA-N	321.360	1.246	50	20	DDGD	
CCC[C@H](CC)NC(=O)NNc1ccc(-n2ccnc2)nn1	288257778	TWPRLMFENCOCQR-NSHDSACASA-N	303.370	1.867	50	20	DDGD	
COC(=O)NNC(=O)c1cccc(NC(=O)OC(C)(C)C)n1	280860454	BMZXVCJUZZQWHW-UHFFFAOYSA-N	310.310	1.429	50	20	DDGD	
O=C(NNC(=O)C1CCN(C2CC2)CC1)Nc1ccccc1	283793971	UPARPFFAOKEJSH-UHFFFAOYSA-N	302.378	1.714	50	20	DDGD	
C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)NNc1cccc(F)n1	287776912	KFLVSWSGLJCTEC-WDEREUQCSA-N	323.372	1.636	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)NNc1nccnc1C1CCC1	286889632	GAUPGHAHTHCQIX-ZDUSSCGKSA-N	317.393	1.588	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNC(=O)Nc1ccccc1)C1CCCC1	283751295	KUUQMOGIQHXRGZ-AWEZNQCLSA-N	318.377	1.534	50	20	DDGD	
CNc1nc(C)cc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)n1	803430180	AIUJEVUGKKLKSM-UHFFFAOYSA-N	324.344	1.425	50	20	DDGD	
COCCN(C)NC(=O)C1(c2ccc(C)cc2)CCOCC1	294594500	ZMEPXWUZGWPUTH-UHFFFAOYSA-N	306.406	1.653	50	20	DDGD	
CC(C)(NC(=O)C(F)(F)F)C(=O)NNc1cccc(Cl)n1	293766042	UTMSYOGXAWAZFV-UHFFFAOYSA-N	324.690	1.635	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)NCc2ccc(Cl)cn2)O1	297284905	LIWDJGYUOXIMTE-KWQFWETISA-N	312.757	1.133	50	20	DDGD	
CCn1c(NNC(=O)CSC2CC2)nc2ccccc2c1=O	294544210	SSRHVGVWQADKQB-UHFFFAOYSA-N	318.402	1.755	50	20	DDGD	
CNC(=O)NNC(=O)c1nn(-c2cccc(C(C)C)c2)cc1O	294417055	DGYDFIGFISXZMX-UHFFFAOYSA-N	317.349	1.275	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1CC(=O)N(C2CCC(C)CC2)C1	808073350	IZIVZEUQLUWQDO-MOKVOYLWSA-N	311.426	1.023	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccc(Cl)c2ncccc12	801613611	IQFORXKXLKOINW-UHFFFAOYSA-N	306.753	1.211	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cc2n(n1)CCO2)c1ccccc1	290712230	GTFUIQOLRXGBQJ-LBPRGKRZSA-N	314.345	1.230	50	20	DDGD	
COCc1ccccc1NC(=O)C(=O)NNc1ncccc1F	807301542	JDUZGWLNFXQDQE-UHFFFAOYSA-N	318.308	1.449	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncc(F)cc1F)[C@@H]1CCCCO1	297225731	HUDZPUBGKZWFSP-KCJUWKMLSA-N	300.309	1.944	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)OC[C@H]2CCCO2)s1	299376353	NVZBNWPCRPUWJR-WDEREUQCSA-N	312.391	1.402	50	20	DDGD	
O=C(CCc1ccccc1OC(F)(F)F)NNc1nnc[nH]1	293910827	LTJDEDUGMDPBFC-UHFFFAOYSA-N	315.255	1.779	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cnn2c1CCC2)c1ccccc1	294647518	PJLWRXSUNPIFAZ-CYBMUJFWSA-N	312.373	1.784	50	20	DDGD	
COc1ccc2c(c1)[C@H](C(=O)NNC(=O)[C@H]1CCCCO1)CC2	295665022	WINZIHUNMUEIAI-UKRRQHHQSA-N	318.373	1.442	50	20	DDGD	
Cn1ncc(Br)c1C(=O)NCC(Cl)Cl	296948736	CDZITFHAALUWQF-UHFFFAOYSA-N	300.971	1.716	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc21	807966810	QYTJPXWBPOHVCU-GHMZBOCLSA-N	321.402	1.384	50	20	DDGD	
COc1cccc([S@](=O)CC(=O)N2CC=C(C#N)CC2)c1	819447467	YWVWUTSGZQYHGV-OAQYLSRUSA-N	304.371	1.485	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)[C@@H]3CC4CCC3CC4)nc21	815606928	KQCPCVUTWVULRX-UDNWOFFPSA-N	316.365	1.338	50	20	DDGD	
O=C(NCCOc1ccc(F)cc1)NNc1ncncc1F	814276008	PKLWVYPFNLTARP-UHFFFAOYSA-N	309.276	1.460	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2c[nH]c(C(=O)O)c2)c2ccccc21	814776903	HOFOMPQPIUBBGR-UHFFFAOYSA-N	310.313	1.969	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1cccc(CN(C)C)c1	814760715	BWBQKTLGLWVKCL-UHFFFAOYSA-N	316.405	1.211	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@]2(C)CC2(F)F)nc1C	817560457	HGDASIUJBIMMCL-LBPRGKRZSA-N	314.292	1.450	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccc2c(c1)CCCC2=O	815410684	NFLWIGNZCONCSC-UHFFFAOYSA-N	323.352	1.604	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccnnc2)cnn1CCC(C)C	817694009	YUSCTPFTOKYQAQ-UHFFFAOYSA-N	316.365	1.102	50	20	DDGD	
CCC1CCC2(CC1)NC(=O)N(CC(=O)NN(C)C1CC1)C2=O	819643411	AQWMQWCZBPOLSB-UHFFFAOYSA-N	322.409	1.003	50	20	DDGD	
COC(=O)Cc1occc1C(=O)NNc1cccc(OC)n1	810971888	HIZFUKPACPROHP-UHFFFAOYSA-N	305.290	1.156	50	20	DDGD	
COc1ccc(NNC(=O)c2cnnn2C)c(C(F)(F)F)c1	816702814	CZZWXVXBFNFFAQ-UHFFFAOYSA-N	315.255	1.599	50	20	DDGD	
C[C@H]1CN(Cc2ccccc2)CC1=NNC(=O)Cc1cc[nH]n1	814955982	GJFGEGBMPRUODN-ZDUSSCGKSA-N	311.389	1.576	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1nccn1-c1ccccc1	815001635	RPTQRZCQGVRGGY-UHFFFAOYSA-N	306.329	1.845	50	20	DDGD	
Cn1c2c(ccc1=O)C(=NNC(=O)CNc1ccccc1)CCC2	814711085	CAIYDLLMQPYIAP-UHFFFAOYSA-N	324.384	1.654	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1ccc(O)c(C)c1	728226524	RYSQRPCMKVCTGR-ZDUSSCGKSA-N	319.405	1.509	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2nc[nH]c2C(F)(F)F)n1	829481622	CGWXFMWYPMNGMW-UHFFFAOYSA-N	316.243	1.292	50	20	DDGD	
CNC(=O)NNC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1	494588223	CGRRVISWGOLUHC-UHFFFAOYSA-N	322.365	1.536	50	20	DDGD	
CC(Cc1cccs1)=NNC(=O)[C@@H]1CCS(=O)(=O)C1	729635472	VXFODMXLMPKDCQ-SNVBAGLBSA-N	300.405	1.217	50	20	DDGD	
Cc1cccn2cc(CC(=O)NNC(=O)NC3CCCC3)nc12	726770952	POAVAULGVYCRBI-UHFFFAOYSA-N	315.377	1.458	50	20	DDGD	
CO[C@@H](C)CNC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	821469829	QSHPRBUDLXYYGY-WCQYABFASA-N	323.393	1.436	50	20	DDGD	
CCNC(=O)N(C)N=C[C@@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2	496002878	DDAKPCQSJQXZQT-XHDPSFHLSA-N	310.398	1.891	50	20	DDGD	
CC(C)[C@@H]1C[C@H](CC(=O)Nc2cccc(B(O)O)c2)CCO1	584913868	KVOXKDAVCDWEGA-DOMZBBRYSA-N	305.183	1.146	50	20	DDGD	
CCSc1cccnc1C(=O)NNc1ccnc(N(C)C)n1	825985098	XYUIAXMXSHMIHH-UHFFFAOYSA-N	318.406	1.807	50	20	DDGD	
O=C(CCCC(=O)C1CC1)NNC(=O)COCc1ccccc1	825968763	CQPGJAFADBNZKE-UHFFFAOYSA-N	318.373	1.500	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)OC(C)(C)C)c1nnc2n1CCC2	491281842	GHELUUAJCILYLR-MRVPVSSYSA-N	310.358	1.024	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1c(F)cccc1Br	823946664	MHGAQEQDQMMDQA-ZETCQYMHSA-N	305.147	1.546	50	20	DDGD	
C=C(CI)n1cc(C2CCNCC2)nn1	900641213	OPGKJXBXCIDQQY-UHFFFAOYSA-N	318.162	1.651	50	20	DDGD	
CC(C)OC1(CNCc2ccc(B(O)O)cc2)CCCCC1	585028104	DICJXUCEIYLKII-UHFFFAOYSA-N	305.227	1.584	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCCOC[C@H]1CCCO1	491164259	ZVQXAVVEEROOSG-SCOADAFUSA-N	316.357	1.611	50	20	DDGD	
C[C@H](NCc1ccccc1B(O)O)c1nc(C(C)(C)C)cs1	585021694	BZRFNVXVHLAHEZ-NSHDSACASA-N	318.251	1.971	50	20	DDGD	
CC[C@@](O)(CNCc1ccc(B(O)O)o1)c1ccc(Cl)cc1	585037352	ZSMWDKXQIGMZEL-OAHLLOKOSA-N	323.585	1.000	50	20	DDGD	
CO[C@](C)(C1CC1)[C@@H](C)NC(=O)NNC(=O)OC(C)(C)C	497035783	NIBZBROOJRXQQB-OTYXRUKQSA-N	301.387	1.929	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2ccc(CCC(=O)O)cc2)CC1	906924545	HGSGXFSSGKBWHH-UHFFFAOYSA-N	320.370	1.548	50	20	DDGD	
OB(O)c1cccc(CNCCc2ccccc2C(F)(F)F)c1	585018333	JWLORRKKPNHUML-UHFFFAOYSA-N	323.123	1.718	50	20	DDGD	
CCC(=O)N1CCC[C@H](C(=O)NN(C)C(=O)OC(C)(C)C)C1	497298316	MPGNGQWTKIOOFS-NSHDSACASA-N	313.398	1.533	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H]2CCC3(CCCC3)O2)c(F)c1	585045059	AKQHLGPJCRBREC-AWEZNQCLSA-N	307.174	1.087	50	20	DDGD	
Cc1nc(Br)sc1C(=O)NN(C)[C@H](C)CO	823924186	XZUDKLGBWCTLNC-RXMQYKEDSA-N	308.201	1.171	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)/C=C\c1cnn(C)c1)c1ccccc1	731997672	RZSKEGFRTRRJBY-KVPUOBJLSA-N	312.373	1.775	50	20	DDGD	
CNC(=O)CCCNC(=O)NNc1cc(F)c(F)cc1F	734660399	BPXRBRGCQSOVQM-UHFFFAOYSA-N	304.272	1.256	50	20	DDGD	
CCS(=O)(=O)CC(C)=NNC(=O)[C@H](C)CN1CCCCC1	733744158	BHFHGVKRWPTZMR-GFCCVEGCSA-N	317.455	1.035	50	20	DDGD	
CC[C@@H](O)[C@@H](C)C(=O)NNC(=S)NCCc1cccs1	900050144	CRTMKIUCNQWIKH-MWLCHTKSSA-N	315.464	1.193	50	20	DDGD	
Cn1ccc(C=NNC(=O)CCCNC(=O)OC(C)(C)C)c1	494300305	SJNOFDQVFZEGOV-UHFFFAOYSA-N	308.382	1.780	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@@H](Br)C(C)(C)C)C[C@H](C(=O)O)O1	909894433	CTHLBFFQTMOUOC-IWSPIJDZSA-N	322.199	1.497	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(C)(C)CNC(=O)OC(C)(C)C	493605458	MJBBVBKLTGRDFM-UHFFFAOYSA-N	301.387	1.341	50	20	DDGD	
O=C(Cc1ccsc1)NNC(=O)c1ccc(C(=O)O)c(F)c1	833120094	PLDBFZBYUKUJDI-UHFFFAOYSA-N	322.317	1.589	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccc(C(=O)O)cc2)c1	739131771	FLNDKOYPYCUGKD-UHFFFAOYSA-N	309.281	1.331	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CCCN(C)C(=O)O)n1	830765577	ULRSXHKGNVCDFK-UHFFFAOYSA-N	301.734	1.272	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)c2ccccc2n1	907955170	YUUZHUMQMPORRW-IUIKQTSFSA-N	323.352	1.529	50	20	DDGD	
C[C@]1(C(=O)N2CCN(C(=O)C3CC3)CC2)C[C@H]1Br	905263571	QUBFKMNFPHDPMD-MFKMUULPSA-N	315.211	1.241	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(-c2ccccc2)[nH]1	732084048	HTTICVVCKHGUIT-UHFFFAOYSA-N	309.329	1.788	50	20	DDGD	
CCC(CC)c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1	585008988	RZBSHSCDBHZQMO-UHFFFAOYSA-N	301.155	1.245	50	20	DDGD	
C[C@H]1CC[C@@H](CNC(=O)NNC(=O)COCc2ccccc2)O1	838744405	JVPIASNLADTHLU-JSGCOSHPSA-N	321.377	1.101	50	20	DDGD	
CC[C@@H](C)[C@@H](NNC(=O)Cn1ccc2ccccc21)C(=O)OC	905759705	OGRDGJLMOBQEAJ-MLGOLLRUSA-N	317.389	1.850	50	20	DDGD	
CCOCCCN(C[C@H](C)C(=O)OC)S(=O)(=O)CCl	830525397	ZXCZGLOSWKJNHR-JTQLQIEISA-N	315.819	1.050	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNC(=O)c1cc2c(s1)CCC2	836605398	PUPFWEZWOWNWTP-MNOVXSKESA-N	321.402	1.524	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCCCCCCN)c1	831263034	AIXWGLYMHKESQZ-UHFFFAOYSA-N	303.366	1.021	50	20	DDGD	
CC(C)N(C[C@H]1C[C@H]2C=C[C@H]1C2)C(=O)c1ccc(B(O)O)cc1	584945540	JRMGWEYOXZDTSI-CWRNSKLLSA-N	313.206	1.429	50	20	DDGD	
CC[C@H](O)[C@H](C)C(=O)NNc1cccc(Br)n1	909545334	DGEKQWIMPKWSHJ-YUMQZZPRSA-N	302.172	1.694	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2n[nH]c3c2CCC3)c(F)c1	837210120	YHSUXJHLDVKMPO-UHFFFAOYSA-N	318.308	1.581	50	20	DDGD	
COc1ccc([C@H](C)C(C)=NNC(=O)c2ncon2)cc1OC	901290192	RSHVYXIKUMXVOT-SECBINFHSA-N	318.333	1.996	50	20	DDGD	
O=C(O)COc1ccccc1C=NNC(=O)[C@@H]1CCCCO1	834990579	SRXLIGTVLLXANO-ZDUSSCGKSA-N	306.318	1.169	50	20	DDGD	
C=C(C)CCNC(=O)NNC(=O)CCc1ccc(OC)cc1	836579431	JRLKNBYFACEEKK-UHFFFAOYSA-N	305.378	1.924	50	20	DDGD	
Cc1cc(C)n(-c2ccc(CC(=O)NNc3cnccn3)cc2)n1	734245270	OHHFHYJGDFDPLL-UHFFFAOYSA-N	322.372	1.965	50	20	DDGD	
COc1ccc(OC(C)C)c(NCc2ccccc2B(O)O)c1	585012613	AUSYCJUVXCHIEO-UHFFFAOYSA-N	315.178	1.774	50	20	DDGD	
CCN1CCOC[C@@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	832969419	YOQUSIRBEBRDML-SNVBAGLBSA-N	318.299	1.264	50	20	DDGD	
CC[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H]1CCCCO1	833250417	GNFBMQIPWVTDNJ-LSDHHAIUSA-N	304.390	1.972	50	20	DDGD	
Cc1nccn1CCCCOC(=O)/C(C#N)=C\c1cnn(C)c1	837972523	VMKKJWMETWLDQJ-DHDCSXOGSA-N	313.361	1.856	50	20	DDGD	
CC(C)(C)c1ncsc1NC(=O)c1ccc(B(O)O)c(F)c1	584956656	FRVYGLWPPTYPOS-UHFFFAOYSA-N	322.170	1.512	50	20	DDGD	
CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cc(B(O)O)ccc1F	584951603	XNLHQWDCLZECFJ-NHYWBVRUSA-N	307.174	1.546	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CCC(C)(C)[N+](=O)[O-])cc1	831939658	CEAAVNRCNBMGNV-UHFFFAOYSA-N	324.337	1.683	50	20	DDGD	
Cc1ccc(C)c(N2CCN(S(=O)(=O)CCl)CC2)c1	830889515	QJWOMZNYJZIZPG-UHFFFAOYSA-N	302.827	1.952	50	20	DDGD	
CO[C@@H]1C[C@@H](N(C)S(=O)(=O)CBr)C12CCC2	832529909	RCPHIHJKDZWSNL-RKDXNWHRSA-N	312.229	1.558	50	20	DDGD	
Cc1cc(CC(=O)NN=C2CCN(C3CCCC3)CC2)n[nH]1	917543390	NYEBKSSNGIMRFE-UHFFFAOYSA-N	303.410	1.771	50	20	DDGD	
CO[C@@H](C=NNC(=O)Cc1ccc(F)cc1)C1CCOCC1	834930472	GTORSUBZHVYYIZ-HNNXBMFYSA-N	308.353	1.912	50	20	DDGD	
Cc1nc(SCC(=O)NNC(=O)N(C)C)c(C#N)c(C)c1C	746003999	YEAXLUUPFRANKE-UHFFFAOYSA-N	321.406	1.273	50	20	DDGD	
CCCC[C@@H](NC(N)=O)C(=O)NNc1oc(C(C)C)nc1C#N	746519445	BQWNRAKFHNQKLZ-SECBINFHSA-N	322.369	1.340	50	20	DDGD	
C[C@H](CCOc1ccccc1)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843654900	SXOAPAARVZADIV-UMVBOHGHSA-N	320.389	1.664	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@@H]1CCc2ncncc2C1	843832620	UULVBGIIHICOBT-SNVBAGLBSA-N	313.317	1.633	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1cccc2c1CCNC2	841304303	GANOTLLFNRUQAX-UHFFFAOYSA-N	302.378	1.675	50	20	DDGD	
O=C(NCCOc1ncccc1F)NNC(=O)c1ccccc1	746703911	RXWLTNYVFGFHBZ-UHFFFAOYSA-N	318.308	1.244	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@]1(C(=O)OC(C)(C)C)CC=CCC1	910139562	BBAJVLWTGJSKPG-WBMJQRKESA-N	312.410	1.398	50	20	DDGD	
CNc1cc(Cl)ccc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	848233837	BOQFGZOVCZKCMS-WPRPVWTQSA-N	311.769	1.568	50	20	DDGD	
CCCNCCNC(=O)NNC(=O)CSc1ccc(C)cc1	841961872	RXZXAUYZHZSBNV-UHFFFAOYSA-N	324.450	1.417	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccc(F)cc2)c(C)[nH]1	914749521	DQAUJQLQDZHFSK-UHFFFAOYSA-N	305.309	1.611	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(NC(=O)COC)cc1	912977462	PSMCFXICXCTGTC-LUAWRHEFSA-N	303.318	1.654	50	20	DDGD	
CCNCCNC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	841934619	CRMRPRBCNBLQJL-SNVBAGLBSA-N	324.450	1.426	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H](C)Cc1cnc[nH]1	847661230	NJMJNHHLNWCSDP-JTQLQIEISA-N	302.334	1.518	50	20	DDGD	
CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1ncccn1	841591008	SSRMYNPZJLOZKL-GHMZBOCLSA-N	305.382	1.635	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccccc1OCc1ccncc1	910173587	NIIFIGPLCIUTRC-CYBMUJFWSA-N	315.373	1.618	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@H]2CCc3c[nH]nc3C2)o1	742594756	CLZKAGWNDSSFCB-VIFPVBQESA-N	314.349	1.641	50	20	DDGD	
CCN1CCN(CCC(=O)NNc2cccc(C#N)c2)CC1	748037907	UUANDPNALJRIGR-UHFFFAOYSA-N	301.394	1.029	50	20	DDGD	
CN(C)c1nc(CNC(=O)NNC(=O)C2CCCC2)cs1	747589221	NAVAWLDXWHDJHB-UHFFFAOYSA-N	311.411	1.230	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cn(C)nc1-c1cccnc1	743901156	ZYESTKLLFFNBGB-UHFFFAOYSA-N	316.365	1.226	50	20	DDGD	
C[C@H]1CC/C(=C\C(=O)NNc2ccccc2S(N)(=O)=O)C1	842262766	XCZKXMYNXNDPRM-SPQRFVMMSA-N	309.391	1.524	50	20	DDGD	
Cc1noc(C(F)F)c1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843655451	VFXYEFVPFSCZIO-NKWVEPMBSA-N	303.265	1.107	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1ccccc1C(=O)N(C)C	842549424	LVTKSTOWUGCUEH-YPMHNXCESA-N	303.362	1.264	50	20	DDGD	
CCOC(=O)c1cc(/C=C(\C#N)C(=O)[C@@H]2CCCOC2)[nH]n1	843269163	PVSGFNFKXWHAJV-VUUNSECVSA-N	303.318	1.489	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)C1(C)C	843970814	LLJPQVQGISYQBA-NDBYEHHHSA-N	310.394	1.200	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)n1	740113955	MJXFABQGRRMJNM-QWHCGFSZSA-N	315.352	1.929	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)c2c(C)noc2C)cc1	746494935	NYWZAVNYKSIMAU-UHFFFAOYSA-N	316.361	1.497	50	20	DDGD	
C[C@H](CCN)NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	841966487	DFKWUYCFOVAKDH-LLVKDONJSA-N	306.410	1.665	50	20	DDGD	
O=C(NCc1nc2c(s1)CCC2)NNC(=O)[C@H]1CCCCO1	924597618	QGQQFSMYFVBMGS-SNVBAGLBSA-N	324.406	1.031	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccnc1)C1C(C)(C)C1(C)C	746577377	FGHSMLSXMRIXDO-UHFFFAOYSA-N	316.405	1.986	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1cc(Cl)ccc1Cl	841002054	CHTNJFYCINGSHG-UHFFFAOYSA-N	305.165	1.885	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843662973	UQELKFOJHLBFHE-KXNHARMFSA-N	308.403	1.732	50	20	DDGD	
COCC[C@@H](C)CNC(=O)NNC(=O)C(C)(C)c1ccccc1	840399468	OMWWHDOHINNHCL-CYBMUJFWSA-N	321.421	1.967	50	20	DDGD	
O=C(Cc1cccc([N+](=O)[O-])c1)NNC(=O)OCC(F)(F)F	856021887	VOELVCSEOQVHEL-UHFFFAOYSA-N	321.211	1.457	50	20	DDGD	
O=C(NN=Cc1nccc2ccccc12)[C@@H]1CN2CCC[C@@H]2CO1	853387546	DIXPRLKGIZKZHK-PBHICJAKSA-N	324.384	1.548	50	20	DDGD	
C[C@@H]1OCCN(C(=O)NC[C@]2(C)C[C@H]2Br)[C@H]1C	856903413	PMPINNLQQQQYEL-GUDRVLHUSA-N	305.216	1.979	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NC[C@H](C)CN1CCOCC1	853771231	ONBAMIPOSYCDJG-LBPRGKRZSA-N	324.400	1.729	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1nc[nH]c1C(F)(F)F	857491200	OTWPERSMGWXUKG-UHFFFAOYSA-N	306.635	1.629	50	20	DDGD	
CC(C)S(=O)(=O)CCNC(=O)NNc1ccc(F)c(F)c1	922502700	DKBLJWCLXUBGKZ-UHFFFAOYSA-N	321.349	1.414	50	20	DDGD	
CC[C@@H]1COCC1=NNC(=O)c1nnc(O)c2ccccc12	853271938	OYVHOTXEWOJYHJ-SECBINFHSA-N	300.318	1.478	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1nnc(CC(C)C)s1	929241268	MNDQEBHRWWZQFX-UHFFFAOYSA-N	309.395	1.693	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](C)Oc2ccccc2)nc1	759730716	XJKMEVLRQXHAMO-NSHDSACASA-N	315.329	1.779	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1C(=O)NNC(=O)c1ccccc1	755319127	NQOPEJGTFOMFHS-UHFFFAOYSA-N	315.285	1.678	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=C/C=C/c1ccco1	920369872	BDDSDUFKHKKKTQ-YNFZOCRNSA-N	304.331	1.422	50	20	DDGD	
O=C(NNC(=S)NC[C@H]1CCCCO1)NC1CCCCC1	758173296	ULLPWDPADVOJDC-GFCCVEGCSA-N	314.455	1.567	50	20	DDGD	
CCCn1nc(C)c(C=NNC(=O)[C@H](C)OCCOC)c1C	755764919	UXOQVZRGMKLVCT-ZDUSSCGKSA-N	310.398	1.412	50	20	DDGD	
C[C@@]1(CNC(=O)NC[C@@H](O)C(F)(F)F)C[C@H]1Br	856954364	IZNMQBMTRQKAFJ-JKMUOGBPSA-N	319.121	1.382	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCCO2)C1CCOCC1	755892374	NQYOAPIMCFQVJR-UHFFFAOYSA-N	304.346	1.990	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)N[C@@H]1CCc2c[nH]nc2C1	921446804	PWCOOLOHOSGLLD-SECBINFHSA-N	307.304	1.872	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccsc2Cl)n1	854232494	RCYYSDRLQZWUTE-UHFFFAOYSA-N	312.782	1.676	50	20	DDGD	
CN1CCCC(=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)CC1	758093789	BGWPIRAHDQHXNT-UHFFFAOYSA-N	305.338	1.379	50	20	DDGD	
Cn1cc(C=NNC(=O)CCSc2ccc(F)cc2)nn1	755567264	UJUZNTUHUQYWBC-UHFFFAOYSA-N	307.354	1.587	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccc(SC2CCCC2)cc1	755736421	GBEQTSMCBZMKLD-UHFFFAOYSA-N	309.391	1.866	50	20	DDGD	
O=C(NNC(=O)c1cc[nH]n1)c1cccc(OC2CCCC2)c1	855358227	CDTIUHVBYUXKKD-UHFFFAOYSA-N	314.345	1.806	50	20	DDGD	
O=C(NNC(=O)c1cc[nH]n1)c1cccc(CN2CCCC2)c1	855359656	ZXEQYZQOPCADMK-UHFFFAOYSA-N	313.361	1.080	50	20	DDGD	
CCS(=O)(=O)C[C@H](C)NC(=O)NNc1cc(F)ccc1C	853733765	HORUCDFRVWVSSY-JTQLQIEISA-N	317.386	1.583	50	20	DDGD	
CC(=O)N[C@@H](CCC(C)C)C(=O)NNC(=O)c1ccccc1	854138899	XZJCNHKEJFYHFL-AWEZNQCLSA-N	305.378	1.389	50	20	DDGD	
CC[C@H](C)NC(=O)CCNC(=O)NNc1ncc(Cl)cn1	856843242	FMZDYHLHRLQZAK-QMMMGPOBSA-N	314.777	1.061	50	20	DDGD	
CC(C)n1nc(C(=O)NN=Cc2cc[nH]n2)c2ccccc2c1=O	755547318	WZBNUFPGXQQGAT-UHFFFAOYSA-N	324.344	1.464	50	20	DDGD	
O=C(NC[C@H]1CCC[C@@H]1C1CC1)NNC(=O)c1cccc(F)n1	852380119	JITMXXMZIZSZEG-VXGBXAGGSA-N	320.368	1.991	50	20	DDGD	
CN(C)C(=O)NN=C1CCN(c2ccc([N+](=O)[O-])nc2)CC1	853296181	FAIAWGLAQLWEDW-UHFFFAOYSA-N	306.326	1.217	50	20	DDGD	
CN1CCCC(=NNC(=O)CCCNC(=O)C(C)(C)C)CC1	853407089	FMUVJGFUKHWNLZ-UHFFFAOYSA-N	310.442	1.517	50	20	DDGD	
Cc1nc(S(=O)(=O)NC[C@]2(C)C[C@H]2Br)cn1C	856756932	UAQLHDXSNBYGKI-SCZZXKLOSA-N	322.228	1.180	50	20	DDGD	
CCC1(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)CC1	750483606	XNALKFDQQANGHA-UHFFFAOYSA-N	324.764	1.834	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N(C)C)c(Br)n1	755775534	QINNFMKJAYCLCI-UHFFFAOYSA-N	301.144	1.069	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cc(C3CC3)nn2C)c1	935298671	OQFDEWIEDFUDGN-UHFFFAOYSA-N	314.345	1.841	50	20	DDGD	
C[C@@H]1CCCN(C(=O)/C(C#N)=C/c2cnn(C)c2)[C@@H]1CCO	855540638	HRSZCMZFPQCXPB-JOTCQTJXSA-N	302.378	1.337	50	20	DDGD	
O=C(NN=Cc1cc(F)ccc1OC(F)F)N1CCOCC1	853297032	XGKNEHURDAKHHH-UHFFFAOYSA-N	317.267	1.803	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cnco2)c1C	758075948	NXAAJHSJLJOUQG-NSHDSACASA-N	303.318	1.520	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@H](C)c2ccncc2)nc1	759737348	BEYFAHMBZVTHAF-NSHDSACASA-N	314.345	1.900	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2COC[C@@H]2O)c1C	869934196	GGDABFQXQBKMLW-QAIKFOBFSA-N	317.389	1.298	50	20	DDGD	
COc1ccc(NNC(=O)CCCCN(C)C)c([N+](=O)[O-])c1	768331544	CSYJXUHCWSDYNP-UHFFFAOYSA-N	310.354	1.778	50	20	DDGD	
CCNC(=O)NNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F	762583564	AQLCJRSBKKPTED-UHFFFAOYSA-N	312.301	1.362	50	20	DDGD	
O=C(NNc1ncccc1C(F)(F)F)[C@@H]1C[C@@]12CCOC2	764464415	ZEHSMYNTYHXJKW-JOYOIKCWSA-N	301.268	1.970	50	20	DDGD	
C[C@@H](NNC(=O)c1ccccc1SCC(N)=O)C(F)(F)F	862306176	FWFUOGWXVOZHIX-SSDOTTSWSA-N	321.324	1.449	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@H]2CCC(F)(F)C2)n1	764378493	OQTDAFHOBWXKGP-JTQLQIEISA-N	315.324	1.018	50	20	DDGD	
COC(=O)c1cc(C(=O)NNC(=O)NC2CCCC2)ccc1C	865037831	CZHURXLXTGNGKW-UHFFFAOYSA-N	319.361	1.668	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NN=Cc1cccnc1N	764669225	ZVJAEZNCBNICOW-JTQLQIEISA-N	302.309	1.721	50	20	DDGD	
C[C@H](NNC(=O)c1cc2c(cc1F)NC(=O)CC2)C(F)(F)F	862314566	DWRIAMBHEWBEQJ-LURJTMIESA-N	319.258	1.896	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc([C@H]3CCOC3)c2)n[nH]1	761489465	YHNBLANDNLIDMZ-ZDUSSCGKSA-N	314.345	1.297	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(OCOC)cc1	931779980	GXFCEIIJLFDNRX-UHFFFAOYSA-N	305.334	1.626	50	20	DDGD	
O=C(Cc1cccnc1Cl)NNC(=O)NCC(F)(F)F	868028226	SGZJJLZLKRDUCT-UHFFFAOYSA-N	310.663	1.170	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1CCCN1C(=O)C(C)(C)C)C(F)(F)F	862306622	CCAVHUPUMKQTEU-IUCAKERBSA-N	309.332	1.595	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cnn(CC3CC3)c2)nc1	867015728	IIHLKBDYFHJORD-UHFFFAOYSA-N	315.333	1.232	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C	860128619	POEHBMKDOYHVLE-DVZHBHJUSA-N	304.390	1.744	50	20	DDGD	
CCc1noc2ncc(C(=O)NN[C@@H](C)C(F)(F)F)cc12	862310113	YUJJYKWJYJDIIB-LURJTMIESA-N	302.256	1.970	50	20	DDGD	
CC(C)=C[C@@H]1[C@H](C(=O)NNC(=O)Cc2cc(C)[nH]n2)C1(C)C	869013095	MBJUDXRNDFGWOF-TZMCWYRMSA-N	304.394	1.646	50	20	DDGD	
O=C(NCc1cccnn1)NNC(=O)c1cc2c(s1)CCC2	767878739	CUXDNMAFFPAURK-UHFFFAOYSA-N	317.374	1.171	50	20	DDGD	
COc1nccnc1NNC(=O)COc1cccc(Cl)c1	764470145	VVOUMJIHJASYKK-UHFFFAOYSA-N	308.725	1.661	50	20	DDGD	
O=C(CNC(=O)C1CC1)NNc1ccc(OC(F)(F)F)cc1	761600365	WMOQHOSMGJMJGB-UHFFFAOYSA-N	317.267	1.555	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1nc(Cl)ccc1F	769767291	INNKBSUUXCBBCD-UHFFFAOYSA-N	322.818	1.346	50	20	DDGD	
O=C(NNc1ccc(F)cn1)[C@@H]1CC(=O)N(C2CCCC2)C1	874651396	NFZSNWPODLOXON-SNVBAGLBSA-N	306.341	1.455	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2scnc2C2CC2)n1	775690434	LZLCLCDNOLFOKG-UHFFFAOYSA-N	306.351	1.968	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(C(=O)OC)c(F)cc1F	878245257	ALTWMOHLCNBHOA-UHFFFAOYSA-N	317.292	1.366	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@@H](C)CC(C)(C)C	772032923	PBYCWNVQJALQBM-MNOVXSKESA-N	300.399	1.938	50	20	DDGD	
C[C@@H]1Oc2ccc(NC(=O)NNc3ncccn3)cc2NC1=O	775468081	LWMSAKWMQLSPGT-QMMMGPOBSA-N	314.305	1.345	50	20	DDGD	
CCn1ncnc1CNC(=O)NNc1cccc(F)c1Cl	875551542	XZZMLYZQOPZHNK-UHFFFAOYSA-N	312.736	1.917	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	879386037	DOWGMIQFSQAOPW-COPLHBTASA-N	304.346	1.731	50	20	DDGD	
O=C(Cn1cc(Cl)cn1)NNC(=O)c1ccccc1Cl	1117664681	FBOWLDCBKRNRJP-UHFFFAOYSA-N	313.144	1.651	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)C1	776414798	MNOISFBXSGYMJJ-WCQYABFASA-N	304.346	1.427	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1	874214303	ZBPBUDXZRSMZAC-JTQLQIEISA-N	319.283	1.479	50	20	DDGD	
Cc1cc(C(N)=O)ccc1NC(=O)NNc1ncc(F)cn1	775497962	VGBCTJYYBBJJEO-UHFFFAOYSA-N	304.285	1.172	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1cnn(-c2ccccc2)c1	775636784	WITVAEJHUIJVOR-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
CCc1nc(C(=O)NNc2ccc(OC)cc2[N+](=O)[O-])co1	773391645	NODVGVRXYSEFTR-UHFFFAOYSA-N	306.278	1.911	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CCC(F)(F)F	772160294	BWQBHXNWYRCASO-QMMMGPOBSA-N	312.288	1.454	50	20	DDGD	
CCn1nc(C(=O)NNc2nc3ccccc3cc2C)ccc1=O	777482604	LZRVUQUUNRPCPL-UHFFFAOYSA-N	323.356	1.877	50	20	DDGD	
Cc1ccc(F)cc1C(=O)NNc1nc(O)c2cnn(C)c2n1	770974230	RYWSBGIINIUNTM-UHFFFAOYSA-N	316.296	1.273	50	20	DDGD	
CO[C@@]1(C)C[C@@H](NC(=O)NNc2ccc(C#N)cn2)C1(C)C	888448413	PQIMUUZTRZTSID-ABAIWWIYSA-N	303.366	1.783	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc2sc(C)nc2c1	1120860386	CPPVZRLXAKAVIN-UHFFFAOYSA-N	306.347	1.101	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1OC	889483261	JWEBGOQHZWPYGB-ZJUUUORDSA-N	323.349	1.282	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(COCCOC)cc1	887149147	LEEGXLJEIGCTIM-UHFFFAOYSA-N	318.373	1.414	50	20	DDGD	
Cc1ncc(NC(=O)C(=O)NNc2cccc([N+](=O)[O-])c2)s1	784828139	KXGPWVIYQZPKSU-UHFFFAOYSA-N	321.318	1.442	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@@H](C)NC(=O)C1CCCC1	887142994	HISLBSYBZOOMSZ-GFCCVEGCSA-N	307.394	1.022	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ccc(Cl)nc2)cn1	784869648	DACLZVLGEHSILA-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccoc1Br	883068908	MIDLSDRAEWMCHW-UHFFFAOYSA-N	317.139	1.230	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@H]1COc2ccccc2O1	781805132	NFRUVCHRJGYRTK-LLVKDONJSA-N	306.709	1.413	50	20	DDGD	
CC(C)(C)OC(=O)c1cccc(C=NNC(=O)C(C)(C)O)c1	785458350	XGBLQQWJVBFPNK-UHFFFAOYSA-N	306.362	1.863	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CCCN2C(C)C)cc1	891957832	MRBPPVAQVJJRHT-HNNXBMFYSA-N	318.421	1.427	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cccc(C2OCCO2)c1	781831902	RHSOBGLMLRWKJO-UHFFFAOYSA-N	320.736	1.932	50	20	DDGD	
CC[C@@H](O)[C@H](C)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	899942669	ORZCWDXBMJQKCV-FYBHJDENSA-N	308.422	1.757	50	20	DDGD	
O=C(NNc1ccncn1)c1csc(N2CCCCC2)n1	897884434	XRHPEEJSSSSZET-UHFFFAOYSA-N	304.379	1.680	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)c2ccccc2F)on1	792885714	QRWKMGAPKGUKGI-UHFFFAOYSA-N	305.265	1.754	50	20	DDGD	
Cc1c[nH]nc1C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	799419440	OEOVKCFNRBICFO-UHFFFAOYSA-N	302.338	1.251	50	20	DDGD	
CC(C)(O)CC(=O)NNC(=O)c1cccc(OC(F)F)c1	792135557	BOECNECJDTWMCI-UHFFFAOYSA-N	302.277	1.210	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(N(C)C)cc1)c1ccc(O)nn1	790168429	VGSPYMYSTWGOHE-UHFFFAOYSA-N	314.349	1.794	50	20	DDGD	
Cn1cccc1C(=O)NNC(=S)NCCCCC(F)(F)F	794968468	HVAAETQUHCUVAD-UHFFFAOYSA-N	322.356	1.867	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)C1C[C@@H]2CC[C@H](C1)N2C	796458317	KVQNYDKGWPWBIS-JKXDFHQYSA-N	324.469	1.125	50	20	DDGD	
N#CCc1ccccc1S(=O)(=O)NNC(=O)C1CCCC1	794579885	QWCUODUUIKPQMM-UHFFFAOYSA-N	307.375	1.252	50	20	DDGD	
CC(C)O[C@@H](C(=O)NNC(=O)c1cnn(C)c1)c1ccccc1	794339354	KHKORUIZRKAYSO-CQSZACIVSA-N	316.361	1.347	50	20	DDGD	
CO[C@H](CNC(=O)NNc1nncc(N)c1Cl)C(C)C	1319392942	HCSBYRYQDLZWME-MRVPVSSYSA-N	302.766	1.009	50	20	DDGD	
Cn1nc(-c2ccco2)cc1NC(=O)NNC(=O)C(C)(C)C	1321267453	XLLWAHSTGTYKLY-UHFFFAOYSA-N	305.338	1.879	50	20	DDGD	
Cc1cc(NNC(=O)c2c(C)oc3ncnc(O)c23)nc(C)n1	1321970297	VEDHXWCCCDKKJQ-UHFFFAOYSA-N	314.305	1.401	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cnn(CC(C)C)c2)cc1	1325121145	KCTKVAQKMZYGFG-UHFFFAOYSA-N	316.361	1.623	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1n[nH]c2c1CCCC2)c1ccccc1	1254573128	IKLGNTXCPPODEQ-NSHDSACASA-N	312.373	1.853	50	20	DDGD	
N#CCOc1ccc(NC(=O)NNc2ncc(F)cn2)cc1	1320410776	TUVNAHXVHVVGGQ-UHFFFAOYSA-N	302.269	1.667	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCC(F)(F)F)cc1	1330235128	UJTISGHGUZSUIQ-UHFFFAOYSA-N	305.256	1.592	50	20	DDGD	
O=C(/C=C\c1ccsc1)NNC(=O)c1n[nH]c2c1CCCC2	1332255709	DUCQOJZHIKDFAN-WAYWQWQTSA-N	316.386	1.824	50	20	DDGD	
CC(C)C[C@H](CN)CC(=O)NNc1nncc(N)c1Cl	1333628681	AZLZEAUEABMTJR-QMMMGPOBSA-N	300.794	1.166	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@@H]1CCCN(CC(F)F)C1	1332120686	MURHYEFTILVSAR-SECBINFHSA-N	302.300	1.641	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N[C@H]2CC=CCC2)C[C@@H]1Br	1331076668	GIYWWVOIXVBHCM-OUJBWJOFSA-N	315.211	1.501	50	20	DDGD	
COCCOCC(=O)NNC(=O)[C@H](C)CC1CCCCC1	1332170080	HLKXWCQOWSPMMF-GFCCVEGCSA-N	300.399	1.403	50	20	DDGD	
CCc1ccccc1CC(=O)NNc1nncc(N)c1Cl	1338722489	AOHQAJMYYYIEHG-UHFFFAOYSA-N	305.769	1.960	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccn(C)n1)NC(=O)C1CCCCC1	1261383922	ZWZXWKDCOIOXGQ-NSHDSACASA-N	307.398	1.338	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H]1Cc2ccc(C)cc2S1	1342608414	UQLBMUCXZZKNJV-GFCCVEGCSA-N	316.386	1.954	50	20	DDGD	
COC(=O)c1ccccc1C(=O)NNC(=S)NCC1CCC1	1347179390	MLZBLQTWPCGCTO-UHFFFAOYSA-N	321.402	1.382	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NCCC(F)F	1521152444	VOCGCRMKDLPHBE-UHFFFAOYSA-N	311.292	1.242	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C12CCC(C(=O)O)(CC1)CC2	1603904178	HPKSLYXSRBFGKG-UHFFFAOYSA-N	313.423	1.315	50	20	DDGD	
Cc1nccc(CCC(=O)NNc2cccc(C(=O)O)c2)n1	1600748784	IRLLYOBPFCJGQS-UHFFFAOYSA-N	300.318	1.559	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)C(F)(F)C2(O)CCC2)c(F)c1	1608903639	AROBXKAAZQVJIM-UHFFFAOYSA-N	318.251	1.517	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1cc(F)c(O)c(F)c1	1605820862	IMLGWICZHPGCNH-UHFFFAOYSA-N	309.228	1.521	50	20	DDGD	
Nc1cc(F)c(F)cc1C(=O)NNc1ccc(C(=O)O)cn1	1608271149	DQLUHFMUERUYRR-UHFFFAOYSA-N	308.244	1.397	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccc(CO)c(F)c2)c(F)c1	1602383209	XSTDADIECUJCMH-UHFFFAOYSA-N	322.267	1.912	50	20	DDGD	
CCC(C)(CC)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1609182630	DLLWBGYFZSCJLB-UHFFFAOYSA-N	316.365	1.454	50	20	DDGD	
Cc1ncc(NC(=O)NNC(=O)C2CCCC2)cc1C(=O)O	1600742871	BNLNZSKLTOTVSJ-UHFFFAOYSA-N	306.322	1.431	50	20	DDGD	
O=C(O)[C@H]1C[C@@H](C(=O)NNc2ccnc(Br)c2)C1	1602213735	CRSCIWWAMPWEIN-KNVOCYPGSA-N	314.139	1.398	50	20	DDGD	
C[C@H](CC(=O)O)CC(=O)NNc1ccc(C(F)(F)F)nn1	1604106293	MGMUQUJBMXIOJR-LURJTMIESA-N	306.244	1.439	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)cc1F)NOC[C@H]1CCOC1	1601556104	APKRBYACICHDNQ-QMMMGPOBSA-N	313.285	1.118	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cnc(C3CC3)[nH]2)c(F)c1	1610835514	LDUWERUQIVEDGB-UHFFFAOYSA-N	304.281	1.881	50	20	DDGD	
CCCNNC(=O)Cc1ccccc1I	1577575009	ZFRSGPWPJMKSSA-UHFFFAOYSA-N	318.158	1.865	50	20	DDGD	
Cc1c(CN)c(NC(=O)NNc2ccc(F)c(F)c2)nn1C	1579532155	LNCYLOCWCHBPGP-UHFFFAOYSA-N	310.308	1.614	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1[nH]c2ccccc2c1CC(=O)O	1589693319	GKDYMOROLYMIGO-UHFFFAOYSA-N	317.345	1.602	50	20	DDGD	
N#Cc1cccc(NNC(=O)[C@@H]2NCCOc3ccccc32)c1	1580078025	IBZKAYRAVKQYJM-MRXNPFEDSA-N	308.341	1.725	50	20	DDGD	
CC(C)[C@@H](C(=O)O)C(=O)NNc1ccc(Br)nc1	1588807981	HUWUUQSYBNNIEC-SECBINFHSA-N	316.155	1.644	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2coc(/C=C/C(=O)O)c2)c1	1594435734	MJKPHHGLZKYXRC-NSCUHMNNSA-N	320.326	1.822	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1C[C@H]2CC[C@H]1[C@@H](C(=O)O)C2	1590700973	AOQMOQJRDUSPAA-DCAQKATOSA-N	323.842	1.766	50	20	DDGD	
CCn1ccnc1C(C)=NNC(=O)c1cccc(C(=O)O)c1	1776095555	GANUCRMLLRQHDS-UHFFFAOYSA-N	300.318	1.755	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C1=Cc2ccccc2OC1	15758808	IWALFVLKXKFXSE-UHFFFAOYSA-N	305.403	1.756	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](CC)c1ccc(F)cc1F	161971004	FUOOJAQAKCINIQ-LBPRGKRZSA-N	315.320	1.783	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)c1cncc(F)c1	164540997	MACOCDPOAMUMGR-UHFFFAOYSA-N	313.292	1.252	50	20	DDGD	
Cc1cc(C)n2nc(C(=O)NNc3cccc(F)c3)nc2n1	154860894	KICHSFBVEWHOPB-UHFFFAOYSA-N	300.297	1.637	50	20	DDGD	
O=C(N/N=C1/C(O)=Nc2cc3c(cc21)OCCO3)c1cccnc1	7931448	CEDBNUHTXBLPBB-UHFFFAOYSA-N	324.296	1.589	50	20	DDGD	
Cc1cc(C)c(CC(=O)NNC(=O)Cc2cccnc2)c(C)c1	179906744	YPGVIBUNWKBZGF-UHFFFAOYSA-N	311.385	1.939	50	20	DDGD	
CC(C)CCNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	54062234	FKOLOWHGCSFHRL-ZDUSSCGKSA-N	307.350	1.203	50	20	DDGD	
COCCCCNC(=O)NNC(=O)c1cc2ccccc2o1	175803085	GDQKPFONNZFXKU-UHFFFAOYSA-N	305.334	1.803	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@@H]1CCCN(CC(F)(F)F)C1	171482203	LUKSMAHTRYRRAH-SNVBAGLBSA-N	323.359	1.844	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1n[nH]c2ccccc2c1=O	114893880	RMQILXKXKCHJII-UHFFFAOYSA-N	316.708	1.123	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)Cc2cc[nH]n2)c(C)c1	106417209	CXPNLSHDINETTP-UHFFFAOYSA-N	316.361	1.186	50	20	DDGD	
C[C@H]1CCCN([C@@H](C)CNC(=O)NNC(=O)CC(C)(C)C)C1	103305316	BSHLNZCRXIJLTM-STQMWFEESA-N	312.458	1.873	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2c(C)nn(C)c2C)o1	176562859	PHZGMCBGSPROOD-UHFFFAOYSA-N	305.338	1.083	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNC(=O)c2cccc(Cl)c2)c[nH]1	173617844	AHCUPPXPXLERMB-UHFFFAOYSA-N	305.721	1.412	50	20	DDGD	
O=C(CCN1CCCS1(=O)=O)NNc1ccccc1Cl	178979255	USZAQVPKKTXMFE-UHFFFAOYSA-N	317.798	1.209	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc(NC(N)=O)c2)o1	175844251	MRPZRQQXKQJXKS-UHFFFAOYSA-N	302.290	1.153	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cn1	117678997	FTIRMKZUALZQSN-UHFFFAOYSA-N	323.696	1.057	50	20	DDGD	
C#CCCCCC(=O)NNC(=O)CNc1ccc(OC)cc1	179749815	GCLPDIATIWPNLN-UHFFFAOYSA-N	303.362	1.448	50	20	DDGD	
COc1ccc(C(F)(F)C(=O)NNC(=O)[C@@H]2CCCO2)cc1	119601686	DFWBGEGYFQMDHI-NSHDSACASA-N	314.288	1.113	50	20	DDGD	
CSC[C@@H](C)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	112823816	RYFSUWDZZZBVPR-LLVKDONJSA-N	318.402	1.632	50	20	DDGD	
O=C(NNC(=O)c1ccc(O)c(Cl)c1)Nc1cccnc1	114777997	COVBTKYSBKTHHQ-UHFFFAOYSA-N	306.709	1.907	50	20	DDGD	
O=C(NNc1cccnn1)N[C@H]1[C@@H]2CCO[C@@H]2C12CCCC2	179265620	OBBSINJKBOSZNE-DRZSPHRISA-N	303.366	1.450	50	20	DDGD	
O=C(CNC(=O)c1cccc(F)c1)NNc1ccc(Cl)nn1	118502770	QMYADXMBWZINEW-UHFFFAOYSA-N	323.715	1.142	50	20	DDGD	
CCc1ccc(OCC(=O)NNC(=O)c2cccn2C)cc1	60389741	BFBUXONELFUYMR-UHFFFAOYSA-N	301.346	1.428	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)C(=O)Nc1ccc(Cl)cc1F	123168901	OIEYFMVHQOGYKI-UHFFFAOYSA-N	324.699	1.207	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(Cl)c1	124819740	ZYADBLCGCVJELE-QMMMGPOBSA-N	311.769	1.780	50	20	DDGD	
Cc1c(C#N)cccc1NC(=O)NNC(=O)Cc1ccncc1	183273861	HKOWTFBSXAIQLD-UHFFFAOYSA-N	309.329	1.657	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cncc(Br)c1	184746821	YDLDZWGPTAMMBR-WMZJFQQLSA-N	310.151	1.514	50	20	DDGD	
C#CCOc1ccccc1NC(=O)NNC(=O)c1cccn1C	188089975	PFWFMOBCEVKELX-UHFFFAOYSA-N	312.329	1.504	50	20	DDGD	
Cc1ccc2cccc(C(=O)NNC(=O)c3cnn(C)c3)c2n1	78115942	ZJSNAFSPLYKVFM-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
CCC[C@@H]1C[C@H](C(=O)NNC(=O)c2ccccc2O)CCO1	183531105	ABVZUGTYPUQXEL-VXGBXAGGSA-N	306.362	1.749	50	20	DDGD	
O=C(NNc1ccccn1)Nc1ccnn1Cc1ccccn1	180664228	PFAXNBPIXKBNQM-UHFFFAOYSA-N	309.333	1.870	50	20	DDGD	
Cc1ncsc1/C=C/C(=O)NNc1cc(Cl)nc(N)n1	189087525	HWKALIZJTVQIGM-NSCUHMNNSA-N	310.770	1.634	50	20	DDGD	
COc1cccc(NNC(=O)NCC(C)(C)N2CCCCC2)n1	180827797	QGOBYLSUOMBAMO-UHFFFAOYSA-N	321.425	1.981	50	20	DDGD	
O=C(C[C@H]1COC(=O)C1)NNc1ccc(OC(F)(F)F)cc1	132833612	ZXXBHBABKOGLIS-MRVPVSSYSA-N	318.251	1.982	50	20	DDGD	
C=C(C)COCCNC(=O)NNC(=O)c1c[nH]c2ccccc12	134991760	DNDHMFZDZWWRBE-UHFFFAOYSA-N	316.361	1.705	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2ccc(F)cc2F)n(C)n1	131353890	CXDMALDZWJKQPM-UHFFFAOYSA-N	323.303	1.343	50	20	DDGD	
COc1cccc(C(=O)NCC(=O)NNc2ccccc2C)c1	192627402	JZVDUCNDJURONR-UHFFFAOYSA-N	313.357	1.877	50	20	DDGD	
CSCC[C@H](N)C(=O)N/N=c1/sc2ccccc2n1C	132497010	IEEJUPSQJIZCBG-ZZYATGKOSA-N	310.448	1.252	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2cc(C)ccn2)cc1F	190049079	ZIIRQPJGOLMDDQ-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
O=C(NNS(=O)(=O)c1cccc(F)c1)NC1CCCCC1	192733839	FQXFXUDYYNXJOI-UHFFFAOYSA-N	315.370	1.651	50	20	DDGD	
O=C(NNc1ncccn1)[C@@H]1CCCN1Cc1ccc(F)cc1	81526545	BNSYKNWVFXNYPD-AWEZNQCLSA-N	315.352	1.723	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NC2CCSCC2)c1	195475724	VESVWDOBRZKLGX-UHFFFAOYSA-N	322.434	1.592	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)C2(O)CCSCC2)c1	92455508	GYIVOVGBLDYXMK-UHFFFAOYSA-N	312.782	1.308	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)OC(C)(C)C)c(C(F)(F)F)n1	97026555	FSKBHEVJURZIDC-UHFFFAOYSA-N	308.260	1.608	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNc1cc(C#N)cc(Cl)n1	93544682	OBRQCMYXNGDPDI-UHFFFAOYSA-N	323.784	1.698	50	20	DDGD	
O=C(CCCNC(=O)c1ccsc1)NNC(=O)c1ccc[nH]1	96951427	SCSANAKWZACFJL-UHFFFAOYSA-N	320.374	1.047	50	20	DDGD	
COc1cccc(OCCCNC(=O)NNc2ncccn2)c1	265718594	FYTWNTISALFFOP-UHFFFAOYSA-N	317.349	1.580	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@@H](C)CCN(C)C)c1ccccc1	264751493	KCYKGQDQXOPLJQ-ZFWWWQNUSA-N	320.437	1.851	50	20	DDGD	
CC(C)(C(=O)NNc1cc(F)c(F)c(F)c1)S(C)(=O)=O	269619972	RXUCRMZGDRBYTO-UHFFFAOYSA-N	310.297	1.370	50	20	DDGD	
Cc1c(C(=O)O)cccc1S(=O)(=O)NNC(=O)CC(C)C	268650212	VRCJIASWMOJOFH-UHFFFAOYSA-N	314.363	1.049	50	20	DDGD	
CC(C)n1ncc2c1[C@@H](NC(=O)NNc1ncccn1)CCC2	368392507	GFGWUGRRIIOVEK-LBPRGKRZSA-N	315.381	1.958	50	20	DDGD	
CCOc1ccccc1NC(=O)C(=O)NNC(=O)OC(C)(C)C	274226268	PTRPTTMUNAXJMH-UHFFFAOYSA-N	323.349	1.580	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1ccc(N2CCOCC2)cc1	272711960	HSVGLEUFDDCLHH-UHFFFAOYSA-N	316.336	1.814	50	20	DDGD	
CNC(=O)c1cc(NC(=O)NNC(=O)CC2CC2)ccc1Cl	273469556	HWJMSRIBWIVMHR-UHFFFAOYSA-N	324.768	1.652	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(Cl)nc1)n1nnnc1C(C)(C)C	273479200	SFQXNNQIXVAAIT-MRVPVSSYSA-N	323.788	1.723	50	20	DDGD	
CCc1ccc(C(=O)NNC(=S)NCCSC)c(O)c1	276366484	NHGRDFPIRLPTAB-UHFFFAOYSA-N	313.448	1.427	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCCN1C(=O)CCC1=O	272616896	PRJUMLWYCQAZOB-SNVBAGLBSA-N	319.199	1.061	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2CCC2)cc1Cl	274080022	LNKFTQRRXVTVTQ-UHFFFAOYSA-N	309.753	1.534	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)o1	370257952	ZOWDOOPWFKTGAK-RAIGVLPGSA-N	321.377	1.736	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H]1COCCN1C1CCCC1	281511503	GSWNOKODKSETOS-CQSZACIVSA-N	304.394	1.477	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2)c1ccc[nH]1	372280945	IWMYKRMPDFLZNU-DOLQZWNJSA-N	317.267	1.132	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	289466201	GVLBNWVIPDMQHD-QFYYESIMSA-N	322.430	1.961	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)CNc2ccc(OC)cc2)CC1	281788840	BWDMFTGWZBOVIQ-UHFFFAOYSA-N	321.377	1.071	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)O1	282700594	XSDSWIVBDBALGZ-KBVBSXBZSA-N	307.306	1.169	50	20	DDGD	
CSCC[C@H](O)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	295520507	MIPWGIVCKJTDBS-JTQLQIEISA-N	319.770	1.805	50	20	DDGD	
Cc1c(Cl)cncc1NC(=O)NNC(=O)[C@@H]1CCCCO1	297157612	SLLXOBSTWYRWKC-NSHDSACASA-N	312.757	1.765	50	20	DDGD	
CCC[C@H](CNC(=O)NNC(=O)c1c[nH]c2ccccc12)OC	296988224	UFUNGPQHEPZVJG-LLVKDONJSA-N	318.377	1.927	50	20	DDGD	
N#CC1=CCN(C(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)CC1	807177618	BVCCLQJJWZBUGR-JTQLQIEISA-N	301.268	1.222	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)c(OC)c1	295464768	YJEWGGVGQREAGN-ZDUSSCGKSA-N	322.361	1.424	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)[C@H](F)C(F)(F)F	291165067	YXUJPDKBZXPLSK-YFKPBYRVSA-N	306.141	1.839	50	20	DDGD	
O=C(NC[C@@H]1CCCCO1)NNc1ccc2c(=O)[nH]ccc2c1	806538943	ANXLMODDNSMHDD-ZDUSSCGKSA-N	316.361	1.723	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CCS(=O)(=O)C1CCCC1	808246034	NOFJGHHVLYAKDV-UHFFFAOYSA-N	316.250	1.996	50	20	DDGD	
Cc1nc(C(C)C)ccc1C(=O)NNC(=O)[C@@H]1CCCCO1	295347965	ILCULLPKINQOTK-AWEZNQCLSA-N	305.378	1.844	50	20	DDGD	
CN(C)[C@@H](C(=O)NNC(=O)[C@H]1CCCCO1)c1ccccc1	295686193	YODLITWMMSRKEE-ZIAGYGMSSA-N	305.378	1.006	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1occ2c1CCC2	803170714	ZBKCSIRVZFWLMJ-UHFFFAOYSA-N	314.341	1.781	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)NC[C@@H]2C[C@@H]2C)cc1C	298743756	PGLNLLHHYXZMEQ-RYUDHWBXSA-N	318.377	1.228	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1ccc2nn[nH]c2c1	803432028	JUGDBMJSYYKMGA-UHFFFAOYSA-N	320.312	1.556	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H]1CC(c2cccc(F)c2)=NO1	298883542	UNTFEFFFQZUACM-CYBMUJFWSA-N	307.325	1.512	50	20	DDGD	
CC(C)COc1ncccc1C(=O)NNc1ncncc1F	294151419	VDIMGBJMZXUPOR-UHFFFAOYSA-N	305.313	1.802	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)CCN2CCCCCC2)nn1	807955750	GAHVLQIHVBTMCS-UHFFFAOYSA-N	306.414	1.575	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)Nc1ccc(F)nc1	806356212	NHVYIGNXNUGPKH-UHFFFAOYSA-N	314.284	1.345	50	20	DDGD	
CCCN(CC)C[C@@H](C)NC(=O)NNC(=O)c1ccccc1F	292531009	PONPYLJYGJTQII-GFCCVEGCSA-N	324.400	1.890	50	20	DDGD	
Cc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)C(C)(C)C	298839164	FKWFAPZMLMIQOZ-UHFFFAOYSA-N	314.363	1.049	50	20	DDGD	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)N(C)C	299384511	PHDRSFUEMMOCKD-MRVPVSSYSA-N	312.351	1.378	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H](C)CCCCO)cc(C#N)n1C	295813104	BRYMEANEELRKKG-AZZDOICSSA-N	314.389	1.779	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@H]1CCc2ccccc2OC1	801055578	OTZLZHUDOVBVNV-AWEZNQCLSA-N	317.389	1.901	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1ccc([C@H]2CCOC2)cc1	297419172	OKFRIEJHEHAXEL-JSGCOSHPSA-N	319.361	1.522	50	20	DDGD	
CCOc1ccc(NNC(=O)c2ccccc2-n2cnnn2)cc1	817896139	PXTJZMDWIGAWOB-UHFFFAOYSA-N	324.344	1.818	50	20	DDGD	
CN(C)CCc1ccc(C(=O)NNC(=O)c2cccnc2)cc1	816817839	LIUQCPPYUYZTCR-UHFFFAOYSA-N	312.373	1.261	50	20	DDGD	
CCOc1cccc(NC(=O)C(=O)NNc2ncncc2F)c1	815764021	NGDNSBYSWNSBSE-UHFFFAOYSA-N	319.296	1.096	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)o1)c1ccc(-n2cnnn2)cc1	814755817	GJHHRTUJTBSPGA-UHFFFAOYSA-N	316.708	1.673	50	20	DDGD	
O=C(Cc1ccc(-n2cnnc2)cc1)NNC(=O)C1CCCC1	819096717	SOIXXDMCMPPLRJ-UHFFFAOYSA-N	313.361	1.147	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CCCC[C@H]1CCCO	814854240	FRCQOKMDQYGXLN-LBPRGKRZSA-N	311.426	1.726	50	20	DDGD	
CCc1c(C(=O)NNC(=O)C(C)C)nnn1Cc1ccccc1	817514031	WQISMUOYVDUSLG-UHFFFAOYSA-N	315.377	1.306	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1cccc(OCc2cscn2)c1	816632142	VSFPVHRTVOLJCH-UHFFFAOYSA-N	316.346	1.597	50	20	DDGD	
O=C(NNC(=O)C1CC(c2ccc(F)cc2)C1)c1ccnnc1	817695303	CPTUZMUTIWTTKE-UHFFFAOYSA-N	314.320	1.571	50	20	DDGD	
Cc1nn(C)c(N)c1C=NNC(=O)NCc1ccc(Cl)cc1	814848883	XGXSLUNXRVGIHS-UHFFFAOYSA-N	320.784	1.797	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)CSc1ccccc1O	814969089	JFRUBYUQCWDKAE-LLVKDONJSA-N	321.402	1.645	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)c2ccc(O)cc2)[C@]12CCCO2	819801255	FZTHXONZQAAYGG-GDBMZVCRSA-N	304.346	1.836	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1ccc(Cl)cc1)c1ccccc1F	813364464	SFZLHFLIJFMHMX-ZDUSSCGKSA-N	322.723	1.974	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2ccnc(N(C)C)c2)CC[C@@H]1C(=O)O	814844471	KOZXTOCJGJRJNF-MFKMUULPSA-N	318.377	1.754	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cnn2c1OCCC2	814251009	BCLSAIQTGDPTID-UHFFFAOYSA-N	300.318	1.049	50	20	DDGD	
C[C@@H]1CCC[C@H](CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)[C@@H]1C	826677244	KMSKEMKSTQABMF-DHGKCCLASA-N	311.426	1.814	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@@H]1[C@H]1CCCOC1)c1ccccc1	825582713	FFHNKLUDCJWYCD-LSDHHAIUSA-N	317.389	1.932	50	20	DDGD	
O=C1OCC[C@@H]1NS(=O)(=O)c1ccc(CCCCl)cc1	728292180	OUFLGZUBDDZORY-LBPRGKRZSA-N	317.794	1.452	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1ccccc1Br	496612539	DNHSBRLUIXFKHZ-UHFFFAOYSA-N	323.168	1.341	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H](C)OCCc1ccccc1	822193872	XLSHTPYWTDDUCH-LBPRGKRZSA-N	307.419	1.316	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCCc1ccccc1	825525863	JYLYLHYFOWJWAA-GXTWGEPZSA-N	305.378	1.375	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](C)c1ncc(C(=O)OC)s1	491163125	VNCOJPWEYPPICP-INTFFVIUSA-N	309.347	1.551	50	20	DDGD	
Cc1cccc2[nH]cc(CC(=O)NNC(=O)NCC3CC3)c12	728862512	VUUFCBRIDUMQOJ-UHFFFAOYSA-N	300.362	1.759	50	20	DDGD	
CCOC(=O)C[C@H](NC(=O)NN=c1cc[nH]cc1)C(F)(F)F	824769075	PNDAGGNHOCDFIP-VIFPVBQESA-N	320.271	1.014	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C1=CCCC1	494140253	BOCJIYBJATUGKO-UHFFFAOYSA-N	311.382	1.549	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNc1cc(Cl)nc(Cl)c1	496316515	YENXDLDLDDFLLS-YFKPBYRVSA-N	307.137	1.576	50	20	DDGD	
CCNC(=O)Nc1cccc(NC(=O)NNC(=O)OCC)c1C	496772236	LZCBFLYBZKQWIQ-UHFFFAOYSA-N	323.353	1.919	50	20	DDGD	
CO[C@H](C)C(C)=NNC(=O)CCCNC(=O)OC(C)(C)C	494297419	CPCKCBJDLWNNNG-LLVKDONJSA-N	301.387	1.818	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(F)c(Br)cc1F	823898549	ZXMNEKIFLMOQJS-UHFFFAOYSA-N	323.137	1.686	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cnn2ccccc12	826449244	JADUPBBKLJRFHO-UHFFFAOYSA-N	320.316	1.271	50	20	DDGD	
CC1=C(C(=O)NNC(=O)NC2CCCCC2)C(=O)OC1(C)C	727646108	JCKYRCZQNAKMOW-UHFFFAOYSA-N	309.366	1.301	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(c2cccc(F)n2)CC1	491007043	FGKHSPFCDNSEHM-VAWYXSNFSA-N	304.325	1.313	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C\c1c(Br)c(C)nn1C	491006556	DQKYOXDNUUHJER-TWGQIWQCSA-N	309.167	1.700	50	20	DDGD	
CSSCCNC(=O)NC1CN(C(=O)OC(C)(C)C)C1	495643839	FIEOWUIRHYYJPK-UHFFFAOYSA-N	321.468	1.916	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@]2(C)CCNC2=O)cc1C	823067506	LMJABKSBLFDOPO-MRXNPFEDSA-N	319.361	1.141	50	20	DDGD	
COC1(CNC(=O)/C(C#N)=C/c2cnn(C)c2)CCCCC1	490973713	LXWAWVBOPYSBHO-RIYZIHGNSA-N	302.378	1.793	50	20	DDGD	
CC(C)c1ccccc1NC(=S)NNC(=O)[C@H]1C[C@@H]1C(=O)O	736523473	RTJJCWZKJCUXPG-QWRGUYRKSA-N	321.402	1.848	50	20	DDGD	
C[C@]1(C(=O)NNc2cc(Cl)nc(N)n2)C[C@H]1Br	907305840	FUEOTHAYWMYXDC-MOFOKWOHSA-N	320.578	1.329	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NCB(O)O)cc(C(C)(C)C)c1O	585061984	ARCZMOQHCCQLKE-UHFFFAOYSA-N	307.199	1.729	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(OC)c(Br)c1	495694041	WTCDPYBOJPLXIN-UHFFFAOYSA-N	317.139	1.801	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(N2CCOC2=O)cc1	494361868	FLZIYEVWGRQTSK-UHFFFAOYSA-N	308.294	1.426	50	20	DDGD	
CCOCCOCCN(C)C(=O)[C@]1(C)C[C@H]1Br	907655451	ZYRKIVCLWNKQSQ-ZYHUDNBSSA-N	308.216	1.671	50	20	DDGD	
COc1cc(C)cc(C(=O)NNC(=O)Cc2cccnc2)c1O	730285582	YPPMFRKTJLGMBF-UHFFFAOYSA-N	315.329	1.108	50	20	DDGD	
CC[C@H](Cc1cccc(Br)c1)C(=O)NCB(O)O	585059349	KAYHNOCXXRWCCF-SNVBAGLBSA-N	313.988	1.146	50	20	DDGD	
O=C(NN=C1CCN(CCN2CCOCC2)CC1)C1CCCC1	731559377	YOPAUXIODUJUJT-UHFFFAOYSA-N	322.453	1.077	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc2c(c1)CCCC2=O	836710293	QPUFJXINLRWNOJ-UHFFFAOYSA-N	304.350	1.903	50	20	DDGD	
CSc1cc(CNC(=O)NNC(=O)[C@@H]2CCCCO2)ccn1	836383916	ICIWMWYHRVDDIG-NSHDSACASA-N	324.406	1.203	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc2c(c1)CN(CC(F)F)C2	836625943	WMXKLUBRRNZOPZ-UHFFFAOYSA-N	312.320	1.830	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@H]2CCN(C)[C@H]2C1	834310224	HQBSHNHMCMSPOL-OLZOCXBDSA-N	310.829	1.515	50	20	DDGD	
O=C(CCCn1cccn1)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	739242944	FWJQXPRSNYFCMC-UHFFFAOYSA-N	319.273	1.875	50	20	DDGD	
CCCNC(=O)CCCC(=O)NN(C)C(=O)OC(C)(C)C	496603209	JGVSAFXMXPWYHO-UHFFFAOYSA-N	301.387	1.581	50	20	DDGD	
Cc1cccc(C)c1OC[C@H](C)NCc1ccc(B(O)O)o1	585019753	QULKDZZTUCAWHU-ZDUSSCGKSA-N	303.167	1.133	50	20	DDGD	
CN(C)c1ncc(/C=C(/C#N)C(=O)NC2CCCCC2)n1C	490972384	KBZZQOWRZPGFLF-XFXZXTDPSA-N	301.394	1.842	50	20	DDGD	
CCOC(=O)[C@@H](NNC(=O)C1CCOCC1)c1ccccc1	905816722	SECUTBGHBNNDAD-AWEZNQCLSA-N	306.362	1.338	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1cncc(Cl)n1)C(F)(F)F	733661156	RTHPNMBYLNHKHL-YFKPBYRVSA-N	313.667	1.333	50	20	DDGD	
O=C(NCB(O)O)C1(c2ccc(Cl)c(Cl)c2)CCC1	585059376	LHZWLWVJJWPDPN-UHFFFAOYSA-N	301.966	1.543	50	20	DDGD	
CCOc1ccc(Cl)c(NC(=O)NNC(=O)COC)c1	836719923	DLCJICAFDSKHQW-UHFFFAOYSA-N	301.730	1.538	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@H]1CCc2c[nH]nc2C1	838513098	DOSVRUOIUFTSAZ-VIFPVBQESA-N	308.292	1.267	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCc1ccc(C(=O)O)cc1	736998054	CQZKMTRHKRFCBA-UHFFFAOYSA-N	307.350	1.448	50	20	DDGD	
CC[C@@H]1C[C@H]1CNC(=O)NNC(=O)COc1ccccc1C#N	838665546	OTIAUHPCPUIPNQ-YPMHNXCESA-N	316.361	1.314	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1ccc(C#N)cn1	732301915	NOOXECFSNRJGCJ-UHFFFAOYSA-N	316.342	1.114	50	20	DDGD	
C[C@H]1CC[C@H](c2ccccc2)N(C(=O)c2ccc(B(O)O)cc2)C1	584988414	MZAYTAUJOYZQAQ-KBXCAEBGSA-N	323.201	1.980	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCn2cccc2[C@H]1C	731848746	KASDQIGSKGGNAG-OLZOCXBDSA-N	306.410	1.447	50	20	DDGD	
O=C(Cc1ccccc1F)NN=Cc1ccc(O)c(O)c1O	731321328	GGVPZOXEDIQHQR-UHFFFAOYSA-N	304.277	1.635	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(-c2nn[nH]n2)c1)c1cccnc1	737194482	LXDCMJPOHHQGPG-JTQLQIEISA-N	324.348	1.649	50	20	DDGD	
Cc1nc(-c2ccccc2)ncc1C(=O)N1CC[C@@H](B(O)O)C1	585063966	ALMBFOXZKHBESA-CYBMUJFWSA-N	311.150	1.141	50	20	DDGD	
C=CCC1(CNC(=O)NNC(=O)c2cnn(C)c2)CCCC1	836634372	FCLSUURRMKWLNB-UHFFFAOYSA-N	305.382	1.501	50	20	DDGD	
OB(O)c1ccccc1CN[C@H]1CCC[C@H]1Oc1ccccc1	585022863	BNCKNVFBHNFISK-ZWKOTPCHSA-N	311.190	1.456	50	20	DDGD	
CC(C)(CC(=O)O)CC(=O)NNc1nc(O)c2ccccc2n1	833455536	HNUFXTRCIVTCQX-UHFFFAOYSA-N	318.333	1.670	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2cc(Cl)ccc2[N+](=O)[O-])cn1	739410817	BUQMRENSOQWCOI-UHFFFAOYSA-N	307.697	1.746	50	20	DDGD	
O=C(NNC(=O)c1ccc(-c2cnco2)cc1)c1ccncc1	917390102	GTTBVQCAPQGJFP-UHFFFAOYSA-N	308.297	1.811	50	20	DDGD	
CO[C@@H]1CCN(C(=O)NNC(=O)c2ccc(C#N)cc2)C[C@@H]1C	836266630	ZTUWLHGERGTJKQ-SMDDNHRTSA-N	316.361	1.269	50	20	DDGD	
CC(C)(C)NC(=O)CCNC(=O)NNc1cccc(C(=O)O)c1	833431816	WMKGSHLWMXWDNN-UHFFFAOYSA-N	322.365	1.316	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNc1ccc(F)c(C(=O)OC)c1	838486510	RCMTYPBDTBFMRB-VIFPVBQESA-N	313.329	1.663	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)[C@@H]1CCCCO1	833242719	NGBVEISUHTWRSU-RDBSUJKOSA-N	312.410	1.688	50	20	DDGD	
CC(=NNC(=O)NCC(F)(F)F)c1ccc2nc(O)[nH]c2c1	917551344	IWKXJABHKYABST-UHFFFAOYSA-N	315.255	1.854	50	20	DDGD	
COC[C@]1(CO)CCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C1	832390571	XLSKDYIBVXKALQ-HSUWOCHWSA-N	317.345	1.790	50	20	DDGD	
CCNC(=O)COc1ccc(C=NNC(=O)CC)cc1OC	915915600	FRUPYQBXOFDZMO-UHFFFAOYSA-N	307.350	1.070	50	20	DDGD	
COCCN(C)CCNC(=O)NNc1ccc(Cl)cc1F	916332015	PUFKWLXACODDKR-UHFFFAOYSA-N	318.780	1.683	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCC2(N)CCC2)cc1F	841967169	OGILOEBSPROTII-UHFFFAOYSA-N	310.329	1.120	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C[C@H](c1nccn1C)C(F)(F)F	847687385	OQDNMAVWJGJYAQ-MRVPVSSYSA-N	321.303	1.149	50	20	DDGD	
C[C@@H]1O[C@H](C)C[C@@H]1CNC(=O)NNC(=O)Cc1ccc(F)cc1	840435622	MECUHYCQEDMMQG-NTZNESFSSA-N	323.368	1.512	50	20	DDGD	
CC[C@@H](CNC(=O)NNc1ncc(Br)cn1)OC	847374170	TYPSKZLLVIJSAH-QMMMGPOBSA-N	318.175	1.290	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)[C@H]1CCn2ccnc2C1	749238624	AWSXBNKTKCITPB-NSHDSACASA-N	308.345	1.532	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)OCc2cn(C(C)(C)C)nn2)cn1	849791225	GJIGFRVKBOAWGB-LFYBBSHMSA-N	314.349	1.417	50	20	DDGD	
CN(C)C(=O)[C@@H](NNC(=O)[C@H]1CCCCO1)c1ccccc1	842150624	IJGAJNUFOLTBNT-KGLIPLIRSA-N	305.378	1.006	50	20	DDGD	
CO[C@]1(C(=O)O)CCN(C(=O)[C@@H](Br)C(C)(C)C)C1	910219654	PBTLEAXSZOOYKH-PRHODGIISA-N	322.199	1.498	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(C#N)c(Cl)c1	843654395	FSZFTBITOBFDLX-KWQFWETISA-N	307.737	1.398	50	20	DDGD	
O=C(CC1(Cn2cnnn2)CCCCC1)NCC(Cl)Cl	846146900	SRFOEPJYFRMFSK-UHFFFAOYSA-N	320.224	1.934	50	20	DDGD	
COC[C@@H](C)CC(=O)Nc1cccc(NC(=O)NN(C)C)c1	843870402	DZWJQXJZHPORHV-NSHDSACASA-N	308.382	1.896	50	20	DDGD	
CC[C@H](N)CNC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	842008331	UGETYSHMQXHHOO-ZZTKBFGJSA-N	322.453	1.661	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H](C[C@@H]1CCCO1)C(F)(F)F	846228616	PABYDSYLNAVTII-UWVGGRQHSA-N	308.300	1.682	50	20	DDGD	
O=C(NNC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)c1ncccn1	841350356	JYVPUXFUXWVSJF-CHISNJGVSA-N	318.352	1.546	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCc1cc(Br)cs1	910167098	HRYZULKDFQNKKJ-MRVPVSSYSA-N	321.240	1.787	50	20	DDGD	
CC(=O)NNC(=S)NCc1ccc(OC(F)(F)F)cc1	742975715	QOSGFZJHSVZOGG-UHFFFAOYSA-N	307.297	1.600	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2cn(C)c3ccccc23)c2ncnn21	841616862	QLLNJHRMEVNIBW-JTQLQIEISA-N	308.345	1.869	50	20	DDGD	
COc1c(C)cnc(CNC(=O)NNC(=O)CC(C)C)c1C	747861678	YLBHEQDVLYICRM-UHFFFAOYSA-N	308.382	1.584	50	20	DDGD	
CN(C)CCn1ccc(C(=O)NNc2c(F)cccc2F)n1	847602317	XNFVWRGPTRFLBK-UHFFFAOYSA-N	309.320	1.480	50	20	DDGD	
O=C(COC[C@H]1CCCO1)NNc1cccc2cnccc12	748773284	JADUNGWFXLEJHD-CYBMUJFWSA-N	301.346	1.874	50	20	DDGD	
Cc1cc(NC(=O)NN)nn1CCCOc1ccc(F)cc1	841166895	CQAGDICMSHVMMN-UHFFFAOYSA-N	307.329	1.795	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])[C@@H]1COc2ccccc2O1	920957542	OYYMOTSLYBZSEZ-LBPRGKRZSA-N	316.273	1.273	50	20	DDGD	
Nc1ccc2c(c1)CCC[C@H]2NC(=O)NNC(=O)C1CCC1	841977183	AQSSGLQLTMNCPZ-CQSZACIVSA-N	302.378	1.777	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(C(F)(F)F)s1	843657773	RVZLBBXGLUAYNJ-BQBZGAKWSA-N	322.308	1.953	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@@H]1CCCN2CCCC[C@H]12	848508662	PIQQHNZKZHJRJB-CHWSQXEVSA-N	308.875	1.942	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1c(F)cc(C#N)cc1F	843651179	AFUCJRUJNVDSNR-VXNVDRBHSA-N	309.272	1.022	50	20	DDGD	
CCOC1CCC(=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)CC1	853391893	ZHSFLGAAKRXGCZ-LOWNFYCTSA-N	309.410	1.301	50	20	DDGD	
CCNC(=O)NN=Cc1c(Cl)cccc1N1CCN(C)CC1	920825528	SKNJWWVRWNXDPF-UHFFFAOYSA-N	323.828	1.745	50	20	DDGD	
Cn1nc(C(F)(F)F)cc1C=NNC(=O)[C@H]1CCCCO1	853353085	PTXDYLWFXQYCDA-SECBINFHSA-N	304.272	1.458	50	20	DDGD	
O=C(NNC(=O)c1cc2occc2[nH]1)c1ccc2c(c1)OCO2	750828465	XTUAVJZAPYHARZ-UHFFFAOYSA-N	313.269	1.564	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H](C)[C@@H]1OCCc2sccc21	854920686	HBFKKVRHSHYGQD-KWQFWETISA-N	313.448	1.465	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1cccc(N(C)C)c1)C1CC1	920054511	QTMBSHQEVGSIDL-NSHDSACASA-N	304.394	1.743	50	20	DDGD	
Cc1ccccc1[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)C1CC1	858704307	HKJQGYJDVFOAQV-AWEZNQCLSA-N	313.361	1.813	50	20	DDGD	
CC(=NNC(=O)c1cc[nH]n1)c1ccc2c(c1)CCC(=O)N2C	853391983	GEYDBWKCAJFOAW-UHFFFAOYSA-N	311.345	1.473	50	20	DDGD	
CC(=NNC(=O)c1nnc(O)c2ccccc12)c1nccn1C	755547361	XEWBINLDAKFXAO-UHFFFAOYSA-N	310.317	1.223	50	20	DDGD	
O=C(NCCOCC(F)(F)F)NNc1ccc(Cl)cn1	851972398	NTNYSRXUWZUXJB-UHFFFAOYSA-N	312.679	1.940	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@H]1Cc2ccccc2S1	920857712	OYYWLKWGERWSAS-CYBMUJFWSA-N	317.370	1.827	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H](C)Sc1ccc(OC)cc1	854926035	SUNNWTUWXXPWSF-SECBINFHSA-N	313.448	1.643	50	20	DDGD	
CCc1nn(C)cc1NC(=O)C(=O)NNc1ccc(C)c(F)c1	850704610	KGTJSJIHYOWJTB-UHFFFAOYSA-N	319.340	1.512	50	20	DDGD	
O=C(Cc1ccc2n[nH]cc2c1)NNC(=S)NCC1CCC1	855090492	XQTCZDPKLAUVGF-UHFFFAOYSA-N	317.418	1.401	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cccc([S@@](C)=O)c2)o1	756524375	HSTQVRZMARGTJN-JOCHJYFZSA-N	321.358	1.792	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNC(=O)c1ccc(Cl)cc1O	757370932	MXHGHTKNXIWOBD-UHFFFAOYSA-N	322.752	1.471	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)c1	857148889	KRILWIVMZZRZJM-SFHVURJKSA-N	324.384	1.681	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)Cc1cc(C)ccc1C	854281263	RVJPHIMCBOEMAF-UHFFFAOYSA-N	323.462	1.720	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cccc(N(C)C)c2)nn1C	757752347	AAXPGGDLWCYVJR-UHFFFAOYSA-N	316.365	1.261	50	20	DDGD	
NC(=O)C1(C(=O)OC[C@H](CBr)C2CC2)CCC1	859657445	GONJIRDERSYFKJ-VIFPVBQESA-N	304.184	1.606	50	20	DDGD	
C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1Br	857733674	MJFVQDMGFAAKTL-GMSGAONNSA-N	302.128	1.826	50	20	DDGD	
CCn1nccc1C=NNC(=O)[C@H](C)Oc1ccccc1F	753691141	RHFZKPVNONWURB-NSHDSACASA-N	304.325	1.960	50	20	DDGD	
CNC(=S)N(C)NC(=O)C1CCN(Cc2ccccc2)CC1	854926028	QANOAXRMRYVQJL-UHFFFAOYSA-N	320.462	1.366	50	20	DDGD	
CO[C@H](CNC(=O)NC[C@@]1(C)C[C@@H]1Br)C1CC1	856859923	VDUFBJYTULLBCB-JFGNBEQYSA-N	305.216	1.884	50	20	DDGD	
C[C@]1(CNC(=O)NCC(F)(F)CO)C[C@H]1Br	856952975	NIVUQJKRWLEQMD-HTRCEHHLSA-N	301.131	1.087	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CNc2ccccc2)c(C(F)F)n1	755225569	GJAVTMQVPUTYFL-UHFFFAOYSA-N	323.303	1.231	50	20	DDGD	
CCC(CC)(CNC(=O)NNc1ccc(F)cn1)C(=O)OC	752223326	VRMKFPKMLIRHTK-UHFFFAOYSA-N	312.345	1.826	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2	754676277	QVJGXBDYJMTUDB-JHJVBQTASA-N	307.394	1.465	50	20	DDGD	
CCCN(C(=O)NC[C@]1(C)C[C@@H]1Br)[C@@H]1CCNC1	857105605	NVQGSRAMRWRXOV-MDZLAQPJSA-N	318.259	1.943	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=S)NCCc2cccs2)o1	754216731	BIVZQSHXCUWESG-UHFFFAOYSA-N	323.443	1.930	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNC(=O)c2cccc(F)n2)cn1	856427399	WJSPFNPEUCLHKO-UHFFFAOYSA-N	317.324	1.383	50	20	DDGD	
CCC[C@@H](O)CC(=O)NNC(=O)c1cc(Br)c[nH]1	750091323	JFDKOGRKEQAKFK-MRVPVSSYSA-N	318.171	1.089	50	20	DDGD	
N#CCOc1cccc(NC(=O)NNC(=O)c2cccnc2)c1	755933174	OZYGIFDCWKIQGZ-UHFFFAOYSA-N	311.301	1.450	50	20	DDGD	
Cc1nn(CC(=O)NNC(=O)C2CCCC2)c2ncccc12	930133080	CUSXVPBNGWHZAR-UHFFFAOYSA-N	301.350	1.077	50	20	DDGD	
Cc1ccccc1[C@@H](C)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	936039182	JWZANXSSXYOGBE-KGLIPLIRSA-N	324.446	1.591	50	20	DDGD	
Cc1cccc(-n2cc(C(=O)NNC(=O)C3CCCC3)nn2)c1	751080965	NXMIAHQHYNUPPL-UHFFFAOYSA-N	313.361	1.527	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccn(CC(F)(F)F)n1	930484183	BWEQLQJFASAUDC-UHFFFAOYSA-N	317.271	1.402	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cc3n(n2)CCCO3)c1	762257645	LBCVZXNXESHKAZ-UHFFFAOYSA-N	316.317	1.209	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cccc(-n3cccn3)c2)n[nH]1	760238817	DTVRVLZKUJMTBK-UHFFFAOYSA-N	308.345	1.597	50	20	DDGD	
C[C@@H](NS(=O)(=O)CC(C)(C)CCl)C(=O)NC(C)(C)C	866595031	USKDHOGPLFLVHN-SECBINFHSA-N	312.863	1.474	50	20	DDGD	
CCC[C@H]1C(=O)NCCN1C(=O)[C@H](Br)C(C)(C)C	768367146	CZFCKRNIKXOFQK-UWVGGRQHSA-N	319.243	1.923	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H](C)OCc1cccc(C)c1	864458255	YZYVPLQNWBKGII-LBPRGKRZSA-N	307.419	1.581	50	20	DDGD	
COCC(=O)NN=C(C)CCCOc1ccccc1C(N)=O	761819659	YHOSPGBOCROQOE-UHFFFAOYSA-N	307.350	1.083	50	20	DDGD	
C[C@@H](NNC(=O)c1cc2ccccc2c(=O)n1C)C(F)(F)F	862320191	PQTNUQIKGKHAJR-MRVPVSSYSA-N	313.279	1.724	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CC(C)(C)O2	763817018	WIYCNUNALYVIDP-UHFFFAOYSA-N	319.361	1.142	50	20	DDGD	
COC[C@@](C)(NC(=O)NNC(=O)CC(C)(C)C)C(F)(F)F	932330084	IBFDYTPMDMKYSU-LLVKDONJSA-N	313.320	1.720	50	20	DDGD	
C[C@@H](NNC(=O)c1cccc(N2CCCC2=O)c1)C(F)(F)F	862305262	LLYUTENUWPXDLY-SECBINFHSA-N	315.295	1.999	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnc([C@@H]2CCCO2)s1	760371871	NAXBLSAJPGYDRL-QMMMGPOBSA-N	312.420	1.290	50	20	DDGD	
CN(C)C(=O)NCCN(C)C(=O)[C@@H](Br)C(C)(C)C	768380280	WISLRJUIQUXRNQ-SECBINFHSA-N	322.247	1.526	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CCN3CCC[C@H]23)cc1	765570200	RFNOXJBEVSXMBR-CQSZACIVSA-N	300.362	1.274	50	20	DDGD	
NC(=O)C1(C(=O)NNc2ccc(OC(F)(F)F)cc2)CC1	761590546	BGFDAEIBRVJGAH-UHFFFAOYSA-N	303.240	1.294	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1c(OC)cc(F)cc1OC	865215125	JTRNMLGWZMRDQR-XFFZJAGNSA-N	322.336	1.903	50	20	DDGD	
Cc1cc(C(=O)NN=C2C(=O)Nc3ccc(C(C)C)cc32)n[nH]1	764793626	PUIGFRLCAXFODD-UHFFFAOYSA-N	311.345	1.928	50	20	DDGD	
O=C(CSc1ccccc1Cl)NNC(=O)[C@H]1CCOC1	769776806	GUPOODHOSGMFEY-VIFPVBQESA-N	314.794	1.616	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1cccc(N2CCCCC2)c1	765376448	QFBPHCJPRUFISS-UHFFFAOYSA-N	320.349	1.003	50	20	DDGD	
COc1nccnc1NNC(=O)CSc1ccc(C#N)cc1	764461320	ZCLHOHLIKQPNMX-UHFFFAOYSA-N	315.358	1.592	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@H](O)c2cccnc2)c1	768701791	UADGSQYXQSEVHZ-GFCCVEGCSA-N	303.709	1.178	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)COC(C)(C)C	873769387	QBMSBQNJZDVCIT-UHFFFAOYSA-N	311.407	1.828	50	20	DDGD	
CCc1cnccc1CNC(=O)NNC(=O)c1ccccc1O	779409230	IPMZALGPLVLQBJ-UHFFFAOYSA-N	314.345	1.494	50	20	DDGD	
Cc1cc(=NNC(=O)NCCC(=O)N2CCCCCC2)cc[nH]1	875183818	IXSIYMNJPSKTGW-UHFFFAOYSA-N	319.409	1.231	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C)c(Cl)c1	772092216	UAJQIMRKVDBBFT-VIFPVBQESA-N	312.753	1.751	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cnn(C2CCCC2)c1	872340008	IVHHMIHLJYQXLH-SNVBAGLBSA-N	314.411	1.354	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@H]2C(C)C)c1	777562989	JQKCPACFZLRELV-HNNXBMFYSA-N	303.406	1.876	50	20	DDGD	
CC(C)[C@@H](C(=O)NCCCSC#N)N1C[C@H](C)O[C@H](C)C1	773587573	JAPAZFMIJZQXJA-MJBXVCDLSA-N	313.467	1.841	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)c1ccc(-n2cncn2)nc1	778446614	WBVGVEFGDQBLGI-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=S)Nc1ccccc1OC	873770421	LLSOJDGRQCBIGY-PWSUYJOCSA-N	321.402	1.604	50	20	DDGD	
COC(=O)[C@@H](COC(C)C)N(C)C[C@@H](C)CBr	770657104	NWRWRIIDKQSPDH-WDEREUQCSA-N	310.232	1.916	50	20	DDGD	
CO[C@@H](C)CC(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	772956236	WIJZNHKHXJEZAY-VHSXEESVSA-N	314.769	1.680	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)[C@H](F)Cc1ccccc1	778505625	HHMYXXCIIXYDFL-SNVBAGLBSA-N	300.297	1.377	50	20	DDGD	
C[C@@H]([C@H](C)C(=O)NNc1cc(F)ccc1F)S(C)(=O)=O	885142464	BUWPDKURGSWMNZ-YUMQZZPRSA-N	306.334	1.477	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cc([N+](=O)[O-])cnc1N	772853896	LOVAYWWVBCYKPL-UHFFFAOYSA-N	317.309	1.242	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc2c1CCC2	772046415	VMESAOXGGZYFGO-SNVBAGLBSA-N	304.346	1.278	50	20	DDGD	
CC(C)[C@@H]1CCC[C@H](NC(=O)NNC(=O)c2cccnn2)C1	883325668	HYKNIVUIXNMQHY-NEPJUHHUSA-N	305.382	1.635	50	20	DDGD	
Cc1ccc2nnc(CNS(=O)(=O)CCCCl)n2c1	882270208	GXBLNIYOKUBOKB-UHFFFAOYSA-N	302.787	1.086	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCOc1ccc(C=O)cc1	887143287	SNVAZICADVHVPE-UHFFFAOYSA-N	302.330	1.219	50	20	DDGD	
N#Cc1ccc(NNC(=O)NCCSC(F)(F)F)nc1	887821656	CMNGMMKQSIZSBC-UHFFFAOYSA-N	305.285	1.832	50	20	DDGD	
Cc1nnc(CNC(=O)NNC(=O)Cc2ccccc2F)s1	780049045	WZBVZXOKMPQWJT-UHFFFAOYSA-N	323.353	1.059	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCC(=O)[C@@H](C)C1(C)C	780627827	IVODSLHXSATMAS-KCJUWKMLSA-N	306.366	1.121	50	20	DDGD	
Cc1cncc(NC(=O)C(=O)NNc2ccc(F)c(F)c2F)c1	784806731	KXHQZTQWCHFZKQ-UHFFFAOYSA-N	324.262	1.889	50	20	DDGD	
O=C(NNS(=O)(=O)C1=Cc2ccccc2OC1)C1CCCC1	788740746	CSHSLONACLQNKJ-UHFFFAOYSA-N	322.386	1.561	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=O)NC1CCCCC1	780158286	CKRQJPBZQVDWMZ-JHJVBQTASA-N	310.442	1.911	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)c1cnc(-c2ccccc2)nc1	780366727	NXGPDDNKHMHNMD-UHFFFAOYSA-N	320.374	1.109	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=S)NC(C)(C)C	783776305	BBUPHZDFJPBBKC-QMMMGPOBSA-N	318.443	1.193	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1nc2c(s1)CCC2	789718657	AKUCXNKZNIFFCF-UHFFFAOYSA-N	302.359	1.714	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2cnc(C)n2C)cc1	899954672	IUCPVOOKVLJJQD-UHFFFAOYSA-N	318.402	1.590	50	20	DDGD	
CC(C)[C@H](F)C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1	784155381	MBYOSFHZJGSICF-NSHDSACASA-N	310.354	1.893	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2	785410023	QELJNYZPVXDENT-DOLQZWNJSA-N	323.315	1.473	50	20	DDGD	
COC(C)(C)CC(=O)NNc1ccccc1S(C)(=O)=O	787439800	LQBPGAOLFAKAJA-UHFFFAOYSA-N	300.380	1.348	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CC[C@](F)(C#N)C2)cc(C#N)n1C	787377260	KCQGKOXQKWSFKE-RBBXRFMQSA-N	311.320	1.576	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CC[C@@H](C)C2)cc1	780801571	XRGYPZMUZBYEOH-CHWSQXEVSA-N	305.378	1.893	50	20	DDGD	
CO[C@@H](C)CCC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	782289558	KKUXHWHFRPHCEJ-LBPRGKRZSA-N	316.361	1.448	50	20	DDGD	
CCC1(C=NNC(=O)CNC(=O)c2cccnc2)CCOCC1	781125797	UGYIDEPTSVISOD-UHFFFAOYSA-N	318.377	1.120	50	20	DDGD	
C[C@H]1CN(C)C(=O)CN1C(=O)[C@@H](Br)C(C)(C)C	783761763	GQQNSLHPCQXLAO-WCBMZHEXSA-N	305.216	1.485	50	20	DDGD	
O=C(CCc1cnccn1)NNC(=O)c1cccc2ncccc12	793456518	UNXJIGVYTZHNQS-UHFFFAOYSA-N	321.340	1.419	50	20	DDGD	
Cc1cccc(C(=O)NNS(=O)(=O)c2ccccc2F)n1	794599850	RBUMHTMBKODMGZ-UHFFFAOYSA-N	309.322	1.152	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H](C)CCC(=O)OC(C)C)n1	793150426	JSNTUJLMOBJPOM-LLVKDONJSA-N	324.381	1.837	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2CC(C)(C)C2)cc1C	794618720	MKUZCQUONRGVAI-UHFFFAOYSA-N	317.389	1.826	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCC(C)CC1)c1cc(C)n(C)n1	799872573	AOWIKBKGEBRKAI-CYBMUJFWSA-N	319.453	1.937	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(S(N)(=O)=O)cc1	798335691	RLUKVVSOZLNWCJ-UHFFFAOYSA-N	323.349	1.538	50	20	DDGD	
N#Cc1ccc(C[C@@H](C#N)C(=O)NNC(=O)c2ccccn2)cc1	792006331	RQLMASVWGOBVQH-AWEZNQCLSA-N	319.324	1.097	50	20	DDGD	
CC[C@@H]1CC[C@@H](C)CC1=NNC(=O)[C@@H]1CCS(=O)(=O)C1	797401069	ZLFFWBZBTGSTHY-IJLUTSLNSA-N	300.424	1.740	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)c1ccc(C#N)o1	794233226	BGDPLEJJDHTCCV-UHFFFAOYSA-N	316.342	1.791	50	20	DDGD	
CC(=O)Nc1ccccc1C=NNC(=O)c1ccc(O)c(O)c1	794556443	ZTQLFKZTRUWDJC-UHFFFAOYSA-N	313.313	1.820	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(C(N)=O)nn1)c1ccc(F)c(F)c1	1319143057	QHTUZFYSTDTILA-ZETCQYMHSA-N	321.287	1.101	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCNC(=O)C(C)(C)C)cc1	1317768599	FRPNMXYAVWIEDP-UHFFFAOYSA-N	321.377	1.009	50	20	DDGD	
COC(=O)C(=O)NNC(=S)Nc1cccc(C(F)(F)F)c1	1323496927	RYQKGKKWOHMQCV-UHFFFAOYSA-N	321.280	1.196	50	20	DDGD	
O=C(C[n+]1ccccc1)NN/C=C1/C(=O)C=CC(Cl)=C1F	1322445671	KQLOZMOYGSLTQB-UHFFFAOYSA-O	308.720	1.038	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCC[C@H]1OC	1335949457	CYFKYWMEVIBHPE-VXGBXAGGSA-N	322.361	1.037	50	20	DDGD	
CN(C)c1cccc(Cl)c1C=NNC(=O)CN1CCCC1=O	1253805917	VQTYOUFSPJMKLJ-UHFFFAOYSA-N	322.796	1.479	50	20	DDGD	
CN(C)[C@H]1CCCC[C@H]1NC(=O)NNc1ncc(F)cc1F	1330848057	VFZDXOAERKNMRM-NEPJUHHUSA-N	313.352	1.859	50	20	DDGD	
CO[C@]1(C(=O)NNc2ccc(C(C)(C)C)nn2)CCSC1	1332754728	JUCVZHALRQMEEB-CQSZACIVSA-N	310.423	1.739	50	20	DDGD	
Cc1ccc2c(c1)[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)CO2	1332077367	DYCNALVNZGLXRJ-NTZNESFSSA-N	319.361	1.184	50	20	DDGD	
CC[C@H](NCc1ccccc1B(O)O)c1cc(F)ccc1OC	1335559011	GEXRDNVGLWBURO-INIZCTEOSA-N	317.169	1.755	50	20	DDGD	
CO[C@H]1CCC[C@@H]1C(=O)NNc1ncc(Br)cn1	1262630934	OTTQZDVUYXXANX-IUCAKERBSA-N	315.171	1.497	50	20	DDGD	
CCC1(CNC(=O)C(=O)NC[C@]2(C)C[C@@H]2Br)CC1	1261766579	KSFVWLVKWWSWOT-CABZTGNLSA-N	317.227	1.583	50	20	DDGD	
CN(C)Cc1cc(C(=O)NN=c2cc[nH]c3ccccc23)no1	1347989394	PUPDLFCXWBFHSX-UHFFFAOYSA-N	311.345	1.463	50	20	DDGD	
CC[C@@H](C)C(=O)NN=Cc1c(F)cc(-c2nn[nH]n2)cc1F	1603994580	FEAAMHCYQGQJTB-SSDOTTSWSA-N	308.292	1.641	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)O[C@H](C(=O)O)C2CC2)cc(C#N)n1C	1607523950	AKDXEUOORQFRCA-VDFGQWLZSA-N	313.313	1.519	50	20	DDGD	
O=C(Cc1ncccc1F)NNc1cccc(F)c1C(=O)O	1608371647	QHCKNTWTIBYJEU-UHFFFAOYSA-N	307.256	1.744	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc(F)cc(C(=O)O)c2)n1	1600512266	HOOUNGPLXQGLHU-UHFFFAOYSA-N	317.276	1.302	50	20	DDGD	
O=C(O)C12CC(C(=O)NNc3nccc4sccc34)(C1)C2	1608582449	IVDMERIOQHCQIL-UHFFFAOYSA-N	303.343	1.994	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2C[C@H]2C(C)C)o1	1603407207	QOLZVRKNDWWNMN-DTWKUNHWSA-N	319.369	1.713	50	20	DDGD	
O=C(Cc1cnn2ccccc12)NNc1cccc(C(=O)O)c1	1601374381	QGQJZXMMEHMSRM-UHFFFAOYSA-N	310.313	1.718	50	20	DDGD	
O=C(CCCn1ccc(C(=O)O)n1)NNc1ccnc(F)c1	1601273847	XQNZQMLECGMBKL-UHFFFAOYSA-N	307.285	1.039	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)NCCc2nccs2)cc1	1608781264	VOANLWWFWRJMIN-UHFFFAOYSA-N	320.374	1.639	50	20	DDGD	
COC(=O)CCN(CC(=O)O)C[C@H](CBr)C1CC1	1604310925	HZJMGBIIMIXHDT-JTQLQIEISA-N	322.199	1.357	50	20	DDGD	
O=C(CCl)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)O)c1	1608324591	PWMQERLDVGHYMC-GFCCVEGCSA-N	324.764	1.943	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2cccc(F)c2C(=O)O)CCN1C	1607479687	ANFVGPNOASVYSP-UWVGGRQHSA-N	309.341	1.697	50	20	DDGD	
O=C(O)[C@H](NS(=O)(=O)CCCCCl)c1ccccc1F	1610718859	GLAXBIBUQNEXBW-LLVKDONJSA-N	323.773	1.890	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCC(=O)CCC(=O)O	1610618711	LENSVGITDDNXOT-YRNVUSSQSA-N	303.270	1.276	50	20	DDGD	
CS(=O)(=O)NCCN(C(=O)C1CCC(Cl)CC1)C1CC1	1548700888	VBEIGWNANMFXHG-UHFFFAOYSA-N	322.858	1.324	50	20	DDGD	
C[C@H](O[C@H]1CS(=O)(=O)C[C@@H]1Br)C(F)(F)F	158480668	DHJZGHQIXFVJGO-ZLUOBGJFSA-N	311.119	1.514	50	20	DDGD	
CC(=NNC(=O)c1ccc(O)nc1)c1ccnn1CC1CCC1	1553287201	AIIRGVVGIMLNMY-UHFFFAOYSA-N	313.361	1.938	50	20	DDGD	
CC[C@@H](C)C[C@@H](N)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	1576984586	ZDXXTMOCVJQQDS-QMTHXVAHSA-N	323.393	1.228	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]2CC[C@H]1NC2)c1cccc(Cl)c1	1580733525	XEDPNMSRDCSRGP-JIMOISOXSA-N	307.781	1.489	50	20	DDGD	
O=C(NNc1nc2cccnc2s1)[C@H]1CC[C@@H](C2CC2)N1	1580742933	KKNUKNOIBVJIQM-VHSXEESVSA-N	303.391	1.665	50	20	DDGD	
N[C@H]1CC[C@H](C(=O)NNc2ccc3c(=O)[nH]ccc3c2)CC1	1580414972	BBJPWTYJBZTNLD-UMSPYCQHSA-N	300.362	1.489	50	20	DDGD	
COC[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](F)Cl	1847865880	ZLTNUJSCQCKOHH-XWLWVQCSSA-N	306.765	1.005	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(C(=O)O)c(Cl)c1)n1cncn1	1589423427	NSVKJBDAZQDBBS-SSDOTTSWSA-N	309.713	1.334	50	20	DDGD	
COc1cccc(NC(=O)NNc2ncccc2C(=O)O)n1	1594131233	TUFPLZKIODWOSS-UHFFFAOYSA-N	303.278	1.332	50	20	DDGD	
COc1cccnc1CC(=O)NNc1ccc(CC(=O)O)cc1	1599719804	NTIROWPFJCKWLM-UHFFFAOYSA-N	315.329	1.403	50	20	DDGD	
COc1cc(NNC(=O)CCSCC(=O)O)ccc1Cl	1599444897	KYACJNJQDVCPHE-UHFFFAOYSA-N	318.782	2.000	50	20	DDGD	
C[C@H]1COCC[C@@H]1NC(=O)NNc1ccc(C(=O)O)cc1F	1594604534	QNUVRPDHRYNYSR-KWQFWETISA-N	311.313	1.575	50	20	DDGD	
CCCC[C@@H](NNC(=O)c1cncn1-c1ccccc1)C(=O)O	1595640851	OKZQUZKNBAEDDJ-CYBMUJFWSA-N	316.361	1.750	50	20	DDGD	
CCCCOCCNC(=O)NNc1ccc(C(=O)O)c(F)c1	1595771903	OUKSRNXPPXTDES-UHFFFAOYSA-N	313.329	1.967	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2ccc(C(=O)O)c(F)c2)n[nH]1	1776028560	KVBVVQHJHRUXBR-UHFFFAOYSA-N	304.281	1.248	50	20	DDGD	
Cc1cc(C=NN(CCO)C(=O)OC(C)(C)C)[nH]c1C(=O)O	1776110541	HGENTTFASJDSDG-UHFFFAOYSA-N	311.338	1.585	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)c2ccc(C(=O)O)cc2)cc1	1776099124	QLBRSMBETVBRLO-UHFFFAOYSA-N	312.281	1.847	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cc2[nH]c(C(=O)O)cc2o1	1776118295	ZPYUSWCQMHKTSO-YWEYNIOJSA-N	303.274	1.129	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cccnc2)c1C	18102798	GSZJDOJMVJMYCV-CYBMUJFWSA-N	313.357	1.927	50	20	DDGD	
COc1cccc(NNC(=O)c2cnc(C(F)(F)F)nc2)n1	152930136	RDWIZFHIUPQOAM-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2noc3c2CCCCC3)o1	155823050	MMYWLCOMHWOCFI-UHFFFAOYSA-N	303.318	1.920	50	20	DDGD	
CC(=O)Nc1ccc(C)c(NC(=O)NNc2ncccn2)c1	155946300	FILVBNRDXRTAOU-UHFFFAOYSA-N	300.322	1.892	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cc(OC)c(OC)cc1OC	208691588	KBWPYMSDMYJZSX-GHXNOFRVSA-N	320.345	1.382	50	20	DDGD	
CN(C[C@@H]1CCS(=O)(=O)C1)NC(=O)OCc1ccccc1	859386232	IGZMCRXOWXSWNL-ZDUSSCGKSA-N	312.391	1.194	50	20	DDGD	
CCOc1ncccc1C(=O)NNC(=O)c1ccc(OC)cc1	6342205	HOUZPDVGVVNFSB-UHFFFAOYSA-N	315.329	1.564	50	20	DDGD	
CSc1ccc(C)c(C(=O)NNC(=O)c2c[nH]nc2C)c1	109860523	NRAJBEQQLAHQGQ-UHFFFAOYSA-N	304.375	1.823	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cc(F)ccc2F)c1O	54144896	VSEZKWGBHNVDNN-UHFFFAOYSA-N	322.267	1.754	50	20	DDGD	
CCN(CC)[C@@H](C(=O)NNC(=O)[C@@H]1CCCO1)c1ccccc1	104849687	LSKZDWAKJNPMRD-LSDHHAIUSA-N	319.405	1.396	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1cc(F)c(F)c(F)c1	103074941	BVDDLMIBIDGAFT-UHFFFAOYSA-N	313.235	1.841	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@]1(O)CCCc2ccccc21	109150242	JEUXARUWMFKMHW-QGZVFWFLSA-N	319.405	1.587	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)CCS(=O)(=O)C1CCCC1	103197608	RBRDFSIHLFQKNV-UHFFFAOYSA-N	318.439	1.318	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)c2ccc(C)cc2O)cc1	55647733	WRTLUVFEBNFJGF-UHFFFAOYSA-N	320.370	1.632	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)[nH]n1	29881161	YVNMYQXZSMIHKJ-UHFFFAOYSA-N	304.325	1.505	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NNc2cc(F)c(F)cc2F)C1	172091848	LQPQKEHAKSJJKX-VIFPVBQESA-N	315.295	1.806	50	20	DDGD	
CC(C)(C)n1ncc2c(=O)[nH]c(NNC(=O)C3CCC3)nc21	111053594	QGXAUGYVNCIMAS-UHFFFAOYSA-N	304.354	1.118	50	20	DDGD	
O=C(Cc1ccc(Br)cc1)NNc1cnccn1	114881973	JKEUBPUSHYKINE-UHFFFAOYSA-N	307.151	1.925	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@H](C)C(=O)NNC(=O)c1cccn1C	172971839	MKFGNUNHOGUOAZ-JTQLQIEISA-N	317.393	1.015	50	20	DDGD	
CN(C)c1ccc(CCC(=O)NNC(=O)c2cccnc2)cc1	27635315	VOKYYRSLPIVJAS-UHFFFAOYSA-N	312.373	1.541	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cc2c([nH]c1=O)CCCC2	68228137	XOBWDLKCOUQIEB-UHFFFAOYSA-N	307.350	1.423	50	20	DDGD	
CCO[C@@H](C)C(=O)NNC(=O)Cc1ccc2ccccc2c1	65515221	FJJYERJOHHZRQO-LBPRGKRZSA-N	300.358	1.955	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1	24607985	QBWBLKOLQXWYLH-LLVKDONJSA-N	321.352	1.372	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(Cc2ccccn2)CC1	178951254	RZJLLQVRQSEACH-BUHFOSPRSA-N	300.362	1.170	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccnc(Cl)c2)cc1	61465339	YTHCPUMRJUTXMG-UHFFFAOYSA-N	300.705	1.681	50	20	DDGD	
COc1ccnc(NNC(=O)c2c(C)nn(CCCl)c2C)n1	114168457	KZZKYPJWZDDTHP-UHFFFAOYSA-N	324.772	1.294	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)NC2CC2)[nH]c(C)c1C(=O)OC	64900316	UWQZZUSINGTYKH-UHFFFAOYSA-N	322.365	1.169	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](C)Oc2cccc(F)c2)n1	174473195	ZEIGLYHXOQIJGW-JTQLQIEISA-N	320.324	1.843	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnc(-c2ccccn2)s1	170817230	UWTFXCKKMOJDHS-UHFFFAOYSA-N	319.415	1.500	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CN(C)C)ccc1Br	124365248	DZQGQIMEKCMKOO-UHFFFAOYSA-N	314.183	1.080	50	20	DDGD	
COc1nccnc1NNC(=O)c1cnc(-c2ccco2)s1	184367221	AKMIDQSFCMGMEE-UHFFFAOYSA-N	317.330	1.959	50	20	DDGD	
CC(=O)N1CCc2cc(C(=O)NNC(=O)C(C)(C)C)ccc21	77219756	KWEWEYWLPRWRJF-UHFFFAOYSA-N	303.362	1.403	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	124765593	SHDWRJYJDOZDQT-QMMMGPOBSA-N	322.752	1.344	50	20	DDGD	
CC(C)(NS(C)(=O)=O)C(=O)NNc1c(F)cccc1Cl	184232751	LXDHIJUCZCPNJH-UHFFFAOYSA-N	323.777	1.250	50	20	DDGD	
Cc1cc(F)cc(NC(=O)C(=O)NNC(=O)c2ccc(C)o2)c1	129680915	LFPKXFKWLIBEFK-UHFFFAOYSA-N	319.292	1.435	50	20	DDGD	
CC(C)c1ccc(OCC(=O)NNC(=O)[C@@H]2CCCO2)cc1	32258731	RZMVXTCMUSQHKF-AWEZNQCLSA-N	306.362	1.515	50	20	DDGD	
CSc1ccccc1S(=O)(=O)NNC(=O)C(C)(C)C	188372707	JLIPVYRIYHIRTF-UHFFFAOYSA-N	302.421	1.764	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1[nH]nc2c1CCCC2	183685468	UONZZYSSRCCUFG-UHFFFAOYSA-N	308.345	1.989	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc(F)c(Cl)c1	48654999	CATZKIWJLCBKTB-ZETCQYMHSA-N	308.762	1.835	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2csc(C)n2)c(O)c1	78797801	ZDKYDSWCHJWWRI-UHFFFAOYSA-N	305.359	1.469	50	20	DDGD	
Cc1cc(F)ccc1NC(=O)NNC(=O)Cc1ccncc1	182904924	WXZJGWOHWKBIDB-UHFFFAOYSA-N	302.309	1.925	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cnc2ccsc2c1	84460717	JZDXTVMGJNUNJV-QMMMGPOBSA-N	313.404	1.652	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CCn1cccn1	47668893	AOTZLQLLBGTDMV-LLVKDONJSA-N	320.324	1.027	50	20	DDGD	
CC(=O)CCCC(=O)NNC(=O)c1cc(-c2ccccc2)on1	194531778	LVMKAWBPNGOIQY-UHFFFAOYSA-N	315.329	1.862	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCC(F)(F)F	46916742	QLGSBGUUFJYYEU-ZETCQYMHSA-N	323.246	1.486	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NC[C@@H](C)N1CCc2ccccc2C1	192755529	BXLPOQRZILXLDU-RFRKOGIWSA-N	313.401	1.993	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cc(Cl)ccn2)cc1	96972038	RVTKUHGABNCJJZ-UHFFFAOYSA-N	318.764	1.917	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1csc(-c2cnccn2)n1	264664427	FDTGCGMPJVLLGM-UHFFFAOYSA-N	303.347	1.161	50	20	DDGD	
COCCOCC(=O)NNc1cc(C(F)(F)F)ccc1F	269984349	JFFBGFRLUKVNGI-UHFFFAOYSA-N	310.247	1.951	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(COC(C)C)cc2)[nH]n1	268797695	CJBAABZUGYWLLL-UHFFFAOYSA-N	316.361	1.718	50	20	DDGD	
C[C@@H](OC[C@H]1CCCO1)C(=O)NNc1nccnc1Cl	265152396	KUAQCZGXVOKZCN-RKDXNWHRSA-N	300.746	1.157	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cn1)[C@H]1C[C@@]12CCOC2	363710935	XOTFIDLFIWGRKA-BXKDBHETSA-N	301.268	1.970	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@H]2CCc3nccn3C2)c1	364214000	KITVFONWCBBAKW-JTQLQIEISA-N	316.752	1.509	50	20	DDGD	
CCNC(=O)N(C)NC(=O)/C=C/c1cccc(OCCOC)c1	276154913	FKICQAPDFQACPM-CMDGGOBGSA-N	321.377	1.418	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H]1CCc2[nH]ncc2C1	270440640	JPWCHEXASLJYCP-NSHDSACASA-N	313.361	1.676	50	20	DDGD	
C#CCOc1ccc(F)cc1NC(=O)NNC(=O)CC1CC1	273517929	SXDYIRLIDOSWKY-UHFFFAOYSA-N	305.309	1.791	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)c1ccc(Cl)cc1O	274193938	LBKKQLMHSSKTDP-UHFFFAOYSA-N	314.769	1.869	50	20	DDGD	
Cc1ccc(F)c(NC(=O)C(=O)NNC(=O)OC(C)(C)C)c1	274210162	MYTIWYLTAMUYSN-UHFFFAOYSA-N	311.313	1.629	50	20	DDGD	
CCCc1ccccc1NC(=O)C(=O)NN(C)C(=O)NCC	276035753	AARQTBMVBMDQCQ-UHFFFAOYSA-N	306.366	1.270	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	278783888	XXOIVWGZGXKUFN-GUYCJALGSA-N	320.389	1.545	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNc1ncc(Cl)cc1Cl	274782615	YCJQSNKWCMLESY-MRVPVSSYSA-N	310.206	1.946	50	20	DDGD	
CNC(=O)c1ccc(OC)c(NC(=O)NNC(=O)CC2CC2)c1	273504947	RRBCOJYPUHGVQC-UHFFFAOYSA-N	320.349	1.008	50	20	DDGD	
CC[C@H](OC)C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	283679678	HHCLWJXUWVGNOF-JTQLQIEISA-N	317.292	1.866	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@H](F)C(F)(F)F)c1	289315619	BOUYWVDFCPNRIS-JTQLQIEISA-N	323.246	1.155	50	20	DDGD	
COC(=O)Nc1cccc(CNC(=O)NNC(=O)CC(C)C)c1	287483628	SKIYCYLLXAEGMO-UHFFFAOYSA-N	322.365	1.741	50	20	DDGD	
O=C(NCCc1ccc(F)c(F)c1)NNC(=O)[C@@H]1CCCO1	292576209	JCEVJTJJXULVMO-LBPRGKRZSA-N	313.304	1.017	50	20	DDGD	
COc1cnc(NC(=O)NNc2nccnc2C2CCC2)nc1	296855017	UWJMOQLNMDVANZ-UHFFFAOYSA-N	315.337	1.691	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1c(CC)nc2ccc(Cl)cn12	291911243	MKHQSZPBDSBZIX-UHFFFAOYSA-N	323.784	1.856	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2ncccn2)OCCc2sccc21	293510851	ZNZFELBPABTQSP-AWEZNQCLSA-N	319.390	1.652	50	20	DDGD	
Cc1cc(F)ccc1-n1cc(C(=O)NNC(=O)CC2CC2)nn1	294275996	VGCGGBHYEWLEBX-UHFFFAOYSA-N	317.324	1.276	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccoc2C(F)(F)F)O1	294054412	ZINUYLKKXAEBAR-XPUUQOCRSA-N	306.240	1.627	50	20	DDGD	
O=C(NNc1ncncc1F)[C@H]1CCN(c2ccccc2F)C1	293637901	AAJTXNRXDJWTJR-JTQLQIEISA-N	319.315	1.724	50	20	DDGD	
C[C@@H](NC(=O)CC1CCCCC1)C(=O)NNc1ncncc1F	294243392	ZXRWPNGVLUSADA-SNVBAGLBSA-N	323.372	1.534	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)Cn2cnc3ccccc32)nn1	807950246	RAZCDEXLXWKUIA-UHFFFAOYSA-N	311.349	1.359	50	20	DDGD	
CC(C)(C)OC(=O)NC1(C(=O)NNc2ccncn2)CCC1	295603831	YGPVCARWMWYELH-UHFFFAOYSA-N	307.354	1.367	50	20	DDGD	
COCCOCc1ccc(/C=C(\C#N)S(=O)(=O)N(C)C)cc1	809158050	VIPODRYTDFJPFD-XNTDXEJSSA-N	324.402	1.605	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc(Cn2ccnc2)cc1	298402220	GESYIGSCHYTXBM-UHFFFAOYSA-N	300.362	1.739	50	20	DDGD	
CO[C@](C)(CNC(=O)NNC(=O)Cc1ccccc1F)C1CC1	291478139	KULDYWBRRFRWQB-MRXNPFEDSA-N	323.368	1.514	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)[C@@H]1COCCN1C1CCCC1	293808338	YIPNSVYDRQBECD-LBPRGKRZSA-N	324.812	1.822	50	20	DDGD	
C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)NNc1ncncc1F	814305440	BGXNLUCJRQSOKF-WFASDCNBSA-N	301.325	1.972	50	20	DDGD	
C=CCCC(CCC)=NNC(=O)N[C@H]1CCS(=O)(=O)C1	814816437	UXDLDMJRMWBJBX-LBPRGKRZSA-N	301.412	1.595	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)CC1CC1)N1C[C@H](C)O[C@H](C)C1	819136120	MTRFURCWARGIDM-ZOWXZIJZSA-N	311.426	1.068	50	20	DDGD	
CC(C)(O)CN1CCC(=NNC(=O)c2cccc(C#N)c2)CC1	814220680	FFUPBTRSOVZWRG-UHFFFAOYSA-N	314.389	1.511	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C(=O)c1cccn1C	813434369	CYHVVEUQFMLFBE-UHFFFAOYSA-N	304.258	1.730	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)C=C1CCCC1	817054528	MXZYYMMKLZAQPA-UHFFFAOYSA-N	323.418	1.880	50	20	DDGD	
C[C@H](C(=O)NN(C)C1CC1)N1CCN(c2ccc(F)cc2)CC1	819646458	AARQZLBSGYTAJC-CYBMUJFWSA-N	320.412	1.462	50	20	DDGD	
Cc1cc(OCC(=O)NNc2cnnn2C)ccc1C(C)C	816770355	UDGPHNXIDDXTJB-UHFFFAOYSA-N	303.366	1.769	50	20	DDGD	
C=CCCC(CCC)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	814816436	UXDLDMJRMWBJBX-GFCCVEGCSA-N	301.412	1.595	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1COc2cc(F)ccc21	814762554	DCIZQYMQHJBTMU-LLVKDONJSA-N	321.352	1.007	50	20	DDGD	
O=C(Cn1ccc2ccccc2c1=O)NNc1ncncc1F	817083664	RCIKNJUWBYXHNR-UHFFFAOYSA-N	313.292	1.074	50	20	DDGD	
CCc1nocc1C=NNC(=O)c1cccc(S(C)(=O)=O)c1	814803616	JHEAAOCECGIENL-UHFFFAOYSA-N	321.358	1.404	50	20	DDGD	
CCC(CC)n1nc(C(=O)NNC(=O)c2ccnnc2)cc1C	817693661	UEVRYEUUFHVTIW-UHFFFAOYSA-N	316.365	1.417	50	20	DDGD	
C[C@H]1SCCC1=NNC(=O)COc1ccccc1[N+](=O)[O-]	814743493	IEVRJBFWRLMFLP-SECBINFHSA-N	309.347	1.971	50	20	DDGD	
O=C(CN1CSCC1=O)NNc1ccc(F)c(F)c1F	728718875	VCMVZZXPXCHXMQ-UHFFFAOYSA-N	305.281	1.080	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2cncn2C1)c1cccc(Cl)c1	816806405	ARYLHMBBBHZNSX-NSHDSACASA-N	318.764	1.560	50	20	DDGD	
COC(=O)c1cn(CC(=O)NN(C)C2CC2)c2ccccc12	819642116	AJHRFTFWUPJYLC-UHFFFAOYSA-N	301.346	1.553	50	20	DDGD	
Cc1cc(=O)cc(C)n1CCCC(=O)NNC(=O)C1CCC1	810380128	SMSNBWFKOFPOCJ-UHFFFAOYSA-N	305.378	1.193	50	20	DDGD	
O=C(NN=C1CCCc2sccc21)[C@H]1CCS(=O)(=O)C1	814781603	LIHSOFSPESNION-VIFPVBQESA-N	312.416	1.339	50	20	DDGD	
O=C(O)CCNC(=O)NNC(=O)c1cccc2ccccc12	819492554	LRQGBUYRBIQLHN-UHFFFAOYSA-N	301.302	1.259	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CCCCN(C)C)cc1	729527151	BHMPICGPAOZUNG-UHFFFAOYSA-N	321.421	1.507	50	20	DDGD	
C[C@@H]1CC2(CCOCC2)CN1C(=O)NNC(=O)c1ccccc1	825582539	CDNIVMVQIOWANY-CYBMUJFWSA-N	317.389	1.932	50	20	DDGD	
CCN(CCO)NC(=O)CCc1ccc2ccccc2c1O	823889418	VVQXBMMGADQNFV-UHFFFAOYSA-N	302.374	1.823	50	20	DDGD	
CCN(CCO)NC(=O)c1ccccc1C(=O)c1cccs1	823838475	RFKFFZSFNZKFJG-UHFFFAOYSA-N	318.398	1.938	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CSC[C@H]2CCCO2)c1	728825647	JSJDBFVJYFYTHE-CYBMUJFWSA-N	319.386	1.231	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNC(=O)Cc1ccc(F)cc1)C(C)(C)C	822212299	LIMJNRRJUQIFTE-CQSZACIVSA-N	323.368	1.066	50	20	DDGD	
C[C@@H](C1CC1)n1cc(NC(=O)NNC(=O)c2cc[nH]n2)cn1	822794536	QCWBSFVGBWRFKU-QMMMGPOBSA-N	303.326	1.044	50	20	DDGD	
COc1ccc2c(c1)CCCCN2CC(=O)NNC(=O)C(C)C	828569843	VBBQOZZDWGNNAS-UHFFFAOYSA-N	319.405	1.641	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1c2ccccc2O[C@H]1C	826810492	YCNUGSBGBNVYSN-RMIALFOJSA-N	319.361	1.264	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CN[C@@H](c1ccccc1)C(F)(F)F	823953038	XDANSPZYUXDQEA-MFKMUULPSA-N	319.327	1.223	50	20	DDGD	
Cc1cc(C)c(NNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)c(C)c1	822193982	CKLAPFZYGIIMOV-UHFFFAOYSA-N	311.349	1.877	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2C[C@H]3CCN(C)[C@H]3C2)cc(C#N)n1C	491007092	FNBYLMJCUXKRDH-JTTCXLJTSA-N	323.400	1.275	50	20	DDGD	
CCOC(=O)N1CSC[C@H]1C(=O)NN[C@@H](C)C(F)(F)F	826943134	VCLMIJNDHWGJTB-BQBZGAKWSA-N	315.317	1.089	50	20	DDGD	
N#CCn1c(C(=O)NNC(=O)NCC2CC2)cc2ccccc21	729344476	VLEVWRDIFKZUGV-UHFFFAOYSA-N	311.345	1.519	50	20	DDGD	
OB(O)c1cccc(CN[C@H]2CCOc3c(Cl)cccc32)c1	585018056	GICMMDOZLRFUIJ-HNNXBMFYSA-N	317.581	1.633	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@@H]1CCCC1(F)F	826913368	RRJBWRZDTMPTGY-LPEHRKFASA-N	305.325	1.177	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc2sc(N(C)C)nc2s1	823970766	KWDMYNSQEJRPQN-ZETCQYMHSA-N	314.436	1.381	50	20	DDGD	
CN(C)c1ncccc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	825888306	QEXXVKYAOPBGEC-UHFFFAOYSA-N	324.348	1.085	50	20	DDGD	
C[C@@H]1OC(=O)N[C@H]1C(=O)NNc1cc(C(F)(F)F)ccc1F	496243664	GRHXUWAAUPDVCZ-SSDLBLMSSA-N	321.230	1.785	50	20	DDGD	
Cc1cccc2c1CN(C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)CC2	827273616	IJMUCGKQNCADGH-GXTWGEPZSA-N	317.389	1.519	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C	491245712	WUUHJSQBHKCIHK-SECBINFHSA-N	317.411	1.101	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21)c1ccc2ccccc2n1	905018686	YOSRJQKBTANMQJ-NZVBXONLSA-N	309.325	1.221	50	20	DDGD	
COC(=O)[C@H](NNC(=O)c1ccc[nH]1)c1cccc(Cl)c1	735506546	CARSYXCSNJMQOC-GFCCVEGCSA-N	307.737	1.817	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(C)CCNC(C)=O)cc1	491158337	DVIXVNKCARDJRI-RVDMUPIBSA-N	315.373	1.587	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNc1cnc2ccccc2n1	839741776	XBQQQDGGQMHJQM-SNVBAGLBSA-N	302.334	1.662	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)C(C)C)c(S(C)(=O)=O)c1	836762383	NSYKOXORUKKUJU-UHFFFAOYSA-N	313.379	1.207	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H](C)N1CCc2ccccc2C1	736072775	RXPXZSAMLXYZER-LBPRGKRZSA-N	304.394	1.174	50	20	DDGD	
OB(O)c1ccccc1CNc1ccccc1O[C@@H]1CCOC1	585012115	MYUMTDMGEFVSDM-CQSZACIVSA-N	313.162	1.146	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2	901965358	DEBAGBRBIUHLSN-LLVKDONJSA-N	322.386	1.123	50	20	DDGD	
COCC(=O)NN[C@@H](C(=O)O)c1ccc(Cl)cc1Cl	831540876	HHZLIKNPGWLNLB-SNVBAGLBSA-N	307.133	1.386	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CCCCO2)ccc1OCC#N	834989329	GKHRWXBHOJROLR-CQSZACIVSA-N	317.345	1.617	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2	730778210	KPNKIEFEEYXARJ-SRVKXCTJSA-N	304.346	1.355	50	20	DDGD	
Cc1ncsc1/C=C\C(=O)NNC(=S)Nc1ccccn1	588520593	KTAOJSQYLXVUDU-WAYWQWQTSA-N	319.415	1.878	50	20	DDGD	
CC[C@@H](C(=O)NNC(=S)NCCCN(C)C)c1ccccc1	731941338	QYJUQAGZWRYWOB-CQSZACIVSA-N	322.478	1.627	50	20	DDGD	
C[C@H](NCC(=O)NNC(=O)C(C)(C)C)c1ccc([N+](=O)[O-])cc1	830167310	KREWRCFDCIRCFX-JTQLQIEISA-N	322.365	1.439	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(=O)n(Cc2ccccc2)c1	916688534	XZIWWRURBVMBRL-UHFFFAOYSA-N	316.317	1.289	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@H](C)c2cnn(C)c2)c(O)c1	839551997	XQQSBHOLNAEHGA-NSHDSACASA-N	316.361	1.389	50	20	DDGD	
CCOc1ncccc1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	831248618	KCZOKALGNXAJSL-ZJUUUORDSA-N	308.338	1.058	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@]1(C)CC=CCC1	838186087	ZDZDIAKAHDKHTB-WBMJQRKESA-N	310.394	1.858	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	839748325	JEMQJQBIPUDTOT-QMMMGPOBSA-N	312.301	1.325	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccc(F)cc1[N+](=O)[O-]	842562336	PHNJIEKUHKSFMV-BXKDBHETSA-N	309.297	1.999	50	20	DDGD	
CS[C@H](C)CNC(=O)NNc1ncc(Br)cn1	847340775	FZEWJPHFRSELEN-ZCFIWIBFSA-N	320.216	1.617	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H](C)CN2CCCCC2)ccc1O	916364497	NPHPQZUECDWTEE-ZDUSSCGKSA-N	319.405	1.973	50	20	DDGD	
COC(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1	844128991	LABNDRUWEURRFD-SNVBAGLBSA-N	315.370	1.411	50	20	DDGD	
O=C(NNc1ncncc1F)N[C@H]1CCCN2CCCC[C@H]12	848675274	VXANOKIPOKUREW-NWDGAFQWSA-N	308.361	1.259	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1[nH]c(O)nc1C)c1ccccc1	847482322	UKTGHPQDCPGTRL-NSHDSACASA-N	302.334	1.379	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(F)c(Br)cc1F	910184736	VCRRNYNXRQLIDT-LURJTMIESA-N	323.137	1.685	50	20	DDGD	
C[C@H]1CCCc2ncc(C(=O)NNC(=O)NCC(F)(F)F)n21	846064954	PBOOXFORTDTCEH-ZETCQYMHSA-N	319.287	1.287	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(CC(C)C)c[nH]1	840408099	DBNJXWWBWYEGMY-UHFFFAOYSA-N	314.480	1.685	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CNC(=O)Cc1ccc(O)cc1	848082341	FKTRKCVDZSHHSW-UHFFFAOYSA-N	319.188	1.313	50	20	DDGD	
CC(C)CC1(CNC(=O)NNC(=O)c2ncccn2)CCC1	841583521	WHROBPIXGMJWHU-UHFFFAOYSA-N	305.382	1.637	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(COc2ccc(F)cc2)o1	910175868	VHWIVAFLQVJRCT-NSHDSACASA-N	322.336	1.955	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)Nc2ccc3c(c2)OCO3)c2ncnn21	841640176	KYPABHRBDBLDJH-MRVPVSSYSA-N	314.305	1.497	50	20	DDGD	
CN(CC(=O)NNC(=O)C(C)(C)C)Cc1ccccc1Cl	744383454	QEQUWQOWZZBZPY-UHFFFAOYSA-N	311.813	1.965	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=O)Cn2nc(C)cc2C)s1	747700277	KORNKHBFTVMTAS-UHFFFAOYSA-N	321.406	1.288	50	20	DDGD	
COc1ccc(OCCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	843640505	OIPBQOPXOMPRPL-BXUZGUMPSA-N	322.361	1.037	50	20	DDGD	
CCc1ccc2c(c1)C(=NNC(=O)[C@@H](C)OCCOC)C(=O)N2	748252537	GNINGHMWRGHPLG-SNVBAGLBSA-N	319.361	1.073	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(C)c1	843645039	QGLXRLBQRJFNCO-KGLIPLIRSA-N	320.389	1.645	50	20	DDGD	
Cc1c(NNC(=O)c2ccc3nn[nH]c3c2)cccc1[N+](=O)[O-]	748670268	FEYVTJCOTGBZQA-UHFFFAOYSA-N	312.289	1.931	50	20	DDGD	
O=C(NCCC[C@@H]1CC1(Cl)Cl)NNC(=O)c1ccc[nH]1	845665277	DUEODGVGJBQPLJ-MRVPVSSYSA-N	319.192	1.933	50	20	DDGD	
C[C@@H]1OC(=O)N[C@@H]1C(=O)NNc1cccc(Br)c1	841409667	VGSIMTINMORXIM-RCOVLWMOSA-N	314.139	1.389	50	20	DDGD	
CN(C)C(=O)NN=Cc1cccc(NC(=O)C(F)(F)F)c1	745601499	CQBKFISUCNJMFU-UHFFFAOYSA-N	302.256	1.793	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)/C=C(\C)COC)cc1	845076468	OHZNVMXOOGMKCM-PKNBQFBNSA-N	323.418	1.996	50	20	DDGD	
O=C(NNc1cccnc1Cl)C1(n2cnnn2)CCCCC1	846258705	VEMKZUIQEKUTRX-UHFFFAOYSA-N	321.772	1.524	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)C1CC(F)(F)C1	753565464	JPYXKSSVDIJKIZ-UHFFFAOYSA-N	302.252	1.397	50	20	DDGD	
Cc1c(CN)c(NC(=O)[C@H](Br)C(C)(C)C)nn1C	852900177	RZGCPXNQCKPJHW-VIFPVBQESA-N	317.231	1.935	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@@H](CCO)C2)C[C@@H]1Br	856952388	BTKSNNBVYHSCCO-GMXVVIOVSA-N	319.243	1.964	50	20	DDGD	
Cc1nnc(NNC(=O)c2cnc(-c3ccccc3)nc2)nc1O	921202288	PTBWZLQGMBYELY-UHFFFAOYSA-N	323.316	1.100	50	20	DDGD	
C[C@H](CO)[C@@H]1CCCCN1C(=O)/C(C#N)=C\c1cnn(C)c1	855467254	RUKFSYTVEHRHQD-LRAISJKKSA-N	302.378	1.337	50	20	DDGD	
Cc1ccc(F)c2c1NC(=O)C2=NNC(=O)NCc1ccco1	750936155	MZIOOHICVHXEMN-UHFFFAOYSA-N	316.292	1.883	50	20	DDGD	
C[C@@]1(CNC(=O)N2[C@H]3CC[C@H]2CNC3)C[C@H]1Br	857105665	PHKICUDTPZRIKY-GUDRVLHUSA-N	302.216	1.306	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)C[C@H]1C=CCC1	855829025	DXXQKHUJLFXTFS-LBPRGKRZSA-N	309.410	1.433	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)c1cccc(F)n1)OCC1CC1	852381906	GFUGOPGJPHXAFO-UHFFFAOYSA-N	324.356	1.370	50	20	DDGD	
C#CC[C@@H](CCOC)NC(=O)NNC(=O)c1ccc(CC)cc1	859026887	VVSHCSVYMAACDI-HNNXBMFYSA-N	317.389	1.621	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2)cc1	752284243	KNUWUSVCYLLSLM-UHFFFAOYSA-N	313.313	1.095	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@@H](C)c1nc2ccccc2s1	754703425	RDNNQWVEQQABBN-ZJUUUORDSA-N	320.418	1.893	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2	859539449	LRLVDNNXZLLRRP-XMZIXOGTSA-N	309.410	1.265	50	20	DDGD	
C[C@H]1C[C@H]1C=NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1	758367692	ZMDPZDRRWNJMIA-CBAPKCEASA-N	315.782	1.359	50	20	DDGD	
NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C[C@H](CBr)C1CC1	859272105	MVNDPHRYOKDUAQ-RVMXOQNASA-N	315.255	1.993	50	20	DDGD	
CC1(C)CN(C(=O)NC[C@]2(C)C[C@H]2Br)CCN1	857105646	OWEGPURCDCNSSR-SKDRFNHKSA-N	304.232	1.553	50	20	DDGD	
COCc1ccccc1NC(=O)NNC(=O)c1c[nH]nc1C	755806135	AVLFZFNRBMEIJK-UHFFFAOYSA-N	303.322	1.331	50	20	DDGD	
CCc1cccc(OCC(=O)NNC(=S)N[C@H](C)C2CC2)c1	751620714	LMMIHNMEMYFZKS-LLVKDONJSA-N	321.446	1.922	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc2c(cc1Cl)OCO2	755573480	PWMUPEAPXOSPAP-UHFFFAOYSA-N	315.713	1.258	50	20	DDGD	
O=C(CCCCO)NNc1ccc(S(=O)(=O)C(F)F)cc1	866874895	QGFMKOHKFRPALY-UHFFFAOYSA-N	322.333	1.289	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNc1cc(Cl)nc(Cl)c1	868969047	NKMGZZXQESOFMO-QMMMGPOBSA-N	305.165	1.746	50	20	DDGD	
CCC[C@H](CC1CCCCC1)C(=O)NNC(=O)[C@H]1CCC(=O)N1	862454676	IRJFQENMPJTXGI-ZIAGYGMSSA-N	323.437	1.799	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cc1cccnc1Cl)C1CC1	869218051	CQPLJXCEUUWXRM-QMMMGPOBSA-N	312.826	1.571	50	20	DDGD	
Cc1ccc(CO[C@H](C)C(=O)NNc2ncc(F)cn2)cc1	860463009	JZZLLOWAKMTMTQ-LLVKDONJSA-N	304.325	1.973	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](C)c2cccc(O)c2)n1	933985424	HOBULSMJNJULJJ-JTQLQIEISA-N	302.334	1.746	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)c1ccc(-n2cncn2)nc1	861501886	BWPRMTJUVUHEPY-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
Cc1ccc(CO[C@H](C)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	862095222	JCZBYIXYBUTMHN-NFAWXSAZSA-N	320.389	1.473	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C[C@H]1CCC[C@H](C(F)(F)F)C1	863184332	WYJULKMOBBURNY-IUCAKERBSA-N	314.329	1.502	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1[C@H](C)CC[C@H]1C	763693072	CFIMQBCTAZZZEK-ZIAGYGMSSA-N	303.406	1.558	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NN=C1CCN2CCC[C@H]12	765562424	HDVPAZSZSQBGES-BXUZGUMPSA-N	305.353	1.933	50	20	DDGD	
COCCOc1cccc(C=NNC(=O)c2cc(C)[nH]n2)c1	764797812	VZNJUHSGSQTKDJ-UHFFFAOYSA-N	302.334	1.507	50	20	DDGD	
CCC(CC)[C@@H](C)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	761516673	CODQLCGLIAHSSE-YPMHNXCESA-N	304.456	1.551	50	20	DDGD	
O=C(NCCc1cn2c(n1)SCC2)NNc1ccc(F)cn1	767942081	OLZIGLFMVNWZCG-UHFFFAOYSA-N	322.369	1.392	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)c2cc(Cl)sc2Cl)N1	862449270	DESHLIGLJJJUTA-RXMQYKEDSA-N	322.173	1.095	50	20	DDGD	
CC(=O)N/C(=C\c1cccs1)C(=O)NN[C@H](C)C(F)(F)F	862322371	HVQRVPWWOHTYQV-LWYMYGMPSA-N	321.324	1.797	50	20	DDGD	
Cc1noc(CCC(=O)NNCC(F)(F)C(F)(F)F)n1	863091208	DDARYVJIMSTMMJ-UHFFFAOYSA-N	302.203	1.129	50	20	DDGD	
CCC(CC)(C(=O)NN(C)C(N)=O)c1ccc(OC)c(OC)c1	760008223	ASFUMASSDPZQKK-UHFFFAOYSA-N	323.393	1.803	50	20	DDGD	
CCCC(=O)N1CCCC[C@H]1C(=O)NNc1ccc(F)cn1	874650118	RKSRUXHHCQQTIR-LBPRGKRZSA-N	308.357	1.845	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(NC(C)=O)c(OC)c1	878271693	KLQNWEVYXGELHW-UHFFFAOYSA-N	310.354	1.268	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCC(=O)[C@H]1CCCOC1	769117642	YAYLRBMSYNCWFI-IAOKNECISA-N	315.325	1.838	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc(Cn2cccn2)c1	878179388	NIOOPENSMAFIRU-UHFFFAOYSA-N	303.366	1.546	50	20	DDGD	
CCn1nc(NC(=O)NNC(=O)C2CCOCC2)cc1C1CC1	878882531	JIHDSEJTECUFLZ-UHFFFAOYSA-N	321.381	1.360	50	20	DDGD	
CON(C)C(=O)[C@@H](C)NC(=O)NNc1c(C)cccc1Cl	875907172	AYZFQCDVTQAGGK-SECBINFHSA-N	314.773	1.683	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1CCc2c(O)cccc21	874124910	UPEUZFZHAVCKHU-UHFFFAOYSA-N	302.359	1.820	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C/c1ccco1	771889545	LSOWFQWCGQLFIF-XUIVZRPNSA-N	308.334	1.418	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@@]2(C)C[C@H]2Br)cc[nH]1	875758399	LWASVURVNKYDBB-ZYHUDNBSSA-N	313.199	1.612	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@H](C)c1ccccc1	771844375	BKAVFHSIPRERKU-RYUDHWBXSA-N	306.362	1.669	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc2nc(C)ccc2o1	772089600	QPVQUNWUUYFGCQ-VIFPVBQESA-N	319.317	1.239	50	20	DDGD	
O=C(/C=C\c1ccc[nH]1)NNC(=O)c1cncn1-c1ccccc1	1116706235	NLCJMEDPHYISIX-HJWRWDBZSA-N	321.340	1.675	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc(CCOC(C)=O)c1	879148432	XTBVKWZGMKQRKO-UHFFFAOYSA-N	309.366	1.407	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1cc([N+](=O)[O-])ccc1C	779820562	FLFGZBHAPRKWAL-UHFFFAOYSA-N	308.294	1.099	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CC2(COC)CC2)c1	874951896	JXXNVYFHFVTDJK-UHFFFAOYSA-N	317.414	1.802	50	20	DDGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)[C@@H]1C[C@H]1[N+](=O)[O-]	873786466	ULJNFPDHMSONNT-RKDXNWHRSA-N	314.754	1.323	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)CCOC(C)C	873767636	JUEFKCORMSVKPH-UHFFFAOYSA-N	311.407	1.828	50	20	DDGD	
CC[C@]1(CO)CCCN(S(=O)(=O)CBr)C1	778130021	UCMHHNATYQYUEH-VIFPVBQESA-N	300.218	1.153	50	20	DDGD	
COCCOCC(=O)NN=Cc1cc(Br)cs1	872402740	CBHUUKUMYWZZIS-UHFFFAOYSA-N	321.196	1.624	50	20	DDGD	
CCC[C@H](C)CC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	772064472	CRCPZDRTVIPVMN-NWDGAFQWSA-N	300.399	1.938	50	20	DDGD	
CCC(C)(C)CC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	772163253	CLPVDOSKUKXIKB-NSHDSACASA-N	300.399	1.938	50	20	DDGD	
CO[C@]1(C(=O)NNC(=O)CCc2ccccc2)CCSC1	888629504	ZYOUKXSFNPAGAX-OAHLLOKOSA-N	308.403	1.289	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)COc2cccc(C=O)c2)n1	773861978	GQIYYJWTPQIDFT-UHFFFAOYSA-N	321.724	1.047	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)[C@@H]1C[C@@H]1c1cccc(F)c1	882664892	OOJFDAWSXKKBKE-CHWSQXEVSA-N	314.382	1.678	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccnn1-c1cc(C)ccn1	788300703	UNLOPZMHNJJQCL-UHFFFAOYSA-N	317.353	1.274	50	20	DDGD	
C=C[C@](C)(CC)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	785762475	UJYXYHPPABSGMK-QGZVFWFLSA-N	318.373	1.902	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCC(=O)NCc1ccccc1F	786675746	LVKDCZKMQXCWCC-QPEQYQDCSA-N	302.305	1.845	50	20	DDGD	
C[C@H](C(=O)NNc1c(F)cc(F)cc1F)N1CCSCC1	885151903	QLWSBHSCIXEQQX-MRVPVSSYSA-N	319.352	1.984	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NNc1ccc(Cl)cc1F	885108014	USMIMQAJCGVFPI-JTQLQIEISA-N	315.776	1.891	50	20	DDGD	
COCC(=O)NN[C@@H](C(=O)OC)c1cccc(Cl)c1Cl	781593378	YTPZBPZPXIEQAY-LLVKDONJSA-N	321.160	1.475	50	20	DDGD	
COc1ccc(COCC(=O)NNc2ccnc(F)c2)cc1	781363572	UYUHJDVDPXMTGV-UHFFFAOYSA-N	305.309	1.889	50	20	DDGD	
O=C(NCc1cccc([N+](=O)[O-])c1)NNc1ncncc1Cl	780975445	DEAUEUYYKKHZNB-UHFFFAOYSA-N	322.712	1.865	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N[C@@H]1CC[C@H](C)C1	780782241	IOECUFVNZVQDBC-CMPLNLGQSA-N	315.377	1.775	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)Cc1cncs1	782657965	GKGHIEJZVRJXQP-UHFFFAOYSA-N	309.778	1.729	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(F)cn2)c1	783712409	VDZRFBQGRHXFNQ-UHFFFAOYSA-N	319.292	1.313	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H]1CCCN1C(=O)C(C)(C)C	791221827	ZOLQATCJBKSBTJ-LBPRGKRZSA-N	304.394	1.870	50	20	DDGD	
O=C(CCCCc1ccccc1)NNC(=O)C1CCOCC1	894100604	CIKCSHIPAFFHND-UHFFFAOYSA-N	304.390	1.973	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(C)n2)c2n[nH]cc2c1	794079813	FHBBRUVGVDHVKY-UHFFFAOYSA-N	309.329	1.650	50	20	DDGD	
C[C@@H](Oc1ccc(C=O)cc1)C(=O)NNC(=O)c1ccc[nH]1	794816472	KOLYYKSGNCTGCE-SNVBAGLBSA-N	301.302	1.056	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1cc(Cl)ccc1O	790180957	GFDQPEPTKHMVMX-UHFFFAOYSA-N	310.785	1.727	50	20	DDGD	
C[C@@H]1CCNC(=O)[C@@H]1NC(=O)[C@@H](Br)C(C)(C)C	799764784	KDDBAROTIXCICX-IWSPIJDZSA-N	305.216	1.437	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H](C)c1ccc2c(c1)OCO2	794200316	KKYRJPUISGRHSM-SECBINFHSA-N	307.375	1.200	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCc2cccc(F)c2)n1	792801660	QRZNWHFBJLFZGE-UHFFFAOYSA-N	302.309	1.673	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNc2nncc(N)c2Cl)cc1	1319207958	IHVQQFIUYXZZFJ-UHFFFAOYSA-N	320.740	1.428	50	20	DDGD	
O=C(CSCc1cccs1)NNC(=O)N1CCOCC1	1318075716	GCVZSBOARNHGJS-UHFFFAOYSA-N	315.420	1.054	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CSc1ccc(C#N)cc1	1318307962	SAPZCLUCCZDZMD-UHFFFAOYSA-N	308.432	1.554	50	20	DDGD	
O=C(/C=C/[C@@H]1CCOC1)NNc1cncc(Br)c1	1324487522	XHHZOIKAEJJROK-GPYPMJJRSA-N	312.167	1.880	50	20	DDGD	
C[C@H]1CCC[C@@]1(C)C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1324352635	QPBMPBPSZIOPGN-MGPLVRAMSA-N	304.394	1.876	50	20	DDGD	
C[C@H]1CCc2nc(C=NNC(=O)c3cnn(C)c3)sc2C1	1324474453	WPOWNFVKJXAOSP-VIFPVBQESA-N	303.391	1.765	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC[C@@H](C)CNC)c1ccccc1	1325679643	GYKJWXNIAKPZGA-JSGCOSHPSA-N	306.410	1.366	50	20	DDGD	
COCCN(C)NC(=O)C1=NN(c2cccc(C)c2)C(=O)CC1	1330835669	XAFFVADMTMYUFW-UHFFFAOYSA-N	318.377	1.087	50	20	DDGD	
N#CSCCCNC(=O)/C=C/c1ccc2c(c1)NC(=O)CO2	1336484844	KIWBENGRVJTWCP-HWKANZROSA-N	317.370	1.751	50	20	DDGD	
C[C@@]1(CNC(=O)COCc2ccncc2)C[C@H]1Br	1334835433	VNWXIIKHAFBRKV-YPMHNXCESA-N	313.195	1.888	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCc2nc[nH]c2[C@H]1c1cccnc1	1336534070	KKPMOKNODVIWIA-QSOAKEGCSA-N	323.356	1.723	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1csc(O)n1	1255047623	ZZAWDCKINCIUAN-UHFFFAOYSA-N	304.291	1.051	50	20	DDGD	
C=CCn1cnnc1S[C@@H](C)C(=O)NNC(=O)CC(C)C	1251898689	FIVSXGQTVONEAA-JTQLQIEISA-N	311.411	1.138	50	20	DDGD	
O=C(NC[C@H]1CCCCCN1)NNc1ncnc2ccsc12	1336994102	VOPPNNMJYMJNSD-SNVBAGLBSA-N	320.422	1.850	50	20	DDGD	
N#CCOc1ccc(C=NNC(=O)C(=O)Nc2ccccn2)cc1	1332398230	BFLSXVJXFRSITO-UHFFFAOYSA-N	323.312	1.073	50	20	DDGD	
CC1=NO[C@](C)(C(=O)NNc2ccc(C(F)(F)F)nn2)C1	1335861939	NQZNOCCEKZTUFY-JTQLQIEISA-N	303.244	1.493	50	20	DDGD	
Cn1nncc1NNC(=O)c1cc(O)ccc1C(F)(F)F	1347709209	KHRGUBMYJMRVOA-UHFFFAOYSA-N	301.228	1.296	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1conc1C1CC1	1347319303	DNCLHAVODGUPAD-UHFFFAOYSA-N	315.333	1.229	50	20	DDGD	
O=C(NCCN1CCC2(C1)OCCO2)c1cccc(CCl)c1	1358437768	SGKNEPILMDHXBU-UHFFFAOYSA-N	324.808	1.604	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)cc1F)C1=C[S@@](=O)CCC1	1608481038	GLHXBMHWGSMJSF-NRFANRHFSA-N	312.322	1.393	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2C[C@@H](C(=O)O)C2)c1C	1607857080	NBZAUVBDJIWYDN-PHIMTYICSA-N	321.402	1.732	50	20	DDGD	
COCCn1cc(C(=O)N2CC=C(C#N)CC2)c(=O)cc1C	1466141203	NHNUIRCDWKATHT-UHFFFAOYSA-N	301.346	1.099	50	20	DDGD	
Cc1ccc(C#N)cc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1605805864	KNXBVZNJACFFIG-UHFFFAOYSA-N	319.328	1.804	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=C1CC[C@@H](C(=O)O)C1	1601372395	FVKYTYXCXOZZFR-SNVBAGLBSA-N	300.318	1.234	50	20	DDGD	
O=C(NN=Cc1cc(C(=O)O)c2n1CCCC2)c1ccc[nH]1	1601552602	AJLQPKQXBMXHEU-UHFFFAOYSA-N	300.318	1.615	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2cc(C)c(C(=O)O)o2)c1	1607923784	JLCHVNLGRPVYOF-UHFFFAOYSA-N	308.315	1.731	50	20	DDGD	
Cc1ccc(C(=O)O)cc1NC(=O)NNc1nnc(C)n1C	1600359698	XFXDLXPHVXJQCC-UHFFFAOYSA-N	304.310	1.279	50	20	DDGD	
CCC(CC)(CNC(=O)NNc1ccc(C#N)cn1)C(=O)O	1603536845	IPVPEFMGVAFXBI-UHFFFAOYSA-N	305.338	1.470	50	20	DDGD	
Cn1cnc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)c1	1608134779	XAGCURUJPXALOX-GORDUTHDSA-N	317.257	1.645	50	20	DDGD	
C=CC(=O)N(CC)CC(=O)NNc1cccc(C(=O)O)c1F	1602798421	PABJWTJCOGXPQY-UHFFFAOYSA-N	309.297	1.002	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1CCCCCC1=NNC(=O)C(=O)O	1603447157	LUDRFTPQDPKVQP-VIFPVBQESA-N	313.354	1.401	50	20	DDGD	
CO[C@H](CNC(=O)NNc1cccc(C(=O)O)c1)C(F)(F)F	1610226727	INVGIGIAVMZVDD-SECBINFHSA-N	321.255	1.588	50	20	DDGD	
N#CCC(=O)N1CCCC2(CCN(C(=O)[C@H](F)Cl)CC2)C1	1809019140	ZHSABCHEPUPRHP-LBPRGKRZSA-N	315.776	1.666	50	20	DDGD	
C[C@@H]1COCC1=NNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C	1550191789	HSXGXBFPPOUOIU-NQBHXWOUSA-N	306.366	1.026	50	20	DDGD	
CSSCCNC(=O)Cn1c(CN)nc2ccccc21	1579384891	OYFMOEAINNIJCG-UHFFFAOYSA-N	310.448	1.622	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H](N)c1ccc(F)cc1F	1577462126	VBMZQFLCZWSSRT-NSHDSACASA-N	300.309	1.095	50	20	DDGD	
CO[C@@H]1CN[C@@](C)(C(=O)NNc2ncccc2C(F)(F)F)C1	1578947382	CMKVBBGRKBBVLU-QPUJVOFHSA-N	318.299	1.311	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cn1)[C@@H]1C[C@H]2CC[C@H]1NC2	1580737201	MHWJEOVAZVMYBS-FBIMIBRVSA-N	314.311	1.932	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)c2cocn2)C1	1842544906	BOJITPCFCBHKDS-VIFPVBQESA-N	301.705	1.026	50	20	DDGD	
O=C(NNc1cccc(F)c1Br)[C@H]1CNCCO1	1580739892	SDGJULFQLPJXJX-SECBINFHSA-N	318.146	1.020	50	20	DDGD	
Nc1ccc(CNC(=O)NN=c2cc[nH]c3cccnc23)cc1	1580445872	ZQHKFYYMSYHJFQ-UHFFFAOYSA-N	308.345	1.460	50	20	DDGD	
C[C@H](CC(=O)NNc1cccc(-c2nn[nH]n2)c1)C(F)(F)F	1589792973	MUOQCXLNTSRQQK-SSDOTTSWSA-N	314.271	1.898	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCc1ccccc1C(=O)O	1588717557	BYRMCQPRZANCNW-UHFFFAOYSA-N	309.322	1.624	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](C)S)C2	1841670527	HNPZYPNHODGGBN-GHMZBOCLSA-N	318.870	1.916	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)C(C)C	1847631496	YYCVTAXXYQEIEM-VOAKCMCISA-N	316.829	1.223	50	20	DDGD	
CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)CBr	1847499979	RKQIIDYXWWSYFO-VWYCJHECSA-N	317.227	1.629	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)c1cccc(-c2nn[nH]n2)c1	1593163650	BJIHHJFOUINWEU-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
CCc1[nH]c(C(=O)NNC(=O)c2ccccc2)c(C)c1C(=O)O	1597386669	ZUNCVGCYVVYMPZ-UHFFFAOYSA-N	315.329	1.659	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2ccsc2-c2nn[nH]n2)c1	1592700425	TXFWJDCFORHLSD-UHFFFAOYSA-N	311.330	1.557	50	20	DDGD	
COC(C)(C)CCNC(=O)NNc1ccc(F)c(C(=O)O)c1	1599033138	VMFIZCPAVCEDCO-UHFFFAOYSA-N	313.329	1.965	50	20	DDGD	
O=C(Cn1ccc(C(F)(F)F)n1)NNC(=O)c1ccccc1	15435285	KJKQRPSXUGMFFI-UHFFFAOYSA-N	312.251	1.363	50	20	DDGD	
CCNC(=O)NNC(=O)c1csc(-c2ccc(C)n2C)n1	160396076	LZPGKFXAAUPNLY-UHFFFAOYSA-N	307.379	1.421	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cccn2C2CCNCC2)n1	163325913	FUQOUHUYIMWWRU-UHFFFAOYSA-N	314.393	1.576	50	20	DDGD	
CC(C)Oc1cncc(C(=O)NNC(=O)Cc2cccnc2)c1	163379896	AQFGDGHAMXFCQU-UHFFFAOYSA-N	314.345	1.268	50	20	DDGD	
CCSc1ccc(C(=O)NNc2ncnc3nc[nH]c23)cn1	156264900	XVJHVLKHYGEXLW-UHFFFAOYSA-N	315.362	1.617	50	20	DDGD	
N#Cc1ccc(NNC(=O)COc2ccccc2[N+](=O)[O-])cc1	155327426	NNTAJWNFLMUMPV-UHFFFAOYSA-N	312.285	1.989	50	20	DDGD	
C[C@@H]1CC[C@@H](CC(=O)NNc2nccc(N3CCOCC3)n2)C1	155495848	YWCDSHXYKLLJKQ-CHWSQXEVSA-N	319.409	1.583	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)nc1	159144724	ARBAVSJKISYDJJ-GFCCVEGCSA-N	318.377	1.182	50	20	DDGD	
CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(S(=O)(=O)CCCCCl)[C@H]31	375679714	OCKYZSQHCGXUIG-JZRPKSSGSA-N	307.843	1.690	50	20	DDGD	
CC(=O)N1CCC[C@@H](C(=O)NNc2ccnc3ccccc23)C1	106924563	UNEXXKBWOPHAOA-CYBMUJFWSA-N	312.373	1.936	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)C1=Cc2ccccc2OC1	103424448	IJGTYLGWOBKGFQ-UHFFFAOYSA-N	309.325	1.248	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cc(-c2cccc(Cl)c2)on1	170796760	FURCUVPDWIVDCI-UHFFFAOYSA-N	322.752	1.318	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1Cl	112884686	LGAWSUDXIQTHHP-QMMMGPOBSA-N	317.748	1.985	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)CCc1ccc(Cl)cc1	113265895	BEQFXZUBCILJGN-LLVKDONJSA-N	311.813	1.760	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ncccn1)N1C[C@H](C)O[C@H](C)C1	66913587	HSQJUIPLMQJUHG-XQQFMLRXSA-N	307.398	1.054	50	20	DDGD	
Cc1ccccc1OCCCC(=O)NNC(=O)c1cnn(C)c1	117680096	UJKQFXLJUNSKSE-UHFFFAOYSA-N	316.361	1.349	50	20	DDGD	
CCc1nnsc1C(=O)NNc1nc(-c2ccccc2)no1	171189577	WOTKWYAHYQLORJ-UHFFFAOYSA-N	316.346	1.907	50	20	DDGD	
CC(C)N(C)CC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	60161816	WSORDJIRDXRGPP-LLVKDONJSA-N	311.357	1.081	50	20	DDGD	
Cc1cc(NNC(=O)CNC(=O)c2cccc(Cl)c2)ncn1	172278026	AHCQIJGCJDIKLR-UHFFFAOYSA-N	319.752	1.312	50	20	DDGD	
O=C1O[C@H](C(=O)NNc2nccnc2Cl)Cc2ccccc21	114896509	QLRLBFDGKSBDNG-JTQLQIEISA-N	318.720	1.355	50	20	DDGD	
Cc1cc(C)cc(OCCC(=O)NNC(=O)NCC2CC2)c1	65192301	CWUOFARHZGVATN-UHFFFAOYSA-N	305.378	1.813	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cnn(CC(C)C)c1	183588807	XVKFWPORFWOBMV-UHFFFAOYSA-N	315.468	1.011	50	20	DDGD	
Cc1cccc(NNC(=O)CNC(=O)COc2ccccc2)c1	73569391	WKTTUWBUZVQYIM-UHFFFAOYSA-N	313.357	1.633	50	20	DDGD	
CC(C)C[C@@H](C(=O)NNC(=O)C(C)(C)C)N1CCCCC1=O	121036343	CTRHKJDXFUQWAO-LBPRGKRZSA-N	311.426	1.607	50	20	DDGD	
COc1ccc(/C=C(\C#N)S(=O)(=O)NC2CC2)cc1C#N	188031984	WJFRTCYKADQHQE-NTUHNPAUSA-N	303.343	1.513	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccnc2)cc([N+](=O)[O-])c1	122379236	HFPGGVJUABHZPN-UHFFFAOYSA-N	300.274	1.373	50	20	DDGD	
C[C@H]1CCC[C@@H]1CC(=O)NNC(=O)Cc1cn2ccccc2n1	184750662	BAVRZVHHPVUTCZ-QWHCGFSZSA-N	314.389	1.851	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc(Cl)cc2F)nn1	123737305	MVRDKWWMPJQKON-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)Nc2ccncc2F)c1	184241147	JRLDXTNSMJVOLW-UHFFFAOYSA-N	324.337	1.773	50	20	DDGD	
CCc1cc(NNC(=O)c2cocn2)nc(-c2ccccn2)n1	131290040	JVQAZSJBFRZMRA-UHFFFAOYSA-N	310.317	1.846	50	20	DDGD	
CC(C)c1ccsc1C(=O)NNC(=O)C(=O)N1CCCC1	132188882	FYNMPCHIIBJPFF-UHFFFAOYSA-N	309.391	1.255	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccn(-c2ccccc2)n1	78996326	FUNCUXOBIFNJBS-UHFFFAOYSA-N	301.375	1.167	50	20	DDGD	
NC1=NC(=O)[C@@H](CC(=O)NNc2ccc(Cl)c(F)c2)S1	130764720	MKKDCEITWJPHGT-MRVPVSSYSA-N	316.745	1.269	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)NCCc2cccs2)[nH]1	132824688	HLMPMQQAXXGALF-UHFFFAOYSA-N	306.391	1.880	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCc2cc(Cl)cs2)cn1	134787665	BOSJNLNVOLGANP-UHFFFAOYSA-N	312.782	1.529	50	20	DDGD	
O=C(NNC(=O)c1ccc2nncn2c1)c1cccc(Cl)c1	195486475	RPRIERUZRHJZFA-UHFFFAOYSA-N	315.720	1.458	50	20	DDGD	
COc1nccnc1NNC(=O)C(C)(C)Oc1ccc(F)cc1	131886606	PRWIKKIFSYCBDF-UHFFFAOYSA-N	320.324	1.925	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NNC(=O)C(C)(C)C)cc(C#N)n1C	194511716	QKZQVQMRMJCERL-WUXMJOGZSA-N	313.361	1.306	50	20	DDGD	
CCOC(=O)NNC(=O)C1CCN(c2ccc(C)cn2)CC1	194082045	KSKHIXNBJLZISJ-UHFFFAOYSA-N	306.366	1.384	50	20	DDGD	
COc1nccnc1NNC(=O)c1cnn(C2CCCC2)c1C	132143346	RKTGKKAVSXFUTJ-UHFFFAOYSA-N	316.365	1.862	50	20	DDGD	
CCOCCC1(C(=O)NNc2nc3ccccn3n2)CCC1	191893773	NHINNSZTIHWGTC-UHFFFAOYSA-N	303.366	1.769	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)N[C@H](C)C2CC2)ccc1[N+](=O)[O-]	83678513	KYPZVCJHGCSFON-SECBINFHSA-N	322.390	1.811	50	20	DDGD	
Cc1cc(C)nc(NC(=O)C(=O)NNc2cccnc2Cl)c1	194154484	XLFGNRIBTGEDCD-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
Cc1ccccc1NNC(=O)Cn1c(=O)cnc2ccccc21	192734162	OZTMKTZQQSERFE-UHFFFAOYSA-N	308.341	1.848	50	20	DDGD	
CCN(CCO)C(=O)/C(C#N)=C\c1cc(C)n(CCOC)c1C	255289163	GBAAFUATWFQPRR-WJDWOHSUSA-N	319.405	1.499	50	20	DDGD	
CCC[C@@H](NNC(=O)CCOc1ccccc1)C(=O)OCC	266476640	PBQOWKYGXDFOGL-CQSZACIVSA-N	308.378	1.808	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCNC(=O)CC(C)C)c(O)c1	266624706	WAQYTKRQAQHQOL-UHFFFAOYSA-N	321.377	1.014	50	20	DDGD	
COC(=O)c1cc(OC(=O)C[C@@H]2CCCO2)ccc1[N+](=O)[O-]	264781001	MWYNCCJJRADYLA-VIFPVBQESA-N	309.274	1.856	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccc(-n2nccn2)cc1	272380484	UCBXIGJGBBNXPT-UHFFFAOYSA-N	318.337	1.829	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc(C(C)C)n(C)n2)n1	279852798	UCXSOBQMGZYOAA-UHFFFAOYSA-N	301.350	1.322	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)[C@H]1CCCN1C1CC1	278730498	PZEBBAPHERVQOF-CYBMUJFWSA-N	313.361	1.405	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC1CCN(C(=O)NC(C)(C)C)CC1	271971098	WOZJOBDYTLOLJR-VAWYXSNFSA-N	322.409	1.519	50	20	DDGD	
Cn1nccc1/C=C/C(=O)NNC(=O)[C@H]1CCO[C@@H]1C(C)(C)C	277101860	VKIZXVYVKZSHAK-GSKXSAQWSA-N	320.393	1.032	50	20	DDGD	
O=C(NNc1cccnn1)N[C@H]1CCO[C@@]2(CCSC2)C1	366391397	TUNJFNUMSKVTDD-GWCFXTLKSA-N	309.395	1.157	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NOC[C@@H]2CCOC2)c1	276340536	PZXAYOSEMRYCMK-SNVBAGLBSA-N	309.322	1.067	50	20	DDGD	
O=C(CS[C@H]1CCCOC1)NNC(=O)c1ccc(F)cc1	272419830	HWJQNWABUYZREI-LBPRGKRZSA-N	312.366	1.499	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(C(=O)OC)cc1OC	275758861	ONNLUQRIZYIPNQ-SECBINFHSA-N	323.349	1.681	50	20	DDGD	
CCCOc1ccc(CNS(=O)(=O)CBr)cn1	272777082	GSCBESPYVKLHGV-UHFFFAOYSA-N	323.212	1.642	50	20	DDGD	
O=C(/C=C/c1ccc2[nH]ccc2c1)NNC(=O)N1CCOCC1	270884555	WNWVDRMJUNIPTI-DUXPYHPUSA-N	314.345	1.254	50	20	DDGD	
Cc1csc(C(C)(C)NS(=O)(=O)CBr)n1	272789805	JDOFPXUBVYKRES-UHFFFAOYSA-N	313.242	1.958	50	20	DDGD	
C[C@H]1OCC[C@@]1(O)CNC(=O)/C(C#N)=C\c1ccc(F)cc1	279590100	VAROWSPDJMOURW-JHGYQOIGSA-N	304.321	1.389	50	20	DDGD	
C[C@](O)(CC(=O)NNc1nnc(-c2ccccn2)s1)C1CC1	276424741	JMIRYIABJZEPRK-AWEZNQCLSA-N	319.390	1.594	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H](O)CCc2ccccc2)n1	270892001	QKVGPNYZHXPFNM-AWEZNQCLSA-N	300.362	1.530	50	20	DDGD	
CCCOc1ccccc1NC(=O)C(=O)NNC(=O)C1CCC1	274090014	NCYLPSXACAJPHG-UHFFFAOYSA-N	319.361	1.361	50	20	DDGD	
C[C@@]1(C(=O)NNc2cccc(S(C)(=O)=O)c2)CCCOC1	272868786	WGADVWDDJANTFE-CQSZACIVSA-N	312.391	1.350	50	20	DDGD	
NC(=O)[C@H](Cc1ccc(F)cc1)NNC(=O)CC1CCCC1	273056832	YATVHEBTZGSEHI-AWEZNQCLSA-N	307.369	1.423	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccc(OCC(F)(F)F)c1	272679288	NAUCSLZXMBGCJD-UHFFFAOYSA-N	319.283	1.934	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CCO[C@H](C)C1	271848776	HETDTGDMVPCYJL-WOPDTQHZSA-N	324.352	1.556	50	20	DDGD	
C[C@](O)(CC(=O)NNC(=O)CCCc1ccccc1)C1CC1	270066051	QHPFGSQDEXSRCY-KRWDZBQOSA-N	304.390	1.708	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1ccc(C)s1	285178528	UNBUFWOZWUNRLP-NSHDSACASA-N	309.391	1.219	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1ccnn1C(C)C	285273945	OUNPFDLFVNHHJA-UHFFFAOYSA-N	302.425	1.530	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@H]1C[C@@H](c2ccccc2)OC1=O	289366996	KYGJFJRTCFMYRR-OLZOCXBDSA-N	318.373	1.874	50	20	DDGD	
O=C(NNc1cccc(F)n1)Nc1cnn(C[C@@H]2CCCO2)c1	376801935	OPQXARJMOUMYSU-NSHDSACASA-N	320.328	1.745	50	20	DDGD	
O=C(NNc1ncccn1)NC1CCN(c2nccs2)CC1	282123884	FSIZYLVDPUCTQW-UHFFFAOYSA-N	319.394	1.228	50	20	DDGD	
O=C(CCNC(=O)OCC(F)(F)F)NNc1ncccc1F	285860018	FAMTWFIOHYTPAL-UHFFFAOYSA-N	324.234	1.342	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C(C)(C)C)cn1	286623654	ZCFKOPVLEXMANT-AAEUAGOBSA-N	320.393	1.336	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H]2CCN(CC(F)(F)F)C2)cc1	281646458	RJFDYOIBRICBOL-NSHDSACASA-N	312.295	1.886	50	20	DDGD	
COc1cc(C)cc(C(=O)NNC(=O)NCC(F)(F)F)c1O	281075159	FMAJAVVAGJPJQG-UHFFFAOYSA-N	321.255	1.216	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)N=c1cc[nH]cc1	802033077	YXSGOICBPKDPBY-UHFFFAOYSA-N	315.289	1.187	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)NC[C@H]2COc3ccccc32)O1	297984887	MWDAMPQEMJCWFY-MJVIPROJSA-N	319.361	1.061	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CCc2nc[nH]n2)c(Cl)c1	802049760	HTDXKQUABALLOY-UHFFFAOYSA-N	322.756	1.552	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)c2ccc(C#N)[nH]2)cc1	802122058	AAAMQWGISKSKFR-UHFFFAOYSA-N	312.333	1.419	50	20	DDGD	
Cc1cc(C)nc(C(=O)NNc2nc(-c3cccnc3)no2)c1	801154083	WYECIFWKAMQPLV-UHFFFAOYSA-N	310.317	1.900	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cc(O)cc(C#N)c1	809750291	XHJDCANFJNOXQG-UHFFFAOYSA-N	311.297	1.807	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NCCn2cnc(C#N)n2)c(C)c1	807510337	UUZSKRWIPOIKRI-UHFFFAOYSA-N	313.365	1.401	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1cnn2ccccc12	803429997	QPTGXYLYDGSQMY-UHFFFAOYSA-N	319.324	1.933	50	20	DDGD	
COc1cccc(C2(CNC(=O)NNc3ncccn3)CC2)c1	292731957	UPOOBOVBXIZIOD-UHFFFAOYSA-N	313.361	1.843	50	20	DDGD	
C[C@H](OCc1ccc(F)cc1)C(=O)NNC(=O)c1cccn1C	294270540	DUIUSSJUXTXODF-NSHDSACASA-N	319.336	1.531	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H]1CCCSC1	809940793	RDAOQUOJNIDSIO-ZDUSSCGKSA-N	322.430	1.918	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)c1cccnc1F	806344828	MOJLKYPITYRYKF-UHFFFAOYSA-N	313.292	1.252	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)Nc2ccc(OC)cc2)O1	802057371	PZOVITGQJKWSAA-DGCLKSJQSA-N	307.350	1.806	50	20	DDGD	
CC(=O)C1(C(=O)NNC(=O)Cc2ccc3ccccc3c2)CC1	294989823	YWMKDKXLSYSOCS-UHFFFAOYSA-N	310.353	1.899	50	20	DDGD	
CNC(=O)NCCC(=O)NNc1cccc(Br)c1	293465495	UKVQEGQAZYZKEP-UHFFFAOYSA-N	315.171	1.211	50	20	DDGD	
CCN(CC)CCOc1ccc(C(=O)NNC(=O)C2CC2)cc1	299179739	YSSYSXMBXPXGOI-UHFFFAOYSA-N	319.405	1.578	50	20	DDGD	
CN(C)N(C(=O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1	298120923	ZOOMSNVAOZKNET-GFCCVEGCSA-N	316.810	1.446	50	20	DDGD	
CCc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCCCO2)cc1	296784603	SGLOMSUJFASURX-ZDUSSCGKSA-N	312.391	1.128	50	20	DDGD	
CC(C)CS(=O)(=O)CCC(=O)NNc1cccc(Cl)n1	293588204	BRKXFOPMTRLQDI-UHFFFAOYSA-N	319.814	1.639	50	20	DDGD	
CC(C)Oc1ncccc1C(=O)NNc1cc(Cl)nc(N)n1	807207632	AEBLYGKEAXGDOS-UHFFFAOYSA-N	322.756	1.651	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNc1ccc2c(=O)[nH]ccc2c1	803435800	BSMOBZWPZRCIIV-UHFFFAOYSA-N	311.345	1.581	50	20	DDGD	
CCOc1ccc(NNC(=O)c2ccnc(-n3cncn3)c2)cc1	817909046	TZFROEYNQWZKBL-UHFFFAOYSA-N	324.344	1.818	50	20	DDGD	
Cn1nncc1NNC(=O)Cc1ccc([Si](C)(C)C)cc1	816769704	SAHGQAGVGGGUIR-UHFFFAOYSA-N	303.442	1.046	50	20	DDGD	
CSSCCNCCS(=O)(=O)c1ccc(C#N)cn1	819296686	CEINGBSEEJQFJG-UHFFFAOYSA-N	317.461	1.328	50	20	DDGD	
O=C(NN=Cc1cn2ccc(Br)cc2n1)C(F)F	811647247	CIZHQBHJIZHFDZ-UHFFFAOYSA-N	317.093	1.812	50	20	DDGD	
COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NNc2cnnn2C)c1	816770609	FIEVJBIRZJVBMT-CMPLNLGQSA-N	317.349	1.079	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)c1cccc2cccnc12	812488536	GKIDAJVLSFCMPK-RYUDHWBXSA-N	315.373	1.914	50	20	DDGD	
CC(C)(C)[C@H]1CC(=NNC(=O)[C@H]2CCS(=O)(=O)C2)CS1	814781331	FSYOTROAOCVBDC-GXSJLCMTSA-N	318.464	1.445	50	20	DDGD	
CCc1nocc1C=NNC(=O)CNc1cccc(OC)c1	814764046	LQCBCZDRUFHPSA-UHFFFAOYSA-N	302.334	1.808	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CC[C@@H](C(=O)O)C[C@@H]1C	814854067	CGGGELQSOREZOU-VHSXEESVSA-N	311.382	1.284	50	20	DDGD	
COCCC(COC)=NNC(=O)[C@@H](C)CN1CCC(C)CC1	812224361	AMFJTLRDUPMRKA-AWEZNQCLSA-N	313.442	1.510	50	20	DDGD	
CN(C)c1ncccc1C(=O)NNC(=O)c1cccc(C#N)c1	728826427	GZIWNUFBBQHLQK-UHFFFAOYSA-N	309.329	1.094	50	20	DDGD	
Cn1c(N)nc(Cl)c1C=NNC(=O)c1ccc(C#N)cc1	814823491	INFGXTMJXIPOPX-UHFFFAOYSA-N	302.725	1.291	50	20	DDGD	
O=C(CCCC[C@H]1CCSS1)NC[C@H]1CNCCO1	818008084	PBCSZJYRPYRNPZ-NEPJUHHUSA-N	304.481	1.805	50	20	DDGD	
C[C@@H](Cc1cnc2ccccc2n1)C(=O)NN(C)[C@@H](C)CO	823917668	LTKXNAKXLBOSDM-RYUDHWBXSA-N	302.378	1.152	50	20	DDGD	
CCC(C)(C)C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	726833476	YVBRQOPPAWQWMJ-UHFFFAOYSA-N	306.362	1.735	50	20	DDGD	
Cn1cc([C@H](O)CNC(=O)/C(C#N)=C/c2ccc(F)cc2)cn1	490840811	HETICABYJIYCPC-KXCGHJCSSA-N	314.320	1.316	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCc1cccc(CO)c1	729621769	QVFAUPLYNIICEF-UHFFFAOYSA-N	313.357	1.632	50	20	DDGD	
CN(C)c1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cn1	825875399	NZXXFSQKXFPOFW-UHFFFAOYSA-N	324.348	1.085	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)Cn1nc(C(F)F)cc1C(F)F	823384639	QHEAZXVOBWAWFG-ZCFIWIBFSA-N	312.267	1.102	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCc2cncn2C)cc(C#N)n1C	490839793	FCUUDQHNVBEIHZ-MKMNVTDBSA-N	322.372	1.205	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)/C=C/c1ccc[nH]1	493225854	POQWCFRHOHFXPW-VOTSOKGWSA-N	322.365	1.090	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(-c2ccc(C=O)o2)cc1O	822842899	CXSRYVSCWQPMMD-UHFFFAOYSA-N	318.329	1.688	50	20	DDGD	
O=C(CS(=O)(=O)C1CC1)NNc1cc(F)c(F)cc1F	827525483	CPEGRBREFIVNJG-UHFFFAOYSA-N	308.281	1.124	50	20	DDGD	
O=C(CSC(F)F)NNC(=O)NCCc1cccs1	822786515	RJOITNJXYNXGDH-UHFFFAOYSA-N	309.363	1.577	50	20	DDGD	
CCOC(=O)c1cc(C(=O)NNC(=O)OC(C)(C)C)[nH]c1C	496732831	IMCMBZKOEQDHII-UHFFFAOYSA-N	311.338	1.669	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)Cc1ccccc1Br	823959288	FMEIDAWHYQTQMF-SECBINFHSA-N	301.184	1.335	50	20	DDGD	
C[C@]1(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1Br	907064446	JCMMATGIOKHBPQ-SCZZXKLOSA-N	317.143	1.081	50	20	DDGD	
COC(=O)CCCC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	822764990	SRONCVYLJLLNLR-UHFFFAOYSA-N	322.365	1.249	50	20	DDGD	
O=C(O)c1cccc(C(=O)NNc2nc(O)c3ccccc3n2)c1	821549453	DHFRRLLXKHKRRP-UHFFFAOYSA-N	324.296	1.791	50	20	DDGD	
CCS(=O)(=O)Nc1ccc(NC(=O)NN(C)C2CC2)cc1	824186713	ZYRRLGZDRSLSMX-UHFFFAOYSA-N	312.395	1.579	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(CCCCNCc2cccc(B(O)O)c2)C1	585016360	WPRHVGOKPDWVMK-IYBDPMFKSA-N	318.270	1.214	50	20	DDGD	
Cc1noc(C)c1[C@H](C)NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	826002270	VNXIROZMGJKQKF-OVYXKVPISA-N	310.354	1.108	50	20	DDGD	
COCCCOc1cccc(C=NNC(=O)c2c[nH]nc2C)c1	735411625	MNIOJEVWEUXMMC-UHFFFAOYSA-N	316.361	1.897	50	20	DDGD	
CC(C)c1ocnc1C(=O)NNC(=O)CCc1ccccc1O	732287866	CYXZJPFPRNFSHC-UHFFFAOYSA-N	317.345	1.897	50	20	DDGD	
CC[C@@H](C)[C@H](NNC(=O)COc1ccccc1OC)C(=O)OC	905748303	VRBKAJSGQVLONK-ABAIWWIYSA-N	324.377	1.283	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)OC(C)(C)C)c2c(O)nn(C)c2n1	490616837	RVTJODFFCMLBMV-UHFFFAOYSA-N	321.337	1.152	50	20	DDGD	
CN(C)Cc1cc(NCc2ccccc2B(O)O)ccc1Cl	585038581	CFOYZYFXRZZMAV-UHFFFAOYSA-N	318.613	1.694	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNC(=O)CCCc1ccccc1	838775483	GNUYGYCGHSKZHV-CABCVRRESA-N	319.405	1.907	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2ccc(C(=O)O)cn2)c1	833728266	AYWQZLJYNURKLF-UHFFFAOYSA-N	305.265	1.684	50	20	DDGD	
COc1ccnc(C(=O)NNC(=O)c2ccc(C)cc2O)c1	734863448	UJSGULSHBBKYSD-UHFFFAOYSA-N	301.302	1.179	50	20	DDGD	
CC(C)c1ccccc1OCC(=O)NNC(=O)c1cnn(C)c1	735445403	SOKLNNIGLRSGPP-UHFFFAOYSA-N	316.361	1.384	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CC[C@@H](C2CCCCC2)C1	585007881	QCBLXBNDJTYPMD-OAHLLOKOSA-N	301.195	1.409	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1	837622750	JADILIQBSKJWFS-HNNXBMFYSA-N	302.378	1.136	50	20	DDGD	
Cc1ncccc1C(=O)NNC(=O)Cn1cnc2ccccc21	730997900	CDQUVIZMDMWBKG-UHFFFAOYSA-N	309.329	1.201	50	20	DDGD	
CC(C)(CC(=O)NNC(=O)NC1CC1)NC(=O)OC(C)(C)C	739706476	LFRJFFOSNILTFP-UHFFFAOYSA-N	314.386	1.173	50	20	DDGD	
C=CCN1CC[C@H](N(C)C(=O)[C@@]2(C)C[C@H]2Br)C1=O	907959767	LCQLNJYECMULRD-CWSCBRNRSA-N	315.211	1.405	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(CC(F)F)C[C@H](C)O	837013850	RZZUUABTARLQQG-QMMMGPOBSA-N	323.771	1.827	50	20	DDGD	
CC(C)n1c(O)nc2ccc(C(=O)N3CC[C@H](B(O)O)C3)cc21	585068194	YHUOGCJTFIBDMP-NSHDSACASA-N	317.154	1.012	50	20	DDGD	
CCNC(=O)NNC(=O)CCCCc1ccc(OC)c(OC)c1	900386193	MLUOSSWWGIDYMC-UHFFFAOYSA-N	323.393	1.767	50	20	DDGD	
O=C1CC(C(=O)NNC(=O)[C@@H]2CCCCO2)(c2ccccc2)C1	833235290	AKSWRQPBCIYRGB-AWEZNQCLSA-N	316.357	1.004	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1ncon1)Cc1ccc(Cl)cc1	832825938	MIVCEWODZQQVHZ-SECBINFHSA-N	322.752	1.753	50	20	DDGD	
CC(C)[C@H](NC(=O)O)C(=O)NNC(=O)c1ccc(Cl)cc1	736374348	ITWNAKHHNKZWDW-JTQLQIEISA-N	313.741	1.393	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)N[C@@H](C1CC1)C(F)(F)F	836459375	PIWSWIUUPCUCSR-BDAKNGLRSA-N	309.288	1.227	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)Nc1nc2n(n1)CCCC2	836775375	USAKLSLPCYPGRV-UHFFFAOYSA-N	317.309	1.671	50	20	DDGD	
OB(O)c1ccc(CNc2ccccc2N2CCCC2)c(F)c1	585012012	JURSANBPKVCFOV-UHFFFAOYSA-N	314.169	1.718	50	20	DDGD	
COc1cccc(-c2n[nH]cc2/C=C(/C#N)S(C)(=O)=O)c1	918713389	RFPUQGBJTZZZKY-QPEQYQDCSA-N	303.343	1.994	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNc1cccc(Br)n1	837211630	HGLMOYZUXBTQJL-SSDOTTSWSA-N	320.212	1.401	50	20	DDGD	
C[C@@H](C=NNC(=O)[C@@H]1CCS(=O)(=O)C1)CCc1ccccc1	749158508	PBUZULXDFHNLTJ-UKRRQHHQSA-N	322.430	1.792	50	20	DDGD	
Cc1[nH]nc(C(F)(F)F)c1C(=O)NNC(=O)OC(C)(C)C	746579437	GGFBDCLTUKVMGP-UHFFFAOYSA-N	308.260	1.906	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)n1	831881900	MJYBKOGJFCRIOY-QJPTWQEYSA-N	318.377	1.228	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H](C)C[C@@H](C)N)cc1C	831197764	TZNXMAHEHQBNLM-OLZOCXBDSA-N	322.409	1.138	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C1CCN(C)[C@@H](C)C1	741456064	FELAVHPCJABDBV-LBPRGKRZSA-N	304.394	1.693	50	20	DDGD	
CO[C@@H](CS(=O)(=O)NNC(=O)CC(C)C)C1CCCCC1	849304260	PEFQOTTWLWSWNK-ZDUSSCGKSA-N	320.455	1.578	50	20	DDGD	
CC(C)C(=O)N1CCCC[C@@H]1C(=O)NNC(=O)NC1CCCC1	744053094	APCUVSTXHFYAOJ-CYBMUJFWSA-N	324.425	1.297	50	20	DDGD	
C[C@@H]([C@H](C)C(=O)NNc1c(F)cccc1F)S(C)(=O)=O	841409578	SSZGEXFUKLZCSC-YUMQZZPRSA-N	306.334	1.477	50	20	DDGD	
COc1cc(Cl)cc(C=NNC(=O)[C@H]2CCO[C@H]2C)c1O	842560569	GSXKDRJCXNRQLA-KWQFWETISA-N	312.753	1.929	50	20	DDGD	
CCc1ccccc1OCCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843652281	AOCMZIMTHGBUFF-GXTWGEPZSA-N	320.389	1.590	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)N[C@H]1COCc2ccccc21	842187601	BKILHSBAXPAKQQ-UONOGXRCSA-N	319.361	1.157	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccnc(N(C)C)n2)s1	740102094	BEQXNWISEYYYRG-UHFFFAOYSA-N	321.362	1.148	50	20	DDGD	
NCCCCCCC(=O)NNc1ncc(Br)cn1	848436382	PKYOSGXLKLLAMN-UHFFFAOYSA-N	316.203	1.591	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(-c2ccccn2)nc1O	746827913	ADITWKRYLWXYFC-UHFFFAOYSA-N	314.345	1.656	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC[C@@H](N)C1CC1)c1ccccc1	841965527	HSKSUYSGSGQNTB-UONOGXRCSA-N	304.394	1.248	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@H](C)NC(=O)NNc1ncncc1Cl	841590551	OTLLCUWDBXCDOJ-ISVAXAHUSA-N	313.789	1.960	50	20	DDGD	
CCn1c(C(C)=NNC(=O)C(=O)NC(C)C)nc2ccccc21	741462615	RPWBRRAZFKOWOG-UHFFFAOYSA-N	315.377	1.421	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)CCC(C)(F)F)nc2ccccc21	916736542	XZNUHILNVBQYIL-UHFFFAOYSA-N	324.331	1.699	50	20	DDGD	
Cc1ccc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)nc1C	840598444	FZZWKJVQHFOKPZ-GFCCVEGCSA-N	321.377	1.437	50	20	DDGD	
COCCN(CC(=O)NNC(=O)C(C)(C)C)Cc1ccccc1	744385578	WZDVELAUYYZZKC-UHFFFAOYSA-N	321.421	1.329	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1ccc2c(c1)oc(=O)n2C	842556910	CFMJWCVACSTUFF-MWLCHTKSSA-N	303.318	1.007	50	20	DDGD	
CCN1CCC(=NNC(=O)c2cc([N+](=O)[O-])ccc2O)[C@H](C)C1	741774223	XPHTWNMDTYKBIG-SNVBAGLBSA-N	320.349	1.748	50	20	DDGD	
CC(C)Oc1ccccc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843650349	BJZWWAHUIISDKH-NEPJUHHUSA-N	306.362	1.660	50	20	DDGD	
COC[C@@](C)(O)C(=O)NNc1ncnc(Cl)c1C(C)C	840547036	IJRVJAYSFYMEPO-GFCCVEGCSA-N	302.762	1.094	50	20	DDGD	
CC#CC[C@H](CO)NC(=O)/C(C#N)=C/c1ccc(OCC)cc1	844119291	XDYPJRPFPAUHGQ-RBFDBLARSA-N	312.369	1.883	50	20	DDGD	
CO[C@H](C=NNC(=O)[C@@H](C)Oc1ccc(F)cc1)[C@H]1CCOC1	841611105	NXRZVFWSHNALME-TYNCELHUSA-N	324.352	1.747	50	20	DDGD	
O=C(CC1(O)CCCC1)NNC(=O)c1cc2c(s1)CCC2	746096930	RNKDPOXVLKCLIM-UHFFFAOYSA-N	308.403	1.693	50	20	DDGD	
CC[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843653451	NJFOFVGORDWJKV-GVXVVHGQSA-N	324.352	1.556	50	20	DDGD	
CC(=O)c1ccc(NC(=S)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	843276667	GDXAVWYMUFPFQN-ZWNOBZJWSA-N	321.402	1.632	50	20	DDGD	
O=C(NCCN1CCCOCC1)NNc1ccc(F)c(F)c1	922610710	WMQXWAKANYPXFK-UHFFFAOYSA-N	314.336	1.313	50	20	DDGD	
C#CCN1CCC[C@@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)C1	923584208	PHYVLQAQVUKTFQ-JBXOJTMHSA-N	311.360	1.946	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=C1CCn2cccc21	750944265	WIPYRZNEWBTKRS-UHFFFAOYSA-N	302.359	1.204	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(C)n(-c2nccs2)c1C	854926526	BIKRJZLZPOWJFD-UHFFFAOYSA-N	323.447	1.632	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)C(F)(F)c1nccs1	757667296	ZJPPNHGPWIVOLO-UHFFFAOYSA-N	303.334	1.963	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N1CC[C@@H]2C[C@@H]2C1	851915873	PNDCUTNTRCBBIZ-VXGBXAGGSA-N	313.361	1.339	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)[C@@]1(C)CC=CCC1	855825364	CEYZBYXEWVCAHN-KRWDZBQOSA-N	323.437	1.823	50	20	DDGD	
CCNc1nc(C)c(C(=O)NNC(=O)c2ccc(C)o2)s1	759273886	OOXNNFHOFSMOFU-UHFFFAOYSA-N	308.363	1.860	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)C(C)(C)C)c1ncccn1	853406508	GTKSOXARUQMVDJ-UHFFFAOYSA-N	305.382	1.259	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)N[C@H]2CC[C@H](O)CC2)c1	753724774	UFRJDQQGQUEAMM-MQMHXKEQSA-N	320.393	1.000	50	20	DDGD	
C[C@@H](C#N)N(CC(=O)NNC(=O)c1ccccc1Cl)C1CC1	852480328	PHIGUWCWHHQFKC-JTQLQIEISA-N	320.780	1.477	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@H]2C=NNC(=O)c2ccc[nH]2)cn1	853283435	PLTJNEUXHPBUFI-SMDDNHRTSA-N	301.350	1.725	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)C[C@@H](C)O2	850064042	FAJYJDYTZBRJQB-NXEZZACHSA-N	320.345	1.113	50	20	DDGD	
CC(C)(C)OCCCC(=O)NNC(=O)OCC(F)(F)F	856019250	SGAUTEZGOBNDOE-UHFFFAOYSA-N	300.277	1.901	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCC[C@H](CC#N)C1	852086571	VRMYXQMVTZEYPS-GFCCVEGCSA-N	316.361	1.675	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21	850304711	OULWIQHVHDFPQW-NMKXLXIOSA-N	310.394	1.692	50	20	DDGD	
O=C(NNC(=O)c1cnn(-c2cccnc2)c1)NC1CCCC1	759759646	QLXFZSDOFILFBT-UHFFFAOYSA-N	314.349	1.154	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCCc1ccc2nc(O)[nH]c2c1	854924306	UDXICXJHWGQPCE-UHFFFAOYSA-N	321.406	1.059	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@H](c2cc[nH]n2)C1)C1CCCC1	753345710	SGYMLFCXLTZPKA-LBPRGKRZSA-N	305.382	1.520	50	20	DDGD	
Cc1ccc(NNC(=O)NCCC(=O)N2CCOCC2)cc1F	853278799	IZZOGFHLEYBWPH-UHFFFAOYSA-N	324.356	1.009	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)CCl)CC[C@H]1C(=O)OC(C)(C)C	859307750	IUFBXYHURQRPCZ-NXEZZACHSA-N	311.831	1.812	50	20	DDGD	
C[C@@]1(CNC(=O)N[C@H]2CC[C@H](O)CC2)C[C@@H]1Br	856881125	OPHKCFMJDFVAHR-GMOBBJLQSA-N	305.216	1.763	50	20	DDGD	
Cc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)OCC(F)(F)F	856020864	XDEYKBFTAUQYHN-UHFFFAOYSA-N	321.211	1.837	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cccc2ncn(C)c12)C1CC1	855097840	YSSQEJIJOKAMJH-VIFPVBQESA-N	317.418	1.481	50	20	DDGD	
COC(=O)N1CCC(C(=O)NNC(=O)c2ccccc2C)CC1	854247002	QOUBAUAHXRSPTR-UHFFFAOYSA-N	319.361	1.234	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1CCN(C(C)(C)C)C1	851916952	OEBVBDOBCPXTKS-ZDUSSCGKSA-N	318.421	1.812	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnn2cccc(Cl)c12	855005423	FDPBTUACLOSHFW-DTWKUNHWSA-N	322.752	1.174	50	20	DDGD	
CCc1nc(CNC(=O)NNc2c(F)cc(F)cc2F)n[nH]1	922644721	PUOFPNFFVZRSPZ-UHFFFAOYSA-N	314.271	1.611	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)Cc1ccccc1C	859784390	NWXCEXUXQRRLDM-QWHCGFSZSA-N	320.389	1.663	50	20	DDGD	
O=C(NNC(=O)c1noc2c1CCCC2)c1cccc(F)n1	856421799	GXQAATLYHVACQD-UHFFFAOYSA-N	304.281	1.162	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cc2cccc(OC)c2)nc1	759728703	HGOOMFDDOQBOBI-UHFFFAOYSA-N	315.329	1.563	50	20	DDGD	
C[C@H]1[C@H](C)CCN1CC(=O)NNC(=O)c1ccc(C#N)cc1	752318726	OTBPQFHLQZNUIQ-NEPJUHHUSA-N	300.362	1.050	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CNC(=O)NNC(=O)c1ccc[nH]1	752700081	OAABKBPESYNNPY-MRVPVSSYSA-N	305.338	1.367	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F	755194476	UZAJWEUZYNCSFN-QMMMGPOBSA-N	312.301	1.576	50	20	DDGD	
CCCNC(=O)CCC(=O)NC[C@@]1(C)C[C@H]1Br	857396391	BRYPPWSYFVDUDG-BXKDBHETSA-N	305.216	1.583	50	20	DDGD	
Cn1cc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)c2ccccc21	755620614	IUFPXGMZTSBMMI-LLVKDONJSA-N	319.386	1.063	50	20	DDGD	
N#C[C@@H]1CCCN(CC(=O)NNC(=O)c2cccc(Cl)c2)C1	932156115	WDVXLKOISVAVAQ-NSHDSACASA-N	320.780	1.337	50	20	DDGD	
Cc1noc(C)c1C(=O)NNc1ccc(C(F)(F)F)nn1	755193211	AVOFZNDTBBQQMU-UHFFFAOYSA-N	301.228	1.857	50	20	DDGD	
CC(C)CN(CC(=O)NNC(=O)C1CC1)Cc1ccccn1	932445429	FVBIAHWSYOUEMD-UHFFFAOYSA-N	304.394	1.097	50	20	DDGD	
COc1cccc([C@H](CNC(=O)NNC(=O)C(C)(C)C)OC)c1	858205501	CXEURZRUKQVTER-ZDUSSCGKSA-N	323.393	1.759	50	20	DDGD	
CC[C@@](C)(NC(=O)NNC(=O)c1cnccn1)C(F)(F)F	933522853	SVPJWFZTLTZLNU-SNVBAGLBSA-N	305.260	1.152	50	20	DDGD	
CC1(C)C(NC(=O)NNC(=O)c2cccc(C#N)c2)C1(C)C	752007227	RGQDIVYBJRNRHO-UHFFFAOYSA-N	300.362	1.937	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@H](C(=O)NNc2nc3ccccc3[nH]2)C1	768513190	RMMJWOQWOYANPZ-WDEREUQCSA-N	316.361	1.985	50	20	DDGD	
CCCn1c(C=NNC(=O)[C@H]2CCC(=O)N2)nc2ccccc21	863145836	QHPBBQZAHHTFSY-GFCCVEGCSA-N	313.361	1.175	50	20	DDGD	
CO[C@]1(CNC(=O)[C@@H](Br)C(C)(C)C)CCOC1	768446090	FUUXTTGICRQPIB-SKDRFNHKSA-N	308.216	1.718	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H]2CCC(=O)[C@@H](C)C2)cc1	763273692	OMSGRXGFFVQVHU-STQMWFEESA-N	317.389	1.560	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H](Br)C(C)(C)C	767324414	REJVWFNLXTYBBD-MRVPVSSYSA-N	308.220	1.927	50	20	DDGD	
CCN(c1ccc(C(=O)NNC(=O)c2cn[nH]c2)cc1)C(C)C	862473946	DIRXAJISDOWKJB-UHFFFAOYSA-N	315.377	1.719	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1ccc2ncsc2c1	763817267	FXHHUOMHHKAXRT-UHFFFAOYSA-N	306.347	1.038	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cc(Cl)c(N)c(Cl)c1	861206268	WAUBZBBJJZDGPZ-UHFFFAOYSA-N	306.149	1.108	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H](O)CCc1ccccc1	764618264	ODXVSXSTKNJOPC-MRXNPFEDSA-N	312.369	1.750	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1ccc(-c2ncco2)cc1	763816682	KBYFXSKHIMADKY-UHFFFAOYSA-N	316.317	1.084	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1	765116940	YQAGEGHHBIARHT-UHFFFAOYSA-N	310.741	1.639	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C\c1cn(C[C@H]2CCCO2)nn1	865223591	JKICRMKBPVKASM-BFTHVDOESA-N	310.379	1.146	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC2(CCOC2)CC1	761060901	YDZHOMDDVZZGHX-ZDUSSCGKSA-N	311.426	1.071	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NN=c1sc2ccccc2n1C	864719904	QOVKXRIALZNOGA-JTQLQIEISA-N	306.391	1.086	50	20	DDGD	
CCC/C=C\C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	765323940	VIIDRJCHFXPUEE-CLFYSBASSA-N	313.398	1.795	50	20	DDGD	
C[C@H](NNC(=O)c1cc(Cn2cccn2)on1)C(F)(F)F	862319840	BFZWPJGVRPGPSR-ZETCQYMHSA-N	303.244	1.105	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)Cc2ccncc2)c(C2CC2)n1	866321847	RRPIXFYAQXZEAQ-UHFFFAOYSA-N	313.361	1.179	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)c1ccc[nH]1	768640484	KGPBWBYUQWSICG-UHFFFAOYSA-N	309.347	1.184	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](C)n2cccn2)c([N+](=O)[O-])c1	768332106	DLKHMLMPPKZBNB-SECBINFHSA-N	305.294	1.504	50	20	DDGD	
CCOc1nc(C(F)(F)F)ccc1C(=O)NN(C)C(N)=O	760482820	COLFYXHXUSBAIW-UHFFFAOYSA-N	306.244	1.154	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1F)[C@H]1CC(=O)N(C2CC2)C1	871271911	DGWVWTZRJAGHKH-QMMMGPOBSA-N	311.744	1.933	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CSCc1ccc(C#N)cc1	1115852538	VOIZRNSYZQKHNZ-UHFFFAOYSA-N	322.459	1.695	50	20	DDGD	
Cc1nc2ccnn2c(C)c1CCC(=O)NNc1ccccn1	777473830	QWVOTQHKZPZDIT-UHFFFAOYSA-N	310.361	1.817	50	20	DDGD	
O=C(NC[C@@H]1COCCN1)[C@@]12CC[C@@H](C[C@@H]1Br)C2	877039704	OBCIKKGJZZEPHI-SRRSOLGSSA-N	317.227	1.045	50	20	DDGD	
CCN(CC)c1ccc(C=NNC(=O)NCC(=O)OC)cc1	779822548	FMSYQZGLDMGQFM-UHFFFAOYSA-N	306.366	1.339	50	20	DDGD	
C[C@@H](C1CC1)n1cc(NC(=O)NNC(=O)CC(F)(F)F)cn1	779508359	WWYUVAYXQDBVLA-ZETCQYMHSA-N	319.287	1.959	50	20	DDGD	
COc1cccc2[nH]cc(CC(=O)NNC(=O)NC(C)C)c12	778665346	PFSRIEVFKQALQO-UHFFFAOYSA-N	304.350	1.458	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(C)nc(Cl)c1	778561186	AKAFSVVTOPPPBM-MRVPVSSYSA-N	313.741	1.146	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)COCCOC)cc1C	872399371	INHSRWKZMIUFQJ-UHFFFAOYSA-N	308.378	1.897	50	20	DDGD	
CC(CCCC(F)(F)F)=NNC(=O)[C@@H](C)NS(C)(=O)=O	774385097	KJKOTBSYTJSKTF-MRVPVSSYSA-N	317.333	1.149	50	20	DDGD	
CCCCc1nc(C=NNC(=O)NCC(=O)OC)c(Cl)[nH]1	779823419	PKPYPFDKZPQWCD-UHFFFAOYSA-N	315.761	1.212	50	20	DDGD	
COC1(C)CCN(C(=O)NNC(=O)c2cccc(C#N)c2)CC1	774700768	NELUKMSTCQJQME-UHFFFAOYSA-N	316.361	1.414	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccnc2)nn1[C@H](C)C1CC1	777269517	BMAFNLHUPYXCFE-LLVKDONJSA-N	313.361	1.632	50	20	DDGD	
COc1ncnc(OC)c1C(=O)OC[C@H](C)CBr	770364435	FGGMACUKFBADGM-SSDOTTSWSA-N	319.155	1.682	50	20	DDGD	
C[C@@H]1CCC[C@@H](CC(=O)NNc2nc(O)c3cnn(C)c3n2)C1	770979022	CDXRTDOFONBPKJ-NXEZZACHSA-N	318.381	1.728	50	20	DDGD	
Cc1ccn2cc(C(=O)NNc3cc(Cl)nc(N)n3)nc2c1	779374335	KPQBBPVQJOAJJK-UHFFFAOYSA-N	317.740	1.425	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N[C@H]2CCC[C@@H]2CCO)c1	779710370	FLFYKLSZZWYNKK-OCCSQVGLSA-N	316.361	1.053	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CCc1ccc(CC)cc1	771902606	IQBNRNNZBHHVFP-LBPRGKRZSA-N	320.389	1.671	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1csc2c1CCCC2	883059070	LBBAKCCYDZNKAI-UHFFFAOYSA-N	308.403	1.815	50	20	DDGD	
O=C(NNC(=O)c1scnc1C1CCCC1)c1cccnn1	882057256	RQAGPLVVRMDOLI-UHFFFAOYSA-N	317.374	1.666	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cn(C)nc2OC)c1C	883973648	ZJKZFOHOBCUEQC-UHFFFAOYSA-N	318.333	1.281	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cccc(F)c1Cl	883065013	WXGJOAKZJRNIRC-UHFFFAOYSA-N	300.717	1.667	50	20	DDGD	
CCc1nn(C)c(CC)c1CNS(=O)(=O)CBr	782471232	BWHWGYZMIFSYJQ-UHFFFAOYSA-N	324.244	1.317	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC2(CCCN2C)CC1	784256406	AMJWRJAVYSMACZ-AWEZNQCLSA-N	324.469	1.129	50	20	DDGD	
C#CCOc1ccc(C=NNC(=O)C(C)(C)O)cc1OCC	785466711	UTIAXHFHQFYGFP-UHFFFAOYSA-N	304.346	1.318	50	20	DDGD	
O=C(CCN1CCCC1=O)NNc1c(F)cc(F)cc1F	885150565	AZXYBHDCSJFVNI-UHFFFAOYSA-N	301.268	1.560	50	20	DDGD	
COC(=O)c1ccc(OS(=O)(=O)CBr)cc1	782397029	MUONEZIJDCRTTF-UHFFFAOYSA-N	309.137	1.534	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)NCC(C)(C)C#N)cc1	781953374	FRGLIUZKMNJFJZ-UHFFFAOYSA-N	318.381	1.638	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)COc1ccc(C)cc1)C(F)F	881014148	KOOOIQBNRPQHLL-NSHDSACASA-N	315.320	1.748	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)NCCC#N)c1C	787619118	DLGDHTYYUKHNOM-XNTDXEJSSA-N	300.362	1.688	50	20	DDGD	
C=C(CBr)n1cc(CN2CCC(O)CC2)nn1	883991596	JQMPHNOFAGWXPK-UHFFFAOYSA-N	301.188	1.100	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@H]2CO[C@@H](C)C2)o1	784360716	PZEFXFGQCYJESM-NWDGAFQWSA-N	323.393	1.307	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)c2ccccc2F)nc1	789866861	IGQYZRUEXRYGLM-UHFFFAOYSA-N	303.293	1.233	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1	780551666	JOOHKEWEEUOUGU-UHFFFAOYSA-N	323.696	1.809	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(O)nc2ccc(F)cc12	780710867	YYPJGXZFRSRWCG-UHFFFAOYSA-N	306.297	1.386	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1[nH]c(C)c(C(C)=O)c1C(C)C	780709705	SRTDSCAKXUYMCT-UHFFFAOYSA-N	308.382	1.955	50	20	DDGD	
C[C@@H]1[C@@H](Cl)[C@H]1CNc1cccc(CN2CCNC(=O)C2)c1	894575496	MXCDPLHRZFLHDH-HZUKXOBISA-N	307.825	1.904	50	20	DDGD	
COCC(=NNC(=O)Cc1ccccc1OC)C1CCOCC1	780212792	LAEIKZCYPYTIAW-UHFFFAOYSA-N	320.389	1.783	50	20	DDGD	
C#CCN1CCC[C@@H](NC(=O)NNc2ncc(F)cc2F)C1	890363326	MUABRHBFIMXQQG-LLVKDONJSA-N	309.320	1.084	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@]1(C)CCCOC1	781250462	XLWIUBAUQJQBNR-INIZCTEOSA-N	316.361	1.220	50	20	DDGD	
COC(=O)[C@@H](C)Oc1ccccc1/C=C(\C#N)S(C)(=O)=O	899343527	ZPOSIIXNQSERSY-ZDIKFAODSA-N	309.343	1.536	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)c3csc(Cl)c3)nc21	786979764	AVCXCDNXBQQWPH-UHFFFAOYSA-N	324.753	1.541	50	20	DDGD	
C[C@@H]1CCc2[nH]nc(C(=O)NNc3ncc(F)cc3F)c2C1	897942486	HTSBCEGTVFTBBV-SSDOTTSWSA-N	307.304	1.965	50	20	DDGD	
C[C@@H](NC(=O)CC(C)(C)C)C(=O)NNC(=S)NC(C)(C)C	899996337	SVDVRSQIARBIRY-SECBINFHSA-N	316.471	1.221	50	20	DDGD	
CO[C@H](C(=O)NNc1cc(F)c(F)c(F)c1)c1cnn(C)c1	798982184	FVYGBLTVWPAIER-LBPRGKRZSA-N	314.267	1.668	50	20	DDGD	
CCOC(=O)c1ccccc1S(=O)(=O)N1CC=C(C#N)CC1	799796991	BUIPKNXJOPLYNI-UHFFFAOYSA-N	320.370	1.708	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc(C#N)cc1)CC1CCC1	796537953	AADZEGLDHQNUBS-UHFFFAOYSA-N	314.389	1.441	50	20	DDGD	
Cn1cc(C=NNC(=O)N2CCOCC2)c2cc(F)ccc21	794857253	QLUSLNOKSIDYMS-UHFFFAOYSA-N	304.325	1.693	50	20	DDGD	
COc1cccc(C2(C(=O)NNc3nccc(OC)n3)CC2)c1	795165077	KOXJXWWYPMBUBC-UHFFFAOYSA-N	314.345	1.669	50	20	DDGD	
COc1ccccc1SCC(=O)NN=C1C(=O)OC[C@H]1C	794923600	RXTQBRBKYZRINU-SECBINFHSA-N	308.359	1.452	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1cc(C(N)=O)ccc1F	792248452	FMHUMQYRURDTQQ-UHFFFAOYSA-N	303.297	1.777	50	20	DDGD	
COc1c(C(=O)NNC(=O)C2CCCC2)cccc1[N+](=O)[O-]	793026699	JOCCTCYOPPMCCX-UHFFFAOYSA-N	307.306	1.555	50	20	DDGD	
CSSCCNC(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C	790875014	BTUZOSUKGNQXBK-DTWKUNHWSA-N	312.482	1.215	50	20	DDGD	
CC(=NNC(=O)COc1ccc(F)cc1)C(C)(C)n1cncn1	794484478	YPKNSSWSHBUCRA-UHFFFAOYSA-N	319.340	1.723	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1[N+](=O)[O-])c1cnoc1C	799471451	FCESKEUYJBVWSK-UHFFFAOYSA-N	318.289	1.810	50	20	DDGD	
CN1CCN(C[C@@H](CBr)C2CC2)C(C)(C)C1=O	1331350920	UHHLTWKCLSWERU-LLVKDONJSA-N	303.244	1.960	50	20	DDGD	
CCC(=NNC(=O)N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1	790173069	DEIRCGQXCJRIIK-UHFFFAOYSA-N	319.365	1.666	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2	792781386	YXEKBQYKQJOCNY-AVGNSLFASA-N	312.373	1.620	50	20	DDGD	
CCNC(=O)C1(CNC(=O)NCCSSC)CCC1	790832750	ZBOVUQMWACDARG-UHFFFAOYSA-N	305.469	1.603	50	20	DDGD	
C[S@@](=O)c1ccc(CC(=O)NNC(=O)CC(C)(C)C)cc1	798108905	JUJRTSXYBQIZFX-OAQYLSRUSA-N	310.419	1.550	50	20	DDGD	
C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)NN(C)C3CC3)c2N1	1142667517	LLGFPVVJLJGUOC-GMSGAONNSA-N	317.315	1.930	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H]1SCCc2ccccc21	1318849985	IORSAYJWSQOSRX-LBPRGKRZSA-N	309.460	1.921	50	20	DDGD	
CCc1ccccc1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1324130041	XDKFVROUUCKUNB-UHFFFAOYSA-N	312.373	1.926	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=CCCc1ccc2c(c1)CCO2	1321220538	OFBPKCPZXKAJBI-UHFFFAOYSA-O	310.377	1.644	50	20	DDGD	
Cc1cc(C)cc([C@@H](C)NC(=O)NNC(=O)C2CCNCC2)c1	1325666041	KKTFJDRETBHKMQ-CYBMUJFWSA-N	318.421	1.694	50	20	DDGD	
Cn1nc2ccccc2c1C(=O)NNC(=O)c1ccccc1F	1320436822	JMXKRFCWCLYGIQ-UHFFFAOYSA-N	312.304	1.787	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)NCCCCN)cc2C1	1325370355	FYEJGHQAIDGVFV-JTQLQIEISA-N	324.450	1.556	50	20	DDGD	
CN(CCNS(=O)(=O)c1ccc(CCCl)cc1)C1CC1	58938290	IBCZYHNZEGTPDG-UHFFFAOYSA-N	316.854	1.840	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@H]2CCO[C@H](C)C2)cc1	1320536618	WWSPFVXLLZIPHZ-NEPJUHHUSA-N	321.377	1.454	50	20	DDGD	
O[C@](CBr)(Cn1cncn1)c1ccc(F)cc1F	196813344	CFMLSIOEVNQGQY-LLVKDONJSA-N	318.121	1.839	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CCN2C(C)(C)C)c1	1331611447	ZVNDGGUMLCUOJO-ZDUSSCGKSA-N	305.378	1.789	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2ccc(O)c(C(=O)O)c2)cc1	1338401993	JWMBEMKDWVNTIU-UHFFFAOYSA-N	314.297	1.863	50	20	DDGD	
O=S(=O)(CBr)NCc1ccc2c(c1)CCO2	782431618	JCQOWSNGHJEORJ-UHFFFAOYSA-N	306.181	1.393	50	20	DDGD	
CO[C@H]1CCC[C@H]1C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	1336485365	RGGQKPCKJPLRND-MNOVXSKESA-N	321.333	1.383	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1nc(C2CC2)cs1	1263818233	PKJKOKMTEKTVPG-UHFFFAOYSA-N	308.285	1.527	50	20	DDGD	
C=CCC1(CNC(=O)NNC(=O)C2CCNCC2)CCCC1	1345141902	OTXCHWOJYGBIED-UHFFFAOYSA-N	308.426	1.453	50	20	DDGD	
Cc1ccc([C@@H]2C[C@H]2NC(=O)NNC(=O)C2CCNCC2)cc1	1349118571	IHQMYJATKALYCV-LSDHHAIUSA-N	316.405	1.181	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccn(CCC(F)(F)F)n1	1520831197	YRDAAQHQAYNDAP-UHFFFAOYSA-N	307.276	1.190	50	20	DDGD	
COCc1sccc1C(=O)NNc1ccc(C(=O)O)cn1	1606982264	RZOAAERBMFHEAD-UHFFFAOYSA-N	307.331	1.745	50	20	DDGD	
N#CSCCCNC(=O)c1ccc(F)c(-c2nn[nH]n2)c1	1606354642	MVZMTOPSXBPBMG-UHFFFAOYSA-N	306.326	1.340	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NNc1ccc(F)c(C(=O)O)c1	1603344534	LKLGHFYWPBIZGB-GFCCVEGCSA-N	309.341	1.840	50	20	DDGD	
Cc1ccc(NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)cc1	1609427257	WWZOGJXMQOVWOA-UHFFFAOYSA-N	324.344	1.697	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2oc(C(=O)O)cc2C)c1	1600648825	YBZUTLKQEYDHPU-UHFFFAOYSA-N	308.315	1.731	50	20	DDGD	
O=C(O)c1coc(C(=O)NNC(=S)Nc2ccccn2)c1	1608986642	OWRXKKHTULWANL-UHFFFAOYSA-N	306.303	1.004	50	20	DDGD	
CC[C@H](C)CC[C@H](O)CC(=O)NNc1ccc(C(=O)O)cn1	1609906220	DABGXAROTOAGJH-JQWIXIFHSA-N	309.366	1.800	50	20	DDGD	
O=C(O)c1cc(C(=O)NNC(=O)C2CCCC2)cc([N+](=O)[O-])c1	1608837450	NYZYUTLQUQHJNI-UHFFFAOYSA-N	321.289	1.244	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1ccc(-c2cn[nH]c2)cn1	1601560935	HAEFABUEHBZYFP-UHFFFAOYSA-N	323.312	1.927	50	20	DDGD	
O=C(O)c1ccc(Br)c(NNC(=O)C(F)F)c1	1608870875	SCRHDQZACSHABF-UHFFFAOYSA-N	309.066	1.856	50	20	DDGD	
CC[C@H]1NCC[C@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	1577308312	LNDNKYSGVIEZAL-NXEZZACHSA-N	302.300	1.932	50	20	DDGD	
CC(C)(C(=O)O)n1ccc(NC(=O)NCC(Cl)Cl)n1	1589676058	XSTIIQUFSMZUOA-UHFFFAOYSA-N	309.153	1.628	50	20	DDGD	
C[C@@]1(CNC(=O)C2(C(=O)O)CCOCC2)C[C@@H]1Br	1589240878	ARSUUALKBKVASR-KWQFWETISA-N	320.183	1.158	50	20	DDGD	
CCC(=O)C(=O)N1CCCC12CN(C(=O)[C@H](Cl)CC)C2	1845972913	XXNGKRLMOJLMQF-SNVBAGLBSA-N	300.786	1.186	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@@H](Cc1ccccc1)C(=O)O	1589693387	KLHITONRIWVLQH-GFCCVEGCSA-N	321.377	1.306	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)C1CCNCC1	1580735727	DNGQMMKIQOADLW-UONOGXRCSA-N	321.808	1.591	50	20	DDGD	
C[C@@H](C(=O)O)N(Cc1ccccc1)S(=O)(=O)CCCCl	1599831819	GBGZXNCGTJANGP-NSHDSACASA-N	319.810	1.920	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)c1ccc(-c2nn[nH]n2)s1	1593163666	CBMXFQQBGLXHQE-UHFFFAOYSA-N	322.300	1.963	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C2CCOCC2)ccc1C(=O)O	1594323249	PTKXPVKWKGTQRF-UHFFFAOYSA-N	321.333	1.273	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1C(F)(F)F)C(F)F	1593165587	SBVFGCCQOMMICJ-UHFFFAOYSA-N	322.197	1.594	50	20	DDGD	
Cc1cccnc1NNC(=O)c1ccc(OCC(=O)O)cc1	1594421373	VDMFKYSROGFQDW-UHFFFAOYSA-N	301.302	1.610	50	20	DDGD	
Cc1ccc(C(=O)NN[C@H](C)C(F)(F)F)cc1-c1nn[nH]n1	1592128116	LMBGEFQETSZJHK-SSDOTTSWSA-N	314.271	1.360	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1c[nH]c2ccc(C(=O)O)cc12	1594643196	RQZMLWXPZMUYCU-BXKDBHETSA-N	315.329	1.741	50	20	DDGD	
NC(=O)[C@@H]1CCCC(=NNC(=O)c2cccc(C(=O)O)c2)C1	1776096082	KARRQLVTUIHEPM-SECBINFHSA-N	303.318	1.146	50	20	DDGD	
Cn1cc(Cl)cc1C(=O)NNC(=O)c1ccc(Cl)nc1	12394189	ANJDIXRMHMJJMV-UHFFFAOYSA-N	313.144	1.802	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccnc2)c2c(C)noc2n1	14221284	BGKPOEVCJJUAHS-UHFFFAOYSA-N	311.301	1.309	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1cncc(Br)c1	17328925	ODMXQMQSFXZBIQ-UHFFFAOYSA-N	321.134	1.314	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2ccccc2O)cc1	17525912	WTVGIFPGAPVJGZ-UHFFFAOYSA-N	314.297	1.254	50	20	DDGD	
O=C(NCCn1ccnc1)NNc1ncnc2ccsc12	151360559	LNGMKQVADFYDKN-UHFFFAOYSA-N	303.351	1.214	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)Cn2ccc3ccccc32)n[nH]1	152246312	MMWNSXPAEXOZDR-UHFFFAOYSA-N	311.345	1.063	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)c1ccc(Cl)cc1OC	153361178	JNHKRTLNLKWGJD-VIFPVBQESA-N	314.769	1.925	50	20	DDGD	
CC(C)(C)S(=O)(=O)CC(=O)NNc1ccnc2ccccc12	156246969	WXYXEUUBXCIAFA-UHFFFAOYSA-N	321.402	1.891	50	20	DDGD	
COc1ccc(CNS(=O)(=O)CCCCCl)cc1O	154309254	VTJIUYFODNLVPF-UHFFFAOYSA-N	307.799	1.839	50	20	DDGD	
CC[S@@](=O)c1ccccc1C(=O)NNc1ccc(OC)cn1	159299828	UKXQIPFWLONEEM-QFIPXVFZSA-N	319.386	1.975	50	20	DDGD	
CCOC(=O)CCNS(=O)(=O)c1ccc(CCCl)cc1	41684857	IBMNIVOQBMXZOC-UHFFFAOYSA-N	319.810	1.699	50	20	DDGD	
CSSCCN=c1ccc2nnc(C(F)(F)F)n2[nH]1	397901176	SLJWFJMKICYJSU-UHFFFAOYSA-N	309.342	1.988	50	20	DDGD	
CNc1nnc(SCC(=O)NNC(=O)c2ccccc2)s1	7102008	DBUYAISCPHCJTN-UHFFFAOYSA-N	323.403	1.133	50	20	DDGD	
O=C(NNC(=O)c1c[nH]nc1-c1cccnc1)c1ccccc1	107045110	HGUCANOWZJDDAL-UHFFFAOYSA-N	307.313	1.547	50	20	DDGD	
CC[C@H](C)NC(=O)CCNC(=O)NNc1cccc([N+](=O)[O-])c1	56916304	ANXOYKQIPVTWRN-JTQLQIEISA-N	323.353	1.526	50	20	DDGD	
CC1(C)CC(=O)C(=CNNC(=O)c2cccc(C#N)c2)C(=O)C1	103533808	WLPCIZJAVXIROI-UHFFFAOYSA-N	311.341	1.635	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1ccc(OC)c(OC)c1OC	55008287	SKHWKXZHINVURD-ZRDIBKRKSA-N	320.345	1.773	50	20	DDGD	
Cc1ncc(C(=O)NNc2nc3ccccc3c(=O)[nH]2)s1	176782759	DEZXYKHBCZRUSX-UHFFFAOYSA-N	301.331	1.445	50	20	DDGD	
C=CCN1CCC(NC(=O)NNc2cncc(Cl)n2)CC1	171738967	BAHWIDPQZSFPCX-UHFFFAOYSA-N	310.789	1.407	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1	171167989	RIYHQBWNYBZNFD-MRVPVSSYSA-N	308.363	1.502	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2cccc3cnccc23)nc1	178499365	ZBMHWCFOWVPVSO-UHFFFAOYSA-N	307.313	1.486	50	20	DDGD	
O=C(CCc1cscn1)NNc1nc(-c2ccncc2)no1	170830785	PHJFHLFEGJNAMP-UHFFFAOYSA-N	316.346	1.664	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)NCC(F)(F)F)s1	60411380	FGUGCKHLGDJVOD-UHFFFAOYSA-N	324.328	1.910	50	20	DDGD	
CCCCNC(=O)NNC(=O)CSc1nc(C)cc(C)n1	64882212	CKHQEWNBMDPFBN-UHFFFAOYSA-N	311.411	1.316	50	20	DDGD	
CCOc1ncc(C(=O)NNC(=O)c2ccncc2)cc1Cl	112267194	HFEWNFBVTCTHMT-UHFFFAOYSA-N	320.736	1.604	50	20	DDGD	
N#Cc1cccc(NNC(=O)C(=O)Nc2cccc(C#N)c2)c1	119497171	XSROKHSLGKECGX-UHFFFAOYSA-N	305.297	1.512	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1cc(F)ccc1N1CCCCC1	123348203	CQRCGMDCUVPQKQ-UHFFFAOYSA-N	324.356	1.351	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)CN(C)C(C)C)cc1	127418606	KYGAJSNBICDHJO-UHFFFAOYSA-N	324.450	1.743	50	20	DDGD	
O=C(NC[C@H]1CC=CCC1)NNC(=O)c1cccc([N+](=O)[O-])c1	69240225	ATSSZJSBDPGRRN-NSHDSACASA-N	318.333	1.895	50	20	DDGD	
C[C@H](CS(C)(=O)=O)C(=O)NNc1ccc2ccccc2n1	181124439	ZLSFLZWPMSFQHY-SNVBAGLBSA-N	307.375	1.359	50	20	DDGD	
Cc1cnc(NC(=O)C(=O)NNc2ccc(F)cc2C)s1	189193929	NBEOSKMYIKVTDN-UHFFFAOYSA-N	308.338	1.981	50	20	DDGD	
O=C(NCc1coc(-c2ccccc2)n1)NNc1cccnn1	74570137	GFSMZFUATXXNHV-UHFFFAOYSA-N	310.317	1.958	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCC(C)(C)CO)cc(C#N)n1C	127761961	CDMCEJIJQRDKCA-ACAGNQJTSA-N	300.362	1.247	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	121181793	VRKBQRXHWXQNEA-SNVBAGLBSA-N	317.345	1.057	50	20	DDGD	
COc1ccc(NNC(=O)NC2CCN(CC(C)C)CC2)nc1	188920505	JMODFYBGQRYXMZ-UHFFFAOYSA-N	321.425	1.837	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1cccc(-n2ccnn2)c1	182076933	YXCJTHNPGSEQIC-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)Nc2cccnc2)cc1Cl	126450873	ALXRJWQGIDYAII-UHFFFAOYSA-N	315.720	1.688	50	20	DDGD	
O=C(NN(Cc1ccccc1)c1ccccc1)c1n[nH]c(=O)[nH]1	79622956	FOCNEIKTOXSWGR-UHFFFAOYSA-N	309.329	1.450	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)Cc1cccnc1)c1nccs1	183316875	VCHIJPSVYOLIDC-JTQLQIEISA-N	319.390	1.215	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cc(C)nn1-c1ccccn1	183312721	HNBWVKRRSQSTFW-SNVBAGLBSA-N	316.365	1.775	50	20	DDGD	
CCOC(=O)NNC(=O)Cc1ccc(F)cc1Br	187377629	IKGTYFWIFIENSU-UHFFFAOYSA-N	319.130	1.908	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccccc1O)c1ccc(C#N)cc1	47052592	DLXREVFGSDWMLK-LLVKDONJSA-N	324.340	1.969	50	20	DDGD	
Cn1nc(C(=O)NNc2c(Cl)cccc2Cl)ccc1=O	133180161	PMBFVXZKUYPFPM-UHFFFAOYSA-N	313.144	1.844	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCn1ccc2cc(Cl)ccc21	192913176	HGJJMIIPDKSZCK-UHFFFAOYSA-N	323.780	1.603	50	20	DDGD	
Cn1cc(CNC(=O)NNC(=O)c2cccc(Cl)c2)cn1	193885206	QJEUPBYUCZWQJA-UHFFFAOYSA-N	307.741	1.218	50	20	DDGD	
C=Cc1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)cc1	192014709	WMPKHTDCTKBMRT-UHFFFAOYSA-N	313.313	1.114	50	20	DDGD	
CCc1ccc(OCC(=O)NNC(=O)NCC(F)(F)F)cc1	46916832	KKHGULQDFIBOLY-UHFFFAOYSA-N	319.283	1.521	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccccc2O)nn1C(C)(C)C	44986818	SCLYTINTRDMDQO-UHFFFAOYSA-N	316.361	1.727	50	20	DDGD	
Cn1nnnc1SCCC(=O)NNc1cccc(Cl)c1	48687758	KIYZRSFOACGDLJ-UHFFFAOYSA-N	312.786	1.489	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn(C(C)C)c2C)c(O)c1	92717799	GWUSTQGBMOEBAF-UHFFFAOYSA-N	316.361	1.861	50	20	DDGD	
CN(CCO)c1ccc(C=NNC(=O)c2ccccc2O)cc1	252452702	WYXCFPOQXYNDGK-UHFFFAOYSA-N	313.357	1.585	50	20	DDGD	
Cc1nc2n(n1)C[C@@H](NC(=O)NNc1ccc(Cl)nc1)CC2	266841104	ORORGEOLIZCDCJ-JTQLQIEISA-N	321.772	1.276	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H](O)C2CC2)cc1	268422483	QQJGPCBKFZMZBM-SCZPIIQISA-N	300.358	1.879	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cnc2n1CCCC2	366655879	RQRGXCOQYRVSOX-UHFFFAOYSA-N	301.306	1.885	50	20	DDGD	
CCCc1nc(C(=O)NNC(=O)COc2ccc(F)cc2)co1	273524230	GPDQJPYGOSVXKK-UHFFFAOYSA-N	321.308	1.606	50	20	DDGD	
CCC[C@@H]1C[C@@H](C(=O)NNc2ccc(C(=O)OC)cn2)CCO1	272661832	HTRDCWSBEDFHLA-WCQYABFASA-N	321.377	1.907	50	20	DDGD	
CC[C@@]1(C)Oc2ccc(NC(=O)NNC(=O)CN(C)C)cc2O1	276769347	ODBZYTPRUWEGEJ-HNNXBMFYSA-N	322.365	1.298	50	20	DDGD	
Cc1ccc(CCC(=O)NCC(=O)N2CC=C(C#N)CC2)cc1	271097358	JKFUPJQKKHNLOL-UHFFFAOYSA-N	311.385	1.726	50	20	DDGD	
N#CC1=CCN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CC1	270920953	IXLDSMTZTIFYQI-SNVBAGLBSA-N	301.268	1.079	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(CC(F)(F)F)CC1(C)C	271684636	DBJGNKOGOIVZDF-DHZHZOJOSA-N	319.327	1.915	50	20	DDGD	
C[C@H](NC(=O)CC(C)(C)C)C(=O)NNC(=O)c1ccccc1O	275227312	SINBUAGEDNGEBJ-JTQLQIEISA-N	321.377	1.094	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@H]1CCO[C@]2(CCOC2)C1	374490631	XTUCHBDOVLJYMT-IINYFYTJSA-N	315.370	1.063	50	20	DDGD	
C[C@H](CO)CCCNC(=O)NNC(=O)c1cccc(Cl)c1	270363453	BZYPBFZXVRUYCT-JTQLQIEISA-N	313.785	1.693	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](c1ccccc1)N(CC)CC	272704564	VQYLDEBEHDTLCD-AWEZNQCLSA-N	306.410	1.762	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCC(C)(C)CCCO)n1	271857796	XAONNMBWOFXRAX-UHFFFAOYSA-N	311.386	1.218	50	20	DDGD	
CCn1cnc2c(c1=O)CCN(C[C@@H](C)CBr)C2	286306017	VWWSRJNIYNPIJE-JTQLQIEISA-N	314.227	1.652	50	20	DDGD	
COCCOc1cncc(C(=O)NNC(=O)CC2CCCC2)c1	282578085	WVXOYZREVADRRF-UHFFFAOYSA-N	321.377	1.448	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccn2C)c(C)c1OC	288233551	IQCZGPXTEPNHRF-UHFFFAOYSA-N	317.345	1.426	50	20	DDGD	
CSCc1noc(CCC(=O)NCCSSC)n1	284263932	XWHFBYMWEKLOBU-UHFFFAOYSA-N	307.466	1.993	50	20	DDGD	
CC(C)(C)OC(=O)NC1(C(=O)NNc2cccnn2)CCC1	295740593	GDPHILVGLSDKPT-UHFFFAOYSA-N	307.354	1.367	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)COc1ccccc1OC	294183331	AOMHWPDLEZAUGB-CYBMUJFWSA-N	310.350	1.037	50	20	DDGD	
O=C(NC[C@@H]1CCCS(=O)(=O)C1)NNc1ccc(F)cc1	807581843	ODYGGOQOSNOCPY-JTQLQIEISA-N	315.370	1.277	50	20	DDGD	
CN(C)CCn1nccc1NC(=O)NNC(=O)CC1CCCC1	297162962	GWKAIWKIUYRSDR-UHFFFAOYSA-N	322.413	1.178	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](C)NC(C)(C)CC	807369289	RKEJMFIWVWBKPR-LLVKDONJSA-N	317.430	1.090	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H](C)OCc2ccc(F)cc2)n1	294401257	OTAIFTQYOAGTLI-JTQLQIEISA-N	320.324	1.673	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNC(=O)[C@H]2CCCCO2)s1	295566832	NGPXEJYKPBIRAY-GFCCVEGCSA-N	324.402	1.736	50	20	DDGD	
CCCc1c(C(=O)NNc2ccncn2)[nH]c(C)c1C(=O)OC	295440020	KGGGRKOVQRYUMS-UHFFFAOYSA-N	317.349	1.609	50	20	DDGD	
O=C(NN=CCCC1CC1)c1csc(N2CCOCC2)n1	807953705	WKNHSALDSNGLPE-UHFFFAOYSA-N	308.407	1.886	50	20	DDGD	
N#CC1(C(=O)NNC(=S)NCCc2cccs2)CCC1	807917371	XXLHIQXVDDEBKX-UHFFFAOYSA-N	308.432	1.480	50	20	DDGD	
COC(=O)c1ccccc1CC(=O)NNc1cccc(F)n1	804766594	KZKCOBUYFRNWJO-UHFFFAOYSA-N	303.293	1.693	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(OC)c(OC)c1C	807965726	IWVGYJVGUFXMBR-UHFFFAOYSA-N	309.366	1.682	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)COc2ccccc2F)no1	294268639	GRXVYJZOSHEVOE-UHFFFAOYSA-N	321.308	1.606	50	20	DDGD	
CCCCCC(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	291222962	NPLKRPYOVCVRPD-UHFFFAOYSA-N	313.423	1.960	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NNc1ncccc1F	804868314	CMYMQIAKDZPHBS-UHFFFAOYSA-N	303.297	1.500	50	20	DDGD	
CCOc1ccc(NNC(=O)NCC2([S@@](C)=O)CC2)cc1	298020290	PRSRJTWTTQBSNE-OAQYLSRUSA-N	311.407	1.623	50	20	DDGD	
O=C(COc1cc(F)cc(F)c1)NNC(=O)c1ccccc1	809952551	AMHISYKPYKRRSJ-UHFFFAOYSA-N	306.268	1.805	50	20	DDGD	
COCCOc1ccccc1C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	294062086	ZVTHQCQVCOYRCE-FZMZJTMJSA-N	322.361	1.040	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1c[nH]c(-c2ccccc2)n1	295371106	JZHFECIOZNGLAY-ZDUSSCGKSA-N	314.345	1.407	50	20	DDGD	
CCOC(=O)c1nn(C)cc1/C=C(\C#N)C(=O)[C@H]1CCCOC1	291934403	OVCSIQCHYFXOEX-WBOGTDJTSA-N	317.345	1.499	50	20	DDGD	
O=C(NNC(=O)C1(F)CCCC1)Nc1ccc2c(c1)OCO2	802097784	AJTDKIJESWYPPA-UHFFFAOYSA-N	309.297	1.850	50	20	DDGD	
C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NNc1ccncn1	295435149	JYOFVXOQSCRDFR-JTQLQIEISA-N	309.370	1.423	50	20	DDGD	
N#Cc1cccc(NNC(=O)C(=O)Nc2cc3n(n2)CCCC3)c1	806984623	NEXZCKVMJZQRIZ-UHFFFAOYSA-N	324.344	1.173	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2cc(Cl)nc(Cl)c2)CCN1	819746736	FBVUSHWXGWPZDE-ZCFIWIBFSA-N	303.149	1.358	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@@H](O)c1ccc(Cl)cc1F	813424841	XYDGKRCMWABJDA-NSHDSACASA-N	315.732	1.253	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2cnn(CC(F)F)c2)c(O)c1	814219283	WCORTBGPPKDJIT-UHFFFAOYSA-N	308.288	1.926	50	20	DDGD	
O=C(NCCCOc1ccccc1F)NNc1ncncc1F	814275409	WKTFFXOBSUEQCP-UHFFFAOYSA-N	323.303	1.850	50	20	DDGD	
Cn1cc(C(=O)NN=C2CC(C(=O)O)(c3ccccc3)C2)cn1	814852369	UUOPIJAPDOYPRN-UHFFFAOYSA-N	312.329	1.322	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@](C)(O)C2CCC2)c1	813366550	URIJHFKMIMRWJF-INIZCTEOSA-N	322.361	1.016	50	20	DDGD	
CCOc1ccccc1CCNC(=O)NNc1ncncc1F	814293226	BFZHGEWYCCKGAV-UHFFFAOYSA-N	319.340	1.883	50	20	DDGD	
C[C@@]1(c2ccccc2)C[C@H]1NC(=O)NNc1ncncc1F	814305437	BGXNLUCJRQSOKF-DOMZBBRYSA-N	301.325	1.972	50	20	DDGD	
CC1(C)CC(=NNC(=O)C(=O)NC2CC2)c2ccc(O)cc2O1	814777930	JLVKCWJKYITTHT-UHFFFAOYSA-N	317.345	1.052	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)CNc1ccc(C)cc1	812456040	MTXIZRLHFJCJIW-QWHCGFSZSA-N	307.394	1.473	50	20	DDGD	
Cn1c(N)nc(Cl)c1C=NNC(=O)Cc1ccccc1F	814842963	WKAMMOIBWGQTIO-UHFFFAOYSA-N	309.732	1.488	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2c(C)nn(C)c2N)cc1OC	814699786	JSRKDJBLYABRCS-UHFFFAOYSA-N	317.349	1.092	50	20	DDGD	
O=C(NN=Cc1csc2ccccc12)[C@@H]1CCS(=O)(=O)C1	812455542	LTROHMRKVQJGIG-SNVBAGLBSA-N	322.411	1.786	50	20	DDGD	
Cn1nncc1NNC(=O)COc1ccc(Cl)c(Cl)c1	816770350	TWLDVTXDLYGGOT-UHFFFAOYSA-N	316.148	1.644	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H]1CCCCCC(=O)C1	813447172	POIALSNZNVERQH-LBPRGKRZSA-N	318.373	1.996	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(-n2nc(C)cc2C)c(F)c1	816561878	PBQVWIMFAXCMNU-UHFFFAOYSA-N	320.368	1.851	50	20	DDGD	
COc1cc(C=NNC(=O)N=c2cc[nH]cc2)cc(O)c1O	815004049	VYQOMKIIBNGFEK-UHFFFAOYSA-N	302.290	1.079	50	20	DDGD	
C=CCSCCNC(=O)NNC(=O)c1cccc(C#N)c1	728955219	LACWOZVFNJJWOT-UHFFFAOYSA-N	304.375	1.421	50	20	DDGD	
C=CCC(C)(C)C(=O)NNC(=O)c1nnc(O)c2ccccc12	814214981	KVNNGPYCIDMYHF-UHFFFAOYSA-N	314.345	1.699	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccccn1	826445977	TWIKSGYVCCQOIQ-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(CSc2nccn2C)o1	823966081	YVTOEBGKEZMVPC-JTQLQIEISA-N	324.406	1.263	50	20	DDGD	
CCCCNC(=O)NNC(=O)CSC[C@H]1CCCCO1	727373678	LPKYPJKCEKQDSE-LLVKDONJSA-N	303.428	1.419	50	20	DDGD	
Cc1ncoc1CNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	820224027	FAHFLSLPPOOWHM-PQMHYQBVSA-N	309.329	1.725	50	20	DDGD	
CC(=NNC(=O)Cc1cccnc1)c1ccc2c(c1)CC(=O)N2	728786685	SSEASQWCJFKSGZ-UHFFFAOYSA-N	308.341	1.659	50	20	DDGD	
CC(C)N1CCC[C@@H](CNC(=O)/C(C#N)=C\c2cnn(C)c2)C1	491163696	XRKNFSRJVJSOPQ-DCOUHSHFSA-N	315.421	1.564	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1	823940297	WLIVQRASILPBLD-MNOVXSKESA-N	312.797	1.893	50	20	DDGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2cnnn2C)cc1	490726017	MJRJWVCYGQLPKJ-YRNVUSSQSA-N	310.317	1.319	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@H](c2nc[nH]n2)C1	491082325	IOTWSTFZVBPWIA-ALFJJAPYSA-N	311.320	1.867	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H]2CO[C@H](C)C2)c(F)c1	828440574	ROGGGGYCMCFJAS-SCZZXKLOSA-N	311.313	1.416	50	20	DDGD	
CC(C)[C@H](C)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	495434086	MLUUHLHOGKRGIH-JTQLQIEISA-N	301.387	1.341	50	20	DDGD	
C[Si](C)(C)c1ccc(CNC(=O)NNC(=O)C2CCC2)cc1	820525681	AKFPCIYKDZKMJU-UHFFFAOYSA-N	319.481	1.862	50	20	DDGD	
C[C@H]1CCCC[C@H]1C(=O)NNC(=O)CNC(=O)OC(C)(C)C	496222835	DXFIMXZSGLYIFG-WDEREUQCSA-N	313.398	1.485	50	20	DDGD	
CN(NS(=O)(=O)c1cncc(Cl)c1)C(=O)OC(C)(C)C	497045381	QPIKSPSOHUKKEE-UHFFFAOYSA-N	321.786	1.795	50	20	DDGD	
CCN(CCO)NC(=O)c1c(C(F)(F)F)nc2ccccn12	823893239	AKZFPJMJDCXRGK-UHFFFAOYSA-N	316.283	1.312	50	20	DDGD	
O=C(NNC(=O)c1ncoc1-c1ccon1)NC1CCCC1	824342496	JIVKRSYILLNPOS-UHFFFAOYSA-N	305.294	1.216	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)/C=C\c1ccc[nH]1	492009920	NBBCAPZTURPDNU-TYBABMIJSA-N	317.320	1.782	50	20	DDGD	
C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NNC(=O)C(C)(C)C	495809017	HXLGSOGJLGEYAK-VIFPVBQESA-N	301.387	1.341	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNC(=O)COc1ccc(C#N)cc1	820631034	UFEWMSAOBDLDCA-CYBMUJFWSA-N	314.345	1.069	50	20	DDGD	
CCCN1CCC[C@@H](C(=O)NNC(=O)Nc2ccccc2)C1	908049766	LIEIUKSKQCUQPQ-CYBMUJFWSA-N	304.394	1.961	50	20	DDGD	
CCc1c(NC(=O)NNC(=O)c2cc[nH]n2)cnn1CC(C)C	822156376	QBVAGXVJWAKUPK-UHFFFAOYSA-N	319.369	1.291	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H]1CC1CCCCC1	584938146	XSSUEWNBCHSWID-QGZVFWFLSA-N	315.222	1.941	50	20	DDGD	
CC(C)c1nn(C)cc1C(=O)NNC(=O)c1cccc(C#N)c1	728826525	MMVGUJVJKINPMO-UHFFFAOYSA-N	311.345	1.490	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(N2C[C@@H](C)O[C@H](C)C2)ccn1	496392838	OOUXMFWRWDXJKL-GHMZBOCLSA-N	322.365	1.038	50	20	DDGD	
CN1CCCC[C@H](C(=O)NNc2cc(F)c(F)c(F)c2)C1=O	821163858	NGPIYIDLHLHKTE-SECBINFHSA-N	315.295	1.806	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCC[S@](C)=O)cc1	735051836	HDHALAZOUUXGIN-DGDFFNOKSA-N	306.387	1.487	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(C)cnc1Cl	900385349	TYSKYHCVCRNIRT-UHFFFAOYSA-N	300.746	1.024	50	20	DDGD	
O=[N+]([O-])c1cc(Cl)c(N2CC[C@H](B(O)O)C2)c(Cl)c1	585074128	UWUJGIODWCAMOC-LURJTMIESA-N	304.926	1.955	50	20	DDGD	
CC[C@@H](C)[C@@H](NC(=O)c1cc(B(O)O)ccc1F)C(F)(F)F	584984073	XMLSFPNYVQUMSY-RDDDGLTNSA-N	321.079	1.212	50	20	DDGD	
C[C@]1(C(=O)NCC(=O)Nc2cccnc2)C[C@@H]1Br	906498896	CFPDIIINUPVISS-CABZTGNLSA-N	312.167	1.310	50	20	DDGD	
CCCc1nc(C)c(NC(=O)c2cc(B(O)O)ccc2F)s1	584973173	BIJPKEMMGULZMV-UHFFFAOYSA-N	322.170	1.475	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H]1CSC(c2ccccc2)=N1	900220970	GWKLRNOKCGVENX-NSHDSACASA-N	305.403	1.742	50	20	DDGD	
COc1ccc(C=NNC(=O)c2c[nH]nc2C)c(OC)c1OC	735411367	BLDUHHTYUDRDAF-UHFFFAOYSA-N	318.333	1.508	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(-c2ccccn2)no1	833246344	IBBMNXMBPNHYEV-GFCCVEGCSA-N	316.317	1.067	50	20	DDGD	
O=CN1CCC[C@@H]1C(=O)NNc1ccccc1Br	830771741	QLZNFGBZSNFQGB-LLVKDONJSA-N	312.167	1.513	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	837652683	DUCILJKSYKXNAN-WCQGTBRESA-N	303.318	1.962	50	20	DDGD	
COc1cc(OC)c(OC)cc1C=NNC(=O)[C@@H]1CCCCO1	834989710	KDXBNZIFCWLTIH-LBPRGKRZSA-N	322.361	1.732	50	20	DDGD	
CC[C@@H](CNCc1ccc(B(O)O)o1)Oc1cccc(C)c1	585016970	GHNGXTRCISFZEI-ZDUSSCGKSA-N	303.167	1.215	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1Cl)NC1CN(C(=O)O)C1	833148486	KNPVJPLWPUSNFQ-UHFFFAOYSA-N	319.148	1.982	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](C)c1c(F)cccc1F	731282170	IZKWSWKCQMUINQ-MRVPVSSYSA-N	301.293	1.393	50	20	DDGD	
CO[C@H]1CC(=NNC(=O)c2ccnc(N(C)C)c2)C12CCC2	834956160	KJRLGUODHQACKC-ZDUSSCGKSA-N	302.378	1.822	50	20	DDGD	
COc1c(C)ccc(NCc2ccc(B(O)O)cc2F)c1C	585012514	JVVXQJCRQMNOLH-UHFFFAOYSA-N	303.142	1.743	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CN2CCCCC2=O)c(F)c1	837211085	NNHRTGLFSIZXMA-UHFFFAOYSA-N	323.324	1.068	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNC(=O)C1CCCC1)c1ccsc1	916449662	JZRJHUCWZQTDNJ-CYBMUJFWSA-N	324.450	1.871	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NC[C@H]2CCCNC2=O)c(C)c1	838776391	AVQHTLHTFYOEAU-CYBMUJFWSA-N	304.394	1.764	50	20	DDGD	
O=C(CCCCC(=O)c1ccc(F)cc1)NNc1nc[nH]n1	839769963	PUADLOYTALFMPX-UHFFFAOYSA-N	305.313	1.830	50	20	DDGD	
CCC[C@@H](C(=O)NNc1ccc(Cl)c(F)c1)S(N)(=O)=O	830843314	ZDVYIQQEZKQMND-JTQLQIEISA-N	323.777	1.379	50	20	DDGD	
Cc1nc([C@@H]2CCN(CCI)C2)n[nH]1	839660538	WIZGVNPDYANIFZ-MRVPVSSYSA-N	306.151	1.337	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C(F)(F)F)[nH]1	838061299	MTCBQUKVOCPVKZ-ZCFIWIBFSA-N	321.255	1.136	50	20	DDGD	
CC(C)n1nnnc1-c1ccc(NC(=O)NNC(=O)O)cc1F	833514469	XZOLGZZNHVCQNK-UHFFFAOYSA-N	323.288	1.364	50	20	DDGD	
C[C@@H]1CCC[C@](CNC(=O)NNC(=O)C(C)(C)C)(N(C)C)C1	919658483	RQIBWEQTMRVFOT-WBMJQRKESA-N	312.458	1.873	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N2)C1	910055764	WHEOBICHSQALHL-RYUDHWBXSA-N	312.486	1.888	50	20	DDGD	
CC1(OCC(=O)NNc2nc(-c3ccncc3)no2)CCC1	746162703	MWPGDKGMGGCWMZ-UHFFFAOYSA-N	303.322	1.534	50	20	DDGD	
CC[C@H](N)CNC(=O)NNc1ccc(C#N)cc1C(F)(F)F	842008316	UBYQDBDTNRPIDV-VIFPVBQESA-N	315.299	1.940	50	20	DDGD	
CC(C)c1cccc(OCC(=O)NNC(=O)N2CCOCC2)c1	745987942	NMRWUAQJNSSWNB-UHFFFAOYSA-N	321.377	1.262	50	20	DDGD	
CCNCCNC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	841935460	VPBWTJGKAZHCNH-CYBMUJFWSA-N	322.409	1.011	50	20	DDGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1[C@H]2CNC[C@H]21	843438682	QKPSPYSQEOAHEA-URLYPYJESA-N	319.752	1.299	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2F)nc1	747334919	YZEORLOXYFDKLZ-UHFFFAOYSA-N	317.707	1.930	50	20	DDGD	
COC(=O)Cn1cc(/C=C(/C#N)c2nc(C3CC3)cs2)nn1	843272839	OETVHAGFWLBWJM-WMZJFQQLSA-N	315.358	1.849	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)c2cccc(N(C)C)c2)o1	915943935	GODASYDNXMVUEV-UHFFFAOYSA-N	315.329	1.896	50	20	DDGD	
Cc1cc(C)c(/C=C/C(=O)NNC(=O)N2CCOCC2)cc1C	745986015	INSDCILQXUIXKW-SNAWJCMRSA-N	317.389	1.698	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1	910146453	DOUNNYJJUXBFMF-JSGCOSHPSA-N	320.393	1.027	50	20	DDGD	
COc1cc(C(C)=NNC(=O)N(C)C)ccc1S(C)(=O)=O	747049735	TXQLVWORNQAPLB-UHFFFAOYSA-N	313.379	1.094	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C(C)=O)c1	847503479	OERGPQHRELOJJB-VIFPVBQESA-N	319.361	1.330	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)[C@@H]1CCCN1C(=O)C1CC1	843855553	LUBLLXZNDMWQEI-LBPRGKRZSA-N	308.769	1.001	50	20	DDGD	
CC(=O)c1csc(C(=O)NNc2ccnc(N(C)C)n2)c1	740104267	GWHKJIALKMBSKS-UHFFFAOYSA-N	305.363	1.564	50	20	DDGD	
Cc1cc(C(=O)NN=c2cc[nH]cc2)ccc1N1CCOCC1	843852135	VIDIGDZEBMLYPH-UHFFFAOYSA-N	312.373	1.405	50	20	DDGD	
C[C@]1(C(=O)N2C[C@H]3C[C@@H](O)CC[C@H]3C2)C[C@@H]1Br	910468534	FKBOPBXNRVTAAL-FBUUZDRASA-N	302.212	1.779	50	20	DDGD	
Cc1c(F)cccc1S(=O)(=O)NNC(=O)C1CCCC1	743253263	LQPPKLLGQLZYCV-UHFFFAOYSA-N	300.355	1.634	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)c2cc3ccccc3o2)nc1	749480604	HEELFEIIXCCPPU-UHFFFAOYSA-N	305.293	1.884	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)SCc1nc2ccccc2[nH]1	840211293	NIUCIMOZRIYVAH-VIFPVBQESA-N	306.391	1.742	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNc2ncc(Br)cn2)CCO1	848322179	SGSDPPLUNYENIT-SFYZADRCSA-N	315.171	1.497	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@]2(C)CCCOC2)cc1	846378335	WXFIDCVBRGJDRI-INIZCTEOSA-N	306.362	1.662	50	20	DDGD	
C[C@@H](CCCCN)NC(=O)NNC(=O)CCOc1ccccc1	841996942	VHPXPCWTESOETP-ZDUSSCGKSA-N	322.409	1.303	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCCN2C)c1C	748556456	VSWRTJOZWUAVMG-ZDUSSCGKSA-N	306.435	1.715	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1	920054614	SHIIVRBCYIHUKC-VIFPVBQESA-N	306.322	1.585	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=Cc1cncn1C	755541088	ANTPUUHRENKKQN-UHFFFAOYSA-N	310.361	1.483	50	20	DDGD	
CC(C)Oc1cccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)n1	855098319	FYOANLXJKJYYLG-JTQLQIEISA-N	322.434	1.776	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCCN1CCOC[C@@H]1C	853677303	OEMMMCMOCOLXOF-LBPRGKRZSA-N	310.373	1.481	50	20	DDGD	
Cc1noc(CNC(=O)NC[C@]2(C)C[C@H]2Br)n1	856838411	GVDGFVSBTMALGW-XCBNKYQSSA-N	303.160	1.351	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2COC[C@@H]2C)c1F	926019873	RGJBAOUGLJRFOZ-KWQFWETISA-N	311.313	1.273	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)N[C@@H]1C[C@H]2CC[C@@H]1O2	854212702	VIHIPHJYJJLKAA-FXAINCCUSA-N	310.285	1.680	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)c1ccc(C)cc1)[C@H]1CCCO1	754513688	GQBZIWCQSYLORY-LSDHHAIUSA-N	319.405	1.303	50	20	DDGD	
CCn1nc(NC(=O)NNC(=O)c2c[nH]nc2C)cc1C1CC1	756888591	XGHKOGBCKIFPJC-UHFFFAOYSA-N	317.353	1.278	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NN=C1CCCOC1	853371962	OLGBORAKTPNLOK-CHWSQXEVSA-N	306.366	1.170	50	20	DDGD	
CCN1CCC[C@H]1CNC(=S)NNC(=O)c1ccc(C)o1	752246563	UQJSREHROCYHPF-NSHDSACASA-N	310.423	1.181	50	20	DDGD	
O=C(NNC(=S)NC[C@@H]1CCCCO1)NC1CCCCC1	758173298	ULLPWDPADVOJDC-LBPRGKRZSA-N	314.455	1.567	50	20	DDGD	
COCCN(C[C@@H](CBr)C1CC1)[C@@H](C)C(N)=O	859131563	WPIZNIQVWMWJBS-GXSJLCMTSA-N	307.232	1.230	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cccc(C(C)=O)c1	854282122	CVQGBNQPICAQFL-UHFFFAOYSA-N	323.418	1.377	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2(CO)CCOCC2)c1C	855624164	DEJQZOKLTVNZDA-UHFFFAOYSA-N	322.361	1.014	50	20	DDGD	
C[C@@H]1CCCN1S(=O)(=O)NC[C@@]1(C)C[C@H]1Br	856754897	PGRICKHAPHAOAS-OPRDCNLKSA-N	311.245	1.479	50	20	DDGD	
Cn1nncc1NNC(=O)C1(c2cccc(Cl)c2)CC(=O)C1	857270901	SQKYOIKBBJNOAO-UHFFFAOYSA-N	319.752	1.213	50	20	DDGD	
CC(C)C#CC(=O)NNC(=O)c1ccc(Br)s1	854239638	JBCMDHAMUVKGJO-UHFFFAOYSA-N	315.192	1.931	50	20	DDGD	
CCCCS(=O)(=O)NCC(=O)NNc1ccc(C)c(F)c1	856230458	QTFGIZOMUNOTOB-UHFFFAOYSA-N	317.386	1.297	50	20	DDGD	
COCCOc1ccc(NC(=O)NNc2ccccn2)cn1	920213200	UTLXKWKPSKXSAR-UHFFFAOYSA-N	303.322	1.650	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNC(=O)OCC(F)(F)F	856019154	QPRLHMIVKOPHPN-UHFFFAOYSA-N	314.260	1.286	50	20	DDGD	
N#CSCCCNC(=O)CCn1cc(Br)cn1	854363206	QCTMEKCQJQBDGX-UHFFFAOYSA-N	317.212	1.756	50	20	DDGD	
O=C(CN1CC[C@H]2C[C@H]2C1)NNC(=O)c1cccc(Cl)c1	852636312	RNZRFMACVCEBGM-JQWIXIFHSA-N	307.781	1.443	50	20	DDGD	
CC1CC(NC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)C1	753018027	BUXPMRZUIOSIMH-UHFFFAOYSA-N	313.361	1.615	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1ccc2c(c1)COC2	758387203	HLQXGLXAXAUCMC-UHFFFAOYSA-N	324.340	1.591	50	20	DDGD	
COc1c(Cl)cccc1NC(=O)NNC(=O)c1cc(C)[nH]n1	756204676	PKYHFAGHDDBRLL-UHFFFAOYSA-N	323.740	1.847	50	20	DDGD	
COC1(C(=O)NNc2cccc(S(C)(=O)=O)c2)CCCC1	754286782	XMQVSEOJXPWFHE-UHFFFAOYSA-N	312.391	1.492	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cc(Cl)ccc2O)nn1C	757753592	NCTZHNYOVPCEQN-UHFFFAOYSA-N	323.740	1.554	50	20	DDGD	
C[C@@]1(CNC(=O)NCCCN2CCCC2)C[C@@H]1Br	856717766	FSWYGBXOISGTIM-AAEUAGOBSA-N	318.259	1.945	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCSC[C@@H](C)C2)cc1	753838759	VOJWNBQRNXXELH-ZDUSSCGKSA-N	321.446	1.441	50	20	DDGD	
CCOc1ccc(C(=O)NN=C(C)Cn2cncn2)cc1OC	853274995	ADMRFTNKMPLHAP-UHFFFAOYSA-N	317.349	1.491	50	20	DDGD	
CC1(C)C(NC(=O)NNC(=O)COc2ccccc2O)C1(C)C	752020443	ROAIOJZCEZEEHS-UHFFFAOYSA-N	321.377	1.536	50	20	DDGD	
CC(C)C1(C(=O)NNc2ccccc2S(C)(=O)=O)COC1	934897136	HRFMKSSTWDIDSU-UHFFFAOYSA-N	312.391	1.206	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCCn1ccccc1=O	754548786	GHXWQYSTTYPCDK-KAMYIIQDSA-N	310.309	1.704	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)Cc1cc(C)[nH]n1)c1ccccc1	869012384	OUMYMYHQDGABQE-OAHLLOKOSA-N	316.361	1.186	50	20	DDGD	
Cc1cccc(-n2cc(C(=O)NN[C@@H](C)C(F)(F)F)nn2)c1	862308302	BZPUJKPFHVDUHN-VIFPVBQESA-N	313.283	1.761	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)COC(=O)C1=CCCC1	767386596	RWJHKVWFVOMVQS-UHFFFAOYSA-N	316.357	1.338	50	20	DDGD	
CCn1cccc(CNS(=O)(=O)CC(C)(C)CCl)c1=O	867204676	KNARZFFEVXIFAN-UHFFFAOYSA-N	320.842	1.553	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)OCC(=O)NCCC#N	766746823	JHHLCOUDCBFHQC-SECBINFHSA-N	305.172	1.369	50	20	DDGD	
Cc1noc(C2CC2)c1NC(=O)C(=O)NNC(=O)C1CCCC1	768238799	FDPRFLLLDZLMCK-UHFFFAOYSA-N	320.349	1.137	50	20	DDGD	
O=C(NN=C1CCOC[C@H]1CN1CCCCC1)c1cn[nH]c1	863153832	FJSKKFKNRHVDHQ-CYBMUJFWSA-N	305.382	1.018	50	20	DDGD	
COc1cccc([C@H](C)C(=O)NNC(=O)Cc2cc(C)[nH]n2)c1	869012413	PVGGTFIENYCQCN-NSHDSACASA-N	316.361	1.220	50	20	DDGD	
COc1ccc(NCc2cccc(B(O)O)c2)c2ncccc12	864032332	MXHXYKIUGARCRL-UHFFFAOYSA-N	308.146	1.535	50	20	DDGD	
C[C@H](NNC(=O)CN(C)c1ccc(Cl)cn1)C(F)(F)F	862310348	VTWCSUGDDWXIOK-ZETCQYMHSA-N	310.707	1.743	50	20	DDGD	
C[C@H](CC(N)=O)C(=O)NNc1ccc(OC(F)(F)F)cc1	863103400	YFVAHJFUSJERFF-SSDOTTSWSA-N	305.256	1.540	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccc(Cl)cc1F)C1CCC1	863893349	ORQVZKDJKBJOBD-UHFFFAOYSA-N	313.760	1.724	50	20	DDGD	
O=C(Cc1ccn(-c2ccccc2)n1)NNc1ncc(F)cn1	760914934	NYOHKSWSORWNHJ-UHFFFAOYSA-N	312.308	1.487	50	20	DDGD	
CCNC(=O)c1ccc(C)c(NCc2ccc(B(O)O)cc2)c1	864026356	GBEUGJNWJQLMIA-UHFFFAOYSA-N	312.178	1.037	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1	867512328	HHMGXEFBDQGXMS-QWRGUYRKSA-N	322.858	1.182	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H](CO)CC(F)F	760680611	WJKUXUUFOFYDCY-VIFPVBQESA-N	309.744	1.485	50	20	DDGD	
COC(=O)COCC(=O)NNc1nc2c(C)cccc2s1	1119049691	UPOPFBIGEZAUGJ-UHFFFAOYSA-N	309.347	1.237	50	20	DDGD	
CC[C@H](C)N[C@@H](CNC(=O)NN(C)C(=O)OC)c1ccco1	875575640	ROIFJOVVLBXQPT-QWRGUYRKSA-N	312.370	1.621	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNC(=S)Nc1ccc(OC)nc1	874955235	MHKAHTXXHXWLFO-CYBMUJFWSA-N	307.379	1.348	50	20	DDGD	
O=C(NNC(=O)C1(F)CCOCC1)c1nc2ccccc2s1	874913668	HQQAXUMGJOLYTB-UHFFFAOYSA-N	323.349	1.576	50	20	DDGD	
CN[C@@H](C)CCNC(=O)NNC(=O)Cc1ccc(Cl)cc1	1118031694	DVLUVLLDSHDYNU-JTQLQIEISA-N	312.801	1.211	50	20	DDGD	
CCNC(=O)c1ccc(C)c(NC(=O)NN(C)C(=O)OC)c1	878236175	RXVNWAAUFNXVDK-UHFFFAOYSA-N	308.338	1.479	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNC(=O)Cc1ccc(F)cc1)C(C)C	873808919	UTYQZXKJUHDVPO-CQSZACIVSA-N	324.352	1.351	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)c2ccccn2)c1-c1ccccc1	775521291	GLPRMXOZMRPNGU-UHFFFAOYSA-N	321.340	1.557	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNC(=S)Nc1ccc(OC)nc1	874955236	MHKAHTXXHXWLFO-ZDUSSCGKSA-N	307.379	1.348	50	20	DDGD	
CCC(CC)n1nc(C)cc1C(=O)NNc1nnc(C)c(O)n1	776222199	IHEMLWJLSVMMTC-UHFFFAOYSA-N	319.369	1.509	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1CC[C@H](C)C1	776337824	AOYDYUYOYVNJCI-CMPLNLGQSA-N	300.362	1.840	50	20	DDGD	
COC[C@H](C)NC(=S)NNC(=O)C(C)(C)c1ccccc1	871215164	QMBZYUDEEIAZKJ-NSHDSACASA-N	309.435	1.494	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc([C@@H]2CCC(=O)N2)c1	879890486	LWJXKGWQQWCKIM-ZDUSSCGKSA-N	306.366	1.252	50	20	DDGD	
CO[C@H]1CCC[C@@H]1CNC(=O)NNC(=O)Cc1ccccc1F	774791651	YBAORNOWRZQQLN-OCCSQVGLSA-N	323.368	1.514	50	20	DDGD	
N#Cc1ccc(NNC(=O)N[C@@H]2CCN3CCCC[C@@H]23)nc1	887791185	FUGXTMPKOKNMHD-OLZOCXBDSA-N	300.366	1.206	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C)cc1)c1cnn(C)c1C	778540305	QBVALRSJRYIPFH-UHFFFAOYSA-N	300.362	1.956	50	20	DDGD	
CC(C)(C(N)=O)C(=O)NNc1cc(Br)ccc1F	885147570	JJLLBQGJZOHVLX-UHFFFAOYSA-N	318.146	1.543	50	20	DDGD	
CS[C@H]1CCC[C@@H](NC(=O)NNC(=O)c2cccnn2)C1	883425245	PNJQLDAPRWAVOF-ZJUUUORDSA-N	309.395	1.095	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(Cl)cc1N	771893036	QKHZQVPPYMVCSV-SSDOTTSWSA-N	313.741	1.025	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cccc(OCC(F)F)n1	887145959	YORWYPOBCIGLQG-UHFFFAOYSA-N	311.288	1.290	50	20	DDGD	
CC[S@](=O)c1ccccc1C(=O)NNC(=O)C1CCOCC1	883061140	KAFOGKYBCALFST-QFIPXVFZSA-N	324.402	1.002	50	20	DDGD	
Nc1ccc([N+](=O)[O-])cc1C(=O)NNc1cccc([N+](=O)[O-])c1	787134214	WDKUTMUFDWVRTH-UHFFFAOYSA-N	317.261	1.842	50	20	DDGD	
COc1cccc(NNC(=O)NCCC(=O)NC(C)(C)C)n1	780000732	NZWDGWHVOMHISO-UHFFFAOYSA-N	309.370	1.021	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)[C@@H]1C[C@H]1c1cccc(F)c1	882665159	UYVKFKRARUIWBP-NWDGAFQWSA-N	300.355	1.288	50	20	DDGD	
Cc1cc(Br)cc2c1C(=NNC(=O)C(N)=O)CC2	782120130	SJLDVWMTOOUHGP-UHFFFAOYSA-N	310.151	1.009	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cn2c(C)nc3ccccc32)n1	897217818	WUTZPTGQNYBSKT-UHFFFAOYSA-N	323.356	1.509	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)[C@@H]2CCCCS2)c1	783603230	NLKXRBBHYOLJMB-LBPRGKRZSA-N	314.432	1.819	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@@H]1CN1CCn2c(nnc2-c2cn(C)cn2)C1	895843989	QOWCSFPLTMDPRB-CWSCBRNRSA-N	306.801	1.368	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@H]1COc2cc(F)cc(F)c21	784574336	YYMLSWGJJWQWKU-JTQLQIEISA-N	311.288	1.529	50	20	DDGD	
CC[C@@H](C)C(=O)NN=Cc1c(Br)c(C)nn1C	790287566	SIKTYCBWHNJYJJ-SSDOTTSWSA-N	301.188	1.987	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CCc2cncnc2)c1	794210342	HRPAAJOXITUHKN-UHFFFAOYSA-N	315.402	1.735	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)c1ccc2ccccc2n1	794891322	FINLEDYDPFTNPW-INIZCTEOSA-N	301.346	1.811	50	20	DDGD	
COc1cc(C=NNC(=O)c2cccc(C)n2)cc(O)c1O	794566974	LPMSZUKFIUSQSC-UHFFFAOYSA-N	301.302	1.574	50	20	DDGD	
COCC(=NNC(=O)c1ccc(O)c(O)c1)C1CCOCC1	794555988	MYRRHQBOVJLBGZ-UHFFFAOYSA-N	308.334	1.257	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1ccc(C(=O)N(C)C)cc1	792988077	WNPDWMCEZHPVTR-UHFFFAOYSA-N	320.393	1.448	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	794620320	SEZJVBAFJFHGFS-JTQLQIEISA-N	319.336	1.945	50	20	DDGD	
CC[C@H](C)n1nc(C(=O)NNC(=O)c2cccc(C)n2)cc1C	794080424	QRJQIFINELEODX-NSHDSACASA-N	315.377	1.941	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1cccc2c1CCO2	797671234	JQBOXHAIBIQKAG-UHFFFAOYSA-N	312.329	1.412	50	20	DDGD	
C[S@@](=O)C1(CNC(=O)NNc2ccc(Cl)nc2)CC1	799716659	WTSACHLNCKPTTQ-LJQANCHMSA-N	302.787	1.272	50	20	DDGD	
CCOC(=O)C(F)(F)[C@@H]1CCCC(=NNC(=O)CCO)C1	1319935254	ZCJCBPXFBSSDAP-SECBINFHSA-N	306.309	1.230	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H]1CCC(=O)c2ccccc21	1327358160	TUJDJUJHYPSGBP-GFCCVEGCSA-N	305.403	1.650	50	20	DDGD	
O=S(=O)(c1ccc(CCl)cc1)N1CCC2(C1)OCCO2	396596072	SDUQMGWQWZTLAP-UHFFFAOYSA-N	317.794	1.563	50	20	DDGD	
O=C(c1ccc(Br)c(F)c1)N1CC[C@H](B(O)O)C1	585069922	TZSQERHACVRCDX-QMMMGPOBSA-N	315.935	1.277	50	20	DDGD	
CNC(=O)c1cccc(C(=O)OC[C@@H](C)CBr)n1	1325677024	WZFNZCPNNOBAKE-QMMMGPOBSA-N	315.167	1.629	50	20	DDGD	
C=C[C@@H](COC)NC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	1320300304	BTIJEEGIDBOYIN-NSHDSACASA-N	321.381	1.289	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=O)C1CCNCC1	1331432782	LZKYSQVBEIZUQB-UHFFFAOYSA-N	321.337	1.056	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2conc2C(C)C)cc1	1331497732	JMNFEQNFQDCARY-UHFFFAOYSA-N	303.318	1.881	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1CCO[C@H](c2ccncc2)C1	1333191315	QWTMEVOODFFRCO-RYUDHWBXSA-N	308.338	1.214	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C[C@H](C)O2	1336678774	JNKITLLSASZGHP-JTQLQIEISA-N	319.361	1.142	50	20	DDGD	
O=C(NCCCc1ccsc1)NNC(=O)C1CCOCC1	1342419057	YITHVSJZKDIAIP-UHFFFAOYSA-N	311.407	1.438	50	20	DDGD	
Cc1cc(O)ccc1CC(=O)NNC(=O)NCC(F)(F)F	1346957400	IUFINEBYZMXQAP-UHFFFAOYSA-N	305.256	1.136	50	20	DDGD	
N#C/C(=C/c1cn(C[C@@H]2CCCO2)nn1)C(=O)C1CCOCC1	1351756176	JFWWTIIMCBAHQM-ODDCISTRSA-N	316.361	1.360	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)O)o1)c1ccc([N+](=O)[O-])cc1	1601552900	MYFLRJZMSVONBI-UHFFFAOYSA-N	303.230	1.650	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNc2cccc(C(=O)O)c2F)n1	1600599143	VCQDQYLIFOJBRQ-SECBINFHSA-N	320.324	1.808	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(C(=O)O)ccc2Cl)nc(N)n1	1600281906	PFMYSBJTSZGTBM-UHFFFAOYSA-N	321.724	1.476	50	20	DDGD	
Cn1nc(C(=O)NNc2ccc(F)c(C(=O)O)c2)cc1C1CC1	1600999053	YWVXTDHVYKSLBZ-UHFFFAOYSA-N	318.308	1.892	50	20	DDGD	
COC(C)(C)[C@@H](C)NC(=O)NNc1ccc(F)c(C(=O)O)c1	1606653180	YHEURWYPXDPQFR-MRVPVSSYSA-N	313.329	1.964	50	20	DDGD	
Cc1sc(C(=O)NNc2cccc(F)c2C(=O)O)nc1O	1600866118	FLTPVVZLSLNIMB-UHFFFAOYSA-N	311.294	1.751	50	20	DDGD	
O=C(O)[C@H]1CC[C@H](C(=O)NNC(=S)NCC2CCC2)CC1	1602213354	RVLOMPGPJXJAKQ-XYPYZODXSA-N	313.423	1.173	50	20	DDGD	
CCOC1CC(C(=O)NNc2ccc(C(=O)O)cc2OC)C1	1610026043	UJDYVZPNCIQZGH-UHFFFAOYSA-N	308.334	1.652	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)c(C)s1	1549317261	KKNHNXMGLCTDOR-UONOGXRCSA-N	307.419	1.678	50	20	DDGD	
O=C(NN=Cc1ccc(F)c(F)c1)[C@H]1CN2CCC[C@@H]2CO1	1549316869	UNRLCWVWQQIKHC-BXUZGUMPSA-N	309.316	1.278	50	20	DDGD	
CN(C)C1(C)CCC(=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)CC1	1549906150	YUUQGEBYBXTZCX-GIIGEWEBSA-N	322.453	1.216	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@@H]1C=NNC(=O)c1cccn1C	1552757505	FQFXGVGVZWVWDD-TZMCWYRMSA-N	315.377	1.735	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@H]2C=NNC(=O)c2ccon2)cn1	1553288370	ZGWAWXWOXGLSNK-GXFFZTMASA-N	303.322	1.292	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@@H]1C=NNC(=O)[C@H]1CCCCO1	1552762238	BLMCXKYIELLUEQ-MGPQQGTHSA-N	320.393	1.652	50	20	DDGD	
C[C@]1(N)CCCC[C@@H]1C(=O)NNc1cc(O)nc2ncccc12	1576531131	QIKRLAOZELALJG-BZNIZROVSA-N	315.377	1.686	50	20	DDGD	
COc1cccnc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1580094197	BEHGYBVUWGGSCU-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
N[C@@H](CC(=O)NNc1nc2ccccn2n1)Cc1ccccc1	1580365115	JHWGVNIWATUKDR-CYBMUJFWSA-N	310.361	1.133	50	20	DDGD	
CC(C)Nc1ccc(C(=O)NNc2ncccc2C(=O)O)cn1	1588927235	FOVOFGHZXNUQPB-UHFFFAOYSA-N	315.333	1.752	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)COC)C1	1842688881	RNANYHGDNAPHMW-NSHDSACASA-N	302.802	1.244	50	20	DDGD	
CC(C)(CCl)C(=O)N1CCCC12CN(C(=O)[C@H]1C[C@H]1F)C2	1841227003	TZIUNLGOQOVYJA-WDEREUQCSA-N	316.804	1.813	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2ncc[nH]2)C1	1842301509	SIZHHQCHVJQXNU-NSHDSACASA-N	324.812	1.634	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(C(=O)O)cc1F)c1nccn1C	1593102801	WZFSTCNOPZNKMD-QMMMGPOBSA-N	321.312	1.645	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[C@H]1C(=O)O	1594780169	LRHPUFZKPOPASN-JGVFFNPUSA-N	313.697	1.802	50	20	DDGD	
CCc1cc(CC(=O)NNc2cccc(C(=O)O)c2C)n(C)n1	1597471488	OLVFLMGHRHHSFU-UHFFFAOYSA-N	316.361	1.675	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2ccccc2-n2cnnn2)c1	150857354	RULBAHAPDMEUPC-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
CCNC(=O)NNC(=O)CSc1nccc2ccccc12	165368573	DZYIFGOBQRNKIL-UHFFFAOYSA-N	304.375	1.677	50	20	DDGD	
O=C(COCC(=O)NNc1ccccc1)NNc1ccccc1	151260447	HSWXNHKGCDYRPD-UHFFFAOYSA-N	314.345	1.290	50	20	DDGD	
N#Cc1cccc(NNC(=O)CCNC(=O)c2ccsc2)c1	152581498	CDLQTIMWPXNPHN-UHFFFAOYSA-N	314.370	1.883	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNc2ncccc2[N+](=O)[O-])cc1	153075879	CMTKCUGUNASGNR-UHFFFAOYSA-N	300.274	1.949	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)nc1	157533163	GQGGLKLCAOAARZ-GHMZBOCLSA-N	305.382	1.342	50	20	DDGD	
O=C(Cc1c[nH]c2ncccc12)NNC(=O)NCc1ccco1	157176736	XKWKSGILFBAHOK-UHFFFAOYSA-N	313.317	1.229	50	20	DDGD	
C[C@H]1OCC[C@]1(O)CNS(=O)(=O)c1ccc(CCl)cc1	312843582	LCRWQXXVQIAHOV-MFKMUULPSA-N	319.810	1.244	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)c1ccccn1	6571632	LCILLXOJSJMQPK-UHFFFAOYSA-N	302.359	1.722	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(C)c(OC)c2)n1	174484849	ZYHGDPALKBUIDB-UHFFFAOYSA-N	302.334	1.868	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)N[C@@H]1CC=CCC1	172596117	GRMWWCCWWDOIPB-CQSZACIVSA-N	303.362	1.642	50	20	DDGD	
CCO[C@@H](C)C(=O)NNC(=O)c1cc2ccccc2cc1O	66484248	KSJNMACMLQDNBH-JTQLQIEISA-N	302.330	1.731	50	20	DDGD	
CCn1nc(C(C)C)cc1C(=O)NNC(=O)Cc1cccnc1	103423909	WPBYSYUGEDFFLE-UHFFFAOYSA-N	315.377	1.425	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cn(Cc2cccs2)nn1	175990704	BHILKCHXKXRBDF-UHFFFAOYSA-N	321.406	1.585	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCC(c2ccccc2)CC1	109828196	VCFZPBQCMCYEDW-CYBMUJFWSA-N	303.406	1.812	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)c3ccon3)cc2C1	67286528	CQODHICXWZLUHG-MRVPVSSYSA-N	305.359	1.936	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]1c1c(F)cccc1F)c1ccc[nH]1	116165742	XNQJQXNRHZANAB-BDAKNGLRSA-N	305.284	1.858	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCC(=O)c2cccs2)n1	174496715	NSWMSNRXIBPTDN-UHFFFAOYSA-N	320.374	1.961	50	20	DDGD	
COCCOCCCNC(=O)NNc1cc(F)c(F)cc1F	115820575	JDLZTRNKTLBTNW-UHFFFAOYSA-N	321.299	1.783	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)NCCCC(F)F	1354193026	BZZMXESCDOBSRV-UHFFFAOYSA-N	321.349	1.762	50	20	DDGD	
O=C(NNC(=O)C(F)(F)C(F)F)c1ccc2c(c1)OCCO2	175829871	BREIYENDKWZNGH-UHFFFAOYSA-N	322.214	1.119	50	20	DDGD	
C[C@H](Oc1ccccc1)C(=O)NNC(=O)Cc1ccccc1F	66785007	XFVFHGNGVLQJPN-LBPRGKRZSA-N	316.332	1.983	50	20	DDGD	
C#CCCCCC(=O)NNC(=O)CSc1ccccc1O	180531398	QIMRCUYVQYLTRN-UHFFFAOYSA-N	306.387	1.825	50	20	DDGD	
Cc1ccccc1NNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O	120300679	WRYMHCRVPUGTNH-UHFFFAOYSA-N	309.325	1.978	50	20	DDGD	
CSC[C@@H](C)C(=O)NNc1cccc(S(C)(=O)=O)c1	181118399	NFXJMIPJPWFYHL-SECBINFHSA-N	302.421	1.532	50	20	DDGD	
O=C(NCC1(c2ccc(F)cc2)CC1)NNc1ncccn1	122370962	LWVOYMCJBIILOS-UHFFFAOYSA-N	301.325	1.974	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cc(Cl)c2c(c1)OCCO2	123218065	KTXKPEJBTKDWEX-UHFFFAOYSA-N	324.699	1.797	50	20	DDGD	
O=C(NNc1ncccn1)C(=O)Nc1ccc2ccccc2c1	120053754	ZLYFHDQHHCXJJR-UHFFFAOYSA-N	307.313	1.712	50	20	DDGD	
CCS(=O)(=O)c1ccc(C(=O)NNc2ccncc2)cc1	180529689	JXNFBNHQHQUUKA-UHFFFAOYSA-N	305.359	1.632	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccnc(O[C@H]3CCOC3)c2)cc1	183415567	PWSQENMSCHRWTD-HNNXBMFYSA-N	324.340	1.878	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCC[C@H]1CCCCO1	181834387	LFKQHGUWNZWZDR-CQSZACIVSA-N	323.368	1.658	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNC(=O)Cc1cn2ccccc2n1	182800761	LOKOJYXIASQTGK-GFCCVEGCSA-N	318.377	1.087	50	20	DDGD	
O=C(C[C@H]1C=CCCC1)NNC(=O)c1ccc2c(c1)OCCO2	186338329	PMUXDBDXGFKCHZ-LBPRGKRZSA-N	316.357	1.965	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NC[C@@H]1COC2(CCC(C)CC2)O1	182238765	WICMPAKBTMKJEZ-NMYQUPMPSA-N	308.378	1.868	50	20	DDGD	
Cc1ccc(C)n1-c1c(C(=O)NNC(=O)C(C)(C)C)cnn1C	126535993	SUTXRSCRUBFDON-UHFFFAOYSA-N	317.393	1.635	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)NC[C@@H](C)C#N)c1	182770872	QWULDMNQCXHZSD-NSHDSACASA-N	304.350	1.172	50	20	DDGD	
CCCCCNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	42845107	FUFSZEZIQQDZNX-ZDUSSCGKSA-N	307.350	1.347	50	20	DDGD	
Cc1cc(C)n(CCCNC(=O)NNC(=O)OC(C)(C)C)n1	43099247	HALAIRSJDFCROY-UHFFFAOYSA-N	311.386	1.629	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@@H]1CCO[C@H](C2CC2)C1	131041782	HWSYVOIRHWAFHZ-ZJUUUORDSA-N	311.773	1.714	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc2ccccc2oc1=O	41962153	BZUILZVFYINZTO-UHFFFAOYSA-N	303.343	1.088	50	20	DDGD	
CC(=O)NNC(=O)/C=C/c1ccc(I)o1	45826811	XTPWDEFBLOXBFI-HWKANZROSA-N	320.086	1.065	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CSCc2ccccn2)n1	48316548	NRRSNDRNOSQPAB-UHFFFAOYSA-N	303.391	1.865	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)N[C@@H]1C[C@H]1C1CCCCC1	83233795	QQZUKILRFQJVHT-LSDHHAIUSA-N	316.405	1.923	50	20	DDGD	
CC(C)C[C@@H](C(=O)NNc1cnccn1)N1CCCCC1=O	88377543	RHJRVYQRZWBFRO-LBPRGKRZSA-N	305.382	1.347	50	20	DDGD	
COC(=O)NNC(=O)c1cc(OC)ccc1Br	192589323	LUMPUMOWYLQWQF-UHFFFAOYSA-N	303.112	1.459	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(N(C)C)c2)cc(O)n1	132645508	AZEAUWXLTVPJHT-UHFFFAOYSA-N	314.345	1.236	50	20	DDGD	
COc1cc(F)cc(NNC(=O)Cn2ccc(C)cc2=O)c1	194941607	RHTSQRHNKASYAL-UHFFFAOYSA-N	305.309	1.448	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNC(=O)c2ccncc2)s1	194037606	ODWAEUKXCLJNDN-UHFFFAOYSA-N	317.370	1.876	50	20	DDGD	
Cc1ccc(C(=O)N(C)C)cc1NC(=O)NNc1cnccn1	92424410	VEXYUPJILZGQOF-UHFFFAOYSA-N	314.349	1.635	50	20	DDGD	
CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)NNC(=O)c1ccc[nH]1	92791850	YGEKWZZLPXAPJN-UHTWSYAYSA-N	322.409	1.798	50	20	DDGD	
CNC(=O)NNC(=O)c1nc(C(C)C)n(-c2ccccc2F)n1	266035430	FNOQDFYGFVDNLH-UHFFFAOYSA-N	320.328	1.104	50	20	DDGD	
CC(C)OCCCN(C)C(=O)NNC(=O)c1ccc(C#N)cc1	265925375	NIZNPNZMOVDGDF-UHFFFAOYSA-N	318.377	1.660	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc(N2CCOC2=O)cc1	264758302	MJWJNMOATDGAQS-UHFFFAOYSA-N	303.318	1.204	50	20	DDGD	
C[C@H]1CC[C@H](CCC(=O)NNC(=O)COc2ccccc2F)O1	266541929	GVNMBEZUOOADRA-NWDGAFQWSA-N	324.352	1.700	50	20	DDGD	
CC1(C)[C@H](NC(=O)NNC(=O)c2ccccc2O)[C@H]2CCO[C@H]21	265916932	CMBDTUWNYBFVGR-RAIGVLPGSA-N	319.361	1.150	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CNC(=O)c1cc2ccccc2[nH]1	266262731	NXRPSYPRRBJYTO-UHFFFAOYSA-N	316.361	1.091	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C)c1ccc(NC(N)=O)cc1	269492459	TZPVQAYYESPKPD-QSARLWQPSA-N	302.334	1.798	50	20	DDGD	
O=C(NNC(=O)c1ccc2nncn2c1)NC1CCCCC1	263827869	SGUCJCCOIHJMPF-UHFFFAOYSA-N	302.338	1.006	50	20	DDGD	
CCS[C@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)C(C)C	269320492	RSNOGXLBGVURTD-VIFPVBQESA-N	324.410	1.290	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCc1cn2c(n1)CCCC2	365132546	AVOFUOWUEFRMEH-UHFFFAOYSA-N	321.425	1.529	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)n1	271840320	FYGADZNTZPQWOV-FBIMIBRVSA-N	309.370	1.171	50	20	DDGD	
Cc1nc(NC(=O)NNC(=O)C2CC2)ccc1Br	274960098	ITSYRUUMBKFINV-UHFFFAOYSA-N	313.155	1.715	50	20	DDGD	
C=C[C@](C)(CCOC)C(=O)NNc1nc(-c2cccnc2)no1	275799160	ONEMBHGGLPMFOE-OAHLLOKOSA-N	317.349	1.804	50	20	DDGD	
CCOC1CC(CCNC(=O)NNc2nccc(OC)n2)C1	276424595	AQRAEIKJKOYVQU-UHFFFAOYSA-N	309.370	1.317	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)[C@@H]1CCCCS1	272913574	DVSKQAJQBVFJJX-ZDUSSCGKSA-N	318.402	1.469	50	20	DDGD	
C[C@@H]1CN(C(=O)/C(C#N)=C\c2ccc(O)cc2)CC[S@@](=O)C1	279292977	KONHLFIQVGTKJT-CYWYBKAUSA-N	318.398	1.526	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc(SC(C)(C)C)cc1C	274096844	VLYJRPSUBGHPAL-UHFFFAOYSA-N	323.418	1.991	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)CCC(=O)N1CCOCC1	281642028	ASYZFXVPTDUAFH-UHFFFAOYSA-N	319.405	1.640	50	20	DDGD	
CCN1C[C@@H](C(=O)NNC(=O)Nc2cccc(Cl)c2)CC1=O	283659631	DYBQCTHRJCJRJD-VIFPVBQESA-N	324.768	1.361	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2cc(C3CC3)ccn2)O1	297323396	HIINNGMMZBFNER-CABZTGNLSA-N	304.350	1.679	50	20	DDGD	
COc1nnccc1NC(=O)NNC(=O)Cc1ccccc1F	808903711	ILQPRNSXWRIETI-UHFFFAOYSA-N	319.296	1.020	50	20	DDGD	
CS[C@@H](C)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	291328787	VKGHCVAKTUBJTE-VIFPVBQESA-N	317.436	1.132	50	20	DDGD	
C[C@@H](C(=O)NNc1ccccc1S(=O)(=O)N(C)C)C1CC1	294686214	PWUSAOMYEVUXPP-SNVBAGLBSA-N	311.407	1.426	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)COc1ccc(F)cc1	800315651	ZMYPGAJNJHGJMN-RBZYPMLTSA-N	310.325	1.165	50	20	DDGD	
NC(=O)NCc1ccc(C(=O)NNc2ncccc2F)cc1	804220047	MWRHTWNJMKDDEY-UHFFFAOYSA-N	303.297	1.146	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CC[C@]1(C)CCC(=O)N1	805384747	DPVJJIQUXPCBGV-HNNXBMFYSA-N	320.349	1.795	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2c(C)nn(C(C)C)c2C)[nH]n1	292324429	BOWFRKNAAATGAA-UHFFFAOYSA-N	318.381	1.116	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)NC2CCCCC2)cn1	298141047	LTXAEBOTGCRMCM-UHFFFAOYSA-N	320.349	1.145	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)[C@H]1CCCCO1)c1ccc(F)cc1	295587787	OWWSFYQLEFIWGH-PLSXKVAHSA-N	306.337	1.946	50	20	DDGD	
Cc1ncc2n1CC[C@@H](C(=O)NN(C)C(=O)OC(C)(C)C)C2	297322053	RLGXRNWGAHJSKE-LLVKDONJSA-N	308.382	1.652	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)NCCCc2ccccc2)O1	297548920	CBPDFJHJHCROIE-JSGCOSHPSA-N	305.378	1.517	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CCc2cccnc2CC1	817325627	KZFSRUHKBHNUME-UHFFFAOYSA-N	316.405	1.737	50	20	DDGD	
O=C(CCc1cncs1)NNC(=O)c1ccc2c(c1)OCO2	814362463	DMUPVTVOKPCIAI-UHFFFAOYSA-N	319.342	1.266	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H]2CCc3cccnc32)cc1	819839843	SFVBZIGOZVTQBP-HNNXBMFYSA-N	324.384	1.679	50	20	DDGD	
O=C(NCC[C@@]1(O)C[C@H]2CC[C@H]1C2)NNc1ccc(F)cn1	814347208	YSSZEHIDVQAVBE-ZIBATOQPSA-N	308.357	1.788	50	20	DDGD	
C=CCCn1cc(C(=O)NNc2nccnc2C2CCC2)nn1	819533834	PQGIWHKYKZYIEW-UHFFFAOYSA-N	313.365	1.669	50	20	DDGD	
Cc1c(CC(=O)NNc2ccc3c(=O)[nH]ccc3c2)cnn1C	816602267	PGFCBSNWLRFVDV-UHFFFAOYSA-N	311.345	1.256	50	20	DDGD	
C[C@H](CCc1ccccc1F)C(=O)NNC(=O)c1ccnnc1	817694289	XIEMDIRNHSYUJT-LLVKDONJSA-N	316.336	1.646	50	20	DDGD	
NC(=O)C(=O)NN=C1CN(C(c2ccccc2)c2ccccc2)C1	814696537	JAEZBQPWWXGTRM-UHFFFAOYSA-N	322.368	1.049	50	20	DDGD	
CC(=NNC(=O)Cc1cn2ccccc2n1)c1cccc(CO)c1	814864250	WLVGYNSKNZSJFO-UHFFFAOYSA-N	322.368	1.910	50	20	DDGD	
CC(C)(C(=O)NNC(=O)C1CCC1)c1ccccc1[N+](=O)[O-]	815551669	CKWVSQNBHRABDV-UHFFFAOYSA-N	305.334	1.820	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H]1CCN(c2ccccc2Cl)C1	810584741	UUYHBQIWNVWOTQ-SNVBAGLBSA-N	310.785	1.517	50	20	DDGD	
C[C@@H](C(=O)N(C)CC(Cl)Cl)n1nnnc1C(C)(C)C	816628832	LTSMHCYKIBMXJZ-ZETCQYMHSA-N	308.213	1.794	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2cnn(C)c2)cc1C	725906551	UGBYQZZGLGFFQH-UHFFFAOYSA-N	303.391	1.668	50	20	DDGD	
Cc1ccc([C@@](O)(CC(=O)NN(C)C2CC2)C(F)(F)F)o1	819649063	CXXWGFCJDGWHDW-LBPRGKRZSA-N	306.284	1.853	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)[C@@H]1C[C@H](CC(=O)O)C1(C)C	814852195	NQOBHVTWDABLIA-NEPJUHHUSA-N	306.366	1.663	50	20	DDGD	
C[C@@]1(CC(=O)NNC(=O)c2ccccn2)CC1(Cl)Cl	822122841	ZDZYHSVOWGKVAN-LLVKDONJSA-N	302.161	1.817	50	20	DDGD	
CC(C)(C)OC(=O)NC1CC(=NNC(=O)c2ccncc2)C1	495589845	QIRCMMPSVGDPCW-UHFFFAOYSA-N	304.350	1.855	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H]1CC(=O)N(c2ccccc2F)C1	491044787	DAWCRUQXVHAWSX-NLYDNYMLSA-N	317.320	1.491	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)Cc1ccccc1OC)C(C)C	490994511	DDLOMPXXRGUCPD-ZDUSSCGKSA-N	303.362	1.226	50	20	DDGD	
CC(C)(C(=O)NNC(=O)Cc1cn2ccccc2n1)C1CCC1	826589965	MZKTUSMIOBFPSD-UHFFFAOYSA-N	314.389	1.851	50	20	DDGD	
COc1ccc(CCNC(=O)/C(C#N)=C\c2cnccn2)cc1	491086691	UVUFMLIOEKNIIX-UVTDQMKNSA-N	308.341	1.751	50	20	DDGD	
O=C(NCCc1cccc(O)c1)NNC(=O)c1ccccc1O	727239549	OIJZFRANIQTXPZ-UHFFFAOYSA-N	315.329	1.285	50	20	DDGD	
CCN(CC)C(=O)CNC(=O)NNc1cccc([N+](=O)[O-])c1C	728131825	DYVFMYYHONXXAI-UHFFFAOYSA-N	323.353	1.398	50	20	DDGD	
C[C@@H](CNC(=O)/C(C#N)=C/c1cnn(C)c1)N1CCC[C@@H](C)C1	491100816	BSZQLGIJRIKWRS-KQXDMJLLSA-N	315.421	1.564	50	20	DDGD	
O=C(COc1ccc(F)c(F)c1)NNC(=O)CC(F)(F)F	823368706	NKPJBRMRJCPFLB-UHFFFAOYSA-N	312.194	1.443	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1csc(-c2ccccc2)n1	490868674	JNAORKHTGIWKIW-UHFFFAOYSA-N	313.360	1.359	50	20	DDGD	
CO[C@@H]1COC[C@H]1NC(=O)NNc1cc(F)c(F)cc1F	827924331	CIISOAONBBFTRB-GHMZBOCLSA-N	305.256	1.144	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccc(C(F)(F)F)c(C)c1	495368198	YQGFSGFUHIMUPJ-UHFFFAOYSA-N	319.239	1.340	50	20	DDGD	
CC[C@@H]1CCCCN1CCNC(=O)/C(C#N)=C/c1cnn(C)c1	491162195	QZJLNBALZYATQZ-AAGJOFLKSA-N	315.421	1.708	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccccc1N1CCCC1	495366870	JOYVDPFFFWULEC-UHFFFAOYSA-N	320.349	1.003	50	20	DDGD	
CCN(CCO)NC(=O)c1cn(CCCC#N)c2ccccc12	823879868	VKVKRLWMOOHJMI-UHFFFAOYSA-N	314.389	1.904	50	20	DDGD	
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN(C)C1CC1	496311682	UMKGQCROCKDIHA-NSHDSACASA-N	317.455	1.758	50	20	DDGD	
Cc1cc([C@@H](C)NCc2cccc(B(O)O)c2)cc(C)c1F	585028359	JTTXPNBYFSNQLT-CYBMUJFWSA-N	301.170	1.973	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C/c2cc(C(=O)O)cs2)n1	490693450	IXJWFYJKDMEASE-XBXARRHUSA-N	302.315	1.725	50	20	DDGD	
C[C@H]1CC(=NNC(=O)CCCNC(=O)OC(C)(C)C)[C@H](C)O1	496651582	RTMGROQKNWQGLD-QWRGUYRKSA-N	313.398	1.961	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc(CN2CCCC2)cc1	729343921	JIDSTMJYARBKSU-UHFFFAOYSA-N	316.405	1.636	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1cccc(-c2ccccc2)c1	495748998	VFIYUACASJNALD-UHFFFAOYSA-N	306.343	1.903	50	20	DDGD	
CN(NC(=O)[C@@H]1CCO[C@H]1CNC(=O)OC(C)(C)C)C1CC1	496942697	JCQHKVCQXPPDFS-NEPJUHHUSA-N	313.398	1.042	50	20	DDGD	
CN(NC(=O)[C@H]1CSCN1C(=O)OC(C)(C)C)C1CC1	496515588	VRTUYDDDOUIWKZ-SNVBAGLBSA-N	301.412	1.422	50	20	DDGD	
CN1C[C@H](N(C)C(=O)/C(C#N)=C/c2ccc(O)cc2)CCC1=O	491009077	JKBYIPZZRJQBQL-KADHNRKRSA-N	313.357	1.378	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1cc(Cl)c(C)cc1Cl	495327212	WLLKRMBPYXVLTG-UHFFFAOYSA-N	320.132	1.628	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)CO[C@@H]2CCC[C@H](C)C2)n1	732950177	SBGVSFOQMJPOQV-SMDDNHRTSA-N	322.409	1.243	50	20	DDGD	
CC(C)(Nc1ccccc1)C(=O)NNC(=O)[C@H]1CCCCO1	908518420	XBYKARNZLMQTFE-CYBMUJFWSA-N	305.378	1.594	50	20	DDGD	
Cc1cc(C)cc([C@H](C)NCc2ccc(B(O)O)cc2F)c1	585021452	KWBLLUKWRBQQAH-ZDUSSCGKSA-N	301.170	1.973	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)o1)c1ccccc1C(F)(F)F	585026361	MMZAICADXWHZEK-VIFPVBQESA-N	313.084	1.829	50	20	DDGD	
Cc1ncc(C(=O)NNc2ccc(C(F)(F)F)nn2)n1C	901201702	SPZAZHMXWUCHGG-UHFFFAOYSA-N	300.244	1.294	50	20	DDGD	
O=C(Cn1cc(C2CC2)cn1)NNc1cnc2ccccc2n1	832211421	AHNPMVGSNAAEOI-UHFFFAOYSA-N	308.345	1.847	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccnc(NC2CCC2)c1	907697042	DOVBMRRKYVPHKM-UHFFFAOYSA-N	323.360	1.846	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CC[C@@H](c2nc[nH]n2)C1	491174705	IOTHOLWAENTGBJ-BFTHVDOESA-N	309.329	1.433	50	20	DDGD	
CCOC(C)(C)CNC(=O)NNC(=O)Nc1ccc(OC)cc1	836416261	WRGQIVKSCWXWJR-UHFFFAOYSA-N	324.381	1.846	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)CCc1cccc(F)c1	901854598	KEDQITUOFRFJPV-JTQLQIEISA-N	302.371	1.365	50	20	DDGD	
CC(C)n1ncc2c1[C@H](NCc1ccccc1B(O)O)CCC2	585036670	NVHSOGXALBQIPV-MRXNPFEDSA-N	313.210	1.311	50	20	DDGD	
O=C(/C=C/c1ccco1)NNC(=O)COc1ccccc1O	730779911	MFKVZHDANGKOID-BQYQJAHWSA-N	302.286	1.225	50	20	DDGD	
C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1ccc(B(O)O)cc1	584989498	FHFMMBBCIGGCFI-OCCSQVGLSA-N	303.211	1.653	50	20	DDGD	
C[C@@H]1CC(CCNCc2ccc(B(O)O)cc2F)C[C@@H](C)O1	585043132	YCTQICHKLFDNLI-VXGBXAGGSA-N	309.190	1.189	50	20	DDGD	
CN(C)CCn1cc(NC(=O)[C@@]2(C)C[C@@H]2Br)cn1	906483753	OVZIZELKJVEHKK-JQWIXIFHSA-N	315.215	1.557	50	20	DDGD	
CC(C)(CC#N)CNC(=O)NNC(=O)COc1ccc(F)cc1	838754892	HVLFRRDIDMLXFU-UHFFFAOYSA-N	322.340	1.475	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc3c(c2)C[C@H](C)O3)n[nH]1	831417470	BRACKIMNJKAUNU-VIFPVBQESA-N	300.318	1.116	50	20	DDGD	
CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](B(O)O)C2)c1	585072092	HZICOQHEFUCWLG-MRVPVSSYSA-N	310.140	1.006	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cn2nc(C)cc2C)cc1F	837051747	NKUCSXXRJKURLB-UHFFFAOYSA-N	320.324	1.569	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1)C1CCC1	839473801	JQPUCAHBDAFIRY-UPJWGTAASA-N	311.426	1.069	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1cc(Cl)ccc1-c1nn[nH]n1	736586744	PJDZKGDZWLRSOI-FPLPWBNLSA-N	318.724	1.903	50	20	DDGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCCO)c1C	913150817	IOQKLXLUZNLVMR-IYVNWDGISA-N	306.362	1.755	50	20	DDGD	
CCn1cc(C=NNC(=O)C(=O)NC(C)C)c2ccccc21	915049761	XKZPOJZBPXCSBS-UHFFFAOYSA-N	300.362	1.636	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1nc(C)c(C(=O)OCC)s1	749933189	AYDFKBRFBRYNAD-YFHOEESVSA-N	323.374	1.688	50	20	DDGD	
N#CCOc1ccccc1C(=O)NNc1ncnc2[nH]cnc12	743471212	VNJWGGRNDXJLQJ-UHFFFAOYSA-N	309.289	1.012	50	20	DDGD	
CCc1ncc(C=NNC(=O)CCN2CCCCCC2)cn1	841611502	VGGSGPPYRSMBLL-UHFFFAOYSA-N	303.410	1.755	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H](C)CN2CCC(C)CC2)nn1	841614578	MWSDLHVRCXGGOJ-CYBMUJFWSA-N	303.410	1.603	50	20	DDGD	
CC(C)C[C@@H](CN)NC(=O)NNC(=O)c1cccc(N(C)C)c1	841953866	LSDBCXNBFJWSMZ-ZDUSSCGKSA-N	321.425	1.070	50	20	DDGD	
C[C@@H](C(=O)NNc1nc2ccccc2n1C)C(=O)OC(C)(C)C	848381847	VZELPFXHCOYEKL-JTQLQIEISA-N	318.377	1.994	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(C(C)C)n1	843663669	ZEQVLIVRXJPGIB-RYUDHWBXSA-N	305.378	1.699	50	20	DDGD	
CCn1ncnc1C=NNC(=O)[C@H](C)Oc1ccc(F)cc1	848403530	WWZZYVWPCOWPSZ-JTQLQIEISA-N	305.313	1.355	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@H]1CC12CCOCC2)c1ccccc1	748848894	APOMXDXDFORNIR-AWEZNQCLSA-N	316.401	1.928	50	20	DDGD	
O=C(NN=C1CCN(CC(F)(F)F)CC1)c1cnccn1	915960133	QWXGQNAURFKSOG-UHFFFAOYSA-N	301.272	1.221	50	20	DDGD	
Cc1ccc2oc(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)cc2n1	843647015	LMLRJFWNXQZBNH-VHSXEESVSA-N	303.318	1.322	50	20	DDGD	
C[C@]1(c2ccccc2)C[C@H]1NC(=O)NNC(=O)Cc1ccncc1	747508358	GXBFXHHUNPDZBW-CRAIPNDOSA-N	324.384	1.685	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)CCN1CCCCCC1	749758682	QIMQFHLCLXGBOD-LBPRGKRZSA-N	300.472	1.546	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc2nc(O)n(CC)c2c1	847391871	HLKNFZSHSGLECH-UHFFFAOYSA-N	319.365	1.506	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2	844398335	PGIXSRHYBUFLOJ-VNQPRFMTSA-N	314.385	1.953	50	20	DDGD	
Cn1cc(C=NNC(=O)c2cc(Br)ccc2O)cn1	741768677	JHXFTIIBOOSNCJ-UHFFFAOYSA-N	323.150	1.652	50	20	DDGD	
COc1csc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1	746815663	CRCYSNLNROFEEV-UHFFFAOYSA-N	320.326	1.560	50	20	DDGD	
COc1cccc(OCC(=O)NNC(=O)CC(F)(F)F)c1	918367508	WQSRJXLHKNQFNV-UHFFFAOYSA-N	306.240	1.174	50	20	DDGD	
CCN1C[C@H](CNC(=O)NNc2ccc(Cl)nc2)CC1=O	845492776	HVMLGADIHCPOMY-VIFPVBQESA-N	311.773	1.230	50	20	DDGD	
C[C@H]1CCN(C)c2ccccc2N1CC(=O)NNC(=O)C1CC1	746473032	TUZZUWUQOOFAKY-LBPRGKRZSA-N	316.405	1.279	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CN(C)c1nc2ccccc2s1	910166979	AYWQBFVZBTWJRK-SNVBAGLBSA-N	308.407	1.076	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1cc(F)c(OC)cc1OC	844274635	FIVRKGKHDOLFMC-KPKJPENVSA-N	322.336	1.903	50	20	DDGD	
N[C@H]1CCC[C@H](NC(=O)NNc2cc(F)c(F)cc2F)C1	841980867	ITRNBDKZMVLQIS-YUMQZZPRSA-N	302.300	2.000	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=C1CCc2c1cccc2[N+](=O)[O-]	848413107	KGAPGGRYIYCCHI-NXEZZACHSA-N	303.318	1.786	50	20	DDGD	
CC[C@@H](N)CNC(=O)NNC(=O)c1ccc(Cl)cc1F	842004868	LEEOBCSYPVAAPE-MRVPVSSYSA-N	302.737	1.160	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)[C@@H]1CCCN1C(=O)C1CC1	843902938	JRTVISBAGUQTEV-NSHDSACASA-N	310.304	1.204	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)c2ccccc2)CCCC1	843515116	HZPWDAYASKMAKK-UHFFFAOYSA-N	304.346	1.571	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1ccc2c(c1)OCC(=O)N2	842556375	AVUXKCNHISTWMB-JQWIXIFHSA-N	317.345	1.283	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@H]1CCc2cncn2C1	844133563	ZUEUTJMXVDEGKJ-LBPRGKRZSA-N	324.344	1.639	50	20	DDGD	
CN(CCc1ccccc1)[C@@H]1CCN(S(=O)(=O)CCl)C1	849454588	LMAHKSWMBGFDOX-CQSZACIVSA-N	316.854	1.761	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)c1nnc(O)c2ccccc12	749757096	MALLKAIYWNBMHB-MRVPVSSYSA-N	319.390	1.243	50	20	DDGD	
CCN(CC)c1ccc(C=NNC(=O)N2CCOCC2)c(O)c1	745603202	XESBMRLQTBIVSG-UHFFFAOYSA-N	320.393	1.614	50	20	DDGD	
C[C@@H](Cc1cnc[nH]1)C(=O)NNc1ccnc(Br)c1	847747052	JUZYHWHJADQGTE-QMMMGPOBSA-N	324.182	1.889	50	20	DDGD	
CCC(CC)n1nc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1C	843657898	DCUGSHUWHCAEKQ-YPMHNXCESA-N	322.409	1.739	50	20	DDGD	
O=C(NN=Cc1cc2ccccc2nc1O)N1CCOCC1	745603123	UKFYSISZRROEJC-UHFFFAOYSA-N	300.318	1.316	50	20	DDGD	
CCc1cc(NC(=O)NN(C)C(=O)N2CCNCC2)ccc1F	841236213	AOYQPOQTXVPVAL-UHFFFAOYSA-N	323.372	1.382	50	20	DDGD	
COC(=O)c1cccc([C@H](NNC(=O)CC2CC2)C(=O)OC)c1	842149265	KZBYOJKRIJKJJU-AWEZNQCLSA-N	320.345	1.108	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@H]2C[C@]23CCOC3)c1	843869730	BCTNGASPNYRFMK-CJNGLKHVSA-N	318.377	1.650	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cccc(COCC2CC2)c1	756226709	BHFHCXPYKQFIKY-UHFFFAOYSA-N	307.350	1.412	50	20	DDGD	
COCCOCCNC(=O)NC[C@@]1(C)C[C@H]1Br	856825844	CKCLZMOGTHPERG-MWLCHTKSSA-N	309.204	1.122	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)/C=C\c1cccc(O)c1)C1CC1	855100137	VFSNSISQPJRSBF-NVDWLVSRSA-N	305.403	1.699	50	20	DDGD	
CC[C@@H]1CN(C)CCN1C(=O)NC[C@]1(C)C[C@@H]1Br	856957983	IVCPYJAPQCPCIH-MDZLAQPJSA-N	318.259	1.896	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC3(C2)OCCO3)C[C@@H]1Br	856954996	JVGCODFFTUHVRI-GXSJLCMTSA-N	319.199	1.318	50	20	DDGD	
O=C(NC[C@@H]1C[C@H]1C1CCCCC1)NNC(=O)c1cn[nH]c1	858492502	XNYJWWUVAXRSAU-AAEUAGOBSA-N	305.382	1.570	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cccc(Nc2ncccn2)c1	921039648	XFEXJWXWWHSGQI-UHFFFAOYSA-N	314.349	1.574	50	20	DDGD	
CCn1nccc1NC(=O)NNC(=O)c1ccc2ccccc2n1	757903340	TUKMOPULTZYUNK-UHFFFAOYSA-N	324.344	1.918	50	20	DDGD	
COC(=O)C1(C(=O)OC[C@@H](CBr)C2CC2)CC1	859639176	VIANVNDCAYAUGY-SECBINFHSA-N	305.168	1.904	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)COc2ccc(C)c(C)c2)O1	756900912	DESOUYPHZVLRDN-HIFRSBDPSA-N	320.389	1.787	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCOCCN2)c1C	854693263	WVGAGEPCPPGCMS-LFIBNONCSA-N	316.405	1.785	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=C/C=C\c1ccco1	920369869	BDDSDUFKHKKKTQ-SROKDWKNSA-N	304.331	1.422	50	20	DDGD	
CC(C)N1CC(=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)[C@H](C)C1	754262027	XTGLIUUPALBTCA-SNVBAGLBSA-N	319.365	1.623	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2C[C@H](C)Cc3c[nH]nc32)n1	857859133	CDFJCCZKNJYHHU-LDYMZIIASA-N	316.365	1.326	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1ccccc1OC)[C@@H]1CCCO1	756072902	NAXNOTSLBRPRAP-OCCSQVGLSA-N	321.377	1.597	50	20	DDGD	
CCCc1[nH]ccc1C(=O)NN(C)C(=S)NCCCOC	854285446	DKMUMAVDGMRBNR-UHFFFAOYSA-N	312.439	1.455	50	20	DDGD	
O=C(NCCN1CCNC1=O)NNc1ccc(Cl)cc1F	924046579	MERGKMNCEBYWJD-UHFFFAOYSA-N	315.736	1.130	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@]1(C)C[C@@H]1Br	856900806	PIAGKOWWAUWORU-KWQFWETISA-N	306.204	1.536	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNC(=O)Cc1cn2ccccc2n1	859803869	IUYBUZOKFXHOSI-CYBMUJFWSA-N	318.377	1.229	50	20	DDGD	
CCn1nc(C)c(CNC(=O)NNc2ccc(F)c(F)c2)n1	922953395	LVXCECKYOKCUFU-UHFFFAOYSA-N	310.308	1.711	50	20	DDGD	
CC(C)(O)CN1CCC(=NNC(=O)c2cccc(Cl)n2)CC1	853410759	XOBTZHQEMMEEFD-UHFFFAOYSA-N	324.812	1.688	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1c(F)cc(F)cc1F)[C@@H]1CCCO1	922047680	ZLPBQARXKCEVNS-NEPJUHHUSA-N	313.279	1.911	50	20	DDGD	
Cc1ccc2[nH]c(C(=O)NNc3ccc(C(N)=O)nn3)cc2c1	757402157	ISBKCTACELIKER-UHFFFAOYSA-N	310.317	1.122	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCc2ccc(OC)cc2C1	752730971	IGBDDLOTPSAULI-LBPRGKRZSA-N	320.389	1.708	50	20	DDGD	
Cc1ccc(NCC(=O)NN=C2CN(C3CC3)C[C@@H]2C)cc1	755881296	WRQGKXDFCJRYGM-ZDUSSCGKSA-N	300.406	1.993	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC[C@H]1c1ccc(F)cc1	852393558	HFJFZLUFTOIPTI-GDLCADMTSA-N	321.352	1.738	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCC(=NNC(=O)c2cccc(F)n2)C1	853444791	STFVZWUFGSIRCN-JTQLQIEISA-N	313.354	1.294	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(OC(F)F)c(F)c1	854922045	VZVBIMYMCXANBR-UHFFFAOYSA-N	307.297	1.508	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F)C1CC1	858144442	QJZKJJLWZSHETL-QMTHXVAHSA-N	324.352	1.556	50	20	DDGD	
COC[C@H](OC)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	854206028	BEUHRIZCOWVEJS-ZDUSSCGKSA-N	308.378	1.407	50	20	DDGD	
O=C(COc1ccc(F)c(F)c1)NNC(=O)NC1CCCC1	930965901	PALPOWGWYUTNEX-UHFFFAOYSA-N	313.304	1.617	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1C[C@H]1C(F)(F)F	867974436	SUFYJYZKQADCNA-NXEZZACHSA-N	301.268	1.890	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1cc([N+](=O)[O-])ccc1C	863148604	FXUNVYDYZQMFRD-LBPRGKRZSA-N	304.306	1.022	50	20	DDGD	
COCCCn1cc(C(=O)NNc2cc(C)nc(C)n2)cn1	863880781	FBDFVDYRTGQKBY-UHFFFAOYSA-N	304.354	1.083	50	20	DDGD	
Cn1nc(C2CC2)cc1C(=O)NNC(=O)CCc1ccccc1	931349086	SVLDOMRYBOXVBT-UHFFFAOYSA-N	312.373	1.691	50	20	DDGD	
COC[C@@H](NS(=O)(=O)CC(C)(C)CCl)[C@H]1CCCO1	867207752	VIIFXJIBTNHWJS-GHMZBOCLSA-N	313.847	1.365	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)C1(F)CCOCC1	867709602	NOQAVQWRGMEVGV-UHFFFAOYSA-N	323.353	1.562	50	20	DDGD	
CCOc1ccc2ccccc2c1C(=O)NNC(=O)C(C)(C)O	935562807	IMSSXOCGNNJWKV-UHFFFAOYSA-N	316.357	1.770	50	20	DDGD	
O=C1CCCN1c1cccc(NCc2ccc(B(O)O)cc2)c1	864019235	VXTNWCKJVLVRSJ-UHFFFAOYSA-N	310.162	1.105	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NN[C@H](C)C(F)(F)F)nc1C	862307989	UYJCQPFHCKACOG-MRVPVSSYSA-N	319.283	1.752	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NN=c2cc[nH]c(C)c2)C1	862511705	YLIYKYYAAIKUOQ-OCCSQVGLSA-N	318.421	1.540	50	20	DDGD	
O=C(CCc1cn[nH]c1)NNc1ccc(C(F)(F)F)nn1	863900282	NMGHNOXCHFKOHF-UHFFFAOYSA-N	300.244	1.294	50	20	DDGD	
OB(O)c1ccccc1CNc1ccc(OC(F)(F)F)cc1	864018814	WWZWRWNNPQFHEO-UHFFFAOYSA-N	311.068	1.877	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1cncc(Br)c1	767379481	YEIKLNHSOMYSCI-UHFFFAOYSA-N	319.162	1.932	50	20	DDGD	
CC(C)=C[C@@H]1[C@@H](C(=O)NNC(=O)Cc2cc(C)[nH]n2)C1(C)C	869013094	MBJUDXRNDFGWOF-OCCSQVGLSA-N	304.394	1.646	50	20	DDGD	
O=S(=O)(CCl)N1CCN(Cc2ccc(O)cc2)CC1	867703910	TVRIWYIHOCYCOT-UHFFFAOYSA-N	304.799	1.036	50	20	DDGD	
CCCN1CCCC[C@H]1C(=O)NNC(=O)c1cccc(Cl)n1	1119596427	WWWABLWQUPRKTP-LBPRGKRZSA-N	324.812	1.761	50	20	DDGD	
CCOc1cccc(C=NNC(=O)Cn2nc(C)cc2C)n1	763139808	NZSHTZNBUBKIAF-UHFFFAOYSA-N	301.350	1.444	50	20	DDGD	
CO[C@H](C)CCC(=O)NNC(=O)c1nc2ccccc2s1	874914086	KMSHXPCDDFJQKP-SECBINFHSA-N	307.375	1.872	50	20	DDGD	
CCN([C@@H](C)C(=O)NNC(=O)CC(C)C)[C@H](C)C(F)(F)F	879357384	JIZCPKHWJKQYNJ-VHSXEESVSA-N	311.348	1.841	50	20	DDGD	
C[C@@H]([C@H](C)C(=O)NNc1cc(Cl)ccc1F)S(C)(=O)=O	871271508	QFRLLKASUGNBFW-YUMQZZPRSA-N	322.789	1.991	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@@H](C)c1ccccc1	771844372	BKAVFHSIPRERKU-NEPJUHHUSA-N	306.362	1.669	50	20	DDGD	
CN(C)C(=O)OCCOC(=O)/C(C#N)=C/c1ccc(O)cc1	1116662947	DXRHOAKPUIVHTI-FMIVXFBMSA-N	304.302	1.541	50	20	DDGD	
CO[C@H](CC(=O)NNC(=S)Nc1ccccn1)C(F)(F)F	874957822	URQPQMKQVSJLDL-SSDOTTSWSA-N	322.312	1.367	50	20	DDGD	
C[C@@H](CBr)CN1CCN(C[C@@H]2CCCO2)CC1	770645832	LNLLGNHKDWJYMM-STQMWFEESA-N	305.260	1.814	50	20	DDGD	
O=C(NN=C1CCCNc2ccccc21)[C@H]1CCS(=O)(=O)C1	774364795	SASJWYFKDUJGOJ-NSHDSACASA-N	321.402	1.147	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ncc(Cl)s2)n1	1116874672	NDGPZDZJJZXAFO-UHFFFAOYSA-N	313.770	1.071	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](C)c1cccc(-n2cccn2)c1	875331167	SDMAZEYMPYUTEN-NSHDSACASA-N	317.349	1.846	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(-c2cncnc2)cc1F	775894944	KXURLGREGLTLRT-UHFFFAOYSA-N	317.324	1.589	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(OCC(F)F)ccn1	887146772	KQTWRDDPYRTULO-UHFFFAOYSA-N	311.288	1.290	50	20	DDGD	
COc1c(C)cc(C(=O)NNC(=O)C2CCOCC2)cc1C	883067790	VZXNKBCKMZYOJK-UHFFFAOYSA-N	306.362	1.500	50	20	DDGD	
CN1C(=O)CCN(S(=O)(=O)CCCCl)c2ccccc21	881910259	HHHWRZMSZKUMGK-UHFFFAOYSA-N	316.810	1.818	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2nnc(O)c3ccccc23)CCO1	773193060	MZEUOMJNQXODMP-VIFPVBQESA-N	300.318	1.620	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1ccc(OCC=C)cc1	887149116	KADQJYRJNFCIBG-UHFFFAOYSA-N	300.358	1.745	50	20	DDGD	
C[C@@H](c1ccccc1)[C@@H](O)CNS(=O)(=O)CCCCl	882418233	DBMJMHWTCBASTP-AAEUAGOBSA-N	305.827	1.699	50	20	DDGD	
C[C@@H]1CC[C@@H](C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)C1	776300276	GWWYAAWDOTWPSV-ZYHUDNBSSA-N	324.402	1.287	50	20	DDGD	
O=S(=O)(CCCCCl)N1c2ccccc2C[C@H]1CO	882751203	DYEIYQVYWCVTHY-LBPRGKRZSA-N	303.811	1.759	50	20	DDGD	
Cn1nccc1COCC(=O)NNc1ccc2ccccc2n1	786525516	KRAYFRIEPOZKKB-UHFFFAOYSA-N	311.345	1.628	50	20	DDGD	
OCCSCc1cn(/C(Cl)=C/CBr)nn1	881309994	BATYDHBMIIWAEM-UNXLUWIOSA-N	312.620	1.936	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(C(=O)OC(C)(C)C)ccn1	880037225	SSRWAMZNNZTJJO-UHFFFAOYSA-N	324.381	1.652	50	20	DDGD	
COCCN(C)NC(=O)Nc1nc2ccc(Cl)nc2s1	888791495	OQVLGJHEJAMBFA-UHFFFAOYSA-N	315.786	1.959	50	20	DDGD	
O=C(NN=Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)C(F)F	782236978	FWHZCPOLOWTSRL-UHFFFAOYSA-N	322.271	1.563	50	20	DDGD	
Cn1c(O)nc2cc(C(=O)NNC(=S)NC(C)(C)C)ccc21	899995523	STDSWPGPMDUEIX-UHFFFAOYSA-N	321.406	1.186	50	20	DDGD	
CCS[C@H](C(=O)O[C@@H](C)C(=O)NNC(=O)CC)C(C)C	785817726	CARYCQDLNKOFFQ-ONGXEEELSA-N	304.412	1.253	50	20	DDGD	
COCC(=NNC(=O)COc1ccccc1F)C1CCOCC1	780196055	IXNDVUSVQJODOL-UHFFFAOYSA-N	324.352	1.750	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H](C)Cc2ccncc2)nc1	781003942	IEKCBHMDFWYPOS-LLVKDONJSA-N	301.350	1.743	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ncncc1Cl)N1CCCCC1	781000681	LBTVPWJPVRHIJN-JTQLQIEISA-N	312.805	1.631	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21)c1ccc(Cl)cc1O	892948524	UJDVQHOCJUMTDW-JFUSQASVSA-N	308.721	1.032	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)C1	780787459	MTQSHXHKYLEFSC-BDAKNGLRSA-N	322.321	1.433	50	20	DDGD	
C#CCSCC(=O)NNc1ccc(C(=O)OCC)c(C)c1	897813177	RRXNCYVAIWJZIB-UHFFFAOYSA-N	306.387	1.981	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1cccc(C)c1F	781559626	OPXLDIBZASNKOL-UHFFFAOYSA-N	303.359	1.427	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2CCN3CCCC[C@H]23)n1	780005152	DHADKDSTAWOMOF-VXGBXAGGSA-N	305.382	1.343	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2c(C)c(O)c(C)c(C)c2O)n[nH]1	799874310	GNEZIJIKEWORLI-UHFFFAOYSA-N	316.361	1.747	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)CC1	799520927	UALFUZKMQIIDDN-NSHDSACASA-N	324.352	1.557	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)CCN1C(=O)CCC1=O	899893168	MVBVTSJPRGULRE-UHFFFAOYSA-N	320.301	1.656	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCN2CCC[C@H]2C)cc1	897473630	AUPBWJRQNKIECC-CYBMUJFWSA-N	318.421	1.677	50	20	DDGD	
O=C(Cc1ncccc1F)NNc1ccc(C(F)(F)F)nn1	792276472	FJKDHGCJXWQDHG-UHFFFAOYSA-N	315.230	1.715	50	20	DDGD	
COc1cc(CC(=O)NNc2nc3ccccn3n2)ccc1C	791257780	KGQHJISWOAPORB-UHFFFAOYSA-N	311.345	1.732	50	20	DDGD	
CSSCCNC(=O)NCCCN1C[C@H](C)O[C@H](C)C1	790667342	JVTDLWUXIJGBNS-TXEJJXNPSA-N	321.512	1.796	50	20	DDGD	
CCc1cccc2c1OCCC2=NNC(=O)N1CCOCC1	794903561	NIJIGPXRWMVKOX-UHFFFAOYSA-N	303.362	1.777	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NNC(=O)c1ccc(C)o1	798096058	ZFKOVWGCEVOCQP-WCQYABFASA-N	307.350	1.513	50	20	DDGD	
COC(=O)C[C@@H]1CCC(=NNC(=O)NCC(F)(F)F)[C@H]1C	794494059	IARJIRKGSHPETK-YUMQZZPRSA-N	309.288	1.813	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccnn1-c1ccccc1	792633047	LWMWPQOFOYKBIU-UHFFFAOYSA-N	312.251	1.586	50	20	DDGD	
Cc1noc(C2CCC(=NNC(=O)C(=O)N3CCCC3)CC2)n1	797402748	MVDITDWBJIHWDB-UHFFFAOYSA-N	319.365	1.130	50	20	DDGD	
CC(=O)c1cc(C(=O)NNc2nnc(C)c(O)n2)ccc1C	790494750	LZFHSAAYHJPXJZ-UHFFFAOYSA-N	301.306	1.154	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2nccnc2Cl)n2cccc21	790724096	NKRXRANKLZYELB-SECBINFHSA-N	305.725	1.592	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)COc1ccccc1F	794614189	SZRVFCFHLPQEIW-UHFFFAOYSA-N	305.309	1.556	50	20	DDGD	
Cc1cccnc1NNC(=O)CNC(=O)c1cccc(F)c1	791218915	FKGYWVVRLDNHBM-UHFFFAOYSA-N	302.309	1.402	50	20	DDGD	
CN(C)c1ncccc1C=NNC(=O)CNc1ccccc1F	1323309480	FSIYROPRUSEUOR-UHFFFAOYSA-N	315.352	1.849	50	20	DDGD	
COc1cccc(NNC(=O)CCc2nc3cccnc3[nH]2)n1	1320202461	IRCQHXBHIAREIM-UHFFFAOYSA-N	312.333	1.437	50	20	DDGD	
CCC(C)(C)OCCNC(=O)NNC(=O)c1ccc(OC)cc1	1328205032	XFSSRCYIOTYNHQ-UHFFFAOYSA-N	323.393	1.844	50	20	DDGD	
Cc1noc(C2CC2)c1NC(=O)C(=O)NNc1ccccn1	1320568202	GSLOPGRJBJLZFP-UHFFFAOYSA-N	301.306	1.337	50	20	DDGD	
C[C@H](CBr)COC(=O)c1ccc(C(N)=O)nc1	1320638450	UAWBDKZKGDNKCD-SSDOTTSWSA-N	301.140	1.368	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccccc1CC(=O)NC	1337765884	JJZVSOQTCQYQJP-JTQLQIEISA-N	306.366	1.174	50	20	DDGD	
C[C@@H]1CCN(CCNC(=O)NNC(=O)Cc2ccc(F)cc2)C1	1334336149	MWCNYCDWPSRAIR-GFCCVEGCSA-N	322.384	1.040	50	20	DDGD	
O=C(CCc1ncccn1)NNC(=O)c1ccccc1Cl	1330106045	YRQALBBOEWMLIH-UHFFFAOYSA-N	304.737	1.524	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C[C@@H]2CCC(=O)[C@H]2C)cc1	1344414534	AGRKQTAISKYLEU-JQWIXIFHSA-N	304.346	1.462	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccc(-c2ccco2)cc1F	1343981324	HXPQPHKCHVNMOU-UHFFFAOYSA-N	307.281	1.621	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)C2(O)CCSCC2)c1F	1602446945	XCFPWONJSYQBDU-UHFFFAOYSA-N	314.338	1.225	50	20	DDGD	
Cc1cc(C)nc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1	1609399446	YQRNTMZIMIEODX-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
Cn1nc(C2CC2)cc1C(=O)NNc1ccc(C(=O)O)cn1	1601013310	PERIMUFMFOOCSS-UHFFFAOYSA-N	301.306	1.148	50	20	DDGD	
CCOC(=O)N(C)CCCC(=O)NNc1cccc(C(=O)O)c1	1605547395	PFWMKHQXXSNBEH-UHFFFAOYSA-N	323.349	1.696	50	20	DDGD	
Cc1c(NNC(=O)NCCc2ccccn2)cccc1C(=O)O	1600053831	VNVYZAHCVLBLMP-UHFFFAOYSA-N	314.345	1.957	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC[C@H](C(=O)O)CC1)NC1CCCCC1	1608478949	BQIGSLKUVUBENY-XYPYZODXSA-N	311.382	1.541	50	20	DDGD	
O=C(O)COCCNC(=O)NNc1ccc(OC(F)F)cc1	1602079880	MSTPCWFTQNBPDN-UHFFFAOYSA-N	319.264	1.015	50	20	DDGD	
NC(=S)c1ccc(C(=O)NNc2ccccc2C(=O)O)cc1	1610641006	FHFSZLZMKVEZKH-UHFFFAOYSA-N	315.354	1.776	50	20	DDGD	
O=C(NN=Cc1ccc2cc[nH]c2c1)[C@H]1CN2CCC[C@@H]2CO1	1549684486	BWECQMCIMQEGMB-GDBMZVCRSA-N	312.373	1.481	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1cc(C(=O)O)co1	1610377219	DTVLXHVGPJALPT-UHFFFAOYSA-N	324.314	1.138	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H](C)OC[C@H]2CCCO2)cc1C(=O)O	1610509924	SXCATSFJYJRJDD-DGCLKSJQSA-N	322.361	1.720	50	20	DDGD	
CCCCCCCC[C@H](N)C(=O)NNC(=S)NC(C)C	1577430099	NXSKNLCWTDCXMN-LBPRGKRZSA-N	302.488	1.968	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H](C(C)C)[C@H](C)N)cc1C	1579727542	PCPGKQFQXYXZMP-BBRMVZONSA-N	321.421	1.449	50	20	DDGD	
C[C@H](N)c1nc(C(=O)NNC(=O)Nc2ccccc2)cs1	1576175560	KPLRJPCMTAKOBL-QMMMGPOBSA-N	305.363	1.629	50	20	DDGD	
CO[C@H]1CN[C@](C)(C(=O)NNc2ccc([N+](=O)[O-])cc2C)C1	1573960613	LERZWQBSDNGOSG-RISCZKNCSA-N	308.338	1.113	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2C[C@]23CCCNC3)cc1F	1578870994	NYGMLHJOVCFBRC-LRDDRELGSA-N	321.352	1.445	50	20	DDGD	
N[C@@H](Cc1cc2ccccc2o1)C(=O)NNC(=O)C1CCCC1	1580135145	XRJCIVJRCREIAA-AWEZNQCLSA-N	315.373	1.640	50	20	DDGD	
NCCCCCC(=O)NNC(=O)c1ccnn1-c1ccccc1	1580292626	GUQLFMKWHYMBJR-UHFFFAOYSA-N	315.377	1.152	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C1CC1	1591325997	FSSBDZZGNLRGBN-LBPRGKRZSA-N	300.322	1.007	50	20	DDGD	
Nc1ncnc2cc(C(=O)NNc3ncccc3C(=O)O)ccc12	1594665308	WNIHPCFRAHKUGX-UHFFFAOYSA-N	324.300	1.062	50	20	DDGD	
O=C(O)/C=C/c1cc(C(=O)NNC(=O)OCC(F)(F)F)co1	1594969494	ZJXCWXUSOKLIGZ-OWOJBTEDSA-N	322.195	1.311	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@]1(C(=O)O)CC1(C)C	1594417800	CJLBXQUWVLBEAK-HNNXBMFYSA-N	305.334	1.649	50	20	DDGD	
CC[C@H]1C[C@@H](NC(=O)NNc2ccc(CC(=O)O)cc2)CCO1	1595413212	JPORFYMPNYOHOZ-KBPBESRZSA-N	321.377	1.897	50	20	DDGD	
CCCc1[nH]ccc1C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1590654449	FVKJVRZBFNSINN-UHFFFAOYSA-N	312.337	1.299	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccc(C(=O)O)cc1[N+](=O)[O-]	1776116173	SRIGMULTSXAPEA-WDZFZDKYSA-N	320.257	1.390	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cccnc1N1CCCC1	15758775	ZGUOAXUFOSMSAH-UHFFFAOYSA-N	321.450	1.589	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@H]1CCO[C@H](C2CC2)C1	160534556	HVLHUKDOBHELRN-UWVGGRQHSA-N	311.773	1.714	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCOc3ccccc32)[nH]n1	151196461	NPRJNOICDNZNEU-NSHDSACASA-N	300.318	1.045	50	20	DDGD	
O=C(NNC(=O)c1ccncc1F)c1cc(Cl)ccc1O	155584117	YHBLGQMSULPPTF-UHFFFAOYSA-N	309.684	1.655	50	20	DDGD	
CC/C(=C/C(=O)NNC(=O)c1cnn(C)c1)c1ccc(C)cc1	156429342	HGHAAZGOKNMKMV-LCYFTJDESA-N	312.373	1.983	50	20	DDGD	
Cc1cc(CN2CCN(S(=O)(=O)CCCCl)CC2)on1	37842513	LNQMOYIBGJGJKN-UHFFFAOYSA-N	321.830	1.059	50	20	DDGD	
COCCOC1CN(S(=O)(=O)c2ccc(CCl)cc2)C1	708302356	RZVCPOVWTPRNNH-UHFFFAOYSA-N	319.810	1.461	50	20	DDGD	
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)OC(C)(C)C	495342843	PCGPYRXYQBQHML-SECBINFHSA-N	317.386	1.846	50	20	DDGD	
O=C(NN=C1CCN(C(=O)OCc2ccccc2)C1)C1CC1	842518961	BLZBRNFZAFHDSV-UHFFFAOYSA-N	301.346	1.911	50	20	DDGD	
CSC[C@H](C)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	112823815	RYFSUWDZZZBVPR-NSHDSACASA-N	318.402	1.632	50	20	DDGD	
Cc1ccc(CCC(=O)NNc2nnc(C)c(O)n2)cc1Cl	23311902	VNSDSDZQASDCIP-UHFFFAOYSA-N	321.768	1.923	50	20	DDGD	
CC1(C)CC(=O)C(=CNNC(=O)c2ccc(O)cc2)C(=O)C1	28975905	KITMBZQYACEDGN-UHFFFAOYSA-N	302.330	1.469	50	20	DDGD	
C[C@H](CC1CCCC1)C(=O)NNC(=O)CNC(=O)c1ccco1	114258490	FMHKQXGXXBGYIP-LLVKDONJSA-N	321.377	1.373	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)[C@H](CC)c2ccccc2)[nH]n1	110964492	RBDJQBKNYUKDOS-CYBMUJFWSA-N	300.362	1.927	50	20	DDGD	
C[C@@H](Oc1ccccc1Cl)C(=O)NNC(=O)c1cnn(C)c1	117681321	WGCCFCDDUSKRKR-SECBINFHSA-N	322.752	1.302	50	20	DDGD	
Cc1nc(CNC(=O)NNC(=O)Cc2ccccc2F)cs1	66924772	DNUBSJQGQUAJTJ-UHFFFAOYSA-N	322.365	1.664	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)c2cccn2C)cc1OC	60792842	YFYOZPQDWXCAGJ-UHFFFAOYSA-N	317.345	1.046	50	20	DDGD	
COc1ccccc1CCNC(=O)NNC(=O)c1ccc(C)o1	177255430	GLHGTBQAJLKULN-UHFFFAOYSA-N	317.345	1.783	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N(C)Cc1ccco1	67482843	UYWDLDCBOIUPRP-UHFFFAOYSA-N	303.318	1.775	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@H](c1ccc(OC)cc1)C1CC1	111196803	TUUUAFYOJIDDDD-ZBEGNZNMSA-N	319.405	1.682	50	20	DDGD	
C=CCCCC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O	175151640	LCVAOOKNRGLJOS-UHFFFAOYSA-N	314.345	1.695	50	20	DDGD	
CCNC(=O)NNC(=O)C1(c2cccc(F)c2)CCOCC1	65189248	DZQAIIZWFGYXRG-UHFFFAOYSA-N	309.341	1.224	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(CC2CC2)CC2CC2)cc1	115564560	GIUTXYLHXZKZLV-UHFFFAOYSA-N	315.417	1.878	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC[C@H]2CCCC[C@@H]2C)n1	127730326	CIROSYSODDWQLM-SMDDNHRTSA-N	321.425	1.657	50	20	DDGD	
CC(=O)NNC(=O)COc1ccccc1OCC(F)(F)F	69368026	JCXMBUUDQIAGKB-UHFFFAOYSA-N	306.240	1.174	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)NC)c1C	34701417	LWENUJWMALXXFL-ZSOIEALJSA-N	303.362	1.711	50	20	DDGD	
C[C@H]1CC(=O)CC[C@H]1C(=O)NNC(=O)CCc1ccccc1	129492751	BRAPUBMGCSVDRP-SWLSCSKDSA-N	302.374	1.772	50	20	DDGD	
CCc1cccc(NC(=O)C(=O)NNc2ccc(OC)cn2)c1	124284930	VKPAKMLBRFSZJR-UHFFFAOYSA-N	314.345	1.734	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cc(-c2ccc(F)cc2)[nH]n1	32261639	ILLZDHMCJWSUTM-ZDUSSCGKSA-N	318.308	1.156	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)c1cccc(N(C)C)c1)C1CC1	127165293	BPWOOIRZWZRMNW-CQSZACIVSA-N	320.393	1.122	50	20	DDGD	
O=C(NCc1ccn2ccnc2c1)NNc1nc2ccccn2n1	189592944	OLUVHQXHRFJUMF-UHFFFAOYSA-N	322.332	1.203	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)Nc2ccn(C)n2)c1	184700293	SEEJJTKWQCAHLG-UHFFFAOYSA-N	317.349	1.269	50	20	DDGD	
C=CCCOCCNC(=O)NNC(=O)c1ccc(CC)cc1	127164481	MBAPKAAHKFQQGR-UHFFFAOYSA-N	305.378	1.786	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H](C)c2cn(C)nc2C)n1	181178023	LWHCCEDLLCUIAQ-VIFPVBQESA-N	304.354	1.519	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)N(C)CCO2	186350788	MYCKEVLSKYGNFJ-JTQLQIEISA-N	306.366	1.714	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccc(Cn2cccn2)cc1	122417419	SYORRGHGWBKHKF-UHFFFAOYSA-N	312.308	1.617	50	20	DDGD	
O=C(NNc1ccccn1)N[C@H]1CCN(CC(F)(F)F)C1	131323604	RMORFLDZWOGYIC-VIFPVBQESA-N	303.288	1.344	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2ccc(F)c(F)c2)c1	190042599	UMKPPZODRJERSW-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@H](C)N2CCC[C@H](C)C2)o1	84158545	ZDKNJVQABTVSFF-NWDGAFQWSA-N	322.409	1.652	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(C)c(C)c2)o1	84461497	HUDOWOVEMSUYRU-UHFFFAOYSA-N	308.359	1.828	50	20	DDGD	
Cc1ccnc(NNC(=O)c2ccc(=O)n(-c3ccccc3)n2)c1	88423055	SAJCSZJTZNAPTB-UHFFFAOYSA-N	321.340	1.693	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1csc(-c2cccs2)n1	49165584	HNGFNIILLPDHMR-UHFFFAOYSA-N	310.404	1.764	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)Nc1cccc([N+](=O)[O-])c1	191416828	CCHDIUISNOYPQC-UHFFFAOYSA-N	313.277	1.786	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2coc(C3CCC3)n2)nc1	192828697	PODCVJLDTSBBCY-UHFFFAOYSA-N	316.317	1.881	50	20	DDGD	
CN(C)C(=O)Nc1cccc(C(=O)NNC(=O)C2CCC2)c1	265983251	LCULNPBQXFDXNT-UHFFFAOYSA-N	304.350	1.341	50	20	DDGD	
O=C(CNC(=O)C1CCCCC1)NNc1ccc(Cl)nn1	265382194	CWPFANJXAWGISS-UHFFFAOYSA-N	311.773	1.270	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)CC1CCOCC1	265346988	IWHWOJMHASLIRF-UHFFFAOYSA-N	323.418	1.830	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)CC(=O)NNC(=O)c1ccccn1	269961361	YPYXWAGQVCDZNR-VIFPVBQESA-N	302.334	1.641	50	20	DDGD	
CN1CCN(C)[C@H](CNC(=O)NNc2ccccc2Cl)C1	264821679	XYYYOPDVTLFLNP-LLVKDONJSA-N	311.817	1.212	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCS(=O)(=O)C(C)(C)C	276596425	AXFJAGNZFJGTLO-UHFFFAOYSA-N	314.411	1.229	50	20	DDGD	
COC(=O)[C@H](Cc1ccc(F)cc1)NNC(=O)CC(C)(C)C	275657289	DFFSGHBIDXLMNB-ZDUSSCGKSA-N	310.369	1.967	50	20	DDGD	
CSSCCNC(=O)N1C[C@@H](C)OC2(CCOCC2)C1	367410664	QWNKDNODNGBOKL-LLVKDONJSA-N	320.480	1.977	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCN(Cc1ccccc1)C(C)=O	271449203	UGPIQBSEILPDLT-UHFFFAOYSA-N	320.393	1.118	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C1(c2ccc(F)cc2)CCOCC1	272925409	FONYCWZHAYPTTL-UHFFFAOYSA-N	323.368	1.566	50	20	DDGD	
COc1cccc(NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)n1	272520451	LATXMLBDOWPGMR-VIFPVBQESA-N	310.354	1.447	50	20	DDGD	
CCSCc1cc(C(=O)NNC(=O)c2cccc(C)n2)no1	279765577	GJRIUXNPVFLHOJ-UHFFFAOYSA-N	320.374	1.706	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1ccc2c(c1)N=S=N2	271911742	DWJRZDBSKCXJAY-UHFFFAOYSA-N	307.335	1.100	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H]2C[C@@]23CCOC3)cc1	374656879	UJJXHBGBIRMBNZ-IUODEOHRSA-N	305.334	1.275	50	20	DDGD	
CN(NC(=O)CC[C@@H](O)c1ccc(C(C)(C)C)cc1)C(N)=O	281339390	UQYCWOMQTDWCMG-CYBMUJFWSA-N	307.394	1.839	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc(C2CC2)no1	287675811	BXSXEDGBBVMZFZ-UHFFFAOYSA-N	311.338	1.102	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ncccc1F)N1C[C@H](C)O[C@H](C)C1	285920135	IVDDPNKZPRTJOF-MBNYWOFBSA-N	324.400	1.798	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NNc1nccnc1C1CCC1	286965373	LNIUPILTULGPEV-UHFFFAOYSA-N	312.395	1.012	50	20	DDGD	
O=C(NNc1cccc(F)c1)[C@@H]1CC12CCS(=O)(=O)CC2	287805505	AQAASPSNCKKTKB-LBPRGKRZSA-N	312.366	1.484	50	20	DDGD	
C[S@@](=O)C1(CNC(=O)NNc2cc(F)c(F)c(F)c2)CC1	281623315	CIEJNSWNZQRCAA-OAQYLSRUSA-N	321.324	1.641	50	20	DDGD	
CC1(CCNC(=O)NNC(=O)COc2ccccc2O)CC1	280395062	NQXYODOYCNDWBU-UHFFFAOYSA-N	307.350	1.292	50	20	DDGD	
CO[C@@H]1CCC[C@H](CC(=O)NNC(=O)NCc2ccco2)C1	280547143	JULASXPDSWLWGT-NWDGAFQWSA-N	309.366	1.705	50	20	DDGD	
CCOc1cc(C(=O)NNC(=O)CNc2ccc(C)cc2)on1	295440726	PIWIEWNUYXCKFC-UHFFFAOYSA-N	318.333	1.255	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1cccc2c1COC2=O	808909484	DACSWNGZPRBZPL-UHFFFAOYSA-N	314.301	1.162	50	20	DDGD	
CCOc1ccccc1C(=O)NCC(=O)NNC(=O)C(C)(C)C	298822573	XZUZOIOSBOVEAC-UHFFFAOYSA-N	321.377	1.009	50	20	DDGD	
Cc1sc(Br)nc1C(=O)NNC(=O)CC1CC1	294054085	FXEXLAOVPXJNOY-UHFFFAOYSA-N	318.196	1.775	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc(OC)c1C	294215073	LYUSAZWCTYOWRB-CABZTGNLSA-N	322.361	1.341	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1nc2cccnc2s1	807060429	ATPFPXMFRQVEDQ-UHFFFAOYSA-N	316.302	1.751	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Nc2nc(C)n(C)n2)cc1	297391083	LTZFJNIUJISPNB-UHFFFAOYSA-N	302.338	1.152	50	20	DDGD	
COCCOCc1ccc(C(=O)NNC(=O)C2CCC2)cc1	291797348	YIMPRGBNCQDOIK-UHFFFAOYSA-N	306.362	1.411	50	20	DDGD	
Cc1ncc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)c(C)n1	803437507	RCHKJAAALBWINB-UHFFFAOYSA-N	309.329	1.692	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)[C@@H]1OC[C@@H]2COCC[C@@H]21	291431487	YNRWMNWJNIXIGL-UVPNAGLESA-N	316.279	1.599	50	20	DDGD	
O=C(NNc1cccnc1Cl)[C@H]1COCCN1CC(F)F	807033496	RQIYIOOBLQWAOT-SECBINFHSA-N	320.727	1.144	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(O)cc1	807083216	VQJYSCFAJXBSIA-UHFFFAOYSA-N	301.258	1.626	50	20	DDGD	
CCOCCCC(=O)NNC(=O)COc1ccccc1CC	298523438	ZYBBYAZPXCRLSS-UHFFFAOYSA-N	308.378	1.592	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H]1CCN(Cc2ccccc2)C1	298678652	XRKGUGPNODEXOW-HNNXBMFYSA-N	318.421	1.637	50	20	DDGD	
COCCN(C)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F	297193252	VKGDUYPSSVVKFX-UHFFFAOYSA-N	314.317	1.023	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1F)c1cc([N+](=O)[O-])n[nH]1	802826611	JBIZVNZMXHALEY-UHFFFAOYSA-N	301.184	1.492	50	20	DDGD	
Cc1ccnc2ccc(C(=O)NNC(=O)[C@@H]3CC[C@H](C)O3)cc12	294224051	MLCMBXWCSMTABB-NHYWBVRUSA-N	313.357	1.872	50	20	DDGD	
Cn1c(C(=O)NNc2cccc(F)n2)cc2ccccc2c1=O	804771870	RCGVRTIGKMZQAZ-UHFFFAOYSA-N	312.304	1.830	50	20	DDGD	
C[C@@H](O)c1ccc(CNC(=O)NNC(=O)[C@H]2CCCCO2)cc1	297819087	XJGAKPOOFADQNR-BXUZGUMPSA-N	321.377	1.139	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2cnc(C)s2)c1	299467452	ANSRASPSRUJFED-UHFFFAOYSA-N	319.386	1.908	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](c1ccccc1)n1cccn1	299485484	GXLGOFABNZDMMF-HNNXBMFYSA-N	300.362	1.666	50	20	DDGD	
COc1cccc2c(C(=O)NNc3ncc(F)cn3)n[nH]c12	809738686	FCJDBMKYIZBEFM-UHFFFAOYSA-N	302.269	1.258	50	20	DDGD	
COc1ccccc1CONC(=O)NNc1cccc(F)n1	805443775	BLGGFYJETTVBEW-UHFFFAOYSA-N	306.297	1.987	50	20	DDGD	
Cc1nnsc1C=NNC(=O)Nc1ccc(C(=O)O)cc1	814222542	QEAZTUIDSMBVPO-UHFFFAOYSA-N	305.319	1.700	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)c1ccc2c(c1)OCO2	815505979	GANGLRAJMRWQDS-MRVPVSSYSA-N	316.317	1.012	50	20	DDGD	
CCN(CC)CCC(=O)NN=C(C)c1ccc(OC)c(O)c1	811635385	WGXHZBCTOIIYAL-UHFFFAOYSA-N	307.394	1.973	50	20	DDGD	
O=C(NNc1ncncc1F)Nc1cnn(C[C@H]2CCCO2)c1	814649662	YRXKQDVOGZHJKO-SNVBAGLBSA-N	321.316	1.140	50	20	DDGD	
Cc1ccc(C2(C(=O)NNC(=O)c3ccnnc3)CCC2)cc1	819577672	LXQXQZPSPMXYTC-UHFFFAOYSA-N	310.357	1.668	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)C1(C(=O)NC2CC2)CCC1	817006668	SQFNGFWKYDZVLX-UHFFFAOYSA-N	308.769	1.627	50	20	DDGD	
CCc1nn(C)c(OC)c1C=NNC(=O)Cc1ccc(F)cc1	814757126	OISUWPQVJHUZRG-UHFFFAOYSA-N	318.352	1.823	50	20	DDGD	
Cn1nncc1NNC(=O)C(C)(C)Oc1ccc(Cl)cc1	816770237	OXEQYIOSLCXQOS-UHFFFAOYSA-N	309.757	1.769	50	20	DDGD	
COCC1(C(=O)NNc2c(F)cccc2F)CCOCC1	810421394	ZCRZTASSZYQDPN-UHFFFAOYSA-N	300.305	1.851	50	20	DDGD	
COc1cc(C(C)=NNC(=O)[C@H](C)CN2CCC(C)CC2)on1	814764689	VLGAPEHSWKMQOX-GFCCVEGCSA-N	322.409	1.891	50	20	DDGD	
Cc1cc(C(=O)NNc2ncncc2F)ccc1-n1cncn1	817082105	MWTZNGQAVDOKRO-UHFFFAOYSA-N	313.296	1.262	50	20	DDGD	
CC(C)(C)C(=O)NN=Cc1ccc(Cl)c(S(N)(=O)=O)c1	814805814	NZHBOKVTEOPLAN-UHFFFAOYSA-N	317.798	1.484	50	20	DDGD	
O=C(NNc1ncncc1F)N[C@@H]1C[C@@H]1c1cccc(F)c1	814290536	JLAIPLVNCLDNSY-ZYHUDNBSSA-N	305.288	1.937	50	20	DDGD	
COCCOc1cccc(C(=O)NNc2ncncc2F)c1	817067734	PMAGAFCYBPDSKA-UHFFFAOYSA-N	306.297	1.398	50	20	DDGD	
COc1cccc2[nH]cc(CC(=O)NNc3ncncc3F)c12	817081107	QSQLZMQNDXZQNM-UHFFFAOYSA-N	315.308	1.791	50	20	DDGD	
O=C(NNc1ncncc1F)[C@@H]1CCCN1c1ccccc1	817080024	DVFSTBLOSSZFMG-ZDUSSCGKSA-N	301.325	1.728	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)[C@H](F)C(F)(F)F	810353582	MYGBNABYVCXWQE-NSHDSACASA-N	317.242	1.689	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=O)c2cccc(C#N)c2)s1	728826527	MQHOJDVMNKPZOA-UHFFFAOYSA-N	314.370	1.960	50	20	DDGD	
O=C(NN=Cc1c[nH]c(C(=O)O)c1)c1ccc2c(c1)OCO2	814699536	HEIKITAGGDXRJQ-UHFFFAOYSA-N	301.258	1.206	50	20	DDGD	
CC[C@H](C)CONC(=O)NNC(=O)c1c(C)nc2ccccn12	813826959	SGINAOORDQLDGN-JTQLQIEISA-N	319.365	1.564	50	20	DDGD	
COc1cc(C(C)=NNC(=O)C(=O)Nc2ccc(C)cc2)on1	814768048	GDGXWHINGOHCLE-UHFFFAOYSA-N	316.317	1.471	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)ccc1C(=O)NNC(=O)CCC(C)C	826249679	OHRQKEHQHHOVOV-UHFFFAOYSA-N	316.365	1.372	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)C[C@@H]2CC[C@H]3C[C@H]23)c1	827883489	IOUMQCHMZIXWHC-MJVIPROJSA-N	308.403	1.969	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=S)NCc1cccs1	728798984	NPKLEFIYANDAPT-UHFFFAOYSA-N	306.416	1.381	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NC1(C(N)=O)CCCCC1	490975312	OWPRIZMKWGQZSV-JLHYYAGUSA-N	313.357	1.604	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1cc(C(=O)O)cs1	490879683	RXSIDPVLDBXTBW-UXBLZVDNSA-N	308.359	1.896	50	20	DDGD	
O=C(/C=C\C1CCOCC1)NNC(=O)COc1ccc(F)cc1	491880928	GKYAXMIKLOHFMD-BHQIHCQQSA-N	322.336	1.335	50	20	DDGD	
CNC(=O)OC[C@H]1CCCCN1C(=O)NCCSSC	496867713	XPUOKDJTNIFKTG-SNVBAGLBSA-N	321.468	1.918	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccccc1COC1CCOCC1	823946424	JOBXHFOPBMQDNV-ZDUSSCGKSA-N	322.405	1.340	50	20	DDGD	
CC(C)C[C@@H](NC(=O)O)C(=O)NNc1ncnc2ccsc12	824210778	JCBYUQTZKWCVRA-SECBINFHSA-N	323.378	1.817	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)C(C)(C)C)cccc1-c1nn[nH]n1	826241553	HKFXNTCCUSAAFU-UHFFFAOYSA-N	317.353	1.374	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCN2C(=O)CC[C@@H]2C1	490881009	WOQLRNINVHPSCG-BMQCOBNYSA-N	313.332	1.566	50	20	DDGD	
CCC[C@H](CC)C(=O)NNC(=O)CNC(=O)OC(C)(C)C	821756577	ONGSCFMBQDBKFY-JTQLQIEISA-N	301.387	1.485	50	20	DDGD	
O=C(/C=C/C(=O)Nc1ccc2n[nH]cc2c1)NNc1ccccn1	492850401	FVTCHKDAZMLSGR-VOTSOKGWSA-N	322.328	1.596	50	20	DDGD	
COC(=O)NNC(=O)Cc1cc(Br)ccc1C	496751340	YKSIMLBAWSQRJL-UHFFFAOYSA-N	301.140	1.687	50	20	DDGD	
Cc1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c(O)n1	826281716	GYBLORQOVYGIAE-UHFFFAOYSA-N	311.305	1.033	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1CC(c2ccc(C)cc2)=NO1	900382595	GPCAHAPCRKJJLS-AWEZNQCLSA-N	318.377	1.619	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)C[C@@H]1CC[C@H]2C[C@H]12	823179970	BQXHJTUANOJLIW-SRVKXCTJSA-N	304.346	1.355	50	20	DDGD	
CCOC(=O)NNC(=O)c1cnn(-c2nc(CC)cs2)c1	494079056	QZTYMSCAGCKMIR-UHFFFAOYSA-N	309.351	1.282	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CCCCN1C	731867167	XWPZREICDUGYPO-AAEUAGOBSA-N	323.368	1.225	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cnn(-c2ccc(Cl)cc2)c1	823970334	FGGKUGRFMBVPHY-SNVBAGLBSA-N	308.769	1.483	50	20	DDGD	
CC(C)(C)OC(=O)C1(C(=O)NNC(=O)C2CCCC2)CCC1	821751025	ZSUZSOLFQZLGPO-UHFFFAOYSA-N	310.394	1.836	50	20	DDGD	
Cc1nc(-c2c(C)noc2C)sc1C(=O)NN(C)C[C@@H](C)O	821217538	KMAHGEWIQMGCBY-SSDOTTSWSA-N	324.406	1.681	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNc2cccnn2)nc1C	736702351	PUOMWAXOSQFYEI-UHFFFAOYSA-N	301.306	1.114	50	20	DDGD	
CC(C)Oc1ncccc1CNC(=O)NNC(=O)C1CCC1	732240973	PZNZSSVYSRFBEA-UHFFFAOYSA-N	306.366	1.499	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)/C=C/c2cccnc2)cc1	493702681	CHVDAQBJRHBLIV-RUDMXATFSA-N	312.329	1.956	50	20	DDGD	
CCCCN1CCCC[C@@H]1CNC(=O)NNC(=O)C1CCC1	732248484	YMBAWHDKCMVDLH-CQSZACIVSA-N	310.442	1.772	50	20	DDGD	
CC(C)OC1CCN(C(=O)NNC(=O)Cc2cccnc2)CC1	730580777	DMONGOQLMOBFAI-UHFFFAOYSA-N	320.393	1.254	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(Cl)nn1)c1nnc2n1CCC2	730938004	VWOQAEVKXRLGKD-ZETCQYMHSA-N	322.760	1.055	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1cn(Cc2ccccc2)nn1	901257763	CIMFTJUNFQEYQK-DOMZBBRYSA-N	313.361	1.202	50	20	DDGD	
CCCN(NC(=O)[C@H](C)NC(=O)OC)C(=O)OC(C)(C)C	495762662	KXGNZVRDWOOUPO-VIFPVBQESA-N	303.359	1.409	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1cnn(CC2CCC2)c1	901179828	OCIRRKZPSLBTMI-UHFFFAOYSA-N	305.382	1.449	50	20	DDGD	
CCOCCNC(=S)NNC(=O)c1cccc2ncccc12	730153683	LAUNFGLDQUCNFH-UHFFFAOYSA-N	318.402	1.380	50	20	DDGD	
COCc1ccccc1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	831235744	MFJFNIXDTQNOMI-CMPLNLGQSA-N	307.350	1.411	50	20	DDGD	
OB(O)c1ccccc1CNc1ccc2c(c1)[C@H](O)CCCC2	585047511	QKWDQMCQQIIMAA-GOSISDBHSA-N	311.190	1.738	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)N2CCCC2)cc1-c1nn[nH]n1	737078067	YQFNKAQCWLVDNF-XYOKQWHBSA-N	324.344	1.405	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@H]2C[C@@]2(C)C(C)C)n1	838768522	VFHPOGDHRQHGGH-WFASDCNBSA-N	307.398	1.265	50	20	DDGD	
COc1ncc(C(=O)NNc2oc(C(C)C)nc2C#N)cn1	733953732	NHVNVRLDKZTRDF-UHFFFAOYSA-N	302.294	1.225	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](C)c2cnn(C(C)C)c2)nn1	732826995	BHYSMSQVMFOARN-NSHDSACASA-N	303.370	1.950	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCOc2ccccc2C1	731849120	RRPXJBWEJUQOPA-CYBMUJFWSA-N	319.405	1.463	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2c[nH]nc2-c2ccc(F)cc2)cn1	735411219	RIROCHMDNBFXHT-UHFFFAOYSA-N	312.308	1.713	50	20	DDGD	
C[C@]1(C(=O)N2CC[C@H](CS(C)(=O)=O)C2)C[C@@H]1Br	908354926	OWXNDTDSKOAAQV-QXEWZRGKSA-N	324.240	1.053	50	20	DDGD	
CCOc1ccc(NNC(=O)NCC(=O)N2CCCCC2)cc1	837537486	JEQFRCVMEPYKTB-UHFFFAOYSA-N	320.393	1.724	50	20	DDGD	
CCOc1ccc(NNC(=O)NC[C@@H]2COC(C)(C)O2)cc1	838541547	DFSVMPDJAGSWIK-CYBMUJFWSA-N	309.366	1.863	50	20	DDGD	
CCN(CC)C[C@H](NCc1ccc(B(O)O)o1)c1ccccc1	585016492	NVQOVRYJMNXTPV-INIZCTEOSA-N	316.210	1.132	50	20	DDGD	
CC1(C)CCC[C@H]2CN(C(=O)c3ccc(B(O)O)cc3)CC[C@@H]21	584995743	YKZVBRRKTAKRHF-HOCLYGCPSA-N	315.222	1.655	50	20	DDGD	
O=C(O)c1cnc(Cl)cc1C=NNC(=O)[C@@H]1CCCS1	905478562	HEAUKGJFLRSVAT-VIFPVBQESA-N	313.766	1.779	50	20	DDGD	
CN1C(=O)CCC[C@H]1C(=O)NNC(=O)Nc1ccc(Cl)cc1	908051195	JZHRBYLNBRFMFZ-NSHDSACASA-N	324.768	1.504	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cnc2ccccc2c1	838362753	XCGJCMDFXUHMSI-SNVBAGLBSA-N	315.329	1.338	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@@H]1CSC(c2ccccc2)=N1	900386498	YACPWBHNPYNJFJ-LBPRGKRZSA-N	318.402	1.289	50	20	DDGD	
CS[C@@H]1CC[C@H](NC(=O)NNC(=O)[C@@H]2CCCCO2)C1	836329836	SAWHVSSEMFOOKL-AXFHLTTASA-N	301.412	1.170	50	20	DDGD	
CCOC1CC(C(=O)NNc2ccc(C(=O)OC)c(F)c2)C1	837056779	AMBAZXNBXGFOLC-UHFFFAOYSA-N	310.325	1.871	50	20	DDGD	
CCN(CC(=O)NNC(=O)[C@H]1CCCCO1)c1ccccc1	833255078	BNTYXCLHDVXYBP-CQSZACIVSA-N	305.378	1.229	50	20	DDGD	
COC(=O)c1c(C)[nH]c(C(=O)NNc2cc(C)ncn2)c1C	734255278	QUTRZAWBXVWLBC-UHFFFAOYSA-N	303.322	1.273	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1cc([N+](=O)[O-])ccc1C	739412830	HSSGKBHCYRAGHJ-UHFFFAOYSA-N	304.306	1.022	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(C)ccc1C	730576307	OZCYKAYGBOOCCO-ZDUSSCGKSA-N	308.403	1.578	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCC2(C#N)CC2)c(F)c1	838576475	NCKMSRNGXJVKLZ-UHFFFAOYSA-N	306.297	1.542	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)c1	913821886	LPIVWBLTEFYHOB-ZEGGKSINSA-N	321.377	1.677	50	20	DDGD	
C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1CC(=O)NNC(=O)C1CC1	830439000	ADFZBWILCDAMRQ-WWGRRREGSA-N	315.417	1.810	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NN=Cc2ccnn2C)c1C	914559642	SJBNPUGUVUOJHH-ZDUSSCGKSA-N	300.362	1.955	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@H](CN)CC(C)C)cc1	841954302	QAHJAGJFIZAQPK-LBPRGKRZSA-N	323.397	1.404	50	20	DDGD	
C#CC[C@H](NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)C(=O)O	910054511	TVKCLHFTFCIRTA-AVWBDOJWSA-N	314.179	1.533	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(C)(C)c1ccc(F)cc1	843650084	ZNBCALRUFNZMAX-GXFFZTMASA-N	308.353	1.676	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccc(-c2nnc(C)o2)c1	746165707	SFOMDVQLXPWFQS-UHFFFAOYSA-N	317.349	1.789	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)CCCN)ccc1OC(C)C	841191556	ABVWEDXUYTVHLE-UHFFFAOYSA-N	324.381	1.374	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)COc2cccc(C)c2)o1	915940600	FZDCOKWGCRSJMU-UHFFFAOYSA-N	316.313	1.904	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cnc2ccsc2c1	741923588	WNTHQOUFUPALHG-UHFFFAOYSA-N	312.354	1.695	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@H]1CCc2ccccc2C1	846064409	IWBVDVYTFKGSIG-NSHDSACASA-N	315.295	1.684	50	20	DDGD	
CC(C)(C)OC(=O)c1ccc(C(=O)NN=c2cc[nH]cc2)cn1	845928168	UVDOGNNMLJJEBC-UHFFFAOYSA-N	314.345	1.611	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)CC(F)(F)F)CCc2ccccc21	844131349	OALNATLTPRJSIE-CYBMUJFWSA-N	300.280	1.990	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NNc2ncc(Br)cn2)O1	848321883	HNPGIIGWVHSPHH-ZXFLCMHBSA-N	315.171	1.496	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2cccc(Cl)c2)C(=O)OC1(C)C	748553984	XBIGPLOXWQUZSR-UHFFFAOYSA-N	322.748	1.753	50	20	DDGD	
COC(=O)[C@]1(C)CCCN(C(=O)[C@]2(C)C[C@@H]2Br)C1	910553447	CNIDRKDBYMCHDF-ZWKOPEQDSA-N	318.211	1.962	50	20	DDGD	
CCOc1cccc(CNC(=O)NNC(=O)CC(F)(F)F)c1	918064823	PPGJGTSWVRQFGJ-UHFFFAOYSA-N	319.283	1.868	50	20	DDGD	
Cc1ccccc1C(C)(C)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843648355	QBXLEWQGFFPSDZ-STQMWFEESA-N	304.390	1.845	50	20	DDGD	
C[C@@H]1O[C@H](C)C[C@H]1CNC(=O)NNc1ncc(F)cc1F	840430233	LWMGHADFJWVRLL-VGMNWLOBSA-N	300.309	1.799	50	20	DDGD	
CC(C)(CO)C(=O)NNC(=O)c1cc(-c2ccccc2)on1	847304955	BHDRKSOHIVKVRC-UHFFFAOYSA-N	303.318	1.121	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)CNC(=O)C1CC1	840548707	SYWABGNQPPKTPS-UHFFFAOYSA-N	311.773	1.223	50	20	DDGD	
NC1CCC(NC(=O)NNC(=O)c2ccc(Cl)cc2)CC1	841945819	YMAZQEXRVFYDAO-UHFFFAOYSA-N	310.785	1.554	50	20	DDGD	
O=C(NNc1ccccc1OC(F)(F)F)[C@@]1(O)CCOC1	840426013	HWKCZTPISHSEPF-LLVKDONJSA-N	306.240	1.180	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=S)NCCc1cccs1	747673539	XMXYANSQZFIIMQ-UHFFFAOYSA-N	320.443	1.424	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1c(Br)cnn1C	842558608	HAGAFTVMQIWAAL-SFYZADRCSA-N	315.171	1.058	50	20	DDGD	
CNCCNC(=O)NNc1ccc(Br)cc1Cl	841934916	NGZVZFSVXDVCFI-UHFFFAOYSA-N	321.606	1.948	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc2c(c1)CC(C)(C)O2	843520369	OWUWZYAPEVYGCJ-UHFFFAOYSA-N	313.357	1.813	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(Cl)ccc1F	843645421	RAUNVVVUNYMGHN-CBAPKCEASA-N	300.717	1.665	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCOCN2)c1C	928953976	TZNMMJFYAPXRRT-DHDCSXOGSA-N	302.378	1.743	50	20	DDGD	
COC(=O)c1ccccc1CCC(=O)NNC(=O)NCC1CC1	758719310	XVCLOAMHNXIQTA-UHFFFAOYSA-N	319.361	1.146	50	20	DDGD	
CCN1CCC[C@H](NC(=O)[C@@]2(C)C[C@H]2Br)C1=O	928864609	FSRGZETYCYCKGA-SBMIAAHKSA-N	303.200	1.287	50	20	DDGD	
CCN1CCO[C@@H](C(=O)NNc2cc(F)cc(Cl)c2)C1	855618737	PKPQESUUMCIKDZ-GFCCVEGCSA-N	301.749	1.643	50	20	DDGD	
O=C(NN=Cc1ccc(O[C@H]2CCOC2)cc1)[C@@H]1CCCCO1	853352994	NGDDQQBUEALYBW-HOTGVXAUSA-N	318.373	1.874	50	20	DDGD	
Cc1cccc(OCC(=O)NN=C2CN(C3CC3)C[C@@H]2C)c1	755878724	DYAIZKUCLVFTJH-ZDUSSCGKSA-N	301.390	1.960	50	20	DDGD	
Cc1ccccc1[C@@H](CO)NC(=O)NNC(=O)C1CCCC1	753337955	AGVJWSPCJRMFAC-CQSZACIVSA-N	305.378	1.549	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(Cl)c2c(c1)OCO2	854928019	MPILAUPZGSCAJX-UHFFFAOYSA-N	301.755	1.150	50	20	DDGD	
C=C(Cl)CNC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	852123585	QHGLHDQWHBLMRX-UHFFFAOYSA-N	318.805	1.012	50	20	DDGD	
CC(C)(C)C(=O)NCCNC(=O)NNc1ccc(Cl)cn1	852062690	KKVIPWFXPXIKGW-UHFFFAOYSA-N	313.789	1.523	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1cc([N+](=O)[O-])ccc1O	758111608	XZRHPJIVIRTEPG-UHFFFAOYSA-N	303.278	1.188	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@H](c1cncn1C)N(C)C	855370056	LVOYLFVDCPCCQD-AWEZNQCLSA-N	305.357	1.614	50	20	DDGD	
CCCNC(=O)NNC(=O)CCc1c(C)nc2ccnn2c1C	921038358	WGQMWWWPESKXQV-UHFFFAOYSA-N	318.381	1.019	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=Cc2nnn(C(C)(C)C)n2)c1	853269328	OXJUOJCBDORGAG-UHFFFAOYSA-N	315.381	1.258	50	20	DDGD	
O=C(NNC(=O)c1ccccc1-n1cccc1)c1ccnnc1	756743694	BTEHJWOOBCFVBE-UHFFFAOYSA-N	307.313	1.342	50	20	DDGD	
CC(C[C@H]1CCCC(=O)N1)=NNC(=O)c1cccc(Cl)n1	853410799	ZENGODLSEMXKTH-SNVBAGLBSA-N	308.769	1.900	50	20	DDGD	
CC(=NNC(=O)c1ccc(C)o1)c1cccc(-n2cnnn2)c1	752173713	GMWYHYXQDFYHPV-UHFFFAOYSA-N	310.317	1.718	50	20	DDGD	
Cn1cnc2cc(S(=O)(=O)N3CC=C(C#N)CC3)ccc21	759080970	DFUKFOCEVWJMHH-UHFFFAOYSA-N	302.359	1.418	50	20	DDGD	
CNS(=O)(=O)CCN1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	856759506	PXUUXEHRXCQQSH-GFCCVEGCSA-N	322.547	1.632	50	20	DDGD	
CCC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1nccn1C	755461625	JBRLNGKQMYQREF-UHFFFAOYSA-N	301.306	1.872	50	20	DDGD	
CO[C@H](C=NNC(=O)c1nn(C)c(=O)c2ccccc12)C1CC1	853272965	WGQZOPKORGGAKP-CYBMUJFWSA-N	314.345	1.074	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NC[C@@]2(C)C[C@H]2Br)C1	857093000	PAOHATKJMWIXII-GIPNMCIBSA-N	317.227	1.535	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2ccc(O[C@H]3CCOC3)cc2)n[nH]1	853321215	LPCBLIKQIFUPKU-AWEZNQCLSA-N	314.345	1.650	50	20	DDGD	
O=C(Cc1cc(Cl)cc2c1OCC2)NNC(=O)c1ccc[nH]1	754357432	HEWAOMHACUTVDH-UHFFFAOYSA-N	319.748	1.607	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cccc2c1OC(F)(F)O2	854929012	WAWAOZAJTDRXIU-UHFFFAOYSA-N	303.290	1.089	50	20	DDGD	
CC(C)(C)OC(=O)[C@@]1(C(=O)NNc2ncncc2F)CC1(C)C	854609903	VONNPIRXJSBMAE-HNNXBMFYSA-N	324.356	1.817	50	20	DDGD	
C[C@]1(CN2C(=O)CN(C3CCC3)C2=O)C[C@H]1Br	857228014	XMPDYFAYLNGXEZ-BXKDBHETSA-N	301.184	1.977	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)N[C@H]1CCN(C2CC2)C1	853743451	PQKLPINIKMCUGU-VIFPVBQESA-N	323.328	1.597	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)COCC(F)(F)F)c1C	855624543	BHUSPVREDYVHSO-UHFFFAOYSA-N	320.267	1.804	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccc(F)c(F)c1)S(C)(=O)=O	921640768	QCFKZLQGFUQVFN-ZETCQYMHSA-N	307.322	1.024	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(CCN2CCOCC2)cc1	756163590	GEGQCORMVCWNDM-UHFFFAOYSA-N	320.393	1.124	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NN=Cc1ccc[nH]1	853375606	VZSGUJZEISWUOA-TZMCWYRMSA-N	301.350	1.366	50	20	DDGD	
O=C(NNC(=O)c1ccc(F)cc1O)c1ccc2c(c1)OCO2	750529997	ACJPKMWWWWWLMU-UHFFFAOYSA-N	318.260	1.335	50	20	DDGD	
C/C=C(/C)C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1	750895783	IXJBWGKHJSACMQ-OQFOIZHKSA-N	310.737	1.610	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cnn(Cc2ccccc2)c1C	854925731	LJRPGEVGZXPKAO-UHFFFAOYSA-N	317.418	1.321	50	20	DDGD	
Cc1ccc(CC(=O)OCC(=O)NNC(=O)c2ccccc2)o1	754330206	NZMGTEAFVZFSGN-UHFFFAOYSA-N	316.313	1.135	50	20	DDGD	
COC(=O)c1coc(C=NNC(=O)[C@H](C)CN2CCCCC2)c1	758097924	YNZGTZSSGVPLPO-GFCCVEGCSA-N	321.377	1.638	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCC[C@H](C)NC(=O)OC(C)(C)C	857741012	QIFMWOXQRSAXHE-OCUQMRJBSA-N	311.382	1.850	50	20	DDGD	
Cc1nnc([C@H](C)NC(=O)NNC(=O)c2ccccc2)s1	759217253	SAWKICPCLBVIPZ-QMMMGPOBSA-N	305.363	1.552	50	20	DDGD	
Cc1noc(C2CC2)c1C(=O)NNC(=O)NCc1ccco1	751536375	VEVKAJMWEVRPTA-UHFFFAOYSA-N	304.306	1.598	50	20	DDGD	
CC[C@@]1(C(=O)NNc2cc(C(F)(F)F)ccn2)CCNC1=O	868606847	FKBDTDUQGXJHHI-GFCCVEGCSA-N	316.283	1.460	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=Cc1ccc(SC(F)F)cc1	863187117	YEPIOEMNJCWSDB-UHFFFAOYSA-N	322.358	1.496	50	20	DDGD	
COc1coc(C(=O)NNCC(F)(F)C(F)(F)F)cc1=O	863099177	XOZFNGUHFJCFNK-UHFFFAOYSA-N	316.182	1.080	50	20	DDGD	
CCn1cc(CC(=O)NNCC(F)(F)C(F)(F)F)cn1	863101362	QFJMSSGWEUZFMW-UHFFFAOYSA-N	300.231	1.264	50	20	DDGD	
O=C(C[C@@H]1CC(=O)NC1=O)NNc1cccc(C(F)(F)F)c1	935016914	KKQFDBQLOLYFBM-ZETCQYMHSA-N	315.251	1.201	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)n1	863896823	IPYDGGDDIWXJNK-UHXUPSOCSA-N	321.425	1.825	50	20	DDGD	
CC(C)(C)c1ncc(/C=C/C(=O)NNC(=O)c2cn[nH]c2)s1	862472000	DYVYZVXWJYPGGK-SNAWJCMRSA-N	319.390	1.638	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C1Cc2ccccc2C1	761833742	HOEHIDXSJBQSJT-UHFFFAOYSA-N	310.353	1.871	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NN[C@@H](C)C(F)(F)F	862313339	FRQPCNUGFMONII-XCBNKYQSSA-N	306.332	1.787	50	20	DDGD	
O=C(NNc1ccc(Br)nc1)[C@H]1C[C@@]12CCOC2	764463404	VVTYVQKSTDGBHQ-BXKDBHETSA-N	312.167	1.714	50	20	DDGD	
CCNc1ncc(C(=O)NNC(=S)NCC2CCC2)s1	862151791	ZOEZMPIWUIJXBU-UHFFFAOYSA-N	313.452	1.484	50	20	DDGD	
CC(C)N1CCC[C@@H]1C(=O)NNc1nc(-c2ccncc2)no1	931501143	VDYNVDVVBYLWBF-GFCCVEGCSA-N	316.365	1.448	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCc2ccco2)c(O)c1	769732585	KEDJGYLSMIZIMN-UHFFFAOYSA-N	305.290	1.138	50	20	DDGD	
COCCOc1cccc(NC(=O)NN=c2cc[nH]c(C)c2)c1	860477434	PTDDWGTXEGLJTK-UHFFFAOYSA-N	316.361	1.986	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C(C)c1ccnn1C	765994816	YZMQZTYORMURFX-UHFFFAOYSA-N	316.361	1.738	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1ccc(F)c(F)c1N(C)C	863123754	KQIZBOOZNLVOMV-ONGXEEELSA-N	311.332	1.906	50	20	DDGD	
NC(=O)N1CCC[C@@H](C(=O)NNc2ccc(F)c(Cl)c2)C1	863078539	GOXPHVNQCAOXGF-MRVPVSSYSA-N	314.748	1.713	50	20	DDGD	
C[C@](NC(=O)NNC(=O)c1ccccn1)(C1CC1)C(F)(F)F	933581279	YXCKZXPUZGUTQV-LBPRGKRZSA-N	316.283	1.757	50	20	DDGD	
C[C@@H](NNC(=O)c1cnn(-c2ccc(F)cc2)n1)C(F)(F)F	862314310	ZKQPIYYEMJPNRT-SSDOTTSWSA-N	317.246	1.592	50	20	DDGD	
NC(=O)NN=C1C(=O)Nc2c(Cl)cc(Br)cc21	864323038	HQVJVPAZRUACBN-UHFFFAOYSA-N	317.530	1.427	50	20	DDGD	
COCCOCC(=O)NNC(=O)/C(C)=C\c1ccc(C)cc1	869907559	OCVPSKCKTFEBKL-RAXLEYEMSA-N	306.362	1.209	50	20	DDGD	
Cc1cc(C(=O)N2CC[C@H](B(O)O)C2)c(C)n1CC(F)(F)F	864234509	RVJZVRGIOADAAP-JTQLQIEISA-N	318.104	1.356	50	20	DDGD	
CC(=O)c1ccc(NC(=S)NNC(=O)c2cc(C)[nH]n2)cc1	764498624	XFEJRNOKOHVKJM-UHFFFAOYSA-N	317.374	1.552	50	20	DDGD	
COCCOc1ccccc1C=NNC(=O)c1cc(C)[nH]n1	764792981	IADDPXXAXYJFJV-UHFFFAOYSA-N	302.334	1.507	50	20	DDGD	
CCN(CCC1CC1)CC(=O)NNC(=O)c1ccc(C)cc1	760881685	QYIRTUSOJBTFRV-UHFFFAOYSA-N	303.406	1.878	50	20	DDGD	
CCc1cccnc1C(=O)NNC(=O)NCCc1cccs1	766554960	CGFSQVHRIIIGNC-UHFFFAOYSA-N	318.402	1.892	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cnccc1-c1ccccc1	760279838	QQVZFIQOYXVARB-UHFFFAOYSA-N	312.329	1.245	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H](NC=O)C(C)C)c1	873777171	XUUWGDSBQLNMOK-LBPRGKRZSA-N	308.407	1.083	50	20	DDGD	
CS(=O)(=O)Cc1ccc(NC(=O)NNc2ncccn2)cc1	775582723	YHTNGYBLWATUDL-UHFFFAOYSA-N	321.362	1.170	50	20	DDGD	
N#CC1=CCN(CC(=O)NC[C@@H]2COc3ccccc3O2)CC1	779586454	WBUJXDGBEZCYBY-CQSZACIVSA-N	313.357	1.098	50	20	DDGD	
COC[C@H](C)C(C)=NNC(=O)COc1ccccc1[N+](=O)[O-]	777877832	AWTLDVYMGWTOKF-JTQLQIEISA-N	309.322	1.748	50	20	DDGD	
CNC(=O)OC[C@@H]1CCCCN1S(=O)(=O)CCCCl	882198623	ZJBNFIDSMJZUHJ-JTQLQIEISA-N	312.819	1.156	50	20	DDGD	
COC(=O)N(C)NC(=O)NCC(C)(C)N1C[C@H](C)C[C@@H](C)C1	875140801	VIPOCESBHKKXOV-VXGBXAGGSA-N	314.430	1.655	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(O)c(C)c2)nc1	779541178	GIXJCBDCEQHCNU-UHFFFAOYSA-N	301.302	1.639	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1CCO[C@H](C)C1	776305333	GLCAPMXQHCOVJF-DGCLKSJQSA-N	306.362	1.200	50	20	DDGD	
CCCC(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	773411885	BIOUNDMWDGDBKH-LLVKDONJSA-N	313.398	1.581	50	20	DDGD	
COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)N1CC=C(C#N)CC1	772942228	BXXJONMSLFCYMT-STQMWFEESA-N	312.391	1.204	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CCc1ccccn1	772063808	JYKDXTMXWQRFMR-LBPRGKRZSA-N	321.377	1.139	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)CCCC(F)(F)F)n1	770591307	XNCFWGRQWFBWMN-UHFFFAOYSA-N	306.288	1.380	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCCS1	772165596	NSNQRYHVIBOFAQ-UWVGGRQHSA-N	302.396	1.007	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccn(C(CC)CC)n1	772202991	NQOAQLMSLOGNNO-SNVBAGLBSA-N	324.381	1.347	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cn(C)c2ccc(F)cc12	887147868	FNDIBIMDIMXVIL-UHFFFAOYSA-N	301.321	1.882	50	20	DDGD	
Cn1c(C(=O)NNc2cnc3ccccc3n2)ccc1[N+](=O)[O-]	774775845	WXXAOCJXGYDUMQ-UHFFFAOYSA-N	312.289	1.633	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H](CC)CO)cc1	779579864	VBDBSBQLXRQTMF-RYUDHWBXSA-N	324.377	1.019	50	20	DDGD	
COc1ccccc1NC(=O)C(=O)NNc1nc(C)cc(C)n1	773478194	KUOHEDZCZVSQOX-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
COC[C@@](C)(O)C(=O)NNc1ccc(Br)c(F)c1	771691119	PMESCLQCINKAJA-LLVKDONJSA-N	321.146	1.429	50	20	DDGD	
Cc1ccc(-c2cn(CC(=O)NNC(=O)C(C)(C)C)nn2)cc1	881305629	AJXVJILIRAKBQM-UHFFFAOYSA-N	315.377	1.447	50	20	DDGD	
C=C(CBr)n1cc(CN2CCC(OC)CC2)nn1	881316115	MQULFOFSDACKGW-UHFFFAOYSA-N	315.215	1.755	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1csc(C)c1	880640805	WFQHEGLOXFURFX-SECBINFHSA-N	301.368	1.261	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)[C@@H](C)C2)cc1O	882049948	JZDCKHRWPWFEEJ-QWRGUYRKSA-N	304.346	1.467	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C(C)c1nccnc1C	783512020	QXLJIHLTCQSCEF-UHFFFAOYSA-N	314.345	1.713	50	20	DDGD	
CN(CCCF)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	884145205	FEJLEYIUELKCJS-UHFFFAOYSA-N	319.340	1.518	50	20	DDGD	
OC[C@H]1CCCN1Cc1cn(/C=C/CBr)nn1	881294696	AISZTDLHJDWZAG-SZHMKSFOSA-N	301.188	1.100	50	20	DDGD	
O=C1O[C@H](C(=O)NNc2ncncc2Cl)Cc2ccccc21	781829094	HPVWWNWACINKBN-NSHDSACASA-N	318.720	1.355	50	20	DDGD	
C[C@H]1CC[C@H](NC(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)C1	780787461	MTQSHXHKYLEFSC-IUCAKERBSA-N	322.321	1.433	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)NNC(=O)c2ccc3c(c2)OCCO3)C1	780800449	RJDJUUKDAVSVCD-PWSUYJOCSA-N	319.361	1.590	50	20	DDGD	
C[C@H](NCC(=O)NNC(=O)c1ccc(C#N)cc1)c1ccccn1	782987854	SALXBOPIFUUKHX-LBPRGKRZSA-N	323.356	1.065	50	20	DDGD	
O=S(=O)(CBr)NC[C@H]1COc2ccccc2C1	782405839	SKPGGOJYNCIXNW-VIFPVBQESA-N	320.208	1.510	50	20	DDGD	
O=C(NNc1cccnn1)c1csc(N2CCCCC2)n1	896454759	AYDMSBLMMHIHQN-UHFFFAOYSA-N	304.379	1.680	50	20	DDGD	
C[C@H]1[C@H](C)CCC[C@H]1CNC(=O)NNC(=O)c1cnn(C)c1	796635229	FHHGUIOYQQBCIK-WOPDTQHZSA-N	307.398	1.436	50	20	DDGD	
CN1CCC[C@@H]1c1cc(C(=O)NNC(=O)OC(C)(C)C)n[nH]1	895510315	NDNQJMOGOYYPMC-LLVKDONJSA-N	309.370	1.346	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)c2cc3ccccc3o2)cn1	796981448	DQXSFTSFHHOPEV-UHFFFAOYSA-N	310.313	1.944	50	20	DDGD	
COc1cccc(C=NNC(=O)c2sc(N)nc2C)c1F	799874426	KUCJQFNEZYZRMI-UHFFFAOYSA-N	308.338	1.945	50	20	DDGD	
Cc1cccnc1NNC(=O)c1c[nH]c(C(=O)N2CCCC2)c1	791216209	KRXDIFPXJNLVKA-UHFFFAOYSA-N	313.361	1.711	50	20	DDGD	
Cn1cnn(CC(=O)NNc2cc(Cl)cc(Cl)c2)c1=O	791731950	GLJOHLPKFGVVND-UHFFFAOYSA-N	316.148	1.032	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=C1CSCCc2ccccc21	794457291	NJNLIDQFTIWWSU-UHFFFAOYSA-O	312.418	1.784	50	20	DDGD	
COC(=O)C(=O)NN=CC(C)(C)[C@H](C[N+](=O)[O-])c1ccccc1	1319301039	SJUQNBYJKRYETF-GFCCVEGCSA-N	321.333	1.348	50	20	DDGD	
Cc1ccc([C@@H](C)[C@H](O)C(=O)NNC(=S)NC(C)C)cc1	1319716904	KCXRDQVCKYRUAX-YPMHNXCESA-N	309.435	1.363	50	20	DDGD	
Cc1ccc([C@@H](C)[C@@H](O)C(=O)NNC(=S)NC(C)C)cc1	1319716902	KCXRDQVCKYRUAX-DGCLKSJQSA-N	309.435	1.363	50	20	DDGD	
COc1cc(OC)cc(N2CCCN(C(=O)CCl)CC2)c1	1319785684	IQULKUCIFFETSA-UHFFFAOYSA-N	312.797	1.981	50	20	DDGD	
Cc1cc(C)n2ncc(C(=O)NNc3nc4ccccc4[nH]3)c2n1	1319798248	DBELCWWTJJQQCT-UHFFFAOYSA-N	321.344	1.979	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2cc3ccccc3o2)nn1C	1325132841	IDMYGPVZAPLHMM-UHFFFAOYSA-N	312.329	1.804	50	20	DDGD	
COC1(C(=O)NNC(=O)c2cncn2-c2ccccc2)CCC1	1320827001	DEOMUIMMPMASCG-UHFFFAOYSA-N	314.345	1.202	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C1(c2cccnc2)CCCC1	1326049224	XXLOSMHVQVCANE-UHFFFAOYSA-N	306.435	1.797	50	20	DDGD	
Nc1cnnc(NNC(=O)/C=C/c2ccc(O)cc2)c1Cl	1320231993	GUQVLASZNRAESX-ZZXKWVIFSA-N	305.725	1.574	50	20	DDGD	
COCCN(CCI)CC(F)(F)F	190886662	WLKKIZAXCMCVBP-UHFFFAOYSA-N	311.085	1.932	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1coc(C2CC2)n1	1320462580	YUJVRBRVUYWZDT-UHFFFAOYSA-N	315.333	1.229	50	20	DDGD	
Cc1ccc(NC(=O)N(C)C)c(C(=O)NNC(=O)CC2CC2)c1	1325073840	QVPSAQYQDAZABW-UHFFFAOYSA-N	318.377	1.650	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)Cc2cccnc2)c(C2CC2)n1	1339812399	VTNLORMEEMDMRA-UHFFFAOYSA-N	311.345	1.061	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1cc(N2CCOC2=O)ccc1F	1254910097	DRVBPKXDKLLGOG-UHFFFAOYSA-N	322.296	1.345	50	20	DDGD	
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NNC(=O)c1cccc(F)n1	1330987561	HPEUGWLCXBPDQB-MRVPVSSYSA-N	319.340	1.200	50	20	DDGD	
O=C(CO[C@H]1CCOC1)NNc1cc(Cl)nc(Cl)c1	1332004085	IXVIVCQQCLCMPM-QMMMGPOBSA-N	306.149	1.637	50	20	DDGD	
C[C@@H]1CN(C2CC2)CC1=NNC(=O)c1n[nH]c2c1CCCC2	1332054096	XCUDDXAPXCPRLN-SNVBAGLBSA-N	301.394	1.488	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)NCC2=CCCC2)C[C@@H]1Br	1331084654	JZQFYFCWFFYVJL-GWCFXTLKSA-N	315.211	1.503	50	20	DDGD	
O=S(=O)(CCCCCl)NCc1cnn2ccccc12	796098436	ZWLGAKVQNVKDMW-UHFFFAOYSA-N	301.799	1.773	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1F)c1cccc(Br)c1	1347471517	MAGKQIYJRJMCOF-BDAKNGLRSA-N	301.115	1.568	50	20	DDGD	
CCN(CC)CC[C@@H](C)NC(=O)NNc1ncncc1Cl	1263304884	MIQGPOJZPAXPGY-SNVBAGLBSA-N	314.821	1.877	50	20	DDGD	
COC[C@@H](C)NC(=S)NNC(=O)c1cc(Cl)ccc1O	18146389	IWSHLXHDQGAMDK-SSDOTTSWSA-N	317.798	1.189	50	20	DDGD	
Cc1ccc(NNC(=O)Nc2nn(C)cc2C(=O)O)cc1F	1600461154	FXWNLUGYGGVMSS-UHFFFAOYSA-N	307.285	1.714	50	20	DDGD	
CCC(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1C(F)(F)F	1609181836	WQHNRZKASROUHX-UHFFFAOYSA-N	312.255	1.746	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cnn3c2OCCC3)cc1F	1602384432	MONLTIBSDROEEH-UHFFFAOYSA-N	320.280	1.260	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2CCc3c[nH]nc3C2)c(F)c1	1608904126	IXEKQHUQGHKFSV-QMMMGPOBSA-N	318.308	1.495	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])Nc1cccc(C(=O)O)n1	1601561536	NFVUUQCIOZORRO-UHFFFAOYSA-N	317.261	1.837	50	20	DDGD	
NCC1(CCNC(=O)NNc2ccc(C(=O)O)c(F)c2)CC1	1608253658	ZYQSUZJTWRLBSC-UHFFFAOYSA-N	310.329	1.279	50	20	DDGD	
CCO[C@H](CC)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1604401610	FVYKUNPGXFPSBA-MRVPVSSYSA-N	323.357	1.236	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNc1cccc(C(=O)O)c1	1609883138	NVMXHORJKJAZTM-CYBMUJFWSA-N	319.361	1.619	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2nc(-c3nn[nH]n3)cs2)c(C)o1	1609395449	HRAIZTFCYPMTOQ-UHFFFAOYSA-N	317.334	1.297	50	20	DDGD	
Cc1sc(=O)n(CC(=O)NNc2ccccc2C(=O)O)c1C	1600866981	VWFXLGFFIJBEFG-UHFFFAOYSA-N	321.358	1.368	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2cc(C(=O)O)n(C)c2)cc1	1607808983	MJOIFAWZTIHGPV-UHFFFAOYSA-N	314.345	1.594	50	20	DDGD	
CN(NC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccccc1	1609281479	IBTCWPRWQIAGSS-UHFFFAOYSA-N	323.360	1.717	50	20	DDGD	
Cc1cc(CN)cc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	1579594386	ZVEJBHIWCFBTPV-GXFFZTMASA-N	306.366	1.031	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NC[C@H]2CCCNCC2)nn1	1575274813	GAXDCQJYEDRYNA-LBPRGKRZSA-N	320.441	1.790	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@]1(C)CCNC1	1574048160	GIUOHAVQTQWQQG-CQSZACIVSA-N	308.407	1.012	50	20	DDGD	
CN(CC(C)(C)N)S(=O)(=O)c1ccc(CCCl)cc1	1578441039	LYHQGUJKURICON-UHFFFAOYSA-N	304.843	1.826	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN1)C(c1ccccc1)c1ccccc1	1580733170	OFDNYSLNRGBZAF-OAHLLOKOSA-N	309.369	1.328	50	20	DDGD	
C#C[C@H](NC(=O)NNc1cccc(C(=O)O)c1C)[C@H]1CCCO1	1588374118	OVRUECRIEHYNTL-GXTWGEPZSA-N	317.345	1.500	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)Cc2ccccc2)C1	1842695970	MJPPJIXDWKSCME-AWEZNQCLSA-N	324.783	1.967	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)c1coc(-c2nn[nH]n2)c1	1593161460	WMSVOAHQHPQCIN-UHFFFAOYSA-N	305.685	1.265	50	20	DDGD	
CCc1c(C(=O)NNc2cccc(-c3nn[nH]n3)c2)ccn1C	1590874446	OZPCEKRYPGHYFU-UHFFFAOYSA-N	311.349	1.525	50	20	DDGD	
CC[C@@H](C(=O)O)C(=O)NNc1ccc(C(=O)OC)cc1OC	1594755385	ILECQWABFZKWNC-SECBINFHSA-N	310.306	1.036	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1cccc(CO)c1	1599376485	NCZKJMOHSBVPGV-UHFFFAOYSA-N	316.313	1.643	50	20	DDGD	
O=C(O)[C@]1(C(=O)NN=c2cc[nH]c3cccnc23)CC=CCC1	1594866820	DMDWZTUIBQUPTF-MRXNPFEDSA-N	312.329	1.306	50	20	DDGD	
CNc1ccc(C(=O)NNc2ccc(C(=O)O)cc2F)cn1	1598677941	DJIBJQCHBFCTRV-UHFFFAOYSA-N	304.281	1.718	50	20	DDGD	
CN(C)c1ccc(C(=O)O)cc1C=NNC(=O)c1nccs1	1776109486	LWQRIMRRSCAACA-UHFFFAOYSA-N	318.358	1.671	50	20	DDGD	
CC(C)(C)C(=O)NN=Cc1cn(C2CCOCC2)nc1C(=O)O	1776035490	COQZGJMBGPAVJU-UHFFFAOYSA-N	322.365	1.429	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccoc2)cc1	16157320	PYISIWSCRVPPFR-UHFFFAOYSA-N	302.286	1.206	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)CC1CCCC1	15884537	JSFLZPSDRWAFRT-UHFFFAOYSA-N	306.362	1.802	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cc(Cl)ccn2)n1	158978674	FVWXNUCZGSNZFF-UHFFFAOYSA-N	307.741	1.010	50	20	DDGD	
CC(=O)c1cc(C(=O)NNc2cccc([N+](=O)[O-])c2)n(C)c1	151687297	AZQQXQZKQPAGPD-UHFFFAOYSA-N	302.290	1.893	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@H]2CCCCO2)c2ccccc21	153070493	DGVMTFGBJLSFJR-CQSZACIVSA-N	301.346	1.508	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[nH]n1	153268871	YJTZDEJUTUGFSM-UHFFFAOYSA-N	323.696	1.355	50	20	DDGD	
CCCNC(=O)NNC(=O)CCN1C(=O)CCc2ccccc21	157285239	UWGSEQPFNAVUJZ-UHFFFAOYSA-N	318.377	1.096	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)C(C)(C)NC(=O)C(F)(F)F	816629280	FXLMQEVLJRAQEG-UHFFFAOYSA-N	309.115	1.706	50	20	DDGD	
CC(C)c1ccc(S(=O)(=O)NNC(=O)c2ccc[nH]2)cc1	7727303	ADOMFKBWLYRNKT-UHFFFAOYSA-N	307.375	1.761	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1	103199351	FFUZNNULQQQPMX-NSHDSACASA-N	321.377	1.212	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)CC[C@H]1CCCO1	106287385	SOZBHMWDQYLKQZ-CYBMUJFWSA-N	306.362	1.431	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C	109698506	NULJNZXYVADMDR-AVGNSLFASA-N	319.405	1.718	50	20	DDGD	
Cc1nc(-c2c[nH]c(C(=O)NNc3cnccn3)c2)cs1	114878774	AXEABXDEFQYPFH-UHFFFAOYSA-N	300.347	1.994	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNC(=O)c1ccc(Cl)nc1	104273719	MVKJNLBBYIKVJP-NSHDSACASA-N	310.785	1.370	50	20	DDGD	
C[C@@H](Cc1cccc(F)c1)C(=O)NNc1ncnc2nc[nH]c12	173967998	KZWZMBBLKFWGPF-VIFPVBQESA-N	314.324	1.814	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCCCNC(C)=O)c1ccccc1	111445072	GBMKWRWLGQZDAS-AWEZNQCLSA-N	320.393	1.037	50	20	DDGD	
Cc1cncc(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)c1	173073024	WEJQVNPQQOVJSG-NSHDSACASA-N	317.320	1.758	50	20	DDGD	
CNC(=O)/C(C#N)=C\c1cc(C)c(OCC(=O)OC)c(C)c1	63874197	NSSVWDCSGBOFIK-QPEQYQDCSA-N	302.330	1.508	50	20	DDGD	
CC[C@@H](OC1CCCC1)C(=O)NNc1nc(C)cc(OC)n1	174471475	KPCMNXIJEKEKDO-GFCCVEGCSA-N	308.382	1.975	50	20	DDGD	
CC(=O)Nc1ccc(F)c(C(=O)NNc2nccnc2Cl)c1	114897807	QITKZEXSHZPAAT-UHFFFAOYSA-N	323.715	1.984	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc2ccc(OCC)cc2[nH]1	119928858	BFAZZIBQIQETPJ-UHFFFAOYSA-N	318.402	1.862	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H]2CSc3ccccc32)n1	118312081	YBOJCJPLQGZHNJ-SNVBAGLBSA-N	302.359	1.818	50	20	DDGD	
COc1cccc(CC(=O)NNC(=O)c2ccccc2OC)c1	67436269	QSEPDKHWPVTXPZ-UHFFFAOYSA-N	314.341	1.708	50	20	DDGD	
Cc1ccc(C(C)(C)C(=O)NNC(=O)c2cnn(C)c2)cc1	117682374	QGHJCTADWFNYPT-UHFFFAOYSA-N	300.362	1.467	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)o1	175432571	CLESGECPXVBQAD-UHFFFAOYSA-N	316.313	1.742	50	20	DDGD	
Cc1ccccc1CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	68525963	ZMMUBGZLIMBTDB-AWEZNQCLSA-N	310.419	1.030	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1ccc(Cl)cn1	175888042	MZRTWTIYKKNAKS-UHFFFAOYSA-N	305.725	1.525	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNC(=O)Nc1ccc(Cl)cc1	172181416	BSTQYGSMBQXCAM-CMDGGOBGSA-N	308.725	1.937	50	20	DDGD	
Cc1ccc(F)c(S(=O)(=O)NNC(=O)NC2CCCC2)c1	65832974	INCPQJQVNNXTIK-UHFFFAOYSA-N	315.370	1.569	50	20	DDGD	
CNC(=O)NNC(=O)[C@@H](C)Sc1nc2ccccc2s1	126408362	GLNGFTYBWPXXQD-SSDOTTSWSA-N	310.404	1.737	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2cncc(Cl)n2)c1C	128330375	NLPRTZSVRKBGJG-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
CCNC(=O)NNC(=O)c1nc(-c2cccc(OC)c2)[nH]c1C	123163625	ZITVBWWVEPQLMY-UHFFFAOYSA-N	317.349	1.358	50	20	DDGD	
CCOc1ncc(C(=O)NNc2ncc(F)cn2)cc1Cl	122882105	NYZAJMLGIRSSEN-UHFFFAOYSA-N	311.704	1.820	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1cc(F)c(O)c(F)c1	184155014	IUDSEHBILGKCCJ-UHFFFAOYSA-N	306.232	1.094	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1	181489842	LVUDLEXBETWZFK-BPNCWPANSA-N	318.377	1.674	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1ccc(C(F)(F)F)nn1	123973226	BSUUWKXHVMXSGM-MRVPVSSYSA-N	322.287	1.380	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccc(Cl)nn1)CN1CCCC1	123016981	YDCLYRCFBXNRKL-JTQLQIEISA-N	312.805	1.488	50	20	DDGD	
COCCCCC(=O)NNC(=O)c1cc(Cl)ccc1O	123405747	CJWPRDMEYVVOOG-UHFFFAOYSA-N	300.742	1.623	50	20	DDGD	
O=C(NCC(=O)N1CCCCC1)NNc1cc(Cl)ccn1	180660808	XOYHTVUVUITDNA-UHFFFAOYSA-N	311.773	1.374	50	20	DDGD	
O=C(NC[C@@H]1CCCS1)NNc1ccc(-n2cccn2)nn1	127279063	PTFFWZYTDXYIGO-JTQLQIEISA-N	319.394	1.184	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)N[C@H]1CCN(c2ccccn2)C1	128304659	AMGQBFDLTXTJJN-LBPRGKRZSA-N	319.409	1.427	50	20	DDGD	
Cn1nccc1NC(=O)NNC(=O)Cc1c[nH]c2ccccc12	124808011	YMYUHHZBQRXRTJ-UHFFFAOYSA-N	312.333	1.297	50	20	DDGD	
CCCOc1ccccc1NC(=O)C(=O)NNc1ccccn1	181401790	SBAKDCJTTPJDGV-UHFFFAOYSA-N	314.345	1.952	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C1(OC)CCCCC1	188533563	DXQGISMCFKUCJF-UHFFFAOYSA-N	320.389	1.734	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cccc(-n3cccc3)c2)[nH]n1	184819443	PPGGPQZRNKBKDI-UHFFFAOYSA-N	324.344	1.975	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H](C(=O)NNc2ccc(Cl)c(F)c2)O1	188508393	JXVJAUUINGTNQF-WDEREUQCSA-N	316.716	1.643	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)CO)c1cccc(C(F)(F)F)c1	182745566	PUABTDIMXLOJDT-QMMMGPOBSA-N	304.268	1.339	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2csnc2C)c(C)c1	183097661	HYJCRRDWHISOCA-UHFFFAOYSA-N	318.402	1.941	50	20	DDGD	
CCCSCC(=O)NNc1cccc(S(C)(=O)=O)c1	181139640	GEKUSJYDGSIAEM-UHFFFAOYSA-N	302.421	1.676	50	20	DDGD	
CC1CCN(CC(=O)NNC(=O)Cc2ccc(Cl)cc2)CC1	136090198	JURPUCSZCOHLHI-UHFFFAOYSA-N	323.824	1.762	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)COc1ccc(C)c(C)c1	132073720	XWNWUMMQIAGOMJ-CYBMUJFWSA-N	308.378	1.645	50	20	DDGD	
O=C(NNc1ccccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1	137248325	BZNYFFXTDLBMIV-UHFFFAOYSA-N	318.264	1.816	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](C)n1cnc2ccccc21	131739450	MZDZFEPWRKBIGU-SNVBAGLBSA-N	312.333	1.539	50	20	DDGD	
C[C@@]12CCC(=O)N1[C@@H](C(=O)NNc1ccc(F)cc1)CS2	45970530	JBEXRDPXSSMTRE-BXUZGUMPSA-N	309.366	1.723	50	20	DDGD	
Cc1nn(C(C)(C)C)c(C)c1C(=O)NNC(=O)c1ccccn1	46895020	JUDNHPPKMMKBLB-UHFFFAOYSA-N	315.377	1.725	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(-n2ccnc2)cc1	131808861	JHCCKKYGKYACRE-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
CCc1ncc(NC(=O)C(=O)NNc2cc(C)cc(C)c2)cn1	131774041	AGEVSVBYYIKMRB-UHFFFAOYSA-N	313.361	1.738	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C[C@H]1CCCCO1	86991125	FBYMQHURRWOHRN-SMDDNHRTSA-N	324.352	1.700	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)/C=C/c1ccccc1OC(F)F	190052027	UGBYGXZIFDIYRI-BQYQJAHWSA-N	314.288	1.220	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)CC(F)(F)F	97089086	GTWYVWIBKHXXIW-UHFFFAOYSA-N	320.267	1.564	50	20	DDGD	
O=C(NN=Cc1ccc(O)c([N+](=O)[O-])c1)c1ccc(O)cc1	254511977	DYUVGHWPIOBRAS-UHFFFAOYSA-N	301.258	1.770	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)NCC1(C2CC2)CC1	269764576	DPAKZYPBYSYYNI-UHFFFAOYSA-N	321.352	1.725	50	20	DDGD	
CCOC(=O)CCCNC(=O)NNc1cccc([N+](=O)[O-])c1C	263976446	OGYLLOQXVNHFKT-UHFFFAOYSA-N	324.337	1.873	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC(CN2CCCCC2=O)CC1	269454192	DSFPNMRCSFYHQA-FYWRMAATSA-N	319.405	1.681	50	20	DDGD	
C#CCOc1ccccc1CNC(=O)NNC(=O)CC(C)C	265200451	PTPGRZRCCRSNJM-UHFFFAOYSA-N	303.362	1.575	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@@H]1CCc2nccn2C1	364994711	DEIYQOPTWQKDGL-CQSZACIVSA-N	312.373	1.226	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2O)O1	268203503	GTCYRMRAYKXZEA-CABZTGNLSA-N	312.753	1.764	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)C1CCC1	264757843	MFDDQEHPAWCTAS-ZDUSSCGKSA-N	305.309	1.266	50	20	DDGD	
CCOC(=O)N1CCC[C@H](C(=O)NNc2ncccc2C)C1	276788868	WFDBPVDHPMLCKC-LBPRGKRZSA-N	306.366	1.702	50	20	DDGD	
CC(C)[C@H](O)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	365999081	JBZQGNDYORTPHT-JTQLQIEISA-N	310.741	1.850	50	20	DDGD	
COc1cccc(Cl)c1CNC(=O)NNC(=O)C1CCC1	276605397	KRMSNXAGASFEAC-UHFFFAOYSA-N	311.769	1.979	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)CSc2ccccc2O)CCO1	271917888	BLXZWQFQVDDUQR-QWRGUYRKSA-N	324.402	1.447	50	20	DDGD	
Cc1cccnc1NNC(=O)CCS(=O)(=O)C1CCCC1	276761631	RMQZQCBLZIQVNN-UHFFFAOYSA-N	311.407	1.581	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@@H](C)c1nnc2n1CCC2	276613132	GCAWGUZWSDBBES-JTQLQIEISA-N	301.354	1.315	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CCO2	274059788	LBMFMFFBLQIQOW-UHFFFAOYSA-N	319.361	1.144	50	20	DDGD	
N#CC1=CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1	271117201	NHLOYJXMQJVDBR-MRXNPFEDSA-N	309.369	1.717	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CC(C)(F)F)cc1	277217829	LFSFZAYZALKTSW-UHFFFAOYSA-N	300.305	1.821	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2CCC(=O)[C@H](C)C2(C)C)n1	275806888	QBIMREJCMBEQQN-WDEREUQCSA-N	320.393	1.878	50	20	DDGD	
C#Cc1cc(F)c(NC(=O)C(=O)NNC(=O)[C@@H](C)CC)c(F)c1	283329731	QSXYHZUDPZXNBR-QMMMGPOBSA-N	323.299	1.078	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(N)=O	286672562	OKPWVMZBCAFZMI-YGNAEDSMSA-N	321.764	1.297	50	20	DDGD	
Cn1cncc1CCC(=O)NNc1cccc(C(F)(F)F)n1	283228614	BXXNQJWRJYCZIB-UHFFFAOYSA-N	313.283	1.910	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1nc2cc(Cl)ccn2n1	289621235	DPGQMXWTDHVKHZ-ZETCQYMHSA-N	310.745	1.582	50	20	DDGD	
CC(C)[C@H](NC(=O)NNc1ccc(Cl)nc1)c1nncn1C	288366198	IWAMYNAHPNAVDS-NSHDSACASA-N	323.788	1.887	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)CCc2cnc[nH]2)cc1	802121806	QLUGGMLEKQZXPA-UHFFFAOYSA-N	316.365	1.261	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1nsc2ccc(C)cc12	294022809	HOYWWDMVIDCWHR-UHFFFAOYSA-N	322.390	1.585	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNC(=O)[C@H]2CCCCO2)cc1	295667265	WNMPUIQGFPBHRW-SWLSCSKDSA-N	320.389	1.590	50	20	DDGD	
CCCOc1cccc(C(=O)NNC(=O)N2CCOCC2)c1	299326919	AXYXYSIVXVLNTI-UHFFFAOYSA-N	307.350	1.162	50	20	DDGD	
O=C(NNc1ncccc1F)c1ccc(Cn2cccn2)o1	804214587	KOGWMDVUKPFQEY-UHFFFAOYSA-N	301.281	1.815	50	20	DDGD	
O=C(CNC(=O)C1CCCCC1)NNc1cccc(Cl)n1	293800208	XMNISOWPTVAXIN-UHFFFAOYSA-N	310.785	1.875	50	20	DDGD	
CC(C)CO[C@H](C)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802119209	BLTVBQBXMQUJKO-GFCCVEGCSA-N	322.409	1.966	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)nc1	802101962	WXUMPYBNRVOZLE-UHFFFAOYSA-N	314.301	1.585	50	20	DDGD	
Cc1cc(OCC(=O)NNc2cccc(F)n2)ccc1[N+](=O)[O-]	804774733	RMHLCWZAAVCDPD-UHFFFAOYSA-N	320.280	1.959	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)/C=C/c1ccc2c(c1)OCO2	298291295	FIYCNAMNVQOZIJ-FNORWQNLSA-N	306.318	1.984	50	20	DDGD	
C#Cc1cncc(C(=O)NNC(=O)Cn2ccc3ccccc32)c1	806795435	AICOROHPSOBHHY-UHFFFAOYSA-N	318.336	1.479	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1cc2occc2[nH]1	804957515	YTFWPBMSLORRNI-UHFFFAOYSA-N	309.289	1.494	50	20	DDGD	
C[C@H](Sc1ccccc1C(=O)N1CC=C(C#N)CC1)C(N)=O	801180129	RYMFAHRDPURUKR-NSHDSACASA-N	315.398	1.948	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c(C)c1	296977833	BXYCPRFFSDVCQQ-JSGCOSHPSA-N	305.378	1.701	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1cccnc1)c1ccsc1	801013512	YBPLBPBVXALFMZ-SNVBAGLBSA-N	304.375	1.777	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H](C)n2cncn2)ccc1C	816690026	FNUMGSIEWAWWFM-JTQLQIEISA-N	303.322	1.077	50	20	DDGD	
CCc1nocc1CN(C)[C@H](C)C(=O)NNC(=O)CC(C)C	815172518	VDJZYXZIRHBLSP-LLVKDONJSA-N	310.398	1.251	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)C2(F)CCCCC2)cc1	810538586	CCYKATUOPUUSBJ-UHFFFAOYSA-N	319.336	1.757	50	20	DDGD	
Cn1c(CC(=O)NN=C2CCOC2(C)C)nc2ccccc21	814737325	BOKBQSYRLQHLNS-UHFFFAOYSA-N	300.362	1.787	50	20	DDGD	
CS(=O)(=O)NCCNCc1ccc(OCCCCl)cc1	811471295	NDVOHLIPVFAAIV-UHFFFAOYSA-N	320.842	1.333	50	20	DDGD	
O=C(O)CCNC(=O)NNc1ccc(F)cc1Br	819492616	SNSLYNXOEMCICC-UHFFFAOYSA-N	320.118	1.689	50	20	DDGD	
CN(NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)C1CC1	819650369	JGMGZMDPBUCHGY-UHFFFAOYSA-N	320.349	1.170	50	20	DDGD	
CCOc1cccc2[nH]cc(CC(=O)NNc3cnnn3C)c12	816769767	VKQBJTZISUXCHC-UHFFFAOYSA-N	314.349	1.381	50	20	DDGD	
Cc1cccc(C=NNC(=O)COc2ccccc2O)c1O	814953382	ZZLVEGBWNLCZAT-UHFFFAOYSA-N	300.314	1.935	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cc1cccnc1)c1ccccc1	728799876	VOBUFBRKYXEVGA-GFCCVEGCSA-N	314.414	1.881	50	20	DDGD	
O=C(NCCc1cn[nH]c1)NNC(=O)c1ccc(Cl)cc1	812519518	ALPVRUUNUGHNPB-UHFFFAOYSA-N	307.741	1.250	50	20	DDGD	
C[C@]1(NS(=O)(=O)c2ccc(CCCl)cc2)CCOC1=O	810101864	DCRYOQQVCOXCHG-ZDUSSCGKSA-N	317.794	1.452	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(Br)ccc1O	823842112	PLTOSTYXVLOCDE-UHFFFAOYSA-N	303.156	1.114	50	20	DDGD	
O=C(NCCOCCF)NNc1ccc2c(=O)[nH]ccc2c1	824321121	NTWAGZMDEHVEMS-UHFFFAOYSA-N	308.313	1.140	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CSC[C@@H]2CCCO2)cc1	727294527	DMIUFJRGCZTCOI-ZDUSSCGKSA-N	308.403	1.668	50	20	DDGD	
Cn1ncc(C2CC2)c1CNC(=O)NNc1cccc(C#N)c1	822388343	YJQUVRQTDABMLF-UHFFFAOYSA-N	310.361	1.995	50	20	DDGD	
CC(=O)N[C@@](C)(C(=O)NNCC(F)(F)C(F)(F)F)C(C)C	827493867	YGQYZVMUVXXIDH-SECBINFHSA-N	319.274	1.356	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cc(F)cc(N2CCOCC2)c1	822253380	YOMTVSMUYKEFFK-UHFFFAOYSA-N	323.368	1.469	50	20	DDGD	
CCC/C=C\C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	825261387	YMINSAIAXJLRRT-PLNGDYQASA-N	307.745	1.715	50	20	DDGD	
O=S(=O)(CCl)NC1CCN(Cc2ccccn2)CC1	820786675	RCSGCLHBOMNUIC-UHFFFAOYSA-N	303.815	1.162	50	20	DDGD	
CC(C)C(=O)N1CCCC[C@@H]1C(=O)NNC(=O)CC(C)(C)C	728610331	XMLISIWAFRYTDC-GFCCVEGCSA-N	311.426	1.607	50	20	DDGD	
CC(C)COC(=O)N1CCC(=NNC(=O)c2ccc[nH]2)CC1	495886590	QHOPQUIWRATVNM-UHFFFAOYSA-N	306.366	1.989	50	20	DDGD	
CCN(CCO)NC(=O)C[C@H](c1ccccc1)c1ncc[nH]1	823884824	LDYKUVKUWYAJCD-CQSZACIVSA-N	302.378	1.277	50	20	DDGD	
CCCc1c(C(=O)NN(C)[C@@H](C)CO)[nH]c(C)c1C(=O)OC	823970540	HVNRKVVRFALQMB-VIFPVBQESA-N	311.382	1.020	50	20	DDGD	
O=S(=O)(CCl)NCc1cccnc1OCC(F)(F)F	820785354	SOBDKTJZCTUJFK-UHFFFAOYSA-N	318.704	1.638	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NNC(=O)C(C)(C)C)C1	822244015	IHTUHLHOELJOGC-MGCOHNPYSA-N	313.398	1.483	50	20	DDGD	
CO[C@H]1CCOc2c(NCc3ccc(B(O)O)cc3)cccc21	585039462	VKHFQIRTHSPHIR-INIZCTEOSA-N	313.162	1.449	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@H](CC(=O)O)c1ccc(OC)cc1	829817160	BKVAJKVXZQKVKF-IEZBTEQYSA-N	318.329	1.771	50	20	DDGD	
CN(NC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1)C1CC1	824022196	RCPPSOWFRGXKGJ-UHFFFAOYSA-N	324.406	1.357	50	20	DDGD	
Cc1ccc(CC(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1	826286592	ILOKFEIZARZLHC-UHFFFAOYSA-N	308.345	1.861	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1ccc(C[S@@](C)=O)cc1	490937985	DQLMZOQMUCSTNF-PAGBRTJLSA-N	306.387	1.625	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1cc(O)cc(F)c1	901263184	UWDZZHGUCZCOTE-HIFRSBDPSA-N	321.352	1.235	50	20	DDGD	
COCC(COC)OC(=O)/C(C#N)=C/c1cccc(OC)c1	908789761	HQOASOILKJVBDJ-NTUHNPAUSA-N	305.330	1.807	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)N[C@@H]1C[C@H]2CCCCN2C1=O	836690289	IFGXAZNFRUCXEX-GHMZBOCLSA-N	323.784	1.515	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2c[nH]nc2-c2cccs2)cn1	735411058	JDPNMVCCZLMSJW-UHFFFAOYSA-N	300.347	1.636	50	20	DDGD	
Cn1cc(NCc2cccc(B(O)O)c2)c(C2CCCCC2)n1	585043237	JLHNVDBSONCBKM-UHFFFAOYSA-N	313.210	1.760	50	20	DDGD	
COc1cc(F)cc(C=NNC(=O)Cn2nc(C)cc2C)c1	834929035	HXFZOFKZYUYORP-UHFFFAOYSA-N	304.325	1.798	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1cc(OC)ccc1Cl	732747110	KQIMEEFHCKSCQX-UHFFFAOYSA-N	321.786	1.251	50	20	DDGD	
O=C(NNc1c(F)cccc1F)N[C@@H]1CCCN(C(=O)O)C1	739454069	OPMAVXXLZVGMSO-MRVPVSSYSA-N	314.292	1.733	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cc(Br)co1	839557399	YGMQSYUFACRPPT-UHFFFAOYSA-N	315.045	1.756	50	20	DDGD	
COC(=O)c1ccc(CNC(=O)[C@@]2(C)C[C@H]2Br)o1	906701320	WVJJKWKELYCJNW-SKDRFNHKSA-N	316.151	1.856	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)c1cnn(C)c1)c1cccc(Cl)c1	735506715	KBHICGKIPJLOPP-LBPRGKRZSA-N	322.752	1.222	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1nnc(O)c2ccccc12	734261865	OHMVYHVWDXNTKO-UHFFFAOYSA-N	316.708	1.536	50	20	DDGD	
OB(O)c1ccccc1CNCCc1cc(C(F)(F)F)ccn1	585043690	SOTZMSIJIQSDMH-UHFFFAOYSA-N	324.111	1.113	50	20	DDGD	
CCC(=O)C1(C(=O)NNc2ccc(C(=O)OC)cc2F)CC1	837207479	WNHHPPORBQNLBV-UHFFFAOYSA-N	308.309	1.815	50	20	DDGD	
O=S(=O)(CCl)NC[C@@H](O)c1cccc(C(F)(F)F)c1	830628293	VJNIMYFOUYEQIY-SECBINFHSA-N	317.716	1.855	50	20	DDGD	
CCCOc1cc(C)ccc1CNCc1ccc(B(O)O)cc1	585028518	MOHOSWKRWYKWCX-UHFFFAOYSA-N	313.206	1.753	50	20	DDGD	
CC(C)(C)/C=C/C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	735594633	VEHPDVHNMBHOSC-CMDGGOBGSA-N	314.349	1.230	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)C(=O)Nc2ccc(C)cc2)n1	834933976	ADVALKRAIDDMED-UHFFFAOYSA-N	314.349	1.004	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1cccc([N+](=O)[O-])c1	918000235	DLMWDJJWHOTEJZ-UHFFFAOYSA-N	306.200	1.700	50	20	DDGD	
CN(NC(=O)[C@@]1(C(=O)OC(C)(C)C)C[C@H]2CC[C@H]1C2)C(N)=O	831519435	MVSIVZKZOZCUPF-AMJWSMQMSA-N	311.382	1.176	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCOC[C@H]1c1ccc(F)cc1	832124141	GLBYKJLLSAKQIL-AWEZNQCLSA-N	323.368	1.002	50	20	DDGD	
CCNC(=O)C(C)(C)NC(=O)[C@H](Br)C(C)(C)C	837266531	BQJRIQUCTXSFGY-QMMMGPOBSA-N	307.232	1.827	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NCCCCCCO)cc1	836432373	SWBKHEJIKIDOOC-UHFFFAOYSA-N	324.381	1.584	50	20	DDGD	
Cc1ccnc2ccc(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)cc12	843659935	ZDPWJHVCFMYJOD-DGCLKSJQSA-N	313.357	1.729	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=C1C(=O)Nc2ccccc21	916364104	COXMCQOAWZFUSK-GFCCVEGCSA-N	314.389	1.581	50	20	DDGD	
CCOc1cccc(C(C)=NNC(=O)C(=O)N2CCCC2)c1	748136167	DCMAYNMJFYLQST-UHFFFAOYSA-N	303.362	1.548	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)c2cccc(OC)c2O)n[nH]1	747513030	NSFBQBDIKLEGRL-UHFFFAOYSA-N	318.333	1.151	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@@H]1CCc2cnn(C)c2C1	846641649	KQAWSRAQUFYGOD-SNVBAGLBSA-N	318.352	1.816	50	20	DDGD	
O=C(NNc1cccc(Br)c1)[C@@]1(O)CCOC1	840401119	FZRAZCHUHCVQKZ-LLVKDONJSA-N	301.140	1.044	50	20	DDGD	
COc1ncc(C(=O)NNc2cccc(C(F)(F)F)n2)cn1	740128814	WEDIFAKLZHBDBD-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
CCc1cccc(NC(=S)NNC(=O)[C@@H]2CCO[C@H]2C)c1	843276610	DSUVODBBBOCXDH-GXFFZTMASA-N	307.419	1.992	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccn(-c3ccccc3)n2)n1	740113541	DFMISJMBWUEHBD-UHFFFAOYSA-N	323.360	1.485	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C[C@H]2CCOC2)c1	740177309	OGODQFVAYATORW-GFCCVEGCSA-N	303.387	1.412	50	20	DDGD	
CCn1c(O)nc2ccc(C(=O)NNC(=O)NCC3CC3)cc21	847390414	HNFIDFPNYJPBRN-UHFFFAOYSA-N	317.349	1.116	50	20	DDGD	
CN(NC(=O)N[C@H]1CCc2c(nnn2C)C1)c1ccccc1	848669976	LDGNTDGVZMNCND-NSHDSACASA-N	300.366	1.023	50	20	DDGD	
CN(NC(=O)C1(n2cnnn2)CCCCC1)c1ccccc1	846629829	BZKKTOYRUJRNHN-UHFFFAOYSA-N	300.366	1.500	50	20	DDGD	
CO[C@H](C=NNC(=O)[C@H]1COc2ccccc2O1)CC(C)C	841604012	JZHFCKPCXSBLCM-SWLSCSKDSA-N	306.362	1.990	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)NC[C@H](C)N(C)C	840384631	MYBCFALCHFIKBJ-VIFPVBQESA-N	314.821	1.830	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccn1C	841642844	BROXJNDCWQNNMB-ZDUSSCGKSA-N	318.377	1.392	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CCn3cccc3C2)cc(C#N)n1C	928963946	IIUWRSSFYNDWDK-NVNXTCNLSA-N	319.368	1.956	50	20	DDGD	
CCC[C@@H](NC(=O)NNC(=O)Cc1cccnc1)C1CCC1	841578784	XAOMHAQDIJKGBI-CQSZACIVSA-N	304.394	1.923	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)C12CCC(CC1)C2	842262307	RRLXNPVWNZCDLW-UHFFFAOYSA-N	309.391	1.357	50	20	DDGD	
O=C(NNC(=O)[C@H](C[C@@H]1CCCO1)C(F)(F)F)C1CCC1	845481683	CNBSNAIBYQLPLV-UWVGGRQHSA-N	308.300	1.682	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ncc(F)cc2F)[C@H]2CCCC[C@@H]2N1	854898778	BTZWBFUEERWFOI-SCVCMEIPSA-N	324.331	1.498	50	20	DDGD	
CCCCN(C)S(=O)(=O)NC[C@@]1(C)C[C@@H]1Br	856755153	ANSFWNSYPUZIJO-VHSXEESVSA-N	313.261	1.726	50	20	DDGD	
CN(C)C1(C(=O)NNc2cc(C#N)ccc2Br)CC1	855615904	XPCCLTUBSWJAOP-UHFFFAOYSA-N	323.194	1.858	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1cnc(C)n1C	853264408	CEXMYWFURIXHJD-UHFFFAOYSA-N	302.334	1.266	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ncccc2F)[C@H]2CCCC[C@H]2N1	854416475	SVMVESKAUMNYMS-JFGNBEQYSA-N	306.341	1.359	50	20	DDGD	
O=C(Cc1ccc(-n2cccn2)cc1)NNC(=O)NCC1CC1	920858993	KLBXKYJHHMNBFD-UHFFFAOYSA-N	313.361	1.155	50	20	DDGD	
CCCCNC(=O)NN=C(C)c1cccc(-n2cnnn2)c1	920752456	HNBOSCDLVRINKY-UHFFFAOYSA-N	301.354	1.486	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(-c2nnc(CC)o2)cc1	756822010	SZUREYLCNAUIBB-UHFFFAOYSA-N	303.322	1.862	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)C(C)(C)c1cccnc1)C1CC1	855099331	WQRGSGRPUCRCGA-SNVBAGLBSA-N	306.435	1.653	50	20	DDGD	
O=C(CSC[C@H]1CCCCO1)NNc1ncc(Cl)cn1	857356682	TYRGJHVELOCHCZ-SNVBAGLBSA-N	316.814	1.875	50	20	DDGD	
C[C@H](Sc1nncn1C)C(=O)NNc1ccc(Cl)cn1	856095679	RZCNZZSLSRQQAC-ZETCQYMHSA-N	312.786	1.487	50	20	DDGD	
CCC(CC)[C@@H]1C[C@H](NC(=O)NNC(=O)c2cn[nH]c2)CCO1	858350370	GPCQXZLNHISIFF-OLZOCXBDSA-N	323.397	1.338	50	20	DDGD	
CC1CC(CNC(=O)NNC(=O)[C@H](C)Oc2ccccc2F)C1	856961886	WIWBXYIASUEHLF-CXQJBGSLSA-N	323.368	1.970	50	20	DDGD	
CCOCCS(=O)(=O)NC[C@@]1(C)C[C@H]1Br	856756429	PAJGAEQDVJYMGG-RKDXNWHRSA-N	300.218	1.116	50	20	DDGD	
Cc1nn(C(C)(C)C)c(C)c1C=NNC(=O)c1cnn(C)c1	755729504	DHNPXWWZQICXFJ-UHFFFAOYSA-N	302.382	1.752	50	20	DDGD	
Cc1cccc(C[C@@H](CO)NC(=O)NNC(=O)C2CCCC2)c1	753334282	FXRWBNZUPQZNDK-HNNXBMFYSA-N	319.405	1.419	50	20	DDGD	
CN1CC=C(CNC(=O)NC[C@@]2(C)C[C@@H]2Br)CC1	856952458	DKIBJCKSRNFQAI-WCQYABFASA-N	316.243	1.721	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CC(F)(F)F)c(N(C)C)n1	757753257	MFJGVEJZPNYRIS-UHFFFAOYSA-N	319.287	1.561	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](C)CO[C@H]2CCOC2)cc1F	853838476	GPOQAFIKBJHHQI-YPMHNXCESA-N	311.357	1.954	50	20	DDGD	
Cc1cc(N(C)C)ccc1NC(=O)NNC(=O)c1ccc[nH]1	755809730	OMTRJKFMEAGHLR-UHFFFAOYSA-N	301.350	1.856	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc([N+](=O)[O-])cc1F)[C@H]1CCOC1	853788398	WIGFQIQPXROEFJ-IUCAKERBSA-N	312.301	1.785	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)/C=C/c1cncc(F)c1)C1CC1	855100973	MMPYNDFLIQMAID-MAHOQKISSA-N	308.382	1.528	50	20	DDGD	
Cc1ccc(NNC(=O)NCCOC[C@H]2CCCO2)cc1F	853745420	XRLYWPVEOSBEED-CYBMUJFWSA-N	311.357	1.956	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cnc2n1CCCCC2)C1CC1	857724342	OBIRDWABRZIQNZ-SNVBAGLBSA-N	321.450	1.517	50	20	DDGD	
N#Cc1ccc(Br)c(NNC(=O)[C@@H]2CCC(=O)N2)c1	855615712	RFBIWLPFEZTAJI-VIFPVBQESA-N	323.150	1.042	50	20	DDGD	
CN(C)c1ccnc(C(=O)NNC(=O)OCC(F)(F)F)c1	856024345	RRVGIHASZJHIPZ-UHFFFAOYSA-N	306.244	1.081	50	20	DDGD	
C[S@@](=O)C1(CNC(=O)NNc2ccc(Cl)cn2)CCC1	852306368	METMWAASIXSAEC-HXUWFJFHSA-N	316.814	1.662	50	20	DDGD	
CO[C@H](C)CNC(=O)NNC(=O)c1ccc(Cl)cc1F	852535852	LZTQBNYUPMYKON-SSDOTTSWSA-N	303.721	1.458	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cccc(Cl)c1F	759666983	RIDKPQPLVYKECZ-SECBINFHSA-N	302.733	1.981	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C(C)(C)SC)cc1OC	854180404	LYRVRIXHHWVMCU-UHFFFAOYSA-N	312.391	1.606	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cccc3ncccc23)nn1C	757755994	MUZTYCDEUUQUEO-UHFFFAOYSA-N	324.344	1.743	50	20	DDGD	
C[C@@H]1CCN(C(=O)NC[C@]2(C)C[C@@H]2Br)[C@H](CN)C1	857105108	DZUXOMFTLNRZJG-BLFANLJRSA-N	318.259	1.929	50	20	DDGD	
C[C@H]1Cc2cc(NC(=O)NNC(=O)C3CCOCC3)ccc2O1	933138252	URPZZOGVWFZJMW-JTQLQIEISA-N	319.361	1.589	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)[C@@H]2CC23CCC3)nc2ccccc21	759691139	VBKJRPFTHBCGHR-NSHDSACASA-N	312.373	1.453	50	20	DDGD	
CCc1ccc(CC(=O)NN(C)C(=S)NCCCOC)nc1	854286314	PVHDZOFZJGYNDR-UHFFFAOYSA-N	324.450	1.061	50	20	DDGD	
C[C@]1(CNc2ncccc2S(N)(=O)=O)C[C@@H]1Br	856787017	UNPGHACYUXEYGS-WCBMZHEXSA-N	320.212	1.314	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)n1	862518511	VFWPBQITIDIXPO-YNEHKIRRSA-N	302.378	1.528	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC([C@H]2CCNC2)CC1	866763903	JKXHPGLOBYJXCY-ZDUSSCGKSA-N	322.902	1.903	50	20	DDGD	
C[S@@](=O)CCCNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	769805599	KXTOFPBQQYZSEZ-OXKORPGDSA-N	322.268	1.825	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H](C)C(F)(F)F)n1	762902204	PQPVBNHQPQWDKP-MRVPVSSYSA-N	305.304	1.964	50	20	DDGD	
O=C(NN=CCC[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCS(=O)(=O)C1	768772873	KSMNOHLMKQCNRX-YIYPIFLZSA-N	312.435	1.740	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H](C)Cc2cnn(C)c2)c1	862480426	VRJXDSHQHMCFFZ-SNVBAGLBSA-N	306.391	1.430	50	20	DDGD	
Cn1cccc1C(=O)NN=Cc1n[nH]c2cc(C(=O)O)ccc12	765565091	QBIBSZZEPZEYHM-UHFFFAOYSA-N	311.301	1.364	50	20	DDGD	
CCc1noc(COCC(=O)NNc2cc(C)ccc2F)n1	935023327	JOZDWLJBVXDWDS-UHFFFAOYSA-N	308.313	1.739	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cn(C3CC3)nn2)c1C	862185134	TZASXCFDEKATJI-UHFFFAOYSA-N	315.333	1.465	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cc(F)cc2nn[nH]c12	763939267	AQERZSIGTRCAML-UHFFFAOYSA-N	313.292	1.480	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(CCC(C)C)cc1	763438002	LFQJONBJAPXWIO-UHFFFAOYSA-N	305.378	1.771	50	20	DDGD	
CC(C)(C)n1cnc(C(=O)NNCC(F)(F)C(F)(F)F)n1	863099552	MZGRAYUXXDLXIQ-UHFFFAOYSA-N	315.246	1.465	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1cnc2nccnc2c1	760371704	BJTHIWRAKBARRE-UHFFFAOYSA-N	300.709	1.252	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H](C)c2ccc(F)c(F)c2)nc1O	1116144951	JWLBBOZZYGVVJL-ZCFIWIBFSA-N	309.276	1.411	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ncn(Cc2ccccc2)n1	769985592	YWEKFRDRORNZQU-UHFFFAOYSA-N	316.365	1.525	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1ccc(O)c(F)c1	768069598	DFUDKPGYQXFLKS-UHFFFAOYSA-N	315.264	1.733	50	20	DDGD	
O=C(C[C@H]1COC(=O)C1)NNc1ccc(Br)nc1	768026732	BJVSYNWWBRYMLH-SSDOTTSWSA-N	314.139	1.240	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)C2CCOCC2)c(OC)c1	1119361306	JIGTVANOSHQUKP-UHFFFAOYSA-N	306.362	1.971	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNC(=O)CC(F)(F)F)cc1	764117757	VYSIZVVLHBPFPS-UHFFFAOYSA-N	317.267	1.287	50	20	DDGD	
CCOC(=O)C1(C)CC(=NNC(=O)Cn2nc(C)cc2C)C1	872334645	HWGJEYIUJAXONK-UHFFFAOYSA-N	306.366	1.335	50	20	DDGD	
COCCOCC(=O)NN=C1CCCc2c(OC)cccc21	872400059	GHORYWRGJQAFQA-UHFFFAOYSA-N	306.362	1.515	50	20	DDGD	
O=C(COCC1CC1)NNC(=O)c1nc2ccccc2s1	874913740	PSCVZXNEIPXHES-UHFFFAOYSA-N	305.359	1.484	50	20	DDGD	
COc1cccc([C@@H](C)NCC(=O)NNC(=O)C(C)(C)C)c1	774858249	XCPFYPYXTNAZCA-LLVKDONJSA-N	307.394	1.539	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)N[C@H](C(C)(C)C)C(F)(F)F	775980896	WKIMZDYDHXSRPS-SECBINFHSA-N	321.303	1.639	50	20	DDGD	
COc1cc(C)ccc1C(=O)NNc1nncc(N)c1Cl	1116688140	IDIDFSTYAABZRH-UHFFFAOYSA-N	307.741	1.786	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc(COC)cc1	774616198	XQPXWRCTYAAMJT-JTQLQIEISA-N	300.380	1.189	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cnn(-c2ccccc2F)c1	770347044	FLMIKHRBRDDUTA-UHFFFAOYSA-N	305.313	1.820	50	20	DDGD	
Cc1ccc(-c2ncccc2NC(=O)NNC(=O)CCO)s1	1116718474	YHQBNYJTIRCOAX-UHFFFAOYSA-N	320.374	1.654	50	20	DDGD	
COCCn1cc(CNC(=O)NNc2cccc(C)n2)cn1	875560912	OLOADSPFSSJQOX-UHFFFAOYSA-N	304.354	1.059	50	20	DDGD	
COC[C@@H](C)C(C)=NNC(=O)COc1ccccc1[N+](=O)[O-]	777877833	AWTLDVYMGWTOKF-SNVBAGLBSA-N	309.322	1.748	50	20	DDGD	
CCC(CC)n1nccc1C(=O)NNC(=O)CC(F)(F)F	771000235	ZAKKBYHSOPKSDN-UHFFFAOYSA-N	306.288	1.958	50	20	DDGD	
Cn1ncc([N+](=O)[O-])c1C(=O)NNc1ccc2ccccc2n1	777468382	ZMTRZYJPGPQCDL-UHFFFAOYSA-N	312.289	1.633	50	20	DDGD	
CCn1nccc1NC(=O)C(=O)NNc1ccc2ccccc2n1	773654290	CGZNRAZMAJTPMF-UHFFFAOYSA-N	324.344	1.533	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])c1	776346161	FGKADTFAWGJWAS-UWVGGRQHSA-N	309.322	1.862	50	20	DDGD	
CS(=O)(=O)CCCC(=O)NNc1ccc(F)c([N+](=O)[O-])c1	771593419	WTNCIVVMYNUNLB-UHFFFAOYSA-N	319.314	1.002	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2nc(SC)ns2)n1	775668059	YOYZJHBFIGQDHV-UHFFFAOYSA-N	313.368	1.207	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)Cc2ccc(Cl)cc2)CCO1	776339893	VQEFUGWCSFLLKY-ZYHUDNBSSA-N	310.781	1.845	50	20	DDGD	
CN(C[C@@H](O)Cc1ccccc1)S(=O)(=O)CCCCl	882219725	CZOHJRPKMKHPEQ-ZDUSSCGKSA-N	305.827	1.481	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1n[nH]cc1Br	1123721778	COCKMZWMBPGBKB-UHFFFAOYSA-N	316.546	1.978	50	20	DDGD	
COc1ccccc1CNC(=O)NNc1ncncc1Cl	780692908	HZTXLIPGIMDEGC-UHFFFAOYSA-N	307.741	1.965	50	20	DDGD	
COc1cccc(NNC(=O)c2cccc(NC(N)=O)c2)n1	781023875	LZMYQBYEGUHJFG-UHFFFAOYSA-N	301.306	1.338	50	20	DDGD	
CCNC(=O)CC(=O)NNc1ccc(Br)cc1C	780994821	ZVWIBOBAEHIZCP-UHFFFAOYSA-N	314.183	1.727	50	20	DDGD	
CC[C@@H]1C(=O)N(CC)CCN1S(=O)(=O)CCCCCl	780852806	AWNYSOQWJAZETD-LLVKDONJSA-N	310.847	1.278	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1nc2cnccc2s1	899997491	VMTBTCUVIHFQDX-UHFFFAOYSA-N	309.420	1.599	50	20	DDGD	
COC(=O)c1[nH]c(C)c(C(=O)NNc2ncncc2Cl)c1C	781833030	DKPDPIWTRDAPSZ-UHFFFAOYSA-N	323.740	1.618	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H](C(C)C)C2)c(O)c1	892926972	OVKMYFWFURFKFK-DOMZBBRYSA-N	320.389	1.913	50	20	DDGD	
Cc1ccsc1C(=O)NNc1ccc(-n2ccnc2)nn1	788174257	GKBDKLDGLKVFSZ-UHFFFAOYSA-N	300.347	1.789	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cccc(-n3cccn3)n2)n1	794082127	ZNIJXKSTIIEJKM-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C1=CCOCC1	793972460	UBJYKOHDTDYLPE-JTQLQIEISA-N	324.764	1.601	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CSc2ccc(O)cc2)n1	794079980	JFVKTIOSCBJKLT-UHFFFAOYSA-N	317.370	1.649	50	20	DDGD	
C[C@@H]1CCN(Cc2ccccc2)CC1=NNC(=O)C[N+](C)(C)C	794456195	JDPFJYIZQVPTAF-OAHLLOKOSA-O	317.457	1.707	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc(Cl)c(C#N)c2)n1	794072482	MWZUDDORORYCQZ-UHFFFAOYSA-N	314.732	1.990	50	20	DDGD	
COc1cc(NNC(=O)C2(S(C)(=O)=O)CC2)ccc1Cl	792490451	DDSXKCILNXBPDT-UHFFFAOYSA-N	318.782	1.369	50	20	DDGD	
O=C(C[C@H]1CCCOC1)NNC(=O)c1ccc(Cl)cc1O	794992414	XZLSPUYBUXFJME-SECBINFHSA-N	312.753	1.623	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc2c(C(F)F)nn(C)c2s1	792082825	ANWFYAYTWVCINY-UHFFFAOYSA-N	317.321	1.536	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cnns2)c2ccccc2n1	799010569	ISKGFAZIUROPGR-UHFFFAOYSA-N	313.342	1.470	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cnc(-c2ccccn2)s1	1318405223	HRFBKPLNMJFLFO-UHFFFAOYSA-N	321.431	1.722	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H]1CCCCN1Cc1ccncc1	1318479621	SGZXFWAGJRCUSI-CQSZACIVSA-N	319.409	1.177	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1c[nH]cc(Cl)c1=O	1321796675	FZWABXQYZITCKW-UHFFFAOYSA-N	300.105	1.229	50	20	DDGD	
CCN(C[C@@H](CBr)C1CC1)[C@@H]1CCS(=O)(=O)C1	701858891	LANVTJVESOFFNF-VXGBXAGGSA-N	324.284	1.917	50	20	DDGD	
O=C(CCc1nc2cccnc2[nH]1)NNc1ncccc1F	1323989926	LMUAYNVGQBULEN-UHFFFAOYSA-N	300.297	1.568	50	20	DDGD	
Cc1cc(C(=O)N2CC[C@H](B(O)O)C2)c(Br)s1	585064608	ABIGYKQJMNVTLO-ZETCQYMHSA-N	318.001	1.508	50	20	DDGD	
O=C(c1ccc(Br)cc1F)N1CC[C@H](B(O)O)C1	585070309	YOZQFMYYFUQIMX-ZETCQYMHSA-N	315.935	1.277	50	20	DDGD	
Cc1nc(N(C)C)sc1C(=O)NNc1ccc(Cl)nn1	1337380757	JAKHHQWOPKFFGR-UHFFFAOYSA-N	312.786	1.718	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1cccnn1)CC(F)(F)F	1333605552	FVSOXEPLUVWNKX-SSDOTTSWSA-N	305.260	1.009	50	20	DDGD	
CN(NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)C1CC1	1335959432	DKUJQQKJIJTSMI-UHFFFAOYSA-N	317.798	1.451	50	20	DDGD	
CCN1C(=O)C(=NNC(=O)C2CCOCC2)c2cc(C)ccc21	1330904432	RHBXXCHESMYLFB-UHFFFAOYSA-N	315.373	1.608	50	20	DDGD	
C[C@H](NC(=O)CC1CCCCC1)C(=O)NNc1ccn(C)n1	1261383512	OAODRAKVOLVTAL-NSHDSACASA-N	307.398	1.338	50	20	DDGD	
Cc1cccc2nc(C(=O)NNC(=S)NCC3CCC3)cn12	1261740826	RHPVLAHFOYVUJL-UHFFFAOYSA-N	317.418	1.552	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1ncccc1Br	1263997631	YHPHMSLDKWJPJG-CMDGGOBGSA-N	310.151	1.904	50	20	DDGD	
COc1nccnc1NNC(=O)c1cccc(-n2ccc(C)n2)c1	1342605899	BOBQHIBNYPKQLB-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1CC(=O)N(C)c2ccccc21)C(F)(F)F	1348382550	BHIYRWXMXVXZMU-WCBMZHEXSA-N	315.295	1.708	50	20	DDGD	
O=C(O)[C@@H]1C[C@H]2CC[C@H]1N(CCI)C2	1601791419	PCEQZXJKGGRXQN-IWSPIJDZSA-N	309.147	1.607	50	20	DDGD	
Cc1cc(=NC(=O)NNc2cccc(C(=O)O)c2C)cc[nH]1	1607690814	UELBEWPBXRDFMH-UHFFFAOYSA-N	300.318	1.967	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)c1cnn2ccccc12	1608828481	IDODAXDDNGJGON-UHFFFAOYSA-N	314.276	1.929	50	20	DDGD	
Cc1c(NNC(=O)NCC2=CCOCC2)cccc1C(=O)O	1607551875	AKZNGZQFXQHWTA-UHFFFAOYSA-N	305.334	1.666	50	20	DDGD	
O=C(/C=C/c1ccc(C(=O)O)o1)NNC(=O)NCc1ccco1	1605660201	SOYIAKDTDNVORE-GQCTYLIASA-N	319.273	1.115	50	20	DDGD	
O=C(NNc1ccc(F)cc1)N[C@H]1C[C@H]2C[C@@H](C(=O)O)C[C@@H]12	1608480491	LWGCQLYSARZFKV-RQSQLSILSA-N	307.325	1.951	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(-c3nn[nH]n3)c(Cl)c2)on1	1605621619	LEEHREISICSODM-UHFFFAOYSA-N	319.712	1.573	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NNc1cccc(C(=O)O)c1	1609963647	HHWOQKIJEFGKFA-NSHDSACASA-N	308.338	1.055	50	20	DDGD	
COC1(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)CCCCC1	1549320063	KIMXGRFOAQTHMS-ZIAGYGMSSA-N	309.410	1.301	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@H]2CCc3cc(N)ccc32)cn1	1579958895	LLHJKSOONFATBO-DZNGUJDPSA-N	307.357	1.713	50	20	DDGD	
CC[C@H](NC)C(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	1577172397	XRVXPOSWVJNZEE-CABZTGNLSA-N	313.785	1.253	50	20	DDGD	
C[C@H](NC(=O)NNc1nc2cccnc2s1)c1cnn[nH]1	1575644687	AAIZHIKUANLVPR-LURJTMIESA-N	304.339	1.197	50	20	DDGD	
O=C(CCN1CCNCC1)NNc1ccc(F)cc1Cl	1580534243	PUIWPBFAXVKHDC-UHFFFAOYSA-N	300.765	1.218	50	20	DDGD	
CO/C=C(\C)C(=O)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846388019	KJIZUXRAKDHPGL-RMKNXTFCSA-N	321.204	1.544	50	20	DDGD	
C#CCN(C)CCCNC(=O)NNc1ccc(C(=O)O)c(F)c1	1588461017	BVJUKKMIKUMBBE-UHFFFAOYSA-N	322.340	1.105	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)[C@@]1(c2ccccc2)CCNC1	1580743049	OIGLMNAHLMOKSF-INIZCTEOSA-N	318.327	1.734	50	20	DDGD	
CC/C=C(\C)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2	1846754330	JUBZLZGVBSXBBV-JXDHDYMSSA-N	314.813	1.146	50	20	DDGD	
C[C@H]1CN(C(=O)[C@H](Br)C(C)(C)C)C[C@@H](C(=O)O)O1	1599911591	CTHLBFFQTMOUOC-CIUDSAMLSA-N	322.199	1.497	50	20	DDGD	
O=C(CNc1ccccc1Cl)NNc1ncccc1C(=O)O	1594697299	GBPGPXPIGQUOKT-UHFFFAOYSA-N	320.736	1.988	50	20	DDGD	
O=C(O)CC[C@@H]1CCCN(CCI)C1	1595018959	IGDMJQCVAPYUDN-VIFPVBQESA-N	311.163	1.998	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)C1(OC)CCOCC1	1599375837	GUHIZGHVJFDZEQ-UHFFFAOYSA-N	324.333	1.032	50	20	DDGD	
CCc1cc(CC(=O)NNc2ccc(C(=O)O)cc2F)n(C)n1	1597471605	WSPQJZMENHINOD-UHFFFAOYSA-N	320.324	1.506	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=Cc1ccc(OCC(=O)O)cc1	1776102260	KYGLHKDZKWZWEC-QWHCGFSZSA-N	306.318	1.025	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=Cc1cc(Cl)ncc1C(=O)O	1776101853	APUHZDWRDUZXFB-WCBMZHEXSA-N	311.725	1.308	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)c1c(C)cnn1C	1776046423	PKINOJZTRNZLKT-UHFFFAOYSA-N	315.333	1.972	50	20	DDGD	
CC1=C(C(=O)NNC(=O)COc2ccc(C)cc2)CCCO1	158850150	CYWKGXQCMVHCTA-UHFFFAOYSA-N	304.346	1.606	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(CN(C(C)=O)C2CC2)cc1	163497161	WOWWPQVHXKUNKX-UHFFFAOYSA-N	304.350	1.370	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccc(OC)nn2)cc1	151185284	ZHOOZZJCMYZJAR-UHFFFAOYSA-N	300.318	1.122	50	20	DDGD	
Cc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cc(C)n[nH]2)cc1	153215116	RQOTUJKBEVLYLK-NSHDSACASA-N	302.334	1.255	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(-c2ccccc2C)nn1C	153507454	SVNKKSBUXCJJEO-UHFFFAOYSA-N	303.322	1.788	50	20	DDGD	
O=C(NNc1nccc(N2CCOCC2)n1)C1CCCCC1	155582676	CPLQSPQZFRRDPK-UHFFFAOYSA-N	305.382	1.337	50	20	DDGD	
Cc1cccc(C(=O)NNc2nc3ccccc3c(=O)n2C)c1O	154232113	AWHWJUFLSDTMMP-UHFFFAOYSA-N	324.340	1.704	50	20	DDGD	
Cc1cc([C@H]2CCCN2S(=O)(=O)CBr)on1	127192998	ZJMHPLYGGRUPEF-MRVPVSSYSA-N	309.185	1.802	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NNC(=O)C(C)(C)C)cc1	109150682	FPQGWNYPXSVSOB-UHFFFAOYSA-N	306.366	1.270	50	20	DDGD	
CCc1noc(C)c1C(=O)NNC(=O)c1ccc2c(c1)OCO2	8141325	TZFIEOMXTSQJNH-UHFFFAOYSA-N	317.301	1.349	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc(C)n(C(C)C)c1C	109996364	NXUJFRBKQGXQGV-UHFFFAOYSA-N	303.366	1.792	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNC(=O)Cc1ccc(F)cc1	104137419	LWFMDQHBOGDAHS-UHFFFAOYSA-N	323.368	1.212	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)C(=O)NNC(=O)CNc1ccccc1	104830079	BHDBCJVGEFAGLF-SNVBAGLBSA-N	316.361	1.654	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc3ccccc3cc2O)[nH]n1	50170294	ARGMRNIOFRRBII-UHFFFAOYSA-N	310.313	1.652	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)NCCC(C)C	54029786	DBAXHGYBVWBMJR-UHFFFAOYSA-N	309.366	1.451	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)CC2CCCC2)C1	175212342	BQMTWDSXNMWFES-QWHCGFSZSA-N	310.394	1.694	50	20	DDGD	
C[C@@H]1CCC[C@@H](OCC(=O)NNC(=O)CNc2ccccc2)C1	112724339	FLWPPAVIBYIIII-UKRRQHHQSA-N	319.405	1.841	50	20	DDGD	
CCCNC(=O)COC(=O)/C(C#N)=C/c1cccc(OC)c1	21692113	UJXCFRKBOXKEOE-MDWZMJQESA-N	302.330	1.672	50	20	DDGD	
Cc1cc(C)n2nc(C(=O)NNc3cccnc3Cl)nc2n1	176250317	FEGRDVUNCYNEOE-UHFFFAOYSA-N	317.740	1.546	50	20	DDGD	
C[C@@H](CNC(=O)NNc1cccnn1)COCc1ccccc1	172493741	KJQAKBFSVUIHAU-ZDUSSCGKSA-N	315.377	1.956	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnc(SC)n1-c1ccccc1	65190851	FLIARAUVOHBYNU-UHFFFAOYSA-N	319.390	1.558	50	20	DDGD	
CC(=O)NNC(=O)Nc1cnn(-c2cc(C)ccc2C)c1C	119134356	KSPSGZRTBXPTBB-UHFFFAOYSA-N	301.350	1.970	50	20	DDGD	
CC[C@H](OC)C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	65835061	KMDCNMWONHVDKY-STQMWFEESA-N	308.378	1.643	50	20	DDGD	
CCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)N(C)C	171293193	ZFQOVKZGPLFMPN-UHFFFAOYSA-N	317.349	1.187	50	20	DDGD	
COCc1c(C(=O)NNC(=O)NCC2CC2)oc2ccccc12	65193086	RMVWOEHCZAMYPW-UHFFFAOYSA-N	317.345	1.933	50	20	DDGD	
CCOC(=O)NNC(=O)Cc1c(C)nn(CC(F)(F)F)c1C	124487560	ZEEJGFCRQPBYRG-UHFFFAOYSA-N	322.287	1.382	50	20	DDGD	
CC(C)c1ncc(Cl)c(C(=O)NNc2ncc(F)cn2)n1	122994668	BSWRKICRKLLMFW-UHFFFAOYSA-N	310.720	1.939	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@@H]1CCCc2sccc21	405005030	QSBQCGHVEFEVII-CYBMUJFWSA-N	301.176	1.487	50	20	DDGD	
CC(C)CN1CCC[C@H](CNC(=O)NNC(=O)C(C)(C)C)C1	126569666	WGNXQNTVPXXKCR-CYBMUJFWSA-N	312.458	1.731	50	20	DDGD	
COCCCN(C)C(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	126546719	QAQVLTDESZXVNI-ZSOIEALJSA-N	300.362	1.607	50	20	DDGD	
COc1ccc(NNC(=O)Nc2ccc([S@](C)=O)cc2)nc1	122099187	SGQTVKGRLOXPSY-JOCHJYFZSA-N	320.374	1.976	50	20	DDGD	
CCCN1CCC[C@@H]1C(=O)NNC(=O)c1cccc(N(C)C)c1	123898607	KSVRCZPRXSESPW-OAHLLOKOSA-N	318.421	1.388	50	20	DDGD	
O=S(=O)(CBr)NCCCOc1ccccc1	127426069	VEGHKHRQDKHFKE-UHFFFAOYSA-N	308.197	1.727	50	20	DDGD	
O=C(NNc1nccnc1Cl)[C@@H]1COc2ccc(F)cc2C1	121039726	NNXJYFKDBVFDGC-VIFPVBQESA-N	322.727	1.964	50	20	DDGD	
CCN(CCO)C(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C	129487080	GBAAFUATWFQPRR-LFIBNONCSA-N	319.405	1.499	50	20	DDGD	
CC(C)Oc1ncccc1NC(=O)C(=O)NNc1ccccc1	185219740	QGBUQPXXWOQKKG-UHFFFAOYSA-N	314.345	1.951	50	20	DDGD	
C[S@](=O)c1ccc(NC(=O)NNC(=O)c2cccnc2)cc1	186162964	YOJUGAGMYKBFFE-QFIPXVFZSA-N	318.358	1.286	50	20	DDGD	
C[C@H]1Oc2ccccc2N(CC(=O)NNc2ccccn2)C1=O	181182501	ZYPUIRMCEIBBPX-LLVKDONJSA-N	312.329	1.339	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(Cl)cc1	77164099	XHGCTXSLYDWPBZ-UHFFFAOYSA-N	311.769	1.406	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@H]1CCN(c2ccccn2)C1	120465959	BBQUQCLKCDCNBQ-NSHDSACASA-N	305.382	1.037	50	20	DDGD	
CN(NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)C(N)=O	182634710	QXYMKSWNIUIFJH-UHFFFAOYSA-N	324.340	1.793	50	20	DDGD	
CCS(=O)(=O)C[C@H](C)NC(=O)NNc1ccccc1Cl	72684453	MGFFZAKMJIVGDW-VIFPVBQESA-N	319.814	1.789	50	20	DDGD	
C[C@H]1CCCN([C@@H](C)CNC(=O)NNC(=O)c2ccc[nH]2)C1	127019524	MNLHVVIOSJXBCZ-RYUDHWBXSA-N	307.398	1.079	50	20	DDGD	
Cc1cc(NC(=O)NNc2cccc(S(C)(=O)=O)c2)n(C)n1	183089695	ZNQRZBCAHZULFB-UHFFFAOYSA-N	323.378	1.281	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)C[C@H]1CCCO1	76269651	XWYNVVJBHRZKLE-SNVBAGLBSA-N	312.753	1.679	50	20	DDGD	
CN(NC(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)C(N)=O	181088671	PUFMHKNURRSZAT-NXEZZACHSA-N	301.268	1.851	50	20	DDGD	
CCc1c(C(=O)NNC(C)=O)cnn1-c1ccc(OC)cc1	184726811	DJBSJPNLQYCQPD-UHFFFAOYSA-N	302.334	1.224	50	20	DDGD	
Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)[C@@H]1CCCO1	42960140	XRDHSGNDHCCJJA-LBPRGKRZSA-N	315.329	1.590	50	20	DDGD	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)CC(C)(C)C	78362311	YHEDZXQJSGQNLL-LLVKDONJSA-N	303.362	1.909	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccc(F)cc2F)cn1	131269753	AWWGOJNYJYANIJ-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)CC1CCSCC1)C1CC1	135572720	CXPNDIXPLZODGE-SECBINFHSA-N	301.481	1.814	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCCCCC1	136171616	CCRPXEHKQJXJTD-UHFFFAOYSA-N	303.406	1.561	50	20	DDGD	
O=C(CN1CSCC1=O)NNc1ccc(C(F)(F)F)cn1	132138775	RUOPSWBFHBENKN-UHFFFAOYSA-N	320.296	1.076	50	20	DDGD	
O=C(COc1ccc2c(c1)CCC2)NNc1nc2ccccn2n1	191925488	BRTCFHDXGHNNOK-UHFFFAOYSA-N	323.356	1.740	50	20	DDGD	
Cc1cc(NC(=O)CN(C)CCI)no1	190809846	KXHFJZQBVNZOEJ-UHFFFAOYSA-N	323.134	1.288	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1noc2c1CCCCC2	191925031	CGMGGDVJWPTIPC-UHFFFAOYSA-N	312.333	1.743	50	20	DDGD	
C[C@H]1Oc2c(cccc2C(=O)NNC(=O)OC(C)(C)C)NC1=O	264289176	PIBWXCIBQJWQLP-MRVPVSSYSA-N	321.333	1.576	50	20	DDGD	
COC(=O)[C@H](NNC(=O)CC(C)C)c1cc(OC)cc(OC)c1	268744229	UCNMJOKQIRWIOK-OAHLLOKOSA-N	324.377	1.585	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H](NC(=O)OC)C(C)C)cc1	264580013	WXGYXNWBFHELBF-ZDUSSCGKSA-N	321.377	1.391	50	20	DDGD	
CCCN(CCC)C(=O)c1cccc(C(=O)NNC(C)=O)c1	264020245	IZULLVZONHYNTG-UHFFFAOYSA-N	305.378	1.730	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H](C)CC[S@](C)=O	268272990	TYLAPKZJTZFNOF-YBYGRFCBSA-N	319.858	1.626	50	20	DDGD	
CCCCOCC(=O)NNC(=O)c1ccc2c(c1)OCCO2	265389267	NKRBLXSWCMKFFN-UHFFFAOYSA-N	308.334	1.036	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)C(C)(C)c1ccccc1)C1CC1	269659280	JCOAAVSGSGGNOD-AWEZNQCLSA-N	319.405	1.720	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCO1)Nc1ccc(OC(F)F)cc1	266516280	IWFMANDUPMJCCA-SNVBAGLBSA-N	315.276	1.620	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=S)NCCSC	269842618	NVQRTVRYTYDYAQ-UHFFFAOYSA-N	313.448	1.096	50	20	DDGD	
CN(C(=O)/C(C#N)=C\c1ccc(O)cc1)[C@@H]1CCCCNC1=O	366011620	NVZVRLLJAFAEKW-VSKPTYQZSA-N	313.357	1.426	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Cn1ccc2ccccc2c1=O	279687218	AMKAFTAWEWAZBG-UHFFFAOYSA-N	317.345	1.557	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCC1(S(C)(=O)=O)CC1	279628995	HTAJZRFZNGZMBZ-UHFFFAOYSA-N	315.370	1.337	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](O)CCc2ccccc2)s1	271101441	XWRLSAJVTJBNCZ-ZDUSSCGKSA-N	318.398	1.811	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2(C)COC(C)(C)OC2)c1	272873143	XFIWEJBTBKJBSG-UHFFFAOYSA-N	322.361	1.706	50	20	DDGD	
COCCn1nc(C)c(NC(=O)NNC(=O)C2CCC2)c1C	272784577	FNVSQFMULGPRAN-UHFFFAOYSA-N	309.370	1.099	50	20	DDGD	
Cc1ccc(NNC(=O)NCC2(c3ccccn3)CCC2)nn1	367814469	LIDWHOKIRLWIHP-UHFFFAOYSA-N	312.377	1.928	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C[C@@](C)(O)C2CC2)c1	270019531	ABRREIKOZKVIOG-QGZVFWFLSA-N	320.389	1.381	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H]2CCC(=O)[C@H](C)C2(C)C)n1	275674291	QAYMJRJZNRSPNH-UWVGGRQHSA-N	306.366	1.570	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1cccnc1Br	272867001	TUYUKHDCNGDNIG-UHFFFAOYSA-N	313.155	1.797	50	20	DDGD	
Cc1nc(C)c(NC(=O)C(=O)NNC(=O)OC(C)(C)C)s1	274263442	XPQDUZCCKXAKQP-UHFFFAOYSA-N	314.367	1.254	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCCCOC(C)C	272883726	WGXKMEYYZFRYBD-UHFFFAOYSA-N	323.393	1.844	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H](C)N(C)C2CC2)c1	272556981	GCDASBBNSDQZAW-LLVKDONJSA-N	320.393	1.582	50	20	DDGD	
Cc1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)CC(C)C	274009810	ANBGYTCZBKNZAT-UHFFFAOYSA-N	311.769	1.780	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H](C)C2=CCN(C)CC2)n1	273022577	UDTHJJGGLUHZCT-GFCCVEGCSA-N	304.398	1.370	50	20	DDGD	
C[C@@H]1OCC[C@]12CN(CCI)CCO2	375916603	BOGOEQBFJGXDQE-UWVGGRQHSA-N	311.163	1.301	50	20	DDGD	
Cn1cc([C@H](NC(=O)NNc2cccnn2)c2ccccc2)cn1	374957890	YGPOLXNAPCQKBH-OAHLLOKOSA-N	323.360	1.626	50	20	DDGD	
CCCC(=O)N1CCC[C@H]1C(=O)NNC(=O)Nc1ccccc1	283800914	VRCCHHWUFWNKDI-ZDUSSCGKSA-N	318.377	1.630	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1cc(C2CC2)n(C)n1	289781330	LGZXYAOHPSQFFS-UHFFFAOYSA-N	302.338	1.103	50	20	DDGD	
O=C(CC1(N2CCOCC2)CCCC1)NNc1cccc(F)n1	286639703	SZSGWWKTFJDHQP-UHFFFAOYSA-N	322.384	1.699	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)c1ccc(Cl)cc1O	280068297	PLUPWNVQMPBPJH-IUCAKERBSA-N	324.764	1.812	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCC[C@H]2CCCCO2)n1	280396783	VIBRFGLVSSXFJI-CYBMUJFWSA-N	320.393	1.683	50	20	DDGD	
COc1ccnc(NNC(=O)NCCC2C[C@H](C)O[C@@H](C)C2)n1	802511489	XPPXNCGLOOGNIX-QWRGUYRKSA-N	323.397	1.705	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)CCCC#N)cc1OC	291024467	WLFNKKPVOWCPDQ-UHFFFAOYSA-N	305.334	1.549	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)[C@H](C)CN2CCCCCC2)nn1	807957589	RHRLZZFESTXDRV-CQSZACIVSA-N	320.441	1.821	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2ccc3c(c2)CCC3)O1	292791526	MVNONUPQIFRLIP-HZMBPMFUSA-N	303.362	1.896	50	20	DDGD	
Cc1ncc2n1CC[C@H](C(=O)NNc1ccc(Cl)nc1)C2	290304000	IXPUSMYSCZXOJI-JTQLQIEISA-N	305.769	1.946	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccc[nH]1)[C@@H]1OCCc2sccc21	292127951	CONFNQLTXDYMDU-RNCFNFMXSA-N	319.386	1.787	50	20	DDGD	
CC(C)(C(=O)NNc1cccc(F)n1)n1cc([N+](=O)[O-])cn1	804769057	FWCNBEMASROWNA-UHFFFAOYSA-N	308.273	1.204	50	20	DDGD	
CC[C@H](C)CCC(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1	806341100	ZWEFFIPPUDRZMD-IHRRRGAJSA-N	313.442	1.459	50	20	DDGD	
O=C(Cn1cc(Cl)cn1)NNc1cccc(F)c1[N+](=O)[O-]	807444897	LSCBCVQNWQTVBC-UHFFFAOYSA-N	313.676	1.727	50	20	DDGD	
CC(C)[C@@H]1OCCC[C@H]1CNC(=O)NNc1ncncc1F	292633814	JUVVJBYMWFQEBZ-JQWIXIFHSA-N	311.361	1.693	50	20	DDGD	
O=C(NNc1ccncn1)c1cccc(OC[C@@H]2CCCO2)c1	295509609	PIHDNAJIEBVLQU-AWEZNQCLSA-N	314.345	1.791	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CNC(=O)C(C)(C)C	299053016	SRTFNZYAPIBUGF-UHFFFAOYSA-N	306.366	1.310	50	20	DDGD	
O=C(CCCOc1ccc(F)cc1)NNC(=O)[C@H]1CCCCO1	295579803	OGFCXTSWHXRIFH-CQSZACIVSA-N	324.352	1.701	50	20	DDGD	
Cc1nc2c(C(=O)NNC(=O)[C@H]3CCCCO3)cccc2[nH]1	295798882	VMLTVYXICAKEDF-GFCCVEGCSA-N	302.334	1.201	50	20	DDGD	
COc1ccc2[nH]cc(CC(=O)NNC(=O)CC3CC3)c2c1	294180620	OHDQSBLLQXGQFI-UHFFFAOYSA-N	301.346	1.667	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C2(O)CCCC2)cc1OC	299235706	SYFUZRCUTRCBJH-UHFFFAOYSA-N	322.361	1.160	50	20	DDGD	
C=CCSCCNC(=O)NNC(=O)COc1ccc(C)cc1	299317664	LKOLQNISEKPXAW-UHFFFAOYSA-N	323.418	1.623	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)CNC(=O)c2ccco2)CC[C@H]1C	294559156	NGFLGXJXYTVMSH-GRYCIOLGSA-N	321.377	1.229	50	20	DDGD	
CC(C)COC(=O)N1CCC(C(=O)NNc2ccncn2)CC1	295560926	UUGKNOYNUOUXPA-UHFFFAOYSA-N	321.381	1.424	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CS(=O)(=O)C1CCCC1	808248228	GPFIRMJFXVTIGN-UHFFFAOYSA-N	302.223	1.606	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2COc3c(C)cccc3C2)nn1	291347331	VXPSCUXDRBFNJG-CYBMUJFWSA-N	313.361	1.723	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CC[C@@H](C)SC	807369077	QEAHKMUYYFHFRV-SNVBAGLBSA-N	306.428	1.455	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNC(=O)c1ccc(Cl)cc1O	806536470	KMIZHRBEOGJNHT-UHFFFAOYSA-N	321.720	1.028	50	20	DDGD	
CO[C@H]1CCC[C@H](C(=O)NNC(=S)Nc2ccccn2)C1	814413606	JTRFJFJHJRENPU-QWRGUYRKSA-N	308.407	1.604	50	20	DDGD	
O=C(NNC(=O)c1ccccc1NC(=O)C1CC1)c1ccc[nH]1	814796422	CIUJYSORFXOYJL-UHFFFAOYSA-N	312.329	1.438	50	20	DDGD	
CCc1cc(NC(=O)NNc2cc(Cl)nc(C)n2)nn1C	817327898	SWUCLLYASKLFBB-UHFFFAOYSA-N	309.761	1.883	50	20	DDGD	
Cn1cc2c(n1)CCCC2=NNC(=O)COc1ccccc1O	814952362	WODWIOHVGUBXSW-UHFFFAOYSA-N	314.345	1.361	50	20	DDGD	
CN(NC(=O)CCCC(=O)Nc1ccccc1C#N)C1CC1	819649152	IBCDONXDLYZYQY-UHFFFAOYSA-N	300.362	1.792	50	20	DDGD	
COCCOCCN(C)C(=O)[C@@H](Br)C(C)(C)C	813883610	AZUXSXXRJVKZOI-SNVBAGLBSA-N	310.232	1.917	50	20	DDGD	
COc1cc(C=NNC(=O)Cc2cc[nH]n2)ccc1OC(C)=O	814955829	ZMROOHRSRJKIDR-UHFFFAOYSA-N	316.317	1.036	50	20	DDGD	
Cn1cnc(C(=O)NNc2ccc(Br)cc2F)n1	810684161	RBDUHPPIQPVZHG-UHFFFAOYSA-N	314.118	1.474	50	20	DDGD	
CC1(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)CNC1	817938220	HABHUNNIFDHBDF-UHFFFAOYSA-N	307.741	1.443	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)c1)NOC/C=C/Cl	811978846	CAJOGIJBRCXUEA-GORDUTHDSA-N	304.133	1.968	50	20	DDGD	
Cc1ocnc1C(=O)NNC(=S)NCCc1cccs1	819432113	MWHBVFNMHHODPW-UHFFFAOYSA-N	310.404	1.396	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)co1	812730019	YWSLTQOQGUUWER-UHFFFAOYSA-N	323.374	1.595	50	20	DDGD	
Cn1ccc(CCC(=O)NNc2ncnc3ccsc23)n1	815827748	MNTIIQPKVCJIFZ-UHFFFAOYSA-N	302.363	1.501	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)[C@H]2CCCSC2)c1	810915843	USSHKYSHFVHZDU-JTQLQIEISA-N	314.432	1.676	50	20	DDGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)Cc1ncc[nH]1	816805151	PBSPIDCNGMHUQC-UHFFFAOYSA-N	324.793	1.545	50	20	DDGD	
CN(NC(=O)NCCc1cccc(C(N)=O)c1)c1ccccc1	726619972	FHARIACIZJMDGB-UHFFFAOYSA-N	312.373	1.679	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)NCCCCC#N	728944355	APIFEUBPAMTSPI-UHFFFAOYSA-N	320.349	1.098	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)C[C@@H]1CC[C@@H]2C[C@H]12	823179971	BQXHJTUANOJLIW-WOPDTQHZSA-N	304.346	1.355	50	20	DDGD	
CCOC(=O)Nc1scnc1C(=O)NNc1ccccn1	496352627	SUHIFIAFNPENPD-UHFFFAOYSA-N	307.335	1.863	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)Nc2cc(F)cc(F)c2)CO1	827617241	FCZOEXDDUNJOTF-CPCISQLKSA-N	314.292	1.478	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1cncc(F)c1	495836747	LCFLJOMSXAEQTE-UHFFFAOYSA-N	310.329	1.586	50	20	DDGD	
Cc1nc(C)c(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)s1	826079966	QZBHXWSRRLACDQ-SCZZXKLOSA-N	312.395	1.015	50	20	DDGD	
Cc1nc2c(s1)[C@@H](N(C)CC(=O)NNC(=O)C(C)C)CCC2	828299901	BRLBRSLUSIUMHF-LBPRGKRZSA-N	324.450	1.564	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccnc(C(=O)O)c2)o1	827144396	MVGXXEDUBKYWPF-UHFFFAOYSA-N	315.289	1.520	50	20	DDGD	
CCOCC(=O)NN=C(C)C[C@@H](C)NC(=O)OC(C)(C)C	494554133	JCHIQIWANGFIOU-SNVBAGLBSA-N	301.387	1.818	50	20	DDGD	
Cc1cccn2cc(CC(=O)NNC(=O)c3ccncc3)nc12	726765586	SSPPMZXIKJSZES-UHFFFAOYSA-N	309.329	1.041	50	20	DDGD	
CN1CCN(C(=O)/C(C#N)=C\c2cnn(C)c2)c2cccnc21	491101136	CXNQZJKKTHHNBE-JYRVWZFOSA-N	308.345	1.205	50	20	DDGD	
COC(=O)NCCC(=O)NNc1cccc(Br)n1	497131531	OBRAVTWDGANGNI-UHFFFAOYSA-N	317.143	1.033	50	20	DDGD	
CC(C)(COCc1ccccc1)C(=O)N1CC[C@H](B(O)O)C1	585064518	RHUHKQMTGVTOGV-AWEZNQCLSA-N	305.183	1.305	50	20	DDGD	
CCCCCOc1ccc(C(=O)N2CC[C@H](B(O)O)C2)cc1	585070632	BHSWGVDNAUPVEY-AWEZNQCLSA-N	305.183	1.945	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(C(=O)OC)c(C)cc1C	492202008	VCDNLEZOUPNROM-UHFFFAOYSA-N	309.322	1.873	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	823964520	AYKGYRIXFWFHTG-DZGCQCFKSA-N	323.412	1.382	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1	823885099	WFIFZHRSFSZSJW-GFCCVEGCSA-N	311.813	1.512	50	20	DDGD	
O=C(NCC1SCCS1)NNc1nc2ccccn2n1	823393280	ULFAOAWTBPRYMY-UHFFFAOYSA-N	310.408	1.162	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cc2ccccn2c1	826448635	DSXWYKCFSNBJBT-UHFFFAOYSA-N	319.328	1.876	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)cc1	822196097	WANCUILFXFAGQF-VNHYZAJKSA-N	313.357	1.521	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccccc1NCc1ccco1	823912406	FNMDGKSMJIPXJP-LBPRGKRZSA-N	303.362	1.849	50	20	DDGD	
OB(O)c1ccc(CN[C@@H](c2ccc(F)cc2F)C2CC2)cc1	585025714	ATXXAXHSCPYJPK-QGZVFWFLSA-N	317.144	1.886	50	20	DDGD	
Cc1cc(=NNC(=O)Cn2nc(C(F)F)cc2C2CC2)cc[nH]1	824863882	VHAFGUYTGPZHDS-UHFFFAOYSA-N	321.331	1.967	50	20	DDGD	
CN(C)CC(=O)NN=C1CCC[C@H]1CNC(=O)OC(C)(C)C	491680783	VHOKAUYOOHYNKR-NSHDSACASA-N	312.414	1.345	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNC(=O)c1ccc2ccccc2n1	491814304	JNKHTKNKERIRGA-ZDUSSCGKSA-N	310.357	1.981	50	20	DDGD	
COC[C@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)C(=O)OC	490845951	UIKAMEBZHRURTD-YLBKJLTLSA-N	306.293	1.037	50	20	DDGD	
CC(C)C[C@H](NC(=O)O)C(=O)NNC(=O)Cc1ccsc1	736417991	ZHKIMBKWLWNWDM-JTQLQIEISA-N	313.379	1.120	50	20	DDGD	
CCn1cc(S(=O)(=O)NN(C)C(=O)OC(C)(C)C)nc1C	496618630	RXALGYRADSQNGV-UHFFFAOYSA-N	318.399	1.272	50	20	DDGD	
CCOCC(=O)NN=Cc1cc(Br)ccc1O	731152408	GAWHDWNIMDSXGX-UHFFFAOYSA-N	301.140	1.641	50	20	DDGD	
C[C@]1(C(=O)NC2CCC3(CC2)OCCO3)C[C@H]1Br	906243091	KAFRXULHQOBAHZ-PWSUYJOCSA-N	318.211	1.962	50	20	DDGD	
OB(O)c1ccc(-c2noc(-c3ccnn3C3CCCC3)n2)cc1	585050608	DXAHWENXZLTXLD-UHFFFAOYSA-N	324.149	1.395	50	20	DDGD	
Cc1cc(C)n(-c2ccc(CNS(=O)(=O)CCl)cn2)n1	830049102	WVOVLKZGYLPOCS-UHFFFAOYSA-N	314.798	1.500	50	20	DDGD	
CCC1(C(=O)NNc2cccc(Br)n2)COC1	837211020	CMDQLNQEHUPIJT-UHFFFAOYSA-N	300.156	1.714	50	20	DDGD	
CC[C@H](O)[C@H](C)C(=O)NNC(=O)CSc1ccccc1O	901257725	HKLIVXBVKAYEQO-UWVGGRQHSA-N	312.391	1.039	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc2ccccc2o1	730576788	WGCVTYGLOBHGJO-GFCCVEGCSA-N	320.370	1.708	50	20	DDGD	
C=CCC(=NNC(=O)C(=O)N1CCCC1)c1ccc(F)cc1	735614390	WPOPJRXQHHFBFT-UHFFFAOYSA-N	303.337	1.845	50	20	DDGD	
CC(C)OC[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H]2Br)CCO1	907455676	JWWHFGBJFCOCGU-GVXVVHGQSA-N	320.227	1.812	50	20	DDGD	
CC[C@@H](OC)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	733108393	HCRSAPUWRAXJGC-CYBMUJFWSA-N	302.334	1.058	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	837393068	TVEKXLYHVQEINS-ZNMIVQPWSA-N	314.385	1.772	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1ccc2nc(O)oc2c1	734262350	GDTOGATXHSWRCR-UHFFFAOYSA-N	305.681	1.734	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCn2c(cnc2C(F)(F)F)C1	834319646	KTRDUCYMGPDJMI-HJWRWDBZSA-N	314.267	1.688	50	20	DDGD	
C=C(CBr)CN1C[C@@H](C(=O)OCC)C2(COC2)C1	830274397	LFTKHQAIGWWRFS-NSHDSACASA-N	318.211	1.449	50	20	DDGD	
COCCn1nc(C(=O)NNc2ccc(Cl)cc2)ccc1=O	732676361	JXHLFDSWDMMOTO-UHFFFAOYSA-N	322.752	1.300	50	20	DDGD	
COC(=O)c1cc(NNC(=O)Cc2c(C)noc2C)ccc1F	837034837	VMUGHIPYIMXRBW-UHFFFAOYSA-N	321.308	1.903	50	20	DDGD	
CCCN1C[C@H](C(=O)NNc2cc(Cl)nc(C)n2)CC1=O	839689711	FHQPFUQSMKSRAP-SECBINFHSA-N	311.773	1.140	50	20	DDGD	
CCS(=O)(=O)CC(C)=NNC(=O)COc1ccccc1F	733745084	BGVNQMVLHKNXDL-UHFFFAOYSA-N	316.354	1.131	50	20	DDGD	
O=C(CNc1ccccc1F)NN=C1C(=O)Nc2ccccc21	915919623	DJICXPXGYDEGIC-UHFFFAOYSA-N	312.304	1.710	50	20	DDGD	
C[C@@]1(C(=O)NC[C@@H](O)CN2CCCCC2)C[C@H]1Br	911271675	GWEMZRPKPWCLAI-NQBHXWOUSA-N	319.243	1.123	50	20	DDGD	
CN1CCN(C(=O)CCCC[C@@H]2CCSS2)[C@@H](CN)C1	834303856	QEBVIDXDLMITLV-QWHCGFSZSA-N	317.524	1.802	50	20	DDGD	
C=CC(C)(C)CNC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836593261	NVEKWSGMFGFBSW-UHFFFAOYSA-N	320.349	1.963	50	20	DDGD	
CC(C)OCCNC(=O)NNc1cccc(Br)n1	838551465	XXPYXOVSNHOXOW-UHFFFAOYSA-N	317.187	1.895	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)COc1ccccc1C(F)(F)F	910171548	XQNWBVZCHXMWGT-VIFPVBQESA-N	306.284	1.428	50	20	DDGD	
O=C(COc1ccccc1O)NN=C1CCCN2CCCC[C@H]12	848410129	JXZOLZMUZQTCAR-CQSZACIVSA-N	317.389	1.892	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CC(F)(F)C(F)(F)C1	841575846	RGQLKDSXVVCHHR-UHFFFAOYSA-N	319.258	1.936	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)N[C@@H]1CC[C@H]2CNC[C@H]2C1	842012749	AXTUJAOQOWIWMU-HBNTYKKESA-N	309.801	1.749	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2cccc(Br)c2)CN1	916981465	HMIXVHBMDYFATK-QMMMGPOBSA-N	312.167	1.418	50	20	DDGD	
CCn1ccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)n1	843517228	JMCDZADSIRWMIH-UHFFFAOYSA-N	316.405	1.880	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccccc1S(C)(=O)=O)n1ccnc1	845830953	SRPGHFPKQBTWAJ-NSHDSACASA-N	322.390	1.381	50	20	DDGD	
CC(C)Cn1nccc1C(=O)NNC(=O)c1ccccc1F	843517938	NEPYHZYXVVLVDH-UHFFFAOYSA-N	304.325	1.753	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(Cl)c2)CCN1	841984759	DIULERVTUIAPCR-CABZTGNLSA-N	310.785	1.425	50	20	DDGD	
CCOC(=O)C1(CNC(=O)NNC(=O)CC(C)(C)C)CCC1	741091427	KLLNBRVHECVNFA-UHFFFAOYSA-N	313.398	1.486	50	20	DDGD	
O=C(NNC(=O)c1ncccn1)N[C@H]1C[C@H]1C1CCCCC1	841582998	WPKPONZETOLVSR-RYUDHWBXSA-N	303.366	1.389	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCc1ccc(Cl)s1	843648091	VWAJLJLCFVFQMJ-PSASIEDQSA-N	316.810	1.907	50	20	DDGD	
Cc1cc(C)c(OCC(=O)NNC(=O)c2ncccn2)c(C)c1	841353914	HODNWYOUMMVLIU-UHFFFAOYSA-N	314.345	1.242	50	20	DDGD	
O=C(CCCn1cncn1)NNc1ccc(Cl)cc1[N+](=O)[O-]	918065862	FEDOPECVJBRMME-UHFFFAOYSA-N	324.728	1.763	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccc(/C=C\C(=O)OC)o1	848639587	WKJUTUVDARGACW-AZFXQDNWSA-N	305.286	1.562	50	20	DDGD	
O=C(NNC(=O)c1ncccn1)c1cccc([C@@H]2CCOC2)c1	841350892	UUAKUOLBJIWROG-CYBMUJFWSA-N	312.329	1.055	50	20	DDGD	
COc1ccnc(NNC(=O)Cc2ccc(-n3cccn3)cc2)n1	915639930	KZSXKGBFTYCTTM-UHFFFAOYSA-N	324.344	1.357	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@]2(C)CCCNC2)c1	841969485	CUWSECUORQJGOT-INIZCTEOSA-N	320.393	1.489	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)c2ccccc2F)cc1C1CC1	741880758	IEHAMGDNUQXEBE-UHFFFAOYSA-N	302.309	1.511	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)C[C@@H]2CCCO2)cc1	915638594	JUXUAHWYHMIGAY-ZDUSSCGKSA-N	323.418	1.972	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=S)Nc1ccc2c(c1)OCO2	843277352	OYNLTBRYMVGRLO-WPRPVWTQSA-N	323.374	1.158	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)C1	842247793	PHGXJGALNTVOJJ-SECBINFHSA-N	324.312	1.436	50	20	DDGD	
COc1ccc(NNC(=O)NCC[C@H]2C[C@H]3CC[C@H]2O3)nc1	841590168	PVBKGDFXKJRDGF-DMDPSCGWSA-N	306.366	1.674	50	20	DDGD	
CC(=O)Nc1cccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1C	843656381	MTSOGGZJSSTHGQ-GWCFXTLKSA-N	319.361	1.139	50	20	DDGD	
CC(Cc1ccccc1C)=NNC(=O)N[C@H]1CCS(=O)(=O)C1	743435938	OLFFJWFJXLASPU-AWEZNQCLSA-N	323.418	1.400	50	20	DDGD	
CC1(C)CC[C@H]1NCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	846954908	CKMXZPNKYAETFB-GFCCVEGCSA-N	320.349	1.134	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)Cc1ccc(OC)nc1	841624673	FKBOKKYPJVPDEU-UHFFFAOYSA-N	320.393	1.430	50	20	DDGD	
C[C@H]1c2ccsc2CCN1CC(=O)NNC(=O)C(C)(C)C	744385519	PMQGFXRJXKALKV-JTQLQIEISA-N	309.435	1.861	50	20	DDGD	
CC(C)c1cccc(OCC(=O)NNC(=O)c2ncccn2)c1	841354345	NNPPGQTZSNGLED-UHFFFAOYSA-N	314.345	1.440	50	20	DDGD	
C[C@@]1(C(=O)NNc2ncc(Br)cn2)CCOC1	848321998	NKJLAUCOAYDEPD-SNVBAGLBSA-N	301.144	1.109	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)NC(=O)CC1CCCCC1	749842864	LHSLSNYEMZQECL-GFCCVEGCSA-N	311.426	1.655	50	20	DDGD	
CCc1csc(NC(=O)NNC(=O)Cn2nc(C)cc2C)n1	756813493	DODFOTJLCQZVIR-UHFFFAOYSA-N	322.394	1.372	50	20	DDGD	
Cc1csc(CCCC(=O)NNC(=O)C2CCOCC2)n1	923059880	PBFNUQUESVIEPZ-UHFFFAOYSA-N	311.407	1.348	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccccc1NC(C)=O	755762025	LPHZDHGWLHZYJR-NSHDSACASA-N	307.350	1.147	50	20	DDGD	
COC(=O)N1CCC(=NNC(=O)c2cccc(Cl)n2)CC1	853411165	GSGQEQRCHFSIFU-UHFFFAOYSA-N	310.741	1.683	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(NC(=O)C2CC2)ccc1C	755898631	PSKZHIPFEQGLAI-UHFFFAOYSA-N	304.350	1.906	50	20	DDGD	
CC1(C)C(=NNC(=O)CNC(=O)c2cccnc2)[C@H]2CCC[C@H]21	853317751	HVEVBXUYMVGIPR-QWHCGFSZSA-N	314.389	1.740	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)OCC(F)(F)F)cc1C1CC1	856021364	MKWQNPOHNVGRQL-UHFFFAOYSA-N	306.244	1.231	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(F)cc1OC(C)(C)C	757798993	RBHLHTMIMSIQDI-UHFFFAOYSA-N	313.329	1.802	50	20	DDGD	
C[C@]1(CNC(=O)NNc2ccc(Cl)cc2F)CCC(=O)N1	922804929	HGXNCIONTZRSAF-CYBMUJFWSA-N	314.748	1.774	50	20	DDGD	
COc1nc(Cl)c(C=NNC(=O)Cc2ccncc2)s1	755755811	OWLQOFLFIZOTPG-UHFFFAOYSA-N	310.766	1.893	50	20	DDGD	
CC1CC(CNC(=O)NNC(=O)COc2ccc(F)cc2)C1	856961951	YIGMJIZAFAMBCV-UHFFFAOYSA-N	309.341	1.581	50	20	DDGD	
CCCCN(C)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	852590439	NRZZOZSMAGASOX-UHFFFAOYSA-N	314.430	1.402	50	20	DDGD	
Cc1ccnc(NNC(=O)c2cn(C)nc2-c2cccnc2)c1	755854096	NTPWZWCCWVPXFO-UHFFFAOYSA-N	308.345	1.942	50	20	DDGD	
CC(C)C1(O)CN(C(=O)NC[C@]2(C)C[C@H]2Br)C1	856959111	QXIQDMNKPKOHMX-KOLCDFICSA-N	305.216	1.572	50	20	DDGD	
Cc1nc2c(C(=O)NNC(=S)N[C@@H](C)C3CC3)ccnc2[nH]1	855097351	OKOONTWOOPSJSO-ZETCQYMHSA-N	318.406	1.174	50	20	DDGD	
COCc1ccccc1C(=O)NNC(=O)OCC(F)(F)F	856024835	CZDASYNKCKHANP-UHFFFAOYSA-N	306.240	1.766	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNc2cc(F)ccc2C)c(O)n1	855366783	HJWMUVWMKFBDHJ-UHFFFAOYSA-N	304.325	1.932	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cc[nH]n1	855359237	KULMMXHFUFFSCT-SFYZADRCSA-N	304.272	1.539	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)Cc1ccc(C(N)=O)cc1	754312097	RKBYOYJSYPFIHF-UHFFFAOYSA-N	301.321	1.919	50	20	DDGD	
CC(C)(C)c1csc(NC(=O)NNC(=O)c2cc[nH]n2)n1	853822826	UYDKZMGHTHPHMM-UHFFFAOYSA-N	308.367	1.630	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1cnc2n1CCCCC2	857126348	AVMISBIZFJPTNW-UHFFFAOYSA-N	306.757	1.810	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)c1cn[nH]c1)Cc1cccs1	858249621	XOMGNZHKZSQKOP-VIFPVBQESA-N	307.379	1.294	50	20	DDGD	
O=C(NC[C@@H]1CCCCC(F)(F)C1)NNC(=O)c1cn[nH]c1	858482792	WJVWJHRJNFPHKW-SECBINFHSA-N	315.324	1.569	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@H]32)n1	858148640	FSBWSPWUBIOOPM-DJIMGWMZSA-N	324.384	1.233	50	20	DDGD	
CCCCNC(=O)COC(=O)/C(C#N)=C/c1ccc(O)cc1	750662444	KKJAQUSYPABAGR-UKTHLTGXSA-N	302.330	1.759	50	20	DDGD	
N#C[C@@]1(C(=O)NNC(=S)NCC2CCC2)CC12CCCC2	855087078	DNWJQAZFJCURRG-OAHLLOKOSA-N	306.435	1.756	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NN=Cc1ccncc1	853375215	GJRRGEOQTNAOHL-UKRRQHHQSA-N	313.361	1.433	50	20	DDGD	
C[C@H](C(=O)N(C)NC(=O)OCc1ccccc1)c1cnn(C)c1	862287405	NNPQVYNKVGAVHA-LBPRGKRZSA-N	316.361	1.823	50	20	DDGD	
COc1nc(N(C)C)sc1C=NNC(=O)c1cccn1C	767232789	RSQRBXZQWFBVJQ-UHFFFAOYSA-N	307.379	1.320	50	20	DDGD	
CCO[C@@H](C)c1ncc(C(=O)NNC(=O)c2cn[nH]c2)s1	862472422	ZKPREDAABWPIEF-ZETCQYMHSA-N	309.351	1.039	50	20	DDGD	
OB(O)c1cccc(-c2noc(C3SCCCS3)n2)c1	863892553	ACGQDTGDWYBXDL-UHFFFAOYSA-N	308.193	1.285	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)Nc1cccnn1	763974994	CSNQMPGJOQFYDR-UHFFFAOYSA-N	319.346	1.127	50	20	DDGD	
Cc1cc(F)cc(C(=O)NNc2ncc(F)cn2)c1[N+](=O)[O-]	762095434	CBUAXJONTVEWHT-UHFFFAOYSA-N	309.232	1.728	50	20	DDGD	
Cc1cc(NNC(=O)c2c(C)nn(CC(F)F)c2C)nc(C)n1	761072390	IROFRVOGHUEAQJ-UHFFFAOYSA-N	324.335	1.929	50	20	DDGD	
C[C@@]1(CNC(=O)c2nc(C3CC3)no2)C[C@@H]1Br	866024891	XZENMBGGLXWTGG-CPCISQLKSA-N	300.156	1.850	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1cc(F)ccc1O	769618439	XQWSNGPVPWHAMW-UHFFFAOYSA-N	322.267	1.510	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CNc1ccc(C#N)cn1	765469653	XBLVGZDVJDOMSA-UHFFFAOYSA-N	309.329	1.135	50	20	DDGD	
O=C(NNC(=O)c1ccnn1CC1CCC1)c1cccc(F)n1	869313670	KOWWPWWUWVDHSB-UHFFFAOYSA-N	317.324	1.292	50	20	DDGD	
COC(=O)CCCC(=O)NNC(=O)c1ccc2ccccc2c1	764450697	UGHMYATWQHJIEM-UHFFFAOYSA-N	314.341	1.944	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)OC[C@H]2COC(=O)O2)cc(C#N)n1C	763911189	SNQOFSSNSJZXBF-TWXILYBASA-N	315.285	1.191	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H]1CCCC[C@H]1C(N)=O	866919394	JDOVWJJEIFKLFN-NXEZZACHSA-N	310.847	1.215	50	20	DDGD	
O=C(c1cccc(Oc2nccs2)c1)N1CC[C@H](B(O)O)C1	864230948	HGUPAUNXISCMJV-NSHDSACASA-N	318.163	1.624	50	20	DDGD	
Cc1c(NNC(=O)c2cnn3ncccc23)cccc1[N+](=O)[O-]	765465503	RHHDPGDLYAGKRC-UHFFFAOYSA-N	312.289	1.703	50	20	DDGD	
O=C(NCCOCC(F)(F)C(F)F)NNc1ccccn1	764838756	LAWVQVOIHVCLTA-UHFFFAOYSA-N	310.251	1.625	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cccc(-n2cccc2)c1	765407462	LYHJPSWODJWLGK-UHFFFAOYSA-N	316.317	1.193	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@@H]1CC[C@H]2SCCS[C@H]12	762627168	HHKGCEXQOISXAO-GMTAPVOTSA-N	315.464	1.497	50	20	DDGD	
CN(N=Cc1nc(N(C)C)n(-c2ccccc2)c1Cl)C(N)=O	767907221	GRYWSTKIPOSRSX-UHFFFAOYSA-N	320.784	1.936	50	20	DDGD	
CCCNC(=O)NNC(=O)CCC(=O)c1ccc(Cl)cn1	768983331	IHXJOCPVSCDVPZ-UHFFFAOYSA-N	312.757	1.438	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CC[C@@H]2CCCO2)c1	874950562	SOKFHHHFSSBSGB-AWEZNQCLSA-N	317.414	1.945	50	20	DDGD	
CC[C@@H](NNC(=O)c1cn[nH]c1)C(=O)Nc1ccc(C)cc1	871896953	OUBHJHMLFIQRHN-CYBMUJFWSA-N	301.350	1.370	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNC(=S)Nc1ccccn1	1119111099	JXWWOGFDOSTZKS-UHFFFAOYSA-N	305.363	1.247	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cc([N+](=O)[O-])ccc1O	772889275	LMMUHBUATLUFGH-UHFFFAOYSA-N	317.305	1.971	50	20	DDGD	
O=C(CO)NN=Cc1ccc2ccc(Br)cc2n1	776777229	MNNKFDJPOPUBKC-UHFFFAOYSA-N	308.135	1.440	50	20	DDGD	
CC[C@@H](Cc1cccc(C)c1)C(=O)NNC(=O)Cc1cc[nH]n1	874437089	DZIQOKJYQRUGNS-AWEZNQCLSA-N	314.389	1.677	50	20	DDGD	
COc1ccc(OC)c(NC(=O)NNc2nccc(OC)n2)c1	775427650	FXOZNDFSPVIQSJ-UHFFFAOYSA-N	319.321	1.651	50	20	DDGD	
CCC[C@@H](C)NC(=O)NNC(=O)CNC(=O)OC(C)(C)C	778589057	JRZXGGZQPHSVJV-SECBINFHSA-N	302.375	1.030	50	20	DDGD	
C[C@H](C(=O)NCCCSC#N)n1nnc(-c2ccccc2)n1	773586054	QQGQCCSRHMQZEZ-LLVKDONJSA-N	316.390	1.622	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)COCCOC)[C@@H](C)C1	872401491	XGBWBWFWZBSDKG-RYUDHWBXSA-N	314.382	1.121	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cnc(O)c([N+](=O)[O-])c2)n1	770534191	ZEWWSQUNGDPBMM-UHFFFAOYSA-N	324.684	1.204	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H](C)C(F)(F)F)cc1	1118105080	QCCQJXTYGTXUFE-ZETCQYMHSA-N	305.256	1.590	50	20	DDGD	
CCOC1(C(=O)NNC(=O)c2ccc(C)c(O)c2)CCCC1	882051485	SHMAWWPXWFHWIX-UHFFFAOYSA-N	306.362	1.811	50	20	DDGD	
CC(C)c1nc2cc(NC(=O)NNC(=O)CN(C)C)ccc2o1	775626631	YOUZUSFZVPDNQJ-UHFFFAOYSA-N	319.365	1.666	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cccc(-c2nnc(C)o2)c1	887144394	LOQOMBZBMUTDJF-UHFFFAOYSA-N	312.329	1.610	50	20	DDGD	
C[C@H]1COCCCN1C(=O)NNC(=O)COCc1ccccc1	773021683	DVSIRCNMJSTRCF-ZDUSSCGKSA-N	321.377	1.055	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@H]1c1ccccc1)c1cccnn1	883850227	SPOUONUQBBLUNF-AWEZNQCLSA-N	311.345	1.668	50	20	DDGD	
CC[C@@H](C)[C@H](NC(=O)NNC(=O)Cc1cc[nH]n1)C(F)(F)F	772537480	MEVGGZHWMMTPRS-XCBNKYQSSA-N	321.303	1.260	50	20	DDGD	
CC1(C)C[C@@H](CNC(=O)NNc2ccc(C#N)cn2)CCO1	889212299	FGSJNRQNKDJDIT-NSHDSACASA-N	303.366	1.785	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCCn2ccnc2C)cc1O	882048220	INFOLJWOJRIZQT-UHFFFAOYSA-N	316.361	1.447	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cccc(OCC(F)(F)F)c1	770167838	TVBUQWTUKUGWGG-UHFFFAOYSA-N	319.283	1.982	50	20	DDGD	
CC(C)C1CCC(CNC(=O)NNC(=O)c2cccnn2)CC1	883538272	QPNUJZWZUAXTFR-UHFFFAOYSA-N	319.409	1.883	50	20	DDGD	
CCCCc1ccc(C(=O)NNC(=O)CN2CCCC2=O)cc1	789858413	ZLZYTFUFYKXCEN-UHFFFAOYSA-N	317.389	1.413	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(OCC=C)c(OC)c1	887140906	XNYZXEYZLIAJEI-UHFFFAOYSA-N	316.357	1.825	50	20	DDGD	
CC(C)CN1C[C@H](C(=O)NNc2ncncc2Cl)CC1=O	781830364	PAMMWAAZRGBBOK-SECBINFHSA-N	311.773	1.078	50	20	DDGD	
C[C@@H]([C@H](C)C(=O)NNc1ccc(Cl)cc1F)S(C)(=O)=O	885106668	FDDHOFGPKDMHBY-YUMQZZPRSA-N	322.789	1.991	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCCNS(=O)(=O)c1ccccc1	786665978	KINNOMNSNGJXDW-JLHYYAGUSA-N	320.370	1.368	50	20	DDGD	
Cc1ccc(Cl)cc1NC(=O)C(=O)NNc1ncc(F)cn1	784949662	HJUIGGAWJVJADW-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
O=C(NN=C1CCCOc2cc(F)ccc21)C(=O)N1CCCC1	781591400	FNDJVXYVCSBAJU-UHFFFAOYSA-N	319.336	1.441	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H](C)Cc1ccc(OC)c(OC)c1	781309845	KIYSYMFOYJSESD-JTQLQIEISA-N	309.366	1.233	50	20	DDGD	
O=C(COC(=O)/C=C/c1ccc[nH]1)NNC(=O)c1ccccc1	782332959	QJYSULRSRYPEQD-CMDGGOBGSA-N	313.313	1.032	50	20	DDGD	
N#CCCN(CCC#N)C(=O)COC(=O)/C(C#N)=C/C1CC1	786680409	JNSOYPROTQDETE-UKTHLTGXSA-N	300.318	1.046	50	20	DDGD	
CC1(C)NC(=O)N(CCCOC(=O)/C(C#N)=C\C2CC2)C1=O	786676803	UXWHZFQIOCXHCY-FLIBITNWSA-N	305.334	1.110	50	20	DDGD	
COCc1ncsc1C(=O)NNC(=O)c1ccc(C#N)cc1	786017596	VRCQROHGOLSWJZ-UHFFFAOYSA-N	316.342	1.236	50	20	DDGD	
CCn1cccc(CNC(=O)NNc2ncncc2Cl)c1=O	789841651	LXRCNKAYRGMKQO-UHFFFAOYSA-N	322.756	1.138	50	20	DDGD	
CCCNC(=O)NN=C(C)c1ccccc1OCC(=O)OC	783838067	USWZFGBYXYZLMU-UHFFFAOYSA-N	307.350	1.672	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(F)c1	783513587	CKJNLPMGDMLXQO-NSHDSACASA-N	312.366	1.491	50	20	DDGD	
CCNC(=O)NNC(=O)c1nc(Br)ccc1C	786827391	MIIGZONMBZNHMW-UHFFFAOYSA-N	301.144	1.116	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc(S(C)(=O)=O)cc1	786042983	OQLMRAAOEPAEAN-LCYFTJDESA-N	313.400	1.779	50	20	DDGD	
CC(C)(C)c1nsc(NC(=O)C(=O)NNc2ccccc2)n1	784764906	HAEOSSSOYHNVHK-UHFFFAOYSA-N	319.390	1.917	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCCN2CCC[C@@H]2C1	1330366520	PVNJNPPFYQTTKM-GFCCVEGCSA-N	308.875	1.751	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H](C)n1nnc(-c2ccccc2)n1	791225637	PPIMMFUZMLLOOO-GFCCVEGCSA-N	323.360	1.748	50	20	DDGD	
C[C@@H]1CCc2[nH]nc(C(=O)NNC(=S)NC(C)(C)C)c2C1	899993572	ZDAPGJMFARMYRD-MRVPVSSYSA-N	309.439	1.442	50	20	DDGD	
CC[C@@](C)(OC)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	796395293	CIYXGZBWYIXXHH-MRXNPFEDSA-N	322.361	1.114	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(O)nc2cc(F)ccc12	798305965	NZYYHFAQAPEDRF-UHFFFAOYSA-N	320.349	1.374	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl	792907662	UJQNGSZMXYPWLJ-AUTRQRHGSA-N	322.236	1.448	50	20	DDGD	
Cc1cc(CC(=O)NN=C2CC[C@@H](C)C[C@H]2n2cncn2)n[nH]1	794489777	DABCYTIYYVPNPO-QMTHXVAHSA-N	315.381	1.386	50	20	DDGD	
COc1cc(NNC(=O)[C@H]2CCN(C)C(=O)C2)ccc1Cl	790188603	IJOPSBKWCCGCOO-VIFPVBQESA-N	311.769	1.660	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)c2n[nH]c3c2CCCC3)o1	1317851051	MGRHIGSZJUQFOG-UHFFFAOYSA-N	316.317	1.432	50	20	DDGD	
CC(=NNC(=O)CCO)c1cc(Br)c(F)cc1O	1319960111	KUYPLZYNJLYFSL-UHFFFAOYSA-N	319.130	1.516	50	20	DDGD	
Cc1cc(C(=O)NNc2nncc(N)c2Cl)c2n[nH]cc2c1	1322656532	VEIYBOWDCMMRBX-UHFFFAOYSA-N	317.740	1.654	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)C	1327325897	AUHYBQVOKLYJNU-UHFFFAOYSA-N	322.365	1.476	50	20	DDGD	
COc1cc(F)cc(NC(=O)C(=O)NNc2cc(C)ncn2)c1	1320561922	MIIVHFQXYJMGGV-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@]2(F)CCOC2)c(F)c1	1324951240	VZFZRAVVSDOWPR-CYBMUJFWSA-N	300.261	1.184	50	20	DDGD	
CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)c1ccc(OC)cc1	1321462052	IYXMTKQGHNYGHL-NSHDSACASA-N	307.394	1.623	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CCCC[C@H]2N(C)C)c1	1328783623	POVBNMYXIIOIOJ-VXGBXAGGSA-N	324.450	1.873	50	20	DDGD	
Cc1cc(NNC(=O)c2c[nH]c(Br)c2)nc(C)n1	1328926763	ZOYZDYKVIRTBLA-UHFFFAOYSA-N	310.155	1.941	50	20	DDGD	
O=S(=O)(CCCCl)NCc1n[nH]cc1Br	718159981	QTQOJFIBXGJRPF-UHFFFAOYSA-N	316.608	1.221	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@H]2CCC[C@@H]2OC)cc1	1335959089	CFDYKROMPJYJRB-GJZGRUSLSA-N	320.389	1.590	50	20	DDGD	
Cc1cc(C(=O)NNc2cncc(Br)c2)n(C)n1	1335990278	XILHYTLVPKOXEX-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
CN(C)c1cnc(C(=O)OC[C@]2(C)C[C@@H]2Br)cn1	1348963103	YVKYNZXZLRRBRV-CABZTGNLSA-N	314.183	1.873	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H](C)CC(=O)OC(C)(C)C)n1	1342008910	LCDMDGQWTIXBKI-JTQLQIEISA-N	324.381	1.837	50	20	DDGD	
CC(C)c1nnsc1C(=O)NNC(=O)c1cccc(F)n1	1347203344	YVSJAFKJOONSBS-UHFFFAOYSA-N	309.326	1.270	50	20	DDGD	
Cn1c(NNC(=O)C2(C(C)(F)F)CC2)nc2ccccc2c1=O	1261691466	PJZNPKWPUDKPHZ-UHFFFAOYSA-N	322.315	1.812	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC[C@H]2C[C@H]3C=C[C@H]2C3)n1	1262379712	JNKXIFHSCURHJL-MELADBBJSA-N	317.393	1.043	50	20	DDGD	
CCn1cc(Br)c(C(=O)NCCCSC#N)n1	1349809745	GONSFBAGUMXGJL-UHFFFAOYSA-N	317.212	2.000	50	20	DDGD	
Cn1ccc(NNC(=O)c2cccnc2OCC(F)(F)F)n1	1344049899	TXYAPRYTXMKOOV-UHFFFAOYSA-N	315.255	1.513	50	20	DDGD	
O=C(O)[C@@H]1C[C@H]1c1ccc(NCc2cccc(B(O)O)c2)cc1	1602201253	SSSDJBQQNBXBOC-JKSUJKDBSA-N	311.146	1.167	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@H](O)c2cccnc2)c1F	1602446613	CHGHRKHIOXYUQT-GFCCVEGCSA-N	305.265	1.096	50	20	DDGD	
C#C[C@H](NC(=O)NNc1cccc(C(=O)O)c1F)[C@@H]1CCCO1	1602674291	ONKOVHXHBBXQQS-JQWIXIFHSA-N	321.308	1.331	50	20	DDGD	
O=C(O)[C@@H](Cc1cc2ccccc2o1)NS(=O)(=O)CCl	1601659412	YYPYIABRHXHEER-SNVBAGLBSA-N	317.750	1.544	50	20	DDGD	
O=C(O)C[C@H](CNC(=O)NNC(=O)CCc1ccco1)C1CC1	1601891792	LNXSAQCYHWRSBB-LLVKDONJSA-N	323.349	1.044	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)Nc1ccc(C(=O)O)nc1	1601561891	GSLSZFNGORWZBW-UHFFFAOYSA-N	324.300	1.872	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)cc1Cl	1549322047	WYDOLDYSJJACKZ-DZGCQCFKSA-N	321.808	1.962	50	20	DDGD	
CCCO[C@@H](C(=O)NNC(=O)CCN)c1ccc(F)cc1C	1577577428	QGNJJJLRNOXWAS-CQSZACIVSA-N	311.357	1.098	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H]2C[C@@H](N)[C@@H]3C[C@H]23)c1	1579672686	LORZPUUZFIXPBM-QNWHQSFQSA-N	318.446	1.604	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H](N)CCCCC#N	1578850323	DQWJLDLNXFBEQJ-NSHDSACASA-N	322.340	1.467	50	20	DDGD	
O=C(CNC[C@H]1CCCO1)NNc1cc(F)cc(F)c1F	1580556654	PDPWODYABKZOSD-SECBINFHSA-N	303.284	1.316	50	20	DDGD	
CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1coc(C)n1	1588776609	WXSANCHNVYINSX-UHFFFAOYSA-N	311.305	1.317	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)C(C)C	1847631495	YYCVTAXXYQEIEM-MROQNXINSA-N	316.829	1.223	50	20	DDGD	
Br[C@H]1[C@@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]12	1588316228	ONTOPZOIAUNGNB-MBTKJCJQSA-N	307.155	1.091	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)C(F)F)C1	1842665252	LNHGEOZCHMLVGH-VIFPVBQESA-N	308.756	1.862	50	20	DDGD	
CCO/C=C/C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1846501093	NAIQHSWAHPXRGX-TZOMUSMUSA-N	304.749	1.274	50	20	DDGD	
COc1cc(NC(=O)NNc2ccc(F)c(C(=O)O)c2)n(C)n1	1599439253	DTCDDRZKOAXVKO-UHFFFAOYSA-N	323.284	1.415	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@H]1CCOC[C@@H]1C	1599375975	KAWWVQPTCPYMSE-ONGXEEELSA-N	308.334	1.509	50	20	DDGD	
COCn1ccc(C(=O)NNc2ccc(C)c(C(=O)O)c2)n1	1599308458	OEDUPKQFLJWBOW-UHFFFAOYSA-N	304.306	1.251	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](C(=O)O)c1ccc(OC)c(O)c1	1596862106	MZGSZGADZSRQPO-AORWBKJGSA-N	320.301	1.087	50	20	DDGD	
C#Cc1cccc(C=NNC(=O)Nc2ccc(C(=O)O)cc2)n1	1776046192	FGLVNJUGNGCYIN-UHFFFAOYSA-N	308.297	1.917	50	20	DDGD	
O=C(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Cl)C2)C1CC1	1793021637	SZZPMXRIFMXBIJ-WYFGTUCQSA-N	316.760	1.138	50	20	DDGD	
COC[C@@H](C)OC(=O)/C(C#N)=C/c1ccccc1OCC(=O)O	13264685	WOVWPJOBKZRRDE-ZTFCMROMSA-N	319.313	1.635	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cnn(-c2ccccc2)n1	15631668	AUKIDFYIAWBZJD-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
Cn1cnc(-c2cccc(NC(=O)NNC(=O)C(C)(C)C)c2)n1	162282294	SQPKFRQFPGUZFS-UHFFFAOYSA-N	316.365	1.681	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(CCS(C)(=O)=O)cc1	160205278	JYHULOAHRIBSIO-ACCUITESSA-N	322.386	1.656	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc([N+](=O)[O-])o2)c([N+](=O)[O-])c1	160858356	NIZTWPWATVYKSW-UHFFFAOYSA-N	322.233	1.862	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1cccc([N+](=O)[O-])c1C	152928755	XROKQVIOMZOQPS-UHFFFAOYSA-N	308.363	1.127	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(OC(F)F)cc2)[nH]n1	153314727	JTOJOHHXKUHYEC-UHFFFAOYSA-N	310.260	1.394	50	20	DDGD	
O=C(Cc1cc(F)ccc1F)NNc1ncccc1[N+](=O)[O-]	153441684	GMNUPTYKEZVZIJ-UHFFFAOYSA-N	308.244	1.954	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@@](C)(O)c1ccc(F)cc1F	159753587	AEVMZZFMXADXOG-WKTRQSJXSA-N	310.300	1.732	50	20	DDGD	
N#C/C(=C/c1csnn1)C(=O)Nc1ccc2c(c1)OCCO2	207750365	FCVWDQDYHFMMSI-UITAMQMPSA-N	314.326	1.855	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C/c1ccc(OCC(=O)O)cc1	6605605	FFMGMHDQSJEILG-UKTHLTGXSA-N	302.330	1.973	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccccc1)Cc1ccccc1F	7910682	PLOAQHOLBYZDHC-UHFFFAOYSA-N	315.348	1.719	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)Cc1cn2ccccc2n1	104637921	SHMORGCYZIZHOP-UHFFFAOYSA-N	315.358	1.103	50	20	DDGD	
Cc1nn(C)cc1C(=O)NNc1nc(C(F)(F)F)cs1	176828639	OQGOTTIMRBOYMN-UHFFFAOYSA-N	305.285	1.961	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@H](C)c2cccc(F)c2)n1	172942568	BUCDRIOHJNIXJI-GFCCVEGCSA-N	318.352	1.590	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNC(=O)NCc1ccccc1	25110381	VBQZZXRGCDGROA-UHFFFAOYSA-N	324.340	1.468	50	20	DDGD	
CC(=O)N[C@H](CC(=O)NNC(=O)NC(C)C)c1ccc(C)cc1	68809785	MDALZHGZSGDLNS-CQSZACIVSA-N	320.393	1.301	50	20	DDGD	
O=C(NCCCOC1CCCC1)NNC(=O)c1ccccc1	64242193	SRPAOCRUEXFOSM-UHFFFAOYSA-N	305.378	1.980	50	20	DDGD	
CC(=O)NNC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1	301218119	LGLKNNNHMOJFFX-UHFFFAOYSA-N	301.302	1.621	50	20	DDGD	
CCC(=O)N1CCC[C@@H](C(=O)NNc2ncccc2Cl)C1	114884177	UADDAWNPTKILRI-SNVBAGLBSA-N	310.785	1.827	50	20	DDGD	
O=C(Cc1ccc(-n2cccc2)cc1)NNC(=O)NCC1CC1	65192153	NXSXESYLDQDVPX-UHFFFAOYSA-N	312.373	1.760	50	20	DDGD	
O=C(NCCOC1CCCCCC1)NNC(=O)c1ccc[nH]1	118586475	OVHQHNDFNMLJLX-UHFFFAOYSA-N	308.382	1.698	50	20	DDGD	
C[C@]1(c2ccccc2)CCCN(CC(=O)NNC(=O)C2CC2)C1	113264679	JTWRDKQWGOBPFQ-SFHVURJKSA-N	315.417	1.598	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccc(C(N)=O)cc2)o1	176857994	UTPUUMNJGNUMNE-UHFFFAOYSA-N	302.290	1.153	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CCCC(C)(C)C1	178951089	RYVDSDJEVIQQLJ-NSHDSACASA-N	311.426	1.655	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NNc1ccc(Cl)nn1	172441646	XKVJWNPLRQKUMP-OQPBUACISA-N	320.736	1.802	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC2CC2)c2ccc(F)cc2n1	64427710	KYKDSFFJHWOVAI-UHFFFAOYSA-N	302.309	1.789	50	20	DDGD	
COCCC1(CNC(=O)NNC(=O)c2ccc[nH]2)CCCCC1	186304028	YVRICVKSHAYMCU-UHFFFAOYSA-N	322.409	1.946	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NNC(=O)c1ccccc1	188040169	HFWOBRNABQPSSV-GXDHUFHOSA-N	307.309	1.760	50	20	DDGD	
CN1CCO[C@H](C(=O)NNc2cc(C(F)(F)F)ccc2F)C1	128749649	QHHKBKIDIIGCEG-NSHDSACASA-N	321.274	1.618	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCc1ccc(NC(C)=O)cc1	178964666	QBFRSEOXDITSFS-SDNWHVSQSA-N	301.346	1.748	50	20	DDGD	
CS[C@@H](C)CC(=O)NNc1nc2ccccc2c(=O)n1C	121144613	MGDQBQNYEHLAMS-VIFPVBQESA-N	306.391	1.518	50	20	DDGD	
CCN(CC)[C@H](C(=O)NNC(=O)NC1CC1)c1ccccc1	67270181	GBHYWWIPTDWIGL-AWEZNQCLSA-N	304.394	1.562	50	20	DDGD	
CCNC(=O)c1ccc(C)c(NC(=O)NNC(=O)[C@H](C)CC)c1	183922147	ZWCGTGXJOWWQGY-SNVBAGLBSA-N	320.393	1.944	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C1CCN(C)CC1	72798285	KRJPBXWXBWWYEA-LLVKDONJSA-N	323.368	1.082	50	20	DDGD	
CC1(C)C[C@@H](NCC(=O)NNC(=O)c2ccccc2)C(C)(C)O1	189228291	QKUBTILCUYVRFG-CYBMUJFWSA-N	319.405	1.383	50	20	DDGD	
Cc1cc(F)ccc1-n1ccc(C(=O)NNc2ncccn2)n1	180635038	OEOXNMDJIRSJPG-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
C=CCNc1ncc(C(=O)NNC(=O)Cc2cccnc2)s1	128664459	CAFJUFQUBBMGNT-UHFFFAOYSA-N	317.374	1.140	50	20	DDGD	
COC(=O)[C@H]1CCCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	185808442	KUFHONVBDBZCCC-VSKPTYQZSA-N	314.341	1.853	50	20	DDGD	
CC(C)n1nccc1NC(=O)C(=O)NNc1ccc(F)cc1	181355703	LEFMMJUQNNQAME-UHFFFAOYSA-N	305.313	1.685	50	20	DDGD	
O=C(NNC(=O)c1cc(OCC(F)F)ccn1)c1ccccc1	182148140	NKEFJYIZIBBSRH-UHFFFAOYSA-N	321.283	1.800	50	20	DDGD	
CCCc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)CC)cc1	124800735	MQRKNDDACNNUEH-LLVKDONJSA-N	305.378	1.771	50	20	DDGD	
Cc1ccc2c(CC(=O)NNC(=O)Cc3ccncc3)c[nH]c2c1	81017157	CUFNWUOLZOIOFQ-UHFFFAOYSA-N	322.368	1.804	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1	194937339	FZJSGHVWHQGBSV-ZDUSSCGKSA-N	322.384	1.340	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccoc1Br	194008118	HWVUNLDALUCGFL-UHFFFAOYSA-N	313.111	1.598	50	20	DDGD	
CC(C)(O)C(=O)NNc1c(F)cc(F)cc1Br	191826977	YEOFVRRXUUUNCE-UHFFFAOYSA-N	309.110	1.941	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c1	132723957	UPUBKEJEUOJOPB-OAHLLOKOSA-N	307.309	1.323	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)C[C@@H]2CCCCO2)cc1	88280171	FHCBCPCIEIYYPM-AWEZNQCLSA-N	320.393	1.865	50	20	DDGD	
O=C(COC1CCCC1)NNC(=O)c1ccc2ccccc2n1	44819389	XZFZONXXBVTRSN-UHFFFAOYSA-N	313.357	1.955	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccccc1-n1ccnn1	191930763	SEPHNIOEMZYGPU-UHFFFAOYSA-N	320.316	1.067	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)Nc2ccccn2)c1	48348704	NNUFJNJJHKGWDU-UHFFFAOYSA-N	314.345	1.930	50	20	DDGD	
O=C(NC[C@H]1CCCOC1)NNC(=O)c1c[nH]c2ccccc12	193975770	ONNOVFWCBTVBJO-LLVKDONJSA-N	316.361	1.539	50	20	DDGD	
CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NN	193441083	KFOFIGLXPOSNOJ-JTQLQIEISA-N	301.799	1.181	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@@H]1CCc2c(F)cccc21	98033478	RWNUKZZZBYRCQS-OLZOCXBDSA-N	307.325	1.322	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1C1CC1)[C@H]1COc2ccccc2O1	246621931	XXQSYEGURAXDBE-MISXGVKJSA-N	302.330	1.020	50	20	DDGD	
CC(C)(C)c1nc(C(=O)NNC(=O)NCC(F)(F)F)cs1	263721750	BJRQOWNYIVPROT-UHFFFAOYSA-N	324.328	1.947	50	20	DDGD	
COc1ccc(NNC(=O)CCn2cc([N+](=O)[O-])nc2C)cc1	266981811	DIOBCWKFRAJDMZ-UHFFFAOYSA-N	319.321	1.642	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@H](CC(C)C)NC(=O)OCC	269452703	DDGJDPLWOIBKCW-XSNHNAGMSA-N	311.382	1.707	50	20	DDGD	
CC(C)C(=O)Nc1nc(CC(=O)NNC(=O)C2CCC2)cs1	264790747	RUSQRWVOPDSSJS-UHFFFAOYSA-N	324.406	1.228	50	20	DDGD	
CC(C)(C)c1nnc(CNC(=O)NNc2cccnn2)s1	268350119	RBDFJXPMURAQAV-UHFFFAOYSA-N	307.383	1.452	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)c1cc(Br)ccc1O	266455275	DYFSKIZPSFGSHA-SSDOTTSWSA-N	315.167	1.962	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C2CCC2)c([N+](=O)[O-])cc1OC	264674874	HQDBTFDDITXPFX-UHFFFAOYSA-N	323.305	1.173	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNC(=O)COc1ccccc1F	264278702	NILWXJDIXQAUAT-ZDUSSCGKSA-N	323.368	1.226	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CC[C@H](n2cccn2)C1	366373962	XVGNHSMBYKPHFQ-IPJDOKCGSA-N	308.341	1.969	50	20	DDGD	
O=C(NC[C@@H]1COC2(CCCC2)O1)NNC(=O)c1ccccc1	271632988	YTVWIJRQKZQTRY-CYBMUJFWSA-N	319.361	1.316	50	20	DDGD	
CN(NC(=O)CCCCNC(=O)OCc1ccccc1)C(N)=O	272156038	GXXMQSIJYSAXJV-UHFFFAOYSA-N	322.365	1.125	50	20	DDGD	
O=C1CSc2cc(C(=O)NN=c3cc[nH]cc3)ccc2N1	365622081	ILEJKQBHOSAOTG-UHFFFAOYSA-N	300.343	1.305	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNC(=O)CC2CC2)cc1Cl	274102235	XBDRVRPGCBRBLA-UHFFFAOYSA-N	320.736	1.098	50	20	DDGD	
CC(C)N1C[C@@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)CC1=O	273244868	YBHNHOYSPGGTBH-QLBUUCPGSA-N	315.348	1.858	50	20	DDGD	
Cc1nn(CC(=O)NNC(=O)C2CCC2)cc1-c1ccccc1	278686908	UVLPFPABJCKLDZ-UHFFFAOYSA-N	312.373	1.806	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccccc1NC(=O)NC(C)C	272925475	FPINJQUWKDNWSQ-UHFFFAOYSA-N	321.381	1.523	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2cc(C)sn2)c1	277822426	IVTLHEWSIMIHPB-UHFFFAOYSA-N	319.386	1.908	50	20	DDGD	
CCC1(C(=O)NNC(=O)COc2ccccc2F)CCOCC1	272220939	PQCVMAZXZHIZMI-UHFFFAOYSA-N	324.352	1.559	50	20	DDGD	
CC1(C)C[C@H](NC(=O)NNC(=O)c2ccccc2O)C(C)(C)O1	272544911	HOPCRXPAKGOTHI-LBPRGKRZSA-N	321.377	1.682	50	20	DDGD	
O=C(C[C@@H]1C(=O)Nc2ccccc21)NNc1cccc(F)n1	376259913	IGYNDWNQROSHKP-JTQLQIEISA-N	300.293	1.790	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNc1nc(-c2cccnc2)no1	289777490	REWHEYNXZVEUQM-SECBINFHSA-N	319.321	1.164	50	20	DDGD	
CSSCCNC(=O)c1csc(S(C)(=O)=O)c1	283906282	DICUIDHMATWRHX-UHFFFAOYSA-N	311.475	1.893	50	20	DDGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NNC(=O)Nc1ccccc1C	286019457	RSJWAOCXCOGNAE-HZMBPMFUSA-N	320.393	1.699	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNC(=O)CC2CCCC2)nc1Cl	287339867	IMODWPBEYPOSMG-UHFFFAOYSA-N	324.768	1.175	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1	288649345	ZQKLXIWXSMTUJW-FNDVETGQSA-N	320.393	1.227	50	20	DDGD	
Cn1cc([C@H]2OCC[C@@H]2C(=O)NNc2ncccc2F)cn1	285987619	NIQBZBJLBZGQRF-CMPLNLGQSA-N	305.313	1.175	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cn2cc(Cl)cc(Cl)c2n1	283034547	PLXPTWQURQYMKE-UHFFFAOYSA-N	313.144	1.812	50	20	DDGD	
N#Cc1cc(Br)ccc1C(=O)NNC(=O)NC1CC1	294779371	RQRBHRGIBDVBLX-UHFFFAOYSA-N	323.150	1.427	50	20	DDGD	
COC(=O)COc1cccc(C(=O)NNC(=O)OC(C)(C)C)c1	298833260	AJNFHCXKFOJNQI-UHFFFAOYSA-N	324.333	1.408	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1cncn1C	809561480	YDPKLFZIZWBGRL-UHFFFAOYSA-N	308.725	1.157	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@H]2C[C@H](c3ccccc3)C2)O1	298249167	JWSAKRPKTRUZEL-MXAVVETBSA-N	317.389	1.831	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2CCCC2)c(C)c1OC	804251047	DAJWKVGIPBTROD-UHFFFAOYSA-N	306.362	1.963	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)[C@H]1CCCCO1	296142532	JAOAUNPQXWMRPZ-GFCCVEGCSA-N	322.321	1.625	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)O1	293035920	LJPRCFXYTMQFBH-WDMOLILDSA-N	317.345	1.040	50	20	DDGD	
Cc1nc(CCCC(=O)NNC(=O)[C@H]2CCCCO2)cs1	295343849	IDQSAIZWMLZBCK-GFCCVEGCSA-N	311.407	1.491	50	20	DDGD	
CC[S@](=O)CC(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	296124294	OLAATQAAGZQYFR-IBGZPJMESA-N	305.743	1.460	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2ncccn2)c(Cl)c1	802047346	BQJRRHJDQBACPG-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@@H]1OC[C@H]2COCC[C@@H]21	291356680	SUJCCNNJIGMLJL-JIMOISOXSA-N	307.306	1.089	50	20	DDGD	
Cc1ncccc1C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802124276	JIOHQCXNOYQXPG-UHFFFAOYSA-N	313.361	1.923	50	20	DDGD	
Cn1nnc2c(C(=O)NN=c3cc[nH]c4ccccc34)ccnc21	801615422	BBLJAYCMVYWGKI-UHFFFAOYSA-N	319.328	1.090	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@H]1CCN(c2ccccc2F)C1	292819419	AUCUYBQEIVEMGA-LBPRGKRZSA-N	320.368	1.535	50	20	DDGD	
CC(C)(C)c1cnc(CCC(=O)NNC(=O)[C@@H]2CCCCO2)o1	295340413	HWPMFUQISYMTEV-NSHDSACASA-N	323.393	1.621	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc(C(N)=O)cc1	805381757	USOJXPJXXXMSNZ-UHFFFAOYSA-N	314.301	1.759	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@H]2CCCCC2(F)F)n1	297687206	QCJGKQMJIFDBOV-SECBINFHSA-N	315.324	1.937	50	20	DDGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CC[C@H](CC(N)=O)C1	808772526	CRLFNZYXUCRMQI-SBALOJEDSA-N	300.318	1.657	50	20	DDGD	
CCNC(=O)c1cccc(CNC(=O)NNC(=O)CC(C)C)c1	298690842	BMVBNAFITRCXGQ-UHFFFAOYSA-N	320.393	1.313	50	20	DDGD	
O=C(NC[C@H]1CCOC1)NNc1cc(C(F)(F)F)ccn1	296339055	MGKGJTNYPQJCGM-MRVPVSSYSA-N	304.272	1.763	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2C[C@@H](c3ccccc3)OC2=O)ncn1	809680186	QTPHPFYYVQUWBA-OLZOCXBDSA-N	312.329	1.533	50	20	DDGD	
CC(=O)C1(C(=O)NNC(=O)COc2cc(C)cc(C)c2)CC1	292808177	WZFJWMQNERYURJ-UHFFFAOYSA-N	304.346	1.199	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CC[C@@H](CC(=O)O)[C@H]1C	814854109	CPNOHURIIJMOOS-ZJUUUORDSA-N	311.382	1.284	50	20	DDGD	
N#Cc1ccc(NC(=O)NNC(=O)CC(F)(F)F)cc1F	810254228	GLZOEZLASPGSLS-UHFFFAOYSA-N	304.203	1.802	50	20	DDGD	
Cn1nncc1NNC(=O)c1c[nH]nc1-c1c(F)cccc1F	816770783	LNALQIGUOGGPAJ-UHFFFAOYSA-N	319.275	1.240	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNC(=O)COc1ccccc1O	810365484	SYFKMJWJGOQNJT-UHFFFAOYSA-N	324.336	1.142	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)COc1ccccc1O	814952786	BSWSBLMJJDELFB-UHFFFAOYSA-N	302.334	1.272	50	20	DDGD	
CCCN(CC)C[C@H](C)NS(=O)(=O)CBr	810119679	DARMPDJRVCKIAI-VIFPVBQESA-N	301.250	1.379	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1c(C)nsc1NC1CC1	814626574	UGUKKFDLBJTAGE-UHFFFAOYSA-N	311.411	1.770	50	20	DDGD	
COCCOCC(C)=NNC(=O)CSc1ccccc1O	814970209	HVSVPGDUGBSBGN-UHFFFAOYSA-N	312.391	1.639	50	20	DDGD	
CCN(CC)c1ncc(C=NNC(=O)c2cnccn2)s1	818285562	JBEDEBSKOOKFCE-UHFFFAOYSA-N	304.379	1.543	50	20	DDGD	
CCCCC(=O)N1CSC[C@H]1C(=O)NNC(=O)CC1CC1	819140934	RPCVFJWJBRKQQM-NSHDSACASA-N	313.423	1.026	50	20	DDGD	
Cc1cc(Cl)nc(C(=O)NNC(=S)N[C@@H](C)C2CC2)c1	824446607	ODTYSQMCMXEISZ-QMMMGPOBSA-N	312.826	1.951	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)COCc1ccccc1)C(C)C	490962092	MDZLYAGKRJCRAS-CQSZACIVSA-N	303.362	1.191	50	20	DDGD	
Cc1cn2ccc(NC(=O)NNC(=O)[C@H]3CCO[C@@H]3C)cc2n1	825928090	MJFSWAXJZHAAMN-PWSUYJOCSA-N	317.349	1.220	50	20	DDGD	
Cc1ccncc1/C=C/C(=O)NNC(=O)Cc1ccccc1F	492541268	SQYUKLJDLSNDHA-VOTSOKGWSA-N	313.332	1.932	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C	495991848	UIDNDSRCZMADOD-UWVGGRQHSA-N	315.370	1.361	50	20	DDGD	
CCOC(=O)NNC(=O)CN(C(=O)OC(C)(C)C)C1CC1	493964235	XBCNRGZBZFPZJX-UHFFFAOYSA-N	301.343	1.163	50	20	DDGD	
CCN(CCO)NC(=O)c1ccn2cc(C(F)(F)F)nc2c1	823897639	HZAMLURHLIHZAB-UHFFFAOYSA-N	316.283	1.312	50	20	DDGD	
CCn1ccnc1C=NNC(=O)NCCNC(=O)OC(C)(C)C	494107034	LXUSWIQQQWFDHW-UHFFFAOYSA-N	324.385	1.061	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)CCCOCc1ccccc1	821128394	XSJCQCZFLVPJFH-UHFFFAOYSA-N	314.407	1.200	50	20	DDGD	
Cc1ccc(N2CCC[C@@H](NCc3ccc(B(O)O)cc3)C2)cc1	585027336	QMWJKMXGWLUVOL-GOSISDBHSA-N	324.233	1.433	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@H](C2CC2)[C@H](CO)C2CC2)cn1	491100453	AVNKTULKKODNGF-UPYRFZFASA-N	314.389	1.240	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(C(=O)O)c2)c(C)o1	820963762	ROBBKSOSVZWGID-UHFFFAOYSA-N	302.286	1.669	50	20	DDGD	
N#C[C@@H](c1ccccc1)N1CCN(S(=O)(=O)CCl)CC1	820781621	CCWDHZPGGNCFTK-ZDUSSCGKSA-N	313.810	1.395	50	20	DDGD	
C[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)[C@H]1C[C@H]2CC[C@H]1C2	584926867	FBEJGXVENQBHCS-MRBYEJRBSA-N	305.158	1.060	50	20	DDGD	
COC(=O)NCCC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	491254927	IDPUKCGBIADYJF-UHFFFAOYSA-N	316.701	1.437	50	20	DDGD	
CC1CCN(C[C@@H](C)C(=O)NN=Cc2ccc(C(=O)O)[nH]2)CC1	828289857	OBNUDNIFJXVDFR-GFCCVEGCSA-N	320.393	1.531	50	20	DDGD	
CC(C)[C@@H](NCC(=O)NNC(=O)C1CC1)c1ccc(F)cc1	733193297	MPSCCKGHOSMZMB-OAHLLOKOSA-N	307.369	1.670	50	20	DDGD	
Cn1cccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)c1=O	739044161	ZIABNJDNVQXOMI-UHFFFAOYSA-N	318.241	1.211	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)CC2(O)CCC2)cc1	822209894	COCHNOPYGIPGDJ-UHFFFAOYSA-N	308.403	1.540	50	20	DDGD	
CCOCC(=O)NN=Cc1cccc(Br)c1O	731153919	LLDTYKADBOJOKJ-UHFFFAOYSA-N	301.140	1.641	50	20	DDGD	
O=C(O)CN(C1CC1)S(=O)(=O)c1ccc(CCCl)cc1	833248332	OJIPGZJJZYECKJ-UHFFFAOYSA-N	317.794	1.706	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)[C@@H]3CCCCO3)cc2n1C	833235708	JYULSFGMGQGQCC-AWEZNQCLSA-N	316.361	1.212	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NNC(=O)c1ccc(O)c(Cl)c1	734118530	KGTQMPBQJFFDQL-CLFYSBASSA-N	309.709	1.251	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ncccc2N(C)C)n1	900916770	DXDZOWUHZQIENJ-UHFFFAOYSA-N	302.338	1.012	50	20	DDGD	
COCCN(C)NC(=O)CCOCC(F)(F)C(F)(F)F	837625049	HDPVYADLKAGLJU-UHFFFAOYSA-N	308.247	1.200	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@H](C)C#N)cc1	735836177	DNVHGSKYOKGQRF-MNOVXSKESA-N	305.334	1.160	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCC(c2ccccc2F)CC1	736314414	ZUEGDVYEPPYWRV-GFCCVEGCSA-N	321.396	1.951	50	20	DDGD	
COc1ccc(S[C@H](C)C(=O)N2CC[C@@H](B(O)O)C2)cc1	585069927	UBRPAOXSCWUFDF-GHMZBOCLSA-N	309.196	1.251	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@H]2CCOC(C)(C)C2)nc1	836676524	LLINAVCGIOFABO-NSHDSACASA-N	308.382	1.922	50	20	DDGD	
CCCCNC(=O)[C@@H]1CC[C@@H](C)N(S(=O)(=O)CCl)C1	830161099	MNLFSOGROUAJHN-GHMZBOCLSA-N	310.847	1.529	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1cc2c(cn1)CCC2	836701755	GINYPILRGFZNNW-UHFFFAOYSA-N	311.345	1.361	50	20	DDGD	
CC(C)C[C@@H](NC(=O)c1cc(B(O)O)ccc1F)C(C)(C)C	584948178	DDIDCRYOQPBBIS-CQSZACIVSA-N	309.190	1.696	50	20	DDGD	
CCCCc1ccc(NC(=S)NNC(=O)CC(=O)OC)cc1	905107982	IWVNPYYKYZCDPD-UHFFFAOYSA-N	323.418	1.910	50	20	DDGD	
CN(C)C1(CNC(=O)[C@]2(C)C[C@H]2Br)CCOCC1	906696720	IUYQUCQZZKCATP-ZYHUDNBSSA-N	319.243	1.387	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C#CC2CC2)c1C	837310731	PRNGORLIBHYKMD-ZDUSSCGKSA-N	300.358	1.632	50	20	DDGD	
CN(C(=O)c1ccc(B(O)O)cc1)C1C2CC3CC(C2)CC1C3	584930246	YHOFTAQQDUFRIJ-UHFFFAOYSA-N	313.206	1.263	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc(C#N)cc1Cl	831566475	RCIMZAOAMJEQHB-SCZZXKLOSA-N	322.752	1.789	50	20	DDGD	
CCc1ccccc1O[C@H](C(=O)NCB(O)O)c1ccccc1	585059574	SROQPCYWOICFHZ-INIZCTEOSA-N	313.162	1.497	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)[C@H]2CCCCO2)c(Cl)c1	833246442	KMKKOAGFYIUBGB-CYBMUJFWSA-N	310.781	1.907	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NC1CCC(C(=O)O)CC1	736283557	LBKREJVDOJVEGX-UHFFFAOYSA-N	301.343	1.369	50	20	DDGD	
C#Cc1cccc(CNC(=O)NNC(=O)[C@H]2CCCCO2)c1	836658156	IMPMDZGAJVADDJ-CQSZACIVSA-N	301.346	1.067	50	20	DDGD	
CCn1nnc(C)c1COC(=O)/C(C#N)=C\c1ccc(O)cc1	837561931	LHHORBXPCRCFSM-JYRVWZFOSA-N	312.329	1.962	50	20	DDGD	
COc1ccccc1C(=O)NN=C[C@@H](OC)C1CCOCC1	834956007	JCXBNIDZCAVZET-OAHLLOKOSA-N	306.362	1.852	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)c2ccc(F)cc2O1	744404534	ATUWAHCLBAYJAT-SNVBAGLBSA-N	323.368	1.607	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C/C=C/c1ccccc1[N+](=O)[O-]	748259242	HIOVAIMNMPQFBL-VMSNLZJJSA-N	321.333	1.762	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)c2ccc[nH]2)c1OC	916982162	ZGSRSMZTMVCGGB-UHFFFAOYSA-N	304.306	1.498	50	20	DDGD	
COc1ccc(C)cc1-n1ccc(C(=O)NN(C)C[C@H](C)O)n1	910167966	LOSQYIOQOZRJFL-LBPRGKRZSA-N	318.377	1.147	50	20	DDGD	
COc1nccnc1NNC(=O)COC[C@@H](C)c1ccccc1	846260071	FSKZWEXSNCRJIW-GFCCVEGCSA-N	316.361	1.749	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC2(C1)CS(=O)(=O)C2	910700952	NLNYNZWXODYITJ-QMMMGPOBSA-N	324.240	1.053	50	20	DDGD	
CCN(CC)CCC(=O)NNC(=S)N[C@H]1CCCC[C@H]1C	916126830	LXNFCHCECBSDJJ-OLZOCXBDSA-N	314.499	1.792	50	20	DDGD	
Cn1ncc2c1CCC[C@H]2NC(=O)NNC(=O)C1CCCC1	916604949	RAYVZAQMMXHYCN-GFCCVEGCSA-N	305.382	1.318	50	20	DDGD	
CC[C@@H]1NCC[C@H]1C(=O)NNc1ncc(Br)cn1	848436148	HVBBQRZLNCSUGN-BDAKNGLRSA-N	314.187	1.070	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(S(C)(=O)=O)o2)cc1	746886020	HHWXLZVWAAFMOR-UHFFFAOYSA-N	310.331	1.449	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H](C)C(C)C)c1	745024964	BUBZWKVHDCLUNI-GFCCVEGCSA-N	306.362	1.591	50	20	DDGD	
O=C(Cc1ccc(-n2cccc2)cc1)NNC(=O)c1ccc[nH]1	914750990	VBUGPDDVWUGMQN-UHFFFAOYSA-N	308.341	1.809	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@@H](O)C2CCC2)C[C@H]1Br	856961166	WOGIPFPHRJDXRE-CKYFFXLPSA-N	305.216	1.620	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(NC(=O)CC(C)C)c(F)c1	742054064	WLROZYWXYROTDB-UHFFFAOYSA-N	324.356	1.774	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2	845222822	CXNXBPJCGFXFLC-RFQIPJPRSA-N	322.405	1.714	50	20	DDGD	
CS(=O)(=O)Nc1ccc(C(=O)NNc2ccccc2F)cc1	748056221	JTFBJRIGICQLPZ-UHFFFAOYSA-N	323.349	1.954	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCCOC2CCC2)c1	743589568	KDEXJEVUYKNMCT-UHFFFAOYSA-N	302.334	1.071	50	20	DDGD	
CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)C1C(C)(C)C1(C)C	746576145	MVRHWQQDPKFKRL-VIFPVBQESA-N	303.428	1.098	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCOc1ccccc1Cl	914751152	JEHYOWNWZYPATH-UHFFFAOYSA-N	321.764	1.909	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@H](CO)c1cccnc1	917485503	VBMPAZSSHOOTFH-LLVKDONJSA-N	306.815	1.299	50	20	DDGD	
CCOC(=O)C1CCC(=NNC(=O)Cc2ccncc2)CC1	747640526	CIWLWZIUTIJGDJ-UHFFFAOYSA-N	303.362	1.850	50	20	DDGD	
CCNCCCNC(=O)NNC(=O)c1cn(C)c2ccccc12	841917348	FWLGDDKVFMWOPL-UHFFFAOYSA-N	317.393	1.122	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	921040737	APSPPLZTLOYXMF-UHFFFAOYSA-N	305.313	1.570	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1cnccc1C	743282186	JBCUDZCVDDBSGK-UHFFFAOYSA-N	313.357	1.792	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cn(C)c2ccccc12)[C@@H](C)O	842225163	TVICRSGQNFHIHZ-GHMZBOCLSA-N	303.362	1.346	50	20	DDGD	
CS(=O)(=O)/C(C#N)=C/c1c[nH]nc1-c1ccc2c(c1)OCO2	920243501	JUORKBXEHFINJR-NYYWCZLTSA-N	317.326	1.714	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCCN(C)CCO)cc1	925008804	HOTGGKVMJRLXTK-QINSGFPZSA-N	317.389	1.033	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)c2cccc(Cl)c2)no1	920235000	ANXBEQODXUBNNX-UHFFFAOYSA-N	308.725	1.781	50	20	DDGD	
CN1CC[C@@H]1CNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	925393280	FZKGJBUJVVLMGU-CQSZACIVSA-N	318.421	1.632	50	20	DDGD	
C[C@@H]1C[C@H](CN)CN1C(=O)NC[C@@]1(C)C[C@@H]1Br	857105532	MVJVGUBAPCZIDF-MWGHHZFTSA-N	304.232	1.539	50	20	DDGD	
CC(C)Cn1nccc1C(=O)NNC(=S)N[C@@H](C)C1CC1	855095613	NEYLFIKQPHCKFJ-JTQLQIEISA-N	309.439	1.447	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](C)NC(C)=O)c(C(F)(F)F)c1	857265587	SVYQBBVJUKMIRG-SSDOTTSWSA-N	319.283	1.682	50	20	DDGD	
CC(CC1CCOCC1)=NNC(=O)Cc1cc(O)nc(S)n1	757564757	LULDZTYANZNZBW-UHFFFAOYSA-N	324.406	1.322	50	20	DDGD	
C[C@@H](OCC1CC1)C(=O)NN=c1sc2ccccc2n1C	920807229	APSDWDKQTPFAKS-SNVBAGLBSA-N	305.403	1.987	50	20	DDGD	
Cc1cc(C)n(CCCC(=O)NNC(=O)c2ccncc2)n1	929101853	ITISYQYIYGGBTO-UHFFFAOYSA-N	301.350	1.136	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(Cl)ccc1OC	755345310	VWBVOAWVFXZDFU-UHFFFAOYSA-N	301.730	1.538	50	20	DDGD	
CNS(=O)(=O)C[C@@H]1CCCN1/C(=C/C#N)c1ccccc1	750800646	GXQLWRHWQBLQOC-AHSSXEFNSA-N	305.403	1.565	50	20	DDGD	
O=C(COCCc1ccccc1)NNC(=O)OCC(F)(F)F	856024508	XWAOFXPLBOHPJH-UHFFFAOYSA-N	320.267	1.565	50	20	DDGD	
COc1cncc(C=NNC(=O)CCN2CCCCCC2)c1	853276822	INCYRSGSRVAGII-UHFFFAOYSA-N	304.394	1.806	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1cn(C2CC2)nn1	858150617	CMCAPGCYUJWHDV-UHFFFAOYSA-N	319.752	1.270	50	20	DDGD	
O=C1CC(C(=O)OC[C@H](CBr)C2CC2)CC(=O)N1	859541122	SHSTZOZQMRJCPN-VIFPVBQESA-N	318.167	1.004	50	20	DDGD	
C#C[C@H](CC)NC(=O)NNC(=O)COc1ccccc1CC	854069797	ZNOAPZFEEKBPMD-CYBMUJFWSA-N	303.362	1.370	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc1F	856227986	OYDQVEBFBQLDLU-VHSXEESVSA-N	302.371	1.646	50	20	DDGD	
C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NNc1cnnn1C	857272914	KZVXASOAAMKKIK-SECBINFHSA-N	321.768	1.821	50	20	DDGD	
Cc1ccc(Cl)c(NC(=O)NNC(=O)c2cnccn2)c1	757696297	MSLVNJVWIUVKIF-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1ccn(-c2ccccc2)n1	755487129	UVGPKUZAXVJDEM-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C=NNC(=O)c1ccnnc1	853359097	JQWYJDAFPIRKCG-WCQYABFASA-N	314.349	1.094	50	20	DDGD	
CC(C)(C)c1ccc(CC(=O)NNC(=O)c2cc[nH]n2)cc1	855357843	RLJDRPWPRQBOCN-UHFFFAOYSA-N	300.362	1.711	50	20	DDGD	
COc1cc(C(=O)NN=C2CN(C)C[C@H]2C)cc(OC)c1OC	752155920	UTNPDTLOJJAVQR-SNVBAGLBSA-N	321.377	1.380	50	20	DDGD	
CC(C)C1(C(=O)NNC(=O)c2cn(C)c3ccccc23)COC1	929413607	ZNKYMCDKNQDSAN-UHFFFAOYSA-N	315.373	1.612	50	20	DDGD	
O=C(C[C@H]1CCCCO1)NNC(=O)c1cc2c(s1)CCC2	755047035	WJXDWCSTJBOEKY-LLVKDONJSA-N	308.403	1.957	50	20	DDGD	
O=C(NCC1CC1)NN=Cc1ccc(C(=O)NC2CC2)cc1	920828514	MGAGFCDIEJXHRS-UHFFFAOYSA-N	300.362	1.622	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NN=Cc1ccns1	853377795	GAYILNBMKLZFOE-DGCLKSJQSA-N	319.390	1.495	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2c(O)cccc2O)c1	756764206	GXTDJRJJQLGZSE-UHFFFAOYSA-N	316.313	1.246	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2cc(C(N)=O)cs2)n1	755892202	MDFHXHHJMUFDQU-UHFFFAOYSA-N	308.388	1.305	50	20	DDGD	
C[C@@]1(CNC(=O)N2CC[C@@H]3OCC[C@@H]3C2)C[C@@H]1Br	856892750	IVAZHGIKQPEEDL-BLFANLJRSA-N	317.227	1.980	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1CCc2ccccc21	852395053	ZIQUAVVWPJZBTP-MPKXVKKWSA-N	303.362	1.429	50	20	DDGD	
C[C@H](NC[C@@]1(C)C[C@@H]1Br)C1CCS(=O)(=O)CC1	857062822	FROBXHNKUDJKDZ-ZMLRMANQSA-N	324.284	1.963	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)OC[C@H](CBr)C1CC1	859538297	BYTXBHXRIYRBJM-AEJSXWLSSA-N	305.168	1.760	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NC[C@]1(C)C[C@H]1Br	857734920	XAGKAKSKXXYPII-SBMIAAHKSA-N	320.231	1.503	50	20	DDGD	
CCn1ncc(Cl)c1C(=O)NNC(=S)N[C@H](C)C1CC1	857724630	ZIRIFBYOBAKVGL-SSDOTTSWSA-N	315.830	1.464	50	20	DDGD	
C[C@H]1C[C@H](CCNC(=O)NNC(=O)CC(F)(F)F)CCO1	753333814	FJMLOUCWWNQIEX-DTWKUNHWSA-N	311.304	1.474	50	20	DDGD	
CCc1ccc(CC(=O)NNC(=S)NCC2CCC2)nc1	855092989	GGNCSPSSBQPCHW-UHFFFAOYSA-N	306.435	1.482	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2ccc(OC(F)F)c(F)c2)N1	863147526	HZONCBJVMZUUBN-SECBINFHSA-N	315.251	1.156	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCc2nnc(O)cc2C1	867124357	LRRGBICZFJZPFL-UHFFFAOYSA-N	319.814	1.135	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1	765174719	IBYULERYCVLWSS-UHFFFAOYSA-N	322.346	1.055	50	20	DDGD	
C[C@@H](NNC(=O)CCc1nc(-c2ccoc2)no1)C(F)(F)F	862313114	CGMICPYJOGFXTL-SSDOTTSWSA-N	318.255	1.834	50	20	DDGD	
CCOc1nc(C(F)(F)F)ccc1C(=O)NNC(=O)NC	760149173	QGGDVZHIOVEHAW-UHFFFAOYSA-N	306.244	1.073	50	20	DDGD	
COc1cccc(OC)c1C(=O)NNc1nccnc1OC	764469934	OEEHFAYROYZGQE-UHFFFAOYSA-N	304.306	1.259	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cnc3[nH]cnc3c2)cc1	763273129	CBFXFNWZDCGMBJ-UHFFFAOYSA-N	324.344	1.139	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCC(=O)NC1CCCC1	767921123	UNMOIJTYZZXZEV-LLVKDONJSA-N	319.243	1.971	50	20	DDGD	
Cc1ccc(F)c(OCC(=O)NNC(=O)CC(F)(F)F)c1	765403368	GRCJZZDCSMQZGT-UHFFFAOYSA-N	308.231	1.613	50	20	DDGD	
Cn1c(C(=O)NC[C@@]2(C)C[C@@H]2Br)cnc1Cl	864072306	HZBHMVIHHFOUJZ-OIBJUYFYSA-N	306.591	1.977	50	20	DDGD	
O=C(NCc1cnn(CC(F)(F)F)c1)NNc1cccnn1	763679380	CGYVTUZQJGKZID-UHFFFAOYSA-N	315.259	1.062	50	20	DDGD	
CCn1c(C(C)=NNC(=O)[C@@H]2CCC(=O)N2)nc2ccccc21	863148709	IQUFGRFQNRAPSN-LBPRGKRZSA-N	313.361	1.175	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)[C@H]2CCC(=O)N2)cc1OC	863145009	DIHOGVYHUXQACF-GFCCVEGCSA-N	319.361	1.213	50	20	DDGD	
CC(C)(C)[C@@H](O)C(=O)NNC(=O)Cc1cccc2ccccc12	764657508	XOBUCZQDFBDCHR-INIZCTEOSA-N	314.385	1.937	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccccc1S(C)(=O)=O)c1ccc[nH]1	760350175	WSPKOEUTFGLYEE-SNVBAGLBSA-N	322.390	1.806	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1F)C(C)C	769968157	ICPPQVQCFWFJTQ-NSHDSACASA-N	302.733	1.911	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2cc(C3CC3)n(C)n2)c1	1117675311	JSRWLNAWOACZPN-UHFFFAOYSA-N	314.349	1.083	50	20	DDGD	
CC1(C)CCCN(CCNS(=O)(=O)CBr)C1	767637920	QHLZKBXDTQWVEB-UHFFFAOYSA-N	313.261	1.380	50	20	DDGD	
COc1cc(NC(=O)CCl)c(C(=O)N(C)C)cc1OC	1116434373	UFYCGQYDSXLCEI-UHFFFAOYSA-N	300.742	1.583	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1CC[C@@H](C)C1	776337844	AOYDYUYOYVNJCI-ZYHUDNBSSA-N	300.362	1.840	50	20	DDGD	
COC(=O)NNC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1	877999605	DHZOUMADUBZVFR-UHFFFAOYSA-N	320.345	1.657	50	20	DDGD	
O=C(/C=C/[C@H]1CCCNC1)NNc1nc(-c2ccccc2)no1	876644781	IAGJRONNYSYDCN-IDVQTMNDSA-N	313.361	1.736	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1	875202809	HPPVVFUKLUDKIR-LBPRGKRZSA-N	324.381	1.637	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1cnco1	772993511	CBCZBVCWHGKIEJ-QMMMGPOBSA-N	309.709	1.557	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C\c1ccco1	771889542	LSOWFQWCGQLFIF-JMEBYUIHSA-N	308.334	1.418	50	20	DDGD	
NC(=O)[C@@H]1Cc2ccccc2N(S(=O)(=O)CCCCl)C1	881856526	OYFGUBBIUQNZNQ-LLVKDONJSA-N	316.810	1.109	50	20	DDGD	
CN(Cc1nccn1C(F)F)S(=O)(=O)CCCCl	881777500	VAXUXSJJQUNXSS-UHFFFAOYSA-N	301.746	1.669	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	770856754	HBEIWASPTKOOPG-GXFFZTMASA-N	323.418	1.828	50	20	DDGD	
CN(C)c1cncc(NC(=O)NNC(=O)CC(F)(F)F)c1	880361385	DBMZQMFBNXRBFU-UHFFFAOYSA-N	305.260	1.253	50	20	DDGD	
CS[C@H]1CCC[C@H](NC(=O)NNC(=O)C2CCOCC2)C1	883425395	SSNQTVSPIYGOTP-RYUDHWBXSA-N	315.439	1.418	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(N(C)C(=O)CC)cc1	881047326	NUJSEPUYPFCSJK-UHFFFAOYSA-N	308.338	1.842	50	20	DDGD	
CC(C)C(=O)NNC(=O)C12CC(CN1C(=O)OC(C)(C)C)C2	1120591254	WFJAJQQQDFPQTI-UHFFFAOYSA-N	311.382	1.189	50	20	DDGD	
C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)NNC(=O)c1cccnn1	883852996	ZYTLBAHSIIJWCD-VXGBXAGGSA-N	319.409	1.978	50	20	DDGD	
C[C@@H]([C@H](C)C(=O)NNc1ccc(F)c(F)c1)S(C)(=O)=O	885113804	MWVHXTMHEKCBIJ-YUMQZZPRSA-N	306.334	1.477	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21)C1CCOCC1	883072517	OZKJUPHECVBGQO-QLFBSQMISA-N	300.358	1.146	50	20	DDGD	
CC(CSc1ccccc1[N+](=O)[O-])=NNC(=O)C(C)(C)O	785459740	ARGMCAYOPROHHX-UHFFFAOYSA-N	311.363	1.950	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)[C@@H]3CCC(C)(C)C3)nc21	781970894	SQNNGPZYHLCWRL-MRVPVSSYSA-N	304.354	1.338	50	20	DDGD	
CC1CCN(C(=O)C(=O)NNc2c(F)cc(F)cc2F)CC1	885151885	PVHDGPYUJXVCQC-UHFFFAOYSA-N	315.295	1.806	50	20	DDGD	
C=C/C=C\CCNC(=O)NNC(=O)c1cccc(N(C)C)c1	883825257	JCJROCZBWHLXJO-WAYWQWQTSA-N	302.378	1.829	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC[C@H]2C=CCC2)cc1	883833141	VMWJZFOSHRGHDJ-ZDUSSCGKSA-N	303.362	1.670	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)C(=O)Nc1ccon1	784891823	GCHYLTIOKDYRMI-UHFFFAOYSA-N	300.196	1.174	50	20	DDGD	
C=C[C@@](C)(CC)C(=O)OCC(=O)NNC(=O)c1ccccc1	785754232	OOCNZXLAQNHVIU-INIZCTEOSA-N	304.346	1.593	50	20	DDGD	
C[C@@]1(C(=O)N[C@@H]2Cc3ccccc3[C@H]2O)C[C@@H]1Br	891090797	VBIKNCJQNBVUBK-GFQSEFKGSA-N	310.191	1.934	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccn(CC(C)C)n2)n1	896796213	BYBHWXAMMWVJDH-UHFFFAOYSA-N	304.354	1.403	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21	892752258	DJCVKVYMVCRAFH-FHLIZLRMSA-N	322.364	1.755	50	20	DDGD	
Cc1ccc(S(C)(=O)=O)cc1C(=O)NNc1ncccc1C	791218973	HOIXWKDVGRWMNO-UHFFFAOYSA-N	319.386	1.859	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1cccc(O)c1O	791071176	YEEHZBDUDJJCGM-UHFFFAOYSA-N	307.237	1.902	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Cc1ccc(C(N)=O)cc1	792564534	XWCKTGGHWFHFGZ-UHFFFAOYSA-N	311.341	1.098	50	20	DDGD	
COc1sc(/C=C(\C#N)S(N)(=O)=O)cc1Br	799894315	RLQYNGAKGRIBSF-QHHAFSJGSA-N	323.193	1.672	50	20	DDGD	
O=C(COC1CCOCC1)NNc1cccc(F)c1[N+](=O)[O-]	791066395	HKYGPDGCBIAJRW-UHFFFAOYSA-N	313.285	1.373	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)c2ccccc2C)cn1	795282468	CIVODNLMAAOHJY-UHFFFAOYSA-N	321.358	1.022	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)c2ccc(S(N)(=O)=O)cc2)c1	798334690	NDUBEJYRXJEOQT-UHFFFAOYSA-N	319.386	1.708	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)NCC(F)(F)F)on1	792985052	HFFWDGMDVVRQPN-UHFFFAOYSA-N	308.216	1.047	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2c[nH]nc2-c2ccncc2)n1	794084775	VQRXKJSPDXQXBD-UHFFFAOYSA-N	322.328	1.250	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2cccc3c[nH]nc23)ccn1	1329398172	OTUYUNYJAZNYMR-UHFFFAOYSA-N	308.345	1.788	50	20	DDGD	
CC(=NNC(=O)C[n+]1ccccc1)c1cc(C(=O)O)ccc1C	1321540422	PBDURFGYMQQTLK-UHFFFAOYSA-O	312.349	1.521	50	20	DDGD	
Cc1c(C#N)cccc1C(=O)NNC(=O)c1cccc(C#N)c1	1321257957	GTSRYWHBCBCQJY-UHFFFAOYSA-N	304.309	1.813	50	20	DDGD	
CN[C@@H](C)CCNC(=O)NNC(=O)c1cc2c(s1)CCC2	1325324722	TZFAMCMMFMXPRB-VIFPVBQESA-N	310.423	1.179	50	20	DDGD	
CNC[C@H](C)CNC(=O)NNC(=O)c1cc2ccccc2o1	1325365205	CGVNFAXSXMFFHR-JTQLQIEISA-N	304.350	1.232	50	20	DDGD	
Cc1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cc1Br	585068503	COEADKLNXOTZTN-SNVBAGLBSA-N	311.972	1.446	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC(C)(C)[C@@H]2CCC[C@@H]21	1340402206	VZBMFZTZZVVLDG-XQHKEYJVSA-N	309.410	1.663	50	20	DDGD	
C[C@H](NC(=O)C1CCC(Cl)CC1)[C@@H]1CN(C)CCN1C	1519587347	OWSVNQHKHZKVBF-ABXWRUBCSA-N	301.862	1.535	50	20	DDGD	
C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNc1ccc(C(C)(C)C)cc1	1528093903	BJBZBFGDBRPDSG-CZUORRHYSA-N	316.449	1.816	50	20	DDGD	
O=C(O)C1(C(=O)NNc2ccc(Br)c(F)c2)CC1	1608566469	PJVYISRUHRKBPG-UHFFFAOYSA-N	317.114	1.896	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)O[C@@H](C(=O)O)C2CC2)cc(C#N)n1C	1607523949	AKDXEUOORQFRCA-IMBBRHANSA-N	313.313	1.519	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2ccc(C(=O)O)cc2F)CCN1C	1604677845	YMHRIGYOHIMKAN-GXSJLCMTSA-N	324.356	1.633	50	20	DDGD	
Cn1nc(C(=O)O)cc1C(=O)NNc1cccc(F)c1Cl	1601001484	YQHZNDBCRPQTCP-UHFFFAOYSA-N	312.688	1.668	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@H]1CCC(=O)[C@H](C)C1	1607140768	ZJLQJVAHQPUFHL-ZJUUUORDSA-N	320.345	1.842	50	20	DDGD	
CC[C@@](COC)(NC(=O)/C(C#N)=C\c1ccc(O)cc1)C(=O)O	1605050742	WKKUFEQMOJPRIG-LJEUOOAZSA-N	318.329	1.295	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)CCOCC(F)(F)F)cc1	1602127061	DVTHYJOGUPVVAG-UHFFFAOYSA-N	320.267	1.726	50	20	DDGD	
O=C(O)Cc1ccc(NC(=O)NNc2ccncn2)cc1F	1602124790	CHDGCDYPVLHMBH-UHFFFAOYSA-N	305.269	1.391	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2c(O)cccc2O)c1F	1602448856	VUZAVDZVGMCORW-UHFFFAOYSA-N	306.249	1.692	50	20	DDGD	
O=C(NNC(=O)C12CC(C(=O)O)(C1)C2)c1ccc(Cl)cc1O	1601553752	SZMPQBLUMCBAJY-UHFFFAOYSA-N	324.720	1.062	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1605007109	KYMCEXYWHWNFBN-LBPRGKRZSA-N	304.354	1.371	50	20	DDGD	
O=C(C=C1CCCC1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1606478748	MFORSHIWDNBVRW-UHFFFAOYSA-N	312.333	1.128	50	20	DDGD	
Cc1ncccc1CC(=O)NNc1cccc(F)c1C(=O)O	1607988882	LOOLXNFBTSNAFZ-UHFFFAOYSA-N	303.293	1.913	50	20	DDGD	
CC(C)c1cnc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)s1	1549320339	LWYRZCKHBKYIFC-VXGBXAGGSA-N	322.434	1.580	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@H]1C(=O)NN=Cc1ccns1	1549313871	GAYILNBMKLZFOE-YPMHNXCESA-N	319.390	1.495	50	20	DDGD	
COc1ccsc1C=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549320349	ZKNQFEFJLOOSOQ-CMPLNLGQSA-N	309.391	1.070	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)NN=CC[C@@H]1CCOC1	1549321330	UGPGBKFKMWJZHZ-VNHYZAJKSA-N	320.393	1.416	50	20	DDGD	
CCc1ncc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)s1	1549316460	GOXKUOPQHCNMBM-ZYHUDNBSSA-N	308.407	1.019	50	20	DDGD	
C/C(=C\C1CCC(C)CC1)C(=O)NNC(=O)C1CCNCC1	1574972818	MIWGJSFKPKYWTF-ACCUITESSA-N	307.438	1.906	50	20	DDGD	
COc1ccc(Br)c(NNC(=O)NCCCN)c1	1579185324	AMYZVDJTTUWBLV-UHFFFAOYSA-N	317.187	1.433	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@@H](N)CCCCC#N	1578506228	ICELOVTVXQEIQU-AWEZNQCLSA-N	318.377	1.697	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)[C@]12CC[C@H]1CNC2	1580713285	XYCMYFVTFABGRZ-NHYWBVRUSA-N	322.796	1.170	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1c(C)sc(C)c1C(=O)O	1596663453	SBXDHNKQLMBHSQ-UHFFFAOYSA-N	301.324	1.846	50	20	DDGD	
N[C@@H](CC(=O)NNC(=S)Nc1cccc(Cl)c1)C(F)F	1580121345	SNWNCECGEAEHJA-QMMMGPOBSA-N	322.768	1.640	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2nccn2C)C1	1842512750	BNVCNLRITRPGKJ-NSHDSACASA-N	324.812	1.255	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)C(C)(C)OC)C2	1845162894	UFYCJDZKHKFOPL-NSHDSACASA-N	316.829	1.632	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1	1589536187	DHOLANZQGUJMID-UHFFFAOYSA-N	322.756	1.327	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)[C@]1(C(=O)O)C[C@@H]1c1ccccc1	1591213858	GZDYYDLDKWONGO-DYVFJYSZSA-N	318.373	1.829	50	20	DDGD	
COCC[C@@H](C)CNC(=O)NNc1cccc(-c2nn[nH]n2)c1	1591397761	CGGLBWOSBXKZLF-SNVBAGLBSA-N	319.369	1.165	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN[C@H](C(=O)O)c1cccc(Cl)c1	1594643252	DXXVETHJVMLREW-AXTRIDKLSA-N	312.753	1.512	50	20	DDGD	
Cc1ccc(NNC(=O)c2ccc(-c3nn[nH]n3)n2C)cc1F	1592185166	LVKUTSIEKASGML-UHFFFAOYSA-N	315.312	1.410	50	20	DDGD	
COc1cc(CNC[C@H]2[C@@H](Cl)[C@@H]2C)ccc1-c1nn[nH]n1	1591535890	GXIKUYPMPRGEEI-DYLAAIIWSA-N	307.785	1.838	50	20	DDGD	
CN(C)N(C(=O)C(F)=C1CCC1)c1nc(CC(=O)O)cs1	1598256959	ZAZUQVRZGNESFD-UHFFFAOYSA-N	313.354	1.987	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1cc2[nH]c(C(=O)O)cc2o1	1776115594	DXYMQPOZSRAMRC-XBXARRHUSA-N	304.258	1.556	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)CC2CCCC2)cc1	11029485	QRQVDXDQLIWFGX-UHFFFAOYSA-N	318.373	1.880	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	158887238	QVRXCUOSHUXZFD-JTQLQIEISA-N	312.341	1.413	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)Nc2c(C)cccc2C)n1	163034106	IEONLQJVUQGNGA-UHFFFAOYSA-N	313.361	1.792	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(C(C)C)n(-c2ccccc2)n1	151231417	BKKSDEYKJKZOCS-UHFFFAOYSA-N	301.350	1.570	50	20	DDGD	
CS(=O)(=O)c1ccc(C(=O)NNc2cccc(F)c2)cc1	155011999	RZRGQQZQEAOZRA-UHFFFAOYSA-N	308.334	1.986	50	20	DDGD	
Cn1cnc2cc(C(=O)NNC(=O)c3ccccc3O)ccc21	156185318	ZDRAZFBXWNFOQV-UHFFFAOYSA-N	310.313	1.354	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(Cl)cn1C	154058881	BEZPCCYFNBGOJI-UHFFFAOYSA-N	306.844	1.150	50	20	DDGD	
CC(C)Cc1ccc(C(=O)NNc2ccc(C(N)=O)nn2)cc1	154286924	WNMWGOCFMIWREM-UHFFFAOYSA-N	313.361	1.531	50	20	DDGD	
N#Cc1cc(F)c(C(=O)NNC(=O)Cc2ccncc2)c(F)c1	154731227	BOYMSIBPLHUCQV-UHFFFAOYSA-N	316.267	1.235	50	20	DDGD	
C=C(C)CNC(=S)NNC(=O)c1cc(OC)cc(OC)c1	7638231	MPKBPYHKJHVVIQ-UHFFFAOYSA-N	309.391	1.389	50	20	DDGD	
C=CCCC(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1	102897222	HSLXBBJGXTUBMI-UHFFFAOYSA-N	309.391	1.537	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cc2ccccc2cc1O	103424271	JIBNVZNMXAPFPD-UHFFFAOYSA-N	321.336	1.944	50	20	DDGD	
CN(C)C(=O)NNC(=O)COc1cc(Cl)cc(Cl)c1	172907558	JOQABUDCEOVUNZ-UHFFFAOYSA-N	306.149	1.675	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNc2ccc(C#N)cc2)c1	119647870	IQNVCYFWILAWHT-UHFFFAOYSA-N	310.313	1.649	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CC2(O)CCCC2)n1	119655193	VPYPDEFQTPLHJA-UHFFFAOYSA-N	307.398	1.461	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(C)n(C(C)(C)C)n2)o1	176208774	YQLQVQJYTQPSGJ-UHFFFAOYSA-N	304.350	1.923	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCN(CC2CCCCC2)CC1	109834452	KGCPDWGRGXGNLP-CQSZACIVSA-N	324.469	1.130	50	20	DDGD	
Cc1[nH]c(-c2ccccn2)n/c(=N/NC(=O)c2ccnn2C)c1C	114891414	KHDDOOYZZPGPKO-UHFFFAOYSA-N	323.360	1.068	50	20	DDGD	
C[C@@H](CC1CCCC1)C(=O)NNC(=O)CNC(=O)c1ccco1	114258487	FMHKQXGXXBGYIP-NSHDSACASA-N	321.377	1.373	50	20	DDGD	
CC(=O)NNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccc(Cl)c1	115707746	XZTQDEBCZNELLA-YPMHNXCESA-N	309.753	1.027	50	20	DDGD	
O=C(Cc1cccc(F)c1)NCC(=O)NNc1ccccc1	111554910	CFCUBEJFHYHSAR-UHFFFAOYSA-N	301.321	1.628	50	20	DDGD	
CCN1CCC(NC(=O)NNC(=O)Cc2ccccc2F)CC1	66976178	QFBNATBKLHCLHJ-UHFFFAOYSA-N	322.384	1.183	50	20	DDGD	
CCCN(CC)c1ccc(C(=O)NNC(=O)CN(C)C)cc1	113427710	UYYPXWQGNVXXQY-UHFFFAOYSA-N	306.410	1.246	50	20	DDGD	
CCCC[C@@H](NC(N)=O)C(=O)NNC(=O)c1ccc(CC)cc1	68516401	SFWINBDTFNMONE-CYBMUJFWSA-N	320.393	1.237	50	20	DDGD	
CC(=O)Nc1ccc(CNC(=O)NNc2cccnn2)cc1	172486517	GHAWSKUZDVGSAN-UHFFFAOYSA-N	300.322	1.261	50	20	DDGD	
O=C(NCCCN1CCc2ccccc21)NNc1cccnn1	172485683	RPLGSGXBOSMRKH-UHFFFAOYSA-N	312.377	1.556	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccn1C)n1cnc2ccccc21	170850391	HQGUOTKLRFMMLC-LLVKDONJSA-N	311.345	1.397	50	20	DDGD	
CSSCCNS(=O)(=O)c1ncn(C)c1Cl	284588221	HQCHVNWICVHFPN-UHFFFAOYSA-N	301.846	1.363	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc(-n2nnnc2C)c1	183716584	GOMXSALONMFLGT-SECBINFHSA-N	317.353	1.170	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)no1	70695654	SWXITQXNBJYHNY-UHFFFAOYSA-N	303.318	1.440	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)N[C@@H]1CCCOCC1	181812358	NYLLVIJOIFQWLX-GFCCVEGCSA-N	309.341	1.268	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@H]2CCCc3sccc32)cn1	124554851	BJEBXHGXRIGIGV-NSHDSACASA-N	304.375	1.363	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=O)Cc1nc2ccccc2n1C	184279089	QQQAOLYUBSLOFQ-UHFFFAOYSA-N	312.373	1.313	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)CN(C)C(C)C)c1	125719164	SJBKRKRJXMJLFG-UHFFFAOYSA-N	307.394	1.170	50	20	DDGD	
CSc1nc(C)c(CCC(=O)NNC(=O)C(C)(C)C)c(C)n1	77219590	BFBJGYYVDSSTJR-UHFFFAOYSA-N	324.450	1.941	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCCC1CC1	74818990	GGCKGLYPEZUPEJ-JTQLQIEISA-N	309.341	1.724	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1ccc2[nH]ncc2c1	126147399	RFFWISLKOQTSMI-UHFFFAOYSA-N	317.349	1.085	50	20	DDGD	
O=C(Cc1cncs1)NNc1ccc(C(F)(F)F)nn1	188635388	BQXBIUFYUGOZQE-UHFFFAOYSA-N	303.269	1.638	50	20	DDGD	
CCC(C)(C)c1ccc(S(=O)(=O)NNC(=O)OC)cc1	75081379	NWLRHMVYARJGMQ-UHFFFAOYSA-N	300.380	1.924	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)nn1	123844605	SGXLHXVOAYIVND-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2c(C)cccc2C)nc(C)n1	130271862	VWXSWGSDCPGEGC-UHFFFAOYSA-N	313.361	1.792	50	20	DDGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1ccc[n+]([O-])c1	134282648	UJAVVBZANIVTEE-UHFFFAOYSA-N	313.235	1.976	50	20	DDGD	
O=C(CCO)NNC(=O)N[C@@H](c1ccccc1)C(F)(F)F	133763144	DMLHMVIDLQIIHQ-JTQLQIEISA-N	305.256	1.003	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2ccc(F)cc2F)nc(C)n1	130476109	QABGQWZRCOMBEX-UHFFFAOYSA-N	321.287	1.453	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2c(C)cccc2F)n1	134087167	JADCEXRGMISAOX-UHFFFAOYSA-N	319.340	1.800	50	20	DDGD	
O=C(CSCc1cccnc1)NNC(=O)Cc1ccncc1	81027608	GIECGNKWCJTXQH-UHFFFAOYSA-N	316.386	1.100	50	20	DDGD	
CC(=O)N1CCC(NC(=O)NNc2ccccc2Cl)CC1	43879335	BYUGQGDVMQMFED-UHFFFAOYSA-N	310.785	1.977	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2cccc([N+](=O)[O-])c2)CN1C1CC1	130200841	KCYYHJCCUCRQSS-JQWIXIFHSA-N	319.365	1.846	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CC2CCC3(CC2)OCCO3)o1	191303842	FZOHDDNGBDDQSH-UHFFFAOYSA-N	322.361	1.672	50	20	DDGD	
COC(=O)C[C@@H]1CN(C(=O)c2cccc(CCl)c2)CCO1	133038208	UJOACDKJBUEBMW-CYBMUJFWSA-N	311.765	1.830	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CCNC(=O)C(C)(C)C)c1	130897668	LRJCQEGWABJHLO-UHFFFAOYSA-N	311.357	1.830	50	20	DDGD	
Cn1cncc1CCC(=O)NNc1ccc(C(F)(F)F)cn1	193868159	WYKNOVVYBHKGHN-UHFFFAOYSA-N	313.283	1.910	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCc1ccc(Cl)cc1Cl	190064655	IORURSKTWPOQHG-UHFFFAOYSA-N	319.188	1.844	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)c1ccoc1	142840056	CMRIUEFPHMLESF-UHFFFAOYSA-N	315.245	1.139	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccn(-c2ccccc2)n1	81024703	MGOQAHOWRFEZRR-UHFFFAOYSA-N	321.340	1.271	50	20	DDGD	
CC(C)CCOCCNC(=O)NNc1ccc(Cl)nn1	195276827	PECFOZHGVOQFOR-UHFFFAOYSA-N	301.778	1.819	50	20	DDGD	
CCc1ccc(O)c(C(=O)NNC(=O)NCc2ccco2)c1	94057055	PRHZMNQPUQECAW-UHFFFAOYSA-N	303.318	1.692	50	20	DDGD	
Cc1c(CNS(=O)(=O)CBr)cccc1[N+](=O)[O-]	231876600	XQFVQJLTVOOXRU-UHFFFAOYSA-N	323.168	1.675	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CCOC2)c1C	255003359	HYWMVRAKPQIKOW-QOBZYLRHSA-N	317.389	1.563	50	20	DDGD	
CCCCOCC(=O)NNC(=O)Cn1cnc2ccccc21	265432260	SDLVKRJDMWKWMZ-UHFFFAOYSA-N	304.350	1.000	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCCCCC#N)c1ccccc1	264676330	VZSVJIZISUQROH-UHFFFAOYSA-N	302.378	1.988	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc(NC(=O)C2CC2)cc1	264824609	XXYLUAQETRJKEQ-UHFFFAOYSA-N	301.346	1.596	50	20	DDGD	
C[C@H]1CC/C(=C\C(=O)NNc2nccc(N3CCOCC3)n2)C1	268658999	XAOLSUFLHKVDIE-OWRWYXLESA-N	317.393	1.503	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2CCCc3c2cnn3C)nn1	264431234	ZMCZBHATRTVCHL-LLVKDONJSA-N	301.354	1.222	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(CNC(=O)OC)cc1	269498570	WITDKMWVRJIRHW-ZRDIBKRKSA-N	303.318	1.925	50	20	DDGD	
CCC(CC)CNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	266735234	BYFZMOBJEBXYOC-UHFFFAOYSA-N	324.337	1.681	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2	276714084	QTVHQIHQOWFFQH-JHJVBQTASA-N	302.378	1.974	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC(c2c(F)cccc2F)=NO1)C1CC1	279279623	WNANFZHTOREENK-LLVKDONJSA-N	309.272	1.015	50	20	DDGD	
O=S(=O)(CBr)NCCc1ccc(Cl)nc1	272869902	ZHEGDAXUHRHUKM-UHFFFAOYSA-N	313.604	1.549	50	20	DDGD	
CC[C@@H]1C[C@@H](C(=O)NNC(=O)c2cccc(OC)c2O)CCO1	272449852	JQDYEVHIROQSMZ-WDEREUQCSA-N	322.361	1.367	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H](C)COCC(F)(F)F)n1	272515583	IETPHQMQVAJYGP-QMMMGPOBSA-N	322.287	1.684	50	20	DDGD	
CCN(C)C(=O)[C@@H](C)NC(=O)NNc1c(F)cccc1F	276918233	OGYBXNZTPKCDTN-MRVPVSSYSA-N	300.309	1.458	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)NCCSC)c(F)c1	271285977	ORIGITAMIWMAFE-UHFFFAOYSA-N	317.411	1.306	50	20	DDGD	
CCC1(C(=O)NNc2ccc(C(=O)OC)cn2)CCOCC1	272358117	RWIBPXVNNJCENW-UHFFFAOYSA-N	307.350	1.518	50	20	DDGD	
COCCCCCNC(=O)NNc1ccc(-n2ccnc2)nn1	287659754	CROCGYLWSOQLCR-UHFFFAOYSA-N	319.369	1.105	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)N[C@@H](C)CF	289061066	FABBZIOPFRCHMY-ZETCQYMHSA-N	303.721	1.651	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	285745032	HHXKZPPSMDEKPA-CQSZACIVSA-N	317.374	1.839	50	20	DDGD	
COCC1(CNC(=O)NNC(=O)c2ccc(C#N)cc2)CCC1	281760397	CHGGKPLLBIBDJO-UHFFFAOYSA-N	316.361	1.319	50	20	DDGD	
COc1ccnc(NNC(=O)NCCc2cccc(C)n2)n1	281504139	IIUGMEASIPFVSZ-UHFFFAOYSA-N	302.338	1.057	50	20	DDGD	
COCCN(C)NC(=O)Cc1csc(-c2ccc(C)o2)n1	288281749	ARUSDAPQJQZDOY-UHFFFAOYSA-N	309.391	1.863	50	20	DDGD	
CN(CCNC(=O)NNc1cccc(F)n1)CC(F)(F)F	286663908	KGNVFVIDHBSKBC-UHFFFAOYSA-N	309.267	1.341	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)CC(C)(C)O)c1	283698892	QJPLVIXQPLSVGY-UHFFFAOYSA-N	315.757	1.662	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1ccc(C#N)cc1F	285089068	GTCFJLWOJUGWOI-UHFFFAOYSA-N	313.379	1.763	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)/C=C/CN(C)C)c(Cl)c1	283663087	FJEDFWFWPFTPIH-SNAWJCMRSA-N	310.785	1.919	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cnn(Cc2ccccc2)c1C	286280111	IRAFBUIMTKYZHG-UHFFFAOYSA-N	302.334	1.583	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)c1ccc2ccccc2n1	282743109	RWFRXMFNCVZTGJ-RWSFTLGLSA-N	313.357	1.809	50	20	DDGD	
CC(=O)Nc1ccc(C)c(C(=O)NNC(=O)[C@H]2CCCCO2)c1	295298646	DZBGZFMTFZRHIG-CQSZACIVSA-N	319.361	1.284	50	20	DDGD	
CCC(CC)n1nc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1C	294497058	CPDFIRSHRADNRG-ZDUSSCGKSA-N	308.382	1.493	50	20	DDGD	
CSc1cccc(NC(=O)NNC(=O)c2ccccn2)n1	806781829	SHVYZWJXEUYCRC-UHFFFAOYSA-N	303.347	1.665	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC[C@H]2CCCOC2)cc1	298964216	YMIDKGPLPAKCOY-CYBMUJFWSA-N	321.377	1.131	50	20	DDGD	
C[C@H]1CC(=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc21	807966823	QYTJPXWBPOHVCU-WDEREUQCSA-N	321.402	1.384	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1cccc(NC(C)=O)c1	293806517	BTZFYKIDPMTZFJ-LLVKDONJSA-N	309.366	1.530	50	20	DDGD	
O=C(NNC(=O)c1cc(F)cc2nc(S)[nH]c12)NC1CC1	299263890	WJVVPAHYYKYRLV-UHFFFAOYSA-N	309.326	1.097	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCc2c1ccc(OC)c2F	807975532	USHIJJBFNIECTD-SNVBAGLBSA-N	324.352	1.652	50	20	DDGD	
CC1(C)CN(CC(=O)NNC(=O)C2CC2)Cc2ccccc2O1	808791421	WOMXGPSDCPRVKD-UHFFFAOYSA-N	317.389	1.217	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2c(C)nsc2NC2CC2)[nH]n1	294405448	DRZPXQPJYNZGPG-UHFFFAOYSA-N	320.378	1.132	50	20	DDGD	
C[C@@H]1CCC[C@@](CNC(=O)NNc2ccncn2)(N(C)C)C1	296410234	LBPRFOIHUQSFBM-IUODEOHRSA-N	306.414	1.613	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1ccc(-c2nc(=O)o[nH]2)cc1	807749493	UKMGCIHPZOAMBJ-UHFFFAOYSA-N	315.264	1.321	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(Cl)s1)[C@@H]1CCCCO1	296663012	FPDSIMQTKFMLQW-ZETCQYMHSA-N	324.811	1.280	50	20	DDGD	
CSC1(C=NNC(=O)c2cccc(S(C)(=O)=O)c2)CC1	800810696	SMSQKNOJYWLNQZ-UHFFFAOYSA-N	312.416	1.701	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2cc(C(F)(F)F)ccn2)n1	295411283	SLAXQBUEFUEELF-UHFFFAOYSA-N	314.271	1.777	50	20	DDGD	
O=C(CCCNC(=O)c1ccsc1)NNc1ncccc1F	804215501	SYCBEIKIQOHCKV-UHFFFAOYSA-N	322.365	1.936	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)COc2ccccc2O)no1	294560709	JJRSZOHXGULFEM-UHFFFAOYSA-N	319.317	1.173	50	20	DDGD	
CCc1csc(CC(=O)NNC(=O)Cc2ccncc2)n1	801165194	RDIMHKIVOVBLCC-UHFFFAOYSA-N	304.375	1.033	50	20	DDGD	
C[C@H]1CN(Cc2ccccc2)C[C@H]1CNS(=O)(=O)CCl	708560607	IHHHJKYWKFHSPJ-GXTWGEPZSA-N	316.854	1.870	50	20	DDGD	
COc1cccc(CCCNC(=O)NNc2ccncn2)c1	296248483	GFLCKNDBAMDMKW-UHFFFAOYSA-N	301.350	1.744	50	20	DDGD	
C[C@@H]1CSC[C@H]1NC(=O)NNC(=O)c1ccc(C#N)cc1	805027659	QBGRFGNHXGXDMF-BXKDBHETSA-N	304.375	1.254	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1c(C)nsc1NC1CC1	815505883	BBHHGKWZUQGLHV-UHFFFAOYSA-N	320.378	1.132	50	20	DDGD	
Cn1ncc2ccc(CNC(=O)NNC(=O)c3ccccc3)cc21	812870052	UWWDXJZPZFRLMU-UHFFFAOYSA-N	323.356	1.718	50	20	DDGD	
C[C@@H](CCS(C)(=O)=O)NC(=O)NNc1cccc(Cl)n1	814312248	ANEICLXPBNZKHV-QMMMGPOBSA-N	320.802	1.184	50	20	DDGD	
CCC(=NNC(=O)Cc1cc[nH]n1)c1ccc(C(=O)O)cc1	814954549	IHNGCIBIWQGQAN-UHFFFAOYSA-N	300.318	1.581	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)C[C@](C)(O)C2CC2)c1	819557118	LRJQSYOTPMBQFJ-INIZCTEOSA-N	320.393	1.774	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNc2ncncc2F)cc1O	817079484	SNJAKJUODUECQV-HYXAFXHYSA-N	304.281	1.486	50	20	DDGD	
O=C(NNc1ncncc1F)c1cnc(-c2cccnc2)s1	817078437	DXEVMCQLORQFKP-UHFFFAOYSA-N	316.321	1.891	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NN=Cc2cn(C)nc2O)c1	814213804	UPEMVCMDJKYLOV-UHFFFAOYSA-N	302.334	1.272	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1	819880351	QRIAFYNOYVZZFN-UQSGXBNBSA-N	305.300	1.573	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCO[C@@H](c2ccccc2)O1)c1ccc[nH]1	816824090	OTYGYILOMUPBBZ-CZUORRHYSA-N	315.329	1.280	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CN2CCCC2=O)c1	725907509	GKWGSKGMMDBRFZ-UHFFFAOYSA-N	320.418	1.243	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCCC[C@@H]1COC(=O)NC(C)C	490941452	LBDJOJIUKSYWAM-JWAFFJSPSA-N	323.393	1.946	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cnc(Cc2ccc(F)cc2)s1	823959832	QHCGIJWLEWGYCM-SNVBAGLBSA-N	323.393	1.830	50	20	DDGD	
C[C@H]1C[C@@H]1C=NNC(=O)COc1ccccc1-c1nn[nH]n1	820666231	HFLMRBSZDJYCAZ-VHSXEESVSA-N	300.322	1.004	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@]2(c3ccccc3)CC2(C)C)cn1	828087066	BOUOBXOCNYCMBG-KRWDZBQOSA-N	312.373	1.549	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=S)NCCc1cccs1	820168727	HMAFDJSHQIKGMV-UHFFFAOYSA-N	315.464	1.459	50	20	DDGD	
C[C@@H]1CCCC1=NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1	729140777	MFHVQQCBLWUWHJ-LLVKDONJSA-N	323.418	1.843	50	20	DDGD	
CCCNC(=O)NN=C(C)c1cccc(NS(C)(=O)=O)c1	729817111	ZKLYGYWCTDEKSO-UHFFFAOYSA-N	312.395	1.491	50	20	DDGD	
COC(=O)NNC(=O)c1cccnc1SCc1cc(C)on1	490541601	LTZFHKDNNDLBGC-UHFFFAOYSA-N	322.346	1.671	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccccc1[S@@](=O)C(F)(F)F	823384788	USPILTZLDIAXCU-HXNGOWOSSA-N	324.324	1.271	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H](O)c1ccc(Cl)c(Cl)c1	822782159	PNXUCSWUYOGFBI-SECBINFHSA-N	306.149	1.377	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)NC1CCC1	494024747	UMVNIKXZYFKDJF-UHFFFAOYSA-N	314.386	1.174	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc2ccn(C)c(=O)c2c1	495672188	JQQKYMALWJFPOJ-UHFFFAOYSA-N	304.306	1.321	50	20	DDGD	
CCOC(=O)Nc1scnc1C(=O)NNc1cccnn1	496891620	OBVLFPGUNBLZKC-UHFFFAOYSA-N	308.323	1.258	50	20	DDGD	
C[C@@H](C(=O)NN(C)[C@H](C)CO)c1ccc(Br)cc1	823940556	ZMWNTJCXHGEECR-NXEZZACHSA-N	315.211	1.896	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)NNc1ccc(C#N)c(Cl)c1	907347995	NAZNQDASOCOUSK-GFCCVEGCSA-N	306.753	1.666	50	20	DDGD	
CCN(CCO)NC(=O)CNc1cc(Cl)ccc1OC	823852565	JSLZZVWMTZALJW-UHFFFAOYSA-N	301.774	1.106	50	20	DDGD	
CC(C)(CNC(=O)[C@@]1(C)C[C@@H]1Br)S(C)(=O)=O	906906787	KSOLWMRYTCDKSX-XVKPBYJWSA-N	312.229	1.099	50	20	DDGD	
COc1ccc(NNC(=O)C[C@@H](CNC(C)=O)CC(C)C)nc1	829674625	XTPMEOVZHCRFAB-ZDUSSCGKSA-N	322.409	1.722	50	20	DDGD	
CCN(C(C)=O)c1ccc(NC(=O)NNC(=O)C(C)(C)C)cn1	824582183	XYSFSEIHQZOODB-UHFFFAOYSA-N	321.381	1.653	50	20	DDGD	
C=C(CI)n1cc([C@@H](N)CCC)nn1	900641092	JWIHHIAKGQPXOC-QMMMGPOBSA-N	306.151	1.984	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCc1nc(-c2ccsc2)no1	823982744	CWUXZMKUCMVOKJ-SECBINFHSA-N	310.379	1.075	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC1(C(N)=O)C2CC3CC(C2)CC1C3	490969710	FJHAAFAIVXFQBS-FMIVXFBMSA-N	317.389	1.227	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1cn(C)nc1C	494726126	LZCPIVIFKXMIPS-UHFFFAOYSA-N	309.370	1.093	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CSC[C@@H]1CCCCO1	491099286	ZZUBSEROJZBOJU-JTQLQIEISA-N	304.412	1.845	50	20	DDGD	
C=CC[C@@H](C)NC(=O)NNC(=O)c1cc(OC)cc(OC)c1	735113669	RAKUZNOHKFZOKN-SNVBAGLBSA-N	307.350	1.612	50	20	DDGD	
CCC[C@@H](C)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C	491440778	OQSIAHSEQUBUET-SNVBAGLBSA-N	316.402	1.278	50	20	DDGD	
C#CCN(CC(=O)NNC(=O)C(C)(C)C)Cc1ccc(F)cc1	490851780	IGGZBIUHPRGXEA-UHFFFAOYSA-N	319.380	1.454	50	20	DDGD	
O=C(NNc1nccc2sccc12)[C@@H]1CCS(=O)(=O)C1	734250377	WSTUHCPLXHUNTE-MRVPVSSYSA-N	311.388	1.174	50	20	DDGD	
CCN1C[C@@H](NC(=O)[C@@H](Br)C(C)(C)C)CC1=O	836849534	JFOZKICPVHPWAK-WCBMZHEXSA-N	305.216	1.533	50	20	DDGD	
CC(=O)NNC(=O)[C@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C	497114349	HBPZDACQXRWYNK-NSHDSACASA-N	315.414	1.825	50	20	DDGD	
CSCCNC(=S)NNC(=O)C1CCC2(CC1)CC2	831575375	HUZXNSJETDYBON-UHFFFAOYSA-N	301.481	1.815	50	20	DDGD	
OB(O)c1ccc(CNCC2(c3ccccc3F)CCC2)o1	585048983	ZONBSCXZMHEHCB-UHFFFAOYSA-N	303.142	1.310	50	20	DDGD	
CCO[C@@H](CCNCc1cccc(B(O)O)c1)C1CCCC1	585026734	QZCHDADOAKSXHT-KRWDZBQOSA-N	305.227	1.441	50	20	DDGD	
CCOCC(=O)NN=Cc1c(C)nn(CC(C)C)c1OCC	731154471	NDANBWDXRZXQHZ-UHFFFAOYSA-N	310.398	1.733	50	20	DDGD	
COc1cc(C=NNC(=O)c2cnn(C)c2)ccc1OC(C)=O	735411091	KRLOLGIMSYDENZ-UHFFFAOYSA-N	316.317	1.118	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCCCO2)c(C(F)(F)F)o1	833241881	GAXFYANHMFMZGG-SECBINFHSA-N	320.267	1.937	50	20	DDGD	
CC(=O)N1CC[C@@](C)(C(=O)NNc2cccc(C(=O)O)c2)C1	833393578	RGRSWDKRNRDTRC-OAHLLOKOSA-N	305.334	1.086	50	20	DDGD	
CN1C(=O)CC[C@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	832968133	HVQHIMJOCYULNJ-QMMMGPOBSA-N	302.256	1.164	50	20	DDGD	
Cn1nc(C(=O)NCC(Cl)Cl)c2ccccc2c1=O	837652150	VJMFLJDGGUKBKI-UHFFFAOYSA-N	300.145	1.467	50	20	DDGD	
Cn1c(NNC(=O)C2(C)CCOCC2)nc2ccccc2c1=O	733261098	JXHCAKRQMNYEGW-UHFFFAOYSA-N	316.361	1.193	50	20	DDGD	
C[C@H]1CCCC1=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	736258510	BHLCQOJSBRMHHB-JTQLQIEISA-N	314.349	1.538	50	20	DDGD	
C[C@H]1CC[C@@H](CNC(=O)NNC(=O)c2cccc(C#N)c2)O1	838745297	ODZIXZPIKBBBTP-GWCFXTLKSA-N	302.334	1.070	50	20	DDGD	
CCn1ccnc1C(C)=NNC(=O)C(=O)Nc1ccc(C)cc1	834934038	BAUFRZZXEGYTST-UHFFFAOYSA-N	313.361	1.690	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)c1ccc(NC(=O)O)cc1	738374397	YVGKDEFIDVGXAW-UHFFFAOYSA-N	320.330	1.616	50	20	DDGD	
NNC(=O)CSCc1nc(O)c2c3c(sc2n1)CCCC3	916665785	RVPOEZIWARPLFE-UHFFFAOYSA-N	324.431	1.499	50	20	DDGD	
CC/C=C\CNC(=O)NNC(=O)COc1ccc(C)c(C)c1	838657297	DLKFUAHSKUOBOQ-WAYWQWQTSA-N	305.378	1.979	50	20	DDGD	
CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NNC(=O)C(C)C	732653823	KGPZHMWBNNGVPE-CQSZACIVSA-N	319.405	1.317	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNc1ccc2c(=O)[nH]ccc2c1	839759465	AMRULRLINWEAGO-LBPRGKRZSA-N	317.345	1.561	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)N[C@H]1CC12CCOCC2	836613113	PHHUVTZPAOXRFI-JTQLQIEISA-N	319.390	1.887	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C)c(C)c1)c1cnn(C)n1	834922767	MMTQHMLUISCYES-UHFFFAOYSA-N	301.350	1.351	50	20	DDGD	
N#Cc1ccc(N2CCN(S(=O)(=O)CCl)CC2)c(F)c1	830331722	YTFYQUIJEMOKOT-UHFFFAOYSA-N	317.773	1.345	50	20	DDGD	
COc1ccc(SC)c(OC)c1C(=O)NN(C)C[C@@H](C)O	910156634	VETIUDGEJOEPFS-SECBINFHSA-N	314.407	1.383	50	20	DDGD	
CC1CCN(C[C@H](C)C(=O)NN=Cc2ccc(O)cc2O)CC1	916363708	SBEORZOHGWCKDB-ZDUSSCGKSA-N	319.405	1.916	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNc2ccnc(N(C)C)n2)c1	740104287	GYUJJBGKSYPTEB-UHFFFAOYSA-N	315.333	1.086	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSc1ccc(C#N)cc1F	742453970	OWFJESMZPRPDBY-UHFFFAOYSA-N	309.366	1.983	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@]1(N(C)C)CCC[C@@H](C)C1	919658249	JJABEAQWPSBHBY-CZUORRHYSA-N	312.458	1.873	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1c[nH]nc1-c1ccccc1	843978089	VNTSXRXTCRUHAV-CMPLNLGQSA-N	314.345	1.263	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1	746096078	ORCDVBQSCFTURW-GFCCVEGCSA-N	324.425	1.154	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)NNC(=O)c1cccc2ccccc12	741576479	UIJJLUVAWWUWIE-UHFFFAOYSA-N	313.357	1.516	50	20	DDGD	
O=C(N[C@H]1C[C@@H](C(=O)O)C1)[C@@]12CC[C@@H](C[C@H]1Br)C2	840943736	AAZKMULAPZXNMJ-HQUHEKEPSA-N	316.195	1.920	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNc1cc(O)nc2ncccc12	913989606	KDGPTSTUMISWIT-RWEMILLDSA-N	302.334	1.592	50	20	DDGD	
CC(Cl)(Cl)C(=O)NNc1ncc(Br)cn1	848321886	HNWPZOLCWQGDNH-UHFFFAOYSA-N	313.970	1.876	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNC(=S)NCC1CCC1	912105605	GJOWMUXNPVEZRG-NOZJJQNGSA-N	321.450	1.371	50	20	DDGD	
O=C(NNC(=O)c1cnccc1C(F)(F)F)NC1CCCC1	847400907	ANWDSGSEXCSZJZ-UHFFFAOYSA-N	316.283	1.987	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)COc1ccc(C#N)cc1	916299995	GVEZHSSPHDWUDV-UHFFFAOYSA-N	311.345	1.438	50	20	DDGD	
O=C(CC1CC1)NNC(=S)N[C@H]1CCc2ccccc2C1	840764327	SDMCICJWJDIDHA-AWEZNQCLSA-N	303.431	1.839	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@H](C)c2ccc(C)o2)n1	742480183	GXLCWSSUXNJABA-GFCCVEGCSA-N	304.350	1.352	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@H]1CCCC(F)(F)[C@@H]1O	841567937	YZPBAAZSJYTPOP-DTWKUNHWSA-N	305.774	1.474	50	20	DDGD	
C/C(=C\C(=O)NNc1nnc(C)c(O)n1)c1ccc(F)cc1	749262709	ZGRYKZMQUDBHRK-BQYQJAHWSA-N	303.297	1.571	50	20	DDGD	
CC1=C(C)C[C@H](C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)CC1	843519368	DFXVVVZMGKKWII-KGLIPLIRSA-N	314.451	1.615	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cccc3c2OCO3)n1	747982780	CUDKCQDQBDUBRQ-UHFFFAOYSA-N	306.709	1.924	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1F)N[C@H]1CCN(C2CC2)C1	918883878	RNAONJUEEDODRT-VIFPVBQESA-N	314.311	1.967	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNc1ncnc(Cl)c1C(C)C	840547367	MMNILZDUWRWREE-QMMMGPOBSA-N	314.773	1.896	50	20	DDGD	
C[C@H]1OC(=O)N[C@@H]1C(=O)NNc1ccc(C(F)(F)F)cc1	841408531	MAAWCQOHIPSRIG-MUWHJKNJSA-N	303.240	1.645	50	20	DDGD	
CC[C@H](Oc1cccc(C)c1)C(=O)NNc1nnc(C)c(O)n1	749524561	XUEOSXSSCMAOQL-LBPRGKRZSA-N	317.349	1.495	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cn1	848353153	YGTWBXQWJQKNNN-MMJTVPDGSA-N	313.405	1.460	50	20	DDGD	
CCn1ccc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)n1	843752996	HMEKKBXIPTVVJK-UHFFFAOYSA-N	316.361	1.360	50	20	DDGD	
CNC(=O)NN=C1C(=O)N(Cc2ccccc2)c2ccccc21	920379205	PXJFQECYVRFUCJ-UHFFFAOYSA-N	308.341	1.867	50	20	DDGD	
CCCCCCCNC(=O)NNC(=O)CNC(=O)c1ccco1	858113715	WLXOJOLGEXXBTO-UHFFFAOYSA-N	324.381	1.310	50	20	DDGD	
O=C1NCC[C@H]1C(=O)NNc1nc2ccc(Cl)cc2s1	856236994	SFULHNPCQQDYPL-SSDOTTSWSA-N	310.766	1.529	50	20	DDGD	
O=C(NCCN1CCNC1=O)NNc1ccc(F)cc1Cl	924047742	XULZZQRYUJBVFA-UHFFFAOYSA-N	315.736	1.130	50	20	DDGD	
Cc1nn(-c2ccc(Cl)cc2)cc1C=NNC(=O)CN(C)C	755689895	UDFGYHKDVOZDIA-UHFFFAOYSA-N	319.796	1.846	50	20	DDGD	
COc1ccc(C)cc1NC(=O)NNC(=O)c1c[nH]nc1C	755390217	ZZALQUFDEDVIRJ-UHFFFAOYSA-N	303.322	1.502	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cc(-c2ccco2)on1)C1CC1	751621359	UJPONFZRQHGEJX-QMMMGPOBSA-N	320.374	1.842	50	20	DDGD	
C=CCCOCC(=O)NNC(=O)CSc1ccc(C)cc1	920431696	NLGAMVMGCBERAN-UHFFFAOYSA-N	308.403	1.827	50	20	DDGD	
COCCCNC(=O)NN=Cc1n[nH]nc1-c1ccccc1	755667939	FDAZYRJFCRUUSC-UHFFFAOYSA-N	302.338	1.141	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)N2CCOCC2)C[C@@H]1C	758115671	HHESIOWIWRXMEV-AAEUAGOBSA-N	311.382	1.384	50	20	DDGD	
O=C(NNC(=O)[C@]1(C2CCCC2)CCNC1=O)c1ccccc1	858101199	DALPQZKNJWXHTF-KRWDZBQOSA-N	315.373	1.144	50	20	DDGD	
CN(C)C1(CNC(=O)NNc2ncnc3ccsc23)CC1	923004678	FQEDKXNYGYTKEH-UHFFFAOYSA-N	306.395	1.412	50	20	DDGD	
O=C(NCCCO[C@@H]1CCOC1)NNc1ccc(Cl)cn1	852198997	DUCNYHOWZGKWDR-LLVKDONJSA-N	314.773	1.557	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)o1	853372058	HZVQKGAACINUCY-ZIAGYGMSSA-N	316.361	1.940	50	20	DDGD	
C#CCN(C)CCCNC(=O)NC[C@@]1(C)C[C@H]1Br	856858608	DXUGKNBIGAWVRT-DGCLKSJQSA-N	316.243	1.414	50	20	DDGD	
CN(NC(=O)CCc1ccccc1N1CCOCC1)C1CC1	854985428	RKERXAJRTABZLL-UHFFFAOYSA-N	303.406	1.581	50	20	DDGD	
CCCOC(=O)CCNC(=O)NC[C@@]1(C)C[C@@H]1Br	856900233	VAGDXQRKQMGBKZ-JOYOIKCWSA-N	321.215	1.802	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)c1cnc2nccnc2c1	758823078	GBTFOSDKHCWCRF-UHFFFAOYSA-N	311.276	1.239	50	20	DDGD	
CC(C)[C@@H]1CCCN(C(=O)NNC(=O)c2cccc(F)n2)C1	852709922	HNBVTTXSKXKUPA-LLVKDONJSA-N	308.357	1.943	50	20	DDGD	
CN[C@@H]1CCCN(C(=O)NC[C@]2(C)C[C@@H]2Br)C1	857105227	GXGMMCJGCHYNTG-SCVCMEIPSA-N	304.232	1.553	50	20	DDGD	
CN(CCC(=O)NNC(=O)CC(F)(F)F)C1CCCCC1	855000069	AOBHHYMEUIMOJR-UHFFFAOYSA-N	309.332	1.741	50	20	DDGD	
C=C(C)[C@@H](CC(=O)NNC(=O)c1ccc(Cl)nc1)OCC	755545044	WJZLQAVLBAYFGY-LLVKDONJSA-N	311.769	1.867	50	20	DDGD	
O=C(NCC[C@H]1C[C@H]2CC[C@H]1O2)NNC(=O)c1cccc(F)n1	852377711	PWEIXRQUTGQTOH-HOSYDEDBSA-N	322.340	1.122	50	20	DDGD	
Cc1ncc(S(=O)(=O)NC[C@@]2(C)C[C@@H]2Br)n1C	859234035	KSRGWYISHVLKPM-WCBMZHEXSA-N	322.228	1.180	50	20	DDGD	
COc1ccc(NNC(=O)C[C@](C)(O)C2CC2)c([N+](=O)[O-])c1	756005486	LNIVIPDSAGVFQP-AWEZNQCLSA-N	309.322	1.598	50	20	DDGD	
CN(C1(C(N)=O)CCCC1)S(=O)(=O)CC(C)(C)CCl	867016718	SPNRBWFAVLKXJK-UHFFFAOYSA-N	310.847	1.311	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccnn1CCC(C)C	764085722	RTMKBTLDJOYINK-NSHDSACASA-N	323.397	1.061	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1c(C)nn(CC(F)F)c1C	761144882	JEKFXOYCZJCVBF-UHFFFAOYSA-N	303.313	1.071	50	20	DDGD	
COC1CC(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)C1	861380202	XRSRIJZNLUVJSW-UHFFFAOYSA-N	306.366	1.648	50	20	DDGD	
CC(CCc1ccc(F)cc1)=NNC(=O)CS(C)(=O)=O	863188625	YZFBHTAVVKYNPC-UHFFFAOYSA-N	300.355	1.295	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2cnn(C3CCCC3)c2)CC1	867070174	OLAXAZAOQYISBZ-UHFFFAOYSA-N	306.391	1.843	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccnn1CC1CCC1)C1CC1	869219639	ZSNCALCSKCSRQD-SNVBAGLBSA-N	321.450	1.591	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](C)Cn2ccc(C)n2)c1	867292612	QXRCEOYYCXNTBM-LLVKDONJSA-N	316.361	1.758	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)CCCCC2=O)c1cn[nH]c1	862470548	QPRNLHMNMWFSOF-UHFFFAOYSA-N	312.329	1.394	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)NCC(F)(F)F)cc(Cl)n1	935802812	PFVFUNVVDYCJTL-UHFFFAOYSA-N	324.690	1.804	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCOCC12CCCC2	762927701	ULTVGLYWPMMZTM-ZDUSSCGKSA-N	311.426	1.213	50	20	DDGD	
COC(=O)c1cccc(CCNC(=O)NNc2cccnn2)c1	769009485	SDLUHTQWJOIFGK-UHFFFAOYSA-N	315.333	1.132	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2ccccc2S(C)(=O)=O)no1	765175974	JUVWSPUQRJAYNS-UHFFFAOYSA-N	323.374	1.958	50	20	DDGD	
Cc1nnnn1-c1ccc(C(=O)NN[C@H](C)C(F)(F)F)cc1	862322057	DOSGQXCSTLOZSV-SSDOTTSWSA-N	314.271	1.156	50	20	DDGD	
C[C@@H](c1ccccc1F)[C@@H](O)C(=O)NNC(=O)OC(C)(C)C	864428880	JZMLGHVPNWUVPY-JOYOIKCWSA-N	312.341	1.846	50	20	DDGD	
O=C(CN1CCC2(CCOC2)CC1)NNC(=O)c1cccs1	761058832	NZLSWWXQKCLQAG-UHFFFAOYSA-N	323.418	1.012	50	20	DDGD	
Cc1sc(=O)n(CCC(=O)NN[C@@H](C)C(F)(F)F)c1C	862313714	NBCCYOUHDCOXIU-QMMMGPOBSA-N	311.329	1.488	50	20	DDGD	
CCN(CC)CCN1C(=O)C(=NN(C)C(N)=O)c2ccccc21	767904131	LBVZDQKBIVNBKG-UHFFFAOYSA-N	317.393	1.090	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H]1CCSC1	762153419	UKSLYODUBJUKEN-SECBINFHSA-N	311.432	1.766	50	20	DDGD	
COCCOCC(=O)NN=C1CSCCc2ccccc21	872401648	DBEBRBKFYQLLBV-UHFFFAOYSA-N	308.403	1.459	50	20	DDGD	
O=C(NNC(=O)[C@@]1(F)CCOC1)c1ccc2ccccc2c1	1117705063	LUMGAFSWBJJMRN-MRXNPFEDSA-N	302.305	1.729	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H](C)CN2CCC(C)CC2)cc[nH]1	875741518	DQSIHEOCJXXJOQ-AWEZNQCLSA-N	305.426	1.558	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C2(COC)CC2)c1	874949884	HOAGQFVBMBWQIQ-UHFFFAOYSA-N	303.387	1.412	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1c(C)[nH]c2ccc(Cl)cc12	779817865	WSLSIBHLIRPRGE-UHFFFAOYSA-N	322.752	1.936	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cnc(C(F)(F)F)nc1	777770235	WXKRELORQFOTNB-UHFFFAOYSA-N	321.328	1.403	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)Nc1ccc(C(=O)O)cc1	770604541	ADDNYKMEDPFBGT-UHFFFAOYSA-N	315.333	1.836	50	20	DDGD	
CC(C)(C)[C@H](NC(=O)NNC(=O)c1cccnn1)C(F)(F)F	879261511	LMGPSSPPLMLQBG-VIFPVBQESA-N	319.287	1.398	50	20	DDGD	
CCC[C@@H]1C[C@H](C(=O)NNC(=S)NCCSC)CCO1	779948197	SNWMNOOVFWACGN-GHMZBOCLSA-N	319.496	1.440	50	20	DDGD	
N#CSCCCNC(=O)c1cn(Cc2cccc(F)c2)nn1	773584664	IEJOVOVOACWMMX-UHFFFAOYSA-N	319.365	1.800	50	20	DDGD	
O=C(NCCN1CCc2ccccc21)NNc1ccc(F)cn1	1122196811	QILWCEPYNALZIJ-UHFFFAOYSA-N	315.352	1.910	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1Cc2ccccc21	772159189	IRTZMCHRTFVJAK-BXUZGUMPSA-N	318.373	1.452	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNC(=O)C1CCOCC1	883066980	PSNNVDWOQGSAKC-NEPJUHHUSA-N	308.403	1.734	50	20	DDGD	
CC[C@@H](CO)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	779723012	BGOXLVRSLWZCSK-ZETCQYMHSA-N	305.161	1.773	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNc2nccc(N3CCOCC3)n2)C1	776489045	UOFAOPCBXFMXQG-NWDGAFQWSA-N	305.382	1.193	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)C1CCS(=O)(=O)CC1	777460659	SHBRVAXQEHZEAJ-UHFFFAOYSA-N	319.386	1.503	50	20	DDGD	
COCCCN(C)c1nnnn1C[C@]1(C)C[C@H]1Br	1120324272	IHFUWMCPUZIJAV-KOLCDFICSA-N	318.219	1.319	50	20	DDGD	
O=C(NCc1cnn(CC2CCC2)c1)NNc1ccccn1	1122032309	VJZOYEZXUAMOLB-UHFFFAOYSA-N	300.366	1.905	50	20	DDGD	
CC1(NC(=S)NNC(=O)c2cccc(OC(F)F)c2)CC1	789218278	AFKIOHFUJGZOQT-UHFFFAOYSA-N	315.345	1.949	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@]2(C)CCOC2)c1	780829013	PXEVZZUCQRIDEH-HNNXBMFYSA-N	307.350	1.526	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)[C@@H]1CCc2nccn2C1	787999310	KJYQGADMRSLYKV-GFCCVEGCSA-N	307.357	1.559	50	20	DDGD	
O=C(NNc1ccc(F)cc1Cl)C1CCS(=O)(=O)CC1	885135637	IGQSNDXBNUCRJG-UHFFFAOYSA-N	320.773	1.747	50	20	DDGD	
O=C(NN=CC[C@@H]1CCCCC12OCCO2)N1CCOCC1	788713446	ZDCMVPAQDKXAEW-ZDUSSCGKSA-N	311.382	1.337	50	20	DDGD	
CSC1(C(=O)NNC(=O)COc2ccccc2O)CCC1	787335434	QBDVYZYWDPAULO-UHFFFAOYSA-N	310.375	1.204	50	20	DDGD	
N#CCC1CCN(CC(=O)NNC(=O)c2cccs2)CC1	782087920	IAXKGBOVIJBKSY-UHFFFAOYSA-N	306.391	1.135	50	20	DDGD	
N#C[C@]1(F)CCN(C(=O)NNC(=O)CCCc2ccccc2)C1	786117416	KALFIIAFPQOTFV-MRXNPFEDSA-N	318.352	1.688	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCC(=O)NCC(=O)c1cccs1	786681180	SZMYCZHAUJIYJO-IZZDOVSWSA-N	318.354	1.450	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1cccc(Br)c1O	780761580	ZUXJXGZTDFPJTC-UHFFFAOYSA-N	308.135	1.729	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)CO1	784017380	PVXFZDJAXJNUPI-ZJWDHLRQSA-N	306.406	1.775	50	20	DDGD	
Cn1nc(C(F)(F)F)cc1C(=O)NNC(=S)NC(C)(C)C	899997044	DOSWKZGZJMUUIK-UHFFFAOYSA-N	323.344	1.346	50	20	DDGD	
COC1(C(=O)NNc2cc(C#N)cc(Cl)n2)CCOCC1	786502843	DGQDEURTLWWRIO-UHFFFAOYSA-N	310.741	1.245	50	20	DDGD	
C[C@@H](CBr)COC(=O)C(C)(C)S(C)(=O)=O	785979245	CWZHYGQOXWHUEU-ZETCQYMHSA-N	301.202	1.384	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(C)c(NC(C)=O)c1C	785846714	URNMMOWMKZNMSG-UHFFFAOYSA-N	321.381	1.960	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=CC1CCC2(CC1)OCCO2	788709777	OOYJNDUTNNCXOF-UHFFFAOYSA-N	324.406	1.683	50	20	DDGD	
COc1cccc(NCC(=O)NN=C(C)c2coc(C)n2)c1	788974249	BOBYWKNNFQXZBG-UHFFFAOYSA-N	302.334	1.944	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H]1CCN1C(C)(C)C	897308931	PPTCYVYQTKHQBG-CYBMUJFWSA-N	305.378	1.789	50	20	DDGD	
CC(=NNC(=O)Cc1cccnc1)c1ccc(N)c([N+](=O)[O-])c1	799112502	RTPPKALKOIEOOA-UHFFFAOYSA-N	313.317	1.655	50	20	DDGD	
O=C(CC1OCCO1)NNC(=O)c1ccc(Cl)cc1F	793601771	MWEMRRPLKCHFRE-UHFFFAOYSA-N	302.689	1.003	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNc1ccccc1S(C)(=O)=O	793680666	GCTKFOJQKBALHH-GWCFXTLKSA-N	314.407	1.594	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)CCc1ccc(OC)cc1	795028690	XQXTUXVWXLYOAR-WBMJQRKESA-N	322.405	1.836	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)c1cc2c(s1)CCC2)C(C)C	798555684	OJYGNRWDNWSSIK-NSHDSACASA-N	305.403	1.839	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)C1CCC(O)CC1	792160738	YRULMOGMKRKIPN-UHFFFAOYSA-N	303.322	1.126	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1F)NOCC(F)F	793172486	KLFLCCRDVWPQKU-UHFFFAOYSA-N	311.647	1.620	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2cc(F)c(F)c(F)c2)CC1	790178538	ARSFPIOAXJSGKU-UHFFFAOYSA-N	300.284	1.395	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(=O)c2ccc(F)cc2o1	794758023	ADUIBIPCKQRLBH-UHFFFAOYSA-N	321.333	1.227	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1ccccc1Cl)N(C)C1CC1	1318552311	WYPSDVTWVRGVIV-JTQLQIEISA-N	324.812	1.767	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCC[C@@H](N2CCOCC2)C1	394597044	KRGUGRTXNAPLLL-CYBMUJFWSA-N	324.874	1.132	50	20	DDGD	
O=C(NNc1ccncn1)[C@H]1CCCCN1Cc1ccncc1	1324544976	QNNIUAHSLBSZJY-CQSZACIVSA-N	312.377	1.369	50	20	DDGD	
O=C(NNS(=O)(=O)c1c[nH]c(C(F)(F)F)c1)C1CCC1	1323949309	SNURUYPHIUOIQZ-UHFFFAOYSA-N	311.285	1.143	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2c(C)noc2C2CC2)ncn1	1320587434	YRQRUOAZVKULQL-UHFFFAOYSA-N	316.321	1.041	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(-c2ccc(Cl)cc2)nn1C	1329806705	NNQLHBRYSWFQSJ-SNVBAGLBSA-N	322.796	1.698	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)c2cnc(C3CC3)[nH]2)cc1	1326628002	SMOBRWNNQNFSFY-UHFFFAOYSA-N	314.345	1.760	50	20	DDGD	
CN(CC1CC1)C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1328963277	MRJLUPOSZUQSBJ-BXKDBHETSA-N	303.200	1.145	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccnc(Cc2ccccc2)n1	1325187822	QNDDZCXEGMUSBF-UHFFFAOYSA-N	313.361	1.876	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)N[C@H]1C=CCCC1	1252859479	HWXCQISDACZZFP-NSHDSACASA-N	305.334	1.210	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2cccnc2)cc1	1251911127	MHYAZQCDSSWLCH-NSHDSACASA-N	315.329	1.319	50	20	DDGD	
C[C@]1(CNC(=O)N2C[C@@H]3CC[C@H](C2)N3)C[C@@H]1Br	1332552252	XFPHVRNBEWJBMH-MIZYBKAJSA-N	302.216	1.306	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc2c(nc1O)CCC(C)(C)C2	1336010061	ADTSJQCRBNAQEZ-JTQLQIEISA-N	307.394	1.260	50	20	DDGD	
N#C[C@H]1CCCN(C(=O)NNC(=O)c2cccc3cccnc23)C1	1341495878	KPAVVBYIRJTLLP-GFCCVEGCSA-N	323.356	1.825	50	20	DDGD	
COC(=O)c1ccccc1CCC(=O)NNc1ccn(C)n1	1261383836	YEQODJGWQNHRCS-UHFFFAOYSA-N	302.334	1.283	50	20	DDGD	
C[C@@H](C(=O)O)C(=O)NNC(=O)Cc1cccc2ccccc12	1602805444	VKTNRBHBOSXUFG-SNVBAGLBSA-N	300.314	1.250	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2cc(C)c(C(=O)O)[nH]2)n1	1607930135	QVIKCCTXGUYREL-UHFFFAOYSA-N	306.347	1.479	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)c1ccn2nccc2n1	1601557670	ZEMIVPQOZVSKEX-UHFFFAOYSA-N	315.264	1.324	50	20	DDGD	
C[C@@H](CN1CCCCCC1)C(=O)NN=Cc1ccc(C(=O)O)o1	1609742990	ZUVZKKXQSOCWDU-LBPRGKRZSA-N	321.377	1.940	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@H](C(=O)O)C2CCCCC2)cn1	1600946020	KHFDDURWULUPJM-GUNGLEHYSA-N	316.361	1.477	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)c1cn(C2CCC2)nn1	1601560252	WQGGBDSFEBEUJO-UHFFFAOYSA-N	319.296	1.597	50	20	DDGD	
Cc1cc(=NNC(=O)c2ccc(OCC(=O)O)cc2)cc[nH]1	1600281965	SWOMZSYKNDJAPC-UHFFFAOYSA-N	301.302	1.032	50	20	DDGD	
CC(=O)C(=O)N1CCCC2(CCN(C(=O)[C@H](F)Cl)CC2)C1	1808991556	UZGRTSGXWWEHKN-NSHDSACASA-N	318.776	1.341	50	20	DDGD	
Cc1ccc(CC=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)cc1	1549318038	ZVTYDGKXEZTRIC-HZPDHXFCSA-N	301.390	1.503	50	20	DDGD	
Cc1nocc1C=NNC(=O)[C@H]1CCCO[C@H]1c1nccn1C	1549316944	SDQDCABWRIJPJZ-QWHCGFSZSA-N	317.349	1.335	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC2(CN)CC2)c2ccccc2n1	1579565199	CWDADRYLLMTIGD-UHFFFAOYSA-N	312.373	1.433	50	20	DDGD	
C#Cc1cccc(NC(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1	1588375255	LXIUMLVHDBRORQ-UHFFFAOYSA-N	319.328	1.997	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NNc1cccc(C(=O)O)c1F	1589814356	GFIRVMASCMEYMP-NSHDSACASA-N	309.341	1.840	50	20	DDGD	
O=C(NC[C@@H]1Cc2ccccc2CN1)NNC(=O)c1ccccc1	1580670640	KEZMARPLQFPQPA-INIZCTEOSA-N	324.384	1.345	50	20	DDGD	
O=C(NNc1cccc2c1CCCC2)c1cn(C2CNC2)nn1	1580739462	GAARJFZBZGQCKB-UHFFFAOYSA-N	312.377	1.058	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2ccc[nH]2)C1	1844407875	FYMQEZFIAZTPMT-LLVKDONJSA-N	309.797	1.849	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)[C@H]1CC2CCC1CC2	1593164517	KEOICZIPOMSLIT-CBINBANVSA-N	313.365	1.531	50	20	DDGD	
CCc1nccn1[C@@H](C)CC(=O)NNc1ccc(C(=O)O)cn1	1597705810	IACLWKYJNXWFHA-JTQLQIEISA-N	317.349	1.633	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1ncc(C)cc1O	1599377940	OWEXLSFZLXVURE-UHFFFAOYSA-N	317.301	1.559	50	20	DDGD	
CN(C)c1cc(C(=O)N2CC=C(C#N)CC2)cc(-c2nn[nH]n2)c1	1591027395	KDOAFJNQRPQEPN-UHFFFAOYSA-N	323.360	1.229	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)OC(C)C)cc(-c2nn[nH]n2)n1C	1591817473	BXKADEXVWAOINJ-VZUCSPMQSA-N	300.322	1.372	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@H]2CC[C@H]2C(=O)O)cc1	1598325840	RMKHDBFTBXXKJT-NWDGAFQWSA-N	320.349	1.016	50	20	DDGD	
CN(C)N(C(=O)C(=O)C(C)(C)C)c1nc(CC(=O)O)cs1	1598256805	VXUAUCYWDPJXPC-UHFFFAOYSA-N	313.379	1.195	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNc2ncccc2C(=O)O)c1	1594298174	CVPYCJMCGJKMMW-UHFFFAOYSA-N	315.329	1.919	50	20	DDGD	
C[C@@H](CC(=O)O)CC(=O)NNC(=O)C(C)(C)c1ccccc1	1592391774	PNRQIMSNBQWXSG-LLVKDONJSA-N	306.362	1.613	50	20	DDGD	
C[C@@H]1C(=NNC(=O)[C@@H]2CCN2C(C)(C)C)CC[C@@H]1CC(=O)O	1776098702	VDHOQOXAIHYUEW-LOWVWBTDSA-N	309.410	1.852	50	20	DDGD	
CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl	1793110485	UCDZDEKFOLVXBO-USZNOCQGSA-N	316.829	1.270	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3cccnc3)[nH]n2)cc1	14221300	ADGCOLXUCTYCSP-UHFFFAOYSA-N	321.340	1.855	50	20	DDGD	
CC(=O)Nc1ccc(CC(=O)NNc2nc(C)cc(C)n2)cc1	14513117	VKSLSSCFCKVVHU-UHFFFAOYSA-N	313.361	1.738	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cccc2ncccc12)N(C)C	164629605	GMEJZCBMTNGEKQ-CQSZACIVSA-N	300.362	1.336	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H](C)NC(=O)C(C)(C)C)c1	157205886	WWKNSVVGEWOABP-SECBINFHSA-N	311.357	1.828	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1ccccc1OC(F)F	156289329	HWGCMWQLYJDMJW-UHFFFAOYSA-N	320.259	1.711	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccnc(OC2CCC2)c1	157478126	ALKDDUHLZILQIK-UHFFFAOYSA-N	303.297	1.699	50	20	DDGD	
C[S@@](=O)c1ccc(CNS(=O)(=O)CCCCCl)cc1	154589374	MMDJTEBBKNUBPB-SFHVURJKSA-N	323.867	1.862	50	20	DDGD	
CC(C)(CCNC(=O)OC(C)(C)C)NS(=O)(=O)CCl	817148157	FMKOFEHGWPLNJR-UHFFFAOYSA-N	314.835	1.796	50	20	DDGD	
O=C(/C=C/c1cncc(F)c1)NNC(=O)NCc1ccco1	104328578	XWGFODDIDKDDED-ONEGZZNKSA-N	304.281	1.358	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(-c2ccccc2)on1	53370112	MDEDQVYLJPFESY-UHFFFAOYSA-N	302.359	1.637	50	20	DDGD	
Cc1noc([C@H]2CCCN(C(=O)NNC(=O)C(C)(C)C)C2)n1	109150523	CBZWAMQQOQQZCT-JTQLQIEISA-N	309.370	1.344	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1c(F)cccc1Cl	103425078	WBFACUJMEVFWBV-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C(=O)NNc2cc(C)ncn2)c1C	172277963	DOHKXWDOJGEAAW-UHFFFAOYSA-N	317.349	1.664	50	20	DDGD	
CC(=O)c1cc(C(=O)NNc2cc(C#N)cc(Cl)n2)n(C)c1	179367561	VLTIEUAAUKOBDI-UHFFFAOYSA-N	317.736	1.905	50	20	DDGD	
CCn1c(NNC(=O)C2[C@H]3CCC[C@H]23)nc2ccccc2c1=O	178094789	VWZYVUDQRYHJEI-QWRGUYRKSA-N	312.373	1.906	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNc2ccc(Cl)nn2)cc1	118501891	CYCIUQIOZPWGFL-UHFFFAOYSA-N	303.709	1.524	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1sccc1C	22284566	QXJZQVKDRONWST-UHFFFAOYSA-N	319.386	1.938	50	20	DDGD	
COc1ccc([C@@H](C)CC(=O)NNC(=O)c2cccn2C)cc1	175067827	GGTHLINBMCALDT-LBPRGKRZSA-N	315.373	1.989	50	20	DDGD	
COc1cc(CCC(=O)NNc2cc(C)ncn2)cc(OC)c1	172278076	VLUFKFJIDREDRF-UHFFFAOYSA-N	316.361	1.878	50	20	DDGD	
CN1CCO[C@@H](C(=O)NNc2ncc(Cl)cc2Cl)C1	133099364	RGFCJDIUXFYGEZ-SECBINFHSA-N	305.165	1.162	50	20	DDGD	
COCc1ccc(C(=O)NNc2nc(C)cc(OC)n2)cc1	174501166	QXYMKNVLOCAPHS-UHFFFAOYSA-N	302.334	1.697	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1ccc([N+](=O)[O-])cc1	60463290	FYAZLCHLWNQHCR-UHFFFAOYSA-N	314.301	1.468	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Nc2ccccn2)c1O	67539749	PLMFBLBXXFZCBS-UHFFFAOYSA-N	302.290	1.262	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNC(=O)c1c[nH]c2ccccc12	121352536	YXBBBAJWCTVXJZ-SECBINFHSA-N	303.318	1.128	50	20	DDGD	
C[C@@H](O)[C@@H](C)SCC(=O)NNC(=O)c1ccc(Cl)cc1	79060145	OJAHSJCWLJRKPD-RKDXNWHRSA-N	316.810	1.604	50	20	DDGD	
N#CCCN(CC(=O)NNC(=O)c1ccccc1)CC1CC1	182391285	OGLGPJPIAWNQHZ-UHFFFAOYSA-N	300.362	1.073	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNC(=O)c1ccc2ccccc2n1	188878616	UFBISKIJWMJMGJ-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
CC[C@H](C)[C@H](C(=O)NNC(=O)C(=O)NC1CC1)c1ccccc1	72937599	SUJMMCYAKNTHHG-FZMZJTMJSA-N	317.389	1.242	50	20	DDGD	
CC(=O)N1CCC[C@@H]1C(=O)NNc1cc(F)c(F)cc1F	127940958	FXOWOBCZNVLTGN-GFCCVEGCSA-N	301.268	1.558	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)Cc1nc2ccccc2n1C)C1CC1	70696756	MITLDBKMUIXMOK-LLVKDONJSA-N	314.389	1.699	50	20	DDGD	
CSc1cccc(NC(=O)NNC(=O)c2cc(C)n[nH]2)c1	186401479	PHVKLSHJKSFJOG-UHFFFAOYSA-N	305.363	1.907	50	20	DDGD	
O=C(NNc1ccccn1)[C@H]1CN(Cc2ccccc2)CCO1	181212295	BZEGJBNTXKXOIB-OAHLLOKOSA-N	312.373	1.426	50	20	DDGD	
CCCCN(C)S(=O)(=O)NNC(=O)c1c[nH]c2ccccc12	74050461	FCUJVPCNPSEAPO-UHFFFAOYSA-N	324.406	1.379	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@@H]2CSCCS2)o1	120137216	QNTGPYBPRWDKAM-SECBINFHSA-N	300.405	1.588	50	20	DDGD	
CCCCc1ccc(CC(=O)NNC(=O)[C@@H]2CCCO2)cc1	32259471	YJWYPNSGADWGAX-HNNXBMFYSA-N	304.390	1.898	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1cccc(-c2cc[nH]n2)c1	185944152	FJCOYPIFORZDQY-UHFFFAOYSA-N	310.317	1.871	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCCc1nc2ccccc2[nH]1	129159825	YMXLJZLKMZXNLX-UHFFFAOYSA-N	317.393	1.872	50	20	DDGD	
COCc1cccc(NC(=O)NNC(=O)Cc2ccncc2)c1	183622265	DRFMQPRVDXJXGF-UHFFFAOYSA-N	314.345	1.623	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)C(C)(C)C)N1CCc2ccccc21	79509149	TXLCKQVDOIYQSZ-LBPRGKRZSA-N	318.421	1.814	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)C(C)(Cl)Cl	181870112	UKQQCZWEMBXHGI-UHFFFAOYSA-N	319.188	1.969	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C(=O)Nc2ccc(F)nc2)c1	134383356	YMZONEVUHOHXRX-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccccc1)C(C)(C)CN(C)C	85358553	SYTWUZXCQBDLIO-LBPRGKRZSA-N	306.410	1.607	50	20	DDGD	
CC[C@@H](Oc1ccccc1F)C(=O)NNc1nccnc1OC	131777457	VZGTXXPMGFNFNL-LLVKDONJSA-N	320.324	1.925	50	20	DDGD	
Cc1cn(-c2c(F)cccc2F)nc1C(=O)NNC(=O)N(C)C	190632240	JZLKRVNSJGVZEA-UHFFFAOYSA-N	323.303	1.375	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2cc(F)c(F)c(F)c2)c1	190043567	YEUZWISXJGHXGR-UHFFFAOYSA-N	324.262	1.889	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1N	191226887	OFZAQQXFAIUFPA-UHFFFAOYSA-N	321.318	1.017	50	20	DDGD	
COCCn1c(C)cc(C=NNC(=O)c2cccnc2)c1C	254450807	ZMDQNPYLBHXMPM-UHFFFAOYSA-N	300.362	1.910	50	20	DDGD	
CC(C)(C)c1nc(C(=O)NNc2ncnc3nc[nH]c23)cs1	266426378	BWWSMSOQOBBEAZ-UHFFFAOYSA-N	317.378	1.864	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCC(C)(C)C[C@H](C)O	266517206	DDWWUCKSASLCSC-LBPRGKRZSA-N	307.394	1.736	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)c1ccc(Cl)cc1O	269840333	NXPMLVKGGWPJDI-MRVPVSSYSA-N	300.742	1.622	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCS[C@@H](C)[C@H]1C	265546111	SCKUWRNQHCUFSL-MNOVXSKESA-N	323.418	1.875	50	20	DDGD	
O=C(NNc1cnccn1)c1ccc(O[C@@H]2CCOC2)cc1	279897743	ZNMZKJBKEXEJQZ-CYBMUJFWSA-N	300.318	1.401	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cnn(CC(C)C)c2)o1	273539480	XYJUPGUFFUCISL-UHFFFAOYSA-N	305.338	1.907	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1cccc2cccnc12	274241683	XYONTQLULGKHGS-UHFFFAOYSA-N	314.345	1.367	50	20	DDGD	
C[C@@H]1C[C@H](CCNC(=O)NNc2cncc(Cl)n2)CCO1	273542205	TXVRZPYOIFFNNA-NXEZZACHSA-N	313.789	1.961	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(C(C)C)on1	271431378	OSOXVOUYIFGWOD-UHFFFAOYSA-N	302.425	1.270	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@@]1(O)CCc2ccccc2C1	376092375	MADSKFLNZYGXDV-QGZVFWFLSA-N	323.356	1.092	50	20	DDGD	
CSCCNC(=S)NNC(=O)/C=C/c1cnccc1C	273276289	SBRDZJMYDQCEFN-ONEGZZNKSA-N	310.448	1.262	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cccnc2NC(C)C)n1	279787862	JTPFHAHQQIAVOY-UHFFFAOYSA-N	313.361	1.680	50	20	DDGD	
CN([C@@H](CCO)c1ccccc1)S(=O)(=O)CBr	272872402	ZYIJPHOGJXXYRO-NSHDSACASA-N	322.224	1.724	50	20	DDGD	
CCOc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)C1CC1	282006455	QUWDYHFJAVQYCG-UHFFFAOYSA-N	308.294	1.556	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CNC(=O)CCC(C)C	288582399	GSQBJBYHZKKHRN-UHFFFAOYSA-N	322.365	1.899	50	20	DDGD	
CN(C)[C@]1(CNC(=O)NNc2ncccc2F)CCSC1	286564208	FBTGBKYHMGPDCA-ZDUSSCGKSA-N	313.402	1.284	50	20	DDGD	
CSC1(CNC(=O)NNC(=O)c2cccc(C)n2)CCC1	280026596	VSEZEJBEBXVLEK-UHFFFAOYSA-N	308.407	1.620	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C[C@@H]1CCCC[C@H]1O	292674137	MEQGEUWLWOPXCE-GXTWGEPZSA-N	320.389	1.326	50	20	DDGD	
CN(C)CCn1ccc(NC(=O)NNc2ncccc2F)n1	806307993	ZBGWBUFTSBWLJF-UHFFFAOYSA-N	307.333	1.127	50	20	DDGD	
O=C(NNc1ncccc1F)c1cnc2sccn2c1=O	804214765	PETSFAZXDUUTMZ-UHFFFAOYSA-N	305.294	1.047	50	20	DDGD	
CSc1ccccc1[C@@H](C)NCC(=O)NNC(=O)C1CC1	800397997	ZJHGQZLDCVEQGG-SNVBAGLBSA-N	307.419	1.617	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2c(F)ccc(F)c2F)O1	293889695	KMNOYPMZBSDDHH-RCOVLWMOSA-N	302.252	1.432	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc3oc(O)nc3c2)nc1	807320677	MJUWQQVDGXTCQR-UHFFFAOYSA-N	300.274	1.694	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)C1CCN(CC(F)F)CC1	807045760	CWAGEJQKBGRFHW-UHFFFAOYSA-N	318.755	1.577	50	20	DDGD	
C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)CBr	805111616	ZRDNBEORQLCUGG-ZJUUUORDSA-N	311.245	1.227	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNc1ccnc(Br)c1	807260272	BJSLSLLXXCSQPN-UHFFFAOYSA-N	323.150	1.509	50	20	DDGD	
CCOc1ncccc1CNC(=O)NNc1ncccc1F	804904035	SYYQPIDAHBTZIC-UHFFFAOYSA-N	305.313	1.841	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)NC[C@@H]1CCOC1	298525308	CCEGJJQVKNSVIO-VIFPVBQESA-N	313.789	1.916	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Nc1cc(F)cc(F)c1)c1cnn(C)c1	802003711	VDJJTXJKLHDIIH-QMMMGPOBSA-N	323.303	1.655	50	20	DDGD	
C[C@@H]1C[C@@H](c2cccnc2)N(CC(=O)NNC(=O)C2CC2)C1	805749946	VJBXGCHSFUNPOH-RISCZKNCSA-N	302.378	1.022	50	20	DDGD	
CCCC[C@@H](C)C(=O)OCC(=O)NNC(=O)c1ccccc1	800276566	OQUSRQSOCTUBBY-GFCCVEGCSA-N	306.362	1.817	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2CCCCO2)c1[N+](=O)[O-]	295666457	WMNXIVWIQPDQCZ-NSHDSACASA-N	307.306	1.233	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2csc(C(C)(C)C)n2)O1	294244588	NRZGYXFOMMJZCQ-WPRPVWTQSA-N	311.407	1.769	50	20	DDGD	
CN(NC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1)C1CC1	819647126	JYPLMHZSYJNLAV-MRXNPFEDSA-N	303.406	1.403	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccco1	814965341	KVWJHRPMWNZKQF-UHFFFAOYSA-N	322.346	1.473	50	20	DDGD	
C[N+](C)(C)CC(=O)NN=Cc1ccc2c(c1)OC(F)(F)O2	819801326	IQPPHKKMSBBGII-UHFFFAOYSA-O	300.285	1.164	50	20	DDGD	
CCC(=O)N1CCN(C(=O)c2c(C)nn(CCCl)c2C)C1	819672644	SQQPZEOFJDXTRH-UHFFFAOYSA-N	312.801	1.391	50	20	DDGD	
CC(=O)N[C@H]1CCN(C(=O)[C@@H](Br)C(C)(C)C)C1	817639784	NKJKQGLSSOTRQW-VHSXEESVSA-N	305.216	1.533	50	20	DDGD	
COC1CCC(CCNC(=O)NNc2ncncc2F)CC1	814320310	MLGNCWMJJRVNTJ-UHFFFAOYSA-N	311.361	1.837	50	20	DDGD	
CC(C)N(C)C[C@H](C)NC(=O)NNc1ncncc1Cl	811930820	HFWXLRYCYIWHDM-VIFPVBQESA-N	300.794	1.485	50	20	DDGD	
CON(CC(=O)NNC(=O)C1CC1)Cc1ccc(Cl)cc1	812912480	PMEOVEBAZKSDSP-UHFFFAOYSA-N	311.769	1.261	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2cncn2C)c(Cl)c1	813576607	WKRLWWBZRVOUBJ-UHFFFAOYSA-N	307.741	1.848	50	20	DDGD	
Cc1oc(Br)cc1C(=O)NNC(=O)C1CCC1	819270953	MOBZXJHPVNDVDC-UHFFFAOYSA-N	301.140	1.912	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)C2=CCOCC2)c1	819551835	KAOVQGRVEYTGMF-UHFFFAOYSA-N	304.350	1.570	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)c1ccc2nnc(O)n2c1	816336985	ANUXPOLKVPNUIH-UHFFFAOYSA-N	317.280	1.340	50	20	DDGD	
Cn1cc(-c2ccc(C=NNC(=O)Cc3cc[nH]n3)s2)cn1	814953634	KBKJQDZHMLPBLA-UHFFFAOYSA-N	314.374	1.565	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1cccc(C(=O)O)c1Cl	814761012	LBJQHYQXSGIGGX-UHFFFAOYSA-N	323.736	1.111	50	20	DDGD	
CN(C)CCNC(=S)NNC(=O)CCCc1ccccc1	727704942	LJHXVUVBNPGDDE-UHFFFAOYSA-N	308.451	1.066	50	20	DDGD	
CN(C)c1nc(Cl)c(C=NNC(=O)c2cnccn2)s1	818288203	ZXMBGZCRJXCWCZ-UHFFFAOYSA-N	310.770	1.416	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCO[C@@H](c2cccc(F)c2)C1	827654949	HEIFGFPINKCVID-CQSZACIVSA-N	323.368	1.002	50	20	DDGD	
C#CCN(CC(=O)NNC(=O)C(C)(C)C)C(=O)OC(C)(C)C	822244099	JNCWFVOPJIJLGC-UHFFFAOYSA-N	311.382	1.050	50	20	DDGD	
O=C(NNc1ncccc1Cl)c1cc(-c2nn[nH]n2)c[nH]1	823285286	PFAAFRFOAQJLFD-UHFFFAOYSA-N	304.701	1.000	50	20	DDGD	
CC(C)n1nccc1C=NNC(=O)CNC(=O)OC(C)(C)C	492151290	VHGOJGMTAURFRY-UHFFFAOYSA-N	309.370	1.439	50	20	DDGD	
CN(NC(=O)[C@H]1CCCc2nn(C)cc21)C(=O)OC(C)(C)C	496451848	DEVMWEAQSFPCNL-JTQLQIEISA-N	308.382	1.738	50	20	DDGD	
COCCn1cc(C(=O)NN(C)[C@H](C)CO)c2ccccc21	823964680	DBGOKARIBUOXTQ-GFCCVEGCSA-N	305.378	1.245	50	20	DDGD	
CCN(CC(=O)NNC(=O)C(C)C)C[C@@H](O)c1ccc(C)cc1	827939011	XEWBKLFTMHXJRT-OAHLLOKOSA-N	321.421	1.154	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C\c1cccc(OCC(=O)O)c1	490664505	RONNOTZRQKBGDF-JYRVWZFOSA-N	302.330	1.973	50	20	DDGD	
CS[C@H](C)CCC(=O)NNc1cccc(-c2nn[nH]n2)c1	826225373	AHQRLQITFROCMJ-SECBINFHSA-N	306.395	1.842	50	20	DDGD	
CC(C)OC(=O)CCCNC(=O)NNC(=O)OC(C)(C)C	495326020	FCMKAHVQIFZUNJ-UHFFFAOYSA-N	303.359	1.457	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(OCc2ccncc2)cc1	823846728	NIRFHPXKMWLZHW-UHFFFAOYSA-N	315.373	1.620	50	20	DDGD	
CN(NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)C(=O)OC(C)(C)C	496660648	OLOFHQUUGVYLKQ-SNVBAGLBSA-N	313.398	1.532	50	20	DDGD	
CCN(CCO)NC(=O)c1csc(-c2ncccc2F)n1	823869905	RXFQKTSLMBGEMO-UHFFFAOYSA-N	310.354	1.303	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C1C[C@@H](C)N(C)C1	496046025	TZFYCOAWPBXUEM-YPMHNXCESA-N	322.409	1.099	50	20	DDGD	
COC(=O)c1cc(C)cc(C(=O)NNC(=O)OC(C)(C)C)c1	497120499	QFWJOLMPNHPNRC-UHFFFAOYSA-N	308.334	1.951	50	20	DDGD	
CCC(=O)N1CCC(=NNC(=O)CCc2ccccc2O)CC1	729934313	FGZAUYSCNQYMFM-UHFFFAOYSA-N	317.389	1.829	50	20	DDGD	
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)/C(C#N)=C\c1cnn(C)c1	491176861	SDPVWHJIFPGGLL-NBWJXOEWSA-N	313.405	1.412	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H](CC)NC(=O)OC(C)(C)C	495467465	HARHLARHRJUCAU-SNVBAGLBSA-N	316.402	1.420	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C\c1ccc(S(C)(=O)=O)s1	491088320	ZJBYIYBZQBETKB-NTMALXAHSA-N	312.416	1.975	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F	823475622	QMPMBZBNWCLDLE-YPWHJJHSSA-N	324.327	1.641	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCC(C)(C)C1=CCCC1	826942289	SESHASRDZNLODX-YPMHNXCESA-N	309.410	1.878	50	20	DDGD	
OB(O)c1ccc(OCc2csc([C@H]3CCCO3)n2)cc1	584911239	ZTVIFDLQXVKEBS-CYBMUJFWSA-N	305.164	1.253	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NC1CC(c2ccccc2)C1	825896378	WJAPMEULFDFHFL-WPPJOMGTSA-N	317.389	1.688	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@@H]1C[C@@H]1C1CC1	826445184	JYRJWSGARTXVPD-RKDXNWHRSA-N	319.756	1.404	50	20	DDGD	
CN1CCO[C@H](C(=O)NNc2ccccc2C(F)(F)F)C1=O	900091356	YLXKGXCWVWYJLX-SNVBAGLBSA-N	317.267	1.006	50	20	DDGD	
COc1ccc2cc(C(=O)NN(C)[C@@H](C)CO)c(C)nc2c1	823983577	XHBCDRWANAYSDP-JTQLQIEISA-N	303.362	1.509	50	20	DDGD	
CCc1nc([C@H](C)NC(=O)c2ccc(B(O)O)c(F)c2)cs1	584944364	CNPFWMVPNYEWEK-QMMMGPOBSA-N	322.170	1.015	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)CC(C)C)c1cccc(OC)c1	821231904	RFHLWPZGCAGLQZ-CQSZACIVSA-N	323.393	1.759	50	20	DDGD	
O=C(CC1CCOCC1)NNc1ccc(-c2nn[nH]n2)cc1	826404690	JAWKOFASNOAICQ-UHFFFAOYSA-N	302.338	1.127	50	20	DDGD	
CC(C)C(=O)NNC(=O)CSCCNC(=O)OC(C)(C)C	901612111	LUFDZFUJGLBUBY-UHFFFAOYSA-N	319.427	1.048	50	20	DDGD	
Cn1ccnc(NNC(=O)[C@H]2CCC[C@H]2c2ccccc2)c1=O	826620779	UXFVBSNRQMVLIF-KBPBESRZSA-N	312.373	1.807	50	20	DDGD	
CCCO[C@@H](C(=O)NN(C)C[C@@H](C)O)c1ccc(F)cc1C	822557912	OPUAOQQMYWUGRY-IUODEOHRSA-N	312.385	1.946	50	20	DDGD	
O=C(NNC(=O)c1nc[nH]c1C(F)(F)F)NC1CCCC1	824343029	RFRHCIKHHWJNMC-UHFFFAOYSA-N	305.260	1.315	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(Cl)ccc1[N+](=O)[O-]	731544065	HFCCZMLTDMDMEJ-UHFFFAOYSA-N	314.754	1.543	50	20	DDGD	
Cc1ccc(CNCc2ccc(B(O)O)cc2)c(OC(C)C)c1	585029139	WBAGNANPSXMAHE-UHFFFAOYSA-N	313.206	1.752	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2(CN(C)C)CC2)c1C	824490601	KVRUBUOXVQPACC-UHFFFAOYSA-N	305.378	1.567	50	20	DDGD	
O=C(NCB(O)O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1	585057942	OUWOQZGLQMPIEA-UHFFFAOYSA-N	315.094	1.080	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(F)cc(Br)c1	495628371	GNJLUPCUVRNKDT-UHFFFAOYSA-N	305.103	1.931	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CC[C@](O)(c2ccc(F)cc2)C1	490812667	LYBBBLFMHRCTEY-UILAEWCASA-N	304.321	1.690	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)/C=C\c3ccccc3)nc21	492202878	MGCGTDHZPCEHOQ-FPLPWBNLSA-N	310.317	1.225	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)CC(N)=O)c1C	491174495	HPDZFGASMSWCAQ-BTAWCLGRSA-N	316.405	1.802	50	20	DDGD	
COc1cc([C@@H](C)NS(=O)(=O)CCl)cc(OC)c1OC	830001985	BJANLQPMBKCMLQ-MRVPVSSYSA-N	323.798	1.889	50	20	DDGD	
CCOC(=O)[C@@H](CC(=O)NNc1ccc(F)cc1F)C(C)=O	830781766	IXEYAVNNRGJLIQ-JTQLQIEISA-N	314.288	1.566	50	20	DDGD	
COc1ccc(C(=O)O)cc1C=NNC(=O)[C@H]1CCO[C@@H]1C	901259849	TVCKCVTZWXCSDU-SKDRFNHKSA-N	306.318	1.269	50	20	DDGD	
CN(C)c1ccc(CN2CC[C@@H](B(O)O)C2)c(C(F)(F)F)c1	585076358	MXLFFDSKOYWUMM-LLVKDONJSA-N	316.132	1.820	50	20	DDGD	
COc1ccc(Cn2cc(C(=O)NNc3cccnn3)cn2)cc1	736711128	VIDLPQYEGPPHMJ-UHFFFAOYSA-N	324.344	1.487	50	20	DDGD	
O=S(=O)(CCl)N1CCC[C@H](c2nnc3ccccn23)C1	830904033	YGTWEBNEOLCGEA-JTQLQIEISA-N	314.798	1.435	50	20	DDGD	
C=C(CC)CNC(=O)NNC(=O)COc1cc(C)cc(C)c1	838719913	MHKLZAJAZGFDCU-UHFFFAOYSA-N	305.378	1.979	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNC(=O)c1cccc2ncccc12	730286162	FXLFVAYOAFHPBD-INIZCTEOSA-N	322.368	1.093	50	20	DDGD	
Cc1ccccc1[C@H](C)CC(=O)NNc1nnc(C)c(O)n1	734863361	SGVPEVBLJBLXLU-SNVBAGLBSA-N	301.350	1.831	50	20	DDGD	
CCS[C@@H]1CC[C@H](N(C)C(=O)c2cccc(B(O)O)c2)C1	584956030	ZFDXPOWEMPVEGC-UONOGXRCSA-N	307.224	1.113	50	20	DDGD	
CCOC[C@@H]1CCCCN1[C@@H](C)C(=O)NNC(=O)CC(C)C	839182646	KQGPNKBHUHJDON-KBPBESRZSA-N	313.442	1.459	50	20	DDGD	
O=C(CCCc1nc(C2CC2)no1)NNC(=O)C1CCCC1	739693674	KZBYAKYNEWVVLW-UHFFFAOYSA-N	306.366	1.607	50	20	DDGD	
CSc1ccc(CCNCc2cccc(B(O)O)c2)cc1	585039381	QVXJLEMDIJLIJM-UHFFFAOYSA-N	301.220	1.421	50	20	DDGD	
Cc1ccc2c(c1)[C@@H](NC(=O)NNC(=O)[C@H]1CCCCO1)CO2	836361091	KKVJCBQCUZGLOR-GXTWGEPZSA-N	319.361	1.328	50	20	DDGD	
C[C@@H]1CCC[C@H]2CCCN(C(=O)c3cc(B(O)O)ccc3F)[C@@H]21	584933233	FPZWWJSAOBNWBI-BFQNTYOBSA-N	319.185	1.546	50	20	DDGD	
COc1ccc(NCc2ccc(B(O)O)cc2)cc1OC(C)C	585035743	YMCAVQAKKJYQIT-UHFFFAOYSA-N	315.178	1.774	50	20	DDGD	
O=C(NNc1ccc(F)cn1)Nc1cccc(-c2nn[nH]n2)c1	738137889	UHWVIUQZQJVWCF-UHFFFAOYSA-N	314.284	1.549	50	20	DDGD	
CCOCC(=O)NNC(=S)NCCSc1ccccc1	731161335	WHOUIQUANQTGDT-UHFFFAOYSA-N	313.448	1.311	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H](C)Cc2cnn(C)c2)n1	836631748	GAACPAPHZGLKKC-JTQLQIEISA-N	304.354	1.081	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)C(=O)NNC(=O)Cc1ccc(F)cc1	837311996	HDIWMGNBRCZPDV-LLVKDONJSA-N	318.352	1.128	50	20	DDGD	
Cc1ccc(SCCC(=O)NNC(=O)c2cc[nH]n2)cc1	918688001	HHVLBFFVEWFZAS-UHFFFAOYSA-N	304.375	1.662	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)[C@@H]2CCCCO2)CCCS1	836357977	MXNRKSVAJTZWFR-GWCFXTLKSA-N	301.412	1.172	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1	910167035	BYJHSGUCPKFWEL-HOCLYGCPSA-N	305.422	1.242	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(C(=O)O)c1)c1cnn(C)c1	833520887	JTWFUUKEEQCNDS-VIFPVBQESA-N	303.322	1.506	50	20	DDGD	
C[C@H](N)C[C@H](C)NC(=O)NNC(=O)Cc1ccc(Cl)cc1	831203540	WJQLWHGJOIDEDC-UWVGGRQHSA-N	312.801	1.339	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2cccc(C(=O)O)c2)C[C@@H](C)O1	833595777	ADHGSQSFXQZFGS-DDFAGTSDSA-N	307.350	1.967	50	20	DDGD	
C#CCNC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1cccc(OC)c1	744568056	OGDUQSGKHSCELN-CJAAZZPWSA-N	312.325	1.283	50	20	DDGD	
CC1(NC(=S)NNC(=O)[C@@H]2COc3ccccc3O2)CCC1	840702062	CAONEYFUIKVLDI-LBPRGKRZSA-N	321.402	1.264	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N(C)C)c(C)n1CC(F)(F)F	746003365	HWPUIFFMMZURFX-UHFFFAOYSA-N	306.288	1.583	50	20	DDGD	
Cn1c(NNC(=O)C[C@H]2C[C@H]3CC[C@H]2O3)nc2ccccc21	848380273	BGOAJICUAXSPAY-JTNHKYCSSA-N	300.362	1.974	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccn2cc(C(F)(F)F)nc2c1	910140311	ZNVGJQDNORFBHH-QMMMGPOBSA-N	316.283	1.311	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cc(Cl)c2c(c1)OCCO2	842559570	VJJVQUPDNMGCCS-GXSJLCMTSA-N	324.764	1.986	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)N[C@H]2CCCNC2)cc1	841943069	DJQXZEJTFHDSBM-AWEZNQCLSA-N	318.421	1.680	50	20	DDGD	
CCNCCCNC(=O)NNc1ccc(C(=O)OC)c(F)c1	841917279	JTFIQQFOSGNWFF-UHFFFAOYSA-N	312.345	1.238	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](C)Cc2ccccn2)o1	848670307	LJBOWNCYZBGLGX-JTQLQIEISA-N	302.334	1.558	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NCCC[C@@H]1CCCN1	842005859	OHCQREVHQAIDCA-HNNXBMFYSA-N	318.421	1.400	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cc3c(nc2O)CCCC3=O)cc1	748100868	FVKPLESVNJVFNL-UHFFFAOYSA-N	322.324	1.935	50	20	DDGD	
NC1(CNC(=O)NNC(=O)Cc2ccc(F)cc2)CCCCC1	841924190	NPPYUTZSTOVZDB-UHFFFAOYSA-N	322.384	1.360	50	20	DDGD	
CCc1nnsc1C(=O)NNc1oc(C(C)C)nc1C#N	746298614	DXCAORNHBXFKMS-UHFFFAOYSA-N	306.351	1.840	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)NC[C@@H]1CNCCO1	842010181	FRWWYIIBHVYSLG-ZDUSSCGKSA-N	306.410	1.733	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccc(Cn2cccn2)cc1	914843564	MGWPRRBJIJOZRG-UHFFFAOYSA-N	312.373	1.883	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=C1CCC(CS(C)(=O)=O)CC1	842548970	FOOJRDUCPZDIOD-XEEJXUNPSA-N	316.423	1.118	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCCC[C@@H]2CN)c1	841952021	ZDVJMJMDWLFAJQ-ZIAGYGMSSA-N	315.377	1.020	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=Cc1cccn1C	916365819	KVBQZHQQLQDWBB-BFHYXJOUSA-N	306.410	1.221	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1CC(=O)NNC(=O)c1ccc(Cl)nc1	746128248	ANNUXLZLGSFJDA-AOOOYVTPSA-N	310.785	1.369	50	20	DDGD	
CC(C)C[C@@H](CN)NC(=O)NNC(=O)CCCc1ccccc1	841954073	NMQWSRARMMATOP-HNNXBMFYSA-N	320.437	1.713	50	20	DDGD	
CNC(=O)NNC(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C	845276345	UZXPPDFNOJEDOS-VHSXEESVSA-N	314.386	1.030	50	20	DDGD	
COc1cc(C)c(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1OC	843651554	DLEUUAVVOSXEER-MNOVXSKESA-N	322.361	1.198	50	20	DDGD	
Cn1ccc(C=NNC(=O)C2CCN(c3ncccn3)CC2)c1	749855941	YBNJTPNWYUADAO-UHFFFAOYSA-N	312.377	1.182	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)C[C@H]2CCOC2)c1	740176732	BHNZLRBCOZCTHQ-SNVBAGLBSA-N	311.382	1.878	50	20	DDGD	
COCC1(CC(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)CC1	843517481	MPFOTKRLHQUSTM-LLVKDONJSA-N	324.352	1.557	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccc(Cl)cc1)[C@@H]1CCCNC1	841929604	WQTDNVOUSHOPFX-CMPLNLGQSA-N	324.812	1.672	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)ccc1[N+](=O)[O-]	843638904	FEOALJAGMBUMFP-GXSJLCMTSA-N	307.306	1.089	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NC2CCOCC2)cc1	844901766	KFFHOWUSELJXKZ-UHFFFAOYSA-N	307.350	1.207	50	20	DDGD	
Cn1ccnc(NNC(=O)c2cc(Cl)nc(C3CC3)c2)c1=O	848371176	IQFKKABJWHUYGZ-UHFFFAOYSA-N	319.752	1.463	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNc1ccc(CC(=O)OC)cc1	846371550	FVKDXZYNBNRURM-GFCCVEGCSA-N	306.362	1.826	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C2CC(F)(F)C2)c1	753564371	UVFXLVDIISJVLV-UHFFFAOYSA-N	314.288	1.510	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@@H]1CCOC2(CCC2)C1	856879096	IPGLLPQIIIDDJX-SNVBAGLBSA-N	311.773	1.858	50	20	DDGD	
C[C@]1(CNC(=O)c2ccc3nnnn3c2)C[C@@H]1Br	857689385	KTYPHAWJCQWUOP-GZMMTYOYSA-N	310.155	1.028	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=O)CC(F)(F)F)C1	857850950	CSYJDCVIIABNNQ-SVRRBLITSA-N	304.272	1.175	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](c2ccccc2)[C@@H]1C	751500200	SYTXDMALYUOXJR-KCQAQPDRSA-N	303.406	1.810	50	20	DDGD	
CCC[C@H](OCC)C(=O)OCC(=O)NNC(=O)c1ccccc1	859832516	GWXYSTACWCNHRT-ZDUSSCGKSA-N	322.361	1.196	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=C(C)c1cnn(C)c1	920827474	WKOFCSJMZBRXEG-UHFFFAOYSA-N	300.362	1.902	50	20	DDGD	
CCCN1CC[C@H](NC(=O)NNC(=O)Cc2ccccc2F)C1	852630888	FEIHAARQTQYGET-ZDUSSCGKSA-N	322.384	1.183	50	20	DDGD	
COCc1cccc(NC(=O)NNC(=O)c2cnccn2)c1	755685474	CLKVYCSLXDRZPZ-UHFFFAOYSA-N	301.306	1.090	50	20	DDGD	
COC(=O)N1CC(NC(=O)NNc2ccc(F)c(F)c2)C1	921550216	SZPYVBQCNQHFIK-UHFFFAOYSA-N	300.265	1.042	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNC(=O)OCC(F)(F)F	856021921	NAVFZSVKYAAJTL-LURJTMIESA-N	322.287	1.840	50	20	DDGD	
Cc1ccc(NNC(=O)CCn2c(C)cc(O)cc2=O)cc1F	856229978	DIKXKWFTIVYACA-UHFFFAOYSA-N	319.336	1.843	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)[C@H]1CCc2nncn2C1	855626996	UPUJDGBBSSGDMI-QMMMGPOBSA-N	320.284	1.031	50	20	DDGD	
C[C@@H]1CCCC[C@H]1OCC(=O)NNC(=S)NCC1CCC1	855091082	AONOXNXVUNGZTI-DGCLKSJQSA-N	313.467	1.877	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NN=Cc3cn(C)nn3)cc2C1	755578001	ZJJLBAIBQQWHMD-VIFPVBQESA-N	303.391	1.765	50	20	DDGD	
Cn1c2ccccc2c2cc(C(=O)NNC(=O)CO)sc21	753437618	ARIOZMMUAYLSQA-UHFFFAOYSA-N	303.343	1.146	50	20	DDGD	
CC(C)(C)OC(=O)N1CC2(CC(=NNC(=O)c3cc[nH]n3)C2)C1	853391507	PANZNVODGFMLSE-UHFFFAOYSA-N	319.365	1.526	50	20	DDGD	
O=Cc1cc(C(=O)NNc2nc(-c3ccncc3)no2)cs1	754966568	FQNHFMRHUJWCFR-UHFFFAOYSA-N	315.314	1.763	50	20	DDGD	
CC(C)c1nocc1C(=O)NNC(=O)COc1ccc(F)cc1	858144363	NUWIDGLCAFFAQE-UHFFFAOYSA-N	321.308	1.777	50	20	DDGD	
O=C1CC[C@H](CC(=O)OC[C@H](CBr)C2CC2)CN1	859717780	VPHHDABVSAJZFY-KOLCDFICSA-N	318.211	1.867	50	20	DDGD	
CN1C(=O)CC[C@H]1C(=O)NNc1ccc(Br)cc1	752627424	ZALLXXZKMXKZTI-JTQLQIEISA-N	312.167	1.513	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)C(F)(F)c1nccs1	757665536	NXHDQFRTDZPVJY-UHFFFAOYSA-N	303.212	1.335	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@]12CCCc1ccccc12)c1cc[nH]n1	855357833	QXCGCVXDZZXGRR-DYVFJYSZSA-N	310.357	1.465	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CC[C@@]2(C)CCC(=O)N2)c1	753465582	OJIXCCZFLJHQOX-MRXNPFEDSA-N	319.361	1.365	50	20	DDGD	
C[C@H](CCC(C)(C)C)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	754032657	ZUBAWHFDGWEOEK-OLZOCXBDSA-N	318.483	1.941	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cc2c(cc1F)CCC(=O)N2	755738993	CPKKMOVWRNDBAJ-MRVPVSSYSA-N	322.340	1.909	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(OC)cc2F)nc1	759730823	ZZUGRMBQYGTPGL-UHFFFAOYSA-N	319.292	1.773	50	20	DDGD	
CC(C)Cc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)s1	932157196	WEMJIGSEZHMTEA-UHFFFAOYSA-N	306.391	1.673	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)N[C@H]1CC1(C)C	852381469	UFZWLSZNUJDXLY-JTQLQIEISA-N	312.414	1.058	50	20	DDGD	
CCn1nc(C)c(C(=O)NC[C@@]2(C)C[C@@H]2Br)n1	857387389	HPXALVRSXMTOJR-GZMMTYOYSA-N	301.188	1.510	50	20	DDGD	
CN(Cc1nnc2n1CCCC2)NC(=O)OCc1ccccc1	859386276	JGPQHYPOTFJGKK-UHFFFAOYSA-N	315.377	1.888	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1	751104230	XRXOZWKIMZVXDW-LBPRGKRZSA-N	324.812	1.905	50	20	DDGD	
C[C@](O)(CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)C1CC1	755396800	BBGVGLXDWJKYGK-OKDIFOJXSA-N	320.433	1.901	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Nc2cc(C)ns2)c1O	756857536	PJUPAFLJGNTTIM-UHFFFAOYSA-N	322.346	1.632	50	20	DDGD	
C[C@@H]1CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)[C@@H]1C	752318729	OTBPQFHLQZNUIQ-VXGBXAGGSA-N	300.362	1.050	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)NNc2ncnc3ccsc23)C1	766678523	KJXAKWDOIILTEE-AWEZNQCLSA-N	319.390	1.393	50	20	DDGD	
CCc1cccnc1C(=O)NNC(=O)Cc1ccccc1F	766443855	GEXFYIXEZXFDAS-UHFFFAOYSA-N	301.321	1.787	50	20	DDGD	
COc1ccc(C(=O)C(=O)NNC(=O)C2CCCC2)cc1Cl	760513076	LKVOZQCGVVADLT-UHFFFAOYSA-N	324.764	1.869	50	20	DDGD	
CC[C@@](C)(CC(=O)OC)NS(=O)(=O)CC(C)(C)CCl	866914847	UPIZXYVHXDITGD-LBPRGKRZSA-N	313.847	1.903	50	20	DDGD	
C[C@H](NNC(=O)[C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2)C(F)(F)F	862319252	ZNMOPNROZODJTJ-SLBCVNJHSA-N	320.233	1.914	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2coc(C3CC3)n2)cc1	763283515	KNPXZDMZVFDCHW-UHFFFAOYSA-N	315.329	1.700	50	20	DDGD	
CC(Cc1ccncc1)=NNC(=O)Cc1cc(O)nc(S)n1	767766058	VLHVJVKEPFRMCH-UHFFFAOYSA-N	317.374	1.143	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)c1ccccc1)C(=O)N2C	864236667	RPUBUHWLVWEROZ-UHFFFAOYSA-N	309.325	1.806	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cn(C3CC3)nn2)c(F)c1	861939808	GKDDDGYRLQEFBT-UHFFFAOYSA-N	319.296	1.296	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=S)Nc2ccccn2)n[nH]1	768583527	CBUYJGYSGNHYQD-UHFFFAOYSA-N	304.379	1.560	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	766640509	QMNTYUNCKFXMHC-JGVFFNPUSA-N	301.268	1.558	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1COc2ccc(Cl)cc21	762359717	YIOKWUIKUILYMB-SNVBAGLBSA-N	313.741	1.140	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)/C=C\SC	768629497	JWZXWMXAQMGUGG-FPLPWBNLSA-N	316.404	1.419	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(C(=O)N(C)C)ccc1C	878256453	HPWQFZGQXQNETO-UHFFFAOYSA-N	308.382	1.312	50	20	DDGD	
C=CC(C)(C)CC(=O)NNC(=O)Cc1cn2ccccc2n1	879059423	AJYDSKJOOMSTKP-UHFFFAOYSA-N	300.362	1.627	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2c(O)nnc(C)c2C)n1	1116202174	LNGYNFOUKAFPGK-UHFFFAOYSA-N	308.729	1.308	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C/c1ccsc1	771900933	KULSFFQWPDGLGJ-SGUJLRQBSA-N	324.402	1.887	50	20	DDGD	
C[C@@H]1CN(C)CC1=NNC(=O)C(=O)NCc1ccc(Cl)cc1	771569004	ZBVQSFITSYCOJN-SNVBAGLBSA-N	322.796	1.010	50	20	DDGD	
CO[C@@H](C)CNC(=O)NNC(=O)c1nc2ccccc2s1	873065825	VFYJOOIQYWMWCB-QMMMGPOBSA-N	308.363	1.275	50	20	DDGD	
O=C(NCCc1ccncc1)NNC(=O)c1ccccc1Cl	1116284404	MPQFDRKTKRDAPW-UHFFFAOYSA-N	318.764	1.922	50	20	DDGD	
CCNC(=O)N(C)N=Cc1ccc(C(=O)N2CCCC2)cc1	872361539	GFDOWYOFQQUMTH-UHFFFAOYSA-N	302.378	1.918	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc(-c2nccn2C)c1	878596500	FFDBSYXYAYFGIP-UHFFFAOYSA-N	303.366	1.702	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)N(C2CC2)C2CC2)C[C@@H]1Br	1118836091	CGHSFDQCMMVORZ-GWCFXTLKSA-N	315.211	1.430	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=S)Nc1ccc(OC)nc1	874953395	BGHVSPVRSVPDBA-UHFFFAOYSA-N	312.395	1.080	50	20	DDGD	
C=CCCC[C@@H](C)NC(=O)NNC(=O)COc1ccccc1O	775780942	VGHKMCHYBHPLKE-GFCCVEGCSA-N	321.377	1.846	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cccc(OC(F)(F)F)c1	779822648	GLXBMYVXRWVVOQ-UHFFFAOYSA-N	319.239	1.391	50	20	DDGD	
C[C@@]1(CCC(=O)NNc2cnc3ccccc3n2)CCC(=O)N1	774785465	KVYCXOPQVSTYSL-INIZCTEOSA-N	313.361	1.522	50	20	DDGD	
C=CC(C)(C)CC(=O)OCC(=O)NNC(=O)c1cccc(C)c1	884650402	INTHIPQGZGJIME-UHFFFAOYSA-N	318.373	1.902	50	20	DDGD	
CN1C(=O)CCc2cc(C=NNC(=O)Cc3ccncc3)ccc21	774395337	YGADKOGEJQYLDI-UHFFFAOYSA-N	322.368	1.683	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@H](C)C(F)(F)F)nc1C	778429085	HVRXIXDIAQXJRB-LURJTMIESA-N	320.271	1.603	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@H](OCC)c1ccccc1	775200101	JDIMZGXNTOAPDP-ZDUSSCGKSA-N	309.366	1.131	50	20	DDGD	
O=S(=O)(CCCCl)N1CCSC2(CCOCC2)C1	882078991	IRLBIAYMUKQZNO-UHFFFAOYSA-N	313.872	1.543	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C(\C)c1ccccc1	772038430	VVYDHBFQCRJVGL-HCRIHEDKSA-N	304.346	1.579	50	20	DDGD	
COC(=O)c1cnc(C(=O)NNc2c(C)cc(C)cc2C)cn1	779674676	NKRIIHLRGMUDAR-UHFFFAOYSA-N	314.345	1.945	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CCc3ncncc3C2)c1	883738020	PBDOXZBVSUQINL-UHFFFAOYSA-N	317.374	1.259	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cnn(C(C)(C)C)c1C	772013366	PEDOGAOKKMVZCS-SNVBAGLBSA-N	324.381	1.049	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@](C)(O)C(C)C)c1	770212691	QUPKSPDAGSBDAA-MRXNPFEDSA-N	308.378	1.237	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C1=Cc2cc(OC)ccc2OC1	887145871	VKGBFAJHQWCHDI-UHFFFAOYSA-N	314.341	1.422	50	20	DDGD	
Cc1cccc(-n2nnc(C(=O)NN=c3cc[nH]cc3)c2C)c1	780759176	AGVNJDCPSRTVFJ-UHFFFAOYSA-N	308.345	1.458	50	20	DDGD	
C[C@@H](CCc1ccccc1)NC(=O)NNC(=O)c1cccnn1	883038203	AUKXHGGBYXPLHV-LBPRGKRZSA-N	313.361	1.442	50	20	DDGD	
CC1(C)CCC(NS(=O)(=O)CCCCl)(C(N)=O)CC1	882022663	IEKZWDMIAHGVCQ-UHFFFAOYSA-N	310.847	1.359	50	20	DDGD	
CN1CCN(S(=O)(=O)CCCCl)Cc2ccccc21	881858511	QDPKSDABMWNOII-UHFFFAOYSA-N	302.827	1.897	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@@H](NC(=O)NNc2ccc(C#N)cn2)C1(C)C	888756545	OJNPGSWWVPEDGC-OASPWFOLSA-N	303.366	1.639	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CSc1ccc(OCC)cc1	780709128	OGHJCECIOJRMLH-UHFFFAOYSA-N	311.407	1.870	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1cc([N+](=O)[O-])c2nsnc2c1	781020326	UJTFYZMGFSALHW-UHFFFAOYSA-N	316.302	1.173	50	20	DDGD	
COC(=O)[C@H](C)Oc1ccccc1/C=C(/C#N)S(C)(=O)=O	899343526	ZPOSIIXNQSERSY-UVIKPUKZSA-N	309.343	1.536	50	20	DDGD	
C[C@@H](NCC(=O)NNC(=O)c1ccc(C#N)cc1)c1cccnc1	782984764	VNKVEGADPDOOQU-GFCCVEGCSA-N	323.356	1.065	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)COc1ccccc1OC	792797445	MWLGQYUTPQCZKP-IAQYHMDHSA-N	324.377	1.283	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)NNC(=O)C1CC1	792790142	SHRWNOAPGPGBBO-SNVBAGLBSA-N	311.382	1.189	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)NCC(F)(F)F)cc1F	798316989	ZJDBIIVWNYBFOQ-UHFFFAOYSA-N	322.262	1.398	50	20	DDGD	
CC(=NNC(=O)c1ccc(O)c(O)c1)c1ccc2c(c1)OCO2	794550607	GAFJVBUYAPVNOT-UHFFFAOYSA-N	314.297	1.981	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)c1cccc(OC(F)F)c1	795082195	XONWOVMBPSBPMV-AWEZNQCLSA-N	316.304	1.864	50	20	DDGD	
CNC(=O)CC[C@H]1CCCCN1CCI	796587683	NHFRWRGKDBZCCP-SNVBAGLBSA-N	324.206	1.802	50	20	DDGD	
Cc1cnc(NC(=O)NNc2ccc(-n3ccnc3)nn2)s1	796654784	HVJBJORBTUKQSG-UHFFFAOYSA-N	316.350	1.576	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)c2ccc(O)c(O)c2)c1C	794557748	MYNTWBJKPYOVQV-UHFFFAOYSA-N	302.334	1.695	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2ccnn2C(C)C)cc1	794481581	FQDOWVJAJPVDDX-UHFFFAOYSA-N	313.361	1.861	50	20	DDGD	
CNC(=O)CC[C@@H]1CCCCN1CCI	796587681	NHFRWRGKDBZCCP-JTQLQIEISA-N	324.206	1.802	50	20	DDGD	
C[C@@H](Oc1ccc(/C=C(/C#N)S(=O)(=O)N(C)C)cc1)C(=O)O	794714449	RLEUSRWLASBPJB-GARZTLJTSA-N	324.358	1.294	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(O)ccc1C(F)(F)F	798305870	JTXRRQSYQIXQBV-UHFFFAOYSA-N	319.308	1.706	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)c1cnn(C)c1)c1cccnc1	797879674	KJBHBKUUDWJYHF-ZDUSSCGKSA-N	301.350	1.016	50	20	DDGD	
C=C1c2ccccc2C(=O)N1CC(=O)NNc1ncccc1C	791213096	WVVRHNJOKQOLQG-UHFFFAOYSA-N	308.341	1.960	50	20	DDGD	
CN1CC[C@H](NC(=O)[C@@H](Br)C(C)(C)C)CC1=O	793918463	DKZZHALXXWENSS-WCBMZHEXSA-N	305.216	1.533	50	20	DDGD	
COC(=O)C[C@H]1CCC(=NNC(=O)Cc2cc(C)[nH]n2)[C@H]1C	794490439	SHNHMSJAWMVWNN-WDEREUQCSA-N	306.366	1.342	50	20	DDGD	
COc1cc(C(=O)NNc2ccccc2S(C)(=O)=O)ccn1	1319384060	SHJVEJPQAZBDPA-UHFFFAOYSA-N	321.358	1.251	50	20	DDGD	
C[N+](C)(C)CC(=O)NN=Cc1ccc(OCC(F)(F)F)cc1	1318017509	SGRRTFYDJSIOBR-UHFFFAOYSA-O	318.319	1.784	50	20	DDGD	
CO[C@H](CNC(=O)NNc1nncc(N)c1Cl)C(C)(C)C	1319209618	ZLMMRXSZAKCVAA-MRVPVSSYSA-N	316.793	1.399	50	20	DDGD	
C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)NNC(=O)c1cn[nH]c1	1329759511	PBPBWGWIZQEBLK-APPZFPTMSA-N	319.287	1.427	50	20	DDGD	
COCc1cc(C(=O)NNC(=O)c2ccccc2Cl)no1	1322120209	FTEWAXKDJLKFAH-UHFFFAOYSA-N	309.709	1.549	50	20	DDGD	
CN(CCNC(=O)NNc1ccc(C(C)(C)C)nn1)C1CC1	1321942447	YVJLIWUEMBHEHF-UHFFFAOYSA-N	306.414	1.494	50	20	DDGD	
CN(C)[C@H]1CCCC[C@H]1NC(=O)NNc1ccc(Cl)nn1	1321729783	CJSRBSBDNMWUGT-ZJUUUORDSA-N	312.805	1.629	50	20	DDGD	
O=C(NCc1ccc2c(c1)CCC2)NNC(=O)C1CCNCC1	1326117310	ZIGQRIPGMYQLTF-UHFFFAOYSA-N	316.405	1.005	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cncnc2C)cc1	1321261402	BLDYZYDITHJSEZ-UHFFFAOYSA-N	301.306	1.260	50	20	DDGD	
O=C(NNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1Cl	1324634432	CSIYPVFMDUOMIU-UHFFFAOYSA-N	309.669	1.046	50	20	DDGD	
CC(C)c1nnc(C(=O)NNc2nncc(N)c2Cl)s1	1328665436	IFZKTPMPKMOBNB-UHFFFAOYSA-N	313.774	1.444	50	20	DDGD	
Cc1ccn(-c2cccc(C(=O)NNC(=O)c3ccncc3)c2)n1	1251416156	BNBJSSACJOPPOD-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
Cc1ccc(NC(=O)N(C)C)c(C(=O)NN(C)C[C@H](C)O)c1	1332147829	IPKWYGGMMSJNHW-NSHDSACASA-N	308.382	1.046	50	20	DDGD	
O=C(NCB(O)O)c1sc2cc(Cl)ccc2c1Cl	585057175	OFMRCPQHDIEUHF-UHFFFAOYSA-N	303.963	1.950	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@H]2CSCCS2)c1Cl	1253123842	MEQBYMDBDYSTMR-ZCFIWIBFSA-N	305.816	1.004	50	20	DDGD	
Cc1nnc(CNC(=O)NNC(=O)c2cc3c(s2)CCC3)o1	1337499409	HZXFJNLJOWYZBR-UHFFFAOYSA-N	321.362	1.072	50	20	DDGD	
NC1CC2(C1)CC(NC(=O)NNC(=O)c1ccccc1Cl)C2	1262603267	CRQTYSBBIIXGSH-UHFFFAOYSA-N	322.796	1.554	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1ccc(C2CC2)cc1	1262760046	SLWUBUFLYVCTNZ-UHFFFAOYSA-N	313.357	1.453	50	20	DDGD	
C[C@@H](CCN1CCN(C)CC1)NC(=O)C1CCC(Cl)CC1	1348243463	MGNOFKWWZSEXCO-NFOMZHRRSA-N	315.889	1.926	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@@H]2OCCC[C@H]2C1	1340898802	XUFJYIXKBZJHJP-IHRRRGAJSA-N	311.426	1.069	50	20	DDGD	
CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C2CCC(Cl)CC2)C1	1347327029	YPRDRYWBOSAYCA-WXRRBKDZSA-N	315.845	1.998	50	20	DDGD	
CC(C)(C)OC(=O)N1CC2CC1(C(=O)NNc1cccnn1)C2	1346974429	FSXWQIONWKXYOV-UHFFFAOYSA-N	319.365	1.319	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)C1[C@H]2CCCCCC[C@H]12	1347550370	WVKZWZSOTYLZDD-STQMWFEESA-N	323.437	1.655	50	20	DDGD	
COc1c(C(=O)NNc2ncccn2)cnn1-c1ccccc1	1342840427	FFXBOUBNOCHXMD-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
CCN(CC)CC[C@H](C)NC(=O)NNc1cccc(OC)n1	1515342468	DNDTYCLNMONRQK-LBPRGKRZSA-N	309.414	1.837	50	20	DDGD	
O=C(NCCOCCF)NNc1ccc(C(=O)O)cc1F	1601505119	AVSXVZRJAOTRPE-UHFFFAOYSA-N	303.265	1.136	50	20	DDGD	
COc1ccnc(OC)c1C(=O)NNc1cccc(C(=O)O)c1	1607350915	SMBQEMZWBCESOC-UHFFFAOYSA-N	317.301	1.554	50	20	DDGD	
N#CC1(C(=O)O)CCN(CCCI)CC1	1601052518	DONBXGOPXSFRQS-UHFFFAOYSA-N	322.146	1.502	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@@H](CC(C)(C)C)C(=O)O)cn1	1600944990	CXILVVMRMUAFMQ-QJGQKNTRSA-N	304.350	1.333	50	20	DDGD	
N#CSCCCNS(=O)(=O)c1ccc(C(=O)O)cc1F	1601079842	UDKXXFZFTKVOFG-UHFFFAOYSA-N	318.351	1.407	50	20	DDGD	
CC[C@]1(C(=O)NNc2cccc(C(=O)O)c2C)CCNC1=O	1605133369	URKCHTYOEFMWQR-HNNXBMFYSA-N	305.334	1.053	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc(C(=O)O)c2)cc1O	1605252937	YJKXPBUOSBMCCS-UHFFFAOYSA-N	314.297	1.474	50	20	DDGD	
C=C[C@H](NNC(=O)c1ccc(COc2ccccc2)o1)C(=O)O	1602819604	ZSHWDGOBHOMYIA-ZDUSSCGKSA-N	316.313	1.732	50	20	DDGD	
Cc1oc(C(=O)NNc2cccc(C(=O)O)c2F)cc1CO	1608032045	FXZBACMKEKSMMD-UHFFFAOYSA-N	308.265	1.675	50	20	DDGD	
N#Cc1ccc(NCC(=O)NNc2ccccc2C(=O)O)nc1	1608208686	KXXPJIJCSISNRA-UHFFFAOYSA-N	311.301	1.207	50	20	DDGD	
CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](F)Cl)n[nH]1	1818037422	GFOOGIHOQAWHTL-GXSJLCMTSA-N	302.737	1.956	50	20	DDGD	
C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](F)Cl)n[nH]1	1818044217	YLRALKVVCBBPOE-BXKDBHETSA-N	312.732	1.569	50	20	DDGD	
COCC[C@H](N)C(=O)NNc1ccc(OC(F)(F)F)cc1	1573978251	QGIQOJTZQHWUSX-JTQLQIEISA-N	307.272	1.392	50	20	DDGD	
CC(C)NC(=O)/C(C#N)=C\c1c(F)cc(-c2nn[nH]n2)cc1F	1589719684	DMJSSEIMEBJYJA-OQFOIZHKSA-N	318.287	1.576	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCOC2)C1	1846691941	OIQCCTMILOPALA-NEPJUHHUSA-N	314.813	1.244	50	20	DDGD	
O=C(NNc1ncncc1F)[C@H]1CCCCC12CCNCC2	1580742916	JQZICNYMGZWKSR-LLVKDONJSA-N	307.373	1.619	50	20	DDGD	
O=C(C1CC(F)(F)C1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](F)Cl	1847329512	GETLBWDQMFPMKQ-GUBZILKMSA-N	324.730	1.768	50	20	DDGD	
CO[C@H](C(=O)O)C(=O)Oc1ccc([N+](=O)[O-])c2ncccc12	1593918440	GXMZAECJUAQWSD-LLVKDONJSA-N	306.230	1.148	50	20	DDGD	
CCc1nc(C)ncc1C(=O)NNc1cccc(F)c1C(=O)O	1597662631	FHBOPQUUQHONKN-UHFFFAOYSA-N	318.308	1.942	50	20	DDGD	
CC1(C)COC[C@@H]1NC(=O)NNc1ccc(F)c(C(=O)O)c1	1593959042	KCIFNMCICZIOFG-NSHDSACASA-N	311.313	1.575	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(C(=O)O)cc2OC)cn1	1599484270	UFYVBWOIFJHOTJ-UHFFFAOYSA-N	317.301	1.554	50	20	DDGD	
CCc1ccc(C(=O)NN=Cc2c(C(=O)O)cnn2C)cc1	1776025190	LCZJUUJDCZJJJM-UHFFFAOYSA-N	300.318	1.445	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1ccccc1OCCC(=O)O	1776946156	KLHPEKQOHKODMI-XFXZXTDPSA-N	309.343	1.839	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NN=Cc1cccc(F)c1C(=O)O	1776098317	HFWHWJWCXCXADX-LBPRGKRZSA-N	321.352	1.847	50	20	DDGD	
O=C(CC1(C(=O)O)CCCC1)NNC(=O)c1ccc(O)cc1	13469522	YMJCDNMWVPNBBD-UHFFFAOYSA-N	306.318	1.188	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NNc1ncnc2nc[nH]c12	161804995	HGGWUZJPVGJSIF-DTWKUNHWSA-N	314.374	1.970	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(-n2nc(C)cc2C)c(F)c1	158940989	OHCMCJPKADTXJF-UHFFFAOYSA-N	306.297	1.629	50	20	DDGD	
O=C(NC1CC1)[C@@H]1CCCN1S(=O)(=O)CCCCCl	163412822	ZXLXAWHGHCVMST-NSHDSACASA-N	308.831	1.078	50	20	DDGD	
O=C(NNc1ccccc1F)c1sccc1-n1cnnn1	152893557	IBENMBZIKUSZBG-UHFFFAOYSA-N	304.310	1.620	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNc1ncnc2nc[nH]c12	156234670	HOOLGRZGONGNOE-UHFFFAOYSA-N	318.724	1.772	50	20	DDGD	
C=CCNC(=S)NNC(=O)CNc1c(C)cc(C)cc1C	7531593	HKVNQLDBSJXXNF-UHFFFAOYSA-N	306.435	1.705	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCc1ccc(Cl)cc1	103519134	TVVULTBQZSELKP-UHFFFAOYSA-N	318.764	1.808	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(N(C)C)nc2)n1	174495553	PKXDXTUXGWMBRG-UHFFFAOYSA-N	302.338	1.012	50	20	DDGD	
CC(=O)NNC(=O)[C@@H](CC(C)C)NC(=O)c1ccccc1C	23198811	POVQJXNPPSYXIZ-CQSZACIVSA-N	305.378	1.307	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc2c(c1)NC(=O)CCS2	24607622	SOXBGMFQFGHRES-UHFFFAOYSA-N	321.402	1.928	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)C3(O)CCC3)cc2C1	119544740	ACOSSEOFBCWROO-VIFPVBQESA-N	308.403	1.549	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)Cc1cccc(F)c1	110758207	XIRRIXXHWMBYKQ-SECBINFHSA-N	304.325	1.497	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cc2ccc(F)c(F)c2)nc1	179789134	FIDPPXPCAOEKDA-UHFFFAOYSA-N	321.283	1.832	50	20	DDGD	
COc1ccccc1/C(C)=C/C(=O)NNC(=O)c1cnn(C)c1	117679836	LCONVCJPGVNEQJ-DHZHZOJOSA-N	314.345	1.293	50	20	DDGD	
O=C(NNc1cnccn1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	114880516	YVSADMKTTCLWRZ-UHFFFAOYSA-N	304.222	1.050	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cnc2ccc(F)cc2c1	179199829	DMZNLSJSHGLBAC-UHFFFAOYSA-N	318.308	1.061	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)NC2CCCC2)cc1	65833103	SAHISBBUEBTCNY-UHFFFAOYSA-N	313.379	1.130	50	20	DDGD	
CSC[C@@H](C)C(=O)NNC(=O)COc1cc(C)ccc1C	66817248	ZDHZKIWFIQMFFM-GFCCVEGCSA-N	310.419	1.829	50	20	DDGD	
NC(=O)CSCC(=O)NNc1ccc(Cl)cc1Cl	178878540	IYRVUCBVCJUSNX-UHFFFAOYSA-N	308.190	1.655	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccnc(-n2ccnc2)c1	63460531	MPDJBOPZQSQQTH-UHFFFAOYSA-N	303.322	1.437	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H]2CCOC2)cc1	69318310	JENSOCIVKFCKAL-NEPJUHHUSA-N	322.361	1.037	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNc1nccn(C)c1=O	119231728	JUHHGVNJIQBBGU-ZJUUUORDSA-N	304.375	1.397	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1ccncc1Cl	174197488	ASPBTMAMYDHXOZ-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)NCc2ccco2)c1	173260272	NEGBAPSUFDJZGV-UHFFFAOYSA-N	318.289	1.640	50	20	DDGD	
COc1ccc(CCC(=O)NN=C2CCN(C(N)=O)CC2)cc1	63417913	NYAZORGIDHZWKR-UHFFFAOYSA-N	318.377	1.275	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NNC(=O)CC1CCCCCC1	176024241	KSDUUTCITAYHPH-UHFFFAOYSA-N	321.377	1.517	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(C)cc1F	176854733	PDKOFHYHTDRFNY-UHFFFAOYSA-N	309.341	1.200	50	20	DDGD	
C[C@@H]1CC[C@H](CCC(=O)NNC(=O)c2cccc(N(C)C)c2)O1	174922254	PENAMIYWPGDFPF-IUODEOHRSA-N	319.405	1.861	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCC1(N2CCOCC2)CCCCC1	28805170	PWIMUBYIEQHOHB-FYWRMAATSA-N	321.421	1.582	50	20	DDGD	
CC(C)(C)n1cc(NC(=O)NNC(=O)c2cccnc2)cn1	186246673	WXMDJIHGDCRPNQ-UHFFFAOYSA-N	302.338	1.500	50	20	DDGD	
CS(=O)(=O)CCCC(=O)NNc1ccc(C#N)c(Cl)c1	182408959	AFLPJHIYVNBHIX-UHFFFAOYSA-N	315.782	1.480	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(-n2cccn2)nc1	183983698	ROMWLCINTQKZRD-JTQLQIEISA-N	302.338	1.466	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ccccn2)cc1F	181404487	AZXIHANLQSDNFO-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
CC(C)(CO)CCCNC(=O)NNc1ccc(Cl)nn1	122597708	CNTJAARYXAREDJ-UHFFFAOYSA-N	301.778	1.555	50	20	DDGD	
COCc1c(C(=O)NN(C)C(N)=O)sc2cccc(F)c12	181069444	USIUIMHDSUBGLI-UHFFFAOYSA-N	311.338	1.842	50	20	DDGD	
CCCCn1cc(C(=O)NNc2nc(C)cc(OC)n2)c(C)n1	186001214	RFTUKMZQABRUOJ-UHFFFAOYSA-N	318.381	1.856	50	20	DDGD	
COc1ccnc(NNC(=O)NCC2(CN(C)C)CCCC2)n1	185165925	KLJVAPZUCJPINC-UHFFFAOYSA-N	322.413	1.233	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(F)c1	184500929	MTSCYJYGLVOFAV-UHFFFAOYSA-N	315.732	1.611	50	20	DDGD	
CCC(CC)(C(=O)NNC(=O)C(=O)NC(C)C)c1ccccc1	75188460	DLJWFPNWOCHKQJ-UHFFFAOYSA-N	319.405	1.416	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1ccnc(-n2cncn2)c1	184316983	OSOOHOAIBXNCPA-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@H]2CC=CCC2)c1	77641972	ZXQZVYPREJLVIJ-ZDUSSCGKSA-N	303.362	1.813	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCNC(=O)C(C)C	74258312	GZWJZOVZJCWLFC-UHFFFAOYSA-N	314.817	1.241	50	20	DDGD	
C[C@@H](C(=O)NN(C)C(N)=O)c1ccc(Br)cc1	182643239	RFHFNVFOICEHIX-SSDOTTSWSA-N	300.156	1.594	50	20	DDGD	
COc1ccnc(NNC(=O)C[C@H](C)c2c(C)noc2C)n1	129822748	CEFIZTBHMQMGPF-QMMMGPOBSA-N	305.338	1.727	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NC[C@](C)(O)COC)cc1	75247126	MMIPBKVLVTWMFS-DZXKJOIRSA-N	318.373	1.506	50	20	DDGD	
CC(C)(C)CCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	78031673	LZOAYJXHXRLSGV-ZDUSSCGKSA-N	306.362	1.800	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2c(C)ccn2C)cc1	189592579	RLRDFMMPUCUTMW-UHFFFAOYSA-N	316.361	1.215	50	20	DDGD	
CC[C@@H](C)C(=O)NNc1c(OC)cccc1S(C)(=O)=O	186069166	GJRBRTHVPCFHOX-SECBINFHSA-N	300.380	1.588	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)c1ccccn1	45560478	UYDQBYNDYMRDMK-LLVKDONJSA-N	316.336	1.855	50	20	DDGD	
CO[C@H](C)CCC(=O)NNC(=O)c1ccc2ccccc2n1	182952552	GWBOOSFRMWVHLC-LLVKDONJSA-N	301.346	1.811	50	20	DDGD	
Cc1ccccc1CC(=O)NNc1nc2ccccc2c(=O)[nH]1	137147243	JVEWHJIYHGFHOK-UHFFFAOYSA-N	308.341	1.917	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)Cc1c[nH]c2ncccc12	132098938	SZIFJZVDYBODMX-UHFFFAOYSA-N	305.407	1.399	50	20	DDGD	
CC(=O)N(C)C1CCN(CCI)CC1	190846896	DCDKUJANLNSHMG-UHFFFAOYSA-N	310.179	1.364	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(F)c(F)c2)o1	84461464	MIEPOLZDXRCZPD-UHFFFAOYSA-N	316.285	1.490	50	20	DDGD	
O=C(/C=C/c1ccc(Cl)s1)NNC(=O)N1CCOCC1	194899477	ZDISIYKUSQGGJN-DUXPYHPUSA-N	315.782	1.488	50	20	DDGD	
Cc1cc(C)n2nc(C)c(C(=O)NNC(=O)c3ccncc3)c2n1	193778123	MNTBZUSAQWCCLK-UHFFFAOYSA-N	324.344	1.124	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccc(C#N)cc1)c1cccnc1	140156970	JQAGYZYZNACNEJ-NSHDSACASA-N	309.329	1.658	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@H]2CC=CCC2)cc1	140946404	IRIQUSQRJRXVOY-LBPRGKRZSA-N	303.362	1.611	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1cc(Cl)nc(C)n1)C(C)C	267086233	LGCWOWFIQFISRR-JTQLQIEISA-N	315.761	1.262	50	20	DDGD	
COC(=O)NNC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C	263672267	JFENXKWPLHXXRK-LBPRGKRZSA-N	323.349	1.325	50	20	DDGD	
CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)NNC(=O)c1ccccc1F	265933381	FWXLOKYPBIDPBU-UHTWSYAYSA-N	321.352	1.583	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@H]1CCOC2(CCC2)C1	269382755	YVGLQNZDZJXQGS-VIFPVBQESA-N	311.773	1.858	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)CNc2ccccc2OC)O1	268201790	GHQFNWKYSHUWJK-FZMZJTMJSA-N	321.377	1.212	50	20	DDGD	
Cc1cc(F)cc2c(O)c(C(=O)NNC(=O)C3CC3)cnc12	266168688	SALJUPGDVHJXRW-UHFFFAOYSA-N	303.293	1.559	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2C[C@H]2c2ccco2)cc1	362953178	VEMLSYNQFOYHIL-ZIAGYGMSSA-N	313.357	1.951	50	20	DDGD	
Cc1cccnc1NNC(=O)CNC(=O)NC1CCCCC1	276785813	VVWFLJMHGRBUOR-UHFFFAOYSA-N	305.382	1.465	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(C)cc1OCC	276184395	MICMVSMARYINDA-UHFFFAOYSA-N	322.365	1.025	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@H](CO)Cc1ccc(F)cc1	272471286	TVEVLBPHOZCKSI-LBPRGKRZSA-N	311.357	1.106	50	20	DDGD	
CC(C)Cn1cc(C(=O)NNC(=O)NCc2ccco2)cn1	272920364	ATQYIOBFDNWPOR-UHFFFAOYSA-N	305.338	1.276	50	20	DDGD	
CCOC(=O)C[C@H](C)CNC(=O)NNC(=O)c1ccccc1C	270440017	FOLCXWJRWZXSPF-NSHDSACASA-N	321.377	1.528	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1	367665892	OHPQAVHPSOHPQI-LLVKDONJSA-N	320.324	1.301	50	20	DDGD	
CCc1nn(C)cc1NC(=O)NNC(=O)c1ccccc1OC	273389258	JKCWQADTULDQQL-UHFFFAOYSA-N	317.349	1.458	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@]1(O)CCSC1	279956827	XYHUKSCQHIPXMA-NSHDSACASA-N	301.299	1.045	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCCCCO)cc(C#N)n1C	279158738	DMHJVMSWJJAYHT-RIYZIHGNSA-N	300.362	1.391	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)CCC2CCOCC2)n1	279594961	CZIQAYVFMREYTL-UHFFFAOYSA-N	320.393	1.493	50	20	DDGD	
O=C1CCC[C@H]1[C@@H]1COCCN1S(=O)(=O)CCCCCl	373428317	XTKDOWQLTGWKJA-RYUDHWBXSA-N	323.842	1.405	50	20	DDGD	
CSSCCNS(=O)(=O)c1cnn([C@H]2CCOC2)c1	284713052	QTRQMYGTUQJTNE-VIFPVBQESA-N	323.465	1.134	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H](O)C(C)C)c1C	285236049	TWKONVIDHCOELQ-TZMCWYRMSA-N	308.378	1.235	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1csc(Cl)c1	287733562	HALUJSSAQSDEMT-UHFFFAOYSA-N	320.798	1.952	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1)C1CC1	281312525	SEIHNNYKHTZRSQ-FMIVXFBMSA-N	315.373	1.746	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC[C@H](OC)C1CC1)c1ccccc1	296923962	OKMGILGLFJHIEL-CABCVRRESA-N	319.405	1.936	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2nc(C)oc2C)c1	292256603	FBWMIAUAWLIRKC-UHFFFAOYSA-N	303.318	1.440	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1	808074823	LJKSDVDQQYBDOM-UONOGXRCSA-N	311.426	1.025	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCc2cncn2C)cc(C#N)n1C	292866050	ZDOSIUHQABKWMR-YIXHJXPBSA-N	308.345	1.162	50	20	DDGD	
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NNC(=O)CC(C)C	298856909	MQMBYEHVHHMOPD-UHFFFAOYSA-N	315.351	1.259	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCc2n[nH]c(CC)n2)cc1	297471809	DCRRVVTXTYTFAB-UHFFFAOYSA-N	316.365	1.074	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)[C@H]1CCCCO1)c1ccccc1	296495709	BPCLIFAOWKOVIP-GXTWGEPZSA-N	305.378	1.690	50	20	DDGD	
O=C(CNC(=O)c1cc2ccccc2[nH]1)NCC(Cl)Cl	808131664	RFMHAHXLVADKCB-UHFFFAOYSA-N	314.172	1.818	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)NNc1ccncn1	295329670	ASPPDJYIUXKZJE-NXEZZACHSA-N	309.370	1.469	50	20	DDGD	
O=C(NCCCCCN1CCCCC1)NNc1ccncn1	296657935	ODHREQILTQAPTH-UHFFFAOYSA-N	306.414	1.759	50	20	DDGD	
COc1ccccc1OCCC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	294276415	PNDOTWSCPQMIBC-FZMZJTMJSA-N	322.361	1.179	50	20	DDGD	
COc1ccc(NNC(=O)Nc2nc([C@H](C)OC)ns2)nc1	809929130	PAEDQTZABXHTEP-ZETCQYMHSA-N	324.366	1.798	50	20	DDGD	
COc1cc(C#N)ccc1OCC(=O)NCC(Cl)Cl	808128710	DDHLDHYNXNLPHC-UHFFFAOYSA-N	303.145	1.866	50	20	DDGD	
O=C(Cc1ccc2c(c1)OCCO2)NNc1ncccc1F	804217008	NVXIZPKKRRZIER-UHFFFAOYSA-N	303.293	1.678	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@](C)(O)C2CC2)cc1C	298292720	PCIKITYEGSPTHW-INIZCTEOSA-N	306.362	1.776	50	20	DDGD	
O=C(CCc1ncc[nH]1)NNC(=O)c1cccc2ccccc12	806917412	SDEXZLCIEVEZPL-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cnc(C2CC2)s1	802028843	IFPZGXMUOMUPFO-UHFFFAOYSA-N	303.347	1.304	50	20	DDGD	
CCCCN(C)c1ccc(C(=O)NNc2cnnn2C)cc1	816770276	QHBZMZDISCOSFP-UHFFFAOYSA-N	302.382	1.808	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CC(C#N)C2)c1C	817547490	ZZYXJNHBAFHGRZ-APSNUPSMSA-N	312.373	1.640	50	20	DDGD	
C[C@H](NC(=O)NNc1ncncc1F)c1ccc(C#N)cc1	814283276	DAIHZNQOTJUNIH-VIFPVBQESA-N	300.297	1.875	50	20	DDGD	
CN(NC(=O)c1oc2ccccc2c1CS(C)(=O)=O)C1CC1	819646713	CRODBLOITRKPDQ-UHFFFAOYSA-N	322.386	1.716	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C#N)cc1)c1csc(N)n1	812390102	ULFRGTROAOKSMP-UHFFFAOYSA-N	315.358	1.516	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc3c(c2)C(C)(C)CO3)n[nH]1	810584099	NCITUQCXDMDHIY-UHFFFAOYSA-N	314.345	1.463	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NN=Cc1c[nH]c(C(=O)O)c1	814838844	DVDUCGUBQKKCEO-UHFFFAOYSA-N	310.313	1.818	50	20	DDGD	
CCCNC(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(F)c1	813425623	KVHOWZGFOUNTAJ-UHFFFAOYSA-N	316.720	1.158	50	20	DDGD	
Cc1nn(C)c(N)c1C=NNC(=O)c1c(C)nc2ccccn12	814718489	ZBAATHIMVVMQPH-UHFFFAOYSA-N	311.349	1.031	50	20	DDGD	
O=C(O)CCOc1cccc(C=NNC(=O)[C@H]2CCCS2)c1	819826521	KIESZOMUIAGDMX-CYBMUJFWSA-N	322.386	1.886	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1cc(Cl)c2c(c1)OCO2	814957692	NGXGREVFBSPNIL-UHFFFAOYSA-N	306.709	1.485	50	20	DDGD	
Cc1ccc(C2(C(=O)NNC(=O)c3ncccn3)CCC2)cc1	819577247	XVIMUKGSHTXQRG-UHFFFAOYSA-N	310.357	1.668	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C[C@@H]2CCCOC2)cc1C	814769415	ZYAHZEAYFJSGJY-ZDUSSCGKSA-N	303.362	1.771	50	20	DDGD	
COC(=O)[C@H]1C[C@H]2CC(=NNC(=O)NCC(F)(F)F)[C@H]1C2	817322939	DDPMSLBBERKVJJ-FXQIFTODSA-N	307.272	1.423	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2c(C)noc2C)cn1	726897816	RNNHJNDINULVIR-UHFFFAOYSA-N	321.362	1.326	50	20	DDGD	
CN(C)c1cc(C#N)cc(C(=O)NNC(=O)c2ccncc2)c1	814359166	ZXFBQICQUNYNNE-UHFFFAOYSA-N	309.329	1.094	50	20	DDGD	
COc1ccccc1CC(=O)NNc1cccc(-c2nn[nH]n2)c1	826219862	TXYKOBKVTYRLJS-UHFFFAOYSA-N	324.344	1.561	50	20	DDGD	
CCC[C@H]1C[C@@H]1NC(=O)NNc1cccc(-c2nn[nH]n2)c1	821034843	VIZZDDMSJANIST-CABZTGNLSA-N	301.354	1.681	50	20	DDGD	
CCn1cnnc1CNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	490611270	PZGSGPNRENXNBF-ACAGNQJTSA-N	323.360	1.040	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2C[C@@H](C)OC3(CCC3)C2)n1	826670525	QPUVYDMUKZRXMQ-GFCCVEGCSA-N	318.377	1.388	50	20	DDGD	
COC(=O)CCn1nc(C)c(C=NNC(=O)C(C)(C)C)c1C	727061365	HHDPXGCAUNTYCE-UHFFFAOYSA-N	308.382	1.559	50	20	DDGD	
CCN1CCC(CNC(=O)NNc2ccc(Cl)nn2)CC1	726277565	CAPRUFOQYPHYED-UHFFFAOYSA-N	312.805	1.488	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H](C)C2CC2)o1	820202696	JXUCBWLDGRNFSO-SSDOTTSWSA-N	305.342	1.467	50	20	DDGD	
N#C/C(=C/c1ccc(-c2nn[nH]n2)s1)C(=O)N1CCCC1	822796817	ZOTBFSSREFTLMC-CLFYSBASSA-N	300.347	1.458	50	20	DDGD	
Cn1cc(C(=O)NN=C2CCN(C(=O)OC(C)(C)C)CC2)cn1	491391356	JENDQUUDXCUTFH-UHFFFAOYSA-N	321.381	1.537	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CCc2ccccc21	825596101	ZIQUAVVWPJZBTP-VHRBIJSZSA-N	303.362	1.429	50	20	DDGD	
CC(C)(C(=O)NN[C@@H](C(=O)O)c1cccnc1)c1ccccc1	826080889	JHJJRPKDCYOEGB-CQSZACIVSA-N	313.357	1.806	50	20	DDGD	
CCn1cnnc1CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	490611290	PZGSGPNRENXNBF-WLRTZDKTSA-N	323.360	1.040	50	20	DDGD	
CN(CC(=O)NNc1ccc(-n2ccnc2)nn1)CC(C)(C)C	822914580	XZHWMCUSGAMCTG-UHFFFAOYSA-N	317.397	1.083	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)c1cnn(-c2ccccc2)c1	491543446	GXQKKIXUPJOJCN-UHFFFAOYSA-N	318.340	1.466	50	20	DDGD	
CC(C)(Cc1cccc(Cl)c1)C(=O)N1CC[C@@H](B(O)O)C1	585070852	HCSBEONXBNMOGW-GFCCVEGCSA-N	309.602	1.984	50	20	DDGD	
CN(CCNC(=O)/C(C#N)=C\c1cnn(C)c1)Cc1ccccc1	491101631	FSCHDJALDUKUEL-YVLHZVERSA-N	323.400	1.575	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1CCCC(F)(F)C1	826739162	IMNACMUIAGJMKH-IVZWLZJFSA-N	305.325	1.320	50	20	DDGD	
Cc1ccc(Br)c(C(=O)NN(C)[C@H](C)CO)c1	823946464	KBTJCWWTFCLDRC-SECBINFHSA-N	301.184	1.715	50	20	DDGD	
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN(C)[C@@H](C)CO	823947262	VKFCYFVOCGZSDD-RYUDHWBXSA-N	317.430	1.270	50	20	DDGD	
CSc1ccc(CCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	823476417	XRGNQVJSBOIDOJ-FZMZJTMJSA-N	322.430	1.914	50	20	DDGD	
Cc1ccc(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)nc1	822233392	NXWFJAUFYGIMOK-UHFFFAOYSA-N	307.317	1.334	50	20	DDGD	
Cc1nc(-c2ccccc2)ncc1C(=O)NN(C)C[C@H](C)O	821218262	WNVLIUNKHDLYSP-NSHDSACASA-N	300.362	1.409	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccccc1NC(=O)C(C)(C)C	823965623	QIBULQVQWNAAFV-NSHDSACASA-N	307.394	1.629	50	20	DDGD	
C=CC[C@@H]1N(C(=O)c2ccc(B(O)O)cc2)CCCC1(C)C	584981475	GLNRCHVPINZGMJ-HNNXBMFYSA-N	301.195	1.573	50	20	DDGD	
Cc1cc(CCNC(=O)c2ccc(B(O)O)cc2)c(C)s1	584946640	WNDQFVHKWDQCIM-UHFFFAOYSA-N	303.192	1.017	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)/C=C\c1ccc(Cl)nc1	492287861	NKSUZJIPNLOVAF-HYXAFXHYSA-N	305.725	1.241	50	20	DDGD	
C[C@@H](CC(=O)N1CC[C@@H](B(O)O)C1)Cc1ccc(Cl)cc1	585064742	JCNDNGKROVFKDZ-DGCLKSJQSA-N	309.602	1.984	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C	495278089	ZTVLXXXWMOMYQG-SNVBAGLBSA-N	316.402	1.182	50	20	DDGD	
CN1CCC(CN(C)C(=O)[C@@]2(C)C[C@@H]2Br)CC1	906569877	XCQJZYJJRPFOTA-AAEUAGOBSA-N	303.244	1.960	50	20	DDGD	
CCO[C@H]1CCCC(=NNC(=O)CNC(=O)c2cccs2)C1	905444438	HAHVGISSBPGSJD-LBPRGKRZSA-N	323.418	1.929	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(-c3nn[nH]n3)cc2)cc1	737106677	WVZHGAXCEWHZRR-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)C(C)(C)c2ccccc2)n[nH]1	738472649	PWOSDTDBPCUELL-UHFFFAOYSA-N	315.377	1.526	50	20	DDGD	
CC(C)(C)C#CC(=O)NNC(=O)c1ccc2c(c1)OCCO2	837321470	IQJKYJIQMHTJQV-UHFFFAOYSA-N	302.330	1.268	50	20	DDGD	
O=C(CCCc1nc(C2CC2)no1)NNC(=O)NC1CCCC1	739713019	RRWSRPAQLINBLH-UHFFFAOYSA-N	321.381	1.543	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCCC2(CCCCC2)C1	584946474	SJPCSPJXSUPROA-UHFFFAOYSA-N	301.195	1.553	50	20	DDGD	
COc1ccc(C(=O)NNc2nccc(OC)n2)c(Cl)c1	730999976	HTUOHJUMJMEZLS-UHFFFAOYSA-N	308.725	1.904	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)cc1C	905096216	VJKAYANNPREGQL-KWCYVHTRSA-N	317.414	1.846	50	20	DDGD	
CC[C@@H](Cc1ccccc1)C(=O)NNC(=O)N1CCOCC1	732755444	WZCPZYDOFSOOJY-AWEZNQCLSA-N	305.378	1.328	50	20	DDGD	
OB(O)c1ccc(CNc2ccccc2N2C[C@H]3CC[C@H]2C3)cc1	585038638	ISPQPNFWJWQBFW-RDJZCZTQSA-N	322.217	1.967	50	20	DDGD	
Cc1cc(Br)oc1C(=O)N1CC[C@@H](B(O)O)C1	585078222	WPQHRBYCZRXHDL-SSDOTTSWSA-N	301.933	1.039	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)ncn1	738241384	USXJRIDPCSPLOK-UHFFFAOYSA-N	317.261	1.148	50	20	DDGD	
Cn1c(NNC(=O)CCC(C)(F)F)nc2ccccc2c1=O	733263030	DFABKQCQGZTLAY-UHFFFAOYSA-N	310.304	1.812	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	838761210	LCGNNAVJUYITSU-NWDGAFQWSA-N	306.322	1.583	50	20	DDGD	
COc1cc(C(=O)NN=Cc2cnn(C)c2)cc(OC)c1OC	917208891	VHMJFKJJNIPUNL-UHFFFAOYSA-N	318.333	1.210	50	20	DDGD	
O=C(N[C@H]1CC[C@H](Cc2ccccc2)C1)c1ccc(B(O)O)cc1	584979152	MCMJATKUTSODFD-QAPCUYQASA-N	323.201	1.508	50	20	DDGD	
CNc1ccc(C(F)(F)F)cc1C(=O)NN(C)C[C@@H](C)O	910141607	VLNVMWIWFLOTFC-MRVPVSSYSA-N	305.300	1.705	50	20	DDGD	
N#CSCCCNS(=O)(=O)c1ccc2c(c1)CCCO2	916985609	JZCBEINZIBFCLZ-UHFFFAOYSA-N	312.416	1.894	50	20	DDGD	
O=C(NC[C@@H]1COc2ccccc2C1)NNC(=O)c1ccc[nH]1	916198190	FCPFXKFLMQIXLX-LLVKDONJSA-N	314.345	1.210	50	20	DDGD	
Cn1cc(CCC=NNC(=O)COc2ccc(C#N)cc2)cn1	834922423	QSVNVEHYNUPXTE-UHFFFAOYSA-N	311.345	1.405	50	20	DDGD	
Cc1cccc(OCC(=O)NN[C@@H](C(=O)O)c2cccnc2)c1	832972064	HYPWOMMYRFOUSR-OAHLLOKOSA-N	315.329	1.216	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)Cc2ccccc2OC)[nH]1	747632781	IMQOUZDWLBFNBF-UHFFFAOYSA-N	315.329	1.503	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1ccc2c(c1)CC(=O)N2	748259979	NSPGQZQTGMMIAL-NSHDSACASA-N	319.361	1.073	50	20	DDGD	
COc1ccc(C=NNC(=O)NCC(F)(F)F)cc1OC	917550847	CYNWTPKDXHKXFB-UHFFFAOYSA-N	305.256	1.899	50	20	DDGD	
C[C@H]1Cc2ccccc2CN1C(=O)NNC(=O)c1ncccn1	841591748	FOFYWJIEPMFQSR-NSHDSACASA-N	311.345	1.278	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)COc1ccccc1OC	749756417	IOURNYCEROGEQI-SNVBAGLBSA-N	311.407	1.368	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@H](CN)C1CC1)c1ccccc1	841945576	SARYVDUSNCUNOT-UONOGXRCSA-N	304.394	1.248	50	20	DDGD	
CC(F)(F)CCC(=O)NNC(=O)COc1ccc(F)cc1	915694778	IWQOQIHHMAUVRI-UHFFFAOYSA-N	304.268	1.787	50	20	DDGD	
Cc1[nH]nc(C(F)(F)F)c1C(=O)NNC(=O)NCC1CC1	746592717	UISIJKWKSFSJJK-UHFFFAOYSA-N	305.260	1.091	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H]1SCCc2ccccc21	742582716	BLPAUSNNIAOWSE-ZDUSSCGKSA-N	323.418	1.384	50	20	DDGD	
COCCCCNC(=O)NNc1ncc(Br)cn1	847284970	AABIFOBDHPVQQT-UHFFFAOYSA-N	318.175	1.292	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=S)Nc1ccc(Cl)nc1	843276941	KZQUFHWSKWUKEW-VXNVDRBHSA-N	314.798	1.478	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1	845272165	PULUKWPARHWRQG-GXTWGEPZSA-N	316.361	1.720	50	20	DDGD	
COc1ccc(C2(C(=O)NN(C)C[C@H](C)O)CCOCC2)cc1	910167745	JWMIOWVSANHXDD-ZDUSSCGKSA-N	322.405	1.087	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C(=O)[C@H]2CC(=O)N2)C1	910055763	WHEOBICHSQALHL-NWDGAFQWSA-N	312.486	1.888	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1	843645674	RWKFKRQAOMNUFB-HBEIAFGSSA-N	306.337	1.502	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H]2CCCCN2)c1	841920020	AGOPKQBROZDMHO-CYBMUJFWSA-N	306.366	1.241	50	20	DDGD	
Cc1nc(CCCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cs1	843655505	VUTRYDOXVOTVNC-CABZTGNLSA-N	311.407	1.347	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC[C@H]2CCNC2)c1	841938625	NXBYYRCIAPYXRK-LLVKDONJSA-N	306.366	1.099	50	20	DDGD	
O=C(NNc1ccncn1)[C@H]1CCO[C@@H](c2ccccc2)O1	848164018	UMYWOCKXTXRDMB-IUODEOHRSA-N	300.318	1.424	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cccc(C(=O)O)c1Cl	842549453	MKLDQRFQJWJZIJ-WPRPVWTQSA-N	310.737	1.913	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@@H](c2ccncc2)C1	846907159	FPCHXWYCRKOZMC-DZGCQCFKSA-N	318.421	1.453	50	20	DDGD	
Cc1nc(C2CC2)ccc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843660072	KLYWYWCNQRCQCV-GXFFZTMASA-N	303.362	1.453	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1cccc(OC(F)F)c1	744828125	VIZRWKGXMJTZOC-UHFFFAOYSA-N	311.288	1.407	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1cnnn1-c1ccccc1	842561674	SANUXPVYOXHAPJ-OCCSQVGLSA-N	313.361	1.533	50	20	DDGD	
CC(=NNC(=O)Cc1csc(C)n1)c1cc2n(n1)CCC2	841609608	CHBVPJFTDHGZEJ-UHFFFAOYSA-N	303.391	1.677	50	20	DDGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1nccn2ccnc12	743485815	QFOGHTFTHSBBCU-UHFFFAOYSA-N	322.250	1.900	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)N[C@@H]1CCN(CC(F)F)C1	841593630	CREQDWQRAIOYDQ-SECBINFHSA-N	319.743	1.701	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNc1ccc(F)c([N+](=O)[O-])c1	842251196	OQRBLRWFYKWWGX-SECBINFHSA-N	312.301	1.325	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cc3c(s2)CCC3)ncn1	929277906	HBLNKYSLSVTDOE-UHFFFAOYSA-N	318.358	1.110	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1cn(-c2ccccc2)nn1	755217092	GSNMZMFUICZLAN-UHFFFAOYSA-N	316.365	1.144	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H]2CCCO2)c1C	853204088	SRRMBIZOOIWLSK-LLVKDONJSA-N	307.350	1.587	50	20	DDGD	
CCCC[C@@H](C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)C(C)C	857573194	WIEXMCRUHLCILE-ZIAGYGMSSA-N	318.483	1.941	50	20	DDGD	
O=C(NN=Cc1cnc(N2CCOCC2)s1)NC1CCCC1	755672630	HPJOTMMJILGBCT-UHFFFAOYSA-N	323.422	1.555	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccnn1C1CCCC1)C1CC1	855099460	ZRGPWWFZYQFDPS-JTQLQIEISA-N	321.450	1.906	50	20	DDGD	
CNC(=S)N(C)NC(=O)Cc1nc(-c2ccccc2)oc1C	854927144	WMVOBOFNWBUMKE-UHFFFAOYSA-N	318.402	1.660	50	20	DDGD	
COc1ccc2c(c1)CCN(CC(=O)NNC(=O)C(C)(C)C)C2	852550518	JKDPDUCIWFALGD-UHFFFAOYSA-N	319.405	1.247	50	20	DDGD	
COC(=O)CCC(C)=NNC(=O)c1cc([N+](=O)[O-])ccc1O	756895316	MNTPSBYHBKDNQO-UHFFFAOYSA-N	309.278	1.359	50	20	DDGD	
CSCc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1	755283574	ZDTHMYKEJZJBPV-UHFFFAOYSA-N	304.375	1.276	50	20	DDGD	
C[C@]1(CNC(=O)NCCCn2cncn2)C[C@H]1Br	856824304	FFBFTEWLHVZAAY-MWLCHTKSSA-N	316.203	1.141	50	20	DDGD	
COCCCC(C)=NNC(=O)c1nn(C)c(=O)c2ccccc12	759185034	KWEDVWHHJHAWKX-UHFFFAOYSA-N	316.361	1.466	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1cnc([C@H]2CCCO2)s1	755585982	DDXBZOQHWKYMMX-LLVKDONJSA-N	322.390	1.067	50	20	DDGD	
CCOCCn1cc(C(=O)NNc2cccc(F)c2F)cn1	857138868	UNOPODQBABWMMZ-UHFFFAOYSA-N	310.304	1.955	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1csc(C=O)c1	854282142	DVVSHROUDRCBTN-UHFFFAOYSA-N	315.420	1.048	50	20	DDGD	
CC(C)Nc1ccc(C(=O)NNC(=O)CC(F)(F)F)cn1	752792949	DVDYLLZSPQDRNG-UHFFFAOYSA-N	304.272	1.615	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2C[C@@H]2C2CC2)cc1C	751298060	WWWPCKGPFAVWMO-CABCVRRESA-N	302.374	1.876	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNC(=O)OCC(F)(F)F	856023536	MZSUCSVASQDDNY-UHFFFAOYSA-N	313.276	1.003	50	20	DDGD	
CC[C@@H]1COCC1=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1	853280596	HJBYICPKLRXYSJ-YIYPIFLZSA-N	311.426	1.260	50	20	DDGD	
COC(=O)Cc1csc(NC(=O)NNC(=O)CC(C)C)n1	920933347	MYKKRHQQAQPPSO-UHFFFAOYSA-N	314.367	1.057	50	20	DDGD	
COCCCNC(=O)NNC(=S)N[C@H]1CCCC[C@H]1C	920833526	WRHNWJXFCJMUDG-MNOVXSKESA-N	302.444	1.280	50	20	DDGD	
CCN1C[C@H](NC(=O)NNc2cc(Cl)ccc2C)CC1=O	922722229	ORNVNVNJBFQTDM-LLVKDONJSA-N	310.785	1.895	50	20	DDGD	
C[C@H](CO[C@@H]1CCOC1)NC(=O)NNc1ccc(F)c(F)c1	921387268	FAEUUTDCCXSJBA-MWLCHTKSSA-N	315.320	1.785	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cn2cnc3c2CCCC3)cc1	757688626	DHGUOKCARXBQOE-UHFFFAOYSA-N	312.373	1.532	50	20	DDGD	
CCNC(=O)CCCC(=O)NNc1ccc([N+](=O)[O-])cc1F	855620622	BAJLECBGMBQWTH-UHFFFAOYSA-N	312.301	1.483	50	20	DDGD	
O=C(NNc1ncccn1)[C@H]1CCN(C(=O)c2ccccc2)C1	858320274	RLUYYEKHUBQPBF-ZDUSSCGKSA-N	311.345	1.082	50	20	DDGD	
COc1cc(C=NNC(=O)N2CCOCC2)c2c(c1)C[C@H](C)O2	755672774	OADINOAZTCELHX-NSHDSACASA-N	319.361	1.394	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)c2cccc(F)n2)CCS1	852708438	BJVCVPDVIRFMSF-VIFPVBQESA-N	312.370	1.403	50	20	DDGD	
Cn1nnc2c1CC[C@H](NC(=O)NNc1ccc(Cl)cn1)C2	852402661	PBAMBQGCMSANRU-VIFPVBQESA-N	321.772	1.047	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2cnccn2)CN1Cc1ccccc1	757586548	NTZJDTYELJGOFI-ZDUSSCGKSA-N	309.373	1.857	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)N[C@@H]1CCN(CC(F)F)C1	852385001	IZICINFEJXXVAW-SECBINFHSA-N	319.743	1.701	50	20	DDGD	
COCC(C)(C)C=NNC(=O)Cn1nnc(-c2ccccc2)n1	754895111	INIMNYHEGBBGGE-UHFFFAOYSA-N	316.365	1.115	50	20	DDGD	
O=C(Cc1csc(-c2cccnc2)n1)NNc1ccncn1	857520127	NOSOYOLBFGXRFR-UHFFFAOYSA-N	312.358	1.681	50	20	DDGD	
CC(=O)N[C@](C)(C(=O)NNC(=O)Cc1ccccc1F)C(C)C	932378315	SRMDBQHJXHBDOW-INIZCTEOSA-N	323.368	1.066	50	20	DDGD	
O=C(NNC(=O)c1ccccc1OC1CCC1)c1cn[nH]c1	862471668	JWLHXDSUOFUELS-UHFFFAOYSA-N	300.318	1.416	50	20	DDGD	
CCn1cc(C(=O)NNc2ncc(Cl)cn2)c(C2CC2)n1	869355018	SOTIYMSSSHHHPG-UHFFFAOYSA-N	306.757	1.981	50	20	DDGD	
C[C@H](C=NNC(=O)c1nn(C)c(=O)c2ccccc12)CCC#N	765995884	ZZQDZTGSMPTZJG-NSHDSACASA-N	311.345	1.589	50	20	DDGD	
C[S@](=O)C1(CNS(=O)(=O)CC(C)(C)CCl)CC1	867228270	OBPZSFRXIIAACH-INIZCTEOSA-N	301.861	1.082	50	20	DDGD	
Cc1cc(=NNC(=O)C(=O)Nc2cccc3c2CCCC3)cc[nH]1	861956785	DDIPQEGZEWFQKJ-UHFFFAOYSA-N	324.384	1.773	50	20	DDGD	
CCC(CC)[C@H](C(=O)NNc1cccc(C)n1)N1CCOCC1	862522694	CXAVQPOZPOKSLT-MRXNPFEDSA-N	320.437	1.970	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1cnn(CC2CC2)c1	864517561	WTSWKYCCJSCFDL-UHFFFAOYSA-N	316.336	1.436	50	20	DDGD	
COc1ccc2c(c1)[C@@H](C(=O)NNC(=O)CC(F)(F)F)CC2	762844974	RZOLCUFVGKHWCB-JTQLQIEISA-N	316.279	1.825	50	20	DDGD	
CC(C)(C(N)=O)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	768091439	XIRYOLZPBLUCDK-UHFFFAOYSA-N	300.702	1.203	50	20	DDGD	
Cc1oc2ccccc2c1CC(=O)NNC(=O)c1cnn(C)c1	767091752	MBNAPBPMHGCOOM-UHFFFAOYSA-N	312.329	1.478	50	20	DDGD	
Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1ccnnc1	761197255	GPMQJTNWHDGGEL-UHFFFAOYSA-N	320.736	1.278	50	20	DDGD	
COC(=O)[C@@](C)(O)CNC(=O)CCCC[C@H]1CCSS1	763279148	JJXPSJAOXDLWDI-GWCFXTLKSA-N	321.464	1.741	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1	762944920	JQHZCMPEEJXHLS-VIFPVBQESA-N	308.363	1.380	50	20	DDGD	
C[C@@H](c1ccccc1F)[C@@H](O)C(=O)NNC(=O)NC1CCCC1	865038035	HSRNJBJQXHSRAP-IINYFYTJSA-N	323.368	1.563	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1c(F)cc(Cl)cc1F	763441755	ZMKKFYSYMCTAMT-UHFFFAOYSA-N	305.668	1.114	50	20	DDGD	
CCCC(=NNC(=O)CS(C)(=O)=O)c1ccc(OC)cc1	863185886	GIKOSSDAJOUXHI-UHFFFAOYSA-N	312.391	1.360	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ncc(F)cc2F)c1	760490694	CFKYCPVHFOYDOS-UHFFFAOYSA-N	307.256	1.903	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)n1	862519758	QYJVMDBBVXWCAE-SFHVURJKSA-N	324.384	1.681	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2ccc3c(c2)COC(C)(C)O3)cn1	766024276	CHXARLXEGCNYOW-UHFFFAOYSA-N	314.345	1.829	50	20	DDGD	
OB(O)c1ccccc1CNc1ccccc1OCC(F)F	864022009	JOZSGCUQMJVYEG-UHFFFAOYSA-N	307.105	1.622	50	20	DDGD	
O=C(NNC(=O)c1cnc([C@@H]2CCCO2)s1)NC1CCCC1	760382740	RJZHLWXQYRVFDE-JTQLQIEISA-N	324.406	1.881	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccncc2)c1[N+](=O)[O-]	767395532	BHKIZYRWXVKCNW-UHFFFAOYSA-N	316.273	1.073	50	20	DDGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1ccc(O)nn1	761580917	JDXRCWWUFBJXIQ-UHFFFAOYSA-N	314.223	1.838	50	20	DDGD	
COc1nc(C(=O)NNC(=S)NC(C)C)cc2ccccc12	1115906372	NIHSAHAFZHKPTI-UHFFFAOYSA-N	318.402	1.761	50	20	DDGD	
COCC(=O)NN=C(C)c1ccc(S(=O)(=O)C(F)F)cc1	761815944	BZBXJZVDDWNQGH-UHFFFAOYSA-N	320.317	1.170	50	20	DDGD	
CCOc1ccc(CC(=O)O[C@@H](C)C(=O)NNC(=O)CC)cc1	771845592	ITAAMVMPLLOKKS-NSHDSACASA-N	322.361	1.117	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNC(=S)Nc1cc(C)ccc1C	873756899	PPMZCGXXXWRTCX-OAHLLOKOSA-N	307.419	1.948	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNc2nc3ccccc3n2C)n1	879947792	OBMKWMAGGMIKJP-NSHDSACASA-N	312.377	1.858	50	20	DDGD	
CCOc1ccccc1[C@H](CC)NCC(=O)NNC(=O)C1CC1	775088745	WXVRCPSCJBGWSA-AWEZNQCLSA-N	319.405	1.683	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2cnccc2N(C)C)cs1	776179106	LIKLUFGPVXRJGP-UHFFFAOYSA-N	303.391	1.605	50	20	DDGD	
O=C(CO)NN=C1CCOc2c(F)cc(Br)cc21	776783150	XXPDJLHBJARVSV-UHFFFAOYSA-N	317.114	1.183	50	20	DDGD	
CC(C)NC(=O)/C(C#N)=C/c1ccc(N2CCN(C)CC2)cc1	771520267	LZBRSHKXBKUKOA-FOWTUZBSSA-N	312.417	1.870	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1ccccc1O	771882243	SMKOGSREQCCWSH-JTQLQIEISA-N	308.334	1.131	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NNc1ccc(Cl)nn1	878886265	DRYXSLPDEFKMPU-MADCSZMMSA-N	306.757	1.662	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccccc1Br	872402647	MHYDYDDXCRGHHL-UHFFFAOYSA-N	315.167	1.562	50	20	DDGD	
O=C(NN=Cc1cccc(Br)n1)c1cnccn1	777882491	XZPRIFALFGRJNU-UHFFFAOYSA-N	306.123	1.398	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)CNc1ccccc1OC	770590015	FDLFYLKITCBDCN-UHFFFAOYSA-N	315.377	1.553	50	20	DDGD	
CCO[C@H](C(=O)O[C@@H](C)C(=O)NNC(=O)CC)c1ccccc1	772041268	BZTJRTFBAXXMTN-FZMZJTMJSA-N	322.361	1.253	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCNc1ccccc1[N+](=O)[O-]	770543052	MZPYHVUOCYDOME-UHFFFAOYSA-N	309.326	1.089	50	20	DDGD	
CC[C@H](CO)C(=O)NNC(=O)c1c(Cl)cccc1Cl	779765300	SCWFDNZFWCEAAT-SSDOTTSWSA-N	305.161	1.773	50	20	DDGD	
Cc1ncc(C(=O)NNc2ccc(C(F)(F)F)cn2)c(N)n1	776263611	GRDHVGQLXNEZGA-UHFFFAOYSA-N	312.255	1.538	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](C)n1ccc(C(F)(F)F)n1	887153003	DPXPWFZEFRPBJX-VIFPVBQESA-N	316.283	1.414	50	20	DDGD	
O=S(=O)(CCCCl)N1C[C@H](CO)Cc2ccccc21	882213083	USXTUYVVPQOBLK-LLVKDONJSA-N	303.811	1.616	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2	887148312	WWPXXGZMUNKMEY-PKZYVASSSA-N	318.295	1.293	50	20	DDGD	
CSc1cc(C(=O)NNC(=O)C2CCOCC2)ccc1F	883067368	FZMUVHAFLFCLML-UHFFFAOYSA-N	312.366	1.735	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2ccc(C)nc2C)nc(C)n1	783326920	PQSYMFDTKXGGQH-UHFFFAOYSA-N	314.349	1.187	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCC(=O)OCC1CC1	781084230	ITUFZJKTDILNCR-JTQLQIEISA-N	306.200	1.865	50	20	DDGD	
CC1(NC(=S)NNC(=O)c2ccc3c(c2)OCCO3)CC1	789175974	OKQJFFSDWILQKF-UHFFFAOYSA-N	307.375	1.119	50	20	DDGD	
O=C(NNc1ncc(F)cn1)C(=O)Nc1cccc(Cl)c1	784950397	YVRYGGFDLZYVSN-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CN(C)c1nc2ccccc2s1	780709846	UCQYBMMGKAQJOF-UHFFFAOYSA-N	321.406	1.425	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)C(C)C)cccc1N1CCNC1=O	786316037	NQLJLHCULRLOFN-UHFFFAOYSA-N	319.365	1.333	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2nc3ccccc3[nH]2)ccn1	787910623	PBIQRVBGUIMTCT-UHFFFAOYSA-N	311.301	1.501	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1cc(C(=O)O)ccc1C	788422109	MFNXSHSYKZZQCL-UHFFFAOYSA-N	314.345	1.808	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C[C@H]1C(=O)Nc2ccccc21	899995639	YMSTYVFZJHFFTP-SNVBAGLBSA-N	320.418	1.406	50	20	DDGD	
Cc1nc(NC(=O)NNC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)no1	781112109	PXKBTRFEJINVRE-CIUDSAMLSA-N	310.383	1.067	50	20	DDGD	
Cc1cnc(Cl)c(NC(=O)C(=O)NNC(=O)C2CCCC2)c1	787888652	DQGPYADIFVXKEO-UHFFFAOYSA-N	324.768	1.320	50	20	DDGD	
Cc1cncc(CCC(=O)NNC(=O)c2ccc(C#N)cc2)c1	794261373	NDLDXTPUUGGHLR-UHFFFAOYSA-N	308.341	1.656	50	20	DDGD	
CCOCC1(C(=O)NNc2ccccc2S(C)(=O)=O)CC1	799695770	HSIYUABHMFNKDS-UHFFFAOYSA-N	312.391	1.350	50	20	DDGD	
CN1CCCC[C@H](CNC(=O)NNc2cccc([N+](=O)[O-])c2)C1	897544612	UJLUSYJEVPRJJG-GFCCVEGCSA-N	321.381	1.953	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@H]1Cc2ccc(F)cc21	793763373	AXWTUCAODHLYNY-NSHDSACASA-N	313.423	1.324	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2	798306962	ZZIGYAAQIIUKSJ-UHFFFAOYSA-N	318.402	1.211	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)c2cnn(C)c2)[C@@H](n2cncn2)C1	794516108	YOYVUHUWMJDMAQ-MFKMUULPSA-N	301.354	1.159	50	20	DDGD	
CCc1occc1C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1	798105716	CUHVWYPOGJYIFP-VXGBXAGGSA-N	323.393	1.102	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)c1cnc(C(=O)OC)cn1	799756772	KMOPNWVCKJTIOR-UHFFFAOYSA-N	314.345	1.891	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42	793207805	SIATVRMVOOWFOT-GLBFMCIGSA-N	301.390	1.121	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(CC1CCC1)[C@@H](C)CO	796555655	QXGJXIYQPWHKJB-STQMWFEESA-N	313.442	1.051	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN[C@H]2CSC[C@@H]2C)cc1	796401538	DWSFYXLQTWOALR-AAEUAGOBSA-N	307.419	1.097	50	20	DDGD	
CC(=NNC(=O)c1c(C)nc2ccccn12)c1cc(C)n(C)n1	799868707	SNAKNNQTDQSQDO-UHFFFAOYSA-N	310.361	1.839	50	20	DDGD	
CCOc1ccc(C(=O)NN=Cc2c(C)cnn2C)cc1OC	794877430	HOAMDBZPEYMVMI-UHFFFAOYSA-N	316.361	1.900	50	20	DDGD	
CC(C)C1CCC(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)CC1	794889135	PJHDRBVPDZYMFG-JXQTWKCFSA-N	314.451	1.986	50	20	DDGD	
COCCCNC(=O)NNC(=O)C1CC(c2ccc(F)cc2)C1	794246097	DMWIGOQMUFIJBQ-UHFFFAOYSA-N	323.368	1.686	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C[C@@H](C)n2nc(C)cc2C)n1	794073226	ZPXQKSUTNVVNAY-CYBMUJFWSA-N	315.377	1.616	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)c1cc(C)nc2ccccc12)C(C)C	799007373	XWWCPAKCSVKJGA-HNNXBMFYSA-N	315.373	1.975	50	20	DDGD	
Cc1cnn(C)c1C=NNC(=O)[C@@H](C)Oc1ccc(F)cc1	794878552	QMQFTKACAODHRU-LLVKDONJSA-N	304.325	1.785	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CCC3(CN(C)C3)C2)cc(C#N)n1C	791249119	NIAPZEVNXRRJCA-UUASQNMZSA-N	323.400	1.276	50	20	DDGD	
Cc1cnn(CC2CC2)c1NC(=O)NNc1ncncc1F	1324188907	KUZDKSIHWQZRCF-UHFFFAOYSA-N	305.317	1.679	50	20	DDGD	
CNC(=O)/C(C#N)=C/c1ccc(N2CCN(C)CC2)c(F)c1	1248747624	URVGHHXRYMQDSB-UKTHLTGXSA-N	302.353	1.230	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2cnc3ccccc3n2)no1	1320385373	IEAWPHYDCNYYCL-UHFFFAOYSA-N	312.289	1.008	50	20	DDGD	
CC(=NNC(=O)C[N+](C)(C)C)[C@@H]1CCN(Cc2ccccc2)C1	1325011655	MJAKORODFMOFMB-QGZVFWFLSA-O	317.457	1.707	50	20	DDGD	
CN[C@H](C)CCNC(=O)NNc1ccc(OC(F)F)cc1	1331456905	SRKKWMKDXNUXRN-SECBINFHSA-N	302.325	1.912	50	20	DDGD	
CC1CCN(CCC(=O)NN=C2C[C@@H](C)N(C3CC3)C2)CC1	1331678546	ANGIIFILZZQDGD-CQSZACIVSA-N	306.454	1.837	50	20	DDGD	
COCCOCC(=O)NNC(=O)[C@@H](C)CC1CCCCC1	1332170081	HLKXWCQOWSPMMF-LBPRGKRZSA-N	300.399	1.403	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1c(Cl)ccnc1Br	1347684524	FHRDEFOXXQWVPU-LURJTMIESA-N	322.590	1.455	50	20	DDGD	
CN(C)CC1(O)CCN(C(=O)C2CCC(Cl)CC2)CC1	1350143343	JLORWLNYYYXJSE-UHFFFAOYSA-N	302.846	1.699	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)N[C@H]2CCC[C@@H]2CCO)cc1	1602127054	DKNYBDBHESZLEX-OCCSQVGLSA-N	321.377	1.491	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@]2(C)CCCO2)ccc1C(=O)O	1605202421	UQMCRFVLJNNYGE-OAHLLOKOSA-N	321.333	1.415	50	20	DDGD	
O=C(O)c1cc(NNC(=O)c2cc(F)cnc2O)ccc1F	1602287523	IZEUNUIVZNZZAV-UHFFFAOYSA-N	309.228	1.521	50	20	DDGD	
O=C(CNc1ccccc1)NN=C1C[C@H]2C[C@@H](C(=O)O)[C@H]1C2	1601329780	QYXZDVUYLJKXDY-RAIGVLPGSA-N	301.346	1.701	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1ccc(-c2nn[nH]n2)c(F)c1	1604413868	LBGMHYIULWZAGQ-NTMALXAHSA-N	316.296	1.066	50	20	DDGD	
CC(=O)c1cc(C(=O)NNc2ccc(F)c(C(=O)O)c2)n(C)c1	1603099293	GOGUDCJTCLXOCX-UHFFFAOYSA-N	319.292	1.822	50	20	DDGD	
CCCNC(=O)NN=Cc1c(F)cc(-c2nn[nH]n2)cc1F	1604222492	XNOIYZNFXKIJND-UHFFFAOYSA-N	309.280	1.188	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)c1ccc(C(=O)O)c(F)c1	1600590009	OHUIYGQGZKTTST-UHFFFAOYSA-N	317.276	1.302	50	20	DDGD	
Cc1cc(C(=O)O)oc1C(=O)NNC(=O)c1cccc(Cl)n1	1600133844	YPTFMFVCVUACBU-UHFFFAOYSA-N	323.692	1.409	50	20	DDGD	
C[C@H]1CNCC[C@@H]1NC(=O)NNc1ccc(C(=O)O)cc1F	1609878567	PLXFRHNZFJMJMI-KWQFWETISA-N	310.329	1.148	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1cc(C)ccc1F	1549320183	KVYCQCNGLSRGHI-XJKSGUPXSA-N	319.380	1.838	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNc1ccc(C(=O)O)cn1	1610632851	HZTVGIBAUATDLF-UHFFFAOYSA-N	312.285	1.174	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1ccc(F)cc1C	1549317136	JTIOFICTLDUDJS-GDBMZVCRSA-N	319.380	1.838	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@@H]2C=NNC(=O)c2cccnc2)cn1	1552448524	UFBVVJZSMKIABB-IUODEOHRSA-N	313.361	1.699	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C=NNC(=O)CC(F)(F)F	1552445942	AQKACMYQJQJCKX-BXKDBHETSA-N	318.299	1.942	50	20	DDGD	
CCN(C(=O)NC[C@@]1(C)C[C@H]1Br)C1CCNCC1	1577636936	QDGZAMCJPXVQJQ-DGCLKSJQSA-N	318.259	1.943	50	20	DDGD	
C=C(Cl)C[C@H](N)C(=O)NNC(=O)c1nc2ccccc2s1	1574856744	GDEHORJZTQKIQR-QMMMGPOBSA-N	324.793	1.527	50	20	DDGD	
CC1(C)[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2O)C[C@H]1N	1576372158	OYWBDHRTFPSLOO-MWLCHTKSSA-N	311.769	1.180	50	20	DDGD	
C/C(=C\CNC(=O)NNC(=O)C(C)(C)c1ccccc1)C(=O)O	1588975429	YURLXQBLWPEDSY-PKNBQFBNSA-N	319.361	1.326	50	20	DDGD	
CC(C)(C)[C@@H](O)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1841313972	GKSZXKQFTPZUPK-VHSXEESVSA-N	320.792	1.131	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2cccn(CC(=O)O)c2=O)c1	1594364469	FXZRUQNRURZFJB-UHFFFAOYSA-N	319.292	1.137	50	20	DDGD	
CC[C@H](C)[C@@H](NNC(=O)Cn1ccc2ccccc21)C(=O)O	1594922425	ZPEQTFAMAROPCQ-XHDPSFHLSA-N	303.362	1.761	50	20	DDGD	
CC(CC(C)(C)CC(=O)O)=NNC(=O)Cn1nc(C)cc1C	1592443824	GPGZAPXBNSPDLA-UHFFFAOYSA-N	308.382	1.883	50	20	DDGD	
C[C@@H](CN(C(=O)/C(C#N)=C\c1cnn(C)c1)C1CC1)C(=O)O	1592552364	WTZYQRKZWYCVLU-IUIMMGEKSA-N	302.334	1.039	50	20	DDGD	
O=C(O)CCC(Cc1ccccc1)=NNC(=O)Cc1cc[nH]n1	1595000406	KMTRSICMQBMZGB-UHFFFAOYSA-N	314.345	1.532	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=C(C)c1cccc(OCC(=O)O)c1	1776102150	IFGJPTSXSDLOEF-UONOGXRCSA-N	320.345	1.415	50	20	DDGD	
COc1cc(C(=O)O)ccc1C=NNC(=O)c1ccc(CO)o1	1776097461	HVXAKMNOXCIQLP-UHFFFAOYSA-N	318.285	1.243	50	20	DDGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3c(C(=O)O)cnn3C)nc12	1777476287	UKXMEDZOCUPYSI-UITAMQMPSA-N	308.301	1.762	50	20	DDGD	
O=C(NCC(F)(F)F)NN=Cc1ccc(C(=O)O)c(O)c1	1776036343	AAXAUIOMIRHVIV-UHFFFAOYSA-N	305.212	1.286	50	20	DDGD	
CCCC(=O)NNC(=O)COc1ccc(Br)cc1	5950936	XTZDZZVOHGEAHE-UHFFFAOYSA-N	315.167	1.775	50	20	DDGD	
O=C(NNC(=O)c1cc(F)cc(Cl)c1O)c1ccccc1O	160430318	ZFAOHFCMVMMUAM-UHFFFAOYSA-N	324.695	1.965	50	20	DDGD	
C[C@@H]1OCC[C@@H]1SCC(=O)NNC(=O)c1ccc(F)cc1	163944334	OEVUBKFNNRKCHF-CABZTGNLSA-N	312.366	1.497	50	20	DDGD	
Cc1ccc(F)c(OCC(=O)NNC(=O)c2c[nH]nc2C)c1	164812277	QIHXVJQWDIXIID-UHFFFAOYSA-N	306.297	1.006	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)[nH]n1	153896105	XCYZVIYLFWGJCJ-IUCAKERBSA-N	318.299	1.848	50	20	DDGD	
NC(=O)CC[C@H]1CCCN(S(=O)(=O)CCCCCl)C1	154042126	JWLDWHTWGFDOJR-LLVKDONJSA-N	310.847	1.313	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)CCn2ccc3ccccc32)nn1	154288535	NDCWTIACKRPNKP-UHFFFAOYSA-N	324.344	1.064	50	20	DDGD	
COCCC1(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)CC1	156788236	MLMFUWIJXBVMBB-LLVKDONJSA-N	324.352	1.557	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNC(=O)c1cccnc1	159015950	FIHUSXJRWBWTIE-SECBINFHSA-N	301.350	1.376	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2)c(C)n1	159459127	OUYZRHALEFDRKS-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
O=S(=O)(CBr)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2	363700199	MMVLZIJALKKONL-IVZWLZJFSA-N	324.240	1.606	50	20	DDGD	
Cc1cc(C)c(NCC(=O)NNC(=S)NC(C)C)c(C)c1	7531637	CLWODKMWZIHUQG-UHFFFAOYSA-N	308.451	1.927	50	20	DDGD	
CCCNC(=O)CCC(=O)NNC(=O)c1cc2ccccc2o1	177723302	OZEPTPSHIZELAP-UHFFFAOYSA-N	317.345	1.500	50	20	DDGD	
Cc1cccnc1[C@H](NC(=O)NNC(=O)[C@@H]1CCCO1)C(C)C	115841559	MRVFDSVECZJSRP-QWHCGFSZSA-N	320.393	1.597	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1	103424236	ZGZQPHBMOWIABI-LSDHHAIUSA-N	313.332	1.714	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)NC(=O)OCc1ccccc1	24608859	AGXGBUHYABQSHM-LBPRGKRZSA-N	321.377	1.495	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccnc2ccccc12	175800715	BINJMBDKYNAYGY-UHFFFAOYSA-N	306.325	1.634	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)c1cccc(OC)c1O	66921709	SSLJLJDUEOIPHE-SNVBAGLBSA-N	308.334	1.143	50	20	DDGD	
O=C(CN1C[C@H]2CCCC[C@H]2C1)NNC(=O)c1ccc(F)cc1	177526759	VGCSWPXERQXPPC-OKILXGFUSA-N	319.380	1.709	50	20	DDGD	
NC(=O)c1cccc(NC(=O)NNc2cnc3ccccc3n2)c1	171564169	ZAUOXIIMWYSFOR-UHFFFAOYSA-N	322.328	1.877	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](C)c1ccc(F)cc1F	66687632	WZXVLEHDZCHYEB-MRVPVSSYSA-N	301.293	1.393	50	20	DDGD	
CN(C)c1ncccc1C(=O)NNC(=O)c1ccc(C#N)cc1	61462308	CQRZTWONACJYMK-UHFFFAOYSA-N	309.329	1.094	50	20	DDGD	
O=C1O[C@@H](C(=O)NNc2nccnc2Cl)Cc2ccccc21	114896507	QLRLBFDGKSBDNG-SNVBAGLBSA-N	318.720	1.355	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)COC1CCCCC1	67435887	VLOAIOYOBSIETQ-UHFFFAOYSA-N	306.362	1.806	50	20	DDGD	
C[C@H]1CN(CCI)C[C@H](C)S1=O	306337353	WKKPTHNGESSTHH-YUMQZZPRSA-N	301.193	1.263	50	20	DDGD	
Cn1cc(CCC(=O)NNC(=O)c2cc3ccccc3o2)cn1	177748980	XCQJQFKHRLLYEY-UHFFFAOYSA-N	312.329	1.560	50	20	DDGD	
CCCN(CC)CCNC(=O)NNC(=O)c1ccc(C)s1	175783332	PCFFQUODAYGLIB-UHFFFAOYSA-N	312.439	1.732	50	20	DDGD	
O=S(=O)(CBr)N1CCC[C@@H]1c1cccnc1	127015723	HAKFATABYIYESO-SNVBAGLBSA-N	305.197	1.901	50	20	DDGD	
O=C(NN=C1CCN(C2CCCCC2)CC1)c1cnccn1	63382164	AWZMUHGVTRVITG-UHFFFAOYSA-N	301.394	1.991	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(OCCN(CC)CC)cc1	65189416	ZXCFWBOLURFXMC-UHFFFAOYSA-N	322.409	1.371	50	20	DDGD	
CCc1cnc(CNC(=O)NNc2cncc(Cl)n2)s1	173395242	OXIQSMBIAXYTDH-UHFFFAOYSA-N	312.786	1.975	50	20	DDGD	
C[C@@H]1CN(CCC(=O)NNC(=O)CCC2CCC2)C[C@@H](C)O1	175000962	BCPNPPNSEWIOHQ-CHWSQXEVSA-N	311.426	1.213	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)[C@H](C)N(C)C)[nH]n2)cc1	129532017	IAVKLLUUPQAXQH-NSHDSACASA-N	315.377	1.096	50	20	DDGD	
O=C(NNc1ccncc1)[C@H]1CCCN(CC(F)(F)F)C1	180511074	TYEHHGMEJAYVMY-JTQLQIEISA-N	302.300	1.799	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)c1cccc(F)n1	125161136	NMDQDBSFZIMOJZ-UHFFFAOYSA-N	313.292	1.252	50	20	DDGD	
Cn1nccc1NC(=O)NNC(=O)Cn1ccc2ccccc21	125720687	XCRLURFSHLOJGH-UHFFFAOYSA-N	312.333	1.228	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccnc(O[C@@H]3CCOC3)c2)cc1	183415548	PWSQENMSCHRWTD-OAHLLOKOSA-N	324.340	1.878	50	20	DDGD	
CC(C)(C)n1cc(NC(=O)C(=O)NNc2cccc(F)c2)cn1	120913298	CGKREVPWSPVTDF-UHFFFAOYSA-N	319.340	1.859	50	20	DDGD	
COC(=O)c1c(C)[nH]c(C(=O)NNc2cc(C)nc(C)n2)c1C	129095393	MKCPOMWVGLAFPU-UHFFFAOYSA-N	317.349	1.582	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)CC[C@@H]1CCCO1	73687170	WYMCVHLQJJLXBB-AWEZNQCLSA-N	320.389	1.734	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1Cl)NNC(=O)[C@@H]1CCCO1	32262797	XPBPAIOWAUUFML-NSHDSACASA-N	317.172	1.862	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)/C=C/c1scnc1C	186479212	KRCKEIHMMMNXGV-BQYQJAHWSA-N	317.370	1.935	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@H](C)CS(C)(=O)=O	185391619	KMWCFHPJBDFQLW-SECBINFHSA-N	303.359	1.193	50	20	DDGD	
COc1nccnc1NNC(=O)Cn1cc(C)c2ccccc21	131926208	UBBKXZHHIDYMPN-UHFFFAOYSA-N	311.345	1.892	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)Nc2nccs2)c1	42755641	DMBQHCONAUFWRU-UHFFFAOYSA-N	320.374	1.992	50	20	DDGD	
CC(C)n1nccc1NC(=O)C(=O)NNc1ccccc1F	137248827	RNWOSMPPUNOKCF-UHFFFAOYSA-N	305.313	1.685	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CCSCC2)cc(C#N)n1C	131519857	BNHGZCKFVDMCOA-QPEQYQDCSA-N	300.387	1.688	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C[C@H]2CCCO2)cc1OC	46762434	IADFEBUJONCASX-GFCCVEGCSA-N	322.361	1.424	50	20	DDGD	
COc1ccccc1C(=O)NCC(=O)NNc1ccccc1C	192627455	JIHMODSHKIGHNC-UHFFFAOYSA-N	313.357	1.877	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNc1nc(C)cc(C)n1	87047859	FQRKDDSEFGMXJX-UHFFFAOYSA-N	303.366	1.892	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc2cccc(OC)c2o1	131739666	CDRXJLOYWIYVRU-UHFFFAOYSA-N	314.301	1.997	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@@H]1CC1(Cl)Cl	132639265	AMCMSBOVSRFTFC-JTQLQIEISA-N	301.173	1.960	50	20	DDGD	
CC(=O)CC(C)(C)CC(=O)NNC(=O)Cc1ccc(F)cc1	191666566	KLMYRYFFIHIJLL-UHFFFAOYSA-N	308.353	1.911	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C2CCC(O)CC2)cc1	194017457	YGYLDCUPYHVBIE-UHFFFAOYSA-N	306.362	1.072	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Cc2ccc(C#N)cc2)c1	194834062	UYAXZESAVHSJDN-UHFFFAOYSA-N	323.352	1.636	50	20	DDGD	
O=S(=O)(CBr)N1C[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1	382817528	VAYWNQLMIWLVRH-UKKRHICBSA-N	306.225	1.813	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C[C@H]2CCCOC2)c1	194998419	JWSQTYBTLISCFN-CQSZACIVSA-N	320.389	1.646	50	20	DDGD	
O=C(/C=C\C1CCCCC1)NNC(=O)CNC(=O)c1ccco1	255575137	IOMWBILRYHYVLV-HJWRWDBZSA-N	319.361	1.293	50	20	DDGD	
COc1ccc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)cc1	254704818	HONOZRUIDOLCSR-UHFFFAOYSA-N	322.328	1.435	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1	269490749	OJFUBKJNGQCMJC-UHFFFAOYSA-N	317.223	1.785	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cc(C(C)(C)C)on2)n1	266000014	DMRUFLGSTKLPIZ-UHFFFAOYSA-N	319.365	1.247	50	20	DDGD	
COc1cccc(-c2cc(C(=O)NNC(=O)C3CCC3)[nH]n2)c1	268844333	WSYDUIPYHVASRW-UHFFFAOYSA-N	314.345	1.646	50	20	DDGD	
C[C@@H]1CCC[C@H]1NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	264310794	LUENOXKWWDZPTM-GYSYKLTISA-N	319.361	1.345	50	20	DDGD	
CSSCCNC(=O)N1CCCN(CC(F)F)CC1	367473146	BNLIBXKVFBZZQW-UHFFFAOYSA-N	313.439	1.980	50	20	DDGD	
CSCCCNC(=O)NNC(=O)COc1ccc(F)cc1	265564947	NCVPCLBVKSGMSP-UHFFFAOYSA-N	315.370	1.288	50	20	DDGD	
CCCN(CCC)CCCC(=O)NNC(=O)Cc1cccnc1	264342188	ABGHCPQGGIAVTR-UHFFFAOYSA-N	320.437	1.674	50	20	DDGD	
CCC1(CC)CCN(CC(=O)NNC(=O)c2ccccc2)C1	268026178	KWCBZEBUVDFAOL-UHFFFAOYSA-N	303.406	1.960	50	20	DDGD	
C[C@H]1C[C@H](CCNC(=O)NNc2nc3ccccn3n2)CCO1	276800202	KHAKWXIAIZZKMN-NWDGAFQWSA-N	318.381	1.561	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C2CCC2)c(-c2cccs2)n1	271055774	CRUYWWABAZCPCU-UHFFFAOYSA-N	304.375	1.710	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C(F)(F)F)c1	274196536	KXYLSOZDWBDYES-UHFFFAOYSA-N	319.239	1.340	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H](OC)C2CC2)cc1	279206418	BHDFHNKTQSJHGZ-HNNXBMFYSA-N	306.362	1.200	50	20	DDGD	
COC(OC)c1ccc(C(=O)NNC(=O)c2ccccc2C)o1	274521501	SHQAOCVCCTZNDI-UHFFFAOYSA-N	318.329	1.954	50	20	DDGD	
COCCn1nc(C)c(NC(=O)NNc2ncccc2C)c1C	276843496	SKMRJZIITHYURE-UHFFFAOYSA-N	318.381	1.998	50	20	DDGD	
C[C@@H](CCC(C)(C)C)C(=O)NNC(=O)CNC(=O)c1ccco1	273444879	WXALCISPGXBRQC-NSHDSACASA-N	323.393	1.619	50	20	DDGD	
O=C(NNc1c(F)cccc1F)[C@@H]1CCCCS1(=O)=O	275093207	VDWVCKLCKLGSTR-JTQLQIEISA-N	304.318	1.375	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CC2CC2)n(-c2ccccn2)n1	273334718	OPTAVUZYTCPDLS-UHFFFAOYSA-N	314.349	1.529	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@@H]2CCCOCC2)c1	271887614	JGFAJHSGMHHOGD-CYBMUJFWSA-N	321.377	1.273	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)CC(C)(C)OC)cn1	278667692	CGORZQZYDWBPNP-UHFFFAOYSA-N	312.395	1.223	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@H](C(=O)NNc2ccc(OC)cn2)C1	275697929	YKTXLAXSBMBFIF-WDEREUQCSA-N	307.350	1.513	50	20	DDGD	
O=C(NNc1cccc(F)n1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2	376335728	VXDHRTIAALVNLG-OASPWFOLSA-N	306.341	1.804	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H]2CCOC[C@@H]2C)c1	287907300	PYEZBGZZTQHISF-AAEUAGOBSA-N	321.377	1.772	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2cnc3ccccc3n2)CCC1	281436095	CEGDURPQYZPYGG-UHFFFAOYSA-N	320.374	1.040	50	20	DDGD	
CC1(C)CC[C@@H]1NC(=O)NNC(=O)c1ccc2c(c1)OCCO2	287287781	JXGJWWCZAZOQDD-ZDUSSCGKSA-N	319.361	1.590	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2cccc(C)n2)n(C)c1C	800817609	QASFISWQCRHLPP-UHFFFAOYSA-N	314.345	1.587	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1nc2c(s1)CCCC2	297493481	PQQIERYABMXVRW-SNVBAGLBSA-N	324.406	1.744	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2cccc(Cl)n2)CN1C1CC1	293090592	RZWOMAHNNOIUHQ-ZJUUUORDSA-N	309.801	1.986	50	20	DDGD	
O=C(CCc1ncc[nH]1)NNC(=O)c1ccc2ccccc2c1	806510124	JZXRTFQLAYFNAB-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1ccc(N2CCNC2=O)cc1	804767835	WEKALJWVLUEYBJ-UHFFFAOYSA-N	315.308	1.507	50	20	DDGD	
CC(C)c1cnc(NC(=O)C(=O)NNc2cccc(F)n2)s1	807393165	YZVFSCGCKQJPMT-UHFFFAOYSA-N	323.353	1.882	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1nc2c(s1)CCCC2	291791555	OWKCCQRAYUNQRZ-VIFPVBQESA-N	310.379	1.354	50	20	DDGD	
COCCOCCC(=O)NNc1cc(C(F)(F)F)ccn1	295230391	BMCKWYKGKUYDEO-UHFFFAOYSA-N	307.272	1.597	50	20	DDGD	
C=C(CBr)CN1C[C@@H](C)S(=O)(=O)[C@H](CC)C1	805773221	OTNCNKXENBFESJ-GHMZBOCLSA-N	310.257	1.835	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)[C@@H]1CCCO1)c1ccccc1F	294641144	MBJYGAHKOQLKNR-WFASDCNBSA-N	310.325	1.014	50	20	DDGD	
CCc1noc(NC(=O)NNC(=O)[C@H](CC)c2ccccc2)n1	296775306	NUDKOARVSJJCKU-LLVKDONJSA-N	317.349	1.979	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H](c2ccccc2)OC1=O)c1ccc[nH]1	809549043	RIHFLEGGKYVVTJ-DGCLKSJQSA-N	313.313	1.080	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1c[nH]cc(C)c1=O	805372585	ABYGVHCCESOLDW-UHFFFAOYSA-N	302.290	1.657	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CC2CC2)cc1	298333805	HWQDPNLLTBGRRU-LLVKDONJSA-N	306.362	1.800	50	20	DDGD	
CC1(C)Cc2cc(NC(=O)NNC(=O)[C@@H]3CCCO3)ccc2O1	292576522	CBIZNHWEXJUVKX-ZDUSSCGKSA-N	319.361	1.732	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2cc(N(C)C)ncn2)n1	290755623	RCCKNBRDNFTKCZ-UHFFFAOYSA-N	302.342	1.098	50	20	DDGD	
O=C(CCOc1ccccc1)NNc1ccc(-n2ccnc2)nn1	804953507	SIJJFZKOQKOWEW-UHFFFAOYSA-N	324.344	1.575	50	20	DDGD	
O=C(CNC(=O)c1cccc(Cl)c1)NNc1cccc(F)n1	804768769	UOVLFSNMNTXIHJ-UHFFFAOYSA-N	322.727	1.747	50	20	DDGD	
Cc1c(C(=O)NNc2ncncc2F)oc2c1C(=O)CCC2	294023482	NKMHYDAFGQLPAU-UHFFFAOYSA-N	304.281	1.793	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NN(C)CCOC)cc1	294414531	OBYYFQWYUXXYEQ-SDNWHVSQSA-N	303.362	1.602	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)CSC2CC2)c1	294299959	IKVRDSMDSCZQHZ-UHFFFAOYSA-N	308.403	1.725	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NNc2ccncn2)C1	295617930	ZIRYTKYUUAWTAA-VXGBXAGGSA-N	305.382	1.204	50	20	DDGD	
CN1C(=O)CC[C@@H](NC(=O)[C@H](Br)C(C)(C)C)C1=O	819728939	VMRDBXYSUFGYFV-APPZFPTMSA-N	319.199	1.060	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(S(=O)(=O)CCl)C1	817146065	OCQSOGKALBYEMP-ZJUUUORDSA-N	311.831	1.812	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@H](CO)CN1CCCC1	819836551	CHUBBHMLVGFHRG-QWRGUYRKSA-N	321.259	1.369	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NNC(=O)CC2CC2)C1	819122887	KVSMHTWTEJDUIB-AAEUAGOBSA-N	309.410	1.219	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@](C)(OC)C2CC2)cc1OC	812446484	DVHFALYJWZQXDM-MRXNPFEDSA-N	322.361	1.280	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)Cn1ccc(C)cc1=O	816337834	JOWBWYPTFUTTLY-UHFFFAOYSA-N	305.309	1.448	50	20	DDGD	
CC(=O)N[C@@H](CC(=O)NN(C)C1CC1)c1ccc(F)cc1F	819648673	NSPWKZFZPPHDLA-AWEZNQCLSA-N	311.332	1.658	50	20	DDGD	
Cc1cccc(C=NNC(=O)[C@@H](C)CN2CCOCC2)c1O	814762723	IWFGNUMMSCNDRA-ZDUSSCGKSA-N	305.378	1.119	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CC(c2cc(F)cc(F)c2)C1	814777182	QAFAVYBJNCEFLG-UHFFFAOYSA-N	309.316	1.839	50	20	DDGD	
Cn1cc(Br)cc1C(=O)NNc1ncncc1F	817067177	GRGPHKHGKBKHOC-UHFFFAOYSA-N	314.118	1.474	50	20	DDGD	
CC(=NNC(=O)c1ccncc1)c1cccc(-n2cnnc2)c1	814681824	DAWMYMGUZLCSAD-UHFFFAOYSA-N	306.329	1.816	50	20	DDGD	
Cc1noc(CCCC(=O)NNc2nc3ccccc3n2C)n1	816577095	WOVKXTLSOBKINV-UHFFFAOYSA-N	314.349	1.731	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCCC[C@H]1C	819933700	APOIPDRNWJGMAW-NEPJUHHUSA-N	300.399	1.749	50	20	DDGD	
Cc1nc(C(=O)NNc2ncccn2)c(Br)s1	816849068	QGTMWTZVQAWHSU-UHFFFAOYSA-N	314.168	1.761	50	20	DDGD	
O=C(CCc1ncccn1)NNc1ncnc2ccsc12	812535089	RLUHYOIAHPRCDF-UHFFFAOYSA-N	300.347	1.557	50	20	DDGD	
CCOCC(C)=NNC(=O)c1cc(OC)c(OC)c(OC)c1	726417738	IBGWDMFVJZMWPD-UHFFFAOYSA-N	310.350	1.855	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NOCC(C)(C)O)cc1	819541700	GKEALIKSTKHFKK-UKTHLTGXSA-N	304.346	1.811	50	20	DDGD	
Cc1ccc(F)c(CCNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	826922769	FEVQEHJQXMRLOL-DGCLKSJQSA-N	323.368	1.432	50	20	DDGD	
CN(NC(=O)c1cccnc1I)C1CC1	822434614	XCTNEWMFEUKNBB-UHFFFAOYSA-N	317.130	1.425	50	20	DDGD	
CCN(CCO)NC(=O)CO[C@@H]1C[C@@H](C)CC[C@H]1C(C)C	823840909	ABFMNFZBTJIWBM-SOUVJXGZSA-N	300.443	1.809	50	20	DDGD	
C[C@H]1CC(=NNC(=O)CCNC(=O)OC(C)(C)C)C[C@@H](C)O1	496607650	WHGPULSWBTYAIR-PHIMTYICSA-N	313.398	1.961	50	20	DDGD	
CCc1ccc(NC(=O)NN(C)C2CC2)cc1S(N)(=O)=O	824186007	PFUIAUNDPFMRSE-UHFFFAOYSA-N	312.395	1.027	50	20	DDGD	
CC(=O)NNC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	490937553	DEQYNMPYFMNGHB-VIZOYTHASA-N	302.378	1.835	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(F)cc2ccoc12	823473937	HBFWKYSHPBKRMH-KCJUWKMLSA-N	306.293	1.758	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)cc1OC	822188697	JFQWDAJMFSBLBL-GMXVVIOVSA-N	318.373	1.901	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)COc1ccc(C(F)(F)F)cc1	823971667	YAQVZYUHSPUYJT-SECBINFHSA-N	306.284	1.428	50	20	DDGD	
C[C@@]1(C(=O)Nc2cc(CO)cc(CO)c2)C[C@@H]1Br	828814439	RCPXSZRWWDZQGK-WCQYABFASA-N	314.179	1.783	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CCC(C#N)CC2)cc(C#N)n1C	490609566	AEZVIECUBIVDPD-VIZOYTHASA-N	307.357	1.874	50	20	DDGD	
CN(CCCN1CCCC1)C(=O)/C(C#N)=C/c1cnn(C)c1	491129870	HVBXDIWEQFLLOG-XNTDXEJSSA-N	301.394	1.271	50	20	DDGD	
CC(CCO)=NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1	493099498	RPXRGJVPGUSPRV-UHFFFAOYSA-N	313.398	1.508	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(C)[C@H]2CCNC2=O)cc1	490782401	IXCGEDJAZZOYBO-VOMSXAGXSA-N	313.357	1.339	50	20	DDGD	
C[C@H]1SCCC1=NNC(=O)CCNC(=O)OC(C)(C)C	495586361	BEFAUMKIPJKNEC-SECBINFHSA-N	301.412	1.899	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=O)CSc2ccccc2O)CC1	827542457	GTKBVFRQWPUYSV-UHFFFAOYSA-N	322.386	1.391	50	20	DDGD	
O=C(NN=C1CCCC[C@H]1N1CCCCCC1)c1ncon1	901289234	CXBBJWRSOLPOBF-CYBMUJFWSA-N	305.382	1.974	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCc3ccc(O)cc32)o1	822678631	QEMJZYINJTYXGV-ZDUSSCGKSA-N	315.329	1.925	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1ccc2nnc(S)n2c1	825669983	FWTHFVQHQFBXGC-UHFFFAOYSA-N	319.390	1.359	50	20	DDGD	
CC(C)CCO[C@@H](C)c1nc(-c2ccc(B(O)O)cc2)no1	585050774	KJJFZZLYSPANTE-NSHDSACASA-N	304.155	1.540	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCCC(=O)C2CC2)cc1	822202765	OHKGXZGZUOZUAM-UHFFFAOYSA-N	318.373	1.671	50	20	DDGD	
CO[C@H]1CCC[C@@H](C(=O)NNC(=O)CNc2ccc(C)cc2)C1	824037359	KVJQUIGNWMLHMG-HIFRSBDPSA-N	319.405	1.760	50	20	DDGD	
CC(C)(CNC(=O)c1ccc(B(O)O)c(F)c1)c1cccs1	584947228	JGVUSEIPNCMRJJ-UHFFFAOYSA-N	321.182	1.275	50	20	DDGD	
O=C(O)CCCN1CCC(=NNC(=O)c2ccccc2)CC1	739672778	XVXVVKDYZSTHSQ-UHFFFAOYSA-N	303.362	1.733	50	20	DDGD	
CO[C@H](CNCc1ccc(B(O)O)cc1)c1ccc(Cl)cc1	585026995	MKAMLCLIQPLXSO-MRXNPFEDSA-N	319.597	1.497	50	20	DDGD	
Cn1c(CNC(=O)[C@@]2(C)C[C@@H]2Br)nnc1C1CC1	820102859	GANQNDLAZZYIFO-UFBFGSQYSA-N	313.199	1.482	50	20	DDGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)O)nn2)cc1	490726081	NQHWTFHOAVAUHN-WDZFZDKYSA-N	311.301	1.217	50	20	DDGD	
CC(C)[C@]1(C)C[C@@H]1NC(=O)NNc1nc(O)c2cnn(C)c2n1	838763826	LQJXNRMYUUFHLM-XPTSAGLGSA-N	319.369	1.130	50	20	DDGD	
CC(C)(C)[C@H](CC(F)(F)F)NCc1cccc(B(O)O)c1	585035852	ZWTSCBUVZYFIEH-LBPRGKRZSA-N	303.133	1.823	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cnc(NC2CC2)s1	900572237	DNZZLFABYQWOLN-UHFFFAOYSA-N	317.374	1.116	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNc1ncnc2ccsc12	836605283	NNJJAQAIKWSPKX-SCZZXKLOSA-N	305.363	1.661	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@H]2CCOC(C)(C)C2)n1	838732978	AFCPKNBRPOBFJB-SNVBAGLBSA-N	309.370	1.317	50	20	DDGD	
CCCN1C[C@H](C(=O)NNc2cnnc3ccccc23)CC1=O	839683939	KJDGTPFSLAHOFZ-LLVKDONJSA-N	313.361	1.331	50	20	DDGD	
Cc1ccc(CCCCC(=O)NNC(=O)c2ncon2)cc1	832826002	OMMQPJXYMPDCFC-UHFFFAOYSA-N	302.334	1.552	50	20	DDGD	
CC(C)c1ccc(NNC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)cc1	838517134	UJJRRYNYXGMLNB-KBPBESRZSA-N	320.393	1.469	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCSc3ccccc32)c(F)c1	585016227	JJQLGLCGSBWMFD-HNNXBMFYSA-N	317.194	1.832	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2cnn(C(C)C)c2)cc1	732711211	DSIFBDVHVLUBNB-UHFFFAOYSA-N	313.361	1.861	50	20	DDGD	
Cc1cccnc1C(C)(C)CNCc1ccc(B(O)O)cc1F	585040197	BSZKCBDAHYKTJS-UHFFFAOYSA-N	316.185	1.276	50	20	DDGD	
O=C1C[C@H]2C[C@@H]1[C@H](C(=O)NNc1nccnc1C1CCC1)C2	837651460	DUFIQZJDHCNALA-MVWJERBFSA-N	300.362	1.802	50	20	DDGD	
CNC(=O)c1c(NC(=O)[C@@]2(C)C[C@@H]2Br)n[nH]c1C	913175845	WROSVIKERGSJPR-KGFZYKRKSA-N	315.171	1.190	50	20	DDGD	
O=C(NN=Cc1ccc(CO)o1)c1nnc(-c2ccccc2)o1	739411355	JDVRFDXQRUHHKI-UHFFFAOYSA-N	312.285	1.586	50	20	DDGD	
CC(C)(NC(=O)O)C(=O)NNC(=O)c1cccc2ncccc12	736336511	GJHIVCYXZMDYHU-UHFFFAOYSA-N	316.317	1.042	50	20	DDGD	
CC[C@@H]1CN(C(=O)c2c(C)nn(CCCl)c2C)CC[C@@H]1N	834646930	KLRPTMHSSWEFMF-OLZOCXBDSA-N	312.845	1.938	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)C1(C(N)=O)CC1	748748864	UPQSVBAZXFXODG-UHFFFAOYSA-N	312.167	1.466	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCOc2c(C)cccc21	748254069	VKAGKJUAMQQUFD-GFCCVEGCSA-N	306.362	1.649	50	20	DDGD	
Cc1ccc2c(c1)[C@H](NC(=O)NNC(=O)c1ncccn1)CC2	845495805	ROZDCNVONVPDHQ-CYBMUJFWSA-N	311.345	1.417	50	20	DDGD	
COCC1(CC(=O)NNC(=O)CNc2cccc(OC)c2)CC1	844128561	OOSGAGGRNVNSGH-UHFFFAOYSA-N	321.377	1.071	50	20	DDGD	
COc1ccc(C(=O)NN=C[C@@H](OC)[C@H]2CCOC2)c(OC)c1	841623888	OUIOYAFHHLEAKW-XHDPSFHLSA-N	322.361	1.471	50	20	DDGD	
CC1CC(C#N)(C(=O)NNc2ncc(Br)cn2)C1	848321012	FSIXDEBMSBABAR-UHFFFAOYSA-N	310.155	1.622	50	20	DDGD	
CO[C@H](C=NNC(=O)COc1cc(C)cc(C)c1)[C@H]1CCOC1	841606775	LGBPPZOHAKOCES-GOEBONIOSA-N	320.389	1.836	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnc2ccccc2c1C	748864562	ASEODOONOZDDTM-UHFFFAOYSA-N	300.387	1.838	50	20	DDGD	
CO[C@@H](C=NNC(=O)Cn1cnc2ccccc21)[C@@H]1CCOC1	841608698	HAAQIJVPGRZVSQ-DOMZBBRYSA-N	316.361	1.190	50	20	DDGD	
CSc1ccc(C=NNC(=O)Cc2cc(O)nc(O)n2)cc1	743448056	WKFNHNYRDKFJKD-UHFFFAOYSA-N	318.358	1.303	50	20	DDGD	
Cc1ccc2nc(CNC(=O)NNC(=O)c3ccc[nH]3)cn2c1	918129524	LEIJHWJDVHMMOQ-UHFFFAOYSA-N	312.333	1.115	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNc2nc3ccccc3n2C)C1	848379072	BYWWNMKIXJIULB-LLVKDONJSA-N	315.377	1.275	50	20	DDGD	
CO[C@@]1(C)CC(=NNC(=O)C(=O)Nc2ccccn2)C1(C)C	746577581	HCQOOABOQBNDIF-HNNXBMFYSA-N	304.350	1.327	50	20	DDGD	
CCCOc1cccc(CC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	843663911	ZKYYXSHUXJSCAP-DOMZBBRYSA-N	320.389	1.590	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@@H]1CCC[C@H](C(N)=O)C1	846641873	STPLRVKXJUFBRK-VHSXEESVSA-N	309.341	1.569	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)c2n[nH]c3c2CCC3)cc1	846370192	DVLAAZDMLQPBCX-UHFFFAOYSA-N	314.345	1.371	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CN3CCC2CC3)cc1C	915049426	RUFGGNXJMMWICB-UHFFFAOYSA-N	314.389	1.440	50	20	DDGD	
CCC(C)(C)N1CCN(C(=O)NNC(=O)c2ccccc2)CC1	848642737	JMPKMARHLTZFEI-UHFFFAOYSA-N	318.421	1.847	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccc(C#N)cc2)c(C)[nH]1	914748855	JYJHKYZOSYAKIY-UHFFFAOYSA-N	312.329	1.343	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)COC[C@@H]2CCCO2)n1	747983264	LJVGJNUPUHPZPA-VIFPVBQESA-N	300.746	1.077	50	20	DDGD	
CC(=NNC(=O)Cc1cn2ccccc2n1)c1cncc(F)c1	747638644	OSIFIAZSNKOUJD-UHFFFAOYSA-N	311.320	1.951	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cc(F)cc([N+](=O)[O-])c2)n1	740102525	LCUOHPZHSUWDFE-UHFFFAOYSA-N	320.284	1.347	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H](CC(C)C)C(N)=O	840445102	LIDRPTKTCLVEFP-LLVKDONJSA-N	306.366	1.295	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNC(=O)Nc1ccccc1C	840446805	YERFHUZITVPYCN-LLVKDONJSA-N	307.350	1.737	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(Br)ccc1C	742053666	PDVFBVMQJRORIW-UHFFFAOYSA-N	300.156	1.721	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(Cl)c(C#N)c1	843663668	XVUNOZGHAVBWPN-LDYMZIIASA-N	307.737	1.398	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)c2ccc3c(c2)OCO3)[nH]1	747625510	LGYGWKCKCHBJBG-UHFFFAOYSA-N	315.285	1.294	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@]1(C)CCc2ccccc2C1	843652582	KCCKMJZVJRZSLH-PNPHSEOMSA-N	316.401	1.754	50	20	DDGD	
Cc1n[nH]c(C)c1C=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1	915955152	WMGFRKYUNPQZOO-SDDRHHMPSA-N	321.425	1.222	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCCOCc1ccccc1	843646604	JOSXUZJSKXNNRI-DZGCQCFKSA-N	320.389	1.556	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@H](CC(C)C)OC	841074252	WBCGYQABNFGMPE-AWEZNQCLSA-N	308.378	1.446	50	20	DDGD	
C/C(=C/c1ccco1)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	848838157	WKCCUXFFPXTOSK-UCQJPZFISA-N	322.361	1.808	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@@H]1CCCN2CCCC[C@@H]12	847441791	CSDJPDAZBLTUDY-KGLIPLIRSA-N	308.426	1.524	50	20	DDGD	
Cc1nn(C(C)C)c(C)c1CC(=O)NNC(=O)[C@H]1CCO[C@H]1C	843661828	QIYONIPTULFZOU-STQMWFEESA-N	322.409	1.196	50	20	DDGD	
C[C@]1(C(=O)NCC[C@@]2(O)CCCOC2)C[C@H]1Br	911914346	KFTWSBRZTCSQOM-USWWRNFRSA-N	306.200	1.208	50	20	DDGD	
O=C(Cc1cc(-c2ccccc2)on1)NNC(=O)c1ccc[nH]1	746103489	OYABPLGIXFSOJX-UHFFFAOYSA-N	310.313	1.673	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NC1CCNCC1)c1ccccc1	841914680	IGLCOEWQUSFTBK-UHFFFAOYSA-N	304.394	1.047	50	20	DDGD	
C[C@@H]1CS(=O)(=O)CCN1C[C@H](CBr)C1CC1	701838430	PRHOIPVTKRIHAU-KOLCDFICSA-N	310.257	1.526	50	20	DDGD	
C=C(C)COCCNC(=O)NNc1ccc(CC(=O)OC)cc1	845057630	JJIJWVJGWGGKDV-UHFFFAOYSA-N	321.377	1.621	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1ccc(N(C)CCC#N)cc1	842552833	CDPJTAGKPIXHMF-BBRMVZONSA-N	314.389	1.912	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1c[nH]c2ccccc12	843639659	JEYVIJFDZXJOSB-AAEUAGOBSA-N	315.373	1.673	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cnc(F)c(Br)c1	847394386	MVTHQZMLQYIEPB-UHFFFAOYSA-N	319.134	1.337	50	20	DDGD	
Cc1cn2c(=O)cc(COC(=O)/C(C#N)=C\C3CC3)nc2s1	922674509	KYODRQVONIBCAB-WCIBSUBMSA-N	315.354	1.968	50	20	DDGD	
COCCN(C)NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1	840452571	KAYDBQNRMFWPMN-UHFFFAOYSA-N	311.338	1.605	50	20	DDGD	
CCOC(=O)c1cc(/C=C(/C#N)C(=O)[C@@H]2CCCOC2)[nH]n1	843269160	PVSGFNFKXWHAJV-CHPNCVJKSA-N	303.318	1.489	50	20	DDGD	
CCCCS(=O)(=O)CC(=O)NNc1cccc(Cl)c1	929772806	SVLSZCOTAMHYRH-UHFFFAOYSA-N	304.799	1.998	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cn(-c3ccccc3)nn2)n1	755563840	GTFUFXZYSZSLMX-UHFFFAOYSA-N	323.360	1.231	50	20	DDGD	
O=C(CSCc1cccnc1)NNC(=O)OCC(F)(F)F	856024557	ZXEBOFMDQVSJLR-UHFFFAOYSA-N	323.296	1.635	50	20	DDGD	
CCCC[C@H](C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)C(C)C	857573191	WIEXMCRUHLCILE-KBPBESRZSA-N	318.483	1.941	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)CSc1ccc(C)cc1	755050435	YOQCZUOMOWAWQB-LBPRGKRZSA-N	310.419	1.907	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)CS(=O)(=O)C1CC1	928337937	XZFWPUKFNWDUES-UHFFFAOYSA-N	302.783	1.669	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(NC(=O)CC)cc1	929730420	FHZCGXJUYPNDID-UHFFFAOYSA-N	316.361	1.991	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(C)nn1Cc1ccccc1	755636738	XJFHOTWUIXAQPK-UHFFFAOYSA-N	317.349	1.039	50	20	DDGD	
CCO[C@@H]1COCC[C@H]1NC(=O)NNc1cc(F)ccc1F	921957784	UWECDGIBOLUIKZ-DGCLKSJQSA-N	315.320	1.785	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)Cc2ccc(Cl)cc2)nn1C	757753879	OLSIBJTXFHWITC-UHFFFAOYSA-N	321.768	1.777	50	20	DDGD	
C[C@]1(CNC(=O)NCC2CCNCC2)C[C@H]1Br	857104169	MRNZLDUWONJZBH-ZYHUDNBSSA-N	304.232	1.459	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cc2ccccc2o1)c1cnn(C)c1	750072294	UIUAFRUHNVKUCK-SNVBAGLBSA-N	312.329	1.731	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2nc3ccc(Cl)cc3s2)CC1	856234215	PZPCCFARYGTZIF-UHFFFAOYSA-N	324.793	1.919	50	20	DDGD	
C[C@@]1(CNC(=O)c2cnc3[nH]nnc3c2)C[C@H]1Br	857732521	ASIIFBPZOKZZCI-KCJUWKMLSA-N	310.155	1.256	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@H]2CC[C@H](O)CC2)c1	752998674	PCVPRRALNBELII-JOCQHMNTSA-N	321.377	1.008	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1nnc(C(F)F)s1	756220225	QZDUMTYTXIMIBI-UHFFFAOYSA-N	314.277	1.337	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2ncnc3ccsc23)co1	759955510	MOAIIBQZXQCTFT-UHFFFAOYSA-N	303.303	1.140	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2c[nH]nc2C)n(C(C)(C)C)n1	756059130	GBKGHXXPZLZJBU-UHFFFAOYSA-N	319.369	1.445	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)[C@@H]2CCc3nnc(C)n3C2)c1	750789522	UUMZRUNWUCVEMK-LLVKDONJSA-N	303.341	1.740	50	20	DDGD	
CCCn1nccc1C=NNC(=O)COc1ccc(OC)cc1	853264903	WHJZITCWXXSURM-UHFFFAOYSA-N	316.361	1.831	50	20	DDGD	
C#C[C@H](NC(=O)NC[C@]1(C)C[C@H]1Br)[C@@H]1CCCO1	856849124	MLUZKGYOOFHVTC-KQXIARHKSA-N	315.211	1.640	50	20	DDGD	
CCn1cc(CNC(=O)NC[C@@]2(C)C[C@H]2Br)cn1	856856761	LRNYYRKWWSPLHL-ZYHUDNBSSA-N	315.215	1.876	50	20	DDGD	
C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)NNC(=O)c1cccc(F)n1	852109154	WPJJSZLPILAFQO-VWYCJHECSA-N	308.357	1.989	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C2(C#N)CC(C)C2)cc1	758151907	KTSWZZIXYGMHBV-UHFFFAOYSA-N	301.346	1.461	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccn2cc(C(F)(F)F)nc2c1	854163539	YNLZMQLLEBSLTJ-UHFFFAOYSA-N	316.239	1.744	50	20	DDGD	
COC1CC(C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)C1	858124695	ZFJHTXJIOGOMOD-UHFFFAOYSA-N	314.345	1.263	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cnn(-c2ccc(Cl)cc2)n1	751956438	OZIYQVOCVACRII-UHFFFAOYSA-N	319.752	1.482	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)C(=O)NNC(=S)N[C@@H](C)C1CC1	855101026	NORQTBMFBHPHNS-YUMQZZPRSA-N	309.439	1.424	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cc(C(C)(C)C)nn1C)C1CC1	855103766	ZFPPASQOTCYDQI-VIFPVBQESA-N	323.466	1.625	50	20	DDGD	
CCO[C@H]1COCC[C@@H]1NC(=O)NNc1cc(Cl)ccn1	759305670	HNHBSLQRRIAGEV-QWRGUYRKSA-N	314.773	1.555	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccc(C(N)=O)s2)C[C@@H]1Br	857400941	JTWYKWFMSOPZPY-KWQFWETISA-N	317.208	1.750	50	20	DDGD	
CC(C)[C@](C)(O)CNC(=O)NC[C@]1(C)C[C@H]1Br	856956643	SJARWZBUIWAAOR-ADEWGFFLSA-N	307.232	1.866	50	20	DDGD	
O=C(NNC(=O)c1ccc(CN2CCCCC2)o1)NC1CC1	930720645	RTCCNDMLWGJDGI-UHFFFAOYSA-N	306.366	1.372	50	20	DDGD	
CCOC(=O)N1CSC[C@H]1C(=O)NNc1ncccc1C	935615213	CFTCPXLXIOWXTF-JTQLQIEISA-N	310.379	1.365	50	20	DDGD	
O=C(CCCOC1CCOCC1)NNC(=O)Nc1ccccc1	868116410	PCRFZUHPQNPEMY-UHFFFAOYSA-N	321.377	1.815	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2CCCN(CC(F)F)C2)cc1	866868465	KDRZHXWUSGQRBQ-GFCCVEGCSA-N	308.332	1.978	50	20	DDGD	
O=C(NNc1cccnn1)[C@@H]1CCN(C(=O)c2ccccc2)C1	860752322	OVCVHLFAVKBZAY-CYBMUJFWSA-N	311.345	1.082	50	20	DDGD	
COc1cccc(C(C)(C)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	869067509	BMWQNQLGYAZSKV-BXUZGUMPSA-N	320.389	1.545	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)CCc1cc(C)on1	935844314	BROHLJNLTINNKD-UHFFFAOYSA-N	321.308	1.985	50	20	DDGD	
O=C(Cc1ccco1)NNC(=O)c1cnn(-c2ccccc2)c1	765459352	GATBIFTUGDACKN-UHFFFAOYSA-N	310.313	1.469	50	20	DDGD	
CC(=O)NNC(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@H]21	864427738	VEQPWEKXKFNCHQ-IJLUTSLNSA-N	309.163	1.502	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNc2nnc(C)c(O)n2)cc1	760123821	RQLIXZZFGCCGCI-VIFPVBQESA-N	317.349	1.216	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccc(CS(C)(=O)=O)c1	769986748	SECVOMYFGJJTOD-UHFFFAOYSA-N	315.351	1.014	50	20	DDGD	
COC[C@@](C)(NC(=O)NNc1cccc(C)n1)C(F)(F)F	932319565	HAFXZADOXKVKAO-LLVKDONJSA-N	306.288	1.984	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)Nc2cccc(C(F)F)c2)N1	860566574	GUOGYZWXIOVFRX-VIFPVBQESA-N	312.276	1.056	50	20	DDGD	
C[C@H](NNC(=O)c1nnc(O)c2ccccc12)C(F)(F)F	862303230	NAYKUAQQTXGBHA-LURJTMIESA-N	300.240	1.521	50	20	DDGD	
CCSCC(=NNC(=O)CS(C)(=O)=O)c1ccccc1	863186015	KSXKEOYBUNQNPC-UHFFFAOYSA-N	314.432	1.305	50	20	DDGD	
C[C@H](Oc1ccc(C#N)cc1)C(=O)NN[C@H](C)C(F)(F)F	862305248	LBSSTAYOWQKRLF-DTWKUNHWSA-N	301.268	1.897	50	20	DDGD	
CC(C)(C)c1cnc(NC(=O)c2cccc(B(O)O)c2)s1	863874498	XKDFFDRTZYOBBH-UHFFFAOYSA-N	304.180	1.373	50	20	DDGD	
Cc1ccnc(NNC(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)c1	761100715	LNUGJYDKOKAJSS-UHFFFAOYSA-N	324.344	1.031	50	20	DDGD	
COc1ccc(CCC(C)=NNC(=O)c2cn[nH]c2)cc1O	863153978	KCFDQBQGHOILJO-UHFFFAOYSA-N	302.334	1.862	50	20	DDGD	
COc1ccc(CNC(=O)c2c[nH]nc2NC(=O)CCl)cc1	1116438294	MISASPARVQAMDJ-UHFFFAOYSA-N	322.752	1.526	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H]1CCCCN(C)C1=O	873814769	OOTGPCABMCRVDW-CYBMUJFWSA-N	303.362	1.015	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)CCl)CC2)c1	1116437712	NUFVUEJOWKVRJQ-ZDUSSCGKSA-N	324.808	1.672	50	20	DDGD	
CC[C@@H](C)n1nc(NC(=O)NNC(=O)C2CCOCC2)cc1C	879114173	UAGDCSCIAFCHLX-SNVBAGLBSA-N	323.397	1.742	50	20	DDGD	
CCn1nc(C(C)C)cc1C(=O)NNC(=O)NCC(F)(F)F	1116896331	LXKJDJNMEBPZIB-UHFFFAOYSA-N	321.303	1.533	50	20	DDGD	
CCCNC(=O)c1cccc(NC(=O)NN(C)C(=O)OC)c1	878226119	ACTSKGHSSWVHQZ-UHFFFAOYSA-N	308.338	1.561	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CCC[C@H]2C(=O)O)C[C@@H]1Br	872883641	QYPLHAXJSLSQGY-KZFFXBSXSA-N	304.184	1.777	50	20	DDGD	
Cn1c(=NNC(=O)c2ccc3nc[nH]c3n2)sc2ccccc21	770469249	QHQHGFNICGKTJG-UHFFFAOYSA-N	324.369	1.757	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2CCC(=O)NC2)c(C)c1	873757982	FGNFAKRAQJTPCF-NSHDSACASA-N	320.418	1.147	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2CCCNC2=O)c(C)c1	873760680	VIRFSBTWISUQBI-LLVKDONJSA-N	320.418	1.147	50	20	DDGD	
CC(CCCC(F)(F)F)=NNC(=O)[C@@H]1CCS(=O)(=O)C1	774359590	AGAFZZIRLZKZPI-SECBINFHSA-N	314.329	1.646	50	20	DDGD	
CO[C@H](C(=O)NNc1ccc(C(C)(C)C)nn1)c1cnn(C)c1	1116915913	OOZRPRLGZGCXLO-ZDUSSCGKSA-N	318.381	1.338	50	20	DDGD	
CC(C)[C@@H]1CCC[C@H](NC(=O)NNC(=O)C2CCNCC2)C1	1118026147	ARMRMLPBZIMGOC-KGLIPLIRSA-N	310.442	1.531	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2ccoc2)cc1OC	771861246	VNQSAFIWUSJBEL-UHFFFAOYSA-N	304.302	1.301	50	20	DDGD	
Cc1cc(F)cc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)c1	772165252	KAWUHJJVXUMFJG-LLVKDONJSA-N	324.352	1.873	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)nc2ccccc12	1117807206	LMYPJSILMHPOQT-HNNXBMFYSA-N	313.357	1.873	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc([S@](C)=O)c2)o1	770246573	SGNKICZGZULXAG-NRFANRHFSA-N	306.343	1.400	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc2c(cc1F)NC(=O)CC2	887145390	BWKPMEDULZLEJG-UHFFFAOYSA-N	317.320	1.275	50	20	DDGD	
COc1ncccc1NC(=O)C(=O)NNc1cccc(C#N)c1	773685535	MUQFRBWUANHKGF-UHFFFAOYSA-N	311.301	1.044	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCCCS1	772295389	FOZURUNTHGTJFX-GHMZBOCLSA-N	316.423	1.397	50	20	DDGD	
O=C(NNC(=O)c1ccn(Cc2ccccc2)n1)c1cccnc1	771846608	QTPRBUQZNCHPEF-UHFFFAOYSA-N	321.340	1.401	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNc1c(F)cc(F)cc1F	885155350	RLBDLSRNNXAMBX-HTQZYQBOSA-N	302.252	1.746	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2ncc(C)s2)cc1	783038004	YAQAULWWPARRKA-UHFFFAOYSA-N	306.347	1.542	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CC[C@H]2CCCCO2)cc1O	882048689	SGIUJVWXJXYMSC-CYBMUJFWSA-N	306.362	1.811	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1cccn(Cc2ccccc2)c1=O	780757267	MMVBJDCWHNUVCP-UHFFFAOYSA-N	320.352	1.470	50	20	DDGD	
Cn1cc(C(=O)NN=C2CC[C@@H](C(=O)O)c3ccccc32)cn1	789020050	CVKHLWRIFYBPME-CYBMUJFWSA-N	312.329	1.516	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cn1nc(C(F)(F)F)cc1C	887149075	IDULJUYNWJKDLJ-UHFFFAOYSA-N	316.283	1.161	50	20	DDGD	
CCn1cccc(CNC(=O)NNC(=O)CC(C)(C)C)c1=O	789293927	MFEAKGRBKXEXOK-UHFFFAOYSA-N	308.382	1.135	50	20	DDGD	
CSSCCNC(=O)N1CCO[C@@H](c2ccnn2C)C1	894685384	YTSQMEVDHTYCOX-LLVKDONJSA-N	316.452	1.514	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCC[C@@H](C(F)(F)F)C1	783508824	FFPWFHINYQJBJC-SECBINFHSA-N	305.300	1.834	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ncc(F)cn2)c(F)c1	784950702	YFBVYJAHOUXYGQ-UHFFFAOYSA-N	307.260	1.145	50	20	DDGD	
CCN(CC)Cc1cc(C(C)=NNC(=O)C(C)(C)O)ccc1O	785462431	FWGHPDWRMXFNGY-UHFFFAOYSA-N	321.421	1.845	50	20	DDGD	
O=S(=O)(CBr)NC[C@@H]1OCCc2ccccc21	782445213	RZHJOJROPISNOM-NSHDSACASA-N	320.208	1.572	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cccnc1-n1cccn1	781805305	OROFHYKTMIWCOB-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
N#CC1=CCN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)CC1	780686632	DIONNBPDQBKSHF-NXEZZACHSA-N	301.268	1.126	50	20	DDGD	
C[C@@H]1[C@@H](Cl)[C@H]1CN1CCC(C(N)=O)(N2CCCCC2)CC1	896003596	ZMGKLVZPPDDDJB-MELADBBJSA-N	313.873	1.666	50	20	DDGD	
COc1cc(NNC(=O)CCN2CCOC2=O)ccc1Cl	790181233	ZUXXXYHUFUPQQC-UHFFFAOYSA-N	313.741	1.634	50	20	DDGD	
Cc1cccc2ncc(C=NNC(=O)c3ccc(O)c(O)c3)n12	794558699	IGCDTYKDMNAUCM-UHFFFAOYSA-N	310.313	1.818	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc(Cl)nc2C)n1	794084369	RUOMXKQXYGTOKK-UHFFFAOYSA-N	304.737	1.822	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2coc(C)n2)c2ccccc2n1	799009303	SUXHKJJLCGYYGX-UHFFFAOYSA-N	310.313	1.914	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccsc1)c1c[nH]c2ccccc12	795281146	QTYXRXFOJHBODO-UHFFFAOYSA-N	321.383	1.853	50	20	DDGD	
Cc1cc2n[nH]cc2cc1NC(=O)C(=O)NN(C)c1ccccc1	792279315	ZVLVLZKCIBDAGI-UHFFFAOYSA-N	323.356	1.977	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(OC)cc1OCC=C	798305866	JRNFQBXEPQMYAK-UHFFFAOYSA-N	321.402	1.555	50	20	DDGD	
CCC(=NNC(=O)C(N)=O)c1ccc(OC(F)(F)F)cc1	794858780	WBNHIPZOKQTENT-UHFFFAOYSA-N	303.240	1.301	50	20	DDGD	
O=C(CN1CCC[C@@H]1[C@@H]1CCCO1)NNC(=O)c1cccs1	792923317	FEEOCCREWUULQM-NEPJUHHUSA-N	323.418	1.153	50	20	DDGD	
Cc1ccccc1-n1nccc1C=NNC(=O)c1cnccn1	794489647	YVLBJLKSIUVMLI-UHFFFAOYSA-N	306.329	1.735	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ncoc1-c1ccc(F)cc1	798307261	MQFMEQCWFJWDKP-UHFFFAOYSA-N	320.349	1.776	50	20	DDGD	
O=S(=O)(CBr)N[C@H]1CCOc2ccc(F)cc21	272811685	NGPANSQMRGDCQU-VIFPVBQESA-N	324.171	1.921	50	20	DDGD	
C=C[C@H](COC)NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	1325616719	XDQWZDLWRVUCML-DLUQRMLASA-N	321.421	1.734	50	20	DDGD	
COc1cc(O)ccc1C=NNC(=O)Cc1cn2ccccc2n1	1322285710	GXQMRNCVTPMQTP-UHFFFAOYSA-N	324.340	1.741	50	20	DDGD	
CC(C)(Oc1ccccc1)C(=O)NNC(=O)NCC(F)(F)F	1322555453	OCTKQDKMPZRMAY-UHFFFAOYSA-N	319.283	1.737	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=Cc1cc(Cl)cc2c1OCC2	1321540676	UCIUDLKFHKPWQY-UHFFFAOYSA-O	316.768	1.713	50	20	DDGD	
COC(=O)C(=O)NN=C1CCCCc2ccc([N+](=O)[O-])cc21	1325348764	KAWWAMTWKLENRW-UHFFFAOYSA-N	305.290	1.315	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)C12CCCN1CCC2	1332455915	NXEKFYWQQBXTHK-UHFFFAOYSA-N	321.352	1.684	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC1(C)CN(C(=O)OC(C)(C)C)C1	1337584271	DOFRTFGQILEYRG-FLIBITNWSA-N	309.366	1.556	50	20	DDGD	
C[C@@H](COc1ccccc1)NS(=O)(=O)CBr	782421101	IOHMPAOZZIXLEB-VIFPVBQESA-N	308.197	1.726	50	20	DDGD	
Cc1cccc(C)c1CN(C)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	1340401773	UQNAUNINXYWMCA-UONOGXRCSA-N	319.405	1.901	50	20	DDGD	
CC[C@@H](C)n1nccc1C(=O)NNC(=O)OCC(F)(F)F	1263862533	MFYDZDUHMKOOGI-SSDOTTSWSA-N	308.260	1.787	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=S)N[C@@H](C)C2CC2)c1C	1262631929	SNNJGQOZBLEKNX-VIFPVBQESA-N	309.439	1.509	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc(C(C)(C)C)nn1	1345792314	RQWVXCTVDIBQAT-VHSXEESVSA-N	321.381	1.352	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc(C)nc(C)c1	1347070424	XNIMBNUMCSRAKG-UHFFFAOYSA-N	309.366	1.249	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC12CN(C(=O)OC(C)(C)C)C2	1353265342	MKFRYPJEFWRKQS-FMIVXFBMSA-N	321.377	1.652	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C(F)F)cc1	1515850392	GXMNTVSBYNHAIP-QMMMGPOBSA-N	313.304	1.756	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccccc1O[C@H](C)C(=O)O	1606900742	USUPIGRNROBGTM-NASPGAHYSA-N	319.313	1.635	50	20	DDGD	
O=C(O)[C@@]1(C(=O)NNc2ccnc(F)c2)C[C@@H]1c1ccccc1	1601703373	ZFSVFZYFVYROJA-WBMJQRKESA-N	315.304	1.922	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1ccc(C2CC2)cc1	1606858238	MSSPKXNOPJKVDE-UHFFFAOYSA-N	321.344	1.896	50	20	DDGD	
O=C(C[C@@H]1CSCCS1)NNc1ccc(C(=O)O)cn1	1601257501	WRJXTCVJMOLHRB-SECBINFHSA-N	313.404	1.462	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCc1ccc(C(=O)O)cc1	1600593641	WZFKTGMTXSKOSO-UHFFFAOYSA-N	314.345	1.957	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2cc(C(=O)O)n(C)c2)c1	1600545156	OWFOSUPARUUNOU-UHFFFAOYSA-N	315.329	1.561	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C(=O)NN=CC1(C)COC1	1549315684	MOJWOMBGDROGPI-NWDGAFQWSA-N	306.366	1.026	50	20	DDGD	
CC(C)[C@H](N)C(C)(C)C(=O)NNc1nc(-c2ccncc2)no1	1575446676	GOPSOHLLHAOMKB-NSHDSACASA-N	318.381	1.584	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@H]2C[C@]23CCNC3)c1	1578420335	HFURCPNNTUBARE-CJNGLKHVSA-N	317.393	1.223	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc(O)cc1F	1582562145	JUZDGCLJTPNAOC-UHFFFAOYSA-N	314.280	1.468	50	20	DDGD	
N[C@H](C(=O)NNc1cccnn1)c1ccc(Br)cc1	1580115018	JEHDVBNUTWVKAG-NSHDSACASA-N	322.166	1.382	50	20	DDGD	
CC(C)(C)OCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](F)Cl	1848028136	OCLSDLFYSSNSPW-NHCYSSNCSA-N	320.792	1.538	50	20	DDGD	
C[C@@H](Cn1cccn1)NC(=O)NNc1ccc(C(=O)O)c(F)c1	1592926097	OAXXKEHIWACMPO-VIFPVBQESA-N	321.312	1.435	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1	1842808595	NHKUKSGGKRMWQG-NSHDSACASA-N	309.797	1.511	50	20	DDGD	
CN(C)Cc1ccc(C(=O)NNc2ncccc2C(=O)O)cc1	1593702341	NEVIQWGZHZQFLE-UHFFFAOYSA-N	314.345	1.598	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H]2C[C@H]3C[C@@]3(C(=O)O)C2)cc1	1597126123	WAEPFFKHNIAKDC-KANYHAFZSA-N	319.361	1.965	50	20	DDGD	
CCC(=O)N1CC2(CCCN2C(=O)[C@@H](C)Br)C1	1846176187	SPKJUSYMJAAVOA-SECBINFHSA-N	303.200	1.383	50	20	DDGD	
C[C@@H]1O[C@H](C)CC1=NNC(=O)c1cccc(-c2nn[nH]n2)c1	1590180166	DVDZISLSKWDCHG-BDAKNGLRSA-N	300.322	1.150	50	20	DDGD	
O=C(NNC(=O)[C@H](C(=O)O)C1CCCC1)c1cccc(Cl)c1	1594779320	PZOUZQYKGADGKZ-GFCCVEGCSA-N	324.764	1.992	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(CCc1ccccc1)CC(=O)O	1596859825	GSAJXAPXUTVOHX-OWBHPGMISA-N	302.330	1.586	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](C(=O)O)c1cc(F)ccc1F	1596864987	YTBZPRRKZFUNOR-ABZNLYFFSA-N	310.256	1.651	50	20	DDGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1cc(C(=O)O)nn1C	1776119638	HFQQHUWDAULSED-TZHJSBJOSA-N	316.361	1.720	50	20	DDGD	
O=C(NN=C1CC[C@H](C(=O)O)c2ccccc21)c1ncon1	1776105876	IBJKWLHTDYWXGK-JTQLQIEISA-N	300.274	1.166	50	20	DDGD	
CC(=NNC(=O)c1cn[nH]c1)c1cccc(OCC(=O)O)c1	1776093751	IRYZMUYMSKBYOL-UHFFFAOYSA-N	302.290	1.027	50	20	DDGD	
CCCNC(=S)NNC(=O)c1cc(-c2ccc(C)cc2)n[nH]1	14405193	BZXNOVALCZWYKU-UHFFFAOYSA-N	317.418	1.904	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2ccc(F)cc2)cc1	15528935	XEADUWRBEFIDQQ-UHFFFAOYSA-N	302.305	1.838	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1c(C)nc2ccccn12	17581947	XQSHERMCDZMYIK-UHFFFAOYSA-N	322.368	1.955	50	20	DDGD	
CC[C@H](CC(=O)NNC(=O)CN(C)C)c1ccc(OC)cc1	162111711	SFUXQVAVJGNIJV-GFCCVEGCSA-N	307.394	1.288	50	20	DDGD	
COC(=O)/C(C#N)=C\c1ccccc1OCC(=O)N1CCCC1	206898580	FUAYVYXNBDYSFK-UVTDQMKNSA-N	314.341	1.768	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2csc([C@@H]3CCCO3)n2)o1	155621545	ZAXVSSWONNZGEN-NSHDSACASA-N	321.358	1.971	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H](C)N2CCSCC2)c1	154178609	AYGVLLIXADKHAZ-JTQLQIEISA-N	313.398	1.715	50	20	DDGD	
CC[C@@H]1CN(S(=O)(=O)c2ccc(CCCl)cc2)C[C@@H]1O	399902911	NUVZCRCDMOZKIB-OCCSQVGLSA-N	317.838	1.859	50	20	DDGD	
CN(C)CCNC(=S)NNC(=O)c1ccc(C(C)(C)C)cc1	7641335	KNNNXXYGEIHPIY-UHFFFAOYSA-N	322.478	1.655	50	20	DDGD	
CCC(=O)N[C@@H](CCSC)C(=O)NNC(=O)c1ccccc1	54125888	MHTKFQWOHOGLHX-LBPRGKRZSA-N	323.418	1.096	50	20	DDGD	
CCOC(=O)NNC(=O)CCCNC(=O)c1ccc(F)cc1	55140630	ACMJAUOJZSMGNB-UHFFFAOYSA-N	311.313	1.113	50	20	DDGD	
O=C(Cc1c[nH]c2ccc(F)cc12)NNC(=O)c1cccnc1	115315554	QICNVKOXMHAFDR-UHFFFAOYSA-N	312.304	1.706	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COc2ccc(C#N)cc2)n1	25246585	GLHYYMLNBVDUAF-UHFFFAOYSA-N	310.313	1.102	50	20	DDGD	
CC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)Cc1cccnc1	103513107	VEWWQAOVTGOPED-UONOGXRCSA-N	304.394	1.923	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc3ccccc3[nH]c2=O)o1	175844349	KBLLQTYAILLVEG-UHFFFAOYSA-N	311.297	1.504	50	20	DDGD	
C[S@@](=O)Cc1cccc(C(=O)NNC(=O)CC(C)(C)C)c1	103198720	UIOGHFZUWRCGDD-NRFANRHFSA-N	310.419	1.762	50	20	DDGD	
O=C(NNc1cnccn1)C1CCN(CC(F)(F)F)CC1	114880893	HGFAGRJZMNEWEF-UHFFFAOYSA-N	303.288	1.194	50	20	DDGD	
O=C(CSc1nc2ccccc2[nH]1)NNC(=O)c1ccc[nH]1	119983344	OAFOKHVYKVVMLU-UHFFFAOYSA-N	315.358	1.444	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1	56375319	IWNPWKWGMXPGOF-UHFFFAOYSA-N	308.338	1.607	50	20	DDGD	
COc1ccc(SCCC(=O)NNC(=O)NC2CC2)cc1	64429233	KKKFHVVYHDJTFW-UHFFFAOYSA-N	309.391	1.670	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)CC2CCCC2)cn1	170699138	VMBSEEUVRUWJLP-UHFFFAOYSA-N	308.407	1.988	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1sc(CC(C)C)nc1C	110759674	MRCPHHCWCQSPOA-UHFFFAOYSA-N	321.406	1.756	50	20	DDGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCCC(N)=O)c1C	175430076	YCVBJRKFLLRIKZ-XNTDXEJSSA-N	316.405	1.804	50	20	DDGD	
O=C(CCc1cccs1)NNC(=O)c1ccc2c(c1)OCO2	23146863	LNHHXDPKIMKSRE-UHFFFAOYSA-N	318.354	1.871	50	20	DDGD	
COCCN(CC(C)C)[C@H](C)C(=O)NNC(=O)CC(C)C	111200212	MIWWLTNEWQUKGT-CYBMUJFWSA-N	301.431	1.173	50	20	DDGD	
Cc1cccc2c1CCN(C(=O)NNC(=O)Cc1cccnc1)C2	171595642	UFUOMHARBDTVEJ-UHFFFAOYSA-N	324.384	1.732	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CC[C@H]2CC[C@@H](C)O2)cc1	175141102	YDVMBLRGUURASF-UKRRQHHQSA-N	319.405	1.902	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)c2cnc(C)cn2)c1	67196692	SCDIXYAPVHCJCC-UHFFFAOYSA-N	311.370	1.398	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(Cc2ccncc2)CC1	178949790	UNLIIBCNMRDMEV-FYWRMAATSA-N	300.362	1.170	50	20	DDGD	
CN(C)[C@@H]1CCC[C@H](NC(=O)NNc2cncc(Cl)n2)C1	176584115	VNLGJLGXTIEPTM-VHSXEESVSA-N	312.805	1.629	50	20	DDGD	
O=C(C[C@@H]1CCCO1)NNC(=O)c1cccc(OC(F)F)c1	171207661	RZIBSCZNLGMMIR-JTQLQIEISA-N	314.288	1.618	50	20	DDGD	
CCNC(=O)NNC(=O)CSCC(=O)Nc1ccc(C)cc1	65191016	MPMBEHJABITRMN-UHFFFAOYSA-N	324.406	1.017	50	20	DDGD	
CCC(=O)c1cccc(NC(=O)NNC(=O)c2cc(C)n[nH]2)c1	183289885	GNXSTNFFDAWURW-UHFFFAOYSA-N	315.333	1.777	50	20	DDGD	
C#CCOc1ccc(F)cc1NC(=O)NNC(=O)c1ccc[nH]1	186105681	ABJXTQXZWDGANL-UHFFFAOYSA-N	316.292	1.632	50	20	DDGD	
COC(=O)[C@H](NS(=O)(=O)CBr)c1ccccc1	127418875	LJNIWLUHYKUICP-SECBINFHSA-N	322.180	1.173	50	20	DDGD	
COc1ccc(COCCC(=O)NNc2ncc(F)cn2)cc1	122479234	CYBOAFXTPURNED-UHFFFAOYSA-N	320.324	1.674	50	20	DDGD	
C[C@H](SCc1ccccc1)C(=O)NNC(=O)[C@@H]1CCCO1	72009449	RIYYRYZSHYFZSW-AAEUAGOBSA-N	308.403	1.635	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2cccc3c2CCCC3)nc1	120170338	PDSUGDXURUBWQF-UHFFFAOYSA-N	310.357	1.816	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCc1nnc2n1CCCC2	185184575	NAXVDJBZNCZNIJ-UHFFFAOYSA-N	318.356	1.888	50	20	DDGD	
C[C@H]1CCC[C@@H](OCCCCCC(=O)NNC(=O)CO)C1	182763389	PRHKJQTXFUVVPN-QWHCGFSZSA-N	300.399	1.282	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)Nc2c(F)cccc2F)n1	185574228	JFJMDNGDHUNUJO-UHFFFAOYSA-N	321.287	1.453	50	20	DDGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)C(N)=O)c1C	182536826	VXMTZGGMGANLNB-DGGAMASNSA-N	316.405	1.802	50	20	DDGD	
CN(NC(=O)CCOc1cccc(Br)c1)C(N)=O	181089963	FRTGVUDMLQKTDJ-UHFFFAOYSA-N	316.155	1.260	50	20	DDGD	
CCN1C[C@H](C(=O)NNc2ncc(Cl)cc2Cl)CC1=O	132942812	IRQLZCCBNFLNSD-SSDOTTSWSA-N	317.176	1.700	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1cncc(F)c1	130983153	UYGBBFYTFRIKNB-UHFFFAOYSA-N	303.293	1.199	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)OC(C)(C)C)c1nnc2ccccn12	45252366	XINVHGRUMSWNNB-SECBINFHSA-N	320.353	1.529	50	20	DDGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCCO)c1C	229858887	VTQUKQUAXBDQIJ-AZZDOICSSA-N	305.378	1.328	50	20	DDGD	
C[C@@H]1CSCCN(CC(=O)NNC(=O)c2ccccc2)C1	190452922	MGZRALNABJXLQF-LBPRGKRZSA-N	307.419	1.133	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNC(=O)Nc1cc(F)cc(F)c1	194466496	VFTAXWFIFVXQKW-BQYQJAHWSA-N	310.260	1.561	50	20	DDGD	
CC(=O)NNC(=O)c1cccc(C)c1I	194492653	KKSMECOSTCQYAV-UHFFFAOYSA-N	318.114	1.381	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C(=O)Nc1cc(F)cc(F)c1	190304880	GQXUNGCRRPHWOB-UHFFFAOYSA-N	310.235	1.581	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ncccc2C(F)(F)F)[nH]n1	92570828	NPJRCUZMPSMTML-UHFFFAOYSA-N	313.239	1.207	50	20	DDGD	
COc1ccnc(NNC(=O)c2cnc(C)nc2C(C)C)n1	265320741	RZLUFNGEUQWACQ-UHFFFAOYSA-N	302.338	1.464	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H](C)CC(C)(C)OC)n1	266955520	LBUZZGKIVLLZAX-JTQLQIEISA-N	311.386	1.623	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CC[C@@H]2CC[C@H](C)O2)c1O	266635434	XNBYLKBJJCOMCM-QWRGUYRKSA-N	322.361	1.510	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1csc(C(C)(C)C)n1	263865963	YLKHIBLYMCTEBZ-UHFFFAOYSA-N	314.411	1.421	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)Cn1cnc2ccccc21	269508059	TVISOUXDAMNSOP-GFCCVEGCSA-N	306.391	1.325	50	20	DDGD	
COC(=O)C[C@@H](C)NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	265126438	JOUYRPQEUMVCQA-KUKWCLJQSA-N	314.345	1.180	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)Cc1ccco1	268859615	VHSJCQLDLPNLQE-UHFFFAOYSA-N	302.330	1.611	50	20	DDGD	
COc1ccc(NNC(=O)CCS(=O)(=O)CC(C)C)cc1	267004159	LZVANNRXFICKGX-UHFFFAOYSA-N	314.407	1.599	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCCC(C)(C)O)c1ccccc1	274922448	LSAKZHRJRWEKJI-CYBMUJFWSA-N	307.394	1.672	50	20	DDGD	
O=C(NNc1nccnc1Cl)[C@@H]1CCCN1c1ccccc1	369616418	RWHPEMWCQLGIMW-LBPRGKRZSA-N	317.780	2.242	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cc([C@H]2CCNC2)n[nH]1	279111070	YKIKKYPYBKYMHK-VIFPVBQESA-N	316.321	1.152	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)[C@@H]1CCCCO1	270571871	NXWNRHRLBCBJGD-LBPRGKRZSA-N	324.402	1.504	50	20	DDGD	
COC1(CC(=O)NNC(=O)COc2cc(C)cc(C)c2)CCC1	276705503	PTSNMAXGFLQFCB-UHFFFAOYSA-N	320.389	1.789	50	20	DDGD	
COCCN1CCC(NC(=O)NNc2ncccc2C)CC1	276737239	WZOPEPMUBOFSKZ-UHFFFAOYSA-N	307.398	1.127	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCO1	271377068	QYTSVDOZAOCBDY-MWLCHTKSSA-N	322.321	1.106	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1C(=O)NNc1ccc(S(C)(=O)=O)cc1	279784461	HDIKYOYRBHDUQT-ZIAGYGMSSA-N	324.402	1.514	50	20	DDGD	
CCC(C)(C)CNC(=O)NNC(=O)c1ccc2c(c1)OCCO2	277551340	VKZZUPYJBCPXCC-UHFFFAOYSA-N	321.377	1.838	50	20	DDGD	
Cn1nc([C@H]2CCCO2)cc1NC(=O)NNC(=O)CC(C)(C)C	279005303	NYJDDWRKUMOQED-LLVKDONJSA-N	323.397	1.861	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)N[C@@H]1CCC[C@@H]1CCO	275321209	DOPIJCFCKLJNQC-NXEZZACHSA-N	321.406	1.869	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNc1ccc(-n2ccnc2)nn1	278634754	NJYZEPWIKGFEEZ-LLVKDONJSA-N	304.354	1.168	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)CCC[C@]1(C)NC(=O)NC1=O	274564197	CXVPUXNWODOUOL-HNNXBMFYSA-N	322.340	1.346	50	20	DDGD	
CO[C@H]1CCC[C@@H](CC(=O)NNc2nc3ccccn3n2)C1	281891228	PIEBGLDPIAREHK-NEPJUHHUSA-N	303.366	1.768	50	20	DDGD	
Cc1c(Cl)cccc1C(=O)NNC(=O)N1CCN(C)CC1	287706775	FBASBZPEZPKGND-UHFFFAOYSA-N	310.785	1.250	50	20	DDGD	
COCCN1CN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CC1=O	282351416	CMRZIALDVHQDRB-JYRVWZFOSA-N	317.320	1.007	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)c1ccc2ccccc2n1	282743103	RWFRXMFNCVZTGJ-FIXISWKDSA-N	313.357	1.809	50	20	DDGD	
CO[C@H](C)C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	283685569	ICZKTORWIFQOGJ-SSDOTTSWSA-N	303.265	1.476	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NNc1nccc(OC)n1	281167348	CWMJLWUWJGETEF-JQWIXIFHSA-N	307.354	1.093	50	20	DDGD	
Cc1c(C(F)(F)F)nn(C)c1NC(=O)NNC(=O)CC(C)C	287346781	ZEKIGOXSYJOBDN-UHFFFAOYSA-N	321.303	1.946	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1noc2c1CCCC2	281309324	RZDJCWUTNOLQCC-UHFFFAOYSA-N	306.244	1.060	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCN2CCC[C@@H](C)C2)n1	280145483	FJVHBDRLTYMERQ-GFCCVEGCSA-N	319.409	1.066	50	20	DDGD	
O=C(NCCCc1ccccc1F)NNC(=O)[C@@H]1CCCO1	292593247	KBPQDXQJHXDWKU-ZDUSSCGKSA-N	309.341	1.268	50	20	DDGD	
COC(=O)C(=O)CCCOC(=O)/C(C#N)=C\c1ccc(O)cc1	803380826	FMOMTPNQXYOPEN-XFXZXTDPSA-N	317.297	1.365	50	20	DDGD	
O=C(CNC(=O)c1cccc(Cl)c1)NNC(=O)CC1CC1	294342797	ZPUSSZNILBSGLE-UHFFFAOYSA-N	309.753	1.017	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H](C)c2c(F)cncc2F)n1	807554221	DLIKPLNEYFJQCT-SSDOTTSWSA-N	324.291	1.546	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)N=c1cc[nH]cc1)c1ccccc1F	802025742	FRCGATLMPWOKGU-LLVKDONJSA-N	316.336	1.989	50	20	DDGD	
CC[C@@](O)(C(=O)NNc1cccnn1)c1cccc(Cl)c1	800534692	RILHLSLWZZOLGM-AWEZNQCLSA-N	306.753	1.871	50	20	DDGD	
CN(NC(=O)c1ccc([N+](=O)[O-])cc1O)C(=O)OC(C)(C)C	297326485	RSRMTWVIPDWWJI-UHFFFAOYSA-N	311.294	1.812	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@H]1CCCc2sccc21	802033005	MSKOBUHAPNJBCO-LBPRGKRZSA-N	316.386	1.838	50	20	DDGD	
O=C(CC[C@H]1CCOC1)NNC(=O)Nc1ccc2c(c1)OCO2	802098802	AXHYDGUWRZUQAB-JTQLQIEISA-N	321.333	1.385	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H](NC(C)=O)C(C)C)cc1	802061774	YRZBWDHKMZRUEI-CYBMUJFWSA-N	322.365	1.009	50	20	DDGD	
CNc1nc(C)cc(C(=O)NNc2nccnc2C(C)C)n1	807426709	UYPBEXSZJHETAR-UHFFFAOYSA-N	301.354	1.497	50	20	DDGD	
COCCOCc1ccc(C(=O)NNC(=O)NC(C)C)cc1	292005004	XMXNWWMXNJCJAY-UHFFFAOYSA-N	309.366	1.202	50	20	DDGD	
COc1ccccc1NC(=O)C(=O)NNc1ncccc1F	807302480	WKHAWZMWLNHWAY-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NC[C@@H](CC)OC	291513864	QXBKCDGAPCEOEG-CYBMUJFWSA-N	323.393	1.383	50	20	DDGD	
Cc1ccc(/C=C/C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)o1	298081159	IZZSRDNVSRXRBS-NNNHXZLVSA-N	312.391	1.094	50	20	DDGD	
O=C(CSC(F)F)NNC(=O)c1ccc2c(c1)OCCO2	299268850	ZSEFFBMUNNVPQK-UHFFFAOYSA-N	318.301	1.175	50	20	DDGD	
COCCOCc1ccc(C=NNC(=O)c2cnccn2)cc1	807961774	DLNBVZJPRBXSNY-UHFFFAOYSA-N	314.345	1.404	50	20	DDGD	
O=C(CCCC[C@H]1CCSS1)NCCn1cnnn1	816285935	QEVRWMWNGDBFLI-JTQLQIEISA-N	301.441	1.503	50	20	DDGD	
CC(C)[C@@H](C(=O)NN(C)C1CC1)N1C(=O)c2ccccc2C1=O	819641340	RXXDIFJAAFFCHK-AWEZNQCLSA-N	315.373	1.433	50	20	DDGD	
CC(C)(C)OC(=O)N1[C@H](C(=O)NN=c2cc[nH]cc2)C[C@H]2C[C@H]21	816012045	GLNCKVBQBUZUNG-RTXFEEFZSA-N	318.377	1.345	50	20	DDGD	
CCCc1nc(C)c(CNC(=O)NNC(=O)C2CCCC2)o1	813862682	SLSBMWJRUKZRRT-UHFFFAOYSA-N	308.382	1.956	50	20	DDGD	
COCc1nc(C(=O)NNc2nc3ccccc3n2C)cs1	816579056	BJIYEEQLUMVESE-UHFFFAOYSA-N	317.374	1.933	50	20	DDGD	
CCN(CC(=O)NNC(=O)C(C)(C)C)[C@@H]1CCOC(C)(C)C1	810043064	FHOQCDPOKGPASO-GFCCVEGCSA-N	313.442	1.459	50	20	DDGD	
COc1cnc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)nc1	816602076	HYCGFIUDKXMDEF-UHFFFAOYSA-N	311.301	1.084	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNc2ncncc2F)cc1F	817082363	UMCWXAWVBNAPHF-UHFFFAOYSA-N	307.260	1.470	50	20	DDGD	
CN(NC(=O)[C@H]1CCCN1c1ncnc2sccc12)C1CC1	819647205	JSHTZTNIWGWNME-GFCCVEGCSA-N	317.418	1.786	50	20	DDGD	
O=C(CCn1cnccc1=O)NNc1ccc(OC(F)F)cc1	815855588	ZZQVHLUQZHHDCH-UHFFFAOYSA-N	324.287	1.378	50	20	DDGD	
C=CCOCC(=O)NNc1nc2ccccc2c(=O)n1CC	729310194	TXFXVPMIGFZFAG-UHFFFAOYSA-N	302.334	1.062	50	20	DDGD	
Cn1c(=O)oc2cc(C=NNC(=O)N=c3cc[nH]cc3)ccc21	815001425	JKFRHZLTQZSJRX-UHFFFAOYSA-N	311.301	1.104	50	20	DDGD	
CN(C)C(=O)NCCN(C)C(=O)/C(C#N)=C/c1ccc(F)cc1	490839604	DTEKWVDKRCIFKD-JLHYYAGUSA-N	318.352	1.462	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)/C=C\c1ccc(O)cc1	492636146	VGKOACMYWMWGJS-FLIBITNWSA-N	312.325	1.875	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NOCC2CCC2)c1	824022879	ZKSZNUJOHMDSQY-UHFFFAOYSA-N	307.350	1.436	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@H]1C(=O)NCC1(C)C	827611151	JSEDNVGOTGUBKR-YUMQZZPRSA-N	305.216	1.437	50	20	DDGD	
CC(C)[C@@H]1CN(C(=O)/C(C#N)=C/c2cnn(C)c2)CCCO1	491106949	UIFDSUGNDSOVIA-LULHVWEPSA-N	302.378	1.601	50	20	DDGD	
CC[C@H](CC(F)(F)F)C(=O)NNC(=O)Cn1nc(C)cc1C	822208960	OFHLLPCOQDKRJM-SNVBAGLBSA-N	320.315	1.626	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H](C)Oc1ccc(C(F)(F)F)cc1	823879674	RFJZMYIPXGHLEQ-SNVBAGLBSA-N	320.311	1.818	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1	824185407	YSDSFFCLOPHWHF-UHFFFAOYSA-N	323.744	1.329	50	20	DDGD	
CCO[C@@H]1C[C@@H](N[C@H](C)C(=O)NNC(=O)CC)C12CCCC2	829635335	WAKYPEULULREBE-JHJVBQTASA-N	311.426	1.260	50	20	DDGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C\c2cnccn2)cc1	491084699	OTUWHLJPQQXODO-LCYFTJDESA-N	321.340	1.724	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(-c2cncnc2)cc1F	823934358	FSSIRBVSISQBKF-SNVBAGLBSA-N	304.325	1.240	50	20	DDGD	
O=C(/C=C\c1ccc[nH]1)NNC(=O)c1nnc(O)c2ccccc12	491990801	NUUXNSXLLQRCTO-FPLPWBNLSA-N	323.312	1.138	50	20	DDGD	
C[C@@H]1C[C@@H]1C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1	726862265	HPMATQPAIVZLGE-RNCFNFMXSA-N	309.391	1.226	50	20	DDGD	
CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)C(C)(C)C	822537685	OFHMASVBXGOZEZ-NSHDSACASA-N	313.442	1.757	50	20	DDGD	
CCn1ncc(C)c1NC(=O)NNC(=O)Cc1ccccc1F	825156164	PWJYYRLZBHCAPE-UHFFFAOYSA-N	319.340	1.746	50	20	DDGD	
CCN(CC(=O)NN(CC)CCO)Cc1ccccc1Cl	823884875	NASOGPAKBRPNBV-UHFFFAOYSA-N	313.829	1.507	50	20	DDGD	
CC(=NNC(=O)C(C)(C)C)c1ccc(-c2nn[nH]n2)c(F)c1	823948437	MPZRIUIRNWCACJ-UHFFFAOYSA-N	304.329	1.892	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)NCC2CCC2)c(F)c1	727869201	HCHRNSXQNNSTKF-UHFFFAOYSA-N	311.382	1.743	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCCC[C@@H]2CCCCO2)cn1	491163719	XUKBGGCEPNFYJU-MZLJFPOFSA-N	302.378	1.793	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)CN2CCCC2)cc1C	823067286	IOJRANCGANYOGI-UHFFFAOYSA-N	305.378	1.711	50	20	DDGD	
O=C(CSC1CC1)NNC(=O)c1cccc2cccnc12	822880105	YOVFUOASULVBGK-UHFFFAOYSA-N	301.371	1.891	50	20	DDGD	
CS[C@H](CNC(=O)c1cc(B(O)O)ccc1F)C(C)(C)C	584974303	TYCASEUUZBRWLY-GFCCVEGCSA-N	313.203	1.013	50	20	DDGD	
O=C(CN1CCOC1=O)NNc1ccc(Cl)cc1Cl	821148540	SQMNJTMETKLXKQ-UHFFFAOYSA-N	304.133	1.889	50	20	DDGD	
COc1ccc(Cl)cc1C(F)(F)C(=O)NN(C)[C@@H](C)CO	823384546	OCGNBAWBMHDNPM-QMMMGPOBSA-N	322.739	1.784	50	20	DDGD	
Cc1ccc(C[C@H]2CCCN2CC(=O)NNC(=O)C(C)C)cc1	827821251	LFMFUWZNXUGUTI-MRXNPFEDSA-N	317.433	1.805	50	20	DDGD	
CC(C)c1ccc(-c2nc(C(=O)NCB(O)O)cs2)cc1	585061587	WEPVMNXGAZTSGY-UHFFFAOYSA-N	304.180	1.675	50	20	DDGD	
COc1cc(C)c([C@H](C)NCc2ccc(B(O)O)o2)cc1OC	585023550	MQFPLEGTJXNIFN-NSHDSACASA-N	319.166	1.136	50	20	DDGD	
CN(NC(=O)[C@H]1COc2ccccc2O1)C(=O)OC(C)(C)C	495933998	WEFURWXWUONSAK-GFCCVEGCSA-N	308.334	1.725	50	20	DDGD	
C#Cc1cccc(NC(=O)C(=O)NNc2cccc(C(=O)O)c2)c1	833368305	KPBMOHCDSCAZDH-UHFFFAOYSA-N	323.308	1.448	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCCOc1ccc(C(=O)O)cc1	737129336	JQWHMNRILOLXSS-ZRDIBKRKSA-N	304.302	1.324	50	20	DDGD	
CSc1cc(C)ccc1NC(=O)C(=O)NNC(=O)C1CC1	839513291	RDEWFXJMIXZNIF-UHFFFAOYSA-N	307.375	1.213	50	20	DDGD	
CNC(=O)C1CCN(C(=O)[C@]2(C)C[C@H]2Br)CC1	905575311	XEXXGBJIJJFSBR-BXKDBHETSA-N	303.200	1.145	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)N[C@H]1CCS(=O)(=O)C1	837314913	XWDACCGCJMFDTO-VIFPVBQESA-N	317.798	1.462	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc(C)o2)C12CCC2	838770467	XBXJOCGRXHSJOK-RYUDHWBXSA-N	307.350	1.490	50	20	DDGD	
Cc1cccc(F)c1CNC(=O)NNC(=O)[C@H]1CCCCO1	836324778	NAJBLPYHJCHYAH-CYBMUJFWSA-N	309.341	1.534	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCOC[C@H]1CC(=O)O	909613774	JKMJUWCBLUIEOU-PSASIEDQSA-N	322.199	1.498	50	20	DDGD	
Cc1cccc([C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C2)c1	584976254	QBKYJAVJZGYMFU-INIZCTEOSA-N	309.174	1.305	50	20	DDGD	
C#CCN1CCC(C(=O)NNc2cccc(C(=O)O)c2)CC1	833365203	ZUYMVIAVNOQSNG-UHFFFAOYSA-N	301.346	1.173	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNC(=O)[C@@H]2CCCCO2)cc1O	833778888	KUECDSQDDBAEAV-QPBFKRLHSA-N	320.345	1.131	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)NCC1CC1)C(=O)c1ccccc1	732757882	ZIAOPNUIFHXPBK-LLVKDONJSA-N	303.362	1.636	50	20	DDGD	
C[C@H](C[C@@H](O)c1cccs1)NCc1ccccc1B(O)O	585035586	VMVKZWBIGATCLI-BXUZGUMPSA-N	305.208	1.030	50	20	DDGD	
O=C(CNc1ccccc1Cl)NNC(=O)[C@H]1CCCCO1	833246708	PWQWGHXFAMBDRB-GFCCVEGCSA-N	311.769	1.468	50	20	DDGD	
CO[C@H]1CCN(C(=O)NNC(=O)c2cccc(C#N)c2)C[C@@H]1C	836277412	YEVFQDLLLHSOMH-FZMZJTMJSA-N	316.361	1.269	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)Cc2ccc3ccccc3c2)[nH]1	732272413	SGECJDHGFUKNKX-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2cc3c(nc2O)CCC3)nn1	733651361	MISKLQQGBZJCPL-UHFFFAOYSA-N	314.349	1.201	50	20	DDGD	
COCCN(C)NC(=O)c1cc(-c2ccccc2OC)on1	837621711	MGAXQZIASGIMCD-UHFFFAOYSA-N	305.334	1.573	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3ccccn3)n[nH]2)o1	916093314	ODVMMEOTQGHMGN-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cccc2c[nH]nc12	731494090	KKJPPBQBIYJBDZ-UHFFFAOYSA-N	310.313	1.646	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(N)c(OC(F)(F)F)c1	831854543	YQHDLMKKJGPNKD-UHFFFAOYSA-N	320.271	1.474	50	20	DDGD	
CCC[C@H](C)CC(=O)OCC(=O)NNC(=O)c1cccs1	748960574	ULMPKZDLHFFMLA-JTQLQIEISA-N	312.391	1.879	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)NCC(=O)O)CN1Cc1ccccc1	833586239	DNOWGZNFCWMVJP-LLVKDONJSA-N	304.350	1.021	50	20	DDGD	
COc1cccc(SCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	843647328	SQSAOCJVLWISLR-GWCFXTLKSA-N	324.402	1.360	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NC[C@@H]1CCC[C@H](C)C1	748627099	WZWLCACDMJVFMO-YNEHKIRRSA-N	315.414	1.195	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)[C@@]1(O)CCOC1	840404461	ROPMOIHLMRTXTJ-LLVKDONJSA-N	308.231	1.439	50	20	DDGD	
COCC1(CNC(=O)NNc2c(C)cccc2F)CCNCC1	841991620	ORNUFQGMLNNHGY-UHFFFAOYSA-N	324.400	1.776	50	20	DDGD	
Cc1nsc(NC2CC2)c1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843970371	FEHIXXCUKFQDLY-SCZZXKLOSA-N	324.406	1.212	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1sccc1OC(F)F	843650319	BBEBFPNKZWFYNV-RNFRBKRXSA-N	320.317	1.536	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](c2ccncc2)C1	846907161	FPCHXWYCRKOZMC-UKRRQHHQSA-N	318.421	1.453	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)Cc1ccccc1F)C(C)C	743636420	FLFUIMZUKQDXEM-ZDUSSCGKSA-N	311.357	1.370	50	20	DDGD	
CN(C)C(=O)CCCNC(=O)NNc1ccc(Cl)cc1F	914361754	GSIQJYZRPVQKDG-UHFFFAOYSA-N	316.764	1.974	50	20	DDGD	
CC(C)C(=O)NNC(=O)CC1(NC(=O)OC(C)(C)C)CCC1	746820588	BNILYYZSXHZUBA-UHFFFAOYSA-N	313.398	1.627	50	20	DDGD	
COC(=O)c1cc(NNC(=O)N[C@H](C)CCCN)ccc1F	842000318	VKKNVHBWGUSVSS-SECBINFHSA-N	312.345	1.366	50	20	DDGD	
N#Cc1ccc(CCNS(=O)(=O)CBr)cc1	849415639	CUBVNCXTVZZLID-UHFFFAOYSA-N	303.181	1.373	50	20	DDGD	
CO[C@@H](C=NNC(=O)COc1cccc(C)c1)[C@H]1CCOC1	841607851	ZTLBGFJPVIRIBL-ZFWWWQNUSA-N	306.362	1.527	50	20	DDGD	
Cc1nn(CC(=O)NNc2ccc(C(C)C)cc2)c(=O)n1C	848210612	VMQFPZQSGMYFKL-UHFFFAOYSA-N	303.366	1.157	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cc(C(C)C)nn1C	746523145	YDESUQCMMAPSHW-UHFFFAOYSA-N	316.361	1.627	50	20	DDGD	
CCOc1cccc(NC(=S)NNC(=O)[C@@H]2CCO[C@H]2C)c1	843278167	XUNBZOLXJYVAQQ-GXFFZTMASA-N	323.418	1.828	50	20	DDGD	
NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1c(Cl)cccc1Cl	847582814	RALXNHOVTWDFOD-RQJHMYQMSA-N	302.161	1.948	50	20	DDGD	
CCc1ccccc1-n1cc(C(=O)NNC(=O)NC(C)C)nn1	840295268	VCNDCYSIXOJJFX-UHFFFAOYSA-N	316.365	1.182	50	20	DDGD	
Cc1cc(NNC(=O)C[C@H]2SC(=N)NC2=O)ccc1Cl	928341171	QUDVFXLBNYRJBI-SECBINFHSA-N	312.782	1.648	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCc1ccc(N(C)C)cc1	920823216	WGFCBVWERSBNPH-UHFFFAOYSA-N	306.410	1.816	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NC[C@@H](O)c1cccnc1	752618360	SSOGYSWUOFSKHV-WPMUKRGUSA-N	311.316	1.977	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)cc1Cl	753315317	IGSBPHYVXLTHFR-SNVBAGLBSA-N	318.764	1.666	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1ccc(F)c(F)c1F	755371937	NZROIBJCUODUEL-UHFFFAOYSA-N	310.235	1.965	50	20	DDGD	
C[C@]1(C(=O)N[C@H](CO)C[C@@H]2CCCO2)C[C@@H]1Br	923738354	FGRDPCGZUMDURD-GMOBBJLQSA-N	306.200	1.206	50	20	DDGD	
CN(CC(=O)NNC(=O)OCC(F)(F)F)c1ccccc1	856024224	MWKZVOOVANQTPA-UHFFFAOYSA-N	305.256	1.443	50	20	DDGD	
Cc1nnc([C@@H](C)NC(=O)NNC(=O)c2ccccc2F)s1	759314891	RKBXSVWDMGZEKH-SSDOTTSWSA-N	323.353	1.691	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccc(C(F)(F)F)nn2)c(O)n1	755187929	XOVWIIIZQHVVEE-UHFFFAOYSA-N	313.239	1.661	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1cccc(F)c1F	756254931	YALGDYIKCNFHRZ-UHFFFAOYSA-N	306.272	1.755	50	20	DDGD	
O=C1C[C@@H](C(=O)OC[C@@H](CBr)C2CC2)CCN1	859594122	QHQVSVHZYSETLB-VHSXEESVSA-N	304.184	1.477	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)N[C@H]2C[C@H](OC)C2)cc1	858985329	ZMXAEQHLYIQDCF-MQMHXKEQSA-N	321.377	1.136	50	20	DDGD	
C[C@@H](NC(=O)NNc1c(F)cc(F)cc1F)c1ncnn1C	922157383	SUNSWHNCJPOLPZ-ZCFIWIBFSA-N	314.271	1.620	50	20	DDGD	
CSc1nc(C2CC2)nc(C)c1C(=O)NNc1cccnn1	753090600	QGQYISXCLJCQHM-UHFFFAOYSA-N	316.390	1.931	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cnccc1C(F)(F)F	854997343	GAVLAHIADZVQOJ-UHFFFAOYSA-N	315.173	1.814	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(F)c(C(=O)OC)c1	756057278	UHUKZJVSTUGZNM-MRVPVSSYSA-N	311.313	1.811	50	20	DDGD	
Cc1ncc2n1CC[C@H](C(=O)NNc1ccc(Cl)cn1)C2	856090840	AFQBTQIDFGSAPW-JTQLQIEISA-N	305.769	1.946	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21)c1ccc2c(c1)OCO2	929229831	HZXHTZSOIJFXNF-DVOKIVJVSA-N	314.341	1.468	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1ccc(O)c(O)c1O	920374551	FXRSAHQZWXTAPA-UHFFFAOYSA-N	316.313	1.505	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C[C@@H](n1cccn1)C(F)(F)F	854164124	SNPKMXLCJIDUCM-MRVPVSSYSA-N	322.287	1.933	50	20	DDGD	
COc1cccc(OC)c1CC(=O)NNC(=O)CC(F)(F)F	756986647	QFYFLKXORMUWEF-UHFFFAOYSA-N	320.267	1.346	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)o1	853375378	MVMFHPPNZPTCTD-UKRRQHHQSA-N	316.361	1.940	50	20	DDGD	
Cc1nccn1CCCC(=O)NNC(=S)N[C@@H](C)C1CC1	855102004	DQEXGZZCNVLUDX-JTQLQIEISA-N	309.439	1.266	50	20	DDGD	
C[C@@H]1CC[C@H](CC(=O)OCC(=O)NNC(=O)c2ccccc2)C1	759415870	JGPZMXCPIRCQCU-OLZOCXBDSA-N	318.373	1.817	50	20	DDGD	
COc1cccc(NCC(=O)NN=Cc2cnc3ncccn23)c1	755585223	QJKZNQUHVVWWQB-UHFFFAOYSA-N	324.344	1.300	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cnc3cccc(C)n23)n1	755565313	NKEXKTKUVAEBKE-UHFFFAOYSA-N	310.361	1.606	50	20	DDGD	
CC(C)c1cccc(C(=O)NNc2cc(Cl)nc(N)n2)n1	753449654	ILFTWJJZKCEFID-UHFFFAOYSA-N	306.757	1.988	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)N[C@@H]1CCC[C@H]2OCC[C@H]12	852204486	CXTAHSCWACRFLH-CKYFFXLPSA-N	322.340	1.122	50	20	DDGD	
CO[C@]1(CNC(=O)NC[C@@]2(C)C[C@H]2Br)CCOC1	856848079	AHTLIOFQKMHVRP-JLLWLGSASA-N	321.215	1.265	50	20	DDGD	
CCn1nccc1CNC(=O)NC[C@]1(C)C[C@@H]1Br	856868245	KTAGZMRZZHQZTE-JQWIXIFHSA-N	315.215	1.876	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1ccc2nc[nH]c2n1)c1ccccc1	755298703	MEDLQPZJOBZJPJ-UHFFFAOYSA-N	323.356	1.697	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCC(=O)OC(C)C)c1	858091444	ULGOESIJXIXTGC-UHFFFAOYSA-N	313.379	1.342	50	20	DDGD	
CC[C@@H](C)C=NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1	755507961	HPYDZXKGFHBPMY-LLVKDONJSA-N	311.407	1.699	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cc(CCOC)ccn1	931386559	VKXIOIKBZUHZBK-UHFFFAOYSA-N	304.350	1.227	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C)cc[nH]1	862513561	STSVYHGNKQIZLH-NSHDSACASA-N	322.409	1.758	50	20	DDGD	
Cc1ccc(S(=O)(=O)NCC(Cl)Cl)cc1C(N)=O	867471891	XCZNFLIDBSUFRH-UHFFFAOYSA-N	311.190	1.176	50	20	DDGD	
O=C1NCC[C@]1(C(=O)NN=c1cc[nH]cc1Cl)C1CCCC1	860854991	OLWXAJPSIXXTNU-HNNXBMFYSA-N	322.796	1.297	50	20	DDGD	
CCCC(=O)N1CCCC[C@@H]1C(=O)NN=c1cc[nH]c(C)c1	862511500	RLKMWKGLPNMRDY-CQSZACIVSA-N	304.394	1.436	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@@H]2C)n1	863896820	IPYDGGDDIWXJNK-MNXVOIDGSA-N	321.425	1.825	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NNC(=O)c1cc(C)cs1	862478335	WSLIJGKGQIZWGU-VIFPVBQESA-N	312.395	1.045	50	20	DDGD	
COC(C)(C)CCNC(=O)NNC(=O)c1cccc(N(C)C)c1	868990174	TVDSTEYJKDNOGS-UHFFFAOYSA-N	322.409	1.512	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)CN(C)CC(=O)NC(C)C)c1	760137374	WRDQUDOZOPQQIV-UHFFFAOYSA-N	310.373	1.034	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccn(-c2ccc(F)cc2F)n1	766632269	QVTKHGWNLUBPND-UHFFFAOYSA-N	306.272	1.322	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)c2ccc(C3CCCC3)cc2)N1	862460187	CRNIXHXMAIRAMO-AWEZNQCLSA-N	315.373	1.384	50	20	DDGD	
COc1ccccc1C(C)(C)C(=O)NNC(=O)c1cn[nH]c1	862475116	ZHHXHNYBNYGWJQ-UHFFFAOYSA-N	302.334	1.157	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cnn([C@@H](C)CC)c1C1CC1	763440830	BBFSVQINJRURSS-VIFPVBQESA-N	321.381	1.227	50	20	DDGD	
COCCOCC(=O)NNC(=O)CCc1ccc(C)cc1C	869913524	ZKTKJHUSYSBYFV-UHFFFAOYSA-N	308.378	1.046	50	20	DDGD	
COc1ccsc1C=NNC(=O)CNC(=O)c1cccs1	764683737	XVMHNSRULTXQOA-UHFFFAOYSA-N	323.399	1.698	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NNC(=O)CCOc1ccccc1	862995059	XRDWOVFNZCQLRG-AWEZNQCLSA-N	319.405	1.476	50	20	DDGD	
Cn1cc(/C=C\C(=O)NNc2ncnc3ccsc23)cn1	766670535	QXHKLWSYJSQRKR-IHWYPQMZSA-N	300.347	1.581	50	20	DDGD	
Nc1ccc(C(=O)NN=Cc2ccc(-n3cncn3)cc2)cc1	863950679	HPBFXGDUFZTZEP-UHFFFAOYSA-N	306.329	1.613	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@@H]2CCSC2)cc1	762184158	FOGIIUOBUHFZJF-SNVBAGLBSA-N	308.407	1.658	50	20	DDGD	
COc1cc(C(=O)NN=C(C)[C@@H](C)OC)cc(OC)c1OC	763121920	LRRIOCKKCOFXSB-SNVBAGLBSA-N	310.350	1.853	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNc2nccnc2Cl)cc1F	765842693	CUNMISFUTLSDNN-UHFFFAOYSA-N	323.715	1.984	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=C2CCN(C)C2=O)cc1	761764959	AWAHWLLCXGLUSL-NSHDSACASA-N	319.361	1.187	50	20	DDGD	
Cc1nc2c(cc1C(=O)NNc1ncc(F)cn1)c(C)nn2C	760911672	OVXYECRHWKUJSW-UHFFFAOYSA-N	315.312	1.271	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cnc(C2CCCC2)s1	767765022	ZVZZAOOSZSETHQ-UHFFFAOYSA-N	308.407	1.775	50	20	DDGD	
O=C(NNc1ccccc1Cl)c1ccc2nnc(O)n2c1	763091405	ISUBQRZERANJHV-UHFFFAOYSA-N	303.709	1.845	50	20	DDGD	
Cc1cc(=NNC(=O)c2ccccc2N(C)C(=O)C2CC2)cc[nH]1	862510389	FSYLCDOEEQBVRD-UHFFFAOYSA-N	324.384	1.942	50	20	DDGD	
CC1(C)Cc2cccc(C(=O)NNC(=O)c3cn[nH]c3)c2O1	862469563	OSATXFNJQSWJDX-UHFFFAOYSA-N	300.318	1.198	50	20	DDGD	
CC(=O)C1(NS(=O)(=O)c2ccc(CCCl)cc2)CC1	867395986	USDWJSJIQGOKLG-UHFFFAOYSA-N	301.795	1.868	50	20	DDGD	
COC(=O)Nc1ccc(C(=O)NNC(=O)C(C)(C)C)c(C)c1	1119735533	REXFTABDCOWQLW-UHFFFAOYSA-N	307.350	1.980	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccn([C@H](C)c2ccccc2)n1	760075854	GLJFYGSIHXOBFJ-SNVBAGLBSA-N	303.322	1.885	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)c1nc2ccccc2s1	872438376	SFFGJHIGCQARMC-UHFFFAOYSA-N	311.388	1.447	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cnc(C(C)C)s1	772212149	BXPAKJHKVBFYRR-MRVPVSSYSA-N	313.379	1.369	50	20	DDGD	
C=CC(=O)NCc1ccc(C(=O)NCCCSC#N)cc1	773587532	YPLHHDDMNYKQAW-UHFFFAOYSA-N	303.387	1.823	50	20	DDGD	
C[C@H](NCC(=O)NNC(=O)C(C)(C)C)c1c(F)cccc1F	774868788	ZGYOCBVRXPDHRG-VIFPVBQESA-N	313.348	1.809	50	20	DDGD	
CCOc1ccc2c(c1)[C@H](NC(=O)NNC(=O)C(C)C)CCO2	773561348	PPGWSFBEAVHMAX-CYBMUJFWSA-N	321.377	1.895	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](C)N1CCc2ccccc2C1	770542296	HRRIBPIRJCBASY-GFCCVEGCSA-N	304.394	1.126	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H](C[C@@H]2CCOC2)C1	773698994	FMAISQDWDCNSPR-MJBXVCDLSA-N	311.426	1.071	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(Cl)cc1OC	776077112	FEOMBIWTLSPNFD-UHFFFAOYSA-N	301.730	1.538	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2ccc3cccnn23)c1	777786404	APJHAGIDJYCWCM-UHFFFAOYSA-N	323.356	1.475	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)Nc1ccncn1	770768928	PYXCSDVKTFNSRA-UHFFFAOYSA-N	303.347	1.493	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CSCC#N)c1	873753907	FIXBBRAZVLZMRZ-UHFFFAOYSA-N	308.432	1.878	50	20	DDGD	
CCc1cnccc1CNC(=O)NNC(=O)c1cccc(C#N)c1	778648952	DGJVITKQDLERAB-UHFFFAOYSA-N	323.356	1.660	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Nc2ccnc(C)n2)c1	776495506	FTFGAUXQBCLZDZ-UHFFFAOYSA-N	315.333	1.325	50	20	DDGD	
COc1ccc(NNC(=O)c2c([N+](=O)[O-])c(C)nn2C)cc1	777521062	AFRTUGQOLRKPSW-UHFFFAOYSA-N	305.294	1.402	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cc(C)sn2)n1	770044646	RHRLAGXCXJBHCQ-UHFFFAOYSA-N	306.395	1.845	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C	775675136	NIYPBJIRHHOGSR-PSTGCABASA-N	309.454	1.984	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)c1cccc(Cl)c1)[C@H]1CCCO1	773557216	FEDVIBPTGANZAC-QWHCGFSZSA-N	321.764	1.465	50	20	DDGD	
COc1cc(C(=O)NCCCSC#N)cc2c1OCCO2	773573039	ZFCADINISNOJIZ-UHFFFAOYSA-N	308.359	1.801	50	20	DDGD	
O=C(NN=Cc1cscc1Cl)C(=O)Nc1ccccn1	771878778	LSDCASUFHIPDSX-UHFFFAOYSA-N	308.750	1.885	50	20	DDGD	
O=C(NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)c1cccc(Cl)n1	880695541	AQFVUUNNHGBXDI-HOTUBEGUSA-N	309.753	1.311	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1ccc2c(c1)OCCO2	781804332	GXWRZMLYCUAPMN-UHFFFAOYSA-N	306.709	1.658	50	20	DDGD	
CN1CCC(n2ccc(NC(=O)NNC(=O)C3CCC3)n2)CC1	786715580	OLFXMTBPKCHENU-UHFFFAOYSA-N	320.397	1.103	50	20	DDGD	
O=S(=O)(CBr)N[C@@H](CO)c1cccc(F)c1	782461286	ZHPWHZQOXLMSFY-VIFPVBQESA-N	312.160	1.131	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)CO1	784145126	VIPWXXFKPJLGSD-GMTAPVOTSA-N	310.325	1.165	50	20	DDGD	
C[C@H]1CN(C(=O)COC(=O)/C(C#N)=C/c2ccccc2)CCO1	785347848	HXEMSWYEGGDOLV-NCPSJORJSA-N	314.341	1.384	50	20	DDGD	
COc1ccc(F)cc1CC(=O)NNc1ncncc1Cl	781837649	NDJGQBOSBMINOC-UHFFFAOYSA-N	310.716	1.964	50	20	DDGD	
C[C@H](NC(=O)NNc1ncncc1Cl)c1nnc2n1CCC2	780987725	GYAKQXCPHSSKQJ-ZETCQYMHSA-N	322.760	1.055	50	20	DDGD	
CSSCCNC(=O)c1cc([C@@H]2CCCN2C)[nH]n1	897692770	DAXPJBZSEUVVLL-NSHDSACASA-N	300.453	1.917	50	20	DDGD	
COc1cc(NNC(=O)NCc2cccnn2)ccc1Cl	789247035	AFXMEOARPUSXID-UHFFFAOYSA-N	307.741	1.965	50	20	DDGD	
CCOC(=O)C1(CC(=O)NNC(=O)CC2CCCC2)CCC1	789901806	XYBLWETUZPEBFD-UHFFFAOYSA-N	310.394	1.838	50	20	DDGD	
COCC(=NNC(=O)CNC(=O)c1cccs1)C1CCCC1	780220811	YEKRFVCNNDBJSD-UHFFFAOYSA-N	323.418	1.787	50	20	DDGD	
CSC1(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CCC1	781846369	JBBIKWVBQGGGSS-GFCCVEGCSA-N	322.386	1.260	50	20	DDGD	
O=C(N=c1cc[nH]cc1Br)NN=c1cc[nH]cc1	782058255	HPRDKCJWXMZLCP-UHFFFAOYSA-N	308.139	1.232	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C#Cc1ccc(C(F)(F)F)cc1	790861537	MZQRXIXFEFSIGI-UHFFFAOYSA-N	313.279	1.749	50	20	DDGD	
CC(C)(C)OC(=O)NNS(=O)(=O)c1cccc(CC#N)c1	794579443	XCXLNAORRQOXFP-UHFFFAOYSA-N	311.363	1.471	50	20	DDGD	
C=C(CBr)COC(=O)[C@@H]1CCCCN1C(C)=O	795567073	NXGQLGDKLUEKGM-NSHDSACASA-N	304.184	1.882	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cn(C)nc1-c1cccnc1	791213033	WOQTWUOKFJZOKY-UHFFFAOYSA-N	308.345	1.942	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(C#N)c(F)c2)o1	793406695	VLMHHOQCHZVLQS-UHFFFAOYSA-N	323.305	1.222	50	20	DDGD	
Cn1ncc2c1C[C@H](C(=O)NNc1cnnc3ccccc13)CC2	799100666	XTEQGTMGFLGBSF-LLVKDONJSA-N	322.372	1.612	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@H]2Cc3ccc(F)cc32)cc1	793288525	HCDICZVSNUISDF-HNNXBMFYSA-N	309.300	1.798	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1CCC(F)(F)C1	795092458	GGRYOHHDXHXTMD-SECBINFHSA-N	318.345	1.969	50	20	DDGD	
COCc1ncc(C(=O)NNC(=O)c2ccccc2OC)s1	796322368	YSGKUAFWUXLBBF-UHFFFAOYSA-N	321.358	1.373	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cnn(C3CCCCC3)c2)n[nH]1	1319240071	CANCGJCLAMRPRS-UHFFFAOYSA-N	316.365	1.495	50	20	DDGD	
Nc1cnnc(NNC(=O)Cc2c[nH]c3ncccc23)c1Cl	1319208818	NZKISNJQLHIFRA-UHFFFAOYSA-N	317.740	1.274	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CCOCC(F)(F)C(F)F	1320814548	ORMOBSUREBXIKX-UHFFFAOYSA-N	319.324	1.197	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1cc(CN(C)C)on1	1325107479	IKFJZEUMSAAEFE-UHFFFAOYSA-N	317.349	1.511	50	20	DDGD	
COC(=O)NCCC(=O)NNc1cncc(Br)c1	1320269335	PRTQLFUOQRXMOZ-UHFFFAOYSA-N	317.143	1.033	50	20	DDGD	
CN(C)[C@@H](C(=O)NNc1ccn(C)n1)c1cccc(Cl)c1	1325747615	XBOYXFAINMEPNW-CYBMUJFWSA-N	307.785	1.820	50	20	DDGD	
CC[C@@]1(C(=O)NNc2ncc(Br)cn2)CCNC1	1326828632	KQNRNIFBOUCRQW-LLVKDONJSA-N	314.187	1.072	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H](C)Oc2ccccc2F)ncn1	1326191860	BBBIECLEEYHFQQ-NSHDSACASA-N	302.309	1.842	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cncn1-c1ccccc1)n1ccnc1	1320179419	MJLXBASSGRCGEF-LBPRGKRZSA-N	324.344	1.091	50	20	DDGD	
COc1cc(NNC(=O)c2ccc(C(N)=O)nc2)ccc1Cl	1321426450	ICCPVWFYALQDLG-UHFFFAOYSA-N	320.736	1.599	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N(C)Cc2ccn(C)n2)cc(C#N)n1C	1336289568	PYYMYNCMOAMTPX-AUWJEWJLSA-N	322.372	1.504	50	20	DDGD	
CS[C@@H]1CCC[C@H](NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)C1	1332089349	LZAAKUJZRRLLRQ-NNYUYHANSA-N	315.439	1.416	50	20	DDGD	
COCc1ncc(C(=O)NNC(=O)c2ccc(OC)cc2)s1	1258436618	JAZUYVKFVYBACY-UHFFFAOYSA-N	321.358	1.373	50	20	DDGD	
Cc1nccc(CCC(=O)NNc2ccc(C(C)(C)C)nn2)n1	1330562633	CTUWOCAPSQJSAI-UHFFFAOYSA-N	314.393	1.948	50	20	DDGD	
CC(C)n1ccc(CC(=O)NNc2nncc(N)c2Cl)n1	1334681551	RSLOYLLVQWQPRE-UHFFFAOYSA-N	309.761	1.175	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cc(F)c(O)c(F)c2)c1Cl	1342567964	HLZZYRXMWFBLPW-UHFFFAOYSA-N	315.667	1.453	50	20	DDGD	
CC1(C)CCc2nc(O)c(C(=O)NNC(=O)CC3CC3)cc2C1	1347749179	WLOMSABMYPJMEJ-UHFFFAOYSA-N	317.389	1.863	50	20	DDGD	
CN1CCC[C@H](NC(=O)NNc2ccc(C(C)(C)C)nn2)C1=O	1352305967	TVHBSNAKYCHFEO-JTQLQIEISA-N	320.397	1.021	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)[C@@H]2C[C@@H]2F)cc1OC	1520735727	QNDZVCMIYDQTOY-NEPJUHHUSA-N	324.352	1.993	50	20	DDGD	
O=C(NNC(=O)c1n[nH]cc1Br)Nc1ccccc1	1521428792	HSBJMEOKXQMRMV-UHFFFAOYSA-N	324.138	1.639	50	20	DDGD	
Cc1ccc(Cl)c(NC(=S)NNC(=O)C(=O)O)c1Cl	1600425138	WTEQFRMMSPZWGH-UHFFFAOYSA-N	322.173	1.704	50	20	DDGD	
CC[C@@H](CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C)C(=O)O	1603549857	FWIVBMDVWQTVKV-CBJCJLNRSA-N	314.345	1.339	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1ccc2nc(O)oc2c1	1601560881	DFYDMEBFHJVYPS-UHFFFAOYSA-N	313.269	1.989	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc(C(=O)O)c1	1600270990	WJCWLLZHZKWCON-CABZTGNLSA-N	321.333	1.271	50	20	DDGD	
CC(C)NC(=O)NNC(=O)Cn1cc(C(=O)O)c2ccccc21	1609707522	MQMUQWQWFRZRSK-UHFFFAOYSA-N	318.333	1.078	50	20	DDGD	
O=C(CCc1ccccc1C(=O)O)NNC(=O)c1cccnc1	1601290832	IQFXWPGXBSXDIL-UHFFFAOYSA-N	313.313	1.174	50	20	DDGD	
COc1cccc(NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)n1	1607325995	PBWOPVYVRXQIQB-ZNIXKSQXSA-N	317.345	1.446	50	20	DDGD	
Cc1cc(C(=O)O)oc1C(=O)NNC(=O)OCC(F)(F)F	1600133795	WBTBRMDACLZHMX-UHFFFAOYSA-N	310.184	1.220	50	20	DDGD	
O=C(CCC(F)(F)F)NNc1ccc(-c2nn[nH]n2)cn1	1606508229	JVHOFHABWDSOMO-UHFFFAOYSA-N	301.232	1.047	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2occ3c2CCOC3)c(F)c1	1602384104	FPRDWIHBDSGAEE-UHFFFAOYSA-N	320.276	1.947	50	20	DDGD	
CC(C)(C)[C@@H](C(=O)O)C(=O)NNC(=O)c1cccc(Cl)c1	1602852268	JLNPQZBUMTWDIA-SNVBAGLBSA-N	312.753	1.848	50	20	DDGD	
CC(C)(C)N1CCC(=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)CC1	1549317969	OAAHRKRDIHWKSR-HUUCEWRRSA-N	322.453	1.216	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NN=C[C@H]2CCCO[C@H]2c2nccn2C)O1	1552672486	NGBHHMWQJDCZMD-AAVRWANBSA-N	320.393	1.557	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@@H]2C=NNC(=O)[C@@H]2CC[C@@H](C)O2)cn1	1552672053	CJWVDSFLFBOUSY-RJZRQDKASA-N	320.393	1.650	50	20	DDGD	
N#Cc1ccc(NNC(=O)NCc2cccc(C(=O)O)c2)nc1	1574790935	NJMGALZJMRFWMP-UHFFFAOYSA-N	311.301	1.478	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@H]2NCC2(C)C)c1	1578420805	WFKCDJGAUSVVOT-GFCCVEGCSA-N	305.382	1.221	50	20	DDGD	
CC(=O)Nc1ccc(S(=O)(=O)N2CC=C(C#N)CC2)cc1F	1647166423	JCGWSLRTSMMJKM-UHFFFAOYSA-N	323.349	1.628	50	20	DDGD	
CCOc1ccc(NNC(=O)c2cn(CCCCN)nn2)cc1	1578183213	JNEQOHIPNQCHOY-UHFFFAOYSA-N	318.381	1.173	50	20	DDGD	
CCOCC(=O)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846387205	UQRVOSOTGAWAPD-UHFFFAOYSA-N	309.193	1.030	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2cc(C(=O)O)ccn2)c1	1599425979	UWLSJRIEAURMBW-UHFFFAOYSA-N	305.265	1.684	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@H]1CC[C@@H](C(=O)O)C1	1594706390	CMLGOJZJOSOXPI-WDEREUQCSA-N	324.764	1.531	50	20	DDGD	
COc1cccc(NCC(=O)NN=C2CC[C@H](C(=O)O)C2)c1	1599680060	WFDUWPQJCODDAS-JTQLQIEISA-N	305.334	1.464	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@](C)(CC(=O)O)c1ccncc1	1596862114	MZIJUDWKGGSKNX-AUECHBEKSA-N	303.318	1.332	50	20	DDGD	
N#C/C(=C\c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1nccs1	1592662289	KSBNRRRGGBWXGY-YRNVUSSQSA-N	323.341	1.869	50	20	DDGD	
O=C(O)c1cccc2c(C=NNC(=O)[C@H]3CCCCO3)c[nH]c12	1776077664	OXUTYOKEELIDDA-CYBMUJFWSA-N	315.329	1.885	50	20	DDGD	
CNCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl	1796805960	HBOJTEWRIAOSNI-NOHGZBONSA-N	319.808	1.159	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cnn(C(C)(C)C)c2C)[nH]n1	151222720	BTALHYFUMIHCLX-UHFFFAOYSA-N	304.354	1.053	50	20	DDGD	
COCc1ccc(C(=O)NNc2ncccc2[N+](=O)[O-])cc1	153397227	PKIVMDYZBBCCBC-UHFFFAOYSA-N	302.290	1.893	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2[nH]c(C)cc2C)cc1OC	156387797	DZJTZFSHWNZJTB-UHFFFAOYSA-N	317.345	1.724	50	20	DDGD	
CCCn1ncnc1CN(C)NC(=O)OCc1ccccc1	859386634	WUKSCXBNYUZXHA-UHFFFAOYSA-N	303.366	1.961	50	20	DDGD	
C[C@H](C(=O)N(C)NC(=O)OCc1ccccc1)n1cccn1	862287797	ZTAIIPPONMCFGO-GFCCVEGCSA-N	302.334	1.744	50	20	DDGD	
COc1ccc(Cl)cc1C(=O)NNC(=O)Cc1cc[nH]n1	171661032	VRLAKPURTULQQC-UHFFFAOYSA-N	308.725	1.075	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CCc2ccsc2)c1O	54163495	AJRZYNLHRNIEKT-UHFFFAOYSA-N	320.370	1.856	50	20	DDGD	
CCOC(=O)[C@@H](C)CNC(=O)c1c(C)nn(CCCl)c1C	175196703	LCVKSWPWBFPTDL-VIFPVBQESA-N	315.801	1.668	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)CCc1ccccc1)N(C)C1CC1	105264061	VIVGASNYBNLVRI-CYBMUJFWSA-N	318.421	1.432	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)c2cc[nH]c2C)o1	175808239	DCNHCDQRMUBTLP-UHFFFAOYSA-N	318.377	1.833	50	20	DDGD	
O=C(CC1CCC1)NNC(=O)C1CCN(c2ncccn2)CC1	173067700	ROTBOGVXDRRPFL-UHFFFAOYSA-N	317.393	1.031	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccc(Cl)cc1F	103424398	PUQUJDAKVYYHGY-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNC(=O)c2cccc3ncccc23)c1	106814501	PAFXAUYEROABLX-UHFFFAOYSA-N	322.324	1.840	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CCC[C@H]2C)cc1	105312126	GSFZAMMMOKRYFP-OCCSQVGLSA-N	305.378	1.893	50	20	DDGD	
COc1ccc2c(C)c(CCC(=O)NNC(C)=O)c(=O)oc2c1	53463501	OLMCEUXDQTYPTO-UHFFFAOYSA-N	318.329	1.210	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)COc1ccc(F)cc1F	171483072	DJXMUQKTBVONNU-UHFFFAOYSA-N	300.305	1.927	50	20	DDGD	
Cc1cc(C(=O)NNc2cnccn2)c2cnn(C(C)C)c2n1	114880027	CHTHCRMZUOHAMX-UHFFFAOYSA-N	311.349	1.868	50	20	DDGD	
COc1ccc(CCNC(=O)NNC(=O)C(C)(C)C)cc1F	170876555	QSGIQSIPCXWWLD-UHFFFAOYSA-N	311.357	1.753	50	20	DDGD	
C[C@@H](CCN(C)C)NC(=O)NNC(=O)c1c[nH]c2ccccc12	68600841	JXPDCLSVZCVYTO-NSHDSACASA-N	317.393	1.452	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1c(C)cc(OC)cc1C	29046456	BNSPBDNGEKFFID-UHFFFAOYSA-N	302.352	1.251	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H](C)c1c(C)noc1C	67430273	XGWSAGZPXCQQFG-SECBINFHSA-N	317.345	1.865	50	20	DDGD	
O=C(CCn1cnc2ccccc21)NNC(=O)c1ccccc1	302746131	YRFUGMXLASIEFC-UHFFFAOYSA-N	308.341	1.888	50	20	DDGD	
O=C(NCc1ccco1)NNC(=S)NCc1cccs1	64936929	QLGNEFRJISQRAI-UHFFFAOYSA-N	310.404	1.720	50	20	DDGD	
CCN(CCNC(=O)NNc1ccc(C(C)(C)C)nn1)C1CC1	118481067	RQXIWJAEOPUQKA-UHFFFAOYSA-N	320.441	1.885	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)CSC[C@@H]1CCCCO1	171482354	XTEOKBYXIPTEPO-NSHDSACASA-N	302.440	1.872	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)Oc2ccc(F)c(F)c2)ncn1	172278760	VFWGKBRHHGGQBX-SECBINFHSA-N	308.288	1.974	50	20	DDGD	
CC(=O)NNC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1	171236035	ITVAWFXHQYRFRF-UHFFFAOYSA-N	302.334	1.226	50	20	DDGD	
NC[C@H]1CCN(S(=O)(=O)c2ccc(CCCCl)cc2)C1	178903009	NMJPVTUZXMISOY-CYBMUJFWSA-N	316.854	1.827	50	20	DDGD	
CC[C@H]1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	125821267	UGSYOFWGOMLFDF-NSHDSACASA-N	320.349	1.088	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)C(=O)NNC(=O)Cc1ccccc1F	66775460	HSTIKIDNGLIYQB-SECBINFHSA-N	319.336	1.924	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H](C)NC(=O)C(C)(C)C	120627065	LPMUFKLKQNIUSZ-NSHDSACASA-N	320.393	1.699	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccc(C#N)c(O)c2)cc1	188255384	FNNIVKULLOBMFX-UHFFFAOYSA-N	324.340	1.445	50	20	DDGD	
CC[C@H]1CCCC[C@H]1OCC(=O)NNC(=O)c1cccn1C	184672804	DOYWRHWMZCSLLF-GXTWGEPZSA-N	307.394	1.772	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)c1cccn1C	186067629	IDSDMUZPBYAOGD-UHFFFAOYSA-N	323.374	1.194	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H]2CCC[C@@H]2CCO)cc1	188466288	VEXMVRWJHRRKDC-UKRRQHHQSA-N	319.405	1.744	50	20	DDGD	
CN(NC(=O)c1cccc(OCc2cccs2)c1)C(N)=O	182634644	SDKWOLFABSNRCI-UHFFFAOYSA-N	305.359	1.982	50	20	DDGD	
Cc1noc(-c2ccccc2)c1NC(=O)NNC(=O)CN(C)C	126668539	DBNOPIRKMQZKLQ-UHFFFAOYSA-N	317.349	1.364	50	20	DDGD	
CN(NC(=O)c1occc1COc1cccc(C#N)c1)C(N)=O	181072948	PMPKTANPMRROOC-UHFFFAOYSA-N	314.301	1.386	50	20	DDGD	
COc1ccc2c(c1)C[C@H](C(=O)NNc1ncc(F)cn1)CO2	122449435	CZXKOHPOUALALE-JTQLQIEISA-N	318.308	1.319	50	20	DDGD	
O=C(NNC(=O)c1cc(F)c(O)c(F)c1)NC1CCCCC1	186405006	GTOKUXGQKCHQAI-UHFFFAOYSA-N	313.304	1.947	50	20	DDGD	
CC[C@@H]1C[C@H](C(=O)NNc2nc(-c3ccncc3)no2)CCO1	183585635	PXINVSSPQWOZEG-VXGBXAGGSA-N	317.349	1.780	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc([S@@](C)=O)c(F)c1	186172815	WXAKGOLKGOLFJD-IJSAXESFSA-N	315.370	1.762	50	20	DDGD	
CN(C)C(=O)NNC(=O)Cc1csc(-c2cccc(F)c2)n1	194927932	YGOINKZPIHWNFM-UHFFFAOYSA-N	322.365	1.794	50	20	DDGD	
COC(=O)C[C@@H]1CCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	194786694	GYFBCGPUNFOWSY-XXYUJHKVSA-N	314.341	1.853	50	20	DDGD	
CC(=O)N1CCC(NC(=O)NNc2cccc([N+](=O)[O-])c2)CC1	43879512	XFKDCBDXWRUBAO-UHFFFAOYSA-N	321.337	1.232	50	20	DDGD	
COC(=O)NNC(=O)CCc1nc(-c2ccc(Cl)cc2)no1	192092663	STAUTIZJIDCDIX-UHFFFAOYSA-N	324.724	1.710	50	20	DDGD	
Cc1noc(Cl)c1CCC(=O)NNC(=O)Cc1ccncc1	82978052	ATXMNDCLFXTUDS-UHFFFAOYSA-N	322.752	1.354	50	20	DDGD	
COc1ccc(CCCC(=O)NNC(=O)c2ccncc2)cc1	195381403	ZVZJDRQDMLVZEL-UHFFFAOYSA-N	313.357	1.874	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)Cc2ccccc2F)C[C@@H](C)O1	245713762	TUIJIQJOAPQUKX-PTEHBNRSSA-N	323.368	1.655	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@H]2CC2(C)C)cc(OC)c1OC	269675516	CTUJWFNWROOGSR-SNVBAGLBSA-N	322.361	1.520	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CSCCS2)c(O)c1	267513095	MKACUNWJGQCURI-LLVKDONJSA-N	312.416	1.310	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@@H](OC)C(C)(C)C	266773736	STRIMGONOZZVEV-CYBMUJFWSA-N	323.393	1.700	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)C1(O)CCCC1	267910938	DTEJXUFRMGDZCQ-UHFFFAOYSA-N	312.369	1.835	50	20	DDGD	
Cc1noc(CCCNC(=O)NNc2c(F)cccc2F)n1	265481180	VIOZASHABGHONE-UHFFFAOYSA-N	311.292	1.915	50	20	DDGD	
COCCC1(CNC(=O)NNC(=O)c2ccccc2O)CC1	269176678	ZZCYSQBKIIJOPX-UHFFFAOYSA-N	307.350	1.153	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1	368680227	KFIWRKJGKCTLJT-JTQLQIEISA-N	311.382	1.333	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1cnc2c(c1)COCC2	363804016	KKUHAVSSNOXYMP-UHFFFAOYSA-N	308.338	1.716	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCc1cn2c(n1)SCC2	276712579	MAEKNHFBIFQZOJ-UHFFFAOYSA-N	318.406	1.561	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	271465296	XTQMDUKNYOISAA-UHFFFAOYSA-N	300.702	1.554	50	20	DDGD	
CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)COCc1ccccc1	274657299	DCEWPUUHXANUSM-ZDUSSCGKSA-N	321.421	1.517	50	20	DDGD	
O=C(NC[C@H]1CCC2(CCCCC2)O1)NNc1cccnn1	277286851	QNPBIGLEJRYDNY-GFCCVEGCSA-N	305.382	1.985	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNc1nc(-c2cccnc2)no1	270798550	WKWUEXHMTYCWKK-UHFFFAOYSA-N	319.321	1.164	50	20	DDGD	
CCOc1ccc(C#N)cc1NC(=O)NNC(=O)CC1CC1	273525564	XNPLYVGMJYROSB-UHFFFAOYSA-N	302.334	1.910	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NNc1ccc(C#N)c(Cl)c1	273563764	WSYKTXXUVNHTCP-LLVKDONJSA-N	322.796	1.623	50	20	DDGD	
Cc1cccc([C@@H](O)CNS(=O)(=O)CBr)c1	272871217	ZRIYLVZUXSHICL-JTQLQIEISA-N	308.197	1.300	50	20	DDGD	
COC[C@@H](CNC(=O)NNc1cc(F)c(F)c(F)c1)OC	273021207	TZHJTWZVSMJSRS-MRVPVSSYSA-N	307.272	1.391	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(C(C)C)no2)nc1	270370031	LPFKJKMPMZDJFD-UHFFFAOYSA-N	304.306	1.737	50	20	DDGD	
CC(Cl)(Cl)C(=O)NNC(=O)COc1ccc(F)cc1	271939996	ALSVTDBCGAYDOK-UHFFFAOYSA-N	309.124	1.546	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2ccc3c(c2)CCC3)n1	279763113	FSKBYGHRUZOXNE-UHFFFAOYSA-N	309.369	1.882	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@@H]1CCc2[nH]ncc2C1	270251519	IVHLHGTWKOVBST-MRVPVSSYSA-N	314.374	1.663	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(C#N)cc2)CCO1	271302386	UWGRDIIKHJNVEH-MFKMUULPSA-N	302.334	1.070	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H](C)N1CCSCC1	281161020	IEUWRCMQKILRDT-LBPRGKRZSA-N	322.434	1.585	50	20	DDGD	
CCCS(=O)(=O)c1ccccc1C(=O)NN(C)CCOC	288524782	WIICYQNGURXHBD-UHFFFAOYSA-N	314.407	1.093	50	20	DDGD	
Cc1ccnc2ccc(C(=O)NNC(=O)N3CCOCC3)cc12	285292107	TWSYFSSGXOIFNC-UHFFFAOYSA-N	314.345	1.230	50	20	DDGD	
Cn1c(NNC(=O)C(C)(C)C2CC2)nc2ccccc2c1=O	287295612	BRXBGAQDUNVQPP-UHFFFAOYSA-N	300.362	1.813	50	20	DDGD	
CN(C)N(C(=O)c1cccc2cc[nH]c12)[C@@H]1CCS(=O)(=O)C1	292858491	YMDMUZPDRSVBNC-GFCCVEGCSA-N	321.402	1.274	50	20	DDGD	
CCOc1ccc(NNC(=O)CCCS(C)(=O)=O)cc1	294359478	NWSUTXOQJWEHKO-UHFFFAOYSA-N	300.380	1.353	50	20	DDGD	
CO[C@](C)(C(=O)NNc1cccc(S(C)(=O)=O)c1)C1CC1	291884081	JFWMFMASKFSDOL-AWEZNQCLSA-N	312.391	1.348	50	20	DDGD	
C[C@@H](CCC1CC1)NC(=O)NNc1ccc(-n2ccnc2)nn1	805298452	RTGPLCQFMNQCMN-NSHDSACASA-N	315.381	1.867	50	20	DDGD	
O=C(CN1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1)NNC(=O)c1ccccc1	292962489	JNTFQVSAFVILPU-YHUYYLMFSA-N	313.401	1.426	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1cccc2c1CNC2=O	806962138	ZEIJFGUZUCGUCJ-UHFFFAOYSA-N	310.313	1.012	50	20	DDGD	
CCOCCCC(=O)NNC(=O)c1ccc(Cl)cc1OC	298474239	CRILFOSGIRFZAW-UHFFFAOYSA-N	314.769	1.926	50	20	DDGD	
CNc1nc(C)cc(C(=O)NNc2cccc(C(=O)OC)c2)n1	807211632	FBEDJUVUIGGWHW-UHFFFAOYSA-N	315.333	1.370	50	20	DDGD	
CCC[C@@]1(CO)CCN([C@H](C)C(=O)NNC(=O)CC(C)C)C1	808796341	IFOASNMPUOJKQT-CZUORRHYSA-N	313.442	1.053	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)N[C@@H]2CC2(C)C)cc1	299170235	JCEZIWLYWHEDON-CYBMUJFWSA-N	305.378	1.757	50	20	DDGD	
COC(=O)N(C)CC(=O)NNc1cccc(Br)c1	299230095	QPEQWHPAYBERQT-UHFFFAOYSA-N	316.155	1.590	50	20	DDGD	
CCOC(=O)COCCOC(=O)/C(C#N)=C/c1ccccc1	805540177	KANWEQZHNXSQMM-GXDHUFHOSA-N	303.314	1.716	50	20	DDGD	
C[C@H](C(=O)NNc1ccc2c(=O)[nH]ccc2c1)c1cnn(C)c1	803429514	BJKQWIYCGZYNAY-JTQLQIEISA-N	311.345	1.508	50	20	DDGD	
CC(C)[C@@](C)(NC(=O)[C@@H](Br)C(C)(C)C)C(N)=O	804427523	CTUNDBPZLDMPCX-PRHODGIISA-N	307.232	1.812	50	20	DDGD	
Cc1cc(=NC(=O)NNC(=O)c2c[nH]nc2C)c2ccccc2[nH]1	809888171	SCVIMNBGFROFCM-UHFFFAOYSA-N	324.344	1.463	50	20	DDGD	
CCSc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cn1	294128700	GDQSCVFVNDVYQM-ONGXEEELSA-N	309.391	1.522	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)c2cccc(Cl)c2)n1C	811632470	PYFLCROKUNCYKG-UHFFFAOYSA-N	305.769	1.903	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)cc1	817882567	SYDJEUORYDHEJX-VXGBXAGGSA-N	305.378	1.820	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=Cc2cnc(N(C)C)n2C)c1	811632428	ORKPFXDCTHMURK-UHFFFAOYSA-N	314.393	1.316	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccnnc2)c(C)n1C(C)C	817692527	RYUMNEBZMPMTIY-UHFFFAOYSA-N	301.350	1.551	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCC[C@@]1(O)C[C@H]2CC[C@H]1C2	813789144	KJFMWMHWHMMCHQ-MQIPJXDCSA-N	311.426	1.694	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)c2c(Br)nnn2C)c1	810046212	JKRLHRFQSIVVGM-UHFFFAOYSA-N	324.182	1.951	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2snnc2C)cc1	814213179	BGXVJGPMTJZPHZ-UHFFFAOYSA-N	306.347	1.384	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNC(=O)c2ccc(C)o2)cc1	810489732	LRYBGZSVDXTBDL-UHFFFAOYSA-N	316.313	1.840	50	20	DDGD	
Cn1nnc2c1C[C@@H](C(=O)NN=c1cc[nH]c3ccccc13)CC2	810361017	GICANNSEJMLICQ-NSHDSACASA-N	322.372	1.033	50	20	DDGD	
CN(NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)C1CC1	819645874	VICJDTSLSBJIHP-UHFFFAOYSA-N	302.309	1.111	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1c[nH]nc1-c1ccccn1	811440375	ZLSOOBUCIUWSJV-UHFFFAOYSA-N	320.316	1.271	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)c1cnn(C)c1	725908843	WTICIVIQADYMME-UHFFFAOYSA-N	305.363	1.060	50	20	DDGD	
CCCCS(=O)(=O)CC(=O)NNc1ccc(OCC)cc1	820573314	LJLGAAZRHPFCEQ-UHFFFAOYSA-N	314.407	1.743	50	20	DDGD	
CC(Cc1cccs1)=NNC(=O)[C@@H](C)CN1CCOCC1	729636044	DCEVLSDVDVSLBM-LBPRGKRZSA-N	309.435	1.751	50	20	DDGD	
Cn1c(=NNC(=O)/C=C\[C@H]2CCOC2)sc2ccccc21	822362692	AZLZKQWJWFDNDI-PQRLWZCSSA-N	303.387	1.764	50	20	DDGD	
CCN(CC(=O)NNC(=O)C(C)C)[C@H](C)c1cccc(O)c1	827998667	AMFPOXITGULDSS-GFCCVEGCSA-N	307.394	1.579	50	20	DDGD	
CCN(C(C)=O)c1ccc(NC(=O)NNC(=O)CC(C)C)cn1	824586812	HGRVLGBMBDPJJL-UHFFFAOYSA-N	321.381	1.653	50	20	DDGD	
C#CC(C)(C)N(C)CC(=O)NNC(=O)c1cc(C)c(CC)s1	491774830	XQNAQJXKNIQZAW-UHFFFAOYSA-N	321.446	1.724	50	20	DDGD	
Cc1cc(C)n(Cc2cccc(C(=O)NN(C)[C@@H](C)CO)c2)n1	823965884	VDGFJFMNPSJTJC-AWEZNQCLSA-N	316.405	1.506	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCc2cc(C)on2)c1F	821939213	MSEHFDMFEKUFBZ-UHFFFAOYSA-N	321.308	1.985	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@H](C)C[C@H](C)O)cc(C#N)n1C	490844083	PJGGOQHZRVQMJX-HENRFYLWSA-N	300.362	1.388	50	20	DDGD	
CCCN1CCC[C@@H](C(=O)NNC(=O)c2ccccc2C)C1	822921215	OVIDYWZSIZTLSX-CQSZACIVSA-N	303.406	1.878	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCCOc2ccccc21	728427646	GYUGIRMNABZFRJ-UHFFFAOYSA-N	301.346	1.302	50	20	DDGD	
CCCCC[C@H](O)C(=O)NNC(=O)Cc1ccc(Cl)cc1	822212594	XZVSNCGJQUQFNE-ZDUSSCGKSA-N	312.797	1.971	50	20	DDGD	
CCOC(=O)NNC(=O)c1nnn(Cc2ccccc2)c1CC	496219524	RXYZLGHIBQOGIK-UHFFFAOYSA-N	317.349	1.280	50	20	DDGD	
CN(N=CC1CC1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1	496137841	OKDDYBQUBOPHRX-UHFFFAOYSA-N	310.398	1.987	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCC[C@@H]1COc2ccccc2O1	491177874	ZMJKODDUBJYBIT-RSKUSDAESA-N	302.330	1.777	50	20	DDGD	
CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NN=c1cc[nH]cc1	495417718	CKCDEDJPWGCSIE-NSHDSACASA-N	324.406	1.257	50	20	DDGD	
CC(C)OC(=O)[C@H](C)CNC(=O)[C@@]1(C)C[C@@H]1Br	821912426	ZHMQHSCEICBGAN-PTRXPTGYSA-N	306.200	1.864	50	20	DDGD	
CC(=NNC(=O)Cc1cccnc1)c1ccc(-n2cnnn2)cc1	728786636	QPVJCLGOUXIHSQ-UHFFFAOYSA-N	321.344	1.140	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCCC[C@H]1C	820933340	SOBDAQUGUUFCQY-FRRDWIJNSA-N	312.410	1.938	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1C[C@H](C(F)(F)F)CC[C@H]1C	828756338	WAYYONMHAQEGIL-NXEZZACHSA-N	309.332	1.453	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H](C)c2ncn(C)n2)cc(C#N)n1C	490905726	AJGJQXGQFWMKLL-ASOMJZDJSA-N	323.360	1.118	50	20	DDGD	
CN(CCc1ccccc1)CC(=O)NNc1cccc(F)n1	822902768	DDCHIRMOFPIUEN-UHFFFAOYSA-N	302.353	1.838	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(-c2nn[nH]n2)cc1Cl	821314285	JQUGAYOPJBHIBN-CLFYSBASSA-N	318.724	1.903	50	20	DDGD	
CNC(=O)NNC(=O)CCCCc1ccc(OC)c(OC)c1	900352428	FJRHNLQABFDLMR-UHFFFAOYSA-N	309.366	1.377	50	20	DDGD	
CC(C)[C@@H](CC(F)(F)F)NC(=O)c1ccc(B(O)O)c(F)c1	584979171	MKHVCIRENHWDPS-LLVKDONJSA-N	321.079	1.212	50	20	DDGD	
CCC[C@@H]1CCC[C@H]1CNC(=O)c1cc(B(O)O)ccc1F	584997658	JTNGEOZMIYYKDR-NEPJUHHUSA-N	307.174	1.452	50	20	DDGD	
CCc1c(C(=O)NNC(=O)[C@@H](CC)c2ccccc2)cnn1C	731996365	LWASOPQVUJWOKJ-ZDUSSCGKSA-N	314.389	1.937	50	20	DDGD	
CC(C)Cn1cccc(C(=O)NNC(=O)CC(F)(F)F)c1=O	823368581	LHAQDIOTVWLIGX-UHFFFAOYSA-N	319.283	1.218	50	20	DDGD	
CN(C/C=C\C(=O)NNc1ccnc(F)c1)CC(F)(F)F	492921581	JKAOHJPZMIYZPJ-IHWYPQMZSA-N	306.263	1.714	50	20	DDGD	
C[C@@H]1CN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C[C@H](CO)O1	490692941	HYNQXOCQYMURMB-IUAPLRCTSA-N	304.321	1.341	50	20	DDGD	
COC1CCC(N(C)[C@@H](C)C(=O)NNC(=O)CC(C)C)CC1	734486200	CUUSWPJTCUXLQL-HSBZDZAISA-N	313.442	1.458	50	20	DDGD	
CN(C)c1ncc(/C=C(\C#N)C(=O)NCc2ccccc2)n1C	491177489	XBTNUNZOMPVSEG-NTEUORMPSA-N	309.373	1.709	50	20	DDGD	
O=C(Cc1ccccc1F)NN=C1C(=O)Nc2cc(O)ccc21	731321838	QVONKPIXQBCJJT-UHFFFAOYSA-N	313.288	1.546	50	20	DDGD	
CCCNC(=O)NN=C1CCN(Cc2ccccn2)C[C@@H]1C	734365317	FVTONMNSOLFRHH-ZDUSSCGKSA-N	303.410	1.989	50	20	DDGD	
CC(C)c1ccc(NNC(=O)C(=O)Nc2ccnn2C)cc1	835972572	KODWVYIGXGCKEM-UHFFFAOYSA-N	301.350	1.625	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc(CC#N)cc1	831151537	YDZQXTMSFILVFI-GXFFZTMASA-N	302.334	1.330	50	20	DDGD	
CCCCO[C@H]1C[C@@H](NC(=O)c2ccc(B(O)O)cc2)C1(C)C	584961463	REROCAJQYYVJGT-CABCVRRESA-N	319.210	1.080	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](c2cccc(F)c2)C1	732201271	SXRYAZPAHLSJTD-AAEUAGOBSA-N	307.369	1.561	50	20	DDGD	
CC[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@@H]1CCCCO1	833250415	GNFBMQIPWVTDNJ-GJZGRUSLSA-N	304.390	1.972	50	20	DDGD	
CC(C)(C)[C@@H](NCc1ccc(B(O)O)o1)c1ccc(F)cc1	585021181	QOQUZKSZAKIUEI-HNNXBMFYSA-N	305.158	1.976	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1ccc(N2CCCCC2)cc1	833384099	BLYFRSQVVCCZFM-UHFFFAOYSA-N	318.377	1.785	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cccc(-n2cccn2)c1	833250787	LWARXCMWIZOLHE-CQSZACIVSA-N	314.345	1.202	50	20	DDGD	
O=S(=O)(CCl)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1	830995854	NIMJRJLEIITZDY-VIFPVBQESA-N	304.803	1.388	50	20	DDGD	
COc1cc(F)cc(C=NNC(=O)[C@@H](C)CN2CCOCC2)c1	834935033	XNGZRXRRHXJXLA-LBPRGKRZSA-N	323.368	1.253	50	20	DDGD	
CO[C@H]1C[C@@H](N(C)CC(=O)NNC(=O)C(C)(C)C)C12CCC2	832209950	QOYSWSINQSXMES-NEPJUHHUSA-N	311.426	1.069	50	20	DDGD	
O=C(Cn1nc(-c2ccccc2)oc1=O)NCC(Cl)Cl	837652003	WBKDEICKTLJHFW-UHFFFAOYSA-N	316.144	1.423	50	20	DDGD	
O=C(COCc1ccccc1)NN=Cc1ccc(O)c(O)c1	737439005	QMPZNCKTUFUARZ-UHFFFAOYSA-N	300.314	1.765	50	20	DDGD	
COC(=O)c1ccc2[nH]cc(C=NNC(=O)NCC3CC3)c2c1	731925373	AMSOTBNVPQYEGS-UHFFFAOYSA-N	314.345	1.998	50	20	DDGD	
C[C@@](O)(CNCc1cccc(B(O)O)c1)c1cccc(Cl)c1	585036333	HTQVAZLKSWOLEE-MRXNPFEDSA-N	319.597	1.017	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1cccnc1Cl	732067652	GUGXJIGMJMVIJI-UHFFFAOYSA-N	316.708	1.937	50	20	DDGD	
O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCB(O)O	585061732	ZJXYUKFYMBEZDY-UHFFFAOYSA-N	308.530	1.056	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)COCc1ccccc1	834959073	KWMMNSIPOSKKJY-UHFFFAOYSA-N	301.350	1.273	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=C1CCNC(=O)CC1	834928497	ODOHYWLBSXCOLG-JTQLQIEISA-N	307.325	1.365	50	20	DDGD	
O=C(NN=C1CCN(Cc2ccccc2)C1)[C@@H]1CCCCO1	834987693	AFTYDBQDMVLGHH-INIZCTEOSA-N	301.390	1.934	50	20	DDGD	
C[C@@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC12CCC2	584970887	URFCVFIRIIEZRB-LLVKDONJSA-N	305.158	1.158	50	20	DDGD	
O=C(NCCOC[C@H]1CCCO1)NNc1c(F)cccc1F	735756720	BAUJEPXFNDGMEL-SNVBAGLBSA-N	315.320	1.787	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc(C#N)c1)c1nnc2n1CCC2	730934771	LAAYFSZOANUYLB-SNVBAGLBSA-N	311.349	1.483	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCC[C@H]1CC	830189989	GMQYVEJWKILUNI-NEPJUHHUSA-N	300.399	1.749	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2(C#N)CC(C)C2)cc1F	837050768	RZXNZVGMOIVUEF-UHFFFAOYSA-N	305.309	1.995	50	20	DDGD	
O=C(NCCOc1ccc(F)cc1)NNC(=O)C1CCCC1	916612758	AQBSVUJOMAQQKO-UHFFFAOYSA-N	309.341	1.725	50	20	DDGD	
COc1ccc(COCCCNS(=O)(=O)CCl)cc1	830361857	VOIQAMZYSDHRDY-UHFFFAOYSA-N	307.799	1.718	50	20	DDGD	
O=C(NN=C1CCOC[C@@H]1CN1CCCCC1)[C@H]1CCCCO1	834986869	RSMBWZVNVBMGRR-GOEBONIOSA-N	323.437	1.550	50	20	DDGD	
CC(=O)Nc1cccc(OCCNS(=O)(=O)CCl)c1	830395708	VUPMAWSNHULWFW-UHFFFAOYSA-N	306.771	1.140	50	20	DDGD	
CCOC(=O)[C@@H](C)CNS(=O)(=O)c1ccc(CCl)cc1	914254480	KOJGXQQIURKECZ-JTQLQIEISA-N	319.810	1.903	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@@](C)(O)C2CCC2)c1	843870718	ZILBRCACCKBHAH-INIZCTEOSA-N	320.393	1.774	50	20	DDGD	
COCc1cc(C(=O)NNc2ccc(CC(=O)OC)cc2)no1	846374668	VPPUCPWYLBOBJL-UHFFFAOYSA-N	319.317	1.293	50	20	DDGD	
CCn1ncc(C=NNC(=O)CSc2ccc(C)cc2)n1	841612326	IHCTVNPHWCSWSR-UHFFFAOYSA-N	303.391	1.849	50	20	DDGD	
CN(C)Cc1ccc(C(=O)NN=Cc2ccc(C(=O)O)cc2)o1	916365118	HDYIYVCXUNTTFB-UHFFFAOYSA-N	315.329	1.803	50	20	DDGD	
CC[S@@](=O)c1ccccc1C(=O)NNC(=O)c1ccccn1	917505897	VPUXAMJBBBOBIO-JOCHJYFZSA-N	317.370	1.284	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	843663172	VUBWTEMISDEYHM-RISCZKNCSA-N	320.389	1.545	50	20	DDGD	
C[C@H](CCN)NC(=O)NNC(=O)c1cccc2ccccc12	841966363	CLDWRNVSTDMPSZ-LLVKDONJSA-N	300.362	1.521	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)C(=O)N2CCCC2)C12CCCCC2	741459887	JAYFVFBMJTVSOU-CQSZACIVSA-N	321.421	1.840	50	20	DDGD	
CCC(=O)NN[C@@H](C(N)=O)c1ccc(Br)cc1F	743461101	CYSFVECKUJRPFE-SNVBAGLBSA-N	318.146	1.145	50	20	DDGD	
Cc1c[nH]cc1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	916727825	NUBWEQJHDOIQMA-JTQLQIEISA-N	305.309	1.691	50	20	DDGD	
COc1cc(C(=O)NNc2ncccn2)cc2c1OCCO2	913043990	HXBGGVPFVLBSFM-UHFFFAOYSA-N	302.290	1.013	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NC[C@@H]2CCC[C@@H]2C2CC2)cn1	840395092	JFMSGDKVGXNSER-WCQYABFASA-N	305.382	1.190	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H]2CC[C@@H](CN)C2)cc1	842009539	DSLGMMQHJFVGNL-TZMCWYRMSA-N	304.394	1.320	50	20	DDGD	
O=C(CSc1nncc2ccccc12)NNC(=O)C1CC1	842535802	MESKOADZWPAHRX-UHFFFAOYSA-N	302.359	1.279	50	20	DDGD	
C[C@H](Cc1ccc(C#N)cc1)C(=O)NNC(=O)[C@@H]1CCCCO1	847061921	MNOSKVHWBDZLGJ-DOMZBBRYSA-N	315.373	1.453	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCC[C@H]2CCCN2)cc1	842005608	QXRWWPRXWWHFAW-OAHLLOKOSA-N	318.421	1.725	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](C)Cc2cnc[nH]2)c(F)c1	848215044	WRRQXLRHQUPORC-SECBINFHSA-N	320.324	1.657	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CN[C@@H](CC)CC#N)cc1C	846984528	BRKSKWDHUKOSNP-NSHDSACASA-N	322.434	1.662	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(F)ccc1Cl	843660439	LGQFKQIOZFTKCB-IONNQARKSA-N	300.717	1.665	50	20	DDGD	
O=C(NNc1ccncn1)[C@H](C[C@H]1CCCO1)C(F)(F)F	846237006	YNDSQSDSMXUFAP-BDAKNGLRSA-N	304.272	1.667	50	20	DDGD	
CCC(=NNC(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1	741838203	QNZSVGGWMQVJNG-LLVKDONJSA-N	321.333	1.892	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1ccc(C(=O)NC2CC2)cc1	842553208	FRKGGKUODPHQJY-IAQYHMDHSA-N	315.373	1.454	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCC[C@@H](C)[C@@H]2C)cc1	741790117	CMRMNSLHLFBXFE-KGLIPLIRSA-N	303.406	1.876	50	20	DDGD	
O=C(NCCC[C@H]1CCCN1)NNc1ncnc2ccsc12	842007796	UGHJPGREPVPBKQ-SNVBAGLBSA-N	320.422	1.850	50	20	DDGD	
NCC[C@@H](NC(=O)NNc1ncncc1Cl)C(F)(F)F	841333947	VHZDQYPOMKHPIC-ZCFIWIBFSA-N	312.683	1.036	50	20	DDGD	
Cn1c(=NNC(=O)[C@@H]2CCCNCC2)sc2ccccc21	846667392	MPWCXBVETMLCJS-LLVKDONJSA-N	304.419	1.561	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1cc(Cl)c2c(c1)OCCO2	842559575	VJJVQUPDNMGCCS-MWLCHTKSSA-N	324.764	1.986	50	20	DDGD	
COC/C(C)=C/C(=O)Nc1cccc(NC(=O)NN(C)C)c1	846033729	MUQHRAPTISSVNW-DHZHZOJOSA-N	306.366	1.816	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NCCC[C@H]1CCCN1	842005862	OHCQREVHQAIDCA-OAHLLOKOSA-N	318.421	1.400	50	20	DDGD	
CCCC=NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1	755550296	GNFZDGIBOBFAIT-UHFFFAOYSA-N	303.771	1.503	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C1CC(OC)C1	858129807	XOCJXIRLEWQLSQ-UHFFFAOYSA-N	322.361	1.037	50	20	DDGD	
CC(C)NC(=O)CNC(=S)NC[C@@]1(C)C[C@H]1Br	857204662	VIYAYWSUQZEUFY-LDYMZIIASA-N	322.272	1.149	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NC[C@@]1(C)C[C@@H]1Br	857394399	QWUSSWLYNLAMLR-GXFFZTMASA-N	319.243	1.925	50	20	DDGD	
CNC(=O)Nc1ccc(C(=O)NNC(=S)NC(C)(C)C)cc1	929428787	HIPNBIDDNPLFNW-UHFFFAOYSA-N	323.422	1.345	50	20	DDGD	
C#CC(=O)NNC(=O)c1ccc(OCCC(C)C)c(OC)c1	753901989	LQMYTWODAOJBGZ-UHFFFAOYSA-N	304.346	1.514	50	20	DDGD	
C[C@@H]1C(=O)CCCN1C(=O)NC[C@@]1(C)C[C@H]1Br	923374394	SWISSOUJXRSVDI-HLUHBDAQSA-N	303.200	1.923	50	20	DDGD	
CCOC(=O)C[C@H](O)COC(=O)/C(C#N)=C/c1ccc(C)cc1	859455221	YZLKCLUTUZELEG-NHXNDTTKSA-N	317.341	1.759	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1ccc2c(c1)CCO2	755719384	KYWGZDSOOZIGBK-UHFFFAOYSA-N	303.240	1.727	50	20	DDGD	
COc1ccc(C(=O)NNc2nc(O)c3ccccc3n2)cn1	758311051	WXCLAIMVGGZKBD-UHFFFAOYSA-N	311.301	1.496	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@H]2CCCN2C=O)c(Cl)c1	854380131	ZBZYWPZVCGRILA-GFCCVEGCSA-N	324.768	1.422	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C1CC(F)(F)C1	754014599	PYQBXMYEMLEXMD-UHFFFAOYSA-N	313.304	1.300	50	20	DDGD	
Cc1cc(NNC(=O)C2CCC(C(=O)N(C)C)CC2)nc(C)n1	857131139	RMMFXZPOCRPORO-UHFFFAOYSA-N	319.409	1.431	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)C[C@@H](OC)C2	758056514	MUSVWUOZBXZEQX-HZMBPMFUSA-N	305.378	1.999	50	20	DDGD	
CO/C(=C/c1ccccc1)C(=O)NNC(=S)N[C@H](C)C1CC1	855100179	WGMSRMGBWUKTKP-ZTMOJVSCSA-N	319.430	1.968	50	20	DDGD	
COC(=O)COCC(=O)OC[C@@H](CBr)C1CC1	859689472	QNBHBDWKKGIRMQ-SECBINFHSA-N	309.156	1.140	50	20	DDGD	
Cc1nc(C=NNC(=O)[C@@H](C)CN2C[C@H](C)O[C@H](C)C2)[nH]c1C	853280571	HDDSCJVTKCFPIS-SDDRHHMPSA-N	321.425	1.222	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc(Cl)nc1Cl	756502467	DDLJJBBOGNQKCW-UHFFFAOYSA-N	313.144	1.802	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	852276037	YEMXEXBQWGHDGM-LBPRGKRZSA-N	324.425	1.061	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NN=Cc2cnnn2C)c1C	751130219	UPWNRXSBCHLPKO-LBPRGKRZSA-N	301.350	1.350	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C)[C@@H]1CCCO1	853374166	BVUDPKJLZSPSIX-HZSPNIEDSA-N	320.393	1.559	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@H]1CCOc2ccccc21	855091638	XWXJOKXSCDPSAA-ZDUSSCGKSA-N	319.430	1.848	50	20	DDGD	
Cc1ccccc1OCC(=O)NNC(=O)OCC(F)(F)F	856026982	UNOVKWFZCPYYOF-UHFFFAOYSA-N	306.240	1.694	50	20	DDGD	
Cc1csc(CCCC(=O)NNC(=O)c2cccc(F)n2)n1	856427060	NGFBSKHQSUWPOP-UHFFFAOYSA-N	322.365	1.770	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccccc1S[C@H](C)CC#N	756490972	WQEOLGKNCHKDPZ-SNVBAGLBSA-N	322.390	1.880	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ncc[nH]2)c1C	854217323	KHJNPDQKHNKKBF-NSHDSACASA-N	302.334	1.255	50	20	DDGD	
CC(C)(C)OC(=O)[C@@]1(C(=O)NNC(=O)c2ccc[nH]2)CC1(C)C	854279113	OFYGSULGFDPTGF-INIZCTEOSA-N	321.377	1.534	50	20	DDGD	
CCc1ccc([C@@H](C)CC(=O)NNC(=O)c2cn[nH]c2)cc1	862472059	TZSDSZOFAWWKCX-NSHDSACASA-N	300.362	1.927	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)c2cn[nH]c2)c(C)c1OC	863153905	HFENGCSIEOKCTH-UHFFFAOYSA-N	302.334	1.889	50	20	DDGD	
CCOc1ccc(C=NNC(=O)Cc2cc(C)[nH]n2)c(O)c1	767396083	LAUUSPLDWWATKY-UHFFFAOYSA-N	302.334	1.515	50	20	DDGD	
Cn1nc2c(c1C(=O)NNc1cnnc3ccccc13)CCCC2	768055848	SGKYSHKWLFMZON-UHFFFAOYSA-N	322.372	1.999	50	20	DDGD	
Cc1cncc(C(=O)NNC(=O)CSc2ccccc2O)c1	764048340	XVLRUXRIJVQORT-UHFFFAOYSA-N	317.370	1.649	50	20	DDGD	
CC(C)(C)Cc1ccccc1C(=O)NNC(=O)N1CCOCC1	931114519	RQYPCZFTSCMTEK-UHFFFAOYSA-N	319.405	1.962	50	20	DDGD	
Cc1cc(NNC(=O)[C@]2(C3CCCC3)CCNC2=O)nc(C)n1	863881898	SLYWGXVIOJNTMW-INIZCTEOSA-N	317.393	1.233	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H]2CCc3cnn(C)c3C2)c1	862479437	NZYJEUMNPPKLON-SNVBAGLBSA-N	318.402	1.356	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)NC2CCCCC2)cc1O	864461959	VGXHWADBHUUABF-UHFFFAOYSA-N	321.377	1.606	50	20	DDGD	
C[C@H](NNC(=O)c1cc(OC(F)F)n(C)n1)C(F)(F)F	862319266	ZTEXNKWYOVMJHO-BYPYZUCNSA-N	302.203	1.207	50	20	DDGD	
COc1ccc(CCC(=O)NN=C2CCN3CCC[C@@H]23)cc1	765571524	LKWJXNMUSOPBOS-INIZCTEOSA-N	301.390	1.968	50	20	DDGD	
CC(C)(C(N)=O)C(=O)NNc1ccccc1OC(F)(F)F	768226482	VWEZZYYZGHULEM-UHFFFAOYSA-N	305.256	1.540	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCOc2cc(F)ccc2C1	860172899	PWUIYNFTIJZTKT-UHFFFAOYSA-N	323.368	1.214	50	20	DDGD	
CC1CCN(C(=O)C(=O)NNc2cc(C#N)cc(Cl)n2)CC1	768158416	UMIAOMWCANQQEU-UHFFFAOYSA-N	321.768	1.308	50	20	DDGD	
CN1CCC[C@@H](CCNS(=O)(=O)CC(C)(C)CCl)C1	867386332	JJFHFDKZWCSKHX-LBPRGKRZSA-N	310.891	1.903	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H](C)CC(F)(F)F	766619470	GZTJWXHEWQRRLG-QMMMGPOBSA-N	319.283	1.980	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@@H](C)C1CC1	767374729	NSLYGRIOPGCCHL-LBPRGKRZSA-N	318.373	1.274	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cccnc2Cl)nc(C)n1	1116702794	CYYXPUNDYLXCQQ-UHFFFAOYSA-N	320.740	1.224	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=O)C2CCCC2)cc1F	764766290	HLVJBLUYYHVDKQ-UHFFFAOYSA-N	307.325	1.735	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)c1coc(C(N)=O)c1	760023983	CRBBFZPHJAIXDL-UHFFFAOYSA-N	310.313	1.992	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@@H](O)c1cccnc1	768290711	YHHBKPCZGPJKKJ-JTQLQIEISA-N	301.331	1.263	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CCOCC(F)F)c1	873777361	NQDGRVSFPNQTKC-UHFFFAOYSA-N	317.361	1.984	50	20	DDGD	
CCCNC(=O)NNC(=O)CC1CCN(CC(F)(F)F)CC1	874213756	DAAAFFRYOQDPSN-UHFFFAOYSA-N	324.347	1.391	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cc2c(cc1Cl)OCO2	878101644	HVJAIXFBBLDZMF-UHFFFAOYSA-N	301.686	1.803	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cnn(-c2cccnc2)c1	771566394	NVBIIWZDERKLEB-UHFFFAOYSA-N	301.350	1.465	50	20	DDGD	
C#CCO[C@@H](C)C(=O)NNC(=S)Nc1cc(C)ccc1F	874946570	NRKCXRWFTGPUIZ-JTQLQIEISA-N	309.366	1.490	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@H]2N(C)CCCC2(C)C)cc[nH]1	875545399	VWIGGEAUQDHROV-CQSZACIVSA-N	305.426	1.558	50	20	DDGD	
Cc1ccc2cccnc2c1S(=O)(=O)NNC(=O)C(C)C	777912788	DLUCJRRISFIOHT-UHFFFAOYSA-N	307.375	1.509	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)C[C@H]1SC(=N)NC1=O	885125694	VVFNDXCXGHEDSX-SECBINFHSA-N	312.782	1.648	50	20	DDGD	
C[C@]1(CC(=O)NNC(=O)c2cccnn2)CC1(Cl)Cl	882057823	AOYKXPGTLNCLLE-JTQLQIEISA-N	303.149	1.212	50	20	DDGD	
COCCN(C)NC(=O)Nc1nc(C)n(-c2ccccc2)n1	888275426	NQIJRSJJTJMSCN-UHFFFAOYSA-N	304.354	1.190	50	20	DDGD	
C[C@H](CBr)COC(=O)c1cccc(C(N)=O)n1	770414500	HEBGDFSDLSOESH-SSDOTTSWSA-N	301.140	1.368	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)N[C@@H]1C[C@H]1Cc1ccccc1	883493630	PJXAWKVOEAZUPS-TZMCWYRMSA-N	311.345	1.052	50	20	DDGD	
CC(C)N(CC(=O)OC(C)(C)C)S(=O)(=O)CCCCl	882030968	ZYPNUXXFANOKIH-UHFFFAOYSA-N	313.847	1.997	50	20	DDGD	
CC#CCNCc1cn(/C(Cl)=C\CBr)nn1	881310246	FVJHSFFCZREYDJ-WMZJFQQLSA-N	303.591	1.823	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1CCCN1Cc1ccccc1	887142116	WTSNNOYHTDMUFB-INIZCTEOSA-N	313.401	1.602	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1[C@H]2CC[C@H]1CC(=O)NC2	787414574	PQAKSDGHOFARPL-OBFMZJQYSA-N	311.341	1.179	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNc1ncccn1)c1ccnn1C	788322765	YJGXGCSRFPDKOU-NSHDSACASA-N	303.370	1.276	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC[C@@H]2C=CCC2)cc1C	883832384	AAQUWNIPTXDWTI-CQSZACIVSA-N	317.389	1.979	50	20	DDGD	
CCc1cncc(C(=O)NNC(=O)COc2ccccc2F)c1	789868920	FPNJOXHIHDHSLE-UHFFFAOYSA-N	317.320	1.623	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)Cc1c(C)nn(C)c1C	788185059	SQIXPRAHOJAVRY-UHFFFAOYSA-N	306.341	1.870	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)CC3COC3)cc2C1	899959669	ZMMAZUYVMFTHAD-VIFPVBQESA-N	308.403	1.670	50	20	DDGD	
CCC1(N)CCN(C(=O)NNC(=O)c2ccc(Cl)cc2)CC1	892916949	KVCJCFCPVQXOSW-UHFFFAOYSA-N	324.812	1.898	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1ccc(O)c([N+](=O)[O-])c1	781804131	BYYXETJTFFQCEF-UHFFFAOYSA-N	309.669	1.501	50	20	DDGD	
CSC1(C(=O)NNC(=O)c2cccc(N(C)C)c2)CCC1	781863916	XYAXRVFENTWAAX-UHFFFAOYSA-N	307.419	1.799	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNc1ccc(C#N)cn1	899662155	OADLPRZQRWEXMZ-SNVBAGLBSA-N	312.377	1.626	50	20	DDGD	
Cc1ccc(C)c(OCCC(=O)NNC(=O)C2CCOCC2)c1	894097561	NSECQTWKFIYKBA-UHFFFAOYSA-N	320.389	1.646	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=C1CCC12CCOCC2	799878891	ZJURGGUKQHOAQE-UHFFFAOYSA-N	321.402	1.541	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1cccc(C)n1)[C@H]1CCCO1	793018048	VDJCNLBUZFAVQO-DGCLKSJQSA-N	306.366	1.292	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1ncc(CN(C)C)s1	794690641	KCBXIDDJYOHOGO-WQLSENKSSA-N	322.434	1.654	50	20	DDGD	
COc1ccc(NNC(=O)Cn2ccc3ccccc3c2=O)nc1	790959726	MCNQETKKMZJYSC-UHFFFAOYSA-N	324.340	1.548	50	20	DDGD	
CCN(Cc1ccccn1)C(=O)NNC(=O)c1cccc(C)n1	793226316	KNTUEEBYBJMHMQ-UHFFFAOYSA-N	313.361	1.662	50	20	DDGD	
COCc1cc(C=NNC(=O)c2ccc3c(c2)OCO3)no1	794859756	BOQKVRDLZZUWEQ-UHFFFAOYSA-N	303.274	1.314	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cccc(O)c1[N+](=O)[O-]	798168906	SEEJUHBTDUFOJZ-UHFFFAOYSA-N	318.245	1.966	50	20	DDGD	
CC1(C)CCc2cc(C=NNC(=O)C[N+](C)(C)C)ccc2O1	1318066005	OMPAZCKGSMOJIK-UHFFFAOYSA-O	304.414	1.947	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@](C)(O)[C@H](C)c1ccccc1	1319319281	AEPGBAKRHJCRHU-IAQYHMDHSA-N	309.435	1.445	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)n1	1321063370	VUKUAMSMMDMTFO-VIFPVBQESA-N	315.377	1.370	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2c[nH]c3ccccc23)ccn1	1323582769	IPBCEMNKVLEYDG-UHFFFAOYSA-N	310.313	1.646	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCc2csc(C)n2)c1	1329711478	YJBLAZJTRMIZPF-UHFFFAOYSA-N	310.404	1.966	50	20	DDGD	
Cc1ccc(Cl)c2c1NC(=O)C2=NNC(=O)C[N+](C)(C)C	1321219145	DZYAQNNIXSHZHJ-UHFFFAOYSA-O	309.777	1.127	50	20	DDGD	
O=C(c1ccc(Br)cc1F)N1CC[C@@H](B(O)O)C1	585070307	YOZQFMYYFUQIMX-SSDOTTSWSA-N	315.935	1.277	50	20	DDGD	
CCOC(=O)c1ncc(C(=O)NNc2ccnc(F)c2)s1	1329136021	APKHGYRDDBUFDB-UHFFFAOYSA-N	310.310	1.611	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Nc1ccc(N(C)C)cc1)n1ccnc1	1327173133	VBQFXVGRTKOCAU-NSHDSACASA-N	316.365	1.363	50	20	DDGD	
O=C(COCc1ccncc1)NNc1cccc(F)c1[N+](=O)[O-]	1326071699	OECRDDKCHZDUOZ-UHFFFAOYSA-N	320.280	1.789	50	20	DDGD	
COCc1nocc1C(=O)NNc1ncccc1C(F)(F)F	1327190630	UZSIZXLICIPIFK-UHFFFAOYSA-N	316.239	1.992	50	20	DDGD	
CC1(C)CCC[C@@H]1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1255110671	JRMPGFVTJIKBQP-LLVKDONJSA-N	304.394	1.876	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)Cc1ccc(Cl)cc1	1336022381	XBAXGXQYKHDLHU-QWHCGFSZSA-N	310.781	1.845	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)N=c1cc[nH]cc1)c1ccc(F)cc1F	1256691044	KIQLNDXKEOECIO-SECBINFHSA-N	320.299	1.738	50	20	DDGD	
Cc1cc(C(=O)N2CC[C@@H](B(O)O)C2)c2ccc(F)cc2n1	1331894763	GOCYMKKGIDGZBR-SNVBAGLBSA-N	302.114	1.371	50	20	DDGD	
COc1ccc2cc(C(=O)NNC(=O)c3cc(C)[nH]n3)ccc2c1	1333548597	IWRDXGBKYYXYEJ-UHFFFAOYSA-N	324.340	1.955	50	20	DDGD	
COC(=O)[C@H]1C[C@H](OC)CCN1C(=O)C1CCC(Cl)CC1	1263774035	LXXXMOVMWGXYNN-FIYWTHMPSA-N	317.813	1.963	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H]1CCN(Cc2ccccc2)C1=O	1341059680	IFYFWMSRENWEKT-ZDUSSCGKSA-N	317.389	1.229	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)OC[C@@]1(C)C[C@@H]1Br	1345267516	XJRIJRNQYXLQGO-VDDIYKPWSA-N	304.184	1.714	50	20	DDGD	
CC1=NO[C@](C)(C(=O)NNC(=O)Cc2ccc(Cl)cc2)C1	1346314288	XXKJEVZTSAHXFZ-AWEZNQCLSA-N	309.753	1.585	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@]2(C)CC(C)=NO2)cc1F	1358288632	UUDCUHCDQBZXPW-CQSZACIVSA-N	309.297	1.610	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccnn2)c(C)n1CC1CC1	1353011329	RULWEZDJUNDKGH-UHFFFAOYSA-N	313.361	1.380	50	20	DDGD	
C[C@@H](CC(=O)O)CC(=O)Nc1cccc(NC(=O)NN(C)C)c1	1609733566	AEYDITAXCCWDOO-SNVBAGLBSA-N	322.365	1.724	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H](CCF)C(=O)O	1600788136	HFIHNAFPIAERAA-SECBINFHSA-N	305.737	1.281	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@H](C)[C@H]1CN(C)CCN1C	1528131524	YDKKEWUAGSSDOX-TZMCWYRMSA-N	323.416	1.395	50	20	DDGD	
Cc1nnc([C@@H](C)NC(=O)NNc2ccc(C(=O)O)cc2F)o1	1600793010	UZFGSCNMQCOSDK-ZCFIWIBFSA-N	323.284	1.603	50	20	DDGD	
O=C(NCC[C@H]1CCOC1)NNc1ccc(F)c(C(=O)O)c1	1601491658	IKHPFCUGBTWGND-VIFPVBQESA-N	311.313	1.577	50	20	DDGD	
O=C(NCc1ccncc1)NNc1cccc(C(=O)O)c1F	1601545605	VYWCLXHSUSRSAB-UHFFFAOYSA-N	304.281	1.745	50	20	DDGD	
Cc1cc(C)c(C(=O)NNc2ncccc2C(=O)O)c(O)n1	1605146480	OQKYFSRWEDMYKS-UHFFFAOYSA-N	302.290	1.254	50	20	DDGD	
Cc1cncc(CCC(=O)NNc2ccc(C(=O)O)cn2)c1	1600628296	BREIHMLVEOVQCJ-UHFFFAOYSA-N	300.318	1.559	50	20	DDGD	
Cc1cccnc1CCNC(=O)NNc1cccc(C(=O)O)c1	1600591157	ILMMCZFGPZXYFK-UHFFFAOYSA-N	314.345	1.957	50	20	DDGD	
O=C(NCc1ncccc1F)NNc1ccc(C(=O)O)c(F)c1	1601551754	CADUSQSKWIVYLE-UHFFFAOYSA-N	322.271	1.884	50	20	DDGD	
CCc1ncncc1C(=O)NNc1cccc(C(=O)O)c1C	1605863643	LROFMOPKDUYUOI-UHFFFAOYSA-N	300.318	1.803	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(F)c1C(=O)O)c1ccnn1C	1603173354	IOFKHEIACLHQMJ-QMMMGPOBSA-N	306.297	1.504	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1c[nH]c(C(=O)O)c1	1608479119	NBHYATJMZRYVED-UHFFFAOYSA-N	312.285	1.269	50	20	DDGD	
CN(C)[C@@H]1CCCC[C@H]1NC(=O)NNc1cccc(C(=O)O)c1	1610098380	DJOJHKNXMLUPQY-ZIAGYGMSSA-N	320.393	1.884	50	20	DDGD	
COC1(C=NNC(=O)[C@H]2CCCO[C@@H]2c2nccn2C)CCC1	1549309353	HWUGFJUDAVSBPC-STQMWFEESA-N	320.393	1.559	50	20	DDGD	
O=C(NN=Cc1cccc2cc[nH]c12)[C@H]1CN2CCC[C@H]2CO1	1549318218	ANXLFNQLWFWAHE-LSDHHAIUSA-N	312.373	1.481	50	20	DDGD	
CC[C@@H]1NCC[C@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	1577308315	LNDNKYSGVIEZAL-ZJUUUORDSA-N	302.300	1.932	50	20	DDGD	
COc1ccc(NNC(=O)c2cnc(C3CCNCC3)o2)cc1	1579230505	OKRUEYCJMKRIHP-UHFFFAOYSA-N	316.361	1.907	50	20	DDGD	
COc1cccc2c1CC[C@@]2(N)C(=O)NN(C)c1ccccc1	1579291328	IBZJCBCNYBPRNR-SFHVURJKSA-N	311.385	1.963	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@@H]2CCc3cc(N)ccc32)cn1	1579958897	LLHJKSOONFATBO-ORDXOSSNSA-N	307.357	1.713	50	20	DDGD	
CC(C)[C@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](F)Cl	1847830101	DOMXUYRKTKBDBJ-XWLWVQCSSA-N	322.833	1.677	50	20	DDGD	
C[C@@H]1C[C@]1(C)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843365464	RXZZMKPKMBQLNC-BREBYQMCSA-N	302.777	1.770	50	20	DDGD	
Cn1ccc(C(=O)N2CC3(CCCN3C(=O)[C@@H](F)Cl)C2)c1	1843363283	XIMPHCWRQQWKJP-LLVKDONJSA-N	313.760	1.377	50	20	DDGD	
C[C@@H](C(=O)O)[C@H](NS(=O)(=O)CCCCl)c1ccccc1	1589467221	BBVKKYUFTUJTRA-PWSUYJOCSA-N	319.810	1.997	50	20	DDGD	
COc1ccccc1C(=O)C(=O)NNc1ccccc1C(=O)O	1599696471	XRXMDDHXBJFBAS-UHFFFAOYSA-N	314.297	1.719	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1nc(Cl)ccc1F	1595262243	VRIVCQBXKFVJCA-UHFFFAOYSA-N	310.672	1.724	50	20	DDGD	
CCCC[C@@H](NNC(=O)[C@@H](C)Oc1ccc(F)cc1)C(=O)O	1595640182	ADRQAPRNTNNNRX-ZWNOBZJWSA-N	312.341	1.857	50	20	DDGD	
CC(C)[C@@H](S)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843362389	RMUOSQOZUTUOGA-ZJUUUORDSA-N	322.833	1.679	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H](C(=O)NNc2ccc(C(=O)O)cn2)C1(C)C	1594122599	PRRJZMWNMOUXLG-MWLCHTKSSA-N	319.361	1.864	50	20	DDGD	
Cc1ccccc1[C@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1592249250	LSJUKDPZCDOFDH-NSHDSACASA-N	323.360	1.817	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1cccc(OCC(=O)O)c1	1776116349	XRMIRWSNGDTDJX-GHXNOFRVSA-N	305.286	1.247	50	20	DDGD	
CN(N=Cc1c(C(=O)O)cnn1C)C(=O)OCc1ccccc1	1776108162	GNDPVVZTCVORLY-UHFFFAOYSA-N	316.317	1.721	50	20	DDGD	
O=C(NN=Cc1cc(Cl)ncc1C(=O)O)c1cccnc1	1776017587	NDPRBVMDWCTAME-UHFFFAOYSA-N	304.693	1.592	50	20	DDGD	
NC(=O)NC1(C(=O)NNc2ccccc2C(F)(F)F)CC1	158813034	GVMRZCUROVDHFD-UHFFFAOYSA-N	302.256	1.349	50	20	DDGD	
C[C@H](NC(=O)C(C)(C)C)C(=O)NNc1cnc2ccccc2n1	163603330	XSNOLYGHKHDQJD-JTQLQIEISA-N	315.377	1.624	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)o1	151621287	UFPBFYXZFHYOPC-IJLUTSLNSA-N	307.350	1.490	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cc(-n2cccn2)ccn1	151852967	BENOBTKTCBYVMM-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNc2ccc(C(N)=O)nn2)s1	154415762	UJOASIPCCRQBPH-UHFFFAOYSA-N	320.378	1.086	50	20	DDGD	
BrC[C@@H](CN1CCN([C@H]2CCOC2)CC1)C1CC1	859207572	SVCWYVJFRUWFIL-KBPBESRZSA-N	317.271	1.814	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NC[C@]1(C)C[C@H]1Br	857401883	MVVNHMCSMQQVQU-PELKAZGASA-N	321.215	1.801	50	20	DDGD	
CO[C@H](C)C(=O)NNC(=O)c1ccc(COc2ccccc2)o1	55411331	SGMOXVYPIIVWIV-LLVKDONJSA-N	318.329	1.655	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc2c(s1)CCCC2	54953598	HZRDTNKEQAQMTF-UHFFFAOYSA-N	311.407	1.607	50	20	DDGD	
CC[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cnn(C)c1	175708403	YLHQAGMNZFGUNC-LBPRGKRZSA-N	320.324	1.178	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2cscn2)cc1C	103216587	ZSIAKQFUCSUJFY-UHFFFAOYSA-N	318.358	1.160	50	20	DDGD	
COc1ccnc(C(=O)NNC(=O)Cn2ccc3ccccc32)c1	116020185	SWOFUZFDGQGORI-UHFFFAOYSA-N	324.340	1.506	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccnc(-n2cccn2)c1	119842837	ULNULXLZODBLHP-UHFFFAOYSA-N	302.338	1.011	50	20	DDGD	
COc1ccnc(C(=O)NNc2nc(-c3ccccc3)no2)c1	116197655	RBFOOXMRCLBSGW-UHFFFAOYSA-N	311.301	1.897	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@@H](c1ccccc1)N1CCCCC1=O	110671013	DWKKXXDEUKBFLX-CQSZACIVSA-N	318.377	1.043	50	20	DDGD	
CCCn1cc(NC(=O)C(=O)NNc2c(F)cccc2F)cn1	119836669	VDHWXROUVLGYQL-UHFFFAOYSA-N	323.303	1.653	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cn1	21921095	FMKAAXIJSYGMTM-SNVBAGLBSA-N	318.308	1.153	50	20	DDGD	
CCCN(CCC)CCCC(=O)NNC(=O)c1cccnc1	68510406	RAHKZKJJLCVZNV-UHFFFAOYSA-N	306.410	1.745	50	20	DDGD	
O=C(NCCc1cccc(O)c1)NNc1ccc(Cl)nn1	66234217	ZCDKVWZRRQPLBB-UHFFFAOYSA-N	307.741	1.704	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCCc1ccccn1	65145543	RFEXYXJXXJNEDK-UHFFFAOYSA-N	316.336	1.336	50	20	DDGD	
CN(NC(=O)c1cccc(OCc2ccccc2C#N)c1)C(N)=O	179693647	BEFTZNUDXKPJIM-UHFFFAOYSA-N	324.340	1.793	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CC[C@H]1CC[C@@H](C)O1	175651943	RGHMHKHGKCOTKG-TZMCWYRMSA-N	320.389	1.733	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCc1cc(OC)cc(OC)c1	64426835	ICMKMETYVWQAPJ-UHFFFAOYSA-N	323.393	1.767	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1C	122508970	MYYOSIZSXIGNNM-JSGCOSHPSA-N	306.362	1.397	50	20	DDGD	
Cn1c(C(=O)NNC(=O)NCc2ccco2)cc2ccccc21	65148564	TVMAYYKQNCSICH-UHFFFAOYSA-N	312.329	1.916	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2ccc3c(c2)OCO3)n1	31023779	JUBSGVMGMQNTNU-UHFFFAOYSA-N	315.333	1.648	50	20	DDGD	
O=C(NC[C@H]1CCN(C2CC2)C1)NNc1cccc([N+](=O)[O-])c1	79457289	DDPQJRWFIXBNNA-LLVKDONJSA-N	319.365	1.705	50	20	DDGD	
CN1CCN(S(=O)(=O)CCCCCl)c2cnccc21	154617172	JLVJBLGJSJWFHF-UHFFFAOYSA-N	303.815	1.687	50	20	DDGD	
Cc1cnc([C@@H](C)NC(=O)NNC(=O)c2ccccc2O)s1	79082037	FQSGHLFHEARJEE-SECBINFHSA-N	320.374	1.862	50	20	DDGD	
Cc1cc(OCC(=O)NNC(=O)c2cccn2C)ccc1Cl	70696150	LLGDMPLSRIOCIU-UHFFFAOYSA-N	321.764	1.827	50	20	DDGD	
CC(=O)[C@@H]1CC(C(=O)NNc2cccnn2)=NN1c1ccccc1	77032672	AEMDWXQYMBZZSC-AWEZNQCLSA-N	324.344	1.144	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)c1ccc(F)cn1	182618607	STPRDUQHKIESQY-UHFFFAOYSA-N	312.304	1.637	50	20	DDGD	
CCC(=O)N1CC[C@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)C1	183589360	WAUPVTQGBGDAAO-CTXBLAANSA-N	315.348	1.860	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@H](C)C(=O)NCc1ccccc1	139232884	YJAPXDNUKHXZMP-POKNLVKOSA-N	301.346	1.251	50	20	DDGD	
COc1ccccc1NC(=O)C(=O)NNc1ccnc(F)c1	190297282	XPJUYJWWVFBSIX-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
O=C(C[C@H]1CCCCO1)NNC(=O)Cn1ccc2ccccc21	87252288	YACWKGWDZOYJCK-CQSZACIVSA-N	315.373	1.748	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NNC(=O)N(C)C)cc1	194921213	HTIYAJWFVKGESD-FMIVXFBMSA-N	302.334	1.295	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)c2ccc(C)o2)c(F)c1	84461485	MMQABWFMWODMIJ-UHFFFAOYSA-N	312.322	1.659	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)c1n[nH]cc1[N+](=O)[O-]	132301960	SGMXMEBMZSJKRB-UHFFFAOYSA-N	317.305	1.102	50	20	DDGD	
CN(C[C@H](O)C(F)(F)F)C(=O)/C(C#N)=C\c1ccc(O)cc1	194835379	BFIYLDXWHSUNJU-GYGFLDJKSA-N	314.263	1.681	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ncccn1)N1C[C@H](C)O[C@H](C)C1	195712984	HSQJUIPLMQJUHG-FRRDWIJNSA-N	307.398	1.054	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)C1CCC(O)CC1	194289510	LVPQQDZZNZXRRO-UHFFFAOYSA-N	302.334	1.731	50	20	DDGD	
Cn1c(=NNC(=O)c2c(O)cccc2O)sc2ccccc21	255574783	QGVJQVYBUNAJTA-UHFFFAOYSA-N	315.354	1.897	50	20	DDGD	
COc1ccccc1C1(C(=O)NNC(=O)c2cc(C)n[nH]2)CC1	269025417	KTJFCYLQUGHGEC-UHFFFAOYSA-N	314.345	1.220	50	20	DDGD	
CCc1nnsc1C(=O)NNC(=O)C(C)(C)c1ccccc1	264628052	KXWVRSQLZZGQIQ-UHFFFAOYSA-N	318.402	1.839	50	20	DDGD	
CC(C)C[C@@H](CCO)CNC(=O)NNC(=O)c1ccccc1O	268008088	OQJPUJJSCUAADO-GFCCVEGCSA-N	323.393	1.381	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCc2ccc(O)cc2)n1	263881927	MWWKMQRZRGXUBO-UHFFFAOYSA-N	301.350	1.668	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)[C@H]1CSCCS1	267478904	RFSWRKWGZXCBFY-SECBINFHSA-N	323.403	1.423	50	20	DDGD	
C[C@@H]1CN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C[C@@H](C(N)=O)O1	268425968	HTPOLNIRKAWICD-IVEOZOBTSA-N	316.317	1.034	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCC(C)(C)CCCO)cc1	271834226	SLEADCWHBGEGAP-UHFFFAOYSA-N	321.421	1.992	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CN(C)C)cc1OC(C)C	278723839	RWJLIHVXADHYRA-UHFFFAOYSA-N	308.382	1.497	50	20	DDGD	
COc1cccc(NNC(=O)CNC(=O)C2CCCCC2)n1	272492214	FEAVAGHGXXYQOD-UHFFFAOYSA-N	306.366	1.230	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C[C@@H]2CCC(=O)[C@@H]2C)c1	279612962	JKIIRLXQCHXNFU-OLZOCXBDSA-N	318.373	1.527	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CCCCS2)cc1	273108591	QWBURGLHYKZBCE-ZDUSSCGKSA-N	307.419	1.840	50	20	DDGD	
CC(C)(C)[S@](=O)CCNC(=O)NNc1ncccc1F	286789232	RXRCUTFYZRCQSB-HXUWFJFHSA-N	302.375	1.394	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCCC(=O)N2)c(Cl)c1	283818913	YVODFSPMFLVXHC-NSHDSACASA-N	324.768	1.470	50	20	DDGD	
CSSCCNS(=O)(=O)c1ccc(F)cc1C#N	284806533	ZDUAGYLDRMABIF-UHFFFAOYSA-N	306.409	1.987	50	20	DDGD	
COC(=O)C(C)(C)CCNC(=O)NNc1ccc(OC)cn1	286810306	JOEYLBVGNVRKFT-UHFFFAOYSA-N	310.354	1.306	50	20	DDGD	
CCc1occc1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	280336405	GLCYPUUEPUFARQ-AWEZNQCLSA-N	316.313	1.443	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)COc1ccc(C)cc1	284870862	FDCQNZAOVZKZRF-UHFFFAOYSA-N	301.346	1.726	50	20	DDGD	
CSSCCNC(=O)c1ccc(CS(C)(=O)=O)o1	284115183	OKGYFSWFDAYEGP-UHFFFAOYSA-N	309.434	1.565	50	20	DDGD	
Cc1noc(C)c1C(C)(C)C(=O)NNc1ncnc2nc[nH]c12	281490267	IRIHXRVXNUDLGY-UHFFFAOYSA-N	315.337	1.379	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CCc2cscn2)cc1	802061435	PQARZPDKYCRDEB-UHFFFAOYSA-N	320.374	1.937	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@H]1CCCO1)c1ccccc1Cl	294485591	BVFPOHFPFNJLKV-LBPRGKRZSA-N	310.781	1.944	50	20	DDGD	
O=C(NN=C1CCC[C@@H]1CCCF)N[C@H]1CCS(=O)(=O)C1	800810940	AGUNMNDAHXGGQC-MNOVXSKESA-N	319.402	1.379	50	20	DDGD	
Cc1cnn([C@H]2CCN(C(=O)NNC(=O)c3ccccc3)C2)c1	291065323	GJEXZCUSSWJKHO-AWEZNQCLSA-N	313.361	1.493	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc2c(c1)CCC2)[C@@H]1CCCCO1	296678950	HZDHNARHASZMRG-AWEZNQCLSA-N	324.402	1.054	50	20	DDGD	
C[C@@H]1CC(=O)N[C@H](C(=O)NNc2cccc3c2CCCC3)C1	293220841	BTIZOFLRWLHAMY-NHYWBVRUSA-N	301.390	1.923	50	20	DDGD	
Cc1cnccc1CC(=O)NNc1ccc(-n2ccnc2)nn1	804952780	SPBOYIYFCNDGND-UHFFFAOYSA-N	309.333	1.052	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC(C(=O)NNc2ccncn2)CC1	295448153	KWXNXBWXBNOWPE-UHFFFAOYSA-N	321.381	1.567	50	20	DDGD	
COc1cc(C(=O)NNC(=O)NC(C)C)c([N+](=O)[O-])cc1F	294794478	TUZCSUAAUMNEPY-UHFFFAOYSA-N	314.273	1.095	50	20	DDGD	
CCn1nccc1C=NNC(=O)Nc1ccc2c(c1)OCO2	814992566	MCXVKSOUPYKPBG-UHFFFAOYSA-N	301.306	1.787	50	20	DDGD	
C[C@H]1C(=NNC(=O)N2CCOCC2)CC[C@H](C(=O)O)C1(C)C	814820871	DPVNYNOKMDXLHN-WDEREUQCSA-N	311.382	1.541	50	20	DDGD	
CC(C)(C#N)[C@@H]1CCCC1=NNC(=O)CNC(=O)c1ccco1	814826940	NYZJKBSHIWRXAX-LLVKDONJSA-N	316.361	1.831	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNc1nc(O)c2ccccc2n1	812533682	IQMPQCOFVKZBLN-NXEZZACHSA-N	304.350	1.697	50	20	DDGD	
Cc1ccccc1CC(=O)NN=Cc1c(Cl)nc(N)n1C	814873719	OEDQRVWEDMELEG-UHFFFAOYSA-N	305.769	1.657	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccc2ccc(Cl)cc2n1	816770135	LBELQFMSAVKVLB-UHFFFAOYSA-N	302.725	1.774	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1ccc(O)c(O)c1O	814950852	ZZWQCUOJMUSCFZ-UHFFFAOYSA-N	318.285	1.038	50	20	DDGD	
C[C@@](O)(C(=O)NNc1ncc(F)cn1)c1ccc(Cl)cc1	815881084	BYRTWASWUXZYCF-ZDUSSCGKSA-N	310.716	1.620	50	20	DDGD	
COCCN1[C@H]2CC[C@H]1CC(=NNC(=O)NCc1ccco1)C2	814817138	DPTACBLGXIWNLZ-KBPBESRZSA-N	320.393	1.708	50	20	DDGD	
CC(C)(C)n1ccnc1SCC(=O)NNC(=O)CC1CC1	819141497	ZMQMUPHAVAEDTH-UHFFFAOYSA-N	310.423	1.678	50	20	DDGD	
C[C@@H]1Oc2ccccc2N(CCC(=O)NN(C)C2CC2)C1=O	819643834	QKQUKXRYGYRLNV-NSHDSACASA-N	303.362	1.316	50	20	DDGD	
O=C(NN=Cc1c[nH]nc1-c1ccc(F)cc1)c1cnccn1	818287865	TUJUKFCFGKUHDE-UHFFFAOYSA-N	310.292	1.770	50	20	DDGD	
COc1cccc(NNC(=O)[C@H](O)c2ccc(Cl)cc2)n1	813511523	LRQOFSKXLODDFE-CYBMUJFWSA-N	307.737	1.920	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@H]2CCCCCC(=O)C2)n1	813515158	UNYMUSVUGKATLN-QMMMGPOBSA-N	311.773	1.695	50	20	DDGD	
CO[C@@H]1COC[C@H]1NC(=O)NNc1ccc(OC(F)F)cc1	827919303	GMVPATYHVOLACF-GHMZBOCLSA-N	317.292	1.328	50	20	DDGD	
Cc1cccc2c1CN(C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)CC2	827273624	IJMUCGKQNCADGH-TZMCWYRMSA-N	317.389	1.519	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CCOCC(F)(F)C(F)F	495834176	BAWVIIBFILYEBR-UHFFFAOYSA-N	318.267	1.849	50	20	DDGD	
CCN(CCO)NC(=O)c1csc(-c2ccccc2OC)n1	823852314	CUCGVCYZGFXKQJ-UHFFFAOYSA-N	321.402	1.778	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(C(F)(F)F)nn1C	822781880	LNKYWMYIWSDGOS-UHFFFAOYSA-N	307.276	1.183	50	20	DDGD	
COC(OC)C(=O)NNc1cc(C#N)ccc1Br	824489796	CIJIUNNALFSRHD-UHFFFAOYSA-N	314.139	1.383	50	20	DDGD	
CCOc1cc(C(=O)NNC(=O)NCCc2cccs2)on1	822785815	DSZSFQFAZKNCCR-UHFFFAOYSA-N	324.362	1.322	50	20	DDGD	
CCN(CCO)NC(=O)c1oc2ccccc2c1CN(C)C	823860126	KWHKXBLJFBEDTB-UHFFFAOYSA-N	305.378	1.453	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc(C)n(C)c1C	726075958	QVLHFCLMVNAPMJ-UHFFFAOYSA-N	312.439	1.130	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCc1ccc(-c2ccccc2)[nH]1	823970956	NINUMFYPFWVZLP-CYBMUJFWSA-N	301.390	1.958	50	20	DDGD	
C[C@H]1SCC[C@@H]1NC(=O)NNC(=O)c1cccc(C#N)c1	825895571	OUKXEJPWAWBDSI-SKDRFNHKSA-N	304.375	1.396	50	20	DDGD	
Cc1cc(C(=O)NN(C)[C@H](C)CO)cc(C)c1OC(F)F	823959454	IQIIJWGZXUODQT-SNVBAGLBSA-N	302.321	1.862	50	20	DDGD	
Cc1sccc1C(=O)NNC(=O)CNC(=O)OC(C)(C)C	496901302	JETKTNZAHRWEMG-UHFFFAOYSA-N	313.379	1.342	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)Nc2ccc(C(=O)O)cc2)cnn1C	490784136	XKNMVLUEKCJRSU-GHXNOFRVSA-N	310.313	1.972	50	20	DDGD	
Cc1ccccc1OCCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C	825747880	BCEAIXYAGCXJLJ-STQMWFEESA-N	321.377	1.129	50	20	DDGD	
CCOc1ccc([C@H](C)NCc2ccc(B(O)O)cc2F)cc1	585016854	BKLHYUFIRRWJKS-LBPRGKRZSA-N	317.169	1.755	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)COc1ccc(OC)cc1)C1CC1	822572426	LRINUYGFTYHACT-AWEZNQCLSA-N	321.377	1.593	50	20	DDGD	
COC(=O)N1CCC([C@@H](C)NC(=O)NNc2ccccn2)CC1	492530016	JEBOVSHIVJKSBC-LLVKDONJSA-N	321.381	1.575	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC(OC[C@H]2CCCO2)CC1	827035545	NLIFPMHOWNJIGC-HFBDAHEESA-N	308.378	1.617	50	20	DDGD	
CC(C)(C(=O)NNc1nccc(N2CCOCC2)n1)C1CCC1	826966968	YJNXQXLABPFJKN-UHFFFAOYSA-N	319.409	1.583	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSc1ncccc1C(=O)O	826135099	XJMDHQQODSNZEC-UHFFFAOYSA-N	311.363	1.065	50	20	DDGD	
COCCn1nc(C(=O)NNc2ccccc2Cl)ccc1=O	732679092	PCLGYEYFZYYPAN-UHFFFAOYSA-N	322.752	1.300	50	20	DDGD	
COc1ccc(CN2CC[C@@H](B(O)O)C2)cc1OC(F)F	585077777	YCZVDNQDOFLGBK-SNVBAGLBSA-N	301.098	1.345	50	20	DDGD	
CC(C)CO[C@H]1CC(=NNC(=O)C(=O)N2CCCC2)C1(C)C	737435051	SCMBJULTAXRMAT-ZDUSSCGKSA-N	309.410	1.552	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@H]1CCCCc2ccccc21	584911395	HROUYLJFLWAENN-KRWDZBQOSA-N	309.174	1.815	50	20	DDGD	
Cc1nn(CCC(=O)O)c(C)c1C=NNC(=O)NCC1CC1	738922542	KMQLAPWKEZQUPK-UHFFFAOYSA-N	307.354	1.018	50	20	DDGD	
Cn1cc(C=NNC(=O)CNC(=O)OC(C)(C)C)c(C2CC2)n1	901216128	WXDIFUJUPDLCTJ-UHFFFAOYSA-N	321.381	1.272	50	20	DDGD	
COC(=O)[C@H]1C[C@H](NC(=O)NNc2ncnc3ccsc23)C1	824170932	HYWIVQGQCZDWHR-ZKCHVHJHSA-N	321.362	1.269	50	20	DDGD	
CC[C@@H](C(=O)Nc1cccc(B(O)O)c1)c1c(C)noc1C	584909842	JBNVSCKMJVVKIR-CYBMUJFWSA-N	302.139	1.104	50	20	DDGD	
O=C(Nc1ccccc1)[C@H]1CSCN1S(=O)(=O)CCl	829902493	HKMJTYXLKPEWDZ-SNVBAGLBSA-N	320.823	1.526	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(-c2ccccc2)c(C)nc1O	823865128	KADVNJKRBPNPSU-UHFFFAOYSA-N	315.373	1.722	50	20	DDGD	
COc1cccc(NNC(=O)/C(C#N)=C/c2ccc(O)cc2)n1	491136359	VHYIKMKKVBUPPY-FMIVXFBMSA-N	310.313	1.846	50	20	DDGD	
O=C(CCc1nc2ccccc2o1)NNC(=O)[C@@H]1CCCCO1	833262918	ZONIBLIGXKSIMT-ZDUSSCGKSA-N	317.345	1.477	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	908031694	DMKQJGHOHXGLLK-PKFCDNJMSA-N	322.336	1.871	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC(C)(F)F)c(OC)c1	836286663	SNRYUNBHCGMGFT-UHFFFAOYSA-N	317.292	1.303	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1n[nH]cc1Br	738472424	IDBHUPIEQSUCJA-UHFFFAOYSA-N	318.175	1.049	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)COc1ccccc1	732304233	UHOAVUICYDQLIE-UHFFFAOYSA-N	320.370	1.612	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)nc1O	734862911	NZFGBFCABXUAPB-HTQZYQBOSA-N	321.287	1.411	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2c3ccccc3C[C@H]2F)c(F)c1	585048269	MKCPRUPEUQJAHJ-CVEARBPZSA-N	303.117	1.231	50	20	DDGD	
Cc1ccc([C@@H](CNCc2ccc(B(O)O)cc2)N(C)C)cc1	585019091	BILDICNVZLJPHZ-GOSISDBHSA-N	312.222	1.067	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1CC[C@@H](c2ccccc2F)C1	585039000	LXJHLQPEPHWPGQ-UKRRQHHQSA-N	313.181	1.931	50	20	DDGD	
CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCB(O)O	585062872	OXTJFDMTDVZDLN-SNVBAGLBSA-N	303.089	1.402	50	20	DDGD	
Cc1nc(CCC(=O)NNC(=O)c2cccc(C#N)c2)cs1	733105182	TUAWQJAZEZDICG-UHFFFAOYSA-N	314.370	1.717	50	20	DDGD	
CCO[C@H](CC)C(=O)NNC(=O)CNc1ccccc1OC	839483081	VAPPYENZAINFLX-GFCCVEGCSA-N	309.366	1.070	50	20	DDGD	
CCCN1C[C@H](CNC(=O)[C@@]2(C)C[C@H]2Br)CC1=O	911174442	WYGNBODPXONZBT-CWSCBRNRSA-N	317.227	1.535	50	20	DDGD	
CCCCn1cc(CNC(=O)NNc2ccncn2)c(C)n1	836386018	SWJPFKNOPDUYCS-UHFFFAOYSA-N	303.370	1.608	50	20	DDGD	
CC(F)(F)CNC(=O)NNC(=O)COCc1ccccc1	836316375	BHZBJUFLAASKMF-UHFFFAOYSA-N	301.293	1.189	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCSc3c(F)cccc32)cc1	585018356	VILLPKLWSPPMTE-OAHLLOKOSA-N	317.194	1.832	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCCn1ccc(C(F)(F)F)n1	834436602	QRVPMSVIVRXXIO-HJWRWDBZSA-N	302.256	1.462	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@](C)(O)C2CCC2)cc1F	837052465	AIFKXSDPWPZDRC-OAHLLOKOSA-N	310.325	1.607	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NCC(C)(C)CC#N	838754199	WBVSHZSDKPYZRV-UHFFFAOYSA-N	302.378	1.808	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCSC[C@@H]2C)cc1	738342487	YJXVTRMVZGOMFA-LBPRGKRZSA-N	307.419	1.193	50	20	DDGD	
CC[C@@](C)(CNC(=O)NNC(=O)c1c[nH]c2ccccc12)OC	836578517	VAEDRIIZTQQFDU-INIZCTEOSA-N	318.377	1.927	50	20	DDGD	
CSc1cc(F)ccc1NC(=O)NNC(=O)CN(C)C	832166365	KLKGMQJKAJODLE-UHFFFAOYSA-N	300.359	1.262	50	20	DDGD	
Cc1ccncc1C(=O)NNC(=O)c1c(C)nc2ccccn12	742036115	FOFTYSKYAGHBBZ-UHFFFAOYSA-N	309.329	1.421	50	20	DDGD	
CC(C)c1ccc(C(=O)NNc2ncnc3[nH]cnc23)c(O)c1	740746622	WFEJSNOAGFVOLD-UHFFFAOYSA-N	312.333	1.939	50	20	DDGD	
CC(=O)N[C@H](CCC(C)C)C(=O)NNc1ccc([N+](=O)[O-])cc1	830757692	SXSVUWFGWNOPCS-CQSZACIVSA-N	322.365	1.979	50	20	DDGD	
Cc1nn(C(C)(C)C)c(C)c1C(=O)NNC(=O)CC(F)(F)F	918367522	XHEZONOKJARWTG-UHFFFAOYSA-N	320.315	1.968	50	20	DDGD	
C[C@@]1(C(=O)NC[C@@H](O)CN2CCCCC2)C[C@@H]1Br	911271676	GWEMZRPKPWCLAI-NTZNESFSSA-N	319.243	1.123	50	20	DDGD	
COc1ccc(-c2cc(C(=O)NN(C)C[C@H](C)O)n[nH]2)cc1	910168052	ZEJNFQTYBMSUDW-JTQLQIEISA-N	304.350	1.043	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccc(OC2CCCC2)cc1	841035991	MKQMGBBDPMFWEW-UHFFFAOYSA-N	320.393	1.900	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H](C)Cc1c(C)nn(C)c1C	742054174	XSMYWOCQUQTXJW-SNVBAGLBSA-N	309.414	1.346	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)[C@H](C)Oc2ccc(F)cc2)[C@H]1OC	841612131	ZBHARLBVJRYPFC-COLVAYQJSA-N	324.352	1.889	50	20	DDGD	
C[C@H](CCCCN)NC(=O)NNC(=O)c1c[nH]c2ccccc12	841997458	XFUNQZHMSITKRY-LLVKDONJSA-N	317.393	1.629	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H](C)Cc1cncc2ccccc12	910147048	IUXMHLLZQHFLDS-OLZOCXBDSA-N	301.390	1.757	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cnc(OCC2CC2)c(Cl)c1	910152922	WZKROAWKYYDYAJ-SECBINFHSA-N	313.785	1.481	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cn(C)nc1-c1ccccc1	842561769	MSGYEIFJUQECJL-SWLSCSKDSA-N	312.373	1.962	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H](C)CN2CCCCCC2)n(C)n1	841615264	WQMRZDPKQLNHLK-ZDUSSCGKSA-N	305.426	1.691	50	20	DDGD	
CN(Cc1nnc2ccccn12)S(=O)(=O)CCCCl	919543137	HGTVTALXNZRORV-UHFFFAOYSA-N	302.787	1.120	50	20	DDGD	
CC(=NNC(=O)c1ccc(O)c(O)c1)c1cc2n(n1)CCC2	841636824	OUQNHWCLNLBWLA-UHFFFAOYSA-N	300.318	1.395	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CSCc1cccc(Cl)c1	910181527	UIMMBWCLNJVCEB-JTQLQIEISA-N	302.827	1.917	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccccc1OC1CCC1	843650585	DZQRKADFPIKPII-AAEUAGOBSA-N	318.373	1.804	50	20	DDGD	
CS[C@H]1CC[C@@H](NC(=O)NNC(=O)c2ccccc2O)C1	745897620	RBHWABXUMINDNQ-ZJUUUORDSA-N	309.391	1.620	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(=O)c2ccc(Cl)cc2o1	910147125	PGLWACNRJYXVON-MRVPVSSYSA-N	310.737	1.404	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1ccc(OCC2CC2)cc1	745996071	LGEJKMOMJKNEOX-UHFFFAOYSA-N	319.361	1.162	50	20	DDGD	
N#CSCCCNS(=O)(=O)c1cccc2c1COC2=O	916973478	ZZCPXQNMTTWOIR-UHFFFAOYSA-N	312.372	1.240	50	20	DDGD	
O=C(NNC(=S)NC[C@@H]1CCOC1)c1c[nH]c2ccccc12	749649595	XLRNKNPTIRCPGT-JTQLQIEISA-N	318.402	1.313	50	20	DDGD	
CC(C)(CCNC(=O)NNc1ccc(F)cc1)S(C)(=O)=O	840430734	ZCKVEWZPFULCHB-UHFFFAOYSA-N	317.386	1.665	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2C[C@H](C)n3ncnc32)cc1	841615902	DAVUUMTYYZDMOU-JTQLQIEISA-N	312.333	1.010	50	20	DDGD	
O=C(NNC(=O)C1[C@H]2CCC[C@H]12)c1cnn(-c2ccccc2)c1	748851718	JVGNPYLFANWDJF-KBPBESRZSA-N	310.357	1.679	50	20	DDGD	
O=C(NNS(=O)(=O)CCC1CC1)c1cccc(Cl)n1	849312815	OLKRDRTXVJNJOL-UHFFFAOYSA-N	303.771	1.099	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)NC1CCN(CC(F)F)CC1	747310841	XWDABFXJBIXZJS-UHFFFAOYSA-N	318.368	1.237	50	20	DDGD	
CC(CCc1ccc(O)cc1)=NNC(=O)CN1CCCC1=O	916359239	QHFKYMVMUFKMSX-UHFFFAOYSA-N	303.362	1.439	50	20	DDGD	
CCCCNc1ccccc1C(=O)NNC(=O)N1CCOCC1	847403505	XPLSAVUAWYPZGG-UHFFFAOYSA-N	320.393	1.585	50	20	DDGD	
CC(CCc1ccc2c(c1)OCO2)=NNC(=O)C(=O)NC1CC1	744823947	KETREDADVJKNRS-UHFFFAOYSA-N	317.345	1.119	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1coc2ccccc12	747751272	JOMIBJAEKSLILT-NSHDSACASA-N	320.370	1.708	50	20	DDGD	
CNC(=O)NNC(=O)CCSc1ccc(OC)c(OC)c1	740817855	BHOGVWWIRRUZCX-UHFFFAOYSA-N	313.379	1.146	50	20	DDGD	
Cc1ccoc1C=NNC(=O)c1nn(C)c(=O)c2ccccc12	743427608	YMMLZKOVGVPPEM-UHFFFAOYSA-N	310.313	1.599	50	20	DDGD	
O=C(NNc1cccc(F)n1)N[C@H]1CCN(CC(F)F)C1	841596361	ZTPUWUXAJONUGR-QMMMGPOBSA-N	303.288	1.186	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccc(F)cc1	843646662	JYOYRYTUOYZXQE-RHWCBERRSA-N	306.337	1.801	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccc(CC(=O)OC)cc1)N(CC)CC	846374950	WQTOWVAEOXVRNS-HNNXBMFYSA-N	321.421	1.966	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C(C)c1ccn(C)n1	841607401	SRSNVRXTFHIRSJ-UHFFFAOYSA-N	302.334	1.348	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2cccc(OC)n2)CCCC1	843852094	UKZZXRPKECTZED-UHFFFAOYSA-N	307.350	1.657	50	20	DDGD	
COc1ccc(NCC(=O)NN=C(C)c2cnn(C)c2)cc1	920827089	UQIWVXVHJIERHC-UHFFFAOYSA-N	301.350	1.381	50	20	DDGD	
CCOc1cccc(NC(=S)NNC(=O)[C@H]2CCCCO2)c1	840775508	QAMWNQHHSDJKQT-CYBMUJFWSA-N	323.418	1.972	50	20	DDGD	
CSSCCN1C(=O)N[C@@H](Cc2ccccc2O)C1=O	925343094	LLKFQFUUVDIIBV-JTQLQIEISA-N	312.416	1.866	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H]2CCO[C@H](C)C2)cc1	846377583	GOYAJNZARQDWDO-DGCLKSJQSA-N	306.362	1.660	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCCc2ccccc21	843640392	CHDSBUZMTLRJCQ-NJZAAPMLSA-N	302.374	1.679	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCSCc1ccccc1	843654378	HNZVAVZHMGWNOH-TZMCWYRMSA-N	322.430	1.882	50	20	DDGD	
CCc1onc(C)c1NC(=O)NNC(=O)c1cccc(C#N)c1	757783421	ZAJHUZQUSMDZCL-UHFFFAOYSA-N	313.317	1.884	50	20	DDGD	
C[S@@](=O)c1ccc(C(=O)NNC(=O)OCC(F)(F)F)cc1	856025270	QKAUJMSOFAVVNW-OAQYLSRUSA-N	324.280	1.357	50	20	DDGD	
CC[C@@H]1COCC1=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1	853280598	HJBYICPKLRXYSJ-ZOBORPQBSA-N	311.426	1.260	50	20	DDGD	
CC[C@H](C(=O)NN(C)CCOC)N(C)C(=O)OC(C)(C)C	854409567	IIWJXARBWNDMAI-LLVKDONJSA-N	303.403	1.241	50	20	DDGD	
CCN1CCC(NC(=O)NC[C@@]2(C)C[C@@H]2Br)CC1	856831512	GUFSHERWMMTCRH-WCQYABFASA-N	318.259	1.943	50	20	DDGD	
C[C@@H]1CN(C2CC2)CC1=NNC(=O)CNC(=O)c1cccs1	755890607	WXGOMVATUCWNOD-SNVBAGLBSA-N	320.418	1.064	50	20	DDGD	
CCC[C@H](CNC(=O)NNC(=O)N=c1cc[nH]cc1)OCC	858682507	NBXTUVBGRHHHJG-GFCCVEGCSA-N	309.370	1.044	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1)[C@H]1CCC(=O)N1	858105638	KYXQVUGIRCWWEA-LDYMZIIASA-N	309.753	1.016	50	20	DDGD	
CSCCCCCNC(=O)NNC(=O)c1cccc(F)n1	852261941	WOGNPLQJFTZTSX-UHFFFAOYSA-N	314.386	1.698	50	20	DDGD	
CNC(=O)CCCCC(=O)NC[C@]1(C)C[C@@H]1Br	857390946	JESCILKSPSDGSR-CABZTGNLSA-N	305.216	1.583	50	20	DDGD	
O=C(NNc1ncccn1)[C@@H]1CCN(C(=O)c2ccccc2)C1	858320273	RLUYYEKHUBQPBF-CYBMUJFWSA-N	311.345	1.082	50	20	DDGD	
Cc1cccc(NC(=O)NNC(=O)C(=O)Nc2ccccn2)c1	758498028	VCWQIRBDYXEMPI-UHFFFAOYSA-N	313.317	1.181	50	20	DDGD	
C[C@]1(CNC(=O)N2C[C@@H]3C[C@@]3(CO)C2)C[C@H]1Br	856956184	VHWWOQZPWDJAGJ-SPFNVWMYSA-N	303.200	1.184	50	20	DDGD	
COc1cccc(NNC(=O)c2ncoc2-c2ccon2)n1	857482389	BRROGZLSLURJAO-UHFFFAOYSA-N	301.262	1.490	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)CBr)c2ccccc2CN1	850588742	NQCRPWYFEXCXEC-VIFPVBQESA-N	319.224	1.667	50	20	DDGD	
C=CC[C@@H]1CCCN(C(=O)NNC(=O)Cc2cccnc2)C1	852059109	VKORESWLZNXNLR-CYBMUJFWSA-N	302.378	1.653	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1F	756497305	HBXBOCWWWGVWIO-UHFFFAOYSA-N	306.253	1.147	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCCNc1ncccn1	751491951	UAVFVXXLGKEHQL-RAXLEYEMSA-N	311.320	1.751	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=C2CN(C)C[C@H]2C)n1	752161356	WCNSZFJDMRMINK-SECBINFHSA-N	307.423	1.239	50	20	DDGD	
CC1(C)C[C@H](CNC(=O)NNc2ncc(Cl)cn2)CCO1	856913621	FJMGFNQBVQUZSY-SECBINFHSA-N	313.789	1.961	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C=NNC(=O)c1cnccn1	853287159	RSVRJJWOODCRPU-WCQYABFASA-N	314.349	1.094	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=Cc1cccc(O)c1O	853409691	LLWJVYNKLGIBKA-UHFFFAOYSA-N	321.377	1.490	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc(CO)c(F)c2)n1	857541622	XVIIISIULJMQAE-UHFFFAOYSA-N	310.716	1.827	50	20	DDGD	
O=C(Cc1cc(F)ccc1F)NNC(=O)OCC(F)(F)F	856021224	KUVHLBGKIARIJB-UHFFFAOYSA-N	312.194	1.827	50	20	DDGD	
CC1(C(=O)NNC(=O)C2CC2)CCN(Cc2ccccc2)CC1	753768674	FWTYNPIFVWCZEV-UHFFFAOYSA-N	315.417	1.846	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1	852554978	GVPUPOOVEJVXMR-ZDUSSCGKSA-N	320.349	1.134	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=S)NCC2CCC2)o1	855087092	DZDQKOJGKHPWHA-UHFFFAOYSA-N	310.423	1.845	50	20	DDGD	
CCC1(C(=O)NNC(=O)CNC(=O)c2cccs2)CCC1	751266142	GMEOQKQMMVEAJV-UHFFFAOYSA-N	309.391	1.206	50	20	DDGD	
CO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(C#N)c2)C1(C)C	753425875	QMMCDVNYKYECKS-CHWSQXEVSA-N	316.361	1.316	50	20	DDGD	
C#Cc1cccc(NC(=O)NNC(=O)c2ccc3c(c2)OCO3)c1	755604891	VEENNFQCYLWTAR-UHFFFAOYSA-N	323.308	1.863	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cnc(C2(C)OCCO2)s1	858523233	OVWLKVLXJSATLH-UHFFFAOYSA-N	313.379	1.170	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)C1CCCC1)CC1(C)OCCO1	758855942	GTHBOUGUDUSESW-NSHDSACASA-N	313.398	1.296	50	20	DDGD	
O=C(NCC(Cl)Cl)[C@@H]1CCN(Cc2ccccc2)C1=O	935967420	FPTBZBWOPQNPHS-NSHDSACASA-N	315.200	1.955	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1C[C@H]2CC[C@@H](O)C[C@H]2C1	855335451	OWDLSYJMGFMUGG-GCBOQBLMSA-N	312.369	1.919	50	20	DDGD	
O=C1Nc2ccccc2C[C@@H]1NS(=O)(=O)CCCCCl	859340177	NTVIJHWERDZCRR-LBPRGKRZSA-N	316.810	1.488	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)C(F)(F)c2nccs2)c1	756694888	WYGBSEQVGYHUDI-UHFFFAOYSA-N	322.296	1.568	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)c2cc[nH]c2C)c1	750527831	WGHAYDGHWJZTRM-UHFFFAOYSA-N	315.329	1.250	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)/C=C\c1ccc[nH]1	855834073	XDKMTMCNUUNRGR-HJWRWDBZSA-N	320.393	1.118	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H](C)c2cnn(C)c2)c1	858245484	JUBPTQOEWGYGRS-SECBINFHSA-N	307.379	1.495	50	20	DDGD	
CC(=O)CCCC(=O)NNC(=S)NCCc1cccs1	753078298	OGSRRXXXSRTLGS-UHFFFAOYSA-N	313.448	1.545	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@]1(c2ccccc2)CCCO1	930732853	BMTDLSBUHQMXHT-INIZCTEOSA-N	321.377	1.059	50	20	DDGD	
CCCc1cc(NC(=O)NNC(=O)CC(F)(F)F)n(C)n1	757890990	JNBZJXQKNANONM-UHFFFAOYSA-N	307.276	1.478	50	20	DDGD	
CS(=O)(=O)CC1(CNC(=O)NNc2ccc(F)cc2)CC1	753023281	MVJVTRPPJLVDDP-UHFFFAOYSA-N	315.370	1.277	50	20	DDGD	
CC[C@H](CN1CCCC1)NC(=O)NNC(=O)c1ccccc1O	758848949	SGJMWUYHHTWMPT-GFCCVEGCSA-N	320.393	1.211	50	20	DDGD	
CC(C)(C)NCCC(=O)NNc1ccc(S(C)(=O)=O)cc1	935020644	RUDSJRGQAGSBDF-UHFFFAOYSA-N	313.423	1.311	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)Nc2ccccc2C(F)F)N1	861183879	VITUULYDRPVVCJ-SECBINFHSA-N	312.276	1.056	50	20	DDGD	
Cc1cc(=NNC(=O)c2ccnc(N3CCCCC3)n2)cc[nH]1	862511549	TZYCITZOIWRFCL-UHFFFAOYSA-N	312.377	1.349	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)CC(C)(C)CCl)CC[S@](=O)C1	867193597	QCBPUKHEMDGENL-BTDLBPIBSA-N	315.888	1.282	50	20	DDGD	
CCCn1cc(/C=C(/C#N)C(=O)NCCCOC(C)C)nn1	865217983	PEEGZIVLEGPDOX-LCYFTJDESA-N	305.382	1.526	50	20	DDGD	
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN[C@H](C)C(F)(F)F	862312646	QJRSNDUKBGNPDL-SFYZADRCSA-N	313.320	1.861	50	20	DDGD	
O=C(NNC(=O)c1ccc(-c2cc[nH]n2)s1)c1ccccn1	761386876	RDERIHXTJTYITD-UHFFFAOYSA-N	313.342	1.608	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)CCOC(C)(C)C)cc1	767905857	QDDGOKJGVFILGI-UHFFFAOYSA-N	321.421	1.503	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1	765328001	SJEPGIDSTNXXAP-UONOGXRCSA-N	305.378	1.893	50	20	DDGD	
C[C@](NC(=O)NNC(=O)c1cn[nH]c1)(C1CC1)C(F)(F)F	933562875	GJBAWVBLKBKICA-JTQLQIEISA-N	305.260	1.085	50	20	DDGD	
O=C(NNc1ccncn1)C1CC(O)(c2cccc(Cl)c2)C1	861874257	WIIBDWKBJHRAPB-UHFFFAOYSA-N	318.764	1.871	50	20	DDGD	
COC(=O)[C@](C)(NS(=O)(=O)CC(C)(C)CCl)C1CC1	866814267	OGTQRBJWCIOLKC-GFCCVEGCSA-N	311.831	1.513	50	20	DDGD	
COC(=O)COCCNC(=O)/C(C#N)=C\c1ccc(F)cc1	862952353	IGJBCHHIHRTYPQ-WQLSENKSSA-N	306.293	1.038	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C	860605703	NEWCIKZSWQZYRH-MIJXAVMKSA-N	306.362	1.976	50	20	DDGD	
CC(=O)Nc1cccc(CC(=O)NN[C@@H](C)C(F)(F)F)c1	862322843	MHOSGRTXBJFDGX-QMMMGPOBSA-N	303.284	1.759	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2c(C)nc3scc(C)n23)n[nH]1	767404198	YCIBVFDJGNELFA-UHFFFAOYSA-N	316.390	1.737	50	20	DDGD	
CCOc1ccc(NNC(=O)Cn2cc(C3CC3)nn2)cc1	1117734352	UQOZWKNXYZYAHW-UHFFFAOYSA-N	301.350	1.698	50	20	DDGD	
Cc1cccc2c1CC[C@@H]2NC(=O)NNC(=O)C1CCNCC1	1118026941	LNDKUXVXYFCCIK-HNNXBMFYSA-N	316.405	1.312	50	20	DDGD	
CCOc1cccc(NC(=O)NNC(=O)c2ccccc2O)n1	765325192	XAILFKGKNJXDFR-UHFFFAOYSA-N	316.317	1.652	50	20	DDGD	
CCn1nc(C(C)C)cc1C(=O)NNC(=O)OCC(F)(F)F	1118791088	WKFSPKARTIRNHZ-UHFFFAOYSA-N	322.287	1.960	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCc1cnn(-c2ccccc2)c1	875041116	FKHJMVIHINZIEB-UHFFFAOYSA-N	317.349	1.327	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(=O)c2ccc(Cl)s2)n[nH]1	760485019	KTANAAJTHBQLIZ-UHFFFAOYSA-N	312.738	1.077	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)c1nc2ccccc2s1	874913602	FVBQKCUGQMRGNT-JTQLQIEISA-N	307.375	1.872	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CN2CCCC2)c(C)c1	873759216	KPWGBCRMRCUIIY-UHFFFAOYSA-N	306.435	1.717	50	20	DDGD	
CN(C)CC1(C(=O)NNC(=O)c2cccc3ncccc23)CC1	874438026	FXRUMOULEMNSLT-UHFFFAOYSA-N	312.373	1.338	50	20	DDGD	
CC(C)n1cc2c(n1)[C@H](NCc1ccc(B(O)O)cc1)CCC2	877376576	UHTJPGYFFJJETC-MRXNPFEDSA-N	313.210	1.311	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)Cn2ccc3ccccc32)CCO1	776320768	FGVCRNCXFAXGFL-OCCSQVGLSA-N	315.373	1.604	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1	875027796	HQFODROUFQWYEK-GMXVVIOVSA-N	305.382	1.713	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCc2conc2C)cc1	875952913	GSTDADJWPYGOAB-UHFFFAOYSA-N	302.334	1.690	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1C[C@H]1c1sccc1C	772216251	XHSHPGUWRGFQQM-AXFHLTTASA-N	324.402	1.649	50	20	DDGD	
CC(=O)c1ccc(CC(=O)NNc2nncc(N)c2Cl)cc1	1116304021	CVUIAWZBBNGQQO-UHFFFAOYSA-N	319.752	1.601	50	20	DDGD	
O=C(NNC(=O)c1c[nH]nc1-c1ccncc1)Nc1ccccc1	1116947907	STUUMFRTTRSZRR-UHFFFAOYSA-N	322.328	1.938	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1CNC(=O)NNC(=O)C1CCNCC1	1118029478	YQCFZHKTBOXYRS-TZMCWYRMSA-N	310.442	1.533	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1c(C)nn(C)c1Cl	874126107	GCWBWOWLEXOGTF-UHFFFAOYSA-N	312.786	1.493	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2nn(C)cc2C)cc1C	873762352	WDMRHTNTLBICHF-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2c(C)nn(C)c2C)c1	873774899	XMNKWDPHQFJARO-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cc[nH]1	875071973	OOJDWHFMLCKQRS-TZMCWYRMSA-N	305.426	1.558	50	20	DDGD	
COC1(c2nccn2C)CN(C(=O)C2CCC(Cl)CC2)C1	1123973120	XVMAZOUHJPIRMW-UHFFFAOYSA-N	311.813	1.902	50	20	DDGD	
COCCO[C@H]1COCC[C@@H]1NC(=O)NNc1ccccc1	777279095	NAXMIGFJNYIKLY-KBPBESRZSA-N	309.366	1.133	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H](F)Cc2ccccc2)nc1	778399672	QPSLPYFQNRTVLW-ZDUSSCGKSA-N	317.320	1.892	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCCSC#N)cc(C#N)n1C	773584465	AJQXBKLLADJKAT-AWNIVKPZSA-N	313.386	1.833	50	20	DDGD	
O=C(CN1CSCC1=O)NNc1ccc(Cl)cc1F	885109734	BRKGXTZYGAAYGI-UHFFFAOYSA-N	303.746	1.455	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2cccc(F)c2C(=O)OC)CC1	773641373	NSUVYFFYXACAJL-UHFFFAOYSA-N	324.308	1.399	50	20	DDGD	
COc1cc(NNC(=O)NCCS(C)(=O)=O)ccc1Cl	788596064	CTXBGOXATQRETO-UHFFFAOYSA-N	321.786	1.019	50	20	DDGD	
COc1cc(C(C)=NNC(=O)Cc2cn3ccccc3n2)ccn1	782242648	IUCWFHHXTOMPTM-UHFFFAOYSA-N	323.356	1.821	50	20	DDGD	
COc1cc(C(C)=NNC(=O)Cn2nc(C)cc2C)ccn1	782167365	SBKRHKSBJSEKOP-UHFFFAOYSA-N	301.350	1.444	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C1(C)COC(C)(C)OC1	899996903	XWELHMKXJSCYEN-UHFFFAOYSA-N	303.428	1.069	50	20	DDGD	
CCCCCC[C@@H](CC)C(=O)NNC(=O)N1CCN(C)CC1	788167218	YPHPZXAJNMTGBO-CQSZACIVSA-N	312.458	1.971	50	20	DDGD	
Cn1cnc(CNC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)c1	890109287	JBPSKYRSKIZVEM-XHVZSJERSA-N	312.211	1.990	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@H](C)C[C@@H]1[C@H](C)O	785545111	DISFLIQIVCBSFH-XDQVBPFNSA-N	313.442	1.050	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C[C@H]1NC(=O)c2ccccc21	899999682	SONWOSUEROPEFX-LLVKDONJSA-N	320.418	1.155	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1scc2c1OCCO2	899999375	KLFPCBZEQKFGDG-UHFFFAOYSA-N	315.420	1.427	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cccc([C@H]2CCOC2)c1	791262485	WKJDAUAEMCOWNK-AWEZNQCLSA-N	323.356	1.990	50	20	DDGD	
CNC(=O)NNS(=O)(=O)c1c(Cl)cc(F)cc1Cl	797818718	STVFFXLKASJPSO-UHFFFAOYSA-N	316.141	1.255	50	20	DDGD	
C=C(CBr)CN1CCO[C@@H](C(=O)OC(C)(C)C)C1	791474692	WJPOXKUUALEGJF-LLVKDONJSA-N	320.227	1.980	50	20	DDGD	
CCc1ccnc(CNC(=O)NNC(=O)c2ccc(C#N)cc2)c1	798060741	XOQGJGNPEUQYLD-UHFFFAOYSA-N	323.356	1.660	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N2CCC3(CCO3)CC2)c1	799915276	AOPBHSWBLSEPDT-UHFFFAOYSA-N	314.345	1.168	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2ccc(-n3cncn3)c(F)c2)n1	794572042	OLDANYBJPGDJHB-UHFFFAOYSA-N	324.319	1.874	50	20	DDGD	
N#C/C(=C/c1cn(Cc2cccnc2)nn1)C(=O)[C@H]1CCCOC1	794954957	XFKNDXIJSHLGMR-FQNPWXFGSA-N	323.356	1.624	50	20	DDGD	
CN(C)c1cc(C(=O)NN=C2CC(=O)N3CCCC[C@H]23)ccn1	799479945	KYBSHEGSWGHAKR-CYBMUJFWSA-N	315.377	1.018	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=C2C(=O)OC[C@@H]2C)cc1	794881849	ZIGFTASJNTVZPN-QWRGUYRKSA-N	320.345	1.518	50	20	DDGD	
COc1cc2c(cc1/C=C(\C#N)S(=O)(=O)N(C)C)OCO2	794956975	LQHWXVIWSNGVDD-ONNFQVAWSA-N	310.331	1.180	50	20	DDGD	
CN(N=Cc1c(Br)n[nH]c1Br)C(N)=O	793035035	VAHPRZLNTNFDMF-UHFFFAOYSA-N	324.964	1.279	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(C#N)o2)c1	794213109	ZFTRCUCBPQBPFS-UHFFFAOYSA-N	313.313	1.608	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCC(=O)Nc3ccccc32)CC1	790178781	KRNCUHFNVHFRPD-UHFFFAOYSA-N	315.377	1.080	50	20	DDGD	
CC(C)c1ncc(CN(C)S(=O)(=O)CBr)cn1	799822602	CVGVWIMBOYDHQN-UHFFFAOYSA-N	322.228	1.714	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)O1	1319246471	TVIDWTOJJYAPNS-BXKDBHETSA-N	306.366	1.007	50	20	DDGD	
CN(C)C(=O)NN=Cc1c(Br)cc(C(=O)O)n1C	1318558729	OEJAXZQZYNXIPS-UHFFFAOYSA-N	317.143	1.091	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2cccc3ncccc23)nn1C	1319979036	NSSPVLDEDTWQFR-UHFFFAOYSA-N	323.356	1.606	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1cnoc1C1CC1	1319433842	XOBNYIWXAMFILH-UHFFFAOYSA-N	321.358	1.712	50	20	DDGD	
CCN(CC)Cc1cc(C(C)=NNC(=O)CCO)ccc1O	1322321122	PXIYQKRVTXWFMP-UHFFFAOYSA-N	307.394	1.457	50	20	DDGD	
CC[C@H](C)CC[C@H](O)CC(=O)NNc1nncc(N)c1Cl	1326836208	RVZDBWSCYCASPW-IUCAKERBSA-N	315.805	1.733	50	20	DDGD	
CC(=NNC(=O)c1cncn1-c1ccccc1)c1ccnn1C	1326393327	GEJRMCXGJWYUGA-UHFFFAOYSA-N	308.345	1.760	50	20	DDGD	
CO[C@@](C)(CNC(=O)NNc1nncc(N)c1Cl)C1CC1	1324054113	OWLHJTUQDSYHOK-LBPRGKRZSA-N	314.777	1.153	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NNC(=S)NCC1CCC1	1338378511	OCSMQCUNIOIBKE-GFCCVEGCSA-N	312.483	1.404	50	20	DDGD	
CC[C@H](OC)C(=O)NNC(=O)c1cncn1-c1ccccc1	1251326483	VDXHFYBDVSHFNE-ZDUSSCGKSA-N	302.334	1.058	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CSCc1cscn1	1334627255	LISHSOWTMBZQLV-UHFFFAOYSA-N	304.466	1.280	50	20	DDGD	
COc1nccc(C(=O)OC[C@]2(C)C[C@@H]2Br)n1	1345267429	WYLSKIISVDUHIW-KWQFWETISA-N	301.140	1.816	50	20	DDGD	
CCn1nc(C)c(C(=O)OC[C@]2(C)C[C@@H]2Br)n1	1344046459	APRRSXUUHZVKTJ-KWQFWETISA-N	302.172	1.937	50	20	DDGD	
Cc1nc(N(C)C)sc1C(=O)NNC(=O)Nc1ccccc1	1340042588	GYXKJMHTMJLGOR-UHFFFAOYSA-N	319.390	1.984	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)NCCCC(F)F	1521201614	CEGWSLBCVQEYBC-UHFFFAOYSA-N	315.320	1.831	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2c[nH]nc2-c2ccncc2)nc1	1602383677	XAUJZDTUEYULNT-UHFFFAOYSA-N	324.300	1.322	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1csc(C(=O)O)n1	1608479509	KKLVXPZJNMPUCW-UHFFFAOYSA-N	319.211	1.273	50	20	DDGD	
Cc1c(NNC(=O)c2cccc(C(N)=O)c2)cccc1C(=O)O	1600054441	ZFNIRGVFHXAQGB-UHFFFAOYSA-N	313.313	1.549	50	20	DDGD	
Cc1oc(C(=O)O)cc1C(=O)NNc1cnc2ccccc2n1	1608034372	WRCKIJMSISENJM-UHFFFAOYSA-N	312.285	1.986	50	20	DDGD	
O=C(O)[C@]1(C(=O)NN=c2cc[nH]cc2Cl)C[C@H]2CC[C@H]1C2	1605935410	IEQZAHJZIJBXQP-UINNMSKDSA-N	309.753	1.491	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1cnccc1-c1nn[nH]n1	1604717732	LNVUSMMZJOCYGB-UHFFFAOYSA-N	301.137	1.137	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)cc1	1605296326	FABBXFLXNHJFDU-NWDGAFQWSA-N	319.361	1.055	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)c1ccnc(C2CC2)n1	1610701415	NXJCGCVVUJCURS-UHFFFAOYSA-N	316.292	1.948	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C=NNC(=O)c1ccon1	1553287888	ORVKRQMPTKPVJO-ZYHUDNBSSA-N	303.322	1.292	50	20	DDGD	
CC(C)[C@@H](C(=O)O)C(=O)NNC(=O)c1cc2c(s1)CCC2	1588808555	RUWXOCGPYRZORG-LLVKDONJSA-N	310.375	1.355	50	20	DDGD	
CCc1c(C(=O)NNc2ccc(C(=O)O)cc2OC)cnn1C	1597410575	AIHZSSPZSQMYOW-UHFFFAOYSA-N	318.333	1.446	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1cccc(CC(=O)O)c1	1594551363	BLIYENIVKRFDSE-UHFFFAOYSA-N	316.317	1.119	50	20	DDGD	
Cc1c(C(=O)O)cc(C=NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)n1C	1599984551	PYJLJEOSIGDFMT-RAIGVLPGSA-N	305.334	1.049	50	20	DDGD	
CCC(=NNC(=O)c1ncccn1)c1cc(C(=O)O)ccc1F	1776081275	HLAJNRFYJWOHDZ-UHFFFAOYSA-N	316.292	1.858	50	20	DDGD	
CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](F)Cl)COC1	1796804732	XXMJCWCZFBJYRN-VLEAKVRGSA-N	318.776	1.196	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(F)cc2Cl)n1	12666071	LAMVEBRCPUWBQW-UHFFFAOYSA-N	324.743	1.754	50	20	DDGD	
COc1cn(-c2ccccc2)nc1C(=O)NNC(=O)C1CC1	15663277	UZJCAPHCCMJQSL-UHFFFAOYSA-N	300.318	1.052	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1csc([C@@H]2CCCO2)n1	160224723	XQQQJHUQBBOKMM-NSHDSACASA-N	320.374	1.408	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1ccnn1CC1CC1	160718025	HCQHJJKGWXAEHA-UHFFFAOYSA-N	300.322	1.155	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@@H]1CCC[C@H]2OCC[C@H]12	151684197	IVUJTKNJRCFTFZ-OPRDCNLKSA-N	311.773	1.714	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2cc3c([nH]c2=O)CCCC3)c1	152478089	KICKRYJUZMVGHO-UHFFFAOYSA-N	308.341	1.882	50	20	DDGD	
N#Cc1cccc(NNC(=O)CCc2nc3cccnc3[nH]2)c1	152609386	WORGMPZNAXOKEA-UHFFFAOYSA-N	306.329	1.905	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2csc([C@H]3CCCO3)n2)[nH]n1	154978923	OJNOVRNQIBXPAW-SNVBAGLBSA-N	321.362	1.101	50	20	DDGD	
COCc1ccccc1C(=O)NNC(=O)c1cccc(C#N)c1	103402149	DPXOGHMRRCYPJC-UHFFFAOYSA-N	309.325	1.779	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1c[nH]c2cccc(C)c12	103547309	JZWBMJZBBOZNDC-UHFFFAOYSA-N	302.403	1.700	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)c1ccccc1)Cn1cccn1	54576471	KMSZEXOKZFFNBM-GFCCVEGCSA-N	301.350	1.163	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H](c2ccccc2)C1	103518571	BVAGCCYDHNMQBY-INIZCTEOSA-N	324.384	1.854	50	20	DDGD	
CC(C)N(CCNC(=O)NNC(=O)Cc1cccnc1)C(C)C	103595229	NOUARIGXBMRIGF-UHFFFAOYSA-N	321.425	1.073	50	20	DDGD	
CS[C@@H]1CCC[C@@H](NC(=O)NNC(=O)c2cnn(C)c2)C1	118077696	NEBWJWCFXDYGOK-GHMZBOCLSA-N	311.411	1.038	50	20	DDGD	
N#CCOc1ccc(CC(=O)NNC(=O)c2ccccc2)cc1	110157706	MIWVIOLPULPASM-UHFFFAOYSA-N	309.325	1.593	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CC(C)(C)C)c(C(F)(F)F)n1	103197488	HFYITYXMBBFNAQ-UHFFFAOYSA-N	306.288	1.636	50	20	DDGD	
Cc1ccc2c(CC(=O)NNC(=O)Cc3cccnc3)c[nH]c2c1	103423230	JJOMAEMDYGBZCE-UHFFFAOYSA-N	322.368	1.804	50	20	DDGD	
C[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)COc1ccccc1C#N	105312197	PXXUEYKXQPWJNZ-YPMHNXCESA-N	316.361	1.456	50	20	DDGD	
N#CC1(C(=O)NNC(=O)c2ccc3ccccc3n2)CCOCC1	109138073	BPQQKNKJLVFQPG-UHFFFAOYSA-N	324.340	1.316	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccc(F)nc2)cc1C	118753456	VYWFTPPAKGFUMW-UHFFFAOYSA-N	317.320	1.678	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NCc1ccoc1	172363046	UPZFTDORCOIYGG-UHFFFAOYSA-N	303.318	1.327	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H]1CCN(C)C(=O)C1)c1ccccc1	110337178	XRFAAGOOIPYPHI-KBPBESRZSA-N	317.389	1.196	50	20	DDGD	
Cc1oc(-c2ccsc2)nc1CC(=O)NNC(=O)N(C)C	171029830	ONZFGGSIZFJLCT-UHFFFAOYSA-N	308.363	1.556	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C[C@@H](C)SC)cc1	119381104	QMLOPLDUDMTVKI-LLVKDONJSA-N	310.419	1.917	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1C[C@@H]1C1CC1	177622366	UHFGEZFZYDIYAL-CUOATXAZSA-N	306.337	1.787	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1csc([N+](=O)[O-])c1	170929930	LVRXXAXAEZNRRB-UHFFFAOYSA-N	320.330	1.529	50	20	DDGD	
CCS[C@H](C(=O)NNC(=O)Cn1nc(C)cc1C)C(C)C	66592212	GZWRRXGZZGAIFA-ZDUSSCGKSA-N	312.439	1.425	50	20	DDGD	
CC(C)C[C@H](C(=O)NNC(=O)C(C)(C)C)N1CCCCC1=O	121036483	CTRHKJDXFUQWAO-GFCCVEGCSA-N	311.426	1.607	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C2(O)CCSCC2)c1	124446214	YQRNBYPROOVGSA-UHFFFAOYSA-N	300.355	1.536	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNC(=O)CCCc2ccccc2)c[nH]1	73331064	MGJDNLBQSOHWHA-UHFFFAOYSA-N	313.357	1.467	50	20	DDGD	
COC1CCC(CC(=O)NNC(=O)Cc2cccnc2)CC1	129756733	DYVNDQVCPTWGAN-UHFFFAOYSA-N	305.378	1.367	50	20	DDGD	
C[C@H]1CN(C)c2ccccc2N(CC(=O)NNC(=O)C2CC2)C1	128770259	SJNWJPGGKASPMK-LBPRGKRZSA-N	316.405	1.136	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(C)n(Cc2ccccn2)c1C	122904783	GUGYPRRWOYEXPO-UHFFFAOYSA-N	315.377	1.512	50	20	DDGD	
C[C@@H](C1CC1)n1cc(NC(=O)NNC(=O)c2cccnc2)cn1	189705588	LSLZYSVOKSQTKH-JTQLQIEISA-N	314.349	1.716	50	20	DDGD	
COC1CCC(CC(=O)NNC(=O)Cn2nc(C)cc2C)CC1	122909823	KPRZBAUWQPHTQF-UHFFFAOYSA-N	322.409	1.243	50	20	DDGD	
O=C(COc1cccc2ccccc12)NNC(=O)Cc1cc[nH]n1	186116452	SLMTUYYMQIDIGX-UHFFFAOYSA-N	324.340	1.332	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)[C@H]3CCCO3)[nH]n2)cc1	32260124	GWZJDAWPBPUSBG-CQSZACIVSA-N	314.345	1.325	50	20	DDGD	
Cc1cccc(NNC(=O)Cn2c(=O)n(C)c3ccccc32)c1	73326072	QWMGPRMTOHUOAN-UHFFFAOYSA-N	310.357	1.792	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)COCc2ccccc2)nc1	184262881	NCRUQOOACMKBHW-UHFFFAOYSA-N	314.345	1.760	50	20	DDGD	
COCCCOCC(=O)NNc1cccc(C(F)(F)F)n1	182553075	ZLTYZLZZXMIJAO-UHFFFAOYSA-N	307.272	1.597	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)oc1C	131021988	CAXSSMHWYLTGEH-CQSZACIVSA-N	316.313	1.497	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Nc1nccs1	42755565	JLNPDAJFARSQJG-QMMMGPOBSA-N	324.337	1.902	50	20	DDGD	
CN1C[C@@H](C(=O)NNc2ncc(Cl)cc2Cl)CC1=O	132739457	QRGOQUGYVWFNSZ-LURJTMIESA-N	303.149	1.310	50	20	DDGD	
COc1nccnc1NNC(=O)c1cnn(CC(C)C)c1C	131766339	PVCZJPWMWKJCEI-UHFFFAOYSA-N	304.354	1.403	50	20	DDGD	
Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NN)c2)cc1	193440485	ZKPRGSAZUDSABH-UHFFFAOYSA-N	319.386	1.424	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=S)NCC(F)(F)F)cc1	49519378	NISMTIARNBLXIR-UHFFFAOYSA-N	302.281	1.229	50	20	DDGD	
CN(C)C(=O)NNC(=O)Cc1cccc(Br)c1	194608957	XREAZVMTXFIAKU-UHFFFAOYSA-N	300.156	1.294	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCNC(=O)CC(C)C)cc1	130053398	GFJQRJOXFHXDKE-UHFFFAOYSA-N	319.405	1.562	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccnc(OCc2ccccc2)c1	194938770	XZQKARXZRPTFDU-UHFFFAOYSA-N	314.345	1.577	50	20	DDGD	
CCN(CCNC(=O)NNc1ncccn1)c1ccccc1C	46866572	JEIDFSSZPJPIGP-UHFFFAOYSA-N	314.393	1.938	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)[C@@H]1C[C@]12CCCc1ccccc12	190076260	KTQHXJXMCXVYLM-GUYCJALGSA-N	302.374	1.199	50	20	DDGD	
CC(C)C(CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1)C(C)C	194377752	XWBGSZXLQAZREL-CQSZACIVSA-N	319.471	1.296	50	20	DDGD	
CC(C)(C)n1nccc1NC(=O)NNC(=O)Cc1ccncc1	190464209	RLERBYPXBFCKIW-UHFFFAOYSA-N	316.365	1.429	50	20	DDGD	
CNC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1	98116727	UGBDZZGPFWRYBN-VHSXEESVSA-N	317.267	1.649	50	20	DDGD	
CC(C)(C)OC(=O)CNC(=O)c1ccc(S(=O)(=O)F)cc1	149614539	CJCNHCAIUBNSIV-UHFFFAOYSA-N	317.338	1.416	50	20	DDGD	
O=C(C[C@@H]1CSCCN1)NNc1ncnc2ccsc12	238060027	IJPYYBKZMRFLRF-MRVPVSSYSA-N	309.420	1.230	50	20	DDGD	
NC(=O)c1cc(NC(=O)NNC(=O)C2CCC2)ccc1Cl	264783824	YWSHNXAVECYVMF-UHFFFAOYSA-N	310.741	1.392	50	20	DDGD	
Cc1cc(F)cc2c(O)c(C(=O)NNC(=O)C3CCC3)cnc12	269286356	SKGAVRSCYHOKIA-UHFFFAOYSA-N	317.320	1.949	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)n1	266918911	BPPZWFODNJAHNF-JLLWLGSASA-N	321.381	1.233	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@H]1CCCOC1	264594576	YRGAJQNVQLJNND-LLVKDONJSA-N	307.350	1.066	50	20	DDGD	
C[C@H](CNC(=O)NN(C)c1ccccc1)CN1CCOCC1	267859878	AASAECAMRBERMK-CQSZACIVSA-N	306.410	1.305	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H]2CCO[C@H](C(C)C)C2)n1	272575361	QEBUWUIYEYOCPX-RYUDHWBXSA-N	308.382	1.920	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)C2(CC)CCOCC2)n1	272383587	WSHIXOISHWBBRT-UHFFFAOYSA-N	321.425	1.973	50	20	DDGD	
O=C(CNCC(F)(F)F)NNc1ccc(C(F)(F)F)cn1	274723112	FUUABPKZJJLYJL-UHFFFAOYSA-N	316.205	1.695	50	20	DDGD	
COC(=O)NNC(=O)c1ccccc1COC1CCOCC1	274300793	QLHOLKOCHMFDSW-UHFFFAOYSA-N	308.334	1.383	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@H](C)c1ncn(C)n1	275443447	GCYNKHHUKGWOJU-SNVBAGLBSA-N	317.353	1.220	50	20	DDGD	
CC(C)=CCNC(=O)NNC(=O)c1ccc2c(c1)OCCO2	276670051	YSMGNCIFPOBXTE-UHFFFAOYSA-N	305.334	1.368	50	20	DDGD	
CS(=O)(=O)c1ccccc1NC(=O)NNC(=O)CC1CC1	273300225	FIOOBIGEFXYEGE-UHFFFAOYSA-N	311.363	1.043	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccccc1OCCC(N)=O	271400200	MNNJVEQCGOGPMI-UHFFFAOYSA-N	322.365	1.140	50	20	DDGD	
Cc1cc(C)c(CC(=O)NNc2nccn(C)c2=O)c(C)c1	271629948	JLFAHPJRCAGNFC-UHFFFAOYSA-N	300.362	1.391	50	20	DDGD	
C[C@H](NC(=O)C1CCCC1)C(=O)NNc1nnc(C2CC2)s1	273635449	SCPACPQNXNWNKK-QMMMGPOBSA-N	323.422	1.554	50	20	DDGD	
Cc1ccc(-n2nc(C(=O)NNC(=O)NC(C)C)cc2C)cc1	271930237	IJEHTKBPBMPILT-UHFFFAOYSA-N	315.377	1.842	50	20	DDGD	
Cc1ncc2n1CC[C@H](C(=O)NNc1ccc(Cl)nn1)C2	377926764	YJYRGGMRNIENTA-VIFPVBQESA-N	306.757	1.341	50	20	DDGD	
COCCCOCC(=O)NNc1cccc(F)c1[N+](=O)[O-]	280374960	DBZAOHDBTAFZNY-UHFFFAOYSA-N	301.274	1.230	50	20	DDGD	
COC(=O)NNC(=O)[C@@H]1C[C@]12CCN(C(=O)OC(C)(C)C)C2	372899951	BKKSZIUIEXRECA-XPTSAGLGSA-N	313.354	1.021	50	20	DDGD	
C[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)CCCCCl	375620480	XEKRXJGWYGQHEA-STQMWFEESA-N	308.875	1.894	50	20	DDGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)C(=O)NCCF	282696209	FIBBVXHFUDELIP-UVIKPUKZSA-N	307.300	1.323	50	20	DDGD	
CC(C)(C)OC(=O)NC(C)(C)C(=O)NNc1ncccc1F	286016208	PIGVUFZIMNQJIR-UHFFFAOYSA-N	312.345	1.967	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCn2cncc2C1)NC1CCCCC1	376527356	HITGJNFZASFECB-NSHDSACASA-N	305.382	1.109	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)CCc2ccccc2O)C1	286684573	MVOXRCNCEZJCRO-UHFFFAOYSA-N	306.362	1.287	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)N[C@H]1CCO[C@@H]1c1nccn1C	287783836	KQJQGVNGDCFFDM-AAEUAGOBSA-N	323.397	1.017	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H]2C(=O)OC)cc1	285010154	HJSPMMIRYPURDQ-CHWSQXEVSA-N	304.346	1.209	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](Cc1ccccc1)OC	294984394	PNJMYRHCYRMRAR-LBPRGKRZSA-N	302.334	1.186	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)CCc2ccccc2)ccn1	806666381	MGMGBJMAKGTEPT-UHFFFAOYSA-N	314.345	1.876	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)COCc2ncc(C)o2)n1	806932634	IFAYSSMCHXLHHB-UHFFFAOYSA-N	311.729	1.395	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)COc1ccccc1O)C(C)(F)F	293540202	XSOWBDZFEVSNFV-QMMMGPOBSA-N	302.277	1.210	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1cccc2c1CNC2=O	806756669	ZTFGHAYJYIPRHI-UHFFFAOYSA-N	304.350	1.519	50	20	DDGD	
CCCN(CC(=O)NNC(=O)c1ccc(F)cc1)CC(C)C	298316841	YXZAYOQFLCALDY-UHFFFAOYSA-N	309.385	1.955	50	20	DDGD	
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NNc1ccncn1	296867907	MYJFFPXUCCVTTN-VIFPVBQESA-N	310.358	1.016	50	20	DDGD	
O=C(NCCOC1CCCCC1)NNC(=O)c1ccccc1O	298990289	RNANNTDNKMOQEW-UHFFFAOYSA-N	321.377	1.686	50	20	DDGD	
O=C(NC[C@@H]1COc2ccccc21)NNC(=O)[C@H]1CCCCO1	297050119	KWWCMMUNIFCJPW-BXUZGUMPSA-N	319.361	1.062	50	20	DDGD	
Cc1nc(C(C)C)ccc1C(=O)NNC(=O)c1cnn(C)c1	293639371	HBZUZVQTLPLXCY-UHFFFAOYSA-N	301.350	1.322	50	20	DDGD	
O=C(NNC(=O)[C@H](F)C(F)(F)F)c1c[nH]c2ccccc12	809983199	FPXYENNECOUUSR-VIFPVBQESA-N	303.215	1.829	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNC(=O)COc1ccc(F)cc1	299263201	MWSAZNPRSMYWSF-NSHDSACASA-N	312.341	1.557	50	20	DDGD	
O=C(Cn1ccc(C(F)(F)F)n1)NNc1nc2ccccc2[nH]1	807174134	VKMCKELUCJPTMI-UHFFFAOYSA-N	324.266	1.922	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H](O)c1ccc(Cl)cc1F	813425384	HQPPNNYLCIRACY-JTQLQIEISA-N	303.721	1.253	50	20	DDGD	
CC(=NNC(=O)c1nn(-c2ccccc2)cc1O)c1c[nH]nc1C	814757598	JXTXEQLXLUSFLQ-UHFFFAOYSA-N	324.344	1.763	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccnc(C(F)(F)F)c1	817079450	RNCDWFWJECMAHX-UHFFFAOYSA-N	301.203	1.786	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NN=C(C)c2c[nH]nc2C)c1	814881959	CPXSOBBZQCMBPS-UHFFFAOYSA-N	300.322	1.226	50	20	DDGD	
Cc1cc(C)c(C(=O)O)cc1C=NNC(=O)C(=O)N1CCCC1	814824230	NRXVMMQOJMGSHN-UHFFFAOYSA-N	317.345	1.074	50	20	DDGD	
O=C(Cc1nsc2ccccc12)NNC(=O)CC(F)(F)F	819845729	OJPFNVNNSYJDSD-UHFFFAOYSA-N	317.292	1.939	50	20	DDGD	
Cc1c(C(=O)NNc2nc[nH]n2)cnn1-c1cccc(Cl)c1	816633235	TZGRPBLKNMZWDI-UHFFFAOYSA-N	317.740	1.709	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@]1(C)CC1(F)F	817512339	APZDHLBDDYUUSC-AMIZOPFISA-N	316.279	1.786	50	20	DDGD	
COc1cc(C(C)=NNC(=O)COc2ccc(C)cc2)on1	814743242	ZXPILILBNXGPET-UHFFFAOYSA-N	303.318	1.911	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@H]1CCc2nnnn2CC1	817807494	AWCACZYERGXPPB-JTQLQIEISA-N	319.344	1.152	50	20	DDGD	
CNS(=O)(=O)c1ccc(-c2ccc(C=NNC(C)=O)o2)cc1	812377339	FRPNOVLJLSFLSR-UHFFFAOYSA-N	321.358	1.325	50	20	DDGD	
CC(C)n1cncc1C=NNC(=O)c1ccc2c(c1)OCCO2	819803096	HUPYFPRTUUADBO-UHFFFAOYSA-N	314.345	1.999	50	20	DDGD	
CC(C)c1nn(-c2ccccc2)cc1C(=O)NNC(=O)N(C)C	819198246	QQKASNROERLYCM-UHFFFAOYSA-N	315.377	1.912	50	20	DDGD	
CSC1(CNC(=O)NNC(=O)C(C)(C)C)CCN(C)CC1	811879448	UWSGXDHUGDGKFW-UHFFFAOYSA-N	316.471	1.190	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cn(C)nc2C2CC2)nc1	813500809	KIZSSBKOLPULIR-UHFFFAOYSA-N	315.333	1.236	50	20	DDGD	
CCC[C@@H]1C[C@H]1C(=O)NNC(=O)Cn1cnc2ccccc21	812451279	FQQGZUMCXDPTDC-VXGBXAGGSA-N	300.362	1.620	50	20	DDGD	
CCOCCNC(=O)NNC(=O)c1cccc(OC(F)F)c1	728598150	XMMBUTAOVFLHMG-UHFFFAOYSA-N	317.292	1.269	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)CC2CCCC2)c1C(F)F	727488262	NJLLRTHMCYFWAE-UHFFFAOYSA-N	300.309	1.699	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NNC(=O)OC(C)(C)C)cc1	495403786	PVKGEIOPRXVLSF-UHFFFAOYSA-N	308.338	1.607	50	20	DDGD	
C[C@@H]1SCC[C@H]1NC(=O)NNC(=O)CCOc1ccccc1	825821399	UKVJOWADLVWXCZ-WCQYABFASA-N	323.418	1.680	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21	827600440	NDIXXXPGRGRLLJ-GRYCIOLGSA-N	323.418	1.905	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C	495691892	DTGWZSWOVHCIOR-UWVGGRQHSA-N	315.370	1.409	50	20	DDGD	
CN(CCCC=NNC(=O)Cc1cc[nH]n1)C(=O)OC(C)(C)C	496482114	SPOZMKRTKRVQRG-UHFFFAOYSA-N	323.397	1.701	50	20	DDGD	
Cn1cc(C(=O)NN=C2CCC[C@@H]2NC(=O)OC(C)(C)C)cn1	494692185	BDQWGNIMEZLGNI-NSHDSACASA-N	321.381	1.583	50	20	DDGD	
COC(=O)CC1(NC(=O)/C(C#N)=C/c2ccc(O)cc2)CCC1	491047238	IKEVSAUOGLOPKX-UKTHLTGXSA-N	314.341	1.901	50	20	DDGD	
COC(=O)c1ccccc1CC(=O)NNC(=O)OC(C)(C)C	494605544	BVYGWRUZGGANRQ-UHFFFAOYSA-N	308.334	1.572	50	20	DDGD	
CC[C@@H]1CN(C(=O)/C(C#N)=C/c2cnn(C)c2)C[C@@H](CC)O1	491010248	LTHYPDDCVFIFCU-KUYFCZACSA-N	302.378	1.743	50	20	DDGD	
COc1ccnc(NNC(=O)/C=C\c2ccc(OC)c(O)c2)n1	492519028	DJUMKMRHINMMHG-XQRVVYSFSA-N	316.317	1.356	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H](C(=O)NN=c1cc[nH]cc1)C1CCC1	496094984	SILVCWPNIILKAZ-ZDUSSCGKSA-N	320.393	1.640	50	20	DDGD	
CSc1ccccc1[C@@H](C)NCC(=O)NNC(=O)C(C)C	829477688	PPTMCXYLCAKEHU-LLVKDONJSA-N	309.435	1.863	50	20	DDGD	
COC(=O)N(C)N=Cc1c(N2CCOCC2)nc2ccccn12	497032994	HLAOLBDLDWGTSN-UHFFFAOYSA-N	317.349	1.203	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21	820079829	USYFWGBLJOLKPO-FWYXLJOVSA-N	311.385	1.677	50	20	DDGD	
N#CCn1c(C(=O)NNC(=O)CC(F)(F)F)cc2ccccc21	729524311	ZADFJQXPTAVESV-UHFFFAOYSA-N	324.262	1.878	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1cccc2c1OCO2	729513803	QJHMCGKFARJIMJ-UHFFFAOYSA-N	313.313	1.288	50	20	DDGD	
O=C(/C=C/c1ccc(OCc2ccccc2)cc1)NCB(O)O	585056013	IPSRQHCLDFPUCK-DHZHZOJOSA-N	311.146	1.407	50	20	DDGD	
C=CCN(CC1CCCCC1)C(=O)c1cccc(B(O)O)c1	584943099	BPAGYZDUHHMCOD-UHFFFAOYSA-N	301.195	1.575	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(-c2cccc(C#N)c2)no1	495693499	PAJLUIUWLZFSSA-UHFFFAOYSA-N	300.274	1.556	50	20	DDGD	
CC(C)C(=O)NNC(=O)CCCN(C)C(=O)OC(C)(C)C	490807223	HKCODMIQZQVWMW-UHFFFAOYSA-N	301.387	1.437	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)NC2CCCCC2)c2c1CCCC2	823644930	KROQREIKGZELQR-UHFFFAOYSA-N	319.409	1.576	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])cc1Cl	490839736	DXGGGZNYSKZSFA-POHAHGRESA-N	309.709	1.918	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)N2CC[C@@H](B(O)O)C2)cc1OC	585070906	ICLNXFZWQIXRCN-GFCCVEGCSA-N	321.182	1.057	50	20	DDGD	
C[C@H](CC(=O)N1CC[C@H](B(O)O)C1)Cc1ccc(Cl)cc1	585064734	JCNDNGKROVFKDZ-AAEUAGOBSA-N	309.602	1.984	50	20	DDGD	
O=C(/C=C/c1ccc(Cl)nc1)NNC(=O)N=c1cc[nH]cc1	493268224	OZQQPSUFNOZCGB-DUXPYHPUSA-N	317.736	1.418	50	20	DDGD	
Cc1nc2c(s1)[C@H](N(C)CC(=O)NNC(=O)C(C)C)CCC2	828299900	BRLBRSLUSIUMHF-GFCCVEGCSA-N	324.450	1.564	50	20	DDGD	
CC(C)Oc1cccc(CN(C)CC(=O)NNC(=O)C(C)C)c1	828491884	BWYREDOHGSMFML-UHFFFAOYSA-N	321.421	1.709	50	20	DDGD	
CN(C)CC(=O)NN=Cc1sc(N2CCCC2)nc1Cl	735971610	NRAZHBQPUOQSOS-UHFFFAOYSA-N	315.830	1.408	50	20	DDGD	
Cc1cc(C)c(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)c(C)c1	730575431	DAZQRLZPBHTNJZ-ZDUSSCGKSA-N	308.403	1.497	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](c1c(F)cccc1Cl)N(C)C	495821835	BBPURNAFUKMDFB-NSHDSACASA-N	317.748	1.811	50	20	DDGD	
CN(C)c1cc(C(=O)NN=C2COc3cc(O)ccc32)ccn1	731561707	SMHJSUZJFBVZQX-UHFFFAOYSA-N	312.329	1.380	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N(CC1CC1)C1CCCCC1	584939239	HPMMVHQQNWMJEA-UHFFFAOYSA-N	319.185	1.690	50	20	DDGD	
CCn1cc(NC(=O)NNc2cccc(C(=O)O)c2)ccc1=O	833681901	LPCDPRTXZJCAGN-UHFFFAOYSA-N	316.317	1.715	50	20	DDGD	
CCN(CC)CCCN(CC)C(=O)/C(C#N)=C/c1cnn(C)c1	491107580	VVMZXEAVJPMECY-LFIBNONCSA-N	317.437	1.907	50	20	DDGD	
COc1cc(NCc2ccc(B(O)O)cc2F)c(C)c(OC)c1	585040996	BQWZGLRYQZMHIU-UHFFFAOYSA-N	319.141	1.443	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@@H]1CCCN(CCc2ccccc2)C1	831868207	SBOXOGPQOLWKEU-QGZVFWFLSA-N	324.428	1.901	50	20	DDGD	
CCN(CC(=O)NNc1cccc(C(=O)OC)c1F)C1CC1	837061963	XBHOOPYLHCTXNS-UHFFFAOYSA-N	309.341	1.540	50	20	DDGD	
CCn1cc(C=NNC(=O)[C@@H](C)Oc2cccc(C)c2C)nn1	901146505	NFKYAURALNVMDL-CYBMUJFWSA-N	315.377	1.832	50	20	DDGD	
C[C@@H](NCc1ccc(B(O)O)cc1F)[C@H](C)c1ccccc1	585025814	DHVMGAMKSHGHFJ-QWHCGFSZSA-N	301.170	1.787	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cn1)c1ccc2c(c1)OCO2	736064906	VDUFOOFQDKFWSL-UHFFFAOYSA-N	319.704	1.539	50	20	DDGD	
CC(=O)N1CCC(NC(=O)NNc2c(F)cccc2F)CC1	735755651	GPKCQRQJNUYESI-UHFFFAOYSA-N	312.320	1.602	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCOC1)c1cnn(CC2CCC2)c1	901256098	YQYXTRASTKIGKF-CQSZACIVSA-N	304.394	1.950	50	20	DDGD	
CC(CS(=O)(=O)c1ccccc1)=NNC(=O)NCC1CC1	735406901	RIBDFGNINBFRRP-UHFFFAOYSA-N	309.391	1.545	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1csc(-c2ccccn2)n1	588615911	HWYJIPQJOAUQRV-XFFZJAGNSA-N	320.399	1.961	50	20	DDGD	
CN(C)CC(=O)NN=Cc1cc(C#N)ccc1Br	901183195	HXWGORRTPAEQMD-UHFFFAOYSA-N	309.167	1.332	50	20	DDGD	
C[C@@H](c1ccccc1)c1cc(C(=O)N2CC[C@H](B(O)O)C2)n[nH]1	585066029	IKOGGDGVTMSXEN-AAEUAGOBSA-N	313.166	1.250	50	20	DDGD	
COc1cc(C=NNC(=O)c2cnn(C)c2)cc(Cl)c1O	735412107	LRSBIEVYCKIONX-UHFFFAOYSA-N	308.725	1.552	50	20	DDGD	
C[C@@H](c1ccccc1)N(CC1CC1)C(=O)c1cccc(B(O)O)c1	584937559	VSFIQXMRZMSXIJ-AWEZNQCLSA-N	323.201	1.980	50	20	DDGD	
Cn1ccnc1[C@@H]1CCN(C(=O)[C@@]2(C)C[C@H]2Br)C1	907133373	RRAQJZBBBCGTSZ-BREBYQMCSA-N	312.211	1.910	50	20	DDGD	
O=C(CCCc1ccc2c(c1)-c1ccccc1C2)NCB(O)O	585061898	LQGJAVCOJCFPJH-UHFFFAOYSA-N	309.174	1.709	50	20	DDGD	
N#CCC1(CNC(=O)NNC(=O)Nc2cc(F)cc(F)c2)CC1	836438792	MZDWKMJBIHCIGV-UHFFFAOYSA-N	323.303	1.994	50	20	DDGD	
O=S(=O)(CCl)N[C@@H]1CCCN(c2ccccc2F)C1	830981639	VBLRXHMWYVGPOC-SNVBAGLBSA-N	306.790	1.910	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)Nc1cnsn1	839121866	JNUZFUPKMDGHSF-UHFFFAOYSA-N	309.376	1.555	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)[C@H]2CCCCO2)c(C)c1	836236091	XGKOZDMXTIXEEH-CQSZACIVSA-N	305.378	1.703	50	20	DDGD	
Cc1cnc(C=NNC(=O)[C@H](C)CN2C[C@@H](C)O[C@H](C)C2)o1	834934568	OIRFJUJFZSUTKQ-RAIGVLPGSA-N	308.382	1.178	50	20	DDGD	
C[C@H](C[C@H](O)c1ccc(F)cc1)NCc1cccc(B(O)O)c1	585035037	PBBLFVZTGMNMRL-PXAZEXFGSA-N	317.169	1.107	50	20	DDGD	
C[C@@H]1CC[C@@H](CNC(=O)NNC(=O)CCCc2ccccc2)O1	838744082	HXGJXXGJJJLOHC-HIFRSBDPSA-N	319.405	1.907	50	20	DDGD	
CCS[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(B(O)O)cc1	584961636	YHJNHVLHIUGHIN-UONOGXRCSA-N	307.224	1.161	50	20	DDGD	
C[C@@H]1O[C@H](C)CC1=NNC(=O)C1CCN(c2ncccn2)CC1	834955956	KJCSIJALLKQRQS-NEPJUHHUSA-N	317.393	1.363	50	20	DDGD	
Cc1ccc(F)c(C=NNC(=O)c2ccc(-n3cnnn3)cc2)c1	734977937	NPOXBKKCTJMUAS-UHFFFAOYSA-N	324.319	1.874	50	20	DDGD	
Cc1nn(C)c2sc(C(=O)NNC(=O)CC(F)(F)F)cc12	918703743	HYRVMQWHTCEPCU-UHFFFAOYSA-N	320.296	1.657	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)c2ccc[nH]2)cc1OC	915256666	UINXIQASIUNHTF-UHFFFAOYSA-N	318.333	1.176	50	20	DDGD	
COc1nccnc1NNC(=O)C(C)(C)Nc1ccccc1	910586238	XOGVNNZUUUULCZ-UHFFFAOYSA-N	301.350	1.819	50	20	DDGD	
COc1ccc2cccc(CC(=O)NN(C)C[C@@H](C)O)c2c1	910160796	PEDLNTHMESRDTO-GFCCVEGCSA-N	302.374	1.735	50	20	DDGD	
CCOC(=O)CCCNC(=O)NNc1cc(F)ccc1F	914129208	LVNWELVFDKKMSD-UHFFFAOYSA-N	301.293	1.934	50	20	DDGD	
O=C1NCC[C@@H]1C(=O)NNc1cc(C(F)(F)F)ccc1F	831120502	WXRDBIXOUFJRRI-ZETCQYMHSA-N	305.231	1.424	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@](C)(O)C2CC2)cc1F	837051002	YHALKAYFKNLMLB-HNNXBMFYSA-N	310.325	1.607	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)c(F)c1	743751341	IPAITGBCEWBJTL-SECBINFHSA-N	300.305	1.926	50	20	DDGD	
O=C(NNC(=S)N[C@@H]1CCc2ccccc2C1)NC1CC1	742993771	ULVGJDZQLXBUAB-CYBMUJFWSA-N	304.419	1.385	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H](C#N)CCc1ccccc1	843973180	XFMMHTHCIDDYPC-CFVMTHIKSA-N	315.373	1.331	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)[C@@H]1CCCS(=O)(=O)C1	845856093	QTQNVQRRSWUZRJ-SNVBAGLBSA-N	300.355	1.402	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=C1CC(C)(C)Cc2nc(N)sc21	842560501	MGANGRAQTXYILA-DTWKUNHWSA-N	322.434	1.943	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@H](CC)OC	743738006	PAGYXISGKWDNEW-ZDUSSCGKSA-N	318.377	1.171	50	20	DDGD	
O=C(CCCn1c(=O)oc2ccccc21)NNc1ncccn1	913044342	PEISVGRVSUHNIX-UHFFFAOYSA-N	313.317	1.308	50	20	DDGD	
CCN(CCO)NC(=O)c1cn(CC)nc1-c1ccccc1	911439202	LPUXWSRVMVNJDX-UHFFFAOYSA-N	302.378	1.529	50	20	DDGD	
C[C@H]1C[C@H](C)N(CC(=O)NNC(=O)c2cccc(Cl)c2)C1	740885063	YLIFIPPNDZHLNL-QWRGUYRKSA-N	309.797	1.831	50	20	DDGD	
COc1ccc2c(c1)OC[C@H](C(=O)NNC(=O)CC(C)C)C2	747416115	MRDDBQFHWKLRQD-GFCCVEGCSA-N	306.362	1.440	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)C1)c1cccc2ccccc12	741464822	ACHGMERTOQPWMW-UHFFFAOYSA-N	302.355	1.744	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)Cc1ccncc1)CC(C)C	841593143	YGEZIQXYZWQWCC-CYBMUJFWSA-N	308.382	1.016	50	20	DDGD	
Cc1ccc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)s1	916350336	YGRUGUYRRADLQI-UHFFFAOYSA-N	312.358	1.796	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ncc(Br)cn1)C1CC1	847299506	YZNIKCPOPYEZSU-ZETCQYMHSA-N	314.187	1.911	50	20	DDGD	
CC(=O)N[C@@H](CC(C)C)C(=O)NNc1cc(Cl)nc(C)n1	841471131	LBJKWUDKHXBBPJ-JTQLQIEISA-N	313.789	1.432	50	20	DDGD	
CC(=NNC(=O)CCN1CCCCCC1)c1cc2n(n1)CCC2	841610987	NYHLVOCBROKEDA-UHFFFAOYSA-N	317.437	1.936	50	20	DDGD	
CC(=O)c1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccc[nH]2)c1	745107466	DDMLBIGFSNTJGY-NSHDSACASA-N	315.329	1.446	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)c2cc(C)n(C)n2)cc1	846372596	WYUFNKIAHQNIJW-UHFFFAOYSA-N	302.334	1.201	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)C[C@H]2CCOC2)cc1	743829072	XSNWSEDIGNBHIX-LLVKDONJSA-N	306.366	1.332	50	20	DDGD	
CCNc1nnc(SCC(=O)NNC(=O)C(C)(C)C)s1	742450607	CVUIWKYTGCIWIL-UHFFFAOYSA-N	317.440	1.256	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)N[C@@H]2CCCC[C@H]2F)c1	840441067	MEHNYVXTUBXSSM-ZIAGYGMSSA-N	322.384	1.977	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	843639360	HVPGJUWUUGMDQP-VNRAKMJVSA-N	319.317	1.180	50	20	DDGD	
O=C(Cc1ccncc1)NN=Cc1ccc(O)c([N+](=O)[O-])c1	747642453	UNPZBXYBNWYJHP-UHFFFAOYSA-N	300.274	1.388	50	20	DDGD	
CC[C@@H]1CCc2ccccc2N1CC(=O)NNC(=O)C1CC1	748837233	AXYGVPFMBPDFRT-CQSZACIVSA-N	301.390	1.775	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)c2nnc(O)c3ccccc23)cn1	920984876	JVKBGCUMSUAAND-UHFFFAOYSA-N	324.344	1.706	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1cccc2c1CCNC2	841306376	XKPMMRYSUCQKHS-UHFFFAOYSA-N	304.394	1.921	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccc(OC(F)F)cc2)n1	740102632	DAIIZXKVPNASGR-UHFFFAOYSA-N	323.303	1.901	50	20	DDGD	
CC(C)(C)OC(=O)c1ccc(C(=O)NNC(=O)C2CCC2)cn1	845482911	KKALGZNVUZONII-UHFFFAOYSA-N	319.361	1.598	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1C[C@@H](C(=O)O)[C@H](C2CC2)C1	923731681	MVTSUPKOHNNJIH-WDEREUQCSA-N	323.842	1.624	50	20	DDGD	
C[C@@H]1C[C@H](CO)CN(C(=O)NC[C@]2(C)C[C@@H]2Br)C1	856957557	AJZFZXFPVRNDAW-BLFANLJRSA-N	319.243	1.820	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)C2CC3(CC3)C2)c1	850216404	XUPJKPXRUQVPQC-UHFFFAOYSA-N	316.357	1.489	50	20	DDGD	
CCc1nocc1C(=O)NNC(=O)COc1ccccc1OC	854190945	ORLZGXRGILWHMQ-UHFFFAOYSA-N	319.317	1.086	50	20	DDGD	
Cc1nnc2n1C[C@H](C(=O)NNc1cccnc1Cl)CC2	750793525	CCCJIOCTDFXXRU-SECBINFHSA-N	306.757	1.341	50	20	DDGD	
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NNC(=O)c1cccc(F)n1	852302124	AQRIMCJYCVPOLI-ZWNOBZJWSA-N	322.340	1.146	50	20	DDGD	
Cc1nc(C=NNC(=O)[C@H](C)CN2CCC(C)CC2)[nH]c1C	853278578	DBRWBNCUFKPKKI-GFCCVEGCSA-N	305.426	1.845	50	20	DDGD	
C[C@]1(CNC(=O)N[C@H](CO)CC2CC2)C[C@H]1Br	856896447	CHQBYHFPLWFXOM-HOSYDEDBSA-N	305.216	1.620	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1F	753232630	XYROJOAIROKPBW-VNDWYCCKSA-N	317.320	1.269	50	20	DDGD	
N#Cc1ccc(NNC(=O)CN2CCCNC2=O)cc1Cl	753302126	IYKSRBDPEYSETR-UHFFFAOYSA-N	307.741	1.070	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCc3nn(C)cc32)cn1	857935190	BHFWRDJBMKNCNG-TZWLIRKLSA-N	310.361	1.254	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)Cc2csc3nccn23)n1	753451901	MHOJNFLQYPRGOC-UHFFFAOYSA-N	323.769	1.107	50	20	DDGD	
Cc1ccccc1C(=O)NN=C1CCC2(CC1)NC(=O)NC2=O	758099583	LKOHPSIKHXVHOV-UHFFFAOYSA-N	314.345	1.233	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cn(C)nc1C(C)(C)C)C1CC1	855099036	QEJWUTXHKJNWIQ-SECBINFHSA-N	323.466	1.625	50	20	DDGD	
CC(C)c1nc(C=NNC(=O)c2cnn(C)c2)c2ccccn12	755732521	ZHNOHSQMLLMXSK-UHFFFAOYSA-N	310.361	1.955	50	20	DDGD	
CCOc1nccc(C)c1C(=O)NNC(=O)OCC(F)(F)F	856020339	DAYDSCFKKBDTLJ-UHFFFAOYSA-N	321.255	1.722	50	20	DDGD	
Nc1ccc2c(c1)CCC[C@H]2NS(=O)(=O)CBr	850588152	UYFZAMNGRKERNL-LLVKDONJSA-N	319.224	1.918	50	20	DDGD	
CC(C(=O)OCC(=O)NNC(=O)c1cccs1)=C1CCCC1	754163197	XFZCJLXYQMTDRJ-UHFFFAOYSA-N	322.386	1.943	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CO)cc1NC(=O)C(C)(C)C	756539125	IPGOJIMXQJQDEE-UHFFFAOYSA-N	322.365	1.125	50	20	DDGD	
COC(=O)c1oc(/C=C(\C#N)S(=O)(=O)NC2CC2)cc1C	853006501	HBCZFORSSGRFMV-IZZDOVSWSA-N	310.331	1.321	50	20	DDGD	
COCCN(C)CCCNC(=O)NNc1ccc(Cl)cn1	852182417	OSVFUEFALPBBBQ-UHFFFAOYSA-N	315.805	1.329	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(SC)o2)nc1	759737755	FVTWCSIUZPTUDS-UHFFFAOYSA-N	307.331	1.940	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(C3CC3)cc2)n1	854233354	XZZPKOGPIPCQHI-UHFFFAOYSA-N	312.373	1.839	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1CCCC[C@@H]1SCC	750677173	WAAAYCBSVNFSNY-QWRGUYRKSA-N	303.428	1.418	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@@H]1CCc2cccnc21	855090068	OHTUWUQSYUGNEZ-GFCCVEGCSA-N	304.419	1.407	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCN1CC[C@H](CS(N)(=O)=O)C1	932947745	CUCMNGILXUIWEE-LBPRGKRZSA-N	322.547	1.619	50	20	DDGD	
C=C[C@@H](O)C(=O)NNC(=O)COc1cc(C)ccc1C(C)C	854183446	DICKYPGAKAQRSQ-CYBMUJFWSA-N	306.362	1.192	50	20	DDGD	
CC(=O)NNC(=O)N[C@](C)(c1ccc(F)cc1)C(F)(F)F	933547828	QIHQTUBYJTTWCB-LLVKDONJSA-N	307.247	1.954	50	20	DDGD	
O=C(NNc1cnccn1)c1cnn(-c2ccc(Cl)cc2)n1	752622649	UROVDVGZCBLNEH-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CN(C)C2CCC2)cc1	863853531	KBXFIBBHNDRCFK-UHFFFAOYSA-N	304.394	1.039	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1nc2cnccc2s1	863361200	FHIIHSJANAPWSC-ZETCQYMHSA-N	310.404	1.729	50	20	DDGD	
C[C@H](NNC(=O)c1cc(N2CCOCC2)ccn1)C(F)(F)F	862304707	DYRFSKKABKCBDK-VIFPVBQESA-N	318.299	1.103	50	20	DDGD	
Cc1ccc(C=NNC(=O)c2nnc(O)c3ccccc23)nc1	761805425	QGLZSIOPPAGUCK-UHFFFAOYSA-N	307.313	1.803	50	20	DDGD	
CSCCNC(=S)NNC(=O)C[C@@H](C)c1ccco1	860540637	DXZCMSXBXUPGGC-SECBINFHSA-N	301.437	1.632	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cc(-c2cccc(F)c2)no1	768243266	CPJRHCOBUPARMB-UHFFFAOYSA-N	307.281	1.013	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc(N(C)C(=O)C2CC2)cc1	932613461	XBWRKOBRWILDQO-UHFFFAOYSA-N	318.377	1.868	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)n[nH]1	869013194	QDORLEYZMXUKMY-KBPBESRZSA-N	316.336	1.351	50	20	DDGD	
CCCn1cc(C(=O)NNc2nccc(N(CC)CC)n2)nn1	767149071	VKIAXRAQCHIIJV-UHFFFAOYSA-N	318.385	1.081	50	20	DDGD	
COc1nccnc1NNC(=O)CC(F)(F)C(F)(F)F	868893465	FTVOQFBVJJWRGM-UHFFFAOYSA-N	300.187	1.516	50	20	DDGD	
Cn1nccc1CCNC(=O)NNc1ncnc2ccsc12	762594496	YFSZUCWJLJJQEZ-UHFFFAOYSA-N	317.378	1.294	50	20	DDGD	
CC(=NNC(=O)C(N)=O)c1ccc(-c2ccc(F)cc2)s1	863952041	ZDZRMMFPTGXXIO-UHFFFAOYSA-N	305.334	1.880	50	20	DDGD	
Cc1nn2c(C=NNC(=O)c3ccccc3O)c(C)nc2s1	765547423	ACXORNMXLKTPNH-UHFFFAOYSA-N	315.358	1.877	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccccc1-n1cnnn1	768504124	LRGFMADLNNKRRT-UHFFFAOYSA-N	320.316	1.296	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)CCC1=O	763258145	GETPHKJEDCVJRJ-WCQYABFASA-N	317.389	1.519	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@H]1c1ccncc1	767572196	UZPBCBPEGWJUBU-ZFWWWQNUSA-N	318.421	1.801	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC[C@H]([C@H]2CCNC2)C1	866768295	AMQMVCQLBCYEPQ-STQMWFEESA-N	322.902	1.903	50	20	DDGD	
O=C(CNC(=O)C1CC1)NNc1nc2ccccc2[nH]c1=S	862291473	JZBZDVQPDKMXED-UHFFFAOYSA-N	317.374	1.262	50	20	DDGD	
CCCN(C)c1ccccc1NC(=O)NNC(=O)CN(C)C	861645894	LMZZVKJZIMQRSY-UHFFFAOYSA-N	307.398	1.247	50	20	DDGD	
CC1(C)C(=O)Nc2ccc(C(=O)NNC(=O)c3ccncc3)cc21	769028825	RGGAXHLYUMQXKN-UHFFFAOYSA-N	324.340	1.386	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)C1Cc2ccccc2C1	762974621	QYCAHTOXIDRMDL-UHFFFAOYSA-N	303.431	1.697	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1ccc(C#N)s1	762450139	PTHBLCSQJPSFKO-UHFFFAOYSA-N	316.342	1.483	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)c1	763259015	QDYFNUGGBCUWJQ-QWHCGFSZSA-N	318.373	1.527	50	20	DDGD	
COC[C@@H](NC(=O)NN(C)C(=O)OC)c1cccc(OC)c1	875731168	LRZFYZIRTFBLAP-GFCCVEGCSA-N	311.338	1.295	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=S)Nc2ccccn2)[C@H]1C	874957507	MRGLPUCUGZKFTI-GUDRVLHUSA-N	308.407	1.459	50	20	DDGD	
C[C@H](CBr)COC(=O)[C@@]12CCC(=O)N1CCS2	770323694	OBDNRGXGMIRMHE-KCJUWKMLSA-N	322.224	1.626	50	20	DDGD	
Cc1cn(-c2ccccc2)nc1C(=O)NNc1ncc(F)cn1	771437314	QMCGVUGBAVOOJQ-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)CC(C)(C)C)c1cccc(OC)c1	871871586	AKNCOOJMBJDURK-AWEZNQCLSA-N	308.378	1.966	50	20	DDGD	
C[C@H]1N(CC(=O)NNC(=O)c2cccs2)CCOC1(C)C	777600452	QJMVGMDUZQLGFF-SNVBAGLBSA-N	311.407	1.008	50	20	DDGD	
CON(C)C(=O)[C@@H](C)NC(=O)NNc1ccc(Cl)c(F)c1	875909512	KMBNMDHSTABBSG-SSDOTTSWSA-N	318.736	1.514	50	20	DDGD	
CCOC(=O)C1(CNC(=O)NNc2cc(Cl)ccn2)CC1	770555388	CAOSZYOHARCZEO-UHFFFAOYSA-N	312.757	1.704	50	20	DDGD	
C[C@@H]1OCCC1=NNC(=O)C(=O)NCc1ccc(Cl)cc1	771568132	OBBMETNHPICMQF-VIFPVBQESA-N	309.753	1.237	50	20	DDGD	
Cc1ccccc1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	771885104	QEZHASWKEGBPRY-GFCCVEGCSA-N	306.362	1.734	50	20	DDGD	
CN(CCC(=O)NNC(=O)c1cccn1C)C1CCCCC1	771604892	BGQRYRILEUNDBO-UHFFFAOYSA-N	306.410	1.441	50	20	DDGD	
O=C(CNC(=O)c1cccc(O)c1)NNc1ccc(Cl)cc1	779392541	KSFARVLQTXCALC-UHFFFAOYSA-N	319.748	1.919	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@@H]1CCO[C@H]1c1ccccc1	879090411	VPLZLNORFFTDGC-KYOSRNDESA-N	305.378	1.052	50	20	DDGD	
CCOCC(=O)COC(=O)/C(C#N)=C/c1cccc(OC)c1	777039991	KTIBFSWKKZUMTP-NTUHNPAUSA-N	303.314	1.751	50	20	DDGD	
CCN1C(=O)C[C@@H](C(=O)NNC(C)=O)[C@@H]1c1cccc(C)c1	877960826	DEGLSNSSQOKNBV-HIFRSBDPSA-N	303.362	1.072	50	20	DDGD	
CC[C@H]1C[C@H](C(=O)NNC(=O)c2cccc(C#N)c2)CCO1	779904417	ZABBOSTYBAXKCK-KGLIPLIRSA-N	301.346	1.524	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)C2CCCC2)c(C)nc1C	776779153	YMHWTMDCYRGJEK-UHFFFAOYSA-N	303.362	1.852	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1CNC(=O)NNC(=O)CCc1ccccc1	774785823	CNBYHRUSUAWCLL-HUUCEWRRSA-N	319.405	1.765	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1cc(CN(C)C)ccn1	880601482	YMUAYNMFQNLIMV-UHFFFAOYSA-N	300.366	1.995	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1cccc([N+](=O)[O-])c1C	779818277	OERKWNGUOXNKJT-UHFFFAOYSA-N	308.294	1.099	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@@H]1CCCC12OCCO2	889510595	MXJNFYXPSUICIN-MRVPVSSYSA-N	313.745	1.052	50	20	DDGD	
Cc1ncc(C(=O)NNc2cccc(S(C)(=O)=O)c2)c(C)n1	777461760	SBAOVZJIRQNSOT-UHFFFAOYSA-N	320.374	1.254	50	20	DDGD	
CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)NNC(=O)C1CCOCC1	883692595	HMPDOCITAQPGFU-CHWSQXEVSA-N	311.426	1.958	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCN(c2ccc(C)cc2)CC1	784391488	SVSAXGPISIOMQN-CQSZACIVSA-N	318.421	1.063	50	20	DDGD	
N#C/C(=C\c1ccccc1)C(=O)OCCN1CCCS1(=O)=O	785344459	KJAKDEGNJRBOPN-SDNWHVSQSA-N	320.370	1.172	50	20	DDGD	
CNC(=O)c1cccc(NC(=O)NNC(=O)C2CCC2)c1C	782550083	WNCACSRZSMHEPO-UHFFFAOYSA-N	304.350	1.307	50	20	DDGD	
Cc1nn(CC(F)F)c(C)c1C(=O)NNc1ccc(C#N)cn1	899661988	MJGFIUMMRXOCMY-UHFFFAOYSA-N	320.303	1.789	50	20	DDGD	
CCCCS(=O)(=O)/C(C#N)=C\c1ccc(C(=O)OC)cn1	899368580	JXBVFTCZBPGWRD-JYRVWZFOSA-N	308.359	1.948	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2ncc(F)cn2)c2ccccc21	786468162	RCUFWGAJMWVHOY-LBPRGKRZSA-N	300.293	1.819	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](C)c1ncnn1C	789692880	HVGRNFQBVJOHRR-VIFPVBQESA-N	310.789	1.358	50	20	DDGD	
CC(C)c1nnc(CCC(=O)NNC(=S)NC(C)(C)C)o1	899996237	HNIKKGDCXQKJBQ-UHFFFAOYSA-N	313.427	1.419	50	20	DDGD	
CC(C)Oc1cccc(C(=O)NNC(=S)NC(C)(C)C)n1	899996260	IJLCJEQZKBOBRP-UHFFFAOYSA-N	310.423	1.776	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cnn(C(F)F)c1	793078921	TUVYOTZXUOBBLI-UHFFFAOYSA-N	310.351	1.344	50	20	DDGD	
O=C(CN(Cc1c(F)cccc1F)C1CC1)NNC(=O)C1CC1	792322431	BXBZRDNGQBBXAO-UHFFFAOYSA-N	323.343	1.487	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)[C@@H]1CCC(F)(F)C1	794894329	GDYDYSXUUXWCKG-SNVBAGLBSA-N	322.315	1.619	50	20	DDGD	
COCCN(C)c1ccc(C=NNC(=O)c2ccc[nH]2)cn1	790154744	XUXMUHIEERMOMJ-UHFFFAOYSA-N	301.350	1.256	50	20	DDGD	
CCCn1cc(NC(=O)C(=O)NNc2ncccc2C)cn1	792378238	LMWWZUFDSQRTJR-UHFFFAOYSA-N	302.338	1.078	50	20	DDGD	
O=C(NNS(=O)(=O)c1cc(Cl)ccc1F)c1ccc[nH]1	790044572	BTMGKJVEFYLSOR-UHFFFAOYSA-N	317.729	1.431	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CCC(=O)c3cccn32)nc1	790045559	YKVCRTPZTLKCPY-LBPRGKRZSA-N	300.318	1.553	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccc(Cl)c1[N+](=O)[O-]	798306892	XZDVEKIFYYLXFK-UHFFFAOYSA-N	314.754	1.543	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)OCc2ccnc(N)c2)cc(C#N)n1C	791661690	OXIGGXCHLQQJLZ-NSIKDUERSA-N	321.340	1.833	50	20	DDGD	
CCC(=NNC(=O)c1ccc(O)c(O)c1)c1c(C)nn(C)c1C	794556932	IYZVWKYGHOIANQ-UHFFFAOYSA-N	316.361	1.992	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H](C)CCC(=O)OC(C)C)nc1	793151052	MGXZYARFZLCMPS-LLVKDONJSA-N	324.381	1.837	50	20	DDGD	
CCS(=O)(=O)C[C@H](C)N(C)C[C@H](C)CBr	248782779	WZNLSRCTOJKMGY-ZJUUUORDSA-N	300.262	1.772	50	20	DDGD	
CCCNC(=O)NN=Cc1ccc(OCC(=O)OCC)cc1	1318945039	CWVYRLZQGOKVSH-UHFFFAOYSA-N	307.350	1.672	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNc2nncc(N)c2Cl)no1	1322656347	RZNSAJQBQQWFPQ-UHFFFAOYSA-N	310.745	1.755	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC(C)(C)CC#N)cc1	1324700745	NYNJRWBSDLUBED-UHFFFAOYSA-N	304.350	1.579	50	20	DDGD	
O=C(CCl)Nc1cccc(Cn2nc3ccccn3c2=O)c1	1336910202	RCJQZZBUMOXXPA-UHFFFAOYSA-N	316.748	1.722	50	20	DDGD	
CN(C)Cc1cc(C(=O)NC[C@]2(C)C[C@@H]2Br)no1	1331153489	UACRRSKIAIHZMK-JQWIXIFHSA-N	316.199	1.640	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCc1nnc(C2CC2)o1	1261085505	CLCBHIUHKCPPKJ-UHFFFAOYSA-N	323.784	1.929	50	20	DDGD	
COC12CCC(C(=O)NNC(=O)c3ccccc3)(CC1)C(=O)C2	1348415187	FFADBOUZIFCFQY-UHFFFAOYSA-N	316.357	1.366	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@]1(c2ccccc2)CC1(C)C	1347918668	VUZAUIQWGSSVRR-WRSAYESZSA-N	316.401	1.927	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)CCc1cccc(O)c1)C1CC1	1347307014	YYLXUYGSRBJPFX-JTQLQIEISA-N	307.419	1.619	50	20	DDGD	
O=C(O)c1cc(OC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)ccc1[N+](=O)[O-]	1608857682	WUXLRCRGVXKGTN-SFGNSQDASA-N	319.269	1.814	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2c(F)cncc2F)cc1	1602129063	MATFNQZIDWUDLW-UHFFFAOYSA-N	307.256	1.744	50	20	DDGD	
CCO/C=C(\C#N)c1nnc(-c2cccc(-c3nn[nH]n3)c2)o1	1609239831	XRNVFXXYSCFRJY-DHZHZOJOSA-N	309.289	1.818	50	20	DDGD	
CNc1ccc(C(=O)NNc2ccc(CC(=O)O)cc2)cn1	1606310347	OSWCQSIBGSXSBQ-UHFFFAOYSA-N	300.318	1.507	50	20	DDGD	
Cn1nccc1C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1609482572	IORVTKVFBXEWIX-UHFFFAOYSA-N	318.728	1.011	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc(/C=C/C(=O)O)o1	1603351220	ZLKSEOFVUMLVKJ-FNORWQNLSA-N	311.363	1.285	50	20	DDGD	
CSCCCNC(=O)NNc1cccc(C(=O)O)c1F	1607396358	BBQYBINYPXUTRQ-UHFFFAOYSA-N	301.343	1.903	50	20	DDGD	
O=C(NCc1ccccc1)NNC(=O)C1(C(=O)O)CCCCC1	1605806662	MVTUKGQSWWCNPC-UHFFFAOYSA-N	319.361	1.552	50	20	DDGD	
CC(=NNC(=O)OCC(F)(F)F)c1ncc(C(=O)O)s1	1602990778	GVUKHTMGQJCNEA-UHFFFAOYSA-N	311.241	1.854	50	20	DDGD	
O=C(O)c1cccc(Cl)c1COc1ccc(B(O)O)cc1	1608933709	XVYXVDBFMZWFSI-UHFFFAOYSA-N	306.510	1.297	50	20	DDGD	
Cc1ccc(NNC(=O)C(C)(C)c2cnn(C)c2)cc1C(=O)O	1600462831	KMSAIFFFBAJDQT-UHFFFAOYSA-N	316.361	1.848	50	20	DDGD	
O=C(NN=C1CCc2ccc(F)cc21)[C@H]1CN2CCC[C@H]2CO1	1549316085	DYVZVPYHEMMKGE-XJKSGUPXSA-N	317.364	1.455	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@H]1C=NNC(=O)c1cnccn1	1552447268	QSQXFMVQNKUGAB-FZMZJTMJSA-N	314.349	1.094	50	20	DDGD	
C=C(Cl)C[C@@H](N)C(=O)NNC(=O)c1cc2c(s1)CCC2	1574857208	OMRJJCVXMLJKRE-SECBINFHSA-N	313.810	1.468	50	20	DDGD	
CC(C)C[C@H](N)C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	1575640588	XTPCHKPYZXZEFD-LBPRGKRZSA-N	315.377	1.211	50	20	DDGD	
NC[C@H]1CCCN(S(=O)(=O)c2ccc(CCCl)cc2)C1	1574270630	JOESIIUKLBRMEK-CYBMUJFWSA-N	316.854	1.827	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccn1)[C@@H]1C[C@H]2CC[C@H]1NC2	1580737537	SCDPBDRFEFPEGJ-FBIMIBRVSA-N	314.311	1.932	50	20	DDGD	
CO/C=C(\C)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1844180020	FWGOZYIOWRWOFQ-OLKPEBQYSA-N	304.749	1.274	50	20	DDGD	
CC(C)(CCl)C(=O)N1CC2(CCCN2C(=O)C2(F)CC2)C1	1845891995	MCOKEUXQIMVRCJ-UHFFFAOYSA-N	316.804	1.957	50	20	DDGD	
CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1cnoc1C	1588776175	BRSIPGIZZIWACP-UHFFFAOYSA-N	311.305	1.317	50	20	DDGD	
CCC(=O)N1CCCC12CN(C(=O)[C@](C)(Cl)CCl)C2	1842635867	ZFUREGMAQWGAIG-GFCCVEGCSA-N	307.221	1.836	50	20	DDGD	
O=C(Cc1ccccc1C(=O)O)NNc1ncccc1[N+](=O)[O-]	1594709637	CGSIFBWDWJALFV-UHFFFAOYSA-N	316.273	1.374	50	20	DDGD	
O=C(NCc1ccsc1)NNc1cccc(-c2nn[nH]n2)c1	1593148150	VGLOAVGYDPRNDI-UHFFFAOYSA-N	315.362	1.755	50	20	DDGD	
CCc1ccc(NNC(=O)c2cccn(CC(=O)O)c2=O)cc1	1593638701	BYJOBHMJRKBZKU-UHFFFAOYSA-N	315.329	1.252	50	20	DDGD	
COc1cc(-c2nn[nH]n2)ccc1NC(=O)NN(C)C1CC1	1591494247	ILYLHVHVNQKZEF-UHFFFAOYSA-N	303.326	1.006	50	20	DDGD	
Cc1nn(C(C)(C)C)cc1C(=O)NNc1ncccc1C(=O)O	1594480575	PRPCPGVWNSQOHG-UHFFFAOYSA-N	317.349	1.797	50	20	DDGD	
COc1cc(NC(=O)NNc2ccc(C(=O)O)cc2F)n(C)n1	1599439531	FFFDXBNMDLKUGV-UHFFFAOYSA-N	323.284	1.415	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN[C@H]1CCCC[C@H]1C	162417206	AKLGQRNGZAYWLM-ZBFHGGJFSA-N	317.433	1.853	50	20	DDGD	
Cn1nnnc1SCCC(=O)NNc1ccccc1Cl	158467039	JSNOXKHOQBGTAH-UHFFFAOYSA-N	312.786	1.489	50	20	DDGD	
COC(=O)[C@H](NNC(C)=O)c1cccc(Br)c1	158749290	BJBGRXKOXNGPHX-SNVBAGLBSA-N	301.140	1.304	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	160282442	BPVFQOUIZKVCFC-YNEHKIRRSA-N	309.410	1.265	50	20	DDGD	
Cc1ccc(F)c(NC(=O)C(=O)NNc2nc(C)cc(C)n2)c1	156255966	ZGDVYUXKBQACET-UHFFFAOYSA-N	317.324	1.623	50	20	DDGD	
COc1ccc(O)c(CNS(=O)(=O)CCCCCl)c1	154352316	PHTDODQUQNVGNM-UHFFFAOYSA-N	307.799	1.839	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)COC(F)(F)F	826922467	XBJPADGHMGPMGM-UHFFFAOYSA-N	306.240	1.823	50	20	DDGD	
N#CSCCCNC(=O)CNC(=O)OCc1ccccc1	773594032	NNTUZPKQSDVTTH-UHFFFAOYSA-N	307.375	1.633	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNC(=O)[C@@H](C)Oc1ccc(F)cc1	7698577	SVGPOXOLJCKLCC-OYVNLZQHSA-N	321.308	1.184	50	20	DDGD	
Cc1nccc(CNC(=O)NNC(=O)c2ccc(Cl)cc2)n1	57077640	RWDQRMVPRHMYKC-UHFFFAOYSA-N	319.752	1.583	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C[C@@H]2CCCO2)c(C)c1	170850976	IYTBGASMSZCMDS-ZDUSSCGKSA-N	305.378	1.432	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(Cl)c2c(c1)OCCCO2	21772119	CYUSKMBBHNUENK-UHFFFAOYSA-N	314.725	1.892	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@H]2CCCN(C(C)C)C2)n1	105275090	OHNCZFYDLXDGAG-LBPRGKRZSA-N	322.413	1.232	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)CNc2ccccc2)cc1	111547389	LLPNIGXINCCUDR-UHFFFAOYSA-N	311.341	1.762	50	20	DDGD	
Cc1nn(C)cc1[C@H](C)NC(=O)NNC(=O)c1ccccc1F	69334119	IVSSLUWFMXZEIV-VIFPVBQESA-N	319.340	1.573	50	20	DDGD	
O=C(Cc1ccoc1)NNC(=O)c1cc(-c2ccccc2)on1	118980837	NYLVTIZYCNWJNT-UHFFFAOYSA-N	311.297	1.938	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1ccc2[nH]nnc2c1	66839747	JKCDUNQUJJBQGX-UHFFFAOYSA-N	313.292	1.101	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1c[nH]c2ccccc2c1=O	63460989	KDDYDRWULURDNZ-UHFFFAOYSA-N	303.318	1.698	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NNC(=O)c1ccc(CC)cc1	68516399	SFWINBDTFNMONE-ZDUSSCGKSA-N	320.393	1.237	50	20	DDGD	
O=C(CCOC[C@H]1CCCO1)NNc1c(F)cccc1F	118515730	HHMYVGVZIXGLBI-SNVBAGLBSA-N	300.305	1.994	50	20	DDGD	
CN(C)CC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1	113424142	UOXSMWYQCQJKDB-JKSUJKDBSA-N	311.385	1.652	50	20	DDGD	
O=C(CC[C@H]1CCOC1)NNC(=O)c1c[nH]c2ccccc12	177645375	QHZSJNVSQAZOJK-NSHDSACASA-N	301.346	1.746	50	20	DDGD	
CSc1ccc(C(=O)NNc2cnccn2)cc1[N+](=O)[O-]	114877509	IUWHVKMVPKEHGH-UHFFFAOYSA-N	305.319	1.864	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)NNc2cccnn2)C1	172453684	AHUJIZURRYBFNO-FRRDWIJNSA-N	306.414	1.469	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CCCn1cncn1	112890546	MVZBOCBPFSAQHV-UHFFFAOYSA-N	306.278	1.581	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1nc(C2CC2)cs1	170697029	HAMITPZQYKJWHM-UHFFFAOYSA-N	303.347	1.882	50	20	DDGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccn(C)n2)cc(OC)c1	179421919	GJYNXVJHWFMVHP-WUXMJOGZSA-N	312.329	1.983	50	20	DDGD	
CC[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cccn1C	175132328	RFTHHCICFHYDMA-CYBMUJFWSA-N	319.336	1.783	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)cc1)NNc1ccc(F)cc1F	170898524	HTKLDCMEUYNPED-UHFFFAOYSA-N	323.274	1.977	50	20	DDGD	
Cc1ccncc1NC(=O)C(=O)NNc1cc(F)c(F)c(F)c1	126349327	SEFKNIYVVYBGPP-UHFFFAOYSA-N	324.262	1.889	50	20	DDGD	
CCc1nnsc1C(=O)NNC(=O)CCCc1ccccc1	68053601	RUQXDRRJIAKFEW-UHFFFAOYSA-N	318.402	1.884	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(Cl)ccc1C	124765102	WTMSQIZLLGXTDA-QMMMGPOBSA-N	311.769	1.780	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@H]1CCC[C@@H](C(F)(F)F)C1	404935795	HVXLUBNOHHGHAQ-VHSXEESVSA-N	315.100	1.674	50	20	DDGD	
CN(C)[C@@H]1CCC[C@H](NC(=O)NNc2nc3ccccn3n2)C1	189463105	OTDIDAKMDRDKIL-NWDGAFQWSA-N	317.397	1.228	50	20	DDGD	
CC(C)c1ncc(Cl)c(C(=O)NNC(=O)c2cccnc2)n1	122300277	XQHAGHOZVWMDJX-UHFFFAOYSA-N	319.752	1.723	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ccc3ccccc3n2)nc1	181081368	ZBOPXAAUARGEMU-UHFFFAOYSA-N	307.313	1.486	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NNC(=O)Cc1cccnc1	185455707	RHFGLCJBOFIGKT-HUUCEWRRSA-N	319.405	1.757	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)C(=O)Nc1cccnc1	129033513	RRGREOMWYDSWJY-UHFFFAOYSA-N	322.271	1.765	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1ccc(F)cc1F	126176646	VRRVWNVSPGPZAE-UHFFFAOYSA-N	313.304	1.487	50	20	DDGD	
CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)NNc2ncccn2)C1	79091504	MPHLVMHTVCUETI-FLCAKIMKSA-N	311.411	1.183	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1NC(=O)NNc1ccc(-n2cccn2)nn1	132394509	LWIXDLZMAUYGHE-NEPJUHHUSA-N	315.381	1.867	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cc3occc3[nH]2)c1O	138104948	WXYOPJFUQKZFGK-UHFFFAOYSA-N	315.285	1.550	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H](C)NC(=O)CC(C)(C)C)n1	187790806	CUEMUJCHQQJZJM-NSHDSACASA-N	307.398	1.477	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)c1ccc(Cl)nc1)c1ccccc1	77249475	ZEZXVTQPQMXWGU-CYBMUJFWSA-N	319.748	1.884	50	20	DDGD	
CCOc1ccc(-c2noc(CCC(=O)NNC(C)=O)n2)cc1	74289368	IBTNEXKRQGIYSF-UHFFFAOYSA-N	318.333	1.235	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cccc(Cl)c1Cl	49167532	SBNLLWNKKOXIGS-UHFFFAOYSA-N	320.176	1.974	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2ccnc(F)c2)cc1	132895523	QWTXJULKBYMQIN-UHFFFAOYSA-N	317.320	1.623	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1c[nH]c2cccc(F)c12	185199331	PLBHAGCMTQGYFF-MRVPVSSYSA-N	313.354	1.663	50	20	DDGD	
CC[C@H]1CCC[C@@H]1NC(=O)NNC(=O)Cn1nc(C)cc1C	132131992	JDSVKEZJJZXHQW-STQMWFEESA-N	307.398	1.409	50	20	DDGD	
C[C@@H](C(=O)NNc1c(Cl)cccc1Cl)S(C)(=O)=O	133006341	DJQLPOXUAGOGDY-LURJTMIESA-N	311.190	1.870	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H](C)Oc2cccc(F)c2)n1	46365887	UFBVYEVGOMRVPR-VIFPVBQESA-N	306.297	1.535	50	20	DDGD	
O=C(NNC(=O)c1cc(Br)c[nH]1)Nc1ccccn1	48347583	KQTABSGJDARASM-UHFFFAOYSA-N	324.138	1.639	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)cc1C#N	132474187	SHKIQACOCQLRMV-OWTLUSIOSA-N	311.341	1.769	50	20	DDGD	
COC(=O)NNC(=O)[C@H](C)Oc1ccc(Br)cc1	192589671	QTWQGRHULXKBIK-ZETCQYMHSA-N	317.139	1.604	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc2sc(N(C)C)nc2s1	49164279	VZCRSAAQXZDXTB-UHFFFAOYSA-N	313.408	1.388	50	20	DDGD	
CCOc1ccccc1NC(=O)C(=O)NNc1ccnc(F)c1	190302713	NRQKAPJXYZRLSY-UHFFFAOYSA-N	318.308	1.701	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2c(C)noc2C2CC2)n1	133065196	FQPSRQLPKNESHJ-UHFFFAOYSA-N	303.322	1.724	50	20	DDGD	
COc1nccnc1NNC(=O)c1cncc(Br)c1	131948763	YLPGLBMTVBZVNC-UHFFFAOYSA-N	324.138	1.400	50	20	DDGD	
Cc1nc(NC(=O)C(=O)NNc2cccc(F)c2)sc1C	193344349	LGMCVABRAYDBAF-UHFFFAOYSA-N	308.338	1.981	50	20	DDGD	
COc1ccc(F)cc1C(=O)NNC(=S)N[C@@H](C)C1CC1	83677245	YFZHFXGEYVNAPL-QMMMGPOBSA-N	311.382	1.742	50	20	DDGD	
CC(=O)CC(C)(C)CC(=O)NNC(=O)c1ccc(Cl)nc1	191748302	BOADWXCXULCBDG-UHFFFAOYSA-N	311.769	1.891	50	20	DDGD	
COCCn1nc(C)c(NC(=O)NNc2cnccn2)c1C	90154766	QGDPHQYRIVUELS-UHFFFAOYSA-N	305.342	1.085	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H](C)C(=O)N(C)C)cccc1[N+](=O)[O-]	263953205	FBWBVLIMLMLNJT-VIFPVBQESA-N	309.326	1.006	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCc2ccncc2)n1	268592991	FDKNKMDXEYFIBR-UHFFFAOYSA-N	302.338	1.057	50	20	DDGD	
O=C(NCC1CCSCC1)NNc1ccc(Cl)nn1	265099125	SQKIVOQMNZXACE-UHFFFAOYSA-N	301.803	1.899	50	20	DDGD	
Cc1nn(CC(F)(F)F)cc1C(=O)NNC(=O)C1CCC1	268642353	DRXYMMKJEIPTFD-UHFFFAOYSA-N	304.272	1.315	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CC[C@@H]([C@H](C)O)C2)cc(C#N)n1C	273051931	WWNHSCURTFEABW-CJUFTESMSA-N	312.373	1.341	50	20	DDGD	
COC(=O)CCCC(=O)NNC(=O)CCc1ccc(OC)cc1	274076034	KWZGKRBCBLMZCT-UHFFFAOYSA-N	322.361	1.119	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H](CO)CC1CCC1	279915329	FTYKNOSXGGHGIT-OWTLUSIOSA-N	300.358	1.966	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc2c(c1)CCCC(=O)N2	362318830	LZQXFJJXGDSXLS-UHFFFAOYSA-N	306.322	1.744	50	20	DDGD	
CC(=O)Nc1ccc(OC[C@H](O)CN2CC=C(C#N)CC2)cc1	272677207	RGOMWPOAYVVXEG-MRXNPFEDSA-N	315.373	1.540	50	20	DDGD	
COCC[C@H](NC(=O)NNC(=O)c1ccc[nH]1)c1ccc(C)o1	272483552	JQZWRRZTTHKLRP-NSHDSACASA-N	320.349	1.638	50	20	DDGD	
O=C(CCC(=O)c1ccccn1)NNC(=O)NC1CCCCC1	274455726	JLDXIKRBZIIQQP-UHFFFAOYSA-N	318.377	1.708	50	20	DDGD	
CC(C)[C@H]1C[C@H](NC(=O)NNc2ccc(Cl)nn2)CCO1	271490121	JFUFCKDWUJAPSC-NXEZZACHSA-N	313.789	1.960	50	20	DDGD	
CC(=O)NNC(=O)Nc1cccc([C@@H](C)N2CCOCC2)c1	274208718	PRJKEBZLSFOKPM-LLVKDONJSA-N	306.366	1.252	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc2c(c1)NC(=O)CC2	273449308	FSHXWODKZVMXHP-UHFFFAOYSA-N	304.350	1.770	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H](C)CCc2ccco2)n1	279648592	MLBUQHHTINXKQT-GFCCVEGCSA-N	316.361	1.948	50	20	DDGD	
Cn1cc([C@H]2OCC[C@@H]2C(=O)NNC(=O)CC(C)(C)C)cn1	275546365	NBUUCTVBIFNWCS-WCQYABFASA-N	308.382	1.081	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@@H]1CC12CCOCC2	375855476	ATKPIAUWZVXBAV-AWEZNQCLSA-N	313.357	1.788	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCC1=CCCOC1)c1ccccc1	287854734	CQDZPGWHHOYLIA-OAHLLOKOSA-N	317.389	1.857	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NC[C@@H](CO)[C@H]1CCOC1	281703068	HGBXLAPIHKLJEM-KMISQAIXSA-N	318.348	1.494	50	20	DDGD	
COCCN(C)NC(=O)CC[C@@H]1Cc2ccccc2NC1=O	288490039	SRMRQZFMLKRSPA-CYBMUJFWSA-N	305.378	1.187	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1	288463601	QGJKTOJQOYUQMN-MRXNPFEDSA-N	323.412	1.790	50	20	DDGD	
CSSCCNC(=O)N1CCO[C@]2(CCO[C@H]2C)C1	375127937	JKLNTDQBVPESHI-CMPLNLGQSA-N	306.453	1.587	50	20	DDGD	
CC(=O)N1CCC[C@@H](CNC(=O)NNc2cccc(F)n2)C1	288412583	BECXMLTWLOOVKR-NSHDSACASA-N	309.345	1.105	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1C[C@H]1c1cc(OC)ccc1OC	293583385	JWUGXOGYYQXUQS-JSGCOSHPSA-N	308.378	1.417	50	20	DDGD	
COc1ccc(C)cc1CCNC(=O)NNC(=O)[C@@H]1CCCO1	291662797	LQENQALZWIYOCZ-AWEZNQCLSA-N	321.377	1.056	50	20	DDGD	
O=C(NCC(Cl)Cl)c1cn(Cc2ccccn2)nn1	294178769	CSSAMOUIRATSCB-UHFFFAOYSA-N	300.149	1.255	50	20	DDGD	
CC(C)N(C)C[C@@H](C)NC(=O)NNC(=O)Cc1ccc(F)cc1	290807592	ASEWSFQEPQPPKK-GFCCVEGCSA-N	324.400	1.427	50	20	DDGD	
CCc1cccc(S(=O)(=O)NNC(=O)[C@H]2CCCCO2)c1	296528423	CSYREMMAHYOMPC-CYBMUJFWSA-N	312.391	1.128	50	20	DDGD	
C[C@@H](CCc1ccccc1)NC(=O)NNC(=O)[C@H]1CCCCO1	296338870	YRFYSJRVXGFGRS-DZGCQCFKSA-N	319.405	1.907	50	20	DDGD	
Cc1nn(Cc2ccccc2)c(N)c1C(=O)NNc1cnccn1	803119017	MILOWMHFXJXIJD-UHFFFAOYSA-N	323.360	1.369	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NNC(=O)NC2CC2)cc1	299259572	TXXPWWPSNDNDQI-FMIVXFBMSA-N	314.345	1.485	50	20	DDGD	
Cc1ccccc1-n1cc(C=NNC(=O)CC(F)(F)F)nn1	807964723	SIVXOVDTBPNJFC-UHFFFAOYSA-N	311.267	1.978	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)N[C@H]1CC1(C)C	299059540	KSQNHLDXMXZASG-SKDRFNHKSA-N	309.341	1.722	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2cccn2C)cnn1C(C)(C)C	298757221	XAUATGYWETYULT-UHFFFAOYSA-N	317.393	1.614	50	20	DDGD	
CCCS(=O)(=O)CC(=O)Oc1ccc([N+](=O)[O-])cc1OC	299692372	RSRAVUJLKXQRBX-UHFFFAOYSA-N	317.319	1.334	50	20	DDGD	
COc1cc(F)c(F)cc1NC(=O)NNC(=O)[C@@H]1CCCO1	297298216	GAVVNFMJKGNRKY-JTQLQIEISA-N	315.276	1.305	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cn(-c3ccccc3C)nn2)n[nH]1	807960306	FDNFTEOAQISCED-UHFFFAOYSA-N	323.360	1.300	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802107358	RGWZTOSDIBWGOG-CQSZACIVSA-N	309.322	1.119	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N2CC[C@@H](n3cccn3)C2)cc1	291889575	QQAYHELIUPPIAK-CQSZACIVSA-N	324.344	1.056	50	20	DDGD	
CCc1ccc(NC(=O)NNC(=O)N2CCN(C)CC2)cc1	808471190	XVTYRVDZJMWISR-UHFFFAOYSA-N	305.382	1.243	50	20	DDGD	
CC[C@H](C)CONC(=O)NNC(=O)COc1cc(C)ccc1C	291949893	VJKNCTPTYCAMKJ-NSHDSACASA-N	323.393	1.990	50	20	DDGD	
COC1(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)CCCC1	803430181	AKJPVOUOHMYBHI-UHFFFAOYSA-N	301.346	1.930	50	20	DDGD	
CSSCCNC(=O)N1CCC(C2OCCO2)CC1	807234149	ZMYTVHRESBROGQ-UHFFFAOYSA-N	306.453	1.792	50	20	DDGD	
C[C@H](CN1CCCCC1)NC(=O)NNC(=O)c1ccccc1F	298711742	JIDXRSZQPQPIRI-GFCCVEGCSA-N	322.384	1.644	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@]12CCOc1ccccc12)[C@@H]1CCCO1	292144871	MWSJHUUCEIUVPE-JDFRZJQESA-N	316.357	1.053	50	20	DDGD	
CSC1(C(=O)NNc2ccc(-n3ccnc3)nn2)CCC1	804958322	SAXSIMYVSVMOPD-UHFFFAOYSA-N	304.379	1.391	50	20	DDGD	
CSCC(C)(C)C(=O)NNc1ccccc1S(C)(=O)=O	800518225	YWRPFPICEZQGJT-UHFFFAOYSA-N	316.448	1.922	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N2CC[C@@]3(CCN(C)C3)C2)s1	293072834	UIIWOFANJJAVHU-OAHLLOKOSA-N	322.434	1.439	50	20	DDGD	
O=C(NNc1ncccc1F)c1ccccc1N1CCOCC1	804219312	GKGRHXBGVUFETF-UHFFFAOYSA-N	316.336	1.814	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2cccc3c2OCCO3)O1	292743228	WFVIGXCZEWNOCQ-CABZTGNLSA-N	321.333	1.178	50	20	DDGD	
CC(=NNC(=O)Cc1ccncc1)c1cnnn1-c1ccccc1	807975059	FGIOEXNEZRJUDA-UHFFFAOYSA-N	320.356	1.745	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2ccnnc2)cc1C	812715995	FRJLHXIMLNLFOU-UHFFFAOYSA-N	300.318	1.719	50	20	DDGD	
CNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F	815100605	HUYWGGGIMPXJLA-UHFFFAOYSA-N	306.200	1.187	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1c(Cl)nc2sccn12	814956772	DCKOWKRHXIDNHH-UHFFFAOYSA-N	322.781	1.855	50	20	DDGD	
C[C@@H]1C(=NNC(=O)C(=O)NC2CC2)CCN1Cc1ccccc1	811636960	QOIRBCAZNIEBPE-GFCCVEGCSA-N	314.389	1.032	50	20	DDGD	
CCC[C@H](CC1CCCC1)C(=O)NNC(=O)N1CCN(C)CC1	819720747	GEKLAQWVELMITG-OAHLLOKOSA-N	324.469	1.971	50	20	DDGD	
CN(NC(=O)c1ccc(CSc2nc[nH]n2)cc1)C1CC1	819644040	YZTHTMWNZBZECZ-UHFFFAOYSA-N	303.391	1.836	50	20	DDGD	
O=C1CNC(=O)c2ccc(C(=O)NNc3ccccc3)cc2N1	815849585	GPZPMJHPLRNZMG-UHFFFAOYSA-N	310.313	1.125	50	20	DDGD	
CC(C)(C(=O)NN=c1cc[nH]cc1)c1ccccc1[N+](=O)[O-]	816011009	DBSGHFPESQYVAM-UHFFFAOYSA-N	300.318	1.833	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H]2CCc3nncn3C2)cc1	817925631	JVRZQOQDLDELKX-NSHDSACASA-N	301.350	1.383	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)Cc2ncc[nH]2)c1C	816821172	PQDPSISYONROIO-GFCCVEGCSA-N	316.361	1.184	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)nc(N)n1	828372222	VAEKJJVJLJOTCR-GXSJLCMTSA-N	319.315	1.892	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cnn(-c2ccc(F)cc2F)c1C	496341323	HVGMLZKVYQCRKC-UHFFFAOYSA-N	324.287	1.802	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1	823945927	AOCWEFATKUPWNZ-SSDOTTSWSA-N	321.255	1.571	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C#CC2CC2)cc1F	822648548	BDKNYUHPQBNNFK-UHFFFAOYSA-N	307.350	1.565	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H](CO)CC(F)(F)F	491177085	UFMKKPCJHYWNLD-VQNWOSHQSA-N	314.263	1.729	50	20	DDGD	
CCN(CCO)NC(=O)C1CCC(OC[C@@H]2CCCO2)CC1	823889309	QSNRMALWADRHIR-NRXISQOPSA-N	314.426	1.086	50	20	DDGD	
CCCN(NC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)OC(C)(C)C	495760223	NTBBWXFOIWNRDO-JTQLQIEISA-N	320.411	1.099	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)CCc1ccc(Cl)cc1	496903596	RNOOULDNTPGFNI-UHFFFAOYSA-N	306.771	1.463	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccc2c(c1)CCNC2=O	824315835	APFTVSVFVIHIFA-UHFFFAOYSA-N	320.349	1.534	50	20	DDGD	
CC(C)n1cc(Br)cc1C(=O)NN(C)[C@@H](C)CO	823951142	IGSYFVDKVGIBOB-VIFPVBQESA-N	318.215	1.789	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@H]1C[C@H](c2ccccc2)OC1=O	496512068	KSVJFEDBCKKSHU-VXGBXAGGSA-N	320.345	1.847	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)CC(F)(F)F)cc(O)n1	823368663	MPNZVHKVDQTGQL-UHFFFAOYSA-N	305.256	1.453	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C2CSC2)cc1F	822652032	CALWZYOQGILLME-UHFFFAOYSA-N	315.395	1.515	50	20	DDGD	
COC(=O)N(C)NC(=O)c1c[nH]nc1-c1c(F)cccc1F	495693539	PMBGDBSGUNGLOC-UHFFFAOYSA-N	310.260	1.698	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NOC/C=C\Cl)cc(C#N)n1C	491011496	OZLCYDQYQYZPOR-PRIXUFLXSA-N	304.737	1.912	50	20	DDGD	
COc1cccc([C@@H]2C[C@H]2CNCc2ccccc2B(O)O)c1	585046322	PTFXSFBJYSLJLB-RDJZCZTQSA-N	311.190	1.268	50	20	DDGD	
CCO/C=C\C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	492836382	JSQKALMJOCXCRM-ASCRHOAZSA-N	306.362	1.768	50	20	DDGD	
CCc1c(C(=O)NN(C)[C@@H](C)CO)cnn1Cc1ccccc1	823970702	JIWUUHBMCFCPNR-ZDUSSCGKSA-N	316.405	1.451	50	20	DDGD	
N#C/C(=C/c1cnccn1)C(=O)NCc1ccc(F)c(F)c1	491011412	OVBLAKBMGTVSEV-WDZFZDKYSA-N	300.268	1.978	50	20	DDGD	
COc1ccc(CC[C@@H](C)NCc2ccc(B(O)O)cc2)cc1	585019639	QFQAGEANUZRBPP-CQSZACIVSA-N	313.206	1.486	50	20	DDGD	
O=C(c1ccccc1)c1ccccc1C(=O)N1CC[C@H](B(O)O)C1	585072330	LUDNECNLZWSXEL-AWEZNQCLSA-N	323.157	1.607	50	20	DDGD	
CCN(CCO)NC(=O)c1ccccc1NC(=O)OC(C)(C)C	823870021	WDELZTMAPSRXCI-UHFFFAOYSA-N	323.393	1.993	50	20	DDGD	
CC[C@@H](C)[C@@H](NNC(=O)c1ccc(OC)cc1OC)C(=O)OC	905759247	JMSYIHYVKWYBFR-QMTHXVAHSA-N	324.377	1.526	50	20	DDGD	
COC[C@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2nn[nH]n2)s1	821682670	LHQZKNJYMSSOJD-MOIHINDBSA-N	319.346	1.413	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H](O)c1cccnc1)c1ccccc1	732291220	CDKVSRLEMRFDHY-LSDHHAIUSA-N	313.357	1.456	50	20	DDGD	
O=C(c1c2c(nc3ccccc13)CCC2)N1CC[C@H](B(O)O)C1	585070521	YVDBVLBJEALDGO-NSHDSACASA-N	310.162	1.412	50	20	DDGD	
CC(=O)NC[C@H](CC(=O)NNC(=O)c1ccccn1)CC(C)C	822122671	VXNUGWXKYOXUPP-ZDUSSCGKSA-N	320.393	1.031	50	20	DDGD	
O=C(CCc1cccs1)NNC(=O)COc1ccccc1O	730782729	ULYJIPKCFARPPV-UHFFFAOYSA-N	320.370	1.613	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1Cc2ccc(C(=O)O)cc2C1	736242284	VGNZBNUFICQVIU-UHFFFAOYSA-N	305.334	1.487	50	20	DDGD	
Cc1cc([C@@H]2CCCN2[C@@H](C)C(=O)NNC(=O)CC(C)C)on1	732197056	BJGJHZMSQLUKOX-STQMWFEESA-N	322.409	1.702	50	20	DDGD	
Cn1c(=O)oc2cc(NC(=O)NNC(=O)C(C)(C)C)c(F)cc21	839163107	DZVFLIIIAFSMJE-UHFFFAOYSA-N	324.312	1.469	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H]1CCCC(=O)N1C)c1ccccc1	906643954	YMNHAQRZDSEBHX-KGLIPLIRSA-N	317.389	1.339	50	20	DDGD	
CN(NC(=O)CN1CSCCSC1)C(=O)OC(C)(C)C	909936542	UVQUSSKJCIPDCQ-UHFFFAOYSA-N	321.468	1.582	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@H](C)C[C@H](C)N)c1ccccc1	831212808	WEIRBMHUCPEQAL-SCRDCRAPSA-N	306.410	1.636	50	20	DDGD	
Cc1nc(CCOC(=O)/C(C#N)=C/c2cnn(C)c2)cs1	837971450	OLLARSNMEXWSDX-LFYBBSHMSA-N	302.359	1.878	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CCCCO2)cc(OC)c1O	834989940	LQOLUFLJWFRMOE-LLVKDONJSA-N	308.334	1.429	50	20	DDGD	
Cc1ncc(CO)c(C=NNC(=O)Cc2ccccc2F)c1O	731316978	RYSLAMXYWLVVJT-UHFFFAOYSA-N	317.320	1.420	50	20	DDGD	
OB(O)c1ccccc1CN[C@H]1CCCN(c2ccccc2)C1	585029733	SOFWQLGHCRDVHC-INIZCTEOSA-N	310.206	1.125	50	20	DDGD	
CCON1CCC(CC(=O)NNC(=O)c2cccc(C)n2)CC1	834814920	FOHLFDNFNVMXME-UHFFFAOYSA-N	320.393	1.205	50	20	DDGD	
Cc1ccc(C(=O)O)cc1S(=O)(=O)N1CC=C(C#N)CC1	906924125	BSVYJLSTBFTRIS-UHFFFAOYSA-N	306.343	1.538	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H](C)C(C)(C)C)cc1	734623547	TYNNULRSOFYKNB-LBPRGKRZSA-N	320.389	1.981	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cc3c(cn2)CCC3)o1	836702322	MXLZVDHNLUYTQR-UHFFFAOYSA-N	300.318	1.938	50	20	DDGD	
COCCC1(CNCc2ccc(B(O)O)cc2F)CCCC1	585029460	AEETXRKEWZFLEF-UHFFFAOYSA-N	309.190	1.192	50	20	DDGD	
CC(C)(O)CN1CCN(C(=O)[C@@]2(C)C[C@@H]2Br)CC1	906602850	TXBIBSNQCMXHTR-GWCFXTLKSA-N	319.243	1.075	50	20	DDGD	
Cc1nnc(NNC(=O)C[C@H](C)C(=O)c2ccccc2)nc1O	732828648	OVFZLBIJJRBGMS-VIFPVBQESA-N	315.333	1.238	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNC(=O)c1ccc(Cl)cc1	839466291	AAWGETRSVNLWKW-LLVKDONJSA-N	312.753	1.690	50	20	DDGD	
O=S(=O)(CCl)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1	830206111	FTVFJMLPZORLED-SECBINFHSA-N	324.780	1.907	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1Cl)C1(n2cnnn2)CC1	830797247	LNNCZXRAFKHODN-UHFFFAOYSA-N	313.148	1.612	50	20	DDGD	
O=C(Cc1cccc(C(=O)O)c1)NNC(=S)NCC1CCC1	833765559	FMIHDXSCAZYKQT-UHFFFAOYSA-N	321.402	1.223	50	20	DDGD	
CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(Cl)Cl	837652129	XUBHHFZLKQZCSY-LBPRGKRZSA-N	315.200	1.880	50	20	DDGD	
CCC/C=C/C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1	730077176	MTXBIHAILYVHIY-SNAWJCMRSA-N	323.418	1.927	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cn(-c2ccc(Cl)cc2)nn1	914756414	SFCWOFKQPLMTGM-UHFFFAOYSA-N	321.768	1.728	50	20	DDGD	
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NN(C)C[C@H](C)O	910161577	WLGVQQURJCLPED-WCQYABFASA-N	309.366	1.507	50	20	DDGD	
CC(C)[C@]1(C)C[C@@H]1NC(=O)NNc1ccc(-n2cccn2)nn1	838768228	ZIWCTANBLZZREN-NHYWBVRUSA-N	315.381	1.723	50	20	DDGD	
CCN(CC)CCC(=O)NNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2	916126837	MBIOSALXJMCMGO-RWMBFGLXSA-N	312.483	1.402	50	20	DDGD	
Cc1noc(C)c1CCC(=O)NNc1ccc(C(=O)O)cn1	833757637	JTJOXODFZVNUSD-UHFFFAOYSA-N	304.306	1.461	50	20	DDGD	
Cn1ncc2cc(C(=O)NNc3cccc([N+](=O)[O-])c3)cnc21	748000438	OWNCPUYOEPYZJG-UHFFFAOYSA-N	312.289	1.633	50	20	DDGD	
C[C@H]1CC(=NNC(=O)CNC(=O)c2cccnc2)C[C@H](C)C1	747765679	HTTOVSDGISDZTL-VXGBXAGGSA-N	302.378	1.740	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)C2CC=CC2)c1	745095248	XFRIJTMFEQTLOK-UHFFFAOYSA-N	302.330	1.265	50	20	DDGD	
CNC(=O)NNC(=O)c1c(C)nc(-c2ccco2)nc1SC	747365880	QJTPDTWEMHAIEV-UHFFFAOYSA-N	321.362	1.341	50	20	DDGD	
CC(=O)N1C[C@@H](C(=O)NNc2ccccc2)Oc2ccccc21	919182359	NQUMBRYKUQGJKG-INIZCTEOSA-N	311.341	1.944	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cn(C)c2ccc(F)cc12	843970280	DBIODOWCLTWNTL-MWLCHTKSSA-N	319.336	1.503	50	20	DDGD	
Cc1ccc(C)c(C2=NO[C@H](C(=O)NN(C)C[C@@H](C)O)C2)c1	910184252	YOSXJNYZNQVOHY-DOMZBBRYSA-N	305.378	1.140	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H]2CCCN3CCCC[C@H]23)n1	848675219	UGXBILUDMHRPQU-QWHCGFSZSA-N	319.409	1.733	50	20	DDGD	
C[C@@H](C#N)C(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1	748522780	GIXIBHKCFQGJDD-ZETCQYMHSA-N	321.280	1.583	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1c(C)nc([C@@H](C)CC)nc1C	847687735	VUYSHQHKGLYPHB-JTQLQIEISA-N	321.425	1.842	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(Cl)ncc1Cl	843655727	KXDOJVNXBIJCGY-RNFRBKRXSA-N	318.160	1.574	50	20	DDGD	
CC(=O)NNC(=O)c1ccc2c(C)nn(-c3ccccc3)c2n1	918400135	ZLRIOICZAFFMRX-UHFFFAOYSA-N	309.329	1.510	50	20	DDGD	
Cc1ncc2n1C[C@H](C(=O)NNc1ncc(F)cc1F)CC2	846251291	GTOBQFTUXQSLHW-SECBINFHSA-N	307.304	1.570	50	20	DDGD	
Cc1cc(Cl)ccc1C(=O)NNC(=O)CN1CCCC1=O	913731813	XNBYFVURXSQRMM-UHFFFAOYSA-N	309.753	1.032	50	20	DDGD	
CC1CCN([C@H](C)CNC(=O)NNC(=O)C2CCCC2)CC1	743333928	GYYOQTRQEXUUHK-CYBMUJFWSA-N	310.442	1.627	50	20	DDGD	
Cc1csc([C@@H](C)C(=O)NNC(=O)NCC(F)(F)F)n1	847117949	ZIOSHYHAKIMPSD-LURJTMIESA-N	310.301	1.448	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)C[C@H]2CCCO2)cc1	845076038	JUXUAHWYHMIGAY-CYBMUJFWSA-N	323.418	1.972	50	20	DDGD	
CC(=NNC(=O)Cn1nc(C)cc1C)c1cccc2c1OCO2	841609527	BCIHBUDBXQALLX-UHFFFAOYSA-N	314.345	1.769	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H](C)Cc1ccc(C#N)cc1	847100970	XLKXTPOKZHLCBX-XUJVJEKNSA-N	315.373	1.309	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=Cc2ncnn2C)cc1	842520939	VXHAPQQQZZUHNR-NSHDSACASA-N	317.349	1.131	50	20	DDGD	
CSC1(CNC(=O)NNC(=O)CC(C)(C)C)CCOCC1	745868732	PNJYIDNHNIVVIM-UHFFFAOYSA-N	317.455	1.665	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cccc(N(C)C)c1)[C@@H]1CCOC1	743654489	HKLREACXVZKUIS-WCQYABFASA-N	320.393	1.122	50	20	DDGD	
CN(C)c1ncccc1C(=O)NNc1cccc([N+](=O)[O-])c1	748002526	PSWVOVIAGJKENI-UHFFFAOYSA-N	301.306	1.813	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccccc1	843276353	BGNAAOZKZZDLTL-DMDPSCGWSA-N	307.419	1.668	50	20	DDGD	
CO[C@H](C=NNC(=O)c1cn(C)c2ccccc12)[C@@H]1CCOC1	841617579	YWIJDAUWPRBXOH-MLGOLLRUSA-N	315.373	1.945	50	20	DDGD	
C[C@@H](Cc1cnc[nH]1)C(=O)NN=c1sc2ccccc2n1C	847314872	AHWMYCGQXFEVFD-JTQLQIEISA-N	315.402	1.774	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CCN(C)[C@@H]2C)cc1	843880492	PVHNDSWJDJVLGN-ZWNOBZJWSA-N	306.366	1.188	50	20	DDGD	
COC(=O)CCC(C)=NNC(=O)Cc1nc2ccccc2n1C	756875977	DUFOVOIWTGLLOC-UHFFFAOYSA-N	316.361	1.561	50	20	DDGD	
C#CCN1CCC(C(=O)NC[C@]2(C)C[C@H]2Br)CC1	857400279	HMYDENPPFMBNSG-OCCSQVGLSA-N	313.239	1.621	50	20	DDGD	
CC(C)C[C@H]1COCCN1C(=O)NNC(=O)c1cccc(F)n1	852709822	GEOGRBNMHSGNND-NSHDSACASA-N	324.356	1.322	50	20	DDGD	
CCC(=O)c1cc(C(=O)NNc2nnc(C)c(O)n2)ccc1F	757731260	BPCYMFWVUXIIGN-UHFFFAOYSA-N	319.296	1.374	50	20	DDGD	
COCCN1CC[C@H](NC(=O)NNc2cc(F)ccc2C)C1	853766615	CWDPLGVPWNDMEV-ZDUSSCGKSA-N	310.373	1.481	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc([N+](=O)[O-])cc1F)[C@H]1CCOC1	853788396	WIGFQIQPXROEFJ-BDAKNGLRSA-N	312.301	1.785	50	20	DDGD	
C[C@@H](CCNC(=O)NNc1ncccn1)NC(=O)OC(C)(C)C	856991865	ABIZKYJGBOBREP-JTQLQIEISA-N	324.385	1.406	50	20	DDGD	
COC(=O)c1ccc(NC[C@@]2(C)C[C@H]2Br)nn1	856786153	ODRYZENCOJBSAN-LDYMZIIASA-N	300.156	1.849	50	20	DDGD	
CCNC(=O)NN=Cc1c(C)nn(C)c1OCC(F)(F)F	756835222	ULQCOJZSHVXTBV-UHFFFAOYSA-N	307.276	1.323	50	20	DDGD	
CCCCc1nnc(NC(=O)NNC(=O)c2cc[nH]n2)s1	854194993	WATHDTWTGWYPJF-UHFFFAOYSA-N	309.355	1.070	50	20	DDGD	
O=C(NNC(=S)NC12CC3CC(CC(C3)C1)C2)NC1CC1	751002586	HIOJUAYAXBVFEK-UHFFFAOYSA-N	308.451	1.796	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C[C@@H]1C(=O)Nc2c(F)cccc21	929186621	GWFLPIRMAHNJSD-VIFPVBQESA-N	323.324	1.807	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NCC2CC=CC2)cc1	858718319	OVFXIGJIGVWBEU-UHFFFAOYSA-N	317.389	1.924	50	20	DDGD	
CC[C@@H](C)c1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1	755269264	WUGWXCQOBUNFTR-GFCCVEGCSA-N	317.389	1.584	50	20	DDGD	
CO[C@H](CNC(=O)NNc1ccc(Cl)cn1)C(F)(F)F	852104595	CSNGEZORVNWUDM-SSDOTTSWSA-N	312.679	1.938	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc2c(c1)CCOC2)C1CC1	855096153	VWIHPUJMUDOZHJ-JTQLQIEISA-N	319.430	1.667	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)c2cnn(C)c2)cnn1CC(C)C	757802596	WBBBYIFAQOLIFG-UHFFFAOYSA-N	319.369	1.048	50	20	DDGD	
Cn1nc(NC(=O)NNc2ncc(Cl)cn2)cc1C1CC1	856871359	XKTIPILEJIICAU-UHFFFAOYSA-N	307.745	1.890	50	20	DDGD	
C=C[C@@](C)(O)C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	854218931	XRLGAUMESGXNDH-MLGOLLRUSA-N	306.362	1.155	50	20	DDGD	
CN(C)[C@@H](C(=O)NNc1cnnn1C)c1ccc(Cl)cc1	857269726	GHNJEHQQSCSFDI-GFCCVEGCSA-N	308.773	1.215	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855834376	SNWAGLHJXAOMBB-OAHLLOKOSA-N	310.398	1.016	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1ccc(O)c(OC)c1	757465360	MUXRFRQHFXVTSR-NSHDSACASA-N	310.350	1.293	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)C=C2CCC2)c1	756734970	VLUPRVHGBNJQJL-UHFFFAOYSA-N	302.330	1.410	50	20	DDGD	
O=C(NCC1=CCCC1)NNC(=O)c1ccc2c(c1)OCCO2	852634337	MFCBYRBGZOWSFU-UHFFFAOYSA-N	317.345	1.512	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NN=C1CCCn2nccc21	853330363	MOHRWCRKGIEWIO-UHFFFAOYSA-N	321.381	1.412	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNC(=O)c1cc(Cl)ccc1O	759071875	OOWHUCATKINNBV-ZETCQYMHSA-N	314.725	1.006	50	20	DDGD	
O=C(NCc1ccco1)NN=Cc1n[nH]nc1-c1ccccc1	755669576	YASTUUOBKOKXMU-UHFFFAOYSA-N	310.317	1.898	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CCCc2cccnc21	927380023	YFVNDBHWRWMEBN-WCFLWFBJSA-N	318.377	1.214	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2c(C)nc3ccccn23)cn1	757732465	GEUILUUFWUNFFR-UHFFFAOYSA-N	324.344	1.813	50	20	DDGD	
CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@]1(C)C[C@H]1Br	857690274	ZCPMWJGQFFHGGW-LOWVWBTDSA-N	319.243	1.827	50	20	DDGD	
C[C@]1(CNCc2cnc3n2CCOC3)C[C@H]1Br	922273573	WZUQIODQKUTQKW-ZYHUDNBSSA-N	300.200	1.676	50	20	DDGD	
COc1ccnc(NNC(=O)c2cccc(C(F)(F)F)n2)n1	857436433	BOFWNLBGTFIFFM-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
CC(=O)NNC(=O)[C@@]1(C)CC1(Br)Br	854155805	VIOUUGJXBUWXOH-ZCFIWIBFSA-N	313.977	1.050	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1cnn(CC(C)C)c1	756803809	UXZITDYFGNHWDX-UHFFFAOYSA-N	305.342	1.037	50	20	DDGD	
C[C@@]1(CNC(=O)NOCC(F)(F)F)C[C@H]1Br	856844652	WOUJVISVCFXTPM-VDTYLAMSSA-N	305.094	1.953	50	20	DDGD	
O=C(NN=Cc1cccc(F)c1O)c1cc([N+](=O)[O-])ccc1O	755749013	FYLAJIAQLKXNIE-UHFFFAOYSA-N	319.248	1.909	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NC[C@]1(C)C[C@@H]1Br	857734916	XAGKAKSKXXYPII-AUTRQRHGSA-N	320.231	1.503	50	20	DDGD	
CC[C@]1(COC)NC(=O)N(C[C@]2(C)C[C@H]2Br)C1=O	857227065	FOPYTYIZDZIAIW-JFUSQASVSA-N	319.199	1.507	50	20	DDGD	
C[C@H]1CC(=NNC(=O)CCCNC(=O)C(C)(C)C)C[C@@H](C)O1	853408293	PRRSFSFYSYBJEO-TXEJJXNPSA-N	311.426	1.989	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)OCC(F)(F)F)cc1O	856019223	RUNGUXOSXNVPBN-UHFFFAOYSA-N	320.223	1.528	50	20	DDGD	
O=C(NNc1ccncn1)C1CCN(CC(F)(F)F)CC1	857520163	OPXBUMHWWWJFPC-UHFFFAOYSA-N	303.288	1.194	50	20	DDGD	
C=C(C)[C@H](CC(=O)NNC(=O)c1cccc(C#N)c1)OCC	755859259	UBWYSPDWZZYWHO-AWEZNQCLSA-N	301.346	1.691	50	20	DDGD	
COC(=O)NNC(=O)Nc1cnc(C)c(Br)c1C	932788828	JXQBGICMBDTUPX-UHFFFAOYSA-N	317.143	1.853	50	20	DDGD	
COc1cc(C(=O)NN=c2cc[nH]c(C)c2)cc2c1OCCO2	862509357	KHRLMUDPMSAHJR-UHFFFAOYSA-N	315.329	1.349	50	20	DDGD	
Cc1cc(NNC(=O)CCc2cnn[nH]2)ccc1Br	866875235	WMJHKYAYWNCRPU-UHFFFAOYSA-N	324.182	1.952	50	20	DDGD	
C/C(=C/c1ccccc1Cl)C(=O)NNC(=O)[C@H]1CCC(=O)N1	862457559	LJERTFNLOCYKOT-JLVNDZCYSA-N	321.764	1.169	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)Cc1ccccc1OC)C1CC1	861765667	WQCSDBZRAMCSGZ-HNNXBMFYSA-N	306.362	1.200	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)OC[C@@H]2COC(=O)O2)cc(C#N)n1C	763911181	SNQOFSSNSJZXBF-BXVXIVLCSA-N	315.285	1.191	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2[C@H](C)O[C@H](C)[C@@H]2C)nc1	860445960	JLURWKQKWMYWLT-WJZNIJOASA-N	307.350	1.371	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(-c3cnn(C)c3)c2)n[nH]1	765582801	GPOHCEPTGVSQGJ-UHFFFAOYSA-N	324.344	1.193	50	20	DDGD	
COC1(C=NNC(=O)COc2cccc(C)c2)CCOCC1	761749479	WJELWDBIJUGFFI-UHFFFAOYSA-N	306.362	1.671	50	20	DDGD	
COc1cccc(NNC(=O)[C@H](O)[C@H](C)c2ccccc2F)n1	867286762	IAPIZTMCFXSQBZ-MEBBXXQBSA-N	319.336	1.837	50	20	DDGD	
CCC[C@@H](NC(=O)[C@H](Br)C(C)(C)C)c1nn[nH]n1	768245707	KHNFHWXGVLBLSP-SFYZADRCSA-N	318.219	1.967	50	20	DDGD	
Cn1nc2c(c1C(=O)NNc1ccc(Cl)nn1)CCCC2	768116127	KQSDEARIWGTLKB-UHFFFAOYSA-N	306.757	1.499	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCC(=O)N1)c1ccc(C(C)(C)O)cc1	863152793	GEQDTGXINUSTAY-CYBMUJFWSA-N	303.362	1.033	50	20	DDGD	
CN(C)CC(=O)NN=Cc1ccc(Br)c(F)c1F	863089413	SMIPYRUFKBMOAY-UHFFFAOYSA-N	320.137	1.739	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)CC(F)(F)C(F)(F)F)C1CC1	869217545	ATCBRVTYVDZNIW-RXMQYKEDSA-N	319.299	1.868	50	20	DDGD	
CCOc1nccc(C)c1C(=O)NNc1nc2ccccn2n1	765538749	DFAJKZZTICDUBH-UHFFFAOYSA-N	312.333	1.588	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1ccc(C(C)(C)O)cc1	767386883	WYEXBOMYYCSJIH-UHFFFAOYSA-N	307.350	1.110	50	20	DDGD	
O=C(NCC(Cl)Cl)C(F)C(=O)NCC(Cl)Cl	868327661	KDTJOMOJXNXHGN-UHFFFAOYSA-N	313.971	1.164	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cc(F)c(F)cc1Cl	763438840	XXJCPTAXKSDYOO-UHFFFAOYSA-N	305.668	1.114	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)C(C)(C)C(N)=O)cc2C1	767440507	LEPDMJZRUQZDPW-MRVPVSSYSA-N	323.418	1.145	50	20	DDGD	
CS(=O)(=O)Nc1ccccc1C(=O)N1CC=C(C#N)CC1	767176869	JWXGKSQCCRTENN-UHFFFAOYSA-N	305.359	1.354	50	20	DDGD	
COc1cccc(NNC(=O)[C@H](C)OCc2ccncc2)n1	867287744	XGESWPLCTCAYOR-NSHDSACASA-N	302.334	1.534	50	20	DDGD	
CCO[C@@H](C(=O)NNc1cccc(S(C)(=O)=O)c1)C1CC1	860626350	ZWGIUKVXRMZPNI-CYBMUJFWSA-N	312.391	1.348	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C2(C#N)CC(C)C2)cc1	767853536	VEVCOCLQWRCETD-UHFFFAOYSA-N	316.361	1.194	50	20	DDGD	
COc1ccccc1OC[C@@H](C)CNC(=O)NNC(=O)C(C)C	763542837	IFNCSBVYAPQRQI-LBPRGKRZSA-N	323.393	1.697	50	20	DDGD	
Cc1ccc2c(c1)[C@@H](NC(=O)NNC(=O)C1CCCC1)CO2	764374436	KAGJMERERVNYSZ-ZDUSSCGKSA-N	303.362	1.949	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2)C(F)(F)F	862319250	ZNMOPNROZODJTJ-FMGWEMOISA-N	320.233	1.914	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2cnn3ncccc23)nn1	1118825119	WYDCNAODQQGNEJ-UHFFFAOYSA-N	311.349	1.574	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1cn2ccccc2n1	768581873	WYXMMPYNLPNYEG-UHFFFAOYSA-N	312.358	1.361	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc2nccnc2c1	872355319	SKDZLILEYZOLQY-NSHDSACASA-N	302.334	1.131	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1c[nH]c(Br)c1	1116073264	WNLLQRCRXSDVFL-UHFFFAOYSA-N	309.123	1.247	50	20	DDGD	
CO[C@H]1CN[C@](C)(C(=O)NNc2ccccc2C(F)(F)F)C1	876597544	DXHFNTPKCXUFMM-RNCFNFMXSA-N	317.311	1.916	50	20	DDGD	
Cc1nccc(NC(=O)NNC(=O)c2c[nH]c3ccccc23)n1	776493757	SACOPILWXBJJDX-UHFFFAOYSA-N	310.317	1.733	50	20	DDGD	
CC[C@H](C)[C@@H](C)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	772257901	TXXYCUJSABFPAS-TUAOUCFPSA-N	300.399	1.794	50	20	DDGD	
O=C(NNc1ccccn1)[C@H]1CC(=O)N(c2ccccc2F)C1	777474415	BFEYMWBHWYVXAE-NSHDSACASA-N	314.320	1.717	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCc2ccc(C#N)cc2)cc1	1116109772	OWEVLLJPPCPOBJ-UHFFFAOYSA-N	324.340	1.711	50	20	DDGD	
Cc1cccc(NNC(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)n1	875042774	YFCXFYFKJMMXOK-ZIAGYGMSSA-N	321.425	1.515	50	20	DDGD	
C[C@H](O)c1ncc(C=NNC(=O)c2cccc(C#N)c2)s1	773053187	CDBLXTVTGLCMCA-VIFPVBQESA-N	300.343	1.832	50	20	DDGD	
Cc1nscc1C(=O)NNC(=O)c1ccc2c(c1)OCCO2	771474133	WDAXBHFZKHOTOM-UHFFFAOYSA-N	319.342	1.298	50	20	DDGD	
CCC[C@H](CC)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	879421007	ULDYHEUVUAUSCW-NSHDSACASA-N	315.414	1.875	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)C2CCC2)c(C)c1	1116532183	IQTNISSLVGEAAB-UHFFFAOYSA-N	305.334	1.734	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	770732667	FNYRANAAGOJCJL-RISCZKNCSA-N	314.345	1.058	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C(=O)C(C)(C)C)c1	874950424	RFKPJVZQFDEKHL-UHFFFAOYSA-N	303.387	1.601	50	20	DDGD	
COc1ccc2c(c1)CCC2=NNC(=O)N1CCN(C)CC1	872368933	VBNMBGSZICNEID-UHFFFAOYSA-N	302.378	1.303	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(Br)c(C)n1	775783398	SHJYTANQWSPEOR-UHFFFAOYSA-N	301.144	1.715	50	20	DDGD	
Cc1cc(F)cc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)c1	772165253	KAWUHJJVXUMFJG-NSHDSACASA-N	324.352	1.873	50	20	DDGD	
CCC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1cccnn1	883321777	KWXWFHVECFPQFA-RYUDHWBXSA-N	305.382	1.780	50	20	DDGD	
COCC1(C(=O)NNc2ccc(Br)nc2)CC1	779199580	GCLYNGPJRXPWCL-UHFFFAOYSA-N	300.156	1.714	50	20	DDGD	
Cc1ccc(/C=C(/C#N)C(=O)OC[C@H]2CCS(=O)(=O)C2)cc1	778343296	AGYKPMKIMFAKDT-QVTJDRNWSA-N	319.382	1.880	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C12CCC(CC1)C2	772295173	JJVIMKHJEAPTFH-FZWSLVFFSA-N	310.394	1.692	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCC(C)(C)C1	772260926	WPCCLKPXNKFWQZ-NEPJUHHUSA-N	312.410	1.938	50	20	DDGD	
Cc1nscc1C(=O)NNc1ccccc1S(C)(=O)=O	781346304	HJFSAVMDDVKSSY-UHFFFAOYSA-N	311.388	1.612	50	20	DDGD	
CC(C)(C)c1nc(C(=O)NNC(=O)c2cccnn2)cs1	882059852	NKNRLGZBBBQVNZ-UHFFFAOYSA-N	305.363	1.305	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=S)NC1(C)CC1	789174293	VGSGGLFOEWMCHI-UHFFFAOYSA-N	307.419	1.676	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=S)NC(C)(C)C)cc1O	899997407	RZPGSDILWSAVPV-UHFFFAOYSA-N	309.391	1.502	50	20	DDGD	
CN(C)CCOc1cccc(NC(=O)NNC(=O)C2CCC2)c1	782556978	XCJIKIUGQHGJTR-UHFFFAOYSA-N	320.393	1.580	50	20	DDGD	
C[C@@H]1CCCC(=NNC(=O)N[C@H]2CCS(=O)(=O)C2)[C@@H]1C	781123047	PXJAGFQSJDMHOG-MXWKQRLJSA-N	301.412	1.285	50	20	DDGD	
C[C@@H]1CCN(CCNC(=O)NC[C@@]2(C)C[C@@H]2Br)C1	895924147	RLCTYWXIJTWYBR-NTZNESFSSA-N	318.259	1.801	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)NC/C=C\Cl)c1	899058103	UEJRDKMVGBZRJU-ARJAWSKDSA-N	311.769	1.765	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)c1ccc(Cl)cc1O	794992110	UVFADVDLZONVLY-PRHODGIISA-N	314.769	1.868	50	20	DDGD	
CO[C@]1(C(=O)NNC(=O)Cc2ccc(F)cc2)CCSC1	895508823	MKWXAPSYJGPIFK-CQSZACIVSA-N	312.366	1.038	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN[C@@H]2CSC[C@H]2C)cc1	796401543	DWSFYXLQTWOALR-DGCLKSJQSA-N	307.419	1.097	50	20	DDGD	
O=C(NNC(=O)c1cc(F)ccc1-n1cccn1)c1ccc[nH]1	792854414	XSWKAMBUUBTYJA-UHFFFAOYSA-N	313.292	1.414	50	20	DDGD	
C[C@@H]1C[C@@H](NS(=O)(=O)CCl)CN1Cc1ccccc1	398049420	SKNRWABMKXKLPO-DGCLKSJQSA-N	302.827	1.765	50	20	DDGD	
Cn1nc(C(=O)NN=C2CCC23CCC3)c2ccccc2c1=O	799869755	JOBIKMANDFWBFT-UHFFFAOYSA-N	310.357	1.983	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNc1ccc(Cl)c(OC)c1	790180291	ORZCJXGBEIPIOG-ZETCQYMHSA-N	301.730	1.536	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H](C)OCCC(C)C)cc1	1318098249	DSJKHMWBWFTBQF-GFCCVEGCSA-N	308.378	1.907	50	20	DDGD	
CC(=NNC(=O)C[N+](C)(C)C)c1ccc(Br)cc1	1317712762	QPFYHDXYWWJGAT-UHFFFAOYSA-O	313.219	1.996	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)CC(=O)NNc1nccn(C)c1=O	1320165247	QUISYYXCSIKLFN-QMMMGPOBSA-N	305.338	1.022	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NOCc2ccccc2)cc1	1326362135	PDSZVSYXXWRGCG-UHFFFAOYSA-N	315.329	1.771	50	20	DDGD	
Cc1onc(CC(=O)NNC(=O)c2ccccc2Cl)c1C#N	1320030196	DFXSNCDPYOBNHJ-UHFFFAOYSA-N	318.720	1.512	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H](C)OCc1ccc(F)cc1	1324631031	UWANNYVDCNPOSH-SNVBAGLBSA-N	313.398	1.635	50	20	DDGD	
COc1ccc(C(=O)NN=C2CC(=O)N3CCCC[C@H]23)cc1	1256575394	JVWJCGWGIAYJPG-CQSZACIVSA-N	301.346	1.566	50	20	DDGD	
C=C[C@@H](COC)NC(=O)NNC(=O)Cc1ccc(Cl)cc1	1320426239	ITHDZBPUEOIXLN-LBPRGKRZSA-N	311.769	1.414	50	20	DDGD	
O=C(NNc1ncccn1)C(=O)Nc1ccc2ncsc2c1	1338275752	AHEUCUYTLVKSCN-UHFFFAOYSA-N	314.330	1.168	50	20	DDGD	
COc1ccc(C(=O)NN[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1	1339142731	YXJUERMDHIVXNH-OAHLLOKOSA-N	324.340	1.028	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H](F)CC)cc1	1335396471	GVZAISDIASBYAQ-GWCFXTLKSA-N	312.341	1.748	50	20	DDGD	
O=C(O)c1csc(C=NNC(=O)c2n[nH]c3c2CCCC3)c1	1253641669	UMLNGKFLNMVQSR-UHFFFAOYSA-N	318.358	1.812	50	20	DDGD	
Cc1ccc(NC(=O)N(C)C)c(C(=O)NNC(=O)C2CCC2)c1	1330360286	UPCCBNXAPUZCPS-UHFFFAOYSA-N	318.377	1.650	50	20	DDGD	
C[C@H]1C[C@@H]1CNC(=O)NNC(=O)c1cncn1-c1ccccc1	1337500077	LDLZKJKUQVIEMP-NWDGAFQWSA-N	313.361	1.472	50	20	DDGD	
Cc1cc(NNC(=O)C[C@H]2CC(=O)N2)ccc1Br	1330756012	VTGFILVMXKIJAR-SECBINFHSA-N	312.167	1.479	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1ccccc1CC	1349088885	IZHCIGPFEHTHIK-UHFFFAOYSA-N	301.346	1.138	50	20	DDGD	
Cc1coc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1C	1342158241	PMHJJEKMLZLJNV-UHFFFAOYSA-N	316.313	1.742	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]1F)c1cc(F)ccc1Br	1519346097	APQAIFSRHGQMHK-IONNQARKSA-N	319.105	1.707	50	20	DDGD	
Cc1sccc1C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1606184447	ONGBVTIFHVGWCF-UHFFFAOYSA-N	301.335	1.389	50	20	DDGD	
O=C(O)c1c[nH]c2cc(NCc3ccccc3B(O)O)ccc12	1602236073	CCGJJHSMTBXQNC-UHFFFAOYSA-N	310.118	1.158	50	20	DDGD	
Cc1cc(NNC(=O)c2cscc2-c2nn[nH]n2)nc(C)n1	1605740370	VQGSDDFTXGVIDY-UHFFFAOYSA-N	316.350	1.092	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCc2ccccc2C(=O)O)cn1	1605491079	LYEFZGKOAWWLCQ-MLPAPPSSSA-N	310.313	1.342	50	20	DDGD	
Cc1[nH]c(C(=O)O)c(C)c1C(=O)NNc1cc(Cl)nc(N)n1	1610404258	WXFZJDNKXMGLQN-UHFFFAOYSA-N	324.728	1.112	50	20	DDGD	
O=C(NN=C1CCc2ccsc21)[C@@H]1CN2CCC[C@@H]2CO1	1549321952	WLDGTPZMIYIVHV-YPMHNXCESA-N	305.403	1.378	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](O)CCl)n[nH]1	1814868637	BBFTUTUQZBLVPD-MNOVXSKESA-N	314.773	1.021	50	20	DDGD	
Cc1cc(F)c2c(c1)N[C@@H](C(=O)NNc1nnc(C)n1C)C2	1579610832	NUIUZYDCPYVKET-GFCCVEGCSA-N	304.329	1.051	50	20	DDGD	
O=C(NNc1nc2ccncc2s1)[C@H]1CC[C@@H](C(=O)O)C1	1574578911	QVNPVZCNHRQVCB-JGVFFNPUSA-N	306.347	1.635	50	20	DDGD	
NCCCCCC(=O)NNC(=O)c1ccc(C2OCCO2)cc1	1580292656	INYCWIFXYXWLHK-UHFFFAOYSA-N	321.377	1.012	50	20	DDGD	
O=C(CCNCC1CC1)NNC(=O)c1cc2ccccc2o1	1580538195	BKOAUJYEIDPTOP-UHFFFAOYSA-N	301.346	1.584	50	20	DDGD	
C[C@H]1CN(C(=O)[C@@H](Br)C(C)(C)C)C[C@@H](C(=O)O)O1	1599911592	CTHLBFFQTMOUOC-XHNCKOQMSA-N	322.199	1.497	50	20	DDGD	
C[C@H](NC(=O)[C@@]1(c2ccccc2)C[C@H]1Br)C(=O)O	1594234612	SQHYRBYTDOYUPF-IYYTYJHQSA-N	312.163	1.681	50	20	DDGD	
Cn1nc(C(=O)O)cc1/C=C(/C#N)C(=O)Nc1ccccc1F	1594568590	OLEZGGDBPJLXIL-TWGQIWQCSA-N	314.276	1.803	50	20	DDGD	
CCCc1cc(C(=O)NNc2ccc(C(=O)O)cc2F)n[nH]1	1596055155	IPGBOGJNCNFSKH-UHFFFAOYSA-N	306.297	1.956	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c1	1594435367	DXPMAPWIOGREHL-BDAKNGLRSA-N	311.363	1.254	50	20	DDGD	
CSC[C@H](C)NC(=O)NNc1ccc(C(=O)O)c(F)c1	1599792952	SJXPNYBAHIFGHG-ZETCQYMHSA-N	301.343	1.902	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2cccc(C(=O)O)c2)CCC1	1596543257	PZHJSNARZRZVPK-UHFFFAOYSA-N	306.318	1.561	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1coc(C2CCC2)n1	1594781912	XZFPSOOLUSWRKN-UHFFFAOYSA-N	302.290	1.792	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2ccc(C(=O)O)c(O)c2)c(O)c1	1776036371	DWYOTTQEZMKEHO-UHFFFAOYSA-N	314.297	1.868	50	20	DDGD	
COc1ccccc1OCCC(=O)NNC(=O)c1ccccc1	15435419	HPMYKTDLTADDCZ-UHFFFAOYSA-N	314.341	1.925	50	20	DDGD	
Cc1cc(CC(=O)NNC(=S)Nc2ccc(C)c(C)c2)[nH]n1	17514176	KSNJIKFPSJZPNX-UHFFFAOYSA-N	317.418	1.895	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1cc(F)ccc1[N+](=O)[O-]	161260907	YUQPPFUEPTZVRF-UHFFFAOYSA-N	322.252	1.471	50	20	DDGD	
COc1ccc(CCCC(=O)NNc2cnccn2)c(OC)c1	151744627	JGTXVHRSPVFVED-UHFFFAOYSA-N	316.361	1.960	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)c1ccc(C#N)cc1)c1cccnc1	152239836	YBZLQBLDQKQGCZ-AWEZNQCLSA-N	310.313	1.102	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NNC(=O)C=C(C)C)[nH]n1	153410243	YWYPUOQXYXAPJD-UHFFFAOYSA-N	314.345	1.813	50	20	DDGD	
Cn1cc(CCC(=O)NNc2cccc(C(F)(F)F)n2)cn1	155784023	ODPCAROLJWGAHT-UHFFFAOYSA-N	313.283	1.910	50	20	DDGD	
CCc1ccccc1C(=O)NNC(=O)Cc1cn2ccccc2n1	154128747	XIDSKDMMCOPIFL-UHFFFAOYSA-N	322.368	1.900	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)c2ccc(Cl)nc2)no1	159878689	BFQSIUNAQIKGBA-UHFFFAOYSA-N	308.725	1.921	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCCC[C@H]1C1OCCO1	780763073	JNMLQDNTVVWGLZ-NSHDSACASA-N	311.831	1.563	50	20	DDGD	
CCC(=O)NNC(=O)c1ccc(OC)c(Br)c1	524906	MAFZVQNTZCIGIB-UHFFFAOYSA-N	301.140	1.629	50	20	DDGD	
Cc1noc(Cl)c1CC(=O)NNC(=O)CCc1ccccc1	101517467	JBTPFVMLTDJEHL-UHFFFAOYSA-N	321.764	1.959	50	20	DDGD	
O=C(NNC(=O)c1cncn1-c1ccccc1)NC1CCCC1	9679751	ZBVKDINYORUDRA-UHFFFAOYSA-N	313.361	1.759	50	20	DDGD	
CCOCCCC(=O)NNC(=O)c1cccc2ncccc12	106811485	FFRXBAXMJRLDAJ-UHFFFAOYSA-N	301.346	1.813	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)Nc1ccccn1	54449922	WHKDQGHYKQJVEQ-UHFFFAOYSA-N	310.317	1.504	50	20	DDGD	
CCCNC(=O)CNC(=O)NNC(=O)[C@H](CC)c1ccccc1	111438260	SJEVKPPINZTLCK-CYBMUJFWSA-N	320.393	1.037	50	20	DDGD	
CC(C)OCCC(=O)NNc1nc2ccccc2c(=O)n1C	113188039	RUFDWDDYGDUMSF-UHFFFAOYSA-N	304.350	1.192	50	20	DDGD	
Cn1c(NNC(=O)c2cc(C3CC3)[nH]n2)nc2ccccc2c1=O	172022844	CXZZHOSZUKETGG-UHFFFAOYSA-N	324.344	1.291	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)C(=O)Nc1ccccc1	66839822	XMQSQWGNXWRMDF-UHFFFAOYSA-N	315.304	1.154	50	20	DDGD	
CNC(=O)c1ccc(C)c(NC(=O)NNC(=O)C(C)(C)C)c1	179719171	UQMLWANTLDELMS-UHFFFAOYSA-N	306.366	1.553	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NC[C@@H]2CCCS2)c1	119640773	PWBKULYYXQDLFA-LBPRGKRZSA-N	304.375	1.398	50	20	DDGD	
CC(=O)c1ccc(NC(=O)C(=O)NNc2cccc(C#N)c2)cc1	119401962	NMTBCYVXTDVDSO-UHFFFAOYSA-N	322.324	1.843	50	20	DDGD	
CCc1ccc(OCC(=O)NNC(=S)N[C@@H](C)C2CC2)cc1	171168267	WWOSMBZYACZGBF-NSHDSACASA-N	321.446	1.922	50	20	DDGD	
O=C(CCc1cscn1)NNC(=O)c1ccc(Cl)nc1	171257953	AEYJGXHPRMHRFI-UHFFFAOYSA-N	310.766	1.585	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@H](C)CCOC)c1ccccc1	111485143	BVBOCNOUEZYDTN-OCCSQVGLSA-N	307.394	1.936	50	20	DDGD	
Cc1ccccc1NNC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O	119993611	LPCWZALLDPSCCE-MRXNPFEDSA-N	316.361	1.159	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)ccc1O)Nc1ccncc1	170701614	KOAIGHZBXAUKNY-UHFFFAOYSA-N	306.709	1.907	50	20	DDGD	
CCCC(O)(CCC)CC(=O)NNC(=O)Cc1ccncc1	119224259	IUWIFTLWTMADFA-UHFFFAOYSA-N	307.394	1.493	50	20	DDGD	
COc1ccnc(NNC(=O)CCCc2csc(C)n2)n1	175408510	OAFGIXUMGCHXLB-UHFFFAOYSA-N	307.379	1.716	50	20	DDGD	
NC(=O)NCCCCC(=O)NNc1ccccc1C(F)(F)F	61038079	QPMGHPYIUAKCTC-UHFFFAOYSA-N	318.299	1.987	50	20	DDGD	
CCc1nc(CC(=O)NNC(=O)NCc2ccco2)cs1	65148426	KZTMXQCYCSCLSA-UHFFFAOYSA-N	308.363	1.372	50	20	DDGD	
CC[C@@H](C)NC(=O)CCNC(=O)/C(C#N)=C\c1ccc(O)cc1	188246443	XTEIGPSAFNSVCS-XTCQQWIJSA-N	315.373	1.720	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccncc2)on1)c1ccccc1	127049142	VERKWEHOTCMECA-UHFFFAOYSA-N	308.297	1.811	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2cc(C)oc2C)cc1	72958172	CZBXRLDMGSWSLV-UHFFFAOYSA-N	317.345	1.778	50	20	DDGD	
CC(C)OCCCCNC(=O)NNC(=O)Cc1cccnc1	181879763	GLLNTIHULSCCPG-UHFFFAOYSA-N	308.382	1.160	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1	184642648	YHKAHGRTBOPAEF-NSHDSACASA-N	309.322	1.941	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNC(=O)Cn2ccc3ccccc32)c[nH]1	73432077	AFAKTZCVVOHZNI-UHFFFAOYSA-N	324.340	1.099	50	20	DDGD	
C[C@H]1CC[C@@H](NCC(=O)NNC(=O)c2ccccc2)[C@H](C)C1	187608094	YPFDYJZBGJYLAX-GZBFAFLISA-N	303.406	1.862	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@@H]1CCN(C(C)C)C1=O	185397328	KQLPKEWWMZMAHI-GFCCVEGCSA-N	308.357	1.770	50	20	DDGD	
C[C@H](CCCc1ccccc1)C(=O)NNC(=O)N1CCOCC1	180089041	IFAOGSKGFKDIME-CQSZACIVSA-N	319.405	1.718	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cc(Cl)ccc2O)no1	182661987	WMFZEPRHGDJGIV-UHFFFAOYSA-N	310.697	1.809	50	20	DDGD	
Cc1cc(F)c(C(=O)NNC(=O)NCC(F)(F)F)cc1F	133107523	VTWZTPVXFUYFNI-UHFFFAOYSA-N	311.210	1.780	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CC1CCSCC1	135479590	XGRVAEBKVQYOMR-UHFFFAOYSA-N	308.403	1.990	50	20	DDGD	
COC(=O)C1(C(=O)NNC(=O)c2cccc3ccccc23)CC1	132940771	NXNGDGWNYLMNIH-UHFFFAOYSA-N	312.325	1.554	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccc(CSc2ncn[nH]2)cc1	49946658	APHMUOQQSCXPHA-UHFFFAOYSA-N	317.374	1.268	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)C(=O)NNC(=O)c1cccc(C#N)c1	132577943	UJKOEKROVCLLIV-VIFPVBQESA-N	311.345	1.463	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)NCC2CC2)c1C	45459644	KSHFWRRFVQZDBJ-LBPRGKRZSA-N	305.378	1.811	50	20	DDGD	
Cc1cc(C)c(NNC(=O)C(=O)Nc2ccnn2C)c(C)c1	132216754	PCJKHOZSKOGFSZ-UHFFFAOYSA-N	301.350	1.427	50	20	DDGD	
Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NN)cc2)cc1	194120354	XZYKNXDOYUTVRR-UHFFFAOYSA-N	305.359	1.399	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C(=O)Nc2ccc(C)nc2)c1	134378686	LDZUFSALNWGVIM-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
CCc1noc2ncc(C(=O)NNC(=O)c3cccn3C)cc12	194679299	MDPUJNQGOXKVPZ-UHFFFAOYSA-N	313.317	1.199	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)C1(c2cccc(F)c2)CCCCC1	192919638	KNVVAVYRWJAQRK-UHFFFAOYSA-N	322.380	1.946	50	20	DDGD	
O=C(NNC(=O)C1CCN(C2CC2)CC1)c1ccc(Cl)nc1	194279182	LYMLQIHDFQNECL-UHFFFAOYSA-N	322.796	1.370	50	20	DDGD	
COc1cccc(C)c1NC(=O)C(=O)NNc1ccnc(F)c1	194156956	UNWPELPYHONNEI-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1c(C)[nH]c2ccccc12	91822011	UCQQWZLPJXNZKM-UHFFFAOYSA-N	322.459	1.948	50	20	DDGD	
C[C@@H](CNC(=O)NN(C)c1ccccc1)CN1CCN(C)CC1	267898692	JDBNBYDKQKPRMD-HNNXBMFYSA-N	319.453	1.221	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)c2ccccc2O)CCOCC1	266694728	DBGSFQMQYZMSSR-UHFFFAOYSA-N	321.377	1.543	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNc2nc(-c3cccnc3)no2)O1	268137854	NEIKMPXUWNAVHY-QWRGUYRKSA-N	303.322	1.532	50	20	DDGD	
Cc1ccc2c(c1)CC[C@@H]2NC(=O)NNC(=O)Cc1ccncc1	266977329	KKEYQBSHFYHHST-INIZCTEOSA-N	324.384	1.950	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccncc1Br	268656684	WBOSYIULYIKOPJ-UHFFFAOYSA-N	301.144	1.197	50	20	DDGD	
O=C(NCC(=O)N1CCCCC1)NNc1ccc(Cl)nc1	266628511	AHWNVNZWBGKPFU-UHFFFAOYSA-N	311.773	1.374	50	20	DDGD	
C[C@H](NC(=O)C1CCCC1)C(=O)NNc1ccc([N+](=O)[O-])cc1	269061890	QKEWAEPNPZONOZ-JTQLQIEISA-N	320.349	1.733	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)COc2ccccc2F)CCO1	272081007	MSVQJFFUJKQDSQ-GHMZBOCLSA-N	310.325	1.167	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@]2(C)CCCOC2)nc1C	272692826	CTYXGMNHNZQURR-OAHLLOKOSA-N	322.365	1.222	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C)C1CC1	279464401	CWKLGIYWKUVKDF-IUODEOHRSA-N	320.389	1.643	50	20	DDGD	
COc1ccc(OC)c([C@H]2C[C@H]2C(=O)NNC(=O)C2CC2)c1	276263047	SUTSHQWGOLADLR-DGCLKSJQSA-N	304.346	1.365	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1sccc1SC	271293610	PSDKMOPNHLZERF-UHFFFAOYSA-N	321.518	1.942	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(F)c1)n1nnnc1C(C)(C)C	273367781	GKDNHGMHYUGSRB-SECBINFHSA-N	306.345	1.814	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2cccc([N+](=O)[O-])c2)[C@@H]1OC	275330023	UBUGJGAZUIAPOS-UPJWGTAASA-N	324.337	1.413	50	20	DDGD	
CC(C)Cn1ccc2c(C(=O)NNC(=O)C(C)(C)O)cccc21	278357709	POEVKYUOFDLQIQ-UHFFFAOYSA-N	317.389	1.829	50	20	DDGD	
C[C@H]1CC[C@H](CCC(=O)NNc2ccc(-n3ccnc3)nn2)O1	278528326	CXEPGTMTJCQKNZ-NWDGAFQWSA-N	316.365	1.453	50	20	DDGD	
CCOC(=O)c1cnc(C)c(C(=O)NNC(=O)OC(C)(C)C)c1	270981346	VMYUJKKNCCRZAJ-UHFFFAOYSA-N	323.349	1.736	50	20	DDGD	
CCCCCOCC(=O)NNc1ncc(C(=O)OCC)c(C)n1	272255158	ZZRMYBFDARGPQD-UHFFFAOYSA-N	324.381	1.612	50	20	DDGD	
C[C@H](CCc1ccco1)NC(=O)NNc1nc2ccccn2n1	276709681	QNYHLYXLNHYABH-LLVKDONJSA-N	314.349	1.970	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)Nc1ccc2scnc2c1	274061096	LOHYKHDIBRLLKL-UHFFFAOYSA-N	318.358	1.182	50	20	DDGD	
CNC(=O)NNC(=O)CC[C@@H](O)c1ccc(C(C)(C)C)cc1	282922810	FISGCYVTXCVEFC-CYBMUJFWSA-N	307.394	1.758	50	20	DDGD	
C#CC(C)(C)N(C)CC(=O)NNC(=O)c1ccccc1Cl	286088495	KMPFAZLDNPFHKA-UHFFFAOYSA-N	307.781	1.445	50	20	DDGD	
C[S@@](=O)C1(CNC(=O)NNc2cccc([N+](=O)[O-])c2)CC1	281917983	JGLZDHXDSKNHTE-OAQYLSRUSA-N	312.351	1.132	50	20	DDGD	
C[C@H]1COCC[C@@H]1CNC(=O)NNc1nc2ccccn2n1	287830792	KOJWYNKPIZDJCX-WDEREUQCSA-N	304.354	1.028	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1cnc2n1CCCC2	372159328	ZYFKPXIXEHMWHP-UHFFFAOYSA-N	313.361	1.093	50	20	DDGD	
Cn1ccnc1[C@@H]1N(S(=O)(=O)CBr)CC1(C)C	295441051	YJHTWCOMABTJBU-QMMMGPOBSA-N	322.228	1.485	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H]2CCc3nnn(C)c3C2)c1	290503244	MNKAJZOGQSBNCU-SECBINFHSA-N	319.340	1.211	50	20	DDGD	
CCC[C@H](C)C(=O)NCCNC(=O)NNC(=O)c1ccc(C)o1	292714207	HJGPCPFLLZXFAK-JTQLQIEISA-N	324.381	1.084	50	20	DDGD	
CCCCN(C)C[C@H](C)NC(=O)NNC(=O)Cc1cccnc1	290777211	MSWZBGICFITJLC-ZDUSSCGKSA-N	321.425	1.075	50	20	DDGD	
CC[C@@H](CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C)OC	292414986	HMCUXTRDVFKZLN-NNSJBKGDSA-N	300.362	1.653	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2C)nn1	805378078	DJGBANAEGJICTQ-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)COCc2cccnc2)cc1	805151713	XUPGKYLBLZEMOM-UHFFFAOYSA-N	313.357	1.622	50	20	DDGD	
O=C(NNC(=O)c1cccc(-n2ccnn2)c1)Nc1ccccc1	801986973	LNNOEQJPKZYENS-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(C(F)(F)F)c(F)c1	292177506	QECPNZJMGZUAAT-JTQLQIEISA-N	320.242	1.785	50	20	DDGD	
CN(C)c1cccc(CNC(=O)NNC(=O)[C@@H]2CCCCO2)c1	297321385	SGGZBHTUBSKVKV-AWEZNQCLSA-N	320.393	1.152	50	20	DDGD	
COc1cccc(OCCC(=O)NNC(=O)[C@@H]2CCCCO2)c1	295574346	BMSAMKYGNFBLAC-AWEZNQCLSA-N	322.361	1.181	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)NCC3=CCCCC3)nc21	297806293	YMWLRNBSKUYWSI-UHFFFAOYSA-N	317.353	1.195	50	20	DDGD	
CO[C@](C)(CNC(=O)NNc1ncc(F)cc1F)C1CC1	298104573	WZNQVHHDTJRVIT-CYBMUJFWSA-N	300.309	1.801	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@@H](O)Cc1ccccc1Cl	804769258	ASHYITGVGAHDPT-NSHDSACASA-N	309.728	1.921	50	20	DDGD	
C[C@H](CCN(C)C)NC(=O)NNC(=O)c1cccc(Cl)c1	299375035	NMMKVFOKZSVKSL-SNVBAGLBSA-N	312.801	1.624	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	295857239	DSYQAWOWZQIKNH-LURJTMIESA-N	316.701	1.436	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802104806	KTGSMBDCFXUHTG-VIFPVBQESA-N	309.322	1.383	50	20	DDGD	
CCO[C@H](CC)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	802004267	LAVMGNUUGCFFCU-LLVKDONJSA-N	301.293	1.933	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1cnn(CCF)c1	806339563	HCXUTLUJNZENRN-UHFFFAOYSA-N	324.743	1.510	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@H]2CCCSC2)c1	809933745	SGNNIXNRVZAFRM-LBPRGKRZSA-N	308.403	1.664	50	20	DDGD	
CN(C)c1cc(C(=O)NNC(=O)CC2CC2)c2ccccc2n1	294301035	WWLAXDJYRFYDRS-UHFFFAOYSA-N	312.373	1.862	50	20	DDGD	
CCOC1CC(N(C)CC(=O)NNC(=O)c2ccc(F)cc2)C1	298641490	WRYBBBJCNJPVLM-UHFFFAOYSA-N	323.368	1.086	50	20	DDGD	
CC(C)C(=O)Nc1cc(C(=O)NNC(=O)CC(C)(C)C)ccn1	294782853	CSWJVSWOWLUCHQ-UHFFFAOYSA-N	320.393	1.873	50	20	DDGD	
O=C(CCCCN1CCOCC1)NNc1ncc(F)cc1F	296973331	OSLQTOBXFMCNHK-UHFFFAOYSA-N	314.336	1.305	50	20	DDGD	
CCn1c(NNC(=O)[C@H](C)NC2CC2)nc2ccccc2c1=O	295831172	VIVVHVVGSUTJBW-JTQLQIEISA-N	315.377	1.000	50	20	DDGD	
Cn1nnc2c1C[C@@H](C(=O)NNc1ccc3ccccc3n1)CC2	290544757	VXTJSYNSLQOMPY-LBPRGKRZSA-N	322.372	1.612	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NNc1cccc(F)n1	805096832	CUFCDFSHXGNHND-UHFFFAOYSA-N	319.296	1.200	50	20	DDGD	
O=C(NN=C1CCCS(=O)(=O)C1)Nc1cc(F)cc(F)c1	815007519	ZQYQUPBPBYFUQA-UHFFFAOYSA-N	317.317	1.651	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2cnn(C)c2Cl)cc1	814768002	DJYWCNFMOWRLRW-UHFFFAOYSA-N	319.752	1.471	50	20	DDGD	
CCCN1C[C@@H](CNC(=O)NNc2ccc(C)cn2)CC1=O	817173403	QQZQLVFJEWNFEV-GFCCVEGCSA-N	305.382	1.275	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cnc(C(C)(C)C)nc1	814794824	MQSRQPFMQSIIRV-UHFFFAOYSA-N	318.406	1.885	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CCC[C@@H](OC)C2)nc1	815878563	KODVXJJXYXJDPD-ZYHUDNBSSA-N	307.350	1.517	50	20	DDGD	
O=C(NNC(=O)c1scnc1C(F)(F)F)c1ccc[nH]1	816824070	OCQDQHPIOZUDDL-UHFFFAOYSA-N	304.253	1.565	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccc(OCC(F)F)nc1	817080243	XBSVAKSQBJRTEW-UHFFFAOYSA-N	313.239	1.412	50	20	DDGD	
CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)NNc2ccccc2)C1	812433035	IJLCHPNOLXJIOJ-NUEKZKHPSA-N	316.405	1.960	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@H](C)[C@@H](C)COC)n1	812532624	AATOHTJGGKPXSQ-NWDGAFQWSA-N	309.414	1.685	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1ccc(Br)cn1	814957917	UESUAFOQQJNMCR-UHFFFAOYSA-N	322.166	1.650	50	20	DDGD	
CCOc1ccc(NNC(=O)CSc2cccc[n+]2[O-])cc1	817895984	KZKAQEXBZJHTHP-UHFFFAOYSA-N	319.386	1.954	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1cc([N+](=O)[O-])ccc1C	814956039	HZUBZBNTQXXGIN-UHFFFAOYSA-N	301.306	1.709	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)c1cc([N+](=O)[O-])ccc1O	811643174	WIZJGVMDOBFTLW-SECBINFHSA-N	320.305	1.075	50	20	DDGD	
CN(NC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1)C1CC1	819648883	VXFNPRCODNEYPX-LBPRGKRZSA-N	308.426	1.476	50	20	DDGD	
N#CCCCC(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1	812615245	BSWZCKVCZRHABX-UHFFFAOYSA-N	323.736	1.338	50	20	DDGD	
N#Cc1cccc(C(=O)NNc2nc(O)c3ccccc3n2)n1	810517443	OBGKRRNQYSXXKN-UHFFFAOYSA-N	306.285	1.359	50	20	DDGD	
CN(C)[C@@H](C(=O)NNC(=O)CC1CC1)c1cccc(Cl)c1	819122835	IOEKUNPCMJTLAK-CQSZACIVSA-N	309.797	1.890	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=S)NC1CCC1	814190678	CJYWNUSTDNJUGA-UHFFFAOYSA-N	323.418	1.512	50	20	DDGD	
CCc1nocc1C=NNC(=O)C(=O)Nc1ccc(C)cc1	814768036	FQQVUTUNJHNPOO-UHFFFAOYSA-N	300.318	1.634	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=S)N[C@H](C)C2CC2)cc1	727275689	VQKKKBMGWBWTCW-SNVBAGLBSA-N	320.418	1.227	50	20	DDGD	
COCCn1cc(C=NNC(=O)Nc2ccc(OC)cc2)cn1	815000650	ZRLDJQZNNVXHAL-UHFFFAOYSA-N	317.349	1.694	50	20	DDGD	
CC(C)NC(=O)Nc1ccc(CNS(=O)(=O)CCl)cc1	820785908	NXDUHDFKQNIKJJ-UHFFFAOYSA-N	319.814	1.832	50	20	DDGD	
C[C@@H](CC(=O)O)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	827304641	YVMVHQXUGBYYBA-VIFPVBQESA-N	308.338	1.016	50	20	DDGD	
O=C(CCCc1nn[nH]n1)NNc1cccc2c1CCCC2	821157783	AVSLTIABKHVRQY-UHFFFAOYSA-N	300.366	1.545	50	20	DDGD	
CC(C)Cc1ncc(C(=O)NNC(=O)[C@H]2CCCCO2)s1	820936066	GIQLBTKCRAVGRE-SNVBAGLBSA-N	311.407	1.672	50	20	DDGD	
CN(C)CC(=O)NN=C1CCC[C@H](NC(=O)OC(C)(C)C)C1	497153763	WIXZMMPTKNKQND-NSHDSACASA-N	312.414	1.488	50	20	DDGD	
CCC(CC)(CO)C(=O)NNc1cccc(F)c1C(=O)OC	822732157	UHPVWBBRVOYCRU-UHFFFAOYSA-N	312.341	1.854	50	20	DDGD	
CN(NS(=O)(=O)c1ncn(C)c1Cl)C(=O)OC(C)(C)C	496671899	JHNWKYQBMGZYST-UHFFFAOYSA-N	324.790	1.134	50	20	DDGD	
CC(C)[C@]1(C)C[C@H]1C(=O)NNC(=O)CNC(=O)OC(C)(C)C	495508090	BMYBDDZGEAQEDR-BONVTDFDSA-N	313.398	1.341	50	20	DDGD	
CC(Cc1ccsc1)=NNC(=O)N[C@H]1CCS(=O)(=O)C1	729637799	VMYGIGRIZKEJFA-NSHDSACASA-N	315.420	1.153	50	20	DDGD	
O=C(CN1Cc2ccccc2C1=O)NNC(=O)c1ccccc1	729964969	IFKWQAMRKSEHCM-UHFFFAOYSA-N	309.325	1.104	50	20	DDGD	
COc1ccc(C(=O)NNc2nc(-c3cccnc3)no2)cn1	728075443	BWNDGSSCJJSJAB-UHFFFAOYSA-N	312.289	1.292	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@@H](c1ccccc1)C1CCC1	828286960	KYWXQNFKHCKJOW-INIZCTEOSA-N	303.406	1.921	50	20	DDGD	
CCOc1nc2ccc(C(=O)NNC(=O)C(C)(C)C)cc2[nH]1	825471979	GGAARPUNSRFJCX-UHFFFAOYSA-N	304.350	1.769	50	20	DDGD	
OB(O)c1ccc(CN[C@@H](c2ccc(F)c(Cl)c2)C2CC2)o1	585043788	RKZWKQWHHVQLKP-OAHLLOKOSA-N	323.560	1.993	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc2nc(C(F)(F)F)cn2c1	823935694	VOAUPJFOQXGRQA-MRVPVSSYSA-N	316.283	1.311	50	20	DDGD	
Cc1ccc(CNCc2cccc(B(O)O)c2)c(N2CCCC2)c1	585027955	BVSZYVJFWAPZGG-UHFFFAOYSA-N	324.233	1.565	50	20	DDGD	
O=C(N[C@H]1CCC[C@@H](C2CC2)C1)c1ccc(B(O)O)c(F)c1	584952005	QQTYNBITKHSMIV-YPMHNXCESA-N	305.158	1.204	50	20	DDGD	
CCO[C@@H](C)c1nc(COc2ccc(B(O)O)cc2)cs1	584910232	YDVOXTBOMLLJOP-JTQLQIEISA-N	307.180	1.499	50	20	DDGD	
Cc1cccc([C@@H](CC(=O)NNC(=O)C2CCC2)NC(N)=O)c1	732140560	DIVBNGRKQAJEBN-CYBMUJFWSA-N	318.377	1.042	50	20	DDGD	
CCc1c(C(=O)N2CC[C@H](B(O)O)C2)cnn1C(CC)CC	585063811	HOMOSZJOZIFNNL-NSHDSACASA-N	307.203	1.496	50	20	DDGD	
CS[C@@H]1CCC[C@H](NC(=O)NNC(=O)N=c2cc[nH]cc2)C1	838483614	SZTYPMFMNSBSRK-NWDGAFQWSA-N	323.422	1.513	50	20	DDGD	
CCOCC(=O)NN=Cc1cnn(-c2ccc(OC)cc2)c1	834957088	SNCNLTDZWYQJKV-UHFFFAOYSA-N	302.334	1.368	50	20	DDGD	
COC[C@@H](CNCc1ccc(B(O)O)o1)c1ccc(Cl)cc1	585042575	AHBKHPYWYALUJF-GFCCVEGCSA-N	323.585	1.133	50	20	DDGD	
C[C@@H](NCc1cccc(B(O)O)c1)[C@@H](C)Oc1ccccc1F	585029728	SODQPVOCWKKHQF-CHWSQXEVSA-N	317.169	1.451	50	20	DDGD	
CC[C@H](C)n1ncc(NC(=O)c2cc(B(O)O)ccc2F)c1C	584981517	XVOBKMJUUQMTEO-VIFPVBQESA-N	319.145	1.234	50	20	DDGD	
CCCCC(COC)=NNC(=O)Cc1cc(O)nc(S)n1	737427473	MEGFYGLFSKQCED-UHFFFAOYSA-N	312.395	1.322	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(Cc1ccccn1)C(C)C	732198252	ZBGHIKODIBVRKS-CQSZACIVSA-N	320.437	1.874	50	20	DDGD	
C[C@@H](C[C@H](O)c1cccs1)NCc1cccc(B(O)O)c1	585035555	VARRRORJPSDWHF-FZMZJTMJSA-N	305.208	1.030	50	20	DDGD	
COc1ccc([C@@H](OC)[C@H](C)NS(=O)(=O)CCl)cc1	831020911	XCOLQDZGCLDZJE-CABZTGNLSA-N	307.799	1.887	50	20	DDGD	
O=C(NCC1CC1)NNC(=S)Nc1ccc2c(c1)OCO2	735238549	PECLHIBTLLAYBV-UHFFFAOYSA-N	308.363	1.326	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CSC[C@@H](C)C(=O)O)c1	832962882	DFJHCDDTLCCYHD-SNVBAGLBSA-N	310.375	1.210	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1c(C)cc(OC)cc1C	901967273	YRLXWQJGIJSJHA-UHFFFAOYSA-N	324.402	1.425	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CN2[C@@H](C)CC[C@H]2C)c(F)c1	837209384	LCRNPHDMVHCDNI-PHIMTYICSA-N	323.368	1.928	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NNc2cccnn2)no1	736698087	UVZRTYTYYRRAHE-UHFFFAOYSA-N	311.301	1.897	50	20	DDGD	
O=C1CC[C@@H]2[C@H]1[C@H]2C(=O)NNc1cccc(Br)n1	909545970	RJJZZXQWLOOWKE-PFZYVWIYSA-N	310.151	1.512	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@@H]1CCCC[C@@H]1N1CCCC1=O	831916678	AZPULOOAHIOOAA-OLZOCXBDSA-N	320.368	1.845	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNC(=O)C(C)(C)c1ccccc1	839672495	RLADVLMBJMVRRT-ZDUSSCGKSA-N	319.405	1.259	50	20	DDGD	
C[C@@H]1C[C@H](CCNC(=O)NNC(=O)[C@H]2CCCCO2)CCO1	836395639	WGZMVZQOXIQXHJ-JHJVBQTASA-N	313.398	1.091	50	20	DDGD	
O=C(NC[C@H]1CCCCS1)NNC(=O)[C@@H]1CCCCO1	836429157	KUSIRIPJLIHQJU-MNOVXSKESA-N	301.412	1.172	50	20	DDGD	
O=C(NCc1ccc2c(c1)COC2)NNC(=O)[C@H]1CCCCO1	836369475	WWUQNCRVZAOZJL-CQSZACIVSA-N	319.361	1.116	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)[C@@H]1CCN(c2ccccc2)C1	833237048	XVPRLMKQPLBVMP-UKRRQHHQSA-N	317.389	1.229	50	20	DDGD	
O=C(O)N1CC(NS(=O)(=O)c2ccc(CCCl)cc2)C1	831852341	NWTDKAATCDVOJY-UHFFFAOYSA-N	318.782	1.108	50	20	DDGD	
O=C(CCc1nc(-c2ccco2)no1)NNC(=O)C1CCCC1	914844232	QHNUUOODWFHCRA-UHFFFAOYSA-N	318.333	1.600	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCCC2CC(F)(F)C2)c1	836276919	RNYVDZYCYKCNPI-UHFFFAOYSA-N	322.315	1.938	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1NC(=O)NNc1ccccc1S(C)(=O)=O	838766189	LRSDHBSBACEZKU-CMPLNLGQSA-N	311.407	1.761	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNc2ncnc3[nH]cnc23)s1	743470457	FLPMHWRIFLKEQD-UHFFFAOYSA-N	302.319	1.374	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cc(C(=O)OC)c(C)o1	740762649	AKHGJVZVYMWGLX-UHFFFAOYSA-N	323.349	1.130	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)Cc1cn2ccccc2n1	747662120	HTINKSURQPAOBN-SNVBAGLBSA-N	305.407	1.171	50	20	DDGD	
CSc1ccc(S(=O)(=O)NNC(=O)CC(C)C)cc1	747406834	KIQVVAFGHZPKTF-UHFFFAOYSA-N	302.421	1.764	50	20	DDGD	
Cc1cc([C@H]2CCCN2CC(=O)NNC(=O)C(C)(C)C)no1	744386244	IBKFNAAMWLRLFI-GFCCVEGCSA-N	308.382	1.313	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=C1CCc2ccc(F)cc21	748789404	QKSXOPBUUUBFNQ-UHFFFAOYSA-N	316.292	1.036	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)C2CCCC2)Cc2ccccc2C(=O)O1	914842787	NWIGPXQWPMZGEQ-QGZVFWFLSA-N	316.357	1.496	50	20	DDGD	
NNC(=O)NCCCCN1CCC(Cc2ccccc2)CC1	841802907	CQLZQHFXBPHHSX-UHFFFAOYSA-N	304.438	1.894	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(C)c1	843645041	QGLXRLBQRJFNCO-UONOGXRCSA-N	320.389	1.645	50	20	DDGD	
CNc1ccc(C(F)(F)F)cc1C(=O)NN(C)C[C@H](C)O	910141608	VLNVMWIWFLOTFC-QMMMGPOBSA-N	305.300	1.705	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CC1(C)C	910138217	DGXQVZUNPJSGNK-ZUZCIYMTSA-N	300.399	1.088	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C[C@H](OC)[C@H]1CCOC1	841606732	KTISMOKXALQLAS-WFASDCNBSA-N	322.361	1.228	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C23CC(C(=O)OC)(C2)C3)c1	843852107	UPIMJUBSYTXUJB-UHFFFAOYSA-N	318.329	1.260	50	20	DDGD	
N#C/C=C/Cn1nnc([C@H]2CN(Cc3ccccc3)CCO2)n1	840196625	SJVULSWJPBAFCS-MBVDDHJVSA-N	310.361	1.326	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cc(F)ccc1F	915953246	SUBGQDRUVYKVRX-NSHDSACASA-N	311.332	1.383	50	20	DDGD	
CS(=O)(=O)CCNC(=O)NNc1ccc(Cl)cc1F	916505633	WXFJYUWCRXMRRA-UHFFFAOYSA-N	309.750	1.150	50	20	DDGD	
COC(=O)[C@H](O)C1CCN(/C(=C\C#N)c2ccc(F)cc2)CC1	749535366	NTOVSCYDOGMXPR-OBHDYHNASA-N	318.348	1.936	50	20	DDGD	
Cc1cc(C)c2c(c1)C(=NNC(=O)C(=O)N1CCCC1)CCO2	748136456	JIDSRTJAIYOAJM-UHFFFAOYSA-N	315.373	1.529	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=S)NCC2CCC2)C1	912109095	DJRNATUKMVMLPM-JOYOIKCWSA-N	321.450	1.371	50	20	DDGD	
Cc1ncc(C=NNC(=O)COc2ccccc2C#N)s1	917537500	BWZFNSFYYJHYAI-UHFFFAOYSA-N	300.343	1.852	50	20	DDGD	
Cc1nn(C)c2nc(C3CC3)cc(C(=O)NN(C)C[C@@H](C)O)c12	910174938	ISKWIJMZNXBXSN-SECBINFHSA-N	317.393	1.112	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@@H]1CCO[C@H](c2ccccc2)O1	847390897	OEGPXUWEIBMRIL-ZFWWWQNUSA-N	319.361	1.231	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@H]2CCO[C@@H]2C)c(C)c1OC	842562791	YYYCHYKYDAOTRF-YPMHNXCESA-N	306.362	1.887	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccc2ncccc12)c1cnn(C)c1	749983104	MQBRUVJPHVFWAI-LLVKDONJSA-N	323.356	1.533	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)c1cccc(Cl)n1	749562076	VEDRCDLJZLFBJC-UHFFFAOYSA-N	323.711	1.714	50	20	DDGD	
CC1(C)CC[C@H]1NCC(=O)NNC(=O)c1cccc(Cl)c1	846955806	HDRLVUNUSKYAHN-GFCCVEGCSA-N	309.797	1.879	50	20	DDGD	
C[C@H](COCC1CC1)NC(=O)NNC(=O)Cc1ccc(F)cc1	845576113	CAGCIOSIJNYYMR-LLVKDONJSA-N	323.368	1.514	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)c2ccc(S(N)(=O)=O)o2)c1	748365851	GNBLFRWHJSEDGE-UHFFFAOYSA-N	309.347	1.301	50	20	DDGD	
Cc1c(NNC(=O)N[C@H]2CC[C@H](CN)C2)cccc1[N+](=O)[O-]	842009306	AHUMSUIVHMVVNP-QWRGUYRKSA-N	307.354	1.657	50	20	DDGD	
COC[C@@H]1COCCN1C(=O)NC[C@@]1(C)C[C@H]1Br	923373517	NQBDTQWUJLERGE-CKYFFXLPSA-N	321.215	1.217	50	20	DDGD	
O=C(NCCN1CCCC1=O)NNc1ccc(F)cc1Cl	923073872	UNYSTTGMQZCKQA-UHFFFAOYSA-N	314.748	1.728	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CCCS(=O)(=O)C2)ccc1Cl	928340145	RWTUQVDAJGQZNP-JTQLQIEISA-N	316.810	1.916	50	20	DDGD	
CNC(=O)CCCN(C)C(=O)NC[C@@]1(C)C[C@H]1Br	856902964	LZFQUOVVDUXNRN-BXKDBHETSA-N	320.231	1.328	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2[nH]c(C)nc2C)cc1OC	856729256	ROJHUTBZKQBLTQ-UHFFFAOYSA-N	318.333	1.119	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cccc2nc(O)oc12	751557319	DOMUCEPWTPIJON-UHFFFAOYSA-N	311.297	1.917	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cccc(F)c1C	854286244	OFCCKTRDXYKYNJ-UHFFFAOYSA-N	313.398	1.622	50	20	DDGD	
CCCSc1nsc(NC(=O)NNC(=O)COCC)n1	757695217	GDOCGIVKVVTWQM-UHFFFAOYSA-N	319.412	1.229	50	20	DDGD	
CC(C)c1ccccc1OCC(=O)NNC(=O)c1cc[nH]n1	855363079	XYDJEIVSWLEUHW-UHFFFAOYSA-N	302.334	1.373	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](Oc2ccccc2)C1	852681180	MVCJJAJDWBCBIW-TZMCWYRMSA-N	305.378	1.086	50	20	DDGD	
C[C@]1(CNC(=O)COCc2ccccn2)C[C@@H]1Br	857389293	ZIWFKZRPUFPDSO-WCQYABFASA-N	313.195	1.888	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)CCC[C@]1(C)NC(=O)NC1=O	855366290	ACTOIBRYWYVJMX-HNNXBMFYSA-N	322.340	1.346	50	20	DDGD	
C[C@@](O)(C(=O)NNc1cc(C#N)ccc1Br)C1CC1	855617166	DIEZMPIRRIVMLU-ZDUSSCGKSA-N	324.178	1.925	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2cc3c(cc2O)OCO3)cs1	920365712	FPIQESJLTVQQII-UHFFFAOYSA-N	319.342	1.579	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCC(C)CC1)c1cnn(C)c1	920827284	KMZRXGDKOWZGLD-CYBMUJFWSA-N	305.426	1.628	50	20	DDGD	
COCCCNC(=O)NN=Cc1c(C)nc2scc(C)n12	920829412	FBICDGJDNLDQOH-UHFFFAOYSA-N	309.395	1.682	50	20	DDGD	
CC1(C)CN(C[C@@H](CBr)C2CC2)CCN1CCO	859269340	NTLGRLVSJVUKGW-CYBMUJFWSA-N	319.287	1.796	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCc2c(F)cccc2C1	757149320	OHYVNFYLBWSSJP-UHFFFAOYSA-N	307.369	1.377	50	20	DDGD	
CCS(=O)(=O)CC(C)=NNC(=O)c1cccc(Cl)n1	853411396	KZAKGRGYNYTOHV-UHFFFAOYSA-N	303.771	1.275	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCCCCC1)c1nccn1C	755589065	YAUKRYJUPARYEU-ZDUSSCGKSA-N	305.426	1.772	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(N2CCCC2=O)ccc1F	756126460	XZYZMFKRWGVNJL-UHFFFAOYSA-N	308.313	1.515	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](c1nccn1C)C(C)(C)CO	855113088	QUBBHEOTALTAHX-UCQJPZFISA-N	306.366	1.040	50	20	DDGD	
Cc1ccc(NNC(=O)C2(n3cnnn3)CCCCC2)cc1F	856233412	NIBDNJYTFKBVLX-UHFFFAOYSA-N	318.356	1.923	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNC(=O)c2cn[nH]c2)C12CCCC2	858260630	HGPUACKMCGLIDJ-NWDGAFQWSA-N	321.381	1.092	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@H]2CCCNC2)C[C@@H]1Br	857104205	PEFRFSNBRXBLHQ-JBLDHEPKSA-N	304.232	1.459	50	20	DDGD	
CCC(C)(C)OCC(=O)NN(C)C(=S)NCCCOC	854286696	XMRIVNWTEKJCNM-UHFFFAOYSA-N	305.444	1.066	50	20	DDGD	
C=CCN(CC(=O)NNC(=O)c1cccc(C)c1)[C@H](C)COC	852356505	GJOPNDIBSAFWSJ-CQSZACIVSA-N	319.405	1.279	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cccc(C(F)(F)F)c1C	757679951	LPQSWUSKJBRRSY-UHFFFAOYSA-N	305.256	1.813	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)OCC(F)(F)F)cc1	856026739	KBVMKXKZEWLYPO-UHFFFAOYSA-N	320.223	1.407	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@@](C)(C2CC2)C(F)(F)F)cn1	933578928	KDFCQEKMKCNKDU-NSHDSACASA-N	319.287	1.095	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)CCn1cccc1	751060290	BEWSKTTXKSWWRP-UHFFFAOYSA-N	301.346	1.364	50	20	DDGD	
COCCCOc1cccc(C(=O)NNC(=O)C2CCC2)c1C	932516098	BKLUGUDWFFSTCR-UHFFFAOYSA-N	320.389	1.971	50	20	DDGD	
CO[C@@H]1CCC[C@H]1NC(=O)NNc1ccc([N+](=O)[O-])cc1F	854112202	RRGSJVHYHBQVCK-VXGBXAGGSA-N	312.301	1.928	50	20	DDGD	
CC(C)OC[C@H]1CN(C(=O)NNC(=O)C2CCCC2)CCO1	753343729	IPLDUWNPBGAGCN-CYBMUJFWSA-N	313.398	1.043	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)O1	756901183	IZNBGDYJLHNOHL-ZYHUDNBSSA-N	306.318	1.134	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@]1(C(=O)O)CCOC1	852958161	FKLMJOIQELZMRT-RDDDGLTNSA-N	308.172	1.156	50	20	DDGD	
COc1cccnc1CC(=O)NC[C@@]1(C)C[C@H]1Br	857391414	PPOUMMBKWCREDQ-DGCLKSJQSA-N	313.195	1.922	50	20	DDGD	
COC(=O)N(C)NC(=O)CC(C)(C)CNC(=O)OC(C)(C)C	935908623	NBLYCJXYVWAFEI-UHFFFAOYSA-N	317.386	1.657	50	20	DDGD	
C[C@@]1(C(=O)NNc2ccccc2S(N)(=O)=O)C[C@H]2CC[C@H]1C2	863910604	XIBJYXDYRDXFKB-ZIBATOQPSA-N	323.418	1.603	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)C1CSC1	867069426	XLHXUEKNJLCTRS-UHFFFAOYSA-N	312.416	1.298	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=CC[C@@H]1CCOC1	765558417	ZQTCCDMCMJJAKX-CYBMUJFWSA-N	300.362	1.873	50	20	DDGD	
CC(C)(C)[C@H](NC(=O)NNC(=O)c1cn[nH]c1)C(F)(F)F	860968611	WAPBSXXADWODKR-QMMMGPOBSA-N	307.276	1.331	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCc1cn[nH]c1	863852546	MGVUSPRBUYOVHY-SNVBAGLBSA-N	320.324	1.096	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCCC(C)(C)[C@@H]1C#N	769893949	RNIQVVRVFSNSOQ-STQMWFEESA-N	308.426	1.583	50	20	DDGD	
CC1CCN(C(=O)C(=O)NNCC(F)(F)C(F)(F)F)CC1	863100542	SBBRPPVQJPLJOF-UHFFFAOYSA-N	317.258	1.063	50	20	DDGD	
COCCOc1cccc(CC(=O)NN[C@H](C)C(F)(F)F)c1	862314674	GUNQAFLURYGLST-SNVBAGLBSA-N	320.311	1.826	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2conc2C)cc1C	864463201	SSEQVMOOLLQASR-UHFFFAOYSA-N	303.318	1.440	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)N[C@@H]1CC[S@@](=O)C1	762326678	QTZQULPLQSBIHS-PXKKQCTMSA-N	307.297	1.251	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cccc(N(C)C(C)C)c1	763444046	QOPVEPWMRDHNIM-UHFFFAOYSA-N	306.366	1.027	50	20	DDGD	
Cc1cc(=NNC(=O)c2cc3c(nc2O)CCCCC3)cc[nH]1	862510972	BGBRNMDLLIZMCL-UHFFFAOYSA-N	312.373	1.938	50	20	DDGD	
CC(C)(C)OC(=O)C1CCC(=NNC(=O)C(=O)NC2CC2)CC1	768355805	RVTADZBQADLVIJ-UHFFFAOYSA-N	323.393	1.269	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C[C@]2(C)CC2(Cl)Cl)n[nH]1	869018088	ZFHMFWSVTQQQKA-LLVKDONJSA-N	319.192	1.382	50	20	DDGD	
CC[C@@H](C#N)Oc1cccc(CNCc2cccc(B(O)O)c2)c1	863888460	PNWMJSMDNFRHQN-KRWDZBQOSA-N	324.189	1.337	50	20	DDGD	
COC1CC(C(=O)NNC(=O)CNc2ccc(C)cc2C)C1	863854917	GIROSLMDDXUEAU-UHFFFAOYSA-N	305.378	1.288	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)OCC2(CO)COC2)cc1	763614907	HPWNQCRNMGQZCK-MLPAPPSSSA-N	303.314	1.154	50	20	DDGD	
CCC(=NNC(=O)N1CCOCC1)c1ccc(C(=O)O)cc1	760255216	VWAULOAJHHCNHS-UHFFFAOYSA-N	305.334	1.541	50	20	DDGD	
CNC(=O)NNC(=O)CCCc1cccc(Br)c1	760446358	NPRYPEOVVPZIRC-UHFFFAOYSA-N	314.183	1.732	50	20	DDGD	
CCO[C@H](CC(=O)NNC(=O)Cc1ccccc1OC)C(C)C	760395607	SCUGSYMXTZFQQF-OAHLLOKOSA-N	322.405	1.836	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cccc(OCC(F)F)n1	761147546	SRPJFSIEQIESNG-UHFFFAOYSA-N	314.292	1.080	50	20	DDGD	
CC(C)c1ncc(C(=O)NNc2nc(-c3ccncc3)no2)[nH]1	1116126047	MYEJSFHIVMESJH-UHFFFAOYSA-N	313.321	1.735	50	20	DDGD	
CCc1cccnc1C(=O)NNC(=O)c1ccc2c(c1)OCO2	766554019	SPCYJIUCRRIQBK-UHFFFAOYSA-N	313.313	1.448	50	20	DDGD	
O=C1CCc2cc(C(=O)NNC(=O)C3CCC3)c(F)cc2N1	768004842	WKUUKRWPYPLSQO-UHFFFAOYSA-N	305.309	1.272	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)NCc1ccco1	763292633	RIUIADBXOMVGSF-UHFFFAOYSA-N	321.358	1.608	50	20	DDGD	
Cn1ncc2cc(C(=O)NNc3ccc([N+](=O)[O-])cc3)cnc21	768245959	CTHVSGXMPQLIPF-UHFFFAOYSA-N	312.289	1.633	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)NO[C@H]1CCCCO1	776215538	ZWDMPXPLFRZDBP-ZDUSSCGKSA-N	318.333	1.570	50	20	DDGD	
CCN(CC)C(=O)c1ccccc1NC(=O)NN(C)C(=O)OC	878440789	MGDRJIYJVVLHLZ-UHFFFAOYSA-N	322.365	1.903	50	20	DDGD	
CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)CCc1ccccc1	772663786	JQJDEUOPEFQUKR-ZDUSSCGKSA-N	305.422	1.933	50	20	DDGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)[C@H](C)C#N)cc1	874949218	HNSBMJRKBVLYLY-SNVBAGLBSA-N	306.391	1.951	50	20	DDGD	
CN(C)CC1(C(=O)NNC(=O)c2ccc3ccccc3n2)CC1	873721628	XLQSINYGBORDFZ-UHFFFAOYSA-N	312.373	1.338	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)c1ccccc1F)c1cccnc1	771898771	RIKRZFLANCOSIJ-ZDUSSCGKSA-N	303.293	1.369	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)/C=C\[C@@H]2CCOC2)c1	873776896	IEBJKWDCTWZEKJ-FOQNGQEVSA-N	305.403	1.905	50	20	DDGD	
CCNC(=O)CC(=O)NNC(=S)Nc1ccc(C)c(C)c1	873763194	PZBPRPDEIDPMMP-UHFFFAOYSA-N	308.407	1.147	50	20	DDGD	
CC(=NNC(=O)[C@H]1COc2ccccc2O1)c1ccc(F)cn1	770596433	VRFFPIKOEYGUSC-OAHLLOKOSA-N	315.304	1.901	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1cccc(N2CCCC2=O)c1	875089283	WXXIMZQCFFQYJJ-UHFFFAOYSA-N	320.349	1.226	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@H]1C[C@H]2CC[C@H]1C2	771894913	SRUPQBNETYNRQG-ZOBORPQBSA-N	324.421	1.938	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](CC(C)C)N1CCCCC1=O	770543472	PSENHQUAKLPIKK-GFCCVEGCSA-N	312.414	1.106	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@@H]1CCc2c[nH]nc2C1	774177628	JFCNPJIIDJFSFC-SECBINFHSA-N	304.325	1.806	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCOCc1ccccc1	772040105	YRLMUDDYZKYWBI-GFCCVEGCSA-N	322.361	1.082	50	20	DDGD	
CC(C)[C@H]1C[C@@H](NC(=O)NNC(=O)CC(F)(F)F)CCO1	772620992	RFEIWSKIYSVKKB-DTWKUNHWSA-N	311.304	1.473	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN[C@@](C)(CO)C1CCCCC1	772778307	SOVMHJIUTKTXEH-INIZCTEOSA-N	313.442	1.101	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](C)OCc1cccc(C)c1	887153406	UKGAIQWQVOUIOS-CQSZACIVSA-N	302.374	1.851	50	20	DDGD	
CC(C)c1nnsc1C(=O)NNC(=O)Cc1ccccc1F	1120605794	VSALABVDGYMLGN-UHFFFAOYSA-N	322.365	1.804	50	20	DDGD	
CO[C@@H]1CCOC[C@H]1NC(=O)[C@H](Br)C(C)(C)C	889189822	LAJLTAUDXFKDMA-BBBLOLIVSA-N	308.216	1.716	50	20	DDGD	
Cn1c(C(=O)NNc2ccc(C(F)(F)F)cn2)cccc1=O	775252714	QVPPWMYBHGMPIA-UHFFFAOYSA-N	312.251	1.556	50	20	DDGD	
C=C(CBr)n1cc(C[C@]2(O)CCSC2)nn1	881316714	SZRWKJXZXPICBU-SNVBAGLBSA-N	304.213	1.554	50	20	DDGD	
N#Cc1ccc(NNC(=O)NCC[C@H]2C[C@H]3CC[C@H]2O3)nc1	889223960	REKCAMLTFBJKEI-YNEHKIRRSA-N	301.350	1.537	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNC(=O)C(C)(C)C)c1ccnn1C	788100805	BWAUKYZSIGMUEZ-LLVKDONJSA-N	309.414	1.536	50	20	DDGD	
CCOC(=O)C(F)(F)[C@@H]1CCC(=NNC(=O)C(C)(C)O)C1	785459826	DGTAHKQKCPKJFK-MRVPVSSYSA-N	306.309	1.228	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NC[C@H](O)c1ccncc1	787469391	VCYYDBUGEJZBNF-IDJPSDCMSA-N	309.325	1.544	50	20	DDGD	
COCCS(=O)(=O)CC(=O)NNc1cc(Cl)ccc1C	885124566	ZPTWAGQZJJOPEO-UHFFFAOYSA-N	320.798	1.153	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)c1c[nH]nc1C1CC1	789904838	QMQVICLWQSMYTH-UHFFFAOYSA-N	310.317	1.693	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@@H](OC)C(F)(F)F)n1	780015321	QWXALADVMIVMOL-SSDOTTSWSA-N	308.260	1.294	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H]1CCc2n[nH]cc2C1	780731046	VAXCXNSWXMTCQW-SNVBAGLBSA-N	314.345	1.445	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cc(C3CC3)n(C)n2)c1	780801269	WKVJDQCKOTZADA-UHFFFAOYSA-N	314.345	1.841	50	20	DDGD	
COc1cc(NNC(=O)N[C@@H](C)c2nncn2C)ccc1Cl	788874118	JCBGOGUWISKWFO-QMMMGPOBSA-N	324.772	1.864	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2csnc2C)c1O	781420182	IRFSMPCPSBETQO-UHFFFAOYSA-N	307.331	1.241	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccc([N+](=O)[O-])[nH]2)c1	781038227	CMXKGEAQMDDHRJ-UHFFFAOYSA-N	304.262	1.466	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)CO1	784017697	MACDYQCKCGIMTO-GMTAPVOTSA-N	310.325	1.165	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2cccc(F)c2Cl)C(=O)O1	896370762	JSOREQSFTDJCMT-HZGVNTEJSA-N	301.705	1.809	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2c(Cl)cnn2C)cc1	780194521	KOBBUCKNWANIGN-UHFFFAOYSA-N	305.769	1.944	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ncncc2Cl)s1	781820668	WZSQXFZPBLEAAE-UHFFFAOYSA-N	312.738	1.735	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CNc1cccc(C(F)(F)F)c1	780706159	LRVNJPHZZTZCKE-UHFFFAOYSA-N	318.299	1.810	50	20	DDGD	
COC(=O)[C@H](NNC(=O)Cc1ccc(F)cc1)c1ccsc1	788401423	SJGOIXLABHRQHE-CQSZACIVSA-N	322.361	1.965	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H]2CCC(F)(F)C2)c1O	795011681	FFKJNDWORCWPFE-MRVPVSSYSA-N	314.288	1.597	50	20	DDGD	
CCN(C[C@@H](CBr)C1CC1)[C@H]1CCS(=O)(=O)C1	701858885	LANVTJVESOFFNF-NEPJUHHUSA-N	324.284	1.917	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cncc(OC)n2)c1	790867304	QSSJAZYOIANCNF-UHFFFAOYSA-N	302.290	1.029	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)NCC(F)(F)F)N1CCCCC1	798313469	HMFLBVSEXRPWHH-SNVBAGLBSA-N	324.347	1.390	50	20	DDGD	
C[C@H](Oc1ccc(C#N)cc1)C(=O)NNc1nc2ccccn2n1	791252162	IZQMLKVGJSDASE-NSHDSACASA-N	322.328	1.512	50	20	DDGD	
CC(=O)c1cc(C(=O)NNc2nccn(C)c2=O)ccc1C	790857213	PQSMDFDDRUCRCN-UHFFFAOYSA-N	300.318	1.048	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1O)c1cc(C2CC2)no1	799411513	PCOJYDYOGYQLES-UHFFFAOYSA-N	321.720	1.986	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H](O)c1cccc(C(F)(F)F)c1	795626749	UMAYEENJDZVQMS-JTQLQIEISA-N	319.283	1.479	50	20	DDGD	
CCOc1ccc(O)c(C=NNC(=O)c2ccc(O)c(O)c2)c1	794556075	POSYTYNLLKCRJN-UHFFFAOYSA-N	316.313	1.966	50	20	DDGD	
O=C(NN=C1CCC(C(F)F)CC1)[C@H]1CCS(=O)(=O)C1	799475270	ZMDQVVHKJANNMW-GKAPJAKFSA-N	308.350	1.349	50	20	DDGD	
O=C(Cn1cc2ccccc2n1)NNc1nc2ccccn2n1	791261687	LVALREBQVNXHEU-UHFFFAOYSA-N	307.317	1.222	50	20	DDGD	
Cc1ccccc1CCNC(=O)NNC(=O)N=c1cc[nH]cc1	794755399	ZTDRLYJGOGAXAM-UHFFFAOYSA-N	313.361	1.390	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc(-c2cccc(F)c2)no1	1317860843	LURCBRHPAKRMQR-UHFFFAOYSA-N	322.365	1.998	50	20	DDGD	
Nc1cnnc(NNC(=O)Cc2csc3nccn23)c1Cl	1319220288	PRTHOEFNFWICKH-UHFFFAOYSA-N	323.769	1.107	50	20	DDGD	
COCc1nocc1C(=O)NNC(=O)c1ccccc1Cl	1324295087	MDNUQIYLDHEABF-UHFFFAOYSA-N	309.709	1.549	50	20	DDGD	
O=C(NNC(=O)c1ncoc1[C@H]1CCCO1)Nc1ccccc1	1321257874	IDYHHCBPIPDQIX-LLVKDONJSA-N	316.317	1.993	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ncoc2[C@@H]2CCCO2)n1	1321216884	FKINGANPCGCDTH-NSHDSACASA-N	316.317	1.304	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCN(C)c2ccccc21	1322039868	LNRPYUMBFTZHFP-LBPRGKRZSA-N	305.378	1.398	50	20	DDGD	
CC(=NNC(=O)C[n+]1ccccc1)c1cnn(C(C)(C)C)c1C	1321068154	VTXAEIYXZGBQLD-UHFFFAOYSA-O	314.413	1.774	50	20	DDGD	
CCC(=NNC(=O)CCO)[C@H]1CCCN1C(=O)OC(C)(C)C	1328089938	BICGCKZOQHOGKT-GFCCVEGCSA-N	313.398	1.651	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1C#N)c1ccnc(C)n1	1255780012	YIGLSNVYJXCCKW-UHFFFAOYSA-N	309.329	1.576	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)c2cccc(Cl)n2)c(C)n1	1337293430	JJJHAEAJFCMGDG-UHFFFAOYSA-N	321.768	1.725	50	20	DDGD	
Cn1ncc(Br)c1C=NNC(=O)C1CCOCC1	1330896685	VRUBWPOQAQFJMO-UHFFFAOYSA-N	315.171	1.059	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc(OCC#N)cc1	1261459112	YRVJZWDTIVBJDL-GWCFXTLKSA-N	318.333	1.167	50	20	DDGD	
CN[C@H](C)CCNC(=O)NNC(=O)Cc1c[nH]c2ccccc12	1345141144	JBHGCQAWLQWERY-LLVKDONJSA-N	317.393	1.039	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C[C@@H]2CC[C@H]3C[C@H]23)c1O	1347792694	CJNSUUZMARCSKX-NHCYSSNCSA-N	304.346	1.598	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)CCNc1ccccc1)C1CC1	1347817756	JLUJEIRQZYOKDD-LLVKDONJSA-N	306.435	1.782	50	20	DDGD	
N#CC1(CNC(=O)NNc2cccc(F)c2F)CCOCC1	1348173618	MSVRQLCNBIVPPP-UHFFFAOYSA-N	310.304	1.911	50	20	DDGD	
CCNc1ncc(C(=O)NNC(=S)NC(C)C)cc1Cl	1350795321	XZZFCZFXIPZMEE-UHFFFAOYSA-N	315.830	1.684	50	20	DDGD	
C=CCn1cc(C(=O)OC[C@@]2(C)C[C@H]2Br)nn1	1526044837	OATYNDCHNXXSSD-MWLCHTKSSA-N	300.156	1.794	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2nc(CC(=O)O)cs2)n1	1600183615	ZWLFRBGUQNZJFT-UHFFFAOYSA-N	322.350	1.326	50	20	DDGD	
N#Cc1nc(C(=O)O)ccc1N1C[C@H]2[C@H](Br)[C@H]2C1	1601133362	QTQRWXMKEBFDSR-IIDWOEFGSA-N	308.135	1.481	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ncc(F)cc2F)c(F)c1	1602384664	UGOZFSQWPCBGBN-UHFFFAOYSA-N	311.219	1.954	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccnn1C)[C@@H]1CCCO1	1549319183	IUOSKNNXCXJVRD-SNPRPXQTSA-N	320.393	1.559	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C(=O)O)cn1	1610601095	FDQWVGGUKAOSCX-YCBFNFSOSA-N	302.334	1.087	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@H]1C(=O)NN=C1CCOC1(C)C	1549314520	HVQOXEGIUKFXTK-YPMHNXCESA-N	320.393	1.559	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@@H]2C=NNC(=O)c2cccnn2)cn1	1552928140	WRGYLEDHCCJGJH-BXUZGUMPSA-N	314.349	1.094	50	20	DDGD	
COc1cc(F)cc(F)c1S(=O)(=O)N1CC=C(C#N)CC1	1647139229	IAIDOZRIXFMGJE-UHFFFAOYSA-N	314.313	1.818	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2c(F)cc(F)cc2F)CNCCO1	1576516999	YFSTZZJDSKAQDY-ZDUSSCGKSA-N	318.299	1.109	50	20	DDGD	
CC(C)CNCC(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	1575606464	WKVAHVPFCJGXCT-UHFFFAOYSA-N	300.746	1.937	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C12CCC(CC1)N2	1576287778	SYXBJLZMAWYDLD-WCVRRQIGSA-N	321.352	1.025	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)c1ccc(-c2nn[nH]n2)o1	1581207626	YAFCGWFSBGOZIG-UHFFFAOYSA-N	302.269	1.664	50	20	DDGD	
CC(C)(C)[C@@H]1C[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1589214063	UYOACJAURBZWLQ-NXEZZACHSA-N	301.354	1.387	50	20	DDGD	
C[C@@H](C(=O)O)c1ccc(NC(=O)NNc2ccncn2)cc1	1589511608	DMYRKYCYIUGNBE-SECBINFHSA-N	301.306	1.813	50	20	DDGD	
N#CC1(C(=O)N2CCCC23CN(C(=O)[C@@H](F)Cl)C3)CCC1	1846974572	NWKZVTNBTPJAAI-SNVBAGLBSA-N	313.760	1.418	50	20	DDGD	
C=CCN1CCC(NC(=O)NNc2ncccc2C(=O)O)CC1	1588463997	DNPAFYLXBURBPP-UHFFFAOYSA-N	319.365	1.056	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CCCCC(=O)O)n1	1589728941	SWJNDKVKWNKZBZ-UHFFFAOYSA-N	309.370	1.411	50	20	DDGD	
C[Si](C)(C)OCC(=O)N1CCCC12CN(C(=O)CC1CC1)C2	1844377778	RVEFAQGMUCJJMF-UHFFFAOYSA-N	324.497	1.841	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1cccc(-n2cccn2)n1	1594781415	NURHOLCJAZEELN-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc2[nH]nc(C(=O)O)c2c1	1596864745	WFKBISBPKUHPQS-BQYQJAHWSA-N	300.274	1.644	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2ccno2)C1	1842438529	KTYIWOKDQGICQR-JTQLQIEISA-N	311.769	1.509	50	20	DDGD	
COc1ccc(NNC(=O)c2coc(/C=C\C(=O)O)c2)nc1	1594105348	IWEVQKRAWVMAGP-HYXAFXHYSA-N	303.274	1.538	50	20	DDGD	
O=C(NNc1cccc(F)c1F)c1cnccc1-c1nn[nH]n1	1593168127	YOLLJOIKOWYPFM-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)N[C@H]1CCCC1(F)F	1593165281	ZRDLQKCDZDUQBR-QMMMGPOBSA-N	324.295	1.076	50	20	DDGD	
CCc1cc(C(=O)NNc2cccc(C(=O)O)c2)c(C)nn1	1597430716	GXSQQKZFAUACMA-UHFFFAOYSA-N	300.318	1.803	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCC(=O)c1ccc(-c2nn[nH]n2)cc1	1592662421	FDCGVUMZEHQMQI-QPEQYQDCSA-N	323.312	1.453	50	20	DDGD	
CC(CCC(=O)O)=NNC(=O)c1cncn1-c1ccccc1	1592471521	ZKESPENUUMWRKL-UHFFFAOYSA-N	300.318	1.843	50	20	DDGD	
O=C(NN=C[C@@H]1CCSC1)c1ccc(-c2nn[nH]n2)cc1	1593155159	CGJHFXNJDHRGKM-VIFPVBQESA-N	302.363	1.335	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C\c1c(F)cc(C(=O)O)cc1F	1776117841	KBCCPAUWUDNJAS-QPIMQUGISA-N	300.224	1.830	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=Cc1cc(C(=O)O)ccc1N(C)C	1776102418	PHOMQVYRHASBJR-TZMCWYRMSA-N	319.361	1.326	50	20	DDGD	
COCc1ccc(C=NNC(=O)c2ccc(C(=O)O)cc2)o1	1776099871	FPBPPXISRNNWER-UHFFFAOYSA-N	302.286	1.888	50	20	DDGD	
CCC(CC)CNC(=O)NNC(=O)COc1ccccc1C#N	160536314	HBYOMBABBWIJOX-UHFFFAOYSA-N	318.377	1.704	50	20	DDGD	
C[C@@H](OC[C@H]1CCCO1)C(=O)NNc1cnc2ccccc2n1	163436075	LKFSFNHZNIINCI-VXGBXAGGSA-N	316.361	1.657	50	20	DDGD	
CC(=O)N[C@@H](C)C(=O)NNc1ccccc1Br	153453772	MBBJHQALLIOHMQ-ZETCQYMHSA-N	300.156	1.417	50	20	DDGD	
CC1(C)NC(=O)N(CCCC(=O)NNc2cccc(F)c2)C1=O	155025755	LKJCHJZPEYBEHE-UHFFFAOYSA-N	322.340	1.379	50	20	DDGD	
O=C(CC1=CCCCC1)NNc1nccc(N2CCOCC2)n1	155577374	YEKVZIQXCJDJAJ-UHFFFAOYSA-N	317.393	1.647	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2csc([C@H]3CCCO3)n2)o1	155621667	ZAXVSSWONNZGEN-LLVKDONJSA-N	321.358	1.971	50	20	DDGD	
CC1(C)CCCC[C@@H]1NC(=O)NNC(=O)Cc1cccnc1	154321644	UHAXTKCTWWRYDU-ZDUSSCGKSA-N	304.394	1.923	50	20	DDGD	
O=C(NNC(=O)C1CCCCC1)c1ccc2c(c1)OCCO2	6930859	GDSLEXHXYKZFHE-UHFFFAOYSA-N	304.346	1.799	50	20	DDGD	
O=C(CN1CC[C@@H]2CCCC[C@@H]2C1)NNC(=O)c1ccccc1	8266390	YDPZDJVLUGOALB-GOEBONIOSA-N	315.417	1.960	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc(C(F)(F)F)nc1O	25006211	PAGPLFIKQCZUKA-UHFFFAOYSA-N	322.312	1.323	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](C)Oc2cccc(F)c2)n1	174473182	ZEIGLYHXOQIJGW-SNVBAGLBSA-N	320.324	1.843	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])c(O)c1	119861084	OBFGRXSTJPRIIC-UHFFFAOYSA-N	318.245	1.966	50	20	DDGD	
COc1ccc([C@H]2CCCN2CC(=O)NNC(=O)C2CC2)cc1	112975822	GOPRYCDTEMAEJH-OAHLLOKOSA-N	317.389	1.390	50	20	DDGD	
CN(C)C(=O)[C@H]1CCN(C[C@H](CBr)C2CC2)C1	859328654	RWBKITWNIIARAH-RYUDHWBXSA-N	303.244	1.818	50	20	DDGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCC(=O)NC)c1C	25605033	BGIBGBKDEZNCBR-OQLLNIDSSA-N	316.405	1.674	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc2ccc(OC)cc2nc1C	21772899	NTHKITQBSRGRLI-UHFFFAOYSA-N	303.318	1.943	50	20	DDGD	
O=C(Cc1ccccc1[N+](=O)[O-])NNC(=O)NCc1ccco1	65177806	BFQNDHKOYDAOED-UHFFFAOYSA-N	318.289	1.261	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(F)c(F)cc1F	128994022	NKQSAQDDHRXXDO-UHFFFAOYSA-N	305.256	1.084	50	20	DDGD	
CCCN1CCC[C@H]1C(=O)NNC(=O)c1cccc(N(C)C)c1	123898834	KSVRCZPRXSESPW-HNNXBMFYSA-N	318.421	1.388	50	20	DDGD	
CCc1ccc(C(=O)NNc2ncccn2)cc1S(C)(=O)=O	121892185	PXXFTGIWCYYRLA-UHFFFAOYSA-N	320.374	1.199	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)Nc1ccccc1F	124671984	WXWSDFQXFJJNRY-UHFFFAOYSA-N	310.329	1.283	50	20	DDGD	
Cn1cnc(CNC(=O)NNc2ccc(C(C)(C)C)cc2)n1	181684061	HYYXFWYVGPEYPG-UHFFFAOYSA-N	302.382	1.939	50	20	DDGD	
Cc1ccc(F)cc1NC(=O)NNC(=O)Cc1ccncc1	182772566	ZZLFMDQKAZJPJT-UHFFFAOYSA-N	302.309	1.925	50	20	DDGD	
CC(C)CCOCCNC(=O)NNc1nc2ccccn2n1	187845136	OMZMJGKDBRRMCX-UHFFFAOYSA-N	306.370	1.418	50	20	DDGD	
CCSCC[C@H](C)NC(=O)NNc1nc2ccccn2n1	189381806	LWENTJNJMVNVLO-JTQLQIEISA-N	308.411	1.887	50	20	DDGD	
O=C(NNc1ccccc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	78356783	LZBYNJPZZWENLH-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccn(C)c(=O)c1	181267784	DIWPSAHAKQVQTI-UHFFFAOYSA-N	308.341	1.999	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cccc(C(C)C)c2)nn1	123836360	ZNKQCKJMXVWBND-UHFFFAOYSA-N	313.361	1.990	50	20	DDGD	
CC1(C)C[C@@H](NC(=O)NNC(=O)c2ccccc2)C(C)(C)O1	180373436	POOMVQNWDQMCDZ-GFCCVEGCSA-N	305.378	1.977	50	20	DDGD	
COc1ccc(NNC(=O)Cc2ccc3c(c2)NC(=O)C3)nc1	187468709	VSTAAFJBRLNKOS-UHFFFAOYSA-N	312.329	1.271	50	20	DDGD	
CS(=O)(=O)N1CCN(/C(=C/C#N)c2ccc(F)cc2)CC1	79315243	KMKLNUPMESAXHV-MKMNVTDBSA-N	309.366	1.267	50	20	DDGD	
COCCNC(=O)NNC(=O)CSc1ccc(Cl)cc1	42843004	JDRYVUCGZRHTLL-UHFFFAOYSA-N	317.798	1.409	50	20	DDGD	
Cc1cn2c(=O)c(C(=O)NNc3ccccc3F)cnc2s1	89335037	AAZHSQWKBGKENV-UHFFFAOYSA-N	318.333	1.960	50	20	DDGD	
CC(C)C[C@H](C)NC(=O)NNC(=O)COc1ccccc1C#N	133336724	PJWIYGCRLVLRRW-LBPRGKRZSA-N	318.377	1.702	50	20	DDGD	
CC(=O)Nc1ccc(/C=C(/C#N)C(=O)Nc2ccn(C)n2)cc1	134500637	ZYJIPLKKRBSSJL-LCYFTJDESA-N	309.329	1.924	50	20	DDGD	
COc1ccc(/C=C(\C#N)S(=O)(=O)NC2CC2)cc1[N+](=O)[O-]	195309918	UHFPVMGRMBEPLV-IZZDOVSWSA-N	323.330	1.550	50	20	DDGD	
O=C(NCCc1c(F)cccc1F)NNC(=O)[C@@H]1CCCO1	80064932	JUMQEDCURCHVPI-LBPRGKRZSA-N	313.304	1.017	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NO[C@@H]2CCCCO2)cc(C#N)n1C	195459529	WXSOWVLGTMAUDW-MYWXAZLQSA-N	314.345	1.687	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)c2ccccc2F)c1C1CC1	148218699	GRDPLIJRYGLSII-UHFFFAOYSA-N	302.309	1.511	50	20	DDGD	
Cn1cc(C(=O)NNc2nccnc2Cl)c(C(C)(C)C)n1	92244822	HQKMQVSGUSXJLU-UHFFFAOYSA-N	308.773	1.918	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCN3CCCC[C@H]23)s1	147828898	LOQPZXFEGBRNPI-VXGBXAGGSA-N	322.434	1.627	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc(F)c(Cl)c1	94121192	FLUOBBLMSFSJLR-UHFFFAOYSA-N	321.830	1.951	50	20	DDGD	
COc1ccc(-n2nc(C(=O)NNc3ncccn3)cc2C)cc1	92260836	VWULDBDSTMUCCT-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)CC(C)C)cc(C)c1F	265990038	AKAFWISZBDBMTN-UHFFFAOYSA-N	302.371	1.798	50	20	DDGD	
COc1cc(CC(=O)NNC(=S)N[C@@H](C)C2CC2)ccc1C	267571373	DGISUHGXCOXIBA-NSHDSACASA-N	321.446	1.840	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC([C@H](C)N)CC1	269143328	CPDADYDYQYFSLG-JTQLQIEISA-N	312.845	1.938	50	20	DDGD	
CN(C[C@@H](O)CN1CCOCC1)/C(=C/C#N)c1ccc(F)cc1	267571726	DJCKRSGFJUTSJD-OUSZSBQJSA-N	319.380	1.315	50	20	DDGD	
CCN(CC(=O)O)S(=O)(=O)c1ccc(CCCCl)cc1	275286210	LPXSZPFVEHAVIS-UHFFFAOYSA-N	319.810	1.953	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1CCCN1C1CC1	279012937	LTBOCWARNYGXDD-ZDUSSCGKSA-N	303.362	1.083	50	20	DDGD	
CCOC1CC(O)(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)C1	279302609	LTURFYNZRBTIDI-QPEQYQDCSA-N	316.357	1.345	50	20	DDGD	
CC(C)OC[C@H]1CN(S(=O)(=O)CCCCCl)CCO1	364153815	ATXJWCMCPLIILI-GFCCVEGCSA-N	313.847	1.461	50	20	DDGD	
Cn1cc([C@H]2OCC[C@@H]2C(=O)NNc2ccc(Cl)nc2)cn1	275438635	FTKGLMBQFFGQNG-WCQYABFASA-N	321.768	1.689	50	20	DDGD	
CCOC(=O)C[C@H](C)CNC(=O)NNc1cccc(OC)n1	272596411	SVDVSZNVJSUDCH-JTQLQIEISA-N	310.354	1.306	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNC(=O)CC2CC2)c(Cl)c1	274095647	VMXFCMHFUJGFKF-UHFFFAOYSA-N	320.736	1.098	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C(C)(Cl)Cl)c1	272251306	PDASIPGQFIAFQC-UHFFFAOYSA-N	320.176	1.448	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCCCOC)c1ccc(OC)cc1	271717301	IWBYRPWLSZLBSR-CQSZACIVSA-N	323.393	1.556	50	20	DDGD	
CN1C(=O)CCc2cc(C(=O)NNC(=O)C3CCC3)ccc21	270400292	FANDFWFDPIOGAU-UHFFFAOYSA-N	301.346	1.157	50	20	DDGD	
N#CC1(C(=O)NNC(=O)CSc2ccccc2O)CCC1	270725907	SLOYNOXLSLLWQG-UHFFFAOYSA-N	305.359	1.326	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccccc1C[S@](C)=O	276015664	JMDLYEADBSEBBW-NRFANRHFSA-N	312.395	1.263	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)Nc1cccc(Cl)c1F	274020007	AAZWVRRUPZRAJY-UHFFFAOYSA-N	313.716	1.365	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C	274042518	GIZCBPNYOVKLRS-MRVPVSSYSA-N	322.321	1.035	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Nc1ccc(C)cn1	284785732	VQQLAKRAUBMXPA-UHFFFAOYSA-N	310.354	1.332	50	20	DDGD	
Cc1cccc(CCCNC(=O)NNC(=O)c2ccc(C)o2)n1	286983449	PZEFSRWNQLVONO-UHFFFAOYSA-N	316.361	1.868	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1	286257305	HIUSXABCFYJBCR-ZDUSSCGKSA-N	309.341	1.520	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)c1ccc(Cl)cc1O	280068293	PLUPWNVQMPBPJH-DTWKUNHWSA-N	324.764	1.812	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@@]12CCC[C@@H]1CNC2	280965311	ZJJNRERWYPIMDK-MLGOLLRUSA-N	313.361	1.569	50	20	DDGD	
C[C@H](OC[C@H]1CCCCO1)C(=O)NNC(=O)Nc1ccccc1	282933885	ZHLOGOCNZMPZHV-GXTWGEPZSA-N	321.377	1.814	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2cccc3c2CCCC3)CC1	281442586	FHVMRFCAZINRCR-UHFFFAOYSA-N	308.403	1.586	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Nc1cccc(C)n1	284220386	FKCBWDRGXLOHNI-UHFFFAOYSA-N	310.354	1.332	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)[C@H]2CCCc3ccccc32)CC1	288126075	YUKVJQQHPASWGS-HNNXBMFYSA-N	316.405	1.095	50	20	DDGD	
O=C(NNc1cccc(F)n1)C1CCN(c2cnccn2)CC1	286381824	FWGLFYOEOILLJT-UHFFFAOYSA-N	316.340	1.370	50	20	DDGD	
O=C(CN1C(=O)CCc2ccccc21)NNc1cccc(F)n1	804767558	AGNTUIZIHZXHDW-UHFFFAOYSA-N	314.320	1.643	50	20	DDGD	
CCC[C@@H](CC)NC(=O)NNC(=O)[C@H]1COc2ccccc2O1	299346988	PNYIZWYRZYKSQT-BXUZGUMPSA-N	321.377	1.736	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NNC(=O)N=c1cc[nH]cc1	802030441	FBUHQCOOQBHFEB-JSGCOSHPSA-N	320.393	1.642	50	20	DDGD	
CC(=O)Nc1ccc(/C=C/C(=O)NNC(=O)CC2CC2)cc1	294025430	CPHDQHBRWRORAF-RMKNXTFCSA-N	301.346	1.606	50	20	DDGD	
COc1cccc(NNC(=O)[C@H]2CCn3c(cnc3C)C2)n1	290371933	JDZUSHHCEYUUHJ-NSHDSACASA-N	301.350	1.301	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@]2(C)CCCOC2)cc1	802058408	DPNIDIFTNHJVRA-HNNXBMFYSA-N	307.350	1.665	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cnn2ccc(C)cc12	294913603	JFUKDTSIUNDGGA-UHFFFAOYSA-N	323.447	1.115	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)Nc2ccccc2)c(O)n1	801984726	KHJPTDKUZNVTMV-UHFFFAOYSA-N	300.318	1.871	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cccc(F)c2Cl)O1	294233462	MYGVXHWZLRGLPI-XVKPBYJWSA-N	300.717	1.808	50	20	DDGD	
COC(=O)CC1CCN(C(=O)NCCSSC)CC1	807233377	DMUJUYKSSNBCCG-UHFFFAOYSA-N	306.453	1.982	50	20	DDGD	
Cc1nc(O)ccc1C(=O)NNc1ccc2c(=O)[nH]ccc2c1	803429133	NKDPRIPWKAEACR-UHFFFAOYSA-N	310.313	1.694	50	20	DDGD	
O=C(COCc1ccccn1)NNC(=O)c1ccc(Cl)nc1	805165741	SJKAOFDOGVMSII-UHFFFAOYSA-N	320.736	1.108	50	20	DDGD	
Cn1ncc(C(=O)NNc2ncccc2F)c1Br	804217628	CVZNXSAFEACLRC-UHFFFAOYSA-N	314.118	1.474	50	20	DDGD	
O=C(NCCCNc1ccccn1)NNc1cccc(F)n1	805131074	FNAHUHUBXDHNNN-UHFFFAOYSA-N	304.329	1.744	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNc1ccc2c(=O)[nH]ccc2c1	803428241	WQOFAWSPMKDCKQ-NSHDSACASA-N	301.346	1.952	50	20	DDGD	
C[S@@](=O)Cc1ccc(CNC(=O)NNc2cccnn2)cc1	805869052	QSMCWWDKJUHLNR-JOCHJYFZSA-N	319.390	1.181	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)C(=O)N1CCCC1)c1ccccc1	299474784	FECVOCUTKBOCMT-ZDUSSCGKSA-N	318.377	1.091	50	20	DDGD	
CC(C)(C)C(=O)CCCC(=O)NNC(=O)c1ccccc1O	295240044	SQNXCHVSSLTVRT-UHFFFAOYSA-N	306.362	1.939	50	20	DDGD	
N#Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)c(Cl)c1	297092378	NJRXOBVAGYDVHH-LBPRGKRZSA-N	322.752	1.933	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H](CO)C1CCCC1	292010210	NEMATJXUDNBCTK-MBSJSRAVSA-N	300.358	1.966	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cn(C(C)C)cn2)cc1	802058307	JPNUQXOQDZOSEK-UHFFFAOYSA-N	317.349	1.939	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H]2CSC[C@H]2C)cc1	805789728	JXNFJAODTNLGAC-MFKMUULPSA-N	307.419	1.945	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NC[C@H]1CC[C@@H](CO)O1	294497484	KBXBJHYWDOXAJU-IUAVZTLVSA-N	304.321	1.389	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(OC)c(C)c(OC)c1	296985815	HJWIQIOEKDTIEB-UHFFFAOYSA-N	310.354	1.710	50	20	DDGD	
COc1ccc(OC)c(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	294151758	HSAIKIDEPMXPNP-ZANVPECISA-N	308.334	1.032	50	20	DDGD	
CN(NC(=O)c1ccnc(-n2ccnc2)c1)C(=O)OC(C)(C)C	297515010	CGKABQHRNSSIPJ-UHFFFAOYSA-N	317.349	1.779	50	20	DDGD	
CN(C)N(C(=O)c1cc2ccccc2[nH]1)[C@H]1CCS(=O)(=O)C1	298152203	IOXXYOKWGKLEQJ-LBPRGKRZSA-N	321.402	1.274	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)NCc2cc(F)ccc2F)O1	297624704	KRYBWQZCFZCPJV-UFBFGSQYSA-N	313.304	1.363	50	20	DDGD	
CCn1ccnc1C(=O)NNC(=O)c1cccc2cccnc12	813430181	MUBZYOOOHARYJJ-UHFFFAOYSA-N	309.329	1.526	50	20	DDGD	
COCCC(COC)=NNC(=O)Nc1ccc(N(C)C)cc1	812226844	UUPVERCCUZQLFN-UHFFFAOYSA-N	308.382	1.913	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCOc2c(Cl)cccc21	814900948	PGKANLBRHMGJOW-UHFFFAOYSA-N	311.725	1.299	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1cccc(-n2cnnc2)c1	814794788	LTHMWDCKACSUHU-UHFFFAOYSA-N	307.317	1.211	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)c2cccc3ccccc23)n1	815682786	OLBYVLMTWQTQIY-UHFFFAOYSA-N	323.356	1.834	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cc(O)ccc2Cl)n1	810427674	NKRUEIZYHVDWHW-UHFFFAOYSA-N	307.741	1.659	50	20	DDGD	
CC(C)n1cncc1C=NNC(=O)COc1ccc(C#N)cc1	819805708	BURWNNZQJFDTJP-UHFFFAOYSA-N	311.345	1.865	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccc2c(c1)NC(=O)CCS2	816771036	WAYUFMHUQFWZOE-UHFFFAOYSA-N	318.362	1.006	50	20	DDGD	
CN(CC(=O)NNC(=O)C(C)(C)C)C1CC(OC(C)(C)C)C1	817288408	XUIDNUJSXBBGHE-UHFFFAOYSA-N	313.442	1.458	50	20	DDGD	
COc1cccc(NCC(=O)NN=Cc2c[nH]c(C(=O)O)c2)c1	814763491	AMEAVORJWQXURO-UHFFFAOYSA-N	316.317	1.284	50	20	DDGD	
Cc1ccc(N2CCCC2)c(C(=O)NNc2cnnn2C)c1	816770672	HOJUTMLQPUFEDD-UHFFFAOYSA-N	300.366	1.481	50	20	DDGD	
CCOC(=O)C[C@@H]1CCCCC1=NNC(=O)Cc1cc[nH]n1	814955007	UAZMTAJQEJKKSD-NSHDSACASA-N	306.366	1.568	50	20	DDGD	
O=C(/C=C\c1cccnc1)NNc1cccc(-c2nn[nH]n2)c1	826403661	YPZAYLGGIKZCII-SREVYHEPSA-N	307.317	1.418	50	20	DDGD	
CCCCC[C@@H](O)C(=O)NNc1ccccc1S(C)(=O)=O	827238812	YNUTXVFBWGAEPO-GFCCVEGCSA-N	314.407	1.474	50	20	DDGD	
CN1CCCC(C)(C)[C@H]1CNC(=O)NNC(=O)OC(C)(C)C	496256644	SLVXFTFQLJARRU-LLVKDONJSA-N	314.430	1.846	50	20	DDGD	
CO[C@H](CNC(=O)NNc1cncc(Cl)n1)C1CCCC1	823304602	BZSZFOCFZGDLCD-SNVBAGLBSA-N	313.789	1.961	50	20	DDGD	
CN(C)CC(C)(C)CNC(=S)NNC(=O)CC(C)(C)C	728446557	UXWZRAOUYFSEFN-UHFFFAOYSA-N	302.488	1.506	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2C[C@H](O)C(C)(C)C2)cc(C#N)n1C	490906326	CNXXAHIGTBZTAV-XNISGLLXSA-N	312.373	1.341	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)/C=C\[C@@H]2CCOC2)cc1F	493021747	MRRVADQEBDJDBY-XJIUSYNZSA-N	308.309	1.648	50	20	DDGD	
Cc1ccccc1C[C@H]1CCCN1CC(=O)NNC(=O)C(C)C	827828586	CJOHCTBGBODXEZ-MRXNPFEDSA-N	317.433	1.805	50	20	DDGD	
CC(C)COC(=O)N1CCC(C(=O)NNC(=O)C2CC2)CC1	490968496	WORGKGFFNCHYQL-UHFFFAOYSA-N	311.382	1.048	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)c2c[nH]c3ccccc23)cn1	728857445	QYXNLRGNWHJMJK-UHFFFAOYSA-N	304.309	1.619	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C	825753457	MIVGKHZFIAASDP-REDKMVRKSA-N	323.437	1.957	50	20	DDGD	
COC(=O)N(C)NC(=O)CCN(C)C(=O)OCc1ccccc1	495823459	OGNOIXJLOFPMMH-UHFFFAOYSA-N	323.349	1.375	50	20	DDGD	
Cc1occc(=O)c1OCC(=O)NN(C)C(=O)OC(C)(C)C	822507012	LTUAFUICRGZLHB-UHFFFAOYSA-N	312.322	1.225	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCCc3cc(F)ccc32)c(F)c1	585029841	JNLONMFRDKNTLN-QGZVFWFLSA-N	317.144	1.812	50	20	DDGD	
C[C@]1(C(=O)NC[C@@H]2CCCN2CCCO)C[C@H]1Br	908527828	WOQKWEIEOXKRJU-LOWVWBTDSA-N	319.243	1.123	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCC[C@H]1CC1CCCCC1	584938145	XSSUEWNBCHSWID-KRWDZBQOSA-N	315.222	1.941	50	20	DDGD	
COc1cccc(COCC(=O)NNc2ccc(Cl)nn2)c1	735687522	LLWJVPQZXVFCAU-UHFFFAOYSA-N	322.752	1.799	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NN=Cc1cccc(F)c1	491498255	FTUVBKMBCATNFB-UHFFFAOYSA-N	324.356	1.984	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2C[C@@H](O)C[C@@H](C)C2)cc(C#N)n1C	491129224	GFVCJWGDPLVHGP-WKIGUXCUSA-N	312.373	1.341	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)CC[C@@H]1CCCO1	732301876	LEWDGCAQMGMDAQ-NSHDSACASA-N	312.391	1.492	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)CCN1CCCCCC1	834931784	VFZDPJNKPQKDHJ-UHFFFAOYSA-N	306.414	1.323	50	20	DDGD	
CN(C)Cc1ccsc1C(=O)NNc1ccc(C(=O)O)cn1	833689781	WEXWCDBWSANXNH-UHFFFAOYSA-N	320.374	1.660	50	20	DDGD	
C[C@@H]1CC=C(C(=O)NNC(=O)COc2ccccc2O)CC1	836650314	FAZSTUWEMDTILU-LLVKDONJSA-N	304.346	1.665	50	20	DDGD	
CC1(C)CN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1ccccc1	584935008	WKTSELKDCOSYLP-INIZCTEOSA-N	309.174	1.590	50	20	DDGD	
CC(=NNC(=O)c1ncon1)c1cccc(OCCN(C)C)c1	901285686	JCCYWAZDBOIJAN-UHFFFAOYSA-N	317.349	1.164	50	20	DDGD	
CC[C@H]1C[C@@H](Cc2nc(-c3ccc(B(O)O)cc3)no2)CCO1	585053408	FWRIYHJWOSPDJV-FZMZJTMJSA-N	316.166	1.164	50	20	DDGD	
CC(=O)N(C)C1CCN(C(=O)[C@]2(C)C[C@H]2Br)CC1	906416877	HYWILZHXSOUEGL-DGCLKSJQSA-N	317.227	1.629	50	20	DDGD	
Cc1nc(C=NNC(=O)CNC(=O)OC(C)(C)C)sc1C	901215209	KMVKCXXXUCFSBK-UHFFFAOYSA-N	312.395	1.735	50	20	DDGD	
CO[C@@H]1COCC[C@H]1CNC(=O)NNc1cccc([N+](=O)[O-])c1	838659098	PSNJIIBHHTVZIX-GXFFZTMASA-N	324.337	1.272	50	20	DDGD	
Cc1nn(CCC#N)c(C)c1CCC(=O)NNC(=O)CC(C)C	907460094	TVXPBNYWBXQLSK-UHFFFAOYSA-N	319.409	1.540	50	20	DDGD	
COc1ccc(F)c(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	831546248	PVSONCSFKGTFEC-SCZZXKLOSA-N	311.313	1.412	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@]2(C)CCCCO2)c1	837310948	JBSWNJXRMNKHRK-KRWDZBQOSA-N	320.389	1.789	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NCC[C@@H](C)OC)cc1	836281978	BNXXCQXZTLRNNZ-SNVBAGLBSA-N	310.354	1.456	50	20	DDGD	
CC1(C)C[C@@H](CNC(=O)NNc2ncncc2Cl)CCO1	836676539	LSFIBPRLIGUPTQ-VIFPVBQESA-N	313.789	1.961	50	20	DDGD	
CSC[C@@H](NCc1ccc(B(O)O)cc1)c1ccccc1	585028593	LSKKTJNMZQMZBI-MRXNPFEDSA-N	301.220	1.560	50	20	DDGD	
CC[C@H](O)[C@H](C)C(=O)NNC(=O)c1nc2ccccc2s1	913818047	NGWZEXABHXDJQX-WPRPVWTQSA-N	307.375	1.464	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCCO1)C(=O)NNc1cccc(C(=O)O)c1	833536227	PSIXEZYUAYBLSV-RISCZKNCSA-N	322.361	1.802	50	20	DDGD	
CCC(=O)N1CCC(=NNC(=O)c2ccccc2OC)CC1	731488454	GIXWVUSDABPAMH-UHFFFAOYSA-N	303.362	1.813	50	20	DDGD	
O=C(NNC(=O)c1ccc(Br)s1)c1cn[nH]c1	916144063	WASSAACFESSFBB-UHFFFAOYSA-N	315.152	1.309	50	20	DDGD	
COc1ccc(OCCNC(=O)NNC(=O)C(C)(C)C)cc1	916214067	MGYGPDBUPUPRAM-UHFFFAOYSA-N	309.366	1.451	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCCCO2)nn1[C@H](C)C1CC1	833243771	XHWUAMGHOPZFNT-BXUZGUMPSA-N	320.393	1.493	50	20	DDGD	
CCCn1ncc(NC(=O)NNC(=O)COCC)c1C1CC1	836713772	NVVKQAHGJIHFLD-UHFFFAOYSA-N	309.370	1.360	50	20	DDGD	
CC(C)CCCCC(=O)NNc1nccc(N2CCOCC2)n1	839703733	JESTXMYZNXNFLM-UHFFFAOYSA-N	321.425	1.973	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C1CCN(C)[C@@H](C)C1	741458819	WPAVCXAWHIPTQC-LBPRGKRZSA-N	305.378	1.660	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Nc1ccc2c(c1)OCO2)C1CCC1	836373423	HTNMQDYPUASSMW-SECBINFHSA-N	320.349	1.940	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@@H]1C[C@H]2CCCCN2C1=O	836689218	AJYHVCAJZVDWII-VXGBXAGGSA-N	303.366	1.170	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2cccnc2N2CCOCC2)c1	748033608	KCYDQYILPWOGTC-UHFFFAOYSA-N	323.356	1.547	50	20	DDGD	
CN(C)CC(=O)NN=Cc1cc2c(cc1OC(F)F)OCO2	741764392	HYYJHMQQOMZQHK-UHFFFAOYSA-N	315.276	1.028	50	20	DDGD	
O=C(COCc1ccccc1)NN=Cc1cnc2cnccn12	746373262	ZWSHXTDSDJCMMM-UHFFFAOYSA-N	309.329	1.396	50	20	DDGD	
CO[C@@H](CS(=O)(=O)NNC(=O)CC(C)C)C1CCCC1	849303343	BFBNBKCFQBLLHH-LBPRGKRZSA-N	306.428	1.188	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)/C=C/[C@@H]2CCOC2)cc1	846377593	XGLBLHWHAVCQNC-WXJAXGNASA-N	304.346	1.438	50	20	DDGD	
CSCC1(CC(=O)NNC(=O)COCc2ccccc2)CC1	844398089	LUTKSLPQGIONCF-UHFFFAOYSA-N	322.430	1.884	50	20	DDGD	
COc1cccc(C2(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)CC2)c1	843656554	PLENBVSKQKYNHO-RISCZKNCSA-N	318.373	1.299	50	20	DDGD	
COCCOCC(C)=NNC(=O)c1cc([N+](=O)[O-])ccc1O	741771609	PPSRNMWJNRBSGS-UHFFFAOYSA-N	311.294	1.069	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@@H]1CCO[C@H]1c1ccncc1	845895607	ROIAFRNUDWHIKC-NEPJUHHUSA-N	303.297	1.232	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNC(=O)c1cc(Cl)ccc1O	842223860	GTXHSQXXDQDKRS-LBPRGKRZSA-N	314.769	1.868	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)cc2n1C	843657441	RCXMJGSPIJFVFL-SKDRFNHKSA-N	316.361	1.068	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1ccccc1C(=O)N(C)C	842549423	LVTKSTOWUGCUEH-WCQYABFASA-N	303.362	1.264	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](C)C(=O)OC(C)(C)C)n1	840374355	NVOBZSKYHSIMQM-VIFPVBQESA-N	310.354	1.215	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCc2ccc(N)cc2)n1	841963367	ZXFSEEPDOKSOJX-UHFFFAOYSA-N	300.366	1.544	50	20	DDGD	
CCNC(=O)NN=C(C)c1ccc(S(C)(=O)=O)c(F)c1	741761846	IREKQUGCHICTQD-UHFFFAOYSA-N	301.343	1.272	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H](C)C1CCCCC1	748635159	OGKQOKTUDUQAPF-RYUDHWBXSA-N	315.414	1.337	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c2c(C)noc2n1	843645076	QIPOPDVQQVVQGQ-ZJUUUORDSA-N	318.333	1.026	50	20	DDGD	
C[C@@H](CBr)COC(=O)c1cnc(N(C)C)cn1	848778821	GFXOGVBYKIPHQE-QMMMGPOBSA-N	302.172	1.730	50	20	DDGD	
O=C(CNc1ccccc1F)NN=Cc1ccc(O)cc1O	915919630	DSZBPVWZSXRYKY-UHFFFAOYSA-N	303.293	1.799	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NNc1ccnc(N(C)C)n1	740104444	LBHLSPPAIRHDLY-TUAOUCFPSA-N	306.414	1.247	50	20	DDGD	
CCn1ccc(C(=O)NNC(=O)CNc2ccc(C)cc2C)n1	844129008	VYZBCVARSPGOIT-UHFFFAOYSA-N	315.377	1.393	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNc1ccc(CC(=O)OC)cc1	846375806	KRUOPJXMQSUXBV-RYUDHWBXSA-N	308.378	1.764	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNc1oc(C(C)C)nc1C#N	746523995	LWIWTVARBVKQIM-UHFFFAOYSA-N	302.338	1.777	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](C)Oc2ccccc2F)n1	746622702	DZBFAVJAKYNAHX-SNVBAGLBSA-N	320.324	1.843	50	20	DDGD	
COc1ccc(COCC(=O)NNC(=O)c2ccncc2)cc1	916091170	BYXIFMZQAWIANF-UHFFFAOYSA-N	315.329	1.068	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCc2c(O)cccc21)c1ncccn1	841449439	YMIDUPARWUQLCA-LBPRGKRZSA-N	312.329	1.063	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCc2ccco2)c(C)c1	742053419	KTKSUWKRNZTEDU-UHFFFAOYSA-N	303.318	1.741	50	20	DDGD	
C[C@H]1C[C@@H](CC(=O)NNC(=O)CN2CCCC2=O)CC(C)(C)C1	913731117	UTDCZNLIFORQHI-STQMWFEESA-N	323.437	1.609	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)Cn2nc(C)cc2C)C12CCC2	741161997	PKAGJDPXTOSIJV-AWEZNQCLSA-N	304.394	1.951	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)CSc2ccccc2O)C1	843840833	GNIPEQVVVSTCAU-VIFPVBQESA-N	308.359	1.001	50	20	DDGD	
COCCn1c(C)cc(C=NNC(=O)[C@H]2CCO[C@H]2C)c1C	842558737	SNCOTJJGIILLMB-ZFWWWQNUSA-N	307.394	1.626	50	20	DDGD	
Cc1cccc2c(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)coc12	843660612	LSRFAUOQKWDNIU-QWRGUYRKSA-N	302.330	1.927	50	20	DDGD	
Cc1ccc(CCCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)s1	843651773	FQZBUTAYJFFDOY-AAEUAGOBSA-N	310.419	1.952	50	20	DDGD	
Cn1nncc1NNC(=O)C[C@H]1CSc2ccccc2O1	857270425	BRSAQVPNXBQISG-VIFPVBQESA-N	305.363	1.202	50	20	DDGD	
O=C(CSc1nncs1)NN=c1cc[nH]cc1Cl	757413528	JXDBFFDTIAZHRP-UHFFFAOYSA-N	301.784	1.244	50	20	DDGD	
CCNC(=O)C1(CNC(=O)NNC(=O)CC(C)(C)C)CCC1	753311487	WSJHFLWFUDBODB-UHFFFAOYSA-N	312.414	1.059	50	20	DDGD	
CNC(=S)N(C)NC(=O)C1(c2ccccc2C)CCOCC1	854925936	PMFUZRVKIPGTPZ-UHFFFAOYSA-N	321.446	1.511	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)C1(O)CCSCC1	855622909	QMWBPBBSZCYYQW-UHFFFAOYSA-N	315.326	1.435	50	20	DDGD	
CCn1cc(CNC(=O)NNc2ncnc3ccsc23)nn1	852538388	FMHNUZOQQQVNPG-UHFFFAOYSA-N	318.366	1.129	50	20	DDGD	
CC[C@@H]1COCC1=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1	853280592	HJBYICPKLRXYSJ-AAVRWANBSA-N	311.426	1.260	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCOC1	853788399	WIGFQIQPXROEFJ-RKDXNWHRSA-N	312.301	1.785	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21	859829109	LEIZEZYHMHAQEV-DJIMGWMZSA-N	307.353	1.357	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H]2CCCS2(=O)=O)cc1F	853869608	ZIZLCEYVIQUOJB-NSHDSACASA-N	315.370	1.337	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1nnc(O)c2ccccc12)C1CC1	853272490	WTIQPHLYBYMFPD-LBPRGKRZSA-N	300.318	1.476	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21	857113895	GEBZBQRHRBVOCI-QJPTWQEYSA-N	309.410	1.265	50	20	DDGD	
O=C(NNC(=O)N1CC[C@@H](Cc2ccccc2)C1)c1cn[nH]c1	858704690	OVVWJFKTDGYTTJ-ZDUSSCGKSA-N	313.361	1.329	50	20	DDGD	
Cc1cnc([C@@H](NC(=O)NNC(=O)c2cn[nH]c2)C2CC2)s1	858704650	OISPDXBAOROKAE-JTQLQIEISA-N	320.378	1.270	50	20	DDGD	
CC1=NO[C@H](C(=O)NNC(=S)Nc2cccc(C)c2C)C1	854186425	LASPUMHEAODBRK-LBPRGKRZSA-N	306.391	1.786	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)OCC(F)(F)F)cc(Cl)n1	856022782	LZEWAQQVHFKJBC-UHFFFAOYSA-N	311.647	1.977	50	20	DDGD	
C[C@]1(CNC(=O)N2[C@H]3CC[C@H]2CC(O)C3)C[C@H]1Br	856952908	FLGBQEKAPOWDKT-FIQUKUQUSA-N	317.227	1.857	50	20	DDGD	
Cc1ccnn1CC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	858139666	OAOYQEZTYQZRQJ-UHFFFAOYSA-N	314.389	1.950	50	20	DDGD	
O=C(NNC(=O)c1cc(F)ccc1O)c1ccc2c(c1)OCO2	751059004	PZUKVDOEJHBMOK-UHFFFAOYSA-N	318.260	1.335	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)CNc2ccccc2)c[nH]1	753161667	TZRRSBDAOPDXKZ-UHFFFAOYSA-N	300.318	1.364	50	20	DDGD	
C[C@]1(CNS(=O)(=O)C[C@H]2CCCO2)C[C@H]1Br	856756162	KSXANUZJLZMOLO-OPRDCNLKSA-N	312.229	1.258	50	20	DDGD	
CC(C)(C)NC(=O)CCNC(=O)NNc1ccc(Cl)cn1	852053977	LWSFYPUDQGEZFU-UHFFFAOYSA-N	313.789	1.666	50	20	DDGD	
CO[C@](C)(C1CC1)[C@H](C)NC(=O)NNC(=O)c1cccc(F)n1	852382055	JIFOYNMHQVYXIQ-VFZGTOFNSA-N	324.356	1.368	50	20	DDGD	
O=C(COc1ccc(F)cc1)NN=Cc1ccnn1CC1CC1	853274493	QWGJWXPGURTUNJ-UHFFFAOYSA-N	316.336	1.961	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@]12CCC[C@@H]1C2	929294705	FCRDSJOVBYLIIY-GLKRBJQHSA-N	306.337	1.931	50	20	DDGD	
C[C@@H](C(=O)NNc1cnnn1C)[C@H]1OCCc2sccc21	857270489	DXDITRLEERVSQU-PRHODGIISA-N	307.379	1.270	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1coc2ccccc12	854281367	FWTSRBTUIAAQNG-UHFFFAOYSA-N	321.402	1.920	50	20	DDGD	
CC(=NNC(=O)C(C)C)c1cccc(OCC(=O)N(C)C)c1	920482173	HHUASYLGIZKNDS-UHFFFAOYSA-N	305.378	1.650	50	20	DDGD	
O=C(NCCC1CCC1)NNC(=O)c1cc([N+](=O)[O-])ccc1O	756119320	VGHZMCXIFZNGIV-UHFFFAOYSA-N	322.321	1.435	50	20	DDGD	
CCOC1(CNC(=O)NNC(=O)c2cccc(F)n2)CCCC1	852358285	XTDXGVWCBKDSHG-UHFFFAOYSA-N	324.356	1.514	50	20	DDGD	
CO[C@H](CNC(=O)NNc1ncc(Cl)cn1)CC(C)C	856917303	STGSKPXWNVBTCT-JTQLQIEISA-N	301.778	1.817	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C1CCCCCC1	854281595	YEDSBOPJELNWLZ-UHFFFAOYSA-N	301.456	1.831	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCc1cc(=O)c(O)co1	754545172	HYISFINTCAGANZ-WZUFQYTHSA-N	313.265	1.701	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@@H](CC#N)C2)c1	852319963	UEDNGNQMHMXRFY-AWEZNQCLSA-N	314.389	1.382	50	20	DDGD	
Cn1cc(CCNC(=O)NC[C@@]2(C)C[C@H]2Br)cn1	856825498	HQXSNPJVANDKFM-ZYHUDNBSSA-N	315.215	1.435	50	20	DDGD	
C#CCCN(CCOC)C(=O)NC[C@@]1(C)C[C@H]1Br	856961429	ZLJLIRIRMRDWDN-DGCLKSJQSA-N	317.227	1.841	50	20	DDGD	
Cc1cccc(OCCCC(=O)NNC(=O)c2cc[nH]n2)c1	855361823	JIBSIXCUZLVYFS-UHFFFAOYSA-N	302.334	1.338	50	20	DDGD	
C[C@]1(CNC(=O)c2ccc(C(N)=O)cn2)C[C@@H]1Br	857403842	VBJXYYVAFFJKIS-JOYOIKCWSA-N	312.167	1.084	50	20	DDGD	
N#CSCCCNC(=O)[C@H]1CCS(=O)(=O)c2ccccc21	854359043	CBNBFRCFNMIWAS-LBPRGKRZSA-N	324.427	1.668	50	20	DDGD	
C[C@@H]1CCN(C[C@H](CBr)C2CC2)[C@H](C(N)=O)C1	859261445	NWCLWTCIMNTOGH-USWWRNFRSA-N	303.244	1.993	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc(-n2ccnn2)cc1	760264549	RPYWYUITXYLVNA-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H](C)c2cnn(C)c2)n1	762906846	AJFSDTHEJQVLBL-NSHDSACASA-N	317.397	1.303	50	20	DDGD	
Cc1cc(C(=O)OCC(=O)NNC(=O)c2cccs2)oc1C	768128838	CSHSMMNMEGREJJ-UHFFFAOYSA-N	322.342	1.576	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)N[C@H]1CC[S@@](=O)C1	762326685	QTZQULPLQSBIHS-SXPOAWKSSA-N	307.297	1.251	50	20	DDGD	
O=C(COC/C=C\c1ccccc1)NNc1ncc(F)cn1	760906844	URHFARDZTGGIPC-DAXSKMNVSA-N	302.309	1.789	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2nc(C)cc(C)n2)ccc1C	864690309	MYTZASBNVZZVEW-UHFFFAOYSA-N	314.345	1.945	50	20	DDGD	
C=CC(=O)N(C)CC(=O)NNc1ccc(C(F)(F)F)cn1	860937761	DWKIZAVSLRAZRS-UHFFFAOYSA-N	302.256	1.188	50	20	DDGD	
Cn1nc(C2CCOCC2)cc1NC(=O)NNC(=O)C(C)(C)C	861516214	CEVDCRZFEAEYFS-UHFFFAOYSA-N	323.397	1.513	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNC(=O)c2cccc(C#N)c2)n1	865164460	FNDNLYLALDCAKQ-NSHDSACASA-N	311.345	1.161	50	20	DDGD	
COC/C=C/C(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	867852217	DIYOQJSFNVVKEY-QBBOHKLWSA-N	312.753	1.457	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)c1ccc2ccccc2n1	864383172	URKNWCSZLYGVEE-UHFFFAOYSA-N	301.346	1.811	50	20	DDGD	
Cc1nc(C(=O)NNc2nc3ccccc3n2C)ccc1C#N	1117760419	YMNMZCZFYSLMFL-UHFFFAOYSA-N	306.329	1.905	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1cccc([C@@H]2CCOC2)c1	761177627	SXJSQTQCZQEFQO-CQSZACIVSA-N	311.341	1.660	50	20	DDGD	
CC[C@@H](C)n1nc(C(=O)NNc2nccnc2OC)cc1C	764482293	RNWBHAAZNQHCHP-SECBINFHSA-N	304.354	1.718	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc(Cl)cc1Br	760445989	DPWCJPBHIGBGJI-UHFFFAOYSA-N	306.547	1.676	50	20	DDGD	
Cc1cccc(NNC(=O)NCCCn2nc(C)cc2C)n1	874992333	ZNRNRJGWUXMADF-UHFFFAOYSA-N	302.382	1.920	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H](C[C@H](C)O)c1ccccc1	875375730	ABAPBURQXFICLP-AAEUAGOBSA-N	309.366	1.454	50	20	DDGD	
COCCOCC(=O)NN=Cc1coc(-c2ccc(C)cc2)n1	872401109	GVFIRVVCDYYOLJ-UHFFFAOYSA-N	317.345	1.763	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@@H](C)Oc2ccccc2)cc[nH]1	875288512	VNFIIJVMLDFWRC-CYBMUJFWSA-N	300.362	1.906	50	20	DDGD	
COc1cc(C(C)=NNC(=O)C[N+](C)(C)C)ccc1SC	1116887161	OVCAIWQMSASMOX-UHFFFAOYSA-O	310.443	1.964	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1ccc(O)c(O)c1	777904166	JZHCYEHJUHSEFX-UHFFFAOYSA-N	309.322	1.073	50	20	DDGD	
Cc1ccc(NC(=O)c2cccc(B(O)O)c2)cc1N1CCCC1	874942694	QZKAQRKDCFITAH-UHFFFAOYSA-N	324.189	1.527	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NCC1CC=CC1	875797876	CFQVJQLZUMFECW-LLVKDONJSA-N	321.352	1.890	50	20	DDGD	
O=C(NNC(=O)C1(F)CCOCC1)c1ccc(Cl)cc1O	878339591	DCLWJHZWGDXEMK-UHFFFAOYSA-N	316.716	1.325	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCC[C@@H]1c1ccc(F)cc1	779815783	AMMFDEYFGIEDMP-GFCCVEGCSA-N	307.325	1.921	50	20	DDGD	
CCOCC1(C(=O)NNC(=S)Nc2ccccc2OC)CC1	873769515	SINAJDGPAAPFHJ-UHFFFAOYSA-N	323.418	1.830	50	20	DDGD	
CC(C)C(=O)N[C@@H](CO)C(=O)NNc1cc(Cl)ccc1F	871271681	VKTPHYVAZZBNLS-NSHDSACASA-N	317.748	1.055	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2CCC(=O)NC2)c(C)c1	873757981	FGNFAKRAQJTPCF-LLVKDONJSA-N	320.418	1.147	50	20	DDGD	
Nc1cnnc(NNC(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)c1Cl	1116764806	IGYOPFPUXPIDHO-CIUDSAMLSA-N	310.789	1.775	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NNC(=O)Cc2nc3ccccc3n2C)C1	776336516	JGHWMXMVLHAZRZ-NEPJUHHUSA-N	314.389	1.699	50	20	DDGD	
CCOc1nc(C(=O)NNC(=O)CCc2ccccc2O)co1	776141712	PFCDBIJRABHJFO-UHFFFAOYSA-N	319.317	1.173	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@@H](CC)c1cc(F)ccc1F	775454107	KQNGYQLOKLBGDC-ZANVPECISA-N	313.348	1.951	50	20	DDGD	
CC(C)CO[C@H](C)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	772019592	HKUQERAOLIISOG-NWDGAFQWSA-N	316.398	1.173	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CCOCc1ccccc1	772040107	YRLMUDDYZKYWBI-LBPRGKRZSA-N	322.361	1.082	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1cnn(CC(F)(F)F)c1	775631826	KKLQRJGESOWCEZ-UHFFFAOYSA-N	319.222	1.523	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNc2ncccn2)cc1F	773719451	KKBKFLGVVLISEM-UHFFFAOYSA-N	319.296	1.096	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCO[C@@H]2COCC[C@@H]21	888779317	DUTFJYPEDUTDCE-AXFHLTTASA-N	320.227	1.812	50	20	DDGD	
NC(=O)NCc1cn([C@]2(Cl)C[C@@H]2CCBr)nn1	881384020	YPCYFMSVCYMCAE-IMTBSYHQSA-N	322.594	1.143	50	20	DDGD	
C[C@H](CBr)CN1CCN(C[C@H]2CCCO2)CC1	770645825	LNLLGNHKDWJYMM-CHWSQXEVSA-N	305.260	1.814	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CC[C@](O)(c2ccc(F)cc2)C1	776913481	RFQWSJHTMIDWKA-MRXNPFEDSA-N	323.368	1.506	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)c1cccnn1)C1=CCCC1	883685695	NVAGOWVCGXZWQM-UHFFFAOYSA-N	303.366	1.557	50	20	DDGD	
O=C(C1CCCC1)N1CC[C@H](NS(=O)(=O)CCCCl)C1	881991554	SXHMCKJUGBSBFJ-LBPRGKRZSA-N	322.858	1.326	50	20	DDGD	
Cn1nc(CNC(=O)NNc2ncncc2F)cc1C1CC1	1122215067	ROPCFYUQHAIHLC-UHFFFAOYSA-N	305.317	1.053	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)[C@@H]1C[C@H]1c1cccc(F)c1	882664894	OOJFDAWSXKKBKE-QWHCGFSZSA-N	314.382	1.678	50	20	DDGD	
C[C@]1(CNC(=O)N2C[C@H]3[C@@H](O)CC[C@H]3C2)C[C@H]1Br	889410748	AWOPFFLANXACTL-VLLVSFFDSA-N	317.227	1.572	50	20	DDGD	
Cc1ncoc1C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	772951594	DBDMWUWQYHESMM-SECBINFHSA-N	323.736	1.865	50	20	DDGD	
CSC1(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCC1	775740913	OSVLOQPLHWRXMW-UHFFFAOYSA-N	309.347	1.642	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1n[nH]c(C)c1[N+](=O)[O-]	777773087	SWJXVGQTNNZOLD-UHFFFAOYSA-N	319.277	1.170	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1F)[C@H]1CCc2nnnn2CC1	885106866	KWBANLJJVPXAAG-QMMMGPOBSA-N	324.747	1.561	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn(C)c2C2CC2)cc1O	882048887	VYCJHRSCIWMSBW-UHFFFAOYSA-N	314.345	1.386	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1ccncc1F	788556199	GUBCMMMBELYOFY-UHFFFAOYSA-N	316.321	1.891	50	20	DDGD	
CC(C)[C@H](O)C1(CNS(=O)(=O)CBr)CC1	782476757	GSTMONBRXNKFGA-QMMMGPOBSA-N	300.218	1.055	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cc(N(C)C)ccn2)c1	780795768	CPWVJGHTSDKPBF-UHFFFAOYSA-N	314.345	1.691	50	20	DDGD	
COc1cccc(NNC(=O)NCCCC(=O)OC(C)(C)C)n1	780026649	ZIFVLLMRRWVKJE-UHFFFAOYSA-N	324.381	1.838	50	20	DDGD	
Cn1ccc2cccc(NC(=O)NNC(=O)c3cnccn3)c21	788314407	HKEYYCIVIAXSKH-UHFFFAOYSA-N	310.317	1.435	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)c1cc2nn[nH]c2cc1F	781924619	PLRJBIKFPTZIIZ-UHFFFAOYSA-N	322.303	1.824	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)NC[C@@H](C)C#N	781946021	XXOUCNRTMQBQIM-JTQLQIEISA-N	322.390	1.277	50	20	DDGD	
Cc1nc(CNC(=O)NC[C@]2(C)C[C@@H]2Br)n[nH]1	895923412	PABMBIUCRRQADS-XVKPBYJWSA-N	302.176	1.086	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)/C=C/c1cccc(Cl)c1	782478202	JOKYMDVDIJZMMD-BQYQJAHWSA-N	317.798	1.806	50	20	DDGD	
O=C(NN=C1CC(c2cccc(F)c2)C1)[C@H]1CCS(=O)(=O)C1	781586284	IVVFONATUDDNCN-PXYINDEMSA-N	324.377	1.610	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@H](O)c1ccc(Cl)cc1	899997086	GWJLHVDGEHPFKZ-JTQLQIEISA-N	315.826	1.667	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1scc(C)c1Cl	791598920	YFDACUDMPPOVOF-ZETCQYMHSA-N	318.782	1.813	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccccn1)c1ccc2c(c1)OCO2	794200201	YKUYXNBJDIQZOO-SNVBAGLBSA-N	313.313	1.375	50	20	DDGD	
C#Cc1cncc(C(=O)NNC(=O)c2c[nH]c3ccccc23)c1	798153724	BYLQLZVITHSSBO-UHFFFAOYSA-N	304.309	1.619	50	20	DDGD	
Cc1cccc(C(=O)NNC(=S)NCCc2cccnc2)n1	795014387	YWFXSPJXLFCEIZ-UHFFFAOYSA-N	315.402	1.137	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1cccc2c1ccn2C	792380335	PWRHSGDINNSTID-UHFFFAOYSA-N	323.356	1.964	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H](c2ccccc2)N(C)C)n1	794083060	FHFLEDDMEPGXCF-HNNXBMFYSA-N	312.373	1.454	50	20	DDGD	
CCNC(=O)NNC(=O)c1scc(C)c1Br	792592840	ZFICILCOIFLARC-UHFFFAOYSA-N	306.185	1.783	50	20	DDGD	
Cc1cccc(C(=O)NNC(=S)NCC(C)(C)CN(C)C)n1	795011029	BMWLZXUHGUPOIV-UHFFFAOYSA-N	323.466	1.087	50	20	DDGD	
C#CCOc1ccccc1C=NNC(=O)c1ccc(O)c(O)c1	794556239	RQEYMBPQCCUNPW-UHFFFAOYSA-N	310.309	1.874	50	20	DDGD	
Cn1c(=NNC(=O)CCc2ncc[nH]2)sc2ccccc21	791205368	MPRSKJYPVAGCAZ-UHFFFAOYSA-N	301.375	1.528	50	20	DDGD	
CCNc1ccc(Cl)cc1C(=O)NNc1nnc(C)c(O)n1	792215424	FZGSRNXPOXOAMS-UHFFFAOYSA-N	322.756	1.728	50	20	DDGD	
CCS(=O)(=O)c1ccc(C(=O)NNc2ncccc2C)cc1	791210840	CFJKMQKREZITAB-UHFFFAOYSA-N	319.386	1.941	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCOc3cc(F)ccc32)CC1	794939636	LLMAXAMBCBJYEF-UHFFFAOYSA-N	306.341	1.269	50	20	DDGD	
COC(=O)Cc1cccc(NC(=O)NNC(=O)C2CCCC2)n1	792409860	RCVSTHLVUQNJPJ-UHFFFAOYSA-N	320.349	1.140	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2ccc(F)cc2F)cc1	1319042461	BHNPCYNVCNSWKS-UHFFFAOYSA-N	320.295	1.977	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@](C)(O)[C@H](C)c1ccccc1	1319319279	AEPGBAKRHJCRHU-ABAIWWIYSA-N	309.435	1.445	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccc(N2CCCCCC2)cc1	1327146283	NIQMYKCQXDSYPM-UHFFFAOYSA-N	320.393	1.602	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)NCC2CCC2)C[C@H]1Br	1328935365	PSSXFAOGQXZGRN-SKDRFNHKSA-N	303.200	1.192	50	20	DDGD	
CCOCCONC(=O)NNC(=O)c1ccccc1Cl	1321434191	NUKIEJZDIIECBS-UHFFFAOYSA-N	301.730	1.252	50	20	DDGD	
C[C@@H](NC(=O)CCl)c1ccc(S(=O)(=O)N(C)C)cc1	1323268923	IKTOLLDQYVZQQY-SECBINFHSA-N	304.799	1.353	50	20	DDGD	
NC(=O)C[C@@H]1CCCN(C[C@H](CBr)C2CC2)C1	1328756683	SQROTEQCCCXITC-JQWIXIFHSA-N	303.244	1.995	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)Nc2sc(C)nc2C)n1	1320391534	ZGCXGJLWAUZSPZ-UHFFFAOYSA-N	320.378	1.249	50	20	DDGD	
CNc1ccc([N+](=O)[O-])cc1C(=O)NNc1ncncc1Cl	1320655291	NGOJJSXZDXSALF-UHFFFAOYSA-N	322.712	1.837	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)Nc2nocc2C)cc1	1320260109	RWFLIMDNRJHMSK-UHFFFAOYSA-N	320.305	1.223	50	20	DDGD	
CN[C@@H](C)CCNC(=O)NNC(=O)COc1cc(C)ccc1C	1328726638	VYZDQIVQXGEPHJ-ZDUSSCGKSA-N	322.409	1.011	50	20	DDGD	
C#CC[C@@H](CCOC)NC(=O)NNc1ccc(C(C)(C)C)nn1	1331555247	NWNBGXJPKDLTQO-LBPRGKRZSA-N	319.409	1.829	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1Cc2ccc(C)cc2S1	1333573171	DOYIEFNOTURELJ-AWEZNQCLSA-N	302.399	1.963	50	20	DDGD	
Cn1ccc(NNC(=O)[C@H]2COc3ccc(Cl)cc3C2)n1	1339437457	IPEDCGPVMPKMJM-SNVBAGLBSA-N	306.753	1.768	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)[C@H]1CCCCO1)c1ccc(F)cc1F	1261265092	SUIAPTGLUWZWTK-NOZJJQNGSA-N	312.316	1.785	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NC/C=C\C1CC1	1344461516	KCSGYVGQHXDISV-PLNGDYQASA-N	313.361	1.553	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)Cc1cc2ccccc2[nH]1	1340897201	FUXBWYHISIZDMC-NSHDSACASA-N	302.378	1.546	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)c2ccccc2Cl)n(C)n1	1342489739	LJIXATYQVWVLBX-UHFFFAOYSA-N	321.768	1.526	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C[C@H]2CCC(=O)[C@H]2C)cc1	1344414533	AGRKQTAISKYLEU-CMPLNLGQSA-N	304.346	1.462	50	20	DDGD	
Cc1ccc(NNC(=O)CCc2cncnc2)cc1C(=O)O	1600463017	UVHBVQTUNVFBEN-UHFFFAOYSA-N	300.318	1.559	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)O	1605618542	LSCICBDYYJHTIK-WTNCMQEWSA-N	322.292	1.218	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CCc3c[nH]nc3C2)c(F)c1	1608904125	IXEKQHUQGHKFSV-MRVPVSSYSA-N	318.308	1.495	50	20	DDGD	
Cc1cnc(COCC(=O)NNc2cccc(C(=O)O)c2)o1	1600621759	PMOJVZOCOQGRBJ-UHFFFAOYSA-N	305.290	1.341	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H](NC(N)=O)C(C)(C)C)cc1C(=O)O	1600462153	FGKIAFUOYHTNPF-LLVKDONJSA-N	322.365	1.219	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2ccc(/C=C/C(=O)O)cc2)CC1	1601059062	UQKRRVSYAWZOQR-ZZXKWVIFSA-N	318.354	1.629	50	20	DDGD	
O=C(CCc1ccccc1C(=O)O)NN=c1cc[nH]cc1Cl	1601291071	WJSHOAUKRORMMU-UHFFFAOYSA-N	319.748	1.931	50	20	DDGD	
C[C@H](NS(=O)(=O)CCCCl)[C@@H]1C[C@H](C(=O)O)C1(C)C	1603251001	XCEVENLXPHVVQR-LPEHRKFASA-N	311.831	1.670	50	20	DDGD	
C[C@]1(C(=O)NC[C@H]2[C@@H](C(=O)O)C2(F)F)C[C@@H]1Br	1604488598	ZHJKILWAOLFCNA-JXBXBTJBSA-N	312.110	1.242	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2cccc(C(=O)O)c2)n1	1610518640	LBVGQLIGTLCGRO-UHFFFAOYSA-N	314.301	1.555	50	20	DDGD	
CSc1cccc(NNC(=O)[C@@H]2CN3CCN2C[C@H]3C)c1	1548673005	XLXQFBSISWUKPD-RISCZKNCSA-N	306.435	1.240	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C(=O)NN=C1COCC1(C)C	1549313000	DLQISMSVBKIYLE-WCQYABFASA-N	320.393	1.416	50	20	DDGD	
CC(C)[C@@H]1N(C)C[C@]12C[C@H](O)[C@H](NC[C@@H]1[C@@H](C)[C@H]1Cl)C2	1550663981	IUHSNWQSRIFPIL-ZWFSKFMGSA-N	300.874	1.929	50	20	DDGD	
CN(NC(=O)[C@@H]1C[C@H](C(F)(F)F)CN1)C(=O)OC(C)(C)C	1578505865	BNFZUBODZCBYMF-YUMQZZPRSA-N	311.304	1.425	50	20	DDGD	
Cn1c(=NNC(=O)Cc2ccccc2N)sc2ccccc21	1579939826	DAHJZIAYDLNSCT-UHFFFAOYSA-N	312.398	1.997	50	20	DDGD	
Cc1ccsc1CCCC(=O)NNC(=O)[C@H]1CCCNC1	1579815354	NYPCOFTXZSPDNG-LBPRGKRZSA-N	309.435	1.526	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)C(C)(C)F)C1	1842849552	BKCGMEMTLHAEQR-SNVBAGLBSA-N	304.793	1.955	50	20	DDGD	
C[C@@H](CC(=O)O)NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	1589001952	PWCBOZHYFMYKIG-HMHCLHNZSA-N	323.393	1.396	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2ccon2)C1	1842540173	ORQVWUBGFHGEPN-JTQLQIEISA-N	311.769	1.509	50	20	DDGD	
N#C/C(=C\c1cc(-c2nn[nH]n2)cs1)C(=O)[C@@H]1CCCOC1	1592662430	FGOXYNPKIIHNRL-BZFUBLJMSA-N	315.358	1.831	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNc1ccc(F)c(C(=O)O)c1	1599796418	NMIDJFBLXVXZAF-SNVBAGLBSA-N	302.327	1.081	50	20	DDGD	
C[C@H]1CC[C@@H](NC(=O)NNc2ccc(F)c(C(=O)O)c2)CN1	1594315383	WUHYXAGPENAOQJ-WCBMZHEXSA-N	310.329	1.291	50	20	DDGD	
COC[C@@H](NC(=O)NNc1ccc(CC(=O)O)cc1)C(C)C	1599175039	VIIVXWPVAKNWNL-CYBMUJFWSA-N	309.366	1.611	50	20	DDGD	
CC1(CNC(=O)NNc2ccc(C(=O)O)c(F)c2)CCNCC1	1594019589	JQVPHTXZHUXVKT-UHFFFAOYSA-N	324.356	1.540	50	20	DDGD	
CCn1ncc(C=NNC(=O)Nc2ccc(C(=O)O)cc2)n1	1776045547	RXJNCHGEYUDMPX-UHFFFAOYSA-N	302.294	1.152	50	20	DDGD	
CC(CCCCCCC(=O)O)=NNC(=O)c1ccc(=O)n(C)c1	1776103402	HCNUEBZLELVMDN-UHFFFAOYSA-N	321.377	1.916	50	20	DDGD	
CCOc1cc(C=NN(C)C(=O)OC)ccc1OCC(=O)O	1776058912	KFHVIJLCHIBDHQ-UHFFFAOYSA-N	310.306	1.581	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1ccc(OCC(=O)O)c(Cl)c1	1776054929	GNXHIKFDFDXQCT-UHFFFAOYSA-N	314.725	1.024	50	20	DDGD	
Cn1ncc(C(=O)O)c1C=NNC(=O)c1c[nH]c2ccccc12	1776019131	GXKDKHZLYYNUID-UHFFFAOYSA-N	311.301	1.364	50	20	DDGD	
O=C(/C=C/c1ccco1)NNC(=O)c1cc(Br)c[nH]1	8122794	HLAAYFWJUZCESW-ONEGZZNKSA-N	324.134	1.845	50	20	DDGD	
N#CC1(C(=O)NNc2nc(C(F)(F)F)cs2)CCOCC1	152795564	WQVLHZICAOLSBM-UHFFFAOYSA-N	320.296	1.925	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)n1	152504761	BTHNUNGVDKSJJZ-JHJVBQTASA-N	305.382	1.677	50	20	DDGD	
C[C@](O)(CNC(=O)NNC(=O)c1ccccc1)c1cccs1	153501831	RHDWSKUHZGFYHH-HNNXBMFYSA-N	319.386	1.600	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cccc2c1CCC2	156140399	WEAKOONIORZGOL-UHFFFAOYSA-N	317.389	1.241	50	20	DDGD	
N#Cc1ccc(NNC(=O)C2CCN(c3cnccn3)CC2)cc1	155692903	PRJYLSGEVSXAQF-UHFFFAOYSA-N	322.372	1.708	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccc(F)c(C(F)(F)F)c1	155918116	YBVUDRWSRZHZRJ-UHFFFAOYSA-N	309.219	1.380	50	20	DDGD	
CCc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccccn1	154286071	QXFXHELTZPZINO-UHFFFAOYSA-N	312.329	1.044	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC[C@@H](CN2CCCC2)C1	866853905	JSKYQRWOPAUPBL-ZDUSSCGKSA-N	322.902	1.999	50	20	DDGD	
CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cccc(B(O)O)c1	584942082	HLENQOKASBYEDA-CQSZACIVSA-N	311.190	1.807	50	20	DDGD	
O=C(O)CCC(=O)NNC(=O)c1ccc(Cl)cc1Cl	59498245	KPNQXZXBJSEGAV-UHFFFAOYSA-N	305.117	1.619	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NNC(=O)CCc1ccccc1	109150532	UNKAZOGGTMXAMP-UHFFFAOYSA-N	306.366	1.027	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2CCCO2)cc1	27740444	DCJYHSMJYZTJSH-RISCZKNCSA-N	322.361	1.179	50	20	DDGD	
O=C(Cn1nnc(-c2ccccc2)n1)NNc1ccc(F)cc1	54567803	FNVPALFPDPREPL-UHFFFAOYSA-N	312.308	1.623	50	20	DDGD	
O=C(NNc1cnccn1)c1ncccc1OCC(F)(F)F	176296444	WQXGKKZSVBKOCJ-UHFFFAOYSA-N	313.239	1.570	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1	176711985	YSFAKBSBFZCHQE-HNNXBMFYSA-N	324.384	1.882	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CC(=O)NNc1ccc(F)cc1F	113430033	FIUGLMHUSTUKDG-UHFFFAOYSA-N	311.248	1.521	50	20	DDGD	
COc1ccc(CN(C)[C@@H](C)C(=O)NNC(=O)CC(C)C)cc1	109825063	XGLMBQMCHNDEMC-ZDUSSCGKSA-N	321.421	1.709	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2nccc3ccccc23)n1	60201133	DIMLQCHQZWLQRF-UHFFFAOYSA-N	323.356	1.509	50	20	DDGD	
COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2ccn(C)n2)cc1	179420600	ZZWKDYUYIICKPP-UKTHLTGXSA-N	310.313	1.752	50	20	DDGD	
CC(=O)[C@H]1CC(C(=O)NNc2cnccn2)=NN1c1ccccc1	114879684	ANKXPERTUANKNZ-CQSZACIVSA-N	324.344	1.144	50	20	DDGD	
NC(=O)NC(=O)COC(=O)CCCC[C@@H]1CCSS1	22207534	WHUHEPRNCIJSOX-MRVPVSSYSA-N	306.409	1.439	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccc(C#N)cc1)c1cccc(O)c1	112456799	OIQHBVJOEHTWQJ-NSHDSACASA-N	324.340	1.969	50	20	DDGD	
CN(C)C(=O)c1cccc(C(=O)NNc2nccnc2Cl)c1	114895571	BONMZVGDUUNUEG-UHFFFAOYSA-N	319.752	1.589	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)COc1cc(C)ccc1C	66307041	JRRMMSGKCMOFNB-CQSZACIVSA-N	320.389	1.811	50	20	DDGD	
COCCCNC(=O)NNC(=O)C1(Cc2ccccc2)CC1	175791184	PFUOQJAFBINEOC-UHFFFAOYSA-N	305.378	1.376	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)COc1ccc(C)cc1	126384204	GTFJGKRMAUFEIE-ZDUSSCGKSA-N	306.362	1.502	50	20	DDGD	
COc1cc(C)sc1C(=O)NNc1ncnc2nc[nH]c12	173934399	XOTYAVDLYZLKCJ-UHFFFAOYSA-N	304.335	1.488	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)COc2ccccc2C#N)CC1	174963137	PWMWRQUNDZWQOD-UHFFFAOYSA-N	316.361	1.458	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccccc1C(F)(F)F	32260463	NQMSHFZJBRDONL-JTQLQIEISA-N	302.252	1.645	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](C)c2cn(C)nc2C)s1	75971134	UNTPZNKXDIUYPC-VIFPVBQESA-N	321.406	1.804	50	20	DDGD	
CCOc1ccccc1C(=O)NNC(=O)CNc1ccccc1	73302099	XQBGPHCDFOGMRI-UHFFFAOYSA-N	313.357	1.958	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)C[C@H]1CCS(=O)(=O)C1	184376876	IMUJQMOISODAHK-SNVBAGLBSA-N	300.355	1.402	50	20	DDGD	
Cc1nn(C)c(C)c1-c1cc(C(=O)NNc2ccncc2)[nH]n1	180486834	OMOOZQBEEHDRNW-UHFFFAOYSA-N	311.349	1.579	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1csc(-c2cnccn2)n1	77315010	ZQIBHVXNBPBMCD-UHFFFAOYSA-N	305.363	1.407	50	20	DDGD	
CC(C)(C)OCc1cc(C(=O)NNC(=O)c2ccncc2)no1	184712522	CFMXYVJFCIBRJD-UHFFFAOYSA-N	318.333	1.460	50	20	DDGD	
O=C(NNC(=O)c1cc(Br)ccc1O)c1ccc[nH]1	120932415	RTADFQNZBRVGSE-UHFFFAOYSA-N	324.134	1.558	50	20	DDGD	
CC[C@@H](CSC)NC(=O)NNC(=O)Cc1ccc(F)cc1	181485639	NRTALZWWYNDOJU-LBPRGKRZSA-N	313.398	1.840	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1nc(C(C)C)ncc1Cl	124278257	JLRPWGUTGYPVJO-UHFFFAOYSA-N	313.789	1.998	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	73066737	BIKALIYOZYBXSJ-NFAWXSAZSA-N	318.373	1.343	50	20	DDGD	
CC[C@H]1CCCC[C@H]1OCC(=O)NNC(=O)c1cnn(C)c1	185676027	AJHJMWFWIRBOGJ-WCQYABFASA-N	308.382	1.167	50	20	DDGD	
COCc1cccc(NC(=O)NNC(=O)c2ccncc2)c1	183622368	UMZSGPXPYAIXAE-UHFFFAOYSA-N	300.318	1.695	50	20	DDGD	
CC(=O)N(CCC(=O)NNc1ccccn1)Cc1ccccc1	181190660	LYSLUAJLFYJZRS-UHFFFAOYSA-N	312.373	1.964	50	20	DDGD	
COc1ccc(-c2nc(C(=O)NN(C)C(N)=O)cs2)cc1	181073203	YGYCXQJZWQDDCW-UHFFFAOYSA-N	306.347	1.474	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1cnc(-c2ccco2)s1	186121905	MDEDSTZNAOITCX-UHFFFAOYSA-N	317.330	1.130	50	20	DDGD	
CN(C)C(=O)NNC(=O)COc1cccc(C(F)(F)F)c1	193159264	NGPCULTXNLUORU-UHFFFAOYSA-N	305.256	1.387	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@H](C)CCC(C)C)n1	42999801	ARFDDGAMWQEPJK-LLVKDONJSA-N	309.414	1.655	50	20	DDGD	
CCc1ccc(O)c(C(=O)NNC(=O)c2ccc(C#N)cc2)c1	133103968	XIWWOHAITJDKDT-UHFFFAOYSA-N	309.325	1.901	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCCCCC(N)=O)cc1	89357080	DXHGGHVTDROADB-KAMYIIQDSA-N	315.373	1.764	50	20	DDGD	
NNC(=O)[C@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1	194392893	HUECJBBRZPUWON-YSKGHYERSA-N	307.781	1.724	50	20	DDGD	
CN(C)Cc1ccc(C(=O)NNc2nc3ccccn3n2)cc1	191922322	QZKHCXGTXFVISW-UHFFFAOYSA-N	310.361	1.548	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1c(C)nc2sc(C)cn12	193752621	RTFGPWFFNFKNJK-IZZDOVSWSA-N	304.375	1.682	50	20	DDGD	
CC(C)c1cccc(OCC(=O)NNC(=O)c2ccc[nH]2)c1	97252277	NUERDCQZCSNXFT-UHFFFAOYSA-N	301.346	1.978	50	20	DDGD	
CCN(C(C)=O)c1nc(/C=C(/C#N)C(=O)NCCOC)cs1	255161865	VKCZJHOJYHESNA-XFFZJAGNSA-N	322.390	1.185	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@]12CCc1ccccc12)c1ccncc1	266522020	DZJCAZRCWLMSSK-MAUKXSAKSA-N	307.353	1.747	50	20	DDGD	
COCCCNC(=O)NNC(=O)C[C@@H]1CCc2ccccc2C1	264941983	SBQYTINHDOQLIC-CYBMUJFWSA-N	319.405	1.549	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)CCc2ccc(OC)cc2)O1	268232374	LTDFMKXGZWZODG-HIFRSBDPSA-N	320.389	1.733	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	268849299	PHQYFRZRSXAFKX-QMMMGPOBSA-N	317.292	1.169	50	20	DDGD	
CCC[C@@H](C(=O)NNC(=O)COc1ccccc1O)C(C)C	270673065	QGXVOBKCNXHKIW-GFCCVEGCSA-N	308.378	1.991	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H]2CCc3[nH]ncc3C2)n1	270199310	DYCGQAXPZIZXJE-QMMMGPOBSA-N	306.757	1.410	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)c2ccc3ccccc3n2)CCO1	271835757	AGAMUJRQKWDWNU-DGCLKSJQSA-N	313.357	1.811	50	20	DDGD	
C[C@H]1C(=O)CC[C@H](C(=O)NNC(=O)NCc2ccco2)C1(C)C	275435663	DMEQIRGDWKKIHZ-CMPLNLGQSA-N	321.377	1.751	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N(C)CCCCCO)cc(C#N)n1C	279527173	MKPMGWNEYHMBSX-OQLLNIDSSA-N	314.389	1.733	50	20	DDGD	
C[C@@H](NC(=O)C1CCCC1)C(=O)NNc1cc(Cl)ccn1	272155166	BCAYKDVHHOCDEW-SECBINFHSA-N	310.785	1.873	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)C(=O)Nc2c(C)c(C)nn2C)c1	275671707	HGUVAKSALBJXGM-UHFFFAOYSA-N	315.377	1.736	50	20	DDGD	
O=S(=O)(CBr)NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12	272806036	MCSXPGFNTLVQBR-QJPTWQEYSA-N	316.220	1.844	50	20	DDGD	
CCN(CC)CCNC(=O)NNc1cccc(C(=O)OC)c1	272657379	LXGIJUPLORAWRD-UHFFFAOYSA-N	308.382	1.441	50	20	DDGD	
CCCC(=O)N1CSC[C@@H]1C(=O)NNc1ncccc1C	276763662	RUOXHRSNMCIYTD-LLVKDONJSA-N	308.407	1.535	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1nc(C(C)C)c(C)s1	281415550	ZOFSOWMNYATSLC-UHFFFAOYSA-N	312.464	1.799	50	20	DDGD	
CSSCCNC(=O)N1CC[C@H](c2nccn2C)C1	375166546	JQNXZIUBIJVCOR-JTQLQIEISA-N	300.453	1.930	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCCC2CCOCC2)n1	282189365	KQXLQZMMPWMTPX-UHFFFAOYSA-N	305.378	1.748	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CC(C)(C)O)cc1	280130046	ZBGBRXXJOFMVNX-NSHDSACASA-N	324.377	1.161	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)NCC(F)(F)F)c1ccccc1	281259651	OXOCBWKOPDRRHG-SNVBAGLBSA-N	319.283	1.657	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)C2CC2)cc1OC	280387302	ADOHCOHWNIUBQS-UHFFFAOYSA-N	307.306	1.045	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@@](C)(O)CCc1ccccc1	283025401	ZDJRZSRVMICVBZ-KRWDZBQOSA-N	315.373	1.170	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1	286206896	DUSNUPCKVLBNSO-UHFFFAOYSA-N	308.334	1.985	50	20	DDGD	
COCC1(C(=O)NNC(=O)CNc2ccc(C)cc2C)CCC1	287012504	HMSMSUXPOYCKIX-UHFFFAOYSA-N	319.405	1.679	50	20	DDGD	
COc1cccnc1CC(=O)NNc1ccc([N+](=O)[O-])cc1C	805373726	AFILUXUVONFWJB-UHFFFAOYSA-N	316.317	1.993	50	20	DDGD	
COc1cc(CCNC(=O)NNc2ccncn2)ccc1C	296237091	BQHYLTUSLVZUHL-UHFFFAOYSA-N	301.350	1.662	50	20	DDGD	
CC[C@@H](C)[C@@H](CNC(=O)NNc1cncc(Cl)n1)OC	298093567	LSQQWUVRVXFOEJ-RKDXNWHRSA-N	301.778	1.817	50	20	DDGD	
COc1nccc(NC(=O)NNc2ccc([N+](=O)[O-])cc2C)n1	806438902	UATDHELRAGIIHL-UHFFFAOYSA-N	318.293	1.850	50	20	DDGD	
O=C(COc1c(Cl)cccc1Cl)NNC(=O)NC1CC1	299263090	YYHGBXHZIKHPBL-UHFFFAOYSA-N	318.160	1.865	50	20	DDGD	
O=C(NCc1ccc(OCC2CC2)nc1)NNc1ccncn1	296248546	GGERPOWNTODZPH-UHFFFAOYSA-N	314.349	1.487	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCCO2)Nc1cccnc1	804031826	ULIKLFSDUYVPRA-UHFFFAOYSA-N	314.301	1.319	50	20	DDGD	
CC1CCN([C@H](CNC(=O)NNc2ccncn2)C(C)C)CC1	296561495	KSQSWWVBERDZEP-CQSZACIVSA-N	320.441	1.859	50	20	DDGD	
COc1ccc([C@H](O)CNC(=O)NNC(=O)C(C)(C)C)cc1	298692930	RUIZUAZLUKZBFX-GFCCVEGCSA-N	309.366	1.105	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNC(=O)COc1ccc(C)c(C)c1	809933724	RSTOTFXMPKPOJQ-MRXNPFEDSA-N	306.362	1.157	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)C2=Cc3ccccc3OC2)O1	294291149	QFTMFKCLVUKEQN-HZMBPMFUSA-N	302.330	1.177	50	20	DDGD	
C=CCOc1ccccc1C(=O)NNC(=O)[C@H]1CCCCO1	295369413	JVSXEJIXFWCBLS-CQSZACIVSA-N	304.346	1.582	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccccc1Cn1cccn1	817081395	DEQCUHTVMCUNPU-UHFFFAOYSA-N	312.308	1.617	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1ccc(NC(=O)c2ccccc2)cc1	816631805	FXDOZQSSKOHMCF-UHFFFAOYSA-N	322.328	1.814	50	20	DDGD	
Cc1ccc(NNC(=O)c2cn(C3CCOCC3)nn2)cc1	810044349	USZLLICHLYLYCC-UHFFFAOYSA-N	301.350	1.695	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)Nc1ccc2c(c1)OCO2	814993270	ZFAQCJHBELDEPE-SNVBAGLBSA-N	318.333	1.581	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2ccccc2C(=O)OC)c[nH]1	815953412	RXDBVSWYCIRDMA-UHFFFAOYSA-N	317.301	1.345	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)c2ccc3ccccc3n2)n1C	811629117	SGYCHLHNFJBQQV-UHFFFAOYSA-N	322.372	1.798	50	20	DDGD	
CON(C)C(=O)CNC(=O)NNc1ccc(Cl)cc1Cl	817790343	BYJSNZCPTSXNAW-UHFFFAOYSA-N	321.164	1.639	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	813575239	PYNHDEJRXNYPFV-VHSXEESVSA-N	323.349	1.487	50	20	DDGD	
COC(=O)C(C)(C)CC=NNC(=O)C(=O)Nc1ccc(C)cc1	814768070	HFQBRMSBTKTQMA-UHFFFAOYSA-N	319.361	1.625	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)c1cc2c(s1)CCC2	812452301	DRTOYAQZVHRTOY-ZJUUUORDSA-N	310.419	1.916	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)Nc1cc2n(n1)CCCC2	823357248	WYJMPLWJKXDSQI-UHFFFAOYSA-N	318.312	1.220	50	20	DDGD	
O=C(NCC1CCN(CC2CC2)CC1)NNc1ncccn1	824212254	BVFUINVESGIEML-UHFFFAOYSA-N	304.398	1.225	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CC23CCSCC3)nc1	827420766	UKDQRKJXKNFROY-LLVKDONJSA-N	321.402	1.845	50	20	DDGD	
CN(NC(=O)[C@@H]1CCC(=O)c2cccn21)C(=O)OC(C)(C)C	497202825	PGKMYUGPITWZRN-NSHDSACASA-N	307.350	1.904	50	20	DDGD	
COC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C	495408654	STRITKVKVDWREM-VIFPVBQESA-N	303.359	1.313	50	20	DDGD	
CCCN(CC)C(=O)c1ccc(C(=O)NNC(=O)C(C)C)cc1	729300231	PAOXXYXKHKZDSI-UHFFFAOYSA-N	319.405	1.976	50	20	DDGD	
CCn1ncc(C)c1NC(=O)NNC(=O)c1cccc(C)n1	825150634	IRLKWFHSEAFHJS-UHFFFAOYSA-N	302.338	1.381	50	20	DDGD	
CCOC(=O)N1CC[C@H](NS(=O)(=O)CCCCCl)C1	495502480	JVDOAXRAWQUOCI-JTQLQIEISA-N	312.819	1.156	50	20	DDGD	
COc1cc(O)ncc1C(=O)NC[C@]1(C)C[C@H]1Br	826859167	PFUITFHTZNROKE-SKDRFNHKSA-N	315.167	1.699	50	20	DDGD	
CCSCC[C@H](C)NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	826114752	UKRFEHLIKVUXSO-DCAQKATOSA-N	303.428	1.274	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc2c(c1)nc(O)n2CC	823763656	ZUKWSQBZOGYOIQ-UHFFFAOYSA-N	319.365	1.506	50	20	DDGD	
CCn1ccc(NC(=O)NNC(=O)COc2cccc(C)c2)n1	824938376	IOLFRUKYGPYTJY-UHFFFAOYSA-N	317.349	1.443	50	20	DDGD	
COC(=O)N(C)N=Cc1ccc(C=NN(C)C(=O)OC)cc1	495614538	ZNMRZEMZEHCKBG-UHFFFAOYSA-N	306.322	1.751	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1cccc2ccoc12	829763591	OKQJALWNZKSAPJ-UHFFFAOYSA-N	311.363	1.725	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC(=NNC(=O)c2ccnnc2)CC1	497230222	RSRLNQBQMIDENP-UHFFFAOYSA-N	319.365	1.593	50	20	DDGD	
C#CCCCC(=O)NN=Cc1ccc(OC(F)(F)C(=O)O)cc1	901324229	JXSZZVUPNVZDJE-UHFFFAOYSA-N	324.283	1.996	50	20	DDGD	
NC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ccc(Br)c(F)c1	907461485	LQHMECWBKYLRQT-RQJHMYQMSA-N	316.130	1.153	50	20	DDGD	
CC[C@H]1[C@@H](C(=O)NNC(=O)OC)CCN1C(=O)OC(C)(C)C	496599105	GRJBUYCFFZQFMA-UWVGGRQHSA-N	315.370	1.409	50	20	DDGD	
CCOC(=O)NNC(=O)c1cn(-c2cc(C)cc(F)c2)nn1	496331680	YOVCIJNCFFGPCU-UHFFFAOYSA-N	307.285	1.106	50	20	DDGD	
O=C(NNc1ccccc1Cl)c1ccc(-c2nn[nH]n2)[nH]1	826449138	DADMAFQGWROVKE-UHFFFAOYSA-N	303.713	1.605	50	20	DDGD	
CC(C)C[C@@H](NC(=O)O)C(=O)NNc1ccc([N+](=O)[O-])cc1	824210814	JRQVWGWDSZFTBJ-LLVKDONJSA-N	310.310	1.720	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1	495406388	CVDLOCPAZJEVDC-UHFFFAOYSA-N	306.105	1.319	50	20	DDGD	
COC(=O)NNC(=O)c1cc(C)cc(C(=O)OC(C)(C)C)c1	496279624	ZFLNBFMDFGFJFA-UHFFFAOYSA-N	308.334	1.951	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCCc3c(F)cc(Cl)cc32)o1	585044309	FDDHUZWREJIAOZ-AWEZNQCLSA-N	323.560	1.919	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N(C)CCC(=O)O)cc(C#N)n1C	738192556	YNMVSQFBHCFNPA-SDQBBNPISA-N	300.318	1.045	50	20	DDGD	
CC(C)CN1CCN(C(=O)[C@@]2(C)C[C@H]2Br)CC1=O	907542331	YWKSWDQVWXSHLI-MFKMUULPSA-N	317.227	1.487	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CC(F)(F)C(F)(F)C2)cn1	491106674	SYTXKALSNQZEHL-XNWCZRBMSA-N	302.231	1.440	50	20	DDGD	
OB(O)c1ccc(CNC[C@H]2CCC[C@@H](C(F)(F)F)C2)o1	585026327	LSLAZAHUFBEKCL-VHSXEESVSA-N	305.105	1.418	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N2CCN(C)CC2)c2c1CCC2	830240624	GMHIVABVOGXTBX-UHFFFAOYSA-N	316.405	1.086	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H](C)Cc1cnn(C)c1	837406707	JVNKBXFOGLIPGD-LLVKDONJSA-N	316.361	1.069	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CC23CCOCC3)c(F)c1	837207433	NHULPJPMBPSORE-LLVKDONJSA-N	322.336	1.872	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NCC(C)(F)F)cc1	836480010	VFUITTIVVBRJTG-UHFFFAOYSA-N	302.281	1.686	50	20	DDGD	
C[C@H]1C[C@H]1c1ccc(CNC(=O)c2cc(B(O)O)ccc2F)o1	584932011	MPRQDYOAMYIKOY-JOYOIKCWSA-N	317.125	1.152	50	20	DDGD	
COCCOCCC(=O)NNc1ccc(C(=O)OC)cc1F	837209581	PKWXTIKCJZNVJZ-UHFFFAOYSA-N	314.313	1.109	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(F)cc1)c1nnc2n1CCC2	730935815	YIGWZYLFGMTIDW-SECBINFHSA-N	304.329	1.751	50	20	DDGD	
COC1CCN(CCNC(=O)[C@@]2(C)C[C@@H]2Br)CC1	906931581	ZWLDTBSIIXCCFA-AAEUAGOBSA-N	319.243	1.387	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)NC2CC2)c(-c2ccccc2)n1	900382378	CCIITZNBBJQIMB-UHFFFAOYSA-N	313.361	1.676	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(C[C@H](C)O)c1ccccc1	731849647	BWEFBJQXHHQXHT-KBPBESRZSA-N	321.421	1.456	50	20	DDGD	
Cc1csc([C@@H](NC(=O)c2cccc(B(O)O)c2)C2CC2)n1	584953852	YFPKIWVFGWCDKF-ZDUSSCGKSA-N	316.191	1.012	50	20	DDGD	
Cc1ncsc1CCNC(=O)NNc1ccc(Cl)nn1	836578372	RAFBQPAYPUTWOL-UHFFFAOYSA-N	312.786	1.764	50	20	DDGD	
C[C@H]1CCCC[C@H]1N1CCC(=NNC(=O)NCC(=O)O)CC1	833611423	JFUMANVRXSGTKH-WCQYABFASA-N	310.398	1.401	50	20	DDGD	
CC(C)CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1	730577017	YJEBTAPTBBUEHD-CQSZACIVSA-N	322.430	1.988	50	20	DDGD	
CCN(CC)C(=O)CCCNC(=O)[C@@]1(C)C[C@H]1Br	906179737	XQYWPIHXLAGACT-MFKMUULPSA-N	319.243	1.925	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=C1CCN(C(=O)O)CC1	831562249	KELNLGODLWKLRQ-UHFFFAOYSA-N	315.333	1.123	50	20	DDGD	
CC(C)n1ccc(C(=O)NNC(=O)c2ccc(Cl)nc2)n1	733133897	HMFQQCHQBWSDQC-UHFFFAOYSA-N	307.741	1.587	50	20	DDGD	
CCCN(C)CC(=O)NNC(=O)CNc1ccc(C)cc1C	730104523	POBWDAUYSBUPJF-UHFFFAOYSA-N	306.410	1.205	50	20	DDGD	
Cc1ccc2c(c1)[C@@H](NC(=O)NNC(=O)Cc1cccnc1)CC2	730130141	BTHXRSYWKLEECK-INIZCTEOSA-N	324.384	1.950	50	20	DDGD	
COc1ccc([C@@H](NCc2cccc(B(O)O)c2)C(C)C)cc1	585015241	UGCIYFBAAORBFD-SFHVURJKSA-N	313.206	1.862	50	20	DDGD	
CNC(=O)NNC(=O)CCc1nc2cc(Cl)ccc2s1	730536962	YQYVPNNCPAKIST-UHFFFAOYSA-N	312.782	1.843	50	20	DDGD	
CCS(=O)(=O)CC(C)=NNC(=O)c1cccc2ncccc12	733747424	LWLADKIDDZEJJX-UHFFFAOYSA-N	319.386	1.775	50	20	DDGD	
C[C@H](N)C[C@@H](C)NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	831197405	NLRVMPJJUAKECW-ANBUCNSHSA-N	322.453	1.659	50	20	DDGD	
O=C(CSCc1ccccn1)NNC(=O)CC(F)(F)F	918367352	SVVQGWZLAPNHEF-UHFFFAOYSA-N	307.297	1.415	50	20	DDGD	
C[C@@H](CNS(=O)(=O)CCl)c1nc(-c2ccccc2)no1	830972072	CWVVVVAQUBJDSH-VIFPVBQESA-N	315.782	1.956	50	20	DDGD	
CN1CCC[C@H](CCNC(=O)NNc2ncc(F)cc2F)C1	838772134	PCTASJWQEIQWHY-SNVBAGLBSA-N	313.352	1.718	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1C[C@@H](C)C[C@@H](C)C1	748629829	DOWPCQQZWBLCDW-XQHKEYJVSA-N	315.414	1.193	50	20	DDGD	
Cc1cnn(CC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1	918690753	SKRTUAKWIMBKKT-UHFFFAOYSA-N	314.389	1.950	50	20	DDGD	
CN(C)C(=O)NNC(=O)CN(C)c1nc2ccccc2s1	847403143	SCZVTWNJPOSVDM-UHFFFAOYSA-N	307.379	1.035	50	20	DDGD	
CCN(CC)c1ccc(C(=O)NNC(=O)NCC2CC2)cc1	916249379	IARHKJSMRDURJT-UHFFFAOYSA-N	304.394	1.887	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cc1c[nH]c2ccc(F)cc12	843650271	AIPHOALDOCGWFD-JOYOIKCWSA-N	319.336	1.422	50	20	DDGD	
O=C(CNC(=O)N1CCCC1)NNc1cc(Cl)ccc1F	913735477	ULRPBZCCBCNQAB-UHFFFAOYSA-N	314.748	1.728	50	20	DDGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(F)c(S(N)(=O)=O)c1	840715724	CUZLQRJBOCAAQG-CAXXOGMASA-N	310.350	1.995	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1ccccc1F)[C@H]1CCOC1	743655986	XCXLATZDFWKRTA-JQWIXIFHSA-N	309.341	1.124	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H]1CS[C@H](C)C1	840418995	NHRJTWQOWAXPQX-ZJUUUORDSA-N	309.391	1.533	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccc(OC2CCC2)c(F)c1	841135741	NTVOKGUOPQFWLH-UHFFFAOYSA-N	324.356	1.649	50	20	DDGD	
CS(=O)(=O)c1ccc(C=NNC(=O)C2CCCC2)s1	841618303	RTBQRKYYQFDSNT-UHFFFAOYSA-N	300.405	1.792	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc(-n2cccc2)c1	843649241	UCMGXPJMCSEXSH-DOMZBBRYSA-N	313.357	1.663	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1cccc(F)c1	916362764	ODASMPXJGLVJSM-GFCCVEGCSA-N	307.369	1.634	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1C[C@H]1c1cccc(O)c1	843964725	GTWJQZNCVSQKKI-WBMYTEFPSA-N	304.346	1.068	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)c1cnc2sccn2c1=O	743816862	NMCUQAIVTJUZDE-UHFFFAOYSA-N	321.749	1.561	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCN(C(=O)OC(C)(C)C)C1CC1	910141284	RQYDVDBIRIFPML-LLVKDONJSA-N	315.414	1.120	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccc(-n3ccnc3)nn2)cc1	748117013	YPAJVUIWSMOCQT-UHFFFAOYSA-N	305.301	1.291	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(OCc2ccncc2)cc1	910146620	LJJBGDPWIYBHFK-ZDUSSCGKSA-N	315.373	1.618	50	20	DDGD	
CO[C@@H](C(=O)NN(C)C(N)=O)c1ccccc1Br	847635478	DBKBHKDRSAGAMF-SECBINFHSA-N	316.155	1.178	50	20	DDGD	
Cc1cccc(C)c1NCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843979180	MORPPRAUDBGLMM-QWHCGFSZSA-N	305.378	1.288	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(C(C)(F)F)cc1	843663431	YPSCHGHMVQFVAM-BXKDBHETSA-N	312.316	1.984	50	20	DDGD	
CC(C)(CNS(=O)(=O)CBr)OCC1CC1	841560460	LVGVBJLWQGWFJY-UHFFFAOYSA-N	300.218	1.463	50	20	DDGD	
Cc1ncc(C(=O)NNc2ccccc2Br)c(N)n1	749267453	HWHRDAUYPJWMKM-UHFFFAOYSA-N	322.166	1.887	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@H]1NC(=O)O[C@H]1C	841413964	OHTIOQSPKDZGQX-CABZTGNLSA-N	300.318	1.483	50	20	DDGD	
CCC(N)(CC)CNC(=O)NNC(=O)Cc1ccccc1F	841953917	FXTGWUNVQNUWFK-UHFFFAOYSA-N	310.373	1.216	50	20	DDGD	
CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)NNC(=O)c1ncccn1)C2	842174991	LKFKLRRHMBPHFG-USBNGQNGSA-N	317.393	1.635	50	20	DDGD	
CN1Cc2ccccc2[C@H](NC(=O)NNC(=O)C(C)(C)C)C1	757026677	IQTORKKLXJQJMD-CYBMUJFWSA-N	304.394	1.550	50	20	DDGD	
CCON1CCC(CC(=O)NNc2ncc(Cl)cn2)CC1	857730898	YCCGHPVWRKKBFC-UHFFFAOYSA-N	313.789	1.627	50	20	DDGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)[C@@H](O)C1CC1	854195113	AWDJHCBNQMWHER-LBPRGKRZSA-N	314.794	1.350	50	20	DDGD	
COC[C@H](C)CS(=O)(=O)NC[C@@]1(C)C[C@@H]1Br	856754237	DTKAHSIHJFEXDB-LPEHRKFASA-N	314.245	1.362	50	20	DDGD	
O=C(NN=Cc1ccnn1CC1CC1)c1ccc2c(c1)OCO2	853261247	HINWJQMUOAGVJK-UHFFFAOYSA-N	312.329	1.786	50	20	DDGD	
Cc1ccc2c(c1)CCC2=NNC(=O)CNC(=O)c1ccco1	750937718	WFHOOXJKXLQPQN-UHFFFAOYSA-N	311.341	1.785	50	20	DDGD	
C[C@](O)(CC(=O)NNc1nc(-c2cccnc2)no1)C1CC1	755885380	WANBDEZNPGXCOF-AWEZNQCLSA-N	303.322	1.126	50	20	DDGD	
CCC1(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)COC1	755049982	UHTMTMKSIVYNSA-JTQLQIEISA-N	310.325	1.167	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cccc2c[nH]nc12	855093289	KKHFFCYQBCOEDS-UHFFFAOYSA-N	303.391	1.472	50	20	DDGD	
COc1ccccc1C(C)=NNC(=O)C(=O)Nc1ccccn1	758386805	BCZAHQFRLLSFOD-UHFFFAOYSA-N	312.329	1.569	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCCCCC1)c1cnn(C)c1	920827435	LSRZMMNTWQEASI-CYBMUJFWSA-N	305.426	1.772	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Cc2ccn(-c3ccccc3)n2)n1	756908629	MKSURAGGPYBISH-UHFFFAOYSA-N	322.372	1.965	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CN2[C@@H](C)CC[C@H]2C)nc1	759738525	PEXMTKDQLSAMOQ-PHIMTYICSA-N	306.366	1.184	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)c1cnc2n1CCCC2	750794672	LWZWACQKYZYDTG-UHFFFAOYSA-N	308.345	1.920	50	20	DDGD	
CO[C@@]1(CNC(=O)NNc2cc(F)ccc2F)CCOC1	921984549	INZIHVLONZPVGC-CYBMUJFWSA-N	301.293	1.396	50	20	DDGD	
CC(C)c1cccc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1	853285565	WNTWCWRWBHQYMH-CQSZACIVSA-N	308.403	1.695	50	20	DDGD	
COCc1nn(C)cc1C(=O)NC[C@@]1(C)C[C@@H]1Br	857385493	INDAQBIVGRKZCE-CMPLNLGQSA-N	316.199	1.470	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1cccc(-n2cccc2)c1	756335564	HMCMXIGGOOFJEV-UHFFFAOYSA-N	324.344	1.975	50	20	DDGD	
C[C@]1(CNC(=O)NNc2cccnn2)C[C@H]1Br	856898733	FSDQOZOXIBINAI-GMSGAONNSA-N	300.160	1.276	50	20	DDGD	
CC[C@H](COC)NC(=O)NNc1ccc([N+](=O)[O-])cc1F	853770321	HRSSFSMJRCOBPL-MRVPVSSYSA-N	300.290	1.785	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)C(C)(C)C)CC1(C)OCCO1	758855243	BWOYPZRVEBNSMD-SNVBAGLBSA-N	301.387	1.152	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](C)OCCC(C)C)nc1	759740383	VUURWTKHMWDRLO-NSHDSACASA-N	309.366	1.763	50	20	DDGD	
O=Cc1ccc(CC(=O)NNC(=O)NC2CCCCC2)cc1	858130768	XWXCJJPNDYSSDB-UHFFFAOYSA-N	303.362	1.705	50	20	DDGD	
CNC[C@@H]1CCCN(C(=O)NC[C@]2(C)C[C@@H]2Br)C1	857105209	GKDTXHWANNDJBC-GVXVVHGQSA-N	318.259	1.801	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCO2)NNc1ncccc1[N+](=O)[O-]	759301891	HBHCQMRMWJQHCY-UHFFFAOYSA-N	314.301	1.611	50	20	DDGD	
O=C(CN1CCCNC1=O)NNc1nc(C(F)(F)F)cs1	755858073	JUDVMFMGEINQHI-UHFFFAOYSA-N	323.300	1.020	50	20	DDGD	
CO[C@@]1(C)C[C@@H](N(C)CC(=O)NNC(=O)C(C)(C)C)C1(C)C	752302216	MVRUTTXYEZKFLK-BZNIZROVSA-N	313.442	1.315	50	20	DDGD	
CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)NNc1ccncn1	852694233	QZBBDJXKYUSFOQ-IINYFYTJSA-N	307.354	1.225	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=S)N[C@H](C)C1CC1)c1ccccc1	855101129	QGIOQDLTUSAKBS-BDJLRTHQSA-N	321.446	1.842	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccc2c(c1)OCCO2)C1CCC1	756108908	NWUKLZUNXFRPHW-JTQLQIEISA-N	319.361	1.590	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12	930717797	KTNAANZZLGMVKF-ZBEGNZNMSA-N	316.361	1.027	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)c1ccc(OC)c(OC)c1	758822693	DRVMJVISJDZUQO-UHFFFAOYSA-N	324.377	1.528	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cnn(C(C)(C)C(=O)OC)c1	856088708	SOBNBJULJUEFMP-MDZDMXLPSA-N	306.322	1.174	50	20	DDGD	
CO[C@@H]1Cc2ccc(NC(=O)NNC(=O)c3ccc[nH]3)cc2C1	758053599	FLHLFCBPEUAIAA-CYBMUJFWSA-N	314.345	1.595	50	20	DDGD	
C[C@@H](NNC(=O)[C@@H]1CCN(CC(F)(F)F)C1)C(F)(F)F	862317693	LTPIWAZOAZTTRE-RNFRBKRXSA-N	307.238	1.442	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1nc2c(s1)CCCC2	761254231	NNCDYQNQGZQQSJ-UHFFFAOYSA-N	306.391	1.141	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)c1cc2n(n1)CCC2	862288969	UBYNVLKVCLKBBL-UHFFFAOYSA-N	314.345	1.743	50	20	DDGD	
CN(NC(=O)c1ccc(NC(=O)OC(C)(C)C)nc1)C(N)=O	860516893	QOCDITQPRALCKV-UHFFFAOYSA-N	309.326	1.084	50	20	DDGD	
CC(C)n1nccc1C(=O)NNc1nc(-c2cccnc2)no1	765478163	CCUJTQWASXMTOQ-UHFFFAOYSA-N	313.321	1.666	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)Nc1cnn(CC(N)=O)c1	767033513	DOQWVZVQWLUXHC-SECBINFHSA-N	317.187	1.117	50	20	DDGD	
CO[C@@H]1COCC[C@H]1CNS(=O)(=O)CC(C)(C)CCl	867344031	CNMGGEJAXRIYJI-WDEREUQCSA-N	313.847	1.222	50	20	DDGD	
C#CCNC(=O)[C@@H](C)OC(=O)[C@@H](Br)C(C)(C)C	766752077	OTZDXTCXVDYMBI-RKDXNWHRSA-N	304.184	1.477	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C(C)c1ccnn1C	765993341	MGKDAGNQOJEWPA-UHFFFAOYSA-N	301.350	1.381	50	20	DDGD	
C[C@@H](NNC(=O)c1nn(C)cc1Br)C(F)(F)F	862321612	YVGXOPFGRFYCLA-SCSAIBSYSA-N	315.093	1.368	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccnn1CCC(C)C	930948869	IWNZMCVTPDPIFM-UHFFFAOYSA-N	305.382	1.885	50	20	DDGD	
CCC[C@@H]1C[C@H]1NC(=O)NNc1ccccc1S(C)(=O)=O	765803056	NRINTMXDMLZYQJ-ZYHUDNBSSA-N	311.407	1.905	50	20	DDGD	
CCn1nc(C=NNC(=O)C(=O)NC(C)C)c2ccccc21	769779020	YNDZKPKAAPKXJJ-UHFFFAOYSA-N	301.350	1.031	50	20	DDGD	
CCC(=O)N1CC[C@H](NC(=O)[C@H](Br)C(C)(C)C)C1	768271076	GDACMYZOHCZKIG-ONGXEEELSA-N	319.243	1.923	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cc(-c2ccccc2O)[nH]n1	863858756	RCAXIHYMSQPJEJ-UHFFFAOYSA-N	302.334	1.589	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@@H]1COC(C)(C)O1	769216282	OROKZAUTJHLFKE-LLVKDONJSA-N	315.801	1.620	50	20	DDGD	
CC1(C)CC(=NNC(=O)[C@H]2CCC(=O)N2)c2sccc2O1	863149825	GOBRWDCKFNQRHA-MRVPVSSYSA-N	307.375	1.408	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1CC(=NNC(=O)c2cn[nH]c2)C1(C)C	863153787	CQWPXOLZLOZDNG-SNVBAGLBSA-N	321.381	1.819	50	20	DDGD	
CCOCn1nc(C)c(CC(=O)NN[C@@H](C)C(F)(F)F)c1C	869375998	ANZVQOPBHUNMJR-JTQLQIEISA-N	322.331	1.608	50	20	DDGD	
CN(C)c1ccc(NC(=O)C(=O)NNC(=O)C2CCCC2)cc1	764077802	UWNYCBOXYPTZDF-UHFFFAOYSA-N	318.377	1.029	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2n[nH]c3cc(C(=O)O)ccc23)n[nH]1	765583299	HHPXUBSHVXRNDJ-UHFFFAOYSA-N	312.289	1.057	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)[C@H](C)C2)cc1	1116413648	DQDXPGNJIILVJS-ZYHUDNBSSA-N	304.346	1.462	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2ccccc2OC)n(C)n1	874449836	DXIYIDYPOIPOLK-UHFFFAOYSA-N	302.334	1.066	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)Cc2cncn2C)c1	873756785	MTSPCIIGLRJGDW-UHFFFAOYSA-N	317.418	1.597	50	20	DDGD	
COCCOCC(=O)NN=C1C[C@H](C)N(Cc2ccccc2)C1	872402065	SYRKZDSOGKJBKI-AWEZNQCLSA-N	319.405	1.416	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(CC(=O)NCCCSC#N)C1	773588335	NLADVFJMOAKMSA-UHFFFAOYSA-N	313.423	1.964	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1nncn1Cc1ccccc1	872385021	ZNVHDVNXFQCSDB-GXTWGEPZSA-N	313.361	1.202	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1cccc(C(F)(F)F)c1	779815880	CXVVNRKYUMJXHB-UHFFFAOYSA-N	317.267	1.902	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)NCC(F)F	879759602	SWEVEARUWJZDKI-UHFFFAOYSA-N	319.333	1.383	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)N[C@H]1CC12CCC2	873068807	ALXTUBQNGMFZKJ-NSHDSACASA-N	324.425	1.202	50	20	DDGD	
CCCN(C)CC(=O)NNc1ccnc(Br)c1	771551337	DRXRBHHISWNFOF-UHFFFAOYSA-N	301.188	1.629	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cc(-c2ccccc2)no1	883061387	SCNPZVQURPDNGE-UHFFFAOYSA-N	315.329	1.529	50	20	DDGD	
O=C(Cc1ccncc1)NNc1ccnc(Br)c1	771540290	IJCYBOCVENYPRQ-UHFFFAOYSA-N	307.151	1.925	50	20	DDGD	
O=C(NN=Cc1cccc2nccn12)[C@H]1COc2ccccc2O1	771089472	RJXWZWKKTPZNND-OAHLLOKOSA-N	322.324	1.624	50	20	DDGD	
CC(C)(CCC(=O)NNC(=O)c1cccnn1)c1ccccc1	882056667	BXGWVXAHOFXKML-UHFFFAOYSA-N	312.373	1.996	50	20	DDGD	
C[C@H](CBr)COC(=O)CN1CCCCCC1=O	770303520	HMZZKYPOOREGSV-SNVBAGLBSA-N	306.200	1.963	50	20	DDGD	
C=C/C=C/CCNC(=O)NNC(=O)COc1ccc(OC)cc1	883911970	DQFBBDRMFOHPGR-SNAWJCMRSA-N	319.361	1.537	50	20	DDGD	
CN1CCN(C(=O)NC[C@@]2(C)C[C@H]2Br)CC1(C)C	883733708	CYPRDHVDKTUBKN-ZWNOBZJWSA-N	318.259	1.896	50	20	DDGD	
CC1=C(C(=O)NNc2cc(F)ccc2F)S(=O)(=O)CCO1	885142669	GTQSWFUDHXXPOA-UHFFFAOYSA-N	318.301	1.084	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@@H](CF)C2)c1	880234557	GHYJSXPRNLBDMQ-ZDUSSCGKSA-N	307.369	1.438	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C(C)c2cc(C)nn2C)c1	788966966	NBEFFUHENXWWEV-UHFFFAOYSA-N	316.361	1.900	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1C1CC1)c1cc(Cl)ccc1O	787866715	UBTPQNMCZMKHSZ-GFCCVEGCSA-N	323.780	1.433	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C(C)c1coc(C)n1	788952432	UOHUPSWSLDTZDY-UHFFFAOYSA-N	302.334	1.944	50	20	DDGD	
CC(C)(C)CC(=O)NN=C1CCCc2nc(O)c(C(N)=O)cc21	789004617	VNHNERVVBOYPHU-UHFFFAOYSA-N	318.377	1.479	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cn(C)nc1-c1cccs1	887146820	MJHQQARBPUFOHW-UHFFFAOYSA-N	316.386	1.713	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(S)n1)[C@@]1(C)CCCO1	782183776	CMFFQUNICMGDPO-CYBMUJFWSA-N	310.379	1.075	50	20	DDGD	
C=C[C@@H]1CCCCN1CC(=O)NNC(=O)c1cccc(C#N)c1	785996944	HNUHGJBZSKSULI-OAHLLOKOSA-N	312.373	1.360	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1F)c1cc(C)nn1C	788953438	BNVWQLRKXAGBEZ-UHFFFAOYSA-N	304.325	1.787	50	20	DDGD	
C[C@H]1CCc2[nH]nc(C(=O)NNc3ncc(Cl)cn3)c2C1	899041552	IERGKUNWTRXPDI-ZETCQYMHSA-N	306.757	1.735	50	20	DDGD	
COc1coc(C(=O)NNc2ccc3ccccc3n2)cc1=O	798990595	XNYXXAYZOHADSW-UHFFFAOYSA-N	311.297	1.954	50	20	DDGD	
CSc1cccc(F)c1C(=O)NNC(=O)c1c[nH]nc1C	798959856	PRBUWKOWSZFQAD-UHFFFAOYSA-N	308.338	1.654	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cccc(C)n2)cn1	794752291	RTXBJVMJONCUEL-UHFFFAOYSA-N	301.306	1.260	50	20	DDGD	
O=C(NNC(=O)c1conc1C1CC1)c1cccc([N+](=O)[O-])c1	798149988	MTVGVDWIVWVYJS-UHFFFAOYSA-N	316.273	1.535	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CC(F)(F)F)c1ccc2c(c1)OCO2	794241665	LDQRCKLARRIVIO-ZETCQYMHSA-N	318.251	1.619	50	20	DDGD	
COc1cc(NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1Cl	790170908	DIQQDONSQWLPMF-QMMMGPOBSA-N	318.782	1.226	50	20	DDGD	
C=CCC1(C(=O)OCC(=O)NNC(=O)c2cccs2)CCC1	791563281	UZECRUKDNMMCSJ-UHFFFAOYSA-N	322.386	1.799	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2sc(Cl)nc2C)n1	794085436	NFZUDNJWCRUGBN-UHFFFAOYSA-N	310.766	1.883	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)c1ccc(OC)c(OC)c1	794867870	MYFRVXVVOLSRDQ-HNNXBMFYSA-N	310.350	1.280	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1cnn(C(C)C)c1N	798311759	GBKFHIMDMRKTSI-UHFFFAOYSA-N	316.365	1.821	50	20	DDGD	
CC(=NNC(=O)c1nnc(-c2ccccc2)o1)c1ccc(O)nn1	790159585	LCWINOHLOOQEAX-UHFFFAOYSA-N	324.300	1.386	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cncc(OCC(F)F)c1	1319293395	WRYBHHILTRMPQU-UHFFFAOYSA-N	301.293	1.533	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)c2ccccc2Cl)ccc1C#N	1318438786	DNLCQVYMQKVSDK-UHFFFAOYSA-N	314.732	1.990	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cncc(OCC(F)F)c1	1319941695	NBNWIJZXWUATLA-UHFFFAOYSA-N	302.281	1.032	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1csc(-c2ccco2)n1	1324745345	TYEVLZVGEIOHNE-SNVBAGLBSA-N	321.358	1.733	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@H](N)CC2CCCCC2)c1Cl	1327839702	KPZAYSNIHALIMR-SECBINFHSA-N	312.805	1.453	50	20	DDGD	
C=C[C@@H](COC)NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	1325616722	XDQWZDLWRVUCML-ZZTKBFGJSA-N	321.421	1.734	50	20	DDGD	
Cc1noc(C2CCC(=NNC(=O)C3CCOCC3)CC2)n1	1330895466	HRZZLYYIPORENH-UHFFFAOYSA-N	306.366	1.934	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@H]1CCOC(C)(C)C1	1337187682	XXHIKJGSDKIYKB-AWEZNQCLSA-N	304.390	1.890	50	20	DDGD	
Cc1nc([C@@H]2CCOC2)sc1C(=O)NNc1cccnn1	1331945723	CIGXNZAADHEHLU-SECBINFHSA-N	305.363	1.502	50	20	DDGD	
O=C(/C=C\c1nccs1)NNC(=O)COc1ccccc1O	1520846553	GGPJFCLMAIFDNO-WAYWQWQTSA-N	319.342	1.088	50	20	DDGD	
Cc1cc(NC(=O)NNc2ccccc2)ncc1-c1nn[nH]n1	1605713323	LYPHFPGSJOTJNN-UHFFFAOYSA-N	310.321	1.719	50	20	DDGD	
O=C(NNC(=O)c1ccsc1C(=O)O)Nc1ccccc1	1601556122	YYNIVLQOYGCSKM-UHFFFAOYSA-N	305.315	1.913	50	20	DDGD	
O=C(O)[C@@]1(C(=O)NNc2cccc3c2CCCC3)CCCO1	1605935347	HDVZUYYVWJFADQ-INIZCTEOSA-N	304.346	1.642	50	20	DDGD	
O=C(O)[C@@H]1CCN1C(=O)[C@@]1(c2ccccc2)C[C@H]1Br	1601833978	OSCRGIDUXDJHLA-MISXGVKJSA-N	324.174	1.777	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)cc1F)Nc1ccc[n+]([O-])c1	1601558116	KLWWRAGEJBPZLK-UHFFFAOYSA-N	306.253	1.306	50	20	DDGD	
CC(C)(C)N1CC[C@@](F)(C(=O)NNc2ncccc2C(=O)O)C1	1602869044	ZSNUMXUMLSREQJ-HNNXBMFYSA-N	324.356	1.435	50	20	DDGD	
O=C(NCc1ccc(-c2cccs2)cc1)NNC(=O)C(=O)O	1601532077	NNHBBXBNZBRSMO-UHFFFAOYSA-N	319.342	1.330	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c1	1604401383	JTWUJBPYINUXJF-KOLCDFICSA-N	321.333	1.353	50	20	DDGD	
CO[C@H](C(=O)NNc1ccc(CC(=O)O)cc1)C1CCCC1	1606652067	XTWDYMIACZGXDH-HNNXBMFYSA-N	306.362	1.962	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21	1606528373	CFNLAQZDDHGXAE-MGPQQGTHSA-N	309.325	1.809	50	20	DDGD	
O=C(CCc1ocnc1C(=O)O)NNc1c(F)cccc1F	1601296668	KEFRDHGMNNTTDI-UHFFFAOYSA-N	311.244	1.727	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC2CC(CC(=O)O)C2)c1	1606618468	UKEBILZXPZNWFZ-UHFFFAOYSA-N	321.333	1.353	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(C(=O)O)c(F)c1)c1cnn(C)c1	1609768421	NRDJXVPYLVPCAM-QMMMGPOBSA-N	321.312	1.645	50	20	DDGD	
CC(C)(C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)[C@@H]1CCCCO1	1549904803	MOYSURDHRQRTJA-KKUMJFAQSA-N	323.437	1.547	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNc2ccc(C(=O)O)cn2)c1	1610455031	KCQSYMRMRNJIHA-UHFFFAOYSA-N	315.329	1.919	50	20	DDGD	
CCn1nc2c(cc1=O)CN(C(=O)C1CCC(Cl)CC1)CC2	1548665587	PFDWDUGLQXGMGY-UHFFFAOYSA-N	323.824	1.946	50	20	DDGD	
Cc1cccc(NNC(=O)CN(CCN)C(=O)OC(C)(C)C)c1	1579770999	BFNLZIGSIXGJEE-UHFFFAOYSA-N	322.409	1.634	50	20	DDGD	
C[C@H](NNC(=O)c1ccc(-c2nn[nH]n2)cc1F)C(F)(F)F	1589977387	XCBZYSVZLOPCRV-YFKPBYRVSA-N	318.234	1.191	50	20	DDGD	
CC(C)(C)[C@@H](C(=O)O)C(=O)NNC(=O)c1c[nH]c2ccccc12	1588634852	SGHKJUGORKCQBC-GFCCVEGCSA-N	317.345	1.676	50	20	DDGD	
CC(C)(C)[C@@H]1C[C@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1	1589213079	AFNRNMXNCCDXSZ-VXGBXAGGSA-N	300.366	1.992	50	20	DDGD	
CC(C)(CCl)C(=O)N1CCCC12CN(C(=O)C(F)F)C2	1841225738	FAEDFFOFVKCUHA-UHFFFAOYSA-N	308.756	1.720	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1C[C@@H]2C=C[C@H]1CC2	1593162049	GXCXNMBWFHSRIK-UHIISALHSA-N	310.361	1.912	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1cccc2[nH]nc(C(=O)O)c12	1776946208	VNIOMIBDFKHHSG-TWGQIWQCSA-N	305.315	1.560	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@@H]2CCN2C(C)(C)C)CC[C@@H]1C(=O)O	1776098736	VZTPGEGRABUYFU-WXHSDQCUSA-N	309.410	1.852	50	20	DDGD	
O=C(O)c1coc(C=NNC(=O)[C@H]2COc3ccccc3O2)c1	1776019729	NLQMAWGGMCRHLJ-CYBMUJFWSA-N	316.269	1.268	50	20	DDGD	
CCOc1cc(C=NNC(=O)C(F)F)ccc1OCC(=O)O	1776054255	ULVHIBBJBOYHJA-UHFFFAOYSA-N	316.260	1.264	50	20	DDGD	
C[C@@H]1C(=NNC(=O)c2ccc(O)nn2)CC[C@@H](C(=O)O)C1(C)C	1776047693	BQXCMDRBNAEBFH-BDAKNGLRSA-N	320.349	1.425	50	20	DDGD	
CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)CCl	1792784920	WBBFXEQHIJITJA-PTEHBNRSSA-N	316.829	1.251	50	20	DDGD	
CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCBr	1795493094	WIZKMXAYGZRKIT-JGPRNRPPSA-N	317.227	1.820	50	20	DDGD	
COC(=O)C[C@@H](NC=C(C#N)C#N)c1ccc(OC)c(OC)c1	15242100	DWOAGBJMVATOIH-CYBMUJFWSA-N	315.329	1.829	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H]1C[C@H]1c1sccc1C	163047463	OETSXVFQPYKYPD-GHMZBOCLSA-N	311.407	1.527	50	20	DDGD	
CCCCN(CC)CC(=O)NNC(=O)c1cccc(C#N)c1	164618835	CCWLKVZXVIRHRN-UHFFFAOYSA-N	302.378	1.441	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2c(O)cccc2F)n1	164947922	FPDKRHGJGSWQBP-UHFFFAOYSA-N	319.340	1.924	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2c[nH]c3c(C)cccc23)[nH]n1	153367686	BDLPQUVUHCFYHL-UHFFFAOYSA-N	311.345	1.512	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNc2ncc(F)cn2)cc1OC	157620123	ZAEJNNJFVKYAQH-GQCTYLIASA-N	318.308	1.789	50	20	DDGD	
CNc1snc(C)c1C(=O)NNC(=O)CCc1ccccc1	154167989	SSPWFMIOYKSNNB-UHFFFAOYSA-N	318.402	1.887	50	20	DDGD	
CNC(=O)CCCC(=O)NNc1ccccc1Br	156577838	GMORWIPHWRQNQH-UHFFFAOYSA-N	314.183	1.809	50	20	DDGD	
O=C(NNc1ccncc1Cl)[C@@H]1CCCN(C(=O)C2CC2)C1	154750615	LZDNLUNHONEZTB-LLVKDONJSA-N	322.796	1.827	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	154961444	INLBPRNJJOSONB-GFCCVEGCSA-N	321.352	1.727	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cc(Cl)ccc2O)cc1	10623044	JBRJSVQEJZBYIC-UHFFFAOYSA-N	315.716	1.992	50	20	DDGD	
O=C(CNC(=O)NC1CCCCC1)NNC(=O)c1ccccc1	56061676	GWLGPTLTKVRRSI-UHFFFAOYSA-N	318.377	1.080	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1cnc2ccccc2n1	170929795	VBQFGDAHAYKYLN-UHFFFAOYSA-N	321.340	1.503	50	20	DDGD	
O=C(CCN1C(=O)CCC1=O)NNc1cc(F)c(F)cc1F	172086876	BXIKVGNZCXGWMP-UHFFFAOYSA-N	315.251	1.086	50	20	DDGD	
CCN(C)[C@H](C(=O)NNC(=O)c1ccncc1)c1ccccc1	109245669	MOMLSFPNJSSUHK-HNNXBMFYSA-N	312.373	1.536	50	20	DDGD	
COC(C)(C)C[C@@H](C)NC(=O)NNC(=O)c1ccc(C#N)cc1	176075928	IYHDRMOTPIPFON-LLVKDONJSA-N	318.377	1.706	50	20	DDGD	
COCCCNC(=O)NNC(=S)Nc1ccc2c(c1)CCC2	64937320	BHLAWANWZBYYAJ-UHFFFAOYSA-N	322.434	1.712	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCn1ccc2ccccc21	65207287	XIUDVWLAXIQGOJ-UHFFFAOYSA-N	318.377	1.398	50	20	DDGD	
O=C(NNc1ccccc1)[C@H]1CC(=O)N(Cc2ccccn2)C1	111550679	PYJVRTDRJAZART-ZDUSSCGKSA-N	310.357	1.573	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cc(Cl)ccc1[N+](=O)[O-]	172680544	QOBCFSOVQXNLII-POHAHGRESA-N	309.709	1.918	50	20	DDGD	
CC(C)(C(=O)NNC(=O)C(=O)NC1CC1)c1ccccc1Cl	171523072	PKGSVCHBAILYDP-UHFFFAOYSA-N	323.780	1.044	50	20	DDGD	
C[C@H]1CCC[C@H](OCC(=O)NNC(=O)NCc2ccco2)C1	112631623	ZRFJNGOGGAVTMF-RYUDHWBXSA-N	309.366	1.705	50	20	DDGD	
Cn1c(=O)[nH]c2cc(C(=O)NNc3nccnc3Cl)ccc21	114897241	OMKMTUIOVVIJOF-UHFFFAOYSA-N	318.724	1.067	50	20	DDGD	
O=C(NNC(=O)[C@@H]1SCCc2ccccc21)c1cccnc1	173034677	CNQUKVTXCHIHCG-CQSZACIVSA-N	313.382	1.873	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)c2ccccc2OC)[nH]n1	67439792	ONHCATVEFPHGCO-UHFFFAOYSA-N	302.334	1.446	50	20	DDGD	
O=C(NNc1cccc(F)c1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O	178920778	WYMMVYMMJWNQJA-ZJUUUORDSA-N	319.258	1.726	50	20	DDGD	
O=C(NCc1cccc(CO)c1)NNc1cncc(Cl)n1	171711872	UIOSHGBPDDBWQC-UHFFFAOYSA-N	307.741	1.449	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NNC(=O)Nc1ccccc1C	65621978	ANVJONKCJBVYSU-LBPRGKRZSA-N	321.381	1.375	50	20	DDGD	
Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NNC(=O)CN(C)C	175946382	RLWCGSATSIHKNS-CYBMUJFWSA-N	320.437	1.774	50	20	DDGD	
Cn1ccnc1SCC(=O)NNC(=O)c1ccc(F)cc1	36640240	QUFQYRYKOLDKBA-UHFFFAOYSA-N	308.338	1.113	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNC(=O)CCc1ccc(OC)cc1	68512192	GMOLDGAWALXSGL-CYBMUJFWSA-N	322.405	1.980	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)c1C	126093946	UJSXDSDFLGNZTA-UHFFFAOYSA-N	305.378	1.826	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCc2cccnc2)cc(C#N)n1C	122971331	WJAIJKRTIIVVIW-LZYBPNLTSA-N	319.368	1.866	50	20	DDGD	
CCS(=O)(=O)C[C@H](C)NC(=O)/C(C#N)=C\c1ccc(F)cc1	182978184	HGJDRUIIYOALKP-LFTLCWSBSA-N	324.377	1.672	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1ccc(-n2nccn2)cc1	184057629	LXUQKTLHNLWPBE-UHFFFAOYSA-N	316.365	1.856	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccnc(F)c2)c1-n1cccc1	182416844	NXWOXZKSKDDFAR-UHFFFAOYSA-N	300.297	1.502	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)NCCc2cccs2)no1	73083356	GQJSBIJYDSRJOV-UHFFFAOYSA-N	308.363	1.160	50	20	DDGD	
CC(C)OCCCNC(=O)NNC(=O)c1cccc(N(C)C)c1	79120895	YHSNNXAAFXXUPW-UHFFFAOYSA-N	322.409	1.512	50	20	DDGD	
O=C1CN(S(=O)(=O)CCCCCl)[C@@H]2CCCC[C@H]2N1	154676421	WOFJENLFWIXEHR-GHMZBOCLSA-N	308.831	1.078	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)C(=O)Nc2cnn(C)c2C)c1	188834281	RPNLTMNCJKNMBJ-UHFFFAOYSA-N	301.350	1.427	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2ccccn2)c2ccc(F)cc2N1	181211793	SROHPAPEGKTFMV-LLVKDONJSA-N	300.293	1.790	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNC(=O)C(C)(C)C)c1ccc(F)cc1	79653657	WZTPMLFAGWZXKS-CYBMUJFWSA-N	324.400	1.805	50	20	DDGD	
CCN(C)C(=O)[C@H](C)NC(=O)NNc1ccc(Cl)c(F)c1	187871314	FHWYGYXGYHJYOQ-QMMMGPOBSA-N	316.764	1.972	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)C(=O)N1CCCC1)c1ccc(F)cc1	132191663	IPKSFHNTSPTZRL-NSHDSACASA-N	321.352	1.089	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCO[C@H](Cc2ccccc2)C1	182164054	QAKOMCMQLRTBTC-QJPKHSJYSA-N	300.358	1.900	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1ccc(C)o1	84373660	AATJBFSBWNGJJA-NSHDSACASA-N	307.350	1.140	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccnc(Br)c1	134737885	LHWVPETVNCFZHR-UHFFFAOYSA-N	315.171	1.588	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)COC2CCCC2)c1	44819623	GKWBCQONOMAHPE-UHFFFAOYSA-N	320.389	1.789	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cc[nH]n2)c1C	48017126	UHLCKEREBZTPNO-LLVKDONJSA-N	302.334	1.255	50	20	DDGD	
O=C(CCOCC(F)(F)C(F)F)NNC(=O)c1ccccc1	190309610	SMMLLVJBICPASH-UHFFFAOYSA-N	322.258	1.755	50	20	DDGD	
CN(C)N(C(=O)c1cccc2c1CCC2)[C@@H]1CCS(=O)(=O)C1	194323318	GWFOFRCPUYARTA-CYBMUJFWSA-N	322.430	1.281	50	20	DDGD	
CSCCNC(=S)NNC(=O)/C=C/C1CCCCC1	94121424	ZQDPMOYQEUOJHV-BQYQJAHWSA-N	301.481	1.981	50	20	DDGD	
CCOCCCCNC(=O)NNC(=O)c1ccc(C#N)cc1	144620184	MYDUXYQFJFUOPG-UHFFFAOYSA-N	304.350	1.319	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(C)nc3[nH]nc(C)c23)nc(C)n1	265536273	MHZIYGPTKIPXHG-UHFFFAOYSA-N	311.349	1.738	50	20	DDGD	
CN(C)[C@@H]1CCC[C@H](NC(=O)NNC(=O)c2ccccc2F)C1	267374718	KPRUGPGDFSURSF-NWDGAFQWSA-N	322.384	1.643	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)N[C@@H]3CCCC3(C)C)nc21	269262911	BRDJPPJAAUQXFB-SECBINFHSA-N	319.369	1.274	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@]12CCc1ccccc12)c1ccccn1	266526221	DJHIGINJHWYIOD-KBXCAEBGSA-N	307.353	1.747	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1	264526671	UZBXIZMNIMQUFL-UHFFFAOYSA-N	308.338	1.526	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1ccc2ncccc2c1	274193297	QMOFWDZNMYNSCK-UHFFFAOYSA-N	314.345	1.367	50	20	DDGD	
COc1ccc2c(c1)[C@H](C(=O)NNC(=O)c1cccn1C)CC2	277404927	OJISAPWOWZBLPC-CYBMUJFWSA-N	313.357	1.525	50	20	DDGD	
C=C(CBr)CN1CCC(NC(=O)C2CC2)CC1	366195034	UERUWJMKNNSZMP-UHFFFAOYSA-N	301.228	1.928	50	20	DDGD	
N#CC1=CCN(C(=O)Cc2ccnc(O)c2Br)CC1	278741441	SLXJGPKVGSYZND-UHFFFAOYSA-N	322.162	1.774	50	20	DDGD	
CN(NC(=O)NCC1(N2CCOCC2)CC1)c1ccccc1	277624529	WPFNRFQDZMEGPL-UHFFFAOYSA-N	304.394	1.202	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)NOC[C@H]1CCOC1	276315734	WTGUBXMEDIUUAL-JTQLQIEISA-N	319.317	1.345	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(C(C)=O)cc1	276610260	SKPXPONVIUGENQ-UHFFFAOYSA-N	322.361	1.439	50	20	DDGD	
CCC[C@@](C)(CC)C(=O)NNC(=O)C(=O)Nc1ccccn1	279785376	FRUNHQQYKRNYIK-OAHLLOKOSA-N	306.366	1.384	50	20	DDGD	
O=C1CCc2cc(OS(=O)(=O)CBr)ccc2N1	271414083	QBVWOHHQJASQNH-UHFFFAOYSA-N	320.164	1.632	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNc2ccc(-n3ccnc3)nn2)O1	278630037	NAEWEWVWOGHWCS-GHMZBOCLSA-N	302.338	1.063	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1)C1CC1	279900486	JEWCQLJSYYDGGZ-AWEZNQCLSA-N	314.345	1.263	50	20	DDGD	
CCCCC(=O)N1CSC[C@H]1C(=O)N1CC=C(C#N)CC1	272684276	OOAKUVIJBRFZLH-ZDUSSCGKSA-N	307.419	1.760	50	20	DDGD	
CCCN1CC[C@H](CNC(=O)NNC(=O)c2cccc(C)n2)C1	280094123	ZHODAALDPWFUSO-CYBMUJFWSA-N	319.409	1.066	50	20	DDGD	
CCOC(=O)NNC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1	377777254	DPLGJJKAESKPTK-CQSZACIVSA-N	321.377	1.055	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2CCN(CC(F)(F)F)C2)cc1	281646454	RJFDYOIBRICBOL-LLVKDONJSA-N	312.295	1.886	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2cccnn2)c2ccc(F)cc2N1	376651460	LDROJRMRFZRPII-SNVBAGLBSA-N	301.281	1.185	50	20	DDGD	
O=C(NCC(Cl)Cl)c1cc(N2CCNC2=O)ccc1F	288783900	DSVOSZHQTJDOLC-UHFFFAOYSA-N	320.151	1.889	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCN2CCC(C)CC2)n1	280429958	ZRRRCLOQKRMLGN-UHFFFAOYSA-N	319.409	1.066	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H]2CCCO2)oc2c1C(=O)CCC2	294476856	BJKAWAKSQBCCFI-NSHDSACASA-N	306.318	1.047	50	20	DDGD	
O=C(NCCCCCN1CCCCC1)NNc1ncncc1F	292521742	DXCFETHXLKTWPP-UHFFFAOYSA-N	324.404	1.898	50	20	DDGD	
CC(C)CN1CC[C@H](CNC(=O)NNc2ncccc2F)C1	805198395	OYZJDIJNLCQSHB-GFCCVEGCSA-N	309.389	1.825	50	20	DDGD	
COCC1(C(=O)NNc2cccc(C(=O)OC)c2)CCOCC1	290514127	TYJKKSCZRFEVFZ-UHFFFAOYSA-N	322.361	1.360	50	20	DDGD	
CC[C@@H](C)[C@@H](CNC(=O)NNc1nc2ccccn2n1)OC	298209606	UNBHDTFTJCYBSH-GHMZBOCLSA-N	306.370	1.417	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3	299148393	XGKXZOJKFHFQRA-SECBINFHSA-N	300.362	1.867	50	20	DDGD	
O=C(Cn1nnc(-c2ccccc2)n1)NNc1ncccc1F	804213659	DJRRZXTUUNCDQU-UHFFFAOYSA-N	313.296	1.018	50	20	DDGD	
COc1ccc(C(=O)CCCC(=O)NNC(=O)C2CC2)cc1	299251885	ZAUUXEMMJIBEFC-UHFFFAOYSA-N	304.346	1.606	50	20	DDGD	
CCc1ccccc1S(=O)(=O)NNC(=O)[C@@H]1CCCCO1	294944566	AEAOAAMYDJQGRA-LBPRGKRZSA-N	312.391	1.128	50	20	DDGD	
O=C(NNc1c(F)cccc1F)c1cnc2[nH]c(O)nc2c1	809685085	YYAYGBAHCUVVKM-UHFFFAOYSA-N	305.244	1.699	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)cc1F)NNc1cccc(F)n1	804768980	CSWFMFMBXRZRSO-UHFFFAOYSA-N	324.262	1.372	50	20	DDGD	
Cc1nc(NC(=O)NNC(=O)c2cccc(N(C)C)c2)oc1C	299252239	HUZZRWFTOANFDJ-UHFFFAOYSA-N	317.349	1.824	50	20	DDGD	
Cn1cc(/C=C\C(=O)NNC(=O)Nc2ccc(Cl)cc2)cn1	802021961	ZSJWATCKSYGFQJ-UQCOIBPSSA-N	319.752	1.940	50	20	DDGD	
C=C(CBr)CN1CC[C@@](COC)(C(=O)OC)C1	295254769	ZMMHPDBYPGGKTA-GFCCVEGCSA-N	306.200	1.449	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cc(C(C)=O)c[nH]2)cc1	802054553	IBYSHBZDKJNJIX-UHFFFAOYSA-N	316.317	1.692	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(Cl)ncc1Cl	295637986	TUWMULIBYPZKJT-SECBINFHSA-N	318.160	1.719	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)n1	809952695	CXPWUMLDZRBURO-UHFFFAOYSA-N	324.384	1.931	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCc2cccnc21)[C@@H]1CCCCO1	295292135	DLCDLHYPTOTVFF-STQMWFEESA-N	303.362	1.218	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H](C)c2ccc3c(c2)OCO3)n1	292770719	SPOGCCVLMPSKDQ-VIFPVBQESA-N	316.317	1.461	50	20	DDGD	
CSCCONC(=O)NNC(=O)Nc1cccc(Cl)c1	296946805	PKZMBTMIKPKFKS-UHFFFAOYSA-N	318.786	1.970	50	20	DDGD	
CC(=O)N/C(=C\c1ccccc1)C(=O)NNc1ncccc1F	804220323	VCYFXKAPLZKAQF-UVTDQMKNSA-N	314.320	1.841	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cc(C2CC2)n(C)n1	290435092	IFMMXZHTGMTJJM-UHFFFAOYSA-N	314.436	1.363	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2ncncc2F)C12CCCC2	292700742	OBTHTNJWNOTHLH-VXGBXAGGSA-N	323.372	1.980	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNC(=O)COc1ccc(C)cc1	809958942	SCOOSLRDBBKYIS-UHFFFAOYSA-N	322.364	1.745	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)OCC(=O)C(F)F)cc(C#N)n1C	800125654	VIMAGNZPSBTKPZ-XCVCLJGOSA-N	307.256	1.490	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802122038	ZHQBPWRQBKHWQK-UHFFFAOYSA-N	308.382	1.578	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)COCc1cccnc1	805180607	AGUKNMOFDVVQCH-UHFFFAOYSA-N	315.329	1.068	50	20	DDGD	
CC(=O)CCCCCCC(=O)NNC(=O)N=c1cc[nH]cc1	802027415	GRKNPHHBSSYQOQ-UHFFFAOYSA-N	306.366	1.586	50	20	DDGD	
C[C@@H]1C(=NNC(=O)C(=O)Nc2ccccn2)CC[C@@H]1CC(=O)O	814869606	QSPLVNSFKOFDTF-VHSXEESVSA-N	318.333	1.013	50	20	DDGD	
CCCN(CC)C[C@H](C)NC(=O)NNc1ccc(Cl)nn1	811977898	IYNSTHIMXPNCNA-JTQLQIEISA-N	314.821	1.877	50	20	DDGD	
N#Cc1cccc(NNC(=O)NCc2ccc(CC(N)=O)cc2)c1	812483965	NKWAVTWULGKRSY-UHFFFAOYSA-N	323.356	1.412	50	20	DDGD	
O=C(NCC(F)(F)F)NN=C1CCO[C@H](C(F)(F)F)C1	814812064	FYZBFCZZMRCPIL-LURJTMIESA-N	307.194	1.945	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1ccc(C#N)o1	815827512	CODVLSBKLNIXAZ-UHFFFAOYSA-N	305.315	1.312	50	20	DDGD	
O=C(CCc1ncccn1)NNC(=O)c1cccc2ncccc12	812501718	IOHVERUOPQYWOM-UHFFFAOYSA-N	321.340	1.419	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1c[nH]nc1-c1ccccc1Cl	816632524	MMYGVBAQKXXESQ-UHFFFAOYSA-N	303.713	1.605	50	20	DDGD	
COCC(=NNC(=O)NCC(=O)OC)c1cccc(Cl)c1	814900741	GLQHFUVQUQVAIJ-UHFFFAOYSA-N	313.741	1.163	50	20	DDGD	
O=C(COc1cc(F)cc(F)c1)NNc1nccnc1Cl	810407421	FMMCSLCIUADFBU-UHFFFAOYSA-N	314.679	1.930	50	20	DDGD	
CO[C@@H]1CCC[C@H](C(=O)NNC(=O)Cc2ccccc2F)C1	814409419	IBGNWOXIYXTLDS-QWHCGFSZSA-N	308.353	1.721	50	20	DDGD	
CCOc1cc(C=NNC(=O)N=c2cc[nH]cc2)ccc1O	815002694	NFAGOGTXHXSNQW-UHFFFAOYSA-N	300.318	1.763	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)c1cn(C)c2ccccc12)C1CC1	812452650	IQIFZKMSBDERPQ-QGZVFWFLSA-N	315.373	1.754	50	20	DDGD	
CON1CCC(NC(=O)NNc2c(F)cccc2F)CC1	817804899	BODBNCKXRITULL-UHFFFAOYSA-N	300.309	1.617	50	20	DDGD	
COc1ccccc1C(=O)NCC(=O)N(C)CC(Cl)Cl	816629354	JBNDOTULBFHDNP-UHFFFAOYSA-N	319.188	1.687	50	20	DDGD	
Cn1cncc1CNC(=O)NNc1ncnc2ccsc12	811925125	BPFOLMVGDAZKOV-UHFFFAOYSA-N	303.351	1.251	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2ccc(Br)o2)n[nH]1	814787195	KEIMHDGRDXWSAT-UHFFFAOYSA-N	311.139	1.766	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccc(Br)cn1	727305177	WQXFRUSNHBIPBK-UHFFFAOYSA-N	312.167	1.795	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCC1SCCS1	823411601	SWEIZUHHFVQXSS-UHFFFAOYSA-N	303.331	1.075	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)/C=C\C2CCOCC2)c1	492406136	GDAXVPQVLDXRAU-WAYWQWQTSA-N	304.346	1.899	50	20	DDGD	
O=Cc1ccc(N2CCN(S(=O)(=O)CCl)CC2)s1	829736862	QYYVUSXEWLJIES-UHFFFAOYSA-N	308.812	1.209	50	20	DDGD	
CC(C)OC(=O)[C@@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(C)C	490975807	PVMAMVVWBYVRDB-BLXFFLACSA-N	318.377	1.419	50	20	DDGD	
O=C(NCc1ccco1)NNC(=S)NCCc1cccnc1	727698102	KWPMWILVCTZCPG-UHFFFAOYSA-N	319.390	1.096	50	20	DDGD	
CCc1nnc(-c2ccc(NC(=O)NNC(=O)OC)cc2)o1	492847104	VGDIYHRUDWEEGU-UHFFFAOYSA-N	305.294	1.692	50	20	DDGD	
CN(C)CCCCC(=O)NNC(=O)Cn1ccc2ccccc21	729540567	HMAFNVPWYIRPPU-UHFFFAOYSA-N	316.405	1.521	50	20	DDGD	
COC(=O)NCc1ccc(NC(=O)NNC(=O)CC2CC2)cc1	495067588	OWYIJRGHOBDOAT-UHFFFAOYSA-N	320.349	1.495	50	20	DDGD	
C[C@@H]1CN(C(=O)/C(C#N)=C/c2cnn(C)c2)CC2(CCC2)O1	491049584	NJCLUBWMEWWCFZ-CHJAJTDHSA-N	300.362	1.497	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(Oc2cccnc2)cc1	823965855	UWAOYDRLVGAAIM-GFCCVEGCSA-N	301.346	1.831	50	20	DDGD	
COC(=O)NNC(=O)Nc1cccc(-c2nccc(C)n2)c1	491498724	KMYOMUJBILGSLH-UHFFFAOYSA-N	301.306	1.845	50	20	DDGD	
CCOC(=O)NCC(=O)NNC(=O)c1ccc2ccccc2c1	490808274	IVVWJXAPVUYSNX-UHFFFAOYSA-N	315.329	1.347	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1ccc(-c2nn[nH]n2)[nH]1	826449344	NQWZRXZKZWVLGF-UHFFFAOYSA-N	304.701	1.000	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cccc2c1ccn2C	726939297	AJMXWDGYOCJNCM-UHFFFAOYSA-N	304.350	1.159	50	20	DDGD	
O=C(CCN1CCOC1=O)NNc1cc(F)c(F)cc1F	493880587	ROEVAJOFMNSCHA-UHFFFAOYSA-N	303.240	1.389	50	20	DDGD	
Cc1oc(C(C)(C)C)cc1C(=O)NNC(=O)CN1CCCC1=O	828343955	LYBGBDMKODVXHL-UHFFFAOYSA-N	321.377	1.269	50	20	DDGD	
Cc1ccc(CC(=O)NNc2ccc(-c3nn[nH]n3)cc2)s1	826286683	LZAYGGKADZPTLI-UHFFFAOYSA-N	314.374	1.922	50	20	DDGD	
C=C(C)C(C)(C)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	821447752	KEXUAUAQCCXNGU-UHFFFAOYSA-N	318.373	1.902	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(C(=O)NC)c(Cl)c1	494367299	YSPGWWVXHMWGBV-UHFFFAOYSA-N	314.729	1.482	50	20	DDGD	
CCOC(=O)[C@H]1CCCN(CC(=O)NNc2ccc(F)cc2)C1	900091393	ZKLFEASAKZWXEX-LBPRGKRZSA-N	323.368	1.544	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1csc(-c2ncccc2F)n1	823940272	VZJZHGCUBNVSGF-MRVPVSSYSA-N	310.354	1.302	50	20	DDGD	
CCN(CCO)NC(=O)C1=C(c2ccccc2)SCCO1	823893494	KZCINPWFTZZVBR-UHFFFAOYSA-N	308.403	1.464	50	20	DDGD	
CCN(CCO)NC(=O)c1csc(-c2ccccc2F)n1	823852921	SPDNZCFECUASEN-UHFFFAOYSA-N	309.366	1.908	50	20	DDGD	
CC[C@H](c1ccccc1OC)N(C)CC(=O)NNC(=O)C(C)C	829906039	AVVXLQSFOGMVRY-CQSZACIVSA-N	321.421	1.882	50	20	DDGD	
C[C@H]1[C@@H](C)N(C(=O)[C@@]2(C)C[C@@H]2Br)CCS1(=O)=O	906744437	IOGJIAHQVNJOAF-HJGDQZAQSA-N	324.240	1.194	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCCC[C@@H]1CC(=O)O	905186465	CZSALGDJNBXFFX-SNVBAGLBSA-N	311.831	1.910	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cn[nH]c2-c2ccc(C)o2)n[nH]1	839411603	WYEAVILYEGZHTO-UHFFFAOYSA-N	312.333	1.702	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H](C)c2cccc(O)c2)n1	732890274	XQADXQBAXKNNIQ-SECBINFHSA-N	303.322	1.578	50	20	DDGD	
CCOCCONC(=O)NNC(=O)Nc1cc(F)cc(F)c1	836404947	RWYZXCPSGZBOEW-UHFFFAOYSA-N	318.280	1.269	50	20	DDGD	
CCC(CC)n1ncc(C(=O)Nc2cccc(B(O)O)c2)c1C	584913509	YJQDUWDDRWIORQ-UHFFFAOYSA-N	315.182	1.485	50	20	DDGD	
CC1(C)OCC(C)(C(=O)NNc2ccc(C(=O)O)cn2)CO1	833562026	DRTZOVBZAVPOLE-UHFFFAOYSA-N	309.322	1.012	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2C[C@@]23CCOC3)cc1F	837057819	JERJJFRWXZHHKV-XHDPSFHLSA-N	308.309	1.482	50	20	DDGD	
C[C@@H](CCc1cccc(F)c1)NCc1cccc(B(O)O)c1	585023638	OHEJNIYTTGZJDH-ZDUSSCGKSA-N	301.170	1.616	50	20	DDGD	
O=C(NNC(=O)[C@@H]1SCCc2ccccc21)[C@H]1CCCCO1	833247146	YTBSYVCFYJGMGX-ZIAGYGMSSA-N	320.414	1.734	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(OC)c1	831063269	WDKLQAFHCBWVIM-MWLCHTKSSA-N	323.349	1.282	50	20	DDGD	
O=C(N[C@@H]1CC[C@H](Cc2ccccc2)C1)c1ccc(B(O)O)cc1	584979150	MCMJATKUTSODFD-CRAIPNDOSA-N	323.201	1.508	50	20	DDGD	
CCOC(=O)[C@H](C)[C@H](C)NC(=O)[C@@]1(C)C[C@H]1Br	907347432	GAIFFHGSRTZLLC-SREGZZRCSA-N	306.200	1.864	50	20	DDGD	
Cc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2CCCCO2)cc1	833262009	SNZDQKSLUKIZBG-OCCSQVGLSA-N	306.362	1.479	50	20	DDGD	
Cc1cnccc1C=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1	834935284	QWFUOOQBDCMRCB-ILXRZTDVSA-N	318.421	1.585	50	20	DDGD	
CCC[C@@H](CC1CCCC1)C(=O)NNC(=O)CN1CCCC1=O	913730882	MKVWFGBHOABMHU-AWEZNQCLSA-N	323.437	1.753	50	20	DDGD	
CO[C@H]1C[C@@H](NC(=O)NNc2ncc(F)cc2F)C12CCC2	838765224	KUFNEVBHXWNHBR-MNOVXSKESA-N	312.320	1.944	50	20	DDGD	
O=S(=O)(CCl)N1CC[C@](CO)(Cc2ccc(F)cc2)C1	831557108	QMGRHTROXDXDAR-ZDUSSCGKSA-N	321.801	1.579	50	20	DDGD	
NC(=O)c1ccc(C=NNC(=O)CCOc2ccccc2)cc1	747050684	BOIIOHUIUBJGEN-UHFFFAOYSA-N	311.341	1.705	50	20	DDGD	
C[C@]1(NS(=O)(=O)c2ccc(CCl)cc2)CCOC1=O	915754061	ZOAWMJRTVGQTKN-LBPRGKRZSA-N	303.767	1.409	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCC(=O)N2CCC2)cc1	746939868	WGMPXBLWFJPPLG-UVTDQMKNSA-N	314.341	1.768	50	20	DDGD	
COc1ccc([C@H](C)C(C)=NNC(=O)C(=O)NC2CC2)cc1	747629606	JLZCFHQPRFMWOX-SNVBAGLBSA-N	303.362	1.569	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCC2(C#N)CCC2)cc1F	842199247	GXDPTPUFLCSNLN-UHFFFAOYSA-N	320.324	1.932	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H](C)c1ccc(Br)s1	910164358	VHUYJRYAFZLPBG-YUMQZZPRSA-N	321.240	1.958	50	20	DDGD	
O=C(NN=Cc1ccc2c(c1)OCCCCO2)c1ncccn1	841665663	PJLLRPCCRLAKEK-UHFFFAOYSA-N	312.329	1.792	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(C)C[C@H]1Cc1ccccc1	846512666	XKTOVNRAVTZEKC-YHKKIHSWSA-N	313.401	1.816	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1ccccc1OCC(=O)O	842555428	OEZCAGGNQIXAQB-JQWIXIFHSA-N	306.318	1.025	50	20	DDGD	
C[C@@H]1CN(CCNC(=O)NNc2ccc(Cl)nc2)CCO1	745791302	IYJSGIAYMOMZBK-SNVBAGLBSA-N	313.789	1.082	50	20	DDGD	
COCC[C@H](C)CNC(=O)NNC(=O)c1cccc(Cl)c1	840399737	QVPMCPHQSSCWJI-JTQLQIEISA-N	313.785	1.957	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)C(=O)NC(C)C)cc1OC	744812253	IYMLTDBTRDEAQL-UHFFFAOYSA-N	307.350	1.069	50	20	DDGD	
NC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)Cc1ccccc1F	841947718	HEENVGYKCZAOLW-GXTWGEPZSA-N	322.384	1.216	50	20	DDGD	
NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	848189743	PSGOUJSNQOTPSD-YUMQZZPRSA-N	312.713	1.203	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2C[C@H](C)[C@@H](C)[C@@H]2C)cc1	842167153	RJNGTQKIDZVMNB-MJBXVCDLSA-N	303.406	1.732	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@H](C)c1ccco1	741660462	POSHANAHUGZRGS-LLVKDONJSA-N	318.329	1.618	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1	920821865	OCNSKMNKRBGDBC-GFCCVEGCSA-N	324.425	1.298	50	20	DDGD	
Cc1c(NNC(=O)NC[C@H]2CCCNC2)cccc1[N+](=O)[O-]	841923566	LCFBOYKUTPDBRA-NSHDSACASA-N	307.354	1.529	50	20	DDGD	
Cc1cc(C)c2c(c1)C(=NNC(=O)[C@@H]1CCO[C@H]1C)C(=O)N2	842552943	CQGLETIQPOKCFW-WDEREUQCSA-N	301.346	1.501	50	20	DDGD	
C[C@]1(C(=O)NNc2ncc(Br)cn2)CCOC1	848321997	NKJLAUCOAYDEPD-JTQLQIEISA-N	301.144	1.109	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1ccc(OCC)c(C)c1	921021546	TXAPFJDQWVATKN-UHFFFAOYSA-N	315.395	1.296	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)Nc1cc(F)cc(F)c1)C(=O)O	848583309	BAFOFAXMXRECEA-ZCFIWIBFSA-N	316.264	1.021	50	20	DDGD	
COc1ncc(C(=O)NNc2ccc(C#N)c(Cl)c2)cn1	753306442	NBINQUBMZOPEOY-UHFFFAOYSA-N	303.709	1.767	50	20	DDGD	
CCNC(=O)NNC(=O)CCC(=O)c1ccc(OC)c(F)c1	751362042	IOLRAEVQKQFUOU-UHFFFAOYSA-N	311.313	1.148	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cc(-c2ccccn2)no1	751064585	WOEZUFHGKXVNHC-UHFFFAOYSA-N	314.223	1.450	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC12CCC2)c1cc(Br)c[nH]1	759692502	COHJMPBPBLEEPN-QMMMGPOBSA-N	312.167	1.728	50	20	DDGD	
CC(=O)N[C@@](C)(C(=O)NNC(=O)c1ccccc1F)C(C)C	929231330	FELNFTICBNWLJK-OAHLLOKOSA-N	309.341	1.138	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@H]1CCc2cccnc21)C1CC1	855097615	USVXCCFUHWODCX-SKDRFNHKSA-N	304.419	1.405	50	20	DDGD	
O=C(NCC(F)(F)F)NN=Cc1cn(-c2ccccc2)nn1	755663050	WOVGLKRSRXPBFS-UHFFFAOYSA-N	312.255	1.463	50	20	DDGD	
Cc1noc(C)c1NC(=O)NNC(=O)Cc1ccccc1F	756286981	NRKQEDNILIXQSW-UHFFFAOYSA-N	306.297	1.826	50	20	DDGD	
CC[C@H](C)CCNC(=O)NNc1ccc(-n2ccnc2)nn1	852491696	YLRHFDZASWKFLL-NSHDSACASA-N	303.370	1.725	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(C)n(-c2cnn(C)c2)c1C	854163411	UOAMXRLWCNZICP-UHFFFAOYSA-N	305.338	1.219	50	20	DDGD	
C[C@H]1CCCN1C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	852590438	NPMMTJFSOXBEKN-NSHDSACASA-N	312.414	1.154	50	20	DDGD	
O=C(NNc1cc(F)ccc1Br)[C@H](O)C1CC1	854939995	BTZVNKDMEHEQFS-SNVBAGLBSA-N	303.131	1.802	50	20	DDGD	
O=C(NNC(=O)c1cc[nH]n1)c1ccc(CN2CCCC2)cc1	855356279	KAEVXKIMVCKHJO-UHFFFAOYSA-N	313.361	1.080	50	20	DDGD	
Cc1cnn(CCC(=O)NC[C@]2(C)C[C@@H]2Br)c1	857399554	RTNCDPYTHVQYBG-JQWIXIFHSA-N	300.200	1.871	50	20	DDGD	
Cc1nn2cccnc2c1C(=O)NC[C@]1(C)C[C@H]1Br	857399833	GLWASZOIBJBXNV-RNCFNFMXSA-N	323.194	1.941	50	20	DDGD	
CCCN1CC[C@H](NC(=O)NC[C@@]2(C)C[C@H]2Br)C1	856870424	QHWYDHSHFBFMDJ-DMDPSCGWSA-N	318.259	1.943	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C1(OC)CCCC1	754173259	BZBICFASVNBSTF-UHFFFAOYSA-N	321.377	1.214	50	20	DDGD	
C[C@H]1C[C@@H](CCNC(=O)NNc2ncc(Cl)cn2)CCO1	856885333	WMTDGTDTUFMMJE-UWVGGRQHSA-N	313.789	1.961	50	20	DDGD	
C[C@]1(CNC(=S)NC[C@@H]2CCOC2)C[C@@H]1Br	857203816	CSMDEVKUXQHOSR-ATZCPNFKSA-N	307.257	1.661	50	20	DDGD	
O=C(NN=CCCCCOc1ccccc1)C(=O)NC1CC1	753956979	YZTDEMKGVTVTJS-UHFFFAOYSA-N	303.362	1.616	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1cnc(C)n1-c1ccccc1	755729904	FKABCKVUXIONCX-UHFFFAOYSA-N	308.345	1.976	50	20	DDGD	
C[C@@H]1CCCc2ncc(C(=O)NNc3ncc(Cl)cn3)n21	857359216	UUIMTUQKBBBLQR-MRVPVSSYSA-N	306.757	1.981	50	20	DDGD	
CC(=O)N[C@](C)(C(=O)NNc1ncnc2ccsc12)C(C)C	934897708	PNLUAPKKZATVGE-AWEZNQCLSA-N	321.406	1.685	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1cc(-c2ccccn2)no1	751067502	MGERWDVKEMWDKO-UHFFFAOYSA-N	322.288	1.160	50	20	DDGD	
CC(C)(C)n1cc(NC(=O)NNC(=O)c2ccccn2)cn1	756796453	PNZJCZBROQPURI-UHFFFAOYSA-N	302.338	1.500	50	20	DDGD	
Cn1ncc(Cl)c1C(=O)NC[C@]1(C)C[C@@H]1Br	857408377	VOWVIXJOULEWBT-XVKPBYJWSA-N	306.591	1.977	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNC(=O)c1cccc(C#N)c1	759072602	VOFURNOINRAVIU-UHFFFAOYSA-N	309.329	1.294	50	20	DDGD	
CCNC(=O)C1(CNC(=O)NNc2ccc(F)cn2)CCC1	753296494	YXMSQCCNTJNKEQ-UHFFFAOYSA-N	309.345	1.153	50	20	DDGD	
Cc1ccc(-c2nc(C(=O)NNC(=O)NC3CC3)cs2)n1C	758718012	LFTXRKGBGXYWGO-UHFFFAOYSA-N	319.390	1.563	50	20	DDGD	
COc1ccc([C@@H](C)CC(=O)NNc2nnc(C)c(O)n2)cc1	750233899	VVPWPBVUQZKYCD-VIFPVBQESA-N	317.349	1.531	50	20	DDGD	
CCc1ccc2c(c1)CCN2CC(=O)NNC(=O)C(C)(C)C	934900499	JYUGHYPYHZDBAK-UHFFFAOYSA-N	303.406	1.805	50	20	DDGD	
COCCOc1cccc(C(=O)NNc2nccnc2OC)c1	764462889	CFMVLCRDRUJYTR-UHFFFAOYSA-N	318.333	1.267	50	20	DDGD	
Cc1noc(C2CC2)c1NC(=O)NNC(=O)CC(F)(F)F	767896473	VPODXPOCWKYTII-UHFFFAOYSA-N	306.244	1.966	50	20	DDGD	
O=C1N[C@@H](C(=O)NNc2cc(C(F)(F)F)ccc2F)CCO1	860392654	FKCSJCPMSYMQNI-MRVPVSSYSA-N	321.230	1.786	50	20	DDGD	
CCN1CCN(C(=O)[C@H](Br)C(C)(C)C)CC1=O	768452168	WWJHXIYLAVATAK-JTQLQIEISA-N	305.216	1.487	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H]2CC(=O)NNc1cnccn1	760567541	NZMXVLUMUDAVJH-JTQLQIEISA-N	300.318	1.495	50	20	DDGD	
CN(CC(=O)NNCC(F)(F)C(F)(F)F)[C@H]1CCSC1	863097367	IQMBCNAIVWPQPA-ZETCQYMHSA-N	321.315	1.242	50	20	DDGD	
COc1ccc(C(=O)NN=c2cc[nH]c(C)c2)c(OC)c1OC	862508247	MATOJYLGCSLPNM-UHFFFAOYSA-N	317.345	1.595	50	20	DDGD	
COC(C)(C)CN(C)CC(=O)NNC(=O)Cc1ccccc1C	766943313	YIJKAJZLBFBCJK-UHFFFAOYSA-N	321.421	1.042	50	20	DDGD	
O=C(/C=C\CN1CCOCC1)NNc1cc(F)cc(Cl)c1	869256869	SFHCDWYASDSCLH-UPHRSURJSA-N	313.760	1.811	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNc1ccc(OC(F)F)cc1	935025852	ZNJAUVDYCBJZTG-GHMZBOCLSA-N	314.288	1.930	50	20	DDGD	
CCOc1ccc(NCc2ccc(B(O)O)cc2)c2ncccc12	864033808	ICECTRNSMUHHIQ-UHFFFAOYSA-N	322.173	1.925	50	20	DDGD	
CCn1c(NNC(=O)C2=CCOCC2)nc2ccccc2c1=O	769679520	MJPXECAGMMGSQH-UHFFFAOYSA-N	314.345	1.206	50	20	DDGD	
COc1ccc(C(=O)NN[C@@H](C)C(F)(F)F)cc1OCCO	862320876	WPTAXRUXCXZJQJ-QMMMGPOBSA-N	322.283	1.252	50	20	DDGD	
CCOC(=O)c1cc(C(=O)NN=c2cc[nH]c(C)c2)[nH]c1C	862513255	CQRIDUCEQNUDSR-UHFFFAOYSA-N	302.334	1.382	50	20	DDGD	
N#Cc1ccc(NNC(=O)CCCOC2CCOCC2)cc1	866869152	SIGZZKSXTVYNQJ-UHFFFAOYSA-N	303.362	1.977	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN[C@H](C)C(F)(F)F)n1	862304783	STUHNKGNDBPTER-MRVPVSSYSA-N	308.329	1.757	50	20	DDGD	
COc1ccc(NNC(=O)Cc2cccnc2)c([N+](=O)[O-])c1	768328015	NRVNYNUSOPILTK-UHFFFAOYSA-N	302.290	1.684	50	20	DDGD	
CC[C@](NS(=O)(=O)CC(C)(C)CCl)(C(N)=O)C(C)C	867081262	KTUMWNKVOBRDGL-GFCCVEGCSA-N	312.863	1.461	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2Cc3ccccc3S2)n[nH]1	765587501	LQDGFRBBGNBKCG-LBPRGKRZSA-N	302.359	1.196	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1	765132774	SZVLOHSHUGGSIA-UHFFFAOYSA-N	311.301	1.918	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NNC(=O)C2CCC2)c(OC)c1	861337914	QPDFUAOKXMWOAU-UHFFFAOYSA-N	320.349	1.008	50	20	DDGD	
CC(C)CNC(=S)NNC(=O)c1cc(-c2cccs2)[nH]n1	764498596	WUMYZTGFWATEPA-UHFFFAOYSA-N	323.447	1.903	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(OC)c(O)c(OC)c1	762585186	VQBHXDXSXZYSJF-UHFFFAOYSA-N	311.338	1.154	50	20	DDGD	
CCn1nc(C=NNC(=O)Cc2cc(C)[nH]n2)c2ccccc21	769774387	KNFXYURDDXFZKM-UHFFFAOYSA-N	310.361	1.781	50	20	DDGD	
CC(C)c1cccc2c1OCCC2=NNC(=O)CS(C)(=O)=O	863187997	WQLRXZVAGMDTJA-UHFFFAOYSA-N	324.402	1.457	50	20	DDGD	
CC1(C)CCC(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)CC1	764676831	UIHUQDLLGSREHY-GFCCVEGCSA-N	300.424	1.740	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1ccc(-n2ccnc2)cc1	872402452	IFAHXHUIGVGZNW-UHFFFAOYSA-N	316.361	1.376	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C23CCCN2CCC3)c1C	1118727171	LBJMVWKJJJXONS-UHFFFAOYSA-N	317.389	1.853	50	20	DDGD	
CC(C)(NS(C)(=O)=O)C(=O)NNc1cc(Cl)ccc1F	871271965	GOFYHZNTFXNRKT-UHFFFAOYSA-N	323.777	1.250	50	20	DDGD	
COCCN(C)NC(=O)Nc1nnc(CC(F)(F)F)s1	878961991	DWDAGBLUZIJPFS-UHFFFAOYSA-N	313.305	1.258	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C2(F)CCOCC2)c1	873776934	OTBRFXJUNDBKSP-UHFFFAOYSA-N	311.382	1.831	50	20	DDGD	
CC[C@H](C)Oc1cc(C(=O)NNC(=O)c2c[nH]nc2C)ccn1	777387387	CTZOIEJERBTMSN-VIFPVBQESA-N	317.349	1.365	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H]2CCCN2C=O)c1	873756139	FGWJUOQNNOJNQX-CYBMUJFWSA-N	320.418	1.242	50	20	DDGD	
N#Cc1cnc(C(=O)NNC(=O)c2ccccn2)c(Cl)c1	771827684	UVHIWXNORHHKEF-UHFFFAOYSA-N	301.693	1.076	50	20	DDGD	
CC(=NNC(=O)CO)c1ccc(I)cc1	776779441	BQOXELGKIKMOKC-UHFFFAOYSA-N	318.114	1.124	50	20	DDGD	
Cc1cn(-c2ccccc2)nc1C(=O)NNc1nccn(C)c1=O	771738333	ZHUQDYRUFZITLH-UHFFFAOYSA-N	324.344	1.031	50	20	DDGD	
O=C(NCCc1cnccn1)NNc1cc(F)c(F)cc1F	775454330	IKFKOKGFDRNJHI-UHFFFAOYSA-N	311.267	1.763	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)co1	776323394	OHDRYJAIPRCUFL-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2[C@H]3CCC[C@H]32)cc1	776697610	NXIMVXWRODSNRM-NHAGDIPZSA-N	316.357	1.345	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=Cc2cnsc2)C[C@@H](C)O1	872336843	NKFUPBWDOCAHDC-SDDRHHMPSA-N	310.423	1.339	50	20	DDGD	
CCCCO[C@H]1C[C@@H](NC(=O)NN(C)C(=O)OC)C1(C)C	875344486	JCIQOFRJFDJWTP-MNOVXSKESA-N	301.387	1.883	50	20	DDGD	
CN(C[C@H]1C[C@@H](O)C1)C(=O)NC[C@]1(C)C[C@@H]1Br	875757327	DKMYDNBFCRJSKR-WYFGTUCQSA-N	305.216	1.572	50	20	DDGD	
O=C(NNC(=O)N1CC=CCC1)c1cccc(OC(F)F)c1	778650678	NBXGEOBSJNEUPM-UHFFFAOYSA-N	311.288	1.904	50	20	DDGD	
O=C(NN=Cc1cccc2nccn12)[C@@H]1COc2ccccc2O1	771089467	RJXWZWKKTPZNND-HNNXBMFYSA-N	322.324	1.624	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn(CC(C)C)c2)cc1O	882050349	VBVYHOVGXKGTBF-UHFFFAOYSA-N	316.361	1.628	50	20	DDGD	
O=C(NNC(=O)[C@@H]1Cc2ccccc2S1)C1CCOCC1	883060639	RZPYBRFSVHHUGU-ZDUSSCGKSA-N	306.387	1.277	50	20	DDGD	
C[C@@]1(CC(=O)NNC(=O)C2CCOCC2)CC1(Cl)Cl	883071088	ODQUOTWUDNYOHQ-LLVKDONJSA-N	309.193	1.534	50	20	DDGD	
O=C(CCc1ccccc1Cl)NNC(=O)C1CCOCC1	883060479	NFUYXYSDQUPLRR-UHFFFAOYSA-N	310.781	1.847	50	20	DDGD	
COc1ccc([C@H](C)NC(=O)NNC(=O)C2CCOCC2)cc1	883231735	QPPBIOQNFSLHHK-NSHDSACASA-N	321.377	1.513	50	20	DDGD	
C[C@H](CBr)COC(=O)C[C@H]1C=CS(=O)(=O)C1	770331614	AHNAAQOUXVZZBH-RKDXNWHRSA-N	311.197	1.509	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2nccs2)cc1	770133411	FYTRMEACOMVWOO-UHFFFAOYSA-N	306.347	1.025	50	20	DDGD	
CC[C@H]1[C@H](C)CCN1CC(=O)NNC(=O)c1cccc(C#N)c1	775782374	FUPLIUCWCSQQNQ-DOMZBBRYSA-N	314.389	1.440	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CC[C@@H]2CC[C@@H](C)O2)cc1O	882048542	BOIHDZBHJQUFIF-YPMHNXCESA-N	306.362	1.809	50	20	DDGD	
CC[C@@H](Oc1ccccc1C)C(=O)NNC(=O)C1CCOCC1	883065670	ROEHSQDEMQKLLS-CQSZACIVSA-N	320.389	1.726	50	20	DDGD	
Cn1cc(N2CCC[C@@H](OC(=O)/C(C#N)=C\C3CC3)C2=O)cn1	786678657	SSNLOQNHTCXVEZ-YRBHFNIASA-N	314.345	1.319	50	20	DDGD	
C=CCNc1ncc(C(=O)NNc2ccc(OC)cn2)s1	782046137	MUGKGIZCKKVYJQ-UHFFFAOYSA-N	305.363	1.902	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@H](F)C(C)C	784306455	BGUVTTVFBLNDOY-OAHLLOKOSA-N	324.352	1.222	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@@H]1CC(=O)c2ccccc21	789901760	WVYSIDWIUAQMCZ-SECBINFHSA-N	300.236	1.456	50	20	DDGD	
CC[C@H](O)[C@@H](C)C(=O)NNC(=O)c1ccc2ccccc2n1	899903886	BHQAOPCKYVFQFA-YGRLFVJLSA-N	301.346	1.403	50	20	DDGD	
O=C(NN=CC[C@H]1CCCCC12OCCO2)N1CCOCC1	788713445	ZDCMVPAQDKXAEW-CYBMUJFWSA-N	311.382	1.337	50	20	DDGD	
Cc1cc(C)n(CCCC(=O)NNc2ccc(Cl)nn2)n1	895106887	JDEZGEGAHKXSMW-UHFFFAOYSA-N	308.773	1.867	50	20	DDGD	
Cc1ccc(F)cc1C(=O)C(=O)NNC(=O)Cc1ccncc1	781703745	HYURQQTWLFODLE-UHFFFAOYSA-N	315.304	1.102	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H](C(C)C)C2)cc1O	899944694	UCGZNJRSAOBAKR-DZGCQCFKSA-N	320.389	1.913	50	20	DDGD	
COc1ccc(NNC(=O)Nc2cc(C(N)=O)ccc2F)nc1	782021850	QIBMZFYQCNYFAR-UHFFFAOYSA-N	319.296	1.477	50	20	DDGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)[C@@H]1CN(C)CCO1	787455539	UFSZWDCNAGUKRL-BMKJPTANSA-N	315.373	1.134	50	20	DDGD	
CN1CCC[C@H]1c1cc(C(=O)NNC(=O)CC(C)(C)C)n[nH]1	896148709	HBDZNDPDZOJRRB-LBPRGKRZSA-N	307.398	1.374	50	20	DDGD	
Cn1cc(-c2n[nH]cc2C(=O)NNc2ncncc2Cl)cn1	781834347	WOHLCRYQZOYTMJ-UHFFFAOYSA-N	318.728	1.011	50	20	DDGD	
C=C(CBr)COC(=O)C1(S(C)(=O)=O)CCC1	796185526	JDBZOAGGDXRKJS-UHFFFAOYSA-N	311.197	1.448	50	20	DDGD	
Cc1ccnc2ccc(C(=O)NNC(=O)Cc3cc[nH]n3)cc12	796211016	XBJFWEUDQJLVTJ-UHFFFAOYSA-N	309.329	1.270	50	20	DDGD	
O=C(NN=C1CC(=O)N2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1	799463905	LWLCVQJMVKTUPO-ZDUSSCGKSA-N	316.317	1.465	50	20	DDGD	
N#C/C(=C\c1cnc(N2CCCC2)nc1)S(=O)(=O)NC1CC1	794942745	FEJUTGSDBIHCLM-NTUHNPAUSA-N	319.390	1.023	50	20	DDGD	
C[C@@H]1COC(=O)C1=NNC(=O)Nc1ccc(OC(F)F)cc1	794911336	BYKRTQRAUKYRML-SSDOTTSWSA-N	313.260	1.958	50	20	DDGD	
CCn1ncc2cc(C(=O)NNC(=O)C3CCCC3)c(C)nc21	799307402	JCXPHAVGUDFCPE-UHFFFAOYSA-N	315.377	1.711	50	20	DDGD	
Cc1noc(C)c1C(C)(C)C(=O)NNC(=O)CC(F)(F)F	798108298	PAZWEYDBOYVTLE-UHFFFAOYSA-N	307.272	1.669	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)Nc1cncc(F)c1	799234487	UMRXIEJKTDKLGY-UHFFFAOYSA-N	322.271	1.592	50	20	DDGD	
COCc1nc(C)c(C(=O)NNC(=O)c2cccc(C)n2)s1	794083434	IQIGOOLZRFKJTC-UHFFFAOYSA-N	320.374	1.376	50	20	DDGD	
CN(C)Cc1cnc(/C=C(\C#N)C(=O)Nc2ccn(C)n2)s1	794702401	OEMLSBPMLRRQKO-UXBLZVDNSA-N	316.390	1.484	50	20	DDGD	
Cc1ccc(NCC(=O)NN=C2CCCc3nn(C)cc32)cc1	794465631	VOYRXZCPAPCVFZ-UHFFFAOYSA-N	311.389	1.997	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)c1ccncc1	792760498	BBSAWSYBHXUQEN-AZSZRZGFSA-N	309.369	1.237	50	20	DDGD	
N#C/C(=C\c1ccccc1)C(=O)OC[C@@H]1CCCS(=O)(=O)C1	792184746	VIMFRZDOXAVNHH-AHSSXEFNSA-N	319.382	1.962	50	20	DDGD	
O=C(NNC(=S)Nc1cccc(F)c1F)N1CCOCC1	1319546172	AUVRTJPVDLQIFL-UHFFFAOYSA-N	316.333	1.208	50	20	DDGD	
CCN1CCN(c2ccc(CNC(=O)CCl)cc2F)CC1	1319786020	STHZHFKJIRXHSJ-UHFFFAOYSA-N	313.804	1.823	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNC(=O)c1ccc(OC)cc1	1321060718	QIFVDGNEHCJNFR-UHFFFAOYSA-N	314.345	1.431	50	20	DDGD	
CNc1ccc([N+](=O)[O-])cc1C(=O)NNc1nccnc1OC	1320241521	DCSWZOQNRGQJLS-UHFFFAOYSA-N	318.293	1.192	50	20	DDGD	
CC(=NNC(=O)C[N+](C)(C)C)c1ccc(OC(F)F)cc1	1248410440	GNRMOUVGUCICIP-UHFFFAOYSA-O	300.329	1.834	50	20	DDGD	
O=C(NC[C@H]1CCOC1)NNc1cccc(Br)n1	1326754867	HFIMCPFSLPCEFS-MRVPVSSYSA-N	315.171	1.507	50	20	DDGD	
C[C@]1(CNC(=O)Cn2cc(C3CC3)nn2)C[C@H]1Br	1328645911	XWXTZWFNDNXUPX-ZYHUDNBSSA-N	313.199	1.445	50	20	DDGD	
CCS[C@H](C(=O)NNC(=O)c1n[nH]c2c1CCCC2)C(C)C	1321458695	UJKHFJVNTQDXQQ-ZDUSSCGKSA-N	324.450	1.827	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2c(C)ccnc2O)cc1	1323565362	CUHWOZQPTHDNIH-UHFFFAOYSA-N	315.329	1.244	50	20	DDGD	
CO[C@@H]1CCN(c2nnnn2C[C@@]2(C)C[C@H]2Br)C1	1335977433	QUIJIQMNMQKELW-FXPVBKGRSA-N	316.203	1.072	50	20	DDGD	
CN1CCC[C@@H]1c1cc(C(=O)NN=c2cc[nH]cc2Cl)n[nH]1	1339408992	LPASEOYGHBQRDF-CYBMUJFWSA-N	320.784	1.404	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ncoc1[C@@H]1CCCO1	1251886494	WLCFDNNENFQCDE-LURJTMIESA-N	307.228	1.240	50	20	DDGD	
Nc1cnnc(NNC(=O)c2csc3cncn23)c1Cl	1253124124	PSQPNPFTYQIAMY-UHFFFAOYSA-N	309.742	1.178	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H](C)Cc1ccc(C(C)C)cc1	1336699683	QOUJLNFPHVZSBQ-NSHDSACASA-N	321.377	1.244	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ncoc2[C@@H]2CCCO2)n1	1339801793	BYMASQPLFHTLKB-VIFPVBQESA-N	319.321	1.390	50	20	DDGD	
CC[C@@H]1c2ccccc2CN1C(=O)NNC(=O)c1ncccn1	1263113730	ROWIMRFVFNEMHD-CYBMUJFWSA-N	311.345	1.798	50	20	DDGD	
C[C@H](C(=O)N(C)NC(=O)OCc1ccccc1)n1ccnc1	1348383316	ITEMSNQEJWILTL-GFCCVEGCSA-N	302.334	1.744	50	20	DDGD	
Cc1c(CC(=O)OC[C@@]2(C)C[C@H]2Br)cnn1C	1263537781	XUPGCIFECGHWPO-ZYHUDNBSSA-N	301.184	1.988	50	20	DDGD	
CC(C)CN(C)C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1347966486	HFRLLVLKZVNFBH-BXKDBHETSA-N	305.216	1.391	50	20	DDGD	
Nc1cnnc(NNC(=O)Cc2n[nH]c3ccccc23)c1Cl	1342424903	CMKVMAXCZRWPFL-UHFFFAOYSA-N	317.740	1.274	50	20	DDGD	
C=CCN(C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br)C1CC1	1351192950	SZHDVKQYPATRKA-GWCFXTLKSA-N	315.211	1.453	50	20	DDGD	
O=C(O)C(=O)NN=C1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]12	1601638061	PLNZHMDCZQRXFG-UKRRQHHQSA-N	315.373	1.618	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)cc1C(=O)O	1600461873	ZWYWQRFLZXERTO-ZJUUUORDSA-N	305.334	1.038	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)O)CC2(CCC2)C1)NC1CCCC1	1608477403	IRJSFMQQMQRPMQ-UHFFFAOYSA-N	309.366	1.295	50	20	DDGD	
O=C(NNc1ccc(F)cn1)c1cccc(F)c1-c1nn[nH]n1	1606860912	FHWLGJYTQLGSJL-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
CCN(CC)C(=O)/C(C#N)=C/c1cc(-c2nn[nH]n2)n(C)c1C	1604276381	BKPXKFPHXGIANJ-KPKJPENVSA-N	313.365	1.289	50	20	DDGD	
N#CCC1(CNC(=O)NNc2ccc(CC(=O)O)cc2)CC1	1601062047	LPAKNFGMIUNJOC-UHFFFAOYSA-N	302.334	1.634	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNc1ccc(C(=O)O)c(F)c1	1604619954	HIXQPJMEKOYKQU-DTWKUNHWSA-N	308.309	1.972	50	20	DDGD	
O=C(O)c1ccc(Cl)cc1C=NNC(=O)C1CCOCC1	1608893111	BSLMUZSJSYQSKY-UHFFFAOYSA-N	310.737	1.915	50	20	DDGD	
Cc1c(NNC(=O)N[C@]2(C)CCOC2=O)cccc1C(=O)O	1607553611	XBJWXPAYGDTTAE-CQSZACIVSA-N	307.306	1.025	50	20	DDGD	
N#Cc1ccc(CC(=O)NNc2ccc(CC(=O)O)cc2)cc1	1601097807	DUIHYTIZZKUZOT-UHFFFAOYSA-N	309.325	1.871	50	20	DDGD	
Cc1noc(CCNC(=O)NNc2ccc(C(=O)O)c(F)c2)n1	1600812457	GPNZQXZGEHOMSZ-UHFFFAOYSA-N	323.284	1.084	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@H](C(=O)NNc2ccc(F)c(C(=O)O)c2)C1	1601145424	PSDDAAURVODQPX-BDAKNGLRSA-N	323.324	1.259	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)O)O1	1600535019	CWIROISDGRPINA-HLUHBDAQSA-N	312.753	1.970	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@H]2CCCN2C2CC2)c1F	1610848314	CUULQKLEBPHDAM-LBPRGKRZSA-N	307.325	1.594	50	20	DDGD	
N[C@@H](CCC(=O)NNC(=O)NC1CCCCC1)C(F)(F)F	1574284897	ZKCOSLLZOPEODE-VIFPVBQESA-N	310.320	1.319	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)NC[C@H]1CCC2(CNC2)O1	1579604334	IISGVTOMVQWNLP-GFCCVEGCSA-N	324.812	1.796	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)c(F)c1	1574090587	BMSVMROLAZRJHJ-DTWKUNHWSA-N	324.308	1.556	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@@H]1CCCCC12CCNCC2	1579974693	RRMKDSPWIPAXDU-ZDUSSCGKSA-N	318.421	1.346	50	20	DDGD	
C[C@H](N)c1nc(C(=O)NNC(=O)c2ccccc2F)cs1	1576175063	CJKVDHICNBOBPP-ZETCQYMHSA-N	308.338	1.377	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(N)cn1	1576286188	LLLBTPXCQLPHAM-VIFPVBQESA-N	318.308	1.031	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CCCCCN)c1ccc(F)cc1F	1575068747	FRJPFVBUURXYCC-SNVBAGLBSA-N	313.348	1.735	50	20	DDGD	
CC(C)SCCNC(=O)NNc1cccc(-c2nn[nH]n2)c1	1589761341	JYOHMKOYCWMAEI-UHFFFAOYSA-N	321.410	1.634	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(=O)CC	1847868788	GMKOUWWKSXZFKH-WOPDTQHZSA-N	314.813	1.575	50	20	DDGD	
C/C(=C\c1ccccn1)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1588773341	XEOALJYOTMRBSF-ZHACJKMWSA-N	321.344	1.808	50	20	DDGD	
C=CCSCC(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1841883882	WOLWEBNZBFAITF-NSHDSACASA-N	320.817	1.643	50	20	DDGD	
CCO/C=C/C(=O)N1CCCC12CN(C(=O)C(Cl)Cl)C2	1846502797	USWVZXSSRACUTP-QPJJXVBHSA-N	321.204	1.544	50	20	DDGD	
COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)C(C)(C)F)C1	1842850555	WRYRQMAAOVBEPN-JTQLQIEISA-N	320.792	1.192	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCC[C@@H](CCC(=O)O)C2)cn1	1594538763	QXOPGJIPBMHDQE-FUEWVNAISA-N	316.361	1.430	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@]1(C(=O)O)CC1(C)C	1594417801	CJLBXQUWVLBEAK-OAHLLOKOSA-N	305.334	1.649	50	20	DDGD	
CC1(C)CC(CNC(=O)NNc2ccc(-c3nn[nH]n3)cn2)C1	1590081715	HQFALNQRHFYADG-UHFFFAOYSA-N	316.369	1.324	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)ccc1OS(=O)(=O)CCCCl	1591869781	KQDMQRQQUHNDRW-UHFFFAOYSA-N	316.770	1.513	50	20	DDGD	
COC(=O)/C(C#N)=C/c1ccc(N2CCC(C(=O)O)CC2)o1	1593804404	MWRVTNKOSRBMSV-DHZHZOJOSA-N	304.302	1.661	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H](C)C(=O)O)c1C	1593898362	SNCTXWFYYKETCK-QMMMGPOBSA-N	309.322	1.128	50	20	DDGD	
CCC1(CNC(=O)NNc2cccc(C(=O)O)c2C)COC1	1595378943	QQSNBEANMOZZFI-UHFFFAOYSA-N	307.350	1.746	50	20	DDGD	
C[C@]1(COC(=O)Cn2ccc(C(=O)O)n2)C[C@H]1Br	1594036532	IBGZUHLXDCYPEA-LDYMZIIASA-N	317.139	1.298	50	20	DDGD	
C[C@@H]1CN(C(=O)/C(C#N)=C/c2ccc(O)cc2)C[C@H]1C(=O)O	1599851782	OQQNGRUYPBZEIS-LIPUJVHBSA-N	300.314	1.478	50	20	DDGD	
CC(C)CN1CCC(C(=O)NNc2ccc(C(=O)O)cn2)CC1	1591356218	FHAZVSJRLRJAJH-UHFFFAOYSA-N	320.393	1.591	50	20	DDGD	
CC[C@@H]1C[C@H](CC(=O)NNc2ccc(C(=O)O)cn2)CCO1	1595413512	NSULNMKDILOGOV-ZYHUDNBSSA-N	307.350	1.818	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2ncccc2C(=O)O)c(F)c1	1594617728	JKFYEAZHVDSYHD-UHFFFAOYSA-N	300.249	1.547	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C23CC(C(=O)O)(C2)C3)c(F)c1	1598984387	MVOMMNNNLOUFMJ-UHFFFAOYSA-N	322.292	1.310	50	20	DDGD	
C[C@@H]1CCNC[C@@H]1NC(=O)NNc1cccc(C(=O)O)c1F	1594437222	ADHZCUTVUFXELB-KCJUWKMLSA-N	310.329	1.148	50	20	DDGD	
COc1nccc(C(=O)NNc2ccc(F)c(C(=O)O)c2)n1	1599735309	UIAKQBAJVBZEEI-UHFFFAOYSA-N	306.253	1.079	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C[C@H](C)CC(=O)O)cc1	1598871992	NNEYABXLQBQXFI-JTQLQIEISA-N	308.334	1.346	50	20	DDGD	
O=C(O)CCc1ccc(C=NNC(=O)c2ccc(O)nc2)o1	1776094768	KTHCXFQPXTUGJQ-UHFFFAOYSA-N	303.274	1.161	50	20	DDGD	
CCn1c(NNC(=O)c2cccnc2)nc2ccccc2c1=O	11156339	XBQYFXXDGZSBII-UHFFFAOYSA-N	309.329	1.568	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccncc2)c2c(C)noc2n1	14203319	DPHGWCMWXXLNBX-UHFFFAOYSA-N	311.301	1.309	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(/C=C(\C#N)C(=O)NC2CC2)c1C	8220826	ZYUSILCEUNALHX-YRNVUSSQSA-N	301.346	1.994	50	20	DDGD	
N#Cc1cccc(NNC(=O)Cn2c(=O)cnc3ccccc32)c1	152713444	OZDKNKRYEZNVQV-UHFFFAOYSA-N	319.324	1.411	50	20	DDGD	
N#Cc1ccc(NNC(=O)C#Cc2ccc3c(c2)OCO3)cc1	155639867	CTXVIRAYCTWESO-UHFFFAOYSA-N	305.293	1.782	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C1=CCCCC1	154373365	LYRKWYUKZHAXMS-UHFFFAOYSA-N	304.346	1.722	50	20	DDGD	
O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNc1cccc(F)c1	154779492	MIOFZEHIGWQLQU-STQMWFEESA-N	319.336	1.444	50	20	DDGD	
CNC(=O)[C@]1(C)CCN(C[C@H](CBr)C2CC2)C1	859289826	HCZKHWMWEUMDMH-WCQYABFASA-N	303.244	1.866	50	20	DDGD	
Cc1nn(C)cc1C(=O)N(C)NC(=O)OCc1ccccc1	862287661	ROXLPLPLMIPBKT-UHFFFAOYSA-N	302.334	1.642	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N(C)C[C@H]2CCCOC2)s1	107740058	MRDONMNZVZAZLA-LLVKDONJSA-N	311.407	1.769	50	20	DDGD	
O=C(NC[C@@H]1CCOC1)NNC(=O)c1cccc2ncccc12	106545360	ALYPXSHJLRFWFS-NSHDSACASA-N	314.345	1.215	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NCc1ccsc1	172349908	RBINCGGAWFSMOV-UHFFFAOYSA-N	319.386	1.795	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2ncoc2C)c1	102322139	OXZWENBCAGXMNA-UHFFFAOYSA-N	303.318	1.440	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Cc1c(C)[nH]c2ccccc12	109860811	INCQRBVARDPKBV-UHFFFAOYSA-N	311.345	1.512	50	20	DDGD	
CCNC(=O)NNC(=O)CSc1ccc(C(F)(F)F)cn1	65190883	IDLKFVLRJZKKIQ-UHFFFAOYSA-N	322.312	1.543	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CCn1cnc2ccccc21	171733906	NWBNOFHBGBTKGO-UHFFFAOYSA-N	304.350	1.982	50	20	DDGD	
C[C@H](c1cccc(Cl)c1)N(C)CC(=O)NNC(=O)C1CC1	112977298	QJJFEUREGIPSEQ-SNVBAGLBSA-N	309.797	1.890	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCc2cccs2)c1	78263375	IYSHARGPRJVRGV-UHFFFAOYSA-N	318.402	1.958	50	20	DDGD	
COC1CCN(C(=O)NNC(=O)c2cc3ccccc3o2)CC1	78347262	AYLPXFQLCSLHJD-UHFFFAOYSA-N	317.345	1.898	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CO)sc1-c1ccc(F)cc1	182763128	SMOBEIZKBIRYNX-UHFFFAOYSA-N	308.334	1.616	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1cnn(C)c1)c1ccc(C)cc1	118054430	LQDMFLIQPQMFQD-AWEZNQCLSA-N	315.377	1.824	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(-c2ccccc2)[nH]1	171765932	AXECSCRMOVLLPQ-UHFFFAOYSA-N	316.361	1.662	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(Cl)nn2)c(N)c([N+](=O)[O-])c1	118499934	WPZACVRFIXLFTH-UHFFFAOYSA-N	322.712	1.686	50	20	DDGD	
O=C(/C=C/c1ccco1)NNC(=O)CCOc1ccccc1	61481612	ZIQKJSDJJRSVKK-CMDGGOBGSA-N	300.314	1.909	50	20	DDGD	
CC(=O)N1CCC(C(=O)NNc2cc(F)c(F)c(F)c2)CC1	175517257	ZQXFYZUGOPOORW-UHFFFAOYSA-N	315.295	1.806	50	20	DDGD	
Cc1ccc(/C=C/C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1	68742325	WDSMVTKGBKEASY-XVJNWHFHSA-N	322.430	1.501	50	20	DDGD	
C[C@H](O)[C@H](C)SCC(=O)NNC(=O)c1ccc(F)cc1	79051500	WCTXSGCLTTZWLV-IUCAKERBSA-N	300.355	1.089	50	20	DDGD	
Cc1cnc(CNC(=O)NNC(=O)c2ccccc2O)s1	74758439	RAKNKCNUXDCBSO-UHFFFAOYSA-N	306.347	1.301	50	20	DDGD	
COC(=O)c1cccc(CC(=O)NNC(=O)c2ccc(C)o2)c1	123606834	AGBMMXPJMPWOFE-UHFFFAOYSA-N	316.313	1.378	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1ccc(C(N)=O)c(F)c1	184860700	FXYIXUIPVMFBHQ-UHFFFAOYSA-N	310.329	1.514	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2c[nH]c3ccccc23)cc(=O)[nH]1	181166567	OFIUAKHOLSOBQA-UHFFFAOYSA-N	324.340	1.493	50	20	DDGD	
O=C(/C=C/c1ccc(Cl)nc1)NNC(=O)c1ccncc1	121371554	MPTOMGWCDOKCRS-DUXPYHPUSA-N	302.721	1.604	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNC(=O)COCc1ccccc1	182764500	IEBOFRREZNAPCL-CYBMUJFWSA-N	308.378	1.413	50	20	DDGD	
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NNc1cc(Cl)ccn1	180897707	RHAVQGNGQSQUAR-RKDXNWHRSA-N	313.789	1.664	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1ccc(-n2ccnn2)cc1	181831254	JNISYXDMGHUKQK-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ccc(Cl)cc2)cn1	131114201	MUJKNROXNWEXEY-UHFFFAOYSA-N	320.736	1.825	50	20	DDGD	
Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)N(C)C)cc2)n1	194933463	KTJIWFVUVJDAGW-UHFFFAOYSA-N	301.350	1.405	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNC(=O)c1cc2ccccc2o1	135314863	QNSBESJBOGCBHR-UHFFFAOYSA-N	318.329	1.783	50	20	DDGD	
O=C(CSCc1ccncc1)NNC(=O)c1cccs1	48910041	ZECVFEOPRUMELZ-UHFFFAOYSA-N	307.400	1.838	50	20	DDGD	
CC(C)C[C@@H](C)NC(=O)NNC(=O)COc1ccc(C#N)cc1	133534236	GWVUFASRXNTWOD-GFCCVEGCSA-N	318.377	1.702	50	20	DDGD	
CN(C)C(=O)NNS(=O)(=O)c1cc(Cl)cc(Cl)c1	194856754	ZRYMBWGWQBKADG-UHFFFAOYSA-N	312.178	1.458	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCC(=O)Nc1cccc(CC)c1	131502396	NPVCXELNMSCWFR-RAXLEYEMSA-N	301.346	1.748	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc1	43931558	NCJAGMCBGKSCQD-NSHDSACASA-N	321.377	1.669	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cccc(-n2cccc2)c1	194903024	KDJVKIOFAJWBKT-UHFFFAOYSA-N	314.345	1.164	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC[S@](=O)C(C)(C)C)o1	84159414	XBFIQSQHLXCOJA-OAQYLSRUSA-N	315.395	1.079	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1COc2ccc(F)cc2C1	90367757	UGHWHXDAGIXTBK-SNVBAGLBSA-N	309.366	1.058	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)Cc2ccc(F)cc2)C[C@@H](C)O1	245565066	DMRGHJVUDAKNCC-GNXNZQSNSA-N	323.368	1.655	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)N[C@H]1CCSC1	266779833	KEXHXVUIFKCONE-LBPRGKRZSA-N	323.418	1.464	50	20	DDGD	
CCOC(=O)CC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	263732887	UKJVKAFRNBHQMJ-VIFPVBQESA-N	324.402	1.587	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)n1	268115815	DSGGFCOERQPSNK-RNCFNFMXSA-N	304.398	1.202	50	20	DDGD	
O=C(NNC(=O)N1CCC([C@H]2CCOC2)CC1)c1ccccc1	368170002	ZMSVOVDRONBIGV-HNNXBMFYSA-N	317.389	1.790	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNc1ncc(C(=O)OCC)c(C)n1	272248121	YVQJVAFOBBROIY-NSHDSACASA-N	322.365	1.386	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)Cc1cccc2cccnc12	274409055	ZNJMGRDGOBKWNE-UHFFFAOYSA-N	322.390	1.231	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)NNc2ccc([N+](=O)[O-])cc2)C1	366347454	RVOLLJAVJSGAGT-AWEZNQCLSA-N	306.322	1.296	50	20	DDGD	
CCCC[C@H](NNC(=O)COc1ccc(OC)cc1)C(=O)OC	270553381	GXFCLDSQHZAMQB-AWEZNQCLSA-N	324.377	1.427	50	20	DDGD	
CSCC[C@@H](N)C(=O)NNC(=O)c1c[nH]c2ccccc12	272389846	XVFCIAGLTIQQGG-LLVKDONJSA-N	306.391	1.009	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccc(N2CCCC2=O)c1	271251743	FKHVNJAJVJWRFV-UHFFFAOYSA-N	304.350	1.120	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H](NC(=O)NNc2ccc(Cl)nn2)C1	279673224	FNXYGLNCAYHKRW-JGVFFNPUSA-N	313.745	1.098	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@]12CCOC2)Nc1ccc(Cl)cc1	374703640	RUGAOEYOPVAOFU-SMDDNHRTSA-N	309.753	1.919	50	20	DDGD	
CO[C@@H](C)CN(C)C(=O)NNC(=O)CCCc1ccccc1	287791001	LEDOXFPEAPKYBE-ZDUSSCGKSA-N	307.394	1.717	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cc2ccccc2c(=O)o1	280795963	LMLFBINVBUDQKQ-UHFFFAOYSA-N	304.302	1.963	50	20	DDGD	
CCc1ccc(N2C[C@H](C(=O)NN(C)C(=O)OC)CC2=O)cc1	286518254	XJSZDTVBXOIQKV-GFCCVEGCSA-N	319.361	1.331	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1	288474727	REOGVLNRYAEWPZ-INIZCTEOSA-N	305.422	1.508	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2ccn(C(C)C)n2)n1	280829527	UXYJHSDQVZWMOB-UHFFFAOYSA-N	302.338	1.634	50	20	DDGD	
O=C(NNc1ncccc1F)C1CCN(CC(F)F)CC1	286114218	WKZLNYWETSIMPA-UHFFFAOYSA-N	302.300	1.641	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NC2CCCC2)cnn1C(C)(C)C	299375172	WYVDDYMTOKXGBU-UHFFFAOYSA-N	307.398	1.833	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@@H]2CCCCN2C)cc1	802117665	XWRUACDYSLXWNY-AWEZNQCLSA-N	319.409	1.390	50	20	DDGD	
CC1(C)COc2c(C(=O)NNC(=O)[C@@H]3CCCO3)cccc21	292112044	JEFYZGHQVWCETG-LBPRGKRZSA-N	304.346	1.297	50	20	DDGD	
Cc1noc(C)c1C[C@@H](C)NC(=O)NNc1ncncc1F	292845026	YVIRMWDZOLPRNQ-SSDOTTSWSA-N	308.317	1.478	50	20	DDGD	
CC[C@@H](C)[C@H](CNC(=O)NNc1ccc(Cl)nn1)OC	297932756	VSYOUYKIFCAUQP-BDAKNGLRSA-N	301.778	1.817	50	20	DDGD	
COCCOc1cncc(C(=O)NNc2cc(Cl)ccn2)c1	801183862	ABOIDSSTJLGKDP-UHFFFAOYSA-N	322.752	1.912	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1[nH]nnc1-c1ccccc1	801622982	VOWKIAPDPVLRRE-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
C[C@H](OCCc1ccccc1)C(=O)NNC(=O)[C@H]1CCCCO1	295254139	ALMPATPBQXHQAZ-DZGCQCFKSA-N	320.389	1.351	50	20	DDGD	
Cc1cccc(NC(=O)NNC(=O)N2CCN(C)CC2)c1C	808470568	CFGAGYJGBLQEOO-UHFFFAOYSA-N	305.382	1.297	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNC(=S)N[C@@H](C)C1CC1	290879003	BFTPMDBGNRYYDT-NSHDSACASA-N	301.415	1.504	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)c1cccnc1F	807176173	MNGPYOBVOMVJKH-UHFFFAOYSA-N	321.333	1.480	50	20	DDGD	
CCc1ccc(S(=O)(=O)NN(C)C(=O)OC)cc1CC	295959592	JVWGSOLFBVXEHN-UHFFFAOYSA-N	300.380	1.703	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)c2n[nH]cc2C)c1	802109805	HEEQMGSOFCDEGS-UHFFFAOYSA-N	323.740	1.847	50	20	DDGD	
Cc1ncc2n1CC[C@H](C(=O)NNc1ccc([N+](=O)[O-])cc1)C2	290499133	MDMPFXNYDLDPPW-NSHDSACASA-N	315.333	1.805	50	20	DDGD	
CC1CCN(C[C@@H](C)C(=O)NN=Cc2cn(C(C)C)nn2)CC1	807957436	MUHJFXVFNXWFDQ-CQSZACIVSA-N	320.441	1.677	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNC(=O)CC2CC2)ccc1F	806977280	CGOKCLQGALIPIT-UHFFFAOYSA-N	307.325	1.274	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cnnc(-c2ccccc2)c1	810179480	RSHITGYVCAYDJB-UHFFFAOYSA-N	324.262	1.857	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ncc(Br)s1	819136049	KDQAJNQZVRGOEK-UHFFFAOYSA-N	304.169	1.467	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=C1COc2ccccc21	814827438	KEHOYBCQXSZEPG-UHFFFAOYSA-N	315.354	1.391	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2ccc(F)cc2C)nn1C	817386097	RIPVSGVHXGSZDZ-UHFFFAOYSA-N	319.340	1.512	50	20	DDGD	
Cc1ccc2snc(C(=O)NNC(=O)c3c[nH]nc3C)c2c1	815506461	YLYXQAAREUTYOY-UHFFFAOYSA-N	315.358	1.711	50	20	DDGD	
CC(C)OCCONC(=O)NNC(=O)Cc1ccc(F)cc1	812950976	JURPHUHQWDEYEA-UHFFFAOYSA-N	313.329	1.055	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NN=C(C)c1cc(CO)on1	812224578	PLBKSPFQXANUFL-UHFFFAOYSA-N	323.736	1.983	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)CCCc1ccccc1)C1CCC1	813438427	KJGDVKTWOIAHDM-QGZVFWFLSA-N	304.390	1.708	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)Cn1ccc2ccccc21	811641413	BIDOUNGEPXEUEL-CQSZACIVSA-N	312.373	1.802	50	20	DDGD	
COc1ccc2oc(C)c(C(=O)NNc3cnnn3C)c2c1	816769906	BKFHMGKRUHQWAO-UHFFFAOYSA-N	301.306	1.635	50	20	DDGD	
COC1([C@H](C)NC(=O)NNc2ccc(F)cn2)CCOCC1	817178352	UHEVFRTYFYLGIV-JTQLQIEISA-N	312.345	1.431	50	20	DDGD	
Cn1ccc(C(=O)NNC(=O)CSc2ccc(Cl)cc2)n1	727364217	OKCGEJGTXCDKTQ-UHFFFAOYSA-N	324.793	1.627	50	20	DDGD	
CSC[C@H](C)C(=O)N1CCC(C(=O)NN(C)C2CC2)CC1	819652666	ZKCRCWJTBUPVLP-NSHDSACASA-N	313.467	1.350	50	20	DDGD	
Cc1cccc(CN(C)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1C	827269210	WBOZRDQNKOEDBX-ZFWWWQNUSA-N	319.405	1.901	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)/C=C/[C@H]1CCOC1	822732495	ZAQOIJJHCPDJOY-PORFMDCZSA-N	308.309	1.648	50	20	DDGD	
COC(=O)c1ccccc1C=NNC(=O)Cc1nc(C)cs1	725859268	UTWAUQDQLWZGFI-UHFFFAOYSA-N	317.370	1.931	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2ccc(N3CCCC3)cn2)cn1	491176030	NEYALEWWGUGYTN-RIYZIHGNSA-N	322.372	1.961	50	20	DDGD	
CN1CCCC[C@H](C(=O)NNc2nccnc2C2CCC2)C1=O	822927395	KYFMMSHNEDCYJW-GFCCVEGCSA-N	317.393	1.446	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCc1ccc(-c2ccccc2)[nH]1	823970957	NINUMFYPFWVZLP-ZDUSSCGKSA-N	301.390	1.958	50	20	DDGD	
C=CCNC(=S)NNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1	490551557	ISSBNROBFOUOCT-YVMONPNESA-N	306.347	1.289	50	20	DDGD	
COC(=O)NNC(=O)Nc1cnc(Cl)c(Br)c1	495331869	RPXVFEDMSQODPR-UHFFFAOYSA-N	323.534	1.890	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)C(C)C)cc1N1CCOC1=O	494989128	BXLINELZYCDYOW-UHFFFAOYSA-N	320.349	1.760	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CC23CCSCC3)c(O)c1	825498823	QQFCIHWTJHCGET-LBPRGKRZSA-N	320.414	1.995	50	20	DDGD	
CC(C)(CCC(=O)NN=c1cc[nH]c2ccccc12)[N+](=O)[O-]	825759871	CAUKRMVEKQMUQO-UHFFFAOYSA-N	302.334	1.935	50	20	DDGD	
C[C@H](C[C@H](O)c1ccccc1)NC(=O)/C(C#N)=C\c1cnn(C)c1	491176558	QGFKKSKRWVCCFV-ATDTYXHNSA-N	324.384	1.955	50	20	DDGD	
CCOC(=O)N1CC[C@H](NC(=O)[C@]2(C)C[C@H]2Br)C1	907446997	PYTRIFZASCPHRB-YGOYTEALSA-N	319.199	1.507	50	20	DDGD	
CCc1onc(C)c1C=NNC(=O)CNC(=O)c1cccs1	901181558	BOFPNQGVXMOQTP-UHFFFAOYSA-N	320.374	1.487	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H](O)c1ccccc1C(F)(F)F	908113930	YSLZXBUVNMLMLV-VIFPVBQESA-N	306.240	1.468	50	20	DDGD	
COC(=O)N(C)NC(=O)C1(NC(=O)OC(C)(C)C)CCC1	496025716	XFJFAEYXXAIOFS-UHFFFAOYSA-N	301.343	1.163	50	20	DDGD	
C[C@@H](NCc1ccccc1B(O)O)c1cccc(N2CCCC2)c1	585027913	ANHSZCXKTKOCRW-OAHLLOKOSA-N	324.233	1.817	50	20	DDGD	
O=C(CCCc1nn[nH]n1)NNc1cc(Cl)ccc1Cl	821158790	RDWMMSCMCCKCAM-UHFFFAOYSA-N	315.164	1.973	50	20	DDGD	
CCc1cc(CNC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)n[nH]1	732791113	PHNSYKVSKJRDEH-ACAGNQJTSA-N	322.372	1.714	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(CC(C)C)C2CC2)cc1	733793585	LVDRXDYSPHMICZ-UHFFFAOYSA-N	303.406	1.876	50	20	DDGD	
CCN(CCO)NC(=O)c1ccn(-c2ccc(F)cc2C)n1	823873542	CXRDBOYNFQQIJK-UHFFFAOYSA-N	306.341	1.279	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCCC(=O)N2C)c1	905102922	FBHZTODMYWGYRA-LBPRGKRZSA-N	320.418	1.324	50	20	DDGD	
CN(C)C(=O)COc1ccccc1C=NNC(=O)C1CCC1	731934112	UACSVMCWRZRSAK-UHFFFAOYSA-N	303.362	1.404	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CC[C@@H]2CC[C@@]21c1ccccc1	585010352	OIKNAGXMCYOKEQ-QFBILLFUSA-N	321.185	1.518	50	20	DDGD	
O=S(=O)(CCl)N[C@@H](CO)c1ccc(C(F)(F)F)cc1	830967595	VOJHZSIKLWLQLT-VIFPVBQESA-N	317.716	1.855	50	20	DDGD	
CCOC(=O)NNC(=O)CCCOCc1ccc(OC)cc1	494065387	NVXRBXMVXWTFQW-UHFFFAOYSA-N	310.350	1.769	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN[C@H]1CCC[C@@H]2C[C@H]12	839197006	SOGYARRWJLOJDL-PMPSAXMXSA-N	315.417	1.463	50	20	DDGD	
O=C(c1cc(-c2cccc(Cl)c2)no1)N1CC[C@@H](B(O)O)C1	585078261	XCKUJFJMMNDQJY-SNVBAGLBSA-N	320.541	1.684	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)OCCNC(=O)C1CC1	909183201	WGAMUFHBCXVIJD-VIFPVBQESA-N	306.200	1.865	50	20	DDGD	
CC(C)Oc1ccc(-c2nc(C(=O)NCB(O)O)cs2)cc1	585061764	GFQSTGIEXGVPLG-UHFFFAOYSA-N	320.179	1.339	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)COc1cccnc1	732065470	IYFLZVVBNSKYBL-UHFFFAOYSA-N	304.258	1.983	50	20	DDGD	
C[C@@H]1C[C@H](c2ccccc2)CN(C(=O)c2cccc(B(O)O)c2)C1	584996994	SRSUHBIDEUYTSB-PBHICJAKSA-N	323.201	1.632	50	20	DDGD	
C=C(CC)CNC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	838719504	IJPLXGHGXBASME-UHFFFAOYSA-N	318.377	1.539	50	20	DDGD	
COc1ccc(-n2cc(C=NNC(=O)NC(C)C)cn2)cc1	834949269	SKAISXZMGMTGEN-UHFFFAOYSA-N	301.350	1.922	50	20	DDGD	
OB(O)c1ccc(CN[C@H](Cc2ccccc2)C2CC2)c(F)c1	585029395	REYLTAVEKVIIJV-GOSISDBHSA-N	313.181	1.616	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2cc(O)cs2)c1	732257490	QCAROVPZAKLZAH-UHFFFAOYSA-N	320.370	1.911	50	20	DDGD	
C[C@@]1(C(=O)NCC2CC3(C2)OCCO3)C[C@@H]1Br	832177392	YFEUZOJVDKPHAO-GXSJLCMTSA-N	304.184	1.429	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)Nc1ccc(OC)cc1)OC	836464160	PRGFBPICCHXAQN-NSHDSACASA-N	310.354	1.456	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)C1(C(=O)NC2CC2)CCC1	735688615	CVDJZYVPFWDDBN-UHFFFAOYSA-N	309.757	1.022	50	20	DDGD	
C=C(C)CNC(=S)NNC(=O)[C@@H](C)CN1CCC(C)CC1	916118057	ZLMCIMOLXKGJHL-ZDUSSCGKSA-N	312.483	1.426	50	20	DDGD	
C[C@]1(C(=O)NNC(=S)NCC2CCC2)C[C@@H]1Br	912110608	QCQKYIGXHNQYRY-KWQFWETISA-N	320.256	1.455	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCOc1ccc(F)cc1Cl	910170391	JYXGWDBKUNNFDI-VIFPVBQESA-N	304.749	1.592	50	20	DDGD	
COCCCOc1cccc(CNS(=O)(=O)CCl)c1	830929417	MTRDENNQAGRLSE-UHFFFAOYSA-N	307.799	1.718	50	20	DDGD	
COCCONC(=O)NNc1ncnc(Cl)c1C(C)C	840361839	KMNZUFRVCYPZMY-UHFFFAOYSA-N	303.750	1.458	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cc([N+](=O)[O-])ccc1F	747323751	OKGXUQNVWWBCSC-UHFFFAOYSA-N	318.264	1.133	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccnc(F)c2)c1	748696001	AIIGZZYARMHORL-UHFFFAOYSA-N	317.320	1.678	50	20	DDGD	
COCC1(CC(=O)NNC(=O)c2cccc3ncccc23)CC1	843791114	JFLLUQCZGRDMTB-UHFFFAOYSA-N	313.357	1.813	50	20	DDGD	
CO[C@@H](C=NNC(=O)COc1ccc(F)cc1)[C@H]1CCOC1	841613139	SVSXGKGKVZKOBP-FZMZJTMJSA-N	310.325	1.358	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2C[C@]2(C)c2ccccc2)n1	745858756	SYUCATHWMANFIJ-BLLLJJGKSA-N	313.361	1.842	50	20	DDGD	
CC(C)[C@H](C(=O)NN(C)C[C@@H](C)O)N1Cc2ccccc2C1=O	910182045	GQOUKKJKAPWUQS-IUODEOHRSA-N	319.405	1.011	50	20	DDGD	
O=C(NCCCC1CCCCC1)NNC(=O)c1ncccn1	841580105	GHQROCLEPIVCJQ-UHFFFAOYSA-N	305.382	1.781	50	20	DDGD	
COCC(C)(C)CNC(=O)NNc1ccc(CC(=O)OC)cc1	845217076	VAXBYPBCEXXAIP-UHFFFAOYSA-N	323.393	1.701	50	20	DDGD	
CCCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H]1CC1(C)C	841623035	DOXJHJVDKIHYMF-ZJUUUORDSA-N	303.428	1.243	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ncccn1	841349836	AEWJKAHZELMFAM-JHJVBQTASA-N	302.378	1.844	50	20	DDGD	
Cc1cnc2cc(C(=O)NNC(=O)NC3CCCCC3)ccn12	847287566	VUAXWPCZUMWBCW-UHFFFAOYSA-N	315.377	1.919	50	20	DDGD	
N#Cc1ccc(C(=O)NN=Cc2cnc(N3CCCC3)nc2)cc1	747052802	NZEDNOKJBDCAMN-UHFFFAOYSA-N	320.356	1.712	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCCCCC1)c1ncccn1	841613892	IGCRJGWYXAYQQL-CYBMUJFWSA-N	303.410	1.829	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1(c2cccnc2)CCCC1	843657586	RSGGDKKUVPZSFA-GXTWGEPZSA-N	317.389	1.466	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc(Cl)c(F)c2)c(O)nc1=O	746695524	FIVWNNMXMYQHHQ-UHFFFAOYSA-N	312.688	1.035	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)C1	843798222	IJAUUQUWKOXBJP-NSHDSACASA-N	312.329	1.003	50	20	DDGD	
CC[C@@](O)(C(=O)NN(C)C[C@@H](C)O)c1cccc(Cl)c1	910149518	FSCWBCPEKHROMK-YGRLFVJLSA-N	300.786	1.281	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1nc(Cl)sc1Cl	848157275	FLZMEGFIFZFJRO-RXMQYKEDSA-N	324.189	1.780	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1coc2cc(F)ccc12	748533919	XSTAALZMBCLCNN-UHFFFAOYSA-N	323.324	1.481	50	20	DDGD	
Cc1cccc(OCC(=O)NNc2ccnc(N(C)C)n2)c1	740103382	ZYDORQRMFGMIGE-UHFFFAOYSA-N	301.350	1.373	50	20	DDGD	
CC[C@H](N)CNC(=O)NNc1ccccc1OC(F)(F)F	842003243	AAGJKAHNKXSWPJ-QMMMGPOBSA-N	306.288	1.949	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@@H]1COCc2ccccc21	841587319	RZJRVQFFTUDGQG-CQSZACIVSA-N	303.362	1.779	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)n1	747985744	GJBRLESNBGNHCZ-UHFFFAOYSA-N	316.273	1.533	50	20	DDGD	
O=C(Cn1nnc(-c2ccccc2)n1)NN=C/C=C\c1ccco1	920362254	SNBBTPBXCJTXGP-DIAYEQPTSA-N	322.328	1.749	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)C[C@@H]1CCC(=O)N1C	847115816	MDFRBQIDZDMBRA-NSHDSACASA-N	304.350	1.159	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1ccccc1CC(=O)OC	846759889	YMSLUQDWDUNRIC-KAMYIIQDSA-N	302.330	1.462	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)CCc1ccccc1F	849304636	SVWYWUNKNXQHFF-JTQLQIEISA-N	302.371	1.365	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@]2(O)CCOC2)c(C(F)(F)F)c1	840444277	XCHLZEVMPGHLDJ-LBPRGKRZSA-N	315.251	1.172	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C[C@@H](C)n2ccnc2)c1	920432856	XREQHSITPWZZOH-CYBMUJFWSA-N	316.361	1.369	50	20	DDGD	
COC(=O)[C@@]1(NC[C@@H](CBr)C2CC2)CCOC1	859221964	RGIJVFDDEZJGFQ-ZYHUDNBSSA-N	306.200	1.329	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)C(C1CC1)C1CC1	753655810	NDJWYVOUZTXJEZ-UHFFFAOYSA-N	308.403	1.969	50	20	DDGD	
C[C@]1(C(N)=O)CCN(C(=O)NC[C@]2(C)C[C@@H]2Br)C1	856897530	NPIIRJJHSGVNMN-UWJYBYFXSA-N	318.215	1.067	50	20	DDGD	
CC[C@H](Cc1ccccc1)NC(=O)NNC(=O)c1cn[nH]c1	858185706	XMRZOGKTRNUFAA-CYBMUJFWSA-N	301.350	1.375	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@H]1Br	857736881	QPRWYINPVZIAPF-KBVBSXBZSA-N	318.215	1.067	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C[C@@H](n1cccn1)C(F)(F)F	854667651	OBOROYNPFNCHMW-SECBINFHSA-N	304.272	1.324	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)C1CCCC1	755316856	KUGZHSGYNNQXSY-UHFFFAOYSA-N	322.321	1.946	50	20	DDGD	
Cn1cc([N+](=O)[O-])cc1C(=O)NNC(=O)NC1CCCCC1	754571297	VQFDRGFZBNJTBX-UHFFFAOYSA-N	309.326	1.210	50	20	DDGD	
CC(C[C@@H]1CCOC1)=NNC(=O)c1cccc(S(C)(=O)=O)c1	751527584	WEHUWKOMZJSLQU-LBPRGKRZSA-N	324.402	1.622	50	20	DDGD	
COc1ccc(OC(C)(C)C(=O)NNC(=O)c2ccc[nH]2)cc1	854278488	WTAQALQJHUXSNU-UHFFFAOYSA-N	317.345	1.642	50	20	DDGD	
C[C@@]1(CNC(=O)c2cc(F)cnc2O)C[C@H]1Br	857407880	MYPOPPVRFMXVLQ-KCJUWKMLSA-N	303.131	1.830	50	20	DDGD	
Cc1cc(OCC(=O)NNC(=O)c2cc[nH]n2)ccc1C(C)C	855361722	IANLNKJRQZNIBX-UHFFFAOYSA-N	316.361	1.682	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1cccc(N(C)C)c1)C1CC1	852597080	QTQRWCDWFXEKEP-CQSZACIVSA-N	304.394	1.885	50	20	DDGD	
COc1cc(F)ccc1NC(=O)NNC(=O)c1c[nH]nc1C	755668413	VUBSSRUSDJYSGX-UHFFFAOYSA-N	307.285	1.332	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cnn(Cc2ccccc2)c1C	921038293	PJSRYMUFTGFICD-UHFFFAOYSA-N	315.377	1.594	50	20	DDGD	
N#C[C@@]1(C(=O)NNC(=O)c2cccc(Cl)n2)CC12CCCC2	857324758	MJSUTZCGMGHBTM-OAHLLOKOSA-N	318.764	1.970	50	20	DDGD	
Cn1cc([C@@H]2C[C@H]2C(=O)NC[C@]2(C)C[C@@H]2Br)cn1	857385921	NUKWIKFZHZSQER-NOHGZBONSA-N	312.211	1.813	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCCO[C@H]1CCCCO1	854552575	VNFQNHYFGYLCRX-QBOMHBFWSA-N	316.357	1.959	50	20	DDGD	
CCc1nnc(NC(=O)NNC(=O)c2ccccc2OC)s1	755405415	MUIXMPPBOKFJAY-UHFFFAOYSA-N	321.362	1.576	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1cc(C(F)(F)F)nn1C	853368030	AJBQPCJXJYNMLX-APPZFPTMSA-N	304.272	1.314	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc(-n2cnnn2)c1C	755444641	PZYIVRJVSHUJDM-VIFPVBQESA-N	317.353	1.170	50	20	DDGD	
CCCC[C@H](CN)NC(=O)NC[C@@]1(C)C[C@@H]1Br	857103444	JEVWPEFKUUPOHJ-JFGNBEQYSA-N	306.248	1.977	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1	852554711	BPNQWLWVNLDNMH-ZDUSSCGKSA-N	320.349	1.134	50	20	DDGD	
CCc1ncc(NC(=O)NNC(=O)c2ccccc2OC)cn1	757747770	CNFDZMQVBZUTLE-UHFFFAOYSA-N	315.333	1.514	50	20	DDGD	
COc1ccc(NNC(=O)[C@@]2(C3CCCC3)CCNC2=O)cc1	863867455	ZVFFOGHIEDCZJU-QGZVFWFLSA-N	317.389	1.835	50	20	DDGD	
COCCN(C)NC(=O)c1ccc2c(c1)nc(O)n2CC1CC1	935911187	CYUUQKNVSXTHFA-UHFFFAOYSA-N	318.377	1.375	50	20	DDGD	
Cc1ccc([C@@H](C)C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1	863082547	NEPGLZZZENLCFS-GXTWGEPZSA-N	323.418	1.571	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@H]1C[C@]12CCOC2	763733845	HAQKXRJLNRQYMR-WFASDCNBSA-N	308.765	1.457	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1c(F)cccc1Cl	765320303	XRGQBJOVHSBZNI-UHFFFAOYSA-N	308.700	1.763	50	20	DDGD	
CC(C)c1ocnc1C(=O)NNC(=S)Nc1ccccn1	768581895	ZDZSAWURWJQOJM-UHFFFAOYSA-N	305.363	1.824	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1ccc(F)nc1	766670436	OYKVQVICODILOO-UHFFFAOYSA-N	309.322	1.381	50	20	DDGD	
Cc1cc(C)n(-c2cccc(NCc3ccccc3B(O)O)c2)n1	864025115	DLOAGGOAIXTVIQ-UHFFFAOYSA-N	321.189	1.781	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@H]2CCSC2)c1	762443938	YWEXCQDKFVNCBT-JTQLQIEISA-N	309.391	1.008	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1cc(OC)no1	768675190	GOFOGSQEDHJQCO-UHFFFAOYSA-N	319.317	1.086	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)ns1	766351368	NLYUFJATVDEJNX-VIFPVBQESA-N	323.349	1.819	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1csc(-c2ccc(O)cc2)n1	768244338	KNRGJVPMFUSASK-UHFFFAOYSA-N	321.358	1.048	50	20	DDGD	
Cc1nn(CC(F)F)c(C)c1C(=O)NN[C@H](C)C(F)(F)F	862317179	FOGOQQRPAWSGCE-SSDOTTSWSA-N	314.258	1.950	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CO[C@H]2CCCC[C@H]2C)n[nH]1	869012071	FIKYKKWWIXDWJK-MFKMUULPSA-N	308.382	1.003	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1cc(C(=O)OC)co1	766453294	BRZBHRKZVPWMJR-UHFFFAOYSA-N	323.349	1.211	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)CCc1ccncn1	862290251	RPXXRMHERSOSIC-UHFFFAOYSA-N	314.345	1.709	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cccc2c1OCO2	863093546	RIRWRXFZAVHUTN-UHFFFAOYSA-N	312.194	1.847	50	20	DDGD	
COCCN(C)NC(=O)Cc1cccc(C)c1Br	861657277	SNRPJZPWCWNIQT-UHFFFAOYSA-N	315.211	1.909	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)[C@@H]1CCC(=O)N1)CCS2	863152973	JZQMVNPDDLCDEU-LBPRGKRZSA-N	319.386	1.290	50	20	DDGD	
CO[C@]1(CNC(=O)NNc2cc(F)c(F)cc2F)CCOC1	764806217	UHDYNBHACTUJMB-ZDUSSCGKSA-N	319.283	1.536	50	20	DDGD	
COc1cccc([C@@H](O)C(=O)NNC(=O)c2ccccc2C)c1	764616521	GEVNULOOPWZBID-OAHLLOKOSA-N	314.341	1.498	50	20	DDGD	
Cc1cc(C(F)(F)F)n2nc(C(=O)NN(C)C3CC3)cc2n1	868961977	ISXCXBDATNAMNN-UHFFFAOYSA-N	313.283	1.796	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1cc(O)ccc1Br	769820587	IUMXLIMLLHMLAM-UHFFFAOYSA-N	323.150	1.950	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNc1oc(C(C)C)nc1C#N	762966696	UYORNPXIOBJGEJ-UHFFFAOYSA-N	308.338	1.702	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)Cc2csc(C)n2)oc1C	767146615	SIUQMZGAEMVVBM-UHFFFAOYSA-N	321.358	1.832	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1	878306757	GYQFZQYTPDFAJA-ZDUSSCGKSA-N	323.349	1.979	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H](NC(=O)NNC(=O)C1CCC1)C2	768111898	LWETUBQYKKWHNI-LBPRGKRZSA-N	319.361	1.129	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1cc2c(cc1OC)C[C@H](C)O2	875404830	IJEPEHMEPZDAOV-VIFPVBQESA-N	323.349	1.431	50	20	DDGD	
Cc1c(C(=O)NNc2ncnc3[nH]cnc23)ccc2cncn12	1116530482	KYXYJFRBXUZHJI-UHFFFAOYSA-N	308.305	1.066	50	20	DDGD	
COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CC=C(C#N)CC1	772942226	BXXJONMSLFCYMT-OLZOCXBDSA-N	312.391	1.204	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](C)c1ccc([S@](C)=O)cc1	875423408	MQMOOSGRHLDDNC-BTKVJGODSA-N	313.379	1.397	50	20	DDGD	
COC[C@@H](NC(=O)NN(C)C(=O)OC)c1ccc(F)c(F)c1	875457501	WDWJODSOUXQVLL-LLVKDONJSA-N	317.292	1.565	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)NCc2ccco2)c(F)c1	777372545	VDUGZIZOOSATAE-UHFFFAOYSA-N	319.292	1.766	50	20	DDGD	
COCCOCC(=O)NN=Cc1c(C2CC2)nc2sccn12	872401480	WVYNWWKANSDTHV-UHFFFAOYSA-N	322.390	1.386	50	20	DDGD	
Cc1cccc(NNC(=O)NC[C@H]2CCN(CC(C)C)C2)n1	875369199	GOAZNBSXBTVETC-CQSZACIVSA-N	305.426	1.994	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@H]1CCO[C@@H](CC)C1	772260145	URLCHLJINOBGPT-SRVKXCTJSA-N	314.382	1.071	50	20	DDGD	
Cc1nc(-c2ncccn2)sc1C(=O)NNc1ccn(C)n1	1116852665	QCASOHMVQVKIDL-UHFFFAOYSA-N	315.362	1.399	50	20	DDGD	
Cc1nc2ncnn2c(C)c1CCC(=O)NCCCSC#N	773571361	MXRVESKNVFPELI-UHFFFAOYSA-N	318.406	1.394	50	20	DDGD	
CCC(=O)NN=Cc1c(Br)cc(C(=O)O)n1C	1116082162	ALMJIABHJDJGDH-UHFFFAOYSA-N	302.128	1.346	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CCCOc1ccccc1	771850836	OVACTQZLTHTDJX-LBPRGKRZSA-N	322.361	1.335	50	20	DDGD	
CN(CCN1CCN(C(=O)CCl)CC1)Cc1ccccc1	1116437605	JMQVPRUIHBPCHJ-UHFFFAOYSA-N	309.841	1.501	50	20	DDGD	
COCCOCC(=O)NN=Cc1cn[nH]c1-c1ccc(F)cc1	872403037	GSDFCDZUQZQIQO-UHFFFAOYSA-N	320.324	1.329	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=S)Nc2ccccn2)[C@@H]1C	874957506	MRGLPUCUGZKFTI-DTHBNOIPSA-N	308.407	1.459	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2cccc(OC(F)F)c2)CC1	778704224	NHQRMTYQCAJHJQ-UHFFFAOYSA-N	314.288	1.476	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CCCCO)cc1	771503418	XNAZFYHZYFVISS-LBPRGKRZSA-N	324.377	1.163	50	20	DDGD	
COCc1nc(C(=O)NNc2ccc(F)c(F)c2F)no1	775384754	OBPSVKNYYZZMDE-UHFFFAOYSA-N	302.212	1.390	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc(OC(F)F)cn1	773820366	CAFXYHNAOSZFHQ-UHFFFAOYSA-N	301.293	1.880	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1ccc(Cl)cc1	771886623	ZRRKMZMAAOMLBM-SECBINFHSA-N	312.753	1.372	50	20	DDGD	
O=C(NN=Cc1cc(F)cc(Cl)c1)[C@H]1CCS(=O)(=O)C1	776723419	ANKHQIZWQHQPBR-VIFPVBQESA-N	318.757	1.364	50	20	DDGD	
CSSCCNC(=O)Nc1ccc(S(C)(=O)=O)cn1	880513821	RRDDXDHRTRKJRX-UHFFFAOYSA-N	321.449	1.618	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Cn1cc(-c2cccs2)nn1	881307092	SHODRUOLDOUJPS-UHFFFAOYSA-N	307.379	1.200	50	20	DDGD	
Cc1ccncc1NC(=O)C(=O)NNc1ccc(F)c(F)c1F	784807004	OLKIPVHAGNMHNR-UHFFFAOYSA-N	324.262	1.889	50	20	DDGD	
C[C@@H]1C(=NNC(=O)N[C@H]2CCS(=O)(=O)C2)CCC[C@H]1C	781123050	PXJAGFQSJDMHOG-VWYCJHECSA-N	301.412	1.285	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1ccc(OCC(F)F)cc1	783804233	KVYNOSICIDGSAG-UHFFFAOYSA-N	308.306	1.050	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc(F)ccc1[N+](=O)[O-]	899995001	DEMKDQPNFAWHFF-UHFFFAOYSA-N	314.342	1.641	50	20	DDGD	
N#CCC1CCN(CC(=O)NNC(=O)c2ccccc2)CC1	782088385	JRDADOLTQGFLQU-UHFFFAOYSA-N	300.362	1.073	50	20	DDGD	
CCc1ccc(C(=O)NNc2ccc(-n3ccnc3)nn2)cc1	788173934	BYXIRNNHKHLXDG-UHFFFAOYSA-N	308.345	1.982	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn(C3CCC3)c2)c(O)c1	892927281	RPVIFWUYUGXWOR-UHFFFAOYSA-N	314.345	1.697	50	20	DDGD	
NC(=O)C(=O)NN=Cc1cnc(-c2ccc(Cl)cc2)s1	788950248	FLYQHCMMKQZGQG-UHFFFAOYSA-N	308.750	1.399	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)Cc3cnc[nH]3)cc2C1	899960583	CWAZAZOPOQVMHH-VIFPVBQESA-N	318.402	1.600	50	20	DDGD	
COC(OC)C(=O)NNC(=O)Cc1ccc2ccccc2c1	895747186	DZQKHWUQLCUBIA-UHFFFAOYSA-N	302.330	1.149	50	20	DDGD	
CC(=O)c1ccc(CC(=O)NNC(=O)c2cccc(C)n2)cc1	794085257	MNCKPFIKYAYNIU-UHFFFAOYSA-N	311.341	1.596	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53)c1ccccc1O	794897814	WXJUXOKQGVPIGJ-GOGUNFLPSA-N	324.380	1.547	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN(CC(F)(F)F)C1)NC1CCCC1	792102668	PFGSBUCDDXDITO-VIFPVBQESA-N	322.331	1.144	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])nn1	790590488	BMOLFQJVBBSOPK-UHFFFAOYSA-N	322.300	1.837	50	20	DDGD	
COc1cccc(C=NNC(=O)c2ccc(O)c(O)c2)c1O	794557109	PVYBUTUQDIFOJO-UHFFFAOYSA-N	302.286	1.576	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C(=O)Nc1cccc2c1CCO2	797083850	GGHDNLGONGPISQ-UHFFFAOYSA-N	316.292	1.237	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2occ3c2CCC3)c1	794761410	OIMQWWZLCYQQOP-UHFFFAOYSA-N	314.341	1.917	50	20	DDGD	
CC1(C)C(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)C1(C)C	793478410	OXDICOLKWCCKAP-CQSZACIVSA-N	317.455	1.050	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(C(C)(C)CC)cc1	790956475	JFCUMSKIVJOOQH-UHFFFAOYSA-N	305.378	1.870	50	20	DDGD	
C[S@@](=O)c1ccc(CC(=O)NNc2ncc(F)cn2)cc1	797961267	IAKWLLBRHLJWLH-OAQYLSRUSA-N	308.338	1.039	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@@H]2Cc3ccc(F)cc32)c1Cl	1326879253	HMQLUXPRKRADDN-SECBINFHSA-N	307.716	1.634	50	20	DDGD	
CN(CCCC(=O)NNc1ccn(C)n1)C(=O)OC(C)(C)C	1326192575	JMZWKXORQWPOKI-UHFFFAOYSA-N	311.386	1.510	50	20	DDGD	
COC1(C(=O)NNC(=O)CNc2ccccc2)CCCCCC1	1335404749	HYYXJBMOYZWAEZ-UHFFFAOYSA-N	319.405	1.985	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1nc2ccccc2n1C(F)F	1339879067	KPVJHGJOQVSXEZ-UHFFFAOYSA-N	310.260	1.445	50	20	DDGD	
C[C@@H]1CCc2nc(C=NNC(=O)c3cccnn3)sc2C1	1333197520	CLTJORGJOISURL-SECBINFHSA-N	301.375	1.822	50	20	DDGD	
O=C(NCCOC1CCSCC1)NNc1ncccc1F	1344932435	URKKHYJYHNGSEI-UHFFFAOYSA-N	314.386	1.759	50	20	DDGD	
C[C@]1(CNC(=O)c2cnc3[nH]ncc3c2)C[C@H]1Br	1347342138	HBDWDCFQSBKIMD-BXKDBHETSA-N	309.167	1.861	50	20	DDGD	
CN(C)Cc1cc(C(=O)NNc2nc3ccccc3n2C)no1	1261552285	NNXBAAPCBWVNCF-UHFFFAOYSA-N	314.349	1.380	50	20	DDGD	
CC1=NO[C@](C)(C(=O)NNc2ccnc(Br)c2)C1	1353646255	ZKRSXXNKDWOPRG-NSHDSACASA-N	313.155	1.842	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2[C@H]3OCCC[C@@H]32)cc1Cl	1602384768	KOPGKZIPJKNPCN-JLLWLGSASA-N	310.737	1.906	50	20	DDGD	
Cc1cnc(Cl)c(C(=O)NNc2ccc(C(=O)O)cn2)c1	1607907271	DPTUYNAMVGUHJW-UHFFFAOYSA-N	306.709	1.894	50	20	DDGD	
Cc1nocc1C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1606136637	XWBGRMBSHJKCEI-UHFFFAOYSA-N	319.712	1.573	50	20	DDGD	
O=C(O)[C@@H]1CN(S(=O)(=O)CBr)c2ccccc21	1608645512	YQPLSKMLUHRZIE-MRVPVSSYSA-N	320.164	1.357	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1csc(C(=O)O)n1	1608484020	ICOFYQYAOJXNNJ-UHFFFAOYSA-N	315.314	1.541	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCN1CCC[C@@H](O)[C@@H]1C(=O)O	1609669314	GJJYIDMJPGTBBV-VXGBXAGGSA-N	303.475	1.918	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)cc1F)NOC[C@@H]1CCOC1	1601556101	APKRBYACICHDNQ-MRVPVSSYSA-N	313.285	1.118	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)C1CC2(C1)CC2(F)F	1606855600	AEOIAAQGNODMAR-UHFFFAOYSA-N	320.303	1.745	50	20	DDGD	
COC[C@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2nn[nH]n2)cc1	1605052322	KDIRHOKURNDPNE-JLATVTFTSA-N	313.317	1.352	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C2(C(=O)O)CCC2)ccc1C	1604376060	JVKPDIUXWXIBNE-UHFFFAOYSA-N	306.318	1.480	50	20	DDGD	
O=C(NNc1cc(Cl)nc2ncccc12)[C@H]1C[C@H]1C(=O)O	1608481828	PUVKQDCQUZTXTB-JGVFFNPUSA-N	306.709	1.447	50	20	DDGD	
COc1cccc([C@H](NS(=O)(=O)CCCCl)C(=O)O)c1	1607331795	IJJHRMOCOBKNTB-NSHDSACASA-N	321.782	1.369	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1OC[C@@H]2CCC[C@@H]21	1606857245	AABADNURICLLHD-WCFLWFBJSA-N	314.349	1.125	50	20	DDGD	
O=C(COc1ccccc1F)NN=C1CCC[C@H](C(=O)O)C1	1610671308	NRPMLOIGNFSKTL-JTQLQIEISA-N	308.309	1.952	50	20	DDGD	
Cc1cc(Br)cnc1NNC(=O)C[C@H](N)C(F)F	1579552552	CYTBQEZLLZWGCT-ZETCQYMHSA-N	323.141	1.578	50	20	DDGD	
CCCC[C@H](N)C(=O)NNc1cc(Cl)nc(COCC)n1	1577410678	WDZRMVAVOMETDP-VIFPVBQESA-N	315.805	1.627	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCN[C@H]1CC	1578276565	FTZISXKFNVYWCG-KGLIPLIRSA-N	319.405	1.163	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)[C@H]1CCCNC1	1580735936	IMSOXOOMBXCVNN-FPMFFAJLSA-N	321.808	1.591	50	20	DDGD	
O=C([C@@H]1C[C@H]1C1CC1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843361344	AVZBIBMZWNMGCV-QJPTWQEYSA-N	314.788	1.770	50	20	DDGD	
CCOCC(=O)N1CCCC12CN(C(=O)[C@H](Cl)CC)C2	1842693995	YQXLISKBTHYJIP-LLVKDONJSA-N	302.802	1.244	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@]1(C(=O)O)C[C@@H]1c1ccccc1	1590232642	JMWDLNTWADBMCM-BZNIZROVSA-N	320.345	1.801	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=C1CCC[C@@H](C(=O)O)C1	1590150753	RHECXMVJTJQKGQ-SECBINFHSA-N	313.354	1.258	50	20	DDGD	
COc1cccc(CCC(=O)NNc2ncccc2C(=O)O)c1	1594126665	UVLHTHZILJAMCV-UHFFFAOYSA-N	315.329	1.864	50	20	DDGD	
Cc1ccc(-c2nn[nH]n2)cc1C(=O)NN(C)c1ccccc1	1592099317	HNABCAUDQWUFSC-UHFFFAOYSA-N	308.345	1.956	50	20	DDGD	
C[C@@H]1CCn2cc(C(=O)NNc3ccc(C(=O)O)cn3)nc2C1	1594451714	CWSPAABEIOGAGU-SECBINFHSA-N	315.333	1.316	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(C(=O)O)c(Cl)c1	1596861575	PEYITBUQFDQPEJ-UHFFFAOYSA-N	315.713	1.227	50	20	DDGD	
Cc1c(C(=O)O)cc(C=NNC(=O)c2ccccc2O)n1C	1599984366	GNNDSGUSOVCKSH-UHFFFAOYSA-N	301.302	1.501	50	20	DDGD	
O=C(O)CCc1ccc(C=NNC(=O)c2ccc(CO)o2)o1	1776097262	UZQXOJYALTYBMQ-UHFFFAOYSA-N	306.274	1.146	50	20	DDGD	
COCCCNC(=O)NN=Cc1cc(Cl)ncc1C(=O)O	1776039364	NSELGIGRIRKUOH-UHFFFAOYSA-N	314.729	1.103	50	20	DDGD	
CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Br)C2	1795761578	JYCZCQIRRORWFH-JXUBOQSCSA-N	307.163	1.335	50	20	DDGD	
CCOCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl	1796803854	HTDRBAFEKQNGIV-DTHBNOIPSA-N	306.765	1.196	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CC=CCC2)cc1	15813599	UMBIONCEHFJQQI-LBPRGKRZSA-N	301.346	1.437	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc2nc(C(C)C)sc2c1	161219278	MYTGVXMHLCKXFZ-UHFFFAOYSA-N	320.374	1.526	50	20	DDGD	
C[C@@H](C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)c1cccs1	151407502	WQOFCZWTMNZYCK-MNOVXSKESA-N	316.448	1.344	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@H]1CCc2cn[nH]c2C1	151855061	SUVZCKMVKAOHHP-VIFPVBQESA-N	301.306	1.566	50	20	DDGD	
Cn1ccnc(NNC(=O)CCC(C)(C)c2ccccc2)c1=O	152099048	AVXFMUXODWYXLU-UHFFFAOYSA-N	314.389	1.981	50	20	DDGD	
O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNc1ccccc1F	153174921	ORTQGWRQDHLNIF-GHMZBOCLSA-N	319.336	1.444	50	20	DDGD	
O=C(Cc1ccc(O)cc1)NNC(=O)c1ccc2ccccc2n1	153885705	QEGSEMKFLIZQIK-UHFFFAOYSA-N	321.336	1.944	50	20	DDGD	
O=C(NNc1ncccn1)Nc1cccc(C(=O)NC2CC2)c1	154345421	UWLFSSNIFOQJLP-UHFFFAOYSA-N	312.333	1.517	50	20	DDGD	
O=C1OCCN1C1CCN(CCI)CC1	852721519	QFJAVEPIZDETFP-UHFFFAOYSA-N	324.162	1.338	50	20	DDGD	
COc1ccsc1C(=O)NNC(=O)CNc1ccc(C)cc1	106283285	ROESZJYTPMKJNV-UHFFFAOYSA-N	319.386	1.938	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](C)c2cccc(O)c2)o1	176513121	BTKBJQAOZXCPPF-JTQLQIEISA-N	303.318	1.999	50	20	DDGD	
CC(=O)N(c1nc(/C=C(/C#N)C(=O)NC2CC2)cs1)C1CC1	114991171	TUGQVODYEFXJAT-POHAHGRESA-N	316.386	1.844	50	20	DDGD	
CCCCCOc1ccc(C(=O)NNC(=O)CN(C)C)cc1	113425128	PCFDDTXXODTIKY-UHFFFAOYSA-N	307.394	1.578	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	56370468	YUPMWLPALJOFOY-UHFFFAOYSA-N	321.340	1.871	50	20	DDGD	
O=C(Cc1cccc(O)c1)NNC(=O)Cc1c[nH]c2ccccc12	63536584	XIIZMFSVMGHXGO-UHFFFAOYSA-N	323.352	1.806	50	20	DDGD	
CNC(=O)NNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1	50610586	UDIUXHKIZSTJBG-UHFFFAOYSA-N	321.318	1.292	50	20	DDGD	
Cc1cc(NNC(=O)c2cnn(-c3ccc(F)cc3)n2)ncn1	172410114	WRERDIPHFDAWPC-UHFFFAOYSA-N	313.296	1.262	50	20	DDGD	
CN(C)Cc1cccc(C(=O)NNc2ncnc3nc[nH]c23)c1	173963612	XUKFRTCPTYNOLT-UHFFFAOYSA-N	311.349	1.171	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@H]2CCc3cc(F)ccc32)cn1	117962098	XKMGEWGLPYXYAP-ZDUSSCGKSA-N	317.324	1.191	50	20	DDGD	
CCC(CC)[C@@H](O)CNC(=O)NNC(=O)c1cccc(C#N)c1	111491391	UNWLZFDJBKMNKG-AWEZNQCLSA-N	318.377	1.299	50	20	DDGD	
CCC(CC)[C@H](O)CNC(=O)NNC(=O)c1cccc(C#N)c1	111491389	UNWLZFDJBKMNKG-CQSZACIVSA-N	318.377	1.299	50	20	DDGD	
CCNC(=O)NNC(=O)CCCCOc1cccc(C#N)c1	110664180	RBOCHOYMZXZQLW-UHFFFAOYSA-N	304.350	1.458	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCc2nnc(C(C)C)o2)s1	176653850	YQDCETNAVQLLSI-UHFFFAOYSA-N	322.390	1.957	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC(C)(C)C[C@H](C)O)s1	175913076	YSLANALUJOJIEG-VIFPVBQESA-N	313.423	1.798	50	20	DDGD	
Cc1nc(C(=O)NNc2ccc(C(F)(F)F)nn2)ccc1C#N	178872951	UGXVWICAIVDFKR-UHFFFAOYSA-N	322.250	1.827	50	20	DDGD	
O=C(COc1ccc(F)c(Cl)c1)NNC(=O)c1ccc[nH]1	119834103	YPOGJCFEUVORCA-UHFFFAOYSA-N	311.700	1.647	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNC(=O)c1c[nH]c2ccccc12)C(C)C	22248065	VJHBUVJWTJUPJA-CQSZACIVSA-N	316.361	1.090	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cccn2C)cc1	61527826	QGCDSYNGSCHITO-UHFFFAOYSA-N	301.346	1.428	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)c2cnc(C)cn2)c1	63345318	TWWJTFJCBWIHDJ-UHFFFAOYSA-N	319.365	1.864	50	20	DDGD	
Cc1ccccc1-n1cc(C(=O)NNC(=O)NCC2CC2)cn1	69697197	VRZDEQRHRQQJEL-UHFFFAOYSA-N	313.361	1.535	50	20	DDGD	
NC(=O)COc1ccccc1C(=O)NNc1ccc(F)cc1F	128956942	OCDAJPPTINOKPH-UHFFFAOYSA-N	321.283	1.586	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSCc1ccc(C#N)cc1	77220644	POVSCPRGPYYZKJ-UHFFFAOYSA-N	305.403	1.985	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CC(F)(F)F	122183514	AENARYZMCJFLKL-ZETCQYMHSA-N	308.231	1.693	50	20	DDGD	
O=C(C[C@@H]1CCCO1)NNc1nnc(-c2ccccn2)s1	188185047	ICEQZXGZKFISJU-VIFPVBQESA-N	305.363	1.612	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)COc1ccc(F)cc1F	78251777	WQUSHVHJSSVEMC-UHFFFAOYSA-N	309.272	1.143	50	20	DDGD	
CC(=O)NNC(=O)CSc1cccc(Br)c1	134224132	QGLHRQQWNXRDII-UHFFFAOYSA-N	303.181	1.709	50	20	DDGD	
CO[C@@H](C)CS(=O)(=O)NNC(=O)c1ccc(Cl)cc1F	193332789	BTKMGZBHDYGUDY-ZETCQYMHSA-N	324.761	1.078	50	20	DDGD	
CC[C@H](C)OCC(=O)NNc1nc2ccccc2c(=O)n1C	133872789	FECANKFIBZYVRR-JTQLQIEISA-N	304.350	1.192	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)Cc2ccncc2)CC1	81025482	XWZIBALLKUWOMS-UHFFFAOYSA-N	309.369	1.812	50	20	DDGD	
Cc1nc2ccccc2c(C)c1CC(=O)NNC(=O)C(C)(C)O	192919863	HQLZTVWZWDRLQT-UHFFFAOYSA-N	315.373	1.312	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C[C@@H]2CCCOC2)c1	194998402	JWSQTYBTLISCFN-AWEZNQCLSA-N	320.389	1.646	50	20	DDGD	
O=C(C[C@@H]1CCCOC1)NNc1nc(-c2ccncc2)no1	193069913	HQVIFWVMVMEFRY-JTQLQIEISA-N	303.322	1.391	50	20	DDGD	
O=C(NCCc1ccccc1OC(F)F)NNc1ncccn1	190250979	RFJOFTBNVQPUDM-UHFFFAOYSA-N	323.303	1.947	50	20	DDGD	
CC(=O)NNC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1	194491926	XQRVNNRPRXRTGX-UHFFFAOYSA-N	301.224	1.847	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	146446555	BAFNEYLLYJDQLU-AOOOYVTPSA-N	324.356	1.612	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CCC(C#N)CC2)cc(C#N)n1C	146943432	AEZVIECUBIVDPD-CHHVJCJISA-N	307.357	1.874	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cnn(C(C)C)c2C)n1	92488340	GYAQOPMCNBPOSW-UHFFFAOYSA-N	304.354	1.636	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)[C@H]1CCCN1C1CCCC1	269640519	GYSYNFZTCZPOHT-LLVKDONJSA-N	315.381	1.203	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)COCc2ccccc2)C[C@@H](C)O1	265668347	CSVPYZWAEGQPMA-BETUJISGSA-N	321.377	1.053	50	20	DDGD	
CCC[C@@H]1C[C@H]1NC(=O)NNC(=O)Cc1cn2ccccc2n1	267758903	QBTAZBHSOZCCFU-DGCLKSJQSA-N	315.377	1.396	50	20	DDGD	
Cc1onc(-c2ccccn2)c1C(=O)NNC(=O)C1CCC1	268793004	GZHXPYWGQLHQNS-UHFFFAOYSA-N	300.318	1.606	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNc2nc(-c3cccnc3)no2)O1	268137856	NEIKMPXUWNAVHY-WDEREUQCSA-N	303.322	1.532	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)C2CCC2)cnc1Cl	265333753	ZHGAIXHUZJVJQF-UHFFFAOYSA-N	303.771	1.153	50	20	DDGD	
CN(C)c1ccc(CNC(=O)NNC(=O)CC(C)(C)C)cn1	264022691	KBWNJYDBVHOFGT-UHFFFAOYSA-N	307.398	1.414	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@H](n2cncn2)C1	364476226	JIZLRWDNUMZWLK-COSNYCCFSA-N	311.320	1.798	50	20	DDGD	
O=C(O)CCC(=O)NNC(=O)CSc1ccc(Cl)cc1	269957524	RRGLSZWUXRFGOR-UHFFFAOYSA-N	316.766	1.444	50	20	DDGD	
O=Cc1cccc(OCC(=O)NNC(=O)NC2CCCCC2)c1	264917740	SZTSPTHUCSGTLC-UHFFFAOYSA-N	319.361	1.541	50	20	DDGD	
COC(=O)NNC(=O)[C@H](c1ccccc1)N1CCCCC1=O	274320171	XAZCTROJVXMHNP-ZDUSSCGKSA-N	305.334	1.127	50	20	DDGD	
COc1ccc(COCCCC(=O)NNC(=O)N(C)C)cc1	270445464	LHCBVDMKMSZFNC-UHFFFAOYSA-N	309.366	1.294	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1cc(C(C)C)on1	273500837	QAAQMPGURVKCPK-SECBINFHSA-N	314.342	1.002	50	20	DDGD	
COc1ccc(C(=O)N2CCCC2)cc1NC(=O)NNC(C)=O	273259365	XSFCEJMMAXMNAL-UHFFFAOYSA-N	320.349	1.104	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2C[C@H](OC(C)C)C2(C)C)n1	274558230	WBIDXCCOOSPQRJ-QWRGUYRKSA-N	323.397	1.703	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNC(=O)CC(C)(C)C)c1nncn1C	286903595	LWBAGCRSLAHBJV-LLVKDONJSA-N	310.402	1.279	50	20	DDGD	
CCOc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)C1CCC1	281004118	RMMRWQQQUAKJOM-UHFFFAOYSA-N	307.306	1.555	50	20	DDGD	
CC1=C(C(=O)NNc2cccc(Cl)c2)S(=O)(=O)CCO1	281223664	RQHGEIIFGOOXSX-UHFFFAOYSA-N	316.766	1.460	50	20	DDGD	
Cc1cc(Cl)ccc1C(=O)NNC(=O)N1CCN(C)CC1	287673263	BTVKJCNYAAWKAS-UHFFFAOYSA-N	310.785	1.250	50	20	DDGD	
C[S@@](=O)C1(CNC(=O)NNc2c(F)cccc2F)CC1	282020645	SEIBPEQMSFENPN-HXUWFJFHSA-N	303.334	1.502	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CCCCc1c[nH]nn1	281352776	VPZPGXOXHRVQIH-UHFFFAOYSA-N	316.365	1.679	50	20	DDGD	
O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCC(Cl)Cl	288204714	LBDBFDBQXXHIAK-UHFFFAOYSA-N	322.192	1.161	50	20	DDGD	
COc1cc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)on1	803429381	VKGMVMPIKGVEON-UHFFFAOYSA-N	300.274	1.282	50	20	DDGD	
CN(CC(=O)NNc1ccc(-n2ccnc2)nn1)c1ccccc1	804956326	JDRLGIKGDCPYPK-UHFFFAOYSA-N	323.360	1.242	50	20	DDGD	
Cn1nncc1CNC(=O)NNc1cc(F)c(F)cc1F	807612874	XWPJRHPICXIWEE-UHFFFAOYSA-N	300.244	1.059	50	20	DDGD	
O=C(CSc1nnc2ccccn12)NNc1ncccc1F	804213817	OFTPWMQBYABVQK-UHFFFAOYSA-N	318.337	1.499	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CC(O)(CCC(C)(C)C)C2)[nH]n1	294859585	GTRYKPKSKRYHAY-UHFFFAOYSA-N	322.409	1.447	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Nc2ccccc2)c(C(F)F)n1	801984855	MCSUMZIQCGHDOI-UHFFFAOYSA-N	309.276	1.824	50	20	DDGD	
C[C@H]1CSC[C@H]1NC(=O)NNC(=O)c1ccc(C#N)cc1	805027662	QBGRFGNHXGXDMF-JOYOIKCWSA-N	304.375	1.254	50	20	DDGD	
CO[C@H]1COC[C@@H]1NC(=O)NNc1c(F)cccc1Cl	291559612	WRRWPYBSMGSKFU-UWVGGRQHSA-N	303.721	1.519	50	20	DDGD	
Cc1cnc(COCC(=O)NNc2cccc([N+](=O)[O-])c2)o1	802823155	LWWPQYUEMOLCCF-UHFFFAOYSA-N	306.278	1.551	50	20	DDGD	
CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NNc1ccncn1	295575861	WAYBMCGJQJGAOZ-INJWIWPUSA-N	321.406	1.178	50	20	DDGD	
COc1nccc(NC(=O)NNC(=O)Cc2ccccc2F)n1	801725568	RTMOOVZKYZVPKQ-UHFFFAOYSA-N	319.296	1.020	50	20	DDGD	
Cc1ccc(-n2cnnc2)c(C(=O)NNc2ncncc2F)c1	817080032	RGJFUGXPJDWFJQ-UHFFFAOYSA-N	313.296	1.262	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1cnn2c1OCCC2	816114592	KFFNJYAGCFQLBM-UHFFFAOYSA-N	310.317	1.366	50	20	DDGD	
Cn1cncc1CNC(=O)NNC(=O)c1ccc(Cl)cc1	812487245	YTNDYUQGGXOHML-UHFFFAOYSA-N	307.741	1.218	50	20	DDGD	
O=C(NN=C1Cc2[nH]c3ccccc3c2C1)C(=O)N1CCCC1	814823895	AZSNQMQWIAKMGK-UHFFFAOYSA-N	310.357	1.361	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cc(Cl)ccn2)n1C	815983832	TZVUFTXIQDLZDY-UHFFFAOYSA-N	308.725	1.617	50	20	DDGD	
Cc1nc(C(=O)NNc2nnc(-c3ccccn3)s2)c(C)o1	816419354	NRAGADZBVIRGJR-UHFFFAOYSA-N	316.346	1.962	50	20	DDGD	
CCCCCC(C)=NNC(=O)CSc1nnc(O)nc1O	818269932	PYAFAQQSWRTIAE-UHFFFAOYSA-N	313.383	1.447	50	20	DDGD	
Cc1c(NNC(=O)c2nnc3ccccc3n2)cccc1[N+](=O)[O-]	810685945	FFSAVROEKMLRLT-UHFFFAOYSA-N	324.300	1.998	50	20	DDGD	
C[C@H]1Oc2ccccc2N(CCC(=O)NN(C)C2CC2)C1=O	819643833	QKQUKXRYGYRLNV-LLVKDONJSA-N	303.362	1.316	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)NC1CCCCC1)c1ccccc1	817514299	ZODHJMUFWKYUDP-INIZCTEOSA-N	305.378	1.557	50	20	DDGD	
CO[C@H]1CCC[C@H](C(=O)NNC(=O)Cc2ccccc2F)C1	814409420	IBGNWOXIYXTLDS-STQMWFEESA-N	308.353	1.721	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1ccc2c(c1)OC(F)(F)O2	819012005	FCYBPTQFBTVCHM-WEVVVXLNSA-N	316.285	1.764	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1ccc(Cl)cc1)c1ccccn1	813363449	XYESNZMBMGXNDK-LBPRGKRZSA-N	305.721	1.230	50	20	DDGD	
CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1cccc(Cl)c1	728436985	LDABVUGWWSDMKM-VIFPVBQESA-N	317.798	1.118	50	20	DDGD	
CN(C)C(=O)NNC(=O)C1(NC(=O)OC(C)(C)C)CCCC1	727151409	HXRFBNTVEDQQEJ-UHFFFAOYSA-N	314.386	1.126	50	20	DDGD	
COC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1C	490596067	FWAINACGDQRGDP-ZDUSSCGKSA-N	321.377	1.527	50	20	DDGD	
CCCCC[C@H](O)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	822222040	RBRQPZBHRQAZPK-ZDUSSCGKSA-N	321.377	1.022	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)CNC(=O)OC(C)(C)C)cn1	494726572	PUMQHVBRVGUDNX-UHFFFAOYSA-N	309.370	1.268	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2	494539175	LXXGECWXAHZOCO-GARJFASQSA-N	311.382	1.095	50	20	DDGD	
CC(=NNC(=O)c1ccc[nH]1)C1CN(C(=O)OC(C)(C)C)C1	492460488	XSACLEASKWWPNR-UHFFFAOYSA-N	306.366	1.987	50	20	DDGD	
CC(C)[C@@H](C(=O)NN(C)[C@@H](C)CO)N1Cc2ccccc2C1=O	823913595	XNAVSCGNXPZLNM-WFASDCNBSA-N	319.405	1.011	50	20	DDGD	
COc1cc(C)c(CN(C)S(=O)(=O)CCl)cc1OC	829774440	FRHZNYOPRNGCHN-UHFFFAOYSA-N	307.799	1.970	50	20	DDGD	
COC(=O)NCCNC(=O)NNc1cc(C(F)(F)F)ccn1	495925950	GAYGKNHUJLBHMB-UHFFFAOYSA-N	321.259	1.083	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)CN2CCOC2=O)cc1C	823068932	YJNYPKYIQVNQRZ-UHFFFAOYSA-N	321.333	1.067	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc2nc(O)n(C(C)C)c2c1	823893443	JLAXJBVQWVEQPT-UHFFFAOYSA-N	306.366	1.282	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CSc2nccs2)c1	728826857	YLHANSGMUUZXFI-UHFFFAOYSA-N	318.383	1.568	50	20	DDGD	
CC[C@@H](Cc1cccc(C)c1)C(=O)NNC(=O)c1ncccn1	823682468	IAHZGRTXXDUBPE-AWEZNQCLSA-N	312.373	1.815	50	20	DDGD	
Cc1ccc(-c2nc(C)c(C(=O)NN(C)[C@@H](C)CO)s2)o1	823971174	QBJGLCXOLFESGT-QMMMGPOBSA-N	309.391	1.977	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)CC(C)(C)C)cc1[N+](=O)[O-]	728606982	SDPLCERYGBOGGJ-UHFFFAOYSA-N	323.349	1.730	50	20	DDGD	
N#Cc1cccc(C(=O)NN=Cc2ccc(OCC(=O)O)cc2)c1	728784964	OEVQSQFKFARBGC-UHFFFAOYSA-N	323.308	1.786	50	20	DDGD	
CC(C)N(C)c1cccc(NCc2ccc(B(O)O)cc2F)c1	585015911	DJXDAOIEWCPWFS-UHFFFAOYSA-N	316.185	1.962	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1CCCN(C2CCCCC2)C1	585020962	CQKIHTNCTMSKBH-MRXNPFEDSA-N	316.254	1.253	50	20	DDGD	
CC(C)NC(=O)[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(F)cc1	490968520	BUUFORABILSXRZ-KAQJVSAMSA-N	303.337	1.762	50	20	DDGD	
O=C1CC[C@@H]2[C@H]1[C@@H]2C(=O)NNc1ccnc(Br)c1	907450534	WYSBAKGTLMOETG-AVPPRXQKSA-N	310.151	1.512	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1ccc(O)cc1Cl	905430280	SWQHOADZSZTUJV-UHFFFAOYSA-N	309.753	1.508	50	20	DDGD	
CN1C(=O)CC[C@H](NCc2ccc(OCCCCl)cc2)C1=O	822520767	OSKJWPDHCXLUAL-AWEZNQCLSA-N	324.808	1.931	50	20	DDGD	
COc1ccc(C(C)(C)CNCc2ccc(B(O)O)cc2)cc1	585022569	QYSMTNFYIUBHGR-UHFFFAOYSA-N	313.206	1.442	50	20	DDGD	
COC(=O)N(C)NC(=O)CCCNC(=O)c1ccc(F)cc1	495693774	SOVOUQHBDMKUER-UHFFFAOYSA-N	311.313	1.065	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)[C@@H]1C[C@@H]1C(N)=O	901168824	WXPKHIKTIMBCFH-DTWKUNHWSA-N	312.167	1.322	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCCC[C@H]1Cc1ccccc1	584936013	CAQMSDIYXUYYFF-SFHVURJKSA-N	323.201	1.604	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(C)ccc1C	730576306	OZCYKAYGBOOCCO-CYBMUJFWSA-N	308.403	1.578	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2ccc(N3CCCC3)cn2)cn1	491176031	NEYALEWWGUGYTN-ZSOIEALJSA-N	322.372	1.961	50	20	DDGD	
Cc1cc(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)c(C)[nH]1	737263311	SQIYYGFCDRQLLA-UHFFFAOYSA-N	309.333	1.576	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1nc2ccc(OC)cc2[nH]1	731904389	KBAVHUWWOZULFJ-MRVPVSSYSA-N	322.390	1.610	50	20	DDGD	
O=C1Nc2ccc(Cl)cc2C1=NNC(=O)[C@H]1CCCCO1	834989938	LNBMXELPGFFMJT-LLVKDONJSA-N	307.737	1.682	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H]1CCCC(F)(F)[C@@H]1O	491108713	YGXGFYKTFRUTSL-PMGKTQQESA-N	322.311	1.964	50	20	DDGD	
CCSCc1ccc(NC(=O)C(=O)NNC(=O)C2CC2)cc1	835225481	WDVKWOIBFSSVNH-UHFFFAOYSA-N	321.402	1.436	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H]1C(=O)O)c1ccc(Cl)cc1Cl	739454098	QBTCZGSRBROXOC-YUMQZZPRSA-N	317.128	1.475	50	20	DDGD	
O=C(NNc1cccnn1)[C@H]1CC(=O)N(C2CCCCC2)C1	736702338	OIZLNRFUFIBPRV-NSHDSACASA-N	303.366	1.101	50	20	DDGD	
COCCN(C)NC(=O)c1cccc(Nc2ncccn2)c1	837620799	AZXURIBNQCTKFU-UHFFFAOYSA-N	301.350	1.443	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc(CC#N)cc1	831151534	YDZQXTMSFILVFI-GWCFXTLKSA-N	302.334	1.330	50	20	DDGD	
CSSCCNC(=O)NC[C@@H]1CCCN1CCCO	838588826	VFPFDNMIMIWFBE-NSHDSACASA-N	307.485	1.144	50	20	DDGD	
C[C@H](CNC(=O)[C@@]1(C)C[C@@H]1Br)Cn1cccn1	906218848	OILYWKPBTRZBQF-SCVCMEIPSA-N	300.200	1.809	50	20	DDGD	
CCCn1cc(C(=O)NNc2cccc(C(=O)OC)c2F)cn1	837062067	YLNRDAMGTKMWCU-UHFFFAOYSA-N	320.324	1.976	50	20	DDGD	
Cc1ccc(S(N)(=O)=O)cc1C(=O)NCC(Cl)Cl	837651311	JQZCQUCDPBMMAK-UHFFFAOYSA-N	311.190	1.176	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@]1(C)CCCCO1	837310497	DFBVZGZUNMSUGC-MRXNPFEDSA-N	322.361	1.181	50	20	DDGD	
CCN1C[C@H](NC(=O)c2c(C)nn(CCCl)c2C)CC1=O	834297522	ZKVJLLBSBLWDNR-LLVKDONJSA-N	312.801	1.089	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H]2CCN2C2CCCCC2)c(F)c1	585048872	FTSOZHKVJRNEKS-INIZCTEOSA-N	320.217	1.002	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=C(C)CS(C)(=O)=O	732527661	DYOITEOMWJVWDY-UHFFFAOYSA-N	312.391	1.165	50	20	DDGD	
COCCCNC(=O)NN=Cc1cnc2ccc(Cl)cn12	737430035	IVNVEOLBJRBVMP-UHFFFAOYSA-N	309.757	1.657	50	20	DDGD	
O=C(/C=C/c1ccc(Br)cc1)N1CC[C@@H](B(O)O)C1	585074593	NLNXJOHKPREMGO-ZXCPCRMDSA-N	323.983	1.538	50	20	DDGD	
Cc1ccccc1O[C@H](C)CNCc1ccc(B(O)O)cc1F	585024831	DWRUBMDFIFGCBY-CYBMUJFWSA-N	317.169	1.371	50	20	DDGD	
O=S(=O)(CCl)NCc1cccc(CN2CCOCC2)c1	830061759	JVEKHMCQGWIBOY-UHFFFAOYSA-N	318.826	1.135	50	20	DDGD	
O=C(NNc1ccc(Br)c(F)c1)[C@H](O)C1CC1	832356271	GBPZWCKQMFPTSZ-SNVBAGLBSA-N	303.131	1.802	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1)c1ccc(Cl)cc1	833148951	BRPFCLXXZFFNFZ-GHMZBOCLSA-N	324.764	1.992	50	20	DDGD	
COc1ccc(COCCC(=O)NNC(=O)C2CCCC2)cc1	736000315	MFPYOHXDDYKMOR-UHFFFAOYSA-N	320.389	1.940	50	20	DDGD	
C[C@@H](COc1cccc(F)c1)NC(=O)NNC(=O)c1ccc[nH]1	919656115	KQUBSJGFORJWST-JTQLQIEISA-N	320.324	1.565	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@@H](C(=O)O)C1)NC1CCCCC1	833149351	NTKZEOCXYNQFFO-WDEREUQCSA-N	311.382	1.541	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(CC(=O)O)CC1CC1	846710905	GUCCFMRGXPPBST-UHFFFAOYSA-N	313.785	1.676	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cnc2c(cnn2CC(C)C)c1	748231686	GLPCMZUXDWUQLC-UHFFFAOYSA-N	318.381	1.441	50	20	DDGD	
COC(=O)C12CC(C(=O)NNc3ccc(F)c([N+](=O)[O-])c3)(C1)C2	844138254	FPBBJFSFYLVHIX-UHFFFAOYSA-N	323.280	1.520	50	20	DDGD	
CO[C@H]1CCCCC1=NNC(=O)COc1ccc(C#N)cc1	915943349	AKBVHHIVUXFGHF-HNNXBMFYSA-N	301.346	1.998	50	20	DDGD	
CC(C)C(=O)NN=Cc1c(N2CCOCC2)nc2ccccn12	741812234	OMOPVPSANOLNMG-UHFFFAOYSA-N	315.377	1.277	50	20	DDGD	
O=C(NNC(=O)c1cccc2nc(O)[nH]c12)NC1CCCC1	847401151	FUWPCZGIBZBVOX-UHFFFAOYSA-N	303.322	1.155	50	20	DDGD	
C[C@H](N)CNC(=O)NNC(=O)c1cc2c(s1)CCCCC2	841986196	SMOCGCURLAESKI-VIFPVBQESA-N	310.423	1.308	50	20	DDGD	
Cc1c[nH]cc1C(=O)NNC(=O)c1ccc2c(c1)OCCO2	916737676	ZTRIRUOHDWTSPV-UHFFFAOYSA-N	301.302	1.169	50	20	DDGD	
CS(=O)(=O)c1ccc(C=NNC(=O)NCC(F)(F)F)cc1	918152773	PWDKJPBDPVYCFL-UHFFFAOYSA-N	323.296	1.286	50	20	DDGD	
CCC[C@](C)(O)C(=O)Nc1cccc(NC(=O)NN(C)C)c1	843870591	KHTSXMORNJIFMT-HNNXBMFYSA-N	308.382	1.774	50	20	DDGD	
CS(=O)(=O)C1CN(Cc2ccc(OCCCCl)cc2)C1	841887404	MQUKGLPBQSAGSB-UHFFFAOYSA-N	317.838	1.923	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)[C@H](C)CN1CCCCC1	749759350	SBXZTDJFJVSBNW-NEPJUHHUSA-N	300.472	1.402	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@@H]2C[C@@H](C)O[C@H]2C)n1	840431668	CNDKEUGMYRDUGB-VWYCJHECSA-N	309.370	1.233	50	20	DDGD	
CN(CC(=O)NNC(=O)C(C)(C)C)Cc1ccc(C#N)cc1	744387548	UTQASKYCWJKTIY-UHFFFAOYSA-N	302.378	1.184	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@@H](C)n2ccnc2)c1F	846248426	FJJQSSJDCGWCJY-SNVBAGLBSA-N	320.324	1.903	50	20	DDGD	
Cc1nonc1CC(=O)NNC(=O)C(C)(C)c1ccccc1	845467486	HNWWCAMBXJQMMK-UHFFFAOYSA-N	302.334	1.046	50	20	DDGD	
CCOc1ccc(C(=O)NN=C[C@]2(OC)CCOC2)cc1OC	841612896	RUZRXODXKYBIQE-MRXNPFEDSA-N	322.361	1.615	50	20	DDGD	
CCC(=NNC(=O)c1ccc2c(c1)OCCO2)c1cnn(C)c1	741806885	SHZXROAWWYQSDW-UHFFFAOYSA-N	314.345	1.735	50	20	DDGD	
CCc1ccc(CC(=O)NNC(=O)NCC(F)(F)F)nc1	847115769	LRBOYBYZSYFZBC-UHFFFAOYSA-N	304.272	1.079	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C(C)(C)C)c(-c2cccnc2)n1	743862663	SKJHEUKZCFIBPU-UHFFFAOYSA-N	301.350	1.289	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCCC(=O)OC(C)(C)C	745934652	VBNHZYNICWHIAR-UHFFFAOYSA-N	315.414	1.875	50	20	DDGD	
CN1CCC(NC(=S)NNC(=O)CCc2ccccc2)CC1	749768898	SFFXSGUVIJSVTG-UHFFFAOYSA-N	320.462	1.209	50	20	DDGD	
COC[C@](C)(O)C(=O)NNc1cc(F)ccc1Br	840532374	QQYAMOXGSJQXKE-NSHDSACASA-N	321.146	1.429	50	20	DDGD	
CO[C@@H]1[C@H]2C[C@@H]3CN(S(=O)(=O)CC(C)(C)CCl)[C@H]1[C@H]3C2	867260481	YBCPJEZBOVCACK-FPYNETTCSA-N	321.870	1.936	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=C1CCC(=O)Nc2ccccc21	842560395	GKCORNNZORHIMJ-MNOVXSKESA-N	301.346	1.664	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2[C@@H]3CCCO[C@@H]3C2(C)C)n1	743430067	DVTQQCUKFNEXEG-WFASDCNBSA-N	304.394	1.807	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)Cc2c[nH]c3ccccc23)[nH]1	747627070	AUNMTMMWLVOODV-UHFFFAOYSA-N	324.340	1.975	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1cccc(NC(C)=O)c1	920833036	CUIFZGDPPATBJF-UHFFFAOYSA-N	306.366	1.705	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(C(=O)OCC)cc1	929663977	OWQVRSRLZOXRQM-UHFFFAOYSA-N	317.345	1.820	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2ccc([N+](=O)[O-])cc2F)CCO1	853946555	LIGJSEJHNIIHEU-IUCAKERBSA-N	312.301	1.928	50	20	DDGD	
CC1CCN(C[C@@H](C)NC(=O)/C(C#N)=C\c2cnn(C)c2)CC1	855899905	XFQGDEBVPONUGZ-MEFZMRIGSA-N	315.421	1.564	50	20	DDGD	
COCCCNC(=O)NN=C1C[C@H](C)N(Cc2ccccc2)C1	757574565	GDVPTRPCKPJOOE-AWEZNQCLSA-N	318.421	1.973	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNC(=O)c2cccc(F)n2)cn1	856421610	CQYZKSKXJOLHLN-UHFFFAOYSA-N	305.313	1.247	50	20	DDGD	
CCc1cnc(NC(=O)C(=O)NNc2cccc(OC)n2)s1	756154686	WBXUEOLCOYPXPV-UHFFFAOYSA-N	321.362	1.191	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@H]1CSCCS1)C1CC1	855099345	WSVGPDDEBSCKNH-VXNVDRBHSA-N	305.494	1.129	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)CN1CCCC1=O)c1ccc(F)cc1	920432702	HBSVUDDKVXNMRL-LLVKDONJSA-N	321.352	1.089	50	20	DDGD	
CC/C(=C/C(=O)NN(C)C(=S)NC)c1ccc(OC)cc1	854922791	HSUKWLHYYFGGLI-KHPPLWFESA-N	307.419	1.956	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2CCCCN2C)ccc1C	857267838	QSLFPXAMLAFYTQ-AWEZNQCLSA-N	305.378	1.709	50	20	DDGD	
CCn1nccc1C=NNC(=O)[C@@H]1COc2ccccc2O1	753692325	HYCODCOSUFNFHV-AWEZNQCLSA-N	300.318	1.193	50	20	DDGD	
C[C@@]1(CNC(=O)CCCn2cncn2)C[C@@H]1Br	857401507	ZFBZLMAPJATSJN-ONGXEEELSA-N	301.188	1.348	50	20	DDGD	
C[C@]1(CNS(=O)(=O)c2ccccc2O)C[C@H]1Br	856753911	ZVZYGPDHUHMPSA-GHMZBOCLSA-N	320.208	1.844	50	20	DDGD	
CCCCN(CCO)C(=O)NC[C@@]1(C)C[C@@H]1Br	856950556	CXLGPPQJVMYZAO-CMPLNLGQSA-N	307.232	1.964	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)C1CC(F)(F)C1	753634467	ZRVKLVDRWGBMSF-UHFFFAOYSA-N	308.288	1.070	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	858135846	FGOYLRGLFKDFRW-AWEZNQCLSA-N	324.377	1.670	50	20	DDGD	
C[C@]1(CNC(=O)C[C@H]2CCS(=O)(=O)C2)C[C@H]1Br	857402285	JDTNUPXEKQUEOS-FXPVBKGRSA-N	324.240	1.101	50	20	DDGD	
COC1(C(=O)NNC(=O)CNc2ccc(C)cc2C)CCCC1	754174190	NFBOMQRJIVVTKN-UHFFFAOYSA-N	319.405	1.822	50	20	DDGD	
COC(=O)C(C)(C)CNC(=O)NC[C@@]1(C)C[C@@H]1Br	856842455	MAPLENGDFXXFLN-QPUJVOFHSA-N	321.215	1.658	50	20	DDGD	
O=C(NNC(=O)N1CCOC[C@H]1c1ccco1)C1CCCC1	753343966	LRBUOMNVPTYEHM-LBPRGKRZSA-N	307.350	1.584	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2c(O)nnc(C)c2C)c1	759310628	DFTASRCQWVDBLS-UHFFFAOYSA-N	306.297	1.704	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)/C=C\c1cncc(O)c1)C1CC1	855099265	VTLPONSCFRUTSX-JHYPKJRRSA-N	306.391	1.094	50	20	DDGD	
COC(=O)CNC(=O)NN=C[C@@H]1CCC[C@@H](C(F)(F)F)C1	853330977	ARINLIRXUPSRCH-RKDXNWHRSA-N	309.288	1.813	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1conc1C(F)(F)F)C1CC1	855096751	DDZOORDEVDJUKR-YFKPBYRVSA-N	322.312	1.601	50	20	DDGD	
N#Cc1ccc(F)c(C(=O)NNC(=O)NC2CCCCC2)c1	854192772	VAPXYADRGVBPFD-UHFFFAOYSA-N	304.325	1.974	50	20	DDGD	
CCC(=NNC(=O)CNc1ccc(OC)cc1)c1ccn(C)n1	758075191	ZMCZANYKHGQFQK-UHFFFAOYSA-N	315.377	1.771	50	20	DDGD	
C[C@@H](NNC(=O)c1cnc2c(c1)NC(=O)CS2)C(F)(F)F	862315765	FINWVDXXZAJUSS-RXMQYKEDSA-N	320.296	1.311	50	20	DDGD	
CC(C)[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1cn[nH]c1	862471900	QEAWQFCVUOKLJL-CQSZACIVSA-N	300.362	1.686	50	20	DDGD	
CCOc1cccc(CCC(=O)NNC(=O)c2cc[nH]n2)c1	862168104	MIKYACPKTVHKHZ-UHFFFAOYSA-N	302.334	1.202	50	20	DDGD	
COCC(=O)N(C)CC(=O)NNc1cccc(F)c1Cl	862506997	QPGRTELIERJPRU-UHFFFAOYSA-N	303.721	1.027	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2ccc(Cl)c(Cl)c2)N1	863145456	CPFHYRONXASICD-JTQLQIEISA-N	300.145	1.722	50	20	DDGD	
OB(O)c1ccccc1CNc1cc2c(cc1Cl)OCO2	864030330	JGBFYBCVUMVBSA-UHFFFAOYSA-N	305.526	1.361	50	20	DDGD	
C[C@@H](NNC(=O)c1cc(F)c(F)c(O)c1F)C(F)(F)F	862316339	NRZJZQPVGLWOGN-GSVOUGTGSA-N	302.174	1.995	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)COC1CCOCC1	862286855	CQZUMHGNYYJEIJ-UHFFFAOYSA-N	322.361	1.482	50	20	DDGD	
COc1ccc(NNC(=O)/C=C\c2cnn(C)c2)c([N+](=O)[O-])c1	768582766	WVXBDUHOYHDQKV-UTCJRWHESA-N	317.305	1.493	50	20	DDGD	
CN(CC(=O)NNc1ccc(Cl)nc1)[C@H]1CCSC1	764465872	MUIZEAJYRIWCJU-JTQLQIEISA-N	300.815	1.615	50	20	DDGD	
Cn1cc(Cl)c(C(=O)NNCC(F)(F)C(F)(F)F)n1	863103064	JGBDYOUJWRXILN-UHFFFAOYSA-N	306.622	1.506	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(C)c(N2CCOCC2)c1	868242234	GTGGGYYQNNLYSE-UHFFFAOYSA-N	307.394	1.055	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc(CNC(N)=O)cc1)C(F)(F)F	862305714	UEBKVXRPUZLNPK-SSDOTTSWSA-N	304.272	1.040	50	20	DDGD	
C[C@H](c1ccccc1F)[C@H](O)C(=O)NNC(=O)OC(C)(C)C	864428882	JZMLGHVPNWUVPY-SKDRFNHKSA-N	312.341	1.846	50	20	DDGD	
Cc1cc(C=NNC(=O)CNC(=O)c2ccco2)cnc1Cl	760247678	DWOKTEZUQQGSBE-UHFFFAOYSA-N	320.736	1.517	50	20	DDGD	
COC(=O)c1coc(CNS(=O)(=O)CC(C)(C)CCl)n1	867463546	OFUKMCAGFLMTIS-UHFFFAOYSA-N	324.786	1.146	50	20	DDGD	
C[C@@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)c1ccccc1O	760192250	IAOZPMUARZDLCK-QWRGUYRKSA-N	307.350	1.151	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)NCc1cccnc1	764494882	JSDZHVOLGBUOOB-UHFFFAOYSA-N	320.374	1.311	50	20	DDGD	
Cc1c(CC(=O)NNC(=S)NC(C)C)cccc1[N+](=O)[O-]	1116342520	PPYAQGFUASXGMS-UHFFFAOYSA-N	310.379	1.349	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc(OC2CCCC2)nc1	1116522534	PADKSLRTOUOSEH-UHFFFAOYSA-N	322.434	1.920	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2cnn(-c3ccc(F)cc3)c2)n[nH]1	764798000	YBJPAJGUABVQTL-UHFFFAOYSA-N	312.308	1.807	50	20	DDGD	
O=C(NN=Cc1csc(Cl)c1Cl)C(=O)NC1CC1	761785620	JKHNWIJKCGCAMT-UHFFFAOYSA-N	306.174	1.784	50	20	DDGD	
C[C@@H]1CC(NC(=O)NNC(=O)c2ccccc2O)C[C@@H](C)O1	768123108	XUOUUXOJYDSINM-NXEZZACHSA-N	307.350	1.292	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)c(C)c1	760203403	LHYOVQOOOHGAEB-QWHCGFSZSA-N	320.393	1.271	50	20	DDGD	
COc1cc(-n2cccc2)c(Cl)cc1C(=O)NN(C)C(N)=O	778416595	FAPVIKUGQURBSX-UHFFFAOYSA-N	322.752	1.795	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)Cc1ccccc1Cl)c1ccccc1	771848045	WFHNSVUNHXJNJU-AWEZNQCLSA-N	318.760	1.705	50	20	DDGD	
Cc1nccc(NC(=O)NNC(=O)CCc2ccccc2O)n1	776493597	PMQNMJDMRJFZII-UHFFFAOYSA-N	315.333	1.276	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1nc(C2CC2)cs1	1118185443	CMPOTTYLUBKVLV-SCZZXKLOSA-N	324.406	1.276	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CSc1nncs1	772840156	GNACUPXHZOKZCA-UHFFFAOYSA-N	310.408	1.687	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1cc2c([nH]1)CCCC2	872336649	JDVFGLSRRKKFIZ-CYBMUJFWSA-N	318.421	1.312	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)c1ccccc1C)[C@H]1CCCO1	773135516	NHKPCYYGNCYBFW-ZIAGYGMSSA-N	301.346	1.120	50	20	DDGD	
C#CC[C@@H](CCOC)NC(=O)NNc1cccc(C(=O)OC)c1	875916163	CHMGBJMAPLTBRX-ZDUSSCGKSA-N	319.361	1.528	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21	875402222	PAGXBEGOCZBJLP-MELADBBJSA-N	311.345	1.082	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)c1ccc(CC)cc1	772086111	AQXPFUVZJIROPS-NWDGAFQWSA-N	320.389	1.842	50	20	DDGD	
CC(C[C@H](C)CC(C)C)=NNC(=O)[C@@H](C)NS(C)(=O)=O	779774660	ZFSGDZODVZCBMP-ZYHUDNBSSA-N	305.444	1.489	50	20	DDGD	
CNC(=O)NNC(=O)c1csc(Cc2cccc(F)c2)n1	779886983	FCZUQEPBOZHWPJ-UHFFFAOYSA-N	308.338	1.447	50	20	DDGD	
CN1C(=O)COc2cccc(NC(=O)NNC(=O)C(C)(C)C)c21	881263490	MXUCDJGITSYPLC-UHFFFAOYSA-N	320.349	1.241	50	20	DDGD	
CS[C@H](C)CCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	774076649	JSTRJNNQCDIABI-MNOVXSKESA-N	308.469	1.010	50	20	DDGD	
COC(=O)CNC(=O)NN=C/C=C\c1ccccc1[N+](=O)[O-]	779821200	PWFXYAFUTLKBJN-AYPVVACKSA-N	306.278	1.066	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc(-c2ccccc2)o1	779823418	QHRUVEGFXISIIM-UHFFFAOYSA-N	301.302	1.753	50	20	DDGD	
CCn1[nH]c(C)nc1=NC(=O)NC[C@]1(C)C[C@@H]1Br	888547966	XMBCRNCPOGQIIA-KWQFWETISA-N	316.203	1.323	50	20	DDGD	
COc1ccc(OCC(=O)NN=C(C)c2nccnc2C)cc1	783511518	HBPDQTZLOWJEAK-UHFFFAOYSA-N	314.345	1.713	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@H](C)C(=O)c1ccccc1	887144264	HKVMNORPJPSBKQ-ZDUSSCGKSA-N	300.358	1.846	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)[C@H]1CCc2nnnn2CC1	885127868	GJNYAUMOHZFZTE-JTQLQIEISA-N	320.784	1.731	50	20	DDGD	
CC(C)c1ccc(NNC(=O)N[C@H](C)c2nnnn2C)cc1	1123741574	AMPNRKCEJMVTSL-SNVBAGLBSA-N	303.370	1.721	50	20	DDGD	
COc1cccc(NNC(=O)c2c[nH]nc2-c2ccncc2)n1	780771964	LUHALXFPCXOLDF-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc3nc(O)oc3c2)n1	780771938	KJDCPQKWHYKVFC-UHFFFAOYSA-N	300.274	1.694	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](c1ccccc1)n1cccn1	780705914	INNUTWSATDOVQI-CYBMUJFWSA-N	301.350	1.165	50	20	DDGD	
CN(NC(=O)C(=O)N1CCc2c(F)cccc21)c1ccccc1	783431567	GKMYYILGAUJJED-UHFFFAOYSA-N	313.332	1.882	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1cccc2cccnc12	782479143	YWQIBGSNNSJYRN-UHFFFAOYSA-N	308.363	1.089	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCCC(=O)c1ccc(OC)cc1	781063818	NAPSQFPNSAZXSN-UHFFFAOYSA-N	321.377	1.741	50	20	DDGD	
CS(=O)(=O)CC1(COC(=O)/C(C#N)=C\c2ccccc2)CC1	785344565	KWTIWZAEUNOYOT-ZROIWOOFSA-N	319.382	1.962	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)[C@@H]1CCCCS1	783046247	KOPLHOGQHTZKDR-NSHDSACASA-N	313.448	1.907	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C1=NO[C@H](c2ccccc2)C1	899992161	PERHTOVQJINZEY-LBPRGKRZSA-N	320.418	1.798	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(NC(=O)OC)cc1	785837889	HVBJSABFFHEDMW-UHFFFAOYSA-N	309.326	1.563	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCOC3(CCC3)C2)c(O)c1	895792484	KGOHXMVPHUYJMS-LBPRGKRZSA-N	318.373	1.811	50	20	DDGD	
C[C@H](C(=O)NNC(=S)NC(C)(C)C)N1CCCCCC1	899994863	CDCCTIPMRAITBL-LLVKDONJSA-N	300.472	1.545	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc3nc(C)n(C)c3c2)n1	794077671	YRNXVVBESLXXAC-UHFFFAOYSA-N	323.356	1.660	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2nnc3ccccc3c2O)n1	794080772	YBUFOHHSSYVTJE-UHFFFAOYSA-N	323.312	1.114	50	20	DDGD	
Cc1ccc(F)cc1C(=O)C(=O)NNc1nc2ccccn2n1	791244542	KWEJFMZXDFRNNL-UHFFFAOYSA-N	313.292	1.503	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NNc1ccc(Cl)c(OC)c1	790187744	SNNIOBMHMXQKNM-SNVBAGLBSA-N	314.773	1.629	50	20	DDGD	
CC[C@@H]1CC[C@@H](C)CC1=NNC(=O)[C@@H](C)NS(C)(=O)=O	797402844	QGTMEZXYRYVKGI-GMTAPVOTSA-N	303.428	1.243	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1ccc2nc[nH]c2n1	798311148	HCDUCHLWMILVFI-UHFFFAOYSA-N	310.317	1.733	50	20	DDGD	
NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(CCCl)cc1	36900577	CWHOQBRPWPSPFO-GFCCVEGCSA-N	316.810	1.106	50	20	DDGD	
COc1c(C(=O)NNc2nccnc2Cl)cccc1[N+](=O)[O-]	795103176	JFAGOJJHZGKVHQ-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCCNc3ccccc32)CC1	790174483	QJFYAYCHFLEXIA-UHFFFAOYSA-N	301.394	1.553	50	20	DDGD	
COC(=O)[C@H]1CC[C@H](C(=O)NNc2nc(C)cc(C)n2)CC1	797807578	AZHSDFFKPUKLNL-HAQNSBGRSA-N	306.366	1.516	50	20	DDGD	
Cc1ncncc1C(=O)NNc1ccc(Br)nc1	1318448885	UXUOUYXXKUREIA-UHFFFAOYSA-N	308.139	1.699	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cc(CN(C)C)on2)c1	1320255097	RCSNYQGNGNDAAH-UHFFFAOYSA-N	318.333	1.280	50	20	DDGD	
NCCCCNC(=O)NNc1cccc(Br)n1	1327486188	KBYSKHPGPJOYKI-UHFFFAOYSA-N	302.176	1.209	50	20	DDGD	
COC(=O)N(C)NC(=O)NC1CCN(c2cccc(F)c2)CC1	1332700525	LACJUJMLKIKMKX-UHFFFAOYSA-N	324.356	1.707	50	20	DDGD	
COCC(=O)NCCC(=O)NNc1cccc(F)c1Cl	1331691902	QZMWLFPLNOFPIX-UHFFFAOYSA-N	303.721	1.075	50	20	DDGD	
CC(=O)c1ccc(N(C)CC(=O)NNC(=O)C(C)(C)C)cc1	1262020239	SXDOEBJTBSGLAC-UHFFFAOYSA-N	305.378	1.519	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)NC/C=C/C2CC2)c1	1261296122	RGEGWLPURVOCNH-ONEGZZNKSA-N	319.361	1.614	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)[C@@H]1CCCCO1)c1ccc(F)cc1	1348090856	AVPWZUSTPWAFFP-MFKMUULPSA-N	309.341	1.786	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)CCc1nccn1C	1347544753	RCBCHXVDAGKZGQ-UHFFFAOYSA-N	320.324	1.422	50	20	DDGD	
CC(=NNC(=O)CCO)c1ccc(N2CCCOC2=O)cc1	1347634925	YPRFIQCUCVROAV-UHFFFAOYSA-N	305.334	1.256	50	20	DDGD	
O=C(NCCSSCCNC(=O)[C@H]1C[C@@H]1F)[C@@H]1C[C@@H]1F	1350100809	OQHUREVJQBZBHO-JXUBOQSCSA-N	324.418	1.316	50	20	DDGD	
Cc1cc(NNC(=O)CSCc2cccs2)nc(N)n1	1352972724	UPKBZBDNHKXNJX-UHFFFAOYSA-N	309.420	1.805	50	20	DDGD	
Cc1c(NNC(=O)NCCn2cccn2)cccc1C(=O)O	1600053837	VYJTYKFSWZAYPD-UHFFFAOYSA-N	303.322	1.216	50	20	DDGD	
Cc1c(CC(=O)NNc2ccc(C(=O)O)c(F)c2)cnn1C	1600010901	IDSPPOWNZFJEDY-UHFFFAOYSA-N	306.297	1.252	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)c(F)c1)c1cc2cccn2cn1	1608481541	PEVUXPOHMVIQOB-UHFFFAOYSA-N	314.276	1.929	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc(C(=O)O)nc2)n1	1600705836	XJSFTIPVZTUSMA-UHFFFAOYSA-N	307.697	1.289	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1c(C)nn(CCC(=O)O)c1C	1605617872	BSTPSEFYYKCFPZ-FLIBITNWSA-N	306.322	1.357	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H]1CC=C(C(=O)O)C1	1600788403	MIJOJOCXWHNYDF-LLVKDONJSA-N	311.769	1.642	50	20	DDGD	
O=C(O)c1ccoc1C(=O)OCCCI	1602485266	GKHWGQPBAKXVIN-UHFFFAOYSA-N	324.070	1.960	50	20	DDGD	
O=C(C[C@@H]1CC[C@H](C2CC2)O1)NNc1ccc(C(=O)O)cn1	1601252078	QLEGCSMENODGPE-NWDGAFQWSA-N	305.334	1.571	50	20	DDGD	
COCCCOCC(=O)NNc1ccc(F)c(C(=O)O)c1	1610257270	IOEOZIKDFXXTBL-UHFFFAOYSA-N	300.286	1.020	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@H]1CCCC[C@H]1C(=O)O	1607878323	PLGTXBODXKTWQW-UONOGXRCSA-N	318.373	1.576	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C\c1ccc(-c2nn[nH]n2)c(OC)c1	1602863772	PJVSXQVVAHVGRF-XFFZJAGNSA-N	310.317	1.084	50	20	DDGD	
CC(=NNC(=O)c1ccncc1)c1ccc(-c2nn[nH]n2)cc1	1609061050	YVGPOHHUZDCKCG-UHFFFAOYSA-N	307.317	1.416	50	20	DDGD	
O=C(NN=Cc1sccc1Cl)[C@H]1CN2CCC[C@H]2CO1	1549320115	KQILGCJKWXTRAT-GXSJLCMTSA-N	313.810	1.715	50	20	DDGD	
C=CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](Cl)COC)C2	1802316037	HICFWILVWKUPGL-YVECIDJPSA-N	314.813	1.455	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2cccn2[C@H](C)C(=O)O)cs1	1610555178	PDRMOSXIBWYWCL-SECBINFHSA-N	320.374	1.591	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCOC1)[C@@H](F)Cl	1803231452	PEGWNZVRZWOVIJ-RMPHRYRLSA-N	318.776	1.196	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=C[C@@H]1CCCO[C@H]1c1ccnn1C	1552763074	PKQWDKWMQWWPHU-DDHJSBNISA-N	320.393	1.415	50	20	DDGD	
C=CCCC[C@@H](N)C(=O)NNc1nc(O)c2ccccc2n1	1574908369	LCZFOBZYVFMYKA-LLVKDONJSA-N	301.350	1.462	50	20	DDGD	
NCCCCCC(=O)NNC(=O)c1cnc2ccc(F)cc2c1	1580292580	DMVLOFSOHMGCHH-UHFFFAOYSA-N	318.352	1.654	50	20	DDGD	
CC(C)(C)C[C@@H](O)CC(=O)NNc1cccc(-c2nn[nH]n2)c1	1589118858	NCTSWGZVOKVSSE-LBPRGKRZSA-N	318.381	1.497	50	20	DDGD	
C[C@@H](NNC(=O)C1(C(=O)O)CCSCC1)C(F)(F)F	1589131680	AIKWHNMHDYECHM-ZCFIWIBFSA-N	300.302	1.156	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1)c1cn([C@H]2CCCNC2)nn1	1580737750	XQLAMZFXWNZAAK-LBPRGKRZSA-N	320.784	1.613	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)c1ccc[nH]1	1593162400	VGIGJNABFCTALT-UHFFFAOYSA-N	303.713	1.605	50	20	DDGD	
C[C@H]1CCn2cc(C(=O)NNc3cccc(C(=O)O)c3)nc2C1	1594451986	JTSMUCJLCNNIAL-JTQLQIEISA-N	314.345	1.921	50	20	DDGD	
Cc1cccc(NC(=O)NNc2ccc(-c3nn[nH]n3)cn2)n1	1592235868	UVNXJALYZZZVCT-UHFFFAOYSA-N	311.309	1.114	50	20	DDGD	
O=C(CCC1CCCCC1)NNC(=O)c1cnc(C(=O)O)cn1	1594679841	RBGJCGUNBIUTEQ-UHFFFAOYSA-N	320.349	1.296	50	20	DDGD	
CC[C@@H](C(=O)O)C(=O)NNc1cc(Cl)nc2ncccc12	1594755743	QFURTDMLEVVARI-SSDOTTSWSA-N	308.725	1.837	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C/c1ccc(-c2nn[nH]n2)cc1F	1590649259	QLNUSMDEZVTAGH-IZZDOVSWSA-N	321.337	1.695	50	20	DDGD	
COc1cc(C=NNC(=O)NCc2ccco2)ccc1C(=O)O	1776039035	FWYMBXYDZHEDID-UHFFFAOYSA-N	317.301	1.820	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl)C1CCC1	1796803671	DJLMUOBYVYOKDB-USZNOCQGSA-N	302.777	1.959	50	20	DDGD	
O=C(COc1ccccc1)NNC(=O)COc1ccccc1F	5273029	DLHZJSQDWCWVOF-UHFFFAOYSA-N	318.304	1.431	50	20	DDGD	
Cn1c(NNC(=O)CCCCCCN)nc2ccccc2c1=O	150743551	XUEOAUGDXKMJCZ-UHFFFAOYSA-N	317.393	1.286	50	20	DDGD	
N#Cc1cccc(NNC(=O)CCC(=O)NC2CCCC2)c1	161066767	FYOVNSOKDZCRFL-UHFFFAOYSA-N	300.362	1.840	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@@H](c1cccc(OC)c1)N(C)C	158668069	CJQUXHPHGNTUKG-HECSCLNYSA-N	317.389	1.858	50	20	DDGD	
COc1ccc(C(F)(F)C(=O)NNC(=O)c2cccn2C)cc1	160226495	NOPFFXAYNNYQGB-UHFFFAOYSA-N	323.299	1.587	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc(N(C)C)c(Cl)c1	156023824	VOEJRTQJNZZYPB-UHFFFAOYSA-N	313.789	1.120	50	20	DDGD	
N#Cc1ccc(NNC(=O)CCNC(=O)c2cccs2)cc1	155570949	ICEMERVTVSBBQG-UHFFFAOYSA-N	314.370	1.883	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNc2ncnc3nc[nH]c23)c1	156313410	GWHWQRSQQKLCND-UHFFFAOYSA-N	312.333	1.492	50	20	DDGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CCC[C@H](CO)C1	36900490	YBJODXNFRFUKLA-ZDUSSCGKSA-N	317.838	1.861	50	20	DDGD	
NS(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(CCl)c2)C1	707512976	ZSCIAHFWFLFNMA-LBPRGKRZSA-N	316.810	1.319	50	20	DDGD	
CC(C)CNC(=O)[C@@H](C)N(C)NC(=O)OCc1ccccc1	859389073	AJKXRFFRQQODIM-CYBMUJFWSA-N	307.394	1.920	50	20	DDGD	
COc1cc(OC)c(OC)cc1CNS(=O)(=O)CCl	104344445	DIZRQRABWOSYJC-UHFFFAOYSA-N	309.771	1.328	50	20	DDGD	
Cc1cccc(OCCNC(=O)NNc2ccc(C)nn2)c1	106253699	JYOHAPQQRILAAG-UHFFFAOYSA-N	301.350	1.799	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@@H](c1cccc(OC)c1)N(C)C	178950012	CJQUXHPHGNTUKG-GRNBYLDVSA-N	317.389	1.858	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccc2[nH]ccc2c1	107785691	UGKJLMLOUMILOQ-UHFFFAOYSA-N	300.240	1.674	50	20	DDGD	
C[C@H]1C[C@@H](c2ccccc2)CN1CC(=O)NNC(=O)C1CC1	115555751	AOOAGXVUTFQDKK-SWLSCSKDSA-N	301.390	1.422	50	20	DDGD	
C[C@H](NC(=O)NNc1ccccn1)C(=O)N1CCCC[C@@H]1C	102455814	XDTPKHYIJXMXST-RYUDHWBXSA-N	305.382	1.497	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(Cl)cc2O)n1	175389670	MCBNEDIFBAMTGY-UHFFFAOYSA-N	308.725	1.910	50	20	DDGD	
Cc1nn(C)c(C)c1OCC(=O)NNc1cccc([N+](=O)[O-])c1	178831442	IXGOKFCBZMKKPH-UHFFFAOYSA-N	319.321	1.467	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccccc2CC)C1	23241724	PNRHILCYHWOHOT-GFCCVEGCSA-N	319.361	1.379	50	20	DDGD	
Cc1ccccc1-n1nc(C(=O)NNC(=O)C2CC2)c2c1CCC2	65529856	BWIIQVFTSHAYSK-UHFFFAOYSA-N	324.384	1.840	50	20	DDGD	
O=C(Cc1csc(-c2cccnc2)n1)NNc1cnccn1	114880657	CPLQGRQFJDQPEB-UHFFFAOYSA-N	312.358	1.681	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	68242792	YMTUQAJSTMYXDS-CYBMUJFWSA-N	322.384	1.388	50	20	DDGD	
C[C@@H]1CN(CCC(=O)NNC(=O)c2ccsc2)C[C@@H](C)O1	111545070	YLILHYZQSLGIOE-GHMZBOCLSA-N	311.407	1.008	50	20	DDGD	
O=C(C[C@H]1CCCO1)NNC(=O)Cn1ccc2ccccc21	170899585	JWGNVCZYOPHYQE-CYBMUJFWSA-N	301.346	1.358	50	20	DDGD	
Cc1noc(C)c1[C@H](C)C(=O)NNC(=O)Cc1ccccc1F	66775462	HSTIKIDNGLIYQB-VIFPVBQESA-N	319.336	1.924	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)CC[C@H]1CCOC1	175823719	DREMPFYJBIVNQU-ZDUSSCGKSA-N	320.389	1.592	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H]2C[C@@]23CCc2ccccc23)n1	175313455	YRFSDVBWBWFWIA-CXAGYDPISA-N	310.357	1.832	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc(-c3ccccc3)[nH]2)cn1	172080765	QGJZEZFSUSUPKT-UHFFFAOYSA-N	309.329	1.490	50	20	DDGD	
O=C(NNC(=O)[C@@H]1SCCc2ccccc21)c1ccncc1	173005881	KQQDHBWUGOFSBI-CQSZACIVSA-N	313.382	1.873	50	20	DDGD	
COCCCNC(=O)NNC(=O)C[C@H](C)c1ccc(F)cc1	65204730	UCZOHCHTFSRCRT-NSHDSACASA-N	311.357	1.686	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)COc1cccc(C)c1	66307362	UTXDYCNQMFMFCW-CYBMUJFWSA-N	306.362	1.502	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCCc1cc(OC)ccc1OC	66887878	WRNVSMQAQSRVMD-ACCUITESSA-N	304.346	1.806	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc(OC)c(C)c1	77710389	HKSJYJORJOJPIX-VIFPVBQESA-N	300.380	1.359	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cccnc2)c(C)c1	184800706	QNWJABAGQPEQJM-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2)C12CCC2	74604542	MEEAMAJYBYGXQU-UONOGXRCSA-N	317.389	1.978	50	20	DDGD	
CCC[C@@H]1C[C@H](C(=O)NNC(=O)Cc2ccncc2)CCO1	180352164	OIJAZEJRLGEATB-ZIAGYGMSSA-N	305.378	1.367	50	20	DDGD	
CCOc1cccc(NC(=O)NNC(=O)c2ccccc2)n1	128852812	WGTCQWYBOSPHAQ-UHFFFAOYSA-N	300.318	1.947	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(F)c(Cl)c1	124856392	WSYZUSGOAGJFEP-ZETCQYMHSA-N	315.732	1.611	50	20	DDGD	
COc1ccc(F)cc1NC(=O)C(=O)NNc1ccccc1	181273226	NCGDQBCJHUYBAZ-UHFFFAOYSA-N	303.293	1.916	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1ccc(F)c(Cl)c1	77708938	AFASROGTKMHTMB-UHFFFAOYSA-N	308.762	1.835	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1	33409016	JTWJVCFOPLYHQM-YLBKJLTLSA-N	308.334	1.036	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccnn1)[C@@H]1CCCN(C2CCC2)C1	182956135	GUECJZHHDPZGPJ-CHWSQXEVSA-N	318.425	1.756	50	20	DDGD	
O=C(Cc1cncs1)NNC(=O)c1cc2ccccc2o1	189241691	MCBZUUHPUBAEAN-UHFFFAOYSA-N	301.327	1.893	50	20	DDGD	
CNC(=O)NNC(=O)c1cncc(-c2ccc(Cl)cc2)c1	133274458	VTHUGFULZQICPI-UHFFFAOYSA-N	304.737	1.976	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)Nc2ccccn2)c1	48348091	RAAPSODGKIDHTH-UHFFFAOYSA-N	314.345	1.930	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc(F)cc2[N+](=O)[O-])n1	134291798	BQQPHDDXMUUJEN-UHFFFAOYSA-N	305.269	1.898	50	20	DDGD	
CCCC[C@H](NNC(=O)COc1cccc(C)c1)C(=O)OC	135140226	YIGUVMPJWLUJQP-AWEZNQCLSA-N	308.378	1.726	50	20	DDGD	
C[C@H](CNC(=O)NNc1cccc(C#N)c1)CN1CCCC1	80049430	XBKPWJLSHDRDAM-CYBMUJFWSA-N	301.394	1.916	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(-c2ccc(C)o2)n[nH]1	193461408	NXTQQQDVODLUEK-UHFFFAOYSA-N	305.363	1.273	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@H]2CCCc3cccnc32)cc1	192466134	VEOGRURRTWRAGW-HNNXBMFYSA-N	320.352	1.834	50	20	DDGD	
NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1	194392859	DQQJDBOWKVBXCK-CYBMUJFWSA-N	307.353	1.601	50	20	DDGD	
COc1ccc2c(c1)C=C(C(=O)NNC(=O)C(C)(C)C)CO2	87124939	PFZKYQVUNXKGIA-UHFFFAOYSA-N	304.346	1.665	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1cc(C)ccc1Br	131757435	RQFBFKMYPKXFGQ-UHFFFAOYSA-N	307.169	1.087	50	20	DDGD	
Cc1nc(Cl)ccc1C(=O)NNc1cc(Cl)nc(N)n1	134042012	NRFSQSGEAFDWGZ-UHFFFAOYSA-N	313.148	1.826	50	20	DDGD	
CN(C)C(=O)CCCNC(=O)/C(C#N)=C\c1ccc(O)cc1	194395646	NAMJVFMUJANDGS-RAXLEYEMSA-N	301.346	1.284	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=S)NCC(F)(F)F	49519370	HPUOSZNQJKVNHJ-UHFFFAOYSA-N	309.288	1.426	50	20	DDGD	
CCOCCCCNC(=O)NNC(=O)c1c[nH]c2ccccc12	193375515	WIGUYAWEKFRLMY-UHFFFAOYSA-N	318.377	1.929	50	20	DDGD	
CCN(Cc1ccccn1)C(=O)NNC(=O)c1ccc(C#N)cc1	84155516	CJIVPVJWLDRQBT-UHFFFAOYSA-N	323.356	1.830	50	20	DDGD	
CN(C)N(C(=O)c1csc(Cl)c1)[C@H]1CCS(=O)(=O)C1	191811960	FLZMZXDRGORRRG-VIFPVBQESA-N	322.839	1.507	50	20	DDGD	
COCc1ccc(CNC(=O)NNC(=O)c2ccc(C)o2)cc1	84143152	UHVXIHIUJFHHGB-UHFFFAOYSA-N	317.345	1.879	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(F)c(Br)c1	144998213	GFOKNSCNSYATDN-UHFFFAOYSA-N	304.119	1.504	50	20	DDGD	
O=C1CCCC[C@H](C(=O)NNc2nc(-c3ccccc3)no2)N1	194083969	QKXYMZOLMHCXOS-LLVKDONJSA-N	315.333	1.239	50	20	DDGD	
CCN(CC)CCOc1ccc(NC(=O)NNC(=O)OC)cc1	265452241	LFJVRQLKFJZVFR-UHFFFAOYSA-N	324.381	1.800	50	20	DDGD	
CC(C)OCC(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	268849234	QGIKWQVHSQIKDA-UHFFFAOYSA-N	308.363	1.324	50	20	DDGD	
CCS(=O)(=O)C[C@@H](C)NC(=O)NNc1ccc(Cl)nc1	266801171	MYGUNVNJEZBIOE-MRVPVSSYSA-N	320.802	1.184	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H](C)n2nnnc2C(C)(C)C)n1	272967165	KKAJPYRLYBQNPQ-SECBINFHSA-N	319.369	1.079	50	20	DDGD	
COc1cccc(NNC(=O)c2cncc(-c3cnn(C)c3)c2)n1	367888494	BERFMGZPUUJCOO-UHFFFAOYSA-N	324.344	1.643	50	20	DDGD	
CC(C)(C)OCC(=O)NNC(=O)c1ccc(Cl)cc1O	272197234	LQKOWLWERQUDJC-UHFFFAOYSA-N	300.742	1.622	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc(F)cc(F)c1	276616171	UAKYYWFDRMQVDY-UHFFFAOYSA-N	316.304	1.515	50	20	DDGD	
COc1cccc(-c2nc(C(=O)NNC(=O)C3CC3)c(C)[nH]2)c1	270139525	RGXYASFKWRCLOO-UHFFFAOYSA-N	314.345	1.565	50	20	DDGD	
CCCC(=O)N1CSC[C@H]1C(=O)NNc1ncccc1C	276763665	RUOXHRSNMCIYTD-NSHDSACASA-N	308.407	1.535	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(F)ccc1O	271224095	AAOFCTXGDXNIGN-UHFFFAOYSA-N	303.384	1.003	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(C)n(-c2nccs2)c1C	271245486	CHQQMPBUFVQPFC-UHFFFAOYSA-N	321.406	1.857	50	20	DDGD	
CCc1cccc(C)c1NC(=O)C(=O)NNC(=O)CC(C)C	274238502	XNKXEUIHYMUIKZ-UHFFFAOYSA-N	305.378	1.689	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NNC(=O)c1ccccn1	274314987	NKMDIXFQRDXCGM-JSGCOSHPSA-N	305.378	1.828	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccccc1OC	276553274	KOBRTRKFYNDJLA-UHFFFAOYSA-N	310.350	1.245	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	285129490	WCULRKSQAJMXIV-INIZCTEOSA-N	311.345	1.778	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C	288856195	FNOHBVSSGLFDDQ-UHFFFAOYSA-N	317.323	1.103	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@@H]2CCOC[C@@H]2C)n1	288596249	HSDZITOMIBOCNZ-JQWIXIFHSA-N	306.366	1.007	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@@H]1COc2ccccc2C1	376436649	PJWCYCPXFGXDHD-AWEZNQCLSA-N	324.384	2.439	50	20	DDGD	
CSSCCNC(=O)CCn1nnc2ccccc2c1=O	284075338	MGFALHHLQOPMAY-UHFFFAOYSA-N	324.431	1.309	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCC(C)(C)C[C@H](C)O)n1	280402330	VREXUFHADJARGP-NSHDSACASA-N	308.382	1.131	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C[C@@H]1CCC(=O)[C@@H]1C	280120632	WUJIRZPUNOUJEN-NEPJUHHUSA-N	318.373	1.390	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)cn1	285532679	PXVXLUCBYQLIMT-IACUBPJLSA-N	304.394	1.788	50	20	DDGD	
CCOC(=O)NCCC(=O)NNC(=O)Nc1ccccc1C	281419906	ZXRZJRDYCQMASG-UHFFFAOYSA-N	308.338	1.284	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1occc1C(C)C	285514606	GGUGOKQKOCKICL-UHFFFAOYSA-N	301.437	1.875	50	20	DDGD	
O=C(CSCc1ccncc1)NNC(=O)NCC(F)(F)F	281332236	UCWYEPCBCVTQDH-UHFFFAOYSA-N	322.312	1.208	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)C[C@@H]1C=CCC1	294701279	RAEUZNMPKXIZFR-GFCCVEGCSA-N	323.418	1.736	50	20	DDGD	
CC(C)(C)CC(=O)NCC(=O)NNc1nccnc1C1CCC1	805462115	ZCTYHQHOEQJMIG-UHFFFAOYSA-N	319.409	1.740	50	20	DDGD	
CO[C@H](Cc1ccccc1)C(=O)NNC(=O)NCC(F)(F)F	296048400	BYGHJNDNIRUQAP-SNVBAGLBSA-N	319.283	1.137	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@@H](C)NC2CC2)c1C	294704714	GYUDDUFJTTYFLT-OLZOCXBDSA-N	319.405	1.359	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)o1	802016091	LAJWBVBPJHGCAL-UHFFFAOYSA-N	322.708	1.498	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCCCO2)cc([N+](=O)[O-])c1	295251739	AGHFPNJDJDSBHE-GFCCVEGCSA-N	307.306	1.233	50	20	DDGD	
O=C(Cc1ccc(F)cn1)NNc1nc(O)c2ccccc2n1	807049546	ZRRLGZTWLYNEDM-UHFFFAOYSA-N	313.292	1.555	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NCC1=CCCOC1	807593519	MBEYXLZRXNURTG-UHFFFAOYSA-N	303.362	1.215	50	20	DDGD	
CN(C)c1cccc(CNC(=O)NNC(=O)[C@H]2CCCCO2)c1	297321389	SGGZBHTUBSKVKV-CQSZACIVSA-N	320.393	1.152	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802124680	FXNAETZCHHCHIL-OAHLLOKOSA-N	308.382	1.456	50	20	DDGD	
CC(C)(C)[S@](=O)CCNC(=O)NNc1cccc(Cl)n1	292591417	GNPSYNQVHBOYQQ-HXUWFJFHSA-N	318.830	1.908	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)NC2CCOCC2)c1	299034346	ZAQUOLJHEQGBIJ-UHFFFAOYSA-N	321.377	1.192	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@H](c1ccccc1)N(C)C	298651689	MZCRRXBDMFHBNG-CQSZACIVSA-N	306.410	1.666	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCC(C)(C)CCC#N)n1	807592302	XDBULJZQRMBUMI-UHFFFAOYSA-N	306.370	1.750	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNc1ncc(F)cc1F	296925368	LCPAZLOBEVLNOV-NSHDSACASA-N	312.320	1.594	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1	808248549	MWLAYFDDRVETRI-VIFPVBQESA-N	319.188	1.890	50	20	DDGD	
COCC1(CNC(=O)NNc2nc(C)cc(C)n2)CCOCC1	291856215	DUDCJRAVLXCLLO-UHFFFAOYSA-N	323.397	1.163	50	20	DDGD	
CCOc1nccc(C)c1C(=O)NNC(=O)N=c1cc[nH]cc1	802036395	VWUSVWRCJPDBDH-UHFFFAOYSA-N	315.333	1.072	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CCc1cncnc1	815952215	DVVRTKCKGORBHR-UHFFFAOYSA-N	300.318	1.339	50	20	DDGD	
CC(=NNC(=O)C(F)F)c1cccc(O[C@H](C)C(=O)O)c1	814902705	YRXBNSPKCOQVMK-MRVPVSSYSA-N	300.261	1.644	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)COc1ccc(C)cc1	812449756	QVTIBJZJLTVHLY-STQMWFEESA-N	308.378	1.440	50	20	DDGD	
C[C@H]1CN(C[C@@H](C)C(=O)NN=C2CCOC2(C)C)C[C@@H](C)O1	814766398	IUEJAMMSQVFTCI-UPJWGTAASA-N	311.426	1.403	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=C(C)c1cc(CO)on1	812224038	XUHNISHHRNOCQK-UHFFFAOYSA-N	317.345	1.649	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@](C)(O)c1ccccc1	817596856	PLUUCOCNFQESRH-INIZCTEOSA-N	300.362	1.951	50	20	DDGD	
COc1ccc2c(c1)OC[C@H](C(=O)NNc1ncncc1F)C2	817081555	FUSAVKFRSCNIDQ-SNVBAGLBSA-N	318.308	1.319	50	20	DDGD	
CN(NC(=O)CCc1nc(-c2ncccn2)no1)c1ccccc1	727848282	GXTOMCPVYUBPRA-UHFFFAOYSA-N	324.344	1.627	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2CC[C@@H](CC(=O)O)[C@H]2C)n1	814753283	SOVHMBCIQZJICX-NEPJUHHUSA-N	306.366	1.493	50	20	DDGD	
COc1cc(OC)c(OC)cc1C=NNC(=O)c1cccn1C	725845970	OKKMEYKHFNLMNP-UHFFFAOYSA-N	317.345	1.815	50	20	DDGD	
O=C(CN1CCOC1=O)NNc1ccc(OC(F)(F)F)cc1	821158870	ULGKCYNEMUTZSA-UHFFFAOYSA-N	319.239	1.481	50	20	DDGD	
CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)NC(C)C	822840714	OFVMVXZUOPZKPB-NSHDSACASA-N	314.430	1.302	50	20	DDGD	
COc1cc(C(=O)NN(C)[C@@H](C)CO)ccc1OC1CCCC1	823970902	MSSDYFDPLLVFCK-LBPRGKRZSA-N	322.405	1.974	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNc1nc2c(C)cccc2s1	828352114	NMIYIOCSMMONQX-JTQLQIEISA-N	306.391	1.963	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@H](C(F)(F)F)C1(C)C	829147524	VGQVWHJFXDTDLN-VIFPVBQESA-N	309.332	1.453	50	20	DDGD	
CN(NC(=O)[C@@](N)(c1cccc(F)c1)C(F)(F)F)C1CC1	822434598	WMMSSYDUYYFHLX-LBPRGKRZSA-N	305.275	1.667	50	20	DDGD	
Cc1ncsc1/C=C\C(=O)NNc1cc(Cl)nc(N)n1	492713391	HWKALIZJTVQIGM-IHWYPQMZSA-N	310.770	1.634	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCCC[C@H]1COC(=O)NC(C)C	490941458	LBDJOJIUKSYWAM-ZVHGMHCTSA-N	323.393	1.946	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1	495774946	PMSSADVJUVYJTG-NSHDSACASA-N	313.260	1.235	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@H](NC(=O)OC(C)(C)C)C1CC1	490784098	WQXXRYFQQINGPN-UKVQZPPCSA-N	323.393	1.850	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCCOc1ccccc1	825618271	KXKMPFGXOXTVMS-GXTWGEPZSA-N	321.377	1.211	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	491802699	GOYOPGFUWFCCAO-SNVBAGLBSA-N	318.333	1.553	50	20	DDGD	
CC[C@H](CNCc1ccc(B(O)O)o1)Oc1cccc(F)c1	585026528	OHNIAFMMQZNIFJ-GFCCVEGCSA-N	307.130	1.046	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)/C=C\c2ccc[nH]2)c(C)c1	492940116	HSXXSCRDEIHVPD-VURMDHGXSA-N	312.373	1.904	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1	495448608	PIUGEISOEAJJLT-UHFFFAOYSA-N	323.202	1.170	50	20	DDGD	
CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2ccc(B(O)O)cc2)C1(C)C	585001247	UMFTYNLVQQWHGD-UONOGXRCSA-N	319.210	1.078	50	20	DDGD	
Cn1c(=NNC(=O)[C@H]2C[C@]23CCNC3)sc2ccccc21	826619272	YKLXDWLYBXQYRT-BMIGLBTASA-N	302.403	1.171	50	20	DDGD	
Cc1ccc(C2=NO[C@H](C(=O)NNC(=O)C(C)(C)C)C2)cc1	900221222	LNQYDQPGXYOQBG-ZDUSSCGKSA-N	303.362	1.682	50	20	DDGD	
C[C@@H](CC(=O)O)C(=O)NNC(=O)c1ccc2ccccc2n1	827303979	MWHQTTADPISTPK-VIFPVBQESA-N	301.302	1.107	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCN(c3ccncc3)CC2)cn1	822234239	JWTKZOZMQVJDIZ-GDNBJRDFSA-N	322.372	1.071	50	20	DDGD	
CCOC(=O)c1c(NC(=O)NN(C)C2CC2)c(C#N)cn1CC	824380607	MRRPGIIVQYFUFD-UHFFFAOYSA-N	319.365	1.687	50	20	DDGD	
CC[C@H](Cc1ccccc1)NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	825890658	JNOCJTFIFFLHOC-CFVMTHIKSA-N	319.405	1.763	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H]2CCC[C@@H](C(F)(F)F)C2)o1	585026325	LSLAZAHUFBEKCL-NXEZZACHSA-N	305.105	1.418	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@H](c2ccncc2)C1	829816551	DATQBXQNUHPVLL-AWEZNQCLSA-N	318.421	1.455	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)C(C)(C)O)c(-c2ccccc2)n1	907628443	XAQWIIDIDYITGZ-UHFFFAOYSA-N	316.361	1.102	50	20	DDGD	
COC(=O)N(C)N=Cc1c[nH]nc1-c1ccc2c(c1)OCCO2	495614163	VMUKRELHDGFXAU-UHFFFAOYSA-N	316.317	1.880	50	20	DDGD	
C=CC(=O)NCCC(=O)NNc1ncnc(Cl)c1C(C)C	490735124	SINVLKOLDPQXDL-UHFFFAOYSA-N	311.773	1.389	50	20	DDGD	
COC(=O)N(C)NC(=O)c1c[nH]nc1-c1ccc(OC)cc1	495762753	PGKHNNUFCZXBNB-UHFFFAOYSA-N	304.306	1.428	50	20	DDGD	
O=C(CCc1cccc2c1OCO2)NNC(=O)[C@H]1CCCCO1	833242230	INFVHNRLQMULHJ-CYBMUJFWSA-N	320.345	1.064	50	20	DDGD	
CCC(C)(C)OCCNC(=O)NNC(=O)c1ccccc1F	836429293	PULYCEMXMWHJOC-UHFFFAOYSA-N	311.357	1.975	50	20	DDGD	
CCC(C)(C)OCCNC(=O)NNC(=O)[C@H]1CCCCO1	836690665	FEYJRLWTNAEWQY-LLVKDONJSA-N	301.387	1.091	50	20	DDGD	
CC(C)n1ncc(NCc2ccc(B(O)O)cc2F)c1C1CC1	585037137	VYQURRPKAWXDQN-UHFFFAOYSA-N	317.173	1.772	50	20	DDGD	
OB(O)c1ccc(CNC2CCC(C(F)F)CC2)c(F)c1	585046570	TZDREOJOPMPDFT-UHFFFAOYSA-N	301.117	1.419	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)OCCNC(=O)C2CCCC2)cn1	837970396	CPSDZGNXDRVTJS-ZSOIEALJSA-N	316.361	1.177	50	20	DDGD	
CCOC(=O)[C@H](C)OC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	733429116	ABUGWAYGNHDMTG-HOVAHTAHSA-N	315.329	1.607	50	20	DDGD	
C[C@H](OC1CCCCCC1)C(=O)NNC(=O)[C@@H]1CCCCO1	833247290	ZSDUFCLXXUYVAZ-JSGCOSHPSA-N	312.410	1.831	50	20	DDGD	
CC1(C)C[C@@H](O)c2cc(NCc3cccc(B(O)O)c3)ccc21	585036487	LAQGPSLVQNUUPB-QGZVFWFLSA-N	311.190	1.693	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@H]2CCCC2(F)F)n1	838672763	JVPXQDVHBXPUIM-MRVPVSSYSA-N	301.297	1.547	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)[C@H]2CCCCO2)CCCS1	836357980	MXNRKSVAJTZWFR-MFKMUULPSA-N	301.412	1.172	50	20	DDGD	
CN1[C@H]2CC[C@H]1CC(NC(=O)[C@@]1(C)C[C@H]1Br)C2	909206421	MENPWRBSCZCERI-KQXIARHKSA-N	301.228	1.901	50	20	DDGD	
C[C@@H](NC(=O)c1cccc(B(O)O)c1)C(C)(C)c1ccccc1	584940343	UGUVIFUYZAUBFW-CYBMUJFWSA-N	311.190	1.463	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	837589719	YXQVAWAZTWRNSW-VIFPVBQESA-N	321.312	1.789	50	20	DDGD	
O=C(C[C@@H]1CCC(=O)N1)NNc1ccc(C(F)(F)F)cn1	832395450	KHZLXCVXTJQFMF-QMMMGPOBSA-N	302.256	1.212	50	20	DDGD	
O=C(Cc1cccc2cccnc12)NNC(=O)[C@H]1CCCCO1	833778318	AXKSZWOZLAIWSB-CQSZACIVSA-N	313.357	1.494	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)[C@@H]1CCCCO1)N1CCCCC1	833778698	HUMJREKDQCXJFU-UONOGXRCSA-N	311.426	1.213	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCCN(C)CC(F)(F)F	916580968	ADWMVIRFBAYEGO-UHFFFAOYSA-N	312.336	1.247	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccnc(F)c2)c2ccccc21	745492270	WRDLKXLBOIQSMC-UHFFFAOYSA-N	312.304	1.787	50	20	DDGD	
O=C(NCC(F)(F)F)NN=C1CCN(c2cnccn2)CC1	917551925	VTLHCYZOMLSCRV-UHFFFAOYSA-N	316.287	1.294	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNC(=O)CC(F)(F)F)C12CCC2	745852251	ANQNZXNAZPYIDS-DTWKUNHWSA-N	323.315	1.617	50	20	DDGD	
COc1nc(N(C)C)sc1C=NNC(=O)[C@H]1CCO[C@@H]1C	842558697	SMLTXNSTXZUOBT-BDAKNGLRSA-N	312.395	1.093	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NC[C@H]2CCCS2)cc1	845035066	IMMOCAWMFIQWDJ-CYBMUJFWSA-N	323.418	1.924	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cn(C)nc1-c1ccncc1	842553216	FVBCNTUXBGYKGP-FZMZJTMJSA-N	313.361	1.357	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H](C)CCc1cccc(F)c1	843652811	LBJGCCZLCMMQAP-TYNCELHUSA-N	322.380	1.967	50	20	DDGD	
C[C@@H](Cc1cnc[nH]1)C(=O)NNc1ccc(S(C)(=O)=O)cc1	847602083	RJMWMFKEYOUIRA-JTQLQIEISA-N	322.390	1.135	50	20	DDGD	
CCc1cc(CNC(=O)NNC(=O)c2cccc(C#N)c2)on1	741279290	WCMQIANRNCMVLM-UHFFFAOYSA-N	313.317	1.253	50	20	DDGD	
CC(=NNC(=O)Cn1c(C)nc2ccccc21)c1ccn(C)n1	841608835	JDKWCHBDHYKUQF-UHFFFAOYSA-N	310.361	1.619	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)C2CCCC2)c(OC)c1	918234572	FRFSTVGGALGARO-UHFFFAOYSA-N	321.377	1.724	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNC(=O)C1CCCC1	741905113	NOUOJHYHHZTPCD-SNVBAGLBSA-N	306.410	1.553	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@H]1CCc2ncncc2C1	843885781	JQGIRUOUXYSUQT-LBPRGKRZSA-N	324.388	1.782	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](NC(=O)NNc2cccc([N+](=O)[O-])c2)C1	840452891	QGJXBJBAYYVWQM-WAAGHKOSSA-N	308.294	1.173	50	20	DDGD	
CCSc1ccc(C(=O)NNc2nccn(C)c2=O)cn1	747937208	DYRCVVYAWIMRSD-UHFFFAOYSA-N	305.363	1.044	50	20	DDGD	
CN(C)c1cc(C(=O)NNC(=O)c2c[nH]c3ccccc23)ccn1	915057832	ISXUBWKCGXAPIS-UHFFFAOYSA-N	323.356	1.704	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)n1	847444281	YSHHIJQRLCXFFC-NEPJUHHUSA-N	320.397	1.128	50	20	DDGD	
CCc1cccc(NC(=S)NNC(=O)[C@H]2CCO[C@@H]2C)c1	843276612	DSUVODBBBOCXDH-MFKMUULPSA-N	307.419	1.992	50	20	DDGD	
C=CCCOCC(=O)NNC(=O)c1ccc(Cl)cc1F	747331934	DGWZVAJLIPXYJG-UHFFFAOYSA-N	300.717	1.833	50	20	DDGD	
NC(=O)CCCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	746308334	GOIOQJXDQLMDJR-UHFFFAOYSA-N	307.394	1.006	50	20	DDGD	
C#CCCOc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	843660539	LLFDGBAMPMRAGF-SWLSCSKDSA-N	316.357	1.275	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2ncncc2Cl)CCCC1	843861419	RJXXWFGLFJJCCQ-UHFFFAOYSA-N	312.757	1.697	50	20	DDGD	
CC(C)NC(=O)[C@@H](C)NC(=O)[C@H](Br)C(C)(C)C	840546496	MLTCNEXMYJSCAZ-BDAKNGLRSA-N	307.232	1.825	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)C1(C(C)C)COC1	929247499	QHJUZGGQJXRTNB-UHFFFAOYSA-N	323.418	1.685	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC[C@@H](C2OCCO2)C1	921247774	LZRQLBUNACIUSA-SNVBAGLBSA-N	311.831	1.276	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccnc(Oc2ccccc2)c1	756634179	LXDKZEGEUHTBQR-UHFFFAOYSA-N	316.317	1.673	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@H]1CCCCS1	854284036	UXSRLWBFVOSASU-SNVBAGLBSA-N	305.469	1.146	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2cccc(F)n2)C[C@@H](C)S1	852708993	NDFYTRBCZXAZTL-RKDXNWHRSA-N	312.370	1.401	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H](C)CCN1CCI	759436225	KTAIEQGFBNDOCV-IUCAKERBSA-N	311.163	1.695	50	20	DDGD	
CC(C)(C)c1nn(-c2ccccc2)cc1C=NNC(=O)C(N)=O	758360447	VWTZPIYQVMWRIR-UHFFFAOYSA-N	313.361	1.105	50	20	DDGD	
CCCC1(C(=O)NNC(=O)Cc2cn3ccccc3n2)CCC1	759239632	KEBPXJOZZJKKHB-UHFFFAOYSA-N	314.389	1.995	50	20	DDGD	
COCCCOCCC(=O)NNc1cc(Cl)nc(C)n1	854956027	CTAAIMBIMFSBOB-UHFFFAOYSA-N	302.762	1.325	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)NCC2CC(C)C2)c1	856908727	OPPMSKJYOJSZMZ-UHFFFAOYSA-N	321.377	1.694	50	20	DDGD	
O=C(/C=C\c1ccc(O)cc1)NNC(=S)NCC1CCC1	855089368	OAVGYZODFAESJH-TWGQIWQCSA-N	305.403	1.701	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1csc(-c2ccccn2)n1	751372405	RJVZZGLLEUJEQL-UHFFFAOYSA-N	317.374	1.559	50	20	DDGD	
CN(C[C@@H]1CC1(C)C)C(=O)NNC(=O)c1ccc(C#N)cc1	852028983	ALNCIJJQUIUDTM-ZDUSSCGKSA-N	300.362	1.891	50	20	DDGD	
C[C@@H]1COCCC1=NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C	853377384	PNRGUSIQPDWTAF-LALPHHSUSA-N	320.393	1.416	50	20	DDGD	
Cc1nnc(NNC(=O)CC[C@H]2CC2(Cl)Cl)nc1O	856794196	UUGRNYYXQMQHJG-LURJTMIESA-N	306.153	1.303	50	20	DDGD	
CCc1ncc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)s1	853388409	GOXKUOPQHCNMBM-PWSUYJOCSA-N	308.407	1.019	50	20	DDGD	
CS(=O)(=O)c1cccc(C=NNC(=O)OCC(F)(F)F)c1	853428625	OGTYCUHUAQHMLZ-UHFFFAOYSA-N	324.280	1.713	50	20	DDGD	
Cc1nc([C@H](C)NC(=O)NC[C@]2(C)C[C@@H]2Br)n[nH]1	856957946	IEDCHUVOGJIUGS-RASWFIQWSA-N	316.203	1.647	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cccc(Cl)c1N(C)C	755940263	RZNXLDAXQNMSHF-UHFFFAOYSA-N	300.746	1.205	50	20	DDGD	
Cc1ccc(O)c(C=NNC(=O)[C@H](C)CN2CCOCC2)c1	755585506	VDLCACBYJUNXJR-CYBMUJFWSA-N	305.378	1.119	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ncnc2ccsc12	854683362	OWNFNIBFXAYNSA-VIFPVBQESA-N	306.347	1.021	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1nccc2[nH]ccc12)C1CC1	855094496	CJQUDBUMZBALQK-QMMMGPOBSA-N	303.391	1.470	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)C/C(C)=C\c1ccccc1	755194699	KIMHHAVOZPYTNM-FZDNWWAKSA-N	303.406	1.968	50	20	DDGD	
O=C(NCC1CC1)NN=Cc1cn(-c2ccc(F)cc2)nn1	863084028	XMJPSROFVWGLKF-UHFFFAOYSA-N	302.313	1.450	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1cnn(C(C)(C)C)c1C	863152827	GYKPJNRSCCUNMM-LBPRGKRZSA-N	305.382	1.065	50	20	DDGD	
CCOc1cccc(C=NNC(=O)COC)c1OC(F)F	761819640	XXHLPUVIHFTOSZ-UHFFFAOYSA-N	302.277	1.783	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](O)[C@H](C)c1ccccc1F	868894807	VHUQXSQFTGZOPB-BXKDBHETSA-N	320.324	1.232	50	20	DDGD	
CCOC(=O)Nc1ccc(NCc2ccc(B(O)O)cc2)cc1	864019620	JXPAJRJDIBJVMQ-UHFFFAOYSA-N	314.150	1.547	50	20	DDGD	
COC(=O)C12CCC(C(=O)NN=c3cc[nH]c(C)c3)(CC1)CC2	862514237	VGYCRGAWFWUSPE-UHFFFAOYSA-N	317.389	1.769	50	20	DDGD	
NC(=O)c1csc(C(=O)NNc2ccc([N+](=O)[O-])cc2)c1	768242958	CVOHLGDKRSXQLB-UHFFFAOYSA-N	306.303	1.512	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2cncc(Br)c2)n[nH]1	767386863	FKBZUKQTGVOWCF-UHFFFAOYSA-N	308.139	1.640	50	20	DDGD	
O=C(NNc1ncccc1Cl)c1ccc2nnc(O)n2c1	764271040	HFJULFHFMZYXOX-UHFFFAOYSA-N	304.697	1.240	50	20	DDGD	
CC(C)C1(C(=O)NNC(=O)CCOc2ccccc2)COC1	931163135	DGCUIHZZXMZEEP-UHFFFAOYSA-N	306.362	1.276	50	20	DDGD	
C[S@@](=O)C1(CNS(=O)(=O)CC(C)(C)CCl)CCC1	867223513	KWDDMQBSURGTAJ-QGZVFWFLSA-N	315.888	1.472	50	20	DDGD	
OB(O)c1ccccc1CNCc1cccc(OCC(F)F)c1	863888035	DKRHDXQOXQMPDE-UHFFFAOYSA-N	321.132	1.300	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCCOC[C@H]1CCOC1	768064029	VWSDIDZWWZNNAI-QWRGUYRKSA-N	322.243	1.965	50	20	DDGD	
CCOC(=O)c1cnc(C)c(NC(=O)NNC(=O)C2CC2)c1	764676041	DSIZYOLFBPIOLI-UHFFFAOYSA-N	306.322	1.129	50	20	DDGD	
Cc1ccc2c(c1)[C@@H](NC(=O)NNC(=O)CC(F)(F)F)CO2	764375196	OINHBCNCLOGLSD-VIFPVBQESA-N	317.267	1.711	50	20	DDGD	
CC(=NNC(=O)c1cncn1-c1ccccc1)c1cnccn1	1116076116	KMUJFHITSKFFHB-UHFFFAOYSA-N	306.329	1.816	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)Nc2cccnc2)C[C@H]1Br	1118809955	PIWCFAUXYPTEQP-BXKDBHETSA-N	312.167	1.310	50	20	DDGD	
Cc1n[nH]c(C)c1CCC(=O)NNC(=S)Nc1ccccn1	874956712	MIBKRBZVRZTLOB-UHFFFAOYSA-N	318.406	1.372	50	20	DDGD	
CC1(C)CC(=NNC(=O)[C@@H]2COc3ccccc3O2)CCO1	872327178	JZKMXXHNIVLUBF-AWEZNQCLSA-N	304.346	1.888	50	20	DDGD	
COCCOCC(=O)NN=Cc1c[nH]nc1-c1cccc(C)c1	872401057	DRBCHCXEUWIEBQ-UHFFFAOYSA-N	316.361	1.498	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1	770034232	KCAIODOVYCFPHP-NSHDSACASA-N	322.365	1.694	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2ccc3ccccc3n2)c1[N+](=O)[O-]	777465928	WZQLZFSLMVBJTG-UHFFFAOYSA-N	312.289	1.931	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1nnc(-c2ccco2)s1	775523932	BFCRUIGSVKQVLA-UHFFFAOYSA-N	321.297	1.876	50	20	DDGD	
COCC1(C(=O)NNC(=S)Nc2cc(C)ccc2F)CC1	874946304	DRJOHPXXNZIOOU-UHFFFAOYSA-N	311.382	1.878	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNc2cc(Cl)nc(N)n2)c1	779374732	CBPXJABKLMDXIJ-UHFFFAOYSA-N	321.724	1.256	50	20	DDGD	
CC(C)C[C@H](C)n1nccc1NC(=O)NNC(=O)CN(C)C	775764098	FGFAHVZQRSGQSX-NSHDSACASA-N	310.402	1.205	50	20	DDGD	
COCCOCC(=O)NN=Cc1cc(F)ccc1OC(F)F	872400548	UZXMWCFSVAMVTL-UHFFFAOYSA-N	320.267	1.540	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)C1(O)CCCCC1	873769188	LCEOPWSATQWQSD-UHFFFAOYSA-N	323.418	1.708	50	20	DDGD	
C[C@H]1CN(C[C@@H](C)C(=O)NN=C2CCO[C@H](C)C2)C[C@@H](C)O1	773191410	QZZZAVHASUIHGX-SYQHCUMBSA-N	311.426	1.403	50	20	DDGD	
CC(C)Nc1ccc(C(=O)NNC(=O)C2CCOCC2)cn1	883064925	UBCPECAPFPAXJE-UHFFFAOYSA-N	306.366	1.090	50	20	DDGD	
O=S(=O)(CCCCl)NCc1nc(C(F)(F)F)no1	882054874	AWKUZELGMGYNES-UHFFFAOYSA-N	307.681	1.137	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1cccc(OC(F)(F)F)c1	884377987	CCZIGTJJIRQAIF-UHFFFAOYSA-N	312.269	1.305	50	20	DDGD	
CN(C)[C@@H](CNS(=O)(=O)CCCCl)Cc1ccccc1	881748189	WIELHCMGXXAJNC-CQSZACIVSA-N	318.870	1.708	50	20	DDGD	
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NNc1ccc(C#N)cn1	887900894	XNNADDHYDTYSRC-OLZOCXBDSA-N	316.409	1.700	50	20	DDGD	
C=C/C=C/CCNC(=O)NNC(=O)c1ccc(OC)c(OC)c1	883422570	QNHQLKJEQALQJK-AATRIKPKSA-N	319.361	1.780	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCC[C@H](O)c1ccccc1	887150480	MABHQIGVHDSDSR-HNNXBMFYSA-N	302.374	1.841	50	20	DDGD	
C[C@H]1CCCCN1[C@@H](C)CNC(=O)NNc1ccc(C#N)cn1	887704963	BAFJBBSSMSLLNV-STQMWFEESA-N	316.409	1.842	50	20	DDGD	
O=C1Nc2ccccc2C[C@H]1NS(=O)(=O)CCCCl	882454382	YXNWWGMUOCTORE-LLVKDONJSA-N	302.783	1.098	50	20	DDGD	
CC(C)[C@](C)(O)C(=O)NNc1nnc(-c2ccccn2)s1	788566362	AMJSNUDRLLJHPG-ZDUSSCGKSA-N	307.379	1.450	50	20	DDGD	
CCc1noc(COCC(=O)NNc2cc(F)ccc2F)n1	885140390	XJBVCOIXTOCYHD-UHFFFAOYSA-N	312.276	1.570	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@H]1COc2ccccc2C1	881770310	KEWNKGPYFFKRGR-NSHDSACASA-N	303.811	1.786	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CC[C@@H](C)C2)cc1	780801572	XRGYPZMUZBYEOH-OLZOCXBDSA-N	305.378	1.893	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccc(F)cc2Cl)nn1	885139114	WJFYMQVEBJJLQY-UHFFFAOYSA-N	313.720	1.474	50	20	DDGD	
CC(C)CS(=O)(=O)CCC(=O)NNc1ncncc1Cl	781826532	XFMQQNYUWWGYAA-UHFFFAOYSA-N	320.802	1.034	50	20	DDGD	
N#Cc1ccc(CC(=O)NNc2ccc(-n3ccnc3)nn2)cc1	788175567	VRIYQGCEMPESHZ-UHFFFAOYSA-N	319.328	1.220	50	20	DDGD	
CN(CC(=O)NC1CC1)C(=O)[C@@H](Br)C(C)(C)C	781071150	RVRQNNWQTVQZKT-SNVBAGLBSA-N	305.216	1.533	50	20	DDGD	
O=C(NNc1ncncc1Cl)NC1CCN(C2CC2)CC1	780954712	FQQXHZRSKVIISQ-UHFFFAOYSA-N	310.789	1.383	50	20	DDGD	
Cc1csc(=O)n1CCC(=O)NNc1ncncc1Cl	781818978	TXAIGDZPGUIAGT-UHFFFAOYSA-N	313.770	1.195	50	20	DDGD	
Cc1ccnc(NNC(=O)c2cccn(CC(C)C)c2=O)c1	896298482	PZFVWDJHJSSEOK-UHFFFAOYSA-N	300.362	1.965	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H]2COC(C)(C)O2)c1	783273398	BCWIMTONQUEGKI-LBPRGKRZSA-N	323.349	1.251	50	20	DDGD	
Cc1ncc(C(=O)NNC(=S)NC(C)(C)C)c(C(C)C)n1	899995630	YDNZOKQVZLQHMZ-UHFFFAOYSA-N	309.439	1.816	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc2cnccc2n1	899998428	NUPSNUQLZSHMFW-UHFFFAOYSA-N	303.391	1.537	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNc1ncccc1C(F)(F)F	895267611	NVLJXQHRBLIIKV-HTQZYQBOSA-N	317.267	1.743	50	20	DDGD	
C[C@H](OC(=O)/C(C#N)=C/C1CC1)C(=O)NC(=O)NC(C)(C)C	786676221	QBEZBHWOTMBXPC-FKVCUQLRSA-N	307.350	1.402	50	20	DDGD	
Cn1c(CC(=O)NN=C[C@H]2CCSC2)nc2ccccc21	782150137	LAEHDPJRPVZLQD-LLVKDONJSA-N	302.403	1.971	50	20	DDGD	
CN1CCC[C@H]1c1cc(C(=O)NNc2ccnc(F)c2)n[nH]1	897348973	MPNUZGGKJWMJCD-LBPRGKRZSA-N	304.329	1.467	50	20	DDGD	
CC1CCN([C@@H](C)CNS(=O)(=O)CBr)CC1	782425163	OZMNLZSMAHZBSE-JTQLQIEISA-N	313.261	1.379	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)COc2ccc(F)cc2)cn1	794612364	FGRBUMBWLKDSFO-UHFFFAOYSA-N	318.308	1.102	50	20	DDGD	
COc1cncc(C(=O)NNc2ccnc(Br)c2)n1	790902834	XQESOGZMOGZQJM-UHFFFAOYSA-N	324.138	1.400	50	20	DDGD	
Cc1nn(C)c(C=NNC(=O)NC(C)C)c1Br	790286988	IXIJLACLDRHCOH-UHFFFAOYSA-N	302.176	1.533	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)Nc1cncc(F)c1	799235949	PHSAPXAVGHCALK-UHFFFAOYSA-N	306.272	1.755	50	20	DDGD	
Cc1oc(S(N)(=O)=O)cc1C(=O)NNc1ccccc1F	798334734	OXVZOHKJXIYBSB-UHFFFAOYSA-N	313.310	1.131	50	20	DDGD	
COc1nc2sccn2c1C=NNC(=O)c1cccc(C)n1	794564337	JKDSGFCPGYATHC-UHFFFAOYSA-N	315.358	1.872	50	20	DDGD	
CCc1noc(C)c1C(=O)NNc1ccc(-n2ccnc2)nn1	1323249361	CPCRDKBJRUPLDJ-UHFFFAOYSA-N	313.321	1.278	50	20	DDGD	
O=C(CO[C@H]1CCOC1)OC[C@@H](CBr)C1CC1	1328879315	SJUMRROHDLZFQA-MNOVXSKESA-N	307.184	1.756	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC2(C(F)(F)F)CC2)cc1	1333352586	WUBSDRSXEYIPCA-UHFFFAOYSA-N	317.267	1.734	50	20	DDGD	
CCc1cc(C(=O)NNc2nc(-c3ccccc3)no2)nn1C	1254437918	CUYBXSXUQVDTDG-UHFFFAOYSA-N	312.333	1.789	50	20	DDGD	
Nc1cnnc(NNC(=O)CCc2ccc(O)cc2)c1Cl	1254807540	MESHZQUMCXHAPQ-UHFFFAOYSA-N	307.741	1.494	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1	1332594030	UYPDZCFNXCEYII-NWDGAFQWSA-N	322.390	1.602	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CC[C@@]2(CCOC2=O)C1	1336358398	VZAKMRLGVBEAOI-HOFZKYPUSA-N	314.316	1.898	50	20	DDGD	
CC(C)CC(=O)N1CCCC[C@H]1C(=O)NN[C@H](C)C(F)(F)F	1347852575	TZAUEZBTZWCELI-MNOVXSKESA-N	323.359	1.985	50	20	DDGD	
Nc1cnnc(NNC(=O)CCCOc2cccnc2)c1Cl	1340598369	COIURCZIPXQUFC-UHFFFAOYSA-N	322.756	1.410	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](C)c2ncccc2C)o1	1523520387	RKRDQIVFKFYMJB-LLVKDONJSA-N	302.334	1.997	50	20	DDGD	
C[C@H](CC(=O)NNc1cccc(C(=O)O)c1F)c1cnn(C)c1	1609727041	UBVHUHQTYQOUNH-SECBINFHSA-N	320.324	1.894	50	20	DDGD	
Cc1coc(CC(=O)O)c1C(=O)NNC(=O)NC1CCCC1	1600641738	VMQVAUVFHWWHNQ-UHFFFAOYSA-N	309.322	1.102	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1cc(-c2nn[nH]n2)ccn1	1605683151	SAOFYICTXSMLOM-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
O=C(NCc1cccc(-c2nn[nH]n2)c1)NNc1ccccn1	1606837137	ONOPRCJCUAVHED-UHFFFAOYSA-N	310.321	1.088	50	20	DDGD	
C[C@@H]1CNC[C@H]1CCNC(=O)NNc1ccc(F)c(C(=O)O)c1	1607440382	GMPVDSKWLVTQEJ-NXEZZACHSA-N	324.356	1.396	50	20	DDGD	
O=C(O)[C@@H](NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1ccccc1Cl	1601677418	BEZPZBSKPLUDIJ-DXLKZPDWSA-N	324.764	1.654	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cccc1C(=O)O	1600055869	MANWFSHTFMYYTG-VHRBIJSZSA-N	304.346	1.951	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1cccc(C(=O)O)c1	1604301046	OKTRVMOOYNJTKE-SECBINFHSA-N	323.349	1.741	50	20	DDGD	
Cc1cc(C(=O)O)oc1C(=O)NNC(=O)Nc1ccccc1	1600133726	RIBFINQOCFHNMJ-UHFFFAOYSA-N	303.274	1.753	50	20	DDGD	
CCCN1C[C@H](C(=O)NNc2ccc(F)c(C(=O)O)c2)CC1=O	1605322627	RRQHPIHLHXWVLF-SECBINFHSA-N	323.324	1.226	50	20	DDGD	
CCCSCC(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1605347165	GCGYMTDBZZYSOU-UHFFFAOYSA-N	317.436	1.723	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2c[nH]nc2[C@H]2CCCO2)nc1	1602384383	KKVNRCBKXJIHES-SNVBAGLBSA-N	317.305	1.111	50	20	DDGD	
COc1c(C(=O)NNc2ccccc2C(=O)O)c(C)nn1C	1607009443	DEGLYOKTVCFOMF-UHFFFAOYSA-N	304.306	1.192	50	20	DDGD	
O=C(NNc1cccc(F)c1)C(=O)Nc1cccc(C(=O)O)c1	1610699547	APZISEOLVGJNKE-UHFFFAOYSA-N	317.276	1.606	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)ccc1F	1549316627	HIRHPJGGONAUJL-ZFWWWQNUSA-N	305.353	1.447	50	20	DDGD	
C=C(CCC(=O)O)C(=O)NNC(=O)CSc1ccc(C)cc1	1573336718	FRZVQJKCTJRRSS-UHFFFAOYSA-N	322.386	1.656	50	20	DDGD	
CC[C@H]1NCC[C@@H]1NC(=O)NC[C@]1(C)C[C@@H]1Br	1578239103	RHHZLZIGFKEXBS-WDCWCFNPSA-N	304.232	1.600	50	20	DDGD	
C=C(CBr)CN(C)[C@@H](COC1CCC1)C(=O)O	1588605216	DCOHBHDWKYOAEK-NSHDSACASA-N	306.200	1.892	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCCCO1	1847313542	BHRZKMYLYDYQBU-FIQHERPVSA-N	318.776	1.292	50	20	DDGD	
CC1(C)OC[C@H]2C[C@]21C(=O)NNc1ccc(CC(=O)O)cc1	1593976532	ILOSGBGLRVSULL-BDJLRTHQSA-N	304.346	1.572	50	20	DDGD	
COC[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1841661925	FRITXPCJMIWPJA-UWVGGRQHSA-N	306.765	1.007	50	20	DDGD	
COc1cnc(C(=O)NNc2ccc(C(=O)O)c(F)c2)c(F)c1	1599723664	SEVIQHDBEBCKKP-UHFFFAOYSA-N	323.255	1.824	50	20	DDGD	
O=C(O)CC[C@H]1C[C@H](C(=O)NNc2nc3ccccc3[nH]2)CO1	1595004301	JDWBHJPUCPRFGL-UWVGGRQHSA-N	318.333	1.276	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)[C@@]1(C(=O)O)C[C@H]2CC[C@H]1C2	1594420375	IPWLAXFWLHCKAW-XMZIXOGTSA-N	317.345	1.042	50	20	DDGD	
O=C(O)CCCCC(=O)NNC(=O)CCOc1ccccc1	1595032707	LQCORMBEIREYQS-UHFFFAOYSA-N	308.334	1.248	50	20	DDGD	
Cc1oc(C(C)C)nc1C(=O)NNc1ncccc1C(=O)O	1594505856	GQALNJLPUQAHOP-UHFFFAOYSA-N	304.306	1.957	50	20	DDGD	
COc1cc(C=NNC(=O)c2cccc(F)n2)ccc1C(=O)O	1776093740	HXCRQUUKYKAVDX-UHFFFAOYSA-N	317.276	1.691	50	20	DDGD	
O=C(O)c1cc2cc(C=NNC(=O)N3CCOCC3)ccc2o1	1776039798	HHFBIITUUTZNOG-UHFFFAOYSA-N	317.301	1.507	50	20	DDGD	
C[C@H]1C[C@@H]1C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1	5694171	VZBVYHNQPMVDDI-KWQFWETISA-N	310.737	1.300	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2n[nH]c3ccccc3c2=O)c1	152352217	HCDPCGZSQZRRJO-UHFFFAOYSA-N	305.297	1.552	50	20	DDGD	
C[C@@H]1CCC[C@@H](CC(=O)NNC(=O)C(=O)Nc2ccccn2)C1	152098686	DLEOWEMBMYPKCQ-VXGBXAGGSA-N	318.377	1.384	50	20	DDGD	
O=C(Cn1nnc2ccccc2c1=O)NNc1ccccc1F	153179861	DPONLEYGUQERIH-UHFFFAOYSA-N	313.292	1.074	50	20	DDGD	
O=C(CC1CCCC1)NCC(=O)NNc1ncccc1[N+](=O)[O-]	153471977	UJUBCXXAQCTHSN-UHFFFAOYSA-N	321.337	1.129	50	20	DDGD	
CCCCOc1ccccc1NC(=O)NNC(=O)CN(C)C	157674689	IHMAQLUJWQQVBP-UHFFFAOYSA-N	308.382	1.580	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cccs1)Cc1ccccc1	23694604	JLXWVAUNIACBQT-UHFFFAOYSA-N	303.387	1.641	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1ccc(F)cc1	510833	KDSKQOFUDUHHJJ-UHFFFAOYSA-N	318.304	1.674	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Cc2ccc(F)cc2)c1	8415309	VAGQBKZGMZXBHU-UHFFFAOYSA-N	302.305	1.838	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)cc1	171168397	NQKQPOLNZOYUFA-JTQLQIEISA-N	307.419	1.993	50	20	DDGD	
O=C(CSC[C@H]1CCCCO1)NNc1ccc(Cl)nn1	118504095	UKXWVORDQLXOFQ-SECBINFHSA-N	316.814	1.875	50	20	DDGD	
O=C(CN1CCCc2cc(Cl)ccc21)NNC(=O)C1CC1	112976746	LIKWMBDGEUCKME-UHFFFAOYSA-N	307.781	1.650	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCCN1CCc2ccccc2C1	178954905	QNMJXVWOJNRMJG-SAPNQHFASA-N	313.401	1.995	50	20	DDGD	
C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NNC(=O)CC(C)C	25635760	LWQVBEIIEBAENV-GFCCVEGCSA-N	315.373	1.695	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)COc1cccc([N+](=O)[O-])c1	103198182	YENHHIHMYRUIFK-UHFFFAOYSA-N	309.322	1.557	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1ccncc1)N1CCCCCC1	175799222	ZIHVLDINKCLABW-CYBMUJFWSA-N	304.394	1.036	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1cc(O)ccc1[N+](=O)[O-]	176379509	IOTHWKVXYIWQFO-WQLSENKSSA-N	319.317	1.750	50	20	DDGD	
O=C(NNC(=O)c1cccc(Br)c1)c1cc[nH]c1	174542993	AZBOPYCMBQLGJG-UHFFFAOYSA-N	308.135	1.852	50	20	DDGD	
O=C(CCc1cccnc1)NNC(=O)c1c[nH]c2ccccc12	24584706	QHLGDQLIOPTTJN-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
O=C(CN1CCCCCC1=O)NNc1cccc([N+](=O)[O-])c1	178832962	OGRIADLHTYKXBW-UHFFFAOYSA-N	306.322	1.441	50	20	DDGD	
CC(C)(NS(C)(=O)=O)C(=O)NNc1ccc(Cl)c(F)c1	175413010	LPEQJCQXEZPUAS-UHFFFAOYSA-N	323.777	1.250	50	20	DDGD	
O=C(CN(C1CC1)[C@H]1CCc2ccccc21)NNC(=O)C1CC1	112977576	OAAXUGRUKRAPIX-INIZCTEOSA-N	313.401	1.696	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C1(c2cccc(F)c2)CC1	115320473	XZHFEPZCUKCPMB-UHFFFAOYSA-N	301.321	1.657	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2cc(C(N)=O)ccc2C)n1	179806469	BYKZVEUBFMSYOB-UHFFFAOYSA-N	314.349	1.649	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2)CN1C1CC1	119101034	FYMHRQIDQGZEJL-DGCLKSJQSA-N	302.378	1.256	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccc(F)cc1)CC1CCCC1	69227734	CLFOHXMODKKWHU-UHFFFAOYSA-N	307.369	1.709	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)o1	175253028	AOMGVZFMRAYIKH-ZDUSSCGKSA-N	316.313	1.497	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NCCc1ccccn1	65145196	PBWOSGNYQPAAJV-UHFFFAOYSA-N	312.373	1.506	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cc([N+](=O)[O-])ccc1Cl	122777074	TURUNRRSKVAKOF-UHFFFAOYSA-N	311.660	1.934	50	20	DDGD	
O=C(CCCCc1c[nH]nn1)NNc1nnc(C2CC2)s1	128886161	STWVHOFMDKXUQB-UHFFFAOYSA-N	307.383	1.390	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(F)c(F)c1F	124822695	VVZFBNHLHCOANM-ZCFIWIBFSA-N	317.267	1.236	50	20	DDGD	
CCc1onc(C)c1NC(=O)C(=O)NNc1ccc(F)cc1	181363555	XJAOEAUEDVZHBN-UHFFFAOYSA-N	306.297	1.766	50	20	DDGD	
O=C(CN1CCCC2(CC2)C1)NNC(=O)c1ccccc1Cl	186955514	PDUDZVDSXLFATL-UHFFFAOYSA-N	321.808	1.977	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc([N+](=O)[O-])c2cccnc12	127475188	AVLFLQPZRWECBH-UHFFFAOYSA-N	303.278	1.107	50	20	DDGD	
CC[C@@H](C)C[C@@H](C)NC(=O)NNC(=O)Cn1nc(C)cc1C	74787636	PNZUCDVYFPRBQR-GHMZBOCLSA-N	309.414	1.655	50	20	DDGD	
O=C(Cc1ccoc1)NNC(=O)c1cc(-c2cccs2)n[nH]1	185795343	DRUJSWFTSZIKTK-UHFFFAOYSA-N	316.342	1.735	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@@H]2CCN(C3CC3)C2)n1	181422601	QPXISJVAFHXKSW-NSHDSACASA-N	305.382	1.201	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2c(F)cc(C#N)cc2F)n1	124105693	HHBWBMDNSLCJFA-UHFFFAOYSA-N	319.271	1.700	50	20	DDGD	
CSC[C@@](C)(O)CNC(=O)/C(C#N)=C\c1ccc(O)cc1	185706197	WWODJXNFHZVPPM-XCHKQJEOSA-N	306.387	1.529	50	20	DDGD	
COc1ccc(NNC(=O)Cc2cncs2)c([N+](=O)[O-])c1	187498636	NJRZMRYZHRLTDE-UHFFFAOYSA-N	308.319	1.746	50	20	DDGD	
CCNC(=O)c1ccc(NC(=O)NNC(=O)[C@@H](C)CC)cc1	184090576	VOGOPSHBLLERLE-JTQLQIEISA-N	306.366	1.635	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCSC(F)(F)F)n1	48856237	KXDSHYMQNSDFSG-UHFFFAOYSA-N	309.317	1.973	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)NC[C@@H](C)C#N)c1	182846226	XICLSTHDDUJUJJ-LBPRGKRZSA-N	304.350	1.172	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](C)Oc1cccc(F)c1	132115776	VEPUNBWFRKYICI-SECBINFHSA-N	306.297	1.535	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc3ncccc23)ncn1	131272618	CHNOLWOLCACIJD-UHFFFAOYSA-N	307.313	1.408	50	20	DDGD	
O=C(CN1CCCCCCC1=O)NNC(=O)c1ccccc1F	47907938	CCLHFFPKSNFBGG-UHFFFAOYSA-N	321.352	1.379	50	20	DDGD	
C[C@H](C#N)Oc1ccc(/C=C(\C#N)S(=O)(=O)N(C)C)cc1	195321471	AJHSGVAFTQPJHL-GYBQTFJISA-N	305.359	1.733	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ncc(C)s2)c(O)c1	194823018	HGSOJYRVEPLHPR-UHFFFAOYSA-N	306.347	1.932	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1ccc(-n2cccn2)cc1	195322575	ZVBDGEHVFPNUEP-UVTDQMKNSA-N	302.359	1.628	50	20	DDGD	
CCN(CC)CC(=O)NNC(=O)NCc1ccc(Cl)cc1	191614011	PACAHDMWSWEEEF-UHFFFAOYSA-N	312.801	1.512	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CCc1nc(C2CCCC2)no1	134026032	GZSYATTXUJHEBO-UHFFFAOYSA-N	308.382	1.853	50	20	DDGD	
Cc1cnn(CCC(=O)NNC(=O)c2ccc3ccccc3n2)c1	80215433	XPCJMQDTZASHPL-UHFFFAOYSA-N	323.356	1.591	50	20	DDGD	
O=C(NCCn1ccnc1)NNC(=O)c1ccc2ccccc2n1	43312150	FEUXGZJIKSBTAF-UHFFFAOYSA-N	324.344	1.076	50	20	DDGD	
O=C(CCSc1ccccn1)NNC(=O)Cc1ccncc1	87357546	NLOBOGLVXQSYPC-UHFFFAOYSA-N	316.386	1.349	50	20	DDGD	
COc1cc(Cl)c(Cl)cc1C(=O)NNC(=O)C(C)(C)O	192919002	UJPFPOARIYBPMR-UHFFFAOYSA-N	321.160	1.534	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2ncccc2C)cc1	194238452	PLVDVUJVOQULCN-UHFFFAOYSA-N	314.345	1.930	50	20	DDGD	
CCS(=O)(=O)CC(=O)NNc1cccc(Br)c1	97106308	KPAAJMCMFFZRBV-UHFFFAOYSA-N	321.196	1.327	50	20	DDGD	
COC[C@@H](NC(=O)NNc1cccnn1)c1ccc(F)c(F)c1	91106545	TZZNQQSUDXENJW-GFCCVEGCSA-N	323.303	1.769	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)c1cnn(C)c1)c1ccccc1	265396666	NULVQABKXYJXJA-LLVKDONJSA-N	301.350	1.168	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCCc3cn[nH]c32)s1	268867170	KVSLZUOANQMDQP-SNVBAGLBSA-N	319.390	1.801	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	269496778	PYCWUCIHFYHFKO-NWDGAFQWSA-N	310.375	1.115	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@@H]1CSCCS1	268947171	HSIJEUGBGRDJHN-QMMMGPOBSA-N	312.445	1.983	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)C[C@@H]1CSCCS1	269689732	IVGLEDGUMXKPMP-LLVKDONJSA-N	310.444	1.995	50	20	DDGD	
CCCCCOCC(=O)NNC(=O)COCc1ccccc1	265587443	FBKCJQJEMFJRMR-UHFFFAOYSA-N	308.378	1.557	50	20	DDGD	
O=C(NCCOCC1CC1)NNC(=O)c1cc2ccccc2o1	267386187	WBGJPUNATZVNAY-UHFFFAOYSA-N	317.345	1.803	50	20	DDGD	
COC(C)(C)CC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	278697167	FPXUHJOPJIJDEU-SNVBAGLBSA-N	312.341	1.556	50	20	DDGD	
COC[C@@H](NC(=O)NNc1c(F)cccc1F)[C@@H]1CCCO1	279828743	ZHDFPYOGDLAIFY-NEPJUHHUSA-N	315.320	1.785	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCOc1ccccc1[N+](=O)[O-]	274544483	SYBKKFTVOYFJBZ-UHFFFAOYSA-N	310.310	1.056	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C1CCC1)c1ccc([S@](C)=O)cc1	270453695	PPCASWHODGTHST-MGUXCZDKSA-N	323.418	1.616	50	20	DDGD	
CNC(=O)c1cccc(NC(=O)[C@H](C)N2CC=C(C#N)CC2)c1	272618670	IMHYMZNQDXHJON-LBPRGKRZSA-N	312.373	1.529	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1c(F)cc(F)cc1F	274201502	RPGYIZQQUUKZIU-UHFFFAOYSA-N	317.267	1.236	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@]12CCC(=O)N1c1ccccc1S2	367664509	DTFPBUSNEIBFRB-AWEZNQCLSA-N	321.358	1.345	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1ccccc1CSC	276127135	IDDZJDFODFBLGD-UHFFFAOYSA-N	324.406	1.181	50	20	DDGD	
C[C@H]1C[C@H](N2CCCC2)CN1CCI	375784961	ABYXVPBXKPPMIH-QWRGUYRKSA-N	308.207	1.980	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@@H]1CCCc2cccnc21	277975436	NVZPVNCYOBOULU-GFCCVEGCSA-N	308.345	1.688	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NC1CC1)c1cc(F)cc(C#N)c1	285083285	MERDXKCSJOCWSA-UHFFFAOYSA-N	304.325	1.468	50	20	DDGD	
COCC1(C(=O)NNc2nc(-c3ccncc3)no2)CCC1	284005177	QMFMSFPGWODCKB-UHFFFAOYSA-N	303.322	1.391	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	281155213	OSTWJXZQHGCHCM-MRXNPFEDSA-N	316.361	1.653	50	20	DDGD	
CCN(CC)C(=O)CCCC(=O)NNC(=O)Nc1ccccc1	282700437	FUXRXOPVOICLLH-UHFFFAOYSA-N	320.393	1.878	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C[C@@H](C)CC(=O)OC)c1ccccc1	289518273	AZSBLAJUHMIBDE-OCCSQVGLSA-N	320.389	1.917	50	20	DDGD	
O=C1CCC[C@H](C(=O)NNc2cc(Cl)ccc2[N+](=O)[O-])N1	296262474	XIQSATPKIMJDDT-MRVPVSSYSA-N	312.713	1.360	50	20	DDGD	
CCCNC(=O)/C(C#N)=C/c1cccc(O[C@H](C)C(=O)O)c1	299338390	TXOOOKNHAYMNSD-KAQJVSAMSA-N	302.330	1.972	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)/C=C\c1cccs1	808046252	YCADONCOIAHSQO-HJWRWDBZSA-N	312.391	1.698	50	20	DDGD	
C[C@H](O)c1ccc(CNC(=O)NNC(=O)[C@H]2CCCCO2)cc1	297819100	XJGAKPOOFADQNR-SMDDNHRTSA-N	321.377	1.139	50	20	DDGD	
COc1cc(CCC(=O)NNC(=O)CC2CC2)cc(OC)c1	294008867	BDBZFIQVKHFMRC-UHFFFAOYSA-N	306.362	1.584	50	20	DDGD	
COc1cccc(NNC(=O)C[C@H]2COc3ccccc3O2)n1	296824937	RCMVAEMYOOIOHK-NSHDSACASA-N	315.329	1.763	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1sccc1C#N	293655525	IEKOFTFLKFJIJP-UHFFFAOYSA-N	301.418	1.686	50	20	DDGD	
CCC(CC)n1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)n1	293948133	PWIAIQUGIDWGQZ-GWCFXTLKSA-N	308.382	1.573	50	20	DDGD	
CN(C)Cc1ccsc1C(=O)NNC(=O)[C@@H]1CCCCO1	295807030	WGMAMGWWPLHLQV-NSHDSACASA-N	311.407	1.140	50	20	DDGD	
CCc1nc(CNC(=O)[C@@H](Br)C(C)(C)C)n[nH]1	295505539	GZFMGFFRDLFOQQ-SECBINFHSA-N	303.204	1.793	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccnc2c1ncn2C	805153069	XVQXVHVARDQKTM-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
COCc1nc(CNC(=O)NNc2ncncc2F)cs1	293143590	AOMSNLQOHOFHIY-UHFFFAOYSA-N	312.330	1.045	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2cc(C)n(C)c2C)c1	298098060	KCMVFVRINQJYEO-UHFFFAOYSA-N	315.373	1.790	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1nc(O)cc(C(F)F)n1	809984805	AKZIWWSYBWRBSV-RXMQYKEDSA-N	320.321	1.158	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1ccc2c(c1)CC(C)(C)O2	295948363	JDKPXJPYLRTGAW-UHFFFAOYSA-N	314.363	1.292	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)c1	803437669	PGNNFSFTNDRNIQ-UHFFFAOYSA-N	310.313	1.816	50	20	DDGD	
CCCN(CC(=O)NNC(=O)Cc1ccccc1C)C1CC1	297736490	CHMDTPDWUDRVKU-UHFFFAOYSA-N	303.406	1.559	50	20	DDGD	
CC[C@H]1CCC[C@@H]1C(=O)NNC(=O)COc1ccccc1O	294426222	AAAZZJSPKPKSFN-RYUDHWBXSA-N	306.362	1.745	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc(O)cs1	807370882	WHUJBXZNZLZXTI-UHFFFAOYSA-N	302.352	1.004	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1cnn2ncccc12	805475761	WUQHSGIXJZNPNL-UHFFFAOYSA-N	309.333	1.544	50	20	DDGD	
C[C@H](CCc1ccccc1)NC(=O)NNC(=O)[C@H]1CCCCO1	296338879	YRFYSJRVXGFGRS-UKRRQHHQSA-N	319.405	1.907	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)[C@]23CCC(=O)N2CCS3)c1	811974189	OWDVJQNSYDWFGG-OAHLLOKOSA-N	305.403	1.812	50	20	DDGD	
Cn1nncc1NNC(=O)[C@H]1CCCN(Cc2ccccc2)C1	816771032	VYLXNYTWCIFBPN-AWEZNQCLSA-N	314.393	1.170	50	20	DDGD	
O=C(COC(=O)CCCC1CC1)NNC(=O)c1ccccc1	812602355	RHVUYAUBZSRSCV-UHFFFAOYSA-N	304.346	1.571	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1)NOC/C=C\Cl	812703424	BVSHWVOCSMSEJV-BHQIHCQQSA-N	304.133	1.968	50	20	DDGD	
O=C(NN=Cc1cc(O)cc(C(F)(F)F)c1)C(=O)NC1CC1	811636914	PWEOCJUMAHURIG-UHFFFAOYSA-N	315.251	1.140	50	20	DDGD	
Cc1ccccc1CC(=O)NN=C1CCN(CC(C)(C)O)CC1	814223208	DVBFPVAXGJQAIH-UHFFFAOYSA-N	317.433	1.876	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)COc1cc(C)cc(C)c1	812533253	DMCLCIWVEUASPD-ZIAGYGMSSA-N	322.405	1.748	50	20	DDGD	
Cc1nn(C)c(OCC(F)(F)F)c1C=NNC(=O)CC1CC1	814988854	ZGFZVZHKUMFISP-UHFFFAOYSA-N	318.299	1.920	50	20	DDGD	
O=C1COc2cc(C(=O)NNc3cccc(Cl)n3)ccc2N1	817007017	JROUXPAHARBROF-UHFFFAOYSA-N	318.720	1.823	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC[C@@H]2C[C@H]2C2CCC2)n1	824725130	RJANZWRORAPRNY-KBPBESRZSA-N	319.409	1.267	50	20	DDGD	
CCOC(=O)NNC(=O)C1(Cc2ccc(F)cc2)CCOCC1	497166026	YVELQSVEVHZOPW-UHFFFAOYSA-N	324.352	1.942	50	20	DDGD	
CC(=O)NC1CCC(NC(=O)NNc2cccc(C#N)c2)CC1	726276166	LFPRDUMWUTWOLA-UHFFFAOYSA-N	315.377	1.632	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cc(Cl)ncc1F	829557815	RFFQMJKHFYNIRM-UHFFFAOYSA-N	301.705	1.062	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)/C=C\[C@H]2CCOC2)c1	493420565	ODQORCHFBXNHEJ-DGMVEKRQSA-N	303.362	1.106	50	20	DDGD	
CCNC(=O)N(C)N=C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2	496002876	DDAKPCQSJQXZQT-IAQYHMDHSA-N	310.398	1.891	50	20	DDGD	
CN(NC(=O)Nc1cccn(CC(F)(F)F)c1=O)C1CC1	824232848	GEZOZBQZZUWETO-UHFFFAOYSA-N	304.272	1.541	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)C1(C(=O)C2CC2)CC1	825756033	FNFJGTHCUUOBHT-UHFFFAOYSA-N	316.357	1.232	50	20	DDGD	
CCn1nc(C)c(CNC(=O)NNc2ncc(F)cc2F)n1	824718169	IVDWIYYDCHBNJA-UHFFFAOYSA-N	311.296	1.106	50	20	DDGD	
COC(=O)[C@@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(C)(C)C	825984905	QQLZIUFLECNGBR-HUMZTAOYSA-N	304.350	1.031	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cc(Cl)c(F)cc1Cl	825708450	IYAOFKZPNXDEQD-UHFFFAOYSA-N	308.140	1.455	50	20	DDGD	
CC(C)c1ccc(OCCC(=O)N2CC[C@@H](B(O)O)C2)cc1	585075836	JOWZEEHLWIRRQX-CQSZACIVSA-N	305.183	1.654	50	20	DDGD	
CC/C=C(/C)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	825219886	NLVLCMOQHGEJGJ-DAXSKMNVSA-N	307.745	1.715	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(-c2ccccc2Cl)[nH]n1	823977079	NVPJOHQQIIUMIQ-SECBINFHSA-N	308.769	1.688	50	20	DDGD	
COc1ccc2c(c1)CCC(S(=O)(=O)NNC(=O)C(C)C)=C2	829635514	YUMSTWHXMOHWRV-UHFFFAOYSA-N	324.402	1.589	50	20	DDGD	
O=C(CCc1cccnc1Cl)NNC(=O)NC1CCCC1	824343026	QZZCECYKZHHFAZ-UHFFFAOYSA-N	310.785	1.941	50	20	DDGD	
CCCc1c(C(=O)NN(C)[C@@H](C)CO)cnn1-c1ccccc1	823934602	IHOPMUYJBJOTLI-ZDUSSCGKSA-N	316.405	1.782	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@H]1C[C@H]1C1CC1	826445183	JYRJWSGARTXVPD-IUCAKERBSA-N	319.756	1.404	50	20	DDGD	
C[C@H]1CN(C)CC1=NNC(=O)CCCNC(=O)OC(C)(C)C	494122422	BCKXZCKVPOWIPZ-NSHDSACASA-N	312.414	1.345	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1c(CC)cccc1CC	901967038	WTLFTKYHIXPFEO-UHFFFAOYSA-N	322.430	1.924	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2ccc(N3CCOCC3)s2)cn1	735413608	OSUHHBDWTFMWMA-UHFFFAOYSA-N	319.390	1.082	50	20	DDGD	
CO[C@@H](C)CNC(=O)NNC(=O)COc1ccc(C)c(C)c1	821468782	ASYIAGLTWSIFOF-LBPRGKRZSA-N	309.366	1.048	50	20	DDGD	
COc1ccc(C=NNC(=O)c2cnn(C)c2)cc1OC(F)F	735415539	VSCMFVPGNVATQE-UHFFFAOYSA-N	324.287	1.794	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cnc(Br)cc1C	494553564	FXWXVSDMKCQKTK-UHFFFAOYSA-N	317.143	1.935	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNC(=O)Nc1ccccc1	495723015	YSFJDODFNKHGOS-UHFFFAOYSA-N	308.338	1.366	50	20	DDGD	
O=C(O)CCCNC(=O)NNc1ccc(OC(F)F)cc1	738576564	CWKXAHVLTGFILU-UHFFFAOYSA-N	303.265	1.779	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2ccc(O)c(O)c2)ccn1	731561998	HNAIVYHHKQCKJV-UHFFFAOYSA-N	300.318	1.323	50	20	DDGD	
C[C@@]1(NC(=O)c2cccc(B(O)O)c2)CCCc2ccccc21	584971748	DGMLNNRGIDOMRB-GOSISDBHSA-N	309.174	1.348	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CCCC(=O)N2C)cc1F	909358957	CUGNTZSRJRZAOS-LBPRGKRZSA-N	323.324	1.066	50	20	DDGD	
Cc1c(C(=O)N2CC[C@@H](B(O)O)C2)cnn1C1CCCCC1	585065612	ZUVMUQXKBUBLRZ-GFCCVEGCSA-N	305.187	1.386	50	20	DDGD	
CCOCC(=O)NN=Cc1ccccc1O[C@@H](C)C(=O)OC	901185582	REBVUSYHFUSWRZ-NSHDSACASA-N	308.334	1.114	50	20	DDGD	
CCn1nc(C2CC2)cc1C(=O)NNc1nc2ccccn2n1	907698758	UYMYJSTWNICXTH-UHFFFAOYSA-N	311.349	1.580	50	20	DDGD	
CCN(CC(=O)NNC(=O)C(C)C)Cc1ccc(Cl)cc1	732259236	AVAWJPOVMYJZHX-UHFFFAOYSA-N	311.813	1.965	50	20	DDGD	
Cc1c(NNC(=O)N[C@H]2CC23CCNCC3)cccc1[N+](=O)[O-]	831173632	RBKFTDCPEGBSPO-ZDUSSCGKSA-N	319.365	1.671	50	20	DDGD	
C[C@@]1(C(=O)NCCc2nnc3ccccn23)C[C@H]1Br	905397481	XEFBNZMELIGISQ-NOZJJQNGSA-N	323.194	1.562	50	20	DDGD	
CCn1cc(C=NNC(=O)[C@@H](C)CN2CCCCCC2)cn1	732528708	VWBXNYUCAFYIJC-AWEZNQCLSA-N	305.426	1.865	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1ccc(-c2nn[nH]n2)cc1	735593840	MQFPISGOKQWQLI-UHFFFAOYSA-N	317.353	1.456	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc(F)c(Cl)c1	901966804	STAPKZSHCXQHBJ-UHFFFAOYSA-N	318.757	1.592	50	20	DDGD	
C[C@@]1(C(=O)Nc2cccc(-n3cnnn3)c2)C[C@H]1Br	905548352	UJJHMGFRTRXDEY-ZYHUDNBSSA-N	322.166	1.774	50	20	DDGD	
Cc1nc(-c2ccccc2)sc1C(=O)N1CC[C@@H](B(O)O)C1	585068592	CJSCFSLSXORJAP-GFCCVEGCSA-N	316.191	1.807	50	20	DDGD	
CC(C)(C=NNC(=O)[C@@H]1CCS(=O)(=O)C1)Oc1ccccc1	834937935	UZXNPDSSVAHHQW-GFCCVEGCSA-N	324.402	1.381	50	20	DDGD	
C[C@@H]1CCC[C@@H](NC(=O)NNC(=O)N=c2cc[nH]cc2)[C@@H]1C	837329520	MXOPWUQKBQQZEI-NQBHXWOUSA-N	305.382	1.664	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)COc2ccccc2C#N)cn1	732711339	KIMVXXBUWODTJJ-UHFFFAOYSA-N	311.345	1.865	50	20	DDGD	
C[C@H](NC(=O)[C@]1(C)C[C@@H]1Br)c1nnc2n1CCC2	906379042	XEESTYGYSDZFHL-YVZVNANGSA-N	313.199	1.575	50	20	DDGD	
CN(C)C(=O)C1CCC(C(=O)NN=c2cc[nH]cc2Cl)CC1	832242376	CJTZGMHWXXQNNH-UHFFFAOYSA-N	324.812	1.495	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)CC3COC3)n[nH]2)cc1	900221206	LJRMZPGZKIDUKJ-UHFFFAOYSA-N	314.345	1.183	50	20	DDGD	
C=CC(C)(C)CNC(=O)NNC(=O)COc1ccccc1O	836592375	IERBYDHLCHYFAE-UHFFFAOYSA-N	307.350	1.314	50	20	DDGD	
C[C@H](CN(C)C(=O)c1cc(B(O)O)ccc1F)C1CCCCC1	585011349	ITNDSVDEPHDFHK-GFCCVEGCSA-N	321.201	1.794	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)COC2CCOCC2)cc1	735244784	INHIKDIPQSCTSZ-UHFFFAOYSA-N	306.362	1.206	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNC(=O)c1ccc(Cl)cc1	839467217	QEALFHYVPFDWTN-LLVKDONJSA-N	311.769	1.249	50	20	DDGD	
N#CC[C@@]1(O)CCN(S(=O)(=O)c2ccc(CCl)cc2)C1	916614453	HGMRUGBWOPMKGF-CYBMUJFWSA-N	314.794	1.465	50	20	DDGD	
CCc1nnsc1C(=O)NNc1ccc(C(=O)O)cc1OC	833679322	PRPVLJAAVIQYGM-UHFFFAOYSA-N	322.346	1.564	50	20	DDGD	
Cc1cnc(C=NNC(=O)[C@@H](C)CN2C[C@H](C)O[C@H](C)C2)s1	834935823	WRAZICCVKJMFOC-SDDRHHMPSA-N	324.450	1.647	50	20	DDGD	
CC[C@H]1C[C@@H](C)CN1CC(=O)NNC(=O)Cc1ccccc1C	839505380	QOAZSSABAXTZNW-CJNGLKHVSA-N	317.433	1.805	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCC(C)(C)CC#N)c1	838755585	OQQBTPXZDUCWDD-UHFFFAOYSA-N	318.377	1.644	50	20	DDGD	
CC(C)[C@H](C(=O)NN(C)[C@@H](C)CO)N1Cc2ccccc2C1=O	911445535	XNAVSCGNXPZLNM-SWLSCSKDSA-N	319.405	1.011	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1c[nH]c2ccccc12	916362050	IBDDNDVLFYXPAA-CYBMUJFWSA-N	314.389	1.586	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C2(C)CCOCC2)ccc1F	837036993	KLWQZWHSGFFIGH-UHFFFAOYSA-N	310.325	1.872	50	20	DDGD	
C[C@@H](C(=O)O)n1cccc1C=NNC(=O)CCc1ccco1	833406453	GTKWFBZXIWFWMK-NSHDSACASA-N	303.318	1.810	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNC(=S)NC(C)(C)C)ccc1C	918690107	JZSJISILXXHDJZ-UHFFFAOYSA-N	322.434	1.861	50	20	DDGD	
CO[C@@H](C1CC1)[C@@H](C)NC(=O)NNC(=O)c1ccc(C#N)cc1	836266229	VAYJIOZNNAPAHA-QMTHXVAHSA-N	316.361	1.316	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)O)c2)o1	830225905	ZYJXNJDVBYOYTI-UHFFFAOYSA-N	303.274	1.753	50	20	DDGD	
CCc1nc(CC(=O)NNc2ccnc(N(C)C)n2)cs1	740112517	LZHVUALHEFDZPD-UHFFFAOYSA-N	306.395	1.247	50	20	DDGD	
CC(=NNC(=O)C1CCN(c2ncccn2)CC1)[C@H]1CCOC1	741764285	DROLCKVPYAAGQT-AWEZNQCLSA-N	317.393	1.222	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)[C@H]1COc2ccccc2O1	749756973	LHDHEEBWXMGEQD-BXKDBHETSA-N	309.391	1.120	50	20	DDGD	
C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)NNC(=O)c1ncccn1	841592339	OPIHKZSTAOHSFX-NWDGAFQWSA-N	319.409	1.978	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)c1)c1ccc(CO)cc1	913508825	BRXLWJZZFQWQMA-UHFFFAOYSA-N	304.733	1.907	50	20	DDGD	
COc1ccc(OCC(=O)NN=C(C)c2cn(C)nc2C)cc1	917533904	QUNUENPXGKKAAL-UHFFFAOYSA-N	316.361	1.656	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@H](CO)CC1CCCCC1	841587635	UXUIYMFGXXZXEY-AWEZNQCLSA-N	311.426	1.838	50	20	DDGD	
CC(=NNC(=O)C(N)=O)c1ccc(-c2ccccc2F)s1	914772360	RYDXSRBBLLZPBZ-UHFFFAOYSA-N	305.334	1.880	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)NC2CC2)ccc1OC(C)C	848970708	CIUCHGZKFKAOLZ-UHFFFAOYSA-N	319.361	1.783	50	20	DDGD	
CCn1ccc(C(=O)NNC(=O)COc2ccc(C)cc2)n1	843756165	SJTUDVAVJHDBAU-UHFFFAOYSA-N	302.334	1.051	50	20	DDGD	
CC(=NNC(=O)C(=O)NC(C)C)c1ccc(OC(F)F)cc1	744812478	MQEBDOFNFHUYFF-UHFFFAOYSA-N	313.304	1.653	50	20	DDGD	
N#CSCCCNS(=O)(=O)c1ccc2c(c1)C(=O)CC2	917000015	QHOZLDRSOQHENY-UHFFFAOYSA-N	310.400	1.698	50	20	DDGD	
CCc1cccc(OCC(=O)NNc2ncnc3[nH]cnc23)c1	743471433	HKCYFYDAYDRVSM-UHFFFAOYSA-N	312.333	1.437	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cnc(S)n1-c1ccccc1	910176188	ZUOCAVXEHXWPNY-JTQLQIEISA-N	306.391	1.118	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)N[C@H]1CCNC1	841938383	CSOKXQWOPCGBPY-ZZTKBFGJSA-N	320.437	1.285	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H](CN1CCCC1)c1ccccc1	910157282	QKPSNVRBCKXTGR-HOCLYGCPSA-N	305.422	1.210	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc3nn[nH]c3c2)n1	748338210	BLMXMJHGIPSZLT-UHFFFAOYSA-N	303.713	1.467	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)NCc2ccco2)c(O)n1	746166778	GVBYCPDGWSOQRI-UHFFFAOYSA-N	304.306	1.141	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C[C@H](C)n1ccnc1	844348914	DGWTYUXAEDBUKA-LBPRGKRZSA-N	316.361	1.233	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)COc2ccc(F)cc2)[nH]1	747628613	PNFYLGZQTUFXGJ-UHFFFAOYSA-N	319.292	1.470	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CC(C)(C)c1ccccc1	843650075	ZJJOHNXFRVPLDJ-GXTWGEPZSA-N	304.390	1.927	50	20	DDGD	
COC(=O)c1cnc(C(C)=NNC(=O)[C@H]2CCO[C@H]2C)s1	842550634	ZLEPVDJDIPKFAH-IUCAKERBSA-N	311.363	1.195	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1	755966068	VNXYNLYJDQPSNX-CYBMUJFWSA-N	307.350	1.807	50	20	DDGD	
CC(C)(O)C(=O)NNc1ccc([N+](=O)[O-])cc1Br	757600285	YDMGSWSSBBQSCC-UHFFFAOYSA-N	318.127	1.571	50	20	DDGD	
C[C@]1(CNC(=O)N(CCO)C2CCC2)C[C@H]1Br	856956264	WQMZMDCTXKAAHX-ZYHUDNBSSA-N	305.216	1.716	50	20	DDGD	
CC(Cn1cncn1)=NNC(=O)CCCNC(=O)OC(C)(C)C	853325280	FFOIEFDRQPRQEN-UHFFFAOYSA-N	324.385	1.075	50	20	DDGD	
CCC(=NNC(=O)c1nnc(O)c2ccccc12)c1ccn(C)n1	758086948	ZRSQBDAETRJBNO-UHFFFAOYSA-N	324.344	1.613	50	20	DDGD	
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)c2ccccc2O)C1	854314323	LPDRLNQNIKARMI-NSHDSACASA-N	320.393	1.209	50	20	DDGD	
CC[C@H](C)N(CC)CC(=O)NNC(=O)Cc1ccccc1C	852291785	ZPQGOURIDNXVHD-AWEZNQCLSA-N	305.422	1.805	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CN2CCC[C@@H]2C2CC2)c1	756508573	LUAPYKVUWKADRF-OAHLLOKOSA-N	312.373	1.194	50	20	DDGD	
Cn1ncc(C2CC2)c1C(=O)NNC(=O)OCC(F)(F)F	856026008	IUDKRQPYEAEMRH-UHFFFAOYSA-N	306.244	1.231	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1ccc2c(c1)CCCO2	853297074	SBRLEIAQUSBXIC-UHFFFAOYSA-N	303.362	1.777	50	20	DDGD	
Cc1nnc(CN(C)C(=O)NC[C@@]2(C)C[C@H]2Br)o1	856892309	DSFMTDKPXALUBR-LDYMZIIASA-N	317.187	1.693	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccccc1-n1cccc1	920119591	WLMXSPJMHVMKMX-UHFFFAOYSA-N	313.357	1.665	50	20	DDGD	
O=C(NNc1cccnn1)N[C@H]1CCN(C2CCCCC2)C1	852589581	XPTSZKPIHSXHKT-LBPRGKRZSA-N	304.398	1.510	50	20	DDGD	
CCC/C(C)=C\C(=O)NNC(=O)c1nnc(O)c2ccccc12	920285854	WECKKWSSPMPCRL-KTKRTIGZSA-N	314.345	1.843	50	20	DDGD	
CC(C)(NC(=O)C(F)(F)F)C(=O)NNc1ccnc(Cl)c1	855466664	SWKROIDJFITDAG-UHFFFAOYSA-N	324.690	1.635	50	20	DDGD	
Cc1cnccc1C=NNC(=O)CCCNC(=O)C(C)(C)C	853408859	ZUCPJEXGVUYKJK-UHFFFAOYSA-N	304.394	1.783	50	20	DDGD	
CC(C)(C)n1nnc(CNC(=O)NNc2ccc(Cl)cn2)n1	852402794	PYZRWPHCCNWXJP-UHFFFAOYSA-N	324.776	1.303	50	20	DDGD	
C[C@@]1(CNC(=O)NCC2(O)CCOCC2)C[C@@H]1Br	856956978	XQUHRNOOLKBALH-ONGXEEELSA-N	321.215	1.001	50	20	DDGD	
Cn1c(CC(=O)NN=Cc2cnc3n2CCC3)nc2ccccc21	853270567	BIVDGSUIHIKAGE-UHFFFAOYSA-N	322.372	1.409	50	20	DDGD	
Cn1cncc1CCC(=O)NC[C@@]1(C)C[C@@H]1Br	857390422	DVUFLRVWBILUAU-CMPLNLGQSA-N	300.200	1.642	50	20	DDGD	
Cc1nnc(CC(=O)NNc2cc(C(F)(F)F)ccn2)o1	857513617	ITKUOQYCJVNOHB-UHFFFAOYSA-N	301.228	1.478	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)CCN2CCCCCC2)c[nH]1	753162821	RPOODHLLMFBAFY-UHFFFAOYSA-N	320.393	1.518	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1cnn(-c2ccccn2)c1	756707189	UHNWUIHAHOQYBK-UHFFFAOYSA-N	323.316	1.129	50	20	DDGD	
CN(Cc1cnn(C)c1)C(=O)NC[C@]1(C)C[C@@H]1Br	856899102	AMQIXLOQIYSTGK-JQWIXIFHSA-N	315.215	1.735	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)OCC(F)(F)F)c1ccccc1	856021286	CLCOZDCFFMNPSU-VIFPVBQESA-N	306.240	1.694	50	20	DDGD	
CC(C)CCOc1ccc(C(=O)NNC(=O)c2ncc[nH]2)cc1	854199070	MYTYGGLYSSSFPX-UHFFFAOYSA-N	316.361	1.909	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2nn(C)c3ccccc23)nn1	759358377	WMNXLAUJGROQQA-UHFFFAOYSA-N	311.349	1.498	50	20	DDGD	
Cc1cccc(NNC(=O)C(=O)Nc2c(C)noc2C2CC2)n1	861959823	IMGZMRCXBDUWSD-UHFFFAOYSA-N	315.333	1.646	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1ccnn1CC1CCC1	867433284	FLKLINXQNQQIOG-UHFFFAOYSA-N	305.769	1.910	50	20	DDGD	
CCn1cc(C(=O)NNc2nc3ccccn3n2)c(C2CC2)n1	867754980	XVKPROCZDRVDOP-UHFFFAOYSA-N	311.349	1.580	50	20	DDGD	
CC[C@H](C(=O)NNCC(F)(F)C(F)(F)F)N(CC)CC	863095607	SCZBVQQHOCSZKC-MRVPVSSYSA-N	305.291	1.925	50	20	DDGD	
CC(C)(CC(=O)NNC(=O)c1ccnnc1)c1ccc(F)cc1	868931407	ZLSFPAOICYLBMP-UHFFFAOYSA-N	316.336	1.745	50	20	DDGD	
Cc1cc(=NNC(=O)C(=O)c2cnn(C(C)(C)C)c2)cc[nH]1	862510797	TXNBGDXWYOESCC-UHFFFAOYSA-N	301.350	1.089	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)COc1cc(C)ccc1C	864460951	JMRYSUMKSQOPNM-UHFFFAOYSA-N	308.378	1.645	50	20	DDGD	
COc1ccc([C@@H](C)C(C)=NNC(=O)[C@@H]2CCC(=O)N2)cc1	863148478	CUNOALIAJGHBGH-HZMBPMFUSA-N	303.362	1.569	50	20	DDGD	
CC[C@@H]1C(=O)N(CC)CCN1S(=O)(=O)CC(C)(C)CCl	867134664	PPTHNEWCILTIPT-LLVKDONJSA-N	324.874	1.524	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C1CSC1	867853039	IANOOJVEPIFTKK-QMMMGPOBSA-N	314.794	1.618	50	20	DDGD	
O=C(Cc1nc[nH]n1)NNC(=O)CC12CC3CC(CC(C3)C1)C2	864474206	LRHFXHVVIZWAKT-UHFFFAOYSA-N	317.393	1.101	50	20	DDGD	
CCN(C)C(=O)c1cccc(NCc2ccccc2B(O)O)c1	864038663	YKOYIUGJCWQDAT-UHFFFAOYSA-N	312.178	1.070	50	20	DDGD	
CC(C)(C)O[C@H](C(=O)NNC(=O)c1cn[nH]c1)c1ccccc1	862472941	XVZYFXNTVJOWBU-ZDUSSCGKSA-N	316.361	1.727	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)OCCOC(=O)N(C)C)c1	1116637648	JJJURUTUMMMVDA-LCYFTJDESA-N	318.329	1.844	50	20	DDGD	
Cc1conc1C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	864493509	BWQLMCSRCIZQSW-GFCCVEGCSA-N	317.345	1.828	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc(-c2cc[nH]n2)s1	761417832	AVJCJKRNAZKHPF-UHFFFAOYSA-N	315.358	1.552	50	20	DDGD	
Cn1ccnc(NNC(=O)c2cccc([C@H]3CCOC3)c2)c1=O	762254844	IXOLPCNNUMLRMD-ZDUSSCGKSA-N	314.345	1.041	50	20	DDGD	
Cc1nn(C)cc1CCC(=O)NNc1cccc([N+](=O)[O-])c1	1116350618	HVPRFPLRSPIRLH-UHFFFAOYSA-N	303.322	1.713	50	20	DDGD	
CCC1(CC)C(=NNC(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1OC	762605732	YBUZQGQPEYPIAH-ZYHUDNBSSA-N	316.423	1.118	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H](C)CN2C[C@@H](C)O[C@H](C)C2)nc1	761804858	STPNCRUAIKWTMF-RBSFLKMASA-N	318.421	1.585	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)C(=O)Nc1cccnc1C	763957954	ODZHGNPYFODBQL-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H]1CCCN1Cc1ccccc1	1115910542	MTHIZSZDBMQCEU-CQSZACIVSA-N	320.462	1.555	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNc1nccnc1OC	764466019	RTXVPHXCYPACQQ-UHFFFAOYSA-N	318.333	1.406	50	20	DDGD	
CC(C)(C)c1ccc(C(F)(F)C(=O)NNC(=O)CO)cc1	879395880	ZYSRWSXXTNUOML-UHFFFAOYSA-N	300.305	1.216	50	20	DDGD	
CC[C@H](C)NC(=O)c1ccc(NC(=O)NN(C)CCOC)cc1	878415413	TVVKWVSCCZKLLX-LBPRGKRZSA-N	322.409	1.830	50	20	DDGD	
C=CCN(CC=C)[C@H](CNC(=O)NN(C)C(=O)OC)C(C)C	875088141	XZPXYZWQNXPFQM-CYBMUJFWSA-N	312.414	1.597	50	20	DDGD	
Cc1ccnc(O)c1C(=O)NNc1cccc(F)c1[N+](=O)[O-]	1116851479	HSOIPBMHBSUVNR-UHFFFAOYSA-N	306.253	1.900	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)CSC(C)C)nc1C	778425730	WCSRGEVTIINXPM-UHFFFAOYSA-N	312.395	1.546	50	20	DDGD	
Cc1cccc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)c1O	771974365	IUSVKNDZDKJKCQ-NSHDSACASA-N	322.361	1.439	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNc2cnnc3ccccc23)n1	878849098	HPDOPYBDEGEAEM-NSHDSACASA-N	310.361	1.914	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	772849015	JGOUZKPDNVRJHY-SNVBAGLBSA-N	320.324	1.271	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)C1SCCS1	874956166	NMWKGWFIHBQFBJ-UHFFFAOYSA-N	300.434	1.205	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cc2cc(OC)ccc2o1	779820748	JMCWVCMNEQQZIW-UHFFFAOYSA-N	305.290	1.248	50	20	DDGD	
COCCN(C)NC(=O)Nc1nc(C2CCOCC2)cs1	879554618	ZESUMAMSNJIPFE-UHFFFAOYSA-N	314.411	1.652	50	20	DDGD	
COCCOCC(=O)NN=Cc1cccc(Br)c1	872402379	GQKHQXFCQLUGTD-UHFFFAOYSA-N	315.167	1.562	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](C)OCc1cccc(C)c1	887153405	UKGAIQWQVOUIOS-AWEZNQCLSA-N	302.374	1.851	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)Cc2ccc(Cl)cc2)CCO1	776339890	VQEFUGWCSFLLKY-CMPLNLGQSA-N	310.781	1.845	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccc([N+](=O)[O-])cc1O	776120505	ZLZAHNSCQZPJEU-UHFFFAOYSA-N	307.184	1.014	50	20	DDGD	
O=C(CCOC1CCOCC1)NNc1ccc(F)c(F)c1	885113044	MRUWBKNSJURRLP-UHFFFAOYSA-N	300.305	1.994	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)COc1ccc(F)cc1)C(F)F	881015488	YNGWQGMRBIIEIC-SNVBAGLBSA-N	319.283	1.579	50	20	DDGD	
COc1ccc(CC(=O)NNc2ccc([N+](=O)[O-])cc2)nc1	789994172	MNMDCQLSPIVRSN-UHFFFAOYSA-N	302.290	1.684	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NC[C@@H]2CCC=CO2)c1	780735798	VGBNVDVBWZCYLB-AWEZNQCLSA-N	318.377	1.389	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(-c2cc[nH]n2)cc1	785849500	CGFTZGOWGPRJBL-UHFFFAOYSA-N	302.338	1.775	50	20	DDGD	
O=C1CCc2cc(C(=O)NNc3ncncc3Cl)ccc2N1	781818916	QOMYLEIPBGYLRH-UHFFFAOYSA-N	317.736	1.772	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)COc1ccc(C)c(C)c1	1120577428	ZMQCIMNFPHHHJX-HUUCEWRRSA-N	320.389	1.645	50	20	DDGD	
COc1ncccc1NC(=O)C(=O)NNc1ccc(Cl)nc1	784870547	YAXWPHBTCRZHPI-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
CCc1cnccc1[C@H](C)N[C@@H](C)C(=O)NNC(=O)CC(C)C	783017176	PWCBYDGZFOSWPQ-STQMWFEESA-N	320.437	1.877	50	20	DDGD	
COc1cc(C=NNC(=O)C(C)(C)O)ccc1OC(F)F	785462544	OLIOTIBHSRLWCM-UHFFFAOYSA-N	302.277	1.518	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cn(C)nc1C(F)(F)F	782818481	RKNXJOWDBIDDKN-UHFFFAOYSA-N	307.276	1.638	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CC(Oc2ccncc2)C1	787302599	KVHKBVQBUFXASF-ZROIWOOFSA-N	321.336	1.984	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CC[C@H]1CC[C@H](C)O1	788165243	YDFJUTYAKIBXNA-NWDGAFQWSA-N	316.398	1.271	50	20	DDGD	
O=C(C[C@@H]1CSCCS1)NNc1ncncc1Cl	781828981	GHDXVNLTIKLHPQ-SSDOTTSWSA-N	304.828	1.812	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@H]1COc2ccc(O)cc2O1	896147921	BMJIDILMBMLQQZ-GFCCVEGCSA-N	308.334	1.116	50	20	DDGD	
CC(=O)N[C@H](CCC(C)C)C(=O)NNC(=S)NC(C)(C)C	899999136	ANVHBQOASPQAED-LLVKDONJSA-N	316.471	1.221	50	20	DDGD	
CCCn1nc(C)c(C(=O)NNC(=O)C2CCOCC2)c1C	894103230	HENVNOIDUKPFAK-UHFFFAOYSA-N	308.382	1.098	50	20	DDGD	
CC(C)C(=O)NNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1	785022110	VRGGEZKNQRHXQI-LLVKDONJSA-N	313.398	1.483	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@H]2CCC=CO2)cc1	780747265	CNRNIMAHDZXGDX-CQSZACIVSA-N	303.362	1.886	50	20	DDGD	
NC(=O)[C@H]1CCC[C@H](C(=O)NN=c2cc[nH]c3ccccc23)C1	787999761	OMABYCXJHPMQTG-RYUDHWBXSA-N	312.373	1.392	50	20	DDGD	
CC(C)(C)c1cnc(NC(=O)C(=O)NNC(=O)CC2CC2)s1	789733917	XFMYAUWFIGFAST-UHFFFAOYSA-N	324.406	1.327	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCOC2(CCC2)C1)c1cccc(F)n1	893050092	IHXPWMXOAUVLJU-SNVBAGLBSA-N	307.325	1.331	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cnn(-c2ccccc2)c1)C(F)F	791587725	KAINXMVYZNEVNR-UHFFFAOYSA-N	322.315	1.925	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc(N(C)CC)nc1	790167726	JVGJETQXPYWICL-UHFFFAOYSA-N	319.409	1.293	50	20	DDGD	
C=C(CO)C(=O)NNC(=O)c1ccc(COc2ccccc2)o1	791299182	LBVUEPSTCZDFGH-UHFFFAOYSA-N	316.313	1.168	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NN=C1CC(=O)N2CCCC[C@@H]12	799472916	ZPGFXKYTORLGDQ-AWEZNQCLSA-N	303.337	1.625	50	20	DDGD	
COCCN1CN(C[C@H](CBr)C2CC2)CC1=O	1329805841	JWSVXPLKBWZHIY-NSHDSACASA-N	305.216	1.156	50	20	DDGD	
CC(=NNC(=O)c1n[nH]c2c1CCCC2)[C@H]1C[C@H]2CC[C@H]1O2	1324550812	KMNGQJHNTJAZKE-MPKXVKKWSA-N	302.378	1.962	50	20	DDGD	
CCc1ncc(NC(=O)NNC(=O)c2ccc(OC)cc2)cn1	1323844532	LIYJRBMYZUTWLF-UHFFFAOYSA-N	315.333	1.514	50	20	DDGD	
C[C@](NC(=O)CCl)(C(N)=O)c1cccc(C(F)(F)F)c1	1323269284	LBYLABUGERFRFL-LLVKDONJSA-N	308.687	1.761	50	20	DDGD	
CCc1nc(NC(=O)C(=O)NNc2ncccc2C)sc1C	1326733690	GZNYUXUETMOEJV-UHFFFAOYSA-N	319.390	1.799	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ncc(Cl)s1	1327733497	JPONRAAYELATGN-UHFFFAOYSA-N	322.843	1.284	50	20	DDGD	
C=CC[C@@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C(=O)OCC	1322239454	RQLQFTMVVFWBBA-VSKPTYQZSA-N	314.341	1.923	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CC(C)(C)CC(C)=O)cc1	1320671760	ZIEGGQBYJOLVKZ-UHFFFAOYSA-N	306.362	1.852	50	20	DDGD	
COC(=O)C(=O)NN=Cc1c[nH]nc1-c1cccc(Cl)c1	1320194221	ZZFCRRIFUICAQT-UHFFFAOYSA-N	306.709	1.353	50	20	DDGD	
C=C[C@H](COC)NC(=O)NNC(=O)Cc1ccc(Cl)cc1	1320426238	ITHDZBPUEOIXLN-GFCCVEGCSA-N	311.769	1.414	50	20	DDGD	
Cc1c(C(=O)NNc2nncc(N)c2Cl)ccc2cncn12	1323658927	DCXYQVWODSWWKS-UHFFFAOYSA-N	317.740	1.425	50	20	DDGD	
Cn1ccc(NNC(=O)c2nc3ccccc3nc2C2CC2)n1	1330706997	YFAODNRMDKVARB-UHFFFAOYSA-N	308.345	1.998	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N[C@H]2CC23CCC3)C[C@@H]1Br	1330372844	KGSPTOBQQDZUGG-HOTUBEGUSA-N	315.211	1.335	50	20	DDGD	
Cc1cc(NNC(=O)CN2CCC(CO)CC2)ccc1Cl	1337426112	SGGFUEXLHVMBDQ-UHFFFAOYSA-N	311.813	1.796	50	20	DDGD	
O=C(NN=Cc1nccn1CC(F)(F)F)C1CCOCC1	1331359519	CFFZMRHWDQWVMC-UHFFFAOYSA-N	304.272	1.322	50	20	DDGD	
CC(C)N1CCC[C@@H]1C(=O)NNC(=O)c1ccccc1Cl	1340428922	AACNOEUVAJEVPY-CYBMUJFWSA-N	309.797	1.974	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[C@H](F)C1	1349082263	RPRCMOQUPLYFAD-WDEREUQCSA-N	324.312	1.820	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)C2CCNCC2)ccnc1Cl	1345114641	FPLGSZGERMMHAN-UHFFFAOYSA-N	311.773	1.196	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)[C@@H]1CCCCO1)c1ccc(F)cc1F	1261265093	SUIAPTGLUWZWTK-RNCFNFMXSA-N	312.316	1.785	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1CCCN(CC(F)F)C1)C(F)(F)F	1351998042	FBMOOJVIOXZSMK-JGVFFNPUSA-N	303.275	1.535	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2cnc(C3CC3)[nH]2)cc1	1608781854	URHDAQQLYRHBLU-UHFFFAOYSA-N	300.318	1.671	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)/C=C/c2cc(C(=O)O)co2)n1	1600512151	YLVCUYYXECWDIR-AATRIKPKSA-N	315.285	1.156	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1ccc(C(=O)O)c(F)c1	1601555784	ONPDFVWOKCLLQP-UHFFFAOYSA-N	318.264	1.385	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)Nc1ccc(C(=O)O)nc1	1608484381	SMXUGNFKBDOIJI-UHFFFAOYSA-N	309.232	1.602	50	20	DDGD	
C=CCOC(=O)/C(C#N)=C\c1c(F)cc(-c2nn[nH]n2)cc1F	1602867159	XFWMHPHBKZTXAA-WTKPLQERSA-N	317.255	1.781	50	20	DDGD	
O=C(NC[C@H]1CCCNC1)NNc1ccc(F)c(C(=O)O)c1	1601483187	BNFXHTWOAYHCQW-VIFPVBQESA-N	310.329	1.150	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C(=O)NN=Cc1cocn1	1549313337	FGHGEGZFJGQILP-NWDGAFQWSA-N	303.322	1.026	50	20	DDGD	
CC(C)[C@@H]1C[C@H](C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)CCO1	1549321063	PRZQDTHDVKXPMG-FXUDXRNXSA-N	323.437	1.403	50	20	DDGD	
CCO[C@@H]1CCCC(=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)C1	1550354636	RUHHVUMCCFSULH-ZNMIVQPWSA-N	309.410	1.301	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@]1(C(=O)O)CC=CCC1	1588976232	UPYPAWSVDXBKJF-HNNXBMFYSA-N	304.350	1.854	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1cccc(C(=O)O)c1	1594675784	GXEJPWVLZQCZCO-UHFFFAOYSA-N	305.212	1.490	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)OC	1847868056	QKEJSNAXVBOUBU-RNJOBUHISA-N	316.829	1.631	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNc1nc2cccnc2s1)C(=O)O	1588825488	ULESKEOIYVUAEV-MRVPVSSYSA-N	323.378	1.674	50	20	DDGD	
CC(C)(C)[C@H](O)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843361369	CNQZZWZWTAJAQD-NXEZZACHSA-N	320.792	1.131	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)C(C)(C)OC)C1	1841109410	UFLYHYOIFPQZIC-NSHDSACASA-N	316.829	1.632	50	20	DDGD	
COc1ccc(C(=O)NNc2ncccc2C(=O)O)c(N)c1F	1594078853	ZASXQMDQUSFNRV-UHFFFAOYSA-N	320.280	1.267	50	20	DDGD	
C[C@@H]1CCC[C@H](CNC(=O)NNc2cccc(C(=O)O)c2)O1	1594345686	FOFCIRLNPLDKDC-ZWNOBZJWSA-N	307.350	1.969	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1nc(CCCC(=O)O)cs1	1596864914	YBIVAMLAQOXWGK-CLFYSBASSA-N	309.347	1.933	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1onc2ccccc12	1593167391	ISOBABRALSXEMG-UHFFFAOYSA-N	321.300	1.765	50	20	DDGD	
O=C(NN=Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1CCCCO1	1593155151	BWYBYZKOOUZOLD-GFCCVEGCSA-N	318.312	1.025	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1ccccc1OCCC(=O)O	1776117662	DSPFVLGMSZBJRF-JLHYYAGUSA-N	318.329	1.210	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2cn3c(n2)CCCC3)CC[C@H]1C(=O)O	1776105653	YPVYRMQOUOQDJP-ZYHUDNBSSA-N	318.377	1.826	50	20	DDGD	
O=C(O)c1ccc2[nH]cc(C=NNC(=O)C3CCOCC3)c2c1	1776102844	AJMUTOLNLLMQEE-UHFFFAOYSA-N	315.329	1.743	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)CSc2ccccc2)n1	5704523	IVYZVZJAWLMYIW-UHFFFAOYSA-N	318.402	1.440	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)c1ccco1	15904062	LULGUVNJPMCNOY-UHFFFAOYSA-N	304.302	1.518	50	20	DDGD	
Cc1ccc(C)c(OCCC(=O)NNC(=O)c2ccccn2)c1	17328981	RJLFXHVJHJYYFP-UHFFFAOYSA-N	313.357	1.929	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2c[nH]c3ccccc23)cn1	17524239	GSUBIMPPSNXVHB-UHFFFAOYSA-N	310.313	1.646	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1)N(C)C	152574472	QPRWMBRRZVGGJH-NSHDSACASA-N	321.406	1.239	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H](C(C)C)N(C)C	157184798	QOENXYZJVPCEIM-INIZCTEOSA-N	321.421	1.361	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1n[nH]c2ccccc12	154177197	KOEPKQQOMYLRLC-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
CNC(=O)CCCC(=O)NNc1nc2ccccc2cc1C	157401406	OHZSIAOCLMVXTD-UHFFFAOYSA-N	300.362	1.903	50	20	DDGD	
COCCC1(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)CC1	156788086	MLMFUWIJXBVMBB-NSHDSACASA-N	324.352	1.557	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)CC1(O)CCCC1	862287513	OZFQHSIKBGPRRF-UHFFFAOYSA-N	306.362	1.981	50	20	DDGD	
Cc1cccc2c1CC[C@H]2NC(=O)NNC(=O)Cc1cccnc1	104796660	INVQFICINWSUKA-MRXNPFEDSA-N	324.384	1.950	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)C1CCCCC1	25436553	HVLIAILCXIWBDX-UHFFFAOYSA-N	311.426	1.657	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)Cc1ccsc1	26508827	VIHWOTLRIVXMKZ-UHFFFAOYSA-N	308.334	1.656	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(CCC(N)=O)c1cccc(C)c1	178962131	SXMGNYUNWOYIJW-ACCUITESSA-N	301.346	1.647	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1cccc(F)c1F	104830169	HWQZTAUFQMZMKQ-UHFFFAOYSA-N	305.284	1.838	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)c1cccn1C	67139399	HIQIRENRXFJNPX-UHFFFAOYSA-N	302.290	1.317	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cc(Cl)c[nH]1	52568848	SRWWAWCEUJRIAV-UHFFFAOYSA-N	307.737	1.680	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3cn(C)cn3)[nH]n2)cc1	179075304	HRCQJXNFDNACDY-UHFFFAOYSA-N	324.344	1.193	50	20	DDGD	
COCCCNC(=O)NN=C1CCN(Cc2ccccn2)CC1	64923041	XYKOXSGHLSAJHK-UHFFFAOYSA-N	319.409	1.369	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNC(=O)c2cccc(C#N)c2)cn1	103401975	PSIQNDKVVDEUSL-UHFFFAOYSA-N	324.340	1.815	50	20	DDGD	
CN(C)C(=O)NNC(=O)CCc1cc(Br)cs1	107235508	UPSZZWAUYWHQCU-UHFFFAOYSA-N	320.212	1.746	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc(F)cc2F)cc1	61474839	FXNQRTKJUDKSTA-UHFFFAOYSA-N	301.252	1.911	50	20	DDGD	
COC(=O)N1CCC(=NNC(=O)CCOc2ccccc2)CC1	60810297	VLAGELYIPSKTRC-UHFFFAOYSA-N	319.361	1.790	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)n1	22234721	KRKOMTGPJGUAIC-GFCCVEGCSA-N	317.393	1.328	50	20	DDGD	
CCCN(CCC)CCCC(=O)NNC(=O)c1ccccn1	68367572	ZPWREZHYGBFBQW-UHFFFAOYSA-N	306.410	1.745	50	20	DDGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)CO)c1C	178618533	MYMXMIPGXDTMTO-KVRWYEPMSA-N	319.405	1.716	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2cc(F)c(F)c(F)c2)CC1=O	175485066	WMGHBJJVJIAPFK-SSDOTTSWSA-N	301.268	1.415	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CNC(=O)CC(C)(C)C	67439701	LOQFKJRBYNRXBA-UHFFFAOYSA-N	321.377	1.009	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cncc(Br)c2)o1	84285339	OCIYKURRCUTQPW-UHFFFAOYSA-N	324.134	1.820	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccc(C#N)cn1)c1ccccc1	110338882	OBUPEMVCNAUBKM-CQSZACIVSA-N	308.341	1.908	50	20	DDGD	
O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)c1c[nH]c2ccccc12	29634434	YNBMHHXXRVMIOB-INIZCTEOSA-N	321.336	1.933	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc3c(c2)CCC(=O)N3)nc(C)n1	128952031	PKAFEAAFNSTXGW-UHFFFAOYSA-N	311.345	1.735	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cc(Cl)ccc1O)C1CC1	127861716	AMRODRHOVLTQHS-UHFFFAOYSA-N	311.769	1.291	50	20	DDGD	
CC(C)Oc1ccc(Cl)cc1C(=O)NNC(=O)CN(C)C	75654032	DRUJEIANSQOSMO-UHFFFAOYSA-N	313.785	1.450	50	20	DDGD	
Cc1cncc(C(=O)NNC(=O)c2c(C)nc3ccccn23)c1	79337081	FNJPVXQYHLMYOT-UHFFFAOYSA-N	309.329	1.421	50	20	DDGD	
Cc1ccc(C(=O)CC(C)(C)CC(=O)NNC(=O)CO)cc1	189795038	VHFWQAVGDYFDCS-UHFFFAOYSA-N	306.362	1.124	50	20	DDGD	
N#C/C(=C/c1cccc(C(=O)O)c1)C(=O)NC[C@H]1CCCO1	126290465	FDRRFJACUSJAGF-YLHGKKIISA-N	300.314	1.587	50	20	DDGD	
CCOc1ncccc1CNC(=O)NNc1ccc(Cl)nn1	124969553	GXHDRKNKGJOTNE-UHFFFAOYSA-N	322.756	1.750	50	20	DDGD	
CCO[C@H](C)C(=O)NNC(=O)c1ccc(Br)s1	78330240	OMAQSVFMSADOEZ-ZCFIWIBFSA-N	321.196	1.697	50	20	DDGD	
Cn1c(C(=O)NNc2nc(-c3ccccc3)no2)cccc1=O	120106382	XFJGGDRHPMQJMF-UHFFFAOYSA-N	311.301	1.192	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C1(C#N)CCC1	128149286	MLSMKJUUXQHEEJ-SNVBAGLBSA-N	305.309	1.434	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cnn(-c3ccncc3)c2C)n1	120426265	LDIZYZQWMHQMGW-UHFFFAOYSA-N	323.360	1.739	50	20	DDGD	
O=C(NC[C@H](O)c1ccc(F)cc1)NNC(=O)c1ccccc1	79317789	GVUUWHAWOHYSCL-AWEZNQCLSA-N	317.320	1.503	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Nc2cccnc2)c1	73117770	QSCCUEMFTYRKDE-UHFFFAOYSA-N	300.318	1.622	50	20	DDGD	
O=C(NNc1nnc(C2CC2)s1)c1ccc2c(c1)OCO2	184480590	ZSBINDCIWJVDNH-UHFFFAOYSA-N	304.331	1.901	50	20	DDGD	
O=C(NCc1ccsc1)NNc1ccc(-n2cccn2)nn1	46025755	HMAQJUOEYWBRMA-UHFFFAOYSA-N	315.362	1.550	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1cncc(Br)c1	195317573	ASUYPVFXJGZUDE-WMZJFQQLSA-N	316.180	1.600	50	20	DDGD	
O=C(NNS(=O)(=O)c1cc2ccccc2o1)c1ccc[nH]1	131680461	AHRDUNNLUCBEHN-UHFFFAOYSA-N	305.315	1.384	50	20	DDGD	
N#Cc1csc(C(=O)NNC(=O)COCc2ccccc2)c1	84112786	MGDUQCZNLPLUKV-UHFFFAOYSA-N	315.354	1.598	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)NC1CCN(CC2CC2)CC1	193772963	GCUJBSPLHZSPNF-UHFFFAOYSA-N	316.405	1.505	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1ncc(F)cc1F	192247421	KWJGDRWSYMOGAZ-UHFFFAOYSA-N	305.284	1.754	50	20	DDGD	
COc1ccccc1C[C@H](C)CC(=O)NNC(=O)C(C)(C)O	190075584	VAPUKSIUWRWEIM-NSHDSACASA-N	308.378	1.182	50	20	DDGD	
CN(C)C1(CNC(=O)NNC(=O)OC(C)(C)C)CCCC1	43147134	PPQIFMPKAYATCP-UHFFFAOYSA-N	300.403	1.600	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C(=O)c1ccccc1	194928708	KNMKNZSSORWTTR-UHFFFAOYSA-N	312.325	1.268	50	20	DDGD	
NC(=O)NCc1ccc(NS(=O)(=O)CCCCCl)cc1	190756834	MJLBANOFOCDFCP-UHFFFAOYSA-N	319.814	1.616	50	20	DDGD	
O=C(CN1CSCC1=O)NNc1cc(Cl)ccc1Cl	267704997	AUXWOKLIRAVBCX-UHFFFAOYSA-N	320.201	1.969	50	20	DDGD	
CCN(CC)S(=O)(=O)NNC(=O)c1ccc(Cl)cc1F	267029658	KLFKXGUWVSFWJE-UHFFFAOYSA-N	323.777	1.300	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1ccc(F)cc1)N1CCCCCC1	265408325	LJPIIDWQGAXQDS-ZDUSSCGKSA-N	321.396	1.780	50	20	DDGD	
COc1cccc([C@H](O)CNC(=O)NNC(=O)C(C)(C)C)c1	264690566	ABQLUOFKPXNNBC-GFCCVEGCSA-N	309.366	1.105	50	20	DDGD	
CC(C)c1noc(OCC(=O)NNC(=O)c2ccc(F)cc2)n1	264504069	HAGCKHCQIPXRHM-UHFFFAOYSA-N	322.296	1.172	50	20	DDGD	
CNC(=O)NNC(=O)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2	267129436	LJTAFYDTGHDTOO-ZQIUZPCESA-N	301.390	1.996	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1cc(F)c(F)c(F)c1	265900558	DNBXVYUVIHGCFP-UHFFFAOYSA-N	310.297	1.460	50	20	DDGD	
CCCc1nnc(NC(=O)NNC(=O)c2cccn2C)s1	273441727	RKKWIQQOHABUNV-UHFFFAOYSA-N	308.367	1.296	50	20	DDGD	
O=C(NCC1CCN(C2CC2)CC1)NNC(=O)c1ccccc1	278048647	CWAUZNCFSDWFKQ-UHFFFAOYSA-N	316.405	1.505	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CCCCC(=O)N2)cc1Cl	279643982	CVRMMTBXJJPYKU-LLVKDONJSA-N	311.769	1.851	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H]1C[C@@H]1c1cc(OC)ccc1OC	276548488	PVWZRLQGMUGLFO-YPMHNXCESA-N	321.377	1.500	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCC[C@@H]2CCCCO2)n1	273689377	HPSYZMLCAZPKCB-LBPRGKRZSA-N	323.397	1.769	50	20	DDGD	
CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)NNc1cnccn1	277281894	SHCJPDNRFNKYSJ-FZMZJTMJSA-N	316.365	1.475	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)C[C@H]2CCC(=O)[C@@H]2C)n1	281605461	YQIVNBGFJNFROA-VXGBXAGGSA-N	319.409	1.771	50	20	DDGD	
CCCC(=O)N1CCCC[C@H]1C(=O)NNc1ncccc1F	285989797	NNIHWOFNWRETQH-LBPRGKRZSA-N	308.357	1.845	50	20	DDGD	
O=C(NNC(=O)c1ccc(NCC2CC2)nc1)NC1CCCC1	283126491	IGHJYXGDSLFIPW-UHFFFAOYSA-N	317.393	1.790	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)NCC(F)(F)F)c1C	280855562	ARYNRTMNLXRLBW-UHFFFAOYSA-N	320.271	1.340	50	20	DDGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NNc1ccc([N+](=O)[O-])cc1C	288549010	DXRWTYATQVPDOK-XPTSAGLGSA-N	322.365	1.897	50	20	DDGD	
O=C(NNc1ncccc1F)[C@H]1CC[C@@H](C(F)(F)F)NC1=O	286127860	XGAAMPWNNZBUSQ-XPUUQOCRSA-N	320.246	1.121	50	20	DDGD	
COC1(C(=O)NNC(=O)CCCc2ccccc2)CCOCC1	284125344	VVAXTPCWURMDHK-UHFFFAOYSA-N	320.389	1.352	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2C[C@H](F)[C@H](F)C2)cc(C#N)n1C	297013767	SNOOTAOALQSCGZ-LNEGKRQQSA-N	304.300	1.631	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2c[nH]c(-c3ccccc3)n2)O1	293976290	SLJXVTXZEOYYBN-GWCFXTLKSA-N	314.345	1.405	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)C1	291545195	ACDZVBDUXMDRKV-UHFFFAOYSA-N	313.304	1.933	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(O)c(C(=O)OCC)c1	294559620	VCPOEAFJAXPWLL-MDZDMXLPSA-N	304.302	1.951	50	20	DDGD	
COC(=O)c1c(C)[nH]c(C(=O)CN2CC=C(C#N)CC2)c1C	299717170	RQFJSDRRXAARFW-UHFFFAOYSA-N	301.346	1.757	50	20	DDGD	
N#Cc1cc(O)cc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)c1	803438304	LMTYKMLVMKVWRU-UHFFFAOYSA-N	320.308	1.862	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCc2cnn3ccccc23)n1	805405073	DCCAHAZAMLFEHA-UHFFFAOYSA-N	324.344	1.182	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@H](O)Cc1cccc(F)c1	296495440	BLTDNPZGYXDDDA-GFCCVEGCSA-N	311.357	1.106	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1csc(S(N)(=O)=O)c1	808248596	OCHPFPZOEBLQGR-UHFFFAOYSA-N	317.219	1.271	50	20	DDGD	
CCOC(=O)Oc1ccc(C(=O)NNc2cccnn2)cc1	800533297	AABQNFMLXPGAMF-UHFFFAOYSA-N	302.290	1.769	50	20	DDGD	
Cc1nccn1CCCC(=O)NNC(=O)Nc1ccccc1	801986267	DSGWCOHLOKWCNB-UHFFFAOYSA-N	301.350	1.825	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@](C)(OC)C2CC2)nc1C	291936462	OXDRSUDMZZDWJU-OAHLLOKOSA-N	322.365	1.220	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccc2c(n1)CCC2	296822515	QOAXERSDORJWOM-UHFFFAOYSA-N	300.322	1.518	50	20	DDGD	
COC(=O)COc1ccc(C(=O)NNc2ncccc2F)cc1	804217458	ZSUSIFMEHISZKE-UHFFFAOYSA-N	319.292	1.529	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C[C@@H]2OC(=O)c3ccccc32)n1	298157333	ROEZEYUVOMWOEJ-ZDUSSCGKSA-N	312.329	1.838	50	20	DDGD	
O=C(NC[C@H]1CCC=CO1)NNc1ccc2c(=O)[nH]ccc2c1	807153817	BUQGXJLXATWRLB-CYBMUJFWSA-N	314.345	1.847	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CCCn1cccc1	292600983	HUHFBDUAHRPEGG-UHFFFAOYSA-N	315.373	1.667	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)N[C@H]2CCOC2(C)C)c1	298257494	ZJVMSWBWVSNTJK-ZDUSSCGKSA-N	306.366	1.839	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)Nc1ccccc1C)C1CC1	296847572	JSNKZYHSHDFRJG-CYBMUJFWSA-N	306.366	1.756	50	20	DDGD	
COc1ccccc1C(C)(C)C(=O)NNC(=O)N1CCOCC1	299387897	QKAMTBDYMNWCLX-UHFFFAOYSA-N	321.377	1.046	50	20	DDGD	
CNc1nc(C)cc(C(=O)NNc2ccc([N+](=O)[O-])cc2)n1	807082040	DPBYUFKZMXCEEZ-UHFFFAOYSA-N	302.294	1.492	50	20	DDGD	
O=C(NCCCOC[C@H]1CCOC1)NNc1ncccc1F	805144621	FLKUDVUCKKTXIG-LLVKDONJSA-N	312.345	1.290	50	20	DDGD	
CC[C@H](CNC(=O)NNc1ccccc1S(C)(=O)=O)OC	811969329	WRFSNFZHJTVNBK-SNVBAGLBSA-N	315.395	1.141	50	20	DDGD	
O=C(C[C@@H]1CCCC(=O)N1)NNc1cc(Cl)nc(Cl)c1	819748252	YYIYDVIIZWNXQK-ZETCQYMHSA-N	317.176	1.890	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cccc([N+](=O)[O-])c2C)[nH]1	815855201	IUSGQPWGBLHASI-UHFFFAOYSA-N	318.289	1.775	50	20	DDGD	
O=C(CCOc1ccccc1)NN=Cc1cc(CO)ccc1O	814823691	RFQNPVMLPILXCD-UHFFFAOYSA-N	314.341	1.804	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@@H]1C[C@H](c2ccccc2)OC1=O	813424053	FKOXGFWNZWZUPN-QWHCGFSZSA-N	317.345	1.031	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC2(CCC2)[C@H]1C1CCOCC1	823660128	FPYXXLSUPJHBNB-IUODEOHRSA-N	323.437	1.213	50	20	DDGD	
CCN(CCO)NC(=O)c1nnn(-c2cccc(Cl)c2)c1C	823852739	ODWXXTKECZATQW-UHFFFAOYSA-N	323.784	1.188	50	20	DDGD	
Cc1c(NC(=O)NN(C)C2CC2)cccc1N1C(=O)CNC1=O	824375406	QQIOYSPQYCPBLD-UHFFFAOYSA-N	317.349	1.182	50	20	DDGD	
CCc1ccccc1-n1cc(O)c(C(=O)NN(C)C2CC2)n1	822433710	BYSOAJLKHRHVJW-UHFFFAOYSA-N	300.362	1.879	50	20	DDGD	
CC(C)OC(=O)CCCNC(=O)/C(C#N)=C\c1cnn(C)c1	490969425	DRKBGIIHPTXGGC-QPEQYQDCSA-N	304.350	1.175	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NN(C)C(=O)OC(C)(C)C)C(C)C	823552977	SYXWVETTWWSBHZ-SNVBAGLBSA-N	302.371	1.720	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)Cn1nc(C(F)F)cc1C1CC1	823902117	KOQGXPLRFCMVNA-MRVPVSSYSA-N	302.325	1.042	50	20	DDGD	
CC(C)(C)n1nccc1NC(=O)NNC(=O)c1cccc(F)n1	822726254	NHLIUXOXZZJXCP-UHFFFAOYSA-N	320.328	1.639	50	20	DDGD	
COc1ncc(/C=C/C(=O)NNc2ccccc2[N+](=O)[O-])cn1	492649194	PBOZNXKTRQXEES-VOTSOKGWSA-N	315.289	1.550	50	20	DDGD	
CC[C@H]1Cc2ccccc2CN1C(=O)c1ccc(B(O)O)cc1	584974902	JPGNVGMKBSSBRS-KRWDZBQOSA-N	309.174	1.344	50	20	DDGD	
C[C@@H](CC(=O)O)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	828309313	BMADZTWIVAEWQN-BDAKNGLRSA-N	324.402	1.745	50	20	DDGD	
Cc1nc2c(cnn2C(C)C)cc1C(=O)NN(C)[C@H](C)CO	823983356	RIODUXYGKJHMIF-SNVBAGLBSA-N	305.382	1.278	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNc1cccc(C#N)c1	827170189	PGJYYFOFSPULSX-GWCFXTLKSA-N	304.350	1.772	50	20	DDGD	
CC1(C)C[C@@](C)(NC(=O)/C(C#N)=C/c2ccc(O)cc2)C(=O)O1	491046947	HXTSXRRCHANANI-FWVUHSSSSA-N	314.341	1.900	50	20	DDGD	
CN(C)[C@@H]1CCC[C@H](NC(=O)/C(C#N)=C/c2cnn(C)c2)C1	491176628	QSMAMBHRWINQJL-GEJCVMBQSA-N	301.394	1.316	50	20	DDGD	
CC(C)(C)NC(=O)CCNC(=O)/C(C#N)=C\c1ccc(O)cc1	490972538	KJHMCMISDVBAQP-RAXLEYEMSA-N	315.373	1.720	50	20	DDGD	
COCC(C)(C)CCCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	826798190	QMAOYSXRKNRVMB-VXGBXAGGSA-N	315.414	1.195	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1c(F)cccc1-n1cccn1	823803967	INBYSFVRDCNQLP-UHFFFAOYSA-N	317.324	1.365	50	20	DDGD	
Cc1cnc(NC(=O)NNc2ccc(-c3nn[nH]n3)cc2)s1	826318989	JJHGYYUQQGNFPS-UHFFFAOYSA-N	316.350	1.780	50	20	DDGD	
OB(O)c1ccc(CNCCCc2cccc(F)c2)c(F)c1	585021647	MTWVPTIIKRFIJZ-UHFFFAOYSA-N	305.133	1.367	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(C)n(-c2nccs2)c1C	823847647	ZCXFNKOACKOQJH-UHFFFAOYSA-N	308.407	1.510	50	20	DDGD	
O=C(NCCc1cn2ccccc2n1)NNc1ccc(F)cn1	731358821	JCEPAGFALANYOW-UHFFFAOYSA-N	314.324	1.737	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cc(I)c[nH]1	734419432	QUKATZJWZVDIEM-UHFFFAOYSA-N	321.118	1.036	50	20	DDGD	
CC(C)n1ccc(C(=O)NNC(=O)NCCc2cccs2)n1	733140431	ZGNZQGPMDSTVNM-UHFFFAOYSA-N	321.406	1.712	50	20	DDGD	
CCCN1CCC(N(C)C(=O)/C(C#N)=C\c2cnn(C)c2)CC1	491044620	CMIRXUIXTBRKTM-GDNBJRDFSA-N	315.421	1.660	50	20	DDGD	
O=C(COC[C@@H]1CCCO1)NNc1cnnc2ccccc12	733811795	PAGSCQCHFOMDET-NSHDSACASA-N	302.334	1.269	50	20	DDGD	
COC(=O)Nc1cccc(C(=O)NNC(=O)C2CCCC2)c1	491031443	FURWIWHRMGKMRH-UHFFFAOYSA-N	305.334	1.816	50	20	DDGD	
COC[C@@]1(C)CCN(CC(=O)NNC(=O)c2ccc(C)cc2)C1	830524609	LAPXQUZTVQDNLY-KRWDZBQOSA-N	319.405	1.114	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1ccc(Cl)nc1	494726943	SGASAXDBTAXBFT-UHFFFAOYSA-N	312.757	1.710	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)[C@@H](C)OCCOC)C1CCCC1	838702580	GKHXVBPJAMMFQF-YPMHNXCESA-N	315.414	1.337	50	20	DDGD	
CCOC(=O)[C@@H](CC(=O)NNc1cc(C)ccc1C)C(C)=O	830791213	CWOCVWXVPHVCNS-ZDUSSCGKSA-N	306.362	1.905	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNC(=O)c1cccc(N(C)C)c1	839456485	LUFHQUBLFCYWAW-ZDUSSCGKSA-N	321.377	1.103	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1C(=O)OCC(=O)NNC(=O)c1cccs1	837844834	DPALFRVGRRWMMC-MNOVXSKESA-N	324.402	1.879	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C[C@@](C)(O)C2CC2)ccc1F	837035939	ITKXCIJTBQFHNS-OAHLLOKOSA-N	310.325	1.607	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccc(C(=O)O)cc1C	905483348	HJZQZLWUKCWYMY-BXUZGUMPSA-N	304.346	1.958	50	20	DDGD	
CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1cccc(B(O)O)c1	584912243	LVQMNIQAXANJPP-KCXAZCMYSA-N	319.210	1.679	50	20	DDGD	
C[C@H]1CC(=NNC(=O)Cc2nc3ccccc3n2C)[C@H](C)O1	834926165	ILJLZOPPFMSDEA-QWRGUYRKSA-N	300.362	1.785	50	20	DDGD	
C=CCOc1ccccc1CNC(=O)NNC(=O)COCC	732473145	JTEUEMXHDXFTHG-UHFFFAOYSA-N	307.350	1.118	50	20	DDGD	
CCCCCc1nnc(NC(=O)c2cccc(B(O)O)c2)s1	584934074	OPZNTSJCJBKHHM-UHFFFAOYSA-N	319.195	1.203	50	20	DDGD	
CO[C@H]1COCC[C@H]1CNC(=O)NNc1cccc(F)c1F	838659022	MXNKMCYTQQRMJY-CABZTGNLSA-N	315.320	1.642	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NC[C@H]2CC[C@H](C)O2)c1	838742163	OTIDZCYKMDOTDD-GXTWGEPZSA-N	321.377	1.272	50	20	DDGD	
O=C(NCC1CC1)NN=Cc1c[nH]c2ccc(C(=O)O)cc12	739408142	VVXTZFBVOPBGIZ-UHFFFAOYSA-N	300.318	1.909	50	20	DDGD	
CC1(C)COC(=O)[C@@H]1NC(=O)/C(C#N)=C\c1ccc(O)cc1	837637256	PIUIJSHQNBNYLQ-YLBKJLTLSA-N	300.314	1.367	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)o1	585049677	TYRPEBPMXHIGET-VHDGCEQUSA-N	303.554	1.041	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CCCn1cncn1)c1ccccc1	731231587	UUWHAQPQHJHMPS-UHFFFAOYSA-N	315.377	1.184	50	20	DDGD	
CCCN(CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1	839481818	YGPGKFIKRKRHOA-UHFFFAOYSA-N	320.349	1.230	50	20	DDGD	
CC(=NNC(=O)CCSc1ccc(F)cc1)c1cnn(C)n1	834929880	YIIAYZQLTXCTHS-UHFFFAOYSA-N	321.381	1.977	50	20	DDGD	
C[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)CC[C@H]1c1ccccc1	584953518	VYMZPRIYQKZRQS-RDTXWAMCSA-N	323.201	1.632	50	20	DDGD	
CC[C@H]1CCC[C@H]1CNC(=O)NNC(=O)Cc1cccnc1	836278593	JGUSWRGKORGRIT-KBPBESRZSA-N	304.394	1.781	50	20	DDGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NN(C)C[C@@H](C)O	910178531	YJTZEAJKLUUXEJ-SNVBAGLBSA-N	320.368	1.586	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NC[C@@H]1CCCNC1=O	838780366	YVWXAIMIRHUXTA-ZDUSSCGKSA-N	304.394	1.710	50	20	DDGD	
CC1CCN(c2ccc(C(=O)NN(C)C[C@H](C)O)cn2)CC1	910166531	YAVBPEZHHZOHDE-ZDUSSCGKSA-N	306.410	1.275	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)NC2CC2)cc1)c1ccncc1	912773397	OJSXDBORARQGNU-UHFFFAOYSA-N	308.341	1.738	50	20	DDGD	
CCOc1ccc(O)c(C=NNC(=O)[C@@H](C)OCCOC)c1	748257356	HVKAOJQFTLMVGI-LLVKDONJSA-N	310.350	1.293	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)CCc1ccccc1)C(C)C	743637046	IYQBFOZUIMMTKI-AWEZNQCLSA-N	307.394	1.621	50	20	DDGD	
NCCCCCCNC(=O)NNc1ncnc2ccsc12	831267891	RIMLPMSFPZTTPC-UHFFFAOYSA-N	308.411	1.837	50	20	DDGD	
Cc1ncc(C(=O)NNc2cccc(Br)c2)c(N)n1	749193719	MRKQFHHPMUSGOK-UHFFFAOYSA-N	322.166	1.887	50	20	DDGD	
CCN(CC)C(=O)CNC(=O)NNc1ccc(F)cc1Cl	914396165	WNJDPWXXCGCUCO-UHFFFAOYSA-N	316.764	1.974	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H](C)C(=O)OC(C)(C)C	840241618	PEZHKEDBKOBBRF-NSHDSACASA-N	306.362	1.734	50	20	DDGD	
CCc1ccc(CCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	843650143	ZEMNEPJOOQSTAY-SWLSCSKDSA-N	304.390	1.754	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2ccc(O)cc2O)c(OC)c1	916662703	PBJXXBYWDDENRG-UHFFFAOYSA-N	316.313	1.879	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@H]1CCc2nccn2C1	846642760	GNQFWAHYJASWKE-JTQLQIEISA-N	304.325	1.737	50	20	DDGD	
Cc1ccc(C(=O)NN(C)C[C@H](C)O)c(Br)n1	910160439	IGNPDYKQSQQKLZ-QMMMGPOBSA-N	302.172	1.110	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1C#N)c1cn(C)nc1C	917538525	QBRVYOSKZVTNMV-UHFFFAOYSA-N	311.345	1.519	50	20	DDGD	
CC1=C(C)C[C@H](C(=O)NNC(=O)C(=O)Nc2ccccn2)CC1	843823740	JGHHDGQEMCTDKS-GFCCVEGCSA-N	316.361	1.304	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)ccc1C	843647199	SCFWPDZPSKNPMI-GWCFXTLKSA-N	319.361	1.139	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@H]2CC[C@H]2C(N)=O)c(Cl)c1	848044278	GYIJBLBTHVJLKU-BDAKNGLRSA-N	324.768	1.313	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCc1cccc(Cl)c1	843645031	QECVUNFQRYSDRS-GXFFZTMASA-N	310.781	1.845	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(C)nc1C	843660248	WBQADODLGHTUSG-VXGBXAGGSA-N	319.361	1.087	50	20	DDGD	
CCOc1ccc(CC(=O)NNc2ccnc(N(C)C)n2)cc1	740102858	PTRJIKPHUBOHHJ-UHFFFAOYSA-N	315.377	1.627	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@@H]1CC[C@H]2CNC[C@H]2C1	842014654	IIOOIFJCEYGSBV-IQJOONFLSA-N	311.336	1.374	50	20	DDGD	
Cc1cc(C(=O)NNc2ncnc3[nH]cnc23)c2n[nH]cc2c1	743471477	JSKDEEVBYBUBMF-UHFFFAOYSA-N	308.305	1.295	50	20	DDGD	
O=C(NNc1cc(O)nc2ncccc12)C1(Br)CC1	913989965	VMCXBCFJMJYJRP-UHFFFAOYSA-N	323.150	1.706	50	20	DDGD	
CCn1nc(C)c(CNC(=O)[C@@]2(C)C[C@H]2Br)n1	911279889	QATRPSWHLOKGNS-KOLCDFICSA-N	301.188	1.396	50	20	DDGD	
C/C(=C/C1CCC(C)CC1)C(=O)NNC(=O)CN1CCCC1=O	913733488	KQNHIHUIUZCKHG-RAXLEYEMSA-N	321.421	1.529	50	20	DDGD	
CCC(CC)(CO)C(=O)NNC(=O)COc1cc(C)cc(C)c1	847287333	RNIIMHXTMHSEML-UHFFFAOYSA-N	322.405	1.628	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc2c1OCCCO2	844619460	FIKHBGSDXQUAEI-GHMZBOCLSA-N	320.345	1.034	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1cc(C(=O)O)ccc1O	842555867	RMOINEVIRPPKAP-KOLCDFICSA-N	306.318	1.356	50	20	DDGD	
Cc1ccc([C@@H](C)[C@H](O)C(=O)NNC(=O)c2ccccc2)cc1	748011460	HVIIFLWZJHAMDW-CJNGLKHVSA-N	312.369	1.921	50	20	DDGD	
Cc1cc2ncc(C(=O)NNC(=O)c3ccccc3C)c(C)n2n1	849165463	JLQPJVSYBWLDAC-UHFFFAOYSA-N	323.356	1.729	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1ccccc1	843653389	NFJKTXVYBKFMCM-QEJZJMRPSA-N	304.390	1.999	50	20	DDGD	
O=C(NN=Cc1nccc2ccccc12)[C@H]1CCS(=O)(=O)C1	740760360	AQSYUZJLJBDUIU-LBPRGKRZSA-N	317.370	1.120	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1ccc(O)c([N+](=O)[O-])c1	842561922	OGIWEAYSLACREO-GXSJLCMTSA-N	307.306	1.566	50	20	DDGD	
CC[C@@H](C(=O)NNc1nnc(-c2ccccn2)s1)[C@@H](C)O	842258196	OZEMLMLBEUABGX-RKDXNWHRSA-N	307.379	1.450	50	20	DDGD	
CC(=O)Nc1cccc(C(C)=NNC(=O)[C@@H]2CCO[C@H]2C)c1	842551211	AWOCYQHRVDYTIK-XHDPSFHLSA-N	303.362	1.910	50	20	DDGD	
C=Cc1ccc(S(=O)(=O)NNC(=O)NC2CCCC2)cc1	840912593	SGOLYBXKWXVAGS-UHFFFAOYSA-N	309.391	1.765	50	20	DDGD	
O=C(O)CCCCNC(=O)NNC(=O)CCCc1ccccc1	840992663	DNOPJECHUOXMHW-UHFFFAOYSA-N	321.377	1.595	50	20	DDGD	
C[C@@H]1OC(=O)N[C@@H]1C(=O)NNc1cccc(Cl)c1Cl	841443774	XOTPKIWUEPUJLS-CDUCUWFYSA-N	304.133	1.933	50	20	DDGD	
O=C(NCC[C@]1(O)CCCOC1)NNc1cccc(Cl)n1	846724613	HHUWVNQMQDEFST-CYBMUJFWSA-N	314.773	1.293	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccc([S@](C)=O)cc1	842552002	GVDKIXDJQRYUQD-DAKYAEBGSA-N	308.403	1.689	50	20	DDGD	
O=C(O)CCOc1cccc(C=NNC(=O)c2ccncc2)c1	746676642	HOUIUIHCDLEVAZ-UHFFFAOYSA-N	313.313	1.699	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1	843663442	YQCYBEIVYGAFAE-GDLHICMESA-N	302.374	1.753	50	20	DDGD	
Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NNC(=O)C2CC2)cc1	742473229	YBJNIEYDTJJSFE-CQSZACIVSA-N	315.373	1.043	50	20	DDGD	
CCc1noc2ncc(C(=O)NNC(=O)NCC3CC3)cc12	920858803	DZCKOABNBQMPDY-UHFFFAOYSA-N	303.322	1.139	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@H](C)[C@H]2CCOC2)cc1	845009248	CKCMVPBDACCWQL-YPMHNXCESA-N	321.377	1.453	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1Cl	928341624	DTLUHOWDLDXSKD-SECBINFHSA-N	302.783	1.526	50	20	DDGD	
CC(=O)N1CCC[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2F)C1	855621205	HYMJMEKOJPLALQ-SNVBAGLBSA-N	324.312	1.436	50	20	DDGD	
COCCOc1ccccc1C=NNC(=O)c1cnccn1	751526495	LFZAHUWRIBFTPS-UHFFFAOYSA-N	300.318	1.266	50	20	DDGD	
Cc1cc(C(=O)NCCCSC#N)c2c(C)nn(C)c2n1	854363298	UNEKLBJMXOTAHH-UHFFFAOYSA-N	303.391	1.919	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2ccc(F)c(F)c2)[C@@H]1OC	922068417	ISZYLAGPGGCOLQ-XQQFMLRXSA-N	315.320	1.783	50	20	DDGD	
CCNC(=O)NN=Cc1cccc(NC(=O)C(F)(F)F)c1	920825979	YURNPKDIKVFNDQ-UHFFFAOYSA-N	302.256	1.840	50	20	DDGD	
CC1CC(CNC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1	856908504	LHOCADIJTHTEBP-MGULZYLOSA-N	319.361	1.203	50	20	DDGD	
CCOCc1nc(C)c(C(=O)NN(C)C(=S)NC)s1	854921873	QDOARZUVYOIAIH-UHFFFAOYSA-N	302.425	1.069	50	20	DDGD	
CCOC(=O)[C@@H](CC(=O)NNc1cccnc1Cl)C(C)=O	854929637	GMASQZYRFLLDMT-VIFPVBQESA-N	313.741	1.337	50	20	DDGD	
Cc1ccccc1[C@H](O)CNC(=O)NNC(=O)C1CCCC1	753356236	VXXICVLNNKHYDV-CQSZACIVSA-N	305.378	1.549	50	20	DDGD	
CC1(CCNC(=O)NNc2cc(F)ccc2F)OCCO1	921962369	YBQXVXPNCMWWAB-UHFFFAOYSA-N	301.293	1.744	50	20	DDGD	
CN(C)C1(CNC(=O)NNc2cc(F)c(F)cc2F)CC1	923006709	JNOQSKZUZZYHLM-UHFFFAOYSA-N	302.300	1.824	50	20	DDGD	
O=C(NCCCC1CCC1)NNc1ccc(-n2ccnc2)nn1	852583150	RUVWDPKCBHMRER-UHFFFAOYSA-N	315.381	1.869	50	20	DDGD	
CN(CC1=CCSC1)C(=O)NNC(=O)c1cccc(F)n1	852712441	KNIRURFLGAGOMB-UHFFFAOYSA-N	310.354	1.180	50	20	DDGD	
C#CCNC(=S)NNC(=O)c1ccc(Cl)cc1Cl	758179883	IKSJPBYBCKEEBW-UHFFFAOYSA-N	302.186	1.736	50	20	DDGD	
COc1ccc(C(=O)CCC(=O)NNC(=O)C(C)C)cc1F	751297856	LGCHMMADYMXEPH-UHFFFAOYSA-N	310.325	1.601	50	20	DDGD	
CCOCCn1cc(C(=O)NNc2nc3ccccc3[nH]2)cn1	857166017	KKVXSNIMOLJTRQ-UHFFFAOYSA-N	314.349	1.553	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)C1CCCCC1	750933270	ZFYVBTIJGQVVID-LBPRGKRZSA-N	300.424	1.884	50	20	DDGD	
Cc1c(NC(=O)NC[C@@]2(C)C[C@H]2Br)nnn1C	856876790	SRCCLOCUSMEFIX-GMSGAONNSA-N	302.176	1.419	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1cnc2n1CCC2	854238354	WXTXNXPBFFSZEO-UHFFFAOYSA-N	318.764	1.486	50	20	DDGD	
Cc1cc(C)n(CC(=O)NC[C@@]2(C)C[C@@H]2Br)n1	857404047	RJRIHTDHMSKJRC-CMPLNLGQSA-N	300.200	1.790	50	20	DDGD	
O=C1N[C@@H](C(=O)NNc2ccccc2C(F)(F)F)CCO1	858278945	MJMLYAKVVWVALM-SECBINFHSA-N	303.240	1.647	50	20	DDGD	
CC(=O)N[C@@](C)(C(=O)NNc1nccnc1C1CCC1)C(C)C	935978794	ZXXNVVFUIFPMJB-MRXNPFEDSA-N	319.409	1.738	50	20	DDGD	
COc1cccc(OCC(=O)NNc2ncccc2[N+](=O)[O-])c1	759297980	RKNLXABWRDPPCQ-UHFFFAOYSA-N	318.289	1.521	50	20	DDGD	
COc1cc(C=NNC(=O)N2CCOCC2)c2c(c1)C[C@@H](C)O2	755672771	OADINOAZTCELHX-LLVKDONJSA-N	319.361	1.394	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@@](C)(O)c1cccc(C(F)(F)F)c1	754852502	ZKPUUFFRXJNRID-LBPRGKRZSA-N	319.283	1.215	50	20	DDGD	
COCCOCC(=O)NNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21	869905758	PCPXBSMFGMONBQ-BFHYXJOUSA-N	312.410	1.403	50	20	DDGD	
CCCNC(=O)c1cccc(NCc2ccc(B(O)O)cc2)c1	864026641	URGHZUUFGZADOO-UHFFFAOYSA-N	312.178	1.118	50	20	DDGD	
CC1(C)CCc2sc(NC(=O)c3ccc(B(O)O)cc3)nc21	863885162	WONZTTRGVDLEPP-UHFFFAOYSA-N	316.191	1.299	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccccc1COC(C)(C)C	932535977	FZPVPOHHQBDXBQ-UHFFFAOYSA-N	322.409	1.716	50	20	DDGD	
O=C1N[C@H](C(=O)NNc2cccc(C(F)(F)F)c2)CCO1	860312780	VBIWGSDWCMUJIZ-VIFPVBQESA-N	303.240	1.647	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCc2ccc(Cl)cc21	762445932	BGSGNQGMBHTJFU-UHFFFAOYSA-N	305.765	1.729	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccncc2)c([N+](=O)[O-])cc1O	767018278	YCDIEAUBXYZOOT-UHFFFAOYSA-N	316.273	1.468	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H]2CCCc3sccc32)n[nH]1	869015371	QEZQFEOOIWYNMC-GFCCVEGCSA-N	318.402	1.590	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](O)c2cccnc2)c([N+](=O)[O-])c1	768329079	OCVLPSIFJBHOAT-ZDUSSCGKSA-N	318.289	1.175	50	20	DDGD	
O=C(CNC(=O)C1CCCCC1)NNc1nc2ccccc2[nH]1	768492492	QAWMAZNKDUTKGD-UHFFFAOYSA-N	315.377	1.703	50	20	DDGD	
COc1cccc(C(=O)NNc2ncc(F)cn2)c1[N+](=O)[O-]	768122187	RYFODHICZOVRQG-UHFFFAOYSA-N	307.241	1.289	50	20	DDGD	
CCc1noc(COCC(=O)NNc2ccc(F)cc2F)n1	935021582	GSDKMCXGOGVYID-UHFFFAOYSA-N	312.276	1.570	50	20	DDGD	
C[C@@H]1CC(C)(C)CC1=NNC(=O)Cc1cc(O)nc(S)n1	766001863	KVQYRYQKRDOTNX-MRVPVSSYSA-N	308.407	1.942	50	20	DDGD	
COC(=O)c1ccc(C(=O)NN=c2cc[nH]cc2Cl)cn1	768451883	MKUMZJPHLIGOJC-UHFFFAOYSA-N	306.709	1.095	50	20	DDGD	
CCCN(NC(=O)c1cc(OC)ncn1)C(=O)OC(C)(C)C	935946854	BXSKAXIPHDOWDA-UHFFFAOYSA-N	310.354	1.777	50	20	DDGD	
O=C(NCC1(N2CCOCC2)CC1)NNc1ccc(F)cc1	765633260	ACKAXYNKECGQDB-UHFFFAOYSA-N	308.357	1.317	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1ccccc1Cl	866038141	JJBLDXAILDDISV-UHFFFAOYSA-N	301.730	1.156	50	20	DDGD	
COCCOCC(=O)NNC(=O)CC[C@H](C)c1ccccc1	869908049	ISQONKDGJWSJPM-ZDUSSCGKSA-N	308.378	1.381	50	20	DDGD	
CCc1cccc(OCC(=O)NNC(=O)c2cc(C)[nH]n2)c1	765587229	RDBGBTKURQYFDO-UHFFFAOYSA-N	302.334	1.121	50	20	DDGD	
C[C@H](Oc1ccc(C#N)cc1)C(=O)NN[C@@H](C)C(F)(F)F	862305249	LBSSTAYOWQKRLF-IUCAKERBSA-N	301.268	1.897	50	20	DDGD	
Cc1cccc(C(C)C)c1NC(=O)NNC(=O)[C@H]1CCC(=O)N1	860253363	JMMJKMAUNHEMJH-GFCCVEGCSA-N	318.377	1.550	50	20	DDGD	
CCC(=NNC(=O)C(=O)NC1CC1)c1ccc2c(c1)CCCO2	765563078	KAVTVBQULMGCAZ-UHFFFAOYSA-N	315.373	1.521	50	20	DDGD	
COC(=O)c1cncc(C(=O)NNC(=O)c2ccccc2C)c1	765468340	GZNPHNSRTIAFQR-UHFFFAOYSA-N	313.313	1.251	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(OC)cc1C	764085370	PVGOQIGGCFROGH-VIFPVBQESA-N	307.350	1.136	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNC(=S)Nc1cccc(C)c1	873775910	CEIHJLYGWDJGRS-LBPRGKRZSA-N	308.407	1.227	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccn(CCc2ccncc2)n1	878792565	UBYIUWDMFCTAIO-UHFFFAOYSA-N	318.381	1.136	50	20	DDGD	
COc1cc(O)ccc1C=NNC(=O)Cc1csc(C)n1	1115821307	MJDJYHZPQQQCGD-UHFFFAOYSA-N	305.359	1.859	50	20	DDGD	
C[C@@H](NC(=O)CC(C)(C)C)C(=O)NNc1nc2ccccc2[nH]1	779396536	IOLPCTBAOQWQIJ-SNVBAGLBSA-N	317.393	1.947	50	20	DDGD	
Cc1cccnc1NNC(=O)c1ncc(C(N)=O)cc1Cl	1116765078	FGZRDULSOUWZTG-UHFFFAOYSA-N	305.725	1.294	50	20	DDGD	
Cc1cc(NC(=O)NNc2ncc(F)cn2)nn1CCC#N	775698080	DFVXFUMDYAGTRY-UHFFFAOYSA-N	304.289	1.183	50	20	DDGD	
COCCCNC(=O)NNC(=O)C/C=C/Cc1ccccc1	874194769	LDGYXIBUWYEAPI-AATRIKPKSA-N	305.378	1.542	50	20	DDGD	
C[C@H](NCC(=O)NNC(=O)C(C)(C)C)c1cccc([N+](=O)[O-])c1	775185591	DCUHLVIRVUVELW-JTQLQIEISA-N	322.365	1.439	50	20	DDGD	
COc1ccc(OCC(=O)NN=C(C)c2cnn(C)c2C)cc1	778538244	HLBBEHRPXXUABY-UHFFFAOYSA-N	316.361	1.656	50	20	DDGD	
COCCOc1cccc(CC(=O)NNC(=O)C2CCC2)c1	772457932	OQYUXHUBVGEARV-UHFFFAOYSA-N	306.362	1.202	50	20	DDGD	
CCn1cnnc1-c1ccccc1NC(=O)NN(C)CCOC	878697375	ILIPQYKNZUTOGN-UHFFFAOYSA-N	318.381	1.580	50	20	DDGD	
COc1c([N+](=O)[O-])ccc(C=NNC(=O)NCC2CC2)c1O	773054458	MCXISSXDZNSURC-UHFFFAOYSA-N	308.294	1.352	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(F)c(F)c1	771899905	BXHJUYCIMBPFRK-ZETCQYMHSA-N	300.261	1.068	50	20	DDGD	
COc1nc(C)ccc1C(=O)NNC(=O)c1c[nH]c2ccccc12	777281575	YVFIAPVNNDFBPR-UHFFFAOYSA-N	324.340	1.955	50	20	DDGD	
Cc1ccc(C(=O)NNc2nc(O)c3cnn(C)c3n2)c(F)c1	770974225	KGFRXMXIOOCIAN-UHFFFAOYSA-N	316.296	1.273	50	20	DDGD	
CC(=O)N1CCC(C(=O)NNc2cnc3ccccc3n2)CC1	774783391	STUVIMGKDVMENK-UHFFFAOYSA-N	313.361	1.331	50	20	DDGD	
COC(=O)c1ccccc1C(=O)NNC(=O)OCC(F)(F)F	1120669608	ATVFLBBWQDANNH-UHFFFAOYSA-N	320.223	1.407	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)Cc1noc(C)c1C#N	779510733	MTASGTRISXNQEF-UHFFFAOYSA-N	317.257	1.920	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(OCCOC)cc1Cl	770223464	QGCHBLACGMZYCD-UHFFFAOYSA-N	315.757	1.329	50	20	DDGD	
O=C(/C=C\CN1CCOCC1)NNc1ccc(F)cc1Cl	885136817	IUEDGGFHEMIHOJ-UPHRSURJSA-N	313.760	1.811	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1	887141947	PPCPVKNDLUCJHG-CYBMUJFWSA-N	321.421	1.222	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)CCCCCl)C[C@@H](C(F)(F)F)O1	780804541	MURWZIKSGJNHPX-BDAKNGLRSA-N	323.764	1.987	50	20	DDGD	
Cn1c(CNS(=O)(=O)CCCCCl)nnc1C1CC1	780840429	LGGQIVLDNHZIQP-UHFFFAOYSA-N	306.819	1.131	50	20	DDGD	
COCC[C@@H](Cc1ccco1)NC(=O)NNC(=O)C1CCC1	784473009	ZAAIBSAQOPTNKA-LBPRGKRZSA-N	309.366	1.358	50	20	DDGD	
C[C@@H](C(=O)NNc1c(F)cc(F)cc1F)N1CCN(C)CC1	885151032	SLBCIFBQEKFNPP-VIFPVBQESA-N	316.327	1.183	50	20	DDGD	
O=C(CN1C(=O)CCC1=O)NNc1cccc(C(F)(F)F)c1	1123823100	BACBKAAYHCFKKM-UHFFFAOYSA-N	315.251	1.298	50	20	DDGD	
Cc1ccc(C(N)=O)cc1OS(=O)(=O)CBr	782433266	AFFOWQSGGXQPII-UHFFFAOYSA-N	308.153	1.155	50	20	DDGD	
CC[C@@H]1C[C@H](CC(=O)NNC(=S)NCC2CCC2)CCO1	781683791	FJJSAKWZGPKANR-CHWSQXEVSA-N	313.467	1.877	50	20	DDGD	
CC[C@H](O)[C@H](C)C(=O)NNC(=S)Nc1ccccc1OC	899939403	NJNMKGBWAQBBCA-ONGXEEELSA-N	311.407	1.420	50	20	DDGD	
COc1ccnc(NNC(=O)c2c[nH]nc2-c2ccoc2)n1	789894192	YWRSOFHWBIXYBU-UHFFFAOYSA-N	300.278	1.225	50	20	DDGD	
COCC[C@@H](Cc1ccco1)NC(=O)NNc1cccnn1	784471507	MBCDUSFSMJMOSH-NSHDSACASA-N	305.338	1.344	50	20	DDGD	
Cc1c[nH]cc(C(=O)NNC(=O)CCCc2ccccc2)c1=O	781421341	IVIYWDVRGSJBML-UHFFFAOYSA-N	313.357	1.467	50	20	DDGD	
CCN1CC[C@@H](N(C)S(=O)(=O)CBr)C[C@H]1C	782456251	XOJQVZBNUGDSIK-NXEZZACHSA-N	313.261	1.473	50	20	DDGD	
Cc1nc(CNC(=O)NC[C@@]2(C)C[C@@H]2Br)n[nH]1	895923410	PABMBIUCRRQADS-OIBJUYFYSA-N	302.176	1.086	50	20	DDGD	
Cc1ccccc1COCC(=O)NNC(=S)NC(C)(C)C	899999520	PYDVFVGHATVVQO-UHFFFAOYSA-N	309.435	1.805	50	20	DDGD	
CSSCCNS(=O)(=O)N1CCc2ccccc2C1	790349102	FCNQQNYQTKPLIU-UHFFFAOYSA-N	318.489	1.890	50	20	DDGD	
CC(C)(O)C(=O)NN=C(C[C@H]1CCOC1)c1ccc(F)cc1	793041037	KKCBOXPWFULBTE-LLVKDONJSA-N	308.353	1.844	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)CNc1ccccc1OC	794905375	BHSKHINWQJJXPU-ABAIWWIYSA-N	323.393	1.316	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C1CCCCCC1	790062923	CPWQKBSDLWFEBS-UHFFFAOYSA-N	300.399	1.893	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1cccnc1Cl	792374248	BSTZURRIGGIICZ-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
COCc1cc(C=NNC(=O)Cn2cnc3ccccc32)no1	794869845	DSDNXVIBOINFBQ-UHFFFAOYSA-N	313.317	1.321	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)NCC(F)(F)F)N1CCCCC1	798313466	HMFLBVSEXRPWHH-JTQLQIEISA-N	324.347	1.390	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccccc1CC(C)C	790514402	SXEQJXHGIKOOEP-UHFFFAOYSA-N	307.394	1.866	50	20	DDGD	
Cc1cccnc1NNC(=O)c1ccc(=O)n(-c2ccccc2)n1	791225945	VOQUNAGXWJSRIK-UHFFFAOYSA-N	321.340	1.693	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)Oc1ccccc1F)c1ccc(O)nn1	790149549	DYDWYPUOKGSBPR-SNVBAGLBSA-N	318.308	1.629	50	20	DDGD	
CCOC(=O)C1(CC(=O)NNc2nc3ccccn3n2)CCC1	791252809	NOTYIFHULZQAEP-UHFFFAOYSA-N	317.349	1.296	50	20	DDGD	
O=C(NN=C1CCC[C@H]1c1ccccn1)[C@H]1CCS(=O)(=O)C1	794889251	QSOPWDXKAKUERZ-RYUDHWBXSA-N	321.402	1.256	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CSc2nnc(C)o2)cc1	1317695113	BCPWQBLKIJBHRA-UHFFFAOYSA-N	306.347	1.240	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H](C)c2ccccn2)cc1	1317876833	DTVGSTFFTDZQFZ-NSHDSACASA-N	314.345	1.795	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(C)n(C2CC2)c1C	1320665728	DFRUCPYTRIAVAC-LLVKDONJSA-N	321.377	1.543	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCCc2ccccn2)cc1	1322522874	WMGLVPMIRNEWKS-UHFFFAOYSA-N	313.357	1.874	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(C)ccc1NC(=O)N(C)C	1320570448	ULBDOMYRMMXOJK-UHFFFAOYSA-N	321.381	1.395	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)C(C)(C)Oc1ccccc1	1328550175	BSLMCXFWFFGDOF-DGCLKSJQSA-N	306.362	1.416	50	20	DDGD	
O=C(CCc1ccc(O)nc1)NNC(=O)c1ccccc1Cl	1324813232	AXCIYZAMQFDQPO-UHFFFAOYSA-N	319.748	1.834	50	20	DDGD	
CC1(C)C[C@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CCO1	1335536388	BPEBRGRMFGUREU-SNVBAGLBSA-N	320.393	1.255	50	20	DDGD	
COC(=O)c1ncoc1CCC(=O)NNc1ccc(C)cc1	1331579800	LGOIBJYZMSHISF-UHFFFAOYSA-N	303.318	1.846	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCc1nc(-c2ccccc2)no1	1330262633	XWOIORUOMVPKFU-LLVKDONJSA-N	304.350	1.013	50	20	DDGD	
CC(=NNC(=O)C1CCOCC1)c1cn(-c2ccccc2)nn1	1336993361	YDYLFESOBVSKBR-UHFFFAOYSA-N	313.361	1.534	50	20	DDGD	
CCOc1cc(C(=O)NNc2ccc(C(F)(F)F)nn2)[nH]n1	1331790952	VAQIMMWHRQKOIB-UHFFFAOYSA-N	316.243	1.374	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1ccc(N2CCCOC2=O)cc1	1261236434	IOQIRMJZJBWLNA-UHFFFAOYSA-N	319.317	1.047	50	20	DDGD	
CNC(=O)Cc1ccccc1NC(=O)NNc1cccc(F)n1	1346301535	CRHYGDJVBCNMGK-UHFFFAOYSA-N	317.324	1.658	50	20	DDGD	
Cc1c(C(=O)NNc2ncncc2F)cnn1-c1ccncc1	1347730030	ZXNGAJZBJCLQDO-UHFFFAOYSA-N	313.296	1.262	50	20	DDGD	
C[C@@H](NNC(=O)[C@H]1CC(=O)N(C)c2ccccc21)C(F)(F)F	1348382549	BHIYRWXMXVXZMU-SCZZXKLOSA-N	315.295	1.708	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCc1c(F)cccc1Cl	1261972827	YENZBDRZFMYVPB-UHFFFAOYSA-N	303.721	1.934	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1c(Cl)ccnc1Br	1352303927	VMDVHFMDQSPSEK-ZCFIWIBFSA-N	322.590	1.455	50	20	DDGD	
Cc1nn(CC(F)(F)F)cc1C(=O)NNc1ccncn1	1351243682	GJGWAKLQZGFZGL-UHFFFAOYSA-N	300.244	1.301	50	20	DDGD	
O=C(NCCSSCCNC(=O)[C@@H]1C[C@@H]1F)[C@@H]1C[C@@H]1F	1350100808	OQHUREVJQBZBHO-IMSYWVGJSA-N	324.418	1.316	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2ccc(C(=O)O)nc2)n1	1600183064	QWVHNDGSLZYJJL-UHFFFAOYSA-N	302.294	1.335	50	20	DDGD	
CC(C)[C@H](NC(=O)NNc1ccc(-c2nn[nH]n2)cn1)C1CC1	1603229827	YJWADZYUYGWWGD-LBPRGKRZSA-N	316.369	1.322	50	20	DDGD	
Cc1csc(=O)n1CCC(=O)NNc1ccccc1C(=O)O	1607921789	JMJVYLZHDPSUJF-UHFFFAOYSA-N	321.358	1.450	50	20	DDGD	
COCc1nc(Cl)cc(NNC(=O)[C@H](C(=O)O)C(C)C)n1	1604648669	KQGWAKNRKITADZ-SNVBAGLBSA-N	316.745	1.076	50	20	DDGD	
O=C(NC[C@H]1CCCCCN1)NNc1cccc(C(=O)O)c1	1608437016	WFNGZESHSANPNZ-CYBMUJFWSA-N	306.366	1.543	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CCc3n[nH]cc3C2)c(F)c1	1608904358	RFRIGWXCBYACBJ-MRVPVSSYSA-N	318.308	1.495	50	20	DDGD	
CN(C)c1cc(C(=O)NN=C2C[C@H]3C[C@@H](C(=O)O)[C@H]2C3)ccn1	1610105335	XDWMZEDUTVOAQG-YUSALJHKSA-N	316.361	1.364	50	20	DDGD	
CC(COC(C)C)=NNC(=O)[C@H]1CCCO[C@H]1c1nccn1C	1549309220	HPLIUBYSMFNLJF-UONOGXRCSA-N	322.409	1.805	50	20	DDGD	
Cc1ccc2c(c1)CCC2=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549315955	DGVZQUQWQFMUTE-RHSMWYFYSA-N	313.401	1.625	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1ccc(C(=O)O)c(F)c1	1610699523	FSCOQZAFUYQZLZ-UHFFFAOYSA-N	310.672	1.724	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)C1(C)C	1549316032	DQDGBHFHLDQYKC-SGMGOOAPSA-N	309.410	1.157	50	20	DDGD	
O=C1OCCN1[C@@H]1CCN(C[C@H](CBr)C2CC2)C1	859351486	WIZHZAJZTINVLK-NWDGAFQWSA-N	317.227	1.934	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C=NNC(=O)[C@H]1CCOC1	1552455123	WYIJTDZBFYSAME-FRRDWIJNSA-N	306.366	1.026	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@H]2NCCC2(C)C)c1	1578420266	DFKQEGBTAXMOTR-CYBMUJFWSA-N	319.409	1.611	50	20	DDGD	
Cn1c(=NNC(=O)CC[C@@H]2CCCNC2)sc2ccccc21	1579940159	SLLKDWADEWBEMJ-LBPRGKRZSA-N	318.446	1.952	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNc1ccc(F)c(C(=O)O)c1	1588919689	IAHPZZFIRAWHAQ-NEPJUHHUSA-N	309.297	1.494	50	20	DDGD	
CC(C)(C(=O)O)C(=O)COC(=O)/C(C#N)=C\c1ccccc1	1589582660	IPASNQJUKROSDZ-WQLSENKSSA-N	301.298	1.817	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H]2CCCCO2)ccc1-c1nn[nH]n1	1591959169	NLUUAADFQPTNJE-ZDUSSCGKSA-N	314.349	1.194	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccc(C(=O)O)[nH]2)c1F	1598999130	ANMAYLMRTSQMRL-UHFFFAOYSA-N	321.264	1.396	50	20	DDGD	
CCOC(=O)N[C@@H](C(=O)NNc1cccc(C(=O)O)c1)C(C)C	1596657208	CZEZSFZMNLDQKD-GFCCVEGCSA-N	323.349	1.599	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@H]1CCCSC1	1599376251	OBCCXDVTMPTMNQ-JTQLQIEISA-N	310.375	1.980	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](CC(=O)O)c1ccc(F)cc1	1596863722	RZYGOAOJEFYPEZ-STRFDMGBSA-N	306.293	1.902	50	20	DDGD	
COC[C@@H](NC(=O)NNc1ccc(CC(=O)O)cc1)C1CC1	1599172411	BTUPTBFOZSEYAC-CYBMUJFWSA-N	307.350	1.365	50	20	DDGD	
C[C@H]1CC(=O)CC[C@H]1C(=O)NNc1ccc(CC(=O)O)cc1	1594196061	FZAVUWDDWVQIGI-IINYFYTJSA-N	304.346	1.762	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1	1592170935	ZYESFSWKGXFYHO-UHFFFAOYSA-N	317.740	1.914	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cnn(Cc2ccccc2Cl)c1	12609432	HALFWHXIEHVBRA-UHFFFAOYSA-N	318.764	1.756	50	20	DDGD	
Cc1c(C(=O)NNC(=S)NC(C)(C)C)cccc1[N+](=O)[O-]	14894721	ZQOSIOFIVDRPPX-UHFFFAOYSA-N	310.379	1.811	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(O)nc3ccccc23)[nH]n1	151150822	IPSQBXASQUFXCL-UHFFFAOYSA-N	311.301	1.047	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2ccc(OCC(N)=O)cc2)c1	152589812	SMBDMXJBLAPHMZ-UHFFFAOYSA-N	310.313	1.179	50	20	DDGD	
CCCNC(=O)COC(=O)/C(C#N)=C/c1ccc(OC)cc1	3529107	VZBGHRDXDCPWAY-UKTHLTGXSA-N	302.330	1.672	50	20	DDGD	
Cc1noc(C)c1[C@H](C)C(=O)NNC(=O)c1ccc(Cl)nc1	153856098	RQHGPUUSWMHSCZ-ZETCQYMHSA-N	322.752	1.905	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccc(CC(F)(F)F)cc1	156105108	IKRFJTMTJTYSBY-UHFFFAOYSA-N	305.256	1.327	50	20	DDGD	
COc1ccnc(NNC(=O)c2c(F)cc(C#N)cc2F)n1	155274621	FHHOWXAJJSPOFP-UHFFFAOYSA-N	305.244	1.392	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H]2CCCCO2)c(C)c1	154700363	SAMAMAAQRDSATH-CQSZACIVSA-N	305.378	1.432	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)COc1cc(C)cc(C)c1	154944471	PXZLTOJQUIWDOD-UHFFFAOYSA-N	317.389	1.816	50	20	DDGD	
ICCN1CCOC2(CCOCC2)C1	190945787	WBGRGRJTTKMJKM-UHFFFAOYSA-N	311.163	1.303	50	20	DDGD	
CCO[C@@H]1CCCC[C@H]1NS(=O)(=O)CBr	832713226	MDSWKJSHCCSXDG-RKDXNWHRSA-N	300.218	1.606	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCCOC1CCCC1	109018581	OBBHCBGNRVSQBP-UHFFFAOYSA-N	323.368	1.658	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1	106743179	QKEBKTXPZUGVES-UHFFFAOYSA-N	318.377	1.372	50	20	DDGD	
CCCCCCN(C)CC(=O)NNC(=O)c1ccc(C#N)cc1	111587167	YJZQYJMQZGZLGG-UHFFFAOYSA-N	316.405	1.831	50	20	DDGD	
N#CC(C#N)=CNCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1	108249796	UTEWTLJVRHGAHS-KRWDZBQOSA-N	323.400	1.405	50	20	DDGD	
CCOc1ncc(C(=O)NNC(=O)c2cccnc2)cc1Cl	112267768	GSKWLPRVLARWCW-UHFFFAOYSA-N	320.736	1.604	50	20	DDGD	
N#Cc1cccc(NNC(=O)C(=O)Nc2ccc3[nH]ncc3c2)c1	119489783	OWBGUNXUVHABHM-UHFFFAOYSA-N	320.312	1.516	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)OC(C)(C)C)N1CCc2ccccc2C1	111545737	VKPBEZMLIAROJF-LBPRGKRZSA-N	319.405	1.989	50	20	DDGD	
CNC(=O)NNC(=O)Cc1csc(Cc2ccccc2)n1	56377236	YLBVUPQCTMPOAU-UHFFFAOYSA-N	304.375	1.237	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2[C@@H](C)CCC[C@H]2C)n1	104077234	PCSBROGBVIUECM-TXEJJXNPSA-N	324.450	1.404	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1ccccc1C	58835081	HYRKZADZRODSTA-AWEZNQCLSA-N	317.389	1.547	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cncn1-c1ccc(F)cc1	10160696	NYUBTXRQBXAOSS-UHFFFAOYSA-N	304.325	1.819	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CSc1ncc[nH]1	178253921	JOFMONSUKBRBTD-UHFFFAOYSA-N	304.375	1.200	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1cccc(Cl)c1	179361424	APAYCXAABPYCSO-CYBMUJFWSA-N	323.780	1.502	50	20	DDGD	
CCOC(=O)NNC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1	29559919	BCRAPSYLFUAENR-LBPRGKRZSA-N	321.333	1.195	50	20	DDGD	
Cc1cc(NNC(=O)Cc2ccc3c(c2)OCCO3)ncn1	172276158	RPAWLSSBVNEHKP-UHFFFAOYSA-N	300.318	1.242	50	20	DDGD	
O=C(COCCOc1ccccc1)NNc1nccnc1Cl	114894218	AHOZROULUALLAZ-UHFFFAOYSA-N	322.752	1.669	50	20	DDGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCC(C(N)=O)CC1	176979306	UEYYOVBKRQYFSU-LHHJGKSTSA-N	300.318	1.657	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccc(Cl)nc1)N1CCCCCC1	175495966	XJHFJMCUXXLZFR-NSHDSACASA-N	324.812	1.761	50	20	DDGD	
CCCNC(=O)NNC(=O)CCCN(C)C(=O)OC(C)(C)C	67238013	RTFKIRZTSMSHBH-UHFFFAOYSA-N	316.402	1.374	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCc2ccc(C#N)cc2)n1	174484681	ITLPWESXJFEFQQ-UHFFFAOYSA-N	311.345	1.741	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@H]2O)cc(C#N)n1C	305456429	UAPLSRCIWKADJY-HUTFFOLGSA-N	312.373	1.532	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNC(=O)c1ccc2ccccc2n1	28804235	CTPQGQGCCONQKP-ZRDIBKRKSA-N	310.313	1.440	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)c2cccc(Cl)c2)CCCO1	176046311	WPVOWVNNDZUTQK-CQSZACIVSA-N	311.769	1.853	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cnc2ccccc2n1	171511245	DEOVQNRZJFYQTP-UHFFFAOYSA-N	307.313	1.029	50	20	DDGD	
CCn1cc(NC(=O)NNC(=O)c2cc(Cl)ccc2O)cn1	170701604	XXJZBKMYAIAETM-UHFFFAOYSA-N	323.740	1.729	50	20	DDGD	
COCc1cccc(C(=O)NNc2nc(C)cc(OC)n2)c1	174492541	IFDPGUBPMHHIDQ-UHFFFAOYSA-N	302.334	1.697	50	20	DDGD	
CCOc1ncccc1NC(=O)NNc1nccc(OC)n1	63605954	MIXHOPGFJZUFJS-UHFFFAOYSA-N	304.310	1.428	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cccc(CN(C)C)c2)n1	174482589	MUVXWHBKPYOBQN-UHFFFAOYSA-N	315.377	1.612	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@@H]1CCC[C@@H](C(F)(F)F)C1	404935788	HVXLUBNOHHGHAQ-NXEZZACHSA-N	315.100	1.674	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Cc2ccc(F)cc2Cl)cn1	126566555	GUJTXSCSUUXQLG-UHFFFAOYSA-N	310.716	1.216	50	20	DDGD	
COc1ccc(-c2cc(C(=O)NNc3ncccn3)[nH]n2)cc1	122192830	JKTJNXKBXCQPHN-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cccc(F)c1F	77164113	VRXLJSRFDBZYEV-UHFFFAOYSA-N	313.304	1.031	50	20	DDGD	
CN(C)c1ccc(CNC(=O)NNC(=O)C(C)(C)C)cc1F	125347794	NFQAFCNSQOFJPO-UHFFFAOYSA-N	310.373	1.768	50	20	DDGD	
CC1(C)[C@@H]2CC[C@@]1(C(=O)NNC(=O)c1ccccc1)C(=O)C2	39854382	QXQKRVKJSUJWKQ-PXAZEXFGSA-N	300.358	1.843	50	20	DDGD	
CN(C)C(=O)CCNC(=O)NNc1c(F)cccc1Cl	185174330	DQSAZIWRUSYPDR-UHFFFAOYSA-N	302.737	1.584	50	20	DDGD	
CCn1cc(NC(=O)C(=O)NNc2ccc(F)cc2)ccc1=O	181387073	LRQKYOOFHZPZID-UHFFFAOYSA-N	318.308	1.089	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(OCC(F)F)ccn2)nc(C)n1	183545265	SHJNXWQFYYASEZ-UHFFFAOYSA-N	323.303	1.889	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)CC)cc1	42065994	KQTLZNCLTOBMNX-JTQLQIEISA-N	300.380	1.441	50	20	DDGD	
CCSCc1cc(C(=O)NNC(=O)c2ccc(C)o2)no1	184957754	HMQFXDLYODQGFX-UHFFFAOYSA-N	309.347	1.904	50	20	DDGD	
CN(C)C(=O)NNC(=O)COc1ccccc1Br	134534951	YNVQFLRZJXYUBR-UHFFFAOYSA-N	316.155	1.130	50	20	DDGD	
COc1cccc(-c2nc(C(=O)NNc3cnccn3)c(C)[nH]2)c1	131771915	BBLQAKNESHYZSX-UHFFFAOYSA-N	324.344	1.941	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)NCC(C)C)[nH]n2)cc1	42948386	PGAKUDMPOJPFDU-UHFFFAOYSA-N	315.377	1.985	50	20	DDGD	
Cn1nc(Br)cc1C(=O)NNC(=O)CC(C)(C)C	192110172	BJJQYLAXJPQFPS-UHFFFAOYSA-N	317.187	1.380	50	20	DDGD	
CCOC(=O)NCC(=O)NNc1ccc(Br)cc1	194543712	AIAFXMNDEDKJMB-UHFFFAOYSA-N	316.155	1.638	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)c2c(F)cccc2F)[nH]n1	134896558	QRXQBYFLIVHXSE-QMMMGPOBSA-N	308.288	1.561	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc(Br)cc2)ccc1=O	194543665	HQHONWSPYYHVNH-UHFFFAOYSA-N	322.162	1.905	50	20	DDGD	
C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cccc(CCl)c1	228735670	MCEIIEZDLQOMNZ-SNVBAGLBSA-N	301.795	1.685	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NNC(=O)Cc1cccc2ccccc12	255523775	YHVNFNJJBDVICU-QINSGFPZSA-N	323.352	1.974	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)COc2ccccc2O)CCC1	267679215	BGVFBLZZWMNBKA-UHFFFAOYSA-N	321.377	1.682	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(N2CCO[C@H](C)C2)cc1	266381346	HGIAOMXEQLXVBF-SNVBAGLBSA-N	308.338	1.304	50	20	DDGD	
C[C@@H]1CCC[C@@H](NC(=O)NNc2nc(O)c3cnn(C)c3n2)C1	269442971	SUQWRDAWJGWCRO-RKDXNWHRSA-N	319.369	1.274	50	20	DDGD	
CN(C)c1ncc(CNC(=O)NN(C)c2ccccc2)n1C	267875782	DGDHZXWCWVLARF-UHFFFAOYSA-N	302.382	1.337	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCc2cccn2C)cc1	266757264	RXZVIJKXDGJEKE-UHFFFAOYSA-N	316.361	1.243	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)NC2CCCC2)ccc1F	264376723	JAXNHFAQFCVBNH-UHFFFAOYSA-N	315.370	1.569	50	20	DDGD	
CC(C)O[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccc[nH]2)C1(C)C	274493345	KMNAKMLETQTLET-NEPJUHHUSA-N	308.382	1.551	50	20	DDGD	
C#C[C@H](C)NC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	274810127	OPQLAWOYJYWKFK-UWVGGRQHSA-N	305.403	1.839	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ccnc(F)c2)CCCC1	272733542	LDIDINPZRNZEMY-UHFFFAOYSA-N	301.343	1.021	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@H]2CC[C@@H](CC)O2)nc1C	272146488	FMOCDBHVQVFBJF-ZYHUDNBSSA-N	322.365	1.362	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@@H]1CCCN1C1CC1	279005973	KZSPHBHEMDXOMF-AWEZNQCLSA-N	305.353	1.142	50	20	DDGD	
COc1cc(C(=O)NNc2ncccc2C)cc2c1OCCO2	276683598	FVPWDXMCBDVFSD-UHFFFAOYSA-N	315.329	1.927	50	20	DDGD	
Cc1cccnc1NNC(=O)CC1(N2CCOCC2)CCCC1	276753234	QAFQWEYQGYRCKO-UHFFFAOYSA-N	318.421	1.868	50	20	DDGD	
CN1CCC(C(=O)NNc2ccc(C(F)(F)F)cn2)CC1	274744067	MJJLSHMEXKUIBK-UHFFFAOYSA-N	302.300	1.885	50	20	DDGD	
CSSCCNC(=O)N1CC[C@H](C)S(=O)(=O)CC1	367920775	LCAVHYTTXJNECV-VIFPVBQESA-N	312.482	1.216	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NCCCC#N)cc1	273558275	MYTGRYZMTHUADQ-UHFFFAOYSA-N	304.350	1.262	50	20	DDGD	
CN1C(=O)CN(NC(=O)CCCC[C@@H]2CCSS2)C1=O	271458839	WQAKXIVQKPMENP-SECBINFHSA-N	317.436	1.626	50	20	DDGD	
COCc1ccccc1NC(=O)C(=O)NNC(=O)CC(C)(C)C	274090117	TWWFPGDOMNNVDS-UHFFFAOYSA-N	321.377	1.355	50	20	DDGD	
C=CCCOCCNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	270416700	FOFWJRVMRMHRPS-UHFFFAOYSA-N	322.321	1.132	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@@H]2CCN(CC(F)(F)F)C2)c1	280681387	VOQTZAIGNACOGT-SNVBAGLBSA-N	302.300	1.717	50	20	DDGD	
COCCN(C)NC(=O)CCCc1nnc(-c2ccccc2)o1	288419738	HCFRPLJOMQIOCV-UHFFFAOYSA-N	318.377	1.669	50	20	DDGD	
COC[C@@H]1CCCCN(CC(=O)NNC(=O)c2ccccc2)C1	375105497	MUDOIHSQMRCDHH-CQSZACIVSA-N	319.405	1.196	50	20	DDGD	
COc1cc(F)cc(NNC(=O)COCc2ccnn2C)c1	284716178	FKQCUMQWALNHBP-UHFFFAOYSA-N	308.313	1.228	50	20	DDGD	
CC(C)n1cnc(C(=O)NNC(=O)CNc2ccccc2)c1	282023809	PJOITDRZFRXNIL-UHFFFAOYSA-N	301.350	1.337	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCC[C@@H]2CCCCO2)n1	280182783	GSFPWEZWCNRFNA-LBPRGKRZSA-N	306.366	1.293	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H](C)c2ncc(C)s2)n1	280969695	SYUNZGAJJURDGW-JTQLQIEISA-N	319.390	1.860	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)c1cccc(Cl)c1	285153003	OWEVYCVIEURCEH-GHMZBOCLSA-N	310.737	1.300	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(Br)c(C)c1	297099270	NHKHEAAKKKZZMV-UHFFFAOYSA-N	301.184	1.981	50	20	DDGD	
CCCc1cnc(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)s1	297074139	YXUIYDUPOMRTHA-WPRPVWTQSA-N	312.395	1.816	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cc2n(n1)CCC2)c1ccccc1	294649724	POGQCJNPJCGOAS-CQSZACIVSA-N	312.373	1.784	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccnc2)c(C)c1OC	804145725	NSDAHQFKTQIXQL-UHFFFAOYSA-N	315.329	1.482	50	20	DDGD	
COc1cc(C(=O)NNC(=O)N(C)C)ccc1OC(F)F	299401124	VTSDQJDRCRCNIZ-UHFFFAOYSA-N	303.265	1.213	50	20	DDGD	
C[C@H]1CCCN(C[C@@H](C)NC(=O)NNc2ncncc2F)C1	293046998	OZFZORACUQQVGS-WDEREUQCSA-N	310.377	1.362	50	20	DDGD	
Cc1c(F)cccc1S(=O)(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	295255133	XGGHQPXNTKHCQL-KWQFWETISA-N	316.354	1.011	50	20	DDGD	
CCc1c(C(=O)NNc2ncncc2F)[nH]c(C)c1C(C)=O	293901954	FUNXOLCYMMSHRW-UHFFFAOYSA-N	305.313	1.774	50	20	DDGD	
CNC(=O)c1cccc(NC(=O)NNc2ncccc2F)c1	806164683	APEFISONFMLKNB-UHFFFAOYSA-N	303.297	1.729	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H]1CSc2ccccc21	802036051	OKIBANKDEBVETC-GFCCVEGCSA-N	314.370	1.546	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@]23CC[C@@H](CC2=O)C3(C)C)n1	295137653	KOLVUFZUVHFCDV-APPDUMDISA-N	315.373	1.546	50	20	DDGD	
CC(C)Oc1ccc(CNC(=O)NNC(=O)[C@@H]2CCCO2)cc1	291610236	HOYJEPWBHBTERX-AWEZNQCLSA-N	321.377	1.483	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1coc2c1C(=O)CCC2	295691835	ZCXBIHJUOPGYNA-LBPRGKRZSA-N	306.318	1.129	50	20	DDGD	
O=C(NNC(=O)c1cncs1)c1cc(-c2ccccc2)[nH]n1	807314396	FYHOHMYDSKTGMA-UHFFFAOYSA-N	313.342	1.608	50	20	DDGD	
CN(C)C(=O)NNC(=O)CCOc1ccc2ccccc2c1	299350773	CJLSBDJSSRSAMO-UHFFFAOYSA-N	301.346	1.911	50	20	DDGD	
CS(=O)(=O)Cc1cccc(C(=O)NNc2ncccc2F)c1	804214705	NHQONXXIFJBWJA-UHFFFAOYSA-N	323.349	1.522	50	20	DDGD	
CCN1CCO[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2C)C1	805379708	MWSFQHXNWKLMQF-ZDUSSCGKSA-N	308.338	1.067	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Nc2ccnc(OC)n2)cc1	801726662	JBXSLYSEWZCSHW-UHFFFAOYSA-N	315.333	1.514	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCSC1)c1cc(Cl)ccc1O	809991922	FPVCRYGWMHMTCI-QMMMGPOBSA-N	314.794	1.950	50	20	DDGD	
CC/C=C(\C)C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	298436939	QOCULGHPUKXCFB-JXMROGBWSA-N	322.361	1.830	50	20	DDGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1cnn(C)n1	814748376	KWOFTLSQKSBVCV-LBPRGKRZSA-N	323.356	1.886	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C12CCC(C(=O)OC)(CC1)CC2	816006911	QKRSFXNTTOWHOP-UHFFFAOYSA-N	311.382	1.193	50	20	DDGD	
CCCN(CC)C[C@H](C)NC(=O)NNc1ncncc1Cl	811977038	BGUYJHZSOOWJIW-JTQLQIEISA-N	314.821	1.877	50	20	DDGD	
Nc1ncc([N+](=O)[O-])cc1C(=O)NNc1cccc(Cl)n1	817010034	IZLOLSHYMIUSHM-UHFFFAOYSA-N	308.685	1.377	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1	816816767	HWRLNOCFPRQJPR-QGZVFWFLSA-N	323.396	1.970	50	20	DDGD	
CC[C@H](C(=O)NN=C1CCN(CCO)CC1)c1ccccc1	819808459	WDLUPWXMZHURPZ-INIZCTEOSA-N	303.406	1.741	50	20	DDGD	
O=C1CC[C@@]2(C(=O)NNc3cccc(Cl)c3)SCCN12	811890610	WFQIVNIRNFEQFZ-ZDUSSCGKSA-N	311.794	1.849	50	20	DDGD	
CN1CCC(CC(=O)NNc2nc(-c3cccnc3)no2)CC1	813447171	BVJPHBGCRCIQSM-UHFFFAOYSA-N	316.365	1.307	50	20	DDGD	
Cc1cc(Cl)cnc1NC(=O)C(=O)NNc1ncccc1F	812994464	JWKRTXMHSMTKHT-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
Cn1nncc1NNC(=O)c1csc(Nc2ccccn2)n1	816770554	CCOAOMQRGFOJAI-UHFFFAOYSA-N	316.350	1.167	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1ccc(-n2ccnc2)cc1	814955031	VAUXRWAZQPCXEW-UHFFFAOYSA-N	308.345	1.678	50	20	DDGD	
CCOc1ccc(C=NNC(=O)Cc2cc[nH]n2)cc1OCC	814955776	XKBBTDUPHFEAKX-UHFFFAOYSA-N	316.361	1.900	50	20	DDGD	
N#Cc1ccsc1NC(=O)C(=O)NNc1cccc(Cl)n1	815728549	IMOMGTPQSDSRNL-UHFFFAOYSA-N	321.749	1.750	50	20	DDGD	
CC(=NNC(=O)[C@H](C)Oc1ccc(F)cc1)c1cc(CO)on1	812225216	UZGVPEARFNOEGQ-JTQLQIEISA-N	321.308	1.614	50	20	DDGD	
CO[C@](C)(C=NNC(=O)COc1ccc(C#N)cc1)C1CC1	814722292	SVBYKLKBSLIMGG-MRXNPFEDSA-N	301.346	1.854	50	20	DDGD	
Cc1ncc(CO)c(C=NNC(=O)c2cccc(C#N)c2)c1O	728781494	OHZXEDDLADPYMQ-UHFFFAOYSA-N	310.313	1.224	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CC23CCSCC3)c(O)c1	825498822	QQFCIHWTJHCGET-GFCCVEGCSA-N	320.414	1.995	50	20	DDGD	
O=C(Cc1ccccc1O[C@H]1CCOC1)NN=c1cc[nH]cc1	828073176	NKCQEDDZAFWPCV-HNNXBMFYSA-N	313.357	1.357	50	20	DDGD	
COc1cc(C=NNC(=O)Cc2cccnc2)ccc1OCC#N	728784888	WOEBKWLQDPRDNS-UHFFFAOYSA-N	324.340	1.685	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1C[C@H]1c1ccccc1F	826950941	AIHULLCPGCKZIU-IUCKATPISA-N	321.352	1.437	50	20	DDGD	
COc1ccc(COCCCC(=O)NN(C)[C@H](C)CO)cc1	823939854	QKFHULPAQWFQBF-CYBMUJFWSA-N	310.394	1.336	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCC(=O)Nc1c(F)cccc1F	823912146	ALOYLUJEJQWWHU-VIFPVBQESA-N	315.320	1.027	50	20	DDGD	
CCN(CCO)NC(=O)c1cccc(OCC(F)(F)F)c1	823869177	CAPFLCQZSQXRCR-UHFFFAOYSA-N	306.284	1.587	50	20	DDGD	
COC(=O)N(C)NC(=O)C[C@@H](c1ccccc1)c1ncc[nH]1	496942174	XABQIRCSXITZED-LBPRGKRZSA-N	302.334	1.661	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@](C)(O)C1CCC1	822730579	AOFZIGUFVVQIHX-OAHLLOKOSA-N	310.325	1.607	50	20	DDGD	
Cn1cc(-c2ccc(C(=O)NNC(=O)CC(C)(C)C)o2)cn1	825726842	BMXGYCRVWODORY-UHFFFAOYSA-N	304.350	1.877	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H](C)[C@H](C)c1ccccc1	826121572	MQZPFFBQBCKGMI-PWNZVWSESA-N	319.405	1.934	50	20	DDGD	
C[C@@H](CC(=O)O)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	827303461	FQLSWZSUXZTFLS-DKHPWKACSA-N	322.405	1.851	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N(C)Cc1cccc(F)c1	827314618	HISFXMKEYVTMMF-ZWNOBZJWSA-N	309.341	1.423	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNc1ccc(Cl)nn1	496550745	OKGJSJHLWJEBGV-XVKPBYJWSA-N	315.761	1.344	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@H]1CC=CCC1	826445568	ZNBAJESNXMZSDX-QMMMGPOBSA-N	319.756	1.715	50	20	DDGD	
N#C/C(=C\c1ccc(-c2nn[nH]n2)o1)C(=O)Nc1nccs1	822796305	PMYFSPMCMJBQOE-FNORWQNLSA-N	313.302	1.462	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCOCC3(CCC3)C2)cn1	491049649	NQJUBGCUAYMZCQ-VGOFMYFVSA-N	300.362	1.356	50	20	DDGD	
CC(C)(C)c1coc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)n1	905487132	XOVVRGKBNVQJPW-NEPJUHHUSA-N	320.393	1.285	50	20	DDGD	
CN(C(=O)/C(C#N)=C\c1c(C(=O)O)cnn1C)C1CCCCC1	901474262	LMWOMWVYXLCBKP-FLIBITNWSA-N	316.361	1.816	50	20	DDGD	
CN1CCC(C#N)(NC(=O)/C(C#N)=C/c2ccc(O)cc2)CC1	491176404	PJPRNCMSONUCFH-GXDHUFHOSA-N	310.357	1.403	50	20	DDGD	
Cc1ccc(C)c(C2=NO[C@@H](C(=O)NNC(=O)C3CCC3)C2)c1	900659207	LNZDTNHMLYTNDD-OAHLLOKOSA-N	315.373	1.744	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2	492786682	ARKCCDZWXGRZLM-SECBINFHSA-N	313.354	1.021	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)N[C@@H]2CC=CCC2)c1	737063073	BNCPFLGNFRRDAJ-GFCCVEGCSA-N	319.361	1.757	50	20	DDGD	
CN(NC(=O)CN(C)[C@@H]1CCSC1)C(=O)OC(C)(C)C	496254731	MYDBPSAQOMKYOG-SNVBAGLBSA-N	303.428	1.322	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)cc1	822221757	DTNRHOYWHASVQH-SGMGOOAPSA-N	315.373	1.517	50	20	DDGD	
C[C@H](NC(=O)[C@@]1(C)C[C@@H]1Br)c1nnnn1C1CC1	907712452	HGZSDKLULBHJLK-RASWFIQWSA-N	314.187	1.359	50	20	DDGD	
CC(C)[C@H]1C[C@@H](CNCc2ccc(B(O)O)cc2F)CCO1	585044147	ZNFACKNRWHIWEI-BLLLJJGKSA-N	309.190	1.046	50	20	DDGD	
CC(C)[C@@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1	584947576	VFFGTWLNIYNHIY-GFCCVEGCSA-N	307.174	1.404	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1c(F)cccc1-n1cccn1	839248125	PJMZPXPOFPTCNR-UHFFFAOYSA-N	316.336	1.963	50	20	DDGD	
COc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)CC(F)(F)F	839557608	ZSNPBIQQZJFTAI-VHSXEESVSA-N	316.279	1.899	50	20	DDGD	
O=C(CC1CCOCC1)NNC(=O)c1cc2c(s1)CCC2	735269221	GSFXPZOZJKHTOQ-UHFFFAOYSA-N	308.403	1.815	50	20	DDGD	
CCCN(CC)C[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCCCO1	836465040	HGUOZAATKXXGFV-OLZOCXBDSA-N	314.430	1.006	50	20	DDGD	
C=CCN(CC1CCCCC1)C(=O)c1cc(B(O)O)ccc1F	584944941	NSCDCXGXTQEUTE-UHFFFAOYSA-N	319.185	1.714	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H](N2[C@@H](C)CC[C@H]2C)C1	735493602	YQJKSBMQJNQKDA-XGUBFFRZSA-N	324.469	1.270	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NCc2ccc(O)nn2)c(C)c1	838636566	ZXGCMRTYOYONBO-UHFFFAOYSA-N	301.350	1.934	50	20	DDGD	
CS(=O)(=O)CCC(=O)NNc1cccc(Cl)c1Cl	839798034	QPDOSLOESROBLV-UHFFFAOYSA-N	311.190	1.871	50	20	DDGD	
C[C@H](CN1CCCC1=O)NC(=O)[C@]1(C)C[C@@H]1Br	906343308	GTOKJMJSCMDGFG-VDDIYKPWSA-N	303.200	1.287	50	20	DDGD	
COCC1(O)CCN(C(=O)[C@]2(C)C[C@@H]2Br)CC1	907148482	BXXZTVSOACIDQT-GXSJLCMTSA-N	306.200	1.160	50	20	DDGD	
OB(O)[C@H]1CCN(c2nc(-c3cc(F)cc(F)c3)ns2)C1	585078506	FMFMJQUYDZGMOI-QMMMGPOBSA-N	311.122	1.536	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1coc2c(F)c(F)ccc12	907253559	VQBPSMJXBQMBRE-UHFFFAOYSA-N	311.288	1.946	50	20	DDGD	
CCSc1cccnc1C(=O)NNC(=O)NCC(F)(F)F	831753482	AGOWZOHWIREAJU-UHFFFAOYSA-N	322.312	1.700	50	20	DDGD	
Nc1ccc(C(=O)NNc2cnnc3ccccc23)cc1[N+](=O)[O-]	733813601	XJLIFHLJFWHYRS-UHFFFAOYSA-N	324.300	1.877	50	20	DDGD	
CCCN(C)CC(=O)NNc1cccc(Br)n1	837210220	HAFKPUAKMMMHIK-UHFFFAOYSA-N	301.188	1.629	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1cncnc1C1CC1	836222789	HHOPIQYVQZVXQJ-UHFFFAOYSA-N	314.320	1.497	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@](C)(OC)C2CC2)ccc1F	837039046	MNRYBQFSDFETAA-HNNXBMFYSA-N	310.325	1.871	50	20	DDGD	
COC[C@@H](C)CNC(=O)NNc1cccc(C(=O)OC)c1F	838484150	XEJNFVFEYLTXMC-VIFPVBQESA-N	313.329	1.521	50	20	DDGD	
CN1CC[C@@H](C(=O)NNC(=O)[C@H]2CCCCO2)c2ccccc21	833246215	FZHVVINFTILANJ-UKRRQHHQSA-N	317.389	1.327	50	20	DDGD	
Cc1noc(C)c1C=NNC(=O)[C@H]1COc2ccccc2O1	916292200	REVLGPRPIPIAOT-CQSZACIVSA-N	301.302	1.582	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCC[C@H](C)CC2)cc1	745170648	FVRFNTZMSMEKCH-ZDUSSCGKSA-N	303.406	1.878	50	20	DDGD	
C[C@@H](CCCN)NC(=O)NNC(=O)c1ccc(Cl)cc1F	841999220	DHVPAKPRXHYGJD-QMMMGPOBSA-N	316.764	1.551	50	20	DDGD	
COC(=O)COc1ccc(C(C)=NNC(=O)c2ccc[nH]2)cc1	744998628	ADGUWBVGBDHVRX-UHFFFAOYSA-N	315.329	1.721	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCOC[C@H]2CCCO2)c(O)c1	918339913	WSHUAZMAADKWJJ-GFCCVEGCSA-N	322.361	1.047	50	20	DDGD	
CCC(N)(CC)CNC(=O)NNC(=O)c1cccc(C#N)c1	841951911	LSRIJPQIUJHQDU-UHFFFAOYSA-N	303.366	1.020	50	20	DDGD	
C[C@@H]1CN(C[C@@H](C)C(=O)NN=Cc2ccc(O)cc2)C[C@@H](C)O1	916372217	PBXQHVGDYYSHSS-MGPQQGTHSA-N	319.405	1.588	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1COc2cc(OC)ccc2C1	747421650	BDUGICZTEXQZOP-LBPRGKRZSA-N	321.377	1.377	50	20	DDGD	
CCS(=O)(=O)CCCNC(=O)NNc1ccccc1Cl	840470172	UFGDCOYTBPBIHF-UHFFFAOYSA-N	319.814	1.791	50	20	DDGD	
CN1CCN(CC(=O)NNC(=O)C(C)(C)C)Cc2ccccc21	744396816	RJYJUAVIVWFZMY-UHFFFAOYSA-N	318.421	1.132	50	20	DDGD	
O=C(NCCOC[C@H]1CCCO1)NNc1ccc(F)c(F)c1	918988566	LCETWZIPOWTCCG-LLVKDONJSA-N	315.320	1.787	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)COCc2ccccc2)s1	749401123	VVOOHNDBHAXDBS-UHFFFAOYSA-N	315.354	1.598	50	20	DDGD	
Cn1ncc2cc(C(=O)NNc3ccccc3[N+](=O)[O-])cnc21	747348509	MJMGVGCEHHWYRV-UHFFFAOYSA-N	312.289	1.633	50	20	DDGD	
Cc1cccc(C=NNC(=O)C(=O)NN=Cc2cccc(C)c2)c1	916266010	DFRJADGYAQCMBC-UHFFFAOYSA-N	322.368	1.904	50	20	DDGD	
O=C1CN(S(=O)(=O)c2ccc(CCl)cc2)CN1C1CC1	915082811	JNYVYTHAHCAHSM-UHFFFAOYSA-N	314.794	1.378	50	20	DDGD	
O=C(NNc1cccc2cnccc12)[C@@H]1CCS(=O)(=O)C1	748767191	NTMYPAWRVDSAAR-LLVKDONJSA-N	305.359	1.113	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CC(F)(F)F)cc1[N+](=O)[O-]	746686872	WGGFPRJYQKLICB-UHFFFAOYSA-N	319.239	1.871	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)c2ccccc2C)CCCC1	843753698	CNUASRMPAZLBLJ-UHFFFAOYSA-N	318.373	1.880	50	20	DDGD	
COC[C@](C)(O)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	748730125	JVBJBRFJVHFPDJ-NSHDSACASA-N	303.702	1.089	50	20	DDGD	
O=C(CN1C(=O)COc2ccccc21)NNc1cccc(F)c1	748091173	JCEABJYYLBHKID-UHFFFAOYSA-N	315.304	1.694	50	20	DDGD	
C[C@H]1CCCc2ncc(C(=O)NNC(=O)c3cccc(C#N)c3)n21	844379878	QUGLXMJBKMCJOT-NSHDSACASA-N	323.356	1.727	50	20	DDGD	
Cc1cc(C)c(NNC(=O)c2cn(C)c(=O)nc2O)c(C)c1	743764623	OMEHUEZIWCQSJC-UHFFFAOYSA-N	302.334	1.168	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cc([N+](=O)[O-])cnc2O)n1	748333935	GKHRIIUFBMBBJM-UHFFFAOYSA-N	324.684	1.204	50	20	DDGD	
COc1ccc2c(c1OC)OCC2=NNC(=O)[C@H]1CCO[C@@H]1C	842549576	OISLOYWOPKMWPQ-ZJUUUORDSA-N	320.345	1.342	50	20	DDGD	
O=C(NN=Cc1cccc(O)c1)c1cc([N+](=O)[O-])ccc1O	741773847	OLCHENHHILTBNQ-UHFFFAOYSA-N	301.258	1.770	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CCCn2cccn2)cc1	846372622	XKWFHLXGWVSCFJ-UHFFFAOYSA-N	316.361	1.522	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2ccc(F)c(F)c2)n1	746756159	IETUYGZOIDYMGU-UHFFFAOYSA-N	323.303	1.898	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)c1ccncc1)C(=O)OC(C)(C)C	843749579	LXQXMRNXLZZWGM-LBPRGKRZSA-N	321.377	1.457	50	20	DDGD	
Cc1ccccc1NCCC(=O)NNC(=O)C1CCOCC1	923066821	OXHLAQMYJPWSGA-UHFFFAOYSA-N	305.378	1.371	50	20	DDGD	
CC[C@@](C)(O)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	929366355	FPXLCTOMMBTOQG-OAHLLOKOSA-N	310.419	1.939	50	20	DDGD	
O=S(=O)(CBr)N1CCSC[C@H]1C1CCC1	841573870	FEPPIUKXTYNDDP-VIFPVBQESA-N	314.270	1.886	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@@H](C)NC(=O)NNC(=O)c1ccc(C)o1	840418298	SPYZXXKBWZTJDM-MEBBXXQBSA-N	309.366	1.736	50	20	DDGD	
CC[C@H]1CCC[C@@H]1C(=O)NN(C)C(=S)NCCCOC	854286393	ZKDOAPYBDHTQME-RYUDHWBXSA-N	301.456	1.687	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(F)c(OC)c(F)c1	756149273	UPRZLTYEOCLLTJ-UHFFFAOYSA-N	303.265	1.163	50	20	DDGD	
CC[C@@H](C)[C@@H](CNC(=O)NNc1ncc(Cl)cn1)OC	856908440	RACFGAYALYNSMZ-PSASIEDQSA-N	301.778	1.817	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2ccc3c(c2)OCO3)nc1	758000691	SRDCZWJYJHCKIC-UHFFFAOYSA-N	314.301	1.585	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1CC1	852594889	OOUMCHDSVVKPDD-SNVBAGLBSA-N	314.386	1.030	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1CC(=NNC(=O)c2cc[nH]n2)C1(C)C	853391197	CLBPYCHMNJOZSM-JTQLQIEISA-N	321.381	1.819	50	20	DDGD	
Cc1nnc(CNC(=O)NC[C@]2(C)C[C@@H]2Br)o1	856848917	DRSVPSUZFFTYAX-XVKPBYJWSA-N	303.160	1.351	50	20	DDGD	
CN1C[C@H](NC(=O)NNc2ccc(Cl)c(F)c2)CC1=O	750653517	VXKRFFBAODGPLB-MRVPVSSYSA-N	300.721	1.336	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccccc1Cn1cncn1	756152066	KTDMBKBMZJARIG-UHFFFAOYSA-N	316.365	1.525	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNC(=O)c2cn[nH]c2)C1(CC)CC	858269776	MMUAQSOYRNCHID-NEPJUHHUSA-N	323.397	1.338	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccccn1)N1CCc2ccccc21	920758245	OOJURSPZRMXSNH-LBPRGKRZSA-N	310.357	1.294	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cc1cnn2ccccc12)C1CC1	855094589	CCABGHOBMIIXOT-SNVBAGLBSA-N	317.418	1.171	50	20	DDGD	
CC(C)C[C@H](CO)NC(=O)NC[C@@]1(C)C[C@@H]1Br	856894534	UJQJTYNGMWDBMR-JFGNBEQYSA-N	307.232	1.866	50	20	DDGD	
CCC[C@@H]1CNCCN1C(=O)NC[C@@]1(C)C[C@@H]1Br	857105990	WLRRBRXFRPGKKY-NTZNESFSSA-N	318.259	1.943	50	20	DDGD	
COc1ccc(OC)c(C(=O)NNC(=O)OCC(F)(F)F)c1	856024580	ARIITPGWHIOKAD-UHFFFAOYSA-N	322.239	1.637	50	20	DDGD	
Cc1ncc(C=NNC(=O)[C@H](C)Oc2ccc(F)cc2)n1C	853275227	MWSLCXFOMVXAQW-JTQLQIEISA-N	304.325	1.785	50	20	DDGD	
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NNC(=O)C1CCC1	755300729	FGGUPTOBHCUZID-VIFPVBQESA-N	314.386	1.030	50	20	DDGD	
O=C(COC(=O)C1CC2(CC2)C1)NNC(=O)c1ccccc1	850213250	XHHPKQDBUVEDLR-UHFFFAOYSA-N	302.330	1.181	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)[C@H]1CCc2nccn2C1	855621326	OTHPJZRICSMUBP-VIFPVBQESA-N	319.296	1.636	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NCC2CC2)c(=O)oc2ccccc12	750610155	LAALNIBXLMNION-UHFFFAOYSA-N	315.329	1.455	50	20	DDGD	
C[C@]1(CN[C@H](Cc2ccccc2)C(N)=O)C[C@H]1Br	857247592	YPWGSPCCPFHTCW-YRGRVCCFSA-N	311.223	1.846	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(N)c(OC(F)(F)F)c1	854921464	RZLSILRRSRKFLK-UHFFFAOYSA-N	322.312	1.248	50	20	DDGD	
Cc1cc(=NC(=O)NNC(=O)c2ccc(C#N)cc2)c(C)c[nH]1	757809867	FQEPTJFWCIXLIL-UHFFFAOYSA-N	309.329	1.459	50	20	DDGD	
NC(=O)c1cccc(C=NNC(=O)COc2ccccc2F)c1	755511582	XUTRSLDKCRYESE-UHFFFAOYSA-N	315.304	1.454	50	20	DDGD	
COCc1csc(C=NNC(=O)Cn2nc(C)cc2C)c1	853276162	AONJYEGBOADHDH-UHFFFAOYSA-N	306.391	1.858	50	20	DDGD	
CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NN(C)C(=S)NC	854924023	CCESPAORHFLMBR-SRVKXCTJSA-N	301.456	1.828	50	20	DDGD	
COC[C@]1(C)NC(=O)N(C[C@]2(C)C[C@@H]2Br)C1=O	857227138	GULRORHPORZYIN-SWPVVBRQSA-N	305.172	1.117	50	20	DDGD	
C[C@]1(CNC(=O)CCOC[C@@H]2CCCO2)C[C@@H]1Br	857397092	DBSIODAYGISOGF-GMXVVIOVSA-N	320.227	1.862	50	20	DDGD	
C[C@@]1(CNC(=O)NCCn2cccc2)C[C@H]1Br	856838872	FBIMZJMZJRQEHI-PWSUYJOCSA-N	300.200	1.961	50	20	DDGD	
C[C@@H]1C[C@H]1C(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1	753780148	OKMPKOYCKGZSKY-LDYMZIIASA-N	310.737	1.300	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(Oc2ccccc2)ccc1O	769719001	AYVRBWABSIYNAS-UHFFFAOYSA-N	301.302	1.758	50	20	DDGD	
Cc1csc(C(=O)NNC(=S)NC2CCN(C)CC2)c1	863205304	UIOBLCFCNLYEFK-UHFFFAOYSA-N	312.464	1.260	50	20	DDGD	
C[C@H]1Cc2cc(NC(=O)NNC(=O)c3cccn3C)ccc2O1	933149091	BONDYCDDPRXPDA-JTQLQIEISA-N	314.345	1.815	50	20	DDGD	
CC(C)(C)c1ccccc1S(=O)(=O)N1CC[C@H](B(O)O)C1	864230596	AUQAFVSOIMVKKB-NSHDSACASA-N	311.212	1.222	50	20	DDGD	
COC(=O)C[C@H](NC(=O)[C@@]1(C)C[C@@H]1Br)C1CC1	934413154	SMVVZBZLGIPEGU-AUTRQRHGSA-N	304.184	1.618	50	20	DDGD	
Cc1cc(C(F)(F)C(=O)NNC(=O)N(C)C)cnc1Cl	931120180	XLOGTAXTWMGEBT-UHFFFAOYSA-N	306.700	1.438	50	20	DDGD	
CCCCOc1ccccc1C=NNC(=O)CS(C)(=O)=O	863186588	CSXRFPLLTVYIBJ-UHFFFAOYSA-N	312.391	1.360	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)[C@H](F)c1ccccc1	769380159	YJRGZOQMHDXGTF-OAHLLOKOSA-N	318.304	1.629	50	20	DDGD	
COc1cccc(C[C@H](C)CC(=O)NNC(=O)C(C)(C)O)c1	935564262	YLIINDCLAKWCIK-NSHDSACASA-N	308.378	1.182	50	20	DDGD	
Cc1cc2occ(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)c2cc1C	862461334	OCRARAFWQROFEP-LBPRGKRZSA-N	315.329	1.089	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CC1CC1)n1ccc(C(F)(F)F)n1	868590018	JZALAKFBSSIYFU-SSDOTTSWSA-N	304.272	1.410	50	20	DDGD	
CCCCOC(=O)/C(C#N)=C\c1cn(C[C@H]2CCCO2)nn1	865215873	ZTVLSOULWJZPPE-ICDLMJIXSA-N	304.350	1.707	50	20	DDGD	
CC(C)C(Cc1ccc(F)cc1)=NNC(=O)[C@H]1CCC(=O)N1	863148692	IFXZUZCNLVQTFQ-CYBMUJFWSA-N	305.353	1.775	50	20	DDGD	
CC(C)COc1ccc(C=NNC(=O)[C@H]2CCC(=O)N2)cc1	863149215	UULHXGYOAOFXGG-CQSZACIVSA-N	303.362	1.450	50	20	DDGD	
Cc1cnn(CCC(=O)NNCC(F)(F)C(F)(F)F)c1	863094675	OKBUIXQBEPKFIH-UHFFFAOYSA-N	300.231	1.400	50	20	DDGD	
COC(=O)c1cccc(Cl)c1COc1ccc(B(O)O)cc1	864048191	FCXPNNOKRWBPKD-UHFFFAOYSA-N	320.537	1.385	50	20	DDGD	
CCCCCCNC(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1118813880	PKXITSANYFOLQK-MFKMUULPSA-N	319.243	1.973	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)[C@@H]2CCC(=O)N2)cc1OC	863145010	DIHOGVYHUXQACF-LBPRGKRZSA-N	319.361	1.213	50	20	DDGD	
COCC(=O)NN=Cc1cn(CCC#N)nc1-c1ccccc1	761822089	VFGZSTGUUZHEID-UHFFFAOYSA-N	311.345	1.560	50	20	DDGD	
CCc1cccc2c1N(C(=O)C(=O)NNc1cnccn1)CC2	766260425	OCOFLTSEFRXMBA-UHFFFAOYSA-N	311.345	1.071	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1cccc(N2CCCC2)c1	763816963	TYKFMLDAUFUXQV-UHFFFAOYSA-N	318.377	1.029	50	20	DDGD	
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN[C@@H](C)C(F)(F)F	862312647	QJRSNDUKBGNPDL-YUMQZZPRSA-N	313.320	1.861	50	20	DDGD	
CC(=O)Nc1ccccc1CC(=O)NNC(=O)c1ccccn1	767395578	DYORCAJZKWZRMW-UHFFFAOYSA-N	312.329	1.044	50	20	DDGD	
Cc1ncc([C@H](C)NCC(=O)NNC(=O)c2cccs2)s1	879252655	WZRQVGZTORXSKR-QMMMGPOBSA-N	324.431	1.625	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1cnc2[nH]cncc1-2	872336882	OHNKCLBQWVNHLA-LBPRGKRZSA-N	314.393	1.482	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(N2CCO[C@H](C)C2)cc1	878772643	AWVQZXTYMVXCBX-CYBMUJFWSA-N	322.409	1.526	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1cc(Cl)cc(C(=O)O)c1C	763417225	RNROGXPVOCRONG-UHFFFAOYSA-N	320.754	1.066	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)C2(O)CCOCC2)c1	873756206	CMJZGEUBIZISIR-UHFFFAOYSA-N	323.418	1.163	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)CN3CCCC3)cc2C1	873810659	XGKPIHLGAXQTOC-LLVKDONJSA-N	321.446	1.730	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1	778293826	VJFGCYUSAAUKAB-NSHDSACASA-N	318.295	1.412	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@H]2CC[C@H](C)C2)cc1	776451447	DFCRXADJAHRRMJ-RYUDHWBXSA-N	305.378	1.691	50	20	DDGD	
N#Cc1cccc(C(=O)NN=Cc2ccc(O)c(C(=O)O)c2)c1	777440261	FTGWVWHTIXSRCE-UHFFFAOYSA-N	309.281	1.726	50	20	DDGD	
CC(C)c1nc(C=NNC(=O)C[n+]2ccccc2)c2ccccn12	1116886515	LPNWYWFEDPNBOA-UHFFFAOYSA-O	322.392	1.896	50	20	DDGD	
CC(C)NC(=S)NNC(=O)COc1ccc2c(c1)CCCC2	1116287034	YBTOLZSUVLXARN-UHFFFAOYSA-N	321.446	1.848	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H](C)OC[C@@H]1CCCO1	777773148	UGGQJSYQRHIXIP-RYUDHWBXSA-N	322.361	1.500	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCCCCC(=O)OC(C)(C)C	875327200	ZKHQSGNYLKROPM-UHFFFAOYSA-N	317.386	1.801	50	20	DDGD	
COC(=O)c1cnc(C(=O)NNc2ccc(F)cc2F)cn1	779674165	FLYWKZHJPDEBRF-UHFFFAOYSA-N	308.244	1.298	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(C)nn1-c1ccccn1	878071515	SGSXUQIYLAIEAE-UHFFFAOYSA-N	304.354	1.190	50	20	DDGD	
COC(OC)C(=O)NNC(=O)COc1cc(C)ccc1C(C)C	873752576	YNLPXMKQPCEXSG-UHFFFAOYSA-N	324.377	1.264	50	20	DDGD	
CC(C)C(=O)N1CCC(C(=O)NNc2ccc(F)cn2)CC1	874651983	ZYKQVQHMVVKRTQ-UHFFFAOYSA-N	308.357	1.558	50	20	DDGD	
CN(NC(=O)c1ccoc1COc1ccc(C=O)cc1)C(N)=O	778417144	OBVNKVJQMSZFKG-UHFFFAOYSA-N	317.301	1.326	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)C(C)(C)C	772135646	IDENGJNBPWCZKQ-QWRGUYRKSA-N	300.399	1.794	50	20	DDGD	
COc1ncnc(OC)c1C(=O)NNc1cc(Cl)ccn1	778447128	UJNHIGPVNGXESE-UHFFFAOYSA-N	309.713	1.299	50	20	DDGD	
CC[C@@H](CO)C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	779579675	QZGZDQVQZWCVNY-OLZOCXBDSA-N	308.378	1.237	50	20	DDGD	
CC(C)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)C2CCOCC2)C1	883325845	LDWLFOGZJZPEJD-ZIAGYGMSSA-N	311.426	1.958	50	20	DDGD	
O=C(C[C@H]1CCc2ccccc21)NNC(=O)C1CCOCC1	883063646	WUVYDQRSHIKEND-CQSZACIVSA-N	302.374	1.681	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1ccc(C(F)(F)F)cn1	775257860	YKKVMXNVWQADOI-NSHDSACASA-N	312.295	1.641	50	20	DDGD	
CCO[C@@H]1C[C@](O)(CNS(=O)(=O)CCCCl)C1(C)C	882117506	IMGWKNJFSCLXIR-PWSUYJOCSA-N	313.847	1.101	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1OC	889483260	JWEBGOQHZWPYGB-VHSXEESVSA-N	323.349	1.282	50	20	DDGD	
Cc1cc(C)cc([C@@H](C)NC(=O)NNC(=O)c2cccnn2)c1	883348880	HQDUBIKFXISOJN-GFCCVEGCSA-N	313.361	1.799	50	20	DDGD	
COC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccncc1	788342676	AVZAKRNCUOUCBF-UKTHLTGXSA-N	307.313	1.939	50	20	DDGD	
CSc1ccccc1NC(=O)C(=O)NNc1cc(C)ncn1	783946263	XGPDGVPPVGEXCS-UHFFFAOYSA-N	317.374	1.589	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1nc(C(C)C)ncc1Cl	887143314	UCLIOGVMDGXGQA-UHFFFAOYSA-N	308.769	1.818	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H](C(=O)NNC(=O)CC(F)(F)F)C1(C)C	781911502	YONDENQVUMCFNM-YUMQZZPRSA-N	308.300	1.728	50	20	DDGD	
N#CCC(=O)NCc1cn(/C(Cl)=C\CBr)nn1	881310230	FMLADTCRUMFPLW-QPIMQUGISA-N	318.562	1.240	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Nc2cc(OC)ncn2)c1	783065465	ARGMVZDNJVUCMO-UHFFFAOYSA-N	317.305	1.420	50	20	DDGD	
CCO[C@H]1C[C@](O)(CNS(=O)(=O)CCCCl)C1(C)C	882117505	IMGWKNJFSCLXIR-JQWIXIFHSA-N	313.847	1.101	50	20	DDGD	
CCn1cc(Cl)cc1C(=O)NNc1ccnc(N(C)C)n1	895277420	YVSWAPIAUHIWCN-UHFFFAOYSA-N	308.773	1.774	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn(C3CCC3)c2)cc1O	899944266	LLKVRUPOKPMEIP-UHFFFAOYSA-N	314.345	1.697	50	20	DDGD	
CN(NC(=O)C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1	783425790	UYGDGVNKXJJYTP-UHFFFAOYSA-N	313.313	1.521	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@H](C(=O)NNc2ccc3ccccc3n2)C1	787232718	GKSCNCIYCMAAJP-OLZOCXBDSA-N	312.373	1.970	50	20	DDGD	
CO[C@H](C(C)=NNC(=O)C(=O)N1CCCC1)c1ccccc1	782219181	LFXGYBQOVCFMIH-CQSZACIVSA-N	303.362	1.489	50	20	DDGD	
CC(C)(O)CCC(=O)NNC(=O)NCc1ccc(Cl)cc1	787571384	QCBZPPQNAWQISY-UHFFFAOYSA-N	313.785	1.722	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCN2CCC[C@H]2C)c1	897514848	ALYCNKRFADTLNR-LLVKDONJSA-N	310.423	1.485	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cc(-c2ccco2)[nH]n1	781819343	FAHPUXMVQRHUDS-UHFFFAOYSA-N	304.697	1.870	50	20	DDGD	
CSSCCNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O	791100577	RTEIACFCCPAUCR-UWVGGRQHSA-N	316.448	1.289	50	20	DDGD	
C[C@@H]1Cc2cc(/C=C(/C#N)S(=O)(=O)NC3CC3)ccc2O1	899368248	GMSALONXENSKSK-DOQDJBIESA-N	304.371	1.956	50	20	DDGD	
C[C@H](CBr)CN1C[C@H](N2CCOCC2)C[C@H]1C	796373506	BABAXPMNDSEHCS-JHJVBQTASA-N	305.260	1.812	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)c1ccc2c(c1)OCO2	792788680	DCKXAGHLPSLLJN-ZANVPECISA-N	308.334	1.237	50	20	DDGD	
O=C(CNC(=O)c1cc(Cl)ccn1)NNc1cccc(F)c1	1319484812	WLMPLBDLBBLXSW-UHFFFAOYSA-N	322.727	1.747	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1321072894	XSSJPUUVUFMPBX-RNCFNFMXSA-N	308.382	1.111	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1c[nH]c(Br)c1	1321844992	PJRFFBSSXMQZNO-UHFFFAOYSA-N	324.134	1.558	50	20	DDGD	
CS[C@H]1CC[C@@H](N(C)CC(=O)NNC(=O)C(C)(C)C)C1	1324185092	CYUDEQMOXOZCAB-MNOVXSKESA-N	301.456	1.396	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1ccccc1Cl	1321860170	GYUNGCVFRYTHEU-CYBMUJFWSA-N	323.780	1.502	50	20	DDGD	
CCOc1ccc(NNC(=O)CCc2c(C)ncnc2O)cc1	1324399559	GWHWZARAOUKLAD-UHFFFAOYSA-N	316.361	1.965	50	20	DDGD	
CCn1cc(C(=O)NNc2cncc(Br)c2)cn1	1253718176	ICUCREUQJMVASW-UHFFFAOYSA-N	310.155	1.817	50	20	DDGD	
COCCN(C1CCCC1)[C@H](C)C(=O)NNC(=O)CC(C)C	1324166355	DDBYWSSMIZOBDG-CYBMUJFWSA-N	313.442	1.459	50	20	DDGD	
O=S(=O)(NCC1OCCCO1)c1ccc(CCl)cc1	716342836	SAUQRNILJOXWQT-UHFFFAOYSA-N	305.783	1.467	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CN(C)CC(C)(C)C)cc1	1332239233	SIRDCUTXLCRBRL-UHFFFAOYSA-N	307.394	1.434	50	20	DDGD	
Cc1ccc(O)c2c1[C@H](C)CC2=NNC(=O)[C@@H]1CCC(=O)N1	1331723891	ZWAYYBUDYILTER-ZJUUUORDSA-N	301.346	1.307	50	20	DDGD	
CN(C)Cc1c(C(=O)NNc2ccn(C)n2)oc2ccccc12	1256183271	CQRQUIRECKRGFM-UHFFFAOYSA-N	313.361	1.985	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)NCCC(F)F	1345900534	CJKSNAFXYIQEEU-UHFFFAOYSA-N	305.712	1.868	50	20	DDGD	
CN1CC[C@H](C(=O)OC[C@]2(C)C[C@@H]2Br)CC1=O	1526044085	GJYOGDFGWWNWBC-AUTRQRHGSA-N	304.184	1.572	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@@H]2CCCc3n[nH]cc32)ccc1F	1608856802	QUDNDFLFZFXCCW-SECBINFHSA-N	318.308	1.810	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1C(=O)NNc1ccc(C(=O)O)cn1	1600304760	KSLVHXNIAXPKAT-UHFFFAOYSA-N	316.273	1.753	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)c1cc2n(n1)CCCO2	1608480142	BUXGGUQXIFYCIN-UHFFFAOYSA-N	320.280	1.260	50	20	DDGD	
O=C(NN[C@H](C(=O)O)C1CC1)c1cccc(C(F)(F)F)c1	1608479594	ORRYPQSGXROFPM-JTQLQIEISA-N	302.252	1.803	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)[C@]12[C@H]3C(=O)[C@H]4[C@H]5C[C@@H]([C@@H]41)[C@H]2[C@H]53	1608948420	ZCHRRCRKBQITRG-MXYMMYOBSA-N	324.336	1.155	50	20	DDGD	
Cc1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)c(C)nn1	1600139200	WIYCMRSYDLMDTE-UHFFFAOYSA-N	317.257	1.919	50	20	DDGD	
C[C@H](CNC(=O)NNc1cccc(C(=O)O)c1)CN1CCCC1	1609746750	PVGWTSLSIDXHEZ-GFCCVEGCSA-N	320.393	1.743	50	20	DDGD	
O=C(O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)NNc1ccc(F)cn1	1608818749	SMKJECSYCVTXGY-NGERZBJRSA-N	305.309	1.577	50	20	DDGD	
NC[C@@H]1CC[C@@H](NC(=O)NNc2ccc(C(=O)O)cc2F)C1	1601183650	FOLBHRCKWFGRSP-PSASIEDQSA-N	310.329	1.277	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC[C@@](O)(C2(C(=O)O)CCC2)C1	1605615545	HDTKKJZIDRUNMO-TYZQSYOASA-N	322.361	1.039	50	20	DDGD	
Cc1csc(CNC(=O)NNc2cccc(C(=O)O)c2)n1	1607931439	IUZXKVLNRFSVPI-UHFFFAOYSA-N	306.347	1.976	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNc1ccc(C(=O)O)cc1OC	1609899770	LJEPQIXPZHNGLV-TVQRCGJNSA-N	310.350	1.898	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)[C@H]2Cc3ccccc3O2)o1	1608879253	ZDOSWKJZHVOEPJ-CYBMUJFWSA-N	300.270	1.432	50	20	DDGD	
CCn1ccc(CNC(=O)NNc2ccc(C(=O)O)c(F)c2)n1	1605927753	NLKPCLZKCJENIG-UHFFFAOYSA-N	321.312	1.567	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1ccc2[nH]ccc2c1	1606858494	UENLUIJCBZZFBC-UHFFFAOYSA-N	320.316	1.500	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCC[C@@](C)(C(=O)O)C2)cn1	1610600934	CVDCEUCIILUWAX-KXCGHJCSSA-N	302.334	1.040	50	20	DDGD	
O=C(NNC(=O)C12CCC(C(=O)O)(CC1)CC2)c1ccc[nH]1	1610699726	CHKAJROXYCLZGP-UHFFFAOYSA-N	305.334	1.201	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)N[C@@H]1CCCc2c[nH]nc21	1610699924	JNUFUKQPANKHRC-GFCCVEGCSA-N	315.333	1.812	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@@H]1c1nccn1C)C(F)(F)F	1549308263	ALJUUZUQXXIUCF-ZJUUUORDSA-N	318.299	1.942	50	20	DDGD	
CCOCC(C)=NNC(=O)[C@H]1CCCO[C@@H]1c1nccn1C	1549308139	DPZAMYJPRPAPGE-STQMWFEESA-N	308.382	1.416	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C=NNC(=O)[C@@H]1CCCCO1	1552454461	PGKXFJIKZDVEME-VHDGCEQUSA-N	320.393	1.559	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@H]1C=NNC(=O)C1CCOCC1	1552919520	KTSMXRPHHDXPME-KBPBESRZSA-N	320.393	1.416	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@H]2C=NNC(=O)c2cnsn2)cn1	1552919799	LEPGNBOGVHTAHT-JOYOIKCWSA-N	320.378	1.155	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	18988314	ATKAFZCVPWCVJF-BQYQJAHWSA-N	321.249	1.390	50	20	DDGD	
CC[C@@](O)(CC(=O)NNC(=O)CCCCCN)c1ccccc1	1577179254	HTFKMJWGFFVYIN-QGZVFWFLSA-N	321.421	1.341	50	20	DDGD	
C[C@H]1NCCn2c(C(=O)NNC(=O)CC3CCCC3)ccc21	1576894124	HXUICLTWDRPLPU-LLVKDONJSA-N	304.394	1.494	50	20	DDGD	
CC[C@@H]1NCC[C@@H]1C(=O)NNc1ccnc(C(F)(F)F)c1	1577308329	LTESUPVXVLDRIN-UWVGGRQHSA-N	302.300	1.932	50	20	DDGD	
C[C@@](Cl)(CCl)C(=O)N1CC2(CCCN2C(=O)CC#N)C1	1842623222	UTHQBQXGEAPJOI-GFCCVEGCSA-N	318.204	1.340	50	20	DDGD	
CC[C@H](C)[C@H](C)NC(=O)NNc1cccc(-c2nn[nH]n2)c1	1590398516	CEPAPQJHTIWEPU-UWVGGRQHSA-N	303.370	1.927	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@H]1CC[C@@H]2CCCCN21	1595261838	KEWRSDYVMDOULT-CMPLNLGQSA-N	304.350	1.240	50	20	DDGD	
CCOCc1nc(C)cc(NNC(=O)c2ccc(C(=O)O)[nH]2)n1	1596952785	YMNYPGGCADFVAN-UHFFFAOYSA-N	319.321	1.105	50	20	DDGD	
COc1cc(C)ncc1C=NNC(=O)c1cccc(C(=O)O)c1	1776096740	PRUIAQSNAMEVNS-UHFFFAOYSA-N	313.313	1.861	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2cccc(C(=O)O)c2)CCS1(=O)=O	1776096361	XHNWTUXECHHOPI-VIFPVBQESA-N	324.358	1.068	50	20	DDGD	
COc1ccc(C)c(C=NNC(=O)[C@H]2CCO[C@@H]2C)c1C(=O)O	1776082219	DJHDUSXGKVOHEI-MNOVXSKESA-N	320.345	1.577	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])o1	17065365	LXWGGXWRGXEGHP-UHFFFAOYSA-N	319.273	1.336	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(-c3cccs3)n[nH]2)[nH]n1	152320715	PTKWUMWWCQNWAY-UHFFFAOYSA-N	316.346	1.245	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1cc(Cl)ccc1N(C)C	156067393	VMRIZACMOXAFBX-UHFFFAOYSA-N	313.789	1.120	50	20	DDGD	
CC(C)COc1cccc(NC(=O)NNC(=O)CN(C)C)c1	156756212	ZQWPFOBOCNRCNW-UHFFFAOYSA-N	308.382	1.436	50	20	DDGD	
Cc1c(C(=O)N(C)NC(=O)OCc2ccccc2)cnn1C	862284355	BQNCNDHUZMYOLX-UHFFFAOYSA-N	302.334	1.642	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)COc1ccc(F)cc1	6208458	CJZGOCVSHROHLP-UHFFFAOYSA-N	316.332	1.985	50	20	DDGD	
Cc1ncccc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	108148607	QLBLEMCLYFKYDO-UHFFFAOYSA-N	300.274	1.373	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)NNc2ncccn2)C1	54727371	OJWUTDZIJNDVBI-BETUJISGSA-N	320.441	1.859	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccc[nH]2)ccc1OC(C)C	61231715	URYOLOWVDODARQ-UHFFFAOYSA-N	317.345	1.885	50	20	DDGD	
CCCCNC(=O)NNC(=O)CSCc1ccc(C#N)cc1	64425320	WEYKIKQHFWYYRQ-UHFFFAOYSA-N	320.418	1.922	50	20	DDGD	
C#CCCCCC(=O)NNC(=S)Nc1ccc(OC)nc1	179910090	CRYXMLXBSOTWNV-UHFFFAOYSA-N	306.391	1.601	50	20	DDGD	
COCCOc1ccccc1/C=C(\C#N)C(=O)N[C@@H](C)COC	176675559	ZIBQIZVMIKNAEP-LERPTODRSA-N	318.373	1.770	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	69311220	FZTYRXPBHBHZKO-JTQLQIEISA-N	307.306	1.337	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@H](C)C(C)C	171881864	ZWCILVVRAIXISB-GFCCVEGCSA-N	308.378	1.904	50	20	DDGD	
O=C(CCc1nc2ccccc2[nH]1)NNC(=O)c1ccccn1	61171395	VCXQDIPSOYZCIJ-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
Cc1sc(=O)n(CC(=O)NNc2cccc([N+](=O)[O-])c2)c1C	178841520	TUPQHMPLNXRWKQ-UHFFFAOYSA-N	322.346	1.578	50	20	DDGD	
CCCC[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1cnn(C)c1	117964876	GFIXOPZKJUYXIN-DGCLKSJQSA-N	307.398	1.723	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O	178969487	MWYUNHOTZHHDKL-GZZWPOOQSA-N	313.357	1.741	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)c2cnn(C)c2)cc1	117680873	SPCKMVCHGICILT-UHFFFAOYSA-N	316.361	1.674	50	20	DDGD	
C[C@H](CN)N(C)S(=O)(=O)c1ccc(CCCCl)cc1	178956631	PIGKHENMVQHMAN-LLVKDONJSA-N	304.843	1.826	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCCc1nccs1	66925785	NMXHYMVRVSNIAM-UHFFFAOYSA-N	322.365	1.398	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H](C)OCCC(C)C	67430610	IEXNOWZNEJTUAL-LBPRGKRZSA-N	308.378	1.907	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2cn3ccccc3n2)cc1	32063628	IHGGVWHIGJULJI-UHFFFAOYSA-N	324.340	1.347	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CCc1c[nH]cn1	188855228	DVZVJIYYAPYLDZ-JTQLQIEISA-N	320.324	1.096	50	20	DDGD	
O=C(NNC(=O)c1ccccc1-n1ccnn1)c1ccccc1	181324225	REZVXAQPAKWAGA-UHFFFAOYSA-N	307.313	1.342	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1)N(C)C	126332116	MKCABQNPDUFEDB-AWEZNQCLSA-N	315.377	1.178	50	20	DDGD	
Cc1ccccc1NC(=O)C(=O)NNC(=O)c1ccc(C#N)cc1	125742652	XJBSXUSJNIUGJC-UHFFFAOYSA-N	322.324	1.266	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CCCOC(C)C	182378273	HEBFJHOCFDFBND-UHFFFAOYSA-N	308.378	1.590	50	20	DDGD	
O=C(CN1CCC2(CCC2)C1)NNC(=O)c1ccccc1Cl	122832057	PMTBWNQDXBFTKS-UHFFFAOYSA-N	321.808	1.977	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)cn1	180596267	JCTZNZMBPLLIND-UHFFFAOYSA-N	304.325	1.436	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2cccc(C)c2F)n1	181514297	WSOHOXPSCQFFFX-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1cccc(OC(F)F)c1	181404609	NGPXQUMOWGOEMY-UHFFFAOYSA-N	322.271	1.765	50	20	DDGD	
C[C@H](CCNC(=O)NNC(=O)OC(C)(C)C)N1CCCCC1	182689315	IQJJUGWTGSEGOM-GFCCVEGCSA-N	314.430	1.990	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)c2ccccc2)cc1O	183295452	LBGHLNHPBZTNIE-CSKARUKUSA-N	312.325	1.875	50	20	DDGD	
O=C(CSCC(=O)c1ccccc1)NNc1ncccn1	121013460	SVOJSQNAWCKNIO-UHFFFAOYSA-N	302.359	1.536	50	20	DDGD	
CCNC(=O)N1CCN(C(=O)c2cccc(CCl)c2)CC1	41654153	HPQMQGMVWSHYDF-UHFFFAOYSA-N	309.797	1.913	50	20	DDGD	
C[C@H](NC(=O)C(C)(C)C)C(=O)NNc1nnc(C2CC2)s1	184489352	KRXSWEPQQMVCFB-ZETCQYMHSA-N	311.411	1.409	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)c2cccc(N(C)C)c2)no1	134071443	HJINUOWMNGJCRD-UHFFFAOYSA-N	316.361	1.939	50	20	DDGD	
Cc1onc(-c2ccccn2)c1C(=O)NNC(=O)c1ccncc1	130742667	YRDNJKKPWMRAFB-UHFFFAOYSA-N	323.312	1.515	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)c3cnns3)cc2C1	47816904	AOGJVNOPICVSRC-ZETCQYMHSA-N	322.415	1.799	50	20	DDGD	
O=C(NCC1(Cc2ccccc2)CC1)NNC(=O)c1ccc[nH]1	131180522	BYHUSPKJLQRXIV-UHFFFAOYSA-N	312.373	1.982	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)COc1cccc2ccccc12	192917701	DEZHCZMSODVQPQ-UHFFFAOYSA-N	302.330	1.137	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)C[C@@H](C)OC	195430604	ILISUHNLXQBQRY-MRVPVSSYSA-N	300.742	1.535	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNC(=O)c2ccc[nH]2)ccc1F	97029798	AXHRMAOSPHNPJY-UHFFFAOYSA-N	304.281	1.187	50	20	DDGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)C1CCNCC1	237818328	ZXDXIYDXLNBHAI-UHFFFAOYSA-N	321.768	1.833	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)C2CCC2)cc1OC	264699989	GQVMRRACRMCLBV-UHFFFAOYSA-N	307.350	1.334	50	20	DDGD	
Cc1ccc(Cl)cc1S(=O)(=O)NNC(=O)C1CCC1	264766727	OOQXPEHYVSLULI-UHFFFAOYSA-N	302.783	1.758	50	20	DDGD	
CCc1nn(C)cc1NC(=O)C(=O)NNc1ccc(OC)cc1	275584984	COVIEPMBFOQLNA-UHFFFAOYSA-N	317.349	1.073	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(C)CCN(C)C(=O)OC(C)(C)C	271132901	KXCVGXPHORVFKR-VAWYXSNFSA-N	311.382	1.756	50	20	DDGD	
Cc1cccc(NNC(=O)c2cn(C)nc2-c2cnn(C)c2)c1	368733386	PHUCPNDUXMIBHR-UHFFFAOYSA-N	310.361	1.886	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@@H]2CCCCN2C2CC2)nc1	277275592	AEWPYDPKEDYKGT-ZDUSSCGKSA-N	319.409	1.733	50	20	DDGD	
C#CCn1ccc(CN(CC)CCI)n1	279673110	FMUWKNAJPVPCLH-UHFFFAOYSA-N	317.174	1.773	50	20	DDGD	
CCC(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@H](C)CC)c1	274075692	PHFMCRZTNDJQTP-SNVBAGLBSA-N	319.361	1.411	50	20	DDGD	
CSCCCCCNC(=O)NNc1nc2ccccn2n1	276590346	AVKAVHHCOKRGDE-UHFFFAOYSA-N	308.411	1.889	50	20	DDGD	
CC(C)(C)[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1ccc(F)cc1	277111008	WZDBRXUROIQILL-ZFWWWQNUSA-N	322.380	1.967	50	20	DDGD	
C=CCCCNC(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C	279644070	WAEFOSDGULCRIF-SNVBAGLBSA-N	314.386	1.196	50	20	DDGD	
Cc1cc(N2CCC(NC(=O)NNC(=O)C(C)(C)C)CC2)[nH]n1	275735571	BEOKEVDUIPCJFE-UHFFFAOYSA-N	322.413	1.063	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2nc(-c3ccccc3)no2)CCN1	279931382	PKOZYMVBIMEUES-JQWIXIFHSA-N	301.350	1.568	50	20	DDGD	
CCCc1cc(NC(=O)C(=O)NCCSSC)n(C)n1	285275362	OXSOQRNDIGYMPT-UHFFFAOYSA-N	316.452	1.439	50	20	DDGD	
COCCCONC(=O)NNc1ccc2c(O)nccc2c1	288100242	UNJNIIUNUMLLHX-UHFFFAOYSA-N	306.322	1.535	50	20	DDGD	
CC1(C)CC[C@H]1NC(=O)NNC(=O)Cc1cn2ccccc2n1	287560454	YZEOEZDULYVJRJ-GFCCVEGCSA-N	315.377	1.396	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cc(C3CC3)no2)n1	282077313	RBHCVBWTLLSFQO-UHFFFAOYSA-N	316.365	1.945	50	20	DDGD	
C[C@@H](CF)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1c1ccccc1	288193639	BRDZWWGJMVTXHV-WCFLWFBJSA-N	309.341	1.453	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)[C@@H](C)Oc2ccccc2F)nn1	807952757	KZZNVAYIVRLAFO-LLVKDONJSA-N	319.340	1.916	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CN1CCCCCC1=O	299043384	RCRNUPGLSVLMGC-UHFFFAOYSA-N	318.377	1.550	50	20	DDGD	
C[C@@H](OC[C@H]1CCCCO1)C(=O)NNc1ncc(F)cc1F	297025890	SSWXSNUPVWMRNA-MWLCHTKSSA-N	315.320	1.777	50	20	DDGD	
C[C@H](CN1CCCCCC1)C(=O)NN=Cc1ccc(N)nc1	807957920	CJROMFMECUCZFK-CYBMUJFWSA-N	303.410	1.626	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CCc1ccccc1C	807368955	LPNMKSLQDPOFGF-UHFFFAOYSA-N	322.405	1.864	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)C(=O)c1ccc(O)cc1	807094041	TXYOKJUDCRSLHW-UHFFFAOYSA-N	314.326	1.723	50	20	DDGD	
CC1CCN(CCNC(=O)NNc2ncc(F)cc2F)CC1	297421044	MMVGNQRBDUJICG-UHFFFAOYSA-N	313.352	1.718	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)CC(=O)NNC(=O)N=c1cc[nH]cc1	802030610	KRBWZGCJDKAIBX-VIFPVBQESA-N	317.349	1.455	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=O)NCC(F)(F)F)nc1	290413664	FRPZIMAONZJUPS-UHFFFAOYSA-N	304.272	1.711	50	20	DDGD	
CCOc1ccc(OCC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	294163162	IHHXQUKTGFQCKM-FZMZJTMJSA-N	322.361	1.179	50	20	DDGD	
CC(=O)c1ccc(OCCCC(=O)NNC(=O)CC2CC2)cc1	294175070	NXEKZSHBXBHWSC-UHFFFAOYSA-N	318.373	1.996	50	20	DDGD	
O=C(CN1C(=O)CCc2ccccc21)NCC(Cl)Cl	297236544	YWOOGNRSWQBMFG-UHFFFAOYSA-N	301.173	1.886	50	20	DDGD	
CCOC(=O)CCCNC(=O)NNc1ncc(F)cc1F	297073146	LQAGNKGQDJDEEI-UHFFFAOYSA-N	302.281	1.329	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@H]1CCCCO1)c1ccc(F)cc1	295657259	VPMITFYKWCOGBP-ZDUSSCGKSA-N	308.353	1.820	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(SC)s1	814865777	YPJKWOOJCTTXIT-SECBINFHSA-N	302.421	1.972	50	20	DDGD	
Cc1ccc([C@](O)(CC(=O)NNC(=O)C(C)C)C(F)(F)F)o1	818653435	XTTRAYPASFOIFN-GFCCVEGCSA-N	322.283	1.531	50	20	DDGD	
CC(Cn1cccn1)=NNC(=O)Cn1c(C)nc2ccccc21	814729835	FMRSRIUPMCHXHY-UHFFFAOYSA-N	310.361	1.734	50	20	DDGD	
O=C(NNC(=O)c1c(F)ccnc1F)c1cccc([N+](=O)[O-])c1	816809473	YRIGGBAOZGXRFH-UHFFFAOYSA-N	322.227	1.343	50	20	DDGD	
COCCC(COC)=NNC(=O)CCc1ccc(OC)cc1	812227054	PCGARXBAWNXKPQ-UHFFFAOYSA-N	308.378	1.783	50	20	DDGD	
Cc1ncc2n1CC[C@H](C(=O)NNc1cnnc3ccccc13)C2	810404287	LULICRHTOXXWFX-LBPRGKRZSA-N	322.372	1.840	50	20	DDGD	
CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)NNc3ccccc3)[C@H]2C1	812433032	IJLCHPNOLXJIOJ-BPUTZDHNSA-N	316.405	1.960	50	20	DDGD	
Cc1ccc(N2CCC(C(=O)NNC(=O)CC3CC3)CC2)nc1	819104346	JJRYTOQSZVQPHB-UHFFFAOYSA-N	316.405	1.554	50	20	DDGD	
O=C(CCN1CCOCC1)NNc1cc(Cl)nc(Cl)c1	819743260	MJXGXAXGRIWSOR-UHFFFAOYSA-N	319.192	1.554	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)C(C)(C)c1ccccc1)n1cccn1	819259320	GTZSOPZPYRVUIV-ZDUSSCGKSA-N	314.389	1.959	50	20	DDGD	
C[C@H]1CCCC[C@@H]1OCCNC(=O)NNc1ncncc1F	814283271	DDJBZRQETQZHOR-JQWIXIFHSA-N	311.361	1.837	50	20	DDGD	
CCCC(=O)N1CSC[C@@H]1C(=O)NNC(=O)CC(C)(C)C	728606798	QAPPUXXLVBKJFZ-SNVBAGLBSA-N	315.439	1.272	50	20	DDGD	
CCn1c(NNC(=O)[C@@]2(C)CC2(F)F)nc2ccccc2c1=O	817517574	AJFCZKKRNZQORM-CQSZACIVSA-N	322.315	1.905	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=Cc1cn(C)nc1O	814213262	FHIQHYMWOZHBAW-UHFFFAOYSA-N	302.334	1.217	50	20	DDGD	
COC(=O)C(C)(C)CC=NNC(=O)COc1ccc(OC)cc1	814720293	MWNMBAMVLZGZMJ-UHFFFAOYSA-N	322.361	1.765	50	20	DDGD	
C[C@H]1CCCC[C@@H]1C(=O)NNC(=O)Cc1cn2ccccc2n1	819345901	PVKITOQCRBVSMF-JSGCOSHPSA-N	314.389	1.851	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1Cc2cccc(F)c2C1	827258889	FPWVQDFYMFUIDF-ONGXEEELSA-N	307.325	1.307	50	20	DDGD	
CCn1nc(C)c(CNC(=O)NNC(=O)C2CCCC2)c1C	727605323	XEIKNFUROAYPIA-UHFFFAOYSA-N	307.398	1.540	50	20	DDGD	
CS[C@@H](C)CCC(=O)NNc1ccc(-c2nn[nH]n2)cc1	826226370	YHDZAYKBWVVGFH-VIFPVBQESA-N	306.395	1.842	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccccc2)CCOCC1)C1CCC1	823246879	FSEAJGSFGWCOPT-UHFFFAOYSA-N	316.401	1.973	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCc2ccc(Cl)cc2C1	828564701	VHIPQPVTUJARFZ-UHFFFAOYSA-N	309.797	1.502	50	20	DDGD	
C=C(C)C(C)(C)C(=O)OCC(=O)NNC(=O)c1ccccc1	821439582	JTHQGLHMWBGEMH-UHFFFAOYSA-N	304.346	1.593	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1ccc2c(=O)[nH]ccc2c1	824695346	XKOUWPUMPOILDB-UHFFFAOYSA-N	314.345	1.871	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)N[C@@H]1C[C@H]1C1CCC1	822892667	YIIAGOAUTMTAJS-LSDHHAIUSA-N	317.389	1.975	50	20	DDGD	
CO[C@@H](C)C(=O)Nc1cccc(NC(=O)NN(C)C2CC2)c1	824139817	XOTBGOURLANNSM-JTQLQIEISA-N	306.366	1.791	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2nc(O)c3ccccc3n2)cc1	821544307	NBICADDUYTTZGL-UHFFFAOYSA-N	324.296	1.791	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC=CCC1	822192612	UDTXZSMFPCAWHJ-RHSMWYFYSA-N	316.357	1.720	50	20	DDGD	
COc1ccccc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	826218461	CMVASMTYOLFLHO-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
Cc1cccc(NNC(=O)Cc2cccc(-c3nn[nH]n3)c2)c1	822329062	XKQXKAAYMUAHMN-UHFFFAOYSA-N	308.345	1.861	50	20	DDGD	
C[C@@H](CNCc1ccc(B(O)O)o1)Oc1ccc(Cl)cc1	585026590	IDJKAXSLESKGQT-JTQLQIEISA-N	309.558	1.170	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1	828958694	BWSHJKYVEHEOCA-LBPRGKRZSA-N	306.410	1.207	50	20	DDGD	
N#CCCN1CCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)CC1	827483622	PDBFLUZIGCOIOW-NTCAYCPXSA-N	310.357	1.357	50	20	DDGD	
O=C(NN=Cc1ccncc1)C1CCN(c2ncccn2)CC1	728783142	AJLUFSWMBJQDLO-UHFFFAOYSA-N	310.361	1.238	50	20	DDGD	
O=C(c1ccc(Oc2ccccc2)o1)N1CC[C@@H](B(O)O)C1	585066156	LQYFPWBKCYVXPB-LLVKDONJSA-N	301.107	1.761	50	20	DDGD	
O=C(/C=C/c1ccc2c(c1)OCO2)NNC(=O)C1CCCC1	491094274	WSSVWQTWWPQIRB-SOFGYWHQSA-N	302.330	1.766	50	20	DDGD	
O=C(CC[C@@H]1CC1(Cl)Cl)NNC(=O)N1CCOCC1	824620875	CRSKTZCZZPJNMS-MRVPVSSYSA-N	310.181	1.033	50	20	DDGD	
CCN(CCO)NC(=O)c1ccnc(-c2ccc(Cl)cc2)n1	823885113	WTDFLOCKLKCBRC-UHFFFAOYSA-N	320.780	1.756	50	20	DDGD	
Cc1ccccc1[C@@H]([C@H](C)NCc1ccc(B(O)O)o1)N(C)C	585036191	CCCBDCDWBOJDCR-SUMWQHHRSA-N	316.210	1.049	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@H](CO)C2CCCCC2)cn1	491134255	RFWFYZNWECBJKZ-XIEDVDOYSA-N	302.378	1.384	50	20	DDGD	
Cc1ccccc1C[C@@H](CO)NC(=O)/C(C#N)=C\c1cnn(C)c1	491135152	SLSKEVSAVUDILB-UGIZUQJLSA-N	324.384	1.355	50	20	DDGD	
CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(B(O)O)c(F)c1	584955904	RNNCVEAXLODYTL-NHYWBVRUSA-N	307.174	1.546	50	20	DDGD	
COc1cccc(C[C@@H](NCc2ccc(B(O)O)o2)C2CC2)c1	585032116	PTUXUKTYXCDSHJ-MRXNPFEDSA-N	315.178	1.079	50	20	DDGD	
COC(=O)N(C)NC(=O)C1(Cc2ccccc2)CCOCC1	496124167	PSICJTRWYJCSPV-UHFFFAOYSA-N	306.362	1.755	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CC2(F)F)cc1OC	822188618	IBLJXLWJUIAVGP-MRVPVSSYSA-N	300.261	1.120	50	20	DDGD	
CC(C)Cn1ncc(C(=O)N2CC[C@H](B(O)O)C2)c1C1CC1	585064448	QGTXCROKPCFVOG-LBPRGKRZSA-N	305.187	1.105	50	20	DDGD	
C=CCNC(=S)NNC(=O)C[C@H](C)C(=O)c1ccccc1	732838377	FZLPCDPYDWQIJT-NSHDSACASA-N	305.403	1.577	50	20	DDGD	
CCc1nocc1C=NNC(=O)CCCNC(=O)OC(C)(C)C	495717585	ATWCDJXZLSJLHM-UHFFFAOYSA-N	324.381	1.992	50	20	DDGD	
CCSc1ccccc1CC(=O)NNC(=O)C(=O)NC(C)C	905361658	JBHYCVZVELOKPM-UHFFFAOYSA-N	323.418	1.013	50	20	DDGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NOCCO)c1C	490690900	DUBJWYCWHCVRCD-IYVNWDGISA-N	321.377	1.259	50	20	DDGD	
CC(C)(C)OC(=O)NC1(C(=O)NNc2ccncn2)CCCC1	834034768	NECJTICEHWBELP-UHFFFAOYSA-N	321.381	1.757	50	20	DDGD	
CCC[C@H](C)C(=O)NCCNC(=O)[C@@]1(C)C[C@@H]1Br	908381497	NTCKILMDJFTNIQ-KWBADKCTSA-N	319.243	1.829	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(-c2ccccn2)no1	833246345	IBBMNXMBPNHYEV-LBPRGKRZSA-N	316.317	1.067	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1ccc(F)c(O)c1	901153233	GCXRDJKGAGYABD-LLVKDONJSA-N	323.368	1.340	50	20	DDGD	
CCC(=O)c1cccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	831571062	OLRXHQIFOYBOJN-MFKMUULPSA-N	319.361	1.857	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNC(=O)c1ccc(C#N)cc1	838775813	LRMHEDYHUBSYTP-OLZOCXBDSA-N	302.334	1.070	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]1c1c(F)cccc1F)c1ccccn1	734807390	NHHHBRIIHCOACI-ZJUUUORDSA-N	317.295	1.925	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1[C@H]2CCC[C@H]1CC(F)(F)C2	585004572	GZNAXHPRIFMVBC-STQMWFEESA-N	309.121	1.159	50	20	DDGD	
CCNC(=O)C1(CNC(=O)[C@]2(C)C[C@H]2Br)CCC1	907721799	OSVSVKLESFHGDY-BXKDBHETSA-N	317.227	1.583	50	20	DDGD	
C=C(CC)CNC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836653400	KNEWEFKDRRYCFG-UHFFFAOYSA-N	306.322	1.717	50	20	DDGD	
C[C@@H](OCCCNCc1ccccc1B(O)O)c1ccccc1	585015174	RCUGVFMPWQMVBR-OAHLLOKOSA-N	313.206	1.624	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1ccnn1CC1CCC1	901195690	HAOMZNAEMTUKBQ-UHFFFAOYSA-N	300.366	1.571	50	20	DDGD	
Cc1oc(-c2ccccc2F)nc1C(=O)NNC(=O)C1CC1	737766729	MVKLKKSLBUIIJS-UHFFFAOYSA-N	303.293	1.960	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)ccnc1Cl	831823364	XYDPDLBDZYMLSH-IUCAKERBSA-N	312.757	1.621	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCC[C@@H](C(C)(C)O)C2)cn1	832453287	JDHOGVIUXVSXSS-WTWVRAIASA-N	302.378	1.337	50	20	DDGD	
C[C@@]1(C(=O)NCC(=O)NC2CCCCC2)C[C@H]1Br	906453526	ZMHDKHQTVGFERL-ZWNOBZJWSA-N	317.227	1.725	50	20	DDGD	
COC(=O)C[C@@H]1CCCN1C(=O)[C@]1(C)C[C@@H]1Br	907081625	GTKPRJIEPAEQNY-HOTUBEGUSA-N	304.184	1.714	50	20	DDGD	
O=C(NN=Cc1ccc2ccccc2c1)[C@H]1CCS(=O)(=O)C1	730575766	HQEWKNSVKQNEFT-HNNXBMFYSA-N	316.382	1.725	50	20	DDGD	
CCCCNC(=O)NNC(=O)CN(CC)C(=O)OC(C)(C)C	734427545	PGOCZZBZHWDFPJ-UHFFFAOYSA-N	316.402	1.374	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNc1ccccc1S(C)(=O)=O	732303991	PFRWVNXEWBVOCR-NSHDSACASA-N	312.391	1.514	50	20	DDGD	
COc1ccc2nc(NNC(=O)[C@H]3C[C@H]3C(=O)O)c(C)cc2c1	833735412	ZWCJCZKVACPBLX-NWDGAFQWSA-N	315.329	1.716	50	20	DDGD	
O=C(NN=Cc1cc(Br)c[nH]1)[C@@H]1CCCCO1	834987022	YUQUXKWVWUXIDB-JTQLQIEISA-N	300.156	1.796	50	20	DDGD	
C[C@@H](C(=O)NNc1nc(-c2cccnc2)no1)C(F)(F)F	742658327	OXUIUAYUVVYSBM-LURJTMIESA-N	301.228	1.773	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1c1ccccc1)[C@@H]1CCCCO1	833235621	HXGNZXNISGDMLY-GJZGRUSLSA-N	317.389	1.372	50	20	DDGD	
CCOC(=O)[C@H](CC(=O)NNc1c(C)cccc1F)C(C)=O	832356879	LGBRNPIFFNYAJF-LLVKDONJSA-N	310.325	1.736	50	20	DDGD	
O=C(CNc1ccccc1)NN=Cc1ccc(O)c([N+](=O)[O-])c1	915919128	XDPXVUUBCHKZEH-UHFFFAOYSA-N	314.301	1.863	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)CCCN1C(=O)CCC1=O	748549307	JOIIQYQPSASDLN-UHFFFAOYSA-N	307.325	1.506	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H](CN)C2CCCC2)c1	841986452	NLERUKUXAPEDON-CQSZACIVSA-N	320.393	1.617	50	20	DDGD	
CCn1ccc(C(=O)NNc2ccc(CC(=O)OC)cc2)n1	846377458	VDLAADIEFQZBTI-UHFFFAOYSA-N	302.334	1.375	50	20	DDGD	
Cc1cccc(CN(C)CC(=O)NNC(=O)c2cccs2)c1	917842582	XILWIXXNQMRGIF-UHFFFAOYSA-N	317.414	1.950	50	20	DDGD	
CCN(CC)C(=O)CNC(=O)NNc1ccc(Cl)c(F)c1	746758194	TXKWEMXWCRUGCC-UHFFFAOYSA-N	316.764	1.974	50	20	DDGD	
Cc1nc(Cl)sc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843652106	HVCISJUJTYDYAN-BQBZGAKWSA-N	303.771	1.291	50	20	DDGD	
O=C(NN=C1CCCc2cc(F)ccc21)[C@@H]1CCS(=O)(=O)C1	747629216	FZMNCBMNVLOZFO-LLVKDONJSA-N	324.377	1.417	50	20	DDGD	
Cc1nc2scc(C)n2c1C=NNC(=O)CN1CCCC1=O	916357732	HSOCPXFYJDDTAV-UHFFFAOYSA-N	319.390	1.085	50	20	DDGD	
O=C(NNc1ncncc1F)[C@@H]1CCO[C@H]1c1ccncc1	846215932	OIIGHDUORMDIIF-PWSUYJOCSA-N	303.297	1.232	50	20	DDGD	
Cc1cc(C=NNC(=O)Nc2ccc(N(C)C)cc2)nn1C	841626215	OYQCAEWFCMOPTB-UHFFFAOYSA-N	300.366	1.950	50	20	DDGD	
C[C@H](Cc1ccsc1)NC(=O)NNC(=O)CC(F)(F)F	919658195	GBNSXNJIVZOPJA-SSDOTTSWSA-N	309.313	1.962	50	20	DDGD	
CCN1CCC(=NNC(=O)COc2ccc(C#N)cc2)[C@@H](C)C1	741457476	MIKBBTJQIZHZIZ-ZDUSSCGKSA-N	314.389	1.771	50	20	DDGD	
Cc1nc(C=NNC(=O)[C@H]2COc3ccccc3O2)cs1	916291694	CXPXZSBYGIXCHV-CYBMUJFWSA-N	303.343	1.742	50	20	DDGD	
COCCCOc1cccc(C=NNC(=O)c2ncccn2)c1	841663532	VEZWWXIASBIVEL-UHFFFAOYSA-N	314.345	1.656	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1cc([N+](=O)[O-])ccc1N	842549287	JBCLIYSKFGRFKN-ONGXEEELSA-N	306.322	1.442	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2n[nH]c3c2CCC3)c1	918687327	NHYDPPHZBZOPPT-UHFFFAOYSA-N	315.402	1.838	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccnn1C1CCCC1	843655720	WGBHSLDBZZMRBM-JQWIXIFHSA-N	306.366	1.184	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1c(C)nc2scc(C)n12	748258962	RGJIDZYGTYCBFT-LLVKDONJSA-N	324.406	1.514	50	20	DDGD	
Cc1n[nH]c(C)c1C=NNC(=O)[C@@H]1COc2ccccc2O1	915941663	VFMLNDMEYFQTIR-AWEZNQCLSA-N	300.318	1.317	50	20	DDGD	
O=C(Cn1cncn1)NNc1ccc(Br)cc1F	748199528	NNYSOJFUTUXKKS-UHFFFAOYSA-N	314.118	1.323	50	20	DDGD	
COC/C(C)=C/C(=O)NNc1ccnc(Br)c1	845951311	TUSZOWKSERJJPH-VMPITWQZSA-N	300.156	1.880	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1ccc(NC2CC2)nc1	749942763	KCSGMCBHLJTDON-UHFFFAOYSA-N	302.378	1.997	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCCC(=O)OC(C)(C)C	745932400	ZKKISDPUXUPNIX-UHFFFAOYSA-N	301.387	1.485	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H](CC(C)C)OC)cc1	846376869	IMVXQMDHBHNMLM-CQSZACIVSA-N	308.378	1.906	50	20	DDGD	
COc1cc(C(C)=NNC(=O)C2CC2)ccc1S(C)(=O)=O	747041999	JZJZBMIXNCSEIE-UHFFFAOYSA-N	310.375	1.349	50	20	DDGD	
C[C@H]1OC(=O)N[C@H]1C(=O)NNc1ccccc1Br	841410041	ZZIMYUKGCMWZST-HZGVNTEJSA-N	314.139	1.389	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCCc1ccc(O)c(F)c1	843970264	CSMIGOLKXNNJBF-PWSUYJOCSA-N	324.352	1.426	50	20	DDGD	
CCC/C(C)=C/C(=O)OCC(=O)NNC(=O)c1ccccc1	920694599	YNCVSCODTOKHDL-ZRDIBKRKSA-N	304.346	1.737	50	20	DDGD	
COCC1(CC(=O)NNC(=O)COc2ccc(C)c(C)c2)CC1	843753087	JRIMPTWQWZIDNR-UHFFFAOYSA-N	320.389	1.646	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](C)C(C)(C)CN(C)C	754356903	ZTESWQZJISBVDI-CYBMUJFWSA-N	320.437	1.915	50	20	DDGD	
CCOC(=O)NCCCC(=O)NC[C@]1(C)C[C@@H]1Br	857393779	MYSQKOCWNGAJJN-CABZTGNLSA-N	321.215	1.802	50	20	DDGD	
CC(C)(CCNC(=O)NC[C@]1(C)C[C@H]1Br)C(=O)O	857101150	QZBSRNIMVSLGMT-PELKAZGASA-N	321.215	1.960	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@H](OC)C2CCCC2)nc1	852656102	HAEKDQISZOHLIO-ZDUSSCGKSA-N	308.382	1.922	50	20	DDGD	
O=C(CN1CCCCCCC1=O)NNc1ccnc(Cl)c1	855469032	QNNIVXGTRAVJNQ-UHFFFAOYSA-N	310.785	1.971	50	20	DDGD	
CN(CCN(C)C1CC1)C(=O)NC[C@]1(C)C[C@H]1Br	856951754	BYWCCKJIWQKZAF-YPMHNXCESA-N	318.259	1.896	50	20	DDGD	
Cc1nnc2ccc(C(=O)NC[C@]3(C)C[C@H]3Br)cn12	857393463	GQGFYQZBYZXOPK-MFKMUULPSA-N	323.194	1.941	50	20	DDGD	
C[C@]1(CNC(=O)C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1Br	857402283	JDTNUPXEKQUEOS-ATZCPNFKSA-N	324.240	1.101	50	20	DDGD	
CCC(=NNC(=O)Cn1cnc2ccccc21)c1nccn1C	755524448	JJMSSZSSKJWDQF-UHFFFAOYSA-N	310.361	1.700	50	20	DDGD	
CC[C@@H](C)[C@H](C)NCC(=O)NNC(=O)c1cccc(C#N)c1	754171965	XXCRVTGWMKGACY-NEPJUHHUSA-N	302.378	1.343	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCOCCN2)cc1	854692023	GMIDPQSAUDOLTK-KAMYIIQDSA-N	301.346	1.356	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2c(C3CC3)cnn2C)nn1	852578153	URPWWRXPTINUIE-UHFFFAOYSA-N	301.354	1.222	50	20	DDGD	
CCn1nc(C)c(CNC(=O)NNc2cc(F)ccc2F)n1	922954863	RBPWEUDDGYJSKC-UHFFFAOYSA-N	310.308	1.711	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(OCCCOC)cc1	854924027	CDVNNEZVMCIKPO-UHFFFAOYSA-N	311.407	1.183	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)C(C)C)CCOCC1	920032013	KSAABROCDKCDMN-UHFFFAOYSA-N	304.390	1.847	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	858781300	BUWCONIJTCZGFQ-SOUVJXGZSA-N	311.341	1.696	50	20	DDGD	
C[C@]1(CNC(=O)c2ccc3nncn3c2)C[C@H]1Br	857399928	GWMUBVULULIZSL-BXKDBHETSA-N	309.167	1.633	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CCc2ccccc2O)sn1	756856028	IZWHTRIZOXRZQS-UHFFFAOYSA-N	320.374	1.943	50	20	DDGD	
CCC[C@H]1C[C@H](C(=O)NNC(=O)OCC(F)(F)F)CCO1	856023135	ZVLLEQAGIZNGAE-BDAKNGLRSA-N	312.288	1.901	50	20	DDGD	
Cn1nnc2c1C[C@H](C(=O)NNc1ccnc(Cl)c1)CC2	855466860	ZHALYEOQNFMROL-MRVPVSSYSA-N	306.757	1.112	50	20	DDGD	
CC1(C)CCC[C@H]1NCC(=O)NNC(=O)c1cccc(C#N)c1	755055267	KNFCZLBJUPQYMG-CQSZACIVSA-N	314.389	1.488	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2ccsc2Cl)CC1	854379143	PICZRAULYATVFV-UHFFFAOYSA-N	302.787	1.003	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)c1cc(O)nc(C2CC2)n1	857357878	HERDHMCDMARRGB-UHFFFAOYSA-N	306.713	1.260	50	20	DDGD	
CCNc1nc(C)c(C(=O)NNC(=O)Cc2ccncc2)s1	759264328	AENAYSQYTRJPFF-UHFFFAOYSA-N	319.390	1.282	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)CC(C1CCC1)C1CCC1	859251700	CBJZJHQKESTNKW-UHFFFAOYSA-N	304.394	1.706	50	20	DDGD	
C[C@H](CCC1CCCCC1)NC(=O)NNC(=O)[C@H]1CCC(=O)N1	858225473	GJXFMGYZEDZKMJ-DGCLKSJQSA-N	324.425	1.344	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCCCc1ccco1	852060829	YDDJAYXVMGEUAJ-UHFFFAOYSA-N	302.334	1.180	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)Nc1ccc(-c2ccc[nH]2)cc1	757892002	NOZPKJCUHJFDIL-UHFFFAOYSA-N	324.344	1.800	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1cccc([N+](=O)[O-])c1C	756834769	OIMWXNJHHODQBN-UHFFFAOYSA-N	308.338	1.963	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2ccnnc2C)cc1	753008770	HBRXFMUHAMTMCI-UHFFFAOYSA-N	316.386	1.647	50	20	DDGD	
CCCn1cc(C(=O)NNCC(F)(F)C(F)(F)F)cn1	863100622	UIZPPKPLAMKJRK-UHFFFAOYSA-N	300.231	1.725	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)c1cncc(N2CCCC2)n1	867252872	XYMTWKJJIUTLJV-UHFFFAOYSA-N	318.768	1.882	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2cccc(Cl)c2Cl)N1	863146948	YKCLNFFZXQILNL-VIFPVBQESA-N	300.145	1.722	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCCC(C)(C)[C@@H]1C#N	769893945	RNIQVVRVFSNSOQ-OLZOCXBDSA-N	308.426	1.583	50	20	DDGD	
Cc1cccc(CO[C@@H](C)C(=O)NNC(=O)c2c[nH]nc2C)c1	865567720	BDZPJBRFCZCKCE-LBPRGKRZSA-N	316.361	1.393	50	20	DDGD	
O=C(CCN1C(=O)CCC1=O)NNc1ccc(F)c(Cl)c1	863079141	TWOCVOLNLKZLES-UHFFFAOYSA-N	313.716	1.461	50	20	DDGD	
COC(=O)[C@@H]1CCN(S(=O)(=O)CC(C)(C)CCl)[C@@H]1C	867168063	ZWROODYZEDGKLO-NXEZZACHSA-N	311.831	1.465	50	20	DDGD	
CCOC(=O)Nc1ccc(C(=O)NNc2ncc(F)cn2)cc1	760911756	QBAZFRARVBOTON-UHFFFAOYSA-N	319.296	1.941	50	20	DDGD	
Cc1nnc(C(=O)NNc2ccnc(Br)c2)s1	769956116	MWEOKWJQWXHKGM-UHFFFAOYSA-N	314.168	1.761	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1ccc(O)cc1O	863098022	XXXBIYJYWRNAAP-UHFFFAOYSA-N	300.183	1.530	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)c2cc3c(s2)CCC3)c1C	864482605	CUHGCISSUJRZGE-UHFFFAOYSA-N	318.402	1.836	50	20	DDGD	
C[C@@](NC(=O)NNC(=O)c1cn[nH]c1)(C1CC1)C(F)(F)F	933562876	GJBAWVBLKBKICA-SNVBAGLBSA-N	305.260	1.085	50	20	DDGD	
COC(=O)c1ccc(CC(=O)NN[C@@H](C)C(F)(F)F)cc1	862321618	YXVNTKPCIRMKTC-QMMMGPOBSA-N	304.268	1.587	50	20	DDGD	
O=C(Cc1cc(F)c(F)cc1F)NNC(=O)CC(F)(F)F	767890459	HGKGEKILFGSJGP-UHFFFAOYSA-N	314.185	1.746	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC[C@H](N2CCCC2=O)C1	867182605	WCZUDNKFVFAWOV-NSHDSACASA-N	322.858	1.278	50	20	DDGD	
CCC1(Cn2cc(C(=O)NNc3cccc(C)n3)nn2)COC1	862519367	CRDVGMBFHDDZJC-UHFFFAOYSA-N	316.365	1.165	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)CN2CCCC2=O)[C@H](C)C1	761254224	NKOQSPUVIBKYTB-NEPJUHHUSA-N	323.393	1.080	50	20	DDGD	
O=C(NNC(=O)[C@H]1SCCc2sccc21)c1cn[nH]c1	862472869	VNQLHLVDAPRBBQ-JTQLQIEISA-N	308.388	1.263	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H]2CC(=O)NNC(=O)C(C)(C)C	760368031	MFBFOBDMWUBBMO-JTQLQIEISA-N	306.362	1.755	50	20	DDGD	
C[C@H](c1ccccc1F)[C@@H](O)C(=O)NNC(=O)CC(F)(F)F	869020176	HXGUDGLAIDYWSK-RDDDGLTNSA-N	322.258	1.390	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@H](C)n2cccc2)cc1	1118272309	TWUSZEYHOSKSEM-LBPRGKRZSA-N	301.346	1.908	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)Cn2nccc2C)c(C)c1	863854852	CWQHSHZLONTPTB-UHFFFAOYSA-N	315.377	1.068	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CCCCN1Cc1ccncc1	1117184350	SZHOBIKHTIUWKN-ZDUSSCGKSA-N	306.366	1.166	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2n[nH]c3c2CCCC3)cn1	1116727635	BMZZRLTVCDSDON-UHFFFAOYSA-N	314.349	1.458	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)c1ccc[nH]1	760355992	ATHQHVKPWYLZNC-SNVBAGLBSA-N	304.325	1.788	50	20	DDGD	
CC[C@@H]1C[C@@H](C)CCC1=NNC(=O)Cc1cc(O)nc(O)n1	769583587	DJEHMMHVAWTIJV-VHSXEESVSA-N	306.366	1.749	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H](O)C(C)(C)C)c1	764589279	XUSMBHYTSDBKGZ-AWEZNQCLSA-N	308.378	1.237	50	20	DDGD	
COc1ccccc1C(C)(C)C(=O)NNC(=S)NC(C)C	1115915013	VOAQUMHRDSJUTN-UHFFFAOYSA-N	309.435	1.877	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@H]2CCCN(C(C)C)C2)cc[nH]1	875238534	NRKPWOHHBIVGRG-CQSZACIVSA-N	305.426	1.558	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1ccc(C(=O)O)c(F)c1	776763973	IYXYGDUOFTZKDD-UHFFFAOYSA-N	302.265	1.468	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(N2CCNC2=O)ccc1C	879399379	YKUWCWQSRVXXJH-UHFFFAOYSA-N	321.381	1.139	50	20	DDGD	
Cc1cc(N2C[C@H](C(=O)NNC(=O)C3CC3)CC2=O)ccc1F	779866615	JUMJZLWKYGAXNP-LLVKDONJSA-N	319.336	1.044	50	20	DDGD	
CC(C)(C)c1[nH]cnc1C(=O)NNC(=S)Nc1ccccn1	874957093	AJMMOFPTSBPFKS-UHFFFAOYSA-N	318.406	1.734	50	20	DDGD	
CCCc1cccc(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1	774373922	BXOPUYCEVILNDD-CQSZACIVSA-N	323.418	1.459	50	20	DDGD	
CN1CCCC[C@H](C(=O)NN=c2cc[nH]c3ccccc23)C1=O	878766323	WTSINCMLRNFANG-CYBMUJFWSA-N	312.373	1.358	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)c2cc(Cl)ccc2O)CCO1	776455928	RNWZSXCCWPILRL-DTWKUNHWSA-N	312.753	1.622	50	20	DDGD	
COC(=O)c1cc(Cl)cc(NC(=O)NN(C)C(=O)OC)c1	878768156	STPUDYYSUMWMGN-UHFFFAOYSA-N	315.713	1.861	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@@H](C)c1cc(F)ccc1OC	775141822	BQCQQNQXWYIJSU-VHSXEESVSA-N	311.357	1.431	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CC[C@]1(C)CCC(=O)N1	770469384	IVBGHPYJQLZPSA-INIZCTEOSA-N	303.362	1.205	50	20	DDGD	
N#C/C(=C\c1ccccc1-n1cncn1)C(=O)N=c1cc[nH]cc1	774555241	NUONGXOCVNLUGO-NTEUORMPSA-N	316.324	1.630	50	20	DDGD	
CC1=NO[C@H](CNC(=O)NC[C@@]2(C)C[C@@H]2Br)C1	875956787	NXFPAWAWHIHYNB-ATZCPNFKSA-N	304.188	1.624	50	20	DDGD	
CC(C)(CCCO)CNC(=O)NNC(=O)c1cccc(C#N)c1	772621346	ZMNKOKVEQNDECG-UHFFFAOYSA-N	318.377	1.301	50	20	DDGD	
O=C(NN=Cc1cscc1Cl)[C@H]1CCS(=O)(=O)C1	771877723	XCHXCSBENCJFIY-ZETCQYMHSA-N	306.796	1.286	50	20	DDGD	
COC(=O)[C@@H](C)n1cccc1C=NNC(=O)c1c[nH]nc1C	774589302	ZQAHCIMHEYFURU-SNVBAGLBSA-N	303.322	1.018	50	20	DDGD	
C[C@@H](CBr)COC(=O)[C@]12CCC(=O)N1CCS2	770323664	OBDNRGXGMIRMHE-GZMMTYOYSA-N	322.224	1.626	50	20	DDGD	
O=C(NCc1ccc2c(c1)COC2)NNc1cncc(Cl)n1	770414576	ICDAFAAHFCVRJS-UHFFFAOYSA-N	319.752	1.987	50	20	DDGD	
C[C@@H](c1ccccc1)N1CCN(S(=O)(=O)CCl)CC1	882615573	VJHNRKXPPCIPPS-LBPRGKRZSA-N	302.827	1.891	50	20	DDGD	
CSC1(CNC(=O)NNC(=O)c2ncccn2)CCCCC1	884421319	RJXYKFGDBWLKRT-UHFFFAOYSA-N	323.422	1.487	50	20	DDGD	
CC[C@@H](C)n1nc(C(=O)NNC(=O)c2cccnc2)cc1C	778220940	MXKJSHSIAQAIGZ-SNVBAGLBSA-N	301.350	1.632	50	20	DDGD	
Cn1cc(C[C@H]2CCN(S(=O)(=O)CCCCl)C2)cn1	881961100	ZSSHWQUVGPJYOV-LLVKDONJSA-N	305.831	1.243	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)c2ccccc2)nc1	775089297	JBBCYIFEHVBNPJ-UHFFFAOYSA-N	300.318	1.234	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1ccnc(O[C@@H](C)CC)c1	777759508	PSCHBXSPPXTEPX-NSHDSACASA-N	324.381	1.126	50	20	DDGD	
O=C(Cc1coc2cc(F)ccc12)NNC(=O)C1CCOCC1	883064788	ODUROFOAAHNQPU-UHFFFAOYSA-N	320.320	1.688	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)c1ccn(CC(F)F)n1	789867086	JHHXXFXYAYRLPQ-UHFFFAOYSA-N	312.251	1.362	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)cc1	786687360	KSRJESLYNGIINH-UONOGXRCSA-N	317.389	1.302	50	20	DDGD	
Cc1ncc(CCNC(=O)NNc2ncncc2Cl)s1	781012319	SSKKFTGMCPYRFQ-UHFFFAOYSA-N	312.786	1.764	50	20	DDGD	
O=C1CCN(S(=O)(=O)CCCCl)c2ccc(F)cc2N1	881951107	UIQGUTDABRRCII-UHFFFAOYSA-N	320.773	1.933	50	20	DDGD	
C[C@@H](SCc1ccccc1)C(=O)NNC(=O)C1CCOCC1	883062172	SNYFKUBYIOGXLL-GFCCVEGCSA-N	322.430	1.882	50	20	DDGD	
CC(C)(C)[C@@H](NC(N)=O)C(=O)NNc1c(F)cc(F)cc1F	885153811	QQGGJBFOUKNFOZ-JTQLQIEISA-N	318.299	1.630	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc2nc(O)n(CC)c2c1	887151515	AMJNYJOTQFHECP-UHFFFAOYSA-N	314.345	1.326	50	20	DDGD	
COc1cccc(C[C@@H](O)C(=O)NNc2ccccc2F)c1	785415746	NKLZTQXEQAPUSS-OAHLLOKOSA-N	304.321	1.881	50	20	DDGD	
Cc1cccc(S(=O)(=O)NNC(=O)c2ccccn2)c1F	781555173	ZXXJXERHNBSJED-UHFFFAOYSA-N	309.322	1.152	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)C1CCCCCC1	788230196	IWXCDTKYWDUFJI-UHFFFAOYSA-N	311.407	1.748	50	20	DDGD	
COC(=O)c1ccc(/C=C(/C#N)C(=O)[C@H]2CCCOC2)n1C	899372346	NYLCQHJPXSDSQI-LCFDYFRESA-N	302.330	1.714	50	20	DDGD	
Cc1ccn2ncc(C(=O)NNC(=S)NC(C)(C)C)c2c1	899996818	UJXOYMKETRLMFP-UHFFFAOYSA-N	305.407	1.550	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)C12CCC(CC1)C2	784029447	QCKUTFJCWQCOSQ-UHFFFAOYSA-N	302.374	1.931	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cc2nn[nH]c2cc1F	781957143	LASDPBMHTBUCLY-UHFFFAOYSA-N	316.252	1.762	50	20	DDGD	
Cc1ncc(NC(=O)C(=O)NNc2ccccc2Cl)cn1	784774533	PGAPAQCGPAFOPG-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
COCc1cccc(CC(=O)NNc2nc3ccccn3n2)c1	791249349	SRYDWGJSBDUIHC-UHFFFAOYSA-N	311.345	1.562	50	20	DDGD	
C=C[C@H](NNC(=O)[C@H](C)Oc1ccc(OCC)cc1)C(=O)OC	799976739	VKWBMJWEMDLRGJ-FZMZJTMJSA-N	322.361	1.201	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1ncccc1Cl	794314805	MBQVVNJYJGOZMT-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2n[nH]cc2C)c1	799407294	QYXMEVGIFMOLNN-UHFFFAOYSA-N	303.391	1.966	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)NCC2(C#N)CC2)c1	797581440	UNUIQXAGHBOOQE-UHFFFAOYSA-N	316.361	1.316	50	20	DDGD	
OB(O)[C@@H]1CCN(Cc2cccc(F)c2Br)C1	585079088	RSTKSIXCDUEDRR-SECBINFHSA-N	301.952	1.637	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1ccc2nccnc2c1	1320172464	CZBIXSHQDKUGEP-UHFFFAOYSA-N	308.301	1.107	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)CCO)ccc1OC(C)C	1320569537	KOVRDLPWHPHDQF-UHFFFAOYSA-N	311.338	1.018	50	20	DDGD	
O=C(NCC12COCCN1CCOC2)c1cccc(CCl)c1	1337322958	FVQYJBVYCIUMRK-UHFFFAOYSA-N	324.808	1.256	50	20	DDGD	
C[C@H]1CN(C[C@@H](C)O)CCN1C(=O)c1cccc(CCl)c1	1337228969	MIZJQWAVFRVMRP-QWHCGFSZSA-N	310.825	1.953	50	20	DDGD	
C=CCCN(C)C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1331100892	FZHVHYTYOKWJRY-JOYOIKCWSA-N	303.200	1.311	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCOc2ccccc2C)n1	1344406800	HTUMXRQEKIXNKU-UHFFFAOYSA-N	313.357	1.929	50	20	DDGD	
O=C(NCCC(F)F)NNC(=O)Nc1cc(F)cc(F)c1	1343358552	JKRUNQAZAXVHQS-UHFFFAOYSA-N	308.235	1.956	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](CN)CC(C)C	1340155992	FQIXFPZRVLOFJN-GFCCVEGCSA-N	300.834	1.842	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccc(NC(=O)C2CC2)cc1	1352274973	SVZMLQQVDFOMKG-UHFFFAOYSA-N	320.349	1.448	50	20	DDGD	
Cn1ccc(NNC(=O)[C@@H](CC2CC2)NC(=O)OC(C)(C)C)n1	1353664768	UXBWJWJOQQEVIC-LLVKDONJSA-N	323.397	1.557	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCCCc1ccsc1	1519911484	OEZQRUAYJZFXCU-UHFFFAOYSA-N	309.313	1.964	50	20	DDGD	
O=C(NN=c1cc[nH]c2cccnc12)Nc1cc(C(=O)O)ccn1	1601561692	VFONAZGABIRVLV-UHFFFAOYSA-N	324.300	1.294	50	20	DDGD	
COc1cc(/C=C(\C#N)C(=O)OC(C)C)ccc1-c1nn[nH]n1	1605205000	FOAGEDXRHXKPLS-IZZDOVSWSA-N	313.317	1.734	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC2CC2)cc(C)c1OCC(=O)O	1600095592	NXPFZQDJSFZCMP-UHFFFAOYSA-N	320.345	1.328	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cccc(C(=O)O)c1	1607361990	YIQDLKWTHLZNSF-UHFFFAOYSA-N	303.278	1.332	50	20	DDGD	
N#C[C@@]1(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CC12CCCC2	1606340087	CPOHGLHIMVIDAE-MRXNPFEDSA-N	323.360	1.784	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)C1(C(=O)O)CC2(CCC2)C1	1608472155	IXTAZLOFCLHVSK-UHFFFAOYSA-N	321.333	1.145	50	20	DDGD	
Cc1nc(N)nc(C)c1C(=O)NNc1ccc(F)c(C(=O)O)c1	1607961507	XBIYUOCDSAVTJD-UHFFFAOYSA-N	319.296	1.270	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2ccc(F)c(C(=O)O)c2)on1	1606532605	APSXKWHZDMWAKV-UHFFFAOYSA-N	323.236	1.055	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc(C(=O)O)s2)n1	1610518812	ZJPVZAJNEDOTCF-UHFFFAOYSA-N	305.315	1.225	50	20	DDGD	
Nc1cc(C(=O)NNc2ccc(C(=O)O)cn2)cc(Cl)n1	1610649674	PQRBEGMQHRPYFG-UHFFFAOYSA-N	307.697	1.167	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)ccc1C	1549321910	WEFNCJBHJMLKKK-GDBMZVCRSA-N	317.389	1.317	50	20	DDGD	
C[C@]1(C(=O)NNc2cc(C(F)(F)F)ccc2F)C[C@H](O)CN1	1576350258	MYJNIFHYYNAGFR-QPUJVOFHSA-N	321.274	1.401	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1CCN[C@@H]([C@H]2CCCO2)C1	1575231280	MSNIFNOUMSAYAV-IJLUTSLNSA-N	313.398	1.090	50	20	DDGD	
CC[C@]1(C(=O)NNC(=O)Cc2ccc(Cl)cc2)CCCN1	1577198104	CONLUUKVZJJGPS-OAHLLOKOSA-N	309.797	1.562	50	20	DDGD	
C#CCCCC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1588340790	GFUVMCOORYFONM-UHFFFAOYSA-N	303.326	1.225	50	20	DDGD	
NCCCCCC(=O)NNC(=O)c1nc(Cl)ccc1F	1580292612	GGVSIZXYNNSKRZ-UHFFFAOYSA-N	302.737	1.154	50	20	DDGD	
C/C(=C/C(=O)NNc1ccc(-c2nn[nH]n2)cn1)c1ccccc1	1588765985	MPTSTSWNFJORMB-LUAWRHEFSA-N	321.344	1.808	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)S	1847868241	XRQCEUCTMKKRJM-BJDJZHNGSA-N	318.870	1.914	50	20	DDGD	
CC[C@@]1(C(=O)NNc2ccc(C)c(C(=O)O)c2)CCNC1=O	1595366467	KJTYYVDYWGJUFV-OAHLLOKOSA-N	305.334	1.053	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1ccc2nc(O)[nH]c2c1	1594781390	MMEZCCRUSZPFCM-UHFFFAOYSA-N	313.273	1.119	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNc1ccc(F)c(C(=O)O)c1	1598838115	IWVJAZBFDLXHRV-QMMMGPOBSA-N	312.297	1.556	50	20	DDGD	
CCn1ccnc1CNC(=O)NNc1ccc(F)c(C(=O)O)c1	1597916388	MDOBLMZKOQIAAR-UHFFFAOYSA-N	321.312	1.567	50	20	DDGD	
Cc1nsc(C=NNC(=O)c2ccc(N)cc2)c1C(=O)O	1776014835	GLCUOLQUFHMIGW-UHFFFAOYSA-N	304.331	1.496	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc3cc(F)ccc3o2)[nH]n1	153197079	LNKGASITPPNEIB-UHFFFAOYSA-N	302.265	1.678	50	20	DDGD	
O=S(=O)(CCCCCl)NCCc1ccc2c(c1)OCO2	153341121	DZXVBLRSTJSKBI-UHFFFAOYSA-N	319.810	1.896	50	20	DDGD	
NC(=O)COc1cccc(C(=O)NNc2cccc(F)c2)c1	154168635	HGVHMEJIUIWUNA-UHFFFAOYSA-N	303.293	1.447	50	20	DDGD	
CN(C)C(=O)N1CCC(C(=O)NNc2ccc(C#N)cc2)CC1	155496288	IYOBEMXZBZHWLC-UHFFFAOYSA-N	315.377	1.395	50	20	DDGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCC(N)=O)c1C	5365265	NMFZQCHZNKRDCP-REPOHMLUSA-N	319.361	1.248	50	20	DDGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CC2(CCOC2)C1	815109675	JJTGPFCOEBHUSC-UHFFFAOYSA-N	315.822	1.879	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cccc(F)c1	6310487	FKSMEAAQSXLABG-AWEZNQCLSA-N	316.288	1.427	50	20	DDGD	
O=C(CSc1ccc(F)c(F)c1)NNC(=O)c1ccccn1	20887939	OBPCZCSFJRRPNY-UHFFFAOYSA-N	323.324	1.913	50	20	DDGD	
C#CCNC(=O)NNC(=O)c1sc(-c2ccccc2)nc1C	54420413	FLNWHJBCBJPMQX-UHFFFAOYSA-N	314.370	1.696	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1cccc(OCCOC)c1	53103303	BVNPBXIQJVAHJY-RVDMUPIBSA-N	318.373	1.771	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1	172182840	XDTFORSKANIOJT-QMMMGPOBSA-N	315.351	1.259	50	20	DDGD	
O=C(Cc1cccc(Br)c1)NNc1cccnn1	172366714	CWMXUGPPLGGFMK-UHFFFAOYSA-N	307.151	1.925	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cnc(C)cn2)c(C)c1	68921417	UGJOFDVMKRIQSL-UHFFFAOYSA-N	313.361	1.275	50	20	DDGD	
O=C(CCCOc1ccccc1F)NNC(=O)NCC1CC1	65191663	QEESBSFTMIDBJR-UHFFFAOYSA-N	309.341	1.725	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@@H](C)C#N)c1C	171839847	GHLXXOKISHLPNX-WIJRQFRKSA-N	314.389	1.934	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H]1CCCCN1C(=O)c1ccco1	63265565	JKYCLDXDPRLCBJ-NSHDSACASA-N	322.365	1.013	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCN2CCC(C)CC2)o1	177272539	VCYRVQFVSHBHLN-UHFFFAOYSA-N	308.382	1.264	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)c1	176766306	WQJXYHMSWNWZAI-VIFPVBQESA-N	316.283	1.244	50	20	DDGD	
CC(=O)CCc1ccc(O[C@H](C)C(=O)NNC(=O)C2CC2)cc1	62931207	FNOMVYRDZYFPRS-GFCCVEGCSA-N	318.373	1.533	50	20	DDGD	
CNC(=O)NNC(=S)Nc1ccc(OC(F)(F)F)cc1	63792212	BYYHEIRMGROXBN-UHFFFAOYSA-N	308.285	1.716	50	20	DDGD	
Cc1ccc(C)c(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c1	67508856	MMONOFPKTFQALI-ZDUSSCGKSA-N	310.419	1.409	50	20	DDGD	
CCOCCC1(C(=O)NNC(=O)Cc2cccnc2)CCC1	123786197	HAPSMZPUVFLBKO-UHFFFAOYSA-N	305.378	1.368	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Cc2ccncc2)cc1C	120571393	RNHUQSXYPTVMIM-UHFFFAOYSA-N	313.357	1.467	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1	124659866	INHMSNXGMQRKRI-VHSXEESVSA-N	319.258	1.822	50	20	DDGD	
COc1cccc(CO[C@H](C)C(=O)NNc2ncc(F)cn2)c1	123239511	FRZVJUSUKODHHH-SNVBAGLBSA-N	320.324	1.673	50	20	DDGD	
COc1cccc(NNC(=O)NCCCc2cn[nH]c2C)n1	182401793	CLHUXPHPWUFPER-UHFFFAOYSA-N	304.354	1.381	50	20	DDGD	
O=S(=O)(CBr)NC[C@@H]1Cc2ccccc2O1	126693113	TYXLDKWEFSCREU-VIFPVBQESA-N	306.181	1.262	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCOC2(CCOCC2)C1	154762431	MSIXYKGDJOGRKE-UHFFFAOYSA-N	311.831	1.217	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H](C)Cn2ccnc2)cc1	79512098	KQJCQJYNANAAHK-LBPRGKRZSA-N	315.377	1.478	50	20	DDGD	
CC(=O)Nc1cccc(NC(=O)NNC(=O)c2ccc[nH]2)c1	183238104	ZVUOWIAOKGJLDS-UHFFFAOYSA-N	301.306	1.440	50	20	DDGD	
C[C@H](CN(C)Cc1ccccc1)NC(=O)NNC(=O)C(C)(C)C	181325701	TYIHPDGUMAPXGI-CYBMUJFWSA-N	320.437	1.883	50	20	DDGD	
COc1cc(C)ccc1NC(=O)NNC(=O)c1ccncc1	184550546	RAGRCOYMZPAPHX-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
O=C(NCC1CC1)C(=O)NNc1ccccc1OC(F)(F)F	187969708	OOKLYPWQJPXMQX-UHFFFAOYSA-N	317.267	1.555	50	20	DDGD	
Cc1cnc(NC(=O)C(=O)NNC(=O)CC2CCCC2)s1	124197756	XDLBYNBSONHVRO-UHFFFAOYSA-N	310.379	1.118	50	20	DDGD	
COc1cccc(OC)c1CC(=O)NNc1ccnc(F)c1	182525942	PETZFMHYTFZOAJ-UHFFFAOYSA-N	305.309	1.924	50	20	DDGD	
N#Cc1ccc(NNC(=O)CNCC(F)(F)F)cc1Cl	182408247	RYJHLBANRCHZFD-UHFFFAOYSA-N	306.675	1.807	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc(-c2ccccc2)no1	78910179	AEWZIIAJMZUHBT-UHFFFAOYSA-N	310.313	1.755	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN([C@H](C)c2nccs2)CC1	185702964	ZLRJMRZQJOUCRT-RVROTUBLSA-N	320.418	1.792	50	20	DDGD	
C[C@@H](CBr)CN1Cc2ccccc2C[C@H]1C(N)=O	133594196	DKNALXJLBCOGCG-GWCFXTLKSA-N	311.223	1.930	50	20	DDGD	
CCCCSCCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	131684075	IKCYJBOJCRLMMS-LBPRGKRZSA-N	322.496	1.402	50	20	DDGD	
O=C(C[C@H]1CCCCO1)NNC(=O)c1ccc2ccccc2n1	86961833	KVEAEZWZQFXDCZ-CYBMUJFWSA-N	313.357	1.955	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C\c1ccc2c(c1)OCCO2	192565898	MYGKMEHAMLMPOT-NUBYWOLOSA-N	302.330	1.516	50	20	DDGD	
O=C(Cc1cccc2cccnc12)NNC(=O)c1ccccn1	46577631	JWKQLFDRPKJZOY-UHFFFAOYSA-N	306.325	1.634	50	20	DDGD	
COCCCCNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	194504047	OUNLWEBTAADYGX-RIYZIHGNSA-N	300.362	1.655	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccnn2C(C)C)cc1	131395646	MQCAPVDOQNVVKU-UHFFFAOYSA-N	301.350	1.854	50	20	DDGD	
O=C(NNc1cnccn1)Nc1cnn(-c2ccccc2F)c1	92928471	KTPCAZLBNFUZLI-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
CCOc1ccc(OCC(=O)NNC(=O)c2ccc[nH]2)cc1	96953564	ZTOWXFXXTZHXOO-UHFFFAOYSA-N	303.318	1.253	50	20	DDGD	
Cn1c(=NNC(=O)NCc2cccnc2)sc2ccccc21	255720423	SPRAJZSEAFCUDN-UHFFFAOYSA-N	313.386	1.950	50	20	DDGD	
C[C@@H]1CC/C(=C\C(=O)NNC(=O)Cn2cnc3ccccc32)C1	267856475	MTKNVEGVIYPAML-AUWXEVLLSA-N	312.373	1.930	50	20	DDGD	
O=C(NNC(=O)C1CCSCC1)c1ccc2c(c1)OCCO2	264877290	VNWNAZWGXRQLOT-UHFFFAOYSA-N	322.386	1.362	50	20	DDGD	
CN(CC(=O)NNC(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-]	266212979	GOAKTDXFMDATOJ-UHFFFAOYSA-N	324.337	1.587	50	20	DDGD	
COCCC(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1	263848541	DADKRVQQLHDWPK-UHFFFAOYSA-N	310.350	1.280	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNC(=O)c1ccccc1C)C(C)C	264583614	XWITUKGYTFYXST-LBPRGKRZSA-N	307.350	1.137	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1ccc(Br)cc1	271246412	CMPQCLFRUJQHJP-UHFFFAOYSA-N	314.183	1.684	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccccc1O)N(C)CC(F)(F)F	278679414	QGSDPUDTIKAUCD-MRVPVSSYSA-N	319.283	1.036	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)[C@@H]1CCCN1C1CC1	279803349	IQWQMTQDFFRHQA-VIFPVBQESA-N	315.299	1.565	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)CC(C)(C)C#N)cc1OC	278711169	GOWSVXDPDNVQGX-UHFFFAOYSA-N	319.361	1.795	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1cc2c(s1)CCOC2	363368519	RYNQNIZEPLUHCO-UHFFFAOYSA-N	318.354	1.601	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCO1	271377091	QYTSVDOZAOCBDY-ONGXEEELSA-N	322.321	1.106	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(F)ccc1Br	271250824	FAZDZOFTWQIWEO-UHFFFAOYSA-N	318.146	1.894	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)C(C)(C)c2ccccc2)CCO1	271978195	OCDMWHUXWQZXCH-OLZOCXBDSA-N	304.390	1.927	50	20	DDGD	
CC(C)[C@@H](O)CC(=O)NNC(=O)[C@H]1CCO[C@@H]1c1ccccc1	276898472	RVMUXCWJDMPZNM-OFQRWUPVSA-N	320.389	1.319	50	20	DDGD	
O=C(NNC(=O)c1cc2nccnc2cc1F)NC1CCCC1	279606665	SPSSKVWIUMGVFD-UHFFFAOYSA-N	317.324	1.656	50	20	DDGD	
C[C@H]1C[C@H](CCNC(=O)NNc2cncc(Cl)n2)CCO1	273542207	TXVRZPYOIFFNNA-VHSXEESVSA-N	313.789	1.961	50	20	DDGD	
CC(C)NC(=O)c1ccc(C(=O)NNC(=O)C2CCC2)cc1	271051819	XOOOMUASJVDUQH-UHFFFAOYSA-N	303.362	1.386	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1ccccc1C(F)(F)F	272701138	UJNBIMPEXCSZDC-UHFFFAOYSA-N	303.284	1.940	50	20	DDGD	
Cc1c(NNC(=O)C[C@@H]2CCCC(=O)N2)cccc1[N+](=O)[O-]	289816641	NXBGOCHKQDDFRW-JTQLQIEISA-N	306.322	1.405	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NNc1cccc([N+](=O)[O-])c1	285703630	HXBUBDKDQAGHBT-CYBMUJFWSA-N	306.322	1.439	50	20	DDGD	
CN(C)CC1(CNC(=O)NNc2cccc(F)n2)CCCC1	288653567	LPXKGEFIYBQMRX-UHFFFAOYSA-N	309.389	1.969	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@H]1C[C@H](c2ccccc2)OC1=O	289366993	KYGJFJRTCFMYRR-CHWSQXEVSA-N	318.373	1.874	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNc1nc(-c2cccnc2)no1	282413282	CKTWLYIGJRTFJP-IQJOONFLSA-N	303.322	1.388	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C[C@H]1CCCC(=O)N1)c1ccccc1	289537968	CIFVMFZRWHKPMG-ZIAGYGMSSA-N	317.389	1.386	50	20	DDGD	
COCCN(C)NC(=O)CCc1nc(-c2cccs2)no1	288378889	IPYQKINYGFIMFY-UHFFFAOYSA-N	310.379	1.340	50	20	DDGD	
COC(=O)COCC(=O)NNc1ccccc1C(F)(F)F	287070964	LHHOJRBILAFZAX-UHFFFAOYSA-N	306.240	1.338	50	20	DDGD	
C#Cc1cc(F)c(NC(=O)C(=O)NNC(=O)C(C)(C)C)c(F)c1	283390405	VRQAXRMURBCTTB-UHFFFAOYSA-N	323.299	1.078	50	20	DDGD	
COCCN(C)NC(=O)c1cc(Br)ccc1F	288491680	STZGRLFHJZTURO-UHFFFAOYSA-N	305.147	1.811	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1ocnc1C1CC1	288541779	WSKJVGVTCSPDIW-UHFFFAOYSA-N	315.329	1.530	50	20	DDGD	
O=C(CCNC(=O)NNc1ncccc1F)NC1CCCCC1	286761799	DVWLLICGBJMPBU-UHFFFAOYSA-N	323.372	1.686	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H](C)c1c(F)cncc1F	287234945	HMFBFQHWUMWGQC-QMMMGPOBSA-N	300.309	1.797	50	20	DDGD	
CCN(CC(=O)NNC(=O)Nc1ccc2c(c1)OCO2)C1CC1	802106807	WJEZINDDXZKAJD-UHFFFAOYSA-N	320.349	1.052	50	20	DDGD	
O=C(NNc1cnccn1)Nc1cccc(C2OCCO2)c1	808855576	DVTJKPPVVGCDOY-UHFFFAOYSA-N	301.306	1.671	50	20	DDGD	
CCc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1cnn(C)c1	801673430	AWFUTFDFSCFJTC-LSDHHAIUSA-N	312.373	1.547	50	20	DDGD	
O=C(Cc1ccc2c[nH]nc2c1)NNc1nccnc1Cl	806864384	CAXCKUPUSUJBDJ-UHFFFAOYSA-N	302.725	1.692	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)NNc1ccc2c(=O)[nH]ccc2c1	803436246	XIEMIDRTQUYXAJ-YGRLFVJLSA-N	313.357	1.977	50	20	DDGD	
CCC[C@H](CNC(=O)NNc1ccc(-n2cccn2)nn1)OC	297723137	SRXCNLYZRDUPCX-LLVKDONJSA-N	319.369	1.104	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNS(=O)(=O)c2ccc3c(c2)CCC3)O1	295217194	QIEVWCBCXOYGJJ-HZMBPMFUSA-N	324.402	1.052	50	20	DDGD	
COc1nc(C)ccc1C(=O)NNc1ccc2c(=O)[nH]ccc2c1	803437144	JLCKEHBXVPPZJO-UHFFFAOYSA-N	324.340	1.997	50	20	DDGD	
C#Cc1cncc(C(=O)NNc2ccnc(Br)c2)c1	807260227	AEHZFIRHISJMNT-UHFFFAOYSA-N	317.146	1.977	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)Nc2ccc(C(=O)O)cc2)nn1	807974026	QRPGVPKBDVDFTC-UHFFFAOYSA-N	316.321	1.713	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)cc1C	800830980	OKMPENUIAVBQQV-UHFFFAOYSA-N	310.297	1.733	50	20	DDGD	
Cc1nc(CCNC(=O)NNc2ncncc2F)sc1C	293024813	MYZLJPCSINKAME-UHFFFAOYSA-N	310.358	1.558	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@H](c1ccc(F)cc1)N(C)C	299000931	UDWBTZIXJJXCDF-CQSZACIVSA-N	324.400	1.805	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCc1ccc(O)nc1	808125324	TXXITGHJSVUQSO-UHFFFAOYSA-N	322.796	1.812	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cncc(-n3ccnn3)c2)cc1	801928971	DDLDLNYWDFICPB-UHFFFAOYSA-N	305.301	1.291	50	20	DDGD	
CC(C)(C)OCC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802102815	YXLJGLNBPDRRMA-UHFFFAOYSA-N	309.322	1.383	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc2c(c1)CCC(=O)N2COC	801787831	MBCZGQYFSVFRMW-UHFFFAOYSA-N	320.349	1.132	50	20	DDGD	
CCOC(=O)N[C@H](CNC(=O)NNc1ccncn1)CC(C)C	296591910	XEHDNGDBCXHOAW-NSHDSACASA-N	324.385	1.264	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)NCCc1cccs1	800328151	HWBOIPBHXDBEMG-HOSYDEDBSA-N	311.407	1.435	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1cnc2nccnc2c1	805465853	FLCDSZUXIYKAQI-UHFFFAOYSA-N	321.344	1.839	50	20	DDGD	
CCc1nnc(CNC(=O)NNC(=O)c2ccccc2C)s1	291050143	DMNXPOLGUTVAEZ-UHFFFAOYSA-N	319.390	1.553	50	20	DDGD	
CCNC(=O)NNC(=O)C1CCC(OC[C@H]2CCCO2)CC1	815113856	BBDBYCILOJTGFW-WXRRBKDZSA-N	313.398	1.091	50	20	DDGD	
Cc1nn(C)cc1C=NNC(=O)Nc1ccc2c(c1)OCO2	814993313	QYWYKUZVPLOTGU-UHFFFAOYSA-N	301.306	1.613	50	20	DDGD	
CC[C@H](C)C(=O)NN=C1CCCc2ccc(S(N)(=O)=O)cc21	811638847	DFZXKFLVXOSNGE-JTQLQIEISA-N	323.418	1.537	50	20	DDGD	
CO[C@H]1CCC[C@@H](C(=O)NNC(=S)Nc2ccccn2)C1	814413605	JTRFJFJHJRENPU-MNOVXSKESA-N	308.407	1.604	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C1CC(c2ccccc2)C1	814874006	ZXJQUXGWJQAAJJ-UHFFFAOYSA-N	322.368	1.861	50	20	DDGD	
O=C(CCCc1ccccc1Cl)NNC(=O)Cc1cc[nH]n1	810357490	UXDXCEYSQYQRQB-UHFFFAOYSA-N	320.780	1.776	50	20	DDGD	
CCC(=NNC(=O)Nc1ccc(S(N)(=O)=O)cc1)C1CC1	814963980	LHFKTAQUCAVKGC-UHFFFAOYSA-N	310.379	1.632	50	20	DDGD	
Cn1nncc1NNC(=O)CSCc1cccc(Cl)c1	816769310	BRRQUYMSFPCWOD-UHFFFAOYSA-N	311.798	1.845	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc(-c2ccccc2)c(C)n1	810385414	RYMVQXJKRONGDJ-UHFFFAOYSA-N	312.329	1.163	50	20	DDGD	
O=S(=O)(CBr)N1C[C@@]2(CCCO2)[C@H]1C1CC1	815104251	FOSKZRNYXYJXRR-ZJUUUORDSA-N	310.213	1.312	50	20	DDGD	
COc1ccc(-c2csc(NNC(N)=O)n2)c2c1C(=O)CO2	811633566	PZDSDRFLSBTSDO-UHFFFAOYSA-N	320.330	1.389	50	20	DDGD	
NC(=O)c1cc(NC(=O)NNc2ncncc2F)ccc1F	814582952	PJCASOKNUNHFQA-UHFFFAOYSA-N	308.248	1.002	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cc(CN2CCCC2)on1	812461993	MHESUXCATOQEPT-UHFFFAOYSA-N	306.366	1.222	50	20	DDGD	
COc1ccc(OC)c(C2=NO[C@@H](C(=O)NN(C)C3CC3)C2)c1	819652324	LGEDHQNEQMZLKM-OAHLLOKOSA-N	319.361	1.322	50	20	DDGD	
CNC(=O)c1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C)c2)cn1	728765297	JZQQTSGSWNWWAF-UHFFFAOYSA-N	315.285	1.877	50	20	DDGD	
CCOCCNC(=S)NNC(=O)Cn1ccc2ccccc21	729646475	YQWBNRJBEUGZJI-UHFFFAOYSA-N	320.418	1.173	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1	826269033	YCUQGYSVGGLOIR-UHFFFAOYSA-N	301.285	1.399	50	20	DDGD	
C[C@@H]1CCCC[C@H]1C(=O)NNC(=O)CNC(=O)OC(C)(C)C	496222832	DXFIMXZSGLYIFG-GHMZBOCLSA-N	313.398	1.485	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc2oc(CC)nc2c1	495892110	MELSRWYIDIMDBK-UHFFFAOYSA-N	320.305	1.106	50	20	DDGD	
Cn1c(S)nnc1CNC(=O)/C(C#N)=C\c1ccc(O)cc1	490910738	RVDBZIRHNUXCRX-POHAHGRESA-N	315.358	1.033	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C2(C)CCOCC2)c1	726752510	OGNNBCIEOKVQMD-UHFFFAOYSA-N	322.361	1.282	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CC[C@H]2CC2(Cl)Cl)cn1	828088525	WWBAEILFYXMSRT-QMMMGPOBSA-N	305.165	1.155	50	20	DDGD	
C[C@@]1(C(=O)NNc2cc(Cl)nc(Cl)c2)CCNC1=O	823800622	HSENEICJJRLEBZ-LLVKDONJSA-N	303.149	1.358	50	20	DDGD	
CC(C)O[C@H](C(=O)NNc1nccn(C)c1=O)c1ccccc1	826620571	QEKKLZZJDCVJCD-ZDUSSCGKSA-N	316.361	1.390	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc2c(OC(F)F)cccc2[nH]1	823976731	ICSXTUWPDMHUHT-MRVPVSSYSA-N	313.304	1.727	50	20	DDGD	
O=C(c1cc(-c2ccc(F)cc2)on1)N1CC[C@H](B(O)O)C1	585067416	WPWYAESBIKCRQB-JTQLQIEISA-N	304.086	1.170	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)C[C@@H]1C=CCCC1	495545503	ORHYBQKDFQKPDV-LLVKDONJSA-N	311.382	1.405	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C	493269952	SPOUQHDHCYHXKG-VIFPVBQESA-N	303.359	1.313	50	20	DDGD	
CCO[C@@H]1COCC[C@H]1NC(=O)/C(C#N)=C\c1ccc(O)cc1	491044022	AZVDOIVOKXKRKN-WTEYMAAXSA-N	316.357	1.609	50	20	DDGD	
CCCc1nc(C)c(NC(=O)NNC(=O)c2cc[nH]n2)s1	822759490	REHHYXUASLMMFL-UHFFFAOYSA-N	308.367	1.594	50	20	DDGD	
CC(=NNC(=O)CCNC(=O)OC(C)(C)C)c1cnoc1C	495958880	GBEBGKXMUCDUOU-UHFFFAOYSA-N	310.354	1.738	50	20	DDGD	
CC[C@](C)(O)C(=O)NNc1cc(C#N)ccc1Br	825156908	BSTUQRXWUYDBRG-LBPRGKRZSA-N	312.167	1.925	50	20	DDGD	
CC(C)Oc1ccccc1[C@H](C)NCc1ccc(B(O)O)o1	585015332	AGYFJHZAOGAESV-LBPRGKRZSA-N	303.167	1.597	50	20	DDGD	
COC(=O)N1CC(NC(=O)NNc2c(C)cccc2Cl)C1	496901864	KOQUSYKWSDJTKY-UHFFFAOYSA-N	312.757	1.725	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@@H](NC(=O)O)C(C)C)o1	736522191	BLRNWOTXYRGTCD-VIFPVBQESA-N	309.326	1.405	50	20	DDGD	
COC(=O)[C@@H](C)CN(C(=O)/C(C#N)=C/c1cnn(C)c1)C1CC1	491138525	ZGPFQICSTAYWIZ-HOVAHTAHSA-N	316.361	1.127	50	20	DDGD	
C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CC[C@@H](B(O)O)C1	585074479	AHPIXYGRHJPJRG-TZMCWYRMSA-N	319.210	1.827	50	20	DDGD	
C#CCN(C)CCCNC(=O)[C@@H](Br)C(C)(C)C	491495336	IOLAVIUVQGNKTG-LLVKDONJSA-N	303.244	1.867	50	20	DDGD	
CC(C)[C@@]1(CO)CCCN(C(=O)/C(C#N)=C/c2cnn(C)c2)C1	491138448	ZAMLZMWAUUYUQY-QRMGNNRRSA-N	316.405	1.584	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)N(C)C(=O)/C(C#N)=C/c1ccc(O)cc1	490910066	PSQLDQIIFOAZQS-ZWSXMNCCSA-N	322.386	1.191	50	20	DDGD	
C[C@H](NC(=O)[C@@]1(C)C[C@@H]1Br)c1nnc2n1CCC2	906379041	XEESTYGYSDZFHL-UBJUHAIHSA-N	313.199	1.575	50	20	DDGD	
Cn1cncc1CC(=O)NN=c1sc2ccccc2n1C	588514129	XKMIPJKLSLNORW-UHFFFAOYSA-N	301.375	1.148	50	20	DDGD	
CCCCNC(=O)NN=Cc1ccc(O)c(OC)c1[N+](=O)[O-]	834944587	UDPKXQBIQCBQRA-UHFFFAOYSA-N	310.310	1.742	50	20	DDGD	
COCCN(C)NC(=O)C1(NC(=O)NC(C)C)CCCCC1	837627854	LNQWEKWSTAVJSD-UHFFFAOYSA-N	314.430	1.006	50	20	DDGD	
O=C1C[C@H](C(=O)NN=c2cc[nH]cc2Cl)[C@@H]2CCCC[C@@H]2N1	832243648	UWXPSKZICXCLSC-NHCYSSNCSA-N	322.796	1.295	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@]2(C)C[C@@H]2Br)n1	906067234	LFAHXPAMMZWWSQ-WKEGUHRASA-N	301.144	1.102	50	20	DDGD	
C[C@H](CNC(=O)NNc1ccc(-n2cccn2)nn1)C(C)(C)C	734674747	PABQSECBWJQDOY-LLVKDONJSA-N	317.397	1.971	50	20	DDGD	
Cc1cc(C(=O)N2CC[C@H](B(O)O)C2)c(C)n1-c1ccccn1	585068442	AWZQIVAIOHCAAP-ZDUSSCGKSA-N	313.166	1.178	50	20	DDGD	
Cc1cc(NNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)ncn1	734254228	OUUFWGILXUCVRJ-UHFFFAOYSA-N	312.289	1.931	50	20	DDGD	
O=C(O)[C@H]1C[C@@H]1C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	739550193	WWXWFJQGDJBTJH-IUCAKERBSA-N	322.708	1.554	50	20	DDGD	
Cc1ncc(Br)cc1NC(=O)NNC(=O)C1CC1	836737040	VIXKAOUZCAWEAR-UHFFFAOYSA-N	313.155	1.715	50	20	DDGD	
OB(O)c1ccccc1CNC[C@@H](c1ccccc1)C(F)(F)F	585036631	MZARZLUCPGZYSE-AWEZNQCLSA-N	323.123	1.802	50	20	DDGD	
CCn1cc(Cl)cc1C(=O)NNC(=S)NCCSC	907196991	SIZMVZAIEYDFDM-UHFFFAOYSA-N	320.871	1.633	50	20	DDGD	
CC[C@H](CNCc1ccc(B(O)O)o1)Oc1ccccc1Cl	585031123	RKTBPWREWOEOBV-LLVKDONJSA-N	323.585	1.560	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCC[C@H]1CCOC1	836292235	NMLYUNKNDVXOAI-LBPRGKRZSA-N	321.377	1.456	50	20	DDGD	
COc1ccc(NNC(=O)[C@]2(C)C[C@H]2Br)nc1	907590785	QCBRSOYLFXXRRU-LDYMZIIASA-N	300.156	1.707	50	20	DDGD	
CC(C)(C)[C@@H]1OCCC[C@@H]1CNCc1ccc(B(O)O)cc1F	585024232	VONKSSDLKNCGMR-CZUORRHYSA-N	323.217	1.436	50	20	DDGD	
CCn1ccnc1[C@H](C)NC(=O)NNC(=O)c1ccccc1F	836429855	UMTOPSSXEHKRDK-JTQLQIEISA-N	319.340	1.747	50	20	DDGD	
CCC(Cc1cccs1)=NNC(=O)[C@H]1CCS(=O)(=O)C1	730948073	XBLLHEPSZGKYFA-JTQLQIEISA-N	314.432	1.608	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2C[C@@H](C)n3ccnc32)n1	836626344	AMEZIZFURIHDOD-MNOVXSKESA-N	301.354	1.622	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)C2CCC2)cc1	837315187	ORXVNOMEIQPRJP-LLVKDONJSA-N	303.362	1.517	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H](C)CN2C[C@H](C)O[C@@H](C)C2)c(C)[nH]1	917576284	PYDOTDLAWQCARB-XBFCOCLRSA-N	320.437	1.827	50	20	DDGD	
NS(=O)(=O)c1cc(C(=O)NNc2ccccc2F)cs1	748055770	IANFKUAANSOYBP-UHFFFAOYSA-N	315.351	1.292	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cccc2c1OCCO2	742814911	RTBCRULDMQYJCG-UHFFFAOYSA-N	304.224	1.171	50	20	DDGD	
N#CC1(CNC(=O)NNC(=O)Cc2ccc(F)cc2)CCC1	842196402	KWHWDYBXBKMNMM-UHFFFAOYSA-N	304.325	1.392	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@H]1COCc2ccccc21	842188597	IUYLEEGUOAOEJE-JTQLQIEISA-N	317.267	1.541	50	20	DDGD	
N[C@H]1CCC[C@H](NC(=O)NNC(=O)c2ccc(Cl)cc2)C1	841981794	IXVUXUXDHBXUES-RYUDHWBXSA-N	310.785	1.554	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cc(C)n(C)n2)cc1OC	841603664	IEQLWCDBTNYYAS-UHFFFAOYSA-N	302.334	1.510	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2cnc3cnccn23)c1	746366535	OWLALFDAKPJXGU-UHFFFAOYSA-N	309.329	1.567	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)COc2ccc(C#N)cc2)[C@H]1OC	841606806	LNRROSZCQAMPHJ-GDBMZVCRSA-N	317.345	1.233	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)OCCN2CCOCC2)c1	747680539	JVSVLRLFKPJTFD-PTNGSMBKSA-N	316.357	1.478	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCCCNc1ccccn1	918068294	IILCYTUXNRBHFU-UHFFFAOYSA-N	319.287	1.166	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1cccc2cccnc12	843971100	AKYMGXAOQWEYCJ-FZMZJTMJSA-N	313.357	1.350	50	20	DDGD	
C[C@H]1[C@H](C)CCC[C@H]1CNC(=O)NNC(=O)c1ncccn1	841585392	DBENLKIHRMJUPE-WOPDTQHZSA-N	305.382	1.493	50	20	DDGD	
O=C(NC[C@@H]1CCCCN1)NNC(=O)c1cc2ccccc2o1	841920862	NQFGYOYMIUSWOD-LBPRGKRZSA-N	316.361	1.519	50	20	DDGD	
CC(=O)NCCCNC(=O)NNc1ccc(Cl)cc1F	914125481	GNMGTXRWVARJBL-UHFFFAOYSA-N	302.737	1.631	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccccc1F)[C@@H]1CCCNC1	841928948	VUOCGHIPGUVISL-WDEREUQCSA-N	308.357	1.158	50	20	DDGD	
C[C@@H]1OC(=O)N[C@H]1C(=O)NNc1cc(Cl)ccc1Cl	841409287	RRYTXQNDSMSJRC-SSDLBLMSSA-N	304.133	1.933	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)c1cc(OC)cc(OC)c1	742473325	BHKGQGDIWIJEIF-UHFFFAOYSA-N	322.361	1.448	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)COc2ccccc2F)[C@H]1OC	841607286	UJTHKOQLNBYDEF-UKRRQHHQSA-N	310.325	1.501	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc(Cl)c(Cl)c1	843642933	YTUFFELEAGFYBQ-XPUUQOCRSA-N	318.160	1.574	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2n[nH]c3c2CCCC3)n1	748340607	XWDADWLIEIEOQO-UHFFFAOYSA-N	306.757	1.797	50	20	DDGD	
CN1C(=O)C(=CNc2ccc(SC#N)cc2)C(=O)N(C)C1=O	920975057	YSDJBOQHVDWIID-UHFFFAOYSA-N	316.342	1.606	50	20	DDGD	
Cc1oc(-c2ccco2)nc1CC(=O)NNC(=O)NCC1CC1	749586310	UYDSOBDLUNYCDV-UHFFFAOYSA-N	318.333	1.526	50	20	DDGD	
O=C(NNC(=O)c1cccc2ccccc12)c1ccc(O)nn1	741702447	QFPCQMONFPGZQY-UHFFFAOYSA-N	308.297	1.410	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)C(=O)N2CCCC2)c1	748151772	OEEKVQMHMQNUQC-UHFFFAOYSA-N	320.418	1.243	50	20	DDGD	
O=C(NNC(=S)NCC1CC1)c1nnc(-c2ccccc2)o1	849254340	IXHXJPBFVRGHFN-UHFFFAOYSA-N	317.374	1.256	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H](F)C(F)(F)F)cc1	846376202	UOJCOOQNKDQLMS-SNVBAGLBSA-N	308.231	1.746	50	20	DDGD	
COc1cc(C=NNC(=O)c2ncccn2)c2c(c1)C[C@@H](C)O2	841664155	IKCFXBKDVGXXCD-SNVBAGLBSA-N	312.329	1.573	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccn1)[C@@H]1CCCS1(=O)=O	848159393	YFTWPGXJXXMIOW-QMMMGPOBSA-N	323.296	1.121	50	20	DDGD	
CN(NC(=O)CSCC(=O)N1CCCCC1)c1ccccc1	849205510	KAJDQUAJSMHJIP-UHFFFAOYSA-N	321.446	1.900	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N[C@@H](C)CCN)c2ccccc2n1	841967904	RKSZAQSQMOAMCP-JTQLQIEISA-N	315.377	1.225	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CO[C@H]2CCCC[C@@H]2C)nc1	759729203	PIZKEYUPTPDFTO-AAEUAGOBSA-N	321.377	1.907	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1ccc(O)c(O)c1	920375457	ZTXPKICEOMQCQF-UHFFFAOYSA-N	300.314	1.799	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H](C)[C@H]2CCCOC2)c1	858353285	KDIOZEHLIWVGRI-QWRGUYRKSA-N	311.407	1.816	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=Cc1cnc2n1CCC2	853271530	FWOBJTYKGOAREE-UHFFFAOYSA-N	309.329	1.230	50	20	DDGD	
Cc1ccc(OCC(=O)NN=C2CN(C3CC3)C[C@H]2C)cc1	755886733	DEQJEJLTODXTAG-CYBMUJFWSA-N	301.390	1.960	50	20	DDGD	
COc1cccc(OC)c1C(=O)NNC(=O)OCC(F)(F)F	856021454	GAYSODDBQYXCAU-UHFFFAOYSA-N	322.239	1.637	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)NCC)cnn1C1CCCC1	751533501	JWDVLNYSMFMINO-UHFFFAOYSA-N	307.398	1.915	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(OCCC(=O)OC)cc1	756279878	WKHIAPSPUDHDEW-UHFFFAOYSA-N	309.322	1.191	50	20	DDGD	
CCC1(CC)CCCN(C(=O)NNC(=O)c2ncccn2)C1	852384236	AQVWCWZHFLECAC-UHFFFAOYSA-N	305.382	1.733	50	20	DDGD	
CC1=C(C(=O)NCCCSC#N)[C@@H](C)n2ncnc2N1C	854359088	DJGGAZTUDOHBHI-SNVBAGLBSA-N	306.395	1.283	50	20	DDGD	
CCN1CCCC[C@H]1CNC(=O)NNc1ncc(Cl)cn1	856861705	HUPFHDJCBQNWMD-NSHDSACASA-N	312.805	1.631	50	20	DDGD	
Cc1cc(CCC(=O)NNC(=O)COc2ccccc2F)no1	929250058	WITFNUQJGLUMCP-UHFFFAOYSA-N	321.308	1.281	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NNC(=O)CC2CC2)C1	854667222	JHUIFTODPXAKHQ-XYPYZODXSA-N	311.382	1.237	50	20	DDGD	
CC(C)C[C@@H]1COCCN1C(=O)NNC(=O)c1cccc(F)n1	852709821	GEOGRBNMHSGNND-LLVKDONJSA-N	324.356	1.322	50	20	DDGD	
CCCC1(C(=O)NNC(=O)CNC(=O)c2cccs2)CCC1	759179395	IAMYTABHXODDJB-UHFFFAOYSA-N	323.418	1.596	50	20	DDGD	
C[C@@H]1C(=NNC(=O)c2cn(C)nn2)CC[C@@H](C(=O)O)C1(C)C	853383381	VMTNMYHDIRGLQG-BDAKNGLRSA-N	307.354	1.058	50	20	DDGD	
O=C(NNC(=O)c1cc(F)ccc1O)c1ccc(Cl)cc1O	751062348	DFYABHLLTHOCTM-UHFFFAOYSA-N	324.695	1.965	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc(F)c(C#N)c1	854284572	PGLWRGNNYZTGKF-UHFFFAOYSA-N	324.381	1.185	50	20	DDGD	
CN(CC(=O)NC[C@@]1(C)C[C@@H]1Br)C(=O)C1CC1	857397033	IIVKAHIWZXBWDS-JOYOIKCWSA-N	303.200	1.145	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)c1cn[nH]c1)C1CCCCC1	858334870	SJIGNJZZYFLGMJ-UHFFFAOYSA-N	307.398	1.960	50	20	DDGD	
C[C@H](O)C[C@H](C)CNC(=O)NC[C@@]1(C)C[C@H]1Br	856955548	MHZYRMWPKBPGBT-UXCLJVHYSA-N	307.232	1.866	50	20	DDGD	
CC(=O)NN=Cc1cc(C(F)(F)F)ccc1N(C)CC(=O)O	755468580	WHOPRIUUBVTWHL-UHFFFAOYSA-N	317.267	1.696	50	20	DDGD	
O=C(CNc1ccccc1)NN=Cc1cn(-c2ccccc2)nn1	755489257	SLIOYIUCSDXCHN-UHFFFAOYSA-N	320.356	1.830	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCCCc1ccc2c(c1)OCCO2	758414904	FOIWTZSPUMWFIU-WYMLVPIESA-N	316.357	1.951	50	20	DDGD	
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)C(C)C	921294888	CPEZOZCFUDXTQX-UHFFFAOYSA-N	315.351	1.123	50	20	DDGD	
CCS(=O)(=O)N[C@H](C)C(=O)NNc1ccc(C)cc1Cl	854843545	ROWMOTGDFPBZJJ-SECBINFHSA-N	319.814	1.419	50	20	DDGD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NC[C@@]1(C)C[C@H]1Br	857400692	JFHOWQFXYUGJQF-MEWQQHAOSA-N	320.227	1.860	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cccc(N2CCCCC2)c1	756193577	IZCSFCWNYLNMJX-UHFFFAOYSA-N	306.366	1.476	50	20	DDGD	
CCc1noc(C)c1CNC(=O)NNc1ncc(Cl)cn1	856909770	JLNWMADBWNRGJK-UHFFFAOYSA-N	310.745	1.815	50	20	DDGD	
CCOCC(=O)NN=Cc1cc(O)c(O)c(Br)c1	757574657	KOBZSPZTBWADEH-UHFFFAOYSA-N	317.139	1.347	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1scc(C)c1Br	854920109	KJIAMDLEYIRYJT-UHFFFAOYSA-N	322.253	1.900	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1ccc2c(c1)OCO2)c1ccco1	858121630	JLHRWSIDUSEFGG-SNVBAGLBSA-N	316.313	1.963	50	20	DDGD	
C[C@@]1(CNC(=O)CCCCNC(N)=O)C[C@@H]1Br	857402898	GMESOMFMUPWJJO-KWQFWETISA-N	306.204	1.115	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2NC(=O)CC23CCCCC3)cn1	854450942	ODHJSJKTSRLBOY-NTUHNPAUSA-N	313.361	1.293	50	20	DDGD	
Cn1ccc(CCC(=O)NC[C@]2(C)C[C@@H]2Br)n1	857387274	GOVNQXZVBKKJQP-JQWIXIFHSA-N	300.200	1.642	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccc(C)cc1Cl	869906702	POSLBYJSBJHWPT-UHFFFAOYSA-N	300.742	1.072	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(Br)nc2)ncn1	764232847	BFJAETNCPRXJJK-UHFFFAOYSA-N	308.139	1.699	50	20	DDGD	
COc1ccc2c(c1)OC[C@H](C(=O)NN=c1cc[nH]c(C)c1)C2	862510858	WOLKYKYUIMOQBN-CYBMUJFWSA-N	313.357	1.515	50	20	DDGD	
Cc1cc(=NNC(=O)c2c(C)nc(C(C)(C)C)nc2O)cc[nH]1	862512904	LCBATLZSCJDITM-UHFFFAOYSA-N	315.377	1.670	50	20	DDGD	
CC1(C)[C@]2(C(=O)NNc3ncncc3F)CC[C@@]1(C)C(=O)O2	861817778	RUCIAHNOIFQFLR-UONOGXRCSA-N	308.313	1.181	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H](C)OCc2ccccc2)n[nH]1	869013053	KAKMOHVPBDVPQH-LBPRGKRZSA-N	316.361	1.013	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@H]2CCC(=O)[C@@H](C)C2)c1	763259019	QDYFNUGGBCUWJQ-STQMWFEESA-N	318.373	1.527	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H](O)c1cccnc1	764945147	KNMRUTOXKYOBMA-CYBMUJFWSA-N	304.258	1.637	50	20	DDGD	
Cc1nc2ccnn2c(C)c1C(=O)NNC(=O)C1CCCC1	760392756	WRCYJPDYELWEDV-UHFFFAOYSA-N	301.350	1.297	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CCc2ccccc2Cl)n[nH]1	869013017	ISOOLNNCFPMLGH-UHFFFAOYSA-N	320.780	1.694	50	20	DDGD	
Cc1c(F)cccc1NC(=O)C(=O)NNC(=O)CC(F)(F)F	764115104	NHEFQWMCINGBNH-UHFFFAOYSA-N	321.230	1.172	50	20	DDGD	
COCC(=O)NN=Cc1cc([N+](=O)[O-])ccc1OC(F)F	761819681	ZAVWHZWGPYAQSG-UHFFFAOYSA-N	303.221	1.293	50	20	DDGD	
O=C(NNc1cccnn1)c1ccc(-c2nnc(S)o2)cc1	760046370	QSOBXWQIDFAHFL-UHFFFAOYSA-N	314.330	1.572	50	20	DDGD	
Cc1cccc2c1[C@H](C)CC2=NNC(=O)[C@H](C)NS(C)(=O)=O	766706267	QWPZTKOKCFKWPQ-MNOVXSKESA-N	323.418	1.260	50	20	DDGD	
CC(=NNC(=O)c1ccccc1F)c1cc(C(N)=O)n(C)c1	767050977	CPEYDRYEMMDCPF-UHFFFAOYSA-N	302.309	1.417	50	20	DDGD	
CCn1ccc(NC(=O)NNCC(F)(F)C(F)(F)F)n1	861214794	PXWHSOKYHPIFEL-UHFFFAOYSA-N	301.219	1.727	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccccc2OCC(C)C)n[nH]1	768278171	JCOAYHNKYJSJQR-UHFFFAOYSA-N	316.361	1.828	50	20	DDGD	
CC[C@@H](SC)C(=O)OCC(=O)NNC(=O)c1ccccc1	767682564	GHIPJDSIHANUKE-LLVKDONJSA-N	310.375	1.132	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C(C)C)nnn1Cc1ccc(F)cc1	767428621	IDRPFEZOUYURJK-UHFFFAOYSA-N	319.340	1.191	50	20	DDGD	
Cc1cccc(CO[C@@H](C)C(=O)NNc2ncc(F)cn2)c1	867043135	GCFXSFMVRZNYFW-NSHDSACASA-N	304.325	1.973	50	20	DDGD	
CO[C@@]1(CNC(=O)NNc2cc(F)c(F)c(F)c2)CCOC1	764810417	PEKYMJLNXIFSKI-CYBMUJFWSA-N	319.283	1.536	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cc(C2CCOCC2)nn1C	861518025	YRTSDBHVZXKZIY-UHFFFAOYSA-N	323.397	1.513	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C(F)(F)c1ccc(F)cc1	1115899838	RMBLMIQLDRASOT-UHFFFAOYSA-N	305.325	1.821	50	20	DDGD	
CN[C@H](C)CCNC(=O)NNC(=O)c1ccc(Cl)cc1F	1118031587	DDSFZIVMKKQGOV-MRVPVSSYSA-N	316.764	1.421	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1nc2ccccc2s1)C(=O)OC	874914388	VAPRZMBVOBPOLE-QMMMGPOBSA-N	321.358	1.257	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc(-c2ccccn2)no1	1116179186	GZPGKUPYSBQYTO-UHFFFAOYSA-N	305.363	1.254	50	20	DDGD	
COCCOCC(=O)NN=C1CC[C@@H](C(=O)O)C(C)(C)[C@H]1C	872400710	PNFSVLIVJFENPV-QWRGUYRKSA-N	314.382	1.279	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCC(Nc2ccccc2)CC1	1118991585	ZPKRAPKGFYHPRV-UHFFFAOYSA-N	324.189	1.083	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1O	776168894	NDJPPRVOVOURJA-UHFFFAOYSA-N	319.233	1.361	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1csc(-c2ccccc2F)n1	1117693026	RCMKAEQCMORQFG-UHFFFAOYSA-N	321.333	1.962	50	20	DDGD	
CO[C@@H](C(=O)NNc1nc2ccccc2c(=O)n1C)C(C)C	771354107	NHPRKKHSSSMDHB-GFCCVEGCSA-N	304.350	1.048	50	20	DDGD	
CC(CCc1cccnc1)=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	872388318	FEPWVVNIYDZJRH-CVEARBPZSA-N	316.405	1.370	50	20	DDGD	
CCc1cc(CNC(=O)NNc2ccc(C(C)(C)C)nn2)n[nH]1	1116106390	FMXLCPJJZIXXGW-UHFFFAOYSA-N	317.397	1.886	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H](C)CSC)c1	874950054	MRTDKWMVABPRFT-SNVBAGLBSA-N	307.444	1.985	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2ccc(Br)c(F)c2)C1	771682978	WSMQXWKTNZYPTK-MRVPVSSYSA-N	316.174	1.983	50	20	DDGD	
O=C(NCc1ccc2c(c1)COC2)NNC(=O)c1ccc[nH]1	770415666	WPDOKWIBZYQJDI-UHFFFAOYSA-N	300.318	1.189	50	20	DDGD	
CCC(C)(C)NC(=S)NNC(=O)c1cccc([N+](=O)[O-])c1	774138789	QBGDXQNXGLZTFI-UHFFFAOYSA-N	310.379	1.892	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1cc(F)c(F)c(F)c1	779816045	RCPOSWCPJNDAEJ-UHFFFAOYSA-N	303.284	1.853	50	20	DDGD	
CC(C)COc1cccc(OCC(=O)NNC(=O)C(C)C)c1	772792651	WWRCVMDLKWOMSA-UHFFFAOYSA-N	308.378	1.904	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1cc(N2CCNC2=O)ccc1C	775741930	UPVNVRHRQZAONN-BENRWUELSA-N	314.345	1.907	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1ccc(SCC)cc1	883827648	CMVWCDINQLSCKF-UHFFFAOYSA-N	311.407	1.666	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2ccnc(Br)c2)c[nH]1	771547927	XQIISLMALPJTCB-UHFFFAOYSA-N	324.138	1.028	50	20	DDGD	
CC(C)c1[nH]nc(C(=O)NN=c2cc[nH]cc2Cl)c1[N+](=O)[O-]	771615576	FOCWSQMIXUYKQF-UHFFFAOYSA-N	324.728	1.669	50	20	DDGD	
BrC/C=C/n1cc(CCCN2CCOCC2)nn1	881296091	YMIRFYXATGTKNQ-QHHAFSJGSA-N	315.215	1.409	50	20	DDGD	
O=S(=O)(CCCCl)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1	882210229	WGYCYCJAMAGTSV-NWDGAFQWSA-N	307.843	1.979	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)Cc1ccc(O)cc1	780737407	MKTWWONPHUKXFI-UHFFFAOYSA-N	300.314	1.865	50	20	DDGD	
C[C@@H]1CN(CCCNS(=O)(=O)CCCCl)CCCO1	882129704	ZXNIOOCRAWQSSC-GFCCVEGCSA-N	312.863	1.036	50	20	DDGD	
CC(C)[C@@H]1C[C@H](CC(=O)NNC(=O)CC(F)(F)F)CCO1	781679678	KFNBOFKAHUXUMW-ZJUUUORDSA-N	310.316	1.928	50	20	DDGD	
O=C(NCc1ccc(Cl)s1)NNC(=O)C1CCOCC1	883141690	JXSGQFXYURWGHG-UHFFFAOYSA-N	317.798	1.659	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H]2Cc3ccccc3CN2)nn1	892808744	PTJUBKVGVUZKMW-AWEZNQCLSA-N	312.377	1.126	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)CCCc2ccsc2)n1	783028408	RDCWTVOCBHQAJC-UHFFFAOYSA-N	320.418	1.732	50	20	DDGD	
CCNC(=O)c1cccc(NC(=O)NN(C)C(=O)NCC)c1	785835773	WLZCJCCEHRNXAN-UHFFFAOYSA-N	307.354	1.134	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1cnc2ccccc2c1	784792982	OIKYXKCJIPMALM-UHFFFAOYSA-N	307.313	1.712	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNc1ccc(F)cc1OC	788184813	QTSBWAPHRDBQRN-UHFFFAOYSA-N	311.357	1.926	50	20	DDGD	
CN(NC(=O)C(=O)Nc1ccc2[nH]ncc2c1)c1ccccc1	783431174	CVJUTIVZVMZKRD-UHFFFAOYSA-N	309.329	1.669	50	20	DDGD	
NC(=O)CCCC(=O)NNc1ccc(OCC(F)(F)F)cc1	787463888	HEEFHXNJSPOJPB-UHFFFAOYSA-N	319.283	1.726	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H]2CCC=CO2)c1	780760498	VDRFLGRIVFUODJ-CYBMUJFWSA-N	305.334	1.792	50	20	DDGD	
C=C(CO)C(=O)NNC(=O)c1sc(-c2ccccc2)nc1C	791295979	AXCZPBVYXQETAN-UHFFFAOYSA-N	317.370	1.428	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H](CO)c2ccccc2)n1	793220999	TWPSVPJQWXEIDE-AWEZNQCLSA-N	314.345	1.068	50	20	DDGD	
O=C(CCc1cnccn1)NNc1ccnc(Br)c1	793833326	GRVSGZLBHXXZLC-UHFFFAOYSA-N	322.166	1.710	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2c[nH]c3ccc(F)cc23)CC1	790181896	POTOIPPUOXBLMD-UHFFFAOYSA-N	303.341	1.598	50	20	DDGD	
N#C/C(=C\c1nc2c(s1)CCCC2)S(=O)(=O)NC1CC1	794942992	GKDLEZQSIPVLNQ-JXMROGBWSA-N	309.416	1.968	50	20	DDGD	
C[C@@H]1CC[C@@H](CNC(=O)NNC(=O)COc2ccc(F)cc2)C1	793459154	NJWDQANTSBQIBE-VXGBXAGGSA-N	323.368	1.971	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNC(=O)c1cc(C)nc2ccccc12	799010657	MXVVFOBMULNBCU-QGZVFWFLSA-N	315.373	1.855	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)n1	794082812	BBHFRWGPDUEZJA-UHFFFAOYSA-N	316.273	1.079	50	20	DDGD	
COc1cc(C)cnc1C(=O)NNC(=O)NCc1ccco1	792591387	FNDSZFIMSRVBPF-UHFFFAOYSA-N	304.306	1.136	50	20	DDGD	
COc1coc(C(=O)NNc2ccc(F)c(F)c2F)cc1=O	798981483	JXWDHOKWLJJMRH-UHFFFAOYSA-N	314.219	1.823	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccc(OCC2CC2)cc1	790153692	KROQQGHFWJOAJJ-UHFFFAOYSA-N	303.362	1.450	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CCC1=O	1319602080	XZDLNGIIHQDQBB-ZJUUUORDSA-N	318.377	1.055	50	20	DDGD	
COC(=O)C(=O)NNC(=O)NC[C@@H]1C[C@@H](C)CC[C@H]1C(C)C	1318883483	ZACSPYIMVYZNSY-SRVKXCTJSA-N	313.398	1.198	50	20	DDGD	
COc1ccccc1C1(C(=O)NNC(=O)C(C)(C)O)CCC1	1321193134	CGWUZPMUHJIRDL-UHFFFAOYSA-N	306.362	1.035	50	20	DDGD	
C[C@H](C[S@@](C)=O)NC(=O)NNc1ccc(C(C)(C)C)nn1	1320334328	RHZWEKJZPQEVOX-AOUSDQRYSA-N	313.427	1.167	50	20	DDGD	
CC(C)NC(=O)Nc1cccc(C(=O)NNc2ccn(C)n2)c1	1324865123	YQXQLMVYQGUGOJ-UHFFFAOYSA-N	316.365	1.707	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cnn1C1CCCC1	1326674706	GCNCODKICAURGB-DGCLKSJQSA-N	320.393	1.493	50	20	DDGD	
CC1(C)CC(=NNC(=O)c2cccnn2)c2cc(O)ccc2O1	1336994152	ARYLJZWKEIGCKT-UHFFFAOYSA-N	312.329	1.877	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCOC(C)(C)C1	1336484994	MKQIPYQZPPJTKM-NSHDSACASA-N	316.398	1.128	50	20	DDGD	
C=CCCN(C)C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1331100891	FZHVHYTYOKWJRY-CABZTGNLSA-N	303.200	1.311	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1F)[C@@H]1OC[C@@H]2COCC[C@@H]21	1337199573	XVQAJEMVIDHCDS-UVPNAGLESA-N	316.279	1.599	50	20	DDGD	
CCCCOc1ccc(C=NNC(=O)C(=O)OC)cc1OC	1330775554	YDUYUFOKVHWMNH-UHFFFAOYSA-N	308.334	1.497	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2C[C@H](OC)C2(C)C)cc1	1331680757	NHCZSCJTGHSSPS-STQMWFEESA-N	321.377	1.453	50	20	DDGD	
C[C@H]1[C@H](c2ccccc2)CCN1C(=O)NNC(=O)c1cn[nH]c1	1331537260	RAGPHDXBCVZZDD-SMDDNHRTSA-N	313.361	1.642	50	20	DDGD	
O=C(CO[C@H]1CCOC1)NNc1ccnc(Br)c1	1342839759	JQPIZFUFUIDPAQ-VIFPVBQESA-N	316.155	1.093	50	20	DDGD	
CO/C(=C\c1ccccc1)C(=O)NNC(=O)[C@H]1CCCCO1	1344402970	CPHSZIQWWYYSEY-KECPUOCWSA-N	304.346	1.390	50	20	DDGD	
CCOCCN1CCN(C(=O)C2CCC(Cl)CC2)CC1	1345931529	JDNZLAAAJRLKAC-UHFFFAOYSA-N	302.846	1.965	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CC23CCSCC3)cc1	1344047678	PVXMJSNEWUVEPY-CYBMUJFWSA-N	320.414	1.990	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)/C=C\c1nccs1	1516533790	NAPUOQFWBQDIPL-SREVYHEPSA-N	317.370	1.555	50	20	DDGD	
Cc1cc(C(=O)NNc2nccnc2C(C)C)oc1C(=O)O	1600096039	AGJKQHMAGGLFHM-UHFFFAOYSA-N	304.306	1.957	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)c1ncoc1[C@@H]1CCCO1	1608948523	HHLXUKQVPNRAIW-NSHDSACASA-N	317.301	1.981	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(-c3nn[nH]n3)ccn2)cc1	1605300989	BCHOEYFMPLOKDF-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
Cn1nc2c(c1C(=O)NNc1cccc(C(=O)O)c1)CCCC2	1601017749	JATBNTAZSAYPCZ-UHFFFAOYSA-N	314.345	1.754	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCC(=O)Nc1ccsc1C(=O)O	1608170346	WXVVDBIMSQSHSK-UITAMQMPSA-N	320.326	1.788	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@H]1CNCCNc1ccc(-c2nn[nH]n2)cn1	1603834435	KESWQJXXDMRTAS-PEXQALLHSA-N	307.789	1.137	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NN=C1CC(CC(=O)O)C1	1609804456	OIWKFVXVWKLHEZ-YHMJZVADSA-N	308.309	1.950	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@@H]2CCC[C@@]2(CN)C1	1549131524	CGRMCKNHSNASDK-XJKSGUPXSA-N	324.856	1.940	50	20	DDGD	
COCC(=NNC(=O)[C@@H]1CCCO[C@@H]1c1nccn1C)C1CC1	1549311839	UDWFLBZHTUDJEG-OCCSQVGLSA-N	320.393	1.416	50	20	DDGD	
O=C(NN=Cc1ccnc2ccccc12)[C@H]1CN2CCC[C@H]2CO1	1549315022	ALWBULGSYIUELT-WMLDXEAASA-N	324.384	1.548	50	20	DDGD	
COC1(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)CCCCC1	1549320058	KIMXGRFOAQTHMS-KBPBESRZSA-N	309.410	1.301	50	20	DDGD	
O=C(NN=C1CCC[C@H](C(F)F)C1)[C@@H]1CN2CCC[C@H]2CO1	1549321346	RSJDLBIBKNVNER-DRZSPHRISA-N	315.364	1.777	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@@H]2C=NNC(=O)c2ccon2)cn1	1553288368	ZFHZWYGCZLHGFV-ZWNOBZJWSA-N	303.322	1.384	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@@H]1C=NNC(=O)c1c[nH]nc1C	1552761400	UQYYFXCWOYMOAX-YPMHNXCESA-N	316.365	1.428	50	20	DDGD	
CSc1ccc(CCCC(=O)NNC(=O)[C@@H]2CCN2)cc1	1579388545	XMPNPXUJCOAPCO-ZDUSSCGKSA-N	307.419	1.241	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@@H](N)CC2CC2)c1	1578420832	XLNJCAUGMXLETN-ZDUSSCGKSA-N	305.382	1.351	50	20	DDGD	
C=CC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)C1CCNCC1	1574900056	NZSSIDPQVVSBNB-GXTWGEPZSA-N	308.426	1.451	50	20	DDGD	
CC[C@H](C)C[C@@H](N)C(=O)NNC(=O)COc1ccc(F)cc1	1576983486	QPNCXYXJIBVYAC-GXFFZTMASA-N	311.357	1.115	50	20	DDGD	
N[C@@H](C(=O)NNc1ncccn1)c1ccc(Br)cc1	1580114990	IJNHKASMGYLYOY-SNVBAGLBSA-N	322.166	1.382	50	20	DDGD	
NCC1([C@@H]2CCCCN2S(=O)(=O)CCCCl)CCC1	1580240278	VVBVZIJGBFAPME-LBPRGKRZSA-N	308.875	1.929	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(F)n1)[C@@H]1C[C@H](C(=O)O)C1(C)C	1589108499	BUVYKEAQKMBVPX-LPEHRKFASA-N	324.356	1.982	50	20	DDGD	
CC(C)(C(=O)NNc1ccncn1)c1ccc(-c2nn[nH]n2)cc1	1589054470	IDJGYIXATRKGQF-UHFFFAOYSA-N	324.348	1.078	50	20	DDGD	
C[C@](Cl)(CCl)C(=O)N1CCCC12CN(C(=O)C1CC1)C2	1845173375	KRRUDZPCLJYNMO-ZDUSSCGKSA-N	319.232	1.836	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@H]1F	1847868394	ARYPIZAOAYASKJ-QWQWKMKNSA-N	316.804	1.954	50	20	DDGD	
C[C@H]1CCN(S(=O)(=O)CC(C)(C)CCl)[C@@H](C(=O)O)C1	1594426109	AQORXQTZYIGSOS-VHSXEESVSA-N	311.831	1.766	50	20	DDGD	
COc1ccc(NCC(=O)NN=Cc2cc(C(=O)O)co2)cc1	1599597223	JJQSDCFGLHOUKD-UHFFFAOYSA-N	317.301	1.549	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNc1cccc(-c2nn[nH]n2)c1	1590861420	HJHFAIXNCVYAJM-NEPJUHHUSA-N	317.353	1.060	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1csc(-c2nn[nH]n2)c1	1593166531	CVXCLRVZAQQBML-UHFFFAOYSA-N	321.753	1.155	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C(=O)O)c1cc(Cl)ccc1Cl	1599894004	JEWNCMVOIYJOHS-YFKPBYRVSA-N	320.132	1.469	50	20	DDGD	
CCNc1cccnc1C(=O)NNc1ncccc1C(=O)O	1590037774	VJLCMXNGORHDQT-UHFFFAOYSA-N	301.306	1.364	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=C1CC[C@@H](C(=O)O)C1	1593621888	YWTJMCGMZARJIV-VHSXEESVSA-N	308.309	1.950	50	20	DDGD	
Cc1cnc2cc(C(=O)NNc3ncccc3C(=O)O)ccn12	1594432135	MIYGTGDIEZKADS-UHFFFAOYSA-N	311.301	1.493	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)C(F)(F)c1nccs1	1595261701	GXEQYRAQNRZQLB-UHFFFAOYSA-N	314.273	1.471	50	20	DDGD	
COCC(=O)NN=Cc1sc(Br)cc1C(=O)O	1776048661	PFFQSYZMFAFQQL-UHFFFAOYSA-N	321.152	1.305	50	20	DDGD	
O=C(O)/C=C\c1ccc(C=NNC(=O)c2ccc(O)cc2)o1	1776012531	HKCLVBOLYYPYKO-SQFLZHMZSA-N	300.270	1.847	50	20	DDGD	
COc1cccc(C(=O)NN=Cc2cc(C)c(C(=O)O)[nH]2)c1	1776110310	XBLCWFGLHJZBBU-UHFFFAOYSA-N	301.302	1.794	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)NCc2ccco2)c1C	151339131	GYTLONHJUMILLJ-UHFFFAOYSA-N	319.365	1.729	50	20	DDGD	
COc1c(F)ccc(F)c1C(=O)NNC(=O)c1cc(C)n[nH]1	151168720	CXTDPWQCBGSHMG-UHFFFAOYSA-N	310.260	1.080	50	20	DDGD	
Cc1cc(C(=O)NNc2ccccc2F)ccc1S(N)(=O)=O	153129599	ZUNNRFIIQOLUSS-UHFFFAOYSA-N	323.349	1.538	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)cn1	156426536	SXJHLSKDOKOWFJ-QWRGUYRKSA-N	320.299	1.263	50	20	DDGD	
O=C(NNc1ncccn1)N[C@@H]1CCOC2(CCCCC2)C1	157447442	LKABPTVWFCTVIM-GFCCVEGCSA-N	305.382	1.985	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ncn(-c3ccccc3)n2)o1	159166303	VNPIFTBXJGZXGK-UHFFFAOYSA-N	311.301	1.244	50	20	DDGD	
COc1cn(-c2ccccc2)nc1C(=O)NNC(=O)NC(C)C	63269961	RFGSPNRFALHURM-UHFFFAOYSA-N	317.349	1.233	50	20	DDGD	
CCc1ccc(S(=O)(=O)NNC(=O)c2ccccn2)cc1	8104798	VFNQWSHGNPSXEL-UHFFFAOYSA-N	305.359	1.267	50	20	DDGD	
CC(C)NC(=O)CCCC(=O)NNC(=O)c1ccc(C#N)cc1	104873434	UGIMUIJBIXUZOU-UHFFFAOYSA-N	316.361	1.014	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)CCOc1ccccc1C	109827277	KQLJXVNVSXIEIU-CYBMUJFWSA-N	307.394	1.252	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)CC(C)(C)C)c(C)c1	103060254	IILRLRXJZXEUFP-UHFFFAOYSA-N	314.407	1.749	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)NCCc1cccs1)N(C)C	110664335	FCQRVIDZEMQSTP-GFCCVEGCSA-N	312.439	1.207	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC1CCCCC1)N1CCCC1=O	173615741	XRCXHPQLBXQHRT-GFCCVEGCSA-N	310.398	1.051	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)c1ccccc1O	60622443	JHJQSBPGRWYBKQ-UHFFFAOYSA-N	300.314	1.622	50	20	DDGD	
CCc1ccc(OCC(=O)NNc2nc(C)cc(OC)n2)cc1	174500845	GZFWKUCWQZQIOF-UHFFFAOYSA-N	316.361	1.878	50	20	DDGD	
C[C@H](CN1CCCC1=O)NC(=O)NNc1ccccc1Cl	57016857	GSVBOHOQSBKXFI-SNVBAGLBSA-N	310.785	1.977	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc3[nH]cnc3c2)cc1	61633506	OOJKOASZHDYVOL-UHFFFAOYSA-N	305.297	1.509	50	20	DDGD	
C[C@H](NC(=O)c1ccoc1)C(=O)NNc1ncccc1Cl	114884179	KDQINRNRPGTQCE-QMMMGPOBSA-N	308.725	1.590	50	20	DDGD	
O=C(Cn1cccn1)NNc1nc(-c2ccc(Cl)cc2)no1	112693069	FXGAUNKYYVBALH-UHFFFAOYSA-N	318.724	1.730	50	20	DDGD	
C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2cccc(B(O)O)c2)o1	405022236	XRUKIDDTPXDGEN-IAQYHMDHSA-N	313.162	1.654	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccc2[nH]c(=O)[nH]c2c1	178866878	VSZJRXWMAJZLOG-UHFFFAOYSA-N	313.273	1.521	50	20	DDGD	
Cc1nc(C)c(S(=O)(=O)NNC(=O)c2ccccc2)s1	39320938	VPVBLKGOFDZKNH-UHFFFAOYSA-N	311.388	1.383	50	20	DDGD	
N#CCOc1ccc(CC(=O)NNc2ccnc(F)c2)cc1	182428552	NABKCZOFWWOQGQ-UHFFFAOYSA-N	300.293	1.809	50	20	DDGD	
C[C@@H](Oc1ccccc1)C(=O)NNC(=O)CNc1ccccc1	78400099	KVSKWQHVFOMWGB-CYBMUJFWSA-N	313.357	1.713	50	20	DDGD	
Cc1ccc(NC=C(C#N)C#N)cc1N1CCCS1(=O)=O	76935436	WQYNEABWLQTNOG-UHFFFAOYSA-N	302.359	1.878	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccnn1)[C@H]1CCCN(C2CCC2)C1	182956178	GUECJZHHDPZGPJ-OLZOCXBDSA-N	318.425	1.756	50	20	DDGD	
O=C(NNC(=O)c1cccnc1C(F)(F)F)c1ccncc1	187478122	TUHRQJUBZFMBBP-UHFFFAOYSA-N	310.235	1.570	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cc(C)c(F)c(C)c1	78237627	IEXCTYFQJIUTCE-MRVPVSSYSA-N	302.371	1.798	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc3ncccc3c2)n1	121259377	HIYYQEZTHNQRTO-UHFFFAOYSA-N	323.356	1.509	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NNc2ccc3ccccc3n2)C1	181098715	CZNDXNNMGTYXAS-AWEZNQCLSA-N	312.373	1.936	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)c1ccc(C#N)cc1)C(C)C	74930816	QIRDTIWQAOXNMX-CYBMUJFWSA-N	304.350	1.173	50	20	DDGD	
C[C@H](NC(=O)CC(C)(C)C)C(=O)NNc1ccc(Cl)nn1	188284559	HVLHVHHWMGQWMC-QMMMGPOBSA-N	313.789	1.514	50	20	DDGD	
CC(C)CN1N=C(C(=O)NNc2ccncc2Cl)CCC1=O	135875080	KQSCGDUQCFMPJP-UHFFFAOYSA-N	323.784	1.813	50	20	DDGD	
CCO[C@H](C(=O)NNc1nccc(OC)n1)c1ccccc1	194327439	KRXLMVLWQSNONR-ZDUSSCGKSA-N	302.334	1.706	50	20	DDGD	
COc1ccccc1C(=O)NNc1nc2ccccc2c(=O)[nH]1	137178258	OGDOCHZPQAWMKZ-UHFFFAOYSA-N	310.313	1.689	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)c(=O)[nH]1	193888139	CYSKFDNZQOHYBD-UHFFFAOYSA-N	305.721	1.412	50	20	DDGD	
CC(C)c1ncc(Cl)c(C(=O)NNC(=O)c2ccncc2)n1	194784318	OLYVEVQDVMHELX-UHFFFAOYSA-N	319.752	1.723	50	20	DDGD	
CCCc1cnc(NC(=O)C(=O)NNc2cc(C)ccn2)s1	190810456	RLTACPFNTMYYOR-UHFFFAOYSA-N	319.390	1.881	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2cc(F)cc(F)c2)o1	84461263	XPGCTFSHPDRWDQ-UHFFFAOYSA-N	316.285	1.490	50	20	DDGD	
N#CCc1cccc(C(=O)NNC(=O)c2ccc(C#N)cc2)c1	142387371	GDBFUSPLDDXLFK-UHFFFAOYSA-N	304.309	1.699	50	20	DDGD	
COC(=O)NNC(=O)CCn1c(=O)oc2cc(Cl)ccc21	192092628	HSDGWOKFTWDQSE-UHFFFAOYSA-N	313.697	1.025	50	20	DDGD	
Cc1nc(NC(=O)C(=O)NNc2ccccc2F)sc1C	193295222	QHXIMICRMUYVNS-UHFFFAOYSA-N	308.338	1.981	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@@H]1COc2ccc(F)cc2C1	90090961	PCDBRBJZCFUWRK-NSHDSACASA-N	317.320	1.177	50	20	DDGD	
C[C@H]1CCCN(C[C@@H](C)NC(=O)NNC(=O)c2ccc[nH]2)C1	98030241	BIQRNZBRMZQDGP-NWDGAFQWSA-N	307.398	1.079	50	20	DDGD	
C[C@@H]1CN(CCC(=O)NNC(=O)C[C@@H]2C=CCCC2)C[C@@H](C)O1	249492574	FTDPTHWSUPWMKJ-RBSFLKMASA-N	323.437	1.380	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNc2cnccn2)cc1OC	255206007	OUEAQVMLTFCTLF-XQRVVYSFSA-N	300.318	1.650	50	20	DDGD	
O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)NNC(=O)C1CCC1	264819462	WZTDVTKBQVHLMP-UHFFFAOYSA-N	316.361	1.126	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)Cc1ccncc1	266997068	YBNFCWLTPJSXNA-KGLIPLIRSA-N	304.394	1.923	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCc1ccccc1[N+](=O)[O-]	266445688	AATXAFPSSHVRTB-UHFFFAOYSA-N	308.338	1.514	50	20	DDGD	
COCCC1(C(=O)NNC(=O)COc2ccc(F)cc2)CCC1	268462277	VAFBUTFCSLENOZ-UHFFFAOYSA-N	324.352	1.559	50	20	DDGD	
CC(C)(C)OC(=O)NCC(C)(C)C(=O)NNc1cccnn1	268221794	JPGBVQJKUIQJOT-UHFFFAOYSA-N	309.370	1.471	50	20	DDGD	
CCCNC(=O)c1ccc(NC(=O)NNC(=O)C2CCC2)cc1	272845445	PLFJXRKPRNRQOF-UHFFFAOYSA-N	318.377	1.779	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)CC(C)(C)OC	278890814	XJAMPJFWJILXFN-UHFFFAOYSA-N	308.378	1.590	50	20	DDGD	
Cc1cccnc1NNC(=O)NC[C@H]1COC2(CCCC2)O1	276704532	OFDJDQUUHAPOKC-LBPRGKRZSA-N	306.366	1.702	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2CCC(=O)[C@@H](C)C2(C)C)n1	275806870	QBIMREJCMBEQQN-MNOVXSKESA-N	320.393	1.878	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1ccc(C(C)=O)cc1	272356636	PNGLAMMVKURCQP-LLVKDONJSA-N	323.349	1.093	50	20	DDGD	
Cc1c(NNC(=O)N[C@H](C)c2ncnn2C)cccc1[N+](=O)[O-]	276864380	ISWCYXYLEPIHOB-SECBINFHSA-N	319.325	1.419	50	20	DDGD	
C=C(C)[C@H](CC(=O)NNC(=O)C(C)(OCC)OCC)OCC	287653527	AOGWDZPMUCAVDU-LBPRGKRZSA-N	316.398	1.294	50	20	DDGD	
CS[C@@H](C(=O)NNC(=O)NCC(F)(F)F)c1ccccc1	281386461	XOIIBSCISVKDQA-SECBINFHSA-N	321.324	1.983	50	20	DDGD	
C[S@](=O)C1(CNC(=O)NNc2c(F)cccc2F)CCC1	280800206	PZBUSCASEKEDNO-NRFANRHFSA-N	317.361	1.892	50	20	DDGD	
CCOc1ccc(OCCCC(=O)NN(C)C(=O)OC)cc1	286380956	OCYLHVWWBPURSZ-UHFFFAOYSA-N	310.350	1.974	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)CC(C)(C)C2CCCCC2)CC1	807382068	WANOGQPJFMDFNJ-UHFFFAOYSA-N	324.469	1.971	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2nc(C)oc2C)c(C)c1	295401400	MGJCFVDNVPODFW-UHFFFAOYSA-N	316.361	1.781	50	20	DDGD	
CN(NC(=O)c1cc(Cn2cccn2)on1)C(=O)OC(C)(C)C	297380177	VPFAYFUUMCLLTG-UHFFFAOYSA-N	321.337	1.431	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNC(=O)[C@H]2CCCCO2)cc1	295667261	WNMPUIQGFPBHRW-IUODEOHRSA-N	320.389	1.590	50	20	DDGD	
CC[C@@H](NS(=O)(=O)c1ccc(CCCCl)cc1)C(N)=O	292138342	OLDKWYKBDYUPOY-GFCCVEGCSA-N	318.826	1.400	50	20	DDGD	
O=C(CCN1CCCC1=O)NNC(=O)Nc1ccc(Cl)cc1	802020007	DQMMXNZOIHWXKF-UHFFFAOYSA-N	324.768	1.505	50	20	DDGD	
C[C@@](O)(CCNC(=O)NNc1ncncc1F)c1ccccc1	292587327	BDRSVBZSOZFUAR-OAHLLOKOSA-N	319.340	1.540	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)cc1F)NNc1ncccc1F	804217845	JIWHQDGXRLIXMI-UHFFFAOYSA-N	324.262	1.372	50	20	DDGD	
CCNC(=O)C(C)(C)CNC(=O)NNc1ccc(OCC)cc1	297446671	VBNIOYNVBSVBTR-UHFFFAOYSA-N	322.409	1.874	50	20	DDGD	
CC(C)(C)[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ncoc1C1CC1	294897023	MDUVGKPFMCNPEK-GWCFXTLKSA-N	321.377	1.764	50	20	DDGD	
Cc1nc2ccc(NC(=O)NNc3ncncc3Cl)cn2n1	809894782	JFHAHEHTTJCHSG-UHFFFAOYSA-N	318.728	1.630	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNC(=O)CCc1ccccc1	808334486	GKBQMQBIHUCUQM-LBPRGKRZSA-N	306.362	1.356	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)[C@H]1CCCCO1)Oc1ccccc1	296435606	NXKALFRTUJRKCC-TZMCWYRMSA-N	321.377	1.353	50	20	DDGD	
Cn1ccnc1CNC(=O)NNc1cc(C(F)(F)F)ccn1	296478733	QUBMSEMKHLCQED-UHFFFAOYSA-N	314.271	1.660	50	20	DDGD	
CCCc1nc(C)c(CNC(=O)NNC(=O)c2ccc[nH]2)o1	292315165	WHTREPPLTWTLDA-UHFFFAOYSA-N	305.338	1.408	50	20	DDGD	
Cn1cncc1CC(=O)NNC(=O)Cc1ccc2ccccc2c1	806490921	AFQKGMUXROZIPM-UHFFFAOYSA-N	322.368	1.506	50	20	DDGD	
O=C(NNC(=O)c1cccc(CO)c1)Nc1cc(F)cc(F)c1	813573247	AERUYGDMLGYAHM-UHFFFAOYSA-N	321.283	1.924	50	20	DDGD	
Cn1c(NNC(=O)[C@H]2CCCSC2)nc2ccccc2c1=O	810399886	YRHAGPKVKSUHNZ-JTQLQIEISA-N	318.402	1.520	50	20	DDGD	
O=C(O)c1ccc2c(c1)CCCC2=NNC(=O)[C@H]1CCOC1	814915144	VIOUWYVPFRSXBZ-LBPRGKRZSA-N	302.330	1.578	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)c1cc([N+](=O)[O-])ccc1O	811643175	WIZJGVMDOBFTLW-VIFPVBQESA-N	320.305	1.075	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccc(Br)o1	814778022	MWICYNATOIRLGK-UHFFFAOYSA-N	302.128	1.017	50	20	DDGD	
CCC[C@@H]1C[C@H]1C(=O)NNC(=O)c1cncc(NC(C)=O)c1	812536462	CUMITNPDFGDIPZ-ZWNOBZJWSA-N	304.350	1.237	50	20	DDGD	
CC(C)CC(=O)N[C@@H](C(=O)NN(C)[C@H](C)CO)c1ccccc1	823960005	UBPWEGKBKAOOLM-CZUORRHYSA-N	321.421	1.234	50	20	DDGD	
O=C1C[C@@H](c2ccccc2)N(S(=O)(=O)CCl)CCN1	820787220	LUVUEZISSXEOCA-NSHDSACASA-N	302.783	1.076	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)COc1c(Cl)cccc1Cl	823988770	WMXKZECZPYPNQV-QMMMGPOBSA-N	307.177	1.716	50	20	DDGD	
CC(C)C(=O)NNC(=S)Nc1ccc2c(c1)OCCCO2	727270607	JMVWMCXKGLTSKP-UHFFFAOYSA-N	309.391	1.822	50	20	DDGD	
COc1ccnc(NNC(=O)NCCc2ccc(C)c(C)c2)n1	821754916	WWZFJLGHPIEIGH-UHFFFAOYSA-N	315.377	1.971	50	20	DDGD	
COc1cc(C)nc(NNC(=O)/C=C\c2scnc2C)n1	492663438	PEEVJOWGFMHNMF-PLNGDYQASA-N	305.363	1.715	50	20	DDGD	
COC(=O)COc1ccc(C(=O)NNC(=O)OC(C)(C)C)cc1	490753335	FOVSRZAHIKRDFX-UHFFFAOYSA-N	324.333	1.408	50	20	DDGD	
CC(C)[C@H](NC(=O)O)C(=O)NNc1nc(O)c2ccccc2n1	824135383	FHJTUDUBYJJZJE-JTQLQIEISA-N	319.321	1.071	50	20	DDGD	
N#CCn1c(C(=O)NNC(=O)c2ccccn2)cc2ccccc21	729296240	ONCTUVMXJHEDNN-UHFFFAOYSA-N	319.324	1.635	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1	823869779	POPCIWZHOHYNSV-UHFFFAOYSA-N	308.378	1.601	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C[C@@H]2CC[C@H]3C[C@H]23)cc1OC	822188698	JFQWDAJMFSBLBL-GVXVVHGQSA-N	318.373	1.901	50	20	DDGD	
O=C(CN1CCCC1)NNC(=O)NCc1ccc(Cl)cc1	822330443	UZZZNFCQIRLQCV-UHFFFAOYSA-N	310.785	1.266	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@H](C(=O)OC(C)(C)C)C1CCCC1	824632456	KWQPXDKBWYZFTK-LLVKDONJSA-N	313.398	1.437	50	20	DDGD	
C[C@@]1(C(=O)NCC2CCN(CC#N)CC2)C[C@H]1Br	906797972	MSZBFKFUSAVASH-DGCLKSJQSA-N	314.227	1.512	50	20	DDGD	
O=C(CC1(O)CCCCC1)NNc1cccc(-c2nn[nH]n2)c1	826404290	VBGRQESVIVLDOS-UHFFFAOYSA-N	316.365	1.395	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	730210159	LMSFDSCTZFZYLB-SNVBAGLBSA-N	321.352	1.372	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@H]1C[C@H]2C=C[C@H]1CC2	826984698	OFCXCHNYLXPRIP-YHQUGGNUSA-N	307.394	1.344	50	20	DDGD	
C#C[C@H](CC)NC(=O)NNC(=O)c1cc(Br)c[nH]1	491748245	XVFKWNUOBLEYAU-MRVPVSSYSA-N	313.155	1.133	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CC[C@H]2O)c1C	491013798	VIPALPGZTVKGDV-BNSCMJDNSA-N	317.389	1.298	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CSC[C@H](C)C(=O)O	832977308	IFWWDEOWOKGMPP-NSHDSACASA-N	324.402	1.139	50	20	DDGD	
C[C@@]1(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1Br	907064444	JCMMATGIOKHBPQ-PSASIEDQSA-N	317.143	1.081	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc2cccnc2[nH]1	839733921	MGZCHJGJCNMDHV-UHFFFAOYSA-N	320.349	1.113	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)CCc1ccccc1)c1ccn(C)n1	838774941	ZSZQCNJJHOHLDI-LBPRGKRZSA-N	315.377	1.444	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2nn(C)cc2C)c(C)c1	839482676	JJCDRTPAIKAREE-UHFFFAOYSA-N	315.377	1.218	50	20	DDGD	
CC[C@@H](NC(=O)NN[C@]1(C)CCS(=O)(=O)C1)C1CCCC1	838703432	IYBKJOUFPFQLNQ-TZMCWYRMSA-N	317.455	1.336	50	20	DDGD	
CCOc1ccc(C(C)=NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1	730576695	UTMHNXCVXZPRRO-ZDUSSCGKSA-N	324.402	1.360	50	20	DDGD	
CC[C@@H](C)n1nc(NC(=O)NNC(=O)[C@@H]2CCCCO2)cc1C	836495959	VBFXAUGELUEZFU-PWSUYJOCSA-N	323.397	1.884	50	20	DDGD	
COc1ccc(CCC(=O)NN=Cc2ccc(CO)o2)cc1	739410949	AAOXBJXIWYNMKC-UHFFFAOYSA-N	302.330	1.863	50	20	DDGD	
C[C@H](CCCc1cccnc1)NCc1ccc(B(O)O)cc1F	585045938	KAWOEKJXRHOLHO-CYBMUJFWSA-N	316.185	1.402	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1cc(Cl)ccc1C	901965283	ACGCUUWFGMHIBI-UHFFFAOYSA-N	314.794	1.761	50	20	DDGD	
CO[C@@H]1CC(=NNC(=O)COc2ccc(C#N)cc2)C12CCC2	834921916	JWXPWWNVSGEVPR-OAHLLOKOSA-N	313.357	1.998	50	20	DDGD	
CCSCC[C@H](C)NC(=O)NNC(=O)N=c1cc[nH]cc1	836333520	GJOGGQLHTJDBNK-JTQLQIEISA-N	311.411	1.371	50	20	DDGD	
O=C(NNc1ccccc1)c1c[nH]n2c1nc(=O)c1ccccc12	732265711	YTWOGGPWIKDGEN-UHFFFAOYSA-N	319.324	1.933	50	20	DDGD	
O=C(COC(=O)/C=C\C1CCCC1)NNC(=O)c1cccs1	830799871	ZHOBUKFZSIEBTF-FPLPWBNLSA-N	322.386	1.799	50	20	DDGD	
CON1CCC(=NNC(=O)[C@H](C)Oc2ccc(F)cc2)CC1	834928428	MPOMCBUWYXPTQK-NSHDSACASA-N	309.341	1.722	50	20	DDGD	
CCON1CCC(CC(=O)NNc2nc3ccccn3n2)CC1	834350713	FRDLUUFLGNKKKD-UHFFFAOYSA-N	318.381	1.226	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)COc1ccccc1O)C(F)F	836510388	CMDLTJCUXSLERO-QMMMGPOBSA-N	317.292	1.145	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCC[C@H](CC(F)(F)F)C1	585000921	QSKRRARSDDOHOL-SNVBAGLBSA-N	315.100	1.171	50	20	DDGD	
CC(C)C[C@@H]1OCCC[C@@H]1NCc1ccc(B(O)O)cc1F	585037289	XXRGOBUCPUULEQ-HOTGVXAUSA-N	309.190	1.189	50	20	DDGD	
Cc1cc(Br)c(C(=O)NN(C)C[C@H](C)O)s1	910148656	FAEMFLKULANHIE-LURJTMIESA-N	307.213	1.776	50	20	DDGD	
C#CCOc1ccccc1C=NNC(=O)c1ccnc(N(C)C)c1	731561925	DDHDCTUCWGDETP-UHFFFAOYSA-N	322.368	1.924	50	20	DDGD	
C[C@H](Cc1cccc(O)c1)NC(=O)NNC(=O)c1ccc[nH]1	919783061	CXUKOMNPRBXFQB-SNVBAGLBSA-N	302.334	1.296	50	20	DDGD	
CC[C@@H](CC1CCCC1)C(=O)NNC(=O)CN1CCCC1=O	913730725	GQCRBSRSKMYKTN-ZDUSSCGKSA-N	309.410	1.363	50	20	DDGD	
CSSCCNC(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O	836448927	ZKJNYAWUDORYNH-VHSXEESVSA-N	303.453	1.450	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2	918584250	ACFXNKYCQVPJJB-UHFFFAOYSA-N	309.278	1.131	50	20	DDGD	
CC[C@H](Oc1ccccc1C)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843656520	YKZURZVHXHQXDC-MJBXVCDLSA-N	320.389	1.725	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccc(C(C)C)cc2)nn1	841438651	CDXZHIHOGXDIOE-UHFFFAOYSA-N	303.366	1.805	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC2=CCNCC2)c1F	841973287	ORZUKLKOEDBUCP-UHFFFAOYSA-N	322.340	1.158	50	20	DDGD	
CC(=O)c1cc(C(=O)NNc2nc[nH]n2)ccc1OC(C)C	848974434	IUEWJTJHPSXBPK-UHFFFAOYSA-N	303.322	1.551	50	20	DDGD	
CCCOc1ccc(CC(=O)NNC(C)=O)cc1OCCC	746820275	CTSMLNMHCSUNQO-UHFFFAOYSA-N	308.378	1.974	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1cccc2c1OC(F)(F)O2	842548795	CDPBODSDQWRHTJ-PSASIEDQSA-N	312.272	1.883	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccccc2O)cc(O)c1O	916269954	HJYOSOZHFFMWNU-UHFFFAOYSA-N	302.286	1.576	50	20	DDGD	
CSc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc[nH]2)cc1	740814528	YBYNIORAZDFYKV-SNVBAGLBSA-N	319.386	1.965	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CS[C@@H](C)C2)c1	840421783	ZOCGIEKYFPHFGT-CABZTGNLSA-N	309.391	1.993	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@](O)(CN2CC=C(C#N)CC2)C1	846840988	MDOPWDJMOXYYDS-KRWDZBQOSA-N	321.421	1.904	50	20	DDGD	
CC1(C)C[C@@H]1NC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	840408878	UTEAWZJUQQCYEM-NSHDSACASA-N	306.322	1.550	50	20	DDGD	
CCCCc1ccc(C(=O)NNc2nccn(C)c2=O)cc1	747937689	KGQNAUGTERVUHQ-UHFFFAOYSA-N	300.362	1.880	50	20	DDGD	
CO[C@]1(C=NNC(=O)[C@H](C)Oc2ccc(F)cc2)CCOC1	841610371	HNCJFEAYPHYNRO-NHYWBVRUSA-N	310.325	1.501	50	20	DDGD	
COC(=O)[C@H](NNC(=O)[C@H]1CCO[C@@H]1C)c1ccc(F)cc1	843288751	GOSRAWOLVUXSRK-JIMOISOXSA-N	310.325	1.086	50	20	DDGD	
CC(C)OC(=O)CCNC(=O)NNc1cncc(Cl)n1	916219922	PNCSXBLWGVAQSM-UHFFFAOYSA-N	301.734	1.098	50	20	DDGD	
Cc1nc(N2CCOCC2)sc1C(=O)NN=C1CO[C@@H](C)C1	842520919	UYJZMLTVORWPBI-VIFPVBQESA-N	324.406	1.183	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccccc2O)cn1	918540743	ASSJNMMLZNGPCM-UHFFFAOYSA-N	302.290	1.262	50	20	DDGD	
COc1ccccc1C=NNC(=O)c1ccc(-n2cnnn2)cc1	916350085	ROQZSDJGGKPKMJ-UHFFFAOYSA-N	322.328	1.435	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNc1ccc(CC(=O)OC)cc1	846375807	KRUOPJXMQSUXBV-VXGBXAGGSA-N	308.378	1.764	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCc1nc(O)cc(O)n1	912472735	CHTJNPLLPZZWPU-SECBINFHSA-N	318.171	1.314	50	20	DDGD	
C[C@H](CN1CCCCCC1)C(=O)NNC(=S)NCC1CC1	849253563	PPLOBRABKIKTKA-GFCCVEGCSA-N	312.483	1.404	50	20	DDGD	
O=C(NCc1ccco1)NN=Cc1ccc([N+](=O)[O-])c(O)c1	748132836	FOYMXUGOAIXVFD-UHFFFAOYSA-N	304.262	1.727	50	20	DDGD	
COCC[C@H](C)CNC(=O)NNC(=O)c1ccc(Cl)cc1	840402444	JDPPMJHDRYFFSA-JTQLQIEISA-N	313.785	1.957	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)Cc1ccncc1)[C@@H]1CC1(C)C	841594025	PLGYXEPFTGJJHL-STQMWFEESA-N	304.394	1.779	50	20	DDGD	
C[C@H]1COC[C@H]1NC(=O)NNC(=O)c1nc2ccccc2s1	926032180	OKMQTXFTGRFVAW-WCBMZHEXSA-N	320.374	1.275	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cccnc1N1CCCC1	920859130	PWQWCWGJVCCIIR-UHFFFAOYSA-N	303.366	1.036	50	20	DDGD	
CO[C@@]1(C)C[C@H]1NC(=O)NNC(=O)c1cn(C)c2ccccc12	851917379	BHEPNXZMYWWSNL-CJNGLKHVSA-N	316.361	1.300	50	20	DDGD	
C[C@]1(CNC(=O)C2(C(=O)NC3CC3)CC2)C[C@H]1Br	857399848	GMRDDRMGAKGRDZ-BXKDBHETSA-N	315.211	1.335	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc(C2OCCO2)cc1	854682657	DKTNGTOQQKQJKM-CYBMUJFWSA-N	320.345	1.062	50	20	DDGD	
Cc1ncc(CO)c(C=NNC(=O)NCc2ccco2)c1O	920828914	HZIWLEMXMBEYNI-UHFFFAOYSA-N	304.306	1.014	50	20	DDGD	
COc1nc(C)ccc1C(=O)NNC(=S)N[C@@H](C)C1CC1	855098660	KEJYPGVVQVJVPG-VIFPVBQESA-N	308.407	1.306	50	20	DDGD	
Cn1c(C(=O)OC[C@@H](CBr)C2CC2)cccc1=O	859609502	ARBBABPRMIGKAD-SNVBAGLBSA-N	314.179	1.963	50	20	DDGD	
C[C@]1(CNC(=O)N(CCO)CC2CC2)C[C@@H]1Br	856952395	BUBLBFAEYUXLNW-CMPLNLGQSA-N	305.216	1.574	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCO[C@@H](c2ccco2)C1	753846978	LJBDWLMUNJSDOU-TZMCWYRMSA-N	323.393	1.235	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@H](C)[C@H]1CCO	852458313	FBPQHHOLKSBGEC-MELADBBJSA-N	313.442	1.051	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)C2CCSCC2)C[C@H]1Br	857249096	ANDXVNKUPYQIER-SKDRFNHKSA-N	320.252	1.988	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NCc2cc(C(N)=O)no2)c(C)c1	752684561	LCNLHMNSDFCQOW-UHFFFAOYSA-N	317.349	1.525	50	20	DDGD	
CCC[C@@H](O)CC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	750315207	WUUBEFNVKZFXFT-CQSZACIVSA-N	316.361	1.184	50	20	DDGD	
CSc1ccc(C=NNC(=O)CNC(=O)c2ccco2)cc1	750938600	JLISOGJGSNFSAA-UHFFFAOYSA-N	317.370	1.882	50	20	DDGD	
O=C1CC[C@@H](CC(=O)NNc2ccc(OC(F)F)cc2)CN1	857474058	PXVYFPZLPBRBTJ-VIFPVBQESA-N	313.304	1.647	50	20	DDGD	
CC1=NO[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2Cl)C1	854248095	NSDDVJHSSUIQDS-JTQLQIEISA-N	316.144	1.919	50	20	DDGD	
O=C(CSCc1ccc(F)cc1)NNC(=O)NCC1CC1	920860119	APCSCWUCBBVNEP-UHFFFAOYSA-N	311.382	1.799	50	20	DDGD	
COc1cccc(C(=O)NNc2cnnn2C)c1OC(C)C	857270310	YEUNIHAHLKTTEN-UHFFFAOYSA-N	305.338	1.368	50	20	DDGD	
CC(C[C@@H]1CCOC1)=NNC(=O)Cc1cn2ccccc2n1	751528625	FQDWFWBGUNOMNB-ZDUSSCGKSA-N	300.362	1.796	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1nccc2occc12)C1CC1	855096601	YSFUOHOBGPRCAL-MRVPVSSYSA-N	304.375	1.735	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)C(C)C)Oc1cccc(F)c1	753344843	AECSTKSMWOZHMG-GFCCVEGCSA-N	311.357	1.970	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CNC1(CC(C)C)CC1	852682749	LKOIIOQWXYKITO-UHFFFAOYSA-N	317.433	1.853	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCc1ccccc1C(=O)OC	758709121	QVKLRPPTUAYZEZ-UHFFFAOYSA-N	321.377	1.536	50	20	DDGD	
CCCc1ccc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)s1	857207710	IYVUMJHYYPROBT-JTQLQIEISA-N	314.432	1.585	50	20	DDGD	
N#Cc1ccc(NNC(=O)COC2CCOCC2)cc1Cl	753322353	HILDSDXPRDWFJD-UHFFFAOYSA-N	309.753	1.850	50	20	DDGD	
C[C@H]1Cc2ccccc2C1=NNC(=O)Cc1cc(O)nc(O)n1	751134611	ZRHBEEKCBIJKMD-VIFPVBQESA-N	312.329	1.143	50	20	DDGD	
CCn1ccnc1C=NNC(=O)c1cc(OC)cc(OC)c1	755536893	QSBWSYDXURNCHD-UHFFFAOYSA-N	302.334	1.684	50	20	DDGD	
COC[C@@H](NC(=O)NNc1cc(F)ccc1C)[C@H]1CCCO1	854028809	WKBUNTSPERLBHI-ZIAGYGMSSA-N	311.357	1.954	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc(-c2cnco2)c1	855007205	TYROGRVMVQYFPX-GWCFXTLKSA-N	315.329	1.528	50	20	DDGD	
Cc1ncc(NC(=O)NNC(=O)COc2ccc(F)cc2)cn1	756367439	LWYBMACYJBMXNT-UHFFFAOYSA-N	319.296	1.156	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2cnn(C)c2)CN1Cc1ccccc1	757585091	XICLVYIBGOCAHO-CYBMUJFWSA-N	311.389	1.800	50	20	DDGD	
O=C(O)[C@@H](C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])C1CC1	852945389	DBVRZPIPPJYCHH-SNVBAGLBSA-N	313.697	1.802	50	20	DDGD	
COc1ccc(COCC(=O)NNC(=O)c2ccc(C)o2)cc1	752523560	ZYKDAUXXOBHAIA-UHFFFAOYSA-N	318.329	1.574	50	20	DDGD	
CC(C)(C)OC(=O)NN=C1CS(=O)(=O)Cc2ccccc21	853257526	DRJMAZCIOGJDRX-UHFFFAOYSA-N	310.375	1.844	50	20	DDGD	
CC(C)(CCC(=O)NNC(=O)OCC(F)(F)F)[N+](=O)[O-]	856018631	FOIGDEVNPJQEOZ-UHFFFAOYSA-N	301.221	1.142	50	20	DDGD	
CC1(C)OCC(NC(=O)NNc2cc(F)c(F)cc2F)CO1	758738547	FWKVSAZGNGTHDC-UHFFFAOYSA-N	319.283	1.882	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)N[C@H]3CCOC3)cc2C1	752126229	GOIYMJABOAGTCJ-ONGXEEELSA-N	323.418	1.606	50	20	DDGD	
CC(C)n1ncc2ccc(NCc3cccc(B(O)O)c3)cc21	864029058	WAYXKPWIVVFTHL-UHFFFAOYSA-N	309.178	1.909	50	20	DDGD	
O=C1NCCC[C@H]1C(=O)NNc1cc(Cl)ccc1Cl	866873213	PKZAKDVOYOTICG-MRVPVSSYSA-N	302.161	1.963	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)CC(F)(F)F)CCO[C@@H]1C1CC1	768536033	RUDUJRNYJLXEJK-ZYHUDNBSSA-N	323.315	1.474	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1ccc(O)c([N+](=O)[O-])c1	763284769	VEQNIFSKLSRCTR-UHFFFAOYSA-N	317.257	1.081	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCC(=O)N1)C12CC3CC(CC(C3)C1)C2	863146389	QZKLHXIDZZWXLM-DLUQRMLASA-N	303.406	1.974	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)C(=O)N2CCCC2)[C@@H](C)C1	761260933	HXWOQSRVNQWFFB-NWDGAFQWSA-N	323.393	1.080	50	20	DDGD	
CCCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1cc(C)cs1	862478012	QCTQBOJJZLPTDS-LLVKDONJSA-N	323.418	1.609	50	20	DDGD	
CCCCCn1cc(CNC(=O)NNc2ncccn2)c(C)n1	768117530	IQSRCVYTRSHAQX-UHFFFAOYSA-N	317.397	1.998	50	20	DDGD	
Nc1c(C(=O)NNc2nc3ccccc3[nH]2)cccc1[N+](=O)[O-]	768495573	MMODILXFUFYRET-UHFFFAOYSA-N	312.289	1.810	50	20	DDGD	
CCC1(CC)C(=NNC(=O)Cc2cc(O)nc(O)n2)C[C@H]1OC	762604558	OJAIRQRMVNIDFQ-LLVKDONJSA-N	322.365	1.128	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(F)c(F)c(F)c1)[C@@H]1CCC(=O)N1	860329261	SLKGMPZIGADMCX-LDWIPMOCSA-N	301.268	1.462	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2O)[nH]1	763960139	WMNNHRLPVYEVAL-UHFFFAOYSA-N	304.693	1.320	50	20	DDGD	
C[C@@H](NNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C(F)(F)F	862316373	OJOPHOPORKRFMJ-RXMQYKEDSA-N	321.211	1.509	50	20	DDGD	
CC(=O)N[C@H](CC(C)C)C(=O)NNc1cccc([N+](=O)[O-])c1C	860326052	RKHGIDHPRNCEJG-CYBMUJFWSA-N	322.365	1.897	50	20	DDGD	
Cc1oc(C(=O)NNC(=O)CCCc2ccccc2)cc1CO	865142726	KHFVNPHHSACTRF-UHFFFAOYSA-N	316.357	1.864	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1	762090716	CBSYCKFKZMQDSW-CYBMUJFWSA-N	324.425	1.154	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)OCC(=O)[C@H]1CCOC1	766750982	KAVKXLUDIHPWQM-WPRPVWTQSA-N	307.184	1.945	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)c3c[nH]nc3C)cc2s1	761732113	ZOARWABROAJBOU-UHFFFAOYSA-N	315.358	1.711	50	20	DDGD	
Cc1nn(CC(F)F)c(C)c1C(=O)NNC(=O)c1cccnc1	760802136	VRZXBNHYKNKNFX-UHFFFAOYSA-N	323.303	1.235	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNC(=S)Nc1ccc(C)cc1C	873760122	NDHYESAOZJSUBY-LBPRGKRZSA-N	322.434	1.536	50	20	DDGD	
COc1ncccc1C(=O)NNc1ccc(F)c([N+](=O)[O-])c1	771592015	IEXYRGALFMSRLH-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](C(C)(C)O)C1	879963036	TYNGQANSLVRMNN-CHWSQXEVSA-N	313.442	1.051	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C12CC3CC(CC(C3)C1)C2	771889391	HZTBFAHVQAQJIX-LKBWSCCASA-N	322.405	1.692	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)C(=O)NC(C)C)cc1C	872339085	YCOFCADIGKWBAS-UHFFFAOYSA-N	305.378	1.759	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2ccc3cc[nH]c3n2)c1	779380283	QJTCSJKVUOKHES-UHFFFAOYSA-N	323.356	1.704	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)COc2ccc(C=O)cc2)n1	773860992	LSWICRSPJNODEM-UHFFFAOYSA-N	321.724	1.047	50	20	DDGD	
CC(=O)N1CCC[C@@H](CNC(=O)NNc2cccc(C)n2)C1	875548650	BKGUYESXUOUVNO-ZDUSSCGKSA-N	305.382	1.275	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@@H](NC(=O)NNC(=O)Cc2cccnc2)C1(C)C	775736160	OFWUHIOGFNSUEQ-LERXQTSPSA-N	320.393	1.014	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2ccc(OC)cc2)o1	1116318733	DOWMVUJZXBIRAP-UHFFFAOYSA-N	318.285	1.150	50	20	DDGD	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=NNC(=O)CO	776782165	MNSDLZODCRZHAD-UHFFFAOYSA-N	310.716	1.416	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)C(=O)Nc1cccc2cc[nH]c12	773478342	CZVOUWYNUXFSNP-UHFFFAOYSA-N	322.324	1.568	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1cc(C(=O)OC)cs1	872400774	QXHGJEUBYBCTKR-UHFFFAOYSA-N	314.363	1.038	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cccc(N2CCCC2=O)c1	878088859	DCJNQXZPJIORNB-UHFFFAOYSA-N	306.322	1.548	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1ccc(CN2CCOCC2)o1	879428687	ADDAGFJDYKJWAC-UHFFFAOYSA-N	320.324	1.403	50	20	DDGD	
CC[C@H](NNC(=O)[C@H]1CCO[C@@H]1C)C(=O)Nc1ccc(C)cc1	871888359	ACQZPACMIYUCIU-SNPRPXQTSA-N	319.405	1.758	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cnc(C3CC3)[nH]2)cc1	1116254802	FKRDWOSNXNGVSE-UHFFFAOYSA-N	300.318	1.371	50	20	DDGD	
CCOC(=O)C1(CNC(=O)NNC(=O)c2ccccc2C)CC1	770306979	FAKHSKJTSHJKSZ-UHFFFAOYSA-N	319.361	1.282	50	20	DDGD	
CC(C)[C@@H]1CC(=NNC(=O)C(=O)Nc2ccccn2)CCO1	776778658	UOMZWTCPKFZOAW-LBPRGKRZSA-N	304.350	1.327	50	20	DDGD	
COCCOCC(=O)NN=Cc1cc(C)n(CC(C)C)c1C	872402733	BWXUPRNFSWLSET-UHFFFAOYSA-N	309.410	1.874	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@@H](C)CC2(C)OCCO2)cc[nH]1	875371171	BWOAPUIMRVRFIQ-NSHDSACASA-N	308.382	1.227	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cc2ccccc2CO)c1	779835523	NXLOCKQDKGMCMD-UHFFFAOYSA-N	314.341	1.651	50	20	DDGD	
O=C(NNC(=O)c1ncccc1C(F)(F)F)c1ccccn1	770569811	WRHIKRKXRUNHDT-UHFFFAOYSA-N	310.235	1.570	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H]2CC[C@H](C)C2)c1	776429364	UVFUYNKLDFTRNW-GXTWGEPZSA-N	318.373	1.735	50	20	DDGD	
CCN1CCO[C@@H](C(=O)NNc2ccc(F)cc2Cl)C1	885136251	YRCZEIPFWAEEKU-GFCCVEGCSA-N	301.749	1.643	50	20	DDGD	
O=S(=O)(CCCCl)N[C@H]1CCc2cc(O)ccc2C1	882131928	UBYZRZJEVOYSRM-LBPRGKRZSA-N	303.811	1.798	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)/C=C\c2ccc(O)c(O)c2)cc1	779507046	VTVMYNSWTAVZLF-YWEYNIOJSA-N	323.308	1.444	50	20	DDGD	
CCS(=O)(=O)N[C@@H](C)C(=O)NNc1ccc(Cl)cc1F	885106921	NCASOQHNUCHROW-ZETCQYMHSA-N	323.777	1.250	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)OCCC(C)C)cc1O	882048265	JRQMVCBORCABFH-LBPRGKRZSA-N	308.378	1.913	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NC[C@H]1CCC=CO1	780730006	IJEAAOFWMSUPTR-CQSZACIVSA-N	303.362	1.642	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)N1CC[C@H](CF)C1	883480182	VFFLQGHWVQWJDM-GFCCVEGCSA-N	318.352	1.674	50	20	DDGD	
CCc1nn(C)cc1NC(=O)C(=O)NNc1ccccc1F	782707200	JYQSQVQJUBQDHI-UHFFFAOYSA-N	305.313	1.203	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)C	887150832	ZBVZUXFSBUHLIF-ZDUSSCGKSA-N	310.394	1.551	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NC[C@@H]1CCC=CO1	780753565	XXOPPRFQLXCOJR-AWEZNQCLSA-N	319.361	1.226	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN[C@@H](C)c2cccnc2)c1	782984377	UOYCPTLOHKBSHB-ZDUSSCGKSA-N	312.373	1.502	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCCN1CCCOCC1	783840837	CBIOGFDOXVPENK-LLVKDONJSA-N	321.259	1.635	50	20	DDGD	
O=C(NCCc1ccc(F)c(F)c1F)NNc1cccnn1	784496629	NQTDRERCURGSQO-UHFFFAOYSA-N	311.267	1.763	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C1CCC(OC)CC1	780641853	QEBDRCFFROGMND-UHFFFAOYSA-N	306.362	1.661	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)CCC2(C)CC2)cc1	891957713	IONNDPXBAWPICM-UHFFFAOYSA-N	305.378	1.835	50	20	DDGD	
CCC(CC)[C@H](C(=O)N1CC=C(C#N)CC1)N1CCOCC1	780690006	OPDHSLYXUDEBOV-MRXNPFEDSA-N	305.422	1.806	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCc1nnn(CC(F)(F)F)n1	799516350	RVOAGYRXOOIQAC-BAQGIRSFSA-N	301.228	1.139	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnn(-c2ccccc2)c1C	792949473	AVAREWIIVMDSTE-UHFFFAOYSA-N	315.402	1.476	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)Cc2cc(C)[nH]n2)[nH]c1C	799476521	MGHSZXIEFVQCCU-UHFFFAOYSA-N	317.349	1.224	50	20	DDGD	
COC(=O)NNC(=O)C(F)(F)c1cc(Cl)ccc1OC	891771768	IXUPSXSAYSTRBP-UHFFFAOYSA-N	308.668	1.828	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41	794993958	GPJAISGJAXSRBC-NVLGUBOKSA-N	314.307	1.480	50	20	DDGD	
CN1C(=O)COc2cc(NC(=O)NN=c3cc[nH]cc3)ccc21	799244781	MLUBUTMYVJSUOF-UHFFFAOYSA-N	313.317	1.007	50	20	DDGD	
CCCCn1ncc(NC(=O)C(=O)NNC(=O)CC)c1C(C)C	792264541	RTOYYCNPAMWIAQ-UHFFFAOYSA-N	323.397	1.303	50	20	DDGD	
Cc1cccc(C(=O)NN=C2CCC[C@H](S(C)(=O)=O)C2)n1	794567674	SGBXXPVCHCUAII-LBPRGKRZSA-N	309.391	1.463	50	20	DDGD	
CSCCONC(=O)NNC(=O)c1cc2c(s1)CCC2	793248787	JFGSKONNCZYXKJ-UHFFFAOYSA-N	315.420	1.475	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2cccc3cccnc23)n1	794090371	RISUPADDIJHJGZ-UHFFFAOYSA-N	320.352	1.942	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)nc1	792450509	HYBBRTLKYXFTEU-AWEZNQCLSA-N	321.340	1.787	50	20	DDGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(/C#N)S(=O)(=O)NC1CC1	794946554	WESQOVCNRJAUHF-MLPAPPSSSA-N	320.370	1.948	50	20	DDGD	
CC(=NNC(=O)c1cnn(-c2ccccc2)c1)c1ccc(O)nn1	790164003	JEMBWYQSFPNUAG-UHFFFAOYSA-N	322.328	1.522	50	20	DDGD	
C=CCN1CC[C@@H](OC(=O)/C(C#N)=C\c2ccc(O)cc2)C1=O	798631028	FCAZQFAQJMDEAU-VSKPTYQZSA-N	312.325	1.629	50	20	DDGD	
N#CC1(CNC(=O)NNC(=O)c2ccc3ccccc3n2)CC1	797583179	QLRNYQGGNHKEJM-UHFFFAOYSA-N	309.329	1.483	50	20	DDGD	
Cc1nn(CCO)c(C)c1C=NNC(=O)c1ccccc1F	1317974410	DHLQXBWYIGJWRR-UHFFFAOYSA-N	304.325	1.395	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2nc3ccccc3[nH]2)n1	1319689815	WOUDOYDHUXPADE-UHFFFAOYSA-N	310.317	1.074	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccnc(OC2CCC2)c1	1326646018	CAFTXLWOSAVKRG-MFKMUULPSA-N	319.361	1.199	50	20	DDGD	
Cn1c(=NNC(=O)C23CCCN2CCC3)sc2ccccc21	1324932646	FSADPHFOSSTPNJ-UHFFFAOYSA-N	316.430	1.800	50	20	DDGD	
Cc1ccccc1[C@@H](C)NC(=O)NNC(=O)C1CCNCC1	1334228765	GDXZXQUOQFBBKQ-GFCCVEGCSA-N	304.394	1.386	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1NC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1331086068	QMMBPODKQYSUJZ-DCJFZGGZSA-N	317.227	1.437	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Nc1ccc(Cl)cc1)[C@@H]1CCC(=O)N1	1330003010	ICNQMIJUDKXGFH-KCJUWKMLSA-N	324.768	1.407	50	20	DDGD	
CC(=NNC(=O)COc1ccc(F)cc1)c1ccnc(C)n1	1339005632	AYEISRZUEPNMLM-UHFFFAOYSA-N	302.309	1.843	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cc(CN(C)C)on2)cc1	1262479292	WLFNUHMFAAZWKH-UHFFFAOYSA-N	316.361	1.373	50	20	DDGD	
Cc1cnn(CC2CC2)c1NC(=O)NNC(=O)c1ccccn1	1342389869	MHACAKOKJUVSSG-UHFFFAOYSA-N	314.349	1.463	50	20	DDGD	
CC1(C)[C@@H]2CC[C@@]1(C(=O)NNC(=O)Cc1ccccn1)C(=O)C2	1348793748	NJSLCIZDDWRGTN-DIFFPNOSSA-N	315.373	1.167	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)NC(C)C)ccc1-n1cccn1	1261388209	BKLKECKDDUGSBP-UHFFFAOYSA-N	317.418	1.698	50	20	DDGD	
COc1ccc(CCCC(=O)NNc2ccn(C)n2)c(OC)c1	1348606750	DJZPFUYBJPPFKP-UHFFFAOYSA-N	318.377	1.903	50	20	DDGD	
COC[C@H](NC(=O)NN=c1cc[nH]c(C)c1)c1ccc(F)cc1	1349233102	BKNHJLATVSYXNG-HNNXBMFYSA-N	318.352	1.965	50	20	DDGD	
C=CCCn1cc(C=NNC(=O)c2n[nH]c3c2CCCC3)nn1	1350466789	JIAMXLZWOHRFSC-UHFFFAOYSA-N	313.365	1.220	50	20	DDGD	
CN(CCO[Si](C)(C)C(C)(C)C)c1cc(=O)n(C)c(O)n1	1515831627	GLOSYRWIFVEJSO-UHFFFAOYSA-N	313.474	1.944	50	20	DDGD	
N#CC1(C(=O)NNc2cccc(C(=O)O)c2)CCSCC1	1608172143	MSIHHWFPDYVQAI-UHFFFAOYSA-N	305.359	1.865	50	20	DDGD	
Cc1cc(CC(=O)NNc2ccc(C(=O)O)c(Cl)c2)n[nH]1	1600187165	POVOHMKDAOPTGQ-UHFFFAOYSA-N	308.725	1.756	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ncnc3ccsc23)nc1	1608905183	FFMXHBCWLIQFNS-UHFFFAOYSA-N	315.314	1.541	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1ccnc(-c2nn[nH]n2)c1	1609559436	FQVCXWGOKOUHOQ-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CC(C)(C)CC(=O)O	1600574770	BZXRKIJPPXBFOE-UHFFFAOYSA-N	306.362	1.576	50	20	DDGD	
O=C(O)CC[C@@H]1CC[C@H](C(=O)NNc2nc3ccccc3[nH]2)O1	1602036202	MRINEUMEOWLXCE-JOYOIKCWSA-N	318.333	1.418	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]c1=S)[C@H]1C[C@H]1C(=O)O	1601562108	SFLWFDVHRANGFH-NKWVEPMBSA-N	304.331	1.456	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCC[C@](C)(C(=O)O)C2)cn1	1610600936	CVDCEUCIILUWAX-MFMIUCCHSA-N	302.334	1.040	50	20	DDGD	
Cn1nc(C2CC2)nc1CC(=O)NNc1ccccc1C(=O)O	1610614370	VEXOBIPYRRBVQP-UHFFFAOYSA-N	315.333	1.077	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)c1cn(C)c2ccccc12)[C@@H](C)N	1575413116	JXLACVCAERXGDX-ABAIWWIYSA-N	316.405	1.559	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCCC[C@@]2(C)N)cc1O	1579663786	ICKRBYRURIRWJN-MLGOLLRUSA-N	305.378	1.369	50	20	DDGD	
O=C(O)CCCCC(=O)NNC(=O)CCCc1ccccc1	1574699303	AHUVXOLBFPMXRK-UHFFFAOYSA-N	306.362	1.802	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNc2ccc(C(=O)O)cn2)cc1O	1589277162	FHDSSCGGVCQSTM-UHFFFAOYSA-N	315.285	1.445	50	20	DDGD	
O=C(C[C@@H]1CNc2ccccc21)NNC(=O)N=c1cc[nH]cc1	1580518323	ZISPFFRQDFDNBL-LLVKDONJSA-N	311.345	1.256	50	20	DDGD	
Cc1nocc1C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843362607	CESCUPVICRNTSM-JTQLQIEISA-N	315.732	1.334	50	20	DDGD	
CC[C@H](Br)C(=O)N1CC2(CCCN2C(C)=O)C1	1842765114	GUZPJAONEFLNAU-JTQLQIEISA-N	303.200	1.383	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C2CC(C)(C)C2)o1	1589773800	NGVMSKPAOYAMAV-UHFFFAOYSA-N	319.369	1.857	50	20	DDGD	
C[C@H]1CC(=O)CC[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1590182193	ZMBVTXQEXLIGQO-TVQRCGJNSA-N	314.349	1.315	50	20	DDGD	
Cc1cncc(/C=C\C(=O)NNc2ccc(-c3nn[nH]n3)cn2)c1	1592298280	CGABGJMMTVEXAS-DJWKRKHSSA-N	322.332	1.122	50	20	DDGD	
CO[C@@H](C(=O)O)C(=O)NNc1ccc(C#N)cc1C(F)(F)F	1593911233	INNWPOFVBMLCKO-SECBINFHSA-N	317.223	1.120	50	20	DDGD	
O=C(NN=C1CC[C@H](C(=O)O)c2ccccc21)c1ncccn1	1776081137	ABMPYHYXVBZXKV-LBPRGKRZSA-N	310.313	1.573	50	20	DDGD	
CCOc1cc(/C=C(/C#N)C(=O)OC)ccc1OCC(=O)O	1776115120	NPNHZEYRKBKDIX-WDZFZDKYSA-N	305.286	1.629	50	20	DDGD	
CC(=NNC(=O)c1ccc(C(=O)O)cc1)c1ccc(O)nn1	1776100668	UKJZRHLTQGWNMX-UHFFFAOYSA-N	300.274	1.034	50	20	DDGD	
COCCCNC(=O)NN=Cc1c(C)ccc(OC)c1C(=O)O	1776039617	MTKYKOBNVKVFHA-UHFFFAOYSA-N	323.349	1.371	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNC(=O)c1cc(C)nc2ccccc12	18989186	XWDLALGJCORFQN-ZRDIBKRKSA-N	324.340	1.748	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2OCCc3ccccc32)n1	161770791	GYWDJHBWZKYMOX-CQSZACIVSA-N	314.345	1.551	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(c2ccc(F)cc2)CC1	158528096	QQCIODCWJFOHTN-SEYXRHQNSA-N	303.337	1.918	50	20	DDGD	
O=C(NNc1nccc(N2CCOCC2)n1)[C@H]1CC=CCC1	155562780	WXOQAOURYCZTIE-LBPRGKRZSA-N	303.366	1.113	50	20	DDGD	
CCOC(=O)N[C@@H](C(=O)NNc1ccc(C#N)cc1)C(C)C	155130990	HGVBJCMSSSDOMC-CYBMUJFWSA-N	304.350	1.772	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1cccc(S(=O)(=O)CC)c1	159599206	BOILXFQTYGSQAH-KHPPLWFESA-N	308.359	1.863	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)CC(C)C)cc1OC	7386774	FVLVJYXWWLIWIR-UHFFFAOYSA-N	316.379	1.059	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)c2c(C)nc3ccccn23)cc1	7810428	VCSKVTWRNOLEHL-UHFFFAOYSA-N	322.368	1.955	50	20	DDGD	
Cc1ccc(NNC(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)nn1	106263552	XUTQJZOIFVUWGZ-STQMWFEESA-N	320.441	1.779	50	20	DDGD	
CN(NC(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1	8357885	WEUXLIJSDKQIMS-UHFFFAOYSA-N	309.325	1.450	50	20	DDGD	
O=C(CCOC[C@H]1CCCO1)NNc1nccnc1Cl	114894216	HMRSUXJJCREDJT-SECBINFHSA-N	300.746	1.159	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(C)nc2onc(C)c12	54867143	VFNMQEDTYCDXQG-UHFFFAOYSA-N	305.363	1.135	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCc2ccncc2)c1	54028757	JMDQDPIDYFMPIP-UHFFFAOYSA-N	314.345	1.299	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1ccc(F)c(F)c1F	103060391	DARSIKKRXXSRFP-UHFFFAOYSA-N	324.324	1.850	50	20	DDGD	
Cc1noc(C)c1CCC(=O)NNC(=O)c1cccc(C#N)c1	103402980	WFNBEWZFDHJUEZ-UHFFFAOYSA-N	312.329	1.557	50	20	DDGD	
CSc1ncc(Cl)c(C(=O)NNc2cc(C)ncn2)n1	172278171	MAMYKKRUDPGAOJ-UHFFFAOYSA-N	310.770	1.707	50	20	DDGD	
O=C(CCn1cccn1)NNC(=O)Cc1cccc2ccccc12	119973309	LHQYAVJRTVDUTQ-UHFFFAOYSA-N	322.368	1.817	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)cn1	117678350	ZIZOWMRDHQYGRM-RYUDHWBXSA-N	320.299	1.263	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)CC1CCOCC1	117141744	ZFKBDEGSURXQFJ-UHFFFAOYSA-N	304.390	1.973	50	20	DDGD	
CC(C)Oc1ccc(CNC(=O)NNC(=O)C(C)(C)C)cn1	119459312	FWXJZHSDRCTUPC-UHFFFAOYSA-N	308.382	1.745	50	20	DDGD	
Cc1occc1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	24540961	FIKFIOZBWCUNEO-JTQLQIEISA-N	306.293	1.956	50	20	DDGD	
CCCC[C@H]1CCC[C@H]1NC(=O)NNC(=O)C(=O)N1CCCC1	69882474	ZGJZVZIJYYSFCE-QWHCGFSZSA-N	324.425	1.298	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1cc(F)ccc1O	175246836	SMGHOQLQFSPVFP-UHFFFAOYSA-N	318.304	1.509	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)C[C@@H]2CCCO2)o1	64049065	OVAJOYVUSGNEAW-LBPRGKRZSA-N	323.393	1.452	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NC[C@H]1CCCO1	68445884	XLUCFHHYDDKMLW-CQSZACIVSA-N	305.378	1.519	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccc[nH]2)C12CCC2	175657818	IQJTVVBVHUJERZ-NEPJUHHUSA-N	306.366	1.306	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](C)CCc2cccn2C)nn1	173850195	BHLQJWAQTOHJFL-LLVKDONJSA-N	302.382	1.771	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)c1ccncc1)N1CCCCC1	170915811	BOARQNRDLHFFFL-AWEZNQCLSA-N	304.394	1.353	50	20	DDGD	
CC(C)CCN(C)C(=O)NNC(=O)COCc1ccccc1	127458148	HZNZMYGVNQVSFH-UHFFFAOYSA-N	307.394	1.922	50	20	DDGD	
COCCCNC(=O)NNC(=O)COc1ccc(Cl)cc1	65212026	YQOKBHXMWLYCQA-UHFFFAOYSA-N	315.757	1.086	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(-c2cccc(Cl)c2)no1	126855097	DFUWLJGZTIVFHX-UHFFFAOYSA-N	308.725	1.959	50	20	DDGD	
C[C@H](Oc1ccccc1)C(=O)NNC(=O)c1ccc(C#N)cc1	129175644	SZGVISDHRLAMMH-LBPRGKRZSA-N	309.325	1.787	50	20	DDGD	
COc1ccc(CCNC(=O)NNC(=O)c2ccc[nH]2)cc1	124386258	KEDFTMKTONUPDC-UHFFFAOYSA-N	302.334	1.210	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CCCN(C)CC2)cc(C#N)n1C	127409011	XHKIPQONNDAEJE-OQLLNIDSSA-N	311.389	1.276	50	20	DDGD	
CN1N=C(C(=O)NNc2ccc(OC(F)F)cc2)CCC1=O	122403915	GGKVBBOFAHJVAE-UHFFFAOYSA-N	312.276	1.339	50	20	DDGD	
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NNC(=O)C(C)(C)C	121483731	HIAHDODSBGIHFS-UHFFFAOYSA-N	315.351	1.259	50	20	DDGD	
Cc1ccnc(O)c1C(=O)NNc1nc(-c2ccccc2)no1	181063177	KZTZWPABTKGDSH-UHFFFAOYSA-N	311.301	1.903	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@H]1SCCc2ccccc21	79327805	WYZHYZFFXUBBIU-AWEZNQCLSA-N	315.398	1.817	50	20	DDGD	
CCn1nc(C(C)C)cc1C(=O)NNC(=O)NCCCOC	123036832	VIUITPURNXNOFH-UHFFFAOYSA-N	311.386	1.007	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)CCCc2ccccc2)CCO1	75983201	OBLXYGBSVDNNDU-ZDUSSCGKSA-N	305.378	1.471	50	20	DDGD	
CC[C@H](CC1CCCCC1)C(=O)NNC(=O)C(=O)NC1CC1	74688205	RPCIDYOQAIQFGT-GFCCVEGCSA-N	309.410	1.409	50	20	DDGD	
C[C@H]1C[C@@H](CC(=O)NNC(=O)Cc2cc[nH]n2)CC(C)(C)C1	186153854	TVIANXQDIRQEAW-RYUDHWBXSA-N	306.410	1.952	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc(-c2ccc(F)cc2)on1	134963713	NEKYXKPHXMVKOZ-UHFFFAOYSA-N	318.308	1.835	50	20	DDGD	
O=C(CO)NNC(=O)c1ccccc1OCc1ccc(F)cc1	180952804	ZFJATTUMCVJQBY-UHFFFAOYSA-N	318.304	1.158	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc2c(c1)ncn2C	131887180	FNRNDVCIICQENW-UHFFFAOYSA-N	324.340	1.657	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)c1c[nH]c2ccccc12	184204036	MJFWLBZKNBJWBA-UHFFFAOYSA-N	303.362	1.992	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)NC2CCCCC2)ccc1C#N	193324265	DGKRKFLSEZSJCM-UHFFFAOYSA-N	301.350	1.538	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccc2c(c1)OCCO2)C1CC1	43840336	BPOXKYNYNRDSJM-VIFPVBQESA-N	305.334	1.200	50	20	DDGD	
COc1ccc(F)cc1NC(=O)C(=O)NNc1ccnc(F)c1	190304146	YLSRZASXYGHXBV-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CCc1nc(C2CCCC2)no1	135387019	QHZNVWDRMSWQHO-UHFFFAOYSA-N	309.370	1.399	50	20	DDGD	
Cc1nccn1C[C@@H](C)CNC(=O)NNc1cncc(Cl)n1	194892572	HKNFFDSITOVCPS-VIFPVBQESA-N	323.788	1.597	50	20	DDGD	
CCn1cc(NC(=O)NNC(=O)c2c[nH]c3ccccc23)cn1	193838602	FSRXPGKWRMLHEA-UHFFFAOYSA-N	312.333	1.851	50	20	DDGD	
C=CCNc1ncc(C(=O)NNc2nc3ccccn3n2)s1	191788304	RGMIELIGUIUCDX-UHFFFAOYSA-N	315.362	1.541	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cc1ccccc1[N+](=O)[O-])C1CC1	83676087	UCSZWEKSVSLZAE-SECBINFHSA-N	322.390	1.431	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)CN1CCCCC1=O	97288221	DHWOBMQIADMKAU-UHFFFAOYSA-N	323.780	1.042	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1nc(-c2nccn2C)cs1	255886486	PVPJHWMHZUSXCS-CLFYSBASSA-N	303.347	1.926	50	20	DDGD	
COc1cc(OC)c(C=NNC(=O)c2ccccn2)c(OC)c1	254522958	PCMFRSILNMNEHY-UHFFFAOYSA-N	315.329	1.871	50	20	DDGD	
O=C(CC[C@@H]1CCOC1)NNC(=O)Cn1cnc2ccccc21	267567850	MFVFZHAFYBNZPS-GFCCVEGCSA-N	316.361	1.000	50	20	DDGD	
Cc1c(NNC(=O)[C@H]2CCCN2C2CC2)cccc1[N+](=O)[O-]	279830547	KQHPWGGLNMKXGR-CQSZACIVSA-N	304.350	1.973	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc(OC)c(OC)c1)C(C)C	270272744	XCNORUYKNGUFLA-UHFFFAOYSA-N	323.393	1.195	50	20	DDGD	
Cn1cc(-c2cncc(C(=O)NNC(=O)OC(C)(C)C)c2)cn1	369135992	AZDNCORLICTBKD-UHFFFAOYSA-N	317.349	1.652	50	20	DDGD	
CCn1c(NNC(=O)CC(C)(C)OC)nc2ccccc2c1=O	279748349	PTZUNEMBCXELED-UHFFFAOYSA-N	318.377	1.675	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)C(C)(C)C)c(OC)c1	275822078	WYVYSTYHJDAVFG-UHFFFAOYSA-N	323.349	1.681	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cc(F)cc(Cl)c1	270027928	CRBJUCCEGLRYNQ-SSDOTTSWSA-N	308.762	1.835	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@H]1CCc2[nH]ncc2C1	270214814	RGORRPKXCIIDHS-VIFPVBQESA-N	301.306	1.566	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C(C)(C)CCOC)nc1C	273687903	GTLMEYPXKPULEN-UHFFFAOYSA-N	324.381	1.468	50	20	DDGD	
C=C(C)[C@@H](CC(=O)NNc1nc(-c2ccncc2)no1)OCC	270133611	YIDZNFHYTGQPQV-GFCCVEGCSA-N	317.349	1.946	50	20	DDGD	
Cn1nccc1C(=O)NN=c1nc(-c2ccc(Cl)cc2)[nH]o1	373098503	GYAIRHJTDYMNIL-UHFFFAOYSA-N	318.724	1.302	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)Cn1c(C)cc(C)nc1=O	281733404	JKUWKVSIXBKFNJ-UHFFFAOYSA-N	314.389	1.874	50	20	DDGD	
COC(=O)C(C)(C)CCNC(=O)NNc1nc(C)cc(C)n1	287009180	RJLLQDPBEPMRSE-UHFFFAOYSA-N	309.370	1.309	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)C(C)(C)c1ccccc1	281792953	FBAWYPXWQNCTJF-SCRDCRAPSA-N	304.390	1.925	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1	288358131	GVNLUSZRBQFSLR-UHFFFAOYSA-N	301.346	1.469	50	20	DDGD	
Cn1cc([C@@H](NC(=O)NNc2cccnn2)c2ccccc2)cn1	374957888	YGPOLXNAPCQKBH-HNNXBMFYSA-N	323.360	1.626	50	20	DDGD	
O=C(NCCC(=O)OC1CCCCC1)NNc1ncccn1	282819587	ISUGMBLOUVUSEZ-UHFFFAOYSA-N	307.354	1.369	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	282521205	LAKQSNYOPUESJF-ICUOPCATSA-N	324.352	1.554	50	20	DDGD	
CC(C)COc1ccc(C(=O)NNC(=O)N2CCOCC2)cc1	285826708	IIGFRELVCICOIX-UHFFFAOYSA-N	321.377	1.408	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@H]1[C@H]1CCCO1	285180089	AMBMPQNHYILPRF-UONOGXRCSA-N	318.377	1.008	50	20	DDGD	
CCCC(=O)N1CSC[C@H]1C(=O)NNc1ncccc1F	285827876	CGROJHNVXYXHJK-JTQLQIEISA-N	312.370	1.365	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H](c1ccccc1)N(CC)CC	280867545	BLKVXPDFGBPIGG-CQSZACIVSA-N	320.462	1.751	50	20	DDGD	
Cn1ccc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1=O	802019643	PKTMRVWLCPPXOC-UHFFFAOYSA-N	320.736	1.505	50	20	DDGD	
O=C(NC[C@H]1Cc2ccccc2O1)NNc1cccc(F)n1	804907650	CSKKXIJPCXQWHD-LLVKDONJSA-N	302.309	1.851	50	20	DDGD	
C[C@@H](Oc1ccc(C=O)cc1)C(=O)NNc1cccc(F)n1	804769542	ILDPTYXIIXZGNZ-SNVBAGLBSA-N	303.293	1.944	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])C(=O)c1ccc(O)cc1	807444873	KYLAGKCLLDTKFF-UHFFFAOYSA-N	319.248	1.766	50	20	DDGD	
Cc1nn(C)c2ncc(C(=O)NNc3ncccc3F)cc12	804220184	OMOXHEPYZXQISR-UHFFFAOYSA-N	300.297	1.568	50	20	DDGD	
Cc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)[C@H]1CCCCO1	295608107	GHIAGLCKEUKPLS-LLVKDONJSA-N	307.306	1.233	50	20	DDGD	
Cc1c(CC(=O)NNc2nccnc2C2CCC2)cnn1C	294149700	VGYRIOMZKPHYSN-UHFFFAOYSA-N	300.366	1.472	50	20	DDGD	
O=C(C[C@@H]1CCCC(=O)N1)NNc1ccc2c(=O)[nH]ccc2c1	809804676	WWZUWIWMIWHIQE-NSHDSACASA-N	314.345	1.030	50	20	DDGD	
Cn1c(=O)oc2c(NC(=O)NNc3ncccc3F)cccc21	806364096	PJEMWPDBFNJTNV-UHFFFAOYSA-N	317.280	1.814	50	20	DDGD	
COCc1cccc(NC(=O)C(=O)NNc2ncccc2F)c1	807300149	BDDOZPRZFGMUOU-UHFFFAOYSA-N	318.308	1.449	50	20	DDGD	
COC(=O)c1ccc(C(=O)NN(C)C(=O)OC(C)(C)C)n1C	297080067	DDHBSIWMIOPQPO-UHFFFAOYSA-N	311.338	1.323	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	807445219	PTVUIBBHFPKGDR-UHFFFAOYSA-N	306.253	1.398	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)Cc1ccc2c[nH]nc2c1	806355144	OBYCHBICBYIFJM-UHFFFAOYSA-N	323.356	1.365	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)[C@@H]2CCCCO2)c(C)c1	295741281	NODMFNGAVJVSNO-HNNXBMFYSA-N	320.389	1.789	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNC(=O)COc1ccc(F)cc1	294181360	FEILLLHKSCNXEW-UHFFFAOYSA-N	320.324	1.016	50	20	DDGD	
CC(C)(C#N)c1ccc(NC(=O)NNC(=O)[C@@H]2CCCO2)cc1	292587414	IPMPOOLZDNETQG-ZDUSSCGKSA-N	316.361	1.819	50	20	DDGD	
CCC1CC(=O)C(=CNNC(=O)c2ccccc2F)C(=O)C1	299254135	FNLYKPLMLCRESY-UHFFFAOYSA-N	304.321	1.902	50	20	DDGD	
N#CCCCCCC(=O)NNC(=O)Cc1cn2ccccc2n1	805188102	DYWFHCQTFUCFAY-UHFFFAOYSA-N	313.361	1.498	50	20	DDGD	
O=C(O)c1cc(C=NNC(=O)C(F)(F)Oc2ccccc2)c[nH]1	814855209	HQYOFUJWHUFEAD-UHFFFAOYSA-N	323.255	1.835	50	20	DDGD	
O=S(=O)(CBr)N1C[C@]2(CCCO2)[C@H]1C1CC1	815104248	FOSKZRNYXYJXRR-NXEZZACHSA-N	310.213	1.312	50	20	DDGD	
Cc1cccc(C=NNC(=O)Cc2cc(O)nc(S)n2)c1O	814783540	MHFWHELREWGVJV-UHFFFAOYSA-N	318.358	1.178	50	20	DDGD	
O=C(Cn1nnc(-c2ccccc2)n1)NN=C1C[C@H]2CC[C@H]1C2	814703618	NFLOUMYDVSJDTO-AAEUAGOBSA-N	310.361	1.632	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1C(=O)NNC(=O)CNC(=O)c1cccs1	819213023	HEWVKLBFBXPKHT-MNOVXSKESA-N	323.418	1.452	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCc2ncccn2)c1	812545924	JAAOHAPCUPGEAM-UHFFFAOYSA-N	300.318	1.339	50	20	DDGD	
Cc1c(Br)cc(C(=O)NN(C)C2CC2)c(=O)n1C	819651238	GMCAYJCIEFYXDP-UHFFFAOYSA-N	314.183	1.195	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)CCc1ccc(Cl)cc1	818046925	GPAMYERWRMLEJB-UHFFFAOYSA-N	304.799	1.489	50	20	DDGD	
CCOc1ccc(NNC(=O)CN(C)[C@@H]2CCSC2)cc1	817900240	ZWZBCEMHKZPYFJ-CYBMUJFWSA-N	309.435	1.966	50	20	DDGD	
COC(=O)C(C)(C)CC=NNC(=O)COc1ccc(F)cc1	814748905	OCRAGVRRBQVMCB-UHFFFAOYSA-N	310.325	1.896	50	20	DDGD	
CCc1nc(C)c(CNC(=O)NNC(=O)CC(F)(F)F)o1	813875302	JRTLSRJMOPYUPJ-UHFFFAOYSA-N	308.260	1.328	50	20	DDGD	
CCCc1[nH]ccc1C(=O)NNC(=O)Cc1ccccc1OC	817606436	BYRXAGJLIVWJOM-UHFFFAOYSA-N	315.373	1.980	50	20	DDGD	
O=C(NNc1cnccn1)Nc1nc2cc(Cl)ccn2n1	810249309	UDTWHAHEIYSWFS-UHFFFAOYSA-N	304.701	1.321	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1cccc(C2CC2)c1	817322912	OINIJXJRMBIOQJ-CQSZACIVSA-N	315.417	1.982	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccnc(Br)c1	817080883	JAILLAWIEWAFEM-UHFFFAOYSA-N	312.102	1.530	50	20	DDGD	
Cc1cc(C(=O)NN=C2CC[C@H](C(=O)O)C(C)(C)[C@H]2C)n[nH]1	814876365	UYRBEGMROVTCER-VHSXEESVSA-N	306.366	1.961	50	20	DDGD	
Cn1nc(C(=O)NN=C[C@H]2CCCOC2)c2ccccc2c1=O	814739072	AXALJFZEZQRTQH-LLVKDONJSA-N	314.345	1.076	50	20	DDGD	
C[C@H]1CN(C[C@@H](C)C(=O)NN=CCC(F)(F)F)C[C@@H](C)O1	817323163	SUQKWMICSNCJMS-MXWKQRLJSA-N	309.332	1.786	50	20	DDGD	
CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(CCCCl)cc1	726973917	NWAURHDMKRLJGN-SNVBAGLBSA-N	318.826	1.271	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc(Cl)nc1	826447112	NQCPYEZLZNNORJ-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
Cc1cccc(C(=O)NN(C)[C@@H](C)CO)c1Br	823939577	MCASAXILEHKBOA-VIFPVBQESA-N	301.184	1.715	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@@H]1CCc2ccc(O)cc21	822672005	OQURPIKHLRUUKQ-KGLIPLIRSA-N	319.361	1.279	50	20	DDGD	
Cn1nc(C2CC2)cc1C(=O)NNC(=S)NCC1CCC1	824437732	ZMGRJCYUMYMLJN-UHFFFAOYSA-N	307.423	1.207	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)N[C@@H]2CO[C@H](C)C2)c1	828420256	KBKNBZBPGLRBSG-OLZOCXBDSA-N	321.377	1.190	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21	824335322	SNQVZSAYCYXZLC-KHUJYXKRSA-N	323.194	1.974	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H](C)CN2CCC(C)CC2)n1	822698091	LAIZWQFFTNJVRY-GFCCVEGCSA-N	322.413	1.232	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@H]1CCCN1C(=O)C(C)(C)C	728608300	SRLGIPCQHCUUAG-LLVKDONJSA-N	311.426	1.607	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)NCC2=CCCC2)cc1	823098266	HWFHBZQTFYIINT-UHFFFAOYSA-N	319.361	1.515	50	20	DDGD	
C[C@H](CNC(=O)NNc1cccnn1)CNC(=O)OC(C)(C)C	493981341	KFVHRVUZRJJFCT-SNVBAGLBSA-N	324.385	1.264	50	20	DDGD	
CCN(CCO)NC(=O)c1ccccc1OCc1ccncc1	823846132	CFTQSPHKOAGYDX-UHFFFAOYSA-N	315.373	1.620	50	20	DDGD	
Cc1cccc(C(C)(C)CNC(=O)c2ccc(B(O)O)cc2)c1	584940193	QXLKPGLWYISBSR-UHFFFAOYSA-N	311.190	1.382	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(C)(C)c1ccccc1	823209115	OUQHTFROSORINO-KGLIPLIRSA-N	302.374	1.703	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)OCO2	826446976	HXIMAFMUPHJACQ-UHFFFAOYSA-N	324.300	1.352	50	20	DDGD	
CC(=NNC(=O)C1CCC1)c1ccc(S(=O)(=O)N(C)C)cc1	731936331	RGNRFFSBBYSNDU-UHFFFAOYSA-N	323.418	1.577	50	20	DDGD	
CC(=O)N[C@@](C)(C(=O)NN(C)C(=O)OC(C)(C)C)C(C)C	822508099	VOXTVRUGLBBQFE-CQSZACIVSA-N	301.387	1.435	50	20	DDGD	
C[C@]1(C(=O)NCCCO[C@H]2CCOC2)C[C@@H]1Br	906960325	MADAOGPHJYDATD-NHCYSSNCSA-N	306.200	1.472	50	20	DDGD	
C[C@H](CNC(=O)OC(C)(C)C)C(=O)NNC(=O)C(C)(C)C	495809016	HXLGSOGJLGEYAK-SECBINFHSA-N	301.387	1.341	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C1CCO[C@@H]1C	496152704	QRSKIFQYPDUUSV-PWSUYJOCSA-N	309.366	1.184	50	20	DDGD	
COC(=O)CCCN1CCC(=NNC(=O)OC(C)(C)C)CC1	491074773	CWPOBTCLRNNGLV-UHFFFAOYSA-N	313.398	1.916	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)Cn1cnc2ccccc21	491813637	KVYQLBZFSGAGFZ-UHFFFAOYSA-N	306.329	1.016	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2C[C@@H]3c4ccccc4CC[C@H]32)c1	585049434	GQUDRPKSFUVJTQ-GUDVDZBRSA-N	307.202	1.575	50	20	DDGD	
COC(CCCC(C)(C)CNS(=O)(=O)CCl)OC	831308513	NLDDUJCIVAWCOW-UHFFFAOYSA-N	301.836	1.918	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)C(=O)NNc1cc(C#N)cc(Cl)n1	837509141	YPJSJUQDXSCVEG-SECBINFHSA-N	318.768	1.662	50	20	DDGD	
CNC(=O)NCc1cn(/C(Cl)=C/CBr)nn1	900545503	DERJOERPSYLZHR-FARCUNLSSA-N	308.567	1.139	50	20	DDGD	
COC[C@H](C)NC(=O)NNC(=O)Nc1ccc(Cl)cc1	836202067	ICYQHZJOHVCWMN-QMMMGPOBSA-N	300.746	1.711	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1cnn(CC2CCC2)c1	901257224	BIOMLWRCVCJHNM-SWLSCSKDSA-N	304.394	1.948	50	20	DDGD	
O=C(C[C@H](n1cccn1)C(F)(F)F)NNc1cccnn1	832044207	MFXBBAROQMFVRS-QMMMGPOBSA-N	300.244	1.310	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2nn(C)cc2C)cc1C	839775230	SYEQIXMZTCTHAS-UHFFFAOYSA-N	316.361	1.971	50	20	DDGD	
Cc1cnc(OC(C)C)c(NC(=O)c2cccc(B(O)O)c2)c1	584995168	QVKPTZLPOGQECQ-UHFFFAOYSA-N	314.150	1.109	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1sccc1C	733744891	VTPIDVVVJDGRKY-JTQLQIEISA-N	300.405	1.331	50	20	DDGD	
CCc1cc(CNC(=O)NNC(=O)c2ccccc2C)n[nH]1	736650840	FCYBNCUSBGLUKZ-UHFFFAOYSA-N	301.350	1.425	50	20	DDGD	
CC(C)(C)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(F)(F)F	584971100	LGLWQVAXVHYUMX-LLVKDONJSA-N	317.116	1.463	50	20	DDGD	
COC1CCC(C)(CNCc2ccc(B(O)O)cc2F)CC1	585039363	SSMADGPKXUHOLF-UHFFFAOYSA-N	309.190	1.190	50	20	DDGD	
CC(Cc1ccccn1)=NNC(=O)[C@H](C)CN1CCOCC1	834932908	LUVVJIGNZDSTRP-CYBMUJFWSA-N	304.394	1.085	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(Oc2ccc(F)cc2)nc1	910138699	KRESUYFLKFMLGU-NSHDSACASA-N	319.336	1.970	50	20	DDGD	
COCCc1ccccc1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	831710876	ACGUOZBNRSZFJD-DGCLKSJQSA-N	321.377	1.453	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCC1CCCCCC1	836278954	LIBLCHQTCMPYAE-UHFFFAOYSA-N	304.394	1.925	50	20	DDGD	
O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NNC(=O)CC(F)(F)F	918703553	BXGQHCSKVSDQIN-UTCJRWHESA-N	317.223	1.708	50	20	DDGD	
NC(=O)COc1cccc(NC(=O)NNc2ccccn2)c1	916254683	JQTVUWJGMDPTQF-UHFFFAOYSA-N	301.306	1.094	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)Nc2c(C)nn(C)c2C)n1	841675297	HGLGDMCHJSSTSQ-UHFFFAOYSA-N	309.761	1.937	50	20	DDGD	
NCC[C@H](NC(=O)NNc1ncncc1Cl)C(F)(F)F	841333946	VHZDQYPOMKHPIC-LURJTMIESA-N	312.683	1.036	50	20	DDGD	
CCn1cncc1C=NNC(=O)[C@@H]1COc2ccccc2O1	841603267	GGIBLZOCRUEQRG-AWEZNQCLSA-N	300.318	1.193	50	20	DDGD	
COCCOCC(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	748624772	ZYPLEAHANGJCLY-UHFFFAOYSA-N	317.267	1.683	50	20	DDGD	
O=C(NNC(=O)[C@@H](C[C@H]1CCCO1)C(F)(F)F)C1CCC1	845481682	CNBSNAIBYQLPLV-NXEZZACHSA-N	308.300	1.682	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1ccn(-c2ccccc2)n1	919658832	NJTMJUAZTCGQGF-UHFFFAOYSA-N	315.377	1.749	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC[C@@H](N)C(C)C)cc1F	841944373	GHVXTSGOKKNRFE-GFCCVEGCSA-N	312.345	1.222	50	20	DDGD	
Cc1c(C(=O)NN(C)C[C@@H](C)O)ccc(Br)c1F	910138920	MSJGTJVOKYETQH-SSDOTTSWSA-N	319.174	1.854	50	20	DDGD	
CC(CCc1ccccc1[N+](=O)[O-])=NNC(=O)N1CCOCC1	741460584	RXPXRXGBQAIVEQ-UHFFFAOYSA-N	320.349	1.945	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)c2cnc(C)n2C)cc1	911877008	ISWIIOGZWOTLQH-UHFFFAOYSA-N	302.334	1.201	50	20	DDGD	
COc1ccc(-c2cc(C(=O)NN(C)C[C@@H](C)O)n[nH]2)cc1	910168053	ZEJNFQTYBMSUDW-SNVBAGLBSA-N	304.350	1.043	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C(C)(C)Oc1ccc(F)cc1	843649809	XQQDDXKXOBAARD-GWCFXTLKSA-N	324.352	1.556	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	748718338	UZPPASJCMMMGJW-ZETCQYMHSA-N	314.729	1.606	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCSCc1ccccc1	843654376	HNZVAVZHMGWNOH-JSGCOSHPSA-N	322.430	1.882	50	20	DDGD	
O=C(NNC(=O)c1ncccn1)N[C@H]1CCCCC12CCCC2	841587052	FBUJEVFQJSOXDE-LBPRGKRZSA-N	317.393	1.924	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)C(=O)N2CCCC2)C1(CC)CC	748248276	CJBOUFWSHUZXLL-CYBMUJFWSA-N	309.410	1.696	50	20	DDGD	
C[C@@H](CN)CNC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	841963903	XBTXVHYOXXFZFM-UWVGGRQHSA-N	324.450	1.412	50	20	DDGD	
O=C(NN=C1C(=O)Nc2ccccc21)Nc1ccc(C(=O)O)cc1	743445003	ZDOPBRVGFKOARP-UHFFFAOYSA-N	324.296	1.863	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@@H]1CCc2ccccc2C1	845297737	XDKSABDCABCWLN-CQSZACIVSA-N	313.357	1.915	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2ccnc(F)c2)c1	745474992	RHGDYTMXKNUMOC-UHFFFAOYSA-N	303.293	1.369	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1snc(Cl)c1Cl	846275778	JYUNFOAUBMRROH-RFZPGFLSSA-N	324.189	1.636	50	20	DDGD	
O=C(NCC1CC1)NN=Cc1ccccc1N1CCOCC1	920828803	SPHRBFYTIXIZSB-UHFFFAOYSA-N	302.378	1.566	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)O)C2(C)C)nn1	848594899	BJSGOWRMKUMSTO-GARJFASQSA-N	321.381	1.547	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)N[C@@H]1CC(=O)N(C2CC2)C1	921343483	RRZRDNKMQRRVAS-SECBINFHSA-N	310.304	1.354	50	20	DDGD	
Cc1cc(=NC(=O)NNC(=O)Cc2ccccc2F)c(C)c[nH]1	757810089	GJKAFWDQTPRSNO-UHFFFAOYSA-N	316.336	1.655	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc2c(c1)COC2)C1CC1	751621611	YSQOMPHMNCHXCV-VIFPVBQESA-N	305.403	1.624	50	20	DDGD	
CCCNC(=O)c1cccc(NC(=O)NNC(=O)COCC)c1	755797895	PKBWGLIFVHZIBA-UHFFFAOYSA-N	322.365	1.016	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)Nc1ccon1	757858355	VPEBLRSRJBYEQT-UHFFFAOYSA-N	308.319	1.325	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCN[C@H](C(C)C)C1	856485796	QOZDXELWOIXYGA-ZDUSSCGKSA-N	312.845	1.809	50	20	DDGD	
O=Cc1cc(C(=O)NNC(=O)COc2ccccc2O)cs1	755003665	ZOEWWTUPHBBDCD-UHFFFAOYSA-N	320.326	1.106	50	20	DDGD	
CC1(C)CCC[C@@H](C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1	752728127	VPORUEUSRILKEU-NEPJUHHUSA-N	315.439	1.675	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@H]1CCCS(=O)(=O)C1	853953477	LJBFTHBRRGLKPZ-NSHDSACASA-N	315.370	1.337	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](c1nccn1C)C(C)(C)CO	855113086	QUBBHEOTALTAHX-LMMOQWNQSA-N	306.366	1.040	50	20	DDGD	
Cc1noc(C)c1S(=O)(=O)NC[C@@]1(C)C[C@H]1Br	856756492	PYCOUTARULJZTO-PSASIEDQSA-N	323.212	1.743	50	20	DDGD	
C#C[C@](C)(CC)NCC(=O)NNC(=O)c1cccc(Cl)c1	852102472	XYRQMBPHZKNWMY-OAHLLOKOSA-N	307.781	1.493	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)[C@@H]1CCc2n[nH]cc2C1	757880220	FKQCSHIGYYQYNM-LLVKDONJSA-N	307.357	1.628	50	20	DDGD	
C[C@]1(CNC(=O)CCCn2cncn2)C[C@@H]1Br	857401501	ZFBZLMAPJATSJN-GXSJLCMTSA-N	301.188	1.348	50	20	DDGD	
COCCc1nc(CN(C)NC(=O)OCc2ccccc2)no1	859386640	XKOOROYTOJNWJV-UHFFFAOYSA-N	320.349	1.532	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)CCCC(=O)C1CC1	854286009	LKVCPODMTYHFOD-UHFFFAOYSA-N	315.439	1.010	50	20	DDGD	
C[C@@H](c1ccccc1)[C@@H](C)NC(=O)NNC(=O)c1cn[nH]c1	858266712	LRKWAPJHJYEFMN-GHMZBOCLSA-N	301.350	1.546	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]21	854479464	UJNPSOANQWJZBQ-AEJSXWLSSA-N	307.221	1.943	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cccnc1N1CCCCC1	854925977	RJLRGCXVPWECPU-UHFFFAOYSA-N	307.423	1.153	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)NC[C@]1(C)CCC(=O)N1	922804373	AFCVPKDTCPFRGL-AWEZNQCLSA-N	310.785	1.943	50	20	DDGD	
CN(C)[C@@H](C(=O)NNC(=S)NCC1CCC1)c1ccccc1	855090923	VGWYZKMWZZIEEC-CQSZACIVSA-N	320.462	1.585	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=O)c2cccc(F)n2)C1	857870860	IRZKBYLALLIVOA-PSASIEDQSA-N	317.324	1.071	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)c1C	855627458	OSFCIIQVXICYQO-MPKXVKKWSA-N	304.346	1.792	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@H](C)COCC1CCCCC1	932422701	LFZQYQVYMRWVMF-CYBMUJFWSA-N	313.442	1.365	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1)c1cc[nH]n1	855356754	XMCLSAZLUSGLAZ-ZIAGYGMSSA-N	312.373	1.830	50	20	DDGD	
O=C(C[C@H]1CC(=O)N1)NNc1cc(F)ccc1Br	854940522	SSTLLGZUEZGEPV-SSDOTTSWSA-N	316.130	1.310	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCN(C)c2ccccc21	750771770	IOLFFTHKQWBLAN-GFCCVEGCSA-N	313.361	1.103	50	20	DDGD	
CO[C@H](C=NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C)C1CC1	853377839	HHGNZQCAUQCFAL-BPLDGKMQSA-N	320.393	1.415	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC)c1ccc(Br)cc1	858748777	YTLYRHFJVCDPPE-SNVBAGLBSA-N	314.183	1.903	50	20	DDGD	
COC[C@@H](N[C@H](C)C(=O)NNC(=O)CC(C)C)c1ccco1	754339184	IQMAJWCLRSHJDU-VXGBXAGGSA-N	311.382	1.139	50	20	DDGD	
CC(=O)Nc1cc(F)ccc1C(=O)NNC(=O)C1CCCC1	864845477	VZXMLVJHHLCREH-UHFFFAOYSA-N	307.325	1.735	50	20	DDGD	
CC[C@H](CC(=O)NNC(=O)Cc1cc(C)[nH]n1)c1ccccc1	869011950	AFRUGKNSVJMJIH-CYBMUJFWSA-N	314.389	1.992	50	20	DDGD	
O=C(CCCOC1CCOCC1)NN=c1cc[nH]cc1Cl	867434650	VHGXABGVBLHABT-UHFFFAOYSA-N	313.785	1.576	50	20	DDGD	
C[C@H](OC[C@H]1CCCCO1)C(=O)NNc1nc2ccccc2[nH]1	768505798	WYNYIDOPRQUBFZ-NWDGAFQWSA-N	318.377	1.980	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCSC1)c1cc(-c2ccccc2)on1	761847813	CKCRVKZQQDMRPL-LLVKDONJSA-N	317.370	1.856	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1sccc1OC	769790402	KXQFWPKEMSAZEL-UHFFFAOYSA-N	311.407	1.902	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccc(C2OCCO2)c1	766825632	WYKDVOOMBCNOGR-UHFFFAOYSA-N	307.350	1.476	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cccc(OCC(C)C)c1	763431079	QAKHVFBINZVBIY-UHFFFAOYSA-N	307.350	1.217	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NN[C@@H](C)C(F)(F)F	862313809	OPJCIQSAELMIDX-QMMMGPOBSA-N	312.723	1.924	50	20	DDGD	
CC(C)CN1C[C@H](C(=O)NNc2nc3ccccc3[nH]2)CC1=O	768508200	ZJZDVPUQQSJVMU-LLVKDONJSA-N	315.377	1.511	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1nc2ccccc2s1	863144967	CNWDLHJXBALYCE-JTQLQIEISA-N	302.359	1.415	50	20	DDGD	
C[C@@H]1CCC[C@H]1CC(=O)OCC(=O)NNC(=O)c1cccs1	769175203	FGKVMGXUCXNAGU-MNOVXSKESA-N	324.402	1.879	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@H]2CCC(C)(C)C2)n1	769010598	CMHGKOYURCKZMG-LBPRGKRZSA-N	307.398	1.409	50	20	DDGD	
CC(C)=CC(=O)OCC(=O)NNC(=O)Cc1ccccc1C	767244695	UTMGUENTRWWKHC-UHFFFAOYSA-N	304.346	1.194	50	20	DDGD	
Cc1cnc(C2CCN(CC(=O)NNC(=O)C3CC3)CC2)s1	763952257	KMBIIYXXXKKWNE-UHFFFAOYSA-N	322.434	1.188	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ncc(C(N)=O)cc1Cl	1116412680	FIXRUUDINODUKA-UHFFFAOYSA-N	312.757	1.031	50	20	DDGD	
Cc1ccn2ncc(C(=O)NNC(=O)c3ccccc3F)c2c1	766821422	QFIAVIMWSIFHOD-UHFFFAOYSA-N	312.304	1.857	50	20	DDGD	
N#CC1=CCN(C(=O)C[C@@H](NC(N)=O)c2cccs2)CC1	767176760	JVIXJPLMLYRRHF-LLVKDONJSA-N	304.375	1.530	50	20	DDGD	
COc1ccc2c(c1)CC[C@H](C(=O)NNC(=O)C1CCC1)C2	878807569	PZNKRIABBFJEJL-AWEZNQCLSA-N	302.374	1.748	50	20	DDGD	
O=C(NCC(F)(F)F)NN=Cc1ncc(C2OCCO2)s1	773053941	JCCQPUOSHYHWJP-UHFFFAOYSA-N	324.284	1.384	50	20	DDGD	
CC(=NNC(=O)CS(C)(=O)=O)c1ccc(C2CCC2)cc1	872393822	IRPNCJUZYIKOHR-UHFFFAOYSA-N	308.403	1.839	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc2c(OC)nccc12	879850626	CGQGFMZXPYFHHQ-UHFFFAOYSA-N	317.349	1.941	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1ccc(-n2ccnc2)nn1	771701551	PRNQPIKQMHNUST-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1n[nH]c2c1CCCC2	874956794	OVQZRFWTXVUBTG-UHFFFAOYSA-N	316.390	1.315	50	20	DDGD	
N#CC1=CCN(CC(=O)NNC(=O)c2cccc(Cl)c2)CC1	779588944	DKBZTVUZETWXNR-UHFFFAOYSA-N	318.764	1.257	50	20	DDGD	
CC(C)C[C@H](NCC(=O)NNC(=O)C1CC1)c1ccccc1	774813307	AZUTXQZWILOKHE-HNNXBMFYSA-N	303.406	1.921	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)c1cncc(O)c1	771743572	CLUHSIJKVPZXHJ-UHFFFAOYSA-N	309.123	1.702	50	20	DDGD	
Cc1nc([C@H](C)NC(=O)NNC(=O)Cc2ccc(F)cc2)no1	1117318221	OQUGWPYFBIEASM-QMMMGPOBSA-N	321.312	1.151	50	20	DDGD	
CC(C)(C#N)CC(=O)NNC(=O)c1nc2ccccc2s1	874914205	OFSFFEWERWHXRH-UHFFFAOYSA-N	302.359	1.997	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(C)C[C@H]1CCCC[C@@H]1O	778246915	SIGTTWKVRZWBPJ-MJBXVCDLSA-N	313.442	1.051	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc2cc[nH]c12	773495942	HMAQXCPBYKIHPH-SECBINFHSA-N	302.334	1.300	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1cc(Cl)ccc1O	872403844	URVOIEUHUFDIIZ-UHFFFAOYSA-N	300.742	1.549	50	20	DDGD	
N#Cc1cccc(NNC(=O)NC[C@@H]2COC3(CCCC3)O2)c1	774313669	QYUJOHRQGAMKNV-CQSZACIVSA-N	316.361	1.870	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C2(O)CCCC2)c(C)c1	873759302	OPTKZQFSIAEHNF-UHFFFAOYSA-N	307.419	1.926	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1c[nH]nc1-c1cccc(C)c1	779823440	QAWPMBMFDHPRAA-UHFFFAOYSA-N	315.333	1.191	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CC[C@]2(C1)C(=O)Nc1ccccc12	779194730	YLSGRFBEJYKXSJ-XSLBHYSZSA-N	311.341	1.553	50	20	DDGD	
COc1cc(C=NNC(=O)c2cnn(C)c2)ccc1[N+](=O)[O-]	770605336	LSWROUPWKQQEJI-UHFFFAOYSA-N	303.278	1.101	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1nc2cc(Cl)ccc2n1C	777690183	ICNWSGYFIBKWGW-UHFFFAOYSA-N	323.784	1.713	50	20	DDGD	
CNC(=O)CCCCC(=O)NNC(=O)c1c[nH]c2ccccc12	779725376	YTCADAFMHUQDBZ-UHFFFAOYSA-N	316.361	1.235	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CC[C@H]2CC[C@H](C)O2)cc1O	882048541	BOIHDZBHJQUFIF-WCQYABFASA-N	306.362	1.809	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1c(Cl)cccc1Cl	779822900	ISEZEDIHHLBOLW-UHFFFAOYSA-N	304.133	1.800	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1nccc2ccccc12	772053749	JALLPKKEWQHKPZ-JTQLQIEISA-N	315.329	1.338	50	20	DDGD	
CS[C@H](CNC(=O)NNC(=O)C1CCOCC1)C(C)(C)C	883563975	DIKJWPHZKAMDGQ-LLVKDONJSA-N	317.455	1.521	50	20	DDGD	
CC(C)[C@H]1CCC[C@H](NC(=O)NNC(=O)C2CCOCC2)C1	883325842	LDWLFOGZJZPEJD-KBPBESRZSA-N	311.426	1.958	50	20	DDGD	
COc1cccc(NNC(=O)Nc2c(Cl)c(C)nn2C)n1	888646559	JBBQKACQXHCICS-UHFFFAOYSA-N	310.745	1.934	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NNc1ccnc(F)c1	781358223	DLCNYOSCQOUWCJ-NSHDSACASA-N	308.357	1.701	50	20	DDGD	
Cc1cccnc1[C@H](C)NC(=O)NNC(=O)[C@H]1CCCCO1	1122392919	ZPIUSQQWVGMORM-NWDGAFQWSA-N	306.366	1.351	50	20	DDGD	
COc1cc(C(=O)NNc2ncccn2)cnc1Br	788498045	UOYYSJLTJDESGW-UHFFFAOYSA-N	324.138	1.400	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H](C)Cc2cccnc2)n1	898327087	ZWAAJCHDOBPUSK-GFCCVEGCSA-N	313.361	1.360	50	20	DDGD	
Cn1ncc(C(=O)NNC(=S)NC(C)(C)C)c1-n1cccc1	899993267	UXEIPJUFOWMLDN-UHFFFAOYSA-N	320.422	1.118	50	20	DDGD	
O=C(CC(=O)NNc1cccnc1Cl)NCC(F)(F)F	789904701	IQUYITNIFVYSMK-UHFFFAOYSA-N	310.663	1.247	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCCOC(F)(F)F	788837913	ZHUCZQCECMPEFJ-UHFFFAOYSA-N	319.283	1.486	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1c(Cl)cc(F)cc1Cl	797814669	ATJBTYXJUNYSBO-UHFFFAOYSA-N	315.153	1.852	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)COc1cc(C)ccc1C	792797365	LLJSIOKEKLNYQD-WBMJQRKESA-N	322.405	1.891	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1[nH]c(-c2ccccc2)nc1C	798305897	KWPHMBUUUMDBSE-UHFFFAOYSA-N	315.402	1.680	50	20	DDGD	
C=C[C@H](CC)CC(=O)NNc1nccc(N2CCOCC2)n1	896662932	DTLUYAIZYZFWCR-GFCCVEGCSA-N	305.382	1.359	50	20	DDGD	
CC[C@H](O)[C@@H](C)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	899942670	ORZCWDXBMJQKCV-LJVYNOFUSA-N	308.422	1.757	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)C(=O)Nc2cccc(F)n2)c1	793048770	LEDOOHOJOWFPIX-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
C[S@@](=O)c1ccc(CC(=O)NNC(=O)CC(F)(F)F)cc1	798108286	OEHJVXJUEIQPLL-OAQYLSRUSA-N	322.308	1.066	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cccnc1-n1cccn1	791258602	SGZGKDPRKNSZJV-UHFFFAOYSA-N	320.316	1.067	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)C(=O)Nc2cncc(F)c2)c1	799261235	UESKKLODDRIIBA-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
CCn1nc(C)c(NC(=O)C(=O)NNc2ncccc2C)c1C	792375640	KANBMLIXSQTXPK-UHFFFAOYSA-N	316.365	1.305	50	20	DDGD	
CCOc1cc(/C=C(\C#N)S(N)(=O)=O)cc(Cl)c1OC	798231095	FPHYYUBVRRZFBD-RUDMXATFSA-N	316.766	1.900	50	20	DDGD	
COCc1ccccc1NC(=O)C(=O)NNc1ncccc1C	792378820	XPVGQQYXZWQPHL-UHFFFAOYSA-N	314.345	1.618	50	20	DDGD	
C[C@@]1(CCC(=O)NNc2cccc(F)c2[N+](=O)[O-])CCC(=O)N1	791071058	WALINMZXIFJVMA-AWEZNQCLSA-N	324.312	1.626	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1cnn(C(C)C)c1C	790178617	FGUJMJNBIGFXQB-UHFFFAOYSA-N	306.414	1.453	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2nncc(N)c2Cl)nn1C	1319240534	HYOGLORUTMOCBB-UHFFFAOYSA-N	309.761	1.326	50	20	DDGD	
C[S@@](=O)C1(CNS(=O)(=O)CCCCCl)CCC1	393746163	PWKBTZLCXKJDQB-MRXNPFEDSA-N	301.861	1.226	50	20	DDGD	
OB(O)[C@H]1CCN(Cc2cc(Br)ccc2F)C1	585077799	YFXRHNQYNOHLSD-VIFPVBQESA-N	301.952	1.637	50	20	DDGD	
Cc1csc([C@@H](C)C(=O)NNc2nncc(N)c2Cl)n1	1328195131	REYAUVQPVADNCU-LURJTMIESA-N	312.786	1.724	50	20	DDGD	
CC(=NNC(=O)C[n+]1ccccc1)c1nc2c(s1)CCCC2	1322447207	YOECTYCVVDHWLN-UHFFFAOYSA-O	315.422	1.850	50	20	DDGD	
COc1cc(F)cc(NC(=O)NNC(=O)c2ccccn2)c1	1323844990	MKMUSCPKAIMCKP-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
Cn1ccc(C(=O)NNc2cncc(Br)c2)cc1=O	1323068119	VUSKKFDDHMNZDT-UHFFFAOYSA-N	323.150	1.300	50	20	DDGD	
Nc1cnnc(NNC(=O)NCCC[C@@H]2CCOC2)c1Cl	1324597370	CYORLKJHVSBKMQ-MRVPVSSYSA-N	314.777	1.155	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1c(C)noc1C	1326751563	KLGJIFNHTFXAPF-WCQGTBRESA-N	324.381	1.498	50	20	DDGD	
Cc1cc([C@@H](C)NC(=O)NNC(=O)C2CCNCC2)c(C)s1	1327471530	WLMACQGGNMENHQ-SNVBAGLBSA-N	324.450	1.756	50	20	DDGD	
COCc1nc(C)c(C(=O)NNc2ncnc3[nH]cnc23)s1	1253723347	FKCKOIXKYCFNRN-UHFFFAOYSA-N	319.350	1.021	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccc(C(C)(C)C)nn1	1337987151	HXSLUKDQCXKEGX-UHFFFAOYSA-N	317.353	1.721	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(-c2nc(C)no2)cc1	1333529746	ZUCDUSVISACAPR-UHFFFAOYSA-N	312.329	1.610	50	20	DDGD	
O=C(CN1CCC(CO)CC1)NNc1ccc(F)c(Cl)c1	1336046781	UYPJHURDSJNDJB-UHFFFAOYSA-N	315.776	1.627	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@H](C)c1cccc(C2CC2)c1	1330865996	XWAWWQCQJVSJPG-SECBINFHSA-N	305.334	1.128	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)c1cn(C2CCOCC2)nn1	1331166959	YYYSZUQMAVWRQZ-UHFFFAOYSA-N	324.291	1.060	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccn(C)n1)N(C)C(=O)OC(C)(C)C	1331121900	YUILFLDVGXXGOH-JTQLQIEISA-N	311.386	1.509	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@@H]2C[C@@H](C)O[C@H]2C)cc1	1348482921	NUPGKXGXFWZNLV-MDZLAQPJSA-N	321.377	1.453	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@]1(C)CC(C)(C)OC1=O	1347521516	KCBDEVKRBPLCPC-INIZCTEOSA-N	319.361	1.423	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)Cc2cccc(C(=O)O)c2)CC1	1601058164	IPZPQUNTUXVXJO-UHFFFAOYSA-N	306.343	1.370	50	20	DDGD	
O=C(NCc1ccnc(F)c1)NNc1ccc(C(=O)O)cc1F	1601545294	BIEORJDLNZXYKZ-UHFFFAOYSA-N	322.271	1.884	50	20	DDGD	
C[C@@H](CC(=O)O)CC(=O)NNc1ccc(C(F)(F)F)nn1	1604106294	MGMUQUJBMXIOJR-ZCFIWIBFSA-N	306.244	1.439	50	20	DDGD	
Cn1nc(C(=O)NNc2ccc(C(=O)O)cn2)cc1C(F)F	1608141036	PCLDLCODERVMFG-UHFFFAOYSA-N	311.248	1.208	50	20	DDGD	
O=C(O)c1cccc(C(=O)NNc2nccnc2C2CCC2)n1	1602433189	GNDPMEGBSRFXIK-UHFFFAOYSA-N	313.317	1.594	50	20	DDGD	
C[C@H]1CC[C@@H](CNC(=O)NNc2ccc(C(=O)O)c(F)c2)O1	1609847801	MGSGJPXSFRKJAO-WPRPVWTQSA-N	311.313	1.718	50	20	DDGD	
Cc1c(NNC(=O)c2cc3n(n2)CCC3)cccc1C(=O)O	1600054318	TVTBRHAFXOBWCS-UHFFFAOYSA-N	300.318	1.593	50	20	DDGD	
C[C@@H]1CCCc2ncc(C(=O)NNc3ccc(C(=O)O)cn3)n21	1604740096	MEHZMRHFKMLZKE-SECBINFHSA-N	315.333	1.631	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=C1CCC[C@@H](C(=O)O)C1	1608219236	PCFIYQVMJWHRSR-LLVKDONJSA-N	315.329	1.684	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCO[C@H]1c1nccn1C)c1cnc[nH]1	1549315803	MSKVAOFRYCYPAC-WCQYABFASA-N	316.365	1.151	50	20	DDGD	
CC[C@@H]1CC(=NNC(=O)[C@@H]2CCCO[C@@H]2c2ccnn2C)CO1	1549315970	PNZKFKKDMPJRBO-NFAWXSAZSA-N	320.393	1.559	50	20	DDGD	
CC[C@@H]1C[C@H](C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)CCO1	1549319361	HQIJLVBKPUDARM-BARDWOONSA-N	309.410	1.157	50	20	DDGD	
Cc1cccc(C)c1C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549315403	BISGBAMVYNFLEY-HOCLYGCPSA-N	301.390	1.617	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=COCC1)[C@H](F)Cl	1803287861	YYLCESPHYJYEPJ-USZNOCQGSA-N	316.760	1.463	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@H]2CCCCN2)c1	1573864203	WTPRIGBBCASQGR-CYBMUJFWSA-N	305.382	1.365	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)CC(C)(C)O)C1	1842782875	XIJFXCORLKIQGL-NSHDSACASA-N	316.829	1.368	50	20	DDGD	
CC(=NNC(=O)C(=O)O)c1ccc(OCC(F)(F)F)cc1	1589011404	XESARHKWVOTPEH-UHFFFAOYSA-N	304.224	1.553	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)C2=CCCC2)C1	1842601298	JJTCWBGZCAYKFQ-NSHDSACASA-N	300.761	1.835	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1ccnnc1)C2	1845163978	FAYKGGBCBQTTPV-GFCCVEGCSA-N	322.796	1.311	50	20	DDGD	
O=S(=O)(CCCCCl)Oc1ccccc1-c1nn[nH]n1	1593418432	CBJVLQDGXAIFEP-UHFFFAOYSA-N	316.770	1.594	50	20	DDGD	
COc1ccc(OC)c(C(=O)NNc2ccc(C(=O)O)cn2)c1	1599603355	WBKSIVIVZQXBKZ-UHFFFAOYSA-N	317.301	1.554	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](C)c1ccc(OCC(=O)O)cc1	1596863660	RDDJJPXJGJEBSV-NASPGAHYSA-N	318.329	1.771	50	20	DDGD	
CC[C@H](C)[C@H](NNC(=O)Cn1ccc2ccccc21)C(=O)O	1594922424	ZPEQTFAMAROPCQ-NHYWBVRUSA-N	303.362	1.761	50	20	DDGD	
C[C@H]1CC[C@@H](CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)O1	1590229952	MTOYHVRMXYASJG-CABZTGNLSA-N	317.353	1.060	50	20	DDGD	
CCCCS(=O)(=O)/C(C#N)=C/c1ccc(-c2nn[nH]n2)cc1	1590611563	MXQGYEQBEXCFBU-UKTHLTGXSA-N	317.374	1.946	50	20	DDGD	
Cc1ncc(C(=O)O)cc1NS(=O)(=O)CCCCCl	1777529049	HZOWIHHXQLLXJN-UHFFFAOYSA-N	306.771	1.849	50	20	DDGD	
O=C(NN=C1CCc2cccc(C(=O)O)c21)c1cnsn1	1776105198	RXLBGAQNMJUSGX-UHFFFAOYSA-N	302.315	1.317	50	20	DDGD	
CC[C@@H](NC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl	1796805875	CGKQMNHJDYXDON-IYKVGLELSA-N	319.808	1.157	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)c1cccc(Br)c1	11217682	XJENOGRSPWEKHQ-UHFFFAOYSA-N	321.134	1.314	50	20	DDGD	
C#CCOc1ccccc1/C=C(\C#N)C(=O)NC[C@H]1CCCO1	6209775	XTKXAWTWKGKVSC-RBFDBLARSA-N	310.353	1.901	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(-c3cccs3)n[nH]2)no1	152198854	KTUGBTZSAPUUEG-UHFFFAOYSA-N	317.330	1.509	50	20	DDGD	
Cc1cccc(OCCCC(=O)NNC(=O)c2c[nH]nc2C)c1	109860265	BREZPZAXCQELKJ-UHFFFAOYSA-N	316.361	1.647	50	20	DDGD	
CCC[C@@H](C(=O)NNC(=O)C(=O)NC(C)C)c1ccccc1	8390403	JINLTFMSRUBJPH-CYBMUJFWSA-N	305.378	1.242	50	20	DDGD	
O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1CCCO1	103524305	PHFJJCRGTHZYLF-SNVBAGLBSA-N	320.317	1.305	50	20	DDGD	
C[C@@H]1CC[C@H](CCC(=O)NNC(=O)Cc2ccc(F)cc2)O1	175052718	MCXBIRMMPYOHON-BXUZGUMPSA-N	308.353	1.863	50	20	DDGD	
CC(C)[C@H](NC1CCOCC1)C(=O)NNC(=O)CC(C)(C)C	175988198	LRMPTRJHURIQLL-AWEZNQCLSA-N	313.442	1.363	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)NCCCO)c1C	303044052	DBIFZQMBWKVKMH-GDNBJRDFSA-N	305.378	1.157	50	20	DDGD	
CC(C)n1nccc1NC(=O)NNC(=O)Cc1ccncc1	177064453	YVYWBANAHUKQQX-UHFFFAOYSA-N	302.338	1.254	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCn1ccc2ccccc21	61528181	MUMVCDLJSGKTGD-UHFFFAOYSA-N	310.357	1.831	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2ccnn2C(C)C)n1	65774593	RZCYFEMEFKPZEU-UHFFFAOYSA-N	319.369	1.130	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@H]1CCCOC1	171026632	ZENSDNCZTYUWAC-VIFPVBQESA-N	312.753	1.536	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2ccccc2F)n1	175163777	SMOPTDMSTWDMMM-UHFFFAOYSA-N	305.313	1.759	50	20	DDGD	
Cc1nn(C)c(C)c1CNC(=O)NNc1cccc([N+](=O)[O-])c1	173488201	NNFVBWBUYJGGFC-UHFFFAOYSA-N	318.337	1.771	50	20	DDGD	
Cn1ncc(C(=O)NNc2nccnc2Cl)c1-n1cccc1	176161150	SIRINBCIJUYHLG-UHFFFAOYSA-N	317.740	1.411	50	20	DDGD	
CCNC(=O)NNC(=O)c1cccc(Cn2nc(C)cc2C)c1	126852690	RMLPOLRXAIJRML-UHFFFAOYSA-N	315.377	1.512	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2cccc(F)c2)cn1	120842048	GIFBFDXSODCPAL-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2ccc(Br)c(F)c2)N1	184260261	DEFPUXZFJXDOPE-VIFPVBQESA-N	316.130	1.310	50	20	DDGD	
O=C(NNc1cccc(F)c1)C(=O)Nc1ccc2c(c1)COC2	120936259	RIXKKVRQOMGGFV-UHFFFAOYSA-N	315.304	1.938	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1cccc(F)n1	126272137	DHIRHWULHWREJC-UHFFFAOYSA-N	323.711	1.958	50	20	DDGD	
O=C(NNS(=O)(=O)C1CC1)c1cccc(Br)c1	185616715	PEJHUTSMZPSCFY-UHFFFAOYSA-N	319.180	1.176	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc3ccccc3cc2O)ncn1	125540401	XGOFHSWFBRNBPS-UHFFFAOYSA-N	322.324	1.719	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	123133402	OZMRINLIFQCZIE-UHTWSYAYSA-N	309.410	1.711	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NNC(=O)NCc1ccco1	129887105	SZRRCRBQDCUGSG-TUAOUCFPSA-N	308.382	1.371	50	20	DDGD	
O=C(NC[C@H]1CCN(C2CC2)C1)NNC(=O)c1ccccc1	79459525	SSFUMTWRLUEVLR-GFCCVEGCSA-N	302.378	1.115	50	20	DDGD	
COCCCN(C)CCNC(=O)/C(C#N)=C\c1ccc(F)cc1	183344333	CHOZPPGCKQXKQE-QINSGFPZSA-N	319.380	1.817	50	20	DDGD	
CCCCOCC(=O)NNc1cccc(S(C)(=O)=O)c1	181146868	JAJHLPZVBATEFU-UHFFFAOYSA-N	300.380	1.350	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@H]2CC2(C)C)cc1OC	133685358	SSGIWNXLJQMRTA-LLVKDONJSA-N	306.362	1.901	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Cc1ccc(F)c(F)c1	87249425	VNVRJCDLOYDSMT-UHFFFAOYSA-N	305.284	1.292	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)SCc1ccc([N+](=O)[O-])cc1	131280016	DEYQJFFVTVHJCU-SECBINFHSA-N	311.363	1.774	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccc(C(F)(F)F)cn2)c1N	131677555	RAIPZYOQICKGBP-UHFFFAOYSA-N	300.244	1.173	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc(Cl)cc1F	132166008	OILLAPQEFXCDNU-NSHDSACASA-N	300.717	1.809	50	20	DDGD	
N#Cc1cccc(OCC(=O)NNC(=O)NCc2ccco2)c1	138882961	KKQVJIZMNUFDPD-UHFFFAOYSA-N	314.301	1.061	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)c2ccc(C)o2)c(C)c1	84461483	JDAJHCBTHANPIO-UHFFFAOYSA-N	308.359	1.828	50	20	DDGD	
O=C(NCCc1cnn(-c2ccccc2)c1)NNc1ncccn1	45424181	YIBITYVFLUHSPO-UHFFFAOYSA-N	323.360	1.531	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2c(C)nn(CCCl)c2C)o1	84373593	CBUAISFBRFITMT-UHFFFAOYSA-N	324.768	1.715	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)CCCCCl)c(O)c1	190734775	UCELXXVCKDCKSC-UHFFFAOYSA-N	320.798	1.284	50	20	DDGD	
O=C(NNc1ccc(F)cc1)[C@@H]1CCCN(C(=O)C2CC2)C1	195432169	NFLNTMGSCROYOG-GFCCVEGCSA-N	305.353	1.917	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2cccc([N+](=O)[O-])c2)o1	84291883	WVECDMMOWOABEU-UHFFFAOYSA-N	303.274	1.500	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2c(F)cc(F)cc2F)c1	190039908	JOQFGZZXGMCBOK-UHFFFAOYSA-N	324.262	1.889	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cccnc1OCC(F)F	90039631	UJWQVHQUEOILCY-UHFFFAOYSA-N	302.281	1.078	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](C)c2cnn(C)c2)s1	266636433	ZRXZQAVHQKBENA-VIFPVBQESA-N	307.379	1.495	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)COc2cc(C)cc(C)c2)O1	268259870	DRRDCPRVIAZFEM-ZFWWWQNUSA-N	320.389	1.787	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@@H](C)[C@@H]2CCOC2)c1	266620539	QYLMCJPCOBGRPR-QWHCGFSZSA-N	321.377	1.129	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCCOC1	263897358	AJCOTKKKEPNFQY-GFCCVEGCSA-N	322.361	1.038	50	20	DDGD	
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccc[nH]1	264170285	ZZENOKIIEXXDFJ-NSHDSACASA-N	324.381	1.325	50	20	DDGD	
Cc1ccc(SCC(=O)NNc2nccn(C)c2=O)c(C)c1	267219863	NLMXXPINCPKURQ-UHFFFAOYSA-N	318.402	1.633	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)COCc2ccccc2)C[C@H]1C	267803384	XKMUOCSYKOQCCC-CHWSQXEVSA-N	305.378	1.532	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](C)Oc2cccnc2)n1	266897334	GQXFVHWQMWUVBU-SNVBAGLBSA-N	303.322	1.099	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)CC(C)(C)C#N	278278276	PNAPFJSGNBSGOV-UHFFFAOYSA-N	319.361	1.551	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cc(O)ccc1C(F)(F)F	276540870	GDMVZMVRPBIXBY-UHFFFAOYSA-N	302.252	1.972	50	20	DDGD	
COCC(C)(C)C(=O)NNc1nnc(-c2ccccn2)s1	276410439	HWIYNIMBOUJHFA-UHFFFAOYSA-N	307.379	1.716	50	20	DDGD	
COCCOc1ccc(C(=O)NNC(=O)OC)c(Cl)c1	274682601	XKKIJVZYDYNDRT-UHFFFAOYSA-N	302.714	1.366	50	20	DDGD	
NNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(F)cc1F	270215834	KOYDNWBPGZTXDC-FZQKWOKYSA-N	323.343	1.728	50	20	DDGD	
CC(C)C[C@H](CO)NC(=O)NNC(=O)C(C)(C)c1ccccc1	272460721	RSPNLHIGUHZSKD-CQSZACIVSA-N	321.421	1.702	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)CCCc1ccccc1)C(C)C	282340580	UZYOMYVQLBSWDZ-HNNXBMFYSA-N	301.390	1.998	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)Cc1c(C)n[nH]c1C	281228435	MUFXAGOKRSDRCR-UHFFFAOYSA-N	301.350	1.730	50	20	DDGD	
O=C(NNc1ccccn1)Nc1cnn(C[C@@H]2CCCO2)c1	377183568	SCEQIEQGENJPQR-LBPRGKRZSA-N	302.338	1.606	50	20	DDGD	
CC(C)[C@]1(C)C[C@@H]1C(=O)NNc1ccc(-n2ccnc2)nn1	286706896	RNOGIHOAEHOSOL-ABAIWWIYSA-N	300.366	1.788	50	20	DDGD	
CSSCCNC(=O)c1cccnc1N1CCOCC1	283986720	HQPGXLGDLQFGFJ-UHFFFAOYSA-N	313.448	1.659	50	20	DDGD	
Cc1ccc2c(C(=O)NNC(=O)N3CCOCC3)csc2c1	280799261	LYBCCEASZUIWRK-UHFFFAOYSA-N	319.386	1.896	50	20	DDGD	
COC(=O)c1cc(NC(=O)NCCSSC)cn1C	285931082	VANLJIKODSRJTJ-UHFFFAOYSA-N	303.409	1.944	50	20	DDGD	
CCn1nc(C)c(NC(=O)NNC(=O)c2cccc(C)n2)c1C	281044042	OEARFGJXQHMDAD-UHFFFAOYSA-N	316.365	1.690	50	20	DDGD	
CSSCCNC(=O)NCc1ccc(N(C)C)nc1	284042986	OWSJDKIDGCPWCX-UHFFFAOYSA-N	300.453	1.958	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCc1c[nH]cn1)c1ccccc1	280630595	XHOIFDUZQGQKIC-CQSZACIVSA-N	300.362	1.684	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@H]2CCC(=O)[C@@H]2C)c(O)c1	280039007	LXZKOIGVOPWTQG-GHMZBOCLSA-N	304.346	1.467	50	20	DDGD	
CCOc1ccc(/C=C/C(=O)NNC(=O)[C@H]2CCCCO2)cc1	295829950	ZBXUCUJMNHCCLV-KUCQQTCKSA-N	318.373	1.815	50	20	DDGD	
C[C@@H](NC(=O)C1CCCC1)C(=O)NNC(=O)c1ccccc1F	298687130	YWSVSKXGIWZTPS-SNVBAGLBSA-N	321.352	1.282	50	20	DDGD	
CC(C)n1cnc(C(=O)NNc2ccc(-n3ccnc3)nn2)c1	804954812	JJTFNDRHXQKRHO-UHFFFAOYSA-N	312.337	1.197	50	20	DDGD	
C[C@@](O)(CCc1ccccc1)C(=O)NNC(=O)c1ccncc1	801101853	PXBAAJOBKCXEPK-QGZVFWFLSA-N	313.357	1.226	50	20	DDGD	
CC[C@@H]1CCC[C@H]1C(=O)NNC(=O)CNC(=O)c1cccs1	294407850	DKMSTDRKPGBRND-GHMZBOCLSA-N	323.418	1.452	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ccncn1)N1C[C@H](C)O[C@H](C)C1	295554873	UHGCBQKOKRUCHD-SCRDCRAPSA-N	307.398	1.054	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@@H]1OC[C@H]2COCC[C@H]21	290908704	MYIIHUPOMAUUOE-YRGRVCCFSA-N	318.377	1.239	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cc3n(n2)CCC3)n1	295070294	VXHNCNWIERGLDJ-UHFFFAOYSA-N	315.381	1.222	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2ncccc2F)c(F)c1	807300460	MWJZANQNRVEOBC-UHFFFAOYSA-N	317.255	1.313	50	20	DDGD	
O=C(CCc1ncc[nH]1)NNC(=O)Cc1ccc(Cl)cc1	806341095	ZTROBEBNCKYCHE-UHFFFAOYSA-N	306.753	1.386	50	20	DDGD	
O=C(CCn1cnc2ccccc2c1=O)NCC(Cl)Cl	808131501	XBMAOKLOCWYEMR-UHFFFAOYSA-N	314.172	1.707	50	20	DDGD	
O=C(CCCCN1CCOCC1)NNC(=O)Nc1ccccc1	801987185	VOAKNSYVGWKLAL-UHFFFAOYSA-N	320.393	1.342	50	20	DDGD	
CCNC(=O)N(C)NC(=O)N[C@@H](c1ccccc1)C(F)F	296941827	YSFPMCLFASXDHG-JTQLQIEISA-N	300.309	1.868	50	20	DDGD	
CCCN(NC(=O)CN(C)C(=O)C1CC1)C(=O)OC(C)(C)C	804595274	QDUVVYMVWFWAAS-UHFFFAOYSA-N	313.398	1.533	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@H](N2CCCC2)[C@H]1C	805767817	HKNTXBSXEQDBHH-ILXRZTDVSA-N	324.469	1.127	50	20	DDGD	
CCO[C@H](C)C(=O)NNc1nc2ccccc2c(=O)n1CC	298873743	PHQKCYFFDDPJNM-SNVBAGLBSA-N	304.350	1.285	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1cc2ccccc2c(=O)o1	806892120	CCOQEFCDXMKCQM-UHFFFAOYSA-N	322.284	1.216	50	20	DDGD	
Cc1cc(NNC(=O)c2ncn(C)n2)ccc1Br	810405557	DCBIOQVPLUDLJI-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
C[C@H](CN1CCCCCC1)C(=O)NN=Cc1cn(C)nc1O	814216651	VQIZVEYEMXJTRB-GFCCVEGCSA-N	307.398	1.088	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1ccc2c(c1)OCCO2	813470601	NROBNSZKWLQQKV-UHFFFAOYSA-N	302.290	1.252	50	20	DDGD	
Cc1c(C(=O)NN(C)C2CC2)nnn1Cc1ccc(F)cc1F	819651242	GUCRIDKSHSHXTQ-UHFFFAOYSA-N	321.331	1.652	50	20	DDGD	
C=C[C@H](O)C(=O)NNC(=O)c1sc(-c2ccccc2)nc1C	816827378	PMFBYIDDUOGKPT-NSHDSACASA-N	317.370	1.426	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1cc(F)c(N)c(F)c1	814761253	RUCMFVLTNQRAEI-UHFFFAOYSA-N	310.304	1.010	50	20	DDGD	
Cn1ncc2ccc(CNS(=O)(=O)CBr)cc21	812513182	NXKXXQIZQWQCBG-UHFFFAOYSA-N	318.196	1.345	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1ccc(CN(C)C)cc1	814865714	XILOHBAKYINZGL-AWEZNQCLSA-N	321.421	1.640	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCCSC2)cc1	813373778	HDDAUAPGZAIRSV-LLVKDONJSA-N	321.402	1.224	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1	819122895	KWEMEFPDUBLBGA-UONOGXRCSA-N	321.421	1.363	50	20	DDGD	
CCNC(=O)NNC(=O)CCCOc1ccc(C(C)=O)cc1	729343148	IKWHRPFLXSPRJC-UHFFFAOYSA-N	307.350	1.399	50	20	DDGD	
Cn1nc(C(=O)NN=C2CCC[C@@H](C#N)C2)c2ccccc2c1=O	814740546	PKGIDRVYQHSQJI-LLVKDONJSA-N	323.356	1.733	50	20	DDGD	
N#C/C(=C\c1cc(-c2nn[nH]n2)cs1)C(=O)N=c1cc[nH]cc1	826378852	BSEJZPOVRGKSQR-WEVVVXLNSA-N	323.341	1.291	50	20	DDGD	
CCN(CCO)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CC1(C)C	823897594	HGOJWLLDJKFCSI-OAHLLOKOSA-N	300.399	1.090	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)C(C)C)c1cc(F)ccc1F	828693288	QCMFUFARIYXNOA-CYBMUJFWSA-N	313.348	1.809	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1ccc(F)cc1OC	496231248	BWTHBXRLYSTBSO-UHFFFAOYSA-N	313.329	1.804	50	20	DDGD	
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)/C(C#N)=C/c1cnn(C)c1	491176860	SDPVWHJIFPGGLL-HVJILKDESA-N	313.405	1.412	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	496585054	GUNKMVVTYZFVQR-UHFFFAOYSA-N	324.381	1.253	50	20	DDGD	
CSC[C@@H](C)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	494974051	VEQXGRFUOZHAOU-SECBINFHSA-N	319.427	1.048	50	20	DDGD	
COC(=O)c1coc(/C=C(\C#N)C(=O)Nc2ccn(C)n2)c1	490906589	DLVUCWMPIGNHFL-WEVVVXLNSA-N	300.274	1.345	50	20	DDGD	
CCN(CCO)NC(=O)/C=C\c1ccccc1OC(F)(F)F	823846352	IUQYMLLQLBIZIE-FPLPWBNLSA-N	318.295	1.944	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(OC)cc1OCC(C)C	823879626	PYNUBMMUONBPKT-UHFFFAOYSA-N	310.394	1.689	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNC(=O)COc1cc(C)cc(C)c1	820630261	LIVIJRCVURXWDA-CQSZACIVSA-N	317.389	1.815	50	20	DDGD	
COCC[C@H](NCc1ccccc1B(O)O)c1ccc(C)o1	585034031	MNYWBBWBEKPWFV-HNNXBMFYSA-N	303.167	1.135	50	20	DDGD	
CC[C@@H]1Cc2ccccc2CN1CC(=O)NNC(=O)C(C)C	828904837	RPYOAZXIHLIGAG-OAHLLOKOSA-N	303.406	1.627	50	20	DDGD	
CC[C@@H](Cc1cccc(C)c1)C(=O)NNC(=O)c1cn[nH]c1	824857334	SSRTYUYIPKUREQ-ZDUSSCGKSA-N	300.362	1.748	50	20	DDGD	
O=C(N[C@H]1C[C@H]2CCCc3cccc1c32)c1cccc(B(O)O)c1	584969592	OCIBFEINHSSYHP-DYVFJYSZSA-N	321.185	1.661	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)Cc1ccc(C)c(C)c1	726075981	RKXCBVHCRJPOJE-UHFFFAOYSA-N	323.462	1.720	50	20	DDGD	
CCc1sc([C@@H](C)NC(=O)c2ccc(B(O)O)cc2)cc1C	584964286	BDEGQPQLRJBIIX-LLVKDONJSA-N	317.219	1.790	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NNC(=O)Nc1ccc(OC)cc1	490943513	RVNLBMJKDQEKIH-KTKRTIGZSA-N	304.306	1.292	50	20	DDGD	
CCC(=NNC(=O)c1ncon1)c1ccc2c(c1)OCCO2	901286801	YPTTWTRZIZLLES-UHFFFAOYSA-N	302.290	1.385	50	20	DDGD	
CC(C)CN(CC(=O)NNC(=O)C(C)C)Cc1ccccc1	827568198	MUQQZRDCHWDJAX-UHFFFAOYSA-N	305.422	1.948	50	20	DDGD	
O=C(Cn1nc(C(F)F)cc1C(F)F)NNc1ccncn1	821115211	ICQTVXBJLYLMRL-UHFFFAOYSA-N	318.234	1.692	50	20	DDGD	
CC(C[C@@H](C)NC(=O)OC(C)(C)C)=NNC(=O)c1ncccn1	496844296	DPIVYVBBRCQKHC-SNVBAGLBSA-N	321.381	1.886	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1ccc(C#N)cc1F	494436685	ZVPQDUUCVUUHDX-UHFFFAOYSA-N	320.324	1.672	50	20	DDGD	
O=C(c1cccc(Oc2ccncc2)c1)N1CC[C@H](B(O)O)C1	585069594	NRGNKUUHDUATSR-ZDUSSCGKSA-N	312.134	1.563	50	20	DDGD	
Cc1ccc(C(=O)N[C@@H](C(=O)NN(C)[C@H](C)CO)C(C)C)cc1	823988715	VWSKVLGIFFTHNU-UKRRQHHQSA-N	321.421	1.093	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(C)cc(Cl)n1	909691355	URJXHEDNBCWZQO-MRVPVSSYSA-N	313.741	1.146	50	20	DDGD	
COC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)OC(C)(C)C)C1	493138412	JHZZFDAICSZVAV-ZJUUUORDSA-N	300.355	1.522	50	20	DDGD	
COc1cccc(NNC(=O)/C=C/c2cnc(OC)nc2)n1	492700370	CBYRXDKPJXFJRW-VOTSOKGWSA-N	301.306	1.045	50	20	DDGD	
CS[C@@H](C)CNC(=O)NNc1cccc(-c2nn[nH]n2)c1	826226364	YFZVKRPAHPINLW-QMMMGPOBSA-N	307.383	1.244	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H]2CCCC[C@@H]2C(F)(F)F)o1	585031509	WJVSSXMYKUBKRK-ONGXEEELSA-N	305.105	1.418	50	20	DDGD	
O=C(NN=Cc1c(F)cccc1N1CCCC1)c1ncon1	901285675	IWWFHTIFLLPIMG-UHFFFAOYSA-N	303.297	1.573	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCc2csc(C)n2)c(O)c1	733360422	VXJDNEBDAUMDPB-UHFFFAOYSA-N	319.386	1.859	50	20	DDGD	
CC(=O)c1ccc(C(F)(F)F)nc1N1CC[C@H](B(O)O)C1	900964150	CZBIGMGQBREAAR-QMMMGPOBSA-N	302.061	1.356	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1ccc2c(c1)OCCO2	735414851	GKOLVNFFLIRPSR-SECBINFHSA-N	310.375	1.496	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCCO1)c1ccc(C(=O)N(C)C)cc1	834984933	DZGVHGSRXQEVNJ-HNNXBMFYSA-N	317.389	1.798	50	20	DDGD	
Cc1c(NNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)cccc1[N+](=O)[O-]	837488045	JDKYKUVTGDZHCY-AXFHLTTASA-N	303.318	1.962	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@]1(C)CC(C)=NO1)c1ccccc1	903269446	YJDMRVATFSESIJ-CJNGLKHVSA-N	303.362	1.883	50	20	DDGD	
COCCc1ccccc1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	831710875	ACGUOZBNRSZFJD-AAEUAGOBSA-N	321.377	1.453	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1cc(B(O)O)ccc1F	584950404	KDTASZIOKLEFNR-IUODEOHRSA-N	305.158	1.204	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C(=O)N1CCCC1)[C@@H]1CCC[C@@H](C)C1	838732985	RAYJWZSBFDIDRU-FRRDWIJNSA-N	324.425	1.154	50	20	DDGD	
CC[C@H](C)n1nc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1C	831616592	FNEWCULAFVRJNM-WCQGTBRESA-N	323.397	1.740	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)c1	837316103	HDJBRDMRRIGYGU-ZLKJLUDKSA-N	315.373	1.129	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H](CC(C)C)C(N)=O)cc1	839464076	GQQQWUWABVYJHE-ZDUSSCGKSA-N	305.378	1.158	50	20	DDGD	
C[C@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccc(B(O)O)cc2)C1	584996421	HHJRSVGJKVUBCA-WMLDXEAASA-N	323.201	1.632	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1nc2ccccc2s1	831051994	JRGHQEHRBPPNIN-DTWKUNHWSA-N	320.374	1.874	50	20	DDGD	
C[C@@H](N)C[C@@H](C)NC(=O)NNC(=O)Nc1ccc(Cl)cc1	831223789	KHSGUVLCWXOSIX-RKDXNWHRSA-N	313.789	1.802	50	20	DDGD	
O=C(NCc1ccn(-c2ccccc2)n1)NNC(=O)C1CCC1	732452865	NANILSUPEIZSNZ-UHFFFAOYSA-N	313.361	1.503	50	20	DDGD	
CC(C)(CC(=O)O)CC(=O)NNC(=O)CCc1ccccc1	833454701	SWJISWRGRABATC-UHFFFAOYSA-N	306.362	1.658	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1ccc(C(=O)O)s1	832980844	NODRRLLOMCTRFY-UHFFFAOYSA-N	318.354	1.758	50	20	DDGD	
C[C@@H](OCc1ccccc1)C(=O)NNC(=O)[C@@H]1CCCCO1	833251038	PKAKVPNRKBZHOX-OCCSQVGLSA-N	306.362	1.308	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@H]1CN1CCCC1	731850030	LMRSVFBDQCKWOA-GJZGRUSLSA-N	324.469	1.129	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(CC)CC(=O)O)cc1	833664147	PGNFQEHHJSHIHU-UKTHLTGXSA-N	302.330	1.925	50	20	DDGD	
CO[C@H](CNCc1cccc(B(O)O)c1)c1ccc(Cl)cc1	585027715	YHUWFMCYMUDTQI-MRXNPFEDSA-N	319.597	1.497	50	20	DDGD	
Cc1noc(CCC(=O)NNC(=O)C(C)(C)c2ccccc2)n1	731175624	ZAOMRCWYVKLHJT-UHFFFAOYSA-N	316.361	1.436	50	20	DDGD	
CC[C@@H](C)[C@H](CNC(=O)NNC(=O)Cc1ccccc1C)OC	836546301	GUYMWZQQFJJVPN-DOMZBBRYSA-N	321.421	1.929	50	20	DDGD	
CC(C)C(=O)NNC(=O)NC[C@H]1CCCN1Cc1ccccc1	734173093	YIVRLJGNNUXWNM-OAHLLOKOSA-N	318.421	1.637	50	20	DDGD	
CSCCCNC(=O)NNc1cccc(-c2nn[nH]n2)c1	737182002	NEJQNBVIXWJJBM-UHFFFAOYSA-N	307.383	1.246	50	20	DDGD	
O=C(NN[C@H](C(=O)O)c1cccnc1)c1cccc(Cl)c1	833149406	PLISOJUYXUMBGI-LBPRGKRZSA-N	305.721	1.795	50	20	DDGD	
O=S(=O)(CCl)NCCc1cc(C(F)(F)F)ccn1	831631303	HWIDTZHDEXVUCI-UHFFFAOYSA-N	302.705	1.759	50	20	DDGD	
C[C@@H]1CN(Cc2ccccn2)CCC1=NNC(=O)NCC1CC1	734365841	VDDDVAUJWONWNO-CYBMUJFWSA-N	315.421	1.989	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(-n2ccnc2)nn1)C1CCC1	830422891	HJEWJIULXWOAPM-UHFFFAOYSA-N	300.366	1.932	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NNC(=O)COc1ccc(C)c(C)c1	916107669	HPYURUXKGXHYKL-KBPBESRZSA-N	306.362	1.255	50	20	DDGD	
O=C(CCCNS(=O)(=O)CCl)N1Cc2ccccc2C1	830461828	HXAIFVLHAWHXOZ-UHFFFAOYSA-N	316.810	1.425	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H](C)COCCOC)cc1	745864819	YFUBFQFWURVAIP-LBPRGKRZSA-N	323.393	1.245	50	20	DDGD	
CCOc1cc(C=NNC(=O)C(=O)NC(CC)CC)ccc1O	740762328	LKMPAHHRZIGMGV-UHFFFAOYSA-N	321.377	1.546	50	20	DDGD	
O=C(CCCn1ccnc1)NNC(=O)c1cccc(Cl)c1	748605738	VCXPHQIAWPFDKM-UHFFFAOYSA-N	306.753	1.778	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2csc([N+](=O)[O-])c2)n1	740112397	GPLNBQZNLAOKEK-UHFFFAOYSA-N	308.323	1.269	50	20	DDGD	
CC(C)C(=O)NNC(=O)Cc1ccc(NC(=O)C2CC2)cc1	742477167	LJVFGLRXYRLTBG-UHFFFAOYSA-N	303.362	1.381	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)Cc2ccccc2C)[nH]n1	842529308	VEHWQWVIJCUPDD-UHFFFAOYSA-N	314.345	1.588	50	20	DDGD	
CCNCCCNC(=O)NNC(=O)c1cccc2ccccc12	841917269	JAAFPOQCMQFQJN-UHFFFAOYSA-N	314.389	1.783	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)c1c[nH]nc1C1CC1	848322170	SBUUONKPOTXYMW-UHFFFAOYSA-N	323.154	1.597	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCC[C@@]1(O)CCCOC1	846599001	YFXPOLJACSANHP-QXSWTLKVSA-N	316.357	1.347	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cn(-c2ccc(Cl)cc2)nn1	914882060	RQTJYFQPYUIFLC-UHFFFAOYSA-N	307.741	1.338	50	20	DDGD	
CCC(N)(CC)CNC(=O)NNC(=O)c1ccc(Cl)cc1	841950648	AWRBZQKJKUDQMX-UHFFFAOYSA-N	312.801	1.802	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	842562962	ZZPDBQWRQAABGL-KWQFWETISA-N	322.277	1.378	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccccc1CN1CCOCC1	746129514	KOZMPSLQRBBGQU-UHFFFAOYSA-N	319.405	1.326	50	20	DDGD	
COCC1(CC(=O)NNC(=O)c2ccc(OC)cc2OC)CC1	843545763	VZEJNIDTFXVZQQ-UHFFFAOYSA-N	322.361	1.282	50	20	DDGD	
CC(C)C[C@@H](CN)NC(=O)NNc1ccc2c(=O)[nH]ccc2c1	841954830	WGISKCATPLAOPI-ZDUSSCGKSA-N	317.393	1.528	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NC[C@H]1CCC[C@H]1C1CC1	840395582	LIPSWPLFRAQIBS-CABCVRRESA-N	316.405	1.781	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)COC2(C)CCC2)cc1	746296507	NTVCYEPQENIEKE-UHFFFAOYSA-N	305.378	1.514	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NNC(=O)Cc1c[nH]c2ccccc12	916133532	WKGPTYULNIYIKU-OCCSQVGLSA-N	301.346	1.283	50	20	DDGD	
CC[C@](O)(CC(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccc1	840468522	GIHLKUHIUGYJEO-YOEHRIQHSA-N	320.389	1.391	50	20	DDGD	
CC(=O)CCCC(=O)NNc1ncc(Br)cn1	848320547	WHNNYTIXUTXJCV-UHFFFAOYSA-N	301.144	1.442	50	20	DDGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)NC(N)=O)cc1	849210202	JBPNFWQFJUNJNM-BZPKPHBRSA-N	301.302	1.029	50	20	DDGD	
NC[C@@H](NC(=O)NNC(=O)c1ccccc1F)C1CCCC1	841984890	GDSYCKTWFFYIOE-CYBMUJFWSA-N	308.357	1.287	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@H](c1ccccn1)C1CC1	925534652	OKEMERVWXFUHKD-NSHDSACASA-N	316.283	1.816	50	20	DDGD	
Cc1ccc(CN(CC(=O)NNC(=O)C(C)(C)C)C2CC2)o1	744386486	GEOSBYPWCZFLQB-UHFFFAOYSA-N	307.394	1.746	50	20	DDGD	
COC(=O)c1ccc(C(C)=NNC(=O)[C@H]2CCO[C@H]2C)cc1	842555155	QEOYVZKHZJFRGY-FZMZJTMJSA-N	304.346	1.738	50	20	DDGD	
CCC(=NNC(=O)Cc1cc(O)nc(S)n1)[C@@H]1CC1(C)C	841616572	PWLQYVUEHPETQG-VIFPVBQESA-N	308.407	1.942	50	20	DDGD	
CCN(C)C(=O)[C@H](C)NC(=O)NNc1ccc(F)c(F)c1	922156322	MKPLVZWNOZCLJJ-QMMMGPOBSA-N	300.309	1.458	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc(O)nc2c1CCCC2	929437454	XBBKVNWWNGHKEC-UHFFFAOYSA-N	314.345	1.079	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cn(C)nc2-c2cccnc2)n[nH]1	920370965	CXSJXUNHBGDRJA-UHFFFAOYSA-N	323.360	1.206	50	20	DDGD	
Cn1nncc1C=NNC(=O)COc1ccc(C(C)(C)C)cc1	751130693	GAYMENWQNUSBMN-UHFFFAOYSA-N	315.377	1.642	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccc3c(c2)CCN3C)n1	752718495	IRMWPWNWDRJRPR-UHFFFAOYSA-N	311.389	1.643	50	20	DDGD	
C[C@H]1CC(NC(=O)NNC(=O)c2cccc(F)n2)C[C@H](C)C1	852136721	OSWKUXQJZQDSLL-NXEZZACHSA-N	308.357	1.989	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCCOC(C)(C)C)n1	852294013	SXSVPLVTAXKEBJ-UHFFFAOYSA-N	308.382	1.539	50	20	DDGD	
O=C(CCOc1ccc(Cl)c(F)c1)NNC(=O)C1CC1	854180031	GYFSQWPJBJSFHR-UHFFFAOYSA-N	300.717	1.805	50	20	DDGD	
C[C@@H]1CSCCN(C(=O)NNC(=O)c2cccc(F)n2)C1	852710415	PFZKYBUSTVUFIR-VIFPVBQESA-N	312.370	1.260	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2ccc3c(c2)OCO3)c[nH]1	753163068	RCPBGIWSBDCQCE-UHFFFAOYSA-N	315.285	1.294	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)NC(=O)NNc1cc(F)ccc1F	922750981	ZKMMKRLXPJBPIP-SECBINFHSA-N	309.320	1.956	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1cnc2c(c1)CCCC2	757999954	ZNAGSJCMTYKUQK-UHFFFAOYSA-N	311.345	1.822	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1c(F)cccc1F	750938972	UYSZMGADBPMICD-UHFFFAOYSA-N	307.256	1.438	50	20	DDGD	
Cc1c[nH]ccc1=NC(=O)NNC(=O)c1ccc(Cl)cc1O	757806389	AFYVCRWBVGFXGR-UHFFFAOYSA-N	320.736	1.637	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc2c(c1)nc(O)n2C1CC1	854408911	CIFYZOOLFZGVMK-UHFFFAOYSA-N	304.306	1.420	50	20	DDGD	
CNC(=S)N(C)NC(=O)C1CCN(c2ccc(C)cn2)CC1	854924169	FUNGXMFOMCEYBO-UHFFFAOYSA-N	321.450	1.074	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NN=C1COC(C)(C)C1	853374069	YUSUOJHTHXKNKX-CHWSQXEVSA-N	320.393	1.559	50	20	DDGD	
O=C(COC(=O)CCc1ccoc1)NNC(=O)c1cccs1	753501943	YHAKRWNMUHBCHA-UHFFFAOYSA-N	322.342	1.278	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNC(=O)c1ccc2ccccc2c1	920453508	AXCOFWUBXLFPEV-LLVKDONJSA-N	313.357	1.516	50	20	DDGD	
CN1C(=O)CC[C@H]1CC(=O)NNC(=O)Nc1ccc(Cl)cc1	854377014	FLILKGBOUWQRHV-NSHDSACASA-N	324.768	1.504	50	20	DDGD	
Cc1ncc(C=NNC(=O)c2cnccn2)n1-c1ccccc1	755631113	FOGHVABRHNHACY-UHFFFAOYSA-N	306.329	1.735	50	20	DDGD	
CCc1ccc(NC(=O)NNC(=O)[C@H](C)OCCOC)cc1C	757847411	BOVXNIAXPBTAIA-LBPRGKRZSA-N	323.393	1.762	50	20	DDGD	
CO[C@@]1(CNC(=O)NNc2ccc(F)c(F)c2)CCOC1	921984236	FHFUHXHABDZZOW-CYBMUJFWSA-N	301.293	1.396	50	20	DDGD	
CCc1nnc(NC(=O)NNC(=O)c2cccc(C#N)c2)s1	755404253	DNBVYRFJTHJHRM-UHFFFAOYSA-N	316.346	1.439	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](C)c2nnnn2C2CC2)cc1F	854018438	AERBYZCOLPSZLN-SECBINFHSA-N	319.344	1.843	50	20	DDGD	
O=C(NNc1cc(F)cc(Cl)c1)[C@@H]1CCCS1(=O)=O	855622109	WPYUHCOAIRXOTQ-JTQLQIEISA-N	306.746	1.499	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N[C@@H]2CCOC2)c2ccccc2n1	752704881	OXNGVLLTPFNPMM-LLVKDONJSA-N	314.345	1.276	50	20	DDGD	
CN(C)c1nccc(NNC(=O)CCCc2cccnc2)n1	857133644	YZTHLBMJNNMEPR-UHFFFAOYSA-N	300.366	1.404	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccc(F)cc1[N+](=O)[O-]	758159344	UXRPTGNBRYMBIB-UHFFFAOYSA-N	309.175	1.447	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@](C)(NC(C)=O)C(C)C)c1	935025044	ZGPFKMTVCLXQKT-OAHLLOKOSA-N	311.357	1.828	50	20	DDGD	
O=C1N[C@H]2CCN(C[C@@H](CBr)C3CC3)C[C@@H]2CO1	859291298	GDOMLLBEAMSNRN-UTUOFQBUSA-N	317.227	1.838	50	20	DDGD	
CC[C@@](C)(O)C(=O)NNC(=O)c1cc(C)nc2ccccc12	935794791	GJWDUGSIVAEGFQ-MRXNPFEDSA-N	301.346	1.465	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CO)cc1OCCC(C)C	756684662	CKWMTFAOGGAHSC-UHFFFAOYSA-N	309.366	1.565	50	20	DDGD	
CC1(C)C(=NNC(=O)[C@@H]2CCC(=O)N2)C[C@H]1Oc1ccccc1	863153404	TZGQWIFDHWXKEF-GXTWGEPZSA-N	315.373	1.615	50	20	DDGD	
Cc1nc(O)c(C(=O)NNC(=O)C2CC2)cc1Br	765974106	PHOPUKVPVYYBIX-UHFFFAOYSA-N	314.139	1.029	50	20	DDGD	
CC(C)(C)c1nsc(NC(=O)NNC(=O)c2cn[nH]c2)n1	860594168	MBAASCMYTMYHCF-UHFFFAOYSA-N	309.355	1.025	50	20	DDGD	
CC[C@](C)(NC(=O)NNC(=O)Cc1cc[nH]n1)C(F)(F)F	933514762	FBIUGZGRVJNXNR-JTQLQIEISA-N	307.276	1.014	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)c1ccncc1F	768785539	LRRQJVMFNVKBER-UHFFFAOYSA-N	320.349	1.861	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(N(C)C)c(F)c1	932234879	KFZUBRGUFSZTHH-UHFFFAOYSA-N	306.341	1.848	50	20	DDGD	
CCn1cc(C(=O)NNC(=S)N[C@@H](C)C2CC2)c(C2CC2)n1	869218737	QAJXQSRDGFWBHZ-VIFPVBQESA-N	321.450	1.688	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccc(CN2CCCCC2)o1	935125337	IRLSHULRMFEKOZ-UHFFFAOYSA-N	319.340	1.952	50	20	DDGD	
Cc1ccnn1CC(=O)Nc1cccc(NC(=O)NN(C)C)c1	861379084	JFGXDCAINITDCJ-UHFFFAOYSA-N	316.365	1.428	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1)C(F)(F)F	863920305	GXPBHBGENGQPSL-ZCFIWIBFSA-N	316.239	1.215	50	20	DDGD	
Cc1cc(C(=O)NN=C2CCOc3c(F)cc(F)cc32)n[nH]1	764795343	QUWGFRKKWMSTPT-UHFFFAOYSA-N	306.272	1.913	50	20	DDGD	
C[C@@H](NNC(=O)Cc1ccc2c(c1)NC(=O)C2)C(F)(F)F	862318969	UNEVKDURMYWLKX-SSDOTTSWSA-N	301.268	1.295	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](Cc1ccncc1)C(=O)OCC	768259592	JGBSKTUMHSAJHS-FZDNWWAKSA-N	317.345	1.116	50	20	DDGD	
C/C(N)=C(\C#N)c1nc(CCNC(=O)C(F)(F)F)cs1	864369735	ZJVMMQUPMLHGGE-VURMDHGXSA-N	304.297	1.577	50	20	DDGD	
CCOc1nc(C(F)(F)F)ccc1C(=O)NNC(=O)N(C)C	760214251	XFEVCAWXJIGPOS-UHFFFAOYSA-N	320.271	1.415	50	20	DDGD	
CC(C)C(CCc1ccccc1)=NNC(=O)CS(C)(=O)=O	863187600	BSWUOULZBHOXOY-UHFFFAOYSA-N	310.419	1.792	50	20	DDGD	
COc1cc(NC(=O)CN(C)C(=O)CCl)cc(OC)c1	1116438635	WHUPUVPDBSXZSA-UHFFFAOYSA-N	300.742	1.340	50	20	DDGD	
O=C1NCCC[C@H]1C(=O)NNc1cccc(Cl)c1Cl	868856215	DMTKNXYZIIEVFX-SSDOTTSWSA-N	302.161	1.963	50	20	DDGD	
Cc1c(C(=O)NNc2ncc(F)cn2)oc2c1C(=O)CCC2	760905947	HIMXDBWVBHRPOX-UHFFFAOYSA-N	304.281	1.793	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc(C(C)=O)s1	769767288	IMOQPWWJQWDMFF-UHFFFAOYSA-N	317.461	1.423	50	20	DDGD	
C[C@]1(CNC(=O)N2C[C@H]3CC[C@H]2[C@@H](O)C3)C[C@H]1Br	1119299562	TUMZBNHQKKOTMB-HKLXJQGRSA-N	317.227	1.715	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)c2cc(Cl)ccc2O)CCC1=O	763496906	NBUUNPJKFHJRQY-DTWKUNHWSA-N	324.764	1.812	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)N(C)C)cc1Br	1117740262	GLEIYIBFGHWWPC-UHFFFAOYSA-N	314.183	1.982	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1ccc(C(F)(F)F)cn1	779843035	ARDYDXXXSNSCJX-UHFFFAOYSA-N	318.299	1.850	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NNc2ccn(C)n2)C1	1116853038	YJWCFVGZVGWAEG-NWDGAFQWSA-N	307.398	1.148	50	20	DDGD	
COCCOCC(=O)NN=Cc1cccc2c1OC(F)(F)O2	872399474	DBVAXQVMFATGTA-UHFFFAOYSA-N	316.260	1.121	50	20	DDGD	
COCCCNC(=O)NN=Cc1cccnc1Br	872344108	DDRYQXSUFNREPL-UHFFFAOYSA-N	315.171	1.514	50	20	DDGD	
CN1CCC(C=NNC(=O)c2ccc3c(c2)OCCO3)CC1	872340325	VOVIIXHSEPPHSJ-UHFFFAOYSA-N	303.362	1.515	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)[C@H](O)c1cccnc1	771542338	WUDKTLYFIZYKHP-LLVKDONJSA-N	323.150	1.416	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc(OCC(F)F)ccn1	777975035	DTRMTUXQNMGYLD-UHFFFAOYSA-N	314.292	1.080	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)co1	776320987	PRTNEAKCVVATBH-QMMMGPOBSA-N	307.281	1.351	50	20	DDGD	
COc1nc(C)ccc1C(=O)NNC(=O)c1ccccc1F	776739762	TWKHMRFKQXRVLD-UHFFFAOYSA-N	303.293	1.613	50	20	DDGD	
CNc1ccccc1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	771891411	MZSHIKBWONJYCL-LLVKDONJSA-N	321.377	1.467	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(C)n([C@H](C)C3CC3)n2)n[nH]1	777441499	UXBASFPHHAMVMT-SNVBAGLBSA-N	316.365	1.269	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@@H]2COc3ccccc3C2)cc[nH]1	875019992	FZIVUBBVDDZKLM-CYBMUJFWSA-N	312.373	1.689	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2C[C@@H](C)CC2(C)C)c1	777596195	WFHCJZGZVFIKHS-ZDUSSCGKSA-N	303.406	1.876	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNC(=O)c1ccc(OC)cc1	1117482148	QMBDHAJELSITKC-SNVBAGLBSA-N	308.334	1.046	50	20	DDGD	
COc1cc(C(C)=NNC(=O)c2sc(N)nc2C)ccc1O	874110115	IGRUDGNHUXQXNY-UHFFFAOYSA-N	320.374	1.902	50	20	DDGD	
CNC(=O)NN=Cc1cccc(CNC(=O)OC(C)(C)C)c1	872345597	SFJDMUOUEURDQV-UHFFFAOYSA-N	306.366	1.974	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@H](C)Oc2ccccc2)cc[nH]1	875288514	VNFIIJVMLDFWRC-ZDUSSCGKSA-N	300.362	1.906	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cc2c(nc1O)CCC2	772842084	QQZJAXDBRWHBJP-UHFFFAOYSA-N	313.361	1.946	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)CCCN2	772088283	MIBVABWADLFCAY-SNVBAGLBSA-N	319.361	1.147	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)C1(n2cnnn2)CCCCC1	885115317	FHJHTNBSHKUNMC-UHFFFAOYSA-N	322.319	1.754	50	20	DDGD	
CCCCn1cc(CNC(=O)NNC(=O)CC(C)C)c(C)n1	773713047	FOTHKXVSOBQVGH-UHFFFAOYSA-N	309.414	1.868	50	20	DDGD	
C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)NNc1ccccn1	777472565	NTLSZNYAMWPPHM-JTQLQIEISA-N	324.344	1.220	50	20	DDGD	
O=C(CN(CC(F)F)C1CCC1)NNC(=O)c1cccs1	887100609	JCOYKMJIHAYCEX-UHFFFAOYSA-N	317.361	1.629	50	20	DDGD	
Cc1c(NC(=O)C(=O)NNc2ccccn2)cnn1CC(C)C	784798666	VTMRQVFQCGHOJU-UHFFFAOYSA-N	316.365	1.324	50	20	DDGD	
COCC1(C(=O)NNC(=O)Cc2ccc(Cl)cc2)CCC1	785701332	GVPMACVXEDLOAV-UHFFFAOYSA-N	310.781	1.847	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)Cc2cnn(C)c2)cc1O	882051667	UUZCKZIWLUGUJK-NSHDSACASA-N	316.361	1.074	50	20	DDGD	
CCNC(=O)N(C)N=Cc1ccc(OCCC(=O)O)c(OC)c1	783864549	RPMMJUVKPHQZOG-UHFFFAOYSA-N	323.349	1.544	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1oc2c(c1C)C(=O)CCC2	887141670	CYQRPDWKPAKSJM-UHFFFAOYSA-N	302.330	1.672	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)n1	788001390	NEAOUCFZDLDREW-DTWKUNHWSA-N	311.773	1.173	50	20	DDGD	
C[C@@H]([C@H](C)C(=O)NNc1cccc(Cl)c1)S(C)(=O)=O	788273872	IFPMATADDQCGST-IUCAKERBSA-N	304.799	1.852	50	20	DDGD	
Cc1cccc([C@@H]2CCN(CC(=O)NNC(=O)C(C)(C)C)C2)c1	784478774	PJMOYFTYGIWLRI-OAHLLOKOSA-N	317.433	1.978	50	20	DDGD	
CSC1(CNC(=O)NNC(=O)c2cccc(C#N)c2)CC1	789293583	DCFJPPCYOVPCNA-UHFFFAOYSA-N	304.375	1.398	50	20	DDGD	
CC/C(C)=C(\C)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1	780853569	FZTQDUSFFOLLFB-ZHACJKMWSA-N	314.349	1.170	50	20	DDGD	
C[C@@H](Cc1ccccc1)NC(=S)NNC(=O)c1ccncc1	786055462	IMFHRQCHWRPFSL-LBPRGKRZSA-N	314.414	1.822	50	20	DDGD	
O=C(O)[C@@H](CNS(=O)(=O)CBr)c1ccccc1	788454577	MACJJLVJKPMARY-VIFPVBQESA-N	322.180	1.127	50	20	DDGD	
COc1ccc(NNC(=O)NCCc2nc(C)cs2)nc1	780960199	HUGMMJLRLVPBTR-UHFFFAOYSA-N	307.379	1.724	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC1(SC)CCCCC1	891069427	ZSJBTRDNZPIUGE-UHFFFAOYSA-N	303.428	1.419	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C(=O)c2ccc(Cl)cc2)n1	794072971	VDXCYMOKYCCAMQ-UHFFFAOYSA-N	317.732	1.687	50	20	DDGD	
Cn1c(Cl)cnc1C=NNC(=O)CCc1ccccc1O	799480565	ZGAUXZZELIJZIL-UHFFFAOYSA-N	306.753	1.862	50	20	DDGD	
CSSCCNC(=O)N1CC[C@@H](NC(=O)NC2CC2)C1	790880134	HSKVZNPAQAJAAX-SNVBAGLBSA-N	318.468	1.243	50	20	DDGD	
CSSCCNC(=O)c1ccc(S(N)(=O)=O)c(C)c1	791099196	DQULPFQGTGJZAZ-UHFFFAOYSA-N	320.461	1.383	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1cc(Cl)c(C)c(C(=O)O)c1	794863694	CVKAXFHXVZFTIS-UHFFFAOYSA-N	320.754	1.066	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(Cl)nc1)c1nnnn1C1CC1	790728328	NNERLKHMWADWKZ-ZETCQYMHSA-N	322.760	1.444	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])C(F)(F)C1(O)CCC1	791070041	DFBDVWYTXMJKFH-UHFFFAOYSA-N	319.239	1.727	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=C2CC(=O)N3CCCC[C@H]23)c1	799470985	XTXOEIJVPNXCHD-OAHLLOKOSA-N	314.389	1.623	50	20	DDGD	
CCc1nn(C)c(CC)c1CC(=O)NNC(=O)C1CCCC1	790290893	XWFNFWQPGFRDQJ-UHFFFAOYSA-N	306.410	1.425	50	20	DDGD	
O=C(NN=CC1CCC2(CC1)OCCO2)c1ccc(O)c(O)c1	794559246	SXPQANPEZUZLIU-UHFFFAOYSA-N	320.345	1.747	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=C1CCc2c(F)ccc(F)c21	794459979	OTIJUXWDVBETQB-UHFFFAOYSA-O	302.304	1.719	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccc(OC)cc1)N(CC)CC	1319260972	OZETUEHUWHCWHS-AWEZNQCLSA-N	307.394	1.577	50	20	DDGD	
CCCN(CC)CCNC(=O)NNC(=O)c1ccc(OC)cc1	1318878433	YKJCLQQWKZMNDC-UHFFFAOYSA-N	322.409	1.371	50	20	DDGD	
Cc1ncnc(O)c1CCC(=O)NNc1ccccc1[N+](=O)[O-]	1317803075	DDVIQTVMXCTXCV-UHFFFAOYSA-N	317.305	1.475	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)C(=O)OC)c1ccc(Cl)s1	1319299153	IOUVXGNSXKVPHQ-LURJTMIESA-N	319.770	1.356	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1cccc2ccoc12	1328090389	FTVDDIFLABFVHI-CYBMUJFWSA-N	315.373	1.851	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)N[C@@H]2C=CCCC2)cc1	1323794648	VNGJPRRDOLAAAY-GFCCVEGCSA-N	319.361	1.513	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)C(=O)NNc1nccnc1C(C)C	1321265807	RHQZPURLXPXNCA-UHFFFAOYSA-N	316.365	1.276	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccc2ncccc12)n1ccnc1	1322562470	KOXIZVDNEDPWKV-NSHDSACASA-N	309.329	1.454	50	20	DDGD	
CC(C)N(CCI)CCS(C)(=O)=O	191006956	NWQJIXUINYPYND-UHFFFAOYSA-N	319.208	1.176	50	20	DDGD	
O=C(Cc1ccccc1Br)N1CC[C@@H](B(O)O)C1	585068640	FPTWJDVCKQUYAO-SNVBAGLBSA-N	311.972	1.067	50	20	DDGD	
CSSCCNC(=O)NCCC(=O)N1CCC[C@@H](C)C1	1339750726	MJZIVWFCNRLDTO-LLVKDONJSA-N	319.496	1.945	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H]1COc2ccc(F)cc2C1	1253755399	OQBLCLZAPAAHEZ-JTQLQIEISA-N	311.382	1.281	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2ncccc2Cl)nc1	1330358347	YYGSVERHXGLWTG-UHFFFAOYSA-N	316.708	1.083	50	20	DDGD	
C#CC[C@@H](CCOC)NC(=O)NNC(=O)c1ccc(OC)cc1	1336661698	SRQLFZZCWSMREA-ZDUSSCGKSA-N	319.361	1.068	50	20	DDGD	
CCn1c(C(=O)NNC(=O)[C@@H]2CCCCO2)cc2ccccc21	1261264923	MMQZDBZFKZWAJH-HNNXBMFYSA-N	315.373	1.991	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)[C@@H]2C[C@H]2F)cc1OC	1348434224	OCXYURCNBBLQFY-GHMZBOCLSA-N	310.325	1.603	50	20	DDGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)[C@@H]1C[C@H]1F	1346229777	AWKYIPMZAUSJRR-NXEZZACHSA-N	302.758	1.938	50	20	DDGD	
Cc1nc(C(=O)NNCC(F)(F)C(F)(F)F)ccc1C#N	1351652492	ZLZSRSNSDJQGGO-UHFFFAOYSA-N	308.210	1.694	50	20	DDGD	
Cc1ccc([C@H](CNS(=O)(=O)CCCCl)C(=O)O)cc1	1600376875	NBTRIAZVVZFZMK-LBPRGKRZSA-N	319.810	1.712	50	20	DDGD	
Cn1ncc(C(=O)O)c1NC(=O)NNc1c(F)cccc1F	1601024340	YBPHXYVFGXYVLE-UHFFFAOYSA-N	311.248	1.545	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2cccc(C(=O)O)c2F)no1	1606533395	QLHRERJVWYUYCX-UHFFFAOYSA-N	323.236	1.055	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccccc2C(=O)O)c(O)c1O	1607732355	YCIIYBXEYVFCDD-UHFFFAOYSA-N	302.286	1.861	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1csc(-c2nn[nH]n2)c1	1606861557	LKPREAJGWNXUHQ-UHFFFAOYSA-N	305.298	1.219	50	20	DDGD	
Cc1c(NNC(=O)Cc2ncccc2F)cccc1C(=O)O	1600051535	TTXGGRCSJAGRRY-UHFFFAOYSA-N	303.293	1.913	50	20	DDGD	
O=C(COC[C@H]1CCCO1)NNc1ccc(F)c(C(=O)O)c1	1601337636	DNIPDGZVWXXQKL-SNVBAGLBSA-N	312.297	1.163	50	20	DDGD	
O=C(O)CCNC(=O)NNC(=O)Nc1ccc(Cl)cc1	1611452574	XUFOVLSFGNONAF-UHFFFAOYSA-N	300.702	1.150	50	20	DDGD	
CSc1cccc(NNC(=O)[C@@H]2CN3CCN2C[C@@H]3C)c1	1548673004	XLXQFBSISWUKPD-FZMZJTMJSA-N	306.435	1.240	50	20	DDGD	
C[C@@H]1COCC1=NNC(=O)[C@H]1CCCO[C@@H]1c1ccnn1C	1550194973	TWIGHSIPFGNNCL-SUNKGSAMSA-N	306.366	1.026	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1Cc2c(F)cc(C)cc2N1	1574545545	RNROOQZAIKKBEF-AWEZNQCLSA-N	303.337	1.422	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H](C)CN)C2	1841667354	GZPCPDPWHPUGGV-NEPJUHHUSA-N	315.845	1.192	50	20	DDGD	
CCC(=O)N1CCCC12CN(C(=O)[C@H](C)Br)C2	1842636364	DKJBPHNFNMQOHU-VIFPVBQESA-N	303.200	1.383	50	20	DDGD	
NCc1ccccc1C(=O)NNC(=O)c1cccc2cccnc12	1580344325	WJWYWJWGPVEQED-UHFFFAOYSA-N	320.352	1.768	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)Nc1ccn(CC(=O)O)n1	1588975868	HXKPVYFWNOIANL-UHFFFAOYSA-N	319.325	1.030	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H]2C[C@@H]2F)C1	1845904209	MAPGIOZEVOROOF-DCAQKATOSA-N	302.777	1.565	50	20	DDGD	
CCOCC(=O)N1CCCC12CN(C(=O)C(C)(C)CCl)C2	1842691853	MQCWPCXEQFPWPR-UHFFFAOYSA-N	316.829	1.491	50	20	DDGD	
C[C@@H](CN)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)CCl	1847435725	QVSOMBWXCLOKON-SRVKXCTJSA-N	315.845	1.048	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2cccc(C(=O)O)c2C)on1	1598920089	RXKRJOHOVSUTAV-UHFFFAOYSA-N	319.273	1.225	50	20	DDGD	
C[C@H]1CCc2nc(C(=O)NNc3ccc(C(=O)O)cn3)cn2C1	1594448552	TWCPALVVCXOTNE-VIFPVBQESA-N	315.333	1.316	50	20	DDGD	
CC[C@H](C(=O)O)C(=O)NNC(=O)c1cc2ccccc2cc1O	1594755127	BNOZXFXNWWNNQH-NSHDSACASA-N	316.313	1.417	50	20	DDGD	
O=C(C[C@H]1Cc2ccccc2O1)NNc1ncccc1C(=O)O	1594678778	IKXJRNSMHWITMK-LLVKDONJSA-N	313.313	1.617	50	20	DDGD	
O=C(COc1ccc(-c2nn[nH]n2)cc1)NN=Cc1ccccc1	1592890043	ALEXLAGYNURWCS-UHFFFAOYSA-N	322.328	1.396	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CCCCC(=O)O)ccc1C	1593880751	ACIIRFKYQPCCDP-UHFFFAOYSA-N	308.334	1.870	50	20	DDGD	
Cn1c(Cl)cnc1C=NNC(=O)c1cccc(C(=O)O)c1	1776095556	GDRKKRICSQINKH-UHFFFAOYSA-N	306.709	1.536	50	20	DDGD	
CO/C=C(\C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl	1796808060	YKTQDPGBCYMVMI-IDLRSZLASA-N	318.776	1.709	50	20	DDGD	
Cc1c(C(=O)NNC(=O)Cc2cccc3ccccc23)cnn1C	13228907	XKOHRPXYHPEHEI-UHFFFAOYSA-N	322.368	1.885	50	20	DDGD	
COc1cc(C(=O)NNC(=O)NCc2ccco2)ccc1F	150900220	XCOFZTPMAKFQNC-UHFFFAOYSA-N	307.281	1.572	50	20	DDGD	
Cc1nnc(-c2ccc(NC(=O)NNc3ncccn3)cc2)o1	161535548	MKVGQIXMBBCCDR-UHFFFAOYSA-N	311.305	1.984	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)CCn1cc([N+](=O)[O-])cn1	160934647	VRXXREROEVILRF-UHFFFAOYSA-N	307.285	1.772	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNc2cccc([N+](=O)[O-])c2)C1	151822296	DOWBUUWNBIJFJB-JTQLQIEISA-N	306.322	1.296	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(F)c(F)cc2Cl)[nH]n1	153005395	NCOXGLAOBFSKGT-UHFFFAOYSA-N	314.679	1.725	50	20	DDGD	
O=S(=O)(CBr)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2	374713050	UWXIDHZDJSTOFO-DJLDLDEBSA-N	310.213	1.216	50	20	DDGD	
C[C@@]1(C(=O)NN2C(=O)c3ccccc3C2=O)C[C@@H]1Br	907382222	FCINGVMPUPIOGB-TVQRCGJNSA-N	323.146	1.487	50	20	DDGD	
C[C@@H](CN1CCOCC1)N(C)NC(=O)OCc1ccccc1	859386166	FRYVBDFFFQGHGC-AWEZNQCLSA-N	307.394	1.480	50	20	DDGD	
O=C(NNC(=O)c1cccs1)c1ccc2c(c1)OCCO2	8357686	RJYXBEWWJKODEV-UHFFFAOYSA-N	304.327	1.594	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)COc1ccc(F)cc1	58994097	FSYOBEIQJSYBII-UHFFFAOYSA-N	309.322	1.431	50	20	DDGD	
NC(=O)[C@H](NNC(=O)c1ccc2ccccc2n1)c1ccccc1	26221888	TXQOSKGKILMHJI-MRXNPFEDSA-N	320.352	1.696	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)COC1CCCCC1	104830902	YGGPRMVKSDWOBO-UHFFFAOYSA-N	305.378	1.595	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)CCc1nc(-c2ccco2)no1	103198307	PLTWDSTXUWERSR-UHFFFAOYSA-N	320.349	1.846	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)c1cccn1C)c1ccccc1	106731408	ZFTKAQYTNUSLJW-INIZCTEOSA-N	301.346	1.348	50	20	DDGD	
C[C@H]1CCC[C@H]1NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	105311814	UQPKCPDYFVXPHV-JOYOIKCWSA-N	306.322	1.727	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNC(=O)c1ccccc1)C1CCCC1	53462286	TUIKVTQOYVSZMF-CQSZACIVSA-N	303.362	1.143	50	20	DDGD	
O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CCCO1	103524301	PHFJJCRGTHZYLF-JTQLQIEISA-N	320.317	1.305	50	20	DDGD	
CCC(=O)N1CC[C@H](NC(=O)NNc2cccc([N+](=O)[O-])c2)C1	177710357	IKFZHZPJIYISFO-NSHDSACASA-N	321.337	1.232	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(-n2cccc2)cc1	65206887	WCRKMNFCTNSFQQ-UHFFFAOYSA-N	316.361	1.458	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2cn(C)nc2C)cc1C	113460302	WIWHVOOSWQDYMK-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
Cc1noc(C)c1CCC(=O)NNC(=O)c1ccc(C#N)cc1	61474059	DAYWCBAMUVARQS-UHFFFAOYSA-N	312.329	1.557	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1CCC[C@@H]1OC	1353690091	SYHOZMQLTOZMHV-OCCSQVGLSA-N	306.362	1.200	50	20	DDGD	
O=C(CN1CCCCCCC1=O)NNc1ccc(Cl)nn1	172441973	CAVZSMADJBXCFX-UHFFFAOYSA-N	311.773	1.366	50	20	DDGD	
COc1ccc(C)cc1NC(=O)C(=O)NNc1cccc(C#N)c1	119421061	JVFXPNQFIXBJGL-UHFFFAOYSA-N	324.340	1.957	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCCc1ccccc1	66906515	NFSQKWGURHUJNQ-UHFFFAOYSA-N	315.348	1.941	50	20	DDGD	
CCOc1cc(C(=O)NNC(C)=O)cc(OCC)c1OCC	26957855	PNTRGFMARUOVEN-UHFFFAOYSA-N	310.350	1.664	50	20	DDGD	
COCCOc1cccc(C(=O)NNC(=O)NCC2CC2)c1	65191645	ZEHHRJHPGTUFEH-UHFFFAOYSA-N	307.350	1.066	50	20	DDGD	
Cn1nc2c(cc1=O)CN(/C(=C/C#N)c1ccc(F)cc1)CC2	175458423	XDSKWIDDGRPPCW-OMCISZLKSA-N	310.332	1.842	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CC[C@H]1CCOC1	176489503	JSYCZAIAZPMAGA-RYUDHWBXSA-N	324.352	1.557	50	20	DDGD	
O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNc1ccc(F)cc1	121049323	LALFXMDIKAUJBC-CHWSQXEVSA-N	319.336	1.444	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cccnc2)ccc1Cl	121850727	YKJRIDWFZUYBBY-UHFFFAOYSA-N	305.721	1.818	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	124530748	TZEUXLJIBJAILQ-JOYOIKCWSA-N	314.382	1.882	50	20	DDGD	
O=S(=O)(CBr)N1CCO[C@H](c2ccccc2)C1	127187763	INSYCLDQHHJNST-NSHDSACASA-N	320.208	1.742	50	20	DDGD	
CC[C@@H](CC(=O)NNC(=O)CNC(=O)c1cccnc1)C(C)C	122334308	IRUNKZKIZVDFNY-LBPRGKRZSA-N	320.393	1.031	50	20	DDGD	
COCc1cccc(CC(=O)NNC(=O)c2ccc(C)o2)c1	189207453	SCXVXOAQFSOOAH-UHFFFAOYSA-N	302.330	1.738	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1ccc(Br)c(O)c1	122310862	DIKXHLBGLGODOO-UHFFFAOYSA-N	324.134	1.558	50	20	DDGD	
CSCC[C@H](C)N(C)CC(=O)NNC(=O)c1ccc(C)cc1	126596107	QHQYMMDDUFLSTI-ZDUSSCGKSA-N	323.462	1.829	50	20	DDGD	
NC(=O)c1cccc(NC(=O)C(=O)NNc2cccc(F)c2)c1	120845557	ABTRJIMPPAINND-UHFFFAOYSA-N	316.292	1.006	50	20	DDGD	
Cc1nc(C)c(CNC(=O)NNC(=O)OC(C)(C)C)s1	74665286	OSIWARQPLJEAGC-UHFFFAOYSA-N	300.384	1.999	50	20	DDGD	
Cc1c(F)cccc1NC(=O)C(=O)NNc1cncc(Cl)n1	128241653	QMCJRMUJDSLJGH-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
CO[C@H](C)CCC(=O)NNC(=O)c1cc(-c2ccccc2)on1	183004552	REMLQGPUBMJXED-LLVKDONJSA-N	317.345	1.918	50	20	DDGD	
CC1(C)C[C@H](NC(=O)NNC(=O)Cc2ccncc2)C(C)(C)O1	181835688	VJNIHXKAGWNZAF-LBPRGKRZSA-N	320.393	1.301	50	20	DDGD	
COCCC1(C(=O)NNc2nnc(-c3ccccn3)s2)CC1	188189782	NRTBLNPAHZNJJE-UHFFFAOYSA-N	319.390	1.860	50	20	DDGD	
O=C(NCC(=O)N1CCCCC1)NNc1ccccc1Cl	46514362	HNKGJMUWHMVZKC-UHFFFAOYSA-N	310.785	1.979	50	20	DDGD	
C[C@@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)NC1CCCCC1	192776314	TXAAGAXFJFEGDM-SNVBAGLBSA-N	312.414	1.200	50	20	DDGD	
CC[C@H](C)CC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12	190511266	NTOIBSXWUZBYHX-JTQLQIEISA-N	316.361	1.131	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1	135190312	CEBSNAMXLAYNAE-GFCCVEGCSA-N	324.425	1.154	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)c1ccc(C)o1)c1ccccc1	84153928	XAFCUMRYYYFUAW-CQSZACIVSA-N	317.345	1.920	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NNc1cc(Cl)nc(N)n1	134103409	CKFMHOCNECKFJG-YIZRAAEISA-N	312.805	1.417	50	20	DDGD	
Cc1cccc(-c2cncc(C(=O)NNC(=O)CN(C)C)c2)c1	131688822	AZGIXHPJWUALSB-UHFFFAOYSA-N	312.373	1.380	50	20	DDGD	
Cc1n[nH]c(-c2ccc(C(=O)NNC(=O)OC(C)(C)C)cc2)n1	81223645	KNACNCGCPGQNNY-UHFFFAOYSA-N	317.349	1.950	50	20	DDGD	
Cc1nn(C)c(C)c1CC(=O)NNc1cc(C#N)cc(Cl)n1	93542522	HKJANWZEUCFDKQ-UHFFFAOYSA-N	318.768	1.643	50	20	DDGD	
CC[C@@H](C)[C@@H](C)NC(=O)NNC(=O)COc1ccc(F)cc1	98120777	QSBKHOMMNFJZNE-GHMZBOCLSA-N	311.357	1.970	50	20	DDGD	
O=C(C[C@H]1CCCCO1)NNC(=O)c1ccc(Cl)cc1O	268019197	SKPOXNHICRKEQF-SNVBAGLBSA-N	312.753	1.766	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1cccc(C(C)=O)c1	267139396	JWNCUWAFOIMYBY-LLVKDONJSA-N	323.349	1.093	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)cc1	264151452	QEGVKEMZKDTGGZ-ZDUSSCGKSA-N	317.389	1.787	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N[C@@H](C)CCN(C)C)c1ccccc1	264751478	KCYKGQDQXOPLJQ-DZGCQCFKSA-N	320.437	1.851	50	20	DDGD	
CN(C)C(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)c(Cl)c1	269361247	SQJNUNTWQXTRFR-UHFFFAOYSA-N	324.768	1.605	50	20	DDGD	
C[C@H](Sc1nncn1C)C(=O)NNc1cccc([N+](=O)[O-])c1	269595585	FWGPKFOUTLLSKV-QMMMGPOBSA-N	322.350	1.347	50	20	DDGD	
CCCN(CC)CCNC(=O)NNC(=O)c1ccccc1C	266999810	ZRSFDDZJLMVXAQ-UHFFFAOYSA-N	306.410	1.671	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC(C)(C)CCCO)c1	272669186	OWULCVGEDAREQI-UHFFFAOYSA-N	323.393	1.898	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H](C)NC(=O)CC(C)(C)C	275148850	OYVJOJVZHGEYHK-GFCCVEGCSA-N	319.405	1.697	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@@H]2CCO[C@H](C)C2)cc1	271822739	DDWADYKVXHQUBC-VXGBXAGGSA-N	321.377	1.070	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C[C@@](C)(O)C1CC1	270119417	LSPWHFBPFDESFL-QLJPJBMISA-N	324.352	1.292	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc2nnc(C(C)(C)C)n2c1	274464673	VZENGLZVAVZUNA-UHFFFAOYSA-N	317.393	1.834	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCC[C@H](C)CO)cc1	270517098	MHWSISADLBWDFT-LBPRGKRZSA-N	307.394	1.602	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H](C(=O)NNc2ncnc3nc[nH]c23)C1(C)C	275517665	YREIUVQKYYOODL-IUCAKERBSA-N	316.365	1.437	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC[C@@H](CN2CCOCC2)C1	282075770	IEVAUEVGOIHUMI-MRPLLJTBSA-N	307.394	1.001	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(C)oc1C(F)(F)F	281221623	MGXSHQKPDQUPMX-UHFFFAOYSA-N	307.297	1.902	50	20	DDGD	
C[C@@H](CCC(=O)NNC(=O)N1CCN(C)CC1)c1ccccc1	288087182	VPJWYADQFQBITD-AWEZNQCLSA-N	318.421	1.559	50	20	DDGD	
C[C@@H]1CC=CC[C@H]1C(=O)NNC(=O)COc1ccc(C#N)cc1	284999705	QXCJSPQDGLSMPG-IUODEOHRSA-N	313.357	1.687	50	20	DDGD	
COCCN(C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl	288476790	RLMLQFREOCZYIP-UHFFFAOYSA-N	301.730	1.400	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)c1cccc2ncccc12	280701758	KIVUQUOPWXTIBK-INIZCTEOSA-N	301.346	1.811	50	20	DDGD	
O=C(NN=C1CCC[C@H]1CCCF)N[C@@H]1CCS(=O)(=O)C1	800810942	AGUNMNDAHXGGQC-WDEREUQCSA-N	319.402	1.379	50	20	DDGD	
COCCN(C)NC(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1	294541280	VYXGYXOBFQPHLU-GFCCVEGCSA-N	320.311	1.218	50	20	DDGD	
O=C(NCc1ccc(F)cc1)C(=O)NNc1ncccc1F	804213218	ICWKUBJKMLUHAD-UHFFFAOYSA-N	306.272	1.119	50	20	DDGD	
O=C(Cc1ccc(F)cn1)NNc1ccc(C(F)(F)F)nn1	807154541	LVGOUXVWTLTUQS-UHFFFAOYSA-N	315.230	1.715	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	294399943	IIDWPVCNIRZOEY-SNVBAGLBSA-N	319.770	1.805	50	20	DDGD	
CC(=O)Nc1nc(C(=O)NNC(=O)Nc2ccccc2)cs1	801986414	LJZPWAQLXIOWIB-UHFFFAOYSA-N	319.346	1.568	50	20	DDGD	
CN(C)[C@@H]1CCC[C@@H](NC(=O)NNc2ncc(F)cc2F)C1	297773202	CYZPYKAHPZZHPV-GHMZBOCLSA-N	313.352	1.859	50	20	DDGD	
CC(C)(C#N)c1ccc(NC(=O)NNC(=O)[C@H]2CCCO2)cc1	292587412	IPMPOOLZDNETQG-CYBMUJFWSA-N	316.361	1.819	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccc(Cl)c(Cl)c1)C1CC1	294530242	ZHUPUFXVVICQIB-SNVBAGLBSA-N	303.145	1.584	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)c(C)c1	802034626	UIZLGIOOSYBTTI-UHFFFAOYSA-N	300.318	1.287	50	20	DDGD	
CC[C@@H]1CCCCN1CCNC(=O)NNc1ncncc1F	292790211	USXQDYVRLRJCIC-LLVKDONJSA-N	310.377	1.506	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CC(=O)N[C@H](C)C2)cc1	296780213	AQSNKDSSZVXHLQ-ZBQKXELDSA-N	313.357	1.339	50	20	DDGD	
CN(C)[C@H](C(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccc1	295686187	YODLITWMMSRKEE-KBPBESRZSA-N	305.378	1.006	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)[C@@H]2CCCCO2)c1F	295259767	AZMQPJFFGZJAJN-ZDUSSCGKSA-N	324.352	1.483	50	20	DDGD	
Cc1cc(C)c(OCC(=O)NNC(=O)[C@@H]2CCCCO2)c(C)c1	295670910	WYCDRHASSACXNP-AWEZNQCLSA-N	320.389	1.707	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)[C@H]2CCCCO2)ccc1F	297786907	MMDUJZWIHDLWSD-LLVKDONJSA-N	311.313	1.556	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cn(C)nc2COC)cc1	294259653	GCVIVKLWVNVBTB-UHFFFAOYSA-N	316.361	1.204	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccc2oc(O)nc2c1	807390282	WEQKTOUWRLNJLL-UHFFFAOYSA-N	310.273	1.333	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)OCCCCCO)cc(C#N)n1C	803269537	NYAFDAGGMYTCFA-RIYZIHGNSA-N	301.346	1.818	50	20	DDGD	
CC[C@H](Cc1ccccc1)NC(=O)NNC(=O)[C@H]1CCCCO1	296170154	AINRONUVWSRUHL-HUUCEWRRSA-N	319.405	1.907	50	20	DDGD	
COc1cc(C(=O)NN=C2CCOC2(C)C)cc(OC)c1OC	814698409	DJVXAMPKLDRHEJ-UHFFFAOYSA-N	322.361	1.997	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc(F)c[nH]1	814735339	ABRXPYWGDPTNQA-QMMMGPOBSA-N	309.272	1.521	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)c1cc2c(s1)CCC2)C1CC1	812452165	DDMITVKJEBLUBB-HNNXBMFYSA-N	308.403	1.813	50	20	DDGD	
COC(=O)[C@@H](C)CC=NNC(=O)Nc1ccc(C(=O)O)cc1	814222942	XLUBRLMOAKGQHK-VIFPVBQESA-N	307.306	1.691	50	20	DDGD	
Cn1ncc(C=NNC(=O)c2cccc(Br)c2)c1N	814856815	BAWUSGQKQGYWQM-UHFFFAOYSA-N	322.166	1.529	50	20	DDGD	
Cn1nncc1NNC(=O)c1csc(Br)c1	816770912	QLUAXNSRLIMTDO-UHFFFAOYSA-N	302.157	1.396	50	20	DDGD	
COC(=O)Cc1cccc(C(=O)NNc2ncncc2F)c1	817077849	OCQZNBIOYXWCCO-UHFFFAOYSA-N	304.281	1.088	50	20	DDGD	
Cc1ccc(NC(=O)NNc2ncncc2F)c2[nH]ncc12	814638931	ZIBHNOOZJBTAQS-UHFFFAOYSA-N	301.285	1.949	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)c2ccc(Cl)nc2)cn1	814809930	RSSZUVKBGRFYPU-UHFFFAOYSA-N	304.741	1.355	50	20	DDGD	
O=C(NNc1ncncc1F)c1cc2c(c([N+](=O)[O-])c1)OCO2	817079280	ORJNVXUTTKWURJ-UHFFFAOYSA-N	321.224	1.010	50	20	DDGD	
COC1([C@@H](C)NC(=O)NNC(=O)CC(C)(C)C)CCOCC1	817177379	FVQKFWACJWNZQX-LLVKDONJSA-N	315.414	1.337	50	20	DDGD	
O=C(NC[C@@H]1COc2ccccc21)NNc1cncc(Cl)n1	812444235	ZYGCJJMPHSAZHT-SECBINFHSA-N	319.752	1.932	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@@H](c2nc[nH]n2)C1	819724701	ORXYNXLHDAGZFV-LLVKDONJSA-N	322.800	1.487	50	20	DDGD	
CCO[C@H]1COCC[C@@H]1NC(=O)NNc1cccc(Cl)n1	814320502	TVFFNKDBASBRMW-UWVGGRQHSA-N	314.773	1.555	50	20	DDGD	
CCNC(=O)NNC(=O)C1CCC(OC[C@@H]2CCCO2)CC1	815113855	BBDBYCILOJTGFW-BPCQOVAHSA-N	313.398	1.091	50	20	DDGD	
C[C@@H]1SCCC1=NNC(=O)c1cccc(S(C)(=O)=O)c1	814801800	NFARROARPRJEHA-VIFPVBQESA-N	312.416	1.701	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)CNc1ccccc1OC	812456178	RHTHHKYWKJSSNQ-NEPJUHHUSA-N	323.393	1.173	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(Cc1ccco1)C[C@@H]1CCCO1	827487714	ZNAPXODKXKORSP-AWEZNQCLSA-N	323.393	1.064	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	820630970	SOMLKDFOJXCCNS-NWDGAFQWSA-N	321.352	1.725	50	20	DDGD	
CC(C)(C)OC(=O)[C@@H](C(=O)NNC(=O)NC1CC1)C(C)(C)C	823762969	MSCREYPLQRGNFG-SNVBAGLBSA-N	313.398	1.483	50	20	DDGD	
CCO/C=C/C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	493524017	LYGABFWHEKZIBC-CMDGGOBGSA-N	300.318	1.388	50	20	DDGD	
CN(NC(=O)Nc1cccc(CN2CCOC2=O)c1)C1CC1	824047614	CDRHGHBKXRVVSO-UHFFFAOYSA-N	304.350	1.770	50	20	DDGD	
CC(C)n1cc(Br)cc1C(=O)NN(C)[C@H](C)CO	823951141	IGSYFVDKVGIBOB-SECBINFHSA-N	318.215	1.789	50	20	DDGD	
CC(C)(C)N1CC[C@H](NC(=O)NNc2cccc(F)n2)C1=O	827086544	NPYKHHWXIIEKJP-VIFPVBQESA-N	309.345	1.246	50	20	DDGD	
CCNC(=O)CCC(=O)NNC(=O)CSc1ccc(C)cc1	729257684	MDTDFSYCIJQGTO-UHFFFAOYSA-N	323.418	1.151	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1c(C)ccc(C(=O)OC)c1O	490941299	KSJXUGDJLOTCLL-NTMALXAHSA-N	304.302	1.870	50	20	DDGD	
CC(C)c1nccn1CC(=O)NNC(=O)c1cccc(F)n1	824754834	RWRANCVBQGYKFD-UHFFFAOYSA-N	305.313	1.002	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1C[C@H](c2ccccc2)C[C@H]1C	827834529	OGSDQZMUHMOFTL-UKRRQHHQSA-N	303.406	1.668	50	20	DDGD	
CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)NNC(=O)NC	491057528	RQCOSRWQFWEJIH-ZDUSSCGKSA-N	302.375	1.030	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCOC[C@@H]2c2ccccc2)cn1	491048955	MCUXZXICMWWUMR-JDZKTDJGSA-N	322.368	1.927	50	20	DDGD	
CC(C)NC(=O)/C(C#N)=C/c1ccc(O[C@H](C)C(=O)O)cc1	490944302	VWAIRQSJKNQPTL-KAQJVSAMSA-N	302.330	1.970	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)NCCNC(=O)OC(C)(C)C)CCO1	494589376	ITQZWNPINFRSFT-SNVBAGLBSA-N	314.386	1.365	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N(CC1CC1)C1CCCCC1	584939927	OBNBMLGUDHXWTD-UHFFFAOYSA-N	301.195	1.551	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(C)CC(=O)NCc1ccccc1	491163387	WKSYECUEUDFNLE-OWBHPGMISA-N	301.346	1.205	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccc(CC(C)C)s1	827870084	UVACNRUDFAIHTD-UHFFFAOYSA-N	314.407	1.371	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CNc1cccc(C(F)(F)F)c1	823959855	QYOPZZDXUCXFDG-SECBINFHSA-N	305.300	1.461	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@@](C)(O)c1cccc(C(F)(F)F)c1	823947238	UZTOOWMLKHZMQO-RNCFNFMXSA-N	320.311	1.257	50	20	DDGD	
N#C/C(=C/c1cccc(OCC(=O)O)c1)C(=O)N=c1cc[nH]cc1	490814736	XNWFXSKLXKOTBY-JYRVWZFOSA-N	323.308	1.513	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)OC	491010784	NEIZAFRBOHUBGI-VIYPZCSYSA-N	304.350	1.031	50	20	DDGD	
CCSCc1ccnc(NCc2ccc(B(O)O)cc2)c1	585032225	RCZRVWMMIGOBQA-UHFFFAOYSA-N	302.208	1.627	50	20	DDGD	
Cn1c(=NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)sc2ccccc21	733755017	QGCNRGLPHNVONQ-CKYFFXLPSA-N	303.387	1.739	50	20	DDGD	
O=C(NCCN1C(=O)c2ccccc2C1=O)NNc1ccccc1	734269042	CSZZNBLIAIQUNJ-UHFFFAOYSA-N	324.340	1.609	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@@H]2CC[C@H](C)O2)cc1	838738785	GAACQUNXXXILKP-FZMZJTMJSA-N	305.378	1.761	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)Cc1cccc(F)c1	732305653	NMHSKQUEXHAMNP-UHFFFAOYSA-N	322.361	1.915	50	20	DDGD	
O=C(COc1c(Cl)cccc1Cl)N1CC[C@@H](B(O)O)C1	585073497	CENBXPOQWQJPAV-MRVPVSSYSA-N	317.965	1.448	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)C[C@H]2CCOC2)o1	739705374	GYEXEKREVRKTCP-GFCCVEGCSA-N	323.393	1.309	50	20	DDGD	
O=C(NNC(=O)c1ccc2nc(C(F)F)[nH]c2c1)NC1CC1	732063100	LFILQPIKFPUJOI-UHFFFAOYSA-N	309.276	1.607	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cnn1CC(C)C	831593268	JUGMEPDZPIVOTA-VXGBXAGGSA-N	323.397	1.425	50	20	DDGD	
CC(C)COc1ccccc1C(=O)NNC(=O)c1cnn(C)c1	735445228	PLUHUXMEWXFWQO-UHFFFAOYSA-N	316.361	1.530	50	20	DDGD	
CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1cccc(B(O)O)c1	584912248	LVQMNIQAXANJPP-RCBQFDQVSA-N	319.210	1.679	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c1	585039186	PJJMPGIJCPOWGB-CRAIPNDOSA-N	313.181	1.931	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cccc2cc[nH]c12	831694542	MCDUEUPLFYERKO-MWLCHTKSSA-N	302.334	1.746	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cccc(CN(C)C)c1	831212765	VJDRFKFILBTOIF-SMDDNHRTSA-N	320.393	1.326	50	20	DDGD	
COCCCSc1ccc(NCc2ccc(B(O)O)o2)cc1	585015886	CEDYWMKKFCPOJU-UHFFFAOYSA-N	321.207	1.700	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)Cc2ccccc2OC)n1	834944977	TXSLSAMZXQMWRX-UHFFFAOYSA-N	301.350	1.308	50	20	DDGD	
OB(O)c1ccc(-c2noc(C3C[C@@H]4[C@@H](C3)C4(F)F)n2)cc1	585051623	KKXGBHRPGBPPPJ-GHMZBOCLSA-N	306.077	1.175	50	20	DDGD	
COC(=O)c1csc(C(C)=NNC(=O)[C@@H]2CCCCO2)c1	834984606	CEBWJCHBSPWDFC-NSHDSACASA-N	310.375	1.944	50	20	DDGD	
CCC(C)(C)OCC(=O)NNC(=O)CCc1ccc(OC)cc1	837657879	FJOMDTLKRPZGDW-UHFFFAOYSA-N	322.405	1.980	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cnn3ccccc23)cc1	732258889	UUCYRDHIAGSGKR-UHFFFAOYSA-N	324.340	1.483	50	20	DDGD	
CN1/C(=C\C=NNC(=O)NCC(=O)O)C(C)(C)c2ccccc21	833698326	SKKNNWWWROHYKS-FSXHMEFGSA-N	316.361	1.668	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2c3ccccc3CC[C@@H]21)c1cccc(B(O)O)c1	585008597	JVXZENPEERNCMI-RCCFBDPRSA-N	321.185	1.215	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cccc2cc[nH]c12	831694545	MCDUEUPLFYERKO-ONGXEEELSA-N	302.334	1.746	50	20	DDGD	
CN1CCNC[C@@H]1C(=O)NN(Cc1ccccc1)c1ccccc1	911926157	RKJFRKFMUFTUHC-GOSISDBHSA-N	324.428	1.628	50	20	DDGD	
C=CC[C@@H](C)NC(=O)NNC(=O)c1ccc(OC)c(OC)c1	735089756	CHYRQPUSRPLERF-SNVBAGLBSA-N	307.350	1.612	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N2)C1	910055765	WHEOBICHSQALHL-VXGBXAGGSA-N	312.486	1.888	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)nn1	839462911	LZAAQNORZPHJBT-UHFFFAOYSA-N	314.389	1.762	50	20	DDGD	
O=C(CNC(=O)C1CC1)NNc1cc(C(F)(F)F)ccn1	832963178	SWWLDANPGDSBFV-UHFFFAOYSA-N	302.256	1.070	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](NC(=O)NNC(=O)[C@H]2CCCCO2)CCO1	836384618	KHMHYXSBDWZOAN-XQQFMLRXSA-N	313.398	1.090	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)NCC(F)(F)F)oc1C	917551354	JKUOVONWFCNRRC-UHFFFAOYSA-N	307.228	1.570	50	20	DDGD	
C#CCOCCNC(=O)NNc1cc(C(F)(F)F)ccn1	836397330	WRJXOOPSUJDNKS-UHFFFAOYSA-N	302.256	1.376	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1ccc(F)cc1)c1cnn(C)c1	749877146	XYBUIKWNNWHHOL-JTQLQIEISA-N	304.325	1.053	50	20	DDGD	
CC(C)(C)c1nc(CC(=O)NNC(=O)c2ncccn2)cs1	841353869	GORGEVNSSICIFD-UHFFFAOYSA-N	319.390	1.234	50	20	DDGD	
CCNC(=O)CCCC(=O)NNc1ccc(CC(=O)OC)cc1	846371405	DDURXPOAMDWMFZ-UHFFFAOYSA-N	321.377	1.152	50	20	DDGD	
CCN(C)c1ccc(C(C)=NNC(=O)C(=O)N2CCCC2)cc1	748076605	VYJCMOJLJODLJL-UHFFFAOYSA-N	316.405	1.605	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1ccc(OC2CCCC2)cc1	917720328	MCMLNJFMZHMUIS-UHFFFAOYSA-N	312.391	1.728	50	20	DDGD	
COC(=O)CCCC(=O)NNc1ccc(CC(=O)OC)cc1	846658127	IZBWKWHNIAZYTR-UHFFFAOYSA-N	308.334	1.189	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1c[nH]c2cc(C)ccc12	748259959	ZTHCAURDVYLVQE-GFCCVEGCSA-N	303.362	1.978	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H](C)CSc1ccc(F)cc1	910168029	YZSPVGKRYXQLCW-MNOVXSKESA-N	300.399	1.898	50	20	DDGD	
CC(C)C[C@H]1CCCN(C(=O)NNC(=O)c2ncccn2)C1	841592694	VZMGEGPJJKPYDJ-GFCCVEGCSA-N	305.382	1.589	50	20	DDGD	
CC(C)CCn1cc(C(=O)NNC(=S)NCC2CCC2)nn1	740942951	DVIJHWRPKMIUMY-UHFFFAOYSA-N	324.454	1.233	50	20	DDGD	
O=C(C[C@H]1C[C@H]2CC[C@H]1O2)NNc1cc(O)nc2ncccc12	913988297	UFNCEBDDXLLJER-GIPNMCIBSA-N	314.345	1.736	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@H]2CCN[C@@H](C)C2)c(F)c1	841990292	ZDVMOWYCUWJXFQ-ONGXEEELSA-N	324.356	1.379	50	20	DDGD	
O=C(O)COc1ccccc1C=NNC(=O)NC1CCCC1	743532070	MXGUKOWBOONPRC-UHFFFAOYSA-N	305.334	1.726	50	20	DDGD	
COc1cc(CNC(=O)NNc2ccc(Cl)nc2)ccn1	745429377	OFJHDCGWZBZPCL-UHFFFAOYSA-N	307.741	1.965	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)CN2CCCC2=O)cc1	916359174	NJHNMVZGCAXCPB-UHFFFAOYSA-N	303.362	1.548	50	20	DDGD	
COc1cccc(NNC(=O)c2cc(O)nc(C3CC3)n2)n1	847692638	SIOPVDGTTFBQBN-UHFFFAOYSA-N	301.306	1.220	50	20	DDGD	
CCN1CCC(=NNC(=O)[C@@H](C)CN2CCCCC2)[C@@H](C)C1	741454782	HLNUGLBUCKPMLD-GJZGRUSLSA-N	308.470	1.942	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)CC(F)(F)F)cc1OC	915261587	QTCVNNQIFUNVPW-UHFFFAOYSA-N	320.267	1.346	50	20	DDGD	
Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)NNC(=O)C(C)C	916132456	AHBRYPROLQFMBK-UHFFFAOYSA-N	317.393	1.239	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1scc2c1OCCO2	847283638	KTZRQZZBJSORCN-UHFFFAOYSA-N	300.336	1.689	50	20	DDGD	
Cc1cc(C)cc(-n2nc(C(=O)NN(C)C[C@@H](C)O)cc2C)c1	910151214	ACQRUZQYJACYSP-CQSZACIVSA-N	316.405	1.755	50	20	DDGD	
CO[C@@]1(C)CC(=NNC(=O)CNC(=O)c2cccnc2)C1(C)C	746578075	KJQKOCVPPFCVJX-INIZCTEOSA-N	318.377	1.119	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H](CN)CC(C)C	841954813	VREGLADAIJURLX-LLVKDONJSA-N	308.382	1.013	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C1CCOC[C@H]1CN1CCCCC1	842562524	QQWAGDWQIUAOHY-ZNMIVQPWSA-N	323.437	1.406	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(Cc2cncs2)CC1	913414725	RPWNSTDNAXYXOF-ZRDIBKRKSA-N	306.391	1.231	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccccc1Br	840999935	RKJAQKIJECPZHR-UHFFFAOYSA-N	315.171	1.341	50	20	DDGD	
C[C@@H](Oc1ccccc1Cl)C(=O)NNc1nccn(C)c1=O	747942385	FHYMNRKHAXOEQH-SECBINFHSA-N	322.752	1.344	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1Cc2ccc(Cl)cc2C1	743431640	YFLAMSCIVMJRMY-UHFFFAOYSA-N	305.765	1.533	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)NCC(C)(C)N)c(Cl)c1	841951616	VNTWIKNTRPRWTQ-UHFFFAOYSA-N	313.789	1.721	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@H]2CCC(=O)C[C@@H]2C)cc1	846378230	UVWPYTFGPMEKDR-NHYWBVRUSA-N	318.373	1.851	50	20	DDGD	
CCCn1cc(C(=O)NNc2ccc(CC(=O)OC)cc2)nn1	846377719	IXXGUUSDEOXUPB-UHFFFAOYSA-N	317.349	1.161	50	20	DDGD	
COc1nccnc1NNC(=O)c1cnc2n1[C@@H](C)CCC2	846260035	FCIOVLXGYGDLEG-VIFPVBQESA-N	302.338	1.336	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(Cl)c(C#N)c1	843663493	XVUNOZGHAVBWPN-GZMMTYOYSA-N	307.737	1.398	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@@]2(C)CCc3ccccc32)n1	844133942	HDTWTYHHBWSWLV-KRWDZBQOSA-N	311.389	1.890	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccoc1Br	843657761	RUSKMTFRWKLANM-BQBZGAKWSA-N	317.139	1.228	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1ccc(F)c(F)c1	748259993	OAXMDFAHPKJYIQ-SNVBAGLBSA-N	300.305	1.857	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)CCc1ccccc1)[C@H]1CCCNC1	841925584	AERXPLVUVSEUEM-HIFRSBDPSA-N	318.421	1.338	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)Cc1ccncc1)C1CCOCC1	747583462	KQLPWNQHUZZNAY-AWEZNQCLSA-N	320.393	1.160	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCO[C@H]1c1ccncc1)C1CCCC1	844329143	MOAJVBQZKNJAJL-KGLIPLIRSA-N	303.362	1.497	50	20	DDGD	
CCN(C[C@@H]1CCCO1)C(=O)NNC(=O)c1cccc(F)n1	852709777	FGKCMTJIPQMSJT-JTQLQIEISA-N	310.329	1.076	50	20	DDGD	
COC1(C(C)=NNC(=O)c2cncc(NC(C)=O)c2)CCC1	853323423	WTMAPHYVQALXIB-UHFFFAOYSA-N	304.350	1.715	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2nnn(C(C)(C)C)n2)c(O)c1	853294290	KKPOKIYDUIEBEW-UHFFFAOYSA-N	302.338	1.206	50	20	DDGD	
CC(=NNC(=O)c1nnc(O)c2ccccc12)c1cnn(C)c1	920827244	KBOOHNDBULTKPX-UHFFFAOYSA-N	310.317	1.223	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC(CCO)CC2)C[C@H]1Br	856957053	YVFAELZAEKNOPA-DGCLKSJQSA-N	319.243	1.964	50	20	DDGD	
COC(=O)c1coc(C=NNC(=O)Cc2ccc(F)cc2)c1	758085069	RKDPBJJCVXGXCB-UHFFFAOYSA-N	304.277	1.898	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C2CC(F)(F)C2)cc1	754015429	UAQWWFOBGICPLO-UHFFFAOYSA-N	313.304	1.300	50	20	DDGD	
Cc1cc(C=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)c(C)n1C	754913782	KUPJOQAKJLECBE-UHFFFAOYSA-N	315.333	1.896	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CCOc2c(F)cc(F)cc21	920373238	VZORBOJFGIFBFD-UHFFFAOYSA-N	311.288	1.092	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H]2C[C@@]23CCOC3)ccc1C	857267254	QNHGUTDQYOJBJY-CZUORRHYSA-N	304.346	1.651	50	20	DDGD	
CC1(C)CCC(C)(CNC(=O)NNC(=O)c2cn[nH]c2)CC1	858539520	GDUISJSZXIBBGY-UHFFFAOYSA-N	307.398	1.960	50	20	DDGD	
CC[C@@H]1CN(C(=O)NNC(=O)c2cccc(F)n2)C[C@H](C)O1	852709072	BGPJNEXTBXNXNV-VHSXEESVSA-N	310.329	1.074	50	20	DDGD	
C[C@]1(CNC(=O)NCCOC(F)(F)F)C[C@@H]1Br	856852070	MHILIQXZFLRVKY-POYBYMJQSA-N	319.121	1.996	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccc2cncn2c1	855089807	HJLFSHWTQRZNKG-UHFFFAOYSA-N	303.391	1.243	50	20	DDGD	
Cc1noc(CCCC(=O)NNC(=O)c2cccc(Cl)n2)n1	857325974	NNKCEBLUEUGBJB-UHFFFAOYSA-N	323.740	1.210	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)N[C@H]1CCC(=O)N(C)C1=O	922963586	UPHXRMCERHKYSV-NSHDSACASA-N	324.768	1.422	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc([N+](=O)[O-])cc2OC)n1	756814585	WWODXSAECHXBNB-UHFFFAOYSA-N	319.277	1.159	50	20	DDGD	
COC(=O)NCCNC(=O)NNc1cc(F)cc(Cl)c1	854117987	DVYZGYZFSVWDTG-UHFFFAOYSA-N	304.709	1.461	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21	750937043	PJKQQTNFYDKGOD-LPWJVIDDSA-N	315.373	1.938	50	20	DDGD	
CCC/C(C)=C\C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	920216764	QAUHSOWNMAJBPQ-FPAJZGIOSA-N	304.346	1.720	50	20	DDGD	
CC(=O)c1cccc(C(=O)NNC(=S)NCC2CCC2)c1	855090569	IAKAOUDBDCWPMX-UHFFFAOYSA-N	305.403	1.798	50	20	DDGD	
COc1cccc(NNC(=O)Cc2ccc(-n3cnnc3)cc2)n1	857483441	XSYCIUDXIKVBNX-UHFFFAOYSA-N	324.344	1.357	50	20	DDGD	
Cc1nnc2n1C[C@H](C(=O)NNc1ccc(F)cc1F)CC2	750787019	FMIVVPLFLOFIBV-SECBINFHSA-N	307.304	1.570	50	20	DDGD	
Cn1nc(C2CC2)nc1CC(=O)NNc1ccnc(Cl)c1	855462364	SHSRMHAMEDEOJP-UHFFFAOYSA-N	306.757	1.427	50	20	DDGD	
C[C@](O)(CNC(=O)NNC(=O)C1CCCC1)c1cccs1	753356298	XBMDAKQEUNLXMP-AWEZNQCLSA-N	311.407	1.476	50	20	DDGD	
COC(=O)CCC(C)=NNC(=O)CNc1cccc(OC)c1	756875191	FJUNPEZYMPANEO-UHFFFAOYSA-N	307.350	1.552	50	20	DDGD	
CC[C@@H](Oc1ccccc1C)C(=O)NNC(=O)c1cc[nH]n1	855357918	UYDUAZZSBOLWBW-GFCCVEGCSA-N	302.334	1.337	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccccc1F	854181445	WGLAGLGGMNZQGG-GHMZBOCLSA-N	302.309	1.124	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(Br)c(F)cc1F	757877753	PHFFQSZHJKFAMK-UHFFFAOYSA-N	322.109	1.691	50	20	DDGD	
CC(C)c1nnc(CCC(=O)NNc2ncc(F)cc2F)o1	857533342	UJYZXOSNBHOSAF-UHFFFAOYSA-N	311.292	1.942	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)c1ccc(OC)c(OC)c1	755391955	FPRMWRRXRNTUMR-UHFFFAOYSA-N	310.350	1.137	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2cc(C(C)C)n(C)n2)c1	862478865	TZBZUUCTHFZHSO-UHFFFAOYSA-N	306.391	1.988	50	20	DDGD	
COCCOCC(=O)NNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1	869907968	GZXXGCUINZXREJ-HZSPNIEDSA-N	312.410	1.403	50	20	DDGD	
CCN(CC)c1ccc(C=NNC(=O)[C@@H]2CCC(=O)N2)cc1	863146992	ZDFCSHKMTDTUNA-AWEZNQCLSA-N	302.378	1.262	50	20	DDGD	
Cn1cncc1CCC(=O)NNCC(F)(F)C(F)(F)F	863099476	FZISDXBCHNWUNV-UHFFFAOYSA-N	300.231	1.171	50	20	DDGD	
O=C(CCCCc1cnn[nH]1)NNCC(F)(F)C(F)(F)F	863100660	USWFYQYUMWSDDN-UHFFFAOYSA-N	315.246	1.336	50	20	DDGD	
CCOC(=O)C(F)(F)[C@@H]1CCC(=NNC(=O)c2cn[nH]c2)C1	863155147	ZESKPFHFZOANEE-SECBINFHSA-N	314.292	1.494	50	20	DDGD	
Cc1ccn2ncc(C(=O)NNc3ccc(Cl)nn3)c2c1	766854888	YHUHNZTXLJJMIX-UHFFFAOYSA-N	302.725	1.843	50	20	DDGD	
CCO[C@H]1COCC[C@H]1NC(=O)NNc1c(F)cccc1F	760129417	YQMJDBNFEZFXSO-NEPJUHHUSA-N	315.320	1.785	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CCC1(O)CCC1	868430855	JUHWCILTLITEBT-UHFFFAOYSA-N	306.362	1.080	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2CCSC2)c1C	761805469	RGWGMGZYTPTWLS-CHWSQXEVSA-N	322.430	1.971	50	20	DDGD	
CCCC[C@H](NNC(=O)COc1ccccc1F)C(=O)OC	762552677	LRLIRISUQAEFMY-LBPRGKRZSA-N	312.341	1.557	50	20	DDGD	
CCCOc1ccc(NCc2cccc(B(O)O)c2)cc1OC	863892453	XKVQNSQMYMLCCU-UHFFFAOYSA-N	315.178	1.776	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC(F)(F)[C@@H](CO)C1	867287398	DWMDVTSSSKGHBD-SECBINFHSA-N	319.801	1.531	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1	766640512	QMNTYUNCKFXMHC-YUMQZZPRSA-N	301.268	1.558	50	20	DDGD	
Cc1ccc(CO[C@H](C)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	862095220	JCZBYIXYBUTMHN-GUTXKFCHSA-N	320.389	1.473	50	20	DDGD	
COc1ccc(NNC(=O)CN2[C@H](C)CC[C@H]2C)c([N+](=O)[O-])c1	769309152	CSLLKAZAYUFRFS-GHMZBOCLSA-N	322.365	1.919	50	20	DDGD	
Cc1cc(-c2nnco2)ccc1NCc1ccc(B(O)O)cc1	864025335	PCBUMYPKJNKKJS-UHFFFAOYSA-N	309.134	1.337	50	20	DDGD	
Cc1cc(=NNC(=O)/C=C\CN(C)CC(F)(F)F)cc[nH]1	862513404	FCOCXPJUWOIFMH-ARJAWSKDSA-N	302.300	1.305	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2csc(Cl)c2Cl)N1	863153210	PFJKRWDZRPRIAK-LURJTMIESA-N	306.174	1.784	50	20	DDGD	
CC(C)(C)c1ccc(CCC(=O)N2CC[C@H](B(O)O)C2)cc1	864234738	UYADSVUSAFLXKU-HNNXBMFYSA-N	303.211	1.992	50	20	DDGD	
C[C@@H](CNS(=O)(=O)CBr)N1CCC[C@@H](C)C1	769934444	UKBLTKXQENELSS-ZJUUUORDSA-N	313.261	1.379	50	20	DDGD	
CCO[C@H](CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	760211637	OAEDZYFOVXSBKB-CYBMUJFWSA-N	323.349	1.807	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)c2ccc(Cl)cc2O)nn1	766556774	VNHLCBZMGDMUTB-UHFFFAOYSA-N	323.740	1.122	50	20	DDGD	
Cn1ncc(C(=O)NNc2ncc(F)cn2)c1C(F)(F)F	1116397480	PDXSOMGEVQYMTG-UHFFFAOYSA-N	304.207	1.125	50	20	DDGD	
CCN1C[C@H](C(=O)NNC(=S)Nc2cccc(C)c2)CC1=O	873774472	MVWLNGZFUFGXEM-LLVKDONJSA-N	320.418	1.181	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NNc1ccc(F)cn1	874652256	ZSWJMXYOEMMGSR-UHFFFAOYSA-N	312.345	1.969	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc(F)c1Cl)c1ncn(C)n1	875516525	GRWLTMOKIUUIFM-SSDOTTSWSA-N	312.736	1.995	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)N[C@@H]2CC23CCC3)c1	876426744	KSTDIBPWYDHYKF-CQSZACIVSA-N	317.389	1.955	50	20	DDGD	
CC(Cc1cccc(C)c1)=NNC(=O)[C@H]1CCS(=O)(=O)C1	872339415	KBPOFIHMBKXXON-AWEZNQCLSA-N	308.403	1.464	50	20	DDGD	
Nc1cnnc(NNC(=O)NCCc2nccs2)c1Cl	1116289551	RJFDZAVLOMUHCU-UHFFFAOYSA-N	313.774	1.038	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1cccc(CN2CCCC2)c1	875063168	ULKSJIWRXOTBEA-UHFFFAOYSA-N	320.393	1.695	50	20	DDGD	
O=C(NN=Cc1ncc(C2OCCO2)s1)c1ccccc1O	772989332	FTQBJLBJSJYRPI-UHFFFAOYSA-N	319.342	1.658	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)Nc1cccc(F)c1	1116290566	KAUGRWCQUAKVMS-UHFFFAOYSA-N	317.324	1.894	50	20	DDGD	
COc1cccc2c1OCCCC2=NNC(=O)c1cc[nH]n1	872387517	BCIUDYKYTQAENM-UHFFFAOYSA-N	300.318	1.725	50	20	DDGD	
CN(CC(=O)NNc1cc(Cl)ccn1)[C@H]1CCSC1	778446965	MNWHCHKOZFBIDD-JTQLQIEISA-N	300.815	1.615	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccccc1)Cc1ccoc1	772719061	WDHWDQUACDIHAX-UHFFFAOYSA-N	301.346	1.563	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)c2ccccc2F)c1C1CC1	877941881	OHQHIEOZTRHPEP-UHFFFAOYSA-N	316.336	1.994	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc(OC)cc1Cl	872403863	VTEGACWQARNGSW-UHFFFAOYSA-N	300.742	1.462	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(Cl)cc(C(=O)OC)c1	878767884	QOIZXFOYFZKZIH-UHFFFAOYSA-N	315.757	1.741	50	20	DDGD	
CCC[C@@H](C)CC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	772064471	CRCPZDRTVIPVMN-NEPJUHHUSA-N	300.399	1.938	50	20	DDGD	
CN1CC[C@@H](C(=O)NNC(=O)c2cccc3ccccc23)C1=O	773130585	GWWWCDIDGLTAJR-AWEZNQCLSA-N	311.341	1.079	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)COc1c(C)cccc1C	771904591	PGOLFAWXEQSCLM-LBPRGKRZSA-N	322.361	1.171	50	20	DDGD	
CC[C@H](C)n1nccc1C(=O)NNC(=S)NCC1CCC1	1123833138	XDFGZPXLRFLQIA-JTQLQIEISA-N	309.439	1.763	50	20	DDGD	
CC(C)CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1ccc[nH]1	1123581170	QDLLQGYJQFVXGK-ZDUSSCGKSA-N	320.393	1.203	50	20	DDGD	
O=S(=O)(CCCCl)N[C@H]1CCO[C@]2(CCSC2)C1	882002117	YTWGEPVMCFSOGQ-WDEREUQCSA-N	313.872	1.589	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCC(c2nc(C)c(C)[nH]2)CC1	886664439	MLZGGIIOWMBZCM-GFCCVEGCSA-N	321.425	1.152	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(S(C)(=O)=O)cc2)nc1	781534000	ROVVZYAPOIKXBP-UHFFFAOYSA-N	321.358	1.251	50	20	DDGD	
C#CCCCCCC(=O)NNC(=O)CNc1ccccc1OC	780331155	NXXOHXMWBZHZFT-UHFFFAOYSA-N	317.389	1.838	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)COC(=O)/C(C#N)=C\C1CC1)C(=O)OC	786678268	QEKIVVAQGSABAR-PEHPHXHYSA-N	322.361	1.093	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@H]1CCCN1c1ccccc1	787879055	XQKBXKFSFFUGAE-LLVKDONJSA-N	315.295	1.755	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2ccc(C#N)cc2)nc(C)n1	783326729	NKONDNOQTPTAJD-UHFFFAOYSA-N	310.317	1.047	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc2c(c1)OCCCO2	883060046	UWJCVKBGTFGESW-UHFFFAOYSA-N	320.345	1.036	50	20	DDGD	
CN(C)[C@@H](C(=O)NN=c1cc[nH]cc1)c1cccc(Cl)c1	780757232	WIRDBFVATUSSAR-CQSZACIVSA-N	304.781	1.903	50	20	DDGD	
COc1ccc2nc(C=NNC(=O)C(=O)NC(C)C)sc2c1	788708706	LNDLRAPPKMBLHP-UHFFFAOYSA-N	320.374	1.280	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H]2CO[C@@H](C)C2)c1	784146716	VHDIQDWZAOOGSA-STQMWFEESA-N	306.362	1.255	50	20	DDGD	
CN(CC(=O)NNc1nc2ccccc2n1C)CC(C)(C)C	897739799	POIGXQNXZDNGGF-UHFFFAOYSA-N	303.410	1.994	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)nc1	899663386	DRVOOUWTZLQOBW-LBPRGKRZSA-N	313.361	1.187	50	20	DDGD	
CCc1csc(-n2cc(C(=O)NN=c3cc[nH]cc3)cn2)n1	780760820	CWVXGYXMXNGDNH-UHFFFAOYSA-N	314.374	1.465	50	20	DDGD	
CC[C@H](O)[C@@H](C)C(=O)NNC(=O)COc1ccc(C)c(C)c1	899940400	MFIOPKIHOBCVHN-OCCSQVGLSA-N	308.378	1.237	50	20	DDGD	
CCc1cncc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1	789867658	DQEHUNBFWAOCLU-UHFFFAOYSA-N	314.301	1.627	50	20	DDGD	
COc1ccc(NNC(=O)c2cccc([N+](=O)[O-])c2O)nc1	781533950	DMVPLGZGYJYAHS-UHFFFAOYSA-N	304.262	1.461	50	20	DDGD	
CC(C)(O)C(=O)NN=C1CN(Cc2ccccc2)C(C)(C)C1	785457733	FUMZYSAPNTZXIP-UHFFFAOYSA-N	303.406	1.914	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2ccc(Cl)nc2)cc1	783039770	SZHJFHRMEFSPCK-UHFFFAOYSA-N	320.736	1.825	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C[C@H]1NC(=O)c2ccccc21	895510993	XGLBTHUTJPJQKU-LLVKDONJSA-N	305.334	1.417	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)NCC(F)(F)F)CC1	798314268	DRMLDWJUGWZIEW-UHFFFAOYSA-N	315.295	1.919	50	20	DDGD	
C[C@@H](NC(=O)CCc1ccccc1)C(=O)NNc1cccnn1	799719588	RAALTGRQWPXNLF-GFCCVEGCSA-N	313.361	1.057	50	20	DDGD	
CC(C)OC(=O)CC[C@@H](C)NS(=O)(=O)CBr	795243247	ZWFCQGKFUPLTOR-MRVPVSSYSA-N	316.217	1.379	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1[nH]nnc1-c1ccccc1	797755736	NPHZHYITEOYULU-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cn2ccc3ccccc32)o1	794291782	YUYGWPKSXOQBAX-UHFFFAOYSA-N	308.297	1.567	50	20	DDGD	
CC(=NNC(=O)Cc1ccccc1F)C(C)(C)n1cncn1	794509485	AGIJVPWYSUZMKI-UHFFFAOYSA-N	303.341	1.887	50	20	DDGD	
CC#CCCCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	798307838	HPVWPXNZODXDIL-UHFFFAOYSA-N	315.373	1.583	50	20	DDGD	
COc1cc(NNC(=O)[C@@H](C)CS(C)(=O)=O)ccc1Cl	790168246	HTXLIUWNZUNRHL-QMMMGPOBSA-N	320.798	1.472	50	20	DDGD	
Cc1oc(-c2ccco2)nc1CC(=O)NNC(=S)NC(C)C	1318114280	OXXMLKJNRLFWQK-UHFFFAOYSA-N	322.390	1.689	50	20	DDGD	
O=C(CCO)NN=Cc1cc2c(cc1Br)OCO2	1318924142	QKQLPGNXBVXGBN-UHFFFAOYSA-N	315.123	1.010	50	20	DDGD	
Cc1nn(CCO)c(C)c1C=NNC(=O)NC1CCCCC1	1321993360	GFCMHYCECGLRRO-UHFFFAOYSA-N	307.398	1.458	50	20	DDGD	
Cn1cc(Cl)c(C(=O)NNc2ccc(C(C)(C)C)nn2)n1	1329640236	UTNBWZSFEJVGSK-UHFFFAOYSA-N	308.773	1.918	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C1CCNCC1)[C@H](C)c1ccccc1	1325311022	MFVKRTAZBYEHLU-STQMWFEESA-N	318.421	1.509	50	20	DDGD	
C[C@@H](COc1ccccc1F)NC(=O)NNc1ncncc1F	1326194341	UWZZQELONXOLNJ-VIFPVBQESA-N	323.303	1.848	50	20	DDGD	
CCOc1cnc(C(=O)NNc2ccc(C(C)(C)C)nn2)cn1	1324244757	WMQDLCASSKQJDS-UHFFFAOYSA-N	316.365	1.720	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cccs1)Cc1nccs1	746671242	MFJMTYKFFCFTND-UHFFFAOYSA-N	310.404	1.098	50	20	DDGD	
CC1=NO[C@@](C)(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)C1	1337249836	GVTDBRMSLMCMHS-OAHLLOKOSA-N	319.365	1.778	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccc2c(c1)CCCN2C	1332601853	MWVMZZWTVRJNOZ-UHFFFAOYSA-N	306.366	1.481	50	20	DDGD	
COc1cc(O)c(C=NNC(=O)C2CCOCC2)cc1OC	1333215384	OHRYGAAQAOOHLY-UHFFFAOYSA-N	308.334	1.286	50	20	DDGD	
CCOC(=O)C[C@@H]1CCCCC1=NNC(=O)C[n+]1ccccc1	1256370670	RRRIWOAUCZJDQM-AWEZNQCLSA-O	318.397	1.590	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NC1CC2(CC(N)C2)C1	1337070047	HJCUJKBCUYKDLL-UHFFFAOYSA-N	316.405	1.138	50	20	DDGD	
C#CC[C@H](CCOC)NC(=O)NNc1ccc(C(C)(C)C)nn1	1331555246	NWNBGXJPKDLTQO-GFCCVEGCSA-N	319.409	1.829	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H]1CCCCN1C(=O)CC(C)C	1346735594	REBBZJYJLOKNDB-GFCCVEGCSA-N	312.414	1.106	50	20	DDGD	
Nc1cnnc(NNC(=O)N[C@H]2CCC[C@H](F)C2)c1Cl	1345742960	VTVAAVPTICZNGZ-BQBZGAKWSA-N	302.741	1.619	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)c2cncn2-c2ccccc2)C1	1346071843	ZJTFRHRDEQPEOU-LLVKDONJSA-N	312.329	1.003	50	20	DDGD	
Cc1ccc(NNC(=O)NCCC(=O)N2CCC[C@@H](C)C2)nn1	1349175638	JWDKZGODZGAMNN-LLVKDONJSA-N	320.397	1.060	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H](C(=O)NNc2cccc3c2CCCC3)O1	1602177109	LYHPOGJMWPHCON-KGLIPLIRSA-N	304.346	1.641	50	20	DDGD	
C[C@@]1(C(=O)N2C[C@@H](C(=O)O)[C@H](C3CC3)C2)C[C@H]1Br	1604486428	WJFJNRSPVFKYES-DCJFZGGZSA-N	316.195	1.729	50	20	DDGD	
O=C(NCCC1(F)CCC1)NNc1cccc(-c2nn[nH]n2)c1	1606758324	QJLVSMZFLKORIM-UHFFFAOYSA-N	319.344	1.775	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1ccnn1CC1CCC1	1606528333	AHLXGNUFKAPRAR-UHFFFAOYSA-N	315.333	1.533	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@H](O)C2CCCCC2)ccc1F	1602286874	RZFCHVXDSRUHLF-CYBMUJFWSA-N	310.325	1.908	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cnc3nccn3c2)c(F)c1	1602384785	XHGGKDKMOSAPAJ-UHFFFAOYSA-N	315.264	1.324	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2ncccc2[N+](=O)[O-])c(F)c1	1608875003	FOTTXQAWPPMNNS-UHFFFAOYSA-N	320.236	1.584	50	20	DDGD	
N#C[C@@H](CCc1ccccc1)C(=O)NNc1ccc(C(=O)O)cn1	1601049560	ZXTLHNFIYYNOQK-CYBMUJFWSA-N	324.340	1.995	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1ccc(-c2nn[nH]n2)c(F)c1	1604413867	LBGMHYIULWZAGQ-CSKARUKUSA-N	316.296	1.066	50	20	DDGD	
CC(CCc1ccccc1)=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549317221	WAOXWODJSSVODW-DLBZAZTESA-N	315.417	1.975	50	20	DDGD	
O=C(NN=C1CCc2ccsc21)[C@H]1CN2CCC[C@H]2CO1	1549321951	WLDGTPZMIYIVHV-WCQYABFASA-N	305.403	1.378	50	20	DDGD	
CC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1	1824182037	RJEMMTOYNMCGFA-KGLIPLIRSA-N	316.829	1.226	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@]12C[C@H]1CCCN2)c1ccccc1	1576938754	LBDWNGQSLFTSII-KEYYUXOJSA-N	301.390	1.470	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2ccn(C)c2)C1	1842345901	HXDBDMALNBISQO-ZDUSSCGKSA-N	323.824	1.860	50	20	DDGD	
COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)C(C)(C)F)C1	1842850556	WRYRQMAAOVBEPN-SNVBAGLBSA-N	320.792	1.192	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cc[nH]n2)C1	1841698630	VKMIJQGYAHLDBB-NSHDSACASA-N	324.812	1.634	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@H]1CC[C@H]1C(=O)O	1594706631	LAUGFQCYPXSMIS-GHMZBOCLSA-N	310.737	1.141	50	20	DDGD	
CCOC[C@@H](C(=O)O)N(C)C(=O)[C@H](Br)C(C)(C)C	1596867538	ADLKZEXRSYGFFU-IUCAKERBSA-N	324.215	1.744	50	20	DDGD	
CO[C@H]1CCN(C(=O)C2CCC(Cl)CC2)[C@@H](C(=O)O)C1	1599119697	NDMBIMYKLOLYHP-MMVSWEMESA-N	303.786	1.875	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@H]1CCC=CO1	1593161510	YLIGUBLXSCGQJS-LLVKDONJSA-N	320.740	1.656	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)Cc1cn(C)nc1C	1599377212	OFBHSOXCXHVVKA-UHFFFAOYSA-N	318.333	1.121	50	20	DDGD	
CC(C)OCCCNC(=O)/C(C#N)=C/c1cncc(C(=O)O)c1	1776351848	DFDBIWLMFMHNAE-AWNIVKPZSA-N	317.345	1.618	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2ccn(CC(F)F)n2)cc1	1776101371	DVFJGOFCWVGIIR-UHFFFAOYSA-N	322.271	1.610	50	20	DDGD	
CC(C)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl	1796806183	WMLNMFKSMZGURC-JXUBOQSCSA-N	308.756	1.907	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)Cn2c(C)cc(O)cc2=O)c1	158987347	MOMOECSTYIAWIR-UHFFFAOYSA-N	301.346	1.622	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1cccc(OCCC)c1	152970343	RYFWEXKSDWWRFS-UHFFFAOYSA-N	307.419	1.699	50	20	DDGD	
NC(=O)c1ccc(OCC(=O)NNc2ccccc2F)cc1	153012756	HENFDKZLOTWNRX-UHFFFAOYSA-N	303.293	1.447	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H](C)Cc2ccccc2F)n1	155898905	YNYGOUUJBIZWOI-JTQLQIEISA-N	304.325	1.946	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)C(C1CC1)C1CC1	156444018	XMGQFGCUNZAYLF-UHFFFAOYSA-N	302.374	1.908	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCN(Cc2ccco2)CC1	228325515	FDWBOWFGFTZXPP-UHFFFAOYSA-N	320.842	1.746	50	20	DDGD	
Cc1ccc(C(=O)O)cc1S(=O)(=O)NCC(Cl)Cl	310713530	VRZPEMUZZWRXAG-UHFFFAOYSA-N	312.174	1.775	50	20	DDGD	
O=C(NNc1ncccc1Cl)c1ccc2[nH]c(=O)[nH]c2c1	172267080	UBUNLTMPDUVCLR-UHFFFAOYSA-N	303.709	1.662	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Nc1cccnc1	56501764	PTANEKBQRUWVEL-UHFFFAOYSA-N	300.318	1.486	50	20	DDGD	
COc1ccccc1[C@H](C)CC(=O)NNC(=O)c1cccn1C	103064516	KOLGVQDHWNCHSL-GFCCVEGCSA-N	315.373	1.989	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cncn1-c1ccccc1	103424614	AWIWHPCFGNLLLO-UHFFFAOYSA-N	321.340	1.271	50	20	DDGD	
CCc1c(C(=O)NNc2nccc(OC)n2)cnn1CC(C)C	118988575	QDFWCHPLEPDFOB-UHFFFAOYSA-N	318.381	1.657	50	20	DDGD	
C[C@H]1CCC[C@H]1NC(=O)NNC(=O)COc1ccc(C#N)cc1	105310215	ODQLMFMMLCOBHQ-SMDDNHRTSA-N	316.361	1.456	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@H]1CCOc2ccc(F)cc21	69461832	HYVMBSPCIRBYMM-AAEUAGOBSA-N	323.324	1.159	50	20	DDGD	
CC(C)(C)[S@@](=O)CCNC(=O)NNc1ccc(Cl)nn1	116968015	QYUOZHPSGDXZHL-HXUWFJFHSA-N	319.818	1.303	50	20	DDGD	
CCN(CC)C(=O)N1CCC(C(=O)NNc2cnccn2)CC1	114882212	ZSZDNKGBDGYKIK-UHFFFAOYSA-N	320.397	1.094	50	20	DDGD	
Cc1ccc2ncc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)n2c1	178766045	MWCWROGQCCBGTJ-MYWXAZLQSA-N	310.357	1.845	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2C[C@@H]2C2CC2)cc1C	175523683	MXRGNAMMLGUPPE-ZIAGYGMSSA-N	315.373	1.435	50	20	DDGD	
O=C(CCC1CCOCC1)NNC(=O)c1cccc([N+](=O)[O-])c1	173009946	QLOTVYZHQRVANF-UHFFFAOYSA-N	321.333	1.563	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)C(=O)NNC(=S)N[C@H](C)C1CC1	175542997	DZSWRDHDCOMZRQ-HTQZYQBOSA-N	310.423	1.689	50	20	DDGD	
CC(C)[C@H](c1ccccc1)N(C)CC(=O)NNC(=O)C1CC1	112982121	CYAMVJSVTDVOSF-MRXNPFEDSA-N	303.406	1.873	50	20	DDGD	
Cn1cc(Cl)cc1C(=O)NNc1nc(-c2ccncc2)no1	170831195	VGXMNKKOOZLERR-UHFFFAOYSA-N	318.724	1.880	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)c1ccc[nH]1)c1ccccc1	119636272	RJFIBKVQOAMCFS-UHFFFAOYSA-N	300.362	1.937	50	20	DDGD	
COCC(=O)NN[C@H](C(=O)OC)c1ccc(Cl)cc1Cl	126082946	NDODAQJHZLVTCQ-NSHDSACASA-N	321.160	1.475	50	20	DDGD	
CSC[C@H](C)C(=O)NNC(=O)c1c(C)nc2ccccn12	66819609	XIIMRPLMTSBLBM-VIFPVBQESA-N	306.391	1.403	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)c2ccncc2)c1-c1ccccc1	121209107	SMACMWNZIJOIBM-UHFFFAOYSA-N	321.340	1.557	50	20	DDGD	
CC[C@@H]1C[C@H](C(=O)NNC(=O)COc2ccc(F)cc2)CCO1	183340755	HXRZCKOUTPLBMP-DGCLKSJQSA-N	324.352	1.557	50	20	DDGD	
Cc1noc(C)c1CCNC(=O)NNc1nc2ccccn2n1	188724303	WLNCGPBEMCBFPC-UHFFFAOYSA-N	315.337	1.203	50	20	DDGD	
O=C(NCc1cnn(Cc2ccccc2)c1)NNc1cccnn1	77348272	YFIXCYWTMBVWKP-UHFFFAOYSA-N	323.360	1.548	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc(N(C)C)nc2ccccc12	185676873	HGZUALBJKDZOGC-UHFFFAOYSA-N	301.350	1.217	50	20	DDGD	
CNC(=O)/C(C#N)=C\c1cn(-c2ccc(F)c(Cl)c2)nn1	180927968	QKSTXPFMDDTJSM-YWEYNIOJSA-N	305.700	1.713	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2oc(C)cc2C)cn1	78397338	WYLGGOYLCXESIQ-UHFFFAOYSA-N	320.374	1.931	50	20	DDGD	
CCCSCC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	48383860	MFXXTECDZKMFEL-SNVBAGLBSA-N	314.382	1.884	50	20	DDGD	
C=CCc1ccc(OCC(=O)NNC(=O)C(C)(C)C)c(OC)c1	77219051	ZPDGPOHNZGRKKG-UHFFFAOYSA-N	320.389	1.996	50	20	DDGD	
CCCOCC(=O)NNC(=O)c1cc2ccccc2cc1O	132341066	FMDOUGKETMEYPS-UHFFFAOYSA-N	302.330	1.733	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1n[nH]c2ccc([N+](=O)[O-])cc12	182433253	JENGTLZMMWNSKV-UHFFFAOYSA-N	316.252	1.762	50	20	DDGD	
CCNC(=O)CNC(=O)/C(C#N)=C\c1ccc(OCC)cc1	192902590	XQGAQKGHHHRVRZ-LCYFTJDESA-N	301.346	1.245	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1n[nH]c2c1CCCCC2	190573219	DSVTUAXGOCMXGM-UHFFFAOYSA-N	313.361	1.077	50	20	DDGD	
O=C(CCc1cccc([N+](=O)[O-])c1)NNC(=O)NCC1CC1	87193078	DIZNACCCSJQPJQ-UHFFFAOYSA-N	306.322	1.268	50	20	DDGD	
O=C(NNC(=O)c1ncc(F)cc1F)c1cccc([N+](=O)[O-])c1	192031847	OYPYOLBMCPDANZ-UHFFFAOYSA-N	322.227	1.343	50	20	DDGD	
CC(C)C[C@@H](C)NC(=O)NNc1ccc(-n2cccn2)nn1	133431232	NPVWDXICLIAAND-LLVKDONJSA-N	303.370	1.723	50	20	DDGD	
O=C(CCc1ccncn1)NNc1ccc(C(F)(F)F)nn1	191874397	UCASUXOCMOPQQM-UHFFFAOYSA-N	312.255	1.361	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cc(C(C)C)n(C)n1	266917391	JAOSNKMIRZPOPA-UHFFFAOYSA-N	300.362	1.927	50	20	DDGD	
COc1ccc(C(=O)NNc2nc(C)cc(OC)n2)c(OC)c1	266962663	UUAPZQLOWFZDIC-UHFFFAOYSA-N	318.333	1.568	50	20	DDGD	
Cc1c(NNC(=O)C2(C#N)CCOCC2)cccc1[N+](=O)[O-]	269588266	FAMARVZUWCSIDT-UHFFFAOYSA-N	304.306	1.667	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)CNc1ccccc1OC	265768485	CCDNZAAYXBHSLI-UHFFFAOYSA-N	318.333	1.119	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1csc(Nc2ccccn2)n1	265665317	QEGLUOONYXGTBT-UHFFFAOYSA-N	317.374	1.843	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC[C@H](CC(N)=O)C1	366461345	LJIBKHFLTSLNJR-SCZZXKLOSA-N	305.216	1.520	50	20	DDGD	
C[C@H]1c2nncn2CCN1C(=O)[C@@H](Br)C(C)(C)C	276897416	NIZIYIQJCFCMKF-DTWKUNHWSA-N	315.215	1.991	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@]2(O)CCc3ccccc3C2)n1	368553770	QMSJBRVSLOZKLL-KRWDZBQOSA-N	312.373	1.457	50	20	DDGD	
CCOC(=O)c1cc(NC(=O)NNC(=O)[C@H](C)CC)cn1C	273454528	PIRGLNOIKOUAFE-SECBINFHSA-N	310.354	1.401	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H]2C[C@@]23CCOC3)c1	368092216	JNFVSJNLCUKXTR-WMLDXEAASA-N	318.373	1.256	50	20	DDGD	
C[C@H](NC(=O)NNc1cc(F)c(F)c(F)c1)c1ncnn1C	276954394	RTDUFBUPHLUICT-LURJTMIESA-N	314.271	1.620	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNC(=O)c1ccc2ccccc2n1	276535731	DLUUQVYWXAPNDP-CYBMUJFWSA-N	319.386	1.110	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1nc(C2CCC2)cs1	279457468	UDNWZQIDLJSXHG-MRVPVSSYSA-N	324.406	1.543	50	20	DDGD	
CC[C@H]1C[C@@H](CC(=O)NNC(=O)CNc2ccccc2)CCO1	272900895	PQZANWAIIFRVLJ-ZFWWWQNUSA-N	319.405	1.841	50	20	DDGD	
COc1cc(C)c(S(=O)(=O)NNC(=O)N(C)C)cc1Cl	278668834	KZXXIFYXLGZEEO-UHFFFAOYSA-N	321.786	1.122	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H]1CCCC[C@H]1N1CCOCC1	370567652	DHXOBIYJAGFKPJ-MSIAHBHRSA-N	307.394	1.190	50	20	DDGD	
C=C(CBr)CN1CCOC[C@H]1c1noc(C)n1	375680158	RELYJEYLTFPOAK-JTQLQIEISA-N	302.172	1.702	50	20	DDGD	
Cc1c(C(=O)NNc2ccc(C(F)(F)F)cn2)nnn1C	274755819	PNWZVXWJYIACHG-UHFFFAOYSA-N	300.244	1.294	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@@H]1Cc2ccccc2O1	370568868	NSJYHECZXHTSSM-INIZCTEOSA-N	321.336	1.975	50	20	DDGD	
CC(C)OC[C@H]1CN(C(=O)NNC(=O)c2ccccc2)CCO1	376324661	ZBCXBDGQCCMOFU-CQSZACIVSA-N	321.377	1.167	50	20	DDGD	
NC(=O)NCCCCC(=O)NNc1cccc(F)c1[N+](=O)[O-]	280703613	SHAHMLQCEAQIGQ-UHFFFAOYSA-N	313.289	1.016	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2nccc(C(F)F)n2)nn1	288865746	PZSDUXQPVAYXBB-UHFFFAOYSA-N	309.280	1.339	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccc(C)cc2)c(=O)cc1C	286979433	DDKIKSXIILIPMX-UHFFFAOYSA-N	315.373	1.868	50	20	DDGD	
CSCC[C@H](O)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	294399936	IIDWPVCNIRZOEY-JTQLQIEISA-N	319.770	1.805	50	20	DDGD	
COCCOc1cccc(CC(=O)NNc2cccc(F)n2)c1	804766561	KMCZFPTVXKQBDN-UHFFFAOYSA-N	319.336	1.932	50	20	DDGD	
O=C(Cc1ccc(Br)cc1)NNC(=O)CC1CC1	294312333	XTPIBJZDWDTKBK-UHFFFAOYSA-N	311.179	1.939	50	20	DDGD	
Cn1c(=O)oc2cc(NC(=O)NNc3cccc(F)n3)ccc21	806257194	XXSIKULISOOJOG-UHFFFAOYSA-N	317.280	1.814	50	20	DDGD	
CCC[C@H](C(=O)NNC(=O)c1cnn(C)c1)c1ccccn1	806882367	UBSNHSJMMANKHV-LBPRGKRZSA-N	301.350	1.160	50	20	DDGD	
CC(F)(F)CCNC(=O)NNC(=O)COCc1ccccc1	296509214	SODRWLVENYYLRE-UHFFFAOYSA-N	315.320	1.579	50	20	DDGD	
CCc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)[C@@H]1CCCO1	297383013	LCEVHOCBHRVYFN-LBPRGKRZSA-N	322.321	1.489	50	20	DDGD	
CC(C)(C)c1nc(C(=O)NNC(=O)[C@H]2CCCCO2)cs1	295628710	SHDLSOGZIFLGDZ-SNVBAGLBSA-N	311.407	1.771	50	20	DDGD	
C[C@H](C1CC1)N(CC(=O)NNC(=O)c1ccc(F)cc1)C1CC1	298005960	YKXWMDZRQPTPQS-LLVKDONJSA-N	319.380	1.850	50	20	DDGD	
COc1ncc(C)cc1NC(=O)NNC(=O)[C@@H]1CCCCO1	296764826	HAZBMFSGNLCSMI-NSHDSACASA-N	308.338	1.120	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@@H]1CCN(C2CC2)C1	298672301	JQMWYYPVBPJJLR-ZDUSSCGKSA-N	316.405	1.423	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)C(F)(F)C1(O)CCC1	803433302	KRUFBYQHORJPOX-UHFFFAOYSA-N	323.299	1.522	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2cccc(F)c2)ccn1	806996352	UMLHANLGWUKCPR-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
COc1ccc([N+](=O)[O-])c(C(=O)NNc2cccc(F)n2)c1	804767267	FUFPHYIBHVIURJ-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3	299148398	XGKXZOJKFHFQRA-VIFPVBQESA-N	300.362	1.867	50	20	DDGD	
Cc1nn(-c2ccccn2)c(C)c1C=NNC(=O)c1cnccn1	802708537	KNAMMROUMLZRFB-UHFFFAOYSA-N	321.344	1.438	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1ccc(C(=O)NC2CC2)cc1	815001940	FDDZDXLIUYUNPZ-UHFFFAOYSA-N	323.356	1.551	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1cn(C(C)C)cn1	811216336	JIJOKEUFYLULMX-LLVKDONJSA-N	324.381	1.203	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1cnc2sccn2c1=O	816628082	HBVZKRXASQWCJF-UHFFFAOYSA-N	306.174	1.632	50	20	DDGD	
O=C1CC[C@]2(C(=O)NNc3ccc(F)cc3F)SCCN12	811872151	ZUZWPQVPMUTBQV-CYBMUJFWSA-N	313.329	1.473	50	20	DDGD	
COc1ccc2c(c1OC)OCC2=NNC(=O)c1c[nH]nc1C	814852331	SXCMRHBTLDIQDX-UHFFFAOYSA-N	316.317	1.262	50	20	DDGD	
CC(C)(C)c1nc(CC(=O)NNC(=O)c2ccnnc2)cs1	817694136	UCUGLDGNFFKPDI-UHFFFAOYSA-N	319.390	1.234	50	20	DDGD	
O=C1CCc2cc(C(=O)NNc3ncncc3F)ccc2N1	817080346	KLJYCSXPEVRAOF-UHFFFAOYSA-N	301.281	1.257	50	20	DDGD	
CC1(C)COc2ccc(C(=O)NNC(=O)NCC3CC3)cc21	810584797	VNPSEOVFXUSOPP-UHFFFAOYSA-N	303.362	1.711	50	20	DDGD	
CCCN(CC)C[C@H](C)NC(=O)NNc1ccc(OC)cn1	811977945	KEJBVXDBLQHSIS-LBPRGKRZSA-N	309.414	1.837	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCOc2c(Cl)cccc21	814760733	DCNWBWHEPHXVRA-UHFFFAOYSA-N	321.764	1.565	50	20	DDGD	
CN(NC(=O)c1c[nH]nc1-c1ccc2c(c1)OCO2)C1CC1	819649939	ODQIEJXNAAWXMF-UHFFFAOYSA-N	300.318	1.544	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)c2c[nH]nc2C)c(OC)c1	814840685	TYHZENCVFLGNPS-UHFFFAOYSA-N	302.334	1.889	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)N=c2cc[nH]cc2)[nH]c1C	815002735	OPDNUNQGBRPZBL-UHFFFAOYSA-N	315.333	1.472	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@H]1CCN(C)C1=O	813079488	MMPHACBMDLYRNP-ZDUSSCGKSA-N	304.394	1.975	50	20	DDGD	
CC(C)(C#N)[C@H]1CCCC1=NNC(=O)CNC(=O)c1ccco1	814826941	NYZJKBSHIWRXAX-NSHDSACASA-N	316.361	1.831	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=Cc2c[nH]c(C(=O)O)c2)c1	814732175	ASIMVASBBWKJRD-UHFFFAOYSA-N	300.318	1.543	50	20	DDGD	
O=C(Cc1ccc2c(c1)NC(=O)C2)NNc1cccc(Cl)n1	817011908	ONILCLSZOYCFEP-UHFFFAOYSA-N	316.748	1.915	50	20	DDGD	
CC(=O)Nc1cccc(CC(=O)NNc2nc(C)cc(C)n2)c1	819053075	BLHFDAGGJGILQK-UHFFFAOYSA-N	313.361	1.738	50	20	DDGD	
CC(=NNC(=O)CCc1ccccc1O)c1csc(N)n1	729934929	FRXIQCVSBKEPOC-UHFFFAOYSA-N	304.375	1.904	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CCOc1ccc(C(N)=O)cc1	819850296	VECJZJRCROTJSQ-UHFFFAOYSA-N	319.188	1.817	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)c2cccc(C#N)c2)c2c1CCCC2	825699822	JPVOLAFUPUAXFF-UHFFFAOYSA-N	323.356	1.245	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)Cn2ccc(C)n2)c1	822196042	SMRVTAWKJNAVBW-UHFFFAOYSA-N	316.361	1.035	50	20	DDGD	
COc1cc(C(C)=NNC(=O)CN(C)C)cc(OC)c1OC	727650122	VQHHPJOVQCJEIE-UHFFFAOYSA-N	309.366	1.114	50	20	DDGD	
Cc1ccccc1CCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	825558939	VBYKXDBGKLRPBZ-TZMCWYRMSA-N	305.378	1.293	50	20	DDGD	
CN1CCC(N(Cc2ccco2)S(=O)(=O)CCl)CC1	829877056	UMQFRHRONMVOKI-UHFFFAOYSA-N	306.815	1.702	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CCC(F)(F)C2)cc(C#N)n1C	490813464	PMMVDQOOUHBMGM-XGICHPGQSA-N	304.300	1.980	50	20	DDGD	
CCCc1cc(O)nc(SCC(=O)NNC(=O)C(C)C)n1	828519259	JXYVDDXGJWQTCL-UHFFFAOYSA-N	312.395	1.030	50	20	DDGD	
Cc1oc(-c2ccccc2F)nc1C(=O)NN(C)[C@@H](C)CO	823952978	VUUVHCKKUCTAGS-VIFPVBQESA-N	307.325	1.747	50	20	DDGD	
CCOc1cccc2c1OCC(C(=O)NN(C)[C@@H](C)CO)=C2	823971753	ZBYQJSAQZHCEEB-NSHDSACASA-N	306.362	1.205	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)n1	828352825	FPKODLQEPLKODL-FRRDWIJNSA-N	305.382	1.019	50	20	DDGD	
O=C(NNC(=O)c1cc2n(n1)CCCC2)c1cccc(Cl)c1	823524081	QDVNEFHFVPDLFL-UHFFFAOYSA-N	318.764	1.948	50	20	DDGD	
CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)NN(C)CCOC	496530031	VBFYABLHAIVHCR-HNNXBMFYSA-N	317.430	1.537	50	20	DDGD	
CO[C@@H](CC(C)C)CS(=O)(=O)NNC(=O)OC(C)(C)C	495993300	PZQANCDZYIQDQY-JTQLQIEISA-N	310.416	1.407	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc2c(c1)cc(C)c(=O)n2C	496685571	WGPYOUCCUZXBJS-UHFFFAOYSA-N	318.333	1.630	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(OC)cc1OCC1CC1	823878972	CAUJULAKCKFZDA-UHFFFAOYSA-N	308.378	1.443	50	20	DDGD	
Cn1cc(-c2nn[nH]n2)cc1C(=O)NNc1cc(Cl)ccn1	826357318	AAWDKMUQGUXGNX-UHFFFAOYSA-N	318.728	1.011	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccc(SC)c(Cl)c1	495366915	KJUAZXNSNKSNMJ-UHFFFAOYSA-N	317.754	1.388	50	20	DDGD	
C[C@H](Cc1ccc(O)cc1)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	825895557	OQCZFFDVGIPUGH-GYSYKLTISA-N	321.377	1.079	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNc1cccc(S(C)(=O)=O)c1	820646076	DERZFSDXVHGYDQ-NSHDSACASA-N	309.391	1.518	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CN(C)CC(C)(C)C	821720920	TXEVQGQUJZWNDK-UHFFFAOYSA-N	307.394	1.894	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1cc(C(C)(C)C)oc1C	827869623	GNXYYAPIPDKJFD-UHFFFAOYSA-N	312.366	1.310	50	20	DDGD	
C[C@@]1(C(=O)NCCc2ccc(O)c(O)c2)C[C@@H]1Br	907057931	TWEGIWUXUZOSTQ-WCQYABFASA-N	314.179	1.930	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCOc1ccc2ccccc2c1	823923083	OYGHQARZDVWCIM-CYBMUJFWSA-N	302.374	1.953	50	20	DDGD	
CCc1noc(CC)c1CNC(=O)/C(C#N)=C\c1cnn(C)c1	491108083	WYVCDFCUJIGBRO-SDQBBNPISA-N	313.361	1.756	50	20	DDGD	
O=C(CCCF)NNC(=O)c1cccc(Br)c1	828961329	NYVMTEMNAMCPRB-UHFFFAOYSA-N	303.131	1.960	50	20	DDGD	
CC[C@@H](C)Oc1cc(CN2CC[C@H](B(O)O)C2)ccc1OC	585076236	KOQWGTMFEKODGH-OCCSQVGLSA-N	307.199	1.921	50	20	DDGD	
CCN(Cc1occc1C)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	827259566	KQKIKTILEQCNPL-NWDGAFQWSA-N	309.366	1.576	50	20	DDGD	
Cc1ccc(C)c(C2=NO[C@@H](C(=O)NNC(=O)C(C)(C)C)C2)c1	900221015	IASPZQKRGOUTQB-CQSZACIVSA-N	317.389	1.990	50	20	DDGD	
CCN(CCO)NC(=O)CCc1cc(Br)cs1	823855836	HEVQOZZPPSIECC-UHFFFAOYSA-N	321.240	1.789	50	20	DDGD	
O=C(NNC(=S)NC(C1CC1)C1CC1)c1ccccc1O	734754142	NCVNSHYHMXIGAF-UHFFFAOYSA-N	305.403	1.690	50	20	DDGD	
O=C1Nc2cc3c(cc2C1=NNC(=O)C1CCC1)OCCCO3	731934417	ZAJHUBXZWNCZLA-UHFFFAOYSA-N	315.329	1.420	50	20	DDGD	
CC(C)(C)[C@H](NC(=O)c1ccc(B(O)O)cc1)c1ccccc1	584931640	COFPAYQHYUKDND-MRXNPFEDSA-N	311.190	1.884	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H](COC)[C@@H]2CCCO2)cc1	838573846	PNYIKHZPPHRJPO-CABCVRRESA-N	323.393	1.905	50	20	DDGD	
O=C(NNc1cccc(Br)n1)[C@H]1CCCOC1	837210556	RSIHCAYVOICGOP-QMMMGPOBSA-N	300.156	1.714	50	20	DDGD	
N#Cc1cccc(C(=O)NN=Cc2cccc(OCC(=O)O)c2)c1	733204528	RWZBRGZKIZFTBQ-UHFFFAOYSA-N	323.308	1.786	50	20	DDGD	
Cc1nccn1CCCNC(=O)[C@]1(C)C[C@H]1Br	906355332	DUFQPWVQWNEGQK-ZYHUDNBSSA-N	300.200	1.871	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)C2CC2)ccnc1Br	836676629	AOMXSZIRJRXPTI-UHFFFAOYSA-N	313.155	1.715	50	20	DDGD	
C[C@@H](NCc1ccc(B(O)O)cc1)[C@H](O)c1ccc(Cl)cc1	585024913	HEIKZRUGBUPJND-BZNIZROVSA-N	319.597	1.232	50	20	DDGD	
CCO[C@@H]1CCC[C@H]1NC(=O)NNc1nc2ccccn2n1	838725688	OCTFCBKZPAWEPG-GHMZBOCLSA-N	304.354	1.313	50	20	DDGD	
C[C@@H]1c2nnc(C3CCCC3)n2CCN1S(=O)(=O)CCl	831543353	GFJYKADYFRLFEU-SECBINFHSA-N	318.830	1.838	50	20	DDGD	
CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2cccc(B(O)O)c2)C1(C)C	585000358	LJXDOLOGOOPECN-UONOGXRCSA-N	319.210	1.078	50	20	DDGD	
CCCN1CCC[C@@H](C(=O)NNC(=O)c2ccccc2F)C1	905089890	OWQAONBLUGOCOX-GFCCVEGCSA-N	307.369	1.709	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(O)cc1	730576713	UXOAQIQVVFYXOH-NSHDSACASA-N	310.375	1.057	50	20	DDGD	
O=C(c1cc2nc(Cl)ccc2s1)N1CC[C@@H](B(O)O)C1	585068315	ZYYMBKDLPLCWPB-SSDOTTSWSA-N	310.571	1.639	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccccc2F)[C@@H]2CCCC[C@H]2N1	830767215	XKFWJPNIZZVUDT-GMXVVIOVSA-N	305.353	1.964	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cccc(OCC#N)c1	831291221	LANAFJKXHHSMNO-GWCFXTLKSA-N	318.333	1.167	50	20	DDGD	
COC(=O)c1ccc(CCNC(=O)NNC(=O)C2CCC2)cc1	732238510	MIMXXIZTMADMNN-UHFFFAOYSA-N	319.361	1.146	50	20	DDGD	
O=C(NN=Cc1cccc(O)c1O)c1cccc(-c2nn[nH]n2)c1	738128515	FHBJVZVNKYTERZ-UHFFFAOYSA-N	324.300	1.042	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccccc1-n1cccc1	732259692	WJYNXEMCDUXCFP-UHFFFAOYSA-N	320.352	1.876	50	20	DDGD	
CC(C)CO[C@@H]1CC(=NNC(=O)CN2CCCC2=O)C1(C)C	737422469	GLTQOFOUHZHANL-CYBMUJFWSA-N	309.410	1.552	50	20	DDGD	
O=C(CN[C@@H]1CCC[C@@H]2C[C@@H]21)NNC(=O)c1ccc(F)cc1	830579459	HDVDRAQYOMKJBL-KWCYVHTRSA-N	305.353	1.365	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2	837312000	HEZNCVDCTQEHCW-CYZMBNFOSA-N	304.321	1.131	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H]2CCOC[C@H]2OCC)cc1	838553079	RKDFUKXEBPYVCV-HUUCEWRRSA-N	323.393	1.905	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1c[nH]ccc1=Nc1ccccc1	911443920	BLEAFKMDBCVILU-GFCCVEGCSA-N	300.362	1.205	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNc1cc(C#N)cc(Cl)n1	839719125	ZISMRTXSKIQMGW-SECBINFHSA-N	310.741	1.639	50	20	DDGD	
CCOC(=O)C[C@@H](NS(=O)(=O)CCl)c1ccccc1	830200258	BCJOUQYLBFWPGX-LLVKDONJSA-N	305.783	1.797	50	20	DDGD	
CO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)CCOc1ccccc1	836263299	UPJZKHXHUPBSMD-ZIAGYGMSSA-N	321.377	1.353	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CCN2CCCC2=O)ccc1F	837037547	MPMNQAKTWWZVIL-UHFFFAOYSA-N	323.324	1.068	50	20	DDGD	
CCO[C@@H]1CCC[C@H]1NC(=O)NNc1ncc(F)cc1F	838725432	CAMJEYIKWJKTEH-GHMZBOCLSA-N	300.309	1.944	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cccc(-c2cnn(C)c2)c1	741676461	LCMPIVOKZWAPOB-UHFFFAOYSA-N	301.350	1.441	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCOc1ccc(Cl)c(F)c1	910138261	FQDJYYDRJZKXQL-VIFPVBQESA-N	304.749	1.592	50	20	DDGD	
O=C(NN=C1CCc2ccc(F)cc21)[C@@H]1CCS(=O)(=O)C1	748780358	IWGHCXALZRJUQM-SNVBAGLBSA-N	310.350	1.027	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1occc1Br	748253694	RHXOKSNWAXMTSO-QMMMGPOBSA-N	319.155	1.544	50	20	DDGD	
O=C(COCCc1ccccc1)NNC(=O)CC(F)(F)F	746877568	PNMQJIUQLUTLJI-UHFFFAOYSA-N	304.268	1.346	50	20	DDGD	
CN(C)c1nccc(NNC(=O)CSCc2ccncc2)n1	740103718	ZPYDSNNWPFYCPC-UHFFFAOYSA-N	318.406	1.314	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(C)C[C@H]2CCCCO2)c1	745983420	NNKMZSSGBISKIM-OAHLLOKOSA-N	319.405	1.257	50	20	DDGD	
COc1cccc(C2(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)CC2)c1	843656560	PLENBVSKQKYNHO-SMDDNHRTSA-N	318.373	1.299	50	20	DDGD	
O=C(NCC1CC1)NNS(=O)(=O)c1ccc(Cl)c(F)c1	844650123	SVJTWRFSOGREON-UHFFFAOYSA-N	321.761	1.382	50	20	DDGD	
CCO[C@@H](C)c1ncc(C(=O)NNC(=O)c2cccnc2)s1	742465376	LDROKZIDLGUPCD-VIFPVBQESA-N	320.374	1.710	50	20	DDGD	
CN(C)C(=O)NNC(=S)Nc1ccc(OC(F)F)cc1	745730388	SHGDJJPHQHHZLS-UHFFFAOYSA-N	304.322	1.761	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](Cc2ccccc2)[C@@H]1C	746675021	AWRINWKUEGPFMV-DZKIICNBSA-N	317.433	1.885	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)Nc2cc(C)nn2C)cc1	844488211	QPDBZLNXHPKYFK-UHFFFAOYSA-N	317.349	1.593	50	20	DDGD	
NC(=O)N1CCC[C@H](C(=O)NNc2cc(F)c(F)c(F)c2)C1	748804922	IWBVQIOPUQRIEX-ZETCQYMHSA-N	316.283	1.338	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@H]1CCC(=O)NC1	840547236	DFOOAJYXMJIJSU-QMMMGPOBSA-N	311.773	1.223	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H]1CCCN(Cc2cccnc2)C1	749163475	CMXKBQZQWYNYHC-HNNXBMFYSA-N	318.421	1.487	50	20	DDGD	
CC(C)Oc1ccccc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843650350	BJZWWAHUIISDKH-NWDGAFQWSA-N	306.362	1.660	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)N=c1cc[nH]cc1)[C@@H]1CC1(C)C	841593623	IIRZIIGPQASGHO-RYUDHWBXSA-N	305.382	1.664	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN(Cc1ccccc1)C1CC1	744384996	GINRDZSIDJSSIH-UHFFFAOYSA-N	303.406	1.845	50	20	DDGD	
O=C(NC[C@@H]1CCCN1)NNC(=O)c1ccc(Cl)cc1F	841937846	CPNYWYTVQQXZAS-VIFPVBQESA-N	314.748	1.175	50	20	DDGD	
COc1ccc(C(=O)NNc2nc(C)cc(OC)n2)c(O)c1	746694433	VXZQFFKOBPMDEV-UHFFFAOYSA-N	304.306	1.265	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1nc(Cl)sc1Cl	848157277	FLZMEGFIFZFJRO-YFKPBYRVSA-N	324.189	1.780	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)C)ccc1N1CCOCC1	843767187	AWJQEYKRRGSPDH-UHFFFAOYSA-N	319.405	1.639	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCN(CC2CC2)CC1	866547881	DCICRJFPULSAGQ-UHFFFAOYSA-N	308.875	1.609	50	20	DDGD	
O=C(NCC1CCCCCCC1)NNC(=O)c1ncccn1	841580923	JERRYYFZZSRXOM-UHFFFAOYSA-N	305.382	1.781	50	20	DDGD	
O=C(NCc1nc([C@@H]2CCCO2)n[nH]1)NNc1ccc(F)cc1	847402959	WXHOJVYJXXVUEQ-NSHDSACASA-N	320.328	1.622	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)Cc1cccc(OC(F)(F)F)c1	910160207	HJOMORKGEKKWHD-VIFPVBQESA-N	306.284	1.472	50	20	DDGD	
Cc1cc(C)cc(C2(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)CC2)c1	843641263	BGIHMMGUYDGQBD-UKRRQHHQSA-N	316.401	1.907	50	20	DDGD	
COc1ccc(C(=O)NN=C[C@H](OC)[C@H]2CCOC2)c(OC)c1	841623885	OUIOYAFHHLEAKW-NHYWBVRUSA-N	322.361	1.471	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=C2COC(C)(C)C2)n1	841602166	ATZNNQBIFYHZBV-UHFFFAOYSA-N	308.407	1.857	50	20	DDGD	
CC[C@H](C#N)C(=O)NNC(=O)c1ccc(CN(CC)CC)o1	845284734	DOQMGDWNWBJTTM-LLVKDONJSA-N	306.366	1.432	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1	749142727	RJHFCHNTZYONDJ-UHFFFAOYSA-N	312.391	1.635	50	20	DDGD	
C[C@@H](N)CNC(=O)NNc1ccc(F)cc1Br	841983677	FKJMIGYXAOOWEC-ZCFIWIBFSA-N	305.151	1.562	50	20	DDGD	
COC/C(C)=C/C(=O)NNC(=O)NCc1ccc(Cl)cc1	845994914	NBTSJPCBVKEZTK-JXMROGBWSA-N	311.769	1.763	50	20	DDGD	
CSCCCNC(=O)NNc1ncc(Br)cn1	847321519	VFMVSOJDAJDKHV-UHFFFAOYSA-N	320.216	1.618	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNC(=O)c1cccc(Cl)c1	929259065	OXMWIDLWIVELIM-GHMZBOCLSA-N	310.737	1.300	50	20	DDGD	
COc1ccccc1-c1nn(C)cc1C(=O)NNC(=O)C(C)C	740813891	YYGNXQMHENVQSD-UHFFFAOYSA-N	316.361	1.513	50	20	DDGD	
CSc1cccc(F)c1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843658861	WIROOQUFIHMCNX-RKDXNWHRSA-N	312.366	1.734	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccccc1CSc1nc[nH]n1	920500060	MMIRWGYBXOFIAM-UHFFFAOYSA-N	319.390	1.514	50	20	DDGD	
NC(=O)c1csc(C=NNC(=O)Cc2ccc(F)cc2)c1	755886893	QPSARKDJAWYZGW-UHFFFAOYSA-N	305.334	1.679	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@]1(C#N)CC12CCCC2	854285054	FTZFHNJTJIVTDG-HNNXBMFYSA-N	324.450	1.334	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2cccnc21)NC1CCCCC1	854192571	QBFPUMNZHFTYOO-ZDUSSCGKSA-N	302.378	1.775	50	20	DDGD	
C[C@H](CBr)COC(=O)CNC(=O)N1CCCC1	923011125	KNGYLVGTCAIBLD-SECBINFHSA-N	307.188	1.366	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N[C@H](C)c1cnn(C(C)C)c1	754805455	IVOHKGPOGWBDCO-OLZOCXBDSA-N	323.441	1.697	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCC1CCN(CC2CC2)CC1	852707788	KXBSRLNUTOZVEA-UHFFFAOYSA-N	310.442	1.485	50	20	DDGD	
CC1CCN(C[C@H](C)NC(=O)NNc2ncncc2F)CC1	852603907	WPVXMVHAYXJBAP-NSHDSACASA-N	310.377	1.362	50	20	DDGD	
CN(C)CCCNC(=S)NC[C@]1(C)C[C@H]1Br	857204482	SNDMVHAONTZONV-KOLCDFICSA-N	308.289	1.576	50	20	DDGD	
CCC(=NNC(=O)CCc1ccccc1O)c1ccn(C)n1	758113029	XMKQCWDTTUJGKI-UHFFFAOYSA-N	300.362	1.989	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CCC2(C)CC2)cc1	929381324	ICSCDYJLZQKKKZ-UHFFFAOYSA-N	303.362	1.661	50	20	DDGD	
CC[C@@H]1CC[C@@H](C)N(CC(=O)NNC(=O)c2ccccc2)C1	852592423	PHJYFPMDOKQDMY-ZIAGYGMSSA-N	303.406	1.958	50	20	DDGD	
CN(CCC(=O)NNC(=O)C1CCOCC1)C1CCCCC1	923062753	RKVMTHXFHZLXDA-UHFFFAOYSA-N	311.426	1.215	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CCc3nnnn3CC2)cc1F	856231628	FMUOAWCKQWZTBO-JTQLQIEISA-N	304.329	1.216	50	20	DDGD	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)c1cccn1C	920622829	BPKNUBZMHSERAN-LLVKDONJSA-N	312.329	1.125	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@]2(C)CCOC2)c(C)c1	757737270	VLTVQGKOFATAEI-MRXNPFEDSA-N	305.378	1.289	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C2CC3(CC3)C2)cc1	854510662	QNDHISDCABHZRL-UHFFFAOYSA-N	302.374	1.965	50	20	DDGD	
C[C@H]1C[C@@H]1c1ccc(CCC(=O)NNC(=O)c2cc[nH]n2)o1	855362755	UKTOIZFYSWJMBA-ONGXEEELSA-N	302.334	1.520	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=Cc2ccnn2CC2CC2)cc1	853265554	YBCLVHMPGLPJDF-UHFFFAOYSA-N	323.356	1.694	50	20	DDGD	
C[C@@H]1CC[C@H](CCC(=O)NNC(=O)c2cccc(Cl)n2)O1	857325698	HQSJHRONEICSPU-NXEZZACHSA-N	311.769	1.844	50	20	DDGD	
Cn1cc([C@@H](CO)NC[C@@H](CBr)C2CC2)cn1	859249508	DLGLVUXZTJWAFM-ZYHUDNBSSA-N	302.216	1.464	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNc1nc(-c2ccncc2)no1	859072964	MQLRPXCXOCOSKY-NSHDSACASA-N	305.338	1.780	50	20	DDGD	
Cn1nc(/C=C(\C#N)S(=O)(=O)NC2CC2)c2ccccc21	853007642	YDJQKEJXSIUKKW-DHZHZOJOSA-N	302.359	1.520	50	20	DDGD	
CC(C)[C@@H]1C[C@H](CC(=O)NNC(=O)c2cccc(F)n2)CCO1	856422712	BWRCXPYSSUKZMU-YPMHNXCESA-N	323.368	1.823	50	20	DDGD	
O=C1CC[C@H](CC(=O)NNc2cc(C(F)(F)F)ccn2)CN1	857515037	COEGZKIGGHEHAL-MRVPVSSYSA-N	316.283	1.460	50	20	DDGD	
Cn1cc([C@@H](CO)NC[C@H](CBr)C2CC2)cn1	859249505	DLGLVUXZTJWAFM-CMPLNLGQSA-N	302.216	1.464	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1cn(-c2ccccc2)nn1	755700485	HXJGCALTRCGQNJ-UHFFFAOYSA-N	306.329	1.355	50	20	DDGD	
Cc1ncc(NC(=O)NNC(=O)COc2ccccc2F)cn1	756373453	WJZWWMVRDZXYAB-UHFFFAOYSA-N	319.296	1.156	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C(F)(F)CC	854194084	QROGLMHBXBOPSW-UHFFFAOYSA-N	316.304	1.657	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccc(F)cc1OC1CCCC1	757733327	SGLVUGUOUWXWBO-UHFFFAOYSA-N	311.313	1.292	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(C#N)c2)CCO1	769715791	XYUYMTRPLHEBNC-MFKMUULPSA-N	302.334	1.070	50	20	DDGD	
CCc1ccc(Br)cc1C(=O)NNC(=O)NC	930587270	SWSSBCWMYHIIBY-UHFFFAOYSA-N	300.156	1.585	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CCSC2)c(C)c1	762441686	OMGRPQDRALHBPN-GFCCVEGCSA-N	307.419	1.616	50	20	DDGD	
C#CCC(C)(C)C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	767651614	DURSJYNAKBUCNG-UHFFFAOYSA-N	316.357	1.349	50	20	DDGD	
CC1(c2ncc(C(=O)NNc3ccnc(F)c3)s2)OCCO1	860695826	SZRAZXSJHQWJBU-UHFFFAOYSA-N	324.337	1.654	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNC(=O)c2cccc(Cl)n2)[nH]n1	768275604	CEQFUOCERQUHLR-UHFFFAOYSA-N	321.768	1.830	50	20	DDGD	
CCCCn1ncc(C(=O)NNc2nccn(C)c2=O)c1CC	760837036	HPIMUHXCNSSIOP-UHFFFAOYSA-N	318.381	1.096	50	20	DDGD	
Cc1ccc(F)c(CN(C)CC(=O)NNC(=O)C(C)(C)C)c1	769908181	KNZUNPUGLGJHBY-UHFFFAOYSA-N	309.385	1.759	50	20	DDGD	
COCc1nc2cc(NCc3cccc(B(O)O)c3)ccc2o1	864022483	PAGLHMBBIJURGS-UHFFFAOYSA-N	312.134	1.266	50	20	DDGD	
CCO[C@@H](CC(=O)NNC(=O)c1cccc(N(C)C)c1)C(C)C	760268638	DNEZYJLZYYQCLU-HNNXBMFYSA-N	321.421	1.965	50	20	DDGD	
CCn1cc(C(=O)NNc2ccc(S(C)(=O)=O)cc2)c(C)n1	860315768	SAGIMNFOIBRKHN-UHFFFAOYSA-N	322.390	1.372	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C=NNC(=O)[C@@H]2CCO[C@H]2C)c1C	863122326	DFNNZAHNYDTPCL-NWDGAFQWSA-N	321.377	1.683	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNCC(F)(F)C(F)(F)F	863094829	UUIMHPUVBQTOPY-ZETCQYMHSA-N	308.247	1.246	50	20	DDGD	
N#C[C@@]1(C(=O)NNC(=S)Nc2ccccn2)CC12CCCC2	874956041	IVGVYSHSAUUSRJ-OAHLLOKOSA-N	315.402	1.873	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc[nH]1	875421823	UNSCWDFEUWOERD-MJBXVCDLSA-N	302.378	1.396	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@@H](C)C(=O)OC(C)(C)C)cc[nH]1	875704339	KQYWOCFAXUUJQQ-SNVBAGLBSA-N	308.382	1.416	50	20	DDGD	
Cc1nccc(NC(=O)NNC(=O)COCc2ccccc2)n1	776495753	IXJFCGJOUOXIIL-UHFFFAOYSA-N	315.333	1.155	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1c[nH]c2cccc(OC)c12	778649478	GGRPUORWVSYKKL-UHFFFAOYSA-N	318.377	1.850	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc2oc(N(C)C)nc2c1	878959270	JPSBZDGEQJGBLU-UHFFFAOYSA-N	307.310	1.629	50	20	DDGD	
CC[C@@]1(C)COCCN1CC(=O)NNC(=O)c1cccs1	777713403	QBACMIXERMWUOF-AWEZNQCLSA-N	311.407	1.010	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2O)c[nH]1	779183194	TUASACXFNYHCNY-UHFFFAOYSA-N	304.693	1.320	50	20	DDGD	
CC[C@@H](C)Oc1cc(CNC(=O)NN(C)C(=O)OC)ccn1	875464275	HVPDTOIPCPZRPH-SNVBAGLBSA-N	310.354	1.671	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc2c(c1)CC(C)(C)O2	872402532	GTNHYFJJFTZRGJ-UHFFFAOYSA-N	306.362	1.513	50	20	DDGD	
N[C@H]1C[C@H](CNC(=O)NNC(=O)c2cccc3ccccc23)C1	1119480700	XNMJNYTZKXEBFD-AULYBMBSSA-N	312.373	1.521	50	20	DDGD	
CCO[C@H](CC)C(=O)NNc1cccc(S(C)(=O)=O)c1	776715118	QBKIYJFOOBPVDR-GFCCVEGCSA-N	300.380	1.348	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H]1CCCN1CC(=O)NNC(=O)C(C)(C)C	773541847	FEXSCLLNVAJHIM-GFCCVEGCSA-N	321.425	1.357	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CN(C)C(C)C)c1	874949881	HMWVJSQRSLOMFH-UHFFFAOYSA-N	304.419	1.326	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)C1	771596704	ZADNJTRQIBDEOP-JTQLQIEISA-N	324.312	1.436	50	20	DDGD	
C[C@@H](CC(N)=O)C(=O)NNc1cc(Br)ccc1F	885147863	QFEHWNPYYMHHOW-LURJTMIESA-N	318.146	1.543	50	20	DDGD	
CC(=NNC(=O)CO)c1ccc(S(=O)(=O)C2CCCC2)cc1	776782698	SZVXIMFEFYVWCE-UHFFFAOYSA-N	324.402	1.235	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccnc(C(=O)OC(C)(C)C)c1	1123433768	AOTVBWYXXSAJTQ-UHFFFAOYSA-N	324.381	1.652	50	20	DDGD	
COc1nc(C)ccc1C(=O)NNC(=O)CNc1ccccc1	777521414	SHONMAQSBGRMHQ-UHFFFAOYSA-N	314.345	1.272	50	20	DDGD	
N#CSCCCNC(=O)C[C@@H]1Oc2ccccc2NC1=O	773586631	QOISVBTZIVVRAH-LBPRGKRZSA-N	305.359	1.497	50	20	DDGD	
C[C@H](COCC(F)(F)F)NS(=O)(=O)CBr	782424809	HVYCLOQYPQOOPF-RXMQYKEDSA-N	314.123	1.226	50	20	DDGD	
CC(C)(C)c1nnc(CNS(=O)(=O)CCCCl)s1	881987010	MAFRIGCJRUBUBV-UHFFFAOYSA-N	311.860	1.884	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNc2ccc(OC(F)F)cc2)n1	782018128	ITNUTUJNDTYORJ-UHFFFAOYSA-N	322.271	1.539	50	20	DDGD	
C[C@H](Cc1ccccc1)NC(=S)NNC(=O)NCC1CC1	786066415	GFZRTWLZVVLLFS-LLVKDONJSA-N	306.435	1.706	50	20	DDGD	
NC(=O)c1ccccc1C=NNC(=O)Cc1cn2ccccc2n1	788716171	QAVCBIHFNKPAOC-UHFFFAOYSA-N	321.340	1.126	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNc1cccc(C(=O)OC)c1	780789545	FWDBSPNKLVFTBT-UHFFFAOYSA-N	302.334	1.526	50	20	DDGD	
CO[C@@H](C)CCC(=O)OCC(=O)NNC(=O)c1cccc(C)c1	782436179	YRRUIIQOSANPPI-LBPRGKRZSA-N	322.361	1.114	50	20	DDGD	
CON(C)C(=O)c1ccc(NC(=O)NNC(=O)C(C)C)cc1	782573824	NBTKSYYFRMUYHY-UHFFFAOYSA-N	308.338	1.129	50	20	DDGD	
O=C(O)[C@H](CNS(=O)(=O)CBr)c1ccccc1	788454564	MACJJLVJKPMARY-SECBINFHSA-N	322.180	1.127	50	20	DDGD	
N#CC1=CCN(C(=O)COc2ccc3c(c2)CCC(=O)N3)CC1	780684785	ABSQKBGZIAEDMB-UHFFFAOYSA-N	311.341	1.632	50	20	DDGD	
CC(=NNC(=O)c1ccc(-n2cnnn2)cc1)[C@]1(C)CCCO1	782168597	JFSDOCRGLTUYPJ-HNNXBMFYSA-N	314.349	1.337	50	20	DDGD	
C[C@@H]1CN(C(=O)C(=O)NNc2ccccn2)c2ccccc2O1	784797920	KIMWMRDAONTGFC-LLVKDONJSA-N	312.329	1.339	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCC(=NNC(=O)CNc2ccccc2)C1	788408062	PSEMNBRVGXKGSB-CQSZACIVSA-N	323.418	1.558	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C[C@@H]1C(=O)Nc2c(F)cccc21	894255634	RITJRFKSUWPMEV-JTQLQIEISA-N	321.352	1.835	50	20	DDGD	
Cc1cnc(NC(=O)C(=O)NNc2cccnc2Cl)s1	784838657	AISWIPDPHPYJSD-UHFFFAOYSA-N	311.754	1.582	50	20	DDGD	
Cc1nc(CNC(=O)NNc2ccccc2C(F)(F)F)n[nH]1	898373818	AYZWVLRRGZNJJG-UHFFFAOYSA-N	314.271	1.958	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1ccc2occc2c1	794878756	ISVLJKMPZBUXFF-CYBMUJFWSA-N	315.373	1.851	50	20	DDGD	
N#Cc1ccc(C[C@H](C#N)C(=O)NNC(=O)c2ccc[nH]2)cc1	792026312	REZNYKKEULEZJZ-CYBMUJFWSA-N	307.313	1.030	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)C(=O)c1ccccc1	792160124	SQNSONJQSOIPOZ-UHFFFAOYSA-N	309.285	1.458	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@H]1COc2ccccc2O1	791249889	ZCWZVGDNEYKTIO-GFCCVEGCSA-N	311.301	1.012	50	20	DDGD	
CS(=O)(=O)c1ccc(NC(=O)NNc2ncccc2F)cc1	796588916	YCZDGOLLGYOZEO-UHFFFAOYSA-N	324.337	1.773	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCC(=O)NCC(F)F	797763846	WZBFPAZGNHGQLY-MRVPVSSYSA-N	315.158	1.294	50	20	DDGD	
O=C(CN1C[C@H]2C=C[C@H]1C2)NNC(=O)c1ccccc1Cl	791291291	SRXNXTBFVTUZMM-QWRGUYRKSA-N	305.765	1.361	50	20	DDGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNc2ccnc(N(C)C)n2)C1	795120625	LAENMDVVNAZIGY-VXGBXAGGSA-N	307.398	1.581	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CSc1ccc(C)cc1)C(=O)OC	790121884	YSAZHGCEKNUEEM-LBPRGKRZSA-N	324.402	1.434	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cc(F)c(F)cc1Cl	799435384	JJHNWQJZTIJJME-UHFFFAOYSA-N	318.707	1.806	50	20	DDGD	
C=C(CBr)COC(=O)c1c([N+](=O)[O-])cnn1C	795573017	CXSWOUSXMWOHBL-UHFFFAOYSA-N	304.100	1.436	50	20	DDGD	
O=C(CSCc1ccc2c(c1)OCO2)NNC(=O)C1CC1	794543049	AYMHJZIZGCMEBW-UHFFFAOYSA-N	308.359	1.206	50	20	DDGD	
C=CCNC(=S)NNC(=O)CSCC(=O)c1ccccc1	798304917	NUDMIENRZLSZAV-UHFFFAOYSA-N	323.443	1.284	50	20	DDGD	
Cc1ncncc1C(=O)NNC(=O)Cn1ccc2ccccc21	1318294135	RPOZVMHRLBMYRZ-UHFFFAOYSA-N	309.329	1.201	50	20	DDGD	
Cc1c(C(=O)NNC(=S)NC(C)C)nnn1-c1ccccc1	1317963201	ZMKJMAUHVPATJW-UHFFFAOYSA-N	318.406	1.093	50	20	DDGD	
CN1[C@H]2CC[C@H]1CC(N(C)S(=O)(=O)CBr)C2	394288251	LAIJGXALEHITCV-IUCAKERBSA-N	311.245	1.226	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCCC2)cc1)C(=O)N1CCCC1	1322187005	KGYOTZUJJZSPIK-UHFFFAOYSA-N	314.389	1.359	50	20	DDGD	
Cc1noc(C)c1NC(=O)C(=O)NNc1ccc(Cl)nc1	1321667723	NLJKALZJKMKQKN-UHFFFAOYSA-N	309.713	1.422	50	20	DDGD	
CN(C)[C@H]1CCCC[C@@H]1NC(=O)NNc1ccc(Cl)nn1	1321729781	CJSRBSBDNMWUGT-UWVGGRQHSA-N	312.805	1.629	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNc1cncc(Br)c1	1320540424	POSHMDYRPICJDV-XCBNKYQSSA-N	300.156	1.712	50	20	DDGD	
Cc1ccc(C(=O)NN=C2CC(=O)N3CCCC[C@H]23)cc1O	1333657839	XCYJVYCLBJDEFB-CYBMUJFWSA-N	301.346	1.571	50	20	DDGD	
NC1(CNC(=O)NNc2cc(C(F)(F)F)ccc2F)CC1	1338745293	HRSGRLCMVUERKY-UHFFFAOYSA-N	306.263	1.962	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNc1ccc2c(=O)[nH]ccc2c1	1341065940	XKZWYQUCRXREOK-UHFFFAOYSA-N	311.345	1.635	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)[C@H]1CC12CCOCC2	1349005496	HUEIYOWTLLVJIL-SNVBAGLBSA-N	306.391	1.216	50	20	DDGD	
O=C(NCc1cnn(CC2CCC2)c1)NNc1ncncc1F	1522582484	RPYTYXJKAHTSJA-UHFFFAOYSA-N	319.344	1.439	50	20	DDGD	
O=C(CNC(=O)c1ccccc1)NNc1ccccc1C(=O)O	1601324337	YOPIXIONLNVGMH-UHFFFAOYSA-N	313.313	1.258	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@@H]1CCO[C@H]1C1CC1	1602230395	HAEIWGWWYALANG-RNCFNFMXSA-N	308.309	1.782	50	20	DDGD	
O=C(O)[C@@H]1CCN1S(=O)(=O)c1ccc(CCCl)cc1	1608639726	FQBIKTHLVFRFJD-NSHDSACASA-N	303.767	1.316	50	20	DDGD	
O=C(O)Cn1cccc1C=NNC(=O)c1cccc2ncccc12	1608799367	JZFDHSWLPKGURU-UHFFFAOYSA-N	322.324	1.885	50	20	DDGD	
O=C(O)C(=O)NN=Cc1ccc2c(c1)CCN2Cc1ccccc1	1608531330	YWKHBLFDHRZFDW-UHFFFAOYSA-N	323.352	1.784	50	20	DDGD	
O=C(O)C1(C(=O)NNc2ncncc2Cl)CC2(CCC2)C1	1608566026	DPDRFLPMBLNIDQ-UHFFFAOYSA-N	310.741	1.608	50	20	DDGD	
N#Cc1ccc(NC(=O)NNc2ccc(F)c(C(=O)O)c2)nc1	1601107604	ZGYUEPLBJZIZIK-UHFFFAOYSA-N	315.264	1.939	50	20	DDGD	
C[C@@H](C(=O)N(c1nc(CC(=O)O)cs1)N(C)C)c1ccco1	1603138358	LQFOIZUSCWSXNJ-SECBINFHSA-N	323.374	1.977	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1ccc(C(=O)O)cc1	1610699795	FCVBLVRWIRLKAL-UHFFFAOYSA-N	300.274	1.246	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H](C)CC(=O)O)cc(C#N)n1C	1611122533	QHOCHCSAIMHYBN-JOZRWXFHSA-N	300.318	1.092	50	20	DDGD	
Cc1c[nH]nc1C=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccnn1C	1549314475	IVJXKPHVXOAFHB-RISCZKNCSA-N	316.365	1.070	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@@H]1CN1CCC([C@@H]2OCC[C@H]2C(N)=O)CC1	1550631936	KMMZZHSDSKDYAW-OMRNGCIESA-N	300.830	1.462	50	20	DDGD	
CCc1cc(Br)ccc1NNC(=O)[C@@H]1[C@H]2CNC[C@H]21	1578245659	BPYGAKBCFBAOHN-PJXYFTJBSA-N	324.222	1.920	50	20	DDGD	
C=CC[C@@]1(C(=O)NNC(=O)C(C)(C)c2ccccc2)CCCN1	1574896941	BJZAWRRLJGMKKU-SFHVURJKSA-N	315.417	1.810	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)[C@H](N)c2ccccc2)nc(N)n1	1579636288	ZQPNYJYVCRFUNH-MFKMUULPSA-N	300.366	1.146	50	20	DDGD	
CNNC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O	1578744392	GTCZUFBRBPPKNI-MRVPVSSYSA-N	302.161	1.597	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCNC1)c1ccsc1C(F)F	1580732653	GDOYTMVREOOWFB-ZETCQYMHSA-N	303.334	1.446	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cnc(C)[nH]1)C2	1845163233	MDQNGBIGSGEZHX-NSHDSACASA-N	324.812	1.553	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]2CC[C@@H]1N2)Nc1ccc(Cl)cc1	1580736454	TUUQWIGOSSKJLT-WOPDTQHZSA-N	308.769	1.633	50	20	DDGD	
O=C(NNC(=O)[C@@]1(c2ccccc2)CCNC1)NC1CCCC1	1580733011	LXYLCAVLQHNVOA-KRWDZBQOSA-N	316.405	1.191	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H]2CC2(F)F)C1	1843853921	ZBGIFCXOWYVURD-NXEZZACHSA-N	320.767	1.862	50	20	DDGD	
O=C(O)C1(C(=O)NNc2ccnc(C(F)(F)F)c2)CC=CC1	1594867983	WVCPATSRMMALQL-UHFFFAOYSA-N	315.251	1.965	50	20	DDGD	
COC(=O)[C@H]1CN(C(=O)C2CCC(Cl)CC2)C[C@@H]1C(=O)O	1598806299	GNBFPXMHJVVDLW-TVUZUIDESA-N	317.769	1.116	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](C(=O)O)C(C)(C)C)nc1	1593883320	YHOUHXCVYKQHBW-SNVBAGLBSA-N	309.322	1.058	50	20	DDGD	
O=C(O)CC[C@H]1C[C@@H](C(=O)NNc2ncc(F)cc2F)CO1	1595006914	XCRGUGXPMDLHMX-APPZFPTMSA-N	315.276	1.073	50	20	DDGD	
CN1CCCC[C@@H]1CNC(=O)NNc1cccc(C(=O)O)c1	1598600525	MIWAIWVKYYRIGN-CYBMUJFWSA-N	306.366	1.495	50	20	DDGD	
CCCCC[C@@H](C)NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1590588805	NLUDDEUELKRBPO-SNVBAGLBSA-N	318.385	1.857	50	20	DDGD	
COc1coc(C(=O)NNc2ccccc2C(=O)O)cc1=O	1599727689	OCBNGTLQNQBMTM-UHFFFAOYSA-N	304.258	1.104	50	20	DDGD	
C[C@]1(C(=O)Nc2cccc(CC(=O)O)n2)C[C@H]1Br	1593761378	IMPXDWLUGHKFLF-PELKAZGASA-N	313.151	1.821	50	20	DDGD	
CN1CCC(=NNC(=O)Nc2ccc(C(=O)O)cc2)C1(C)C	1776045660	CNZMIHNMKRPAOQ-UHFFFAOYSA-N	304.350	1.976	50	20	DDGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C(=O)O)nn2C)c1	1776119404	AGRGHJVYUOIXGU-YRNVUSSQSA-N	310.313	1.972	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)C(C)C)CCO2)C1	1781214091	PNMZBEDRCXGNRU-WFASDCNBSA-N	316.829	1.490	50	20	DDGD	
CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Br)C2	1795489005	FICMVVWPLDQJAM-DKIAZLNASA-N	321.190	1.725	50	20	DDGD	
COc1ccccc1CCC(=O)NNC(=S)NC(C)(C)C	14895149	RMVKGMRHVKWERB-UHFFFAOYSA-N	309.435	1.922	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)c2ccc(C#N)cc2)cc1	15624129	LEDBMSXZCVMYNM-UHFFFAOYSA-N	309.325	1.571	50	20	DDGD	
CCc1nccn1CC(=O)NNC(=O)c1ccc(Cl)cc1	158708628	LNWSVPOXIRGOIG-UHFFFAOYSA-N	306.753	1.560	50	20	DDGD	
CCN(C)[C@@H](C(=O)NNC(=O)c1cc(C)n[nH]1)c1ccccc1	151155975	JZAXQQWEVQAVEC-CQSZACIVSA-N	315.377	1.172	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CO[C@H](C)CC)c1	152727578	KSZZXZPTKXFCIV-LLVKDONJSA-N	305.403	1.801	50	20	DDGD	
C[C@H](NC(=O)c1ccoc1)C(=O)NNc1ccncc1Cl	154469442	LHAYACXNXXALPW-QMMMGPOBSA-N	308.725	1.590	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cccc(F)n2)cc1	159037919	UMGYPCABWLMDED-UHFFFAOYSA-N	303.293	1.369	50	20	DDGD	
O=S(=O)(CBr)NCCSC(F)(F)F	227978384	SHQGOOAAEVAPJX-UHFFFAOYSA-N	302.137	1.511	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)c1ccc(Cl)nc1	8350532	HHEFGHYFPRHKNQ-UHFFFAOYSA-N	323.711	1.714	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)NNc1ccccn1	104819654	HIWSLXRTESOLMW-UHFFFAOYSA-N	324.344	1.394	50	20	DDGD	
CC(=O)N(CCC(=O)NNc1cnccn1)Cc1ccccc1	114881705	DCNFNNPNWFGRFM-UHFFFAOYSA-N	313.361	1.359	50	20	DDGD	
NC(=O)[C@@H](NNC(=O)c1cccc2ncccc12)c1ccccc1	106898364	REAMNHXUZKDAOG-INIZCTEOSA-N	320.352	1.696	50	20	DDGD	
O=C(NCC(=O)N1CCc2ccccc21)NNc1ccccn1	101945608	CXZQQVOFDNZNRW-UHFFFAOYSA-N	311.345	1.297	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2[nH]c1=O)NC1CCCC1	65919970	FKBSFTGMFQPBRA-UHFFFAOYSA-N	314.345	1.415	50	20	DDGD	
CO[C@@H]1CCCN(C(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)C1	171118116	QDVXXDYCEPBHPR-ACQAZONXSA-N	312.373	1.750	50	20	DDGD	
O=C(CCCOc1ccccc1)NNC(=O)NCC(F)(F)F	60415255	MHQXZIMTVIZLIG-UHFFFAOYSA-N	319.283	1.738	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=S)N[C@H](C)C2CC2)cc1	171168405	NQKQPOLNZOYUFA-SNVBAGLBSA-N	307.419	1.993	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1CCN(c2ccc(C)cc2)C1=O	178968995	AETHDWJAUISZID-HFBDAHEESA-N	313.357	1.661	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCCc2cccc(Cl)c2)cn1	117955877	CZRITQZVGBCPMX-UHFFFAOYSA-N	321.768	1.260	50	20	DDGD	
Cc1ccc(O[C@@H](C)C(=O)NNc2nnc(C)c(O)n2)cc1	23309590	NOQDWVWJUVUCJH-JTQLQIEISA-N	303.322	1.105	50	20	DDGD	
CCC(=O)N1CCC[C@@H](C(=O)NNc2cccc([N+](=O)[O-])c2)C1	178857559	XYTUHAYYKAKGIE-LLVKDONJSA-N	320.349	1.687	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)C(C)(C)C)NC(=O)c1ccccc1	80085844	CZUARIFEIIXGRE-NSHDSACASA-N	305.378	1.389	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)no1	68731624	BUVQUDVGKUFLFZ-GFCCVEGCSA-N	317.345	1.828	50	20	DDGD	
CCCCCNC(=O)NNC(=O)COc1ccccc1C#N	43629684	KFDRVNAEBDTVQY-UHFFFAOYSA-N	304.350	1.458	50	20	DDGD	
COCc1nc(C(=O)NNC(=O)c2ccc(C)cc2O)cs1	65216340	BCFOKNRVCPSSOP-UHFFFAOYSA-N	321.358	1.378	50	20	DDGD	
COC(=O)[C@H](O)C1CCN(/C(=C/C#N)c2ccc(F)cc2)CC1	305236273	NTOVSCYDOGMXPR-KNDGBBJPSA-N	318.348	1.936	50	20	DDGD	
CC(C)(C)c1ccc(NC(=O)C(=O)NNc2ncccn2)cc1	120048584	SNZHVJCEFZVKJY-UHFFFAOYSA-N	313.361	1.856	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1ccccc1SCC(N)=O	211129209	OVWRQJYJBVKADB-NTMALXAHSA-N	305.359	1.646	50	20	DDGD	
COc1ccc(NNC(=O)Nc2cnc(C3CC3)nc2)nc1	121972086	RUXUCAZIFTTYHK-UHFFFAOYSA-N	300.322	1.906	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)NC(=O)NNc1ccccc1Cl	72682248	WVVSNGQASUPBDJ-QMMMGPOBSA-N	305.787	1.399	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc(NC(C)=O)cc1	213362528	JUEISTAMZZITOV-UVTDQMKNSA-N	301.346	1.705	50	20	DDGD	
O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)N2CCCC2)C1	181241512	JRIRAMFSIFNASB-ZDUSSCGKSA-N	317.393	1.453	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)CCc2ccccc2)cn1	180979232	FTXIXHWHLSSKIJ-UHFFFAOYSA-N	300.362	1.687	50	20	DDGD	
CN(NC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1)C(N)=O	188974193	QIACGADXCHOQCM-UHFFFAOYSA-N	319.258	1.918	50	20	DDGD	
O=C(NNc1cnccn1)C(=O)N1CCCc2ccc(F)cc21	122312108	RZLDYEJLYGMNAS-UHFFFAOYSA-N	315.308	1.038	50	20	DDGD	
Cc1ccc2cc(C(=O)NNC(=O)Cc3cc[nH]n3)ccc2n1	186109171	KWHXACPCLFXXPF-UHFFFAOYSA-N	309.329	1.270	50	20	DDGD	
C=C[C@](C)(CC)C(=O)NNC(=O)COc1ccc(C#N)cc1	134907040	FFWKUEKTPSXKGR-MRXNPFEDSA-N	301.346	1.687	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncnc2ccsc12)c1cnn(C)c1	130901705	DGBPXNZKARSQOM-MRVPVSSYSA-N	317.378	1.812	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc(Br)cc1F	49477197	VJVSJYHELFVINO-UHFFFAOYSA-N	318.146	1.941	50	20	DDGD	
COc1nccnc1NNC(=O)c1c(F)cc(C#N)cc1F	132147986	LWXQGYCCNIGPND-UHFFFAOYSA-N	305.244	1.392	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)OC(C)(C)C)CN1CCCC1	80049256	POSBNRYXZXXKMR-NSHDSACASA-N	300.403	1.457	50	20	DDGD	
NC(=O)[C@H]1CC[C@H](C(=O)NNc2cccc3c2CCCC3)O1	193639478	WYWABMVUZHKIDD-ZIAGYGMSSA-N	303.362	1.041	50	20	DDGD	
O=C(NCCc1cccnc1)NNC(=O)c1cccc(Cl)c1	193157411	NTDWPVFIYYZUAJ-UHFFFAOYSA-N	318.764	1.922	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NN=c1sc2ccccc2n1C	254971242	NDJDSVWDBXBFBX-NSHDSACASA-N	323.418	1.613	50	20	DDGD	
CC(C)N1CC[C@@H](NC(=O)NNc2c(F)cccc2F)C1=O	265405705	AYBKLNGBKKFPSX-LLVKDONJSA-N	312.320	1.600	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)C2CCSCC2)c1	264805476	AYQBFXGRKRIYFK-UHFFFAOYSA-N	307.419	1.657	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCC(=O)OC(C)(C)C	266624060	RODUOQPFXMJGJF-UHFFFAOYSA-N	321.377	1.671	50	20	DDGD	
CN(NC(=O)NCc1nnc2n1CCCC2)c1ccccc1	264134978	NIIMOBIINBQQDH-UHFFFAOYSA-N	300.366	1.465	50	20	DDGD	
Cc1c(NNC(=O)CCNC(=O)CC(C)C)cccc1[N+](=O)[O-]	269620095	SBDUHYXRJBNNIJ-UHFFFAOYSA-N	322.365	1.899	50	20	DDGD	
O=C(Cc1ccccc1C(F)(F)F)NNC(=O)NC1CC1	264103956	AWQAJUFXYOKQKM-UHFFFAOYSA-N	301.268	1.741	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@@H]2CCCSC2)c1	267259165	CMZVDWKSFXFSFH-GFCCVEGCSA-N	323.418	1.600	50	20	DDGD	
COc1cccc(O[C@H](C)CNC(=O)NNc2ncccn2)c1	266777912	JXBJNTJOKBAVLG-LLVKDONJSA-N	317.349	1.579	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2)n1	269074003	WAEUQBRUZZAPGW-UTUOFQBUSA-N	305.382	1.157	50	20	DDGD	
C[C@]1(CCCO)CCCN1CC(=O)NNC(=O)c1ccccc1	272221125	GANQZPKACULFAN-QGZVFWFLSA-N	319.405	1.075	50	20	DDGD	
CC1(NS(=O)(=O)CBr)Cc2ccccc2C1	272781214	HPUONBVVFDVAQI-UHFFFAOYSA-N	304.209	1.816	50	20	DDGD	
C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CC=C(C#N)CC1	272592126	GBISRJBSNDQRBC-GXTWGEPZSA-N	304.394	1.547	50	20	DDGD	
O=C(CCOCC(F)F)NNC(=O)COc1ccc(F)cc1	276698374	ONDCPCCKRUDNCQ-UHFFFAOYSA-N	320.267	1.024	50	20	DDGD	
C[S@@](=O)c1cccc(NC(=O)NNC(=O)OC(C)(C)C)c1	272525572	DTBKELNXHZDFLM-OAQYLSRUSA-N	313.379	1.985	50	20	DDGD	
CCOC(=O)C[C@@H](C)CNC(=O)NNc1cccc(OC)n1	272596415	SVDVSZNVJSUDCH-SNVBAGLBSA-N	310.354	1.306	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)C(=O)NNC(=O)NCc1ccco1	273081119	BBTSVGZXCHHZEX-QMMMGPOBSA-N	305.338	1.254	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc(O[C@H]2CCOC2)cc1	279013155	OUTRNXKTKLZJMW-AWEZNQCLSA-N	306.362	1.661	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CCCS(C)(=O)=O	288578595	GMNRYACUYBYFIB-UHFFFAOYSA-N	315.351	1.171	50	20	DDGD	
CC[C@@H](C)CCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	284955688	DMZXZEMUVZBUIR-RISCZKNCSA-N	306.362	1.800	50	20	DDGD	
CN(NC(=O)CC[C@H](O)c1ccc(C(C)(C)C)cc1)C(N)=O	281339393	UQYCWOMQTDWCMG-ZDUSSCGKSA-N	307.394	1.839	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)Nc1cc(F)cc(F)c1	283680794	HJUAZEIGEFPWFS-JOAULVNJSA-N	313.304	1.931	50	20	DDGD	
CCn1nc(C)c(NC(=O)C(=O)NNc2cccc(F)n2)c1C	807391624	AUJXVYAYMNCGNT-UHFFFAOYSA-N	320.328	1.136	50	20	DDGD	
CCCN(NC(=O)c1c[nH]c(C(N)=O)c1)C(=O)OC(C)(C)C	804594034	KJTFBGFYNIIKCY-UHFFFAOYSA-N	310.354	1.406	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCC(C)(F)F	296574684	HPCNCLKHEYFKLT-UHFFFAOYSA-N	301.293	1.685	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)COCC(F)(F)F)c1	293874605	IAEMADOSLRQWJQ-UHFFFAOYSA-N	305.256	1.667	50	20	DDGD	
C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(C/C=C/C#N)C1=O	298276655	LSYXFFMFPHLKPS-WOMSROEHSA-N	313.313	1.305	50	20	DDGD	
CCCN1CCC[C@H]1CNC(=O)NNC(=O)c1ccccc1F	807548345	UKZRHQNCEPCNGB-LBPRGKRZSA-N	322.384	1.644	50	20	DDGD	
CC(C)C[C@H](C(=O)NNc1ccncn1)N1CCCCC1=O	295532245	RJXMGBFDFYNHII-GFCCVEGCSA-N	305.382	1.347	50	20	DDGD	
Cc1c(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)cnn1C	807951351	QWIIJOSBDKLNIL-UHFFFAOYSA-N	316.365	1.579	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1C	805380143	DSWINIHZUKSUJX-CQSZACIVSA-N	320.349	1.747	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)c1cccc2ncccc12	294778131	ZQAIMRWXLPGMIP-CQSZACIVSA-N	301.346	1.811	50	20	DDGD	
C=CCC(C)(C)C(=O)NNC(=O)[C@H]1COc2ccccc2O1	292242640	OHIYMWZLNOONFN-CYBMUJFWSA-N	304.346	1.576	50	20	DDGD	
O=C(NNC(=O)c1cccc2c1OCCO2)NC1CCCCC1	299308926	UURTUUDEHWFZQL-UHFFFAOYSA-N	319.361	1.735	50	20	DDGD	
Cc1cn(-c2ccc(F)cc2)nc1C(=O)NNc1ncccn1	801117152	AOXVKZPFBJFANX-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@](C)(OC)C1CC1	292739770	VAOWUHDJPVQPDL-MRXNPFEDSA-N	321.377	1.070	50	20	DDGD	
COC(=O)N(C)NC(=O)Cc1c(C)nc2c(c(C)nn2C)c1C	804124971	RSSZLIJXTFWCRE-UHFFFAOYSA-N	319.365	1.165	50	20	DDGD	
CN(C)C1(CNC(=O)NNc2ncc(F)cc2F)CCCC1	297861275	PWZMXCNEVMFAHF-UHFFFAOYSA-N	313.352	1.860	50	20	DDGD	
C[C@@H]1CCCN(CCNC(=O)NNc2ncc(F)cc2F)C1	297572597	ONDZMTZOOOKFCI-SNVBAGLBSA-N	313.352	1.718	50	20	DDGD	
NC(=O)NNc1nc(-c2cccc(N3CCCC3=O)c2)cs1	800722022	ZCFYSWJMYATHOF-UHFFFAOYSA-N	317.374	1.932	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)[C@H]1CC1(F)F	295347087	NVGFBGVJAOBZNN-MRVPVSSYSA-N	319.333	1.035	50	20	DDGD	
COc1cccc(NNC(=O)c2n[nH]c3c(OC)cccc23)n1	809757275	YAKPRIURFDNIIS-UHFFFAOYSA-N	313.317	1.732	50	20	DDGD	
COc1ncccc1CCNC(=O)NNc1ncccc1C	290827081	BEIBIRYKRLAWHR-UHFFFAOYSA-N	301.350	1.662	50	20	DDGD	
Cc1ccc(C(=O)N[C@@H](C(=O)NN(C)C2CC2)C(C)C)cc1	819640674	DTUAJVZKOLSENZ-OAHLLOKOSA-N	303.406	1.875	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)NOC/C=C/Cl	811983644	CBTGEZOWROKAFT-GORDUTHDSA-N	315.782	1.865	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2cnsn2)cc1C	812721143	KUFBEGRAEJYGGB-UHFFFAOYSA-N	306.347	1.780	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CC[C@@H](C(=O)O)C[C@H]1C	814865186	OJOYBVYGHACWBC-GMTAPVOTSA-N	300.355	1.031	50	20	DDGD	
Cc1nc(C(=O)NNc2ncncc2F)nn1-c1ccccc1	817078170	UINZCVKRMMUOBF-UHFFFAOYSA-N	313.296	1.262	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cnc(Oc2ccccc2)cn1	819123372	XINSBUZOGZUBTJ-UHFFFAOYSA-N	312.329	1.830	50	20	DDGD	
O=C(COc1ccccc1O)NN=C1CCC12CCOCC2	814953813	UTEWLHFTUKJDAW-UHFFFAOYSA-N	304.346	1.834	50	20	DDGD	
O=C(NCC(F)(F)F)NN=C1COc2cc(F)cc(F)c21	814812376	SQWKOTPZCVVRGG-UHFFFAOYSA-N	309.194	1.923	50	20	DDGD	
O=C(COc1cccnc1)NNC(=O)Cn1ccc2ccccc21	729541054	BDFHCLUOPFUEFQ-UHFFFAOYSA-N	324.340	1.263	50	20	DDGD	
CCNC(=O)NN=C(C)CCc1ccc(OCC(=O)O)cc1	814817389	KBEMDHWRXGGFMS-UHFFFAOYSA-N	307.350	1.778	50	20	DDGD	
COc1ccccc1N1CC[C@@H](CNS(=O)(=O)CCl)C1	820789960	UCPFAUGKGOCYHR-NSHDSACASA-N	318.826	1.637	50	20	DDGD	
CC(C)CCOc1ccc(NC(=O)NNc2ncccn2)nn1	825519376	DKLAQIKIKJIAQQ-UHFFFAOYSA-N	317.353	1.840	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)CCCc2ccccc2)CO1	825886058	SXJVPUWEVCRULI-JSGCOSHPSA-N	305.378	1.517	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(F)c(Br)c1	823952985	WFQSOUPPMVYWHD-SSDOTTSWSA-N	305.147	1.546	50	20	DDGD	
CC(C)[C@@H](O)C(C)(C)CNC(=O)/C(C#N)=C/c1cnn(C)c1	491109281	ZMOBMPGHMDGRFY-YGLIYXGISA-N	304.394	1.486	50	20	DDGD	
CCc1nc2ccc(Cl)cn2c1C(=O)NN(C)[C@@H](C)CO	823921790	BODQWJLENQNCGO-VIFPVBQESA-N	310.785	1.508	50	20	DDGD	
Cc1cnc(C2CCN(CC(=O)NNC(=O)C(C)C)CC2)s1	829243859	MNOMKYHPZPBEGS-UHFFFAOYSA-N	324.450	1.434	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)Cn2ccnc2C(C)C)c1	824862223	BLXOMCJALQHIOK-UHFFFAOYSA-N	306.391	1.838	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cccnc1Nc1ccccc1F	823976706	HNVWMBOLJJBBKX-NSHDSACASA-N	318.352	1.922	50	20	DDGD	
COC(=O)NNC(=O)CSc1nccn1-c1ccccc1C	490597462	CDYIZYGIRPLYAT-UHFFFAOYSA-N	320.374	1.660	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cnccn1)c1cccs1	726453477	HBCOFTFLGQXDCS-QMMMGPOBSA-N	307.404	1.408	50	20	DDGD	
N#C/C(=C/c1ccc(N2CCOCC2)c(F)c1)C(=O)NC1CC1	727264531	VQXLCQZCWNUVFN-LCYFTJDESA-N	315.348	1.848	50	20	DDGD	
CCN(CCO)NC(=O)c1cccc(Oc2ccccn2)c1	823902448	RCBKKKABXAJLIZ-UHFFFAOYSA-N	301.346	1.833	50	20	DDGD	
CSCC1(CCNC(=O)NNC(=O)c2ccccc2O)CC1	820998805	HCSWARWGRYEPGR-UHFFFAOYSA-N	323.418	1.870	50	20	DDGD	
COc1ncc(/C=C/C(=O)NNC(=O)NC2CCCCC2)cn1	492649694	PRVXWIFUNYCAMQ-BQYQJAHWSA-N	319.365	1.162	50	20	DDGD	
CCC(=O)NNS(=O)(=O)C1=Cc2ccc(OC)cc2CC1	829622297	LVCNTFXVRCMHMX-UHFFFAOYSA-N	310.375	1.343	50	20	DDGD	
O=C(/C=C\c1ccc(O)cc1)NNc1ccc(-n2ccnc2)nn1	493266820	TWBGIRSGQMGPPB-BAQGIRSFSA-N	322.328	1.524	50	20	DDGD	
CCc1onc(C)c1C=NNC(=O)COc1ccccc1O	901248147	RYPSXBHBOUAQBO-UHFFFAOYSA-N	303.318	1.780	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1CSC(c2ccccc2)=N1	907253123	PZNSKMJJQUMIFM-NSHDSACASA-N	306.391	1.241	50	20	DDGD	
CC(C)[C@H](NCc1ccc(B(O)O)cc1)c1nc2ccccc2[nH]1	585032383	GWQUIUAZQFSJFH-KRWDZBQOSA-N	323.205	1.730	50	20	DDGD	
CN(CCCNC(=O)/C(C#N)=C/c1cnn(C)c1)c1ccccc1	491049776	NWZNPLVLLRJBTC-LFIBNONCSA-N	323.400	1.970	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@H](n2ccnc2)C1	732200701	JTIDMFZPJIRLFV-KBPBESRZSA-N	321.425	1.102	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@@H]2[C@H](CCN2C)C1	827317880	CSWWXQFVIPVCSH-ZIAGYGMSSA-N	324.856	1.905	50	20	DDGD	
CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)/C(C#N)=C\c4cnn(C)c4)[C@H]1[C@H]3C2	490969750	FOLKYHKGGJHRDZ-AKVDOPIGSA-N	312.373	1.209	50	20	DDGD	
Cc1cccc(NCCNC(=O)/C(C#N)=C/c2cnn(C)c2)n1	491049885	OCXFNXFNSAYSDJ-RIYZIHGNSA-N	310.361	1.259	50	20	DDGD	
O=C(CCc1ccc(C(=O)O)cc1)NNC(=O)c1cccnc1	739256322	TVIDSTNUUKYDQU-UHFFFAOYSA-N	313.313	1.174	50	20	DDGD	
CCO/C=C\[C@](O)(CNC(=O)/C(C#N)=C/OCC)C(F)(F)F	491015230	ZYKXBYCQYZDKHG-UOLHHADBSA-N	322.283	1.390	50	20	DDGD	
C[C@]1(C(=O)NNc2ncncc2Cl)C[C@H]1Br	907603855	MXJAEBCZEPODAZ-MUWHJKNJSA-N	305.563	1.747	50	20	DDGD	
O=C(c1cccn1Cc1cccs1)N1CC[C@@H](B(O)O)C1	585072283	LCLDEMSXFAOPLP-LLVKDONJSA-N	304.180	1.287	50	20	DDGD	
CC(C)[C@@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)CC1	584947294	KWFVLISFXZVBSK-GFCCVEGCSA-N	307.174	1.404	50	20	DDGD	
Cc1nnc(NNC(=O)C2(c3cccc(F)c3)CC2)nc1O	734543826	VRJHFSLIOOUBLZ-UHFFFAOYSA-N	303.297	1.200	50	20	DDGD	
O=C(NNc1cccc(Br)n1)[C@@H]1C[C@@]12CCOC2	837211918	MGBRAKXLFGKBGM-QPUJVOFHSA-N	312.167	1.714	50	20	DDGD	
O=C(CCCC(=O)c1ccccc1)NNC(=O)[C@@H]1CCCCO1	908516343	AUCHIKFKAQSNLX-HNNXBMFYSA-N	318.373	1.756	50	20	DDGD	
CC[C@@H](O)[C@H](C)C(=O)NNC(=O)Cc1cccc2ccccc12	900049474	NPUAAJPAPINWKM-BLLLJJGKSA-N	314.385	1.937	50	20	DDGD	
Cc1nc(C)c([C@H](C)NC(=O)c2cc(B(O)O)ccc2F)s1	584934425	UAGSLKDEDVRHOJ-QMMMGPOBSA-N	322.170	1.070	50	20	DDGD	
N#Cc1ccc([C@H](NNC(=O)c2ccccc2F)C(N)=O)cc1	734506722	FUFWHCIAMHJYLD-AWEZNQCLSA-N	312.304	1.158	50	20	DDGD	
CO[C@@H]1CCOc2c(NCc3ccc(B(O)O)o3)cccc21	585038662	JLIPNOLZBFJUHS-CYBMUJFWSA-N	303.123	1.042	50	20	DDGD	
COC[C@@H](NCc1ccc(B(O)O)cc1)c1cccc(Cl)c1	585041126	NCYYUNQHWUFZSV-MRXNPFEDSA-N	319.597	1.497	50	20	DDGD	
CCOCCONC(=O)NNc1cc(C(F)(F)F)ccn1	836404711	NCBDUDHQYQUPBT-UHFFFAOYSA-N	308.260	1.695	50	20	DDGD	
O=C(NCC(Cl)Cl)c1ccc(N2CCOCC2)nc1	837652282	ZWNOIQYAMPJJBK-UHFFFAOYSA-N	304.177	1.452	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCC[C@@H]2C[C@H]3CC[C@H]2O3)n1	838752463	HUAWKRJNNZSTAR-JHJVBQTASA-N	305.382	1.677	50	20	DDGD	
COCCOc1cc(C)ccc1NCc1ccc(B(O)O)cc1	585013294	XUUJLZWDHFWZAF-UHFFFAOYSA-N	315.178	1.312	50	20	DDGD	
CN(NC(=O)CNc1ccc(C#N)cc1)C(=O)OC(C)(C)C	838366392	CDICMLDFNNRYME-UHFFFAOYSA-N	304.350	1.868	50	20	DDGD	
O=C(NCc1ccc(Cl)s1)NNC(=O)[C@@H]1CCCCO1	836207381	SHQNIBASYPIAEK-VIFPVBQESA-N	317.798	1.801	50	20	DDGD	
O=C(NNc1ncccn1)c1cc(F)ccc1N1CCOCC1	730770526	IAFYKTBNUMFFSA-UHFFFAOYSA-N	317.324	1.209	50	20	DDGD	
O=C(NCCCc1ccccc1)NNC(=O)[C@H]1CCCCO1	836187270	XMUMOJNCOCZIIH-CQSZACIVSA-N	305.378	1.519	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C(=O)C(C)(C)C)c1	733911645	ZPIZKJPPDKFQER-UHFFFAOYSA-N	308.334	1.080	50	20	DDGD	
CCC1(CC)[C@@H](OC)C[C@H]1N(C)C(=O)c1cccc(B(O)O)c1	584962977	NRZPHVBTLCDOSC-CABCVRRESA-N	319.210	1.032	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)C1=NO[C@@H](c2ccccc2)C1	833255567	GHOQYMGKLGBQMI-ZIAGYGMSSA-N	317.345	1.221	50	20	DDGD	
Cc1cccc(C)c1[C@H]1CCCN1C(=O)c1ccc(B(O)O)cc1	585009490	YUEFVRLAOKKKRZ-QGZVFWFLSA-N	323.201	1.961	50	20	DDGD	
COCCC1(CNCc2ccccc2B(O)O)CCCCC1	585036097	DPSYHZXYLJULQK-UHFFFAOYSA-N	305.227	1.443	50	20	DDGD	
CN(C)c1cc(C(=O)NN=C2CCCc3c2cnn3C)ccn1	731561873	BEFKRIWPXFILDC-UHFFFAOYSA-N	312.377	1.352	50	20	DDGD	
COCCOc1ccc(F)cc1NCc1ccccc1B(O)O	585013198	ORQLRTBNNHZARW-UHFFFAOYSA-N	319.141	1.143	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2c(C)n[nH]c2C)cc1	915942588	WGIHYNHOZPCUOU-UHFFFAOYSA-N	302.334	1.564	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc2ccncc2s1	838170775	JHKIZBGPKJWLJE-QMMMGPOBSA-N	321.358	1.399	50	20	DDGD	
O=C(NCCOC[C@@H]1CCOC1)NNc1ncc(F)cc1F	838415529	DRPRNCXLTONRRJ-SECBINFHSA-N	316.308	1.039	50	20	DDGD	
C[S@](=O)CCNS(=O)(=O)c1ccc(CCCCl)cc1	735079917	HXBFZSINTPSGTP-SFHVURJKSA-N	323.867	1.515	50	20	DDGD	
CCCN1C[C@H](C(=O)NNc2oc(C(C)C)nc2C#N)CC1=O	839603512	DILJARKVTZOIDL-SNVBAGLBSA-N	319.365	1.371	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)c1ccn(C)n1	838772247	CZRUPZPDZHBVPD-JTQLQIEISA-N	319.340	1.193	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)c2cc3ccccc3o2)COC1	836339113	DNRQYDKNMVWFAW-UHFFFAOYSA-N	317.345	1.803	50	20	DDGD	
COCCOc1ccccc1C(=O)NNC(=O)c1cccn1C	919683634	DPMJEMOFXBIWPL-UHFFFAOYSA-N	317.345	1.125	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)C1)c1ccc(Cl)cc1Cl	912800535	ACKKZTNJGOKFRJ-UHFFFAOYSA-N	321.185	1.898	50	20	DDGD	
O=C(Cn1nnc(-c2ccccc2)n1)NN=C[C@@H]1CC=CCC1	915906920	IITOEXKEGHIKNL-CYBMUJFWSA-N	310.361	1.798	50	20	DDGD	
C[C@@H]1CN(CCNC(=O)NNc2cc(F)ccc2F)CCO1	915826969	GHTNBEMCCYANDJ-SNVBAGLBSA-N	314.336	1.312	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(C)nc1C1CC1	836480574	FCKAVNYENLBCPI-UHFFFAOYSA-N	306.366	1.248	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cnc(Cc2ccc(F)cc2)s1	910166089	SBAKVIPOJCBMKH-SNVBAGLBSA-N	323.393	1.830	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CCc2cccnc2)c1O	919755586	FVIBACRJCMXNJT-UHFFFAOYSA-N	315.329	1.190	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1)[C@@H]1CCOC1	741757325	QGELSDOHKKCXOL-GUIRCDHDSA-N	311.426	1.260	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@H]1CCN(CC(F)(F)F)C1	916577983	OWAMDINSCPCDKD-SNVBAGLBSA-N	324.347	1.247	50	20	DDGD	
O=C(Cn1nnc2c1CCCC2)NNc1cccc(F)c1F	847601343	PSMMMHDAMOPVIF-UHFFFAOYSA-N	307.304	1.578	50	20	DDGD	
Cc1nnc(-c2cccc(C(=O)NNC(=O)NCC3CC3)c2)o1	746167752	YEPFBDWGTGKMQB-UHFFFAOYSA-N	315.333	1.399	50	20	DDGD	
Cn1ccc(CNC(=O)NNC(=O)c2cccc(Cl)c2)c1	747955274	OWRTWHXXOSJDIJ-UHFFFAOYSA-N	306.753	1.823	50	20	DDGD	
COc1ccccc1C(C)(C)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843646197	IKUZPPSGQZKKQI-NWDGAFQWSA-N	320.389	1.545	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)COc2ccc(C#N)cc2)cc1	916300270	WOLAKODPPQVJAR-UHFFFAOYSA-N	304.309	1.959	50	20	DDGD	
COCCn1cc(C(=O)NNc2cc(C)ccc2C)ccc1=O	748418122	OQHKGYZBKJNIEA-UHFFFAOYSA-N	315.373	1.868	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)OCCN2CCCC2=O)c1	918976940	PNOVRKUXRSTMDW-UVTDQMKNSA-N	314.341	1.768	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1cc(F)c(F)cc1F	843651614	DXNLOHINGPFGHD-CBAPKCEASA-N	316.279	1.219	50	20	DDGD	
Cn1ccnc(NNC(=O)c2cc3c(F)cccc3s2)c1=O	747942030	RXPBSPHAVYZMPK-UHFFFAOYSA-N	318.333	1.891	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(OC)c(F)c2)n1	746625312	KQYQBHXAZZHTDX-UHFFFAOYSA-N	306.297	1.698	50	20	DDGD	
COC(=O)N(C)NC(=O)Cc1ccc2c(c1)OC(F)(F)O2	846123278	WAOGAGMAENAKEM-UHFFFAOYSA-N	302.233	1.280	50	20	DDGD	
CCn1ccc(CC(=O)NNc2ccc(C(F)(F)F)nn2)n1	845881692	MIPHVVZBURROHT-UHFFFAOYSA-N	314.271	1.398	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc2nc(C(F)(F)F)cn2c1	910161563	WDKSOOROYMRYOY-QMMMGPOBSA-N	316.283	1.311	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1ccc(OC)c(OC)c1	748259043	SGHPRSBEHLFVJD-LBPRGKRZSA-N	324.377	1.596	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc2ccccc2nc1O	843972104	FTXDKFTYEWVGOO-GXSJLCMTSA-N	315.329	1.126	50	20	DDGD	
CCc1nc(C=NNC(=O)[C@H]2CCO[C@@H]2C)c2ccccn12	842561185	JGOJFZSXJNPRTF-NEPJUHHUSA-N	300.362	1.772	50	20	DDGD	
COC(=O)C1(NS(=O)(=O)c2ccc(CCl)cc2)CCC1	914274158	AUNSZGKFQANHQK-UHFFFAOYSA-N	317.794	1.799	50	20	DDGD	
Cc1cc(C=NNC(=O)Cc2ccncc2)ccc1-n1cncn1	747643642	LZXXYBGTAOKOBJ-UHFFFAOYSA-N	320.356	1.664	50	20	DDGD	
NCC[C@@H](NC(=O)NNc1ccccc1[N+](=O)[O-])C(F)(F)F	841331737	AEIOUOUWSQDSHM-SECBINFHSA-N	321.259	1.501	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)CCC=C2	843660524	WZGVJWFFGOVJRN-NHYWBVRUSA-N	300.358	1.832	50	20	DDGD	
O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)NNc1cc(F)ccc1F	921870479	NLUXYLSNLWJXFR-VIFPVBQESA-N	324.331	1.602	50	20	DDGD	
CO[C@@H](CC(=O)NNC(=O)c1ccccc1O)C(F)(F)F	846627741	HSVBCUUUWMYTNV-VIFPVBQESA-N	306.240	1.121	50	20	DDGD	
COC(=O)N1CC(NC(=O)NNc2ccc(F)cc2Cl)C1	921549090	NMCMUVHMMGKKBO-UHFFFAOYSA-N	316.720	1.556	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@H]2CCC(=O)N2C)c(F)c1	854899200	KRHRSKCRZGMRJD-SNVBAGLBSA-N	323.324	1.066	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2nn(C)cc2C)ccc1C	857264163	PISAKPKXDJIPEG-UHFFFAOYSA-N	302.334	1.580	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1ncoc1-c1ccon1	857090405	RJNVGDCEAWFLGX-UHFFFAOYSA-N	304.306	1.671	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)OCC(F)(F)F)c(O)c1O	856021709	LANWFUMIQKHERP-UHFFFAOYSA-N	308.212	1.340	50	20	DDGD	
CCN(CC)C[C@@H](C)NC(=O)NNC(=O)Cc1ccc(F)cc1	921119504	CAAYCRZYWTVLQX-GFCCVEGCSA-N	324.400	1.429	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2F)CN1C1CC1	753925768	FPNWDNROECKRDE-GHMZBOCLSA-N	320.368	1.395	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1cnn(C[C@H]2CCCO2)c1	756739516	OOPVTJLOHILOMS-CYBMUJFWSA-N	321.381	1.405	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCCO2)N[C@@H]1C=CCC1	852511118	HQCCNWRUCLWQMP-LLVKDONJSA-N	303.318	1.120	50	20	DDGD	
CC(C)(C)[C@H](NC(N)=O)C(=O)NC[C@@]1(C)C[C@H]1Br	857387905	OEWZKQRFULJIQA-DNSOKLHBSA-N	320.231	1.359	50	20	DDGD	
CC(C)(O)[C@@H](Oc1ccccc1)C(=O)NNc1ncncc1F	854608956	ILAOORWPLUKQDZ-LBPRGKRZSA-N	320.324	1.277	50	20	DDGD	
Cc1ccc2c(CC(=O)NNC(=O)Cc3cc[nH]n3)coc2c1	755279630	PNLUHYMWYPEHKT-UHFFFAOYSA-N	312.329	1.397	50	20	DDGD	
COC(=O)[C@H]1C[C@H](NC(=O)NC[C@@]2(C)C[C@H]2Br)C1	856923961	YLDJKHDXTVTLAP-MFYTUXHUSA-N	319.199	1.411	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCc2ccc(C#N)cc2)n1	852449526	VFMCIYGGTNXTNR-UHFFFAOYSA-N	310.361	1.834	50	20	DDGD	
CCC(C)(C)OCc1ccccc1NC(=O)NNC(=O)CO	758284808	JHDJYBIQGUQWEL-UHFFFAOYSA-N	309.366	1.537	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccnn1CC(F)F	855090515	XYLFAXHVVCJRNB-UHFFFAOYSA-N	317.365	1.057	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](C)CCC(C)(C)C	755406736	XVHMBOITHHYOAA-NSHDSACASA-N	313.442	1.901	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCCNc1ccccn1	866955329	SZMVZETYCVGJLW-UHFFFAOYSA-N	305.831	1.678	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(CC)C[C@@H](O)c1ccc(C)cc1	764282183	DDRDFDNPDHKWJF-DZGCQCFKSA-N	321.421	1.296	50	20	DDGD	
Cc1ccc(C=NNC(=O)CNC(=O)c2cccnc2)cc1C	763196309	SXQFLNXRVYXDTH-UHFFFAOYSA-N	310.357	1.579	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1cccc(F)n1	764219649	QEUXTHFPIJDMLI-UHFFFAOYSA-N	309.322	1.381	50	20	DDGD	
COC(=O)c1cccc(NC(=O)NNC(=O)c2ccccn2)c1	861708482	WPRMWNLQZHDZHO-UHFFFAOYSA-N	314.301	1.335	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)Nc2ccc(C(F)F)cc2)N1	933091573	CPIKUVUJHVQUJO-VIFPVBQESA-N	312.276	1.056	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H](O)[C@H](C)c2ccccc2F)n1	864688858	AQJCIBSXMCNFRM-BXUZGUMPSA-N	318.352	1.840	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)[C@@H]1CCCN1c1ncccn1	768453208	VYHVBWBHQTWJMW-LBPRGKRZSA-N	318.768	1.059	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2CCO[C@@H](C(C)C)C2)n1	935753517	WFLZTCSSPPSULG-GXTWGEPZSA-N	305.378	1.602	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NN=C2CCS(=O)CC2)c1	761801210	LEUJCZKPSCQSDA-UHFFFAOYSA-N	308.403	1.697	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)CCCc2ccccc2)CCO1	769715331	PVVPTWRGLDIAJD-HIFRSBDPSA-N	319.405	1.907	50	20	DDGD	
COc1cc(C=NN(C)C(N)=O)c(Br)cc1O	767911137	MZNOECOZXGOTSQ-UHFFFAOYSA-N	302.128	1.508	50	20	DDGD	
CC[C@@H](C)C(=O)NN=C1C(=O)N(C)c2cc(N(C)C)ccc21	761783143	UTZMWQOOPZONCN-SNVBAGLBSA-N	302.378	1.595	50	20	DDGD	
CCOC(=O)CCSCC(=O)NNC(=O)c1ccccc1	865378627	VLCLVTUDILRISK-UHFFFAOYSA-N	310.375	1.134	50	20	DDGD	
NC(=O)N1CCC[C@@H](C(=O)NNc2cccc(F)c2Cl)C1	862506153	MCTMUAPWQZYCDA-MRVPVSSYSA-N	314.748	1.713	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN(CC(F)F)C1)c1ccccc1	864412117	ILRWGONSKOWCQD-LBPRGKRZSA-N	311.332	1.425	50	20	DDGD	
O=C(CSc1nc2ncccc2s1)NNC(=O)C1CC1	865375465	SHTRIMDMJJPPKE-UHFFFAOYSA-N	308.388	1.341	50	20	DDGD	
CCc1csc(-n2cc(C(=O)NNC(=O)C(C)(C)C)cn2)n1	762742556	MAMDRJPTZBRGTI-UHFFFAOYSA-N	321.406	1.698	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NN=C3CCN(C)C3=O)cc2C1	761766608	IKLNJGDMNAOUCZ-SECBINFHSA-N	305.403	1.821	50	20	DDGD	
O=C(NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)c1ccc(Cl)cc1O	878340514	MYBWTPUFCPNDJK-GMOODISLSA-N	324.764	1.622	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@H]2C[C@@H](O)C2)cc1	873771288	RKYSWQDHYRRFRC-JGZJWPJOSA-N	309.391	1.174	50	20	DDGD	
CCOc1ccc(C=NNC(=O)COCCOC)cc1OC	872402666	NGLQCYUCDRBYAX-UHFFFAOYSA-N	310.350	1.207	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H](CC)N(C)C)c1	874949801	DYFJRKNQFJUMDU-ZDUSSCGKSA-N	304.419	1.326	50	20	DDGD	
C[C@@H](NC(=O)NNc1cc(Cl)ccn1)[C@H]1CN(C)CCO1	778705728	OIRBCDGVCXZVTG-MWLCHTKSSA-N	313.789	1.080	50	20	DDGD	
CC(C)[C@@H](CO)NC(=O)NNC(=O)C(C)(C)c1ccccc1	778661745	NGWSDCVUXLNUER-CYBMUJFWSA-N	307.394	1.312	50	20	DDGD	
O=C(/C=C\[C@@H]1CCCNC1)NNc1nc(-c2ccccc2)no1	876644783	IAGJRONNYSYDCN-LAUAKBEESA-N	313.361	1.736	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)CN2CCc3ccccc32)n1	779375561	YDMGZQKENIUAES-UHFFFAOYSA-N	318.768	1.218	50	20	DDGD	
COc1ccc(SC)c(OC)c1C(=O)NNC(=O)C1CC1	775638459	IRNDTKQVBPCWCP-UHFFFAOYSA-N	310.375	1.597	50	20	DDGD	
N#C/C(=C/c1cn(-c2ccccc2)nn1)C(=O)N=c1cc[nH]cc1	774560622	MOHKJMDINXPFEB-RAXLEYEMSA-N	316.324	1.630	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNC(=S)Nc1ccccc1OC	873768914	GNLGRSGUHFGERH-AWEZNQCLSA-N	309.391	1.340	50	20	DDGD	
CS[C@@H](C)CCC(=O)NNC(=O)c1ccc2c(c1)OCO2	773183546	WKQCIBMIFHQSMY-VIFPVBQESA-N	310.375	1.708	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(Br)ncc1C	776056250	OXKAOLPSIJOGOJ-UHFFFAOYSA-N	301.144	1.715	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(Br)c(C)n1	879204057	OLNKPGMXISLOOM-UHFFFAOYSA-N	317.187	1.767	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1c[nH]nc1C)c1ccc(OC)cc1	775725353	MSXYNTVZRQZGHH-ZDUSSCGKSA-N	316.361	1.682	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)C1CCOCC1)c1ccc(F)cc1	883062799	RPEIJANCJCVHKA-KHPPLWFESA-N	306.337	1.803	50	20	DDGD	
O=C1COc2ncc(C(=O)NNc3nc4ccccc4[nH]3)cc2N1	771386314	DFIHYFYYKAIUTH-UHFFFAOYSA-N	324.300	1.046	50	20	DDGD	
Cc1nccc(NC(=O)NNC(=O)c2ccc(Cl)nc2)n1	776492932	BJIHONZPGUTILB-UHFFFAOYSA-N	306.713	1.300	50	20	DDGD	
Cc1cnn(-c2c(C(=O)NNC(=O)C(C)(C)C)c(C)nn2C)c1	777776697	XZZFYVVBLSCDSM-UHFFFAOYSA-N	318.381	1.030	50	20	DDGD	
O=C(NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21)NNC(=O)c1cccnn1	883522422	OVYFFAFDPIPXGD-UMVBOHGHSA-N	323.356	1.007	50	20	DDGD	
CC(C)Cc1ccc(CC(=O)NNC(=O)c2cccnn2)cc1	882061326	DDUODWWXRODQNI-UHFFFAOYSA-N	312.373	1.679	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1c(C)[nH]c2ccccc12	771913799	AAQXKIFAWVPFDX-SNVBAGLBSA-N	317.345	1.579	50	20	DDGD	
CC(=O)N1CC(C(=O)NNc2ncccc2C(F)(F)F)C1	788587623	GHAYCMQZWNZZBJ-UHFFFAOYSA-N	302.256	1.022	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(CN2CCCC2)cc1	887141790	ITOXXHJHWRQNHK-UHFFFAOYSA-N	313.401	1.847	50	20	DDGD	
O=C(NCCO[C@@H]1CCOC1)NNc1ccc(Cl)cn1	1122132401	UTKDPDKOUPBOMT-SNVBAGLBSA-N	300.746	1.167	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)c2ccc(C#N)cn2)c1	788254719	NHKONILUBMWJLI-UHFFFAOYSA-N	324.344	1.804	50	20	DDGD	
CC(C)[C@H](F)C(=O)NNC(=S)NCCc1cccs1	784144192	HPUZAEIGBVFLIP-JTQLQIEISA-N	303.428	1.780	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N[C@H]1CC[C@H](C)C1	780782247	IOECUFVNZVQDBC-JQWIXIFHSA-N	315.377	1.775	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1nc2ccc(Cl)cc2n1C	785459819	DAWFAFDXQHGFFB-UHFFFAOYSA-N	308.769	1.838	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2nc(C)cs2)cc1	783039338	MWJAXBSRAPWLEV-UHFFFAOYSA-N	306.347	1.542	50	20	DDGD	
Cc1ccc(C)c(C(=O)NNc2ccccc2S(N)(=O)=O)c1	788227684	FUHAKPCVBFTMQR-UHFFFAOYSA-N	319.386	1.708	50	20	DDGD	
COc1cccc(C2=NO[C@H](C(=O)NNC(=O)C3CCC3)C2)c1	792167466	SHRLQUAAJPDVIT-AWEZNQCLSA-N	317.345	1.136	50	20	DDGD	
CN(C)c1cccc(CCC(=O)NNC(=O)NCC2CC2)c1	792084170	HSLWHYIQDVLJFV-UHFFFAOYSA-N	304.394	1.426	50	20	DDGD	
CC(=NNC(=O)Cc1nc2ccccc2n1C)c1ccnc(O)c1	790289517	JWRYCLVGDNDMID-UHFFFAOYSA-N	323.356	1.757	50	20	DDGD	
CCn1ncc(NC(=O)NN=c2cc[nH]cc2)c1C(F)(F)F	799236663	CPMZEUQAIJVGQU-UHFFFAOYSA-N	314.271	1.887	50	20	DDGD	
CC(=NNC(=O)c1ccncc1)c1ccccc1-n1ccnn1	794856446	LDQREBHRCITXIS-UHFFFAOYSA-N	306.329	1.816	50	20	DDGD	
CCc1[nH]nc(C(=O)NNc2cccnn2)c1Br	790018246	CHLIMNUZHNOBFP-UHFFFAOYSA-N	311.143	1.282	50	20	DDGD	
CCC[C@@H](CCCS(C)(=O)=O)C(=O)NNc1cnccn1	790029481	QPKZTQJOCKEIKQ-NSHDSACASA-N	314.411	1.161	50	20	DDGD	
CC(Cn1cc(C(F)(F)F)ccc1=O)=NNC(=O)C(F)F	794529103	ADCSQYNASNQHMG-UHFFFAOYSA-N	311.210	1.624	50	20	DDGD	
COc1ccc(Br)c(/C=C(/C#N)S(N)(=O)=O)c1	799893222	SBCLHUWMHYFAMO-UITAMQMPSA-N	317.164	1.611	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2cc(F)c(F)cc2F)CC1	790174981	UXERSDRYEMRYHH-UHFFFAOYSA-N	300.284	1.395	50	20	DDGD	
CSSCCNC(=O)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1	790879081	NHLKUVINXOLZQC-WDEREUQCSA-N	319.496	1.944	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H](C)[C@@H]2CCCOC2)n1	793043780	URMUOFLGYYOTKM-NWDGAFQWSA-N	306.366	1.149	50	20	DDGD	
Cc1c(C(=O)NNc2ncc(F)cn2)nnn1CC1CCCC1	790006327	ZZQCZCWXXDKGQB-UHFFFAOYSA-N	319.344	1.463	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=C1CCC(C(F)F)CC1	799481198	MWOBLZOSJKAJFF-UHFFFAOYSA-N	314.292	1.358	50	20	DDGD	
COC(=O)NNC(=O)CSc1ccc(Br)cc1	1317745624	CVBDFVOBIUFIFN-UHFFFAOYSA-N	319.180	1.928	50	20	DDGD	
Cc1n[nH]cc1CNC(=O)NNC(=O)c1ccccc1Cl	1317915949	HZWGIWVIJGODPK-UHFFFAOYSA-N	307.741	1.516	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H](C)NC(=O)C(C)(C)C)cc1	1317771785	ISSPGIUJICIHSZ-JTQLQIEISA-N	321.377	1.007	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC2(CC1)CC(=O)N2	1327798592	ZUQBGTUQJAUBCM-JTQLQIEISA-N	317.227	1.677	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)Nc2ccccc2)C[C@H]1Br	1329510152	HKJFXOJDRKVORL-MFKMUULPSA-N	311.179	1.915	50	20	DDGD	
C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(CCl)cc2)C1	394061120	YDHSRIVPYDLTIB-CYBMUJFWSA-N	303.811	1.961	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1NC(=O)NNc1ncc(F)cn1	1321383006	OVDARQNZPZKYHQ-UHFFFAOYSA-N	307.333	1.795	50	20	DDGD	
CC(C)C[C@@H]1C[C@H]1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1324411596	KHNBRRXBOCSPHE-ZYHUDNBSSA-N	304.394	1.732	50	20	DDGD	
CC[C@@H](OC)C(=O)NNC(=O)c1ccc(Br)cc1	1322069178	LIQYNFLCOZUJJA-SNVBAGLBSA-N	315.167	1.635	50	20	DDGD	
C=C[C@@H](COC)NC(=O)NNc1cc(C(F)(F)F)ccn1	1328120399	FWDFAXIQYVYHMT-VIFPVBQESA-N	304.272	1.928	50	20	DDGD	
CCN(C[C@H](CBr)C1CC1)[C@H]1CCS(=O)(=O)C1	701858889	LANVTJVESOFFNF-RYUDHWBXSA-N	324.284	1.917	50	20	DDGD	
CN1CCN(S(=O)(=O)CCCCCl)c2cccnc21	275865114	ZESXFLSAFGQTOA-UHFFFAOYSA-N	303.815	1.687	50	20	DDGD	
Cc1ccc(NNC(=O)c2cccc(C(N)=O)n2)cc1Cl	1320839814	PAQQJWNDUJTHGZ-UHFFFAOYSA-N	304.737	1.899	50	20	DDGD	
C[C@H](C(=O)NNc1cc(C(F)(F)F)ccn1)[C@H]1CCC(=O)N1	1329487214	WMFOQSFGOMWDSO-IONNQARKSA-N	316.283	1.458	50	20	DDGD	
CCc1ccccc1CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	1328118599	CODKDGFRBUAWGD-SMDDNHRTSA-N	305.378	1.504	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cnc([C@H](C)O)s2)cc1	1320866548	YETKPOAIIUCDKJ-VIFPVBQESA-N	305.359	1.969	50	20	DDGD	
O=C(CCl)NCc1cccc(OCCN2CCOCC2)c1	1253963268	MCATXFOHVSZDCG-UHFFFAOYSA-N	312.797	1.253	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H](NS(=O)(=O)CC(C)(C)CCl)C1	1334308943	ONMANWFLWLARFH-ZJUUUORDSA-N	311.831	1.513	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)NCC2=CCCC2)C[C@@H]1Br	1331084656	JZQFYFCWFFYVJL-GXFFZTMASA-N	315.211	1.503	50	20	DDGD	
C#CCCOc1ccc(C=NNC(=O)C2CCOCC2)cc1	1331361584	RYFWCTLFPRCVLS-UHFFFAOYSA-N	300.358	1.965	50	20	DDGD	
Cc1nc(NS(=O)(=O)c2ccc(CCCl)cc2)nn1C	794073274	GNGNGBORFMYTAH-UHFFFAOYSA-N	314.798	1.706	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@H]2CCCCO2)cnn1C1CCCC1	1261264738	CIPVRFCCAQLHET-CQSZACIVSA-N	320.393	1.637	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1ccc(-c2c(F)cccc2F)o1	1602071971	FRONTXPAPNHOTA-UHFFFAOYSA-N	323.255	1.943	50	20	DDGD	
O=C(NCc1noc(C2CC2)n1)NNc1cccc(C(=O)O)c1	1601551240	PNZSIQQDLGNQTG-UHFFFAOYSA-N	317.305	1.472	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2Cc3ccccc3O2)c(F)c1	1602385691	YYHNXSAFXNTFMR-CQSZACIVSA-N	316.288	1.971	50	20	DDGD	
Cc1cc(NNC(=O)[C@@]2(C(=O)O)C[C@H]3CC[C@H]2C3)nc(C)n1	1605213598	XHBIINMPDSUCBK-ZIBATOQPSA-N	304.350	1.428	50	20	DDGD	
O=C(O)Cc1cccc(C(=O)NNc2nc3ccccn3n2)c1	1602135091	NKHYUKVEMXJTTP-UHFFFAOYSA-N	311.301	1.113	50	20	DDGD	
O=C(O)c1coc(C(=O)NNC(=O)c2ccc(Cl)cc2O)c1	1608986275	BQMLGVFIRVKBDM-UHFFFAOYSA-N	324.676	1.412	50	20	DDGD	
Cn1cc(/C=C\C(=O)NNc2ccc(C(=O)O)c(Cl)c2)cn1	1608110483	SCDNZBKDSDDIOG-DJWKRKHSSA-N	320.736	1.928	50	20	DDGD	
Cc1cccc(NNC(=O)NCCOCC(=O)O)c1Cl	1600542750	YYZKLHMMJHUNNF-UHFFFAOYSA-N	301.730	1.376	50	20	DDGD	
O=C(O)CC(=O)NNC(=O)c1ccc(COc2ccccc2)o1	1601888233	PUTWIEUMJUKVLG-UHFFFAOYSA-N	318.285	1.094	50	20	DDGD	
Cn1cc([C@H]2OCCC[C@H]2C=NNC(=O)C2CCOCC2)cn1	1552918635	DSRLWUUXARHYJY-ZFWWWQNUSA-N	320.393	1.416	50	20	DDGD	
Cc1ccc(C[C@@H](C)C(=O)NN(C)C(=O)N2CCNCC2)cc1	1579684605	MUTFIJRIELMYBF-CQSZACIVSA-N	318.421	1.162	50	20	DDGD	
COc1cccc2c1CC[C@@]2(N)C(=O)NNc1cc(C)ncn1	1579291035	FDFBPAHCBNIWQJ-INIZCTEOSA-N	313.361	1.037	50	20	DDGD	
CCCC(=O)N1CC2(CCCN2C(=O)[C@@H](C)Br)C1	1846176008	HMRJGQDBZGZIBV-SNVBAGLBSA-N	317.227	1.773	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)Cc1cnc[nH]1)C2	1845164480	HZSULCBBCQBBMD-GFCCVEGCSA-N	324.812	1.173	50	20	DDGD	
O=C(CC(F)(F)F)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843362939	KUZZMRJKYUQSOD-QMMMGPOBSA-N	316.682	1.677	50	20	DDGD	
CC(C)(CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1CC1	1847436357	SHMXSTXKGWXWPT-KBPBESRZSA-N	322.836	1.867	50	20	DDGD	
CN(NC(=O)c1cc(O)cc(-c2nn[nH]n2)c1)c1ccccc1	1591154224	IKBIEAPNPLIASC-UHFFFAOYSA-N	310.317	1.354	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)CCc1cncs1	1599376999	HTHMTFUSWUWIHV-UHFFFAOYSA-N	321.358	1.926	50	20	DDGD	
Cc1c(C(=O)NNc2ncccc2C(=O)O)cnn1C(C)(C)C	1594256539	AAGLUKYLVXIHDH-UHFFFAOYSA-N	317.349	1.797	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NN=C1CC[C@@H](C(=O)O)C1	1593621885	YWTJMCGMZARJIV-NXEZZACHSA-N	308.309	1.950	50	20	DDGD	
N#CCc1cccc(NC(=O)NNc2ncccc2C(=O)O)c1	1594611282	QKRZFARCKCJQDZ-UHFFFAOYSA-N	311.301	1.994	50	20	DDGD	
CC(=NNC(=O)c1cccnn1)c1cc(C(=O)O)c(C)nc1C	1776103444	JKWJHVKSAJSODB-UHFFFAOYSA-N	313.317	1.341	50	20	DDGD	
COC(=O)/C(C#N)=C\c1cn(CC(=O)O)nc1-c1ccccc1	1776114891	FQYVXJAYZPAJOP-GHXNOFRVSA-N	311.297	1.715	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)c2ccc(O)nc2)c(Cl)c1	1776094192	GRXVXVWXCBEYEX-UHFFFAOYSA-N	319.704	1.903	50	20	DDGD	
Cn1cc(C(=O)O)cc1C=NNC(=O)CCc1ccccc1O	1776042300	BYQWOQMEZVCWQF-UHFFFAOYSA-N	315.329	1.512	50	20	DDGD	
CC(C)[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1cnn(C)c1	152476075	QEMCWXPTSCZGFJ-OAHLLOKOSA-N	314.389	1.696	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccnc(-n2cccn2)c1	155141439	JGKLGSGTKZGKAQ-UHFFFAOYSA-N	301.350	1.465	50	20	DDGD	
O=C(CCC(=O)NC1CCCC1)NNC(=O)c1ccccc1	157570447	YVKPGPNRGYVZKO-UHFFFAOYSA-N	303.362	1.287	50	20	DDGD	
NC(=O)C1(NS(=O)(=O)c2ccc(CCl)cc2)CCCC1	914126682	GUSBFVLFBOSQMG-UHFFFAOYSA-N	316.810	1.502	50	20	DDGD	
COc1ccc(C(=O)NNC=C2C(=O)CC(C)(C)CC2=O)cc1	49955	COGHEKFOGWIVJD-UHFFFAOYSA-N	316.357	1.772	50	20	DDGD	
N#CC1(C(=O)NNC(=O)CCc2ccccc2)CCOCC1	109141937	QRRGOTNPWQKDDD-UHFFFAOYSA-N	301.346	1.087	50	20	DDGD	
CN(Cc1nccn1C(F)F)C(=O)NNC(=O)C(C)(C)C	109150868	XTUJYFJGCYOPDN-UHFFFAOYSA-N	303.313	1.497	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)c2cccc(C#N)c2)cn1	103402216	LFZBODSMONZRBR-UHFFFAOYSA-N	309.329	1.094	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(C)Cc1ccccc1O	111235761	ITJYFDSQVJUSQZ-LBPRGKRZSA-N	307.394	1.406	50	20	DDGD	
COC(=O)c1cc(C(=O)NNC(=O)CC(C)C)cc([N+](=O)[O-])c1	10160460	WLEHXOCIHJWMKH-UHFFFAOYSA-N	323.305	1.189	50	20	DDGD	
Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccs2)s1	10647566	FRHHQIILRGLFGN-UHFFFAOYSA-N	324.383	1.736	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)Cc1cccnc1	103513106	VEWWQAOVTGOPED-ZIAGYGMSSA-N	304.394	1.923	50	20	DDGD	
CCOC(=O)N[C@H](C(=O)NNc1ncccc1Cl)C(C)C	114884123	KLLGFWBHCKVLIK-JTQLQIEISA-N	314.773	1.949	50	20	DDGD	
CS(=O)(=O)CCC(=O)NNc1ccccc1Br	119965461	WYIDOVQOWMNPHC-UHFFFAOYSA-N	321.196	1.327	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1C1CC1)c1cc(-c2ccccc2)n[nH]1	175857526	XQMFBAFDWSMTHN-QWHCGFSZSA-N	310.357	1.884	50	20	DDGD	
COc1ccccc1/C=C/C(=O)NNC(=O)NC1CCCC1	65920846	GHGYWXSMBRFTIM-ZHACJKMWSA-N	303.362	1.981	50	20	DDGD	
CCN(CCNC(=O)NNC(=O)Cc1ccccc1F)C(C)C	66926483	SWRKGUJCLAKXND-UHFFFAOYSA-N	324.400	1.429	50	20	DDGD	
CN1CCC[C@@H]1CNC(=O)NNc1cc(F)c(F)cc1F	115810363	SMSYNVXDUBPURB-MRVPVSSYSA-N	302.300	1.824	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCCCCC#N	171450316	QVFOZRLEKJCURI-NSHDSACASA-N	322.340	1.617	50	20	DDGD	
CN(C)Cc1ccc(C(=O)NNc2ccc(Cl)nn2)cc1	118496990	AYLSBQUESGKJQQ-UHFFFAOYSA-N	305.769	1.949	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](C(C)C)N2CCCCC2)n1	174480293	PRPQVMYEGOSGLX-CQSZACIVSA-N	321.425	1.747	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCCOCC1CC1	67610273	FEDHYCUABOMTQA-UHFFFAOYSA-N	321.377	1.456	50	20	DDGD	
COCCOc1cccc(CC(=O)NNc2ccccn2)c1	181224586	YIOJMYXLFIJOLY-UHFFFAOYSA-N	301.346	1.793	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1cccnc1-c1csc(C)c1	187546756	WUVPDKNTMNUJCE-UHFFFAOYSA-N	318.358	1.224	50	20	DDGD	
CCc1nnc(NC(=O)NNC(=O)CCc2ccccc2)s1	182841739	ZGTQBORVRZNAPT-UHFFFAOYSA-N	319.390	1.886	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CN(C)C)csc1Br	185399851	VAKJUZJRZMLXEC-UHFFFAOYSA-N	320.212	1.142	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)C2(CCOC)CC2)n1	127196740	SZVGKRRAVWOHJW-UHFFFAOYSA-N	307.398	1.583	50	20	DDGD	
Cn1c(=O)oc2c(C(=O)NNC(=O)CC3CCCC3)cccc21	124253271	OVUBORVQRNGAIL-UHFFFAOYSA-N	317.345	1.473	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)Nc1ccc(F)cn1	122868583	FGGCBLCZUWEOEZ-UHFFFAOYSA-N	306.272	1.755	50	20	DDGD	
CN(C)CC(=O)NNC(=O)CCCOc1ccc2c(c1)CCC2	120059957	YIBCIGHHAWSPHG-UHFFFAOYSA-N	319.405	1.043	50	20	DDGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C(=O)NC(C)(C)C	188284604	APUZAJJSEVKUSB-NASPGAHYSA-N	315.373	1.719	50	20	DDGD	
CC(C)CCCNC(=O)NNc1ccc(-n2cccn2)nn1	79250071	RJSCISUKUVVRMN-UHFFFAOYSA-N	303.370	1.725	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNc1cc(Cl)ccn1	182975425	WAYKWPKDUXQVDM-UHFFFAOYSA-N	300.746	1.703	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CNc2ccc(C)cc2C)on1	138394624	VZBHUYWIZPLAOL-UHFFFAOYSA-N	318.333	1.173	50	20	DDGD	
CC[C@H](C)Oc1cc(C(=O)NNC(=O)c2ccncc2)ccn1	132478464	NALDDZKNJWGYQI-NSHDSACASA-N	314.345	1.729	50	20	DDGD	
O=C(COCC(F)(F)F)NNc1ncnc2ccsc12	132831420	URIWVLPKYQSJQL-UHFFFAOYSA-N	306.269	1.713	50	20	DDGD	
C=C[C@@](C)(CC)C(=O)NNc1nccc(N2CCOCC2)n1	135122837	AAWOSAJXKCSTNP-HNNXBMFYSA-N	305.382	1.359	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H]1CCCCC(=O)N1)c1ccccc1	194088974	OGBUOOFCKMBPSK-KGLIPLIRSA-N	317.389	1.386	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](C)Cn1ccnc1	47029012	HXZWTVPMTSKEIF-LBPRGKRZSA-N	301.350	1.224	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)C(F)(F)c1ccccc1	191897599	FBSZYZUDYRCULW-UHFFFAOYSA-N	303.272	1.964	50	20	DDGD	
O=C(NN=Cc1ccccc1[N+](=O)[O-])c1n[nH]c2c1CCCC2	254824594	GQXIGXPQMRXWOI-UHFFFAOYSA-N	313.317	1.961	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2c(C)nn(C)c2OC)c1	269608215	NJBQBWLDMLGUNI-UHFFFAOYSA-N	308.313	1.642	50	20	DDGD	
COCCCOc1ccc(C(=O)NNC(=O)C2CCC2)cc1	267437689	WMEALANLIFISCS-UHFFFAOYSA-N	306.362	1.663	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CC1CCOCC1)c1ccccc1	265323362	WJLYUPWXUWNJIC-UHFFFAOYSA-N	304.390	1.928	50	20	DDGD	
COC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)NCc2ccco2)C1	266851913	PQFGNYVTBIUROP-QWRGUYRKSA-N	323.349	1.089	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc(Cl)cc1O	269791474	AAMZRTDFTVBCOY-UHFFFAOYSA-N	319.839	1.518	50	20	DDGD	
COc1nccnc1NNC(=O)c1[nH]c2c(c1C)C(=O)CCC2	274051861	HCHVGIUOYGUTBL-UHFFFAOYSA-N	315.333	1.398	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](C)Sc1ccc(OC)cc1	271443007	SGMXTMURKVOITF-JTQLQIEISA-N	311.407	1.868	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H](C(=O)NNC(=O)c2ccccc2O)C1(C)C	275513451	XQDRTSJBJUXCQG-JQWIXIFHSA-N	318.373	1.795	50	20	DDGD	
N#CCc1ccc(C(=O)NNC(=O)NCC(F)(F)F)cc1	270374652	LFSBLUVFJBUFKT-UHFFFAOYSA-N	300.240	1.259	50	20	DDGD	
CC(C)OCCCC(=O)NNC(=O)Cn1cnc2ccccc21	273045065	JICCOGXBPYVNRH-UHFFFAOYSA-N	318.377	1.389	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H](C(=O)NNC(=O)c2ccncc2)C1(C)C	275582465	ZIQKVRVIHCGZNL-ZYHUDNBSSA-N	303.362	1.484	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H]1CCO[C@@H]1c1nccn1CC	275544954	ZXAUSLMJFCNHHT-QFEHZMRISA-N	304.350	1.293	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1	273579117	GRINSCWENGYALD-UHFFFAOYSA-N	302.277	1.948	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(C)cc1F	272342786	NBLVPGDSFWJFMJ-JTQLQIEISA-N	313.329	1.338	50	20	DDGD	
COc1cc(NC(=O)C(=O)NCCSSC)ccn1	288382382	LRNQZLBYHVGXQZ-UHFFFAOYSA-N	301.393	1.156	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@H]1COCCN1C1CCCC1	286379847	FTKMLJOFXDPACM-GFCCVEGCSA-N	308.357	1.307	50	20	DDGD	
CSSCCNC(=O)N1CCO[C@]2(CCO[C@@H]2C)C1	375127945	JKLNTDQBVPESHI-ZYHUDNBSSA-N	306.453	1.587	50	20	DDGD	
Cn1cc2c(n1)CCC[C@H]2C(=O)NNC(=O)NC1CCCCC1	373842320	ATBKXUTXAYKMAA-GFCCVEGCSA-N	319.409	1.503	50	20	DDGD	
COCC1(CNC(=O)NNC(=O)c2ccc(C)s2)CCC1	281760278	CEXOLUPMATZJIB-UHFFFAOYSA-N	311.407	1.817	50	20	DDGD	
COC(=O)C(C)(C)CCNC(=O)NNC(=O)c1ccccc1C	286855552	ZFSMAZVWPBUWTP-UHFFFAOYSA-N	321.377	1.528	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cc([C@H]2CCCOC2)nn1C	280208269	QANCNVBUSPIPJZ-QWRGUYRKSA-N	323.397	1.513	50	20	DDGD	
C[C@H](NC(=O)c1ccoc1)C(=O)NNC(=O)Nc1ccccc1	801989099	FQYTYLQQVZPAHW-JTQLQIEISA-N	316.317	1.251	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNC(=O)c1ccc(C)cc1O	805167518	KMXNILMHSHMLMO-UHFFFAOYSA-N	322.361	1.441	50	20	DDGD	
CC(F)(F)C(=O)NNC(=O)c1ccc(Br)s1	292657846	NCBLYXAIHOKXOY-UHFFFAOYSA-N	313.123	1.927	50	20	DDGD	
O=C(Cc1cccs1)NNc1ccc(-n2ccnc2)nn1	804957156	PWPQGOYGSMAXDP-UHFFFAOYSA-N	300.347	1.410	50	20	DDGD	
CCCC[C@H](C)C(=O)OCC(=O)NNC(=O)c1ccccc1	800276571	OQUSRQSOCTUBBY-LBPRGKRZSA-N	306.362	1.817	50	20	DDGD	
CCCN(CC)C[C@@H](C)NC(=O)NNc1ccc(Cl)nn1	290913056	IYNSTHIMXPNCNA-SNVBAGLBSA-N	314.821	1.877	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccc1F	295283776	CWWXLIQAMOPMHG-BBRMVZONSA-N	324.352	1.404	50	20	DDGD	
CC(=O)Nc1ccc(O)c(C(=O)NNC(=O)CC2CCCC2)c1	299547429	IONCUFYGLWFWSB-UHFFFAOYSA-N	319.361	1.692	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H](O)C(C)C)c1C	291493590	TWKONVIDHCOELQ-OCCSQVGLSA-N	308.378	1.235	50	20	DDGD	
Cc1cc(C(=O)NNc2cccc(F)n2)c(N)c([N+](=O)[O-])c1	804767673	DKQLKFINKBIMBJ-UHFFFAOYSA-N	305.269	1.776	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)Cn1cc([N+](=O)[O-])ccc1=O	808248238	GYAJWHZFKFLADB-UHFFFAOYSA-N	308.121	1.019	50	20	DDGD	
COc1nccc(NC(=O)NNc2cccc([N+](=O)[O-])c2)n1	801725155	GWMZFPGCJWCHJZ-UHFFFAOYSA-N	304.266	1.542	50	20	DDGD	
COc1ccc2c(c1)[C@@H](C(=O)NNc1ncncc1F)CC2	294097919	RNZVNJNGECESPD-NSHDSACASA-N	302.309	1.797	50	20	DDGD	
COC(=O)COc1c(C)cc(/C=C(\C#N)C(=O)OC)cc1C	299340852	GOIJLDJAKPVNDZ-NTUHNPAUSA-N	303.314	1.935	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1ccccc1NCc1cccnc1	816632440	IWTFFKGHVIUWJG-UHFFFAOYSA-N	309.333	1.569	50	20	DDGD	
Cn1c2c(ccc1=O)C(=NNC(=O)c1ccc(O)cc1)CCC2	814691419	AHOSKPOVRQLQBO-UHFFFAOYSA-N	311.341	1.561	50	20	DDGD	
CCC1(CC)C(=O)NCCC1=NNC(=O)c1ccc(C#N)cc1	819807715	UXUVFBSWZBBJKJ-UHFFFAOYSA-N	312.373	1.970	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1c(Cl)cncc1Cl	814626250	KZPXERSGKXOKCH-UHFFFAOYSA-N	303.149	1.742	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc(C=O)c[nH]1	814737089	WOMFZVNFPNTMMQ-SECBINFHSA-N	319.292	1.195	50	20	DDGD	
Cn1nncc1NNC(=O)c1cccnc1SC(F)F	816769879	ADHBFMMENLEWAI-UHFFFAOYSA-N	300.294	1.282	50	20	DDGD	
CCC(=O)NN=C(CC)c1ccccc1OCC(=O)N(C)C	814708528	NFNCXCYWWMOBAI-UHFFFAOYSA-N	305.378	1.794	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cc(C(N)=O)cs1	725733725	ZQDMEHCBPFCHFC-UHFFFAOYSA-N	322.298	1.983	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2CCCC[C@H]2CCCO)n1	814753100	NHBAWPCASRTXGT-AWEZNQCLSA-N	306.410	1.935	50	20	DDGD	
C[C@H]1CC[C@@H](CCC(=O)NNc2ccc(-c3nn[nH]n3)cc2)O1	824906208	BAOPHAACCDBLQL-GWCFXTLKSA-N	316.365	1.658	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1n[nH]c2c1CCC2	728076327	BBJHEEWIJKWGEV-UHFFFAOYSA-N	311.305	1.100	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1c(F)c(F)cc(F)c1F	496461883	QJAMLJYMSOAKQG-UHFFFAOYSA-N	316.232	1.182	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NC(COC)COC)cc1	491087325	WXTUAQXMCGERKR-ZROIWOOFSA-N	318.373	1.770	50	20	DDGD	
N#Cc1ccc(NC(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1	826385196	AYQOUEOEQPXYPK-UHFFFAOYSA-N	320.316	1.887	50	20	DDGD	
CCN(CCO)NC(=O)c1c[nH]nc1-c1cc2ccccc2o1	823879479	NFTZCBWQDXMBAA-UHFFFAOYSA-N	314.345	1.782	50	20	DDGD	
COc1ccccc1OCCCNC(=O)NNC(=O)CC(C)C	729232038	CRLGLXGWEKUDAQ-UHFFFAOYSA-N	323.393	1.841	50	20	DDGD	
CCn1c(C)cc(C=NNC(=O)CNC(=O)c2ccco2)c1C	728226050	GEGNELLQZHXIMN-UHFFFAOYSA-N	316.361	1.598	50	20	DDGD	
COC(=O)NN=C1CCC[C@@H](N2C(=O)c3ccccc3C2=O)C1	491797350	LCQURZPZUQIQQZ-LLVKDONJSA-N	315.329	1.937	50	20	DDGD	
Cc1cc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)ccc1F	729144482	XQBZFJKXYIIROE-UHFFFAOYSA-N	324.319	1.874	50	20	DDGD	
CCc1[nH]nc(C(=O)NNC(=O)c2ccccc2F)c1[N+](=O)[O-]	726379945	WVNLBEAQEFUAKM-UHFFFAOYSA-N	321.268	1.094	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@H]2[C@@H](CCN2C)C1	827317877	CSWWXQFVIPVCSH-KBPBESRZSA-N	324.856	1.905	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)/C=C\C2CC2)o1	820203061	PGLIZLAFEGPTRT-WAYWQWQTSA-N	303.326	1.387	50	20	DDGD	
CNC(=O)NNC(=O)Cc1ccccc1NC(=O)OC(C)(C)C	494002900	VALDMORQJDENBR-UHFFFAOYSA-N	322.365	1.536	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCc1cc2ccccc2nc1O	823940560	ZNGYCLUJAZBJQJ-LLVKDONJSA-N	303.362	1.217	50	20	DDGD	
COC(=O)NCC(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	493161089	YJHLSNFPUZRQAP-UHFFFAOYSA-N	316.239	1.376	50	20	DDGD	
CC1(C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCOCC1	824783257	FBPZYUMMEOXJCA-UHFFFAOYSA-N	302.338	1.127	50	20	DDGD	
Cc1cn2ccc(C(=O)NNC(=S)N[C@@H](C)C3CC3)cc2n1	824328702	WARQEHVTUWNFAT-JTQLQIEISA-N	317.418	1.550	50	20	DDGD	
O=C(NNC(=S)NCCc1cccnc1)c1ccccc1F	727693172	VGCDFAROUOZCRC-UHFFFAOYSA-N	318.377	1.572	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H]1CCCN1C(=O)c1ccccc1	822203666	GPTALXUPQMAYHW-CYBMUJFWSA-N	303.362	1.095	50	20	DDGD	
CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)c1cc(C)nc2ccccc12	907954863	VWRLVTORTKFDJT-IAQYHMDHSA-N	315.373	1.711	50	20	DDGD	
OB(O)c1ccc(CNCC2(Sc3ccccc3)CC2)o1	585019495	BLOOZDOVIJPZLC-UHFFFAOYSA-N	303.192	1.374	50	20	DDGD	
O=C(CN1CCOC1=O)NNc1cc(Cl)ccc1Cl	821157793	AZGHRFBNIDAGTF-UHFFFAOYSA-N	304.133	1.889	50	20	DDGD	
CCCc1c(C(=O)NN(C)[C@H](C)CO)[nH]c(C)c1C(=O)OC	823970526	HVNRKVVRFALQMB-SECBINFHSA-N	311.382	1.020	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H](C)Cc1ccc(OC)c(OC)c1	495103236	CPVGRTBHTBLAAO-JTQLQIEISA-N	310.350	1.660	50	20	DDGD	
COc1cc(C=NNC(=O)c2ncon2)c2c(c1)C[C@@H](C)O2	901289072	AQFPMBFEOMSYMX-MRVPVSSYSA-N	302.290	1.166	50	20	DDGD	
N#Cc1ccccc1/C=C\C(=O)NNc1cc(Cl)[nH]c(=N)n1	588506716	RGTIDURRPPAWRL-WAYWQWQTSA-N	314.736	1.571	50	20	DDGD	
CCS[C@H]1CC[C@H](N(C)C(=O)c2ccc(B(O)O)cc2)C1	584955191	SFXOXXYWSWXMKJ-KBPBESRZSA-N	307.224	1.113	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)COc1ccccc1O)C1CC1	730901582	CIAKAJUQBOTZQY-SNVBAGLBSA-N	307.350	1.148	50	20	DDGD	
CCn1cc(C=NNC(=O)c2cccc(S(C)(=O)=O)c2)cn1	732528647	SMBADEYHIOKDQG-UHFFFAOYSA-N	320.374	1.070	50	20	DDGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NOCCO)c1C	490690898	DUBJWYCWHCVRCD-AZZDOICSSA-N	321.377	1.259	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)c1	905104910	YYEHZRGHIZEWOZ-WCFLWFBJSA-N	303.387	1.538	50	20	DDGD	
COC(=O)CN(C(=O)/C(C#N)=C\c1ccc(O)cc1)C1CC1	490696548	PDMYRJXURZWSIN-WQLSENKSSA-N	300.314	1.463	50	20	DDGD	
Cc1cccc(C2(C(=O)N3CC[C@H](B(O)O)C3)CCCC2)c1	585073203	VRNDPYHHGIDTHU-HNNXBMFYSA-N	301.195	1.882	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NO[C@H](CO)C(C)C)cc(C#N)n1C	491044989	DKINZQFUEVAPJT-KSKAUBAUSA-N	316.361	1.177	50	20	DDGD	
O=C(/C=C/[C@H]1CCOC1)NNC(=O)CCCc1ccccc1	493763384	XWOKPNQTAVOWRX-FEAKQIBJSA-N	302.374	1.749	50	20	DDGD	
O=C(NN=Cc1ccc(-n2cncn2)c(F)c1)[C@@H]1CCCCO1	834990011	XOLXCWNBYDGEQD-AWEZNQCLSA-N	317.324	1.426	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NNC(=O)Cc1cccnc1	491088102	YPMZREXLJXIWQF-RIYZIHGNSA-N	322.324	1.084	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C#CC(C)(C)C)cc1C	837309241	GCWCQUNUUDYUQG-UHFFFAOYSA-N	302.374	1.879	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2c(C)[nH]c(C(=O)O)c2C)n1	831973054	YRTHVXMLTSEXNW-UHFFFAOYSA-N	319.321	1.194	50	20	DDGD	
O=S(=O)(CCl)NC1CCC(O)(c2ccccc2)CC1	831104665	ARBWQKGLJAGKMW-UHFFFAOYSA-N	303.811	1.933	50	20	DDGD	
O=C(/C=C\c1cnccn1)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	739216502	OHGDUVCQNKPRFF-RJRFIUFISA-N	315.241	1.702	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21	908032074	HERAYLFUPRRDJB-CQFDHEJISA-N	306.293	1.281	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCCCC[C@@H]1c1ccco1	584951650	YJCCNUDMLKBHIW-OAHLLOKOSA-N	313.162	1.717	50	20	DDGD	
CN(C)c1ccccc1NC(=O)NNC(=O)[C@H]1CCCCO1	836259191	SGHRFXGXBIUYMR-CYBMUJFWSA-N	306.366	1.474	50	20	DDGD	
CC(=O)c1ccc2c(c1)CN(CC(=O)NNC(=O)C(C)(C)C)C2	839631782	AWXCEQYBLWBSCR-UHFFFAOYSA-N	317.389	1.398	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1	833242836	OXSXOASPRNOSTQ-GWCFXTLKSA-N	321.333	1.415	50	20	DDGD	
Cc1nn(C)c(-n2ccnc2C)c1C(=O)NCC(Cl)Cl	837645613	JKPMZOPHVSLCIZ-UHFFFAOYSA-N	316.192	1.756	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@H]2CCCC[C@@H]2O)c1F	837060886	IEFAWCPEPJFZGB-MFKMUULPSA-N	324.352	1.997	50	20	DDGD	
CC[C@@H](CNCc1ccc(B(O)O)cc1)Oc1ccccc1F	585030997	NZPHJZKUHMBUDL-HNNXBMFYSA-N	317.169	1.453	50	20	DDGD	
COc1nccc(C=NNC(=O)[C@@H](C)CN2CCC(C)CC2)n1	834935060	XYBDLPCBPULWCP-ZDUSSCGKSA-N	319.409	1.303	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cnn2ccccc12	731994591	VQEUFYAWNBCQAF-UHFFFAOYSA-N	310.313	1.418	50	20	DDGD	
COc1ccc(C(=O)NN(C)C[C@@H](C)O)cc1-c1ccccn1	910160111	FRHZJYSFXAIAMA-GFCCVEGCSA-N	315.373	1.715	50	20	DDGD	
CN1CCCC[C@@H]1C(=O)NNC(=O)c1ccc(Cl)cc1O	732275499	YQPGRNMSMUSYTJ-LLVKDONJSA-N	311.769	1.291	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2nc(C)n3ccccc23)n1	914599316	FGMRSHGEKPXULU-UHFFFAOYSA-N	310.361	1.606	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCCCO2)ccc1OC(C)=O	834987975	DWVGVPSJCQVGFB-AWEZNQCLSA-N	320.345	1.640	50	20	DDGD	
O=C(NCC[C@@H]1C[C@H]2CC[C@H]1C2)NNC(=O)[C@@H]1CCCCO1	836271282	ZFHKDBNRIGLEFZ-FQUUOJAGSA-N	309.410	1.712	50	20	DDGD	
C[C@@H](OC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)OC(C)(C)C	837970685	GLCAEFBFOYNVIP-GWHHBTOMSA-N	305.334	1.600	50	20	DDGD	
CCCSCC(=O)NNC(=O)COc1ccc(C)c(C)c1	917908804	XPNFQFCLRPDIDS-UHFFFAOYSA-N	310.419	1.973	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(OC)c1	831063267	WDKLQAFHCBWVIM-GXSJLCMTSA-N	323.349	1.282	50	20	DDGD	
Cc1ccccc1C(C)(C)C(=O)NNC(=O)CN1CCCC1=O	913730687	FEZDAFHQBSZVFD-UHFFFAOYSA-N	317.389	1.042	50	20	DDGD	
C[C@@H]([C@H](C)C(=O)NNc1cc(F)c(F)c(F)c1)S(C)(=O)=O	841409671	YAKVKCPPIOVSDB-BQBZGAKWSA-N	324.324	1.616	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)CC(F)(F)F)ccc1F	918063394	WNQKWQPAVLTJFK-UHFFFAOYSA-N	307.247	1.917	50	20	DDGD	
CCc1ncncc1C(=O)NNC(=O)CCc1ccccc1O	743337596	ADNZWYFHSPAMQQ-UHFFFAOYSA-N	314.345	1.138	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CS[C@H](C)c1nc2ccccc2[nH]1	910177014	HEZJFPDNLWBBAH-WDEREUQCSA-N	322.434	1.701	50	20	DDGD	
NC(=O)[C@H]1CC[C@H]1C(=O)NNc1c(Cl)cccc1Cl	847582812	RALXNHOVTWDFOD-NKWVEPMBSA-N	302.161	1.948	50	20	DDGD	
O=C(NCC1=CCNCC1)NNc1cc(F)c(F)c(F)c1	841971157	GBPMKMHBSLEBDM-UHFFFAOYSA-N	300.284	1.650	50	20	DDGD	
NCCCC(=O)NNC(=O)N[C@@H](C1CCCC1)C(F)(F)F	841191293	KBGHUSPRDLRFPN-JTQLQIEISA-N	310.320	1.177	50	20	DDGD	
CC(C)c1ccc(NNC(=O)[C@@H]2CCc3nnnn3CC2)cc1	846249777	SUKGSVKSYVZHTG-CYBMUJFWSA-N	314.393	1.892	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)c1ccc(-n2ccnc2)nn1	743819419	OSAXQIMMRRDESJ-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
Cc1noc(C(F)F)c1C(=O)NNC(=O)c1cccc(C#N)c1	746217994	RONGLAWYWCRFCX-UHFFFAOYSA-N	320.255	1.867	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@H](C)NC(=O)NNC(=O)c1ccc(C)o1	840418299	SPYZXXKBWZTJDM-ZUZCIYMTSA-N	309.366	1.736	50	20	DDGD	
C[C@@H]1CCc2c(F)cccc2C1=NNC(=O)C(=O)NC1CC1	748250788	PTGQYRQASCMTIZ-SECBINFHSA-N	303.337	1.507	50	20	DDGD	
COCCOC[C@H](C)NC(=O)NNc1c(F)cccc1F	745865005	ZWGZZIPNIQNRDW-VIFPVBQESA-N	303.309	1.642	50	20	DDGD	
O=C(NN=Cc1ccncc1)c1csc(N2CCOCC2)n1	916338435	MTGWLXANHRZFMP-UHFFFAOYSA-N	317.374	1.139	50	20	DDGD	
COCCOc1ccccc1CNC(=O)NNC(=O)C(C)(C)C	918780396	FWLOLZFEJIRMOD-UHFFFAOYSA-N	323.393	1.588	50	20	DDGD	
Cc1cnn(-c2ccc(C(=O)NNC(=O)c3cccn3C)cc2)c1	916161264	VHBVXFVMVHGZOJ-UHFFFAOYSA-N	323.356	1.594	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)N[C@H]2[C@@H]3CNC[C@@H]32)c(Cl)c1	841999336	HCXOQTCUKZLHSE-GDGBQDQQSA-N	323.784	1.202	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CCC(=O)C2)c(C)c1	844129386	ZWBBMXPCMOGDEK-GFCCVEGCSA-N	303.362	1.232	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cccc(NC(=O)c2ccco2)c1	910171596	YOXYZYKGSZTXRS-LLVKDONJSA-N	317.345	1.489	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccc(C(N)=O)o1)c1ccccc1	747415833	KXEBCYYOCICFCF-NSHDSACASA-N	315.329	1.333	50	20	DDGD	
O=C(NNC(=S)NC1CC1)c1cc(-c2cccs2)[nH]n1	916162880	GKKLFJMDFOPMJI-UHFFFAOYSA-N	307.404	1.410	50	20	DDGD	
CCCNCCNC(=O)NNC(=O)Cc1c[nH]c2ccccc12	841962288	YXUNFWIWVGUWFK-UHFFFAOYSA-N	317.393	1.040	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(N(C)C)cc1F	843663806	YKYMRUGXUQUHCR-ONGXEEELSA-N	309.341	1.078	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@H](C(=O)O)C(C)C	848450518	GDNQFGNIPWVLLP-NSHDSACASA-N	315.801	1.825	50	20	DDGD	
O=C(NC[C@@H]1CCCCN1)NNC(=O)c1cccc(Cl)c1	841922901	UQZWYIPCBAVIHY-LBPRGKRZSA-N	310.785	1.426	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1C[C@]12CCc1ccccc12	843653159	MHOKWGFKYJDUIY-QCRGFSPQSA-N	314.385	1.463	50	20	DDGD	
CC1CCN(C[C@@H](C)C(=O)NN=Cc2ccc(C#N)o2)CC1	743431721	ZZWASQNZBRSGRC-CYBMUJFWSA-N	302.378	1.969	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CC[C@@H](CN)C2)c1F	842012090	XBBPCIQDHNTAQF-ZJUUUORDSA-N	324.356	1.366	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@@H](C)COCC1CC1	845584237	XPAVIUSIXKQYKO-ZDUSSCGKSA-N	319.405	1.683	50	20	DDGD	
C[C@@H](NC(=O)NNc1c(F)cc(F)cc1F)c1ncn(C)n1	922107210	SIFJDBFRPUNHBD-ZCFIWIBFSA-N	314.271	1.620	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(F)c1	843657545	CERBURITYJEGFF-MWLCHTKSSA-N	308.309	1.214	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(F)c1F)[C@H](C)S(C)(=O)=O	841408496	LMHJCMPYPXFGSZ-SFYZADRCSA-N	306.334	1.477	50	20	DDGD	
CO[C@H](C=NNC(=O)c1cccc(N(C)C)c1)[C@H]1CCOC1	841610160	ZVWQSOHWEWBDAC-DZGCQCFKSA-N	305.378	1.520	50	20	DDGD	
Cc1nnc2n1C[C@@H](C(=O)NNc1ccc(F)cc1F)CC2	750787021	FMIVVPLFLOFIBV-VIFPVBQESA-N	307.304	1.570	50	20	DDGD	
CN(NC(=O)c1csc(I)n1)C1CC1	854985667	WGFUDPZNZYEQNL-UHFFFAOYSA-N	323.159	1.487	50	20	DDGD	
CC(=O)N[C@@H]1CCN(C(=O)NC[C@]2(C)C[C@@H]2Br)C1	856893487	NVGWGYAHEMHKPM-SCVCMEIPSA-N	318.215	1.080	50	20	DDGD	
CN(C(=O)NC[C@@]1(C)C[C@H]1Br)C1CCOCC1	856751559	BGMRIYKEHDADGK-ZYHUDNBSSA-N	305.216	1.980	50	20	DDGD	
CCn1cc(C(=O)C(=O)NNc2cc(F)cc(OC)c2)cn1	759662098	GIWXUAZVUHYZRS-UHFFFAOYSA-N	306.297	1.377	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)CC[C@H](C)SC	854284136	XTWDSBVIWOMZRD-JTQLQIEISA-N	307.485	1.392	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cccc(Cn2cncn2)c1	858523223	OJPBHQJFDAXEFP-UHFFFAOYSA-N	301.350	1.134	50	20	DDGD	
Cc1cc(Br)ccc1C=NNC(=O)C(=O)NC1CC1	759195759	FIXBLQHBYLMCER-UHFFFAOYSA-N	324.178	1.486	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(CC#N)cc2)nc1	759734784	SEIANUQWHLYXES-UHFFFAOYSA-N	310.313	1.691	50	20	DDGD	
Cn1nc(/C=C(/C#N)S(=O)(=O)NC2CC2)c2ccccc21	853007643	YDJQKEJXSIUKKW-FLIBITNWSA-N	302.359	1.520	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)Nc2ccsc2)cc1	757656543	JVDHRSCKHAQTRV-UHFFFAOYSA-N	321.358	1.988	50	20	DDGD	
C[S@](=O)c1cccc(NC(=O)NNC(=O)c2cccnc2)c1	756523390	CVOXIOLPPQATIQ-QFIPXVFZSA-N	318.358	1.286	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)OC(C)(C)C)c(Cl)n1	929188948	IRYVUFOZUKVDLX-UHFFFAOYSA-N	301.730	1.913	50	20	DDGD	
CCn1cc(C(=O)C(=O)NNc2ccc(F)c(F)c2F)cn1	759658394	RUTPLTWXOWEMCR-UHFFFAOYSA-N	312.251	1.646	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H](C)N(CC)C(=O)OC(C)(C)C	858808527	IBBJDCNITKWEHZ-SNVBAGLBSA-N	316.402	1.372	50	20	DDGD	
CSCC[C@H](O)C(=O)NNc1ccc([N+](=O)[O-])cc1F	855622604	HVWKMPIHPAFCCS-JTQLQIEISA-N	303.315	1.291	50	20	DDGD	
C[C@@]1(CNC(=O)c2cn3cccnc3n2)C[C@H]1Br	857400369	UUFUQKYDAIMGSZ-SKDRFNHKSA-N	309.167	1.633	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1ccc(F)cc1Cl	755371376	QNUVLSCDDJTHMA-UHFFFAOYSA-N	309.688	1.736	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1cccc(C#N)c1	750936598	KSLPFZLSICQSDF-UHFFFAOYSA-N	310.313	1.421	50	20	DDGD	
CCn1nccc1[C@@H]1OCCC[C@H]1C=NNC(=O)[C@H]1CCOC1	853338109	CENNZZAISONTLC-KCQAQPDRSA-N	320.393	1.509	50	20	DDGD	
O=C(NNC(=O)c1ccc2nc[nH]c2n1)c1cccc(Cl)c1	754844811	FQIFMOMZDQCKAM-UHFFFAOYSA-N	315.720	1.686	50	20	DDGD	
CSSCCNC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21	854395018	YYVARMWOVSIZMU-HBNTYKKESA-N	302.465	1.809	50	20	DDGD	
CCO[C@H]1COCC[C@H]1NC(=O)NNc1ccc(Cl)cn1	852252803	LHZWYYUSFHXQHW-MNOVXSKESA-N	314.773	1.555	50	20	DDGD	
CCc1nc(C(C)C)ccc1C(=O)NNC(=O)c1cc[nH]n1	855356886	ZXUVDZZDBZDZIP-UHFFFAOYSA-N	301.350	1.565	50	20	DDGD	
CC[C@@H]1CC(=NNC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)CO1	853373612	HRRDOEPAXRMWLN-MGPQQGTHSA-N	320.393	1.559	50	20	DDGD	
CCC[C@@H](CNC(=O)NNC(=O)c1cccc(C#N)c1)OCC	858189193	MFFXBXPAHBMYML-AWEZNQCLSA-N	318.377	1.707	50	20	DDGD	
COCC(=NNC(=O)c1nn(C)c(=O)c2ccccc12)C1CC1	754259699	QIOXZFLPMYIYBY-UHFFFAOYSA-N	314.345	1.076	50	20	DDGD	
Cn1c(C=NNC(=O)c2cnccn2)nc2cc(Cl)ccc21	755632864	WKDKVDQHCWXIHT-UHFFFAOYSA-N	314.736	1.781	50	20	DDGD	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NN=C[C@@H]2C[C@@H]2C)cc1	758367596	NLNCLTNONUXKKE-STQMWFEESA-N	323.418	1.374	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NC[C@@]1(C)C[C@H]1Br)C(C)C	862259151	ZGSXCZDAYIPOEO-CKYFFXLPSA-N	305.216	1.437	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCCOC1CCOCC1	865014287	AAMONPBUPHSJGJ-UHFFFAOYSA-N	301.387	1.093	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1cn(-c2ccc(F)cc2)nn1	863122657	KYNGDSISWVMIRB-QMTHXVAHSA-N	317.324	1.282	50	20	DDGD	
CCCCCS(=O)(=O)CC(=O)NN[C@@H](C)C(F)(F)F	862312474	NAABVLYOBZXSTR-QMMMGPOBSA-N	304.334	1.163	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCN2C2CCCC2)c(O)c1	862468042	AIAMERMXVRBVKU-AWEZNQCLSA-N	317.389	1.479	50	20	DDGD	
Cc1cc(=NNC(=O)C2CN(C(=O)OC(C)(C)C)C2)cc[nH]1	862514524	PMMONMREXULFCC-UHFFFAOYSA-N	306.366	1.122	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(Cl)c(N)c1	863149955	JRYNGPOCGJKOHL-LBPRGKRZSA-N	308.769	1.431	50	20	DDGD	
CC(C)n1cnc(C(=O)NNCC(F)(F)C(F)(F)F)c1	863098562	NQTPONHOMCXKOW-UHFFFAOYSA-N	300.231	1.896	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc2c(c1)C[C@H](C)O2	933132907	LQOHAZZJUMZUBK-NSHDSACASA-N	301.346	1.966	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccccc1[S@](=O)C(F)(F)F	930731732	KQZYZSJTYZTPJP-NRFANRHFSA-N	323.296	1.278	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H]2CCc3cccnc32)c1	862479180	FWPOTHBAYCWLGT-LLVKDONJSA-N	301.371	1.943	50	20	DDGD	
CC(C)CS(=O)(=O)CCC(=O)NN[C@H](C)C(F)(F)F	862310024	QYMWJGDXJRXBKU-MRVPVSSYSA-N	304.334	1.019	50	20	DDGD	
CCOC(C)(C)C(=O)NNc1ncc(Br)cn1	869202947	PPSZIOLYXCZFNE-UHFFFAOYSA-N	303.160	1.497	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2cc(C)cc(C)c2)n(C)n1	866871762	TZCYMKCYMAJAPA-UHFFFAOYSA-N	302.334	1.580	50	20	DDGD	
Cc1ncc([C@H](C)NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)s1	868735834	KBOYBCFARIYNLA-NRPADANISA-N	312.395	1.268	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cn2ccc(C)cc2n1	769767724	UIXAXVLREUSNME-UHFFFAOYSA-N	323.447	1.115	50	20	DDGD	
C=C1c2ccccc2C(=O)N1CC(=O)NN[C@@H](C)C(F)(F)F	862306835	PNONMRSTKVWWLD-VIFPVBQESA-N	313.279	1.685	50	20	DDGD	
COc1ccc(NNC(=O)CCN2CCCC2=O)c([N+](=O)[O-])c1	768329515	XGXHSYDKTJMJIR-UHFFFAOYSA-N	322.321	1.059	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1c[nH]c(Br)c1	1116073724	QXOZHACVDBXDER-UHFFFAOYSA-N	300.156	1.728	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1C2CC3CC(C2)CC1C3	771900213	HBQOGXGBTFSABO-LHALRJPCSA-N	322.405	1.548	50	20	DDGD	
COCCN(C)NC(=O)Nc1nn(-c2ccccc2)cc1C	878651321	ZPMCGOUYFZSPAU-UHFFFAOYSA-N	303.366	1.795	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)C2)c1	776293162	WOLWNEAMBBYTFG-WDEREUQCSA-N	306.362	1.901	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	875546341	WZEYKRDJKZWTPI-AWEZNQCLSA-N	320.393	1.421	50	20	DDGD	
CCOCCC(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	772968964	IZYAPPYSSPZETJ-SNVBAGLBSA-N	314.769	1.681	50	20	DDGD	
Cc1nc(NC2CC2)sc1C(=O)NNC(=O)C1CCCC1	770992336	YXFCBTQNCOGCCF-UHFFFAOYSA-N	308.407	1.977	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2nccs2)nc1C	770710362	YFELFYWKUYQUGQ-UHFFFAOYSA-N	307.335	1.175	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCn2ncnc2C1	771625007	HZDSVKHNSMVILB-VIFPVBQESA-N	301.188	1.430	50	20	DDGD	
C[C@@H](CCO)C1(CNC(=O)NNC(=O)CC(C)(C)C)CCC1	776333564	KNZFRKGBIXKPJU-LBPRGKRZSA-N	313.442	1.942	50	20	DDGD	
O=C(Cn1cccc(C(F)(F)F)c1=O)NNc1ccccn1	777473530	NJHQQWVQVNHBKQ-UHFFFAOYSA-N	312.251	1.405	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H]1CCn2ccnc2C1	779212963	AWFISUZQIRZVMH-LBPRGKRZSA-N	321.812	1.680	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@H](C)c1cc(C)ccc1OC	774823664	LDKRRWNZDRVLAD-NEPJUHHUSA-N	307.394	1.600	50	20	DDGD	
CC(C)C(=O)NC[C@@H]1CCCN(S(=O)(=O)CCCCl)C1	881852685	BJQFSWHSSCXZSU-LBPRGKRZSA-N	324.874	1.429	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=O)CCc2ccccc2)c1C	1120597098	FXBNLAHHTFJYBU-UHFFFAOYSA-N	314.389	1.995	50	20	DDGD	
Cc1nc(C)c(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)o1	772170536	ROHJIYXBAPIRRI-VIFPVBQESA-N	311.338	1.030	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ncc(C)cc2C)cc1	779867682	MTBPTYXQXKEONK-UHFFFAOYSA-N	313.357	1.847	50	20	DDGD	
O=S(=O)(CCCCl)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1	882005926	IJJFUGGUTFWQFF-GXTWGEPZSA-N	320.886	1.894	50	20	DDGD	
O=C(/C=C/CN1CCOCC1)NNc1ccc(Cl)cc1F	885106935	NLKYTBQORKAQNT-OWOJBTEDSA-N	313.760	1.811	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@]1(C)CCCO	776598570	QZQMAJUYKRJRSA-XJKSGUPXSA-N	313.442	1.195	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(F)c1	880318260	CRVCBGYXTJIACV-WCBMZHEXSA-N	311.313	1.412	50	20	DDGD	
C=C/C=C/CCNC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	883724721	CJUNVJXDEXHPOA-VOTSOKGWSA-N	324.425	1.392	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1CN(C)C[C@@H]1c1ccccc1	887150433	KTRFIPFKXNMWKB-CVEARBPZSA-N	313.401	1.283	50	20	DDGD	
Cc1nc(C2CCN(CC(=O)NNC(=O)C(C)C)CC2)[nH]c1C	886660574	AHUORRDFOAOSOS-UHFFFAOYSA-N	321.425	1.009	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@](O)(CC)c1ccccc1	887150790	XHHTVEDUKCIGHF-QGZVFWFLSA-N	302.374	1.625	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@H](C[C@@H]1CCCO1)C(=O)OCC	887273859	CNJZWARNGKAGJR-SENBOFQLSA-N	310.350	1.047	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCC1CCN(CC(F)(F)F)CC1	780630454	GNTSERAWTWDIBS-UHFFFAOYSA-N	324.347	1.247	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)c1ccc(C#N)cc1)c1ccsc1	788401005	NHZFFGZOKLMVRT-ZDUSSCGKSA-N	315.354	1.768	50	20	DDGD	
CC(C)C(=O)N1CCCC[C@@H]1C(=O)NNc1ccc(C#N)cn1	899664419	VNWNRUQASQCWAG-CYBMUJFWSA-N	315.377	1.433	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cccn2C)c(-c2ccoc2)n1	789880835	WJEMQKHCAKSBKC-UHFFFAOYSA-N	313.317	1.093	50	20	DDGD	
O=C(COCc1ccccc1)NNc1ccc(-n2ccnc2)nn1	788179298	YHDPDLHZGZYAAV-UHFFFAOYSA-N	324.344	1.322	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1c[nH]c(C)cc1=O	780729877	GMEBGRATEUJNIO-UHFFFAOYSA-N	301.302	1.227	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc2nc(C)ccc2c1	783525303	XKSUWWVHFJOHLF-UHFFFAOYSA-N	300.318	1.349	50	20	DDGD	
C[C@H]1CCCN1CCNC(=O)NNC(=O)Cc1ccccc1F	897481152	AQYDCUWHZFEMPZ-LBPRGKRZSA-N	322.384	1.183	50	20	DDGD	
C[C@H]1COC(=O)C1=NNC(=O)c1ccc(Br)s1	794881393	JRGBENRRLYQHLE-YFKPBYRVSA-N	317.164	1.789	50	20	DDGD	
CSSCCNC(=O)N1CCC(CC(=O)N(C)C)CC1	790879041	MNMIZRIGHPRLJA-UHFFFAOYSA-N	319.496	1.898	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cnn(C)c2)c(C)cc1Cl	793527161	PRYNGYXTIVHXCI-UHFFFAOYSA-N	306.753	1.765	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2cccc(C)n2)s1	794079837	CTYIEEGGZPQWIT-UHFFFAOYSA-N	319.342	1.313	50	20	DDGD	
C[C@H]1COC(=O)C1=NNC(=O)CCSc1ccc(F)cc1	794876920	ABUWMDGLAVWRSB-VIFPVBQESA-N	310.350	1.973	50	20	DDGD	
CN(C)CC(=O)NN=Cc1ccc(N(C)C)cc1C(F)(F)F	794506860	UIEQUUMYFVREPX-UHFFFAOYSA-N	316.327	1.783	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CC(c3cccnc3)=NO2)nc1	790949231	LTVZLSYVPZKEHL-ZDUSSCGKSA-N	313.317	1.122	50	20	DDGD	
C=C(CBr)COC(=O)c1c(C)nn(C)c1OC	795510315	QHXASGDNWHRYFS-UHFFFAOYSA-N	303.156	1.845	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1ncc(Cl)n1C	799468995	UFRCKITXQMPPCJ-UHFFFAOYSA-N	322.752	1.611	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1ccc(-n2nccn2)nc1	792241282	IJCYLOWRKKZWMR-UHFFFAOYSA-N	310.321	1.514	50	20	DDGD	
COc1ccc([C@@H]2C[C@H]2NS(=O)(=O)CBr)cc1	795282570	ULLSHWBNVPGFBW-WDEREUQCSA-N	320.208	1.823	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CN1[C@H](C)CC[C@H]1C	792797594	IAQCESZJTWCTGO-CHWSQXEVSA-N	319.405	1.258	50	20	DDGD	
Nc1cnnc(NNC(=O)Cc2cccc(F)c2F)c1Cl	1319778083	VUYHXBZUFQNBQD-UHFFFAOYSA-N	313.695	1.676	50	20	DDGD	
O=C(CCl)N1CCN(C(=O)COc2ccc(F)cc2)CC1	1319674584	QDZPXGQYZKLIJE-UHFFFAOYSA-N	314.744	1.114	50	20	DDGD	
CNc1ccc([N+](=O)[O-])cc1C(=O)NNc1cc(C)ncn1	1318502318	QHVUSNVTYDPUDP-UHFFFAOYSA-N	302.294	1.492	50	20	DDGD	
CN(C)c1nccc(NNC(=O)C2(c3cccc(C#N)c3)CC2)n1	1324169325	WEYQQHHJEUGGRU-UHFFFAOYSA-N	322.372	1.589	50	20	DDGD	
CN(C[C@H]1C[C@@H](O)C1)S(=O)(=O)c1ccc(CCl)cc1	703736401	OIWDMBNQCLSNKB-TXEJJXNPSA-N	303.811	1.817	50	20	DDGD	
C[C@@H](NC(=O)NN(C)c1ccccc1)C(=O)NCC(F)(F)F	1321175993	RQISCLCMMHYWBP-SECBINFHSA-N	318.299	1.404	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H]2CCCC[C@H]2N(C)C)nc1	1255372447	SUPYNCQDCPJVRV-QWHCGFSZSA-N	307.398	1.589	50	20	DDGD	
CC1(C)C[C@H](C(=O)NNC(=O)CCOc2ccccc2)CCO1	1337095965	AYFYUJAEIFJLKD-CYBMUJFWSA-N	320.389	1.808	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cnc(C(C)C)[nH]1	1252074234	ONYJFMJWTLJYQK-UHFFFAOYSA-N	316.361	1.545	50	20	DDGD	
O=C(NC[C@H]1CCCN1CC(F)(F)F)NNc1ccccn1	1341983511	MTKMYXCVCZSYLK-SNVBAGLBSA-N	317.315	1.734	50	20	DDGD	
Cc1cc(C=NNC(=O)COc2ccc(Cl)cc2)ncn1	1347600836	TVBOPMDIILSTID-UHFFFAOYSA-N	304.737	1.968	50	20	DDGD	
CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2cccc(CCl)c2)O1	1358101196	NYEZJIHXYBUKCL-UONOGXRCSA-N	324.808	1.791	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCc1c[nH]c2ccc(C)cc12	1521280423	YEXWVOMEXNATAN-UHFFFAOYSA-N	304.350	1.931	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C2CCC2)c([N+](=O)[O-])c1	1520129947	XHJTWAALNXCYIF-UHFFFAOYSA-N	308.294	1.556	50	20	DDGD	
O=C(O)c1coc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)c1	1602554040	UAGXQIWRHOUZFH-UHFFFAOYSA-N	303.230	1.650	50	20	DDGD	
Cc1nocc1NC(=O)NNc1cccc(-c2nn[nH]n2)c1	1606137398	KLTBIGKYRRCASB-UHFFFAOYSA-N	300.282	1.312	50	20	DDGD	
Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)nn1	1600364766	HNDJQIAAKBNPCU-UHFFFAOYSA-N	303.230	1.611	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1cccc(N)c1	1549319606	IDKQTUUELVMMIA-GOEBONIOSA-N	316.405	1.362	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1ccc(F)cc1	1549314626	JHRDWQNIWKETQE-HUUCEWRRSA-N	305.353	1.529	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@@H]1C=NNC(=O)c1cccn1C	1552757502	FQFXGVGVZWVWDD-OCCSQVGLSA-N	315.377	1.735	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CC(F)(F)CN)c1C	1578878250	SNTJXNBGKWPHFF-UHFFFAOYSA-N	301.293	1.209	50	20	DDGD	
CC(C)OC[C@H](N)C(=O)NNc1cccc(C(F)(F)F)c1	1575791082	QCMSUGMXNHCDTP-NSHDSACASA-N	305.300	1.901	50	20	DDGD	
CO[C@@H]1CN[C@@](C)(C(=O)NNc2ccc(Cl)cc2F)C1	1578949183	SHMNYHFWKUAZLH-TVQRCGJNSA-N	301.749	1.689	50	20	DDGD	
COC(=O)CC[C@@H](N)C(=O)NNc1nc2ccccc2cc1C	1578809633	FIJQHXZKQZIIJM-GFCCVEGCSA-N	316.361	1.267	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@@H]2NCCc3ccccc32)cn1	1579959246	PKIGQMJLBMDBOU-KCPLEYNQSA-N	321.384	1.330	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)[C@@H]1NCC[C@H]2CCCC[C@@H]21	1580505597	HASZLZQGDQLOSN-IJEWVQPXSA-N	307.438	1.882	50	20	DDGD	
O=C(C(Cl)Cl)N1CC2(CCCN2C(=O)c2ccco2)C1	1842369226	COWKELMBLKTFGZ-UHFFFAOYSA-N	317.172	1.900	50	20	DDGD	
CC[C@@](COC)(NC[C@H](CBr)C1CC1)C(=O)O	1595194958	MQWRGJKMEFRCBQ-JQWIXIFHSA-N	308.216	1.877	50	20	DDGD	
CN1CCCC[C@H](C(=O)NNc2cccc(C(=O)O)c2F)C1=O	1598598259	LWHRFKFKGVYMBG-SNVBAGLBSA-N	323.324	1.226	50	20	DDGD	
COc1cc(C(=O)NNc2ccc(C(=O)O)c(Cl)c2)on1	1599355506	XXEWRUBMNGBOGL-UHFFFAOYSA-N	311.681	1.792	50	20	DDGD	
CN1CCCC[C@@H]1CCC(=O)NNc1ncccc1C(=O)O	1593780142	NTUVFDNAFXDKCS-LLVKDONJSA-N	306.366	1.487	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)C2(C(=O)O)CC2)cc1C	1591176443	OGDZDTOYOVGERE-UHFFFAOYSA-N	306.318	1.480	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)c1ccc(C(=O)O)nc1	1594782283	VYOWUSHJCWIFPP-UHFFFAOYSA-N	309.285	1.480	50	20	DDGD	
CCOc1cc(C(=O)NNc2ccc(F)c(C(=O)O)c2)on1	1597005813	INILMRPOPTXWKV-UHFFFAOYSA-N	309.253	1.668	50	20	DDGD	
Cc1nsc(C=NNC(=O)c2ccc(Cl)nc2)c1C(=O)O	1776036022	WJZIOTJKAJPBEW-UHFFFAOYSA-N	324.749	1.962	50	20	DDGD	
COc1ccc(C=NNC(=O)c2cccc(C(=O)O)c2)cc1O	1776094839	OEGWSBAXDVCYMN-UHFFFAOYSA-N	314.297	1.863	50	20	DDGD	
COc1cc(C(=O)O)ccc1C=NNC(=O)c1cnsn1	1776105066	NHHROBQJDPSKCB-UHFFFAOYSA-N	306.303	1.009	50	20	DDGD	
CC(C)C(=O)N1CCO[C@@]2(CCN(C(=O)C(Cl)Cl)C2)C1	1783947668	XKKJIDFWDYHLLK-CYBMUJFWSA-N	323.220	1.276	50	20	DDGD	
CC(C)n1ncc2cc(C(=O)NNC(=O)c3ccccn3)cnc21	11763418	NSTJNRRSRFDBGK-UHFFFAOYSA-N	324.344	1.482	50	20	DDGD	
O=C1NCCC[C@@H]1C(=O)NNc1ccccc1C(F)(F)F	206695176	CROXCGQJSPKIAQ-QMMMGPOBSA-N	301.268	1.675	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccc(Cl)c(F)c1	152494786	FKAUZUCMFLCEJX-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
O=C(COc1ccccc1)NCC(=O)NNc1ccccc1F	153083562	ODZXCPCGJNJOQZ-UHFFFAOYSA-N	317.320	1.464	50	20	DDGD	
COc1ccc(NNC(=O)NCc2ccccc2OC)nc1	153307318	OEJUGNYKEYLSNS-UHFFFAOYSA-N	302.334	1.925	50	20	DDGD	
O=C(NNc1nccc(N2CCOCC2)n1)c1ccc(F)cc1	155545641	LAKOPWFPMWXYRU-UHFFFAOYSA-N	317.324	1.209	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CNC(=O)c2cccs2)c1	157237446	JYASOXCRWLGWMM-UHFFFAOYSA-N	323.349	1.769	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(CC#N)C2CCCC2)cc1	156740260	RGMSYVMOZYUUDV-UHFFFAOYSA-N	314.389	1.524	50	20	DDGD	
O=S(=O)(NCC1OCCCO1)c1ccc(CCCl)cc1	716340890	IRAYRCVHASDFRH-UHFFFAOYSA-N	319.810	1.509	50	20	DDGD	
CC1(C)CN(S(=O)(=O)c2ccc(CCl)cc2)C[C@@H]1O	388111064	ZDAWTGARRUPOLI-LBPRGKRZSA-N	303.811	1.817	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1n[nH]c2c1CCCC2	9895918	HXRNPWKSZHJCGH-UHFFFAOYSA-N	312.373	1.682	50	20	DDGD	
O=C(NC[C@@H](O)c1ccccc1F)NNC(=O)c1ccccc1	59313855	NJJOPODXAKHWDK-CQSZACIVSA-N	317.320	1.503	50	20	DDGD	
Cn1c(NNC(=O)c2cc(Cl)c[nH]2)nc2ccccc2c1=O	113188115	WNLGMVNVWVXWPB-UHFFFAOYSA-N	317.736	1.672	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCCN(C)C(C)C	102061537	LULMGJZBJPVSIM-UHFFFAOYSA-N	307.398	1.671	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2cccc([N+](=O)[O-])c2)n1	174471285	ZCNZNTOGPIKXJX-UHFFFAOYSA-N	317.305	1.388	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNC(=O)NCc1ccc(Cl)cc1	172000609	FHCMYZDVXFQQEB-PKNBQFBNSA-N	322.752	1.614	50	20	DDGD	
CCNC(=O)NNC(=O)c1csc(Cc2ccccc2F)n1	117768284	DAKFODYGNJBGJT-UHFFFAOYSA-N	322.365	1.837	50	20	DDGD	
CS(=O)(=O)CC1(CC(=O)NNc2ccc(F)cc2F)CC1	177406609	ICMKYDLZEDIAQS-UHFFFAOYSA-N	318.345	1.623	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCCCNC(N)=O)c1ccccc1	110964419	WRUHRTVEPCBOON-CYBMUJFWSA-N	320.393	1.166	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCOC[C@@H]1CC(=O)c1ccco1	179038620	NFJDXVWPDBMIJD-XSNHNAGMSA-N	318.329	1.524	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CNC(=O)c2cccs2)s1	63113461	HOTKFARFDDKAFA-UHFFFAOYSA-N	323.399	1.309	50	20	DDGD	
CCc1cnc(CNC(=O)NNC(=O)Cc2cccnc2)s1	176392158	FELVQYAGCNNKHI-UHFFFAOYSA-N	319.390	1.174	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H](C)Oc2ccccc2)nn1	113976292	NHHPXNHDYBZFNL-GFCCVEGCSA-N	301.350	1.879	50	20	DDGD	
O=C(NCC1CC1)C(=O)NNc1ccc(Cl)cc1Cl	64385388	MPIWUDKQKDLWRF-UHFFFAOYSA-N	302.161	1.963	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCc1cccc(OC)c1OC	68266546	GFNBHWDWEPGBNY-UHFFFAOYSA-N	323.393	1.767	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cc(C)nn1C)c1ccccc1	110343796	ULOAGDQZAAXVIB-CYBMUJFWSA-N	300.362	1.683	50	20	DDGD	
CC(=O)N[C@@H](CC(=O)NNC(=O)NCC1CC1)c1cccs1	65192679	SLTPGLVHFACKRE-NSHDSACASA-N	324.406	1.056	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NCC(F)(F)F)cc1	60411696	CREPHQYYVGBSEG-UHFFFAOYSA-N	319.283	1.521	50	20	DDGD	
C[C@H]1Oc2ccccc2N(CC(=O)NNc2ccccc2)C1=O	125560015	YWOQWTGNBQLTIX-GFCCVEGCSA-N	311.341	1.944	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1cc(-n2cnnn2)ccc1F	179834799	YCWQGEIBBOCJGF-UHFFFAOYSA-N	321.316	1.000	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc(F)cc2C)nn1	123648857	BVMLAIUUARVUMV-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2oc1=O)NC1CCCC1	65920990	AKBISXCXGPYZAT-UHFFFAOYSA-N	315.329	1.680	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)Nc2cnn(CC3CC3)c2)cc1	186290751	OODHVTYBDGTZKH-UHFFFAOYSA-N	324.344	1.247	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)c1ccccc1	186067300	XMWBXRYNEKTMSO-UHFFFAOYSA-N	320.370	1.856	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2sccc2C#N)c1	127986219	KTPWKLVRBSCLRU-UHFFFAOYSA-N	314.370	1.761	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)Cc2cc[nH]n2)cc1	186380797	PAJSRERUOMLSFI-UHFFFAOYSA-N	303.322	1.204	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)n1)c1ccc([N+](=O)[O-])cc1	123801476	IFHVVWOGLBZJRI-UHFFFAOYSA-N	320.692	1.718	50	20	DDGD	
Cc1c(C(=O)NNC(=O)N(C)C)csc1Br	184289925	OIDCMJVFUDOIOA-UHFFFAOYSA-N	306.185	1.735	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccc2c(c1)CCC(=O)N2C	186854095	NLOOBKOGZFTODM-UVTDQMKNSA-N	314.341	1.692	50	20	DDGD	
C[C@H](NC(=O)CC(C)(C)C)C(=O)NNC(=O)c1ccccc1	187291657	GCJVWUYVTXDEGO-NSHDSACASA-N	305.378	1.389	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	184003808	YINMSHAVJMJCJS-HTQZYQBOSA-N	301.268	1.510	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccnn1-c1ccccc1C	183772723	UJJHUPPMOWHVCH-UHFFFAOYSA-N	317.349	1.370	50	20	DDGD	
CCOc1cnc(C(=O)NNC(=O)CCc2ccccc2)cn1	187345209	RVMQLHQBDOTDQH-UHFFFAOYSA-N	314.345	1.269	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)o1	127448481	BBBLMSMYXOQHTB-MWLCHTKSSA-N	306.366	1.157	50	20	DDGD	
O=C(NNC(=O)c1ccc2ccccc2n1)Nc1cccnn1	186550775	QJEFOAAXZOCFMQ-UHFFFAOYSA-N	308.301	1.491	50	20	DDGD	
C[C@H](NC(=O)c1ccoc1)C(=O)NNc1ccc([N+](=O)[O-])cc1	134139845	WXINMGDZBKDYPA-VIFPVBQESA-N	318.289	1.449	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1cc(C#N)ccc1Cl	184496964	QHUDPEMPGICGKZ-UHFFFAOYSA-N	322.752	1.344	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)Cc1cn2ccccc2n1	131472487	NOUYADSXMYCVGB-NSHDSACASA-N	306.391	1.166	50	20	DDGD	
CN(C)c1ccc(C(=O)NNc2ccccc2[N+](=O)[O-])cn1	46305526	NUBJQFKSKMFDAG-UHFFFAOYSA-N	301.306	1.813	50	20	DDGD	
NNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1	193156224	JUFFQUGMUHYOJC-JTQLQIEISA-N	302.161	1.588	50	20	DDGD	
CCOCc1cc(/C=C(\C#N)S(=O)(=O)N(C)C)ccc1OC	195322290	WWGQMSKSWGGQNY-NTEUORMPSA-N	324.402	1.988	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C1CCC(O)CC1	194018358	YPDAMWOFJNGBQV-UNXYVOJBSA-N	324.352	1.292	50	20	DDGD	
Cc1[nH]c2c(C(=O)NNC(=O)C(=O)NC(C)C)cccc2c1C	45485221	JVVWMWAPQPWXJA-UHFFFAOYSA-N	316.361	1.070	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1cc(C(F)(F)F)ccc1F	131718763	QBVNUMRZNZNKBC-UHFFFAOYSA-N	300.233	1.174	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)C[C@@H]2CCCOC2)n1	192934432	RZHRQCOUBJALCD-LBPRGKRZSA-N	307.398	1.583	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NNC(=O)C2CC2)c1C	95947614	YAFXDGUZVGJLQW-DHDCSXOGSA-N	314.389	1.979	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc2c(c1)OCC(=O)N2	264006903	DCQLALXBABBOCJ-UHFFFAOYSA-N	305.334	1.215	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N(C)CCn1cccn1	264757343	SFIBQIDCALPNEU-UHFFFAOYSA-N	301.350	1.178	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1nnn(C)c1C)c1ccccc1	265849388	AFEIINQWIOAGPC-GFCCVEGCSA-N	301.350	1.078	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCCc2ccccc2)nc(O)n1	268836958	LYYJDQKIZDITLV-UHFFFAOYSA-N	314.345	1.275	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1cccc(-n2cncn2)c1	265465443	ZJLFKGWLRHWTGB-UHFFFAOYSA-N	316.365	1.144	50	20	DDGD	
CSc1ccsc1C(=O)NNC(=O)Cn1nc(C)cc1C	264371687	HNRGLNFQEWEMRD-UHFFFAOYSA-N	324.431	1.745	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NC[C@@H](C)SC	269837601	ZPJMVQUAVJFUKA-SNVBAGLBSA-N	311.407	1.320	50	20	DDGD	
CN(CCCNC(=O)NNc1cccnn1)C(=O)OC(C)(C)C	265473529	LVMAZRLJFLQRSG-UHFFFAOYSA-N	324.385	1.360	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)C(C)(C)c2ccccc2)CCO1	271978198	OCDMWHUXWQZXCH-STQMWFEESA-N	304.390	1.927	50	20	DDGD	
O=C(CCOCC(F)(F)C(F)F)NNC(=O)c1cccnc1	276681208	KZYIBFKJIZSIHI-UHFFFAOYSA-N	323.246	1.150	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(SC)c1	274106169	YFKTZCRVYDHRAO-SECBINFHSA-N	309.391	1.541	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1	273707536	PBRNWHCRVVBDEY-UHFFFAOYSA-N	311.294	1.578	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@@H]1CCc2nccn2C1	364955749	QYOSGIJVZXLOOX-SNVBAGLBSA-N	301.306	1.497	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@H]1CCn2ccnc2C1	365681985	UMPCXKMJQXOHTM-VIFPVBQESA-N	319.296	1.636	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)nc1	275834899	BOZZONIFQTYHPG-DGCLKSJQSA-N	308.382	1.920	50	20	DDGD	
CCCCn1nccc1NC(=O)C(=O)NN(C)c1ccccc1	275734628	VHGQELMUESRCOO-UHFFFAOYSA-N	315.377	1.789	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@H]1CC12CCOCC2	365651317	VOCAAWJNNPYXGF-SECBINFHSA-N	309.297	1.994	50	20	DDGD	
O=[N+]([O-])c1cccc(CCNS(=O)(=O)CBr)c1	272832788	RHEQOYFYHRETHT-UHFFFAOYSA-N	323.168	1.409	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C[C@H]2CCC(=O)[C@@H]2C)c1	279612958	JKIIRLXQCHXNFU-CHWSQXEVSA-N	318.373	1.527	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1CCCc2sccc21	368203135	SQWGUIAJLJTBRQ-NSHDSACASA-N	304.375	1.281	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCc1nnc(C2CCCC2)o1	272644746	FFQRKAVZKLBOSZ-UHFFFAOYSA-N	309.370	1.352	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C[C@H](C)SC)nc1C	272157576	HERUYRSKLYLYFS-QMMMGPOBSA-N	312.395	1.546	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)c2ccc3ccccc3n2)CCO1	271836924	AGAMUJRQKWDWNU-YPMHNXCESA-N	313.357	1.811	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@](C)(C#N)CC)nc1C	285844728	PNVVSDOAOFSXME-CQSZACIVSA-N	305.338	1.345	50	20	DDGD	
O=C(NNC(=O)c1ccncc1C(F)(F)F)NC1CCCC1	285135654	NRIQFKQPOGMVLV-UHFFFAOYSA-N	316.283	1.987	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NC[C@H](CO)[C@@H]1CCOC1	281703088	HGBXLAPIHKLJEM-SVKPKARSSA-N	318.348	1.494	50	20	DDGD	
COCCN(C)NC(=O)[C@@H](NC(=O)c1cccc(C)c1)C(C)C	288377382	IKLLQFKQPQJMQD-HNNXBMFYSA-N	321.421	1.359	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)C(=O)N2CCC[C@H](C)C2)n1	283010857	RYNCUPHJOBGREN-QMMMGPOBSA-N	311.773	1.140	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Nc1ccncc1C	284771659	UPORCILCLRJSRA-UHFFFAOYSA-N	310.354	1.332	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H](C)[C@H]2CCCCO2)n1	280216486	IQHIVKCVBMFBKA-WCQYABFASA-N	306.366	1.292	50	20	DDGD	
Cn1ncc2c1C[C@H](C(=O)NNc1c(F)cccc1F)CC2	282691915	JTTSXZGAXHXYAQ-SECBINFHSA-N	306.316	1.947	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCC1(SC)CC1	280077395	RAYZTJFHPMPWNQ-UHFFFAOYSA-N	323.418	1.464	50	20	DDGD	
CSSCCNC(=O)c1ccc(CS(N)(=O)=O)cc1	285589294	DZXLMQCQOOJGIX-UHFFFAOYSA-N	320.461	1.216	50	20	DDGD	
COCCN(C)NC(=O)c1cc2c(C(C)C)nn(C)c2s1	288554174	PRHFEAXQNRKLKU-UHFFFAOYSA-N	310.423	1.981	50	20	DDGD	
Cc1ccc([C@H](C)NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	297481503	VMWFNFAEQVGJKQ-OBJOEFQTSA-N	305.378	1.954	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H](C)COc1cccc(F)c1	299006136	BFMMTUYFMWCIIM-NSHDSACASA-N	311.357	1.970	50	20	DDGD	
C#Cc1cncc(C(=O)NNc2nc(O)c3ccccc3n2)c1	807048786	LBYBANKWTZSXPT-UHFFFAOYSA-N	305.297	1.469	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)Cn1c(=O)cnc2ccccc21	808247925	WCTMRXACIPMHEA-UHFFFAOYSA-N	314.172	1.659	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1	294073329	HGRDHWYZQKLZKY-ZDUSSCGKSA-N	323.299	1.405	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H](F)c1ccccc1	807371362	HJDJDDOXWMCWHD-GFCCVEGCSA-N	312.341	1.634	50	20	DDGD	
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccc[nH]1	292587861	ZZENOKIIEXXDFJ-LLVKDONJSA-N	324.381	1.325	50	20	DDGD	
CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NNc1ccncn1	295575864	WAYBMCGJQJGAOZ-LLMHMKPQSA-N	321.406	1.178	50	20	DDGD	
CCC[C@H](C)C(=O)NCCNC(=O)NN(C)c1ccccc1	292820683	OVYRGRPUFOUBKS-ZDUSSCGKSA-N	306.410	1.889	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)N[C@@H]1CC1(C)C	299104400	YXHOEDUPZYWNSG-GFCCVEGCSA-N	307.350	1.203	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@H]2CCCC23OCCO3)c1	807183820	TZUAHZCDGKLTKB-SNVBAGLBSA-N	322.752	1.593	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)NCc2coc3ccccc23)O1	297126297	GRMWEQTUMMTSNH-HZMBPMFUSA-N	317.345	1.831	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)N2CCOCC2)cc1	299392839	RWFNMORMCAHEFR-UHFFFAOYSA-N	321.377	1.552	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)Cc2cc[nH]n2)[C@@H](n2cncn2)C1	814953675	LVSDUWBRZHZEAO-GWCFXTLKSA-N	301.354	1.077	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)c2ccc3ccccc3n2)cn1	814682189	HZERYPWAXMEDRT-UHFFFAOYSA-N	320.356	1.855	50	20	DDGD	
C=C[C@@H](O)C(=O)NNC(=O)CSc1ccc(Cl)cc1	816804620	BSWFFYAPQYHUCX-SNVBAGLBSA-N	300.767	1.126	50	20	DDGD	
CCc1nnc(CNC(=O)NNC(=O)c2ccccc2)s1	811853701	JZCMWHJFKRSYOY-UHFFFAOYSA-N	305.363	1.245	50	20	DDGD	
COC(=O)c1csc(C(C)=NNC(=O)Cc2cc[nH]n2)c1	814955277	ZFZLKDOJSCTVDV-UHFFFAOYSA-N	306.347	1.341	50	20	DDGD	
Cn1nncc1NNC(=O)c1cc(Br)ccc1F	816771484	OROOXDDGSWKJIE-UHFFFAOYSA-N	314.118	1.474	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CC[C@H](C(=O)O)[C@@H](C)C1	814854500	KVFLFRTWUVXBTF-CABZTGNLSA-N	311.382	1.284	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NC[C@H]1CNCCCO1	817994121	VTWRPYKJECNEGG-NXEZZACHSA-N	307.232	1.291	50	20	DDGD	
Cc1c(C)c(O)c(C=NNC(=O)N=c2cc[nH]cc2)c(C)c1O	815002937	XLWXWXAQPONAOG-UHFFFAOYSA-N	314.345	1.996	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1cccc(-n2cnnc2)c1	814788523	YSPAIVUHQBYWDQ-UHFFFAOYSA-N	323.360	1.382	50	20	DDGD	
CSSCCNC(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F	822783567	KOISLEXASZWNJO-RNFRBKRXSA-N	316.370	1.428	50	20	DDGD	
Cc1nc2ccccc2nc1SCC(=O)NNC(=O)C(C)C	829000775	HXUJVRBZGYULKP-UHFFFAOYSA-N	318.402	1.834	50	20	DDGD	
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccccn1	495383040	XLJSNZCINAXTND-SNVBAGLBSA-N	322.365	1.146	50	20	DDGD	
CCCCNC(=O)NNC(=O)C[C@H]1COc2ccccc2O1	822777769	RDSFKLHLLTTZGX-NSHDSACASA-N	307.350	1.347	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2ccc(-c3nn[nH]n3)cc2)c1	826387079	FWJQDZQMCOBQBG-UHFFFAOYSA-N	305.301	1.495	50	20	DDGD	
COc1ccc(CC(=O)NNC(=S)NCC2CCC2)c(C)c1	824437189	MKPQZUFFFJNYIR-UHFFFAOYSA-N	321.446	1.842	50	20	DDGD	
Cc1cc(NNC(=O)C2(Cc3ccc(F)cc3)CC2)nc(N)n1	828371640	MLUJWCNYCOWASJ-UHFFFAOYSA-N	315.352	1.972	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1c(F)cccc1-n1cccn1	827216237	OCUDKLVPTUWTMW-UHFFFAOYSA-N	302.309	1.573	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CCCC1	826446496	NWDIAWDUMNUVSI-UHFFFAOYSA-N	307.745	1.652	50	20	DDGD	
CN(C)C(=O)[C@@H]1CCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)C1	491044233	BQZAOJMODWPXCC-OZYJXZHSSA-N	315.348	1.669	50	20	DDGD	
COc1cc(CCC(=O)NNC(=O)c2ccccc2OC)on1	827011774	OMEXOSCAOALFRP-UHFFFAOYSA-N	319.317	1.086	50	20	DDGD	
Cn1ncc(C2CC2)c1C(=O)NNC(=O)c1ccc(Cl)nc1	822411634	OYVRCGYZDVWICL-UHFFFAOYSA-N	319.752	1.421	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)CC(F)(F)F	826969338	ZRFZHKPNRONSES-DJLDLDEBSA-N	311.304	1.330	50	20	DDGD	
CCCCCCCC(C)=NNC(=O)[C@@H](C)NS(C)(=O)=O	728434842	QXDXYHPNCWIWCF-GFCCVEGCSA-N	305.444	1.777	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCn3ncnc3C2)cc1	490911637	VLPLERRNTOHEML-NTEUORMPSA-N	323.356	1.626	50	20	DDGD	
CCO[C@H]1C[C@@H](N(C)CC(=O)NNC(=O)C(C)C)C12CCC2	828058771	FDJOARXJDGPDPC-OLZOCXBDSA-N	311.426	1.069	50	20	DDGD	
CC(C)c1nnc(CNC(=O)[C@]2(C)C[C@H]2Br)n1C	907240872	QCYPFSYGTWIPRY-PRHODGIISA-N	315.215	1.728	50	20	DDGD	
C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)c2cccc(B(O)O)c2)o1	584927061	LEDDZXDANGUWHM-IAQYHMDHSA-N	313.162	1.355	50	20	DDGD	
C=C(CI)n1cc(CC[C@H](C)O)nn1	900641457	UYJJFYIVORITND-QMMMGPOBSA-N	307.135	1.497	50	20	DDGD	
CCN(CCC(F)(F)F)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	827306558	IMIWHBOUDANOMQ-RKDXNWHRSA-N	311.304	1.427	50	20	DDGD	
CC(=O)c1cc(F)cc(F)c1OCC(=O)NNC(=O)C(C)C	829152684	SEYHUDQDDZVDJM-UHFFFAOYSA-N	314.288	1.350	50	20	DDGD	
CC(C)OC(=O)[C@H](C)CNC(=O)NNC(=O)OC(C)(C)C	491879390	WZOZRXUISMFRIO-SECBINFHSA-N	303.359	1.313	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccnc(Cl)c1Cl	900386540	ZVMOFFPRYCHBNG-UHFFFAOYSA-N	303.149	1.742	50	20	DDGD	
CCCNC(=O)NNC(=O)Cc1ccccc1O[C@H]1CCOC1	825437813	KTNUBWVKUGBRHH-ZDUSSCGKSA-N	321.377	1.137	50	20	DDGD	
Cn1c(C(=O)NNc2nccnc2C2CCC2)cnc1Cl	822927456	MOHQBXJPTDELMG-UHFFFAOYSA-N	306.757	1.888	50	20	DDGD	
Cc1ccc(CNCc2ccc(B(O)O)o2)c(OCC(C)C)c1	585028878	RZBNEVTZVNSXDH-UHFFFAOYSA-N	317.194	1.592	50	20	DDGD	
CCCCN(C)C[C@H](C)NC(=O)/C(C#N)=C\c1cnn(C)c1	491051768	UBYJZLQZVDKIRZ-PBTLCFMXSA-N	303.410	1.564	50	20	DDGD	
CC(C)[C@]1(C)C[C@@H]1C(=O)NNC(=O)CNC(=O)OC(C)(C)C	495508083	BMYBDDZGEAQEDR-BMIGLBTASA-N	313.398	1.341	50	20	DDGD	
CC[C@@H](C)c1csc(N(C)C(=O)c2ccc(B(O)O)cc2)n1	584944211	PWOBTILSOFAJPP-SNVBAGLBSA-N	318.207	1.613	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc2c(c1)C[C@H](C)O2	901194803	OWZHBTGPYKZJGG-NWDGAFQWSA-N	306.362	1.512	50	20	DDGD	
N#CC[C@H](CC(=O)NNC(=O)[C@H]1CCCCO1)c1ccccc1	833236323	QQYPVBTYROWUBW-HUUCEWRRSA-N	315.373	1.790	50	20	DDGD	
CCn1cnnc1CCNC(=O)[C@@]1(C)C[C@@H]1Br	906615514	REVUVSKDYRRRFK-KWQFWETISA-N	301.188	1.130	50	20	DDGD	
CCc1nsc(N2CCCN(S(=O)(=O)CCl)CC2)n1	830755143	YTHNLXQYBXAASV-UHFFFAOYSA-N	324.859	1.139	50	20	DDGD	
Cc1cccc(C)c1OCCC(=O)NNC(=O)[C@@H]1CCCCO1	833779729	XZADQCWLHMYARZ-AWEZNQCLSA-N	320.389	1.789	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	838748490	JECUXDNHJOUHCE-KLPPZKSPSA-N	322.321	1.106	50	20	DDGD	
OB(O)c1ccc(CNC[C@H]2SCCc3ccccc32)o1	585026364	MPJGHFGXYPAHPL-CQSZACIVSA-N	303.192	1.080	50	20	DDGD	
C[C@@H](C(=O)OCC(=O)NNC(=O)c1cccs1)C(C)(C)C	734625946	DOTQXDKJZKCUMV-VIFPVBQESA-N	312.391	1.735	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(C(=O)O)c1)[C@H]1CCCOC1	833520467	CQPNKKJAHBEDTI-JQWIXIFHSA-N	307.350	1.826	50	20	DDGD	
O=C(NCC(F)(F)F)NN=Cc1cc(Br)c[nH]1	834942134	MOBOPDLHGRZULB-UHFFFAOYSA-N	313.077	1.973	50	20	DDGD	
C[C@]1(CNC(=O)NNc2ccc(Cl)c(F)c2)CCC(=O)N1	838733421	JETRAJSQXKENMI-CYBMUJFWSA-N	314.748	1.774	50	20	DDGD	
COc1ccc(COCCC(=O)NNc2cccnn2)cc1	736701723	AOEUYDRPIVQLLM-UHFFFAOYSA-N	302.334	1.535	50	20	DDGD	
Cn1ccc(CNC(=O)NNc2cc(C(F)(F)F)ccn2)n1	836382428	MWFQPDBWSUUVCD-UHFFFAOYSA-N	314.271	1.660	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1CCCc2c(F)cc(F)cc21	585043672	SCSGFANBXSRFGY-QGZVFWFLSA-N	317.144	1.812	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cn1	735578953	CBNMHDVGTMFIBW-OUCADQQQSA-N	319.409	1.723	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NC[C@H](Cc1ccccc1)N(C)C	730969919	RWOSFISBXDGEHX-IRVMHKCDSA-N	301.390	1.719	50	20	DDGD	
O=C(CNC(=O)c1ccc(O)cc1)NNc1ncccc1Cl	734247262	APAMFYZRCGRAAZ-UHFFFAOYSA-N	320.736	1.314	50	20	DDGD	
COC[C@]1(CO)CCN(C(=O)[C@H](Br)C(C)(C)C)C1	837083584	TUECPSWNTZINAG-GXFFZTMASA-N	322.243	1.653	50	20	DDGD	
CCOC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)CCl	830172903	MHBCRYJFZMTKJS-NSHDSACASA-N	305.783	1.277	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cccc(C(=O)O)c2)c1	739132298	ILNNIQWFCRKUKM-UHFFFAOYSA-N	309.281	1.331	50	20	DDGD	
CCC(=O)C1(C(=O)NNc2nnc(-c3ccccn3)s2)CC1	830176368	DSNAHEDRHMYVRP-UHFFFAOYSA-N	317.374	1.803	50	20	DDGD	
CC(C)(C)[C@H]1OCCC[C@H]1CNCc1ccc(B(O)O)cc1F	585024230	VONKSSDLKNCGMR-BBRMVZONSA-N	323.217	1.436	50	20	DDGD	
C[C@H]1CC(NC(=O)NNC(=O)N=c2cc[nH]cc2)C[C@H](C)C1	836320331	YGSUQDMEEOWWKE-GHMZBOCLSA-N	305.382	1.664	50	20	DDGD	
O=C(NN=C1CCN(CC(F)(F)F)CC1)[C@@H]1CCCCO1	834988790	MVTAMWRCRJMYIR-NSHDSACASA-N	307.316	1.686	50	20	DDGD	
Cn1cc(C(=O)NN=C2CCN(C(=O)CC(C)(C)C)CC2)cn1	735414148	WSWBQVIHUADOFT-UHFFFAOYSA-N	319.409	1.565	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C/c1ccc(C(=O)NC2CC2)cc1	912773648	JPVXYPFIVIRFCE-NTUHNPAUSA-N	303.325	1.746	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNc1ccc(F)c(C(=O)OC)c1	837039953	VQTLRGNCCGOFGX-NXEZZACHSA-N	312.341	1.974	50	20	DDGD	
CCOCCOCCCC(=O)NNc1ncnc2ccsc12	830430445	GKSFIKZIJDAJOG-UHFFFAOYSA-N	324.406	1.968	50	20	DDGD	
O=C(CCN1CCOCC1)NNc1cc(C(F)(F)F)ccn1	832963367	YGBUDFFJIGVJNY-UHFFFAOYSA-N	318.299	1.266	50	20	DDGD	
CC(C)(O)C(C)(C)CNC(=O)NNc1ncc(F)cc1F	838718852	BDQGZCOIVOKLPX-UHFFFAOYSA-N	302.325	1.783	50	20	DDGD	
CC(C)c1nn(C)c(Cl)c1C=NNC(=O)N1CCOCC1	745591447	AJUQGUGJJQUHSK-UHFFFAOYSA-N	313.789	1.573	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@H]2CCCCO2)cc1	840775486	PWQBWZMJAGAODJ-GFCCVEGCSA-N	309.391	1.582	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)CCc2ccccc2)CS1	840416037	BNOXSPHEQBGRSB-DGCLKSJQSA-N	307.419	1.844	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1c(F)cc(C)cc1Cl	841634784	YCHVFGDQAVTOBD-UHFFFAOYSA-N	301.705	1.594	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCCCNC1CC1	841918722	VJRSFVCIAMJBJG-UHFFFAOYSA-N	304.394	1.092	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2ncsc2c1	843639853	KJQZXDHOJAHPHM-SCZZXKLOSA-N	305.359	1.482	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCCc2cccs2)s1	749356696	HYDWCWUVAPYUKL-UHFFFAOYSA-N	320.399	1.868	50	20	DDGD	
Cn1ccnc(NNC(=O)CC2C3CC4CC(C3)CC2C4)c1=O	846636492	LJFMOHGQTLGVFU-UHFFFAOYSA-N	316.405	1.686	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1	916577982	OWAMDINSCPCDKD-JTQLQIEISA-N	324.347	1.247	50	20	DDGD	
C=CCOc1ccc(CC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	843659217	IGHKKXIENUYOTA-IUODEOHRSA-N	318.373	1.366	50	20	DDGD	
CCCCOC(=O)C(C)(C)NS(=O)(=O)CBr	848504270	FINJLDVUDYZDCU-UHFFFAOYSA-N	316.217	1.380	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCCc1nnc(-c2ccccc2)o1	910170786	ODUVQKFERSDXIB-LBPRGKRZSA-N	318.377	1.403	50	20	DDGD	
COC[C@@H](C)OC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])c(O)c1	748147642	IJVYQLVFLWUXGY-JTTRITNRSA-N	306.274	1.785	50	20	DDGD	
CCC(=NNC(=O)Cc1cc(O)nc(S)n1)C1CCOCC1	745204882	YEEMLZRHROEMFB-UHFFFAOYSA-N	324.406	1.322	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1Cl	843655355	VBYOKDLWPAQRPI-IUCAKERBSA-N	314.773	1.051	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2COC[C@H]2C)cc1C	925992182	QEQLUDJHWQLEQB-TZMCWYRMSA-N	321.377	1.048	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc[nH]1	741768375	TYCXNYSDDAAVEU-UHFFFAOYSA-N	320.374	1.964	50	20	DDGD	
COC/C(C)=C/C(=O)NNc1cccc(Br)n1	846252563	ZZOYSYDANFGQGO-SOFGYWHQSA-N	300.156	1.880	50	20	DDGD	
CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)NN)c1	841231017	ZIGHSQRLVKKFAH-UHFFFAOYSA-N	300.384	1.069	50	20	DDGD	
CCO[C@@H]1COCC[C@@H]1NC(=O)NNc1cc(Cl)ccn1	759305672	HNHBSLQRRIAGEV-WDEREUQCSA-N	314.773	1.555	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F	758443889	ZIHXXZANMLRLSR-QMMMGPOBSA-N	312.301	1.530	50	20	DDGD	
C[C@H]1CN[C@H](C)CN1C(=O)NC[C@]1(C)C[C@H]1Br	857105024	CLVLNNXLUANGHX-KLBPJQLPSA-N	304.232	1.552	50	20	DDGD	
CC(C)(C)OCCCNC(=O)NNc1ncc(Cl)cn1	856921613	GSNMRJKBELNOLZ-UHFFFAOYSA-N	301.778	1.961	50	20	DDGD	
O=C(COC(=O)c1cc[nH]c1)NNC(=O)c1ccc(Cl)cc1	750499269	RTCKRAHHVDXFCG-UHFFFAOYSA-N	321.720	1.286	50	20	DDGD	
C[C@H](c1ccccc1)[C@](C)(O)C(=O)NNC(=O)C1CCOCC1	923055692	FOAXXSBYKHCLEU-PXAZEXFGSA-N	320.389	1.115	50	20	DDGD	
Cn1cccc1CNC(=O)NC[C@]1(C)C[C@@H]1Br	856837488	MLLTUESTRWJUNV-JQWIXIFHSA-N	300.200	1.998	50	20	DDGD	
CCn1ccnc1C=NNC(=O)c1nnc(O)c2ccccc12	755547446	XWOHWSDTRJTSOV-UHFFFAOYSA-N	310.317	1.316	50	20	DDGD	
CCN1CCC[C@@H](NC(=O)NNc2ccc(C)c(F)c2)C1=O	925981954	DJCJMBHTDZKZIT-CYBMUJFWSA-N	308.357	1.771	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)C)c1	755840515	ZIKDHGCDWUWQMS-ZDUSSCGKSA-N	321.425	1.955	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=S)N[C@H](C)C1CC1)c1ccccc1	855101130	QGIOQDLTUSAKBS-BZNIZROVSA-N	321.446	1.842	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC[C@H](C)C2CC2)cc1	920053048	AORKKUJKLBHFGN-LBPRGKRZSA-N	305.378	1.750	50	20	DDGD	
COC(=O)c1coc(C=NNC(=O)CCc2ccccc2O)c1	758111383	MPGAWMHEBRPVLO-UHFFFAOYSA-N	316.313	1.855	50	20	DDGD	
COc1cc(F)c(S(=O)(=O)N2CC=C(C#N)CC2)c(F)c1	759090651	QNWMLDKPIOWWPZ-UHFFFAOYSA-N	314.313	1.818	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc([N+](=O)[O-])s2)nc1	759721625	PDCLIHJXVSEBPH-UHFFFAOYSA-N	322.302	1.595	50	20	DDGD	
CNC(=S)N(C)NC(=O)/C(C)=C/c1ccc(OC)c(F)c1	854923107	ZSNRBVSMTNISDD-VQHVLOKHSA-N	311.382	1.705	50	20	DDGD	
CC[C@@H](C(=O)NNc1cccc(C#N)c1)N1CCO[C@H](CC)C1	855621728	NMBLTJQTJPDHLA-CVEARBPZSA-N	316.405	1.891	50	20	DDGD	
C=CCCn1cc(C=NNC(=O)Cc2nc(C)cs2)nn1	853284350	ZMTZJJOOLRIQBJ-UHFFFAOYSA-N	304.379	1.312	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1ccc2c(c1)CCS2(=O)=O	757525906	IMFCCJIQPBTDTC-RAXLEYEMSA-N	320.370	1.077	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1CNC(=O)NNC(=O)c1cccc(F)n1	852710245	LFAMKKCRTZGXCS-GHMZBOCLSA-N	308.357	1.991	50	20	DDGD	
CCn1cc([C@H](C)NC(=O)NNc2ncc(Cl)cn2)cn1	856913513	KXSJRRMLCHJXHG-QMMMGPOBSA-N	309.761	1.734	50	20	DDGD	
O=C(CN1[C@H]2C=CC[C@H]1CC2)NNC(=O)c1cccc(Cl)c1	752101321	RXKVISSNSAJMKL-KBPBESRZSA-N	319.792	1.894	50	20	DDGD	
COC[C@@H]1CCCN1C(=O)NNC(=O)CCCc1ccccc1	752006486	JHGPUCKUWDRKGJ-HNNXBMFYSA-N	319.405	1.861	50	20	DDGD	
CC(C)n1ncc(C(=O)NN(C)C(N)=O)c1-c1ccccc1	754278726	AZNYBYYDGMZDKA-UHFFFAOYSA-N	301.350	1.786	50	20	DDGD	
CN(Cc1cnccn1)C(=O)NC[C@]1(C)C[C@H]1Br	856952429	CDESGYIFOUCLBU-PWSUYJOCSA-N	313.199	1.792	50	20	DDGD	
C[C@]1(CNS(=O)(=O)c2ccc(C#N)o2)C[C@H]1Br	856752005	FXSZQEWQMUAZIY-PSASIEDQSA-N	319.180	1.603	50	20	DDGD	
CCOCCn1cc(C(=O)NNC(=O)NC2CCCCC2)cn1	857706850	SYCWLWJLICADEW-UHFFFAOYSA-N	323.397	1.196	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H]1CCN(C2CCCCC2)C1=O	856439236	MBCAKNOVTJOJEV-XMXAVACDSA-N	305.378	1.480	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2C[C@H]2C2CC2)c1	751213228	UUWHMAQMOIVVRJ-KBPBESRZSA-N	304.346	1.511	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H]1CC12CCC2	759793103	MBCIOAZDOPUSNA-ZDUSSCGKSA-N	302.374	1.965	50	20	DDGD	
Cc1nnc(C(=O)NNC(=O)CCOc2ccccc2)s1	857443942	SYCCTLXTZLOSAW-UHFFFAOYSA-N	306.347	1.077	50	20	DDGD	
CCc1cccc(C(=O)NNC(=O)c2ccccc2O)c1O	751360184	HWJBLMUZYQETCZ-UHFFFAOYSA-N	300.314	1.735	50	20	DDGD	
Cc1ccc(C)c(OCCC(=O)NNC(=O)c2cn[nH]c2)c1	862473667	DOMVMVYVWBVIGG-UHFFFAOYSA-N	302.334	1.257	50	20	DDGD	
O=C(NNC(=O)c1cncnc1-c1ccccc1)c1ccncc1	769533834	WABFOFMLMFNZCD-UHFFFAOYSA-N	319.324	1.613	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)C1(F)CCOCC1	869256716	QMGKSDFQOGLQKK-UHFFFAOYSA-N	301.249	1.696	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2cn(C)nc2C(C)C)c1	862478257	UINHNCSNJBWFPY-UHFFFAOYSA-N	306.391	1.988	50	20	DDGD	
NC(=O)CSCC(=O)NNc1cc(Cl)ccc1Cl	768181192	JCGGMPHGGJJRAG-UHFFFAOYSA-N	308.190	1.655	50	20	DDGD	
O=C(Cc1cccc(F)c1F)NNC(=S)Nc1ccccn1	768578063	MMJGDCZZRQLFJU-UHFFFAOYSA-N	322.340	1.920	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cc(F)cc2ccoc12	931114836	ZRSZPLUCDMHLBU-UHFFFAOYSA-N	307.281	1.259	50	20	DDGD	
O=C(NNC(=O)c1ccnn1C1CCCC1)c1ccccc1O	767822478	ARSSNHOTRHBAQY-UHFFFAOYSA-N	314.345	1.779	50	20	DDGD	
CCn1cc(CC(=O)N(C)NC(=O)OCc2ccccc2)cn1	862290035	KFMQGKSJMOZLSJ-UHFFFAOYSA-N	316.361	1.745	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C2CCC[C@H]2c2ccc(F)cc2)N1	863149258	WAJWZRMVRXVODX-GXTWGEPZSA-N	303.337	1.844	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)c1cncc(Cl)n1	760788618	UAIXWVNIEZOKHG-UHFFFAOYSA-N	324.699	1.109	50	20	DDGD	
CO[C@@H](C)C(C)=NNC(=O)c1nn(-c2ccccc2)cc1O	763137242	FRLOFCGIGDMQPB-NSHDSACASA-N	302.334	1.719	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)Nc1cccc2ccsc12	764143554	JHMDSCRIQDPYQM-UHFFFAOYSA-N	317.370	1.787	50	20	DDGD	
C[C@H](Oc1ccc(C=O)cc1)C(=O)NN[C@H](C)C(F)(F)F	862319529	GQIMDLFLWKMUOP-DTWKUNHWSA-N	304.268	1.838	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2C[C@H](C)[C@H](O)C2)cc1	769126776	JEOIFXJDRKOMLS-HNHCUVKTSA-N	300.358	1.831	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cccnc1S	863092662	FMKHAOVQMBOIEA-UHFFFAOYSA-N	301.240	1.802	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2ccc(OC(C)C)cc2)n[nH]1	869013026	JDEAMMCHRXGRCB-UHFFFAOYSA-N	316.361	1.509	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)c2ccnn2C)cc1OC	765992837	HBEIASFNGUTJSI-UHFFFAOYSA-N	302.334	1.591	50	20	DDGD	
Cc1cc(NNC(=O)c2ccncc2Br)ncn1	764323512	DHXYMJWRBGHMJE-UHFFFAOYSA-N	308.139	1.699	50	20	DDGD	
CCCC1(C(=O)NNC(=O)Cc2nc3ccccc3n2C)CC1	760272456	GIMGNDIJGMIBST-UHFFFAOYSA-N	314.389	1.844	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)CCc1ccc(F)cc1	865568693	YJZLRKQGZGUBRE-SNVBAGLBSA-N	318.352	1.887	50	20	DDGD	
COc1nccnc1NNC(=O)Cc1cccc(OCC#N)c1	764481065	CJNOXDSCNVEJJO-UHFFFAOYSA-N	313.317	1.073	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=C2CCOc3ccc(Cl)cc32)N1	863148021	RBJONQRMESVTNY-NSHDSACASA-N	307.737	1.221	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)Cn1ccc2ccccc21)C(C)C	769930728	PHZNHZXWLJUDAL-OAHLLOKOSA-N	303.362	1.460	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)C(C)(C)O)c(-c2ccccc2)s1	768261247	MCULQIMCCKHCTK-UHFFFAOYSA-N	319.386	1.650	50	20	DDGD	
Cc1ncncc1C(=O)NNC(=O)c1cn(C)c2ccccc12	1115853333	YLVWCLTYKVWFDA-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
Cc1ncccc1NC(=O)C(=O)NNc1cnc2ccccc2n1	773718188	JHTDMIUFMPQJAS-UHFFFAOYSA-N	322.328	1.415	50	20	DDGD	
CC[C@@H](CO)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	779723861	BVBAYKCKFZUYOZ-ZJUUUORDSA-N	310.419	1.652	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(c2ccc(C#N)cc2)CC1	870096794	VSSFGBZTFVRKLS-FYWRMAATSA-N	310.357	1.651	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1ccc2nccnc2c1	770408032	FPDVXJWDLORNSN-UHFFFAOYSA-N	300.709	1.830	50	20	DDGD	
C[C@@H](CO)CCCNC(=O)NNc1ccc(C(C)(C)C)nn1	1116395561	FYJCSRPZNJYKPN-LLVKDONJSA-N	309.414	1.809	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)/C=C\c1ccc(O)c(O)c1	779473168	JRMHWDDYXGTWEY-CLFYSBASSA-N	312.325	1.881	50	20	DDGD	
COCCC1(CNC(=O)NNC(=O)c2ccc(OC)cc2)CC1	1116305545	QMTVYVFMRIPUTI-UHFFFAOYSA-N	321.377	1.456	50	20	DDGD	
CN(C)CC1(C(=O)NNC(=O)c2ccc3ccccc3c2)CC1	874085040	DKERIFYQQLNLEP-UHFFFAOYSA-N	311.385	1.943	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1nc(C(C)(C)C)cs1	875242844	PMUJJRDIJNSKCH-UHFFFAOYSA-N	300.384	1.853	50	20	DDGD	
CC1(C)CN(CC(=O)NNC(=O)c2ccccc2)C(C)(C)CO1	777586457	OLZMPHYJPPWJRV-UHFFFAOYSA-N	319.405	1.337	50	20	DDGD	
COCCOCC(=O)NN=C1CCOc2c(C)cc(C)cc21	872403622	WOYWIWMSJPMOFN-UHFFFAOYSA-N	306.362	1.569	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1	775550350	ZRSRRVFQKNXPCE-MNOVXSKESA-N	322.365	1.500	50	20	DDGD	
O=C(CCCc1nc(C2CC2)no1)NNc1ccc(F)cn1	874650056	POPPVLOHKDCTEQ-UHFFFAOYSA-N	305.313	1.947	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1nn(C)cc1Br	879966755	WNFKARBIAGXARA-ZCFIWIBFSA-N	318.175	1.381	50	20	DDGD	
CC1=CCC[C@H](C)[C@H]1C=NNC(=O)[C@H](C)NS(C)(=O)=O	773207014	JVBCJBUIPLWOIV-SRVKXCTJSA-N	301.412	1.019	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@@H](CCO)c1ccccc1	881927924	HKIAAVUWOJYMTR-CYBMUJFWSA-N	305.827	1.701	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	772863703	VNLFAZDCVQMBGA-SNVBAGLBSA-N	320.324	1.271	50	20	DDGD	
O=C(NNS(=O)(=O)[C@@H]1C[C@@H]1c1cccc(F)c1)C1CCC1	882697654	HGMXELZSLJPBFJ-CHWSQXEVSA-N	312.366	1.432	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@H]1c1ccccc1)c1cccnn1	882059141	KRHLGHMPWCVVNP-KBPBESRZSA-N	310.357	1.822	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2nc(C)c(C)s2)cc1	770090402	OOZMRNUCKVGCCR-UHFFFAOYSA-N	319.386	1.908	50	20	DDGD	
O=C(NC[C@@H]1C[C@H]1C1CCCCC1)NNC(=O)C1CCOCC1	883668378	VEPGFADHCRNWLD-GJZGRUSLSA-N	323.437	1.960	50	20	DDGD	
CC#CCCNC(=O)NNC(=O)COc1cc(C)cc(C)c1	776206754	VSATWDYRGFNXSP-UHFFFAOYSA-N	303.362	1.426	50	20	DDGD	
CN(C)Cc1ccnc(NC(=O)NNC(=O)CC(C)(C)C)c1	880600441	OBXXEAUXUYRRPY-UHFFFAOYSA-N	307.398	1.732	50	20	DDGD	
C[C@@H](COCC(=O)NNC(=O)c1cccnn1)c1ccccc1	882056186	MBLDRFDJMASDLR-LBPRGKRZSA-N	314.345	1.058	50	20	DDGD	
NC(=O)[C@@H](F)C1CCN(C(=O)C2CCC(Cl)CC2)CC1	1123841411	YIFLQAKPGLLZRA-MCIGGMRASA-N	304.793	1.846	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1CCOC2(CCOCC2)C1	884401563	UAXQFZTVVZOMED-UHFFFAOYSA-N	311.426	1.550	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)C2CCOCC2)CCc2ccccc2C1	883064954	VFEJEYNKPGOKGS-GOSISDBHSA-N	316.401	1.756	50	20	DDGD	
O=S(=O)(CCCCl)NC1(c2ccc3c(c2)OCO3)CC1	882003103	BFBCNGKXBIQFIX-UHFFFAOYSA-N	317.794	1.953	50	20	DDGD	
Cc1ccccc1C[C@H](CO)NS(=O)(=O)CBr	786133118	VIKUOOLZLMCIII-LLVKDONJSA-N	322.224	1.170	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(-n2c(C)cnc2O)cc1	780709607	RBFXZYRXAYQXRE-UHFFFAOYSA-N	317.349	1.192	50	20	DDGD	
CCCn1cc(C(=O)NNC(=S)N[C@H](C)C2CC2)c(C)n1	1120668934	OHKOTNSWXCZWOW-SECBINFHSA-N	309.439	1.509	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NNc1ncncc1Cl	781825688	OZEIIKGCGOENMI-BDAKNGLRSA-N	300.746	1.157	50	20	DDGD	
NC(=O)c1ccccc1C=NNC(=O)c1ccc(Cl)nc1	788715027	UTCPQYYSEGSGQJ-UHFFFAOYSA-N	302.721	1.598	50	20	DDGD	
COC[C@H](NC(=O)NNc1cc(Cl)ccn1)[C@H]1CCCO1	789842527	MWLYAPAPTYXIKT-WDEREUQCSA-N	314.773	1.555	50	20	DDGD	
CSSCCNC(=O)c1cccc(CS(C)(=O)=O)c1	791113867	OJLBGJFKIMZNDN-UHFFFAOYSA-N	319.473	1.972	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=c2cc[nH]cc2Cl)n2cccc21	790022340	GFIDSBIMEQJGTF-LBPRGKRZSA-N	304.737	1.619	50	20	DDGD	
C[C@@H]1[C@@H](Cl)[C@H]1CN1CCN(c2nc(N)nc(C3CC3)n2)CC1	897573025	BHIDCSCVNMLFBR-ZMLRMANQSA-N	322.844	1.327	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](F)CC1CCCCC1	796204801	FAXWDSUYILMLCC-ZYHUDNBSSA-N	316.373	1.784	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41)c1ccncc1	792760516	BBSAWSYBHXUQEN-WBTLJEKMSA-N	309.369	1.237	50	20	DDGD	
O=C(NNC(=O)c1ccc2ccccc2c1)NOCC(F)F	792809566	BSHPVSHCURDRRD-UHFFFAOYSA-N	309.272	1.981	50	20	DDGD	
Cc1nc2cc(C(=O)NNc3ccnc(N(C)C)n3)ccc2o1	792642905	JPQCPABPSQAZDW-UHFFFAOYSA-N	312.333	1.749	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)c2c[nH]nc2C)cc1C=O	793456414	SNTULBUXYAXPNP-UHFFFAOYSA-N	300.318	1.222	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNc2nc3ccccn3n2)ccn1	791264549	YDERLKUQRXLSHF-UHFFFAOYSA-N	312.333	1.668	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)Cc1ccc2n[nH]cc2c1	794901566	HSNRFXUHZCRQBT-UHFFFAOYSA-N	323.356	1.365	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC(F)(F)C1)c1cccc([N+](=O)[O-])c1	794867089	ZVZRQCMXLLENRW-SECBINFHSA-N	313.260	1.791	50	20	DDGD	
Cc1nn(CCO)c(C)c1C=NNC(=O)c1ccc(C#N)cc1	1318094479	OVWRTIHAYUSRJN-UHFFFAOYSA-N	311.345	1.128	50	20	DDGD	
CSCCNC(=S)NNC(=O)CCNc1ccccc1	1319962796	OKRDPMSHIRVSGO-UHFFFAOYSA-N	312.464	1.347	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cccc(Br)c1O	1319831984	IXYRKVBTOWHQHS-UHFFFAOYSA-N	316.155	1.509	50	20	DDGD	
CCn1nc(C(C)C)cc1C(=O)NNC(=O)[C@H]1CCCCO1	1328013079	HQJZNCDLVLIBSC-CYBMUJFWSA-N	308.382	1.357	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccsc2)cc1	1320234946	NOSYUWMVAURFCE-UHFFFAOYSA-N	319.342	1.156	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C(C)(C)Oc1ccccc1	1328550173	BSLMCXFWFFGDOF-AAEUAGOBSA-N	306.362	1.416	50	20	DDGD	
Cc1nc([C@H](C)NC(=O)NNC(=O)c2ccccc2Cl)no1	1323886970	ZDCGFPBGRIUSLR-ZETCQYMHSA-N	323.740	1.737	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)C(C)(C)C)c1ccnc(C)n1	1327658773	JFYIVGRYHRHYBP-UHFFFAOYSA-N	319.409	1.568	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)c(Cl)n1	1337651767	RAYAQRXEYPDHGT-UHFFFAOYSA-N	312.757	1.175	50	20	DDGD	
C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)NNC(=O)c1cn[nH]c1	1331537256	RAGPHDXBCVZZDD-FZMZJTMJSA-N	313.361	1.642	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@]23CCC[C@@H]2C3)nc1C	1335273338	QZLGVSDYPQWQIB-MEBBXXQBSA-N	304.350	1.595	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2ccc(C(C)(C)C)nn2)on1	1337504228	OWBWQASOYZOLFR-UHFFFAOYSA-N	319.321	1.306	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	1336485364	RGGQKPCKJPLRND-GHMZBOCLSA-N	321.333	1.383	50	20	DDGD	
O=C(NN=Cc1cn2cc(Cl)ccc2n1)C1CCOCC1	1331360531	MDHDNNAMTXXPPD-UHFFFAOYSA-N	306.753	1.864	50	20	DDGD	
CCN1CCC[C@H](NC(=O)NNc2cccc(Cl)n2)C1=O	1263171578	VVYNJMRMOSFDSF-VIFPVBQESA-N	311.773	1.372	50	20	DDGD	
Cn1[nH]c([C@H]2CCCN2C(=O)C2CCC(Cl)CC2)nc1=N	1349810033	LIORPFYHRUTVNP-VQXHTEKXSA-N	311.817	1.689	50	20	DDGD	
Cc1cc(C=NNC(=O)c2n[nH]c3c2CCCC3)cnc1F	1356021076	GRKIFAQEWXBEAU-UHFFFAOYSA-N	301.325	1.895	50	20	DDGD	
CC1(C)C[C@H](C(=O)NNC(=O)Cc2ccccc2F)CCO1	1357896652	FOKJBYCBFUGPIU-GFCCVEGCSA-N	308.353	1.721	50	20	DDGD	
C=C[C@@H](NNC(=O)c1ccc(OC(C)C)c(OC)c1)C(=O)O	1602819593	ZNAZPZVBYGMPPK-LLVKDONJSA-N	308.334	1.356	50	20	DDGD	
CN(NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1CC2)C(=O)OC(C)(C)C	1606180887	MLSFFECKLZABJL-YFKTTZPYSA-N	324.377	1.798	50	20	DDGD	
O=C(Cn1ccc(C(=O)O)n1)NNc1cccc2cnccc12	1608378180	UKLRCTXFGHRRNE-UHFFFAOYSA-N	311.301	1.273	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@H]2Cc3cc(F)ccc3O2)c1	1602447998	JQCSKEBEOQORPI-CQSZACIVSA-N	316.288	1.971	50	20	DDGD	
CSSCCNC(=O)Nc1ccc(-c2nn[nH]n2)cc1	1609372234	VXETVIVMNQDFTA-UHFFFAOYSA-N	310.408	1.999	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)O)O2)c(Cl)c1	1600461844	YSBUINKDKGFKJJ-GGZOMVNGSA-N	312.753	1.970	50	20	DDGD	
Cc1nn(CC(=O)NNc2ccccc2C(=O)O)c(C)c1Cl	1600779997	AZGAGQXBQONHSV-UHFFFAOYSA-N	322.752	1.995	50	20	DDGD	
O=C(CCOC[C@H]1CCCO1)NNc1cccc(C(=O)O)c1	1601281267	JLOHJAPJUXEWEY-CYBMUJFWSA-N	308.334	1.414	50	20	DDGD	
O=C(Cn1cc(C(=O)O)c2ccccc21)NNc1ccncn1	1608374199	UUZLSAHJWKBHOA-UHFFFAOYSA-N	311.301	1.273	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cn3c(n2)CCCC3)c(F)c1	1608904657	CKVUWYCAJUNYJG-UHFFFAOYSA-N	318.308	1.814	50	20	DDGD	
Cc1ccc(C(=O)NNC(=S)NCCCC(=O)O)cc1F	1610484916	OCJCYVQTESACKR-UHFFFAOYSA-N	313.354	1.108	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CC[C@H]3CNC[C@@H]3C2)c1	1579832872	ZWMLIRSNJDDMRR-SDDRHHMPSA-N	322.434	1.389	50	20	DDGD	
CC(C)C[C@@H](N)C(=O)NNC(=O)C(F)(F)Oc1ccccc1	1575626819	UTVIQIPTBCBERH-LLVKDONJSA-N	315.320	1.179	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C23CCC(CC2)N3)cc1C	1579727569	QCBQNNOPCMIQNE-UHFFFAOYSA-N	317.389	1.114	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CC2(CN)CCCCC2)c(O)c1	1574149812	PNXQMRGXEFZHPC-UHFFFAOYSA-N	319.405	1.761	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCS1)c1ccccc1OCC(=O)O	1589010623	DQZGUZYNHLVPMH-ZDUSSCGKSA-N	322.386	1.886	50	20	DDGD	
CC[C@H](C)[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](F)Cl	1847830799	BTPXUWYMWQMVQA-HTFCKZLJSA-N	320.792	1.130	50	20	DDGD	
C[C@@](C#N)(CC(=O)O)C(=O)NNc1nccnc1C1CCC1	1588541945	OPCJHVWHVGYQLG-AWEZNQCLSA-N	303.322	1.192	50	20	DDGD	
O=C(/C=C/C1CC1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](F)Cl	1847584538	QBZNFIZHUWSDQZ-DQBXEUDBSA-N	300.761	1.689	50	20	DDGD	
CC[C@@](COC)(NC[C@@H](CBr)C1CC1)C(=O)O	1595194959	MQWRGJKMEFRCBQ-PWSUYJOCSA-N	308.216	1.877	50	20	DDGD	
COC[C@]1(C(=O)O)CCN(C[C@H](CBr)C2CC2)C1	1593966201	CRUICEDPTKVYID-AAEUAGOBSA-N	320.227	1.831	50	20	DDGD	
C[C@H](OCc1ccncc1)C(=O)NNc1ccccc1C(=O)O	1593610499	AQZPELIVBZXFFS-NSHDSACASA-N	315.329	1.828	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CC[C@H]2C(=O)O)c(F)c1	1593883074	PWOGYGUELBGBDI-RKDXNWHRSA-N	310.281	1.166	50	20	DDGD	
CCC(=NNC(=O)NCC(=O)O)c1cc(Cl)ccc1OC	1594694100	LZPNMAAPTSTFOQ-UHFFFAOYSA-N	313.741	1.847	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1ccc(C(=O)O)cn1	1594689078	ALVLALQRWGGFDK-UHFFFAOYSA-N	313.313	1.174	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H]1CC[C@H]1C(=O)O)c1ccccc1	1594736075	JHBABJIAZXQRIC-RWMBFGLXSA-N	304.346	1.438	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCN1CCNC(=O)[C@@H]1CC(=O)O	1590451197	FYFAUIWOOJXYMG-NSHDSACASA-N	316.474	1.283	50	20	DDGD	
Cc1nc(C(C)C)oc1C(=O)NNc1ncccc1C(=O)O	1594449908	RBNVBYUCCJELPZ-UHFFFAOYSA-N	304.306	1.957	50	20	DDGD	
O=C(O)c1cnc(Cl)cc1C=NNC(=O)C1CCOCC1	1776103110	QTOUAIYPNMABGF-UHFFFAOYSA-N	311.725	1.310	50	20	DDGD	
CNC(=O)/C(C#N)=C\c1cc(C(=O)O)ccc1Br	1776125225	ALOJNTSXQVFSNJ-UITAMQMPSA-N	309.119	1.800	50	20	DDGD	
CCCn1cc(C=NNC(=O)Nc2ccc(C(=O)O)cc2)nn1	1776045769	JXEABKRQUPNONV-UHFFFAOYSA-N	316.321	1.542	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc(C)cc1C(=O)O	1776024612	GXXXEBBAIFJAMK-UHFFFAOYSA-N	305.378	1.875	50	20	DDGD	
NCC(=O)Nc1ccc(C2(NC(=O)[C@@H](F)Cl)CCC2)cc1	1787971168	BOSGKMBJHFFDJT-GFCCVEGCSA-N	313.760	1.614	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1ccc[nH]1	158856100	JPHAPNFHHCPKHP-ZJUUUORDSA-N	305.284	1.858	50	20	DDGD	
C[C@H]1OCC[C@@H]1SCC(=O)NNC(=O)c1ccc(F)cc1	163944237	OEVUBKFNNRKCHF-SKDRFNHKSA-N	312.366	1.497	50	20	DDGD	
N[C@H]1CCC[C@H](C(=O)NNc2nc(-c3ccncc3)no2)C1	167219376	HREDGYXHFICJSH-QWRGUYRKSA-N	302.338	1.092	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccccc2OC(C)C)[nH]n1	151156654	RLUFPLOKVRKWLE-UHFFFAOYSA-N	302.334	1.580	50	20	DDGD	
CC[C@H]1CCCCN1CCNC(=O)NNc1ccc(OC)cn1	157282190	FDCPZBBXFKOMQQ-ZDUSSCGKSA-N	321.425	1.981	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@@H](C)Cn2cccn2)nc1	156925624	IXQKVHYGSJXSTE-LLVKDONJSA-N	304.354	1.249	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccc(C(F)(F)F)cc2)CCN1	159840329	KURDBDFRRGNZIA-MRVPVSSYSA-N	301.268	1.675	50	20	DDGD	
COc1ccc(NNC(=O)CN(C)Cc2ccccc2)nc1	159465752	MDMFAMSJAHONQJ-UHFFFAOYSA-N	300.362	1.665	50	20	DDGD	
CCOC(=O)CN(C)S(=O)(=O)c1ccc(CCl)cc1	311625848	UFDOERUGGKCMJM-UHFFFAOYSA-N	305.783	1.609	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@]1(C)C[C@H]1Br	2280701	HWGCUVGSIUBHSK-LDWIPMOCSA-N	308.245	1.454	50	20	DDGD	
CCc1cc(NNC(=O)c2cnccn2)nc(-c2ccccn2)n1	115156390	HQWXVGCSZRSFLK-UHFFFAOYSA-N	321.344	1.648	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cc(C)n[nH]2)cc1	55700432	ICHLMOPFROJGLW-UHFFFAOYSA-N	302.334	1.121	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1oc2ccc(F)cc2c1C	108929449	QHBDXIIEHLKMEC-UHFFFAOYSA-N	323.324	1.747	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C	55617650	GBZRWKGRBHKLOJ-MRVPVSSYSA-N	315.351	1.259	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2ccncc2)nc2ccccc12	175805915	YURUAZQCQBBOHF-UHFFFAOYSA-N	320.352	1.942	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1nnc(C2CC2)n1CC	110103779	LJHUNJFKVACULF-MRVPVSSYSA-N	311.411	1.213	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ccnc3ccccc23)nc1	106925396	HCDUQTQINKLBGI-UHFFFAOYSA-N	307.313	1.486	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cc(C3CC3)[nH]n2)n1	177664834	ZEVUHXMOJQEIAO-UHFFFAOYSA-N	315.381	1.680	50	20	DDGD	
Cc1cc(NNC(=O)CCc2nnc(C3CCCC3)o2)ncn1	178022604	VRHNGEMVLUMLOT-UHFFFAOYSA-N	316.365	1.902	50	20	DDGD	
C[C@@H](Oc1ccccc1)C(=O)NNC(=O)c1ccc(C#N)cc1	61474758	SZGVISDHRLAMMH-GFCCVEGCSA-N	309.325	1.787	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1	112274354	KXAOSGQEJHYBRS-STQMWFEESA-N	323.437	1.609	50	20	DDGD	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)C1CC1	22599182	ZPPWBQBSNNJTFY-MRVPVSSYSA-N	309.347	1.633	50	20	DDGD	
CC(C)C[C@@H](C)OCCC(=O)NNc1cc(Cl)nc(N)n1	183539590	RWZPFRPHJQPHAI-SECBINFHSA-N	315.805	1.997	50	20	DDGD	
Cn1c(NNC(=O)/C=C/c2ccco2)nc2ccccc2c1=O	113188807	KDCFVJMQIDZDNQ-CMDGGOBGSA-N	310.313	1.683	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1	110761851	PZOSNWIGJPMRTO-NWDGAFQWSA-N	318.764	1.936	50	20	DDGD	
Cc1nn(CCC(=O)NNc2ccncc2)c(C)c1[N+](=O)[O-]	180490125	ZWWDOTRRDOGYMZ-UHFFFAOYSA-N	304.310	1.337	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NNC(=O)CCCc1ccccc1	171280145	ZPSGKPLZZMIHLZ-UHFFFAOYSA-N	320.393	1.417	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C2[C@H]3CCC[C@H]23)c1	178075019	NBFBVFMSABQGRK-STQMWFEESA-N	302.374	1.876	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)Cc1ccccc1F	61481968	UEFDPHXHOUTPBX-UHFFFAOYSA-N	316.332	1.985	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2ccc(C)cc2O)c1	78939142	IDTFJBPRYGQVJU-UHFFFAOYSA-N	314.341	1.849	50	20	DDGD	
O=C(NNc1ccncc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	180522526	NLKIIPJQPLVPKS-UHFFFAOYSA-N	303.234	1.655	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNC(=O)[C@@H](CC)c1ccccc1	171939855	KWGHIMXAJDXCTO-CMPYXILNSA-N	301.346	1.772	50	20	DDGD	
CCC1CC(=O)C(=CNNC(=O)Cc2ccccc2F)C(=O)C1	171835805	YBUDZKNWXDFTNW-UHFFFAOYSA-N	318.348	1.831	50	20	DDGD	
Cc1c(CCC(=O)NNc2ccccc2[N+](=O)[O-])cnn1C	121841331	FOQWHQFTUFXZDT-UHFFFAOYSA-N	303.322	1.713	50	20	DDGD	
O=C(CNC(=O)c1cc(F)cc(F)c1)NNc1ccccn1	181911151	CPVDZCBGVILISX-UHFFFAOYSA-N	306.272	1.233	50	20	DDGD	
COCCCCC(=O)NNC(=O)Cc1nc2ccccc2n1C	122137641	DGYYEBANDXJBNM-UHFFFAOYSA-N	318.377	1.080	50	20	DDGD	
Cn1nnc2cc(C(=O)NNc3ccc4ccccc4n3)cnc21	184049477	NSXWIKIQHVZXNM-UHFFFAOYSA-N	319.328	1.668	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)Cc2cccnc2)cc1F	182786989	CWEWJCZLOSUXOI-UHFFFAOYSA-N	302.309	1.925	50	20	DDGD	
CC(C)Cn1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cn1	180698819	DRLUWYGXQQQMHH-HVJNQHDOSA-N	302.378	1.741	50	20	DDGD	
CN(CCOCc1ccccc1)C(=O)NNC(=O)C(C)(C)C	120269601	JDOUNRAFPAGBFP-UHFFFAOYSA-N	307.394	1.922	50	20	DDGD	
CCc1ccnc(C(=O)NNC(=O)COc2ccc(C)cc2)c1	181664617	PSFBSWYQQRUHOD-UHFFFAOYSA-N	313.357	1.792	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1cc(C)nn1C	126186374	DNIDHEACLQRCSY-UHFFFAOYSA-N	322.752	1.465	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C1CCCCC1	71822111	FOXCWLSUTPHKGH-UHFFFAOYSA-N	305.378	1.835	50	20	DDGD	
O=C(NNC(=O)c1cccnc1S)c1ccc(Cl)nc1	48601531	QBJISBBTWMDUOD-UHFFFAOYSA-N	308.750	1.494	50	20	DDGD	
Cc1nc2ccccc2n1CCC(=O)NNC(=O)C(C)(C)C	130817802	LZPAJSBXONHZOA-UHFFFAOYSA-N	302.378	1.928	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NCc1ccoc1	47088848	NTNMHLCDXPRSNY-SNVBAGLBSA-N	321.308	1.717	50	20	DDGD	
COCc1nc(C(=O)NNC(=O)c2ccc(C)s2)cs1	49159544	MBTIFKILHZOMKB-UHFFFAOYSA-N	311.388	1.734	50	20	DDGD	
COc1cccc([C@H](C)CC(=O)NNC(=O)[C@@H]2CCCO2)c1	84582554	VGAXOPMJIYGTTG-RISCZKNCSA-N	306.362	1.515	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCCCCCO)cc1	192707390	GSCIVUJAAIHEHZ-UHFFFAOYSA-N	307.394	1.746	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)Cn1ccc2ccc(Cl)cc21	190049808	SQGUQCRJOMEPJQ-UHFFFAOYSA-N	309.753	1.213	50	20	DDGD	
Cc1ccn(C)c(=O)c1NC(=O)NNc1ncccc1Cl	92928240	RUOPIKBVIHTBQP-UHFFFAOYSA-N	307.741	1.891	50	20	DDGD	
CNCC1CCN(C(=O)c2c(C)nn(CCCl)c2C)CC1	237346018	GUJGEAQRCXEQMT-UHFFFAOYSA-N	312.845	1.810	50	20	DDGD	
Cc1ncc(/C=C\C(=O)NNC(=O)Cc2cccnc2)s1	255584845	CUEJJMCUKDLMFI-PLNGDYQASA-N	302.359	1.250	50	20	DDGD	
CNC(=O)/C(C#N)=C/c1cc(Br)c2c(c1)OCCO2	255477580	TXUMLVISJBWTHO-RUDMXATFSA-N	323.146	1.873	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)cc1	265079542	MMWXYCKBHFUHOB-QLFBSQMISA-N	318.373	1.343	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1	269477725	NRZNNIOXIKDGTF-XZHRJIJLSA-N	323.393	1.898	50	20	DDGD	
C[C@H](C(=O)NNc1cc(Cl)ccc1Cl)S(C)(=O)=O	267834911	LJRCMESUICBJAW-ZCFIWIBFSA-N	311.190	1.870	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](C)c1cnn(C)c1	266493848	AIOQUCNIPAPSPH-LLVKDONJSA-N	301.350	1.434	50	20	DDGD	
C[C@@H]1OCCN(C(=O)NNC(=O)COCc2ccccc2)[C@H]1C	268864835	IWFGHVPQBYDYAJ-STQMWFEESA-N	321.377	1.053	50	20	DDGD	
COC[C@H](NC(=O)NNc1nccc(OC)n1)c1ccc(C)o1	266933092	HXPJNRYRMNHZFM-JTQLQIEISA-N	321.337	1.400	50	20	DDGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC[C@@H](CS(N)(=O)=O)C1	267490717	KBCGBJJLSMBLRY-IWTIEGKHSA-N	323.393	1.691	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NNc1ncnc2ccsc12	268929985	SKJPYZIWVHJHBA-UHFFFAOYSA-N	308.367	1.395	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@H]1CC12CCOCC2	363157490	IKCKYETZDCDEPT-CYBMUJFWSA-N	306.337	1.332	50	20	DDGD	
O=C(C=C(C1CC1)C1CC1)NNC(=O)Cc1cn2ccccc2n1	266949389	SJMLVJRIOTWSSH-UHFFFAOYSA-N	324.384	1.771	50	20	DDGD	
Cc1c(NNC(=O)NCc2cnn(C)c2C)cccc1[N+](=O)[O-]	270383916	KZMUTGGNFHMXOC-UHFFFAOYSA-N	318.337	1.771	50	20	DDGD	
Cc1nc(-c2cccc(NC(=O)NNC(=O)CC(C)C)c2)n[nH]1	273403540	NTJVDRSIAXPSPW-UHFFFAOYSA-N	316.365	1.979	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNc1nnc(C2CC2)s1	273639852	UIKYYPQUXXSPMY-UHFFFAOYSA-N	314.374	1.909	50	20	DDGD	
O=C1COc2ncc(C(=O)NNc3ccccc3F)cc2N1	367511402	ZDHVJDNFTPSRBN-UHFFFAOYSA-N	302.265	1.309	50	20	DDGD	
C[C@](O)(CC(=O)NNC(=O)c1ccc2ccccc2n1)C1CC1	270032452	DVYFQXNAORGGCR-KRWDZBQOSA-N	313.357	1.547	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2CCO[C@@H](C(C)C)C2)n1	271539057	PEWJECFQPSMAPR-QWHCGFSZSA-N	307.398	1.923	50	20	DDGD	
C[C@H]1C(=O)CC[C@H](C(=O)NNc2ncnc3nc[nH]c23)C1(C)C	275517663	YREIUVQKYYOODL-DTWKUNHWSA-N	316.365	1.437	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)COC2CCCC2)nc1C	272180563	LLHDUJKYZKMOAB-UHFFFAOYSA-N	322.365	1.364	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N2CCN(C)CC2)cc1Cl	278571511	IOQKICVJWKVFOE-UHFFFAOYSA-N	310.785	1.250	50	20	DDGD	
CC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)c1ccccc1F	272790238	BHEYCAYKBKJRKQ-ZDUSSCGKSA-N	309.341	1.138	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(OC)c(OCC)c1	274457475	VXBYPQZYQZRTMG-UHFFFAOYSA-N	310.354	1.792	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2	370455018	MCYGMHQCKICXBG-CHWFTXMASA-N	301.268	1.303	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)Nc1nc(C2CCC2)cs1	279353162	GHQVWAXNJNULKV-UHFFFAOYSA-N	322.390	1.297	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)cc1	271722548	QHUKCEBJUWYUQY-UHFFFAOYSA-N	307.350	1.217	50	20	DDGD	
CC(C)[C@]1(C)C[C@H]1C(=O)NNC(=O)COc1ccccc1O	274677697	LPSMXIYIKWJRNA-ZBEGNZNMSA-N	306.362	1.601	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)C1(c2cccnc2)CCCC1	377342211	JMXQOUFSQDNZOW-UHFFFAOYSA-N	324.384	1.679	50	20	DDGD	
Cn1cc2c(n1)CCC[C@@H]2C(=O)NNc1cccc([N+](=O)[O-])c1	370240925	LWKLDFGQPGTSMR-LBPRGKRZSA-N	315.333	1.892	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(C)(C)c2c(C)noc2C)o1	280443438	BFAOJTWWPBRBRH-UHFFFAOYSA-N	305.334	1.932	50	20	DDGD	
O=C1CSc2cc(C(=O)NNc3cccnn3)ccc2N1	377961359	QHKXNZLIUNSOMM-UHFFFAOYSA-N	301.331	1.278	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1C[C@@]12CCOC2)c1ccccc1	376924579	IBYQWFQGVNEROZ-GRDNDAEWSA-N	302.374	1.754	50	20	DDGD	
NCC1(C(=O)NNc2ccccc2C(F)(F)F)CCOCC1	285629581	WNGPWDQKGLNMIZ-UHFFFAOYSA-N	317.311	1.904	50	20	DDGD	
COCCn1cc(C(=O)NNc2cccc(F)c2)c(=O)cc1C	288376510	XVFOJPVFLHSBDJ-UHFFFAOYSA-N	319.336	1.699	50	20	DDGD	
O=C(NCCC1(O)CCOCC1)NNc1cccc([N+](=O)[O-])c1	288391080	YMTXEKQWJJOTLH-UHFFFAOYSA-N	324.337	1.153	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H]1C[C@@H](c2ccccc2)OC1=O	289428678	VJLRPVWWQJVGGQ-STQMWFEESA-N	304.346	1.484	50	20	DDGD	
Cc1c(CC(=O)NNc2ccc(C(F)(F)F)cn2)cnn1C	293474309	KYFKSJNXAMMBSQ-UHFFFAOYSA-N	313.283	1.828	50	20	DDGD	
COCC1(C(=O)NNc2cc(Cl)nc(C)n2)CCOCC1	290011570	JFFKJGXRPYHWAB-UHFFFAOYSA-N	314.773	1.325	50	20	DDGD	
C#CCCCCC(=O)NNc1ccccc1S(=O)(=O)N(C)C	292455276	YGMFKWIHLBZLNH-UHFFFAOYSA-N	323.418	1.574	50	20	DDGD	
C[C@H](C(=O)NNc1nc2ccccc2c(=O)n1C)C(C)(F)F	294616198	DYFKZWLOOUOWQV-MRVPVSSYSA-N	310.304	1.668	50	20	DDGD	
COC[C@H](C)CNC(=O)NNC(=O)Nc1cccc(Cl)c1	296176316	AVZNARCVNYYUMI-SECBINFHSA-N	314.773	1.958	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)Cc1ccc(F)cn1	806773031	APKLAGPQVSVKCW-UHFFFAOYSA-N	315.348	1.934	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H](CC)N2CCCC2=O)cc1	293798036	BKFZIGROWLIMHO-CQSZACIVSA-N	305.378	1.929	50	20	DDGD	
C=CCOCCNC(=O)NNc1ccc2c(=O)[nH]ccc2c1	807089500	GOERTGFDSOVGOK-UHFFFAOYSA-N	302.334	1.357	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)O[C@H](C)c2nncn2C)cc(C#N)n1C	805386415	PLQBPSVMWAWPSQ-MYMMUUHESA-N	324.344	1.545	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CC23CCCC3)cc1	801105777	KHWFJAXIKJOGDY-CYBMUJFWSA-N	315.373	1.661	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1nnc(C2CCOCC2)s1	294326167	POSNYBDMWABEBD-CSKARUKUSA-N	308.363	1.815	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1cccc(C2OCCO2)c1	808860831	PEBUCCUJRSCMFH-UHFFFAOYSA-N	319.296	1.810	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNC(=O)c1ccccc1C	805152824	NXHMGQNPPZVQAW-UHFFFAOYSA-N	306.362	1.735	50	20	DDGD	
Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NNC(=O)C1CCCC1	801815561	HLBOHECAVXJURK-UHFFFAOYSA-N	310.285	1.267	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12	294263947	UMVAJEXSXUJUIA-UHFFFAOYSA-N	302.290	1.637	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1	804124966	RKBMRLOWWQBZKM-CYBMUJFWSA-N	302.334	1.256	50	20	DDGD	
CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C1CCOCC1	819772645	IHDRHFDTXHCEEE-UHFFFAOYSA-N	314.349	1.399	50	20	DDGD	
Cc1c(CC(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])cnn1C	814315631	HARUHZCVFYAVAJ-UHFFFAOYSA-N	323.740	1.976	50	20	DDGD	
O=C(COc1ccccc1Br)NNc1nc[nH]n1	816634618	NZLVSBOZCJWEDB-UHFFFAOYSA-N	312.127	1.089	50	20	DDGD	
CC(Cn1cccn1)=NNC(=O)[C@H]1COc2ccccc2O1	814700899	HSQAAONNCOULDI-CQSZACIVSA-N	300.318	1.215	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NN=C[C@@H]2CCOC2)cc1	812433911	NSOSAIRAPIBMIK-OLZOCXBDSA-N	306.362	1.991	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	813575240	PYNHDEJRXNYPFV-ZJUUUORDSA-N	323.349	1.487	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=C1CC(C)(C)c2ccccc21	728433432	HUBQZDOGCLGBQK-JTQLQIEISA-N	323.418	1.126	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)N[C@H]1CCN(CC2CC2)C1	814303683	IEUMBXZSLLCZIJ-NSHDSACASA-N	309.801	1.845	50	20	DDGD	
Cc1ccccc1OCCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	825747878	BCEAIXYAGCXJLJ-OLZOCXBDSA-N	321.377	1.129	50	20	DDGD	
CC(=O)N[C@](C)(C(=O)NNc1nc2ccccc2[nH]1)C(C)C	827967769	UJXGLSFLAHPSAJ-HNNXBMFYSA-N	303.366	1.557	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C	492943070	FQHNFLSYNGTJJD-SNVBAGLBSA-N	301.387	1.293	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)N[C@@H]1C[C@H]1C1CCC1	823880159	NFRZXUBJJIQHDK-GXTWGEPZSA-N	305.353	1.887	50	20	DDGD	
CC(=O)NC[C@H](CC(=O)NNc1cc(C)ncn1)CC(C)C	825854499	KFVPPEBADMQTPP-ZDUSSCGKSA-N	307.398	1.417	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N[C@@H]1CCCS(=O)(=O)C1	490874531	GPEDELYJTQLELG-ICDLMJIXSA-N	322.361	1.426	50	20	DDGD	
CC(C)(C)[C@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)C(N)=O	491013781	VGHSQDBWFKOFFU-RUNBWSAHSA-N	301.346	1.315	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C	493923006	VMPMBDMLRCIFCX-SECBINFHSA-N	316.402	1.228	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cnc(-c2ccccc2)nc1C	495628927	MINZRCFLZTUCKY-UHFFFAOYSA-N	300.318	1.795	50	20	DDGD	
COc1cccc(NNC(=O)/C=C/CN(C)CC(F)(F)F)n1	492933975	ZMDOFVSEHUJHTK-GQCTYLIASA-N	318.299	1.584	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2ccc3c(=O)[nH]ccc3c2)CO1	828439348	GNTVBFUXSFMHLJ-SKDRFNHKSA-N	302.334	1.332	50	20	DDGD	
Cn1cccc1C(=O)NN=Cc1ccc(N2CCOCC2)s1	725845586	FOTSNZIJRRMECX-UHFFFAOYSA-N	318.402	1.687	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H](C)OCc1ccc(F)cc1	822193814	SWDDEZATVKPZEH-SNVBAGLBSA-N	311.382	1.412	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCC(C)(C)NC(=O)OC(C)(C)C	491967994	KGUHPTGVCKLYNP-UHFFFAOYSA-N	316.402	1.276	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl	823860417	RMPUVDMXCXQEEB-SECBINFHSA-N	304.749	1.592	50	20	DDGD	
C[C@@H](CC(=O)O)C(=O)NNC(=O)NCc1ccc(Cl)cc1	827304700	ZGJSFFNZVPAGOT-QMMMGPOBSA-N	313.741	1.281	50	20	DDGD	
CNC(=O)/C(C#N)=C\c1cn(-c2ccc(F)cc2Cl)nn1	490782205	IMBDPLXJOPHLIG-YWEYNIOJSA-N	305.700	1.713	50	20	DDGD	
COCC1(C(=O)NNC(=S)NCCc2cccs2)CC1	820171196	IDERQBHEHANQOP-UHFFFAOYSA-N	313.448	1.213	50	20	DDGD	
Cc1ncsc1/C=C/C(=O)NNC(=O)c1cccc(C#N)c1	492652106	PPSGUUJJJXVWOW-AATRIKPKSA-N	312.354	1.798	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1cc2n(n1)CCC2	822731138	GYKDJWKRKUUVLI-UHFFFAOYSA-N	318.308	1.512	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C	493157040	OHLLFNTVJFCQMR-SNVBAGLBSA-N	316.402	1.230	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(C)(C)CNC(=O)OC(C)(C)C	495277849	XXIYVLKIZMGXMN-UHFFFAOYSA-N	316.402	1.230	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)Nc2ccc(=O)n(C)c2)cc(C#N)n1C	490612307	WWALTRSYUXWVNX-AWNIVKPZSA-N	321.340	1.450	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NC[C@H]2CCC=CO2)cc(C#N)n1C	490912066	WPEXLSURBMNIBO-ACQAZONXSA-N	310.357	1.921	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NN=Cc1c[nH]c(C(=O)O)c1	495718762	GMQMWVXEDMCWPT-UHFFFAOYSA-N	324.337	1.078	50	20	DDGD	
O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)c1cccc(B(O)O)c1	584949599	NMXXKKKWTOOGGM-CRAIPNDOSA-N	323.201	1.508	50	20	DDGD	
CCCC[C@@H](OC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)OC	837971103	LUHFQKYODZSHHS-FFXRNRBCSA-N	305.334	1.602	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(OC)c(SC)c1	839161578	PFEFWVRNNJOJKI-UHFFFAOYSA-N	313.379	1.606	50	20	DDGD	
CC(C)(CNCc1ccc(B(O)O)o1)c1cccc(Cl)c1	585019452	NBNGDARVYMEQDZ-UHFFFAOYSA-N	307.586	1.680	50	20	DDGD	
O=C(NNC(=S)Nc1ccc(Cl)nc1)C1CCOCC1	905569343	RCEVOVBLNQMWHY-UHFFFAOYSA-N	314.798	1.479	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)COc2ccc(C#N)cc2)CCCCO1	837309381	LLUBJVJCVOAYHS-MRXNPFEDSA-N	317.345	1.044	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2C[C@@H](C)n3ccnc32)n1	838691617	XBVJKNCPBLOFAI-BDAKNGLRSA-N	303.326	1.014	50	20	DDGD	
CCO[C@H](CCN(C)C)CNC(=O)[C@]1(C)C[C@@H]1Br	906941162	LZEDNCIXZWESAN-NTZNESFSSA-N	321.259	1.633	50	20	DDGD	
Cc1ccc2c(c1)[C@H](NC(=O)NNC(=O)[C@@H]1CCCCO1)CO2	836361102	KKVJCBQCUZGLOR-OCCSQVGLSA-N	319.361	1.328	50	20	DDGD	
CSCCONC(=O)NNc1cccc(Br)n1	838574642	JHLMQHJSCLYERE-UHFFFAOYSA-N	321.200	1.765	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc(OCC)c(C)c1	901966100	LHKXHTBAWFUFIM-UHFFFAOYSA-N	324.402	1.507	50	20	DDGD	
CN(Cc1nnc2n1CCC2)C(=O)[C@]1(C)C[C@H]1Br	905848850	AOLUABAHXJSVOC-PRHODGIISA-N	313.199	1.356	50	20	DDGD	
CCOc1ccccc1CCNC(=O)NNC(=O)C1CCC1	732247516	LWDHKMSOMPCSOM-UHFFFAOYSA-N	305.378	1.758	50	20	DDGD	
CN(C)c1ncnc2c1cc(C(=O)NCC(Cl)Cl)n2C	837646613	PWQQUIJOEPBZKS-UHFFFAOYSA-N	316.192	1.568	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H]2CSc3ccccc32)nc1O	735686835	ABVYNNQMONOZLA-SECBINFHSA-N	303.347	1.218	50	20	DDGD	
O=C(CCN1CCOCC1)NNc1cc(F)c(F)cc1F	734551712	QUAZTJDUXIQPRG-UHFFFAOYSA-N	303.284	1.269	50	20	DDGD	
CC(C)c1ccc(NNC(=O)C(C)(C)NS(C)(=O)=O)cc1	837054226	NAAXCMHYCUWJPZ-UHFFFAOYSA-N	313.423	1.581	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1	730595750	BXUINTCUSNJRMS-UONOGXRCSA-N	318.446	1.537	50	20	DDGD	
CO[C@H](c1ccc(F)cc1)[C@H](C)NCc1ccccc1B(O)O	585035918	ZUYSECHTJFCEQP-SJCJKPOMSA-N	317.169	1.371	50	20	DDGD	
C[C@H](Oc1cccnc1)C(=O)NNc1ccccc1C(=O)O	833543413	SIBVMENVBZVPGI-JTQLQIEISA-N	301.302	1.690	50	20	DDGD	
C[C@@H](OC1CCCCCC1)C(=O)NNC(=O)[C@H]1CCCCO1	833247333	ZSDUFCLXXUYVAZ-TZMCWYRMSA-N	312.410	1.831	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)CNc1ccc(C)cc1C	834931718	RGLGDJAGNFXCRN-UHFFFAOYSA-N	314.393	1.785	50	20	DDGD	
CCO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1ccccc1OC	836292056	LUHZSEAPAKGOKW-TZMCWYRMSA-N	321.377	1.597	50	20	DDGD	
COc1ccc(C(=O)NN(C)C[C@H](C)O)c(OCC(C)C)c1	910151730	DWQNJZJUTXFMHE-LBPRGKRZSA-N	310.394	1.687	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cn2ccnc12	831834175	BJVBYMAYMMJAIT-PWSUYJOCSA-N	317.349	1.220	50	20	DDGD	
CC(C)Cn1cnc(S(=O)(=O)NCCCSC#N)c1	916979449	MGWTZZRDBPXZEI-UHFFFAOYSA-N	302.425	1.422	50	20	DDGD	
C[C@H](COc1ccccc1)NC(=O)NNC(=O)[C@@H]1CCCCO1	837742537	CJIVAULGUIBDRZ-OCCSQVGLSA-N	321.377	1.353	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccc(N(C)C)c1)c1ccco1	741516867	MRSVREQTSPBNRO-NSHDSACASA-N	301.346	1.910	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@](C)(O)[C@H](C)c1ccccc1	747366763	LUMRZRUXZDFQDY-MLGOLLRUSA-N	307.394	1.672	50	20	DDGD	
Cc1ccc(-c2n[nH]cc2C=NNC(=O)C(=O)N2CCCC2)o1	748136081	AAXLNLAZCOLWGS-UHFFFAOYSA-N	315.333	1.051	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)[C@H]1Cc2ccccc21	743369036	XLZJZESWHSPNCW-ZDUSSCGKSA-N	316.382	1.873	50	20	DDGD	
CSC1(CNC(=O)NNC(=O)CC(C)C)CCOCC1	745868800	SNABWVIDCJZTBH-UHFFFAOYSA-N	303.428	1.275	50	20	DDGD	
COc1ccccc1OCCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843641630	TWBSIPZJOWWUAR-NWDGAFQWSA-N	322.361	1.037	50	20	DDGD	
CCOC(=O)NNC(=O)Cc1c(C)nc([C@H](C)CC)nc1C	847283848	OIZPMKXKBHDQCY-SECBINFHSA-N	308.382	1.927	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1ccc(C(=O)OC)c(F)c1	849176477	OIKUZTBXGCGAFH-XYOKQWHBSA-N	320.320	1.672	50	20	DDGD	
COCCS(=O)(=O)NNC(=O)c1cccc2ccccc12	741656522	XVETZGPGWYZOPW-UHFFFAOYSA-N	308.359	1.050	50	20	DDGD	
CC[C@](O)(CC(=O)NNC(=O)NCC1CC1)c1ccccc1	840287914	AALUTKPAEYZIJY-INIZCTEOSA-N	305.378	1.415	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)Cc2cc(O)nc(S)n2)C[C@H](C)C1	747751699	NKYXKAVPHBWSHR-DTORHVGOSA-N	308.407	1.942	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@H]2CCCN2C)cc1	748555885	WOWHFDZWLOGUQX-CYBMUJFWSA-N	307.419	1.329	50	20	DDGD	
O=C(C[C@@H]1CCS(=O)(=O)C1)NNc1ccc(F)cc1F	747357949	YVRGJASRUDPFRD-QMMMGPOBSA-N	304.318	1.233	50	20	DDGD	
Cc1nn(C(C)(C)C)c(C)c1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843974881	PJNOXHJJFMSBPV-NWDGAFQWSA-N	322.409	1.441	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(Br)o1	843641077	RCYRWFJZBUZFAQ-RNFRBKRXSA-N	317.139	1.228	50	20	DDGD	
C[C@H](Cc1ccc(C#N)cc1)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	847100961	XLKXTPOKZHLCBX-JMSVASOKSA-N	315.373	1.309	50	20	DDGD	
O=C(NN=Cc1cscn1)c1nn(-c2ccccc2)cc1O	918711592	SAVNFSVGLGGYKZ-UHFFFAOYSA-N	313.342	1.798	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CCn2cccc2)c1	746092677	BRVXNWUNSSDTOE-UHFFFAOYSA-N	301.346	1.413	50	20	DDGD	
COC(=O)/C=C/c1ccc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)o1	848412815	CTSJBUHRMJQUPP-RDMSFZLBSA-N	306.318	1.341	50	20	DDGD	
Cn1nc(C(=O)NN=Cc2ccccn2)c2ccccc2c1=O	916316015	IHLYRCHRXGYZKT-UHFFFAOYSA-N	307.313	1.092	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(CC(=O)OC)cc2)n[nH]1	846370376	IXMPTUWJYCFDGX-UHFFFAOYSA-N	302.334	1.445	50	20	DDGD	
CCn1cc(CN(C)S(=O)(=O)CC(C)(C)CCl)cn1	866790614	SGOQKZPYQUKOGX-UHFFFAOYSA-N	307.847	1.930	50	20	DDGD	
Cn1c(=NNC(=O)c2cn3cccnc3n2)sc2ccccc21	916724888	ZGPOXJZPPUCMRO-UHFFFAOYSA-N	324.369	1.528	50	20	DDGD	
Cc1nc2scc(C)n2c1C=NNC(=O)[C@H]1CCO[C@H]1C	842553031	DEKOQMZFLWJIIM-QWRGUYRKSA-N	306.391	1.888	50	20	DDGD	
CN(C)c1nccc(NNC(=O)CSCc2ccccn2)n1	740107064	AVNDCUVBRYGVFR-UHFFFAOYSA-N	318.406	1.314	50	20	DDGD	
C[C@H](CN)CNC(=O)NNC(=O)Cc1cccc2ccccc12	841962839	MEUFQJGKRWEDBZ-GFCCVEGCSA-N	314.389	1.308	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)c2cc3ccccc3o2)CCOC1	749569367	BUXIHSCWNUUJEV-INIZCTEOSA-N	317.345	1.803	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@H](CC(C)C)OC	841376765	ZPJGNWKQWHGIGN-CQSZACIVSA-N	324.377	1.283	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CCOC1	841625760	LNSKPMNQBYNKAS-ZANVPECISA-N	323.305	1.068	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)[C@H]2CCc3nnnn3CC2)c1	845855109	UZNRHPSKPOODNV-LBPRGKRZSA-N	300.366	1.386	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Cn2cc3ccccc3n2)c1	748538431	RIAVGAYZSNFSFY-UHFFFAOYSA-N	319.324	1.369	50	20	DDGD	
COc1ccc(CC(=O)NNC(=S)NC(C)(C)C)c(C)c1	929428645	UCZDYLREJVFETK-UHFFFAOYSA-N	309.435	1.840	50	20	DDGD	
O=C(NNc1ncccc1F)N[C@H]1CCCN2CCCC[C@H]12	848675285	WFEZDVQNIHJCGE-QWHCGFSZSA-N	307.373	1.864	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)C1CC1)n1cc(Br)cn1	843752131	KLVXPAJDYLQHOQ-SSDOTTSWSA-N	315.171	1.154	50	20	DDGD	
COc1cc(Cl)c(F)c(C(=O)NNC(=O)NC2CC2)c1	840288137	FOONMQZCTRUDHG-UHFFFAOYSA-N	301.705	1.594	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2ncnc(Cl)c2C(C)C)CC1	840548893	MZQUBGCPYYBEDY-UHFFFAOYSA-N	311.773	1.223	50	20	DDGD	
CC(C)c1nn(C)c(Cl)c1C(=O)NNC(=O)c1cnn(C)c1	741566964	APLPHNZWPDDISD-UHFFFAOYSA-N	324.772	1.005	50	20	DDGD	
CCCCSCC(=O)NNc1ccccc1S(N)(=O)=O	842262182	REZYVUGEHFXVMP-UHFFFAOYSA-N	317.436	1.310	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)Cc1nc(C2CC2)nn1C	846639188	KVYNYWQKXYYXAQ-UHFFFAOYSA-N	319.340	1.526	50	20	DDGD	
CCC[C@H](O)C(=O)NNC(=O)c1ccc(Cl)cc1OC	929585025	FHJNQRLSGYSMJT-JTQLQIEISA-N	300.742	1.271	50	20	DDGD	
COc1cc(C=NNC(=O)c2cc(C)[nH]n2)c2c(c1)C[C@H](C)O2	755793235	YTCNTJIALBMUEY-JTQLQIEISA-N	314.345	1.814	50	20	DDGD	
CN(C)C[C@@H]1CCN(C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	856952984	NOINQJLJJYLDIV-GMXVVIOVSA-N	318.259	1.753	50	20	DDGD	
CCO[C@H]1COCC[C@H]1NC(=O)NNc1ccc(C)c(F)c1	853989501	ZZJUJNPFLIZVFT-KGLIPLIRSA-N	311.357	1.954	50	20	DDGD	
CC(C)c1noc(CCC(=O)NNc2ncc(Cl)cn2)n1	857355986	RFUYEFFQPJJFGJ-UHFFFAOYSA-N	310.745	1.712	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNC(=O)c1ccc2c(c1)OCO2	858122319	SWCPLMRRDQHFIR-GFCCVEGCSA-N	308.334	1.382	50	20	DDGD	
O=C(Cc1ccc2n[nH]cc2c1)NNC(=O)OCC(F)(F)F	856020855	WUPZJJIXQLSLRB-UHFFFAOYSA-N	316.239	1.425	50	20	DDGD	
CC(C)(CNC(=O)/C(C#N)=C\c1ccc(F)cc1)S(C)(=O)=O	752516266	HRHAWAJBTYJPRQ-WQLSENKSSA-N	324.377	1.672	50	20	DDGD	
C[C@H](NC(=O)NC[C@@]1(C)C[C@@H]1Br)c1ncnn1C	856851525	FWCLSEJPCXFDKN-DKCNOQQISA-N	316.203	1.349	50	20	DDGD	
Cn1nc(C(F)(F)F)cc1C(=O)NNc1ncccc1F	857503491	LOEMAPZKFPEAAS-UHFFFAOYSA-N	303.219	1.730	50	20	DDGD	
C[C@@H](C[S@@](C)=O)NC(=O)NNc1cc(F)cc(Cl)c1	853981691	MRLJYODAZITPQO-ZDVLTJLQSA-N	307.778	1.872	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)Nc2cccnn2)c1	757660705	HYTOZJNQPMZOSO-UHFFFAOYSA-N	315.333	1.325	50	20	DDGD	
Cn1ccc(CNC(=O)NC[C@]2(C)C[C@@H]2Br)n1	856845028	ISRPTMXJDXNWLE-ONGXEEELSA-N	301.188	1.393	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)C(C)(F)F	855832310	AHKGHBNJXLYAQN-SECBINFHSA-N	321.368	1.368	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1cccc2c1OCCO2	756150468	SBUFWEWAVFBJLW-UHFFFAOYSA-N	314.301	1.319	50	20	DDGD	
CC(=O)NCc1ccc(NC(=O)NNC(=O)CC(C)C)cc1	756554122	NCCNQIUXQJCFCV-UHFFFAOYSA-N	306.366	1.522	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](c2cnn(C)c2)C(C)C)nn1	927415557	ZMJNKVYAQXYIME-CYBMUJFWSA-N	303.370	1.542	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc(C(F)F)nc1)C1CC1	855095524	OPPYWSYMEYQNMN-ZETCQYMHSA-N	314.361	1.927	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C	856739646	DIJRRHXLBROVAL-UHFFFAOYSA-N	317.323	1.103	50	20	DDGD	
C=C(C)[C@H](CC(=O)NNC(=O)c1ccc2c(c1)OCO2)OCC	755392379	HIHFXABSRFXGBJ-ZDUSSCGKSA-N	320.345	1.548	50	20	DDGD	
CCc1ccc(C(C)=NNC(=O)Cc2cc(O)nc(O)n2)o1	752165976	OASUKEZUFZUPDX-UHFFFAOYSA-N	304.306	1.126	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CSCCc2ccccc21	759191635	FNZMLYAIUWLIDN-UHFFFAOYSA-N	317.414	1.419	50	20	DDGD	
CC(C)O[C@@]1(CS(=O)(=O)N2CC=C(C#N)CC2)CCOC1	851777244	MNOVHURRGUXDLU-AWEZNQCLSA-N	314.407	1.056	50	20	DDGD	
CN1CC[C@H](C(=O)NC[C@]2(C)C[C@H]2Br)CC1=O	857400873	WXJBMGNGKQYKEM-SBMIAAHKSA-N	303.200	1.145	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@@H]1CCN2CCCC[C@@H]12	856841157	CHRUBCIICUMFFN-MNOVXSKESA-N	310.789	1.383	50	20	DDGD	
C[C@H](NC(=O)NC[C@]1(C)C[C@H]1Br)[C@@H]1CCCNC1	857103822	FOEBPFBTBDYLGA-WGBDABJCSA-N	318.259	1.847	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)no1	853378189	ULMWWMXWVSKJEK-TZMCWYRMSA-N	317.349	1.335	50	20	DDGD	
N#CCc1ccccc1CC(=O)NNc1cc(Cl)nc(N)n1	753457685	RYZAIAARJYYSIP-UHFFFAOYSA-N	316.752	1.464	50	20	DDGD	
CCCOc1cccnc1C(=O)NNC(=O)Cc1ccncc1	758549123	YTPVUWKGUUXMJI-UHFFFAOYSA-N	314.345	1.269	50	20	DDGD	
CN1CCC(NC(=O)NC[C@]2(C)C[C@H]2Br)CC1	856830144	GQPLMMLBEUBQAV-PWSUYJOCSA-N	304.232	1.553	50	20	DDGD	
C[C@]1(CNC(=O)N[C@H](CO)CC2CC2)C[C@@H]1Br	856896448	CHQBYHFPLWFXOM-JBLDHEPKSA-N	305.216	1.620	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@H](C)N2CCCC[C@H]2C)o1	752365899	XWAANLSXVYHWRX-NEPJUHHUSA-N	322.409	1.795	50	20	DDGD	
CC(C)(C)OC(=O)NC[C@H]1CCCC1=NNC(=O)c1cc[nH]n1	853392493	NENHPFXXOVJHNR-SNVBAGLBSA-N	321.381	1.820	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](C)Oc1ccc(F)c(F)c1	854926428	ZLFZHBFPSZGAAC-ZETCQYMHSA-N	303.334	1.199	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C(C)(C)c2ccccc2C)n[nH]1	869012578	WVJVRGKVNCKKLQ-UHFFFAOYSA-N	314.389	1.694	50	20	DDGD	
CC(=O)c1cccc(C(=O)NNC(=O)c2cccc(C#N)c2)c1	765416780	LKEQYCXNMAQHAI-UHFFFAOYSA-N	307.309	1.836	50	20	DDGD	
CS/C=C/C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	767654592	SZYFGUGSRTYWID-VOTSOKGWSA-N	308.359	1.176	50	20	DDGD	
Cc1cnn(-c2ccc(NC(=O)NNC(=O)C3CC3)cc2F)c1	764673993	PYDTZMKNGVKTID-UHFFFAOYSA-N	317.324	1.883	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@H]1CC12CCOCC2	863096275	BMVAKJUSQGBZBT-SSDOTTSWSA-N	302.243	1.622	50	20	DDGD	
CCS(=O)(=O)c1ccccc1C(=O)NN[C@@H](C)C(F)(F)F	862304342	AMGJVTMIABSBEW-QMMMGPOBSA-N	324.324	1.665	50	20	DDGD	
CCCn1cc(/C=C(\C#N)C(=O)NCCCOC(C)C)nn1	865217984	PEEGZIVLEGPDOX-UKTHLTGXSA-N	305.382	1.526	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(OC)c1C	861804304	NZSOLNOSBBOVST-SECBINFHSA-N	307.350	1.136	50	20	DDGD	
C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C/C=C\C#N)C1=O	763299415	ITEBTMZKJWWEHY-PYLYLYNFSA-N	300.274	1.442	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)COCc2ccccc2)o1	868291889	XPVFJRNJHCBXPO-UHFFFAOYSA-N	317.345	1.635	50	20	DDGD	
COCC(=O)NN=Cc1ccc(OC)c2oc(C(=O)OC)cc12	761818619	LUCYOLVBXOVAFE-UHFFFAOYSA-N	320.301	1.325	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)C2CCCC2)c1F	764067086	XARVKBYNWBCTQF-UHFFFAOYSA-N	307.325	1.410	50	20	DDGD	
CCC/C=C/C(=O)OCC(=O)NNC(=O)Cc1ccccc1C	767288737	YFHHORLPRBCVJE-BJMVGYQFSA-N	318.373	1.584	50	20	DDGD	
CNC(=O)[C@H]1CCCCN1S(=O)(=O)CC(C)(C)CCl	866479590	XFRXEDNWMSPOGG-SNVBAGLBSA-N	310.847	1.182	50	20	DDGD	
Cc1c[nH]cc1C(=O)NNC(=O)CSc1ccccc1O	764043166	PUACDBIBOIPURF-UHFFFAOYSA-N	305.359	1.582	50	20	DDGD	
Cc1ncc([C@H](C)NC(=O)NNC(=O)[C@H]2CCCCO2)s1	868935433	UYUYUUCEMJOIQO-WCBMZHEXSA-N	312.395	1.412	50	20	DDGD	
COc1ccsc1C=NNC(=O)CNC(=O)c1cccnc1	764700927	ULMYOBRHFSKQMR-UHFFFAOYSA-N	318.358	1.032	50	20	DDGD	
CC(C)(CC(=O)NNC(=O)Cc1cc[nH]n1)c1ccc(F)cc1	865199578	SEGVQUVTZZPEMB-UHFFFAOYSA-N	318.352	1.607	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CC(F)(F)F)c(C(C)(C)C)n1	768942690	NYQRIHBNGTZOGN-UHFFFAOYSA-N	306.288	1.431	50	20	DDGD	
COC[C@H]1CCCN1NC(=O)/C(C#N)=C\c1ccc(F)cc1	862603765	UKWJLCKOBKECPZ-UZGISAJGSA-N	303.337	1.875	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCCC(=O)OC(C)(C)C)o1	1118280778	SHTNUGBNVCFJIC-UHFFFAOYSA-N	310.350	1.861	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)C2(N(C)C)CC2)c1	873757233	YMVOUZXJGNNTPD-UHFFFAOYSA-N	306.435	1.715	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)/C=C\[C@H]2CCOC2)c1	874952063	LLQWXXFRWUSECC-FWWRYZNZSA-N	315.398	1.578	50	20	DDGD	
C[C@H]1C[C@@H]1CNC(=O)NNC(=O)c1nc2ccccc2s1	872826463	YAIQJOBSQAGTKF-DTWKUNHWSA-N	304.375	1.896	50	20	DDGD	
CCc1cccc2c(C=NNC(=O)COCCOC)c[nH]c12	872403659	RUKLZKLITXAVLK-UHFFFAOYSA-N	303.362	1.843	50	20	DDGD	
CC(C)[C@H]1CC(=NNC(=O)C(=O)Nc2ccccn2)CCO1	776778657	UOMZWTCPKFZOAW-GFCCVEGCSA-N	304.350	1.327	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)c2ccc[nH]2)c(C)nc1C	777091173	COYIRARZLKKYPJ-UHFFFAOYSA-N	300.318	1.304	50	20	DDGD	
COc1ccnc(NNC(=O)CN(C)CCc2ccccc2)n1	873984171	YBPLXPDEHIUGAE-UHFFFAOYSA-N	315.377	1.103	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C[C@@H]2CCC(=O)NC2)c1	873777526	SXFAHTOAKZCSAI-NSHDSACASA-N	320.418	1.229	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NO[C@@H]2CCCCO2)nn1	1116866054	VGYURTQVWUUPGL-GFCCVEGCSA-N	309.370	1.858	50	20	DDGD	
Cc1cccc([N+](=O)[O-])c1C(=O)NNc1cc(Cl)nc(N)n1	772540632	KEGRJLVNKYGNOB-UHFFFAOYSA-N	322.712	1.686	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1c(C)cc(C)cc1C	772238212	JCVVILVPLHXFKM-CYBMUJFWSA-N	320.389	1.643	50	20	DDGD	
Cn1cc(C(=O)NN=C2CCCc3ccc([N+](=O)[O-])cc32)cn1	773054224	PJBMETQXFFGGCK-UHFFFAOYSA-N	313.317	1.799	50	20	DDGD	
CC(=NNC(=O)C[n+]1ccccc1)c1ccc(Cl)c(N)c1	1117701885	FMQBIVUZEDZPJU-UHFFFAOYSA-O	303.773	1.750	50	20	DDGD	
C[C@@H]1CN(C[C@@H](C)C(=O)NN=C2CCCOCC2)C[C@@H](C)O1	770595609	GFVQOAIOBYJBSZ-MGPQQGTHSA-N	311.426	1.404	50	20	DDGD	
Cn1cc(NC(=O)C(=O)NNc2ccc3ccccc3n2)cn1	773662508	WUPQFHGOQOULFV-UHFFFAOYSA-N	310.317	1.050	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H](C(C)C)C2)cc1	1119740817	AEUJFBKBLOIBJG-UKRRQHHQSA-N	320.389	1.907	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cc(O)nc(C3CC3)c2)c1	771318805	CEXKQFGKRDWYEB-UHFFFAOYSA-N	322.324	1.611	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NC1(C(F)(F)F)CCC1	879380887	AFKAEEUHLUTZLB-HTQZYQBOSA-N	309.288	1.227	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H]1CCCN(c2cccc(F)c2)C1	875301843	FWBUKQDWIQGPAR-LBPRGKRZSA-N	324.356	1.707	50	20	DDGD	
O=C(NNc1ccc(F)cn1)C1CCN([C@@H]2CCSC2)CC1	874648690	YORQBZWMMOGYHL-CYBMUJFWSA-N	324.425	1.881	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1cccnn1	882057055	MFZBZMLFQPXYMF-JHJVBQTASA-N	302.378	1.844	50	20	DDGD	
C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NNC(=O)c3ccccc3F)CN2C1	1123573977	UGRDFHOSJCKFLR-UPJWGTAASA-N	319.380	1.707	50	20	DDGD	
N=C1NC(=O)[C@@H](CC(=O)NNc2c(F)cccc2Cl)S1	771672566	IDUDXIWNCCFLJX-SSDOTTSWSA-N	316.745	1.479	50	20	DDGD	
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NNC(=O)C(C)C	770333265	CVXBFUVPBMQTIC-UHFFFAOYSA-N	318.377	1.696	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccc(C)cc1)c1cc(C)nn1C	788979994	CFPBXMQRRJTWPF-UHFFFAOYSA-N	313.361	1.516	50	20	DDGD	
O=C(COC(=O)[C@@H]1CCCCS1)NNC(=O)c1ccccc1	783233847	JZJMUEQWIGVGFJ-LBPRGKRZSA-N	322.386	1.277	50	20	DDGD	
C[C@H](NS(=O)(=O)CCCCl)C(=O)Nc1ccccc1	881884804	YZSBQAQPKPEXBV-JTQLQIEISA-N	304.799	1.562	50	20	DDGD	
N#Cc1ccc(NNC(=O)NCCCOC2CCCC2)nc1	888006860	HTVISQHTGQTBLQ-UHFFFAOYSA-N	303.366	1.929	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(N2CCCC2)nc1	887143440	ZBJKDSQNLDTQPD-UHFFFAOYSA-N	300.362	1.246	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc(-c2ccccc2)[nH]1	883063173	GNTXHQMSTGMPAK-UHFFFAOYSA-N	313.357	1.869	50	20	DDGD	
C[C@@]1(c2cccc(C(=O)N3CC=C(C#N)CC3)c2)NC(=O)NC1=O	780690512	XWKRCAUNZAWYPQ-KRWDZBQOSA-N	324.340	1.037	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1cccc(C(F)F)c1	782478444	OQYVABHIHHTLHQ-UHFFFAOYSA-N	307.322	1.479	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCN1CCN(S(C)(=O)=O)CC1	788012322	JNJDAZZSPNTARS-UHFFFAOYSA-N	322.547	1.585	50	20	DDGD	
Cc1nn(C)c(C)c1NC(=O)[C@H](C)OC(=O)/C(C#N)=C\C1CC1	786667886	BONLFAOQVYLWMX-HKMIMPICSA-N	316.361	1.767	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1nc(C2CCC2)cs1	789721733	SVCADKLAIRTHSO-UHFFFAOYSA-N	324.406	1.543	50	20	DDGD	
COc1ccc(NNC(=O)NCc2ccc3c(c2)COC3)nc1	781012718	UTARUWXTQJWFSL-UHFFFAOYSA-N	314.345	1.947	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)c1cc2nn[nH]c2cc1F	781928916	HMQOGTDMMXSSQK-UHFFFAOYSA-N	323.291	1.797	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)NCC(C)(C)C#N)c1	781954055	BQSZZVKWQQFQFQ-UHFFFAOYSA-N	318.377	1.562	50	20	DDGD	
CO[C@@H]1CCOC[C@H]1NC(=O)NNc1c(F)cccc1Cl	898089124	MDHMESJPHHGAQX-GHMZBOCLSA-N	317.748	1.909	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)CC(C)(C)C#N)c1	781870276	LFHPYBDWEAMHSS-UHFFFAOYSA-N	305.334	1.405	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1	780470519	TYZCICWELCSNKH-UHFFFAOYSA-N	301.350	1.657	50	20	DDGD	
C#CCN1CCC[C@@H](NC(=O)NNc2cccc(F)c2F)C1	890371367	UBYJMZSRPCYOBA-LLVKDONJSA-N	308.332	1.689	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@H](C(C)C)N1CCCC1=O	788191903	ZCXCKYIPPQRPMD-HNNXBMFYSA-N	323.368	1.924	50	20	DDGD	
COCc1cc(C=NNC(=O)[C@@H](C)Oc2ccc(F)cc2)no1	794878521	PVKJSHJSDCHWIM-SNVBAGLBSA-N	321.308	1.878	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2ccc(OC(F)F)cc2)C(=O)O1	896338166	BMNIMGFHVNCVTQ-GMSGAONNSA-N	315.276	1.618	50	20	DDGD	
C[S@](=O)C1(CNC(=O)[C@H](Br)C(C)(C)C)CC1	799774608	DZDWPWYEDQGYAX-PWJLMRLQSA-N	310.257	1.823	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CC[C@H](C)C[C@@H]1n1cncn1	794519159	JTPTWZRTACUGDD-SCRDCRAPSA-N	323.397	1.163	50	20	DDGD	
C=C(CBr)COC(=O)[C@@H](NC(=O)COC)C(C)C	795519009	OQOSSVFKPSZYKX-NSHDSACASA-N	322.199	1.268	50	20	DDGD	
CC(=NNC(=O)Cc1cccnc1)c1ccccc1-n1ccnn1	794904440	GMHWEOGEJSSOPH-UHFFFAOYSA-N	320.356	1.745	50	20	DDGD	
CN(C)CC(=O)NN=Cc1c(F)ccc(Br)c1F	799878081	KTDQUIDSJLWUOI-UHFFFAOYSA-N	320.137	1.739	50	20	DDGD	
COCC[C@H]1CCCC1=NNC(=O)C(=O)Nc1ccccn1	799881834	YVVFTDAPJBWTLS-LLVKDONJSA-N	304.350	1.329	50	20	DDGD	
CC(C)[C@@H]1CCCC(=NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1	794499577	ZHFXZESOXRWFCB-YPMHNXCESA-N	315.439	1.675	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)Cc1cccnc1)c1cccnc1	797859376	BUEWWJYMMBRYTR-INIZCTEOSA-N	312.373	1.606	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	792789560	KXUORVXOKVKNIJ-BPNCWPANSA-N	322.361	1.035	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H](O)c1cccc(C(F)(F)F)c1	794611975	BFJAZKKUTTUNKG-SNVBAGLBSA-N	304.268	1.542	50	20	DDGD	
Cc1ccc2c(c1)CCN([C@@H](C)C(=O)NNC(=O)CC(C)C)C2	792313583	SXSGBDWKLQHQRE-AWEZNQCLSA-N	317.433	1.935	50	20	DDGD	
COC(=O)[C@H]1CC[C@H](C(=O)NNc2cccc(C#N)c2)CC1	797947408	RWYBZSIBGWAEMU-JOCQHMNTSA-N	301.346	1.981	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CC[C@]1(C)CCC(=O)N1	798313071	QZKMBEHAJJNWQF-INIZCTEOSA-N	318.377	1.597	50	20	DDGD	
CC(C)OC(=O)CCNC(=O)NNc1ccc(C(C)(C)C)nn1	1318581238	MUBAQYQXCYNJKG-UHFFFAOYSA-N	323.397	1.742	50	20	DDGD	
C[C@@H]1CC/C(=C/C(=O)NNC(=O)c2n[nH]c3c2CCCC3)C1	1319019724	BPCDHZUQPGGVAG-QLWWJYNRSA-N	302.378	1.796	50	20	DDGD	
O=C(NCCCN1CCCC1)C1CCN(C(=O)CCl)CC1	1319785955	QGSNFMNRMHFNAW-UHFFFAOYSA-N	315.845	1.066	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCc2cnn(C)c2C)cc1	1319517394	JIRAGBQSTBALRG-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
Cc1ccc(C)c2c1OCCC2=NNC(=O)[C@@H]1CCC(=O)N1	1329192117	SLGCHRMIVUCASD-LBPRGKRZSA-N	301.346	1.185	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1c(Cl)nc(OC)n1C	1326914223	CEKAOLUEOSKJNR-VQHVLOKHSA-N	312.757	1.142	50	20	DDGD	
CN(C)[C@@H](C(=O)NNc1ccn(C)n1)c1ccc(Cl)cc1	1329932755	FBADEKDNCHGOPS-CYBMUJFWSA-N	307.785	1.820	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cnc(C(C)(C)C)s1	1324230591	KYFULXFLPFSBMS-UHFFFAOYSA-N	300.453	1.958	50	20	DDGD	
Cn1cc(NC(=O)NNC(=O)CCO)c(C2CCCCC2)n1	1324611196	FFVAORGPBGWXRQ-UHFFFAOYSA-N	309.370	1.003	50	20	DDGD	
O=C(Cc1c[nH]c2cnccc12)NNC(=O)NC1CCCC1	1324897021	ILQRKDFKRPIAQO-UHFFFAOYSA-N	301.350	1.378	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2C[C@H]3CC[C@H]2[C@@H](O)C3)c1	1333641869	DJVMFTQBCDRJIW-DCAQKATOSA-N	309.391	1.256	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)Nc2ccccc2C)o1	1256495086	DRIGYKNLIPOBBE-UHFFFAOYSA-N	317.301	1.841	50	20	DDGD	
CC1(C)C[C@@H](C(=O)NNC(=O)COc2ccc(F)cc2)CCO1	1335444734	ODNMYQSTQYSQKW-NSHDSACASA-N	324.352	1.557	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)NCc2ccoc2)C[C@@H]1Br	1331358457	JFARQBBQIHPYLE-CABZTGNLSA-N	315.167	1.186	50	20	DDGD	
O=C(NCc1nc2c(s1)CCC2)NNc1ncccc1F	1263162912	AXQJQMIYIUSJML-UHFFFAOYSA-N	307.354	1.992	50	20	DDGD	
CC[C@H]1c2ccccc2CN1C(=O)NNC(=O)c1ncccn1	1263113731	ROWIMRFVFNEMHD-ZDUSSCGKSA-N	311.345	1.798	50	20	DDGD	
CC[C@@H]1C[C@@H](C(=O)NNC(=O)c2ccc(OC)cc2)CCO1	1341996158	ITJDMDLUGHEGGT-QWHCGFSZSA-N	306.362	1.661	50	20	DDGD	
Cn1cc(NC(=O)NNC(=O)[C@@H]2CCCCO2)c(C(F)F)n1	1347912930	RBBRGOCPLJGKJP-QMMMGPOBSA-N	317.296	1.080	50	20	DDGD	
C[C@H]1CNc2c(C(=O)NNc3c(F)cccc3F)cnn2C1	1263769429	YTCIDCSNNQMZFR-QMMMGPOBSA-N	307.304	1.980	50	20	DDGD	
O=C(CN1C(=O)CCC1=O)NNc1cccc(Cl)c1Cl	1346850236	UNSIBTJOBXAFKT-UHFFFAOYSA-N	316.144	1.586	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1	1600566573	ZRZLJLCEIRWVHT-GDLVEWKHSA-N	317.345	1.192	50	20	DDGD	
Cc1ccc(NNC(=O)c2cc3n(n2)CCCO3)cc1C(=O)O	1600461352	GMSOZKYZIGZGEH-UHFFFAOYSA-N	316.317	1.429	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NNc1ccc(F)c(C(=O)O)c1	1608137326	HCJWRCNMLFEMLW-NXEZZACHSA-N	318.308	1.504	50	20	DDGD	
O=C(NCc1ncccc1F)NNc1cccc(C(=O)O)c1	1601551976	KFAHCPWJUXRGLF-UHFFFAOYSA-N	304.281	1.745	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNc2ccc(C(=O)O)cn2)c1	1607763815	CZVZBLDTLWOHAB-UHFFFAOYSA-N	315.329	1.919	50	20	DDGD	
NC[C@H]1CCCC[C@@H]1NC(=O)NNc1cccc(C(=O)O)c1	1601187154	QWCVXCYKRNZHDX-YPMHNXCESA-N	306.366	1.528	50	20	DDGD	
Cc1cc(=NNC(=O)Nc2cc(C(=O)O)ccc2F)cc[nH]1	1607696058	XOERWVMJJMIRKS-UHFFFAOYSA-N	304.281	1.798	50	20	DDGD	
O=C(CCn1cc(Cl)cn1)NNc1ccc(C(=O)O)cn1	1608324331	YJQQSZFNYZMVOP-UHFFFAOYSA-N	309.713	1.163	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNC(=O)NCC(F)(F)F)c1	1600108284	AHABLJQXOUJQOZ-UHFFFAOYSA-N	319.239	1.200	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1cccc(C(=O)O)c1C	1600675332	TUYUWPPGOIUMLR-UHFFFAOYSA-N	317.305	1.191	50	20	DDGD	
CCc1nc(C)ncc1C(=O)NNc1ccc(CC(=O)O)cc1	1605848612	KHWSILABEVSAEL-UHFFFAOYSA-N	314.345	1.731	50	20	DDGD	
O=C(NN=c1cc[nH]c2cccnc12)Nc1cccc(C(=O)O)n1	1608484300	QHAPKVDCQWRNBC-UHFFFAOYSA-N	324.300	1.294	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCCc2ccccc2)cc1C(=O)O	1600945058	DWSNMRAPQQOMIU-DHDCSXOGSA-N	323.352	1.989	50	20	DDGD	
Cc1cccc(S(=O)(=O)NNC(=O)CC(C)C)c1C(=O)O	1600550549	SSBPMWOXXAENON-UHFFFAOYSA-N	314.363	1.049	50	20	DDGD	
O=C(COC[C@H]1CCCO1)NNc1ccc(C(=O)O)c(F)c1	1601338279	LAYYSYAXQQKHCA-SNVBAGLBSA-N	312.297	1.163	50	20	DDGD	
C=CCCC[C@@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)O	1602863352	NTJAITSSDIHCQR-FFXRNRBCSA-N	302.334	1.253	50	20	DDGD	
C=C(CCC(=O)O)C(=O)NNc1ccc(CC(=O)OC)cc1	1573338088	XJXBDDTUZANTRZ-UHFFFAOYSA-N	306.318	1.266	50	20	DDGD	
CNCCOc1ccccc1C(=O)NNc1ccc(C#N)cn1	1578715780	GKEKRXLTFMRQIP-UHFFFAOYSA-N	311.345	1.308	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2ccccc2C(=O)O)n1	1574181555	CCPPCUAZVIQUGD-UHFFFAOYSA-N	316.317	1.178	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2C[C@@H](F)CN2)c(C)c1	1574157028	ZPDLSHBAMAMRBO-ZYHUDNBSSA-N	310.398	1.321	50	20	DDGD	
CC(C)(CNC(=O)NNc1cccc(-c2nn[nH]n2)c1)C1CC1	1589281073	KMYVQIYBQNZZDX-UHFFFAOYSA-N	315.381	1.929	50	20	DDGD	
C[C@]1(C(=O)NNc2ncccc2C(=O)O)C[C@@H]1Br	1589181048	BKWOKUCFDHKOHC-CPCISQLKSA-N	314.139	1.396	50	20	DDGD	
NCCCCCC(=O)NNC(=O)c1nc(Cl)ccc1Cl	1580292795	RWYRLNSRZBFMGO-UHFFFAOYSA-N	319.192	1.669	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)C(C)(C)C(=O)O)c1	1593704628	XBPZSMMQWQQKTI-UHFFFAOYSA-N	308.338	1.334	50	20	DDGD	
Cn1c(C(=O)NNc2c(F)cccc2F)ccc1-c1nn[nH]n1	1592550194	XITJEQXICBOHOT-UHFFFAOYSA-N	319.275	1.240	50	20	DDGD	
O=C(NNc1ncccc1Cl)c1coc(-c2nn[nH]n2)c1	1593167474	ILTRQJROMXMBOE-UHFFFAOYSA-N	305.685	1.265	50	20	DDGD	
CCc1cccc(C(=O)NNc2ncccc2C(=O)O)c1O	1593640024	HKOWMGFTISBDDU-UHFFFAOYSA-N	301.302	1.805	50	20	DDGD	
C[C@]1(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)CCNC(=O)C1	1593816267	KHJBLCHPWAHUHQ-AWEZNQCLSA-N	322.273	1.115	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)cc(C)c1C=NNC(=O)C(C)(C)C	1591839295	JQFRBOVWFBDWRO-UHFFFAOYSA-N	300.366	1.980	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@H]1CCO[C@@H](C)C1	1599376610	XGNLXUUEGJGFPC-UWVGGRQHSA-N	308.334	1.652	50	20	DDGD	
CO[C@@](C)(C(=O)O)C(=O)Oc1ccc([N+](=O)[O-])c2ncccc12	1593933509	HYRAZRZRZLPIRW-AWEZNQCLSA-N	320.257	1.538	50	20	DDGD	
C[C@](O)(Cc1ccccc1)C(=O)NNc1ccccc1C(=O)O	1593420432	URUGOBSTEVBUAP-KRWDZBQOSA-N	314.341	1.822	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@H]1CCO[C@H](C)C1	1599376609	XGNLXUUEGJGFPC-NXEZZACHSA-N	308.334	1.652	50	20	DDGD	
C/C=C/C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](Cl)CC)CCO2	1783061997	BWCMWPWZLFHRGL-VAIBOMDZSA-N	314.813	1.410	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl)[C@H]1C[C@@H]1F	1796810669	VPGWELWMPHDWJK-HQPKYVJOSA-N	306.740	1.517	50	20	DDGD	
C[C@@H]1CCCCN1CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	16484607	VSXFZXYWAXJOHG-LLVKDONJSA-N	320.349	1.230	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1	161020776	TYAMURBPANPGKP-UHFFFAOYSA-N	317.349	1.019	50	20	DDGD	
CC[C@@H](C(=O)NNc1cnc2ccccc2n1)N1CCCC1=O	163631252	SZUOREOLBKSMBM-ZDUSSCGKSA-N	313.361	1.474	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCc2cccc([N+](=O)[O-])c2)[nH]n1	153371354	RIFKOYMBFVKWRK-UHFFFAOYSA-N	317.305	1.020	50	20	DDGD	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNc1ncc(F)cn1	157554385	TYNVVEQUVBSLRH-ZZXKWVIFSA-N	303.253	1.680	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NOCCC(F)(F)F)s1	154055150	PLYSOLOKZMBKNH-UHFFFAOYSA-N	311.285	1.885	50	20	DDGD	
Cc1csc(-c2ccc(NC(=O)NNC(=O)CCO)cc2)n1	155953547	NUAIKUDNICWSBL-UHFFFAOYSA-N	320.374	1.654	50	20	DDGD	
O=C(NNc1ncccn1)N[C@H]1CCOC2(CCCCC2)C1	157447595	LKABPTVWFCTVIM-LBPRGKRZSA-N	305.382	1.985	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@H]1COc2ccccc2C1	123870654	GIXHMMIFLWINIP-GFCCVEGCSA-N	303.811	1.929	50	20	DDGD	
O=S(=O)(NC[C@H]1CC[C@@H](O)C1)c1ccc(CCl)cc1	311527719	GHQOEYXEUBOYAL-NWDGAFQWSA-N	303.811	1.865	50	20	DDGD	
COCCOc1ccc(Cl)cc1C(=O)NNc1ncccn1	176017197	RIMHIFQWKOKWRZ-UHFFFAOYSA-N	322.752	1.912	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	58619610	URQRVSNELUFLKU-UHFFFAOYSA-N	311.338	1.066	50	20	DDGD	
CCCN(CCC)C(=O)CCC(=O)NNC(=O)c1cccn1C	104825311	SKVTUIMZGCUUAR-UHFFFAOYSA-N	322.409	1.215	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCc2ccccn2)cc(C#N)n1C	25671977	SEHJYKFHLYJSSZ-VGOFMYFVSA-N	305.341	1.824	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC[C@@H]2CCC[C@H](C)C2)n1	56814992	SPLIEYCZCABOIY-SMDDNHRTSA-N	321.425	1.657	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccccc1OC1CCC1	118335696	MZARGWACXQSJMU-UHFFFAOYSA-N	314.345	1.724	50	20	DDGD	
Cc1ccc(C2(C(=O)NNC(=O)N(C)C)CCOCC2)cc1	110670955	HBJYADHUAOEIBU-UHFFFAOYSA-N	305.378	1.346	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1cccc(CN2CCCC2)c1	60561208	UNLINKWGOMFTBO-UHFFFAOYSA-N	324.384	1.752	50	20	DDGD	
C[C@H]1CCC[C@@H](OCC(=O)NNC(=O)NCc2ccco2)C1	112631626	ZRFJNGOGGAVTMF-NWDGAFQWSA-N	309.366	1.705	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)NCC)cc1OCC	65191129	JTXUBQYWDRCGQX-UHFFFAOYSA-N	309.366	1.838	50	20	DDGD	
Cc1cc(NNC(=O)CCn2cnc3ccccc3c2=O)ncn1	172281629	NTZSOJOZFIHZSP-UHFFFAOYSA-N	324.344	1.028	50	20	DDGD	
O=C(Cc1ccoc1)NNC(=O)c1ccc2c(c1)OCCO2	119203413	FMKXNNJMZGIQTQ-UHFFFAOYSA-N	302.286	1.055	50	20	DDGD	
CCc1[nH]c(C(=O)NNc2cc(C)ncn2)c(C)c1C(=O)OC	172277980	ZSQQQKJEWALTCM-UHFFFAOYSA-N	317.349	1.527	50	20	DDGD	
CCOc1cccc(/C=N/NC(=O)C[n+]2ccccc2)c1O	28351442	KHPYXLYCODFPRU-UHFFFAOYSA-O	300.338	1.229	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ccc(Cl)c(F)c2)nc1	175435464	ICJNBAVFJULZNV-UHFFFAOYSA-N	308.700	1.730	50	20	DDGD	
O=C(NCCOc1ccc(Cl)cn1)NNC(=O)c1ccc[nH]1	119760239	CPFNMVAFWASRAG-UHFFFAOYSA-N	323.740	1.086	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1	119033673	NGZRRSFWVVPQHA-ZCFIWIBFSA-N	321.380	1.320	50	20	DDGD	
O=C(NNC(=O)[C@@H]1SCCc2sccc21)c1cccnc1	173034645	HDYJGXFRVRKWDM-GFCCVEGCSA-N	319.411	1.935	50	20	DDGD	
O=C(CN1CCC[C@@H]1CCc1ccccc1)NNC(=O)C1CC1	112977276	XMSAROGVHHRJOG-MRXNPFEDSA-N	315.417	1.641	50	20	DDGD	
CC(=O)NCCCNC(=O)NNc1cc(F)c(F)cc1F	115799793	DYYBJHNGXADHCO-UHFFFAOYSA-N	304.272	1.256	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2c(O)cccc2F)c1	118995213	USLASXIGQYWWLS-UHFFFAOYSA-N	318.304	1.680	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cnn(Cc2ccccc2)c1	122635616	RTUKCXZDTLQQBV-UHFFFAOYSA-N	312.308	1.617	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1csc2c1CCCC2	65206730	FURIPBYEHDKILF-UHFFFAOYSA-N	311.407	1.607	50	20	DDGD	
CCN(CC)[C@H]1CCN(C(=O)NNC(=O)c2ccc(C)s2)C1	175914760	QEPCPUPMFSEBBS-LBPRGKRZSA-N	324.450	1.827	50	20	DDGD	
C[C@@H]1CN(C)c2ccccc2N(CC(=O)NNC(=O)C2CC2)C1	128770027	SJNWJPGGKASPMK-GFCCVEGCSA-N	316.405	1.136	50	20	DDGD	
C=CCc1ccc(OCC(=O)NNC(=O)NCC)c(OC)c1	65190953	YCDBYORHFMRCHH-UHFFFAOYSA-N	307.350	1.153	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)COc1cccc(C)c1	184202333	WJBSVUNLYNHRQK-UHFFFAOYSA-N	308.378	1.584	50	20	DDGD	
CN(CCc1ccccn1)CC(=O)NNC(=O)c1cccs1	123427146	GFGDVRSXWXXVKZ-UHFFFAOYSA-N	318.402	1.079	50	20	DDGD	
C[C@@H]1CCCCN1CCCCNC(=O)NNC(=O)c1ccc[nH]1	128744417	MRCFRSFSZXLIOJ-CYBMUJFWSA-N	321.425	1.613	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CC[C@H](C)[C@H](C)C1	122932781	ZXPHCEKFLUNACW-DZGCQCFKSA-N	317.433	1.663	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	184895641	LQGWRPIZKAMPRD-ZDUSSCGKSA-N	302.330	1.023	50	20	DDGD	
CSCC[C@H](C)NC(=O)NNc1ccc(-n2cccn2)nn1	77643903	DOXRLDOOSNHFEE-JTQLQIEISA-N	321.410	1.430	50	20	DDGD	
COCc1nc(C)c(C(=O)NNc2cccc(OC)n2)s1	180728095	IMQSCFFCCCNJKX-UHFFFAOYSA-N	308.363	1.758	50	20	DDGD	
C[C@@H](CN1CCCCC1)NC(=O)NNC(=O)c1ccccc1	79293691	MDEKOZMKKVRJEG-ZDUSSCGKSA-N	304.394	1.505	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)N[C@@H]1CCC[C@@H]1CCO	188384506	OSONCBZHDPSKSQ-BXUZGUMPSA-N	323.368	1.250	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](CC)c1cc(F)ccc1F	77873033	BHXIWFVEVJYMAD-LBPRGKRZSA-N	315.320	1.783	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1)N(C)C	126323895	XNMLGHAGIXIXHL-GXFFZTMASA-N	311.357	1.081	50	20	DDGD	
CO[C@H](C)CCC(=O)NNC(=O)CNc1ccc(C)cc1C	180778128	SLTRXPUAQLSQPW-CYBMUJFWSA-N	307.394	1.678	50	20	DDGD	
CC(=O)c1cccc(OCC(=O)NNc2ccnc(F)c2)c1	182514168	LZBLTIAJULYVDC-UHFFFAOYSA-N	303.293	1.945	50	20	DDGD	
CCNC(=O)NNC(=O)CCc1nnc(-c2ccsc2)o1	139204451	OXQAQFSHRLBQCT-UHFFFAOYSA-N	309.351	1.081	50	20	DDGD	
COc1cc(C)cc(C(=O)NNC(=O)c2ccc(C)o2)c1O	84411130	RSEOXBFBLNGTPH-UHFFFAOYSA-N	304.302	1.685	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNc1nc2ccccc2c(=O)[nH]1	137166391	HCSFMRQRVQALCC-SNVBAGLBSA-N	304.350	1.571	50	20	DDGD	
COc1nccnc1NNC(=O)c1csc(-c2ccco2)n1	131809735	KWVWTTXSEVMFPD-UHFFFAOYSA-N	317.330	1.959	50	20	DDGD	
CCc1nn(C)c(Cl)c1C(=O)NNc1nccnc1OC	131758765	RMUPYLNKFYEKIC-UHFFFAOYSA-N	310.745	1.191	50	20	DDGD	
O=C(C#Cc1ccccc1)NNC(=O)COCc1ccccc1	81793231	JXMKMLYSJDQRBB-UHFFFAOYSA-N	308.337	1.402	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccnn2C(C)(C)C)[nH]n1	190450379	RBFKYBRTKRFJNE-UHFFFAOYSA-N	305.342	1.136	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C\c2cccc3c2OCCO3)n1	255527258	GXHATCDNGSAVCW-XFXZXTDPSA-N	310.313	1.737	50	20	DDGD	
COc1ccc(NNC(=O)CN2CCCCCCC2=O)cc1	267060361	ZCVHKYXKROSVOQ-UHFFFAOYSA-N	305.378	1.931	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC(C)C)ccc1-n1cncn1	266082301	NVGCNSQGBJWFIP-UHFFFAOYSA-N	301.350	1.383	50	20	DDGD	
CSCCCNC(=O)NNC(=O)COc1ccc(C)cc1	265558887	LHMHUMWVFULHIX-UHFFFAOYSA-N	311.407	1.457	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cccc(C(=O)O)c1C	268664902	YAUPVPQOCGPCFW-QMMMGPOBSA-N	314.363	1.049	50	20	DDGD	
CSCCNC(=S)NNC(=O)COc1ccc(F)cc1	269882125	YXNDZLDSTLICRI-UHFFFAOYSA-N	317.411	1.063	50	20	DDGD	
CCOc1cc(CNC(=O)NNC(=O)C(C)(C)C)ccc1OC	265163132	RWHUPVSGVDQRHT-UHFFFAOYSA-N	323.393	1.970	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)/C=C/CN(C)C	265688803	XZEKLFOGNSZFSQ-SNAWJCMRSA-N	311.769	1.227	50	20	DDGD	
O=C(NNc1ccncc1)c1ccccc1CN1CCOCC1	273050674	WQSABLPKOAYIBX-UHFFFAOYSA-N	312.373	1.671	50	20	DDGD	
O=C(CO)NNC(=O)c1ccc(-c2cccc3cccnc23)cc1	368574990	MHHLFRHDHSLEHL-UHFFFAOYSA-N	321.336	1.655	50	20	DDGD	
C=CCS(=O)(=O)CCNC(=O)NNc1ccccc1Cl	272856385	ORANEKPTEDBSEG-UHFFFAOYSA-N	317.798	1.567	50	20	DDGD	
Cc1ccc(NNC(=O)c2cn(C)nc2-c2cnn(C)c2)cc1	368734434	UQGIBXDAUGHPHA-UHFFFAOYSA-N	310.361	1.886	50	20	DDGD	
CN1CCC[C@H]1C(=O)NNC(=O)NCc1ccc(Cl)cc1	276174558	JXABJMOWDOKIQC-LBPRGKRZSA-N	310.785	1.265	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1noc2c1CCCC2	288855569	OWCHJYNSCUZECQ-UHFFFAOYSA-N	308.382	1.820	50	20	DDGD	
Cc1nnc([C@H](C)NC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)[nH]1	286297188	HZNNCCLETGNFGI-DHIBQTOVSA-N	323.360	1.416	50	20	DDGD	
O=C(C[C@@H]1COCCN1)NNc1ccccc1C(F)(F)F	285624687	CPBPNJOSIUABSI-SECBINFHSA-N	303.284	1.527	50	20	DDGD	
COc1cccc(NNC(=O)c2cnc(C3CC3)nc2N)n1	288434095	HMWMAEZGTUDEFD-UHFFFAOYSA-N	300.322	1.097	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)C1	286610750	IJZLJZHSUJFFAL-IFQILLTASA-N	324.352	1.556	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCCCOC(C)C)n1	280164255	FVMIYZFYKFDPKD-UHFFFAOYSA-N	308.382	1.539	50	20	DDGD	
COCC1(C(=O)NNC(=O)COc2ccc(C)cc2)CCC1	284513198	YYVXUUWQLJGKPO-UHFFFAOYSA-N	306.362	1.338	50	20	DDGD	
O=C(NNc1ncncc1F)N[C@H]1C[C@H]1Cc1ccccc1	292502699	COBIXIJMMDKCFE-YPMHNXCESA-N	301.325	1.873	50	20	DDGD	
CCCN(NC(=O)CCn1ccccc1=O)C(=O)OC(C)(C)C	804593371	FORHXHMWJMEZRA-UHFFFAOYSA-N	323.393	1.917	50	20	DDGD	
CC[S@@](=O)CC(=O)NNC(=O)c1ccc(Cl)cc1F	295453113	YBCMKLRGJFFLCS-LJQANCHMSA-N	306.746	1.009	50	20	DDGD	
C[C@@H](CCc1ccco1)NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	297656057	IQCXVKMEOCJXPW-GVXVVHGQSA-N	309.366	1.499	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c2c(C)noc2n1	294215094	LYZHXKYNMOXZMJ-KWQFWETISA-N	318.333	1.168	50	20	DDGD	
CC(=O)NCCNS(=O)(=O)c1ccc(CCCCl)cc1	299681206	SZJZWBVIFSGDMR-UHFFFAOYSA-N	318.826	1.272	50	20	DDGD	
C#CCCOc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	295615562	OJCBPFOVKJVUQW-WFASDCNBSA-N	316.357	1.417	50	20	DDGD	
CC[C@@H](C)[C@H](CNC(=O)NNC(=O)c1cccc(C)n1)OC	296895402	NAMZMPMUISKXTH-MFKMUULPSA-N	308.382	1.395	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CC[C@@H](O)C12CCCC2	292390433	BTOXFAAFXWFORS-CQSZACIVSA-N	317.389	1.729	50	20	DDGD	
C[C@@H]1CC(=O)N[C@H](C(=O)NNc2nc(-c3ccccc3)no2)C1	293573759	CRLDJUFTMMSTOS-ONGXEEELSA-N	315.333	1.094	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H](CO)C1CCCC1	290775402	RLJFRVVLDLOPBG-ZDUSSCGKSA-N	321.377	1.190	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)COc2ccc(C#N)cc2)no1	804030505	JDXOZHGGJHLVJW-UHFFFAOYSA-N	315.289	1.086	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN(c2ccccc2Cl)C1)NC1CC1	290537692	PBHJLRPHTZPJIZ-JTQLQIEISA-N	322.796	1.659	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)c2cn(C)c(C)n2)cc1OC	800804820	JGZPMIWEIKYRID-UHFFFAOYSA-N	316.361	1.900	50	20	DDGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(C)cn2)cc1	800792897	ICGHAHCGISQGTI-MDWZMJQESA-N	323.356	1.668	50	20	DDGD	
C[C@@H]1CN(CCOC(=O)/C(C#N)=C\c2ccc(O)cc2)CCO1	800180232	ZDWSEWISDXDCFT-NWFCWYBLSA-N	316.357	1.563	50	20	DDGD	
CCC1(CC)C(=O)NCCC1=NNC(=O)NCc1ccco1	819807033	HSCQARPSFHCAMB-UHFFFAOYSA-N	306.366	1.761	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)CC1)c1cccc(Cl)c1	814732338	IDUNCSHLLPOFES-UHFFFAOYSA-N	300.767	1.634	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1C[C@H](CO)c2ccccc21	814679594	SZIKUPJLARNMSR-CHWSQXEVSA-N	319.405	1.165	50	20	DDGD	
C#CCOc1ccccc1CNC(=O)NNc1ncncc1F	814301870	HMIUUMHEVSDVPM-UHFFFAOYSA-N	315.308	1.454	50	20	DDGD	
Cn1nc(NC(=O)NNc2ccc(Cl)nn2)cc1C1CC1	810279201	SEVYFPLCAQOUEB-UHFFFAOYSA-N	307.745	1.890	50	20	DDGD	
CN(C)CC(C)(C)CNC(=S)NNC(=O)C1CCCC1	727073222	AFRLYDAQFARRFL-UHFFFAOYSA-N	300.472	1.260	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)C(=O)Nc1ccnn1C	813048521	YKBWWGDCSHDFNG-UHFFFAOYSA-N	315.377	1.934	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H](C)Sc1ccc(F)cc1	822547109	HODCJRCKBYUQHM-MRVPVSSYSA-N	301.412	1.774	50	20	DDGD	
C[C@@H]1CCCCN1C(=O)NNC(=O)CNC(=O)c1cccs1	725872758	GPHKFBLAKHSZPN-SNVBAGLBSA-N	324.406	1.093	50	20	DDGD	
CC(=NNC(=O)CCNC(=O)OC(C)(C)C)c1cncc(F)c1	495186079	CHUBKQSHICZDSW-UHFFFAOYSA-N	324.356	1.976	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CCN(C)C(=O)OC(C)(C)C	495676439	HNPSEBONHKTRRH-UHFFFAOYSA-N	301.387	1.437	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccccn1	496354794	BPMYXPFOXHBPQZ-ZDUSSCGKSA-N	316.361	1.448	50	20	DDGD	
COc1ccc(Cl)cc1NCC(=O)NNC(=O)c1ccc[nH]1	727097939	ANAJOIFSXSLANH-UHFFFAOYSA-N	322.752	1.550	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2ccsc2C(F)F)n[nH]1	823367694	BMGNEIUMNJXELM-UHFFFAOYSA-N	314.317	1.721	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCc1ccon1)c1ccccc1	827184939	JUKMSEHFSCCDJN-AWEZNQCLSA-N	301.346	1.948	50	20	DDGD	
CCCCC[C@@H](O)C(=O)NNc1ccc(C(F)(F)F)nn1	827684030	BTBDZMOKRCUBQV-MRVPVSSYSA-N	306.288	1.880	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@H]1CCCN(CCc2ccccc2)C1	823924321	ZBEDEDSIUSXMMM-WBVHZDCISA-N	319.449	1.285	50	20	DDGD	
CCCNC(=O)/C(C#N)=C/c1ccc(-c2nn[nH]n2)cc1F	821114468	SZENAHXEJMYNJS-IZZDOVSWSA-N	300.297	1.439	50	20	DDGD	
Cn1c(=NNC(=O)c2cnn3c2CCC3)sc2ccccc21	822363050	PSSOGYDJTVVBPN-UHFFFAOYSA-N	313.386	1.628	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cnc(-c2ccccc2)nc1	490610841	MZLRKJJTEUAWIC-DHDCSXOGSA-N	308.341	1.813	50	20	DDGD	
OB(O)c1ccc(CNCCCOc2ccc(F)cc2)c(F)c1	585019059	AFKRWHFMNUDNPM-UHFFFAOYSA-N	321.132	1.203	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NN(C)[C@H](C)CO)cc1	823977103	OHCJHQQQDIQXSK-OJLMPMFISA-N	303.362	1.336	50	20	DDGD	
CCN(CC)[C@H](C(=O)N1CC[C@@H](B(O)O)C1)c1ccccc1	585068596	CJYLLJSOPOEFMJ-CABCVRRESA-N	304.199	1.145	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC(COC)COC)cc1	491087324	WXTUAQXMCGERKR-NTEUORMPSA-N	318.373	1.770	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCc1ccc(C)o1	731497817	GANZZDUSHMYVTG-UHFFFAOYSA-N	317.345	1.783	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCN(c3ccccc3)C2)o1	826757968	IKKVDQNFLGEZIC-CYBMUJFWSA-N	313.357	1.876	50	20	DDGD	
C[C@H](CCOCc1ccccc1)NCc1ccccc1B(O)O	585041690	SJLZXJITMWYJNY-OAHLLOKOSA-N	313.206	1.451	50	20	DDGD	
O=C(/C=C/c1cccnc1)NNc1ccc(-c2nn[nH]n2)cc1	826403262	NSEZXHNFDWWQCY-FPYGCLRLSA-N	307.317	1.418	50	20	DDGD	
COc1c(C)cccc1CNCc1ccc(B(O)O)cc1F	585045806	MNCKJEUHNHQECB-UHFFFAOYSA-N	303.142	1.112	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc2c(c1)NC(=O)CCS2	823838803	WBHMLTMUMDGIRA-UHFFFAOYSA-N	309.391	1.080	50	20	DDGD	
C[C@]1(C(=O)N2CCO[C@H](c3ncon3)C2)C[C@H]1Br	907306119	HMOJPZXPGWLXFQ-RNSXUZJQSA-N	316.155	1.143	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cccc1[N+](=O)[O-]	831068240	ODDBJRNZLKTWGA-VHSXEESVSA-N	322.321	1.481	50	20	DDGD	
N#Cc1cccc([C@@H](NNC(=O)CCc2ccco2)C(=O)O)c1	833075139	IDCCOEZCILUSKQ-OAHLLOKOSA-N	313.313	1.531	50	20	DDGD	
CCOC1(C(=O)NNc2cc(C#N)cc(Cl)n2)CCOCC1	831543716	LLFFWLVLVVVFQS-UHFFFAOYSA-N	324.768	1.635	50	20	DDGD	
CCN(CC)CCOc1cccc(NC(=O)NNC(=O)OC)c1	903456947	SBTQQMMEJUOEKF-UHFFFAOYSA-N	324.381	1.800	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)NCCNC(=O)C1CC1	837361854	VDSGFBQHNNRVLM-UHFFFAOYSA-N	310.785	1.801	50	20	DDGD	
C[C@]1(C(=O)NC[C@H](O)C2CCOCC2)C[C@H]1Br	907013010	MLYTXIBPYRVPKO-UMNHJUIQSA-N	306.200	1.064	50	20	DDGD	
C[C@@H]1C[C@H]1c1ccc(CCC(=O)NNC(=O)Cc2cc[nH]n2)o1	730103143	YIDMPSSPBRCBKS-ZWNOBZJWSA-N	316.361	1.449	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)C[C@H]1Br	907207906	RWNASZIKHGFDJC-VCDKRKBESA-N	318.211	1.614	50	20	DDGD	
O=C(NC[C@H]1CCCC(F)(F)C1)NNC(=O)[C@@H]1CCCCO1	836443603	IBFVXIUWDDCTMD-QWRGUYRKSA-N	319.352	1.711	50	20	DDGD	
CCn1c(NNC(=O)Cc2cccnc2)nc2ccccc2c1=O	731894451	SEHNQVNSBCGNSY-UHFFFAOYSA-N	323.356	1.497	50	20	DDGD	
CC[C@@H]1CC[C@@H](C)N1CC(=O)NNC(=O)c1ccc(C#N)cc1	839536288	NSPRPDPKXICOGB-IUODEOHRSA-N	314.389	1.582	50	20	DDGD	
COCCCNC(=O)NN=Cc1c[nH]c2ccc(C(=O)O)cc12	737762459	FUYUXRXDSQIWKP-UHFFFAOYSA-N	318.333	1.536	50	20	DDGD	
CCC(=O)NN[C@H](C(=O)OC)c1ccc(C(F)(F)F)cc1	905746989	GXABRMZMNZRPCY-NSHDSACASA-N	304.268	1.950	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccccc1OCC(C)C	834974172	UWXQVHOFZDPIBN-UHFFFAOYSA-N	307.350	1.528	50	20	DDGD	
CCn1ccnc1[C@@H](C)NC(=O)NNc1ncncc1Cl	836628682	VKJTYSFYBXVUHK-MRVPVSSYSA-N	309.761	1.734	50	20	DDGD	
C[C@H](CCc1ccc(F)c(F)c1)NCc1cccc(B(O)O)c1	585023597	JVHANHXFCZWNGI-GFCCVEGCSA-N	319.160	1.756	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NOC2CCC2)c(OC)c1	836285503	JVFDQYCQXYWTKU-UHFFFAOYSA-N	309.322	1.132	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)NNC(=O)Nc1ccc(Cl)cc1	908051194	JZHRBYLNBRFMFZ-LLVKDONJSA-N	324.768	1.504	50	20	DDGD	
COC[C@H](Cc1ccccc1)NC(=O)NNc1ccncn1	836339333	QAQKLNFZJCVZCF-ZDUSSCGKSA-N	301.350	1.360	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNC(=O)C2CC2)ccc1[N+](=O)[O-]	839461188	MYOVBYONYFDRDX-UHFFFAOYSA-N	307.306	1.553	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)C#CC2CC2)c1	837603290	FHWXPNLMPLXWCS-UHFFFAOYSA-N	307.737	1.915	50	20	DDGD	
CC(C)SCC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	733110956	YLXISYVMBOBLGN-UHFFFAOYSA-N	318.402	1.775	50	20	DDGD	
CON(C)C(=O)CCC(C)=NNC(=O)CNc1ccccc1	834920170	HVKCOEYPCNPEID-UHFFFAOYSA-N	306.366	1.391	50	20	DDGD	
OB(O)c1ccc(CNc2ccccc2N2C[C@H]3CC[C@H]2C3)o1	585038414	DLOHJXKCUPNXBT-STQMWFEESA-N	312.178	1.560	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1	731185093	FIROIDXGICVWGC-AWEZNQCLSA-N	317.389	1.342	50	20	DDGD	
CO[C@H](C1CC1)[C@H](C)NC(=O)NNC(=O)Cc1ccc(F)cc1	836640143	CARIIXPHTHBPBC-BONVTDFDSA-N	323.368	1.512	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CN1[C@@H](C)CC[C@@H]1C	746240161	LPUYVHWEHCRFPF-RYUDHWBXSA-N	305.378	1.329	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC(F)(F)F)n2nc(C)cc2n1	918367347	SUFJIFINZKZBBS-UHFFFAOYSA-N	315.255	1.060	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2c(F)cccc2F)cn1	748175245	DDSPVDGBHDKZSX-UHFFFAOYSA-N	307.256	1.903	50	20	DDGD	
O=C(O)c1cc(OC(=O)[C@H]2C[C@H]3CC[C@H]2O3)ccc1[N+](=O)[O-]	740087426	MHCNCEOENDHBQR-INNHCVQGSA-N	307.258	1.766	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)n1	847442003	FZFVIVVORYTSFU-KGLIPLIRSA-N	318.425	1.736	50	20	DDGD	
C[C@H](CCCCN)NC(=O)NNC(=O)c1cc2c(s1)CCC2	841993460	DLVDXXITISSTKC-SNVBAGLBSA-N	324.450	1.698	50	20	DDGD	
CCOc1ccc(NNC(=O)NC[C@H]2CNCCCO2)cc1	842010951	NEHBPZONSZPCCP-CQSZACIVSA-N	308.382	1.090	50	20	DDGD	
CCCOc1cccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	843641949	DRBPBSFEDIZOSL-RISCZKNCSA-N	306.362	1.661	50	20	DDGD	
CCCN(NC(=O)C(C)(C)CNC(C)=O)C(=O)OC(C)(C)C	846128158	FCMQDJNYKDWACB-UHFFFAOYSA-N	315.414	1.827	50	20	DDGD	
Cc1cc(C)cc([C@@H](C)NC(=O)NNC(=O)c2ncccn2)c1	841578585	QLMUDSFDANOEHJ-GFCCVEGCSA-N	313.361	1.799	50	20	DDGD	
O=C(NN=C/C=C\c1ccccc1[N+](=O)[O-])N1CCOCC1	745591181	RZQVNJLIHIDEHA-AIUAKQNISA-N	304.306	1.636	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@]12CCCC[C@@H]1NCC2	911925787	GIMMOSMKYRCVFO-DZGCQCFKSA-N	304.350	1.960	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NN=Cc2cc(C)nn2C)c1	841606478	ICDSXJBKRXYIFG-UHFFFAOYSA-N	300.362	1.874	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)n1	848675220	UGXBILUDMHRPQU-STQMWFEESA-N	319.409	1.733	50	20	DDGD	
C[C@]1(c2ccccc2)C[C@@H]1NC(=O)NNC(=O)Cc1cccnc1	743589030	OIOPXGWDSWBEOA-MAUKXSAKSA-N	324.384	1.685	50	20	DDGD	
O=C(CNC(=O)C1CC1)NNc1cccc(Br)c1	914857168	WICFWBAQDFYIAA-UHFFFAOYSA-N	312.167	1.418	50	20	DDGD	
CC1=C(C(=O)NNc2nc3ccccc3n2C)C(=O)OC1(C)C	848379079	CCDHNQDHIDMVNJ-UHFFFAOYSA-N	314.345	1.668	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H]1CCCC12OCCO2	912633249	IVTZVYLZDJKWED-VOMSXAGXSA-N	314.341	1.711	50	20	DDGD	
CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)CC(C)(C)CCl)C1	866985925	NGBZVSSSPLCNID-CHWSQXEVSA-N	322.902	1.997	50	20	DDGD	
COCCOC[C@H](C)NC(=O)NNc1cc(F)c(F)c(F)c1	746768796	ZVELWWWWLLKQBC-QMMMGPOBSA-N	321.299	1.782	50	20	DDGD	
CCN(C(C)=O)c1nc(C=NNC(=O)[C@H]2CCO[C@@H]2C)cs1	842559059	TTYJSTUYDCNHFS-SKDRFNHKSA-N	324.406	1.391	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)OC[C@@H]2CCC(=O)N2)cc1	845085094	STIIMGXYRNHPKC-XXYUJHKVSA-N	314.341	1.814	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c2c(C)noc2n1	843645073	QIPOPDVQQVVQGQ-NXEZZACHSA-N	318.333	1.026	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1cccc2c1CCNC2=O	841781834	IMZRQZJTTWFGGX-UHFFFAOYSA-N	316.361	1.315	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)cc1F	853370118	ZYFSSDVCBYVYCS-IRUJWGPZSA-N	306.293	1.542	50	20	DDGD	
C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H]1Br	857733675	MJFVQDMGFAAKTL-OIBJUYFYSA-N	302.128	1.826	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)OCC(F)(F)F)n(C)n1	856021092	FXBWEMKOVVBQFE-UHFFFAOYSA-N	308.260	1.477	50	20	DDGD	
CC(C)c1ncc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)s1	758373878	LGLIUCVGFSJBFT-SECBINFHSA-N	315.420	1.151	50	20	DDGD	
O=C(NNC(=O)c1cnc2n1CCCC2)c1ccccc1F	750691448	RKRHHAZBVZGHHX-UHFFFAOYSA-N	302.309	1.433	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NC[C@@]1(C)C[C@H]1Br	857394401	QWUSSWLYNLAMLR-ZWNOBZJWSA-N	319.243	1.925	50	20	DDGD	
CCC(C#N)(CC)C(=O)NNC(=O)c1cccc(N(C)C)c1	858158304	FNMXSCRARTZFOH-UHFFFAOYSA-N	302.378	1.844	50	20	DDGD	
CC[C@H](C)N(CC)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	852292654	GAMMZDIGXUMDMV-NSHDSACASA-N	322.365	1.476	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1nccn2ccnc12	755187259	KGPNVIFCUUPDFQ-UHFFFAOYSA-N	323.238	1.295	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)[C@H]1CCCN1C1CCCC1	857357129	HWRQWVMUTRSGRJ-GFCCVEGCSA-N	309.801	1.980	50	20	DDGD	
C[C@]1(CNC(=O)c2cc(C(N)=O)cs2)C[C@@H]1Br	857403954	VVHCWSWEVHOOAR-GZMMTYOYSA-N	317.208	1.750	50	20	DDGD	
COc1ncc(C)cc1NC(=O)NNC(=O)Cc1cccnc1	756847963	KGNMZVHDEJFNCQ-UHFFFAOYSA-N	315.333	1.189	50	20	DDGD	
CCCc1nc(C(=O)NNC(=O)NCCc2cccs2)co1	759592492	QAYKPGYNRSJWFQ-UHFFFAOYSA-N	322.390	1.875	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ccnc(C3CC3)n2)n1	753452922	XOZOEASYYQXFQL-UHFFFAOYSA-N	305.729	1.137	50	20	DDGD	
O=C1CC[C@@H](CC(=O)NNc2ccc(C(F)(F)F)cn2)CN1	857488892	NYYAIDXUNSTSSW-QMMMGPOBSA-N	316.283	1.460	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)c1cccc(Cl)n1	857323611	SOJILJGDVIFZTP-RKDXNWHRSA-N	309.753	1.501	50	20	DDGD	
O=C(C[C@H]1CCS(=O)(=O)C1)NNc1cc(F)cc(Cl)c1	855619808	WHVZUOYELSILGN-MRVPVSSYSA-N	320.773	1.747	50	20	DDGD	
O=S(=O)(CBr)NC[C@@H]1NCCc2ccccc21	850588134	UOJQYOZTKZPGMJ-NSHDSACASA-N	319.224	1.145	50	20	DDGD	
CC[C@]1(O)CCN(C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	856953691	SXFFNGWJEJPPFD-WCQGTBRESA-N	305.216	1.716	50	20	DDGD	
O=C(NNC(=O)C1Cc2ccccc2C1)OCC(F)(F)F	856020823	VQWMOYHLAZYZIF-UHFFFAOYSA-N	302.252	1.721	50	20	DDGD	
CC(=O)N[C@H](CCC(C)C)C(=O)NNC(=O)OC(C)(C)C	854163832	IVFACXUVTJQXDC-LLVKDONJSA-N	301.387	1.483	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)COc1cc(C)ccc1C)C1CC1	858130185	BHGPDFOPTQBCDY-MRXNPFEDSA-N	320.389	1.645	50	20	DDGD	
O=CN1CCC[C@H]1C(=O)NNC(=O)Nc1ccc(Cl)cc1	854377133	HVUULPNAPICWCE-NSHDSACASA-N	310.741	1.114	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1	853387280	RQAVZRKPMWJUBG-ZBFHGGJFSA-N	301.390	1.780	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@H]1CCc2nnnn2CC1	855370987	OJGCJYHVMHAAMV-JTQLQIEISA-N	304.329	1.216	50	20	DDGD	
COCCC(C)=NNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C	853373099	KXCWSDROIQCFCS-CHWSQXEVSA-N	308.382	1.416	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2ccc(Cl)nc2)c[nH]1	753163741	SXDXDOSUNYWCRH-UHFFFAOYSA-N	306.709	1.614	50	20	DDGD	
COCCCn1ccc(NC(=O)NNC(=O)C2CCCC2)n1	756660413	XAYSCNXDWHXQMU-UHFFFAOYSA-N	309.370	1.263	50	20	DDGD	
CC(=NNC(=O)c1cccn1C)c1cc([N+](=O)[O-])ccc1O	758097995	LDYOQPZSCJOCFX-UHFFFAOYSA-N	302.290	1.793	50	20	DDGD	
O=C(NCc1cnc2n1CCCC2)NNc1ncc(Cl)cn1	856899141	LMUXZGKIVUDLCZ-UHFFFAOYSA-N	321.772	1.489	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccncc2)c(OC)c1	755390648	AJNNXLGPVIESSC-UHFFFAOYSA-N	316.317	1.565	50	20	DDGD	
CC(C)(C)OC(=O)C(C)(C)CCNCc1cccc(B(O)O)c1	863889821	JHXODWHCSDOXSC-UHFFFAOYSA-N	321.226	1.214	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(C(=O)NC)cc1OC	862612710	WOXADJMEYNKWFK-LUAWRHEFSA-N	303.318	1.437	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(C)cc(Cl)n1	935198251	KSVAVXSYPUNONK-UHFFFAOYSA-N	318.855	1.515	50	20	DDGD	
CC(C)COC(=O)[C@H](C)NS(=O)(=O)CC(C)(C)CCl	867029058	ITHKUTHASSHPOI-JTQLQIEISA-N	313.847	1.759	50	20	DDGD	
CC(=O)N1CCC(C(=O)NNC(=O)c2cc(C)cs2)CC1	862475735	VOEMPWGAYNSSSD-UHFFFAOYSA-N	309.391	1.076	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1csc(CO)n1)c1ccccc1	865692614	FRZRJHRJUZYEFW-LLVKDONJSA-N	319.386	1.590	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1csc2ccccc12	869912108	GRNRDETYHWJVKW-UHFFFAOYSA-N	308.359	1.325	50	20	DDGD	
CCn1nc(C)c(C(=O)NNCC(F)(F)C(F)(F)F)c1C	863093780	AWDWIDPCAYGXCV-UHFFFAOYSA-N	314.258	1.952	50	20	DDGD	
COCCCn1cc(C(=O)NNc2cccc([N+](=O)[O-])c2)cn1	860312741	UCSOAWIKLADZGL-UHFFFAOYSA-N	319.321	1.585	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@@H](C)N(C)C[C@H]1C	769141199	KFDYHLAIANFVRO-GHMZBOCLSA-N	312.845	1.903	50	20	DDGD	
C[C@@H](C=NNC(=O)c1csc(N2CCOCC2)n1)CCC#N	765995511	VLVAYPOPLBNXDT-LLVKDONJSA-N	321.406	1.635	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccccc1-c1ccccc1	763442127	RNELBDXNWMDRAE-UHFFFAOYSA-N	311.341	1.850	50	20	DDGD	
CCc1cccnc1C(=O)NNC(=O)Cc1ccc(F)cc1	766556279	SQWUSZFDKIVRAY-UHFFFAOYSA-N	301.321	1.787	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NC1(C(N)=O)CCCCC1	866626932	RGUIFELDXHGXOC-UHFFFAOYSA-N	310.847	1.359	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)c1nccn2ccnc12	766675653	QKVIEAJSELMRNX-UHFFFAOYSA-N	311.330	1.491	50	20	DDGD	
COC(=O)c1ccc(Cl)c(COc2ccc(B(O)O)cc2)c1	864048325	QXHHJJWWBSCGAK-UHFFFAOYSA-N	320.537	1.385	50	20	DDGD	
O=C(NC[C@@H]1COCCN1)NNc1ccc(Cl)c(F)c1	861683194	GXVNLLHPDQOHCA-SECBINFHSA-N	302.737	1.094	50	20	DDGD	
Cc1ccc([C@H](C)[C@@H](O)C(=O)NNC(=O)NCC2CC2)cc1	764881326	PBHWADMNROQLPC-SMDDNHRTSA-N	305.378	1.200	50	20	DDGD	
CC(C)CCOc1cccc(NC(=O)NNC(=O)CCO)c1	1116636398	WLDLUKQXNZUCQT-UHFFFAOYSA-N	309.366	1.647	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C2(SC)CC2)c1	874952463	VNYCQPGBSHCRSQ-UHFFFAOYSA-N	305.428	1.881	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@H](CCN(C)C)C(C)(C)C)cc[nH]1	875302455	RCNFVCNHNWVLTP-CQSZACIVSA-N	307.442	1.804	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1C[C@@H](OC)C1(CC)CC	762604744	PHHURMYSOQRJLT-CYBMUJFWSA-N	311.426	1.989	50	20	DDGD	
N#CCOc1ccc(NC(=O)NNC(=O)c2cccnc2)cc1	1116561708	IFVRMJORNULVLP-UHFFFAOYSA-N	311.301	1.450	50	20	DDGD	
COC[C@@H](OC)C(=O)NNC(=S)Nc1cccc(Cl)c1	873785299	CATFYRCGWGHIPO-SNVBAGLBSA-N	317.798	1.319	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@](C)(O)C2CCC2)c1	874952060	LLPYTWSIRMZGIO-INIZCTEOSA-N	317.414	1.537	50	20	DDGD	
C[C@]1(CNC(=O)N[C@H]2C[C@@H](C(=O)O)C2)C[C@H]1Br	874408022	MAQIIRAXVRVOTQ-FBSDJGSXSA-N	305.172	1.322	50	20	DDGD	
COc1ccnc(NNC(=O)C(=O)Nc2c(C)cccc2F)n1	773730800	LVSKKVOUVFOYHC-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
O=C(CCCNC(=O)C1CC1)NNc1ccc(F)c([N+](=O)[O-])c1	771591543	CWBGFWXFWWHBSH-UHFFFAOYSA-N	324.312	1.483	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NN=Cc1cnc(N)nc1	773102746	IXICYSPJTSPDFC-SECBINFHSA-N	319.752	1.630	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@@H](C)c1cc(F)ccc1OC	775141820	BQCQQNQXWYIJSU-UWVGGRQHSA-N	311.357	1.431	50	20	DDGD	
CC[C@@H](CSC)N(C)CC(=O)NNC(=O)c1cccc(C)c1	777724258	NPOIJRASMCAMCO-AWEZNQCLSA-N	323.462	1.829	50	20	DDGD	
CCC(C)(C)NC(=S)NNC(=O)CNc1ccccc1F	774138957	MZYQISSXAKTVTP-UHFFFAOYSA-N	312.414	1.922	50	20	DDGD	
COc1ccc([C@@H](C)NCC(=O)NNC(=O)C(C)(C)C)cc1	774854841	JLNIYDBKWHOHIU-LLVKDONJSA-N	307.394	1.539	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNc1c(F)cc(F)cc1F	885153791	PUINKTZYYUCLEA-QMMMGPOBSA-N	303.284	1.695	50	20	DDGD	
C=C(C)CCC(=O)NNC(=O)COc1ccccc1OCC	1120788821	BAEJBXXYCRCLKG-UHFFFAOYSA-N	306.362	1.968	50	20	DDGD	
O=C(CN1CCCC1=O)NN=CCSCc1ccccc1	774341054	IKTBHYDAJVTUMH-UHFFFAOYSA-N	305.403	1.644	50	20	DDGD	
COc1cccc(NNC(=O)NCCc2nc(C)cs2)n1	779973930	UWINOLSKDJSDNO-UHFFFAOYSA-N	307.379	1.724	50	20	DDGD	
CCCn1cc(C(=O)NNc2cccc(F)c2C(=O)OC)cn1	773638977	RBRJBPFHHBNGMC-UHFFFAOYSA-N	320.324	1.976	50	20	DDGD	
CCc1ccccc1C(=O)NNc1ccccc1S(N)(=O)=O	788230791	XNQAICFWARPXPK-UHFFFAOYSA-N	319.386	1.653	50	20	DDGD	
C=CC(C)(C)CC(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	884653148	TYHCYOCGZXTNON-UHFFFAOYSA-N	318.373	1.902	50	20	DDGD	
CC(C)c1nc([C@H](C)NS(=O)(=O)CCCCCl)n[nH]1	780824509	DPAKHYYFMGLXDI-VIFPVBQESA-N	308.835	1.928	50	20	DDGD	
CO[C@H](C(C)=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1	782184618	JRTCLPYZYKZOTF-ZIAGYGMSSA-N	324.402	1.301	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)C1CCC1	782537707	VATUCIWFILWDAA-UHFFFAOYSA-N	308.294	1.556	50	20	DDGD	
C[C@]1(c2cccc(C(=O)N3CC=C(C#N)CC3)c2)NC(=O)NC1=O	780690513	XWKRCAUNZAWYPQ-QGZVFWFLSA-N	324.340	1.037	50	20	DDGD	
COc1ccc2c(c1)C(C)(C)CC2=NNC(=O)C(=O)NC(C)C	788708320	GMXBELOHCMBXAO-UHFFFAOYSA-N	317.389	1.721	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1	780712918	ZTMYTYHMSBJFRR-UHFFFAOYSA-N	314.345	1.552	50	20	DDGD	
Cc1nc(SC(F)F)sc1CC(=O)NNC(=O)N(C)C	793274484	VAVKEFVXDCDJQA-UHFFFAOYSA-N	324.378	1.611	50	20	DDGD	
C=C(CBr)COC(=O)CS(=O)(=O)CC(C)C	795450695	XTQBJWDCESTVLS-UHFFFAOYSA-N	313.213	1.552	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(C)C1C[C@@H]2CC[C@H](C1)N2C	796458318	KVQNYDKGWPWBIS-RDGKXADDSA-N	324.469	1.125	50	20	DDGD	
Cc1ccc(-n2cnnc2)c(C(=O)NNc2ncc(F)cn2)c1	797961496	LHRAQHSMBVZUPJ-UHFFFAOYSA-N	313.296	1.262	50	20	DDGD	
CSSCCNC(=O)N1CCC(O[C@H]2CCOC2)CC1	790880369	YLAVMFVJMKDMQD-LBPRGKRZSA-N	320.480	1.977	50	20	DDGD	
Cc1cccc(C(=O)NNS(=O)(=O)CCc2ccccc2)n1	794599513	HSHUPJMEZZFZQC-UHFFFAOYSA-N	319.386	1.197	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc3c(c2)CCC(=O)N3)n1	794076440	IWMMHRKNBGPYOY-UHFFFAOYSA-N	324.340	1.350	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=C(C)c1ncc[nH]1	790150806	RBBPYJMIUJRWOP-UHFFFAOYSA-N	310.361	1.862	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C2(OC)CCOCC2)cc1	796664931	ZHUVBZDZGOSPGX-UHFFFAOYSA-N	323.349	1.044	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)c2ccc(S(N)(=O)=O)cc2)c1	798334553	GVYFPJHHHPWRFX-UHFFFAOYSA-N	319.386	1.708	50	20	DDGD	
C[C@H]1CC[C@@H](CNC(=O)NNC(=O)COc2ccccc2O)C1	793280389	LIVFHGDPMBYJPK-NWDGAFQWSA-N	321.377	1.538	50	20	DDGD	
O=C(NNc1ccccc1Cl)C(=O)Nc1cncc(F)c1	799257641	HHFOPWXDCOKBMK-UHFFFAOYSA-N	308.700	1.956	50	20	DDGD	
COc1cc(NC(=O)NN=c2cc[nH]cc2)cc(-n2cccn2)c1	791962907	OIPBWLVWXYNWAC-UHFFFAOYSA-N	324.344	1.846	50	20	DDGD	
O=C(Cc1ccc2n[nH]cc2c1)NN=c1cc[nH]cc1Cl	793824481	MZAAEMVIUJAKPH-UHFFFAOYSA-N	301.737	1.719	50	20	DDGD	
CC(C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)=C1CCCC1	792851479	XAGQCRMDXCFUJD-CYBMUJFWSA-N	300.424	1.369	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=C1CCN(C2CCCC2)CC1	1317910673	VELLCJQBTXEMHP-UHFFFAOYSA-O	301.414	1.485	50	20	DDGD	
Nc1cnnc(NNC(=O)CCSc2ccccn2)c1Cl	1319302844	JDIWADCHIVQGHE-UHFFFAOYSA-N	324.797	1.733	50	20	DDGD	
O=C(CCl)N1CCN(Cc2cccc(Cl)c2)C(=O)C1	1319674607	QQOANROAXURNMT-UHFFFAOYSA-N	301.173	1.750	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H](C(=O)NNC(=S)NC(C)C)C2	1318074210	JQBBNOUQOGTJPY-NSHDSACASA-N	323.418	1.150	50	20	DDGD	
CCCc1n[nH]cc1C(=O)NNc1ccccc1S(C)(=O)=O	1320507127	SCHNLCSMYOMRLI-UHFFFAOYSA-N	322.390	1.523	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN(CC(F)F)C1)NC1CCCC1	1329259842	PCKJPCYKSDAWMM-JTQLQIEISA-N	318.368	1.237	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cc(Cl)ccc1O)n1ccnc1	1324413760	MKCXSARMJPQNJM-QMMMGPOBSA-N	308.725	1.264	50	20	DDGD	
Cc1cnc(S[C@@H](C)C(=O)NNC(=O)CC(C)C)nc1O	1328044598	TVOAJVNVHYGRDI-VIFPVBQESA-N	312.395	1.165	50	20	DDGD	
COC(=O)CN(C)CCNC(=O)[C@@H](Br)C(C)(C)C	1320570864	XTHHSDDZRDPVLS-SNVBAGLBSA-N	323.231	1.017	50	20	DDGD	
Cc1nc([C@@H](C)NC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)no1	1323134068	FZZLQXLVKOAOIO-SRCKSBHPSA-N	324.344	1.681	50	20	DDGD	
CN(CC(F)F)c1nnnn1C[C@]1(C)C[C@H]1Br	1334618812	YFTDUHJJTMSBQV-MUWHJKNJSA-N	310.146	1.548	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H]1COc2c(F)cc(F)cc2C1	1337518119	XETXUAIIQHVDHY-OFFHKIPUSA-N	308.284	1.828	50	20	DDGD	
COc1nccnc1NNC(=O)CCc1ccc2c(c1)CCO2	1261364198	BFWYBKHYHLDPMB-UHFFFAOYSA-N	314.345	1.496	50	20	DDGD	
Cc1nnc(NNC(=O)c2nc(Cl)sc2C)nc1O	1343723426	XDPAGPSORLELAY-UHFFFAOYSA-N	300.731	1.061	50	20	DDGD	
C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NNC(=O)NC3CCCCC3)CN2C1	1348423328	AVRZKGRAHVRISA-NFAWXSAZSA-N	322.453	1.770	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)[C@H]2C[C@@H]2F)c1	1347558521	VPSFJHHIKGVGMK-CBAPKCEASA-N	301.705	1.859	50	20	DDGD	
CCC(C)(C)CNC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1351173125	BNGOQSKVGVXIFY-NOZJJQNGSA-N	319.243	1.829	50	20	DDGD	
C[C@H]1CN2CCN1C[C@H]2C(=O)NNc1ccc(C(C)(C)C)cc1	1528093899	BJBZBFGDBRPDSG-BBRMVZONSA-N	316.449	1.816	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1ccc(-c2nn[nH]n2)[nH]1	1609559442	GDDOKLZIVDRXEI-UHFFFAOYSA-N	304.701	1.000	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@]2(C(=O)O)C[C@@H]2c2ccccc2)cc[nH]1	1607695615	KAKSLOZAZUFFGQ-RHSMWYFYSA-N	311.341	1.514	50	20	DDGD	
NC(=O)[C@H]1CCC[C@H](C(=O)NNc2ccc(C(=O)O)cc2F)C1	1601145869	UDNKULUQFXBSNP-IUCAKERBSA-N	323.324	1.259	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])[C@H]1CCCC[C@H]1C(=O)O	1601561806	BBBIHPWZTSQIBP-DTWKUNHWSA-N	308.294	1.324	50	20	DDGD	
Cc1nc([C@@H](C)NC(=O)NNc2cccc(C(=O)O)c2F)no1	1607947731	ALDWRGAAHWVMTK-ZCFIWIBFSA-N	323.284	1.603	50	20	DDGD	
O=C(O)c1ccc(CNS(=O)(=O)CBr)s1	1602349670	CJQBWWIKKDIDRY-UHFFFAOYSA-N	314.182	1.218	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)/C=C/c2ccc(C(=O)O)o2)n1	1607959305	LKWCEHZPOPXYNI-HWKANZROSA-N	322.708	1.886	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1ccsc1-c1nn[nH]n1	1606861631	RFQTXHJICMRQTA-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
O=C(NN=C1CCCc2ccccc21)[C@H]1CN2CCC[C@@H]2CO1	1549315104	LFDXCWGWKJLXQJ-RHSMWYFYSA-N	313.401	1.706	50	20	DDGD	
Cn1ccc(NNC(=O)[C@H](N)c2ccccc2C(F)(F)F)n1	1579973284	ZHIHHAMPRBQBLW-LLVKDONJSA-N	313.283	1.582	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCNC1)c1cc(C2CC2)cnc1Cl	1580733204	PMQLFBVWSRYMSL-JTQLQIEISA-N	322.796	1.373	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H](C)OC)C2	1841670603	INULDSHLVBAOCE-NWDGAFQWSA-N	316.829	1.632	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@@]12CCC[C@@H]1NCC2	1580569892	GAHREYYZOGZYOD-XJKSGUPXSA-N	305.353	1.048	50	20	DDGD	
C[C@H](NC(=O)NNc1ccncn1)[C@@H]1C[C@H](C(=O)O)C1(C)C	1589108284	JEHDPCQBCJKFCS-LPEHRKFASA-N	307.354	1.238	50	20	DDGD	
O=C(Cc1ccccc1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843363010	MGZNRMXIAHDIDI-CQSZACIVSA-N	324.783	1.967	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)c1cc(-c2nn[nH]n2)ccn1	1590895005	XXAIVGJQQQKUSX-UHFFFAOYSA-N	323.360	1.889	50	20	DDGD	
CS(=O)(=O)SCCNC(=O)CC1(CC(=O)O)CCCC1	1599762001	FRKLOEXRZLCVFW-UHFFFAOYSA-N	323.436	1.221	50	20	DDGD	
CSSCCNS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)O	1599804888	VWRIPQOARZJSLE-BDAKNGLRSA-N	313.466	1.560	50	20	DDGD	
CC(C)c1ccc(NC(=O)NNC(=O)CCCN)c(C(=O)O)c1	1591966265	YRWSJGKKBBQTQB-UHFFFAOYSA-N	322.365	1.400	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@H](C(=O)O)C2CC2)c1	1593703899	LGJLXGJVPOXZRK-GFCCVEGCSA-N	320.349	1.334	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1	1590797238	MRAHDUJKTITBFP-BQYQJAHWSA-N	302.269	1.388	50	20	DDGD	
CC(C)N1CCC(C(=O)NNc2ccc(CC(=O)O)cc2)CC1	1591610376	AHIPKGQTFIYMMH-UHFFFAOYSA-N	319.405	1.877	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNc1cccc(-c2nn[nH]n2)c1	1590163272	HRYLPAPHDHRSBG-VHSXEESVSA-N	314.349	1.315	50	20	DDGD	
CC[C@@H](C(=O)O)C(=O)NNC(=O)c1ccc(Cl)cc1F	1594756185	ZMDJJFNBYBMAER-SSDOTTSWSA-N	302.689	1.351	50	20	DDGD	
CC(C)(O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Cl)C2	1795795481	JPEGOBSPSPGOPH-DTHBNOIPSA-N	320.792	1.320	50	20	DDGD	
CNC(=O)NNC(=O)CN(Cc1ccccc1)c1ccccc1	161001152	DTIMKEQHTKARNB-UHFFFAOYSA-N	312.373	1.653	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	160265960	LKBLQAZYSRNBAM-UHFFFAOYSA-N	306.200	1.786	50	20	DDGD	
O=C(NNC(=O)c1cccc(C2OCCO2)c1)c1ccccc1	152980899	KADYGPKLIVDLPW-UHFFFAOYSA-N	312.325	1.807	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1	155209696	YEAGDAMZYBSYFL-OAHLLOKOSA-N	307.309	1.783	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)c1ccc2ccccc2n1	157180326	RPPCVEWQVQJSMC-UHFFFAOYSA-N	301.346	1.668	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)Cc2c(F)cccc2Cl)nn1	154363220	RVRRTNQPXLYILE-UHFFFAOYSA-N	323.715	1.054	50	20	DDGD	
COc1ccc(NNC(=O)Cc2cccc([N+](=O)[O-])c2)nc1	159118204	LTRJPCHOGLUVOK-UHFFFAOYSA-N	302.290	1.684	50	20	DDGD	
Cc1cc2ccccc2n1CC(=O)NNC(=O)c1ccccn1	7751804	MVNCQSMVAPMXNG-UHFFFAOYSA-N	308.341	1.806	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)cc1	9895933	XLGVPZVRPUULMU-UHFFFAOYSA-N	309.329	1.235	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N[C@@H]1CCCc2occc21	103508923	HEDZKMKXDZLESQ-CYBMUJFWSA-N	314.345	1.625	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2nccnc2Cl)s1	114895885	XSYOGMDLGOAFFI-UHFFFAOYSA-N	312.738	1.735	50	20	DDGD	
C[C@@H]1c2cccn2CCN1CC(=O)NNC(=O)c1ccccc1	170744323	PMBDMGAYPIAVSJ-CYBMUJFWSA-N	312.373	1.326	50	20	DDGD	
O=C(NCc1nc2ccccc2s1)NNc1cccnn1	172484061	PUSUXJIWPOMKBH-UHFFFAOYSA-N	300.347	1.913	50	20	DDGD	
COc1ccccc1CN(C)[C@H](C)C(=O)NNC(=O)CC(C)C	111192726	ISGOKTZTSZXCGG-CYBMUJFWSA-N	321.421	1.709	50	20	DDGD	
Cc1ccc2c(CC(=O)NNC(=O)N3CCOCC3)c[nH]c2c1	171063090	JJMKJMBNLJGGDO-UHFFFAOYSA-N	316.361	1.092	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C[C@@H]2CCCO2)cc1	65741382	LOBFCOFTSDQROA-AWEZNQCLSA-N	306.362	1.344	50	20	DDGD	
C/C(=C/c1cccc(Cl)c1)C(=O)NNC(=O)N1CCOCC1	179199846	VEALXWGFXXNPJN-LUAWRHEFSA-N	323.780	1.816	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNC(=O)COc1cc(C)cc(C)c1	119747498	MUZVFYAEMANMBP-INIZCTEOSA-N	308.378	1.381	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C(C)(C)c2ccccc2Cl)cn1	117679757	HXGZQZIMQJSTHQ-UHFFFAOYSA-N	320.780	1.812	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)cc(C#N)n1C	177188906	YDWYDQLNVOEXGC-CSLOZEESSA-N	310.357	1.548	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cc3ccc(Cl)cc3[nH]2)cn1	117820716	DZYRBGYEQSWAHK-UHFFFAOYSA-N	317.736	1.630	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2ccc(C#N)cc2)cc1	61474578	PRJGXJCALOSBPP-UHFFFAOYSA-N	323.308	1.420	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC=CCC1)c1cc(Br)c[nH]1	28717577	WLLPCGFFPWVZQR-MRVPVSSYSA-N	312.167	1.895	50	20	DDGD	
CC[C@@H]1CN(CCI)C[C@H](C)[S@]1=O	306299240	YENXDEHIWQCFOC-IGJMFERPSA-N	315.220	1.653	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)Cc1ccccc1F)C1CC1	126899786	TTWGGZMZQSFZLK-CYBMUJFWSA-N	309.341	1.124	50	20	DDGD	
CCCC(CCC)C(=O)NNC(=O)CNC(=O)c1ccco1	129901769	FZLZYZGQJJIMSU-UHFFFAOYSA-N	309.366	1.373	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)c1cncc(F)c1	126916764	PILXNRJUABUSHJ-UHFFFAOYSA-N	320.349	1.861	50	20	DDGD	
Cc1nccc(C(=O)NNC(=O)Cc2ccc3ccccc3c2)n1	79591940	VJVJEIDCIHECSA-UHFFFAOYSA-N	320.352	1.942	50	20	DDGD	
Cc1ccc(-c2nnn(CC(=O)NNc3ccncc3)n2)cc1	183016295	DDBAGPZRFFDOOX-UHFFFAOYSA-N	309.333	1.187	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@@](C)(C(=O)OC)c1ccccc1	188755760	MGCOSCIYVPMTKB-MLFXKNMZSA-N	316.357	1.677	50	20	DDGD	
Cc1csc(NC(=O)C(=O)NNc2c(C)cccc2F)n1	187458334	LHOJCVYHFTZVAM-UHFFFAOYSA-N	308.338	1.981	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1cc(Cl)ccn1	71035497	YMPOZWCBTNAYKA-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
Cc1cc(C)n(CCCNC(=O)NNc2ccc(Cl)nn2)n1	126144086	IPNDSEGHGMVBPO-UHFFFAOYSA-N	323.788	1.660	50	20	DDGD	
O=C(C[C@@H]1C(=O)Nc2ccccc21)NNc1ccnc(F)c1	182447194	NUEPUHVRNLGMGS-NSHDSACASA-N	300.293	1.790	50	20	DDGD	
COc1cccc(NNC(=O)Cn2c(C)c(C)sc2=O)n1	180731489	KKJGGEOVDABEAR-UHFFFAOYSA-N	308.363	1.074	50	20	DDGD	
C[C@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@H](c2ccsc2)O1	121036935	NGPLTVVGLSMIJF-GXFFZTMASA-N	323.418	1.067	50	20	DDGD	
COCCN1C[C@H](C(=O)NNc2c(C)cccc2F)CC1=O	184316557	HARSQKLZXBCUNY-LLVKDONJSA-N	309.341	1.072	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1	43466549	WOXTVCLXDRTQLV-UHFFFAOYSA-N	309.366	1.836	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NNC(=O)C1=CCCCCC1	130398822	OAVCAZNCVNAWKQ-UHFFFAOYSA-N	305.334	1.047	50	20	DDGD	
O=S(=O)(CCCCl)NCCCN1CCc2ccccc21	40809967	CVXBSNIAHKMFNO-UHFFFAOYSA-N	316.854	1.988	50	20	DDGD	
CNC(=O)[C@H](C)CN(C)C(=O)c1c(C)nn(CCCl)c1C	81439912	LTEFOOFJXSRBCT-SECBINFHSA-N	314.817	1.193	50	20	DDGD	
COc1ccc(/C=C(\C#N)S(=O)(=O)N(C)C)cc1[N+](=O)[O-]	195321115	NVYTUIWGENHERX-UXBLZVDNSA-N	311.319	1.359	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)CC(F)(F)F	131360654	BIHNRCDMOLIXSS-UHFFFAOYSA-N	306.240	1.174	50	20	DDGD	
CCO[C@H](CNC(=O)NNc1ncccn1)c1ccccc1	195194344	VIHIDTIKXZQRPK-CYBMUJFWSA-N	301.350	1.881	50	20	DDGD	
O=C(CNC(=O)c1cccc(F)c1)NNc1ccc(F)cc1	192658340	OJVLHAQCTBBZJO-UHFFFAOYSA-N	305.284	1.838	50	20	DDGD	
COCCCNC(=O)NNC(=O)COc1ccccc1Cl	42901442	WVKHYLNQRZHJST-UHFFFAOYSA-N	315.757	1.086	50	20	DDGD	
O=C(NCc1ccc(N2CCCC2)cc1)NNc1ncccn1	46984064	QBSQJLAVKREGQB-UHFFFAOYSA-N	312.377	1.903	50	20	DDGD	
CN1CCO[C@H](C(=O)NNc2ccccc2OC(F)(F)F)C1	190193745	RUNFIYQXAAMHGV-NSHDSACASA-N	319.283	1.359	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NC1CC(c2ccccc2)C1	83220441	SPGDDHZOUISQKB-UHFFFAOYSA-N	324.384	1.901	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cc(Br)cs1	192914385	OCGXWLHZZZCQCT-UHFFFAOYSA-N	307.169	1.043	50	20	DDGD	
C[C@](CO)(NS(=O)(=O)CBr)c1ccccc1	163513904	XYNRGBMKURIMBX-SNVBAGLBSA-N	308.197	1.166	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(F)c(F)cc1F	94121198	XPPRODSYGZMIQU-UHFFFAOYSA-N	323.365	1.576	50	20	DDGD	
Cn1c(=NNC(=O)c2ccc(C#N)cn2)sc2ccccc21	255313062	KFLWXAFMTRIUTM-UHFFFAOYSA-N	309.354	1.752	50	20	DDGD	
COc1ccc(OC)c(CCNC(=O)NNC(=O)C2CCC2)c1	264758742	LLIUENLSNCFWQK-UHFFFAOYSA-N	321.377	1.377	50	20	DDGD	
C[C@]1(CCCC(=O)NNc2ccc(F)cc2)NC(=O)NC1=O	269646853	HUBDQLKUWBYNHQ-CQSZACIVSA-N	308.313	1.037	50	20	DDGD	
O=C(CC[C@H]1CCOC1)NNC(=O)c1ccc(Cl)cc1O	267603879	QOOAMNPJCNIPRG-VIFPVBQESA-N	312.753	1.623	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H](C)[C@H]2CCOC2)cc1	266612312	UHAJPWYEBHSMMU-FZMZJTMJSA-N	305.378	1.618	50	20	DDGD	
O=C(C[C@@H]1CNCCO1)NNc1c(Cl)cccc1Cl	269212520	RNMLFZAVCGQRQD-MRVPVSSYSA-N	304.177	1.815	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CCSC2)cc1	266772445	IUNXLELZKDRXCH-NSHDSACASA-N	309.391	1.210	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2C[C@@]23CCOC3)cc1	369934065	QINGJCGXMKDANU-WMLDXEAASA-N	318.373	1.202	50	20	DDGD	
CCN(CC)CCSCC(=O)NNC(=O)c1cccc(C)n1	279849074	SWQKDFNEURSDHG-UHFFFAOYSA-N	324.450	1.226	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](CO)CC1CCC1	279627934	KPUUARGXMGPOSO-CYBMUJFWSA-N	305.378	1.490	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@H](C)c1nnc2n1CCC2	276613135	GCAWGUZWSDBBES-SNVBAGLBSA-N	301.354	1.315	50	20	DDGD	
C#CCOc1ccc(C(=O)NNC(=S)NCCSC)cc1	271230025	FOBWUUZISZXPLM-UHFFFAOYSA-N	323.443	1.171	50	20	DDGD	
COC(=O)NNC(=O)Cc1csc(NC(=O)C(C)(C)C)n1	274308387	SWGIUIAFBLQFFW-UHFFFAOYSA-N	314.367	1.057	50	20	DDGD	
CCC(CC)n1nc(C)cc1C(=O)NNc1nccn(C)c1=O	271843993	RLEGFIDZGSLBGE-UHFFFAOYSA-N	318.381	1.403	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)N[C@@H]1CCO[C@H]1C1CC1	374385370	LCXDZAMYPURJDF-HIFRSBDPSA-N	321.352	1.266	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@@H]2CCSC2)cc1	279618014	SPXPEKRAZKLSDC-LBPRGKRZSA-N	307.419	1.946	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)COc1c(Cl)cccc1Cl	277855900	BFNIHBJMZJCVAG-UHFFFAOYSA-N	321.160	1.291	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@@H](CO)c1ccc(F)cc1	275766145	LDACXOIUWNQKON-LBPRGKRZSA-N	309.790	1.798	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNC(=O)Nc1ccccc1)C(C)C	282904280	XDDDYMUYNNJMAZ-NSHDSACASA-N	308.338	1.220	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(Br)c(C)cc1OC	285243100	YXKVMEXSKOADHV-UHFFFAOYSA-N	316.155	1.340	50	20	DDGD	
C[C@]12CCC(=O)N1[C@H](C(=O)NNc1cccc(F)n1)CS2	286675240	WJDOFNILQUTIBF-SDBXPKJASA-N	310.354	1.118	50	20	DDGD	
CCN1CCN(C(=O)c2c(C)nn(CCCl)c2C)[C@@H](C)C1	288572460	UQHNJZSEIIJHDR-NSHDSACASA-N	312.845	1.905	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2coc3ccccc23)CC1	288098949	WTKVCECUIILWOX-UHFFFAOYSA-N	302.334	1.035	50	20	DDGD	
CCOc1ccc(/C=C/C(=O)NN(C)CCOC)cc1OC	288347615	GCDBFCXPYLAYBP-VQHVLOKHSA-N	308.378	1.717	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)cc1	295330470	HFZACWCUTBQVFS-CYBMUJFWSA-N	320.345	1.193	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCc1ccc(N(C)C)cc1	299245965	QJHFDYJBBNWTFB-UHFFFAOYSA-N	322.409	1.052	50	20	DDGD	
Cc1ccccc1[C@@H](C)NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	297388250	NWSYAAUDFZQOFN-SCRDCRAPSA-N	305.378	1.954	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2c[nH]nc2-c2ccccc2)O1	294060237	ZUNKILMTTBWMGS-GWCFXTLKSA-N	314.345	1.405	50	20	DDGD	
O=C(NN=Cc1cnccn1)c1cc(Br)ccc1O	807974172	WNOFXEDIELYHOF-UHFFFAOYSA-N	321.134	1.709	50	20	DDGD	
CC(C)c1ccccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCCO1	293178571	AKEQHKUPIUWRRW-ZDUSSCGKSA-N	319.361	1.075	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCc1nc(C2CC2)n[nH]1	298060827	JSDMYQCVFUYKNN-UHFFFAOYSA-N	314.349	1.135	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ncccc2F)c(F)c1	807301604	LEKUJMRLZFKOPQ-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
CCC(CC)(CCO)NCC(=O)NNC(=O)c1ccc(C)cc1	801587311	KZFFYKNSSUYGNT-UHFFFAOYSA-N	321.421	1.287	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=Cc2ccc(N)nc2)c1	807951049	FKPAMTDNWRJCJD-UHFFFAOYSA-N	300.318	1.445	50	20	DDGD	
C[C@@H](NC(=O)[C@H](Br)C(C)(C)C)C(=O)NCCF	800598426	LPKONAUSYKGVKW-SFYZADRCSA-N	311.195	1.386	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc(C3CC3)cnc2Cl)O1	294276410	PNCXYUKFQVLUBW-UFBFGSQYSA-N	323.780	1.941	50	20	DDGD	
Cn1nncc1NC(=O)NNC(=O)c1cccc2ccccc12	809900694	RBGGUOSQRMZGCV-UHFFFAOYSA-N	310.317	1.435	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H](NC(N)=O)C(C)(C)C)cc1	293793572	AZXGJMZRIGXTSF-GFCCVEGCSA-N	308.382	1.611	50	20	DDGD	
CSCc1cccnc1C(=O)NNC(=O)N=c1cc[nH]cc1	813573872	KAFIBWUSDGASHM-UHFFFAOYSA-N	317.374	1.228	50	20	DDGD	
Cc1ccc2nc(C(=O)NNC(=O)c3cccn3C)ccc2c1	814795692	HZVZDBUTJCAPHT-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
CC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)c1csc(N)n1	812435790	VKJJMQPBRAYJIG-UHFFFAOYSA-N	320.334	1.370	50	20	DDGD	
CCn1c(C(C)=NNC(=O)Cc2cc[nH]n2)nc2ccccc21	814957788	VOCQMQOVNRYHDU-UHFFFAOYSA-N	310.361	1.862	50	20	DDGD	
O=C(NN=Cc1c[nH]c(C(=O)O)c1)c1cccc([N+](=O)[O-])c1	814684364	PMAQEUVCKDNPNN-UHFFFAOYSA-N	302.246	1.385	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cnnn1-c1ccccc1Cl	819114349	GUBMQCHMFINMPE-UHFFFAOYSA-N	319.752	1.482	50	20	DDGD	
Cc1c(C(=O)NNc2nc[nH]n2)nnn1-c1ccccc1Cl	816632341	DTJVXKAZJOVDMA-UHFFFAOYSA-N	318.728	1.104	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2ncc(C#N)cc2C)c1	814719100	YXALBXADQWVKAM-UHFFFAOYSA-N	324.340	1.410	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)Oc1cccc(C)c1C)c1cnnn1C	814747515	ADNYNTLLCIOBJL-CYBMUJFWSA-N	315.377	1.740	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C(C)C[C@H]1CCC(=O)N1	811631324	UKCBOQFKVCMRDZ-GFCCVEGCSA-N	318.377	1.268	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2c[nH]nc2-c2ccccn2)o1	810490453	QILMOUFVROPZNB-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)Cc2cccnc2)ccc1F	728944544	FPEJOSYNZOGJQD-UHFFFAOYSA-N	316.336	1.602	50	20	DDGD	
C=CCCOCC(=O)NNC(=O)Cn1ccc2ccccc21	729453950	GFNRWFOORXZVIY-UHFFFAOYSA-N	301.346	1.381	50	20	DDGD	
CC(=NNC(=O)CSc1ccccc1O)c1cnn(C)c1	814970672	YAIDEEZFRDPFEL-UHFFFAOYSA-N	304.375	1.758	50	20	DDGD	
CN(C)c1cc(C#N)cc(C(=O)NNc2ncc(F)cn2)c1	815881818	ZXHDQMANDUKVTM-UHFFFAOYSA-N	300.297	1.310	50	20	DDGD	
NC(=O)NN=C1COc2c(Br)cc(Cl)cc21	814686593	QGHGKLMCYWBAJU-UHFFFAOYSA-N	304.531	1.867	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cn(CCc2ccccc2)nn1	822537937	QVAOGRQWAXZJNM-UHFFFAOYSA-N	315.377	1.328	50	20	DDGD	
C[C@H](Oc1ccc(/C=C(/C#N)C(=O)NC2CC2)cc1)C(=O)O	491051315	SDTADHNMMLZDRV-UVIKPUKZSA-N	300.314	1.724	50	20	DDGD	
C[C@@H](C=NNC(=O)c1ccccn1)CNC(=O)OC(C)(C)C	496386776	MPLACWJUPLTCFS-LLVKDONJSA-N	306.366	1.958	50	20	DDGD	
CC(=O)N[C@H](CCC(C)C)C(=O)NNC(=O)NCc1ccco1	823793052	JOQFXFUSHIEGII-CYBMUJFWSA-N	324.381	1.051	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H]1CSCC(=O)N1	820008398	LNKJVCQIGANWMI-LBPRGKRZSA-N	307.419	1.793	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)NCC2CCC2)c(OC)c1	727866979	JGIBMQULGYBSKF-UHFFFAOYSA-N	323.418	1.613	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(-c2nn[nH]n2)c1)c1ccc[nH]1	824505680	HADACMQEJNMWIP-VIFPVBQESA-N	312.337	1.582	50	20	DDGD	
CCN(CCO)NC(=O)COc1ccccc1C(F)(F)F	823846251	GPUXJFFJJYKFGG-UHFFFAOYSA-N	306.284	1.430	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)c1cccnc1	824045923	PJASEOGPJPDPQG-SNVBAGLBSA-N	309.333	1.509	50	20	DDGD	
CC(=NNC(=O)C1CCC1)c1ccc(-c2nn[nH]n2)cc1F	823948483	ORYOWTFKFFBBMM-UHFFFAOYSA-N	302.313	1.646	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@]1(C)CCOc2ccccc21	823476430	XXUBBTOYQXBLJL-NVGCLXPQSA-N	318.373	1.299	50	20	DDGD	
O=C(/C=C\c1cccc(O)c1)NNc1nc(-c2ccncc2)no1	492999312	QXMVSCKJLCBTAF-PLNGDYQASA-N	323.312	1.994	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H]1O[C@@H](C)C[C@H]1C	822731845	PHBQADFAOZIJFY-VYUIOLGVSA-N	310.325	1.869	50	20	DDGD	
N#Cc1ccc(Br)c(NNC(=O)CN2CCCC2)c1	824490217	GPNSRXQWLIRVAI-UHFFFAOYSA-N	323.194	1.860	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(NC(=O)OCC)cc1	495068998	TYEVAGUAINOMJO-UHFFFAOYSA-N	324.337	1.444	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNc1cccc(F)c1C(=O)OC	822730569	AEIAVMJZFPUZOQ-ZJUUUORDSA-N	312.341	1.974	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNC(=O)Nc1ccccc1)C(C)C	822760156	GZOBFYZLOZVDOI-GFCCVEGCSA-N	307.350	1.675	50	20	DDGD	
COCc1c(C(=O)NNC(=O)OC)cnn1-c1ccccc1	495332669	XFGALMSBXOIWMA-UHFFFAOYSA-N	304.306	1.020	50	20	DDGD	
CC[C@H](C)CCNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	820872826	HEXTXGRBCONNLC-VIFPVBQESA-N	324.337	1.681	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C)C[C@H]1OCCc2ccccc21	827635742	MVYMUWHOQUFJHE-OAHLLOKOSA-N	319.405	1.036	50	20	DDGD	
Cc1ccncc1/C=C/C(=O)NNC(=O)NCc1ccco1	492505139	SXXZBBLNVIVEOF-SNAWJCMRSA-N	300.318	1.527	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc(-c3nn[nH]n3)cs2)n1	822198878	MSMDSEVYYWTMGJ-UHFFFAOYSA-N	316.350	1.092	50	20	DDGD	
CC1(C)C[C@H](O)c2cc(NCc3ccc(B(O)O)o3)ccc21	585036511	LXJKJINAWFSIDL-AWEZNQCLSA-N	301.151	1.286	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@]2(C)CCC[C@H]2C)cc1	822222028	QXSIIIYJXIJPJT-SJKOYZFVSA-N	317.389	1.907	50	20	DDGD	
Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc(B(O)O)cc3)C2)cc1	584982316	GOWMTOZXXFNVFH-RHSMWYFYSA-N	323.201	1.693	50	20	DDGD	
C#CCCCCC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	823838255	MWHDKWWAWREBMD-UHFFFAOYSA-N	317.353	1.615	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	823994135	ZGXOVXLLMABQKA-NSHDSACASA-N	322.365	1.152	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C\c1ccccc1OCC(=O)O	490588607	WUFZLSCPRZGKTF-QPEQYQDCSA-N	302.330	1.829	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1ccc2nncn2c1)c1ccccc1	731173277	JPIQEGJACUCFCE-UHFFFAOYSA-N	323.356	1.468	50	20	DDGD	
Cc1cc(NNC(=O)C(C)(C)CNC(=O)OC(C)(C)C)ncn1	493604513	HNDBRGVOXVKWDW-UHFFFAOYSA-N	323.397	1.779	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1cccc(C(=O)O)c1	821396208	YTZBWEZYYLILFW-UHFFFAOYSA-N	316.288	1.528	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@]2(C)C[C@H]2Br)n1	906067231	LFAHXPAMMZWWSQ-LDWIPMOCSA-N	301.144	1.102	50	20	DDGD	
CCN(C)Cc1cccc(CNCc2ccccc2B(O)O)c1	585022311	LXOWCWFFFQNSIF-UHFFFAOYSA-N	312.222	1.108	50	20	DDGD	
C[C@H]1Oc2cc(F)ccc2[C@@H]1NCc1ccc(B(O)O)cc1	585041184	VQLIUZWKDBANRT-QLJPJBMISA-N	301.126	1.117	50	20	DDGD	
C[C@@]1(C(=O)N2[C@H]3CC[C@H]2CC(=O)NC3)C[C@H]1Br	906900053	GFWFHMKEVZGYEP-APOZVJGGSA-N	301.184	1.039	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2c(F)cccc2N2CCCC2)cn1	735413881	UGCXKLPEANQKAO-UHFFFAOYSA-N	315.352	1.923	50	20	DDGD	
COc1ncccc1C(=O)NNC(=O)COCc1ccccc1	737634378	ARHAISTZTSCMSK-UHFFFAOYSA-N	315.329	1.068	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NC[C@@H](OC)C2CC2)cc1	836490824	MZIKGRKPABOOLM-CYBMUJFWSA-N	322.365	1.456	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CC[C@H](c3cccnc3)C2)cn1	491005860	CCUANLUEVJNIEM-BESIOYJRSA-N	307.357	1.738	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(C#N)ccc1OCCOC	495154802	LRHNJJNSMWOHLA-UHFFFAOYSA-N	322.321	1.366	50	20	DDGD	
COc1cccc(NCC(=O)NN=C2C[C@H](C)n3ccnc32)c1	834933255	NPRXGSOQEGIVHC-NSHDSACASA-N	313.361	1.789	50	20	DDGD	
Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CC[C@H](B(O)O)C1	585068362	BKIUZZVNFIDKOH-AWEZNQCLSA-N	321.230	1.164	50	20	DDGD	
Cn1cc(-c2nc3ccccn3c2NC(=O)NNC(=O)O)cn1	833041806	WLWAUJIUSITDAT-UHFFFAOYSA-N	315.293	1.039	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)[C@H]1CCCCO1)c1ccncc1	838536041	YYWPXIIIZZCZNB-CYBMUJFWSA-N	320.393	1.259	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2C[C@H](C)n3ccnc32)n1	836629734	WVUGDZUKHQVNMB-VHSXEESVSA-N	317.353	1.322	50	20	DDGD	
CN(Cc1nnc2n1CCC2)C(=O)[C@@]1(C)C[C@H]1Br	905848849	AOLUABAHXJSVOC-PELKAZGASA-N	313.199	1.356	50	20	DDGD	
Cc1cn(C)nc1C(=O)NNC(=S)Nc1cccc(C)c1C	839489162	YNVTZNLRDFQGCN-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
CSC1(CNC(=O)NNC(=O)[C@H]2CCCCO2)CCC1	836428194	FXQLZDRASKUPOE-SNVBAGLBSA-N	301.412	1.172	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1ccccn1	734807389	NHHHBRIIHCOACI-VHSXEESVSA-N	317.295	1.925	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC(COC)COC)c1ccccc1	836613833	TZICONOTHUTSKC-CQSZACIVSA-N	323.393	1.172	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCc2cncn2C)c(F)c1	837205883	FEOWWRCNAYNECR-UHFFFAOYSA-N	320.324	1.422	50	20	DDGD	
COC[C@@H](NCc1ccc(B(O)O)cc1F)c1ccc(F)cc1	585027058	NVWKBGATQUVGMF-MRXNPFEDSA-N	321.132	1.122	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)NCCN1CCOCC1	913843680	JMDNTVWFOPQVSR-UHFFFAOYSA-N	312.801	1.607	50	20	DDGD	
CCOC(=O)[C@H](CC(=O)NNc1c(F)cccc1F)C(C)=O	830782798	XZEPQQNBFVYCND-SECBINFHSA-N	314.288	1.566	50	20	DDGD	
CCCCC[C@H](O)C(=O)NNc1cccc(C(=O)OC)c1F	837061795	OKGYSDBQQOGNFO-LBPRGKRZSA-N	312.341	1.997	50	20	DDGD	
CCN1CC[C@@H](NC(=O)NNc2ccc(C)cc2Cl)C1=O	838583652	DTXNJVBIBSHNBW-GFCCVEGCSA-N	310.785	1.895	50	20	DDGD	
CN(NC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1)c1ccccc1	732261749	LLPJEJBQVVTDPU-UHFFFAOYSA-N	310.313	1.811	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1ccc2nc(O)oc2c1	735688226	FMBHFXCLVZNRMA-UHFFFAOYSA-N	305.681	1.734	50	20	DDGD	
CSc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)nc1	831650841	YFJVYHWSFKAYDO-WPRPVWTQSA-N	310.379	1.381	50	20	DDGD	
CC[C@H](C)C(C)=NNC(=O)Cn1nnc(-c2ccccc2)n1	915907416	LVWCYFDJODVMSC-NSHDSACASA-N	300.366	1.878	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccc(C)cc2O)cc(O)c1O	917556289	QIXXKWPPSARQTC-UHFFFAOYSA-N	316.313	1.884	50	20	DDGD	
CC(C)=CCC[C@@H](C)NC(=O)NNC(=O)N=c1cc[nH]cc1	836563837	IZKBXXXEMDJIKH-GFCCVEGCSA-N	305.382	1.974	50	20	DDGD	
CC[C@H](C)C[C@H](C)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	745887402	ABRIYWMEYYZTSA-GVXVVHGQSA-N	305.444	1.192	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CC(F)(F)F	915058623	RYIVPXBEXHQEBT-SSDOTTSWSA-N	308.231	1.693	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=Cc1ccc2ccccc2n1	743447710	LUBQKNFSZJGNBO-UHFFFAOYSA-N	323.312	1.129	50	20	DDGD	
O=C(NNc1cc(O)nc2ncccc12)[C@@H]1C[C@]12CCOC2	913991390	QZRMKDJPVDKHSI-BONVTDFDSA-N	300.318	1.205	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@@H]1COc2ccccc2C1	916635916	JQZLRBMZPKZYDF-ZDUSSCGKSA-N	303.362	1.511	50	20	DDGD	
Cc1nccc(CCC(=O)NNc2nc3ccccc3n2C)n1	848380838	UMPFDIKXAKCIFZ-UHFFFAOYSA-N	310.361	1.748	50	20	DDGD	
O=C(NN=Cc1ccc(Oc2cnccn2)cc1)c1cnccn1	743433946	HEHXBOILRYOKAB-UHFFFAOYSA-N	320.312	1.823	50	20	DDGD	
CCc1c(NC(=O)NNC(=O)CCCN)cnn1CCC(C)C	841218217	SYFZBUQSUWSZTL-UHFFFAOYSA-N	324.429	1.383	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)N[C@@H](C)CN)c1	841982077	JLHRSVIJHRHEIR-LBPRGKRZSA-N	322.409	1.175	50	20	DDGD	
COc1cc(C(=O)NN=C2CCO[C@@H]2C)cc(OC)c1OC	747744714	RMBKRWUGGXYLNZ-SECBINFHSA-N	308.334	1.607	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(N(C)C)nc2ccccc12	910152332	OMLQOVXFNRMHRH-NSHDSACASA-N	302.378	1.258	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H]([C@@H]1CCCO1)C1(CO)CCC1	912203872	CBFHJIQKPGKXLE-YVAPMFQZSA-N	308.378	1.257	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CCCn2ccccc2=O)n1	748336692	XVHUDWXGPLXGLE-UHFFFAOYSA-N	321.768	1.524	50	20	DDGD	
CC(C)Cn1nccc1C(=O)NNC(=O)c1ccccc1O	844129860	UMMMAWVBJNXDMZ-UHFFFAOYSA-N	302.334	1.320	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@H](C)C(F)(F)F	742476555	ANOFNMMCWCYMFB-YUMQZZPRSA-N	322.258	1.939	50	20	DDGD	
CCSc1cccnc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843656557	AZHYCAQNYKQEKS-VHSXEESVSA-N	309.391	1.380	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc1	746886025	HKFJFVXTCPNWOH-HNNXBMFYSA-N	312.325	1.920	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1cccc2c1OCCC2	844644519	CMJKMIUEFRCPNT-UHFFFAOYSA-N	312.391	1.367	50	20	DDGD	
Cc1cc(F)cc(C#N)c1S(=O)(=O)NCCCSC#N	917007865	UMUGQJDQBQDOCB-UHFFFAOYSA-N	313.379	1.888	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)/C=C\Sc1ccccc1	843640061	AWXKGWLMOVDMDB-XPHDJTGDSA-N	306.387	1.865	50	20	DDGD	
COC/C(C)=C/C(=O)NNC(=O)c1ccc(Cl)cc1OC	845123748	DJSICWLOJVCPJY-RMKNXTFCSA-N	312.753	1.702	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCCOC2CCC2)c1	743507869	JNXLGUOBSJHNGC-UHFFFAOYSA-N	321.377	1.273	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)N(C)C)cc(C#N)n1C	744633722	YXYSBJCPYUWUAB-RYPVXOHGSA-N	314.345	1.132	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc(/C=C/C(=O)OC)o1	848639434	ULOBPEKOIIKTBR-BTHQEHEQSA-N	304.302	1.135	50	20	DDGD	
CO[C@@]1(C=NNC(=O)c2cnn(-c3ccccc3)c2)CCOC1	841624007	AMYXELCTRKAFKJ-MRXNPFEDSA-N	314.345	1.393	50	20	DDGD	
C[C@@H]1C(=O)CCCN1C(=O)NC[C@]1(C)C[C@H]1Br	923374397	SWISSOUJXRSVDI-UISBYWKRSA-N	303.200	1.923	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H](c1ccccn1)C1CC1	925566330	GVIOHECIYJTHOE-ZKYQVNSYSA-N	318.377	1.288	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CO[C@H]2CCCC[C@H]2C)n1	746622650	BIFVIMJSPKNHCN-PWSUYJOCSA-N	308.382	1.832	50	20	DDGD	
COCCCC(C)=NNC(=O)C1CCN(c2ncccn2)CC1	759194569	FLDHQLIHKGLJON-UHFFFAOYSA-N	319.409	1.612	50	20	DDGD	
Cc1nnc(CC(=O)NC[C@]2(C)C[C@@H]2Br)s1	857735276	ZGXRFCXGEMBXFZ-XVKPBYJWSA-N	304.213	1.679	50	20	DDGD	
CCn1ncc(C)c1NC(=O)C(=O)NNc1ccc(OC)cc1	850421721	XTRIEYWTESYBNK-UHFFFAOYSA-N	317.349	1.302	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc(OCCOC)c1	756010470	VVZKDZVIQBACPA-LLVKDONJSA-N	309.366	1.911	50	20	DDGD	
Cn1cc(C=NNC(=O)c2cc[nH]n2)c(C2CCCCC2)n1	853392323	LVCWEAFCMJZVDL-UHFFFAOYSA-N	300.366	1.955	50	20	DDGD	
CC[C@H](CN1CCCC1)NC(=O)NNc1cncc(Cl)n1	758850798	DFHDSJFTRYEMDQ-SNVBAGLBSA-N	312.805	1.631	50	20	DDGD	
CCOC(=O)c1sc(NC(=O)NNC(=O)COC)cc1C	756287381	UAIGMEMEBHHURW-UHFFFAOYSA-N	315.351	1.032	50	20	DDGD	
CON(C)C(=O)CNC(=O)NNc1ccc(Cl)cc1C	922936915	ISINKQFUCYNKME-UHFFFAOYSA-N	300.746	1.294	50	20	DDGD	
CC(C)C1(C(=O)NNC(=O)c2c[nH]c3ccccc23)COC1	929390002	AZDYIGQNJVPLPW-UHFFFAOYSA-N	301.346	1.602	50	20	DDGD	
CC(C)C1(C(=O)NNC(=O)c2ccc3ccccc3n2)COC1	929101042	WYESPSKIHVJRKA-UHFFFAOYSA-N	313.357	1.668	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cccc(OC2CC2)c1F	853313413	CMBWUOPPDLXAHX-NSHDSACASA-N	324.352	1.869	50	20	DDGD	
C[C@H]1C[C@@H]1c1ccc(C=NNC(=O)C(=O)Nc2ccccn2)o1	758381781	RPDKNUHUCJYVRN-JQWIXIFHSA-N	312.329	1.887	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc(Cl)cn1	854281139	ALPMKILHDODWLO-UHFFFAOYSA-N	316.814	1.223	50	20	DDGD	
CCOc1cncc(C=NNC(=O)CNC(=O)OC(C)(C)C)c1	857211715	MNTIZKJBOHJORO-UHFFFAOYSA-N	322.365	1.455	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)Cn1nc(C)cc1C)c1ccco1	854231801	IPTAQAVWQGYVPJ-JXMROGBWSA-N	302.334	1.344	50	20	DDGD	
CCN(CC)C(=O)COc1ccc(C(C)=NNC(=O)NC)cc1	920377476	XXBHNCOSJOYRFK-UHFFFAOYSA-N	320.393	1.587	50	20	DDGD	
CC(=O)Nc1ccccc1C=NNC(=O)NCC(F)(F)F	755660253	FECURHVEGGGKIX-UHFFFAOYSA-N	302.256	1.840	50	20	DDGD	
C[C@H]1CC(=NNC(=O)CNC(=O)c2cccs2)CN1C1CC1	753960003	NVLNACWOZIDPJF-JTQLQIEISA-N	320.418	1.207	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccccc1[S@](=O)C(F)(F)F	929288965	YGXSDYUSMVWCBT-NRFANRHFSA-N	322.308	1.731	50	20	DDGD	
CN(C)[C@H](C(=O)NNc1ccnc(Cl)c1)c1cncn1C	855466090	GLGKNKCLDNMPAK-LBPRGKRZSA-N	308.773	1.215	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)c1ccccc1)C(=O)OC(C)(C)C	854138564	PCLCXGLHMBDBFU-MRXNPFEDSA-N	322.361	1.194	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccnn1C(F)F	855093527	FUBNXXQLSXXDDY-UHFFFAOYSA-N	303.338	1.187	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCC[C@]1(O)CCCOC1	854223627	GJCGGYDQCNNFMH-OAHLLOKOSA-N	311.357	1.692	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccoc1Cl	854284236	BNWDMXKWCHXRKC-UHFFFAOYSA-N	305.787	1.421	50	20	DDGD	
COc1cccc(C(=O)NNc2ccc(C(F)(F)F)nn2)n1	755197427	MXYCTCAQWYGZON-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
O=C1Nc2cccc(Cl)c2C1=NNC(=O)N1CCOCC1	750935881	IXHPJAOHTLUSLZ-UHFFFAOYSA-N	308.725	1.038	50	20	DDGD	
C#CCC[C@H](O)CNC(=O)NC[C@]1(C)C[C@H]1Br	856959652	WJUICUFDHVYUGS-UMNHJUIQSA-N	303.200	1.233	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C[C@](C)(O)C2CC2)ccc1C	857266753	GQDYXRHRUCDLII-INIZCTEOSA-N	306.362	1.776	50	20	DDGD	
C[C@@H](C=NNC(=O)[C@@H](C)NS(C)(=O)=O)CC1CCCCC1	758107711	MDVNXDAVUHXJSS-VXGBXAGGSA-N	317.455	1.633	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(-n2cnnn2)c(C)c1	755679436	NBRGVQMDZYORAP-VIFPVBQESA-N	317.353	1.170	50	20	DDGD	
CC(C)c1cccc2c1OCCC2=NNC(=O)[C@@H]1CCC(=O)N1	863148073	SKPFOMRAWWJASI-AWEZNQCLSA-N	315.373	1.691	50	20	DDGD	
COCCCOc1cccc(C(=O)NN(C)CCOC)c1C	935911002	WILQANYRPPAUJR-UHFFFAOYSA-N	310.394	1.633	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1C	861452002	KBBILQUNVOKMKM-MNOVXSKESA-N	307.350	1.581	50	20	DDGD	
COc1ccc(NNC(=O)c2cn(C3CC3)nn2)c([N+](=O)[O-])c1	860218254	SHYQADWSRBMZIP-UHFFFAOYSA-N	318.293	1.287	50	20	DDGD	
COCc1ccc(C=NNC(=O)c2ccc3c(c2)OCCO3)o1	764675703	HFAUHXDNSNTKGI-UHFFFAOYSA-N	316.313	1.961	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1	868240957	KSWFUFPJCWFXTI-RYUDHWBXSA-N	321.377	1.643	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=C1CC(C(F)F)C1	766016371	UMUWCLRJJGKZBG-YZTHKRDXSA-N	317.380	1.879	50	20	DDGD	
CCc1[nH]nc(C(=O)NNc2nc3ccccc3[nH]2)c1[N+](=O)[O-]	768503494	KIIXEZLPXBCUEL-UHFFFAOYSA-N	315.293	1.514	50	20	DDGD	
Cc1ccc([C@@H](C)C=NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1	863090402	KSNSNWFJWGPBLA-NWDGAFQWSA-N	311.407	1.138	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1c[nH]nc1-c1c(F)cccc1F	767780641	USWHVQXFSPKAEF-UHFFFAOYSA-N	306.272	1.526	50	20	DDGD	
CC(C)[C@H](NC=O)C(=O)NNc1ccc(Br)cc1	860314116	BLNXQOHMUJCJAI-NSHDSACASA-N	314.183	1.663	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C(=O)NC(C)C)C1CCC(C)CC1	763738074	SZYGDZUOVHQWPK-BPCQOVAHSA-N	311.426	1.511	50	20	DDGD	
COCC(=O)NN=Cc1ccc(OC)c(OCCCC#N)c1	761822041	UGWIIQVTWUKFLN-UHFFFAOYSA-N	305.334	1.474	50	20	DDGD	
CNC(=O)[C@@H](C)CN(C)C(=O)[C@H](Br)C(C)(C)C	768222954	IGCUOPMCTMAHQY-IUCAKERBSA-N	307.232	1.637	50	20	DDGD	
CCN(C)c1ccc(C(C)=NNC(=O)[C@H]2CCC(=O)N2)cc1	863149235	VFRMYEXHASKOMS-CQSZACIVSA-N	302.378	1.262	50	20	DDGD	
Cc1cc(Cl)ncc1NC(=O)C(=O)NNc1ncc(F)cn1	1116730244	GTAGKEMFTBZYMK-UHFFFAOYSA-N	324.703	1.054	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccnc(N2CCCCC2)c1	875043793	RUSBXSJQEODCEG-UHFFFAOYSA-N	321.381	1.484	50	20	DDGD	
CCn1ccc(CC(=O)NNC(=S)Nc2cccc(C)c2)n1	873776418	HYAPXUWSEIKPTK-UHFFFAOYSA-N	317.418	1.772	50	20	DDGD	
Cc1cc(NC(=O)NNc2ncccc2Cl)c(=O)n(C)c1	770072878	AOEKHCXSINZIRE-UHFFFAOYSA-N	307.741	1.891	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCc1cn(C)c2ccccc12	875739466	DCMMAHSJRMYDQE-UHFFFAOYSA-N	304.350	1.633	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1cc(O)nc(C2CC2)c1	771735314	MJCPXASEVSFURU-UHFFFAOYSA-N	305.725	1.865	50	20	DDGD	
CNC(=O)c1ccc(Cl)c(NC(=O)NN(C)CCOC)c1	878279655	IMNIDKUUWFKOQE-UHFFFAOYSA-N	314.773	1.314	50	20	DDGD	
CC[C@@]1(C(=O)NNc2cccc(C(F)(F)F)n2)CCNC1=O	878923060	QUTMXLSXCNKMIO-GFCCVEGCSA-N	316.283	1.460	50	20	DDGD	
CCOc1nc(C(=O)NNc2nc(-c3ccccc3)no2)co1	772949302	YYVXFWQRCCPKBE-UHFFFAOYSA-N	315.289	1.880	50	20	DDGD	
CC(=NNC(=O)Cc1cn2ccccc2n1)[C@@H]1CCCOC1	779774300	DHOCDXMFDDFKJD-CYBMUJFWSA-N	300.362	1.796	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccnc2ccccc12	771908595	JVKBRVPGTIFFBD-JTQLQIEISA-N	315.329	1.338	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)Oc1ccccc1F)c1cn(C)cn1	872334118	MKLKOGIARHROKI-LLVKDONJSA-N	304.325	1.867	50	20	DDGD	
CC(C)(C(=O)NNc1nc(-c2cccnc2)no1)c1cccnc1	778267496	DEIBTGQXZGDDOR-UHFFFAOYSA-N	324.344	1.948	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C(C)(C)CO)c1C	776316677	NSIFEKXBRHLCSJ-LBPRGKRZSA-N	308.378	1.237	50	20	DDGD	
CCC[C@H](C)CC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	772064474	CRCPZDRTVIPVMN-RYUDHWBXSA-N	300.399	1.938	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccc(F)cc1C(F)(F)F	771883950	DZYRFONXUDXSJQ-UHFFFAOYSA-N	319.258	1.819	50	20	DDGD	
N#CSCCCNC(=O)C1CCN(c2cnccn2)CC1	773572086	PSIYGWULJJAJRV-UHFFFAOYSA-N	305.407	1.414	50	20	DDGD	
C[C@H]1CC(=NNC(=O)C2CCN(c3ncccn3)CC2)CCO1	773207739	MQXSBPBYGBIZNL-LBPRGKRZSA-N	317.393	1.364	50	20	DDGD	
CO[C@]1(CNC(=O)NNc2c(F)cccc2Cl)CCOC1	771352668	KSSXSTKFLFMQKL-ZDUSSCGKSA-N	317.748	1.911	50	20	DDGD	
Cn1cc(-c2n[nH]cc2C(=O)NNc2ccc(Cl)nn2)cn1	781934067	VSBMNFVUFAZHCL-UHFFFAOYSA-N	318.728	1.011	50	20	DDGD	
CC1(C)CC[C@H](C(=O)OCC(=O)NNC(=O)c2cccs2)C1	781705301	OCZGBKVBVJRJMD-JTQLQIEISA-N	324.402	1.879	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1cccc(C(F)F)c1	780384763	TUWLRNCKGHUYQQ-UHFFFAOYSA-N	307.322	1.527	50	20	DDGD	
O=C(NNC(=O)c1ccnn1CC(F)F)c1ccccc1F	789867696	WUULJCBVSFQBRM-UHFFFAOYSA-N	312.251	1.362	50	20	DDGD	
N#Cc1cccc(NC(=O)C(=O)NNc2ccc(Cl)nc2)c1	784871527	NGRLIGWILLAAHL-UHFFFAOYSA-N	315.720	1.688	50	20	DDGD	
Cc1c(NNC(=O)c2cccc3nn[nH]c23)cccc1[N+](=O)[O-]	783685528	GEENPYBQPCGKPM-UHFFFAOYSA-N	312.289	1.931	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1sc(N2CCCC2)nc1Cl	780755312	UDWMHINOJUNHFI-UHFFFAOYSA-N	323.809	1.971	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@H](c2ccncc2)C2CC2)cn1	890903355	FFHAMMMXBLURIS-YMDFIQGPSA-N	307.357	1.990	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCC[C@@H]2CCCCO2)c1	780006460	JFYKIFKWZKFIBT-AWEZNQCLSA-N	316.361	1.461	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)C(=O)Nc1ccc(F)cc1	784790357	XSTBWMMFZBXPOU-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
O=C(CCc1ccc(Cl)cc1)NNC(=O)CN1CCCC1=O	789888325	CKOBYXUFFLKYKW-UHFFFAOYSA-N	323.780	1.042	50	20	DDGD	
Cc1ccncc1C(=O)OCC(=O)NNC(=O)c1cccs1	785884132	RFPMAJUOIXMXNT-UHFFFAOYSA-N	319.342	1.070	50	20	DDGD	
CCCNC(=O)NC(=O)COC(=O)/C(C#N)=C\c1ccccc1	785367229	UJPXPIUZUBTRJK-LCYFTJDESA-N	315.329	1.373	50	20	DDGD	
Cn1ncc(Cl)c1C=NNC(=O)COc1ccccc1F	780195589	CYUVOCHKRDZTAD-UHFFFAOYSA-N	310.716	1.742	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])c(C)c2)n1	794077037	SCULESFWEQXDJM-UHFFFAOYSA-N	314.301	1.681	50	20	DDGD	
O=C(CCc1cnc[nH]1)NNC(=O)Cc1ccc(Cl)cc1	792823658	WUCVIAYQPCVRMS-UHFFFAOYSA-N	306.753	1.386	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1ccccc1	795181700	NBBILHLQDWOJNE-UHFFFAOYSA-N	319.386	1.694	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1cn2c(n1)CCCC2	799721126	TXXOVJKSQKLFPZ-UHFFFAOYSA-N	308.345	1.920	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2cccc(C)n2)cc1	794081462	HFVBRLNKESPAOY-UHFFFAOYSA-N	313.313	1.251	50	20	DDGD	
NC(=O)COC1CCN(C[C@@H](CBr)C2CC2)CC1	1331556485	WFJLPCNDWVIGHV-LLVKDONJSA-N	319.243	1.374	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1cccnc1N(C)C	798309958	HBRMNOQEAPHKRE-UHFFFAOYSA-N	313.361	1.923	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ncccc2Cl)c1	794291943	BHIBDPVKMKLXCW-UHFFFAOYSA-N	300.705	1.681	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNc1cncc(Br)c1	1319528335	FVUCZLCBSWCGKF-ZETCQYMHSA-N	316.155	1.486	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2	1317979727	AMDYURWMAGWEMQ-ACXUVZMJSA-N	320.311	1.418	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2oc(C(C)C)nc2C#N)c[nH]1	1318912386	BUBVLLOLGWWLIU-UHFFFAOYSA-N	301.306	1.423	50	20	DDGD	
CC(C)(C)OC(=O)CCCC(=O)NNC(=O)[C@H]1CCCCO1	1329523363	KOMCMLJLVCVPPC-LLVKDONJSA-N	314.382	1.215	50	20	DDGD	
CCc1c(C(=O)NNc2ccn(C)n2)cnn1-c1ccccn1	1320949258	QERHQQDYGJMTKB-UHFFFAOYSA-N	311.349	1.320	50	20	DDGD	
Cc1nn(CC(F)(F)F)cc1C(=O)NNc1ncncc1F	1324304736	NCTBMISVYPSHNK-UHFFFAOYSA-N	318.234	1.440	50	20	DDGD	
COc1ccc2c(c1)[C@H](C(=O)NNC(=S)NC(C)C)CC2	1321136564	ZJVOFCMLGLBDJE-GFCCVEGCSA-N	307.419	1.629	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccccc1N1CCCC1=O	1324304587	JKGJIFSBBZKROH-UHFFFAOYSA-N	315.308	1.499	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)c1cncn1-c1ccccc1)C1CC1	1323608300	RDYMRMXEZWNNSL-FMIVXFBMSA-N	310.357	1.990	50	20	DDGD	
C[C@H](C(=O)NNC(=O)N=c1cc[nH]cc1)c1ccc(F)cc1F	1256691047	KIQLNDXKEOECIO-VIFPVBQESA-N	320.299	1.738	50	20	DDGD	
COc1nc(Cl)c(C=NNC(=O)c2ccc(O)c(O)c2)n1C	1330329538	SOFONGQIVSLFQD-UHFFFAOYSA-N	324.724	1.257	50	20	DDGD	
CCCN1CCCC[C@H]1C(=O)NNC(=S)N[C@H](C)C1CC1	1331220386	DJOPSJJCFJFGHC-YPMHNXCESA-N	312.483	1.545	50	20	DDGD	
CCCNCCNC(=O)NNC(=O)c1cc2c(s1)CCC2	1345153201	JEGHBYQVBPJKCN-UHFFFAOYSA-N	310.423	1.180	50	20	DDGD	
Cc1nnccc1C(=O)NNC(=O)Nc1cc(F)cc(F)c1	1344706397	SUYBCYIYMXHEJB-UHFFFAOYSA-N	307.260	1.530	50	20	DDGD	
O=C(COCc1ccncc1)NNC(=O)Nc1ccccc1	1347496432	IZRWQTHSFXSORD-UHFFFAOYSA-N	300.318	1.451	50	20	DDGD	
CCOC(=O)C1(NC(=O)/C(C#N)=C\c2cnn(C)c2)CCCC1	1347770048	CNVMIGSKRZSZGH-JYRVWZFOSA-N	316.361	1.319	50	20	DDGD	
Cc1ccccc1C1=NO[C@@H](C(=O)NNC(=S)NC(C)C)C1	1353971937	FLMZVGLABJDTQJ-CYBMUJFWSA-N	320.418	1.392	50	20	DDGD	
Cc1c(Br)c(C(=O)NNC(=O)CC2CC2)nn1C	1520213631	JPKJVTSKIQFMOD-UHFFFAOYSA-N	315.171	1.052	50	20	DDGD	
CC[C@H](NNC(=O)[C@@H](C)Oc1cccc(Cl)c1)C(=O)O	1605100077	XOHMACWNWBYLLH-KCJUWKMLSA-N	300.742	1.591	50	20	DDGD	
O=C(O)C1(C(=O)NNc2ncccc2Br)CCC1	1605935566	PAUWOVFPHBVPJA-UHFFFAOYSA-N	314.139	1.542	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1n[nH]cc1-c1nn[nH]n1	1606336733	JPSCOHXXSLPBLV-WEVVVXLNSA-N	324.279	1.275	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H]2CCO[C@H]2C)ccc1-c1nn[nH]n1	1605652048	CDUGXYYIMPVXLJ-GXFFZTMASA-N	314.349	1.050	50	20	DDGD	
CN(C)c1ccncc1C(=O)NNc1ccccc1C(=O)O	1606065748	HPHFBKUCLDCIOO-UHFFFAOYSA-N	300.318	1.603	50	20	DDGD	
O=C(Cc1ccc(C(=O)O)nc1)NNc1ccc([N+](=O)[O-])cc1	1601358065	HQBCXPQHADICES-UHFFFAOYSA-N	316.273	1.374	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2cccc(C(=O)O)n2)c1	1600647284	BKVFMYKXZKHNHX-UHFFFAOYSA-N	305.315	1.225	50	20	DDGD	
COCC1(CCNC(=O)NNc2ccc(CC(=O)O)cc2)CC1	1606839384	OJGSOEHHODQGDD-UHFFFAOYSA-N	321.377	1.757	50	20	DDGD	
COCC[C@H](C)CNC(=O)NNc1ccc(CC(=O)O)cc1	1606852361	ITGHQJDHEURIBL-NSHDSACASA-N	309.366	1.612	50	20	DDGD	
N#C/C=C(/c1ccc(F)cc1)N1CC[C@@]2(CC(C(=O)O)=NO2)C1	1601062831	KGQUEICAEUJUCK-ZVRDQUNJSA-N	315.304	1.996	50	20	DDGD	
Cc1cccnc1C(=O)NN=C1CCN(CCC(=O)O)CC1	1610533785	GSUNHWIOXIWTLF-UHFFFAOYSA-N	304.350	1.046	50	20	DDGD	
Cc1ccc(CCC=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)cn1	1549319488	HZZFKVQZMHUIAE-HZPDHXFCSA-N	316.405	1.288	50	20	DDGD	
O=C(O)CC[C@@H]1CCCN(S(=O)(=O)CCCCCl)C1	1611426050	QFJFNFDJIOOUIB-NSHDSACASA-N	311.831	1.912	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C=NNC(=O)CC(F)(F)F	1552447818	YDCSXXVAQHJRHG-MWLCHTKSSA-N	318.299	1.942	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(-c2cnn[nH]2)cc1Cl	1576176739	ZBAPKDFOVBIAHZ-UHFFFAOYSA-N	308.729	1.688	50	20	DDGD	
COCC[C@H](N)C(=O)NNc1ccc(Br)cc1	1578998424	YAOPAHCPMSMRIL-JTQLQIEISA-N	302.172	1.256	50	20	DDGD	
CC(C)(C(=O)NNc1ccccn1)c1ccc(-c2nn[nH]n2)cc1	1573782522	BNBMLRITZVZRFA-UHFFFAOYSA-N	323.360	1.683	50	20	DDGD	
CC[C@H](C)C[C@@H](N)C(=O)NNc1ccc(C)c(C(=O)OC)c1	1576981841	LXRDSLHGPNYDEK-IINYFYTJSA-N	307.394	1.988	50	20	DDGD	
CC(C)CC[C@@H](N)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	1575561136	UYKWPHPGUIFHKH-LLVKDONJSA-N	322.365	1.332	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)[C@H]2CCCN2)c1	1574034981	HCLXMDXBQAXYTK-SNVBAGLBSA-N	312.757	1.253	50	20	DDGD	
CC(C)[C@@H](N)C(C)(C)C(=O)NNC(=O)c1c[nH]c2ccccc12	1575448092	WVYGOZWHOISFAZ-CQSZACIVSA-N	316.405	1.938	50	20	DDGD	
COc1cccc([C@H](N)C(=O)NNC(=O)c2ccc(C)o2)c1	1579264178	IPYDESFEHHXNGS-ZDUSSCGKSA-N	303.318	1.058	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)COC	1847863094	QXBJEJKAGRGBCT-CYDGBPFRSA-N	316.829	1.488	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)c2cocn2)C1	1842544905	BOJITPCFCBHKDS-SECBINFHSA-N	301.705	1.026	50	20	DDGD	
O=C(CC1(O)CCC1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843367337	VJSAVVNEUPKLPJ-NSHDSACASA-N	318.776	1.029	50	20	DDGD	
O=C(c1ccccn1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843363335	YZZHKNIRDWLOED-NSHDSACASA-N	311.744	1.433	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)N[C@H]1C[C@H](C(=O)O)C1	1594782759	KIXVJUZABQMMPU-KYZUINATSA-N	323.374	1.044	50	20	DDGD	
O=C(NCCc1ccco1)NNc1cccc(-c2nn[nH]n2)c1	1593105744	PTCNHCBMMXGBSN-UHFFFAOYSA-N	313.321	1.329	50	20	DDGD	
COC[C@]1(C(=O)NNc2cccc(C(=O)O)c2F)CCOC1	1599185790	DJSGQVSVMQFZLO-CQSZACIVSA-N	312.297	1.020	50	20	DDGD	
CCOCC(=O)NN=C(CC)c1ccc(-c2nn[nH]n2)cc1	1590799288	XRFQEFSPLWTRIM-UHFFFAOYSA-N	302.338	1.134	50	20	DDGD	
COC(C)(C)C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1591316271	NCWDDAALYDRRRR-UHFFFAOYSA-N	310.745	1.388	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@@H]2CC[C@@H]2C(=O)O)c1	1593704334	SBKVZQAYMUYDIK-NEPJUHHUSA-N	320.349	1.334	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=C1CC[C@H](C(=O)O)c2ccccc21	1776058087	FHHWNBRHNAWXMG-HNNXBMFYSA-O	324.360	1.457	50	20	DDGD	
O=C(O)c1ccc2c(c1C=NNC(=O)[C@@H]1CCCS1)OCO2	1776081953	ONKFAULPPRUKND-NSHDSACASA-N	322.342	1.459	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1cc(Cl)cc(Cl)c1	16129894	USZHUUFVDIBDLV-UHFFFAOYSA-N	313.162	1.933	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cc(-n2cccn2)ccn1	150865539	XRXCCWNVTCJNDF-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
O=C(CCl)NCCNC(=O)c1cccc(Br)c1	169911266	LFXKNNAYQJGPLB-UHFFFAOYSA-N	319.586	1.534	50	20	DDGD	
CCC(CC)CNC(=O)NNC(=O)COc1ccc(C#N)cc1	160549363	PLYYVURKKZJAPJ-UHFFFAOYSA-N	318.377	1.704	50	20	DDGD	
C[C@@H]1OCC[C@H]1SCC(=O)NNC(=O)c1cccs1	163518982	KYTBLPPYOWNGIF-DTWKUNHWSA-N	300.405	1.420	50	20	DDGD	
CSCc1noc(CCC(=O)NNc2cc(C)nc(C)n2)n1	153484342	UNLGHQGKVOQMCD-UHFFFAOYSA-N	322.394	1.415	50	20	DDGD	
C[C@]12CCC(=O)N1[C@@H](C(=O)NNc1ccc(C#N)cc1)CS2	155552317	SQQDCKHYWBKHGX-DOMZBBRYSA-N	316.386	1.455	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@@H](C)N2CCC(C)CC2)nc1	157510538	OAJVWGHLGOOKJO-CYBMUJFWSA-N	321.425	1.837	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1cccc(OC(F)F)c1	155707966	LIHCGESPLPRFBV-UHFFFAOYSA-N	302.281	1.002	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@H](C)Cn2cccn2)nc1	156925489	IXQKVHYGSJXSTE-NSHDSACASA-N	304.354	1.249	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CC[C@@]3(CCOC3)C2)cc(C#N)n1C	154943443	RTLCDDORTUCZRP-CFQIGZHASA-N	324.384	1.751	50	20	DDGD	
COc1ccc(CN(C)NC(=O)OCc2ccccc2)nn1	859386089	CCJQOADGMRIVKA-UHFFFAOYSA-N	302.334	1.758	50	20	DDGD	
C=CCOc1ccc(C(=O)NNC(=O)Cc2cccnc2)cc1	103423946	GNFXLPQYDYZRSM-UHFFFAOYSA-N	311.341	1.650	50	20	DDGD	
O=C(C[C@H]1COC(=O)C1)NNc1ccc(Br)cc1	178473291	NDTQHRYJJZCUHT-MRVPVSSYSA-N	313.151	1.845	50	20	DDGD	
CC(C)(C)NCC(=O)NNC(=O)c1cccc2cccnc12	51415432	HTQFQGPNXWHFFD-UHFFFAOYSA-N	300.362	1.384	50	20	DDGD	
O=C(CN(c1ccccc1)C1CCCC1)NNC(=O)C1CC1	112981695	JHTKAAGPNJWCEZ-UHFFFAOYSA-N	301.390	1.993	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)N2CCc3ccccc3C2)ncn1	172274392	ITMCTAATWMMING-CYBMUJFWSA-N	311.389	1.675	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)n1	21127425	INWGWMKOTHSINE-ZDUSSCGKSA-N	312.329	1.318	50	20	DDGD	
CC(C)CC[C@H]1CCC[C@@H]1NC(=O)NNC(=O)c1cnn(C)c1	172226502	WRNXVYIPKPMWCV-OCCSQVGLSA-N	321.425	1.969	50	20	DDGD	
N#Cc1ccc(CC(=O)NNC(=S)Nc2ccccn2)cc1	178152849	QWLWJIFVKQULLW-UHFFFAOYSA-N	311.370	1.514	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@@H](C)C1CC1	178375946	JBGFVOIOTPXCQN-NSHDSACASA-N	306.362	1.658	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccc(-n3ccnc3)cc2)nn1	171557396	RXIAMHOBIXSHPS-UHFFFAOYSA-N	323.360	1.797	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)Cc1ccccc1[N+](=O)[O-]	28716382	PDZZNZWLBYYACC-UHFFFAOYSA-N	310.379	1.431	50	20	DDGD	
CC(C)[C@H]1CN(S(=O)(=O)CBr)CCCO1	307100043	SLZGBZJVPYUXJZ-SECBINFHSA-N	300.218	1.416	50	20	DDGD	
C#CCN1CCN(C(=O)/C(C#N)=C\c2ccc(OCC)cc2)CC1	112920822	RMUBSIKTFMNBJE-VKAVYKQESA-N	323.396	1.770	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1nc(CN2CCOCC2)cs1	29469210	KQSWPHXLJDTDSI-DHZHZOJOSA-N	322.390	1.358	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccc(C#N)cc1)c1ccccn1	60995288	FUJXNBXOSFPDEI-LLVKDONJSA-N	309.329	1.658	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1ccc(F)cc1F)C(C)C	113430285	OUFFDZFKWQVBDD-NSHDSACASA-N	301.293	1.789	50	20	DDGD	
CC1(C)[C@@H](NC(=O)NNc2nc3ccccn3n2)[C@@H]2CCO[C@@H]21	189242666	QDOVREXVISDNOG-DLOVCJGASA-N	316.365	1.169	50	20	DDGD	
O=C(/C=C/c1cccc(O)c1)NNc1nc(-c2ccncc2)no1	183538075	QXMVSCKJLCBTAF-SNAWJCMRSA-N	323.312	1.994	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(Cl)c(F)c1	127488882	KUBNECAGOGTZLK-UHFFFAOYSA-N	303.721	1.460	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)Cc2c[nH]c3ccccc23)no1	73117622	LYQCBNHHCYSPHY-UHFFFAOYSA-N	313.317	1.860	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cc(F)ccc2F)nc1	124287220	PYNOAKJABHLWCM-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
Cc1cccc(F)c1NC(=O)C(=O)NNc1cncc(Cl)n1	128251141	FVVJVGKXICECCZ-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
COCc1ccc(C(=O)NNC(=O)c2ccc(Cl)nc2)cc1	77248647	RVUVAHYNUYSQIB-UHFFFAOYSA-N	319.748	1.956	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1CCOC2(CCCC2)C1	120672437	BYUKVFHSXGHKDT-UHFFFAOYSA-N	318.377	1.010	50	20	DDGD	
Cc1ccccc1-n1nc(C(=O)NN(C)C(N)=O)c2c1CCC2	181066800	APQPLHLQDLMUQH-UHFFFAOYSA-N	313.361	1.325	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)NC2CCCC2)cc1OC	31026791	CETDBSWJQOYATP-UHFFFAOYSA-N	321.377	1.981	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(N3CCCC3)nn2)n1	180737439	JXYMHNPQZWUHQV-UHFFFAOYSA-N	314.349	1.237	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cnn(Cc2ccccc2)c1	127231323	SJZHPPVLUVHDGZ-UHFFFAOYSA-N	300.362	1.739	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1	181962720	JEKOBOLQZCFWDG-UHFFFAOYSA-N	318.377	1.875	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCCC2)c1ccccc1O	188124550	JJBXOKWINCSKLY-UHFFFAOYSA-N	314.345	1.459	50	20	DDGD	
CC1(Cn2cc(C(=O)NNc3ccccc3F)nn2)COC1	184013868	MYQGFYHXJFGENY-UHFFFAOYSA-N	305.313	1.211	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cnn(-c2ccccc2)n1	133810066	NRQBPHYIRXMGSB-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
O=C(NNc1nc2ccccc2c(=O)[nH]1)c1ccnc(Cl)c1	137232713	RPCIECXDOQNKGI-UHFFFAOYSA-N	315.720	1.728	50	20	DDGD	
CS(=O)(=O)N1CCC[C@@H]1C(=O)NNc1cccc(Cl)c1	48461946	LRZCTCDJECXOKT-LLVKDONJSA-N	317.798	1.207	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@H](c1ccco1)N1CCCC1	40809625	VTHUYOKCRJEYLR-GFCCVEGCSA-N	320.842	1.965	50	20	DDGD	
CCOC(=O)NCC(=O)NNc1ccccc1C(F)(F)F	194532634	VMNDKWLYZLZXRG-UHFFFAOYSA-N	305.256	1.895	50	20	DDGD	
COc1cccc([C@@H](C)CC(=O)NNC(=O)[C@@H]2CCCO2)c1	84582553	VGAXOPMJIYGTTG-FZMZJTMJSA-N	306.362	1.515	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C(=O)c2ccccc2)cc1	194926755	QOVQZGYMECWMLE-UHFFFAOYSA-N	311.341	1.437	50	20	DDGD	
CCn1cc([N+](=O)[O-])c(C(=O)NNc2cccc([N+](=O)[O-])c2)n1	191865292	WCNMJCMMNFJMCX-UHFFFAOYSA-N	320.265	1.476	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Cc2ccc(O)cc2)cc1	96968617	MQDKNVYNXKCRRJ-UHFFFAOYSA-N	314.341	1.470	50	20	DDGD	
Cn1cc(CNC(=O)NN=c2sc3ccccc3n2C)cn1	255893959	MMNUDOBILXMRSK-UHFFFAOYSA-N	316.390	1.288	50	20	DDGD	
CCC[C@@H]1C[C@H]1NC(=O)NNC(=O)c1ccc(OC)cc1OC	267646859	BLAVOSKREUXSGV-ZWNOBZJWSA-N	321.377	1.836	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CCOc1cccc(C=O)c1	264592674	QUVOZQTZCKQFRO-UHFFFAOYSA-N	308.334	1.824	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C[C@@H]1Oc2ccccc2NC1=O	263645751	CGTGKISAUBQCCS-NSHDSACASA-N	321.333	1.332	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1cccc(N2CCNC2=O)c1	264703873	HPXPVEULSLRLDZ-UHFFFAOYSA-N	317.349	1.169	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1ccc(C(C)(C)C)cc1	268886628	SVZXNUDFMRITCH-UHFFFAOYSA-N	321.421	1.894	50	20	DDGD	
O=C(CNCC(F)(F)F)NNc1cc(F)c(F)c(F)c1	266948826	SOQHKBNZTFKISZ-UHFFFAOYSA-N	301.190	1.699	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)[C@H]1CC12CCOCC2	362862416	FTZDUECAGLSYDR-CQSZACIVSA-N	318.373	1.167	50	20	DDGD	
C[C@H]1CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)CC[S@@]1=O	279314180	NVBHLZFTZZBEQN-DPLSVZQDSA-N	318.398	1.669	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)CCc2ccccc2O)CCCOC1	272725613	YPUMGTVDNYRJPP-MRXNPFEDSA-N	306.362	1.289	50	20	DDGD	
N#CC1=CCN(C(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)CC1	271091938	IFVURVGSKRLTLM-QGZVFWFLSA-N	323.396	1.902	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1cnc(Cl)c(F)c1	277591045	GQSBAXGBLNSFEV-UHFFFAOYSA-N	309.750	1.230	50	20	DDGD	
CCC(CC)n1ccc(C(=O)NNc2nccnc2OC)n1	274014690	ASJPNRLVRTWVLJ-UHFFFAOYSA-N	304.354	1.800	50	20	DDGD	
C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)NNc1cncc(Cl)n1	365761471	RHPQVPFHZAWAEC-ISVAXAHUSA-N	319.752	2.278	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NOCCSC)c1ccccc1	279748152	YFVSUEJSQRPTOI-LBPRGKRZSA-N	311.407	1.805	50	20	DDGD	
CC(=O)N1CC[C@@](C)(C(=O)NNc2cc(F)c(F)cc2F)C1	369978263	WNCQAOXGRXAGRH-CQSZACIVSA-N	315.295	1.806	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCCCCCO	271759054	DHFNSWMERFZHDI-UHFFFAOYSA-N	309.366	1.192	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@]1(C)CCCOC1	272608288	GUYDYRWVVCXADP-BDJLRTHQSA-N	324.352	1.557	50	20	DDGD	
O=C(NNc1cnccn1)C1(c2cccc(F)c2)CCOCC1	274736997	KKKOHUBNMYRAOP-UHFFFAOYSA-N	316.336	1.807	50	20	DDGD	
C=CC[C@@H](C(=O)NNC(=O)N1CCN(C)CC1)c1ccccc1	287711699	FHXHRVBUULMVBL-OAHLLOKOSA-N	316.405	1.335	50	20	DDGD	
COCCN(C)NC(=O)/C=C/c1cnn(-c2ccccc2)c1	288569296	QRLMKFVCSQDYLX-CMDGGOBGSA-N	300.362	1.495	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCC[C@@H]2CCCCO2)n1	280396785	VIBRFGLVSSXFJI-ZDUSSCGKSA-N	320.393	1.683	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(-c2nnc(S)o2)cc1	288633418	WSSZOXUPFFMDQH-UHFFFAOYSA-N	308.363	1.248	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCCC(F)(F)F)n1	280971087	SZSPUSKYRUIYLB-UHFFFAOYSA-N	304.272	1.677	50	20	DDGD	
O=C(NNc1cccc(F)n1)NC1CCN(C(=O)C2CC2)CC1	804902794	STXINZPBCRJJMX-UHFFFAOYSA-N	321.356	1.248	50	20	DDGD	
C[C@H]1CSC[C@@H]1NC(=O)NNC(=O)Cc1ccccc1F	805791523	LYDGUYPYDPXHEB-CABZTGNLSA-N	311.382	1.450	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(O)cc1	807119793	YKKQRGUOMRJEMS-UHFFFAOYSA-N	301.258	1.626	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]1C1CC1)Nc1ccc2c(c1)OCO2	802096818	GPAURVPKTHCRHW-QWRGUYRKSA-N	303.318	1.614	50	20	DDGD	
O=C(NNc1ncccc1F)c1ccc(N2CCNC2=O)cc1	804212948	FCPZFZFCUYVQRO-UHFFFAOYSA-N	315.308	1.507	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC12OCCO2	807082959	PMMLTYSKSXSKEW-LBPRGKRZSA-N	307.306	1.581	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(NC(=O)C(C)(C)C)nc1	297192710	QUHYLHWZZQVDLE-UHFFFAOYSA-N	321.381	1.372	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H]2CCC(=O)[C@@H](C)C2)cc1	802062088	CZGWOSNPNLZSCE-QWRGUYRKSA-N	319.361	1.853	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(C#N)c(Br)c1	806621105	DCZIWXLVISVUFQ-UHFFFAOYSA-N	311.139	1.883	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)[C@@H](C)O)cc1OC	294320486	JXKKYFXVAIETRC-SNVBAGLBSA-N	310.350	1.016	50	20	DDGD	
COCc1ncc(C(=O)NNc2cc(Cl)nc(N)n2)s1	803097347	WUXDFLZVPNHEID-UHFFFAOYSA-N	314.758	1.072	50	20	DDGD	
CC/C=C/CNC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	298054543	JBYCBEDKEFQCKS-ZPMKCOPCSA-N	309.341	1.890	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cnc2ccc(F)cc2c1	295259849	BAIBTAKFJCLREZ-AWEZNQCLSA-N	317.320	1.704	50	20	DDGD	
C#Cc1cncc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)c1	803438164	FWYTVBNVUJJQGM-UHFFFAOYSA-N	304.309	1.661	50	20	DDGD	
O=C(NNc1cccc(F)n1)C(=O)Nc1cccc2[nH]ccc12	807390868	RYHKXYABKUFETM-UHFFFAOYSA-N	313.292	1.784	50	20	DDGD	
CCCN(CC)C[C@@H](C)NC(=O)NNc1ccc(OC)cn1	290925197	KEJBVXDBLQHSIS-GFCCVEGCSA-N	309.414	1.837	50	20	DDGD	
COC(=O)C(=O)CCCOC(=O)/C(C#N)=C/c1ccc(O)cc1	803380824	FMOMTPNQXYOPEN-FMIVXFBMSA-N	317.297	1.365	50	20	DDGD	
COC(=O)C(C)(C)CC=NNC(=O)COc1ccc(C#N)cc1	814722277	SDHHIELZHJIWSU-UHFFFAOYSA-N	317.345	1.628	50	20	DDGD	
CS(=O)(=O)c1ccc(NNC(=O)c2cccc(CO)c2)cc1	813494468	NGILBVJHNCEMCD-UHFFFAOYSA-N	320.370	1.339	50	20	DDGD	
O=C(NC[C@@H]1Cc2ccccc2O1)NNc1ncncc1F	814277259	BAEIMAUDOWYVJG-JTQLQIEISA-N	303.297	1.246	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=C[C@H]2CCCOC2)n1	814709848	FZARYMJOWMNBDD-GFCCVEGCSA-N	308.407	1.714	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C[C@@H]2COC(=O)C2)ccc1C	816688769	GCHXDALFARZUGW-JTQLQIEISA-N	306.318	1.178	50	20	DDGD	
Cc1nn(C)c(N)c1C=NNC(=O)Nc1ccc2c(c1)OCO2	814994375	XEPOWFICGXAJCU-UHFFFAOYSA-N	316.321	1.195	50	20	DDGD	
CC(C)n1cncc1C=NNC(=O)CNC(=O)c1cccs1	819807284	MVWSZLXFFCIVQV-UHFFFAOYSA-N	319.390	1.406	50	20	DDGD	
CC1(C)[C@H]2OCCC[C@H]2[C@H]1NC(=O)NNc1ncncc1F	814306014	MFHZLEUCLOINLH-GDPRMGEGSA-N	309.345	1.445	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@]2(C)CC2(F)F)c1	817512305	AADQSUAGENZQCY-AWEZNQCLSA-N	312.316	1.875	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)Cc2ccccc2F)on1	814842361	FBBUQXLPYVHLTM-UHFFFAOYSA-N	305.265	1.293	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1nnc2ccccc2n1	810574188	LFVNYEVPGOXPMJ-UHFFFAOYSA-N	310.273	1.690	50	20	DDGD	
Cc1cc(OCC(=O)NNc2ccc(F)c(F)c2F)no1	728718441	JFLPEWMDABECKE-UHFFFAOYSA-N	301.224	1.922	50	20	DDGD	
Cc1ccoc1CNC(=O)NNc1ccc(-n2cccn2)nn1	813841624	RBHNACLTYOUJNT-UHFFFAOYSA-N	313.321	1.390	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)CC1)Nc1cc(F)cc(F)c1	815006639	AQOPUDCTSFGDCW-UHFFFAOYSA-N	317.317	1.651	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)C1CCN(C)CC1	814826894	LZIHGCSWLCOLJK-UHFFFAOYSA-N	322.434	1.312	50	20	DDGD	
COc1cc(C=NNC(=O)c2cccn2C)ccc1OC(C)=O	725847064	SNAKUHOSXYGWMG-UHFFFAOYSA-N	315.329	1.723	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@H]1CCCCN1C(=O)c1ccccc1	823977004	MFIYPDPPFWIPLV-ZFWWWQNUSA-N	319.405	1.025	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2cccc(-c3nn[nH]n3)c2)CCO1	824892473	IUDWDZSPVVJMKC-KOLCDFICSA-N	317.353	1.060	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)COc2ccccc2F)cn1	728856175	SYCNGXCKPBLYAO-UHFFFAOYSA-N	313.288	1.042	50	20	DDGD	
CC1CC(C#N)(C(=O)NNC(=S)NCCc2cccs2)C1	820169702	UYASLOVXQUASMS-UHFFFAOYSA-N	322.459	1.726	50	20	DDGD	
C[C@@H](NC(=O)c1cccs1)C(=O)NNC(=O)OC(C)(C)C	490615724	FLOXKKQEIKBBGD-MRVPVSSYSA-N	313.379	1.422	50	20	DDGD	
C[C@H]1CC[C@H](C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	824899218	IENFUJLQBZUTGT-CABZTGNLSA-N	314.349	1.064	50	20	DDGD	
CCC[C@@H](CNC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)OCC	491176611	QQBFFDUJQLBPCU-PZMUVPOTSA-N	318.377	1.423	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1F)c1cc(-c2nn[nH]n2)c[nH]1	823280758	FTPFSVJDXVWBBH-UHFFFAOYSA-N	323.238	1.369	50	20	DDGD	
O=S(=O)(CCl)N1CCN(Cc2cccc(Cl)c2)CC1	829748368	LSXAFZRKJHDWJR-UHFFFAOYSA-N	323.245	1.984	50	20	DDGD	
CC(C)(C=NNC(=O)N1CCOCC1)NC(=O)OC(C)(C)C	497069989	GZIPYEOYKHKFAD-UHFFFAOYSA-N	314.386	1.317	50	20	DDGD	
COc1ccc(CCC(=O)NN(C)[C@H](C)CO)cc1Cl	823976886	KPVZISNOJRBPHH-SNVBAGLBSA-N	300.786	1.625	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(CN(C)C(=O)C(C)C)cc1	495407883	NWBYAVHZYHGDSV-UHFFFAOYSA-N	307.350	1.302	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@@H]1Cc2ccccc21	825884720	FIFFLNBNOOUEAI-WCFLWFBJSA-N	303.362	1.082	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NCc1cc(C)cc(C)c1	821742647	LUYFXYZDLSDOEI-CYBMUJFWSA-N	323.393	1.185	50	20	DDGD	
CN(C(=O)/C(C#N)=C/c1cnn(C)c1)C1Cc2ccccc2C1	490975429	PGDIHENOXFXUAT-FRKPEAEDSA-N	306.369	1.953	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCCCN2C2CCCC2)n[nH]1	827018117	BQRATKCAFGHDEX-AWEZNQCLSA-N	319.409	1.276	50	20	DDGD	
CCOC(=O)N[C@@H](C(=O)NNC(=O)CC(C)(C)C)C(C)C	491142406	UFRCGHKKFDOBJZ-LLVKDONJSA-N	301.387	1.341	50	20	DDGD	
C[C@@H](COc1ccccc1F)NCc1cccc(B(O)O)c1	585019182	FFACKTJYOULWQW-LBPRGKRZSA-N	303.142	1.063	50	20	DDGD	
Cn1ccnc(NNC(=O)[C@H]2CCCCN2C2CCCC2)c1=O	826620609	RKEYJLPAAZHZKR-CYBMUJFWSA-N	319.409	1.021	50	20	DDGD	
COCCN(C)NC(=O)[C@H](O)c1ccccc1C(F)(F)F	908115215	PDUJVEKCHBVZSD-LLVKDONJSA-N	306.284	1.348	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCCN(c2ccccc2)CC1	827467931	HXIIXDPRZNSVNU-UHFFFAOYSA-N	318.421	1.002	50	20	DDGD	
Cc1nccn1CCCNC(=O)[C@]1(C)C[C@@H]1Br	906355329	DUFQPWVQWNEGQK-CMPLNLGQSA-N	300.200	1.871	50	20	DDGD	
C[C@@]1(C(=O)NCc2nnc(C3CC3)o2)C[C@H]1Br	907516503	URDUURRYXBWXBY-RDDDGLTNSA-N	300.156	1.737	50	20	DDGD	
CCOC(=O)N[C@@H](C(=O)NNc1ccc(OC)cn1)C(C)C	495512653	UUMJLFNDIGQEAG-GFCCVEGCSA-N	310.354	1.304	50	20	DDGD	
O=S(=O)(CCl)NCc1cccnc1OCC(F)F	830990722	MVKYINLNLZMQHK-UHFFFAOYSA-N	300.714	1.341	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NN=Cc2ccc(CO)o2)c1	739399423	DUDGHJAJVZIYPX-UHFFFAOYSA-N	302.330	1.918	50	20	DDGD	
C[C@H](C=NNC(=O)c1cnccn1)CNC(=O)OC(C)(C)C	497078141	FUYSXHDQESSWDC-JTQLQIEISA-N	307.354	1.353	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(NC(=O)C(C)(C)C)nc1	496908928	OFVCKXUKQSFWDQ-UHFFFAOYSA-N	308.338	1.457	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21)c1cccc(OC(F)F)c1	906560450	YRRVAULHKXHYDN-MVWJERBFSA-N	324.283	1.274	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H](C)Oc1cccnc1	735441417	WRGWEQLKKVPRLX-NSHDSACASA-N	315.329	1.319	50	20	DDGD	
CC(C)(NC(=O)O)C(=O)NNC(=O)Cc1ccc(Cl)cc1	736336124	AYEUFAKASQNBTJ-UHFFFAOYSA-N	313.741	1.076	50	20	DDGD	
CCc1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)ccc1F	831793652	WQWAIPQYANBUKH-JOYOIKCWSA-N	309.341	1.966	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H](C(C)C)N(C)C)c1	730271639	VNRPZGPJJKZUAC-CQSZACIVSA-N	323.393	1.051	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1nc2c(s1)CCC2	831117396	UUWIUMLOGHMJOZ-SFYZADRCSA-N	310.379	1.210	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2cccnc2C)c1	730957092	XNMPEYRNAPPIGN-UHFFFAOYSA-N	315.329	1.482	50	20	DDGD	
N#C/C(=C/c1c[nH]c(C(F)(F)F)c1)S(=O)(=O)NC1CC1	834434795	UFBPOGQSMHZWPT-OQFOIZHKSA-N	305.281	1.980	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C(C)c1cn(C)nn1	834922656	VNHTYJKZBBSUMU-UHFFFAOYSA-N	317.349	1.133	50	20	DDGD	
O=C1[C@H](NS(=O)(=O)CCl)CCN1c1cccc(Cl)c1	830799907	UVAYRRWHFULJGN-SNVBAGLBSA-N	323.201	1.561	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1	732757128	SWHWQTMTGQGPSR-STQMWFEESA-N	324.425	1.156	50	20	DDGD	
CC(C)CN1CCN(C(=O)[C@@]2(C)C[C@H]2Br)CC1	905381371	QADGCXDOWYPQPE-YPMHNXCESA-N	303.244	1.960	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cc(O)nc2cc(F)ccc12	739712742	PEEWSJLWHYAXMV-UHFFFAOYSA-N	306.297	1.432	50	20	DDGD	
COc1ccnc(C(=O)NNC(=O)COc2ccc(F)cc2)c1	734809906	PDVRPDCVFPYCAW-UHFFFAOYSA-N	319.292	1.069	50	20	DDGD	
C[C@H]1[C@H](NCc2ccc(B(O)O)cc2)CCN1Cc1ccccc1	585041442	PGNOKTRSOZSBMV-HNAYVOBHSA-N	324.233	1.119	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)COc2ccccc2F)CCCCO1	837309255	GTZWBRZVMJVTKS-HNNXBMFYSA-N	310.325	1.311	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](OC)c2cccc(OC)c2)nc1	832650327	XRQOHMWARDVFBF-OAHLLOKOSA-N	317.345	1.930	50	20	DDGD	
C[C@H](C(=O)OCC(=O)NNC(=O)c1cccs1)C(C)(C)C	734625945	DOTQXDKJZKCUMV-SECBINFHSA-N	312.391	1.735	50	20	DDGD	
OB(O)[C@H]1CCN(Cc2ccc(Sc3ccccn3)o2)C1	585077454	UJHUQEKDNSAJGS-NSHDSACASA-N	304.180	1.875	50	20	DDGD	
CCOc1ccccc1C(C)=NNC(=O)[C@@H]1CCS(=O)(=O)C1	730576864	MAIZHXQLHJAURC-GFCCVEGCSA-N	324.402	1.360	50	20	DDGD	
CCOCCCN1CCC(=NNC(=O)c2cccn2C)[C@@H](C)C1	735227811	ZYXLIKKMBPIPMP-AWEZNQCLSA-N	320.437	1.879	50	20	DDGD	
COCc1ccc(NC(=O)NNC(=O)[C@H]2CCCCO2)cc1	836564823	KDAOXRFXTANNIK-CYBMUJFWSA-N	307.350	1.555	50	20	DDGD	
CCOC(=O)C[C@H](NS(=O)(=O)CCl)c1ccc(F)cc1	830200677	RJJDQYNFKMDJIS-NSHDSACASA-N	323.773	1.936	50	20	DDGD	
COCCn1cc(C(=O)NN(C)C[C@H](C)O)c2ccccc21	910167205	DRKRXJGBECATPZ-LBPRGKRZSA-N	305.378	1.245	50	20	DDGD	
CCC(F)(F)C(=O)NNc1c(OC)cccc1S(C)(=O)=O	832283370	VOMYZDJXFQMJGY-UHFFFAOYSA-N	322.333	1.587	50	20	DDGD	
COc1ccc(C)cc1CC(=O)NNc1ccc(C(=O)O)cn1	833730512	DYKHJFRLKAWAPE-UHFFFAOYSA-N	315.329	1.783	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1ccnc(F)c1	748830402	DEGVMSSITLLQHE-UHFFFAOYSA-N	319.292	1.069	50	20	DDGD	
CO[C@@H]1COCC[C@@H]1CNC(=O)NNc1cccc([N+](=O)[O-])c1	838659104	PSNJIIBHHTVZIX-ZWNOBZJWSA-N	324.337	1.272	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)C(N)=O)c(OCCC)c1	916272508	YYBNDJJNXHAPAL-UHFFFAOYSA-N	307.350	1.200	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cc3c(nc2O)CCC3)cc1	747171941	YIZVGTZPSVCRCJ-UHFFFAOYSA-N	322.324	1.222	50	20	DDGD	
Cc1cn2c(C=NNC(=O)C(=O)N3CCCC3)c(C)nc2s1	748136941	YHNWRWXXMMFXPN-UHFFFAOYSA-N	319.390	1.085	50	20	DDGD	
CC[C@](O)(CC(=O)NNc1ncncc1F)c1ccccc1	840461969	NJXSOCPGCLAFKV-HNNXBMFYSA-N	304.325	1.747	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)CN1CCCC1=O)c1ccccc1F	913730641	CRUCTARJXBMCHC-LLVKDONJSA-N	321.352	1.089	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H](C)Cc2ccc(C#N)cc2)n1	847331942	KMDWPBJNJSJVIU-NSHDSACASA-N	311.345	1.679	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=C1C[C@H](C)n2ncnc21	841606384	GHPPKDHGDVLXND-NSHDSACASA-N	313.361	1.705	50	20	DDGD	
CC(C)SCC(=O)NNC(=O)COc1ccccc1F	914458379	OVCCZJNWHXRMRQ-UHFFFAOYSA-N	300.355	1.494	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CCN(C)[C@@H]1C	843756428	YAYYTARUDSZPAW-IJLUTSLNSA-N	323.368	1.081	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H]2CCCC[C@@H]2CN)cc1	841948174	IZFKAFAWWYLQHN-CABCVRRESA-N	318.421	1.711	50	20	DDGD	
O=C(NNc1ncccn1)c1ccc(-c2n[nH]c(C3CC3)n2)cc1	748527972	TUGRHHRNFWABRP-UHFFFAOYSA-N	321.344	1.896	50	20	DDGD	
CC1CCN(C[C@H](C)C(=O)NN=Cc2cccc(C#N)n2)CC1	841614921	TWOJXOFTOAPEQO-AWEZNQCLSA-N	313.405	1.771	50	20	DDGD	
CCC(CC)[C@@H](CCNC(=O)NNC(=O)c1ncccn1)OC	841591696	FFENNYNIKTVXAP-GFCCVEGCSA-N	323.397	1.262	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)[C@H]1CCc2ncncc2C1	843904389	WXFQUYVRNLWDHN-QMMMGPOBSA-N	305.288	1.398	50	20	DDGD	
CC(C)C[C@H](CN)NC(=O)NNC(=O)c1cc2ccccc2o1	841952471	UWXJFXZLRQIOOA-GFCCVEGCSA-N	318.377	1.750	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cn(CCC(C)C)nn1	740814316	QNQBABYWQZQHHX-UHFFFAOYSA-N	315.377	1.707	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@@H]2CCC[C@H]2C(C)(C)C)cn1	841592129	ZULQLQXDSANYSH-VXGBXAGGSA-N	307.398	1.579	50	20	DDGD	
Cc1noc(C)c1[C@H](C)C(=O)NNC(=O)c1ccccc1F	749785373	IXLKSCHHBPDJFX-QMMMGPOBSA-N	305.309	1.995	50	20	DDGD	
CC(C)[C@H]1CCc2c(sc(NC(=O)C(=O)NN)c2C#N)C1	841199711	NVELQFKRNYVEGW-QMMMGPOBSA-N	306.391	1.309	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)nc1	743828990	RYHALENUAFOMMM-UHFFFAOYSA-N	323.356	1.595	50	20	DDGD	
C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)C(F)(F)F	745618116	UZWKWLDHJCBOEM-QMMMGPOBSA-N	318.251	1.189	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cnc([C@H](C)OCC)s1	742587514	SEQVQGVRUPRKAX-QMMMGPOBSA-N	300.384	1.595	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1ccnn1CC1CC1	849177887	TWPDNVSXFWGFLE-UVTDQMKNSA-N	302.378	1.743	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@H](C)C(=O)OC(C)(C)C)nc1	848667776	MEMTXAPBEAMYLK-JTQLQIEISA-N	324.381	1.694	50	20	DDGD	
CCOc1ccc(NNC(=O)Cn2nnc3c2CCCC3)cc1	848143008	RMOOSAIPBNYOAM-UHFFFAOYSA-N	315.377	1.699	50	20	DDGD	
CC(C)N1C(=O)C(=NNC(=O)NCC2CC2)c2ccccc21	920829553	SFGLDGGPYAZMCU-UHFFFAOYSA-N	300.362	1.855	50	20	DDGD	
CN[C@@H](C)C(=O)NNc1c(F)cc(F)cc1Br	848403820	AAJSDYZWIOEXAH-YFKPBYRVSA-N	308.126	1.778	50	20	DDGD	
CC(C)Cc1ccc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1	755891751	FMTCKFSNPLGKFI-OAHLLOKOSA-N	322.430	1.770	50	20	DDGD	
COC[C@](C)(O)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	754974859	SSRFWPCXRAMPMO-LBPRGKRZSA-N	321.160	1.152	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(C)n(-c2nccs2)c1C	921039108	ANNBEGXNKWXCER-UHFFFAOYSA-N	321.406	1.905	50	20	DDGD	
CC1(C)OC[C@@H](CNC(=O)NNc2cc(F)ccc2F)O1	921895692	LVTSEPSMJONRSW-SECBINFHSA-N	301.293	1.742	50	20	DDGD	
C#CCC1(C(=O)NNC(=O)c2cccc(F)n2)CCCCC1	856426739	GWLASEAKYUAAKS-UHFFFAOYSA-N	303.337	1.956	50	20	DDGD	
CC(C)O[C@H]1CCCN(C(=O)NNC(=O)c2cccc(F)n2)C1	852713730	XRKDBTUQBOLHDN-NSHDSACASA-N	324.356	1.465	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)ccc1Cl	853389755	XCOVVPKJIDSJDK-HIFRSBDPSA-N	321.808	1.962	50	20	DDGD	
O=C(CNc1ccccc1)NN=Cc1cc(O)ccc1[N+](=O)[O-]	751130691	GAJGAQNZIDRIMU-UHFFFAOYSA-N	314.301	1.863	50	20	DDGD	
C/C=C\C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	854331583	VGMTUGAXCMTGMC-JPVGGKMYSA-N	311.382	1.357	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(N)nc(Cl)c2)nc1	759740354	VPSLBXGUIYSWSL-UHFFFAOYSA-N	321.724	1.256	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CC(C)(C)[C@@H]3COC[C@@H]32)c1	858707322	QCZXVYMVIXWKFE-MNOVXSKESA-N	323.418	1.768	50	20	DDGD	
C[C@@]1(CNC(=O)COCc2ccccn2)C[C@@H]1Br	857389291	ZIWFKZRPUFPDSO-AAEUAGOBSA-N	313.195	1.888	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CN(C)C[C@H]2C)cc1C	752163204	SJLKDOQAXFUEBJ-GFCCVEGCSA-N	302.378	1.296	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)N1CC[C@H]2C[C@@H]2C1	852588954	MKXMORPWCUIDOC-NWDGAFQWSA-N	324.425	1.012	50	20	DDGD	
C[C@@H]1CN(Cc2ccccc2)CC1=NNC(=O)N1CCOCC1	751526686	OXNRWSUQENHEFK-CQSZACIVSA-N	316.405	1.536	50	20	DDGD	
CCC/C(C)=C\C(=O)NNC(=O)CNC(=O)c1cccs1	751211784	KSPKNACKJVTSEF-NTMALXAHSA-N	309.391	1.372	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCC1(C)CC1	753017806	BUGFLOPXFDSQSY-JTQLQIEISA-N	309.341	1.724	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc(O)cc1F	854283277	PCQDEDCJJIZNPA-UHFFFAOYSA-N	315.370	1.019	50	20	DDGD	
Cn1nnc2cc(C(=O)NC[C@]3(C)C[C@H]3Br)cnc21	857394481	NDIBGGKECDFEEL-SKDRFNHKSA-N	324.182	1.267	50	20	DDGD	
CC1CC(CNC(=O)NNC(=O)COc2ccc(C#N)cc2)C1	856961567	KQLMGJAKWKTMFM-UHFFFAOYSA-N	316.361	1.314	50	20	DDGD	
CCOC[C@H]1CN(C(=O)NNC(=O)c2ccccc2C)CCO1	858097365	JZIJPRRBSNYKPD-CYBMUJFWSA-N	321.377	1.087	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2ccc(C)cc2O)c(C)nn1	759369386	JASHKOYPULKKKF-UHFFFAOYSA-N	314.345	1.436	50	20	DDGD	
Cc1nc2cccc(C(=O)NNC(=O)OCC(F)(F)F)c2[nH]1	856018827	HVNIOBZNLGYXEN-UHFFFAOYSA-N	316.239	1.805	50	20	DDGD	
Cc1c[nH]nc1C=NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C	853377874	IVJXKPHVXOAFHB-BXUZGUMPSA-N	316.365	1.070	50	20	DDGD	
Cc1noc(C2CC2)c1C(=O)NNC(=S)N[C@H](C)C1CC1	855098076	AVNCSQCIKGVCHZ-SSDOTTSWSA-N	308.407	1.768	50	20	DDGD	
O=C(NNC(=O)c1cnc2n1CCCCC2)NC1CCCC1	857708348	MZAUHNWOSWFONT-UHFFFAOYSA-N	305.382	1.496	50	20	DDGD	
C[C@](O)(CC(=O)NNc1ccccc1S(C)(=O)=O)C1CC1	756003450	RMSAYAFWJBEBFE-AWEZNQCLSA-N	312.391	1.084	50	20	DDGD	
CC(C[C@@H]1CCOC1)=NNC(=O)COc1ccccc1[N+](=O)[O-]	751520438	FLFKUILOMYPUOO-LBPRGKRZSA-N	321.333	1.892	50	20	DDGD	
CCCC[C@](C)(F)C(=O)NNC(=O)c1cncc(NC(C)=O)c1	857158064	LWWKZQVLJORLJF-HNNXBMFYSA-N	324.356	1.719	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1cccc(C(=O)O)c1)[C@@H]1CCOC1	853424853	AHPHHTBBSWHJDP-OLZOCXBDSA-N	306.318	1.152	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)/C=C(/C)c1ccco1	854387544	BEKRBFBJIYLEBM-KHPPLWFESA-N	310.350	1.620	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CCc2ccon2)c(C)c1	856792635	YTGHPPXKGMGLAC-UHFFFAOYSA-N	316.361	1.484	50	20	DDGD	
C#CCNC(=S)NNC(=O)c1c(Cl)cccc1Cl	758212325	BAAHLZFQKKGKLN-UHFFFAOYSA-N	302.186	1.736	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)N[C@H]1CCC(F)(F)C1	852211677	OBWSPLDZJMHFJP-ZETCQYMHSA-N	302.256	1.353	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)NCCCOC)C[C@H]1C	758118105	WLOISJDPJRRMIQ-YPMHNXCESA-N	313.398	1.677	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H](C)OCc1ccc(C)cc1	858126366	ZXFGJNKTWWGKIM-GFCCVEGCSA-N	307.419	1.581	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cn(CC)nn1)c1ccccc1	932502360	PXWSQMKSEDGQJA-LBPRGKRZSA-N	301.350	1.253	50	20	DDGD	
C[C@@H](Sc1ccccn1)C(=O)NNC(=O)c1ccccn1	754220447	RGKOPRPHVORUFY-SNVBAGLBSA-N	302.359	1.418	50	20	DDGD	
Cc1cccc(NNC(=O)/C=C/CN(C)CC(F)(F)F)n1	862519939	XQWSYFHPANWTHK-QPJJXVBHSA-N	302.300	1.883	50	20	DDGD	
CCOc1nc(C(=O)NNCC(F)(F)C(F)(F)F)co1	863100691	VHMFMTANXMUGTL-UHFFFAOYSA-N	303.187	1.505	50	20	DDGD	
CCc1cc(C(=O)OC)ccc1NC(=O)NNC(=O)C1CC1	932815165	MZPFDAKECNTSSR-UHFFFAOYSA-N	305.334	1.598	50	20	DDGD	
Cc1ccccc1C(C)(C)C(=O)NNc1nccn(C)c1=O	769165702	GGDDBZIQPZIUDL-UHFFFAOYSA-N	300.362	1.510	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1oc2c(C)cccc2c1C	869908948	CMPLKMPDZDYKFA-UHFFFAOYSA-N	320.345	1.474	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2ccccc2OC2CC2)n[nH]1	869017169	IREDPOHQGCPKJY-UHFFFAOYSA-N	314.345	1.263	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NN2CCOC2=O)cc1	862698451	SQRFOURPIUVEKA-XFXZXTDPSA-N	301.302	1.476	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H]2CCCc3ccccc32)n[nH]1	869012901	GWTCRANCFBVFQO-HNNXBMFYSA-N	312.373	1.528	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)C1(CO)CCOCC1	862289299	NZBUJSYTKSUFSF-UHFFFAOYSA-N	322.361	1.075	50	20	DDGD	
CCCNC(=O)NNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C	769733960	BVBMIJDKAYQXLJ-UHFFFAOYSA-N	308.338	1.874	50	20	DDGD	
CC(C)NC(=O)NNS(=O)(=O)/C=C/c1cccc(Cl)c1	768883512	LYAHCTWRMAZWSK-VOTSOKGWSA-N	317.798	1.853	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](C)Oc1ccccc1F	764482496	YBACJYUAEOLDCD-VIFPVBQESA-N	306.297	1.535	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(F)c1[N+](=O)[O-])[C@@H]1CCC(=O)N1	861410815	VJDLVPQJRMKTBW-CBAPKCEASA-N	310.285	1.092	50	20	DDGD	
CCc1nocc1C(=O)NNC(=O)CNc1cccc(OC)c1	863855092	MVIHHNSGJUZUCV-UHFFFAOYSA-N	318.333	1.119	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNCC(F)(F)C(F)(F)F	863094427	JGZFEGCUTMKRRO-MRVPVSSYSA-N	303.275	1.679	50	20	DDGD	
C[C@@]1(CNc2ccccc2S(N)(=O)=O)C[C@@H]1Br	865961861	XUNWBSDXAACYHL-QWRGUYRKSA-N	319.224	1.919	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cc(F)c(F)cc1F	767788496	MFSIRZBYFMNKHP-QMMMGPOBSA-N	304.268	1.606	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C	861764980	HRWSOXGDDWPUFR-YMEQNVIZSA-N	320.389	1.445	50	20	DDGD	
Cc1cc(=NNC(=O)c2ccc(O[C@@H]3CCOC3)cc2)cc[nH]1	862512011	GVHUDIVTFULSKD-MRXNPFEDSA-N	313.357	1.737	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cnn2ncccc12	765283535	NYCPGODUCDPLDE-UHFFFAOYSA-N	314.257	1.865	50	20	DDGD	
COCC[C@@H](C)NC(=O)NNC(=O)c1nc2ccccc2s1	872865017	OUGCQKJOUTUNEE-SECBINFHSA-N	322.390	1.665	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C[C@@H](C)NC(=O)OC(C)(C)C	1118978925	PXXBPCYJEVSDSW-SECBINFHSA-N	318.443	1.193	50	20	DDGD	
COCCOCC(=O)NN=Cc1cc(C(=O)O)c(C)cc1C	872400862	VTBJMYKGYFCWHY-UHFFFAOYSA-N	308.334	1.115	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1c[nH]nc1C(C)(C)C	874122733	HJEGTGKRKNWFDI-UHFFFAOYSA-N	306.395	1.818	50	20	DDGD	
CSCCNC(=S)NNC(=O)C(C)(C)c1cccnc1	778421562	GYZDWHAJUZFZEM-UHFFFAOYSA-N	312.464	1.218	50	20	DDGD	
CC(C)C(=O)NNC(=O)CCC(=O)Nc1c(F)cccc1F	873796584	HJOPFNSGVRVPDQ-UHFFFAOYSA-N	313.304	1.487	50	20	DDGD	
O=C1C[C@H](C(F)(F)F)[C@H](C(=O)NNc2ccc(F)cc2)CN1	873925570	SWHJKFZAQJCERL-ZJUUUORDSA-N	319.258	1.583	50	20	DDGD	
O=C(NNC(=O)c1cccc(OC(F)F)c1)Nc1ccncn1	770768855	PCFIHQCUQGSXKP-UHFFFAOYSA-N	323.259	1.545	50	20	DDGD	
C#C[C@H](NC(=O)NNc1cc(F)c(F)cc1F)[C@H]1CCCO1	776232921	UODXAALOKYJSAN-WCQYABFASA-N	313.279	1.911	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)C2[C@H]3CCC[C@H]23)c1	776703177	VBCLTNQQHNTNGN-STQMWFEESA-N	316.357	1.345	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc(C(C)C)n1	772183585	OUSFQVHFYDQXTI-SNVBAGLBSA-N	307.350	1.308	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C(C)(C)CO)ccc1OC(C)C	776321545	RVXOHIVSAVXXCB-UHFFFAOYSA-N	324.377	1.262	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C(=O)C(C)(C)C)cn1	874954643	YUGFIJLOOZYTEI-UHFFFAOYSA-N	310.379	1.023	50	20	DDGD	
CNC(=O)C[C@@H](C)NC(=O)NNc1cccc(F)c1Cl	875647531	NTWIMVGGALUNAV-SSDOTTSWSA-N	302.737	1.630	50	20	DDGD	
COC(=O)c1cc(C(=O)OC[C@@H](C)CBr)on1	770415258	MJBVUINNBRJVOJ-LURJTMIESA-N	306.112	1.649	50	20	DDGD	
CSCCCCCNC(=O)NNC(=O)CC(F)(F)F	776258686	ZAVFQYLZOJHWCT-UHFFFAOYSA-N	301.334	1.803	50	20	DDGD	
CN1C(=O)CCc2cc(C=NNC(=O)c3cnn(C)c3)ccc21	774387956	YLBAIGUXVUFUMQ-UHFFFAOYSA-N	311.345	1.093	50	20	DDGD	
CO[C@@]1(C(=O)NNC(=O)Cc2ccccc2F)CCSC1	888868738	LRFVTNAZJHFXPG-AWEZNQCLSA-N	312.366	1.038	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)NC1(Cc2ccccc2)CC1	883751472	MAOLWQIEMMLGKD-CQSZACIVSA-N	317.389	1.661	50	20	DDGD	
CC(=O)N1CCC[C@@H](C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)C1	771596706	ZADNJTRQIBDEOP-SNVBAGLBSA-N	324.312	1.436	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NNc1c(F)cc(F)cc1F	885150700	GWYQAEKJVOAPEC-UHFFFAOYSA-N	310.297	1.372	50	20	DDGD	
COc1cccc(NNC(=O)Nc2ccc3c(c2)OCO3)n1	780014691	VMCUHDXKABQAHP-UHFFFAOYSA-N	302.290	1.968	50	20	DDGD	
Cc1ncccc1NC(=O)[C@H](C)NS(=O)(=O)CCCCl	882245561	HZJLYPNVBITIJE-JTQLQIEISA-N	319.814	1.265	50	20	DDGD	
C[C@@H]1CC[C@@H](NC(=O)NNC(=O)c2cccc(N(C)C)c2)C1	780785172	WDOQTZVQGQYOTH-DGCLKSJQSA-N	304.394	1.885	50	20	DDGD	
Cc1cc(C)c(CC(=O)NNC(=O)C2CCOCC2)c(C)c1	883067663	PSQUBWWEKMLOIM-UHFFFAOYSA-N	304.390	1.728	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1nc2nc(C)ccc2o1	783909387	MCYFPVPRHZOMEA-QMMMGPOBSA-N	308.363	1.569	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](C(=O)NNc2ccc(C#N)c(Cl)c2)C1	1120634284	ZQESOEUCSLCFTC-AOOOYVTPSA-N	307.737	1.854	50	20	DDGD	
Cc1noc(C)c1CCNC(=O)NNc1ncncc1Cl	780988231	WXBFLQYYYTWGOV-UHFFFAOYSA-N	310.745	1.604	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)CBr)CCCC[C@@H]1O	782467844	GXONIPKWQOLBAX-IUCAKERBSA-N	300.218	1.199	50	20	DDGD	
CSC1(C(=O)NNc2ccccc2S(C)(=O)=O)CC1	789814828	ZMHLVKNLUDBBQU-UHFFFAOYSA-N	300.405	1.429	50	20	DDGD	
CC(C)n1cc(NC(=O)C(=O)NNc2ncccc2Cl)cn1	784818189	TUZAYHUKPZHWTR-UHFFFAOYSA-N	322.756	1.594	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1ccc2cnccc2c1	782221007	ZCWMQGVLQZICGX-UHFFFAOYSA-N	322.324	1.708	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1cccc2c[nH]nc12	788178687	SPKNIDFJDZZNAF-UHFFFAOYSA-N	320.316	1.296	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cccc(C2OCCO2)c1	899996051	DZSQSXBIRQSTOE-UHFFFAOYSA-N	323.418	1.639	50	20	DDGD	
O=C(CSc1nnc(O)nc1O)NN=C1CCC12CCCC2	788709275	JHZZUMGVFNSVRN-UHFFFAOYSA-N	323.378	1.201	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNC(=O)c1ccc(C#N)cc1	780446039	XNHDESRKMYICSM-UHFFFAOYSA-N	317.345	1.299	50	20	DDGD	
Cc1nn(C)c(NC(=O)C(=O)NNc2cc(Cl)ccn2)c1C	784861587	OEHFDAGEPYROOK-UHFFFAOYSA-N	322.756	1.167	50	20	DDGD	
COCCOc1ccc(/C=C(\C#N)C(=O)O[C@H](C)COC)o1	899342358	USPNIJVEPXGIQO-OYGDSYQHSA-N	309.318	1.790	50	20	DDGD	
CC(C)(COCc1ccccc1)NCC(=O)NNC(=O)C1CC1	799187505	VKXBPBPGJKOSFS-UHFFFAOYSA-N	319.405	1.129	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cccnc1F	791197565	RLVJOKRUWNOEDW-VIFPVBQESA-N	321.283	1.588	50	20	DDGD	
C=C(CO)C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1	791304500	FEBGDCLJBZRGDB-UHFFFAOYSA-N	320.345	1.864	50	20	DDGD	
O=C(NN=C1CC(=O)N2CCCC[C@@H]12)c1ccc(O)c(Cl)c1	799479940	BPNDAILHQFAPNS-LBPRGKRZSA-N	321.764	1.916	50	20	DDGD	
CCc1ccccc1OCCC(=O)NNC(=O)c1ccccn1	794721291	JOAPZTJYRIQWMY-UHFFFAOYSA-N	313.357	1.874	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2ncncc2Cl)n2cccc21	790044448	QZANJCCCKOGHDG-SNVBAGLBSA-N	305.725	1.592	50	20	DDGD	
COc1ccc(NNC(=O)c2cc3ccccc3c(=O)o2)nc1	797755490	HTZBMVRCRAJXQD-UHFFFAOYSA-N	311.297	1.954	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](c1cccnc1)C(C)C	797903781	AYJMIYAFRMUQCY-SMDDNHRTSA-N	321.377	1.310	50	20	DDGD	
Cc1ccc(C(=O)NNc2nc(O)c3cnn(C)c3n2)cc1C#N	799634018	YCAUSZPAANNTRT-UHFFFAOYSA-N	323.316	1.006	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)c1cc(C2CC2)no1	799839432	YXLKVWRKDNNUIY-UHFFFAOYSA-N	311.301	1.958	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H](CO)C2CCCCC2)n1	793220141	KEZUOUCYGNBQMW-CQSZACIVSA-N	320.393	1.275	50	20	DDGD	
Cc1cc(C(=O)NNc2nncc(N)c2Cl)ccc1[N+](=O)[O-]	1319217895	ACQCSTGYSHZHCM-UHFFFAOYSA-N	322.712	1.686	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H]1CCCCN1Cc1ccncc1	1318368091	YILNBSZVWPNUHF-CQSZACIVSA-N	318.421	1.630	50	20	DDGD	
CNC(=O)[C@H]1CCCN(C[C@@H](CBr)C2CC2)C1	701842146	BHLQNHCIEKLNEO-NWDGAFQWSA-N	303.244	1.866	50	20	DDGD	
CN(C)c1ncccc1C=NNC(=O)CNC(=O)OC(C)(C)C	1327092489	WKIFPGKMSWKUDJ-UHFFFAOYSA-N	321.381	1.122	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)Nc1cccc(F)c1Cl	1328696694	NNIMCUCRZSPYDJ-UHFFFAOYSA-N	314.748	1.631	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CCCCO1	1325448502	ZGJZPQJVNAXRCV-HNNXBMFYSA-N	306.366	1.009	50	20	DDGD	
C[C@]1(CCC(=O)NNC(=O)c2ccccc2Cl)CCC(=O)N1	1325271102	LSQRMGVGSZCZCT-OAHLLOKOSA-N	323.780	1.550	50	20	DDGD	
O=C1N[C@H]2CCN(C(=O)c3cccc(CCl)c3)C[C@@H]2CO1	1335909214	NBMSYWYHBWKRRL-OLZOCXBDSA-N	308.765	1.996	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C23CCCN2CCC3)cc1F	1330804109	IRWDUXRBIWPRKO-UHFFFAOYSA-N	321.352	1.684	50	20	DDGD	
CC[C@H](O)[C@@H](C)C(=O)NNC(=O)c1cncn1-c1ccccc1	1332380925	VXIROCOKPFLTOM-RISCZKNCSA-N	316.361	1.040	50	20	DDGD	
CC(C)Oc1ccccc1NC(=O)NNC(=O)C1CCNCC1	1331417541	CBRYSVOMWHWUPQ-UHFFFAOYSA-N	320.393	1.626	50	20	DDGD	
O=C(CCl)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1	1333572098	SFOPDVSZBNFSJQ-LBPRGKRZSA-N	316.810	1.658	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](C)[C@@H]2CN(C)CCN2C)cc1F	1263778796	RSGNYAPXJJJRPM-DOMZBBRYSA-N	323.416	1.395	50	20	DDGD	
CS[C@H](CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C)C(C)(C)C	1261453449	GPFXZSMHGSSXBW-GARJFASQSA-N	317.455	1.520	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H](C)COCC2CC2)cc1	1349546197	VYYSQVGNEVATAO-LLVKDONJSA-N	321.377	1.454	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](C(=O)NNC(=O)c2cccc(Cl)c2)C1	1353297485	INGYAURARCEPNU-AOOOYVTPSA-N	310.737	1.300	50	20	DDGD	
CC(C)n1cc(NC(=O)C(=O)NNc2ncccc2F)cn1	1515203906	GXNHNIKXYUJTOZ-UHFFFAOYSA-N	306.301	1.080	50	20	DDGD	
Cc1cc(=NNC(=O)NCC(C)(C)C2=CCOCC2)cc[nH]1	1528268114	RFXNEUZYTWPGBR-UHFFFAOYSA-N	304.394	1.811	50	20	DDGD	
O=C(NCCc1cccnc1)NNc1cccc(C(=O)O)c1F	1601515187	XOMZRYIFUVGWET-UHFFFAOYSA-N	318.308	1.788	50	20	DDGD	
Cc1nonc1CNC(=O)NNc1ccc(C(=O)O)c(F)c1	1608031242	MVFYXHOBILZWJN-UHFFFAOYSA-N	309.257	1.042	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1Cc2ccccc2[C@H](C(=O)O)C1	1603301266	VLHZIGVOCDCHPB-GFCCVEGCSA-N	319.361	1.457	50	20	DDGD	
CCOc1cc(C(=O)O)ccc1NCc1ccccc1B(O)O	1605665666	IJMJAPWDMZQCMR-UHFFFAOYSA-N	315.134	1.075	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(-c2nn[nH]n2)o1	1609404277	NPPSICQBJNBVBS-UHFFFAOYSA-N	302.269	1.664	50	20	DDGD	
O=C(O)[C@@H](NNC(=O)[C@H]1CCCCO1)c1cccc(Cl)c1	1608479428	GDCUEADHBCPYJH-NEPJUHHUSA-N	312.753	1.656	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)N[C@H]1CO[C@H](C2CC2)C1	1601556656	GVNHJUOKCPSRGM-MFKMUULPSA-N	323.324	1.718	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@H]1C[C@H]2C[C@@H](C(=O)O)C[C@@H]12	1601555582	JIWIOPDIQBMWOT-LPWJVIDDSA-N	317.345	1.130	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNc1ccc(C(=O)O)c(F)c1	1600768773	XNNOJQMYPGCKQS-UHFFFAOYSA-N	306.297	1.631	50	20	DDGD	
NC[C@@H]1CCCC[C@@H]1NC(=O)NNc1cccc(C(=O)O)c1	1601187151	QWCVXCYKRNZHDX-AAEUAGOBSA-N	306.366	1.528	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@H]1CCCCN1C	1610287059	BQFJRUDZGCEIJV-GFCCVEGCSA-N	307.350	1.321	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(C)c(OCC(=O)O)c(C)c1	1610186384	FCTGBPYYRNTRRD-UHFFFAOYSA-N	310.306	1.110	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@H]2CCCS2)ccc1C(=O)O	1610473282	BFOILVVCFAPWLV-LLVKDONJSA-N	323.374	1.742	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@@H]1C(=O)NN=Cc1cncs1	1549309383	IELVHWHXNMKOAS-RYUDHWBXSA-N	319.390	1.495	50	20	DDGD	
CCCN[C@H](C)C(=O)NNC(=O)c1cn(C)c2ccccc12	1577554159	CBPBCPOZFGYTQX-LLVKDONJSA-N	302.378	1.327	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H](N)CCSC)ccc1C	1578860431	QWGBUXWQVCCPST-LBPRGKRZSA-N	311.407	1.305	50	20	DDGD	
CC(C)c1ccc2occ(C(=O)NNC(=O)[C@@H]3CCN3)c2c1	1575859931	WQNFDKGMZHIZLH-ZDUSSCGKSA-N	301.346	1.679	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cc(C2CCNCC2)no1	1579808351	FZNMAWROEJKJRY-UHFFFAOYSA-N	301.350	1.602	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C[C@H](N)C(C)(C)C)c1	1579581331	OOSZDZIPZVPBNG-AWEZNQCLSA-N	321.421	1.593	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H]2C[C@H]3CN[C@@H](C3)C2)cc1	1578252451	AXJRBGFWOZIYTB-QEJZJMRPSA-N	316.405	1.334	50	20	DDGD	
C[C@H]1NCCn2c(C(=O)NNC(=O)Cc3ccsc3)ccc21	1576894935	SGENGYFVSASJJM-SNVBAGLBSA-N	318.402	1.218	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1ccc(-c2cnn[nH]2)cc1	1578016398	YEOFYCXLMAIPOL-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1ccccc1OCC(=O)O	1589010754	GVRDZACTSIOLEP-WCQYABFASA-N	320.345	1.415	50	20	DDGD	
CC(C)[C@]1(C)C[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1589490533	KMWJPSYFKCXWDB-YGRLFVJLSA-N	301.354	1.387	50	20	DDGD	
C=C1CC(C(=O)N2CCCC23CN(C(=O)[C@@H](F)Cl)C3)C1	1841018474	MSXMQUKIZILPRM-LLVKDONJSA-N	300.761	1.690	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1[nH]cnc1C)C2	1845164906	JMZZWARBBZWKQH-LLVKDONJSA-N	324.812	1.553	50	20	DDGD	
C[C@H](CC(=O)O)CC(=O)NNC(=O)c1cc2ccccc2o1	1592392059	WQBSHAFQJQFGDF-VIFPVBQESA-N	304.302	1.695	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1ccno1)C2	1845164202	RQVWZYGYRNNXOE-JTQLQIEISA-N	311.769	1.509	50	20	DDGD	
Cc1oc(-c2nn[nH]n2)cc1C(=O)NNC(=O)CC1CCCC1	1592499702	ACWZXHQUHXVKHO-UHFFFAOYSA-N	318.337	1.109	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2CC[C@H]2C(=O)O)cc1C	1594373495	FSFOTNRSXDTRCS-NWDGAFQWSA-N	321.402	1.732	50	20	DDGD	
COC(=O)c1oc(C(=O)NNc2cccc(C(=O)O)c2)cc1C	1599016904	AYPYPYWVRGBUAE-UHFFFAOYSA-N	318.285	1.830	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1ccc(C(=O)O)c(C)c1	1599225311	DUTQJYAEMKVNHP-UKTHLTGXSA-N	302.330	1.753	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)c2ccccc2F)cc1O	1776019426	PVPKQQIEPGNLAV-UHFFFAOYSA-N	302.261	1.993	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl)c1cnoc1	1796809172	PEDVCVLNLWKUKA-VLEAKVRGSA-N	315.732	1.461	50	20	DDGD	
COc1ccc(C(=O)NNc2nc(C)cc(C)n2)cc1[N+](=O)[O-]	11334040	YLIQXHBCVKFNET-UHFFFAOYSA-N	317.305	1.767	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1C	162220100	NRGMXGYIPDORRQ-UHFFFAOYSA-N	318.377	1.840	50	20	DDGD	
COC(=O)NNC(=O)c1nnn(-c2cccc(Cl)c2)c1C	158734267	WEGMVQJTBBWCQJ-UHFFFAOYSA-N	309.713	1.230	50	20	DDGD	
CCCCCS(=O)(=O)CC(=O)NNc1ccccc1F	153058901	ICEYXJDXRONVHX-UHFFFAOYSA-N	302.371	1.874	50	20	DDGD	
CCOc1ccc(CC(=O)NNc2ncnc3nc[nH]c23)cc1	156222044	DZFZUNHGSCVLBE-UHFFFAOYSA-N	312.333	1.437	50	20	DDGD	
CCC1(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CCCC1	154627097	ISRUQAXNCVHQDE-CQSZACIVSA-N	318.373	1.944	50	20	DDGD	
COc1ccc(NNC(=O)c2cnn(-c3ccncc3)c2C)nc1	159414893	DXOQIAWUOIGYBW-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
CN1C[C@@H](N(C)C[C@H](CBr)C2CC2)CCC1=O	859313908	KYEWSSGDHFUNQR-RYUDHWBXSA-N	303.244	1.960	50	20	DDGD	
O=S(=O)(NC[C@@H](O)C(F)(F)F)c1ccc(CCl)cc1	311395400	SEOQVLMMPAZYIF-SECBINFHSA-N	317.716	1.627	50	20	DDGD	
NC(=O)C[C@H]1CCN(S(=O)(=O)c2ccc(CCl)cc2)C1	690806800	SLDKCVBAOSFRCU-LLVKDONJSA-N	316.810	1.311	50	20	DDGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CC[C@](F)(CO)C1	801714528	BWMDYHHYPJTGSS-CYBMUJFWSA-N	321.801	1.563	50	20	DDGD	
N#C/C(=C\c1ccc(S(N)(=O)=O)o1)C(=O)NC1CCCCC1	585136023	MQGPEEOLMZQDQB-CSKARUKUSA-N	323.374	1.283	50	20	DDGD	
COc1ccccc1C(=O)NNS(=O)(=O)c1ccccc1	260221	RIHPPIHUOYQEKR-UHFFFAOYSA-N	306.343	1.319	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)COc2ccc(F)cc2)c1	6208534	CHXGECPCHHXABL-UHFFFAOYSA-N	313.288	1.537	50	20	DDGD	
Cc1csc(NC(=O)NNC(=O)CCc2ccccc2O)n1	106251996	YALDUHSCNFRXCE-UHFFFAOYSA-N	320.374	1.943	50	20	DDGD	
Cc1nc(-c2cccc(C(=O)NNC(=O)CN(C)C)c2)cs1	175946177	QCQHIQAIWARKTA-UHFFFAOYSA-N	318.402	1.441	50	20	DDGD	
Cc1cn(CC(=O)NNC(=O)c2cnn(C)c2)c2ccccc12	117681770	GFDHHVACSJPMLD-UHFFFAOYSA-N	311.345	1.144	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1CCN(C)C(=O)C1)c1ccccc1	110337173	XRFAAGOOIPYPHI-KGLIPLIRSA-N	317.389	1.196	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)c1ccc(Cl)nc1	58381718	KKHQFBWOPHGWSZ-UHFFFAOYSA-N	319.748	1.965	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)COc2ccc(F)cc2)n(C)n1	52796702	GDOQBQJPWHLQGG-UHFFFAOYSA-N	321.312	1.099	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)Nc2ccncc2)c1	56498846	RQYXZPWYXJKKCY-UHFFFAOYSA-N	314.345	1.930	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2cccc(C#N)c2)cc1	119496812	BNGDZULKUASCHT-UHFFFAOYSA-N	305.297	1.512	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1cnc(-c2ccccc2)nc1	67703810	XQWYNOAZZYCLAQ-UHFFFAOYSA-N	319.324	1.613	50	20	DDGD	
C#CCCCNC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	173331819	DTEOYKBQOVAWGD-LLVKDONJSA-N	307.325	1.337	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(N(C)C)c(F)c1	68918229	UXMLBSHEADIKAZ-NUBYWOLOSA-N	305.353	1.950	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCCN(c2ccccc2)CC1	111204613	BWDRTICFJLYQNM-CQSZACIVSA-N	318.421	1.145	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)CC1CCOCC1	117232028	XKNUOGWQDQHPKI-UHFFFAOYSA-N	310.781	1.847	50	20	DDGD	
COCC(=O)N(C)CC(=O)NNc1ccc(Cl)c(F)c1	179494267	XTPAJPKCSCVPKR-UHFFFAOYSA-N	303.721	1.027	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCCCCc1ccccc1	66703296	HFSFTVKQGRQDAT-UHFFFAOYSA-N	307.394	1.766	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	70843138	KJBIFCIXHDBFFD-KFWWJZLASA-N	302.374	1.724	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)/C=C/c1cnn(C)c1)c1ccccc1	110338432	RZSKEGFRTRRJBY-FEAKQIBJSA-N	312.373	1.775	50	20	DDGD	
CCCNC(=O)NNC(=S)NCCc1ccc(OC)cc1	66012287	JTSBGAZTFIVBMO-UHFFFAOYSA-N	310.423	1.326	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)n(C)n1	126056073	JSPJBXFHLHDPMD-UHFFFAOYSA-N	311.345	1.214	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1)N(C)C	126323431	XNMLGHAGIXIXHL-ZWNOBZJWSA-N	311.357	1.081	50	20	DDGD	
Cc1ccc2c(c1)C(=O)N(CC(=O)NNc1ccccc1)C2=O	72574995	CFIVVKVGIZMLMI-UHFFFAOYSA-N	309.325	1.734	50	20	DDGD	
NC(=O)c1ccc(NC(=O)NNC(=O)CC2CCCC2)cc1	183306531	UCIPEPHIUSJKDH-UHFFFAOYSA-N	304.350	1.519	50	20	DDGD	
CCC[C@H](C)N1C[C@H](C(=O)NNc2ncc(F)cn2)CC1=O	122607199	WZZFVAMSQQWBCI-VHSXEESVSA-N	309.345	1.096	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1	126105959	SXSIVZQMYAXNKF-UHFFFAOYSA-N	311.769	1.862	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@@H]1C[C@H]1c1ccco1	123139650	JWRBHIFHRBYOAL-CHWSQXEVSA-N	302.305	1.912	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ccccc1[N+](=O)[O-])N1CCCC1=O	121121418	JSZGGZWWEICAQG-CQSZACIVSA-N	320.349	1.685	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2cc(F)c(F)c(F)c2)cn1	126339521	MKMUVNHHUWNOPR-UHFFFAOYSA-N	324.262	1.889	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cccc(OC(F)F)c1	32262849	NTBLCFQVWSUSHS-JTQLQIEISA-N	300.261	1.228	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)oc(=O)n2C	184891243	LSRQQELYLGPYAY-MRVPVSSYSA-N	306.322	1.330	50	20	DDGD	
O=C(NNc1ccccn1)Nc1ccn(Cc2ccncc2)n1	180488650	IZGJCTNSSQLHGG-UHFFFAOYSA-N	309.333	1.870	50	20	DDGD	
CCCCCS(=O)(=O)CC(=O)NNc1cc(Cl)ccn1	183015144	RIMOFISXMLERMX-UHFFFAOYSA-N	319.814	1.783	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2cccc([N+](=O)[O-])c2)CN1C1CC1	130201061	KCYYHJCCUCRQSS-ZYHUDNBSSA-N	319.365	1.846	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1ccnc(-n2ccnc2)c1	48315262	BECLWDIRCHHKOO-UHFFFAOYSA-N	323.312	1.048	50	20	DDGD	
Cc1ccnc(NNC(=O)CCn2c(C)c(C)sc2=O)c1	88424936	PJTRMXBBQWXXBJ-UHFFFAOYSA-N	306.391	1.763	50	20	DDGD	
CCN(Cc1ccc(C(=O)NNC(=O)C(C)(C)O)cc1)C(C)C	192922519	QBYXKWZMUBKIKJ-UHFFFAOYSA-N	321.421	1.449	50	20	DDGD	
O=C(NNC(=O)c1cccc2cn[nH]c12)NC1CCCCC1	192579348	PLODEDFJSVVCFI-UHFFFAOYSA-N	301.350	1.840	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cccc(Oc2nccs2)c1	135418601	YZNJKEJILDFYPJ-UHFFFAOYSA-N	306.347	1.851	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cnc(-c2ccccc2F)s1	190057478	RKDGYWLNFCOCPG-UHFFFAOYSA-N	323.349	1.481	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CC1(CSc2ccccc2)CC1	192928692	PGEFKCRDPINWIZ-UHFFFAOYSA-N	322.430	1.867	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1ccc(Oc2cnccn2)cc1	255873949	WAOFVSSBGNXOFT-GXDHUFHOSA-N	324.340	1.938	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)/C=C2/CC[C@H](C)C2)c1O	268549318	CSNKBSCFDRCUHL-RGAIUGGKSA-N	304.346	1.908	50	20	DDGD	
CCN(CC)CCSCC(=O)NNC(=O)c1ccccc1C	266764564	OETAUESCFJXAHT-UHFFFAOYSA-N	323.462	1.831	50	20	DDGD	
COC[C@@H](NC(=O)NNc1nc(C)cc(OC)n1)c1ccco1	266928527	GVSGPCILGFVCRC-SNVBAGLBSA-N	321.337	1.400	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)C2CCC2)cc(C)c1F	266001132	DPHVSXVLISKEPX-UHFFFAOYSA-N	300.355	1.552	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H]1CCCSC1	267319131	NKMYSLSJWWRILN-JTQLQIEISA-N	309.391	1.535	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)n1	268115813	DSGGFCOERQPSNK-NOZJJQNGSA-N	304.398	1.202	50	20	DDGD	
COCCCOCC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	271694001	AJUJXAMBTUDWEP-UHFFFAOYSA-N	317.729	1.744	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)O)c(Br)s1	278056331	XSOJANHDLZOJGQ-UHFFFAOYSA-N	321.196	1.351	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc(C(=O)OC(C)(C)C)cc1	271304839	XELSHHBQSDNRKS-UHFFFAOYSA-N	321.377	1.994	50	20	DDGD	
COC(=O)NNC(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1	367576702	AJKYRAIZPPQKFC-CYBMUJFWSA-N	311.725	1.610	50	20	DDGD	
Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N1CC=C(C#N)CC1)C2=O	273960835	ZFIMWJAEMTYVOP-LBPRGKRZSA-N	323.352	1.662	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)C1CCN(C2CC2)CC1	279277374	HVUBMIOVWADYJT-UHFFFAOYSA-N	300.366	1.047	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CCCN2C2CC2)cc1	278490978	HEIXLRBHDMPIAO-HNNXBMFYSA-N	316.405	1.181	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H]1CCO[C@@H]1c1ccnn1C(C)C	277162511	IISXVTCQLWYOFR-AAEUAGOBSA-N	323.397	1.234	50	20	DDGD	
CCNC(=O)N(C)NC(=O)/C=C/c1cn(C)c2ccccc12	272890620	AQFMIJHCEXQSAX-MDZDMXLPSA-N	300.362	1.884	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)c1cccc(N(C)C)c1	284933614	JIQRICYLHLGSQP-UHFFFAOYSA-N	300.362	1.718	50	20	DDGD	
Cc1noc(C)c1C(C)(C)C(=O)NNC(=O)c1cccn1C	280447000	UXFWEZKBRFDJAR-UHFFFAOYSA-N	304.350	1.369	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNC(=O)CCc1ccccc1O	287509022	ICCBTUPRTIPMBS-UHFFFAOYSA-N	316.361	1.055	50	20	DDGD	
Cc1ccc(N2CCOCC2)cc1NC(=O)NNC(=O)C1CC1	280773181	OPGRIKLQXOFOLE-UHFFFAOYSA-N	318.377	1.394	50	20	DDGD	
CC(C)(C(=O)NNc1cc(F)c(F)cc1F)N1CCOCC1	283227893	OQBVIIWZPKMIKY-UHFFFAOYSA-N	317.311	1.658	50	20	DDGD	
CC[C@@H]1C[C@H]1NC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	280881117	ZERWUKKNHIASPR-HOSYDEDBSA-N	309.341	1.722	50	20	DDGD	
C=CCSCCNC(=O)NNC(=O)COc1cccc(C)c1	299288091	BJVSSDKRDYQOCE-UHFFFAOYSA-N	323.418	1.623	50	20	DDGD	
CC1(C)COc2c(C(=O)NNC(=O)[C@H]3CCCCO3)cccc21	295695628	ZOSDCGDBVUXZCT-CYBMUJFWSA-N	318.373	1.687	50	20	DDGD	
Cn1cc(C(=O)NNc2cccc([N+](=O)[O-])c2)c(C2CC2)n1	292148648	MLJMWUYVUKDILH-UHFFFAOYSA-N	301.306	1.963	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	802006132	HRUJGPXJGMZSBV-ZETCQYMHSA-N	315.276	1.317	50	20	DDGD	
Cn1nnc2c(C(=O)NNc3cccc([N+](=O)[O-])c3)ccnc21	801176676	OOZTVHZNFSPSMH-UHFFFAOYSA-N	313.277	1.028	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@H](C)n2cncn2)cc1C	291096954	DIKSUSRMWHCPOG-NSHDSACASA-N	317.349	1.468	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H](C(=O)NNc2ccc3ccccc3n2)O1	290379835	JRYYDOFYWHULSM-QWHCGFSZSA-N	315.329	1.399	50	20	DDGD	
O=C(CN1CCc2ccccc2C1=O)NCC(Cl)Cl	294783098	UQJRUNHMZHZXFC-UHFFFAOYSA-N	301.173	1.605	50	20	DDGD	
CS(=O)(=O)c1ccccc1C(=O)NNc1ncccc1F	804218908	LGMOLUWHPJUIIF-UHFFFAOYSA-N	309.322	1.381	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CSc1ccccc1O)C(C)(F)F	294528268	KPLLBBVCMPUERO-QMMMGPOBSA-N	318.345	1.923	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)NC(=O)C(C)(C)C)c(O)c1	299080603	ZMIDWOZLAOLELP-JTQLQIEISA-N	321.377	1.012	50	20	DDGD	
Cc1ccc(C#N)cc1NC(=O)C(=O)NNc1ncccc1F	807300638	REMTZYDSQLTJHO-UHFFFAOYSA-N	313.292	1.483	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)c1c[nH]c2ccccc12)OC	290988533	QBRMLPRAIGLSLX-JTQLQIEISA-N	304.350	1.537	50	20	DDGD	
O=C(NN=Cc1ccc(C(F)(F)F)[nH]1)C(=O)N1CCCC1	807968088	NZAKBVPFMBCCGD-UHFFFAOYSA-N	302.256	1.106	50	20	DDGD	
C#CCC(C)(C)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	812732325	AMKYTQJQEMYHJV-UHFFFAOYSA-N	323.418	1.430	50	20	DDGD	
CC[S@](=O)c1ccccc1C(=O)NNc1ncncc1F	817082404	VKWFJKQDCGQFKE-NRFANRHFSA-N	308.338	1.500	50	20	DDGD	
C[C@]1(C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1(F)F	817245369	GLCKOHSBHCJYLY-CYBMUJFWSA-N	312.272	1.036	50	20	DDGD	
CC(C)N1CCN(c2ccc(C(=O)NN(C)C3CC3)cc2)CC1	819646440	YTCVSHRSAFTSIC-UHFFFAOYSA-N	316.449	1.956	50	20	DDGD	
C=CCC(F)(F)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	815311415	JTDYDLQRNQXDHT-VIFPVBQESA-N	306.309	1.323	50	20	DDGD	
Cc1cc(OC(=O)[C@@]23CCC(=O)N2CCS3)ccc1[N+](=O)[O-]	812056854	NZMHEFPRBHQBQZ-AWEZNQCLSA-N	322.342	1.874	50	20	DDGD	
COCCN(C)NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1	816561293	RVJUBUSDHYXTMN-CQSZACIVSA-N	321.377	1.027	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NC[C@H]1CC1(Cl)Cl	728946764	BRDFIFVGDOKTMM-SECBINFHSA-N	317.176	1.148	50	20	DDGD	
C#CCOc1cc(F)ccc1NC(=O)NNc1ncncc1F	814649711	ZYUNIJPNQQFMCG-UHFFFAOYSA-N	319.271	1.915	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NN=Cc1cc(CO)ccc1O	814757149	OZLLSAYSBQKJCX-UHFFFAOYSA-N	302.305	1.716	50	20	DDGD	
CCN(CC)C(=O)c1ccc(C(=O)NNC(=O)N(C)C)cc1	729348919	VEGOBQANIWITEY-UHFFFAOYSA-N	306.366	1.085	50	20	DDGD	
O=C(CCc1ccccc1O)NN=Cc1ccc(O)c(O)c1	729935279	QHTMXMWYJCGTPO-UHFFFAOYSA-N	300.314	1.886	50	20	DDGD	
O=C(/C=C/[C@@H]1CCOC1)NNC(=O)c1ccc(Cl)cc1F	493836789	NOSHLRRWUPTUOV-CITMHJQUSA-N	312.728	1.833	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	826891954	BCGQMMXJPFAOST-SYQHCUMBSA-N	311.426	1.958	50	20	DDGD	
O=C(Cc1cccnc1)NN=C1C(=O)Nc2cccc(Cl)c21	728786663	RTOXGHHKBUWLSX-UHFFFAOYSA-N	314.732	1.750	50	20	DDGD	
Cc1cccc2c1CN(C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)CC2	827273621	IJMUCGKQNCADGH-OCCSQVGLSA-N	317.389	1.519	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cnn(Cc2ccccc2)c1N	822245717	YXTMEHWSPCVNJR-UHFFFAOYSA-N	315.377	1.321	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC1CC(c2ccccc2)C1	825896376	WJAPMEULFDFHFL-LLGZUXRYSA-N	317.389	1.688	50	20	DDGD	
Cn1ccnc1CNC(=O)NNC(=O)c1cc2c(s1)CCC2	728752571	HRUWDATXAZQEAZ-UHFFFAOYSA-N	319.390	1.115	50	20	DDGD	
CCc1ccc([C@@H]2COCCN2CC(=O)NNC(=O)C(C)C)o1	827858471	BCIDNPZVVAAGHP-ZDUSSCGKSA-N	323.393	1.019	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CCc2cccnc2)c1	725909190	GBKVUOGLSLMGCO-UHFFFAOYSA-N	313.357	1.549	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NNC(=O)c1ccccn1	490907105	GRJGHMBTQHNYEM-FMIVXFBMSA-N	308.297	1.155	50	20	DDGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cnnn2C)cc1OC	490691002	DWKSQBSUHRBEHW-POHAHGRESA-N	313.317	1.378	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCC[C@H]2Cc2ccccn2)cc1	585047611	SGEPUXABNFAWGM-YJBOKZPZSA-N	310.206	1.262	50	20	DDGD	
O=C(NC1CCC(C(F)F)CC1)c1ccc(B(O)O)c(F)c1	584997903	KZMVRLSPXDIGIA-UHFFFAOYSA-N	315.100	1.059	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2(Br)CC2)nc1	821355368	XEHIGQSPPXNHBN-UHFFFAOYSA-N	314.139	1.239	50	20	DDGD	
C[C@@H](CNCc1ccc(B(O)O)cc1F)Sc1ccccc1	585026997	MKDNZFDQLVEJKM-LBPRGKRZSA-N	319.210	1.776	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@H](C)c1ccc(Br)cc1	823940558	ZMWNTJCXHGEECR-VHSXEESVSA-N	315.211	1.896	50	20	DDGD	
CN1CCO[C@@H](C(=O)NNc2cccc(Cl)c2Cl)C1=O	909930162	WAKGMHXCMUXJJN-JTQLQIEISA-N	318.160	1.294	50	20	DDGD	
N#C/C(=C\c1ccc(-c2nn[nH]n2)o1)C(=O)NCc1ccccc1	822796101	LZCUUOMMRBIHPD-XYOKQWHBSA-N	320.312	1.683	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@]1(Cl)C[C@H]2CC[C@H]1O2	907090380	JEYDFOIAVWJHJI-WZRBSPASSA-N	311.725	1.967	50	20	DDGD	
Cc1ccc(NC(=O)NN(C)C2CC2)cc1N1C(=O)CNC1=O	824375802	WMEAVBFZQSJFTQ-UHFFFAOYSA-N	317.349	1.182	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCCC[C@@H]1COC(=O)NC1CC1	491105503	QDHHGZOPDASBLH-IEZBTEQYSA-N	321.377	1.700	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@H]2CCCCC23OCCO3)cn1	491050243	PIYVCDZTOGNCBJ-MQJVFOOVSA-N	316.361	1.129	50	20	DDGD	
Cc1noc(C)c1NC(=O)NNc1cccc(-c2nn[nH]n2)c1	826339342	AGLDLQHJBQBLPD-UHFFFAOYSA-N	314.309	1.620	50	20	DDGD	
CC(C)NC(=O)CCCC(=O)NNc1cnnc2ccccc12	733809909	MIQAAXUHWJBLNI-UHFFFAOYSA-N	315.377	1.768	50	20	DDGD	
C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1ccc(B(O)O)cc1	584985789	QWSQKCGYIRSTEC-PBHICJAKSA-N	323.201	1.775	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CC[C@H](c3cccnc3)C2)cn1	491005862	CCUANLUEVJNIEM-PLWLOYALSA-N	307.357	1.738	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NC[C@]1(C)C[C@H]1Br	826859193	PKTWESBQOVVYIZ-HNBLOZHYSA-N	304.184	1.475	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCc2cccnn2)cc(C#N)n1C	491087207	WIDBZKLUFNBSED-AWNIVKPZSA-N	306.329	1.219	50	20	DDGD	
O=C(C[C@@H]1CNCCO1)NN=C(c1ccccc1)c1ccccc1	825858656	LAGWTFANNXIZHC-QGZVFWFLSA-N	323.396	1.934	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=Cc1ccc(CO)o1	739412769	GNDQJJXHADRYCV-JTQLQIEISA-N	306.293	1.829	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1)c1cncs1	734745354	LDZKJGMOQBMPRO-IJLUTSLNSA-N	324.450	1.729	50	20	DDGD	
O=C(N[C@@H]1CCCCC12CCCC2)c1ccc(B(O)O)cc1	584992068	KVCHJAGJFSGTQG-OAHLLOKOSA-N	301.195	1.599	50	20	DDGD	
COc1cc(CCNC(=O)NNC(=O)C2CCC2)ccc1O	734214974	FDLGASQEVGOUDD-UHFFFAOYSA-N	307.350	1.074	50	20	DDGD	
O=S(=O)(c1ccc(CCCCl)cc1)N1CC[C@@H]1CO	907826886	VOMSUDCSFHVVIL-GFCCVEGCSA-N	303.811	1.613	50	20	DDGD	
COC(=O)NNC(=O)Nc1nnc(-c2ccc(OC)cc2)s1	495479783	JNWQIRJADLZTHG-UHFFFAOYSA-N	323.334	1.606	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@H]1C[C@H]1C(=O)O	739215848	HKIHHPIIDSTJAJ-MXYNVHDSSA-N	320.389	1.461	50	20	DDGD	
OB(O)[C@H]1CCN(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C1	585075548	IJCFSRWBHGTOMT-VIFPVBQESA-N	324.552	1.109	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@H]1C[C@@H]2CCCCN2C1=O	838745418	UBRDSCRUVJTQGJ-AAEUAGOBSA-N	320.368	1.914	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)NNC(=O)O	736276616	OOLSRDIHHSMKMW-SECBINFHSA-N	313.354	1.322	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1ccc(C(=O)O)cc1	831757223	LICPYCYWRCEMAA-NSHDSACASA-N	308.334	1.277	50	20	DDGD	
CCS[C@@H](C)c1noc(COc2ccc(B(O)O)cc2)n1	584909895	JULQYVOUALCYHI-VIFPVBQESA-N	308.168	1.143	50	20	DDGD	
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NNc1ncncc1Cl	907600714	ACWVIATUDPZDPN-DTWKUNHWSA-N	312.757	1.553	50	20	DDGD	
C[C@H]1CC2(CCOCC2)CN1CC(=O)NNC(=O)C(C)(C)C	830608285	GFMVPEUJWWODEV-LBPRGKRZSA-N	311.426	1.071	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCCCCC(=O)O)c1ccccc1	736847486	KXEZWWPNTSSWAR-ZDUSSCGKSA-N	321.377	1.766	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNC(=O)CCOc1ccccc1	836262681	CPYCLOKJTPUIKM-KGLIPLIRSA-N	319.361	1.129	50	20	DDGD	
O=C(CCOc1ccc(Cl)c(F)c1)N1CC[C@@H](B(O)O)C1	585066605	MGNFQVHHXKSRGV-SECBINFHSA-N	315.537	1.323	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2ncoc2C(C)C)c1	731874918	WYBUBQDGLPKYCP-UHFFFAOYSA-N	317.345	1.946	50	20	DDGD	
CC(C)(C(=O)NN=C1CCCS(=O)(=O)C1)c1ccccc1	731927813	VBPXNGIOSZRIBS-UHFFFAOYSA-N	308.403	1.645	50	20	DDGD	
C#CCSCCNC(=O)NNC(=O)Nc1ccc(OC)cc1	836318391	FHXDOLOWTYZLCS-UHFFFAOYSA-N	322.390	1.397	50	20	DDGD	
COC(=O)c1cc(OC(=O)Cc2cc(C)on2)ccc1[N+](=O)[O-]	733934758	FQYFPBQHHIMIME-UHFFFAOYSA-N	320.257	1.826	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)c1cccc(OC(F)F)c1	732532309	GGZPQRDIYGMVLG-UHFFFAOYSA-N	320.317	1.438	50	20	DDGD	
CC(C)NC(=O)CCCC(=O)NNc1ncc(F)cc1F	837207708	TZFZJNBVWUMMTN-UHFFFAOYSA-N	300.309	1.498	50	20	DDGD	
O=C(CN1CCC(c2ccc(O)cc2)CC1)NNC(=O)C1CC1	733193575	XOVQUMQQCCQIHI-UHFFFAOYSA-N	317.389	1.129	50	20	DDGD	
O=C(NC[C@@H]1[C@H]2CCc3ccccc3[C@H]21)c1ccc(B(O)O)cc1	584964167	IGXFFMAFGHEXSS-KZNAEPCWSA-N	321.185	1.072	50	20	DDGD	
OB(O)c1cccc(CN[C@H]2CC[C@H](C(F)(F)F)CC2)c1	585049864	YNXSYKYPJNRMJO-AULYBMBSSA-N	301.117	1.577	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)c1cnn(C)c1)CCO2	735411315	XCMSJOVMFCPDKX-UHFFFAOYSA-N	300.318	1.345	50	20	DDGD	
COCCN1[C@H]2CC[C@H]1CC(N(C)S(=O)(=O)CCl)C2	831637688	RXGANOLPBUFSNQ-QWRGUYRKSA-N	310.847	1.086	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)c1cc(O)cs1	732262784	ZHCCYFCWBXRXBS-UHFFFAOYSA-N	316.342	1.485	50	20	DDGD	
O=C(CCCn1cccn1)NNC(=O)c1cccc2ncccc12	730225242	VGIIBYVLGKJFPG-UHFFFAOYSA-N	323.356	1.673	50	20	DDGD	
C[C@H](CC(=O)NNc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1	839705250	CVIHQUZJMCOFLX-SNVBAGLBSA-N	303.322	1.965	50	20	DDGD	
Cc1cc([C@@H]2CCCN2[C@H](C)C(=O)NNC(=O)CC(C)C)on1	732197053	BJGJHZMSQLUKOX-OLZOCXBDSA-N	322.409	1.702	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CC[C@H](c3cccc(F)c3)C2)o1	585038989	LVOFPBUCHLPCBV-JSGCOSHPSA-N	303.142	1.524	50	20	DDGD	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)NN(C)C[C@@H](C)O	910158466	WKGWTUZINXNJFZ-LLVKDONJSA-N	318.373	1.830	50	20	DDGD	
COC(=O)Nc1ccc(CCNS(=O)(=O)CCl)cc1	830584374	LUCWKPDFJOSSPJ-UHFFFAOYSA-N	306.771	1.523	50	20	DDGD	
CCCCCn1cc(CNC(=O)NNc2ccncn2)c(C)n1	836383422	XBDCEMSVAKWAOD-UHFFFAOYSA-N	317.397	1.998	50	20	DDGD	
C[C@H](OC[C@H]1CCCO1)C(=O)NNc1cccc(C(=O)O)c1	833537256	ZEIRHJGUSLYWDV-GXFFZTMASA-N	308.334	1.412	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ncccc12)NC1CCCCC1	919689054	SYAAZTBONRBEAG-UHFFFAOYSA-N	301.350	1.840	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNc2cccc([N+](=O)[O-])c2)c(O)n1	748004996	DEQKCZPSCDEXLK-UHFFFAOYSA-N	317.305	1.393	50	20	DDGD	
CC[C@@H]1C[C@H]1CNC(=O)NNc1ccc(-n2cccn2)nn1	838665973	SUIAYQACJAIOBD-MNOVXSKESA-N	301.354	1.335	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNC(=O)CNc1ccc(C)cc1	839482595	GOVQUHPWUFAXNL-CYBMUJFWSA-N	321.377	1.144	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNc2ncnc3[nH]cnc23)c1	740746565	PUWSCMBEQFRYQH-UHFFFAOYSA-N	314.305	1.127	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNc1ccnc(N(C)C)n1	740112446	JEYNZEHZFSSBSI-JTQLQIEISA-N	319.340	1.592	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1ccc2c(c1)OCO2	748256898	FWMWHFSWOFFJMK-LLVKDONJSA-N	308.334	1.307	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cc(C)[nH]c1C	919820522	KUCSZDQSPQZPBE-UHFFFAOYSA-N	301.346	1.644	50	20	DDGD	
O=C(NNC(=O)[C@H]1Cc2ccccc21)c1ccc2c(c1)OCCO2	740739924	KEQWUFLMKNPGGW-AWEZNQCLSA-N	324.336	1.559	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2c(CO)noc2C)cc1	847288931	FDGLBYJIOLTFQX-UHFFFAOYSA-N	303.318	1.113	50	20	DDGD	
CN(NC(=O)Cn1cc(C(N)=O)c2ccccc21)c1ccccc1	917392758	QYQIITDLRMQZRQ-UHFFFAOYSA-N	322.368	1.908	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@H]2CCCNCC2)c(F)c1	841979754	VXCWIGOMUJZNGF-NSHDSACASA-N	324.356	1.381	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccc(Cl)c1[N+](=O)[O-]	749924876	WJFQUQWECPDNOU-UHFFFAOYSA-N	314.729	1.992	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H]1CCc2ccccc2C1	845908581	ZVKHZMMYLTYCMZ-CYBMUJFWSA-N	323.487	1.650	50	20	DDGD	
COC[C@]1(CNC(=O)NNc2ccccc2Cl)CCCN1	841994497	MTSODBCPNSEFJL-CQSZACIVSA-N	312.801	1.735	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc([N+](=O)[O-])[nH]1	917925279	IAZDKESWDBFFTR-UHFFFAOYSA-N	322.708	1.580	50	20	DDGD	
CCC(=NNC(=O)[C@H](C)CN1CCOCC1)C1CCOCC1	745198837	RTZOAKAJNIGWBJ-CYBMUJFWSA-N	311.426	1.264	50	20	DDGD	
CN(C)S(=O)(=O)c1cccc(C(=O)NN=Cc2ccco2)c1	916306076	KLGXIFMKAZRXRV-UHFFFAOYSA-N	321.358	1.294	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccc(Cl)cc1)[C@@H]1CCCNC1	841929608	WQTDNVOUSHOPFX-ZYHUDNBSSA-N	324.812	1.672	50	20	DDGD	
COc1cccc(NCC(=O)NN=C2C[C@@H](C)n3ncnc32)c1	841614805	QMGOOIQDGHFWJW-SNVBAGLBSA-N	314.349	1.184	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)[C@@H]2CCO[C@@H]2C)[C@H](C)C1	842561510	LBVKJJJVSIQOAR-FDYHWXHSSA-N	310.394	1.883	50	20	DDGD	
C[C@H]1CC(=NNC(=O)CCN2CCCCCC2)c2ncnn21	841611070	PVRHWJCBCUGDDX-LBPRGKRZSA-N	304.398	1.329	50	20	DDGD	
CCc1c(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)[nH]c(C)c1C(C)=O	843646444	QJIFLWOQSKNPIT-CMPLNLGQSA-N	321.377	1.274	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1c(C)nc2sccn12	748260365	ROQQLUMZQMGNSK-SNVBAGLBSA-N	310.379	1.206	50	20	DDGD	
CCC(N)(CC)CNC(=O)NNC(=O)C(C)(C)c1ccccc1	841955244	XBGDDRVHGWHPLN-UHFFFAOYSA-N	320.437	1.812	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)cc1	846377326	BBLYQAXZNQTESM-WCQYABFASA-N	318.373	1.851	50	20	DDGD	
CO/C(=C/c1ccccc1)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843973814	ZONPMCLMTFKOKK-MQABWJKWSA-N	304.346	1.246	50	20	DDGD	
Cc1cccc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)c1	916349868	LSVHWATYVJCGIH-UHFFFAOYSA-N	306.329	1.735	50	20	DDGD	
C[C@H](Cc1cccc(F)c1)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843649746	XDBPATXMYXJSTP-GYSYKLTISA-N	308.353	1.577	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)Cc1cc2ccccc2o1	746674181	FKNNGMSGWHFIFX-NSHDSACASA-N	303.362	1.811	50	20	DDGD	
O=C(CC1(O)CCCC1)NNc1nc(-c2cccnc2)no1	746242157	QWMSAOGCAPKHBB-UHFFFAOYSA-N	303.322	1.270	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H]2CCC[C@H](N)C2)cccc1[N+](=O)[O-]	841981339	ZPQIESBIQKLIHA-WDEREUQCSA-N	307.354	1.799	50	20	DDGD	
O=C(NC[C@@H]1CCCNC1=O)NNc1c(F)cc(F)cc1F	922860035	BEAAQJVVKJYXHH-ZETCQYMHSA-N	316.283	1.256	50	20	DDGD	
Cn1cc(C=NNC(=O)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1	920360142	MZVRRIMHBJOZAW-UHFFFAOYSA-N	313.317	1.855	50	20	DDGD	
Cn1nc(CNC(=O)NNC(=O)OC(C)(C)C)cc1C1CC1	927644764	FYCJMKHHEFNPJX-UHFFFAOYSA-N	309.370	1.536	50	20	DDGD	
CC1=NO[C@@H](C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)C1	854196138	QWXZADYNAIKNAT-RRHJKOLHSA-N	305.378	1.515	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)N2C(=O)CCC2=O)ccc1Cl	928342420	XCBYNLBNENGJBX-SECBINFHSA-N	309.753	1.629	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCCc2ccoc2)c1	851915336	JBQNASJDSCHTJQ-UHFFFAOYSA-N	317.345	1.540	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)c1cc[nH]n1)O[C@@H](C)C2	853392262	IBLJSWUCVUHHEV-VIFPVBQESA-N	300.318	1.506	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)c1c(C)nc2ccccn12)C1CC1	858171039	MGVWISZBRPDWGT-CQSZACIVSA-N	316.361	1.219	50	20	DDGD	
O=C(NCCS(=O)(=O)C1CC1)NNc1cc(F)ccc1F	922899696	HNUYDWLNUOCWOO-UHFFFAOYSA-N	319.333	1.168	50	20	DDGD	
CCN1CC[C@H](NC(=O)NC[C@@]2(C)C[C@H]2Br)C1=O	856855296	ALCIBMZKNNRMCE-YGOYTEALSA-N	318.215	1.080	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2cc(F)ccc2C)n(C)n1	850585291	XSXGFKCJYKASLB-UHFFFAOYSA-N	319.340	1.512	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)Cc1c[nH]c2ccccc12	755049391	LNWPVNBVZGRLIK-NSHDSACASA-N	303.362	1.530	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1c[nH]cc1C	920424443	SCDUEDHGASKURN-UHFFFAOYSA-N	303.318	1.172	50	20	DDGD	
Cc1cnc([C@H](NCC(=O)NNC(=O)C(C)(C)C)C2CC2)s1	754418850	NKWXRJRAAVMGMV-GFCCVEGCSA-N	324.450	1.686	50	20	DDGD	
C[C@@]1(CNC(=O)C2(C(=O)NC3CC3)CC2)C[C@@H]1Br	857399850	GMRDDRMGAKGRDZ-CABZTGNLSA-N	315.211	1.335	50	20	DDGD	
C[C@@H]1COCCC1=NNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C	853373091	KPFKXDCOQQFGRR-YRGRVCCFSA-N	320.393	1.416	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@]2(C(=O)O)C[C@H]3CC[C@H]2C3)n1	852947222	GKMXZPQDRCZEQV-YHAQOWFVSA-N	320.349	1.128	50	20	DDGD	
C[C@@H](OCc1ccccc1)C(=O)NNc1cc(Cl)nc(N)n1	753449763	KXBJPMPLZYHPNH-SECBINFHSA-N	321.768	1.761	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1c(F)ccnc1F)C1CC1	855097396	PMSJWUPQLFPQDH-LURJTMIESA-N	300.334	1.267	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)NCC2(C)CC2)cc1C	753026091	SKIOPBKFXNJHGC-UHFFFAOYSA-N	318.377	1.372	50	20	DDGD	
CC(=NNC(=O)[C@H]1COc2ccccc2O1)c1cnn(C)c1	920825293	GRQUQGRDYZWXKO-CQSZACIVSA-N	300.318	1.100	50	20	DDGD	
O=C(NNc1ccncn1)c1cc(F)cc(N2CCOCC2)c1	854746854	HTIJSDNRHFINHO-UHFFFAOYSA-N	317.324	1.209	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccccc1SC[C@H](C)C#N	756479474	NHSREWMTQCIHIB-SNVBAGLBSA-N	322.390	1.737	50	20	DDGD	
C[C@@H]1CCCN1S(=O)(=O)NC[C@@]1(C)C[C@@H]1Br	856754896	PGRICKHAPHAOAS-KXUCPTDWSA-N	311.245	1.479	50	20	DDGD	
CCn1cnc(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)c1	854224561	OXNOPPFGNOZTBA-JTQLQIEISA-N	320.324	1.271	50	20	DDGD	
CCCN(NC(=O)[C@@H]1CCCc2nn[nH]c21)C(=O)OC(C)(C)C	854432071	IPXZZVHONJTMPA-SNVBAGLBSA-N	323.397	1.903	50	20	DDGD	
CC1CCN(C[C@@H](C)NC(=O)/C(C#N)=C/c2cnn(C)c2)CC1	855899906	XFQGDEBVPONUGZ-UVYNJXETSA-N	315.421	1.564	50	20	DDGD	
CC(=O)c1ccc(CC(=O)NNc2cc(Cl)nc(N)n2)cc1	753449662	IVZRLRPBNRVNMW-UHFFFAOYSA-N	319.752	1.601	50	20	DDGD	
CO[C@@H](C=NNC(=O)COc1ccccc1[N+](=O)[O-])C1CC1	853272377	QVHWSTZSWNNSSX-ZDUSSCGKSA-N	307.306	1.501	50	20	DDGD	
COC(=O)NCCCC(=O)NC[C@]1(C)C[C@@H]1Br	857396457	CGDVOBVBWLECQV-KWQFWETISA-N	307.188	1.412	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)C(C)(C)c2ccccc2)[nH]1	857121054	RCKNWTNTTVRUES-UHFFFAOYSA-N	300.362	1.765	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cccnc1N(C)C)C1CC1	855103646	XNLAOGTZFRISIU-SECBINFHSA-N	307.423	1.055	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2ccc(C(=O)N(C)C)[nH]2)c(O)c1	752164877	PWXAEWBPUCKNKX-UHFFFAOYSA-N	314.345	1.494	50	20	DDGD	
O=C(c1ccc(OC2CCCC2)cc1)N1CC[C@H](B(O)O)C1	864234572	SWRWBXHJMZXEMG-ZDUSSCGKSA-N	303.167	1.697	50	20	DDGD	
CCOc1ccc(NNC(=O)c2cnn(CCN(C)C)c2)cc1	868567562	WSCKNGFRVOWUBU-UHFFFAOYSA-N	317.393	1.600	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)CCNC(=O)OC(C)(C)C)C1CC1	760443211	RWSIEJXEAQZBDG-JTQLQIEISA-N	313.398	1.485	50	20	DDGD	
CC[C@]1(C(=O)NNC(=O)C(C)(C)c2ccccc2)CCNC1=O	865632203	RXTKITQSAHHZCK-KRWDZBQOSA-N	317.389	1.028	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@]12CCOC2)c1cc2c(s1)CCC2	763723987	UQPPSOQHUXXNJF-ZUZCIYMTSA-N	306.387	1.424	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CSc2ccccc2O)on1	764046240	KGUULLJICPJRSP-UHFFFAOYSA-N	307.331	1.242	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)[C@H](O)c1ccccc1Cl	768450132	FPUVAJHMISRWDT-GFCCVEGCSA-N	312.156	1.987	50	20	DDGD	
Cc1cc(=NNC(=O)C(C)(C)NC(=O)OC(C)(C)C)cc[nH]1	862510279	ALHPMYGSSVFOGN-UHFFFAOYSA-N	308.382	1.558	50	20	DDGD	
Cc1ccccc1[C@@H](C)NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	868735464	HQXLFOMPIVNEAP-DYEKYZERSA-N	305.378	1.811	50	20	DDGD	
CC[C@H]1CN([C@H](CC)C(=O)NNc2cccc(C)n2)CCO1	862520384	WAJIDHSTQZRUEI-UONOGXRCSA-N	306.410	1.723	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1cc(C)cs1	862476908	DERPJWPCZHEUME-NSHDSACASA-N	309.391	1.219	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	766019988	JYGKZELNQIGZDD-UHFFFAOYSA-N	318.249	1.298	50	20	DDGD	
CS/C=C\C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	767654591	SZYFGUGSRTYWID-SREVYHEPSA-N	308.359	1.176	50	20	DDGD	
O=C1NCCC[C@H]1C(=O)NNc1c(Cl)cccc1Cl	866669440	ZYFAUJCPKKMGBK-SSDOTTSWSA-N	302.161	1.963	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)CCc1c(F)cccc1F	863400256	KZVOICXICLHPEQ-SECBINFHSA-N	320.361	1.504	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2cnn(C3CC3)c2)ccc1F	861924609	LPHSDAUEJWTVLT-UHFFFAOYSA-N	318.308	1.901	50	20	DDGD	
COCC(=O)N(C)CC(=O)NNc1ccc(F)c(Cl)c1	863081822	YPSDQQGFCSUTAU-UHFFFAOYSA-N	303.721	1.027	50	20	DDGD	
O=C(NNC(=O)c1cnn(C(F)F)c1)NC1CCCCC1	864460635	FGVKICAHJYGBQW-UHFFFAOYSA-N	301.297	1.555	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccc(Cl)cc1C	869908002	HTGFACKAFIJQOM-UHFFFAOYSA-N	300.742	1.072	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(F)(F)F	862306205	GFBRAWOLFZCKJM-ZCFIWIBFSA-N	315.251	1.098	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1coc(C2CCOCC2)n1	768241716	REHGJKPZWBBUCI-UHFFFAOYSA-N	323.740	1.769	50	20	DDGD	
O=C(NN=C1CC[C@@H]1c1ccccc1)N[C@H]1CCS(=O)(=O)C1	769780834	SNKZVUKAHZFUON-QWHCGFSZSA-N	321.402	1.406	50	20	DDGD	
CC[C@@](NS(=O)(=O)CC(C)(C)CCl)(C(N)=O)C(C)C	867081263	KTUMWNKVOBRDGL-LBPRGKRZSA-N	312.863	1.461	50	20	DDGD	
CCc1ccc(C(C)=NNC(=O)CNC(=O)c2cccnc2)o1	763194241	WUDNNEAUFOYLKZ-UHFFFAOYSA-N	314.345	1.507	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NC1CCC(F)(F)CC1	761782455	ISHVSYNWMSIKNP-UHFFFAOYSA-N	303.231	1.847	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CCC[C@@H]2CCO)c1	875516673	XGXSXGRLLZCELC-GHMZBOCLSA-N	311.407	1.552	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cc(C)nn1C1CCN(C)CC1	878889022	RSFYQCOJXNHEAP-UHFFFAOYSA-N	324.385	1.193	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCO[C@H]2C=C)c1	874951083	AEMXILFHEGDSLL-KGLIPLIRSA-N	315.398	1.577	50	20	DDGD	
CO[C@@]1(CNC(=O)NNc2cc(F)c(F)cc2F)CCOC1	764806215	UHDYNBHACTUJMB-CYBMUJFWSA-N	319.283	1.536	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1c(N)cccc1Cl	772116318	WUNLJPLCOSJYKM-SSDOTTSWSA-N	313.741	1.025	50	20	DDGD	
CN(CCNC(=O)NNC(=O)c1ccccc1Cl)C1CC1	1116052532	NWXQSKZBDQCGNO-UHFFFAOYSA-N	310.785	1.378	50	20	DDGD	
O=C(NNc1ncccn1)C(=O)Nc1cccc(-n2cccc2)c1	773721831	UQQPXKPZORMVCM-UHFFFAOYSA-N	322.328	1.349	50	20	DDGD	
COCCOCC(=O)NN=Cc1ncc(Br)s1	872400848	VAULFRQFPYFFTC-UHFFFAOYSA-N	322.184	1.019	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cc(-c2ccc3c(c2)CCO3)no1	771220186	NORHCWZCWMMFCQ-UHFFFAOYSA-N	313.313	1.448	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@@H](C)C(=O)N2CCCC[C@H]2C)n1	875305317	PDXIHRGVBORZSS-OLZOCXBDSA-N	319.409	1.806	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cc(Br)cnc1C	879786131	CINURHRNJYSANP-UHFFFAOYSA-N	317.143	1.887	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1ccc(F)cc1Cl	872402702	AMWOJTVQDBCKPI-UHFFFAOYSA-N	302.733	1.982	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccn(C(F)F)n2)cc1	775679477	DJNCCTSUJRZVDK-UHFFFAOYSA-N	305.244	1.225	50	20	DDGD	
CC[C@H](C(=O)OC[C@@H](C)CBr)N1CCCC1=O	770389180	CPUOTFOZXVAVDS-VHSXEESVSA-N	306.200	1.962	50	20	DDGD	
CC(=O)CCCC(=O)NNC(=O)c1nc2ccccc2s1	874913035	AJAOMPDFMVEJNV-UHFFFAOYSA-N	305.359	1.817	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2cnc([C@H](C)O)s2)c(O)c1	773055778	UTWARCFBLNXMBZ-VIFPVBQESA-N	305.359	1.974	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1sc(C)cc1OC	772134904	JJBRCSGBEDBYLN-MRVPVSSYSA-N	314.363	1.168	50	20	DDGD	
COc1ccc(-n2cc(O)c(C(=O)NNC(=O)C(C)C)n2)cc1	779473587	UQIMIJLFSWRFGS-UHFFFAOYSA-N	318.333	1.004	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cccc(Br)n1	775619436	WRJKDHKOJWYNRU-UHFFFAOYSA-N	312.102	1.530	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCC1CCN(C2CC2)CC1	770622571	RMPBPRAUAKOECE-UHFFFAOYSA-N	310.442	1.627	50	20	DDGD	
C[C@@H](CBr)COC(=O)c1ccc(C(N)=O)cn1	770360309	SCIGRZOFQIIOLT-ZETCQYMHSA-N	301.140	1.368	50	20	DDGD	
COCCO[C@@H]1C[C@H](CO)CN(/C(=C\C#N)c2ccccc2)C1	773961238	GAZZIVCTGJMQOX-STYHQWKPSA-N	316.401	1.897	50	20	DDGD	
COC(=O)[C@H](C)n1cccc1C=NNC(=O)c1ccccn1	774575061	KMNUQSRHGLFEMR-NSHDSACASA-N	300.318	1.381	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1cccc(Br)n1	777885901	OFXLQLUSHIWZHN-UHFFFAOYSA-N	319.162	1.932	50	20	DDGD	
Cn1cc([C@@H]2CSCCN2S(=O)(=O)CCCCl)cn1	882123657	HOULNUVJJYKQIR-NSHDSACASA-N	323.871	1.469	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1cc(F)ccc1F	885145401	YHQSLKQEZGUALU-UHFFFAOYSA-N	301.293	1.886	50	20	DDGD	
Cc1ccsc1-c1cn(CC(=O)NNC(=O)C(C)C)nn1	881299244	CPRBJCGFCBVDBI-UHFFFAOYSA-N	307.379	1.118	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cccc(NC(=O)CC)c1	887142093	VTWAYXKXHNFKAV-UHFFFAOYSA-N	301.346	1.600	50	20	DDGD	
OC1CCN(Cc2cn(/C=C/CBr)nn2)CC1	883991907	UVOALMSTNKEVGQ-ORCRQEGFSA-N	301.188	1.100	50	20	DDGD	
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NNC(=O)c2cccnn2)o1	882061373	FXVZZEIBZFCKOT-PWSUYJOCSA-N	314.345	1.587	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@H]1CCCN1C1CC1	786681033	PTMLBZWSPZOXTQ-AWEZNQCLSA-N	321.808	1.657	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-]	786679709	BVXNJRXIIVSHNM-XGICHPGQSA-N	315.285	1.597	50	20	DDGD	
CCOc1c(Cl)cc(C=NNC(=O)C(C)(C)O)cc1OC	785466773	WOJFTYOBRFIDAK-UHFFFAOYSA-N	314.769	1.968	50	20	DDGD	
O=C(COC1CCCCC1)NNc1ccc(-n2ccnc2)nn1	788178416	OGZFFOMUVKWXCR-UHFFFAOYSA-N	316.365	1.455	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNc1ccccc1S(C)(=O)=O	784444548	HTIWIUGSQHXHPE-UHFFFAOYSA-N	307.375	1.494	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1	780515575	CXACPDWNMYBMAD-UHFFFAOYSA-N	324.340	1.597	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)Cn2ccc3ccccc32)CO1	784091988	SVROXNXLHIGMEV-WCQYABFASA-N	301.346	1.214	50	20	DDGD	
COc1cc(C)ccc1C(=O)NNC(=O)CNc1ccccc1	781893097	FLPYGHGDBVNBDK-UHFFFAOYSA-N	313.357	1.877	50	20	DDGD	
Cc1nc(O)c2ccc(C(=O)NN[C@@H](C)C(F)(F)F)cc2n1	897874921	ADEIKQVVEXJBEH-LURJTMIESA-N	314.267	1.829	50	20	DDGD	
CC1(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)COC1	782554766	CLINZIJBLNJELO-UHFFFAOYSA-N	301.302	1.139	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)CO1	784157166	QYYJKUVROKQUML-DTWKUNHWSA-N	320.374	1.324	50	20	DDGD	
C[C@@H](CBr)CN1CCN(CC(C)(C)O)[C@H](C)C1	782005072	WYXMECJFRUOYQR-NWDGAFQWSA-N	307.276	1.794	50	20	DDGD	
Nc1ncc(C=NNC(=O)COc2ccc(Cl)cc2)cn1	781579980	PEMCSUAHMNCAKX-UHFFFAOYSA-N	305.725	1.241	50	20	DDGD	
COC1CCC(=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)CC1	783809217	APVNNNWWFKFXHL-UHFFFAOYSA-N	306.322	1.852	50	20	DDGD	
O=C(NNC(=O)c1cccc(O)c1O)c1cc(Cl)ccc1O	790490459	OCBWGIDQIHACTO-UHFFFAOYSA-N	322.704	1.532	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H](C)NC(=O)OC(C)(C)C)nn1	792251581	UMBZDOIKQCTBCM-JTQLQIEISA-N	324.385	1.324	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@@H]2C[C@@H]3CC[C@H](C2)N3)n1	892607750	YPZGOARFDULAKP-CLLJXQQHSA-N	304.398	1.250	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)Cn1cnc2ccccc21	792808639	YTAQPKNJEPOWNM-IAQYHMDHSA-N	318.377	1.245	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H]1CCCN1C(=O)C(F)(F)F	791216240	MJCWILYOXGMQSN-SECBINFHSA-N	316.283	1.386	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)CCc1ccccc1	793329064	QTDWBSWYQIWOGS-JSGCOSHPSA-N	302.374	1.772	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1nn(-c2ccccc2)cc1C	798306160	WQTCZSVLZLZFRN-UHFFFAOYSA-N	315.402	1.476	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC=C(c2ccco2)C1	796121841	YKWHEIHTMLVSPQ-CYBMUJFWSA-N	319.405	1.951	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2c(C)cnn2C)cc1	794869234	UXHCJIFWHWBSCZ-UHFFFAOYSA-N	302.334	1.266	50	20	DDGD	
CCCN1CCC[C@H]1C(=O)NNC(=O)Cc1ccccc1OC	792797713	IYNFEUQTSKZFIL-AWEZNQCLSA-N	319.405	1.260	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)n1	793050313	FMCLESSISJWVEG-OCCSQVGLSA-N	318.377	1.292	50	20	DDGD	
Cc1cc(C(=O)NN=C2CC[C@H](C)C[C@H]2n2cncn2)n[nH]1	794523399	BKZQTWIFQLSURV-TVQRCGJNSA-N	301.354	1.457	50	20	DDGD	
Cc1cccnc1NNC(=O)c1ccc(S(C)(=O)=O)cc1	791220734	LOCHJBYAJGKHEQ-UHFFFAOYSA-N	305.359	1.550	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)[C@@H]1COCCN1C1CCCC1	793824661	OGEVDXSUBYJIJS-AWEZNQCLSA-N	324.812	1.243	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cnc(O)c3ccccc23)n1	794082058	WMBNORDFUDQCNK-UHFFFAOYSA-N	322.324	1.719	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=Cc1cnn(-c2ccc(F)cc2)c1	1321539750	CDMOIMWYUQWFHM-UHFFFAOYSA-O	324.339	1.449	50	20	DDGD	
CCCNC(=O)c1cccc(C(=O)NNc2ccn(C)n2)c1	1322272569	DJMIHNPAKUTDSP-UHFFFAOYSA-N	301.350	1.317	50	20	DDGD	
Cn1ccc(NNC(=O)Cc2ccc([Si](C)(C)C)cc2)n1	1328770778	JAVCOSCXWRGZNE-UHFFFAOYSA-N	302.454	1.651	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2scnc2C2CC2)ncn1	1320889779	TXSACQOZICDFQD-UHFFFAOYSA-N	318.362	1.201	50	20	DDGD	
Cc1csc([C@H](NCC(=O)NNC(=O)C2CC2)C2CC2)n1	1320219419	DCOCMAVQHNWWPM-GFCCVEGCSA-N	308.407	1.050	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cnn2ccncc12)c1ccccc1	1321045672	ANHQZUWUVHTDEY-UHFFFAOYSA-N	323.356	1.468	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2n[nH]c3c2CCCC3)CC[C@H]1C(=O)O	1324253915	NOIQNMYDKPHUNX-MWLCHTKSSA-N	318.377	1.895	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCn2ccnc2C1)c1ccccc1Cl	1325346162	NCKTXVCLYLJELJ-JTQLQIEISA-N	318.764	1.560	50	20	DDGD	
CC(C)[C@]1(C)C[C@H]1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1324151469	YGYKJYVTLNNKGF-ZBEGNZNMSA-N	304.394	1.732	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1nc2c(s1)CCCCCC2	1339875561	QGFCZXXQUFTMSP-UHFFFAOYSA-N	312.395	1.337	50	20	DDGD	
O=C(CO[C@H]1CCOC1)NNc1cc(Cl)ccc1[N+](=O)[O-]	1330677688	SWDXWCNJWBTPHS-VIFPVBQESA-N	315.713	1.497	50	20	DDGD	
COc1cccc([C@H](C)C(=O)NNc2nncc(N)c2Cl)c1	1333509542	RPUHDBFDLNAQRV-QMMMGPOBSA-N	321.768	1.968	50	20	DDGD	
CN(C)c1ccncc1C=NNC(=O)c1n[nH]c2c1CCCC2	1254196320	GHFLKPXNWZWMCU-UHFFFAOYSA-N	312.377	1.513	50	20	DDGD	
CCC[C@@H](CNC(=O)NNC(=O)c1ccc(OC)cc1)OCC	1330438815	GTLWNGVGVLLRSS-AWEZNQCLSA-N	323.393	1.844	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CCCN2CC(C)C)nc1	1262616676	WIKZMMCJSQOAMY-ZDUSSCGKSA-N	320.393	1.432	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=C1CCOC2(CCOCC2)C1	1349818952	ZPCXYCILVKYVPK-UHFFFAOYSA-N	304.350	1.341	50	20	DDGD	
CCCOc1ccc(NC(=O)NNC(=O)CCO)cc1OC	1261818514	ZPRUJNMUVFKKKA-UHFFFAOYSA-N	311.338	1.019	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1ccc(-c2cnco2)cc1	1343842958	QSTZIKIWQHQWRA-UHFFFAOYSA-N	302.334	1.828	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N[C@@H]2C=CCCC2)C[C@H]1Br	1351174960	MDISIQYYVTUGPU-GIPNMCIBSA-N	315.211	1.501	50	20	DDGD	
O=C(CCCn1ccc(C(=O)O)n1)NNc1ccc(Cl)nc1	1601273831	WDVZXXQQIXNJMC-UHFFFAOYSA-N	323.740	1.553	50	20	DDGD	
O=C(/C=C/c1ccncn1)NNc1ccc(F)c(C(=O)O)c1	1601242372	BQBKFSXVBOCBIC-DUXPYHPUSA-N	302.265	1.470	50	20	DDGD	
C[C@@H](C(=O)NNc1ccccc1C(=O)O)C(=O)OC(C)(C)C	1603173502	NUHFWVOMRCQLDK-VIFPVBQESA-N	308.334	1.806	50	20	DDGD	
Cn1c(NNC(=O)C23CC(C(=O)O)(C2)C3)nc2ccccc21	1600921493	CRSLLLXBMOPYGF-UHFFFAOYSA-N	300.318	1.271	50	20	DDGD	
Cc1c(CCC(=O)NNc2cccc(C(=O)O)c2)cnn1C	1600011619	OHCVLVZDIPTPMU-UHFFFAOYSA-N	302.334	1.503	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1ccc(C(=O)O)n1C	1607885229	IUHXKLUVVKYCPL-UHFFFAOYSA-N	316.317	1.498	50	20	DDGD	
O=C(O)c1cc(C(=O)NNc2ccncn2)n(-c2ccccc2)n1	1608837299	KEHFHTBCDFQNRH-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccnn1C)c1cn[nH]c1	1549319786	LLSKBGVZWNEBGC-OCCSQVGLSA-N	316.365	1.151	50	20	DDGD	
O=C(O)Cn1cccc1C=NNC(=O)c1cccc([N+](=O)[O-])c1	1610801372	VWMPIJWHJYMDCO-UHFFFAOYSA-N	316.273	1.245	50	20	DDGD	
N#CCC1(CNC(=O)NNc2ccc(C(=O)O)c(F)c2)CC1	1610621091	VOVZANKOAMSTEC-UHFFFAOYSA-N	306.297	1.844	50	20	DDGD	
CC(C)C[C@H](N)C(=O)NNc1cccc(Br)n1	1575640241	MMCADUASMJBEGE-QMMMGPOBSA-N	301.188	1.661	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@H]2CNCC2(C)C)c1	1578420690	SXIAUKZSQMKXLP-CYBMUJFWSA-N	319.409	1.469	50	20	DDGD	
CC[C@H]1NCC[C@@H]1NC(=O)NC[C@]1(C)C[C@H]1Br	1578239102	RHHZLZIGFKEXBS-KLBPJQLPSA-N	304.232	1.600	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H](F)[C@H]2CCNC2)cc1F	1578870982	NFQHBEIWANZQCM-UFBFGSQYSA-N	313.304	1.003	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1	1589831626	COMQSSTXLKRSQA-RKDXNWHRSA-N	301.412	1.171	50	20	DDGD	
O=C(C[C@]1(O)CCCNC1)NNc1ccc(F)cc1Cl	1580498228	VOIZGRBMIYYHSP-CYBMUJFWSA-N	301.749	1.427	50	20	DDGD	
CC(C)OCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](F)Cl	1847336600	VLOIMQHBACVDQQ-JBLDHEPKSA-N	306.765	1.148	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(C(=O)O)nn2C)ccc1Cl	1594325474	WRMBNQOKDSHDGF-UHFFFAOYSA-N	308.725	1.837	50	20	DDGD	
CCNc1cccnc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1590748509	YSWFBVUIRFIHSN-UHFFFAOYSA-N	324.348	1.450	50	20	DDGD	
Cc1ccc(NNC(=O)c2cc(O)cc(-c3nn[nH]n3)c2)cc1	1592184755	FRTLCCHUOOJITL-UHFFFAOYSA-N	310.317	1.638	50	20	DDGD	
CN(C)c1cnc(C(=O)NNc2cccc(F)c2C(=O)O)cn1	1598348474	PMHRRSCZHXDGCQ-UHFFFAOYSA-N	319.296	1.137	50	20	DDGD	
C[C@@H](Cn1cccn1)NC(=O)NNc1ccc(F)c(C(=O)O)c1	1592925643	GXWKJTNQLVLBKC-VIFPVBQESA-N	321.312	1.435	50	20	DDGD	
CCC(C)(CC)C(=O)NNC(=O)COc1ccc(C#N)cc1	158604643	ZDOJDMBZHLDIDY-UHFFFAOYSA-N	303.362	1.911	50	20	DDGD	
O=C(Cn1cc(C2CC2)nn1)NNC(=O)c1c[nH]c2ccccc12	158787498	UJQVBBFLWMNNQT-UHFFFAOYSA-N	324.344	1.098	50	20	DDGD	
CC[C@H](CC(=O)NNC(=O)C(=O)NC1CC1)c1ccc(C)cc1	155091306	OYYCRRHMBQZZCU-GFCCVEGCSA-N	317.389	1.305	50	20	DDGD	
O=C(NCCc1cc(F)cc(F)c1)NNC(=O)c1ccc[nH]1	155159345	PKTAEGQSDQSZPH-UHFFFAOYSA-N	308.288	1.480	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccnc(OCC(F)F)c1	154224203	WGHMGJOECHQBFE-UHFFFAOYSA-N	301.293	1.533	50	20	DDGD	
Cc1cccnc1CNC(=O)NNC(=O)CCc1ccccc1	105286886	GRBQIWWSSHCCKA-UHFFFAOYSA-N	312.373	1.853	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccc2ccccc2c1O	103424550	YHOANKGUCBKMAT-UHFFFAOYSA-N	321.336	1.944	50	20	DDGD	
Cc1cccc2[nH]cc(CC(=O)NNc3ncnc4nc[nH]c34)c12	173954280	PRGGYCUTYWGVDG-UHFFFAOYSA-N	321.344	1.828	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(C3CC3)[nH]n2)nc1	179783950	XFYOHYTUEHFYNY-UHFFFAOYSA-N	301.306	1.226	50	20	DDGD	
COCCCCC(=O)NNC(=O)c1cccc2ncccc12	106811459	RUWMARWLRWQWTD-UHFFFAOYSA-N	301.346	1.813	50	20	DDGD	
CN(CC(F)F)C(=O)NNC(=O)c1cccc(OC(F)F)c1	103516897	FCIOSYPDPQSSKZ-UHFFFAOYSA-N	323.246	1.839	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc2c(c1)CCCC2	55617397	LDRQVQXDLHIDSE-LLVKDONJSA-N	310.419	1.921	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@]12CCc1ccccc12)c1cccnc1	174975837	VGUJKXHKNYHCKG-QAPCUYQASA-N	307.353	1.747	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(-n2cccn2)c(F)c1	104327836	SSLMZQMUMGEENF-UHFFFAOYSA-N	319.340	1.756	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C1(C#N)CCCC1	52634152	XAESQDGNYHUWIV-LLVKDONJSA-N	319.336	1.824	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1ccc(N2CCCC2)nc1	173944852	WDSLMJZHEALIBC-UHFFFAOYSA-N	324.348	1.105	50	20	DDGD	
O=C(NCc1nccn1C(F)F)NNC(=O)c1ccccc1	170692824	MEHZOGIRTUCQPN-UHFFFAOYSA-N	309.276	1.422	50	20	DDGD	
CC(C)C(=O)NCCNC(=O)NNc1c(F)cccc1F	172468735	AFPCOTNFBPQHQL-UHFFFAOYSA-N	300.309	1.363	50	20	DDGD	
CC(=O)Nc1nc(C(=O)NNc2ccc(Cl)nn2)cs1	118497433	HYOSTNKQSGDQJJ-UHFFFAOYSA-N	312.742	1.302	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1	176711968	YSFAKBSBFZCHQE-OAHLLOKOSA-N	324.384	1.882	50	20	DDGD	
CC[C@H](C)N(C)CCNC(=O)NNC(=O)Cc1ccccc1F	66926474	QPBBMNZJZZMHOL-LBPRGKRZSA-N	324.400	1.429	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2cnn(CC3CC3)c2)n1	179886291	XSBZWPPUJALFHZ-UHFFFAOYSA-N	301.354	1.849	50	20	DDGD	
CCc1cccc(S(=O)(=O)NNC(=O)NCc2ccco2)c1	176462383	XFGGGWPPHWPHAT-UHFFFAOYSA-N	323.374	1.535	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1	127326728	VILOZGUMVXTAHH-UHFFFAOYSA-N	313.264	1.036	50	20	DDGD	
Cc1ncsc1CN(C)C(=O)NNC(=O)Cc1cccnc1	171760999	DPLQRPZJASVFBQ-UHFFFAOYSA-N	319.390	1.262	50	20	DDGD	
CCNC(=O)c1ccc(CNC(=O)NNC(=O)C(C)(C)C)cc1	124363691	LNWMAHDJGMYECB-UHFFFAOYSA-N	320.393	1.313	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2cn3ccccc3n2)oc1C	129655791	UMXUGVMLMZBOMY-UHFFFAOYSA-N	312.329	1.548	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NCc2cccs2)n1	73117371	IOZGCBILFUIJHW-UHFFFAOYSA-N	307.379	1.092	50	20	DDGD	
CSSCCNC(=O)c1cnn(C)c1Br	283939888	FPAGOYGGADTBMK-UHFFFAOYSA-N	310.242	1.924	50	20	DDGD	
COc1ccnc(NNC(=O)NCCc2c(F)cccc2F)n1	123293956	CLRLHTOJXZCMPA-UHFFFAOYSA-N	323.303	1.632	50	20	DDGD	
CCOc1cc(/C=C/C(=O)NNc2cnccn2)ccc1O	186983170	TXBDOQVVLIFRIB-GQCTYLIASA-N	300.318	1.737	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1ccc(F)nc1	78192007	RGSNMQWVXJWLSE-UHFFFAOYSA-N	303.293	1.199	50	20	DDGD	
CS[C@H](C)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	32486657	OQVRBCHMCNTWPM-RKDXNWHRSA-N	300.355	1.492	50	20	DDGD	
O=C(CC1(O)CCCC1)NNc1nnc(-c2ccccn2)s1	188187641	OOGXFUVHYYBTDN-UHFFFAOYSA-N	319.390	1.738	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)CCc2ccccn2)c1	181122454	DQVXPAKTEZRGDG-UHFFFAOYSA-N	319.386	1.561	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CCC[C@@H](C)C2)n1	47035887	XJIRQYWRIYRMHU-ZWNOBZJWSA-N	307.398	1.409	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@@H]1CCN2CCCC[C@H]12	47105612	HASVWNBPQFSBND-ZIAGYGMSSA-N	320.368	1.397	50	20	DDGD	
O=C(COC1CCCCC1)NNC(=O)c1cccc([N+](=O)[O-])c1	44255064	SPYFXUXEOITGDT-UHFFFAOYSA-N	321.333	1.705	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cc(F)cc(C(F)(F)F)c1	131030843	JKFNHQRKWAEODN-UHFFFAOYSA-N	307.247	1.167	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCc2ccco2)c(O)c1	190389160	JUKCMGGAPHDJAR-UHFFFAOYSA-N	303.318	1.692	50	20	DDGD	
CCN(C)C(=O)[C@H](C)NC(=O)/C(C#N)=C\c1ccc(F)cc1	191566136	LTXCRPRDDJWHCX-KWJWQAOWSA-N	303.337	1.716	50	20	DDGD	
Cc1nnc(NC(=O)NNC(=O)c2c[nH]c3ccccc23)s1	194264368	BVYICLVHRMMTJK-UHFFFAOYSA-N	316.346	1.794	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2C3)C[C@@H](C)O1	247598551	SZTZFDJGPOKQLD-AICCOOGYSA-N	323.437	1.069	50	20	DDGD	
COc1cc(OC)c(OC)cc1C=NNC(=O)c1ccccn1	254740464	WIJQOOOWHOUHMQ-UHFFFAOYSA-N	315.329	1.871	50	20	DDGD	
CC(=O)NNC(=O)[C@@H]1CCN(c2ccc(C(C)C)cc2)C1=O	266581372	MRXDNHQYKWSDOC-AWEZNQCLSA-N	303.362	1.330	50	20	DDGD	
CCCC[C@H](COC)NC(=O)NNC(=O)c1ccccc1F	265452856	AHJNECPOLOKUQK-LLVKDONJSA-N	311.357	1.975	50	20	DDGD	
COC(=O)c1ccc(/C=C/C(=O)NNC(=O)C2CCC2)cc1	264790897	RXSWNYNAROVMSK-JXMROGBWSA-N	302.330	1.434	50	20	DDGD	
CCCSCC(=O)NNC(=S)Nc1ccc(OC)nc1	264237577	DOQNTRLZNATZQM-UHFFFAOYSA-N	314.436	1.551	50	20	DDGD	
COCCCOc1ccc(C(=O)NNc2cnccn2)cn1	265111157	AOCWKYRRILKREU-UHFFFAOYSA-N	303.322	1.044	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1	273545306	ZDPAELQACRYVQN-CQSZACIVSA-N	319.361	1.807	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)CO[C@H](C)CC)nc1C	272142846	DUAWDXKPMNNASN-SECBINFHSA-N	310.354	1.220	50	20	DDGD	
CCC(C)(C)CNC(=O)NNC(=O)COc1ccccc1OC	277605075	IVANKKATFFQPBG-UHFFFAOYSA-N	323.393	1.841	50	20	DDGD	
N#CC1=CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1	272677958	MOXCIZNXQVYIJN-CYBMUJFWSA-N	313.332	1.861	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc2c(c1)OC(F)(F)O2	277120876	OBQGHQIXMHIOSE-UHFFFAOYSA-N	316.264	1.706	50	20	DDGD	
Cc1cncc(C(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1	273108847	AUBLECGXAANPPT-JTQLQIEISA-N	322.365	1.064	50	20	DDGD	
N#CC1=CCN(C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)CC1	272658110	GUXPBJXWDURYMT-UHFFFAOYSA-N	310.357	1.861	50	20	DDGD	
CCNC(=O)N(C)NC(=O)/C=C/c1ccc(OCC#N)cc1	272982200	MAJJLPNAKJVSNK-RMKNXTFCSA-N	302.334	1.295	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@@H]1CCCN1C1CC1	279975253	URUVFVBUEQYLJV-NSHDSACASA-N	303.391	1.761	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1	271357805	MTHMODHSIAWYFU-OAHLLOKOSA-N	318.421	1.591	50	20	DDGD	
CSSCCNC(=O)CCc1c(C)nc(C)nc1O	284047213	KQSDWHGNVVYUFQ-UHFFFAOYSA-N	301.437	1.859	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNC(=O)CSc1ccccc1O	285870109	RNGRJRFXQZWESZ-AWEZNQCLSA-N	307.375	1.572	50	20	DDGD	
CN(CCNC(=O)NNc1ccc2c(O)nccc2c1)C1CC1	288725333	APWMQNBSLZBDFZ-UHFFFAOYSA-N	315.377	1.661	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CCC[C@@H]1[C@@H]1CCCO1	283971337	LDDSJFXUOZWUKN-CABCVRRESA-N	317.389	1.993	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)Cc1ccccc1F	280493840	KIESMMHIYSNFRA-QWRGUYRKSA-N	306.337	1.521	50	20	DDGD	
O=C(NNc1nccnc1Cl)C1CCN(CC(F)F)CC1	280792060	OLNMEABIHFTFRK-UHFFFAOYSA-N	319.743	1.550	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1ccc(CC(C)C)cc1	288962619	PZRLHUGSVIDHHI-UHFFFAOYSA-N	300.380	1.777	50	20	DDGD	
N#CC1(C(=O)NNC(=O)Nc2cccc(Cl)c2)CCOCC1	283814062	XZMFBSSJJQUDSD-UHFFFAOYSA-N	322.752	1.813	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@H]2CCCCO2)ccc1[N+](=O)[O-]	296883749	QOUWLMGIAXYTJU-GFCCVEGCSA-N	322.321	1.625	50	20	DDGD	
CC(C)COc1ncccc1C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	293869638	IXBQBKNHMWZAJT-AAEUAGOBSA-N	321.377	1.445	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)C[C@@H]2C=CCC2)cc1	291103269	DXDAZYNFMSCBRV-GFCCVEGCSA-N	323.418	1.736	50	20	DDGD	
C[C@@H](CCNC(=O)NNc1ccncn1)NC(=O)OC(C)(C)C	296605156	KAPNOGRYAYCTNM-JTQLQIEISA-N	324.385	1.406	50	20	DDGD	
CC(C)CCOCCNC(=O)NNC(=O)c1ccccc1O	299366539	YJQBKOGIKLBJQW-UHFFFAOYSA-N	309.366	1.399	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1ccc(C)nc1Cl	800834045	NURWNMBBDGGHNP-UHFFFAOYSA-N	320.802	1.336	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ncc(F)cc2F)cc1	802060492	CHEZETJHLATANB-UHFFFAOYSA-N	322.271	1.835	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)CNc2ccccc2)no1	295851873	WLLPTFPYBKFDAE-UHFFFAOYSA-N	302.334	1.671	50	20	DDGD	
COc1ncc(C)cc1NC(=O)C(=O)NNc1cccc(F)n1	807391280	KWYKFJXVGDTSTI-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
CC(=O)NCC[C@H]1CCCN(S(=O)(=O)CCCCCl)C1	805136466	FXYISRLOIPBMHQ-CYBMUJFWSA-N	324.874	1.573	50	20	DDGD	
C[C@@H]1CCC[C@H]1NCC(=O)NNC(=O)c1cccc(Cl)c1	800392024	XLTOGDWAPCQIGD-ZWNOBZJWSA-N	309.797	1.879	50	20	DDGD	
CN(C)C(=O)N1CCC(C(=O)N(C)CC(Cl)Cl)CC1	808248038	AJUDGKVQZGJWHU-UHFFFAOYSA-N	310.225	1.642	50	20	DDGD	
C[C@H]1CSC[C@H]1NC(=O)NNc1ccc(-n2ccnc2)nn1	805789996	PLRJTRVJRNUDLZ-VHSXEESVSA-N	319.394	1.040	50	20	DDGD	
NC(=O)c1ccc(NC(=O)NNc2ncccc2F)c(F)c1	806317280	DJKYQUZRHJDZRJ-UHFFFAOYSA-N	307.260	1.607	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)c1	807036071	RQOBWGMXAZYHQF-VIFPVBQESA-N	316.283	1.386	50	20	DDGD	
Cn1c2c(ccc1=O)C(=NNC(=O)Cc1ccncc1)CCC2	814862204	FDDSQXCJBDYRBV-UHFFFAOYSA-N	310.357	1.180	50	20	DDGD	
O=C(NNc1ncncc1F)c1csc(-c2ccccn2)n1	817079959	CMYORMOJACXTGH-UHFFFAOYSA-N	316.321	1.891	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CC[C@H](C(=O)O)C[C@@H]1C	814865185	OJOYBVYGHACWBC-AXFHLTTASA-N	300.355	1.031	50	20	DDGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C)C(=O)O	818269707	LENBYRNPWCHJBZ-ZRVMKQEGSA-N	300.318	1.092	50	20	DDGD	
O=C(NN=C1CC(C(=O)O)C1)c1nnc(-c2ccccc2)o1	814816317	QKUTZADFLRFSHB-UHFFFAOYSA-N	300.274	1.317	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)CCc1ccncn1	819711308	RZQZQPWYRUCVAK-UHFFFAOYSA-N	318.308	1.478	50	20	DDGD	
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NN(C)C1CC1	819640907	GTVDVMXKMSHLJI-CQSZACIVSA-N	321.446	1.664	50	20	DDGD	
CC1(C)OCCC1=NNC(=O)C1CCN(c2ncccn2)CC1	814837244	NNMJDWCNBTUVBN-UHFFFAOYSA-N	317.393	1.364	50	20	DDGD	
CCN(CC)c1ccc(C=NNC(=O)Cc2cc[nH]n2)c(O)c1	814953668	LLAGESMFBWQPOO-UHFFFAOYSA-N	315.377	1.654	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NN=Cc1cnn(C)c1N	814917540	WYNDWAHTBNOBMH-SECBINFHSA-N	321.768	1.573	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2c[nH]c(C(F)(F)F)c2)cc1	814674800	DFVBKOXAPLFZDK-UHFFFAOYSA-N	322.246	1.980	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)COCc1nncn1C	816782159	LQRHTBBOVGSPPW-UHFFFAOYSA-N	317.393	1.907	50	20	DDGD	
Cc1cc(OC(=O)CCN2C(=O)CCC2=O)ccc1[N+](=O)[O-]	728189752	SSIKFGHQTBEOIK-UHFFFAOYSA-N	306.274	1.348	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)c2cc3c(s2)CCC3)cn1	728855726	LPBXTMTTWPMPJO-UHFFFAOYSA-N	311.366	1.688	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NNC(=O)Cc1cccnc1	491088106	YPMZREXLJXIWQF-ZSOIEALJSA-N	322.324	1.084	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1n[nH]c2ccccc12	826449528	XJQXSOQROJJACA-UHFFFAOYSA-N	320.316	1.500	50	20	DDGD	
CC(=NNC(=O)CCNC(=O)OC(C)(C)C)c1nccs1	495274896	CVLSHYRNKGSZTE-UHFFFAOYSA-N	312.395	1.898	50	20	DDGD	
C[C@H](CNC(=O)/C(C#N)=C\c1cnn(C)c1)CN1CCCCC1	491157943	BKYCOFVWWCCOBS-MEFZMRIGSA-N	315.421	1.565	50	20	DDGD	
COCCN(C)NC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCC1	496789794	HGPYFLIEIAYCKQ-GFCCVEGCSA-N	315.414	1.289	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCCOC1CCCC1	825821061	FQKXWPHTVBGSPK-DGCLKSJQSA-N	313.398	1.091	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cnc(-c2ccccn2)s1	727673335	NUHIYDNFUIWKIK-UHFFFAOYSA-N	317.374	1.559	50	20	DDGD	
COC(=O)Nc1ccc(NC(=O)NNc2cnccn2)cc1F	496787988	XKHFKPOAXHYNJH-UHFFFAOYSA-N	320.284	1.943	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ccc2c(=O)[nH]ccc2c1	824694951	SUVLLOMKCVFRSM-UHFFFAOYSA-N	300.318	1.481	50	20	DDGD	
Cn1ncc(C2CC2)c1CNC(=O)NNC(=O)OC(C)(C)C	822400423	IIMVLOYBIVGPDR-UHFFFAOYSA-N	309.370	1.536	50	20	DDGD	
CC(C)(C)N1CC[C@H](NC(=O)NNc2ncccc2F)C1=O	827086724	PRDIFPSLZDNISZ-JTQLQIEISA-N	309.345	1.246	50	20	DDGD	
CC[C@H]1CCCCN1CCNC(=O)/C(C#N)=C/c1cnn(C)c1	491162198	QZJLNBALZYATQZ-KMPOOHAWSA-N	315.421	1.708	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)CC(F)(F)F)NC(=O)C1CCCC1	727165088	ZZUYANHJQAVKPU-MRVPVSSYSA-N	323.315	1.171	50	20	DDGD	
CC(=O)N[C@H](CCC(C)C)C(=O)NNC(=O)c1ccc(C)o1	829831717	QTIJKXXGYFLRNK-GFCCVEGCSA-N	309.366	1.290	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCCc2cnccn2)cc(C#N)n1C	490693625	JKNXUDXXFSYYLP-AUWJEWJLSA-N	320.356	1.261	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)cc1	905119350	XKOBZIBUPQAPTO-AEGPPILISA-N	314.385	1.970	50	20	DDGD	
C[C@@H]1[C@](F)(Cl)[C@]1(C)C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	905484906	DDAUQSWMHGIXNQ-FUVSOYRFSA-N	317.792	1.512	50	20	DDGD	
CC[C@@H]1CCC[C@H]1C(=O)NNC(=O)c1cncc(NC(C)=O)c1	827148615	MPTNSUUVQFIYPF-BXUZGUMPSA-N	318.377	1.627	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2CC23CCC3)o1	820203104	PRGBLIRCFPLKPV-QMMMGPOBSA-N	317.353	1.611	50	20	DDGD	
CCN(CCO)NC(=O)c1csc(Br)c1C	823873933	JDTILZFWMICRTQ-UHFFFAOYSA-N	307.213	1.778	50	20	DDGD	
OB(O)c1cccc(-c2noc(C3CC4(CCOCC4)C3)n2)c1	585053706	BUQDVUWVPOLYOZ-UHFFFAOYSA-N	314.150	1.091	50	20	DDGD	
Cc1ccc(NNC(=O)Nc2ccc3c(c2)OCCO3)nn1	730022051	TVKHZOVPDPFAIU-UHFFFAOYSA-N	301.306	1.705	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cccc2c1OC(F)(F)O2	821750868	UCBLWKFRZFFSGE-UHFFFAOYSA-N	312.272	1.959	50	20	DDGD	
CCCNC(=O)NNC(=O)CCCc1ccc(OC)c(OC)c1	900396394	XJEWGBBZLVFHDR-UHFFFAOYSA-N	323.393	1.767	50	20	DDGD	
O=C(NNc1ccc(F)cc1Br)[C@H]1C[C@@H](O)C1	821148563	TYCHPLWZFCDKSS-WRXNHJIOSA-N	303.131	1.802	50	20	DDGD	
COC[C@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)c1ccc(C)o1	491044202	BNWPZOATWIPTQD-BLXFFLACSA-N	314.345	1.732	50	20	DDGD	
CC(C)S(=O)(=O)CC(=O)NNc1cc(F)c(F)cc1F	734552636	IRKWVKWMUHLGSW-UHFFFAOYSA-N	310.297	1.370	50	20	DDGD	
CC(C)OCc1ccc(NC(=O)NNC(=O)c2cc[nH]n2)cc1	820436243	URFLXVUCKZEFTE-UHFFFAOYSA-N	317.349	1.801	50	20	DDGD	
OB(O)[C@H]1CCN(Cc2cn(-c3ccc(F)cc3Cl)nn2)C1	585078156	ZQPJHRVWBCCPLE-VIFPVBQESA-N	324.552	1.109	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1	826649137	ZWLDMTBRGVAKBK-GSVCSZOMSA-N	321.352	1.437	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(OC)ccc1Br	490935355	KDWRUZICNOUQQO-UHFFFAOYSA-N	318.127	1.850	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(S(C)(=O)=O)ccc2C)ncn1	734254182	MNNWBHHRIBFIAW-UHFFFAOYSA-N	320.374	1.254	50	20	DDGD	
OB(O)c1ccc(CN[C@H](c2nccs2)C2CC2)c(F)c1	585027012	MWKQHYWHQWKCKV-ZDUSSCGKSA-N	306.171	1.203	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(-c2nn[nH]n2)c(Cl)c1	736586672	OWTKLZGUXXQEJN-FPLPWBNLSA-N	318.724	1.903	50	20	DDGD	
O=C(CCCn1ccccc1=O)NN=c1cc[nH]c2ccccc12	735115987	WHJLWSWRHDXDIZ-UHFFFAOYSA-N	322.368	1.742	50	20	DDGD	
Cc1nc(-c2ccccc2)ccc1C(=O)N1CC[C@H](B(O)O)C1	585069270	KISCTRUGIGFCPA-AWEZNQCLSA-N	310.162	1.746	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNC(=O)NCc2ccco2)s1	900386225	NOVBXQCFAJEMRF-UHFFFAOYSA-N	308.363	1.426	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@@H]1c1ccccc1)c1ncon1	832826138	RUMFEWGQJWQUAV-NEPJUHHUSA-N	300.318	1.415	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C[S@](=O)c1ccc(Cl)cc1	908449408	VPEJSXQMSCUTEB-FQEVSTJZSA-N	314.794	1.395	50	20	DDGD	
Cc1ccccc1NNC(=O)Cc1ccc(-c2nn[nH]n2)cc1	737435145	HSARQHGJOPXZDG-UHFFFAOYSA-N	308.345	1.861	50	20	DDGD	
C=CCc1ccc(OCC(=O)NNC(=O)C2CCC2)c(OC)c1	732141270	PZCPBRAAGXNKSX-UHFFFAOYSA-N	318.373	1.750	50	20	DDGD	
CN(CC(=O)OC(C)(C)C)C(=O)[C@]1(C)C[C@H]1Br	906490048	XWQNMDIHDQFBIL-PRHODGIISA-N	306.200	1.960	50	20	DDGD	
CCN(CC)[C@H](C(=O)N1CC[C@H](B(O)O)C1)c1ccccc1	585068600	CJYLLJSOPOEFMJ-GJZGRUSLSA-N	304.199	1.145	50	20	DDGD	
Cc1ccccc1C(=O)NN[C@@H](C(=O)O)c1cccc(C#N)c1	832976840	GHHWJADHWLYVCW-OAHLLOKOSA-N	309.325	1.927	50	20	DDGD	
C=C(CI)n1cc(CC2(O)CCC2)nn1	900640854	DQECLECYWGRAQC-UHFFFAOYSA-N	319.146	1.641	50	20	DDGD	
Cc1cc(N(C)C)ccc1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	831236041	RFHDGFYYFNDSOC-DGCLKSJQSA-N	320.393	1.639	50	20	DDGD	
COc1cc(C=NNC(=O)c2cnn(C)c2)cc(Cl)c1OC	735411979	FRMHABQUOBWGLF-UHFFFAOYSA-N	322.752	1.855	50	20	DDGD	
CC[C@@H](CC(C)C)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	839225811	PSAZKWQSTGWWTL-QWHCGFSZSA-N	304.456	1.551	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)c1	907817418	MUFDMQVYLDECQQ-IACUBPJLSA-N	316.361	1.448	50	20	DDGD	
CN1C(=O)CCC[C@H]1C(=O)NNc1ccc(F)c(F)c1F	907097816	ZCABGGZKBWUNFJ-VIFPVBQESA-N	301.268	1.558	50	20	DDGD	
CCOc1ccc(SCC(=O)N2CC[C@H](B(O)O)C2)cc1	585074722	NTTVOVUYSHANDI-NSHDSACASA-N	309.196	1.253	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@H]2CCCc3nn[nH]c32)c1	831543193	FARVQVLRHZRMGU-QMMMGPOBSA-N	317.740	1.288	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1	839780271	RKCRXTRMMBOPHJ-QWHCGFSZSA-N	303.318	1.646	50	20	DDGD	
O=C(CN1CC[C@@H](c2ccco2)C1)NNC(=O)c1cccs1	732205100	AOKQSVRVECXJRW-LLVKDONJSA-N	319.386	1.592	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCC[C@H]2CCOC2)n1	836647426	MALQDZJGMJERHJ-NSHDSACASA-N	309.370	1.236	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)nc1	730740875	OGEQFLUYKZGHHK-UHFFFAOYSA-N	324.384	1.931	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1sccc1-c1ccc(F)cc1	733359786	QTJGFBYHAWTXPY-UHFFFAOYSA-N	321.377	1.877	50	20	DDGD	
CCOc1ncc(C)cc1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	831840664	PSGVXDFWMJMWKY-GHMZBOCLSA-N	322.365	1.366	50	20	DDGD	
CS(=O)(=O)c1ccc(C(=O)NNc2ncccc2Cl)o1	734246235	GKXWPLUDHCSKOF-UHFFFAOYSA-N	315.738	1.488	50	20	DDGD	
Cc1cn(C)nc1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	839463020	RPOGFTZQDQZMEE-UHFFFAOYSA-N	316.405	1.706	50	20	DDGD	
C#CCOc1ccc(C(C)=NNC(=O)N2CCOCC2)cc1	733203621	SMODVUIUJXVLTR-UHFFFAOYSA-N	301.346	1.464	50	20	DDGD	
COc1cccc(-c2cc(C(=O)NN(C)C[C@@H](C)O)on2)c1	910185453	ZUDNUHGBNAALNM-SNVBAGLBSA-N	305.334	1.308	50	20	DDGD	
CC[C@H]1CCCN1CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	839480634	SGZGSGQCIPWFJG-LBPRGKRZSA-N	320.349	1.230	50	20	DDGD	
Cc1nn(C)c(C)c1CCC(=O)NNC(=O)CC(F)(F)F	918364067	IOZULCIPYXRUHV-UHFFFAOYSA-N	306.288	1.069	50	20	DDGD	
CC[C@H](OC1CCCCC1)C(=O)NNC(=O)[C@H]1CCCCO1	833246596	NNQYKRDCSVMKID-UONOGXRCSA-N	312.410	1.831	50	20	DDGD	
O=C(CCC(F)(F)F)NNC(=O)c1ccc2c(c1)OCO2	742471179	ADIPMBQDXSVLCW-UHFFFAOYSA-N	304.224	1.519	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CSCc1cccc(Cl)c1	910181528	UIMMBWCLNJVCEB-SNVBAGLBSA-N	302.827	1.917	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccccc1S(=O)(=O)C(F)F	841375425	JQGAYFRLBPDWPH-UHFFFAOYSA-N	320.317	1.100	50	20	DDGD	
CN1CCC(C(=O)NNc2ncc(Br)cn2)CC1	848321127	JNHUNIPBYGRXQJ-UHFFFAOYSA-N	314.187	1.024	50	20	DDGD	
COC(=O)c1occc1C=NNC(=O)c1ccc(Cl)nc1	915979423	SXEKEKVNHUJCJJ-UHFFFAOYSA-N	307.693	1.879	50	20	DDGD	
Cc1ccc2c(CC(=O)NNC(=O)N3CCOCC3)coc2c1	745992740	JHPYWEAKLZOQEV-UHFFFAOYSA-N	317.345	1.357	50	20	DDGD	
CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NN	841869138	YOFCXGWPTLONFO-XCBNKYQSSA-N	302.172	1.698	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cn(C)nc1-c1cc(F)ccc1F	910183503	LREOEXIYFQNXAN-SECBINFHSA-N	324.331	1.323	50	20	DDGD	
O=C(NNc1ccc(Br)c(F)c1)[C@@]1(O)CCOC1	840423555	CVSAUEAVBMFXDV-LLVKDONJSA-N	319.130	1.183	50	20	DDGD	
NC(=O)C(=O)NN=C1CCCc2nc(-c3ccccc3)sc21	747041870	IQWXSMDYIDZDGJ-UHFFFAOYSA-N	314.370	1.452	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1cc(C)cc(C)c1	743446565	ZSXZGCPKZUQPEP-UHFFFAOYSA-N	314.345	1.588	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@H]2CCO[C@@H](C)C2)cc1	846377582	GOYAJNZARQDWDO-AAEUAGOBSA-N	306.362	1.660	50	20	DDGD	
Cn1ccc(CNC(=O)NN=c2sc3ccccc3n2C)c1	747956686	WTGWMQUMEJKYMS-UHFFFAOYSA-N	315.402	1.893	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCCCN1C1CCCC1	843970485	GOKDTWMAXPCTML-QEJZJMRPSA-N	323.437	1.356	50	20	DDGD	
CO[C@@H]1CCCCC1=NNC(=O)Cc1cn2ccccc2n1	747638026	GHKZTNOFSYUZCD-CQSZACIVSA-N	300.362	1.938	50	20	DDGD	
CC(C)O[C@@H]1CCCN(CC(=O)NNC(=O)c2ccccc2)C1	844380594	XPEFOKVMOQIVDT-OAHLLOKOSA-N	319.405	1.337	50	20	DDGD	
CN(CCC1CC1)CC(=O)NNC(=O)c1ccc(C#N)cc1	749531954	POJLREIMQNJWKA-UHFFFAOYSA-N	300.362	1.051	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2cccc3c2OCO3)cs1	915947317	PAYPVKBYUODNLK-UHFFFAOYSA-N	303.343	1.873	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccccc1OC1CCCC1	841057105	IEYGXPGADYYXSY-UHFFFAOYSA-N	320.393	1.900	50	20	DDGD	
C[C@H]1CN(C[C@@H](C)C(=O)NN=Cc2cccs2)C[C@@H](C)O1	916372606	RZVBHPBEDHIHQP-UPJWGTAASA-N	309.435	1.944	50	20	DDGD	
Cc1c(NNC(=O)c2cc(C(N)=O)cs2)cccc1[N+](=O)[O-]	748682516	FMXVXVKJPVKTLZ-UHFFFAOYSA-N	320.330	1.821	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)NC[C@H](C)CN)c(Cl)c1	841963642	UTRAFOVOQYSNMJ-SECBINFHSA-N	313.789	1.579	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccccc1F	843648954	SJZBGVLVPULEOA-WZRBSPASSA-N	308.353	1.892	50	20	DDGD	
Cn1ncc2c1CCCC2=NNC(=O)Cc1ccc(F)cc1	915952347	VQZKMMRENJVIQO-UHFFFAOYSA-N	300.337	1.959	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc(C)cc1)c1cnn(C)c1	847073025	CMFOYOVCFDFGGL-UHFFFAOYSA-N	315.377	1.016	50	20	DDGD	
CCN(Cc1cnn(C)c1)S(=O)(=O)CC(C)(C)CCl	866591161	GIPQYAMOLYOHCZ-UHFFFAOYSA-N	307.847	1.837	50	20	DDGD	
CC#CC[C@H](CO)NC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	844118170	LBKLBXGTFDOOAH-XIEDVDOYSA-N	310.357	1.003	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1ccccc1C	743446480	WELAULNKVQKGRF-UHFFFAOYSA-N	300.318	1.279	50	20	DDGD	
C[C@@]1(C(=O)Nc2ccc(CO)c(CO)c2)C[C@@H]1Br	912603530	TVFPIZOKJXZNKU-WCQYABFASA-N	314.179	1.783	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@@H]2CCCSC2)cc1	845021559	KRROJTJWHSNVPQ-CYBMUJFWSA-N	323.418	1.924	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@H](CC(C)C)OC)c1O	842227352	QBGUEBMKGDLPAV-LBPRGKRZSA-N	310.350	1.223	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCCC1=NNC(=O)Cc1ccncc1	747643600	KMOAGCAJZAALJM-ZDUSSCGKSA-N	309.391	1.084	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@H]1C1CCCC1)c1ncccn1	841593259	BESRYDMMXGSTDH-LBPRGKRZSA-N	303.366	1.486	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)[C@@H]1CCS(=O)(=O)C1	928336423	NSOGEXNGQTWIDR-SECBINFHSA-N	302.783	1.526	50	20	DDGD	
CSc1ccc(CCCC(=O)NNC(=O)C(C)(C)O)cc1	843865252	OWZMMEYMHWNFLR-UHFFFAOYSA-N	310.419	1.650	50	20	DDGD	
N#CC1(CNC(=O)NNC(=O)Cc2ccccc2F)CCC1	842199615	VIRKHTALALFQJY-UHFFFAOYSA-N	304.325	1.392	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)CCOc1ccccc1)n1ccnc1	845340917	SERDZFJSJLIWFQ-ZDUSSCGKSA-N	316.361	1.451	50	20	DDGD	
O=C(CSc1ccccc1[N+](=O)[O-])NNC(=O)NCC1CC1	920860161	HZIDQDPEWANCPW-UHFFFAOYSA-N	324.362	1.427	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1cccnc1N1CCCC1	852083601	IDDPTWFMSWPGEF-UHFFFAOYSA-N	319.409	1.558	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@H]1CCN(c2ccccn2)C1	753730410	ZGNONPHVWJOUKR-ZDUSSCGKSA-N	317.393	1.181	50	20	DDGD	
C[C@H]1COC[C@@H]1NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	925989996	DBCZIBRBISSJMC-FZMZJTMJSA-N	319.405	1.963	50	20	DDGD	
C[C@]1(CNC(=O)NCC2(C(=O)O)CCC2)C[C@@H]1Br	857101266	VHGDYANCKHGLIK-GZMMTYOYSA-N	319.199	1.714	50	20	DDGD	
CN1C(=O)CC[C@@H]1CC(=O)NNC(=O)Nc1ccc(Cl)cc1	854377012	FLILKGBOUWQRHV-LLVKDONJSA-N	324.768	1.504	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccccc2[N+](=O)[O-])nc1	759740424	XYYPYYNGZSAXOJ-UHFFFAOYSA-N	316.273	1.533	50	20	DDGD	
CCC1(CC)[C@@H](OC)C[C@H]1NCC(=O)NNC(=O)C(C)(C)C	759598380	ALDRKXSRBTYEDY-NEPJUHHUSA-N	313.442	1.363	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N(C)CC2=CCCOC2)cc(C#N)n1C	855740093	QXSUILUMGPMEHU-FRKPEAEDSA-N	324.384	1.917	50	20	DDGD	
COC(C)(C)C[C@H](C)NC(=O)NNC(=O)c1cccc(F)n1	852147963	YSMJOYCRVOLYEU-VIFPVBQESA-N	312.345	1.368	50	20	DDGD	
CC(C)(CCC(=O)NNC(=S)NCC1CCC1)[N+](=O)[O-]	855087702	OOVLOYUMUKVKIK-UHFFFAOYSA-N	302.400	1.117	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@@H](C(=O)O)C2)C[C@H]1Br	857100551	JDWYDPJRMDEQQS-KBVBSXBZSA-N	319.199	1.666	50	20	DDGD	
CCc1ccc(C#CC(=O)NNC(=O)OCC(F)(F)F)cc1	856019562	XSANHEFJHNOXLW-UHFFFAOYSA-N	314.263	1.920	50	20	DDGD	
CN1N=C(C(=O)OC[C@@H](CBr)C2CC2)CCC1=O	859482778	YUGRVUSZVAVEMN-SECBINFHSA-N	317.183	1.559	50	20	DDGD	
CC1C[C@@H]2CC[C@H](C1)N2CC(=O)NNC(=O)c1cccs1	852701057	YOYOFULEXAOGFS-YOGCLGLASA-N	307.419	1.772	50	20	DDGD	
COc1ncc(C)cc1NC(=O)NNC(=O)c1ccccn1	756847891	IIPYHGDWHWMDEY-UHFFFAOYSA-N	301.306	1.260	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2nccnc2C)cc1	854510617	QMWSYUZHYUAOGU-UHFFFAOYSA-N	314.345	1.187	50	20	DDGD	
CC[C@H](C)n1ncc(C(=O)NN(C)C(=S)NC)c1C1CC1	854923186	LGBNUAZGYTYVAM-VIFPVBQESA-N	309.439	1.812	50	20	DDGD	
COC(=O)c1csc(NC(=O)NNC(=O)c2ccc(C)o2)c1	757680940	SOINDYSLVAFAAK-UHFFFAOYSA-N	323.330	1.903	50	20	DDGD	
CC(C)(O)C1CN(C(=O)NC[C@@]2(C)C[C@H]2Br)C1	856955613	PXGYWEXZBVBKAK-BXKDBHETSA-N	305.216	1.572	50	20	DDGD	
CCCN(CC)c1ccc(C(=O)NN(C)C(=S)NC)cn1	854925187	FOOHFDACGIMHCN-UHFFFAOYSA-N	309.439	1.399	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21	750937050	PJKQQTNFYDKGOD-XQHKEYJVSA-N	315.373	1.938	50	20	DDGD	
C[C@H]1Cc2ccccc2C1=NNC(=O)[C@@H]1CCS(=O)(=O)C1	751134668	NZFFPMRPVWQNJX-CMPLNLGQSA-N	306.387	1.134	50	20	DDGD	
C[C@@H](Oc1ccccc1)C(=O)NNC(=O)OCC(F)(F)F	856026959	SUKKCNFTCQITFD-MRVPVSSYSA-N	306.240	1.774	50	20	DDGD	
C[S@@](=O)c1ccc(CNC(=O)NNC(=O)C2CCCC2)cc1	753051567	QAUKMGRTXPTNCZ-JOCHJYFZSA-N	323.418	1.445	50	20	DDGD	
Cc1ccoc1CC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	854223344	DFZITQWYVMRPEN-NSHDSACASA-N	320.320	1.885	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(C(=O)OC)ccc1Cl	854920778	IHVYSSNFOFSNQE-UHFFFAOYSA-N	315.782	1.208	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=S)NCc1ccon1	764453973	WQGNJVZNBNELNS-UHFFFAOYSA-N	308.338	1.052	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@H]1CCCN1C1CC1	862288496	MYGHHPSKFWRQGW-OAHLLOKOSA-N	317.389	1.913	50	20	DDGD	
CCC(=O)c1ccc(C(=O)NNc2ccnc(N(C)C)n2)cc1	761569392	QFNMRJYGNLDBKU-UHFFFAOYSA-N	313.361	1.892	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1CCc2c(OC)cccc21	760207026	DCEMFAHIEFPUMM-LBPRGKRZSA-N	307.350	1.049	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C=NNC(=O)c1cn[nH]c1	863152063	DXLVCOTYPLTWIE-GXFFZTMASA-N	302.338	1.027	50	20	DDGD	
CCOc1ccc(CC(=O)NNC(=O)Cc2cc(C)[nH]n2)cc1	869013157	OVBAILQHAOVEBZ-UHFFFAOYSA-N	316.361	1.049	50	20	DDGD	
COCCOCC(=O)NNC(=O)C[C@@H](C)c1cccc(F)c1	869910840	ZFAPAZOBJRSKRQ-LLVKDONJSA-N	312.341	1.130	50	20	DDGD	
Cn1cnc2cc(C=NNC(=O)C(=O)Nc3ccccn3)ccc21	761265800	BSVVRSNOLFOCKI-UHFFFAOYSA-N	322.328	1.057	50	20	DDGD	
Cc1nc([C@H]2CCOC2)sc1C(=O)NNC(=O)C1CCC1	865702014	SWVHOGOXTNYCQH-JTQLQIEISA-N	309.391	1.517	50	20	DDGD	
O=C(NNc1ccc(F)c(Cl)c1)[C@@H]1CN2CCCN1CC2	863081695	UNZACVFKWRHYLC-ZDUSSCGKSA-N	312.776	1.312	50	20	DDGD	
O=C(CNc1cccc(C(F)(F)F)c1)N1CC[C@@H](B(O)O)C1	864231774	SDARRJKZXAXONH-SNVBAGLBSA-N	316.088	1.193	50	20	DDGD	
COCCN1CC[C@H](NC(=O)[C@H](Br)C(C)(C)C)C1	768031110	OTFWGBYCKJTNRJ-QWRGUYRKSA-N	321.259	1.633	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	864471644	GUDVLBWPHQLEER-ZZTKBFGJSA-N	321.421	1.265	50	20	DDGD	
CC(C)N1C[C@H](NS(=O)(=O)CC(C)(C)CCl)CC1=O	866701759	USHFIWNZGMPUJC-SNVBAGLBSA-N	310.847	1.180	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)c1cn(C2CC2)nn1	862289679	VGJDXLBSNKWNLC-UHFFFAOYSA-N	315.333	1.526	50	20	DDGD	
CC1=C(C(=O)NNc2cccc(C)n2)[C@@H](C)n2ncnc2N1C	862521321	ZMZSAZFIRBGSHS-LLVKDONJSA-N	313.365	1.410	50	20	DDGD	
CC(C)(C)OC(=O)C1CCC(=NNC(=O)[C@H]2CCC(=O)N2)CC1	863147487	GVQQPLDAOHINKQ-TVKKRMFBSA-N	323.393	1.269	50	20	DDGD	
COC(=O)c1cn([C@H]2CCN(/C(=C\C#N)c3ccccc3)C2)nn1	760866938	BFDUAOVATKUENT-DCOUHSHFSA-N	323.356	1.876	50	20	DDGD	
C[C@H](NNC(=O)c1csc(-c2cnn(C)c2)n1)C(F)(F)F	862309514	LWCYGFNXCVFFDF-LURJTMIESA-N	319.312	1.729	50	20	DDGD	
C[C@@H](NNC(=O)Cn1cc(-c2ccccc2)nn1)C(F)(F)F	862314433	BBAUJSQXMKEJSR-SECBINFHSA-N	313.283	1.517	50	20	DDGD	
CC(C)CN1N=C(C(=O)NN(C)c2ccccc2)CCC1=O	768685123	AGANTTDDMLQREY-UHFFFAOYSA-N	302.378	1.788	50	20	DDGD	
CCOC(=O)c1ccc(NC(=O)NNc2ncc(F)cn2)cc1	760310963	YVPVFOVDBBAAAY-UHFFFAOYSA-N	319.296	1.941	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccnn1Cc1ccc(F)cc1	879277281	BXDGXSCTGSXDQG-UHFFFAOYSA-N	321.356	1.685	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1COc2ccc(F)cc2C1	1119982797	CFZGOOJJWXMTAZ-GFCCVEGCSA-N	304.321	1.328	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cnc3n2CCCCC3)c1Cl	1118767040	RVTOKDDBYSOIAK-UHFFFAOYSA-N	321.772	1.392	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=C1CCC[C@H]1F	872381430	OZBMNVMSCZXHJI-ZYHUDNBSSA-N	311.357	1.897	50	20	DDGD	
CS(=O)(=O)c1ccc([C@@H]2CN(C(=O)CCl)CCO2)cc1	1118979361	SZWJZHBMQWCKEV-LBPRGKRZSA-N	317.794	1.229	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)Oc1ccc(F)cc1)c1cn(C)cn1	872334431	XOLGJCCRFFDYIT-LLVKDONJSA-N	304.325	1.867	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CC[C@H](C(C)C)CC1	772214656	AZSHXWYGJJQRCS-AVGNSLFASA-N	312.410	1.938	50	20	DDGD	
CCN1C[C@@H](NC(=O)NNc2cccc(F)c2Cl)CC1=O	875643002	SIGKCGQIUXOVAY-QMMMGPOBSA-N	314.748	1.726	50	20	DDGD	
C#CCCCCCC(=O)NNC(=O)COc1ccccc1OC	779873320	HWROSFKUJHINKG-UHFFFAOYSA-N	318.373	1.805	50	20	DDGD	
O=C(NCc1ccc2c(c1)COC2)NNC(=O)C1CCCC1	770417592	FODLYOWLJMVVEJ-UHFFFAOYSA-N	303.362	1.737	50	20	DDGD	
Cc1cccc(NNC(=O)NCC2CCN(C3CC3)CC2)n1	875537168	VZQXEQOMKFRWOC-UHFFFAOYSA-N	303.410	1.891	50	20	DDGD	
COCC(=NNC(=O)C(=O)NCc1ccc(Cl)cc1)C1CC1	771562602	PQJKVJWJHXHHNJ-UHFFFAOYSA-N	323.780	1.485	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)NNc2ncccn2)C1	778413337	JNBJUIUKPPZWRC-NSHDSACASA-N	321.381	1.567	50	20	DDGD	
COCCOCCCNC(=O)NNC(=O)c1cc(C)cs1	875231229	RNCYMVMGRZTDPT-UHFFFAOYSA-N	315.395	1.054	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1cnc2c(c1)COCC2	775718305	CHGHWGWNGZXULD-UHFFFAOYSA-N	304.285	1.232	50	20	DDGD	
Cc1ccc(NC(=O)NNc2cccc(S(C)(=O)=O)c2)cn1	776480714	XSIJRVSNYQIXNC-UHFFFAOYSA-N	320.374	1.942	50	20	DDGD	
CC(C)CSCCCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	1118125638	XADAYOCXYGCORI-NEPJUHHUSA-N	317.455	1.521	50	20	DDGD	
Cc1cccc(NNC(=O)NCCN2CCOC(C)(C)C2)n1	875198397	MRHUXXZMYWOQTQ-UHFFFAOYSA-N	307.398	1.127	50	20	DDGD	
CCC1(CC)[C@H](NC(=O)NNC(=O)C2CCC2)[C@@H](C)[C@H]1OC	770837782	VYLDARVMBJIXDD-RAIGVLPGSA-N	311.426	1.957	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NOC1CCCCC1	777720937	VDHVEQKBBGXWER-UHFFFAOYSA-N	309.341	1.963	50	20	DDGD	
C[C@H]1CCN1C(=O)NNC(=O)c1ccc(Br)s1	883419835	WKEMXWUMFCVSSW-LURJTMIESA-N	318.196	1.959	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@H](CO)c1ccc(F)cc1	778592914	QWWVNEAQPNMHLT-CQSZACIVSA-N	317.320	1.503	50	20	DDGD	
C=C/C=C\CCNC(=O)NNC(=O)[C@H]1COc2ccccc2O1	883825242	IZBDWOKHACVERN-VQTKUKTRSA-N	317.345	1.289	50	20	DDGD	
C=C(CBr)n1cc(CN2C[C@H](C)O[C@H](C)C2)nn1	887548841	KRCSCXJGLHVMID-PHIMTYICSA-N	315.215	1.753	50	20	DDGD	
O=C(NCc1cc(F)ccc1F)NNC(=O)C1CCOCC1	883334144	ODEHRXRXDJJJSO-UHFFFAOYSA-N	313.304	1.222	50	20	DDGD	
CCN(C)[C@@H](C(=O)NNC(=O)C1CCOCC1)c1ccccc1	883062534	HKSJQHNUUDYIBG-OAHLLOKOSA-N	319.405	1.253	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@H]2CC2(Cl)Cl)nc1	780962815	VEWCTUNKRZOSNB-SSDOTTSWSA-N	305.165	1.910	50	20	DDGD	
CN(C)C(=O)c1cccc(C(=O)NNc2ncncc2Cl)c1	781819989	MCMSQIRZGUIGLU-UHFFFAOYSA-N	319.752	1.589	50	20	DDGD	
CC(=O)NC[C@@H]1CN(CCO[Si](C)(C)C(C)(C)C)CCO1	788019648	MFFRTMGCXSPWKP-CQSZACIVSA-N	316.518	1.845	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNc2ncncc2Cl)c1	781804444	IMBQOZAGXMBLHS-UHFFFAOYSA-N	306.709	1.674	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@](C)(O)[C@H](C)c1ccccc1	887144457	NSKUUGKGMDNODM-CXAGYDPISA-N	302.374	1.492	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1	780782333	KLPRAXYJSKSKRJ-SUNKGSAMSA-N	319.361	1.345	50	20	DDGD	
CC[C@@H]1CCC[C@@H](C=NNC(=O)[C@H](C)NS(C)(=O)=O)C1	783845025	CLOFPLAONRVHTF-QJPTWQEYSA-N	303.428	1.243	50	20	DDGD	
C[C@@H](C(=O)NNc1ncncc1Cl)n1nnnc1C(C)(C)C	781813001	HGPNNQRJMATOTQ-ZETCQYMHSA-N	324.776	1.118	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)O[C@H]1CCN(C2CCOCC2)C1=O	786675415	IPIAHAUGTBTGPG-TZIYXEQSSA-N	304.346	1.169	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc(C)nc2O)cc1	783344646	FJDHKMYDAJNOMC-UHFFFAOYSA-N	300.318	1.486	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1cc(Br)ncc1F	785459638	CLDCDOMKZKERJU-UHFFFAOYSA-N	318.146	1.594	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCOc3ccc(F)cc32)CC1	790174976	UWPRSPYMCLFLKX-UHFFFAOYSA-N	306.341	1.269	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2ncccc2Cl)c1	794212669	SGPAWXAEQWLLAJ-UHFFFAOYSA-N	318.764	1.876	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](F)CC1CCCCC1	796204798	FAXWDSUYILMLCC-JQWIXIFHSA-N	316.373	1.784	50	20	DDGD	
C=C(CBr)CN[C@@]1(CC(=O)OC)CCCOC1	791494831	ZEXJEAPDGJDXEA-GFCCVEGCSA-N	306.200	1.639	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCCN1CCO[C@@H](C)C1	799565779	OYAZVYRQNHRAEG-AWEZNQCLSA-N	320.437	1.904	50	20	DDGD	
CS/C=C\C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	798308055	NYWBQPLIJZEJNF-SREVYHEPSA-N	307.375	1.266	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCC[C@H]2c2ccccn2)CC1	794940072	PYEJJZSMMIFPAW-ZDUSSCGKSA-N	301.394	1.662	50	20	DDGD	
O=C(NNC(=O)c1cc2nccnc2cc1F)c1ccccc1	791443181	QUBVALFARXBKFM-UHFFFAOYSA-N	310.288	1.844	50	20	DDGD	
CC(=NNC(=O)C(=O)NCc1ccc(Cl)cc1)c1ncc[nH]1	790170624	PTBHKPZNKCJPTF-UHFFFAOYSA-N	319.752	1.220	50	20	DDGD	
COC(=O)CCC(C)=NNC(=O)c1cncn1-c1ccccc1	1319505430	XIBOAJNAERPKSD-UHFFFAOYSA-N	314.345	1.931	50	20	DDGD	
Cc1ccc2c(c1)S[C@@H](C(=O)NNC(=O)c1cnn(C)c1)C2	1318657291	ZJUCZSKHBQJUII-CYBMUJFWSA-N	316.386	1.207	50	20	DDGD	
Cc1ccc(-n2ncc(NC(=O)NNC(=O)CCO)c2C)cc1	1327239231	DOTHNUFLJNPNMW-UHFFFAOYSA-N	317.349	1.024	50	20	DDGD	
CCC1=C(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CCCO1	1321828734	LMZXNSLUEAGUPI-UHFFFAOYSA-N	318.377	1.524	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1cccnc1)c1ccccc1Cl	1327835971	BVDUPWQHWNROCX-LBPRGKRZSA-N	305.721	1.230	50	20	DDGD	
CN(C)c1ncccc1C=NNC(=O)COc1ccc(F)cc1	1325249678	HGTFUNWBZPCJQD-UHFFFAOYSA-N	316.336	1.816	50	20	DDGD	
COCCCOCCC(=O)NNC(=O)c1ccccc1Cl	1328607682	NYOLRONCWOQIHV-UHFFFAOYSA-N	314.769	1.544	50	20	DDGD	
O=C(NNc1cccnn1)C(=O)Nc1cccc2ccncc12	1320600847	KYKKTIAFSTXBFL-UHFFFAOYSA-N	308.301	1.107	50	20	DDGD	
COC(=O)N(C)NC(=O)CN(CC(C)C)C(=O)OC(C)(C)C	1322627669	PFTMEXHRJJZZBS-UHFFFAOYSA-N	317.386	1.609	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1CC	1320395522	RLKXRVIZTIGPPP-UHFFFAOYSA-N	300.362	1.538	50	20	DDGD	
CC(C)Oc1cncc(C(=O)NNc2nncc(N)c2Cl)c1	1322679679	RHDXDOAYJCCHPF-UHFFFAOYSA-N	322.756	1.651	50	20	DDGD	
CO[C@H]1CCC[C@H](CC(=O)NNc2nncc(N)c2Cl)C1	1321075530	YVIQOJHIURRDNZ-IUCAKERBSA-N	313.789	1.751	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1(Oc2ccccc2)CC1	1328581637	RVRJYXUKRJFTJK-YPMHNXCESA-N	304.346	1.170	50	20	DDGD	
Cc1conc1NC(=O)NNC(=O)c1ccc2ccccc2n1	1337814081	DGFUACUTTFKVPR-UHFFFAOYSA-N	311.301	1.998	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2C[C@H]3CC[C@H]2[C@H](O)C3)c1	1333641870	DJVMFTQBCDRJIW-GARJFASQSA-N	309.391	1.256	50	20	DDGD	
O=C(NNC(=O)N1CCC([C@@H]2CCCCO2)CC1)c1cn[nH]c1	1331312405	IYBUMARRHXTKAD-ZDUSSCGKSA-N	321.381	1.045	50	20	DDGD	
Cc1cc(=NNC(=O)C(=O)Nc2ccc(C(C)C)nc2)cc[nH]1	1262722380	HXIKBNCJBQZNOY-UHFFFAOYSA-N	313.361	1.412	50	20	DDGD	
CN1C(=O)CCc2cc(C=NNC(=O)C3CCOCC3)ccc21	1349839816	RVVINPGDOPDGPW-UHFFFAOYSA-N	315.373	1.472	50	20	DDGD	
C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)NNC(=O)c1cn[nH]c1	1261791855	CVCLKFQBERRISO-XPUUQOCRSA-N	305.260	1.037	50	20	DDGD	
O=C(CCc1cccnc1)NNc1ccc(C(=O)O)c(F)c1	1608320192	JGVSQJNSTPUJAF-UHFFFAOYSA-N	303.293	1.995	50	20	DDGD	
Cn1c(C(=O)NNc2ccc(C(=O)O)c(F)c2)cnc1Cl	1600898467	GPNUKDQEZGHVQQ-UHFFFAOYSA-N	312.688	1.668	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(C(=O)O)c1)N1CCSCC1	1603173450	LUVHJGKJLQKWCN-JTQLQIEISA-N	309.391	1.265	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C	1607140635	WBEYLBVUXFOOSU-QSDJMHMYSA-N	322.361	1.896	50	20	DDGD	
N#Cc1cccc(OCC(=O)NNc2ccccc2C(=O)O)c1	1601121993	ZPEMKZQXLLZFJT-UHFFFAOYSA-N	311.297	1.779	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)N[C@@H]1CC[C@@H]2C[C@@H]2C1	1606858326	QNLUQGBJYMGAMB-FBIMIBRVSA-N	314.353	1.076	50	20	DDGD	
CC1(C)OC[C@H](CNC(=O)NNc2ccc(CC(=O)O)cc2)O1	1604560346	RNBJTKGNYOOFCU-LBPRGKRZSA-N	323.349	1.091	50	20	DDGD	
Cc1cccc(NNC(=O)Nc2cnn(C(C)(C)C(=O)O)c2)n1	1607858167	KDCQPVHYSDXFHA-UHFFFAOYSA-N	318.337	1.555	50	20	DDGD	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)CCCc1cccs1	1605023739	ZOFGOODMUZMIQP-OTYXRUKQSA-N	310.375	1.329	50	20	DDGD	
O=C(O)c1cccc(C(=O)NNCC(F)(F)C(F)(F)F)n1	1608929160	CCPVDKJYISHAIU-UHFFFAOYSA-N	313.182	1.212	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2cccc(F)c2C(=O)O)cc1	1610639726	XRKBRXBNAFWKAR-UHFFFAOYSA-N	317.276	1.380	50	20	DDGD	
CCn1nccc1[C@@H]1OCCC[C@@H]1C=NNC(=O)[C@H]1CCCO1	1552455567	ZJYSPRMEXCDHSO-BPLDGKMQSA-N	320.393	1.652	50	20	DDGD	
CCCN[C@H](C)C(=O)NNc1ncccc1Br	1577555134	VAIDZEYFWIMRFF-MRVPVSSYSA-N	301.188	1.675	50	20	DDGD	
CC[C@H](C)[C@H](N)C(=O)NNC(=O)Cc1cccc2ccccc12	1578230779	MDYAJADBXMWYJP-SJCJKPOMSA-N	313.401	1.903	50	20	DDGD	
O=C(NNc1cccc(Br)c1)[C@H]1C[C@@H](F)CN1	1574333683	HOVUHKJQUOMSGR-PSASIEDQSA-N	302.147	1.592	50	20	DDGD	
CO[C@H]1CN[C@@](C)(C(=O)NNc2ccc(Cl)cc2F)C1	1578949179	SHMNYHFWKUAZLH-NOZJJQNGSA-N	301.749	1.689	50	20	DDGD	
C[C@H]1OC(C)(C)N[C@H]1CNC(=O)NNc1cccc(F)c1F	1576907342	MAXCHARYQNIVDR-KCJUWKMLSA-N	314.336	1.704	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CC[C@@H]2CCCN2)ccc1F	1578860222	HMMLPPUJKLZBIN-JTQLQIEISA-N	309.341	1.588	50	20	DDGD	
CC(C)(C)C(=O)NN=CCCc1ccc(-c2nn[nH]n2)cc1	1589084556	SEYVCJQYMCFKMM-UHFFFAOYSA-N	300.366	1.947	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN1)c1cc2ccccc2nc1Cl	1580733284	QSXZPNFHTQGXPO-NSHDSACASA-N	304.737	1.011	50	20	DDGD	
CC(C)CCO[C@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1589604540	UFOVWGGMHQGBDA-SNVBAGLBSA-N	319.369	1.156	50	20	DDGD	
C[C@]1(CCC(=O)NNc2cccc(C(=O)O)c2)CCC(=O)N1	1594003353	UQMQJOFLTSEINO-OAHLLOKOSA-N	305.334	1.277	50	20	DDGD	
COC[C@@]1(C(=O)O)CCCN1C[C@H](CBr)C1CC1	1599193401	LDGCEUDFQHKAHG-WCQYABFASA-N	320.227	1.973	50	20	DDGD	
CC1(C)CC[C@H]1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	1590092090	DLGQOMHPWZHXDV-NSHDSACASA-N	314.349	1.064	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C\c1cnc2ccc(C(=O)O)cn12	1776129701	SMLNYRCSUUBQAR-GHXNOFRVSA-N	312.329	1.856	50	20	DDGD	
O=C(O)c1cc2cc(C=NNC(=O)[C@H]3CCOC3)ccc2o1	1776058287	UDDSLGSPLNVTPL-JTQLQIEISA-N	302.286	1.618	50	20	DDGD	
O=C(COC(=O)C1CCC1)NNC(=O)c1ccc(Cl)cc1	5507413	FWCPCPNJOCTGRF-UHFFFAOYSA-N	310.737	1.444	50	20	DDGD	
CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCBr)C2	1795759387	XWFSIECVBJHLPX-JGPRNRPPSA-N	303.200	1.430	50	20	DDGD	
Cc1cc(C(=O)NNc2cnccn2)nn1-c1ccc(F)cc1	152726979	SBJPLTJGAYSUQH-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
CSCCCNC(=O)NNC(=O)Cc1c[nH]c2ccccc12	153509422	BMRDHNUBNWUGHL-UHFFFAOYSA-N	320.418	1.794	50	20	DDGD	
O=S(=O)(N[C@@H](CO)CC1CC1)c1ccc(CCl)cc1	914290445	PEXMWHSGBQXULD-GFCCVEGCSA-N	303.811	1.865	50	20	DDGD	
CC(C)CO[C@H]1CCN(S(=O)(=O)CBr)C1	782472895	XBNNVDWFKUZNGC-VIFPVBQESA-N	300.218	1.416	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)COc2ccccc2C)cc1	584945	XINDSYGDNKLQIT-UHFFFAOYSA-N	314.341	1.844	50	20	DDGD	
COCCOc1cccc(C(=O)NNc2nc(C)cc(C)n2)c1	53273744	SJDCGHDSARPHPJ-UHFFFAOYSA-N	316.361	1.876	50	20	DDGD	
CCCCN1CCCC[C@@H]1CNC(=O)NNC(=O)c1ccc[nH]1	108931092	NZCLVHZHZVRPLL-CYBMUJFWSA-N	321.425	1.613	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2(C#N)CCCCC2)nc1	179795148	JJLMWIQVEXDIJZ-UHFFFAOYSA-N	302.334	1.785	50	20	DDGD	
COc1c(C)cnc(CNC(=O)NNc2ncccn2)c1C	51755841	MFKOLMHOBVAQJM-UHFFFAOYSA-N	302.338	1.323	50	20	DDGD	
Cc1ccc([C@](O)(CC(=O)NNC(=O)N(C)C)C(F)(F)F)o1	179887416	DXBYXLSUGAJHFR-LLVKDONJSA-N	323.271	1.030	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	109860470	GFBJZIVBDPSMDG-UHFFFAOYSA-N	310.317	1.183	50	20	DDGD	
O=C(CC[C@@H]1CCCCO1)NNC(=O)COc1ccc(F)cc1	110602651	OTTUSTUCJHJIBM-ZDUSSCGKSA-N	324.352	1.701	50	20	DDGD	
O=C(CSCc1ccncc1)NNC(=O)Cc1cccnc1	103456713	BJOOEPBLYZZMTI-UHFFFAOYSA-N	316.386	1.100	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1cc(C(F)(F)F)ccc1F	103057829	FXOOZQQMFJQPEP-UHFFFAOYSA-N	316.232	1.394	50	20	DDGD	
Cc1c(CNC(=O)NNc2cc(F)c(F)c(F)c2)cnn1C	179339640	PBHPRMHPQOCSOY-UHFFFAOYSA-N	313.283	1.972	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCCC(C)(C)C1	178951076	RYVDSDJEVIQQLJ-LLVKDONJSA-N	311.426	1.655	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)c2cccc3ncccc23)cn1	114331550	SRXIXZNHEFCRKP-UHFFFAOYSA-N	309.329	1.526	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)c1cnn(C)c1)Cc1cccs1	173641099	ABHVOERPKKQHQW-JTQLQIEISA-N	321.406	1.304	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cc2c(C)noc2C)nc1	179781071	MQJOGRKJQNKCNF-UHFFFAOYSA-N	304.306	1.159	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cnn(C(C)(C)C)c2)n1	174495131	GTZDXCQCZYJARU-UHFFFAOYSA-N	304.354	1.502	50	20	DDGD	
COCC[C@@](C)(O)CNC(=O)c1c(C)nn(CCCl)c1C	173468562	PARQRFAMPZRWPN-CQSZACIVSA-N	317.817	1.256	50	20	DDGD	
CCS(=O)(=O)CCN(C)C[C@H](CBr)C1CC1	859209899	OKQHHXDHYCEETO-NSHDSACASA-N	312.273	1.774	50	20	DDGD	
Cc1ccc(NNC(=O)NCCc2ccc(Cl)nc2)nn1	123376376	VRWZMEVTANEYEO-UHFFFAOYSA-N	306.757	1.702	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccnc(F)c2)c(C)c1	76960414	SOPAOQBBSPCNCJ-UHFFFAOYSA-N	316.336	1.711	50	20	DDGD	
C[C@H]1CCSCCN1C(=O)NNC(=O)Cc1cccnc1	189866682	NFHILEPWSVQXSB-NSHDSACASA-N	308.407	1.192	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1ccc(C#N)cc1	73314709	FJCWOJYKWLVQFN-UHFFFAOYSA-N	324.340	1.440	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(C(C)(C)C)nn2C)nc(C)n1	128856721	OTWMZTCWPOHFCC-UHFFFAOYSA-N	302.382	1.881	50	20	DDGD	
C[C@@H]1CCC[C@H](NC(=O)NNC(=O)Cc2cccnc2)CC1	187976518	CCKKZCSMQGMOIK-OCCSQVGLSA-N	304.394	1.923	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	124930488	MPZRUACTOMJRHO-ZDUSSCGKSA-N	305.403	1.999	50	20	DDGD	
Cc1cc(C)c(N2C[C@H](C(=O)NN(C)C(N)=O)CC2=O)c(C)c1	182657944	UHDVXGQRTFWSEC-GFCCVEGCSA-N	318.377	1.006	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)c1cc(Cl)c[nH]1	78557539	AULOQCNGABNEQQ-UHFFFAOYSA-N	317.736	1.320	50	20	DDGD	
O=C(C[C@@H]1OCCc2ccccc21)NNc1ncc(F)cn1	123383588	UNFQTGDBAWTMCQ-ZDUSSCGKSA-N	302.309	1.763	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2cncc(F)c2)c1	129232978	TWKWKZIJEHHKEP-UHFFFAOYSA-N	318.308	1.102	50	20	DDGD	
C[C@@H](CCNC(=O)NNC(=O)c1ccccc1)N1CCCCC1	182705922	NUEIKFWLRGFOCO-AWEZNQCLSA-N	318.421	1.895	50	20	DDGD	
C=C[C@@](C)(CCOC)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	187739361	BBOJYYRNSZNFOC-HNNXBMFYSA-N	321.333	1.585	50	20	DDGD	
CC(C)C[C@H](C)CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	76710563	OCZCYJLZDHTZIF-STQMWFEESA-N	304.456	1.551	50	20	DDGD	
COc1cccc(NNC(=O)CNc2ccccc2[N+](=O)[O-])n1	183036862	QUQBJASLHQSEIL-UHFFFAOYSA-N	317.305	1.554	50	20	DDGD	
C=C[C@H](C)NC(=O)NNC(=O)c1cc(Br)c[nH]1	136900717	VTHAPWDEYWKKKY-LURJTMIESA-N	301.144	1.296	50	20	DDGD	
CCc1cc(NC(=O)NNC(=O)c2ccc(C)s2)n(C)n1	185513293	PSDMHEAPKFPJBU-UHFFFAOYSA-N	307.379	1.819	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCCn2ccnc2)cc1	42900631	ARZJBMQSRWZCFS-UHFFFAOYSA-N	315.377	1.480	50	20	DDGD	
Cc1ccnc2nc(C(=O)NNc3ccccc3[N+](=O)[O-])nn12	42065002	JAHBUXDUTJTADU-UHFFFAOYSA-N	313.277	1.098	50	20	DDGD	
CC(=O)N[C@H](CC(=O)NNc1ncccn1)c1ccc(C)cc1	44716252	MKJMRVPFNWGBJJ-CQSZACIVSA-N	313.361	1.496	50	20	DDGD	
CCOC(=O)CN(CCI)CC(C)C	190837805	XYPLUAHUSCEQMA-UHFFFAOYSA-N	313.179	1.943	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@@H](C(=O)OC)c1ccc(F)cc1	192734362	LHZWBPHUOWOOGP-IEZBTEQYSA-N	320.320	1.642	50	20	DDGD	
CN(C)[C@@H](C(=O)NNC(=O)NCc1ccco1)c1ccccc1	195489744	WPHHHFDWKRYSHP-CQSZACIVSA-N	316.361	1.413	50	20	DDGD	
COc1ccc(OC)c([C@H]2C[C@H]2C(=O)NNc2ncccn2)c1	191721336	ULSDQLKFZGKIGO-DGCLKSJQSA-N	314.345	1.741	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)Nc1ccccn1	48348739	LHUFRXWUSSMSKJ-JTQLQIEISA-N	318.308	1.841	50	20	DDGD	
COc1cccc(CC(=O)NNC(=S)N[C@H](C)C2CC2)c1	83676467	FVQYAVQAPMBQJF-SNVBAGLBSA-N	307.419	1.532	50	20	DDGD	
Cc1nc(C(=O)NNc2cc(C#N)cc(Cl)n2)ccc1C#N	93546772	JRIHZZFWJSVOTF-UHFFFAOYSA-N	312.720	1.939	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@H]2COc3ccccc3O2)cc1	256017444	MTFRPHWUSIGJGN-MRXNPFEDSA-N	312.325	1.985	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)CNc2ccc(OC)cc2)O1	268280311	VPXCIMWEUBWZOW-OCCSQVGLSA-N	321.377	1.212	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)NNc2cc(F)c(F)cc2F)C1	369978262	WNCQAOXGRXAGRH-AWEZNQCLSA-N	315.295	1.806	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(C)c(F)c1	276579560	OJRVVEXVIYHEQX-UHFFFAOYSA-N	312.341	1.684	50	20	DDGD	
COCCc1ccc(S(=O)(=O)N2CC=C(C#N)CC2)cc1	273719566	RLFGQUBEKRGXPZ-UHFFFAOYSA-N	306.387	1.720	50	20	DDGD	
O=C(CN1CCC2(CCC2)CC1)NNC(=O)c1ccccc1	367554452	SVEDXAOJSVBKRU-UHFFFAOYSA-N	301.390	1.714	50	20	DDGD	
CC(C)[C@@]1(C)C[C@H]1C(=O)NNC(=O)COc1ccccc1O	274677694	LPSMXIYIKWJRNA-MEDUHNTESA-N	306.362	1.601	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CC2CC2)cc1Cl	274069157	NMVWALQQUVSELJ-UHFFFAOYSA-N	309.753	1.534	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1)C1CC1	279883409	IHQDOESNAKPLSY-RNCFNFMXSA-N	310.325	1.165	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CNC(=O)CC(C)(C)C)c1	272797080	IMXQPQZDUGDJTF-UHFFFAOYSA-N	321.377	1.469	50	20	DDGD	
C[C@@H]1Oc2ccccc2[C@H]1NS(=O)(=O)CBr	377382828	MOJMJBYAIKBCRD-XVKPBYJWSA-N	306.181	1.780	50	20	DDGD	
COCCOCCC(=O)NNC(=O)Nc1ccc(Cl)cc1	283663027	FILGVYITGYEYAW-UHFFFAOYSA-N	315.757	1.546	50	20	DDGD	
CSCCONC(=O)NNc1cccc(S(C)(=O)=O)c1	280578597	RVGAGBOJVITIAG-UHFFFAOYSA-N	319.408	1.011	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@H]2CC(=O)N(C)C2)c(Cl)c1	283690036	IQFOSGFOTUWMEY-VIFPVBQESA-N	324.768	1.279	50	20	DDGD	
O=C1CCCC[C@H](C(=O)NNC(=O)Nc2cccc(Cl)c2)N1	283770953	PESGMQWRTYBECW-LLVKDONJSA-N	324.768	1.552	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cc3c([nH]2)CCCC3)n1	294320605	JYSJPESEPWHKPM-UHFFFAOYSA-N	315.377	1.168	50	20	DDGD	
C[C@@H](Oc1ccccc1NC(=O)NNC(=O)CO)C(F)(F)F	808869591	LFHBZFYDCLRIHD-SSDOTTSWSA-N	321.255	1.161	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNc1ccc(C#N)c(Cl)c1	807240523	NVOIJANFSDZWFI-UHFFFAOYSA-N	302.721	1.876	50	20	DDGD	
COCCOCc1ccc(/C=C(/C#N)S(=O)(=O)N(C)C)cc1	809158048	VIPODRYTDFJPFD-GDNBJRDFSA-N	324.402	1.605	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1	294185448	OMIXDVOTVRBVCP-HNNXBMFYSA-N	318.373	1.806	50	20	DDGD	
COCC1(CNC(=O)NNc2cccc(F)n2)CCOCC1	292420997	FNZODPBTKPAOGU-UHFFFAOYSA-N	312.345	1.290	50	20	DDGD	
CC(=O)C1(C(=O)NNC(=O)CNc2ccc(C)cc2C)CC1	295461111	QWLYTTFVEUPZKA-UHFFFAOYSA-N	303.362	1.232	50	20	DDGD	
CC(C)C[C@@H](C(=O)NNc1ncncc1F)N1CCCCC1=O	293971754	KJHLDRGQEFWRGD-LBPRGKRZSA-N	323.372	1.486	50	20	DDGD	
CNC(=O)CCCCC(=O)NN=c1cc[nH]c2ccccc12	801615500	CAGMOFHTNKKFGE-UHFFFAOYSA-N	300.362	1.406	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCOC(=O)C1CC1	808015557	SATVZCGPXHCVRO-UHFFFAOYSA-N	313.785	1.422	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cc(C(=O)O)c(C)[nH]1	800809559	BXZHUPHFDUJPRG-UHFFFAOYSA-N	307.335	1.132	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNC(=O)C(C)(C)c1ccccc1	294611627	NAOQAZQQFQIYRO-GFCCVEGCSA-N	310.419	1.226	50	20	DDGD	
CC(=O)N1CCC[C@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	295733578	RULLFACQADSFEB-JTQLQIEISA-N	316.283	1.554	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cnc2[nH]c(O)nc2c1	809730692	ZONJYIPHGURRGW-UHFFFAOYSA-N	314.261	1.329	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53	802026448	RJEFWADQLYTBNC-HAJSXZOYSA-N	324.384	1.050	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)Cc2csc(N3CCOCC3)n2)C1	814770219	UZCBXYYCRXOPBE-LLVKDONJSA-N	322.434	1.814	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1cc(Cl)cc2c1OCC2	814956702	AXPNWUUBFSWEJN-UHFFFAOYSA-N	304.737	1.691	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)Sc1nc2c([nH]1)CCC2	813582348	JWUYIWHGAOGMFF-VIFPVBQESA-N	310.423	1.573	50	20	DDGD	
CC(=O)N[C@H]1CCN(/C(=C\C#N)c2cccc([N+](=O)[O-])c2)C1	817281985	AARILBRPUZKOMS-WTYKIMEZSA-N	300.318	1.670	50	20	DDGD	
CC[C@H]1CN(CC(=O)NNC(=O)c2ccccc2)C[C@@H](CC)O1	817280504	IEROMKUNWMNPMU-GASCZTMLSA-N	319.405	1.337	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(Cc1ccccc1Cl)OC	810141008	HPQMBCXPDOELNC-SNVBAGLBSA-N	313.785	1.649	50	20	DDGD	
C[C@H](C(=O)NNc1ncncc1F)c1cccc([N+](=O)[O-])c1	817078177	UMTMWIBNHZZJJS-QMMMGPOBSA-N	305.269	1.771	50	20	DDGD	
O=C(NNc1ncncc1F)[C@@H]1CC(c2cccc(F)c2)=NO1	817081446	BNGPYURBKWOOPO-LBPRGKRZSA-N	319.271	1.391	50	20	DDGD	
CC(Cn1cccn1)=NNC(=O)c1cc([N+](=O)[O-])ccc1O	814856788	AJQTWIDWVYABLU-UHFFFAOYSA-N	303.278	1.303	50	20	DDGD	
COCC(=NNC(=O)C(=O)NC1CC1)c1cccc(Cl)c1	814778238	WNVOFWFSBVXCSI-UHFFFAOYSA-N	309.753	1.085	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)C2CCCC2)[C@@H]1[C@@H]1CCCO1	811909918	OFTVRQKVPDLNHV-QWHCGFSZSA-N	309.410	1.807	50	20	DDGD	
Cc1nn(C)c2cc(NC(=O)NNC(=O)c3ccccn3)ccc12	812991411	HZIJYJJQHUDRSG-UHFFFAOYSA-N	324.344	1.743	50	20	DDGD	
O=C(O)CSCC(=O)NNc1ccc(-c2ccccc2)nn1	819539596	ATNZXMNEWHWNRY-UHFFFAOYSA-N	318.358	1.405	50	20	DDGD	
CC(C)[C@H]1CC(=NNC(=O)[C@@H]2CCS(=O)(=O)C2)CS1	814782176	SAWDMIHQCOLNLF-MWLCHTKSSA-N	304.437	1.055	50	20	DDGD	
O=C(NN=C1CC[C@@H]2CNc3cccc1c32)C(=O)N1CCCC1	814824561	AQPPOPBBPGICGV-LLVKDONJSA-N	312.373	1.432	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)CNc2ccccc2)on1	814712048	GYMRGUFIRLUDOS-UHFFFAOYSA-N	302.290	1.023	50	20	DDGD	
CN(C)C1(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)CC1	827467206	SAOIIQIAUZXVOX-UHFFFAOYSA-N	321.768	1.927	50	20	DDGD	
COC(=O)N1CCC[C@H](NC(=O)NNc2ccc(F)cc2)C1	726717245	OXONXJSWEBCUJY-LBPRGKRZSA-N	310.329	1.683	50	20	DDGD	
CC(=O)N[C@H](CCC(C)C)C(=O)NNC(=O)NC1CCCC1	824343278	XBLCVEINWRWDMF-CYBMUJFWSA-N	312.414	1.200	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NN=Cc1cscn1	494125293	UAMVMVSMSQDJEE-UHFFFAOYSA-N	312.395	1.898	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccccc1OC(C)(C)C	495327508	ZHQDDUZDPOGZTK-UHFFFAOYSA-N	323.349	1.580	50	20	DDGD	
Cc1ncsc1/C=C\C(=O)NNC(=O)c1cccc(C#N)c1	492652108	PPSGUUJJJXVWOW-WAYWQWQTSA-N	312.354	1.798	50	20	DDGD	
CCNC(=O)NNS(=O)(=O)/C=C\c1ccccc1Cl	727362466	RXZWCZQNHZZGGY-FPLPWBNLSA-N	303.771	1.464	50	20	DDGD	
C[C@@H]1[C@@H](C(=O)NNc2ccncn2)CCN1C(=O)OC(C)(C)C	495869413	OLQBJUGKDYSWFH-MNOVXSKESA-N	321.381	1.565	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)CC3(O)CCC3)cc2C1	822213382	ISDZCNXRTJOSEJ-JTQLQIEISA-N	322.430	1.939	50	20	DDGD	
O=C(CCCOc1ccc(Cl)cc1)N1CC[C@@H](B(O)O)C1	585076984	PDIBYQWXJDVWDL-LLVKDONJSA-N	311.574	1.574	50	20	DDGD	
OB(O)c1ccc(CN[C@@H](c2cc(F)ccc2F)C2CC2)cc1	585027367	REWOZKWAZSVOPP-QGZVFWFLSA-N	317.144	1.886	50	20	DDGD	
CC(C)N(CC(=O)O)S(=O)(=O)c1ccc(CCCl)cc1	820019832	KYAXAIXFEIIQSH-UHFFFAOYSA-N	319.810	1.952	50	20	DDGD	
Cc1ccccc1[C@H]1CN(CC(=O)NNC(=O)C(C)C)CCO1	827887377	JPKNYJVANOZOSD-OAHLLOKOSA-N	319.405	1.172	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cccc(OCC(C)C)c1	495326963	ULLFURFPFDCAHA-UHFFFAOYSA-N	323.349	1.437	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCO[C@@H](c2ccccc2F)C1	827654947	GZXRVBPNMJGREF-CQSZACIVSA-N	323.368	1.002	50	20	DDGD	
CN(C)C[C@H](NCc1ccc(B(O)O)o1)c1ccc(Cl)cc1	585042886	WHEFVSPKEMZSGN-AWEZNQCLSA-N	322.601	1.005	50	20	DDGD	
CC(C)c1ccccc1NC(=S)NNC(=O)[C@H]1C[C@@H](O)C1	822560984	SUGFRLODDDJYHK-PHIMTYICSA-N	307.419	1.899	50	20	DDGD	
C[C@@H]1CCC[C@@H](CNC(=O)c2cc(B(O)O)ccc2F)[C@@H]1C	584981929	BPNIPJKTGLQUIB-UTUOFQBUSA-N	307.174	1.308	50	20	DDGD	
CCC(CC)(NC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)OC	491101155	CYHCWNAHXADHJX-KPKJPENVSA-N	304.350	1.175	50	20	DDGD	
O=C(CN1CCc2ccccc21)NNc1ccc(Cl)nn1	735687111	QORFOMAMXOQLRA-UHFFFAOYSA-N	303.753	1.636	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H](O)C(C)(C)C)c1C	735839104	YPUBDSVJQQXISM-OCCSQVGLSA-N	322.405	1.625	50	20	DDGD	
CC[C@H](OC)C(=O)NNC(=S)Nc1ccc(OC)c(F)c1	822645168	RIFAAFSDNICVKL-JTQLQIEISA-N	315.370	1.577	50	20	DDGD	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NN(C)[C@H](C)CO	823987654	KPJWEFPAPSUXIY-NXEZZACHSA-N	313.379	1.419	50	20	DDGD	
Cn1ccc(CC(=O)NN=c2sc3ccccc3n2C)n1	588421702	ZXVPTXLTVBOMEW-UHFFFAOYSA-N	301.375	1.148	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(-n2nccc2C)cc1	731852147	FWBGNIXALGOTDF-UHFFFAOYSA-N	324.344	1.287	50	20	DDGD	
CCOCC(=O)NN=Cc1csc(N(C(C)=O)C2CC2)n1	734299820	VPJBOHMNZRKQDY-UHFFFAOYSA-N	310.379	1.145	50	20	DDGD	
CC(C)CCOc1ccc(C(=O)NNC(=O)c2cnc[nH]2)cc1	736543408	JVISXCWRILEGGZ-UHFFFAOYSA-N	316.361	1.909	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)NNc1ncccc1C)C2	496432061	QHHQUHJWSZGGMO-XQQFMLRXSA-N	316.361	1.476	50	20	DDGD	
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)C(C)(C)C	495858386	VQLYLNUTIDSUTM-SNVBAGLBSA-N	315.414	1.729	50	20	DDGD	
CCN(CC)CCC[C@H](C)NC(=O)/C(C#N)=C\c1cnn(C)c1	491175185	KHARMQZPVXPSRP-FBKCMUNRSA-N	317.437	1.954	50	20	DDGD	
C=CC(=O)N(CC)CC(=O)NN(CCC)C(=O)OC(C)(C)C	908160358	RONSTZNCGLCTIU-UHFFFAOYSA-N	313.398	1.699	50	20	DDGD	
O=C(/C=C\c1ccc(O)cc1)NN=c1nc(-c2cccnc2)[nH]o1	492613395	MXQHADRTWXKYMD-YVMONPNESA-N	323.312	1.416	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)c1ccc(Cl)cc1OC	739687887	IMXVCLDAYITMPL-UHFFFAOYSA-N	323.736	1.974	50	20	DDGD	
CO[C@@H]1COC[C@@H]1NC(=O)NNc1ccc(OC(F)F)cc1	838777766	GMVPATYHVOLACF-WDEREUQCSA-N	317.292	1.328	50	20	DDGD	
CO[C@H](C)CCNC(=O)NNc1cccc(Br)n1	838184383	AOTZHIHQQHFOAE-MRVPVSSYSA-N	317.187	1.895	50	20	DDGD	
O=C1CC(C(=O)NN=C(c2ccccc2)c2ccccc2)=NN1	731893883	FAXHYLHKZPFTNX-UHFFFAOYSA-N	306.325	1.431	50	20	DDGD	
OB(O)c1ccc(CNC[C@H]2CCCCC(F)(F)C2)c(F)c1	585042959	HZHIOEDMJRDIKF-NSHDSACASA-N	315.144	1.811	50	20	DDGD	
CC(C)(C)OC(=O)C1CN(C(=O)[C@]2(C)C[C@@H]2Br)C1	908677989	MKHBXRSAALFOEH-TVQRCGJNSA-N	318.211	1.960	50	20	DDGD	
Cn1nnc2cc(C=NNC(=O)COCc3ccccc3)ccc21	737432965	BDLCGJIADXRCSX-UHFFFAOYSA-N	323.356	1.635	50	20	DDGD	
CC(=O)c1cccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	831057163	DMKOBXIOUVXYMP-GXFFZTMASA-N	305.334	1.467	50	20	DDGD	
C=C(CBr)CN1CCC[C@H](NC(=O)N(C)C)C1	832550103	JNLONBXBNHAEPX-NSHDSACASA-N	304.232	1.673	50	20	DDGD	
O=C(NCCC[C@@H]1CCOC1)NNc1nc2ccccn2n1	838715219	RIFWTBQPJRPKDM-LLVKDONJSA-N	304.354	1.172	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C(C)(C)Nc1ccccc1	906611253	YNLBZGUTGJLLEU-UHFFFAOYSA-N	301.350	1.370	50	20	DDGD	
OB(O)c1ccc(CN[C@H](CCc2ccccc2)C(F)F)o1	585049220	LWBQRYRXUAQXCY-CYBMUJFWSA-N	309.121	1.316	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)[C@@H]2CCCCO2)c1C	833246919	UQNPROAUNLMHDX-ZDUSSCGKSA-N	308.382	1.322	50	20	DDGD	
CCC[C@H](NC(=O)Cc1ccccc1)C(=O)NNC(=O)C(C)C	732653822	KGPZHMWBNNGVPE-AWEZNQCLSA-N	319.405	1.317	50	20	DDGD	
COCC1(C(=O)NNC(=O)CNc2ccccc2)CCCC1	839479764	WAVMZZWNJJXYBO-UHFFFAOYSA-N	305.378	1.453	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C(F)(F)C(F)F)ccc1F	837038635	UWYNNIUUMLRNJZ-UHFFFAOYSA-N	312.194	1.956	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc(C2CC2)cc1	901964549	NNFKHUQWAYZTKD-UHFFFAOYSA-N	306.387	1.677	50	20	DDGD	
Cc1cc(NNC(=O)c2cccc3c2O[C@H](C)C(=O)N3)ncn1	734254770	YGVDBZNDRMRXJO-SECBINFHSA-N	313.317	1.261	50	20	DDGD	
CN1CC[C@H](C(=O)NNC(=O)[C@H]2CCCCO2)c2ccccc21	833246213	FZHVVINFTILANJ-DZGCQCFKSA-N	317.389	1.327	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2nc(C)cc(C)n2)cc1	735031403	DGWWDPLIZGLMAH-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
Cc1cccc(OCCCCC(=O)N2CC[C@@H](B(O)O)C2)c1	585074968	DWONKYHPCMGJAW-CQSZACIVSA-N	305.183	1.619	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21)c1cccc2ncccc12	906603453	ZFMFGDDYPGTOAM-KCPJHIHWSA-N	309.325	1.221	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2CCC[C@H]2Cc2ccccn2)c1	585047549	RGPUKUNLDCUQKS-MAUKXSAKSA-N	310.206	1.262	50	20	DDGD	
COC[C@H](OC)C(=O)NNc1ccc(Br)c(F)c1	832357340	PMTJZKDOIYPRIB-JTQLQIEISA-N	321.146	1.693	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1ccc(F)cc1C	731313850	NUHIKSCJCPUNSU-UHFFFAOYSA-N	317.320	1.997	50	20	DDGD	
CC1CCN(C[C@H](C)C(=O)NN=C2CCNC(=O)CC2)CC1	834932641	JJXARSMEGZGRDN-ZDUSSCGKSA-N	308.426	1.127	50	20	DDGD	
O=C(CC1CCCCC1)NCCNC(=O)NNC(=O)C1CCC1	732458957	SDYWVKRSLFSDSQ-UHFFFAOYSA-N	324.425	1.204	50	20	DDGD	
C/C(C=NNC(=O)[C@H]1CCS(=O)(=O)C1)=C/c1ccccc1	730575952	JUVMRRBLMSRPKI-GSGMUKLISA-N	306.387	1.627	50	20	DDGD	
C[C@@H]1CCCC[C@H]1N1CCC(=NNC(=O)NCC(=O)O)CC1	833611418	JFUMANVRXSGTKH-DGCLKSJQSA-N	310.398	1.401	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)Cc2cc[nH]n2)c1C	743297460	RHBFOMQTSLXUBD-UHFFFAOYSA-N	303.391	1.587	50	20	DDGD	
CCc1csc([C@@H](C)NC(=O)c2cc(B(O)O)ccc2F)n1	910713928	CSONRDIETUFUIC-MRVPVSSYSA-N	322.170	1.015	50	20	DDGD	
COc1ccc(Br)c(NNC(=O)C2(C)COC2)c1	839908336	FMAYYQRTQZYDRU-UHFFFAOYSA-N	315.167	1.937	50	20	DDGD	
CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NN(C)C[C@H](C)O	910172984	IIGFIJXBSBCNOT-NWDGAFQWSA-N	317.430	1.270	50	20	DDGD	
CC(C)(CO)C(=O)NNC(=O)c1cccc(OC(F)F)c1	847437203	INRCKZAUSLODAU-UHFFFAOYSA-N	302.277	1.068	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)OCC(F)(F)F)C[C@@H]1Br	912596861	JDLKNZDBWPFGPE-FFWSUHOLSA-N	319.077	1.480	50	20	DDGD	
CCC1CCN(S(=O)(=O)NNC(=O)C2CCCC2)CC1	849305228	ZIFXEWMVWPSXLO-UHFFFAOYSA-N	303.428	1.164	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@H]2CCC[C@@H]2C2CC2)n1	840394851	QJIBMHORULKCQW-VXGBXAGGSA-N	305.382	1.938	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC(N2CCCCC2)CC1	744391215	UFELGEOWCRCDNH-UHFFFAOYSA-N	324.469	1.130	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NNC(=O)NC(C)C)c(C)c1	749155583	WFYQNNQLUPAPLC-UHFFFAOYSA-N	315.395	1.295	50	20	DDGD	
C#CCNC(=O)COC(=O)/C(C#N)=C\c1ccc(OCC)cc1	748809239	QBMUKIZTOUKRII-UVTDQMKNSA-N	312.325	1.285	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H]1CCc2cncn2C1	844136205	AITUBSXZASJPRV-LLVKDONJSA-N	314.345	1.375	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)N[C@@H](C)CCCN)c1	841999290	GHARJLPYWOBIRA-ZDUSSCGKSA-N	322.409	1.140	50	20	DDGD	
COC(=O)[C@@]1(C)CN(C(=O)[C@@]2(C)C[C@H]2Br)C[C@@H]1C	913429897	FKLSOCPZIPVUPX-FQPOAREZSA-N	318.211	1.818	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)[C@H]1CCc2ncncc2C1	844133747	BVYSJLJIFHKNCS-VIFPVBQESA-N	303.753	1.773	50	20	DDGD	
COc1nc(N(C)C)sc1C=NNC(=O)[C@H]1CCO[C@H]1C	842558710	SMLTXNSTXZUOBT-IUCAKERBSA-N	312.395	1.093	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	846044101	HHPMSHHNEMRLHH-UHFFFAOYSA-N	312.301	1.339	50	20	DDGD	
CC1(C)[C@H](NC(=O)NNC(=O)CC(F)(F)F)[C@@H]2CCCO[C@H]21	745860775	ZZHLMSHGCYWQLP-FXBDTBDDSA-N	323.315	1.473	50	20	DDGD	
CC(C)(C)C[C@@H]1C[C@H]1NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	845382706	GSXLXTTYEVGRMG-WDMOLILDSA-N	317.455	1.192	50	20	DDGD	
C[C@@H]1C[C@H](CNC(=O)NNc2ncc(F)cc2F)[C@@H](C)O1	840430232	LWMGHADFJWVRLL-IWSPIJDZSA-N	300.309	1.799	50	20	DDGD	
CCC(CC)(CO)C(=O)NNC(=O)COc1ccc(F)cc1	847290324	XFPMCEFGCICGEN-UHFFFAOYSA-N	312.341	1.151	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(O)c1	843979013	LZBBALXSSDNEBS-CMPLNLGQSA-N	306.362	1.702	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc(C(F)(F)F)n1	843663021	VXROQCOICJWYKW-YUMQZZPRSA-N	317.267	1.286	50	20	DDGD	
C[C@H](Oc1ccc(C=NNC(=O)[C@@H]2CCO[C@H]2C)cc1)C(=O)O	842560760	NHZGUZPJQZZVNA-COPLHBTASA-N	320.345	1.414	50	20	DDGD	
CN(CC(=O)NNc1ncccn1)c1nc2ccccc2s1	919745818	JCTXIGQOXFGKDW-UHFFFAOYSA-N	314.374	1.666	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCc1nnc(-c2ccccc2)o1	910177708	OPWJEURWISIXOG-LLVKDONJSA-N	304.350	1.013	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(-c2ccccc2)nc1O	746001678	RYNVZOZGFMHGIO-UHFFFAOYSA-N	300.318	1.370	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1csc(-c2ncccc2F)n1	910155574	NBOKLOIYCVGKLS-QMMMGPOBSA-N	310.354	1.302	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1	745919441	GQUWQAAFWFSNLS-VIFPVBQESA-N	311.386	1.805	50	20	DDGD	
CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)c1c[nH]nc1C	749383469	YUWYCILQFMOECJ-AWEZNQCLSA-N	316.361	1.645	50	20	DDGD	
COc1csc(C(=O)NNC(=O)COc2ccccc2O)c1	746850485	ZFKYUFYOSYIWQC-UHFFFAOYSA-N	322.342	1.302	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=C[C@@H](OC)[C@H]1CCOC1	841606147	AILKUPFASDAXMP-GOEBONIOSA-N	320.389	1.781	50	20	DDGD	
O=C(O)NNC(=O)Nc1ccc(OCc2cccnc2)cc1	740004050	ZEFZRNXLPLZCQK-UHFFFAOYSA-N	302.290	1.965	50	20	DDGD	
COC(=O)C12CC(C(=O)NNc3cccc([N+](=O)[O-])c3C)(C1)C2	843832692	FUQJZQSPSSZVKW-UHFFFAOYSA-N	319.317	1.690	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNC(=O)c1c[nH]c2ccccc12	841376928	ATLLXKQUBQNVPO-CQSZACIVSA-N	303.362	1.990	50	20	DDGD	
N[C@H](CNC(=O)NNc1ccc(OC(F)F)cc1)C1CC1	841966763	YXGXZRDFNWRUON-LLVKDONJSA-N	300.309	1.651	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@@]1(c2ccccc2)CCCO1	929434976	KFAQRGLPAQVDNJ-KRWDZBQOSA-N	313.357	1.492	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1c[nH]c2ccccc12)[C@@H]1CCOC1	841603742	FAAIYAKFNMKJEL-ABAIWWIYSA-N	301.346	1.935	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)C(=O)NNc1nccc2sccc12	746885875	KUQFLWQILDSAAG-QMMMGPOBSA-N	313.404	1.420	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)c1ccccn1)C(=O)OC(C)(C)C	843749861	LYYXBEBTADIVLO-LBPRGKRZSA-N	321.377	1.457	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1ccc(C(F)F)cc1F	847402474	FZKNJDIABRMFEL-UHFFFAOYSA-N	317.267	1.450	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCC[C@H](O)c1ccccc1	855007665	XLXHPSRXGLVPSZ-QEJZJMRPSA-N	320.389	1.463	50	20	DDGD	
O=C(NC[C@@H]1CC1(Cl)Cl)NNc1ncc(Cl)cn1	856831899	LOHXCQQWZDBSKB-YFKPBYRVSA-N	310.572	1.950	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C1CC2(CC2)C1	854181001	QYFFFZZVPIDVGZ-ZDUSSCGKSA-N	302.330	1.164	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccccn2)cc1OC	755373453	HQUMKPUXSZGXMJ-UHFFFAOYSA-N	316.317	1.565	50	20	DDGD	
COC(=O)C[C@H]1CCCCN1CCI	759364084	WTGOVZOADFDAAH-SECBINFHSA-N	311.163	1.839	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@]1(C)CCC[C@@H]1C	854388621	QYXWWUKIICCAAP-FZMZJTMJSA-N	300.399	1.749	50	20	DDGD	
O=C(NCc1ccco1)NN=Cc1ccc(O)c([N+](=O)[O-])c1	920826474	XVPHFJUFJTYEOM-UHFFFAOYSA-N	304.262	1.727	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NNC(=O)CC(C)C)C1	751314083	AMNDAJHCDCLHNQ-OLZOCXBDSA-N	311.426	1.465	50	20	DDGD	
COc1c(F)ccc(F)c1C(=O)NNc1ccnc(N(C)C)n1	755820507	PCGYCRGQURFNBQ-UHFFFAOYSA-N	323.303	1.586	50	20	DDGD	
CCC[C@@H](O)CC(=O)NNC(=O)c1cc(-c2ccccc2)on1	750118786	ZMMMRBUWEPIKNY-GFCCVEGCSA-N	317.345	1.654	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@@H]1CCN(CC(F)F)C1	856918083	ASOGICYOWQKTJI-MRVPVSSYSA-N	320.731	1.096	50	20	DDGD	
C[C@@H]1[C@H](CO)CCCN1C(=O)NC[C@]1(C)C[C@H]1Br	856893938	RUPZMFDAVDEKKN-XZUYRWCXSA-N	319.243	1.962	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1CCCN(CCc2ccccc2)C1	854412485	INNREIHQRVPYAQ-KRWDZBQOSA-N	319.449	1.551	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)c2cnn(C)c2)C[C@@H]1C	758109711	KDNONEPWALVYDZ-GWCFXTLKSA-N	306.366	1.505	50	20	DDGD	
CC(C)CCOCCNC(=O)NNC(=O)c1cccc(F)n1	852023144	WSKUPVGOSIOZSZ-UHFFFAOYSA-N	312.345	1.227	50	20	DDGD	
COCC[C@@H]1NC(=O)N(C[C@@]2(C)C[C@H]2Br)C1=O	857227248	JAWNBYYXNBKDRL-VAOFZXAKSA-N	305.172	1.117	50	20	DDGD	
CCOCCONC(=O)NNc1cccc(C(=O)OC)c1C	854001584	CYDNCEFVQGPVTI-UHFFFAOYSA-N	311.338	1.376	50	20	DDGD	
CC(CCN(C)C)=NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C	853377613	ZMZIFANVQQRJNJ-UKRRQHHQSA-N	321.425	1.332	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NC1[C@@H](C)CCC[C@@H]1C	754930606	WCHPMUCIRPGKBC-SDDRHHMPSA-N	315.414	1.193	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@@H]1CCc2c[nH]nc2C1	758910362	CTRUINDNNVEFCN-SNVBAGLBSA-N	317.324	1.050	50	20	DDGD	
O=C(NNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)NC1CC1	920766397	DJLGGDTXNKJYCW-UHFFFAOYSA-N	304.262	1.447	50	20	DDGD	
COCCCN(CCO)C(=O)NC[C@]1(C)C[C@H]1Br	856955764	RAYCDDAEGXTBFC-PWSUYJOCSA-N	323.231	1.200	50	20	DDGD	
COc1ccnc(NNC(=O)Cc2c[nH]c3cc(F)ccc23)n1	751321253	GUVFZMOZTQPXLM-UHFFFAOYSA-N	315.308	1.791	50	20	DDGD	
COCn1ccc(C(=O)NC[C@]2(C)C[C@H]2Br)n1	857386310	SWRNKTVGYMZQBH-KOLCDFICSA-N	302.172	1.390	50	20	DDGD	
Cc1cc(C=NNC(=O)CCCNC(=O)C(C)(C)C)sn1	853407708	AUGUVRACXMILML-UHFFFAOYSA-N	310.423	1.844	50	20	DDGD	
COc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)c2cccn2C)cc1	854287631	JBAXDGNUIVROLT-UONOGXRCSA-N	313.357	1.598	50	20	DDGD	
C[C@H]1CCCC[C@@H]1OCC(=O)NNC(=S)NCC1CCC1	855091081	AONOXNXVUNGZTI-AAEUAGOBSA-N	313.467	1.877	50	20	DDGD	
CC[C@@](COC)(NC[C@@H](CBr)C1CC1)C(=O)OC	859328948	LDGNSZFQZWOGPA-YPMHNXCESA-N	322.243	1.965	50	20	DDGD	
O=C(NN=Cc1ccc(O)c(F)c1)c1cc([N+](=O)[O-])ccc1O	755749667	LHINYKZWRQNBCB-UHFFFAOYSA-N	319.248	1.909	50	20	DDGD	
CC(C)C(=O)NNC(=O)Cc1ccc(Br)cc1F	854214394	XHMSIKMBPZCWLT-UHFFFAOYSA-N	317.158	1.934	50	20	DDGD	
CC1CC(CNC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	856961874	VQVRPJJUVVQOKR-UHFFFAOYSA-N	306.322	1.585	50	20	DDGD	
C[C@@]1(CNC(=O)CCN2CCOC2=O)C[C@@H]1Br	857401424	LVITUVPSOACTTI-KWQFWETISA-N	305.172	1.118	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCSC[C@@H]1CCO	867019681	AZHRWEITNFPDHG-JTQLQIEISA-N	315.888	1.381	50	20	DDGD	
C[C@H](c1ccccc1F)[C@H](O)C(=O)NNC(=O)CC(F)(F)F	869020175	HXGUDGLAIDYWSK-HQJQHLMTSA-N	322.258	1.390	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)c1nc(C2CC2)no1	865976963	DIURSOURJWQNEX-UHFFFAOYSA-N	324.138	1.861	50	20	DDGD	
CCOC(=O)c1cnc(C)c(C(=O)NNc2ncc(F)cn2)c1	767878578	UTJDARKBWKHENP-UHFFFAOYSA-N	319.296	1.253	50	20	DDGD	
COc1nc(N(C)C)sc1C=NNC(=O)c1ccncc1	767013461	BFUAGVZSLVNPKM-UHFFFAOYSA-N	305.363	1.377	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNC(=O)c1cc(C)cs1	862478871	UDKMGKNQAUBOHO-UHFFFAOYSA-N	313.379	1.344	50	20	DDGD	
COc1cccc(C(C)(C)C(=O)NNC(=O)[C@@H]2CCCCO2)c1	868619424	NATCWBKICHAKFS-AWEZNQCLSA-N	320.389	1.689	50	20	DDGD	
C[C@H](CC(F)(F)F)NC(=O)NNC(=O)c1ccc(C#N)cc1	766608193	YQEZVADJRUZDIH-MRVPVSSYSA-N	314.267	1.843	50	20	DDGD	
CC[C@@]1(C(=O)NNC(=O)CCCc2ccccc2)CCNC1=O	865142708	JNZFPYNFLKLLMU-QGZVFWFLSA-N	317.389	1.073	50	20	DDGD	
Cc1ccc([C@H](C)[C@H](O)C(=O)NNC(=O)c2ccc(C)o2)cc1	765142510	NXPPANVFFUWVKO-WFASDCNBSA-N	316.357	1.822	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1ccc(O)c(F)c1	767935886	YBZWLDOEYIWISK-UHFFFAOYSA-N	315.264	1.733	50	20	DDGD	
CC[C@@H](CC(F)(F)F)NC(=O)NNC(=O)Cc1cccnc1	760669875	PAUWTYDQBZLKCF-JTQLQIEISA-N	318.299	1.686	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]32)n1	862518510	VFWPBQITIDIXPO-XQQFMLRXSA-N	302.378	1.528	50	20	DDGD	
C[C@H]1CN(c2ccc(C(=O)NNC(=O)C3CC3)cc2)C[C@@H](C)O1	864443760	IHHRHPHTTGUAHL-TXEJJXNPSA-N	317.389	1.471	50	20	DDGD	
CC(C)c1ccc(OCC(=O)NNC(=O)c2cn[nH]c2)cc1	862474433	TVIYKOXOKCQRPD-UHFFFAOYSA-N	302.334	1.373	50	20	DDGD	
CC(C)(F)C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	768464497	AMLOQVZKZCKXKE-UHFFFAOYSA-N	308.288	1.725	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1nc2ccccc2[nH]1	768507047	LIYIHARSZUDHCP-UHFFFAOYSA-N	305.338	1.532	50	20	DDGD	
CCSc1ccccc1C(C)=NNC(=O)CS(C)(=O)=O	863187317	GYMVOYHLHJTVPN-UHFFFAOYSA-N	314.432	1.683	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	765266157	NAWLZSVCBQQJSB-UHFFFAOYSA-N	318.724	1.570	50	20	DDGD	
O=C(Cc1nc[nH]n1)NNC(=O)c1cc2c(s1)CCCCC2	864537702	IKQDONAHTSDCNE-UHFFFAOYSA-N	319.390	1.139	50	20	DDGD	
CC(=NNC(=O)c1c[nH]c2ccccc12)c1cc(C(N)=O)n(C)c1	767052504	MYYSNRNDDSDSPV-UHFFFAOYSA-N	323.356	1.759	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)c1cncc(Cl)n1	760836982	NNGCZOBNMZPUBU-UHFFFAOYSA-N	300.709	1.830	50	20	DDGD	
CCCCOCC(=O)NNC(=O)c1cncn1-c1ccccc1	1116089733	TXSOPTYRWLBIHP-UHFFFAOYSA-N	316.361	1.450	50	20	DDGD	
CCc1cccc(CC)c1NC(=O)C(=O)NNC(=O)C(C)C	763817156	DBUUDVMBSAWGGG-UHFFFAOYSA-N	305.378	1.553	50	20	DDGD	
CC1=NO[C@H](CNC(=O)NNC(=O)Cc2ccccc2C)C1	875967996	FBYBVWJTRSXAFA-ZDUSSCGKSA-N	304.350	1.033	50	20	DDGD	
CC(C)C[C@@](C)(CC(=O)O)C(=O)NNC(=O)c1ccccc1	872831990	XFQJZHBVPSQOSS-INIZCTEOSA-N	306.362	1.975	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2ccc(-n3cccn3)cc2)n[nH]1	874103133	BNMZQBJRIAJGHO-UHFFFAOYSA-N	308.345	1.597	50	20	DDGD	
O=C(NNC(=O)C1(F)CCCC1)[C@H]1COc2ccccc2O1	771854473	SKWJUKVUMKAGED-GFCCVEGCSA-N	308.309	1.256	50	20	DDGD	
O=C(NNC(=O)c1nc2ccccc2s1)NC1CCOCC1	872840886	HSAXKTZKIRAASC-UHFFFAOYSA-N	320.374	1.419	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H](F)Cc1ccccc1)C1CC1	777992417	QZGASPWCOGSOOC-GXFFZTMASA-N	309.410	1.861	50	20	DDGD	
CC1(C)CC(=NNC(=O)Cc2cc(O)nc(S)n2)CCO1	872339265	FBTWFQXEARIUPS-UHFFFAOYSA-N	310.379	1.075	50	20	DDGD	
COc1cc(F)cc(OC)c1C=NNC(=O)[C@@H]1CCCCO1	872380953	TVFULASVCNEHMK-LBPRGKRZSA-N	310.325	1.862	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC2(CCSCC2)CC1	879201156	YWDIFHSXNPMJES-LBPRGKRZSA-N	313.467	1.542	50	20	DDGD	
CCOc1cc(C(=O)NNC(=O)[C@@H](CC)c2ccccc2)[nH]n1	1118659365	DPEVRDYUCRBOSF-LBPRGKRZSA-N	316.361	1.763	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)c1cncn1-c1ccccc1	1117740158	CBAXLEDXXPYHPI-CQSZACIVSA-N	316.361	1.448	50	20	DDGD	
CCOCCONC(=O)NNC(=O)c1cc2c(s1)CCC2	773513250	YEQSOWKQSCLBQD-UHFFFAOYSA-N	313.379	1.149	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1nc2ccccc2s1	874914329	SLEYPFLYIWAWQA-KOLCDFICSA-N	317.370	1.648	50	20	DDGD	
C[C@]1(C(=O)N2CCC3(CC2)CC(=O)N3)C[C@H]1Br	1119623843	IGQWSCNVWOUIGK-KCJUWKMLSA-N	301.184	1.041	50	20	DDGD	
COc1cc(C#N)ccc1NC(=O)NNc1ncc(F)cn1	775784519	JNBCVIZINUSWGE-UHFFFAOYSA-N	302.269	1.645	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cnccc1C(F)(F)F	880967473	LCKMXGDGLWORKL-UHFFFAOYSA-N	305.260	1.798	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)C1	776300275	GWWYAAWDOTWPSV-PWSUYJOCSA-N	324.402	1.287	50	20	DDGD	
COCc1nc(C(=O)NNc2cc(F)c(F)cc2F)no1	775402312	CUWGJGZVKWFTRX-UHFFFAOYSA-N	302.212	1.390	50	20	DDGD	
O=C(NCCc1ccc(CO)cc1)NNC(=O)c1ccccc1	775716991	KTJHFORHANQZDO-UHFFFAOYSA-N	313.357	1.366	50	20	DDGD	
CC(C)(CNS(=O)(=O)CCCCl)[C@]1(O)CCCOC1	882416051	MFUPEWGVTCQJQL-LBPRGKRZSA-N	313.847	1.102	50	20	DDGD	
Cn1cc(C(=O)NN=C2CCC(C)(N3CCCC3)CC2)cn1	884431160	MOZSXKAICTXZSM-UHFFFAOYSA-N	303.410	1.934	50	20	DDGD	
C[C@@H](OCCc1ccccc1)C(=O)NNC(=O)C1CCOCC1	883070783	CZXZSOOTIITLGE-CYBMUJFWSA-N	320.389	1.208	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](C(=O)N(C)NC(=O)OCc2ccccc2)C1	1120755903	RQPRQNIBXVHBSF-BETUJISGSA-N	320.345	1.485	50	20	DDGD	
Cc1cc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])sn1	785450969	NNVUUGAEYVDKDI-UHFFFAOYSA-N	320.330	1.889	50	20	DDGD	
COCCn1cc(C(=O)NNc2ncccc2Cl)c(C)n1	782855009	ZENLVTBSGWUJIR-UHFFFAOYSA-N	309.757	1.643	50	20	DDGD	
CN(C)C(=O)c1ccc(C(=O)NNc2ncncc2Cl)cc1	781829815	GRCWSZWDIOTYSI-UHFFFAOYSA-N	319.752	1.589	50	20	DDGD	
COc1ccc(NNC(=O)NCc2nc(C3CC3)no2)nc1	780976340	QDXNMQIBEQSYMU-UHFFFAOYSA-N	304.310	1.177	50	20	DDGD	
CC(C)(C)Oc1ccc(C(=O)NNC(=O)C2CCOCC2)nc1	883070387	OKLQYBRSCGQEEF-UHFFFAOYSA-N	321.377	1.447	50	20	DDGD	
O=C(NN=CC1(CN2CCOCC2)CCCCC1)C(F)F	782230182	DRJFELGPFPDHLI-UHFFFAOYSA-N	303.353	1.636	50	20	DDGD	
O=C(NNc1ncncc1Cl)Nc1cnn(CC2CC2)c1	782048038	GUUMFCYXJDRATP-UHFFFAOYSA-N	307.745	1.885	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H](C)C2=CCN(C)CC2)n1	781395602	QSSJULYKPCVUMS-NSHDSACASA-N	320.397	1.070	50	20	DDGD	
C#CCCCC(=O)NNC(=S)NCCc1ccc(F)cc1	899620499	NJGPIBDXMKTODC-UHFFFAOYSA-N	307.394	1.667	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@H]1Cc2ccccc2CN1	892812850	DYBJHISAMWCJLX-AWEZNQCLSA-N	304.394	1.077	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=Cc2ccccc2C(N)=O)cc1	788700704	YPPQTWDSHCGBDS-UHFFFAOYSA-N	322.324	1.186	50	20	DDGD	
Cc1cc(C(=O)NNc2ccccc2S(N)(=O)=O)ccc1F	788228557	MQALFZICZXBSNA-UHFFFAOYSA-N	323.349	1.538	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2c(Cl)cnn2C)cc1OC	780188780	OVEOLVBHUMEJQY-UHFFFAOYSA-N	322.752	1.855	50	20	DDGD	
Cc1nc2c(C(=O)NNc3nc4ccccn4n3)cccc2o1	792482917	UPOLOUMCOQWTNZ-UHFFFAOYSA-N	308.301	1.936	50	20	DDGD	
Cc1cc[nH]c1C(=O)NNC(=O)Cc1nc2ccccc2n1C	797791113	VBDFZTAIMUSEDY-UHFFFAOYSA-N	311.345	1.214	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C(C)c1ccc(O)nn1	790143516	KNWAZECWKADNIM-UHFFFAOYSA-N	316.317	1.110	50	20	DDGD	
CCNC(=O)NN=Cc1c(C)nn(-c2ccccn2)c1Cl	794904377	ZQOYMKVUHGJINR-UHFFFAOYSA-N	306.757	1.882	50	20	DDGD	
O=C(NNC(=O)c1ncccc1Oc1ccccc1)NC1CC1	799582588	OKVVPQJODRQCCV-UHFFFAOYSA-N	312.329	1.980	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC[C@](C)(C(N)=O)C1	794359106	PLDKEEAUEVKRCY-UFBFGSQYSA-N	305.216	1.520	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cn3c(n2)CCCC3)c(O)c1	799832714	CLLXJTMBOYAPSK-UHFFFAOYSA-N	314.345	1.308	50	20	DDGD	
CCc1occc1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	797486155	LDSRAERCIROBSB-JTQLQIEISA-N	310.350	1.581	50	20	DDGD	
O=C(NN=Cc1ccc2c(c1)OCCO2)c1ccc(O)c(O)c1	794558371	RVDMVVTUSXVZJG-UHFFFAOYSA-N	314.297	1.633	50	20	DDGD	
CN(CCC(F)(F)F)C(=O)NNC(=O)Cc1cccnc1	1322480958	ZOAPMCNIBUBRLN-UHFFFAOYSA-N	304.272	1.249	50	20	DDGD	
C[C@H](CC(=O)OC(C)(C)C)NC(=O)NNc1ncncc1F	1324164434	XCRWFFKJUBQNLV-MRVPVSSYSA-N	313.333	1.362	50	20	DDGD	
Cn1ccc(CCNC(=O)NNC(=O)c2ccccc2Cl)n1	1320469369	SUFYQHDYDPSGSD-UHFFFAOYSA-N	321.768	1.260	50	20	DDGD	
CC(C)(C)C(=O)C(=O)NNc1cncc(Br)c1	1320252106	HKGXXJWMLJAZDF-UHFFFAOYSA-N	300.156	1.902	50	20	DDGD	
Cc1cc(NNC(=O)CNC(=O)c2ccc(C)s2)ncn1	1321846136	YCBPGOJVUGXGFS-UHFFFAOYSA-N	305.363	1.028	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC[C@@]2(CCOC2=O)C1	1339417478	VBMBQOMVVUROAR-TVQRCGJNSA-N	318.211	1.962	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccc(SC(F)(F)F)nc1	1330874710	UVOXKIJLPDHRGI-UHFFFAOYSA-N	324.284	1.229	50	20	DDGD	
CN(NC(=O)Cn1c(=O)oc2ccccc21)C(=O)OC(C)(C)C	1330847678	SELLBHBEPAGMLJ-UHFFFAOYSA-N	321.333	1.493	50	20	DDGD	
COCC(C)(C)CNC(=O)NNc1nncc(N)c1Cl	1330173944	IZRMKTWZRCGZSE-UHFFFAOYSA-N	302.766	1.011	50	20	DDGD	
COC(=O)CCc1ccccc1C(=O)NNC(=S)NC(C)C	1332380986	XIZYCGXXIJZIOA-UHFFFAOYSA-N	323.418	1.310	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	1349067850	HOAOPIUYAGWEJN-HLUHBDAQSA-N	324.381	1.150	50	20	DDGD	
O=C(NCC1CC2(C1)OCCO2)NNc1cc(Cl)ccn1	1263178544	OSDMRMOOMQDDOG-UHFFFAOYSA-N	312.757	1.514	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)CCN1CCC(C)CC1	1342842957	NXSSDJOOOXKHDL-UHFFFAOYSA-N	301.394	1.088	50	20	DDGD	
COCC(C)(C)C=NNC(=O)c1cccc(-c2nn[nH]n2)c1	1609316307	RYDKHUVSZNAYQC-UHFFFAOYSA-N	302.338	1.255	50	20	DDGD	
O=C(CCN1CCCCCC1)NN=Cc1ccc(C(=O)O)cn1	1601275940	ZABGSLNQNRPCNO-UHFFFAOYSA-N	318.377	1.496	50	20	DDGD	
O=C(O)c1ccc(CNS(=O)(=O)CCCCl)c(F)c1	1602349953	USATXFHNLXJZLG-UHFFFAOYSA-N	309.746	1.572	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H](C(=O)O)C(C)C)c(OC)c1	1604391583	RZWHDHMJYCXVLI-LBPRGKRZSA-N	324.333	1.282	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)[C@@H]2C[C@H]2C2CCOCC2)cc1	1602128931	GKEWXPQOMREYOE-LSDHHAIUSA-N	318.373	1.820	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@]1(C(=O)O)CC=CCC1	1605687239	IVMASFKCFVFCRT-KRWDZBQOSA-N	316.357	1.578	50	20	DDGD	
Cc1c(NNC(=O)CC2CCN(C)CC2)cccc1C(=O)O	1600052918	XEELWFYCDASZPW-UHFFFAOYSA-N	305.378	1.868	50	20	DDGD	
O=C(CCC(=O)c1ccccn1)NNc1cccc(C(=O)O)c1	1610654842	RHLLAPUYXZFDFG-UHFFFAOYSA-N	313.313	1.886	50	20	DDGD	
Cc1nnc(COCC(=O)NNc2ccccc2C(=O)O)s1	1610572653	JJKDAELGIYNRSI-UHFFFAOYSA-N	322.346	1.205	50	20	DDGD	
N#CC1=CCN(CCCN2C(=O)CS/C2=C/C(=O)O)CC1	1610619794	BEVAYLLLDLJJFS-MDWZMJQESA-N	307.375	1.034	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCOC1)[C@H](F)Cl	1803231459	PEGWNZVRZWOVIJ-ZIQFBCGOSA-N	318.776	1.196	50	20	DDGD	
CCn1nccc1[C@@H]1OCCC[C@H]1C=NNC(=O)c1ccon1	1553288205	RYTRTYQGDDGFKX-SMDDNHRTSA-N	317.349	1.775	50	20	DDGD	
COc1cc(NNC(=O)NCC2[C@H]3CNC[C@H]23)ccc1Cl	1579166999	UXJHRSCPCULHDM-UWVGGRQHSA-N	310.785	1.440	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H](N)c1ccccc1C(F)(F)F	1578006473	GTSMLRPBBVDKRR-VIFPVBQESA-N	305.256	1.483	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC2(CCNCC2)C[C@@H]1C	1575522316	JLFDMEFQYLAPGW-UONOGXRCSA-N	324.469	1.032	50	20	DDGD	
C[C@@H]1CC2(CCNCC2)CN1C(=O)/C(C#N)=C/c1cnn(C)c1	1576639069	XKPVEVNNDBQLTA-BKNIFWKGSA-N	313.405	1.318	50	20	DDGD	
C[C@]1(C(=O)NNc2cc(C(F)(F)F)ccn2)C[C@@H](N)CCO1	1576351162	XIILBVNSSQKQGN-JOYOIKCWSA-N	318.299	1.440	50	20	DDGD	
C[C@@H](NC(=O)NNc1nc2cccnc2s1)[C@@H]1CCCNC1	1576211979	BCLOAEAFNUQAKL-NXEZZACHSA-N	320.422	1.706	50	20	DDGD	
CC(=NNC(=O)C(=O)O)c1cnn(-c2cccc(Cl)c2)c1C	1589010807	JOJRAFGWGKUZBC-UHFFFAOYSA-N	320.736	1.759	50	20	DDGD	
N[C@H]1CC[C@H](C(=O)NNc2ncccc2Br)CC1	1580416003	ZOELDHJZPDTYCP-KYZUINATSA-N	313.199	1.805	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)NNc2ncccc2C(=O)O)c1C	1588526832	FBUWWIZOSFUYPV-UHFFFAOYSA-N	316.317	1.684	50	20	DDGD	
C=CC[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl	1847562463	FNODLPBEQACMKZ-MROQNXINSA-N	314.813	1.000	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNc2ccc(F)c(C(=O)O)c2)C1	1594696222	SYIKNENLPRIWNY-SECBINFHSA-N	323.324	1.226	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@@H](C(=O)O)C1CCCC1	1594710861	BEHVEVUWISWSHX-AWEZNQCLSA-N	322.336	1.407	50	20	DDGD	
COc1ccccc1C(=O)/C(C#N)=C/c1cc(C(=O)O)nn1C	1594139933	XJTIJCPNYOUKMS-JXMROGBWSA-N	311.297	1.917	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)[C@H]1CC[C@H]1C(=O)O	1594781770	GOQZHKGRHGVODZ-JGVFFNPUSA-N	314.139	1.398	50	20	DDGD	
O=C(O)/C=C\c1ccc(C=NNC(=O)NCc2ccco2)o1	1776038996	BHNABRZCVDARAE-YKNQRXMJSA-N	303.274	1.804	50	20	DDGD	
C/C=C(\C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Cl)CCO2	1783069442	YCDQIMSHFUOWQU-PCURZRJYSA-N	318.776	1.317	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=S)NC(C)(C)C)cc1	14895015	RELXQCSUDUZTSA-UHFFFAOYSA-N	309.435	1.922	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)Cc1ccoc1	163867331	WHNXKGMIODLTHZ-UHFFFAOYSA-N	318.329	1.447	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cc(C)n[nH]2)c1	151160317	LWRVJZUCTCIXJQ-LLVKDONJSA-N	302.334	1.255	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2noc3c2CCCCC3)c1	152900094	PWSXGOFEQNBPIX-UHFFFAOYSA-N	324.340	1.890	50	20	DDGD	
Cc1noc(C2CCN(S(=O)(=O)CCCCCl)CC2)n1	153601918	CSDWETAFRYZPLR-UHFFFAOYSA-N	321.830	1.906	50	20	DDGD	
Cc1ccc(C(=O)NNc2ncnc3nc[nH]c23)cc1[N+](=O)[O-]	156278791	KKLKTYQHJNRLTE-UHFFFAOYSA-N	313.277	1.326	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc2c3c(cccc13)CC2	154384083	OYCNQENNRSRZII-UHFFFAOYSA-N	312.373	1.653	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](C)C1(N2CCOCC2)CCCC1	159703002	VRLYCXUZRIKMAD-JNINTMOKSA-N	321.421	1.580	50	20	DDGD	
CSSCCNS(=O)(=O)c1cccc(F)c1C#N	397938528	PFPRJYDHDMREIZ-UHFFFAOYSA-N	306.409	1.987	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)c1ccc(Cl)cc1	3612866	XCNKVXOSIXCDAC-UHFFFAOYSA-N	320.732	1.886	50	20	DDGD	
O=C(CCc1ccccc1Cl)NNC(=O)Cc1cc[nH]n1	106416944	LHEUAFPAWUDDPE-UHFFFAOYSA-N	306.753	1.386	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNC(=O)c1cc2ccccc2o1	177755575	IDWNHLUEZLKRHI-LLVKDONJSA-N	320.345	1.635	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1c[nH]nc1-c1ccccc1	109859842	YSFVWRMWGQYEBX-UHFFFAOYSA-N	310.317	1.183	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCCOc1ccccc1	61528143	IWJHWBIBQKIODB-UHFFFAOYSA-N	301.346	1.645	50	20	DDGD	
Cc1n[nH]c(SCC(=O)NNc2cc(F)c(F)cc2F)n1	178243457	QUSPDWMGHUHTBB-UHFFFAOYSA-N	317.296	1.766	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccccc2)cc1S(N)(=O)=O	178823277	ZPCHZWUFRHWMHT-UHFFFAOYSA-N	305.359	1.399	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cn(Cc2cccs2)nn1	173041327	ONYSOLIDYMHOAT-UHFFFAOYSA-N	323.378	1.557	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC(C)(C)C)ccc1-n1cncn1	175991056	FSSSELCAWLPSDQ-UHFFFAOYSA-N	315.377	1.773	50	20	DDGD	
CCC[C@H](NNC(=O)COc1ccc(F)cc1)C(=O)OCC	173829155	JTSDBQLGWNJHJF-ZDUSSCGKSA-N	312.341	1.557	50	20	DDGD	
C[C@@H]1CCCC[C@H]1N(C)CC(=O)NNC(=O)c1ccccc1	119981714	DAZUGGHMUPNQNY-UKRRQHHQSA-N	303.406	1.958	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3cc[nH]c3)[nH]n2)cc1	111568425	HHWFDDGOTOMKPC-UHFFFAOYSA-N	309.329	1.788	50	20	DDGD	
Cc1nn(C)cc1CCC(=O)NNc1ccc(C(C)(C)C)nn1	118528189	CXSXSRKSEVAFFV-UHFFFAOYSA-N	316.409	1.892	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)[C@H]2C[C@H]2C2CC2)nc2ccccc21	177611797	RIVYPNFJJRFXGZ-RYUDHWBXSA-N	312.373	1.309	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc(-c2ccccc2)no1	68455268	NWTFMFJMYSFPBB-UHFFFAOYSA-N	300.318	1.696	50	20	DDGD	
CNC(=O)NNC(=O)c1nc(C)n(-c2ccccc2C(C)C)n1	124897516	JJVREUOPSVNJLP-UHFFFAOYSA-N	316.365	1.273	50	20	DDGD	
CCOc1ccc(/C=C/C(=O)NNC(=O)NC(C)C)cc1OC	63271126	YGNJSTPTLBFZRA-VQHVLOKHSA-N	321.377	1.846	50	20	DDGD	
CN(CCc1ccncc1)CC(=O)NNC(=O)c1ccccc1	181459863	XOBHZOUVBXTXSL-UHFFFAOYSA-N	312.373	1.017	50	20	DDGD	
O=C(CCn1ccccc1=O)NNc1ccccc1[N+](=O)[O-]	78934084	LGTHXPKCWFWQIJ-UHFFFAOYSA-N	302.290	1.290	50	20	DDGD	
COCCN(C)CCNC(=O)c1c(C)nn(CCCl)c1C	74252580	SKIUDBLVLSGNEI-UHFFFAOYSA-N	316.833	1.047	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(N3CCCC3)nc2)nc(C)n1	128782318	DCSYSZSKJGQQMI-UHFFFAOYSA-N	312.377	1.846	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNC(=O)NCc2ccco2)[nH]n1	122771522	ZWHKBXWHDCGPBK-UHFFFAOYSA-N	305.338	1.444	50	20	DDGD	
C=CCN(CC=C)CC(=O)NNC(=O)c1ccccc1Cl	72938872	XGQSBSPNPVZWJV-UHFFFAOYSA-N	307.781	1.775	50	20	DDGD	
O=C(C[C@H]1C(=O)Nc2ccccc21)NNc1ncc(F)cn1	122452445	HWBOEMOWMJBGLD-SNVBAGLBSA-N	301.281	1.185	50	20	DDGD	
CC[S@@](=O)c1ccccc1C(=O)NNC(=O)c1ccccc1	126262169	MJTUQLMRHGKWTO-QFIPXVFZSA-N	316.382	1.889	50	20	DDGD	
CCC(CC)N1C[C@H](C(=O)NNc2ccc(OC)cn2)CC1=O	187482175	DTKUJQIOWABMPK-LLVKDONJSA-N	320.393	1.570	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1ccc(C#N)cc1	79532804	FWABNAMQTYFCEY-MFKMUULPSA-N	302.334	1.129	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccccn2)c2ccc(F)cc2N1	181211810	SROHPAPEGKTFMV-NSHDSACASA-N	300.293	1.790	50	20	DDGD	
CCO[C@H]1CCCN(CC(=O)NNC(=O)c2ccc(C)cc2)C1	76407525	OHWWRWQWFWRWHI-HNNXBMFYSA-N	319.405	1.257	50	20	DDGD	
O=C(CCCCc1c[nH]nn1)NNC(=O)CCc1ccccc1	139247634	UPCMIPFMLHUSQV-UHFFFAOYSA-N	315.377	1.298	50	20	DDGD	
CO[C@@H](C)C(=O)NNC(=O)Cc1nc(-c2ccccc2)cs1	77956965	FSNLPPAIWQGLPW-JTQLQIEISA-N	319.386	1.535	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2ccc(C#N)[nH]2)cc1	133605456	XQMAAVGGQQFVKA-UHFFFAOYSA-N	314.370	1.748	50	20	DDGD	
Cc1cccc(NC(=O)NCC(=O)NNc2ncccn2)c1	42041543	XCOJMXXOHMJNJM-UHFFFAOYSA-N	300.322	1.050	50	20	DDGD	
CCN(C(C)=O)c1nc(/C=C(\C#N)C(=O)NC2CC2)cs1	198896215	MVIDRMIVOVJVLB-UXBLZVDNSA-N	304.375	1.701	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccn(C2CCCC2)n1	132082340	MFJLGEKYLXXRDE-UHFFFAOYSA-N	302.338	1.554	50	20	DDGD	
COc1nccnc1NNC(=O)Cc1ccccc1[N+](=O)[O-]	131746892	KWCZNMUHZPFXNP-UHFFFAOYSA-N	303.278	1.079	50	20	DDGD	
CCc1cnc(NC(=O)C(=O)NNc2ccc(C#N)cc2)s1	190728302	YYARXLKXQNZKPK-UHFFFAOYSA-N	315.358	1.659	50	20	DDGD	
CCCc1cccc(C(C)C)c1NC(=O)C(=O)NNC(C)=O	190589682	GQQOHFISPHSTJJ-UHFFFAOYSA-N	305.378	1.868	50	20	DDGD	
C=CCOc1ccc(C(=O)NNc2ncccn2)cc1OC	43731327	GBBYDZCOPSMFEH-UHFFFAOYSA-N	300.318	1.807	50	20	DDGD	
O=C(CCc1cccc([N+](=O)[O-])c1)NNC(=O)c1ccccc1	86964258	HXELPYZZSKBDJJ-UHFFFAOYSA-N	313.313	1.989	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@H]2CCN(CC(C)C)C2)o1	134001244	LUKKWVOEAWUGJQ-CYBMUJFWSA-N	322.409	1.510	50	20	DDGD	
Cc1csc(NC(=O)NNC(=O)COc2ccccc2F)n1	146736247	QBFCVIHMHYFSAP-UHFFFAOYSA-N	324.337	1.822	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)CCCC(C)=O	194531930	LIDLUFSXZYVELK-UHFFFAOYSA-N	312.753	1.869	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC2CC2)c(Br)s1	268445318	DWVXXEBBGLMTMN-UHFFFAOYSA-N	318.196	1.925	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNc2ncnc3ccsc23)C1	269743225	ZWXGUIAEQCDABU-SECBINFHSA-N	319.390	1.393	50	20	DDGD	
C[C@H](CCc1ccc(O)cc1)NC(=O)NNC(=O)C1CCC1	264683950	BKRUIGXJSMKUPM-LLVKDONJSA-N	305.378	1.844	50	20	DDGD	
CN(C)Cc1ccsc1C(=O)NNC(=O)Cc1cccnc1	268065987	AVZYNGTVHBNJLX-UHFFFAOYSA-N	318.402	1.208	50	20	DDGD	
CN(C)N(C(=O)c1ccc2[nH]ccc2c1)[C@H]1CCS(=O)(=O)C1	264662851	SQTGMGWCBHBJQV-ZDUSSCGKSA-N	321.402	1.274	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNC(=O)Cc2cccnc2)ccn1	268317599	DNWKFBNPZOCINR-UHFFFAOYSA-N	314.345	1.268	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)C2CC2)nn1-c1ccccc1F	266085028	OJFUWVGHAHXWOE-UHFFFAOYSA-N	317.324	1.140	50	20	DDGD	
CO[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ccc(C#N)cc1	266621786	XRDCUWUZDXSOEI-KBPBESRZSA-N	316.361	1.460	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	266517910	JIKROBGXJOXINX-UHFFFAOYSA-N	313.379	1.289	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@H](C)c1ccc(C)cc1	267164548	JXZRGCNHSBONMY-CHWSQXEVSA-N	323.393	1.438	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)C2CC2)cccc1N1CCOC1=O	274125051	NVXUGKKCYMKXAT-UHFFFAOYSA-N	318.333	1.514	50	20	DDGD	
Cc1cccc(F)c1NC(=O)C(=O)NNC(=O)CC1CCCC1	274076734	PQYBDJNINUBWPW-UHFFFAOYSA-N	321.352	1.800	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2ccc(Cl)nc2)[C@H]1OC	275377931	ZJVMMZCRALBGKV-CKYFFXLPSA-N	314.773	1.554	50	20	DDGD	
CC(=O)Nc1cc(NC(=O)NNC(=O)C2CCC2)ccc1C	272358341	PUVRBCVEEOHGMM-UHFFFAOYSA-N	304.350	1.906	50	20	DDGD	
CC(C)(C)OC(=O)C(=O)NNc1nnc(-c2ccccn2)s1	276165644	BYWGHSRFHYPDTI-UHFFFAOYSA-N	321.362	1.385	50	20	DDGD	
CCC1(C(=O)NNC(=O)COc2ccccc2O)CCOCC1	272196774	CJRVPZURFAWXQK-UHFFFAOYSA-N	322.361	1.125	50	20	DDGD	
CC1(C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)COC1	273016973	CAVXUOGERPEDHA-UHFFFAOYSA-N	318.308	1.013	50	20	DDGD	
N#CCc1ccc(C(=O)NN=c2nc(-c3ccncc3)[nH]o2)cc1	362162883	QOCUZIPHAJBKOM-UHFFFAOYSA-N	320.312	1.376	50	20	DDGD	
O=C(CCC1CCNCC1)NNc1ncnc2ccsc12	270962280	HFFSJNRPZOVOKZ-UHFFFAOYSA-N	305.407	1.914	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1	288474731	REOGVLNRYAEWPZ-MRXNPFEDSA-N	305.422	1.508	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1n[nH]c2c1CCCCC2	280904176	FBFOXHAODIMXKR-UHFFFAOYSA-N	319.287	1.185	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNC(=O)Nc1cccc(Cl)c1	283796767	VCYZREMEPNSFIE-UHFFFAOYSA-N	313.741	1.834	50	20	DDGD	
CO/N=C/C(=O)NNC(=O)COc1cc(C)ccc1C(C)C	289035427	HIFFPTBSKONXDM-LZYBPNLTSA-N	307.350	1.277	50	20	DDGD	
O=C(C[C@@H]1COC(=O)C1)NNC(=O)Nc1cccc(Cl)c1	283623871	AUWSOUQNCSIHFV-QMMMGPOBSA-N	311.725	1.446	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccnn1)[C@H](c1ccccc1)N(C)C	288164832	OUTVKDPQXOTXNJ-IUODEOHRSA-N	314.393	1.794	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1c(C)c(C(F)(F)F)nn1C	287772799	YGVUIUNVLUFWID-LURJTMIESA-N	321.303	1.946	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)C2=CCOCC2)cc1	802117562	UGIQKMUUBQAQST-UHFFFAOYSA-N	304.350	1.252	50	20	DDGD	
CC[C@](O)(C(=O)NNc1cccnn1)c1cccc(Cl)c1	800534694	RILHLSLWZZOLGM-CQSZACIVSA-N	306.753	1.871	50	20	DDGD	
O=C(CCc1nc(-c2ccoc2)no1)NNc1cccc(F)n1	804772656	LWYSHMFNBOVNPP-UHFFFAOYSA-N	317.280	1.940	50	20	DDGD	
CCCCN(C)C[C@@H](C)NC(=O)NNC(=O)Cc1ccncc1	292108258	WAZIOJNHOPEBRJ-CYBMUJFWSA-N	321.425	1.075	50	20	DDGD	
C#Cc1cncc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])c1	807445073	OAKGSCIOMNBBEX-UHFFFAOYSA-N	300.249	1.867	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@](C)(O)[C@H](C)c2ccccc2)O1	293865579	IQGFBDPRUXBMGI-GMIGKAJZSA-N	320.389	1.256	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)Nc1ccc(OC)cc1	802055667	QNEGDFFTFSZRMW-GWCFXTLKSA-N	309.366	1.909	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CNC(=O)c1ccc(C#N)cc1	808246737	JSFQAZJQJLIZNV-UHFFFAOYSA-N	314.172	1.550	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H](C)OCc2ccc(F)cc2)O1	295216495	AQJOAZLNNTVCAH-WDMOLILDSA-N	324.352	1.446	50	20	DDGD	
CN(NC(=O)c1c(N)cccc1[N+](=O)[O-])C(=O)OC(C)(C)C	297042987	BHWIHWUJZIEXJG-UHFFFAOYSA-N	310.310	1.689	50	20	DDGD	
C#CCO[C@H](C)C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	294387539	OLQFHWDLXPHUHX-WDEREUQCSA-N	320.414	1.672	50	20	DDGD	
C[C@@H]1C[C@@H](C)CN(CCCNC(=O)NNc2ncncc2F)C1	293131846	ZAUFIZUIKSXANX-VXGBXAGGSA-N	324.404	1.610	50	20	DDGD	
C[C@@H]1CCCN(c2cc(C(=O)NNc3cccnn3)ccn2)C1	291640893	HFPCVFOBZMZNEY-GFCCVEGCSA-N	312.377	1.865	50	20	DDGD	
O=C(Cc1cccc(Cl)c1F)NNC(=O)[C@@H]1CCCCO1	295330193	HDYPBKIBKVINDG-NSHDSACASA-N	314.744	1.738	50	20	DDGD	
Cn1cc(C(=O)NNc2ncccc2F)c(-c2ccncc2)n1	804213024	HWIKHUKEHSNUFN-UHFFFAOYSA-N	312.308	1.773	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cc(C(=O)OC)c(C)n1C	800807912	CIDWMFNHMGTPEP-UHFFFAOYSA-N	322.409	1.302	50	20	DDGD	
O=C(Cc1coc2ccccc12)NNC(=O)N=c1cc[nH]cc1	803394139	NTDNUWLWKNGGJD-UHFFFAOYSA-N	310.313	1.645	50	20	DDGD	
CC(C)(C)OC(=O)CCNC(=O)NNc1ncc(F)cc1F	297276566	PFMBAYUMCHCPOR-UHFFFAOYSA-N	316.308	1.718	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)O1	294185170	JXMWIQSFFDUFKK-WJZNIJOASA-N	324.327	1.783	50	20	DDGD	
COc1ccccc1C1(C(=O)NNC(=O)[C@H]2CCCCO2)CC1	295354924	IVOXIDSSKISWEQ-CQSZACIVSA-N	318.373	1.443	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1ncn(C2CCCCC2)n1	296653638	TYHYQPQDGKTODH-NSHDSACASA-N	322.369	1.115	50	20	DDGD	
C[C@H](Cc1cccc(F)c1)C(=O)NNC(=O)N=c1cc[nH]cc1	802024203	LPKNVIQYIAZTBL-LLVKDONJSA-N	316.336	1.674	50	20	DDGD	
Cc1ncc2n1CC[C@H](C(=O)NNc1ncccc1[N+](=O)[O-])C2	810527847	LAIYGJHHHZPJLW-JTQLQIEISA-N	316.321	1.200	50	20	DDGD	
Cn1ncc(C=NNC(=O)c2cc([N+](=O)[O-])ccc2O)c1Cl	814858072	KDMXOAGEXWSXEX-UHFFFAOYSA-N	323.696	1.451	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1COc2cc(C)c(C)cc21	814864916	JTASXIIYZBWPBB-LBPRGKRZSA-N	306.362	1.568	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C(C)C)nc1C	815349459	ISEBQYCDDUPUAL-LLVKDONJSA-N	321.377	1.616	50	20	DDGD	
COc1cccc(NNC(=O)c2ccnc(-c3ncc[nH]3)c2)n1	816014050	LMLPOWRIHUUXFB-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
COCCCNC(=O)NNC(=O)C1(c2ccc(C)cc2)CCC1	819164897	XILSYDASABNVFP-UHFFFAOYSA-N	319.405	1.784	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cc1cccnc1)c1ccccc1	728799877	VOBUFBRKYXEVGA-LBPRGKRZSA-N	314.414	1.881	50	20	DDGD	
N#CCCCCNC(=O)NNC(=O)Cc1c[nH]c2ccccc12	729055936	BCANLKMKJPNQEM-UHFFFAOYSA-N	313.361	1.735	50	20	DDGD	
CN(NC(=O)c1cc2c(nc1O)CC(C)(C)CC2=O)C1CC1	819646914	FHNMIONSYVFOEB-UHFFFAOYSA-N	303.362	1.681	50	20	DDGD	
COC(=O)COc1c(C)cc(C(=O)NN(C)C2CC2)cc1C	819648943	YIWWGJOXSUKHIT-UHFFFAOYSA-N	306.362	1.594	50	20	DDGD	
CCC(=NNC(=O)CN1CCCC1=O)c1ccc(Cl)c(N)c1	814761488	XKWFAQJIGRVGQJ-UHFFFAOYSA-N	322.796	1.775	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2cccnc2)c(C(C)C)n1	823108972	PUOHUQLWNAVWMX-UHFFFAOYSA-N	312.373	1.912	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)NNC(=O)c1ccc2ccccc2c1	726770537	UXOSOTZOSZHCOO-UHFFFAOYSA-N	313.357	1.516	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCCN2CCCC(C)(C)C2)cn1	491176802	RUYZYHIZBBCURB-OQLLNIDSSA-N	315.421	1.565	50	20	DDGD	
O=C(/C=C/Sc1ccccc1)NNC(=O)N=c1cc[nH]cc1	493426168	GCRHFEGQKKMMBH-DHZHZOJOSA-N	314.370	1.962	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)/C=C/c2cccnc2)cc1	492814748	VJKCSTVXQKZOJH-RMKNXTFCSA-N	324.340	1.189	50	20	DDGD	
O=C(/C=C\c1ccc(O)cc1)NNC(=O)Cc1ccccc1F	492595714	VRRJEYRUCWHQPA-YFHOEESVSA-N	314.316	1.935	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccc2c1OC(F)(F)O2	823763545	XHTAPSHBNFQBNR-UHFFFAOYSA-N	315.276	1.752	50	20	DDGD	
COCc1cccc(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	825702221	PYQXPNFWRBSTRC-BXUZGUMPSA-N	321.377	1.088	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)/C=C\C3CCCC3)nc21	493135307	BLXQXKQBBLDSLA-SREVYHEPSA-N	302.338	1.258	50	20	DDGD	
C[C@@]1(C(=O)NCCc2nnc(S)o2)C[C@@H]1Br	907460465	ALOJGEGRCCJOGI-SSDLBLMSSA-N	306.185	1.191	50	20	DDGD	
CCCN(CCC)CCCNCc1ccc(B(O)O)cc1F	585016757	YIZUCTFZOMKPIP-UHFFFAOYSA-N	310.222	1.107	50	20	DDGD	
N#Cc1ccc(NNC(=O)CCN2CCOC2=O)cc1Cl	495302026	LJAZKTVGYBTVGO-UHFFFAOYSA-N	308.725	1.497	50	20	DDGD	
CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)/C(C#N)=C/c4cnn(C)c4)[C@H]1[C@H]3C2	490969753	FOLKYHKGGJHRDZ-UWKARGBJSA-N	312.373	1.209	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CNc2ccccc2)c(O)c1	823327377	HNJYKHJEDZJREJ-UHFFFAOYSA-N	315.329	1.274	50	20	DDGD	
O=C(/C=C/c1c(Cl)nc2ccccn12)N1CC[C@@H](B(O)O)C1	585069882	RPDRCHCURXTJDI-ORAHPGNNSA-N	319.557	1.076	50	20	DDGD	
Cc1c(C(=O)NN(C)[C@@H](C)CO)cnn1-c1ccccc1F	823977421	WQUDVMLKFNPELT-JTQLQIEISA-N	306.341	1.277	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)c(OC)c1	823148471	OGDYQSQQNVFUIR-COPLHBTASA-N	318.373	1.901	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(Br)nc1)n1cncn1	732838370	NMVPJCMQEBSWTG-ZETCQYMHSA-N	311.143	1.140	50	20	DDGD	
CCOc1ccc(C(=O)N2CC[C@H](B(O)O)C2)cc1OCC	585071659	YLNAYJJYAAAVMD-LBPRGKRZSA-N	307.155	1.173	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)[C@H]1C[C@H]2CC[C@H]1C2	825535034	YHZDZQVPFAELHK-XNBXPENISA-N	309.410	1.567	50	20	DDGD	
O=C(N[C@H]1C[C@H]1C1CCCCC1)c1ccc(B(O)O)c(F)c1	584951375	ORKXKYFCUPAMDT-WFASDCNBSA-N	305.158	1.204	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1	732751896	VDOZQVCZKOPVGO-CHWSQXEVSA-N	309.410	1.219	50	20	DDGD	
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1cc(C)nc(C)n1	495513790	SJTQXYXXSCHEQX-LLVKDONJSA-N	323.397	1.840	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2ccoc2C(=O)O)c(OC)c1	737925963	CYXHXKFRRGSPKC-UHFFFAOYSA-N	318.285	1.759	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@H](O)CC(C)(C)C1	832147352	FYFMUDQCBHOGCN-STQMWFEESA-N	313.442	1.051	50	20	DDGD	
CC[C@](C)(C=NNC(=O)Cn1nnc(-c2ccccc2)n1)OC	834922046	XNEQLTVCTOJJCZ-OAHLLOKOSA-N	316.365	1.257	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C2(C(=O)OC)CC2)ccc1F	837035747	GXZBAFAPPJOZHR-UHFFFAOYSA-N	310.281	1.009	50	20	DDGD	
COCC1(CNC(=O)NNc2nc(C)cc(OC)n2)CCCC1	836660104	RGNXCHCUDVGLGO-UHFFFAOYSA-N	323.397	1.627	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C[C@@H]2CCOC2)c1C	739679726	AAJATFWRGMDZAQ-KBPBESRZSA-N	320.389	1.645	50	20	DDGD	
Cn1nc2c(c1C(=O)NNc1ncnc3ccsc13)CCC2	907043821	CWFAOZISSUKCKN-UHFFFAOYSA-N	314.374	1.670	50	20	DDGD	
Cc1ccc2c(c1)N([C@@H](C)C(=O)NNC(=O)CC(C)C)CC2	732199589	KBDYHPNIILINOC-ZDUSSCGKSA-N	303.406	1.940	50	20	DDGD	
CC1(CCNC(=O)NNc2ncc(F)cc2F)OCCO1	838554876	DYMUDPJUKSLRPL-UHFFFAOYSA-N	302.281	1.139	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H]2CCCCO2)ccc1-n1cncn1	834989844	RYGAQYYAYNPPMM-OAHLLOKOSA-N	313.361	1.595	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNC(=O)c1c[nH]c2ccccc12	839474034	VZBFJYLLZVFQEN-LLVKDONJSA-N	316.361	1.077	50	20	DDGD	
COc1cccc(CCNC(=O)[C@]2(C)C[C@@H]2Br)n1	906942962	WPIHVLSKLZWOIA-GXFFZTMASA-N	313.195	1.922	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNc1ccc(C(=O)O)cc1OC	833725345	UTQRCUSKLXFMCW-SNVBAGLBSA-N	310.350	1.899	50	20	DDGD	
O=C(O)CCCN1CCC(=NNC(=O)NCc2ccco2)CC1	739672592	UWASPKLIZHNAAI-UHFFFAOYSA-N	322.365	1.395	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2ncon2)CCc2ccccc2C1	832825687	DRGRYJQMKWKBBT-OAHLLOKOSA-N	300.318	1.026	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCCO1)c1ccc2c(c1)OCC(=O)N2	834984946	FEAOEPPNPJFZBQ-CYBMUJFWSA-N	317.345	1.427	50	20	DDGD	
CC(C)(C)c1n[nH]c(CNC(=O)NNc2ccc(Cl)nn2)n1	838755801	GUPSJHXRTAHAIG-UHFFFAOYSA-N	324.776	1.372	50	20	DDGD	
CN(C)CCCNC(=O)NNC(=O)c1cccc2ccccc12	745253813	MRKMWWHERZBPEV-UHFFFAOYSA-N	314.389	1.736	50	20	DDGD	
CC(C)CO[C@H](C)C(=O)NNc1cc(O)nc2ncccc12	913994466	IFADPJLLFFXXSY-SNVBAGLBSA-N	304.350	1.840	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])cc1	749718612	HEYCBWIIJRJJSG-UHFFFAOYSA-N	317.305	1.264	50	20	DDGD	
Nc1nccnc1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	917214406	OXOVLZVNCXLSDK-UHFFFAOYSA-N	308.685	1.377	50	20	DDGD	
Cn1ccc(C(=O)NNc2ncccc2C(F)(F)F)cc1=O	740091695	QSWBXDWBUHLFLP-UHFFFAOYSA-N	312.251	1.556	50	20	DDGD	
N[C@@H]1CCc2ncc(NC(=O)NNc3ncccc3F)cc2C1	841320815	ATWPVHMXWBAYND-SNVBAGLBSA-N	316.340	1.580	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)[C@H](C)[C@H](C)S(C)(=O)=O)c1	841408970	OWPXVOJNRHWBSF-ZJUUUORDSA-N	302.371	1.646	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)N[C@@H]2CCNC2)c(Cl)c1	841939614	QPVZCSQXLZOXCH-SECBINFHSA-N	311.773	1.346	50	20	DDGD	
O=C(NCCC1CCNCC1)NNC(=O)c1ccccc1F	846209634	GOSZULQKEJKYDX-UHFFFAOYSA-N	308.357	1.159	50	20	DDGD	
CCn1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)n1	843518638	YUAKDOAHGVKXSD-JTQLQIEISA-N	320.324	1.271	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)Cc1ccccc1F)C(C)C	743636419	FLFUIMZUKQDXEM-CYBMUJFWSA-N	311.357	1.370	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)COC1(C)CCC1	746296026	HYEWOJBOZOSIPD-UHFFFAOYSA-N	320.389	1.734	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNC(=O)c2ccccc2C)c1	742035755	YDZHSUYMDHUIAZ-UHFFFAOYSA-N	311.341	1.429	50	20	DDGD	
C[C@H]1Cc2ccccc2N(CC(=O)NNC(=O)C(C)(C)C)C1	744398238	CWGGHDLPNZMWCW-LBPRGKRZSA-N	303.406	1.879	50	20	DDGD	
C=C(C)CONC(=O)NNC(=O)COc1ccccc1OCC	845589939	MDSPGHIOAVGPGG-UHFFFAOYSA-N	323.349	1.302	50	20	DDGD	
CC(C)(C)Oc1ccc(C(=O)NNC(=O)c2ncccn2)nc1	841352723	MFMVBQIAKWEJMJ-UHFFFAOYSA-N	315.333	1.124	50	20	DDGD	
CC(C)COc1ccccc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843651790	OUNVSNDJWIZZNF-QWHCGFSZSA-N	320.389	1.907	50	20	DDGD	
CC(=O)Nc1cccc(C(C)=NNC(=O)[C@H]2CCO[C@H]2C)c1	842551210	AWOCYQHRVDYTIK-NHYWBVRUSA-N	303.362	1.910	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccccc1-n1cccn1	843642702	GIIWDFPDRLSXBC-NWDGAFQWSA-N	314.345	1.058	50	20	DDGD	
CCN[C@H](C)CNC(=O)NNC(=O)COc1cc(C)ccc1C	841984639	FPZFUJWKWPUCRL-CYBMUJFWSA-N	322.409	1.011	50	20	DDGD	
O=C(NC[C@@H]1CC1(Cl)Cl)NNc1ccc(Cl)nn1	915907886	IRHJDZIRTGKRFA-YFKPBYRVSA-N	310.572	1.950	50	20	DDGD	
CCc1nc(C(C)C)ccc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843661534	OPWIZONSVGSESC-VXGBXAGGSA-N	319.405	1.953	50	20	DDGD	
COC(=O)N(C)NC(=O)c1c(C)n(C)c2ccc(OC)cc12	843882298	MAEMUNFIFUMOQS-UHFFFAOYSA-N	305.334	1.838	50	20	DDGD	
CC(C)C[C@@H](CN)NC(=O)NNC(=O)Cc1ccc(F)cc1	841953678	KNOHEJPQNCCNEB-ZDUSSCGKSA-N	310.373	1.072	50	20	DDGD	
COc1cc(OC)c(C=NNC(=O)[C@H]2CCO[C@@H]2C)cc1F	844601453	NKHCKBUZIHTHNE-KOLCDFICSA-N	310.325	1.718	50	20	DDGD	
C[C@@H]1NC(=O)[C@H](C)N(C(=O)/C(C#N)=C\c2ccc(O)cc2)[C@@H]1C	911799672	KIBNISPOJFNJSX-UGTLFWGPSA-N	313.357	1.423	50	20	DDGD	
CC[C@@H]1CCC[C@H](NC(=O)NNC(=O)[C@@H](C)OCCOC)C1	748634032	VENSTRHPVRXGDE-UPJWGTAASA-N	315.414	1.337	50	20	DDGD	
COc1ccc(CCC(=O)NN=C[C@@H](OC)[C@@H]2CCOC2)cc1	841620871	LZIHEWTVYMIPFK-GDBMZVCRSA-N	320.389	1.781	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1C[C@@H](OCC(C)C)C1(C)C	748260044	OTUZPAVHGRVVHR-TZMCWYRMSA-N	314.426	1.981	50	20	DDGD	
CCCCC[C@@H]1CCCN1C(=O)NNC(=O)c1ncccn1	841592454	QKPZCVJJPWEAPG-GFCCVEGCSA-N	305.382	1.876	50	20	DDGD	
CO[C@@H](C=NNC(=O)COc1cc(C)ccc1C)[C@H]1CCOC1	841607309	VJMIOTKVWDOTFH-HOCLYGCPSA-N	320.389	1.836	50	20	DDGD	
CC(=O)NNC(=O)c1cccc(-n2nccc2C(F)(F)F)c1	749260220	BWTSYZZFGKXRQO-UHFFFAOYSA-N	312.251	1.672	50	20	DDGD	
O=C(CN1CSCC1=O)NNc1ncccc1C(F)(F)F	740101155	YYLNMLPFNLBXMX-UHFFFAOYSA-N	320.296	1.076	50	20	DDGD	
CC(=O)N1CC[C@@](C)(C(=O)NNc2ccc(F)c(F)c2F)C1	746882569	JCKGGIZFFIUZTP-CQSZACIVSA-N	315.295	1.806	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1nccn2ccnc12)c1ccccc1	743349915	VZSRJQUMSPRFRS-CYBMUJFWSA-N	323.356	1.684	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cn1ccc2ccc(F)cc21	843657296	GRIAWMIZLOUMRR-GXFFZTMASA-N	319.336	1.353	50	20	DDGD	
CC(CCc1ccco1)=NNC(=O)N[C@H]1CCS(=O)(=O)C1	920383489	FMOYBYNSOYCKIY-NSHDSACASA-N	313.379	1.074	50	20	DDGD	
Cc1nc(C)c(S(=O)(=O)NNC(=O)NC2CCCC2)s1	751212791	LPUMNHKTBMDLAD-UHFFFAOYSA-N	318.424	1.195	50	20	DDGD	
O=C(NN=C1CCc2ccccc2C1)N[C@@H]1CCS(=O)(=O)C1	920383160	CBHPNJUBUFYKPV-CQSZACIVSA-N	321.402	1.018	50	20	DDGD	
O=C(CCc1ccncn1)NNC(=O)c1cc2c(s1)CCC2	755314065	WAKDNHOYKKMWIM-UHFFFAOYSA-N	316.386	1.421	50	20	DDGD	
CCOc1ccccc1C(=O)NNC(=S)N[C@H](C)C1CC1	855102008	FQIHNCGHDAKEFT-SNVBAGLBSA-N	307.419	1.993	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)[C@@H]1CCCS1(=O)=O	928337419	CVLMONGLRHGQHI-NSHDSACASA-N	302.783	1.669	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H]2CCN(C)C(=O)C2)ccc1C	857268101	XRHNNCCKXHOSTO-NSHDSACASA-N	319.361	1.093	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1ccccc1O)[C@@H]1CCCO1	756736115	ANMMRCAYYTZUKJ-YPMHNXCESA-N	307.350	1.294	50	20	DDGD	
CO[C@@H]1COCC[C@@H]1CNC(=O)NNc1ccc(F)c(F)c1	922694872	BPISNUGOWJTGEU-NOZJJQNGSA-N	315.320	1.642	50	20	DDGD	
CCCn1nccc1C=NNC(=O)COc1ccccc1OC	853264858	UNZNSXGJNZCRKZ-UHFFFAOYSA-N	316.361	1.831	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@H]1CC[C@H](C)CC1	854285996	KYPVPYDWDNBSPE-HAQNSBGRSA-N	301.456	1.687	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccncc2)cc1OC	755374553	VHZUMIMIZKBSNJ-UHFFFAOYSA-N	316.317	1.565	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(-c2ncco2)ccc1C	757784099	RGGRAJVKGSKWQL-UHFFFAOYSA-N	304.306	1.449	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cc(OC)ccc1OC	929186614	CVFZODXZXDNCEC-UHFFFAOYSA-N	305.334	1.660	50	20	DDGD	
COC[C@@H](C)CC(=O)NNc1ccccc1S(C)(=O)=O	755802358	VQKIFAQBYOGCTP-JTQLQIEISA-N	300.380	1.206	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)CCc1c(F)cccc1F	859151862	JISXJUCZGYUFTJ-UHFFFAOYSA-N	308.306	1.040	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1ncc(Cl)cn1)C(F)(F)F	856864883	QNYOKXMRLPTIOR-LURJTMIESA-N	313.667	1.333	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@@H](CO)CC2CC2)C[C@@H]1Br	856960844	UQGVBKWUVHWJTA-GMXVVIOVSA-N	319.243	1.868	50	20	DDGD	
CCn1ccnc1[C@H](C)NC(=O)NNc1ncc(Cl)cn1	856912739	QVYMBFOKLOLGCY-QMMMGPOBSA-N	309.761	1.734	50	20	DDGD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NNc1ncc(Cl)cn1	857356341	XUEQGLYHIWTPOA-WPRPVWTQSA-N	300.746	1.157	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1cc2c(nc1O)CCC2	757420329	YFOANRGHSLYLLJ-UHFFFAOYSA-N	304.737	1.503	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21	929451329	WIGMVMJXDPPZPH-OPTZYUCBSA-N	324.384	1.696	50	20	DDGD	
CC(=NNC(=O)c1cn(C)nn1)[C@@H]1C[C@H](CC(=O)O)C1(C)C	853383167	QTRJVXRNVWWGQY-ZJUUUORDSA-N	307.354	1.058	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)[C@@H](O)C3CC3)cc2C1	854242054	ZNMDRLRRIDGJCC-SDBXPKJASA-N	308.403	1.405	50	20	DDGD	
CC(C)CC[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1cn[nH]c1	858183342	CJKXHSALVGJNRY-WCQYABFASA-N	307.398	1.959	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1cn[nH]c1)c1ccc(C)cc1	858703708	ASEBISDAWSUHJY-ZDUSSCGKSA-N	301.350	1.813	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNc1ccc([N+](=O)[O-])cc1F	855622605	HVWKMPIHPAFCCS-SNVBAGLBSA-N	303.315	1.291	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(-n3cccn3)nc2)o1	752523414	VSIHCUYWIIUJIZ-UHFFFAOYSA-N	311.301	1.244	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCC(=O)N1CCCC1	750665715	CZNSQSSNJARSIQ-LCYFTJDESA-N	300.314	1.465	50	20	DDGD	
CCC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccn(C)n1	758123274	GLFYDDPMCLUCLO-UHFFFAOYSA-N	317.305	1.578	50	20	DDGD	
CN(Cc1nccn1C)C(=O)NC[C@]1(C)C[C@@H]1Br	856954762	SYCAFBCGTNQVOD-CABZTGNLSA-N	315.215	1.735	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cc2c(s1)CCCCC2)N(C)C	750015435	ZLTRQYFABGVBOE-JTQLQIEISA-N	309.435	1.728	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cccc(C#N)c2)sn1	756857022	NIZKPLUCOLISOK-UHFFFAOYSA-N	301.331	1.790	50	20	DDGD	
O=C(Cn1ccnc1C1CC1)NNC(=O)c1ccc(F)cc1	863385730	KNQCLYPUVFAENQ-UHFFFAOYSA-N	302.309	1.361	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	862288206	AWIQXZXFAFSFQA-MJBXVCDLSA-N	316.357	1.901	50	20	DDGD	
CCc1c(C(=O)N(C)NC(=O)OCc2ccccc2)cnn1C	862286995	LREYFYXUNSGPRC-UHFFFAOYSA-N	316.361	1.896	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)c1ncoc1C	762351176	RQXNJKVFNXJWJM-UHFFFAOYSA-N	321.358	1.545	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@H]1CCSC1	762443676	WQZIWPZBCNGJNW-JTQLQIEISA-N	309.391	1.008	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)C2CCCC2)Oc2ccccc2NC1=O	864845187	MWQYQRCBQSQEAF-MRXNPFEDSA-N	317.345	1.114	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NC[C@@H]1CN2CCC[C@@H]2CO1	866675918	TVQJDYOPAFNDEN-VXGBXAGGSA-N	324.874	1.034	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCCN2C(C)C)c1	935298681	OTHWOMGYUAXEMU-CQSZACIVSA-N	305.378	1.789	50	20	DDGD	
C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1cccc(B(O)O)c1	867294306	BLTKGYLOGDMMNI-GXSJLCMTSA-N	315.100	1.169	50	20	DDGD	
CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)c1cn[nH]c1	862473350	OJAGBTSGRHUSLB-NSHDSACASA-N	316.361	1.763	50	20	DDGD	
O=C(CCC1(O)CCC1)NNC(=O)Cc1c[nH]c2ccccc12	864492156	IRVZYTNEIFMYSC-UHFFFAOYSA-N	315.373	1.553	50	20	DDGD	
COCC(=O)NN=C(C)c1ccc(N2CCOCC2)c(F)c1	761817001	IPUYSJZBKLAZJK-UHFFFAOYSA-N	309.341	1.149	50	20	DDGD	
COc1cc(F)ccc1S(=O)(=O)NCC(Cl)Cl	867468618	LRVZMDXCHYTQDH-UHFFFAOYSA-N	302.154	1.916	50	20	DDGD	
CNC(=O)c1ccc(C(=O)NNc2cc(C)ccc2F)cn1	760137847	ZEDQOOMCKRQOFQ-UHFFFAOYSA-N	302.309	1.646	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN1C1CCCC1)NC1CCCCC1	864392416	NMOYPPICBDXDOW-CQSZACIVSA-N	308.426	1.666	50	20	DDGD	
Cc1cccc(NNC(=O)C(=O)Nc2ccnn2CC2CC2)n1	861959799	ICTDFQCXUAZBPU-UHFFFAOYSA-N	314.349	1.078	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@H]32)nc1	860446367	RDPAGBNBPQAQFV-FVQBIDKESA-N	323.352	1.897	50	20	DDGD	
COc1cccc2cc(C(C)=NNC(=O)CS(C)(=O)=O)oc12	863188875	QQHGMUBNLJGXCP-UHFFFAOYSA-N	324.358	1.326	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccc(C2=CCCC2)cc1	869903319	BIMJAENRQPIWJB-UHFFFAOYSA-N	318.373	1.678	50	20	DDGD	
C[C@H](Cn1ccnc1)NC(=O)NNc1ncnc2ccsc12	764496450	URJVAXPKRZXQMP-SECBINFHSA-N	317.378	1.603	50	20	DDGD	
CCCOc1cc(C)ccc1NC(=O)C(=O)NNC(=O)CC	763440802	AMNIEZDSGZEDDF-UHFFFAOYSA-N	307.350	1.280	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)Nc2cccc(C3CCC3)c2)N1	861134922	GEWNZWAHWFYFQM-ZDUSSCGKSA-N	316.361	1.385	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)C(=O)NNC(=O)c1ccccc1Cl	1117931055	BJSAXAGTLUIQLV-SNVBAGLBSA-N	320.780	1.713	50	20	DDGD	
COc1ccc(CNC(=O)NNc2nccc(OC)n2)c(C)c1	767138447	QZZOADOLMZGNJK-UHFFFAOYSA-N	317.349	1.629	50	20	DDGD	
CC(Cc1cccc(C)c1)=NNC(=O)[C@@H]1CCS(=O)(=O)C1	872339416	KBPOFIHMBKXXON-CQSZACIVSA-N	308.403	1.464	50	20	DDGD	
CC[C@H](C)[C@@H](NC(=O)NNC(=O)Cc1cc[nH]n1)C(F)(F)F	772537477	MEVGGZHWMMTPRS-OIBJUYFYSA-N	321.303	1.260	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc(S(C)(=O)=O)c1)C1CCC1	776624996	HQCYXDGKNVEKMX-SNVBAGLBSA-N	311.407	1.905	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874951603	PNFOJVDBCBGJSD-STQMWFEESA-N	322.434	1.495	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1ccc(C#N)cc1F	772839187	PXLKQMGMPWTWSC-GFCCVEGCSA-N	318.352	1.116	50	20	DDGD	
CCOc1ccc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC)cc1	771889444	KTONWIUKOLOYIS-JTQLQIEISA-N	308.334	1.188	50	20	DDGD	
C=C[C@@H](CC(=O)O[C@@H](C)C(=O)NNC(=O)CC)c1ccccc1	772221776	UCPWSIYEYHBOIW-STQMWFEESA-N	318.373	1.835	50	20	DDGD	
N#CCc1ccccc1CC(=O)NNC(=O)c1ccccc1O	776969314	BXGFJHGFRDHBBK-UHFFFAOYSA-N	309.325	1.462	50	20	DDGD	
C=CCCC[C@@H](C)NC(=O)NNc1nc(O)c2cnn(C)c2n1	776084169	JHYQTQXZNXLFOW-SECBINFHSA-N	319.369	1.440	50	20	DDGD	
CON(C)C(=O)c1ccc(NC(=O)NNc2cnccn2)cc1	770030103	FYGTXHSNGQRFGY-UHFFFAOYSA-N	316.321	1.259	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)NCCc2cccs2)CCO1	776343180	RHAQNCMUENBROV-WDEREUQCSA-N	311.407	1.436	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)C(=O)Nc1ccc(C)cc1	770597741	ZZEGDLRUFZOGIC-UHFFFAOYSA-N	313.361	1.380	50	20	DDGD	
O=S(=O)(CCCCCl)N(CCO)CCc1ccccc1	780794338	KSUIVFOLVXDYEL-UHFFFAOYSA-N	319.854	1.872	50	20	DDGD	
N#Cc1ccc(CN2CCC(=NNC(=O)C(F)F)CC2)cc1	782234441	FXLLUGGMCIEQQN-UHFFFAOYSA-N	306.316	1.891	50	20	DDGD	
CCC[C@H](CCCS(C)(=O)=O)C(=O)NNC(=O)CC(C)C	789889146	GQVSZYQZROWPGR-GFCCVEGCSA-N	320.455	1.421	50	20	DDGD	
Cn1nccc1NC(=O)C(=O)NNc1ccc(C#N)c(Cl)c1	785091440	DNHUZODARUJRNM-UHFFFAOYSA-N	318.724	1.027	50	20	DDGD	
COC1(C(=O)NNC(=O)c2cc3c(s2)CCC3)CCOCC1	785689260	MLLLJOGKRWKCIA-UHFFFAOYSA-N	324.402	1.193	50	20	DDGD	
C[C@@H](Sc1nncn1C)C(=O)NNc1cc(F)ccc1F	885144361	BCDKLZSQCBNZBS-SSDOTTSWSA-N	313.333	1.717	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNc1oc(C(C)C)nc1C#N	786844865	GRNRWOFVADRTIQ-UHFFFAOYSA-N	302.338	1.695	50	20	DDGD	
COCCOc1ccc(S(=O)(=O)N2CC=C(C#N)CC2)cc1	780929179	VNIAPLZBTAXINZ-UHFFFAOYSA-N	322.386	1.556	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)CO1	784017699	MACDYQCKCGIMTO-MXWKQRLJSA-N	310.325	1.165	50	20	DDGD	
Cc1nc(Cl)ccc1NC(=O)NNC(=O)c1cnccn1	788810278	QKHNXSJTFOVQCC-UHFFFAOYSA-N	306.713	1.300	50	20	DDGD	
COC(=O)CCCOC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	783119097	FDOCNZAKTYXAIA-QPEQYQDCSA-N	315.329	1.609	50	20	DDGD	
COc1ccccc1NCC(=O)NN=Cc1c(Cl)cnn1C	780195205	SGSFVKDOGPIHFO-UHFFFAOYSA-N	321.768	1.644	50	20	DDGD	
COc1ccc(C(=O)c2ccccc2C(=O)NNC(C)=O)cc1	781417356	FWNAFIMMQZSTNH-UHFFFAOYSA-N	312.325	1.707	50	20	DDGD	
C/C=C(\CC)C(=O)NNC(=O)c1nnc(O)c2ccccc12	789735616	QHINZRJVNHZFKF-YCRREMRBSA-N	300.318	1.453	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)Cc3cccnc3)cc2n1C	793423109	GLTYNUQUWVQMKN-UHFFFAOYSA-N	323.356	1.280	50	20	DDGD	
Cn1cnc(C=NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c1	794524854	PGBYZNQIAUCYIA-UHFFFAOYSA-N	312.308	1.713	50	20	DDGD	
Cc1c[nH]nc1C(=O)NNC(=O)CCSc1ccc(F)cc1	799409136	NMPBCTRBBIIDDE-UHFFFAOYSA-N	322.365	1.801	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)c2cccc3cccnc23)cnn1C	794261374	NFXKYIWOAUWEIO-UHFFFAOYSA-N	323.356	1.280	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)Cn1ccc2ccccc21)C1CC1	791572402	FIYJUVNKAXHVBA-OAHLLOKOSA-N	301.346	1.214	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1cn2c(n1)CCCC2	799334015	CVINJHIDOHBLFA-UHFFFAOYSA-N	316.336	1.362	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cc(F)ccc1-n1cccn1	793259972	WTTXSSIPQOQBGR-UHFFFAOYSA-N	305.313	1.364	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2n[nH]cc2C)cc1C	799410579	VEJCUBBSAYMOIB-UHFFFAOYSA-N	303.391	1.966	50	20	DDGD	
COc1cc(C)c(/C=C(/C#N)S(=O)(=O)N(C)C)cc1OC	794957420	PYGKHYSVMAKQKB-GHXNOFRVSA-N	310.375	1.768	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CNc2ccccc2)cc1C#N	799831468	JGLWBJUHXKZIHT-UHFFFAOYSA-N	308.341	1.740	50	20	DDGD	
COc1ccccc1NCC(=O)NN=Cc1c(C)cnn1C	794866083	PFIKAHSZBCVVQY-UHFFFAOYSA-N	301.350	1.299	50	20	DDGD	
CC[C@@H](CN1CCCC1)NC(=O)NNC(=O)c1cccc(C)n1	793094302	UZBGLQLTQZYKJC-ZDUSSCGKSA-N	319.409	1.208	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)NCCCOC)[nH]c1C	799477417	AKOIKDXKSYYLRH-UHFFFAOYSA-N	310.354	1.169	50	20	DDGD	
Cc1oc(C#N)cc1C(=O)NNc1ccccc1S(C)(=O)=O	797940903	VECHEVDIEGHZHH-UHFFFAOYSA-N	319.342	1.620	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2ccccc2Cl)cnn1C	1317873373	KHGKPFYRAIDSQR-UHFFFAOYSA-N	306.753	1.711	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cccc(N2CCCC2)c1	1327754160	GGHXYBYQDDPTEG-UHFFFAOYSA-N	306.435	1.804	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2occ3c2CCOC3)cc1	1322407696	MBYUUYJNYNFTFD-UHFFFAOYSA-N	316.313	1.436	50	20	DDGD	
O=C(NNc1cncc(Br)c1)[C@@H](O)c1cccnc1	1327890329	NLLWROPZSGHYGV-NSHDSACASA-N	323.150	1.416	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc2c(nc1O)CCC(C)(C)C2	1324246704	GGMFAGIJQUVCKX-UHFFFAOYSA-N	306.366	1.266	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCCCOC(C)C)cc1	1320281638	FLFGDINUIDCJOA-UHFFFAOYSA-N	323.393	1.844	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@@H]2CCC(=O)c3cccn32)c1Cl	1321430297	RQDVZFVNFCRVIE-VIFPVBQESA-N	320.740	1.175	50	20	DDGD	
CS[C@H](C)C(=O)NNC(=O)c1cncn1-c1ccccc1	1321816212	AHBOYZCTUWGSCA-SNVBAGLBSA-N	304.375	1.385	50	20	DDGD	
CC(C)=CCNC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1329528567	SLRUTONOFSCNSV-BXKDBHETSA-N	303.200	1.359	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccccc1OCc1ccncc1	1323497300	UKNLFIXLLPGBJU-UHFFFAOYSA-N	313.313	1.284	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1cnc(C2CC2)[nH]1	1320175733	HVOFUGCRIIGARO-UHFFFAOYSA-N	312.255	1.853	50	20	DDGD	
COC(=O)c1ccc(N2CCN(C(=O)CCl)[C@@H](C)C2)cc1	1324706554	MUNFYQMPNJAKMK-NSHDSACASA-N	310.781	1.749	50	20	DDGD	
CC(C)COC(=O)N1CCC(=NNC(=O)C[N+](C)(C)C)CC1	1324460000	ORCBIZNRFVZQDK-UHFFFAOYSA-O	313.422	1.053	50	20	DDGD	
C=C[C@@H](COC)NC(=O)NNC(=O)COc1cc(C)cc(C)c1	1338162680	IHXZMENWARTUHV-ZDUSSCGKSA-N	321.377	1.214	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](C)Cc2c(C)n[nH]c2C)nc1	1338549060	OBQOKDUZOQNHHE-SECBINFHSA-N	303.366	1.752	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cc(C)ncn2)cc1OC	1261232860	WJKOLGZOUQHADA-UHFFFAOYSA-N	300.318	1.566	50	20	DDGD	
Cc1nc(N(C)C)sc1C(=O)NNc1ncc(Cl)cn1	1334788317	VCYLWHOHKVGSSM-UHFFFAOYSA-N	312.786	1.718	50	20	DDGD	
CN1CCC2(CC1)CC(=NNC(=O)CCO)c1ccccc1O2	1341146481	XOFWULAEJQYRDA-UHFFFAOYSA-N	317.389	1.136	50	20	DDGD	
O=C(NNS(=O)(=O)c1cnc(Cl)cc1Cl)C1CCC1	1341894112	OHZLFOZXFKOKHJ-UHFFFAOYSA-N	324.189	1.498	50	20	DDGD	
CO[C@@H]1CC[C@@H](NC(=O)NNc2ccc([N+](=O)[O-])cc2F)C1	1350516660	QZIFDSBFVOYKSQ-PSASIEDQSA-N	312.301	1.928	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CCCCN1Cc1cccc(F)c1	1520164021	ICNLVIQWKKYGMZ-AWEZNQCLSA-N	323.368	1.910	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)CC1(C(=O)O)CCCCC1	1609690411	CQHLPLYCNPHNRQ-UHFFFAOYSA-N	320.411	1.018	50	20	DDGD	
CC(C)CCCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	1603277930	WTEWXATYEGUGSQ-UHFFFAOYSA-N	316.365	1.454	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H]1C[C@@H](C(=O)O)c2ccccc21	1605619140	TYNZMZNXLHZPGL-HOQBHHMFSA-N	300.314	1.860	50	20	DDGD	
COC[C@H](NC(=O)NNc1cccc(C(=O)O)c1C)C(C)C	1606807413	KYHBHEPFJMBGNV-ZDUSSCGKSA-N	309.366	1.990	50	20	DDGD	
CO[C@@H](C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1)C(C)C	1604993651	LWNBLCDFKZEIHN-SECBINFHSA-N	323.357	1.092	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)c(F)c1)NOC/C=C/Cl	1601555173	VUXFROGTTPIBRQ-DAFODLJHSA-N	303.677	1.834	50	20	DDGD	
CC[C@@H](CNS(=O)(=O)c1ccc(CCCl)cc1)C(=O)O	1609921312	UYUHMTSOFSNROL-NSHDSACASA-N	319.810	1.857	50	20	DDGD	
O=C(O)c1cncc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)c1	1608980297	UPOLRFDEHNXPPO-UHFFFAOYSA-N	324.296	1.378	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccc2[nH]nc(C(=O)O)c2c1	1601247625	ADZCISTVOWDENY-UHFFFAOYSA-N	317.305	1.214	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)/C=C\[C@@H]1CCCO1	1610287982	SEEHVFPLGLNENO-XOIDGJRKSA-N	306.318	1.572	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)ccc1C(=O)O	1610473680	NQYATKXDMXTPHF-CABZTGNLSA-N	321.333	1.271	50	20	DDGD	
Cn1cc([C@H]2OCCC[C@@H]2C=NNC(=O)c2cc[nH]n2)cn1	1552454055	VGAHDDYYAPNIEI-MFKMUULPSA-N	302.338	1.027	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)c1ccccc1Cl)C(=O)O	1573798092	OWJIWFBHNFLVOM-MRVPVSSYSA-N	313.741	1.395	50	20	DDGD	
C=C(CCC(=O)OC)C(=O)NNc1cccc(C(=O)O)c1C	1573339171	PLAKWHBTKXLVGO-UHFFFAOYSA-N	306.318	1.646	50	20	DDGD	
C=C(CBr)n1cc(CN2CCC[C@H]2C(=O)O)nn1	1588605860	PSEBJVGAHKNVIA-JTQLQIEISA-N	315.171	1.193	50	20	DDGD	
CC(C)[C@@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843362386	RMUOSQOZUTUOGA-NXEZZACHSA-N	322.833	1.679	50	20	DDGD	
CCCC(=O)N1CC2(CCCN2C(=O)[C@H](F)Br)C1	1845216635	BGWTUTHDPTYPHT-JTQLQIEISA-N	321.190	1.680	50	20	DDGD	
O=C(O)[C@@]1(C(=O)NNc2cccc(F)c2Cl)CCCO1	1594867385	MNMMIXRETQMJTL-LBPRGKRZSA-N	302.689	1.556	50	20	DDGD	
Cc1cccc(NNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)c1Cl	1592235187	GGJYFKHTQHMWHD-UHFFFAOYSA-N	317.740	1.914	50	20	DDGD	
C[C@@H]1CNCC[C@H]1NC(=O)NNc1ccc(F)c(C(=O)O)c1	1594584929	POPUPWJKOZIXHV-PRHODGIISA-N	310.329	1.148	50	20	DDGD	
CCOc1ccccc1C(=O)NNc1ccc(C(=O)O)cn1	1597168174	KZNJCEKBQVQUJB-UHFFFAOYSA-N	301.302	1.935	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H](F)C(F)(F)F	1593166036	RHWSBYSOMZKOLU-SSDOTTSWSA-N	304.207	1.210	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=Cc1c(C)ccc(OC)c1C(=O)O	1776102079	GMMNYAZXXMJANE-ZWNOBZJWSA-N	320.345	1.577	50	20	DDGD	
COC(=O)NNC(=O)CCc1nc(-c2ccc(C)c(F)c2)no1	158816018	VVHGDAZMKAUHSO-UHFFFAOYSA-N	322.296	1.504	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CN(C)C)cc1Cl	155519185	AJLAMEMAFYEGBX-UHFFFAOYSA-N	300.746	1.063	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1cc(F)c(F)c(F)c1	157706951	BKYUCJJFFOSHSG-UHFFFAOYSA-N	311.285	1.006	50	20	DDGD	
COc1ccc(OCCC(=O)NNc2ncc(F)cn2)cc1	157752937	NHMLYVAIHDWMBN-UHFFFAOYSA-N	306.297	1.537	50	20	DDGD	
CC(C)CC(=O)N1CCC(NC(=O)NNc2ccccn2)CC1	157845214	MEPUFVHARVTKEQ-UHFFFAOYSA-N	319.409	1.745	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@H](C(=O)NNc2ccc(C#N)cc2)C1	155499222	GGUSGVZDKBGJKF-QWHCGFSZSA-N	301.346	1.981	50	20	DDGD	
CCCNC(=O)C1(NC(=O)/C(C#N)=C/OCC)CCCCC1	159330551	LWOJPIMPMVGZHK-OUKQBFOZSA-N	307.394	1.776	50	20	DDGD	
CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)CCl)CC1	830134562	QNGQVGWFYNHTGY-UHFFFAOYSA-N	312.819	1.455	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNC(=O)COc1cc(C)ccc1C	7697829	VELJXSWLGQUEMW-UKTHLTGXSA-N	317.345	1.274	50	20	DDGD	
Cc1cc(C)c(CNC(=O)NNC(=O)[C@@H]2CCCO2)c(C)c1	57632141	ZOLCLGNYVOXMHX-AWEZNQCLSA-N	305.378	1.621	50	20	DDGD	
Cc1ccc(NNC(=O)NCCC(=O)N2CCCCCC2)nn1	106268377	LFMFSJWJJXMRRO-UHFFFAOYSA-N	320.397	1.204	50	20	DDGD	
COC(C)(C)C[C@H](C)NC(=O)NNc1cncc(Cl)n1	175967934	CUWHWCBABCLYHK-QMMMGPOBSA-N	301.778	1.960	50	20	DDGD	
N#C/C(=C/c1csnn1)C(=O)N(CC(F)(F)F)C1CC1	112224899	YBHJFCYRCYUHSN-CLTKARDFSA-N	302.281	1.998	50	20	DDGD	
CCCCOCC(=O)NNC(=O)CNc1ccc(C)cc1C	118493090	YAPRBJHPZUWKPK-UHFFFAOYSA-N	307.394	1.679	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)c2cccc3ncccc23)cn1	106814392	AJEXJIUTAIQSLN-UHFFFAOYSA-N	320.352	1.942	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1ccccc1OC(F)F	118530591	LGOAPRTZMCNQIB-UHFFFAOYSA-N	315.345	1.512	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cnn(CC)c1)c1ccccc1	114274469	ZKIRCSJYZXMGBT-AWEZNQCLSA-N	300.362	1.858	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1csc2c1CC[C@H](C)C2	109858822	USFNHHQQWZMTJT-QMMMGPOBSA-N	318.402	1.979	50	20	DDGD	
C[C@H]1CCCC[C@@H]1N(C)CC(=O)NNC(=O)c1ccccc1	119981553	DAZUGGHMUPNQNY-ZFWWWQNUSA-N	303.406	1.958	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1	178957452	URFHUZXEIXGIHN-MBFWDRTGSA-N	305.378	1.195	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCC(=O)Nc1cccc2cccnc12	178962776	XGSVKDYMUJKCOR-ACCUITESSA-N	324.340	1.733	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNC(=O)COc1ccc(C)cc1	104202584	AVEWUEHZDYEAQF-HNNXBMFYSA-N	319.405	1.396	50	20	DDGD	
CCc1cc(NNC(=O)[C@@H]2CCCO2)nc(-c2ccccn2)n1	115156547	PCRFMOOUZDPVCO-ZDUSSCGKSA-N	313.361	1.723	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(NS(C)(=O)=O)cc1	23608090	UFANOAFOBAKKLE-KTKRTIGZSA-N	309.347	1.441	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2ccn(CCN(C)C)n2)n1	179879420	GEYQNRLSIBMJEC-UHFFFAOYSA-N	318.385	1.000	50	20	DDGD	
CC(C)(CCS(C)(=O)=O)NS(=O)(=O)CCCCCl	154471301	KAAVKQBUTOATRS-UHFFFAOYSA-N	319.876	1.138	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1C[C@]12CCCc1ccccc12	173363557	NMWDDRTXUPBEAI-YOEHRIQHSA-N	315.442	1.962	50	20	DDGD	
O=C(NNC(=O)c1c(F)c(F)cc(F)c1F)c1ccncc1	177453555	MGHVIYNBZKQDSD-UHFFFAOYSA-N	313.210	1.713	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@@H]2C[C@@H]2C2CC2)cc1	175873986	HWPVULAAWTURSS-ZIAGYGMSSA-N	303.362	1.301	50	20	DDGD	
COCCCNC(=O)N/N=C1\C(=O)Nc2c(F)cc(C)cc21	64923181	SIUZOLJBHIBPQY-UHFFFAOYSA-N	308.313	1.126	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccc(-c2ccccc2)s1	172160308	AVDYPZKJCSAHKC-UHFFFAOYSA-N	303.387	1.738	50	20	DDGD	
Cc1occc1C(=O)NNC(=O)CSc1ccccc1O	125580174	QYNKNMHDELGBGZ-UHFFFAOYSA-N	306.343	1.847	50	20	DDGD	
Cc1cc(F)ccc1-n1ccc(C(=O)NNc2cnccn2)n1	128471102	ONCYZFNCUWWGIP-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NNc1ncccn1	123986128	VCOWWTCTAINXQG-LLVKDONJSA-N	319.390	1.436	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCc2c(C)n[nH]c2C)cc1	78308303	NSWROVLBJNCPMU-UHFFFAOYSA-N	314.389	1.983	50	20	DDGD	
CNS(=O)(=O)c1cccc(C(=O)NNc2ccc(C)cc2)c1	124100412	LGFCZOGPTCLIPK-UHFFFAOYSA-N	319.386	1.660	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(O)nc(C(C)C)c2)o1	181534912	WMPDCWVIZPFRBH-UHFFFAOYSA-N	303.318	1.887	50	20	DDGD	
O=C(NNC(=O)c1cc(F)c(F)c(O)c1F)c1ccncc1	184780522	CYBFCSHEOOUXRT-UHFFFAOYSA-N	311.219	1.279	50	20	DDGD	
Cc1cc2c(cc1C)[C@H](C(=O)NNC(=O)c1cccn1C)CO2	184865863	WOIUIICBNCYSNO-CYBMUJFWSA-N	313.357	1.579	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1csc2ccccc12	186115136	DMTXQSJEYSTXMY-UHFFFAOYSA-N	300.343	1.628	50	20	DDGD	
CC(C)Oc1ccccc1NC(=O)C(=O)NNc1ccccn1	181404361	QMRFSSNONYPVNH-UHFFFAOYSA-N	314.345	1.951	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)COc1ccccc1C#N)C1CCC1	127897682	VZBOQQIFAPTSPN-NSHDSACASA-N	316.361	1.456	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)Cc1ccccc1F)[C@H]1CCCO1	133148641	CKSIFRXJOQXOSZ-UONOGXRCSA-N	323.368	1.656	50	20	DDGD	
C[C@H](SCC(=O)NNC(=O)c1ccccc1Cl)[C@@H](C)O	79050093	ICMAALSIXNBVIQ-BDAKNGLRSA-N	316.810	1.604	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NC1CCCCC1	46704872	OKCXHPLZAKZNMU-UHFFFAOYSA-N	315.377	1.919	50	20	DDGD	
COCc1ccccc1C(=O)NNC(=O)c1ccc(C)cc1O	130083760	XNPOHBLGZZFKKA-UHFFFAOYSA-N	314.341	1.922	50	20	DDGD	
CC(C)CN1N=C(C(=O)NNc2ccnc(F)c2)CCC1=O	135532740	BVVQXGUSGAGIOI-UHFFFAOYSA-N	307.329	1.298	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)[C@H](CO)C(C)(C)C)cc1	134368547	VWAWUKVDAOIGEL-CQSZACIVSA-N	321.421	1.095	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2ccccc2OC(F)(F)F)N1	190184126	OEZLKHQXDKVJDM-QMMMGPOBSA-N	303.240	1.307	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCCCC2)c1cnns1	47817123	QAPJMHRWRFETQS-UHFFFAOYSA-N	322.415	1.943	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1ccc(C(F)(F)F)cn1	132184741	VEPDGCGBICUGCI-SECBINFHSA-N	321.299	1.985	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NNc1ccc(Cl)c(F)c1	130467072	XYGUKFSMRWXKEN-SNVBAGLBSA-N	302.737	1.759	50	20	DDGD	
CNC(=O)NCC(=O)NN(Cc1ccccc1)c1ccccc1	89566969	RHBBYBNJAPMLDP-UHFFFAOYSA-N	312.373	1.653	50	20	DDGD	
CC(C)CC(C)(C)CNC(=O)NNC(=O)C(=O)N1CCCC1	83750939	IFMCHGVSDSFBLS-UHFFFAOYSA-N	312.414	1.012	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1C(=O)c1cccs1)C1CCC1	264776593	PIQMJBMGYGPOMO-NSHDSACASA-N	321.402	1.300	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)C(=O)C(C)(C)C	266828850	MGTFRNIHIOUXQE-UHFFFAOYSA-N	312.753	1.725	50	20	DDGD	
Cc1ccc(C#N)cc1S(=O)(=O)NNC(=O)NC1CCCC1	265247134	JMOUKBWVEGJSMU-UHFFFAOYSA-N	322.390	1.302	50	20	DDGD	
O=C(NNc1ncccn1)c1ccc(OC2CCOCC2)cc1	266120057	VXYNNFJKIDPORO-UHFFFAOYSA-N	314.345	1.791	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H](C)[C@@H]1CCOC1	266450235	AWSXRPZUUQWGJK-WDEREUQCSA-N	307.350	1.064	50	20	DDGD	
C[C@@H]1OCCN(C(=O)NNC(=O)C(C)(C)c2ccccc2)[C@H]1C	268896035	LJSAAAMBNCNNRM-STQMWFEESA-N	319.405	1.814	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1)[C@H]1CCCCS1(=O)=O	275093902	IQRFFYIERAPWCG-LLVKDONJSA-N	302.783	1.750	50	20	DDGD	
CCc1nc(CC(=O)NNC(=O)c2cccc(C)n2)cs1	279901171	ZQSGMNGMCMJMCK-UHFFFAOYSA-N	304.375	1.413	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc(F)ccc1F	276637807	XHAMJEOJTUUUTD-UHFFFAOYSA-N	316.304	1.515	50	20	DDGD	
C=C(CBr)CN1CCC(N2CCNC2=O)CC1	279493407	PNBQCWPJJDTMDG-UHFFFAOYSA-N	302.216	1.427	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(C(C)=O)cs1	271487427	XBIZOKRCPAHKPA-UHFFFAOYSA-N	317.461	1.423	50	20	DDGD	
O=C(NNC(=O)c1cnc(OCC2CC2)c(Cl)c1)NC1CC1	273084428	RKVNZCJRUAPXIM-UHFFFAOYSA-N	324.768	1.630	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNC(=O)c1ccc(OCC)c(OC)c1	278522270	CTGJBHNKYJFOCW-MRXNPFEDSA-N	322.361	1.182	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ccc(-n2nccn2)cc1	272353300	OWZXESWQCIDQNA-UHFFFAOYSA-N	300.322	1.220	50	20	DDGD	
CO[C@@H]1CCCN(C(=O)NNC(=O)COCc2ccccc2)C1	271306846	VWCDBYDTMNHWJJ-CQSZACIVSA-N	321.377	1.055	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@H](NC(=O)NNc2cncc(Cl)n2)C1(C)C	271941880	WPPGFIIGDHQKPI-PPKCKEKNSA-N	313.789	1.816	50	20	DDGD	
Cn1nc([C@H]2CCCOC2)cc1NC(=O)NNc1cnccn1	280138552	MEMYNZSCZGNJGS-JTQLQIEISA-N	317.353	1.253	50	20	DDGD	
COc1cccc(NNC(=O)NCc2ncnn2C(C)(C)C)n1	282820074	ZVUDEKMXENDDOV-UHFFFAOYSA-N	319.369	1.263	50	20	DDGD	
CC(C)S(=O)(=O)CCNC(=O)NNc1cc(Cl)ccn1	289411762	OSCLPKMZTWVGOF-UHFFFAOYSA-N	320.802	1.184	50	20	DDGD	
COC1(C(=O)NNc2ccc(C#N)c(Cl)c2)CCOCC1	286007862	HYWSQQJNUBHBKZ-UHFFFAOYSA-N	309.753	1.850	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)NCC(F)(F)F)ccc1C	281168256	IQWWUWPRZQKLBC-UHFFFAOYSA-N	317.267	1.704	50	20	DDGD	
CO[C@H](C)CN(C)C(=O)NNC(=O)Cn1ccc2ccccc21	805080012	YTTXGAPFPZJGSF-GFCCVEGCSA-N	318.377	1.349	50	20	DDGD	
COc1ccc(SCC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	295275977	CFLDMSOKCSOVCI-ZDUSSCGKSA-N	324.402	1.504	50	20	DDGD	
CC(C)OCCCNC(=O)/C(C#N)=C\c1cnc(N(C)C)nc1	296071430	XXABCLGOUNMPGC-ZSOIEALJSA-N	317.393	1.381	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NCC(=O)NCC#N)cc1	807552163	PQXCDYCGGJMFGM-UHFFFAOYSA-N	303.366	1.250	50	20	DDGD	
Cc1ccnc2nc(C(=O)NNc3nccnc3C3CCC3)nn12	805465299	ZTDXCEFIUMPBME-UHFFFAOYSA-N	324.348	1.247	50	20	DDGD	
CC1CCN(C(=O)C(=O)NNc2cnnc3ccccc23)CC1	802536704	KQEYINLJKBTVOV-UHFFFAOYSA-N	313.361	1.331	50	20	DDGD	
CCCc1nc(C)c(CNC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)o1	298095930	WJHILIBPNJWXSQ-ONGXEEELSA-N	324.381	1.333	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	296514735	ZQMDFNOSDSSWGH-LBPRGKRZSA-N	321.333	1.195	50	20	DDGD	
CC(C)(NC(=O)Nc1ccccc1)C(=O)NNC(=O)CC1CC1	294005704	AZBRDPRFFLBCCN-UHFFFAOYSA-N	318.377	1.534	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)NC[C@@H]2C[C@H]2C)cc1C	298743749	PGLNLLHHYXZMEQ-NEPJUHHUSA-N	318.377	1.228	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CC1CC1)c1ccc2c(c1)OCO2	294032437	DGHTXOPNTNZZNP-UHFFFAOYSA-N	304.346	1.640	50	20	DDGD	
O=C(NNc1ncccc1F)C(=O)Nc1nc2c(s1)CCC2	807301000	QADIAKUDVXKJLB-UHFFFAOYSA-N	321.337	1.248	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)NC[C@@H]1C[C@@H]1C	298726020	JZCNSVGBJFSKEG-IUCAKERBSA-N	311.769	1.949	50	20	DDGD	
N#Cc1ncn(CCNC(=O)NNc2ccc(Cl)c(F)c2)n1	807509753	YDRLNOHPKXEZAG-UHFFFAOYSA-N	323.719	1.269	50	20	DDGD	
C[C@H](CBr)COC(=O)[C@H]1CCc2nnn(C)c2C1	811345147	ODAUCWCZUSWUFD-BDAKNGLRSA-N	316.199	1.494	50	20	DDGD	
O=C(NNc1ncncc1F)c1csc([C@@H]2CCCO2)n1	817079677	ILJGJDILEOARTF-VIFPVBQESA-N	309.326	1.681	50	20	DDGD	
O=C(NNc1c(F)cccc1Cl)[C@@H]1CCc2nncn2C1	816163198	GMIPIYFFVWQERR-MRVPVSSYSA-N	309.732	1.776	50	20	DDGD	
Cc1ccc(CN2C[C@@H](C(=O)NN(C)C3CC3)CC2=O)cc1	819640617	BPQYDNDGDKNSJN-AWEZNQCLSA-N	301.390	1.469	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ccccc2)cn2ccnc12	815551026	HTFBLEIYOVRUFA-UHFFFAOYSA-N	309.329	1.725	50	20	DDGD	
CCNC(=O)NN=Cc1cn2ccc(Br)cc2n1	811639824	IJOWPDLIMUMPGK-UHFFFAOYSA-N	310.155	1.750	50	20	DDGD	
CC(Cn1cccn1)=NNC(=O)[C@@H](C)CN1CCCCCC1	814766610	MXIPIIJMXZCEOZ-AWEZNQCLSA-N	305.426	1.887	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=c1c(=O)c2cccc3cccc1c32	814954678	MQVOIESUFWLLQU-UHFFFAOYSA-N	304.309	1.127	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)c2ccccc2)C[C@@H](CC)O1	817152954	PLKXENIPAJLGAA-OKILXGFUSA-N	305.378	1.930	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1O)c1ccnc(F)c1	814952361	WLPOMLIGULMZLL-UHFFFAOYSA-N	303.293	1.846	50	20	DDGD	
C[C@](O)(C(=O)NNc1ncc(F)cn1)c1ccc(Cl)cc1	815881083	BYRTWASWUXZYCF-CYBMUJFWSA-N	310.716	1.620	50	20	DDGD	
CC(Cc1ccsc1)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	729637798	VMYGIGRIZKEJFA-LLVKDONJSA-N	315.420	1.153	50	20	DDGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](C(=O)O)C1	819090884	JRGOGCPFUAASOF-YQJFHSMKSA-N	303.274	1.245	50	20	DDGD	
CCOCCC(=O)NNC(=S)Nc1ccc(OCC)cc1	728207741	FONUFNSFRDPBJH-UHFFFAOYSA-N	311.407	1.830	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1Cc2ccccc2O1	826448374	SQTKZHDMUFWXAC-AWEZNQCLSA-N	322.328	1.314	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@H]2CC23CCSCC3)n1	828005783	ALJCYQUSJHSXRI-SSDOTTSWSA-N	313.814	1.689	50	20	DDGD	
COc1cc(C2(C(=O)NN(C)[C@H](C)CO)CCC2)ccc1C	823966012	XUAKLFCJXPUXFR-CYBMUJFWSA-N	306.406	1.769	50	20	DDGD	
COC(=O)Nc1ccccc1C(=O)NNC(=O)c1ccccc1	729257807	PRYIGNUINOAUPH-UHFFFAOYSA-N	313.313	1.940	50	20	DDGD	
CCOC1CC(O)(CNC(=O)[C@@]2(C)C[C@@H]2Br)C1	823308636	ANLBXYDVRHSACA-BKYAMKBNSA-N	306.200	1.206	50	20	DDGD	
Cc1cc(C(=O)NN(C)[C@H](C)CO)c2c(C(C)C)noc2n1	823965193	KGBKQEZUEDYLCV-SNVBAGLBSA-N	306.366	1.612	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)/C=C\[C@@H]2CCOC2)cc1	493325049	RUTCHXVLZMRMPO-CPWLGJMPSA-N	318.377	1.498	50	20	DDGD	
O=C(NNC(=O)c1c(F)ccc2c1OCO2)OCC(F)(F)F	825519836	PAWOYFHXLNPBEC-UHFFFAOYSA-N	324.186	1.488	50	20	DDGD	
O=C(CSC[C@@H]1CCCCO1)NNC(=O)C1CCCC1	727304913	RKCVUNGXWBOAOR-LBPRGKRZSA-N	300.424	1.626	50	20	DDGD	
CCN(CCO)NC(=O)CCCOc1ccc(C(C)=O)cc1	823833499	CSZUXTBCELJEEG-UHFFFAOYSA-N	308.378	1.394	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C\c1cc(-c2nn[nH]n2)cs1	821064934	BXXXVGUTBLKVIL-UITAMQMPSA-N	302.363	1.751	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](NC(=O)/C(C#N)=C\c2ccc(O)cc2)C1	491133182	OQVRBCOWAYHRCX-ZLAYYRTKSA-N	300.314	1.367	50	20	DDGD	
Cc1cc(C)n(Cc2cccc(C(=O)NN(C)C[C@H](C)O)c2)n1	821217236	GQELKJFABBAHDW-AWEZNQCLSA-N	316.405	1.506	50	20	DDGD	
COC(=O)NNC(=O)c1cc(Br)cc2cccnc12	495366558	FBVCMRNKDSIPGC-UHFFFAOYSA-N	324.134	1.998	50	20	DDGD	
CCO/C=C/C(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	493117491	CRRQZQHKIISZMI-JARNTUPDSA-N	312.753	1.805	50	20	DDGD	
Cc1nn(Cc2ccccc2)c(C)c1CN1CC[C@@H](B(O)O)C1	585077284	SWUXXNYHRJQQLC-MRXNPFEDSA-N	313.210	1.597	50	20	DDGD	
CC(C)n1cnnc1[C@H]1CCCN(S(=O)(=O)CCl)C1	820795044	RXZURSBVBJYFEX-JTQLQIEISA-N	306.819	1.565	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1cccc2cc[nH]c12	826974789	UKQZTGOODHSYOE-GXFFZTMASA-N	316.361	1.423	50	20	DDGD	
CCN(CCO)NC(=O)Cc1ccc(Br)cc1C	823874804	YKKAGYSADGIUDM-UHFFFAOYSA-N	315.211	1.645	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C=C1CCCC1	729297502	ONGGRWZMQVYAOC-UHFFFAOYSA-N	304.346	1.722	50	20	DDGD	
C[C@]1(C(=O)N2CCC(C3OCCO3)CC2)C[C@@H]1Br	906500508	RAHDCEWXLXCNNP-GWCFXTLKSA-N	318.211	1.771	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CN(C)c1nc2ccccc2s1	823965183	KEEHZODLWCAYRQ-SNVBAGLBSA-N	308.407	1.076	50	20	DDGD	
C[C@@]1(c2cccs2)C[C@@H]1CNCc1ccc(B(O)O)cc1	585024427	XNNBETRNSTZLFQ-CZUORRHYSA-N	301.220	1.495	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(Br)c(F)c1C	823893677	RZLUPKVIWVTKRK-UHFFFAOYSA-N	319.174	1.856	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(F)cc(F)c1O	820935977	DYTPVCWBPZNDGT-JTQLQIEISA-N	300.261	1.001	50	20	DDGD	
CSc1ccc(CCNCc2ccccc2B(O)O)cc1	585039525	SPTBSNXVEPXFQC-UHFFFAOYSA-N	301.220	1.421	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cnc(SC)n1-c1ccccc1	495693978	WBMQKELLCPUMDF-UHFFFAOYSA-N	320.374	1.937	50	20	DDGD	
O=C(C[C@H]1CCc2ccccc21)NNC(=O)[C@H]1CCCCO1	833250882	NKZKYTRJTQXTRA-UKRRQHHQSA-N	302.374	1.823	50	20	DDGD	
CC(=O)N1C[C@H]2CN(C(=O)[C@@]3(C)C[C@H]3Br)C[C@H]2C1	908370230	IMKSNEUGWJSLBM-XZUYRWCXSA-N	315.211	1.097	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCCOC(C)C)c(F)c1	838550607	MGIGSMNRVRZNHN-UHFFFAOYSA-N	313.329	1.663	50	20	DDGD	
C[C@@H]1CCC[C@H](OCC(=O)NNC(=O)Cc2cccnc2)C1	732936224	GCKGAZAGUBMRFY-OCCSQVGLSA-N	305.378	1.367	50	20	DDGD	
Cc1ccc(C)c([C@@H](C)N(C)C(=O)c2ccc(B(O)O)cc2)c1	584948621	INKCLVHRMADRJZ-CQSZACIVSA-N	311.190	1.816	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Nc1ccc2c(c1)OCO2)C1CC1	836200080	UZXGFZHBQSWSQP-QMMMGPOBSA-N	306.322	1.550	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc[nH]2)ccc1[S@](=N)(=O)O	730842148	XNQJSRSFVJCSER-UHFFFAOYSA-N	322.346	1.277	50	20	DDGD	
Cc1nnc(CC(=O)NNc2ccc(C(F)(F)F)nn2)s1	831158166	USLVEJHDNVBRFK-UHFFFAOYSA-N	318.284	1.341	50	20	DDGD	
O=C(NNc1ncncc1Cl)C1CN(C2CCCCC2)C1	837566935	OBTUKSAWDCVANB-UHFFFAOYSA-N	309.801	1.838	50	20	DDGD	
CCOCC(=O)NN=Cc1cccc(OC)c1OC(F)F	731154236	BASLMOMCTKFVBV-UHFFFAOYSA-N	302.277	1.783	50	20	DDGD	
CCOc1cccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)n1	836518649	BIOXUFKLAQBAMJ-JTQLQIEISA-N	308.338	1.202	50	20	DDGD	
CO[C@H]1CC(=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)C12CCC2	834929324	LJQSSTFQGCVWGG-ZDUSSCGKSA-N	318.333	1.852	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc2ccncc12	830109064	CXDZXCNVHISABF-JTQLQIEISA-N	315.329	1.338	50	20	DDGD	
C[C@@H]1CCC[C@H](CNC(=O)NNC(=O)[C@H]2CCCCO2)[C@@H]1C	836439520	XBJDKMMCGITKHH-AAVRWANBSA-N	311.426	1.958	50	20	DDGD	
CC(CCc1ccccc1F)=NNC(=O)CN1CCCC1=O	734092966	KDCQZKMARBXPAK-UHFFFAOYSA-N	305.353	1.873	50	20	DDGD	
Cn1cc(C=NNC(=O)C(C)(C)O)c(-c2ccc(F)cc2)n1	834973535	XKRNPPGJMMZADO-UHFFFAOYSA-N	304.325	1.447	50	20	DDGD	
Cc1ccc(C(C)(C)CNCc2ccc(B(O)O)o2)c(C)c1	585043277	LMFMTOYDXZRJNW-UHFFFAOYSA-N	301.195	1.644	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NOCC2CC2)cc1	838603870	FKXKEFFJHNAEFT-UHFFFAOYSA-N	307.350	1.300	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCOc3c(F)ccc(F)c32)cc1	585042689	FOOPHYZAQWYPPZ-CQSZACIVSA-N	319.116	1.258	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCc2coc3ccccc23)cn1	735514735	DXXUUBUYZBFWPI-UHFFFAOYSA-N	313.317	1.311	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNc2cccc([N+](=O)[O-])c2)CC1=O	839707751	FQFWOJUUAWPACG-JTQLQIEISA-N	306.322	1.296	50	20	DDGD	
COc1ccc([C@H](NCC(=O)NNC(=O)C2CC2)C2CC2)cc1	733193593	YVSMRDDAXVJSJQ-MRXNPFEDSA-N	317.389	1.293	50	20	DDGD	
O=C(NCc1ccc2c(c1)CCO2)NNC(=O)[C@H]1CCCCO1	836268877	PCTWEHBYPZMPSA-CQSZACIVSA-N	319.361	1.021	50	20	DDGD	
CCn1c(SCC(=O)NN(C)C[C@@H](C)O)nc2ccccc21	910181905	DJORNOVMHHFKDX-LLVKDONJSA-N	322.434	1.492	50	20	DDGD	
CC1(C)CCC[C@H]1CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1	838626386	VIZBQRNXDDRDES-SMDDNHRTSA-N	317.455	1.194	50	20	DDGD	
CC(C)OC(=O)CSCC(=O)NNC(=O)c1ccccc1	741475794	DLBVTMPRVCGQLO-UHFFFAOYSA-N	310.375	1.132	50	20	DDGD	
CCc1c(C(=O)NNC(=O)CCc2ccccc2)cnn1C	749799171	ZZGVRLJCZJDMTR-UHFFFAOYSA-N	300.362	1.376	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O	843850223	RUCAHHBAPFHQDS-UHFFFAOYSA-N	316.701	1.260	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1CCCN2CCCC[C@H]12	848402165	WUFGDGHKBZDNTI-GOEBONIOSA-N	322.453	1.075	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cc(Cl)c2c(c1)OCO2	842553328	FCXBKXGFUKLOGN-WPRPVWTQSA-N	310.737	1.944	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)c(C)c1OC	842562787	YYYCHYKYDAOTRF-DGCLKSJQSA-N	306.362	1.887	50	20	DDGD	
C[C@H](c1ccccc1)[C@@H](CO)NC(=O)/C(C#N)=C/c1cnn(C)c1	841415443	HDIHSNFUBVAOHT-WWSWWBLPSA-N	324.384	1.608	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CNC1(c2ccccc2)CCC1	744385980	UGLSRSGGUCBKJJ-UHFFFAOYSA-N	303.406	1.849	50	20	DDGD	
Cc1c(NNC(=O)c2ccc(C(N)=O)cn2)cccc1[N+](=O)[O-]	748673351	IENFANXCCNSIJP-UHFFFAOYSA-N	315.289	1.154	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NC1CC(CO)(CO)C1	913316701	WGZLVWJKPJDJPB-SECBINFHSA-N	308.216	1.046	50	20	DDGD	
Cc1cccc(F)c1CNC(=O)NNC(=O)Cc1ccncc1	747508186	ARBFGLJWTCHCFH-UHFFFAOYSA-N	316.336	1.602	50	20	DDGD	
O=C(NCC[C@]1(O)CCCOC1)NNc1cccc(F)c1F	845716598	XGUYGBWRGRDDCM-CQSZACIVSA-N	315.320	1.523	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)[C@H]1CCCCO1)CC(F)(F)F	840439219	FCRXMYPDQNAOPQ-RKDXNWHRSA-N	311.304	1.474	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(C)C[C@H]1Cc1ccccc1	846512662	XKTOVNRAVTZEKC-FYPAKXHLSA-N	313.401	1.816	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=Cc1ccc(O)c(O)c1	916324282	USSGYMXGWTXMOB-UHFFFAOYSA-N	311.297	1.499	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1noc(-c2cccs2)n1	745183603	VKYJHSLYIDVQJJ-UHFFFAOYSA-N	323.378	1.675	50	20	DDGD	
C[C@@H](N)[C@@H](C)NC(=O)NNC(=O)c1ccc(Cl)cc1Cl	842008101	VPVBXZPONHEKPH-RNFRBKRXSA-N	319.192	1.673	50	20	DDGD	
COCC(CC(C)(C)C)=NNC(=O)[C@H](C)CN1CCOCC1	844569997	UNSQMPZONIRCJG-CYBMUJFWSA-N	313.442	1.510	50	20	DDGD	
Cc1occc1C(=O)NCC(=O)NNC(=O)CC1CCCC1	749940832	QRTZSWFAQKZXNQ-UHFFFAOYSA-N	307.350	1.046	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)COC[C@@H](C)c1ccccc1	845455305	OLDUDOROWXBETO-LLVKDONJSA-N	316.361	1.299	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](Br)C(C)(C)C	840571110	GEQMTWOTAYTMMK-SSDOTTSWSA-N	317.187	1.738	50	20	DDGD	
CCOC(=O)Nc1ccc(F)c(C(=O)NNC(=O)C2CC2)c1	929232822	WZHKDJUAQCKAPX-UHFFFAOYSA-N	309.297	1.565	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cc([N+](=O)[O-])ccc1O	740763193	BJWMIHLFOPSIAJ-UHFFFAOYSA-N	322.321	1.055	50	20	DDGD	
C[C@H]1CC[C@H](C)N1CC(=O)NNC(=O)c1ccc(Cl)nc1	746128251	ANNUXLZLGSFJDA-UWVGGRQHSA-N	310.785	1.369	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cnc(C2OCCO2)s1	842561593	LKIDTXLQWHJPEG-WCBMZHEXSA-N	311.363	1.064	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1ccc2nc(O)oc2c1	749943363	ZJENYGOALVDUJO-UHFFFAOYSA-N	303.318	1.875	50	20	DDGD	
CCOC(=O)CCN(C(C)C)S(=O)(=O)CBr	848509828	ZIWNUZDJKBOBMV-UHFFFAOYSA-N	316.217	1.332	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=S)NCC2CC2)c1	849253163	YNJQNZADQNCSSS-UHFFFAOYSA-N	308.407	1.012	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cccnc1OC(C)C	929761798	BIORSQMENLFXPE-UHFFFAOYSA-N	304.350	1.825	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@]23CCC[C@@H]2C3)cc1OC	929230331	SFISXSJTLJAFRX-BDJLRTHQSA-N	304.346	1.655	50	20	DDGD	
O=C(NC[C@H]1CCCN1CC(F)(F)F)NNC(=O)C1CCC1	926521232	YJNRKJSBGZEYOZ-SNVBAGLBSA-N	322.331	1.144	50	20	DDGD	
CS(=O)(=O)C1(CNC(=O)NNc2ccc(F)c(F)c2)CC1	922279248	AWIDRBDVPKRARY-UHFFFAOYSA-N	319.333	1.168	50	20	DDGD	
Cc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	855005955	KVHBBUDPZBDMIC-PMOUVXMZSA-N	302.374	1.671	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1cccc(F)n1)[C@@H]1CC1(C)C	852385801	UQEWSYIDYVEATK-VHSXEESVSA-N	308.357	1.989	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@H](C)CO[C@@H]1CCOC1	853838065	CWJJWEVHEHNEME-DGCLKSJQSA-N	311.357	1.954	50	20	DDGD	
CC(C)N1CCC[C@H]1C(=O)NNC(=O)c1cccc(N(C)C)c1	929390066	CPCUJZJOYAGDBP-HNNXBMFYSA-N	318.421	1.386	50	20	DDGD	
O=C(NN=C[C@@H]1CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1	755622227	VZWJFTUSDUMOQF-QWHCGFSZSA-N	306.387	1.253	50	20	DDGD	
COc1cccc([C@@H](OC)C(=O)NNc2nccnc2OC)c1	854951662	BFLCDBNJBDLYAK-GFCCVEGCSA-N	318.333	1.325	50	20	DDGD	
CC(=NNC(=O)c1cc[nH]n1)c1ccc(N2CCCC2)cc1O	853392242	HGWMQUQXLHIOBS-UHFFFAOYSA-N	313.361	1.870	50	20	DDGD	
NC(=O)NCCCCC(=O)NNc1ccc([N+](=O)[O-])cc1F	855621039	FVZAPHXMAHYMAI-UHFFFAOYSA-N	313.289	1.016	50	20	DDGD	
CC(C)CN1C(=O)C(=NNC(=O)c2cc[nH]n2)c2ccccc21	853392661	QGELBOACOMIETA-UHFFFAOYSA-N	311.345	1.546	50	20	DDGD	
COc1ccnc(NNC(=O)CCSc2ccccn2)n1	755152802	AQICHUCSNRNJBM-UHFFFAOYSA-N	305.363	1.506	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CCN(CC3CC3)C2)c1	858234509	BKUZQSCPDBALKO-GFCCVEGCSA-N	322.434	1.485	50	20	DDGD	
C[C@@]1(CNC(=O)C2(C#N)CCOCC2)C[C@H]1Br	857398671	TVEHMXLSSQAESL-KOLCDFICSA-N	301.184	1.596	50	20	DDGD	
CCc1nc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cs1	853388784	NQGBEOXKHGTSMM-NEPJUHHUSA-N	308.407	1.019	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)C1=CCCCCC1	855833054	HHQPCMWJJNSLSL-UHFFFAOYSA-N	323.437	1.967	50	20	DDGD	
CCCCNC(=O)NN=Cc1ccccc1OCC(=O)N(C)C	920750661	HGAKGNASXXMOBX-UHFFFAOYSA-N	320.393	1.587	50	20	DDGD	
NC(=O)c1cc(C(=O)OC[C@H](CBr)C2CC2)co1	859637551	SPKJWVIBOBJKFJ-VIFPVBQESA-N	316.151	1.956	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	920451562	DYUZLWYBCWZBHB-SSDOTTSWSA-N	314.729	1.606	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CCn3cccc3C2)cc(C#N)n1C	928963949	IIUWRSSFYNDWDK-OVCLIPMQSA-N	319.368	1.956	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NC[C@H](O)c1cccnc1	752618355	SSOGYSWUOFSKHV-SBNBMVPLSA-N	311.316	1.977	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=S)Nc1ccc(OC)nc1	755666399	CHRIDNFKDSXZBD-SECBINFHSA-N	312.395	1.080	50	20	DDGD	
C[C@]1(CNC(=O)NOC[C@H]2CCOC2)C[C@@H]1Br	856851364	FEURTQHRBBPGKZ-ATZCPNFKSA-N	307.188	1.427	50	20	DDGD	
C[C@H](CBr)COC(=O)Cc1ccc(C(N)=O)cc1	753489988	BXRMKURSGQQXMS-SECBINFHSA-N	314.179	1.902	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NN=C[C@H]1CCOC1	853371265	RCTBELPAGXFLEZ-JHJVBQTASA-N	306.366	1.026	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccn2cc(C(F)(F)F)nc2c1	854214622	OKBQDUSEXNPYRS-UHFFFAOYSA-N	314.267	1.770	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1ccc2c(c1)CCCO2	853297826	HMUZSLKHEUITIV-UHFFFAOYSA-N	315.373	1.474	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@H](C)CS(C)(=O)=O	853732670	IQAUGUCZKLMEMB-SECBINFHSA-N	303.359	1.193	50	20	DDGD	
C[C@]1(CNC(=O)CCCCc2cnn[nH]2)C[C@H]1Br	857396126	YMXWPPCEEUSFMO-ZYHUDNBSSA-N	315.215	1.807	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CC(F)(F)F)nn1CCC#N	757824282	YCHOJLLABZKEDJ-UHFFFAOYSA-N	318.259	1.210	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2cnc(C)n2C)o1	853298381	XFGOGTVLNDQOPX-UHFFFAOYSA-N	317.393	1.927	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)CCOCC(F)(F)F)C1CC1	855103910	VJOQVIVEBDCNIW-SSDOTTSWSA-N	313.345	1.249	50	20	DDGD	
COC(=O)c1ccc(C(=O)NC[C@@]2(C)C[C@H]2Br)[nH]1	857388467	SONJHDMTDKELME-BXKDBHETSA-N	315.167	1.705	50	20	DDGD	
CN1CCC([C@@H]2CCN(C(=O)NNC(=O)C3CCCC3)C2)CC1	753343870	KRSVIIQUAFGYCP-OAHLLOKOSA-N	322.453	1.581	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cnc2nccnc2c1	759975915	MAXXSBOUMDHSBD-UHFFFAOYSA-N	310.273	1.690	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C(=O)Nc2ccccn2)s1	758827924	OYTFIWUECKQGGV-UHFFFAOYSA-N	318.358	1.105	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc2oc(S)nc2c1	854682728	GFEDLRPDOZMBNO-LLVKDONJSA-N	321.358	1.447	50	20	DDGD	
CN1CCCC[C@H](CNC(=O)NNC(=O)c2ccccc2F)C1	858405576	JIUHHFLJQAGTPM-GFCCVEGCSA-N	322.384	1.502	50	20	DDGD	
CC(=O)N[C@@](C)(C(=O)NNC(=O)Nc1ccccc1C)C(C)C	935803212	VQJJMFSGFXFHKZ-MRXNPFEDSA-N	320.393	1.699	50	20	DDGD	
COc1cc(C(C)=NNC(=O)c2cn[nH]c2)cc(OC)c1OC	863156307	VLXVMIRTQKHUFL-UHFFFAOYSA-N	318.333	1.590	50	20	DDGD	
C[C@H](NNC(=O)c1cccc(CS(C)(=O)=O)c1)C(F)(F)F	862305915	YPCVDDUJHBAVIH-QMMMGPOBSA-N	324.324	1.416	50	20	DDGD	
COC(=O)Cc1sccc1C(=O)NNc1nc(C)cc(C)n1	864690840	TXDITPMOVVWDOZ-UHFFFAOYSA-N	320.374	1.627	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCSC1)c1cc(-c2cccs2)[nH]n1	765570580	BIMOTRLZNMHHAT-QMMMGPOBSA-N	322.415	1.652	50	20	DDGD	
CCn1nc(C)c(C(=O)N(C)NC(=O)OCc2ccccc2)n1	862289145	WEWLFPUJOLGNGF-UHFFFAOYSA-N	317.349	1.520	50	20	DDGD	
C=C(C)COCCNC(=O)NNC(=O)COc1cccc(C)c1	762068720	WKLSILIOQJDBJA-UHFFFAOYSA-N	321.377	1.297	50	20	DDGD	
Cn1nc2c(c1C(=O)NNC(=O)NC1CCCCC1)CCCC2	764522708	FHVAYDHBAJLLHY-UHFFFAOYSA-N	319.409	1.576	50	20	DDGD	
CN(C[C@H](O)C(F)(F)F)S(=O)(=O)CC(C)(C)CCl	867054684	HJTQBVRKHHBZFX-ZETCQYMHSA-N	311.753	1.436	50	20	DDGD	
COc1cc(C)ccc1NC(=O)C(=O)NNC(=O)C1CCCC1	764067034	VZNQEYYNYFZGOW-UHFFFAOYSA-N	319.361	1.280	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NNc1ncc(F)cn1	760914858	YLICYDMNFDQUQX-UHFFFAOYSA-N	300.297	1.417	50	20	DDGD	
C[C@@](NC(=O)NNC(=O)[C@H]1CCCCO1)(C1CC1)C(F)(F)F	933573835	VVHXLFKWXSCLJA-BXKDBHETSA-N	323.315	1.617	50	20	DDGD	
CN(C)C1(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)CCC1	762964686	QJSJXBWWKRXATH-UHFFFAOYSA-N	319.449	1.835	50	20	DDGD	
CCc1cc(C(=O)OC)ccc1NC(=O)NNC(=O)C1CCC1	932815593	PJKFDNNUAAVXRR-UHFFFAOYSA-N	319.361	1.988	50	20	DDGD	
COCC(=O)NN=C(C)c1ccc(OC)c(Cn2cccn2)c1	761821828	OTCWADNXLFHJDT-UHFFFAOYSA-N	316.361	1.427	50	20	DDGD	
Cc1cc(C)c(NNC(=O)C(=O)Nc2cnns2)c(C)c1	760299768	CEUPEJCRBYXLEF-UHFFFAOYSA-N	305.363	1.545	50	20	DDGD	
C[C@H](OC1CCCCCC1)C(=O)NNC(=O)N1CCOCC1	760474834	STAYZFITBXUSAU-LBPRGKRZSA-N	313.398	1.187	50	20	DDGD	
CN(C)c1nccc(CNS(=O)(=O)CC(C)(C)CCl)n1	867060333	RHFLNFJJFDASHU-UHFFFAOYSA-N	320.846	1.227	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1nc2ccccc2[nH]1)N1CCCC1=O	768496671	QYYSFXDAEJPWNM-AWEZNQCLSA-N	315.377	1.653	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2ncn(C(C)(C)C)n2)c1	862479182	FWVVKBKTFFZLSN-UHFFFAOYSA-N	307.379	1.478	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=O)c2cccn2C)cc1F	764748499	XWHTZDYEUPXJCM-UHFFFAOYSA-N	318.308	1.197	50	20	DDGD	
C[C@@H](CCC1CC1)NC(=O)NNC(=O)COc1ccccc1O	768964414	BMHCLIDLNGJLON-NSHDSACASA-N	321.377	1.680	50	20	DDGD	
COc1ccc2nc(NNC(=O)C(C)(C)C(N)=O)c(C)cc2c1	768188782	WYTPKLLULREDGA-UHFFFAOYSA-N	316.361	1.506	50	20	DDGD	
CC[C@@H](C)C(=O)OCC(=O)NNC(=O)Cc1ccccc1C	767266936	SHFAASJVWUPWBN-LLVKDONJSA-N	306.362	1.274	50	20	DDGD	
CC[C@@H](C)CC[C@H](O)CC(=O)NNC(=S)Nc1ccccn1	874956317	SPXSBXZBKGKJMX-NEPJUHHUSA-N	324.450	1.977	50	20	DDGD	
C[C@@]1(CNC(=O)N2C[C@H]3COC[C@H]3C2)C[C@H]1Br	873078466	KFGFLUCEXUVVMG-KLBPJQLPSA-N	303.200	1.448	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2nc(C)c(C)s2)cc1	1116795892	RMSDPGWJZWCSNI-UHFFFAOYSA-N	305.359	1.843	50	20	DDGD	
Cc1nc(Cl)ccc1NC(=O)NNC(=O)C1CCOCC1	879422523	MODFZVWHFBHBHL-UHFFFAOYSA-N	312.757	1.623	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@@H]1CCCS(=O)(=O)C1	771343945	JJJUKOWEDQJVQH-SNVBAGLBSA-N	315.370	1.337	50	20	DDGD	
CC(C)[C@@H]1CC(=NNC(=O)[C@H](C)CN2CCOCC2)CCO1	776764080	XIGYTWWCUILOTK-HIFRSBDPSA-N	311.426	1.262	50	20	DDGD	
O=S(=O)(CBr)NCC1(c2ccccn2)CC1	774911792	KGGNJRYLFYYUDV-UHFFFAOYSA-N	305.197	1.385	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)c1c(N)cccc1[N+](=O)[O-]	779515980	UAYHNIONCOCUDJ-UHFFFAOYSA-N	321.318	1.017	50	20	DDGD	
C[C@@H](NCC(=O)NNC(=O)C1CC1)c1ccc(F)cc1Cl	775444315	LMBMFECTGVNIDF-MRVPVSSYSA-N	313.760	1.687	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)C(C)C)cc(OC)c1OC	770332083	RESVLJSTUHCIEF-UHFFFAOYSA-N	311.338	1.521	50	20	DDGD	
CN(C)C(=O)CCCC(=O)NNc1c(F)cc(F)cc1F	885151171	XSNCZJJRYUWSKH-UHFFFAOYSA-N	303.284	1.806	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1CC(c2ccc(C)cc2)=NO1	887153241	MSOBAIPNCUGHCP-HNNXBMFYSA-N	313.357	1.439	50	20	DDGD	
Cc1coc(C)c1C(=O)NNC(=O)CNC(=O)c1cccs1	786055923	VGVFJWJCEUWDOM-UHFFFAOYSA-N	321.358	1.149	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCCO1)C(=O)NNc1ncncc1Cl	781826558	XSIAFHWHIJCSFD-ZJUUUORDSA-N	314.773	1.547	50	20	DDGD	
CO[C@H]1CCC[C@H]1C(=O)NNc1ccccc1S(C)(=O)=O	1120709485	RCWTWQUFSRSYAC-PWSUYJOCSA-N	312.391	1.348	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H]1C[C@]12C(=O)Nc1ccccc12	1120008517	TWTBPVJTAQFAPK-MGPLVRAMSA-N	301.346	1.090	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C2(OC)CCC2)cc1OC	781587349	XRAGQWQTNYHXCC-UHFFFAOYSA-N	322.361	1.424	50	20	DDGD	
Cc1nn2c(=O)c3ccccc3[nH]c2c1C=NNC(=O)C(F)F	782235820	JQWPYRUVNZCTGU-UHFFFAOYSA-N	319.271	1.199	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc(O[C@H]2CCOC2)cc1	788744373	ZQPVRMWXNFKKLI-AWEZNQCLSA-N	319.361	1.208	50	20	DDGD	
C=CCS(=O)(=O)CCNC(=O)c1cccc(CCl)c1	1120716840	NJGRRTWGQMWAOP-UHFFFAOYSA-N	301.795	1.756	50	20	DDGD	
C[C@@H]1CN(C)C(=O)CN1C(=O)[C@H](Br)C(C)(C)C	783761761	GQQNSLHPCQXLAO-SCZZXKLOSA-N	305.216	1.485	50	20	DDGD	
Cc1cc(F)cc(NC(=O)C(=O)NNc2ncc(F)cn2)c1	784950227	UYSUAZDXSNMNHC-UHFFFAOYSA-N	307.260	1.145	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCOC2(CCC2)C1)c1ccccc1O	895521196	BFUYBDOZDKMBIY-LLVKDONJSA-N	304.346	1.503	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNc1ccccc1S(C)(=O)=O	787125105	CXXQYVUYDOSDPJ-UHFFFAOYSA-N	322.390	1.116	50	20	DDGD	
Cn1cnc(C=NNC(=O)c2cccc(Br)c2)c1	794516628	UXLQGDAGPWFXCT-UHFFFAOYSA-N	307.151	1.947	50	20	DDGD	
CC(=NNC(=O)c1cc(C)[nH]n1)c1ccc2c(c1)OCC(=O)N2	794920383	LIGPKBCBWMVXQF-UHFFFAOYSA-N	313.317	1.203	50	20	DDGD	
COCc1cc(C=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)no1	794876979	BUNARUOAAFDPKY-UHFFFAOYSA-N	319.277	1.075	50	20	DDGD	
C=C(CBr)COC(=O)CNC(=O)c1ccoc1C	795452926	VTXPWZVKSCGOCM-UHFFFAOYSA-N	316.151	1.812	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CSc2ccncc2)n1	794072758	PJYXCIVNNNHBSC-UHFFFAOYSA-N	302.359	1.338	50	20	DDGD	
CNC(=O)NNC(=O)c1cccnc1OCc1ccccc1F	790490144	LPKQODFNEPPZAX-UHFFFAOYSA-N	318.308	1.374	50	20	DDGD	
COCC[C@H]1CCCC1=NNC(=O)CNC(=O)c1cccnc1	799880539	DERQFWQCEFGFRF-GFCCVEGCSA-N	318.377	1.120	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H]1CCn2cncc2C1	798311233	KKSMISKCUMRJPH-LBPRGKRZSA-N	313.361	1.607	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1c[nH]c(Br)c1	1318842456	GEYKNSFJZSKSRG-UHFFFAOYSA-N	301.144	1.131	50	20	DDGD	
CN[C@@H](C)CCNC(=O)NNC(=O)c1cccc2ccccc12	1325324115	MPIORCANRXNZAH-LBPRGKRZSA-N	314.389	1.782	50	20	DDGD	
O=C(CCOc1ccccc1[N+](=O)[O-])NNc1cccnn1	1320193263	VTTRVGSWPXGPCY-UHFFFAOYSA-N	303.278	1.297	50	20	DDGD	
CN(C)Cc1cc(C(=O)NNc2cnc3ccccc3n2)no1	1320866893	VSJSXYIAURPXNM-UHFFFAOYSA-N	312.333	1.436	50	20	DDGD	
Nc1cnnc(NNC(=O)NC[C@H]2CCCSC2)c1Cl	1329267572	WKVGCBRWSNIJPK-SSDOTTSWSA-N	316.818	1.482	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)c1ccnc(C)n1	1321905208	BEZMZWDMZSETQG-UHFFFAOYSA-N	317.374	1.117	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccc(OC(F)(F)F)cc1	1320342017	IBSCYSHHYDRFBI-UHFFFAOYSA-N	307.228	1.120	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CCNc1ccccc1	1328368789	DKUFRRUANSUMPK-UHFFFAOYSA-N	323.393	1.425	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNc1ccc(-n2ccnc2)nn1	1328669333	PFOQJJTVULWBPY-UHFFFAOYSA-N	324.348	1.080	50	20	DDGD	
CCn1nncc1CNC(=O)NNc1ccc(C(C)(C)C)nn1	1329192147	PUOJQBUSYOCXQP-UHFFFAOYSA-N	318.385	1.212	50	20	DDGD	
Cc1cc(C)n([C@@H](C)CC(=O)NNc2nncc(N)c2Cl)n1	1253124060	PCFMRNWAYUVVJO-VIFPVBQESA-N	323.788	1.620	50	20	DDGD	
O=C(CN1CC[C@@H]2CCCC[C@H]2C1)NNC(=O)c1ccccc1	1253281115	YDPZDJVLUGOALB-HOCLYGCPSA-N	315.417	1.960	50	20	DDGD	
N#Cc1c[nH]c(C(=O)NNc2cncc(Br)c2)c1	1253712749	OGSXWSVJVZQIBS-UHFFFAOYSA-N	306.123	1.801	50	20	DDGD	
Cc1ccc(C(=O)NCC(=O)NNc2ccnc(F)c2)s1	1337498840	CXIFXGIUXMHXGL-UHFFFAOYSA-N	308.338	1.464	50	20	DDGD	
NC1(CNC(=O)NNc2ccc(F)cc2Br)CC1	1336974543	ZHGGDCVCGQBQRU-UHFFFAOYSA-N	317.162	1.706	50	20	DDGD	
C[C@H](O)CN1CCN(C(=O)C2CCC(Cl)CC2)[C@H](C)C1	1346592783	YGBMTKOBTMRQQT-KBHBFKLGSA-N	302.846	1.698	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCOCC2)cc1)C1CCOCC1	1353095478	ZIJVSKIQUOHOPO-UHFFFAOYSA-N	317.389	1.400	50	20	DDGD	
COc1cccc(NNC(=O)c2cc(C(F)(F)F)n(C)n2)n1	1521308068	HMUCUTULBPZVPJ-UHFFFAOYSA-N	315.255	1.599	50	20	DDGD	
COC1([C@@H](C)NC(=O)NNc2cccc(C(=O)O)c2)CCC1	1606708471	KTPDHMGMYAHSSY-SNVBAGLBSA-N	307.350	1.969	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)NNc1cccc(F)c1C(=O)O	1603021040	VJOQMYPFUSCMNW-LBPRGKRZSA-N	323.324	1.368	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2c[nH]nc2-c2ccccn2)c1	1602447934	IJJFKWOOUJZDOX-UHFFFAOYSA-N	323.312	1.927	50	20	DDGD	
COC1([C@@H](C(=O)O)N2C[C@H]3[C@H](Br)[C@H]3C2)CCC1	1606707794	DPTBTSUGYJVEQL-XFWSIPNHSA-N	304.184	1.334	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCC[C@H](C(=O)O)C2)cc1F	1610484749	DIJILQACUOZJCO-JQWIXIFHSA-N	322.336	1.786	50	20	DDGD	
Cn1c(=NNC(=O)[C@@H]2C[C@@H]3C[C@@H](N)[C@@H]3C2)sc2ccccc21	1553398162	RSXOKTYQKWOHHW-DDHJBXDOSA-N	316.430	1.545	50	20	DDGD	
CC(=O)C(=O)N1CCC2(CCCN(C(=O)[C@@H](F)Cl)C2)CC1	1810901335	HRGBNUPESGOSBZ-LLVKDONJSA-N	318.776	1.341	50	20	DDGD	
C[C@@](N)(C(=O)NNc1cc(O)nc2ncccc12)c1ccccc1	1576086257	QGHFFOKOPWNKHU-KRWDZBQOSA-N	323.356	1.653	50	20	DDGD	
CC(C)Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCNC2)cc1	1575648116	GASBCPLQHFLBQZ-OAHLLOKOSA-N	303.406	1.646	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1F)N[C@H]1C[C@H]2CC[C@@H]1N2	1580737621	UEZOMMGKQRYQHN-GGVZMXCHSA-N	300.284	1.623	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)cnc1C(=O)N(C)CC(Cl)Cl	1591873624	HIBHWXUEUMIFKD-UHFFFAOYSA-N	315.164	1.446	50	20	DDGD	
CCOC[C@@H](C(=O)O)N(C)C(=O)[C@@H](Br)C(C)(C)C	1596867537	ADLKZEXRSYGFFU-DTWKUNHWSA-N	324.215	1.744	50	20	DDGD	
O=C(O)C1(C(=O)NNc2cc(F)c(F)c(F)c2)CC=CC1	1594864596	IBFKFXOTINXQRV-UHFFFAOYSA-N	300.236	1.968	50	20	DDGD	
C[C@@]1(C(=O)NNc2ccc(C(=O)O)cn2)C[C@H]1Br	1593755171	MKVRHIQJVSZGNH-RDDDGLTNSA-N	314.139	1.396	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1cscc1-c1nn[nH]n1	1593167742	PXMPZCJFUPXEAJ-UHFFFAOYSA-N	305.298	1.219	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@](C)(C#N)CC(=O)O)c1C	1593896605	CFSLEEGUMMHWMS-HNNXBMFYSA-N	319.317	1.229	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CCCCC(=O)O)cc1	1594106640	TYIXWQKGPZZLMZ-UHFFFAOYSA-N	309.322	1.493	50	20	DDGD	
CC[C@H](C)CC=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	1590403936	HAETZWOQUZTWBY-NSHDSACASA-N	316.365	1.784	50	20	DDGD	
COCCCC(=NNC(=O)NCC(=O)O)c1ccc(F)cc1	1599223598	KRCVZJUQBXXONG-UHFFFAOYSA-N	311.313	1.340	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cc(C)cc(C(=O)O)c2)n1	1599722832	UXOHAUIEXOGKEH-UHFFFAOYSA-N	317.305	1.640	50	20	DDGD	
CCOc1cc(/C=C(/C#N)C(=O)NC)ccc1OCC(=O)O	1776125918	WKLIQKHPPJOGGS-WDZFZDKYSA-N	304.302	1.202	50	20	DDGD	
CC(=NNC(=O)c1ccc(CO)o1)c1cc(C(=O)O)cs1	1776097291	WUQQJGJSQCMYDJ-UHFFFAOYSA-N	308.315	1.686	50	20	DDGD	
O=C(NN=Cc1cccc(F)c1C(=O)O)c1ccc(O)c(O)c1	1776058625	YDRQDFMXDCBQHM-UHFFFAOYSA-N	318.260	1.699	50	20	DDGD	
Cn1ncc(C(=O)O)c1/C=C(/C#N)C(=O)NC1CCCCC1	1776133817	TTYRKAROHQBICF-YFHOEESVSA-N	302.334	1.474	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)c1cccc(OC(F)F)c1	11529410	VNAWNISCZPEQNU-UHFFFAOYSA-N	308.244	1.153	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)c2cnn(C)c2)c1	14806262	JTLOQJNPMWKSML-UHFFFAOYSA-N	303.391	1.668	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1cnc(C(F)(F)F)nc1	153017080	POIYEUITNIPOJD-UHFFFAOYSA-N	301.203	1.786	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)CC1CCCC1)c1cccc(C#N)c1	176746124	YGHBQISTSUUIEX-INIZCTEOSA-N	315.373	1.973	50	20	DDGD	
O=C(COC(=O)c1cc(Cl)c[nH]1)NNC(=O)c1ccccc1	25196129	KEXLNZMWLNTRCF-UHFFFAOYSA-N	321.720	1.286	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NNC(=O)NC)c1C	56376758	SOVYSFDFRUITLJ-MDWZMJQESA-N	303.366	1.382	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cc(-c2ccccc2)on1	53919790	WTGFJQXHHBVZQE-UHFFFAOYSA-N	316.317	1.028	50	20	DDGD	
COCc1cccc(S(=O)(=O)NNC(=O)CC(C)(C)C)c1	171265510	IUXXFRBXLOUXGX-UHFFFAOYSA-N	314.407	1.579	50	20	DDGD	
CC(C)(Cc1ccccc1)C(=O)NNC(=O)C(=O)N1CCCC1	117775760	GQPGXTDNPMAKPN-UHFFFAOYSA-N	317.389	1.025	50	20	DDGD	
C[C@H]1CCCC[C@@H]1OCC(=O)NNC(=O)c1cccc(C#N)c1	112814821	UQESXSVDNXEFEH-WFASDCNBSA-N	315.373	1.915	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCc1c(C)noc1C	67759665	TVXQVDJBQAVWFS-UHFFFAOYSA-N	302.334	1.744	50	20	DDGD	
CS(=O)(=O)c1ccccc1C(=O)NNC(=O)c1ccccc1	23681351	VOCAQWBAMXZSKR-UHFFFAOYSA-N	318.354	1.165	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(OC2CCCC2)c(OC)c1	65189454	JJCXSEKIWLMIKN-UHFFFAOYSA-N	321.377	1.981	50	20	DDGD	
Cc1cc(C)n(-c2ccc(C(=O)NNc3ncccn3)cn2)n1	121025925	JXCSCOVEFJCUMD-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
Cc1cc(NNC(=O)COc2ccc([N+](=O)[O-])cc2)nc(C)n1	128902316	SNRNMPRFKTVFDI-UHFFFAOYSA-N	317.305	1.524	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@H]3CCCO3)cc2C1	32259063	VTXMYYGQCZDQIQ-MWLCHTKSSA-N	308.403	1.813	50	20	DDGD	
CC[C@@H]1C[C@H](C(=O)NNc2nc3ccccc3c(=O)[nH]2)CCO1	184181971	HCEAYDJGJLTVRH-GHMZBOCLSA-N	316.361	1.571	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H]2[C@H]3Cc4ccccc4[C@H]23)nn1	123534894	GTJGFXPMZCZJSB-YCPHGPKFSA-N	309.373	1.997	50	20	DDGD	
COc1ccc(C)nc1NC(=O)NNc1nc(C)cc(C)n1	127799186	UJCCEGZXEZBVKM-UHFFFAOYSA-N	302.338	1.954	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn3c2CCCC3)s1	127970939	PEIWVLSBLQDSLW-UHFFFAOYSA-N	304.375	1.664	50	20	DDGD	
COc1cccc(NNC(=O)CSCc2ccccn2)n1	180732261	FHBMKJRBKIBYEP-UHFFFAOYSA-N	304.375	1.862	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)NCC(F)(F)F)c1	124631726	KLJDPWHSJGZEPZ-UHFFFAOYSA-N	319.283	1.521	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=O)COc1cc(C)cc(C)c1	185006372	BLELMVPYLUHAHA-UHFFFAOYSA-N	302.374	1.879	50	20	DDGD	
COC(=O)Cc1cccc(C(=O)NNc2ccnc(F)c2)c1	187712574	AJWNOYGLQHGLOM-UHFFFAOYSA-N	303.293	1.693	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2c[nH]c(C#N)c2)c(C)c1	181132219	OWGDIYKYJNIYFL-UHFFFAOYSA-N	311.345	1.376	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1ccc(OCCOC)cc1	32585203	XRVJAGNRBLCYOX-WYMLVPIESA-N	304.346	1.772	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cc(F)ccc2C)nn1	123780479	WVMNFIKNVQPGKN-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
COc1cccc(NNC(=O)NC2CCN(CC3CC3)CC2)n1	180991703	XSFKTSDVGYIUAQ-UHFFFAOYSA-N	319.409	1.591	50	20	DDGD	
COc1ccccc1S(=O)(=O)NNC(=O)c1ccccc1F	47367642	OURUFNJGIAJCBQ-UHFFFAOYSA-N	324.333	1.458	50	20	DDGD	
O=C(NCCn1ccnc1)NNC(=O)c1cccc2ccccc12	80541473	TXYWVKMVWAJQMG-UHFFFAOYSA-N	323.356	1.681	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C(=O)Nc2cccnc2C)c1	134380344	FIQKNXPYCFUWRR-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NNC(=O)C(C)(C)C	131797759	IMKHDTAKBTWBPZ-LLVKDONJSA-N	311.426	1.607	50	20	DDGD	
O=C(Cc1csc(N2CCCC2=O)n1)NNc1ccccc1	132314017	NLAPLKPDCKBLLF-UHFFFAOYSA-N	316.386	1.956	50	20	DDGD	
CCOc1ccc(CC(=O)NNC(=O)c2ccc(C)o2)cc1	84291429	BQSOPTCHZYPJKV-UHFFFAOYSA-N	302.330	1.990	50	20	DDGD	
O=C(C[C@@H](O)c1cccc(F)c1)NNc1nc2ccccn2n1	191912106	YHGQQJOMUMOAIF-GFCCVEGCSA-N	315.308	1.435	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNc1cc(C#N)cc(Cl)n1	93296336	ACQMTUZUHONXSS-UHFFFAOYSA-N	310.741	1.639	50	20	DDGD	
Cn1c(=NNC(=O)c2ncccc2O)sc2ccccc21	254992220	BCZPYAKWMATTON-UHFFFAOYSA-N	300.343	1.586	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)N[C@H]1CCCSC1	267280214	GWLDMGDDXFGINH-ZDUSSCGKSA-N	323.418	1.429	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@H]1CCc2nccn2C1	364994710	DEIYQOPTWQKDGL-AWEZNQCLSA-N	312.373	1.226	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)[C@@H]1CCCOC1	270741458	XRJIBVITTPDOGQ-SNVBAGLBSA-N	310.375	1.058	50	20	DDGD	
C=CCN(CCc1ccco1)S(=O)(=O)CBr	272786101	INWARPJBUMIKJO-UHFFFAOYSA-N	308.197	1.992	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCn2cnnc2[C@H]1C	277097770	UVDRRSJMIJCPKV-LLVKDONJSA-N	322.800	1.547	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H]1CCCN1C1CC1	279012934	LTBOCWARNYGXDD-CYBMUJFWSA-N	303.362	1.083	50	20	DDGD	
CN(C)c1noc(CCC(=O)NNc2cccc(Cl)c2)n1	275053241	STQIDIRPBNIAIL-UHFFFAOYSA-N	309.757	1.865	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCc1cc(C(N)=O)no1	282416870	LMDOHGGCVCGTLF-UHFFFAOYSA-N	317.349	1.471	50	20	DDGD	
C[C@@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)Nc1ccccc1	283749289	KJOSNOTZKZTVTQ-SNVBAGLBSA-N	306.366	1.390	50	20	DDGD	
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NNc1nc(C)cc(C)n1	281782202	KOZGKDMSNLJXOH-CHWSQXEVSA-N	305.382	1.701	50	20	DDGD	
C[C@@H]1C[C@@H](N2CCOCC2)CN1S(=O)(=O)CCCCCl	375632723	WLBYVAVNWUBYMO-CHWSQXEVSA-N	324.874	1.130	50	20	DDGD	
CC(=O)N[C@H](CC1CCC1)C(=O)NNc1cc(Cl)ccn1	280279350	PECGBQBXUPXTIE-GFCCVEGCSA-N	310.785	1.873	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2O[C@H](C)C[C@H]2C)c1	282638204	KGEGMMNXQSBJTE-JTNHKYCSSA-N	317.414	1.799	50	20	DDGD	
COCc1ncsc1C(=O)NNC(=O)c1ccc(C)s1	283303287	GQLGZVBRECQWMQ-UHFFFAOYSA-N	311.388	1.734	50	20	DDGD	
Cc1ccccc1C[C@H](C)NC(=O)NNC(=O)[C@@H]1CCCCO1	296318734	LLENBPKBUOSPBB-ZFWWWQNUSA-N	319.405	1.826	50	20	DDGD	
COc1ccccc1C1(C(=O)NNc2ncncc2F)CC1	294011228	MSMYCQQVUKLMEH-UHFFFAOYSA-N	302.309	1.799	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c2[nH]ncc12	293491605	ZCDRTMDSTXFLOE-CABZTGNLSA-N	317.349	1.592	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)COc2ccccc2C#N)nn1	807951700	FGYYGNUQSJPSQS-UHFFFAOYSA-N	312.333	1.260	50	20	DDGD	
O=C(NNc1cccc(F)n1)C(=O)Nc1cccc(F)c1F	807390955	BFPNAYCXFAKUDM-UHFFFAOYSA-N	310.235	1.581	50	20	DDGD	
C[C@H](Cn1ccc2ccccc21)C(=O)NNC(=O)C(C)(C)O	803159569	NYQBDKMWVKNZPN-LLVKDONJSA-N	303.362	1.196	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H](OC(C)C)c1ccccc1	292079313	WSEYFAKBOYNHRJ-CYBMUJFWSA-N	307.419	1.834	50	20	DDGD	
O=C(NCCCc1ccccc1F)NNC(=O)[C@@H]1CCCCO1	297094520	XPUNQFSUFSPLFX-AWEZNQCLSA-N	323.368	1.658	50	20	DDGD	
Cc1ccnc(NNC(=O)Cc2ccccc2S(C)(=O)=O)c1	807036132	UECDSAJYYSBPCP-UHFFFAOYSA-N	319.386	1.479	50	20	DDGD	
C[C@H]1COCC[C@H]1CNC(=O)NNc1ncc(F)cc1F	297924046	JDYFEJYBMORSBQ-IUCAKERBSA-N	300.309	1.659	50	20	DDGD	
CSCC[C@H](O)C(=O)NNC(=O)c1cc2ccccc2o1	295212555	XJACOFLEINGQRU-JTQLQIEISA-N	308.359	1.308	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCC1CC(F)(F)C1	291907749	JUSPHLVHNMAAPJ-UHFFFAOYSA-N	315.295	1.744	50	20	DDGD	
CSC[C@@H]1CCCN(C(=O)NNC(=O)c2cccc(C)n2)C1	293292326	HSRLQMLDEKQOQH-GFCCVEGCSA-N	322.434	1.819	50	20	DDGD	
CC[C@@H]1CCC[C@H]1C(=O)NNc1nc(O)c2cnn(C)c2n1	294866114	BMCMBQDTKIALOV-RKDXNWHRSA-N	304.354	1.338	50	20	DDGD	
Cn1cnc(C(=O)NN=C(c2ccccc2)c2ccccc2)n1	809960108	UNXOTJXRIRCDQM-UHFFFAOYSA-N	305.341	1.998	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)Cc2cnn(C)c2)cc1C	291298154	SGRXCPMDOWFBFI-UHFFFAOYSA-N	316.361	1.591	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1nn(-c2ccccc2)c2c1CCC2	294152521	MMVOBIJRWYVAQC-UHFFFAOYSA-N	324.384	1.922	50	20	DDGD	
CSSCCNC(=O)N(C)[C@@H](C)CN1CCOCC1	807230567	HAPMGJZXNKBHGD-NSHDSACASA-N	307.485	1.360	50	20	DDGD	
CC(C)[C@H](O)C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	291623543	KSAOSYRPGALFRT-JTQLQIEISA-N	317.292	1.458	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc3ncsc3c2)O1	294070852	BTHBZUUZPSIHSN-KWQFWETISA-N	305.359	1.625	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)/C(C#N)=C\c2ccc(F)cc2)O1	293924128	NODJBZAWULYOAY-SZVJIJLYSA-N	317.320	1.448	50	20	DDGD	
COCCN(C)NC(=O)c1cnc(C(F)(F)F)c(C#N)c1	297046208	JWAQHWMCRRPOIN-UHFFFAOYSA-N	302.256	1.195	50	20	DDGD	
CC/C=C/CNC(=O)NNC(=O)COc1ccc(C#N)cc1	298059066	JNINHOXOVDMSMZ-ONEGZZNKSA-N	302.334	1.234	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(-n2ccnc2)nn1)c1ccsc1	804951483	BVPUJSKLQDCYRG-SNVBAGLBSA-N	314.374	1.971	50	20	DDGD	
CC[C@@H](C)CONC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	291795347	PHLFEFOMCFDNDS-SECBINFHSA-N	310.310	1.517	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNC(=O)[C@@H]1CCCCO1	295352767	ISWGYKGGYQLRLD-LBPRGKRZSA-N	307.350	1.119	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)CCn2cccn2)cc1	802123868	VQLSAQLTDNSHNY-UHFFFAOYSA-N	316.365	1.192	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H](O)c2ccccc2)cc1	802056406	MYUKWISZYCPHEH-CQSZACIVSA-N	315.329	1.582	50	20	DDGD	
CCCCN(Cc1ccccc1O)[C@@H](C)C(=O)NNC(=O)CC	801598128	UZMWYTXVWMKFGP-ZDUSSCGKSA-N	321.421	1.940	50	20	DDGD	
O=Cc1cn(CC(=O)NNc2ncncc2F)c2ccccc12	817081059	OOQQCZRMNNSXFY-UHFFFAOYSA-N	313.292	1.526	50	20	DDGD	
COc1ncc(C=NNC(=O)Cc2cn3ccccc3n2)s1	812226300	KSXXDKFHJLEPSZ-UHFFFAOYSA-N	315.358	1.492	50	20	DDGD	
O=C(NNc1ncncc1F)c1c[nH]c2cc([N+](=O)[O-])ccc12	817083882	WRSLTLMCGPACHG-UHFFFAOYSA-N	316.252	1.762	50	20	DDGD	
Cn1cnc(-c2ccc(C(=O)NNc3ncncc3F)cc2)n1	817068219	YUBBLWWXKZBJGL-UHFFFAOYSA-N	313.296	1.168	50	20	DDGD	
Cc1nn(C(C)(C)C)c(C)c1C=NNC(=O)Cc1cc[nH]n1	814954340	DLUUIXRGHXYTHG-UHFFFAOYSA-N	302.382	1.671	50	20	DDGD	
CN(NC(=O)[C@H](c1cccc(F)c1)N1CCOCC1)C1CC1	819648653	NAVGGURYDWSWDY-HNNXBMFYSA-N	307.369	1.324	50	20	DDGD	
Nc1cccc([N+](=O)[O-])c1C(=O)NNc1cccc(Cl)n1	817009499	MQSBDFGBAXPSEN-UHFFFAOYSA-N	307.697	1.982	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)C2CCCC2)c(OC)n1	811910049	SKICTQCBVLLTDM-UHFFFAOYSA-N	322.365	1.119	50	20	DDGD	
Cc1nc(N2CCOCC2)sc1C(=O)NN=C1CC(C)C1	814749813	OGOGKIJWSFGIDM-UHFFFAOYSA-N	308.407	1.804	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Nc1cc(N(C)C)ncn1	810224000	QNCAIZFRIVUOBH-UHFFFAOYSA-N	314.349	1.318	50	20	DDGD	
COCCC(COC)=NNC(=O)COc1ccc(Cl)cc1	812223678	ICZNJLNNYNAAHK-UHFFFAOYSA-N	314.769	1.874	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1ccc(O)c(C)c1	728226292	MFBQJHRIVRJLDJ-UHFFFAOYSA-N	315.329	1.564	50	20	DDGD	
CCO/C=C\C(=O)NNC(=S)Nc1ccc(OCC)cc1	493199104	MVBYCLWLYLMEDC-KTKRTIGZSA-N	309.391	1.953	50	20	DDGD	
CN1C(=O)CC[C@H](NC(=O)NNc2ccccc2Cl)C1=O	824794603	SZPHKDYQWLPEDB-JTQLQIEISA-N	310.741	1.114	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C(C)[C@H]1CCOC1	496347106	WAFSZFIDNUHSKM-STQMWFEESA-N	323.393	1.432	50	20	DDGD	
O=C(/C=C\c1ccc(O)cc1)NNC(=O)NCc1ccco1	492633609	PGPCNEXNCXKPKR-YVMONPNESA-N	301.302	1.529	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H](c1ccccc1)C1CC1	825574445	SPGGIJGJRCTDJJ-CQDKDKBSSA-N	317.389	1.893	50	20	DDGD	
CCCc1c(C(=O)NN(CC)CCO)[nH]c(C)c1C(=O)OC	823852269	BKNIQPVZZULVBW-UHFFFAOYSA-N	311.382	1.021	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCOC[C@@H]1c1noc(C(C)C)n1	490847428	XSBBGBMHIGYPKO-NXIHDVOMSA-N	320.349	1.537	50	20	DDGD	
CCn1ccc(NC(=O)NNC(=O)c2cccc(N(C)C)c2)n1	824938449	JNWLOUQWEAWKBL-UHFFFAOYSA-N	316.365	1.436	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccc2oc(C)c(C)c2c1	495472330	HQGVXUNYTZIIIL-UHFFFAOYSA-N	305.290	1.375	50	20	DDGD	
CNC(=O)/C(C#N)=C/c1ccc(OC)c2oc(C(=O)OC)cc12	490725807	LCXBHCGPMHBXJE-UXBLZVDNSA-N	314.297	1.881	50	20	DDGD	
COC(=O)N(C)CCNC(=O)NNc1cccc(F)c1F	822790105	UOPUTYCWULRIIA-UHFFFAOYSA-N	302.281	1.289	50	20	DDGD	
CCCN(CCCN(C)C)C(=O)/C(C#N)=C/c1cnn(C)c1	491106823	TYLMAOSAKQWXRG-XNTDXEJSSA-N	303.410	1.517	50	20	DDGD	
CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)NC1CC1	822781799	ITWHVOPSADDYQE-NSHDSACASA-N	312.414	1.056	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N(C)[C@@H]2CCC[C@H]2O)cc(C#N)n1C	490943384	RLTVYZZTMZZBBG-HUTFFOLGSA-N	312.373	1.484	50	20	DDGD	
O=C(c1ccc(N2CCCCCC2)nc1)N1CC[C@H](B(O)O)C1	585070291	VJTNVZYVQMPZJZ-AWEZNQCLSA-N	317.198	1.151	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccccc1NC(=O)C(C)(C)C	823965622	QIBULQVQWNAAFV-LLVKDONJSA-N	307.394	1.629	50	20	DDGD	
Cc1nc(C2CC2)oc1-c1nc(-c2ccc(B(O)O)cc2)no1	585053808	HIXXWYNJNYKFQE-UHFFFAOYSA-N	311.106	1.257	50	20	DDGD	
OB(O)c1ccc(CN[C@H](CC(F)(F)F)C2CC2)c(F)c1	585039933	ZTNAUDASVKZNSJ-GFCCVEGCSA-N	305.080	1.326	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc3ccccc3n2)CO1	827606916	OEMQCQKKTVMJRR-JQWIXIFHSA-N	314.345	1.356	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1C[C@H]1c1ccccc1F	826950943	AIHULLCPGCKZIU-KOXOONSLSA-N	321.352	1.437	50	20	DDGD	
CC(C)C[C@H](C)NC(=O)NNC(=O)CNC(=O)OC(C)(C)C	494741870	HTEMAQKARPVUBQ-JTQLQIEISA-N	316.402	1.276	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(Br)c(F)c1	823852661	MRUOEMMQGDBRRD-UHFFFAOYSA-N	305.147	1.547	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(C(=O)NC2CC2)cc1	494658315	GEWDCSNHHMKBNM-UHFFFAOYSA-N	306.322	1.361	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	823853036	XQYUGDDSPQRBIB-OAHLLOKOSA-N	323.412	1.383	50	20	DDGD	
C[C@@H](NC(=O)c1cccc(B(O)O)c1)c1cccc(C2CC2)c1	584994051	CQBHMAPOHKYENB-GFCCVEGCSA-N	309.174	1.735	50	20	DDGD	
OB(O)c1ccc(CN[C@H](c2cc(F)ccc2F)C2CC2)cc1	585027366	REWOZKWAZSVOPP-KRWDZBQOSA-N	317.144	1.886	50	20	DDGD	
COC(=O)[C@@H](CC(F)F)NC(=O)/C(C#N)=C/c1ccc(O)cc1	491133011	OIDYNHNYMHLTJE-GCZGVDRJSA-N	324.283	1.612	50	20	DDGD	
C[C@@H](Oc1cccnc1)C(=O)NNC(=O)c1ccccc1O	735516614	RQIKHJCCFPYGAC-SNVBAGLBSA-N	301.302	1.016	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F	822384168	LFIIOTPENZRCTN-RKDXNWHRSA-N	316.283	1.148	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NN(C)CCOC	496377686	LIWYWXOZPGPIEE-LBPRGKRZSA-N	317.430	1.631	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)NNc1ncccn1	497205676	YFKRUPKJGLMGLC-NSHDSACASA-N	321.381	1.709	50	20	DDGD	
Cc1ncc2c(n1)CCC[C@H]2NC(=O)NNC(=O)OC(C)(C)C	734950129	JOTBISILIWWVOH-GFCCVEGCSA-N	321.381	1.901	50	20	DDGD	
CO[C@H](C1CC1)[C@H](C)NC(=O)NNc1ncc(F)cc1F	838702684	UNTHFZPBNAQIHS-CPCISQLKSA-N	300.309	1.799	50	20	DDGD	
CCOC(=O)[C@H](CC(=O)NNc1cccc(F)c1F)C(C)=O	830831907	YKVLJMNOYKRMDW-SECBINFHSA-N	314.288	1.566	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@@H]2CCO[C@H]2c2ccccc2)cn1	491128730	FADOGSHUTIUXDZ-DNQJIUQOSA-N	322.368	1.973	50	20	DDGD	
CC(=O)N1CCC(CNC(=O)[C@@]2(C)C[C@@H]2Br)CC1	906584985	ZGQGMNYAARXFFD-AAEUAGOBSA-N	317.227	1.535	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1nc2ccccc2s1	831051993	JRGHQEHRBPPNIN-BDAKNGLRSA-N	320.374	1.874	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)CN1CCC(=O)NC1=O	836934535	OBKVTKVGEYMQHQ-UHFFFAOYSA-N	310.741	1.033	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NNC(=O)C2CCC2)c(C)c1	732047860	IDVTZCSPUAHWSR-UHFFFAOYSA-N	312.391	1.503	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)c1	905101451	OIIHLPXNEXYWSN-APHBMKBZSA-N	316.357	1.055	50	20	DDGD	
CCCCNC(=O)NNC(=O)COc1ccc(C=O)cc1OC	731618044	RZPWZRLSCNMDSC-UHFFFAOYSA-N	323.349	1.017	50	20	DDGD	
CCN(CC)[C@H](CNC(=O)NNC(=O)C1CCC1)CC(C)C	732444384	LMPNUSNSSSYIHM-AWEZNQCLSA-N	312.458	1.873	50	20	DDGD	
O=C(NN=Cc1ccc(Br)cn1)c1cnccn1	733744552	MCEQTDZYJRVKRG-UHFFFAOYSA-N	306.123	1.398	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NCCSC)ccc1F	838180809	XZNFIIVOXAAFHF-UHFFFAOYSA-N	301.343	1.601	50	20	DDGD	
C/C=C\C[C@@H](CO)NC(=O)NNC(=O)CCCc1ccccc1	588491884	KVIAYAVXQVEJGQ-GWQWAINWSA-N	319.405	1.667	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](F)C(F)(F)F)c1F	837061825	SVJHGTQLNAKOAP-QMMMGPOBSA-N	312.194	1.956	50	20	DDGD	
O=C(NN=C1CCOC1)c1ccc(NN=C2CCOC2)cc1	731923607	UYMHXOLHLUUKGH-UHFFFAOYSA-N	302.334	1.381	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cc2occc2s1	736012706	JSNFJWJWLMXNJD-UHFFFAOYSA-N	301.327	1.893	50	20	DDGD	
Cc1ccc2c(c1)[C@@H](NCc1ccc(B(O)O)cc1F)[C@H](C)C2	585034855	UPFQRXUQZWVRNV-XIKOKIGWSA-N	313.181	1.837	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cn1	735578955	CBNMHDVGTMFIBW-YRGRVCCFSA-N	319.409	1.723	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCCCCCN	831263924	RMYYSJMAGAMHDD-UHFFFAOYSA-N	308.382	1.158	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1	736427898	GNRQBEZJPJCFIJ-UHFFFAOYSA-N	323.305	1.490	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCC#CCN(C)C)cc1	913516398	OEPYLJFNIQKPSL-SSZFMOIBSA-N	311.385	1.673	50	20	DDGD	
O=C(NNc1cnccn1)c1csc(Nc2ccccn2)n1	736680638	RICALBKPRVAOBQ-UHFFFAOYSA-N	313.346	1.829	50	20	DDGD	
O=C(NNc1ncccc1F)N[C@@H]1C[C@H]2CCCCN2C1=O	836693050	ZKTARSZLSPWSPE-MWLCHTKSSA-N	307.329	1.000	50	20	DDGD	
COCCS(=O)(=O)CC(=O)NNc1ccc(C(C)C)cc1	837056341	ZJUNYPQHJGTQNA-UHFFFAOYSA-N	314.407	1.314	50	20	DDGD	
CCc1ccc(C(=O)NN=C(C)c2cn(CC(=O)O)nn2)cc1	830232225	JTBJOXVKJRUYFH-UHFFFAOYSA-N	315.333	1.079	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H](C)C2CCC2)nc1C	837517636	RYOIFFCJAIMKOK-VIFPVBQESA-N	306.366	1.841	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)N[C@H]1CCCSC1	748969088	YGRDPOYNIXCYTB-ZDUSSCGKSA-N	307.419	1.845	50	20	DDGD	
CCCc1cnc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)s1	831616712	KTMDJRYZPCDLQM-WCBMZHEXSA-N	312.395	1.673	50	20	DDGD	
COc1cc(C=NNC(=O)C(C)C)cc(OC)c1OC(C)=O	916329074	ZSPPMBLYGYXFBK-UHFFFAOYSA-N	308.334	1.735	50	20	DDGD	
CO[C@]1(C=NNC(=O)c2cccc(OC(F)F)c2)CCOC1	841623724	NBBWMNYHALJXAP-AWEZNQCLSA-N	314.288	1.809	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)c1cnn2c1CCC2	848322591	HIXXLVDIWOUVGF-UHFFFAOYSA-N	323.154	1.139	50	20	DDGD	
CC(C)(C)C(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc21	915966609	KQLWPKATNLOHKP-UHFFFAOYSA-N	312.366	1.870	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1	910165476	LCGLTDXJRFHRIJ-JTQLQIEISA-N	323.780	1.881	50	20	DDGD	
COCCC[C@H](C)C(=O)NNc1cc(O)nc2ncccc12	913991294	OOWKBFBEWMLBJA-JTQLQIEISA-N	304.350	1.841	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCc2ccn(CC)n2)cc1	840401953	VODFBQVBHGLEJM-UHFFFAOYSA-N	315.377	1.610	50	20	DDGD	
CCn1nc(C=NNC(=O)[C@@H]2CCO[C@H]2C)c2ccccc21	842561349	KGOPPUJKKGZPPA-NWDGAFQWSA-N	300.362	1.931	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@H]1CS[C@@H](C)C1	840417100	OJCGAMFTCUQACN-CMPLNLGQSA-N	323.418	1.462	50	20	DDGD	
C=CCOc1cccc(C=NNC(=O)CN2CCCC2=O)c1	916358053	ZLQHPPATJBDQJM-UHFFFAOYSA-N	301.346	1.324	50	20	DDGD	
COCc1ccc(C=NNC(=O)CNC(=O)c2ccco2)cc1	741761847	OWMZXPVZISLDIZ-UHFFFAOYSA-N	315.329	1.306	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(OCc2ccccc2)ccn1	742585692	LZEYZFUPOXEVQY-UHFFFAOYSA-N	314.345	1.625	50	20	DDGD	
C[C@H](CN1CCCCCC1)C(=O)NNC(=S)NC(C)(C)C	917572797	DAAOEXKEKFOTCA-GFCCVEGCSA-N	314.499	1.792	50	20	DDGD	
CCCC[C@H](CN)NC(=O)NNC(=O)CCOc1ccccc1	841958759	SHKKYCVLVVUNHR-CYBMUJFWSA-N	322.409	1.303	50	20	DDGD	
CCCN(CC)Cc1ccc(C(=O)NN(C)C[C@@H](C)O)cc1	910165848	ORSVHGDSHHLFNJ-CQSZACIVSA-N	307.438	1.876	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)C1CCC(OC[C@H]2CCCO2)CC1	910145568	VLQBMFSLWXTPCM-VXGQWTEUSA-N	314.426	1.085	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C(C)(C)C)[C@@H]1C[C@H](C(=O)O)C1(C)C	848596133	OKSIORUPZLEDKY-LPEHRKFASA-N	313.398	1.498	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)C(N)=O)c2cccc(Br)c21	743420421	CAIFNMYPFSNIGW-ZCFIWIBFSA-N	310.151	1.262	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1nc2ccccc2n1C)C(C)(C)C	848380918	XENNPBNNQAVKCP-CYBMUJFWSA-N	317.393	1.567	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCC[C@@H]2CCCN2)cc1	842005604	QXRWWPRXWWHFAW-HNNXBMFYSA-N	318.421	1.725	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cn(-c2ccccc2)cn1	844619108	AZLOWUDUZLAQFH-DGCLKSJQSA-N	314.345	1.058	50	20	DDGD	
O=C(NNc1cc(Cl)nc(Cl)c1)[C@H]1CCCS1(=O)=O	848232565	HBQSARUGBMESEY-SSDOTTSWSA-N	324.189	1.409	50	20	DDGD	
COC1CC(C(=O)NNC(=O)COc2ccc(C)c(C)c2)C1	858130288	GDTZXGFPSCBDSP-UHFFFAOYSA-N	306.362	1.255	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNC(=O)COc1ccc(F)cc1	858145188	YSHQKWZNLIDQFE-CYBMUJFWSA-N	312.341	1.557	50	20	DDGD	
Cc1cc(C=NNC(=O)CNC(=O)c2ccco2)cc(C)c1O	750939035	WWMBLFJTTSGGTB-UHFFFAOYSA-N	315.329	1.482	50	20	DDGD	
N#CSCCCNC(=O)[C@]1(c2ccccc2)CNC(=O)C1	854360672	WEZINHCPWRWORF-HNNXBMFYSA-N	303.387	1.165	50	20	DDGD	
CN(Cc1ccon1)C(=O)NC[C@@]1(C)C[C@H]1Br	856898610	CZPKFZGHFPSSHR-MWLCHTKSSA-N	302.172	1.990	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)OCC(F)(F)F)c(C(C)(C)C)n1	856021489	HGNODMHAWHJUDV-UHFFFAOYSA-N	322.287	1.651	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)Cc2ccc(C)o2)c1	753888118	WKBMZKHUNGQGPQ-UHFFFAOYSA-N	316.357	1.974	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNc1ccc(Cl)cn1)c1nncn1C	852322106	BJSVWRVBCBMTMN-LLVKDONJSA-N	323.788	1.887	50	20	DDGD	
COC[C@@H](CNC(=O)NNc1cc(F)cc(Cl)c1)OC	853972758	DGIWLAKACJTMOG-LLVKDONJSA-N	305.737	1.767	50	20	DDGD	
CC[C@]1(O)CCN(C(=O)NC[C@]2(C)C[C@@H]2Br)C1	856953684	SXFFNGWJEJPPFD-DLOVCJGASA-N	305.216	1.716	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@H]2C[C@H]2C2CC2)cc1OC	751299741	LZTOUNNCGBTSPN-STQMWFEESA-N	318.373	1.901	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=C1COc2ccccc21	853408108	MIRBQMCEGMFVLF-UHFFFAOYSA-N	317.389	1.842	50	20	DDGD	
C[C@]1(CNC(=O)c2csc(CN)n2)C[C@@H]1Br	857007145	GMBHZKGOZBPGED-OIBJUYFYSA-N	304.213	1.505	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cccc([N+](=O)[O-])c1O)C1CC1	855098875	NHHPVXNGHCUDHC-ZETCQYMHSA-N	324.362	1.208	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cc[nH]n1)[C@H]1OCCc2sccc21	855355929	JHCSVZAQDDGIOB-QPUJVOFHSA-N	320.374	1.182	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)nn1C	757755918	MFZRGAKDWXIWQL-UHFFFAOYSA-N	318.293	1.103	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCCC(=O)N(C)C)c1C	855627719	ZLFPWALIXGSGDO-UHFFFAOYSA-N	321.377	1.483	50	20	DDGD	
Nc1ccc(C(=O)NN=c2cc[nH]cc2)cc1OC(F)(F)F	857483229	RAOBKORKAPCNSU-UHFFFAOYSA-N	312.251	1.741	50	20	DDGD	
Cc1ccnc(NNC(=O)CSCC(=O)N2CCCCC2)c1	755838660	STZJSLLEJLGRCJ-UHFFFAOYSA-N	322.434	1.579	50	20	DDGD	
CNC(=O)[C@H]1CCC[C@H]1NC(=O)NNc1cc(F)ccc1F	921726658	GNNQKKYVGYAVCD-GXSJLCMTSA-N	312.320	1.506	50	20	DDGD	
Cc1cccnc1NNC(=O)NCc1c(C2CC2)cnn1C	852577891	KXEBWAOHWLKIIQ-UHFFFAOYSA-N	300.366	1.827	50	20	DDGD	
O=S(=O)(CBr)N1CCC2(CCNCC2)CC1	850586031	JNTCVWDUAXREGF-UHFFFAOYSA-N	311.245	1.134	50	20	DDGD	
C[C@H](C(=O)NNc1nc(O)c2ccccc2n1)C(F)(F)F	758295440	BBDHSDPVVYXZEU-ZCFIWIBFSA-N	300.240	1.977	50	20	DDGD	
CCc1cnc(NC(=O)C(=O)NNc2cccc(C#N)c2)s1	756170181	UIYLSKJGQXHIRT-UHFFFAOYSA-N	315.358	1.659	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)/C=C\SC)cc1OC	751532942	KRXKFDLIPWUEAT-FPLPWBNLSA-N	310.375	1.732	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cnn(-c2ccc(Cl)cc2)n1	751614509	DGSPBRQUGOKDED-UHFFFAOYSA-N	321.768	1.728	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1ccc2c(c1)OCCO2	920833290	LNFIFCDZIJGBME-UHFFFAOYSA-N	307.350	1.518	50	20	DDGD	
C[C@@H](NC(=O)NNc1cc(F)ccc1F)[C@@H]1CN(C)CCO1	921553049	HTJLTSVBFRNEQI-RNCFNFMXSA-N	314.336	1.310	50	20	DDGD	
Cn1cc([C@H](O)C(=O)OC[C@H](CBr)C2CC2)cn1	859693394	ZUZHLXJTDJWRGE-ONGXEEELSA-N	317.183	1.418	50	20	DDGD	
Cc1c(C(=O)NNc2ccc(-c3ccccc3)nn2)nnn1C	754471777	MISCMAZKUSAXOA-UHFFFAOYSA-N	309.333	1.337	50	20	DDGD	
CC(C)c1cnc(NC(=O)NNC(=O)c2cnccn2)s1	755399314	XYJKWIOUBGMQCY-UHFFFAOYSA-N	306.351	1.523	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCC2CCC2)cc1OC	755086563	JIBLSDKGIPDGFD-UHFFFAOYSA-N	321.377	1.838	50	20	DDGD	
CCSC1(CNC(=O)NNC(=O)c2cccc(C#N)c2)CC1	852056677	ILQVFKWZJBQXGT-UHFFFAOYSA-N	318.402	1.788	50	20	DDGD	
C[C@@]1(CNC(=O)C2(CO)CCOCC2)C[C@@H]1Br	857736417	LZNWJUAERKDJEP-ONGXEEELSA-N	306.200	1.065	50	20	DDGD	
CCc1noc(COCC(=O)NNc2cc(C)ccc2C)n1	935022419	UOXMBQSWHWRUFE-UHFFFAOYSA-N	304.350	1.909	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccn(C)n2)c2ccccc2n1	756293350	HAMCWMRXFRZHKS-UHFFFAOYSA-N	324.344	1.743	50	20	DDGD	
CCc1nnc(O)c(C(=O)NNC(=O)C2CCCC2)c1CC	758167483	QCBKOEPUYLABBQ-UHFFFAOYSA-N	306.366	1.258	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccoc1C1CC1	854285515	MZDOANQIHXWKGT-UHFFFAOYSA-N	311.407	1.645	50	20	DDGD	
CCc1cc(C(=O)NNC(=S)NCC2CCC2)cc(O)n1	855089099	BYLAQGQGMBSKLP-UHFFFAOYSA-N	308.407	1.259	50	20	DDGD	
O=C(NN=Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccn1	758387384	KMGZQKNEDFCIBJ-UHFFFAOYSA-N	313.273	1.079	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21	933999448	OWNJCUXWZMEREW-UEXPRFDQSA-N	324.384	1.316	50	20	DDGD	
CCCCNC(=O)NNC(=O)COc1ccc(OC)c(C)c1	768562102	HURKFWASZSUBCF-UHFFFAOYSA-N	309.366	1.513	50	20	DDGD	
CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NN[C@H](C)C(F)(F)F	862317095	DKZMZPBXNUOXNP-RITPCOANSA-N	323.237	1.261	50	20	DDGD	
CCc1cccc(CC)c1NC(=O)C(=O)NNC(=O)C1CCC1	764335124	MAEUKUCFDXFAGE-UHFFFAOYSA-N	317.389	1.697	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NOCC(F)(F)F	765984521	WAUJYAPNFRYQAY-UHFFFAOYSA-N	321.255	1.062	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCC2(O)CCC2)c1C	869256894	SPKZGQPBVUCKAP-UHFFFAOYSA-N	306.362	1.920	50	20	DDGD	
CC(C)(C)OC(=O)NC[C@H]1CCCC1=NNC(=O)c1cn[nH]c1	863154318	AOSSMNQORSVWQZ-SNVBAGLBSA-N	321.381	1.820	50	20	DDGD	
COc1ccc(OCC(=O)NN[C@H](C)C(F)(F)F)cc1C	862315319	UGMBUIGVQZDLAS-SECBINFHSA-N	306.284	1.954	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NNC(=O)CCc1ccccc1O	862994976	XAAIHBDUBNSAED-CYBMUJFWSA-N	319.405	1.345	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1c[nH]nc1-c1c(F)cccc1F	767824142	XIIOCDNBPQFFBO-UHFFFAOYSA-N	308.288	1.772	50	20	DDGD	
COc1cccc([C@H](OC)C(=O)NN=c2cc[nH]c(C)c2)c1	862516465	RXPKOKRLUXBREH-HNNXBMFYSA-N	301.346	1.651	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)C(F)(F)C(F)F	766661758	HJEIZDBCGJXSTE-UHFFFAOYSA-N	314.260	1.434	50	20	DDGD	
COc1ccc(C(=O)C(=O)NNc2cnccn2)cc1Cl	761078499	OVFOMPSFPIBXFK-UHFFFAOYSA-N	306.709	1.465	50	20	DDGD	
C=C(C)COCCNC(=O)NNC(=O)COc1ccc(C)cc1	762367856	JFNDWQYDGAVOGL-UHFFFAOYSA-N	321.377	1.297	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2CCCNC2=O)c1C	864452258	OIQPGGGYCUJJDJ-NSHDSACASA-N	320.418	1.147	50	20	DDGD	
COCc1nn(C)cc1C(=O)NNC(=O)c1cc(C)cs1	862479862	DHEQABNYHMJERG-UHFFFAOYSA-N	308.363	1.011	50	20	DDGD	
O=C1NCCC[C@@H]1C(=O)NNc1c(Cl)cccc1Cl	866669441	ZYFAUJCPKKMGBK-ZETCQYMHSA-N	302.161	1.963	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=C1CCN2CCC[C@@H]12	765554510	FFKROVGUNAARRU-HNNXBMFYSA-N	301.390	1.968	50	20	DDGD	
COc1cccc(COCC(=O)NN[C@@H](C)C(F)(F)F)c1	862310007	QUXWQEKKNJZFNX-VIFPVBQESA-N	306.284	1.783	50	20	DDGD	
COCC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(Cl)cc1	863150373	SQWUGBWHJCEIKV-NSHDSACASA-N	309.753	1.085	50	20	DDGD	
CCOCn1nc(C)c(CC(=O)NNc2ccnc(F)c2)c1C	867300995	OYENXNAYEMNLNO-UHFFFAOYSA-N	321.356	1.714	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ncc2n1CCCC2	867851655	XQABWWFAZGQFLP-UHFFFAOYSA-N	300.366	1.890	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1O)c1ccnc(O)c1	768957416	HDNPXIDKKCVLHI-UHFFFAOYSA-N	307.693	1.221	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)COc2ccccc2F)CCC1=O	763282152	HWOYLIRFUQHJKT-MNOVXSKESA-N	322.336	1.357	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H]2CCC[C@@H]2CCO)c1	875516674	XGXSXGRLLZCELC-MNOVXSKESA-N	311.407	1.552	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@@H]2CCCN2C2CCCC2)c1Cl	1116347363	ZUHAYLDVHCGRMQ-NSHDSACASA-N	324.816	1.562	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc(OC)c(F)c2)n1	775514014	TVCDZXLYANJYBZ-UHFFFAOYSA-N	307.285	1.782	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1coc(-c2ccccc2Cl)n1	776474217	ONYBDEKWBORLQQ-UHFFFAOYSA-N	322.752	1.318	50	20	DDGD	
Cc1ccc(F)cc1C=NNC(=O)CNC(=O)c1cccnc1	777887427	GKTYUWFIRMXHMJ-UHFFFAOYSA-N	314.320	1.409	50	20	DDGD	
O=C(Cc1ccncc1)NNc1cncc(Br)c1	1116511805	NHBQECASEUOSPX-UHFFFAOYSA-N	307.151	1.925	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)NCC2CC=CC2)c1	875799180	YHRJCQJJSXVVPC-UHFFFAOYSA-N	317.389	1.979	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1F)C1CCS(=O)(=O)CC1	871272674	YDYGUDJWZRSSMD-UHFFFAOYSA-N	320.773	1.747	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@@](C)(O)C(C)C	770212897	VNMPZYXVYNQYMZ-INIZCTEOSA-N	324.377	1.019	50	20	DDGD	
C[S@](=O)c1ccc(NC(=O)NNC(=O)C2CCCC2)cc1	1116589131	QJWNTMUGFPSMBV-NRFANRHFSA-N	309.391	1.767	50	20	DDGD	
NC(=O)CCC1CCN(S(=O)(=O)CCCCCl)CC1	780826528	CHKRDGIMUAPCFB-UHFFFAOYSA-N	310.847	1.313	50	20	DDGD	
COC[C@H](C)C(C)=NNC(=O)c1nn(-c2ccccc2)cc1O	777877036	IUHMOBSMAKWPEM-NSHDSACASA-N	316.361	1.966	50	20	DDGD	
CCc1cnccc1[C@@H](C)NC(=O)NNC(=O)c1cnn(C)c1	773756186	GVNPQLAQMUDSRO-SNVBAGLBSA-N	316.365	1.083	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(Br)nc1C	879099196	HXPMKJUKTOLQHZ-UHFFFAOYSA-N	317.143	1.887	50	20	DDGD	
COC1(CO)CCN(/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)CC1	773945892	RILVVMIWNHILLV-UUASQNMZSA-N	317.345	1.933	50	20	DDGD	
CC#CCCNC(=O)NNC(=O)COc1cc(C)ccc1C	776206919	ZTFSFUJSWKBOFP-UHFFFAOYSA-N	303.362	1.426	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc(CCC(=O)OC)c1	881095464	PAKPUZMWWFNWQA-UHFFFAOYSA-N	322.365	1.490	50	20	DDGD	
COc1ccc(CCCC(=O)NNC(=O)C2CCOCC2)cc1	883062820	SIUYACYOTZLXIM-UHFFFAOYSA-N	320.389	1.592	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc(Cl)nc1F	882678189	MBNJPKBEMNPFTP-LURJTMIESA-N	309.750	1.230	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(F)c(F)c1)S(=O)(=O)C1CC1	885114361	ZODUYYVGNGGCRK-UHFFFAOYSA-N	318.345	1.764	50	20	DDGD	
COC(=O)c1ccc2[nH]cc(C=NNC(=O)C(C)(C)O)c2c1	785466714	UXJDACPEXKJCDF-UHFFFAOYSA-N	303.318	1.176	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@]2(C)CCCOC2)cc1	781138053	HMCDQFWVCSOXPV-INIZCTEOSA-N	306.362	1.338	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=Cc1ccc(Cl)cc1F	783521029	NQHARNTZQAZLEJ-UHFFFAOYSA-N	324.699	1.373	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)c1cc2nn[nH]c2cc1F	781968012	JABHOUBRSIJGPL-UHFFFAOYSA-N	306.688	1.902	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2c3c(nn2C)CCCC3)n1	880620397	YDVFRQAMGPBNNW-UHFFFAOYSA-N	315.381	1.854	50	20	DDGD	
C[C@@H]1C(=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CCC[C@H]1C	781123048	PXJAGFQSJDMHOG-OUAUKWLOSA-N	301.412	1.285	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)COc1cc(C)on1	780731016	UPMZSIZSWYUPGO-UHFFFAOYSA-N	305.290	1.292	50	20	DDGD	
CC(C)[C@@H]1CCCN(CC(=O)NNC(=O)c2ccccc2)C1	781982635	PCXBQSHKEWFGBL-OAHLLOKOSA-N	303.406	1.816	50	20	DDGD	
COc1ccc([C@@H](NC(C)C)C(=O)NNc2ccncn2)cc1	897884587	ZBSHESVXZOVEFD-OAHLLOKOSA-N	315.377	1.668	50	20	DDGD	
COc1cc(C)ccc1C(=O)NNC(=O)c1cccc(C#N)c1	780597778	GYLUPVDNUDSUAQ-UHFFFAOYSA-N	309.325	1.950	50	20	DDGD	
Cc1cccc(NNC(=O)NCc2cccc3c2OCCO3)n1	899086064	LONDJLQNQOMFPK-UHFFFAOYSA-N	314.345	1.988	50	20	DDGD	
COc1ccc(F)cc1CCNC(=O)NN=c1cc[nH]c(C)c1	890969700	LIHUKAYWDRZZLD-UHFFFAOYSA-N	318.352	1.828	50	20	DDGD	
C[C@@H]1CCCN1CCNC(=O)NNC(=O)c1ccc(Cl)cc1	897474095	LQXUUMVYWILCRA-LLVKDONJSA-N	324.812	1.768	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)C2CCOCC2)cc1C	894097128	BWLAISGPWNIELY-UHFFFAOYSA-N	320.389	1.646	50	20	DDGD	
CC(Cn1cc(C(F)(F)F)ccc1=O)=NNC(=O)C(C)(C)O	794536571	QRKCOJZDJSOEEG-UHFFFAOYSA-N	319.283	1.130	50	20	DDGD	
CS/C=C/C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	798308056	NYWBQPLIJZEJNF-VOTSOKGWSA-N	307.375	1.266	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2cn(C(C)(C)C)nn2)cs1	790146322	UEKNVKPUDWXLLP-UHFFFAOYSA-N	306.395	1.491	50	20	DDGD	
COC(=O)C[C@@H]1CCC(=NNC(=O)c2ccc(O)c(O)c2)[C@H]1C	794558676	HVWXJVGMKCCGSO-UWVGGRQHSA-N	320.345	1.793	50	20	DDGD	
COc1coc(C(=O)NNc2ccccc2[N+](=O)[O-])cc1=O	798822918	CEYLYLXDTXJHNP-UHFFFAOYSA-N	305.246	1.314	50	20	DDGD	
COCCN(CC(=O)NNC(=O)C(C)(C)C)[C@H]1CC[C@H](C)C1	792463432	IPIZLICLYYOUGP-STQMWFEESA-N	313.442	1.317	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1	791023686	DLMPDQLDWSPYTN-UHFFFAOYSA-N	320.267	1.129	50	20	DDGD	
CSSCCNC(=O)c1coc(S(=O)(=O)N(C)C)c1	791117447	XNYKBHKEPPOGNI-UHFFFAOYSA-N	324.449	1.271	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)[C@H]1CCC(F)(F)C1	795092459	GGRYOHHDXHXTMD-VIFPVBQESA-N	318.345	1.969	50	20	DDGD	
CCc1occc1C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1	798105714	CUHVWYPOGJYIFP-TXEJJXNPSA-N	323.393	1.102	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C1CCOC[C@H]1C	794470780	AETQXAZQBSGUGG-GFCCVEGCSA-N	306.362	1.993	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1ccnn1CC(F)F	790723398	GAQNMBDMABITFD-UHFFFAOYSA-N	302.672	1.349	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)c3ccccc32)n1	791049620	LZCRDQKIQKJHSW-CQSZACIVSA-N	323.352	1.911	50	20	DDGD	
CNC(=O)NC1CCN(C[C@@H](CBr)C2CC2)CC1	1334994521	HKJFQCQSKQJYJI-LLVKDONJSA-N	318.259	1.801	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1	1163322835	AADKKEOBYQZJLN-JIMOISOXSA-N	314.332	1.735	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NOCCC(F)(F)F)cc1	1320505520	WKZRXIGXQFKMIA-UHFFFAOYSA-N	321.255	1.523	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)CN(C)Cc1ccccc1)C1CC1	1328430687	MLWSHXLLOHQXDO-LBPRGKRZSA-N	320.462	1.412	50	20	DDGD	
O=C(NN=C1CCN(Cc2ccccn2)CC1)c1cccnn1	1330890148	ITSIOGGYAQPILI-UHFFFAOYSA-N	310.361	1.253	50	20	DDGD	
N#Cc1ccncc1C(=O)NNc1nc(-c2ccncc2)no1	1330123689	QVBSSJRSLVHZIP-UHFFFAOYSA-N	307.273	1.155	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(C(F)F)cc1	1338077669	BPZKOLUGEPJOKH-UHFFFAOYSA-N	314.292	1.255	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ncc(Br)cn1	1332886823	SOHFEBDZXMQQMV-UHFFFAOYSA-N	301.144	1.046	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNc1ccc(F)cn1)c1cnn(C)c1	1342458287	PQDWCYIWWMTNBY-CYBMUJFWSA-N	306.345	1.978	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)[C@H]3C[C@@H]3F)n[nH]2)cc1	1518937771	WKKGSUTYCWRVTC-QWRGUYRKSA-N	302.309	1.504	50	20	DDGD	
COc1cc(C)sc1C(=O)NNc1ncccc1C(=O)O	1604701199	YOWCFIIOCGITNW-UHFFFAOYSA-N	307.331	1.915	50	20	DDGD	
Cc1nnc(NC(=O)NNc2ccc(C(=O)O)cc2F)s1	1608018817	LGDSIKVLBYLLNI-UHFFFAOYSA-N	311.298	1.832	50	20	DDGD	
NC[C@H](NC(=O)NNc1ccc(F)c(C(=O)O)c1)C1CCCC1	1601182171	IWSMLDHGQRUARK-ZDUSSCGKSA-N	324.356	1.668	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2cc(C3CC3)no2)cc1	1608781503	HBYICOGRDINNFY-UHFFFAOYSA-N	301.302	1.936	50	20	DDGD	
O=C(O)COc1ccc(NC(=O)NNc2ccc(F)cn2)cc1	1602086459	GEISBTMXDXDVAY-UHFFFAOYSA-N	320.280	1.833	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)c1F	1602448028	KLYPJOUAADMXTD-SFGNSQDASA-N	306.293	1.582	50	20	DDGD	
Cc1cccc2nc(C(=O)NNc3ccc(C(=O)O)cn3)cn12	1600560334	PGTLJEHCMMDCBM-UHFFFAOYSA-N	311.301	1.493	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)[C@@H]1C[C@@H]2C=C[C@H]1CC2	1606858621	ZRMGFHQZSDQLLR-JFGNBEQYSA-N	311.349	1.307	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccccc2C(=O)O)c1C1CC1	1601021187	WLOQMPDSAAGXOS-UHFFFAOYSA-N	300.318	1.753	50	20	DDGD	
O=C(Cc1ccc(O)cc1)NNc1ccc(C(=O)O)cc1F	1608363614	ROTZLMRNYLDQBL-UHFFFAOYSA-N	304.277	1.915	50	20	DDGD	
N#CCCn1ccc(NC(=O)NNc2ncccc2C(=O)O)n1	1605586498	XZMSMKNMEAOUKF-UHFFFAOYSA-N	315.293	1.039	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2ccc(-n3ccnc3)nc2)c1	1602450063	HBKGKXQEOFARFK-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
Cc1cc(C)n([C@H](C)C(=O)NNc2cccc(C(=O)O)c2)n1	1600178623	ZMTCAQXVCKDISY-LLVKDONJSA-N	302.334	1.902	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1nc(CC(=O)O)cs1	1600592547	IQIHRNRTZDRZJB-UHFFFAOYSA-N	307.335	1.622	50	20	DDGD	
COc1ncc(/C=C/C(=O)NNc2ccccc2C(=O)O)cn1	1607359873	RYOVNGQKCHSMGV-VOTSOKGWSA-N	314.301	1.340	50	20	DDGD	
Cc1c(CC(=O)NNc2ccc(C(=O)O)cc2F)cnn1C	1607526846	RKLPWGCDPSUZCH-UHFFFAOYSA-N	306.297	1.252	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@@H]1CSCCS1	1602230781	ORHNLEBGJRGPEI-VIFPVBQESA-N	316.379	1.816	50	20	DDGD	
CNc1ccccc1C=NNC(=O)[C@H]1CN2CCC[C@H]2CO1	1549905366	QSVJWUKUHSUORU-DZGCQCFKSA-N	302.378	1.042	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2ccoc2C(=O)O)cc1	1610505704	DEUDEJOVTDMJRF-UHFFFAOYSA-N	315.285	1.375	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@@H]1C(=O)NN=C1CCOC1(C)C	1549312058	ADYKZVUCEDBCLI-FZMZJTMJSA-N	320.393	1.559	50	20	DDGD	
O=C(O)COc1ccc(C(=O)NNc2ncncc2Cl)cc1	1610785876	NDJOVURNMBLPNE-UHFFFAOYSA-N	322.708	1.350	50	20	DDGD	
CCn1cc([C@H]2OCC[C@H]2C=NNC(=O)C2CCOCC2)cn1	1552919460	JJJPLCGVXXEAAS-ZFWWWQNUSA-N	320.393	1.509	50	20	DDGD	
CC(=O)NNC(=O)Cc1ccc(OCc2c(C)noc2C)cc1	1624651800	OACVUFBCGNVVLI-UHFFFAOYSA-N	317.345	1.580	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C[C@H](N)CC(C)C	1579307485	SHEXIRMIHPANEW-CYBMUJFWSA-N	307.394	1.149	50	20	DDGD	
N[C@@H]1[C@@H](C(=O)NNC(=O)Nc2cc(F)cc(F)c2)[C@H]2C=C[C@H]1C2	1574284902	ZQKTVXKUMODNSR-XMUKKISLSA-N	322.315	1.267	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CC2CC(N)C2)cc1C	1579724125	QOECFAYKTLAUBF-UHFFFAOYSA-N	306.435	1.748	50	20	DDGD	
CC[C@@]1(C(=O)NNc2ncccc2Br)CCCN1	1577198617	QXYDXCQHENKLNO-LBPRGKRZSA-N	313.199	1.819	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2ncc[nH]2)C1	1842303169	XFBUEVNJQDRTOB-JTQLQIEISA-N	310.785	1.244	50	20	DDGD	
CC(C)CO[C@@H]1CS(=O)(=O)C[C@@H]1I	158191260	JGEDEIDODOWKHZ-JGVFFNPUSA-N	318.176	1.260	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H](C)S)C1	1846366357	JUUWFOSBKFTOHP-QWRGUYRKSA-N	318.870	1.916	50	20	DDGD	
O=C(CCCC(=O)C1CC1)NNc1ccc(-c2nn[nH]n2)cc1	1592834005	OQRKAYLUPNLHPI-UHFFFAOYSA-N	314.349	1.459	50	20	DDGD	
COc1cccc(O)c1C(=O)NNc1cccc(F)c1C(=O)O	1599680375	NNXVDUFUOAOWGF-UHFFFAOYSA-N	320.276	1.995	50	20	DDGD	
O=C(COc1ccc(-c2nn[nH]n2)cc1)NN=C[C@@H]1CC12CC2	1592890640	MQVJTPPACKUDFR-NSHDSACASA-N	312.333	1.148	50	20	DDGD	
CNC(=O)/C(C#N)=C/c1ccc(N2CCC(C(=O)O)CC2)o1	1593788534	HDNSIYVCVAQIJN-DHZHZOJOSA-N	303.318	1.234	50	20	DDGD	
Cc1conc1NC(=O)NNc1cccc(-c2nn[nH]n2)c1	1592312623	PSHINVKCARPUHS-UHFFFAOYSA-N	300.282	1.312	50	20	DDGD	
O=S(=O)(CCCCl)Oc1cccc(-c2nn[nH]n2)c1	1593418668	IHWYZFJFDLGBHD-UHFFFAOYSA-N	302.743	1.204	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2ccc(CCC(=O)O)o2)cs1	1776029128	QRFAEEAMWXCYEK-UHFFFAOYSA-N	321.358	1.755	50	20	DDGD	
O=C(O)CCc1ccc(C=NNC(=O)Cc2cccnc2)o1	1776043176	SJSLBQQAJWVCDM-UHFFFAOYSA-N	301.302	1.385	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Cn2nc(C)cc2C)cc1	15462501	MFGSLQXGVXNNOW-UHFFFAOYSA-N	300.362	1.524	50	20	DDGD	
O=Cc1cccc(OCCC(=O)NNc2ncc(F)cn2)c1	157451506	CFSAZMBFAZEXRG-UHFFFAOYSA-N	304.281	1.340	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)Cc1cccc(F)c1	8350610	QERDFVSPWGSQFE-UHFFFAOYSA-N	320.295	1.734	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1	58168531	STDFYMHMLIGETR-UHFFFAOYSA-N	308.341	1.740	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)C(=O)c2cccs2)o1	176220509	FYZQPNSHBRRJMW-UHFFFAOYSA-N	321.358	1.183	50	20	DDGD	
C#CCN1CCN(C(=O)/C(C#N)=C/c2ccc(OCC)cc2)CC1	171980742	RMUBSIKTFMNBJE-SAPNQHFASA-N	323.396	1.770	50	20	DDGD	
CSc1ccc(C)c(C(=O)NNC(=O)c2cnn(C)c2)c1	117821049	MAZODKVJLUJXEB-UHFFFAOYSA-N	304.375	1.525	50	20	DDGD	
Cn1cc(CC(=O)NNC(=O)Cc2ccc3ccccc3c2)cn1	171257127	UNBNEWSYKFTBSP-UHFFFAOYSA-N	322.368	1.506	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)N[C@@H]1CCOC1	178752727	AUHRIPQHGDDCJY-LLVKDONJSA-N	312.757	1.142	50	20	DDGD	
CSC[C@H](CCO)NC(=O)c1c(C)nn(CCCl)c1C	305684811	OKHRGRMVQJPPDU-NSHDSACASA-N	319.858	1.583	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCC[C@@H]1C[C@@H]2CC[C@@H]1C2	177464163	DMGUUKZWQXCXGI-RBSFLKMASA-N	316.405	1.781	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC[C@@H]1CCCO1)c1ccccc1	68446464	FSXXOADBQSKDJZ-UONOGXRCSA-N	305.378	1.690	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)C[C@@H]1CCc2ccccc21	115215338	GYFJHVFNUPCHJV-HNNXBMFYSA-N	309.369	1.892	50	20	DDGD	
CNc1nc(C(=O)NNc2ccc(OC)cc2[N+](=O)[O-])cs1	121843732	NVLGTGTUBGGHSQ-UHFFFAOYSA-N	323.334	1.859	50	20	DDGD	
O=C(Cc1csc(-c2ccccc2)n1)NNC(=O)NC1CC1	64429077	AYYULBLOFJSQLU-UHFFFAOYSA-N	316.386	1.845	50	20	DDGD	
CCNC(=O)NNC(=O)CCCNC(=O)OCc1ccccc1	65189408	QDWFSACBLYYALZ-UHFFFAOYSA-N	322.365	1.043	50	20	DDGD	
CC[C@H]1C[C@@H](C(=O)NNc2nc3ccccc3c(=O)[nH]2)CCO1	184182030	HCEAYDJGJLTVRH-QWRGUYRKSA-N	316.361	1.571	50	20	DDGD	
O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)N2CCCC2)C1	181241496	JRIRAMFSIFNASB-CYBMUJFWSA-N	317.393	1.453	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cccc(F)c1Cl	79762365	OPVJCMKYLBLTSW-UHFFFAOYSA-N	303.721	1.460	50	20	DDGD	
O=C(NCCOc1cccc(Cl)c1)NNc1cccnn1	77345180	AKFINQOQGWHTTA-UHFFFAOYSA-N	307.741	1.835	50	20	DDGD	
CCCc1csc(NC(=O)NNC(=O)c2cccnc2)n1	184026438	IQIUXKMRHZXWTR-UHFFFAOYSA-N	305.363	1.957	50	20	DDGD	
COCCC(C)(C)CNC(=O)NNc1cncc(Cl)n1	185140604	PCPDCUOXWXUSNA-UHFFFAOYSA-N	301.778	1.819	50	20	DDGD	
O=C1C[C@H](C(=O)NNC(=O)c2ccc3ccccc3c2)CCN1	126664362	CMYRAJISZDXCCK-CQSZACIVSA-N	311.341	1.127	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1O	185390247	UKMHZNOADXOGNP-UHFFFAOYSA-N	318.245	1.966	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2ccnc(F)c2)c1	181121058	BZPNFCQTRSWXCX-UHFFFAOYSA-N	309.322	1.381	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cc2c([nH]c1=O)CCCCC2	131064471	JTJMNVGBZXKRCX-UHFFFAOYSA-N	319.405	1.841	50	20	DDGD	
CCn1nccc1C(=O)NNc1ccc(C(F)(F)F)nn1	131926189	GMJUNJAEFRVZNM-UHFFFAOYSA-N	300.244	1.469	50	20	DDGD	
O=C(NNc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)nc1	137213674	YHQLEKOFGWEBFZ-UHFFFAOYSA-N	315.720	1.728	50	20	DDGD	
CN(C)[C@@H](C(=O)NNC(=O)c1cccn1C)c1ccccc1	195458341	POEMVQAMYVNYDT-CQSZACIVSA-N	300.362	1.089	50	20	DDGD	
CC(=O)NNC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1	45826890	DFIQEOPAVRJMFH-UHFFFAOYSA-N	318.354	1.967	50	20	DDGD	
O=C(CSCc1ccccn1)NNc1nc2ccccn2n1	191927536	ZWRKJDQSAIYUAH-UHFFFAOYSA-N	314.374	1.501	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)Cc1ccccc1F)C(C)C	80602854	RXGGOUOGYVRVGK-ZDUSSCGKSA-N	311.357	1.370	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C2CCOCC2)c2ccccc21	198373894	PTILEHMQDRHNRX-UHFFFAOYSA-N	301.346	1.366	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNC(=O)CCc1ccccc1O	92545839	TVJYNAWWBLAXLU-UHFFFAOYSA-N	316.361	1.082	50	20	DDGD	
C[C@@H]1CCCN([C@H](C)CNC(=O)NNC(=O)CC(C)(C)C)C1	246070869	BSHLNZCRXIJLTM-CHWSQXEVSA-N	312.458	1.873	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c1	249104041	HTXRNXJBAPMTIM-HUBLWGQQSA-N	317.389	1.691	50	20	DDGD	
Cn1c(NNC(=O)C(F)(F)C(F)F)nc2ccccc2c1=O	267245784	JUIXUUZIWXSXTL-UHFFFAOYSA-N	318.230	1.277	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CC[C@@H]1CCOC1)c1ccccc1	267548774	FPNNWCQFDLQXEV-CYBMUJFWSA-N	304.390	1.928	50	20	DDGD	
CC(C)[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)CC(C)(C)C	264011927	GHAIJZBDIURTAM-ZDUSSCGKSA-N	323.393	1.618	50	20	DDGD	
CCC(=O)N1CC[C@@H](NC(=O)NNc2c(F)cccc2F)C1	268561194	OFRMPLYFCYHRAD-SECBINFHSA-N	312.320	1.602	50	20	DDGD	
C#CCOc1ccccc1CNC(=O)NNC(=O)OC(C)(C)C	265176545	PMLVQSOHZWLGHI-UHFFFAOYSA-N	319.361	1.938	50	20	DDGD	
CC1(C)[C@H](NC(=O)NNC(=O)c2ccccc2O)[C@@H]2CCO[C@H]21	265916929	CMBDTUWNYBFVGR-CYZMBNFOSA-N	319.361	1.150	50	20	DDGD	
CC(C)n1cc(C(=O)NNC(=O)COc2ccccc2F)cn1	276054079	BEUWNWKQMXPEEB-UHFFFAOYSA-N	320.324	1.443	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)COc2ccccc2F)CCCOC1	272592890	CUJHPMSIWQBKBZ-OAHLLOKOSA-N	310.325	1.169	50	20	DDGD	
COCc1ccc(C(=O)NNC(=S)NCCSC)cc1	271277097	NLBLOHKWHRFAOP-UHFFFAOYSA-N	313.448	1.305	50	20	DDGD	
CC[C@H]1C[C@@H](CC(=O)NNC(=O)c2ccc(C#N)cc2)CCO1	273169815	KITWGVJYLJBHQD-ZFWWWQNUSA-N	315.373	1.915	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@@H]1CCCN1C1CC1	279808283	XABLRPQZKMETCU-AWEZNQCLSA-N	305.353	1.142	50	20	DDGD	
Cc1cccc2c1CN(CC(=O)NNC(=O)c1ccccc1)CC2	277101435	GOKAKBREXMJUTQ-UHFFFAOYSA-N	323.396	1.814	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1c(C)cc(C)cc1OC	277560606	ROTZQMPEFSQGDT-SNVBAGLBSA-N	314.407	1.668	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(C)cc2c[nH]nc12	271506876	ZSGNJFWMGXCWDE-UHFFFAOYSA-N	323.447	1.343	50	20	DDGD	
Cn1cnc(-c2ccc(NC(=O)NNC(=O)CC3CC3)cc2)n1	274677104	VLCQZHSFXIWYTE-UHFFFAOYSA-N	314.349	1.435	50	20	DDGD	
CS[C@H](C(=O)NNC(=O)N1CCN(C)CC1)c1ccccc1	287722958	GGNZWIAJRHQSDF-ZDUSSCGKSA-N	322.434	1.079	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)N[C@@H]1CCC[C@H]2OCC[C@H]12	372808911	VHTSLOTUOKRVOA-MPKXVKKWSA-N	319.361	1.294	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C[C@H]1CCC(=O)[C@H]1C	280591040	SYLGWCWPYSUWCC-WDEREUQCSA-N	304.346	1.462	50	20	DDGD	
CSSCCNS(=O)(=O)c1cnn(CC(F)F)c1	284088833	ANEURWQGZHCVJB-UHFFFAOYSA-N	317.408	1.438	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)NC1CCCC1)c1ccc2c(c1)OCO2	292279352	XRYSMJAMJAMJKP-SNVBAGLBSA-N	319.361	1.792	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1nc2cccnc2s1	806536930	LOEQTHWPSZNOML-UHFFFAOYSA-N	304.253	1.405	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc2cc(OC)ccc2c1	806970482	LQRLFWCUOLSZED-UHFFFAOYSA-N	315.329	1.344	50	20	DDGD	
O=C(COc1ccc2c(c1)CCCC2)NNC(=O)CC1CC1	294278573	VJERBCQRFBFKAL-UHFFFAOYSA-N	302.374	1.892	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(C(F)(F)F)[nH]1	807975303	NKOGBIMAMYKGDM-QMMMGPOBSA-N	307.272	1.535	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COCc2ccccn2)c(O)c1	805167967	RNRDAMBOKMOSFK-UHFFFAOYSA-N	315.329	1.073	50	20	DDGD	
O=C(NNc1ncccc1F)[C@@H]1CC(c2cccc(F)c2)=NO1	804211237	IMRGUCRZAHKYOX-ZDUSSCGKSA-N	318.283	1.996	50	20	DDGD	
O=C(CCc1ccc(F)cc1F)NNC(=O)N=c1cc[nH]cc1	802030131	XMMIALSBPHBDDE-UHFFFAOYSA-N	320.299	1.567	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc(F)c(F)c1F	295609137	QOEOFTBVUFUCSX-SECBINFHSA-N	302.252	1.434	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)[C@@H]1CCCO1	292843900	QPLXWGXJWRBIIT-NSHDSACASA-N	308.294	1.235	50	20	DDGD	
O=C(CC1(O)CCCC1)NNc1ccc2c(=O)[nH]ccc2c1	803433345	MAZJZNQGTHLVRK-UHFFFAOYSA-N	301.346	1.666	50	20	DDGD	
CCCN1CCC[C@H]1CNC(=O)NNC(=O)c1ccccc1	807549964	MHYBCMFCZOCUSM-AWEZNQCLSA-N	304.394	1.505	50	20	DDGD	
Cn1cnc2c(C(=O)NNc3ccccc3[N+](=O)[O-])ccnc21	805155702	PHUDHHUSFKLXOE-UHFFFAOYSA-N	312.289	1.633	50	20	DDGD	
CCOc1ccc(C(=O)NN=C(CCOC)COC)cc1OC	812224517	FECJXLVVTCRZPT-UHFFFAOYSA-N	324.377	1.863	50	20	DDGD	
Cc1cccc2c(C(=O)NNC(=O)C(=O)N3CCCC3)coc12	819199652	DAMQXWZXQDSTLU-UHFFFAOYSA-N	315.329	1.125	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@@H](C)CN(C)C(C)C	811931128	UWTOMSRBFAIWLN-AWEZNQCLSA-N	320.437	1.597	50	20	DDGD	
CCc1nn(C)c(OC)c1C=NNC(=O)Cc1cccnc1	814837947	RXCIMRGVUUNIGA-UHFFFAOYSA-N	301.350	1.079	50	20	DDGD	
O=C(CCCOc1ccc2c(c1)OCO2)NNC(=O)CC1CC1	819135751	CTZUGWYPNREKMQ-UHFFFAOYSA-N	320.345	1.522	50	20	DDGD	
CCOc1ccc(NNC(=O)C[C@@H]2SC(=N)NC2=O)cc1	817899035	GAGYNLRHSKSDAF-JTQLQIEISA-N	308.363	1.085	50	20	DDGD	
CCN1CCC(CNC(=O)NNC(=O)c2ccccc2F)CC1	726280634	XKGTYFDCWKGYDK-UHFFFAOYSA-N	322.384	1.502	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNC(=O)Cn1ccc2ccccc21	810353879	WKPVFYNXWJYCPV-INIZCTEOSA-N	301.346	1.116	50	20	DDGD	
Cc1nc(CC(=O)NNc2nc(-c3cccnc3)no2)cs1	728078346	BBOIHKZFUGPHSA-UHFFFAOYSA-N	316.346	1.582	50	20	DDGD	
CC(C)(C)OC(=O)C(C)(C)CCNC(=O)NNc1cccnn1	823837055	WIVXFMYHUWKNPE-UHFFFAOYSA-N	323.397	1.861	50	20	DDGD	
CC(C)(C)c1n[nH]c(CNC(=O)[C@@]2(C)C[C@@H]2Br)n1	820103163	YPGXSTKUBGPODA-MADCSZMMSA-N	315.215	1.892	50	20	DDGD	
COc1ccccc1/C(C)=C/C(=O)NNc1nnc(C)c(O)n1	727484672	RSBBOXVTAIVVNY-CMDGGOBGSA-N	315.333	1.441	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)OCc2ccc(F)cc2)ncn1	825854085	FCDXKDXZWITZAF-NSHDSACASA-N	304.325	1.973	50	20	DDGD	
N#Cc1ccsc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	826387627	HGEXSHVLNZWSCX-UHFFFAOYSA-N	311.330	1.557	50	20	DDGD	
Cn1ccnc(NNC(=O)[C@@H]2CCC[C@H]2c2ccccc2)c1=O	826620781	UXFVBSNRQMVLIF-UONOGXRCSA-N	312.373	1.807	50	20	DDGD	
CCN(C)c1ccc(/C=C(/C#N)C(=O)N=c2cc[nH]cc2)cn1	491048147	KKPIEXXOWMTFIX-UVTDQMKNSA-N	307.357	1.900	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC[C@H](C)C2(CCC2)C1	827280747	DETHLPJIRPCSCS-RWMBFGLXSA-N	309.410	1.664	50	20	DDGD	
Cc1ccoc1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	826315956	ZKICMHXFVCQSJK-UHFFFAOYSA-N	319.712	1.573	50	20	DDGD	
CC(C)CC1CCN(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)CC1	827290656	XTBJATPGBZUFBB-JSGCOSHPSA-N	311.426	1.910	50	20	DDGD	
CC1(C)C[C@]1(C(=O)NNC(=O)Cc1cc[nH]n1)c1ccccc1	826666422	FIQYUOWOXDFUKC-QGZVFWFLSA-N	312.373	1.468	50	20	DDGD	
CCOc1cc(C(=O)NNC(=O)CCc2ccccc2)on1	822935121	NEAALQYUDKMBKJ-UHFFFAOYSA-N	303.318	1.467	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12	825771438	YAFWPCVGDCPMAW-NIWXFNQGSA-N	321.421	1.567	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)Nc1ccnc(OCCO)c1	825863295	CQWQRGWUMKARCP-UHFFFAOYSA-N	322.365	1.186	50	20	DDGD	
CCSC1(CNC(=O)NNc2nc3ccccn3n2)CC1	823013005	USKKCLFRBQRSIR-UHFFFAOYSA-N	306.395	1.641	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)Nc2ccc(Cl)cc2)CO1	827617703	LDBZPKUYMUHMET-LDYMZIIASA-N	312.757	1.853	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(C(=O)OC)c(OC)c1	495910223	LHKJMMHDLAVQOB-UHFFFAOYSA-N	311.294	1.264	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1ccc(OCC(F)F)cc1	495249476	FCLKFYOPMMELRN-UHFFFAOYSA-N	324.305	1.270	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1ccc(Cl)nc1)N1CCCCC1	906238860	PIHCYAUZOAMMDV-UHFFFAOYSA-N	324.812	1.761	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)n1	822208986	POJCXUSABBCDNF-COPLHBTASA-N	306.410	1.720	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)Cc1csc(-c2cccc(F)c2)n1	823983375	RXJOKSFCIDQBPL-JTQLQIEISA-N	323.393	1.836	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCCc1nnc(-c2ccccc2)o1	823971036	NQRAHSIMWXAEDP-LBPRGKRZSA-N	318.377	1.403	50	20	DDGD	
CC1=C(Br)CN(CC(=O)NNC(=O)C(C)C)CC1	829397063	BEMODPQLKHEPMZ-UHFFFAOYSA-N	318.215	1.164	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCOC[C@H]1c1noc(C(C)C)n1	490847430	XSBBGBMHIGYPKO-OBIHZWKSSA-N	320.349	1.537	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@@]2(Cl)C[C@H]3CC[C@H]2O3)cc1	906460795	WVESFRHQKDVVEX-LALPHHSUSA-N	319.748	1.248	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(S)n1)c1cc(C)oc1C	730586153	AAUOAXKGRFDHTI-UHFFFAOYSA-N	320.374	1.764	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NOCC2CCC2)c(F)c1	824111382	ITWIMHHRZXHLBI-UHFFFAOYSA-N	311.313	1.970	50	20	DDGD	
CCn1c([C@@H](C)NCc2ccc(B(O)O)o2)nc2ccccc21	585032821	NLJRDGDXDROYOE-LLVKDONJSA-N	313.166	1.180	50	20	DDGD	
C[C@@H]1SCC[C@H]1NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	828524678	FBMCFEVWXCVYSF-GZMMTYOYSA-N	324.362	1.433	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNc2cc(Cl)nc(N)n2)cc1	492648835	OSAVJCLCLOKIOC-DAXSKMNVSA-N	319.752	1.877	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)c1cnc(C2CC2)o1	900435126	DXHNEICGOFVWQE-UHFFFAOYSA-N	315.329	1.782	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H]2C[C@@H]2C(=O)O)c1	738573803	KYBPDJRBOLOTIL-UWVGGRQHSA-N	307.375	1.342	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cnc(C(C)(C)C)nc1	831368225	DOOSGBANSNQXPY-MWLCHTKSSA-N	321.381	1.352	50	20	DDGD	
CCO[C@H]1C[C@@H](NCc2ccccc2B(O)O)C12CCCC2	585026014	BMRYFHNKIQMIPL-CVEARBPZSA-N	303.211	1.194	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@](C)(c2ccccc2)C1	733313644	ZFVZCPQRLWGSPF-KDOFPFPSSA-N	317.433	1.986	50	20	DDGD	
CCN1CCCN(C(=O)[C@@]2(C)C[C@H]2Br)CC1=O	907650676	HAEKVACQPANONR-SKDRFNHKSA-N	303.200	1.241	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc(C(=O)OC)cc1F	905428689	ALJCMQMTEVBFQK-UHFFFAOYSA-N	323.368	1.794	50	20	DDGD	
N#CCOc1ccc(CC(=O)NNC(=O)CC(F)(F)F)cc1	732274999	PSZYVDABQZVHNV-UHFFFAOYSA-N	315.251	1.231	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CN(C)C(C)(C)C)cc1OC	830546347	WEMRNPJMYACGQK-UHFFFAOYSA-N	323.393	1.195	50	20	DDGD	
O=C(NN[C@H](C(=O)O)c1cccnc1)c1c[nH]c2ccccc12	833149157	GSTOUNWRSBYCGL-AWEZNQCLSA-N	310.313	1.623	50	20	DDGD	
O=C(CC1C2CC3CC(C2)CC1C3)NNC(=O)c1ncon1	832830755	VMSDJDZPYOGXDU-UHFFFAOYSA-N	304.350	1.293	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCC(=O)c1ccc2c(c1)CCC2	910178621	NRGFONZAYOCQQX-LBPRGKRZSA-N	304.390	1.482	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C(=O)C(C)(C)C)cc1C	735833436	FCAYHSGHIRQKCN-UHFFFAOYSA-N	306.362	1.445	50	20	DDGD	
Cc1cc(C(=O)NN(C)C[C@@H](C)O)c(C)n1CC(F)(F)F	910179017	HQAPLBAQYMQOPU-SECBINFHSA-N	307.316	1.625	50	20	DDGD	
C=C(C)CCNC(=O)NNC(=O)COc1cc(C)ccc1C	838660351	KBWQPACMYVJGIM-UHFFFAOYSA-N	305.378	1.979	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCCCN(C)C1CC1	836192616	OSRKFQZLAMVOAG-UHFFFAOYSA-N	318.421	1.813	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)N[C@@H]1C[C@@H]2CCCCN2C1=O	838741322	GIBQQHGIHAKUIT-WDEREUQCSA-N	323.784	1.515	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccnc(N(C)C)n2)c(C2CC2)n1	839689002	VARQPJILOARLQF-UHFFFAOYSA-N	312.377	1.880	50	20	DDGD	
COc1cc(C(=O)NN=Cc2cccnc2)cc(OC)c1OC	916290506	UZIUEDDOHLYSAR-UHFFFAOYSA-N	315.329	1.871	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H](C)CC(=O)O)c(C)c1	832949093	OIZJTKBXCNPCKJ-JTQLQIEISA-N	309.391	1.732	50	20	DDGD	
NC(=O)CCCC(=O)NNc1cc(F)ccc1Br	839881406	NRQPADJSQWGUDO-UHFFFAOYSA-N	318.146	1.687	50	20	DDGD	
COc1ccccc1CONC(=O)NNC(=O)[C@H]1CCCCO1	836443247	MLXNGXGUCOKABC-CYBMUJFWSA-N	323.349	1.026	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC[C@@H]1c1cccc(F)c1	748833678	TYITYHDGNVXRDR-CYBMUJFWSA-N	307.369	1.766	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NNC(=O)CC(F)(F)F)n1	918366593	SOHGBFBOFCCTKP-UHFFFAOYSA-N	322.312	1.285	50	20	DDGD	
CC(C)(C)N1C[C@H](C(=O)NNC(=O)NC2CCCCC2)CC1=O	914748980	RLWOLOBYXYSYQU-LLVKDONJSA-N	324.425	1.297	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	746092167	VEPCZGJRSDUKGI-GHMZBOCLSA-N	320.349	1.229	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1ccc(O[C@H]2CCOC2)cc1	849178112	UTWRSFVFVLKPCH-DKGMDFAASA-N	317.341	1.951	50	20	DDGD	
C[C@H](OCCc1ccccc1)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843662294	SHCSFIATOSPRMN-IPYPFGDCSA-N	320.389	1.207	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)NNc1ccc(Cl)nn1	918777846	QDOMRKFVDLYIAV-UHFFFAOYSA-N	306.713	1.101	50	20	DDGD	
CCOCC(=O)NNC(=O)N=c1cc(CC)[nH]c2ccccc12	841716579	AHPWQCILIDNLNW-UHFFFAOYSA-N	316.361	1.408	50	20	DDGD	
C[C@]1(C(=O)Nc2nn3cnnc3s2)C[C@H]1Br	913490074	HHUXLNSTXBEPAC-VHWMUFPASA-N	302.157	1.298	50	20	DDGD	
CCNCCCNC(=O)NNC(=O)[C@@H](CC)c1ccccc1	841917629	QTKWOUBXEXTZFL-AWEZNQCLSA-N	306.410	1.510	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	841378304	ZHUKBBPVTWMFLD-ZDUSSCGKSA-N	321.377	1.142	50	20	DDGD	
CCC(CC)n1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n1	843663194	WAQXMTPOVUZYEH-CMPLNLGQSA-N	308.382	1.430	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2CCN(CC(F)F)C2)nc1	841594127	HYQLBUKFMQZJNA-SECBINFHSA-N	315.324	1.056	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H]2CCN[C@H](C)C2)c(F)c1	841990291	ZDVMOWYCUWJXFQ-MWLCHTKSSA-N	324.356	1.379	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc2cc(F)ccc2o1	843650507	DEBPEZRVVZQOET-KWQFWETISA-N	306.293	1.758	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2ccccc2c1O	843643609	CSLOBFJSFDZFBE-PWSUYJOCSA-N	314.341	1.731	50	20	DDGD	
O=C(O)NNC(=O)Nc1ccccc1OCCn1ccnc1	740003316	OEABHZLLERNSKQ-UHFFFAOYSA-N	305.294	1.266	50	20	DDGD	
O=C(NNC(=S)NC1CCOCC1)c1cc2ccccc2o1	749834854	WRZPEOJVMQLEBG-UHFFFAOYSA-N	319.386	1.721	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cccc2ncccc12)[C@H](C)O	842231691	MZTZBCAJGCTADE-WDEREUQCSA-N	301.346	1.403	50	20	DDGD	
O=Cc1ccc(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)[nH]1	749996258	IBVFNWOEKWLCCM-UHFFFAOYSA-N	323.312	1.088	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCN(C2CCCCC2)C1	748848951	FIHQJUCKXJBTJP-LBPRGKRZSA-N	319.409	1.134	50	20	DDGD	
CN(CCO[Si](C)(C)C(C)(C)C)[C@@H]1CCC(=O)NC1=O	844344317	XFOUZLWOYBHFRI-LLVKDONJSA-N	300.475	1.745	50	20	DDGD	
C=CC(=O)N(CC)CC(=O)NC[C@@]1(C)C[C@H]1Br	912826994	FRFLYNLDTDSUCF-BXKDBHETSA-N	303.200	1.311	50	20	DDGD	
COCCOc1ccc(Cl)cc1C(=O)NN(C)C[C@H](C)O	910162681	IRWHKBRGZPCVQP-JTQLQIEISA-N	316.785	1.323	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNc1cccc(S(C)(=O)=O)c1	841413311	KDZLDJQCXAWQPH-CYBMUJFWSA-N	314.407	1.594	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C1CCN(CC(F)(F)F)CC1	842555300	LJRCBJFNOGPFMH-ONGXEEELSA-N	307.316	1.542	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)Cc2csc(C)n2)[nH]n1	842523487	MOLLMUJIWWSJIV-UHFFFAOYSA-N	321.362	1.044	50	20	DDGD	
O=C(NN=Cc1ccccc1Br)C(=O)N1CCCC1	748137657	QZZUPSPTYVIRHH-UHFFFAOYSA-N	324.178	1.522	50	20	DDGD	
CC(C)[C@H](Cc1ccccc1)C(=O)NNC(=O)c1ncccn1	841350304	JHLHGENDXNLEBM-AWEZNQCLSA-N	312.373	1.753	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1	747353620	WJQGLXJGVGKMEK-HNNXBMFYSA-N	321.396	1.984	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)c1c(C)nc2ccccn12	749757747	QHQRCDHIRMTWIK-VIFPVBQESA-N	305.407	1.550	50	20	DDGD	
O=C(CCCn1cccn1)NNC(=O)c1cc2ccccc2o1	749473579	AMHCDVSKBZAYCA-UHFFFAOYSA-N	312.329	1.871	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2nc3c(s2)CCC3)n1	920934620	FTKYAIQEOKCFQG-UHFFFAOYSA-N	306.351	1.579	50	20	DDGD	
CCc1ncc(C=NNC(=O)[C@@H](C)CN2CCOCC2)s1	752162203	APWXJKUTBRIQAW-NSHDSACASA-N	310.423	1.124	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cn(C)nc1-c1cccnc1	920274719	FEFNCLGLANKJAB-UHFFFAOYSA-N	301.350	1.289	50	20	DDGD	
CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1F	920382408	XGSZGNMPXIFSRU-SNVBAGLBSA-N	313.354	1.036	50	20	DDGD	
Cn1ncc2c1CCCC2=NNC(=O)c1cccc(C(=O)O)c1	853426031	MUVCRTQQIUISQX-UHFFFAOYSA-N	312.329	1.589	50	20	DDGD	
C#CCNC(=S)NNC(=O)c1cc(-c2ccccc2)on1	758191524	JVBSAKSTFHTDGR-UHFFFAOYSA-N	300.343	1.084	50	20	DDGD	
COCCCNC(=O)NN=Cc1cc(OC)c2c(c1)OCO2	920829369	DJRKJSFGXATEKX-UHFFFAOYSA-N	309.322	1.094	50	20	DDGD	
Cn1nncc1NNC(=O)COc1ccc(C(F)(F)F)cc1	857271208	FBCCUAICYQFEAX-UHFFFAOYSA-N	315.255	1.356	50	20	DDGD	
Cc1ccnc2nc(C(=O)NC[C@@]3(C)C[C@H]3Br)nn12	857689411	KZLZDYULUJMUJK-PRHODGIISA-N	324.182	1.336	50	20	DDGD	
NC(=O)c1csc(C=NNC(=O)c2ccc3c(c2)OCO3)c1	755872778	UJPXNRUSWJPIQY-UHFFFAOYSA-N	317.326	1.340	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)N2CCO[C@H]3C[C@@H]32)cc1	852398567	HBVQPRXJXPOZHL-KBPBESRZSA-N	317.389	1.812	50	20	DDGD	
CCCC(=O)Nc1cccc(NC(=O)NNC(=O)COC)c1C	756219840	MMXVKRGNKSTUQG-UHFFFAOYSA-N	322.365	1.533	50	20	DDGD	
CCS(=O)(=O)NCC(=O)NNc1ccc(Cl)cc1C	928340131	NLZFNBQUNWPDCL-UHFFFAOYSA-N	305.787	1.031	50	20	DDGD	
O=C(NCCn1cccc1)NNC(=O)c1cccc(Cl)c1	753050203	SBUATDGBMTWJJA-UHFFFAOYSA-N	306.753	1.786	50	20	DDGD	
O=C(NN=Cc1cnc(N2CCOCC2)s1)c1ccncc1	755464476	VAWQKPKXNNZRNV-UHFFFAOYSA-N	317.374	1.139	50	20	DDGD	
CCCCNC(=O)NN=C[C@@H]1CCCO[C@H]1c1cnn(C)c1	853295495	RKEJJBDYODEAHK-GXTWGEPZSA-N	307.398	1.973	50	20	DDGD	
COc1cncc(C(=O)NC[C@]2(C)C[C@@H]2Br)n1	857390943	JEKGQBAZLQNUTK-KWQFWETISA-N	300.156	1.389	50	20	DDGD	
C[C@@]1(CN2C(=O)[C@@H]3C[C@H](F)CN3C2=O)C[C@@H]1Br	857227570	QBEMCQFFBTUHGK-UGYAYLCHSA-N	305.147	1.535	50	20	DDGD	
CCOc1ccc(CNC(=O)NNc2nccc(OC)n2)cc1	920342875	HISFQLCLBULFRC-UHFFFAOYSA-N	317.349	1.710	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CNC2(CC(C)C)CC2)c1	852683453	XCRKZPQTDOUZRX-UHFFFAOYSA-N	303.406	1.924	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2cnc3n2CCC3)ccc1C	857264233	SGLVDVSXEHXIQF-UHFFFAOYSA-N	314.345	1.681	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)Oc1ccc(F)cc1)c1nccn1C	755563289	RDVRNPGYKJQRDO-LLVKDONJSA-N	304.325	1.867	50	20	DDGD	
CC(C)O[C@H](C(=O)NNC(=O)c1cc[nH]n1)c1ccccc1	855356161	MYFDFVRVIGAYCR-ZDUSSCGKSA-N	302.334	1.337	50	20	DDGD	
CC(C)[C@@H]1C[C@H](c2nc(-c3cccc(B(O)O)c3)no2)CCO1	924145733	KHBIYAJGQNZXEE-OCCSQVGLSA-N	316.166	1.335	50	20	DDGD	
CC(C)(C)OC(=O)[C@]1(C(=O)NNC(=O)CC2CC2)CC1(C)C	854667601	MXJIGMAWIOUEQS-MRXNPFEDSA-N	310.394	1.692	50	20	DDGD	
O=C(NNC(=O)[C@@H]1Cc2cc(F)ccc2O1)OCC(F)(F)F	856021141	HWSAKAGYCOFHES-VIFPVBQESA-N	322.214	1.449	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Nc1cc(C)ns1	756857716	QHBSYRJKAGALMD-UHFFFAOYSA-N	320.374	1.856	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)c2cc(C)cs2)C[C@@H](C)O1	858705394	FEIMWEIVXVKGGB-MNOVXSKESA-N	311.407	1.910	50	20	DDGD	
C[C@@]1(CNC(=O)NCCCCC(=O)O)C[C@H]1Br	857100500	FPQCUEXUGDAHSZ-KCJUWKMLSA-N	307.188	1.714	50	20	DDGD	
C[C@]1(CN2C(=O)[C@@H]3C[C@H](F)CN3C2=O)C[C@H]1Br	857227568	QBEMCQFFBTUHGK-LITAXDCLSA-N	305.147	1.535	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)[C@@H]2CCCCO2)cc1F	853352775	HBEJKWOVROUSOC-ZDUSSCGKSA-N	308.309	1.632	50	20	DDGD	
C#Cc1cccc(NC(=O)C(=O)NNC(=O)c2ccccc2C)c1	763957870	NBRFIZFZSLLFGS-UHFFFAOYSA-N	321.336	1.376	50	20	DDGD	
CCNC(=O)CCCC(=O)NNCC(F)(F)C(F)(F)F	863095337	DFCLPXDRTSRDCW-UHFFFAOYSA-N	305.247	1.111	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N[C@@H]1CCOC2(CCC2)C1	768527286	WITAUTXSAWPCGR-CYBMUJFWSA-N	318.377	1.056	50	20	DDGD	
Cc1ccc(C)c2c1CCCC2=NNC(=O)CS(C)(=O)=O	863186878	PAVBZPXCXULKRX-UHFFFAOYSA-N	308.403	1.505	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccnc1)c1cccc(C)c1C	763195307	NGFBIERAFLLAHT-UHFFFAOYSA-N	324.384	1.969	50	20	DDGD	
CCCO[C@@H](C(=O)NNC(=O)NCC)c1ccc(F)cc1C	930731470	BAOGCNMFIINZHM-CYBMUJFWSA-N	311.357	1.952	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1cccc2c1OCC2	861804897	PEXORTKRIUYWBA-UHFFFAOYSA-N	319.361	1.144	50	20	DDGD	
CN1CC[C@H](N(C)C(=O)[C@@H](Br)C(C)(C)C)C1=O	768177426	SKYCFYUJGXXXSA-DTWKUNHWSA-N	305.216	1.485	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@H]32)n1	860728621	URYYZYWFVHEWLR-ZWKOPEQDSA-N	315.764	1.741	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccc2nc(C)sc2c1	869905675	DPAPZDCPIVRHGB-UHFFFAOYSA-N	323.374	1.029	50	20	DDGD	
CCSCC(=NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1	863149976	KFHOPCGGRDLBFG-GFCCVEGCSA-N	305.403	1.539	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2c(C)oc3ccccc23)n[nH]1	767247768	KARVNBZAHDDQQQ-UHFFFAOYSA-N	312.329	1.776	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccc(F)cn2)[C@@H]2CCCC[C@@H]2N1	874647509	WOHCRJVXWCMIIR-SRVKXCTJSA-N	306.341	1.359	50	20	DDGD	
CC(C)(SCC(=O)O)C(=O)NC[C@]1(C)C[C@@H]1Br	872883424	PDOKRNVTIZXBOU-CPCISQLKSA-N	324.240	1.873	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H](CCC)OC)c1	874952563	YDODXSOJOIVIJE-ZDUSSCGKSA-N	305.403	1.801	50	20	DDGD	
CSc1ccccc1NC(=O)C(=O)NNc1cccnn1	1116712337	ZCPOGPPVLHIYPI-UHFFFAOYSA-N	303.347	1.280	50	20	DDGD	
COCCn1cc(C(=O)NNc2nccnc2C(C)C)c(C)n1	772841132	NKHCZVGHSACYGY-UHFFFAOYSA-N	318.381	1.508	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2cc(Cl)ccc2F)CCC1	871271595	ROGYTLTYOVEKQT-UHFFFAOYSA-N	320.773	1.890	50	20	DDGD	
CCc1noc(C)c1C(=O)NNC(=O)c1ccc(C)cc1O	776123695	PVOWRHOBHJWNLK-UHFFFAOYSA-N	303.318	1.634	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(CN2CCCC2=O)cc1	878291082	SBGPHKJOFQVIJU-UHFFFAOYSA-N	320.393	1.424	50	20	DDGD	
COCCn1ccc(C(=O)NNc2nccnc2C(C)C)n1	772868809	KSSAOSKWBQLCMP-UHFFFAOYSA-N	304.354	1.200	50	20	DDGD	
CNC(=O)COc1ccc(NC(=O)NNc2ccccn2)cc1	779053123	ZLGYTUHYRZLFJV-UHFFFAOYSA-N	315.333	1.355	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)[C@H](C)c1ccc(OC)cc1	779823380	OJKYQKCCBCCKTC-JTQLQIEISA-N	307.350	1.647	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CCC(=O)N1)c1cccc(OC)c1OC	872392468	MCQZCLUCVFCPFN-LBPRGKRZSA-N	319.361	1.213	50	20	DDGD	
O=C(NN=Cc1ccc(O[C@H]2CCOC2)cc1)c1cccnn1	1119301484	AGBYCFNRXURPGO-AWEZNQCLSA-N	312.329	1.408	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1ncccc1C(F)(F)F	771390156	ZUZGEURUWJCHDZ-UHFFFAOYSA-N	323.238	1.524	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)COC1CCCC1	772020250	AAVYYQHTEPXTMS-LLVKDONJSA-N	314.382	1.071	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)n1	778245719	JLZPPGHFERQZAS-UHFFFAOYSA-N	321.768	1.798	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1c(O)cccc1Cl	772053035	QRLAPIOHJRAXRQ-ZETCQYMHSA-N	314.725	1.148	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCc1nc(C(F)(F)F)n[nH]1	776255587	WJGZVSCRTJXZKE-UHFFFAOYSA-N	324.263	1.062	50	20	DDGD	
CCCCS(=O)(=O)NCC(=O)NNc1c(C)cccc1F	771712965	AUKAHQNYUKQNTD-UHFFFAOYSA-N	317.386	1.297	50	20	DDGD	
CC(C)[C@H](NC(=O)NNC(=O)c1cccnn1)c1ccccc1	883080861	NGLDIULVFDPDRF-AWEZNQCLSA-N	313.361	1.818	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1COc2ccc(OC)cc2C1	887140884	WVKYATURXYPJJK-ZDUSSCGKSA-N	316.357	1.197	50	20	DDGD	
NC(=O)c1coc(CNC(=O)NNc2cccc([N+](=O)[O-])c2)c1	779671180	WFCBGXQBYOLWBS-UHFFFAOYSA-N	319.277	1.113	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1cccc2c1OCCCO2	770007546	WDBNCOFRWCTRJM-UHFFFAOYSA-N	321.377	1.724	50	20	DDGD	
COCC(C)(C)CCCNC(=O)NNC(=O)C1CCOCC1	883647261	PMCYCTKYPMKJCV-UHFFFAOYSA-N	315.414	1.196	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)C2CCOCC2)CC1(Cl)Cl	883675416	INUYQASULXQBTF-NSHDSACASA-N	324.208	1.327	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1nsc2ccccc12	887150593	PKJOETZGDOCUMP-UHFFFAOYSA-N	301.371	1.790	50	20	DDGD	
CCOC(CCNC(=O)NNc1ncncc1Cl)OCC	787309320	BYPHQFDYSZAHEZ-UHFFFAOYSA-N	317.777	1.545	50	20	DDGD	
NC(=O)c1cc2c(nc1O)CCCC2=NNC(=O)c1ccccc1	788928911	NYPUSBQAFJLLED-UHFFFAOYSA-N	324.340	1.357	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(Cl)nn1)C1=CCN(C)CC1	781395824	VYWNJJSOQDXXEZ-SECBINFHSA-N	310.789	1.407	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CN3CCN2C[C@H]3C)ccc1Cl	1124033517	RWOMWHSYJHOYLZ-BXUZGUMPSA-N	308.813	1.480	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccn(-c2ccc(Cl)cc2)n1	780708201	GSIMSTGOZIOQNZ-UHFFFAOYSA-N	321.768	1.832	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@@H](CNC(C)=O)CC(C)C	887149089	IWGJNPURIKZLNB-AWEZNQCLSA-N	309.410	1.126	50	20	DDGD	
O=C(CCc1ccsc1)NNc1ccc(-n2ccnc2)nn1	788176731	AQFOHXFFSIKLCU-UHFFFAOYSA-N	314.374	1.800	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)C1CCOCC1)c1ccccc1	883062209	TWIUFYQFPJMWLD-CQSZACIVSA-N	306.362	1.338	50	20	DDGD	
CC(=NNC(=O)Cc1cn2ccccc2n1)[C@]1(C)CCCO1	782242714	LTTXUSWCQDUFMZ-INIZCTEOSA-N	300.362	1.938	50	20	DDGD	
O=C(NNC(=O)c1cccc(O)n1)c1cc(-c2ccccc2)[nH]n1	788265168	KKIOJYHTKHPSFR-UHFFFAOYSA-N	323.312	1.252	50	20	DDGD	
CC[C@H](C)C(=O)NN=C1CCCc2nc(O)c(C(N)=O)cc21	788995876	XUAIGOWVVIABOZ-QMMMGPOBSA-N	304.350	1.089	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1ccc(F)cc1[N+](=O)[O-]	783808318	RMKRDUSJHFWVPX-UHFFFAOYSA-N	322.296	1.197	50	20	DDGD	
CC(C)Cn1ccc(C(=O)NNC(=O)Cc2ccc(F)cc2)n1	895508779	KRRXDWLWQXEJEN-UHFFFAOYSA-N	318.352	1.682	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)[C@@H]1CO[C@H](C)C1	784154166	GTBAFMVEDIGYGA-MNOVXSKESA-N	324.402	1.360	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCOC2(CCC2)C1)c1cccc(F)n1	893050091	IHXPWMXOAUVLJU-JTQLQIEISA-N	307.325	1.331	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)C(=O)Nc1ccc(F)nc1	784861119	OXOGRWRMVDQGKR-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)C(F)(F)C(F)F	788556019	CQNHANHRWJFVIU-UHFFFAOYSA-N	321.259	1.944	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@H]1CS(=O)(=O)C[C@H]1C	890496377	QOPNISUPILEJBJ-SKDRFNHKSA-N	315.370	1.193	50	20	DDGD	
CC[C@H](O)[C@H](C)C(=O)NNC(=O)COc1cc(C)cc(C)c1	899939806	XAFFKWDQRZMYNZ-JSGCOSHPSA-N	308.378	1.237	50	20	DDGD	
O=C(NN=C1CCCc2cccnc21)C(=O)Nc1ccccn1	799110879	HXMBLLPOSAOTMN-UHFFFAOYSA-N	309.329	1.272	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCCC(=O)c1ccccc1	899939520	RRWHMHDCUKUTJL-UHFFFAOYSA-N	305.403	1.721	50	20	DDGD	
C[S@@](=O)C1(CNC(=O)NNc2cccc(C#N)c2)CCC1	798121141	QHQAWWMOWKHQSC-OAQYLSRUSA-N	306.391	1.486	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cn2c(n1)CCCC2	799704581	BJOWTFVDPICUBJ-UHFFFAOYSA-N	301.306	1.885	50	20	DDGD	
CCN(C(=O)NCCSSC)[C@H](C)CS(C)(=O)=O	790878121	HTBHLFGIJIESCJ-SECBINFHSA-N	314.498	1.462	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CN(C)C(=O)C1CC1	798309745	CYODWWDPODPMOJ-UHFFFAOYSA-N	304.350	1.016	50	20	DDGD	
Cc1cccc(C(=O)NNC(=S)NC[C@@H]2CCCCO2)n1	795013114	QSNLRUOCGBBWII-NSHDSACASA-N	308.407	1.068	50	20	DDGD	
CC(C)NC(=O)NN=C1CCCc2c1cnn2-c1ncccn1	792995760	NEUWYRNSUQFJSM-UHFFFAOYSA-N	313.365	1.410	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)c1nccnc1C(N)=O	794949719	RQFIRFBOQNIBLQ-UHFFFAOYSA-N	313.361	1.764	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)COC1CCOCC1	798312664	HWNMPCATSDPENA-UHFFFAOYSA-N	307.350	1.343	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNS(=O)(=O)c1ccoc1	795314188	KGVMDYYMOGWCCB-UHFFFAOYSA-N	319.342	1.244	50	20	DDGD	
CCOc1ccccc1NC(=O)C(=O)NNc1ncccc1C	792376071	OUGVPUCNNWTNIC-UHFFFAOYSA-N	314.345	1.871	50	20	DDGD	
CS(=O)(=O)N1CC(CNC(=O)c2cccc(CCl)c2)C1	1353644116	GZKOMFGFOMWAJY-UHFFFAOYSA-N	316.810	1.047	50	20	DDGD	
O=C(NNC(=O)C(F)(F)c1ccc(Cl)cc1)NC1CC1	1317992875	XRXJZTJMUNGESJ-UHFFFAOYSA-N	303.696	1.925	50	20	DDGD	
Nc1cnnc(NNC(=O)CCOc2ccccc2)c1Cl	1319778864	LGNOBBQYDXQVJJ-UHFFFAOYSA-N	307.741	1.624	50	20	DDGD	
Cc1ncnc(O)c1CCC(=O)OC[C@H](C)CBr	1324064129	JFXXGWBRYJHJHU-MRVPVSSYSA-N	317.183	1.997	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1	1324471064	FVXYVXYFLNHQNQ-IJLUTSLNSA-N	311.426	1.511	50	20	DDGD	
O=C(C[C@H]1CCS(=O)(=O)C1)NNc1cccc(Cl)n1	1327884833	AIJRWQBXZDDVRW-MRVPVSSYSA-N	303.771	1.003	50	20	DDGD	
COCC(=NNC(=O)c1ccc(C)c(O)c1)C1CCOCC1	1330892206	LCMHSFFYTRJDBM-UHFFFAOYSA-N	306.362	1.859	50	20	DDGD	
O=C(NC[C@H]1CCc2ccccc21)NNC(=O)C1CCOCC1	1331933782	RBYLTJSFDREYBX-CQSZACIVSA-N	317.389	1.473	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)[C@H]1CN2CCN1C[C@@H]2C	1263818058	LKNSYFIXQKSWLR-DZGCQCFKSA-N	302.422	1.389	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)C1CCCC1)C1=CCOCC1	1341601930	ZCXOLJHWCIBQNT-UHFFFAOYSA-N	309.410	1.880	50	20	DDGD	
CN1CCCC[C@@H]1CNC(=O)NNc1ccc(C(C)(C)C)nn1	1342109630	CBYBJYVAUDXRAW-GFCCVEGCSA-N	320.441	1.885	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N2CCC=C(F)C2)C[C@H]1Br	1261769590	BPRCUUWAFJYNRL-BXKDBHETSA-N	319.174	1.362	50	20	DDGD	
O=C(O)C(=O)NN=C1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]12	1601637713	IYDULCBDVSXNQF-UONOGXRCSA-N	315.373	1.475	50	20	DDGD	
Cc1c(NNC(=O)NCCc2cn(C)cn2)cccc1C(=O)O	1600053329	AAQLDVHNQGVQQS-UHFFFAOYSA-N	317.349	1.296	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=c2cc[nH]c3cccnc23)c1	1602433284	NRVJCSJWXGMKQW-UHFFFAOYSA-N	308.297	1.507	50	20	DDGD	
Cc1c(C(=O)NNC(=O)OC(C)(C)C)cccc1-c1nn[nH]n1	1609380719	MVMRIKZRKNSHIC-UHFFFAOYSA-N	318.337	1.345	50	20	DDGD	
Cc1cc(C(=O)NNc2nc3ccccn3n2)oc1C(=O)O	1607580162	SJKBYZLQEFRYQW-UHFFFAOYSA-N	301.262	1.086	50	20	DDGD	
Cn1ccc(NC(=O)NNc2ccc(CC(=O)O)cc2)cc1=O	1600975996	SQPLAYZJOCRAPY-UHFFFAOYSA-N	316.317	1.161	50	20	DDGD	
COc1ccc(C(=O)NNc2ncccc2C(=O)O)cc1OC	1604763893	LLQKQLZGKOAWDJ-UHFFFAOYSA-N	317.301	1.554	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNc2cccc(C(=O)O)c2F)c1	1603098547	KIROAYTVRMJQEM-UHFFFAOYSA-N	305.265	1.812	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@H]1CC[C@@H](C(=O)O)C1	1605815352	FZTGNJKMKLTWRE-NTSWFWBYSA-N	304.215	1.306	50	20	DDGD	
CC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)O)C2	1800074110	KSOVKAQENWUIAL-SVNGYHJRSA-N	302.802	1.023	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(OCCC(=O)O)cc1	1610010865	UCXUEZPTIFFVPV-KHPPLWFESA-N	304.302	1.923	50	20	DDGD	
CO[C@@H]1CN[C@](C)(C(=O)NNc2cccc3cnccc23)C1	1578949512	WEJLLFYLRCWBSU-LRDDRELGSA-N	300.362	1.445	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cn1)n1cccc1	1574508099	MKZPWOWTYCQFGM-JTQLQIEISA-N	312.337	1.158	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@@H]3CCN[C@@H]3C)cc2C1	1576759544	XQFAXKCMUCIIQC-CKYFFXLPSA-N	321.446	1.632	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@]2(C)CCCN2)c1C	1579768440	YDZINPVNEMYWKF-OAHLLOKOSA-N	306.435	1.763	50	20	DDGD	
CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1cc(C)n(C)n1	1588775817	IQPNBXCAUSXYPZ-UHFFFAOYSA-N	324.348	1.063	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2ccc[nH]2)C1	1844407876	FYMQEZFIAZTPMT-NSHDSACASA-N	309.797	1.849	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1ccc2ccccc2c1)C(=O)O	1589056951	UOUWJLOOTZFQBJ-JTQLQIEISA-N	315.329	1.505	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)/C=C/c1cc(C(=O)O)co1	1589832071	NPXUAJRGDNWJPF-SNAWJCMRSA-N	311.363	1.285	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1nc2ccc(C(=O)O)cc2[nH]1	1596863190	KYILJILGIXMENU-NTMALXAHSA-N	314.301	1.321	50	20	DDGD	
Cc1ncoc1C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1842502639	CYLMGOKZBLFDQI-JTQLQIEISA-N	315.732	1.334	50	20	DDGD	
C[C@]1(C(=O)N2CCSC[C@@H](C(=O)O)C2)C[C@H]1Br	1593748465	TZZRIQWSIWNISC-RNSXUZJQSA-N	322.224	1.436	50	20	DDGD	
CN(NC(=O)c1cccc(OCC(=O)O)c1)c1ccccn1	1593766518	RGYHBFNGOYOOSD-UHFFFAOYSA-N	301.302	1.326	50	20	DDGD	
C[C@H]1CN(C(=O)[C@]2(C)C[C@@H]2Br)C[C@]1(C)C(=O)O	1599915069	ORLIKDLTSJHYPD-MMSPYSMKSA-N	304.184	1.729	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCC(=O)NC2CC2)cc1	5177971	MBAZTJLTDDQRPC-UKTHLTGXSA-N	314.341	1.814	50	20	DDGD	
Cn1cc(C(=O)O)cc1C=NNC(=O)COCc1ccccc1	1776044557	XLYOPABEQKPLQE-UHFFFAOYSA-N	315.329	1.390	50	20	DDGD	
C[C@H](Oc1cccc(C=NNC(=O)c2cccnn2)c1)C(=O)O	1776103504	MMIIHYNGKBMRCV-JTQLQIEISA-N	314.301	1.092	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)CC1CCCC1	17065673	YRXGYPOACFWXNN-UHFFFAOYSA-N	321.333	1.701	50	20	DDGD	
COc1ccc(NNC(=O)CNC(=O)CCC2CCCC2)nc1	159604266	OLXKLXXAKAYWBC-UHFFFAOYSA-N	320.393	1.620	50	20	DDGD	
O=S(=O)(CBr)N1CCC[C@H](CCO)CC1	817152114	OIBGCROSNAJDRG-VIFPVBQESA-N	300.218	1.153	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1ccccc1F	6208446	NUEOZJQDFYGBII-UHFFFAOYSA-N	306.268	1.805	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)NCCC#N)cc1	7896474	LHLGFFVIUAAEAB-UKTHLTGXSA-N	313.313	1.175	50	20	DDGD	
Cc1ccc(NNC(=O)CN2C(=O)c3ccccc3C2=O)cc1	59487797	GWGMVLVJANYBTJ-UHFFFAOYSA-N	309.325	1.734	50	20	DDGD	
CN(CCNC(=O)NNC(=O)OC(C)(C)C)C1CCCC1	105293709	TVPVOWVUGUFVIY-UHFFFAOYSA-N	300.403	1.600	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CSc2ccncc2)c1	103402996	PMTYGARMGBQVII-UHFFFAOYSA-N	312.354	1.507	50	20	DDGD	
CCC1(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)CCCC1	119923544	RDLUFQXSTKFOMJ-ZDUSSCGKSA-N	317.455	1.338	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccc2[nH]nnc2c1)c1ccccc1	110964528	XLDIWMPJCDIPLO-CYBMUJFWSA-N	323.356	1.913	50	20	DDGD	
O=C(NCc1ccccn1)NNC(=O)Nc1cc(F)cc(F)c1	63399156	ZAUDYRBISNZZMW-UHFFFAOYSA-N	321.287	1.896	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCn2ccnc2C1)c1cc2ccccc2o1	119293769	KMJLBJKHLVKDCG-LBPRGKRZSA-N	324.340	1.653	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCN1CCCC1=O)c1ccccc1	110342435	XOLPNIDPZABDSG-AWEZNQCLSA-N	317.389	1.340	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@H]2C[C@H]2C2CC2)c1	175874827	VQOOHCQJJKACLJ-KBPBESRZSA-N	303.362	1.301	50	20	DDGD	
CCc1ccc([C@@H](C)C(=O)NNC(=O)c2c[nH]nc2C)cc1	110761280	ONHFFJYMKQFQJW-SNVBAGLBSA-N	300.362	1.845	50	20	DDGD	
C[C@@H](OC[C@H]1CCCO1)C(=O)NNc1ccc(F)cc1F	113433197	JPQCYMODXKHVDX-MWLCHTKSSA-N	300.305	1.992	50	20	DDGD	
Cc1cc(C(=O)NNc2nc(C)cc(C)n2)c(N)c([N+](=O)[O-])c1	68511628	ZEBQZIJHSWXLSA-UHFFFAOYSA-N	316.321	1.649	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)CN(C)C(C)C)cc1OC	60161812	WZAJTAZHDABUTI-UHFFFAOYSA-N	323.393	1.195	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCc2cccc(C#N)c2)cc1	60995178	FZDXNOLNIHTVKN-UHFFFAOYSA-N	319.324	1.574	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)Cc1ccc2ccccc2c1	61544717	TWJMFRDWXXNROM-UHFFFAOYSA-N	313.357	1.054	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)[C@H]2CCCN2S(C)(=O)=O)c1	171982520	FYIPJJHAHDEXGM-CYBMUJFWSA-N	311.407	1.171	50	20	DDGD	
C[C@H](Oc1ccccc1)C(=O)NNC(=O)NCC(F)(F)F	60414735	BMCWTSJUUADLMW-QMMMGPOBSA-N	305.256	1.347	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H](C)Cn2ccnc2C)nn1	171603452	UZQUQHJDKDVDNZ-JTQLQIEISA-N	303.370	1.252	50	20	DDGD	
CC1(C)[C@H]2CN(CC(=O)NNC(=O)c3ccccc3Cl)C[C@H]21	172949966	CITVXFSCHKRUAP-TXEJJXNPSA-N	321.808	1.689	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NCC2CC2)cc1F	65192786	IPMDRTPZJRQSFL-UHFFFAOYSA-N	309.341	1.507	50	20	DDGD	
CCOc1cc(C)ccc1CNC(=O)NNC(=O)c1ccc[nH]1	129061495	HJFHTKCGWJSTFY-UHFFFAOYSA-N	316.361	1.866	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)CN1CCCCC1=O	181311887	APFAGZCLHPJKCH-UHFFFAOYSA-N	312.373	1.999	50	20	DDGD	
C[C@H](OCc1ccccc1)C(=O)NNC(=O)c1cccn1C	185874254	UNMXZZFBTRCHOF-LBPRGKRZSA-N	301.346	1.391	50	20	DDGD	
C[C@H](NC(=O)CC(C)(C)C)C(=O)NNc1ccccc1[N+](=O)[O-]	187307163	IVMVNGKWKKQWGX-JTQLQIEISA-N	322.365	1.979	50	20	DDGD	
Cc1nc(CC(=O)NNC(=O)Cc2ccccc2F)c(C)s1	120157443	POVQKSZREYCDPZ-UHFFFAOYSA-N	321.377	1.832	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccnc(F)c1	125852491	LVIKNSAVEUVCLE-UHFFFAOYSA-N	313.292	1.252	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@@H](C)CN1CCN(C)CC1	185363199	MWDAEBWFRKXTGF-ZDUSSCGKSA-N	323.416	1.396	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(-c2ccccc2OC)on1	139183123	ZOYXTUMFRXVGNZ-UHFFFAOYSA-N	304.306	1.314	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCCCN(C)C(=O)OC(C)(C)C	46981144	OQYPLPZWGVINAB-UHFFFAOYSA-N	316.402	1.230	50	20	DDGD	
COc1ccc(CNC(=O)NNc2cccc([N+](=O)[O-])c2)cn1	45374045	DXXDPSZEDIYFOJ-UHFFFAOYSA-N	317.305	1.825	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NNc1nc2ccccn2n1	191922147	FKYUGSOQQHDQBM-UHFFFAOYSA-N	312.289	1.703	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)CCC(C)=O)o1	192913300	ZSYPPTQMCKMVQA-UHFFFAOYSA-N	309.366	1.252	50	20	DDGD	
O=C(COC[C@H]1CCCO1)NNc1ccc(C(F)(F)F)cn1	132373745	TURIBCLPUGEBAF-SNVBAGLBSA-N	319.283	1.739	50	20	DDGD	
CCCCCC[C@@H](C)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1	43000526	KFPKDWIUEBBRJK-TZMCWYRMSA-N	319.471	1.726	50	20	DDGD	
CCCOc1ccc(OCC(=O)NNc2ncccn2)cc1	46577153	WDRMPXXDLJIMRY-UHFFFAOYSA-N	302.334	1.788	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cn[nH]c2)c1C	192739099	ZZEZHGARRODJHE-NSHDSACASA-N	302.334	1.255	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(NC(=O)OCC)cc1	138589536	CBCHYDDZVJAKJQ-UHFFFAOYSA-N	322.365	1.999	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ccc3[nH]ccc3c2)n1	133911816	IMBWZPZXXOFFER-UHFFFAOYSA-N	302.725	1.950	50	20	DDGD	
O=C(COc1ccc(Cl)c(Cl)c1)NNC(=O)C1CC1	45882033	CNVJYLPFRLCHQH-UHFFFAOYSA-N	303.145	1.930	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(N)=C(C#N)C#N)c(-c2cccnc2)n1	141366381	PEAJWUIIUHFMEO-LFYBBSHMSA-N	301.313	1.649	50	20	DDGD	
CC[C@H](CSC)NC(=O)NNC(=O)c1ccc(C#N)cc1	91630350	XHOWRTOHHHSYBO-GFCCVEGCSA-N	306.391	1.644	50	20	DDGD	
C[C@@H]1CN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1	249284510	LJMFFEUZZWJMRO-VTGBWBPSSA-N	303.318	1.541	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@H]1CCN(c2ncccc2F)C1	255458769	DCVGAYXMHIPNMO-MMRAYRKESA-N	304.325	1.360	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2CCC2)c(OC)c1OC	264817593	WSLPHDHAWNALIK-UHFFFAOYSA-N	308.334	1.274	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN([C@@H](C)C(F)(F)F)CC1	269488896	RQHQXIYDTCQCAB-SPQRFVMMSA-N	305.300	1.525	50	20	DDGD	
COc1ccc(-c2ncc(C(=O)NNC(=O)C3CC3)s2)cc1	266204085	BYYZEKSOGDQRSK-UHFFFAOYSA-N	317.370	1.990	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1C[C@@H](C)OC(C)(C)C1	264095983	HPYBYZCMCXNAGP-GFCCVEGCSA-N	305.378	1.849	50	20	DDGD	
O=C(NNc1cnccn1)Nc1ccccc1O[C@@H]1CCOC1	271334178	FTVOWFYNYDEUNZ-LLVKDONJSA-N	315.333	1.793	50	20	DDGD	
COc1ccc2c(c1)[C@H](C(=O)NNC(=O)c1cc(C)n[nH]1)CC2	278103679	LOJVRVAFDVIRTC-GFCCVEGCSA-N	314.345	1.218	50	20	DDGD	
CC1(C(=O)NNC(=O)CSc2ccc(Cl)cc2)COC1	272839261	ODAHVJOESKOUCI-UHFFFAOYSA-N	314.794	1.616	50	20	DDGD	
CCOc1ccccc1NC(=O)C(=O)NNC(=O)CC(C)(C)C	274104267	XQMDPXPLMWBUDH-UHFFFAOYSA-N	321.377	1.607	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)CC(C)(C)OC	278828228	QKRGWLCLVCZPRV-UHFFFAOYSA-N	310.350	1.037	50	20	DDGD	
COC1(C(=O)NNC(=O)COc2cc(C)ccc2C)CCC1	272935885	NIKKSEDUCOXCMC-UHFFFAOYSA-N	306.362	1.399	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc2nnc(C(C)(C)C)n2c1	274485935	RXBOCDZUNLENDV-UHFFFAOYSA-N	317.393	1.834	50	20	DDGD	
C#CCCCCC(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C	273288463	SCOBIZFOGYOACP-LLVKDONJSA-N	311.382	1.241	50	20	DDGD	
CCS[C@@H](C(=O)NNc1ccc(-n2ccnc2)nn1)C(C)C	286590140	KMGJLWIZXOGEKS-CYBMUJFWSA-N	320.422	1.883	50	20	DDGD	
CCCN1CCC[C@H]1CNC(=O)NNC(=O)c1ccc(C)o1	807548923	HRMRZCLXTSXBIC-LBPRGKRZSA-N	308.382	1.406	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNC(=O)c1c[nH]c2ccccc12	806342708	QBPFKZGTQXSWFN-UHFFFAOYSA-N	310.313	1.150	50	20	DDGD	
CO[C@@H](C)c1nsc(NC(=O)NNC(=O)C(C)(C)C)n1	809929034	OYUPAIRGTCYHRW-LURJTMIESA-N	301.372	1.444	50	20	DDGD	
C[C@@H](Cc1ccc(O)cc1)NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	296957251	AUVUAVXJHDZTDX-MJVIPROJSA-N	321.377	1.221	50	20	DDGD	
CCc1nnc(CNC(=O)NNC(=O)c2ccc(C)o2)s1	290971162	ONPBOGLZAQJJTQ-UHFFFAOYSA-N	309.351	1.146	50	20	DDGD	
COC(=O)[C@@H](CNC(=O)/C(C#N)=C\c1ccc(F)cc1)OC	294069917	QGQATMXBDJOGPX-LWMSPQMPSA-N	306.293	1.037	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)Cc2c(C)n[nH]c2C)cc1	802052675	QJIKFXJIVMBDBL-UHFFFAOYSA-N	317.349	1.431	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2CCn3c(cnc3C)C2)n1	290287100	GVDDRLACBFJSQP-LLVKDONJSA-N	316.365	1.004	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H]1CSC[C@H]1C	805097730	VYGJBZTUVWDRTC-MWLCHTKSSA-N	309.391	1.391	50	20	DDGD	
CCSc1cc(CNC(=O)NNC(=O)[C@@H]2CCCO2)ccn1	292562339	IGDTUMUKDYRIML-NSHDSACASA-N	324.406	1.203	50	20	DDGD	
COc1ccc(F)cc1NC(=O)C(=O)NNc1ncccc1F	807301935	UHQQBNIMVKTHLO-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NN(C)CCOC	808073664	OEHNQXXHABRLSF-OAHLLOKOSA-N	321.421	1.123	50	20	DDGD	
CCc1cc(Br)ccc1NNC(=O)c1ncn(C)n1	290860355	ZUGGGXPJXQGNHZ-UHFFFAOYSA-N	324.182	1.897	50	20	DDGD	
CSc1ccccc1CC(=O)NNC(=O)N=c1cc[nH]cc1	802023528	VILRAAJXSRNPGM-UHFFFAOYSA-N	316.386	1.621	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C1CCN(CC(F)F)CC1	806785354	JRPOCXFBNCDIQL-UHFFFAOYSA-N	305.369	1.547	50	20	DDGD	
N#Cc1cc(Br)ccc1C(=O)NNC(=O)CC1CC1	295654008	PXQKMANYERIWIC-UHFFFAOYSA-N	322.162	1.882	50	20	DDGD	
CCOCCNC(=O)NNC(=O)Nc1cccc(Cl)c1	296414585	RWNYCJOJQWLZQG-UHFFFAOYSA-N	300.746	1.712	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)C2(C#N)CCCCC2)c1	299136566	QEMTTWRYLWOEMY-UHFFFAOYSA-N	314.389	1.988	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@H]1CCN2CCCC[C@H]12	298726249	KHWXKYKFIZBEIQ-VHSXEESVSA-N	310.789	1.383	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	804121905	QICUHLFBJBIAMK-SNVBAGLBSA-N	317.386	1.655	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1ccc(C[S@@](C)=O)cc1	805868733	IXJBRQZDNODOLA-OAQYLSRUSA-N	311.407	1.052	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN(C)CC(C)(C)C#N	814670460	UASLGTSGHSBONO-UHFFFAOYSA-N	316.405	1.167	50	20	DDGD	
O=C(CSc1ccccc1O)NN=Cc1c[nH]c(C(=O)O)c1	814970238	JHBWUIJLCORUEZ-UHFFFAOYSA-N	319.342	1.661	50	20	DDGD	
CC(=NNC(=O)c1c[nH]nc1C)c1cccc(-n2cnnc2)c1	814852270	QQDAYPDHFKTPTA-UHFFFAOYSA-N	309.333	1.453	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CCc3cccnc32)nc1	819915409	DXOYHCDOOFREST-GFCCVEGCSA-N	312.329	1.436	50	20	DDGD	
CC(C)CC(=O)NN=Cc1ccc(Cl)c(S(N)(=O)=O)c1	814752347	INGXMWXBDZYRMB-UHFFFAOYSA-N	317.798	1.484	50	20	DDGD	
Cc1cccc(N2CCN(CCC(=O)NN(C)C3CC3)CC2)c1	819647343	NCLAGPRIKZMAJX-UHFFFAOYSA-N	316.449	1.633	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)[C@@H](C)CN1CCCCC1	811634808	BZXAMSACMDXVJU-JSGCOSHPSA-N	308.426	1.269	50	20	DDGD	
Cn1nncc1NNC(=O)C(C)(C)COCc1ccccc1	816769876	ABMPUCAFHUVDAS-UHFFFAOYSA-N	303.366	1.501	50	20	DDGD	
CCOCC(=O)NN=C(C)c1ccc(N2C(=O)CCC2=O)cc1	814221407	BODDATALFXCYPP-UHFFFAOYSA-N	317.345	1.217	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	819743593	RVQXBJIKOZMUTG-NKWVEPMBSA-N	304.133	1.641	50	20	DDGD	
CC(C)N(C)C[C@@H](C)NC(=O)NNc1ncncc1Cl	811953610	HFWXLRYCYIWHDM-SECBINFHSA-N	300.794	1.485	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccnc(N2CCC[C@@H](C)C2)c1	823922626	LJMVPSGQDQTCDP-OLZOCXBDSA-N	306.410	1.275	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(C)C1C[C@@H]2CC[C@H](C1)N2CCOC	491086870	VOLMVZDRWHPICI-DFMJVRNZSA-N	321.421	1.531	50	20	DDGD	
O=C(O)CCCCNC(=O)NNC(=O)c1ccc(Cl)cc1	821518769	HIEQPENQBDIMGF-UHFFFAOYSA-N	313.741	1.539	50	20	DDGD	
CCCN(NC(=O)CCCC(=O)NC)C(=O)OC(C)(C)C	495630581	FPMGSXFZEITBQM-UHFFFAOYSA-N	301.387	1.581	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C2(C)CCOCC2)c1	726765340	IUZYPQYDSVDNRL-UHFFFAOYSA-N	306.362	1.338	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@@H]1CCCOC1	727722105	CPKKOQJDLARTST-LLVKDONJSA-N	301.346	1.284	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCO1	824868645	WPXZPSBNZKOYOR-ONGXEEELSA-N	302.338	1.125	50	20	DDGD	
Cc1ccccc1NNC(=O)c1cc(-c2nn[nH]n2)cs1	822361965	LRODSQMLEQBKKS-UHFFFAOYSA-N	300.347	1.994	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CSCc1cccc(Cl)c1	823988131	PNTXMNWYITZFDI-JTQLQIEISA-N	302.827	1.917	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CSc2nccn2C)c1	727415034	OUSFVQKDMRGTCS-UHFFFAOYSA-N	304.375	1.282	50	20	DDGD	
CN(C)c1ccc(C=NNC(=O)Cc2cccnc2)cc1F	728786772	XMSFRWWRGYFFPK-UHFFFAOYSA-N	300.337	1.980	50	20	DDGD	
CCN(CCO)NC(=O)Cc1ccccc1OC1CCCC1	823889151	KDEKRBJRRURIGC-UHFFFAOYSA-N	306.406	1.896	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1ccc(OC(F)(F)F)cc1	727648167	WLSCNPUTRAUOML-UHFFFAOYSA-N	303.284	1.987	50	20	DDGD	
O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)c1cccc(B(O)O)c1	584980524	BTNAQLHUOZJFRT-CRAIPNDOSA-N	323.201	1.823	50	20	DDGD	
CC(C)Cn1ncc(NCc2cccc(B(O)O)c2)c1C1CC1	585041412	OLQMVBOMQLQFBZ-UHFFFAOYSA-N	313.210	1.708	50	20	DDGD	
O=S(=O)(CBr)N1CCC[C@@H]1[C@H]1CCCOC1	827788982	YJZMLZQPNBXCMI-VHSXEESVSA-N	312.229	1.560	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)C[C@@H]1CC[C@@H]2C[C@H]12	822195987	QDOVADMBLIOECL-WOPDTQHZSA-N	306.337	1.788	50	20	DDGD	
OB(O)c1ccc(CNCCCOCc2ccccc2)c(F)c1	585015008	LSQJUQMAYHSTQM-UHFFFAOYSA-N	317.169	1.202	50	20	DDGD	
O=S(=O)(CCl)N1CCN(Cc2ccc(Cl)cc2)CC1	829728700	SDMAFXKXDCUYBE-UHFFFAOYSA-N	323.245	1.984	50	20	DDGD	
O=C(/C=C\c1cccc(O)c1)NNC(=O)NCc1ccco1	492747213	BZHAQJSNIYDJRM-SREVYHEPSA-N	301.302	1.529	50	20	DDGD	
CC(C)CC[C@@H]1CCCCN1C(=O)c1ccc(B(O)O)c(F)c1	584962314	LORVKMDZUXWCFE-AWEZNQCLSA-N	321.201	1.936	50	20	DDGD	
CC(C)(C)c1nnc(NC(=O)NNC(=O)c2cc[nH]n2)s1	820212613	MTKAQFUYMHGHDP-UHFFFAOYSA-N	309.355	1.025	50	20	DDGD	
Cn1ccc(C=NNC(=O)NCCNC(=O)OC(C)(C)C)c1	497263124	JSBBISAWIMGQIF-UHFFFAOYSA-N	309.370	1.183	50	20	DDGD	
CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NNC(=O)C2CCC2)C1	492725013	PRMVSPCDCNQYEW-LLVKDONJSA-N	323.393	1.191	50	20	DDGD	
CC(C)(C)C[C@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1	585001755	ZSOMZSMETIOXQN-LLVKDONJSA-N	307.174	1.404	50	20	DDGD	
C[C@H](c1ccco1)N(C(=O)c1ccc(B(O)O)c(F)c1)C1CC1	584935002	WJSHXUDFWNMSHM-SNVBAGLBSA-N	317.125	1.464	50	20	DDGD	
CCC(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1	495308112	UFWUZAVENRHZCD-UHFFFAOYSA-N	314.386	1.032	50	20	DDGD	
C[C@@H]1[C@@H](NCc2ccccc2B(O)O)CCN1Cc1ccccc1	585040212	CBCJLUVJFCPMIB-BEFAXECRSA-N	324.233	1.119	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)NC(=O)NNc1cccc(F)c1F	838693338	IYMVGSBKUFGZDT-VIFPVBQESA-N	309.320	1.956	50	20	DDGD	
COc1cccc(CCNC(=O)[C@@]2(C)C[C@H]2Br)n1	906942963	WPIHVLSKLZWOIA-MFKMUULPSA-N	313.195	1.922	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@]1(C)C[C@@H]1Br	905240101	ZMXKFPLKNAYIJO-GXFFZTMASA-N	311.179	1.930	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NN=Cc1cnc2n1CCOC2	905426571	ORIJZFQWIDAXPG-UHFFFAOYSA-N	302.309	1.245	50	20	DDGD	
CC[C@](C)(CNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)OC	838662057	YQVCIGWSFBFLGB-CQSZACIVSA-N	324.337	1.354	50	20	DDGD	
CC(C)(C)Oc1cccc(COc2ccc(B(O)O)cc2)n1	584909716	GOPXCFQJJWIFBB-UHFFFAOYSA-N	301.151	1.518	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cc1)C1(n2cnnn2)CC1	830798111	VYUGJQDPOUGRFE-UHFFFAOYSA-N	312.255	1.324	50	20	DDGD	
CN1CCO[C@@H](C(=O)NNc2ccc(Cl)cc2Cl)C1=O	901161748	GFFFSMMFYOISHV-JTQLQIEISA-N	318.160	1.294	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC[C@@H](C(=O)O)C2)c(O)c1	832912123	VEKQEDRPFVMQHN-GHMZBOCLSA-N	320.345	1.353	50	20	DDGD	
Cc1cnc(CCNC(=O)NNc2ncncc2Cl)cn1	836686839	KMJQOAZSQWTLBY-UHFFFAOYSA-N	307.745	1.097	50	20	DDGD	
O=C([C@H](O)c1cc(Cl)cc(Cl)c1)N1CC[C@@H](B(O)O)C1	585063557	BZZRVWJUTPKIAK-LDYMZIIASA-N	317.965	1.102	50	20	DDGD	
C[C@H](CNC(=O)[C@]1(C)C[C@@H]1Br)CN1CCOCC1	906763381	MAYFTMHSMQTAPP-NTZNESFSSA-N	319.243	1.244	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC[C@H](C(=O)O)C2)cc1	833072736	YEPYCPGGDXEXSV-OLZOCXBDSA-N	315.329	1.210	50	20	DDGD	
Cc1nn(C)c(Cl)c1C=NNC(=O)c1ccnc(N(C)C)c1	731561281	XKFHVWQQAKHMLW-UHFFFAOYSA-N	320.784	1.607	50	20	DDGD	
Cc1ccc(CNCc2ccccc2B(O)O)c(N2CCCC2)c1	585028590	NCXZVJMETGSLAE-UHFFFAOYSA-N	324.233	1.565	50	20	DDGD	
CC(C)(O)[C@H](Oc1ccccc1)C(=O)NNc1ncc(F)cn1	831352248	VNJRAGLGTHIQFH-GFCCVEGCSA-N	320.324	1.277	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCCCO2)nn1C(C)(C)C	833255642	HBWOUCVSTLMHSL-GFCCVEGCSA-N	308.382	1.277	50	20	DDGD	
O=C1Nc2c(F)ccc(Cl)c2C1=NNC(=O)c1ccc[nH]1	914555047	HMXDMJHPVHTMSC-UHFFFAOYSA-N	306.684	1.893	50	20	DDGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CC[C@@](F)(C(=O)O)C1	833062507	MPIJKNYMTYXMMP-VDFGQWLZSA-N	305.265	1.958	50	20	DDGD	
Cc1n[nH]c(C)c1C=NNC(=O)c1nn(-c2ccccc2)cc1O	915952940	ZQVIZKVQDDSABF-UHFFFAOYSA-N	324.344	1.682	50	20	DDGD	
O=C(NNC(=O)c1cnn(-c2ccccc2)c1)NOC1CCC1	836298646	KEDRIBFHXWZIGD-UHFFFAOYSA-N	315.333	1.300	50	20	DDGD	
CC(=O)c1ccc(NC(=S)NNC(=O)N2CCOCC2)cc1	745730221	OEBSPVCKQODUIL-UHFFFAOYSA-N	322.390	1.132	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccc(F)cc2C)ccc1=O	748571104	SMFRFWHLKKVXJW-UHFFFAOYSA-N	319.336	1.699	50	20	DDGD	
CC(C)(C)N1C[C@H](C(=O)NNc2ccccc2[N+](=O)[O-])CC1=O	914748677	YCGHXZHQVYYXCT-SNVBAGLBSA-N	320.349	1.685	50	20	DDGD	
Cc1cc(C=NNC(=O)C(=O)N2CCCC2)c(C)n1C1CC1	748137690	SLLKLTVNCJIZOS-UHFFFAOYSA-N	302.378	1.512	50	20	DDGD	
CO[C@]1(C=NNC(=O)C(=O)Nc2ccc(C)c(C)c2)CCOC1	841614816	ROEGBOWMFXSWKW-INIZCTEOSA-N	319.361	1.149	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)s1	843641407	CAPIFBQGWJTILS-ZJUUUORDSA-N	311.407	1.590	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cnc(F)c(Br)c1	847284788	QUUGOPGDKFDZDH-UHFFFAOYSA-N	302.103	1.154	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c2n[nH]cc2c1	843974953	PUDOLDLMDDKJDU-GXSJLCMTSA-N	302.334	1.057	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCSCc1ccccn1	843641934	DQEYWCSYJGKWTM-AAEUAGOBSA-N	323.418	1.277	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H](C)CCc2ccccc2F)nc1O	743294960	CJQTUKDHGKDQLM-VIFPVBQESA-N	319.340	1.737	50	20	DDGD	
C[C@@H](NC(=O)CC1CCCCC1)C(=O)NNC(=O)NCC1CC1	749850829	FZLMLVJFEQDMBN-LLVKDONJSA-N	324.425	1.202	50	20	DDGD	
CCCN(CC)C(=O)c1ccc(C(=O)NN(C)C[C@@H](C)O)cc1	910166075	RYSYQQSRJGDSSN-CYBMUJFWSA-N	321.421	1.516	50	20	DDGD	
NC[C@@H](NC(=O)NNc1cccc(Br)n1)C1CC1	841945513	PFUCACLLLHVMSY-MRVPVSSYSA-N	314.187	1.208	50	20	DDGD	
COCCN(C)NC(=O)[C@](N)(c1cccc(F)c1)C(F)(F)F	848378666	YLYMRHBZWVAMPK-GFCCVEGCSA-N	323.290	1.151	50	20	DDGD	
CSc1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)ccc1F	843660826	LLBUDJQSERPMTK-SCZZXKLOSA-N	312.366	1.734	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=Cc1cnnn1CC	841607600	YTHOZSUDKSBUBN-UHFFFAOYSA-N	301.350	1.390	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1ccccc1F)c1cnn(C)c1	749985023	DKCRWDCZEPXJGV-JTQLQIEISA-N	304.325	1.053	50	20	DDGD	
CC(CCN(C)C)=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1	915954797	MAGDCINAKSKWSV-SNPRPXQTSA-N	312.458	1.176	50	20	DDGD	
CS(=O)(=O)c1ccc(NC(=O)NN=Cc2ccc[nH]2)cc1	741767422	UKAPQHMYQFWIQX-UHFFFAOYSA-N	306.347	1.574	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2cc([N+](=O)[O-])ccc2O)CCN1C	741773514	YOFNWVRUBFTZSI-VIFPVBQESA-N	306.322	1.500	50	20	DDGD	
COCC(=NNC(=O)c1nn(C)c(=O)c2ccccc12)C(C)C	741458583	VUAHVUXZDIIZPX-UHFFFAOYSA-N	316.361	1.322	50	20	DDGD	
C[C@@H](CCN)NC(=O)NNC(=O)NCc1ccc(Cl)cc1	841966651	FTQWUQWICLEPNP-VIFPVBQESA-N	313.789	1.091	50	20	DDGD	
CCOCCCNC(=O)NNc1ncc(Br)cn1	847263237	GREUZGXRXZVKBK-UHFFFAOYSA-N	318.175	1.292	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNC(=O)[C@@H]1CCCCO1)c1cnn(C)c1	927418925	GHMDPWUYNKLJMV-QWHCGFSZSA-N	323.397	1.017	50	20	DDGD	
C[C@H]1CC[C@H](C(=O)NNC(=O)COc2ccccc2O)CC1	845460353	RBUZDSYLQWTVIZ-HAQNSBGRSA-N	306.362	1.745	50	20	DDGD	
C[C@@H]1Cc2cc(CNS(=O)(=O)CBr)ccc2O1	921589860	ONZSKWFQFBBFGJ-MRVPVSSYSA-N	320.208	1.782	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCCc2cccnc21	843657373	QTPDSGPCHXYEMW-CYZMBNFOSA-N	303.362	1.074	50	20	DDGD	
O=C(NNC(=S)NCC(F)(F)F)c1cc2c(s1)CCC2	750973689	BOBYGQDETVPNNK-UHFFFAOYSA-N	323.365	1.908	50	20	DDGD	
C[C@H]1COC[C@@H]1NC(=O)NNC(=O)CCCc1ccccc1	926005718	XCSWEKYJBDBZOR-JSGCOSHPSA-N	305.378	1.375	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@H]32)n1	859795374	GDNZBDRZNWWAEV-BPLDGKMQSA-N	310.357	1.823	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2cc(F)cc(Cl)c2)CC1	855620100	KTMGGPNNFMDWGJ-UHFFFAOYSA-N	306.746	1.499	50	20	DDGD	
CC(C)Cn1nccc1C(=O)NNC(=O)OCC(F)(F)F	856026360	VXGVHOKNDAJKSX-UHFFFAOYSA-N	308.260	1.472	50	20	DDGD	
CC[C@H]1CC(=NNC(=O)COc2ccc(C#N)cc2)CCO1	756823174	HCDFDWRYPOSHDT-AWEZNQCLSA-N	301.346	1.998	50	20	DDGD	
O=C(CCc1nccs1)NNc1nc(O)c2ccccc2n1	758309105	LSZYHIVEQSHCOE-UHFFFAOYSA-N	315.358	1.868	50	20	DDGD	
CCOC(=O)C1CCC(=NNC(=O)NCC(F)(F)F)CC1	750935129	WNMZMXNLIPMXHB-UHFFFAOYSA-N	309.288	1.957	50	20	DDGD	
CCc1c(C(=O)NNc2nc(O)c3ccccc3n2)cnn1C	758295865	KMDZKCZCCRIGBK-UHFFFAOYSA-N	312.333	1.388	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CCc3n[nH]cc3C2)C[C@@H]1Br	857393262	FPHFXUWJJNGOGM-YDEJPDAXSA-N	312.211	1.804	50	20	DDGD	
COC(=O)C(C)(C)CNC(=O)NNC(=O)CCc1ccccc1	756981425	RFNXWAPUDZOFGK-UHFFFAOYSA-N	321.377	1.149	50	20	DDGD	
CCc1cnc(NC(=O)C(=O)NNc2cc(C)nc(C)n2)s1	756178317	SNPHGGUUFIOGOT-UHFFFAOYSA-N	320.378	1.194	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC2CC2)c(C)n1-c1cnn(C)c1	854666253	RKUSVTAHTKKKPQ-UHFFFAOYSA-N	315.377	1.389	50	20	DDGD	
CC(C)n1ccnc1C=NNC(=O)CNC(=O)c1cccs1	853299319	NUMMHCIDLTVZEL-UHFFFAOYSA-N	319.390	1.406	50	20	DDGD	
Cc1nn(C)c(C)c1CNC(=O)NNc1ncc(Cl)cn1	856873115	KVLOCPGYZCKHTA-UHFFFAOYSA-N	309.761	1.307	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)COc2ccccc2C#N)CN1C1CC1	753955504	OXEXYNGHWKOXSL-GFCCVEGCSA-N	312.373	1.666	50	20	DDGD	
Cc1cccc2c1CCC2=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	853388044	ZDQNKXZIQZSJPE-DYVFJYSZSA-N	313.401	1.625	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(NC(C)=O)cc1	929378385	UESGLNMAJWUDPM-UHFFFAOYSA-N	302.334	1.601	50	20	DDGD	
CC[C@H](C)C(=O)NN=Cc1c(C)nn(C)c1N1CCOCC1	755651073	QNQOLQIYAJDMFU-NSHDSACASA-N	307.398	1.061	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(C)c(-c2ncco2)c1	757715212	MCVPJAOSMWMAGV-UHFFFAOYSA-N	304.306	1.449	50	20	DDGD	
C[C@]1(C(N)=O)CCN(C(=O)NC[C@]2(C)C[C@H]2Br)C1	856897531	NPIIRJJHSGVNMN-ZHAHWJHGSA-N	318.215	1.067	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=Cc1ccnn1CC	753690373	VHVYUKVFCNFZLP-UHFFFAOYSA-N	300.362	1.995	50	20	DDGD	
CCc1nnsc1C(=O)NNc1cccc(C(=O)OC)c1C	855627984	KAKYNUHXSWQPLQ-UHFFFAOYSA-N	320.374	1.952	50	20	DDGD	
O=C(NN=C1CCCOc2ccccc21)C(=O)Nc1ccccn1	758382576	XQPDGTNXLBGDAR-UHFFFAOYSA-N	324.340	1.713	50	20	DDGD	
COc1cc(C=NNC(=O)NCC2CC2)ccc1OCC(=O)O	755669356	WHYVSQXCARODLD-UHFFFAOYSA-N	321.333	1.202	50	20	DDGD	
CC(C)[C@H](F)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855834108	YULCLDVGIJYOML-NSHDSACASA-N	303.378	1.070	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1cnc2ccccc2n1	759289917	PFLIVFNYZUDTIG-UHFFFAOYSA-N	310.273	1.690	50	20	DDGD	
CCCn1cc(C(=O)NNCC(F)(F)C(F)(F)F)nn1	863097043	CATYIIUGYGIOML-UHFFFAOYSA-N	301.219	1.120	50	20	DDGD	
COC[C@@H]1CN(S(=O)(=O)CC(C)(C)CCl)C[C@H](C)O1	867159491	YNLRWPAUAGAJBE-QWRGUYRKSA-N	313.847	1.317	50	20	DDGD	
Cc1cc(=NNC(=O)CCCNC(=O)OC(C)(C)C)cc[nH]1	862509986	YVANSRYKLJXPOB-UHFFFAOYSA-N	308.382	1.560	50	20	DDGD	
COc1ccc(CCS(=O)(=O)NCC(Cl)Cl)cc1	867471128	WMEWXOPKAKSFNU-UHFFFAOYSA-N	312.218	1.961	50	20	DDGD	
Cc1cc(=NNC(=O)c2cnc(C3CCCC3)nc2N)cc[nH]1	862514209	UIFBDTLEKBBFIO-UHFFFAOYSA-N	312.377	1.599	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NC[C@@H](O)C1CCOCC1	768282032	USIAGJOUABFJEO-GHMZBOCLSA-N	322.243	1.700	50	20	DDGD	
CC(C)[C@@H]1CNCCN1C(=O)NC[C@@]1(C)C[C@H]1Br	861654757	WANQRFHIRVLAKA-DMDPSCGWSA-N	318.259	1.799	50	20	DDGD	
Cc1nn(C)cc1CC(=O)N(C)NC(=O)OCc1ccccc1	862288473	FCPMBJOHFBAYOL-UHFFFAOYSA-N	316.361	1.571	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1c(O)cccc1O	863942691	XLFLCKIVSHLIDN-UHFFFAOYSA-N	300.183	1.530	50	20	DDGD	
COC[C@@](C)(NC(=O)NNc1ncccc1C)C(F)(F)F	932325789	GSDHVIKZKONKKJ-LLVKDONJSA-N	306.288	1.984	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)[C@@H]2CCOC2)cc1	762840722	SRYOWKWYAHNNLQ-SJWLEHQBSA-N	315.325	1.751	50	20	DDGD	
Nc1ccc(C(=O)NN=Cc2ccc(-n3cncn3)c(F)c2)cc1	863950615	DUONPJGAYDRDAU-UHFFFAOYSA-N	324.319	1.753	50	20	DDGD	
Cn1nc2c(c1C(=O)NNC(=O)NCc1ccco1)CCCC2	765119289	NLGLSPFAOMDALU-UHFFFAOYSA-N	317.349	1.036	50	20	DDGD	
CN(C)[C@H]1[C@@H]2CN(C(=O)[C@H](Br)C(C)(C)C)C[C@@H]21	861912993	WCHMWBMJYUMGLH-ZDCRXTMVSA-N	303.244	1.814	50	20	DDGD	
Cc1ccc(-c2nc(C=NNC(=O)[C@H]3CCC(=O)N3)co2)cc1	863147969	PVGFYRQCPYFNLW-CYBMUJFWSA-N	312.329	1.379	50	20	DDGD	
CC[C@H]1CO[C@H](C)CN1CC(=O)NNC(=O)c1ccc(C)cc1	762274464	ZPZUQUUHTYKEHN-HIFRSBDPSA-N	319.405	1.255	50	20	DDGD	
O=C(NNC(=O)c1cc(C2CCCCC2)[nH]n1)c1cn[nH]c1	862472820	TXWHQCMCKDQOQF-UHFFFAOYSA-N	302.338	1.255	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCOc1ccc(F)c(Cl)c1	768247931	PHCUAPWSWKWQBC-UHFFFAOYSA-N	318.732	1.166	50	20	DDGD	
COc1cc(O)c(C=NNC(=O)c2ccc(O)cc2)cc1OC	768356769	BAYZTOYHYSITAK-UHFFFAOYSA-N	316.313	1.879	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@@H]1CCCc2c[nH]nc21	767228153	ZSOWWRPNGOWOGE-SSDOTTSWSA-N	305.260	1.070	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CC(F)(F)C(F)(F)F)n1	867924779	ZDFPLEKYNUZQJN-UHFFFAOYSA-N	311.210	1.739	50	20	DDGD	
O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(B(O)O)cc1	863871066	YOHKTNIFKALCGC-UHFFFAOYSA-N	324.189	1.609	50	20	DDGD	
C[C@@H](NNC(=O)c1cncc(N2CCCC2)n1)C(F)(F)F	869376069	BSAISEXGDJQEJS-MRVPVSSYSA-N	303.288	1.262	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)c1ccc(O)c(F)c1	768024055	BAFPSMXUMDQJCD-UHFFFAOYSA-N	320.276	1.077	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CO[C@@H]1CCOC1)c1ccccc1	1116193755	HNOJBSODHXRPCR-KGLIPLIRSA-N	306.362	1.133	50	20	DDGD	
Cc1cn2ccnc(C(=O)NNc3nc4ccccc4[nH]3)c2n1	762897436	GLKONGLSCADVSV-UHFFFAOYSA-N	307.317	1.671	50	20	DDGD	
C[C@H]1Cc2cc(F)ccc2[C@H](C)N1CC(=O)NNC(=O)C1CC1	769955586	ZUQFMEXOCZKYQF-QWRGUYRKSA-N	319.380	1.691	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC[C@H](CC(N)=O)C1	768223216	KLTGGRAKCWXVNA-KOLCDFICSA-N	319.243	1.910	50	20	DDGD	
CCCn1cc(C=NNC(=O)CSc2ccccc2O)nn1	872377725	INENHGFDIADOLY-UHFFFAOYSA-N	319.390	1.636	50	20	DDGD	
C[C@@H](NC(=O)C1CCCCC1)C(=O)NNc1ccc(F)cn1	874651145	JOVABPSGKSXYHK-SNVBAGLBSA-N	308.357	1.749	50	20	DDGD	
COC(=O)c1cncc(C(=O)NNc2nccnc2Cl)c1	774301509	HTIGDQPIBYXBKB-UHFFFAOYSA-N	307.697	1.069	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)c1ccccc1	772296114	LZEMGWLINDDTLG-QWHCGFSZSA-N	320.389	1.915	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=S)Nc1ccc(OC)nc1	874953897	KMAMTVCYGGUOLI-UHFFFAOYSA-N	306.391	1.457	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@]2(C1)OCc1ccccc12	770676970	SKMHCHGJEOABCN-PXAZEXFGSA-N	317.389	1.064	50	20	DDGD	
C=C[C@@H](CC(=O)O[C@H](C)C(=O)NNC(=O)CC)c1ccccc1	772221771	UCPWSIYEYHBOIW-OLZOCXBDSA-N	318.373	1.835	50	20	DDGD	
CC(=NNC(=O)COc1cc(C)ccc1C)c1cn(C)cn1	872329425	MKUFHLKBMMFAQP-UHFFFAOYSA-N	300.362	1.956	50	20	DDGD	
O=C(NNC(=O)c1cnn(-c2ccccc2)c1)Nc1ccncn1	770767763	GBSWYKPOCOOGRC-UHFFFAOYSA-N	323.316	1.129	50	20	DDGD	
CN(C)CCOc1cccc(NC(=O)NNc2ncccn2)c1	775512410	OEFMCUDGJIBCJK-UHFFFAOYSA-N	316.365	1.566	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CCC=C(Cl)C1	878792589	UZGVNLMDCCZXIH-UHFFFAOYSA-N	321.808	1.513	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)COC1CCCC1	772020251	AAVYYQHTEPXTMS-NSHDSACASA-N	314.382	1.071	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cc(C)nc(O)c1	777392657	STKWVWBUGHGOEQ-UHFFFAOYSA-N	301.302	1.179	50	20	DDGD	
Cc1ccc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)nc1	772217108	YHWXQOMRQLCJBL-NSHDSACASA-N	307.350	1.129	50	20	DDGD	
COC(=O)[C@H](NNC(=O)c1ccccc1OC)c1cccnc1	771897988	MTIPYRYBWZHUAC-CQSZACIVSA-N	315.329	1.239	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@H]1CC(=O)Nc2ccccc21	887154292	FYFCDBRWEWPXAT-GFCCVEGCSA-N	313.357	1.453	50	20	DDGD	
C=CCCCCNC(=O)NNC(=O)COc1ccccc1C#N	771375371	DSCLMFCMNTYOLR-UHFFFAOYSA-N	316.361	1.624	50	20	DDGD	
CCOC(=O)[C@@H](CC(=O)NNc1ccc(F)c(F)c1)C(C)=O	885113592	GCQOSDNXCHCYGG-JTQLQIEISA-N	314.288	1.566	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1ccc2ccccc2n1	779818433	QJXMWBORAMJUID-UHFFFAOYSA-N	300.318	1.431	50	20	DDGD	
C[C@@H](OCc1ccccc1)C(=O)NNC(=O)C1CCOCC1	883061333	QHOTXOFKBDZTNZ-GFCCVEGCSA-N	306.362	1.166	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CS[C@H]2CCCOC2)cc1	779831024	UWRPRCCNVIPKLF-ZDUSSCGKSA-N	319.386	1.231	50	20	DDGD	
COc1cccc([C@@H](C)CC(=O)NNC(=O)C2CCOCC2)c1	883065165	BWKGKFQEMBFZEJ-LBPRGKRZSA-N	320.389	1.763	50	20	DDGD	
Cc1ccc2occ(CC(=O)NNC(=O)C3CCOCC3)c2c1	883072725	WTOKWPBRZHJUEF-UHFFFAOYSA-N	316.357	1.858	50	20	DDGD	
Cc1c(NNC(=O)[C@H]2CCc3nccn3C2)cccc1[N+](=O)[O-]	787133810	KUMDYCAZHVLNFY-NSHDSACASA-N	315.333	1.805	50	20	DDGD	
COc1cc(C=NNC(=O)C(F)F)cc(OC)c1OC(C)=O	782237401	KHLCYZGBBZKWLJ-UHFFFAOYSA-N	316.260	1.344	50	20	DDGD	
CCOC(=O)C1(CC(=O)NNc2ccc(Cl)nn2)CCC1	789907425	UZYWELKBKLKPSW-UHFFFAOYSA-N	312.757	1.697	50	20	DDGD	
COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NNC(=O)C(C)C)c1	788086518	JPDIJZWZGHESKV-AAEUAGOBSA-N	306.362	1.611	50	20	DDGD	
N#CC1=CCN(C(=O)c2ccc(=O)n(-c3ccccc3F)n2)CC1	780687724	JAEWUPLVIYVECB-UHFFFAOYSA-N	324.315	1.667	50	20	DDGD	
CS(=O)(=O)c1ccccc1C(=O)NNc1ccnc(F)c1	781365565	VWGFTKJPZMOYBR-UHFFFAOYSA-N	309.322	1.381	50	20	DDGD	
CC(C)(C#N)CNC(=O)NNC(=O)c1cc2c(s1)CCC2	781953215	CVMBBJXLASUGSX-UHFFFAOYSA-N	306.391	1.731	50	20	DDGD	
NC(=O)[C@H]1CCC[C@H](C(=O)NNc2cnnc3ccccc23)C1	787998940	DTTBXIIXDLVRSQ-QWRGUYRKSA-N	313.361	1.365	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@H]1C[C@]12C(=O)Nc1ccccc12	894254949	KYZJCLOVSMPROI-PIGZYNQJSA-N	315.373	1.480	50	20	DDGD	
CCOC(=O)NNC(=O)CCCc1ccc(OC)c(OC)c1	895512779	SSGBNVKXLGPMQI-UHFFFAOYSA-N	310.350	1.804	50	20	DDGD	
CN(CCSCC(=O)NNC(=O)C1CC1)Cc1ccccc1	788509018	MDULMTNAWNFSGT-UHFFFAOYSA-N	321.446	1.409	50	20	DDGD	
CC(=NNC(=O)c1ccccn1)c1ccc2c(c1)OCC(=O)N2	794857356	YGRNUEBIZWXFKC-UHFFFAOYSA-N	310.313	1.567	50	20	DDGD	
CCc1nnsc1C(=O)NNc1cccc(F)c1[N+](=O)[O-]	791066397	HLXXROYSCGIACR-UHFFFAOYSA-N	311.298	1.905	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCOCc2ccccc21	791576950	YGVVVVDUVIBQTR-CYBMUJFWSA-N	319.405	1.605	50	20	DDGD	
Cc1cccc(=O)n1C[C@](C)(O)C(=O)NNc1ccccc1	792260523	NRKGNXLMHZHQGS-INIZCTEOSA-N	301.346	1.051	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Nc2cncc(F)c2)c1	799235302	DVEATHXJOAQFMU-UHFFFAOYSA-N	318.308	1.761	50	20	DDGD	
N#Cc1ccc(C[C@@H](C#N)C(=O)NNC(=O)c2ccccc2)cc1	791442888	NCLUJXHFBCZMLB-INIZCTEOSA-N	318.336	1.702	50	20	DDGD	
O=C(CCc1cnc2ccccc2c1)NNC(=O)NCC1CC1	792082931	CEWYIJGVPLYELI-UHFFFAOYSA-N	312.373	1.908	50	20	DDGD	
C[C@@H](Oc1ccc(C=NNC(=O)c2ccccn2)cc1)C(=O)O	794856892	SYQCBMJWNJMVDS-LLVKDONJSA-N	313.313	1.697	50	20	DDGD	
Cc1ccc2c(c1)CC[C@@H](C(=O)NNC(=O)NCC1CC1)O2	793208609	ZGCJIKFOPLVFKH-AWEZNQCLSA-N	303.362	1.429	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCc2cscc2C)n1	793085489	NMPAVTDHPBNUCI-UHFFFAOYSA-N	304.375	1.904	50	20	DDGD	
O=C(O)Cn1cc(C=NNC(=O)c2cccnc2)c2ccccc21	799863805	BUZSZKBXLIKGIL-UHFFFAOYSA-N	322.324	1.885	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2cccc(F)c2[N+](=O)[O-])C1	791066463	IKZRZSZKGMMKPG-RKDXNWHRSA-N	324.312	1.469	50	20	DDGD	
Cc1ccnc2ccc(C(=O)NNC(=O)c3cnn(C)c3)cc12	796530667	XHPUFYGFHGNIBY-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1nc(C2CCC2)cs1	799446778	AYBQGFFFSRGODR-UHFFFAOYSA-N	320.378	1.909	50	20	DDGD	
C=C(CBr)COC(=O)[C@H]1CCC[C@H](C(N)=O)C1	795622535	YFMUEYVOJWJJIH-UWVGGRQHSA-N	304.184	1.772	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1O)n1cccc1	1319598086	FACTYINWSDMUKP-VIFPVBQESA-N	307.737	1.869	50	20	DDGD	
COCCOCC(=O)NN=C1CCOc2c(C)ccc(C)c21	1329730000	DXYMUSGGZNIHBV-UHFFFAOYSA-N	306.362	1.569	50	20	DDGD	
O=C(COc1ccc([N+](=O)[O-])c(F)c1)NNc1ncccc1F	1322418828	FJYLESSTYBUSNX-UHFFFAOYSA-N	324.243	1.790	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)Nc2ccc(OC)cc2)nn1C	1322746624	PECIMSZMZPFUTA-UHFFFAOYSA-N	317.349	1.458	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2nnc3ccccc3n2)nn1	1327554579	FFMXGEBDXSSJIT-UHFFFAOYSA-N	323.360	1.869	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CCn3cnnc3[C@@H]2C)c1	1334940232	WKVZVCZYHXYWKH-VIFPVBQESA-N	320.378	1.079	50	20	DDGD	
CC(C)(CCNC(=O)NNC(=O)c1cn[nH]c1)c1ccccc1	1330441041	XZYOGXSXWAIAKW-UHFFFAOYSA-N	315.377	1.722	50	20	DDGD	
Cc1cc(C(F)(F)F)nn1CC(=O)NNc1ccn(C)n1	1345199419	YLXNOWAXOWEXPS-UHFFFAOYSA-N	302.260	1.087	50	20	DDGD	
O=C(O)c1ccnc(C(=O)NNC(=O)c2ccccc2Cl)c1	1602481512	GGXPEVPPWIRYRN-UHFFFAOYSA-N	319.704	1.508	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccnc(C(=O)O)n1	1600788537	UTGDWDIZHQWZPB-UHFFFAOYSA-N	323.740	1.479	50	20	DDGD	
CCOC(=O)/C(C#N)=C/c1c(F)cc(-c2nn[nH]n2)cc1F	1609231696	RLCPFXJTASCVLM-FPYGCLRLSA-N	305.244	1.615	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(C(=O)O)c(F)c1)c1ncnn1C	1604292200	TTWMJJNCZDYUAF-SSDOTTSWSA-N	322.300	1.040	50	20	DDGD	
Cn1cc(C#N)c(NC(=O)NNc2ccc(C(=O)O)c(F)c2)n1	1608093627	NAAIXJMOAATTMT-UHFFFAOYSA-N	318.268	1.278	50	20	DDGD	
O=C(COCc1ccnc(O)c1)NNc1ccccc1C(=O)O	1608348845	HPLKWMMNWKIWFB-UHFFFAOYSA-N	317.301	1.145	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)c1ccc(C(=O)O)nc1	1605815950	ZHRHZQWVXDXWBU-UHFFFAOYSA-N	319.704	1.508	50	20	DDGD	
O=C(O)C12CC(C(=O)N3C[C@H]4[C@H](Br)[C@H]4C3)(C1)C2	1608580780	NATUBEDHGWFBRI-XTSZWWAJSA-N	300.152	1.093	50	20	DDGD	
Cc1ccc(C#N)cc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	1605806034	SWWNRFUSOLSGHV-UHFFFAOYSA-N	319.328	1.804	50	20	DDGD	
O=C(COc1ccc(F)cc1)NN=Cc1ccc(C(=O)O)o1	1610671174	JIVYTPNHZSMKSG-UHFFFAOYSA-N	306.249	1.646	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)c2ccc(CCl)cc2)[C@H](C)CN1	1576814184	ZDBOSCMIRJHSTM-WDEREUQCSA-N	302.827	1.796	50	20	DDGD	
CC(=O)Nc1cccc(C(=O)NNc2ncccc2C(=O)O)c1	1573356130	MIRGKNMFWVYNLA-UHFFFAOYSA-N	314.301	1.495	50	20	DDGD	
C[C@@H]1CCN[C@H](C(=O)NN=c2sc3ccccc3n2C)C1	1576746387	ZPSMRSCPFHPKNE-MNOVXSKESA-N	304.419	1.560	50	20	DDGD	
C[C@@](C#N)(CC(=O)O)C(=O)NNc1nc2cccnc2s1	1588542166	TUENDKPDIVBBCW-LBPRGKRZSA-N	305.319	1.139	50	20	DDGD	
O=C(NNc1ncccc1C(F)(F)F)[C@@H](F)[C@H]1CCNC1	1580742827	GRXCIJLOSYYGHG-CBAPKCEASA-N	306.263	1.491	50	20	DDGD	
CC(C)(C)OC(=O)C(=O)NNc1ccc(C(=O)O)c(Cl)c1	1589840313	ZHAFZFZVSYZKKW-UHFFFAOYSA-N	314.725	1.823	50	20	DDGD	
CCc1ccc(NNC(=O)c2ccc(-c3nn[nH]n3)nc2)cc1	1590891580	POILJKZLPKDGOV-UHFFFAOYSA-N	309.333	1.581	50	20	DDGD	
N#Cc1cc(O)cc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1	1592690171	OBISGRYYJRFRQU-UHFFFAOYSA-N	321.300	1.201	50	20	DDGD	
CC(C)(CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@@H]1F	1847436044	ISDXZDPKUVUGKI-RHYQMDGZSA-N	316.804	1.811	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1cccc(-c2nn[nH]n2)n1	1591993412	IVEVLVIQHBYCKM-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
O=C(NN=C[C@@H]1CCCOC1)c1cccc(-c2nn[nH]n2)c1	1593155662	WJNGMLMCPMSSMH-JTQLQIEISA-N	300.322	1.009	50	20	DDGD	
CO[C@H]1CCCCC1=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1591363022	VIEDWVHEESSRPJ-ZDUSSCGKSA-N	314.349	1.542	50	20	DDGD	
CN(C)c1cc(NC(=O)NNc2cccc(C(=O)O)c2)ncn1	1598307510	WUPVVDVJUWTIOE-UHFFFAOYSA-N	316.321	1.389	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)c1cc(-c2nn[nH]n2)[nH]c1C	1592173389	OINAEDGMVDNCDO-UHFFFAOYSA-N	315.312	1.708	50	20	DDGD	
COc1cc(NNC(=O)N[C@H]2C[C@H](C(=O)O)C2)ccc1Cl	1599444855	GKROXPLKYGBMLE-XWEPSHTISA-N	313.741	1.838	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2cccn2CC(=O)O)CC1	1594419386	ZREPJYPHAWDXBR-UHFFFAOYSA-N	320.393	1.145	50	20	DDGD	
C[C@H]1CCN(S(=O)(=O)CC(C)(C)CCl)[C@H](C(=O)O)C1	1594426108	AQORXQTZYIGSOS-UWVGGRQHSA-N	311.831	1.766	50	20	DDGD	
Cn1ncc(C(=O)O)c1C=NNC(=O)[C@@H]1CCO[C@H]1C(C)(C)C	1776106873	AEQMQKGTUKSVFZ-BXKDBHETSA-N	322.365	1.020	50	20	DDGD	
C[C@@H](NC(=O)/C(C#N)=C\c1c(C(=O)O)cnn1C)c1ccccc1	1776117696	FZYJZGFUAIQRFC-JYVXZMADSA-N	324.340	1.903	50	20	DDGD	
COc1ccc(C)c(C=NNC(=O)[C@@H]2CCO[C@@H]2C)c1C(=O)O	1776082218	DJHDUSXGKVOHEI-GHMZBOCLSA-N	320.345	1.577	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=Cc1ccc(C(=O)O)c(OC)c1	1776102056	FUKGRFYWUJKYHF-DGCLKSJQSA-N	306.318	1.269	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cn2nc(C)cc2C)c(C)c1	15462517	JDCIOAKGCBUGQY-UHFFFAOYSA-N	300.362	1.578	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	15794255	AHGANNRVJKEEFI-UHFFFAOYSA-N	318.333	1.366	50	20	DDGD	
COC(=O)NNC(=O)c1[nH]nc(C(C)C)c1Br	158687375	WUDZSGMNHHBMLR-UHFFFAOYSA-N	305.132	1.296	50	20	DDGD	
COC(=O)NNC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1	158942349	ZSZLUHZLNABIJE-UHFFFAOYSA-N	324.724	1.710	50	20	DDGD	
C[C@@H](Oc1cccnc1)C(=O)NNc1cccc([N+](=O)[O-])c1	151668893	IEZWPLNJKCIRTF-SNVBAGLBSA-N	302.290	1.900	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccncc2)cnn1CCC(C)C	153792581	ACKRDVRNLLKFJM-UHFFFAOYSA-N	315.377	1.707	50	20	DDGD	
COc1ccc(NNC(=O)NCc2c(C)nn(C)c2C)nc1	157500835	NMUJEEBKXIJXFG-UHFFFAOYSA-N	304.354	1.267	50	20	DDGD	
O=C(Cn1nnc2ccccc2c1=O)NNc1cccc(F)c1	154791491	PVUDUDFFHJRJQP-UHFFFAOYSA-N	313.292	1.074	50	20	DDGD	
CSSCCNC(=O)CCN1C(=O)c2ccccc2C1=O	284061265	LKARKYXBLLVDEN-UHFFFAOYSA-N	324.427	1.800	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1ccc(OC(F)(F)F)cc1	6991409	OIIWVFNUGZQHGA-UHFFFAOYSA-N	313.235	1.988	50	20	DDGD	
COc1cccc(CC(=O)NNC(=O)Cc2ccc(F)cc2)c1	27244979	ZVRQPEQLKZOYNB-UHFFFAOYSA-N	316.332	1.767	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)C2CC2)C1	52933911	RMDYUNFWPJLNKP-NSHDSACASA-N	311.382	1.191	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)Cc2cccnc2)c(C)c1	103511862	JFRYXIIZQQQQCE-UHFFFAOYSA-N	312.373	1.772	50	20	DDGD	
COC[C@@H](C)CNC(=O)NNC(=O)c1cc2ccccc2o1	176268376	QITPRUVRNRSCIK-JTQLQIEISA-N	305.334	1.659	50	20	DDGD	
O=C(CC[C@@H]1CCOC1)NNC(=O)c1c[nH]c2ccccc12	177645362	QHZSJNVSQAZOJK-LLVKDONJSA-N	301.346	1.746	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCCn1ccnc1	54029591	NWFDWPCTEZDYFP-UHFFFAOYSA-N	301.350	1.226	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccccc1	172161396	QVXJJIYPNQNZRI-BARDWOONSA-N	317.389	1.831	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cc3c(s2)CCC3)cnn1C	10124486	FFWSEIDDHKQNDJ-UHFFFAOYSA-N	304.375	1.354	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	10160296	NYENCTXOHCOCJH-UHFFFAOYSA-N	310.266	1.310	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)c1ccc(F)nc1	114267261	YMNDTPUQEJMWCQ-UHFFFAOYSA-N	312.304	1.637	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C(=O)NNC(=O)NC(C)C)c1C	63270800	XACQIFSRXKNTCA-UHFFFAOYSA-N	310.354	1.161	50	20	DDGD	
CC(=O)N[C@@H](CC(=O)NNC(=O)NC1CC1)c1ccc(C)cc1	64429371	DIBDSYAICKRFME-AWEZNQCLSA-N	318.377	1.055	50	20	DDGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)[C@@H]1COCCO1	179948310	AVUFEOMKJSDQMN-VIFPVBQESA-N	309.124	1.991	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)Cc1cccnc1	171511210	IVZXBHORKKRIFZ-UHFFFAOYSA-N	313.357	1.413	50	20	DDGD	
O=C(/C=C/c1cncc(F)c1)NNC(=O)Cc1ccncc1	175787915	PERHLOHPBCEPGV-OWOJBTEDSA-N	300.293	1.019	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNc1nc(-c2ccccc2)no1	110853576	NBPBCICBTNEXEI-UHFFFAOYSA-N	312.333	1.844	50	20	DDGD	
CCCCN(C)CCNC(=O)NNC(=O)c1ccc(CC)cc1	112465119	KNGNTSGRAICBEZ-UHFFFAOYSA-N	320.437	1.925	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1	65190794	RZTLNGPJRMVKLC-UHFFFAOYSA-N	322.365	1.998	50	20	DDGD	
CCc1ncc(C(=O)NNC(=O)Cc2ccccc2F)s1	66784318	FZOIDZOEXPJVOD-UHFFFAOYSA-N	307.350	1.848	50	20	DDGD	
O=C(C[C@@H]1C(=O)Nc2ccccc21)NNc1ncc(F)cn1	122452211	HWBOEMOWMJBGLD-JTQLQIEISA-N	301.281	1.185	50	20	DDGD	
C[C@H]1[C@@H](C)OCCN1C(=O)NNC(=O)c1cccc(C#N)c1	120601247	RUGULCQYGULGRS-WDEREUQCSA-N	302.334	1.022	50	20	DDGD	
COc1cccc(NNC(=O)C[C@](C)(O)c2ccccc2)n1	183029929	VNAWWJDKOAXTCN-INIZCTEOSA-N	301.346	1.831	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccccc1CC(F)(F)F	186179924	PFPIGSZMHIEPDH-UHFFFAOYSA-N	319.283	1.981	50	20	DDGD	
COCCCCC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	120691226	VGHUJCIQBPHCQU-NSHDSACASA-N	312.341	1.557	50	20	DDGD	
CNS(=O)(=O)c1cc(C(=O)NNc2cccc(C)c2)co1	129796683	BWBCRMLARRBATI-UHFFFAOYSA-N	309.347	1.253	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@@H]1CCc2[nH]ncc2C1	122201044	XUKBEUDCWZFJIB-MRVPVSSYSA-N	307.745	1.037	50	20	DDGD	
CCCc1noc(CCCC(=O)NNc2cc(C)nc(C)n2)n1	128571352	JEVIQXDPKRIUSL-UHFFFAOYSA-N	318.381	1.895	50	20	DDGD	
CC1(C)C[C@@H](NC(=O)NNc2nc3ccccn3n2)CCO1	189671073	BQBXCMIQOLFUMB-JTQLQIEISA-N	304.354	1.313	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](CC)c1cc(F)ccc1F	77873036	BHXIWFVEVJYMAD-GFCCVEGCSA-N	315.320	1.783	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(OC(F)F)cc1	41962115	AUMUGYMLZSLNHY-UHFFFAOYSA-N	301.318	1.583	50	20	DDGD	
COC(=O)c1ccc(/C=C(\C#N)C(=O)NCCCOC(C)C)o1	195332309	OJAVPLKAQWHWKN-FMIVXFBMSA-N	320.345	1.904	50	20	DDGD	
COc1ccccc1C(=O)NCC(=O)NNc1ccc(F)cc1	192658490	YLFFMVUAGRZDRJ-UHFFFAOYSA-N	317.320	1.707	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Cc2cccc(OCC#N)c2)n1	132322884	IXAGCZKJWPMRDA-UHFFFAOYSA-N	311.345	1.682	50	20	DDGD	
O=C1CCCC[C@H](C(=O)NNC(=O)c2cc3ccccc3o2)N1	194270993	PIJOAROFRCOXKT-LLVKDONJSA-N	315.329	1.253	50	20	DDGD	
COc1csc(C(=O)NNc2nc3ccccc3c(=O)[nH]2)c1	137163953	PDEXAHFRALKXGR-UHFFFAOYSA-N	316.342	1.750	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccc[nH]1)c1cccc([N+](=O)[O-])c1	194555536	JDRIPFUKAQPHMN-SECBINFHSA-N	317.305	1.628	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc(F)ccc1Br	194930299	MCLKJLJSUYIKBD-UHFFFAOYSA-N	304.119	1.504	50	20	DDGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cn(C)c(=O)n(C)c2=O)c1	255908381	WBXSXLAKQFNUAQ-ZSOIEALJSA-N	323.352	1.491	50	20	DDGD	
COc1ccc(C=NNC(=O)Cc2cc(O)nc(=S)[nH]2)cc1	254485411	VFNWYMROAWTJFC-UHFFFAOYSA-N	318.358	1.546	50	20	DDGD	
CC(C)c1[nH]nc(C(=O)NNC(=O)OC(C)(C)C)c1[N+](=O)[O-]	269320988	IZTDUYGHGWACQQ-UHFFFAOYSA-N	313.314	1.611	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@H](C)C(C)(C)C	265317013	ULWFHNMGQXJCHD-NSHDSACASA-N	308.378	1.904	50	20	DDGD	
COc1ccccc1OCCC(=O)NNC(=O)c1cccn1C	263766230	DOGOCOINQHVCFG-UHFFFAOYSA-N	317.345	1.264	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C[C@@H]2COC(=O)C2)c1C	268811842	JAANSWPKUADHHD-NSHDSACASA-N	321.402	1.574	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCCOCC1	271893539	FXCZATNHDYBKMC-NSHDSACASA-N	322.321	1.108	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C(=O)N2CCC[C@@H](C)C2)cc1	274537293	DBEGXRNGVGBBBL-GFCCVEGCSA-N	317.389	1.269	50	20	DDGD	
CC(=O)N1CCCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)CC1	279666108	FAKKQUZWLGUMDK-PTNGSMBKSA-N	313.357	1.380	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](OC)c1ccccc1	276619618	UNLZDUNSQMHYQO-ZDUSSCGKSA-N	324.377	1.311	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)C(C)(C)O)cc1OC	277048833	HWUVHECJKCIDLR-UHFFFAOYSA-N	324.377	1.406	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc(Cl)ccn1	276499336	BZRUAXMAGGZSRE-UHFFFAOYSA-N	315.757	1.285	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)NOCCC(F)(F)F	275062827	RPDGUIRAGLZIHJ-UHFFFAOYSA-N	309.219	1.654	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNc1ccc(C(N)=O)nn1	274410018	VEJFPPHHYPEVJD-PWSUYJOCSA-N	321.381	1.004	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)c(C)c1	274294812	QTYIPXUHGSHHAL-UHFFFAOYSA-N	307.350	1.798	50	20	DDGD	
Cc1c(CCC(=O)NNc2ncnc3ccsc23)cnn1C	270327797	CRJFDIWJIIFURA-UHFFFAOYSA-N	316.390	1.809	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1	371589571	HKZVLHFBVDVEAA-ZDUSSCGKSA-N	319.361	1.316	50	20	DDGD	
Cc1nccn1CCCN(C)S(=O)(=O)CBr	272821910	PDJPPTHZVNKLEM-UHFFFAOYSA-N	310.217	1.196	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCC[C@H]2CCO[C@@H](C)C2)n1	280304392	OJKQAYGAMJOTFQ-STQMWFEESA-N	320.393	1.539	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@H]1CCc2cn[nH]c2C1	287335119	YHOWKIHKOXGNHC-NSHDSACASA-N	312.377	1.715	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@H]2COc3ccccc32)nc1	289450224	TUBPRDAZKOWODW-NSHDSACASA-N	314.345	1.893	50	20	DDGD	
COCCN(C)NC(=O)Cc1csc(-n2c(C)ccc2C)n1	288477388	KZGYFWWZDCXMQM-UHFFFAOYSA-N	322.434	1.703	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)/C(C#N)=C\c2ccc(O)cc2)[C@H]1OC	280143090	HGRHFGJKWPSUCI-OADCXMMGSA-N	316.357	1.608	50	20	DDGD	
COCCn1cc(CNC(=O)NNc2ccc(Cl)nc2)cn1	282522368	QWHDRGOOQPBYAL-UHFFFAOYSA-N	324.772	1.404	50	20	DDGD	
CS[C@H](C(=O)NNC(=O)NCC(F)(F)F)c1ccccc1	281386464	XOIIBSCISVKDQA-VIFPVBQESA-N	321.324	1.983	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)Cc2ccncc2C)cc1	802061199	RWVRDZHZGSYMAC-UHFFFAOYSA-N	314.345	1.794	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ocnc1-c1ccccc1	295290494	JESOKQMIQQGCNP-NSHDSACASA-N	301.302	1.282	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cccn1C(C)C	807368548	IPTTVEZOZNOWLA-UHFFFAOYSA-N	311.382	1.619	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNC(=O)CC2CCCC2)cn1C1CC1	806724730	SOTGXVAPAPFOTM-UHFFFAOYSA-N	317.389	1.833	50	20	DDGD	
O=C1CC(C(=O)NNC(=O)c2ccccc2)(c2ccccc2)C1	809952776	DXWCYNKRKNLTQZ-UHFFFAOYSA-N	308.337	1.749	50	20	DDGD	
COc1ccc(F)cc1CC(=O)NNC(=O)N=c1cc[nH]cc1	802025725	DXEKTBQMRJHOHL-UHFFFAOYSA-N	318.308	1.047	50	20	DDGD	
CNC(=O)Oc1cccc(NC(=O)NNC(=O)OC(C)(C)C)c1	297011742	JGCQNOPYCFURCZ-UHFFFAOYSA-N	324.337	1.966	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)c2ccc(C)cc2O)cn1	806527507	LGBQPMUAXJQIOE-UHFFFAOYSA-N	300.318	1.212	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)COc1ccc(OC)cc1)C(C)C	297994478	NPUDBQQCHWJLPQ-AWEZNQCLSA-N	319.361	1.062	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1ncoc1C1CC1	292685975	PGTJRIFSPZBVCY-UHFFFAOYSA-N	319.292	1.531	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1cn2c(n1)CCCC2	801981824	CPQPERVJWFBEEH-UHFFFAOYSA-N	313.361	1.994	50	20	DDGD	
O=C(CN1CCCC1=O)NNC(=O)Nc1cccc(Cl)c1	298702544	DNHNCOYDZIMELP-UHFFFAOYSA-N	310.741	1.115	50	20	DDGD	
COc1ccc(C=NNC(=O)c2cnn(C)c2)c(C)c1OC	807972402	CQOVMEXYNBYKIL-UHFFFAOYSA-N	302.334	1.510	50	20	DDGD	
CCCSCC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802092793	CNXFCJHMONJRCX-UHFFFAOYSA-N	311.363	1.711	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C(C)(C)C)o1	294897204	MFVVZQFKPYTEQY-GWCFXTLKSA-N	323.393	1.758	50	20	DDGD	
O=C(C[C@@H]1Oc2ccccc2NC1=O)NNc1cccc(F)n1	804771969	VYRWFOJHLCJYDZ-NSHDSACASA-N	316.292	1.454	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1ccccc1OCC1CC1	293295624	KKEJJGCZKDMIDG-AWEZNQCLSA-N	319.361	1.807	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cc(Cl)ncc1Cl	294696661	QPZXKBOQCJQLGY-QMMMGPOBSA-N	304.133	1.328	50	20	DDGD	
C/C(=C\C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)c1ccccc1	298822849	PEBCMSOMOUMZHD-FQNOHDAGSA-N	322.430	1.582	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2cccc(C3CC3)n2)O1	296759832	MWHFOTURHBNWKG-CABZTGNLSA-N	304.350	1.679	50	20	DDGD	
COc1cnc(C(=O)NNc2ccc(OC)cc2[N+](=O)[O-])nc1	815831103	YWJJNYSZBOHXIN-UHFFFAOYSA-N	319.277	1.159	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)C(=O)NN=Cc1nccs1	814892205	OISHCOSBIWEHPD-UHFFFAOYSA-N	322.777	1.563	50	20	DDGD	
COC(=O)c1coc(C=NNC(=O)COc2ccccc2O)c1	814951050	KSJBUFZUDWUFCB-UHFFFAOYSA-N	318.285	1.301	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)CNc1ccccc1OC	812456180	RHTHHKYWKJSSNQ-RYUDHWBXSA-N	323.393	1.173	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)c2ccc(C)cc2O)n1C	814811194	UYFQUELYSFMXEG-UHFFFAOYSA-N	315.329	1.590	50	20	DDGD	
COCCOc1ccc(C(C)=NNC(=O)c2ccnnc2)cc1	817342443	JRNJKODEAFYCOX-UHFFFAOYSA-N	314.345	1.656	50	20	DDGD	
CC(=NNC(=O)Cc1ccccn1)c1cc(C(=O)O)cs1	814838549	SEZCAYHYXYIFDU-UHFFFAOYSA-N	303.343	1.924	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)Cc1ccccc1S(C)(=O)=O	819850218	SCZIGFGQYZMUFA-UHFFFAOYSA-N	324.229	1.895	50	20	DDGD	
CC(=NNC(=O)N=c1cc[nH]cc1)c1ccc(N)c([N+](=O)[O-])c1	815002494	DMSNTJZJUHYRMG-UHFFFAOYSA-N	314.305	1.540	50	20	DDGD	
Cn1nncc1NNC(=O)CCCC[C@@H]1CCSS1	816769013	QOKDDIUDFXYESR-SECBINFHSA-N	301.441	1.972	50	20	DDGD	
O=C(NNc1ncncc1F)c1cnn(-c2ccc(F)cc2)n1	817077313	KBIDRAPVEGMHBY-UHFFFAOYSA-N	317.259	1.092	50	20	DDGD	
COc1cccc(CCC(=O)NNc2ncncc2F)c1F	817078665	OMPAHVBFUJMFHM-UHFFFAOYSA-N	308.288	1.839	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCC[C@H](n2ccnn2)C1	819905297	YUYSEGFZBQUEIW-NSHDSACASA-N	306.819	1.264	50	20	DDGD	
COc1ncc(C=NNC(=O)c2cncc(NC(C)=O)c2)s1	812227653	LYDHXPMKUWIQQQ-UHFFFAOYSA-N	319.346	1.269	50	20	DDGD	
CC(=NNC(=O)Cc1cn2ccccc2n1)C1CCN(C)CC1	814863773	BRMKTRMTLLUZOO-UHFFFAOYSA-N	313.405	1.711	50	20	DDGD	
Cc1nn(Cc2ccccc2)c(C)c1C=NNC(=O)CN(C)C	727649317	GRJCWMHPWLQJOE-UHFFFAOYSA-N	313.405	1.560	50	20	DDGD	
N#CC1(C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCCCC1	826379887	GCXHVZQHBYICAR-UHFFFAOYSA-N	311.349	1.784	50	20	DDGD	
O=C(CCCNC(=O)C1CC1)NNc1ccc(F)c(F)c1F	727760117	YDYJDXPAVSPSMS-UHFFFAOYSA-N	315.295	1.853	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(OCCC)cc1OC	822800153	RKUGSKJTZSJTSH-UHFFFAOYSA-N	309.366	1.838	50	20	DDGD	
O=C(NNc1ncccn1)[C@@H]1CCCC[C@@H]1N1CCCC1=O	820935815	XJFZGXXUVYROPD-NEPJUHHUSA-N	303.366	1.101	50	20	DDGD	
Cc1nsc(NC2CC2)c1C(=O)NNC(=O)CC(F)(F)F	825505603	NLNXHWHEHWJCOC-UHFFFAOYSA-N	322.312	1.739	50	20	DDGD	
COC1(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CCCCC1	826645242	UAPDAWOQCWHKCG-NWDGAFQWSA-N	313.398	1.091	50	20	DDGD	
O=C(NNc1c(F)cccc1F)c1ccc(-c2nn[nH]n2)[nH]1	826445315	OZDBNSMGLJCIAZ-UHFFFAOYSA-N	305.248	1.230	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12	823179968	BQXHJTUANOJLIW-GRYCIOLGSA-N	304.346	1.355	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(C(=O)NC)ccc1Cl	494361293	APRYQLYWYJMQES-UHFFFAOYSA-N	314.729	1.482	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](c2cccnc2)C1	829519044	RLTJHWQONKFRTH-UKRRQHHQSA-N	318.421	1.453	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@](C)(O)C2CC2)cc(C#N)n1C	490664258	PCUMOEFMPKUCJB-SDTVSMOJSA-N	312.373	1.389	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1cc2n(n1)CCCC2	823765660	TYAVVPZDHZFVBF-UHFFFAOYSA-N	316.336	1.362	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(Cl)nc(C(F)(F)F)c1	823869847	QMCGPWVMJJPUAQ-UHFFFAOYSA-N	311.691	1.713	50	20	DDGD	
C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CC=C(C#N)CC1	824045920	PIGFKASYNFRJNI-LLVKDONJSA-N	323.360	1.349	50	20	DDGD	
CC(C)(C)OC(=O)[C@]1(C(=O)NNc2ncccn2)CC1(C)C	820935361	RDUICEKFRRQJPR-OAHLLOKOSA-N	306.366	1.678	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H](C(C)C)N1Cc2ccccc2C1=O	905125914	LKKAFILBNWWFKK-CQSZACIVSA-N	317.389	1.470	50	20	DDGD	
COc1ccc([C@H](C)N(C)CC(=O)NNC(=O)C(C)C)cc1	827287999	RWZDUUPVYDGWJJ-LBPRGKRZSA-N	307.394	1.491	50	20	DDGD	
COC(=O)NCC(=O)NNC(=O)c1c(Cl)cccc1Cl	491085223	CWSMZHHHUHCUDR-UHFFFAOYSA-N	320.132	1.110	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NNc2ccnc(F)c2)C1	496341589	IZUAQHVDSUVOGA-JGZJWPJOSA-N	324.356	1.967	50	20	DDGD	
C[C@@H](CCc1cccn1C)NC(=O)/C(C#N)=C/c1cnn(C)c1	491051797	UEJRETPIIQFNLB-NCPSJORJSA-N	311.389	1.803	50	20	DDGD	
O=C(COc1ccc(B(O)O)cc1)NCCCC1CCCCC1	584910301	YRWQQSFMNNJGPF-UHFFFAOYSA-N	319.210	1.222	50	20	DDGD	
CN1CCC[C@H](CN(C)C(=O)[C@]2(C)C[C@H]2Br)C1	906711163	QIGWRBHMEOSUPD-DMDPSCGWSA-N	303.244	1.960	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)NCC(C)(F)F)cc1	836479009	DVRXRCAFWQKRDE-UHFFFAOYSA-N	315.324	1.744	50	20	DDGD	
CCO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)Cc1ccccc1C	836666615	SLAPDZDLMXCLTN-HUUCEWRRSA-N	319.405	1.826	50	20	DDGD	
Cc1cnn(CC(=O)NNC(=O)c2cccc3ncccc23)c1	730225349	BLOKRVHJAPBSLS-UHFFFAOYSA-N	309.329	1.201	50	20	DDGD	
CCn1ncc(/C=C(\C#N)C(=O)N(CC(F)(F)F)C2CC2)n1	901474595	RMDVRIMTMBVSMT-WEVVVXLNSA-N	313.283	1.758	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)COc2ccc(F)cc2)CCCCO1	837309862	GQTYDPGNOIMTHI-OAHLLOKOSA-N	310.325	1.311	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C(C)c1cnccn1	734744395	AZPJYQAECMKFMF-UHFFFAOYSA-N	300.318	1.404	50	20	DDGD	
CCN(CC)C[C@H](C)NC(=O)NNc1ncc(F)cc1F	837906747	IQDRNRRHEGDHNP-VIFPVBQESA-N	301.341	1.716	50	20	DDGD	
C[C@@H]1CCCN(C(=O)COC(=O)/C(C#N)=C/c2cnn(C)c2)C1	837970131	YJQGLAPFSZBCAI-CHJAJTDHSA-N	316.361	1.129	50	20	DDGD	
Cc1nccn1CCNC(=O)NNc1cc(F)c(F)cc1F	734665963	VDGNMFTVPSSMSF-UHFFFAOYSA-N	313.283	1.935	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1NC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	838760597	AUUBGWLXPUEZFA-DDTOSNHZSA-N	323.368	1.968	50	20	DDGD	
COC[C@@]1(C)CCN(C(=O)NNC(=O)c2ccc(C#N)cc2)C1	836264902	KCCNHFMZBSXOGD-INIZCTEOSA-N	316.361	1.271	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCC1CC2(C1)OCCO2	832191961	BGZPPXXQTQDVLZ-VGOFMYFVSA-N	314.341	1.568	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1c(F)cccc1[N+](=O)[O-]	900001836	XOYAFHUTKZJNFH-UHFFFAOYSA-N	314.342	1.641	50	20	DDGD	
CC(=O)NCCCCCC(=O)NNc1ccccc1C(=O)O	833397218	IUFONNGJNSCNAD-UHFFFAOYSA-N	307.350	1.524	50	20	DDGD	
C[C@H](CNCc1ccc(B(O)O)cc1)Oc1ccccc1F	585026658	JGBZMJPNNYWXEE-GFCCVEGCSA-N	303.142	1.063	50	20	DDGD	
Cn1cc(CCC=NNC(=O)Cc2nc3ccccc3n2C)cn1	834926540	PYOAESIDYOQVKH-UHFFFAOYSA-N	324.388	1.584	50	20	DDGD	
CC(=O)NNC(=O)COc1ccc2oc3c(c2c1)CCCC3	912694037	OKRUGSRMGYODJU-UHFFFAOYSA-N	302.330	1.858	50	20	DDGD	
Cc1cccc(CN(CCN(C)C)S(=O)(=O)CCl)c1	830388418	PTPDAKZJJDYZJD-UHFFFAOYSA-N	304.843	1.885	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](C)c2nc(C)cs2)nc1	831290599	KJVSMKXEFHPSBN-VIFPVBQESA-N	320.374	1.880	50	20	DDGD	
C[C@H]1CC[C@H](C)N1CC(=O)NNC(=O)c1cccc(C#N)c1	746217802	BNXDDMUUQUWVFV-RYUDHWBXSA-N	300.362	1.192	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2)c1ccccc1	837411813	YRQMTMOZRJEDDP-MHEUCROKSA-N	314.385	1.943	50	20	DDGD	
Cc1noc(C)c1C=NNC(=O)c1cc([N+](=O)[O-])ccc1O	741771300	NACDBNACTVXAQL-UHFFFAOYSA-N	304.262	1.669	50	20	DDGD	
CO[C@@H]1CCCCC1=NNC(=O)[C@H]1COc2ccccc2O1	915941408	NCFQSRVRLCHKJJ-IUODEOHRSA-N	304.346	1.888	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)n1	916124394	VAROAOORWFRXLQ-AVGNSLFASA-N	321.450	1.184	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@H]2CCC[C@@H](N)C2)cc1	841981002	OESNHKNUFXXXON-PWSUYJOCSA-N	321.381	1.301	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@H]2CCc3cncn3C2)o1	844132352	DMWPIEOSAZXEID-JTQLQIEISA-N	314.349	1.572	50	20	DDGD	
O=C(NNc1cc(O)nc2ncccc12)[C@@H]1CC1(Cl)Cl	913995243	KBQGDSCLLWZPDA-ZETCQYMHSA-N	313.144	1.972	50	20	DDGD	
CSCC1(CC(=O)NNc2nc(O)c3cnn(C)c3n2)CC1	845514561	UNDWVRZTGTVXHE-UHFFFAOYSA-N	322.394	1.045	50	20	DDGD	
O=C(C[C@]1(O)CCCNC1)NNc1c(Cl)cccc1Cl	912236233	HVQYASXRKHZPQM-CYBMUJFWSA-N	318.204	1.941	50	20	DDGD	
COc1ccc(NCC(=O)NN=Cc2cccc(O)c2O)cc1	915916586	WVJUSZPYVICSMS-UHFFFAOYSA-N	315.329	1.669	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)/C=C/c1ccc(Cl)cc1	843642614	XPHOKYUQMNEEJQ-YJNCBDGFSA-N	308.765	1.926	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2nccnc2OC)CCCC1	843909973	NDOIGUATFYXNMV-UHFFFAOYSA-N	308.338	1.052	50	20	DDGD	
CCc1nncn1CCNC(=O)NNc1cccc([N+](=O)[O-])c1	745911400	HDZLNHBZIRDOKL-UHFFFAOYSA-N	319.325	1.075	50	20	DDGD	
NCC[C@H](NC(=O)NNc1c(F)cccc1F)C(F)(F)F	841332944	KBFCGOFGTMFCPV-QMMMGPOBSA-N	312.242	1.871	50	20	DDGD	
Cc1cccc(Cl)c1S(=O)(=O)NNC(=O)NCC1CC1	840912543	RKJHJIRRFUNYDJ-UHFFFAOYSA-N	317.798	1.551	50	20	DDGD	
O=C(NCC1CC1)NNS(=O)(=O)c1cccc2c1CCCC2	748641926	VTFCULVAAYKPML-UHFFFAOYSA-N	323.418	1.468	50	20	DDGD	
NCCC[C@H](NC(=O)NNc1ncccn1)c1ccccc1	841998702	YAKOZGJGDOVWRY-ZDUSSCGKSA-N	300.366	1.583	50	20	DDGD	
C#CCOc1ccc(C(C)=NNC(=O)[C@@H](C)OCCOC)cc1	748260755	XPBWTZKOIQACFZ-CQSZACIVSA-N	318.373	1.590	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)C(C)(C)C)NC(=O)OC(C)(C)C	742544421	SGTIQXKRCGIKFE-VIFPVBQESA-N	301.387	1.483	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@H]1CCC[C@H](N)C1	841983820	XMZUZWJIUJBLFH-KBPBESRZSA-N	304.394	1.138	50	20	DDGD	
O=C(Cc1ccc(-n2cccc2)cc1)NNC(=O)c1cccnc1	914748437	CYKQRASYVGJUDB-UHFFFAOYSA-N	320.352	1.876	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NC[C@@H]1CCCC[C@@H]1C	748624742	JVGUHNCGAVKGRP-XQQFMLRXSA-N	315.414	1.195	50	20	DDGD	
Cn1cc(CC(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)cn1	746894464	LOJDLAMLBJMICI-UHFFFAOYSA-N	323.278	1.996	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)[C@@H]1CC(=O)N(C2CC2)C1	746703812	GMDFHEXCWCVZSU-SSDOTTSWSA-N	313.279	1.558	50	20	DDGD	
CN(CC(=O)NNC(=O)C(C)(C)C)[C@H]1CCc2ccccc2C1	744403851	XLOLQMJTVOMMDN-HNNXBMFYSA-N	317.433	1.669	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)[C@@H]1C[C@H]1C1CCC1	845460349	QZURSYQPACRTNE-NWDGAFQWSA-N	304.346	1.355	50	20	DDGD	
CO[C@@H](CC(=O)NNC(=O)NC1CCCCC1)C(F)(F)F	845078348	AIHQJCPITXRPPB-VIFPVBQESA-N	311.304	1.617	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cc1ccc2c(c1)CCCC2	843646315	KCYRUXCHMUEZGM-BLLLJJGKSA-N	316.401	1.680	50	20	DDGD	
CC(=O)Nc1ccc(O)c(C(C)=NNC(=O)[C@H]2CCO[C@H]2C)c1	842554635	KGAHEAOYLZFUCC-GWCFXTLKSA-N	319.361	1.616	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)C1CCCC1)C(=O)OC(C)(C)C	847427369	SQKBFAKQUSABQS-SNVBAGLBSA-N	313.398	1.485	50	20	DDGD	
C[C@@H](Cc1ccncc1)NC(=O)NNC(=O)c1ccc(C#N)cc1	749621191	QYRJNXZRYMNGCL-LBPRGKRZSA-N	323.356	1.528	50	20	DDGD	
CC(C)[C@@]1(C)C[C@H]1C(=O)NNc1ccccc1S(N)(=O)=O	842262059	PXQVNHFOLOXNTF-IINYFYTJSA-N	311.407	1.459	50	20	DDGD	
CCC1(C(=O)NNC(=O)c2nnc(O)c3ccccc23)CC1	749330658	QUGUBQMGGVYKAO-UHFFFAOYSA-N	300.318	1.287	50	20	DDGD	
NC1(CNC(=O)NNC(=O)c2cc3ccccc3o2)CCC1	841966398	BALJMEJFIOZJSC-UHFFFAOYSA-N	302.334	1.258	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)[C@H]1C[C@@]12CCOC2	848322135	QWFSVYFFMJJIEA-LDYMZIIASA-N	313.155	1.109	50	20	DDGD	
NC[C@H]1CC[C@@H](NC(=O)NNC(=O)c2cc3ccccc3o2)C1	842011389	UEOURBOPTOJKQJ-CMPLNLGQSA-N	316.361	1.504	50	20	DDGD	
CC(C)C1(O)CN(C(=O)NC[C@]2(C)C[C@@H]2Br)C1	856959113	QXIQDMNKPKOHMX-ONGXEEELSA-N	305.216	1.572	50	20	DDGD	
Cc1csc(C=NNC(=O)CNC(=O)c2cccs2)n1	755679469	PGNGJDOJNKUPEO-UHFFFAOYSA-N	308.388	1.393	50	20	DDGD	
CC1=NO[C@H](C(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)C1	854240575	MOJMRAAMECNQIK-KWQFWETISA-N	321.402	1.799	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNc1ccc([N+](=O)[O-])cc1F	855621487	UZPCZHVRDVAFNJ-UHFFFAOYSA-N	314.273	1.312	50	20	DDGD	
Cc1ccncc1/C=C\C(=O)NNC(=S)NCC1CCC1	855089433	QTCQWTPNVZVUSY-WAYWQWQTSA-N	304.419	1.699	50	20	DDGD	
CC1CC(CNC(=O)NNC(=O)Cc2cn3ccccc3n2)C1	856907093	ZQVLNWHDNPVIGM-UHFFFAOYSA-N	315.377	1.253	50	20	DDGD	
Cc1sc(=O)n(CC(=O)NNc2ncc(Cl)cn2)c1C	857355404	COZKLCQOZZJCRC-UHFFFAOYSA-N	313.770	1.113	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)Nc1cnc(C2CC2)nc1	756370700	JDQMNTFBSJJYFV-UHFFFAOYSA-N	313.317	1.526	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NNC(=O)NC(C)C)C1	751382478	PLLJCVWARDADMG-VXGBXAGGSA-N	312.414	1.010	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)NC2CCCCC2)cc1O	854192453	MGYATAVNCPUTTA-UHFFFAOYSA-N	319.361	1.872	50	20	DDGD	
CCCC[C@@](C)(F)C(=O)NNc1ccccc1S(N)(=O)=O	857193210	OTQLVZWGNITESC-CYBMUJFWSA-N	317.386	1.696	50	20	DDGD	
COC1(C(C)=NNC(=O)COc2ccc(C#N)cc2)CCC1	853265593	ZPYPFRVJNGLBDH-UHFFFAOYSA-N	301.346	1.998	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@H](COC)OC)cc1C	854575401	VPRUYDQOSJAASH-ZDUSSCGKSA-N	310.350	1.276	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1F)NOC[C@@H]1CCOC1	922151041	WPDCNLKKDXWUTN-SSDOTTSWSA-N	305.256	1.698	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H](C)CC2(C)OCCO2)nn1	758853556	LNEIMVZNZXFFGA-JTQLQIEISA-N	309.370	1.200	50	20	DDGD	
Cn1cnc2c(C(=O)NC[C@]3(C)C[C@@H]3Br)ccnc21	857388494	SWAGJCKGQJPWAF-ZANVPECISA-N	323.194	1.872	50	20	DDGD	
Cc1cc(NNC(=O)N[C@@H]2CCCN(C)C2=O)ccc1Cl	921313751	NNENNOLFCSFDEV-GFCCVEGCSA-N	310.785	1.895	50	20	DDGD	
NC(=O)[C@H]1CSCCN1C[C@H](CBr)C1CC1	859222004	XYYFNYCJCMHPDL-VHSXEESVSA-N	307.257	1.310	50	20	DDGD	
C[C@@H](C(=O)NNC(=S)N[C@H](C)C1CC1)N1CCCCCC1	855101105	PQSLNAWYYQHGCU-NEPJUHHUSA-N	312.483	1.545	50	20	DDGD	
CCNc1nc(C(=O)NNC(=S)N[C@@H](C)C2CC2)cs1	855094672	DGOWUKCVCKIPAW-ZETCQYMHSA-N	313.452	1.482	50	20	DDGD	
O=C(NN=Cc1ccc(OC[C@@H]2CCCO2)cc1)c1cc[nH]n1	853392205	FRQBBCWAHVABIX-AWEZNQCLSA-N	314.345	1.731	50	20	DDGD	
CO[C@H](CNC(=O)NNc1ccc(Cl)nn1)C1CCCC1	852654451	JIJNHMDWDIYFPF-SNVBAGLBSA-N	313.789	1.961	50	20	DDGD	
CCOC(=O)[C@@H](N)C(=O)NNc1ccccc1C(F)(F)F	852813779	PCQWYCZTTNTJKT-VIFPVBQESA-N	305.256	1.039	50	20	DDGD	
Cc1ccc(NNC(=O)NCCN2CCO[C@@H](C)C2)cc1F	853607855	XEPAOJVHYZYVKT-LBPRGKRZSA-N	310.373	1.481	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccnn1CCc1ccccc1	857252825	DXTLWHXENCGMCV-UHFFFAOYSA-N	302.334	1.469	50	20	DDGD	
O=C(CN1CC[C@@H]2C[C@H]2C1)NNC(=O)c1cccc(Cl)c1	852636313	RNZRFMACVCEBGM-PWSUYJOCSA-N	307.781	1.443	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@@H](O)C2CC2)cc1	854189114	NISCYEAWPJVQSD-LBPRGKRZSA-N	309.391	1.174	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ncc2ccccc2c1O	855005145	CFBYDPBUYOFCKM-ONGXEEELSA-N	315.329	1.126	50	20	DDGD	
Cc1ccn(CC(=O)NC[C@@]2(C)C[C@@H]2Br)c(=O)c1	857392155	YZPQZENQTXZYEY-GXFFZTMASA-N	313.195	1.446	50	20	DDGD	
CCCCn1ncc(NC(=O)NNC(=O)c2cc(C)[nH]n2)c1C	757748230	DATHGBLZAZGALC-UHFFFAOYSA-N	319.369	1.490	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(C(C)C)nc2onc(C)c12	854927009	SWIDSZWYGJCESM-UHFFFAOYSA-N	321.406	1.736	50	20	DDGD	
Cn1ccc(NC(=O)NNC(=O)c2ccc(Cl)cc2O)n1	756294170	NXZGPPDJBKFBOQ-UHFFFAOYSA-N	309.713	1.246	50	20	DDGD	
COCCN(C)NC(=O)c1[nH]c2ccccc2c1CC(=O)OC	854412510	JDSJVRFKROSSKK-UHFFFAOYSA-N	319.361	1.106	50	20	DDGD	
C[C@@H](CN(C)C(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CCCCC1	858701131	HYMVQHULVCVEKB-WCQYABFASA-N	324.425	1.154	50	20	DDGD	
CC(C)[C@H](NC=O)C(=O)NNc1cc(Cl)nc(Cl)c1	862042087	KNUJSNCHVXUWBQ-JTQLQIEISA-N	305.165	1.602	50	20	DDGD	
O=[N+]([O-])c1ccc(S(=O)(=O)NCC(Cl)Cl)c(F)c1	867471707	QEIGJKUNTQZTMX-UHFFFAOYSA-N	317.125	1.816	50	20	DDGD	
Cc1cc(=NNC(=O)c2ccc(CN3CCCC3=O)cc2)cc[nH]1	862509017	CQMBTRLDICBDDK-UHFFFAOYSA-N	324.384	1.691	50	20	DDGD	
CCCc1cc(O)nc(S[C@@H](C)C(=O)NNC(=O)CC)n1	767032718	HMDYAAXIGYLEOU-QMMMGPOBSA-N	312.395	1.173	50	20	DDGD	
O=C(Cn1nc(C(F)F)cc1C(F)F)NNC(=O)C1CCC1	932516588	JOFDHWPRYVCAFR-UHFFFAOYSA-N	322.262	1.706	50	20	DDGD	
Cc1csc(C(=O)NNS(=O)(=O)CCCCCl)c1	863414463	XESJCNQXSXXLPP-UHFFFAOYSA-N	310.828	1.640	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCOCC2)c(F)c1)c1cn[nH]c1	863154855	OGQKOLZYZRPSTN-UHFFFAOYSA-N	317.324	1.149	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cc(Cl)ccc1SC	763440403	CSCOKAFVXQOEFO-UHFFFAOYSA-N	315.782	1.558	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCCOc1ccc(Cl)cn1	760833385	YBMWLBLXNJLRLC-UHFFFAOYSA-N	300.746	1.100	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccc(C#N)cc2)c1Br	760408279	ZZJSKFHCMXHYKP-UHFFFAOYSA-N	320.150	1.811	50	20	DDGD	
CN(C)c1ccc2c(c1)N(C)C(=O)C2=NNC(=O)NCC1CC1	761800097	LIWKVUSXICGAHD-UHFFFAOYSA-N	315.377	1.142	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cnc2[nH]cnc2c1	863097574	OWXIIWDTPMGDSZ-UHFFFAOYSA-N	309.198	1.390	50	20	DDGD	
O=C1NCC[C@@]1(C(=O)NNc1ncccc1Cl)C1CCCC1	863874884	CZJQESGIAUSLQO-OAHLLOKOSA-N	322.796	1.875	50	20	DDGD	
O=C(COC1CCOCC1)NNCC(F)(F)C(F)(F)F	863095195	KEKKOOYJTGVVFR-UHFFFAOYSA-N	306.231	1.000	50	20	DDGD	
O=C(CCC1(O)CCC1)NNc1ccc(C(F)(F)F)nn1	866954441	UZSAQPQIPHJQEW-UHFFFAOYSA-N	304.272	1.634	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC(O)(C(F)F)CC1	867132637	HSMQLTFNVMACGX-UHFFFAOYSA-N	319.801	1.673	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCc2ccc(OC)cc2CC1	760924114	FDFCFZHXXRIGIG-GFCCVEGCSA-N	319.405	1.042	50	20	DDGD	
C[C@@H](NNC(=O)C[C@H]1OC(=O)c2ccccc21)C(F)(F)F	862304990	VOEXKBNXISKWJC-GMSGAONNSA-N	302.252	1.860	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2ccc(OCC3CC3)cc2)N1	863153119	NAFBSRMJZMISKY-AWEZNQCLSA-N	301.346	1.204	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cccc3c[nH]nc23)c1Cl	1116299939	NASMIUJWQAXMNL-UHFFFAOYSA-N	303.713	1.345	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2O)ns1	768204316	BILYNMCDIXSDKT-UHFFFAOYSA-N	311.750	1.885	50	20	DDGD	
CC(C)(NC(=O)Nc1ccccc1)C(=O)NNc1cccnn1	1116566533	CHTDQSDGMORPNR-UHFFFAOYSA-N	314.349	1.520	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NNC(=O)NCC1CC1	767325101	VDUNQGASGRVFOH-QMMMGPOBSA-N	306.204	1.536	50	20	DDGD	
CCOC(=O)Nc1ccc(NC(=O)NN(C)CCOC)cc1	878234119	SPDKXCFTYHAORR-UHFFFAOYSA-N	310.354	1.870	50	20	DDGD	
O=C(CCO)NN=C1CCc2c(F)ccc(Br)c21	1116388386	JYJSXBDDPPVDDM-UHFFFAOYSA-N	315.142	1.737	50	20	DDGD	
CNc1ccccc1C=NNC(=O)CNC(=O)OC(C)(C)C	872362962	KXOKRWXBSBGZGQ-UHFFFAOYSA-N	306.366	1.703	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CCOCCOC)c1	874949817	FLGFVIFWOYMCQN-UHFFFAOYSA-N	321.402	1.039	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NN=Cc1ccc(O)cc1	779807686	KEKCMBASIHZRCF-UHFFFAOYSA-N	307.350	1.757	50	20	DDGD	
CCCCO[C@@H]1CC(=NNC(=O)COCCOC)C1(C)C	872402198	WCPFEJDIQFHXMS-CYBMUJFWSA-N	300.399	1.737	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@@H]2CC[C@H](C)C2)cc1	776451446	DFCRXADJAHRRMJ-NWDGAFQWSA-N	305.378	1.691	50	20	DDGD	
C[C@@H](NCC(=O)NNC(=O)c1ccccc1)c1ccc(C#N)cc1	775160930	JRDMFFMWTLCFKQ-CYBMUJFWSA-N	322.368	1.670	50	20	DDGD	
N#CSCCCNC(=O)Cn1c(=O)cnc2ccccc21	773586555	HQQFOTKVGKWCNE-UHFFFAOYSA-N	302.359	1.117	50	20	DDGD	
COc1ccc2nc(NNC(=O)C(=O)NC3CC3)c(C)cc2c1	1116494839	LXZNBXPSHCGDAU-UHFFFAOYSA-N	314.345	1.274	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)C2(F)CCCC2)cc1	772793324	FDNLTFCZXWTQPV-UHFFFAOYSA-N	322.336	1.582	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)Cc2ccc(Cl)cc2)CCO1	776339892	VQEFUGWCSFLLKY-PWSUYJOCSA-N	310.781	1.845	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc(O)c(C)c1	779516484	YQWCHHYXNTXTEN-UHFFFAOYSA-N	300.314	1.784	50	20	DDGD	
O=C(CN(C[C@@H]1CCOC1)C1CC1)NNC(=O)c1cccs1	777555199	MJNNAHAORVQLSS-NSHDSACASA-N	323.418	1.010	50	20	DDGD	
C[C@H](c1ccccc1)[C@@H](CO)NC(=O)NNC(=O)C(C)(C)C	778660682	NQMXKINGHQBEAK-DGCLKSJQSA-N	307.394	1.528	50	20	DDGD	
COC[C@H](C)NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	883913451	VGQLTZJYLOKNAL-HXTFMFRQSA-N	309.410	1.568	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ncccc1OCCCC#N	786151271	STRTWALAZUCLMK-UHFFFAOYSA-N	305.338	1.573	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1C[C@@H]2CCNC[C@@H]2C1	1122302161	ROZHMUYFNPLKMG-HBNTYKKESA-N	303.244	1.864	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)[C@@H]1CN(Cc2ccccc2)CCO1	785463194	MYACVNXFPSANPQ-HNNXBMFYSA-N	319.405	1.150	50	20	DDGD	
O=C(CN1CCC[C@H]1/C=C/c1ccccc1)NNC(=O)C1CC1	780396913	CVRMOWBYNOFCDH-KXKDPZRNSA-N	313.401	1.722	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc(C#N)c2)c(O)c1O	780929854	FSPGCCXFTRNNOW-UHFFFAOYSA-N	311.297	1.353	50	20	DDGD	
CO[C@@H]1CCOC[C@H]1NC(=O)/C(C#N)=C/c1ccc(O)cc1	889190143	YKDIEADLKPMVTB-OFCDUSSDSA-N	302.330	1.219	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@@H]1C[C@H](C(=O)OC)c2ccccc21	887272861	XFODJYCWNJMPTF-UMZRIGFJSA-N	314.341	1.948	50	20	DDGD	
CCc1ccc(CC(=O)NNc2ccc(-n3ccnc3)nn2)cc1	788175638	XCYHSJFBYKOEGB-UHFFFAOYSA-N	322.372	1.911	50	20	DDGD	
CCn1nccc1NC(=O)C(=O)NNc1ccc(Cl)nc1	784869820	NMNGUJBDQRMRHY-UHFFFAOYSA-N	308.729	1.033	50	20	DDGD	
CS(=O)(=O)C[C@@H]1CCN(C(=O)C2CCC(Cl)CC2)C1	1123787195	DLKGITUCECIDSI-VOMCLLRMSA-N	307.843	1.677	50	20	DDGD	
Cc1csc(NC(=O)C(=O)NNc2ccc(Cl)nc2)n1	784874294	HKOVXBWZOLAGRH-UHFFFAOYSA-N	311.754	1.582	50	20	DDGD	
C[C@](C#N)(NC(=O)COC(=O)/C(C#N)=C/c1ccccc1)C1CC1	785350483	IGZIITIXIGJBJE-MOVXZBDNSA-N	323.352	1.945	50	20	DDGD	
Cc1ccc2nc(COC(=O)/C(C#N)=C\C3CC3)cc(=O)n2c1	786671635	VPLACBYQVJAVJN-MLPAPPSSSA-N	309.325	1.906	50	20	DDGD	
C[C@@H](Oc1ccc(C=O)cc1)C(=O)NNC(=S)NC(C)(C)C	899997428	SLPHKMZGEVOZKK-SNVBAGLBSA-N	323.418	1.560	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1c(F)ccc(O)c1O	789943966	KHQPCLCLRMJIEZ-UHFFFAOYSA-N	304.277	1.620	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1cc[n+]([O-])cc1	798383609	AAAXHQWDGIUSBI-UHFFFAOYSA-N	321.720	1.057	50	20	DDGD	
Cc1oc(C#N)cc1C(=O)NNC(=O)Cc1ccc(F)cc1	797795298	NHKDOKAGVRCSKG-UHFFFAOYSA-N	301.277	1.603	50	20	DDGD	
COc1cc(NNC(=O)c2c[nH]c(C(N)=O)c2)ccc1Cl	790179760	DXRGLAKCRYBVED-UHFFFAOYSA-N	308.725	1.533	50	20	DDGD	
CCCNC(=O)NNC(=O)c1nc(Br)ccc1F	792094260	QHNSYLUMKDPRRS-UHFFFAOYSA-N	319.134	1.337	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)CCCC1CCOCC1)C1CC1	799289725	KKYXQXKNQNAKMI-LLVKDONJSA-N	313.467	1.877	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)c2ccccn2)[nH]c1C	799464071	PTYZOMDCXPEAIM-UHFFFAOYSA-N	300.318	1.659	50	20	DDGD	
CCOC[C@H](NCC(=O)NNC(=O)c1cccc(C)c1)C(C)C	794602593	WUKAEWFZBADNNC-HNNXBMFYSA-N	321.421	1.407	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCC(=O)NC1CCCCC1	791015586	FKQBNETYEKTSAO-UHFFFAOYSA-N	319.409	1.855	50	20	DDGD	
Cc1cc[nH]c1C(=O)NNC(=O)c1cccc(OC(F)F)c1	797857325	IPHOFLRFMQIFCY-UHFFFAOYSA-N	309.272	1.999	50	20	DDGD	
COCC1(CNC(=O)NNC(=O)c2cccc(C#N)c2)CCC1	799916813	PLNHMUJNCICRPJ-UHFFFAOYSA-N	316.361	1.319	50	20	DDGD	
C[C@H]1COCCC1=NNC(=O)c1cc(Br)c[nH]1	794489235	ZEJALAWEVGJCOV-ZETCQYMHSA-N	300.156	1.919	50	20	DDGD	
Cc1ccc(O)c2c1[C@@H](C)CC2=NNC(=O)C(=O)N1CCCC1	1318220622	CXCULSFNOGXBBU-NSHDSACASA-N	315.373	1.651	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H](C)Cc1c(C)n[nH]c1C	1318849043	MZYOLERKHIHBQY-NSHDSACASA-N	314.389	1.975	50	20	DDGD	
CC(C)(C)NCC(=O)NNC(=O)Cn1ccc2ccccc21	1321585152	IPPOURCNFJCTNK-UHFFFAOYSA-N	302.378	1.177	50	20	DDGD	
CO[C@H]1C[C@H](NS(=O)(=O)c2ccc(CCCl)cc2)C1	706538840	KCFFUVVAVWBTDR-HAQNSBGRSA-N	303.811	1.924	50	20	DDGD	
COCCNC(=O)c1ccc(NC(=O)CCl)cc1Cl	1324701308	GJNRISGGWJOWOS-UHFFFAOYSA-N	305.161	1.894	50	20	DDGD	
Cc1coc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1C	1322037366	RAJUMBOKEQIBAW-CYBMUJFWSA-N	316.313	1.497	50	20	DDGD	
C[C@@]1(CNC(=O)[C@@H]2C[C@H]2C2CCNCC2)C[C@H]1Br	1331052164	ZZBDLGCNEPXCPM-SFTQSGBHSA-N	315.255	1.912	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2[nH]c(C)cc2C)c1	1332889847	YKVVONQVNFAIRS-UHFFFAOYSA-N	317.345	1.724	50	20	DDGD	
C[C@H](C(=O)NNC(=S)NCCc1cccs1)n1cccc1	1330136024	OYPXNWASEXYXJT-LLVKDONJSA-N	322.459	1.849	50	20	DDGD	
COCCOC1CCC(C(=O)NNC(=S)NC(C)C)CC1	1344366707	ORYOSICFFPMEEH-UHFFFAOYSA-N	317.455	1.112	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCC[C@@H]2OC)c1	1347278689	JJDKKVSLMQPOQL-KGLIPLIRSA-N	317.414	1.801	50	20	DDGD	
CC1CC(NC(=O)C(=O)NC[C@]2(C)C[C@@H]2Br)C1	1351173098	BKUQUUJXIPQJCJ-RMVUORRVSA-N	303.200	1.191	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2ccc(C(=O)O)c(F)c2)C1	1601143852	BTWYCAIVCCEAQD-RKDXNWHRSA-N	323.324	1.259	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C(=O)O)C12CC3CC(CC(C3)C1)C2	1607455899	ZCMNCGYEXDBUOD-ITOAGHBLSA-N	309.366	1.006	50	20	DDGD	
N[C@@H]1CCC[C@H](NC(=O)NNc2ccc(C(=O)O)c(F)c2)C1	1608252212	FDHCUAOQVIAEDX-BDAKNGLRSA-N	310.329	1.420	50	20	DDGD	
O=C(NNC(=O)C12CCC(C(=O)O)(CC1)CC2)c1ccccc1	1601553878	YEBJKTCDPWOUEO-UHFFFAOYSA-N	316.357	1.873	50	20	DDGD	
C[C@H](CBr)CN1CCN(C(C)(C)C(=O)O)CC1	1604060887	PKUKVRJQARAEOP-SNVBAGLBSA-N	307.232	1.498	50	20	DDGD	
O=C(O)C1(NS(=O)(=O)c2ccc(CCCl)cc2)CCC1	1601723733	WEWCXTPFBIEHTO-UHFFFAOYSA-N	317.794	1.754	50	20	DDGD	
Cn1ccc(CCNC(=O)NNc2ccc(F)c(C(=O)O)c2)n1	1600976603	SVSSKKALIJOKOR-UHFFFAOYSA-N	321.312	1.126	50	20	DDGD	
Cc1cc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)co1	1609395453	HYTYIUOLMXBRJB-UHFFFAOYSA-N	319.712	1.573	50	20	DDGD	
CO[C@@H](C(=O)O)C(=O)NNc1ccc(Br)cc1F	1604435043	PHUVHQYGQPWZAM-MRVPVSSYSA-N	321.102	1.131	50	20	DDGD	
Cc1cc(Br)c(C=NNC(=O)NCC(=O)O)s1	1610432948	PJUKFULUKZIEJL-UHFFFAOYSA-N	320.168	1.537	50	20	DDGD	
Cc1cc(C=NNC(=O)COc2ccccc2O)[nH]c1C(=O)O	1610457498	IPBRRLLUYXORCN-UHFFFAOYSA-N	317.301	1.256	50	20	DDGD	
Cc1cccc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)c1F	1549314333	KLTSJGUZUBSGNI-UONOGXRCSA-N	305.353	1.447	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@@H]1C=NNC(=O)c1ccncc1	1552447183	DSQCOFLEUIIEGP-KGLIPLIRSA-N	313.361	1.699	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2C[C@@H](F)CN2)c(C(F)(F)F)c1	1574034125	YGMOCWAVUFCRRL-RDDDGLTNSA-N	321.274	1.857	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H](N)c1ccc(F)cc1F	1575230949	LJNOCWOSOMQMSC-JTQLQIEISA-N	301.293	1.521	50	20	DDGD	
C[C@@H](C(=O)N(c1nc(CC(=O)O)cs1)N(C)C)C(C)(F)F	1589342695	QQTUXDWRJXRFSB-ZETCQYMHSA-N	321.349	1.871	50	20	DDGD	
O=C(c1cnco1)N1CC[C@H]2[C@@H]1CCN2C(=O)C(Cl)Cl	1847925856	ATRKCLFLLXCNHS-YUMQZZPRSA-N	318.160	1.294	50	20	DDGD	
C[C@@H](S)C(=O)N1CCCC12CN(C(=O)C(C)(C)CCl)C2	1846366344	JGADVNROZPUVAE-SNVBAGLBSA-N	318.870	1.773	50	20	DDGD	
CCOc1ccc(NNC(=O)c2cnc(C(=O)O)cn2)cc1	1592705443	OZSITJDGAYLSJA-UHFFFAOYSA-N	302.290	1.330	50	20	DDGD	
Cc1cc(F)ncc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1591993530	PGJRICBCNGZYPP-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
O=C(O)CCC(=O)NNc1ccc(OCC(F)(F)F)cc1	1594996696	JTNOOKYMCRGRNS-UHFFFAOYSA-N	306.240	1.936	50	20	DDGD	
O=C(O)[C@H](C(=O)NNc1nc(C(F)(F)F)cs1)C1CC1	1594836260	RRNDGPJTEFWRQF-LURJTMIESA-N	309.269	1.716	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1cnn(C(C)C)c1	1599376483	NCIIJRHCUWHCDQ-UHFFFAOYSA-N	318.333	1.928	50	20	DDGD	
COc1cc(C=NNC(=O)CC(F)(F)F)ccc1C(=O)O	1776036351	BBCVYJQKOGKGLA-UHFFFAOYSA-N	304.224	1.796	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1cc(C#N)ccc1C(=O)O	1776082175	BGVAOBGFTHSNOS-SKDRFNHKSA-N	301.302	1.132	50	20	DDGD	
CNC(=O)NN=Cc1ccc(OCc2ccc(C(=O)O)o2)cc1	1776038779	GPQJQCBWJRDEEY-UHFFFAOYSA-N	317.301	1.820	50	20	DDGD	
CC(C)(O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl	1796805861	BRGALCHZMKIKJY-DTHBNOIPSA-N	320.792	1.320	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc2c(c1)OCCCO2	14895340	KXONYYNJFFZRJV-UHFFFAOYSA-N	323.418	1.755	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CS[C@@H]2CCO[C@H]2C)cc1	163431548	VXPHKBGLYGVIMU-WCQYABFASA-N	308.403	1.667	50	20	DDGD	
Cc1nc2ccccc2n1CCC(=O)NNC(=O)c1ccncc1	163490593	QMUZWUCWERLQML-UHFFFAOYSA-N	323.356	1.591	50	20	DDGD	
CS[C@@H](C)CNC(=O)NNC(=O)c1ccc2ccccc2n1	163771412	NKDHYBPHYGIMCM-JTQLQIEISA-N	318.402	1.930	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccc(CN(CC)CC)o1)N(C)C	163838597	YKBULYVLOMUEHZ-ZDUSSCGKSA-N	324.425	1.223	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C1(O)CCSCC1)c1ccccc1	163960716	PNCMICDOLXEZIU-CYBMUJFWSA-N	322.430	1.586	50	20	DDGD	
COc1cc(F)cc(NNC(=O)Cn2cc([N+](=O)[O-])nc2C)c1	157823738	BLTXVSIQUYZYDC-UHFFFAOYSA-N	323.284	1.391	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@@]2(CCNC2)C1	159227038	ABYZHKPJRFQFBP-OAHLLOKOSA-N	310.829	1.564	50	20	DDGD	
O=S(=O)(NC[C@H]1COCCO1)c1ccc(CCCl)cc1	38062393	HLKAOXXUYCOCCJ-LBPRGKRZSA-N	319.810	1.162	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)CCl)CCO1	1324706472	JZZOZCHMGAVBQJ-VHSXEESVSA-N	306.790	1.366	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cn2nc(C)cc2C)cc1F	7285709	HQIJNTMZHHIZQA-UHFFFAOYSA-N	320.324	1.109	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1ccc[nH]1	7727268	WUVJSCPLOPKIRE-UHFFFAOYSA-N	315.354	1.791	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cc(F)cc([N+](=O)[O-])c1N	103197412	LYRUUZXUBUAUEI-UHFFFAOYSA-N	312.301	1.513	50	20	DDGD	
CCCCC(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	10529838	IDSONXXZYNEURR-UHFFFAOYSA-N	323.305	1.089	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)c(Cl)c1)C(=O)NC1CC1	8401385	NGTZTHPFWYFDCW-UHFFFAOYSA-N	316.144	1.033	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12	53919189	XBNGFHQCUTWLGF-UHFFFAOYSA-N	321.340	1.871	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)CCc1ccccc1O	106286767	NUCJBBNTVBTEPR-LBPRGKRZSA-N	306.362	1.453	50	20	DDGD	
C[C@H]1CCCN(C(C)(C)CNC(=O)NNc2ncccn2)C1	54805668	YERXGFYDBNQAEL-LBPRGKRZSA-N	306.414	1.613	50	20	DDGD	
CCOc1ccc(OCC(=O)NNc2cc(C)ncn2)cc1	172279157	FRAMORSIUQFLJH-UHFFFAOYSA-N	302.334	1.706	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNC(=O)c1ccc(C)s1	104866234	BCPZIIFLOTUZBK-UHFFFAOYSA-N	311.407	1.514	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)NNc1ccc(F)cc1F	113430082	WPTYJVAXKOSXAB-UHFFFAOYSA-N	306.334	1.479	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1	103199349	FFUZNNULQQQPMX-LLVKDONJSA-N	321.377	1.212	50	20	DDGD	
O=C(CSC[C@@H]1CCCCO1)NNc1ccc(Cl)nn1	118504093	UKXWVORDQLXOFQ-VIFPVBQESA-N	316.814	1.875	50	20	DDGD	
COc1cc(CC(=O)NNC(=O)c2ccc(C#N)cc2)ccc1C	61465222	RZPFYFMMXDDUTK-UHFFFAOYSA-N	323.352	1.879	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2ccnc(Cl)c2)c1	28663943	CVMCULSOPHRLKL-UHFFFAOYSA-N	318.764	1.876	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccc(O)c(Cl)c1	114777973	VXLCRGDLWSMOEQ-UHFFFAOYSA-N	311.647	1.552	50	20	DDGD	
C[S@@](=O)c1ccc(CNC(=O)NNc2cccnn2)cc1	175702460	HQGNDZXYBZRBNE-OAQYLSRUSA-N	305.363	1.040	50	20	DDGD	
COc1ccc(OCCCC(=O)NNC(=O)NC(C)C)cc1	63270554	KVSBRGOQHKFQGX-UHFFFAOYSA-N	309.366	1.593	50	20	DDGD	
CCC[C@H](NNC(=O)COc1cccc(C)c1)C(=O)OCC	173835536	DPDJPXFUWREFEE-AWEZNQCLSA-N	308.378	1.726	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CC[C@H]2CC[C@@H](C)O2)c1	174919725	PYOGRAJXNFAHNF-ZIAGYGMSSA-N	320.389	1.869	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)CSC(F)(F)F	61476120	FXYRKZFYSCLSKE-UHFFFAOYSA-N	322.308	1.856	50	20	DDGD	
O=C(/C=C/c1ccc(O)cc1)NNC(=O)c1ccc(Cl)nc1	122667882	SJFSGPFHXHGXTE-FPYGCLRLSA-N	317.732	1.915	50	20	DDGD	
N#Cc1cc(NC(=O)NNC(=O)Cc2ccncc2)ccc1F	184876934	IFRDVTKTDVOTRL-UHFFFAOYSA-N	313.292	1.488	50	20	DDGD	
Cc1ccc2cccc(C(=O)NNC(=O)Cc3cccnc3)c2n1	78111410	MGCPXYHCJPFBKI-UHFFFAOYSA-N	320.352	1.942	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@H]1CCc2cn[nH]c2C1	79287147	MMAKMJSHSNDVBT-NSHDSACASA-N	316.336	1.044	50	20	DDGD	
CCC[C@@H](C)N1C[C@@H](C(=O)NNc2ncc(F)cn2)CC1=O	122607397	WZZFVAMSQQWBCI-ZJUUUORDSA-N	309.345	1.096	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2nc3c(s2)COCC3)o1	185623425	PESQMCDTSSDIML-UHFFFAOYSA-N	322.346	1.584	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cccc(NC(=O)C2CC2)c1	77219079	MMKYPOXWSJWZBQ-UHFFFAOYSA-N	303.362	1.842	50	20	DDGD	
COc1cccc(NNC(=O)NCCCCn2ccnc2C)n1	181349092	LHVSVTPAMRCIOU-UHFFFAOYSA-N	318.381	1.702	50	20	DDGD	
O=C(NNc1ncc(F)cn1)C1=NO[C@H](c2ccccc2)C1	123243631	CKSKZYGPIKRLDD-LBPRGKRZSA-N	301.281	1.576	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1cnn(CC2CC2)c1	186295957	BANKZWUFRKTRNM-UHFFFAOYSA-N	314.349	1.084	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CCO)ccc1C(F)(F)F	125236086	UFVXYDPJTUMPOU-UHFFFAOYSA-N	305.256	1.549	50	20	DDGD	
O=C(NNc1c(F)cccc1Cl)N[C@@H]1CCS(=O)(=O)C1	184750633	XQPCLRIKUYDINX-SSDOTTSWSA-N	321.761	1.292	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)CSCC(N)=O	181288781	MTQPTMISLUOWHC-UHFFFAOYSA-N	304.375	1.205	50	20	DDGD	
CN1C(=O)CCc2cc(C(=O)NNc3ccnc(F)c3)ccc21	182527670	WPZHEFLQYRXJTK-UHFFFAOYSA-N	314.320	1.887	50	20	DDGD	
C[C@H](SCC(=O)NNC(=O)c1ccc(Cl)cc1)[C@@H](C)O	79060151	OJAHSJCWLJRKPD-BDAKNGLRSA-N	316.810	1.604	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C(=O)Nc2cc(C)on2)c1	130803209	QKWSHPYRTNINIV-UHFFFAOYSA-N	308.269	1.213	50	20	DDGD	
O=C(NNC(=O)C1CCC(O)CC1)c1ccc2ccccc2n1	194001828	FFQJRMPWNBHVTM-UHFFFAOYSA-N	313.357	1.547	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)CCc2ccccc2)cn1	132500337	AQNVFIFFYMBYNG-UHFFFAOYSA-N	312.373	1.541	50	20	DDGD	
Cc1ccc(C(=O)NNc2nc3ccccc3c(=O)[nH]2)c(O)c1	137165280	NTVYFMDAUCEFIL-UHFFFAOYSA-N	310.313	1.694	50	20	DDGD	
O=C(NNc1cnccn1)c1ccc(-c2nnc(S)o2)cc1	133319646	BXRJOSVLWNAIJK-UHFFFAOYSA-N	314.330	1.572	50	20	DDGD	
CCc1ccc(OCC(=O)NNC(=O)c2ccc(C)o2)cc1	192767132	SKJYVTZGBFUVIA-UHFFFAOYSA-N	302.330	1.990	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(F)cc1Br	48452959	OCQZJVQUULWWDW-UHFFFAOYSA-N	306.091	1.981	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cn1)C1(O)CCSCC1	131703472	UMCOOPFBYHGMLG-UHFFFAOYSA-N	321.324	1.802	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2CC(c3cccnc3)=NO2)n1	191686862	LWXBOWGCWIXOGY-ZDUSSCGKSA-N	312.333	1.125	50	20	DDGD	
O=C(NCC1CC1)C(=O)NNc1c(Cl)cccc1Cl	191916227	VPCPEHNGIGCSHN-UHFFFAOYSA-N	302.161	1.963	50	20	DDGD	
CCOC(=O)NNC(=O)c1nnn(Cc2ccc(F)cc2)c1C	195312661	LXQOCSOLBKJRBX-UHFFFAOYSA-N	321.312	1.165	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C[C@H](C)C1CC1	141492471	JXHXULVVRWOVIM-NSHDSACASA-N	306.362	1.658	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)C3(c4ccccc4)CC3)nc21	269289592	DSIXVWVJGWWIGC-UHFFFAOYSA-N	324.344	1.244	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1ccc([N+](=O)[O-])cc1	269776469	DMXVLVAFKMJTJY-UHFFFAOYSA-N	310.310	1.564	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@@H](C)C(C)(C)C)c1	265216486	VWWXYZGCDWBWKA-LLVKDONJSA-N	307.394	1.937	50	20	DDGD	
Cc1cc(C)cc(C2(C(=O)NNC(=O)c3cc(C)n[nH]3)CC2)c1	269062940	QQSUMOVQBJGXIN-UHFFFAOYSA-N	312.373	1.828	50	20	DDGD	
CC(C)(C)c1nc(C(=O)NNC(=O)N2CCOCC2)cs1	263797033	JTNDOGJTIQTOHJ-UHFFFAOYSA-N	312.395	1.127	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccccc1Cn1cncn1	273486074	MNXKIJNYHXYYFS-NSHDSACASA-N	316.365	1.525	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)COC(C)C	270593511	UGKQDJATWPYRCR-UHFFFAOYSA-N	312.391	1.360	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccncn1	279055830	MTARUNKASNFEFL-UHFFFAOYSA-N	315.377	1.846	50	20	DDGD	
CCCN(CC)Cc1ccc(C(=O)NNC(=O)C(C)(C)O)cc1	277987539	PFRMVONKGVPUCM-UHFFFAOYSA-N	321.421	1.450	50	20	DDGD	
O=S(=O)(CBr)NCc1nccn1C(F)F	272787775	IVONNTMMCZOHPO-UHFFFAOYSA-N	304.116	1.050	50	20	DDGD	
CC(C)Oc1ccccc1NC(=O)C(=O)NNC(=O)CC1CC1	274055771	JXIPUIGCLWDURK-UHFFFAOYSA-N	319.361	1.360	50	20	DDGD	
CN(C)CCOc1cc(C(=O)NNc2ccccc2)ccn1	272721511	XPABIZDDXCXYFK-UHFFFAOYSA-N	300.362	1.779	50	20	DDGD	
CC1CCC2(CC1)OC[C@H](CNC(=O)NNc1cccnn1)O2	271952814	FCDBDYCHWJAWCY-AVERBVTBSA-N	321.381	1.425	50	20	DDGD	
CCNC(=O)c1ccc(C)c(NC(=O)NNC(=O)C2CC2)c1	273172925	FLDLVOVMHYGCRL-UHFFFAOYSA-N	304.350	1.307	50	20	DDGD	
CC(=O)CSCC(=O)NNC(=O)C(C)(C)c1ccccc1	278672223	GUYRXBIGBCBJNL-UHFFFAOYSA-N	308.403	1.434	50	20	DDGD	
CSSCCNC(=O)C1=NN(CC(C)C)C(=O)CC1	375206833	OTBJMWSQZYYOIP-UHFFFAOYSA-N	303.453	1.748	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NNc2ccc(C(F)(F)F)nn2)O1	282247250	BVXPFVCSRSWSQD-BRDIYROLSA-N	304.272	1.752	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)CCCOC1	283751385	KXMURZAHIOUVTF-AWEZNQCLSA-N	313.304	1.934	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2ccc3ccccc3n2)CCC1	284456546	VRMLYCJSZNIKCH-UHFFFAOYSA-N	313.357	1.813	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCCN(c2ncccc2F)CC1	375540467	HMCRSOKULDFFDJ-OUKQBFOZSA-N	318.352	1.703	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1ccn(C(C)C)n1	285291550	PTGXTZHOJGZANW-UHFFFAOYSA-N	302.425	1.530	50	20	DDGD	
CSSCCNC(=O)c1ccc(S(=O)(=O)N(C)C)o1	283955691	GHJFMUMEBZORQP-UHFFFAOYSA-N	324.449	1.271	50	20	DDGD	
COCCN(C)NC(=O)c1cc(C)n(Cc2ccccn2)c1C	288120631	ABOHECQBXRFQEY-UHFFFAOYSA-N	316.405	1.771	50	20	DDGD	
CCCOc1ccc(CNC(=O)NNc2ncncc2F)cn1	292490391	BLFPAVOPDGRVAG-UHFFFAOYSA-N	320.328	1.626	50	20	DDGD	
CC[C@@H](C)[C@@H](CNC(=O)NNC(=O)c1cccc(C)n1)OC	296895413	NAMZMPMUISKXTH-ZWNOBZJWSA-N	308.382	1.395	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CSC(F)F)n1	294846028	FTIVYYRIVKLTGW-UHFFFAOYSA-N	305.354	1.722	50	20	DDGD	
COC(=O)N(C)NC(=O)CNc1cccc(C(F)(F)F)c1	804125174	NQWQZYXGNRCSOD-UHFFFAOYSA-N	305.256	1.847	50	20	DDGD	
CCSCCCNC(=O)NNc1ccc(-n2cccn2)nn1	800731391	BJKWPZUFTCTKIY-UHFFFAOYSA-N	321.410	1.432	50	20	DDGD	
COCc1ccccc1CNC(=O)NNC(=O)[C@H]1CCCCO1	296584799	MYIWPAQKRQXOTK-CQSZACIVSA-N	321.377	1.233	50	20	DDGD	
C[S@@](=O)C1(CNC(=O)NNc2cccc(Cl)n2)CC1	293456763	VJRLWNGFTRRXEN-LJQANCHMSA-N	302.787	1.272	50	20	DDGD	
Cc1ccc(-n2cnnc2)c(C(=O)NNc2cccc(F)n2)c1	804768770	UQYJNJNATYTHHQ-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
C[C@@H]1CC(=O)N[C@H](C(=O)NNc2cc(C(F)(F)F)ccn2)C1	295315133	KPEJXKJTTILLHS-CBAPKCEASA-N	316.283	1.458	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)Cn2nc(C)cc2C)o1	292430121	LNLODQWCAOXLPS-UHFFFAOYSA-N	319.365	1.210	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNC(=O)CNc1cccc(OC)c1	806364968	LRWZNCVJICEHSO-OAHLLOKOSA-N	304.350	1.194	50	20	DDGD	
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NNc1ncccc1F	804217107	TXLHYQLKRPLBFB-UHFFFAOYSA-N	319.296	1.952	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1ccnn1C1CCCC1	802025922	JEPHTQNZZGIIGD-UHFFFAOYSA-N	314.349	1.282	50	20	DDGD	
C[C@@H](Cc1cccc(F)c1)C(=O)NNC(=O)[C@@H]1CCCCO1	295322736	GRISHJAWHIYZIB-FZMZJTMJSA-N	308.353	1.721	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CSC[C@@H]2C)c1	807476490	GFYGSNBXWDRRLT-JOYOIKCWSA-N	309.391	1.851	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)COC2CCCC2)cc1	298644586	HDNJYSXOGNVKSM-UHFFFAOYSA-N	317.345	1.044	50	20	DDGD	
O=C(NNC(=O)C(F)(F)c1cccc(Cl)c1)[C@@H]1CCCO1	294779979	YXNXRWKNRAOKBB-JTQLQIEISA-N	318.707	1.758	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H](C)Sc2ccccn2)O1	293767716	AJNKWCFSPANUOA-AXFHLTTASA-N	309.391	1.277	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=O)N=c2cc[nH]cc2)s1	802034220	FCYZJPHAOZHIHK-UHFFFAOYSA-N	305.363	1.297	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNc1nc2ccccc2c(=O)n1C	812510222	YKPGWHJCLXRUAT-QWRGUYRKSA-N	318.377	1.295	50	20	DDGD	
CC(C)C[C@H](CNC(=O)NNC(=O)c1ccccc1)C(=O)O	818625216	XVTVBNMUCHWKJS-GFCCVEGCSA-N	307.350	1.378	50	20	DDGD	
CCn1cc(C(=O)C(=O)NNc2nc3ccccc3n2C)cn1	816577364	JIMLCMFNNQAPRC-UHFFFAOYSA-N	312.333	1.116	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)Cc2ccc(Cl)cc2)n1C	811635388	WLZANFYWFWPQDP-UHFFFAOYSA-N	319.796	1.832	50	20	DDGD	
CC(C)[C@]1(CO)CCCN(S(=O)(=O)CBr)C1	815094458	BULMFVSGAURLAD-SNVBAGLBSA-N	314.245	1.399	50	20	DDGD	
CC(C)c1ccc2c(c1)C(=NNC(=O)Cc1cc[nH]n1)C(=O)N2	814957476	HPZHYHLEXBATLU-UHFFFAOYSA-N	311.345	1.548	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNC(=O)c2ccnnc2)s1	817694301	XNSOXWSGNHRDLG-UHFFFAOYSA-N	305.363	1.305	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2ccc(C#N)o2)nc1C	815980587	QCAUQMPMNMLUES-UHFFFAOYSA-N	315.289	1.183	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1c(F)cc(C)cc1F	818049578	TVSVNQMOSAJFFG-MRVPVSSYSA-N	306.334	1.629	50	20	DDGD	
CCc1nocc1CN(C)CC(=O)NNC(=O)c1cccs1	815172088	HTPVKEJWVVWHBZ-UHFFFAOYSA-N	322.390	1.192	50	20	DDGD	
O=C(O)CCOc1ccc(C=NNC(=O)[C@H]2CCCS2)cc1	819827940	YAPVXDWRHLQQPN-CYBMUJFWSA-N	322.386	1.886	50	20	DDGD	
Cn1ncc(C=NNC(=O)Cc2cn3ccccc3n2)c1Cl	814864053	NRLSJZJROHRNKV-UHFFFAOYSA-N	316.752	1.414	50	20	DDGD	
COc1nc(Cl)c(C=NNC(=O)N=c2cc[nH]cc2)s1	815003149	GWMPHVQKCWPKOG-UHFFFAOYSA-N	311.754	1.778	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)CCc1ccccc1)n1cccn1	819209434	YDBWTBSAPBWFAB-ZDUSSCGKSA-N	300.362	1.614	50	20	DDGD	
Cn1nc(C(=O)NN=C2CC[C@H]2C2CC2)c2ccccc2c1=O	814739044	AJJITZJBMWUSDJ-NSHDSACASA-N	310.357	1.839	50	20	DDGD	
CCN(CCC(F)(F)F)C(=O)NNC(=O)Cc1cccnc1	728957916	MNRXHIJCCLAVFU-UHFFFAOYSA-N	318.299	1.639	50	20	DDGD	
Cc1ncccc1C=NNC(=O)Cn1nnc(-c2ccccc2)n1	728779150	ZJTKFHVWJPVWCN-UHFFFAOYSA-N	321.344	1.194	50	20	DDGD	
COC(=O)c1sc(NC=C(C#N)C#N)c(C(=O)OC)c1C	727643235	BAXFLYZURPAPNQ-UHFFFAOYSA-N	305.315	1.973	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCOc1ccc2ccccc2c1	823923085	OYGHQARZDVWCIM-ZDUSSCGKSA-N	302.374	1.953	50	20	DDGD	
COC(=O)Nc1cc(C(=O)NNC(=O)CC2CC2)ccc1F	820758489	WYVLBVVSEBFQHS-UHFFFAOYSA-N	309.297	1.565	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@@H]1Cc2ccccc2S1	822067177	RNTWRPQIZQCRSO-ZDUSSCGKSA-N	301.371	1.503	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccccc1Oc1ccncc1	823921734	BCGOUIAIUVGWTO-GFCCVEGCSA-N	301.346	1.831	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCC[C@@H]1c1ccccc1	822232506	MLQYMNUEJONXFH-KGLIPLIRSA-N	317.389	1.242	50	20	DDGD	
C#CCC[C@@H](O)CNC(=O)/C(C#N)=C/c1ccc(OCC)cc1	490876430	KFVFMFWOZFQJMP-RBFDBLARSA-N	312.369	1.883	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NC1(C(N)=O)CCCCC1	490975314	OWPRIZMKWGQZSV-RAXLEYEMSA-N	313.357	1.604	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C(C)c1ccc[nH]1	497142698	GNEXIDSMTORLID-ZDUSSCGKSA-N	318.377	1.772	50	20	DDGD	
CC[C@H](C)CCC(=O)NNC(=O)CCNC(=O)OC(C)(C)C	497155181	WSCVZILFVZHMKN-NSHDSACASA-N	315.414	1.875	50	20	DDGD	
COCCOC1CCC(C(=O)NNC(=O)OC(C)(C)C)CC1	492433124	HXHKGZCJUARRQY-UHFFFAOYSA-N	316.398	1.764	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@H](C)OCC2CC2)c1	728206289	GLOYTZDYGHVVPF-NSHDSACASA-N	321.377	1.070	50	20	DDGD	
CCOc1ccc(NCc2ccc(B(O)O)cc2F)cc1CO	585012617	AUXRIMPJTZVTFQ-UHFFFAOYSA-N	319.141	1.009	50	20	DDGD	
CN(C)Cc1cccc(NCc2ccc(B(O)O)cc2F)c1	585012359	VVXIFFFYYYJCGN-UHFFFAOYSA-N	302.158	1.179	50	20	DDGD	
Cc1onc(-c2ccc(F)cc2)c1C(=O)NN(C)[C@@H](C)CO	823977338	URLSYXRBTLBLOW-VIFPVBQESA-N	307.325	1.747	50	20	DDGD	
O=C(c1cc(-c2ccccc2)ns1)N1CC[C@H](B(O)O)C1	585064709	ATYVESJFHBQXRC-NSHDSACASA-N	302.164	1.499	50	20	DDGD	
Cc1ccc(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)cn1	826291138	RHZVHJBBRLSSHC-UHFFFAOYSA-N	310.321	1.719	50	20	DDGD	
Cc1cccnc1CCCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C	826907316	NXZGGIBWMJAFQH-STQMWFEESA-N	320.393	1.078	50	20	DDGD	
O=C(NN=Cc1ccc(OC[C@H]2CCCO2)cc1)c1ncon1	901285863	NBKIYEVZFKMUGW-CYBMUJFWSA-N	316.317	1.391	50	20	DDGD	
COC(=O)NCCC(=O)NNC(=O)c1cccc2ccccc12	491681543	YWUHGDRCGIBXKU-UHFFFAOYSA-N	315.329	1.347	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21)c1ccccc1	906625427	PEEOFBKNMPQOKO-MRVWCRGKSA-N	300.358	1.337	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1c(Cl)ccc(F)c1F	495599924	BXYDMHVZAHSJPT-UHFFFAOYSA-N	300.670	1.168	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1cccc(C#N)c1	732303778	KVMQMDAQVIJPIE-UHFFFAOYSA-N	315.354	1.719	50	20	DDGD	
O=C(NNc1ncncc1Cl)NC1CCN(C2CCC2)CC1	836644312	NMQBRZHVLMMQKT-UHFFFAOYSA-N	324.816	1.773	50	20	DDGD	
O=C(NC[C@@H]1CCc2ccccc21)NNC(=O)[C@H]1CCCCO1	838431536	UUXFIMNZKPBKKF-DZGCQCFKSA-N	317.389	1.616	50	20	DDGD	
CC(C)C[C@H](C)n1nccc1NC(=O)c1ccc(B(O)O)cc1	584991563	DEJUXEYUWXSICW-LBPRGKRZSA-N	315.182	1.422	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)Cc2ccccc2C)COC1	836635311	VPDHSXADRXSIJE-UHFFFAOYSA-N	305.378	1.295	50	20	DDGD	
C[C@H]1CCCC[C@@H]1CCNC(=O)c1cc(B(O)O)ccc1F	584947266	KHAJWBNSQLPJQQ-NWDGAFQWSA-N	307.174	1.452	50	20	DDGD	
CC[C@H](C(=O)NNC(=S)NCCCC(=O)O)c1ccccc1	736850950	YYVFMRWNFJXZLY-LBPRGKRZSA-N	323.418	1.540	50	20	DDGD	
COC[C@@H](OC)C(=O)NNc1cc(C(F)(F)F)ccc1F	831118873	FYAISDSNGQABQM-SNVBAGLBSA-N	310.247	1.949	50	20	DDGD	
CN(C)CCCNC(=O)NNC(=O)c1cccc2ncccc12	730111784	NUHQAEWFAUZCBM-UHFFFAOYSA-N	315.377	1.131	50	20	DDGD	
CCn1nc(C2CC2)cc1C(=O)NNC(=O)c1ccc(C)o1	906933024	HZNCIKPQEUZRLX-UHFFFAOYSA-N	302.334	1.757	50	20	DDGD	
Cn1cnnc1CCCNC(=O)[C@@]1(C)C[C@H]1Br	908328962	XORAEQZUFSTZHR-KCJUWKMLSA-N	301.188	1.037	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@]1(C)CC[C@H](C)C1(C)C	838443372	ZGIUEWDUOYIWGF-USBNGQNGSA-N	312.410	1.938	50	20	DDGD	
COCC1(CNC(=O)[C@]2(C)C[C@H]2Br)CCOCC1	908339953	HJQCOYZLSUZLMR-ZYHUDNBSSA-N	320.227	1.719	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CC[C@@H](c3cccc(F)c3)C2)o1	585038991	LVOFPBUCHLPCBV-OCCSQVGLSA-N	303.142	1.524	50	20	DDGD	
OB(O)c1ccccc1CN[C@H]1CCOc2c(F)cccc21	585037198	UNXINELIRGGXLO-HNNXBMFYSA-N	301.126	1.119	50	20	DDGD	
C[C@H](Oc1cccc2ccccc12)C(=O)N1CC[C@H](B(O)O)C1	585063685	FMPKYSGDXJOOFM-JSGCOSHPSA-N	313.162	1.682	50	20	DDGD	
CC(C)[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)c2ccccc21	584982749	QBSJBUILJLIWGH-INIZCTEOSA-N	309.174	1.766	50	20	DDGD	
CC[C@H](C)n1ncc(NCc2ccc(B(O)O)o2)c1C1CC1	585033583	FBLLQKNDSFFJNH-JTQLQIEISA-N	303.171	1.616	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)c2ccccc2)nn1C	731174034	CTULDDUDQIDAPQ-UHFFFAOYSA-N	300.362	1.467	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCN1C1CCCC1)[C@@H]1CCCCO1	833243376	RFFXTAQMRKKKIE-CABCVRRESA-N	323.437	1.500	50	20	DDGD	
Cn1c(=O)oc2cc(C=NNC(=O)[C@H]3CCCCO3)ccc21	834986089	MHWMUJSQOUGVDA-GFCCVEGCSA-N	303.318	1.151	50	20	DDGD	
CSc1cc(F)ccc1NC(=O)C(=O)NNC(=O)C1CC1	832348042	MQQSKVQTLXBZKI-UHFFFAOYSA-N	311.338	1.044	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)[C@@H]1CCCCO1	833246230	GFXUNIFVCFHZFT-QKCSRTOESA-N	324.327	1.785	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc3nc(O)oc3c2)cc1	747173090	MMGLMTUCPLLACO-UHFFFAOYSA-N	322.280	1.480	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CC23CCOCC3)c(F)c1	837207435	NHULPJPMBPSORE-NSHDSACASA-N	322.336	1.872	50	20	DDGD	
CN(CCO)c1ccc(C=NNC(=O)Cc2ccncc2)cc1	747641136	WJGUYPMAEZIWDE-UHFFFAOYSA-N	312.373	1.203	50	20	DDGD	
CC(=NNC(=O)c1ccncc1)c1ccc([S@](C)=O)cc1	746368009	SSCSSYVLEIVHPF-NRFANRHFSA-N	301.371	1.973	50	20	DDGD	
O=S(=O)(N[C@H](CO)CCF)c1ccc(CCCl)cc1	846015794	XMNXFQBIOHKHIU-NSHDSACASA-N	309.790	1.467	50	20	DDGD	
CC(C)OCC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	743832551	TZQXNVOOVAABMB-UHFFFAOYSA-N	317.292	1.866	50	20	DDGD	
Cc1c(C(=O)NN(C)C[C@@H](C)O)nnn1-c1cccc(Cl)c1	910170116	YMNVYRRMVJAFIK-SECBINFHSA-N	323.784	1.187	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)[C@@H]1CCCCO1)OCC1CC1	840429181	YZEKBHRHPIQFLI-LBPRGKRZSA-N	313.398	1.091	50	20	DDGD	
O=C(NNc1ncccc1F)N[C@@H]1CCCN2CCCC[C@@H]12	848675284	WFEZDVQNIHJCGE-OLZOCXBDSA-N	307.373	1.864	50	20	DDGD	
CCCN1CCC[C@H](C(=O)NNC(=O)OCC(F)(F)F)C1	912597396	SYTDFKANNJVLNI-VIFPVBQESA-N	311.304	1.428	50	20	DDGD	
Cc1cccc(CC(=O)NN(C)C[C@H](C)O)c1Br	910140933	UQXADAJWTFOPQV-JTQLQIEISA-N	315.211	1.644	50	20	DDGD	
C[C@@H](C(=O)NNc1ncc(F)cc1F)C(=O)OC(C)(C)C	840475090	SOHDRTJBXXENIS-ZETCQYMHSA-N	301.293	1.781	50	20	DDGD	
CCOc1ccc(C[C@@H](C)C(=O)NNC(=O)C(C)(C)O)cc1	840431786	DOKGENXHBOFTAG-LLVKDONJSA-N	308.378	1.182	50	20	DDGD	
CCc1nncn1CCNC(=O)NNc1ccc(Cl)nc1	745912378	SHKMERFHZFHKHF-UHFFFAOYSA-N	309.761	1.215	50	20	DDGD	
Cc1cncc(C(=O)NNC(=O)COc2cc(C)ccc2C)c1	742471574	HAUJCINRMAAXLZ-UHFFFAOYSA-N	313.357	1.847	50	20	DDGD	
CC(=O)Nc1ccccc1CNC(=O)NNC(=O)C1CCCC1	745858018	NTKITQLEXDRPRO-UHFFFAOYSA-N	318.377	1.666	50	20	DDGD	
O=C(NCCCCn1ccnc1)NNc1cncc(Cl)n1	918141343	UYQAMUJKCZSDBY-UHFFFAOYSA-N	309.761	1.433	50	20	DDGD	
C[C@@H](Oc1ccccc1Cl)C(=O)NNC(=O)c1ccccn1	913625880	MYGZRZXTJLFHJB-SNVBAGLBSA-N	319.748	1.964	50	20	DDGD	
CCOC(=O)CCN(C(=O)/C(C#N)=C\c1cnn(C)c1)C(C)C	848350657	SGWCKDWMPYKMLE-ZSOIEALJSA-N	318.377	1.517	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C[C@@H]2CCOC2)c2ccccc2n1	740177416	QUVUGFUNXCBLHK-LBPRGKRZSA-N	313.357	1.731	50	20	DDGD	
CCOc1cc(C=NNC(=O)CN(C)C)ccc1OC(=O)CC	841627507	SJQVDWROPFRPIO-UHFFFAOYSA-N	321.377	1.412	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc3ccccc23)nn1C	741574890	GDMIMAKLIRYUED-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
C=C[C@H](CC(=O)NNC(=O)CN1CCCC1=O)c1ccccc1	913732030	FNHCEPOGWLJOFP-CYBMUJFWSA-N	315.373	1.116	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@H]1CCc2cncn2C1	844136539	FFGCHRAKTNTHQF-AWEZNQCLSA-N	312.373	1.144	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2O)c(O)n1	918362140	KHGKLRBVKVBJOK-UHFFFAOYSA-N	321.720	1.529	50	20	DDGD	
O=C(CCC1CCCCCC1)NNC(=O)C(=O)N1CCCC1	847410758	OMCRKZDDXFGQLQ-UHFFFAOYSA-N	309.410	1.507	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(-c2ccco2)on1	843971293	BVBLLEMYZBLFND-IUCAKERBSA-N	305.290	1.121	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1F)[C@H](C)O	842231897	BEIWWVLAKRANDJ-IONNQARKSA-N	302.733	1.647	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)N[C@@H](CO)CCF	846711813	PDNPQQQSQWAKFX-SNVBAGLBSA-N	309.297	1.097	50	20	DDGD	
C[C@@H](NC(=O)C1CCCC1)C(=O)NNC(=O)CC1CCCC1	749940934	ZSWRBYLFUUGTAF-LLVKDONJSA-N	309.410	1.409	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@@H](c1ccccc1)n1cccn1	748718922	RVMLHUBZYXWXJT-CQSZACIVSA-N	313.361	1.213	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@@H]1CCN(CC(F)F)C1	842195901	JDLWGUMRHQGGBT-MRVPVSSYSA-N	321.278	1.325	50	20	DDGD	
CCCc1c(C(=O)NNC(C)=O)cnn1Cc1ccccc1	920430551	QLWCIJDZHOXFJR-UHFFFAOYSA-N	300.362	1.665	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H](CN)C2CCCCC2)n1	841940119	OKDTYDOVIOZEKD-CYBMUJFWSA-N	306.414	1.627	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)COCc1ccnn1C	846641521	HQDZHYDCYRYAOI-UHFFFAOYSA-N	308.313	1.228	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(N(CC)C(C)=O)nc1	849173769	CIEWWENOWPRMPY-XFXZXTDPSA-N	302.334	1.837	50	20	DDGD	
O=C(NC[C@@H]1CNCCO1)NNc1cc(Cl)cc(Cl)c1	842009851	BCOXXXUJCIIFHE-NSHDSACASA-N	319.192	1.608	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@H]2CCCSC2)cc1	845021560	KRROJTJWHSNVPQ-ZDUSSCGKSA-N	323.418	1.924	50	20	DDGD	
O=C(NC[C@H]1CNCCO1)NNc1ccccc1C(F)(F)F	842010734	JMPPXKZXGTYMQR-SECBINFHSA-N	318.299	1.320	50	20	DDGD	
Cc1ccc2c(c1)[C@@H](NC(=O)NNC(=O)c1ncccn1)CC2	845495807	ROZDCNVONVPDHQ-ZDUSSCGKSA-N	311.345	1.417	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Nc2cc(C)n(C)n2)c1	757755187	ZBOGQYFXXCXUHZ-UHFFFAOYSA-N	317.349	1.269	50	20	DDGD	
CC[C@](C)(O)C(=O)NNC(=O)COc1cc(C)ccc1C(C)C	929237971	QYJYAOWEQCJAET-KRWDZBQOSA-N	322.405	1.806	50	20	DDGD	
O=C(NN=C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CCC1	853306786	ZIDLZUXYSBRJLN-UHFFFAOYSA-N	317.349	1.862	50	20	DDGD	
C[C@H]1CCCN(CC(=O)NNC(=O)c2cccc(C#N)c2)[C@@H]1C	756530212	CCMZNXACZQOHSG-QWHCGFSZSA-N	314.389	1.440	50	20	DDGD	
Cc1cc(C)cc(CNC(=O)NNC(=O)[C@H]2CCCCO2)c1	852536180	BESMLROILGSGPS-CQSZACIVSA-N	305.378	1.703	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)c2cccnn2)sc1C	858152648	YEEFNWSPAFZVRE-UHFFFAOYSA-N	304.375	1.874	50	20	DDGD	
COCc1ccccc1NC(=O)NNC(=O)c1cnccn1	755807218	NUTWJJDRXITTMB-UHFFFAOYSA-N	301.306	1.090	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2nccnc2Cl)[C@H]2CCCC[C@@H]2N1	857127503	RIACGLDCUDCGDA-UTLUCORTSA-N	323.784	1.268	50	20	DDGD	
CCn1nccc1NC(=O)NNC(=O)COc1cccc(C)c1	757903436	VQHIINCATKDHGT-UHFFFAOYSA-N	317.349	1.443	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	854928032	MSNKKJVUHHNDPG-UHFFFAOYSA-N	323.378	1.250	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)C1CC2(CC2)C1	854180999	QYFFFZZVPIDVGZ-CYBMUJFWSA-N	302.330	1.164	50	20	DDGD	
C[C@]1(CNC(=O)CCCCNC(N)=O)C[C@H]1Br	857402900	GMESOMFMUPWJJO-LDYMZIIASA-N	306.204	1.115	50	20	DDGD	
COCCCNC(=O)NNC(=S)N[C@@H]1CCCC[C@H]1C	920833523	WRHNWJXFCJMUDG-GHMZBOCLSA-N	302.444	1.280	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)CC(F)(F)F)c(F)c1	752286782	RKSQORUEJOFVQZ-UHFFFAOYSA-N	307.247	1.605	50	20	DDGD	
CC1(C)CCN[C@@H]1C(=O)NNc1nc(-c2ccccc2)no1	852829932	FPGPTCVCZNKXRP-LLVKDONJSA-N	301.350	1.568	50	20	DDGD	
CCc1nc([C@@H](C)NC(=O)NNC(=O)c2cn[nH]c2)cs1	858211512	OIHWMBMRPPAWCM-SSDOTTSWSA-N	308.367	1.134	50	20	DDGD	
C[C@H](NC(=O)NC[C@@]1(C)C[C@@H]1Br)c1ccn(C)n1	856864947	RBWHXEMEMZFSCO-PTOFAABTSA-N	315.215	1.954	50	20	DDGD	
CSC(C)(C)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	854216687	CSLRLFWHXLVQMS-VIFPVBQESA-N	314.382	1.882	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)NCCCSC#N)C2	854366876	ITHNDSLYIUGFGX-TUAOUCFPSA-N	309.391	1.350	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)c1cn[nH]c1	757727773	VGGWEVSZOCBBAD-MRVPVSSYSA-N	318.293	1.023	50	20	DDGD	
Cc1conc1NC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	857005006	IQZQHKUCZRRTSV-WRWORJQWSA-N	316.155	1.211	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H]1C1CC1)c1cnn(-c2ccccc2)c1	751276356	YJZWGTFZFOQUAT-CABCVRRESA-N	310.357	1.679	50	20	DDGD	
CC1=C(C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)CCC1	855832101	SWXITTZHJOQUPW-UHFFFAOYSA-N	309.410	1.577	50	20	DDGD	
CNC[C@@H](C)NC(=O)NNC(=O)c1cc(C)nc2ccccc12	851680969	LGHAIDZDZKYLCD-LLVKDONJSA-N	315.377	1.095	50	20	DDGD	
Cc1ccc(OCCNC(=O)NNC(=O)c2cn[nH]c2)c(C)c1	858104981	FIYRAQWHNBXHBI-UHFFFAOYSA-N	317.349	1.050	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NC[C@@]1(C)C[C@@H]1Br	856900870	ZAGQONRBQKWKDB-QPUJVOFHSA-N	320.231	1.927	50	20	DDGD	
CCn1nccc1NC(=O)NNC(=O)Cc1ccccc1F	757903544	XIIOBJPGSKPYQX-UHFFFAOYSA-N	305.313	1.438	50	20	DDGD	
COC(=O)N(C)CCNC(=O)NNc1cc(Cl)ccc1C	923309663	YMGATOBFJNTMNN-UHFFFAOYSA-N	314.773	1.973	50	20	DDGD	
Cn1ncc2c(O)nc(NC[C@]3(C)C[C@H]3Br)nc21	856785479	JVRSFIIBUKYBHJ-HQJQHLMTSA-N	312.171	1.654	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)c1ccc(C)cc1	858703707	ASEBISDAWSUHJY-CYBMUJFWSA-N	301.350	1.813	50	20	DDGD	
C[C@@]1(CC(=O)NNC(=O)c2cccc(F)n2)CC1(Cl)Cl	856428360	UWYWNDSVGOWTMN-LLVKDONJSA-N	320.151	1.956	50	20	DDGD	
C[C@H]1OCC[C@@H]1SCC(=O)NNC(=O)c1ccc(C#N)cc1	754719072	JBGJMVJCQSREHR-MFKMUULPSA-N	319.386	1.230	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@@](F)(CO)C2)C[C@H]1Br	856957133	AEWSAKITRZEZOZ-IEBDPFPHSA-N	309.179	1.276	50	20	DDGD	
Cc1cc(Cn2nnc(C(=O)NCCCSC#N)c2C)on1	854360745	YIHQFJOREAUEIK-UHFFFAOYSA-N	320.378	1.265	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cnn(C(C)C)c2N)cc1	757701344	ZDYBMSFCOPLROD-UHFFFAOYSA-N	315.377	1.683	50	20	DDGD	
COc1ccc(CCC(=O)NNc2cnnn2C)cc1Cl	857271465	NFRDAAIVJRXGPZ-UHFFFAOYSA-N	309.757	1.553	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)/C=C/c1cnccc1C	854284004	SPPWOXLPJIZALO-AATRIKPKSA-N	322.434	1.277	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cccc(F)c1O	935868552	AQLALOJFDNUWHT-UHFFFAOYSA-N	314.313	1.082	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)c2cc[nH]n2)c(C)c1	855359149	HKMLAZDJOBYEKJ-UHFFFAOYSA-N	302.334	1.257	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(-c2ccccc2F)nn1	934951148	BJJBEBJEFODSCI-UHFFFAOYSA-N	319.340	1.897	50	20	DDGD	
CCOC(=O)c1cnc2ccccc2c1N1CC[C@@H](B(O)O)C1	864234675	ZPOFZXSINONEHB-LLVKDONJSA-N	314.150	1.465	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(F)c(Cl)c1)[C@@H](C)S(C)(=O)=O	863081941	BTBCJATWQHTRJE-HTQZYQBOSA-N	322.789	1.991	50	20	DDGD	
COc1cccc([C@H](O)C(=O)NNC(=O)NC2CCCCC2)c1	764586937	FJGWZJFJQTUUFN-AWEZNQCLSA-N	321.377	1.392	50	20	DDGD	
COCC[C@](C)(O)CNC(=O)[C@H](Br)C(C)(C)C	768202272	XPYPNQWRDLDBCN-CABZTGNLSA-N	310.232	1.700	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(O)nc2)c([N+](=O)[O-])c1	768331469	DRQYQNKJFGPPSV-UHFFFAOYSA-N	304.262	1.461	50	20	DDGD	
CO[C@@H](CC(=O)NNCC(F)(F)C(F)(F)F)C(F)(F)F	863102735	UTESOTSAXJWOAR-BYPYZUCNSA-N	318.164	1.772	50	20	DDGD	
C=CC(=O)NCc1ccc(C(=O)NN[C@@H](C)C(F)(F)F)cc1	862308784	IGSIMUFEEKWPOL-VIFPVBQESA-N	315.295	1.674	50	20	DDGD	
C[C@H](NNC(=O)[C@H]1CCCN1Cc1ccccn1)C(F)(F)F	862313126	CNYXKCADKFVIBG-CMPLNLGQSA-N	316.327	1.618	50	20	DDGD	
O=C(/C=C/C1CCOCC1)NNC(=S)Nc1ccccn1	768578266	FLUCALBNNQWVLV-SNAWJCMRSA-N	306.391	1.382	50	20	DDGD	
COC(=O)COc1cccc(NC(=O)NNc2cnccn2)c1	769958161	QSTHAFJGIBFQCZ-UHFFFAOYSA-N	317.305	1.177	50	20	DDGD	
COc1ccccc1C[C@H](C)CC(=O)NNC(=O)c1cn[nH]c1	862472016	RWSZLTLNTSVSCT-NSHDSACASA-N	316.361	1.448	50	20	DDGD	
CCO[C@@H](C(=O)NNc1ccc(OC)cc1[N+](=O)[O-])C1CC1	860217777	LYWUCFWQFHMGLC-CYBMUJFWSA-N	309.322	1.862	50	20	DDGD	
CSSCCNC(=O)c1ccc(NS(C)(=O)=O)nc1	861575708	MHMQEWOAWRMMRD-UHFFFAOYSA-N	321.449	1.194	50	20	DDGD	
COCCC(=O)COC(=O)/C(C#N)=C\c1cccc(OC)c1	761935390	YDPCQRJASFBNEQ-JYRVWZFOSA-N	303.314	1.751	50	20	DDGD	
COCc1nc2cc(NCc3ccccc3B(O)O)ccc2o1	864021681	FOPIAQPAKMPULL-UHFFFAOYSA-N	312.134	1.266	50	20	DDGD	
CCc1ccccc1NC(=O)C(=O)NNC(=O)c1ccccn1	763462923	DAIIUUJRKCTPKY-UHFFFAOYSA-N	312.329	1.044	50	20	DDGD	
O=C(CCc1nccs1)NNCC(F)(F)C(F)(F)F	863094869	WHYSCOXIDGFDQL-UHFFFAOYSA-N	303.256	1.894	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1c(C(F)F)nc2n1CCCC2	865702116	VNQBUAOMTQKYPW-UHFFFAOYSA-N	312.320	1.718	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cnc(C3CC3)[nH]2)n1	1116699625	RSMPKGWYDMRVTH-UHFFFAOYSA-N	315.381	1.680	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccnc(OC2CCC2)c1	761136836	DKHXQDIWRSSVRR-UHFFFAOYSA-N	303.362	1.964	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)c1ccccc1O	765402038	BNCCDBWDIBXSHG-UHFFFAOYSA-N	318.354	1.651	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cc(F)cc(C#N)c1	873872494	WBUCVVATQAYUQZ-UHFFFAOYSA-N	313.379	1.763	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCCc1ccsc1	772301983	ZDKYFLSLHKJFMZ-SNVBAGLBSA-N	312.391	1.560	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1c[nH]c2ccccc12	771883269	SPQOUMJVUWVOPD-SNVBAGLBSA-N	317.345	1.200	50	20	DDGD	
COc1ccc(NC(=O)NNc2nccc(OC)n2)c(OC)c1	775432901	PUVICMPBSNWDNY-UHFFFAOYSA-N	319.321	1.651	50	20	DDGD	
CC(C)[C@](C)(O)C(=O)NNC(=O)c1cccc2ncccc12	771328182	PMALSCAGYPHCSD-INIZCTEOSA-N	301.346	1.403	50	20	DDGD	
CC(C)[C@@H](O)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874952844	JEAWVASCHPWIQF-GFCCVEGCSA-N	310.423	1.087	50	20	DDGD	
O=C(Cn1cc(C2CC2)cn1)NNC(=S)Nc1ccccn1	874957163	DACCKOMVTUYSDO-UHFFFAOYSA-N	316.390	1.173	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc(-c2cnn(C)c2)s1	872400009	DWMFMHGFACGYBY-UHFFFAOYSA-N	322.390	1.262	50	20	DDGD	
COC(=O)[C@@H]1C[C@H](OC)CCN1C[C@@H](C)CBr	770669381	VHNXTIDBKTVQSA-AXFHLTTASA-N	308.216	1.670	50	20	DDGD	
O=C(NCC(F)(F)F)NN=C1CCc2cccc(C(=O)O)c21	872343956	GFOKOZJBCIJUCE-UHFFFAOYSA-N	315.251	1.897	50	20	DDGD	
Cn1nc2c(c1NC(=O)NNC(=O)[C@H]1CCCCO1)CCCC2	880621735	CRZFXXILTJYCAP-GFCCVEGCSA-N	321.381	1.021	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C1CC(OCc2ccccc2)C1	887144409	MAVWDCWSOSEDTL-UHFFFAOYSA-N	314.385	1.933	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc(C(F)(F)F)nc1	883061125	JNGLZKZOKFIGLC-UHFFFAOYSA-N	317.267	1.288	50	20	DDGD	
O=C(CN1CCCCC1=O)NNc1ccc(F)c([N+](=O)[O-])c1	771591793	FLJCSEAOYDPMNH-UHFFFAOYSA-N	310.285	1.190	50	20	DDGD	
CC1(C)C[C@@H](NC(=O)NNC(=O)CC(F)(F)F)C(C)(C)O1	779383627	BUSFCBKPUOMTKI-SSDOTTSWSA-N	311.304	1.615	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](C[C@@H]1CCCO1)C(F)(F)F	887150285	FAQCFJYVVXVGQL-QWRGUYRKSA-N	320.311	1.685	50	20	DDGD	
N#CSCCCNC(=O)c1cnn(-c2ccc(F)cc2)n1	774299393	YGOCNOHXTXHCQF-UHFFFAOYSA-N	305.338	1.741	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@@H]1COc2cc(OC)ccc21	887145637	LSERUNWNJTZCQT-GFCCVEGCSA-N	316.357	1.512	50	20	DDGD	
C[C@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)c1cccs1	770983684	PTEWRZPDHVIVDD-ZETCQYMHSA-N	318.362	1.377	50	20	DDGD	
CSc1ccc(O)c(C(=O)NNC(=O)C2CCOCC2)c1	883072665	VHSAJUISSKCZIW-UHFFFAOYSA-N	310.375	1.302	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)N1CC[C@H]1C	883608278	UYRDZUMAIZPKHB-NXEZZACHSA-N	311.769	1.942	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCCc2nccn2C(F)F)cn1	1123951154	ZPBLOARFBVODSZ-WDZFZDKYSA-N	320.303	1.278	50	20	DDGD	
C[C@H]1C[C@H](CCNC(=O)NNc2ccc(Cl)nn2)CCO1	784516558	NSTIAOPIFOEVLN-VHSXEESVSA-N	313.789	1.961	50	20	DDGD	
O=C(Cc1cccc(N2CCCC2=O)c1)NN=c1cc[nH]cc1	787510589	ZVOHJJRLWDLCOT-UHFFFAOYSA-N	310.357	1.316	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cccc(NC(=O)NC)c1	887153193	LIIFMCHWCKBYCQ-UHFFFAOYSA-N	302.334	1.002	50	20	DDGD	
Cc1ccc(C2=NO[C@@H](C(=O)NNC(=O)C3CCCC3)C2)cc1	888138369	PALLTNZGOBOONG-OAHLLOKOSA-N	315.373	1.826	50	20	DDGD	
CC(=O)Nc1cccc(C(=O)NNC(=O)C2CCCC2)c1C	785408508	IETPRHRCNBHERY-UHFFFAOYSA-N	303.362	1.905	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2cccnn2)[C@H]1c1ccccc1	883851704	XZBKDHRWSZIZRA-BXUZGUMPSA-N	311.345	1.524	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)C1(Cc2ccc(F)cc2)CC1	783577432	WIUKTKANZBELHM-UHFFFAOYSA-N	305.353	1.889	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)C2CCOCC2)c(C)c1	894097812	QLBZTYHIQMXFPC-UHFFFAOYSA-N	320.389	1.646	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C/c1cc(Br)nn1C	780004348	LXCLOCXPRDFRLS-RUDMXATFSA-N	311.183	1.862	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2CO[C@H](C)C2)c1C	784141797	CTWQUHONJMTOQT-BNOWGMLFSA-N	320.389	1.643	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)[C@@H](C)C2(C)C)n[nH]1	780976236	MWKQPDFVRAZUMW-NXEZZACHSA-N	306.366	1.121	50	20	DDGD	
CC/C(C)=C(\C)C(=O)NNC(=O)COc1ccc(C#N)cc1	780847879	DHHYOXKIEAIGKI-VAWYXSNFSA-N	301.346	1.831	50	20	DDGD	
COCCOCCC(=O)Nc1cccc(NC(=O)NN(C)C)c1	788256209	ZERMCQSOAVTZJN-UHFFFAOYSA-N	324.381	1.276	50	20	DDGD	
COCC(=NNC(=O)c1cccc(C#N)c1)C1CCOCC1	780225000	HGUCYCZJNAWPLQ-UHFFFAOYSA-N	301.346	1.717	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccccc1OCC(=O)OC	899335995	NTHZUXOCCRLBSW-LCYFTJDESA-N	319.313	1.335	50	20	DDGD	
COc1ccc(CCCC(=O)NNc2ccncn2)cc1OC	897885229	RZQAEVDKNWWGBU-UHFFFAOYSA-N	316.361	1.960	50	20	DDGD	
Cc1ccc(C(=O)C(=O)NNC(=O)NCC(F)(F)F)cc1	798316397	XSMGSTPINFFOSX-UHFFFAOYSA-N	303.240	1.070	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)/C=C/c2ccc(O)c(O)c2)n1	794081315	CGWQLHPIIVPTOO-SOFGYWHQSA-N	313.313	1.276	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNc1ccc(Cl)nn1	792338450	SVCNZXYVAQYFBB-UHFFFAOYSA-N	307.741	1.989	50	20	DDGD	
COc1cc(NNC(=O)[C@@H]2CCN(C)C(=O)C2)ccc1Cl	790188601	IJOPSBKWCCGCOO-SECBINFHSA-N	311.769	1.660	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCCN1CCO[C@H](C)C1	799565780	OYAZVYRQNHRAEG-CQSZACIVSA-N	320.437	1.904	50	20	DDGD	
C=C(CBr)COC(=O)c1ccccc1-n1cnnn1	795333087	SWPQGYCJNVHMNI-UHFFFAOYSA-N	323.150	1.770	50	20	DDGD	
Cc1oc2ncnc(O)c2c1C(=O)NNc1ccc(Cl)nn1	1318938096	ASYSNHSYEBTYRX-UHFFFAOYSA-N	320.696	1.437	50	20	DDGD	
COCCOCCNC(=O)NNc1ccc(C(C)(C)C)nn1	1318939190	SHFJUEWAGOSLFS-UHFFFAOYSA-N	311.386	1.063	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CCC1=O	1319602077	XZDLNGIIHQDQBB-NXEZZACHSA-N	318.377	1.055	50	20	DDGD	
O=C(C[C@@H]1C=CS(=O)(=O)C1)NNc1ncccc1Cl	1322447815	SCOBPKCLZVDPMM-QMMMGPOBSA-N	301.755	1.127	50	20	DDGD	
CCN(CC)C(=O)CNC(=O)/C(C#N)=C/c1ccc(O)cc1	41688894	SMNUAPUNOPLJPT-UKTHLTGXSA-N	301.346	1.284	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1c[nH]c(Br)c1	1321033421	KIDJXEPUKFXDEB-UHFFFAOYSA-N	321.138	1.577	50	20	DDGD	
CCC[C@@H]1C[C@@H](C(=O)NNc2nncc(N)c2Cl)CCO1	1320788422	YLIOFZDHGFDWHI-DTWKUNHWSA-N	313.789	1.751	50	20	DDGD	
COC(=O)c1ccc(C(=O)NC[C@]2(C)C[C@H]2Br)o1	1329079694	KKZGPKDVKUVDIQ-SKDRFNHKSA-N	316.151	1.970	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2C[C@@H](C(=O)OC)C2)c1	1335858304	MONKFEPTFYVBDF-PHIMTYICSA-N	306.318	1.116	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NCCO[C@@H]2CCOC2)nn1	1332913075	ORGIZLMRKOVKFD-LLVKDONJSA-N	323.397	1.206	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@H]2CCCCCN2)cc1	1336992376	AISBMVASPWOTRE-CYBMUJFWSA-N	320.393	1.171	50	20	DDGD	
O=C(CCn1cnnn1)NNc1ccccc1C(F)(F)F	1332040108	UUGAFQKYYSXZRN-UHFFFAOYSA-N	300.244	1.225	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccn(CCC(F)(F)F)n1	1346519745	LCDLRENWMNZGIN-UHFFFAOYSA-N	307.276	1.142	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NC/C=C/C2CC2)cc1	1349522174	OOSFCIVCSRRXFD-NSCUHMNNSA-N	303.362	1.994	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)n1cccc1	1342483375	PFLWTSSJHCWHFN-NSHDSACASA-N	324.381	1.111	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2conc2COC)n1	1346094257	SHQNZYNHNHLXLS-UHFFFAOYSA-N	320.353	1.214	50	20	DDGD	
Cc1c(C(=O)NNc2ncccc2C(=O)O)cnn1CC(C)C	1605076558	IAJPSNZGYRVQQZ-UHFFFAOYSA-N	317.349	1.698	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H]2CCCOCC2)cccc1C(=O)O	1607551907	AVTSNYFBLBETQJ-LLVKDONJSA-N	307.350	1.888	50	20	DDGD	
CC[C@@H](C(=O)O)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	1609886440	MAKDQVXFTNACSM-PSASIEDQSA-N	324.402	1.745	50	20	DDGD	
CC[C@H](C(=O)O)C(=O)NNc1ncccc1C(=O)OC(C)(C)C	1604877795	AXYMIFWRAZYGLJ-VIFPVBQESA-N	323.349	1.591	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cc(C(=O)O)ccc2F)n[nH]1	1600095466	KYZIPZALXAIFII-UHFFFAOYSA-N	321.268	1.022	50	20	DDGD	
O=C(O)[C@@H]1CCN(S(=O)(=O)CCCCl)[C@H]2CCCC[C@@H]21	1601829299	MLYRGWFCOCXSJC-UTUOFQBUSA-N	323.842	1.910	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1cccc(F)c1-c1nn[nH]n1	1606861558	LKRSVNITEDPEPT-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccnc(C(=O)O)c1	1601560824	ANRZMYKHWDROJU-UHFFFAOYSA-N	302.246	1.445	50	20	DDGD	
Cc1cc(NNC(=O)C23CCC(C(=O)O)(CC2)CC3)ncn1	1600283413	QGPIUHBUGHJSGX-UHFFFAOYSA-N	304.350	1.653	50	20	DDGD	
O=C(OC[C@H]1CCCO1)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1610878210	ICWWPNWAFFQWJO-SECBINFHSA-N	311.246	1.987	50	20	DDGD	
O=C(NN=Cc1ccc2ncccc2c1)[C@H]1CN2CCC[C@@H]2CO1	1549317253	WDQKNLAVJMJPDH-NVXWUHKLSA-N	324.384	1.548	50	20	DDGD	
O=C(NN=Cc1cccc2c1CCC2)[C@H]1CN2CCC[C@@H]2CO1	1549316186	RLIZQCAFQSUHOI-NVXWUHKLSA-N	313.401	1.489	50	20	DDGD	
COc1ccc([C@H](CC(=O)O)NS(=O)(=O)CCl)cc1	1610319975	YCPHCXNDWBCBDI-JTQLQIEISA-N	307.755	1.327	50	20	DDGD	
CCC(=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Cl)C2	1801623320	ZKEHGLGQDLOLMM-DKIAZLNASA-N	304.749	1.138	50	20	DDGD	
CCC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)O	1801952545	MJPGZBRWPNWIAI-WJTVCTBASA-N	316.829	1.413	50	20	DDGD	
Cn1nnc2ccc(C(=O)NNc3cccc(C(=O)O)c3)cc21	1610618675	ZJRXLZZINNWYHR-UHFFFAOYSA-N	311.301	1.423	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2ccncn2)C1	1843471127	PJCDQAAQKPBKSE-NSHDSACASA-N	322.796	1.311	50	20	DDGD	
O=C(O)CN1CCC(NC(=O)NNc2ccc(F)cc2)CC1	1595076857	MACCFGRYBLFAGL-UHFFFAOYSA-N	310.329	1.001	50	20	DDGD	
CC[C@H](C)[C@@H](C=NNC(=O)c1cccc(-c2nn[nH]n2)c1)OC	1590401649	WNUWWDYPQOZIKD-GXFFZTMASA-N	316.365	1.643	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)cc(C)c1/C=C(\C#N)C(=O)NC1CC1	1591838937	HOTXDWTYLYOUQQ-KPKJPENVSA-N	308.345	1.669	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@]2(C(=O)O)CC2(C)C)ccc1F	1593882721	SYGVVGFIBBEQEC-HNNXBMFYSA-N	324.308	1.556	50	20	DDGD	
O=C(NCc1ccc(C(=O)O)cc1)NNc1ncccc1F	1594774017	WFSSHDVEKQSBHG-UHFFFAOYSA-N	304.281	1.745	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1cccc(-c2nn[nH]n2)n1	1593167073	GAEJXLYQMHCSIL-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)C1(C(=O)O)CCCCC1	1594689286	JLQGDIMFEKDOJB-UHFFFAOYSA-N	318.373	1.802	50	20	DDGD	
O=C(NN=Cc1ccn([C@H]2C[C@H](C(=O)O)C2)n1)NC1CCCC1	1776040155	WGIXTVSTQBHQAS-MJHDQNEOSA-N	319.365	1.495	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NN=Cc2cc(C(=O)O)co2)c1	1776052186	NLONJBYONNEYBX-UHFFFAOYSA-N	316.273	1.095	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccc(F)cc1)Cc1ccco1	19535809	HCLRXOIYMXKIKO-UHFFFAOYSA-N	305.309	1.312	50	20	DDGD	
CCc1nccn1CC(=O)NNC(=O)Cc1ccccc1C	158392720	VSFGEURVWCJTJU-UHFFFAOYSA-N	300.362	1.144	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc(Cl)c(OC)c2)n1	151938069	NYGCLMNKYNFGTR-UHFFFAOYSA-N	308.725	1.904	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccncc2)cnn1CC(C)C	159926132	RQOGALMXSSMGLQ-UHFFFAOYSA-N	301.350	1.317	50	20	DDGD	
COc1ccc(NNC(=O)C[C@@](C)(O)c2ccccc2)nc1	159565515	CMIPXOIZVDXVMK-MRXNPFEDSA-N	301.346	1.831	50	20	DDGD	
COc1ccc(NNC(=O)Cc2ccc(-n3cccn3)cc2)nc1	159597392	DOPAKFBHDYUUAY-UHFFFAOYSA-N	323.356	1.962	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc(Br)c[nH]1	7378067	KATOARKNXQDIHC-UHFFFAOYSA-N	305.201	1.295	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H](C)OC)cc1	54921881	RJJQSNFHMBYXIT-WDEREUQCSA-N	310.350	1.035	50	20	DDGD	
COCC[C@@H](C)NC(=O)NNC(=O)Cn1ccc2ccccc21	104794618	WRSYAXMPYFLMGN-GFCCVEGCSA-N	318.377	1.397	50	20	DDGD	
COCCCCCNC(=O)NNC(=O)Cc1ccc(F)cc1	58584660	ZQCYROPESZPDJO-UHFFFAOYSA-N	311.357	1.515	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCN(C)C(=O)C2)cc1	172609742	JRKXWUNBWYEEIP-GXDHUFHOSA-N	313.357	1.293	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N(C)C)c(C)cc1Br	119096956	MQMSKARCQVXRDH-UHFFFAOYSA-N	314.183	1.982	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NNC(=O)c1c[nH]c2ccccc12	109150851	LNHFOCPFKMRKRJ-UHFFFAOYSA-N	317.349	1.189	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cc(C)no2)cc1	55707174	GGPUOEKHTNICLI-UHFFFAOYSA-N	303.318	1.385	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)OCC(=O)c2ccc[nH]2)cc(C#N)n1C	10957205	FQGWWSIAOPIGEZ-AWNIVKPZSA-N	322.324	1.866	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)CCCOC)o1	64049188	HZDRGSWDYUAGBR-UHFFFAOYSA-N	311.382	1.309	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)/C=C/c2ccc3c(c2)OCO3)o1	175828723	OUISNNKBFLXWGQ-QPJJXVBHSA-N	314.297	1.791	50	20	DDGD	
O=C(NNc1ncccc1Cl)[C@H]1CC(=O)N(C2CCCC2)C1	114883895	OZYHLRRDNICQMZ-JTQLQIEISA-N	322.796	1.969	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(F)cc(Cl)c2O)n1	177043933	ZGLNRQLJEBVEDE-UHFFFAOYSA-N	312.688	1.740	50	20	DDGD	
O=C(CCc1nc2ccccc2[nH]1)NNC(=O)NC1CCCC1	65920539	UIARTDMPFRVRLT-UHFFFAOYSA-N	315.377	1.769	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CCCC(C)(C)C2)n1	179180909	QUHYDYQLPAZYST-CYBMUJFWSA-N	306.410	1.864	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cccn1Cc1cccs1	65191700	ANKDIZTUSNUOSO-UHFFFAOYSA-N	318.402	1.952	50	20	DDGD	
Cc1cccc(O[C@H](C)CNC(=O)NNC(=O)c2ccc[nH]2)c1	176049530	AVCDRYSOTYSOGH-GFCCVEGCSA-N	316.361	1.735	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c1	302854726	IRXDDPKZANGLQH-HUBLWGQQSA-N	301.390	1.950	50	20	DDGD	
C=CCC(CC=C)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	121656222	HWJYKWFTBVDOKV-UHFFFAOYSA-N	316.357	1.987	50	20	DDGD	
CC[C@H](C)C(=O)NNc1nc(Br)cn2ccnc12	176189975	SZLSGYSQMCHTHJ-ZETCQYMHSA-N	312.171	1.981	50	20	DDGD	
C[C@@H]1CCC[C@H]1NC(=O)NNC(=O)COCc1ccccc1	125917447	BYGKSCCUKOMQMA-TZMCWYRMSA-N	305.378	1.722	50	20	DDGD	
O=S(=O)(CBr)N(Cc1cccnc1)C1CC1	127140315	NILPIJTVTFDIIS-UHFFFAOYSA-N	305.197	1.728	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)CSc1nnnn1C1CC1	184290204	SYRKOCYXAKSSBD-UHFFFAOYSA-N	322.369	1.691	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2CCCC[C@H](C)C2)n1	187906515	ONPHZWKKVUWERW-NSHDSACASA-N	324.450	1.263	50	20	DDGD	
C[C@@H](NC(=O)NNc1c(F)cccc1Cl)c1nncn1C	184750405	VURBAZCOFZHHBW-SSDOTTSWSA-N	312.736	1.995	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1ccc(F)c(F)c1F	77708856	POENTZMGROPIRR-UHFFFAOYSA-N	310.297	1.460	50	20	DDGD	
CC(C)CONC(=O)NNC(=O)Cc1c[nH]c2ccccc12	121053809	RSLADTHFXVYBBY-UHFFFAOYSA-N	304.350	1.628	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)c1cccc2nn[nH]c12	187728118	KMZOJVXAEFOAOF-UHFFFAOYSA-N	323.356	1.742	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)c2ccc(Cl)cc2OC)cn1	74690780	UCFSVSFDAMUNGA-UHFFFAOYSA-N	322.752	1.640	50	20	DDGD	
C[C@@H](C1CC1)n1cc(NC(=O)NNC(=O)c2ccc[nH]2)cn1	189651044	SVRHQYVTMXZWSQ-VIFPVBQESA-N	302.338	1.649	50	20	DDGD	
C[C@H](NC(=O)OCc1ccccc1)C(=O)NNc1ccncc1	180506406	HGAKFBRGKCSTBN-LBPRGKRZSA-N	314.345	1.840	50	20	DDGD	
O=C(CN1CCC[C@@H]1c1ccncc1)NNC(=O)c1ccccc1	180197021	BNTYDCYNLHEZJB-MRXNPFEDSA-N	324.384	1.680	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cccc(F)c2)nc(C)n1	130404110	ZXAUNONIQYBZEE-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2ccccn2)cc1F	198899589	ABFWYMQIYOBMMY-UHFFFAOYSA-N	317.320	1.623	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc(CC#N)cc1)C1CC1	89421398	CQZXKMBNKLVLSO-SNVBAGLBSA-N	302.403	1.660	50	20	DDGD	
C[C@@H](CN1CCCCC1)NC(=O)NNc1nc2ccccn2n1	191002829	TVOILBCZWILXIF-LBPRGKRZSA-N	317.397	1.230	50	20	DDGD	
CNC(=O)NNC(=O)c1ccccc1NC(=O)c1cccs1	148595096	CYPSEUYMOLTNFV-UHFFFAOYSA-N	318.358	1.574	50	20	DDGD	
CCOc1cccc2[nH]cc(CC(=O)NNC(=O)C(C)(C)O)c12	192933031	GBDJEKMKJDRCGN-UHFFFAOYSA-N	319.361	1.027	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)NC2CCCC2)c(C(C)C)n1	265329523	SXZRYDXXYKZXJV-UHFFFAOYSA-N	305.382	1.795	50	20	DDGD	
CN(C)C(=O)c1cccc(OS(=O)(=O)CBr)c1	272786192	IOTRJKHCPLDAMZ-UHFFFAOYSA-N	322.180	1.449	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNC(=O)C1CCC1)c1ccsc1	264688683	CWJUBZPECNGKHT-LBPRGKRZSA-N	310.423	1.481	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCC23CCC(CC2)C3)n1	369099810	JXIDKAOWYROCLF-UHFFFAOYSA-N	302.378	1.914	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)C[C@@H]2CCCCO2)cc1	267935898	QXPXLVVISKMLMS-AWEZNQCLSA-N	317.345	1.044	50	20	DDGD	
COc1cccc(S(=O)(=O)CCN2CC=C(C#N)CC2)c1	272640267	LPDRUCHMNHILDY-UHFFFAOYSA-N	306.387	1.625	50	20	DDGD	
COc1cc(C(=O)NNc2nnc(C3CC3)s2)ccc1O	275969086	JLDZKSXGNXKFIM-UHFFFAOYSA-N	306.347	1.887	50	20	DDGD	
CCCC(O)(CCC)CC(=O)NNC(=O)c1cccc(C)n1	279745662	BNTIMHDBLAJSRC-UHFFFAOYSA-N	307.394	1.872	50	20	DDGD	
CCOc1cccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)c1	274058936	KTFOOPWBOYMPJG-UHFFFAOYSA-N	321.377	1.607	50	20	DDGD	
C=C(C)[C@H](CC(=O)NNC(=O)Cn1nc(C)cc1C)OCC	270138304	QZOMTQQZZDEUTO-ZDUSSCGKSA-N	308.382	1.019	50	20	DDGD	
Cc1noc(C(C)C)c1C(=O)NNc1cc(Cl)nc(N)n1	273481352	LCOKYEANGANVEH-UHFFFAOYSA-N	310.745	1.889	50	20	DDGD	
CCCSCC(=O)NNc1ncc(C(=O)OCC)c(C)n1	272231270	VPUUSBGJQDSSAD-UHFFFAOYSA-N	312.395	1.548	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)c1c[nH]c2ccccc12	282827448	ZCTRMIDTQLXTQI-IMSIIYSGSA-N	301.346	1.742	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2noc3c2CCCC3)o1	288844332	NPOZPZFPUINOHH-UHFFFAOYSA-N	318.333	1.599	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(C)nc2onc(C(C)C)c12	286350050	MJRMGMLULXSRIR-UHFFFAOYSA-N	306.322	1.998	50	20	DDGD	
CC(C)Oc1ccccc1C(=O)NNC(=O)N1CCN(C)CC1	282873643	IQSVPTQKQVWLMG-UHFFFAOYSA-N	320.393	1.076	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H]1CCc2[nH]ncc2C1	288391912	AHZQPNIMQGRJRU-SNVBAGLBSA-N	315.333	1.875	50	20	DDGD	
COCCCn1nccc1/C=C(\C#N)C(=O)O[C@@H](C)COC	282673647	PIHNYJXCTLCJGT-OQZOHAQUSA-N	307.350	1.405	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)Nc1cc(F)cc(F)c1)OC	297214153	VRHZWBHQVJFRSD-LLVKDONJSA-N	316.308	1.726	50	20	DDGD	
CN(C)C1(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)CCC1	803429516	BPDIAQKBSBJHIW-UHFFFAOYSA-N	300.362	1.456	50	20	DDGD	
CC(C)c1scnc1C(=O)NNc1ncnc2nc[nH]c12	290385247	COLWNAJYGRINEX-UHFFFAOYSA-N	303.351	1.690	50	20	DDGD	
CCc1nnc(CNC(=O)NNc2cccc([N+](=O)[O-])c2)s1	291455098	LMBKHHQBDWLWAR-UHFFFAOYSA-N	322.350	1.835	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)c1c[nH]c2ccccc12)C1CC1	290924022	IAFORUIJFWMDDP-MRXNPFEDSA-N	301.346	1.744	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN(C)[C@H](C)C(C)C	297992413	XDKQNMLISPDDPQ-CQSZACIVSA-N	305.422	1.661	50	20	DDGD	
COCC(=O)NNc1cc(C(=O)OC)ccc1Br	293859006	BXRUESBTBZHIRC-UHFFFAOYSA-N	317.139	1.325	50	20	DDGD	
O=C(NNc1ncncc1F)C1CCN(CC(F)F)CC1	294072020	QIALSKVKMJXNBB-UHFFFAOYSA-N	303.288	1.036	50	20	DDGD	
COc1ccncc1CNC(=O)NNc1nc(C)cc(C)n1	294352627	USUNRVBCBWCEIP-UHFFFAOYSA-N	302.338	1.323	50	20	DDGD	
Cc1ccc(NCCCNC(=O)NNC(=O)OC(C)(C)C)nc1	298707425	YKEIOHDBJKSRBS-UHFFFAOYSA-N	323.397	1.931	50	20	DDGD	
CC(C)(C(=O)NN=c1cc[nH]c2ccccc12)N1CCOCC1	806811794	UTPSHJHRWRKYCY-UHFFFAOYSA-N	314.389	1.211	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)Nc1cc(F)cc(F)c1	802002575	SQTBVOPRQPHMBO-MRVPVSSYSA-N	301.293	1.790	50	20	DDGD	
O=C(NCc1ccc2c(c1)OCCCO2)NNc1ccncn1	296416189	RTKABSHXLDVRQN-UHFFFAOYSA-N	315.333	1.464	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)C(=O)NNC(=O)Nc1ccccc1	801991567	SNZHTNCIVIIAGJ-SECBINFHSA-N	301.350	1.983	50	20	DDGD	
CC(C)O[C@H](C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)c1ccccc1	294086864	CRUHXPSOVMEZQS-QEJZJMRPSA-N	320.389	1.868	50	20	DDGD	
CCOC(=O)Oc1ccc(C(=O)NN=c2cc[nH]cc2)cc1	800531444	FIVHUUGAYBGSDY-UHFFFAOYSA-N	301.302	1.796	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cccc(C#N)n2)c(C)c1	810006284	IKCXKUOMPJTKEB-UHFFFAOYSA-N	323.356	1.443	50	20	DDGD	
Cc1oc(-c2ccsc2)nc1CC(=O)NNc1cnnn1C	816769416	HDYOEHGTPPKXHL-UHFFFAOYSA-N	318.362	1.526	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H](C)[C@H](C)COC)n1	812532623	AATOHTJGGKPXSQ-NEPJUHHUSA-N	309.414	1.685	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)Cc2cc[nH]n2)c2c(O)ccc(F)c21	814954253	CBWJJVLPQIABFT-MRVPVSSYSA-N	302.309	1.825	50	20	DDGD	
O=C(NNc1ncncc1F)c1cnnc(-c2ccccc2)c1	817079778	LHSIAFMRNNQGKI-UHFFFAOYSA-N	310.292	1.830	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1csc(Cc2ccccc2F)n1	816633980	UJJADXANAKUKJN-UHFFFAOYSA-N	318.337	1.748	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2ccncn2)cc1C	812719014	CUFKJUJUSYGQNN-UHFFFAOYSA-N	300.318	1.719	50	20	DDGD	
C[C@H](Sc1nnnn1C1CC1)C(=O)N(C)CC(Cl)Cl	819843760	SMABCGIIFITPCC-LURJTMIESA-N	324.237	1.751	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NN=Cc1nccs1	814743438	GTSOCMNJSOFNRQ-UHFFFAOYSA-N	306.303	1.580	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1	816769480	KJTSIRULAPSXSZ-UHFFFAOYSA-N	310.317	1.131	50	20	DDGD	
O=C(NN=C1COc2ccccc21)c1cc([N+](=O)[O-])ccc1O	814858256	QRIGKHNGJDPHLS-UHFFFAOYSA-N	313.269	1.827	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@H]2CCCOC2)c1	819036765	GXKZHYWWFXLUEY-JTQLQIEISA-N	311.382	1.878	50	20	DDGD	
CC(=O)NNC(=O)CCc1nnc(-c2cc3ccccc3o2)o1	726190720	WXIVIAZMABEXAE-UHFFFAOYSA-N	314.301	1.583	50	20	DDGD	
C[C@]1(C(=O)NNc2cccc(C(F)(F)F)c2)CCNC1=O	821142512	DZAWTUHNAQRORO-LBPRGKRZSA-N	301.268	1.675	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)C1CC(O)(c2cccc(Cl)c2)C1	823907707	OTHOLRXFHUZCBH-NLTNOIMHSA-N	312.797	1.281	50	20	DDGD	
COC[C@@H](OC)C(=O)NNC(=O)Cc1cccc2ccccc12	820191192	QZQUHQVKHBEQGC-OAHLLOKOSA-N	316.357	1.191	50	20	DDGD	
CCOC(=O)[C@H]1CCCCN1C(=O)/C(C#N)=C/c1cnn(C)c1	491010098	LHBXOWVHDISVAH-MAUPQMMJSA-N	316.361	1.271	50	20	DDGD	
CCOC(=O)NNC(=O)Cc1ccc(OC)c(OC)c1Cl	496245632	LDZOSGFYTSGUTO-UHFFFAOYSA-N	316.741	1.677	50	20	DDGD	
C[C@@H]1[C@@H](C(=O)NNc2cnccn2)CCN1C(=O)OC(C)(C)C	492672811	LXNQQZPJLZGKER-MNOVXSKESA-N	321.381	1.565	50	20	DDGD	
C#C[C@@H](C)NC(=O)NNC(=O)[C@H](C)Oc1ccc(OCC)cc1	820441859	YMOYWPWPODXZDB-NEPJUHHUSA-N	319.361	1.205	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccn2cc(C(F)(F)F)nc2c1	824627016	GUFOWBSSMICBAE-UHFFFAOYSA-N	315.255	1.269	50	20	DDGD	
Cc1cc(C)c(NNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c(C)c1	826263692	MQDLXLMPOUAWDN-UHFFFAOYSA-N	311.349	1.877	50	20	DDGD	
CCC[C@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)N(C)C	825226195	YWKFEFIBHZXLLY-GFCCVEGCSA-N	303.370	1.040	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C	492329043	PNJLPTGIQGSQLJ-QWRGUYRKSA-N	313.398	1.435	50	20	DDGD	
CC[C@H](C)[C@H](C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	825052188	VQRQNDDVYKYGAH-UWVGGRQHSA-N	316.365	1.310	50	20	DDGD	
CCCN(CC(=O)NNC(=O)C(C)C)Cc1ccc(C#N)cc1	827411161	KDRDSERQPMUQSZ-UHFFFAOYSA-N	316.405	1.574	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1	496977247	IVXAQHHXHURBOF-DTORHVGOSA-N	301.343	1.019	50	20	DDGD	
CCOC(=O)C1CCC(=NNC(=O)Cc2cccnc2)CC1	728786694	TWGJPNFHEXVHRF-UHFFFAOYSA-N	303.362	1.850	50	20	DDGD	
O=C(N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12)c1cc(B(O)O)ccc1F	584935341	HIAMUZIKLZTVNU-ZUZHRZSZSA-N	317.169	1.060	50	20	DDGD	
Cc1n[nH]c(C)c1C=NNC(=O)CCNC(=O)OC(C)(C)C	495277230	TUNMBKVPPGKUGB-UHFFFAOYSA-N	309.370	1.391	50	20	DDGD	
COC[C@H](NC(=O)NNc1cccc(-c2nn[nH]n2)c1)C(C)C	821682540	IGIYIUQGXZNXNP-LBPRGKRZSA-N	319.369	1.164	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)CCN1CCCCCC1	491351233	SQERZZXUKIASAS-UHFFFAOYSA-N	301.394	1.233	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCC[C@@H](Cc2ccccc2)C1	584942722	VTJFHBUKWNBQFN-INIZCTEOSA-N	323.201	1.461	50	20	DDGD	
CO[C@@H]1COCC[C@H]1CNC(=O)/C(C#N)=C\c1ccc(F)cc1	491101872	GKZFKMAXSJLTNL-ZKUVKCCHSA-N	318.348	1.900	50	20	DDGD	
C[C@@H]1OC(=O)N[C@@H]1C(=O)NNc1cc(C(F)(F)F)ccc1F	496243662	GRHXUWAAUPDVCZ-CDUCUWFYSA-N	321.230	1.785	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)c2ccc[nH]2)nn1-c1ccccc1	735463992	KMSWLZMRWYTQPW-UHFFFAOYSA-N	324.344	1.233	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccccn1)N(C)C(=O)OC(C)(C)C	497137607	RRTPPKFSLNWPGO-JTQLQIEISA-N	322.365	1.098	50	20	DDGD	
O=C1CSc2ncc(C(=O)NCC(Cl)Cl)cc2N1	837650117	PGKHPUMDKFAVDD-UHFFFAOYSA-N	306.174	1.659	50	20	DDGD	
C=CCC[C@@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)OCC	491160432	LGWYKDKJINXHGZ-YLHGKKIISA-N	316.361	1.341	50	20	DDGD	
O=C(NNc1ccc(Br)nc1)c1cnsn1	732838535	RVLHCHWSQSPJQQ-UHFFFAOYSA-N	300.141	1.453	50	20	DDGD	
Cc1ccsc1CN(C(=O)c1cccc(B(O)O)c1)C(C)C	584932573	AATODBUYLXIDTC-UHFFFAOYSA-N	317.219	1.787	50	20	DDGD	
COC(=O)COc1ccc([C@@H](C)NS(=O)(=O)CCl)cc1	831120675	IRRBXBHCVYICER-SECBINFHSA-N	321.782	1.415	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)Cc1cn(C)nc1C	832007183	IWMCDWPBVRDPAN-UHFFFAOYSA-N	303.322	1.631	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)[C@@H](C)C(C)(C)C)C[C@@H](C)O1	734542903	LEJQAZPMNXMDNH-FRRDWIJNSA-N	313.442	1.315	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@]1(CC(=O)O)CCOC1	909698565	LRLCDTOYOZOPNU-SKDRFNHKSA-N	322.199	1.546	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H](O)c1ccccc1C(F)(F)F	900220537	AWJVOYDJPTTZLY-SNVBAGLBSA-N	318.295	1.932	50	20	DDGD	
CC[C@@](C)(CNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)OC	838662056	YQVCIGWSFBFLGB-AWEZNQCLSA-N	324.337	1.354	50	20	DDGD	
CC(C)OCc1ccccc1CNCc1ccccc1B(O)O	585020002	UUTSMBPQIWSLJM-UHFFFAOYSA-N	313.206	1.581	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)[C@@H]2CCCCO2)CCc2ccccc2C1	833246699	PVLHJKMMRQWMHC-MAUKXSAKSA-N	316.401	1.898	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1ncnc2sccc12	735412823	JBXNBXUQZRRKGS-ZETCQYMHSA-N	310.404	1.729	50	20	DDGD	
CC(C)C(NCC(=O)NNC(=O)c1ccc(C#N)cc1)C(C)C	839545340	QZCVXTACOSMJLW-UHFFFAOYSA-N	316.405	1.589	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)c1nccs1	732622751	WMAZBYQKNCCAGM-UHFFFAOYSA-N	308.388	1.475	50	20	DDGD	
Cn1cc(-c2nc(C(=O)NNC(=O)C3CCC3)cs2)cn1	732142589	YTVPNHAUUPKTNZ-UHFFFAOYSA-N	305.363	1.105	50	20	DDGD	
CC[C@H](C)c1csc(N(C)C(=O)c2ccc(B(O)O)cc2)n1	584944210	PWOBTILSOFAJPP-JTQLQIEISA-N	318.207	1.613	50	20	DDGD	
CCO[C@@H]1COC[C@H]1NC(=O)NNc1c(F)cccc1Cl	838718770	DLBXNMUMANQJNR-GHMZBOCLSA-N	317.748	1.909	50	20	DDGD	
O=C(NNc1cccc(Br)n1)NOCC1CC1	838613971	KHIHWUMDTCWMND-UHFFFAOYSA-N	301.144	1.812	50	20	DDGD	
Cc1cc(C(=O)NN=C2CCN(CCCC(=O)O)CC2)c(C)o1	738332914	RSELHFJEVPHICG-UHFFFAOYSA-N	321.377	1.943	50	20	DDGD	
CO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2)C12CCC2	838768789	RNLKQZDVWDHMPQ-CHWSQXEVSA-N	303.362	1.588	50	20	DDGD	
C=CCC1(CNC(=O)NNC(=O)N=c2cc[nH]cc2)CCCC1	836635130	PHJNYOOLVVJTHQ-UHFFFAOYSA-N	317.393	1.976	50	20	DDGD	
CCO[C@@H]1COC[C@H]1NC(=O)NNc1c(F)cccc1F	838719347	MFEUCFYIUALKOF-GHMZBOCLSA-N	301.293	1.395	50	20	DDGD	
C[C@H]1C[C@H]1CNC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836219084	BMHIBBJEHXFULL-IUCAKERBSA-N	306.322	1.407	50	20	DDGD	
COC[C@@]1(CO)CCN(/C(=C\C#N)c2cccc([N+](=O)[O-])c2)C1	832390569	XLSKDYIBVXKALQ-DNBBOTNYSA-N	317.345	1.790	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cnc2cc[nH]c2c1)C1CC1	912161691	SSAOCHPZNYIHCK-QMMMGPOBSA-N	303.391	1.470	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1cn2ccccc2n1)c1ccco1	746556346	UFHQZOIHXNNAJX-NSHDSACASA-N	312.329	1.421	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(F)cc1Cl)C(=O)N(C)C	914169379	RUJFJZBECOSXDZ-SSDOTTSWSA-N	302.737	1.582	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)c2cncs2)c1	744627511	PMPFPQCHCLGKBY-UHFFFAOYSA-N	319.342	1.070	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)CNc1ccccc1OC	846627471	BCTXUZZADHRKDQ-UHFFFAOYSA-N	316.361	1.459	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)Cc2ccc(F)cc2)CS1	840420301	ZLSKYBMJHAUUPQ-BXKDBHETSA-N	311.382	1.593	50	20	DDGD	
CC(C)(C(=O)NNc1ncc(Br)cn1)C(F)F	848321905	IPUMXWVBRRSGMW-UHFFFAOYSA-N	309.114	1.974	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc2sc(N(C)C)nc2s1	910171644	ZFNHLQIWOVERNU-SSDOTTSWSA-N	314.436	1.381	50	20	DDGD	
CCNCCNC(=O)NNC(=O)c1cc2c(s1)CCCCC2	841934599	BYFMOWSCHVTLJU-UHFFFAOYSA-N	324.450	1.571	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCCC(F)(F)F)c1	743588917	CAZINZMSSAKPBR-UHFFFAOYSA-N	300.240	1.455	50	20	DDGD	
CC(=O)CCc1ccc(O[C@H](C)C(=O)NN(C)C[C@@H](C)O)cc1	910170375	ZUEYZJOSGTUGCQ-ZIAGYGMSSA-N	322.405	1.319	50	20	DDGD	
Cc1cc2c(cc1C)[C@H](C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)CO2	843653999	FEGCLJAPHOYSSD-MBNYWOFBSA-N	318.373	1.352	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cc(-c2ccncc2)on1	918703795	KTYRSCUZCOLYJS-UHFFFAOYSA-N	314.223	1.450	50	20	DDGD	
CC(=NNC(=O)Cn1nc(C)cc1C)c1cnc(C)nc1C	741454798	GSJLCVRVEYSPKS-UHFFFAOYSA-N	300.366	1.447	50	20	DDGD	
Cc1noc(C(F)(F)F)c1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843651642	DZYAFNXCKGXSFO-BQBZGAKWSA-N	321.255	1.188	50	20	DDGD	
CC(C)[C@@H](N)CNC(=O)NNC(=O)C(C)(C)c1ccccc1	841944202	CVLZHFZZRWOABE-ZDUSSCGKSA-N	306.410	1.278	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNc1nc(C(F)(F)F)cs1	846639001	KFLSUGMKYUHLLI-UHFFFAOYSA-N	324.328	1.767	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc2ccncc2c1	845299301	ZAKFEPVMGXBTBO-UHFFFAOYSA-N	302.334	1.215	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@H](C(=O)OC)[C@@H]1CCC[C@@H](OC)C1	844267338	BSLVPRMHBMCBHK-ITJLTHJNSA-N	324.377	1.293	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1CC(c2ccc(F)cc2)C1	843662763	UZBDEMHIOXXJBK-LAKVINJISA-N	320.364	1.892	50	20	DDGD	
CC(C)[C@@H](NC1CCOCC1)C(=O)NNC(=O)C1CCCC1	743304567	JLVHNZYQQUKQNM-CQSZACIVSA-N	311.426	1.117	50	20	DDGD	
O=C(NN=C1CCCC[C@@H]1N1CCCCC1)c1ncccn1	841664120	HROYLCRNZBBLHE-AWEZNQCLSA-N	301.394	1.991	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C1CCN(CC(F)(F)F)CC1	915657913	OQUSZMRTQWVASV-UHFFFAOYSA-N	309.332	1.454	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N[C@H](CN)C1CC1)c1ccccc1	841945577	SARYVDUSNCUNOT-ZIAGYGMSSA-N	304.394	1.248	50	20	DDGD	
CCC(CC)(CO)C(=O)NNC(=O)COc1cc(C)ccc1C	847286986	IXIFHNIRZRPIBW-UHFFFAOYSA-N	322.405	1.628	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H](C(=O)OC(C)(C)C)C(C)C)n1	843764882	OZXDSVOBWGMJFM-LLVKDONJSA-N	324.381	1.542	50	20	DDGD	
N#Cc1cccc(NNC(=O)NCC[C@]2(O)CCCOC2)c1	845718157	IRKBXGBPOLBLIR-OAHLLOKOSA-N	304.350	1.116	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C[C@H](C)CC(=O)OC)cc1	846657878	HFYHYVXWFQLWFH-NSHDSACASA-N	322.361	1.435	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccc(NC3CC3)nc2)n1	740112965	UXZPOIDSJLFJIW-UHFFFAOYSA-N	313.365	1.269	50	20	DDGD	
NS(=O)(=O)CCCCCC(=O)NNc1ccccc1F	845855469	UETAASQVDPIZSB-UHFFFAOYSA-N	303.359	1.118	50	20	DDGD	
CO[C@H](CC(=O)NNC(=O)c1ccccc1O)C(F)(F)F	846627740	HSVBCUUUWMYTNV-SECBINFHSA-N	306.240	1.121	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@@H]1CCCNCC1	841975743	ASNPKMOAYAKAIH-CQSZACIVSA-N	304.394	1.010	50	20	DDGD	
O=C(NCc1noc2ccccc12)NNC(=O)[C@H]1CCCCO1	847475332	HBTXFJZYEJRWHW-CYBMUJFWSA-N	318.333	1.227	50	20	DDGD	
O=C(NCC[C@@]1(O)CCCOC1)NNc1ccccc1Cl	845718081	HKXMWQUMKOMCJA-AWEZNQCLSA-N	313.785	1.898	50	20	DDGD	
CN1CCCC(=NNC(=O)c2nnc(O)c3ccccc23)CC1	758099773	NIGBWTZRILVVGB-UHFFFAOYSA-N	313.361	1.537	50	20	DDGD	
CC(C)(O)C(C)(C)CNC(=O)NNc1ncc(Cl)cn1	856913272	HHBSHGAMTXLYCS-UHFFFAOYSA-N	301.778	1.553	50	20	DDGD	
CC(Cc1ccccc1C)=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	853389012	UCQCYOJHRHKQPG-SJORKVTESA-N	315.417	1.893	50	20	DDGD	
O=C(NNc1cc(F)cc(Cl)c1)[C@@H]1CCS(=O)(=O)C1	855619343	IOECZAYPNSUATB-SSDOTTSWSA-N	306.746	1.357	50	20	DDGD	
COC(=O)N(C)N=C1CCN(c2ccc([N+](=O)[O-])nc2)CC1	853343911	XLMQIHIPOUXUTN-UHFFFAOYSA-N	307.310	1.644	50	20	DDGD	
Cc1ccc(NNC(=O)CC[C@H]2NC(=O)NC2=O)c(Cl)c1	854843264	LVHRPPWJZCEGNO-SNVBAGLBSA-N	310.741	1.080	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2CCCCS2(=O)=O)C[C@H]1Br	857393470	GTFWBXPYGJDIMF-FXPVBKGRSA-N	324.240	1.243	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNC(=S)NCC2CCC2)ccn1	759804397	SNRLVXPUKMWSPU-UHFFFAOYSA-N	322.434	1.778	50	20	DDGD	
COc1cccc2c1OCC(C(=O)NNC(=O)C1CCCC1)=C2	751080522	HNGVIIIHFKSWFZ-UHFFFAOYSA-N	316.357	1.809	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H](NC(=O)NNc2c(F)cc(F)cc2F)C1	922791020	LZLJVUSGSUBTHI-SVRRBLITSA-N	316.283	1.384	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)C2CCCC2)C[C@H](C(F)(F)F)O1	753339567	KISKFXJPBFMIQJ-PSASIEDQSA-N	323.315	1.569	50	20	DDGD	
O=Cc1ccc(F)c(C(=O)NNC(=O)NC2CCCCC2)c1	858130486	NSLJKEUWVLHLDP-UHFFFAOYSA-N	307.325	1.915	50	20	DDGD	
C[C@H](CCc1ccccc1)NC(=O)NNC(=O)c1cn[nH]c1	858088042	YVKKVYQFPZPDHH-LLVKDONJSA-N	301.350	1.375	50	20	DDGD	
CC1=NO[C@@H](CNC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)C1	854789529	CGOQBTFTXNAZIV-KSKAUBAUSA-N	311.345	1.393	50	20	DDGD	
C#CCOCCNC(=O)NNC(=O)CSc1ccc(C)cc1	753383586	SMBYUGPSZUJLHV-UHFFFAOYSA-N	321.402	1.067	50	20	DDGD	
Cc1nn(C(C)C)cc1C(=O)NNC(=S)N[C@@H](C)C1CC1	855096608	YTQOJXBUXGRMLF-VIFPVBQESA-N	309.439	1.680	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N1C[C@@H](C)[C@@H](C)C1	752000346	RTZASTUNPVXFCZ-PHIMTYICSA-N	315.377	1.585	50	20	DDGD	
CCc1ccc([C@@H](C)C(=O)NNC(=O)Cc2cc[nH]n2)cc1	755287050	VBXJUSPFWFJUQN-LLVKDONJSA-N	300.362	1.466	50	20	DDGD	
C=CCCn1cc(C(=O)NC[C@@]2(C)C[C@@H]2Br)nn1	857386349	UBHMSEPJSBKVTQ-CMPLNLGQSA-N	313.199	1.758	50	20	DDGD	
CC(C)COc1cccc(C(=O)NNC(=O)c2cc[nH]n2)c1	855362068	MUWFKGQPPAPLEO-UHFFFAOYSA-N	302.334	1.519	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)c1ccccn1	750945108	FJCLFWALMBFKJE-UHFFFAOYSA-N	302.359	1.413	50	20	DDGD	
O=C(NCC1CC=CC1)NNC(=O)[C@@H]1COc2ccccc2O1	858717929	JMPJWWGGLCZAJA-AWEZNQCLSA-N	317.345	1.123	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2Cc3cccc(O)c3C2)o1	759459861	FSTADLNILIDJDZ-LLVKDONJSA-N	315.329	1.405	50	20	DDGD	
C[C@H]1CC=C(C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)CC1	855825845	NMZJODTXVPTYGH-LBPRGKRZSA-N	323.437	1.823	50	20	DDGD	
N#CSCCCNC(=O)c1ccc(N2C(=O)CCC2=O)cc1	854363511	CHJZNYROMGPWTD-UHFFFAOYSA-N	317.370	1.674	50	20	DDGD	
C[C@]1(CNC(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1Br	857399946	SVOARSOWFHHEAY-PSASIEDQSA-N	317.143	1.081	50	20	DDGD	
Cn1cc(N2C[C@@H](C(=O)NCC(Cl)Cl)CCC2=O)cn1	935968158	OAMMHRVXNGKAEX-QMMMGPOBSA-N	319.192	1.083	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)Cc1ccccc1C	859784392	NWXCEXUXQRRLDM-STQMWFEESA-N	320.389	1.663	50	20	DDGD	
COC(=O)C[C@@H]1COCCN1C[C@@H](CBr)C1CC1	859304518	DYLQZZKNMXAYRP-VXGBXAGGSA-N	320.227	1.671	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1cccc2c1CCCC2	755391049	AGKMDLMXMCZCGA-UHFFFAOYSA-N	311.345	1.822	50	20	DDGD	
CCc1ccc(CCC=NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1	758099443	LGJYKSACFJAAMT-OAHLLOKOSA-N	322.430	1.718	50	20	DDGD	
Cc1c(C(=O)NNC(=S)N[C@H](C)C2CC2)cnn1C(C)(C)C	855103287	UCGZCVCRWIIQIB-SECBINFHSA-N	323.466	1.854	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NOCC(F)(F)F	765990264	QYKOKNHACCMKBS-UHFFFAOYSA-N	309.219	1.193	50	20	DDGD	
O=C(NCC1CC1)NN=Cc1n[nH]c2cc(C(=O)O)ccc12	765573449	ZCGXILWVXIOSKZ-UHFFFAOYSA-N	301.306	1.304	50	20	DDGD	
C[C@H]1N(C(=O)NNC(=O)c2ccc(C#N)cc2)CCOC1(C)C	763603179	GLACKPSRVQUOGN-LLVKDONJSA-N	316.361	1.412	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NC[C@@H](CO)Cc1ccco1	866828859	CPHVWGXOVOGJJN-NSHDSACASA-N	323.842	1.615	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1ncc2n1CCCC2	864515731	CVHYKERPSQHMJU-UHFFFAOYSA-N	316.336	1.362	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCSC(CC)(CC)C1	766986246	FAVLZGLZFZJNPA-LLVKDONJSA-N	301.456	1.540	50	20	DDGD	
Cn1c(NNC(=O)[C@H]2CCSC2)nc2ccccc2c1=O	762216304	UCRZVCNXIQEYEO-VIFPVBQESA-N	304.375	1.130	50	20	DDGD	
C[C@@H](CCc1ccc(F)cc1)C(=O)NNC(=O)c1ncccn1	868894366	QESFOWKWEYDEJA-NSHDSACASA-N	316.336	1.646	50	20	DDGD	
CCn1ncc(C(=O)NNc2ccc(C(=O)OC)cn2)c1C	867016137	OWVCVUORGAUSFW-UHFFFAOYSA-N	303.322	1.150	50	20	DDGD	
COCCOC[C@@H](C)NC(=O)[C@@H](Br)C(C)(C)C	768188937	WFHMBZRYOAHIEK-NXEZZACHSA-N	310.232	1.964	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H]2CCSC2)c1	761783741	BDAJJHMOFCGXSL-GFCCVEGCSA-N	308.403	1.583	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H]1CCN1C(C)(C)C	862994478	VIVOZLZJBBXOFW-GFCCVEGCSA-N	305.378	1.329	50	20	DDGD	
Cn1nc2c(c1C(=O)NNC(=O)c1ccc(C#N)cc1)CCCC2	765336628	LFPRDIPEHQQAHH-UHFFFAOYSA-N	323.356	1.245	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NC1(CO)CCOCC1	768390781	SWZINTIQWIXMIF-SECBINFHSA-N	308.216	1.454	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)Nc1ccsc1	762955961	DIFBYVKJWXGXGW-UHFFFAOYSA-N	307.331	1.685	50	20	DDGD	
CCN(CC(=O)NNc1ccc(Br)nc1)C1CC1	764234529	GFWBJJROTZQYBZ-UHFFFAOYSA-N	313.199	1.772	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN1C1CCCC1)NC1CCCCC1	864392415	NMOYPPICBDXDOW-AWEZNQCLSA-N	308.426	1.666	50	20	DDGD	
Cc1cc(C(=O)NN=C2CN(Cc3ccccc3)C[C@@H]2C)n[nH]1	764797184	NYWIQISIXJOOJX-LBPRGKRZSA-N	311.389	1.956	50	20	DDGD	
Cn1nc2c(c1C(=O)NN=c1cc[nH]cc1Cl)CCCC2	768230337	JZQGSYDXKPXSLR-UHFFFAOYSA-N	305.769	1.526	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1cnc(C2CC2)[nH]1	1119045385	ZGZROEWHXAKLHK-UHFFFAOYSA-N	318.308	1.970	50	20	DDGD	
CCc1c(NC(=O)NNC(=O)CCO)cnn1CCC(C)C	1116777388	MWTXOKUVSMAJKW-UHFFFAOYSA-N	311.386	1.027	50	20	DDGD	
C[C@H](CC(=O)OC(C)(C)C)NC(=O)NNc1ccc(F)cn1	1116016670	ZSTAPDSALYLTHW-SECBINFHSA-N	312.345	1.967	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNC(=S)Nc1cc(C)ccc1C	873756385	GQXRMGCXODDQEO-UHFFFAOYSA-N	323.418	1.963	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2CCC=CCC2)cc1	873821344	JROCNKQCIRKLRG-UHFFFAOYSA-N	315.373	1.827	50	20	DDGD	
CSC(C)(C)C(=O)NNC(=O)c1ccc(Cl)cc1O	1118754044	GGRTWHGLRQJBFC-UHFFFAOYSA-N	302.783	1.948	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cc(Cl)ccc2O)ccn1	1115852945	SUNIYWJJLWYTLV-UHFFFAOYSA-N	321.720	1.524	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1c[nH]nc1-c1ccccc1F	779818372	PQBAOJQXLVABJM-UHFFFAOYSA-N	319.296	1.022	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CNC(=O)CCC(C)C)cc1	1115964827	KCRZWKWDVUFHPP-UHFFFAOYSA-N	321.377	1.009	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2CCO[C@H](C)C2)c1	776293037	UZRKMDKNWGYPDF-MNOVXSKESA-N	322.361	1.280	50	20	DDGD	
O=C(CO[C@H]1CCOC1)NNc1ccc(OC(F)F)cc1	1116351046	WINUJXLHKRMQAU-NSHDSACASA-N	302.277	1.537	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc(=O)c2ccc(F)cc2o1	1117102888	OPNVJRINIBCQRB-UHFFFAOYSA-N	323.349	1.449	50	20	DDGD	
CCOc1nc(C(=O)NNc2cccc(C(=O)OC)c2)co1	773730938	OWODTYFITFIZIN-UHFFFAOYSA-N	305.290	1.617	50	20	DDGD	
CCC1(O)CCC(NC(=O)NNc2nc(C)cc(C)n2)CC1	772102855	VKEZJMUHEUELIK-UHFFFAOYSA-N	307.398	1.803	50	20	DDGD	
O=C(NNc1ncccn1)c1ccc(-c2cncnc2)cc1F	775778133	WTVSFRGANGPMRL-UHFFFAOYSA-N	310.292	1.830	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1cc(C#N)c[nH]1	773618785	CFHTUXMEKRPWOU-UHFFFAOYSA-N	302.265	1.569	50	20	DDGD	
O=C(C[C@@H]1C=CCCC1)NNC(=O)c1ccc2c(c1)OCO2	777762406	JMXVSFHWUJHILA-LLVKDONJSA-N	302.330	1.923	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc2c1ccn2C	772077030	SXOYJNYTPKYSHO-SNVBAGLBSA-N	317.345	1.281	50	20	DDGD	
CC(C)CCn1nccc1NC(=O)NNC(=O)c1cnccn1	779471167	MIXCUMCHUCIQFA-UHFFFAOYSA-N	317.353	1.186	50	20	DDGD	
C[C@H]1CCN1C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	883608280	UYRDZUMAIZPKHB-VHSXEESVSA-N	311.769	1.942	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@]12CCc1ccccc12)C1CCOCC1	883064409	BENGKUIJZNQPOJ-MAUKXSAKSA-N	314.385	1.465	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNc2c(F)cc(F)cc2F)C1	885151895	QFDZQAFWKYQBBR-MRVPVSSYSA-N	315.295	1.806	50	20	DDGD	
Cc1ccccc1[C@H](CO)N(C)CC(=O)NNC(=O)C(C)(C)C	886436241	VHJGDWUXWFVNNS-AWEZNQCLSA-N	321.421	1.154	50	20	DDGD	
C[C@H]1COC[C@@H]1NC(=O)NNC(=O)c1ccc2ccccc2c1	1122031772	YIZCHZMHSFGZKO-NHYWBVRUSA-N	313.357	1.819	50	20	DDGD	
O=C(CCCCN1CCOCC1)NNc1ncncc1Cl	781819696	GOWNTHFWUNQVQD-UHFFFAOYSA-N	313.789	1.076	50	20	DDGD	
CC(C)(C)C(=O)C(=O)NNc1nnc(-c2ccccn2)s1	788568216	ZLXVKZXRVCKCGI-UHFFFAOYSA-N	305.363	1.658	50	20	DDGD	
O=S(=O)(CCCCl)N[C@H]1CCOC2(CCOCC2)C1	882001725	SYYCCYOWXPOURY-NSHDSACASA-N	311.831	1.263	50	20	DDGD	
CCNC(=O)N(C)NC(=O)COCc1nc2ccccc2s1	780711507	LZMNPKHCGMFGFZ-UHFFFAOYSA-N	322.390	1.505	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cccc2nc(O)oc12	781828868	CEWIKWJGMZIRKM-UHFFFAOYSA-N	305.681	1.734	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Nc2cncnc2OC)c1	780593996	KHQLLJZAFDJQDW-UHFFFAOYSA-N	317.305	1.420	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1cnn(C(C)C)c1C	787152354	USMBVYRVDDITGP-UHFFFAOYSA-N	302.382	1.887	50	20	DDGD	
C[C@@H](C(=O)NNc1ccccc1[N+](=O)[O-])[C@H](C)S(C)(=O)=O	788302266	XZGNOOSQKZSSHA-BDAKNGLRSA-N	315.351	1.107	50	20	DDGD	
COC1CCC(C(=O)NNC(=O)c2cccc(N(C)C)c2)CC1	780198946	YHGQNISUOFEEAS-UHFFFAOYSA-N	319.405	1.719	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2c(O)cccc2O)c1	780796663	IOXUGJRQFFYFKZ-UHFFFAOYSA-N	302.286	1.641	50	20	DDGD	
CCn1cc(CC(=O)NNC(=O)CNc2ccc(C)cc2)cn1	781900214	XPGZUSGCIZUALB-UHFFFAOYSA-N	315.377	1.013	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncnc2ccsc12)C1CCNCC1	892643278	ILIGKEASJIWHSI-SECBINFHSA-N	320.422	1.706	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2ccn(C)c2)c1	780841324	NEQYKRBZMUGJSQ-UHFFFAOYSA-N	302.334	1.638	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNC(=O)Cc1ccc(Cl)cc1	784296787	PRXRPPFCUWMGON-UHFFFAOYSA-N	305.765	1.991	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cccc2nn[nH]c12)c1ccccc1	783619670	XWCJQTVEXVUOCF-UHFFFAOYSA-N	323.356	1.697	50	20	DDGD	
CCc1cccc(NC(=O)C(=O)NNc2ncc(F)cn2)c1	784949819	JXPMUNWUQQKGJS-UHFFFAOYSA-N	303.297	1.260	50	20	DDGD	
O=C(NN=C1CCC[C@@H](c2cccnc2)C1)C(=O)N1CCCC1	799878501	YXOINUITCNUWGS-CYBMUJFWSA-N	314.389	1.834	50	20	DDGD	
O=C(CCOCC(F)(F)C(F)F)NNC(=O)C1CCCC1	790290832	VUHYUXDWTDCFQC-UHFFFAOYSA-N	314.279	1.631	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1cccc(N2CCC2=O)c1	794908679	MFRFAUSTQKKWHN-UHFFFAOYSA-N	311.345	1.311	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc2nc(C)n(C)c2c1	795261703	VOLFNEMDCXSJKS-UHFFFAOYSA-N	312.333	1.437	50	20	DDGD	
N#Cc1cccc(NNC(=O)[C@@H]2CC(c3cccnc3)=NO2)c1	790806541	HHYVAXKKBJBBFD-HNNXBMFYSA-N	307.313	1.590	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H](O)Cc2ccccc2)c1	793713252	LXAJUGFYYPMTEX-HNNXBMFYSA-N	304.321	1.881	50	20	DDGD	
N#CCC1(CNC(=O)NNC(=O)COc2ccccc2F)CC1	797562788	LMHWLZKRUJUSGQ-UHFFFAOYSA-N	320.324	1.229	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)COc1ccccc1F	792801221	OAIVZCVTGCJXPT-YGRLFVJLSA-N	312.341	1.413	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)Cc1ccccc1OC	795017706	OYSCJSREYCWTTA-XHDPSFHLSA-N	308.378	1.446	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCCc1cccs1)C(F)F	792085544	PBGXNGWEHGGZBG-UHFFFAOYSA-N	305.350	1.912	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CCCC[C@@H]1CC	793552764	BSBYDYKOVYXIGJ-AAEUAGOBSA-N	311.426	1.655	50	20	DDGD	
O=C(Cc1ccc2c[nH]nc2c1)NNc1nc2ccccn2n1	793955476	RGVSTYDFGXFRGV-UHFFFAOYSA-N	307.317	1.291	50	20	DDGD	
Cc1cc(OC(=O)c2ccoc2CC(N)=O)ccc1[N+](=O)[O-]	796808820	DGWQPKLHGIKWML-UHFFFAOYSA-N	304.258	1.743	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)C2CCCC2)c(F)c1	790393075	DCFHNCBIQZQCRO-UHFFFAOYSA-N	316.354	1.334	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2sc(N(C)C)nc2C)c1	1329274272	MMOHGYJGIQCQHV-UHFFFAOYSA-N	324.431	1.962	50	20	DDGD	
CCNC(=O)NNS(=O)(=O)c1cc(C(C)(C)C)ccc1C	1320102517	FPIKNNDKKFAITR-UHFFFAOYSA-N	313.423	1.805	50	20	DDGD	
CCOCc1ccc(NC(=O)NNC(=O)c2c[nH]nc2C)cc1	1320252649	ICKFJZOIKBQNDF-UHFFFAOYSA-N	317.349	1.721	50	20	DDGD	
COC(=O)C(=O)NN=Cc1c(F)cccc1Br	1325010690	CVSNYPNRLFAFQE-UHFFFAOYSA-N	303.087	1.211	50	20	DDGD	
COc1ccc(NNC(=O)CNC(=O)c2ccc(C)s2)cc1	1326563086	PGABXONUJBFJOV-UHFFFAOYSA-N	319.386	1.938	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCc2nc[nH]c2[C@H]1c1cccnc1	1336534068	KKPMOKNODVIWIA-IVOILVROSA-N	323.356	1.723	50	20	DDGD	
CCCN1CCCC[C@@H]1C(=O)NNC(=S)N[C@H](C)C1CC1	1331220382	DJOPSJJCFJFGHC-DGCLKSJQSA-N	312.483	1.545	50	20	DDGD	
CCNC(=O)NNC(=O)CN(CC(C)C)C(=O)OC(C)(C)C	1340377056	YRPQDMXFPCZAID-UHFFFAOYSA-N	316.402	1.230	50	20	DDGD	
COc1cc(CCNC(=O)NNc2cccnn2)cc(OC)c1	1346752827	MAFJDTXYENDEMY-UHFFFAOYSA-N	317.349	1.363	50	20	DDGD	
CCCN(Cc1ccccc1F)C(=O)NNC(=O)c1cn[nH]c1	1348122262	GWXNZQXNMXTOEK-UHFFFAOYSA-N	319.340	1.815	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)NC1CCC(C2CCC2)CC1	1351353749	STXYMAUOCGWKJR-UHFFFAOYSA-N	305.382	1.713	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1cc(C)ccc1C	1354668083	SHFXVZFSVXXYFU-UHFFFAOYSA-N	301.346	1.193	50	20	DDGD	
Cn1c(C=NNC(=O)CNc2ccccc2)ccc1C(=O)O	1600912360	RGLXGQBILFCQTG-UHFFFAOYSA-N	300.318	1.286	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@]23C[C@H]2COC32CCC2)c1	1602449059	ZCHHPGNGVHXNMG-ZBEGNZNMSA-N	302.330	1.787	50	20	DDGD	
COc1ccc(NNC(=O)NC2CCC(C(=O)O)CC2)nc1	1604820976	BCAUDYQHSNWMCQ-UHFFFAOYSA-N	308.338	1.360	50	20	DDGD	
N#CC[C@@H](NC(=O)NNc1cccc(C(=O)O)c1)C(F)(F)F	1601062145	NFWUXKAVXGQRTM-SECBINFHSA-N	316.239	1.855	50	20	DDGD	
Cn1cc([C@@H]2C[C@H]2C(=O)NNc2ccc(C(=O)O)cc2F)cn1	1600969225	BQTRLFNONZNFJK-WDEREUQCSA-N	318.308	1.504	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc(C(=O)O)o1	1600305065	HNLCKQUOBCJATD-UHFFFAOYSA-N	305.246	1.951	50	20	DDGD	
O=C(O)CN1CCN(c2ccc(NC(=O)CCl)cc2)CC1	1608749718	CSXHIFUAEZTNDJ-UHFFFAOYSA-N	311.769	1.071	50	20	DDGD	
Cc1cc(C(=O)O)ccc1NC(=O)C(=O)NNc1ccccc1	1607594548	BMKYVBCEOYQYHN-UHFFFAOYSA-N	313.313	1.775	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@H]2CCCC[C@H]2C(=O)O)cn1	1610601094	FDQWVGGUKAOSCX-CUBYMHMKSA-N	302.334	1.087	50	20	DDGD	
Cc1nnsc1C(=O)NNc1ccc(C(=O)O)c(Cl)c1	1610574595	VTDVVFNQKFGBDA-UHFFFAOYSA-N	312.738	1.955	50	20	DDGD	
O=C(O)CCCNC(=S)NNC(=O)c1c[nH]c2ccccc12	1610770161	RLQBJWXYMKRSGR-UHFFFAOYSA-N	320.374	1.142	50	20	DDGD	
COc1cccc(C(=O)NNc2ccc(C(=O)O)cn2)c1F	1610353683	LDFHUSPTLJFWGS-UHFFFAOYSA-N	305.265	1.684	50	20	DDGD	
O=C(NN=C1CC[C@@H]2COCC[C@@H]2C1)[C@H]1CN2CCC[C@H]2CO1	1550695732	FQQUDFVNHJMMQV-LUYZLQTOSA-N	321.421	1.158	50	20	DDGD	
CC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)CCl)CC1	1824182038	RJEMMTOYNMCGFA-UONOGXRCSA-N	316.829	1.226	50	20	DDGD	
CNc1cccc(C(=O)NNc2ccc(S(C)(=O)=O)cc2)c1	1578764628	PEUQGSDDYWGSEE-UHFFFAOYSA-N	319.386	1.889	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@@H](C)C1CNC1	1578266044	WUJCXSOISNTCHF-NSHDSACASA-N	320.462	1.731	50	20	DDGD	
O=C(NNc1nc2cccnc2s1)[C@@H]1CC[C@@H](C2CC2)N1	1580742932	KKNUKNOIBVJIQM-UWVGGRQHSA-N	303.391	1.665	50	20	DDGD	
CC(C)(CCl)C(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2	1841225715	BQZUVKCMKXRZIP-UHFFFAOYSA-N	323.824	1.759	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)c2cccnc2)C1	1842392904	QTIJCSXODDYSEG-LLVKDONJSA-N	311.744	1.433	50	20	DDGD	
CC[C@@H](Br)C(=O)N1CC2(CCCN2C(C)=O)C1	1842765115	GUZPJAONEFLNAU-SNVBAGLBSA-N	303.200	1.383	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cc(CCC(=O)O)ccc1O	1596864199	QOCJHZSLAJRENT-PKNBQFBNSA-N	304.302	1.792	50	20	DDGD	
C[C@H]1CCCN1CCNC(=O)NNc1ccc(C(=O)O)cc1F	1594387928	RYWPQZBMCOEJIA-JTQLQIEISA-N	324.356	1.634	50	20	DDGD	
COc1cc(C=NNC(=O)c2cccnc2)ccc1-c1nn[nH]n1	1591522232	DMUFAHNFNRFPTC-UHFFFAOYSA-N	323.316	1.034	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@]12C[C@@H]1COC2(C)C	1599375908	IBPGKTXGOCGOQA-HWPZZCPQSA-N	320.345	1.652	50	20	DDGD	
Cc1ccc(C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)o1	1592127963	DHILXNPKYLYHSK-UHFFFAOYSA-N	317.309	1.636	50	20	DDGD	
C[C@H]1CCC[C@H](NC(=O)NNc2ccc(-c3nn[nH]n3)cn2)C1	1590243600	LMCCAOCGWVQWHC-ONGXEEELSA-N	316.369	1.467	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccncc2)ccc1C(=O)O	1594323130	OGSKGCFAKJHKCM-UHFFFAOYSA-N	314.301	1.555	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COC)C2	1793679952	CXTSUYYRFUTPRB-RNJOBUHISA-N	316.829	1.679	50	20	DDGD	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)c1ccccc1	14825046	VVFOKVQPEPVQST-GFCCVEGCSA-N	309.325	1.787	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCO1)c1ccc(Cl)cc1Cl	17083867	QDDLLNDABPIFHN-SNVBAGLBSA-N	303.145	1.933	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@@H]1CCn2cncc2C1	152427213	PRABQWUXQWMIMY-GFCCVEGCSA-N	324.344	1.639	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)[nH]n1	153304858	XVFOAYHOCBPODJ-NXEZZACHSA-N	320.299	1.561	50	20	DDGD	
CCc1nc2cc(NC(=O)NNC(=O)CN(C)C)ccc2o1	156060074	HVFDUIKKYPFXRY-UHFFFAOYSA-N	305.338	1.105	50	20	DDGD	
Cc1ccc2cc(C(=O)NNc3ncnc4nc[nH]c34)[nH]c2c1	156224532	WOJQZIMTOPTRSB-UHFFFAOYSA-N	307.317	1.900	50	20	DDGD	
COc1ccc(NNC(=O)NCCCCn2ccnc2C)nc1	157397730	HOOGCEBPDXCFTN-UHFFFAOYSA-N	318.381	1.702	50	20	DDGD	
CN(CCC(=O)OC(C)(C)C)S(=O)(=O)CCCCCl	154677817	KHBGFSPXPLWONG-UHFFFAOYSA-N	313.847	1.999	50	20	DDGD	
COCCN(C)CCNC(=O)NNc1cc(F)c(F)cc1F	115818650	FRTVSQVSVOPCMM-UHFFFAOYSA-N	320.315	1.308	50	20	DDGD	
CC(C)CCO[C@H](C)C(=O)NNC(=O)c1cccc(C#N)c1	103401575	CFWMXWJYGLUZAK-GFCCVEGCSA-N	303.362	1.770	50	20	DDGD	
O=C(NNc1cnccn1)[C@@H]1COc2ccc(Cl)cc2C1	114879374	QHXHVZRVOMVXPJ-JTQLQIEISA-N	304.737	1.824	50	20	DDGD	
COCCCNC(=O)NNC(=O)C[C@@H]1CCc2ccccc21	115346338	CQRVXKBPOZQVLN-ZDUSSCGKSA-N	305.378	1.473	50	20	DDGD	
COC[C@@H](NC(=O)NNc1ccc(Cl)nn1)c1ccco1	175719253	ISHFHZHVJZFIIG-MRVPVSSYSA-N	311.729	1.737	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc([S@](C)=O)cc2)nc(C)n1	173834234	HGNQJPDIWOWUJA-NRFANRHFSA-N	304.375	1.588	50	20	DDGD	
CCCCCC[C@H](C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1	172702840	JKFVLCXQJIBOBJ-NWDGAFQWSA-N	318.439	1.175	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)N1	112692973	LFGIDRXRHVFZMZ-SECBINFHSA-N	321.724	1.112	50	20	DDGD	
C[C@H](CO)N(C)S(=O)(=O)c1ccc(CCCCl)cc1	119029881	IHQDHGOKZKBSMG-LLVKDONJSA-N	305.827	1.859	50	20	DDGD	
COCCCCNC(=O)NNC(=O)CCCc1ccccc1	69271125	SGWKKOYZFJTFAW-UHFFFAOYSA-N	307.394	1.766	50	20	DDGD	
Cc1cc(Cl)ccc1NC(=O)C(=O)NNC(=O)C(C)(C)C	180968339	PJZAWDGQGKYWMO-UHFFFAOYSA-N	311.769	1.780	50	20	DDGD	
Cc1cc(NNC(=O)Cc2ccccc2[N+](=O)[O-])nc(C)n1	128887008	CDDQXJLHCFUIRL-UHFFFAOYSA-N	301.306	1.687	50	20	DDGD	
Cc1[nH]ncc1CCCNC(=O)NNc1cncc(Cl)n1	122728612	AQKNWTCGPLAHLA-UHFFFAOYSA-N	309.761	1.420	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)NCC(F)(F)F)c1	124658761	ZIUFLGHVSKXVDB-UHFFFAOYSA-N	319.283	1.657	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)CO)c1ccc(C(F)(F)F)cc1	180948693	MLVJQZLBWHIFNE-MRVPVSSYSA-N	304.268	1.339	50	20	DDGD	
CC[C@H](CC1CCCCC1)C(=O)NNC(=O)C(=O)N1CCCC1	72572054	MFMSGOOINAKJHS-CQSZACIVSA-N	323.437	1.753	50	20	DDGD	
O=C(NNC(=O)C1(c2ccc(F)cc2)CCCC1)[C@@H]1CCCO1	42968530	JRVGIMYXROKGEI-AWEZNQCLSA-N	320.364	1.964	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2ccc(C)n2C)c1	192865009	PHADTTCVTRGUMK-UHFFFAOYSA-N	316.361	1.215	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H](C)n1cccn1	44668927	YJLJCSIGQZVKBZ-QWRGUYRKSA-N	320.324	1.198	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccncc1)N1CCc2ccccc21	195381417	VYXKRVFIKHBADN-GFCCVEGCSA-N	310.357	1.294	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNc2cc(Cl)nc(N)n2)cc1	134123821	BKWCBEWVFPPJSL-UHFFFAOYSA-N	318.724	1.106	50	20	DDGD	
CN(C)N(C(=O)c1csc(Cl)c1)[C@@H]1CCS(=O)(=O)C1	191811949	FLZMZXDRGORRRG-SECBINFHSA-N	322.839	1.507	50	20	DDGD	
O=C(CCn1cccn1)NNC(=O)c1ccc2ccccc2n1	194269201	QMTGFRRMIHMFFF-UHFFFAOYSA-N	309.329	1.283	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNC(=O)NCCc1cccs1	190390604	PFMBATAYRPOJTF-UHFFFAOYSA-N	321.406	1.204	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CCc2ccco2)c1	49983883	RRURPSZMPFWLLP-UHFFFAOYSA-N	302.330	1.747	50	20	DDGD	
NC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1	195328476	LTTSWUMGBGNGJG-INIZCTEOSA-N	324.384	1.313	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C1(C#N)CCCCC1	98115174	BYKCUFOSKTVNAZ-UHFFFAOYSA-N	315.373	1.859	50	20	DDGD	
CCCC[C@H](CN)NC(=O)c1c(C)nn(CCCl)c1C	236924750	WULNUQCXLCXKOH-GFCCVEGCSA-N	300.834	1.986	50	20	DDGD	
O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C1CCC1	263892934	GLCYNJAWSQTUQJ-UHFFFAOYSA-N	309.391	1.371	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(CC(=O)NNC(=O)c2ccc[nH]2)C1	266867526	WKSVPPLPBWWANB-UHFFFAOYSA-N	322.365	1.033	50	20	DDGD	
COc1ccc(Cl)c(S(=O)(=O)NNC(=O)NC(C)C)c1	264898006	ZTISQRGVOPKQEW-UHFFFAOYSA-N	321.786	1.250	50	20	DDGD	
COCCC1(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CC1	269523512	SZONFHQAQHJXSI-UHFFFAOYSA-N	320.345	1.036	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCCSC1	267335206	PICVOVCYNVIERA-JTQLQIEISA-N	324.362	1.434	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCC(C)(C)C(=O)OC)cc1	268208102	HQYMRUBRGJTOTG-UHFFFAOYSA-N	321.377	1.392	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)c2ccn(C)c2)o1	268655354	VOMDMWLTXPBIQP-UHFFFAOYSA-N	318.377	1.535	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)C2CCC2)cc1Cl	264819318	XOEZOZLSHXEGGV-UHFFFAOYSA-N	302.783	1.758	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)CCCCCl)C[C@]2(CCOC2)O1	366509309	UCLQQXSAVKXJRA-RYUDHWBXSA-N	311.831	1.215	50	20	DDGD	
CCC1(C(=O)NNC(=O)COc2ccc(F)cc2)CCOCC1	272154319	CKRDISVYPHJSOP-UHFFFAOYSA-N	324.352	1.559	50	20	DDGD	
COC(=O)c1cc(NS(=O)(=O)CCCCCl)cn1C	276212610	KQLVZVVUVQYTLM-UHFFFAOYSA-N	308.787	1.572	50	20	DDGD	
C[C@@](O)(CC(=O)NNC(=O)c1cc2ccccc2o1)C1CC1	270140563	GCDAEDGTFJLOKB-MRXNPFEDSA-N	302.330	1.745	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2sccc2CN(C)C)n1	279826136	PYVMKOZUMLKBHE-UHFFFAOYSA-N	318.402	1.588	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)NOC[C@@H]1CCOC1	276224576	CQSGEQWGNBLLNU-SNVBAGLBSA-N	318.333	1.080	50	20	DDGD	
CCCc1nc(C(=O)NNC(=O)Cc2ccccc2F)co1	273592617	JNBWGTBQXNRLQP-UHFFFAOYSA-N	305.309	1.770	50	20	DDGD	
CCCCC(=O)N1CSC[C@H]1C(=O)NNc1ncccc1C	276707402	JMSCFURVJLAERF-LBPRGKRZSA-N	322.434	1.925	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)NC1CC(c2ccccc2)C1	372791158	URZMBYYOBLIHPU-UHFFFAOYSA-N	322.372	2.302	50	20	DDGD	
Cc1cccc(-c2nc(C(=O)NNC(=O)NC3CC3)c(C)[nH]2)c1	270285861	YXLVNCLLLLQYAD-UHFFFAOYSA-N	313.361	1.800	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccnc1OC(C)C	274046276	HIVZDCKVPGIQMJ-SNVBAGLBSA-N	322.365	1.001	50	20	DDGD	
O=C(CCCC[C@H]1CCSS1)N1C[C@@H](O)C[C@H]1CO	370417889	CHJASHGFFKRVGR-SRVKXCTJSA-N	305.465	1.655	50	20	DDGD	
C#CCCCCC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	282965028	UXZSOCMWMMZOHC-UHFFFAOYSA-N	301.346	1.275	50	20	DDGD	
COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1C#N	282995830	LSLNQFCVFNMGOZ-LULHVWEPSA-N	311.341	1.769	50	20	DDGD	
O=C(NNc1ncccc1F)C1CCN(c2cnccn2)CC1	286125460	XAQGKHHHGHWRFJ-UHFFFAOYSA-N	316.340	1.370	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNC(=O)Nc1ccccc1C	281345524	VBSIBRSLHPLYRY-UHFFFAOYSA-N	322.365	1.626	50	20	DDGD	
CSc1cc(C(=O)NNC(=O)NCC(F)(F)F)ccn1	281341414	UTLLOLQINXLFMI-UHFFFAOYSA-N	308.285	1.310	50	20	DDGD	
CC(F)(F)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	289147998	HJINBGGLKCQSCX-UHFFFAOYSA-N	314.260	1.781	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C2=C(C)OCCS2)nc1	287703139	MPYRHKIHVYTTAK-UHFFFAOYSA-N	309.347	1.306	50	20	DDGD	
O=C(C[C@H]1COC(=O)C1)NNC(=O)Nc1cccc(Cl)c1	283623868	AUWSOUQNCSIHFV-MRVPVSSYSA-N	311.725	1.446	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NNc1ncc(F)cc1F	298206713	FZKDWIBIXYUDJD-JOYOIKCWSA-N	312.320	1.967	50	20	DDGD	
CC(C)(C)c1cnc(CCC(=O)NNC(=O)Cc2cc[nH]n2)o1	801617336	NYTGBMGNYVVPKH-UHFFFAOYSA-N	319.365	1.018	50	20	DDGD	
COc1ccccc1C(=O)NCC(=O)NNc1cccc(F)n1	804773576	XEDMSIMYPRFXND-UHFFFAOYSA-N	318.308	1.102	50	20	DDGD	
O=C(NNC(=O)c1cc2c(nc1O)CCC2)Nc1ccccc1	801991194	KRBAKAZBXWPHKU-UHFFFAOYSA-N	312.329	1.742	50	20	DDGD	
C[Si](C)(C)c1ccc(CC(=O)NNc2ncncc2F)cc1	294681123	SZHFABUKSLDFOM-UHFFFAOYSA-N	318.428	1.847	50	20	DDGD	
CN(NC(=O)c1cccc(-c2ncn[nH]2)c1)C(=O)OC(C)(C)C	297795373	VSKXJNXOXATPTH-UHFFFAOYSA-N	317.349	1.983	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2n[nH]c3ccccc23)c(O)c1	806526117	AWKDYVHQMCYDIQ-UHFFFAOYSA-N	324.340	1.581	50	20	DDGD	
O=C(Cc1ccccc1CO)NNc1nccnc1C1CCC1	805471003	XCBOQVUXXQKXMI-UHFFFAOYSA-N	312.373	1.922	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42	802026443	RJEFWADQLYTBNC-AZSZRZGFSA-N	324.384	1.050	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NNC(=O)[C@@H]1CCCO1	292800021	RIOHQWGDRLOPCY-NSHDSACASA-N	322.321	1.543	50	20	DDGD	
C[C@H](Cc1ccccc1F)C(=O)NNC(=O)N=c1cc[nH]cc1	802029448	NHEHKKMPDZZGMB-LLVKDONJSA-N	316.336	1.674	50	20	DDGD	
Cc1cnc(COCC(=O)NN=c2cc[nH]c3ccccc23)o1	806810781	BOYWOTQVEDIIMP-UHFFFAOYSA-N	312.329	1.613	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)c1cc2n(n1)CCO2	290469328	MZDCLZUGEMZNFW-UHFFFAOYSA-N	314.345	1.059	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)Cc1nc2ccccc2n1C	294330076	KPPFHXXJTAWEQI-ZDUSSCGKSA-N	318.377	1.078	50	20	DDGD	
COCCn1ccc(NC(=O)NNc2cccc(Cl)n2)n1	293051695	YBWDNMIHRUWMJA-UHFFFAOYSA-N	310.745	1.727	50	20	DDGD	
CCN(C)C(=O)c1cccc(NC(=O)NN=c2cc[nH]cc2)c1	806774481	WEBSCNZAVWHWDA-UHFFFAOYSA-N	313.361	1.744	50	20	DDGD	
COc1ccc(F)c(NC(=O)C(=O)NNc2ncccc2F)c1	807301275	DDDUDLQKEIFIOE-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
C[C@H](OC[C@@H]1CCCCO1)C(=O)NNC(=O)c1ccccc1F	299355683	XAJJTZCYOMCJOO-RYUDHWBXSA-N	324.352	1.561	50	20	DDGD	
O=C(NNc1ccccc1F)C(=O)N1CCc2cc(F)ccc21	802567117	IQZNBQPYQLZHND-UHFFFAOYSA-N	317.295	1.997	50	20	DDGD	
O=C(NNc1cccc(F)n1)C(=O)N1CCc2cc(F)ccc21	807391207	KAVJZYCXUMEEIK-UHFFFAOYSA-N	318.283	1.392	50	20	DDGD	
O=C(Cc1ccc(Cl)cn1)NNc1nc2ccccn2n1	803187244	UXNCQWNDDIMKEM-UHFFFAOYSA-N	302.725	1.464	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41	802026450	RJEFWADQLYTBNC-WBTLJEKMSA-N	324.384	1.050	50	20	DDGD	
O=C(Cc1ccccc1)NCC(=O)NNc1cccc(F)n1	804768503	GDSNELDKRPCZQJ-UHFFFAOYSA-N	302.309	1.023	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1cc([N+](=O)[O-])ccc1N	814851954	CECPCIRWDQMWSK-UHFFFAOYSA-N	302.294	1.065	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)NCCc1cccs1)C(C)(F)F	815115062	PQVFDVSVCLVSDX-QMMMGPOBSA-N	305.350	1.912	50	20	DDGD	
COCc1ccccc1/C=C(/C)C=NNC(=O)NCC(=O)OC	814226471	BSVMFTBQFIUYDU-QVCFSDILSA-N	319.361	1.694	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNC(=O)CNc1ccc(C)cc1	810007785	QGFOQHYYRDLBOS-UHFFFAOYSA-N	321.380	1.778	50	20	DDGD	
Cc1ccoc1CNC(=O)NNC(=O)COc1ccc(F)cc1	813840889	DYKKXXCILWEFLC-UHFFFAOYSA-N	321.308	1.637	50	20	DDGD	
CCc1c(C(=O)NNc2nc[nH]n2)cnn1Cc1ccccc1	816633011	JKZUYPJKXFHNOE-UHFFFAOYSA-N	311.349	1.369	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)[C@H](C)CCCCC(=O)O	814824893	OYIKRRGHNYFUCR-LLVKDONJSA-N	311.382	1.382	50	20	DDGD	
O=C(NN=Cc1ccccn1)C1CCN(c2ncccn2)CC1	728783631	YKWLMWQHLUIZOJ-UHFFFAOYSA-N	310.361	1.238	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1cccc([N+](=O)[O-])c1	726875281	UNUVIPJOVACQMI-UHFFFAOYSA-N	301.262	1.456	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cc3c(s2)CCC3)CO1	827606588	MLSOGZUPFZVPLM-PSASIEDQSA-N	309.391	1.358	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cccc(NC(=O)O)c1)C1CC1	825464012	BILKMMZPYYUKLX-QMMMGPOBSA-N	322.390	1.684	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccc2c(c1)OCO2)C(F)(F)F	824391527	LEAMFANLGFJEDU-LURJTMIESA-N	319.239	1.310	50	20	DDGD	
CCOc1c(Cl)cccc1CC(=O)NN(CC)CCO	823879376	KYYIWLDCXDZGGK-UHFFFAOYSA-N	300.786	1.627	50	20	DDGD	
CO[C@@H](C)CCNC(=O)NNC(=O)Cc1c[nH]c2ccccc12	726713569	HRFZALPDMCWUSR-NSHDSACASA-N	318.377	1.466	50	20	DDGD	
CCCNC(=O)NNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1	822800231	SQBSJMOCIXPWEX-UHFFFAOYSA-N	322.321	1.298	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCCC[C@@H]1COC(=O)N(C)CC	490941360	KUXFQAWHPVANCS-YBEMTRGBSA-N	323.393	1.900	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)nc(N)n1	828367188	JHQASMZQEQPHMP-NWDGAFQWSA-N	301.325	1.753	50	20	DDGD	
CCOC(=O)NNC(=O)c1ncccc1OCC(F)(F)F	493007113	ABPOGXSTGNJNTF-UHFFFAOYSA-N	307.228	1.414	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C[C@H]1CSc2ccccc2O1	827690587	OVERELOWFZGKAL-JTQLQIEISA-N	309.391	1.622	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)NNc1cccnn1	495303090	ZFMBYFLRSKVYMK-MNOVXSKESA-N	321.381	1.613	50	20	DDGD	
C[C@H](CC(=O)O)C(=O)NNC(=O)c1c(Cl)cccc1Cl	827304099	OXDXUQBGCYLBAN-ZCFIWIBFSA-N	319.144	1.865	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCCc1nc(O)c2ccccc2n1	823982958	HZUVFOZLAQYXBH-LLVKDONJSA-N	318.377	1.002	50	20	DDGD	
CO[C@@H]1C[C@@H](NC(=O)/C(C#N)=C\c2cnn(C)c2)C12CCC2	491088150	YRXGHIXJVYGZIA-NGPFNDBQSA-N	300.362	1.401	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC[C@H]1c1ccncc1	827314477	DKRPJCGMNYQFBI-UBHSHLNASA-N	318.377	1.384	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1CCSc2c(F)cccc21	585017513	CEEDHRQWPMGPFQ-OAHLLOKOSA-N	317.194	1.832	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)OCO2	826448818	NEYFHIBBYCGBBQ-UHFFFAOYSA-N	324.300	1.352	50	20	DDGD	
COC(=O)N1CCC[C@H](NC(=O)NNc2cccc(C#N)c2)C1	726717499	XZRKMSDRLNOLCP-ZDUSSCGKSA-N	317.349	1.415	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(Cc1ccc(F)cc1)C(C)C	827530906	SNOUWRNDADDVGK-UHFFFAOYSA-N	309.385	1.840	50	20	DDGD	
CC(C)(CC(=O)c1ccccc1)CC(=O)N1CC[C@@H](B(O)O)C1	585064688	IPZDZNCXYIFJAI-CQSZACIVSA-N	317.194	1.751	50	20	DDGD	
CCc1cc(C(=O)NNc2cccc(C(=O)OC)c2C)n(C)n1	824490196	GILFXFMLMOKEEL-UHFFFAOYSA-N	316.361	1.834	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C	823798906	IIYAMXYIJHCWKO-VIFPVBQESA-N	301.387	1.341	50	20	DDGD	
COCCOc1ccccc1NCc1ccccc1B(O)O	585012677	CBCVCTNNMDVGOL-UHFFFAOYSA-N	301.151	1.004	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCCOCC(F)(F)F	491005460	BBWBIHALBDHODN-YRNVUSSQSA-N	314.263	1.994	50	20	DDGD	
Cc1nnc(NNC(=O)C[C@@H]2OCCc3ccccc32)nc1O	734543021	MOAYSAMAPRNYHF-LBPRGKRZSA-N	315.333	1.033	50	20	DDGD	
N#C/C(=C\c1cn(CC(=O)O)nn1)C(=O)Nc1ccccc1F	490783774	URXVIDHXSXBSTF-WEVVVXLNSA-N	315.264	1.047	50	20	DDGD	
O=S(=O)(CCl)N1CC(OCCCOc2ccccc2)C1	830812686	SRCRMSBOEXDBMF-UHFFFAOYSA-N	319.810	1.682	50	20	DDGD	
CC(CS(=O)(=O)c1ccccc1)=NNC(=O)c1c[nH]nc1C	735410424	DSTTZJNQAOLBJO-UHFFFAOYSA-N	320.374	1.298	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)ncn1	839683881	RGCCARSXLFQGNA-QWHCGFSZSA-N	313.317	1.940	50	20	DDGD	
CN1CCC[C@@H](CCNC(=O)NNc2cccc([N+](=O)[O-])c2)C1	838768375	NBKNQZABZPVSSJ-LBPRGKRZSA-N	321.381	1.953	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCN1CCOC[C@@H]1CC(N)=O	832751146	NJTNQZROXJYRAQ-LBPRGKRZSA-N	302.491	1.584	50	20	DDGD	
CC(C)[C@H]1CC[C@@H](C)CCN1C(=O)c1ccc(B(O)O)c(F)c1	584947864	DEAFIWSBNRWEFF-MLGOLLRUSA-N	321.201	1.792	50	20	DDGD	
Cc1cc(NNC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)ncn1	734256548	MIDGOMMJFVFYRI-UHFFFAOYSA-N	314.349	1.106	50	20	DDGD	
CCc1cc(C(=O)NNC(=S)NCCc2cccs2)no1	900051524	YIOAIUOTZJTQHG-UHFFFAOYSA-N	324.431	1.650	50	20	DDGD	
O=S(=O)(CBr)NCCOC1CCSCC1	908452927	UXPGRAUMLFDGGV-UHFFFAOYSA-N	318.258	1.170	50	20	DDGD	
N#Cc1cc(NC(=O)NNC(=O)[C@H]2CCCCO2)ccc1F	836371712	MLYXNARYIUJHNR-GFCCVEGCSA-N	306.297	1.419	50	20	DDGD	
C[C@@H](CCCC(F)(F)F)NC(=O)c1ccc(B(O)O)cc1	584983225	PPWBSJLCZSOCLU-VIFPVBQESA-N	303.089	1.217	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cc(C(=O)O)no1)c1ccccc1	833636446	RSJVJXRNYNAFEL-SNVBAGLBSA-N	317.301	1.328	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1ccnc(N(C)C)c1)C1CCOCC1	834957365	VLNUPUABZBECFQ-AWEZNQCLSA-N	320.393	1.305	50	20	DDGD	
COc1ccc2[nH]cc(CCNS(=O)(=O)CCl)c2c1	830715163	WSSXCNGRAARHRO-UHFFFAOYSA-N	302.783	1.835	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)[C@@H]1C[C@H]2CC[C@H]1O2	834932574	IWCGVMKZVMCOBO-REBRKWNGSA-N	309.410	1.014	50	20	DDGD	
CC[C@@H](C)[C@@H](NNC(=O)c1cccc(N(C)C)c1)C(=O)OC	905746847	FNLREJCFODEWBL-BXUZGUMPSA-N	307.394	1.575	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@H]1CCCc2nn[nH]c21	830762664	UPBAGTJMYWLDMS-JTQLQIEISA-N	302.294	1.276	50	20	DDGD	
CC(C)(C)[C@H]1OCCC[C@H]1CNCc1cccc(B(O)O)c1	585024124	UDFYGNFALNPFAR-HOCLYGCPSA-N	305.227	1.297	50	20	DDGD	
CNC(=O)NNS(=O)(=O)c1cc(C)c(OC)cc1C(C)C	901868097	NPONEYPNWPURJW-UHFFFAOYSA-N	315.395	1.249	50	20	DDGD	
C=CC[C@@H](CC(F)(F)F)NC(=O)c1ccc(B(O)O)c(F)c1	585001555	XGUNHAZGLAYRJM-VIFPVBQESA-N	319.063	1.132	50	20	DDGD	
C[C@]1(C(=O)N[C@H]2CCN(CC3CC3)C2)C[C@@H]1Br	906617385	RRHADWVDSQUFTN-GVXVVHGQSA-N	301.228	1.760	50	20	DDGD	
O=C(NNc1ccc(Br)nc1)C1=COCCO1	732836049	BLOXTSYOMPSVPH-UHFFFAOYSA-N	300.112	1.175	50	20	DDGD	
COc1ccc(C(=O)NN=CCCc2cnn(C)c2)cc1OC	834921082	RBXHSEPCDDRWJG-UHFFFAOYSA-N	316.361	1.786	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCCc2sccc2C1	584945281	XKXYAVRNLSNYAC-UHFFFAOYSA-N	301.176	1.017	50	20	DDGD	
C[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H](c2ccco2)C1	584954209	JMNUZKMCTUAAHQ-IUODEOHRSA-N	313.162	1.573	50	20	DDGD	
CC(C)Cc1cccc([C@@H](C)C(=O)NNC(=O)c2ncon2)c1	832826331	WVZDAHFNMCPWAM-LLVKDONJSA-N	316.361	1.833	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCC[C@H](OC)C1	830191225	YOXRJLICDZUUJI-NEPJUHHUSA-N	316.398	1.128	50	20	DDGD	
N#CCOc1ccccc1C(=O)NNC(=O)c1ccccc1O	919809222	IGQZJHFSFRMCPC-UHFFFAOYSA-N	311.297	1.369	50	20	DDGD	
Cc1ncc(C=NNC(=O)c2nnc(O)c3ccccc23)s1	917538335	LVXRNILRILTWOB-UHFFFAOYSA-N	313.342	1.864	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2C[C@H]2c2cccc(O)c2)o1	839698847	GZYSXYMWDLKVLV-QWHCGFSZSA-N	300.314	1.858	50	20	DDGD	
C[C@H](NC(N)=O)C(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	912581348	FIBXJYIXSMHVHI-QWRGUYRKSA-N	315.490	1.666	50	20	DDGD	
COCCCOCCC(=O)NNc1cc(F)cc(OC)c1	830847745	URORPQXNUQWEEC-UHFFFAOYSA-N	300.330	1.721	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)[C@H]1CCCCO1)c1c(F)cccc1F	833243590	USNGVJPDHUJOTH-BXKDBHETSA-N	312.316	1.785	50	20	DDGD	
CCC(CC)N(CC)CC(=O)NNC(=O)c1ccc(C#N)cc1	839603556	DVAJOPMGAFDMTP-UHFFFAOYSA-N	316.405	1.830	50	20	DDGD	
CN1CC[C@H](CNS(=O)(=O)c2ccc(CCl)cc2)C1	388607642	BJKUVPYMYMFCEB-GFCCVEGCSA-N	302.827	1.655	50	20	DDGD	
C[C@H]1CCCc2ncc(C(=O)NNC(=O)CC(F)(F)F)n21	846631720	CDNDTXXYVFTKFV-ZETCQYMHSA-N	304.272	1.494	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2CC3(CCC3)C2)cc1	843756294	GEGRIRKVVFBBDT-UHFFFAOYSA-N	315.373	1.661	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CN(C)C)c1ccccc1C(F)(F)F	743333360	ORZZWTCECJQFBK-VIFPVBQESA-N	317.311	1.518	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc3c(c2)nnn3C)n1	747980764	YEMDMHZUZGGGSW-UHFFFAOYSA-N	317.740	1.477	50	20	DDGD	
O=S(=O)(NCCSCCCO)c1ccc(CCl)cc1	388763003	CYOSJZIYGBGFKJ-UHFFFAOYSA-N	323.867	1.819	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1cccc(O)c1O	916364313	IZQJIAAKNXCYED-LBPRGKRZSA-N	305.378	1.670	50	20	DDGD	
CN(C)C(=O)NNC(=O)CCc1ccc(-c2ccccc2)[nH]1	746014715	OPCFPAOMELXFSL-UHFFFAOYSA-N	300.362	1.917	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1COCC[C@@H]1c1ccccc1	841413934	QZYWGLNXQXBPSQ-ZIAGYGMSSA-N	305.378	1.499	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)c2cc(S(N)(=O)=O)cn2C)c1	749284112	NSNZIIUNYHJPJY-UHFFFAOYSA-N	322.390	1.046	50	20	DDGD	
CC(C)c1c(C(=O)NNC(=O)N(C)C)cnn1-c1ccccn1	746001918	YWXGHWHFKIMBMO-UHFFFAOYSA-N	316.365	1.307	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccnc(-c2ccc(Cl)cc2)n1	910156293	LHCXFZASDZNAAI-SNVBAGLBSA-N	320.780	1.754	50	20	DDGD	
O=C(NNc1cnccn1)c1ccc(N=c2cc[nH]cc2)cc1	747933834	DUJTUWMOVKKQHN-UHFFFAOYSA-N	306.329	1.794	50	20	DDGD	
C[C@@H]1CCCc2ncc(C(=O)NNC(=O)c3cccn3C)n21	844302136	DHAQPMOJRFBMQX-SNVBAGLBSA-N	301.350	1.194	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)n1)c1ccc2c(c1)OCO2	749400296	AJNINHRRTKVUFY-UHFFFAOYSA-N	319.704	1.539	50	20	DDGD	
O=C(C[C@H]1CCCCO1)NNc1ncc(Br)cn1	848321542	WMEYGKVJKPPPDH-SECBINFHSA-N	315.171	1.641	50	20	DDGD	
Cn1nc(C2CC2)nc1CC(=O)NNc1ccc([N+](=O)[O-])cc1	843831623	NANBIAVYHFMAIL-UHFFFAOYSA-N	316.321	1.287	50	20	DDGD	
Cn1ncc2c1CCCC2=NNC(=O)CCN1CCCCCC1	915951822	KKWLLRSXOUGGCE-UHFFFAOYSA-N	317.437	1.843	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccnc(OCc2ccccc2)c1	910168850	SCEOMFUSDCQTFL-CYBMUJFWSA-N	315.373	1.618	50	20	DDGD	
CCc1ncc(C=NNC(=O)COc2ccccc2OC)cn1	841606954	OTSGVZXWDQUQLG-UHFFFAOYSA-N	314.345	1.577	50	20	DDGD	
COc1ccc([C@@H](C)C(C)=NNC(=O)C(=O)NC2CC2)cc1	747629604	JLZCFHQPRFMWOX-JTQLQIEISA-N	303.362	1.569	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N[C@H]1CCC[C@H](N)C1)c1ccccc1	841980800	HDYSVXRKTYEMJL-KBPBESRZSA-N	318.421	1.565	50	20	DDGD	
CC(C)[C@H](NC(=O)NNC(=O)c1ncccn1)c1ccccc1	841577252	QBYHMVYOGJVEDY-ZDUSSCGKSA-N	313.361	1.818	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2cc(F)c(F)cc2F)CCN1	841989320	VAJXRUGZCMWIKJ-YUMQZZPRSA-N	302.300	1.871	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1scnc1C	915112206	YEDJBZOHTBOAFR-SNVBAGLBSA-N	310.423	1.260	50	20	DDGD	
O=C(NNC(=O)[C@H]1SCCc2ccccc21)c1ccccn1	742463657	UHNVIIONWMGYCA-AWEZNQCLSA-N	313.382	1.873	50	20	DDGD	
CCc1ncc(C=NNC(=O)COc2ccc(OC)cc2)cn1	841607854	ZVOUTIXDEKDKJK-UHFFFAOYSA-N	314.345	1.577	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)Cn2cnc(C)c2C)cc1C	744397332	IBNGNFJZWBBROQ-UHFFFAOYSA-N	320.418	1.893	50	20	DDGD	
Cc1cn2c(C=NNC(=O)[C@@H]3CCO[C@H]3C)c(C)nc2s1	842552892	CPIHZSXIPPCHKO-WDEREUQCSA-N	306.391	1.888	50	20	DDGD	
COCCCOc1cccc(C=NNC(=O)[C@@H]2CCO[C@H]2C)c1	842554522	JKEGIIUPXHZUNR-XJKSGUPXSA-N	320.389	1.977	50	20	DDGD	
COc1cccc(NNC(=O)c2cnc3n2[C@@H](C)CCC3)n1	845928847	PCMHOGXALLWAIA-JTQLQIEISA-N	301.350	1.941	50	20	DDGD	
C[C@@H](C(=O)OCC(=O)NNC(=O)c1cccs1)C(F)(F)F	745615607	FQANWISYDFDDGP-LURJTMIESA-N	324.280	1.251	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@@H]1COC[C@H]1C)c1ccccc1	926001377	YLGLCPCDGHKMLC-KWCYVHTRSA-N	305.378	1.546	50	20	DDGD	
CCN[C@H](C)CNC(=O)NNC(=O)CSc1ccc(C)cc1	841986793	VUQUCUDTBORVSO-GFCCVEGCSA-N	324.450	1.416	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccc(Cl)cc2C)nn1	928338477	ZDJMQALVPDYRDP-UHFFFAOYSA-N	309.757	1.643	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)c1cc(-c2ccccc2)[nH]n1	749755678	DQFNPLAXKVUVFB-JTQLQIEISA-N	317.418	1.984	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NN=c1sc2ccccc2n1C	844283561	ZUOPUPIHAAEYLY-UHFFFAOYSA-N	320.418	1.334	50	20	DDGD	
COCCOCc1ccc(C=NNC(=O)[C@H]2CCO[C@@H]2C)cc1	842561096	OJBRZLAKEQKRLT-CJNGLKHVSA-N	320.389	1.725	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@]2(C)CCCCO2)cc1	846376879	JCGLKVZIIZNLIQ-MRXNPFEDSA-N	306.362	1.804	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2	854928174	OMJAUYUFFQYRLX-UHFFFAOYSA-N	322.434	1.559	50	20	DDGD	
Cc1ccoc1C=NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C	853376268	INFBDRWKULESAY-IUODEOHRSA-N	316.361	1.940	50	20	DDGD	
CC(=NNC(=O)NCC1CC1)c1ccc(S(C)(=O)=O)cc1	920828802	GXJQJTZUGPRDQU-UHFFFAOYSA-N	309.391	1.523	50	20	DDGD	
CCCn1nc(C)c(C=NNC(=O)C(=O)NC(CC)CC)c1C	755738433	IOUMKQHDNJOICX-UHFFFAOYSA-N	321.425	1.665	50	20	DDGD	
CC(C)Oc1ncccc1C(=O)NNC(=O)OCC(F)(F)F	856018542	BWEYJYREMJXWMW-UHFFFAOYSA-N	321.255	1.802	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2ccc(C#N)c(Cl)c2)c[nH]1	753303875	UOYGLSVSFZUFNU-UHFFFAOYSA-N	302.721	1.965	50	20	DDGD	
Cc1cc(C(=O)NN=C[C@@H]2CCCO[C@H]2c2ccnn2C)n[nH]1	853322611	WABKFUXHFDJKGC-SMDDNHRTSA-N	316.365	1.335	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CN2[C@H](C)CC[C@H]2C)nc1	759738524	PEXMTKDQLSAMOQ-GHMZBOCLSA-N	306.366	1.184	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccccc1N(C)C	755636950	JYWYWEYZZAJCSI-UHFFFAOYSA-N	302.338	1.251	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)CC[C@H]1NC(=O)NC1=O	854578587	JNZGWDNCDBVSTC-GFCCVEGCSA-N	318.377	1.550	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(-c2csnn2)cc1	756207493	QUFPWKRMMIDYIH-UHFFFAOYSA-N	307.335	1.004	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C2(C#N)CC(C)C2)c1	758151558	KBEPDEJGEMBUEU-UHFFFAOYSA-N	317.345	1.405	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)c1ccsc1	758838158	BURFRPWXGHKTIB-VIFPVBQESA-N	318.358	1.033	50	20	DDGD	
CC(C)n1cc(NC(=O)NNC(=O)Cc2ccc(F)cc2)cn1	756827470	VFEYGGHGPRYYSX-UHFFFAOYSA-N	319.340	1.999	50	20	DDGD	
CCONC(=O)CNC(=O)NNc1ccc(F)cc1Cl	923083633	PYKCRPVSBZPXGV-UHFFFAOYSA-N	304.709	1.173	50	20	DDGD	
O=C(Cc1ccncc1)NN=Cc1cn(-c2ccccc2)nn1	755756191	SIGHZVXQSLNLLJ-UHFFFAOYSA-N	306.329	1.355	50	20	DDGD	
CN1CC[C@H](N(C)C(=O)NC[C@]2(C)C[C@H]2Br)C1=O	856956736	UGCVATJYHLYJMJ-SBMIAAHKSA-N	318.215	1.032	50	20	DDGD	
O=C(NCC1CCN(CC2CC2)CC1)NNc1cccnn1	852707952	MNWCHFRNDOERIS-UHFFFAOYSA-N	304.398	1.225	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@@H]1CCN(CC2CC2)C1	856867656	WNZQONYUMBYOGZ-LLVKDONJSA-N	310.789	1.240	50	20	DDGD	
Cn1c(NNC(=O)CCC2(C)CC2)nc2ccccc2c1=O	932751008	DORSRYNPRKKBLA-UHFFFAOYSA-N	300.362	1.957	50	20	DDGD	
Cc1ccc(C(F)(F)C(=O)NNC(=O)Cc2cc[nH]n2)cc1	755280689	XEHYJCMIVMZNCP-UHFFFAOYSA-N	308.288	1.200	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)[C@H]2CCCCO2)cc1F	853352774	HBEJKWOVROUSOC-CYBMUJFWSA-N	308.309	1.632	50	20	DDGD	
CCn1ccc(C(=O)NNc2cccc(C(=O)OC)c2C)n1	855623608	JKOAPMQNUMIWHM-UHFFFAOYSA-N	302.334	1.755	50	20	DDGD	
COc1ccc(NNC(=O)c2coc(C(N)=O)c2)c([N+](=O)[O-])c1	759956261	IBGKBSSORSZRDN-UHFFFAOYSA-N	320.261	1.052	50	20	DDGD	
C#CC[C@H](CCOC)NC(=O)NNC(=O)c1cccc(Cl)c1	859026895	VZBNLONZMCQIFH-CYBMUJFWSA-N	323.780	1.712	50	20	DDGD	
C[C@@]1(CNC(=O)CSc2nncs2)C[C@@H]1Br	857397334	FTKGGZVSFAJOEZ-RCOVLWMOSA-N	322.253	1.920	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1C	852395113	ZZUVXMOUDDEVPM-HIFRSBDPSA-N	319.405	1.601	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CS(=O)(=O)C(C)C	751165456	WGHRFLQUBDXIJF-UHFFFAOYSA-N	317.319	1.332	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)N1	862461982	NUGQNMGJUDPZNK-FDYHWXHSSA-N	307.394	1.019	50	20	DDGD	
CC(C)COc1ccccc1C=NNC(=O)[C@H]1CCC(=O)N1	863151053	GKQQKPRYDURUFD-CYBMUJFWSA-N	303.362	1.450	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]c1=S)[C@@H]1COCCO1	862291189	GOKDWRNVKCZYKI-JTQLQIEISA-N	306.347	1.151	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccnc(N2CCCCC2)c1	934088461	VNXDSPRRUFDCMW-UHFFFAOYSA-N	307.398	1.687	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1ccc2cccnn12	863097564	OISZHDAVDGEJDZ-UHFFFAOYSA-N	308.210	1.766	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H]2CCc3nccn3C2)c1	862478063	RRBQXASEDAETGE-SNVBAGLBSA-N	304.375	1.277	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)nc1O	762841308	MFGZHGQDMPTBHG-ZETCQYMHSA-N	318.293	1.041	50	20	DDGD	
CCCCCCN(C)Cc1nc(-c2cccc(B(O)O)c2)no1	863893435	VRZZXVTXEVRURA-UHFFFAOYSA-N	317.198	1.429	50	20	DDGD	
CC[C@@]1(C)COCCN1CC(=O)NNC(=O)c1ccc(C)cc1	761110456	PCPZYRPIQQIBLC-KRWDZBQOSA-N	319.405	1.257	50	20	DDGD	
Cc1cn2ccnc(C(=O)NNc3cnnc4ccccc34)c2n1	762867972	WSTAWTMDDOICLB-UHFFFAOYSA-N	319.328	1.738	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2[C@H](C)O[C@H](C)[C@@H]2C)c(O)c1	863859587	KLNSXIBAYRPWOU-MIJXAVMKSA-N	306.362	1.521	50	20	DDGD	
CCC(=O)N[C@@H](CCSC)C(=O)NNc1cccc(C)n1	862524272	WKOQRTIYCNBKBU-NSHDSACASA-N	310.423	1.481	50	20	DDGD	
CCOc1cc(C)ccc1NC(=O)C(=O)NNc1cnccn1	766257074	PVGGJXMCRPIARQ-UHFFFAOYSA-N	315.333	1.266	50	20	DDGD	
O=C(NN=C1C[C@@H]2CCCc3cccc1c32)C(=O)N1CCCC1	763364467	XYWDIYYOOYBFJL-ZDUSSCGKSA-N	311.385	1.953	50	20	DDGD	
COCCc1ccnc(NC(=O)NN=c2cc[nH]c(C)c2)c1	861105513	BXVUHVOWPLTBDW-UHFFFAOYSA-N	301.350	1.544	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCCC(C)(C)OC	868989453	JURKPUYXHLPVDP-UHFFFAOYSA-N	323.393	1.383	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2O)C[C@@H](C)O1	768123107	XUOUUXOJYDSINM-JGPRNRPPSA-N	307.350	1.292	50	20	DDGD	
O=C(NNc1cncc(Br)c1)c1cc[n+]([O-])cc1	1116394149	LNDBIDAVYOUNDY-UHFFFAOYSA-N	309.123	1.234	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2cc(C)c(C)cc2Cl)n[nH]1	869014452	HXTDPCOUAGECAF-UHFFFAOYSA-N	320.780	1.992	50	20	DDGD	
Cn1ccnc(NNC(=O)c2cnc3ccc(F)cc3c2)c1=O	760167496	NMWCIDOUWPPJOS-UHFFFAOYSA-N	313.292	1.225	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@H](C)c1ccc(Cl)c(F)c1	1116431604	INSYOECSRBVVCU-ZCFIWIBFSA-N	317.704	1.044	50	20	DDGD	
Cc1cccc(NNC(=O)NC[C@@H]2CCN(CC(C)C)C2)n1	875369198	GOAZNBSXBTVETC-AWEZNQCLSA-N	305.426	1.994	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C#CC(C)(C)C)cn1	874954933	FJKWVYDMEZXDJC-UHFFFAOYSA-N	306.391	1.457	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H](C)n2ccnc2)n1	1116285485	NWYMWDXBDMNHCN-LLVKDONJSA-N	303.370	1.224	50	20	DDGD	
Cc1oc2ccc(NC(=O)C(=O)NNC(=O)C(C)C)cc2c1C	773494639	WCXNYMXKJNKNSY-UHFFFAOYSA-N	317.345	1.792	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2nc3cccnc3s2)n1	773605352	VUCOGOVTGBOAGA-UHFFFAOYSA-N	315.362	1.304	50	20	DDGD	
CC(C)CCOc1ccc(C(=O)NNC(=O)[C@@H](C)N(C)C)cc1	873787895	ZSZMEEKRBKOYSW-CYBMUJFWSA-N	321.421	1.823	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(Cl)ccc1O	771891540	NJJZUJJTZZACML-SSDOTTSWSA-N	314.725	1.148	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)N=c1cc[nH]cc1[N+](=O)[O-]	770621544	FKBUAFAJPZBABR-UHFFFAOYSA-N	317.309	1.474	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(CCOC)CCCC1	772188235	ONQVWTYVNHCSFY-LLVKDONJSA-N	314.382	1.072	50	20	DDGD	
CCC1(O)CCC(NC(=O)NNC(=O)Cc2cccnc2)CC1	771964146	GZOLGRIUOFHJNU-UHFFFAOYSA-N	320.393	1.038	50	20	DDGD	
Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)NNc1ccccn1	777473615	FFVOGCYMFAQEPK-UHFFFAOYSA-N	324.388	1.974	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@]12CCOC2)c1nc2ccccc2s1	874914258	QJINTPGFKYVMLH-PSLIRLAXSA-N	317.370	1.484	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCN(C2CCCCC2)CC1	779822805	HEKIRDBENKTLOA-UHFFFAOYSA-N	310.398	1.243	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H]2CCN(CC(F)(F)F)C2)cc[nH]1	875182510	QBESQNVOFIXAKP-LLVKDONJSA-N	317.315	1.075	50	20	DDGD	
Cc1cc(=NNC(=O)NCC(C)(C)CN2CCCC2)cc[nH]1	875529784	URXXRMRNQJYISW-UHFFFAOYSA-N	305.426	1.560	50	20	DDGD	
Cc1ncncc1C(=O)NNC(=O)NCc1ccc(Cl)cc1	1116743324	IOPGIFUTQRFHBU-UHFFFAOYSA-N	319.752	1.583	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cc2c(cc1F)NC(=O)CC2	779928877	IHRYPUGOHOKKSS-UHFFFAOYSA-N	308.313	1.519	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)CC2(O)CCC2)cc1	874953484	FTWGEUURRZHETR-UHFFFAOYSA-N	322.434	1.375	50	20	DDGD	
N#CSCCCNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1	773589495	WWAJUKYRRFRRQO-AWEZNQCLSA-N	317.414	1.756	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1ccccc1OC(F)F	872403385	XLNSTOMNHCEYTC-UHFFFAOYSA-N	316.304	1.791	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)Nc1ccccc1C)[C@@H]1CCCO1	773545635	CDWZIINWDYDFAT-JSGCOSHPSA-N	316.361	1.512	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)COC2(C)CCC2)cc1	773035789	MEMXLIXIVDKNPR-UHFFFAOYSA-N	320.389	1.734	50	20	DDGD	
NCCOCc1cn([C@@]2(Cl)C[C@H]2CCBr)nn1	881382423	LZMJOJZUWIARBZ-SCZZXKLOSA-N	323.622	1.450	50	20	DDGD	
Cc1nnc(NNC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)nc1O	782111603	IWEZEOLZUIJCHH-WDEREUQCSA-N	309.370	1.170	50	20	DDGD	
C=CCC1(O)CCN(C(=O)NNC(=O)c2ccccc2C)CC1	884016696	CATXVADATLFASO-UHFFFAOYSA-N	317.389	1.752	50	20	DDGD	
CCOC(=O)C1(CC(=O)NNc2ncccc2[N+](=O)[O-])CCC1	789905002	UIZCYRLIRFYNAR-UHFFFAOYSA-N	322.321	1.556	50	20	DDGD	
Cc1cccnc1C=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1	781584913	CHOIEEGVFPWWEY-KFWWJZLASA-N	318.421	1.585	50	20	DDGD	
Cn1c(CC(=O)NNC(=S)NC2(C)CC2)nc2ccccc21	789174829	XMEYKANDIRAQID-UHFFFAOYSA-N	317.418	1.164	50	20	DDGD	
O=S(=O)(CCCCCl)NC[C@H](O)CCc1ccccc1	780838086	XQJRLFQJZSNHQH-CQSZACIVSA-N	319.854	1.919	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H](C)[C@H]1CCCOC1	780010292	DRDONTOUXXLZPH-RYUDHWBXSA-N	321.377	1.454	50	20	DDGD	
N#Cc1cc(O)cc(C(=O)NNC(=O)c2cccc(Cl)c2)c1	788262999	SWJMARHNQZWIOU-UHFFFAOYSA-N	315.716	1.992	50	20	DDGD	
COC(=O)c1cc(C(=O)NN=c2cc[nH]c3ccccc23)on1	781428040	XIYVPFBAGLZYKM-UHFFFAOYSA-N	312.285	1.188	50	20	DDGD	
CN(C)CCOCCNC(=O)NNc1cc(F)c(F)c(F)c1	788020068	WBTAITUSNQOSME-UHFFFAOYSA-N	320.315	1.308	50	20	DDGD	
CNC(=O)CCCNC(=O)NNc1ccc(Cl)c(OC)c1	788892265	AUARCJHYIHOCEH-UHFFFAOYSA-N	314.773	1.501	50	20	DDGD	
NC(=O)c1ccccc1CCC(=O)NN=c1cc[nH]cc1Cl	792329378	PTHBSOQMKWGZRA-UHFFFAOYSA-N	318.764	1.332	50	20	DDGD	
Cn1cc(C(=O)NNc2ncnc3[nH]cnc23)c(-c2ccoc2)n1	790754078	RWCVEICGWYTUSQ-UHFFFAOYSA-N	324.304	1.103	50	20	DDGD	
CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)c1ccc2ccccc2n1	899903885	BHQAOPCKYVFQFA-QMTHXVAHSA-N	301.346	1.403	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2nc(Cl)sc2C)n1	795671482	RKQKVIQZKXVNAE-UHFFFAOYSA-N	310.766	1.883	50	20	DDGD	
Cc1c[nH]ccc1=NC(=O)NNc1ccc2c(=O)[nH]ccc2c1	794255470	OIBHHMCFFCHPNV-UHFFFAOYSA-N	309.329	1.802	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc(F)ccc2[N+](=O)[O-])n1	794075220	HPBKGEKJPPHZIG-UHFFFAOYSA-N	318.264	1.512	50	20	DDGD	
O=C(CCc1nc2ccccc2o1)NNc1nc2ccccn2n1	791247817	BFGZXANCWQKBJX-UHFFFAOYSA-N	322.328	1.946	50	20	DDGD	
CC(C)c1ncc(CN(C)CC(=O)NNC(=O)C(C)(C)C)cn1	799337146	SCWGGZKQZPXGLE-UHFFFAOYSA-N	321.425	1.225	50	20	DDGD	
Cc1ccc2c(c1)S[C@@H](C(=O)NNC(=O)c1ccc[nH]1)C2	1317930522	SZCKVGCPANIXCZ-CYBMUJFWSA-N	301.371	1.801	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cnc(C(C)C)[nH]1	1318679939	ZTRHRKRFZHNSGX-UHFFFAOYSA-N	302.334	1.617	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNC(=O)C2CCNCC2)cc1	1328645728	VKULJZVREJNYKC-UHFFFAOYSA-N	304.350	1.042	50	20	DDGD	
NC(=S)c1ccc(C(=O)NNc2nncc(N)c2Cl)cc1	1321309380	ONCFVBVKANSSIS-UHFFFAOYSA-N	322.781	1.103	50	20	DDGD	
CN[C@@H](C)CCNC(=O)NNC(=O)C(C)(C)c1ccccc1	1327486491	LRQHSHXLFUZBFH-LBPRGKRZSA-N	306.410	1.293	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H](C)Oc2ccccc2F)ncn1	1326191858	BBBIECLEEYHFQQ-LLVKDONJSA-N	302.309	1.842	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@H]1C[C@@H]1F	1338878231	DBUCSKXNPLSSCS-SWPVVBRQSA-N	300.717	1.613	50	20	DDGD	
O=C(NN=C1CCN(CC(F)(F)F)CC1)c1cccnn1	1331992223	WFTAPRWDCGXJIQ-UHFFFAOYSA-N	301.272	1.221	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ncc3n2CCCC3)cc1	1332411251	QCIRHUGWYOQCOQ-UHFFFAOYSA-N	314.345	1.303	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(C)nn1-c1ccc(C)cc1	1337767295	RGAAYAKMNNGSLT-UHFFFAOYSA-N	317.349	1.288	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCc2nc[nH]c2[C@@H]1c1cccnc1	1336534066	KKPMOKNODVIWIA-ISBHARSQSA-N	323.356	1.723	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2CCC[C@H]2OC)c1	1262674548	CXXHBOUIGNJTCS-ZIAGYGMSSA-N	322.361	1.280	50	20	DDGD	
C[C@H](CC1CCCCC1)NC(=O)NNC(=O)C1CCNCC1	1348554368	BKEGJRVEJQIYBI-GFCCVEGCSA-N	310.442	1.675	50	20	DDGD	
CC(C)OCCCNC(=O)/C(C#N)=C\c1nn(C)cc1Cl	1353989441	PACUZAZHJKARDY-XFFZJAGNSA-N	310.785	1.912	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2ccc(C(=O)O)cc2F)CCO1	1604676877	QACHFAMUWJDNND-PSASIEDQSA-N	311.313	1.718	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2ccnc(F)c2F)c1F	1602449970	FRFGOTVUKUVDBC-UHFFFAOYSA-N	311.219	1.954	50	20	DDGD	
CO[C@H](C(=O)O)C(=O)NNc1ccc(Br)cc1F	1604435044	PHUVHQYGQPWZAM-QMMMGPOBSA-N	321.102	1.131	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1ccsc1C(=O)O	1600592781	LFOOEEWSVCNOHU-UHFFFAOYSA-N	320.330	1.232	50	20	DDGD	
C=C[C@@H](NNC(=O)c1ccc(-n2c(C)ccc2C)cc1)C(=O)O	1609272213	KRVPBPRLEJSXQV-OAHLLOKOSA-N	313.357	1.968	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H](C(=O)O)C(C)C)ccc1C	1604375937	FGTJUISSWZAZRT-GFCCVEGCSA-N	308.334	1.582	50	20	DDGD	
O=C(O)c1cc(C(=O)NNc2c(F)cc(F)cc2F)on1	1602247204	PUBLRTKNARAEON-UHFFFAOYSA-N	301.180	1.547	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1nccnc1Cl	1606861582	NBJRNSZKJMEMDT-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c(C2CC2)n1	1609478285	OSEZNGWQOCHUKK-UHFFFAOYSA-N	324.348	1.235	50	20	DDGD	
O=C(Cn1cc(C(=O)O)cn1)NNc1cc(F)c(F)c(F)c1	1601379580	ZCBFMQHECSKWPE-UHFFFAOYSA-N	314.223	1.142	50	20	DDGD	
CC(C)C[C@H](C)NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1603259562	MDZYBJMQNKUIQJ-VIFPVBQESA-N	304.358	1.322	50	20	DDGD	
O=C(Cc1cc(C2CC2)no1)NNc1cccc(C(=O)O)c1	1601364175	HAXQIMYMUGKDHU-UHFFFAOYSA-N	301.302	1.936	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNc1ccc(C(=O)O)cc1OC	1609899768	LJEPQIXPZHNGLV-NOZJJQNGSA-N	310.350	1.898	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@H]1C(=O)NN=Cc1cocn1	1549313331	FGHGEGZFJGQILP-NEPJUHHUSA-N	303.322	1.026	50	20	DDGD	
CCn1nccc1[C@H]1OCCC[C@@H]1C=NNC(=O)c1ccon1	1553288204	RYTRTYQGDDGFKX-RISCZKNCSA-N	317.349	1.775	50	20	DDGD	
COC[C@]1(C(=O)NNc2cc(Cl)nc(C)n2)CCCCN1	1578977103	RZPNAFFREFAZJB-ZDUSSCGKSA-N	313.789	1.040	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NC[C@@]1(C(=O)O)CCOC1	1589700538	ZBYSOHILIYQBEQ-PELKAZGASA-N	322.199	1.404	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)C23CC(F)(C2)C3)C1	1841652150	BACUOPHCVODABC-ALXWSUNGSA-N	318.751	1.616	50	20	DDGD	
COC[C@](C)(NS(=O)(=O)c1ccc(CCl)cc1)C(=O)O	1599155150	LNKLAXRWYFXIEN-LBPRGKRZSA-N	321.782	1.193	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)c(Cl)c2)C1	1593388052	GFJJFLBNHRRALR-ZETCQYMHSA-N	320.740	1.332	50	20	DDGD	
N#CC1(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)CCCCC1	1592667481	XJZYQMQAOJMPEC-UHFFFAOYSA-N	312.337	1.179	50	20	DDGD	
O=C(O)CC1(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)CCC1	1594976516	VPHDCQKWFSWRDB-UHFFFAOYSA-N	315.329	1.616	50	20	DDGD	
CCOc1cc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)on1	1590837221	BPYKQABVTXLQRU-UHFFFAOYSA-N	315.293	1.010	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)c1ccc(C(=O)O)[nH]1	1598541428	NDGJOBPVYBNXLM-UHFFFAOYSA-N	317.301	1.626	50	20	DDGD	
O=C(O)c1cc(F)c(C=NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)c(F)c1	1776090977	MAYQFECJQKVYGR-VYUIOLGVSA-N	324.283	1.681	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=C1CCCc2ncc(C(=O)O)cc21	1776082399	OCJFFHUUPAIGBP-KOLCDFICSA-N	317.345	1.361	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccccn2)cc1	11026936	DBTTUAHFLLOPDM-UHFFFAOYSA-N	313.313	1.008	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cccs1)Cc1ccccn1	161045944	VVEWBHMEMLRQRJ-UHFFFAOYSA-N	318.402	1.426	50	20	DDGD	
O=C(C[C@H]1CSCCS1)NNc1nccnc1Cl	162266013	PULDYLPRCXGJMP-ZETCQYMHSA-N	304.828	1.812	50	20	DDGD	
Cc1nc(CC(C)C)c(NC(=O)NNC(=O)CN(C)C)s1	162880236	OGCNLYUGNPEXRH-UHFFFAOYSA-N	313.427	1.364	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCc2ccncc2C)n1	164049677	CMSIKNPMFGHNPK-UHFFFAOYSA-N	300.366	1.666	50	20	DDGD	
Cc1csc(CC(=O)NNC(=S)NCc2ccccc2)n1	7027268	IHFKTQKUGPMDBL-UHFFFAOYSA-N	320.443	1.690	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)c1cccc(C#N)c1	7810281	UGLPKPLFBWOHCF-UHFFFAOYSA-N	319.324	1.589	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1ccccc1F)N1[C@H](C)CC[C@H]1C	109020672	WVDIFFJSXRJIKY-UPJWGTAASA-N	321.396	1.777	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cc(C2CC2)[nH]n1	55354022	YQIKXBMRJGBDET-UHFFFAOYSA-N	314.345	1.299	50	20	DDGD	
CCc1nc(CCNC(=O)NNc2nccc(OC)n2)cs1	102575109	IJAHOEUTEORKSE-UHFFFAOYSA-N	322.394	1.373	50	20	DDGD	
C=C(C)CN1CCC(NC(=O)NNc2ccc(C)nn2)CC1	106275443	ONSFSEPYTSNLAH-UHFFFAOYSA-N	304.398	1.452	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C2[C@@H]3CCC[C@@H]23)c1	178075045	NBFBVFMSABQGRK-CHWSQXEVSA-N	302.374	1.876	50	20	DDGD	
C[C@@H]1CCN(CCI)CC[S@]1=O	307708757	KDJICPGJLQNHNS-PRHODGIISA-N	301.193	1.264	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCC[C@H](C(=O)NCC2CC2)C1	171769959	LRLMWDSEJLJQLD-LBPRGKRZSA-N	324.425	1.012	50	20	DDGD	
C[C@@H](Oc1cccnc1)C(=O)NNC(=O)c1c[nH]c2ccccc12	117744949	BCOZEPZTZIHECX-LLVKDONJSA-N	324.340	1.791	50	20	DDGD	
CCCCOCC(=O)NNC(=O)Cn1ccc2ccccc21	118223789	BUPUJYDQQNZBRA-UHFFFAOYSA-N	303.362	1.605	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@@H]2CCCc3ccccc32)cn1	118052758	IHZGTCHHCZJGST-CQSZACIVSA-N	313.361	1.442	50	20	DDGD	
CCN(CC)CC(=O)NNC(=O)COc1cc(C)cc(C)c1	69973414	JEXPQRAKUXVAED-UHFFFAOYSA-N	307.394	1.171	50	20	DDGD	
Cn1cc(CNC(=O)NNC(=O)CCCc2ccccc2)cn1	69285916	FYUTZXWVZILVLM-UHFFFAOYSA-N	315.377	1.273	50	20	DDGD	
Cc1ccccc1-n1cc(C(=O)NNC(=O)c2c[nH]nc2C)cn1	69704943	XCSKTICNTBXVQZ-UHFFFAOYSA-N	324.344	1.287	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H]2CCCOC2)c1	171024735	FHVKVSASEISLGS-CYBMUJFWSA-N	306.362	1.256	50	20	DDGD	
O=C(NNc1ccccn1)c1ccc(=O)n(-c2ccccc2)n1	181210655	GUNPRGRQAWXMPF-UHFFFAOYSA-N	307.313	1.384	50	20	DDGD	
C[C@@H](Sc1nnnn1C1CC1)C(=O)NNc1ccncc1	183018121	GMDWMYZXCLLNRO-MRVPVSSYSA-N	305.367	1.027	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1ccc[nH]1)c1c(C)noc1C	123657953	AJIMKNDCZFDLFB-JTQLQIEISA-N	305.338	1.715	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)C(=O)NNc1cccc2c1CCCC2	120253842	DHPOHHSNNKCWDO-NSHDSACASA-N	310.419	1.689	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)CCOC(C)C	73687176	ZYJXUFVOMTYFAH-UHFFFAOYSA-N	308.378	1.590	50	20	DDGD	
CC[C@]1(C)CN(C(=O)NNC(=O)c2ccc(C#N)cc2)CCO1	187936680	NJTHBNWWLXJQET-MRXNPFEDSA-N	316.361	1.414	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cccc(-n2cccn2)n1	77004318	NQUQRZRKIGBWGH-UHFFFAOYSA-N	301.350	1.465	50	20	DDGD	
O=C(NNc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)CCO2	181358742	OORZPWATCYGEKC-UHFFFAOYSA-N	315.304	1.842	50	20	DDGD	
Cc1ccc(C[C@@H](C)C(=O)NNc2ncnc3nc[nH]c23)cc1	181696314	IMHDUDZENAHFEH-LLVKDONJSA-N	310.361	1.983	50	20	DDGD	
CC(C)NC(=O)CCNC(=O)/C(C#N)=C\c1ccc(F)cc1	182067291	COVVZQGKBHFILN-LCYFTJDESA-N	303.337	1.764	50	20	DDGD	
O=C(Cc1cccnc1)NNc1nnc(-c2ccccn2)s1	188208775	VLLMLUYOTIDTKM-UHFFFAOYSA-N	312.358	1.681	50	20	DDGD	
CC(=O)NNC(=O)CCOc1ccccc1Br	48823306	QGZVXOIVUAVXMQ-UHFFFAOYSA-N	301.140	1.385	50	20	DDGD	
CC(=O)NNC(=O)c1c(C)nn(Cc2ccccc2Cl)c1C	192863723	UJBNIYGOBHTYLP-UHFFFAOYSA-N	320.780	1.983	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H](C)C(C)(C)CN(C)C)n1	85363469	NHTDBBCURUNOCK-LBPRGKRZSA-N	308.430	1.696	50	20	DDGD	
CC(C)NC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	193040961	KCRNBVULTHEOKF-YHYXMXQVSA-N	304.262	1.935	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNC(=O)CCc1ccccc1	132595739	YNZQSDKLHWKMMM-UHFFFAOYSA-N	301.346	1.614	50	20	DDGD	
C=Cc1ccc(C(=O)NNC(=O)Cc2cn3ccccc3n2)cc1	192144304	ODVOWAIFKTXSLZ-UHFFFAOYSA-N	320.352	1.981	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)c1cc(C)n[nH]1)c1ccccc1F	192196329	YZWFZHBDPKQAEV-OAHLLOKOSA-N	320.324	1.180	50	20	DDGD	
CC(C)CN1N=C(C(=O)NNc2cc(Cl)ccn2)CCC1=O	135375286	XLIYXUOCVPSBNL-UHFFFAOYSA-N	323.784	1.813	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccncc2)c1[N+](=O)[O-]	192740047	RZVDZDMPSATZKU-UHFFFAOYSA-N	300.274	1.373	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(CN2CCCCC2=O)cc1	139177981	RERIHVQJRYZHSY-UHFFFAOYSA-N	318.377	1.163	50	20	DDGD	
Cc1noc(Cl)c1CCC(=O)NNC(=O)c1ccncc1	195330289	YMLUYLFLOHIFRZ-UHFFFAOYSA-N	308.725	1.425	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)CC1CCCC1	195213575	YHAMVLZUNIVJAA-UHFFFAOYSA-N	311.426	1.657	50	20	DDGD	
C[C@H](O)c1cn(CC(=O)NNc2cccc3c2CCCC3)nn1	269607236	MYXLVGMSQRUBER-NSHDSACASA-N	315.377	1.354	50	20	DDGD	
O=C(NNC(=O)c1cccc(Br)c1)NC1CCC1	266745846	MHRSMYYYAXWHOF-UHFFFAOYSA-N	312.167	1.946	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNC(=O)CNc1ccc(C)cc1C	268294838	YTINYIMGRBZMCP-GFCCVEGCSA-N	321.377	1.062	50	20	DDGD	
Cc1nc(-c2ccccc2)ncc1C(=O)NNC(=O)NC1CC1	268906771	XTBFNHDNVFMVBY-UHFFFAOYSA-N	311.345	1.558	50	20	DDGD	
CCCCOCCNC(=O)NNC(=O)c1ccccc1OC	264587097	UMGOKNLIZXAHGE-UHFFFAOYSA-N	309.366	1.456	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)N1CCC[C@H]1C1CC1	369535056	MOLHPRWTGVEUKA-HNNXBMFYSA-N	317.389	1.818	50	20	DDGD	
CCCn1nc(C)c(C(=O)NNc2cc(Cl)nc(N)n2)c1C	273325887	HZPWBTDJAIFGRU-UHFFFAOYSA-N	323.788	1.692	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@H](NC(=O)NNC(=O)c2ccccc2C)C1(C)C	271759086	DIMPUXSFOJBTOY-KWCYVHTRSA-N	319.405	1.999	50	20	DDGD	
O=C(NCCOCC(F)(F)C(F)F)NNc1ncccn1	277448420	KERKLZUGMKENJL-UHFFFAOYSA-N	311.239	1.020	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccnc(-c2ccc(Cl)cc2)n1	368276258	IBXBHMDBFWQPRL-UHFFFAOYSA-N	319.752	1.713	50	20	DDGD	
CC(=O)c1cccc(OC[C@@H](O)CN2CC=C(C#N)CC2)c1	272716882	YTCNGGNZUJOYSV-INIZCTEOSA-N	300.358	1.785	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cnn(C[C@@H]2CCCO2)c1	368319581	SNRSMDDKSXCJKI-JQWIXIFHSA-N	309.370	1.261	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCc1cnn(C)c1C	270256039	HCCIEPIGDZXVLO-UHFFFAOYSA-N	301.350	1.181	50	20	DDGD	
C[C@H]1CN(c2ccc(NC(=O)NNC(=O)C3CC3)cc2)CCO1	273196987	KJJQKMFISJVCIH-NSHDSACASA-N	318.377	1.474	50	20	DDGD	
C=C(CBr)CN1CCN(c2cnn(C)c2)C(=O)C1	279708775	KSRLKISUDWNRFQ-UHFFFAOYSA-N	313.199	1.020	50	20	DDGD	
Cc1cccnc1NNC(=O)CCn1c(C)c(C)sc1=O	276771020	SOFZLLSJKGSEHB-UHFFFAOYSA-N	306.391	1.763	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc2c(c1)oc(=O)n2C	273438551	XVRBIDQFASMPCA-UHFFFAOYSA-N	306.322	1.330	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1c(C)cc(C)cc1C	272404368	XWMHTJZOZPQRCS-ZDUSSCGKSA-N	323.393	1.816	50	20	DDGD	
COc1ccc(S[C@H](C)C(=O)NNC(=O)C(C)(C)O)cc1	276213148	HIFGONJXBYNHFQ-SECBINFHSA-N	312.391	1.094	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2cnn(CC(C)C)c2)c1	276003830	LDYACEYDZLUQKR-UHFFFAOYSA-N	316.365	1.324	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(C(=O)NC(C)C)cc1	277183442	VUERZVALLHVBNB-UHFFFAOYSA-N	321.381	1.523	50	20	DDGD	
COC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)Nc2ccccc2)C1	283804791	WGKXFTMKRHCLTQ-NEPJUHHUSA-N	319.361	1.819	50	20	DDGD	
CCOC(=O)N1CCC[C@H](C(=O)NNc2cccc(F)n2)C1	286573499	MDMRYFSRQOZVGL-JTQLQIEISA-N	310.329	1.532	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(Br)cc1C	288309020	CHZVDBXUNMUDFY-UHFFFAOYSA-N	301.184	1.981	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cccc(NC(=O)OC(C)(C)C)n1	286333666	LQYJQRNEFYYBTD-UHFFFAOYSA-N	324.337	1.772	50	20	DDGD	
CC(=O)NNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F	285263720	VLIZKAGUQGWAPU-CYBMUJFWSA-N	311.332	1.311	50	20	DDGD	
CC1=C(C(=O)NCC(Cl)Cl)[C@H](C)n2ncnc2N1C	297105600	NWFNYHNQXZRTLK-ZETCQYMHSA-N	304.181	1.483	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)Nc2cc(F)cc(F)c2)CCO1	802001814	VKLCLEWAQPXRJS-BDAKNGLRSA-N	313.304	1.933	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc(O)n1	294005532	VMMIPFWZYFQOQZ-CABZTGNLSA-N	307.350	1.239	50	20	DDGD	
COc1cccc(NNC(=O)Nc2cccc3c2COC3=O)n1	808907514	LZGICYUWZHTWOJ-UHFFFAOYSA-N	314.301	1.909	50	20	DDGD	
CC(C)c1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCCO2)c1	293292718	HNHPIIOZGLROQU-ZDUSSCGKSA-N	319.361	1.075	50	20	DDGD	
CC[C@H](Oc1ccccc1C)C(=O)NNC(=O)[C@H]1CCCCO1	295350931	IPZLLZMLDZGJQP-DZGCQCFKSA-N	320.389	1.869	50	20	DDGD	
O=C(C[C@H]1CCCC(=O)N1)NNc1cccc(F)c1[N+](=O)[O-]	290187269	OFFCZRSEZMNBQK-MRVPVSSYSA-N	310.285	1.236	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cnc(C(C)(C)C)nc2)n1	806365237	PZTCUHHALDXSJS-UHFFFAOYSA-N	300.366	1.938	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2ccc(N)nc2)n1	807945562	DWZUVFMFZAYLRM-UHFFFAOYSA-N	316.390	1.313	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)Cc2cccnc2)[C@H]2CCC[C@@H]21	296288044	IOTISBPENJLGBV-KBPBESRZSA-N	316.405	1.875	50	20	DDGD	
CON=CC(=O)NNc1ccc([N+](=O)[O-])cc1Br	809782235	LJJCIWLCXGHZPX-UHFFFAOYSA-N	317.099	1.433	50	20	DDGD	
CCS(=O)(=O)c1ccccc1C(=O)NNC(=O)CC1CC1	294259221	UEOJZZIRNAVQGJ-UHFFFAOYSA-N	310.375	1.041	50	20	DDGD	
C[C@@H](CO)N(CC1CCC1)S(=O)(=O)CBr	800940856	OMWVJXDARLWXSM-QMMMGPOBSA-N	300.218	1.152	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cnc(O)c2ccccc12	802032134	BMAKJKQHASFVTB-UHFFFAOYSA-N	323.312	1.224	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H](C)C2)cc1	802053797	AMZZLABZGODHLQ-WDEREUQCSA-N	307.350	1.663	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ncn(C(C)(C)C)n1	290930541	IZDAHKHGMXFNKA-UHFFFAOYSA-N	301.350	1.416	50	20	DDGD	
O=C(COCc1ccccn1)NNC(=O)Cc1ccccc1F	805181072	HTHNTALRHAGPLZ-UHFFFAOYSA-N	317.320	1.127	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C(C)(C)C)cc2c1OCCO2	298807165	MNAFLIUXTUGZQD-UHFFFAOYSA-N	308.334	1.274	50	20	DDGD	
CC(=O)NCc1ccc(C(=O)NNc2cccc(F)n2)cc1	804768481	FATCEPNWBKVBDN-UHFFFAOYSA-N	302.309	1.614	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1ccc(Cl)cc1F)C1CCC1	291748831	DQHQMOQEOWXCBO-NSHDSACASA-N	300.717	1.460	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12	299207420	FYSGBZVCRZERIC-UHFFFAOYSA-N	321.293	1.641	50	20	DDGD	
CNC(=O)NN=Cc1cc(OC)c(OCC(F)F)c(OC)c1	807965043	HEZXIYMANPIFKR-UHFFFAOYSA-N	317.292	1.611	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)Cn1ccc([N+](=O)[O-])n1	805376118	KSYNCQKDXDLTQL-UHFFFAOYSA-N	320.265	1.151	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC12CCC2)Nc1ccc2c(c1)OCO2	802092769	BJGZOQGQMZWRKK-JTQLQIEISA-N	303.318	1.758	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2cccc(F)n2)cc1F	810413496	GTOURXDHOBPQSI-UHFFFAOYSA-N	317.255	1.313	50	20	DDGD	
Cn1c(CC(=O)NN=C2CCn3cccc32)nc2ccccc21	818233308	HFUFVHUIUWPOHR-UHFFFAOYSA-N	307.357	1.842	50	20	DDGD	
O=C(NN=C1C[C@H]2CC[C@H]1C2)C1CCN(c2ncccn2)CC1	814837035	FFAGMQBJAIFRRY-JSGCOSHPSA-N	313.405	1.985	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)CCn1ccccc1=O	816339116	MAVPMZHJKNQQHQ-UHFFFAOYSA-N	305.309	1.529	50	20	DDGD	
CCC(CC)(CNC(=O)NNc1ccc(Cl)nn1)C(=O)O	818626779	IYFIVDNJEKLSJC-UHFFFAOYSA-N	315.761	1.647	50	20	DDGD	
CC(=NNC(=O)c1ccc(C)o1)c1cccc(-c2nn[nH]n2)c1	819773570	VHPPQMXIMZFVAU-UHFFFAOYSA-N	310.317	1.922	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1cnc2nccnc2c1	817005434	SYQOTIKAYLXHRI-UHFFFAOYSA-N	300.709	1.830	50	20	DDGD	
CCc1c(C(=O)NNc2ncncc2F)cnn1CC(C)C	817081824	JSOCWVBUTFBJNM-UHFFFAOYSA-N	306.345	1.788	50	20	DDGD	
C[C@@H]1C(=NNC(=O)C(=O)Nc2ccccn2)CC[C@H]1CC(=O)O	814869605	QSPLVNSFKOFDTF-UWVGGRQHSA-N	318.333	1.013	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@]2(C)CC2(F)F)c1	817512438	CKWVZEFBTNCPSB-CQSZACIVSA-N	312.316	1.875	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)O)CCC1=NNC(=O)c1ccc(O)c(O)c1	814920974	PEZJYOHZRTYGPW-SCZZXKLOSA-N	306.318	1.704	50	20	DDGD	
O=C(NNS(=O)(=O)CCc1ccc(Cl)cc1)C1CCC1	818049710	GYDLZULZMUFNIW-UHFFFAOYSA-N	316.810	1.633	50	20	DDGD	
CC(CCc1n[nH]c2ccccc12)=NNC(=O)Cc1cc[nH]n1	814957630	KUWHIISEDUJYFR-UHFFFAOYSA-N	310.361	1.953	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@]23CCC(=O)N2CCS3)cc1	817882358	KDGPFJVNPPQEAP-HNNXBMFYSA-N	321.402	1.594	50	20	DDGD	
O=C(NNc1ncncc1F)c1nnc2ccccc2c1O	817078864	YCKHXXNKJXMLOF-UHFFFAOYSA-N	300.253	1.021	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=C(C[C@H]1CCOC1)c1ccccc1	814955523	KWRLUQMRMVGICZ-CYBMUJFWSA-N	312.373	1.899	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNc2ncccc2C)nc1	816467526	BZPLBUBWXVMSRS-UHFFFAOYSA-N	300.318	1.719	50	20	DDGD	
CC[C@@H](C)CONC(=O)NNC(=O)Cn1ccc2ccccc21	813833325	VNNJCUCIZFIFOC-GFCCVEGCSA-N	318.377	1.949	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1ccccc1C(=O)O	814953782	UBGUNSJSBBPQNZ-UHFFFAOYSA-N	314.297	1.620	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cn1ccc2ccccc21)n1cccn1	729450753	OYTZMBPLSLOVBH-GFCCVEGCSA-N	311.345	1.246	50	20	DDGD	
CCn1nncc1C(=O)NNc1ccccc1Br	815850967	KOSLYMMMJQTLCO-UHFFFAOYSA-N	310.155	1.817	50	20	DDGD	
CN(C)CC(C)(C)CNC(=S)NNC(=O)CC(F)(F)F	727079115	JFHQZBJWZDLEAE-UHFFFAOYSA-N	314.377	1.022	50	20	DDGD	
CC(=NNC(=O)c1ccncc1)c1ccc(-c2nn[nH]n2)s1	823953766	PLQMVMUCSXHHEG-UHFFFAOYSA-N	313.346	1.477	50	20	DDGD	
O=C(CCN1CCOC1=O)NNc1ccc(Cl)c(F)c1	493781409	QLPYIQNKSWAUQK-UHFFFAOYSA-N	301.705	1.765	50	20	DDGD	
O=C(CC[C@@H]1CC1(Cl)Cl)NNC(=O)Cc1cccnc1	826123696	TUEOREVXTPQPLV-SNVBAGLBSA-N	316.188	1.746	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(-c2cncnc2)cc1F	823873337	ACMZINSOJMNYFU-UHFFFAOYSA-N	304.325	1.242	50	20	DDGD	
Cn1c(=NNC(=O)[C@@H]2C[C@]23CCNC3)sc2ccccc21	826619276	YKLXDWLYBXQYRT-BONVTDFDSA-N	302.403	1.171	50	20	DDGD	
CO[C@@H](C)CNC(=O)NNC(=O)c1cc(C)nc2ccccc12	821470816	XXGJYMZNRVKPPF-NSHDSACASA-N	316.361	1.522	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@@H](CCO)C2CCCCC2)cn1	491176945	SRIYPLHYCGTGDA-LRQZKABGSA-N	316.405	1.775	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccccc1	825582862	GQMWCMXWJRZCMM-MBNYWOFBSA-N	305.378	1.546	50	20	DDGD	
CCNC(=O)NNC(=O)/C=C\c1ccccc1OC(F)(F)F	491280785	ZFXNRKGBDGCZRV-FPLPWBNLSA-N	317.267	1.949	50	20	DDGD	
Cc1nn(CC(=O)NN[C@@H](C)C(F)(F)F)c2ncccc12	826942915	RPRJMELAJQUBOS-QMMMGPOBSA-N	301.272	1.311	50	20	DDGD	
CC(=O)CCc1ccc(OCCC(=O)NN(C)[C@H](C)CO)cc1	823965696	SPAYRJIQPXTLSC-CYBMUJFWSA-N	322.405	1.321	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccsc1NC(=O)c1ccco1	823959659	NJVSASWGOFQUSR-SECBINFHSA-N	323.374	1.551	50	20	DDGD	
CC(=NNC(=O)c1cccc(C#N)c1)c1cc(C(N)=O)n(C)c1	728781398	LPMMZPREIJRLII-UHFFFAOYSA-N	309.329	1.150	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C[C@@H](n1cccn1)C(F)(F)F	820709875	LYWADFYSCORVTI-SECBINFHSA-N	306.288	1.570	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1csc(-c2ccc(O)cc2)n1	823959161	CCMJYIKPAGWSCR-VIFPVBQESA-N	307.375	1.473	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@H](C)c1cccc(-c2nn[nH]n2)c1	821314752	NFCCXYANLDVVBB-PEHNMLCRSA-N	312.333	1.488	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccnc(-c2ccco2)c1	823475016	NEPQXXDDXMWLCP-PWSUYJOCSA-N	315.329	1.528	50	20	DDGD	
O=C(CC1(N2CCOCC2)CCCC1)NNC(=O)C1CCCC1	736000184	KGSUNTXPOVAIMK-UHFFFAOYSA-N	323.437	1.359	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H](C)Oc1cccnc1	735441416	WRGWEQLKKVPRLX-LLVKDONJSA-N	315.329	1.319	50	20	DDGD	
CCCN(C)C[C@H]1CCN(C(=O)/C(C#N)=C/c2cnn(C)c2)C1	491045677	FQLSYPZNRJFEAO-UVYNJXETSA-N	315.421	1.517	50	20	DDGD	
Cc1c(CC(=O)NNc2ncccc2C(F)(F)F)cnn1C	825984524	ASOLXPAGOXQSRE-UHFFFAOYSA-N	313.283	1.828	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1nc(-c2ccccc2)ns1	731218129	WRCOFTFHURPWJD-UHFFFAOYSA-N	321.362	1.394	50	20	DDGD	
CC(=NNC(=O)CSc1nnc(O)nc1O)C1CCCC1	733076508	NJWIEEOVXNZKKT-UHFFFAOYSA-N	311.367	1.057	50	20	DDGD	
Cc1ccc(/C=C(\C#N)C(=O)OC[C@@H]2CN(C)C(=O)O2)cc1	495729618	MPZXRCJUMCUUKK-GUNGLEHYSA-N	300.314	1.896	50	20	DDGD	
CCCN(C)CC(=O)NNC(=S)Nc1ccc(OCC)cc1	730275153	UVWJTMFCHIUAEI-UHFFFAOYSA-N	324.450	1.745	50	20	DDGD	
CC(C)[C@H]1N(C(=O)c2cccc(B(O)O)c2)CC12CCCCC2	584997712	HYVASELRGDLMBL-MRXNPFEDSA-N	315.222	1.797	50	20	DDGD	
CCOCCC1(CNCc2ccc(B(O)O)cc2F)CCCC1	585030527	GLZUDZRNZMRUCG-UHFFFAOYSA-N	323.217	1.582	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ncoc2C(C)C)c(O)c1	732274544	VHGCXQVEFXWHEB-UHFFFAOYSA-N	303.318	1.887	50	20	DDGD	
COCCCOCCN(C)C(=O)[C@]1(C)C[C@@H]1Br	907215055	KHUCVISUGVTNHO-CMPLNLGQSA-N	308.216	1.671	50	20	DDGD	
O=C([C@@H](F)c1ccc(C(F)(F)F)cc1)N1CC[C@@H](B(O)O)C1	585064206	NTIPPKPOSAYHHH-MNOVXSKESA-N	319.063	1.791	50	20	DDGD	
C#CCCCC(=O)NN=C1C(=O)Nc2c1ccc(OC)c2F	901325573	OOGQMZFHYJIGQV-UHFFFAOYSA-N	303.293	1.410	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)c1	837525324	TWDDKOCGUVJOLX-ZWKOPEQDSA-N	302.330	1.532	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)NCCC1CCCCC1	836237356	BIORYUXIQOWVLY-UHFFFAOYSA-N	305.382	1.810	50	20	DDGD	
O=C(NN=C1C[C@]2(CCOC2)Oc2ccccc21)c1ncon1	901287387	TUYLFFJHWHFHHN-HNNXBMFYSA-N	314.301	1.145	50	20	DDGD	
C[C@H]1CN(C[C@@H](C)C(=O)NN=CCCc2cnoc2)C[C@@H](C)O1	834932835	GTADURDMSHIYBF-MCIONIFRSA-N	322.409	1.455	50	20	DDGD	
CCCN1CCC[C@H]1C(=O)NNc1ccc(C(=O)OC)cc1F	837209612	QFKSRBXLOOSLIE-AWEZNQCLSA-N	323.368	1.930	50	20	DDGD	
CCn1cccc1C=NNC(=O)NCCNC(=O)OC(C)(C)C	834959362	JSSUFOPVOGZKRX-UHFFFAOYSA-N	323.397	1.666	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)C(=O)NNc1cnnc2ccccc12	839683803	KDMHNGDCMODOJT-LLVKDONJSA-N	310.361	1.685	50	20	DDGD	
CN1CCCC[C@@H]1C(=O)NNC(=O)NCCc1cccs1	737819832	YPDXBDRBAQKUST-GFCCVEGCSA-N	310.423	1.105	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)[C@H]2CCCCO2)[C@@H](n2cncn2)C1	834987459	XPKXACCTUQTPJX-KWCYVHTRSA-N	305.382	1.681	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C(C)(C)OC(C)=O)c(F)c1	837207413	NDYDJGFRDQGYJC-UHFFFAOYSA-N	312.297	1.397	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC3=N[C@H]4C=C[C@H]3C4)n[nH]2)cc1	739411066	FCZVXTCDAAYUKX-STQMWFEESA-N	307.357	1.976	50	20	DDGD	
C[C@H](NC(=O)[C@@]1(C)C[C@H]1Br)C1=CCN(C)CC1	907282787	FLALAQDNRPKJIC-NDMJEZRESA-N	301.228	1.927	50	20	DDGD	
CCC[C@@H](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	736426168	XXJALNCPMQZQDR-SNVBAGLBSA-N	316.365	1.454	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2csc(N3CCOCC3)n2)[C@@H](C)O1	834929081	WOOZDEUGLVUEDI-VHSXEESVSA-N	324.406	1.263	50	20	DDGD	
N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CC[C@H](B(O)O)C1	585078500	FLEGCGCYBOJOML-QMMMGPOBSA-N	321.067	1.577	50	20	DDGD	
CC(C)(C)c1csc(CCNCc2ccc(B(O)O)cc2)n1	585021998	GVXOOEPKVGGBSR-UHFFFAOYSA-N	318.251	1.453	50	20	DDGD	
C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)NNC(=O)N=c1cc[nH]cc1	838504210	VWAKIDVZZINTLK-PJXYFTJBSA-N	305.382	1.664	50	20	DDGD	
OB(O)c1cccc(CN[C@H]2CCC[C@H]2Cc2ccccn2)c1	585047553	RGPUKUNLDCUQKS-YJBOKZPZSA-N	310.206	1.262	50	20	DDGD	
CC(C)C(=O)NNC(=O)CCC(C)(C)NC(=O)OC(C)(C)C	737766515	OTJDWJYDTCFMNO-UHFFFAOYSA-N	315.414	1.873	50	20	DDGD	
CCN(C)c1ccccc1CNC(=O)NNC(=O)c1ccc[nH]1	730136069	WNSOTNDBYQJLIC-UHFFFAOYSA-N	315.377	1.615	50	20	DDGD	
CCC(NC(=O)c1ccc(B(O)O)c(F)c1)(C1CC1)C1CC1	585009792	CXJULKFCQDKYOH-UHFFFAOYSA-N	305.158	1.204	50	20	DDGD	
CCOCC(=O)NN=Cc1ccc(OC)c(OC(F)F)c1	731152952	YARBGSWSUNTHAS-UHFFFAOYSA-N	302.277	1.783	50	20	DDGD	
C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NNC(=O)C1CCC1	732140794	DHBDMGAVUIRQFJ-LLVKDONJSA-N	313.357	1.449	50	20	DDGD	
CCn1cc(C(=O)NNc2ccccc2S(C)(=O)=O)cn1	734016107	KQPWCLKAFFYEIB-UHFFFAOYSA-N	308.363	1.063	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCCNC(=O)C2CC2)cc1	915060747	UKSQURFKUKLRLJ-UHFFFAOYSA-N	317.389	1.316	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)NCCCS(C)(=O)=O	918171682	WDZCIBYJANEUED-UHFFFAOYSA-N	319.814	1.709	50	20	DDGD	
COc1ccc(CC(=O)NNc2cccnn2)cc1[N+](=O)[O-]	736704133	NBQJURBRAQXUPW-UHFFFAOYSA-N	303.278	1.079	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCCN1CCCCCC1=O	915905602	OKAPPTQXLSRWIT-UHFFFAOYSA-N	312.414	1.156	50	20	DDGD	
O=S(=O)(CCl)N1CCN(c2cccc(F)c2F)CC1	830529989	SNPZYAIDRCOXJQ-UHFFFAOYSA-N	310.753	1.613	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C1CN(C(=O)C2CCCCC2)C1	836388315	NAZIHCBHWXUETM-UHFFFAOYSA-N	309.410	1.219	50	20	DDGD	
CC(=NNC(=O)c1sc(N)nc1C)c1cnn(C(C)C)c1	746683632	YTVOGQHAYWNHAT-UHFFFAOYSA-N	306.395	1.965	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1cccc2[nH]ncc12	749848712	YDIGGHKRRYDNNR-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
O=C(NCc1ccon1)NNC(=O)c1ccc(Cl)cc1F	747511219	DLHWEDUHKOZJNQ-UHFFFAOYSA-N	312.688	1.611	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)C(=O)NC1CC1)CCC2	741846883	FUWGTBPTGCLDPI-UHFFFAOYSA-N	301.346	1.130	50	20	DDGD	
CC(C)C(=O)NNC(=O)NNC(=O)c1cccc2ccccc12	743629552	ATROTQYTZLCCGW-UHFFFAOYSA-N	314.345	1.471	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc(Br)cs1	742376290	OVDDWIBEGZDLGB-UHFFFAOYSA-N	318.196	1.865	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1C1CCC1)c1ccc2c(c1)OCCO2	844305351	VGAJORZPSWNUMO-QWHCGFSZSA-N	316.357	1.655	50	20	DDGD	
N#C/C(=C\c1cn(CC(=O)O)nn1)c1nc(C2CC2)cs1	843273887	UVEOGVXLPNNRPD-YCRREMRBSA-N	301.331	1.761	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	847601309	OUQNNUJSUOKEHJ-HTQZYQBOSA-N	312.713	1.203	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NNC(=O)c1ccc(Cl)nc1	746128250	ANNUXLZLGSFJDA-NXEZZACHSA-N	310.785	1.369	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=C1CCN(c2ccccn2)CC1	842559277	UWVFGCQBWTXVTK-TZMCWYRMSA-N	302.378	1.579	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CNc1ccc(C)cc1C)[C@H](C)O	842224379	LPYDJCMKOBYEMF-QWHCGFSZSA-N	307.394	1.270	50	20	DDGD	
O=C(NCC1CC1)NNS(=O)(=O)c1ccc2ncccc2c1	741654537	YCBYFVODCARWNA-UHFFFAOYSA-N	320.374	1.137	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NC2CCCCC2)c(C2CCC2)n1	840237418	LEBKCWNGTJSUCO-UHFFFAOYSA-N	319.409	1.964	50	20	DDGD	
O=C(COC(=O)CC1CCC1)NNC(=O)c1cccc(Cl)c1	745574284	YXYPRJMHJADKBE-UHFFFAOYSA-N	324.764	1.834	50	20	DDGD	
CCC(CC)(CO)C(=O)NNc1ncc(Br)cn1	848322679	KVYRXCWFKXMWRA-UHFFFAOYSA-N	317.187	1.481	50	20	DDGD	
NC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)Cc1ccc(F)cc1	841951437	WMLQPHCDVUAQHJ-OCCSQVGLSA-N	322.384	1.216	50	20	DDGD	
COC(=O)/C=C/c1ccc(C=NNC(=O)[C@@H]2CCCCO2)o1	848412495	SPINUEAVJKREEY-OMWIWEBNSA-N	306.318	1.485	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NOC2CCCC2)cc1	845092120	MMNOQKUEJKJGOY-UHFFFAOYSA-N	307.350	1.902	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2Cc3ccccc32)cc1	742033916	DIRWEFRDDUAFCZ-INIZCTEOSA-N	310.353	1.861	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cccc(C(N)=O)c2)n1	748333590	DMQFMNNEKUJPBG-UHFFFAOYSA-N	305.725	1.294	50	20	DDGD	
CC(C)C[C@H](C)OCCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843652559	JYWNUGAEGYDYHF-RWMBFGLXSA-N	300.399	1.400	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@@H]2CO[C@H](C)C2)cc1	845282049	LUNKMZDRGGGMOW-MFKMUULPSA-N	307.350	1.206	50	20	DDGD	
CC(=NNC(=O)CNc1ccccc1F)c1cn(C)nc1C	917534265	QYTRKFCZHKNUMG-UHFFFAOYSA-N	303.341	1.820	50	20	DDGD	
COc1ccc(COCCCC(=O)NN(C)C[C@@H](C)O)cc1	910153557	BOWGLYSBGOBJKF-CYBMUJFWSA-N	310.394	1.336	50	20	DDGD	
CC(C)(C)OC(=O)c1ccc(C(=O)NNc2ccncn2)nc1	843899589	UQOIGCIKSHBEPV-UHFFFAOYSA-N	315.333	1.584	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1cn2ccccc2n1)c1ccco1	746556345	UFHQZOIHXNNAJX-LLVKDONJSA-N	312.329	1.421	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)NCCC(F)(F)F	743509666	JHKCOGHCPPEVSK-UHFFFAOYSA-N	323.246	1.487	50	20	DDGD	
COc1ccc2cc(C(=O)NNc3nccn(C)c3=O)[nH]c2c1	747941993	JIKLYUMIPBTQRN-UHFFFAOYSA-N	313.317	1.027	50	20	DDGD	
CC(C)(C)[S@@](=O)CCNC(=O)NNc1ccc(F)cc1	741414700	UPSXXFZLJJOZPF-FQEVSTJZSA-N	301.387	1.999	50	20	DDGD	
COc1cccc(OC)c1C(=O)NNC(=O)Cc1ccncc1	747515244	LTIIJJMJJNAMNZ-UHFFFAOYSA-N	315.329	1.103	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C[C@H](C)n1ccnc1	844383570	HZPCHFMWRIVVEY-NSHDSACASA-N	302.334	1.304	50	20	DDGD	
N[C@H]1CCC[C@@H](NC(=O)NNc2ccc3c(=O)[nH]ccc3c2)C1	841982260	SFZUECRCLQAGMB-NWDGAFQWSA-N	315.377	1.424	50	20	DDGD	
CC1(C)OCC(NC(=O)NNc2ncnc3ccsc23)CO1	758729719	GVPUPCQSZMMSCI-UHFFFAOYSA-N	323.378	1.469	50	20	DDGD	
Cn1ccc(CC(=O)OC[C@H](CBr)C2CC2)n1	859632042	ZCIOAMXFBFSKSL-JTQLQIEISA-N	301.184	1.927	50	20	DDGD	
C[C@]1(CNC(=O)NCC[C@@H]2CCNC2)C[C@@H]1Br	857103695	MMJLAVNZDMJQTO-JBLDHEPKSA-N	304.232	1.459	50	20	DDGD	
C=C[C@](C)(O)C(=O)NNc1cc(OC)ccc1Br	854946204	GWHJKJGDKDENQQ-LBPRGKRZSA-N	315.167	1.838	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cc[nH]n2)cnn1CCC(C)C	855357957	WMCJKBRWJUFMKA-UHFFFAOYSA-N	304.354	1.036	50	20	DDGD	
CC(C)C1(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)COC1	929302683	WYUIGRMMQLRFSW-LLVKDONJSA-N	324.352	1.413	50	20	DDGD	
CCOc1ccc2c(c1)C(=NNC(=O)c1cc[nH]n1)CCO2	853392121	IWMFKZUKVOFUEQ-UHFFFAOYSA-N	300.318	1.725	50	20	DDGD	
CCC(=NNC(=O)COc1ccc(F)cc1)c1nccn1C	755550752	BLHVUFCVAOJUNP-UHFFFAOYSA-N	304.325	1.869	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2cccnc2)cc(OC)c1	755373989	JKXBZZSMSRKKNG-UHFFFAOYSA-N	316.317	1.565	50	20	DDGD	
O=C(NN=Cc1ccnc2ccccc12)[C@@H]1CN2CCC[C@@H]2CO1	853387479	ALWBULGSYIUELT-PBHICJAKSA-N	324.384	1.548	50	20	DDGD	
C[C@@]1(CNC(=O)c2cc(C(N)=O)c[nH]2)C[C@@H]1Br	857393784	MZAGOAHZQLYKSL-KWQFWETISA-N	300.156	1.017	50	20	DDGD	
Cc1nccn1CCNC(=O)NC[C@]1(C)C[C@@H]1Br	856840897	WOVMNERODTWLGD-JQWIXIFHSA-N	315.215	1.664	50	20	DDGD	
COc1cccc([C@@H](O)C(=O)NNC(=O)OCC(F)(F)F)c1	856021946	ODFCHZHZPJVNNP-SECBINFHSA-N	322.239	1.048	50	20	DDGD	
CCOC(=O)N[C@@H](C(=O)NNc1ncc(Cl)cn1)C(C)C	857355751	LUIZMMCIESQSCY-SECBINFHSA-N	315.761	1.344	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCS[C@H](C)CC1	755199863	QWPZSYVJDSIGNH-NEPJUHHUSA-N	301.456	1.396	50	20	DDGD	
COc1ccc(NC(=O)NN=Cc2nnn(C(C)(C)C)n2)cc1	853352754	GQLQTBVLNSSJRW-UHFFFAOYSA-N	317.353	1.592	50	20	DDGD	
C[C@]1(CNC(=O)c2cccc3nn[nH]c23)C[C@H]1Br	857732812	CXWVYTMVQKYCCB-BXKDBHETSA-N	309.167	1.861	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1cn(C2CC2)nn1	858551500	HUUGIVXPECJLQV-UHFFFAOYSA-N	322.712	1.932	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1cnn(-c2ccccn2)c1	756706419	QLKFBEPAEUWUMW-UHFFFAOYSA-N	311.305	1.062	50	20	DDGD	
CN(CC1=CCSC1)C(=O)NNC(=O)c1cccc(C#N)c1	852057481	RQHIYJUAOHDWPW-UHFFFAOYSA-N	316.386	1.518	50	20	DDGD	
COC[C@@H](NC(=O)NNc1ccc(C)c(F)c1)[C@@H]1CCCO1	854028188	JKYFCELZRLOZLP-KGLIPLIRSA-N	311.357	1.954	50	20	DDGD	
Cc1cncc(/C=C\C(=O)NNC(=O)OCC(F)(F)F)c1	856021287	CLSBEACKTMHVNU-IHWYPQMZSA-N	303.240	1.723	50	20	DDGD	
C[C@@]1(CNC(=O)NCCOCC2CC2)C[C@@H]1Br	856833210	XTIWHDVLHZBJPU-JQWIXIFHSA-N	305.216	1.886	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2CCN(C3CCCCC3)C2)nn1	852588305	CIJLLKIWHQLGCL-ZDUSSCGKSA-N	318.425	1.818	50	20	DDGD	
Cn1cc(C(C)(C)NS(=O)(=O)CC(C)(C)CCl)cn1	866867966	CPMLSFXWWRSUHA-UHFFFAOYSA-N	307.847	1.840	50	20	DDGD	
COCc1ccc(C(=O)NNc2nc(C)cc(OC)n2)cc1F	866293738	AWOLEARNRSQWTE-UHFFFAOYSA-N	320.324	1.836	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N(C)C[C@H]2C[C@@H](O)C2)cc(C#N)n1C	863385442	FOERQBOJFMUESZ-XSSQZNPZSA-N	312.373	1.341	50	20	DDGD	
C[C@@H](Cc1cnc[nH]1)C(=O)NNCC(F)(F)C(F)(F)F	863101652	BGQQSPHMIJMBCP-LURJTMIESA-N	300.231	1.407	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNc1nc2ccccc2[nH]c1=S	862292755	FRMDQPHBCJDOSE-QMMMGPOBSA-N	320.374	1.935	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccc(C(C)(F)F)cc1	869904384	XNAWKTROAJBNQK-UHFFFAOYSA-N	316.304	1.222	50	20	DDGD	
CC(=O)N1CCN(S(=O)(=O)CC(C)(C)CCl)[C@@H](C)C1	866966332	DDCUONJMHWXFKO-JTQLQIEISA-N	310.847	1.134	50	20	DDGD	
CCO[C@@H]1CCCC1=NNC(=O)c1cccc(S(C)(=O)=O)c1	766432868	CVZCHUAJZOUSQK-CQSZACIVSA-N	324.402	1.765	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1cccc(F)c1F	868736992	VANBMVCBLBVACA-SCZZXKLOSA-N	313.304	1.220	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)CSc1ccccc1O	764049451	ZKKPWMDVLMYSIV-UHFFFAOYSA-N	323.399	1.710	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)ns1	766323057	JBPOUINUHLURCU-GFCCVEGCSA-N	319.342	1.053	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H](O)[C@H](C)c2ccccc2F)cc[nH]1	869388981	UKMGYEMNODFTFH-ABAIWWIYSA-N	303.337	1.559	50	20	DDGD	
C[C@H](NNC(=O)[C@H](Oc1ccccc1)C(C)(C)O)C(F)(F)F	862320999	QAOSPCZSEXRQDU-ONGXEEELSA-N	320.311	1.777	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1cc(C(=O)O)ccc1F	865215220	LPCMUZKEMQKKQE-XYOKQWHBSA-N	306.293	1.584	50	20	DDGD	
C=CCCn1cc(CNS(=O)(=O)CC(C)(C)CCl)nn1	867596502	PKOUVUIAJQXOPY-UHFFFAOYSA-N	320.846	1.539	50	20	DDGD	
C[C@@H]1C[C@@H](CC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC(C)(C)C1	862454604	WNFCWLIUFVLZLF-GRYCIOLGSA-N	309.410	1.265	50	20	DDGD	
COC(=O)NNC(=O)CCCc1ccc2c(c1)OCCCO2	863853933	GWCFPKNMFTUBEB-UHFFFAOYSA-N	308.334	1.558	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H](C)c2cccc(Cl)c2)n[nH]1	869013681	GIBLGVITIZLSKQ-SNVBAGLBSA-N	320.780	1.865	50	20	DDGD	
COc1cc(C(C)=NNC(=O)Cc2cc(C)[nH]n2)ccc1O	767403173	HTWUQKMGHBUGBE-UHFFFAOYSA-N	302.334	1.515	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](C)c1cccc(NC(C)=O)c1	875055496	YGDXDQCXCOOJSO-SECBINFHSA-N	308.338	1.618	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C2CCC=CCC2)c1O	878378510	AIGBQGGCIRYBTL-UHFFFAOYSA-N	304.346	1.908	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)c1cc(C(F)(F)F)n[nH]1	773707884	TVJBPNZSGNYGDQ-UHFFFAOYSA-N	316.214	1.642	50	20	DDGD	
O=C(NN=Cc1ccc(F)nc1)c1cc([N+](=O)[O-])ccc1O	777438629	ZYWPZAFZAWXJNT-UHFFFAOYSA-N	304.237	1.598	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(OC(F)F)cn1	776225830	FOXUZJMCAWCNAT-UHFFFAOYSA-N	311.248	1.239	50	20	DDGD	
CC[C@@H](C(=O)NNC(=S)Nc1cc(C)ccc1F)N(C)C	874946565	NPAWRYVUAVKVAM-LBPRGKRZSA-N	312.414	1.792	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1	775834484	SXALKYKZYALFRY-VXGBXAGGSA-N	306.410	1.349	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@@H](C)c1ccc(N)cc1	772297654	WCBHOVFXKXIZTO-GHMZBOCLSA-N	321.377	1.252	50	20	DDGD	
O=C(NNc1c(F)cccc1Cl)[C@H]1CN2CCCN1CC2	771673960	JTJVJCVSPAZHGH-GFCCVEGCSA-N	312.776	1.312	50	20	DDGD	
C[C@H](O)c1cn(CC(=O)NNc2ccc3ccccc3n2)nn1	777467914	JTOZQWOLGDUNSH-JTQLQIEISA-N	312.333	1.023	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)c1nc2ccccc2s1)C1CCC1	874914210	OIZAKBNDVJCKNP-OAHLLOKOSA-N	319.386	1.608	50	20	DDGD	
CO[C@@H]1CCC[C@H]1CNC(=O)NNC(=O)c1ccccc1O	775455746	WAKRNFHLLVWNQJ-GXFFZTMASA-N	307.350	1.151	50	20	DDGD	
CCCN1CC[C@@H](NC(=O)NNC(=O)c2ccccc2Cl)C1	1118633515	CYLFDKAPBVFOAW-LLVKDONJSA-N	324.812	1.768	50	20	DDGD	
NC(=O)c1c[nH]c(C(=O)NNc2ccc(C(F)(F)F)cn2)c1	775248163	QIFLAWDUTDSNQB-UHFFFAOYSA-N	313.239	1.284	50	20	DDGD	
N#CCn1cc(NC(=O)C(=O)NNc2cccc(Cl)c2)cn1	773744266	ICDLLTCMVQDECA-UHFFFAOYSA-N	318.724	1.142	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc2ccccc2[nH]1	771857489	YYWFGKFXRYGGHU-SECBINFHSA-N	303.318	1.271	50	20	DDGD	
C[C@H](NC(=O)CC(C)(C)C)C(=O)NNC(=O)CC(F)(F)F	779377715	BAFGFKZJVMIHLP-ZETCQYMHSA-N	311.304	1.027	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNc1ccccc1S(C)(=O)=O	1120709487	RCWTWQUFSRSYAC-ZYHUDNBSSA-N	312.391	1.348	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@](C)(O)C(C)C)c1C	770209197	RZHUVIMTMPMTBI-SUMWQHHRSA-N	322.405	1.625	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccccc1C(F)(F)F	779823379	OHAJXDAWWNURMR-UHFFFAOYSA-N	303.240	1.512	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)C1CCCC1	772168877	UNNMMTKDLHSWNM-VXGBXAGGSA-N	312.410	1.938	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(N(C)C)c2)ccc1O	779380432	SLPZYTYELHLDME-UHFFFAOYSA-N	313.357	1.841	50	20	DDGD	
O=C(C[C@H]1CCc2ccccc2C1)NNC(=O)C1CCOCC1	883063071	BRMDZMMDQQNJIE-ZDUSSCGKSA-N	316.401	1.756	50	20	DDGD	
CN(C)c1noc(CCC(=O)NNc2cc(F)ccc2F)n1	885142460	BUMPNXQTQOHVLG-UHFFFAOYSA-N	311.292	1.490	50	20	DDGD	
COc1nn(C)cc1C(=O)NNc1ccc(C(F)(F)F)cn1	883966980	BMCKIWXQNDMWBP-UHFFFAOYSA-N	315.255	1.599	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1CCCN(C(=O)[C@H](C)CC)C1	887142890	DKGSXZNMWKMKJY-ZIAGYGMSSA-N	321.421	1.222	50	20	DDGD	
Cn1cc(C(=O)NN=CC[C@@H]2CCCCC23OCCO3)cn1	788716662	HGZJSEGYUCUBIM-ZDUSSCGKSA-N	306.366	1.459	50	20	DDGD	
COC(=O)COc1ccc(C=NNC(=O)NC2CCCC2)cc1	782225042	USANGIUEBAUFTP-UHFFFAOYSA-N	319.361	1.814	50	20	DDGD	
O=C(NC[C@H]1CC1(Cl)Cl)NNc1ncncc1Cl	780962749	SOJRTNDNYMANGA-RXMQYKEDSA-N	310.572	1.950	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)C[C@H]2COc3ccccc3O2)CC1	882050547	COYHLIPCZNFDIR-CYBMUJFWSA-N	320.370	1.312	50	20	DDGD	
CCc1cncc(C(=O)NNC(=O)Cc2ccc(F)cc2)c1	789871784	OSEJUGKRAUZCTA-UHFFFAOYSA-N	301.321	1.787	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NNc1ncncc1Cl	780947644	ZDWLBJAKPWXOKK-UHFFFAOYSA-N	320.740	1.410	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2ccc(Cl)c(F)c2)C(=O)O1	896352031	PPEFEBVZVGFLLH-LHLIQPBNSA-N	301.705	1.809	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1ccc2nc(O)[nH]c2c1	781820080	PXUGRNILZNXAIV-UHFFFAOYSA-N	304.697	1.469	50	20	DDGD	
CCn1cccc(CNC(=O)NNc2ccc(F)cn2)c1=O	789841800	QFBHZPXAILTSGB-UHFFFAOYSA-N	305.313	1.229	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2ccc(F)c3cccnc23)CC1	790173691	MEBQRSZJIZAGQY-UHFFFAOYSA-N	315.352	1.665	50	20	DDGD	
CC(C)N(C)CC(=O)Nc1cccc(NC(=O)NN(C)C)c1	791278160	YTVHOSBHGKJYRO-UHFFFAOYSA-N	307.398	1.563	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=C1CCCc2nn(C)cc21	794478413	NWYHGEJYJBJZOY-CYBMUJFWSA-N	317.437	1.699	50	20	DDGD	
COc1cccnc1CC(=O)NNC(=O)c1c[nH]c2ccccc12	798154156	ZCKQNIUTQSNHGW-UHFFFAOYSA-N	324.340	1.575	50	20	DDGD	
Cn1c(NNC(=O)[C@H]2CCC(F)(F)C2)nc2ccccc2c1=O	795098761	AVSMXXCXHZDHCG-VIFPVBQESA-N	322.315	1.812	50	20	DDGD	
COc1cc(NNC(=O)[C@@H](C)S(C)(=O)=O)ccc1Cl	790181474	VTYRSGCIHVDUOG-SSDOTTSWSA-N	306.771	1.225	50	20	DDGD	
N#Cc1ccc(Cl)c(C(=O)NNC(=O)Cc2cccnc2)c1	796139415	GJUDMLAZYLZXEF-UHFFFAOYSA-N	314.732	1.610	50	20	DDGD	
O=C1CCC[C@H](C(=O)NNC(=O)c2ccc3ccccc3c2)N1	799564328	LYRVCKTVGVGDSS-CQSZACIVSA-N	311.341	1.270	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C2=CCOCC2)cc1C	792796614	GZCXPEIADVGWMD-UHFFFAOYSA-N	304.346	1.176	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC[C@H]2CCOC2)c(F)c1	1328191061	VLUYCZCQVGNFTA-SECBINFHSA-N	311.313	1.275	50	20	DDGD	
Cn1cc2c(n1)CCCC2=NNC(=O)c1n[nH]c2c1CCCC2	1321099479	HYYWNDYWFVJRDP-UHFFFAOYSA-N	312.377	1.492	50	20	DDGD	
Cc1cc(C#N)cnc1C(=O)NNC(=O)c1ccccc1Cl	1326425209	FCBOQIXNGVSGAC-UHFFFAOYSA-N	314.732	1.990	50	20	DDGD	
O=C(NC[C@@H]1CCc2ccccc21)NNC(=O)C1CCNCC1	1325311674	RHPVJNBDDKJNPP-AWEZNQCLSA-N	316.405	1.046	50	20	DDGD	
C/C(NNC(=O)C[N+](C)(C)C)=C1/C=CC(Cl)=C(Cl)C1=O	1322445117	CEQBKYZEDWVDPC-UHFFFAOYSA-O	319.212	1.416	50	20	DDGD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCl)cc2)C1	1320466984	YNXALZATFOFNGN-LBPRGKRZSA-N	309.797	1.243	50	20	DDGD	
C[C@](O)(Cc1ccccc1)C(=O)NNc1nncc(N)c1Cl	1253123936	MZQKASXIUTXMAU-AWEZNQCLSA-N	321.768	1.149	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1ccc(CC)c(C)c1	1337215145	MQXFHNDREFRRST-UHFFFAOYSA-N	315.373	1.447	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H](C)[C@@H]1CCC(=O)N1	1331554460	GSGXBBZDTGYNAE-WPRPVWTQSA-N	308.290	1.424	50	20	DDGD	
CCc1ncoc1C(=O)NNC(=O)COc1cc(C)ccc1C	1335406514	FTVXQWIVGACKOY-UHFFFAOYSA-N	317.345	1.694	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CC[C@H](c2nn[nH]n2)C1	1347198924	TUNKNZUMHHJUQT-JGVFFNPUSA-N	316.203	1.325	50	20	DDGD	
CC1(C)C[C@](C)(NC(=O)NNC(=O)c2ccccc2)C(=O)O1	1348576376	JWUIARQTNQGXTQ-HNNXBMFYSA-N	305.334	1.115	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H](C)CC(=O)OC(C)(C)C)nc1	1343165564	LBATXTMSULUKDN-SNVBAGLBSA-N	324.381	1.837	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H](C(=O)NNc2ncccc2C(F)(F)F)O1	1602177047	CKJMYUMHWINMIP-SFYZADRCSA-N	319.239	1.176	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H]1CC[C@@H](CCC(=O)O)O1	1607872488	XZZNFYMOUDBHMO-WCQYABFASA-N	320.345	1.168	50	20	DDGD	
Cc1ccc(NNC(=O)CNC(=O)OC(C)(C)C)cc1C(=O)O	1600463124	XBLVUPGEHZPGRX-UHFFFAOYSA-N	323.349	1.661	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(C)c(C(=O)O)c2)c(C)nn1	1600095263	NBTCGMINXUWOFK-UHFFFAOYSA-N	300.318	1.857	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)Nc2ccc(C(=O)O)cc2)n1	1601220898	ZDQIAAVYKYBEDL-UHFFFAOYSA-N	322.712	1.559	50	20	DDGD	
CCCCCc1cc(C(=O)NNc2ccc(C(=O)O)cn2)n[nH]1	1605271972	JWJVJZMUVCCDLC-UHFFFAOYSA-N	317.349	1.993	50	20	DDGD	
O=C(NNC(=O)c1cc(C(=O)O)on1)Nc1ccc(Cl)cc1	1608479291	XNGJZZSITBEPGE-UHFFFAOYSA-N	324.680	1.493	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC[C@@H](C(=O)O)C1	1605576573	OCNMEMDBDXHEOW-FMNNIJNLSA-N	300.314	1.622	50	20	DDGD	
Cc1ccc(NNC(=O)Nc2ccn(CC(=O)O)n2)cc1F	1605297280	ZTXMOLCUJJZWAZ-UHFFFAOYSA-N	307.285	1.564	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C/c1cc(-c2nn[nH]n2)n(C)c1C	1604184659	RRTZEZBRVRJYLQ-KPKJPENVSA-N	313.365	1.337	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H]2CCCO[C@H]2c2ccnn2C)o1	1549315841	MVMFHPPNZPTCTD-DZGCQCFKSA-N	316.361	1.940	50	20	DDGD	
Cc1c[nH]nc1C=NNC(=O)[C@H]1CCCO[C@@H]1c1nccn1C	1549316636	QIPWJMAQCQQEQG-AAEUAGOBSA-N	316.365	1.070	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1sccc1Br	1610783629	NYZGDEKWPVQOLX-UHFFFAOYSA-N	306.141	1.228	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@H](N)CC3CC3)cc2C1	1576758388	JWMICMUZSFTLMK-BXKDBHETSA-N	321.446	1.761	50	20	DDGD	
CCCNCCNS(=O)(=O)c1ccc(CCCl)cc1	1577561817	MVDUNXHFVMFOGU-UHFFFAOYSA-N	304.843	1.746	50	20	DDGD	
N[C@H]1CC=C(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)C1	1580168118	AKHSIBXCJLYPMM-NSHDSACASA-N	319.752	1.881	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)Cn1ccnc1)C2	1845163927	BDFWUTVMRTWDAN-LBPRGKRZSA-N	324.812	1.104	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cc(-c2nn[nH]n2)ccc1F	1590393673	KQTQIKJYVZEHND-SSDOTTSWSA-N	321.316	1.205	50	20	DDGD	
Cc1cc(C(=O)N2CC3(CCCN3C(=O)[C@@H](F)Cl)C2)on1	1843362631	CKYQNFGKXREIKK-SNVBAGLBSA-N	315.732	1.334	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCC(CC(=O)O)CC1	1599246561	CAHFERCPUUKYKR-VUWPPUDQSA-N	300.355	1.175	50	20	DDGD	
Cc1ocnc1C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1592515005	XNZBPBXOJBCGCY-UHFFFAOYSA-N	319.712	1.573	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccc[nH]2)ccc1C(=O)O	1594322788	DMECEWXADOSEAW-UHFFFAOYSA-N	302.290	1.488	50	20	DDGD	
CCn1ccc(C=NNC(=O)Nc2ccc(C(=O)O)cc2)n1	1776046400	OGYTZUBHSBAVSR-UHFFFAOYSA-N	301.306	1.757	50	20	DDGD	
O=C(O)c1ccc2c(c1C=NNC(=O)C1CCCC1)OCO2	1776028696	ZUSAHYMISFRDEV-UHFFFAOYSA-N	304.302	1.754	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cc2[nH]c(C(=O)O)cc2o1	1776118294	ZPYUSWCQMHKTSO-XBXARRHUSA-N	303.274	1.129	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl)c1ncc[nH]1	1796804008	MQJSOPNCUHMVIF-UTINFBMNSA-N	314.748	1.196	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2cnn(C)c2)c1C	14807316	DJYQEMCUMQNDOV-UHFFFAOYSA-N	303.391	1.668	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1nc2ccccc2n2nnnc12	15575538	PLOIHWHSHVHDED-CMDGGOBGSA-N	309.289	1.055	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)c2ccccc2)cc1F	18089848	KCQWQXZLEQOVGO-UHFFFAOYSA-N	302.305	1.838	50	20	DDGD	
Cc1nn2cccnc2c1C(=O)NNc1cccc([N+](=O)[O-])c1	151844553	AWFICLMUHTXFJM-UHFFFAOYSA-N	312.289	1.703	50	20	DDGD	
Cc1ccc2c(CC(=O)NNC(=O)c3cc(C)n[nH]3)c[nH]c2c1	153143907	UVSTUJXGHJDGMU-UHFFFAOYSA-N	311.345	1.512	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C[C@@H](C)c2cccc(F)c2)[nH]n1	153196713	JCBBOXJKISPFGM-SECBINFHSA-N	304.325	1.812	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCc2ccc(Cl)cc2)[nH]n1	153271885	SPHHWCRGJSYEHL-UHFFFAOYSA-N	306.753	1.765	50	20	DDGD	
CCc1ccccc1C(=O)NNC(=O)CNC(=O)c1ccco1	153526184	YQRNSQKCWGJGFK-UHFFFAOYSA-N	315.329	1.033	50	20	DDGD	
CCCNC(=O)c1cccc(NC(=O)NNc2ncccn2)c1	155384130	JXBVBOYTQIDERI-UHFFFAOYSA-N	314.349	1.765	50	20	DDGD	
C[C@H](NS(=O)(=O)c1ccc(CCl)cc1)c1ncnn1C	914424553	IZQXNBLVWZTHLP-VIFPVBQESA-N	314.798	1.593	50	20	DDGD	
C[C@@H](C[S@](C)=O)N(C)S(=O)(=O)c1ccc(CCl)cc1	398959470	XXZANEHNUTYSBH-YPMLDQLKSA-N	323.867	1.813	50	20	DDGD	
COCCCNC(=O)NNC(=O)CNc1c(C)cccc1C	173261636	NIUWJOSJHFDNAF-UHFFFAOYSA-N	308.382	1.082	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NNC(=O)CCC(C)C)s1	171166905	WQPKNCDHEVPIGG-UHFFFAOYSA-N	312.395	1.468	50	20	DDGD	
CC(=O)Nc1ccc(NC(=S)NNC(=O)NCC2CC2)cc1	64937152	SKCQKGKIOJEUCE-UHFFFAOYSA-N	321.406	1.556	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1nn(-c2ccccc2)c2c1CCC2	26796808	YZPGPDYSSYSHBY-UHFFFAOYSA-N	312.373	1.778	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cccc(-n2cccn2)c1	116717459	UXJWJQWRJHAPAI-UHFFFAOYSA-N	309.329	1.286	50	20	DDGD	
COc1ccccc1NC(=O)NNC(=O)Cc1ccncc1	177062731	IJTQQHCGNPAKSC-UHFFFAOYSA-N	300.318	1.486	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNC(=O)CNc1ccc(OC)cc1	68541613	YSXMINHDQOZOFC-GFCCVEGCSA-N	323.393	1.460	50	20	DDGD	
COCC(=O)N[C@H](C(=O)NNc1c(C)cccc1F)C(C)C	184360409	VAHYNVIOBVRUKL-ZDUSSCGKSA-N	311.357	1.364	50	20	DDGD	
C#CCCCCC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	179637048	QDLQUCXLAOSFIT-LBPRGKRZSA-N	306.337	1.934	50	20	DDGD	
CS[C@@H](C(=O)NNC(=O)Cc1cccnc1)c1ccccc1	172400776	NDASMCDKRPTZEJ-OAHLLOKOSA-N	315.398	1.876	50	20	DDGD	
CN(C)CC(=O)NNc1ccc([N+](=O)[O-])cc1Br	188979271	LGEGLMBJHHXPHO-UHFFFAOYSA-N	317.143	1.362	50	20	DDGD	
O=C(NNc1ncccn1)[C@H]1CC(c2cc(F)ccc2F)=NO1	66374177	STGROGOYAPGEOA-GFCCVEGCSA-N	319.271	1.391	50	20	DDGD	
CSc1ccccc1NC(=O)NNC(=O)Cc1cc[nH]n1	182800416	UHMZTZVXXFUYDW-UHFFFAOYSA-N	305.363	1.527	50	20	DDGD	
CNC(=O)[C@@H]1CCCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C1	188465846	CSZVOAUACUQZPG-CKXDQPNJSA-N	313.357	1.284	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CCOCc2ccccc2)cc1	129090490	CKEIBFZYRXHPNM-UHFFFAOYSA-N	323.352	1.926	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)COCc2ccccc2)on1	78192011	MEJXLUKPMDGHKC-UHFFFAOYSA-N	317.345	1.776	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)c2c(C)c(C)nn(C)c2=O)c1	124280367	JEGGCDCVLQCPQN-UHFFFAOYSA-N	300.362	1.771	50	20	DDGD	
C[C@@H](Sc1nnnn1C1CC1)C(=O)NNc1ccc(F)cc1	127560942	PZZVVVVLJYMRQH-MRVPVSSYSA-N	322.369	1.771	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2cccc(F)c2C)n1	181515398	UIEOZXHVQDBYLK-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)C(=O)Nc1ccccc1	189048823	VYMDTXMTZDJRGD-UHFFFAOYSA-N	312.329	1.786	50	20	DDGD	
CN(CCNC(=O)NNC(=O)OC(C)(C)C)c1ccccc1	45304330	GWOFNRPUSRMIRB-UHFFFAOYSA-N	308.382	1.862	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(-n2cc[nH]c2=S)cc1	44979258	UQWAJPGDDHXTLP-UHFFFAOYSA-N	306.347	1.926	50	20	DDGD	
C[C@H]1CCC[C@@](CNC(=O)NNC(=O)c2ccc[nH]2)(N(C)C)C1	131802689	ASWFNLRCAOSQJL-BLLLJJGKSA-N	321.425	1.469	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)c1ccncc1	194516197	OOSIBOTYNUXSIV-UHFFFAOYSA-N	304.737	1.879	50	20	DDGD	
COCCCS(=O)(=O)N1CCC(Br)CC1	87753905	NVACCPOIGNCPAV-UHFFFAOYSA-N	300.218	1.212	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Cn2ccc(C)cc2=O)cc1	194363808	NAGHRVVTXMHZRX-UHFFFAOYSA-N	313.357	1.180	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccn(CC(F)F)n2)cc1	193681766	APGFVXCKDUFQFJ-UHFFFAOYSA-N	322.315	1.785	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNc1nc2ccccn2n1	191915549	RKESWLCHELZNFS-UHFFFAOYSA-N	306.329	1.827	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNC(=S)N[C@@H](C)C1CC1	88280845	YWHLMNQCEYXWJX-VIFPVBQESA-N	324.450	1.636	50	20	DDGD	
Cc1cc(C)n(-c2ccc(NC(=O)NNc3ncccn3)cn2)n1	194767166	WBJZGYLIXHLWGW-UHFFFAOYSA-N	324.348	1.823	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=Cc1cccc([N+](=O)[O-])c1	252642683	ZOCUFHNHAUQRBE-UHFFFAOYSA-N	324.296	1.996	50	20	DDGD	
COC(=O)[C@H]1CN(/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)CCO1	255631955	WPRCHNXUEKBJDS-CNTYAEFGSA-N	317.301	1.333	50	20	DDGD	
Cc1ccccc1C(=O)NNS(=O)(=O)C[C@@H]1CCCCO1	264658013	QJNAXMXKNONSLI-LBPRGKRZSA-N	312.391	1.128	50	20	DDGD	
O=C(NNc1nccnc1Cl)[C@H]1CCCN1C1CCCC1	269698690	PJPUHIVHDQTHGX-LLVKDONJSA-N	309.801	1.980	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNC(=O)c1ccccc1OC	267993031	RNJWZRKIHXGLNW-UHFFFAOYSA-N	321.377	1.105	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O)C1CCC1	264824553	XWHNSNILDMDFDP-CYBMUJFWSA-N	319.336	1.126	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)Cc1ccncc1	266997065	YBNFCWLTPJSXNA-KBPBESRZSA-N	304.394	1.923	50	20	DDGD	
Cc1c(NNC(=O)NCCCC(=O)N(C)C)cccc1[N+](=O)[O-]	263989486	UPAWPIJECGEQBH-UHFFFAOYSA-N	323.353	1.398	50	20	DDGD	
CC[C@H]1CO[C@@H](C)CN1CC(=O)NNC(=O)c1ccc(F)cc1	268537004	RWJXDSLBMZNXMP-FZMZJTMJSA-N	323.368	1.086	50	20	DDGD	
O=C(NNC(=O)N1CC[C@@H](N2CCCCC2)C1)c1ccccc1	264594524	MGUVLXNTYOSZMS-OAHLLOKOSA-N	316.405	1.601	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cnn(-c2ccccc2)c1C	276078251	UHNJZKOJIQZPQE-UHFFFAOYSA-N	316.365	1.879	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNC(=O)c1ccccn1	270328672	IXLVAWIKCPDRDY-SECBINFHSA-N	301.350	1.376	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ccccc1O[C@H]1CCOC1	272584894	MXQHUEXUJMBVBW-LBPRGKRZSA-N	319.361	1.807	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)n1	274176249	DDVDNJDLRYCNGE-MNOVXSKESA-N	307.354	1.069	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cn(-c2ccc(F)cc2C)nn1	272680877	NLDQLRCSNRQLHX-UHFFFAOYSA-N	320.328	1.021	50	20	DDGD	
Cc1ccnc(-n2nccc2NC(=O)NNC(=O)CC2CC2)c1	276467145	YHOJIBWACMZTSH-UHFFFAOYSA-N	314.349	1.529	50	20	DDGD	
O=C(NNc1cccnn1)c1ccccc1CN1CCOCC1	273151460	HUVWECONEFKXRX-UHFFFAOYSA-N	313.361	1.066	50	20	DDGD	
COC(=O)c1cccc(CCNC(=O)NNC(=O)C2CCC2)c1	271124104	GIKZACSKWHABLF-UHFFFAOYSA-N	319.361	1.146	50	20	DDGD	
O=C(NNc1ccccn1)Nc1cnn(C[C@H]2CCCO2)c1	377183566	SCEQIEQGENJPQR-GFCCVEGCSA-N	302.338	1.606	50	20	DDGD	
CC(C)c1nn(C)cc1C(=O)NNC(=O)NCC(F)(F)F	281211255	LOVAPYHLGWBCAR-UHFFFAOYSA-N	307.276	1.050	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNC(=O)CCc1ccccc1O	289662751	YSDGVVZSSFXGEB-LLVKDONJSA-N	322.361	1.062	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)C(C1CCC1)C1CCC1	285722898	UOSSYQFGOSJZAR-UHFFFAOYSA-N	301.390	1.988	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)cn1	285532677	PXVXLUCBYQLIMT-FPMFFAJLSA-N	304.394	1.788	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCn2cncc2C1)NC1CCCCC1	376527355	HITGJNFZASFECB-LLVKDONJSA-N	305.382	1.109	50	20	DDGD	
Cn1cnc2cc(/C=C(\C#N)S(=O)(=O)NC3CC3)ccc21	280076517	QQRHRGZRYLZLJQ-WUXMJOGZSA-N	302.359	1.520	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cc3n(n2)CCCC3)cc1	289285291	TVUSEEYADZJKDK-UHFFFAOYSA-N	313.361	1.610	50	20	DDGD	
C[C@H]1C[C@H](N2CCCC2)CN1C(=O)NNC(=O)c1ccccc1	286810505	VNLYUBCPTJTEBK-ZFWWWQNUSA-N	316.405	1.600	50	20	DDGD	
CN(CC(=O)NNC(=O)Nc1ccc(Cl)cc1)C(=O)C1CC1	802016402	ZBIVBOPVWBGUIQ-UHFFFAOYSA-N	324.768	1.361	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@H]1C[C@]12CCc1ccccc12	802025728	DXEZQHGNEDUOAQ-QAPCUYQASA-N	322.368	1.560	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H](C)NC(=O)C1CCCC1	298679371	SPKXGCZICSDYLZ-GFCCVEGCSA-N	317.389	1.451	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)c2ccc(O)c(O)c2)[C@@H]1SC	807986529	LDBNVFHADXRBRF-OLZOCXBDSA-N	310.375	1.724	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)Nc1nccn(C)c1=O	806390342	HNPKZQWSXRXDOA-UHFFFAOYSA-N	318.293	1.146	50	20	DDGD	
CCCn1cc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)nn1	803435592	GBDWAJJROMPGJM-UHFFFAOYSA-N	312.333	1.287	50	20	DDGD	
CC(C)(Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCCCO1	295280877	CQOXNJJMDVTSKV-ZDUSSCGKSA-N	324.352	1.700	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNc1ccc(OC(F)F)cc1	295545431	OVBIKUHDVWATRE-SNVBAGLBSA-N	306.334	1.845	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)C(=O)N1CCCC1)c1ccccc1	299474782	FECVOCUTKBOCMT-CYBMUJFWSA-N	318.377	1.091	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)NCCOCc2ccccc2)O1	297490598	AZZIHMZIJXCCQI-JSGCOSHPSA-N	321.377	1.101	50	20	DDGD	
O=C(NNc1ncc(F)cn1)C1CCN(CC(F)F)CC1	807169918	QDMHSCUYHSSBTN-UHFFFAOYSA-N	303.288	1.036	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)[C@@H]1CCCCO1)c1cccc(O)c1	297390435	WJRGNQUBQJTOLG-MFKMUULPSA-N	307.350	1.353	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)COCc2cccnc2)o1	806679764	MGBQPYXRKYLBJS-UHFFFAOYSA-N	315.333	1.725	50	20	DDGD	
C[C@@H]1CC[C@H](CNC(=O)NNc2ccc(-n3ccnc3)nn2)C1	805416939	CKJIECZMUMITSH-NEPJUHHUSA-N	315.381	1.725	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(OC)c(OC)c1C	807975191	JNEQXXCAEAHCFR-LBPRGKRZSA-N	324.377	1.514	50	20	DDGD	
CCc1cccc(NC(=O)C(=O)NNc2ncncc2F)c1	815766430	ZMKDMSZSVOCGCW-UHFFFAOYSA-N	303.297	1.260	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC(C)(C)[C@H]1[C@@H]1CCCO1	810030139	SBDCONKIHABEPY-WCQYABFASA-N	311.426	1.069	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1c(Cl)nc2ccccn12	814954389	FADAMROOWLIKQT-UHFFFAOYSA-N	316.752	1.794	50	20	DDGD	
O=C(NCCc1cn[nH]c1)NNC(=O)c1c[nH]c2ccccc12	811932246	JPGZTDXMNBYUBF-UHFFFAOYSA-N	312.333	1.078	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C[C@H](C)n2cccn2)cc1	819524976	RSJOPXWOGJLJIC-NSHDSACASA-N	317.349	1.696	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(Cl)n1)N1CCSCC1	817009417	IYBHZBOVYUNKDX-VIFPVBQESA-N	300.815	1.615	50	20	DDGD	
CCCCC(=O)N1CSC[C@@H]1C(=O)NCCCSC#N	819699284	YLQSCAROAYTZLK-LLVKDONJSA-N	315.464	1.799	50	20	DDGD	
CCN(C)[C@H](C(=O)NNc1nnc(C)c(O)n1)c1ccccc1	728600430	GIWDUDRGCPRWMR-LBPRGKRZSA-N	316.365	1.022	50	20	DDGD	
O=C(NNC(=O)c1cc(F)c[nH]1)c1cc(-c2ccccc2)[nH]n1	814716189	CBNSLTSOVLFOMB-UHFFFAOYSA-N	313.292	1.619	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccnc(Cl)c1	826447608	NQIOLNPTQUSVPJ-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC=C(C#N)CC1	824730919	RBAOTOFXHYUWHS-NSHDSACASA-N	324.344	1.316	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)OCCN2CCNC2=O)c1	729205271	MCQNPBSFFBHJDK-UKTHLTGXSA-N	315.329	1.171	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC	491043680	AGXXIVXAJBNRIZ-CMPYXILNSA-N	302.330	1.331	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1nc2ccccc2nc1C1CC1	828779185	UUEPJXXKERLUGZ-UHFFFAOYSA-N	313.361	1.813	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C	496871875	BWOJGASJSWHVRN-GFCCVEGCSA-N	315.414	1.729	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)Cc1ccc(F)c(Br)c1	823971368	SQTCCVRPIVMHES-MRVPVSSYSA-N	319.174	1.475	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N(CCO)Cc1cccnc1	490979762	YZPIKPDUFXYMTM-YBEGLDIGSA-N	323.352	1.715	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCN(c2ccccc2)C1	823176420	UJEJKUCLADFTKQ-LBPRGKRZSA-N	313.361	1.006	50	20	DDGD	
CCN(Cc1ccccn1)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	827288931	PTLHNMNJPKZFNA-YPMHNXCESA-N	306.366	1.069	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cn1ccc2ccccc21)n1cccn1	729450754	OYTZMBPLSLOVBH-LBPRGKRZSA-N	311.345	1.246	50	20	DDGD	
Cc1cc(F)ccc1-n1ccc(C(=O)NN(C)[C@H](C)CO)n1	823936103	ZWDKRCHDMYZARZ-LLVKDONJSA-N	306.341	1.277	50	20	DDGD	
CO[C@]1(C)C[C@H](NC(=O)NNC(=O)OC(C)(C)C)C1(C)C	491797421	MCGCQPHKEVDWQE-LKFCYVNXSA-N	301.387	1.929	50	20	DDGD	
CO[C@H]1CCOc2c(NCc3ccc(B(O)O)o3)cccc21	585038663	JLIPNOLZBFJUHS-ZDUSSCGKSA-N	303.123	1.042	50	20	DDGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2nn[nH]n2)c(C)n1CC(C)C	490662284	AGMWDAVIRQYCDN-AWNIVKPZSA-N	313.365	1.820	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H](CCC(C)C)NC(C)=O	823762491	DOGDCTNCCYIBFJ-LBPRGKRZSA-N	300.403	1.058	50	20	DDGD	
COCC(=O)N(C)CC(=O)NNc1nc2c(C)cccc2s1	828362604	NOGIYNPYSLRMSK-UHFFFAOYSA-N	322.390	1.153	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1cc(C)ccc1Cl	901966664	RTUFPOLHCINWKB-UHFFFAOYSA-N	314.794	1.761	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1cccc(C(=O)OC)c1F)C(C)C	491747805	CUYYCHZSTAQOTM-LLVKDONJSA-N	307.325	1.896	50	20	DDGD	
CSCCC=NNC(=O)COc1ccccc1-c1nn[nH]n1	826228576	TVGSSUKWOKGZLI-UHFFFAOYSA-N	320.378	1.101	50	20	DDGD	
COC(=O)NNC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C	492329025	PJRKBXAMDJJMLW-BDAKNGLRSA-N	301.343	1.019	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(N)c(OC(F)(F)F)c1	823884624	CBERBNNCALKTLF-UHFFFAOYSA-N	307.272	1.126	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)C[C@H]1Br	907207903	RWNASZIKHGFDJC-AAXDQBDMSA-N	318.211	1.614	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)NCc1cocn1	730830332	QKKXTHKPCVHLBF-UHFFFAOYSA-N	324.724	1.481	50	20	DDGD	
O=C(NCC(Cl)Cl)c1cccn1CCN1CCOCC1	908184862	XOAYFEBLMMRULZ-UHFFFAOYSA-N	320.220	1.354	50	20	DDGD	
COC1(CNCc2ccccc2B(O)O)CCC(F)(F)CC1	585046718	BGQYQLFETYMTIA-UHFFFAOYSA-N	313.153	1.051	50	20	DDGD	
COC(=O)[C@]1(F)CCN(C(=O)[C@@]2(C)C[C@@H]2Br)C1	906878851	MWXSCOIPQCLAKF-SWPVVBRQSA-N	308.147	1.274	50	20	DDGD	
C[C@@H](C[C@H](O)c1cccs1)NCc1ccc(B(O)O)cc1F	585034754	NOXSLQSQSFLDEO-HZMBPMFUSA-N	323.198	1.169	50	20	DDGD	
CC(C)(C)OC(=O)N1CC2(CC(=NNC(=O)C(F)F)C2)C1	495790567	AJGXLDOSZZJART-UHFFFAOYSA-N	303.309	1.755	50	20	DDGD	
CC[C@@H](C)n1ncc(C(=O)N2CC[C@H](B(O)O)C2)c1C1CC1	585064814	TVHBQQYMJNXVTC-PWSUYJOCSA-N	305.187	1.420	50	20	DDGD	
CCn1ccnc1C(C)=NNC(=O)COc1ccccc1F	834921457	FNZLFJPCAQTHDT-UHFFFAOYSA-N	304.325	1.961	50	20	DDGD	
CCO[C@@H](CCNC(=O)c1ccc(B(O)O)cc1)C1CCCC1	584956629	FCNKVSAJUZEQLW-INIZCTEOSA-N	319.210	1.082	50	20	DDGD	
C=CCOC[C@H](NC(=O)[C@]1(C)C[C@@H]1Br)C(=O)OC	907929700	LFBWAKDXCCKXKZ-HOTUBEGUSA-N	320.183	1.020	50	20	DDGD	
COC(=O)COc1ccccc1C=NNC(=O)[C@H]1CCO[C@@H]1C	901259359	REXZHBGQDCVKPL-YPMHNXCESA-N	320.345	1.114	50	20	DDGD	
O=C(NCB(O)O)c1ccccc1OCc1ccc(F)cc1	585055901	LDPAQYGSGIBPGU-UHFFFAOYSA-N	303.098	1.147	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1cccc(B(O)O)c1	584910607	CSJYGMIEVCCCPT-STQMWFEESA-N	301.176	1.479	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCC(=O)NOC)c1C	832773512	RJUNNPGPXNCXTJ-ZSOIEALJSA-N	318.377	1.216	50	20	DDGD	
CC(=NNC(=O)C1CCC1)c1ccc(NS(C)(=O)=O)cc1	731934019	RAZINQPCZAIKJZ-UHFFFAOYSA-N	309.391	1.698	50	20	DDGD	
CC(C)[C@@H]1C[C@H](NC(=O)NNC(=O)[C@@H]2CCCCO2)CCO1	836384615	KHMHYXSBDWZOAN-AGIUHOORSA-N	313.398	1.090	50	20	DDGD	
CC1(C)CN(S(=O)(=O)CCl)C[C@@](C)(C(F)(F)F)O1	831633062	ZGTBGLDDTXQTPK-QMMMGPOBSA-N	309.737	1.944	50	20	DDGD	
OB(O)[C@H]1CCN(c2nc3ccccc3nc2N2CCCC2)C1	585072399	AJXUEWTWDMSNAM-LBPRGKRZSA-N	312.182	1.283	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1n[nH]c(C(C)C)c1Br	730273387	TYJPOPAXXSZCKN-UHFFFAOYSA-N	317.187	1.713	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNC(=O)Nc1ccccc1C)C(C)(C)C	831754150	ILRDXCRUTGNDDG-CYBMUJFWSA-N	320.393	1.699	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@H]2C[C@@H]2C(=O)O)c1	738602963	GZAHHOLNOSGSHV-YUMQZZPRSA-N	311.338	1.172	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)Cc1c(F)cccc1Cl	831125952	NPGQAYDUNJMRQN-UHFFFAOYSA-N	323.777	1.475	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1ccc(C(=O)O)cc1C	905483350	HJZQZLWUKCWYMY-RISCZKNCSA-N	304.346	1.958	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@]2(C)C[C@@H]2Br)n1	906878426	NFWXLOJIGOPYTM-CPCISQLKSA-N	315.171	1.410	50	20	DDGD	
O=C(NCC(F)(F)F)NN=Cc1cc(C(=O)O)ccc1O	739401504	BPHFNTYGIVKTQW-UHFFFAOYSA-N	305.212	1.286	50	20	DDGD	
CC(C)(C)c1csc(CNC(=O)c2cccc(B(O)O)c2)n1	584942773	WHLKISSUKBSLJU-UHFFFAOYSA-N	318.207	1.050	50	20	DDGD	
O=C(COCCNC(=O)c1ccccc1)NCC(Cl)Cl	837646259	KYOGVLBFOYVWRN-UHFFFAOYSA-N	319.188	1.353	50	20	DDGD	
O=C(N[C@H](c1cccs1)C1CC1)c1cccc(B(O)O)c1	584927441	CSHURINHEUQAEQ-AWEZNQCLSA-N	301.176	1.309	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccnc(NC2CCC2)c1	911503402	SVDQZLIABXTCJZ-GXFFZTMASA-N	318.377	1.232	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H](C)C2CCC2)cc1OC	837308896	RQOPELHZZRCTPZ-JTQLQIEISA-N	306.362	1.901	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ncsc1Nc1cccnc1	910145155	QNWGOJYEGGNZNJ-VIFPVBQESA-N	307.379	1.239	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)NCC1CCCC1	732235294	STMZEJUAYVUBEZ-UHFFFAOYSA-N	311.407	1.906	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)N=c1cc[nH]cc1)OC	836470375	SZJDRXPXNXCTAE-UHFFFAOYSA-N	309.370	1.044	50	20	DDGD	
CC(C)(C)[C@@H](O)C(=O)NNc1cccc(Br)n1	837212002	NSTNUQJJUDUOQI-VIFPVBQESA-N	302.172	1.694	50	20	DDGD	
O=C(CC[C@H]1CCNC1)NNc1nc(-c2ccccc2)no1	831898528	JCWXJBWNLLRFAB-NSHDSACASA-N	301.350	1.569	50	20	DDGD	
CCCOc1c(C=NNC(=O)NCC(=O)O)cccc1OCC	833652132	MCDPMCJVACJGKG-UHFFFAOYSA-N	323.349	1.592	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1ccccc1F)c1cnn(C)c1	749985025	DKCRWDCZEPXJGV-SNVBAGLBSA-N	304.325	1.053	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NC[C@H]1CCC[C@H](C)C1	748627098	WZWLCACDMJVFMO-XQQFMLRXSA-N	315.414	1.195	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=C2C(=O)Nc3cc(O)ccc32)c1	915944612	LDJSEOUFRAFOQD-UHFFFAOYSA-N	324.340	1.544	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(C#N)cc2)CS1	840417883	RFYKHWOXJUTOIP-BXKDBHETSA-N	304.375	1.396	50	20	DDGD	
COc1cc(Cl)c(C)cc1NC(=O)NNC(=O)CCCN	841010351	VHEFFYKFYMBAFC-UHFFFAOYSA-N	314.773	1.549	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCCOc2cccnc2)n1	746625037	GCZIDIYUCGLBQQ-UHFFFAOYSA-N	317.349	1.491	50	20	DDGD	
CC(C[C@@H]1CCCC(=O)N1)=NNC(=O)Cn1nc(C)cc1C	841611687	WJOWYRAKHFRMLM-ZDUSSCGKSA-N	305.382	1.051	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1ccc(Br)cn1	842555920	RPEOPMWIPYRNTR-KCJUWKMLSA-N	312.167	1.719	50	20	DDGD	
Nc1c(C(=O)NNc2cccc([N+](=O)[O-])c2)cccc1[N+](=O)[O-]	748005235	UEKJKWVEOQAEDL-UHFFFAOYSA-N	317.261	1.842	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](CO)CCF)cc1	846566327	GNDZJTPOIJEZBH-KADHNRKRSA-N	306.337	1.829	50	20	DDGD	
N[C@@H](CNC(=O)NNC(=O)c1ccc(Cl)cc1F)C1CC1	841967978	JTSXGJWILDLIIE-NSHDSACASA-N	314.748	1.160	50	20	DDGD	
Cn1nc(C(=O)NNc2ccc(C#N)cc2)c2ccccc2c1=O	748113338	YOANFPIPQARXIB-UHFFFAOYSA-N	319.324	1.562	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21	910476319	JUDCIKFKESZEIN-WHGOUJPWSA-N	308.769	1.922	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1(c2cccc(F)c2)CC1	843650583	DUHQQWMDDLBNPY-MFKMUULPSA-N	306.337	1.430	50	20	DDGD	
CO[C@H](CS(=O)(=O)NNC(=O)C(C)C)C1CCCCC1	849305060	WZERDHNHSPNKLJ-GFCCVEGCSA-N	306.428	1.188	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1)c1ccccn1	916371695	LHXGWZAUCYDZNW-MGPQQGTHSA-N	318.421	1.667	50	20	DDGD	
O=C(NNC(=S)NCC1CC1)c1cc(-c2ccccc2)on1	849253625	RYQWCLLXWHWDDL-UHFFFAOYSA-N	316.386	1.861	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1	910183711	NVBAKWKFBPLAJC-ZCFIWIBFSA-N	305.693	1.345	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc(-c2ccccc2)[nH]1	843970942	NJWPVQZXOTWIJN-PWSUYJOCSA-N	314.345	1.263	50	20	DDGD	
O=C(NN=Cc1ccc(OC(F)F)cc1)C(=O)N1CCCC1	748137871	XRVGAXWGVNIBEU-UHFFFAOYSA-N	311.288	1.361	50	20	DDGD	
CN(NC(=O)NCCC(C)(C)S(C)(=O)=O)c1ccccc1	841591609	YTNUCRVOYYHEED-UHFFFAOYSA-N	313.423	1.550	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=C1CCN(Cc2ccccc2)C1=O	842551233	CFPOUUGRNYWJCZ-OCCSQVGLSA-N	315.373	1.316	50	20	DDGD	
C[C@H]1C[C@@H](C)CN1C(=O)NNC(=O)COCc1ccccc1	740916900	DUEVDSXVDXMOSZ-OLZOCXBDSA-N	305.378	1.674	50	20	DDGD	
NC[C@@H](NC(=O)NNC(=O)c1ccc(Cl)cc1F)C1CC1	841948283	UFJQBLCYKTXLBT-LLVKDONJSA-N	314.748	1.160	50	20	DDGD	
C[C@]1(CNC(=O)N=c2cc[nH]cc2F)C[C@H]1Br	856851767	ULXVDYIUQZKVLN-MWLCHTKSSA-N	302.147	1.938	50	20	DDGD	
O=C(NC[C@H]1COCO1)NNC(=O)c1cccc2ccccc12	923852850	DYGWZNWUCLMOBG-LBPRGKRZSA-N	315.329	1.157	50	20	DDGD	
Nc1cc(C(=O)NN=Cc2ccc(O)c(F)c2)cc([N+](=O)[O-])c1	755566540	WKGWEAGNAGLXLQ-UHFFFAOYSA-N	318.264	1.786	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccnc(OCC(F)(F)F)c1	757926387	SRRCHYYUVHDYGO-UHFFFAOYSA-N	306.244	1.585	50	20	DDGD	
CC(=O)N1CC[C@@H](NC(=O)[C@@H](Br)C(C)(C)C)C1	857739463	OEQLFDYXBXQMQL-NXEZZACHSA-N	305.216	1.533	50	20	DDGD	
CS(=O)(=O)Nc1cccc(/C=C(/C#N)C(=O)NC2CC2)c1	853004663	WCTXKJVZFMDIJZ-XFFZJAGNSA-N	305.359	1.244	50	20	DDGD	
CCOc1cccc(/C=C\C(=O)NNC(=O)NCCCOC)c1	858782963	FKIZUUQMWMTLQS-HJWRWDBZSA-N	321.377	1.465	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CN2[C@H]3C=CC[C@H]2CC3)cc1	752098751	AEAKSOGQNXKBCO-GJZGRUSLSA-N	310.357	1.112	50	20	DDGD	
COCCOCCCNC(=O)NC[C@]1(C)C[C@@H]1Br	856857764	JUGNUTKPYMCWCI-JQWIXIFHSA-N	323.231	1.512	50	20	DDGD	
CCOc1nccc(C)c1C(=O)NNC(=S)N[C@@H](C)C1CC1	855098745	GTCSESHQUSYONP-JTQLQIEISA-N	322.434	1.696	50	20	DDGD	
C[C@H]1COC[C@@H]1NC(=O)NNC(=O)c1cccc2ccccc12	926001815	BIKCWGWTFJCZDO-NHYWBVRUSA-N	313.357	1.819	50	20	DDGD	
CC[C@H](C)CC[C@@H](O)CC(=O)NNC(=O)c1cccc(F)n1	856427363	UUEVQKSRVONLBE-WDEREUQCSA-N	311.357	1.559	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2ccc(O)c(F)c2)ccn1	755709815	SMFLXDUWOYJBLY-UHFFFAOYSA-N	302.309	1.756	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@@H]2CCCCN2)C[C@H]1Br	857104039	LNMODYAVOCHZKO-HOSYDEDBSA-N	304.232	1.601	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)CN(C)CC(=O)NC(C)C	855365146	DQSLCOHBRFUZKB-UHFFFAOYSA-N	310.373	1.034	50	20	DDGD	
Cn1ncc2c1C[C@H](C(=O)NNc1ncc(Cl)cn1)CC2	857358414	VWSJLWNXGYUDTF-MRVPVSSYSA-N	306.757	1.112	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)CC2CC2)CC(c2ccccc2)=NO1	857274413	YUTWLEROTRSHHE-MRXNPFEDSA-N	301.346	1.517	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(OC(C)C)c(OC)c1	854929685	OOGYDBPIDJGKKH-UHFFFAOYSA-N	311.407	1.563	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NNC(=O)[C@@]2(C)CC=CCC2)c1	857157780	HXGIOSFKTAZFNM-INIZCTEOSA-N	316.361	1.547	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ncc(Cl)cn1)N1CCCCC1	856844486	MPMCRXLOVSCSOT-JTQLQIEISA-N	312.805	1.631	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C[C@H]2CCC(=O)N2C)ccc1F	854854392	URGJMDIVQJZJRC-SNVBAGLBSA-N	323.324	1.066	50	20	DDGD	
C=C[C@](C)(O)C(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1	854236860	NKXMWHKVIMYBDB-INIZCTEOSA-N	322.361	1.180	50	20	DDGD	
CCC[C@@H](CNC(=O)NNC(=O)c1cccc(C)n1)OCC	858411490	KCYVFDFNJWZUTL-LBPRGKRZSA-N	308.382	1.539	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)/C(C)=C\C(C)(C)C	854283600	CDEBFWQCWMTZDC-KHPPLWFESA-N	301.456	1.853	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2cnco2)cc1	758079232	HIJKOLGPMVYXKY-SNVBAGLBSA-N	319.317	1.302	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H]1COCC[C@@H]1c1ccccc1	854927415	HKHCKPUXYSFMGE-CHWSQXEVSA-N	307.419	1.274	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C1CCc2cc(F)c(Cl)cc21	863184285	VPXLELNIZBNVQZ-UHFFFAOYSA-N	318.757	1.290	50	20	DDGD	
CCNC(=O)c1ccc(C)c(NCc2ccccc2B(O)O)c1	864026578	RRTXPQDSOYNFFH-UHFFFAOYSA-N	312.178	1.037	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2nc3ccccc3[nH]2)c1	768500136	LQIKYSYWQZDWPP-UHFFFAOYSA-N	309.329	1.679	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC[C@H](OCCO)C1	866843669	RLPFMAVKVQQJPD-NSHDSACASA-N	313.847	1.055	50	20	DDGD	
Cc1cc(C(=O)NN=C2CC[C@@H](NC(=O)OC(C)(C)C)C2)n[nH]1	863103125	LPHDRVIHGUORCK-SNVBAGLBSA-N	321.381	1.881	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C1CCCC[C@@H]1c1ccccc1	863188370	TUSDIQDGQKKTBN-CYBMUJFWSA-N	308.403	1.861	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNc2nccnc2OC)c1	764481889	NDAHPQRHQJRVIB-UHFFFAOYSA-N	304.306	1.259	50	20	DDGD	
CC(C)COc1cccc(OCC(=O)NNC(=O)C(C)(C)O)c1	768259600	LZIPZCMGQZZBRW-UHFFFAOYSA-N	324.377	1.019	50	20	DDGD	
O=C(CCC1(O)CCC1)NNC(=O)CSc1ccccc1O	867094008	DPLBDBKITYKLDU-UHFFFAOYSA-N	324.402	1.327	50	20	DDGD	
COc1cc(OC)c(OC)cc1NC(=O)NNC(=O)C1CC1	764678074	OBQTZUVVJIVJRP-UHFFFAOYSA-N	309.322	1.275	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)n1	862517703	GUGCWHYRFUOJDN-MNOVXSKESA-N	306.366	1.746	50	20	DDGD	
Cc1cccc(NC(=O)NNc2nc(O)c3cnn(C)c3n2)c1	769934301	PTSLDXUYKAWDQA-UHFFFAOYSA-N	313.321	1.526	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H](C#N)CCc2ccccc2)n1	764215068	DAHKYVOJYHPMKD-CYBMUJFWSA-N	311.345	1.701	50	20	DDGD	
CCCC(=O)N1CCCC[C@@H]1C(=O)NN[C@H](C)C(F)(F)F	862312530	OKIUGFFGPCOMCA-NXEZZACHSA-N	309.332	1.739	50	20	DDGD	
C[C@H]1CCCN(S(=O)(=O)CC(C)(C)CCl)[C@@H]1C(=O)O	864497285	MEBTXUUDWZLQOV-UWVGGRQHSA-N	311.831	1.766	50	20	DDGD	
C[C@H](NNC(=O)C[C@@H](C)NC(=O)OC(C)(C)C)C(F)(F)F	862310652	CNOGXUKGRJIXFS-SFYZADRCSA-N	313.320	1.861	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(OC)c(C#N)cc1F	861263764	FPTDWKKPQDMDME-UHFFFAOYSA-N	309.301	1.404	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)/C=C\c1ccco1	766661473	CUIZQKFBNOFDBF-HJWRWDBZSA-N	306.343	1.840	50	20	DDGD	
C[C@@H](C(=O)NNC(=S)NC(C)(C)C)c1cccc([N+](=O)[O-])c1	762943821	GKIVYAYZFLMRJL-SECBINFHSA-N	324.406	1.992	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCC2CC=CC2)cc1	875799154	XWSUBKNBIMNLFI-UHFFFAOYSA-N	303.362	1.670	50	20	DDGD	
CSCCNC(=S)NNC(=O)CC[C@H]1CC[C@H](C)O1	769769462	UCWDDAGHIJYINH-VHSXEESVSA-N	305.469	1.192	50	20	DDGD	
NC(=O)N1CCC[C@H]1C(=O)NNc1cc(Cl)ccc1F	871272018	IIBOQGFPFIINCZ-JTQLQIEISA-N	300.721	1.465	50	20	DDGD	
CCC[C@H](CNC(=O)NNC(=O)c1ccccc1O)OCC	875781252	BRLSFRXJMJVIFG-LLVKDONJSA-N	309.366	1.541	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CCCNC(=O)C1CC1	777774362	KLEFSNWWHLJVEH-UHFFFAOYSA-N	319.361	1.223	50	20	DDGD	
CCOc1ccc(C(C)=NNC(=O)C(=O)OC)cc1[N+](=O)[O-]	1116422188	OBCLEJZUEFCSQJ-UHFFFAOYSA-N	309.278	1.007	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1cnn(CC2CC2)c1	878004584	XYPKPGQJWSTHQY-UHFFFAOYSA-N	300.318	1.074	50	20	DDGD	
O=C(NN=Cc1cn2ccccc2n1)c1n[nH]c2c1CCCC2	1115878562	BEDCLGNCNIDDFM-UHFFFAOYSA-N	308.345	1.700	50	20	DDGD	
COc1cc(C(N)=O)ccc1NC(=O)NCC(Cl)Cl	879849850	GAAPMEBGMFTHMW-UHFFFAOYSA-N	306.149	1.719	50	20	DDGD	
Cc1ncsc1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	772009913	NYHMQHZFSGEEQK-VIFPVBQESA-N	313.379	1.190	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNC(=O)c2cccn2C)cc1O	771932275	WHDZQNYEVFOIFB-VURMDHGXSA-N	315.329	1.214	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2c[nH]c(C#N)c2)cc1	778537819	BYHSXNODPSATBW-UHFFFAOYSA-N	314.370	1.748	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)N[C@@H]1C[C@@H]1C1CCCCC1	883458433	JKUDKXDMPAZWAN-DGCLKSJQSA-N	303.366	1.389	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCC[C@@H](C)C1	772160399	VZLCFMYMWQCEAB-FRRDWIJNSA-N	312.410	1.938	50	20	DDGD	
CN(NC(=O)Cc1ccc(OCc2ccccn2)cc1)C(N)=O	778415547	ZVAJQQFFNGQZPF-UHFFFAOYSA-N	314.345	1.245	50	20	DDGD	
Cc1cc(F)cc(C(=O)NNc2nc(O)c3cnn(C)c3n2)c1	770969495	QZENOEWCECLHTG-UHFFFAOYSA-N	316.296	1.273	50	20	DDGD	
COC(=O)CSCCC(=O)NNc1c(F)cc(F)cc1F	885150633	DTBBCOYDFBHEKG-UHFFFAOYSA-N	322.308	1.843	50	20	DDGD	
COC(=O)[C@@H]1C[C@H](NS(=O)(=O)CCl)c2ccccc21	882654598	RPCYUNYMQLBWGU-MNOVXSKESA-N	303.767	1.504	50	20	DDGD	
CCC1(CC)Oc2ccc(NC(=O)NNC(=O)COC)cc2O1	787487476	VRQVZESYAKHGGU-UHFFFAOYSA-N	323.349	1.773	50	20	DDGD	
N#C/C(=C\c1ccccc1)C(=O)OCCn1cc([N+](=O)[O-])cn1	785343311	CNYSARBZHSGLSD-MDWZMJQESA-N	312.285	1.942	50	20	DDGD	
N#Cc1ccc(NNC(=O)N[C@H]2CCCC23CCOCC3)nc1	888973616	HSKIBDFLQOWTSS-ZDUSSCGKSA-N	315.377	1.929	50	20	DDGD	
CCN(c1cccc(O)c1)[C@@H](C)C(=O)NNC(=O)CC(C)C	789456671	BXTHRDAVPHEQTE-LBPRGKRZSA-N	307.394	1.801	50	20	DDGD	
COC(=O)[C@@H]1C[C@H](C)CCN1S(=O)(=O)CCCCCl	780849036	IVSQAEHCAVYZSY-MNOVXSKESA-N	311.831	1.609	50	20	DDGD	
CC[C@H](C)CCCCC(=O)NNC(=O)CNC(=O)c1ccco1	783954034	OCOLXGVZIXLXKM-LBPRGKRZSA-N	323.393	1.763	50	20	DDGD	
CO[C@]1(C(=O)NNc2nccnc2C2CCC2)CCSC1	897762726	XVPXUPMQOXELDS-CQSZACIVSA-N	308.407	1.709	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2ncncc2Cl)CN1C1CC1	780998419	UYORTHZXPUVLEB-DTWKUNHWSA-N	310.789	1.381	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@H](C)N2CCCCC2)n1	780025547	GBHWOAPBLWVPGW-LBPRGKRZSA-N	307.398	1.591	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2nc3ccccc3[nH]2)C1	788003342	GRUGLPPPJOJILE-NXEZZACHSA-N	301.350	1.298	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccc(C#N)c(O)c2)c1	785414656	UHSJUROWJHJUHV-UHFFFAOYSA-N	311.297	1.807	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cc(C(=O)O)c(Cl)s1	899340129	YLINDYVRSCTUBO-DAXSKMNVSA-N	314.750	1.769	50	20	DDGD	
N#Cc1ccc(C[C@@H](C#N)C(=O)NNC(=O)CC(F)(F)F)cc1	792633441	VAGYJUMWCBRQFI-NSHDSACASA-N	324.262	1.340	50	20	DDGD	
O=C(NNC(=O)c1ccnn1-c1ccccc1)c1ccccc1O	792629510	QNVLVERQRSDWMA-UHFFFAOYSA-N	322.324	1.653	50	20	DDGD	
CN1CCC[C@H]1C(=O)NNC(=O)Cc1ccc2ccccc2c1	895749157	XBJOECYWBYQQJP-INIZCTEOSA-N	311.385	1.624	50	20	DDGD	
C[C@@H](NC(=O)CCc1ccccc1)C(=O)N1CC=C(C#N)CC1	799716205	NKMNBOBCTGKVHT-CQSZACIVSA-N	311.385	1.806	50	20	DDGD	
Cc1nn(C(C)C)cc1C=NNC(=O)c1ccc(O)c(O)c1	799114148	SYNOIWAKVNNZKN-UHFFFAOYSA-N	302.334	1.948	50	20	DDGD	
Cc1cccnc1NNC(=O)NCc1cccc(-n2cncn2)c1	791024496	XAAKVVXFVPDMGJ-UHFFFAOYSA-N	323.360	1.797	50	20	DDGD	
CC1CCC(OCC(=O)NNC(=S)NC(C)(C)C)CC1	798124372	QWWSCAXWTPZFTM-UHFFFAOYSA-N	301.456	1.876	50	20	DDGD	
COC(=O)C(=O)NN=C1CCc2c(Br)cccc21	1323403921	FCPPOAANLFRXDT-UHFFFAOYSA-N	311.135	1.389	50	20	DDGD	
C=C(CBr)CN1CCC[C@H](C(=O)NC2CC2)C1	1324933150	JFIUGGIVWOHEHE-NSHDSACASA-N	301.228	1.928	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2C[C@H](C)O[C@H](C3CC3)C2)c1	1328815950	VKSFOBBYBZLPFK-JQWIXIFHSA-N	323.418	1.910	50	20	DDGD	
O=C(NCCn1cccc1)NNC(=O)c1ccccc1Cl	1322422680	ONJQONJKAGUXID-UHFFFAOYSA-N	306.753	1.786	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)[C@H]2CCCCO2)cc1C=O	1324511957	CAGSCDGSAUSXCE-CQSZACIVSA-N	304.346	1.446	50	20	DDGD	
O=S(=O)(CBr)NCc1ccc2c(c1)CCC2	1324403046	GUKUERBWGUSMFJ-UHFFFAOYSA-N	304.209	1.947	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)o1	1326697068	HBQJESPHXXXQRV-UHFFFAOYSA-N	323.236	1.870	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C[C@@H](C)n2cccn2)cc1	1326147966	WWTNIYSTPJULOM-LLVKDONJSA-N	302.334	1.304	50	20	DDGD	
CC1(C)C[C@@H]1NC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1328530237	FWORYORVUKCILO-RGNHYFCHSA-N	303.200	1.191	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H](CO)CC(C)(C)C)c1	1331312423	JGHFWCRAMWJMBI-SNVBAGLBSA-N	313.423	1.798	50	20	DDGD	
CC[C@H](F)C(=O)NNc1c(OC)cccc1S(C)(=O)=O	1335861573	JZRHKHNWOSGOBS-QMMMGPOBSA-N	304.343	1.290	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)[C@H]2CCc3c[nH]nc3C2)nn1	1339605759	UUWOVIUVROYUEG-JTQLQIEISA-N	314.393	1.745	50	20	DDGD	
CC[C@H](F)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	1262625383	ISFOLFYQCXUGQO-NSHDSACASA-N	303.359	1.128	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)NCC2CCC2)cc1C	1347107433	APPXKUMKGKZWPT-UHFFFAOYSA-N	307.419	1.913	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N2CC[C@@H](CF)C2)C[C@H]1Br	1353782247	GJYSCHNDZVYOQH-YGOYTEALSA-N	321.190	1.094	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@@H](C)[C@@H]1CN(C)CCN1C	1528122363	MEGXTXDUCLLTQO-WFASDCNBSA-N	323.416	1.395	50	20	DDGD	
Cc1cc(NNC(=O)CC2(CC(=O)O)CCCC2)nc(C)n1	1607696030	VQHXSYALRNBJJN-UHFFFAOYSA-N	306.366	1.962	50	20	DDGD	
CC1(C)C[C@]1(C(=O)O)C(=O)NNC(=O)CCOc1ccccc1	1603320480	ILTGNYPYFRVOKE-MRXNPFEDSA-N	320.345	1.104	50	20	DDGD	
O=C(O)[C@@]1(C(=O)NNc2ncccc2F)C[C@H]1c1ccccc1	1608566749	XRKKSPJHCGBFBY-ZBEGNZNMSA-N	315.304	1.922	50	20	DDGD	
Cc1ccc(Br)c(NNC(=O)[C@H](C)C(=O)O)c1	1605242869	JNIWNSMIHYSYBA-ZETCQYMHSA-N	301.140	1.921	50	20	DDGD	
Cc1c(NNC(=O)c2ccc([N+](=O)[O-])[nH]2)cccc1C(=O)O	1600053969	BJVLQAUFFDSLHM-UHFFFAOYSA-N	304.262	1.686	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cncc(C(=O)O)c1	1607190995	CZCHUCXVTIPICL-UHFFFAOYSA-N	318.241	1.916	50	20	DDGD	
O=C(O)C12CCC(C(=O)NNc3nc4ccccn4n3)(CC1)C2	1601731191	ZORLDCQBTORDAX-UHFFFAOYSA-N	315.333	1.208	50	20	DDGD	
O=C(NNC(=O)c1ccccc1C(=O)O)c1ccc(Cl)nc1	1601555794	OTOOTFVLBSEABA-UHFFFAOYSA-N	319.704	1.508	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1sccc1-c1nn[nH]n1	1606851492	ALHGJETUVRRNDP-UHFFFAOYSA-N	321.366	1.271	50	20	DDGD	
N#Cc1ccc([C@H](O)C(=O)NNc2cccc(C(=O)O)c2)cc1	1601096450	DXNUJONANBIGNU-AWEZNQCLSA-N	311.297	1.433	50	20	DDGD	
CC[C@H](C(=O)O)C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	1609886443	MAKDQVXFTNACSM-WPRPVWTQSA-N	324.402	1.745	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccc(C(=O)O)cc1F	1608424851	SULYDQVVINFTEG-UHFFFAOYSA-N	323.202	1.030	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc(F)c(-c2nn[nH]n2)c1	1609216453	KAZXVPVHUBNRRF-POHAHGRESA-N	321.337	1.695	50	20	DDGD	
Cn1cc(C=NNC(=O)c2cn(C)c3ccccc23)cc1C(=O)O	1610601655	RHTMPWRYNSOWQU-UHFFFAOYSA-N	324.340	1.979	50	20	DDGD	
O=C(CCCc1cccs1)NNC(=O)c1cc(C(=O)O)no1	1610656542	HBNPVNVOUDSEGI-UHFFFAOYSA-N	323.330	1.218	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C(=O)O)c1cc(C)cc(C)c1	1610033693	CYFKUERYKVTUPT-SSUFTNFISA-N	302.330	1.989	50	20	DDGD	
COCCC(C)=NNC(=O)[C@H]1CCCO[C@H]1c1ccnn1C	1549315577	OBFIRIFPTZPUGL-GXTWGEPZSA-N	308.382	1.416	50	20	DDGD	
Cn1cc(C(=O)NN=C[C@H]2CCCO[C@H]2c2cnn(C)c2)cn1	1552449725	OQZNASXNESYARQ-BXUZGUMPSA-N	316.365	1.037	50	20	DDGD	
C#CC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](F)Cl)sc2C1	1817134335	MRBVPWHMQCLUTN-QUBYGPBYSA-N	315.757	1.223	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)c1cn(CCCCN)nn1	1579604723	ZCYCJBWIWXXLFL-UHFFFAOYSA-N	322.800	1.736	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](N)CCCCC#N)c1	1578877754	KBPFLYHMBLGPOH-CYBMUJFWSA-N	304.350	1.328	50	20	DDGD	
CNC1CC(C(=O)NNC(=S)Nc2cc(C)ccc2C)C1	1578594861	DDDGFOJGGLWNSI-UHFFFAOYSA-N	306.435	1.619	50	20	DDGD	
C[C@H](C(=O)O)N(C1CCC1)S(=O)(=O)CC(C)(C)CCl	1589479428	SLPQBRKYFKFSCO-SECBINFHSA-N	311.831	1.909	50	20	DDGD	
COCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(Cl)Cl	1847477660	MFSBUBMVYBCLPY-UWVGGRQHSA-N	323.220	1.419	50	20	DDGD	
O=C(NN=C1CCCc2cc(-c3nn[nH]n3)cnc21)C1CCC1	1593155541	OVGCGBPMNXBXMN-UHFFFAOYSA-N	311.349	1.218	50	20	DDGD	
CC(C)(CC(=O)O)NS(=O)(=O)c1ccc(CCl)cc1	1590649598	YKXBXVZBHTZRNX-UHFFFAOYSA-N	305.783	1.957	50	20	DDGD	
C[C@H]1CCn2cc(C(=O)NNc3ccc(C(=O)O)cn3)nc2C1	1594451715	CWSPAABEIOGAGU-VIFPVBQESA-N	315.333	1.316	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CC(C(=O)O)C2)cc1	1592426507	SQCGDUIJLOYZSP-KPKJPENVSA-N	300.314	1.535	50	20	DDGD	
CCCCC[C@@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)O	1595670574	RZFZBLWYBPCJOM-BWODNOAJSA-N	304.350	1.477	50	20	DDGD	
CO[C@H](CNC(=O)NNc1ccc(CC(=O)O)cc1)C1CC1	1599050490	RZNJKPKBHJVFSK-CYBMUJFWSA-N	307.350	1.365	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@]12C[C@H]1COC2(C)C	1599375910	IBPGKTXGOCGOQA-MGPLVRAMSA-N	320.345	1.652	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@@H]1CCc2cccc(O)c21	1595261848	KLYPAXRSFIZTQG-SNVBAGLBSA-N	313.313	1.659	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl)C(=O)C1CC1	1796803977	FZEVZTZQZNFTEW-WYFGTUCQSA-N	316.760	1.138	50	20	DDGD	
CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Br)C2	1795761583	JYCZCQIRRORWFH-UTINFBMNSA-N	307.163	1.335	50	20	DDGD	
Cn1cc(Cl)cc1C(=O)NNC(=O)Cc1ccccc1F	12394283	CAOCPTKAJJSMJC-UHFFFAOYSA-N	309.728	1.821	50	20	DDGD	
COCc1nc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cs1	150861890	BRRODFNOHVWRBK-UHFFFAOYSA-N	308.319	1.955	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1ccc(N(CC)CC)nc1	158998810	WCFMRFBGJATGCA-OWBHPGMISA-N	302.378	1.988	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H]1C[C@@H]1c1sccc1C	163047565	OETSXVFQPYKYPD-WDEREUQCSA-N	311.407	1.527	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCC[C@@H]3OCC[C@H]23)o1	151621534	UFPBFYXZFHYOPC-WOPDTQHZSA-N	307.350	1.490	50	20	DDGD	
CS(=O)(=O)CCC(=O)NNc1ccc(C(F)(F)F)cc1	153712802	JZCLEBSSDSPFCU-UHFFFAOYSA-N	310.297	1.583	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)cn1	153809757	DLCAIINUQUDKRM-UHFFFAOYSA-N	324.262	1.956	50	20	DDGD	
Cc1nn(C)c2ncc(C(=O)NNc3ccc(C#N)cc3)cc12	155285732	LTJIZFGLZXIPQH-UHFFFAOYSA-N	306.329	1.905	50	20	DDGD	
CCC(=O)c1cccc(S(=O)(=O)NNC(=O)C(C)(C)C)c1	159907829	CSJWHPYPUVRDJJ-UHFFFAOYSA-N	312.391	1.635	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H](C)NC(=O)OCc1ccccc1	36618303	LUBJBKUBLSTWHE-JTQLQIEISA-N	309.322	1.079	50	20	DDGD	
O=S(=O)(NC[C@H](O)C1CCC1)c1ccc(CCCl)cc1	315831227	MGNMBIZIYGXSIB-AWEZNQCLSA-N	317.838	1.907	50	20	DDGD	
CNC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1C	56371145	NYWDUNDJWLNIAX-ZDUSSCGKSA-N	320.393	1.100	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CC[C@H]2CCOC2)c(C)c1	175874565	TWWBYDREHGYEER-AWEZNQCLSA-N	319.405	1.679	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccccc1CN1CCOCC1	55010534	LRRRMDRCUNUHCW-NTCAYCPXSA-N	315.373	1.901	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@H]1CSc2ccccc21	118320690	HEIUTPBCIYHMJE-LBPRGKRZSA-N	317.370	2.000	50	20	DDGD	
Cc1nnc(NNC(=O)c2cc(Cl)ccc2Cl)nc1O	29066797	HZRMAWRDEYREPX-UHFFFAOYSA-N	314.132	1.949	50	20	DDGD	
O=C(/C=C/c1ccc(Cl)nc1)NNC(=O)Cc1ccncc1	119536776	XYEYAKLVEZPZNQ-DUXPYHPUSA-N	316.748	1.533	50	20	DDGD	
COCCCNC(=O)NNC(=O)C1(c2ccccc2)CCC1	65206052	IOLUUIJBAXAAGJ-UHFFFAOYSA-N	305.378	1.475	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@@H]1C[C@H]1c1ccc(F)cc1	65508428	NRPCLHJKIRWXAQ-XQQFMLRXSA-N	307.325	1.191	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=S)N[C@@H](C)C2CC2)cc1	171168920	BNZQPQBQMVPWBG-NSHDSACASA-N	321.446	1.922	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)n1	112824893	HWXYHCIXXJGANZ-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)c1cc(Cl)c[nH]1	30059909	SDKUWWOOMXZQOL-UHFFFAOYSA-N	317.736	1.699	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1oc(C)cc1C	175243923	ASDGIMIWSHVNSY-UHFFFAOYSA-N	302.330	1.909	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)Cc1ccoc1	118993631	OBJSEMCMIAFRJV-UHFFFAOYSA-N	308.721	1.945	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1c[nH]c2ccc(F)cc12	115728801	BKLNZAHJBVJSGY-UHFFFAOYSA-N	306.366	1.531	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1c(F)cccc1Br	176259230	OPSLHHRVZKYTTH-UHFFFAOYSA-N	304.119	1.504	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(c2cc(OC)ccn2)CC1	178964817	DTOFXEBZUMVZMI-OUKQBFOZSA-N	316.361	1.183	50	20	DDGD	
COc1csc(C(=O)NNC(=O)COc2cccc(C)c2)c1	176409601	LSXHHDPIHMRCPM-UHFFFAOYSA-N	320.370	1.905	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNC(=O)c2ccc(C#N)cc2)cn1	61463541	KUFAQQPFBGYDMU-UHFFFAOYSA-N	324.340	1.815	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1nnc(-c2ccccc2)o1	63793924	NCHIKIPSCNWXJQ-UHFFFAOYSA-N	305.363	1.254	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H]2CCCOC2)c1	171024764	VTXDRBKVZFYTKH-ZDUSSCGKSA-N	306.362	1.256	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNC(=O)c1c(C)nc2ccccn12	129299968	DPEIEMZNVXFVGK-NSHDSACASA-N	319.365	1.012	50	20	DDGD	
Nc1ccc(C(=O)NNC(=O)NC2CCCC2)cc1[N+](=O)[O-]	65920870	AHWZFHQTSQKGHX-UHFFFAOYSA-N	307.310	1.064	50	20	DDGD	
Cc1nc(C(F)(F)F)ccc1C(=O)NNC(=O)NCC1CC1	65192236	DAEBTFVSTRJDEU-UHFFFAOYSA-N	316.283	1.763	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)Cc1ccoc1	185790487	ZJIHDUGQTMEIKA-UHFFFAOYSA-N	320.370	1.770	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1	126568691	JHTKBXODMRHEMG-TZMCWYRMSA-N	322.453	1.722	50	20	DDGD	
CCC(CC)[C@@H](C(=O)NNc1ccnc(F)c1)N1CCOCC1	182482767	HXGGFVTVIUYFCO-HNNXBMFYSA-N	324.400	1.801	50	20	DDGD	
CCNC(=O)C(C)(C)CNC(=O)NNc1c(C)cccc1F	185579963	WIYKCDHORUYKAS-UHFFFAOYSA-N	310.373	1.923	50	20	DDGD	
Cc1ccc(F)c(NC(=O)C(=O)NNC(=O)c2ccccc2)c1	181984301	OTTHUQZNDHEWDD-UHFFFAOYSA-N	315.304	1.534	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2nc(C)cs2)cc1	125672007	OKCZAYHUJOVSQW-UHFFFAOYSA-N	320.374	1.992	50	20	DDGD	
COC1(C(=O)NNC(=O)COc2cccc(C)c2)CCCCC1	184882640	UTAMPPIAHXKVBE-UHFFFAOYSA-N	320.389	1.871	50	20	DDGD	
Cn1nccc1CCNC(=O)NNc1cc(F)c(F)c(F)c1	185012140	MSOFDOBTIRAUSG-UHFFFAOYSA-N	313.283	1.706	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1C[C@@]12CCc1ccccc12	184366855	BZYDTQYUJBREHH-SUMWQHHRSA-N	310.357	1.832	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1cccc(-n2cnnn2)c1	184379439	WOFNDHSYVMSASH-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
C=C[C@](C)(CC)C(=O)NNC(=O)Cc1cn2ccccc2n1	135092794	UNOIPKRBHGIPQG-MRXNPFEDSA-N	300.362	1.627	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1	46305591	DWORVTHZSJBAJB-UHFFFAOYSA-N	313.273	1.521	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)c2ccccc2O)ccc1F	45346274	RBXGSSXRRMUYTL-UHFFFAOYSA-N	317.320	1.984	50	20	DDGD	
O=C(CC[C@@H]1CCCO1)NNc1nc2ccccc2c(=O)[nH]1	137192586	LSNMYKMZNZFPII-JTQLQIEISA-N	302.334	1.325	50	20	DDGD	
N#C/C(=C\c1ccc([N+](=O)[O-])c(O)c1)S(=O)(=O)NC1CC1	189432050	DIGXNOCVTLQOHI-BJMVGYQFSA-N	309.303	1.247	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ccccn2)ccc1N(C)C	181416367	WYKNZZHXJJNTCJ-UHFFFAOYSA-N	313.361	1.538	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc3ncsc3c2)n1	46363461	FSSAKVCMVMBCTI-UHFFFAOYSA-N	301.331	1.852	50	20	DDGD	
CC(C)=CCNC(=O)NNC(=O)Cc1cn2ccccc2n1	190656221	SDYWQAMRYWPILU-UHFFFAOYSA-N	301.350	1.173	50	20	DDGD	
CCn1cc(NC(=O)C(=O)NNc2cc(C)cc(C)c2)cn1	131855085	PWAOREFXNBXSLA-UHFFFAOYSA-N	301.350	1.602	50	20	DDGD	
C=CCC1(C(=O)NNC(=O)c2cccc(OC)c2O)CCC1	192129751	VZLPXXUDMJYLNQ-UHFFFAOYSA-N	304.346	1.908	50	20	DDGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nnn[nH]2)c1C	135475030	UEYRCTFQAHFYCV-JYRVWZFOSA-N	313.365	1.964	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C(C)(C)O)c1cn(C)c2ccccc12	192925676	YHUAUXAIFXEUGN-JTQLQIEISA-N	303.362	1.200	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)[C@H]1CCCO1)Cc1cccc(F)c1	81256701	SIQIKKKISVCBGN-SMDDNHRTSA-N	308.353	1.721	50	20	DDGD	
CCn1cc(NC(=O)NNc2cccc([N+](=O)[O-])c2)ccc1=O	146259894	OXKXKHUNCYGEML-UHFFFAOYSA-N	317.305	1.925	50	20	DDGD	
C[C@H](Oc1cccc2ccccc12)C(=O)NNC(=O)C(C)(C)O	192923307	INUSTJLNZYVSGT-NSHDSACASA-N	316.357	1.525	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C[C@H](N)c2ccccc2)n1	237304762	ROKLKJWFJKPZMB-LBPRGKRZSA-N	301.350	1.327	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNC(=O)[C@H](CC)c1ccccc1	92444073	LFZFBDNRDAKGNI-CYBMUJFWSA-N	314.389	1.937	50	20	DDGD	
C[C@@H]1CCC[C@H](C(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1	247092468	UPZDXRGGPMGOJS-TYNCELHUSA-N	318.373	1.800	50	20	DDGD	
C[C@@H](CCc1ccco1)NC(=O)NNC(=O)Cc1cccnc1	264109243	KAKWBWABCIHSFG-LBPRGKRZSA-N	316.361	1.569	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)Oc2ccc([N+](=O)[O-])cc2OC)C1	269521664	SDAUAAUHZIFKIC-JTQLQIEISA-N	322.317	1.767	50	20	DDGD	
CC[C@H](Oc1ccccc1C)C(=O)NNC(=O)N1CCOCC1	267244318	JNELDFMCQQMLFK-ZDUSSCGKSA-N	321.377	1.225	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H](C)[C@@H]2CCOC2)cc1	266612314	UHAJPWYEBHSMMU-SMDDNHRTSA-N	305.378	1.618	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)COc2ccc(F)cc2)O1	268388943	ZYBFMWKFUQPION-AAEUAGOBSA-N	310.325	1.310	50	20	DDGD	
C[C@@H]1CC(C(=O)NNC(=O)COc2ccccc2O)C[C@@H](C)C1	272494615	HTFIOIPTABXKGG-RYUDHWBXSA-N	320.389	1.991	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)COCc1ccccc1	278549831	GMRLTUNIYKICCD-UHFFFAOYSA-N	324.377	1.140	50	20	DDGD	
CC(=O)NNC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1	271098711	MKGQFPIIRZXGFU-CQSZACIVSA-N	321.377	1.495	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1ccc(CCN(C)C)cc1	276332058	QRTGQEBVVYHHLK-DTQAZKPQSA-N	301.390	1.851	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@H]2CCO[C@H](C)C2)n1	271685576	RBLHOXQEWSBDGT-MNOVXSKESA-N	309.370	1.235	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCC(=O)C[C@@H]2C)c1	272790368	HJEQNEVUDIFLTQ-HZMBPMFUSA-N	304.346	1.922	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc(F)n1)C(=O)N1CCCC[C@H]1C	287776883	KFLVSWSGLJCTEC-GHMZBOCLSA-N	323.372	1.636	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(C)n(-c2ccc(C)cc2)n1	286313801	KNPGCEKXNLOLTK-UHFFFAOYSA-N	302.334	1.832	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2OC[C@H]3COCC[C@H]32)cc1	289315939	FNUDHINZSYRLKO-RBSFLKMASA-N	318.373	1.062	50	20	DDGD	
COC(=O)c1cc(OC(=O)[C@H]2C[C@]23CCOC3)ccc1[N+](=O)[O-]	373406304	ISNXHOFKUJGTBZ-ABAIWWIYSA-N	321.285	1.713	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)COCc2ccccc2)C1	286980293	JIKJZOFWTUUXAS-UHFFFAOYSA-N	306.362	1.166	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNc2ccc(C(F)(F)F)nn2)O1	282247258	BVXPFVCSRSWSQD-XSSZXYGBSA-N	304.272	1.752	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc(C(F)(F)F)cc1O	294154625	MOUZZQIYIIGAMI-UHFFFAOYSA-N	302.252	1.972	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2cn[nH]c2)cc1	298648299	IPZGYBUXPUSCGB-SNVBAGLBSA-N	318.333	1.037	50	20	DDGD	
CCOCCNC(=O)NNC(=O)Nc1ccc(Cl)cc1	296186138	CQICNAVNJMXHJA-UHFFFAOYSA-N	300.746	1.712	50	20	DDGD	
Cc1nsc(NC2CC2)c1C(=O)NNC(=O)c1ccncc1	292283085	ILCBOLMOBCBGRD-UHFFFAOYSA-N	317.374	1.496	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)[C@@H]2CCCCO2)ccc1F	296753210	PVWGBNPNUSZYTE-LBPRGKRZSA-N	316.354	1.013	50	20	DDGD	
Cn1nc(NC(=O)NNC(=O)c2ccccn2)cc1C1CC1	290311706	FWZGNBZVECQABI-UHFFFAOYSA-N	300.322	1.159	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ncc(C2CCOCC2)s1	297284162	GEBPJQDCQXOUPU-UHFFFAOYSA-N	324.406	1.990	50	20	DDGD	
COCCN(C)C(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C	298869049	UNHDCTYCKXGMDR-LFIBNONCSA-N	319.405	1.763	50	20	DDGD	
N#Cc1ccc(NC(=O)NNC(=O)[C@H]2CCCCO2)cc1Cl	296108680	BFSAZNRLAPXGQI-GFCCVEGCSA-N	322.752	1.933	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCCO2)cc1C	292846296	FORJSXQELAGOON-LBPRGKRZSA-N	321.333	1.113	50	20	DDGD	
C[C@H](C(=O)NNC(=O)N=c1cc[nH]cc1)c1ccccc1F	802036504	YUPUIXMDSMSRCO-JTQLQIEISA-N	302.309	1.599	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ccc3cncn3c2)n1	803097230	RLLAWKKRTDVOGC-UHFFFAOYSA-N	303.713	1.117	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)NC1CCN(C2CC2)CC1	292538357	WIXZBVMJLOBAHN-UHFFFAOYSA-N	309.801	1.988	50	20	DDGD	
COCCCOc1ccc(CNC(=O)NNC(=O)C(C)C)cc1	805758279	GRUOVLGVKWRYCI-UHFFFAOYSA-N	323.393	1.588	50	20	DDGD	
CCCC(=O)N1CCC[C@@H](C(=O)NNc2ncncc2F)C1	817080758	CVSJNWFUAJDKER-SNVBAGLBSA-N	309.345	1.098	50	20	DDGD	
CCC1(C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)CC1	812726958	AMXJDRJLODQVKT-UHFFFAOYSA-N	311.407	1.570	50	20	DDGD	
O=C(NNc1ncncc1F)c1csc(-c2cnccn2)n1	817077217	CILXMRZSIGCURM-UHFFFAOYSA-N	317.309	1.286	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1ccc(F)cc1OC	816338287	CKCOBYVRQQNXCQ-JTQLQIEISA-N	300.330	1.719	50	20	DDGD	
CN(NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1)C1CC1	819645369	HTOKLADIUQAYCT-UHFFFAOYSA-N	315.395	1.095	50	20	DDGD	
CN(NC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)C1CC1	819645903	WETKFZVPVANKDE-OAHLLOKOSA-N	315.417	1.593	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)c1cc(CO)on1	812226904	WPPFHOFLBFBBKY-UHFFFAOYSA-N	318.289	1.411	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)Cc1c[nH]c2ccccc12	811633463	OKLOLCCGCHMQGS-CYBMUJFWSA-N	312.373	1.871	50	20	DDGD	
CCS(=O)(=O)NCC(=O)NNc1c(C)cccc1C(C)C	812766978	PVEOTYFRDFMZPJ-UHFFFAOYSA-N	313.423	1.501	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2cccnc2)cn1	726892127	FCEHLDUEFQZXIA-UHFFFAOYSA-N	303.347	1.117	50	20	DDGD	
C[C@@H]1CCC[C@@]1(C)C(=O)NNC(=O)COc1ccccc1O	823180527	WGAKVACTKXCJEF-BDJLRTHQSA-N	306.362	1.745	50	20	DDGD	
CC(C)CO[C@@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	824266448	LWBROCCFANDHAR-JTQLQIEISA-N	304.354	1.371	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1cccc(O)c1	827004774	OAZHRZPRXURMID-CWSCBRNRSA-N	307.350	1.209	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NNC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)c1	827148944	QVQRZDMNSHRACS-COPLHBTASA-N	316.361	1.237	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCc2ccc3c(n2)CCCC3)cn1	491088117	YQSMYDIMTZLJQY-OVCLIPMQSA-N	321.384	1.917	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C[C@H](n1cccn1)C(F)(F)F	822253077	RTAVLKBXROUUFE-QMMMGPOBSA-N	306.288	1.570	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F	497097197	HXPRULJXSWPDHZ-UHFFFAOYSA-N	322.287	2.000	50	20	DDGD	
CN(C)C1(C(=O)NNC(=O)c2c(Cl)cccc2Cl)CC1	825768266	GBBWTPOOFYKCFT-UHFFFAOYSA-N	316.188	1.849	50	20	DDGD	
CN(C)CC1(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)CC1	822765097	UYLIMNSOKNUKRX-UHFFFAOYSA-N	319.409	1.247	50	20	DDGD	
C=CCC1(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)CCCC1	826923551	RNCPUXGQRCVKMX-STQMWFEESA-N	309.410	1.878	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)Cn2ccc(C)n2)c1	822194624	HOASXWHSTQPABT-UHFFFAOYSA-N	316.361	1.035	50	20	DDGD	
O=C(c1ccc(Oc2ccccc2)o1)N1CC[C@H](B(O)O)C1	585066158	LQYFPWBKCYVXPB-NSHDSACASA-N	301.107	1.761	50	20	DDGD	
COc1cc(C#N)ccc1C(=O)NNC(=S)NCC1CCC1	824436394	ARYSGWYWRMMCSP-UHFFFAOYSA-N	318.402	1.476	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H](c1ccccc1)C1CC1	825574448	SPGGIJGJRCTDJJ-TUKIKUTGSA-N	317.389	1.893	50	20	DDGD	
C[C@@H](C=NNC(=O)c1cccnc1)CNC(=O)OC(C)(C)C	496631145	GOHJSDGFLFANQE-LLVKDONJSA-N	306.366	1.958	50	20	DDGD	
C[C@H](CN1CCCCC1)NC(=O)/C(C#N)=C\c1cnn(C)c1	491011168	OAJLXSIZJXQANS-ATDKOCKZSA-N	301.394	1.318	50	20	DDGD	
CCNC(=O)NC1(C(=O)NNC(=O)OC(C)(C)C)CCCC1	490754511	PYZLSIXWGGSWJL-UHFFFAOYSA-N	314.386	1.174	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)OC(C)(C)C)C1CCOCC1	492817783	GDWGXXDKHUZNST-LLVKDONJSA-N	301.387	1.931	50	20	DDGD	
O=C(/C=C/c1ccsc1)NNc1ccc(-n2ccnc2)nn1	493835165	ILARATXPIYROIN-DAFODLJHSA-N	312.358	1.880	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cnc(F)c(Cl)c1	824437598	WSOZZCQQGHAQQN-UHFFFAOYSA-N	316.789	1.783	50	20	DDGD	
COC[C@@H](C)CC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	821681030	ACNIPUAJEGXLRU-QMMMGPOBSA-N	323.357	1.094	50	20	DDGD	
Cc1ccc(CC[C@@H](C)NC(=O)c2ccc(B(O)O)c(F)c2)o1	584951624	KFBABUMPMWIBQG-SNVBAGLBSA-N	319.141	1.158	50	20	DDGD	
CC(C)Cn1ncc(NCc2ccc(B(O)O)o2)c1C(F)F	585033319	CRDVNMBDEVOWHR-UHFFFAOYSA-N	313.113	1.362	50	20	DDGD	
O=S(=O)(c1ccc2ccccc2c1)N1CC[C@@H](B(O)O)C1	585060954	MGEZDSYAYAIFCP-CYBMUJFWSA-N	305.164	1.077	50	20	DDGD	
NC(=O)NCCCCCC(=O)NNc1c(F)cc(F)cc1F	900714596	GGQJXOKVPNMIFC-UHFFFAOYSA-N	318.299	1.776	50	20	DDGD	
CON1CCC(N(C)C(=O)[C@]2(C)C[C@@H]2Br)CC1	909568276	AHNWJFPHJHGZON-CMPLNLGQSA-N	305.216	1.644	50	20	DDGD	
CON1CCC(=NNC(=O)c2cc([N+](=O)[O-])ccc2O)CC1	834960956	AXJAKRYKOBZYSS-UHFFFAOYSA-N	308.294	1.043	50	20	DDGD	
COc1cc(NCc2ccccc2B(O)O)ccc1OC(C)C	585036103	DVRLAAJOOHHDOX-UHFFFAOYSA-N	315.178	1.774	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)CCNC(=O)OC)cc1C	497210159	RSQUFWQJTXHABV-UHFFFAOYSA-N	323.349	1.361	50	20	DDGD	
CSc1ccc(CNCc2cccc(B(O)O)c2)cc1C	585028072	CVRIECDPLYJPQU-UHFFFAOYSA-N	301.220	1.687	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)NCC(F)(F)F)cc1C	907968456	WALBZJFNBKNOGI-UHFFFAOYSA-N	317.267	1.704	50	20	DDGD	
O=C(NC1CCCCC1)C1CCN(S(=O)(=O)CCl)CC1	830231839	ZRPGPLBOTBITFY-UHFFFAOYSA-N	322.858	1.673	50	20	DDGD	
Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc(B(O)O)c2)s1	584944414	PEFFBRTYZWWOAY-SNVBAGLBSA-N	318.207	1.273	50	20	DDGD	
CO[C@H]1COCC[C@H]1CNC(=O)NNc1ccc(Cl)nc1	838657206	CUGGRRGOAPMBCU-ONGXEEELSA-N	314.773	1.413	50	20	DDGD	
COC1CCC(NC(=O)NNC(=O)Cc2ccccc2F)CC1	838758433	OAIKYPPTQRXBBM-UHFFFAOYSA-N	323.368	1.656	50	20	DDGD	
CCOC(=O)c1sc(CNS(=O)(=O)CCl)nc1C	830799630	RJFUNSMVRKOSJF-UHFFFAOYSA-N	312.800	1.244	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)N[C@H]1CCC[C@@H]2C[C@H]12	838775112	BVNNGUQNJSJBMT-OSMZGAPFSA-N	305.353	1.887	50	20	DDGD	
COC(=O)c1cc(NNC(=O)N[C@@H](C)CN(C)C)ccc1F	838591555	JNWHSRSNPQULIR-VIFPVBQESA-N	312.345	1.189	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2ccccc2O)cc1F	730782112	HMEJOFQQUMCSBT-UHFFFAOYSA-N	318.304	1.680	50	20	DDGD	
CCC(C)(C)OCC(=O)NNC(=O)COc1ccccc1O	837403771	HCLVKEHWZWSOKM-UHFFFAOYSA-N	310.350	1.124	50	20	DDGD	
CCn1ncc(NC(=O)NNc2ccncn2)c1C(F)(F)F	836591934	NKUYDPJNBOGEIG-UHFFFAOYSA-N	315.259	1.860	50	20	DDGD	
C[C@@H]1CN(Cc2ccccc2)CCC1=NNC(=O)NCC(=O)O	833630853	XKXPLEZYOALERS-GFCCVEGCSA-N	318.377	1.268	50	20	DDGD	
CC(C)CN(Cc1cnn(C)c1)C(=O)NNC(=O)C(C)(C)C	836291628	GBVCJHMUOTVYLP-UHFFFAOYSA-N	309.414	1.665	50	20	DDGD	
C[C@]1(NS(=O)(=O)CBr)CCCC[C@H]1C(=O)O	833571467	ZVSRNOUOSAKXBC-CBAPKCEASA-N	314.201	1.292	50	20	DDGD	
Cc1ccc(S(=O)(=O)NCCCSC#N)c(Cl)n1	916985843	UOGJNSJEIQYFQE-UHFFFAOYSA-N	305.812	1.926	50	20	DDGD	
COCCN(CC(=O)NNC(=O)C1CC1)[C@H](C)c1ccccc1	733194643	FHLUTLVQUWHUJN-CYBMUJFWSA-N	319.405	1.253	50	20	DDGD	
CCCCC[C@@H](O)C(=O)NNc1ccc2c(=O)[nH]ccc2c1	831981913	NGEARIFKOJPSOX-CQSZACIVSA-N	303.362	1.912	50	20	DDGD	
COc1ccc(C)cc1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	831062340	JDBXPJFVJQIKLF-GHMZBOCLSA-N	307.350	1.581	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@@H](C)C2CCC2)c1	839483371	ZWNXRUBJDLZLLV-NSHDSACASA-N	305.378	1.691	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)COc2ccccc2F)cn1	918199945	JROQXRSUFKUVNT-UHFFFAOYSA-N	317.320	1.298	50	20	DDGD	
O=C(CC1(O)CCC1)NNC(=O)NCc1ccc(Cl)cc1	830768174	YEXKBYXKEXQVGQ-UHFFFAOYSA-N	311.769	1.476	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NO[C@@H](CO)C(C)C	836893861	DBGARAOYWHXTLN-NSHDSACASA-N	303.790	1.417	50	20	DDGD	
CCO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)Cc1ccccc1F	836662691	QBJBIHFYKYFRCW-ZIAGYGMSSA-N	323.368	1.656	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)C[C@@H]2CCOC2)c1	740176731	BHNZLRBCOZCTHQ-JTQLQIEISA-N	311.382	1.878	50	20	DDGD	
CN(Cc1ccon1)C(=O)NNC(=O)COCc1ccccc1	740058705	ZRBGXQIVOPZLLX-UHFFFAOYSA-N	318.333	1.064	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O	742034700	NZDZEDUWKZBYME-GFCCVEGCSA-N	323.780	1.496	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNC(=O)c2ccccc2F)c1	741882600	VMDGFEYIYQRYHU-UHFFFAOYSA-N	315.304	1.260	50	20	DDGD	
O=C(NN=C1CN2CCC1CC2)c1ccc2c(c1)OCCO2	915048828	KXVLALMSKYUPHK-UHFFFAOYSA-N	301.346	1.269	50	20	DDGD	
CC[C@H](C(=O)NNc1nnc(-c2ccccn2)s1)[C@H](C)O	842258195	OZEMLMLBEUABGX-IUCAKERBSA-N	307.379	1.450	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)c2cnc(C)nc2C)cc1	846378324	WSJXXEUKCJEJGB-UHFFFAOYSA-N	314.345	1.566	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)N3CC(F)C3)cc2C1	841575770	PSCDRWURULONSO-QMMMGPOBSA-N	311.382	1.881	50	20	DDGD	
CNS(=O)(=O)c1cccc(C(C)=NNC(=O)c2ccc[nH]2)c1	915957429	YCQBCQUAVXOFJF-UHFFFAOYSA-N	320.374	1.077	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCc1nc(-c2ccsc2)no1	910178474	XGTDSMXGWAHMBB-SECBINFHSA-N	310.379	1.075	50	20	DDGD	
C[C@@]1(C(=O)NNc2ncc(Cl)cn2)C[C@H]1Br	912826077	MMOPIOOKFRGZNX-HZGVNTEJSA-N	305.563	1.747	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@@H]1COCC[C@@H]1c1ccccc1	841412275	MOIMKYLIPIBCRU-ZIAGYGMSSA-N	316.336	1.879	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C	910168741	VIRWSOBQKHWCTL-NWDGAFQWSA-N	315.414	1.120	50	20	DDGD	
C/C(=C\c1ccc(C)cc1)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843656782	NLGAQVDRZSPWIN-ZYICGEMBSA-N	302.374	1.971	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1C	843646775	QYLZRWPGXSAXNR-KBPBESRZSA-N	320.389	1.645	50	20	DDGD	
CC[C@H](N)CNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	842007434	PPJJYSBCGRQVPN-ZDUSSCGKSA-N	306.410	1.665	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@@H](C)N2CCCCC2)n1	746757523	OEZPQWWLQJXISS-GFCCVEGCSA-N	322.413	1.294	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(-n2cccn2)cc1	843642965	BPEYNUNDIBXDDO-BXUZGUMPSA-N	314.345	1.058	50	20	DDGD	
O=C(NNC(=O)c1ccc(NC2CC2)nc1)NC1CCCCC1	919972598	UMPVTQZUFWGRSG-UHFFFAOYSA-N	317.393	1.933	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1ccc2c(c1)CCO2	748253418	NNHQFTPCYUJUFQ-LBPRGKRZSA-N	306.362	1.513	50	20	DDGD	
Cc1csc(C(=O)NN(C)C[C@@H](C)O)c1Br	910152774	OCFFGTCYKLXUME-SSDOTTSWSA-N	307.213	1.776	50	20	DDGD	
O=C(CCn1cc([N+](=O)[O-])cn1)NNc1ccc(Cl)nc1	743816052	JFQAOXIXUQMKPE-UHFFFAOYSA-N	310.701	1.373	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)Nc1cnn(CC(=O)O)c1	843333451	QBEWDULMDYLOIS-SECBINFHSA-N	318.171	1.716	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)C[C@H](C)OC)cc1OC	749564822	XXSOIKJDAKJGAB-NSHDSACASA-N	324.377	1.670	50	20	DDGD	
CO[C@]1(C=NNC(=O)Nc2ccc(C(=O)O)cc2)CCOC1	841625862	MDMRKTLFSRZWJP-AWEZNQCLSA-N	307.306	1.298	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cc(Cl)ccc1O)[C@H](C)O	842223801	FEIRZSIFKAOAPS-IONNQARKSA-N	300.742	1.214	50	20	DDGD	
CO[C@]1(C=NNC(=O)Cn2ccc3ccccc32)CCOC1	841624451	UOAASEWBXSPOLP-INIZCTEOSA-N	301.346	1.549	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1c[nH]c2ccc(C)cc12	748253888	UUOJGRWFVYSWTI-LBPRGKRZSA-N	303.362	1.978	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NC[C@@H](C)C1CC1	920054557	NQBKZDUHBMXNIR-LLVKDONJSA-N	305.378	1.614	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)NCC2(N)CCC2)cc1	841966687	FPWGIFIOYFHEEL-UHFFFAOYSA-N	318.421	1.810	50	20	DDGD	
COCCN(C[C@H](C)CBr)C[C@H](O)C(F)(F)F	847024323	IOFNOEDYCBVIPV-BDAKNGLRSA-N	322.165	1.889	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1cc[nH]c1CC	846630826	VXGZUPYNGFDGHA-UHFFFAOYSA-N	315.373	1.980	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)C1CC1)c1ccc(Br)s1	854239677	JSBAONUJRZXCDK-QMMMGPOBSA-N	319.180	1.043	50	20	DDGD	
CCCCN(C)c1ccc(NC(=O)NNC(=O)COC)cc1	756453966	BPIFCBBUVNMXKL-UHFFFAOYSA-N	308.382	1.722	50	20	DDGD	
COC1(C=NNC(=O)c2cccc(C(=O)O)c2)CCOCC1	853425443	FGCSUZSPDIVUFR-UHFFFAOYSA-N	306.318	1.296	50	20	DDGD	
CC(C)(C)OC(=O)[C@]1(C(=O)NNc2nc[nH]n2)C[C@H]2CC[C@H]1C2	857260917	BASMLQXNQGFODY-AMJWSMQMSA-N	321.381	1.396	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)Nc1ccc(C2CC2)nn1	856847821	VRTQLTGLBQVGIC-UHFFFAOYSA-N	305.729	1.946	50	20	DDGD	
Cc1ccccc1C[C@@H](C)C(=O)NNC(=O)Cc1cc[nH]n1	859251674	BIYOOLUSLRSBCC-GFCCVEGCSA-N	300.362	1.287	50	20	DDGD	
C[C@H](Sc1ccccn1)C(=O)NNC(=O)OCC(F)(F)F	856021168	ISSSIQFOUZYQGT-ZETCQYMHSA-N	323.296	1.882	50	20	DDGD	
Cc1nn(C(C)C)cc1C(=O)NNC(=S)N[C@H](C)C1CC1	855096607	YTQOJXBUXGRMLF-SECBINFHSA-N	309.439	1.680	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N[C@H]1Cc2cccc(O)c2C1	759726658	VLCUZTFFUGMJCT-AAEUAGOBSA-N	319.405	1.031	50	20	DDGD	
CC1CCN(C[C@@H](C)NC(=O)NNC(=O)C2CCCC2)CC1	852278968	IJPSJTSFDSKFPT-CYBMUJFWSA-N	310.442	1.627	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)Cc2csc(C)n2)c1C	755541855	LCGDUJBZWMXGHU-UHFFFAOYSA-N	305.407	1.978	50	20	DDGD	
CCOC(=O)CCCNC(=O)NNC(=O)c1cc(C)cs1	858116816	ZEHHYMLVMBNYLJ-UHFFFAOYSA-N	313.379	1.344	50	20	DDGD	
O=C(NCC1CCOCC1)NNc1ccc([N+](=O)[O-])cc1F	853582021	CJACOEJZAADVSJ-UHFFFAOYSA-N	312.301	1.787	50	20	DDGD	
CN(Cc1cn(C)nn1)C(=O)NC[C@@]1(C)C[C@@H]1Br	856893848	QTLIBPXRLDHPLK-GXSJLCMTSA-N	316.203	1.130	50	20	DDGD	
COc1ccccc1C(=O)C(=O)NNC(=O)OCC(F)(F)F	856023072	XCYVSRUKVSAJRR-UHFFFAOYSA-N	320.223	1.198	50	20	DDGD	
Cc1nc(NC(=O)NC[C@@]2(C)C[C@@H]2Br)nn1C	856868255	KWMOSKHLDBZXON-OIBJUYFYSA-N	302.176	1.419	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)C[C@@H]1CCS(=O)(=O)C1	928336162	CRTXNJYECIIKDP-JTQLQIEISA-N	316.810	1.916	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCc1nnc(-c2ccccc2)o1	854927980	LEUJMBAIVOCUMT-UHFFFAOYSA-N	319.390	1.137	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](C(=O)OC(C)(C)C)C1CCCC1	854410440	ZWVGQMXEWODMDO-LLVKDONJSA-N	314.382	1.864	50	20	DDGD	
CC(C)(C)c1ncc(/C=C\C(=O)NNC(=O)c2cc[nH]n2)s1	855357273	GQPUEFPVZIGEMR-PLNGDYQASA-N	319.390	1.638	50	20	DDGD	
COc1cccc2c1CN(C(=O)NNC(=O)C1CCCC1)C2	858392882	JFSDMVVGRAEUMC-UHFFFAOYSA-N	303.362	1.942	50	20	DDGD	
CC(C)C[C@@H](CO)NC(=O)NC[C@@]1(C)C[C@H]1Br	856894532	UJQJTYNGMWDBMR-HOSYDEDBSA-N	307.232	1.866	50	20	DDGD	
Cc1cc(NNC(=O)CS(=O)(=O)C2CC2)ccc1Cl	928339388	ZUXWJGSWZJVUIM-UHFFFAOYSA-N	302.783	1.669	50	20	DDGD	
Cc1c(C(=O)NNC(=S)NCC2CCC2)cnn1C(C)C	855089471	SGUNWNAVNLQPGY-UHFFFAOYSA-N	309.439	1.681	50	20	DDGD	
COc1cccc(-c2cc(C(=O)NNC(=O)C3CC3)on2)c1	858121851	MORKGDDWOUFHFQ-UHFFFAOYSA-N	301.302	1.521	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)c1ccnc(N2CCCC2)n1	856093094	QBELJYCEWQOYAP-UHFFFAOYSA-N	318.768	1.882	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1cnc2ccccc2n1	750936883	OGPSVWGFQNXBSC-UHFFFAOYSA-N	323.312	1.103	50	20	DDGD	
CC(C)n1ncc(C(=O)NC[C@]2(C)C[C@H]2Br)c1N	857394329	MFHYCVMPDGSQQB-SKDRFNHKSA-N	315.215	1.950	50	20	DDGD	
COCc1csc(C(=O)NNC(=S)NCC2CCC2)c1	855094286	ZTVXXQQUMWYSQL-UHFFFAOYSA-N	313.448	1.804	50	20	DDGD	
Cc1ccc(NNC(=O)NCC2CCN(CC3CC3)CC2)nn1	852708121	RDIYHIQZXAGNCD-UHFFFAOYSA-N	318.425	1.533	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2C)C1(C)C	753425312	NBYLWRSJIKWMPU-STQMWFEESA-N	305.378	1.753	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C[C@@H](C)c2ccc(F)cc2)n[nH]1	869012118	GQUKZQKZVFBBLZ-SNVBAGLBSA-N	318.352	1.741	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNC(=O)CC(C)C)c1C	861804970	WLECGADHJXMZOP-UHFFFAOYSA-N	307.350	1.136	50	20	DDGD	
C[C@H](c1ccccc1)[C@@H]1CCCN1CC(=O)NNC(=O)C1CC1	932277634	WGUSESHMIXOJEB-CJNGLKHVSA-N	315.417	1.812	50	20	DDGD	
COCCOCC(=O)NNC(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1	869912687	WOTCRDKCSUZCBM-WCQYABFASA-N	324.377	1.146	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(Br)cc1	863145678	DOGKTGYHPMRKFS-NSHDSACASA-N	324.178	1.568	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N[C@H](c1ccncc1)C1CC1	934697323	WNEVAZXVXIYWQI-LRDDRELGSA-N	318.421	1.704	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H]2CCCN(CC(F)(F)F)C2)cc[nH]1	862510580	LLYNZHORLCNKSZ-NSHDSACASA-N	316.327	1.529	50	20	DDGD	
O=C(NNc1ccc(F)cc1)c1cncc(N2CCCC2)n1	864719328	HQIAMLKRHQXLPH-UHFFFAOYSA-N	301.325	1.973	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2ccc(CSC(F)F)o2)N1	863147109	YOVJPQGNUIQEFM-VIFPVBQESA-N	317.317	1.464	50	20	DDGD	
O=C(NNC(=O)C1(c2cccc(Cl)c2)CCC1)c1cn[nH]c1	862473069	CWDPXAVRVZVVDQ-UHFFFAOYSA-N	318.764	1.946	50	20	DDGD	
CCC(=O)N1CCC[C@@H](C(=O)NNc2nc3ccccc3[nH]2)C1	768496445	RSHDUGQHQHIXPT-LLVKDONJSA-N	315.377	1.655	50	20	DDGD	
COCCCC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(F)cc1	863152037	CMJUDNQYYXLFIC-AWEZNQCLSA-N	321.352	1.351	50	20	DDGD	
C[C@@H](NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(F)(F)F	862306261	HUANZULSSUIZDJ-RXMQYKEDSA-N	322.199	1.688	50	20	DDGD	
C[C@@H](NNC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)C(F)(F)F	862306560	BPQPDMAHLJKXRE-ZJUUUORDSA-N	321.343	1.739	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1CCC(=NNC(=O)c2cn[nH]c2)C1	863152333	PJTIRJHZEOCPCU-JTQLQIEISA-N	307.354	1.573	50	20	DDGD	
O=C(COC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)N1CCC1	869462091	PHUHTMHQDCBVMD-OPQQBVKSSA-N	316.195	1.716	50	20	DDGD	
Cc1ccnc(O)c1C(=O)NNC(=O)c1ccc2ccccc2n1	1116501707	GNMJJSBGYSEWOV-UHFFFAOYSA-N	322.324	1.719	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1	763518211	QUTICXFPVKQKGW-UHFFFAOYSA-N	321.667	1.047	50	20	DDGD	
CC(C)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)C2CCNCC2)C1	1118026150	ARMRMLPBZIMGOC-ZIAGYGMSSA-N	310.442	1.531	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NN=C2CCOC(C)(C)C2)c1	872358759	XPDJYXSSTWLDKP-UHFFFAOYSA-N	304.350	1.715	50	20	DDGD	
CCn1nc(C(=O)NN=C2CC[C@@H]3C[C@H]23)c2ccccc2c1=O	872332924	WKNYBCSALQYVJM-MFKMUULPSA-N	310.357	1.932	50	20	DDGD	
Cc1nc2ccc(S(=O)(=O)NNC(=O)C3CCC3)cc2o1	1116748364	NWFXMYJKNIBKCW-UHFFFAOYSA-N	309.347	1.246	50	20	DDGD	
CCN(CC(=O)O)C(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	776619839	ZBHAHFKMGFMRDJ-YGOYTEALSA-N	304.184	1.873	50	20	DDGD	
CC(C)C(NC(=O)NNC(=O)COc1ccccc1O)C(C)C	770419342	ZFRJLOMNZUVIEJ-UHFFFAOYSA-N	323.393	1.782	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCCOc1cccc(C)c1C	875544398	YQMMIAPBWQXULC-UHFFFAOYSA-N	309.366	1.985	50	20	DDGD	
COc1ccc(O)c(C=NNC(=O)c2sc(N)nc2C)c1	874105467	DHAYZLSPJLNAGU-UHFFFAOYSA-N	306.347	1.512	50	20	DDGD	
COc1ncc(/C=C/C(=O)NNc2cc(Cl)ccn2)cn1	775896684	XTVXTSPVAGIGSA-NSCUHMNNSA-N	305.725	1.690	50	20	DDGD	
CCN(CC1CC1)C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1118821088	YQYDOJJZZWAGFE-GWCFXTLKSA-N	317.227	1.535	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc(-c2ccc(F)cc2)o1	779815871	CRLMBIGFHLCSSP-UHFFFAOYSA-N	319.292	1.892	50	20	DDGD	
CC(C)(CO)C(=O)NNC(=S)Nc1cccc(Cl)c1	873786679	DAKWIBSLSBLGPT-UHFFFAOYSA-N	301.799	1.676	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)CCOC(C)C)cn1	874953657	GROLRSHRQSFRFH-UHFFFAOYSA-N	312.395	1.223	50	20	DDGD	
C[C@@H](CNC(=O)NNc1cccc(F)c1Cl)S(C)(=O)=O	875422109	XIDNHHQSNURWAA-ZETCQYMHSA-N	323.777	1.538	50	20	DDGD	
O=C(C[C@@H]1CCS(=O)(=O)C1)NNc1cc(Cl)ccc1F	871272041	IMDKJWQZSWVULE-QMMMGPOBSA-N	320.773	1.747	50	20	DDGD	
O=C(NCCOc1ccc2c(c1)CCC2)NNc1ccncn1	1117836422	OEPKWTRAGDLBOB-UHFFFAOYSA-N	313.361	1.670	50	20	DDGD	
COCCN(C)NC(=O)Nc1cnc(C(=O)OC)c(Cl)c1	879969827	FTPNBFDQPSFFSZ-UHFFFAOYSA-N	316.745	1.136	50	20	DDGD	
C[C@H]1CCCC[C@H]1OCC(=O)NNC(=S)Nc1ccccn1	874956716	MLOBKMZBAAGQOM-NWDGAFQWSA-N	322.434	1.995	50	20	DDGD	
CO[C@]1(C(=O)NNC(=O)c2ccccc2Cl)CCSC1	1119515602	IEEYYZQCKDRPNJ-CYBMUJFWSA-N	314.794	1.623	50	20	DDGD	
O=C(NN=C1CCCc2ccc(F)cc21)[C@@H]1CCS(=O)(=O)C1	776186462	SGKIPZMPQATXDK-LLVKDONJSA-N	324.377	1.417	50	20	DDGD	
C[C@H](C#N)CNC(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	770800423	ZEUXLCRTZKUWSQ-ZJUUUORDSA-N	324.768	1.597	50	20	DDGD	
CSc1ccccc1CC(=O)NNc1nccn(C)c1=O	777523559	NQLCLTOYFHACQN-UHFFFAOYSA-N	304.375	1.188	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)c1ccc(-n2ccnc2)nn1	778446402	BMVXVKVJQVVVDC-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cn(C2CC2)c(C)cc1=O	887148161	QRWBLFRRCNSNGX-UHFFFAOYSA-N	301.346	1.056	50	20	DDGD	
CCNC(=O)N(C)N=Cc1ccc(N2CCN(C)CC2)cc1	771557753	LUUVCHHYYVCWPE-UHFFFAOYSA-N	303.410	1.434	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)COc1ccc(OC)cc1	770589993	DOJJWCGVZWHQFN-UHFFFAOYSA-N	316.361	1.520	50	20	DDGD	
C[C@H](C1CC1)n1cc(NC(=O)C(=O)NNc2ccccc2)cn1	778693474	OAAWUFXVHPMZOK-LLVKDONJSA-N	313.361	1.936	50	20	DDGD	
C=CCC[C@@H](NCC(=O)NNC(=O)C1CC1)c1ccccc1	775465362	XDVGTITUOFRRFO-OAHLLOKOSA-N	301.390	1.841	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(-n2cncn2)c(C)c1	887144320	JMFRSLKJIWSJBC-UHFFFAOYSA-N	311.345	1.140	50	20	DDGD	
C[C@@H](CNS(=O)(=O)CCCCl)N1CCc2ccccc21	881780782	CZFAYCTUSLWRNS-LBPRGKRZSA-N	316.854	1.986	50	20	DDGD	
C[C@@H]1CC[C@@H](NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	780789247	MSFHNBRSSGWFNW-MWLCHTKSSA-N	306.322	1.727	50	20	DDGD	
O=C(NNc1ccccc1F)C(=O)Nc1nc2c(s1)CCC2	789746358	JXGAZPZVANFTEJ-UHFFFAOYSA-N	320.349	1.853	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ccc(C(N)=O)s1	780731936	QHDLBVFXQYHKLN-UHFFFAOYSA-N	319.342	1.391	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C	781063772	MCVZJIHCOZBKJK-NSHDSACASA-N	312.414	1.106	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(C(C)C)nn1-c1ncccn1	789253959	OGXYOUZNZMHWGE-UHFFFAOYSA-N	317.353	1.348	50	20	DDGD	
CC(C)[C@H](F)C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	784146531	SUUUQJFPKOCBBJ-ZDUSSCGKSA-N	304.325	1.832	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H]1CCO[C@@H](c2ccccn2)C1	882242397	NLXWDTRBAYCROG-DGCLKSJQSA-N	318.826	1.850	50	20	DDGD	
Cn1nc([C@H]2CCCO2)cc1NC(=O)NNC(=O)C1CCCC1	788723514	ADZCGFHJEVBZSD-GFCCVEGCSA-N	321.381	1.615	50	20	DDGD	
CSCCCCCCNC(=S)NNC(=O)NC(C)C	782199177	ZKDANCRDEJEASE-UHFFFAOYSA-N	306.501	1.997	50	20	DDGD	
O=C1Cc2ccccc2N1CCNS(=O)(=O)CCCCl	881850833	HMTXQAYZIFDUIK-UHFFFAOYSA-N	316.810	1.124	50	20	DDGD	
Cc1cc(O)cc(=O)n1CCC(=O)NNc1cccnc1Cl	783901532	ZNZOLAOJPWADGD-UHFFFAOYSA-N	322.752	1.444	50	20	DDGD	
CC(C)(O)C(=O)NN=CC(C)(C)[C@@H](C[N+](=O)[O-])c1ccccc1	785457784	GNRFASXWGRCPHD-ZDUSSCGKSA-N	321.377	1.946	50	20	DDGD	
COc1ncc(C(C)=NNC(=O)C(=O)N2CCCC2)cc1Cl	789001468	ZYKOTWXQQZYFAN-UHFFFAOYSA-N	324.768	1.206	50	20	DDGD	
Cc1cc(F)cc(-n2cc(C(=O)NNC(=O)CC(C)C)nn2)c1	788735797	REPFGSMTEDDPQV-UHFFFAOYSA-N	319.340	1.522	50	20	DDGD	
Cc1nc(NC(=O)NNc2ccc(-n3ccnc3)nn2)oc1C	796655386	NASHQBLTYNQJHF-UHFFFAOYSA-N	314.309	1.416	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNC(=O)c1cccc(OC(F)F)c1	796126930	SPTOKNJDQPQSFT-AWEZNQCLSA-N	311.288	1.989	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H](O)Cc1ccccc1	793705868	RLOGZMKYAKKKOO-AWEZNQCLSA-N	301.302	1.642	50	20	DDGD	
C[S@](=O)C1(CNC(=O)[C@@H](Br)C(C)(C)C)CC1	799774607	DZDWPWYEDQGYAX-BCTVWOGZSA-N	310.257	1.823	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2ccc(C)c(O)c2)c1	791344379	GGCQEROISUSQIM-UHFFFAOYSA-N	314.341	1.849	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)COc1cc(C)cc(C)c1	792796685	IESSLLQCUSVRGD-XJKSGUPXSA-N	322.405	1.891	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)COC(F)F)c1	794613386	NKXXVYOPKPYJPT-UHFFFAOYSA-N	302.277	1.069	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)COc1ccc(C)cc1	792811574	GNPWVIZMACKELR-SWLSCSKDSA-N	308.378	1.582	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C1(c2ccccc2OC)CCC1	1319941641	LLSOLYGNSYGEDS-UHFFFAOYSA-N	305.378	1.809	50	20	DDGD	
Cc1nnccc1C(=O)NNc1cncc(Br)c1	1319748199	IYDGMTRVGPZRJN-UHFFFAOYSA-N	308.139	1.699	50	20	DDGD	
Cc1nn(C)cc1CCC(=O)NNC(=O)Cc1ccc(F)cc1	1318515173	WOHJRAJSRKIGHV-UHFFFAOYSA-N	318.352	1.190	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)[C@H]1CCCCCN1	1327196956	ZMZWWGQFCQFRRR-LLVKDONJSA-N	302.338	1.107	50	20	DDGD	
CC(=O)OC[C@H](CO)NC(=O)CCCC[C@@H]1CCSS1	1339634980	IUKYMXJZOOSLNR-NWDGAFQWSA-N	321.464	1.741	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)NC2CCCCC2)C[C@H]1Br	1334674158	UJXSSGJSBGOXKI-MFKMUULPSA-N	317.227	1.725	50	20	DDGD	
CN[C@@H](C)CCNC(=O)NNC(=O)CSc1ccc(C)cc1	1331466876	QWVIQYLVJKRYPA-LBPRGKRZSA-N	324.450	1.416	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)nn1	1338784781	FTILGONVECULEC-GHMZBOCLSA-N	319.409	1.509	50	20	DDGD	
O=C(CSCc1cccs1)NNC(=O)C1CCOCC1	1333150352	XYUBJHQDHVSJIO-UHFFFAOYSA-N	314.432	1.555	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NC[C@H]1CCCCN1C	1342869135	LJRDUIQUDIGTCT-OAHLLOKOSA-N	318.421	1.352	50	20	DDGD	
COC(=O)C(=O)NNC(=O)NC[C@@H]1CCC[C@@H]1c1ccccc1	1344568502	SAEKSPCUFVURBV-QWHCGFSZSA-N	319.361	1.074	50	20	DDGD	
COC(=O)CN1CCN(C(=O)C2CCC(Cl)CC2)CC1	1528572513	IVSLGVNCCYCPCW-UHFFFAOYSA-N	302.802	1.101	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccn1)c1cc(C(=O)O)on1	1601554214	QQKANVGXSCBHTO-UHFFFAOYSA-N	316.195	1.544	50	20	DDGD	
C[C@](C#N)(CC(=O)O)C(=O)OC[C@H](CBr)C1CC1	1602781523	BABZRFYJWNMFGU-JOYOIKCWSA-N	318.167	1.955	50	20	DDGD	
CN1CCCC[C@@H]1CNC(=O)NNc1ccc(F)c(C(=O)O)c1	1606224473	JLYPTWURCGUJMA-LLVKDONJSA-N	324.356	1.634	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NC[C@H]1[C@@H](C(=O)O)C1(F)F	1601046473	ZMPHGFVUNYKLPC-DRXGGPSDSA-N	324.258	1.815	50	20	DDGD	
C[C@H]1CCN(CCNC(=O)NNc2ccc(CC(=O)O)cc2)C1	1604752505	WFNLTJGNERMRDX-LBPRGKRZSA-N	320.393	1.282	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)N[C@H]1CCO[C@H](C2CC2)C1	1608483279	MCRUWWLVMISURN-JSGCOSHPSA-N	319.361	1.969	50	20	DDGD	
O=C(COCc1ccccc1)NN=Cc1cc(C(=O)O)no1	1608348779	DTCLTZBLBKLLSK-UHFFFAOYSA-N	303.274	1.040	50	20	DDGD	
CN(C)C1(CNC(=O)NNc2ccc(C(=O)O)c(F)c2)CCC1	1606015828	VYJIOZRIBZARLY-UHFFFAOYSA-N	324.356	1.634	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)NN=C1COCC1(C)C	1549312254	BAYXSPVRTOFRQR-SMDDNHRTSA-N	320.393	1.416	50	20	DDGD	
Cc1oc(C(C)C)nc1C(=O)NNc1ccc(C(=O)O)cn1	1610580769	HNDFUSHZUKSLHF-UHFFFAOYSA-N	304.306	1.957	50	20	DDGD	
CO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Cl)C2	1802384574	HZPHOOPEDMVRAB-QUARPLMYSA-N	306.765	1.194	50	20	DDGD	
O=C(NN=C1CCc2cc(F)ccc21)[C@H]1CN2CCC[C@@H]2CO1	1549315948	DEUNHDDIMIPBOP-CZUORRHYSA-N	317.364	1.455	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2CC[C@H](C3CC3)N2)cccc1[N+](=O)[O-]	1579541251	NJEHNUVSWYCAEH-OLZOCXBDSA-N	304.350	1.877	50	20	DDGD	
C[C@@H]1NCC[C@H]1C(=O)NNC(=O)c1cc2c(s1)CCCCC2	1576885299	DDYOHKRZDIXGIL-CMPLNLGQSA-N	321.446	1.776	50	20	DDGD	
CC[C@@]1(C(=O)NNC(=O)c2nc3ccccc3s2)CCCN1	1577198159	FVQPJTWFMULQPU-HNNXBMFYSA-N	318.402	1.590	50	20	DDGD	
CO[C@H]1CN[C@@](C)(C(=O)NNc2ccc(C#N)c(Cl)c2)C1	1578948804	OZADSXXJFXPRJM-BXUZGUMPSA-N	308.769	1.422	50	20	DDGD	
CCc1cc(NNC(=O)C2(N)CCC2)nc(-c2ccccn2)n1	1578249112	NQUSGVKLVHTGKP-UHFFFAOYSA-N	312.377	1.426	50	20	DDGD	
CC(C)(CCl)C(=O)N1CC2(CCCN2C(=O)[C@H]2C[C@@H]2F)C1	1845902432	RBMHYBLLNGXWED-QWRGUYRKSA-N	316.804	1.813	50	20	DDGD	
CN(c1cccc(-c2nn[nH]n2)c1)S(=O)(=O)CCCCl	1591158145	AERDNYSISPOWQH-UHFFFAOYSA-N	315.786	1.262	50	20	DDGD	
CCC[C@@H](NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C)C(=O)O	1595987879	RVHCKVSOBBKTKW-TZWLIRKLSA-N	314.345	1.482	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@]1(C(=O)O)C[C@H]1c1ccccc1	1590232644	JMWDLNTWADBMCM-MEDUHNTESA-N	320.345	1.801	50	20	DDGD	
Cc1ccc(F)cc1C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1592174138	MMJWBDLHILXZRB-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=Cc2cc(C(=O)O)cn2C)c1	1776018623	JWJDDSCNDMIVMD-UHFFFAOYSA-N	314.345	1.553	50	20	DDGD	
O=C(NCC1CC1)NN=Cc1c(C(=O)O)ccc2c1OCO2	1776039367	NWLMAVJQPVKUSM-UHFFFAOYSA-N	305.290	1.157	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc(=O)c2ccccc2o1	14894686	MZOJOWWYCYDKCH-UHFFFAOYSA-N	319.386	1.700	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1c(C)nc2ccccn12	17581140	IQHXIQXOBUFGPU-UHFFFAOYSA-N	324.340	1.726	50	20	DDGD	
C[C@H](NC(=O)C(C)(C)C)C(=O)NNc1ccc([N+](=O)[O-])cc1	150873133	PSIGQDZKYRYOJE-VIFPVBQESA-N	308.338	1.589	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2ccc[nH]2)cnn1CC(C)C	160200551	BSLVWXHUCJFERA-UHFFFAOYSA-N	303.366	1.504	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	151719273	GZSXHQRMMSMYET-UHFFFAOYSA-N	316.361	1.306	50	20	DDGD	
N#Cc1cccc(NNC(=O)CN2C(=O)CCc3ccccc32)c1	152348784	YLZCBXHCMZVXJA-UHFFFAOYSA-N	320.352	1.981	50	20	DDGD	
Cn1ccc2c(C(=O)NNc3ncnc4nc[nH]c34)cccc21	156277288	PJNROMDCFHCGLB-UHFFFAOYSA-N	307.317	1.602	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2cc(F)cc(OC)c2)c1	156692805	QPZAKSIGDDKZHV-UHFFFAOYSA-N	317.320	1.951	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2	154795771	MGCXDYHQAHOGAY-MCIONIFRSA-N	303.362	1.270	50	20	DDGD	
O=S(=O)(CCCCl)N1CCN(c2ccccc2F)CC1	36881632	AGNJCKGFNIPXQL-UHFFFAOYSA-N	320.817	1.906	50	20	DDGD	
CC(CCN1C(=O)c2ccccc2C1=O)=NNC(=O)C(C)C	730947048	AEEVNXGPPOQTPH-UHFFFAOYSA-N	301.346	1.821	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCC(=O)c1cccs1	109858830	KTDAKODQHPVXSK-UHFFFAOYSA-N	306.347	1.204	50	20	DDGD	
N#CC(C#N)=CNNC(=O)c1cc(F)ccc1Br	103057549	QGFNTHYRBHFLBT-UHFFFAOYSA-N	309.098	1.754	50	20	DDGD	
C[C@@H](CNC(=O)NNc1cccc([N+](=O)[O-])c1)N(C)C1CC1	105266168	NINWKFKLCLZIMZ-JTQLQIEISA-N	307.354	1.704	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)[C@@H]1CCCOC1	171295144	UNYIHYNTXIMWCT-MRXNPFEDSA-N	312.369	1.956	50	20	DDGD	
CCOc1ccc(CCC(=O)NNC(=O)c2c[nH]nc2C)cc1	109858088	UTGZZVUJFPETMI-UHFFFAOYSA-N	316.361	1.511	50	20	DDGD	
CCCCOCC(=O)NNC(=O)CCc1ccc(OC)cc1	118215619	ZQIMPMPIYCUEGU-UHFFFAOYSA-N	308.378	1.592	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	65191506	CGUGRKJKQAWNCC-UHFFFAOYSA-N	321.337	1.159	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCCn1cccn1)c1ccccc1	114971704	XTLRTASUALVRIU-CQSZACIVSA-N	315.377	1.407	50	20	DDGD	
CN(C)C(=O)c1ccc(C(=O)NNC(=O)CC2CCCC2)cc1	170856596	NXADNGGZEOEMAA-UHFFFAOYSA-N	317.389	1.730	50	20	DDGD	
O=C(/C=C/c1nc2ccccc2s1)NNC(=O)NC1CC1	68266786	RHHFERQOOVBSGE-BQYQJAHWSA-N	302.359	1.802	50	20	DDGD	
CC(C)(C)c1noc(CCCC(=O)NNc2cnccn2)n1	114878167	LWYSCFYNXAKKTG-UHFFFAOYSA-N	304.354	1.623	50	20	DDGD	
CN(C)C(=O)CCCC(=O)NNC(=O)c1cc2ccccc2o1	177749552	NWEPMJPHMAULAI-UHFFFAOYSA-N	317.345	1.452	50	20	DDGD	
O=C(CN1CCCCCC1=O)NNc1cc(F)c(F)cc1F	172086894	GHJWCLZLMWSRTE-UHFFFAOYSA-N	315.295	1.950	50	20	DDGD	
COc1c(C)cc(C(=O)NNC(=O)c2cnn(C)c2)cc1C	179933826	GEGUABVFPHAAEM-UHFFFAOYSA-N	302.334	1.120	50	20	DDGD	
CCc1ccccc1NC(=O)C(=O)NNC(=O)CC(C)(C)C	126143189	FOJWJEGPYMHPQX-UHFFFAOYSA-N	305.378	1.771	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H](C)Oc1ccccc1F)N(C)C	126303370	IWJLTXJQRBADQV-CMPLNLGQSA-N	311.357	1.081	50	20	DDGD	
CCCN(C)c1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1	186130798	QQXISILQTHELNA-UHFFFAOYSA-N	315.377	1.260	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)COCC2CC2)c1	77925168	AXYLCUJEFUCUCW-UHFFFAOYSA-N	306.362	1.256	50	20	DDGD	
CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NNc1nc2ccccn2n1	189242590	QDOVREXVISDNOG-JLLWLGSASA-N	316.365	1.169	50	20	DDGD	
CC[C@]1(C)CN(C(=O)NNC(=O)c2ccc(C)s2)CCO1	187905143	XXNVBVMGZGXWLA-CQSZACIVSA-N	311.407	1.912	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](C(C)C)N(C)C)c([N+](=O)[O-])c1	122666712	CHGCHFWOGUZDPK-CYBMUJFWSA-N	310.354	1.633	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NC1Cc2ccccc2C1	186676261	LKEOJIFFYFYDCU-UHFFFAOYSA-N	310.357	1.122	50	20	DDGD	
CCC(CC)n1nc(C)cc1C(=O)NNC(=O)c1cnn(C)c1	180885698	LMVPFDNUVJAKJG-UHFFFAOYSA-N	318.381	1.361	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(c2nc(C)c(C)s2)CC1	126390645	VDBZGNUOOZEOST-RAXLEYEMSA-N	320.418	1.853	50	20	DDGD	
CCOC(=O)NNC(=O)c1cn(-c2cccc(Cl)c2)nn1	186996800	PZNWUOCJVWFFDT-UHFFFAOYSA-N	309.713	1.312	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2COc3cc(C)c(C)cc32)[nH]n1	184977567	UYHOENJYFBDRLL-LBPRGKRZSA-N	314.345	1.272	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1ccncc1F	131010244	WFQWDYLCBTUABE-UHFFFAOYSA-N	323.711	1.958	50	20	DDGD	
Cc1nn(C)c(C)c1CCC(=O)NNC(=S)N[C@H](C)C1CC1	83677286	KHDNZYSTEMSMLY-SECBINFHSA-N	323.466	1.263	50	20	DDGD	
Cc1nn(C)cc1CCC(=O)NNc1ncnc2ccsc12	132482163	PJDZOXPPFKSUKT-UHFFFAOYSA-N	316.390	1.809	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc3[nH]nnc3c2)c(O)c1	80387749	UBKLUWUAFCAQKO-UHFFFAOYSA-N	311.301	1.047	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)CC1CCCC1	195208258	UVJQYJAYFGJUDX-CYBMUJFWSA-N	309.410	1.505	50	20	DDGD	
CN1CCO[C@@H](C(=O)NNc2ccccc2OC(F)(F)F)C1	190193765	RUNFIYQXAAMHGV-LLVKDONJSA-N	319.283	1.359	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc(C#N)c1)c1nnc2ccccn12	45252641	ADQISZXSKCXDHP-LLVKDONJSA-N	321.344	1.988	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1)C1CC1	81107019	URFNWRHIYBROKV-AWEZNQCLSA-N	305.353	1.348	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn(C)c2C2CC2)s1	141284670	VAOLOIBMBSOUQX-UHFFFAOYSA-N	304.375	1.742	50	20	DDGD	
COCc1nc(C(=O)NNC(=S)N[C@H](C)C2CC2)cs1	83679006	WTKVHXKWGFOMFJ-SSDOTTSWSA-N	314.436	1.197	50	20	DDGD	
CSC1(C(=O)NNC(=O)c2c(C)nc3ccccn23)CC1	190026701	PBHGNFPAFYJVPT-UHFFFAOYSA-N	304.375	1.299	50	20	DDGD	
CC1=NN(c2ccc(C(=O)NNC(=O)c3ccc[nH]3)cc2)CC1	97405945	UGNXYLHONIPIOM-UHFFFAOYSA-N	311.345	1.676	50	20	DDGD	
CC(C)(C)OC(=O)CCNC(=O)NNC(=O)c1ccccc1O	266874885	QVXOLTLVPSXGCX-UHFFFAOYSA-N	323.349	1.068	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNc1cccc([N+](=O)[O-])c1	269613745	NFVFHSFEULMYBJ-UHFFFAOYSA-N	310.310	1.563	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1c(C)nc(C2CC2)nc1SC	272919733	DYOVBTPUHMCBMV-UHFFFAOYSA-N	323.422	1.690	50	20	DDGD	
CS(=O)(=O)c1ccccc1NC(=O)NNC(=O)C1CCC1	272793985	GOLAPPVBSDAKED-UHFFFAOYSA-N	311.363	1.043	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCc1cn(C)c2ccccc12	272669409	KCWXBUWCGWABPT-UHFFFAOYSA-N	302.378	1.803	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CSCCS2)c1	272850558	SAKVMHBNDQMFBT-NSHDSACASA-N	312.416	1.765	50	20	DDGD	
C=CCCOCCNC(=O)NNC(=O)Cc1ccccc1OC	270175201	DBRFQSAUAKQHPL-UHFFFAOYSA-N	321.377	1.161	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@H](O)C(C)(C)C1	275784672	GQMALOGDJFZRFH-LBPRGKRZSA-N	313.829	1.972	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Cc1cccc(OCC#N)c1	270430735	BIRYYSFZTXRXPU-UHFFFAOYSA-N	305.334	1.687	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNc2nc3ccccn3n2)C1(C)C	276895600	YVTQMETUQXJAHM-NEPJUHHUSA-N	315.377	1.814	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H](CO)CC(C)(C)C)n1	279733877	WJYBMMNJTIULKO-NSHDSACASA-N	308.382	1.131	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1C(=O)NNc1nccc(N(CC)CC)n1	278485201	GJJFALWQDDGKJP-TZMCWYRMSA-N	319.409	1.747	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnn(CC)c1-c1ccccc1	277009902	DSJBPKVDWOACHK-UHFFFAOYSA-N	315.377	1.876	50	20	DDGD	
CCCOc1cc(F)ccc1NC(=O)C(=O)NNC(=O)C1CC1	274029041	GSLFURCNNXRPBG-UHFFFAOYSA-N	323.324	1.110	50	20	DDGD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)Cc1ccc(F)cc1	280368015	VFDGVKIEDUMLLX-PWSUYJOCSA-N	306.337	1.521	50	20	DDGD	
CCn1c(NNC(=O)[C@@](C)(O)C2CC2)nc2ccccc2c1=O	286392957	QUCXZYIZXMJOOJ-INIZCTEOSA-N	316.361	1.021	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccnc1OCC(C)C	281309314	RZCUSPNUUYXFAF-UHFFFAOYSA-N	308.407	1.411	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2occ3c2CCOC3)c1	376049284	AIAIVDZUTQVVQV-UHFFFAOYSA-N	316.313	1.896	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	280941650	IVYZRYYCUGRYKL-MEBBXXQBSA-N	312.341	1.556	50	20	DDGD	
CC(=O)N1CCC[C@H](CNC(=O)NN(C)c2ccccc2)C1	280644277	RNDCMWOVCXTGDW-CQSZACIVSA-N	304.394	1.596	50	20	DDGD	
COCCCn1nccc1/C=C(\C#N)C(=O)[C@@H]1CCCOC1	282706581	UGNRCIYWMJXFKB-PCRWRXJSSA-N	303.362	1.822	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ncsc2C(C)C)n1	289600641	SVTCPLYXOLLDER-UHFFFAOYSA-N	321.406	1.541	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(-n2ccnc2S)cc1	288546648	YIADCCGUUBROQK-UHFFFAOYSA-N	306.391	1.384	50	20	DDGD	
Cc1c([C@H]2OCC[C@@H]2C(=O)NNc2ncccc2F)cnn1C	285935544	JYKSJIPYQZXUBC-GWCFXTLKSA-N	319.340	1.484	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccc3cncn3c2)c1	803083673	HUZHXFBBLHYTJY-UHFFFAOYSA-N	310.313	1.878	50	20	DDGD	
CCCCN(C)C[C@H](C)NC(=O)NNC(=O)Cc1ccncc1	291020477	WAZIOJNHOPEBRJ-ZDUSSCGKSA-N	321.425	1.075	50	20	DDGD	
Cc1ccc(OCCCNC(=O)NNc2ccncn2)cc1	296411618	RKAAITBBCCFSKL-UHFFFAOYSA-N	301.350	1.880	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNC(=O)CC(C)C)ccc1F	806974481	CBEKDIPYVNLUKM-UHFFFAOYSA-N	309.341	1.520	50	20	DDGD	
CC[C@H]1CC[C@H](C)N1CC(=O)NNC(=O)c1ccc(F)cc1	299623367	JOBGIWCPXIFWBX-FZMZJTMJSA-N	307.369	1.850	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C1(c2ccccc2)CC(=O)C1	809972527	WQEUURSBOCFSMF-UHFFFAOYSA-N	311.341	1.087	50	20	DDGD	
COCc1ncc(C(=O)NNc2nc3ccccn3n2)s1	803187414	YVWIDCCRNDQPAM-UHFFFAOYSA-N	304.335	1.089	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(NC(=O)C(C)(C)C)nc1	294592169	ULKZOMZHIXCSQA-UHFFFAOYSA-N	320.393	1.873	50	20	DDGD	
C[C@@H]1CSC[C@@H]1NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	807475612	IEVYVVHHZVCJDN-KCJUWKMLSA-N	324.362	1.290	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNC(=O)c1ccc(CC)cc1	805151482	UZDIDAAPURZGLI-UHFFFAOYSA-N	320.389	1.989	50	20	DDGD	
CCC[C@H](C)CC(=O)NNC(=O)CNC(=O)c1cccs1	299589332	BPCLWKXEUVMPIU-JTQLQIEISA-N	311.407	1.452	50	20	DDGD	
CC(C)NC(=O)/C(C#N)=C/c1cccc(OCCC(=O)O)c1	299330850	OZNWKKZXLGKLBF-MDWZMJQESA-N	302.330	1.972	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)COCc2cccnc2)n1	806932454	ANXFWSVHHUUDKU-UHFFFAOYSA-N	307.741	1.493	50	20	DDGD	
Cc1nn(CC(C)C)c(C)c1CCC(=O)NNc1nc[nH]n1	816632101	TUTNMFOBLYCRRE-UHFFFAOYSA-N	305.386	1.350	50	20	DDGD	
CC(C)[C@@H](NS(=O)(=O)CBr)C1(CO)CCC1	813720854	KBTOGSRSNXNDOD-SECBINFHSA-N	314.245	1.445	50	20	DDGD	
CCN1CCO[C@@H](C(=O)NNc2cc(Cl)nc(Cl)c2)C1	819743611	SNABZXYLPRYJJS-SECBINFHSA-N	319.192	1.552	50	20	DDGD	
CN(NC(=O)CS(=O)(=O)CCCc1ccccc1)C1CC1	819647566	PDKDQGPABCEISM-UHFFFAOYSA-N	310.419	1.159	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H]1CCN(c2ccccc2F)C1	810586579	FBASRYCCYJULSA-LLVKDONJSA-N	308.357	1.392	50	20	DDGD	
CNc1nc(C)cc(C(=O)NNc2ccc(F)cc2OC)n1	816337886	MBEALYMWSMHECZ-UHFFFAOYSA-N	305.313	1.731	50	20	DDGD	
Cc1cccc(C=NNC(=O)CNC(=O)c2cccs2)c1O	814827561	OZIXQWGSUVLCTJ-UHFFFAOYSA-N	317.370	1.642	50	20	DDGD	
CCOc1ccc(N2C[C@@H](C(=O)NN(C)C3CC3)CC2=O)cc1	819641330	RLVSZOSFVREZFK-LBPRGKRZSA-N	317.389	1.564	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNC(=O)c2ccc(C)o2)nc1	815769606	MIPDQOFFRCWDFE-UHFFFAOYSA-N	317.301	1.235	50	20	DDGD	
Cn1nc(NC(=O)NNc2ncncc2Cl)cc1C1CC1	810277577	NONMLUJCDYRQCN-UHFFFAOYSA-N	307.745	1.890	50	20	DDGD	
NC(=O)C(=O)NN=C1CC(c2ccc(Br)cc2)C1	814695795	RIGFUNFUMUXPGJ-UHFFFAOYSA-N	310.151	1.284	50	20	DDGD	
O=C(NN=C1CCN(CCO)CC1)c1cccc2ncccc12	819808009	OWPZGLNAJXTQGZ-UHFFFAOYSA-N	312.373	1.409	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21	816971243	XTPUPTJJCFKAKK-WPRPVWTQSA-N	302.338	1.018	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C2(c3ccccc3)CC(=O)C2)n1	811480045	RLEMWYWKTUWVKD-UHFFFAOYSA-N	323.352	1.452	50	20	DDGD	
COCC[C@@H](C)NC(=O)NNC(=O)c1cc2c(s1)CCC2	725866118	CHJYDRPESFDWFL-SECBINFHSA-N	311.407	1.606	50	20	DDGD	
O=C(NNc1ccc(-n2cccn2)nn1)NOCC1CCC1	824032849	VIADSGGYYVUHSY-UHFFFAOYSA-N	303.326	1.020	50	20	DDGD	
CCCN(NC(=O)c1cnc(C)nc1N)C(=O)OC(C)(C)C	496599998	LCZWVXQYURDLSB-UHFFFAOYSA-N	309.370	1.659	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CCN(C)c3ccccc32)nc(N)n1	828371906	OSGZPYMNWORAES-LBPRGKRZSA-N	312.377	1.434	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cc2cc(F)ccc2o1	829724553	POLOPDGVHDPVKK-QMMMGPOBSA-N	314.338	1.928	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2ccc(C)n2C)cn1	729693139	KVWJDSQATRRCPU-UHFFFAOYSA-N	319.390	1.369	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1C1CC1	826365962	MAUSEWPCRZIZKF-UHFFFAOYSA-N	324.348	1.235	50	20	DDGD	
CC(C)c1c(C(=O)NN(C)[C@@H](C)CO)cnn1-c1ccccc1	823976180	ALPDFFSJBWUXIK-ZDUSSCGKSA-N	316.405	1.953	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C	496765966	ZGXPGCVDDJGVIL-ZJUUUORDSA-N	316.402	1.228	50	20	DDGD	
CC[C@@H](CC(C)C)C(=O)NNC(=O)c1cncc(NC(C)=O)c1	827148056	CUZYDLFPGXDOIE-LBPRGKRZSA-N	320.393	1.873	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1ccc2c(c1)CCO2	728072354	FJUHJZPLNNVQHC-UHFFFAOYSA-N	323.312	1.823	50	20	DDGD	
CCOC(=O)N[C@@H](C(=O)NNC(=O)c1ccccc1C)C(C)C	490577032	ZZXAWHSYXQFIEO-CYBMUJFWSA-N	321.377	1.527	50	20	DDGD	
CCOC(=O)NNC(=O)c1cccc(Oc2cnccn2)c1	491565852	AEZGHSGYBCHGHQ-UHFFFAOYSA-N	302.290	1.660	50	20	DDGD	
COC[C@]1(CO)CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1	491012363	QYEDTYNHWSNCIG-XMCSSRMMSA-N	318.348	1.590	50	20	DDGD	
CCOC(=O)NNC(=O)C1(CNC(=O)OC(C)(C)C)CC1	495429788	NHHOYSSMICYJQX-UHFFFAOYSA-N	301.343	1.069	50	20	DDGD	
CCCCCNC(=O)/C(C#N)=C/c1ccc(-c2nn[nH]n2)o1	821055578	DRJYRFLUEPTPNN-CSKARUKUSA-N	300.322	1.673	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)OC[C@H]2CNC(=O)O2)cc1	496273520	JVFIHWFUYWZMRN-YRBHFNIASA-N	316.313	1.644	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCc2ccc(-c3nn[nH]n3)cc21	825582591	LSMAUHPYAFHBAO-FMIVXFBMSA-N	310.317	1.200	50	20	DDGD	
COC[C@@H](NC(=O)/C(C#N)=C/c1ccc(F)cc1)C(=O)OC	490845950	UIKAMEBZHRURTD-SVTZGKHISA-N	306.293	1.037	50	20	DDGD	
COC[C@H]1CCCCN(C(=O)/C(C#N)=C\c2cnn(C)c2)C1	829520666	GFWPODAJSSSKPK-XKBFBRDOSA-N	302.378	1.602	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@H](CC(C)(C)C)C1	827259589	KUCOXBYRQMAFPQ-XQQFMLRXSA-N	311.426	1.910	50	20	DDGD	
CCOCc1nc(C)c(C(=O)NNC(=O)c2ccccn2)s1	822122785	YRRREWQWRBPXEE-UHFFFAOYSA-N	320.374	1.458	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)/C=C/[C@H]2CCOC2)cc1	492951831	GGRCKNIMXVPTAC-FOKSMMDQSA-N	305.334	1.441	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cccc(O[C@@H](C)C(=O)O)c1	490611418	QIBSAUADPMDUGO-LFTLCWSBSA-N	318.329	1.208	50	20	DDGD	
COc1ccnc(NNC(=O)/C(C#N)=C\c2ccc(O)cc2)n1	490909772	OTLZAJJEQVKBAF-FLIBITNWSA-N	311.301	1.241	50	20	DDGD	
Cc1c(NCc2ccc(B(O)O)cc2F)cnn1C1CCCC1	585038387	CNPCRWGDTNETNY-UHFFFAOYSA-N	317.173	1.738	50	20	DDGD	
Cc1ccc2c(c1C)C(=NNC(=O)N1CCOCC1)CCO2	737435000	QZFZSWWFTXMHBR-UHFFFAOYSA-N	303.362	1.832	50	20	DDGD	
OB(O)c1ccc(CN[C@H](C[C@@H]2CCOC2)c2ccccc2)o1	585032776	ZXJDNBZALBHRNR-XJKSGUPXSA-N	315.178	1.217	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=S)NCCc2cccs2)[nH]1	900050112	BMQYDDWHGPJANB-UHFFFAOYSA-N	323.447	1.440	50	20	DDGD	
CN(C(=O)c1cc(B(O)O)ccc1F)C1CCC(C)(C)CC1	584958800	XPZLGODUUGKSQV-UHFFFAOYSA-N	307.174	1.546	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc(C(=O)O)c1)C1=CCN(C)CC1	833520540	FLTDHPONTBJMMR-LLVKDONJSA-N	318.377	1.661	50	20	DDGD	
CN([C@H](CO)CC(C)(C)C)S(=O)(=O)CBr	832455246	BCNUAHPFALUTAF-QMMMGPOBSA-N	302.234	1.398	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNc1nc(-c2ccccc2)no1	839644374	RACSMNWZROUKQG-LLVKDONJSA-N	318.333	1.769	50	20	DDGD	
CCCC(=O)NC1CCN(C(=O)NNC(=O)C(C)(C)C)CC1	731499087	JFHJIJRQKCECBR-UHFFFAOYSA-N	312.414	1.154	50	20	DDGD	
COc1cc(OC)c(OC)cc1NCc1cccc(B(O)O)c1	585016565	QRLFNSGBULYLMH-UHFFFAOYSA-N	317.150	1.004	50	20	DDGD	
O=C(NCC[C@@H]1C[C@H]2CC[C@H]1O2)NNc1cncc(Cl)n1	838752958	VGSOAHYILMTYNF-OPRDCNLKSA-N	311.773	1.714	50	20	DDGD	
Cc1ccc(C(C)(C)CNCc2ccc(B(O)O)cc2F)nc1	585049292	OFEPRKIIKJQSMW-UHFFFAOYSA-N	316.185	1.276	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@@H]1C[C@H]1c1ccccc1F	838758907	ZCLNSNVJJGFINM-WCBMZHEXSA-N	319.258	1.964	50	20	DDGD	
CSCc1cnc(/C=C(\C#N)S(=O)(=O)N(C)C)s1	834438537	UKNWXBXRAKDFEV-RUDMXATFSA-N	303.434	1.762	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(S)n1)c1ccc(N)cc1	730585304	CKHBPXDBTDSKMD-UHFFFAOYSA-N	317.374	1.136	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)[C@@H]1CCCN1c1ncccn1	837206224	JTTNHZQXDAXZFU-NSHDSACASA-N	320.303	1.262	50	20	DDGD	
CN(C)CC(=O)NN=Cc1cccc(Br)c1F	834954501	QXPPCCQDEGLUSC-UHFFFAOYSA-N	302.147	1.600	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc2c(c1)CCC2	831077366	KKKPUIQQSGYRBB-QMTHXVAHSA-N	303.362	1.753	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNc2ncc(F)cc2F)C12CCC2	838765230	KUFNEVBHXWNHBR-QWRGUYRKSA-N	312.320	1.944	50	20	DDGD	
OB(O)c1ccc(CN[C@@H](CCc2ccccc2)C(F)F)o1	585049221	LWBQRYRXUAQXCY-ZDUSSCGKSA-N	309.121	1.316	50	20	DDGD	
CN1CCC[C@H](CCNC(=O)NNC(=O)c2ccccc2O)C1	838764738	FQGUSAHOPPITPI-GFCCVEGCSA-N	320.393	1.068	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2C[C@H]2C(C)C)c(OC)c1	838761823	ZKDMQXLQEQPNOZ-QWHCGFSZSA-N	321.377	1.692	50	20	DDGD	
O=S(=O)(CCl)NCc1ccc(N2CCCCC2)nc1	830013201	ITYWPYAANUHCQZ-UHFFFAOYSA-N	303.815	1.688	50	20	DDGD	
N#Cc1ccc(C(=O)NN[C@H](C(=O)O)c2cccc(C#N)c2)cc1	833072306	RKDDZMHTYBUUPA-HNNXBMFYSA-N	320.308	1.490	50	20	DDGD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NNc1ncc(F)cc1F	837207285	RLZQRUMYMLETOW-WPRPVWTQSA-N	301.293	1.387	50	20	DDGD	
COc1cccc(O)c1C(=O)NNC(=O)OCC(F)(F)F	912597555	VVBKKQUZPAVPEZ-UHFFFAOYSA-N	308.212	1.334	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccccc1C(C)(F)F	836727748	QMZZGRSJBUZOAJ-UHFFFAOYSA-N	300.309	1.513	50	20	DDGD	
Cc1cc(OCC(=O)NNC(=O)c2cc[nH]n2)ccc1Cl	918688898	IODZFJAEYAGXGO-UHFFFAOYSA-N	308.725	1.212	50	20	DDGD	
CCN(CCNC(=O)NNc1ccncn1)c1ccccc1C	836237578	JPZQZNOXSLAZQY-UHFFFAOYSA-N	314.393	1.938	50	20	DDGD	
Cc1nccn1CCNC(=O)NNc1cc(F)c(F)c(F)c1	746761899	NTKBEXDMNVKCEO-UHFFFAOYSA-N	313.283	1.935	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1)c1ccncc1	916372822	WSYQXLSQEZKKEZ-MCIONIFRSA-N	318.421	1.667	50	20	DDGD	
CC(=O)c1cc(C(=O)NN(C)C[C@H](C)O)ccc1OC(C)C	910140071	GXTQXFQYYJVDPV-NSHDSACASA-N	308.378	1.634	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H]1CCCN(CC(F)(F)F)C1	919809224	IIFOKQPBTOYYQX-SNVBAGLBSA-N	309.332	1.454	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1cc(C)ccc1OC	748258639	BLKJFMOIYBAXOT-CYBMUJFWSA-N	308.378	1.895	50	20	DDGD	
O=C(O)Nc1cccc(C(=O)NNc2nccnc2Cl)c1	740033747	LQSDPGXLLJADIQ-UHFFFAOYSA-N	307.697	1.977	50	20	DDGD	
CCN(CC)c1ccc(C(=O)NNC(=O)c2cn[nH]c2)cc1	916101665	AICUVSJGTOHOHE-UHFFFAOYSA-N	301.350	1.331	50	20	DDGD	
COc1ccc(CCC(=O)NN=Cc2ccc(C(=O)O)[nH]2)cc1	749815780	RPLLGUHLFBKCRS-UHFFFAOYSA-N	315.329	1.804	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)N[C@@H]1CCCNCC1	841978661	NUBKSCXESCZRHR-CQSZACIVSA-N	304.394	1.092	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)C[C@H](OC)C1CCCCC1	849304675	UYGHEGIJHSQPAX-AAEUAGOBSA-N	320.455	1.578	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc3ccccc3n2)nn1C	917521030	MEJJFOBRHULJGV-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CCC(C)(F)F)c1	915695572	SOAQWWHIMQFCLQ-UHFFFAOYSA-N	300.305	1.957	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(Oc2cccnc2)cc1	910167499	GTCBVWBCWZDBGR-GFCCVEGCSA-N	301.346	1.831	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@@H]1C[C@@H](C)O[C@@H]1C	840436710	QLWHZEMQRGNIHB-UTUOFQBUSA-N	321.377	1.453	50	20	DDGD	
COc1ncnc(N)c1C=NNC(=O)c1cc(Cl)ccc1O	747629058	AIIGFTPXEKZUIG-UHFFFAOYSA-N	321.724	1.190	50	20	DDGD	
CC(C)CNC(=S)NNC(=O)[C@@H](C)CN1CCC(C)CC1	916118035	YOWKFDQAJXZTGX-ZDUSSCGKSA-N	314.499	1.506	50	20	DDGD	
Cn1ncc2c1CCCC2=NNC(=O)c1ccc2c(c1)OCO2	915941545	QILARAZDUQNYIM-UHFFFAOYSA-N	312.329	1.619	50	20	DDGD	
C[C@H](NC(N)=O)C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846379272	USFTTYBWTNXAOR-YFKPBYRVSA-N	324.690	1.859	50	20	DDGD	
CC(=NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1ccc(CC(=O)O)cc1	844615008	RGVPVRZGVODDNG-RBSFLKMASA-N	316.357	1.721	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H]2CCC(=O)[C@H](C)C2)cc1	846377325	BBLYQAXZNQTESM-DGCLKSJQSA-N	318.373	1.851	50	20	DDGD	
Cc1nc(C=NNC(=O)[C@H](C)CN2C[C@@H](C)O[C@H](C)C2)cs1	916372228	PEVDGLMHXUDYOC-IJLUTSLNSA-N	324.450	1.647	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCO[C@H]2C(F)(F)F)cn1	912082815	ZLQBBRWTMBLPAU-NJHLSQGMSA-N	300.240	1.074	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCSc1ccccn1	843652299	IYRAKPSFJBIPNQ-GHMZBOCLSA-N	309.391	1.136	50	20	DDGD	
O=C(Cn1nnc2c1CCCC2)NNc1cc(Cl)ccn1	847678874	VGNBTDJVYVHQII-UHFFFAOYSA-N	306.757	1.349	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(F)c(F)c(F)c1F	843638637	DAQJFQCAZVJYOO-WDSKDSINSA-N	320.242	1.429	50	20	DDGD	
O=C(NNc1ccc(F)cc1Br)c1nc[nH]n1	748074619	JIXMRITWQZAMIP-UHFFFAOYSA-N	300.091	1.463	50	20	DDGD	
C[C@H]1CC(=NNC(=O)[C@@H](C)Oc2ccccc2F)c2ncnn21	841611806	BFVVGEGJOZYJGH-VHSXEESVSA-N	317.324	1.670	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H](C)[C@H]2CCCNC2)cc1	841928853	SZAOGQRBAHXBIR-WFASDCNBSA-N	318.421	1.581	50	20	DDGD	
O=C(Cc1ccncc1)NN=Cc1nc(-c2ccccc2)no1	747640706	GSDLUBXUFLSBSB-UHFFFAOYSA-N	307.313	1.824	50	20	DDGD	
CCc1ccc2c(c1)C(=NNC(=O)[C@H]1CCO[C@@H]1C)C(=O)N2	842560595	YBZJNMCRGAFYSH-KOLCDFICSA-N	301.346	1.446	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cccc2c1CCCC2	748640077	OFNGFEUMZWHBKT-LLVKDONJSA-N	310.419	1.921	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H]1CCO[C@@H](c2ccccc2)O1	847393784	HVDHZYKWKCWCNK-GXTWGEPZSA-N	307.350	1.231	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)CCCn2cccn2)o1	749219037	HZJKTPMEFSCKGV-UHFFFAOYSA-N	302.338	1.790	50	20	DDGD	
CCc1ncc(C=NNC(=O)[C@H](C)CN2CCC(C)CC2)cn1	841613789	AECJGCDUVLLVNR-CQSZACIVSA-N	317.437	1.857	50	20	DDGD	
CCNC(=O)NN=Cc1cc([N+](=O)[O-])ccc1OC(F)F	920825530	SKTHVVRNLAKXQT-UHFFFAOYSA-N	302.237	1.849	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	843640472	NUOSSBZOEIOQMG-OCCSQVGLSA-N	306.362	1.336	50	20	DDGD	
COc1ccnc(NNC(=O)CSc2ccc(O)cc2)n1	756776913	BJHCJFAZCYRVMM-UHFFFAOYSA-N	306.347	1.426	50	20	DDGD	
O=C(NCCOCCF)NNC(=O)c1ccc(Cl)cc1F	852715146	ZCLUOQBFCCMYHL-UHFFFAOYSA-N	321.711	1.409	50	20	DDGD	
O=C(NCCC1(O)CCC1)NNc1ccc([N+](=O)[O-])cc1F	854053264	OKMAFYLRYXGKTE-UHFFFAOYSA-N	312.301	1.665	50	20	DDGD	
C[C@@](O)(CC(=O)NNC(=O)c1cccc2ncccc12)C1CC1	755879755	XWHMJNVWQOIFDW-QGZVFWFLSA-N	313.357	1.547	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NN=C[C@@H]1CCOC1	853371266	RCTBELPAGXFLEZ-YNEHKIRRSA-N	306.366	1.026	50	20	DDGD	
Cc1nnsc1CNC(=O)NC[C@]1(C)C[C@H]1Br	856859366	OACCQQMSIDJLJP-SCZZXKLOSA-N	319.228	1.819	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NN=c2cc[nH]cc2Cl)C1	857861821	VHYVTWMQMTUZAO-SCZZXKLOSA-N	305.769	1.689	50	20	DDGD	
CN1CCC[C@H](CNC(=O)NC[C@@]2(C)C[C@H]2Br)C1	856838614	DIDCZHWTBAXKTI-NQBHXWOUSA-N	318.259	1.801	50	20	DDGD	
COc1cccc(C(=O)NNc2ccccc2S(C)(=O)=O)n1	752800067	JOPYGUUCGQQKEO-UHFFFAOYSA-N	321.358	1.251	50	20	DDGD	
CCN1CCC[C@@H](NC(=O)NNc2cc(F)ccc2C)C1=O	925983285	OSMZPRWMOWQDOI-GFCCVEGCSA-N	308.357	1.771	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CN2CCC[C@H]2C2CC2)c1	756508572	LUAPYKVUWKADRF-HNNXBMFYSA-N	312.373	1.194	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNC(=O)COc1ccc(F)cc1	858145189	YSHQKWZNLIDQFE-ZDUSSCGKSA-N	312.341	1.557	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1c[nH]c2cc(F)c(F)cc2c1=O	929790808	NEOWNOILXICTSQ-UHFFFAOYSA-N	323.299	1.613	50	20	DDGD	
CCc1nc(NC(=O)NNC(=O)c2cnccn2)sc1C	756805206	QXTDDDDAYZXEPK-UHFFFAOYSA-N	306.351	1.270	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ncn(Cc2ccccc2)n1	756236803	BREKUOKZSCQGCQ-LLVKDONJSA-N	316.365	1.525	50	20	DDGD	
O=C(NNS(=O)(=O)c1cc(F)cc(Cl)c1)C1CCCC1	755405734	IVKZFSLRAQSZDO-UHFFFAOYSA-N	320.773	1.979	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=O)OCC(F)(F)F	856024352	RZCZHYBAILJEQQ-HRDYMLBCSA-N	311.304	1.567	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCN(C)c2ccccc21	750771786	IOLFFTHKQWBLAN-LBPRGKRZSA-N	313.361	1.103	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C(N)=O	866919399	JDOVWJJEIFKLFN-VHSXEESVSA-N	310.847	1.215	50	20	DDGD	
CCNC(=O)c1ccc(C)c(NCc2cccc(B(O)O)c2)c1	864026492	LPLADPOPJPUDSG-UHFFFAOYSA-N	312.178	1.037	50	20	DDGD	
COc1ccc(NNC(=O)[C@@]2(C3CCCC3)CCNC2=O)nc1	861176766	SBURMFFNHZKNCK-MRXNPFEDSA-N	318.377	1.230	50	20	DDGD	
COc1ccc2c(c1)[C@@H](C(=O)NNC(=O)c1cn[nH]c1)CCC2	862469629	RBDWVLVCACPORB-ZDUSSCGKSA-N	314.345	1.299	50	20	DDGD	
CCn1ncc(C(=O)NNc2ccccc2C(=O)OC)c1C	867223794	VGDABNMITROMIM-UHFFFAOYSA-N	302.334	1.755	50	20	DDGD	
Cc1nonc1CNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	769872819	PMWWWZAFOWKXFW-MKPLZMMCSA-N	314.183	1.948	50	20	DDGD	
COC(=O)[C@]1(F)CCN(C(=O)[C@H](Br)C(C)(C)C)C1	768219065	VAUYVCRRQWAPGS-UFBFGSQYSA-N	324.190	1.910	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)c1cncs1	765247807	BIZFBWRLNOHEQD-UHFFFAOYSA-N	309.372	1.402	50	20	DDGD	
CC(C)COC[C@H](O)CNC(=O)[C@@H](Br)C(C)(C)C	768264970	PDRUNHGVLOIYHE-GHMZBOCLSA-N	324.259	1.946	50	20	DDGD	
COc1nc(C)ccc1C(=O)NNCC(F)(F)C(F)(F)F	863099984	MNCYHAWBEJKERS-UHFFFAOYSA-N	313.226	1.831	50	20	DDGD	
O=C(CC(F)(F)C(F)(F)F)NNC(=O)[C@@H]1CCCCO1	868619891	VRJOMWQTXUJJNO-LURJTMIESA-N	304.215	1.291	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCOCC(F)(F)C1	867273407	FYGVUPLGNOWTCP-UHFFFAOYSA-N	305.774	1.549	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNC(=O)c1cccc(OC)c1O	863861424	VZEQFYMYQMXZRT-LBPRGKRZSA-N	310.350	1.367	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)n1	862524791	VFHHREGYGTUATD-LBPRGKRZSA-N	314.345	1.475	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)Cc2ccco2)cn1	765448204	OIJGGAMBVUVCKI-UHFFFAOYSA-N	306.347	1.244	50	20	DDGD	
Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NNC(=O)C(C)(C)O	768261524	MNKCOWLAKWUHAM-NEPJUHHUSA-N	304.390	1.894	50	20	DDGD	
Cc1ccccc1C(F)(F)C(=O)NNC(=O)Cc1cc[nH]n1	1116560251	GARBBAKAZUROBW-UHFFFAOYSA-N	308.288	1.200	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cccc2c[nH]nc12	863091743	PZWUFYQOTYIWAO-UHFFFAOYSA-N	308.210	1.995	50	20	DDGD	
COc1ccc2onc(CC(=O)NN[C@@H](C)C(F)(F)F)c2c1	862322334	HINBMKKSITZNRF-ZETCQYMHSA-N	317.267	1.951	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)c2ccc(Cl)c(Cl)c2)N1	862448695	GCHXIMRIEYJFHK-SECBINFHSA-N	316.144	1.033	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1sccc1O	769779228	ADRFXAPKDKLJPH-UHFFFAOYSA-N	307.331	1.317	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)OCC(=O)NCC1CC1	766749872	FXAOFENPLFFWQO-SNVBAGLBSA-N	306.200	1.865	50	20	DDGD	
O=C(NNc1ncccn1)c1cnc(OCc2ccccc2)cn1	760107543	RFPTXNDNSMVFQY-UHFFFAOYSA-N	322.328	1.603	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCCCC(=O)OC(C)(C)C	875455211	LRINTNTWOXLEKW-UHFFFAOYSA-N	303.359	1.411	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1cnn2ccncc12	1116909939	PEEWZAGVPZBBRU-UHFFFAOYSA-N	310.317	1.504	50	20	DDGD	
CC[C@@H](NNC(=O)c1cnccn1)C(=O)Nc1ccc(C)cc1	871872339	SPJHXMIMEPQCLD-CYBMUJFWSA-N	313.361	1.437	50	20	DDGD	
Cc1ccc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)nc1	772217107	YHWXQOMRQLCJBL-LLVKDONJSA-N	307.350	1.129	50	20	DDGD	
CC(C)[C@](C)(O)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	770207163	BLNXUGZYTQDAGV-BONVTDFDSA-N	312.341	1.147	50	20	DDGD	
CN1C(=O)C[C@@H](C(=O)NCCCSC#N)c2ccccc21	1118700792	SJTYDEOFBYTKSH-GFCCVEGCSA-N	303.387	1.857	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)C(=O)NN=Cc1cncs1	771568102	NRPNRRMFLOFWFG-UHFFFAOYSA-N	322.777	1.563	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc2nc(C(F)(F)F)cn2c1	770221723	FMKYHSRNXNGYMW-UHFFFAOYSA-N	315.255	1.269	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@@H](O)C1CC1	873854165	UJWKEPBCEPUPOY-ZDUSSCGKSA-N	307.419	1.646	50	20	DDGD	
COCCOc1ccc(F)cc1NC(=O)NNc1ncccn1	775592843	RQWNMZAMOFAGAZ-UHFFFAOYSA-N	321.312	1.790	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccoc1Br	770260068	PJXVEISAXRVCFF-UHFFFAOYSA-N	315.045	1.756	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCCC[C@@H](C)C2)c1	775729900	XZWRJDQETREWOI-CQSZACIVSA-N	303.406	1.878	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C2(CN(C)C)CC2)c1	873777119	VVYYWRCEGHDRBZ-UHFFFAOYSA-N	306.435	1.654	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2CC[C@@H]3C[C@H](C)CN3C2)n1	1123584232	LYCXNMXEOKIGFS-ZLKJLUDKSA-N	303.410	1.657	50	20	DDGD	
CCCCCCO[C@@H](C)C(=O)NNC(=O)C1CCOCC1	883071199	RHKJIEPZXREZIV-LBPRGKRZSA-N	300.399	1.546	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@]2(C)CC(C)=NO2)ccc1F	1120742694	GQJNMQFTGCMDQM-AWEZNQCLSA-N	309.297	1.610	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)c1c(O)cccc1F	772039700	QMWYQHZCDKVYRM-UHFFFAOYSA-N	320.276	1.077	50	20	DDGD	
O=C(NNC(=O)N1CC[C@@H](C2CCCC2)C1)c1cccnn1	883853142	DHYPQYALISUTMR-GFCCVEGCSA-N	303.366	1.343	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1cccc2c1OCCO2	775317050	GXKXSORBDGNRRS-UHFFFAOYSA-N	313.313	1.924	50	20	DDGD	
COCc1ccc(CNC(=O)NNC(=O)C2CCOCC2)cc1	883112599	RLSLCEDYAVPTKM-UHFFFAOYSA-N	321.377	1.090	50	20	DDGD	
CC(C)(C)OC(=O)CCCCNC(=O)NNC(=O)c1ccc[nH]1	774340873	RJVOLMIKRYZZSN-UHFFFAOYSA-N	324.381	1.471	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Cn1nc(C(F)F)cc1C(F)F	1120008425	RPZUVORKNBIOBU-UHFFFAOYSA-N	324.278	1.952	50	20	DDGD	
CC(C)/C=C/c1cn(CC(=O)NNC(=O)c2cccs2)nn1	880998878	BRBFXISRAQZWAE-AATRIKPKSA-N	319.390	1.470	50	20	DDGD	
O=C(NNS(=O)(=O)[C@H]1C[C@@H]1c1cccc(F)c1)C1CCC1	882697663	HGMXELZSLJPBFJ-OLZOCXBDSA-N	312.366	1.432	50	20	DDGD	
O=S(=O)(CCCCl)N[C@H]1CCCN(CC(F)(F)F)C1	882233610	QQFGPPJEZOJZMQ-VIFPVBQESA-N	322.780	1.561	50	20	DDGD	
Cc1cc(C)cc(NC(=O)C(=O)NNc2ncncc2Cl)c1	782166069	NCDRNEVFVJQJEO-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
Cn1cc(NC(=O)NNC(=O)C2CCCC2)c(C(F)(F)F)n1	782802710	NXLYFQFOIPHGKN-UHFFFAOYSA-N	319.287	1.782	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NC[C@H]1CCC=CO1)c1ccccc1	780733728	IIDCNQVKJPLYFW-CQSZACIVSA-N	317.389	1.987	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)CCCc2ccccc2)CCCOC1	781158523	STJCFLOFGYUSIQ-KRWDZBQOSA-N	304.390	1.973	50	20	DDGD	
CCc1onc(C)c1NC(=O)C(=O)NNc1cc(C)ccn1	783934760	YKZZWEQVIYYSDW-UHFFFAOYSA-N	303.322	1.331	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2ncncc2Cl)c1	781819051	WITGZDNCPUBHNR-UHFFFAOYSA-N	305.725	1.247	50	20	DDGD	
CC1(C)CCN(CCNC(=O)NNc2ncc(Cl)cn2)C1	898589305	WYSMDFSFCFBJFN-UHFFFAOYSA-N	312.805	1.488	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1ccc2n[nH]cc2c1	792379332	DHTNUFYAMJQKPO-UHFFFAOYSA-N	310.317	1.348	50	20	DDGD	
COc1ccccc1C(=O)C(=O)NNC(=S)NC(C)(C)C	899995714	BMLBBRXLUQYVNW-UHFFFAOYSA-N	309.391	1.172	50	20	DDGD	
CC(=NNC(=O)c1cccn1C)c1ccc2c(c1)OCC(=O)N2	794888533	ISJWZCDKOOQRTM-UHFFFAOYSA-N	312.329	1.510	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)c1cccc(OC)c1O	795011119	DIPAVMAMCAZAMI-TVQRCGJNSA-N	310.350	1.223	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@@H]2N(C)CCCC2(C)C)nc1	790542871	PTNSMDXBMDWXPM-ZDUSSCGKSA-N	321.425	1.837	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=C1CCCc2cccnc21	799113395	OAGFBAKLTOEIKP-UHFFFAOYSA-N	318.377	1.763	50	20	DDGD	
CSSCCNC(=O)CCS(=O)(=O)C1CCCC1	791149959	FNHPSVVYTKELOY-UHFFFAOYSA-N	311.494	1.861	50	20	DDGD	
CC(C)(C#N)c1ccc(C(=O)NNc2ncnc3[nH]cnc23)cc1	795114513	CXYBZKOZDWLYIF-UHFFFAOYSA-N	321.344	1.911	50	20	DDGD	
O=C(NNC(=O)c1cccnc1F)c1ccc2c(c1)OCCO2	791196209	OGEIRJHMAXOOKY-UHFFFAOYSA-N	317.276	1.067	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)CC1OCCCO1	792811281	XEUNEMHERRIZEP-UHFFFAOYSA-N	317.345	1.011	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)C(=O)NC2CC2)c(C)c1OC	794886470	LSNXKRHWUDEFTH-UHFFFAOYSA-N	319.361	1.131	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(Cn2cccc2)cc1	1318422567	SEZFPGNJUPYNCN-UHFFFAOYSA-N	323.356	1.643	50	20	DDGD	
COCCCNC(=O)NNC(=O)C(C)(C)Oc1ccccc1	1323205098	WEZXLNDFOUTZCZ-UHFFFAOYSA-N	309.366	1.211	50	20	DDGD	
Cc1cc(Cl)cnc1NC(=O)C(=O)NNc1ncncc1F	1326298500	LNBVHHNIWDUOID-UHFFFAOYSA-N	324.703	1.054	50	20	DDGD	
CCc1onc(C)c1NC(=O)C(=O)NNc1cccc(F)n1	1326872220	WIEXCHDBHSOXAS-UHFFFAOYSA-N	307.285	1.161	50	20	DDGD	
NC(=O)NN=Cc1cccc(OCc2cccc(C(=O)O)c2)c1	1326916977	UZZZGDOESBXHRW-UHFFFAOYSA-N	313.313	1.966	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1ccc2cc(OC)ccc2c1	1322285869	JPIQGAUKHFZVJG-UHFFFAOYSA-N	300.314	1.862	50	20	DDGD	
C[C@@]1(CNC(=O)N[C@H]2CC[C@H](CN)CC2)C[C@@H]1Br	1333600838	NFELHJFPUYVYRH-ZPFDUUQYSA-N	318.259	1.977	50	20	DDGD	
CCc1ncoc1C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	1338996134	ODAWJMZZGXYVHP-UHFFFAOYSA-N	317.349	1.770	50	20	DDGD	
CCc1cc(NC(=O)NNC(=O)c2ccc(OC)cc2)nn1C	1261387193	VIDLHNIHQJGTQE-UHFFFAOYSA-N	317.349	1.458	50	20	DDGD	
CCC[C@H](CC(C)C)C(=O)NNC(=O)C(=O)NC(CC)CC	1344098528	IRNSUQTZQGHDPR-GFCCVEGCSA-N	313.442	1.901	50	20	DDGD	
CC1(C)[C@@H]2CC[C@@]1(C(=O)NNC(=S)NCC1CCC1)C(=O)C2	1521726814	MLKLPIFKUNFLPK-BZNIZROVSA-N	323.462	1.677	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@H]1CCCC[C@H]1C(=O)O	1608484473	VBAHXMCSBGQKMF-VHSXEESVSA-N	307.306	1.929	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)ccc1F	1602286603	NFNLGUBKIWEDCA-GMOODISLSA-N	308.309	1.782	50	20	DDGD	
Cc1nnccc1NC(=O)NNc1ccc(-c2nn[nH]n2)cc1	1609462487	WDSAUAGHAKMBRK-UHFFFAOYSA-N	311.309	1.114	50	20	DDGD	
Br[C@H]1[C@@H]2CN(c3ccnc(-c4nn[nH]n4)c3)C[C@H]12	1602673706	OWBPSZPKTGHDAU-MBTKJCJQSA-N	307.155	1.091	50	20	DDGD	
Cc1ccc(NNC(=O)Cn2cc(C3CC3)cn2)cc1C(=O)O	1600461056	AVASHGFRMIHMCH-UHFFFAOYSA-N	314.345	1.910	50	20	DDGD	
C[C@@H](Cc1cnc[nH]1)C(=O)NNc1ccc(CC(=O)O)cc1	1604241018	OZAFHOBGTRDWQP-JTQLQIEISA-N	302.334	1.359	50	20	DDGD	
O=C(O)c1cnc([C@H]2CCN(S(=O)(=O)CCl)C2)s1	1602515730	CWATTYFOZJXSGA-LURJTMIESA-N	310.784	1.157	50	20	DDGD	
Cc1onc(CC(=O)NNc2ccc(F)c(C(=O)O)c2)c1C#N	1608058407	KAHDOGRXSUQNDT-UHFFFAOYSA-N	318.264	1.378	50	20	DDGD	
O=C(NNc1cccc(F)c1C(=O)O)c1cnc2nccn2c1	1608483448	YSSHVDGQFKMARI-UHFFFAOYSA-N	315.264	1.324	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CC[C@H]3CCCCN23)cc1F	1602385085	QSTMBNLFBSISPC-RISCZKNCSA-N	321.352	1.984	50	20	DDGD	
Cc1nccc(CCC(=O)NNc2ccc(F)c(C(=O)O)c2)n1	1600748966	OYGUFDURWBOMPM-UHFFFAOYSA-N	318.308	1.698	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2c[nH]nc2C2CC2)c(F)c1	1608904247	NXDJBMXHYNTLPK-UHFFFAOYSA-N	304.281	1.881	50	20	DDGD	
O=C(O)c1ccnc(C(=O)NNc2ccc([N+](=O)[O-])cc2)c1	1608951985	YYCKTUPTKMLQSD-UHFFFAOYSA-N	302.246	1.445	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)C(F)(F)C2(O)CCC2)cc1F	1610835333	AQLQPPGLVVUXDS-UHFFFAOYSA-N	318.251	1.517	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cc3ccccc3c(O)n2)nc1	1610835915	MZFGWHGRBWUDCS-UHFFFAOYSA-N	324.296	1.791	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@H](CC)C(=O)O)cc1C	1610024269	ZQCCXYYOVCIJQM-NSHDSACASA-N	308.334	1.726	50	20	DDGD	
O=C(NN=C1CCc2cc(F)ccc21)[C@H]1CN2CCC[C@H]2CO1	1549315951	DEUNHDDIMIPBOP-XJKSGUPXSA-N	317.364	1.455	50	20	DDGD	
CC(COC(C)C)=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccnn1C	1549321078	ROJPWMAIUGWYNB-HIFRSBDPSA-N	322.409	1.805	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1ccccc1C	1549313308	FDKGLDIEQFJHRZ-GOEBONIOSA-N	301.390	1.698	50	20	DDGD	
COCC(C)(C)C=NNC(=O)[C@H]1CCCO[C@H]1c1nccn1C	1549312590	WUBXAKMBDRZJKR-QWHCGFSZSA-N	322.409	1.662	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@@H]2C=NNC(=O)c2cnn(C)c2)cn1	1552449248	JCNUJJSWLZWMSN-BXUZGUMPSA-N	316.365	1.130	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H](N)c1ccccc1C(F)(F)F	1578006472	GTSMLRPBBVDKRR-SECBINFHSA-N	305.256	1.483	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H](C(=O)NN)c1ccc(F)cc1F	1575208632	OSIROMIPOZVOBT-JTQLQIEISA-N	301.293	1.521	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2cnc(N)s2)cc1C	1578061034	LMCFEKLKKIQLRH-UHFFFAOYSA-N	320.374	1.967	50	20	DDGD	
Cc1nn(C)c2nc(Cl)cc(NNC(=O)[C@H]3CCC[C@H]3N)c12	1579891155	CSIDAEGCZSHRKA-DTWKUNHWSA-N	322.800	1.501	50	20	DDGD	
N[C@H](C(=O)NNC(=O)NCCc1cccs1)c1ccccc1	1574261764	FHBWIOGPONCJHV-ZDUSSCGKSA-N	318.402	1.321	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2C[C@]23CCCNC3)cc1F	1578870996	NYGMLHJOVCFBRC-WBMJQRKESA-N	321.352	1.445	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@H]2CC[C@H]2C(=O)O)c2ccccc21	1574449185	KJBZFMNTPBXJDH-WDEREUQCSA-N	315.329	1.050	50	20	DDGD	
CN[C@@H](C)C(=O)NNc1nc(-c2ccccn2)nc2c1CCC2	1578751361	ZYVRCGQGXLFCTN-JTQLQIEISA-N	312.377	1.078	50	20	DDGD	
C[C@@H](C(=O)O)n1cccc1C=NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	1589540288	UCYWZZNTGKSCEM-ZBAXXZLZSA-N	305.334	1.151	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1cccc(C(=O)O)c1F)C(C)C	1589153161	PUDYWGRNASNCSZ-GFCCVEGCSA-N	311.313	1.128	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)ncc1C#N	1580871297	HUMOZEYAXIPPQE-UHFFFAOYSA-N	320.316	1.199	50	20	DDGD	
NC[C@@H]1C[C@@H]1C(=O)NNC(=O)CSc1ccc(Cl)cc1	1580323903	PWSZBCGOGHKHJM-KWQFWETISA-N	313.810	1.174	50	20	DDGD	
CCC(=O)N1CC2(CCCN2C(=O)CCBr)C1	1842637645	OTPBBOQIKMFHCD-UHFFFAOYSA-N	303.200	1.385	50	20	DDGD	
CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1cccnc1	1588776158	AAQHUBZDWMDHFY-UHFFFAOYSA-N	307.317	1.416	50	20	DDGD	
N#C[C@@H]1CCCC(=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	1592673546	ZBHUDPJGNUHEPQ-SNVBAGLBSA-N	309.333	1.666	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNc1ccc(C)c(C(=O)O)c1	1596243583	NNBVEIDRAGVHTL-UHFFFAOYSA-N	321.377	1.785	50	20	DDGD	
O=C(NNc1ncccn1)c1ccc(-c2nn[nH]n2)c(Cl)c1	1593166441	KKVFUGQWLXPKRP-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1	1592231786	FIYRWHFPHLNDSZ-UHFFFAOYSA-N	317.740	1.914	50	20	DDGD	
CO[C@H]1CCN(C(=O)C2CCC(Cl)CC2)[C@H](C(=O)O)C1	1599119698	NDMBIMYKLOLYHP-QQFIATSDSA-N	303.786	1.875	50	20	DDGD	
O=C(NNC(=O)[C@@]1(C(=O)O)C[C@H]2CC[C@H]1C2)NC1CCCCC1	1594779164	KHGONDRAXXJVHH-XMZIXOGTSA-N	323.393	1.541	50	20	DDGD	
CS(=O)(=O)/C(C#N)=C/c1ccc(-n2cnc(C(=O)O)c2)cc1	1777395541	QPLFNSWKDNCZAJ-WUXMJOGZSA-N	317.326	1.480	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=Cc1ccc(C(=O)O)cc1OC	1776102580	SWBLJKXRLSZDSD-WCQYABFASA-N	306.318	1.269	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(C)=O)[C@H]2C1	1786616053	FVQVHQPMGWFXFS-FQUUOJAGSA-N	316.829	1.394	50	20	DDGD	
CNS(=O)(=O)c1cc(C(=O)NNc2cc(C)ccc2C)co1	161112380	DZZUAKGSBFANII-UHFFFAOYSA-N	323.374	1.561	50	20	DDGD	
O=C(NNc1ccccc1F)[C@H]1CC(=O)N(Cc2ccco2)C1	153011436	YTVVZRVCYUAGRQ-NSHDSACASA-N	317.320	1.911	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)[nH]n1	153195957	IYEWXGMBCHIJNF-QWRGUYRKSA-N	320.299	1.561	50	20	DDGD	
O=C(/C=C/c1ccco1)NNC(=O)COc1ccc(F)cc1	6208439	NOQDVHMGNHAUHI-BQYQJAHWSA-N	304.277	1.658	50	20	DDGD	
O=C(CCN1C(=O)CCc2ccccc21)NNc1ncccn1	155745908	ZCRKUOCEJLWKFO-UHFFFAOYSA-N	311.345	1.289	50	20	DDGD	
COCCC1(C(=O)NNC(=O)COc2cc(C)ccc2C)CC1	156728161	TZUIWQGNQRJMMN-UHFFFAOYSA-N	320.389	1.646	50	20	DDGD	
CN1CCC(NS(=O)(=O)c2ccc(CCCl)cc2)CC1	36900358	BMSNFKYVEFGTPN-UHFFFAOYSA-N	316.854	1.840	50	20	DDGD	
C[C@@H](CCCNC(=O)OC(C)(C)C)NS(=O)(=O)CCl	831713400	RIAOTFJCJLFCBI-VIFPVBQESA-N	314.835	1.796	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2ccccc2[N+](=O)[O-])n1	174477971	CZIBIJKYNNUTSW-UHFFFAOYSA-N	317.305	1.388	50	20	DDGD	
NC(=O)[C@H]1CN(C(=O)CCCC[C@@H]2CCSS2)CCO1	50857567	OOLFMKAKVBXHJS-GHMZBOCLSA-N	318.464	1.413	50	20	DDGD	
CN(C[C@@H]1CCCOC1)C(=O)NNC(=O)c1cccc(C#N)c1	107745754	VYSNTBYLUODSBI-ZDUSSCGKSA-N	316.361	1.271	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@H](CCO)c1ccccc1	172701451	AKTCSEQKFZJXCY-ZDUSSCGKSA-N	307.394	1.529	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2cn(C)nc2C)c(C)c1	113459704	IAIBRZYHYLYFCP-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
CC(C)COc1ncccc1C(=O)NNC(=O)c1cccnc1	103062761	KUAZSLPQKRDMEL-UHFFFAOYSA-N	314.345	1.586	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc(F)nc1	118760289	VBBUKUXQUZKVIN-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NC[C@@H]1C[C@@H]2CC[C@@H]1C2	177460697	SRZHBSDJKFMNJQ-MCIONIFRSA-N	302.378	1.391	50	20	DDGD	
CCN1CCCC[C@H]1CNC(=O)NNc1nc(C)cc(C)n1	111510936	RGIQQUAVCRXIRP-ZDUSSCGKSA-N	306.414	1.594	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1	21770205	ZRNVBYLQTKQGRK-CYBMUJFWSA-N	319.361	1.121	50	20	DDGD	
CCC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)[C@@H]1CCCO1	69881802	LLTRFRBNXSYCBO-GJZGRUSLSA-N	319.405	1.907	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)Cc2cc[nH]n2)s1	171660610	YYJNGOLHQOMKDZ-UHFFFAOYSA-N	307.379	1.131	50	20	DDGD	
O=C(Cn1ccc2ccc(Cl)cc21)NNC(=O)NC1CC1	64427457	NVTPIVGXISVYQF-UHFFFAOYSA-N	306.753	1.788	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1ncoc1[C@H]1CCCO1	115711525	ZYLSORHQEKRUGW-LLVKDONJSA-N	307.350	1.867	50	20	DDGD	
CN1CC(=O)N(CCCC(=O)NNc2cccc(Cl)c2)C1=O	72703437	JJXCTRYFZCEKQM-UHFFFAOYSA-N	324.768	1.457	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@H](C)CCN(C)C)c1	68598577	WSIZQBVYMXJYEW-CYBMUJFWSA-N	322.409	1.044	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccn(-c2ccccc2)n1	64425419	QUPSZIJVIBBXKX-UHFFFAOYSA-N	301.350	1.616	50	20	DDGD	
Cc1nn(C(F)F)c(C)c1CC(=O)NNC(=O)c1cccnc1	65578787	XRYCSDCWHHVMSN-UHFFFAOYSA-N	323.303	1.294	50	20	DDGD	
O=C(CCc1nc(C2CCCC2)no1)NNC(=O)c1ccc[nH]1	125611161	KSMIGZRDFRHWND-UHFFFAOYSA-N	317.349	1.449	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cc(F)c(C)cc1F	121516008	DSISAFNMDWHCKM-ZETCQYMHSA-N	306.334	1.629	50	20	DDGD	
O=C(CC1(N2CCOCC2)CCCC1)NNc1ccccn1	181171732	WZKDHQQDWHZAFR-UHFFFAOYSA-N	304.394	1.560	50	20	DDGD	
COCCn1nc(C)c(NC(=O)NNc2ccccn2)c1C	180829534	MMMJMDCCKALUNC-UHFFFAOYSA-N	304.354	1.690	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNC(=O)c1ccc(Cl)cc1OC	120159001	FLKIXISEMJUAII-AWEZNQCLSA-N	314.769	1.661	50	20	DDGD	
CCC(CC)n1nccc1C(=O)NNC(=O)Cc1cccnc1	123786420	RVUMAVKWCRJOSP-UHFFFAOYSA-N	315.377	1.643	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)CC(F)(F)F)cc1	120079641	INNFLQSJMSNICV-UHFFFAOYSA-N	301.224	1.037	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1ccc(C#N)cc1)c1ccncc1	128036221	MHTXBLITSJJRIY-LBPRGKRZSA-N	308.341	1.908	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)c1cccc(OC(F)F)c1	124751052	GUHZPJKDTHCJHL-SECBINFHSA-N	316.304	1.864	50	20	DDGD	
O=C(CSc1ccncc1)NNC(=O)c1ccc(Cl)nc1	77249063	UXYUKDUECGFSSR-UHFFFAOYSA-N	322.777	1.683	50	20	DDGD	
Cc1nscc1C(=O)NNc1cccc(S(C)(=O)=O)c1	182348554	RNERQSMFALTGPT-UHFFFAOYSA-N	311.388	1.612	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc(COc2ccc(C#N)cc2)o1	76204006	FHIZUSOJBWTKEJ-UHFFFAOYSA-N	314.301	1.304	50	20	DDGD	
Cc1nn(C)c(-n2cccn2)c1C(=O)NNc1ccc(F)cc1	187816586	NUEUFQHZFJGGKH-UHFFFAOYSA-N	314.324	1.810	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C[C@@H]1CCCCO1	86991123	FBYMQHURRWOHRN-RISCZKNCSA-N	324.352	1.700	50	20	DDGD	
CCc1c(C(=O)NNc2ncccn2)cnn1-c1ccccn1	48151553	CGJDNFGODCLINV-UHFFFAOYSA-N	309.333	1.377	50	20	DDGD	
CCc1cccc(NC(=O)C(=O)NNc2cc(C)nc(C)n2)c1	130273974	SPTGTOZYTDDLFZ-UHFFFAOYSA-N	313.361	1.738	50	20	DDGD	
Cc1cc(F)cc(C(=O)NNC(=O)c2c[nH]nc2C)c1[N+](=O)[O-]	131688236	KKTPQBFWPXUKTP-UHFFFAOYSA-N	321.268	1.149	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C[C@H](O)c2cccc(F)c2)n1	89301601	MZUXYHOCZLSLFR-LBPRGKRZSA-N	320.324	1.500	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)CCc2ccccc2)on1	195467470	BUUPLAIVEZOJOS-UHFFFAOYSA-N	302.334	1.446	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1csc(C2CC2)n1	194963384	ULGHDJCTDBZLQX-UHFFFAOYSA-N	308.285	1.527	50	20	DDGD	
CCOC(=O)NNC(=O)c1cccc(Br)c1F	192033774	RXKKBDJHBCOHDG-UHFFFAOYSA-N	305.103	1.979	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C=C1CCC1	86978276	IRBFELGAOBABPZ-UHFFFAOYSA-N	304.346	1.722	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCCc2cccnc2)cc(C#N)n1C	255057002	WJAIJKRTIIVVIW-PXNMLYILSA-N	319.368	1.866	50	20	DDGD	
Cc1ncc(/C=C\C(=O)NNC(=O)c2ccc(Cl)nc2)s1	255886726	CZKFPGHFIWEHMN-HYXAFXHYSA-N	322.777	1.974	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](C)OCc2ccccc2)n1	266928657	NDQPQJXIADSOME-GFCCVEGCSA-N	316.361	1.842	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNc2nccn(C)c2=O)cc1	267243622	SLBSIRRDAIRCAS-UHFFFAOYSA-N	314.345	1.195	50	20	DDGD	
CC(C)n1ccc(C(=O)NNC(=O)COc2ccccc2O)n1	264900722	LLITXOXCXBFNGK-UHFFFAOYSA-N	318.333	1.010	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1	269474510	MMWMVKLKMHKLBQ-IIANPFDCSA-N	309.366	1.556	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC2CCCC2)c2c(C)n[nH]c2n1	263795554	JBNUILANPGPUDS-UHFFFAOYSA-N	316.365	1.461	50	20	DDGD	
Cc1oc(C(=O)O)cc1S(=O)(=O)NNC(=O)CC(C)(C)C	266800701	RUANFWFAVOWVGG-UHFFFAOYSA-N	318.351	1.032	50	20	DDGD	
COC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)c2ccccc2C)C1	266764623	OFVSJTDDHKCWGJ-STQMWFEESA-N	318.373	1.735	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H](C)c1ccc(C)cc1	267164555	JXZRGCNHSBONMY-STQMWFEESA-N	323.393	1.438	50	20	DDGD	
Cc1ccc(C(=O)NCCNC(=O)NNC(=O)CC(C)C)cc1	264861690	PJHNLZVJXZGEOT-UHFFFAOYSA-N	320.393	1.101	50	20	DDGD	
C/C=C(\C)C(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1	269303198	KOSVDBWWYAOHAW-SOFGYWHQSA-N	304.354	1.696	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C[C@@H]2CCc3ccccc3C2)[nH]n1	268807501	GIAMYINBBVKJHU-GFCCVEGCSA-N	312.373	1.674	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)n1	266918914	BPPZWFODNJAHNF-YUSALJHKSA-N	321.381	1.233	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)N[C@@H]1CCSC1	266715753	IVDYVYPGINIPPN-CYBMUJFWSA-N	307.419	1.845	50	20	DDGD	
CCCNC(=O)c1cccc(NC(=O)NNC(=O)C2CC2)c1	274059732	IJTLFPAMVDIIKD-UHFFFAOYSA-N	304.350	1.389	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCO1	271809381	BHDVKNIKJMTXSI-ONGXEEELSA-N	307.306	1.171	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(F)c(O)c(F)c1	273854739	MPBCSANTDGMMHX-UHFFFAOYSA-N	321.374	1.142	50	20	DDGD	
Cc1c(NNC(=O)CCCCc2c[nH]nn2)cccc1[N+](=O)[O-]	274355405	FDVSXPFBVHAWKW-UHFFFAOYSA-N	318.337	1.877	50	20	DDGD	
CC(C)Cn1ncc(C(=O)NNC(=O)C(C)(C)O)c1C(F)F	276180727	CLQYTCPSXBTDDO-UHFFFAOYSA-N	318.324	1.009	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cn1cc(-c2ccccc2)c(C)n1	278494101	WABDSQBFNYMHHG-UHFFFAOYSA-N	315.377	1.551	50	20	DDGD	
CC(C)[C@H]1C[C@@H](CC(=O)NNC(=O)Cc2ccncc2)CCO1	273074127	GCWMXYCNRDFQIN-LSDHHAIUSA-N	319.405	1.613	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H](C(=O)NNc1ncccc1F)C2	367669268	ROTSSMPBHZSPOD-NSHDSACASA-N	317.320	1.924	50	20	DDGD	
O=C(NNC(=O)C1(c2ccc(F)cc2F)CCC1)NC1CC1	271926941	FBQZFKGGBLSQBU-UHFFFAOYSA-N	309.316	1.879	50	20	DDGD	
CC(C)CSCCNC(=O)NNC(=O)Cc1cccnc1	270089321	JTWNPRXPADJXET-UHFFFAOYSA-N	310.423	1.344	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(CN2CCCC2)cc1	274374039	FEQGVXGDUDBGAW-UHFFFAOYSA-N	304.394	1.589	50	20	DDGD	
COC(=O)N(C)NC(=O)CCc1c(C)nc2cc(C)nn2c1C	286563986	ZZRNAIZKSDPJOX-UHFFFAOYSA-N	319.365	1.317	50	20	DDGD	
COC(=O)COCC(=O)NNc1cc(Cl)cc(Cl)c1	288007301	LRQLTWVJRNWNKO-UHFFFAOYSA-N	307.133	1.626	50	20	DDGD	
CC(C)(C)[C@H](NC(N)=O)C(=O)NNc1ccccc1[N+](=O)[O-]	282717165	QBGKJGUUQSVPMJ-SNVBAGLBSA-N	309.326	1.121	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@@H]2CCC2(C)C)c1	286354460	BPRJVURVLBKRKI-CYBMUJFWSA-N	305.378	1.893	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1cnc2c(c1)COCC2	371876789	PKMYQXAXUJIZLI-UHFFFAOYSA-N	306.366	1.743	50	20	DDGD	
C[C@H]1CCC[C@@H]1NCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	281910496	CEIKNHGGMFALTM-GWCFXTLKSA-N	320.349	1.134	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(OC)c(OC(F)F)c1	286360470	MZXQMUABCHKGBR-UHFFFAOYSA-N	304.249	1.640	50	20	DDGD	
CNC(=O)[C@]1(C)CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C1	281710334	HTIMYTPKKVZZQY-HOFZKYPUSA-N	313.357	1.284	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cccc(O)n1	801600391	PXGWFGPFPKPDTA-UHFFFAOYSA-N	310.313	1.272	50	20	DDGD	
Cc1noc(CCCC(=O)NNC(=O)NC2CCCCC2)n1	298857172	OVKFGHCDODTKRP-UHFFFAOYSA-N	309.370	1.364	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	293968335	RRNBXKYKHAWSJE-AUTRQRHGSA-N	308.382	1.235	50	20	DDGD	
CNC(=O)CCCCC(=O)NNC(=O)Nc1ccc(OC)cc1	802061007	PNMPBDIUPIQKTN-UHFFFAOYSA-N	322.365	1.154	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H]2CCC(=O)c3ccccc32)nc1O	806364762	HSLMZVHDGKDIIN-NSHDSACASA-N	313.317	1.089	50	20	DDGD	
CC1(C)CCN(CC(=O)NNC(=O)C2CC2)c2ccccc21	808789792	XJJHMKZSRXTEDU-UHFFFAOYSA-N	301.390	1.732	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H](F)C(F)(F)F)cc1C	809933478	IETROTRPSYFSMW-NSHDSACASA-N	322.258	1.730	50	20	DDGD	
Cc1ccc2c(c1)CC[C@@H]2NC(=O)NNC(=O)[C@H]1CCCCO1	296369566	OIVFCTXITRKNGD-LSDHHAIUSA-N	317.389	1.882	50	20	DDGD	
COc1cnc(NC(=O)NNC(=O)c2ccccc2F)s1	806514721	GTLYYYFTDJCPLO-UHFFFAOYSA-N	310.310	1.757	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	292773487	LKCCCPSHIFOTKG-CABZTGNLSA-N	322.321	1.623	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccncc2C(F)(F)F)O1	293957972	QSWWNEGXEFMZKQ-XVKPBYJWSA-N	317.267	1.429	50	20	DDGD	
CCCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1ccccc1C	298874244	LTEGPONUTZKPDO-CQSZACIVSA-N	317.389	1.547	50	20	DDGD	
CN1[C@H]2CC[C@H]1CC(NC(=O)NNc1cccc([N+](=O)[O-])c1)C2	297357064	CSUCBBADJCLLOC-STQMWFEESA-N	319.365	1.846	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NNc2ccncn2)C1	295617920	ZIRYTKYUUAWTAA-NEPJUHHUSA-N	305.382	1.204	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Nc1ccc(OC)cc1)N(CC)CC	802057031	KJHUDUNHZKUZTQ-AWEZNQCLSA-N	322.409	1.968	50	20	DDGD	
Cc1ccccc1-n1cc(C=NNC(=O)c2cccnc2)nn1	807943955	SYAKJUIVFDUTKL-UHFFFAOYSA-N	306.329	1.735	50	20	DDGD	
Cn1cncc1C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	809559060	YPAHGLMCTPMEJQ-UHFFFAOYSA-N	300.362	1.792	50	20	DDGD	
O=C(CCCc1ccsc1)NNC(=O)N=c1cc[nH]cc1	802033921	UBBWTXFXKCMFLD-UHFFFAOYSA-N	304.375	1.741	50	20	DDGD	
CCCN1CCC[C@H]1CNC(=O)NNC(=O)c1ccccc1O	807549962	MEEJLKOLAJEFMR-LBPRGKRZSA-N	320.393	1.211	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=Cc1cnccn1	807954544	VBLXDCAQQHYXOB-UHFFFAOYSA-N	308.345	1.539	50	20	DDGD	
C[C@H](NC(=O)c1ccoc1)C(=O)NNc1cccc(Cl)n1	817004854	SSFOBGKGNRDDJZ-QMMMGPOBSA-N	308.725	1.590	50	20	DDGD	
O=C(NNC(=O)c1cccnc1F)Nc1ccc2c(c1)OCO2	813575432	UQOSPHVKFFLZMQ-UHFFFAOYSA-N	318.264	1.416	50	20	DDGD	
CCc1cc(NC(=O)NNC(=O)Cc2ccccc2F)nn1C	817335040	WBLJKYXOTVLNBL-UHFFFAOYSA-N	319.340	1.517	50	20	DDGD	
Cn1ncc2ccc(CNC(=O)NNc3ccc(F)cn3)cc21	812916588	QKWVYDGACCNEQB-UHFFFAOYSA-N	314.324	1.934	50	20	DDGD	
COc1cccc2c1OCC(C(=O)NNC(=O)CC1CC1)=C2	819122735	GIAFLQSIMXAHRJ-UHFFFAOYSA-N	302.330	1.419	50	20	DDGD	
O=C(CCCNC(=O)c1ccc(Cl)cc1)NNc1nc[nH]n1	816634155	AESKNIUKOSJGAF-UHFFFAOYSA-N	322.756	1.111	50	20	DDGD	
COc1ccccc1C(=O)NNc1nc(-c2cccnc2)no1	728079015	GUMAEXPXMQMQMJ-UHFFFAOYSA-N	311.301	1.897	50	20	DDGD	
Cn1cc(-c2ncccc2C(=O)NNC(=O)C(C)(C)C)cn1	822244811	OKEATBIBEGRYTN-UHFFFAOYSA-N	301.350	1.289	50	20	DDGD	
O=C(CCCc1nn[nH]n1)NNc1cccc(Cl)c1Cl	823547058	SMRGZMKGNHQGEA-UHFFFAOYSA-N	315.164	1.973	50	20	DDGD	
COC[C@H](C)CNC(=O)NNC(=O)c1cc2c(s1)CCC2	728958457	LULORIVSHBLQSG-SECBINFHSA-N	311.407	1.463	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCCc1ccccc1	825546880	DJKDPPYLTNCWQF-ZFWWWQNUSA-N	319.405	1.765	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C[C@H]1CCC(=O)N1C)c1ccccc1	827185465	TXYXCHSZDNARDJ-ZIAGYGMSSA-N	317.389	1.339	50	20	DDGD	
CCOCC(=O)NN=C1CCC[C@@H]1CNC(=O)OC(C)(C)C	491899161	UWUKNUJQSZTAFD-LLVKDONJSA-N	313.398	1.820	50	20	DDGD	
CC1(C)C(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)C1(C)C	824784175	ODTXEODPTQNPDB-UHFFFAOYSA-N	300.366	1.992	50	20	DDGD	
O=C(NNc1cccc(F)c1)c1ccc(-c2nn[nH]n2)s1	826449166	FGGMBGVBVOEBGP-UHFFFAOYSA-N	304.310	1.824	50	20	DDGD	
COC1(C(=O)NNC(=O)Cc2cc(C)[nH]n2)CCCCCC1	823369279	WKMCVJCFIOMCSI-UHFFFAOYSA-N	308.382	1.147	50	20	DDGD	
C[C@@]1(C(=O)Nc2ccc(-n3nccn3)nc2)C[C@H]1Br	820102864	HBRFRXJDMJWDQJ-BXKDBHETSA-N	322.166	1.774	50	20	DDGD	
Cn1ccnc1[C@H](NS(=O)(=O)CCl)c1ccccc1F	829829332	VSVXJOATZLBPHM-LLVKDONJSA-N	317.773	1.764	50	20	DDGD	
CCN(CCO)NC(=O)Cc1c(C(C)=O)oc2cc(C)ccc12	823884887	NUZXQGCRDUBDRR-UHFFFAOYSA-N	318.373	1.832	50	20	DDGD	
C[C@@H](NNC(=O)CN(C)CCc1ccccc1)C(F)(F)F	824833552	YOOZFVGXUYGZMO-LLVKDONJSA-N	303.328	1.733	50	20	DDGD	
Cc1csc([C@H](C)NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)n1	825885199	JYEGDIMRYDQSAB-GUBZILKMSA-N	312.395	1.268	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)N[C@H]1C=CCC1	821092100	JJWOYFJVERRWFU-PWSUYJOCSA-N	307.325	1.642	50	20	DDGD	
C[C@H](O)C[C@H](CNCc1ccc(B(O)O)cc1)c1ccccc1	585027906	AKXMEXLXPAPEHB-WMLDXEAASA-N	313.206	1.011	50	20	DDGD	
CC[C@@H]1C[C@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCO1	825182921	MMJWNFUMMGQPRT-DGCLKSJQSA-N	316.365	1.515	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1nc2ccccc2nc1C1CC1	823918244	SZEIBVWCHVROKT-SNVBAGLBSA-N	300.362	1.465	50	20	DDGD	
C[C@@H]1CCCN(CCNC(=O)/C(C#N)=C\c2cnn(C)c2)C1	491052207	VFNRIBRQBIAGQO-ATDKOCKZSA-N	301.394	1.175	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1cccc(F)c1F	901967019	WLKGZFIECFCCPH-UHFFFAOYSA-N	302.302	1.078	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCCc2ccc3c(c2)CCO3)cn1	490971295	ISXGVYLDEJLKLK-SXGWCWSVSA-N	322.368	1.621	50	20	DDGD	
C[C@H]1C[C@H](NCc2ccccc2B(O)O)CN1Cc1ccccc1	585028464	KVODVSQYBFSWFL-YJBOKZPZSA-N	324.233	1.119	50	20	DDGD	
CC(C)CCOc1ccc(NC(=O)NNC(=O)C2CCC2)nn1	825520183	VPZADRQDIIEUFF-UHFFFAOYSA-N	321.381	1.854	50	20	DDGD	
CC(C)N1CCC[C@H](CNC(=O)/C(C#N)=C/c2cnn(C)c2)C1	491163697	XRKNFSRJVJSOPQ-OUAKBRRNSA-N	315.421	1.564	50	20	DDGD	
CO[C@H](CNC(=O)[C@]1(C)C[C@H]1Br)C(F)(F)F	906691502	ILIJELGSQKQXOD-ATRFCDNQSA-N	304.106	1.853	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2[C@H]3Cc4cc(F)ccc4[C@H]32)c(F)c1	585050078	QGFRWFBBWIWZMI-USXIJHARSA-N	315.128	1.073	50	20	DDGD	
CC(C)(C)[C@@H](NC(=O)c1ccc(B(O)O)cc1)c1ccccc1	584931639	COFPAYQHYUKDND-INIZCTEOSA-N	311.190	1.884	50	20	DDGD	
COc1cc(OC)c(OC)cc1NCc1ccc(B(O)O)cc1	585016304	LUGODXVDXHDPDZ-UHFFFAOYSA-N	317.150	1.004	50	20	DDGD	
COCCN(C)NC(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C	497132411	NRBPPOGWGGPFFT-QWRGUYRKSA-N	303.403	1.145	50	20	DDGD	
O=C(NC[C@H]1CCC(F)(F)C1)NNC(=O)[C@@H]1CCCCO1	836439556	XXIIIDYRSPHARQ-UWVGGRQHSA-N	305.325	1.321	50	20	DDGD	
CC[C@@H](C)[C@H](C)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	495393728	UEHOJEQUKUEFOL-MNOVXSKESA-N	315.414	1.731	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(-n2nc(C)cc2C)nc1	490556403	PLVNAKWDCJWROI-UHFFFAOYSA-N	303.322	1.275	50	20	DDGD	
CC[C@@H](C)CCC(=O)NNC(=O)CCNC(=O)OC(C)(C)C	497155180	WSCVZILFVZHMKN-LLVKDONJSA-N	315.414	1.875	50	20	DDGD	
Cc1cc(C)n([C@@H](C)CC(=O)NNC(=O)[C@H]2CCCCO2)n1	833254977	APVPRAREAHKJRF-QWHCGFSZSA-N	308.382	1.168	50	20	DDGD	
COC(=O)[C@@](C)(CO)NC(=O)CCCC[C@H]1CCSS1	909580761	QMNXZPGVTZMQKG-GXFFZTMASA-N	321.464	1.741	50	20	DDGD	
C[C@@H](CCCC(F)(F)F)NCc1ccc(B(O)O)cc1F	585038221	WTUIJYZXUMQEAZ-VIFPVBQESA-N	307.096	1.716	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)c(O)c1	839550906	PWAXMBCLLNDYDS-MVWJERBFSA-N	302.330	1.077	50	20	DDGD	
Cc1nnc(NNC(=O)C[C@H]2OCCc3ccccc32)nc1O	734543020	MOAYSAMAPRNYHF-GFCCVEGCSA-N	315.333	1.033	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]1C(=O)O)c1cccc(C(F)(F)F)c1	739454034	NZTTYEMMDSRYRC-DTWKUNHWSA-N	316.235	1.187	50	20	DDGD	
C[C@H](NC(=O)c1ccc(B(O)O)cc1)c1cccc(C2CC2)c1	584994833	OFUXAHDQLUDRQG-LBPRGKRZSA-N	309.174	1.735	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21)c1cc2c(s1)CCC2	905118728	RCZKPEHJJFVJFF-ZEGGKSINSA-N	304.371	1.223	50	20	DDGD	
CCOC(=O)COCCNC(=O)NNc1c(C)cc(C)cc1C	838658356	IYWBZKAJARQCAB-UHFFFAOYSA-N	323.393	1.818	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)c2cccc(Cl)c2)CCOC1	733351536	IOMKRLFKQBCLMO-CQSZACIVSA-N	311.769	1.711	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=C(C)c1cn(C)nn1	834922695	WNVIDJLWLPTEOB-UHFFFAOYSA-N	301.350	1.297	50	20	DDGD	
CO[C@@H](CNCc1ccccc1B(O)O)c1ccccc1Cl	585028945	SUWICBHUPXPVKV-INIZCTEOSA-N	319.597	1.497	50	20	DDGD	
O=C(NCc1ccccc1Cn1ccnc1)NNc1ncccn1	916230993	ZIYNWGICOFDVGH-UHFFFAOYSA-N	323.360	1.548	50	20	DDGD	
CC(C)N(CC(=O)NNc1cccnn1)C(=O)OC(C)(C)C	832043526	HCDXHAIGSGCITO-UHFFFAOYSA-N	309.370	1.565	50	20	DDGD	
Cc1nc2n(n1)C[C@H](NC(=O)NNc1ccc(F)c(F)c1)CC2	916378749	SQVRLJHCNXXACI-SNVBAGLBSA-N	322.319	1.506	50	20	DDGD	
O=C(NNc1cccc(Br)n1)C1CCC(O)CC1	837213480	XXYVEMJNMDTCBY-UHFFFAOYSA-N	314.183	1.838	50	20	DDGD	
CCSc1ccccc1CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	911503478	VGNFRVCDCDJOCJ-YPMHNXCESA-N	322.430	1.914	50	20	DDGD	
N#Cc1ccc(F)c(CNC(=O)NNC(=O)[C@@H]2CCCCO2)c1	836326099	VATHMZBQMDCEGB-ZDUSSCGKSA-N	320.324	1.097	50	20	DDGD	
CCCCCCNC(=O)COC(=O)/C(C#N)=C\c1cnn(C)c1	837969275	KUUVINSJVABOHA-ZSOIEALJSA-N	318.377	1.567	50	20	DDGD	
CC(=NNC(=O)c1ccc(C#N)cc1)c1c(C)nc(O)nc1O	747052906	PHJPMWZYLMDBGU-UHFFFAOYSA-N	311.301	1.222	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](C)c2cnn(C)c2)c1F	837061099	VPBGETKACZCKAM-SECBINFHSA-N	320.324	1.593	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2cccc3cnccc23)c1[N+](=O)[O-]	748773687	XVTILBNPNMXCFB-UHFFFAOYSA-N	312.289	1.931	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](CC(C)C)C(N)=O)c([N+](=O)[O-])c1	839706301	MVUGTZUYJADNDY-JTQLQIEISA-N	324.337	1.194	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCc2cccc(F)n2)c1	747964317	XMUQNRCSEVLJBE-UHFFFAOYSA-N	313.292	1.237	50	20	DDGD	
O=C(NN=Cc1c[nH]c2ccc(F)cc12)[C@@H]1CCS(=O)(=O)C1	747046829	INRPNJZMTKXFPT-SECBINFHSA-N	323.349	1.192	50	20	DDGD	
COc1ccc(OC)c(CNC(=O)NNC(=O)C2CCCC2)c1	916261312	AVWZNHCGRCNHMJ-UHFFFAOYSA-N	321.377	1.724	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)/C=C\c1ccccc1OC(F)(F)F	910169895	HFCDQZBFASZMOA-DMEOUFDRSA-N	318.295	1.942	50	20	DDGD	
O=C(CCCC1CCCCC1)NNC(=O)C(=O)N1CCCC1	748246778	PLAIVZCZTISHTQ-UHFFFAOYSA-N	309.410	1.507	50	20	DDGD	
CCOC(=O)c1c(NC(=O)NN)sc2c1CCSC2	841159683	JNCVFKUGAFNLBG-UHFFFAOYSA-N	301.393	1.709	50	20	DDGD	
O=C(NN=Cc1ccccc1O)c1nnc(O)c2ccccc12	916320001	BXNYBXZSSICEGF-UHFFFAOYSA-N	308.297	1.805	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Nc1ccccc1)C(=O)OC(C)(C)C	840445223	OVDWSWMODZDZMA-SNVBAGLBSA-N	307.350	1.817	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H]1CS[C@@H](C)C1	840418994	NHRJTWQOWAXPQX-VHSXEESVSA-N	309.391	1.533	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@H]2CCN[C@H](C)C2)c(F)c1	841990289	ZDVMOWYCUWJXFQ-KOLCDFICSA-N	324.356	1.379	50	20	DDGD	
CCc1onc(-c2ccccc2)c1C(=O)NN(C)C[C@@H](C)O	910151012	YFIXIPQKRYVLDN-LLVKDONJSA-N	303.362	1.861	50	20	DDGD	
CCc1c(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cnn1CC(C)C	843663926	ZNOBSKFKQXZDHM-VXGBXAGGSA-N	322.409	1.288	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NNc2cc(O)nc3ncccc23)O1	913989604	KDGPTSTUMISWIT-JRKPZEMJSA-N	302.334	1.592	50	20	DDGD	
Cn1nc(C2CC2)nc1CC(=O)NNc1ccccc1[N+](=O)[O-]	843749729	BVWVOYUULNRPMQ-UHFFFAOYSA-N	316.321	1.287	50	20	DDGD	
O=C(NNC(=S)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1	840775037	PPMVGDIFCNQLFJ-NSHDSACASA-N	324.362	1.482	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1ccc2c(c1)CC(=O)N2	915958460	GAWQJGYSQLUVLC-UHFFFAOYSA-N	311.345	1.296	50	20	DDGD	
CCOCCONC(=O)NNc1ncnc(Cl)c1C(C)C	840350018	LFEYIPGEDSVDTQ-UHFFFAOYSA-N	317.777	1.848	50	20	DDGD	
COc1cc(C(=O)NN=Cc2ccnn2C)cc(OC)c1OC	914554760	QLPRXSFPIVOQOK-UHFFFAOYSA-N	318.333	1.210	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)NNc1ncnc(Cl)c1C(C)C	840549016	OUJWCIGDTOTAJD-UHFFFAOYSA-N	313.789	1.611	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)CCc1ccccc1)[C@@H]1CCCNC1	841925586	AERXPLVUVSEUEM-UKRRQHHQSA-N	318.421	1.338	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1c(F)cc(F)cc1F	843651433	MSDZPECYFPPEDA-XPUUQOCRSA-N	302.252	1.290	50	20	DDGD	
COc1cccc(F)c1C(C)=NNC(=O)Cc1cc(C)[nH]n1	741807311	YVCIMUVDMWLMQE-UHFFFAOYSA-N	304.325	1.949	50	20	DDGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)c1ccon1	747144434	DOAIHGKJDMPGQX-UHFFFAOYSA-N	311.750	1.881	50	20	DDGD	
N[C@@H](CNC(=O)NNc1ccc(OC(F)F)cc1)C1CC1	841966764	YXGXZRDFNWRUON-NSHDSACASA-N	300.309	1.651	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)c1ccc[nH]1)C(=O)OC(C)(C)C	843757448	UDYMNFPMZJFSPW-LLVKDONJSA-N	309.366	1.390	50	20	DDGD	
CCOc1ccc(CNC(=O)NNC(=O)CC(F)(F)F)cc1	920342758	FYSJRBWOZBQUEL-UHFFFAOYSA-N	319.283	1.868	50	20	DDGD	
CC[C@@H]1CN(CC(=O)NNC(=O)c2ccc(C)cc2)[C@@H](C)CO1	844389972	BPLUZSFGNATAGI-DZGCQCFKSA-N	319.405	1.255	50	20	DDGD	
CC1(NC(=S)NNC(=O)COc2ccccc2F)CCC1	840704212	QVTMZOHMVWMZSU-UHFFFAOYSA-N	311.382	1.642	50	20	DDGD	
CC(C)CS(=O)(=O)CCC(=O)NNc1ccnc(Cl)c1	855468828	JGTLDJAAHXRIKZ-UHFFFAOYSA-N	319.814	1.639	50	20	DDGD	
CC[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(C)=O	929181682	FINJYLYNLNNXKA-MWLCHTKSSA-N	301.387	1.483	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)[C@@H]1CCCN1c1ncccn1	855469175	VZAWTUCIBVLTMV-NSHDSACASA-N	318.768	1.637	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@]2(C3CCCC3)CCNC2=O)o1	859953886	BIUKORVKZPGFBF-INIZCTEOSA-N	319.361	1.046	50	20	DDGD	
Cc1nn(C)cc1C=NNC(=O)CCCNC(=O)C(C)(C)C	853407424	ORXFCVJSTXRPLZ-UHFFFAOYSA-N	307.398	1.121	50	20	DDGD	
CN1CCC(NC(=O)NC[C@@]2(C)C[C@@H]2Br)CC1	856830142	GQPLMMLBEUBQAV-CMPLNLGQSA-N	304.232	1.553	50	20	DDGD	
Cn1nc(C2CC2)cc1C(=O)NNC(=O)Cc1ccc(F)cc1	929331510	UAYJXHKYAVUDTB-UHFFFAOYSA-N	316.336	1.440	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCC(c2cccc(F)c2)CC1	752327767	MZOMZMCOJXOLDX-GFCCVEGCSA-N	321.396	1.951	50	20	DDGD	
C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NNc1cc(F)ccc1F	924043458	JJUJRZMGIQALKV-HQJQHLMTSA-N	319.333	1.024	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)c2ccc[nH]2)C[C@H]1Br	856951191	QPRMNPSVXBGOIW-LDYMZIIASA-N	315.171	1.132	50	20	DDGD	
COc1c(NC(=O)NNC(=O)C2CCCC2)cccc1C(N)=O	757995379	XKHLBSWZFHYOIT-UHFFFAOYSA-N	320.349	1.137	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)N[C@@H]1CCc2c[nH]nc2C1	758905598	HBZUWLGQUAYLLQ-SECBINFHSA-N	306.757	1.642	50	20	DDGD	
Cn1cc2c(n1)CCC[C@@H]2C(=O)NNC(=O)OCC(F)(F)F	856020770	SWMXLFARPHJOIM-ZETCQYMHSA-N	320.271	1.160	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H]1CCC(C)(C)C1	854283556	AEPBSRYCZARCOQ-LLVKDONJSA-N	301.456	1.687	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@H]1C[C@@H]2CCCCN2C1=O	854128299	DGMOAQWCGYQBED-JSGCOSHPSA-N	320.368	1.914	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)c1cc(F)ccc1O	751068892	YOXNNNABCWRBSF-UHFFFAOYSA-N	320.276	1.077	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2cnn(CCF)c2)ccc1C	857266495	BFUSZTWPCSJFSW-UHFFFAOYSA-N	320.324	1.705	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)c1cncc(F)c1	759111897	GBXCXNNYWQJARR-UHFFFAOYSA-N	313.292	1.032	50	20	DDGD	
O=C(NCCc1ccc(F)c(F)c1F)NNc1ncccn1	753281847	GRYDGLKUDLMEDP-UHFFFAOYSA-N	311.267	1.763	50	20	DDGD	
C[C@H]1CN(C(=O)NC[C@]2(C)C[C@H]2Br)C[C@@H](C)N1C	856897960	USZNOXMAYHYKMC-XZUYRWCXSA-N	318.259	1.894	50	20	DDGD	
CCOCCOCCCC(=O)NNc1ncc(Cl)cn1	857354120	NIVVAHOEBJJGMY-UHFFFAOYSA-N	302.762	1.406	50	20	DDGD	
CC(C)=C(C)C(=O)NNC(=O)c1cc(Br)c[nH]1	751198958	OYUTXHAUMHPGNZ-UHFFFAOYSA-N	300.156	1.895	50	20	DDGD	
C[C@]1(CNC(=O)NOC[C@H]2CCOC2)C[C@H]1Br	856851366	FEURTQHRBBPGKZ-IQJOONFLSA-N	307.188	1.427	50	20	DDGD	
COc1ccc(F)cc1C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	853390470	YRMDRRMVEZHMAU-HIFRSBDPSA-N	321.352	1.148	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H](C)C(F)(F)F	854282877	YAQSLAMKVRHAFN-SSDOTTSWSA-N	301.334	1.059	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)c1ccc(C)o1	750946072	XEWZQAPSDOXUEU-UHFFFAOYSA-N	305.359	1.920	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1ccc(F)cc1F	758387997	TYWWCELIOBYHJL-UHFFFAOYSA-N	318.283	1.839	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCC[C@]1(O)CCCOC1	867466604	XOQCWGDCCDHOTH-GFCCVEGCSA-N	313.847	1.102	50	20	DDGD	
Cn1c(CNS(=O)(=O)CC(C)(C)CCl)nnc1C1CC1	867079755	WSNYZMXMGQUWMT-UHFFFAOYSA-N	320.846	1.377	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)NCC2CC2)CCOc2ccccc21	930734995	UQWOAZSKXMTFEM-INIZCTEOSA-N	303.362	1.467	50	20	DDGD	
C[C@H]1CSC(SCC(=O)NNC(=O)c2cccs2)=N1	766298320	NHNYMRCUDDZSTO-ZETCQYMHSA-N	315.445	1.734	50	20	DDGD	
O=C(NNc1cnccn1)Nc1nnc(-c2ccco2)s1	769973870	KBFJYPJSBOXQHG-UHFFFAOYSA-N	303.307	1.737	50	20	DDGD	
O=C1CSc2ccc(C(=O)NNc3ncc(F)cn3)cc2N1	760921199	SKIWFOFEQVCKRB-UHFFFAOYSA-N	319.321	1.417	50	20	DDGD	
Cn1nc(C2CCOCC2)cc1NC(=O)NNc1ccccn1	861517486	LKOAANPXYHDQQC-UHFFFAOYSA-N	316.365	1.858	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	766639437	CDALSUXSNSELKN-BDAKNGLRSA-N	315.295	1.948	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H](C)c1ccccc1C	935196933	YDZZTFQPIMWSCG-NSHDSACASA-N	311.476	1.957	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NN=C1CCN2CCC[C@H]12	765562429	HDVPAZSZSQBGES-SMDDNHRTSA-N	305.353	1.933	50	20	DDGD	
C[C@H](NNC(=O)Cn1cc(Br)cn1)C(F)(F)F	862310493	YJTWOGXFOYUZIU-YFKPBYRVSA-N	315.093	1.217	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccnn1C	765995656	WYSNQHCNXFOKNY-LLVKDONJSA-N	304.325	1.867	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNC(=O)c1cc(C)cs1)C1CCCC1	862475328	HEVLXIZXVJLHGZ-ZDUSSCGKSA-N	323.418	1.512	50	20	DDGD	
CCCN1CCC[C@@H]1C(=O)NNCC(F)(F)C(F)(F)F	863094748	QSHNMNLMINNXIG-MRVPVSSYSA-N	303.275	1.679	50	20	DDGD	
Cc1ccc(C=NNC(=O)Cc2cc(O)nc(O)n2)cc1Cl	766455241	OALDEXOPHIBWBZ-UHFFFAOYSA-N	320.736	1.542	50	20	DDGD	
CC(C)[C@H](NC=O)C(=O)OC[C@@H](CBr)C1CC1	860381969	LMGPVCZGAMAGAE-MNOVXSKESA-N	306.200	1.721	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2ccn(CC(F)F)n2)c1	862479505	QNXWNVCSLDMJTC-UHFFFAOYSA-N	314.317	1.593	50	20	DDGD	
COc1cccc([C@H](OC)C(=O)NN[C@H](C)C(F)(F)F)c1	862321544	BADOTUPBRKSSCR-KCJUWKMLSA-N	306.284	1.954	50	20	DDGD	
O=C(NN=C1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1cn[nH]c1	863155120	XQGYPZBNTKHNJD-NSHDSACASA-N	317.309	1.416	50	20	DDGD	
O=C(CCN1CCOC1=O)NNc1cccc(F)c1Cl	862506243	QEYNRCBTADOQPS-UHFFFAOYSA-N	301.705	1.765	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2CCCC2)c(Cl)c1	764078006	WQXJUFGASAZUHQ-UHFFFAOYSA-N	323.780	1.925	50	20	DDGD	
COc1nccnc1NNC(=O)c1c[nH]nc1-c1ccncc1	764481999	QFLVZCGCQKWJDY-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
COCCOc1ccccc1N1CCN(C(=O)CCl)CC1	1116438427	PUVUAUZFOZKAEM-UHFFFAOYSA-N	312.797	1.599	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccc2c(c1)OCO2)c1ccccc1	771854516	TVNZVUYAIBCXPQ-NSHDSACASA-N	312.325	1.980	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@](C)(OC)C1CC1	873770399	KPCAFJJAYJGKHH-HNNXBMFYSA-N	323.418	1.828	50	20	DDGD	
CN1CCCC[C@@H](C(=O)NNc2cnnc3ccccc23)C1=O	878848911	FGXBEYNEXCDVME-LBPRGKRZSA-N	313.361	1.331	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1ccccc1F	771886934	GOILGXKRXXPJGO-LLVKDONJSA-N	324.352	1.493	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc(OCC2CC2)cc1	872401241	MCQLPCHGSBCXOZ-UHFFFAOYSA-N	306.362	1.589	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc(SC)cn2)n1	775753209	FVPYHROEUVYAIO-UHFFFAOYSA-N	306.351	1.751	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCc1cccc(C)c1	771914972	VGBIYECWIPVAAQ-GFCCVEGCSA-N	306.362	1.417	50	20	DDGD	
CCCN1CCCC[C@@H]1C(=O)NNc1nc(C)cc(OC)n1	1116180857	WSCGLGMZECHCQK-GFCCVEGCSA-N	307.398	1.501	50	20	DDGD	
CCc1nnc(-c2ccc(NC(=O)NN(C)CCOC)cc2)o1	878842343	PMDIMYWOPNCBEU-UHFFFAOYSA-N	319.365	1.914	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)CN2CCCC2)cc1	874952797	HSIUESAGDRCLBY-UHFFFAOYSA-N	321.450	1.166	50	20	DDGD	
O=C(NN=Cc1nncn1Cc1ccccc1)[C@@H]1CCCCO1	872380517	KDUMNGNLSZKLER-AWEZNQCLSA-N	313.361	1.346	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1ccc(N(C)C)c(F)c1	873803426	GKGSPLFKNMLBNF-UHFFFAOYSA-N	324.356	1.024	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H](C(C)C)C2)cc1	1119740813	AEUJFBKBLOIBJG-DZGCQCFKSA-N	320.389	1.907	50	20	DDGD	
CC(=NNC(=O)c1nnc(O)c2ccccc12)[C@@H]1CCCOC1	779760504	SWLKJOQPTDWINT-LLVKDONJSA-N	314.345	1.868	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CO[C@H]2CCOC2)c(C)c1	1119093278	QIHRTOBHZWEFIH-LBPRGKRZSA-N	323.418	1.427	50	20	DDGD	
CN(CC(=O)NNc1cnc2ccccc2n1)[C@@H]1CCSC1	774776040	PRSSBGJJEQPMKR-LLVKDONJSA-N	317.418	1.510	50	20	DDGD	
COC(=O)c1cncc(C(=O)NNc2nccnc2C(C)C)c1	772889978	GSJUDXBFJUPQRV-UHFFFAOYSA-N	315.333	1.539	50	20	DDGD	
Cc1cc(C)n(CCC(=O)NNc2cnc3ccccc3n2)n1	774774071	LVQJMVGSNDNBKX-UHFFFAOYSA-N	310.361	1.977	50	20	DDGD	
C[C@H](NCC(=O)NNC(=O)C1CC1)C(C)(C)c1ccccc1	775322588	WJAQJMKLZZTCSX-LBPRGKRZSA-N	303.406	1.500	50	20	DDGD	
Cn1nc2c(c1NC(=O)NNc1ncncc1Cl)CCCC2	880621030	WGCSYCMHTWSDPO-UHFFFAOYSA-N	321.772	1.891	50	20	DDGD	
O=C(NNc1cccc(Br)c1)C1(O)CCOCC1	773455324	MPVBPFGHMDGDCM-UHFFFAOYSA-N	315.167	1.434	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1ccn(CC(C)C)n1	889539296	GHSSZOUUALAUQQ-UHFFFAOYSA-N	314.389	1.851	50	20	DDGD	
CC1(C)C[C@@H](NC(=O)NNc2ccc(C#N)cn2)C(C)(C)O1	888762973	LGZPLTIIAYQHRH-LLVKDONJSA-N	303.366	1.925	50	20	DDGD	
CSc1ccccc1CC(=O)NNC(=O)c1ccccn1	776968490	RYHVTFKONZIOSB-UHFFFAOYSA-N	301.371	1.807	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C	887142792	ADIVRUKFAPZAEK-CYBMUJFWSA-N	321.421	1.365	50	20	DDGD	
CC(C)n1nccc1NC(=O)C(=O)NNc1ccc(Cl)nc1	784869755	JPRIZSHIBABXTO-UHFFFAOYSA-N	322.756	1.594	50	20	DDGD	
C=C[C@H]1CCCCN1CC(=O)NNC(=O)c1cccc(C)c1	785997714	RAPQGLDRGLUHAK-HNNXBMFYSA-N	301.390	1.797	50	20	DDGD	
O=C(COc1cccc(Cl)c1)NNC(=O)C1CCOCC1	883059460	YEXAFDPGGGHNBL-UHFFFAOYSA-N	312.753	1.293	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@]1(C)CC(C)(C)OC1=O	882224112	VBPWPNAZVUZFKS-LBPRGKRZSA-N	311.831	1.655	50	20	DDGD	
O=C(NC[C@H]1CCCC(F)(F)C1)NNC(=O)c1cccnn1	883626967	NLRYSJJXPNSVJV-VIFPVBQESA-N	313.308	1.246	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2cccnn2)Cc2ccccc21	883853234	GKBGPJLIEKJKCG-LLVKDONJSA-N	311.345	1.450	50	20	DDGD	
CCc1ocnc1C(=O)NNc1nnc(-c2ccccn2)s1	788557971	CPZXNZKNDBBDND-UHFFFAOYSA-N	316.346	1.907	50	20	DDGD	
COc1ccc(C(=O)NNc2cccnn2)nc1Br	782117630	MEQSUNBEMREJLA-UHFFFAOYSA-N	324.138	1.400	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)CNC(=O)N1CCCC1	898699459	ASJYPIBDWJOIDC-UHFFFAOYSA-N	310.329	1.083	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)[C@@H]1CCC=CO1	788566752	FUJZGRBUYCAORY-JTQLQIEISA-N	303.347	1.736	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@@H](C)CN2CCC(C)CC2)cn1	780200852	NBUDSEIXCSOFJJ-AWEZNQCLSA-N	318.421	1.908	50	20	DDGD	
COC1(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)CCOCC1	787459095	SQLHOBHQXMBAFR-UVTDQMKNSA-N	316.357	1.611	50	20	DDGD	
O=C(NNS(=O)(=O)c1cccc(C(F)F)c1)C1CCC1	780389667	GJIVIVKFDLOPRP-UHFFFAOYSA-N	304.318	1.734	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@@H]2CC[C@@H](C)C2)c1	780799314	GSSBYDUUFAMXMD-CHWSQXEVSA-N	305.378	1.893	50	20	DDGD	
CCOc1cccc(/C=C/C(=O)NNC(=O)C2CCOCC2)c1	894100636	DELNSPKXCNBHOS-VOTSOKGWSA-N	318.373	1.673	50	20	DDGD	
CC[C@H](C)CC[C@@H](O)CC(=O)NNC(=O)Cc1cccnc1	793422649	BVHVMVQUBZIBIE-GXTWGEPZSA-N	307.394	1.349	50	20	DDGD	
Cn1ncc(C2CCC2)c1C(=O)NNc1ccc(Cl)nn1	896439364	RSIJFQFSDNVZJU-UHFFFAOYSA-N	306.757	1.888	50	20	DDGD	
COC(=O)c1ccc(/C=C(/C#N)C(=O)[C@@H]2CCCOC2)n1C	899372345	NYLCQHJPXSDSQI-HQQGHWSLSA-N	302.330	1.714	50	20	DDGD	
CSc1ccc([C@@H](C)NCC(=O)NNC(=O)C2CC2)cc1	799198498	GKNAIILMCPXYBO-SNVBAGLBSA-N	307.419	1.617	50	20	DDGD	
O=C(O)Cn1cc(C=NNC(=O)[C@H]2CCOC2)c2ccccc21	799886092	JMDRBOWUSCSLDC-NSHDSACASA-N	315.329	1.213	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccn(C)n2)c2ccccc2n1	799010725	NZNIGLYJWHDCLR-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(C(=O)OC)cc1N(C)C	792416747	ZNURFDXZPJSBJB-UHFFFAOYSA-N	308.338	1.102	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1cccc(N2CCC2=O)c1	794889100	UBRXMAJLPQWJOM-UHFFFAOYSA-N	309.329	1.367	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc2ccccc2c(=O)o1	797712265	XKOVXHZLFZGXMY-UHFFFAOYSA-N	303.318	1.537	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C	792778948	VMVNFDKLQRBXJA-SECBINFHSA-N	315.370	1.409	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C[C@H](C)NC(=O)OC(C)(C)C)n1	799108432	WVDKGJWVLOVJEI-NSHDSACASA-N	323.397	1.515	50	20	DDGD	
Cc1noc(C2CC2)c1C(=O)NNC(=O)NCC(F)(F)F	798314958	IPYSXUDCCHBRGU-UHFFFAOYSA-N	306.244	1.367	50	20	DDGD	
CSSCCNC(=O)Cn1cnc2sccc2c1=O	791100869	WXGQDCMMDFLXEN-UHFFFAOYSA-N	315.445	1.585	50	20	DDGD	
O=C(NNc1ncccc1Cl)C(=O)Nc1cccc(F)n1	793018193	ONTNWXBYWXROLJ-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)c2[nH]ccc2C)cc1	797908294	CQOQWWYZIFGBRX-UHFFFAOYSA-N	315.329	1.250	50	20	DDGD	
CC(C)(C)n1cc(C=NNC(=O)COCc2ccccc2)nn1	790168667	YSQANTMACLXSNG-UHFFFAOYSA-N	315.377	1.700	50	20	DDGD	
C[C@H]1CCC[C@@H](OCC(=O)NNC(=O)NCC(F)(F)F)C1	798314012	SMEDHAOZETWDRR-DTWKUNHWSA-N	311.304	1.474	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2ncc(Cl)n2C)cc1	799468409	IXFYYNJIGIBNLD-UHFFFAOYSA-N	322.752	1.611	50	20	DDGD	
CC(=O)Nc1ccc(CNS(=O)(=O)CCCCl)cc1	36881712	ILFZFFNLGUJTSB-UHFFFAOYSA-N	304.799	1.693	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H]2CCCC[C@@H]2C1	1318507821	RSIYGLQGCMGLCE-LSDHHAIUSA-N	316.405	1.877	50	20	DDGD	
COc1cc(O)ccc1C=NNC(=O)CNC(=O)OC(C)(C)C	1319882435	YPHOWHGKRPTZCD-UHFFFAOYSA-N	323.349	1.376	50	20	DDGD	
CCCCNS(=O)(=O)c1cccc(NC(=O)CCl)c1	1319784516	GTPPDRMTRHQTJT-UHFFFAOYSA-N	304.799	1.942	50	20	DDGD	
CN(CCOCc1ccccc1)S(=O)(=O)CBr	272799920	LAOGGIACBJFVNZ-UHFFFAOYSA-N	322.224	1.817	50	20	DDGD	
CC(C)CC1(CNC(=O)NNC(=O)C2CCNCC2)CCC1	1325682033	XIMWGMRXWXFULJ-UHFFFAOYSA-N	310.442	1.533	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1nncc(N)c1Cl)c1cccnc1	1321603069	HCCDAMWRNDVADA-NSHDSACASA-N	320.784	1.990	50	20	DDGD	
CCn1nc(C(C)C)cc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	1326648671	SYLUQJDJZQCMDC-QWRGUYRKSA-N	308.382	1.212	50	20	DDGD	
C[N+](C)(C)CC(=O)NN=C1CC2(CCC2)Oc2ccccc21	1325012946	VXIRHIZMNJVDCD-UHFFFAOYSA-O	302.398	1.918	50	20	DDGD	
COc1ccc(C(=O)NN=C2CCCC[C@@H]2S(C)(=O)=O)cc1	1329395914	CURZGOQAQWWFAG-AWEZNQCLSA-N	324.402	1.768	50	20	DDGD	
C[S@](=O)CCCNC(=O)NC[C@]1(C)C[C@H]1Br	1339770588	BQMKAHANFVUSSB-DRGRQASISA-N	311.245	1.228	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1	1331498845	OXBCSVRSSNRGMF-PUHVVEEASA-N	306.362	1.516	50	20	DDGD	
C#CCCCCNC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1331076037	ADFBZMXWWOYHFM-ZWNOBZJWSA-N	315.211	1.196	50	20	DDGD	
CC(C)CC1(C)CCN(C(=O)NNC(=O)c2cn[nH]c2)CC1	1334931334	RHBJRWYBOKPVLE-UHFFFAOYSA-N	307.398	1.912	50	20	DDGD	
CC(C)[C@H](CO)NC(=O)NNC(=O)c1cccc2ccccc12	1341567710	SCWBZHDUQVOQKL-HNNXBMFYSA-N	315.373	1.801	50	20	DDGD	
O=C(COCc1ccncc1)NNC(=O)NC1CCCCC1	1347467599	NPGHOJHBYMUZSJ-UHFFFAOYSA-N	306.366	1.261	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@H]2CCCC[C@H]2C1	1261454838	SPLKVPLDVOPNEX-CRWXNKLISA-N	309.410	1.664	50	20	DDGD	
O=C(CCCOc1ccc2c(c1)OCO2)NNc1ccncn1	1347884951	MDPWVCZNAICHCI-UHFFFAOYSA-N	316.317	1.508	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2ccccc2C(=O)O)n1	1607839709	UIVUFEOVDIPVGB-UHFFFAOYSA-N	313.313	1.092	50	20	DDGD	
N[C@H]1CCC[C@H](NC(=O)NNc2ccc(C(=O)O)c(F)c2)C1	1608252218	FDHCUAOQVIAEDX-IUCAKERBSA-N	310.329	1.420	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2ccc(-c3cn[nH]c3)cn2)c1	1602450448	VYGGXEALLJLISU-UHFFFAOYSA-N	323.312	1.927	50	20	DDGD	
CC(C)(C(=O)NN=Cc1cc(C(=O)O)no1)c1ccccc1	1603237812	FINPLLDBSZUHKJ-UHFFFAOYSA-N	301.302	1.801	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)C23CCCN(CCC2)C3)c1F	1602448454	OCTIXMKRMBTBFV-UHFFFAOYSA-N	321.352	1.843	50	20	DDGD	
O=C(O)CCc1ccccc1C(=O)NNc1cccc(F)n1	1608740757	RVPIVLDURXCEAP-UHFFFAOYSA-N	303.293	1.995	50	20	DDGD	
CCn1cc(C(=O)NNc2cccc(C(=O)O)c2C)c(C)n1	1605917265	MJPRLBXJVOFDEZ-UHFFFAOYSA-N	302.334	1.975	50	20	DDGD	
O=Cc1cccc(OCC(=O)NNc2ncccc2C(=O)O)c1	1606567846	MEPDZFJLEQCCHX-UHFFFAOYSA-N	315.285	1.114	50	20	DDGD	
NC[C@H]1CCCC[C@H]1NC(=O)NNc1ccc(C(=O)O)cc1F	1601187472	SKMZWXQLLYJLOQ-ZYHUDNBSSA-N	324.356	1.668	50	20	DDGD	
Cc1cc(C=NNC(=O)c2ccnc(N(C)C)c2)[nH]c1C(=O)O	1610459653	PJSVVZGLJMZMDZ-UHFFFAOYSA-N	315.333	1.246	50	20	DDGD	
C[C@@H]1OCCC1=NNC(=O)[C@H]1CCCO[C@@H]1c1ccnn1C	1549320248	NHGBXZDUEWBSMA-MJVIPROJSA-N	306.366	1.169	50	20	DDGD	
Cn1cccc1C(=O)NN=C[C@@H]1CCCO[C@@H]1c1ccnn1C	1552454726	VFOJWLNRDAAWQO-WFASDCNBSA-N	315.377	1.642	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@@H]2C=NNC(=O)c2ncccn2)cn1	1552454972	SWCBKVUSOAPSNV-DGCLKSJQSA-N	314.349	1.094	50	20	DDGD	
CN(Cc1ccccc1)C[C@@H](N)C(=O)NNc1cccc(F)c1	1578493771	NNIPIAWAVKIHNU-MRXNPFEDSA-N	316.380	1.728	50	20	DDGD	
Cc1cccc(NNC(=O)C2=NO[C@@]3(CCCNC3)C2)c1Cl	1579772315	VZUGBXQEWUEOCE-HNNXBMFYSA-N	322.796	1.990	50	20	DDGD	
CC[C@H](C)C[C@@H](N)C(=O)NNC(=O)c1c(C)nc2ccccn12	1576984285	WWVPKDZLONTLLQ-CMPLNLGQSA-N	317.393	1.167	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)c1ccncc1	1588998411	ALTXNNYPRWAUKK-JTQLQIEISA-N	309.333	1.509	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CCCC(=O)O)c1	1588524671	QDDDMMGAJRCCDM-UHFFFAOYSA-N	305.359	1.240	50	20	DDGD	
CC(=O)N[C@@](C)(C(=O)NNc1cccc(C(=O)O)c1)C(C)C	1589104774	YZDGDIMSECMORV-OAHLLOKOSA-N	307.350	1.379	50	20	DDGD	
Cn1cccc1C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1592581040	GDTLKVSAKYEOLF-UHFFFAOYSA-N	317.740	1.616	50	20	DDGD	
O=C(NNc1ncccc1F)c1ccc(-c2nn[nH]n2)cc1F	1593167993	UCKYJMDAHYFVHW-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
CC(C)OCCCNC(=O)/C(C#N)=C\c1cc(C(=O)O)n(C)c1	1591722684	IZBFATKPHXUCBQ-QPEQYQDCSA-N	319.361	1.562	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1F)c1ccc(C(=O)O)nc1	1594779812	FUWKJFSLBIQRKH-UHFFFAOYSA-N	311.219	1.954	50	20	DDGD	
O=C(NNc1ncncc1Cl)Nc1cccc(C(=O)O)c1	1594781176	INXVFJKBPIHVQA-UHFFFAOYSA-N	307.697	1.977	50	20	DDGD	
CO[C@@](C)(C(=O)O)C(=O)NNc1cc(C(F)(F)F)ccc1F	1593927312	XRRWEDQOLLWEAA-LLVKDONJSA-N	324.230	1.777	50	20	DDGD	
O=C(O)CCC(Cc1ccccc1)=NNC(=O)c1ccnnc1	1594999963	HARBHLMASLXCFX-UHFFFAOYSA-N	312.329	1.670	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2ccc(C(=O)O)cn2)CC1	1594418475	CEHMXJNNAGOEAP-UHFFFAOYSA-N	318.377	1.352	50	20	DDGD	
CC1(C)SC[C@H]1NC(=O)NNc1cccc(-c2nn[nH]n2)c1	1590116852	GFHPNNHPDPMPER-SNVBAGLBSA-N	319.394	1.387	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1ccc(OC)c(C(=O)O)c1	1776117713	GFRSARFIZKVDJI-YRNVUSSQSA-N	304.302	1.063	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCCO1)[C@@H](F)Cl	1796340721	PIURYBAFYJNTMI-IYKVGLELSA-N	318.776	1.338	50	20	DDGD	
O=C(CN1CCSC1=O)NNC(=O)c1ccc(Cl)cc1	15423935	RRQSMKRGNGJQJC-UHFFFAOYSA-N	313.766	1.270	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cccnc2Cl)cc1	15980528	ORVDEMITHWKQFY-UHFFFAOYSA-N	319.748	1.883	50	20	DDGD	
O=C(Cc1c(F)cccc1Cl)NNC(=O)c1ccccn1	17328926	MTBXKRORXORCTK-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
CCNc1nc(C(=O)NNC(=O)c2ccccc2O)cs1	160429632	YCJTYQSGQDEUAW-UHFFFAOYSA-N	306.347	1.355	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCC(=O)c2ccc(C)s2)[nH]n1	153175555	IJDBYDJYVZKCFT-UHFFFAOYSA-N	320.374	1.512	50	20	DDGD	
COc1ccc(NNC(=O)COCC(F)(F)F)c([N+](=O)[O-])c1	155298748	OKXXIHLZUABHEN-UHFFFAOYSA-N	323.227	1.625	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNc1cccc(C(F)(F)F)n1	155942879	COPWRWPQEOEINX-UHFFFAOYSA-N	318.299	1.706	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Cc1c(F)cccc1F	154730172	HQZRWGAODCFAQW-UHFFFAOYSA-N	305.284	1.292	50	20	DDGD	
CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(CCCl)cc1	36900410	NNZOZXDRKPHSNR-JTQLQIEISA-N	318.826	1.271	50	20	DDGD	
CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCC(Cl)Cl	868327553	GXJSUDRUAZYASM-SSDOTTSWSA-N	315.197	1.182	50	20	DDGD	
CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCC(Cl)Cl	868327554	GXJSUDRUAZYASM-ZETCQYMHSA-N	315.197	1.182	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)c2cccc(C#N)c2)n(C)c1	103437105	XTJWVUPWLDVFTB-UHFFFAOYSA-N	310.313	1.174	50	20	DDGD	
Cc1cc(C)c(C(=O)NNc2nc3ccccc3c(=O)n2C)o1	176677837	ZJAXZZZFGVRLDV-UHFFFAOYSA-N	312.329	1.900	50	20	DDGD	
CNC(=O)NNC(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C	56376940	YATVTQIFSKWYAW-UHFFFAOYSA-N	319.340	1.131	50	20	DDGD	
C=C(C)CN1CCC(NC(=O)NNc2nc(C)cc(C)n2)CC1	106275328	XFORPLLLEQFVFA-UHFFFAOYSA-N	318.425	1.760	50	20	DDGD	
Cc1nn(-c2ccccc2)cc1C(=O)NNC(=O)C(C)(C)C	102332898	IJHPTPTXPVRORI-UHFFFAOYSA-N	300.362	1.988	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc21)NC1CCCCC1	172011223	BTOLEPNFTGMEFB-CYBMUJFWSA-N	303.362	1.826	50	20	DDGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](OCCO)C1	177181373	MPXQBEDZYSBKJN-XDMSJONFSA-N	317.345	1.933	50	20	DDGD	
Cc1nnc(NNC(=O)c2cccc(Cl)c2Cl)nc1O	29066791	UYWXCPHROFVRAD-UHFFFAOYSA-N	314.132	1.949	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc3nccn3c2)nc1	179792077	JSGXTGSYIGVAPV-UHFFFAOYSA-N	311.301	1.273	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@H](C)C2)ncn1	172275665	ZHUQBCVYJGUAMJ-GUTXKFCHSA-N	321.425	1.362	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1ccc([N+](=O)[O-])o1	65204362	HPWZGESFXRYXQW-UHFFFAOYSA-N	324.318	1.436	50	20	DDGD	
COc1cccc(CC(=O)NNC(=O)NCC(F)(F)F)c1	60414736	XPULRZQTKVMIAT-UHFFFAOYSA-N	305.256	1.130	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2=Cc3ccccc3OC2)c(O)c1	60396760	YDARVAKMTMIHCF-UHFFFAOYSA-N	324.336	1.938	50	20	DDGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NC[C@@H](C)O)c1C	179636361	RJYNGYYAMGRWCM-ZXWWHLRMSA-N	319.405	1.716	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1	171167955	NOESXSRQKGWWHK-MRVPVSSYSA-N	308.363	1.502	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1ccc[nH]1)C(=O)c1cccc(F)c1	173691777	NAGNMPKMWUBLEK-JTQLQIEISA-N	317.320	1.824	50	20	DDGD	
CCc1ccc(CCC(=O)NNC(=O)c2cnn(C)c2)cc1	117680806	NHZKPAKAHFCDCS-UHFFFAOYSA-N	300.362	1.376	50	20	DDGD	
Cn1c(=O)oc2cc(NC(=O)NNC(=O)C(C)(C)C)ccc21	179838571	PCGKYZDRTIXQBL-UHFFFAOYSA-N	306.322	1.330	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC(C)(C)c1ccccc1F	66702488	YEEVKFHCDITCRO-UHFFFAOYSA-N	311.357	1.470	50	20	DDGD	
O=C(Cc1n[nH]c2c1CCCC2)NNc1ccc([N+](=O)[O-])cc1	189011508	BIPFGLAAMSHCEH-UHFFFAOYSA-N	315.333	1.883	50	20	DDGD	
O=C(O)C[C@@H](NS(=O)(=O)CCCCl)c1cccs1	37843442	ZAENSZJIPGXOOX-MRVPVSSYSA-N	311.812	1.812	50	20	DDGD	
CCS(=O)(=O)C[C@@H](C)NC(=O)NNc1c(C)cccc1F	185391975	VKYFZMPBGJJCTH-SNVBAGLBSA-N	317.386	1.583	50	20	DDGD	
COc1ccc(-c2cc(C(=O)NNc3cnccn3)[nH]n2)cc1	126068191	NKPHUXIJNFZZIN-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
CONC(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C	73084321	RIIDBYMXWZCKGW-CKNOQMABSA-N	303.362	1.869	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)C(=O)Nc1cc(F)cc(F)c1	181983803	HLPJZFFIBZZTGK-UHFFFAOYSA-N	319.267	1.365	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C(C)C)cc1	124854474	BHFWMMGXWQNUOP-NSHDSACASA-N	305.378	1.942	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1	125541159	WHNIBNCAAFURAG-UHFFFAOYSA-N	312.269	1.563	50	20	DDGD	
COc1ccc(C)cc1-n1ccc(C(=O)NNc2cccnn2)n1	77032751	XRUKTARBMSDZLT-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)CC(=O)NCC(F)(F)F	182145629	QTRUHDGEBVQGIJ-UHFFFAOYSA-N	307.247	1.646	50	20	DDGD	
Cc1cc(CNC(=O)NNc2cccc(S(C)(=O)=O)c2)on1	181651461	DUJWWHZPWHAYQC-UHFFFAOYSA-N	324.362	1.213	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)NCCC2CC2)cc1	75460248	LQYFYVMSPPCRCO-UHFFFAOYSA-N	305.382	1.888	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)Nc2cccnc2)c1	73117791	VFEPVKYORRAIJW-UHFFFAOYSA-N	314.345	1.930	50	20	DDGD	
O=C(NCC[S@](=O)Cc1ccccc1)NNc1cccnn1	77666518	PWPGJDTVPNNXGE-JOCHJYFZSA-N	319.390	1.052	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2cc(C3CC3)on2)c1	74016773	ZENFADPYKNJHAE-UHFFFAOYSA-N	314.345	1.693	50	20	DDGD	
C=CCCC[C@@H](C)NC(=O)NNC(=O)Cn1nc(C)cc1C	181099530	TZUPVUZGKZDIFY-LLVKDONJSA-N	307.398	1.575	50	20	DDGD	
CS(=O)(=O)N[C@H]1CCCN(/C(=C/C#N)c2ccc(F)cc2)C1	78686554	OYHOMCONJALWLC-GFKDLEGOSA-N	323.393	1.704	50	20	DDGD	
CCNC(=O)NNC(=O)C1(c2ccccc2C)CCOCC1	139142231	DTVSQEKVOWZZCA-UHFFFAOYSA-N	305.378	1.394	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc2ncsc2c1	132005453	DWAKQPXQKCFXPP-UHFFFAOYSA-N	301.331	1.852	50	20	DDGD	
C[C@@H]1CCCN(CCNC(=O)NNC(=O)c2ccccc2)C1	46391950	RWQJFFGOUBKBDY-CYBMUJFWSA-N	304.394	1.363	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ccc(F)c(F)c2F)n1	134032004	BPQUSWFVIFKCBB-UHFFFAOYSA-N	317.658	1.886	50	20	DDGD	
CC[C@@H](C)n1ncc(C(=O)NNC(=O)[C@@H]2CCCO2)c1C1CC1	89743717	ALJWIGMUWDXPAP-MFKMUULPSA-N	320.393	1.672	50	20	DDGD	
Cn1c(NNC(=O)C[C@@H]2CCCOC2)nc2ccccc2c1=O	193256017	AMOIVDMHAXGCFD-NSHDSACASA-N	316.361	1.193	50	20	DDGD	
CCc1nnc(NC(=O)NNc2nc3ccccn3n2)s1	191924164	DINLHBDGHSILTM-UHFFFAOYSA-N	304.339	1.292	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)[C@H]3COCCO3)cc2C1	47954345	NHVMXKMGUNJMRN-GXSJLCMTSA-N	324.402	1.049	50	20	DDGD	
CN(C)c1nc2sc(C(=O)NNC(=O)C3CC3)cc2s1	48910650	JGBRIRKMJQZURR-UHFFFAOYSA-N	310.404	1.595	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(-c2ccc(F)cc2)on1	135365226	VHIAIPATNCRBPE-UHFFFAOYSA-N	320.349	1.776	50	20	DDGD	
CC[C@@H](C)CC(=O)NNc1c(OC)cccc1S(C)(=O)=O	190317929	IDRMHIFBNBPTHC-SNVBAGLBSA-N	314.407	1.978	50	20	DDGD	
CCCc1csc(NC(=O)C(=O)NNc2ccccn2)n1	193274676	AWYZOPMIUYVEMI-UHFFFAOYSA-N	305.363	1.572	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)c1ccccc1F	146306967	KUZAWIZOBBDQLC-MNOVXSKESA-N	310.325	1.171	50	20	DDGD	
C[C@@H](C#N)CN(C)CC(=O)NNC(=O)c1ccccc1Cl	143167980	DGBPDMDYVZSSRQ-JTQLQIEISA-N	308.769	1.192	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2cc(C)c(C)s2)o1	91018748	ZPPRJIWFXWLOKL-UHFFFAOYSA-N	314.388	1.890	50	20	DDGD	
Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)c3ccc[nH]3)cn2)n1	97255713	WOHZBZBFHAEZDT-UHFFFAOYSA-N	324.344	1.287	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)n1	249310829	MBLVWJNOPXDUCI-NOOOWODRSA-N	305.382	1.936	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cccc(N2CCOC2=O)c1	264043739	QUTAKXMNNBWZSW-UHFFFAOYSA-N	319.361	1.840	50	20	DDGD	
CN(CCNS(=O)(=O)CCCCl)Cc1ccccc1	386675655	HDIUWTZOZGNKQO-UHFFFAOYSA-N	304.843	1.667	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCCO3)O1	268333309	OAEUPCOHDMFZQO-WCQYABFASA-N	320.345	1.176	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CCOC)cc1	263842220	AYAMDIQMFVIWPP-NSHDSACASA-N	310.350	1.037	50	20	DDGD	
CC[C@@H](Sc1ccccc1)C(=O)NNC(=O)C(=O)NC(C)C	264789024	SBTAPYBDKUOAFI-GFCCVEGCSA-N	323.418	1.229	50	20	DDGD	
CCCCS(=O)(=O)c1ccc(C(=O)NNC(=O)OC)cc1	277597033	SZFUOZRTZCHBRD-UHFFFAOYSA-N	314.363	1.261	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccc(OC)c1OC(F)F	272982292	MBZBIXRIAZJLTB-UHFFFAOYSA-N	317.292	1.603	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc2c(c1)N=S=N2	271916405	GPUKJFSADIBVLJ-UHFFFAOYSA-N	309.351	1.394	50	20	DDGD	
C[C@H]1CN(C(=O)/C(C#N)=C\c2ccc(O)cc2)CC[S@](=O)C1	279292981	KONHLFIQVGTKJT-MPVDVZIPSA-N	318.398	1.526	50	20	DDGD	
COC1(CC(=O)NNc2ccc(C(F)(F)F)nn2)CCC1	276808430	LWZURDJSSLHNEZ-UHFFFAOYSA-N	304.272	1.898	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C[C@H](C)SC	270143526	RZKDYVXZGJAVIM-JTQLQIEISA-N	312.391	1.363	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1	273514164	RKMLLAZMNFDRFM-QMMMGPOBSA-N	310.310	1.802	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNc1ccc(C(=O)OC)cn1	270385843	QNQOVKMBNBKRHD-UHFFFAOYSA-N	322.365	1.008	50	20	DDGD	
C=C(CBr)CN(CCC)[C@@H]1CC(=O)N(C)C1=O	282540053	RGLZPMGQBDBCBZ-SNVBAGLBSA-N	303.200	1.407	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2COCCN2C2CCCC2)cc1	289175391	QQNSLMSLDOVLFF-MRXNPFEDSA-N	319.405	1.782	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	285105247	UHCJDXKRCNIKNA-INIZCTEOSA-N	316.361	1.329	50	20	DDGD	
CO[C@H](CNC(=O)OC(C)(C)C)C(=O)NN(C)c1ccccc1	289566176	PZVQANIYMCKTLA-CYBMUJFWSA-N	323.393	1.694	50	20	DDGD	
CN(C)N(C(=O)c1sccc1Cl)[C@H]1CCS(=O)(=O)C1	289537985	FGLUOQUCWYUBIK-QMMMGPOBSA-N	322.839	1.507	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)CCc1ccccc1O	280791459	USPFNZJGPRBWGE-WCQYABFASA-N	318.373	1.478	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(F)cc1C(=O)N(C)OC	285682328	NCCOTPJPVHFFOK-MDZDMXLPSA-N	321.308	1.842	50	20	DDGD	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ccc(C(F)(F)F)nn1	285661419	DGBITLUZOPZOSH-NKWVEPMBSA-N	318.255	1.138	50	20	DDGD	
CC(=O)Nc1ccc(CNC(=O)NNC(=O)CC(C)(C)C)cn1	280071861	QKRFOUMQDJOOHV-UHFFFAOYSA-N	321.381	1.307	50	20	DDGD	
Cn1cnc2c(C(=O)NNC(=O)NC3CCCCC3)ccnc21	286705698	NZOYPKMOMWVFIZ-UHFFFAOYSA-N	316.365	1.245	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1cc(Cl)ccc1F	292798743	YKLOHXDTXZQKFA-JTQLQIEISA-N	301.705	1.811	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccc3c(n2)CCC3)o1	296763206	FWYOYGGELZQWPM-UHFFFAOYSA-N	300.318	1.938	50	20	DDGD	
O=C(NCc1nc(C2CC2)cs1)NNC(=O)[C@@H]1CCCCO1	296515828	ONSRYJBTEJUDGJ-NSHDSACASA-N	324.406	1.420	50	20	DDGD	
O=C(CCc1cc(F)ccc1F)NNC(=O)[C@@H]1CCCCO1	295367895	JUIMFGDTJVYXBI-ZDUSSCGKSA-N	312.316	1.614	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(C1CCCC1)[C@@H](C)CO	805751330	HHTVEAZQVQTRMN-STQMWFEESA-N	313.442	1.194	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]21	290429552	GYWLLNISMSOGQD-OUCADQQQSA-N	319.361	1.199	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNS(=O)(=O)c2ccccc2Cl)O1	295243878	VMQSEUAPYHHLHI-WPRPVWTQSA-N	318.782	1.217	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1cccnc1F	806364902	BQLWQLNEGAHIHB-UHFFFAOYSA-N	318.308	1.102	50	20	DDGD	
Cc1cnn(CCC(=O)NNc2ccc3c(=O)[nH]ccc3c2)c1	803430911	OERWVEPEVCSXHB-UHFFFAOYSA-N	311.345	1.566	50	20	DDGD	
COc1ccc2c(c1)C[C@H](C(=O)NNC(=O)CC(C)C)CO2	298307150	NVFQQZJUHPDYRY-LBPRGKRZSA-N	306.362	1.440	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2ncccn2)ccc1F	806984446	TZSSRGOFHNABGQ-UHFFFAOYSA-N	303.297	1.260	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)COc1ccccc1CC	294768675	MNBOBGHRLYGGPE-CQSZACIVSA-N	308.378	1.590	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNC(=O)NC2CCCC2)cc1	290633588	YDEOCPSSZKHYDJ-UHFFFAOYSA-N	319.361	1.750	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1nccc2ccccc12	811635008	JFNVVRFSRNZHOR-UHFFFAOYSA-N	310.357	1.697	50	20	DDGD	
CC[C@H](Cc1ccccc1C)C(=O)NNC(=O)c1cnn(C)c1	819296984	IANXCOOURHCDND-CYBMUJFWSA-N	314.389	1.758	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2ccc(C)nc2)cc1	818055611	YBPBLMQNEJLFPJ-UHFFFAOYSA-N	314.345	1.272	50	20	DDGD	
Cc1nsc(NC2CC2)c1C(=O)NNC(=O)NCC1CC1	814626101	IUCPCIKHEPPYTD-UHFFFAOYSA-N	309.395	1.380	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1	810585329	RHAGDGPUXIZRHT-CQSZACIVSA-N	320.374	1.226	50	20	DDGD	
Cc1ccc(CCCCC(=O)NNC(=O)c2ccnnc2)cc1	817694302	XPOJKLNNTSHSJA-UHFFFAOYSA-N	312.373	1.959	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(NS(C)(=O)=O)cc1	818235700	UFANOAFOBAKKLE-MDZDMXLPSA-N	309.347	1.441	50	20	DDGD	
CN(CC(=O)NCCCSC#N)c1ccccc1[N+](=O)[O-]	819699202	UVHNIQSQVGLFDZ-UHFFFAOYSA-N	308.363	1.752	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2ccc(F)cc2)cc1F	810383224	WCVYUWBPQWFEMD-UHFFFAOYSA-N	316.267	1.918	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1ccccc1OC(F)(F)F	817945215	XGPMYLMELBGUSZ-UHFFFAOYSA-N	312.269	1.305	50	20	DDGD	
CN(C)CCc1ccc(C(=O)NNc2nccnc2Cl)cc1	816926307	RPWNRVHTEAKLCW-UHFFFAOYSA-N	319.796	1.991	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1cc2ccccc2o1	812440690	GIQBBUKLQUSAPP-CYBMUJFWSA-N	315.373	1.851	50	20	DDGD	
COc1ccc(OC)c(NC(=S)NNC(=O)NCC2CC2)c1	726482987	QHNPJIFKEDDXIS-UHFFFAOYSA-N	324.406	1.614	50	20	DDGD	
Cc1sc(C(=O)NNC(=O)N(C)C)cc1Br	819197561	KFAHOHSMLLKFAA-UHFFFAOYSA-N	306.185	1.735	50	20	DDGD	
CCc1ccc(C(=O)NN=Cc2ccc(-c3nn[nH]n3)o2)cc1	821476902	UHOWGOJRPWVPFY-UHFFFAOYSA-N	310.317	1.786	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C	492200035	CJIKLUAPKJISHC-VHSXEESVSA-N	315.370	1.409	50	20	DDGD	
CC(C)(C)OC(=O)[C@@]1(C(=O)NNC(=O)C(C)(C)C)CC1(C)C	822245041	QBFUTTMXSXBTRQ-INIZCTEOSA-N	312.410	1.938	50	20	DDGD	
C[C@@H](Oc1ccccc1)C(=O)NNC(=S)NCC1CCC1	727866499	LBSSXKGBAUCFOS-LLVKDONJSA-N	307.419	1.749	50	20	DDGD	
CN(C)C(=O)[C@H]1CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C1	491101969	GMVWJOONXJIFTO-GFAPJHNFSA-N	313.357	1.236	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cccc2c1OC(F)(F)O2	820710269	PROMVPUUGUBBBS-UHFFFAOYSA-N	300.261	1.815	50	20	DDGD	
CC(=NNC(=O)CCNC(=O)OC(C)(C)C)[C@H]1CCCOC1	495276048	LFRNNHOPSHDCGK-LBPRGKRZSA-N	313.398	1.820	50	20	DDGD	
CO[C@@H](CS(=O)(=O)NN(C)C(=O)OC(C)(C)C)C(C)C	827690683	VNMHFKQAFZXWCS-JTQLQIEISA-N	310.416	1.359	50	20	DDGD	
C=CC(=O)NCc1ccc(C(=O)NNc2ccnc(F)c2)cc1	490669261	DHBSGBPGHZDBLL-UHFFFAOYSA-N	314.320	1.780	50	20	DDGD	
C[C@@]1(CC(=O)NNC(=O)c2cccnc2)CC1(Cl)Cl	822157450	YLGBDSVPUYNOKW-LLVKDONJSA-N	302.161	1.817	50	20	DDGD	
CSCC[C@H](O)C(=O)NNC(=O)Cc1ccc(Cl)cc1	822212470	REZVKIBKCICJIQ-NSHDSACASA-N	316.810	1.144	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cc(Cl)c2c(c1)OCO2	490564091	XQLYQVYGULAYLW-WMZJFQQLSA-N	308.721	1.738	50	20	DDGD	
C[C@H](CC(=O)O)C(=O)NNC(=O)c1cn(C)c2ccccc12	827303447	FLHOBTURJQWISI-SECBINFHSA-N	303.318	1.050	50	20	DDGD	
O=C(CN1CC[C@@H](c2cccnc2)C1)NNC(=O)c1ccccc1	829505637	OTQXBHIOYMAJMO-MRXNPFEDSA-N	324.384	1.332	50	20	DDGD	
C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NN(C)C(=O)OC	496168771	MMEOIXSOYDUQNO-JTQLQIEISA-N	303.318	1.231	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cc2ccccc2nc1OC	490782672	KIJALMBKTWGASI-GXDHUFHOSA-N	311.341	1.913	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(CN2CCCC2=O)cc1	494367485	ZMTMOCDSMRXKAT-UHFFFAOYSA-N	320.349	1.592	50	20	DDGD	
C=CC(=O)N(CC)CC(=O)NNC(=O)[C@@H](CC)c1ccccc1	900656138	PRJHELNAMSYZLA-AWEZNQCLSA-N	317.389	1.362	50	20	DDGD	
CCN(CCO)NC(=O)CSc1nc2ccccc2s1	823834193	WDIJMXRKHMANMD-UHFFFAOYSA-N	311.432	1.734	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2[nH]cnc2C)cc1	823010460	QAOUKFDWKWZVHY-UHFFFAOYSA-N	302.334	1.121	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(N3CCOCC3)cc2)ncn1	734253485	ANQNNLYIWXRKBW-UHFFFAOYSA-N	313.361	1.379	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccnc(N2CCC[C@H](C)C2)c1	496583136	AMEJXCJMMDQDLW-NSHDSACASA-N	306.366	1.709	50	20	DDGD	
COc1ccc(C(=O)NN(C)[C@H](C)CO)c(OCC2CC2)c1	823935028	MMDFZCONUUIJGH-LLVKDONJSA-N	308.378	1.441	50	20	DDGD	
CC(C)NC(=O)NNC(=O)Cc1coc2c(F)c(F)ccc12	906444755	YGIOMQUXPPUFJZ-UHFFFAOYSA-N	311.288	1.992	50	20	DDGD	
CCS[C@@H]1CCCCN([C@@H](C)C(=O)NNC(=O)CC)C1	732569257	HCFPEGRFBRLPHH-NWDGAFQWSA-N	301.456	1.540	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCCC[C@@H]2c2ccnn2C)cn1	491046528	HFZFMHAOFNNUAF-IHWMJMDHSA-N	324.388	1.814	50	20	DDGD	
CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NNC(=O)OCC	491015787	INJNBGHVKOWPQZ-OLKPEBQYSA-N	315.395	1.022	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1nc2ccccc2nc1C1CC1	822841368	WUCZPDZCRLWXDF-UHFFFAOYSA-N	313.361	1.860	50	20	DDGD	
CC(C)[C@H](NCc1ccc(B(O)O)o1)c1ccc(F)c(F)c1	585031583	ICZLZLJOUQEXIN-HNNXBMFYSA-N	309.121	1.725	50	20	DDGD	
CC(C)(C)OC(=O)NCC1(C=NNC(=O)C(C)(C)O)CCC1	495586731	CTBKPZREXGIZJU-UHFFFAOYSA-N	313.398	1.554	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NN=Cc2ccc(CO)o2)c1	739400242	ONYSEHIAYWKNEF-UHFFFAOYSA-N	302.330	1.918	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)CC(=O)NC)cc1	491048946	MAWSFXYGMUBUSJ-XTCQQWIJSA-N	315.373	1.633	50	20	DDGD	
O=C(CSCc1cccnc1)NNC(=O)[C@H]1CCCCO1	833256135	KYKJSSVVWNXWCP-GFCCVEGCSA-N	309.391	1.031	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H](C)Cc2cnn(C)c2)c1	837491236	YMDQMSZZBUEUNJ-SNVBAGLBSA-N	306.341	1.890	50	20	DDGD	
O=C(NN=Cc1ccc2ccccc2c1)[C@@H]1CCS(=O)(=O)C1	730575767	HQEWKNSVKQNEFT-OAHLLOKOSA-N	316.382	1.725	50	20	DDGD	
O=C(c1ccc(-c2ccccc2)nc1O)N1CC[C@@H](B(O)O)C1	585076966	OXBLLOWLXRVEMY-GFCCVEGCSA-N	312.134	1.143	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1C(=O)O)c1c(Cl)cccc1Cl	739453459	IQWJQCALPJHIRF-PHDIDXHHSA-N	317.128	1.475	50	20	DDGD	
CN1CCC(CN(C)C(=O)[C@]2(C)C[C@H]2Br)CC1	906569878	XCQJZYJJRPFOTA-DGCLKSJQSA-N	303.244	1.960	50	20	DDGD	
CCn1ccnc1[C@@H](C)NC(=O)NNc1ccc(OC)cn1	836627761	OZWVQTCXMCFTIN-SNVBAGLBSA-N	304.354	1.694	50	20	DDGD	
C[C@@]1(C(=O)NCC(=O)Nc2ccccc2)C[C@H]1Br	906332951	IGKUEVXFQNRZKL-ZWNOBZJWSA-N	311.179	1.915	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NCCC2(O)CCC2)cc1	836452581	IEQNWRDCQXNKKC-UHFFFAOYSA-N	322.365	1.336	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(Cl)nn2)n2nc(C)cc2n1	735689273	VYSSOFRFRVYSQP-UHFFFAOYSA-N	317.740	1.546	50	20	DDGD	
O=C(NNc1cccc(Br)n1)[C@@H]1CCCOC1	837210555	RSIHCAYVOICGOP-MRVPVSSYSA-N	300.156	1.714	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCCc3cc(N)ccc32)CC1	834974052	VRUWZMIKKCSIRO-UHFFFAOYSA-N	301.394	1.266	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC2(CC#N)CC2)c1F	838577017	XFUPMEONCKMLJL-UHFFFAOYSA-N	320.324	1.932	50	20	DDGD	
CCOCC(=O)NN=Cc1cc([N+](=O)[O-])ccc1OC(F)F	731152890	VNSTXDVGAOSYGQ-UHFFFAOYSA-N	317.248	1.683	50	20	DDGD	
COc1ccc([C@H](C)[C@@H](C)NCc2ccccc2B(O)O)cc1	585026933	UNGRVFRALMZUTJ-ZIAGYGMSSA-N	313.206	1.657	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCC2(C(=O)O)CCC2)c(C)o1	738204738	QTUGKDADKZXQCG-UHFFFAOYSA-N	309.322	1.095	50	20	DDGD	
CC1(C)CCCC[C@@H]1NC(=O)NNC(=O)N=c1cc[nH]cc1	836359281	VJJWMWKEPMNABT-LBPRGKRZSA-N	305.382	1.808	50	20	DDGD	
N#Cc1ccc(N2CCC[C@H]2C(=O)NNc2cccnn2)cc1	736710647	ILEHULXMRJRKCZ-AWEZNQCLSA-N	308.345	1.460	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@]1(C)CCCCO1	838437261	QRGXLSCFXHEYKW-XHDPSFHLSA-N	314.382	1.071	50	20	DDGD	
CCOc1ccc(C=NNC(=O)NCC(=O)O)cc1OCC	833664513	WBSLLEIZXPYAGL-UHFFFAOYSA-N	309.322	1.202	50	20	DDGD	
CC(C)COCCC(=O)NNc1cc(O)nc2ncccc12	913995033	CELIXXOQIMSYQY-UHFFFAOYSA-N	304.350	1.841	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCCCO1	837306111	WYXWTRUXAIIPIE-AWEZNQCLSA-N	307.306	1.315	50	20	DDGD	
C=CCc1cc(C=NNC(=O)N2CCOCC2)cc(OC)c1O	747049871	XTHVWRAAFPIWMU-UHFFFAOYSA-N	319.361	1.505	50	20	DDGD	
COC(=O)CCCNC(=O)NNc1c(F)cc(F)cc1F	913877533	DWQFIWIHDPLSCQ-UHFFFAOYSA-N	305.256	1.683	50	20	DDGD	
C[C@H](N)CNC(=O)NNC(=O)c1cc2c(s1)CCCCCC2	841987481	XLJWVGPFWCSAHM-JTQLQIEISA-N	324.450	1.698	50	20	DDGD	
C[C@@H]1CCC[C@H]1CC(=O)NNc1ccccc1S(N)(=O)=O	842262187	RGVNMUIPOMRYGS-MNOVXSKESA-N	311.407	1.603	50	20	DDGD	
CC1(OCC(=O)NNC(=O)NCCc2cccs2)CCC1	746154115	VHHIXHGINFYPSQ-UHFFFAOYSA-N	311.407	1.580	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)cc1	911876992	IIGVDZPYNSQIFP-BYCMXARLSA-N	302.330	1.070	50	20	DDGD	
Cc1ccc(C2(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)CCC2)cc1	843656181	ABVRJTLMKFVOCA-UKRRQHHQSA-N	316.401	1.989	50	20	DDGD	
CCCC(C)(C)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	845356145	CAWGDXTWCARVQF-LLVKDONJSA-N	300.399	1.938	50	20	DDGD	
O=C(NCCNC1CCCCCC1)NNC(=O)c1ccccc1	841959986	XGXIDZDRIMHFSP-UHFFFAOYSA-N	318.421	1.943	50	20	DDGD	
CC(C)NC(=O)NN=Cc1ccccc1N1CCO[C@@H](C)C1	745009172	IVGXBKJVCSQETO-ZDUSSCGKSA-N	304.394	1.953	50	20	DDGD	
Nc1c(C(=O)NNC(=O)C2CCCC2)cc(F)cc1[N+](=O)[O-]	918566538	XEHIEXVCBUTTOY-UHFFFAOYSA-N	310.285	1.267	50	20	DDGD	
Cc1cccc(OCCCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	843644901	GXIULMBWRZIVFN-DZGCQCFKSA-N	320.389	1.726	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccnn1)[C@@H]1C[C@H](C(=O)O)C1(C)C	848595521	HYKTYYRRMSMHGO-KXUCPTDWSA-N	307.354	1.238	50	20	DDGD	
CCc1nc(C(C)C)ccc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843661531	OPWIZONSVGSESC-NWDGAFQWSA-N	319.405	1.953	50	20	DDGD	
CS(=O)(=O)Cc1ccc(C(=O)NNc2cccc(F)c2)o1	748091433	YFDILHHDOVTLTD-UHFFFAOYSA-N	312.322	1.720	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1ccc(CO)cc1	915786014	ZKJYLJUYDKGOJH-UHFFFAOYSA-N	318.304	1.158	50	20	DDGD	
CNC(=O)NC(=O)[C@@H](C)N(C)CCO[Si](C)(C)C(C)(C)C	844346434	NKIUGGHKUXUMFI-LLVKDONJSA-N	317.506	1.784	50	20	DDGD	
CC[C@H](C(=O)NNC(=S)NC[C@@H]1CCOC1)c1ccccc1	749700386	BKKCMSQFGAXXQM-JSGCOSHPSA-N	321.446	1.712	50	20	DDGD	
C[C@H]1CC(=NNC(=O)CSc2ccccc2O)c2ncnn21	841639590	BBNAITOIRSYROH-VIFPVBQESA-N	317.374	1.561	50	20	DDGD	
Cc1cc(C)cc(CC(=O)NNC(=O)NCC(F)(F)F)c1	847116748	QKFZZLXMQNMXQS-UHFFFAOYSA-N	303.284	1.739	50	20	DDGD	
COCC1(CC(=O)NNc2nnc(-c3ccccn3)s2)CC1	843864090	VLESVKYSHLVEOE-UHFFFAOYSA-N	319.390	1.860	50	20	DDGD	
C[C@@H]1CCCc2ncc(C(=O)NNC(=O)c3ccccc3F)n21	844277279	ADECUKYQVUUWMC-SNVBAGLBSA-N	316.336	1.994	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@H]2CCC(=O)[C@@H](C)C2)cc1	846377324	BBLYQAXZNQTESM-AAEUAGOBSA-N	318.373	1.851	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@@H](C)CCCCN	841994168	IYHLKLVTSHKLHG-ZDUSSCGKSA-N	306.410	1.385	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@@H]2OCC[C@@H]2C1	843979336	SMGJNYDUSVZQOM-OLZOCXBDSA-N	311.813	1.990	50	20	DDGD	
C[C@H](CCN)NC(=O)NNc1ccc(F)cc1Br	841967285	MGBJGDXDWRXATB-SSDOTTSWSA-N	319.178	1.952	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1ccc(C)c([N+](=O)[O-])c1	920833166	HHXBTDHVAPVJCC-UHFFFAOYSA-N	308.338	1.963	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ncoc1C(F)(F)F)C1CC1	855097087	JCJINASQUPFJMW-YFKPBYRVSA-N	322.312	1.601	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42	857357705	APUFKFAYXOJNGM-UVDRMBIFSA-N	316.792	1.967	50	20	DDGD	
CCc1ccc(C(=O)NNC(=S)N[C@H](C)C2CC2)c(O)c1	855099781	NISNQQHQLPHWPZ-SECBINFHSA-N	307.419	1.862	50	20	DDGD	
CC(C(=O)NNC(=O)COc1ccccc1O)=C1CCCC1	753610286	WXOZJYNWLZHXND-UHFFFAOYSA-N	304.346	1.809	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)N2CCO[C@H]3C[C@H]32)cc1	852398568	HBVQPRXJXPOZHL-KGLIPLIRSA-N	317.389	1.812	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ncoc1C1CC1	854285976	SYJYTQDIWDSZID-UHFFFAOYSA-N	312.395	1.040	50	20	DDGD	
Cn1cc([C@H](O)C(=O)NNc2cc(C(F)(F)F)ccn2)cn1	857513850	LPSMIXSPMBLKPG-JTQLQIEISA-N	315.255	1.011	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=C1CCCn2nccc21	853406832	UWXAEEFDMWKBPF-UHFFFAOYSA-N	319.409	1.440	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cn(C)nc1C1CCC1)C1CC1	855095253	KAZDSHFVKDCODM-SECBINFHSA-N	321.450	1.595	50	20	DDGD	
CCN(CC)C(=O)CCCC(=O)NNC(=O)c1cccc(F)n1	856424468	MQTQNJWCKPRJID-UHFFFAOYSA-N	324.356	1.020	50	20	DDGD	
CCNC(=O)NN=Cc1ccccc1N(C)C1CCN(C)CC1	920825569	SYVYDBCCZZBDEA-UHFFFAOYSA-N	317.437	1.870	50	20	DDGD	
CCOC[C@@H]1C(=O)N(C[C@]2(C)C[C@@H]2Br)C(=O)N1C	857228154	ZJMIYXIIFVADGP-PTRXPTGYSA-N	319.199	1.459	50	20	DDGD	
N#C/C(=C/c1cccc(-n2cccn2)c1)S(=O)(=O)NC1CC1	756622352	OFBGPAFWINFQPQ-GDNBJRDFSA-N	314.370	1.819	50	20	DDGD	
C[C@H](NC(=O)NC[C@]1(C)C[C@@H]1Br)c1cnn(C)c1	856836593	RAERPMNLBHQMCQ-PEXQALLHSA-N	315.215	1.954	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2C[C@@H]3CCCC[C@@H]32)cc1	852220217	JXRVAOAEYLKKDW-GJZGRUSLSA-N	301.390	1.630	50	20	DDGD	
CC(C)CC1(NCC(=O)NNC(=O)c2ccc(C#N)cc2)CC1	852682637	HOKMJOZTYXMQPF-UHFFFAOYSA-N	314.389	1.488	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)C(C)(C)C)[C@@]1(C)CCCO1	853408346	OEFDTWXJGYDHQR-MRXNPFEDSA-N	311.426	1.990	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)N[C@@H]1C[C@@H]2CCCCN2C1=O	922817386	NHMXRQAMDMMJRE-GXFFZTMASA-N	324.331	1.744	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NNc2ncc(Cl)cn2)C1(C)C	856880299	BJXBSSFIUANQKE-FXBDTBDDSA-N	313.789	1.816	50	20	DDGD	
O=C(CCc1ccncn1)NNc1ccc(Br)nc1	757661880	PZGUGYLWBOIUQO-UHFFFAOYSA-N	322.166	1.710	50	20	DDGD	
CN(CCCNC(=O)C1CCC1)S(=O)(=O)CCCCCl	758284909	KWMIQNUDPXIKGU-UHFFFAOYSA-N	324.874	1.573	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1sccc1OC	854280852	GBNFKSBNJSHKOG-UHFFFAOYSA-N	317.436	1.244	50	20	DDGD	
Cc1cc(OCC(=O)NNC(=O)Cc2ccccc2C)no1	921189488	PPZGIKLMBMIULV-UHFFFAOYSA-N	303.318	1.060	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)[C@@H](C)N1CCN(C)CC1	928340651	YEEFTTAWEBDADP-GFCCVEGCSA-N	310.829	1.727	50	20	DDGD	
COC(=O)c1cc(NNC(=O)Cc2cncn2C)ccc1C	857267302	SEHQGRJKASYNTO-UHFFFAOYSA-N	302.334	1.201	50	20	DDGD	
Cc1ccncc1/C=C\C(=O)NNC(=S)N[C@H](C)C1CC1	855100217	XFONWWXNIJNUNC-ISALQUGTSA-N	304.419	1.697	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)c1ccc2c(c1)OCO2	758990793	KPQMGTGGFAXNBG-UHFFFAOYSA-N	308.334	1.239	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	857734918	XAGKAKSKXXYPII-HOTUBEGUSA-N	320.231	1.503	50	20	DDGD	
CC1CCN(CC(=O)NNC(=O)c2cccc(Cl)n2)CC1	857323077	AJEIXMGUFRLQNL-UHFFFAOYSA-N	310.785	1.228	50	20	DDGD	
CCOCCn1cc(C(=O)NNC(=O)c2ccccc2C)cn1	856759388	JPRZMUAMLIJCEE-UHFFFAOYSA-N	316.361	1.303	50	20	DDGD	
O=C(NNc1ccc(F)cc1)N[C@@H]1CCCS(=O)(=O)C1	758653339	ZEVLXEGHEUKKNO-LLVKDONJSA-N	301.343	1.029	50	20	DDGD	
CC(=NNC(=O)OCC(F)(F)F)C1CCS(=O)(=O)CC1	853430022	VVXLMGBOHXWYDF-UHFFFAOYSA-N	316.301	1.476	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc(C#N)ccc1F	854388728	VJNAHEQKESKNLZ-UHFFFAOYSA-N	323.324	1.248	50	20	DDGD	
COCCC1CCN(C(=O)NNC(=O)Cc2cccnc2)CC1	858189144	GIQXPGXOFKYAKD-UHFFFAOYSA-N	320.393	1.113	50	20	DDGD	
C[C@@]1(CNC(=O)NCC(F)(F)CN)C[C@H]1Br	857103089	BMXLLKIHLLZQAO-SVRRBLITSA-N	300.147	1.053	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1oc(SC)cc1C	853939805	DBWZQRDAAGZERP-MRVPVSSYSA-N	314.363	1.413	50	20	DDGD	
C[C@H]1Cc2cc(NC(=O)NNC(=O)c3cnn(C)c3)ccc2O1	933149129	CZSCZUUTIVXJPN-VIFPVBQESA-N	315.333	1.210	50	20	DDGD	
CCn1nc(C)c(C(=O)NC[C@@]2(C)C[C@H]2Br)n1	857387392	HPXALVRSXMTOJR-LDYMZIIASA-N	301.188	1.510	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)CC(F)(F)C(F)(F)F)n1	867330479	GHKRMXFLVBGJFD-UHFFFAOYSA-N	319.621	1.743	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1cc(F)c(Cl)cc1F	869907499	NLWSDRLXTLRFQK-UHFFFAOYSA-N	322.695	1.042	50	20	DDGD	
CCc1cccnc1C(=O)NNC(=O)COCc1ccccc1	766470752	UNDFXNJUMYYJIU-UHFFFAOYSA-N	313.357	1.622	50	20	DDGD	
C[C@@H]1CC(C)(C)CC1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	766015114	YUZSZMLKJIJXFV-NXEZZACHSA-N	301.412	1.285	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN1C1CCCC1)c1cccc(Cl)n1	862469054	XJXVTPAFBOPQPY-LBPRGKRZSA-N	322.796	1.513	50	20	DDGD	
Cc1c(NCc2ccccc2B(O)O)cccc1-c1ncco1	864013146	LDWWIRNZDZQEKY-UHFFFAOYSA-N	308.146	1.942	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CC(F)(F)C(F)(F)F)o1	866435536	CEKWERKSJVMNAU-UHFFFAOYSA-N	300.183	1.937	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H]1CCN(C(C)(C)C)C1=O	867445738	NEJSKBHMQSUHFA-SNVBAGLBSA-N	324.874	1.570	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Cc1ccco1	764561934	ASRKHQYIQVSWIZ-JTQLQIEISA-N	306.293	1.576	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2CCN2C2CCCC2)n1	862468298	GENXXODPRLYOEM-CQSZACIVSA-N	302.378	1.168	50	20	DDGD	
COC(=O)c1ccc(C(C)=NNC(=O)N2CCOCC2)cc1	767779723	QEOXHQFAWXDQES-UHFFFAOYSA-N	305.334	1.239	50	20	DDGD	
O=C(NNc1nc[nH]n1)[C@@H]1CCCN1Cc1ccc(Cl)cc1	863916858	MBVNNPMLLDVVSI-LBPRGKRZSA-N	320.784	1.566	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccccc1SC(F)F	763440391	BZOPCAWDWMIWPN-UHFFFAOYSA-N	317.317	1.497	50	20	DDGD	
COCCOCC(=O)NNC(=O)C[C@H]1C[C@H](C)CC(C)(C)C1	869909275	OZAZRUCCJKGJOX-QWHCGFSZSA-N	314.426	1.649	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1ncc2ccccn12	869454855	IHOABUSCHLGSJF-UHFFFAOYSA-N	308.210	1.766	50	20	DDGD	
CCCC1(C(=O)NNC(=O)CNc2ccccc2OC)CC1	761021799	QUWNRFIWTHLMLE-UHFFFAOYSA-N	305.378	1.835	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(F)ccc1N(C)C	873803414	FYVSKOZUEXYLCT-VIFPVBQESA-N	324.356	1.024	50	20	DDGD	
O=C(NCC12CC3CC(CC(C3)C1)C2)NNC(=O)c1cn[nH]c1	1118798906	IYUNRSFVASECCA-UHFFFAOYSA-N	317.393	1.570	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NCc2ccccn2)nn1	1116097489	QMSPLRDMJIBXGZ-UHFFFAOYSA-N	300.366	1.995	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNc1nc2ccccc2cc1C	777482774	QSZKPHMUBQXNCC-LLVKDONJSA-N	300.362	1.901	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H](C)n2cncn2)cc1C	873763218	RBTPCCXEECQMNT-LLVKDONJSA-N	318.406	1.474	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CCOC(C)(C)C2)cc1	872338010	LSVNTKCSMSHFOU-UHFFFAOYSA-N	303.362	1.995	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)CCO1	776344975	LDOUMBSXJLYWAC-NWDGAFQWSA-N	320.393	1.720	50	20	DDGD	
Cc1cc(NC(=O)NNc2ncc(F)cn2)ccc1[N+](=O)[O-]	775718838	NIPNQRMCQUPMGY-UHFFFAOYSA-N	306.257	1.981	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)CNC(=O)OC(C)(C)C)C(C)(C)C	778436113	DJVILZWAMQQQPS-CSKARUKUSA-N	313.398	1.651	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cc(C(=O)N(C)C)ccc1C	878256025	DZWARSKTPVLCMU-UHFFFAOYSA-N	308.338	1.432	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)c1cnc2n(c1=O)CCS2	778451075	JAUGMYZTWNLXGV-UHFFFAOYSA-N	323.765	1.154	50	20	DDGD	
CCOc1nc(C(=O)NNC(=O)c2cccc(Cl)c2)co1	771868877	UFWOYKGSYAKKQB-UHFFFAOYSA-N	309.709	1.802	50	20	DDGD	
COC(=O)c1c(F)ccc(NC(=O)NN(C)C(=O)OC)c1F	879613395	BLXDZTXVGOMMDA-UHFFFAOYSA-N	317.248	1.486	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)C1(C#N)CC(C)C1	873770090	YXPGLVPQCNGCNJ-UHFFFAOYSA-N	318.402	1.953	50	20	DDGD	
COc1ccccc1C(=O)NN=Cc1cnc([C@H](C)O)s1	773054398	QBLGEDOMWXDGHF-VIFPVBQESA-N	305.359	1.969	50	20	DDGD	
Cc1cnc(NC(=O)C(=O)NNc2nccnc2C(C)C)s1	1116809987	CMTWDJASIVTGRW-UHFFFAOYSA-N	320.378	1.447	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H](C)CN2CCOCC2)c(O)c1	872336824	MYSYUQOOYKDTJQ-CYBMUJFWSA-N	305.378	1.119	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccc(OC(F)F)cc1	875012180	SAWOQBKOESCNLK-UHFFFAOYSA-N	303.265	1.700	50	20	DDGD	
CO[C@@H]1CN[C@](C)(C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	876986061	XEYOWENBPBUWJU-XPXLGCRWSA-N	305.216	1.043	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](C)[C@@H]1OCCc2sccc21	875616093	VWZCBIBURPEOBP-KCJUWKMLSA-N	313.379	1.663	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cnn(C)c2)cc1CC	1116470216	KZVQWEPOZTZKJJ-UHFFFAOYSA-N	300.362	1.620	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccn(C(C)C)n1	772130704	BFLYCZRFZIWSCV-LLVKDONJSA-N	324.381	1.203	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)C1(n2cnnn2)CCCCC1	885141935	QLUZPYNUGWAOMK-UHFFFAOYSA-N	322.319	1.754	50	20	DDGD	
CC(=O)c1cc(NC(=O)NNC(=O)C2CCOCC2)ccc1C	880029489	LVRYLIYTCUXCIW-UHFFFAOYSA-N	319.361	1.777	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2cc(O)nc(C3CC3)c2)n1	771740054	XXNNKIFICGAHFS-UHFFFAOYSA-N	320.740	1.447	50	20	DDGD	
CCC(=O)c1cc(C(=O)NNC(=O)C2CCOCC2)ccc1F	883067086	UCVNMHPCTBKTIT-UHFFFAOYSA-N	322.336	1.606	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)CCCCl)C[C@@]2(CCCOC2)O1	882148912	BGOAYETXGYBWKN-VXGBXAGGSA-N	311.831	1.215	50	20	DDGD	
C=C(CBr)n1cc(C[C@H](O)c2ccccn2)nn1	881315302	BHRBKJRRTHYCTO-LBPRGKRZSA-N	309.167	1.815	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccnc(C(F)(F)F)c1	883069979	CKEPJNZYVFLELP-UHFFFAOYSA-N	317.267	1.288	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CCc1ccc(O)nc1	787338564	HQAFHIRDSMFEJN-UHFFFAOYSA-N	315.329	1.190	50	20	DDGD	
CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)NNC(=O)c1cccnn1	883693452	CAKCZRYIOCFMKL-QWRGUYRKSA-N	305.382	1.635	50	20	DDGD	
CSSCCNC(=O)Nc1cc(S(C)(=O)=O)ccn1	880592684	YHOZHPVDBDSCQS-UHFFFAOYSA-N	321.449	1.618	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@H](C(=O)NNc2cccc3cnccc23)C1	787133376	ASDMIAISWSTWKD-NEPJUHHUSA-N	312.373	1.970	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H]1CCc2cc(O)ccc2C1	882131927	UBYZRZJEVOYSRM-GFCCVEGCSA-N	303.811	1.798	50	20	DDGD	
Cc1cscc1NC(=O)C(=O)NNC(=O)c1ccc(O)cc1	782833424	IBGCFLABMBMYPR-UHFFFAOYSA-N	319.342	1.162	50	20	DDGD	
C[C@@]1(NCC(=O)NNC(=O)c2cccs2)CCO[C@@H]1C1CC1	784592547	HRTTYWOFLAMFOI-UKRRQHHQSA-N	323.418	1.056	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2n[nH]c(C)c2[N+](=O)[O-])c1	780792944	VKRDNXLBCODWPT-UHFFFAOYSA-N	319.277	1.170	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1ccc(OCCOC)o1	899341624	FUHDHWFHVIYCKK-ZRDIBKRKSA-N	308.334	1.364	50	20	DDGD	
COc1cccc(NNC(=O)c2cc3nn[nH]c3cc2F)n1	781971110	QLMOODGBPJJWJO-UHFFFAOYSA-N	302.269	1.258	50	20	DDGD	
Cc1ccc(S(C)(=O)=O)cc1C(=O)NNc1ccnc(F)c1	781361180	TXOBDAPBSGJIPG-UHFFFAOYSA-N	323.349	1.690	50	20	DDGD	
O=S(=O)(CBr)NC[C@H](CCO)c1ccccc1	782455826	WNPFVDADPIDSAQ-NSHDSACASA-N	322.224	1.424	50	20	DDGD	
Cc1cscc1CNC(=O)NNC(=O)c1ccccc1O	787337429	LTRDXDXVLSGJFD-UHFFFAOYSA-N	305.359	1.906	50	20	DDGD	
CC[C@@H](C)CC[C@@H](O)CC(=O)NNC(=O)c1cccc(C)n1	794087856	SLBZTGWTJGVQCN-DGCLKSJQSA-N	307.394	1.728	50	20	DDGD	
C[S@@](=O)c1ccc(CC(=O)NNc2nccnc2Cl)cc1	798110639	NNIXHVBCZHLTNX-OAQYLSRUSA-N	324.793	1.553	50	20	DDGD	
C[C@H](NNC(=O)c1cc([C@H]2CCCN2C)[nH]n1)C(F)(F)F	897881299	RHZQRZPFQRYXGQ-OIBJUYFYSA-N	305.304	1.362	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1nc(Cl)ccc1F	791263821	OFVLGOXNVDTFQY-UHFFFAOYSA-N	306.688	1.674	50	20	DDGD	
NC(=S)c1ccc(C(=O)NNc2nc3ccccn3n2)cc1	798341033	HOLREUAVFLHIKV-UHFFFAOYSA-N	312.358	1.120	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCN2CCC[C@@H]2C)cc1	897473631	AUPBWJRQNKIECC-ZDUSSCGKSA-N	318.421	1.677	50	20	DDGD	
CC(Cn1cc(C(F)(F)F)ccc1=O)=NNC(=O)N(C)C	794499776	PYXOCOFRRCEWBB-UHFFFAOYSA-N	304.272	1.514	50	20	DDGD	
CC[C@@H](C)CC[C@@H](O)CC(=O)NNc1nc2ccccn2n1	793955437	QVFSBKNXPZILAY-VXGBXAGGSA-N	305.382	1.750	50	20	DDGD	
COc1cccc(C=NNC(=O)Cn2nc(C)cc2C)c1F	799870767	YTMHTMBHBKEOOX-UHFFFAOYSA-N	304.325	1.798	50	20	DDGD	
O=C(COc1ccc(F)cc1)NN=C1CC(=O)N2CCCC[C@H]12	799472598	QIEQLODNAKWUNG-CQSZACIVSA-N	319.336	1.462	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)c2ccc(O)c(O)c2)s1	794550196	BKRXWPRIMNVJKF-UHFFFAOYSA-N	306.347	1.384	50	20	DDGD	
C[C@@H]1COC(=O)C1=NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	794937674	ZNKDMVUUILQDHV-RKDXNWHRSA-N	310.737	1.772	50	20	DDGD	
Cc1cccc(NC(=O)NNc2ccc(-n3ccnc3)nn2)n1	796655291	MDFIYOYIBJLNHQ-UHFFFAOYSA-N	310.321	1.514	50	20	DDGD	
N#Cc1ncn(CC(=O)NNc2cc(Cl)cc(Cl)c2)n1	791731495	BJGJDKBAZPOEPP-UHFFFAOYSA-N	311.132	1.600	50	20	DDGD	
COC1(CC(=O)NNC(=O)COc2ccc(C)c(C)c2)CCC1	790114870	XIVZWWZUBSEJRP-UHFFFAOYSA-N	320.389	1.789	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42	793202611	ZYVKTBFYFULLGY-GLBFMCIGSA-N	303.406	1.511	50	20	DDGD	
COc1ccc(CC(=O)NNc2cnc3ccccc3n2)nc1	790024948	ZDDPFJKSAQGELP-UHFFFAOYSA-N	309.329	1.719	50	20	DDGD	
C=C(CBr)CN1CCN(C[C@@H]2CCOC2)CC1	791473110	KHSMNUGZNGLACC-ZDUSSCGKSA-N	303.244	1.592	50	20	DDGD	
CC[C@H](C)CC[C@@H](O)CC(=O)NNC(=O)Cc1ccncc1	793600255	BNNKBSBKLWDXGF-GXTWGEPZSA-N	307.394	1.349	50	20	DDGD	
CC(=NNC(=O)c1cccc(C)n1)c1cc(C(=O)O)ccc1O	794566356	GPHODOGWQHRVBA-UHFFFAOYSA-N	313.313	1.948	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(C#N)o1	794196309	QAOHLGKHQKMPPY-VIFPVBQESA-N	317.276	1.519	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCN(C)C1CCCCC1	791127402	DPJAFQYSMCLEFI-UHFFFAOYSA-N	314.430	1.008	50	20	DDGD	
COc1ccc(NC(=O)NNc2nncc(N)c2Cl)cc1	1319284371	UWTXUBWGBWBVHB-UHFFFAOYSA-N	308.729	1.869	50	20	DDGD	
COc1cc(C)sc1C(=O)NNc1nncc(N)c1Cl	1319219287	IVXYUIVYUAHAMX-UHFFFAOYSA-N	313.770	1.848	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc(-c2ccccc2)no1	1248688089	FZXFSGIMYOFOJX-UHFFFAOYSA-N	304.375	1.859	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1cccn1C1CC1	1326636346	GIQFWPVRHNAQJO-CYBMUJFWSA-N	304.394	1.241	50	20	DDGD	
COc1cc(O)ccc1C=NNC(=O)Cc1nc(C)cs1	1321467640	SFJMMGSZXUMENI-UHFFFAOYSA-N	305.359	1.859	50	20	DDGD	
CN(C)[C@H]1CCCC[C@H]1NC(=O)NNc1nc2ccccn2n1	1321828207	BDWLYWXMVGEUTM-NEPJUHHUSA-N	317.397	1.228	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)NCCCCN)c1C	1325326796	QMHMRHBGRLXJLG-ZDUSSCGKSA-N	322.409	1.140	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccnc(OC)c2)cc1	1321709141	VVPOAMBVVHDSGE-UHFFFAOYSA-N	301.302	1.174	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1c(C)nc2sccn12	1339892133	NJOSVTKAVRAZQK-NSHDSACASA-N	324.406	1.596	50	20	DDGD	
CC(=NNC(=O)c1ccc(C(=O)O)cc1)C1CCN(C)CC1	1335858201	LOZNHHMCGPPNQK-UHFFFAOYSA-N	303.362	1.832	50	20	DDGD	
COc1cccc(NNC(=O)c2ccn(-c3ccncc3)n2)n1	1339194979	SQISNIIHNNWXGW-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N2CCC=C(F)C2)C[C@@H]1Br	1261769592	BPRCUUWAFJYNRL-JOYOIKCWSA-N	319.174	1.362	50	20	DDGD	
O=C(NNC(=O)[C@@]1(F)CCOC1)Nc1ccc(Cl)cc1	1347495677	CSPSRHCSNUFHMP-GFCCVEGCSA-N	301.705	1.621	50	20	DDGD	
COC(=O)c1nc(C(=O)NNc2cccc(C(=O)O)c2)cs1	1606634088	RFEPENVDKZUXIW-UHFFFAOYSA-N	321.314	1.385	50	20	DDGD	
CN(C)N(C(=O)[C@H]1CCCOC1)c1nc(CC(=O)O)cs1	1606037590	UKEICRNOGAEICN-VIFPVBQESA-N	313.379	1.006	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(C(=O)O)ccc1N1CCCC1	1606495263	YOYXTGVXBYQUNS-UHFFFAOYSA-N	322.321	1.378	50	20	DDGD	
Cc1ccc(NNC(=O)c2c(O)nnc(C)c2C)cc1C(=O)O	1607809965	KTWUUGPJLXZXRR-UHFFFAOYSA-N	316.317	1.563	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNc1ccc(CC(=O)O)cc1	1602743239	JYJPRTPCIHHGSS-UHFFFAOYSA-N	308.337	1.981	50	20	DDGD	
O=C(NCCn1cccc1)NNc1ccc(F)c(C(=O)O)c1	1608456061	LLZGMXCMWWFTTF-UHFFFAOYSA-N	306.297	1.652	50	20	DDGD	
CCc1nnc(C(=O)NNc2cccc(C(=O)O)c2C)s1	1605868836	ZEBCLNRYKPDWAR-UHFFFAOYSA-N	306.347	1.864	50	20	DDGD	
O=C(NNc1ncccc1Cl)Nc1cncc(C(=O)O)c1	1601562009	NPXLVSWDIHMAII-UHFFFAOYSA-N	307.697	1.977	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@H]2CC[C@H](C(=O)O)CC2)c1	1608215083	LIWYMGSFEBALSW-HAQNSBGRSA-N	315.329	1.210	50	20	DDGD	
N#C/C(=C/c1ccc(-c2nn[nH]n2)c(F)c1)C(=O)N1CCCC1	1609492648	RDGXEQMAAZNPCM-XFFZJAGNSA-N	312.308	1.535	50	20	DDGD	
Cc1csc(C(=O)O)c1S(=O)(=O)NNC(=O)C(C)(C)C	1600653577	LPZCXGJZBZKUGT-UHFFFAOYSA-N	320.392	1.110	50	20	DDGD	
C/C(=C\CNC(=O)NNc1ccc(OC(F)F)cc1)C(=O)O	1602972801	RZSALZZOWSFKRQ-SOFGYWHQSA-N	315.276	1.945	50	20	DDGD	
CCn1cc(C(=O)C(=O)NNc2cccc(C(=O)O)c2C)cn1	1605915091	FSSVHCCZJXYDGA-UHFFFAOYSA-N	316.317	1.236	50	20	DDGD	
O=C(O)c1cc(NNC(=O)C2(O)CCSCC2)ccc1F	1610814448	OSFNDLYJSWQKPP-UHFFFAOYSA-N	314.338	1.225	50	20	DDGD	
Cc1ccc(NNC(=O)Cc2c(C)noc2C)cc1C(=O)O	1610510026	VQHNJDUWRGOOMS-UHFFFAOYSA-N	303.318	1.984	50	20	DDGD	
Cc1cc(C=NNC(=O)NCc2ccccc2)[nH]c1C(=O)O	1610458851	DWNOILBBFJNIOP-UHFFFAOYSA-N	300.318	1.855	50	20	DDGD	
C=CC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)C1CCNCC1	1574900057	NZSSIDPQVVSBNB-JSGCOSHPSA-N	308.426	1.451	50	20	DDGD	
CC[C@]1(C(=O)NNC(=O)c2nc3ccccc3s2)CCCN1	1577198160	FVQPJTWFMULQPU-OAHLLOKOSA-N	318.402	1.590	50	20	DDGD	
CC1(C)NCC[C@H]1NS(=O)(=O)c1ccc(CCCl)cc1	1576489422	OJLNFRKSHYNDRJ-CYBMUJFWSA-N	316.854	1.887	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1C[C@H](N)C1(C)C	1576287689	RSHIMJSVPYCKMO-XDTLVQLUSA-N	323.368	1.114	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H]1CCC[C@H]1C(=O)O	1574474906	RJZVJVVEKSFQED-ZOAGNIGNSA-N	300.314	1.669	50	20	DDGD	
C=CCn1cc(C(=O)NNc2ccc(F)c(C(=O)O)c2)nn1	1588910308	PUQRFIOQZKRYKZ-UHFFFAOYSA-N	305.269	1.058	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc(NC(N)=O)cc1	14419422	RLTIADBOYLANEQ-UHFFFAOYSA-N	312.329	1.560	50	20	DDGD	
CC(CSCCF)=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1589888815	NTCYFFQITWENIP-UHFFFAOYSA-N	322.369	1.675	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@]1(C(=O)O)C[C@H]1c1ccccc1	1589693370	JEQOALSPRYEGTL-MEDUHNTESA-N	304.346	1.438	50	20	DDGD	
O=C(NNC(=O)[C@@H]1NCC[C@H]2CCCC[C@H]21)c1cccc(F)n1	1580736611	ZIUQDCQMJGWIMU-JTNHKYCSSA-N	320.368	1.150	50	20	DDGD	
C[C@H](CC(=O)O)C(=O)OCCCI	1592365610	XSEWWZVSTGGYLL-ZCFIWIBFSA-N	300.092	1.466	50	20	DDGD	
O=C(NNc1ncccc1F)Nc1sccc1-c1nn[nH]n1	1593167242	DOVDLCLLYQPDHO-UHFFFAOYSA-N	320.313	1.611	50	20	DDGD	
COCCCNC(=O)NN=Cc1cc(C(=O)O)c2n1CCCC2	1599226868	JCOBUQVQMPKTFC-UHFFFAOYSA-N	322.365	1.192	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1cc(C(=O)O)no1	1599704156	RGNHDYKKSBNAKK-UHFFFAOYSA-N	303.274	1.074	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)Nc1ccccc1C(=O)O	1594782693	GUZQMWQLCJWWER-HLUHBDAQSA-N	319.317	1.105	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccc(C(=O)O)cc2F)o1	1598959581	BZYRVKWOAQZFOA-UHFFFAOYSA-N	322.248	1.660	50	20	DDGD	
CCC1(C(=O)NNc2ccc(-c3nn[nH]n3)c(Cl)c2)COC1	1590488742	JGRHHPKFNMQFRL-UHFFFAOYSA-N	322.756	1.390	50	20	DDGD	
Cc1cc(C=NNC(=O)Cc2cccnc2)ccc1-c1nn[nH]n1	1591958407	CMJHTXRYUXZWCT-UHFFFAOYSA-N	321.344	1.263	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2cccc(-c3nn[nH]n3)c2)[C@H](C)O1	1590180168	DVDZISLSKWDCHG-IUCAKERBSA-N	300.322	1.150	50	20	DDGD	
CO[C@@H](C(=O)NNc1ccccc1C(=O)O)c1ccc(O)cc1	1599029441	ZVGZKKCPQSEKRS-CQSZACIVSA-N	316.313	1.921	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNc1ccc(-c2nn[nH]n2)cc1	1590163578	JPWKHHTWVVCHMN-GXSJLCMTSA-N	314.349	1.315	50	20	DDGD	
O=C(O)CC[C@@H]1C[C@@H](C(=O)NNc2ccc(F)cc2F)CO1	1595006552	SRFAFDVBJXGDCM-PSASIEDQSA-N	314.288	1.678	50	20	DDGD	
Cc1cc(C)c(C(=O)O)cc1C=NNC(=O)c1ccc(CO)o1	1776097066	HIXKDOUHVIMBJO-UHFFFAOYSA-N	316.313	1.851	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1cc(F)c(C(=O)O)c(F)c1	1776129358	GLINQMAXSWFMFO-BJMVGYQFSA-N	324.283	1.723	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccccn2)c1[N+](=O)[O-]	17328352	ZWERGPVAAVWJGF-UHFFFAOYSA-N	300.274	1.373	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(CCN(C)C)Cc1cccc(O)c1	153568008	SZQKEPBICGTXNG-SQFISAMPSA-N	317.389	1.726	50	20	DDGD	
CS[C@H](C)CC(=O)NNC(=O)COc1ccc(C)c(C)c1	155316473	RVZXRYSPBLUJPY-GFCCVEGCSA-N	310.419	1.971	50	20	DDGD	
O=C(Cn1c(=O)oc2ccccc21)NNc1cccc(F)c1	154460293	HKFZMMGEEDIUCR-UHFFFAOYSA-N	301.277	1.877	50	20	DDGD	
COc1ccc(NNC(=O)CNC(=O)CC2CCCCC2)nc1	159238230	ODLFDSARSCNTSM-UHFFFAOYSA-N	320.393	1.620	50	20	DDGD	
CCN(CC)c1ccc(C(=O)NNC(=O)c2cnn(C)c2)cc1	8138091	GYMZNAGILPMQBH-UHFFFAOYSA-N	315.377	1.341	50	20	DDGD	
Cn1cc(C(=O)NNC(=S)Nc2ccc(Cl)cc2)cn1	8184078	ODHSLZUPDJPESJ-UHFFFAOYSA-N	309.782	1.705	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@@H](C)N(C)C2CC2)cc1	105266314	QNUYXIAECRZAPR-GFCCVEGCSA-N	318.421	1.676	50	20	DDGD	
Cc1ccc(OCCCNC(=O)NNc2ncccn2)cc1	102025526	VLWRUVXKPFXOTH-UHFFFAOYSA-N	301.350	1.880	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNC(=O)c1cccc(N(C)C)c1	104208745	IXTDNRFRWPSXLZ-OAHLLOKOSA-N	318.421	1.388	50	20	DDGD	
COc1ccc(C2(C(=O)NNC(=O)NC3CC3)CCCC2)cc1	58861837	JPPSOPRZHXVHFO-UHFFFAOYSA-N	317.389	2.000	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H]1CC(=O)N(C2CC2)C1	178139548	MOFHCIGCQSNBLT-NSHDSACASA-N	324.812	1.232	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1ccccc1OCCOC	176675375	CMQUBKMHRHFFCB-NTCAYCPXSA-N	318.373	1.771	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC2CCN(C(C)(C)C)CC2)o1	177276532	IANACYZQWUJKHO-UHFFFAOYSA-N	322.409	1.795	50	20	DDGD	
C[C@H]1CC[C@@H](CCC(=O)NNC(=O)c2cccc(N(C)C)c2)O1	174922311	PENAMIYWPGDFPF-WFASDCNBSA-N	319.405	1.861	50	20	DDGD	
C[C@@H]1CN(CCCNC(=O)NNc2ccccc2)C[C@@H](C)O1	114920419	ZJUOIKOIRHOIIF-ZIAGYGMSSA-N	306.410	1.812	50	20	DDGD	
C[C@@H](Oc1cccnc1)C(=O)NNC(=O)NC1CCCCC1	172098045	TXIJSIUWDCPKBZ-LLVKDONJSA-N	306.366	1.512	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CC(C2CC2)C2CC2)c1O	65216406	KCGDDYSXVXVKEK-UHFFFAOYSA-N	318.373	1.988	50	20	DDGD	
Cc1ccccc1O[C@H](C)CNC(=O)NNC(=O)c1ccc[nH]1	173210492	GSOBGDABQANOPC-GFCCVEGCSA-N	316.361	1.735	50	20	DDGD	
COc1ccc2c(c1)C[C@H](C(=O)NNc1cnccn1)CO2	114879495	BXMBVRUPVKVBIK-NSHDSACASA-N	300.318	1.180	50	20	DDGD	
O=C(CSc1ccc([N+](=O)[O-])cc1)NNc1cnccn1	114880756	KGSYTFLDOIGEJP-UHFFFAOYSA-N	305.319	1.620	50	20	DDGD	
CCOC(=O)NNC(=O)Cn1cc(C(=O)OC)c2ccccc21	21772111	ZBXLRMJITYXPQR-UHFFFAOYSA-N	319.317	1.205	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(F)c(F)cc1F)N1CCN(C)CC1	172087156	RNRBLSKQYXMMQN-VIFPVBQESA-N	316.327	1.183	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](C)c2nnc3ccccn23)nn1	171553258	JVTLJSMBJWAVGJ-JTQLQIEISA-N	312.337	1.215	50	20	DDGD	
COCC(=O)N(C)CC(=O)NNc1c(Cl)cccc1Cl	179186386	AMLKPHTXJJMIBR-UHFFFAOYSA-N	320.176	1.541	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCc2ccc(C)nc2)n1	175497924	QEROSVBSMCUQJJ-UHFFFAOYSA-N	316.365	1.366	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1[nH]nc2c1CCCC2	126971882	FWZFEMCGOPRHNC-UHFFFAOYSA-N	301.306	1.954	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc(Cl)cc2)nn1	123736197	SGWUIGYRPUHHPF-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cn(-c2ccccc2)nn1	121113695	YDBGEARSZAQCNM-UHFFFAOYSA-N	303.322	1.437	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1cc(C2CC2)[nH]c(=O)c1	186376231	OKKWKRCGBGSRFO-UHFFFAOYSA-N	321.340	1.952	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1ccc(-n2cccn2)cc1	185216388	YIQJTNKQBGFZOK-UHFFFAOYSA-N	321.340	1.954	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)c(C)o1	78345891	IIKBAEBQBNIYOO-RYUDHWBXSA-N	323.393	1.157	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)Nc1ccc2ncsc2c1	183831538	UXXCESXTJDDVBY-UHFFFAOYSA-N	316.346	1.415	50	20	DDGD	
O=C(NNc1nc2ccccc2c(=O)[nH]1)c1ccc(F)cc1O	124110996	UOXKCHAUNBULKB-UHFFFAOYSA-N	314.276	1.525	50	20	DDGD	
Cc1coc(-c2ccc(C)c(NC(=O)NNC(=O)CO)c2)n1	186618488	VOALQKPKKDIDHJ-UHFFFAOYSA-N	304.306	1.103	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1ccc(Cl)cc1	79218195	BHUPWXMSGBLXIZ-SKDRFNHKSA-N	311.769	1.910	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	122927974	PBBIFSINOAAONB-UHFFFAOYSA-N	322.212	1.189	50	20	DDGD	
N#Cc1cc(F)ccc1NC(=O)C(=O)NNc1cccc(F)c1	120872650	OHWMQJLXSUGRHP-UHFFFAOYSA-N	316.267	1.918	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)c1cccn1C	78275306	MMNBDMILASWAEG-IINYFYTJSA-N	315.329	1.015	50	20	DDGD	
CN(NC(=O)CCc1cccc(OC2CCCC2)c1)C(N)=O	181093391	BDZZFSAJHQARSQ-UHFFFAOYSA-N	305.378	1.982	50	20	DDGD	
O=C(NNc1cccnn1)NC1CCN(CC2CCCC2)CC1	77350415	PHSJBIOEYQISPA-UHFFFAOYSA-N	318.425	1.757	50	20	DDGD	
COc1nccnc1NNC(=O)CCCOc1ccccc1F	131988196	OZZROUNHTYNZPO-UHFFFAOYSA-N	320.324	1.927	50	20	DDGD	
CC[C@@H](C)Oc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1	186127393	YITQVRRQRMPEPG-LLVKDONJSA-N	316.361	1.591	50	20	DDGD	
O=C(CC[C@@H]1CCCO1)NNC(=O)c1ccc2c(c1)OCCO2	46181064	RDCDSLHAFDHEHI-LBPRGKRZSA-N	320.345	1.178	50	20	DDGD	
CC(C)CCC[C@H](C)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1	42930096	BXKYIJRTJLZWJE-GXTWGEPZSA-N	319.471	1.582	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccn(C)n2)cc1OC	134489694	UMRVPXSWIQQYRT-WQLSENKSSA-N	312.329	1.983	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2c(F)cccc2F)c(O)c1	88253908	CESGFNSHMVLSQD-UHFFFAOYSA-N	320.295	1.983	50	20	DDGD	
CC(C)(CO)CNS(=O)(=O)c1ccc(CCCl)cc1	135159351	IFCZNVNGFSDBLL-UHFFFAOYSA-N	305.827	1.765	50	20	DDGD	
Cc1cccc(NNC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1	192836527	HBHQXZIYRIXTLY-ZIAGYGMSSA-N	315.373	1.613	50	20	DDGD	
N#C/C(=C\c1csnn1)C(=O)Nc1ccc2c(c1)OCCO2	45745725	FCVWDQDYHFMMSI-WEVVVXLNSA-N	314.326	1.855	50	20	DDGD	
CN1CCc2cc(/C=C(\C#N)S(=O)(=O)NC3CC3)ccc21	195310059	RZXDECZPCYXNSV-NTEUORMPSA-N	303.387	1.625	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2ccccc2F)n(C)n1	137245049	AYHUNEFVOMLPGZ-UHFFFAOYSA-N	305.313	1.203	50	20	DDGD	
N#Cc1csc(C(=O)NNC(=O)Cc2ccccc2F)c1	84109120	HWDVEZOSOOZCQX-UHFFFAOYSA-N	303.318	1.763	50	20	DDGD	
COc1cccc(C)c1NC(=O)NNC(=O)c1cnn(C)c1	195001770	UOHVXTPIINCBBO-UHFFFAOYSA-N	303.322	1.204	50	20	DDGD	
COCc1ccc(C(=O)NNC(=O)c2ccc(C)cc2O)cc1	80387734	LABHOQLIONLAJU-UHFFFAOYSA-N	314.341	1.922	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)CCc1ccc(C#N)cc1)C1CC1	83676385	MEKOFWRQJZGLNH-NSHDSACASA-N	316.430	1.785	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1F)c1ccc(O)nn1	82991394	CGURFFBOGBYUFT-UHFFFAOYSA-N	310.672	1.050	50	20	DDGD	
C[C@H](O)CN1CCN(C[C@@H](CBr)C2CC2)CC1	859119143	WSOCULCZPSHKIS-WCQYABFASA-N	305.260	1.406	50	20	DDGD	
O=C(NCCc1c[nH]c2ccccc12)NNC(=O)C1CCC1	264753501	OETCXUUMSMNIPV-UHFFFAOYSA-N	300.362	1.841	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNC(=O)C(C)(C)c1ccccc1	264598466	BYTZNHVFDWSKSW-UHFFFAOYSA-N	315.373	1.959	50	20	DDGD	
CCS(=O)(=O)CC(=O)NNc1cc(Cl)ccc1Cl	267812158	FRHFOENFLNAFMY-UHFFFAOYSA-N	311.190	1.871	50	20	DDGD	
CNC(=O)NNC(=O)CCc1ccccc1OC(F)(F)F	263856730	BJNBYUHAISUILT-UHFFFAOYSA-N	305.256	1.478	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc2nc(O)ccc2c1	267504941	IMGFNEHKBNIUQX-SECBINFHSA-N	323.374	1.296	50	20	DDGD	
CC[C@H](C)Oc1ccc(C(=O)NNC(=O)NCCCOC)cc1	267306285	ALSFUFRRFWJQIY-LBPRGKRZSA-N	323.393	1.844	50	20	DDGD	
CCC[C@@H](NNC(=O)COCc1ccccc1)C(=O)OCC	266482892	QROXUQQJMRKLLX-CQSZACIVSA-N	308.378	1.556	50	20	DDGD	
C[C@H]1C(=O)NCCCN1C(=O)[C@H](Br)C(C)(C)C	365091452	UQMPAELYNAATLZ-IUCAKERBSA-N	305.216	1.533	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)n1	363575144	NTGSZQJMHDPACP-JHJVBQTASA-N	319.409	1.923	50	20	DDGD	
CCOc1cc(C)ccc1NC(=O)C(=O)NNC(=O)C1CCC1	274026416	CNDLEKPVTFIYAJ-UHFFFAOYSA-N	319.361	1.280	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(OCC(=O)NC)cc1C	279896621	INJDKYRSOPKYOX-FMIVXFBMSA-N	317.345	1.502	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccc(-c2ccccc2)nn1)C(=O)OC	283440105	YVHCUDNQXFGKRE-LBPRGKRZSA-N	314.345	1.786	50	20	DDGD	
C[C@H]1OCCN[C@@H]1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	285609916	VGKDFGQVDGITHJ-HQJQHLMTSA-N	314.729	1.068	50	20	DDGD	
CSCC(C)(C)C(=O)NNC(=O)COc1ccc(F)cc1	281992497	IHAMIRWUTJIXBG-UHFFFAOYSA-N	314.382	1.741	50	20	DDGD	
COc1ccnc(NNC(=O)c2cccnc2OC(C)C)n1	287521269	KKOJCZWNOCYKRK-UHFFFAOYSA-N	303.322	1.424	50	20	DDGD	
CC(=O)N1CCC[C@H]1C(=O)NNC(=O)Nc1ccc(Cl)cc1	283750788	KSOCKGSXIALOAL-LBPRGKRZSA-N	324.768	1.504	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNC(=O)CCc1ccc(OC)cc1	286999466	DUIGUKJTXCBJKQ-INIZCTEOSA-N	303.362	1.715	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H]1C[C@@H](c2ccccc2)OC1=O	289320837	TVEBWOBPWQSPEP-RYUDHWBXSA-N	304.346	1.484	50	20	DDGD	
COC[C@H](CO)NS(=O)(=O)c1ccc(CCCCl)cc1	280131918	DMNPLDIMLKZHGS-LBPRGKRZSA-N	321.826	1.144	50	20	DDGD	
COC(=O)[C@H]1CC[C@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1C	288629479	KCCGQXBQYBKMFJ-MNOVXSKESA-N	307.306	1.546	50	20	DDGD	
COC(=O)Cc1occc1C(=O)NNc1nc(C)cc(C)n1	282859047	CNWVISAKXMFSSD-UHFFFAOYSA-N	304.306	1.159	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ncc(Cc2ccccc2F)s1	806790722	LGSHOOBEHVDDCD-UHFFFAOYSA-N	324.337	1.018	50	20	DDGD	
CC(C)CCn1cc(C(=O)NNC(=O)Nc2ccccc2)nn1	801990598	QNUDKVOXVXKPBT-UHFFFAOYSA-N	316.365	1.791	50	20	DDGD	
COC(=O)NNC(=O)Nc1cccc(C(=O)N2CCCC2)c1C	299479016	BWHOEUUVIMMFES-UHFFFAOYSA-N	320.349	1.624	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)CCOCC(F)(F)C(F)F	806784800	ATRQJCFFARPLTA-UHFFFAOYSA-N	316.295	1.877	50	20	DDGD	
CCCN(CCO)C(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	298363642	WEJGUFJMFYKKCU-RIYZIHGNSA-N	300.362	1.343	50	20	DDGD	
COC(=O)N(C)NC(=O)CCc1c(C)nc2ccnn2c1C	804123933	MRJNQICDOMMMQI-UHFFFAOYSA-N	305.338	1.008	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1cc2c([nH]1)CCCC2	296954589	YBFNKYBXESFJOA-UHFFFAOYSA-N	323.360	1.626	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1ccc2ncccc2c1	802027016	NQKZLFAICKGPTK-UHFFFAOYSA-N	307.313	1.518	50	20	DDGD	
O=C(NCC[C@H]1CCCCO1)NNc1ncc(F)cc1F	297295561	LZVNERVPNOJHBV-SNVBAGLBSA-N	300.309	1.945	50	20	DDGD	
C[C@H](O)C(=O)N1CCN(CCO[Si](C)(C)C(C)(C)C)CC1	808741570	JFBGSCXDUFNHKL-ZDUSSCGKSA-N	316.518	1.533	50	20	DDGD	
CO[C@H]1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)[C@H](C)C1	298565296	PTSJNKOYWHAZBV-RISCZKNCSA-N	323.368	1.086	50	20	DDGD	
COCc1cnc(NC(=O)NNC(=O)c2cccnc2)s1	806606228	CREOGUGZRBQOCR-UHFFFAOYSA-N	307.335	1.151	50	20	DDGD	
COc1ccc(Cl)cc1NCCC(=O)NNc1nnc[nH]1	298559412	ZCGKKHXMTCXPFE-UHFFFAOYSA-N	310.745	1.412	50	20	DDGD	
O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCC(Cl)Cl	294288194	HAHDSNNDVCGYJV-OCAPTIKFSA-N	307.177	1.082	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc(-c2ccccn2)cc1	810335026	HRFWBPVFLYKQEJ-UHFFFAOYSA-N	313.361	1.463	50	20	DDGD	
CCCC(=NNC(=O)[C@H](C)CN1CCOCC1)c1cccnc1	814763311	YNBCVBHRXYVVRI-CQSZACIVSA-N	318.421	1.670	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1cc(O)ccc1Br	814957138	MFRNGKOPUAXSOO-UHFFFAOYSA-N	323.150	1.571	50	20	DDGD	
C=C[C@@H](O)C(=O)NNC(=O)c1sc(-c2ccccc2)nc1C	816827377	PMFBYIDDUOGKPT-LLVKDONJSA-N	317.370	1.426	50	20	DDGD	
CN(NC(=O)COc1cccc(NC(=O)C2CC2)c1)C1CC1	819645938	WUXKTXKSYDYDQZ-UHFFFAOYSA-N	303.362	1.539	50	20	DDGD	
CS(=O)(=O)CC1CCC(=NNC(=O)CC(F)(F)F)CC1	814811854	WIDAQOSHULDFRY-UHFFFAOYSA-N	314.329	1.646	50	20	DDGD	
O=S(=O)(CBr)NCC[C@@]1(O)C[C@H]2CC[C@H]1C2	813721695	AXEWBOTYPHWXJF-LPEHRKFASA-N	312.229	1.199	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)Cc2ccccc2C)n1C	814873762	PGEQSAMDIOTBJR-UHFFFAOYSA-N	313.357	1.813	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)Cc2cc[nH]n2)cc1OC	814954504	GWZQBEWACHRHOL-UHFFFAOYSA-N	302.334	1.510	50	20	DDGD	
CC[C@H](C(=O)NN=C1CCS(=O)(=O)CC1)c1ccccc1	814845662	RBLVJCHHUZJPML-AWEZNQCLSA-N	308.403	1.861	50	20	DDGD	
CC1(C)CCC[C@]1(O)CNS(=O)(=O)CBr	815063323	ZMVGMUPUSNOUIF-VIFPVBQESA-N	300.218	1.199	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1ccc(-n2c(C)cnc2O)cc1	814910188	SOKMQSYRXRHIQT-UHFFFAOYSA-N	316.361	1.497	50	20	DDGD	
Cc1ncc2n1CC[C@@H](C(=O)NN=c1cc[nH]c3ccccc13)C2	810361152	JVTKKEFPXCHTFN-CYBMUJFWSA-N	321.384	1.867	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCO[C@H](C(F)(F)F)C1	814865545	SWOAXLXSAGSNRH-SCZZXKLOSA-N	312.288	1.251	50	20	DDGD	
CC1=C(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)CCC1	817054380	HQRJRVXHJYGKCY-UHFFFAOYSA-N	323.418	1.880	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CC(c2cc(F)cc(F)c2)C1	814900616	AMIOEUBRPLRTLS-UHFFFAOYSA-N	311.288	1.670	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1ccccc1C#N	814869717	STWNYMFFSRYDEO-UHFFFAOYSA-N	307.313	1.432	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NC[C@@H](O)c2ccccc2)c1	728953107	MQDNSWCEGSZCCF-OAHLLOKOSA-N	324.340	1.236	50	20	DDGD	
Cn1ccnc1[C@H](NS(=O)(=O)CCl)c1cccc(F)c1	820781572	ACUWWXVTEUOUKI-LLVKDONJSA-N	317.773	1.764	50	20	DDGD	
Cc1cc(COc2ccc(C=NNC(N)=O)cc2)oc1C(=O)O	729931348	AWWKWCFTYAYWNT-UHFFFAOYSA-N	317.301	1.867	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cc(F)ccc1Cl	495443981	VZLGTTKXIHBNTA-UHFFFAOYSA-N	303.677	1.195	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H](C(=O)NNc1ncccn1)C1CCC1	496334492	XZLXRXPQKNNVEJ-NSHDSACASA-N	321.381	1.613	50	20	DDGD	
COC(=O)N(C)N=Cc1c(C)nn(CC(=O)OC(C)C)c1C	496365541	QFWDZWFMXLQGQX-UHFFFAOYSA-N	310.354	1.484	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C\c1ccccc1OCC(=O)N(C)C	490610786	LXGRBQRJWHPHDU-UVTDQMKNSA-N	313.357	1.363	50	20	DDGD	
Cc1cc(Cl)ccc1O[C@H](C)C(=O)NN(C)[C@H](C)CO	823987377	GXSXQPMMEDSHKE-GHMZBOCLSA-N	300.786	1.760	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc(-c2nn[nH]n2)s1	821189431	MDBDATUCLADHGT-UHFFFAOYSA-N	321.410	1.110	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C[C@@H]2CC[C@H]3C[C@H]23)c1	824044539	SRQHKWIOYGSXCH-HUBLWGQQSA-N	317.389	1.691	50	20	DDGD	
CN(C)CC(=O)NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1	727649587	NDWIUTUGEMRKNJ-UHFFFAOYSA-N	316.317	1.867	50	20	DDGD	
CCC[C@](C)(NC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)OC	491052708	WNCOMTKAUWNMMJ-XCHKQJEOSA-N	304.350	1.175	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)Cc1cn(C)nc1C	822966421	PVCXWGURLWATNM-UHFFFAOYSA-N	305.290	1.793	50	20	DDGD	
C/C=C/C=C\C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	492323019	UGVBVXQGWIYOOG-UQIVLYAPSA-N	311.382	1.571	50	20	DDGD	
CC(C)(C)OC(=O)[C@@H](C(=O)NNC(=O)C1CCC1)C(C)(C)C	827215911	GYVJFRYSDRXCPC-LLVKDONJSA-N	312.410	1.938	50	20	DDGD	
CCOc1ccc(OCCCC(=O)NN(C)[C@H](C)CO)cc1	823987091	FCYWJWZRQYNPRJ-CYBMUJFWSA-N	310.394	1.588	50	20	DDGD	
CC(C)Oc1ccc(NCc2ccc(B(O)O)o2)cc1C#N	585033202	AAXWHAQORMOWNE-UHFFFAOYSA-N	300.123	1.230	50	20	DDGD	
CN(CC[C@H]1CCCCN1C)C(=O)/C(C#N)=C/c1cnn(C)c1	491108871	YQEWMPXFSSFDIO-AAGJOFLKSA-N	315.421	1.660	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(Br)c(F)cc1F	823929022	UKOQYWPGXCSVAQ-ZCFIWIBFSA-N	323.137	1.685	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2C[C@H]3c4ccccc4CC[C@@H]23)c1	585049432	GQUDRPKSFUVJTQ-CEXWTWQISA-N	307.202	1.575	50	20	DDGD	
CN(NC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1CC1	497290788	YJRIROCPANETTQ-SECBINFHSA-N	307.341	1.660	50	20	DDGD	
CN(C)[C@@H]1CCc2cc(NC(=O)c3cccc(B(O)O)c3)ccc21	584997440	GMDNWAUEMCELEH-QGZVFWFLSA-N	324.189	1.168	50	20	DDGD	
CC(C)COC[C@@H](O)CNC(=O)/C(C#N)=C/c1ccc(O)cc1	491175228	KLPICQJLWIVQMU-KAMPRCONSA-N	318.373	1.449	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CCC2)ccc1N1CCNC1=O	732142501	CMMJEVRTIKOUIJ-UHFFFAOYSA-N	316.361	1.086	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)c2c(C)nn(C)c2C)nc(C)n1	736716595	POKYQWWNYNXTDU-SECBINFHSA-N	302.382	1.691	50	20	DDGD	
C[C@@H]1OC(=O)N[C@@H]1C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	496376760	BUSINZTUTGYEQW-CDUCUWFYSA-N	314.685	1.188	50	20	DDGD	
C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)NNc1ncccn1	495843391	UFBCCHODXRSDPN-SNVBAGLBSA-N	324.385	1.406	50	20	DDGD	
CCN(CC)C(=O)CCCC(=O)NNc1ncc(F)cc1F	837205565	BTGALTMFVDOTRX-UHFFFAOYSA-N	314.336	1.842	50	20	DDGD	
CC1(C)[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1ccccc1	584998834	ROSFKGXJDDGEDK-IRXDYDNUSA-N	323.201	1.536	50	20	DDGD	
C[C@]1(C(=O)Nn2cc(Br)cn2)C[C@@H]1Br	907105644	UZEMPTLNHODLBK-XPUUQOCRSA-N	322.988	1.889	50	20	DDGD	
CN(C)c1cccc(CNC(=O)[C@]2(C)C[C@@H]2Br)n1	907125170	HVQUTHJSPVJCMJ-GXFFZTMASA-N	312.211	1.937	50	20	DDGD	
CC(=NNC(=O)c1c[nH]nc1C)c1ccc2c(c1)OCCO2	735411455	DQDHLXCODSDJRD-UHFFFAOYSA-N	300.318	1.643	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCN(c2ccccc2C)CC1	732196591	CQFLCQKTXXWLDK-CQSZACIVSA-N	318.421	1.063	50	20	DDGD	
CO[C@@H]1CCN(C(=O)NNC(=O)c2cccc(C#N)c2)C[C@H]1C	836277408	YEVFQDLLLHSOMH-BXUZGUMPSA-N	316.361	1.269	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cnn([C@H](C)c2ccccc2)c1	831927629	OQOFCHNRDUEEKX-LLVKDONJSA-N	317.349	1.292	50	20	DDGD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NNc1cnnc2ccccc12	733810891	DKPSBHXFNIIFKO-RYUDHWBXSA-N	316.361	1.657	50	20	DDGD	
Cn1c(C(=O)NN=c2cc[nH]c3ccccc23)ccc1[N+](=O)[O-]	730288695	WVMFNQJDAMOMOW-UHFFFAOYSA-N	311.301	1.660	50	20	DDGD	
CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NNC(C)=O)O[C@H](C)C2	730585572	YOUOEFKQURYRGR-LJWDBELGSA-N	318.373	1.680	50	20	DDGD	
Cc1cc(C(=O)NNc2nccnc2Cl)c2c(C)n[nH]c2n1	734263000	VGLWOUUNOLQFPZ-UHFFFAOYSA-N	317.740	1.775	50	20	DDGD	
C[C@H](NC(=O)[C@@]1(C)C[C@H]1Br)C(=O)NC(C)(C)C	906404949	PFYZKLCFNYZBLW-SXMVTHIZSA-N	305.216	1.579	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)cc1)c1nc2c(s1)CCC2	585046285	PBDKWFTYVZGJAB-JTQLQIEISA-N	302.208	1.162	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)C2CC(C)(C)C2)cc1	839192618	SGDIESBCCJRDCO-UHFFFAOYSA-N	303.406	1.876	50	20	DDGD	
CCn1cc([C@@H](C)NCC(=O)NNC(=O)c2cccs2)cn1	832309721	KALMCYDKJXBDPG-SNVBAGLBSA-N	321.406	1.076	50	20	DDGD	
COCCOc1ccc(C=NNC(=O)c2c[nH]nc2C)cc1	735406880	QNVLQWGMTKJOCQ-UHFFFAOYSA-N	302.334	1.507	50	20	DDGD	
CO[C@H]1CC(=NNC(=O)c2cc([N+](=O)[O-])ccc2O)C12CCC2	834961846	KMZIVIKVXLAKGI-ZDUSSCGKSA-N	319.317	1.975	50	20	DDGD	
C=CCNC(=S)NNC(=O)C[C@H]1CCc2ccccc2C1	732576882	ADHRVXNGPDYCGH-LBPRGKRZSA-N	303.431	1.863	50	20	DDGD	
CCCN1C[C@@H](C(=O)NN=c2cc[nH]c3ccccc23)CC1=O	839664108	ORFMBOKVRIOLHC-LBPRGKRZSA-N	312.373	1.358	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)COc2ccccc2C#N)n1	834927543	MVWUYRLLQHFEBS-UHFFFAOYSA-N	312.333	1.007	50	20	DDGD	
C[C@H](Oc1ccc(C=NNC(=O)[C@@H]2CCCCO2)cc1)C(=O)O	834984969	FLCRCCIPLHUKMP-FZMZJTMJSA-N	320.345	1.558	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1)c1ncon1	832826183	SPWAJPDSPWEHEA-CHWSQXEVSA-N	314.345	1.805	50	20	DDGD	
C[C@@H](N)C[C@@H](C)NC(=O)NNC(=O)Cn1ccc2ccccc21	831212904	XZUIDPQECUMYMU-VXGBXAGGSA-N	317.393	1.098	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCOC[C@@H]1c1ccco1	735078717	QWXPBTCWIPXIMK-CHWSQXEVSA-N	323.393	1.235	50	20	DDGD	
CC(C)C(=O)N(C)Cc1ccc(C(=O)NN(C)C[C@H](C)O)cc1	910164194	VQBHDBPTJQNHCC-ZDUSSCGKSA-N	321.421	1.258	50	20	DDGD	
Cc1noc(NC(=O)NNC(=O)COc2ccc(C)c(C)c2)n1	836494259	QRFOJSFUGPWSGV-UHFFFAOYSA-N	319.321	1.227	50	20	DDGD	
C[C@@H]1C[C@H]1c1ccc(CNC(=O)NNC(=O)[C@H]2CCCCO2)o1	836227100	INCBMKKWEVZICO-MPKXVKKWSA-N	321.377	1.803	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCCCCCC(=O)OC(C)(C)C	743702851	FAZMGPUHGCBINX-UHFFFAOYSA-N	315.414	1.875	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NCCOC(C)C)ccc1F	838551085	UIGADQPLGDTRNH-UHFFFAOYSA-N	313.329	1.663	50	20	DDGD	
CCn1ccnc1[C@@H](C)NC(=O)NNc1ncc(F)cc1F	838689350	RZDCGWDUSRSZDQ-MRVPVSSYSA-N	310.308	1.964	50	20	DDGD	
COCCOCC(=O)NNc1ccc(Br)cc1C	748731797	PBJZAGONXVPFDR-UHFFFAOYSA-N	317.183	1.864	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccc(C)cc2)ccc1=O	917409005	AMPZEKLNQQBZPY-UHFFFAOYSA-N	301.346	1.560	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1occc1Br	842556070	RTZDIPBNSOMFDI-YUMQZZPRSA-N	301.140	1.917	50	20	DDGD	
CCc1c(C(=O)NNc2oc(C(C)C)nc2C#N)cnn1C	746526256	XEZROAUXQUJXTO-UHFFFAOYSA-N	302.338	1.722	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1CNC(=O)NNC(=O)c1ncccn1	841588136	ZLZLACJJMWCICU-NWDGAFQWSA-N	305.382	1.637	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCO[C@H]2C)cc2c1OCO2	842560439	XQKVBKLTGSWJSQ-GXSJLCMTSA-N	306.318	1.299	50	20	DDGD	
COc1ccc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)o1	848850887	ATBAXXRGAOTWSM-VIFPVBQESA-N	312.322	1.027	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)OCC(F)(F)F)c1C1CC1	912597279	PIOAOUUWWXPKRI-UHFFFAOYSA-N	320.271	1.714	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC[C@H](N)C(C)C)c1ccccc1	841944595	LXSPPCRFOSOHGC-KBPBESRZSA-N	306.410	1.494	50	20	DDGD	
Cc1cc(C)n([C@@H](C)CC(=O)NNC(=O)c2ccncc2)n1	915799702	BQZGXHVVKJZCAE-LBPRGKRZSA-N	301.350	1.307	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C(=O)c1ccc(Cl)s1	843657798	QELGACIDDYJDRK-RQJHMYQMSA-N	316.766	1.157	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1	910156040	QQNLKRJIKYWSEO-HQJQHLMTSA-N	307.177	1.371	50	20	DDGD	
CCn1nc(C(=O)NNc2cccc([N+](=O)[O-])c2C)ccc1=O	748682473	CUUHATBDPFWBGX-UHFFFAOYSA-N	317.305	1.237	50	20	DDGD	
Cn1c(NNC(=O)[C@@H]2CCc3ncncc3C2)nc2ccccc21	848381842	VONWMFAUPZPICR-LLVKDONJSA-N	322.372	1.612	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNc1ncc(Br)cn1	848322121	QRIOUFXMGWZQRR-SVRRBLITSA-N	301.144	1.107	50	20	DDGD	
Cc1cc(O[C@@H](C)C(=O)NN(C)C[C@H](C)O)ccc1Cl	910171476	YIGXXSWQQHSIFL-QWRGUYRKSA-N	300.786	1.760	50	20	DDGD	
C[C@H](c1cccc(O)c1)N(C)CC(=O)NNC(=O)C(C)(C)C	744402112	JDKBLPRIEUFUML-LLVKDONJSA-N	307.394	1.579	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2c(C)nc(C(C)C)nc2O)n1	747352310	GNHPHBVSCVZVSN-UHFFFAOYSA-N	316.365	1.778	50	20	DDGD	
O=C(CC1CC1)NNC(=S)N[C@H]1CCOc2ccccc21	840764310	ROLDRPVUFYCNAS-LBPRGKRZSA-N	305.403	1.806	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCCOC1CCC1	743694473	DBVDWHUTAMLYEZ-UHFFFAOYSA-N	306.366	1.900	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCCO2)NNC(=O)C1CCCC1	843528446	SYPYFAUEDRWBFP-UHFFFAOYSA-N	302.374	1.892	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC[C@H]1CCCCN1)c1ccccc1	841919481	AKEGSULXSUBBEC-HUUCEWRRSA-N	318.421	1.653	50	20	DDGD	
CCCC(C)(C)C(=O)NNc1nccc(N2CCOCC2)n1	846640315	WXBYMQXEHYLTQN-UHFFFAOYSA-N	307.398	1.583	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2ccc(C#N)o2)n1	743423751	VVIRPAUQDSRCCG-UHFFFAOYSA-N	315.358	1.801	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C1(n2cnnn2)CCCCC1	845931432	RIIXWHNDVVPXTO-UHFFFAOYSA-N	305.317	1.010	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCCC[C@H]2CN)c1	841952020	ZDVJMJMDWLFAJQ-UONOGXRCSA-N	315.377	1.020	50	20	DDGD	
CN(C)CC(=O)NN=Cc1cc(Br)cnc1Cl	842526217	OMYJTPYVFKALIO-UHFFFAOYSA-N	319.590	1.509	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)cc(Cl)c1O	842560748	YYVOJSQBDNPWAT-PSASIEDQSA-N	312.753	1.929	50	20	DDGD	
CCC(=O)NNC(=O)Nc1c(C)cccc1C(=O)N1CCCC1	755646485	KLSBKHNXDGFQIR-UHFFFAOYSA-N	318.377	1.794	50	20	DDGD	
COc1ccc(SC)c(OC)c1C(=O)NNc1cccnn1	753077063	FJEHAXJSXPVDEZ-UHFFFAOYSA-N	320.374	1.973	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN(C)C(=S)NC	854922398	IXROJTXAGSSASQ-UHFFFAOYSA-N	305.407	1.066	50	20	DDGD	
N#CSCCCNC(=O)C1CCN([C@@H]2CCSC2)CC1	854360316	MDZUVMHYKROXMN-CYBMUJFWSA-N	313.492	1.924	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NN=CC[C@H]1CCOC1	853375025	YNPGOLPKTGBYNH-BFHYXJOUSA-N	320.393	1.416	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC[C@H]1c1ccc(F)cc1	852467115	FPCSFYVIZMZXPT-ZDUSSCGKSA-N	307.369	1.766	50	20	DDGD	
CCOC[C@H](C(=O)OC)N(C)C[C@H](CBr)C1CC1	859200719	KIRMJPZBYGKMSV-NWDGAFQWSA-N	322.243	1.917	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H](C)OCC(C)C)c1O	920809435	JMXUVDALRPXSHE-SNVBAGLBSA-N	310.350	1.223	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)NCC1=CCCC1	851915064	GWQPNSHNDPMASH-UHFFFAOYSA-N	307.325	1.645	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H](C)Cc1ccc(F)cc1	921028245	VTIVLRZEBKHIBQ-LLVKDONJSA-N	311.357	1.371	50	20	DDGD	
C[C@]1(CNC(=O)CCN2CCCC2=O)C[C@@H]1Br	857404860	ZYSRFRIQVPOCCY-JOYOIKCWSA-N	303.200	1.289	50	20	DDGD	
COCCN(CCOC)C(=O)NC[C@@]1(C)C[C@H]1Br	856754145	CLEXZTCRXCSVEV-ZYHUDNBSSA-N	323.231	1.464	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@H]2C=NNC(=O)c2c[nH]nc2C)cn1	853309598	SZKULFNIFLAPOI-SMDDNHRTSA-N	316.365	1.428	50	20	DDGD	
CN1CCCC(=NNC(=O)[C@@H]2COc3ccccc3O2)CC1	758092286	QEXWLBPAALHYIS-HNNXBMFYSA-N	303.362	1.414	50	20	DDGD	
C[C@H](Sc1ccccn1)C(=O)NNC(=S)N[C@@H](C)C1CC1	855098004	CPZDEWRVJVRCTR-UWVGGRQHSA-N	324.475	1.856	50	20	DDGD	
NC(=O)NCCCCC(=O)OC[C@H](CBr)C1CC1	859663530	PNXOUEPYABRACZ-JTQLQIEISA-N	321.215	1.789	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=Cc1ccc(F)cc1	750946055	WTXWYXGFWXGPEH-UHFFFAOYSA-N	305.334	1.767	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(C(=O)OC(C)(C)C)nc1	854927543	LJHVXJPTLAISEX-UHFFFAOYSA-N	324.406	1.118	50	20	DDGD	
CCCCNC(=O)NN=C(C)c1ccc(S(C)(=O)=O)cc1	920752718	OUBITSIKWMJWBT-UHFFFAOYSA-N	311.407	1.913	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1C(=O)Nc2cccc(Cl)c21	750934644	GKKNXFUAKUSPPQ-UHFFFAOYSA-N	322.796	1.844	50	20	DDGD	
C[C@@]1(CNC(=O)NCC(F)(F)CO)C[C@H]1Br	856952977	NIVUQJKRWLEQMD-SVRRBLITSA-N	301.131	1.087	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@@]1(C)C[C@@H]1Br	856831206	CVGBRVQOWSZOLF-WRWORJQWSA-N	306.204	1.536	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)C(=O)Nc1ccccn1)CC(C)(C)C	758832972	BRIQPNPIODGKLM-LLVKDONJSA-N	320.393	1.630	50	20	DDGD	
CC(C)C1(C(=O)NNc2ccc(S(C)(=O)=O)cc2)COC1	935020571	QTCUVFSDJXZMJL-UHFFFAOYSA-N	312.391	1.206	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)[C@@H]1CCCS(=O)(=O)C1	855466043	GDKFUZVODAAFFW-MRVPVSSYSA-N	303.771	1.003	50	20	DDGD	
Cc1cc(F)ccc1C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	853387841	PROYRLFNOGYIJZ-CABCVRRESA-N	305.353	1.447	50	20	DDGD	
CCC[C@H]1C[C@H](C(=O)NNC(=O)c2cccc(F)n2)CCO1	856423569	WPKOSGSZIKYZPN-MNOVXSKESA-N	309.341	1.577	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Nc2c(C)noc2C)c1O	756287344	SOOOIQYDIAKOMY-UHFFFAOYSA-N	320.305	1.472	50	20	DDGD	
CC(C)CN1CCN(C(=O)NNC(=O)C2CCCC2)[C@H](C)C1=O	753337773	YPMUYILLIFEHEK-GFCCVEGCSA-N	324.425	1.106	50	20	DDGD	
CC[C@@H](CC1CCCCC1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1	862455840	RNJZELJZWXEIKY-STQMWFEESA-N	309.410	1.409	50	20	DDGD	
Cc1cc(=NNC(=O)c2coc(C3CCOCC3)n2)cc[nH]1	862514848	YZJYUSPGUAWGPD-UHFFFAOYSA-N	302.334	1.451	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)C2(C#N)CC(C)C2)n1	768245046	YRIVQCKFOALMTL-UHFFFAOYSA-N	302.382	1.706	50	20	DDGD	
CCC(CC)(CC)C(=O)NNC(=O)CNC(=O)c1cccnc1	764344628	GCLHNVREQLXNQS-UHFFFAOYSA-N	320.393	1.175	50	20	DDGD	
COc1cc(C=NNC(=O)CN(C)C)cc(C(F)(F)F)c1	863089444	UTLVDZZFEFIIMA-UHFFFAOYSA-N	303.284	1.726	50	20	DDGD	
CCc1ccc(F)cc1C(=O)NNC(=O)NCC(F)(F)F	868028178	QQIGZFJTJHTKSZ-UHFFFAOYSA-N	307.247	1.894	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=C2CC(C(F)F)C2)C[C@@H](C)O1	766016369	UMUWCLRJJGKZBG-WSMDXJOWSA-N	317.380	1.879	50	20	DDGD	
O=C(NN=Cc1cnc(C2CCCC2)s1)C(=O)NC1CC1	767760850	GSCOYMFXZIOZCI-UHFFFAOYSA-N	306.391	1.529	50	20	DDGD	
CCN(C(=O)/C(C#N)=C/c1cnn(C)c1)C1CCN(C)CC1	861889956	ACOCNCPGIUCPOZ-NTEUORMPSA-N	301.394	1.270	50	20	DDGD	
CO[C@H](C(=O)NNc1ccnc(N(C)C)n1)c1ccc(F)cc1	863883171	WZPAIJVUBWGGJZ-ZDUSSCGKSA-N	319.340	1.513	50	20	DDGD	
CCO[C@H]1COCC[C@H]1NC(=O)NNc1ccc(Cl)nc1	760133545	JSQNHQPPNYSBTF-MNOVXSKESA-N	314.773	1.555	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NNC(=O)c1c[nH]nc1C	767994858	SUAOXHSGXGIDCD-DGCLKSJQSA-N	308.382	1.465	50	20	DDGD	
COc1ccc(C=NNC(=O)N(C)C)c(Br)c1O	761013691	SVLQNKQMBYOGBM-UHFFFAOYSA-N	316.155	1.768	50	20	DDGD	
C[C@H](C[S@@](C)=O)N(C)S(=O)(=O)CC(C)(C)CCl	867095615	UVOIFDDEMHOXFJ-JDNHERCYSA-N	303.877	1.280	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C2(C(C)(F)F)CC2)cc1	1118808477	UURCSCYKJFQFRW-UHFFFAOYSA-N	311.332	1.990	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNC(=O)CC2CC2)c(C)s1	879855814	LCNHFRITYUGRMN-UHFFFAOYSA-N	311.363	1.796	50	20	DDGD	
Cc1oc2ncnc(O)c2c1C(=O)NNC(=O)OC(C)(C)C	767185647	DSYCMKMKXXPJAJ-UHFFFAOYSA-N	308.294	1.406	50	20	DDGD	
CCO[C@@H]1COCC[C@H]1NC(=O)NNc1cccc(C#N)c1	760128718	WEZKQFCISRYUEQ-ZIAGYGMSSA-N	304.350	1.378	50	20	DDGD	
Cc1cc(Cl)ncc1NC(=O)NNC(=O)C1CCOCC1	878964201	CVPNONAGONWKPU-UHFFFAOYSA-N	312.757	1.623	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1c(F)cccc1N1CCCC1	875576425	XVEFESUGNMNNSX-UHFFFAOYSA-N	324.356	1.838	50	20	DDGD	
C#CCO[C@H](C)C(=O)NNC(=S)Nc1cc(C)ccc1C	873756507	LVNREAOUHQSKMY-GFCCVEGCSA-N	305.403	1.659	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc2cc(F)ccc2[nH]1	771932590	YFYPXEPMNHDZKF-MRVPVSSYSA-N	321.308	1.410	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](C)[C@@H]1CCCN(C2CCC2)C1	875477168	IVDYXRURBLJIDM-NWDGAFQWSA-N	312.414	1.552	50	20	DDGD	
Cc1cnc(C(=O)NNC(=S)Nc2ccccn2)c(C)c1	779937973	OYQJVKCHHWWPAQ-UHFFFAOYSA-N	301.375	1.725	50	20	DDGD	
CCO[C@@H](C)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	772965738	FNWYLPAOMUDGEM-VHSXEESVSA-N	314.769	1.680	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1cccc2c1OCCCO2	875398514	KECJFXLZUQFJRH-UHFFFAOYSA-N	309.322	1.260	50	20	DDGD	
CN(CC1CC1)C(=O)NNC(=O)c1nc2ccccc2s1	873297391	BMRNIOMBKBUCBL-UHFFFAOYSA-N	304.375	1.993	50	20	DDGD	
N[C@H]1C[C@H](CNC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)C1	877243438	MABNKYXBUKMRCO-CCJOIDDDSA-N	301.228	1.794	50	20	DDGD	
CCc1cnccc1[C@@H](C)NC(=O)NNC(=O)CC(F)(F)F	774332936	ZIVBHSZRTRQYRU-MRVPVSSYSA-N	318.299	1.988	50	20	DDGD	
Cc1cccc(NNC(=O)NC[C@@H](C(C)C)N2CCOCC2)n1	875042943	BZQAVPAEAPNDBB-AWEZNQCLSA-N	321.425	1.373	50	20	DDGD	
C[C@H](C#N)CSc1ccccc1NC(=O)NNC(=O)CCO	1116610876	KNJOTIZAYFBGJV-SNVBAGLBSA-N	322.390	1.473	50	20	DDGD	
COc1cccc2c(C(=O)NNC(=S)NC(C)C)n[nH]c12	1117702988	RTLGPSXWLCDOMM-UHFFFAOYSA-N	307.379	1.089	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)CCC1CCCCC1	872373827	KYEDXSYNEJTTIA-AAEUAGOBSA-N	318.439	1.332	50	20	DDGD	
C[C@@H](CBr)CN1CC[C@H](NC(=O)NC2CC2)C1	770669364	UWLVTHCUURGSRS-ONGXEEELSA-N	304.232	1.553	50	20	DDGD	
CCNC(=O)c1ccc(C)c(NC(=O)NNC(=O)C(C)C)c1	770333761	WACNXVOYLBHZHN-UHFFFAOYSA-N	306.366	1.553	50	20	DDGD	
COCCOCC(=O)NN=C1CCC[C@@H](c2ccnn2C)C1	872400784	RKDZWRZKMOQAEV-GFCCVEGCSA-N	308.382	1.213	50	20	DDGD	
C#C[C@H](NC(=O)c1c(C)nn(CCCl)c1C)[C@H]1CCCO1	775328795	NVUFXGJTKCWAHZ-QWHCGFSZSA-N	309.797	1.649	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2c(F)cccc2F)c(O)n1	773713109	BLDGSJRYXRYXRD-UHFFFAOYSA-N	322.271	1.456	50	20	DDGD	
O[C@@]1(Cc2cn(/C=C/CBr)nn2)CCSC1	881294861	FISQRVHUMZEWCI-YEQXMLPJSA-N	304.213	1.554	50	20	DDGD	
COc1ccnc(NNC(=O)NCC2(OC)CCCCC2)n1	776185649	UJXVTQWRAQMGOB-UHFFFAOYSA-N	309.370	1.461	50	20	DDGD	
Cc1cc(C)n([C@H](C)CC(=O)NNC(=O)C2CCOCC2)n1	883061793	HRCIEZITJBNYOG-GFCCVEGCSA-N	308.382	1.025	50	20	DDGD	
Cc1cccc(OCCCC(=O)NNC(=O)c2cccnn2)c1	882061504	JMXGHLHVMPINKR-UHFFFAOYSA-N	314.345	1.405	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2cc(O)cs2)nc1C	778510281	GUHGRZLLAGESMF-UHFFFAOYSA-N	322.346	1.486	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ccc(F)cc2Cl)CC1	885136736	GGRCDGQEWAMUDG-UHFFFAOYSA-N	306.746	1.499	50	20	DDGD	
Cc1nc([C@@H]2COCCN2C[C@H](C)CBr)no1	770669391	VOKOKEFFCJAOTA-SCZZXKLOSA-N	304.188	1.782	50	20	DDGD	
CN(NC(=O)COc1ccc(F)cc1Br)C(N)=O	778412897	ZEJKXJQUIKWTQJ-UHFFFAOYSA-N	320.118	1.009	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)N1CC[C@H](CF)C1	883460755	FTLUOZKGJGHTFS-GFCCVEGCSA-N	309.341	1.488	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(N2CCC(C)=N2)cc1	887141999	RUXVNCSCXXOYKF-UHFFFAOYSA-N	312.373	1.837	50	20	DDGD	
Cc1ccccc1OCCCC(=O)NNC(=O)c1cccnn1	882058601	CJSNDRDWGINWGT-UHFFFAOYSA-N	314.345	1.405	50	20	DDGD	
CCNC(=O)NNC(=O)c1c[nH]nc1-c1cc2ccccc2o1	780470704	YZAKQODOWFHUMW-UHFFFAOYSA-N	313.317	1.787	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)n1cc(-c2cccs2)nn1	881291526	SAUFVLNSIAHMMZ-SNVBAGLBSA-N	321.406	1.761	50	20	DDGD	
CCS[C@@H]1CCCC[C@@H]1N[C@H](C)C(=O)NNC(=O)CC	787305596	JTAKGXCDALHKEC-GRYCIOLGSA-N	301.456	1.586	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1csc(Cl)c1	787151577	HURVGIJWPAWGPC-MRVPVSSYSA-N	320.823	1.676	50	20	DDGD	
CN1CCC[C@@H]1c1cc(C(=O)NNC(=O)CC2CCCC2)n[nH]1	896032907	IOVYMXKAWCQBPA-CQSZACIVSA-N	319.409	1.518	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCC(=NNC(=O)NCC(F)(F)F)C1	788426620	UQSWNMDVLPDLCE-QMMMGPOBSA-N	315.317	1.191	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CC[C@@H](n2cncn2)C1	787543837	XACLIFBKZASKOA-SVSAJMPUSA-N	309.329	1.364	50	20	DDGD	
COCCn1cc(C(=O)NNc2cc(Cl)ccn2)c(C)n1	782782871	YTKZBQKKUAFQHI-UHFFFAOYSA-N	309.757	1.643	50	20	DDGD	
CC[C@H]1C[C@@H](CC(=O)NNC(=S)NCC2CCC2)CCO1	781683797	FJJSAKWZGPKANR-STQMWFEESA-N	313.467	1.877	50	20	DDGD	
COCCC1(C(=O)NNC(=S)NC(C)(C)C)CCCC1	899996627	ORWRWAJVQIUBEV-UHFFFAOYSA-N	301.456	1.877	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1c(Cl)cnn1C	780214092	YCTWADNIRMVMSS-UHFFFAOYSA-N	306.753	1.775	50	20	DDGD	
Cc1cc(NNC(=O)CN(C)CCc2ccccc2)nc(C)n1	896457128	DOXVLEORTHTKRD-UHFFFAOYSA-N	313.405	1.711	50	20	DDGD	
CCOC(=O)c1csc(/C(C#N)=C\c2cn(CC)nn2)n1	899350060	SGUOULSBQGEHFG-UITAMQMPSA-N	303.347	1.995	50	20	DDGD	
CN(C)c1ccc(CCC(=O)NNC(=S)NC(C)(C)C)cc1	899992711	HFGYODBJQGQHQF-UHFFFAOYSA-N	322.478	1.979	50	20	DDGD	
O=C(Cc1ccc2c[nH]nc2c1)NNC(=O)NC1CCCC1	793254334	KKWGIPYEDLBVGW-UHFFFAOYSA-N	301.350	1.378	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)c1cn2c(n1)CCCC2	799696559	ZIVCWHYRVLZUHW-UHFFFAOYSA-N	314.374	1.981	50	20	DDGD	
O=S(=O)(CBr)NC[C@H](CO)CC1CCCC1	798473698	OUZPQLJGZOSVGA-SNVBAGLBSA-N	314.245	1.447	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NN=C1CC(=O)N2CCCC[C@@H]12	799472200	LSISLYMVPHEOTE-INIZCTEOSA-N	324.384	1.967	50	20	DDGD	
COCCOC1CCC(C(=O)NNc2ncc(F)cn2)CC1	793749155	QISCTRQPKFBLKI-UHFFFAOYSA-N	312.345	1.281	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc2ccccc2c(=O)n1C	795586553	DSXAGAZMFOPAEJ-UHFFFAOYSA-N	316.361	1.283	50	20	DDGD	
CC(C)[C@H]1CCCC(=NNC(=O)Cc2cc(O)nc(O)n2)C1	794514589	DLQGPWHMSFJZHE-JTQLQIEISA-N	306.366	1.749	50	20	DDGD	
CC(=NNC(=O)CSc1nc(C)cc(C)n1)c1ncc[nH]1	790144448	QVVALDCDRCLSNY-UHFFFAOYSA-N	304.379	1.449	50	20	DDGD	
CSC[C@H]1CCCN([C@@H](C)C(=O)NNC(=O)CC(C)C)C1	795597820	FLQGEROULOUPIY-STQMWFEESA-N	315.483	1.643	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(Cl)cc(C(N)=O)c1OC	794393747	LHPLXKFQHHVNMX-UHFFFAOYSA-N	314.729	1.010	50	20	DDGD	
Cc1cc2n[nH]cc2cc1NC(=O)C(=O)NNc1ccccc1	792260598	MYHZCUKAMBGWBE-UHFFFAOYSA-N	309.329	1.953	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H]1CCC(F)(F)C1	794895346	MKUCDUVDTNQVHM-JTQLQIEISA-N	322.315	1.839	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CCCOc1cccc(F)c1	1317932274	JJKPKORGGXVCLU-UHFFFAOYSA-N	313.398	1.888	50	20	DDGD	
COc1ccc(C(=O)NNc2nncc(N)c2Cl)cc1OC	1319215400	OGAYGOKUMZLFMO-UHFFFAOYSA-N	323.740	1.486	50	20	DDGD	
CC(C)[C@@H](C#N)C=NNC(=O)c1csc(N2CCOCC2)n1	1319612555	IZYGNYULMKYHOS-NSHDSACASA-N	321.406	1.491	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)[C@H]1CCCCCN1	1328593896	PUIPLQFDVPSQIU-LLVKDONJSA-N	302.338	1.107	50	20	DDGD	
O=C(NCc1cccnn1)NNC(=O)c1ccccc1Cl	1321019492	KQXDMSHZTALJOQ-UHFFFAOYSA-N	305.725	1.274	50	20	DDGD	
COc1cc(C)cc(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	1325975340	JLRRBYCDDDIENB-FZMZJTMJSA-N	321.377	1.259	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Cc1c[nH]c2cnccc12	1324222252	MJGDMFUJEVKTRJ-UHFFFAOYSA-N	324.340	1.575	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc2ccccc2c(=O)o1	1321582804	GOCJRATYOHURJQ-UHFFFAOYSA-N	305.359	1.310	50	20	DDGD	
C[C@H]1CCCC[C@@H]1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1326598666	ICOTXFWFZMCCLW-QWRGUYRKSA-N	304.394	1.876	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)C[N+](C)(C)C)CCCO2	1322446635	SLIHNSFQFMRMMP-UHFFFAOYSA-O	306.386	1.394	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccccn1)c1ccccc1Cl	1321170102	OFAPBJLBFDDVDD-GFCCVEGCSA-N	305.721	1.230	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@H]2CCC[C@@H]2OC)cn1	1339129829	GQUDZIBRVHQIMC-QWRGUYRKSA-N	324.406	1.223	50	20	DDGD	
CN(CC1CC1)c1nnnn1C[C@]1(C)C[C@@H]1Br	1337713943	LWTQIBDSHADWAN-ONGXEEELSA-N	300.204	1.693	50	20	DDGD	
COc1ccc(CN(C)S(=O)(=O)CCCCCl)cn1	780822529	VPUALYXRDRJLSA-UHFFFAOYSA-N	306.815	1.871	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)NCC(=O)N1CCCC1	1333461366	LSNCSJANMRZWRD-UHFFFAOYSA-N	310.785	1.897	50	20	DDGD	
CC(C)c1cnc(NC(=O)C(=O)NNc2ncncc2F)s1	1347679713	IPBMAVVQHMBSEY-UHFFFAOYSA-N	324.341	1.277	50	20	DDGD	
Cc1ncncc1C(=O)NNC(=O)Nc1cc(F)cc(F)c1	1340042435	CPLIQJXTXZCROH-UHFFFAOYSA-N	307.260	1.530	50	20	DDGD	
Cc1nccnc1NC(=O)NNC(=O)c1cc2c(s1)CCC2	1263656397	MHAMZGONXDBHRB-UHFFFAOYSA-N	317.374	1.802	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNC(=S)NC(C)(C)C)c1	1605141471	WUMVEMHBKQGVQV-UHFFFAOYSA-N	309.391	1.601	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)[C@H]1CC[C@@H](C(=O)O)C1	1601270288	DOYVAUDMFUHDLM-UONOGXRCSA-N	318.373	1.658	50	20	DDGD	
CC(C)[C@@]1(C)C[C@H]1NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1603237567	DFHHXPOZGXZXNG-QMTHXVAHSA-N	316.369	1.322	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ncccc2C(=O)O)cc1	1604385332	JNJZWMYYKRDONA-UHFFFAOYSA-N	315.285	1.323	50	20	DDGD	
Cn1nccc1CCC(=O)NNc1ccc(C(=O)O)cc1F	1608165458	NMPQZOLZMIWHGL-UHFFFAOYSA-N	306.297	1.333	50	20	DDGD	
Cc1nnc([C@@H](C)NC(=O)NNc2cccc(C(=O)O)c2)o1	1600792317	NPBILFXULCYBMS-SSDOTTSWSA-N	305.294	1.464	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1cc(C(=O)O)ccc1F	1601556142	ZEHFXWOYCAKKCR-UHFFFAOYSA-N	317.276	1.990	50	20	DDGD	
COc1ccccc1CC(=O)NN=C1CCC[C@H](C(=O)O)C1	1607340151	HBSVECAHTUZTJW-LBPRGKRZSA-N	304.346	1.985	50	20	DDGD	
C#C[C@H](NC(=O)NNc1cccc(C(=O)O)c1)[C@@H]1CCCO1	1602673722	JMBXTJKYFWCONH-STQMWFEESA-N	303.318	1.192	50	20	DDGD	
O=C(O)C(=O)NN=C1CCc2ccc(OC(F)(F)F)cc21	1601638338	TWHOHGPFMCHEEJ-UHFFFAOYSA-N	302.208	1.436	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNCC(F)(F)C(F)(F)F)[nH]1	1608875252	ZORDFHIYOKQHMU-UHFFFAOYSA-N	301.171	1.145	50	20	DDGD	
O=C(C[C@@H]1C[C@H]2CC[C@H]1O2)NNc1ccc(F)c(C(=O)O)c1	1601250247	NSYWFTTUKLXJSJ-IYYTYJHQSA-N	308.309	1.925	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@@H]1C(=O)NN=Cc1ccoc1	1549308074	BXSXYZRKQFAXLV-STQMWFEESA-N	302.334	1.631	50	20	DDGD	
C[C@H](O)C(=O)N1CCC2(CCCN(C(=O)[C@@H](F)Cl)C2)CC1	1810911905	BKUSGAVGTAZSRW-WDEREUQCSA-N	320.792	1.133	50	20	DDGD	
O=C(CNc1ccccc1)N/N=C1/C(=O)Nc2cc(F)ccc21	7054751	WXJSMMCMICXZAP-UHFFFAOYSA-N	312.304	1.710	50	20	DDGD	
CCC(CC)(C(=O)NNC(=O)[C@@H]1CCN1)c1ccc(Cl)cc1	1577043781	KPGLLHFYCASKNK-ZDUSSCGKSA-N	323.824	1.907	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](F)[C@H]1CCNC1	1580736903	BTFUXZUQANRVCA-CPCISQLKSA-N	316.720	1.639	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)[C@H]2CC2(F)F)C1	1843852149	GAKJBJQOQKNCAR-SFYZADRCSA-N	310.703	1.379	50	20	DDGD	
CC1(C(=O)N2CC3(CCCN3C(=O)CO[Si](C)(C)C)C2)CC1	1844377750	NPXMPAODSDOTEV-UHFFFAOYSA-N	324.497	1.841	50	20	DDGD	
NC1(C(=O)NNc2ccc(F)c(F)c2)Cc2ccccc2C1	1580139422	SVFIHVQPDIDACK-UHFFFAOYSA-N	303.312	1.904	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H]2CCC2(C)C)o1	1589773785	MVABYUOXGRZYDU-MRVPVSSYSA-N	319.369	1.857	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](CC)NC)C2	1845164749	ZGFMNTLGFCMFQV-VXGBXAGGSA-N	315.845	1.205	50	20	DDGD	
CC1=C(C(=O)NNc2ccc(F)c(C(=O)O)c2)SCCO1	1594093687	KKJIFLBHYRGHAA-UHFFFAOYSA-N	312.322	1.962	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)CCCCC(=O)O)c1	1593703888	LBHJDMCKUXYAPC-UHFFFAOYSA-N	322.365	1.868	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1cc(O)nc(C2CC2)c1	1594781249	JUNRJCKZXSARSZ-UHFFFAOYSA-N	314.301	1.515	50	20	DDGD	
C[C@H]1CC[C@H](NC(=O)NNc2ccc(F)c(C(=O)O)c2)CN1	1594315384	WUHYXAGPENAOQJ-WPRPVWTQSA-N	310.329	1.291	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)cnc1C(=O)NNc1ccccc1F	1591875581	GTDMAKDWMGBDFF-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
COc1ccncc1CNC(=O)NNc1cccc(C(=O)O)c1	1599721762	AWEQBQAJGZOZGZ-UHFFFAOYSA-N	316.317	1.615	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2cc(F)cc(F)c2F)O[C@H]1C(=O)O	1599876218	WRKMHPCHMYREPD-UZNWJXFASA-N	318.251	1.425	50	20	DDGD	
O=C(O)CC1(C(=O)NNc2ccc([N+](=O)[O-])cc2)CCOCC1	1594976199	FBBKRJGABQUCSV-UHFFFAOYSA-N	323.305	1.309	50	20	DDGD	
Cc1csc(=O)n1CCC(=O)NNC(=O)c1ccccc1F	14800871	NQSOJISVVCJNSK-UHFFFAOYSA-N	323.349	1.209	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1	15272248	PCTDQEMPIXMDNL-UHFFFAOYSA-N	310.269	1.541	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccc(F)cc1[N+](=O)[O-]	150733254	DCEYXSMNGRIEBJ-UHFFFAOYSA-N	318.264	1.133	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(C)ccc1-n1cc(C)cn1	158538694	INRIIYUYIFLAPO-UHFFFAOYSA-N	303.322	1.882	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)c1cc(Cl)ccc1O	153331750	VWEGJRJIQZMHKB-SNVBAGLBSA-N	302.783	1.948	50	20	DDGD	
Cc1n[nH]cc1CNS(=O)(=O)c1ccc(CCCl)cc1	38012347	AZOBDBLBOMLOBE-UHFFFAOYSA-N	313.810	1.978	50	20	DDGD	
O=C(NCCN1CCCS1(=O)=O)c1cccc(CCl)c1	405923345	DAZMJASZLVETJW-UHFFFAOYSA-N	316.810	1.191	50	20	DDGD	
C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NNC(=O)OC(C)(C)C	495609450	BHGVFDUOMXJRQG-VIFPVBQESA-N	317.386	1.703	50	20	DDGD	
O=C(COC(=O)c1ccc[nH]1)NNC(=O)c1ccc(Cl)cc1	7449069	VZKJQPHXKVXQCN-UHFFFAOYSA-N	321.720	1.286	50	20	DDGD	
Cc1c([N+](=O)[O-])cc(C(=O)NNC(=O)CC(C)C)cc1[N+](=O)[O-]	10160543	WUPJUGKVCXQHBJ-UHFFFAOYSA-N	324.293	1.619	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1Cc1ccccc1)c1cccnc1	50025273	XDQJUEQBVMMLPW-MRXNPFEDSA-N	324.384	1.507	50	20	DDGD	
CC[C@H](C)NC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	113393507	LEZYRQCGLZZYSM-NSHDSACASA-N	301.350	1.615	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cc(-c2ccccc2F)on1	63269545	RLKUFQLDOKGUCS-UHFFFAOYSA-N	306.297	1.833	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2c(O)cccc2F)cc1	119025692	ZVOKMFIPIILCFG-UHFFFAOYSA-N	318.304	1.680	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C\c1csc(N(C(C)=O)C2CC2)n1	114991119	PMGNVNBLHFRNFP-XFFZJAGNSA-N	316.386	1.868	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H]2C[C@H]2C2CC2)c1	177610076	KULDXEKIMVPICK-GJZGRUSLSA-N	302.374	1.876	50	20	DDGD	
CCN(CC)[C@H](CNC(=O)NNc1ncccn1)c1ccco1	65482275	AZRGMBIZIUOPAS-GFCCVEGCSA-N	318.381	1.779	50	20	DDGD	
CC[C@H]1CCCN(CC(=O)NNC(=O)c2ccccc2)CC1	117345949	LSNAKZUVFUNQDI-AWEZNQCLSA-N	303.406	1.960	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)C1[C@H]2CCC[C@@H]12	177594195	OPUCLSRXMVDYGS-HBBFGDNQSA-N	318.373	1.658	50	20	DDGD	
CC(C)Nc1ncccc1C(=O)NNc1ncnc2nc[nH]c12	173945873	BXCMBNZIWDTTJY-UHFFFAOYSA-N	312.337	1.325	50	20	DDGD	
CCCCCCC(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1	111545391	ZQDYTZZSDFYEMJ-KBPBESRZSA-N	313.442	1.604	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc[nH]2)C12CCCC2	173514312	OOEZIZPBAZXNGL-QWHCGFSZSA-N	320.393	1.697	50	20	DDGD	
COc1cc(CCNC(=O)NNc2cccnn2)ccc1C	172607490	SBGOTCFBUKMKTD-UHFFFAOYSA-N	301.350	1.662	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)CCc2ccccc2O)s1	171564761	FKYQGMNONPKXDI-UHFFFAOYSA-N	305.359	1.551	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N1CC[C@@H](C)[C@@H]1C	176993451	WOZTUXQCKIYXDV-PWSUYJOCSA-N	315.377	1.727	50	20	DDGD	
C[C@H](OCC1CC1)C(=O)NNC(=O)NCCc1cccs1	65198033	SRDYJPWEOMYKEA-JTQLQIEISA-N	311.407	1.436	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	122505167	QFAROCDIGCGEHE-STQMWFEESA-N	306.362	1.397	50	20	DDGD	
COc1ccc(C(=O)CCC(=O)NNC(=O)c2ccc[nH]2)cc1	128473747	AFCVHBGVFRUAAA-UHFFFAOYSA-N	315.329	1.447	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccc(F)cc1C(F)(F)F	120050713	OAHHOCIJSRLQEE-UHFFFAOYSA-N	307.247	1.167	50	20	DDGD	
Cc1ccc(Cl)c(NC(=O)C(=O)NNc2ccc(C)nn2)c1	123680270	ODGILQXUVVFNGK-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
CN(C)CC1(CNC(=O)NNC(=O)CC(C)(C)C)CCCC1	185170408	MFSHZSWMXYKVRO-UHFFFAOYSA-N	312.458	1.875	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NNC(=O)Cc1cc[nH]n1	186290812	ILMLPEUGRZNDMF-DGCLKSJQSA-N	308.382	1.085	50	20	DDGD	
C[C@@H](C[S@@](C)=O)NC(=O)NNc1ccc(OC(F)F)cc1	182603976	IRPAXKMERHHVKC-HXNGOWOSSA-N	321.349	1.681	50	20	DDGD	
CCN(CC)CCOc1ccccc1NC(=O)NNC(C)=O	181955901	SQLOHJWAHLSAMX-UHFFFAOYSA-N	308.382	1.580	50	20	DDGD	
COc1nccnc1NNC(=O)COc1ccc(Cl)c(C)c1	132010764	DEZMIKYLLYISQR-UHFFFAOYSA-N	322.752	1.969	50	20	DDGD	
CO[C@]1(C)C[C@H](NC(=O)NNC(=O)Cc2cccnc2)C1(C)C	80604682	DANWHWDQINXXBD-BLLLJJGKSA-N	320.393	1.158	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2ncccn2)nn1-c1ccccc1	43731296	CAMLMSGCJONOMO-UHFFFAOYSA-N	322.328	1.088	50	20	DDGD	
O=C(NCCSC(F)(F)F)NNC(=O)c1ccccc1	48852729	XWDJZSNMDXIVCZ-UHFFFAOYSA-N	307.297	1.884	50	20	DDGD	
CN(NC(=O)CN1C(=O)COc2ccccc21)c1ccccc1	198377765	JHRZTOZRMYSYEP-UHFFFAOYSA-N	311.341	1.580	50	20	DDGD	
O=C(NNC(=O)c1cccc2ncccc12)c1c[nH]nc1C1CC1	190319532	WGTRCLSTBHOVJO-UHFFFAOYSA-N	321.340	1.910	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1ccnc(-n2cncn2)c1	195206310	DBCVFVFRCTWJPG-UHFFFAOYSA-N	314.349	1.004	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)c1ccccn1	45560475	UYDQBYNDYMRDMK-NSHDSACASA-N	316.336	1.855	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(-c2nc(C)no2)cc1	44025378	KNYASQRRGKNCHW-UHFFFAOYSA-N	317.374	1.340	50	20	DDGD	
CCCCNC(=O)NNC(=O)CSCc1csc(C)n1	138610973	BMFSBIPVTIOKQO-UHFFFAOYSA-N	316.452	1.815	50	20	DDGD	
O=C(CCc1nc(-c2ccccc2)no1)NNC(=O)C1CC1	198244637	HXQPYVUFQIZQPG-UHFFFAOYSA-N	300.318	1.227	50	20	DDGD	
O=C(CCCc1nc2ccccc2[nH]1)NNC(=O)c1ccc[nH]1	192845816	HNCNXXSAEZDHNC-UHFFFAOYSA-N	311.345	1.675	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(C)nn1-c1ccccn1	145999306	HKBROBKEMVSHGM-UHFFFAOYSA-N	304.310	1.358	50	20	DDGD	
CC(C)c1nnc(CCC(=O)NNC(=O)c2ccccc2F)o1	266942718	RGYCYVZQGLIVKY-UHFFFAOYSA-N	320.324	1.726	50	20	DDGD	
O=C(NCc1ccc2c(c1)OCCCO2)NNC(=O)C1CCC1	264742960	PMOCBBFUQNVKJR-UHFFFAOYSA-N	319.361	1.478	50	20	DDGD	
Cc1nc2n(n1)CCN(C(=O)c1c(C)nn(CCCl)c1C)C2	267770911	KROKYUZAGNFBNC-UHFFFAOYSA-N	322.800	1.295	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CCCc2nc(C)no2)n1	267172437	MFZQWNOVJIJRKT-UHFFFAOYSA-N	310.745	1.596	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCc2csc(C)n2)n1	266960328	MGKIDUBOLWGUIU-UHFFFAOYSA-N	322.394	1.427	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@](C)(O)c1ccco1	266620496	QWEWUQWSWQDTIU-INIZCTEOSA-N	317.345	1.440	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@@]2(C)CCCS2)n1	268312691	HCVVBXKSHAEKPT-CYBMUJFWSA-N	311.411	1.705	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@H](C[C@H](C)O)c1ccccc1	268380520	WXMVMPRQWSMDLM-DZGCQCFKSA-N	321.421	1.918	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNc2nccc(N(CC)CC)n2)O1	268638782	QQHPLCMSPJJUDF-NWDGAFQWSA-N	307.398	1.724	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CC(C)(F)F	277989954	ZHTXAUUPNHJRFC-MRVPVSSYSA-N	304.268	1.786	50	20	DDGD	
CSC1(C(=O)NNc2nnc(-c3ccccn3)s2)CC1	364974911	KQCSHKNRRFKJPS-UHFFFAOYSA-N	307.404	1.939	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-]	274375004	FGAYJURYVAIFNZ-UHFFFAOYSA-N	300.702	1.554	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc2nnc(C(C)(C)C)n2c1	274549504	MMTSRCDGOIABOT-UHFFFAOYSA-N	318.381	1.333	50	20	DDGD	
NC(=O)NC1(C(=O)NNc2ccc(OC(F)(F)F)cc2)CC1	271069090	NAMUHUIHALSMQV-UHFFFAOYSA-N	318.255	1.229	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)CC2CCOCC2)nc1C	272234863	WISBJZUZLLSIAJ-UHFFFAOYSA-N	322.365	1.222	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@H]2CCCCN2C2CC2)n1	277425478	HUDHHMNIUZLQIH-GFCCVEGCSA-N	320.397	1.128	50	20	DDGD	
O=C(CC[C@H]1CCOC1)NNC(=O)CSc1ccccc1O	270695995	KYRYPGPKNPAACN-NSHDSACASA-N	324.402	1.448	50	20	DDGD	
CC[C@H](C(=O)NNc1ccc(C(=O)OC)cn1)N(CC)CC	270344807	DKCXAEQXXICSLM-GFCCVEGCSA-N	308.382	1.432	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1ccc2ccccc2c1O	271295174	PXROCVOSMRUWAC-UHFFFAOYSA-N	315.329	1.232	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCCCS(C)(=O)=O	274533826	RJXDVXWLCRZAIG-UHFFFAOYSA-N	303.359	1.195	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1C(=O)NNc1nc(O)c2cnn(C)c2n1	280289392	XBXQEXLLTOYJBO-NXEZZACHSA-N	318.381	1.728	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cccc(OC)c1OC(F)F	286350145	MKZARDAUANQBSQ-UHFFFAOYSA-N	304.249	1.640	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Nc1ccsc1	284672902	NNHBAMZQPZPRMZ-UHFFFAOYSA-N	301.368	1.690	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)COc2ccccc2F)O1	282568546	FEQCHEXIEVBIHB-RULNRJAQSA-N	310.325	1.165	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)Nc1ccccc1)N1CCCC1=O	283783939	RUQUTFUEOIBOHN-CQSZACIVSA-N	318.377	1.486	50	20	DDGD	
COCC1(CNC(=O)NNC(=O)Cc2ccc(F)cc2)CCC1	283400693	FMQHMEHZPQBNBQ-UHFFFAOYSA-N	323.368	1.515	50	20	DDGD	
O=C(NNc1ccncn1)[C@@H]1CCCN(Cc2ccccc2)C1	295614699	ZBZRLLPFOWDMDR-OAHLLOKOSA-N	311.389	1.832	50	20	DDGD	
O=C(Cc1ccc(F)cn1)NNc1nc(-c2ccccc2)no1	806775329	WVEFMLUJLPWATJ-UHFFFAOYSA-N	313.292	1.957	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)CCc2c[nH]cn2)cc1C	291180665	KPMWZEPXUAAFME-UHFFFAOYSA-N	316.361	1.971	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@H](CC)OC)cc1OC	299420832	UJZURQPYVOJUIB-NSHDSACASA-N	310.350	1.280	50	20	DDGD	
CS[C@H](C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)c1ccccc1	293770685	AQMXCGPFKYKVMA-DRZSPHRISA-N	308.403	1.806	50	20	DDGD	
O=C(NNC(=O)c1ccnc(C(F)(F)F)c1)NC1CCCC1	808387922	YARNBVXLLUYKHU-UHFFFAOYSA-N	316.283	1.987	50	20	DDGD	
O=C(NNc1ncncc1F)[C@@H]1CCCc2c(O)cccc21	293825452	AJQCDDHGVNGDKA-LLVKDONJSA-N	302.309	1.885	50	20	DDGD	
O=C(NNc1cccc(F)n1)Nc1cnn(CC(F)F)c1	806298078	XWVVQZVTKHHBHB-UHFFFAOYSA-N	300.244	1.831	50	20	DDGD	
CN(C)CCCCC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802106205	WHWLSEZCCZSBRV-UHFFFAOYSA-N	322.365	1.300	50	20	DDGD	
CO[C@@H](Cc1ccccc1)C(=O)NNc1cc(C)nc(C)n1	295793774	KBPZUYPMEIGNFT-AWEZNQCLSA-N	300.362	1.794	50	20	DDGD	
C#CCSCCNC(=O)NNc1cccc(NC(C)=O)c1	297025262	ALMFFTLXRBVSMR-UHFFFAOYSA-N	306.391	1.638	50	20	DDGD	
COCCOc1cccc(C(=O)NNC(=O)[C@@H]2CCCCO2)c1	295642573	UDZQEZDILGPBQQ-AWEZNQCLSA-N	322.361	1.042	50	20	DDGD	
O=C(NNC(=O)c1conc1C1CC1)c1cc(Cl)ccc1O	809993144	YSPCMJMJJZKOFI-UHFFFAOYSA-N	321.720	1.986	50	20	DDGD	
Cn1nnc2c(C(=O)NNc3ccc([N+](=O)[O-])cc3)ccnc21	801176829	UQUYWKILRQDJTA-UHFFFAOYSA-N	313.277	1.028	50	20	DDGD	
C[C@@H](Sc1ccccn1)C(=O)NNC(=O)N=c1cc[nH]cc1	802034168	CJCLJINJHJMFQU-SNVBAGLBSA-N	317.374	1.232	50	20	DDGD	
Cc1ccc(CCC(=O)NNC(=O)[C@@H]2CCCCO2)c(C)c1	295672442	XDRDANPXQQUHRT-HNNXBMFYSA-N	304.390	1.953	50	20	DDGD	
Cc1cc(=O)cc(C)n1CCCC(=O)NNc1ccncc1	290402146	LPYBSKVAMBBMAN-UHFFFAOYSA-N	300.362	1.784	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNc1cc(Cl)nc(C)n1	809694287	NBUHEQLRNYRBOG-ZETCQYMHSA-N	300.746	1.471	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)NCCc2cccs2)O1	800328149	HWBOIPBHXDBEMG-CKYFFXLPSA-N	311.407	1.435	50	20	DDGD	
CCC[C@H](C)C(=O)NCCNC(=O)NNc1ccc(OC)cn1	292884682	UUYJTJKRFVFKIL-NSHDSACASA-N	323.397	1.269	50	20	DDGD	
CC(C)(C)OC(=O)CCCNC(=O)NNc1ncccc1F	805168360	YTAAGPCCGBGBKU-UHFFFAOYSA-N	312.345	1.969	50	20	DDGD	
COCC(C)(C)CNC(=O)NNc1ncnc2ccsc12	291912466	QUOPRMQWLMJILF-UHFFFAOYSA-N	309.395	1.990	50	20	DDGD	
COc1ncc(C)cc1NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	292688252	KEGULEOFDINYBX-ONGXEEELSA-N	308.338	1.119	50	20	DDGD	
Cn1ncc(C=NNC(=O)Cc2ccc3ccccc3c2)c1N	814807899	PTCBEGLCWXTYKA-UHFFFAOYSA-N	307.357	1.848	50	20	DDGD	
Cn1c(NNC(=O)c2cncc(Cl)n2)nc2ccccc21	816578334	WMFPPDFPBMKOTK-UHFFFAOYSA-N	302.725	1.774	50	20	DDGD	
CCOCC(=O)NN=Cc1cc(Br)cc(C)c1O	814843555	YYHKJHHCDHOYCM-UHFFFAOYSA-N	315.167	1.950	50	20	DDGD	
CCOc1ccc(O)c(C=NNC(=O)N=c2cc[nH]cc2)c1	815001531	NSAWUMRXRZQTHX-UHFFFAOYSA-N	300.318	1.763	50	20	DDGD	
CSCC[C@H](O)C(=O)NNc1cc(Cl)nc(Cl)c1	819747653	VQBWHCKJOUKCDE-ZETCQYMHSA-N	310.206	1.946	50	20	DDGD	
COCCC(COC)=NNC(=O)[C@H](C)CN1CCCCCC1	812225043	PNMNTDQYHSDLES-CQSZACIVSA-N	313.442	1.654	50	20	DDGD	
Cc1nn(C)c(N)c1C=NNC(=O)c1cccc2ncccc12	814841279	JUKMUQXOFNYOLF-UHFFFAOYSA-N	308.345	1.623	50	20	DDGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NNc1nc[nH]n1	816633818	NYXQSKAJYIYDGM-UHFFFAOYSA-N	315.312	1.503	50	20	DDGD	
Cn1cncc1CNC(=O)NNC(=O)c1cc2ccccc2o1	811889258	RVYVFYSCAWMOND-UHFFFAOYSA-N	313.317	1.311	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccc(OC[C@H]2CCCO2)cc1	816771525	QLKMPWNPCDFQGL-CYBMUJFWSA-N	317.349	1.130	50	20	DDGD	
COc1ccc(NCC(=O)NN=C(C)c2cc(CO)on2)cc1	812222054	JMSVACFFRNXROB-UHFFFAOYSA-N	318.333	1.128	50	20	DDGD	
Cn1c(=O)n(CC(=O)NCCCSC#N)c2ccccc21	816538630	ZBZSDWOUOGAUGD-UHFFFAOYSA-N	304.375	1.061	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC2(CCC2)[C@H]1[C@H]1CCCO1	810093942	KNMGKPBKQVCIBY-TZMCWYRMSA-N	323.437	1.213	50	20	DDGD	
O=Cc1ccc(OCC(=O)NNC(=O)NCc2ccco2)cc1	727374128	WQDOLUNRFALAEH-UHFFFAOYSA-N	317.301	1.002	50	20	DDGD	
CC1(C)CC(=NNC(=O)c2cnccn2)c2ccc(O)cc2O1	814794896	OQZFGANVQHQGHK-UHFFFAOYSA-N	312.329	1.877	50	20	DDGD	
O=C(CCc1nccs1)NNc1nc(-c2cccnc2)no1	728074675	HRRDCHJRGXEYGI-UHFFFAOYSA-N	316.346	1.664	50	20	DDGD	
Cc1cc(C#N)cnc1C(=O)NNC(=O)CCc1ccccc1	815187031	MBWUQCJFROZKGZ-UHFFFAOYSA-N	308.341	1.656	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1ccc(N2CCCC2=O)cc1	727648238	ZNHMWQJPSYTDSC-UHFFFAOYSA-N	302.378	1.215	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC[C@@H]1c1ccccc1	827314308	AGYVMNSXYHEGPI-IACUBPJLSA-N	303.362	1.599	50	20	DDGD	
CN(NC(=O)[C@@]1(F)CCN(C(=O)OC(C)(C)C)C1)C1CC1	497244278	OTWJZQIMJDYKRI-CQSZACIVSA-N	301.362	1.461	50	20	DDGD	
O=C(CCCc1nn[nH]n1)NNc1c(Cl)cccc1Cl	820969502	QCBMUUNKOKTYMG-UHFFFAOYSA-N	315.164	1.973	50	20	DDGD	
Cc1nnsc1CNC(=O)/C(C#N)=C/c1ccc(O)cc1	490945089	ZUGKASQBYISARS-IZZDOVSWSA-N	300.343	1.776	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc2scnc2c1	829557306	BLNFQCVAWIPQSM-UHFFFAOYSA-N	305.359	1.484	50	20	DDGD	
COc1cc(Cl)c(Cl)cc1C(=O)NN(C)[C@H](C)CO	823946212	FVYZRACTJUMJTA-SSDOTTSWSA-N	307.177	1.959	50	20	DDGD	
CC(=NNC(=O)CCNC(=O)OC(C)(C)C)c1ccncc1	494952686	MMYIIMZLHZJAQY-UHFFFAOYSA-N	306.366	1.837	50	20	DDGD	
CN(NC(=O)Nc1cccc(N2CCCS2(=O)=O)c1)C1CC1	824075862	GKWMNJHGUSJDIR-UHFFFAOYSA-N	324.406	1.357	50	20	DDGD	
CN1CCCC(=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1	826028767	HNDMZRLNBNOYTM-UHFFFAOYSA-N	313.365	1.068	50	20	DDGD	
O=C(Cc1ccsc1)NNc1ccc(-c2nn[nH]n2)cc1	826423714	CFWIUVUHWYSWIP-UHFFFAOYSA-N	300.347	1.614	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C=NNC(=O)c2cccn2C)c1C	725848019	SBOGITDBOIGDBM-UHFFFAOYSA-N	316.361	1.911	50	20	DDGD	
C[C@H](CNC(=O)/C(C#N)=C\c1cnn(C)c1)CC1(C)OCCO1	491009086	JKGCAVIRFPPDQE-JVXNRYDGSA-N	318.377	1.232	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)ccc1C(=O)NNC(=O)CC(C)(C)C	826249493	FZAYYTNOEFVHSW-UHFFFAOYSA-N	316.365	1.372	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNc1cccc(-c2nn[nH]n2)c1	823899255	RTUJBMFHUIIKJJ-JTQLQIEISA-N	302.338	1.291	50	20	DDGD	
CCN(CCO)NC(=O)[C@H](C)Oc1ccc(Cl)cc1C	823833564	DVALGEWRRUPNBN-NSHDSACASA-N	300.786	1.761	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(N(C)C)nc2ccccc12	823874217	OEWFCOYVUNDINE-UHFFFAOYSA-N	302.378	1.260	50	20	DDGD	
COC[C@@H](OC)C(=O)NNC(=O)c1cccc2ccccc12	828577957	FQLRKNXFAFDUBU-CQSZACIVSA-N	302.330	1.262	50	20	DDGD	
OCCCSc1ccc(NCc2ccc(B(O)O)o2)cc1	585013246	PODWVZFOESMELF-UHFFFAOYSA-N	307.180	1.046	50	20	DDGD	
COCCN(C)NC(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1	495680646	WAFBJXYUWLNQEJ-OAHLLOKOSA-N	315.414	1.243	50	20	DDGD	
Cc1ccccc1[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(C)C	584944574	LNSZLTZTHSYPMY-KRWDZBQOSA-N	311.190	1.802	50	20	DDGD	
CC(=O)NNC(=O)CN(C)c1ccc(C(F)(F)F)cc1C=O	822164239	SOZGHPQSJJZNOR-UHFFFAOYSA-N	317.267	1.121	50	20	DDGD	
CCC(=O)C1(C(=O)NNc2ccc(C(F)(F)F)nn2)CC1	827317569	WGJJOJMZEJIDHN-UHFFFAOYSA-N	302.256	1.698	50	20	DDGD	
CCN(CCO)NC(=O)c1ccnc(Oc2ccccc2)c1	823856328	PQTVCWCPMZYDSK-UHFFFAOYSA-N	301.346	1.833	50	20	DDGD	
CSSCCNC(=O)N[C@@H]1CCN(C(C)(C)C)C1=O	826739833	VVCPBKXKSIMEPY-SECBINFHSA-N	305.469	1.696	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCc1cn(C)c2ccccc12	822382324	BNXLSQFOUDGZJV-UHFFFAOYSA-N	318.377	1.088	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(OC)c(OC)cc1F	494472984	UBYLTJWKCDVMQJ-UHFFFAOYSA-N	301.274	1.626	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	823873631	FKYQVHQGMICQCV-NXEZZACHSA-N	302.296	1.553	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cccc(NC(=O)O)c1)C1CC1	825464010	BILKMMZPYYUKLX-MRVPVSSYSA-N	322.390	1.684	50	20	DDGD	
Cc1ccccc1C1=NO[C@H](C(=O)NNC(=O)C(C)(C)C)C1	906215013	VIIDROCSEUSKNE-ZDUSSCGKSA-N	303.362	1.682	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cccc(F)c1Br	823921937	FPJCKMYGBPZVKD-SSDOTTSWSA-N	305.147	1.546	50	20	DDGD	
CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NN(C)[C@@H](C)CO	823977381	VKFCYFVOCGZSDD-NWDGAFQWSA-N	317.430	1.270	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C	497080070	SPOUQHDHCYHXKG-SECBINFHSA-N	303.359	1.313	50	20	DDGD	
CC(C)COC[C@H](NCc1cccc(B(O)O)c1)c1ccco1	585020584	BSJYVCHZSMYILM-INIZCTEOSA-N	317.194	1.463	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CC[C@H](c3ccccc3F)C2)cc1	585039109	NRCZZERQBUAYNU-HOCLYGCPSA-N	313.181	1.931	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cc2c(cn1)CCCC2	831827496	NKMXOVRUJBCUDA-GWCFXTLKSA-N	318.377	1.538	50	20	DDGD	
Cn1nncc1/C=C(\C#N)C(=O)Nc1ccc2c(c1)OCCO2	490724689	APURXOSBTCHOEP-UXBLZVDNSA-N	311.301	1.132	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)ccc1F	831705955	KUVOIUNVFAEHES-PSASIEDQSA-N	311.313	1.412	50	20	DDGD	
C/C(C=NNC(=O)[C@@H]1CCS(=O)(=O)C1)=C/c1ccccc1	730575956	JUVMRRBLMSRPKI-YRPAQVJISA-N	306.387	1.627	50	20	DDGD	
Cc1nn(C(C)(C)C)c(C)c1C(=O)NNC(=O)[C@H]1CCCCO1	833255916	JIDABWGCRINRDN-GFCCVEGCSA-N	322.409	1.585	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1sc(C)cc1C	901964869	SHZPMENZBMMBNW-UHFFFAOYSA-N	300.405	1.478	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1c[nH]c2ccccc12	905304010	YOWQQHWTFXJSOK-WFASDCNBSA-N	313.357	1.910	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])[C@H]1CCC[C@@H](C(=O)O)C1	833183902	LXFDASIIZQFHSO-DTWKUNHWSA-N	308.294	1.324	50	20	DDGD	
NNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1	731450331	DRFRCEICAHIISP-UHFFFAOYSA-N	323.349	1.159	50	20	DDGD	
Cc1cccc(NNC(=O)c2sccc2-c2nn[nH]n2)c1	737400296	SSDQYIPUDUCXCW-UHFFFAOYSA-N	300.347	1.994	50	20	DDGD	
C=C(CI)n1cc(CCN(C)C)nn1	900641118	KOQZSPHAWIUGIV-UHFFFAOYSA-N	306.151	1.288	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC[C@H]1C1OCCO1	907671264	VAUGWBXTNCFNIQ-JTQLQIEISA-N	311.831	1.419	50	20	DDGD	
Cc1ncc2c(n1)CCC[C@H]2NC(=O)NNC(=O)C(C)(C)C	734864259	PLULEPJHBNPZNE-GFCCVEGCSA-N	305.382	1.539	50	20	DDGD	
CO[C@H]1CC(=NNC(=O)[C@H]2COc3ccccc3O2)C12CCC2	834918344	UGEVQAMMIZMWAJ-HIFRSBDPSA-N	316.357	1.888	50	20	DDGD	
O=C(O)NNS(=O)(=O)/C=C/c1ccc(Br)cc1	738662337	SPEHXRYPNVTPHO-AATRIKPKSA-N	321.152	1.522	50	20	DDGD	
C[C@@H]1C[C@H](c2ccsc2)CN1C(=O)c1cccc(B(O)O)c1	584949021	FTTYWQJPDMJADD-RISCZKNCSA-N	315.203	1.446	50	20	DDGD	
CN1CC[C@H](C(=O)NNC(=O)[C@@H]2CCCCO2)c2ccccc21	833246216	FZHVVINFTILANJ-ZFWWWQNUSA-N	317.389	1.327	50	20	DDGD	
C[C@H](N)C[C@H](C)NC(=O)NNc1cccc(Br)n1	831223658	FOPOWHLSMMMWJP-YUMQZZPRSA-N	316.203	1.596	50	20	DDGD	
CCN1C(=O)CCc2cc(NCc3ccc(B(O)O)cc3)ccc21	585034883	MWMYATZCOVVPBZ-UHFFFAOYSA-N	324.189	1.278	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@@H](CC)OCC	919971962	SULZSNRGYVRSHU-GFCCVEGCSA-N	324.377	1.427	50	20	DDGD	
CSCC1CCC(=NNC(=O)Cc2cc(O)nc(O)n2)CC1	834960100	FBMZNEOSOVZALK-UHFFFAOYSA-N	324.406	1.456	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@H]1CCCCN1C(=O)c1ccccc1	910172956	HOYXLQLIIAAQHR-UKRRQHHQSA-N	319.405	1.025	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)COC(=O)[C@@H]2C[C@@H]2C)cc1C	736744183	XGCDXSZQFYHTSV-WCBMZHEXSA-N	324.402	1.579	50	20	DDGD	
CC[C@@H](CC(F)(F)F)NC(=O)NNC(=O)[C@H]1CCCCO1	836401038	YAAMLQNLXMVRAE-DTWKUNHWSA-N	311.304	1.617	50	20	DDGD	
Cc1ccc(CN2CC[C@H](NS(=O)(=O)CCl)C2=O)cc1	831254583	AGLLTOOPWIVOQX-LBPRGKRZSA-N	316.810	1.212	50	20	DDGD	
CC(C)N(CCNC(=O)NNC(=O)[C@@H]1CCCCO1)C(C)C	837335691	YSMVONJLOMRFLQ-ZDUSSCGKSA-N	314.430	1.005	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(C)cc(C(=O)OC(C)(C)C)c1	837360854	HTTLFXBVHIUMTC-UHFFFAOYSA-N	307.350	1.524	50	20	DDGD	
COc1ccc(OC)c(CN(CCO)S(=O)(=O)CCl)c1	830633618	TYXWSTDZCKJBEQ-UHFFFAOYSA-N	323.798	1.024	50	20	DDGD	
CCCC(O)(CCC)CC(=O)NNc1ccnc(N(C)C)n1	749240698	JXFWTFWMVHTBHE-UHFFFAOYSA-N	309.414	1.707	50	20	DDGD	
COc1cc(C=NNC(=O)N(C)C)cc(Br)c1O	745605686	WXUXOTWLHLFTSQ-UHFFFAOYSA-N	316.155	1.768	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)[C@H]1CCCS(=O)(=O)C1	845924336	XZDJTBMRGGZLFD-QMMMGPOBSA-N	303.771	1.003	50	20	DDGD	
O=C(COC(=O)C1CCSCC1)NNC(=O)c1ccccc1	740960530	AZKWTUBSNXLXNE-UHFFFAOYSA-N	322.386	1.134	50	20	DDGD	
COCCn1cc(C=NNC(=O)Nc2ccccc2C)cn1	743438812	WYNKILLMARSYRZ-UHFFFAOYSA-N	301.350	1.994	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNC(=O)Nc2ccccc2)CC1=O	840445137	MHFJPTVNDAHAEL-NSHDSACASA-N	304.350	1.098	50	20	DDGD	
CCOC(=O)c1ccc(C=NNC(=O)Cc2cccnc2)o1	748251709	NKYJAISKTIRXFP-UHFFFAOYSA-N	301.302	1.544	50	20	DDGD	
C[C@H](CCCN)NC(=O)NNC(=O)C(C)(C)c1ccccc1	841999555	LPSBQOBQUHWKCU-GFCCVEGCSA-N	306.410	1.422	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)[C@@H]1CCCS1(=O)=O	848197395	QSBNNMCZJCXGJA-JTQLQIEISA-N	302.783	1.669	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNc1ccc(C#N)c(Cl)c1	845942288	QNSUQHCIDNNXTJ-UHFFFAOYSA-N	308.769	1.817	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cccc(C#CCO)c1	913163412	MYBVQVIHKRSUPW-UHFFFAOYSA-N	322.233	1.462	50	20	DDGD	
CC1=C(C)C[C@@H](C(=O)NNC(=O)C(=O)Nc2ccccn2)CC1	843823745	JGHHDGQEMCTDKS-LBPRGKRZSA-N	316.361	1.304	50	20	DDGD	
CCC(C)(C)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	744929566	PMQGCLPUGGHALC-UHFFFAOYSA-N	306.362	1.735	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C1CO[C@H](C)C1	842536408	RQHPPCUMJGPGDS-PWSUYJOCSA-N	309.366	1.184	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NC[C@@H](C)C(C)(C)C	748633362	LYXWSDPXCSSZJD-GHMZBOCLSA-N	303.403	1.051	50	20	DDGD	
CO[C@@H](CC(=O)NNC(=O)CCc1ccccc1)C(F)(F)F	844361637	NXBXMYLRZCNSEC-NSHDSACASA-N	318.295	1.734	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(Cl)cc(Cl)n1	843663051	VBZBIQXIXWCYIQ-HTRCEHHLSA-N	318.160	1.574	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1ccc(Cl)cc1)c1cnn(C)c1	749874636	FGMDHVPIVLOPRQ-SNVBAGLBSA-N	320.780	1.567	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNC(=O)c1c[nH]c2ccccc12	914878485	CTQRUXNXTMXIRR-UHFFFAOYSA-N	311.345	1.512	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ncccc2C(F)(F)F)o1	747590760	NZTZUJUUMNICSE-UHFFFAOYSA-N	314.223	1.549	50	20	DDGD	
Cn1cc(/C=C/C(=O)NNC(=O)c2ccc(Cl)cc2F)cn1	747329785	QZKFWCZJXUIOLQ-GORDUTHDSA-N	322.727	1.687	50	20	DDGD	
O=C(NNC(=O)Nc1ccccn1)Nc1ccc2c(c1)OCO2	743811454	VFAVJYWCOUVCNJ-UHFFFAOYSA-N	315.289	1.669	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)C[C@@H]1CCCC[C@@H]1C	740852037	IBKXYWQWPRBFDH-RYUDHWBXSA-N	311.426	1.655	50	20	DDGD	
COc1ccc(NC(=O)NNC(=S)NC[C@H]2CCOC2)cc1	749716632	BNNRCCPHYNUOBJ-SNVBAGLBSA-N	324.406	1.232	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1c(Cl)nc2ccccn12	918367456	UGNOJSHIADYINI-UHFFFAOYSA-N	320.658	1.701	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCCn2cccc2)cc1	845026096	POSLQUJVHITVDD-UHFFFAOYSA-N	316.361	1.530	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NN(C)C[C@H](C)O)c1C	910172784	FPYPJXHFNGYHQD-WFSQQTBHSA-N	318.421	1.766	50	20	DDGD	
COC(=O)[C@@H](C)c1ccc(NC(=O)NNC(=O)C2CC2)cc1	841771228	NWMDQLBPTRLOED-VIFPVBQESA-N	305.334	1.526	50	20	DDGD	
C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)NNC(=O)Cc1ccncc1	747508361	GXBFXHHUNPDZBW-YJBOKZPZSA-N	324.384	1.685	50	20	DDGD	
Cc1ccccc1C(C)(C)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843648353	QBXLEWQGFFPSDZ-QWHCGFSZSA-N	304.390	1.845	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNc1ncc(Br)cn1	848321882	HNPGIIGWVHSPHH-OOZYFLPDSA-N	315.171	1.496	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cccc2c1OCC2	929426533	KYPLSJWFPLDTIO-UHFFFAOYSA-N	323.418	1.109	50	20	DDGD	
COC(=O)C12CC(C(=O)NNc3ccc([N+](=O)[O-])cc3)(C1)C2	843832993	ZNEOPUGECCWTSB-UHFFFAOYSA-N	305.290	1.381	50	20	DDGD	
Cc1[nH]c2ccccc2c1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843978216	WKHSXGCPRRNXPZ-MNOVXSKESA-N	301.346	1.662	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)/C=C\[C@H]2CCOC2)cc1	846377587	XGLBLHWHAVCQNC-IRBQFCFKSA-N	304.346	1.438	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCc2ccn(C(C)C)n2)c1	858240457	MBJNCRGFKJXRLC-UHFFFAOYSA-N	321.406	1.978	50	20	DDGD	
C[C@@]1(CNC(=O)c2cnc3cccnn23)C[C@@H]1Br	857733211	HUNRRZNGLAGENP-CABZTGNLSA-N	309.167	1.633	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)C3(N(C)C)CC3)cc2C1	854240113	GZYZPAXMXYYFAC-SNVBAGLBSA-N	321.446	1.728	50	20	DDGD	
C[C@H](CO)N(Cc1ccccc1)C(=O)/C(C#N)=C\c1cnn(C)c1	921481635	PIKDSJJSWWPOFE-XPGOGFAUSA-N	324.384	1.737	50	20	DDGD	
CNS(=O)(=O)[C@@H]1CCCN(/C(=C\C#N)c2ccccc2)C1	750801921	SHSZMHPABPZUHN-WJQTUHTMSA-N	305.403	1.565	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)nc1O	756752084	ZDTNPZUISOAWJN-IJLUTSLNSA-N	305.382	1.935	50	20	DDGD	
CSSCCNC(=O)c1sccc1S(N)(=O)=O	854393342	DWJWNZUBHTVBAF-UHFFFAOYSA-N	312.463	1.137	50	20	DDGD	
CCN1CCN(C(=O)c2c(C)nn(CCCl)c2C)C[C@@H]1C	754229136	MFEYOFSRSPCIHW-NSHDSACASA-N	312.845	1.905	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCCC2)OCC(F)(F)F	856020892	YKSNQEHCOADQIJ-UHFFFAOYSA-N	320.271	1.612	50	20	DDGD	
COc1ccccc1SCC(=O)NN=C(C)Cn1cncn1	853325274	FAQUDWWJSKBHHJ-UHFFFAOYSA-N	319.390	1.571	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNC(=O)NC1CCCCC1	920820462	CBGAVTQYJVELPT-LLVKDONJSA-N	301.387	1.091	50	20	DDGD	
C[C@@]1(CNC(=S)NC2CCOCC2)C[C@@H]1Br	857204402	RETXFFPRTGZOAU-ONGXEEELSA-N	307.257	1.803	50	20	DDGD	
COc1ncncc1NC(=O)NNC(=O)Cc1ccc(F)cc1	757690847	SAMSVJRLZJXRGI-UHFFFAOYSA-N	319.296	1.020	50	20	DDGD	
CNC(=S)N(C)NC(=O)Cc1ccc(OC(F)F)cc1	854927575	BWSMJQFBARLTBW-UHFFFAOYSA-N	303.334	1.298	50	20	DDGD	
Cc1cccc([C@@H]2C[C@H]2C(=O)NNC(=O)N2CCOCC2)c1	858907690	FBYNJWOLIMRRFZ-UONOGXRCSA-N	303.362	1.172	50	20	DDGD	
Cc1cc(NC(=O)CN(C)NC(=O)OCc2ccccc2)no1	859390121	VGYDHVYOPZPVRF-UHFFFAOYSA-N	318.333	1.695	50	20	DDGD	
CO[C@@H]1CCC[C@H](CC(=O)NNC(=O)c2cccc(F)n2)C1	856427483	YMZLJRADQQTSAH-WDEREUQCSA-N	309.341	1.577	50	20	DDGD	
C[C@@H]1CN(C(=O)NC[C@]2(C)C[C@@H]2Br)C[C@@]1(C)CO	856961340	YDUWPCJRDALJFC-URBCHYCLSA-N	319.243	1.820	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1SC	850409322	QVDPOLQYAILBKH-UHFFFAOYSA-N	315.782	1.558	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C2CC3(CC3)C2)c1	854201490	LTPNWLFDGNFHSO-UHFFFAOYSA-N	304.346	1.655	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2nc(C)no2)c1C	853648107	OKFINZGHCQMOJI-UHFFFAOYSA-N	319.321	1.299	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C[C@@H]1CCOc2ccccc21	752169586	WMNZQPHTBZASBT-OLZOCXBDSA-N	306.362	1.706	50	20	DDGD	
CC(C)[C@H](CO)CNC(=O)NC[C@@]1(C)C[C@@H]1Br	856959444	UMXWQOHGPZVXPC-JBLDHEPKSA-N	307.232	1.724	50	20	DDGD	
CC(C)C#CC(=O)NNc1ccccc1S(=O)(=O)N(C)C	854607584	VCXZJEGLWPISQQ-UHFFFAOYSA-N	309.391	1.039	50	20	DDGD	
CSc1ccc(NC(=O)NNC(=O)c2ccccn2)nc1	758000131	DSHMTTVPIGCTJO-UHFFFAOYSA-N	303.347	1.665	50	20	DDGD	
C[C@@H](c1ccccc1)[C@H]1CCCN1CC(=O)NNC(=O)C1CC1	932277642	WGUSESHMIXOJEB-XJKSGUPXSA-N	315.417	1.812	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H]2C[C@H](C)O[C@H](C)C2)c1	858338252	UMEJRRMBVLPBJU-JGPRNRPPSA-N	311.407	1.957	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(O)nc3c2CCCC3)nc1	935537608	XJCBYVQKJVYKMQ-UHFFFAOYSA-N	314.345	1.827	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H](C)n1ccc(C(F)(F)F)n1	865015294	XXQWJLFYCHUSCP-MRVPVSSYSA-N	321.303	1.593	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@H]2CCCCO2)cc(Cl)n1	934206858	GCJYCVSPHKTHTD-SNVBAGLBSA-N	312.757	1.765	50	20	DDGD	
COCCOc1ccccc1C(=O)NN=c1cc[nH]c(C)c1	862510804	UAURKMTUIQEJQT-UHFFFAOYSA-N	301.346	1.594	50	20	DDGD	
CCC(CC)[C@H](C)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	761516670	CODQLCGLIAHSSE-AAEUAGOBSA-N	304.456	1.551	50	20	DDGD	
COC(=O)c1cccc(CC(=O)NN[C@H](C)C(F)(F)F)c1	862316173	MGQKNKSIBSNMSG-MRVPVSSYSA-N	304.268	1.587	50	20	DDGD	
CC[C@](C)(CC(=O)OC)NS(=O)(=O)CC(C)(C)CCl	866914845	UPIZXYVHXDITGD-GFCCVEGCSA-N	313.847	1.903	50	20	DDGD	
CCCC1(C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1	761461351	MOFUZUVVCHIUQM-UHFFFAOYSA-N	304.346	1.571	50	20	DDGD	
Cc1cc(C)c2c(c1)C(=NNC(=O)[C@@H]1CCC(=O)N1)CCCO2	863147180	AHQWSUDDOLTEAY-AWEZNQCLSA-N	315.373	1.575	50	20	DDGD	
COc1cccc(NNC(=O)CCCOC2CCOCC2)n1	867286698	FKSRBZGNAQGRAJ-UHFFFAOYSA-N	309.366	1.509	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)N[C@@](C)(C1CC1)C(F)(F)F	933581001	XCQHEXZSQLFHMB-LBPRGKRZSA-N	318.299	1.700	50	20	DDGD	
Cc1cc(C)c(Br)c(C(=O)NNC(=O)N(C)C)c1	764024138	ISFAFPHHMVJDPG-UHFFFAOYSA-N	314.183	1.982	50	20	DDGD	
CC[C@@H]1C[C@@H](C)CCC1=NNC(=O)[C@H]1CCS(=O)(=O)C1	769570593	RFTHANTUKVEHBB-TUAOUCFPSA-N	300.424	1.740	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cnc(-c3ccccc3)[nH]2)n[nH]1	768276115	IVNHPXKVCYQMHV-UHFFFAOYSA-N	310.317	1.183	50	20	DDGD	
CC(C)c1ccc(C=NNC(=O)[C@H]2CCC(=O)N2)cc1[N+](=O)[O-]	863147112	YVQFLNAZSYRPIO-GFCCVEGCSA-N	318.333	1.447	50	20	DDGD	
CC(=O)N1c2ccccc2C[C@H]1C(=O)NN[C@@H](C)C(F)(F)F	862312803	UDWBYWVMZSDBLS-UFBFGSQYSA-N	315.295	1.536	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2nc3ccccc3[nH]2)c1[N+](=O)[O-]	768497398	ZDLBMZQTUUNNFY-UHFFFAOYSA-N	301.266	1.260	50	20	DDGD	
Cc1cnccc1C(=O)NNC(=O)c1cncn1-c1ccccc1	1117738491	JYCVQPUXURVIAL-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)OCC(=O)[C@H]2CCOC2)c1	762847137	WZPXQAQPGCACNJ-PZMUVPOTSA-N	315.325	1.751	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2cn[nH]c2)Cc2ccccc2O1	1118863980	JFDTXKXBSZMQBR-JTQLQIEISA-N	315.333	1.047	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=C2CCC(O)CC2)C[C@@H](C)O1	761777301	IWHCEVJHIWORDA-KIFYNCCSSA-N	311.426	1.139	50	20	DDGD	
Cn1ccc(NNC(=O)C[C@@H]2CSc3ccccc3O2)n1	1117984748	ALOFRTJWIAQEMJ-SNVBAGLBSA-N	304.375	1.807	50	20	DDGD	
CN(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](Br)C(C)(C)C	767015430	RPXFFNOHWOUNJF-UWVGGRQHSA-N	319.243	1.875	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(C(C)=O)cc2)cc1	1116023668	MGKDVGUGJAGXQV-UHFFFAOYSA-N	312.325	1.973	50	20	DDGD	
CCc1cccnc1C(=O)NNc1cccc(S(C)(=O)=O)c1	776538531	VBWGMVQSLQJNRT-UHFFFAOYSA-N	319.386	1.804	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NNC(=O)c2nnc(O)c3ccccc23)C1	776336215	IHESEHXAKQYYMD-ZJUUUORDSA-N	314.345	1.533	50	20	DDGD	
CO[C@H](C)c1nc(CNC(=O)NN=c2cc[nH]c(C)c2)cs1	875356944	GEISWZSNKBRKPQ-SNVBAGLBSA-N	321.406	1.802	50	20	DDGD	
CC1=C(C(=O)NNc2cnc3ccccc3n2)C(=O)OC1(C)C	774770186	NJLSDNWFYJIIMA-UHFFFAOYSA-N	312.329	1.725	50	20	DDGD	
O=C(COc1cccc(C(F)(F)F)n1)NNC(=O)C1CC1	776852398	RGCVPBDDAWIQDE-UHFFFAOYSA-N	303.240	1.037	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)c1nc2ccccc2s1)C(C)C	874914272	QPJMKEINHWFSLD-NSHDSACASA-N	307.375	1.728	50	20	DDGD	
C[C@@H](CBr)COC(=O)CCCS(C)(=O)=O	770372859	RUULCQGSMLSSQL-QMMMGPOBSA-N	301.202	1.385	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2nn(-c3ccccc3)cc2O)CCO1	773191163	OOJMUINIFYHBGF-NSHDSACASA-N	314.345	1.863	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C1(C)CC(F)(F)C1	873441257	OFZXBDUAYNNRLY-VIFPVBQESA-N	320.336	1.547	50	20	DDGD	
CC1=C(C)C(=O)N(CCC(=O)NNc2cc(F)ccc2F)C1=O	885140164	RJRWNCFYONQBPR-UHFFFAOYSA-N	323.299	1.503	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCN([C@@H]2CCCC[C@@H]2C)CC1	779817662	UIAKGUKCLFDORD-GXTWGEPZSA-N	324.425	1.489	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCCCCCCO)c1	775736881	ZDZAEQLWQUKKNG-UHFFFAOYSA-N	304.350	1.055	50	20	DDGD	
CCC1CCC(CNC(=O)NNC(=O)C2CCOCC2)CC1	883212534	JYIDQWADFQEQBL-UHFFFAOYSA-N	311.426	1.960	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NNC(=O)C1CCOCC1	883066983	PSNNVDWOQGSAKC-VXGBXAGGSA-N	308.403	1.734	50	20	DDGD	
CN1C[C@H](NC(=O)CCCC[C@H]2CCSS2)C(=O)N1	777771243	GFKDJCHDKNKIPV-UWVGGRQHSA-N	303.453	1.162	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](CC)c1ccc(F)cc1	772359595	UOARVCMEWFSLBF-GXFFZTMASA-N	324.352	1.808	50	20	DDGD	
O=S(=O)(CCCCl)N1CC(O)(c2ccc(F)cc2)C1	882083185	YTKNTNJZQOMAQT-UHFFFAOYSA-N	307.774	1.288	50	20	DDGD	
NC(=O)C[C@H](NS(=O)(=O)CCCCl)c1ccccc1	882222308	JHEPTEDKEOTIMQ-NSHDSACASA-N	304.799	1.151	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)cn1	781581256	BCLWMYISPUQUOV-UHFFFAOYSA-N	320.780	1.950	50	20	DDGD	
CC1(C)Cc2cc(C(=O)NNC(=O)c3cccnn3)ccc2O1	882056128	KJLJSFKRWWTQPH-UHFFFAOYSA-N	312.329	1.265	50	20	DDGD	
COc1cc(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)on1	788258975	JEOINCJXWYEGFS-UHFFFAOYSA-N	319.321	1.534	50	20	DDGD	
CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)C1CCOCC1	883064717	MATDZQCNCLRCCR-HNNXBMFYSA-N	320.389	1.726	50	20	DDGD	
O=C(CCc1ccc(Cl)cc1)NNC(=O)C1CCOCC1	883060512	OEBWJLSMUCHEIQ-UHFFFAOYSA-N	310.781	1.847	50	20	DDGD	
C#CCCCCCC(=O)NNc1nccc(N2CCOCC2)n1	780640418	CMZIDKWNUUMWSJ-UHFFFAOYSA-N	317.393	1.340	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccccc2)CCC1)c1cccnn1	882059463	XJLIEOFUNUYLCV-UHFFFAOYSA-N	310.357	1.651	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccn(CCC#N)n2)cc1	783346681	XJVIKGZUDCBQDK-UHFFFAOYSA-N	312.333	1.187	50	20	DDGD	
CCc1cc(NNC(=O)C2CSC2)nc(-c2ccccn2)n1	896306690	YAQIDBSRZMKIEG-UHFFFAOYSA-N	315.402	1.907	50	20	DDGD	
Cc1ccc(F)cc1C(=O)NNc1ccccc1S(N)(=O)=O	788231472	HVLKJVIWVSJPIT-UHFFFAOYSA-N	323.349	1.538	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC[C@H](COc2ccccc2)C1	780374079	MNLNQCMONDKCCZ-KGLIPLIRSA-N	319.405	1.333	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)C[C@@H]1CCS(=O)(=O)C1	788185138	URXVZTFQMQHKNT-VIFPVBQESA-N	316.354	1.102	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCN(Cc3ccccc3)C2)CC1	790176070	MAXFYTYHQYIJDW-UHFFFAOYSA-N	315.421	1.205	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCC2(C#N)CC2)c1	797581365	UBTVZOCARRUJPY-UHFFFAOYSA-N	302.334	1.008	50	20	DDGD	
N#Cc1cccc(C(=O)NNS(=O)(=O)c2ccsc2)c1	795314950	QPJIXIDQCXWLDA-UHFFFAOYSA-N	307.356	1.243	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc2c(c1)CCCC(=O)N2	798307260	MPSMIFIBMQXZPN-UHFFFAOYSA-N	318.402	1.256	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@H](O)Cc1ccccc1	792776086	FLTFCOWZEGRIIY-AWEZNQCLSA-N	301.302	1.642	50	20	DDGD	
CCN(CCNC(=O)NNc1nc2ccccn2n1)C(C)C	790278314	ZDFQUAYSUGCVKP-UHFFFAOYSA-N	305.386	1.086	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccc(O)c(C)c1	792797416	BJZHCWKCZZFJIK-UHFFFAOYSA-N	314.341	1.713	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)C[C@@H]1CCCOC1	793682586	OWOIPVKGYQTOHL-NSHDSACASA-N	312.391	1.350	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2cnc(C3CC3)[nH]2)c1	1319081803	KQOZBBNBTDPUIA-UHFFFAOYSA-N	313.361	1.428	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(N2CCCC2)cc1	1319057302	RPCXOTAFOMKBMC-AWEZNQCLSA-N	319.405	1.788	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNc1ccc(C(C)(C)C)nn1	1323365442	WZYBFHTUSMWKKA-UHFFFAOYSA-N	302.382	1.827	50	20	DDGD	
COc1cc(F)cc(NC(=O)NNC(=O)[C@@H]2CCCCO2)c1	1324643088	BUPKMXZMDANIBG-LBPRGKRZSA-N	311.313	1.556	50	20	DDGD	
O=C(NNC(=O)C1(c2cccnc2)CCCC1)[C@@H]1CCCCO1	1326586909	FDKAAVNBXIRNLG-AWEZNQCLSA-N	317.389	1.610	50	20	DDGD	
COCC(C)(C)CNC(=O)NNC(=O)c1ccccc1Cl	1326096949	ILDDXDDMWDXRBB-UHFFFAOYSA-N	313.785	1.957	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H](C)C2(OC)CCC2)cc1	1327375829	KUTDAFDKXZKIMH-NSHDSACASA-N	321.377	1.597	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)[C@@H]1CCCCCN1	1327196957	ZMZWWGQFCQFRRR-NSHDSACASA-N	302.338	1.107	50	20	DDGD	
CCCC(=O)Nc1ccc(O)c(C(C)=NNC(=O)C(=O)OC)c1	1322286666	REDGJLOKGJNYOH-UHFFFAOYSA-N	321.333	1.144	50	20	DDGD	
COCCO[C@@H]1CCCN(S(=O)(=O)CCCCCl)C1	193890396	MASCTXPXTSACHD-GFCCVEGCSA-N	313.847	1.463	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCC[C@H]21)c1cncn1-c1ccccc1	1252589681	NRQNLJHFRJUICW-NHAGDIPZSA-N	310.357	1.679	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H]1CC(c2ccccc2)=NO1	1337468656	QOUMZMXGJYUYFA-GFCCVEGCSA-N	306.391	1.083	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]1F)c1cccc(Br)c1	1347471520	MAGKQIYJRJMCOF-DTWKUNHWSA-N	301.115	1.568	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cccc(Br)c1O	1261910780	JRANEOYTVHIILH-ZETCQYMHSA-N	303.156	1.112	50	20	DDGD	
CN(CC(=O)OC[C@@]1(C)C[C@@H]1Br)C(=O)C1CC1	1344034331	FSMTZQGDSABCOD-JOYOIKCWSA-N	304.184	1.572	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC2CCC(=O)CC2)cc(C#N)n1C	1262189931	XFZOJXDMTROZKB-NTUHNPAUSA-N	310.357	1.740	50	20	DDGD	
Cn1cncc1CNC(=O)NNc1ccc(C(C)(C)C)nn1	1348619735	ZPNSKMQQZYEFAZ-UHFFFAOYSA-N	303.370	1.334	50	20	DDGD	
CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)c2cccc(CCl)c2)O1	1358101195	NYEZJIHXYBUKCL-KGLIPLIRSA-N	324.808	1.791	50	20	DDGD	
CCC[C@@H](O)CNS(=O)(=O)c1ccc(CCCl)cc1	158678966	KMYFMZRDMKXBNS-GFCCVEGCSA-N	305.827	1.907	50	20	DDGD	
O=C(NNC(=O)[C@@]12CCC[C@@H]1C2)c1cncn1-c1ccccc1	1290228296	MFDOZCABTGYVHW-SJKOYZFVSA-N	310.357	1.824	50	20	DDGD	
CCCNC(=O)NNC(=O)c1c(Br)cnn1CC	1520830183	JEXFCOKXIWWZJI-UHFFFAOYSA-N	318.175	1.020	50	20	DDGD	
O=C(O)[C@H](O)C1CCN(C(=O)c2cccc(CCl)c2)CC1	1601681500	BIOQSZUIXXOFDU-CYBMUJFWSA-N	311.765	1.723	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CC[C@H](C(=O)O)CC2)c(O)c1	1600341197	RSZLQLSADJLBTM-XYPYZODXSA-N	320.345	1.353	50	20	DDGD	
NC[C@@H]1CCCC[C@@H]1NC(=O)NNc1ccc(C(=O)O)cc1F	1601187468	SKMZWXQLLYJLOQ-JQWIXIFHSA-N	324.356	1.668	50	20	DDGD	
O=C(O)CCc1csc(NC(=O)NNc2ncccn2)n1	1602046109	BAVUIGKEALMCIX-UHFFFAOYSA-N	308.323	1.099	50	20	DDGD	
N#CC1=CCN(Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1	1606344755	SYECUCPSERJVCJ-UHFFFAOYSA-N	311.305	1.431	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)[C@H]1CCc2n[nH]cc2C1	1610852594	XMAKIXHGBJFQLI-VIFPVBQESA-N	300.318	1.356	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)C1(N)CCCCC1	1579310839	ZLIQMWMDOWIZLN-UHFFFAOYSA-N	322.434	1.674	50	20	DDGD	
CS(=O)(=O)SCCNC(=O)CC1(CN)CCCCC1	1579349226	WQXGFFNNKALRKU-UHFFFAOYSA-N	308.469	1.095	50	20	DDGD	
COC[C@]1(C(=O)NNc2ccc(C(C)(C)C)cc2)CNCCO1	1578976931	OMEKXSWOHHQXKM-KRWDZBQOSA-N	321.421	1.432	50	20	DDGD	
C[C@H]1NCCn2c(C(=O)NNc3cccc(Cl)n3)ccc21	1576894862	QQDGTLZWJOBHAQ-SECBINFHSA-N	305.769	1.958	50	20	DDGD	
CC[C@@H](CNC(=O)NNc1cccc(C(=O)OC)c1C)C(=O)O	1589538498	LIEUBIMPVUUITG-JTQLQIEISA-N	323.349	1.519	50	20	DDGD	
O=C(C[C@@H](O)c1cccc(F)c1)NNc1ncccc1C(=O)O	1594675815	IDPVBKQYUAWDAJ-GFCCVEGCSA-N	319.292	1.486	50	20	DDGD	
COc1cccc(OCC(=O)NNc2ccccc2C(=O)O)c1	1599681327	DTGIMENPZZGYGA-UHFFFAOYSA-N	316.313	1.916	50	20	DDGD	
Cc1c(C(=O)NN(C)c2ccccc2)cccc1-c1nn[nH]n1	1591809332	MTUJARZQOMKXMS-UHFFFAOYSA-N	308.345	1.956	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(C(=O)O)c(F)c1)[C@H]1CCCNC1	1593102843	XWWYIAADMRGYSP-ZJUUUORDSA-N	324.356	1.538	50	20	DDGD	
O=C(NNc1ncccc1F)c1cscc1-c1nn[nH]n1	1593167259	FMZGTNOSHCLTQW-UHFFFAOYSA-N	305.298	1.219	50	20	DDGD	
N#CSCCCNC(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1	1592681362	SIIUOHICXWJNNN-UHFFFAOYSA-N	322.781	1.854	50	20	DDGD	
CC(C)NC(=O)/C(C#N)=C/c1ccccc1O[C@H](C)C(=O)O	1591635606	PHLIDONOXGLATJ-KAQJVSAMSA-N	302.330	1.970	50	20	DDGD	
CC(C)(CCNC(=O)/C(C#N)=C/c1ccc(O)cc1)C(=O)O	1590670440	WMNFGRZUTQPASO-FMIVXFBMSA-N	302.330	1.916	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@@H](C(=O)O)C2CC2)c1	1593703900	LGJLXGJVPOXZRK-LBPRGKRZSA-N	320.349	1.334	50	20	DDGD	
C[C@@H]1C(=NNC(=O)[C@@H]2CCN2C(C)(C)C)CC[C@H]1CC(=O)O	1776098701	VDHOQOXAIHYUEW-GVXVVHGQSA-N	309.410	1.852	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc(/C=C/C(=O)O)cc1	1776129827	YGCWEVMWXOHEFL-URQCCFOISA-N	314.341	1.844	50	20	DDGD	
O=C(NN=C[C@@H]1C[C@@]12CCOC2)Nc1ccc(C(=O)O)cc1	1776046992	QUEOOBNAAJUAFJ-XHDPSFHLSA-N	303.318	1.919	50	20	DDGD	
CCONC(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1	11608548	NGCSYJVJCCLUBA-UHFFFAOYSA-N	311.338	1.378	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2	161165339	OIHVRYWLZNBJIA-UHFFFAOYSA-N	309.325	1.364	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1CC(C)(C)c2ccccc21	152725078	QZAUXKBMYJTPGA-CYBMUJFWSA-N	305.378	1.776	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc2ccccc2n1	154037371	HZUIYGWSHHVRCP-UHFFFAOYSA-N	320.443	1.707	50	20	DDGD	
CC(C)(C)NC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	157283020	GHHCVPHZOYQMHE-UHFFFAOYSA-N	301.350	1.615	50	20	DDGD	
CC(C)C[C@H](C(=O)NNc1ncccn1)N1CCCCC1=O	154152049	VPAMGFREEPPLOI-GFCCVEGCSA-N	305.382	1.347	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(C2=NC[C@H](C)S2)CC1	159695512	NIPVISASJZQBTL-NIANNCQZSA-N	308.407	1.066	50	20	DDGD	
CCS(=O)(=O)CCN(C)C(=O)c1cccc(CCl)c1	1120627490	YBBAPCOVXITMAE-UHFFFAOYSA-N	303.811	1.932	50	20	DDGD	
CCc1n[nH]cc1C(=O)N(C)NC(=O)OCc1ccccc1	862287386	RZCUXSYCJSDLDO-UHFFFAOYSA-N	302.334	1.886	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)Cc2ccc(F)cc2)cc1	24302626	GIXVAXNCETWLGP-UHFFFAOYSA-N	315.348	1.895	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2ccc(C#N)cc2)n1C	53164996	STPNXTPGYLRRNW-UHFFFAOYSA-N	312.329	1.045	50	20	DDGD	
C#CCCCNC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	173323368	GCDTUMHRKPPBPP-CQSZACIVSA-N	317.389	1.815	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)C1=NO[C@@H](c2ccccc2)C1	54354800	XCZZXZDIYYFCCI-OAHLLOKOSA-N	309.325	1.965	50	20	DDGD	
COCc1cc(CNC(=O)NNc2ncccn2)ccc1F	107853437	GGRSDESFLLHVPL-UHFFFAOYSA-N	305.313	1.588	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCCNC(=O)c1cccs1	178962260	JUDVEPNUDDLJBI-ZHACJKMWSA-N	307.375	1.428	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cn2ccc3ccccc32)nc1	107478310	FINANMZAYTUDLZ-UHFFFAOYSA-N	319.324	1.369	50	20	DDGD	
C[C@H]1CCC[C@@H](OCC(=O)NNC(=O)c2ccc(C#N)cc2)C1	112632410	QSAIZBWHSYXMOC-SWLSCSKDSA-N	315.373	1.915	50	20	DDGD	
CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NNC(=O)C1CC1	66370383	JDNIAUUTPRXNKB-CQSZACIVSA-N	317.389	1.071	50	20	DDGD	
O=C(CC[C@H]1CCOC1)NNC(=O)c1cccc([N+](=O)[O-])c1	176404005	UXQILVWIDKRKHJ-JTQLQIEISA-N	307.306	1.173	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)C1(O)CCSCC1	305730232	UAALDZIOFJRBJC-UHFFFAOYSA-N	306.309	1.805	50	20	DDGD	
CC[C@H](C)NC(=O)CCNC(=O)NNc1c(F)cccc1F	172472671	YQDOYJVYOUHONA-VIFPVBQESA-N	314.336	1.896	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)CCc1nc2cccnc2[nH]1	111606966	FGXRJKIMIVNVKB-UHFFFAOYSA-N	303.366	1.474	50	20	DDGD	
Cc1ccsc1CCCC(=O)NNc1ccc(C(N)=O)nn1	119454941	AOGYIAPCQZGRKQ-UHFFFAOYSA-N	319.390	1.411	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(CCCO)CC(C)(C)C	111230189	XGKCUPQFILVAKX-ZDUSSCGKSA-N	315.458	1.299	50	20	DDGD	
CC(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1	24311193	MYEDCFUMRVRPPN-SSDOTTSWSA-N	301.140	1.384	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc(O)c(Cl)c2)cc1	61633527	XRAVVSNOHPEPRN-UHFFFAOYSA-N	315.716	1.992	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H](NC(C)=O)C(C)C)c1ccccc1	110339902	PHNPIYAMGRPJGI-LSDHHAIUSA-N	319.405	1.488	50	20	DDGD	
CCN(CC)CC(=O)NNC(=O)c1ccc(Cl)cc1OC	68014778	HYQMMIORSCNJAC-UHFFFAOYSA-N	313.785	1.451	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](CCO)C(C)C	305128396	MBSYKIMWYMPQOX-LBPRGKRZSA-N	301.818	1.876	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2ccncc2)nn1C(C)(C)C	175779821	RIUWLLUDRKQVAM-UHFFFAOYSA-N	315.377	1.345	50	20	DDGD	
O=C(NNC(=O)c1ccc(O)cc1F)c1cccc([N+](=O)[O-])c1	181039145	QRPXSROQRVXFBL-UHFFFAOYSA-N	319.248	1.514	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NOC[C@@H]1CCOC1	188317503	SVLFGTZJHYXRAN-LLVKDONJSA-N	301.774	1.437	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1cccnc1-c1ccccc1	127301317	BEGWWIPVWPHQDP-UHFFFAOYSA-N	300.318	1.284	50	20	DDGD	
C[C@H](CCC(C)(C)C)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	77625050	XCPXQFJSECZGLS-RISCZKNCSA-N	319.471	1.582	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H](C)OC[C@@H]1CCCO1	70780937	JDWJGHGPKPWWBA-OLZOCXBDSA-N	306.362	1.340	50	20	DDGD	
CC(=O)N1CCC[C@@H]1C(=O)NNc1cc(F)c(F)c(F)c1	128688117	XXXFHWRWJQWCSZ-LLVKDONJSA-N	301.268	1.558	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCC(=O)N(C)CC)cc1	187276169	XGRFOLLBZCJPLM-GXDHUFHOSA-N	315.373	1.587	50	20	DDGD	
O=S(=O)(CBr)N1CCC([C@H]2CCCO2)CC1	372639609	NKGVGKRKAZNBDQ-SNVBAGLBSA-N	312.229	1.560	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)COC2CCCC2)cc1	76949640	GJBMFOFRNMMBNH-UHFFFAOYSA-N	305.378	1.514	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Nc1ccc(F)nc1	183241822	VMVOLECVAPGCQK-UHFFFAOYSA-N	318.308	1.625	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H](C)CC(=O)OC)c1ccccc1	132395718	SZVUFYCIEWXESW-AAEUAGOBSA-N	306.362	1.527	50	20	DDGD	
CO[C@H](C)C(=O)NNC(=O)c1ccc(F)cc1Br	48736439	ATLGNZVXNDXCCB-ZCFIWIBFSA-N	319.130	1.384	50	20	DDGD	
CC1CCN(CC(=O)NNC(=O)NCCc2cccs2)CC1	134963920	YGVGDWXOVWRBDH-UHFFFAOYSA-N	324.450	1.353	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1csc(Cl)c1	191753593	OIEGJOKHPFZASE-UHFFFAOYSA-N	317.798	1.467	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(CN(C)C)cc1	131927721	QAVGWPPFSKHJMZ-UHFFFAOYSA-N	301.350	1.304	50	20	DDGD	
CC(C)CN1CCC(NC(=O)NNC(=O)OC(C)(C)C)CC1	45463570	NOFDNWHGOUEDOC-UHFFFAOYSA-N	314.430	1.846	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@H]1OCCc2ccccc21	191887123	YDBQSEOMVFNLCM-AWEZNQCLSA-N	309.329	1.486	50	20	DDGD	
CC(=O)NNC(=O)Nc1cccc2c1CN(CC(F)(F)F)C2	193027857	KUEHZQNTGYXCLB-UHFFFAOYSA-N	316.283	1.737	50	20	DDGD	
CC(=O)C[C@H]1COCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	194851724	GOUMYNTVIQGFPD-MZLJFPOFSA-N	314.341	1.506	50	20	DDGD	
CCCCCNC(=O)NNC(=O)COc1ccccc1OCC	42845239	MHWQWWIRMMQKGH-UHFFFAOYSA-N	323.393	1.985	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1c(F)cc(F)cc1F	49275357	NACIGIAGAHMFSD-UHFFFAOYSA-N	311.285	1.006	50	20	DDGD	
O=C(CCNC(=O)c1ccco1)NNC(=O)CC1CCCC1	195218807	XFPMXXHLZJSWAL-UHFFFAOYSA-N	307.350	1.127	50	20	DDGD	
CC(=O)N(CCc1ccccc1)CC(=O)NNc1ncccn1	90151823	JGCIPCKZPXGOHP-UHFFFAOYSA-N	313.361	1.011	50	20	DDGD	
O=C(/C=C\SCc1ccco1)NNC(=O)Cc1ccncc1	254970908	FWNNWSJHWDVJEF-UITAMQMPSA-N	317.370	1.812	50	20	DDGD	
O=C(NC[C@@H]1CCS(=O)(=O)C1)NNc1c(F)cccc1F	265385918	BYISKZPONDTZSW-QMMMGPOBSA-N	319.333	1.026	50	20	DDGD	
CCCCCS(=O)(=O)CC(=O)NNc1ccc(Cl)nc1	266501078	FDMGAMCCYQXLCF-UHFFFAOYSA-N	319.814	1.783	50	20	DDGD	
CN(C)CC(=O)NNC(=O)COc1c(Cl)cccc1Cl	264942874	ALTFVDFMJZYAAK-UHFFFAOYSA-N	320.176	1.081	50	20	DDGD	
Cc1cc(C(=O)O)ccc1S(=O)(=O)NNC(=O)CC(C)C	268091401	AVXAWFZNFBZUSY-UHFFFAOYSA-N	314.363	1.049	50	20	DDGD	
Cc1cccc(C2(C(=O)NNC(=O)Cc3cccnc3)CC2)c1	264047551	VGKZTBVWUNWDFQ-UHFFFAOYSA-N	309.369	1.812	50	20	DDGD	
CCOC(=O)CNS(=O)(=O)c1ccc(CCCCl)cc1	264627020	QCTPYCGFUPSGMC-UHFFFAOYSA-N	319.810	1.699	50	20	DDGD	
Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NNC(=O)CN(C)C)c1	265069741	NRBKKXVMTXLOGG-ZDUSSCGKSA-N	321.421	1.595	50	20	DDGD	
C[C@@H](CO)CCCNC(=O)NNC(=O)Cc1ccc(F)cc1	270575410	VYUCSFXKJLHIFB-LLVKDONJSA-N	311.357	1.107	50	20	DDGD	
CC[C@@H](C(=O)NNc1cccc(F)c1[N+](=O)[O-])N1CCCC1=O	279202974	DDZYQYCWEQFRKP-NSHDSACASA-N	324.312	1.578	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CC[C@H]2CC[C@H](C)O2)nc1	270358500	FTXCCXRNUKAMGJ-CMPLNLGQSA-N	307.350	1.659	50	20	DDGD	
NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)CCCCCl	275507889	MCJCCBHVVWGTBQ-GFCCVEGCSA-N	318.826	1.021	50	20	DDGD	
COc1ccc(NNC(=O)[C@](C)(O)Cc2ccccc2)nc1	275573240	NTMUHTPKIDYCFP-MRXNPFEDSA-N	301.346	1.527	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)[C@H]2CCCS2)c1	272029408	OVNBEINUIJGOJQ-LLVKDONJSA-N	300.405	1.429	50	20	DDGD	
CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)c1cccc(N(C)C)c1	273305606	VMSXZYPEMLZMAR-LBPRGKRZSA-N	320.437	1.680	50	20	DDGD	
C[C@H](CC(=O)c1ccccc1)NS(=O)(=O)CBr	272831189	QYJIWUUQTNHVDD-SECBINFHSA-N	320.208	1.920	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1nnc2ccccc2n1	286902204	HBCGYSRTWSVDFH-UHFFFAOYSA-N	321.344	1.839	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@@H]1C[C@H]1c1ccc(F)cc1	280984192	PUTJVBXORAMTBN-QWHCGFSZSA-N	307.325	1.002	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](C2CC2)C(F)(F)F)o1	288469143	UEUFMWSRNMRSQI-VIFPVBQESA-N	305.256	1.873	50	20	DDGD	
O=C(CN1CCCCC1=O)NNC(=O)Nc1cccc(Cl)c1	283676788	GWLUVPLKFRDFCU-UHFFFAOYSA-N	324.768	1.505	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	289466192	GVLBNWVIPDMQHD-HWPZZCPQSA-N	322.430	1.961	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(-n2nc(C)cc2C)cc1	288482090	RYQACVDXMUQOGP-UHFFFAOYSA-N	302.378	1.712	50	20	DDGD	
COC(=O)N(C)NC(=O)CCC(=O)c1ccc2c(c1)CCC2	286194619	DDRVRGBOCGTIIR-UHFFFAOYSA-N	304.346	1.868	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2C)nn1	286978572	CMIOJEBILPHWGP-LCYFTJDESA-N	312.329	1.672	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc(F)n1)c1nnc2n1CCC2	287340008	LGZJSWWAXUALPH-MRVPVSSYSA-N	305.317	1.146	50	20	DDGD	
CC1(C)CC[C@H]1NC(=O)NNc1ccc(-n2cccn2)nn1	287934066	FAGMMGJWTFWLTA-SNVBAGLBSA-N	301.354	1.477	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NC[C@@H]1CCSC1	280334278	ZLDZWZBQMWFNDI-JTQLQIEISA-N	311.382	1.452	50	20	DDGD	
COCCN(C)NC(=O)C1(c2ccccc2C)CCOCC1	288159166	COVHGAWIVUAVCI-UHFFFAOYSA-N	306.406	1.653	50	20	DDGD	
CSSCCNS(=O)(=O)c1cccc2c1OCCO2	284812411	ZUWZBHYZXDLGGS-UHFFFAOYSA-N	321.445	1.747	50	20	DDGD	
O=C(NN=Cc1c[nH]c(C(F)(F)F)c1)C(=O)N1CCCC1	807967882	KYASSJCCROIDSM-UHFFFAOYSA-N	302.256	1.106	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ncsc2C(F)(F)F)O1	293876753	JKRJGWOSAVVREJ-WDSKDSINSA-N	323.296	1.490	50	20	DDGD	
Cc1ccccc1C[C@H](C)NC(=O)NNC(=O)[C@H]1CCCCO1	296318713	LLENBPKBUOSPBB-DZGCQCFKSA-N	319.405	1.826	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@H](F)C(F)(F)F	809981350	HSPSAWJLNGJYNJ-SECBINFHSA-N	312.650	1.930	50	20	DDGD	
N#Cc1ccc(Cl)c(C(=O)NNC(=O)N=c2cc[nH]cc2)c1	803394164	OMLRCEUVAXHXFW-UHFFFAOYSA-N	315.720	1.495	50	20	DDGD	
Cc1[nH]c(C=NNC(=O)NCCc2cccs2)cc1C(=O)O	800810967	BGQZCZZKYHPLLF-UHFFFAOYSA-N	320.374	1.959	50	20	DDGD	
CCc1noc(CCCC(=O)NNC(=O)Nc2ccccc2)n1	801991283	IPISXALVFBCJAP-UHFFFAOYSA-N	317.349	1.808	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H](c2ccccc2)N(C)C)O1	294044830	YPNWFXVOWWADOB-UBHSHLNASA-N	305.378	1.004	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)Cc2coc3ccccc23)nn1	807046140	RBSZJTORTWRPMO-UHFFFAOYSA-N	311.301	1.008	50	20	DDGD	
Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NNc1nnc[nH]1	298237301	CHORXDYXLNQWPP-UHFFFAOYSA-N	323.666	1.125	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cc(OC)no2)cc1	802054626	JWZPWCVFPCGLGE-UHFFFAOYSA-N	306.278	1.158	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)CCCOC1	802101673	RTFORIOTJKLGBJ-OAHLLOKOSA-N	321.333	1.385	50	20	DDGD	
COc1cccnc1CC(=O)NNc1ncnc2ccsc12	807094371	WZYLGEWIQPLKQI-UHFFFAOYSA-N	315.358	1.781	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)N1CCC[C@H]1CF	296446893	OTXNOTZHKOQJHN-ZDUSSCGKSA-N	309.341	1.378	50	20	DDGD	
CC(C)(C(=O)NNc1cccc(Cl)n1)n1cc([N+](=O)[O-])cn1	817009183	YEZMGHWPMPPNRU-UHFFFAOYSA-N	324.728	1.718	50	20	DDGD	
Cn1ncc(Cl)c1C=NNC(=O)Nc1ccc2c(c1)OCO2	814992699	JIKPKHUZVLSLHP-UHFFFAOYSA-N	321.724	1.958	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NN=Cc3cn(C)nc3O)n[nH]2)cc1	814218037	KIDUFQDZSXSGSS-UHFFFAOYSA-N	324.344	1.588	50	20	DDGD	
O=C(NNC(=S)NC1CCC1)c1cc(Br)c[nH]1	814191283	FSVYQFMEFSKBQL-UHFFFAOYSA-N	317.212	1.439	50	20	DDGD	
C[C@H]1C[C@@H]1c1ccc(CCC(=O)NNC(=O)c2ccnnc2)o1	817692571	UDYQWORXVSBTAO-GWCFXTLKSA-N	314.345	1.587	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1ccn2ccnc2c1	810231958	SDJYCMFZOHGVMK-UHFFFAOYSA-N	301.228	1.439	50	20	DDGD	
COc1ccc(-c2ocnc2C(=O)NNC(=O)N(C)C)cc1	813428114	RYGWFQGPQQNJKH-UHFFFAOYSA-N	304.306	1.266	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1cnc2ccccc2n1	814951983	GARBIYKTDHKHTN-UHFFFAOYSA-N	322.324	1.865	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C(C)c1csnn1	814719390	MZNSWFZCOIQYOV-UHFFFAOYSA-N	306.347	1.466	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1csc(C(C)=O)c1	815277805	ABEGSUTUDZRCEF-MRVPVSSYSA-N	312.347	1.053	50	20	DDGD	
CN(C)CC(=O)NNC(=O)C1(c2c(F)cccc2F)CCC1	817718346	YFHYVMBEXXLTBM-UHFFFAOYSA-N	311.332	1.096	50	20	DDGD	
CN(C)N(C(=O)CC(C)(C)C1CC1)[C@H]1CCS(=O)(=O)C1	816776764	GIOZTGGOQZDNFL-LBPRGKRZSA-N	302.440	1.305	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1	729273060	DBCGLOXOOSUIAQ-GFCCVEGCSA-N	317.389	1.929	50	20	DDGD	
C[C@@H](CC(=O)O)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	827304759	ZSEXIMJUQOQTSH-LURJTMIESA-N	301.686	1.802	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@@H]1CCN(c2ccccc2)C1	823107900	DSQLXVHWHWVUDT-OAHLLOKOSA-N	324.384	1.298	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C	497257668	QJXWLCDDSGWQGY-QMMMGPOBSA-N	319.383	1.074	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccccc1SCC(N)=O	494469495	KYRDWAKKKYPCTA-UHFFFAOYSA-N	312.351	1.047	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H](c1cccs1)C1CC1	825660401	PCJPSPIRRAIHDM-XHVZSJERSA-N	323.418	1.955	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC2(CCCCC2)C1	827289571	UHJLSOLGFBAENV-CHWSQXEVSA-N	309.410	1.808	50	20	DDGD	
CCCNC(=O)CCNC(=O)/C(C#N)=C/c1ccc(F)cc1	490874574	GUNYJZVAVCVZLI-JLHYYAGUSA-N	303.337	1.765	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCc1cc(C(N)=O)no1	490843605	ONBPGPGLHNVQMI-YHYXMXQVSA-N	314.276	1.136	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)[C@H](C)c1ccccc1	827314627	HQWGXRYMXOARTG-DYEKYZERSA-N	305.378	1.845	50	20	DDGD	
CC(C)(C)OC(=O)CCNC(=O)NNC(=O)OC(C)(C)C	495644130	ILGLWQIXGPJGLR-UHFFFAOYSA-N	303.359	1.457	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)N1CC=C(C#N)CC1)C2	496417733	MHEBBCCIIFYJAP-MJBXVCDLSA-N	301.346	1.312	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1ccc(C(=O)OC)cc1	822777758	QRMVVXOLAGIDHC-UHFFFAOYSA-N	307.350	1.146	50	20	DDGD	
C[C@H]1CCCC[C@@H]1OCCNCc1ccc(B(O)O)cc1F	585015478	CVWYOXWRWKESDX-LRDDRELGSA-N	309.190	1.190	50	20	DDGD	
Cn1cc(C(=O)N2CC[C@H](B(O)O)C2)c(C2CCCCC2)n1	585071675	ZATTWKIIVORNPA-LBPRGKRZSA-N	305.187	1.157	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C/c1cc2c(cc1OC)OCO2	491081484	GKJIDAFSIRETRI-CDLVRLLZSA-N	318.329	1.482	50	20	DDGD	
CCN(Cc1ccc(C)cc1)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	827308156	YSSUEROQSCELAV-UKRRQHHQSA-N	319.405	1.983	50	20	DDGD	
CN1CCCC[C@H](C(=O)NC[C@]2(C)C[C@@H]2Br)C1=O	824804608	KTCDCPSHMOFHFM-NRUUGDAUSA-N	317.227	1.535	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc3c(c2)C[C@H](C)O3)o1	829831301	LMFHTMVBYQJKSR-JTQLQIEISA-N	300.314	1.986	50	20	DDGD	
CCOC(=O)N1CCC[C@H](C(=O)NCCSSC)C1	495602799	NKOCOBBEHHLOEE-JTQLQIEISA-N	306.453	1.982	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(NC(=O)OCC)cc1	490636759	WIFKKPVAKKFJHK-UHFFFAOYSA-N	322.390	1.550	50	20	DDGD	
C[C@@]1(C(=O)NCc2nnc3n2CCCC3)C[C@@H]1Br	906238464	DYGBHBRKXHANPV-QPUJVOFHSA-N	313.199	1.404	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc(OC[C@H]2CCCO2)cc1	732141468	RGALBIQKJWVUGY-OAHLLOKOSA-N	318.373	1.806	50	20	DDGD	
Cc1occc1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	826342764	YTARVWJEKGQZNO-UHFFFAOYSA-N	319.712	1.573	50	20	DDGD	
CN(C[C@H](O)Cc1ccccc1)C(=O)/C(C#N)=C\c1cnn(C)c1	490968918	CSYGQAQTUWMUCZ-QOTSWMAJSA-N	324.384	1.389	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](CCO)COC)cc1	490813151	OKAOQZLDYHKXPB-IPJDOKCGSA-N	318.373	1.506	50	20	DDGD	
CCC(CC)[C@@H]1C[C@H](NC(=O)c2ccc(B(O)O)cc2)CCO1	584972288	SEDBOAMOOVJXSP-CVEARBPZSA-N	319.210	1.080	50	20	DDGD	
CN(C/C=C/C(=O)NNC(=O)NC1CCCC1)CC(F)(F)F	493470721	WPDHVIGKQBMMBQ-QPJJXVBHSA-N	322.331	1.310	50	20	DDGD	
CC(C)COC[C@@H](NCc1ccc(B(O)O)o1)c1ccco1	585020890	LPJKLKPWXLYOSV-CYBMUJFWSA-N	307.155	1.056	50	20	DDGD	
CCN(CC(=O)NNC(=O)C1CC1)c1ccc(OC)c(OC)c1	733194528	YKNOCAYZAWFIGC-UHFFFAOYSA-N	321.377	1.088	50	20	DDGD	
O=[N+]([O-])c1cc(Cl)ccc1CCNS(=O)(=O)CCl	831048209	JRTZOADBLLYRRL-UHFFFAOYSA-N	313.162	1.906	50	20	DDGD	
CCC[C@H](CNC(=O)NNc1ccc2c(=O)[nH]ccc2c1)OC	838639581	FKRQBNQIJFCMBB-CYBMUJFWSA-N	318.377	1.969	50	20	DDGD	
CCC[C@H](NC(=O)c1cc(B(O)O)ccc1F)c1cccs1	584934557	QVPGHOJSHGZJFT-ZDUSSCGKSA-N	321.182	1.838	50	20	DDGD	
O=C(OCc1ccccc1)[C@H]1CCCN1S(=O)(=O)CCl	830439381	DQECCLJRQGZPMB-GFCCVEGCSA-N	317.794	1.720	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1)c1ncon1	832830114	HZZDYCKNFQOGCD-QWHCGFSZSA-N	314.345	1.490	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCCO1)c1ccc(N)c([N+](=O)[O-])c1	834984529	BDZBZOPJQYXLOR-ZDUSSCGKSA-N	306.322	1.586	50	20	DDGD	
Cc1cc(C#N)cc(NC(=O)NNC(=O)CC(F)(F)F)c1	836774049	PTNCGQMGBDAAQU-UHFFFAOYSA-N	300.240	1.972	50	20	DDGD	
Cc1cc(Br)c(O)c(CN2CC[C@@H](B(O)O)C2)c1	585077457	UJOGYBCEHAMKSZ-SNVBAGLBSA-N	313.988	1.512	50	20	DDGD	
C=C(CC)CNC(=O)NNC(=O)COc1ccc(C)c(C)c1	838719338	GYFBVUPCROFOAX-UHFFFAOYSA-N	305.378	1.979	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C#CC(C)(C)C	837310082	ICLOAUPHPFYXTK-NSHDSACASA-N	306.337	1.790	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@]2(C)CCCCO2)cc1	837315467	ZXQGBECSWPHPLO-MRXNPFEDSA-N	319.361	1.040	50	20	DDGD	
C[C@H](CNCc1ccc(B(O)O)cc1F)Oc1ccccc1F	585026133	CIEKNCWFUPYHFN-LLVKDONJSA-N	321.132	1.202	50	20	DDGD	
CC(=O)NNC(=O)[C@H](C)Cc1ccc(OC(F)(F)F)cc1	839464872	KQPKXLAUQLBEEL-MRVPVSSYSA-N	304.268	1.931	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CC[C@@H](c3cccc(F)c3)C2)o1	585038993	LVOFPBUCHLPCBV-TZMCWYRMSA-N	303.142	1.524	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1ccc2c(c1)OCCCCO2	834982663	IVJGDJBPEKIYFT-UHFFFAOYSA-N	314.345	1.654	50	20	DDGD	
CCn1ccnc1C(C)=NNC(=O)COc1ccc(C#N)cc1	834920938	CBQYCLUDUZFZRD-UHFFFAOYSA-N	311.345	1.694	50	20	DDGD	
C[C@H](C(=O)NCC(Cl)Cl)N1C(=O)[C@H]2CCCC[C@H]2C1=O	837651869	RDXVRKLPKGGFSA-HLTSFMKQSA-N	321.204	1.470	50	20	DDGD	
CC(CC(C)(C)C)=NNC(=O)CSc1nnc(O)nc1O	834938095	WDUGXZUQZVOLHL-UHFFFAOYSA-N	313.383	1.303	50	20	DDGD	
CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)NNC(=O)C1CCC1	735687662	QRMRRFJSCILOFU-STQMWFEESA-N	311.426	1.958	50	20	DDGD	
COc1cccc(NCC(=O)NN=C(C)Cc2cnccn2)c1	834932424	HOQZTMUJWRJWEF-UHFFFAOYSA-N	313.361	1.632	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1ccc(Br)cn1	733747877	WCCRSZRALMTJIT-UHFFFAOYSA-N	319.162	1.932	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ccc(OC(F)F)cn1	836654350	LKECAYOQDBBQED-UHFFFAOYSA-N	300.265	1.636	50	20	DDGD	
CC(C)(C)O[C@@H]1C[C@H]1c1nc(-c2ccc(B(O)O)cc2)no1	585051322	BRSKASCQOIXVND-VXGBXAGGSA-N	302.139	1.087	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=S)Nc1cccc(C)c1	734025682	BCKMMJXYVGPYLI-NSHDSACASA-N	311.407	1.364	50	20	DDGD	
O=C(Cc1cnn(-c2ccccc2)c1)NNC(=O)C1CCCC1	914844088	IRTIZWVREPZEAW-UHFFFAOYSA-N	312.373	1.752	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)NCC2CCC2)c(C)c1	743823402	MIYLUTVIDLVCJD-UHFFFAOYSA-N	307.419	1.913	50	20	DDGD	
COc1ccc(CCNC(=S)NNC(=O)c2ccc[nH]2)cc1	747768123	OSONBUZXLXOFGS-UHFFFAOYSA-N	318.402	1.375	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)Cc2nc3ccccc3n2C)CCN1C	741456115	HVHUMHNNTACYKQ-GFCCVEGCSA-N	313.405	1.702	50	20	DDGD	
Cc1cccc(S(=O)(=O)NNC(=O)C2CCCC2)c1C#N	749754561	DEKASAWZCYFVAN-UHFFFAOYSA-N	307.375	1.366	50	20	DDGD	
CC(C)C(=O)NNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21	743738008	PFMMPXZNFYWUAI-UHFFFAOYSA-N	304.306	1.353	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1ccc(OCCN(C)C)cc1	842554743	KJSNLDZOJNZBDN-CZUORRHYSA-N	319.405	1.502	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H]1CCN(c2ccc(F)cc2)C1=O	840726847	BDZDPRWNAQVNHU-PLSXKVAHSA-N	317.320	1.491	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1	918687299	MWWZJNZILDVBTN-UHFFFAOYSA-N	320.330	1.636	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(Cl)c(C#N)c1	843663494	XVUNOZGHAVBWPN-KCJUWKMLSA-N	307.737	1.398	50	20	DDGD	
COC(=O)CSCC(=O)NNC(=O)c1ccccc1Cl	849191857	WWPVZTPVXBLCIC-UHFFFAOYSA-N	316.766	1.007	50	20	DDGD	
CSCc1cccnc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843656249	AJVLKSSVAZRGQP-GXSJLCMTSA-N	309.391	1.131	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)[C@H]1C[C@]12CCOC2	848322133	QWFSVYFFMJJIEA-KCJUWKMLSA-N	313.155	1.109	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NC[C@H]1CCCNC1	841924138	UQZGXYVBZVSQIH-HNNXBMFYSA-N	318.421	1.339	50	20	DDGD	
COc1ccc(O)c(C(C)=NNC(=O)Cn2nc(C)cc2C)c1	916345382	WAKKNPJCWLRHEY-UHFFFAOYSA-N	316.361	1.755	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)CCOc2ccccc2)CCO1	747108118	NCMLOMCFGKNTSL-UHFFFAOYSA-N	321.377	1.307	50	20	DDGD	
COC(=O)N(C)NC(=O)C[C@@H](C)n1cc(Br)cn1	843882937	XSODMVJNVYQYAU-SSDOTTSWSA-N	319.159	1.326	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)CC(F)(F)F)c1ccncc1	745836188	MKYXOMBOHREQGE-VIFPVBQESA-N	304.272	1.816	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(OCC2CC2)cc1	843644637	CTAQQTISQFSWTF-ABAIWWIYSA-N	318.373	1.661	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCc1ccc(F)cc1F	746963534	GZQJXQUBDXFMPS-UHFFFAOYSA-N	311.210	1.748	50	20	DDGD	
O=C(COCC(F)(F)F)NNC(=O)c1cc2ccccc2o1	749474207	HHCMNTRINFJWKZ-UHFFFAOYSA-N	316.235	1.773	50	20	DDGD	
Cn1ncc2cc(C(=O)NNc3ccc(Cl)nn3)cnc21	747517888	GMFGPECUZBULMK-UHFFFAOYSA-N	303.713	1.169	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc3nncn3c2)n1	748333879	HVNYLNIBCURHKM-UHFFFAOYSA-N	303.713	1.238	50	20	DDGD	
COCCn1cc(C=NNC(=O)COc2ccc(F)cc2)cn1	743427850	CLAXAMQKPAZCKF-UHFFFAOYSA-N	320.324	1.198	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1cc(C(C)(C)C)ccc1OC	842574041	SFUIJPNLCDKMMS-UHFFFAOYSA-N	314.407	1.712	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1ccc(C(=O)O)c(F)c1	849177070	DPCMOBAQSTZINK-WQLSENKSSA-N	320.320	1.974	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1cnc2c(c1)C[C@@H](N)CC2	841321009	DAYQNJIZHQDEEM-LBPRGKRZSA-N	312.377	1.750	50	20	DDGD	
CCN(C)[C@H](C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccccc1	843662813	SXBOFOAMYNSZHK-SNPRPXQTSA-N	319.405	1.252	50	20	DDGD	
CN(CCCNC(=O)NNC(=O)C1CCCC1)CC(F)(F)F	916581308	YLTWILQMUFUHAN-UHFFFAOYSA-N	324.347	1.391	50	20	DDGD	
Cc1ccc(CCCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)s1	843651780	FQZBUTAYJFFDOY-WCQYABFASA-N	310.419	1.952	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc(-c2ccccn2)no1	746103588	QEDRKBZWSIBKGO-UHFFFAOYSA-N	311.301	1.150	50	20	DDGD	
CC[C@@H]1CCC[C@H](NC(=O)NNC(=O)[C@H](C)OCCOC)C1	748634040	VENSTRHPVRXGDE-XQQFMLRXSA-N	315.414	1.337	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(C)c(Br)c1	746838394	FIHRNBDMOXWMEZ-UHFFFAOYSA-N	300.156	1.721	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccc(F)c(C(F)(F)F)c1	841088323	ZRJQQAFVWCXKNO-UHFFFAOYSA-N	322.262	1.736	50	20	DDGD	
COCCn1cc(C(=O)NNc2cccc(C#N)c2)ccc1=O	748049926	OFFPLJKAURKNKB-UHFFFAOYSA-N	312.329	1.123	50	20	DDGD	
CN(C)c1nc(CNC(=O)NNC(=O)OC(C)(C)C)cs1	747588128	CMFLDEAHFPVSRE-UHFFFAOYSA-N	315.399	1.448	50	20	DDGD	
Cc1noc(C(F)F)c1C(=O)NNC(=O)NC1CCCC1	746174955	WQAQJEVEHHITQA-UHFFFAOYSA-N	302.281	1.807	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)C1CCCC1)c1ccc(C)o1	746777274	LIYGRAVLHXCOAS-GFCCVEGCSA-N	309.366	1.796	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C1CCC[C@H](c2ccnn2C)C1	842557040	CUVNCPZPUCJFMI-OBJOEFQTSA-N	304.394	1.975	50	20	DDGD	
Cc1nc2cccc(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)c2[nH]1	843970832	LXWXMFUGXKOPMX-PSASIEDQSA-N	302.334	1.057	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC[C@H](N)C1CC1)c1ccccc1	841965526	HSKSUYSGSGQNTB-KGLIPLIRSA-N	304.394	1.248	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)COC(F)(F)F)cc1	929287014	BEMROUOHTQFLRH-UHFFFAOYSA-N	306.240	1.058	50	20	DDGD	
NC[C@H](NC(=O)NNC(=O)CCc1ccccc1)C1CCCC1	841984511	DTVMSUONRDSAGJ-HNNXBMFYSA-N	318.421	1.467	50	20	DDGD	
CCN(C)C(=O)[C@@H](C)NC(=O)NNc1c(F)cc(F)cc1F	922155997	IUVGGPRYIWEAEB-SSDOTTSWSA-N	318.299	1.597	50	20	DDGD	
C[C@@H]1CCCc2ncc(C(=O)NNc3ncnc4[nH]cnc34)n21	846635427	NLXAAMFROZWSIX-MRVPVSSYSA-N	312.337	1.204	50	20	DDGD	
CC(C)CCNS(=O)(=O)c1ccc(NC(=O)NN)cc1	841163822	AENRJRYSNRCABM-UHFFFAOYSA-N	300.384	1.006	50	20	DDGD	
CC1(C)OCC(NC(=O)NNc2cc(F)ccc2F)CO1	921949012	KIKSYYBQIDOVJX-UHFFFAOYSA-N	301.293	1.742	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc(Cl)ccc2O)O1	757373444	YIADSTNEPAZEMI-CABZTGNLSA-N	312.753	1.764	50	20	DDGD	
C[C@@H]1COC[C@@H]1NC(=O)NNC(=O)c1cn(C)c2ccccc12	925992534	AGAJCBUQTCZXSZ-MFKMUULPSA-N	316.361	1.157	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(C)c(OC)c2)nc1	759738894	OFPXAWJDSVHUCN-UHFFFAOYSA-N	315.329	1.942	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cn(C2CC2)nn1)c1ccccc1	859329632	MGCUVIAOBLIIKF-ZDUSSCGKSA-N	313.361	1.568	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1cc(C)ccc1O	750938538	GKWHKTKMVUNWKX-UHFFFAOYSA-N	315.329	1.564	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)N[C@@H]1CCC[C@H]2OCC[C@@H]12	852204488	CXTAHSCWACRFLH-HOSYDEDBSA-N	322.340	1.122	50	20	DDGD	
CC[C@@H]1COCC1=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1	853280594	HJBYICPKLRXYSJ-IGQOVBAYSA-N	311.426	1.260	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(C)n(-c2cccc(F)c2)n1	757923093	KEBOAUNBMFEGBG-UHFFFAOYSA-N	305.313	1.883	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)[C@H]1CC12CCC2	855831965	OKSVYHBFCJUNKE-LLVKDONJSA-N	309.410	1.267	50	20	DDGD	
C[C@]1(CNC(=O)c2cccc(C(N)=O)n2)C[C@@H]1Br	857393188	FBPKBUDJJOVMND-JOYOIKCWSA-N	312.167	1.084	50	20	DDGD	
CN(C)c1noc(CNC(=O)NNc2ccc(F)c(F)c2)n1	922384857	FVELYUDBSNFTRA-UHFFFAOYSA-N	312.280	1.240	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCc2ccoc2)cc1OC	753181385	LTIZBJNAXFOTQM-UHFFFAOYSA-N	318.329	1.691	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)c1	929390472	JMRDLCFCMALCBK-WMKFIOFKSA-N	313.401	1.806	50	20	DDGD	
COc1cc(CCC(=O)NNc2nccnc2C2CCC2)on1	854459709	PUINBVJCMSHQAU-UHFFFAOYSA-N	317.349	1.817	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)Cc2ccc(F)cc2)[C@@H]1C	858150923	NNTXZWBSOXMYPF-RSQPEXBXSA-N	308.353	1.575	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H](CCO)C2CC2)C[C@@H]1Br	856954482	HSDTXAJAPSEJBB-JBLDHEPKSA-N	305.216	1.620	50	20	DDGD	
O=C(NC[C@H]1CCCCN1C1CC1)NNc1ncc(Cl)cn1	856888145	IJXOOJGVQZZBPI-GFCCVEGCSA-N	324.816	1.773	50	20	DDGD	
C[C@@H]1CN(C(=O)NC[C@]2(C)C[C@H]2Br)C[C@]1(C)CO	856961341	YDUWPCJRDALJFC-VCDKRKBESA-N	319.243	1.820	50	20	DDGD	
COC(=O)NNC(=O)[C@H](C(=O)OC(C)(C)C)C1CCCC1	856756544	CHWHANUXJVXNTK-SNVBAGLBSA-N	300.355	1.522	50	20	DDGD	
CN(CC(=O)NC1CCOCC1)NC(=O)OCc1ccccc1	859387597	DLIALAIFFNTISO-UHFFFAOYSA-N	321.377	1.055	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCCc1ccn(-c2ccccc2)n1	751260102	JLWHUEVMJQIUBK-BUHFOSPRSA-N	310.357	1.975	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ccnn2C2CCCC2)n1	753453850	KWWJVVAKQVCIMT-UHFFFAOYSA-N	321.772	1.781	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=Cc2cnc[nH]2)cc1	755563693	OPHVZKYKACPHSB-NSHDSACASA-N	302.334	1.726	50	20	DDGD	
CSCc1cccc(NC(=O)NNC(=O)c2cnccn2)c1	756502562	IGYDMSDKHXXIEQ-UHFFFAOYSA-N	317.374	1.806	50	20	DDGD	
CCN1C[C@H](NC(=O)NC[C@@]2(C)C[C@@H]2Br)CC1=O	856862053	QTYAYQKTPURQGL-VDDIYKPWSA-N	318.215	1.080	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=Cc2cc(C(N)=O)cs2)c1	755881197	SDPIFABCBINFLK-UHFFFAOYSA-N	316.386	1.677	50	20	DDGD	
O=C(NNC(=O)N1CC[C@@H](C2CCC2)C1)c1cccc(F)n1	852711074	CPUWXEXJXFFTLZ-LLVKDONJSA-N	306.341	1.697	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)Cc2cccnc2)ccc1Cl	754232717	BMFMIFAREQQSSK-UHFFFAOYSA-N	314.732	1.610	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2ccc3nncn3c2)c1	759324585	FMCUMDFMICJUNP-UHFFFAOYSA-N	301.281	1.634	50	20	DDGD	
O=Cc1cc(C(=O)NNC(=O)CCc2ccccc2)cs1	754997034	TXKQFIXRSGJUAO-UHFFFAOYSA-N	302.355	1.954	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)[C@H](O)C2CC2)c1	854378076	FRWYXTBQOCTYQB-LLVKDONJSA-N	313.741	1.272	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)c1ccc2c(c1)OCCO2	758895416	ZMSZWIMGOUWHNA-UHFFFAOYSA-N	317.345	1.205	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CN(C)C)ccc1C(F)(F)F	857105511	MJNAXPIMOFGHTL-UHFFFAOYSA-N	319.283	1.037	50	20	DDGD	
CCO[C@@H]1COCC[C@H]1NC(=O)NNc1ccc(Cl)cn1	852252801	LHZWYYUSFHXQHW-GHMZBOCLSA-N	314.773	1.555	50	20	DDGD	
CC(C)(C)OC(=O)C1(C(=O)NNC(=O)c2ccccc2)CCC1	854137994	BQKJKVYGTKJRQL-UHFFFAOYSA-N	318.373	1.960	50	20	DDGD	
Cc1cccc(-c2n[nH]cc2C=NNC(=O)N2CCOCC2)c1	755674419	XSNGKBMUSSBIGN-UHFFFAOYSA-N	313.361	1.761	50	20	DDGD	
CCn1nccc1C=NNC(=O)c1cccc(S(C)(=O)=O)c1	753697339	MZMWARLYGKQHTL-UHFFFAOYSA-N	320.374	1.070	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C2CCCOc3c(Cl)cccc32)N1	863149200	UFRZQTXMZNCHJD-GFCCVEGCSA-N	321.764	1.612	50	20	DDGD	
O=C(Cc1csc2nccn12)NN=c1cc[nH]cc1Cl	768230284	IARKZJYNKHCQJG-UHFFFAOYSA-N	307.766	1.552	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C[C@H]2CCc3ccccc32)n[nH]1	869013920	KGSFIQNUZCTVOR-CYBMUJFWSA-N	312.373	1.528	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1Cl	862459325	QUIZJVRMEXXGEC-GFCCVEGCSA-N	323.780	1.503	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C=NNC(=O)[C@@H]2CCCCO2)c1C	863116322	MVHRVIGXKQBEAM-ZDUSSCGKSA-N	321.377	1.827	50	20	DDGD	
Cc1cccc(NNC(=O)CCn2c(C)c(C)sc2=O)n1	862523270	WSTLFYJZKSNOQX-UHFFFAOYSA-N	306.391	1.763	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	868115942	HUGYIYYHTWXMJT-NSHDSACASA-N	314.292	1.032	50	20	DDGD	
Cc1cc(COC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)nn1C	767995844	DLDDHXIRGQNIEO-MKMNVTDBSA-N	323.356	1.898	50	20	DDGD	
CN1C[C@@H]2CCCN(S(=O)(=O)CC(C)(C)CCl)[C@@H]2C1	867430598	KNLSBVARBDFTBO-NWDGAFQWSA-N	308.875	1.607	50	20	DDGD	
C[C@@H](CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)c1ccco1	861767977	ZQJPHQRJKXQLSD-NWDGAFQWSA-N	314.407	1.266	50	20	DDGD	
CN(C(=O)OC(C)(C)C)C1(C(=O)NNc2cnccn2)CCC1	860936742	DINFKEDTMBUYND-UHFFFAOYSA-N	321.381	1.709	50	20	DDGD	
C[C@@H]1CCC[C@@H](C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1	768360085	JZFIWJAURMZBDQ-IJLUTSLNSA-N	301.412	1.285	50	20	DDGD	
CN(N=Cc1cc(Br)c2c(c1)OCO2)C(N)=O	767909714	SRVDILXMWXEJCN-UHFFFAOYSA-N	300.112	1.522	50	20	DDGD	
O=C(Cc1ccco1)NNC(=O)c1cc(-c2cccs2)[nH]n1	765572104	VAPXGJONLFASDB-UHFFFAOYSA-N	316.342	1.735	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)N[C@@H]1CCC(F)(F)C1	763707993	PHIZPWGGICRBBR-SNVBAGLBSA-N	315.295	1.886	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)Nc2ccc(C(F)F)cc2)N1	933091572	CPIKUVUJHVQUJO-SECBINFHSA-N	312.276	1.056	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CSc1nccn1C(C)(C)C	768413230	OLVAZVYUGCFNIQ-UHFFFAOYSA-N	313.427	1.423	50	20	DDGD	
CC1(C(=O)NNCC(F)(F)C(F)(F)F)CCC(=O)CC1	863101969	OYJCFSUMFTZLQC-UHFFFAOYSA-N	302.243	1.954	50	20	DDGD	
C[C@H]1CCc2c(C(=O)NNC(=O)c3cn[nH]c3)csc2C1	862473384	PBAQNNPFRGXUPP-QMMMGPOBSA-N	304.375	1.671	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1	764895398	ITFUBOOJSUFNCO-SNVBAGLBSA-N	320.176	1.767	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1nnc2ccccc2n1	863099617	HSQVWLVBWSIONF-UHFFFAOYSA-N	321.209	1.457	50	20	DDGD	
CCC[C@]1(CO)CCCN1[C@H](C)C(=O)NNC(=O)CC(C)C	769912501	FCVZXKSJMRVQML-CZUORRHYSA-N	313.442	1.195	50	20	DDGD	
COCCn1cc(C(=O)NNc2cc(Cl)nc(C)n2)cn1	868909595	ZNHLCDNFKJRXCG-UHFFFAOYSA-N	310.745	1.038	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)c1cscn1	764048623	UFXKTUPHHHUPNA-UHFFFAOYSA-N	309.372	1.402	50	20	DDGD	
COC[C@H](C)NC(=S)NNC(=O)Nc1ccc(OC)cc1	762979731	XODJVLBGKIEWDH-VIFPVBQESA-N	312.395	1.231	50	20	DDGD	
COCC(=O)NN=Cc1ccc(-c2ccccc2C(=O)OC)o1	761820758	ZOYLMDNSMUGIIB-UHFFFAOYSA-N	316.313	1.830	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCCOC[C@H]1CCOC1	768064030	VWSDIDZWWZNNAI-WDEREUQCSA-N	322.243	1.965	50	20	DDGD	
O=C(NCCn1ccc(C(F)(F)F)n1)NNC(=O)C1CCC1	873148378	AMCBFDLIHFPHES-UHFFFAOYSA-N	319.287	1.032	50	20	DDGD	
Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)NNC(=O)C1CC1	1116298850	CBGOQMPTQDSGEH-UHFFFAOYSA-N	318.764	1.912	50	20	DDGD	
Cc1cc(=NNC(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc[nH]1	875073622	MRMPNPODKAEAEM-ZIAGYGMSSA-N	319.453	1.806	50	20	DDGD	
COC(=O)c1occc1C=NNC(=O)c1sc(N)nc1C	874124005	VWYQFNBNILJHHH-UHFFFAOYSA-N	308.319	1.177	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CN(CC)CC)c1	874950559	SIWXXGJXSLYZNR-UHFFFAOYSA-N	304.419	1.327	50	20	DDGD	
COc1c(C)cc(C(=O)NNC(=O)c2c[nH]nc2C)cc1C	773341730	KJHVQTCAGBMUJQ-UHFFFAOYSA-N	302.334	1.418	50	20	DDGD	
COCCOCC(=O)NN=Cc1cc2c(cc1OC)C[C@@H](C)O2	872403813	SLJPDSYETIUYEJ-LLVKDONJSA-N	322.361	1.132	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@@H](C)N2CCC(C)CC2)cc[nH]1	875169482	ADJHXEDHKXBUKN-CQSZACIVSA-N	305.426	1.558	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(C(C)(C)C)nn2)n(C)n1	1119313050	PHPLEZQKOSUOEA-UHFFFAOYSA-N	302.382	1.827	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccccc1C(=O)OC)N1CCCC1=O	777772870	OVGKKRQIUGIPMG-ZDUSSCGKSA-N	319.361	1.317	50	20	DDGD	
O=C(NNc1c(F)cccc1Cl)c1ccc2nnnn2c1	770204053	ZBOUJHMXPHCBLS-UHFFFAOYSA-N	306.688	1.674	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNc2cnccn2)ccc1C	770060388	JPAQOSANSFYARR-UHFFFAOYSA-N	301.306	1.720	50	20	DDGD	
COc1c([N+](=O)[O-])ccc(C=NNC(=O)CC(F)(F)F)c1O	773053930	ITBYEFJHZTUCHT-UHFFFAOYSA-N	321.211	1.712	50	20	DDGD	
CC[C@@H](C)NC(=O)c1ccc(NC(=O)NN(C)C(=O)OC)cc1	878415506	UOIJXAOKQPAUPI-SNVBAGLBSA-N	322.365	1.950	50	20	DDGD	
COc1cccc(NNC(=O)NCCCCn2ccnc2)n1	779982365	LMSQVGOEXCOZHB-UHFFFAOYSA-N	304.354	1.393	50	20	DDGD	
O=C(NNC(=O)N1C[C@H]2COC[C@H]2C1)c1cc2ccccc2o1	872920153	RNGRVFUAZCKZTJ-TXEJJXNPSA-N	315.329	1.365	50	20	DDGD	
CC(C)Oc1ccc(NC(=S)NNC(=O)[C@H]2C[C@@H](O)C2)cc1	874951330	SNMPSKRRTMIQHN-KLPPZKSPSA-N	323.418	1.562	50	20	DDGD	
O=C(CN1CCC=C(F)C1)NNC(=O)c1cccc(Cl)c1	778961523	UOVBCBQJMNEVRS-UHFFFAOYSA-N	311.744	1.660	50	20	DDGD	
Cc1cc(NC(=O)NNc2ccccc2[N+](=O)[O-])c(=O)n(C)c1	775677340	BOEGKACPUOZDKA-UHFFFAOYSA-N	317.305	1.751	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc(C(F)(F)F)n[nH]2)n1	773752327	QCIJZQOOYXFYPA-UHFFFAOYSA-N	300.244	1.592	50	20	DDGD	
CCC[C@@H](O)CC(=O)NNc1cccc(S(C)(=O)=O)c1	776720859	JGWOFIAYGQHNCC-LLVKDONJSA-N	300.380	1.084	50	20	DDGD	
COc1cccc(/C(C)=C\C(=O)NNC(=O)C2CCOCC2)c1	883065689	SNQADNDHTGIYSB-BENRWUELSA-N	318.373	1.673	50	20	DDGD	
CC(C[C@@H](C)CC(C)C)=NNC(=O)[C@H](C)NS(C)(=O)=O	779774658	ZFSGDZODVZCBMP-JQWIXIFHSA-N	305.444	1.489	50	20	DDGD	
CCCCn1cc(CNC(=O)NNc2cccnn2)c(C)n1	773712262	QDEZCOBBDOIOGN-UHFFFAOYSA-N	303.370	1.608	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)NCC2CC2)c1-c1ccccc1	775528752	JSPGXDIOSYWMEG-UHFFFAOYSA-N	313.361	1.441	50	20	DDGD	
C[C@]1(CCC(=O)NNc2c(F)cc(F)cc2F)CCC(=O)N1	885152236	YPRYKIKZDSESDY-CQSZACIVSA-N	315.295	1.996	50	20	DDGD	
CO[C@H]1CCC[C@@H]1C(=O)NNC(=O)c1c[nH]c2ccccc12	1120519537	MKLPVPPFJGCUMG-FZMZJTMJSA-N	301.346	1.744	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1scnc1C1CCCC1	883068349	QNXIQHZQGTVFDM-UHFFFAOYSA-N	323.418	1.988	50	20	DDGD	
CCc1ncoc1C(=O)NNC(=O)COc1ccc(C)cc1	1120497042	QFKPNTBFQLVRQK-UHFFFAOYSA-N	303.318	1.385	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cn2cc(C)ccc2n1	789021178	RXJKEOJUBHWAMW-UHFFFAOYSA-N	315.377	1.398	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F)C1CCCC1	785408179	FUYGENDRLRFXSX-DBIOUOCHSA-N	320.311	1.680	50	20	DDGD	
COc1csc(C(=O)NNc2ccc(-n3ccnc3)nn2)c1	788177958	NFTSZZWIWQKEQY-UHFFFAOYSA-N	316.346	1.489	50	20	DDGD	
CCN(CC)C(=O)CCCNS(=O)(=O)CCCCCl	780702469	ALNFIBFOPAFFBV-UHFFFAOYSA-N	312.863	1.573	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1ccnn1-c1ccncc1	784767453	SKFAEUXGPKGLPL-UHFFFAOYSA-N	322.328	1.349	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc3c(c2)ncn3C)cc1	783343134	LZRXJKCENCDWGT-UHFFFAOYSA-N	323.356	1.964	50	20	DDGD	
COc1cccc(NNC(=O)COc2ccccc2C=O)n1	781027345	NNNSZPHBKDSGII-UHFFFAOYSA-N	301.302	1.425	50	20	DDGD	
CCOC(=O)C1(CNC(=O)NNc2ccc(OC)cn2)CC1	781020782	YFRJTXLSRYZPMS-UHFFFAOYSA-N	308.338	1.060	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)[C@@H]1CCSC1	788562481	LKQNEWHCVQOHKZ-MRVPVSSYSA-N	307.404	1.796	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@H](CC)C(N)=O)cc1	782449185	SIBSNNLMVRNIGY-BRADTZPFSA-N	302.330	1.799	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H]1CCC[C@H](C(N)=O)C1	786866171	SOCJWAMFZWGBBG-VHSXEESVSA-N	322.317	1.801	50	20	DDGD	
COCc1ncsc1C(=O)NNC(=S)NC(C)(C)C	899997401	RUKZKWAWLKHXMI-UHFFFAOYSA-N	302.425	1.197	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)c1ccnn1CC(F)F	790823894	YTJUPROQEQGYJK-UHFFFAOYSA-N	301.684	1.954	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC(F)(F)C1)c1ccc2c(c1)OCO2	794868056	QZVMVCAHNPJRPJ-SECBINFHSA-N	312.272	1.612	50	20	DDGD	
COCCCNC(=O)NN=Cc1c(O)ccc(Cl)c1F	790159870	NMBQFQKRSNGEKF-UHFFFAOYSA-N	303.721	1.854	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(F)c(C#N)c2)n1	796880030	NKYZCASKZBXGQP-UHFFFAOYSA-N	301.281	1.561	50	20	DDGD	
C[C@](O)(Cc1ccccc1)C(=O)NNc1nc2ccccn2n1	791257337	HPQFLNNUHXWDPR-INIZCTEOSA-N	311.345	1.166	50	20	DDGD	
COC1(CC(=O)NNC(=O)Nc2ccc(N(C)C)cc2)CCC1	791123131	DHSNLIMFWYDACJ-UHFFFAOYSA-N	320.393	1.865	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)OCC(=O)NNC(=O)c1ccccc1	796003839	UZQHFJMQUSAUFP-RISCZKNCSA-N	322.361	1.052	50	20	DDGD	
CC(=NNC(=O)Cc1ccncc1)c1ccc(C(=O)N(C)C)cc1	793024612	GZOMQGHXHNQRTD-UHFFFAOYSA-N	324.384	1.866	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cl)nc2)o1	1319380996	ALBFSBXKJJSWLT-UHFFFAOYSA-N	323.692	1.189	50	20	DDGD	
CC(C)[C@H](C#N)C=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1	1319611708	BFZHMUKPRBAKPP-BYNSBNAKSA-N	308.426	1.629	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cncc(Cl)n2)cc1	1320761737	RULWAZPXPOPDGO-UHFFFAOYSA-N	306.709	1.213	50	20	DDGD	
O=C(CO[C@@H]1CCOC1)NNc1nc(C(F)(F)F)cs1	1322472500	LADPBNOQKPBJHL-ZCFIWIBFSA-N	311.285	1.411	50	20	DDGD	
O=C(NNC(=O)C1CC2(CC2)C1)c1cncn1-c1ccccc1	1328629243	XYXDRDYKVMZOAX-UHFFFAOYSA-N	310.357	1.824	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H](C)Oc2ccc(F)cc2)ncn1	1324430529	SISALVDKDQHYHJ-NSHDSACASA-N	302.309	1.842	50	20	DDGD	
CSc1ccccc1C(C)=NNC(=O)CN1CCCC1=O	1321217908	IQUQNMQYLRHZML-UHFFFAOYSA-N	305.403	1.871	50	20	DDGD	
CN(C)[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1cccc(F)n1	1328412073	IMAQOSBHFQATLI-JQWIXIFHSA-N	323.372	1.038	50	20	DDGD	
C[C@H](C=NNC(=O)C1CCOCC1)CNC(=O)OC(C)(C)C	1336992527	IJPRGKOGLJEJRP-NSHDSACASA-N	313.398	1.676	50	20	DDGD	
Cc1cccc(NNC(=O)NC2CCN(CC(F)F)CC2)n1	1330170353	RNMNUMIJINCWQG-UHFFFAOYSA-N	313.352	1.746	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CCc1cn(C)nc1C	1339124154	APPWYPFRVKJVNK-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
COC(=O)[C@]1(F)CCN(S(=O)(=O)CC(C)(C)CCl)C1	1331985234	YXYINHVNHBCWOR-NSHDSACASA-N	315.794	1.168	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N2CCC(F)CC2)C[C@H]1Br	1332247775	BVQRVSTVMSUBPV-BXKDBHETSA-N	321.190	1.237	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CCCc2ccccc21	1263119777	NJOKIWGTFSRTPF-OSAQELSMSA-N	317.389	1.819	50	20	DDGD	
CO[C@H]1CCC[C@@H]1C(=O)NNC(=O)c1cccc2ncccc12	1262607454	ASAJMZJKMWSMSN-ZFWWWQNUSA-N	313.357	1.811	50	20	DDGD	
O=C(NNc1cc(F)ccc1Br)c1cnn[nH]1	1457865835	QSYBWTSCVCQIBQ-UHFFFAOYSA-N	300.091	1.463	50	20	DDGD	
O=C(NN[C@@H]1CCCSC1)Nc1cccc(-c2nn[nH]n2)c1	1606854038	DOJMLHCJFNHPLJ-LLVKDONJSA-N	319.394	1.388	50	20	DDGD	
N#Cc1cc(NC(=O)NNc2ccc(C(=O)O)c(F)c2)ccn1	1601090654	LWYLDFJPBXKABV-UHFFFAOYSA-N	315.264	1.939	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)O)CC1)c1cccc(C(F)(F)F)c1	1605814633	LGYVKCVAWDWRLE-UHFFFAOYSA-N	316.235	1.331	50	20	DDGD	
O=C(Cn1cc(C2CC2)cn1)NNc1ccccc1C(=O)O	1608377067	IUPPYTCXEDIGGE-UHFFFAOYSA-N	300.318	1.602	50	20	DDGD	
O=C(/C=C/c1cc(C(=O)O)co1)NN=c1cc[nH]c2cccnc12	1601235240	PGGWQZHCISQDMY-ONEGZZNKSA-N	324.296	1.499	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H](F)Cc2ccccc2)nc1	1608903767	NCBQGZKECBBDCY-GFCCVEGCSA-N	303.293	1.804	50	20	DDGD	
Cc1conc1C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1605999625	YRSPYXUSIIOIPH-UHFFFAOYSA-N	319.712	1.573	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCCO1)c1ccccc1OCC(=O)O	1602987174	HSZCIXYIWQHWEB-CQSZACIVSA-N	320.345	1.559	50	20	DDGD	
CCN1CC[C@@H]1CNC(=O)NNc1ccc(C(=O)O)c(F)c1	1605473974	CLPIDEXAOKKTCT-SNVBAGLBSA-N	310.329	1.244	50	20	DDGD	
O=C(O)CC1(CC(=O)NNc2ncc(Cl)cn2)CCCC1	1601913417	GUIGLPYLCUVCPA-UHFFFAOYSA-N	312.757	1.998	50	20	DDGD	
C[C@H](Cc1cnc[nH]1)C(=O)NNc1ccc(CC(=O)O)cc1	1604241019	OZAFHOBGTRDWQP-SNVBAGLBSA-N	302.334	1.359	50	20	DDGD	
CN(C)N(C(=O)C[C@H]1CCCO1)c1nc(CC(=O)O)cs1	1606037851	YTLQUIPHSVQABQ-SNVBAGLBSA-N	313.379	1.149	50	20	DDGD	
O=C(Cc1ccc(C(=O)O)cc1)NNC(=O)CC(F)(F)F	1608358962	APJRIETXEOYLII-UHFFFAOYSA-N	304.224	1.027	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2CCc3nccn3C2)c(F)c1	1602385440	VRWIKLOQUXXIBW-JTQLQIEISA-N	318.308	1.426	50	20	DDGD	
COc1ccc(NNC(=O)c2cccc(-c3nn[nH]n3)n2)cc1	1609358427	YLAFWJYGARFWBA-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
C[C@@H]1CC[C@@H](NC(=O)NNc2ccc(-c3nn[nH]n3)cn2)C1	1603881750	TXEYRSQKILBAAS-PSASIEDQSA-N	302.342	1.076	50	20	DDGD	
C[C@@H](CNC(=O)NNc1cccc(C(=O)O)c1)Cn1cccn1	1604179130	UDYVXVYSGZZUIT-NSHDSACASA-N	317.349	1.544	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)C1CC=CC1	1609558971	XXHBBGCTRWHREF-UHFFFAOYSA-N	304.741	1.929	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2ccc(C(=O)O)[nH]2)c1	1610626685	YVMIEZYXLMNLCR-UHFFFAOYSA-N	305.681	1.390	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)cc(Cl)n1	1549318628	CSVQYZVMSFJVBV-CHWSQXEVSA-N	322.796	1.357	50	20	DDGD	
COc1ccc(Cl)c(NNC(=O)[C@H]2CN3CCN2C[C@H]3C)c1	1548673056	YTALYWWNHJYFQU-QMTHXVAHSA-N	324.812	1.180	50	20	DDGD	
C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](F)Cl)CC2	1825015882	OOTNDQQHCARPMY-LDWIPMOCSA-N	315.757	1.223	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)C2CCNCC2)CCc2ccccc21	1576349173	ANNWIINQLVEFHK-QGZVFWFLSA-N	301.390	1.038	50	20	DDGD	
C[C@@H]1CNC[C@H]1CC(=O)NNC(=O)c1cccc2ccccc12	1579450755	HFPBICNHUPKCKQ-TZMCWYRMSA-N	311.385	1.846	50	20	DDGD	
CC1(C)CCN[C@@H]1C(=O)NNC(=O)NCCc1cccs1	1576442567	AGYGSHMUXOMZCP-LLVKDONJSA-N	310.423	1.009	50	20	DDGD	
CC(=NNC(=O)[C@@]1(C)CCCO1)c1cccc(-c2nn[nH]n2)c1	1588773337	XACNZIKICRSKPE-OAHLLOKOSA-N	314.349	1.276	50	20	DDGD	
CC(C)(C#N)C(=O)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846386386	GSTXVEOBRIRVOQ-UHFFFAOYSA-N	318.204	1.543	50	20	DDGD	
CC[C@H](C)[C@H](N)C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1842892026	SSDZEFUBXHYJEJ-DCAQKATOSA-N	319.808	1.098	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@H](C(=O)O)C1CCCC1	1594710863	BEHVEVUWISWSHX-CQSZACIVSA-N	322.336	1.407	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)C2(F)CCC2)C1	1846750695	ZAZZVXITXJLHMB-SECBINFHSA-N	306.740	1.616	50	20	DDGD	
O=C(O)CCc1ccc(C=NNC(=O)Cc2ccccn2)o1	1776043248	BFGGXSJUWVMKSP-UHFFFAOYSA-N	301.302	1.385	50	20	DDGD	
CC(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Cl)C[C@@H]21	1786352234	DPOLDPNWBWUSHE-BJDJZHNGSA-N	320.792	1.157	50	20	DDGD	
O=C(NCCC1CCC1)NNC(=O)c1cccc([N+](=O)[O-])c1	151957658	OJNZQXHEHZPZPR-UHFFFAOYSA-N	306.322	1.729	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2C[C@H]3CCC[C@H]3C2)cc1	153046414	AZOGADCGZJPPJX-GASCZTMLSA-N	301.390	1.488	50	20	DDGD	
CCc1nn(C)c(Cl)c1C(=O)NNC(=O)CC1CCCC1	155274011	NCIWHSUEQIRCII-UHFFFAOYSA-N	312.801	1.977	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccc(C(N)=O)nn1)C1CCCCC1	154398492	UCGPYEVBUXXDOW-JTQLQIEISA-N	305.382	1.625	50	20	DDGD	
O=C1COc2cc(C(=O)NNc3ccncc3Cl)ccc2N1	154744034	KYUJOLZWZZMNGN-UHFFFAOYSA-N	318.720	1.823	50	20	DDGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CCC(CO)CC1	36900529	IYDVDEPVNBQKDX-UHFFFAOYSA-N	317.838	1.861	50	20	DDGD	
CC1(C)CCN(S(=O)(=O)CCCCCl)CC[S@]1=O	321834801	GJEORQCEGZUVAB-QGZVFWFLSA-N	315.888	1.568	50	20	DDGD	
CNC(=O)C[C@H](C)NS(=O)(=O)c1ccc(CCl)cc1	322764956	GZNCHOSSDLKWSM-VIFPVBQESA-N	304.799	1.228	50	20	DDGD	
Cc1ccc(C(=O)NNC(=S)NC[C@@H]2CCCO2)c(C)c1	7527555	RLIGXUWPHPYFFV-LBPRGKRZSA-N	307.419	1.591	50	20	DDGD	
O=C(CNC(=O)NNc1ncccn1)Nc1ccc(Cl)cc1	54649630	NJTZYIXAWPKRBC-UHFFFAOYSA-N	320.740	1.395	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2ccccc2C(F)(F)F)CC1	106012217	UWKFTRWZKWLYRS-UHFFFAOYSA-N	301.268	1.675	50	20	DDGD	
CCCCCCNC(=O)NNC(=O)COc1ccccc1C#N	55068329	YOOVYHFWYJUZMF-UHFFFAOYSA-N	318.377	1.848	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cc(C(C)=O)cn1C	109144792	XSFDBZHNILLPFB-UHFFFAOYSA-N	315.329	1.311	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1cnn(CCCl)c1	57737985	FVOHYOVJDQZEKE-JYRVWZFOSA-N	310.785	1.572	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCC2(C)OCCO2)cc1	179579258	CZDGJFCPJYYYPI-GXDHUFHOSA-N	316.357	1.871	50	20	DDGD	
COc1ccccc1CCC(=O)NNC(=O)c1ccccc1O	69665181	CUIIOJATYSODBT-UHFFFAOYSA-N	314.341	1.795	50	20	DDGD	
Cc1nc(CN2CCN(S(=O)(=O)CCl)CC2)cs1	111001514	OGGIYLPROCCPDC-UHFFFAOYSA-N	309.844	1.095	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cn(CCC(C)C)nn2)n1	174471797	HDXKLZSBXOAORW-UHFFFAOYSA-N	319.369	1.188	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(-c2ccccc2)nn1)n1cncn1	176232034	AJJLIGLIVVCWSW-NSHDSACASA-N	309.333	1.439	50	20	DDGD	
C=CCN(CC(=O)NNC(=O)C1CC1)Cc1ccc(OC)cc1	112977420	DVSSDRMFYWWTJD-UHFFFAOYSA-N	317.389	1.241	50	20	DDGD	
O=C(CN1CCC[C@H]1CCc1ccccc1)NNC(=O)C1CC1	112977274	XMSAROGVHHRJOG-INIZCTEOSA-N	315.417	1.641	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)C(C)(C)C)NC(=O)C1CCCCC1	171379601	ZUAZTMLHXMFGBC-NSHDSACASA-N	311.426	1.655	50	20	DDGD	
COc1ccc(CCCCCC(=O)NNC(=O)CN(C)C)cc1	113424073	MXSQRVJOHOBKKJ-UHFFFAOYSA-N	321.421	1.507	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(C#N)cc2)ccc1[N+](=O)[O-]	61474832	ZUHIRHQKKNYKHB-UHFFFAOYSA-N	324.296	1.850	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)o1	175001394	MCZDLINFSVNXNR-STQMWFEESA-N	323.393	1.157	50	20	DDGD	
O=C(CCC(=O)c1ccc(Cl)cc1)NNC(=O)NC1CC1	64427654	ZCOZZKYHRQZZTJ-UHFFFAOYSA-N	309.753	1.796	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)c1cccc(OC(F)F)c1	124751256	GUHZPJKDTHCJHL-VIFPVBQESA-N	316.304	1.864	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc(N2CCCC2)nc1	171349027	BMFCNNOBPXOLDM-UHFFFAOYSA-N	306.366	1.851	50	20	DDGD	
CCc1c[nH]c(SCC(=O)NNC(=O)c2ccccc2)n1	129089097	WLOYIDOPMDDAGC-UHFFFAOYSA-N	304.375	1.525	50	20	DDGD	
CC(=O)NNC(=O)COc1ccc(OCc2ccccc2)cc1	36759030	BWVRRHBQFCHBDP-UHFFFAOYSA-N	314.341	1.812	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(Cl)cc1-n1cccn1	189937226	SXDSNWUSYWBGGD-UHFFFAOYSA-N	309.713	1.918	50	20	DDGD	
COc1ccc(C)cc1CCNC(=O)NNc1cccnn1	77547032	FYXDPBHJDOAWEC-UHFFFAOYSA-N	301.350	1.662	50	20	DDGD	
O=S(=O)(CBr)N1CC[C@H](CN2CCCC2)C1	368482267	LZTFTBPKRMOOQP-SNVBAGLBSA-N	311.245	1.086	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc3c(c2)CCC3)nn1	123595869	UAGYNVLEXZIQLR-UHFFFAOYSA-N	311.345	1.356	50	20	DDGD	
CC[C@H](C)[C@H](C)NC(=O)NNC(=O)COCc1ccccc1	124555760	RGRULNRRBUPKOU-STQMWFEESA-N	307.394	1.968	50	20	DDGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)C(=O)NC1CC1	126233982	FDCQTDABHGOFCL-UHFFFAOYSA-N	306.124	1.854	50	20	DDGD	
CN(CC(=O)NNC(=O)CCc1ccccc1)[C@H]1CCSC1	129491666	WLJCHEXDLYXOPE-AWEZNQCLSA-N	321.446	1.204	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cccc(Cl)c1	77163727	ZRGYKMCLCJLRRZ-UHFFFAOYSA-N	311.769	1.406	50	20	DDGD	
C#Cc1cccc(NC(=O)C(=O)NNc2cccc(OC)n2)c1	181515453	GURQDMHHSDOMMO-UHFFFAOYSA-N	310.313	1.153	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNc2nc(C)cc(C)n2)cc1O	183351769	DDDKIUMYXFOYOH-FNORWQNLSA-N	314.345	1.964	50	20	DDGD	
O=C(Cn1c(=O)oc2ccccc21)NNc1ccnc(F)c1	182530898	LAKXZQWCMGWVKO-UHFFFAOYSA-N	302.265	1.272	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1C[C@H]2CCCC[C@H]2C1	78322859	OLYSKXHNJCXPNU-OKILXGFUSA-N	302.378	1.487	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)C(=O)Nc2ccc(F)nc2)c1	131910766	UOLQGXJXUZGZAQ-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
CCOc1ccccc1NC(=O)NNC(=O)Cc1cccnc1	182829571	GGLZZZRUXGCLSF-UHFFFAOYSA-N	314.345	1.876	50	20	DDGD	
CCC[C@@H]1C[C@@H](C(=O)NNC(=O)c2ccc(C#N)cc2)CCO1	183647887	QRSZTASBEZLZAK-LSDHHAIUSA-N	315.373	1.915	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)C[C@@H]1CCCCO1	87317035	YAMYMSQVZLEVDU-AWEZNQCLSA-N	306.362	1.310	50	20	DDGD	
O=C(NC[C@@H]1CCCCO1)NNC(=O)c1ccc(Cl)cc1	139785621	OHDZWFZGYWRGMU-LBPRGKRZSA-N	311.769	1.853	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCN2CCC[C@H](C)C2)n1	46382238	PLWDJMCZSDVKAC-NSHDSACASA-N	306.414	1.451	50	20	DDGD	
C[C@H]1CC[C@H](C)N1[C@@H](C)C(=O)NNc1nc2ccccn2n1	191891336	XYUALEXQBLJAIR-SRVKXCTJSA-N	302.382	1.434	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)NC[C@H]2C[C@H]2C)cc1	47099119	CUZJZMBYFFKFKM-GHMZBOCLSA-N	307.350	1.060	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NNC(C)=O)c2ccccc12	194019314	HWLZUUUJMDSFJV-UHFFFAOYSA-N	308.359	1.568	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1C1CCCC1)c1cccnc1	269574560	BZDMJOCZDPMKMZ-AWEZNQCLSA-N	302.378	1.250	50	20	DDGD	
CCOC(=O)N1[C@H](c2ccc(C)o2)CC[C@@H]1C(=O)NNC(C)=O	265489591	AWYIYQKEYMNPRR-NWDGAFQWSA-N	323.349	1.417	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)C(=O)C(C)(C)C)o1	266192063	WYTPXIXNIQQEAJ-UHFFFAOYSA-N	323.393	1.498	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1	275351305	ZXNLVJSXNYPUDQ-UHFFFAOYSA-N	322.365	1.884	50	20	DDGD	
CC(C)c1[nH]ncc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C(C)(C)C	279113883	UTLILPTYZCWLLF-GWCFXTLKSA-N	322.409	1.745	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H]2CCCN2C2CC2)cc1	278490981	HEIXLRBHDMPIAO-OAHLLOKOSA-N	316.405	1.181	50	20	DDGD	
COC1(C(=O)NNC(=O)COc2ccccc2O)CCCCC1	274692962	MPSDCHKTAUGBDR-UHFFFAOYSA-N	322.361	1.268	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCOC2(CCC2)C1	270891520	YDWNROLTEUEJMM-UHFFFAOYSA-N	319.361	1.305	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc(OC2CCCC2)nc1	274803265	RVSVBCLUDLWBLD-UHFFFAOYSA-N	321.381	1.117	50	20	DDGD	
COC(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1	276759179	HMTZPFBHBUUDLN-MRVPVSSYSA-N	311.725	1.080	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnn(Cc2ccccc2)c1C	272668261	JSZBFIXDGFIGBF-UHFFFAOYSA-N	315.377	1.546	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H]1CC12CCOCC2	378007534	PZOCXLJPSINZFZ-GFCCVEGCSA-N	304.346	1.273	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H](NC(=O)c1ccco1)C(C)C	276712595	KJYAGUAXYXFSBB-ZDUSSCGKSA-N	316.361	1.881	50	20	DDGD	
COc1ccc(NC(C)=O)cc1NC(=O)NNC(=O)C(C)(C)C	271352322	HRBCTAYBNMPCJS-UHFFFAOYSA-N	322.365	1.852	50	20	DDGD	
CCC1(CNC(=O)NNc2ccc(OC)cn2)CCOCC1	278805220	YSKQLQPMMPPSNE-UHFFFAOYSA-N	308.382	1.923	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1cc(F)c(C)cc1F	274393529	WBVDWUFPLJJGJE-UHFFFAOYSA-N	307.322	1.128	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(C#N)c(Cl)c1)N1CCOCC1	283744449	HMHMVMNDTHHQFK-UHFFFAOYSA-N	322.796	1.766	50	20	DDGD	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)c1c[nH]c2ccccc12	285003055	IEAPBPZFDXGUTL-WDEREUQCSA-N	315.329	1.128	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NNc1ccc(-n2ccnc2)nn1	286449198	AAIPRADLVYTYPZ-QWRGUYRKSA-N	314.349	1.111	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cc([C@@H]2CCCOC2)nn1C	280208262	QANCNVBUSPIPJZ-GHMZBOCLSA-N	323.397	1.513	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1cccc(C(F)(F)F)c1	288827466	CASMUMQODYPGOA-UHFFFAOYSA-N	312.269	1.597	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@@H]1[C@@H]1CCCO1)c1ccccc1	284193120	YIGDBINNEHZABA-KGLIPLIRSA-N	303.362	1.684	50	20	DDGD	
Cc1ccc(C)c(OCCC(=O)NNC(=O)[C@H]2CCCCO2)c1	295828046	YUSUWZYIWQRZFP-CQSZACIVSA-N	320.389	1.789	50	20	DDGD	
Cc1cc(C(=O)NNc2cccc(F)n2)n2nc(C)cc2n1	804767799	VTMCSIKFZVWSNM-UHFFFAOYSA-N	300.297	1.637	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2ccc(C#N)cc2)CCC1(F)F	290883699	SPAPFUUZTKCVLQ-SNVBAGLBSA-N	322.315	1.890	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)c1ccncc1	297363373	UMXSAPOQNIVKAS-UHTWSYAYSA-N	306.366	1.431	50	20	DDGD	
CN(NC(=O)c1cn(-c2ccccc2)nn1)C(=O)OC(C)(C)C	297637666	LNYZRUJZUXSGKK-UHFFFAOYSA-N	317.349	1.779	50	20	DDGD	
CCCN(CCN1CCCCCC1)CC(=O)NNC(=O)C1CC1	808781410	DZJCGMQLXYUXBZ-UHFFFAOYSA-N	324.469	1.132	50	20	DDGD	
Cc1cnc(OC(C)C)c(NC(=O)NNC(=O)c2ccc[nH]2)c1	297028822	MVDOJIDKDOEXJD-UHFFFAOYSA-N	317.349	1.972	50	20	DDGD	
CC(=O)c1cccc(NC(=O)NNC(=O)[C@H]2CCCCO2)c1	296077268	DASDYVVFXFXNJW-CYBMUJFWSA-N	305.334	1.611	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2c(F)ccc(O)c2F)n1	809800374	BQUBVVMYGNZBBZ-UHFFFAOYSA-N	307.256	1.449	50	20	DDGD	
CC1(C)C[C@@H]1NC(=O)NNC(=O)COc1ccccc1C#N	299095676	VTARUAJBBPSMSK-LBPRGKRZSA-N	302.334	1.066	50	20	DDGD	
Cn1ncc2c1C[C@@H](C(=O)NNc1cccc(Cl)n1)CC2	293712781	OLLGDQXFAMUNFB-VIFPVBQESA-N	305.769	1.717	50	20	DDGD	
CC(=NNC(=O)Cc1cccnc1)c1cccc(-n2ccnn2)c1	807970423	JFHIIRBVJIINHN-UHFFFAOYSA-N	320.356	1.745	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ccncn1)N1C[C@@H](C)O[C@H](C)C1	295554875	UHGCBQKOKRUCHD-YRGRVCCFSA-N	307.398	1.054	50	20	DDGD	
CN1CCOc2ccc(C(=O)NNC(=O)C3CCCC3)cc21	806443130	MNFDHGZAZNGMOJ-UHFFFAOYSA-N	303.362	1.466	50	20	DDGD	
COC1(CC(=O)NNC(=O)Nc2ccc3c(c2)OCO3)CCC1	802096626	YAXUHBNVMKYZEP-UHFFFAOYSA-N	321.333	1.527	50	20	DDGD	
CSC1(CNC(=O)NNc2ncccc2C)CCN(C)CC1	811941245	AILLBIQGKMDNDJ-UHFFFAOYSA-N	323.466	1.844	50	20	DDGD	
C[C@@H]1C(=NNC(=O)C[N+](C)(C)C)CCN1Cc1ccccc1	811629767	FPGNISKDEQSIPP-CQSZACIVSA-O	303.430	1.459	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H]1CCc2cnc(C)n2C1	816829233	GYKBVSYZHDFAOS-CYBMUJFWSA-N	312.373	1.524	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)[C@H]1CCCSC1	810339924	SVYVYKXMLYLXHZ-JTQLQIEISA-N	305.363	1.718	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1cc(-c2ccc(Cl)cc2)on1	816633361	ZSIKERSWKOBWRL-UHFFFAOYSA-N	304.697	1.870	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1nc2c(s1)CCC2	814762443	AIWMZYBYBIOSDP-LLVKDONJSA-N	322.434	1.050	50	20	DDGD	
CC(C)C(=O)NNC(=O)NC[C@H]1CCN(c2ccccc2F)C1	812922484	KDQHBQFAMQRKNN-GFCCVEGCSA-N	322.384	1.638	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1F)c1ccc(N)nc1	814723095	WAIPSPKIAVXGHG-UHFFFAOYSA-N	302.309	1.722	50	20	DDGD	
Cc1csc(CC(=O)NN=C2CC[C@@H](C(=O)O)C[C@H]2C)n1	814779849	SOPAHCJEDPWCMJ-PSASIEDQSA-N	309.391	1.987	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)c1cc2c(s1)CCC2	812452200	DRTOYAQZVHRTOY-NXEZZACHSA-N	310.419	1.916	50	20	DDGD	
CN(NC(=O)C(=O)c1ccc(Br)s1)C1CC1	819653761	PZJJJZICAUQUKJ-UHFFFAOYSA-N	303.181	1.819	50	20	DDGD	
CN1CCC(CC(=O)NNC(=O)CCc2ccccc2)CC1	813432392	KNVMROSKYDCSKS-UHFFFAOYSA-N	303.406	1.499	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C(C)c2csc(N)n2)c1	812415146	XVQUXMFTXDMUOX-UHFFFAOYSA-N	320.374	1.897	50	20	DDGD	
COCCC(Cc1cccc(F)c1)=NNC(=O)C(=O)NC(C)C	729143644	PMRIRHPDRFDJMO-UHFFFAOYSA-N	323.368	1.402	50	20	DDGD	
CCN1CCC[C@@H]1CNC(=S)NNC(=O)CC(C)(C)C	728445886	MAVNTCGRWTXMHT-LLVKDONJSA-N	300.472	1.402	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)c1	822200637	UDKSUHNVBQQEEX-ZIBATOQPSA-N	318.373	1.901	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)[C@H]2CCCCO2)c(C)c1	820935648	CFMOOJKCXLYPGV-CQSZACIVSA-N	306.362	1.263	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1ccc(OC)c(F)c1C	494989308	CSNYWNHHHNNLTE-UHFFFAOYSA-N	306.315	1.082	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCCOC(C)=O)cc1	490972811	KUSSYOOTZBUVFY-GXDHUFHOSA-N	302.330	1.672	50	20	DDGD	
CCc1csc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)n1	496198932	HXFJQSITLJDXMX-UHFFFAOYSA-N	314.367	1.200	50	20	DDGD	
Cc1noc2nc(C3CC3)cc(C(=O)NN(C)[C@H](C)CO)c12	823982816	DWJAPCNSBLSMIW-MRVPVSSYSA-N	304.350	1.366	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc3ccccc23)CO1	826070465	XDCUDMRBUXHDKB-WCQYABFASA-N	313.357	1.961	50	20	DDGD	
CN(C)CC1(C(=O)NNc2ccc(C(F)(F)F)cn2)CC1	822056660	YKXUATAELVMMKM-UHFFFAOYSA-N	302.300	1.885	50	20	DDGD	
CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1ccc(Cl)cc1	728436602	RJQFEVMHBOXKEL-VIFPVBQESA-N	317.798	1.118	50	20	DDGD	
COc1ccc(NNC(=O)CSCC(=O)O)cc1Cl	820846049	ORKSYVYIZCSDJN-UHFFFAOYSA-N	304.755	1.610	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cnn2c1CCCC2	826447631	OOBQQUXSIZRRNW-UHFFFAOYSA-N	324.348	1.156	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNc2ccc(-c3ccccc3)nn2)CCN1C	826782521	GJXPEOCCJHHRGP-TZMCWYRMSA-N	311.389	1.927	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC[C@@H](c2ccco2)C1	827299215	MOAXBZCZKLTKTD-QJPTWQEYSA-N	307.350	1.235	50	20	DDGD	
Cc1ncsc1C=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	822481628	ACBLIQKPCWFIOF-UHFFFAOYSA-N	313.346	1.396	50	20	DDGD	
CN(C)[C@@H](CNC(=O)/C(C#N)=C\c1cnn(C)c1)c1ccccc1	491049556	NDEMFEDWVADBQR-STKCSNAVSA-N	323.400	1.746	50	20	DDGD	
Cc1c(NC(=O)NN(C)C2CC2)nnn1Cc1ccccc1F	824331490	KMKDKDZEBBCVKG-UHFFFAOYSA-N	318.356	1.905	50	20	DDGD	
Cn1nccc1C(=O)NNC(=O)c1cccc(OC(F)F)c1	728487341	QVXRHAXCTXWYAR-UHFFFAOYSA-N	310.260	1.096	50	20	DDGD	
COc1ccn2c(C(=O)NNC(=O)OC(C)(C)C)cnc2c1	497132964	PRWIXTHTGHYEBJ-UHFFFAOYSA-N	306.322	1.512	50	20	DDGD	
CC(C)COc1cccc(OCC(=O)NN(C)[C@H](C)CO)c1	823946029	CTZCWWOCYIAFQL-CYBMUJFWSA-N	310.394	1.444	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC12CCSCC2)c1ccccc1O	823861173	XZJHVSQGSUXKPR-NSHDSACASA-N	306.387	1.687	50	20	DDGD	
N#C/C(=C/c1cc(-c2nn[nH]n2)cs1)C(=O)N1CCCC1	822795780	GWYSFDCUIHMXRX-UITAMQMPSA-N	300.347	1.458	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1cnnc2ccccc12	491540564	XMGVYBDLMJFBOW-UHFFFAOYSA-N	303.322	1.209	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNC(=O)c2ccc(C)o2)cc1O	492678742	OCWXYPZSNXPWAV-YVMONPNESA-N	316.313	1.777	50	20	DDGD	
COc1ccc([C@H](C)[C@H](C)NCc2ccc(B(O)O)o2)cc1	585026082	IICWUDFJTRTTHV-NEPJUHHUSA-N	303.167	1.250	50	20	DDGD	
COC(=O)c1cc(/C=C(/C#N)C(=O)Nc2ccn(C)n2)cn1C	491176738	RMJFEFQPHAOZAU-WDZFZDKYSA-N	313.317	1.091	50	20	DDGD	
O=C(C[C@H](c1ccccc1)C(F)(F)F)N1CC[C@@H](B(O)O)C1	585066806	PUAVWABEWBYFQR-VXGBXAGGSA-N	315.100	1.798	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C	495693072	LQBLLUDCDCIPAR-IUCAKERBSA-N	303.359	1.265	50	20	DDGD	
C[C@H]1CCCC[C@@H]1CCNC(=O)NNC(=O)c1cnn(C)c1	735515194	KSOIPGMAEBJCKW-NWDGAFQWSA-N	307.398	1.581	50	20	DDGD	
C#CCCCC(=O)NN=Cc1ccc(OC(C)=O)c(OC)c1	901321781	XSQALKUTNDIZSA-UHFFFAOYSA-N	302.330	1.874	50	20	DDGD	
C[C@H]1c2ccsc2CCN1C(=O)c1cccc(B(O)O)c1	584925874	RMEZHYUFYDDLSP-JTQLQIEISA-N	301.176	1.187	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NNC(=O)C1CC1	496118291	ADUZPHSHWUNUTE-JTQLQIEISA-N	313.398	1.579	50	20	DDGD	
COc1cc(CC(=O)NNc2nccnc2C(C)C)ccc1O	830609555	IPOMNTZAHQALFC-UHFFFAOYSA-N	316.361	2.000	50	20	DDGD	
COc1ccc([C@H](NCc2ccc(B(O)O)cc2)C2CC2)cn1	585048522	AAFWFVRAPOOBNM-QGZVFWFLSA-N	312.178	1.011	50	20	DDGD	
CC[C@H]1CCC[C@H]1C(=O)OCC(=O)NNC(=O)c1cccs1	837844839	DPALFRVGRRWMMC-WDEREUQCSA-N	324.402	1.879	50	20	DDGD	
Cn1ccc(C(=O)NNc2ccc(Br)nc2)cc1=O	732837718	SOQPYNOJJDAAKU-UHFFFAOYSA-N	323.150	1.300	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCc1nc(C(=O)O)co1	909887116	LDLZMZMNMTWUGN-MRVPVSSYSA-N	319.155	1.799	50	20	DDGD	
O=C(NCC1Cc2ccccc2C1)NNC(=O)C1CCCC1	735387509	YQFZHIQUXAERLP-UHFFFAOYSA-N	301.390	1.922	50	20	DDGD	
OB(O)c1ccccc1CNCCc1ccccc1OC(F)F	585036221	CQZWFIZUIFSCAD-UHFFFAOYSA-N	321.132	1.300	50	20	DDGD	
O=C(NCC(Cl)Cl)C1CCC(N2CCOCC2)CC1	908187119	NOPBZOHMKOGKRT-UHFFFAOYSA-N	309.237	1.797	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)N[C@@H]1CC12CCOCC2	836611025	LLNGDULBDZWLKD-CYBMUJFWSA-N	321.352	1.268	50	20	DDGD	
COCCN(Cc1ccc(C#N)cc1)S(=O)(=O)CCl	830278321	IZBDFZUNBWHISR-UHFFFAOYSA-N	302.783	1.533	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H](C)c2cnn(C)c2)cc1F	837049859	AVUKDDHMBOVHBK-VIFPVBQESA-N	320.324	1.593	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@H]1CCCc2nn[nH]c21	834736118	GWOFWECMDCFAGO-ZETCQYMHSA-N	320.284	1.415	50	20	DDGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CC[C@](F)(C(=O)O)C1	833061358	AJTBDQKGNQBHME-NQADCFBISA-N	305.265	1.958	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C)c2c1CCC2	838100908	MGZFJIMOIYJBEB-LLVKDONJSA-N	318.373	1.586	50	20	DDGD	
CCCN1C[C@H](C(=O)NNC(=O)CCc2ccccc2)CC1=O	839618086	GDQUTPMKUFTZCK-CQSZACIVSA-N	317.389	1.025	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2cnc3ccc(Cl)cn23)cn1	737434567	SNFWMALOBQCUBI-UHFFFAOYSA-N	302.725	1.485	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(OC)nc2ccccc12	831853548	CMLKPZXFIPFDGR-UHFFFAOYSA-N	302.334	1.550	50	20	DDGD	
C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cccc(B(O)O)c1	584954793	LGHXIURFVVKGQW-HOCLYGCPSA-N	323.201	1.460	50	20	DDGD	
COc1cccc(COCC(=O)NNC(=O)CC(F)(F)F)c1	918367081	LKTPRTQRJWREKS-UHFFFAOYSA-N	320.267	1.312	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2)c1cc2c(s1)CCC2	837310888	OQPVCBHYSGGHRY-GDPRMGEGSA-N	318.398	1.613	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cn2ccnc2)c1)c1ccncc1	916093666	KXSVCLHIPUADRY-UHFFFAOYSA-N	321.340	1.401	50	20	DDGD	
COC[C@@H](C)CNC(=O)NNC(=O)Nc1ccc(OC)cc1	836279120	NHOJTMOYPPBKSV-JTQLQIEISA-N	310.354	1.313	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NOCC(C)C)cc1OC	749772977	UEUPDIMFRORBMR-UHFFFAOYSA-N	311.338	1.235	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNC(=O)Nc1ccc2c(c1)OCO2	742026287	MVRZOZHLFNNMEO-VQHVLOKHSA-N	318.289	1.012	50	20	DDGD	
CCCN(CC(=O)NNC(=O)Cc1nc(C)cs1)C(C)C	847031508	HUKMXXYMNYSJSE-UHFFFAOYSA-N	312.439	1.262	50	20	DDGD	
NC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)Cc1ccccc1F	841947719	HEENVGYKCZAOLW-JSGCOSHPSA-N	322.384	1.216	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=S)NCC(C)C)cc1	916112896	XDHOHTAQYISOLZ-UHFFFAOYSA-N	310.423	1.258	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccc(C(F)(F)F)cc1	744812605	OHNHJSMRVVRKGA-UHFFFAOYSA-N	301.268	1.680	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C[C@@]1(C)CC1(Cl)Cl	843658909	HDPMKBXSGDWZPR-LAEOZQHASA-N	309.193	1.533	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2CCO[C@H]2C)cc1F	843278209	YMEPUJNUBGJVBS-GXSJLCMTSA-N	311.382	1.877	50	20	DDGD	
CC(C)O[C@@]1(C(=O)NN=C2CCCN3CCCC[C@H]23)CCOC1	848412974	GXWRHNOCTDZFIA-WBVHZDCISA-N	323.437	1.691	50	20	DDGD	
CCCC[C@H](CN)NC(=O)NNc1ncnc2ccsc12	841957453	KDTNARGEIWYZQJ-SECBINFHSA-N	308.411	1.835	50	20	DDGD	
O=C(CNc1ccccc1F)NN=Cc1ccc(O)c(O)c1O	915919029	HOFGTRIHCKPXIY-UHFFFAOYSA-N	319.292	1.505	50	20	DDGD	
Cc1nc(O)nc(O)c1CCC(=O)NNc1ccc(C#N)cc1	748125937	CSUNEZYWWJVTLM-UHFFFAOYSA-N	313.317	1.144	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)NCCNC(=O)C1CC1	913899011	ZEGHRKBHTQCDGF-UHFFFAOYSA-N	310.785	1.801	50	20	DDGD	
O=C(NCCCCn1ccnc1)NNc1ccc(Cl)nn1	918139155	PELLCCXIGHMBQD-UHFFFAOYSA-N	309.761	1.433	50	20	DDGD	
COCCOCC(C)=NNC(=O)COc1ccccc1OC	741161316	OTDXFBRABGNAJL-UHFFFAOYSA-N	310.350	1.229	50	20	DDGD	
NC(=O)c1ccc(C=NNC(=O)COc2ccccc2F)cc1	915944105	NQHZRFHWFLRYNP-UHFFFAOYSA-N	315.304	1.454	50	20	DDGD	
CC[C@@H](C)CONC(=O)NNc1ncc(Br)cn1	847376339	UVIWVXOPSCIMAK-SSDOTTSWSA-N	318.175	1.843	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CCC[C@@H](N)C2)c1F	841980875	IXBRWVKYAYEOHF-ZJUUUORDSA-N	324.356	1.508	50	20	DDGD	
CC[C@H](NC(=S)NNC(=O)c1cc[nH]n1)c1cccs1	849277144	WCCLWOMYBULBOK-QMMMGPOBSA-N	309.420	1.731	50	20	DDGD	
COCC(=NNC(=O)Cn1nnc(-c2ccccc2)n1)C(C)C	741453790	VSPNHOGHXIGTFK-UHFFFAOYSA-N	316.365	1.115	50	20	DDGD	
CC(C)[C@H]1C[C@@H](CC(=O)NNC(=O)c2ncccn2)CCO1	841350950	WLZLNAFVYSLWLK-NWDGAFQWSA-N	306.366	1.079	50	20	DDGD	
CCOC[C@H]1CN(S(=O)(=O)CC(C)(C)CCl)CCO1	867561303	FUYFMBYXSSBCNQ-LLVKDONJSA-N	313.847	1.319	50	20	DDGD	
Cc1nn(C(C)C)cc1C(=O)NNC(=O)NCC(F)(F)F	848033284	ULWWIEQPPIQBCE-UHFFFAOYSA-N	307.276	1.279	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@@H]1CCCN1C(=O)C1CC1	846638880	GXTVWRGYYLCDSQ-ZDUSSCGKSA-N	321.352	1.678	50	20	DDGD	
O=C(NNC(=S)N[C@H]1CCc2ccccc2C1)c1ccc[nH]1	742980215	PUGBVOWBUBCQHU-ZDUSSCGKSA-N	314.414	1.681	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@@H]1CC[C@H]2CNC[C@@H]2C1	842014057	CEGUVOMSBFMIRU-LPEHRKFASA-N	310.789	1.144	50	20	DDGD	
O=C(O)CCCCCNC(=O)NNc1nc2ccccn2n1	840992317	XZWINGULLWWUBF-UHFFFAOYSA-N	306.326	1.000	50	20	DDGD	
CC(C[C@@H]1CCCC(=O)N1)=NNC(=O)COc1ccccc1O	841639939	FQNYABIQTJIEAF-LBPRGKRZSA-N	319.361	1.322	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	841003880	GXMURQTUFAKOEY-KGLIPLIRSA-N	322.361	1.035	50	20	DDGD	
Cc1cccc(OC(F)F)c1NC(=O)NNC(=O)CCCN	841103770	JQUBABKNIJOBJT-UHFFFAOYSA-N	316.308	1.488	50	20	DDGD	
CCN(CC)c1ncc(C=NNC(=O)[C@H]2CCO[C@@H]2C)s1	842552610	BMQOHINUWZPDBG-PWSUYJOCSA-N	310.423	1.864	50	20	DDGD	
C[C@@H](Sc1nncn1C)C(=O)NNc1ccc(Cl)cn1	856095678	RZCNZZSLSRQQAC-SSDOTTSWSA-N	312.786	1.487	50	20	DDGD	
Cc1ccc2c(c1)CN(C(=O)NNC(=O)[C@H]1CCO[C@H]1C)CC2	852394508	TWERDMJEQZVIJM-WFASDCNBSA-N	317.389	1.519	50	20	DDGD	
CN(C[C@H]1COCCO1)C(=O)[C@H](Br)C(C)(C)C	855681189	HBKRPTXNORGZTE-UWVGGRQHSA-N	308.216	1.670	50	20	DDGD	
CCn1nncc1C(=O)OC[C@H](CBr)C1CC1	859706913	YYXOVASRORKKPI-VIFPVBQESA-N	302.172	1.876	50	20	DDGD	
C#CCSCCNC(=O)NC[C@@]1(C)C[C@H]1Br	856836473	OGTIPYPJCCIRDY-MWLCHTKSSA-N	305.241	1.826	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N(C)[C@H](C)c2nc(C)no2)c1	858707009	GYQQTVDYXZTUFZ-MRVPVSSYSA-N	323.378	1.795	50	20	DDGD	
O=C(NCC1CCN(CC2CC2)CC1)NNc1ccncn1	852704878	HVRSKHMALYJHMU-UHFFFAOYSA-N	304.398	1.225	50	20	DDGD	
CCSCC[C@@H](C)NC(=O)NNC(=O)c1cccc(F)n1	852158173	BZEDSJYWBSQNGU-SECBINFHSA-N	314.386	1.696	50	20	DDGD	
CO[C@@H]1CCCN(C(=O)NC[C@@]2(C)C[C@H]2Br)C1	856904149	XXDAVBGFSYXOPE-CKYFFXLPSA-N	305.216	1.980	50	20	DDGD	
C[S@](=O)C1(CNC(=O)NNc2cc(F)ccc2F)CCC1	922333021	WPPNUWOKKQYDEG-NRFANRHFSA-N	317.361	1.892	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=S)NCCc2cccs2)o1	753015373	MGRPUPUWKJWYDJ-UHFFFAOYSA-N	324.431	1.705	50	20	DDGD	
CC(C)Oc1cncc(C(=O)NNC(=O)OCC(F)(F)F)c1	856021533	IYZOJQGGXDYQRT-UHFFFAOYSA-N	321.255	1.802	50	20	DDGD	
COC(=O)NNC(=O)Cc1ccc(NC(=O)C(F)(F)F)cc1	856757740	RODPUKMTWGBNCC-UHFFFAOYSA-N	319.239	1.117	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CC1CC1)N(C)C(=O)OC(C)(C)C	854667919	SHZXVSASTMQLKN-NSHDSACASA-N	313.398	1.579	50	20	DDGD	
Cc1cc(CC(=O)NNC(=S)NCCc2cccs2)no1	753016511	QNGJFJOHJLKEHV-UHFFFAOYSA-N	324.431	1.325	50	20	DDGD	
CC[C@H](NC(=O)NNc1ccc(-n2ccnc2)nn1)C1CC1	852593125	CXRDKFOVVJZIHB-NSHDSACASA-N	301.354	1.477	50	20	DDGD	
Cc1cc(NNC(=O)c2ccnc(O[C@H]3CCOC3)c2)ncn1	758162535	DKUTYNMJZXSWGT-LBPRGKRZSA-N	315.333	1.105	50	20	DDGD	
O=C(COC(=O)C12CCC(CC1)C2)NNC(=O)c1cccs1	752100583	CPHVCKWHSBQWSV-UHFFFAOYSA-N	322.386	1.633	50	20	DDGD	
CC(C)Cc1ccc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1	755891749	FMTCKFSNPLGKFI-HNNXBMFYSA-N	322.430	1.770	50	20	DDGD	
C[C@]1(CNC(=O)c2cnc3nccnc3c2)C[C@H]1Br	857392649	BFKHPJCLQXJOJF-ZWNOBZJWSA-N	321.178	1.928	50	20	DDGD	
CNC(=O)NNC(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1	858747272	DLMKSMKFTJGKKK-GFCCVEGCSA-N	310.785	1.265	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@]1(C)CC(c2ccccc2)=NO1	857169795	VOUVPHDLSQOUNO-HNNXBMFYSA-N	304.350	1.262	50	20	DDGD	
C[C@H]1CC(=NNC(=O)Cc2ccccc2O)CC[C@@H]1C(=O)O	853401103	VUNCPWHPEIOMBN-GWCFXTLKSA-N	304.346	1.928	50	20	DDGD	
O=C(COc1ccccc1F)NN=Cc1ccnn1CC1CC1	853266063	RWNZJPSTAHNHJE-UHFFFAOYSA-N	316.336	1.961	50	20	DDGD	
CCCNC(=O)NNC(=O)C(C)(C)c1ccc(OC)c(OC)c1	758187158	MMUYCKCRZZNHKQ-UHFFFAOYSA-N	323.393	1.722	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNc1cccc(C(=O)OC)c1C	855623995	XHXDEVOKTTVCEH-LLVKDONJSA-N	322.361	1.814	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NNc1cccnn1	860752775	XUPIUNYKHVXMIY-JTQLQIEISA-N	309.370	1.565	50	20	DDGD	
Cn1cc(/C=C\C(=O)NNc2cc(C#N)cc(Cl)n2)cn1	769055491	HJYCERKMEKMIBF-IHWYPQMZSA-N	302.725	1.497	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1ccc(Cl)nn1	863098581	OMMZHFRKYZIFPR-UHFFFAOYSA-N	304.606	1.562	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCC(=O)[C@H]1CCOC1	762911409	LBPRPQQFERFRKS-BPLGCGBFSA-N	301.298	1.448	50	20	DDGD	
C[C@@H](NNC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F)C(F)(F)F	862317434	GSOANTAGQXELID-RITPCOANSA-N	321.221	1.111	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@@H]1CCCN(CC(F)F)C1	867043327	IXWSBSURRJVGJN-MRVPVSSYSA-N	303.288	1.036	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNC(=O)c1cc(C)cs1	862477304	JKACDVNRYFAWCR-UHFFFAOYSA-N	304.375	1.792	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC(c2nc[nH]n2)CC1	866936854	WCEXCZCWHHUCKM-UHFFFAOYSA-N	320.846	1.579	50	20	DDGD	
CNC(=O)C(C)(C)CNC(=O)[C@@H](Br)C(C)(C)C	768295282	IDBWROVFUUKHHA-MRVPVSSYSA-N	307.232	1.684	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc(F)cc3nn[nH]c23)n1	764073342	DYOPZCAORPJYHC-UHFFFAOYSA-N	301.285	1.261	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNc1cccc(F)c1C(=O)OC	935844476	DCUIGZRVMHTYCH-RKDXNWHRSA-N	324.308	1.255	50	20	DDGD	
CN(C)c1cccc(NC(=O)NNC(=O)CC(F)(F)F)n1	764726766	HJRXXFPXTHLIMM-UHFFFAOYSA-N	305.260	1.253	50	20	DDGD	
N#CCNC(=O)COC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	869462318	QKBLTKFEWFZSNM-HOTUBEGUSA-N	315.167	1.123	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](Br)C(C)(C)C)n[nH]1	768362012	SLOZRTCTBVLFOQ-QMMMGPOBSA-N	317.187	1.289	50	20	DDGD	
Cc1csc(C(=O)NN=C2CCN(S(C)(=O)=O)CC2)c1	863155227	CJTIFQWJTPUFGH-UHFFFAOYSA-N	315.420	1.198	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1cc(C(=O)O)ccc1F	865213739	GNBOUKUZUDKRDM-LCYFTJDESA-N	320.320	1.974	50	20	DDGD	
CC(C)(C)c1ccccc1NC(=O)NNC(=O)[C@H]1CCC(=O)N1	860254673	UYZHNNWONNIXHA-GFCCVEGCSA-N	318.377	1.415	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)CCC2(O)CCC2)c1	864460966	JXWNGXUKUQAFKG-UHFFFAOYSA-N	320.389	1.525	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCCC(=O)N1CCCCC1	866531416	QEZCTWXTWQVTLE-UHFFFAOYSA-N	324.874	1.573	50	20	DDGD	
Cc1ccc(CCC(=O)NNC(=O)Cc2cc(C)[nH]n2)c(C)c1	869013385	YNZLMDORYUUXAF-UHFFFAOYSA-N	314.389	1.658	50	20	DDGD	
C[C@@]1(CCC(=O)NNCC(F)(F)C(F)(F)F)CCC(=O)N1	863098099	ZAKBLTMBLFFETP-VIFPVBQESA-N	317.258	1.254	50	20	DDGD	
COc1ccnc(NNC(=O)C[C@@H](c2ccccc2)N(C)C)n1	764217470	NJNWQTUMTFOYTI-ZDUSSCGKSA-N	315.377	1.621	50	20	DDGD	
CN1CCC[C@H](OC(=O)/C(C#N)=C/c2ccc(O)cc2)C1=O	764552140	MXTSORNBASVZFF-TZIYXEQSSA-N	300.314	1.463	50	20	DDGD	
Cc1sc(Cl)nc1C(=O)NNC(=O)CNc1ccccc1	762843489	PRHIPMIEFKMFDA-UHFFFAOYSA-N	324.793	1.978	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCCO2)[C@@H]1CCCOC1	779768532	LNZCXNGVLNUBIA-CYBMUJFWSA-N	304.346	1.990	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)COc1cccc(C(F)(F)F)n1	776851470	CGRRZMLMGPVKQC-UHFFFAOYSA-N	319.283	1.673	50	20	DDGD	
CC(=NNC(=O)NCC(F)(F)F)C1CCS(=O)(=O)CC1	777432546	DVTMKGVJQUTWFF-UHFFFAOYSA-N	315.317	1.049	50	20	DDGD	
O=C(CS[C@@H]1CCCOC1)NNC(=O)c1cccs1	779827765	HLUKDTZMLSNVSV-SECBINFHSA-N	300.405	1.421	50	20	DDGD	
O=C(CSc1cccc[n+]1[O-])NNc1cc(Cl)ccn1	778451636	NUIWFEHSXSUDLG-UHFFFAOYSA-N	310.766	1.604	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)c2ccccn2)c1F	771261165	AKNNLOXFJOPNQV-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
COc1ccc(F)cc1CC(=O)NNC(=O)CC(F)(F)F	773793367	KKICVULGVNBDRU-UHFFFAOYSA-N	308.231	1.477	50	20	DDGD	
COC(=O)[C@@H](C)n1cccc1C=NNC(=O)c1cc(C)[nH]n1	774586691	PVHXMTDORLZGLD-SNVBAGLBSA-N	303.322	1.018	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)c2cccnc2)c(F)c1	777271349	VXPQLYPTXSZWIH-UHFFFAOYSA-N	301.277	1.498	50	20	DDGD	
COC(=O)Cn1cccc1C=NNC(=O)c1ccccc1F	776183055	HNAKHFHEZGVZGN-UHFFFAOYSA-N	303.293	1.564	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NNc1ccc(F)c(F)c1	885111040	QZHPPRQEDLRMJU-NSHDSACASA-N	300.309	1.635	50	20	DDGD	
CC(C)Cc1nc(C(=O)NNC(=O)C2CCOCC2)cs1	883062970	YGNXWBNOTIJLAX-UHFFFAOYSA-N	311.407	1.529	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1	780458496	AHZKPGGQMGNBBE-UHFFFAOYSA-N	310.313	1.255	50	20	DDGD	
COC(=O)C[C@]1(NC(=O)C2CCC(Cl)CC2)CCOC1	1123790819	XYGAHOYZGWPUIP-QIMFLAQGSA-N	303.786	1.622	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)NNC(=O)C1CC1	895461940	DEEPUCMUPMTCSY-NSHDSACASA-N	311.382	1.237	50	20	DDGD	
CC1(C=NNC(=O)Cc2csc(N3CCOCC3)n2)CC1	782178023	ZGTMKAFTSCTJQE-UHFFFAOYSA-N	308.407	1.424	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1ccc([N+](=O)[O-])cc1O	781806033	TVJGSIIQEPAQDL-UHFFFAOYSA-N	309.669	1.501	50	20	DDGD	
Cc1cc(NNC(=O)c2cc([C@H]3CCCN3C)[nH]n2)nc(C)n1	896457814	JOSVEAPOOSBBKX-CYBMUJFWSA-N	315.381	1.340	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)Nc1ccccc1F	796656175	RFQGNIPAHWRMLS-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)N=c1cc[nH]cc1)c1ccccc1	795002413	MFWMNAKKXPVUBP-NSHDSACASA-N	315.402	1.765	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)COc1ccc(C)c(C)c1)C1CC1	792015608	ZNLWYSBYBKOVTQ-HNNXBMFYSA-N	306.362	1.255	50	20	DDGD	
CCCCNC(=O)NNC(=O)C1CCC(OCCOC)CC1	793198820	MUONPEYRUCZHTD-UHFFFAOYSA-N	315.414	1.339	50	20	DDGD	
N#C/C(=C\c1cnc(N2CCCC2)nc1)C(=O)[C@H]1CCCOC1	794952588	GLERTPVVLGUXDN-GFKDLEGOSA-N	312.373	1.979	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCc1cccc(N(C)C)c1	792081828	DHERLFIFBGPBSF-UHFFFAOYSA-N	306.410	1.816	50	20	DDGD	
COc1ccc(F)c2[nH]c(C(=O)NNc3cccnn3)cc12	793809506	QLZIQFKYNSEREB-UHFFFAOYSA-N	301.281	1.863	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2ccnc(C)c2)cc1	790577922	WKFNMEOSVBITGO-UHFFFAOYSA-N	313.357	1.792	50	20	DDGD	
CC(=NNC(=O)c1ccc(-n2cnnn2)cc1)c1cc(C)on1	790288990	YRLMFKRZLUGEBQ-UHFFFAOYSA-N	311.305	1.113	50	20	DDGD	
C=CCOc1cccnc1C(=O)NNC(=O)NCC(F)(F)F	798315221	CKPFNZJRYOYDTQ-UHFFFAOYSA-N	318.255	1.153	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)c1n[nH]cc1C	799425674	WGXHPWCDRUXULG-UHFFFAOYSA-N	320.374	1.280	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)c2cccc3ccccc23)cnn1C	794346524	JJVWCDDHYAYZKO-UHFFFAOYSA-N	322.368	1.885	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2CCCC[C@H]2N(C)C)n1	1318505560	YKPGYPYFKHNUHH-CHWSQXEVSA-N	306.414	1.592	50	20	DDGD	
CCCCOc1ccc(C(C)=NNC(=O)C(=O)OC)cc1OC	1318903399	VTNWKPITWBTVEN-UHFFFAOYSA-N	322.361	1.887	50	20	DDGD	
CN(C)Cc1ccc(C(=O)NNc2nncc(N)c2Cl)cc1	1319240533	HTULJLYZTFMSBR-UHFFFAOYSA-N	320.784	1.531	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCC(N2CCOCC2)CC1	702058108	HXGVMPZYFGADKX-UHFFFAOYSA-N	324.874	1.132	50	20	DDGD	
COCc1cc(C(=O)NNc2nc(-c3ccncc3)no2)no1	1329697258	GCMXHGBJOOUFHJ-UHFFFAOYSA-N	316.277	1.023	50	20	DDGD	
COc1cccc(C[C@@H](O)C(=O)NNc2cccc(Cl)n2)c1	1324302980	NJHGLEIMVUKISO-GFCCVEGCSA-N	321.764	1.790	50	20	DDGD	
COc1ccc(C(C)(C)C)cc1NC(=O)NNC(=O)CCO	1323986616	XXWRXUDINPWOFN-UHFFFAOYSA-N	309.366	1.528	50	20	DDGD	
CCOC(=O)COc1ccc(/C=C(/C#N)S(=O)(=O)CC)cc1	1320624644	LAFLAPHBUWDJLZ-ZROIWOOFSA-N	323.370	1.928	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=S)NC(C)C)c1CC	1320746958	NOJRJWXCRUBNFK-UHFFFAOYSA-N	311.455	1.763	50	20	DDGD	
NC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccccc1Cl	1326131591	BCEQBKFPLBMPAU-GXFFZTMASA-N	324.812	1.802	50	20	DDGD	
COC(=O)c1ccc(C(=O)NC[C@@]2(C)C[C@@H]2Br)o1	1329079692	KKZGPKDVKUVDIQ-JOYOIKCWSA-N	316.151	1.970	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCc2ncc(C)s2)cc1	1252357005	WKMSLIXHFAOYQB-UHFFFAOYSA-N	320.374	1.604	50	20	DDGD	
O=C(NNc1ncccn1)C(=O)Nc1cncc2ccccc12	1338275872	CSWVLYIWIIFHMR-UHFFFAOYSA-N	308.301	1.107	50	20	DDGD	
CCCC[C@@H]1CCC[C@H]1NC(=O)NNC(=O)C1CCNCC1	1261375582	SXKGLUULZCEPPS-TZMCWYRMSA-N	310.442	1.675	50	20	DDGD	
CC1(C)OCC(NC(=O)NNc2ccc(C(C)(C)C)nn2)CO1	1342436073	ZOKOHEPFYMHWGR-UHFFFAOYSA-N	323.397	1.552	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCCc1ccc(O)cc1	1261454057	XEAYYRIIXXSROV-SMDDNHRTSA-N	321.377	1.080	50	20	DDGD	
CC(C)[C@@H]1CCN1C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1351190950	JQKOZQYKCZEKTR-OUJBWJOFSA-N	317.227	1.533	50	20	DDGD	
CC(=O)c1ccc(CC(=O)NNC(=O)C2CCOCC2)cc1	1354128379	LMTMQFARJUTNND-UHFFFAOYSA-N	304.346	1.006	50	20	DDGD	
CC(C)(CNC(=O)NNc1ncncc1F)C1CCOCC1	1522583120	XLCOPSRODPYBDF-UHFFFAOYSA-N	311.361	1.695	50	20	DDGD	
COc1c(Br)cccc1C(=O)NN(C)C[C@H](C)O	1521660261	OWHKGCBJPPESSJ-QMMMGPOBSA-N	317.183	1.415	50	20	DDGD	
O=C(C[C@H]1CC[C@@H](C2CC2)O1)NNc1ccc(C(=O)O)cn1	1601252077	QLEGCSMENODGPE-NEPJUHHUSA-N	305.334	1.571	50	20	DDGD	
Cc1cc(C(=O)NN=c2cc[nH]c3cccnc23)oc1C(=O)O	1600096338	IYCNMKXUAQHUJL-UHFFFAOYSA-N	312.285	1.408	50	20	DDGD	
CC[C@]1(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)CCNC1=O	1605134712	CPVCMYWMUHSMKK-AWEZNQCLSA-N	322.273	1.115	50	20	DDGD	
O=C(O)c1cccc(C(=O)NNC(=O)c2c[nH]c3ccccc23)n1	1602433116	CMQCVVKMBIXTIZ-UHFFFAOYSA-N	324.296	1.336	50	20	DDGD	
CC(C)OCCC(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1603924644	QHPQMMIJXNWHQD-UHFFFAOYSA-N	315.395	1.395	50	20	DDGD	
O=C(NNC(=O)[C@H](C(=O)O)C1CC1)c1cc2ccccc2o1	1605814883	YVVDBEKTOJTQNQ-GFCCVEGCSA-N	302.286	1.305	50	20	DDGD	
Cc1ccc2nc(C(=O)NNc3ccc(C(=O)O)cn3)cn2c1	1600501387	AUDRLZSNFFUUKU-UHFFFAOYSA-N	311.301	1.493	50	20	DDGD	
N#C/C(=C/c1ccc(OCC(=O)O)cc1)S(=O)(=O)NC1CC1	1601046079	NPKPKWLATXREOC-QPEQYQDCSA-N	322.342	1.096	50	20	DDGD	
Cc1cc(CNC(=O)NNc2ccc(C(=O)O)cc2F)no1	1600202166	WBCDQYBVDYKKSK-UHFFFAOYSA-N	308.269	1.647	50	20	DDGD	
C=C(CBr)CN1CC[C@]2(CC(C(=O)O)=NO2)C1	1602771925	FERBFMBKEDYUQB-NSHDSACASA-N	303.156	1.243	50	20	DDGD	
COc1ccc(NNC(=O)Nc2cccnc2C(=O)O)nc1	1604821045	HTTIEVXHETWWAB-UHFFFAOYSA-N	303.278	1.332	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2cccc(F)c2C(=O)O)CCC1	1605515685	QVUQSFFYYLAGIQ-UHFFFAOYSA-N	324.308	1.700	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)Cc2ccc(C(=O)O)cc2)n1	1608275251	GJPGKXHJDNGKMH-UHFFFAOYSA-N	321.724	1.096	50	20	DDGD	
O=C(O)[C@@H]1[C@H]2CCC[C@H]2CN1CCI	1601757740	ZFLAGBJMLXRLAX-CIUDSAMLSA-N	309.147	1.607	50	20	DDGD	
CN(C)C(=O)CCCC(=O)NNc1cccc(C(=O)O)c1F	1610095113	VXIPUOXPNFBEOZ-UHFFFAOYSA-N	311.313	1.226	50	20	DDGD	
Cn1cc(C=NNC(=O)NCC(=O)O)c(C2CCCCC2)n1	1610601981	XUMBOWIUHYXWMC-UHFFFAOYSA-N	307.354	1.186	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2nnc3ccccc3c2O)c1	1610849016	XSOLNSNZARSMAI-UHFFFAOYSA-N	324.296	1.791	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@@H]2CCC[C@@H](C(=O)O)C2)n1	1610648934	QYAOCSLVBDHQAO-RNFRBKRXSA-N	313.745	1.046	50	20	DDGD	
O=C(/C=C\c1cncc(O)c1)NNc1ccc(C(=O)O)cn1	1610650001	BXYLKOLHIGQUKN-RJRFIUFISA-N	300.274	1.037	50	20	DDGD	
COCC[C@@H](COC)NC(=O)NNc1cccc(C(=O)O)c1	1610255317	ZYCIGCKVAYBIAY-LBPRGKRZSA-N	311.338	1.062	50	20	DDGD	
CCc1noc(C)c1C(C)=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549319066	SIANXZQQEADZFP-TZMCWYRMSA-N	320.393	1.249	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@@H]2C[C@@H](N)C23CCC3)cc(C#N)n1C	1579529797	MUCLTABJICIIJI-CMKFXNONSA-N	323.400	1.498	50	20	DDGD	
CC[C@@H](C)C[C@H](N)C(=O)NNC(=O)c1c(C)nc2ccccn12	1576984290	WWVPKDZLONTLLQ-PWSUYJOCSA-N	317.393	1.167	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1CNc2ccccc2C1	1579787994	HIFACMRGBDXUJJ-CQSZACIVSA-N	324.384	1.976	50	20	DDGD	
C#CCCCC(=O)NN=Cc1cc(C(=O)O)c2n1CCCC2	1588435450	QSMAFQHFUUZJDE-UHFFFAOYSA-N	301.346	1.776	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(F)c(C(=O)O)c1)c1ccnn1C	1589424701	ZWPSBJNHLAUPBN-MRVPVSSYSA-N	306.297	1.504	50	20	DDGD	
C[C@@H](NNC(=O)c1cc(-c2nn[nH]n2)ccc1F)C(F)(F)F	1589976635	MICBJQWGTHVWPM-RXMQYKEDSA-N	318.234	1.191	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCCO2)C1	1846147745	RJUILHCEKKWLQO-NEPJUHHUSA-N	314.813	1.386	50	20	DDGD	
CC(C)O[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843364278	AQQHLBXMUCHVHM-QWRGUYRKSA-N	320.792	1.538	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H](CC)NC)C2	1845164748	ZGFMNTLGFCMFQV-RYUDHWBXSA-N	315.845	1.205	50	20	DDGD	
COc1cc(C(=O)NNc2cccc(C)c2)ccc1-c1nn[nH]n1	1591516007	ZOYWMKLHTXGQPX-UHFFFAOYSA-N	324.344	1.941	50	20	DDGD	
CCCC[C@@H](NNC(=O)CN1CCCc2ccccc21)C(=O)O	1595641419	WYJMCKPBXFWDEE-CQSZACIVSA-N	319.405	1.703	50	20	DDGD	
CN(NC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1)C(=O)OC(C)(C)C	1598542209	ZPKSUPICRURJEX-NXEZZACHSA-N	300.355	1.776	50	20	DDGD	
C[C@]1(CNc2cc(-c3nn[nH]n3)ccn2)C[C@@H]1Br	1590134093	NNFLGYGSBFKIDN-GZMMTYOYSA-N	309.171	1.847	50	20	DDGD	
Cc1c[nH]ccc1=NC(=O)NNc1ccc(-c2nn[nH]n2)cc1	1592302077	QALFLMXRGPZHLD-UHFFFAOYSA-N	310.321	1.141	50	20	DDGD	
COCc1cncc(C(=O)NNc2ccc(C(=O)O)cc2F)c1	1599298703	RGXWCBRJOZBLKE-UHFFFAOYSA-N	319.292	1.822	50	20	DDGD	
O=C(O)c1ccc2c(c1)CCCC2=NNC(=O)c1ncccn1	1776081420	NWESZUGKIJTWGA-UHFFFAOYSA-N	310.313	1.645	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cc(F)c(C(=O)O)cc1F	1776118143	UJPZMFYPMHABCX-WTKPLQERSA-N	310.256	1.333	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2O)c(C)c1	16130889	JIBHGPLAKHAAEY-UHFFFAOYSA-N	320.370	1.632	50	20	DDGD	
Cc1cccc2c1NC(=O)/C2=N\NC(=O)c1cccc([N+](=O)[O-])c1	18037717	ZLPFNFARACFTCI-UHFFFAOYSA-N	324.296	1.989	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CN(CC(F)F)C2CC2)c1	165722322	MRLCHWBLAGYQES-UHFFFAOYSA-N	322.315	1.049	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2ccc(-n3cnnc3)cc2)c1	152277504	NQNAAMOWAITNNK-UHFFFAOYSA-N	304.313	1.896	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCc2ccc(Cl)s2)[nH]n1	153350972	PAYHHLYLOZYHJH-UHFFFAOYSA-N	312.782	1.827	50	20	DDGD	
CCCNC(=O)c1ccc(NC(=O)NNc2ncccn2)cc1	157436822	HIKQDINXPATCPF-UHFFFAOYSA-N	314.349	1.765	50	20	DDGD	
COc1ccc(NNC(=O)Cc2ccc([N+](=O)[O-])cc2)nc1	159049807	KYNYGYBPJXLAPZ-UHFFFAOYSA-N	302.290	1.684	50	20	DDGD	
Cc1c(NS(=O)(=O)c2ccc(CCCl)cc2)nnn1C	701845608	JUFQAUPLYURFBV-UHFFFAOYSA-N	314.798	1.706	50	20	DDGD	
CN(CC(=O)NCC(C)(C)C)NC(=O)OCc1ccccc1	859385521	VTQWKQIVQSTTCY-UHFFFAOYSA-N	307.394	1.922	50	20	DDGD	
O=C(Cn1ccccc1=O)NNC(=O)c1ccc2ccccc2c1	7950125	NPGSHESKKFWFNK-UHFFFAOYSA-N	321.336	1.463	50	20	DDGD	
COc1ccsc1C(=O)NNC(=O)Cc1ccc(F)cc1	106009989	QTBBLCXQLFOABT-UHFFFAOYSA-N	308.334	1.900	50	20	DDGD	
COc1cc(Cl)ccc1CNC(=O)NNC(=O)c1ccc[nH]1	107858390	LPMPIZSTNSKYGK-UHFFFAOYSA-N	322.752	1.821	50	20	DDGD	
CC(C)c1ccc(CCC(=O)NNC(=O)Cc2cc[nH]n2)cc1	106452585	YCFBFLJGIXDIOB-UHFFFAOYSA-N	314.389	1.856	50	20	DDGD	
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)CC(C)(C)C	103181639	BIDAFXUJJSHYSW-ZJUUUORDSA-N	300.403	1.056	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)c2cccc(C#N)c2)cc1	103403174	LGFWAARLJFYSHV-UHFFFAOYSA-N	308.341	1.699	50	20	DDGD	
CC[C@@H](CC(=O)NNC(=O)NCCCOC)c1ccccc1	103432344	UCJMDMXFKRXQPI-ZDUSSCGKSA-N	307.394	1.937	50	20	DDGD	
CC1(C)[C@@H]2CN(CC(=O)NNC(=O)c3ccccc3Cl)C[C@H]21	172949978	CITVXFSCHKRUAP-VXGBXAGGSA-N	321.808	1.689	50	20	DDGD	
Cc1noc(-c2ccccc2C(=O)NNC(=O)c2ccncc2)n1	172911054	SSEWLVYPAYVBDY-UHFFFAOYSA-N	323.312	1.515	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)cn1	27257724	NXWIMIRQVYZNQD-UHFFFAOYSA-N	323.312	1.515	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1ccc(Br)cn1	171354054	PYRJHECIBUJSME-UHFFFAOYSA-N	309.123	1.247	50	20	DDGD	
CC[C@H](C)C[C@H](C)NC(=O)NNC(=O)CNC(=O)c1ccco1	176229651	BDWPYDOTXYRWET-QWRGUYRKSA-N	324.381	1.165	50	20	DDGD	
Cc1ccc(C#N)cc1NC(=O)C(=O)NNc1cccc(C#N)c1	119454463	GYBFWCDXQWBPNW-UHFFFAOYSA-N	319.324	1.820	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)c2cccc(C#N)c2)C[C@H](C)O1	111491334	NMWDELRVSRRBPI-FZMZJTMJSA-N	316.361	1.412	50	20	DDGD	
O=C(CCC(=O)c1cccs1)NNC(=O)NC1CCCC1	65920872	DOGWXFGJODPAKO-UHFFFAOYSA-N	309.391	1.984	50	20	DDGD	
O=C(CC[C@@H]1CCCCO1)NNc1nc(-c2ccncc2)no1	110682380	LENCHDSYGWUNBF-LBPRGKRZSA-N	317.349	1.924	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C2(c3ccc(F)cc3)CCC2)cn1	117679411	OQXYVDMZGDXJHQ-UHFFFAOYSA-N	316.336	1.442	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCCSC(F)(F)F	171741662	YNTSISJBLAHPTM-UHFFFAOYSA-N	322.312	1.208	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cccnc1OCC(F)(F)F	119533635	SEQYVGJEEIYRHM-UHFFFAOYSA-N	320.271	1.375	50	20	DDGD	
CC(C)c1cc(CNC(=O)NNC(=O)c2ccccc2O)on1	114605608	IRUQWYQKCOQORQ-UHFFFAOYSA-N	318.333	1.648	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccc(OC[C@@H]2CCCO2)cc1	26966528	VBFDLNGOOREMRW-AWEZNQCLSA-N	304.346	1.415	50	20	DDGD	
COCCOCCNC(=O)NNC(=O)CCCc1ccccc1	69288733	MDIARJYTLWFDNT-UHFFFAOYSA-N	323.393	1.003	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc2ncccc2c1	126862057	HMFPYEIYSKQHJB-UHFFFAOYSA-N	302.334	1.215	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCOC1)c1ccc(Cl)cc1F	175817549	SWSHUXIWSOLQOX-MRVPVSSYSA-N	300.717	1.667	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCS[C@H]2COCC[C@H]21	154761318	QVHPCAQOGYOQEX-MNOVXSKESA-N	313.872	1.542	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)c1ccccc1-n1cnnn1	122386789	MOCYJXSKRWONEZ-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
CCCc1cc(NC(=O)NNC(=O)c2cccnc2)n(C)n1	183725277	PBHAYCOGVILLGW-UHFFFAOYSA-N	302.338	1.234	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNc2cccc([N+](=O)[O-])c2)nn1	189659837	GVJWVKHHJILFFO-UHFFFAOYSA-N	304.310	1.698	50	20	DDGD	
COc1cccc(NNC(=O)c2cc([N+](=O)[O-])ccc2N)n1	189376077	BMIOFIGSSZTWLK-UHFFFAOYSA-N	303.278	1.338	50	20	DDGD	
C[C@H]1CCN(C(=O)NNC(=O)c2ccc(C#N)cc2)C[C@H]1C	126710174	JHDSGEOBPSHTCC-NWDGAFQWSA-N	300.362	1.891	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C(C)(C)C)n1nnc(-c2ccccc2)n1	79583920	ZDLFCULVFXMBOO-SNVBAGLBSA-N	316.365	1.095	50	20	DDGD	
COc1ncccc1C(=O)NNC(=O)c1ccc(Cl)nc1	77249107	LHGMTFXWPZVJQF-UHFFFAOYSA-N	306.709	1.213	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)oc1C	134245418	ANOYUXUIEYVGMJ-UHFFFAOYSA-N	316.313	1.742	50	20	DDGD	
CC[C@@H](CSC)N(C)CC(=O)NNC(=O)c1ccccc1	180233051	GYQJHNWPCUTOSW-ZDUSSCGKSA-N	309.435	1.521	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)Cn2ccc3ccccc32)c[nH]1	181602526	RLBQKVRUGNELAQ-UHFFFAOYSA-N	307.313	1.302	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2cccc(C(N)=O)c2)n1	193686174	USGZPTAUROVIPI-UHFFFAOYSA-N	314.349	1.019	50	20	DDGD	
CCNC(=O)NNC(=O)c1cncc(-c2ccc(OC)cc2)c1	133382808	DMTGDCOCLVHTNL-UHFFFAOYSA-N	314.345	1.721	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cnc(-c2ccccc2)s1	46595482	LCXXLJDYKWIHHB-NSHDSACASA-N	317.370	1.750	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2cccnc2)on1)c1cccnc1	45859472	ZBKNMZZBZYLQTK-UHFFFAOYSA-N	309.285	1.206	50	20	DDGD	
CC(=O)CC(C)(C)CC(=O)NNC(=O)c1ccc(C#N)cc1	191798788	KFJOQGBCGJNQRD-UHFFFAOYSA-N	301.346	1.715	50	20	DDGD	
CCNC(=O)c1cccc(CNC(=O)NNc2ncccn2)c1	47124933	KFXNZQKIHQNUKV-UHFFFAOYSA-N	314.349	1.053	50	20	DDGD	
COc1nccnc1NNC(=O)[C@](C)(OC)c1ccccc1F	192381927	IKVOQSZZLOFHDH-OAHLLOKOSA-N	320.324	1.629	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)c1ccc(C)o1)c1ccco1	84455453	GFFVKGWMDLDYEI-JTQLQIEISA-N	307.306	1.513	50	20	DDGD	
Cc1c(C(=O)NNC(=O)N(C)C)cnn1-c1ccccc1F	194931488	SOSUMPFPQFWUJM-UHFFFAOYSA-N	305.313	1.236	50	20	DDGD	
COCCN1CCN(/C(=C/C#N)c2ccc(F)cc2)CC1=O	91835049	ZTKAVJCSXIAJEJ-GIDUJCDVSA-N	303.337	1.481	50	20	DDGD	
C[C@H]1[C@H](C)CCN1CC(=O)NNC(=O)c1ccccc1Cl	248337737	HOPQMOZHUSJUAB-MNOVXSKESA-N	309.797	1.831	50	20	DDGD	
CCS(=O)(=O)N1CCN(/C(=C\C#N)c2ccccc2)CC1	255141758	DECCBWKUJFVPKL-NVNXTCNLSA-N	305.403	1.518	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@H](O)C(C)C)cc(C#N)n1C	269600580	OQINLBHQWOAJGS-WQPBDQAGSA-N	300.362	1.245	50	20	DDGD	
O=C(CNC(=O)C1CCCCC1)NNc1ccc(Cl)nc1	266579782	ZZARTIHQOCRBRD-UHFFFAOYSA-N	310.785	1.875	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)CC1CCCCC1	264599679	XLZGATPIFBJIEP-UHFFFAOYSA-N	306.362	1.889	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)CCn1cc(Cl)cn1)C1CC1	267570359	DEXLSPOEUSXMJL-QMMMGPOBSA-N	315.830	1.220	50	20	DDGD	
O=C(NNC(=O)c1cc2c(nc1O)CCCCC2)NC1CC1	265638585	LIKCOYLICQXENJ-UHFFFAOYSA-N	304.350	1.163	50	20	DDGD	
O=C(NNc1cccnn1)N[C@H]1CCO[C@]2(CCSC2)C1	366391398	TUNJFNUMSKVTDD-GXFFZTMASA-N	309.395	1.157	50	20	DDGD	
CC[C@H]1C[C@H](C(=O)NNC(=O)COc2ccccc2F)CCO1	272513691	WLKLGJFFVMOWFU-NEPJUHHUSA-N	324.352	1.557	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)NOC[C@@H]1CCOC1	276315736	WTGUBXMEDIUUAL-SNVBAGLBSA-N	319.317	1.345	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCN(C)C(=O)OC(C)(C)C	276720851	SIPRRGRLQWZASX-UHFFFAOYSA-N	323.397	1.883	50	20	DDGD	
CC(C)OCCCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	273316331	DOFSPUZSMZWIOU-AWEZNQCLSA-N	322.361	1.179	50	20	DDGD	
C=CCNC(=S)NNC(=O)C1(c2cccnc2)CCCC1	368241408	NPCDHLOECJURGS-UHFFFAOYSA-N	304.419	1.575	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)C(=O)c1c(C)nn(C)c1C	274566752	DLMRUPFHGFRCHH-UHFFFAOYSA-N	304.325	1.810	50	20	DDGD	
COCCN1CC[C@@H](NC(=O)NNc2c(C)cccc2F)C1	274550004	XDJDRBRHCNBFGW-GFCCVEGCSA-N	310.373	1.481	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1cc2c(cn1)OCCC2	363691353	SCKQWIWURGBAPV-UHFFFAOYSA-N	313.313	1.187	50	20	DDGD	
CC[C@@H]1CC[C@@H](C)N1CC(=O)NNC(=O)Cc1nc(C)cs1	271462287	FGPAZIJPCHBSGI-VXGBXAGGSA-N	324.450	1.404	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1ccc2[nH]ccc2c1	273404487	OCSGURWDGSQQHS-SNVBAGLBSA-N	320.349	1.372	50	20	DDGD	
CC#CCNC(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	278289629	ZSNIUJGTXHFPAG-JTQLQIEISA-N	309.753	1.461	50	20	DDGD	
COCC[C@@H](NC(=O)NNc1ncccn1)c1ccc(C)o1	272336843	BAAZSDYTXPSECS-LLVKDONJSA-N	305.338	1.782	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCSCc2ccccc2)[nH]n1	279396294	AGBDJKYWYOKNBN-UHFFFAOYSA-N	318.402	1.803	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1ccc(CN2CCCC2)cc1	276844323	YWZKHGKDHLOSFE-UHFFFAOYSA-N	324.384	1.752	50	20	DDGD	
COc1cccc(NNC(=O)[C@@](C)(O)Cc2ccccc2)n1	273042666	VONNSHNDAATISQ-INIZCTEOSA-N	301.346	1.527	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C2(O)CCCCC2)nc1C	272126736	AMUALOCPDYNAMC-UHFFFAOYSA-N	322.365	1.100	50	20	DDGD	
COc1cccc(NNC(=O)Cn2ccc(C(F)(F)F)n2)n1	272978730	LOZYCEJYFURTJS-UHFFFAOYSA-N	315.255	1.449	50	20	DDGD	
Cc1cc(C)cc([C@H](O)CNC(=O)NNC(=O)C(C)(C)C)c1	282722034	KTTNACINCVYFNO-CYBMUJFWSA-N	307.394	1.713	50	20	DDGD	
CNC(=O)[C@@]1(C)CCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C1	281107979	NCHKMDOSRRWKSL-CQMBDMNQSA-N	314.345	1.917	50	20	DDGD	
CCc1[nH]c(C(=O)NNc2ncccc2F)c(C)c1C(=O)OC	286137851	XXBSDLXEHPOYFE-UHFFFAOYSA-N	320.324	1.963	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@](C)(O)CSc1cccc(F)c1	286325731	LGJFADSUSONVBE-ZDUSSCGKSA-N	316.354	1.398	50	20	DDGD	
Cc1ccc([C@@H](NC(=O)NNC(=O)[C@@H]2CCCO2)C2CC2)cc1	291677878	MVULABREHSHRPX-LSDHHAIUSA-N	317.389	1.956	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H]2CCCCO2)[nH]c2c1C(=O)CCC2	295326596	GXYXNZZXTVRKGR-LBPRGKRZSA-N	319.361	1.172	50	20	DDGD	
CC(C)C[C@@H](CN1CCCC1)NC(=O)NNC(=O)c1ccc[nH]1	297727139	SXLCEMOYKXVARD-ZDUSSCGKSA-N	321.425	1.469	50	20	DDGD	
Cn1cncc1C(=O)NNC(=O)Cc1ccc2ccccc2c1	809611591	HVGDHYHEOMADOG-UHFFFAOYSA-N	308.341	1.577	50	20	DDGD	
CC[C@H](Cc1ccccc1)C(=O)NNC(=O)N=c1cc[nH]cc1	802025584	JQJFNCWOCFSFMX-CQSZACIVSA-N	312.373	1.925	50	20	DDGD	
O=C(NCc1cc2ccccc2[nH]1)NNC(=O)[C@@H]1CCCCO1	297149205	IQNBPQQROIZSGZ-AWEZNQCLSA-N	316.361	1.567	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNC(=O)Nc1cccnc1	804030548	UMYLEUHYBSJGGI-UHFFFAOYSA-N	311.301	1.185	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1cccnc1F	806284521	HBHYZYMTTRWQNY-UHFFFAOYSA-N	317.320	1.623	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)C1=Cc2ccccc2OC1	295288896	DFBNGFXUWUSFNQ-AWEZNQCLSA-N	302.330	1.179	50	20	DDGD	
Cc1nnc(NNC(=O)CCc2ncc(C(C)(C)C)o2)nc1O	801600482	IFORIDLFFGTZEL-UHFFFAOYSA-N	320.353	1.247	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C(=O)NNC(=O)CC2CC2)c1C	294022006	CFTAEFXDUSZBGU-UHFFFAOYSA-N	307.350	1.369	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2snnc2C2CC2)s1	290142848	MQOKJSOZZSAYBA-UHFFFAOYSA-N	308.388	1.860	50	20	DDGD	
NC(=O)c1ccc(OCCC(=O)NNc2cccc(F)n2)cc1	804770057	QWESNTPQPVNVPQ-UHFFFAOYSA-N	318.308	1.232	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H]2CCCCS2(=O)=O)cc1	294426923	SDGGNJXPSPNGGJ-CYBMUJFWSA-N	312.391	1.496	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc(OC(=O)NC)c1	296644558	FLWMXDFDBSQQKI-VIFPVBQESA-N	308.338	1.604	50	20	DDGD	
C=C[C@@H](CO)NC(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C	290587572	MAIYDQPLNPXFFT-LRQZKABGSA-N	317.389	1.321	50	20	DDGD	
COC(=O)CSCCNC(=O)NNc1cccc(Cl)n1	292506521	CVSZNJCPLIPWEF-UHFFFAOYSA-N	318.786	1.267	50	20	DDGD	
CC(C)Cc1nc(C(=O)NNC(=O)N=c2cc[nH]cc2)cs1	802026971	ZEAUZRUQNBLKSK-UHFFFAOYSA-N	319.390	1.625	50	20	DDGD	
COc1ccc2c(c1)[C@@H](C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)CC2	294279024	PQDZMCJXELZBKV-XEGUGMAKSA-N	318.373	1.440	50	20	DDGD	
O=C(COC(F)F)NNC(=S)NCCc1cccs1	803159761	QTIVUQRPLCDJMF-UHFFFAOYSA-N	309.363	1.025	50	20	DDGD	
O=C(NNc1ncccc1F)c1cnc(-c2ncccn2)s1	804220141	YXVQPRGRIHKQJK-UHFFFAOYSA-N	316.321	1.891	50	20	DDGD	
CCSCc1ccc(C(=O)NNC(=O)N2CCOCC2)cc1	299390068	QZBIQQOIFUSHCH-UHFFFAOYSA-N	323.418	1.626	50	20	DDGD	
COc1ccc(-c2ocnc2C(=O)NNC(=O)CC2CC2)cc1	294330302	YVVMKKDKZJHXID-UHFFFAOYSA-N	315.329	1.911	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cnn(C)c1-c1ccccc1	806776890	RMDMWZBPCXMKKW-UHFFFAOYSA-N	317.349	1.276	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)CCl)CCN1Cc1ccccc1	396364890	LJPCAPKCDKTIRJ-LBPRGKRZSA-N	302.827	1.719	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NN=C1CCN(CCO)CC1	819807967	NYSFXLNODQGMNA-UHFFFAOYSA-N	314.389	1.202	50	20	DDGD	
Cc1cc(F)cc(-n2cc(C(=O)NNC(=O)CC3CC3)nn2)c1	819114360	HCJGEJLJNLUQEC-UHFFFAOYSA-N	317.324	1.276	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1ccc(Br)cn1	814954124	XVRPTPSNCKPAJG-UHFFFAOYSA-N	308.139	1.260	50	20	DDGD	
CN(NC(=O)[C@H]1CC[C@H](C(=O)NN(C)C2CC2)CC1)C1CC1	819650123	FZHVVGSDBCTWHQ-HAQNSBGRSA-N	308.426	1.044	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	819003477	WYGMYOLVXISMAV-XUJVJEKNSA-N	318.373	1.800	50	20	DDGD	
O=C(NC[C@H]1C[C@H]2C=C[C@H]1CC2)NNC(=O)c1ncccn1	817171695	ZXVWMURGIRNRJH-SDDRHHMPSA-N	301.350	1.023	50	20	DDGD	
C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CCCC12CCCC2	814834878	ACUGCADNODPHQI-SNVBAGLBSA-N	301.412	1.141	50	20	DDGD	
CN(C)CCCCC(=O)NNC(=O)CCCc1ccccc1	729534008	DVOMYBZPRKUFFS-UHFFFAOYSA-N	305.422	1.889	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(F)c(C(=O)OC)c1F	810338031	LNXYEWHHIBEUDB-UHFFFAOYSA-N	301.249	1.314	50	20	DDGD	
Cc1cccn2cc(CC(=O)NNC(=O)CC(F)(F)F)nc12	725889284	SVCKVRYBOKARRU-UHFFFAOYSA-N	314.267	1.285	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cnn(C2CCC2)c1)C1CC1	824446396	KCFCAYXUCKBZIV-VIFPVBQESA-N	307.423	1.516	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3cnc[nH]3)n[nH]2)cc1	725886229	JMBBTHPQLIZZIU-UHFFFAOYSA-N	310.317	1.183	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1ccc(C(=O)NC2CC2)cc1	728786410	JMTCQPYDTLVNBL-UHFFFAOYSA-N	322.368	1.667	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](O)c1ccc(C(F)(F)F)cc1	822837745	FJNVJGJPTVXRCT-SECBINFHSA-N	306.240	1.468	50	20	DDGD	
COc1ccc(C(=O)NN(C)[C@@H](C)CO)cc1OC1CCCC1	823935674	VICNKUFTZTWCBB-LBPRGKRZSA-N	322.405	1.974	50	20	DDGD	
CO[C@H]1CCC[C@H](C(=O)NNC(=O)CNc2ccc(C)cc2)C1	824037361	KVJQUIGNWMLHMG-ZFWWWQNUSA-N	319.405	1.760	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1C[C@H](C)C[C@H]1c1ccccc1	829764307	ZYPQPGRKAGVQJG-HIFRSBDPSA-N	303.406	1.873	50	20	DDGD	
N#C/C(=C\c1ccc(N2CCOCC2)c(F)c1)C(=O)NC1CC1	727264532	VQXLCQZCWNUVFN-UKTHLTGXSA-N	315.348	1.848	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1ccc(Cl)nc1	728078589	LSSBJSFESPKKPF-UHFFFAOYSA-N	316.708	1.937	50	20	DDGD	
COc1ccc(F)cc1C(=O)NNC(=S)NCC1CCC1	727866207	VOQRXNWQXJYYEV-UHFFFAOYSA-N	311.382	1.743	50	20	DDGD	
COC(=O)N1CC(NC(=O)[C@H](Br)C(C)(C)C)C1	492391690	POFDGMCKXYNGQD-QMMMGPOBSA-N	307.188	1.363	50	20	DDGD	
CCc1cccc(C(=O)NNC(=O)NCCc2cccs2)n1	825421020	BIXIASOJYVBTQB-UHFFFAOYSA-N	318.402	1.892	50	20	DDGD	
CC(C)(O)[C@H](Oc1ccccc1)C(=O)NNC(=O)C1CCC1	827215860	FVTYXRMFTMOKPI-CYBMUJFWSA-N	306.362	1.152	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNC(=O)c1ccc(OC)c(OC)c1	491316006	RRPVYXSUURVXMP-GFCCVEGCSA-N	319.361	1.450	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H]2CCCCN2C)cc1	824189796	LTUVTVMIECHPHR-AWEZNQCLSA-N	305.378	1.330	50	20	DDGD	
CC(C)C[C@H](NC(=O)O)C(=O)NNc1ncccc1[N+](=O)[O-]	824299413	JAAQJNYNGWQBBG-QMMMGPOBSA-N	311.298	1.115	50	20	DDGD	
CCN(C)C(=O)c1cccc(C(=O)NNC(=O)C2CCCC2)c1	729176654	KPATYJYXPABTTA-UHFFFAOYSA-N	317.389	1.730	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@@H](C2CCCCC2)C1	585007979	RBEMPAQEKRKOOL-CQSZACIVSA-N	319.185	1.548	50	20	DDGD	
CC[C@@H](C)c1nc(C)c(CC(=O)NN(C)[C@H](C)CO)c(C)n1	823913342	SBHAJNQHDWEBHC-GHMZBOCLSA-N	308.426	1.493	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CCc2ccncc2)cc1	728204751	NGAUYKPBMQWFFR-UHFFFAOYSA-N	312.373	1.582	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)[C@@H](C)c1cccs1	827315047	NDHBUNTXRZKKMU-DCAQKATOSA-N	311.407	1.907	50	20	DDGD	
CCCN(CC(=O)NNC(=O)C(C)C)Cc1ccc(OC)cc1	827537905	PTSFGAZFEWUDQD-UHFFFAOYSA-N	321.421	1.711	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNC(=O)COc1ccc(OC)cc1	820630230	LDGFSPNPERZCQW-LBPRGKRZSA-N	319.361	1.206	50	20	DDGD	
COc1ccccc1[C@H](C)CC(=O)NNC(=O)NCC1CC1	728519110	SWACBYAXVRBGOM-LLVKDONJSA-N	305.378	1.929	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)cc1)c1cccc(N2CCCC2)c1	585029249	XNMNAVQBUOOPFN-HNNXBMFYSA-N	324.233	1.817	50	20	DDGD	
CCn1c(O)nc2cc(C(=O)NNC(=O)C(C)(C)C)ccc21	822244041	IYZYZCHCILWAAF-UHFFFAOYSA-N	304.350	1.569	50	20	DDGD	
COC(=O)c1cc(CNS(=O)(=O)CCl)ccc1OC	820783505	BHCUMVOPOBFLJP-UHFFFAOYSA-N	307.755	1.098	50	20	DDGD	
C[C@]1(C(=O)NCCNc2ccc(C#N)cn2)C[C@H]1Br	906066077	IMBRESNURRMAJX-MFKMUULPSA-N	323.194	1.655	50	20	DDGD	
CCOc1ccccc1CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C	825747873	AZRVJUBDHYXPTE-AAEUAGOBSA-N	321.377	1.341	50	20	DDGD	
CN(C(=O)c1cccc(B(O)O)c1)[C@@H]1CCC[C@@H]1c1ccccc1	585000151	ZONGEJXDJHARQB-QZTJIDSGSA-N	323.201	1.775	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H](CO)CC(F)F)cc(C#N)n1C	491008846	JCVFDBPEAHNOTQ-JPOQUURFSA-N	322.315	1.244	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C1CCC1)N1CCc2ccccc2C1	732291624	BVLBQTYFAARXRA-GFCCVEGCSA-N	301.390	1.381	50	20	DDGD	
CN(NC(=O)c1cn(C)nc1C(F)F)C(=O)OC(C)(C)C	496031358	SCWUIHQAOWHOID-UHFFFAOYSA-N	304.297	1.869	50	20	DDGD	
CCCN(CC)C[C@@H](C)NC(=O)/C(C#N)=C/c1cnn(C)c1	491176980	SWCJJZDQXVRNAN-MGMWDDNKSA-N	303.410	1.564	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1scnc1Cl	826449345	NTBXOKQYFCBYSB-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
CC(=NNC(=O)CCNC(=O)OC(C)(C)C)[C@]1(C)CCCO1	496066080	JRFHDXZHNPSNGX-HNNXBMFYSA-N	313.398	1.962	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1ncoc1-c1ccccc1	732552987	GFMNLVPUYSRCPN-UHFFFAOYSA-N	316.317	1.028	50	20	DDGD	
CC[C@H](O)[C@@H](C)C(=O)NNC(=S)NCCc1cccs1	900050143	CRTMKIUCNQWIKH-KOLCDFICSA-N	315.464	1.193	50	20	DDGD	
CCOC(=O)NNC(=O)CCCc1ccc(OC)cc1OC	493855616	XNPODOMEZJDNEU-UHFFFAOYSA-N	310.350	1.804	50	20	DDGD	
O=C(Nc1cccc(F)c1)OC1CN(S(=O)(=O)CCl)C1	831421999	YRBKIUSPRPZHJY-UHFFFAOYSA-N	322.745	1.585	50	20	DDGD	
Cc1cnc(C=NNC(=O)[C@H](C)CN2C[C@H](C)O[C@H](C)C2)s1	834935825	WRAZICCVKJMFOC-UTUOFQBUSA-N	324.450	1.647	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1nc(C(C)(C)C)cs1	731218103	VPPBMJZJRREYLB-UHFFFAOYSA-N	300.384	1.630	50	20	DDGD	
C[C@H]1CCC[C@@H]1NC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836283897	BZKBDBBCRWSGMV-ONGXEEELSA-N	320.349	1.940	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@H](c2ccco2)C1	732206033	QICKDKOVXIIBNM-STQMWFEESA-N	307.394	1.651	50	20	DDGD	
Cc1ccc(-c2ocnc2C(=O)N2CC[C@@H](B(O)O)C2)cc1	585069227	JQYBHVMDQNGGMW-GFCCVEGCSA-N	300.123	1.339	50	20	DDGD	
CCOc1cc(C=NNC(=O)c2cnn(C)c2)ccc1OC	735412197	QGLVGMPEDJUGME-UHFFFAOYSA-N	302.334	1.591	50	20	DDGD	
C[C@H]1C[C@@H](NCc2cccc(B(O)O)c2)CN1Cc1ccccc1	585028189	GFOQKUNAQDLBOW-HNAYVOBHSA-N	324.233	1.119	50	20	DDGD	
CCCCCn1cc(CNCc2cccc(B(O)O)c2)c(C)n1	585033854	HBQWRKOQHBHSAP-UHFFFAOYSA-N	315.226	1.351	50	20	DDGD	
O=C(CN1CC[C@H](C2CCC2)C1)NNC(=O)c1ccccc1	839677551	SRDWOHGZQUEXGB-HNNXBMFYSA-N	301.390	1.570	50	20	DDGD	
CON1CCC(N(C)C(=O)[C@@]2(C)C[C@@H]2Br)CC1	909568278	AHNWJFPHJHGZON-JQWIXIFHSA-N	305.216	1.644	50	20	DDGD	
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NNc1ncc(F)cc1F	909546209	VSIMUMQBPOFMOL-VHSXEESVSA-N	313.304	1.782	50	20	DDGD	
CC[C@H]1CCC[C@H]1C(=O)OCC(=O)NNC(=O)c1ccccc1	837844890	WEMHSLRYGWJPJT-GXTWGEPZSA-N	318.373	1.817	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CC(n3cncn3)C2)cc1	732759098	JUAJZUFNLHDAMQ-AUWJEWJLSA-N	323.356	1.667	50	20	DDGD	
CN(CC(=O)NNc1cc(C(F)(F)F)ccn1)C(=O)C1CC1	832962870	MKZVIDQEHKSXSH-UHFFFAOYSA-N	316.283	1.412	50	20	DDGD	
CO[C@H](C=NNC(=O)CNc1ccccc1)C1CCOCC1	834920372	JVZAWSPZXJEQBH-OAHLLOKOSA-N	305.378	1.642	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c2[nH]ncc12	831457389	WDXYUEAODXYNQS-NXEZZACHSA-N	317.349	1.449	50	20	DDGD	
CN1CC[C@H](NC(=O)NNc2ccc(F)cc2Cl)C1=O	919757951	JFAZOHSZPGZEQU-JTQLQIEISA-N	300.721	1.336	50	20	DDGD	
COc1ccc(NNC(=O)C(C)(C)NC(=O)O)cc1Cl	833733678	YJIOPHRFBHMQGO-UHFFFAOYSA-N	301.730	1.838	50	20	DDGD	
C[C@H]1CCC[C@]1(C)C(=O)OCC(=O)NNC(=O)c1ccccc1	837939027	DHXALCPQTHBIPI-SJCJKPOMSA-N	318.373	1.817	50	20	DDGD	
CN(C)C(=O)NNC(=O)CCC(C)(C)NC(=O)OC(C)(C)C	737819825	ULXASKALVQWFPB-UHFFFAOYSA-N	316.402	1.372	50	20	DDGD	
Cc1ccc(CC=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1	834943670	DQVZDVKHCFOOOQ-CYBMUJFWSA-N	309.391	1.010	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(C(=O)O)c1)[C@@H]1CCCOC1	833520466	CQPNKKJAHBEDTI-CMPLNLGQSA-N	307.350	1.826	50	20	DDGD	
COCCCCCNC(=O)NNC(=O)Nc1ccc(OC)cc1	836265691	QNCCLOXNMMUMQE-UHFFFAOYSA-N	324.381	1.848	50	20	DDGD	
Cc1ccsc1CCNC(=O)NNC(=O)[C@H]1CCCCO1	836386295	VIYYXUHMNIUDND-LLVKDONJSA-N	311.407	1.499	50	20	DDGD	
COc1ccc(CCNC(=O)NNC(=O)C2CCCC2)cc1	915883149	BZBDLMLHGOXFDP-UHFFFAOYSA-N	305.378	1.758	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cnc3onc(C)c3c2)n1	741984920	MSEXTCAMEXJCIO-UHFFFAOYSA-N	311.301	1.309	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccc(Cl)nc1F	912109935	ZWYRRCGDVAAVQY-UHFFFAOYSA-N	316.789	1.783	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1ccc(O[C@@H]2CCOC2)cc1	849178114	UTWRSFVFVLKPCH-HFQYIWAZSA-N	317.341	1.951	50	20	DDGD	
N[C@@H]1CCC[C@@H](NC(=O)NNC(=O)c2cccc(Cl)c2)C1	841981831	KORUCUXVNAHLAN-VXGBXAGGSA-N	310.785	1.554	50	20	DDGD	
COC(=O)[C@@H](Cc1ccc(F)cc1)NNC(=O)[C@H]1CCCCO1	842151628	VAKDOMFCPPUPDE-ZIAGYGMSSA-N	324.352	1.100	50	20	DDGD	
Cc1ccc(NNC(=O)NCCc2ccccc2[N+](=O)[O-])nn1	743672877	JTQCHCCSQGCFFP-UHFFFAOYSA-N	316.321	1.562	50	20	DDGD	
CC(CCc1ccc(F)cc1)=NNC(=O)C(=O)N1CCCC1	748136398	HMFNGSCDKSIFPH-UHFFFAOYSA-N	305.353	1.873	50	20	DDGD	
CC(=NNC(=O)c1nnc(O)c2ccccc12)c1cccnc1	916318540	SIUXCYRJNDZWGR-UHFFFAOYSA-N	307.313	1.884	50	20	DDGD	
CC(C)(C)OC(=O)c1ccc(C(=O)NNC(=O)NC2CC2)cn1	845298887	JAXZHJJBQYRJMW-UHFFFAOYSA-N	320.349	1.143	50	20	DDGD	
COC[C@@](C)(O)C(=O)NNc1cccc(Br)c1	748030003	GVNICDLJHJULAN-LLVKDONJSA-N	303.156	1.290	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=C1C[C@@H](C)n2ncnc21	841606647	IXLLVBZWBSLALW-SECBINFHSA-N	309.333	1.333	50	20	DDGD	
NC[C@@H]1CC[C@H](NC(=O)NNc2cc(F)c(F)c(F)c2)C1	842009334	AVUGULQLCPFTGV-SFYZADRCSA-N	302.300	1.857	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H](C)c2csnn2)cc1	840458587	JBBUIADCIPZVDK-VIFPVBQESA-N	319.390	1.806	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(C#N)cc2)c(C)c1	742058317	XRXGJXHBUYKNQG-UHFFFAOYSA-N	309.325	1.950	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2cccc([N+](=O)[O-])c2)ccn1	748008038	BEQYDGCFOZTHAB-UHFFFAOYSA-N	316.273	1.533	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)C2(N(C)C)CCC2)c1	843871045	UXGQMHYVIHWYAU-UHFFFAOYSA-N	319.409	1.708	50	20	DDGD	
CC(=NNC(N)=O)c1ccc(OCC(=O)N2CCCCC2)cc1	916248383	CPCSDPMKPFEDQN-UHFFFAOYSA-N	318.377	1.470	50	20	DDGD	
CC(C)[C@H]1CC[C@H](C)C[C@H]1OCC(=O)NN(C)C[C@H](C)O	910174207	SIRSQOLMORPVDK-BYNSBNAKSA-N	300.443	1.808	50	20	DDGD	
C#CCOc1ccc(C(C)=NNC(=O)[C@H]2CCO[C@@H]2C)cc1	842552078	HBZWSPJYEHIRFN-CJNGLKHVSA-N	300.358	1.964	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1[N+](=O)[O-]	843653878	OULOSQVZHWAWMC-JOYOIKCWSA-N	321.333	1.343	50	20	DDGD	
CCCCOc1ccc(C(C)=NNC(=O)C(N)=O)cc1OC	915934505	BZWGXJGFSOYDMH-UHFFFAOYSA-N	307.350	1.200	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)COc1cccc2cccnc12	747599168	PEEXXXIPEDCKMD-UHFFFAOYSA-N	324.340	1.413	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCCO2)NNC(=O)[C@@H]1CCCCO1	843600393	CBJYIHZJCQKVDK-HNNXBMFYSA-N	318.373	1.271	50	20	DDGD	
COc1cc(C=NNC(=O)Cc2cn3ccccc3n2)ccc1O	747638628	OEGRVWXVMFITPD-UHFFFAOYSA-N	324.340	1.741	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1c(Cl)nc(Cl)n1C	842548876	DGKWNOUUCAZRKB-NKWVEPMBSA-N	305.165	1.602	50	20	DDGD	
Cc1cc(C=NNC(=O)COc2ccc(C)c(C)c2)n(C)n1	841606584	IRDHKISOSACVPM-UHFFFAOYSA-N	300.362	1.874	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1c[nH]c2ccc([N+](=O)[O-])cc12	747750190	KZANNFYJTZATIV-UHFFFAOYSA-N	312.289	1.872	50	20	DDGD	
CCc1cc(NC(=O)NNc2cc(Cl)nc(C)n2)n(C)n1	841637915	LXDAYGLTWXVMOY-UHFFFAOYSA-N	309.761	1.883	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(F)cc2)[C@H](C)[C@@H]1C	842167880	XRBUYNSINQOMCU-IJLUTSLNSA-N	307.369	1.563	50	20	DDGD	
CC(C)C[C@@H]1CN(C)CCN1S(=O)(=O)CBr	922025544	JRRCRRPMFOGCFR-SNVBAGLBSA-N	313.261	1.331	50	20	DDGD	
O=C(Cn1nnc2c1CCCC2)NNC(=O)Nc1ccccc1	848044297	HCOYKQBTPXRUGJ-UHFFFAOYSA-N	314.349	1.010	50	20	DDGD	
Cc1[nH]c2ccccc2c1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843978219	WKHSXGCPRRNXPZ-QWRGUYRKSA-N	301.346	1.662	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=Cc1nccn1CC	755510840	LWINLYFFQZWLTL-UHFFFAOYSA-N	316.361	1.831	50	20	DDGD	
CC(C)[C@@H](CO)NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	852400711	USFBXEBFWIEHQN-CQSZACIVSA-N	321.421	1.945	50	20	DDGD	
COc1ccc(C#N)cc1NC(=O)NNC(=O)C1CCCC1	756279557	UREWHNJGHPXGOF-UHFFFAOYSA-N	302.334	1.910	50	20	DDGD	
COC(=O)c1ccc(C(=O)NC[C@]2(C)C[C@H]2Br)[nH]1	857388470	SONJHDMTDKELME-SKDRFNHKSA-N	315.167	1.705	50	20	DDGD	
CCc1nocc1C(=O)NNC(=O)c1cccc(N(C)C)c1	854263331	DDGITKOLPYOHCI-UHFFFAOYSA-N	302.334	1.378	50	20	DDGD	
C[C@H](CCc1ccco1)NC(=O)NNC(=O)c1cccc(F)n1	851922457	AXVYGCFJZMCYFL-SNVBAGLBSA-N	320.324	1.779	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)Cc2ccc(F)cc2)nnc1C	756585097	XDZWVQJEWXGVSR-UHFFFAOYSA-N	317.324	1.628	50	20	DDGD	
COc1c(C(=O)NC[C@]2(C)C[C@@H]2Br)c(C)nn1C	857687800	BJRNDRXVSRRWPV-UFBFGSQYSA-N	316.199	1.640	50	20	DDGD	
CCc1ccccc1C(=O)NN(C)C(=S)NCCCOC	854282362	IMWASVIQRLMOAT-UHFFFAOYSA-N	309.435	1.737	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@]1(c2ccccc2)CCCO1	929428349	DBWSJOYKHZFKEF-INIZCTEOSA-N	321.446	1.986	50	20	DDGD	
C[C@@](O)(CC(=O)NNC(=O)Cc1ccc(Cl)cc1)C1CC1	755414647	FARAWGNFEDDKBW-OAHLLOKOSA-N	310.781	1.581	50	20	DDGD	
COc1ccc([C@@H]2C[C@H]2C(=O)NNc2nccnc2OC)cc1	854952481	KJGMYFYROZQCPC-QWHCGFSZSA-N	314.345	1.741	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCOc2ccccc2F)o1	752355425	BGVOWZRRSACHTH-UHFFFAOYSA-N	321.308	1.750	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2NC(=O)O[C@@H]2C)c1C	854186767	VXZLRDHLPPUWSE-MWLCHTKSSA-N	322.390	1.118	50	20	DDGD	
COc1cccc(NNC(=O)C(F)(F)c2nccs2)n1	757595930	WHPXGABYHMFXEJ-UHFFFAOYSA-N	300.290	1.782	50	20	DDGD	
Cc1noc(C)c1[C@H](C)C(=O)NNC(=O)c1cccc(F)n1	856423669	APTXQRVBTUPZLH-ZETCQYMHSA-N	306.297	1.390	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(Cl)cn1)N1CCSCC1	856093259	RROWXZAEAJNEPF-SECBINFHSA-N	300.815	1.615	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)COc1ccc(C)c(C)c1	755036584	WXQVKXFNXVUANL-LLVKDONJSA-N	308.378	1.502	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(OCCCOC)nc1	751370093	UGEDHNRNYTVPIX-UHFFFAOYSA-N	324.381	1.241	50	20	DDGD	
CC1=NO[C@@H](C(=O)NNC(=O)Nc2ccc(C)cc2Cl)C1	854380134	ZFNLZHANOIKDMQ-LLVKDONJSA-N	310.741	1.966	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc2c(c1)ncn2C)C1CC1	855097543	SEJDPGSBMHKULO-VIFPVBQESA-N	317.418	1.481	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)COc2ccc(F)cc2)[C@@H]1C	858144819	VIEBUZCNKLKCBA-RSQPEXBXSA-N	324.352	1.411	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)Cc2ncc[nH]2)cc1C	854573117	CRQAWAKPRZCJEF-UHFFFAOYSA-N	302.334	1.581	50	20	DDGD	
CN1CCC(ONC(=O)/C(C#N)=C\c2ccc(O)cc2)CC1	854358037	PVUWOGDGNVVUJE-RAXLEYEMSA-N	301.346	1.441	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21	858703704	APRXBTOCBUMCQH-YBPUZQHNSA-N	303.366	1.178	50	20	DDGD	
CSSCCNC(=O)c1ccc(S(C)(=O)=O)nc1	935872261	ALJPIHHCRMTAQK-UHFFFAOYSA-N	306.434	1.226	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@H]1CCN1C1CCCC1	862467377	VSTVIUOCWPSALK-MRXNPFEDSA-N	315.417	1.784	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=CCc1ccc(F)cc1Cl	863187109	XTOHSDSRPNYDPH-UHFFFAOYSA-N	306.746	1.168	50	20	DDGD	
O=C(NNC(=O)c1c[nH]nc1-c1c(F)cccc1F)NC1CC1	769145865	ARBQFUBOEXMTIT-UHFFFAOYSA-N	321.287	1.461	50	20	DDGD	
CN1CC[C@H](N(C)C(=O)[C@H](Br)C(C)(C)C)C1=O	768177427	SKYCFYUJGXXXSA-IUCAKERBSA-N	305.216	1.485	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cnn(C3CCC3)c2)c1	931934831	GGLYNNYEEFVVCK-UHFFFAOYSA-N	309.329	1.555	50	20	DDGD	
COCCN(C)NC(=O)c1cc(O)cc(Br)c1	861657005	JBWAYRVTAKEBSY-UHFFFAOYSA-N	303.156	1.378	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCCc2ccccc2)c(C)nn1	767397089	VWEPMIVZLRJHRT-UHFFFAOYSA-N	312.373	1.877	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)CC(C)(C)CCl)CC[S@](=O)C1	867193599	QCBPUKHEMDGENL-QGHHPUGFSA-N	315.888	1.282	50	20	DDGD	
Cc1nn(CC(=O)OC(C)C)c(C)c1C=NNC(=O)NC(C)C	768365603	WFDMKFUPAUFRBL-UHFFFAOYSA-N	323.397	1.493	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CN(C)C2CCC2)cc1	863927062	ANNXWLQKLNTFKU-UHFFFAOYSA-N	305.378	1.330	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCc1ccc(O)cc1O	867416723	GVZAJCUERFNIPK-UHFFFAOYSA-N	307.799	1.782	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNc2nccnc2OC)o1	764470159	PQXJEXVXFCPJMA-UHFFFAOYSA-N	319.365	1.677	50	20	DDGD	
CO[C@]1(CNC(=O)NNc2cccc([N+](=O)[O-])c2)CCOC1	764805388	VPCYWSRJRBWRMH-ZDUSSCGKSA-N	310.310	1.026	50	20	DDGD	
CCn1nccc1C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)OC)c1	776314221	GYZXBOCQNLYUCU-UHFFFAOYSA-N	319.273	1.817	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)C(C)(C)CO	873853908	OLEQBHFYQHQQMW-UHFFFAOYSA-N	309.435	1.894	50	20	DDGD	
CC(C)[C@H]1CC(=NNC(=O)Cc2cc(O)nc(S)n2)CCO1	776764136	RZGQONQANVYEEA-LLVKDONJSA-N	324.406	1.321	50	20	DDGD	
CNC(=O)CCCCC(=O)NNC(=S)Nc1cccc(C)c1	873775957	VMORHGQLIOKFAT-UHFFFAOYSA-N	322.434	1.619	50	20	DDGD	
CC(=O)NNC(=O)c1ccccc1NC(=O)c1cccs1	875554576	TYQNJQYMDKJBMP-UHFFFAOYSA-N	303.343	1.781	50	20	DDGD	
CO[C@H](C)CCNC(=O)NNC(=O)c1nc2ccccc2s1	872879719	LBCOVQDIJKKHAU-SECBINFHSA-N	322.390	1.665	50	20	DDGD	
C[C@@H]1CC[C@@H](C(=O)NNC(=O)CNC(=O)c2cccs2)C1	776317522	UCXWXZRTUOOING-NXEZZACHSA-N	309.391	1.062	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1F)[C@H]1CN2CCCN1CC2	871270937	ATQYBMMGIMBRHW-CYBMUJFWSA-N	312.776	1.312	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C	875496216	FKCKEDQVKPQDGR-GXTWGEPZSA-N	320.393	1.419	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@H]1CCC[C@H]1OC	774717051	NODVJUHASHBZJJ-DGCLKSJQSA-N	321.377	1.454	50	20	DDGD	
CSc1cccc(C)c1NC(=O)C(=O)NNC(=O)C1CCC1	770770634	AZJDXRHGBLFLMG-UHFFFAOYSA-N	321.402	1.603	50	20	DDGD	
N#Cc1cccc(NNC(=O)C(=O)Nc2ccc(Cl)cn2)c1	773575687	BDODZDAFVOYGDR-UHFFFAOYSA-N	315.720	1.688	50	20	DDGD	
Cc1cccc([C@@H](CC(=O)NNc2ccccn2)NC(N)=O)c1	777473792	MVEHUYCHVOIADE-CYBMUJFWSA-N	313.361	1.633	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cccc([C@H]2CCOC2)c1	887145368	BDHRTXOITHYPQZ-HNNXBMFYSA-N	300.358	1.755	50	20	DDGD	
CCOC(=O)c1cnc(C)c(NC(=O)NNc2cnccn2)c1	779080876	DQVMKVLWWHPLHQ-UHFFFAOYSA-N	316.321	1.505	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)CCc2ccccc2O)c(C)c1	779907737	UHIYZRVAKUFIBV-UHFFFAOYSA-N	313.357	1.798	50	20	DDGD	
Cc1noc(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)n1	773952442	IVWNCDSEAJCJCK-UHFFFAOYSA-N	320.696	1.838	50	20	DDGD	
CCNC(=O)N(C)NC(=O)/C=C(\C)Cc1ccccc1OC	780710968	GBCOIGUHBOYPDP-VAWYXSNFSA-N	305.378	1.877	50	20	DDGD	
C[C@@H]1CCCC[C@H]1CCNC(=O)NNC(=O)c1cccnn1	883413060	YBPGIKAIQHSXTR-NEPJUHHUSA-N	305.382	1.637	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)c1cncs1	787433352	GZRXFGOFEPIZOL-UHFFFAOYSA-N	310.766	1.941	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNc2ccccc2C(=O)OC)C1	780732660	WAQUQJQGDBROBZ-NSHDSACASA-N	319.361	1.175	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1cc2c(cc1[N+](=O)[O-])OCCO2	786043226	UTNCNLYCYIAHHO-YHYXMXQVSA-N	324.314	1.665	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ncc(F)cn2)ccc1F	784958240	XTOOYYIDJDSFNI-UHFFFAOYSA-N	307.260	1.145	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccc(F)cn2)c1O	784626097	TWRQAMBGOKZMFT-UHFFFAOYSA-N	305.265	1.010	50	20	DDGD	
CN1CCC[C@H]1c1cc(C(=O)NNc2cccc(C#N)c2)n[nH]1	897149327	ADMSKJHLSDQPSB-HNNXBMFYSA-N	310.361	1.805	50	20	DDGD	
C[C@]1(C(=O)N[C@H]2Cc3cnccc3NC2=O)C[C@H]1Br	1123978707	XMRSVYDWPLWBEZ-CWSCBRNRSA-N	324.178	1.235	50	20	DDGD	
Cc1cc(C=NNC(=O)CCNC(=O)OC(C)(C)C)sn1	785460755	DVRYUWVWKUQGIF-UHFFFAOYSA-N	312.395	1.816	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@H]2CCc3nccn3C2)o1	786845205	LQXZTHMGJLJLAV-JTQLQIEISA-N	314.349	1.572	50	20	DDGD	
CCOc1cccc(NC(=O)NNc2cc(Cl)nc(N)n2)n1	789199024	RKIFZJQEPVZZTC-UHFFFAOYSA-N	323.744	1.655	50	20	DDGD	
CCCN(C)C[C@H]1CCN(S(=O)(=O)CBr)C1	782457890	GHAONNDJVKAJAW-SNVBAGLBSA-N	313.261	1.332	50	20	DDGD	
Cc1noc(C)c1C(C)(C)C(=O)NNC(=S)NC(C)(C)C	899997594	ZPVGCPYIYZFZND-UHFFFAOYSA-N	312.439	1.863	50	20	DDGD	
O=C(NC[C@@H]1C[C@@H]2CC[C@H](C1)N2)NNC(=O)c1ccccc1	892607747	YPLMTFRRTPBYEY-UBSAEIQESA-N	302.378	1.161	50	20	DDGD	
C=CCOc1cccnc1C(=O)NNC(=O)c1cccc(C)n1	794077479	WKTYUFJMFWACHB-UHFFFAOYSA-N	312.329	1.425	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)c2ccc(O)c(O)c2)o1	794557830	QVBDAECULAEMNQ-UHFFFAOYSA-N	304.258	1.241	50	20	DDGD	
C[C@H](Oc1ccc(C=NNC(=O)[C@H]2CCOC2)cc1)C(=O)O	794940487	WKQIKEARUSTKGD-JQWIXIFHSA-N	306.318	1.025	50	20	DDGD	
Cc1cc(=NNC(=O)c2cc([C@@H]3CCCN3C)[nH]n2)cc[nH]1	899129069	XEXHEOFEFDBRAA-AWEZNQCLSA-N	300.366	1.059	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)NCC(F)(F)F)c2ccccn12	798314803	BJFLJLZMQKRHEM-UHFFFAOYSA-N	315.255	1.149	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)c1csc(O)n1	792143166	HTHUWYJYPNMCAS-UHFFFAOYSA-N	316.342	1.265	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1cnn2cccnc12	798309710	CGRRVBGXRNPCFE-UHFFFAOYSA-N	310.317	1.504	50	20	DDGD	
CCc1occc1C(=O)NNC(=O)COc1ccccc1O	797622849	XBPFCBCBWDCUON-UHFFFAOYSA-N	304.302	1.388	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)Cc1cnn(C)c1	798143256	KZNAXOBJZCLKFK-UHFFFAOYSA-N	308.773	1.673	50	20	DDGD	
C[C@H](CBr)COC(=O)C1(S(C)(=O)=O)CCC1	796186314	RJWVOASNRSSXKV-MRVPVSSYSA-N	313.213	1.528	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cccc([S@@](C)=O)c2)n1	794085042	ZKAFHKLDPULPSF-JOCHJYFZSA-N	317.370	1.202	50	20	DDGD	
O=S(=O)(NC[C@@H]1CCOC1)c1ccc(CCCl)cc1	37843539	SSBWWETVONLEJB-LBPRGKRZSA-N	303.811	1.783	50	20	DDGD	
Cc1ccc(C(=O)NCC(=O)NNC(=O)CC(C)(C)C)s1	1318245340	FREFERQVQLMHCH-UHFFFAOYSA-N	311.407	1.370	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccccn2)cnn1-c1ccncc1	1319669457	VWQKNUBTSWJUIB-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
O=C(CCl)NC[C@H](c1cccc(F)c1)N1CCOCC1	1319923486	LTKVCROXXCDLMC-CYBMUJFWSA-N	300.761	1.554	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1ncoc1[C@@H]1CCCO1	1320650099	RKUFHMAYAKQPRH-QMMMGPOBSA-N	309.713	1.726	50	20	DDGD	
Cc1cc[nH]c1C(=O)NNC(=O)c1cncn1-c1ccccc1	1321591510	CIMSFMCVRZVSQV-UHFFFAOYSA-N	309.329	1.584	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)C(=O)Nc2ccccc2)nn1	1320598561	ZKMWXPIWSYXENZ-UHFFFAOYSA-N	313.361	1.856	50	20	DDGD	
C[C@@H](NCC(=O)NNC(=O)C1CC1)c1nc(C(C)(C)C)cs1	1323796131	IXLLQSCQBHHYAN-SECBINFHSA-N	324.450	1.649	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccc(OCC(F)(F)F)cc1	1320347583	RLJOWVCIZLSNQD-UHFFFAOYSA-N	321.255	1.163	50	20	DDGD	
CC(C)Cc1nc(C(=O)NNC(=S)NC(C)C)cs1	1322111578	VTJXJVRCFOCKRS-UHFFFAOYSA-N	300.453	1.859	50	20	DDGD	
CC(=O)c1cccc(O[C@@H](C)C(=O)NNC(=S)NC(C)C)c1	1251337277	FFBSSFKJUYUCRH-NSHDSACASA-N	323.418	1.560	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)NCc2ccco2)C[C@@H]1Br	1331068408	SVPMYADFIXNEQV-CABZTGNLSA-N	315.167	1.186	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)C1CCOCC1)CCO2	1333664278	GEOLTCTVTHFFPK-UHFFFAOYSA-N	304.346	1.725	50	20	DDGD	
CC1(C)CCN1C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1334704512	VHHQRXKELHRLDM-QPUJVOFHSA-N	303.200	1.287	50	20	DDGD	
Cc1conc1NC(=O)NNC(=O)COc1ccc(C#N)cc1	1337815468	MDBAQDQMJCNTLK-UHFFFAOYSA-N	315.289	1.086	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1F)c1ccc(F)cc1Br	1345642585	LVJSHQFAYMVVPX-APPZFPTMSA-N	319.105	1.707	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(C(C)=O)o2)cc1	1343898089	JNIZHZJVDWFCBH-UHFFFAOYSA-N	302.286	1.566	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNc1ncccc1F)c1cnn(C)c1	1344545205	BJKJIIIYSGIPRL-GFCCVEGCSA-N	306.345	1.978	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccn(CCC(F)(F)F)n1	1527382232	HCPCOLJKJCSABB-UHFFFAOYSA-N	321.328	1.130	50	20	DDGD	
Cc1c(NNC(=O)N[C@H](C)c2cn[nH]c2)cccc1C(=O)O	1607553405	SABQZQFPGJBIFE-SECBINFHSA-N	303.322	1.804	50	20	DDGD	
O=C(Cc1ccccc1O)NNC(=O)c1ccsc1C(=O)O	1601369456	IRWXACOSKDYUOW-UHFFFAOYSA-N	320.326	1.156	50	20	DDGD	
O=C(COc1cccnc1)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1601345371	DQEWAVDLAPWYAN-UHFFFAOYSA-N	318.241	1.672	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)Nc2ccc(C(=O)O)cc2)cc1	1608209179	ZMONDFYQDNMPNH-UHFFFAOYSA-N	324.296	1.338	50	20	DDGD	
CC(=NNC(=O)c1cccn1C)c1ccc(OCC(=O)O)cc1	1602991174	ZHBLJWUYTKFNQX-UHFFFAOYSA-N	315.329	1.643	50	20	DDGD	
CC(C)(C(=O)O)n1ccc(NC(=O)NNc2ccc(F)cc2)n1	1602843820	ZDFMEKYEKAIILW-UHFFFAOYSA-N	321.312	1.991	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CCCCC(=O)O)c1ccccc1	1602831083	NXNZVKKAZLQSMW-UHFFFAOYSA-N	306.362	1.757	50	20	DDGD	
O=C(NN=C1CCCc2occc21)[C@@H]1CN2CCC[C@H]2CO1	1549319013	FVAZOCDMWMJFHS-NHYWBVRUSA-N	303.362	1.299	50	20	DDGD	
C[C@@H]1[C@@H](C(=O)NN=C2CCCN3CCCC[C@H]23)CCCN1C	1552253710	NVBJBGZESHCMJE-IJEWVQPXSA-N	306.454	1.837	50	20	DDGD	
CN(NC(=O)C(C)(C)C1CCCCC1)C(=O)N1CCNCC1	1578502806	CIPATGJNPXCQPN-UHFFFAOYSA-N	310.442	1.581	50	20	DDGD	
C[C@@]1(C(=O)NNc2c(F)cc(F)cc2F)C[C@@H](N)CCO1	1576349771	ICGIIZURJXEFAN-SDBXPKJASA-N	303.284	1.443	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@H]1C[C@H](C(=O)O)C1)c1ccccc1	1589430428	OCTLDIORCGNDEP-AVGNSLFASA-N	319.361	1.374	50	20	DDGD	
N[C@@H]1CN(S(=O)(=O)CCCCl)C[C@H]1c1ccccc1F	1580394850	FDGSDSLKXOESHQ-WCQYABFASA-N	320.817	1.511	50	20	DDGD	
C/C(=C\c1ccccn1)C(=O)NNc1cccc(-c2nn[nH]n2)c1	1588772071	JLMJPAFBUDBUCN-PKNBQFBNSA-N	321.344	1.808	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc(F)cc(C(=O)O)c1	1589832123	QZVNHWOYBGHAJY-UHFFFAOYSA-N	313.354	1.431	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNc2ccc(C(=O)O)c(F)c2)CC1=O	1595896783	QDFIWYZJQZWXCR-VIFPVBQESA-N	323.324	1.226	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(CCc1ccccc1)CC(=O)O	1596859826	GSAJXAPXUTVOHX-WYMLVPIESA-N	302.330	1.586	50	20	DDGD	
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ccc(C(=O)O)cc1F	1596677336	BOGZQTKSOIVKBW-VHSXEESVSA-N	324.308	1.556	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@@H](C(=O)O)c1ccc(C)cc1	1596864148	QCYNQHVMKDMDHZ-JWAFFJSPSA-N	302.330	1.723	50	20	DDGD	
CCOc1cccc(C=NNC(=O)c2cccc(C(=O)O)c2)n1	1776095159	ISQWTKHFUMFNGJ-UHFFFAOYSA-N	313.313	1.942	50	20	DDGD	
COc1cc(C=NNC(C)=O)cc(Cl)c1O[C@@H](C)C(=O)O	1776015241	SGJXHGWORYUBQK-ZETCQYMHSA-N	314.725	1.671	50	20	DDGD	
O=C(O)c1cnc2c(C=NNC(=O)[C@@H]3CCCCO3)cccn12	1776077739	WGOWQTGQLCKSAM-LBPRGKRZSA-N	316.317	1.052	50	20	DDGD	
CC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(C)=O)C2	1780702465	STGNPAYHANQIOZ-GZBFAFLISA-N	316.829	1.538	50	20	DDGD	
CC/C(=C/C(=O)NNC(=O)C(=O)NC(C)C)c1ccc(C)cc1	158942467	CFVDEIKYJCRLNC-RAXLEYEMSA-N	317.389	1.460	50	20	DDGD	
CC(=O)c1cc(C(=O)NNc2cnc3ccccc3n2)n(C)c1	163451333	IDDIAXIPXFRSCZ-UHFFFAOYSA-N	309.329	1.928	50	20	DDGD	
O=C(CNC(=O)c1ccccc1)NNc1cnc2ccccc2n1	163470264	GWRXMIKQWKAADF-UHFFFAOYSA-N	321.340	1.503	50	20	DDGD	
Cc1cccc(C)c1CCNC(=O)NNC(=O)c1cnn(C)c1	164630257	FTLVGHAKYWIANR-UHFFFAOYSA-N	315.377	1.224	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCOc2ccccc2Cl)[nH]n1	153348552	HGDMLMGJWJXXKM-UHFFFAOYSA-N	322.752	1.602	50	20	DDGD	
CO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1cccc(C#N)c1	153542724	MJQZOWSUICDGDY-CHWSQXEVSA-N	302.334	1.070	50	20	DDGD	
CN1CCO[C@H](C(=O)NNc2ccc(C(F)(F)F)cc2)C1	153663500	JQYZJHDTHXKAQI-NSHDSACASA-N	303.284	1.479	50	20	DDGD	
COC(=O)C1(C(=O)N(C)NC(=O)OCc2ccccc2)CC1	862289970	JUSSYKBBVXASBA-UHFFFAOYSA-N	306.318	1.239	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)Cc2cccnc2)s1	103510464	XFKUWBJGNWNCSZ-UHFFFAOYSA-N	304.375	1.525	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCCc2ccccn2)n1	174482899	LVPIRSBOWBKUOX-UHFFFAOYSA-N	301.350	1.655	50	20	DDGD	
C[C@H]1CCCC[C@@H]1OCC(=O)NNC(=O)Cc1cccnc1	112815249	DYYGUDFEXBTTDL-JSGCOSHPSA-N	305.378	1.367	50	20	DDGD	
CC1(C)[C@H]2CC[C@@]1(C(=O)NNC(=O)c1ccccc1F)C(=O)C2	101103272	SIAHLLHMKFPYOL-BTDLBPIBSA-N	318.348	1.982	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)C(=O)NC1CC1)c1ccccc1Cl	171355152	HOPZUQPUPCDEKT-CMDGGOBGSA-N	321.764	1.169	50	20	DDGD	
CSC[C@H]1CCCN1C(=O)NNC(=O)c1ccc(C#N)cc1	119152560	XDLMPDCHRNFNPN-CYBMUJFWSA-N	318.402	1.740	50	20	DDGD	
Cc1cc(=O)n(C)cc1NC(=O)c1c(C)nn(CCCl)c1C	176186402	WIGQEOLPDNILLH-UHFFFAOYSA-N	322.796	1.998	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	66307512	HMWBCUSKKISDIH-NEPJUHHUSA-N	324.352	1.722	50	20	DDGD	
CC(=O)c1ccc(OCCCC(=O)NNc2ncccn2)cc1	119391595	DKSZNTKLHLVMQE-UHFFFAOYSA-N	314.345	1.982	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc2c(c1)NC(=O)CCS2	21770984	KRYZCVLYWAUXME-UHFFFAOYSA-N	309.347	1.512	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1	68461419	HZASJLPROXJGHS-QWHCGFSZSA-N	309.341	1.296	50	20	DDGD	
Cn1nccc1C(=O)NNC(=O)c1cc(-c2ccccc2)on1	63501617	ZSRLKEREWKTURM-UHFFFAOYSA-N	311.301	1.150	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)on1	113425009	MSRLJEFKMUSOKT-UHFFFAOYSA-N	322.752	1.318	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)CCOCC(C)C	75924936	WZQHYWPFTQNHEM-UHFFFAOYSA-N	322.405	1.838	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)c1cc[nH]c1C	174944065	PRNOEJVYBNQNRB-UHFFFAOYSA-N	317.345	1.562	50	20	DDGD	
O=C(CCc1nc(-c2cccs2)no1)NNC(=O)C1CC1	26969960	PARDMVAJDILUQH-UHFFFAOYSA-N	306.347	1.288	50	20	DDGD	
O=C(Cn1ccc([N+](=O)[O-])n1)NNc1cccc2c1CCCC2	120388539	ZDLJIPOJQNPHBV-UHFFFAOYSA-N	315.333	1.813	50	20	DDGD	
O=C(CCc1nc(-c2ccco2)no1)NNc1ncc(F)cn1	122846653	MBYFRAHAOJTVQL-UHFFFAOYSA-N	318.268	1.335	50	20	DDGD	
CCOC(=O)NNC(=O)C(F)(F)c1ccccc1OCC	122725150	BQFBPBQIILNURX-UHFFFAOYSA-N	302.277	1.954	50	20	DDGD	
COc1ccc(-n2nnc(C(=O)NNc3ccccn3)c2C)cc1	181257642	KGTDCMRBJYRNPM-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	184949866	QQZOXQXRNLARIG-UHFFFAOYSA-N	316.386	1.949	50	20	DDGD	
Cc1ccccc1CCNC(=O)NNC(=O)c1ccccc1O	31024652	CGKWAPKVRHIOSE-UHFFFAOYSA-N	313.357	1.887	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2cc(F)ccc2C)n1	181520610	AVJFITMGINEABY-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
C[C@H]1Oc2ccccc2N(CC(=O)NNc2ccncc2)C1=O	180467510	BORIIKSLVPJETJ-LLVKDONJSA-N	312.329	1.339	50	20	DDGD	
Cn1nccc1CCNC(=O)NNc1cc(F)c(F)cc1F	185000914	ACOJSOREDWSGOA-UHFFFAOYSA-N	313.283	1.706	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@H]1C[C@]1(C)C(C)C	186461175	GGXMTFTWQNYTNI-YVEFUNNKSA-N	320.389	1.904	50	20	DDGD	
CCOCC(=O)NNc1c(F)cc(C(=O)NC2CC2)cc1F	127247330	HRVSLAAAZKGGDJ-UHFFFAOYSA-N	313.304	1.337	50	20	DDGD	
Cc1cc2c(cc1C)[C@H](C(=O)NNC(=O)c1cccnc1)CO2	184724368	WDECGKOCONCCNK-CQSZACIVSA-N	311.341	1.636	50	20	DDGD	
C[S@@](=O)Cc1ccccc1NC(=O)NNc1cnccn1	184329107	UWYSHULGTQSWJW-OAQYLSRUSA-N	305.363	1.504	50	20	DDGD	
CC[C@@H](NC(=O)NNc1nccc(OC)n1)c1ccncc1	74440247	XEBBMPNEURMHCA-LLVKDONJSA-N	302.338	1.658	50	20	DDGD	
CN(C)CCOc1cc(C(=O)NNc2ccccc2F)ccn1	183243192	KWTUDUOIWKSTDU-UHFFFAOYSA-N	318.352	1.918	50	20	DDGD	
CN(NC(=O)c1cnc(Cc2ccccc2F)s1)C(N)=O	185888543	BHBWSBXUGIEJBK-UHFFFAOYSA-N	308.338	1.528	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccc(Cl)s1	48831996	XMVSYIZZSBYPLD-UHFFFAOYSA-N	301.677	1.908	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Cc1cccc(Cl)c1Cl	193013530	UCVZKSCDPFHTRV-UHFFFAOYSA-N	304.177	1.245	50	20	DDGD	
COc1cccc(C(=O)NNc2cc(C)nc(C)n2)c1[N+](=O)[O-]	193225531	CZYIAZJMKLPXRG-UHFFFAOYSA-N	317.305	1.767	50	20	DDGD	
CN(C)Cc1c(C(=O)NNC(=O)C(C)(C)O)oc2ccccc12	190075888	NMLPXZODIQKVQH-UHFFFAOYSA-N	319.361	1.026	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccc(C(F)(F)F)cn2)c(=O)[nH]1	132357101	DIHFUYYFDKTLLM-UHFFFAOYSA-N	312.251	1.854	50	20	DDGD	
CN(CCO)c1ccc(C=NNC(=O)c2ccc(O)cc2)cc1	252452698	WUQSYPLMEDXCOO-UHFFFAOYSA-N	313.357	1.585	50	20	DDGD	
CCCOc1cccc(CC(=O)NNC(=O)NCCCOC)c1	269305220	FSJJBYPXDOSZEG-UHFFFAOYSA-N	323.393	1.385	50	20	DDGD	
Cc1cc(NNC(=O)c2csc(NC3CC3)n2)nc(C)n1	269182690	BXIKCIWIDFEDOI-UHFFFAOYSA-N	304.379	1.881	50	20	DDGD	
CC(=O)N1CC[C@@](C)(C(=O)NNc2ccc([N+](=O)[O-])cc2)C1	366347456	RVOLLJAVJSGAGT-CQSZACIVSA-N	306.322	1.296	50	20	DDGD	
CC(=O)NNC(=O)[C@@H]1CCCN1c1ncnc2sc(C)cc12	269333465	YNYJKYWTKUGDDZ-NSHDSACASA-N	319.390	1.136	50	20	DDGD	
CCC1(C)CCN(CC(=O)NNC(=O)c2ccccc2)CC1	263768331	VZHQFJSHWARCEO-UHFFFAOYSA-N	303.406	1.960	50	20	DDGD	
COc1cccc(OC)c1S(=O)(=O)NNC(=O)CC(C)C	274719318	DQEAUMJXLWFFAJ-UHFFFAOYSA-N	316.379	1.059	50	20	DDGD	
CCc1[nH]nc(C(=O)NNc2cccc(OC)n2)c1[N+](=O)[O-]	272537777	OHRQFKIUMHRNCT-UHFFFAOYSA-N	306.282	1.041	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CCC[C@@H]1CCO	275346374	IRFTWLBDJRVSJJ-TZMCWYRMSA-N	305.378	1.490	50	20	DDGD	
CCCC[C@H](NNC(=O)COc1ccc(C#N)cc1)C(=O)OC	270564854	LAOZNMFDXSEXBW-AWEZNQCLSA-N	319.361	1.290	50	20	DDGD	
CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC=C(C#N)CC2)c1	273845706	MSRARCLXVPGBSK-UHFFFAOYSA-N	322.361	1.915	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)/C=C/c1ccc[nH]1	276184595	IMBHKFCSZCKAST-JARNTUPDSA-N	322.365	1.089	50	20	DDGD	
CS[C@H](C)CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	270128280	MWALUEQCODFSAV-SKDRFNHKSA-N	310.375	1.115	50	20	DDGD	
C[C@@](O)(CC(=O)NNc1nc(-c2ccncc2)no1)C1CC1	270007818	AQKRFUANLFBHLR-CQSZACIVSA-N	303.322	1.126	50	20	DDGD	
COc1nccnc1NNC(=O)CCc1cccc(N(C)C)c1	279237430	RCLQRXMBLSOTOF-UHFFFAOYSA-N	315.377	1.627	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccccc1C[S@@](C)=O	276015665	JMDLYEADBSEBBW-OAQYLSRUSA-N	312.395	1.263	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(C)c(OC)c(C)c1	271398459	YQSWWOSSESLINU-UHFFFAOYSA-N	309.366	1.293	50	20	DDGD	
COCCC[C@H](C)C(=O)NNC(=O)CNc1ccccc1OC	272162067	DOORUDHTXLNTNX-LBPRGKRZSA-N	323.393	1.317	50	20	DDGD	
CC(C)[C@H](NC(=O)c1ccco1)C(=O)NNc1cccc(F)n1	286140588	CAXYDOPTEFOHCQ-ZDUSSCGKSA-N	320.324	1.711	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H](C)[C@H]2CCCCO2)n1	280216485	IQHIVKCVBMFBKA-DGCLKSJQSA-N	306.366	1.292	50	20	DDGD	
O=C(NC[C@@H]1CCCSC1)NNc1cncc(Cl)n1	288011612	PNJCSMXNFCYPEU-QMMMGPOBSA-N	301.803	1.899	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1CCCCN1Cc1ccccc1	288515428	VOIFVMWESOXXEU-MRXNPFEDSA-N	305.422	1.651	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)Cc1ccc2ccccc2c1)C1CC1	280490086	HAOYRMRWSCBXNC-KRWDZBQOSA-N	312.369	1.955	50	20	DDGD	
COCCOC1CCC(C(=O)NNc2nccc(OC)n2)CC1	280368712	SOJPWTYRJMXOSO-UHFFFAOYSA-N	324.381	1.150	50	20	DDGD	
COc1ccccc1C(=O)NCC(=O)NCCSSC	284056375	LDNGOROGVJKBRI-UHFFFAOYSA-N	314.432	1.552	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc[nH]c1C(C)C	285765353	JADKQRBFTZSHTG-UHFFFAOYSA-N	300.453	1.610	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)n1ccc2ccccc2c1=O	289105075	PZKZFXYVNYLDBA-GFCCVEGCSA-N	315.373	1.756	50	20	DDGD	
O=C(NCCc1ccncc1)NNc1ccc2c(=O)[nH]ccc2c1	806974840	VTMGNDAVFRBLGE-UHFFFAOYSA-N	323.356	1.792	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2O[C@H](C)C[C@H]2C)cc1C	800323698	ZWWQZGVBCDBCOG-XJKCOSOUSA-N	320.389	1.643	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)Cc2ccc(F)cn2)c1	807182517	BVYINUYHGCOMJG-UHFFFAOYSA-N	305.700	1.827	50	20	DDGD	
CC(C)C[C@H]1C[C@@H](NC(=O)NNc2ncncc2F)CCO1	293075279	QVFUVHIKKJAVPS-QWRGUYRKSA-N	311.361	1.836	50	20	DDGD	
N#C/C(=C\c1ccc(O)c(C(=O)O)c1)C(=O)[C@H]1CCCOC1	290015035	WNSDPNNFBAPBFK-DREKTBMASA-N	301.298	1.993	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1c[nH]nc1-c1ccccn1	809982691	WXGARVMSLUEJRS-UHFFFAOYSA-N	321.340	1.855	50	20	DDGD	
C[C@@H]1COCC[C@@H]1CNC(=O)NNc1ncc(F)cc1F	297924057	JDYFEJYBMORSBQ-RKDXNWHRSA-N	300.309	1.659	50	20	DDGD	
C=CCCOCC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802105251	RTNREMHUHAJIOL-UHFFFAOYSA-N	307.306	1.161	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNc2ccccc2S(C)(=O)=O)O1	800516086	CCGIJVIGICBDTG-BREBYQMCSA-N	312.391	1.347	50	20	DDGD	
CC1(C)[C@H]2CC[C@@]1(C(=O)NNC(=O)c1ccccn1)C(=O)C2	294735115	HBGDYQUQHZHUHJ-QFYYESIMSA-N	301.346	1.238	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](CC(=O)NNC(=O)N=c2cc[nH]cc2)CCO1	802033644	HRQUZHUSJSTVGZ-JSGCOSHPSA-N	320.393	1.498	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1nc2ccccc2s1	802033352	VGHZCESPSGIABG-UHFFFAOYSA-N	313.342	1.580	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@](O)(CC)c1cccc(Cl)c1	800462531	HRSKNZFTTZGYND-AWEZNQCLSA-N	313.785	1.678	50	20	DDGD	
Cn1ncc2cc(C(=O)NNC(=O)Nc3ccccc3)cnc21	801991096	IKSFWIBBWLCLKL-UHFFFAOYSA-N	310.317	1.435	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccc(Br)cc1F	816768837	IZUQNCCNYSQSAO-UHFFFAOYSA-N	314.118	1.474	50	20	DDGD	
Cc1cnc(S(C)(=O)=O)nc1C(=O)NNc1ccc(F)cc1	816843803	CGSGNBMGSNFBDE-UHFFFAOYSA-N	324.337	1.085	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCCSC1	811399100	LBZYHHKCFRSEJZ-SNVBAGLBSA-N	304.412	1.066	50	20	DDGD	
CN(C)c1cc(C(=O)NNc2ncncc2F)cc(Cl)n1	817078195	VAIPLLMVLMIOOG-UHFFFAOYSA-N	310.720	1.487	50	20	DDGD	
C[C@@H]1CCCC1=NNC(=O)Nc1ccc(S(N)(=O)=O)cc1	814967653	UBIYJDODVCISRR-SECBINFHSA-N	310.379	1.632	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1ccc2c(c1)OCCCO2	818287828	SMGXZDCRCBAXQI-UHFFFAOYSA-N	312.329	1.792	50	20	DDGD	
CC(C)n1cncc1C=NNC(=O)c1ccnc(N(C)C)c1	819808515	XATSBFWQYAEIOO-UHFFFAOYSA-N	300.366	1.689	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCOCC2)s1)c1cnccn1	818284234	OCBNRKQNLXTDFI-UHFFFAOYSA-N	317.374	1.139	50	20	DDGD	
Cc1nsc(C)c1C(=O)NNC(=O)c1ccc(Cl)nc1	814316206	FJJDCKFENFSNOT-UHFFFAOYSA-N	310.766	1.883	50	20	DDGD	
C=CCc1cc(C(=O)NNc2nc[nH]n2)cc(OC)c1OC	816632405	HFSFTFGOEGIMCU-UHFFFAOYSA-N	303.322	1.307	50	20	DDGD	
C=C(C)C(C)(C)C(=O)NNc1nc2ccccc2c(=O)n1C	819281333	HVOLWLWYAYZAMX-UHFFFAOYSA-N	300.362	1.979	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1CC[C@@H](CC(=O)O)[C@@H]1C	814794167	AAZAQRXGVHWVSP-XPUUQOCRSA-N	310.379	1.640	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NN(C)c2ccccc2)nn1C(C)C	817385468	KLMNYGMNPUEOJE-UHFFFAOYSA-N	315.377	1.879	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)C(C)(C)C(N)=O)cc1C	812720402	FMSIWTJQKFPDMI-UHFFFAOYSA-N	307.350	1.126	50	20	DDGD	
C=CCOCC(=O)NNC(=O)COc1cc(C)ccc1C(C)C	729297545	PXERLEWTMQTMDE-UHFFFAOYSA-N	320.389	1.847	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)c1	827883486	IOUMQCHMZIXWHC-COPLHBTASA-N	308.403	1.969	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NN=c2sc3ccccc3n2C)CO1	827607942	UKKOGFYWFLTTLQ-NXEZZACHSA-N	306.391	1.532	50	20	DDGD	
CN(C)CC1(C(=O)NNc2ncc(Br)cn2)CC1	824306407	DQQRKMPBLYNHTE-UHFFFAOYSA-N	314.187	1.024	50	20	DDGD	
N#Cc1ccccc1/C=C\C(=O)NNC(=S)NCC1CCC1	727865854	BZPBTHVEESNSCB-HJWRWDBZSA-N	314.414	1.867	50	20	DDGD	
C=CCNc1nnc(SCC(=O)NNC(=O)C(C)C)s1	828475010	WQKCUKHFXNBTGO-UHFFFAOYSA-N	315.424	1.032	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(COc2ccccc2F)on1	823935439	RVXGRDSNOMQWON-SNVBAGLBSA-N	323.324	1.350	50	20	DDGD	
O=C(NNC(=O)c1cc[nH]n1)Nc1cc2c(cn1)CCCC2	823502346	PZXPYXOZMQHRII-UHFFFAOYSA-N	300.322	1.150	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc2c(=O)[nH]ccc2c1	824692978	BWDVKFCWVAFJIO-SECBINFHSA-N	302.334	1.727	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)/C=C/C2CCOCC2)nc1	492826490	VFDQSODBNJOXGV-GORDUTHDSA-N	305.334	1.294	50	20	DDGD	
Cn1nc(C(F)(F)F)cc1C(=O)NNC(=O)CC(C)(C)C	825727468	RBFJGAHLJDWQIM-UHFFFAOYSA-N	306.288	1.636	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)/C=C\C1CCOCC1	491885921	QIUFUYNDJZSSHN-SREVYHEPSA-N	304.346	1.439	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)NC1CCCCC1)c1cnccn1	823645741	RBUVRFBNPJFIAE-PKNBQFBNSA-N	303.366	1.543	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(Cc1ccccc1)[C@@H](C)CCO	828615073	UCYVWLLJOVWDFW-AWEZNQCLSA-N	321.421	1.063	50	20	DDGD	
CC(=O)NC[C@H](CC(=O)NNC(=O)CC(C)(C)C)CC(C)C	825726962	CJQRQIARYSQKHT-ZDUSSCGKSA-N	313.442	1.759	50	20	DDGD	
CN(C)CCCCC(=O)NNc1cccc(-c2nn[nH]n2)c1	825858912	AKJNQPBCGNSFDR-UHFFFAOYSA-N	303.370	1.042	50	20	DDGD	
Cc1nnc(CCNC(=O)[C@@]2(C)C[C@H]2Br)s1	908254990	SIJJNCVLQDYJTR-XCBNKYQSSA-N	304.213	1.679	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(F)c2occc12	909550425	ONDQWCZFJKJLAM-MRVPVSSYSA-N	322.292	1.675	50	20	DDGD	
CCC(Cc1ccc(Cl)cc1Cl)=NNC(=O)C(N)=O	730945685	OUICCWDYYHEHAV-UHFFFAOYSA-N	302.161	1.903	50	20	DDGD	
CC(C)(C(=O)NNC(=O)C1CCC1)c1ccc2c(c1)OCCO2	732141033	DYHLEYLGQYNFAI-UHFFFAOYSA-N	318.373	1.683	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2ccc(C(=O)O)o2)ccn1	737374434	PGKINQVBPZSNMF-UHFFFAOYSA-N	302.290	1.203	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)c1ccc(C(=O)O)cc1	738892170	ADBXECDSEMKXNR-UHFFFAOYSA-N	305.315	1.225	50	20	DDGD	
O=C(Cc1coc2cc3c(cc12)CCC3)N1CC[C@H](B(O)O)C1	585073615	CWVQCMDPZYEVHM-AWEZNQCLSA-N	313.162	1.539	50	20	DDGD	
CCC(C)(C)OCC(=O)NNC(=O)COc1ccc(C)cc1	837310161	GNLVDKUJAJGOEC-UHFFFAOYSA-N	308.378	1.726	50	20	DDGD	
O=C(CC1COC1)NNC(=O)c1c(Cl)cccc1Cl	900541213	VZKUKUKRIBXUMR-UHFFFAOYSA-N	303.145	1.791	50	20	DDGD	
O=C(O)NCCC(=O)NNc1ccc(-c2ccccc2)nn1	832599487	PWODIZDUSLIYMI-UHFFFAOYSA-N	301.306	1.244	50	20	DDGD	
CCN(c1ccc(C(=O)N2CC[C@H](B(O)O)C2)cc1)C(C)C	585070293	VJVGDMFRHVLWIR-AWEZNQCLSA-N	304.199	1.610	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C1CCOC2(CCC2)C1	834962968	WZWZEGLNXNNDLA-UHFFFAOYSA-N	316.361	1.017	50	20	DDGD	
CCCCNC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1cnn(C)c1	837970104	XVFFOWQWDYPODO-ZTFCMROMSA-N	304.350	1.175	50	20	DDGD	
C[C@H](CCc1cccc(F)c1)NCc1ccccc1B(O)O	585023317	JRZDUGZKHAUZBO-CYBMUJFWSA-N	301.170	1.616	50	20	DDGD	
Cc1cc(NNC(=O)c2cn(C)nc2-c2cccnc2)ncn1	734256605	NQFDBANYLGLWCN-UHFFFAOYSA-N	309.333	1.337	50	20	DDGD	
CCCCN(C)C[C@@H](C)NC(=O)NNC(=O)[C@H]1CCCCO1	836461308	BYZYMRPETTUKBA-CHWSQXEVSA-N	314.430	1.006	50	20	DDGD	
CCOc1ccc(OC)cc1NCc1ccc(B(O)O)cc1F	585013136	MSPOKTONBFOKHP-UHFFFAOYSA-N	319.141	1.525	50	20	DDGD	
CC[C@H](C)n1ncc(C(=O)N2CC[C@@H](B(O)O)C2)c1C1CC1	585064811	TVHBQQYMJNXVTC-CMPLNLGQSA-N	305.187	1.420	50	20	DDGD	
Cc1ccc([C@H](NC(=O)c2ccc(B(O)O)cc2)C(C)(C)C)o1	584947658	XHEVFXHWFWYPMH-HNNXBMFYSA-N	315.178	1.785	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1ccc([C@@H]2C[C@H]2C)o1	732766568	TWJCOYUDHTXIJX-UMVBOHGHSA-N	319.405	1.821	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)C2CCC2)[nH]c(C)c1C(=O)O	737039643	GHYDQXCRTJNVPE-UHFFFAOYSA-N	307.350	1.535	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cnn(C)c1)c1ccccc1	735417272	SUNDLMXAJKBZGL-SNVBAGLBSA-N	303.391	1.290	50	20	DDGD	
CC[C@H](NC(=O)c1cc(B(O)O)ccc1F)c1nc(C)cs1	584942890	ZDMJWAISWXWTNJ-LBPRGKRZSA-N	322.170	1.152	50	20	DDGD	
C[C@]1(C(=O)NC[C@@H](CO)Cc2ccco2)C[C@@H]1Br	906051027	OIRBOYNPZKZWPF-GAFUQQFSSA-N	316.195	1.720	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(C(F)(F)F)ccn1	900385372	VCBLRZKLRYIYKA-UHFFFAOYSA-N	320.271	1.081	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CCOC[C@@H]1CCCO1	731492921	LUFJKGNQUQXKAS-LBPRGKRZSA-N	322.361	1.042	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc2ccncc12	830109065	CXDZXCNVHISABF-SNVBAGLBSA-N	315.329	1.338	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NCCCSC)cc1	836309389	JDDHBTUPHGEPGV-UHFFFAOYSA-N	312.395	1.784	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)ccnc1Cl	831823362	XYDPDLBDZYMLSH-BDAKNGLRSA-N	312.757	1.621	50	20	DDGD	
COc1ccnc(NNC(=O)c2csc(-c3ccoc3)n2)n1	730999878	GDXLAHTYTSNMCV-UHFFFAOYSA-N	317.330	1.959	50	20	DDGD	
CC[C@H](O)[C@@H](C)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	913824556	UUGGABNXWZQQAN-MFKMUULPSA-N	324.450	1.477	50	20	DDGD	
C[C@H]1[C@H](C)CCC[C@H]1NC(=O)NNC(=O)N=c1cc[nH]cc1	837329521	MXOPWUQKBQQZEI-NTZNESFSSA-N	305.382	1.664	50	20	DDGD	
CCCC[C@H](COC)NC(=O)NNC(=O)[C@@H]1CCCCO1	836314875	VXZRABLGYBXPSW-NEPJUHHUSA-N	301.387	1.091	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc(-c2ccncc2)on1	918690373	QDHMCYVICPCLGI-UHFFFAOYSA-N	319.390	1.644	50	20	DDGD	
CCOCCOCCCC(=O)NNc1cnc2ccccc2n1	832211914	HFNRKCCJEMQTAF-UHFFFAOYSA-N	318.377	1.906	50	20	DDGD	
CC(C)CNC(=S)NNC(=O)Cc1nc2ccccc2n1C	916121809	MWHHCKKGXHLECR-UHFFFAOYSA-N	319.434	1.267	50	20	DDGD	
COc1cc(C(=O)NNc2ncccn2)cc2c1O[C@@H](C)C2	913043958	BIUBPCNLVWWJPL-VIFPVBQESA-N	300.318	1.566	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)c1nccn2ccnc12	743338703	DUNFHJIXUVHOMJ-UHFFFAOYSA-N	304.313	1.456	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1ccc2ncccc2c1	741647860	RRIOJVAKFOPBAW-UHFFFAOYSA-N	307.375	1.590	50	20	DDGD	
CCn1ccc(CC(=O)NNC(=O)Nc2ccc(OC)cc2)n1	846093599	FPXMRRUPYXUYKZ-UHFFFAOYSA-N	317.349	1.307	50	20	DDGD	
CN[C@H]1CCN(S(=O)(=O)c2ccc(CCCCl)cc2)C1	842683461	LEHXQMSRIUDSKJ-ZDUSSCGKSA-N	316.854	1.840	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)O)C1(C)C	848596382	SEEHJMOXIRALQA-OUAUKWLOSA-N	313.398	1.498	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@@H]2CCc3ccccc3C2)n1	845934636	RMOGMHBAHPTPDJ-LLVKDONJSA-N	317.780	1.960	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1csc2c1CCCC2	843971445	BETNIWJYUFFRDR-UWVGGRQHSA-N	308.403	1.813	50	20	DDGD	
COc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)NCC1CC1	840288011	DRFYJBBAUQRYJO-QWHCGFSZSA-N	303.362	1.539	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)c2nc(C)oc2C)cc1	846375818	LJDFAGHTEWZWCC-UHFFFAOYSA-N	303.318	1.764	50	20	DDGD	
C[C@H](CN)CNC(=O)NNc1ccccc1OC(F)(F)F	841961459	BVPREFBRSBFELZ-MRVPVSSYSA-N	306.288	1.806	50	20	DDGD	
CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)[C@H]1C[C@H]2C=C[C@H]1CC2	842526688	ALWWXZJYISXWSR-ZDEQEGDKSA-N	313.423	1.019	50	20	DDGD	
CSSCCNC(=O)N[C@@H]1CCCC(F)(F)[C@H]1O	840371282	PXGVRMPFOQKANY-SFYZADRCSA-N	300.396	1.846	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CN(CC)C2CC2)cc1C	744386116	CBPAFTPSPCAZPJ-UHFFFAOYSA-N	309.435	1.864	50	20	DDGD	
C[C@@H]1CCCCN1[C@H](C)CNC(=O)NNC(=O)c1ccccc1	916449401	ZKJSKFKRBAWAEL-ZIAGYGMSSA-N	318.421	1.894	50	20	DDGD	
C[C@H](Oc1cccc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)c1)C(=O)O	842553190	FKVZFNFNEDPLRH-UHIISALHSA-N	320.345	1.414	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1c[nH]nc1-c1ccc(Cl)s1	910159484	IHJCIGBINNVYMA-SSDOTTSWSA-N	314.798	1.749	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNC(=O)Nc2ccccc2C)CC1=O	840446122	QZGWGWXZEKNWIU-LBPRGKRZSA-N	318.377	1.406	50	20	DDGD	
CC(C)CO[C@H](C)C(=O)NNC(=O)c1c[nH]c2ccccc12	915263481	RBZXJVOROOQVMI-LLVKDONJSA-N	303.362	1.990	50	20	DDGD	
Cc1ncc(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)c(N)n1	749288891	DFRDVTPRSSYTBG-UHFFFAOYSA-N	322.712	1.686	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C(C)(C)C)c(-c2ccncc2)n1	745852931	DABDWCAENKMNIC-UHFFFAOYSA-N	301.350	1.289	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CCO[C@H]2C)ccc1OC(C)=O	842558223	RKIFRTQNENQJKH-GWCFXTLKSA-N	320.345	1.496	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(F)c(F)c(F)c1F	843638633	DAQJFQCAZVJYOO-RITPCOANSA-N	320.242	1.429	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)C2CC2)ccc1OC(C)C	848970341	HRFIPOVTVAGFPV-UHFFFAOYSA-N	304.346	1.847	50	20	DDGD	
O=C(NC[C@H]1CCCN1)NNC(=O)C12CC3CC(CC(C3)C1)C2	841937348	PXZNPZZRKVJDIN-DLUQRMLASA-N	320.437	1.285	50	20	DDGD	
Cc1csc(CCCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)n1	843970666	JDRPHYDIAICTRV-QWRGUYRKSA-N	311.407	1.347	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1CC(=O)NNC(=O)C(C)(C)c1ccccc1	746239102	CSTUFMUUKGFEBV-OKILXGFUSA-N	317.433	1.984	50	20	DDGD	
O=C(NCC[C@H]1CCNC1)NNc1ncnc2ccsc12	841938939	RIWZAHSIRMCWHB-SECBINFHSA-N	306.395	1.317	50	20	DDGD	
Cc1oc(C)c(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c1C	746203873	VTOMJYCRARTLMH-GFCCVEGCSA-N	314.407	1.311	50	20	DDGD	
C[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)c1ccco1	745125371	HFYNDDRDRURQJI-NSHDSACASA-N	316.313	1.388	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCCc1nnc(S)o1	841424745	WDSNVHKBVQBQGH-SSDOTTSWSA-N	322.228	1.827	50	20	DDGD	
C[C@@H](C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)C1CCCC1	750167168	PUGXBTWUMAZKEA-DGCLKSJQSA-N	302.440	1.305	50	20	DDGD	
C[C@@]1(CNC(=O)NCCC2(O)CCC2)C[C@@H]1Br	856856242	REIHIMOLBZEOCK-ONGXEEELSA-N	305.216	1.764	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@]1(C)CCOC1	754017161	BCVMIXQLVXQPHF-BONVTDFDSA-N	310.325	1.167	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1cnn(CC2CC2)c1	756813011	IPIDXKPIBYVDIU-UHFFFAOYSA-N	305.260	1.398	50	20	DDGD	
CN1Cc2ccccc2[C@@H](NC(=O)NNC(=O)C2CCC2)C1	757737428	LCTMEXIUHPZXSC-AWEZNQCLSA-N	302.378	1.304	50	20	DDGD	
CCn1cc(C(=O)C(=O)NNc2ccc([N+](=O)[O-])cc2)cn1	759656068	TYMFEJHOYYIMSF-UHFFFAOYSA-N	303.278	1.137	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1cc(C(F)(F)F)nn1C	853001344	PMDOWYJOZBDOAJ-VMPITWQZSA-N	303.240	1.535	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)NC(=O)NNc1cc(F)cc(Cl)c1	853733864	KQPZWOUOJIUMEF-ZETCQYMHSA-N	323.777	1.538	50	20	DDGD	
CC(CCN(C)C)=NNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C	853374947	WNAROMZMZADIBZ-ZIAGYGMSSA-N	321.425	1.332	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@]1(C)CCOc2ccccc21	929241519	BTHQLEBEEDWFCN-HNNXBMFYSA-N	305.403	1.408	50	20	DDGD	
COC1(C(C)=NNC(=O)CNC(=O)c2cccs2)CCC1	853298760	CELBGMVVHWDYNH-UHFFFAOYSA-N	309.391	1.539	50	20	DDGD	
CSc1c(F)cccc1NC(=O)C(=O)NNC(=O)C1CC1	850410395	LVYXTACQDUXUJL-UHFFFAOYSA-N	311.338	1.044	50	20	DDGD	
CN(C[C@@H]1COCCO1)C(=O)NC[C@@]1(C)C[C@H]1Br	856894903	XHTXBOBOMHVTCI-CKYFFXLPSA-N	321.215	1.217	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(C#N)s2)nc1	759731455	VERZZOBLBCGEJD-UHFFFAOYSA-N	302.315	1.558	50	20	DDGD	
O=C(NCc1ccco1)NN=Cc1cc(O)ccc1[N+](=O)[O-]	751131378	UKWQGSOTTZFYFX-UHFFFAOYSA-N	304.262	1.727	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@H]2CC23CCC3)cn1	759805281	UIYOKRUMVNNSJY-SNVBAGLBSA-N	306.391	1.598	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC(C)(C)[C@@H]1c1ccncc1	854041281	BHRHENGRQQLIHG-RISCZKNCSA-N	304.394	1.410	50	20	DDGD	
CN(C)C(=O)NNC(=O)CSc1nc(-c2ccccc2)no1	755197637	JKKSFYCOOPLFCI-UHFFFAOYSA-N	321.362	1.131	50	20	DDGD	
O=C(NN=Cc1cnc2n1CCC2)[C@H]1COc2ccccc2O1	853260994	AXJCHWMMYFBZHP-CQSZACIVSA-N	312.329	1.119	50	20	DDGD	
Cc1cncc(C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)c1	855831175	IJIMRWDGSYLTHF-UHFFFAOYSA-N	320.393	1.094	50	20	DDGD	
CCO[C@@H](CC(=O)NNc1cc(Cl)nc(N)n1)C(C)C	753453791	JURNLJZRSYHHHC-QMMMGPOBSA-N	301.778	1.607	50	20	DDGD	
C[C@@H]1CCC(=O)CN1C(=O)NC[C@]1(C)C[C@H]1Br	923375238	ZVJCGPAKTXVMOL-UISBYWKRSA-N	303.200	1.923	50	20	DDGD	
COc1cccc([C@H](OC)C(=O)NNC(=O)OC(C)(C)C)c1	854162306	CUFJSRPGTPKTHN-LBPRGKRZSA-N	310.350	1.939	50	20	DDGD	
CC(CC1CCOCC1)=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	853388499	ITRNUNOYDAILEZ-CABCVRRESA-N	309.410	1.158	50	20	DDGD	
Cc1ccccc1COCC(=O)NNC(=O)NCc1ccco1	857708401	PATBWAUZJDTOGC-UHFFFAOYSA-N	317.345	1.635	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1noc2c1COCC2	857873038	UJJWLIMXRLFDDA-UHFFFAOYSA-N	315.198	1.179	50	20	DDGD	
COCCN(C)NC(=O)c1c[nH]c2cc(F)c(F)cc2c1=O	935912967	YKRPDOFKTWAICP-UHFFFAOYSA-N	311.288	1.029	50	20	DDGD	
C[C@](NC(=O)NNC(=O)c1ccc[nH]1)(C1CC1)C(F)(F)F	933580970	WTLNFAKBLWDEHM-NSHDSACASA-N	304.272	1.690	50	20	DDGD	
C[C@@H](NNC(=O)C(=O)NCCCc1ccccc1)C(F)(F)F	862312831	UKYFUCRFJOUWCF-SNVBAGLBSA-N	317.311	1.307	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1	861842803	UTBVRJVQQOHIHN-CQSZACIVSA-N	315.373	1.096	50	20	DDGD	
Cc1nc2n(n1)C[C@@H](NS(=O)(=O)CC(C)(C)CCl)CC2	866716446	OJESPLWKNXAJRC-JTQLQIEISA-N	320.846	1.086	50	20	DDGD	
CC[C@](C)(NC(=O)NNC(=O)c1ccncc1)C(F)(F)F	933521700	JIXSTSBRYFPOSQ-NSHDSACASA-N	304.272	1.757	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)Cc2cc(C)[nH]n2)c(O)c1	767396110	MKESJGVSUHMAPI-UHFFFAOYSA-N	302.334	1.515	50	20	DDGD	
COc1ccccc1[C@H](C)CC(=O)NNC(=O)c1cn[nH]c1	862471981	RIEJWDGNIFLORY-SNVBAGLBSA-N	302.334	1.373	50	20	DDGD	
CCc1cccc2c(C=NNC(=O)CS(C)(=O)=O)c[nH]c12	863188417	DVLJHPWEAOAQSY-UHFFFAOYSA-N	307.375	1.225	50	20	DDGD	
Cc1noc([C@@H]2CCCN(S(=O)(=O)CBr)C2)n1	769933930	KWQXZJJKZQXOAZ-MRVPVSSYSA-N	324.200	1.240	50	20	DDGD	
CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NNc1ccccc1	866862689	BLHWJWFNYIAOAS-LBPRGKRZSA-N	309.366	1.405	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C=NNC(=O)c2c[nH]nc2C)c1C	863093928	HGNGTKYFNLDAAD-UHFFFAOYSA-N	317.349	1.604	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)c2cn[nH]c2)cc1C	862473494	SLUJVEYUDNPBPO-UHFFFAOYSA-N	302.334	1.257	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(OCc2ccccc2)cn1	868242225	GKILWZIXMWQKGO-UHFFFAOYSA-N	315.373	1.884	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)COCc1ccncc1	1117401816	PGDOLENGIHZINR-UHFFFAOYSA-N	313.357	1.378	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cccc(CCCOC(C)=O)c1	765370626	WRSOMDBUCZQDDT-UHFFFAOYSA-N	307.350	1.745	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](CC(C)C)CN1CCCC1	875631263	ZGZCITNTYIXNGR-LBPRGKRZSA-N	300.403	1.409	50	20	DDGD	
O=C(NNc1cccc2cnccc12)[C@H]1CN2CCCN1CC2	765014058	GBPBZNSBALBUHT-MRXNPFEDSA-N	311.389	1.068	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CC(F)(F)F)cc1F	764115444	QITGSRRTHDDTCI-UHFFFAOYSA-N	321.230	1.172	50	20	DDGD	
O=C(NN=C1CCS(=O)CC1)c1cccc(OC(F)F)c1	761810867	VMBMOYGVORWHMM-UHFFFAOYSA-N	316.329	1.916	50	20	DDGD	
CCCOC(=O)c1ccc(NC(=O)NN(C)C(=O)OC)cc1	878237823	QRWUCGNIWFXCOS-UHFFFAOYSA-N	309.322	1.988	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	770575255	PPBGIAQCQIGZCB-XOVPDBADSA-N	306.406	1.775	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc(N2CCOC2=O)c1C	878842937	LUEUEUYWUBMJCU-UHFFFAOYSA-N	322.365	1.566	50	20	DDGD	
CCc1ccc2c(c1)C(=NNC(=O)C1CCOCC1)C(=O)N2	1119304932	VXQXEAUOERGONT-UHFFFAOYSA-N	301.346	1.448	50	20	DDGD	
CCOC(=O)C[C@@H](CNC(=O)NN(C)C(=O)OC)CC(C)C	875693096	SEWDCLRBZVFORC-NSHDSACASA-N	317.386	1.514	50	20	DDGD	
CCCn1cc(C=NNC(=O)COc2cccc(C)c2)nn1	872329096	JSANMOKFBDPURG-UHFFFAOYSA-N	301.350	1.526	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)Cc1c[nH]c2ccccc12)C(C)C	770207190	DELNYXQLFJJZGV-HNNXBMFYSA-N	303.362	1.529	50	20	DDGD	
O=C(NNC(=O)c1nc2ccccc2s1)N[C@H]1CCOC1	872948528	HGZGCFXVCLWAGN-QMMMGPOBSA-N	306.347	1.029	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)c1nccs1	772641539	RPXIQCLSBDYQFP-UHFFFAOYSA-N	310.766	1.941	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	772861057	XXJNYZCFRBYNHG-UHFFFAOYSA-N	316.405	1.880	50	20	DDGD	
CN(NC(=O)c1ccsc1NC(=O)c1ccco1)C(N)=O	778416831	ITTUOGRNHXTKOW-UHFFFAOYSA-N	308.319	1.249	50	20	DDGD	
O=C(NNC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)c1cccnn1	882058241	MGQBAKMJNQZELS-CHISNJGVSA-N	318.352	1.546	50	20	DDGD	
COC[C@H](C)n1ccc(NC(=O)NNc2nccc(OC)n2)n1	779933752	AZIKRDUUUAIQMJ-VIFPVBQESA-N	321.341	1.038	50	20	DDGD	
CC(=O)NC1CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)CC1	776641287	PFEDNWZIMNGELX-UVTDQMKNSA-N	313.357	1.426	50	20	DDGD	
CC(C)(C)N1C[C@H](C(=O)NNc2cc(Cl)ccn2)CC1=O	778450156	SNRWTIDCIHMPTC-SECBINFHSA-N	310.785	1.825	50	20	DDGD	
CCn1nc(NC(=O)NNc2ncc(F)cn2)cc1C1CC1	775661476	HOFQZBFRVCRGKR-UHFFFAOYSA-N	305.317	1.858	50	20	DDGD	
CC(C[C@H](C)CC(C)C)=NNC(=O)[C@@H]1CCS(=O)(=O)C1	779769246	SVGNDCFNJKOCMR-DGCLKSJQSA-N	302.440	1.986	50	20	DDGD	
N#Cc1ccc(NNC(=O)NCCOCC2CCCC2)nc1	889210793	WFTOYZSLELHKAJ-UHFFFAOYSA-N	303.366	1.786	50	20	DDGD	
CC[C@H](CO)C(=O)NNC(=O)Cc1cccc2ccccc12	779734296	UUYWJJKCAHLIDP-GFCCVEGCSA-N	300.358	1.548	50	20	DDGD	
CC(C)c1[nH]nc(C(=O)NNC(=O)c2ccccc2)c1[N+](=O)[O-]	771217936	UZRSVEYTAOZSCG-UHFFFAOYSA-N	317.305	1.516	50	20	DDGD	
CCCCN(CCOC)CC(=O)NNC(=O)c1cccs1	777583842	RYUUJENBKSEPPA-UHFFFAOYSA-N	313.423	1.258	50	20	DDGD	
CC(C)CN(Cc1cnn(C)c1)S(=O)(=O)CCCCl	882246329	FARLVABDGREKJI-UHFFFAOYSA-N	307.847	1.837	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)OCCC(C)C)cc1O	882048264	JRQMVCBORCABFH-GFCCVEGCSA-N	308.378	1.913	50	20	DDGD	
CC(=O)N[C@H](CC1CCC1)C(=O)NNc1nccnc1C(C)C	787587638	SUOPQKWBEVHVHA-CYBMUJFWSA-N	319.409	1.738	50	20	DDGD	
Cn1c(C(=O)NNC(=O)C2CCOCC2)cc2ccccc21	883061963	MWTRZKQHRUIPLJ-UHFFFAOYSA-N	301.346	1.366	50	20	DDGD	
COc1cc(OC)c(OC)cc1NC(=O)NNC(=O)C(C)C	782587619	AQNLBAZTLZSQOP-UHFFFAOYSA-N	311.338	1.521	50	20	DDGD	
NCCCc1cn([C@]2(Cl)C[C@H]2CCBr)nn1	881381536	BNWRRGFIMHDZJW-PSASIEDQSA-N	307.623	1.866	50	20	DDGD	
COc1ccc(C=NNC(=O)CNC(=O)c2cccs2)cn1	780218687	JNTMXZOXNRSDQV-UHFFFAOYSA-N	318.358	1.032	50	20	DDGD	
C=C[C@](C)(CC)C(=O)OCC(=O)NNC(=O)c1cccs1	785756494	AUNNLSBISUXRGD-CQSZACIVSA-N	310.375	1.655	50	20	DDGD	
CCC[C@@H](C(=O)NNC(=O)C1CCOCC1)c1ccccn1	883069646	QEEUMRSUTJYHKZ-CYBMUJFWSA-N	305.378	1.539	50	20	DDGD	
Cc1ccc(CCNC(=O)NNc2ncncc2Cl)cn1	780990600	SLNYXRQXPXJJFE-UHFFFAOYSA-N	306.757	1.702	50	20	DDGD	
COC(=O)c1cccc(CC(=O)NNc2ncncc2Cl)c1	781835756	HUQBRCAREQFZKD-UHFFFAOYSA-N	320.736	1.602	50	20	DDGD	
CSc1ccc(NC(=O)C(=O)NNc2ncc(F)cn2)cc1	784949526	FWMVCHUFIFMYFL-UHFFFAOYSA-N	321.337	1.419	50	20	DDGD	
COC1(C(=O)NNc2ccnc(N(C)C)n2)CCCCCC1	895277355	XFPGPKBAVQGGIJ-UHFFFAOYSA-N	307.398	1.725	50	20	DDGD	
Cc1noc([C@@H]2CC(=O)N(C3CN(C[C@@H]4[C@H](C)[C@@H]4Cl)C3)C2)n1	895888442	FCYLDLGJDMDWNU-PFEFGLNJSA-N	324.812	1.251	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1cccc(O[C@@H](C)C(=O)O)c1	786044064	FNYMNFWWATXNKM-AAIQCTMTSA-N	309.343	1.838	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2c[nH]c3cccc(F)c23)CC1	790179105	SAJKUABTFXHCJP-UHFFFAOYSA-N	303.341	1.598	50	20	DDGD	
CC(C)(C)n1cc(C=NNC(=O)CNc2ccccc2)nn1	790143988	FRPPEYWVPYCFFO-UHFFFAOYSA-N	300.366	1.595	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)CSc1ccc(C)cc1)C1CC1	792020431	DOCODMYLHOEPGN-AWEZNQCLSA-N	308.403	1.660	50	20	DDGD	
COCC(=O)NN=Cc1ccc(OC)cc1Br	794918185	CTNIRDHOKBCLFW-UHFFFAOYSA-N	301.140	1.554	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCC(CC(F)(F)F)CC1	792933922	POHOAHQLVBJPQK-SECBINFHSA-N	309.332	1.597	50	20	DDGD	
Cc1cccc(CCNC(=O)NNC(=O)c2cccc(C#N)c2)n1	792235959	GUQSWJWCTKYZOJ-UHFFFAOYSA-N	323.356	1.448	50	20	DDGD	
Cc1ccc(N2CCOCC2)cc1NC(=O)NNC(=O)C(C)C	797686579	JULUBUPUWVTQPX-UHFFFAOYSA-N	320.393	1.640	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@@H]1[C@@H]1CCCO1	792920950	HHFPMMXEDNJRGA-MJBXVCDLSA-N	311.426	1.212	50	20	DDGD	
Cc1c[nH]nc1C(=O)NNC(=O)Cc1ccc2ccccc2c1	799411420	NOIONBBJFZHDJO-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
COc1cccc(CC(=O)NNc2nncc(N)c2Cl)c1	1319329089	UWIPANTXWWHGRG-UHFFFAOYSA-N	307.741	1.407	50	20	DDGD	
Cn1cc(Cl)c(CNS(=O)(=O)CCCCCl)n1	393452107	UGLRTVLYBMSBNQ-UHFFFAOYSA-N	300.211	1.512	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H](O)C2CCCCC2)cc1	1320878027	UHKORLNGBUGWQC-CQSZACIVSA-N	306.362	1.397	50	20	DDGD	
Cc1ccccc1CCN(C)C(=O)NNC(=O)c1cn[nH]c1	1328732106	XJBOYVKLZMRFBS-UHFFFAOYSA-N	301.350	1.247	50	20	DDGD	
CCOc1cccc(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	1329236069	JXQPTXOCYMUVAS-SMDDNHRTSA-N	321.377	1.341	50	20	DDGD	
CCOCC(=O)NN=Cc1ccc(N2CCN(C)CC2)c(F)c1	1326994667	GXFYDMDGDRERTK-UHFFFAOYSA-N	322.384	1.064	50	20	DDGD	
CCN1C[C@H](NC(=O)NNc2ccc(C(C)(C)C)nn2)CC1=O	1324902167	ICOXUQTUAUFUDE-SNVBAGLBSA-N	320.397	1.021	50	20	DDGD	
CC(C)C(=O)N1CCC(C(=O)NN[C@H](C)C(F)(F)F)CC1	1331789324	BHENNFGBELLVKP-SECBINFHSA-N	309.332	1.453	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCC[C@H]2OC)cc1OC	1339481448	CJDZTKPOBAVCQI-NWDGAFQWSA-N	322.361	1.280	50	20	DDGD	
CCO[C@H](C)C(=O)NNC(=O)c1cncn1-c1ccccc1	1337819747	KMMHAKVCDNRFDC-LLVKDONJSA-N	302.334	1.058	50	20	DDGD	
Cc1cc(=NNC(=O)Nc2cc(C(C)(C)C)nn2C)cc[nH]1	1348259702	OFINCXIKUWQOEF-UHFFFAOYSA-N	302.382	1.992	50	20	DDGD	
CC(=NNC(=O)Cc1ccccn1)c1ccccc1-c1nn[nH]n1	1609061020	WQIGMXNIMILYAA-UHFFFAOYSA-N	321.344	1.345	50	20	DDGD	
CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(N)cc1	1609060903	NDIIXUTXENPKFF-UHFFFAOYSA-N	321.344	1.603	50	20	DDGD	
O=C(NNC(=O)[C@@]1(C(=O)O)CC=CCC1)NC1CCCCC1	1605814584	IKRDJCIVACXPTB-OAHLLOKOSA-N	309.366	1.461	50	20	DDGD	
Cc1oc(C)c(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)c1C	1606173730	FKUXFJTZENTWAN-UHFFFAOYSA-N	313.321	1.537	50	20	DDGD	
CC[C@H](C)CC[C@@H](O)CC(=O)NNc1ccc(C(=O)O)cn1	1609906219	DABGXAROTOAGJH-CMPLNLGQSA-N	309.366	1.800	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc2c(C(=O)O)c[nH]c2c1	1605618184	DVAPWHHBXSGVIW-UHFFFAOYSA-N	320.305	1.055	50	20	DDGD	
C[C@@H](OC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)C(=O)C(=O)O	1604393333	IQAUXQXAQTZVTN-BSFVXNEUSA-N	319.151	1.526	50	20	DDGD	
CCC(=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](Cl)CC)C2	1801625355	RAVONMBRHAEJOF-WRWGMCAJSA-N	314.813	1.621	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)CCc1cscn1	1610288028	UUHSWTKOUKENKH-UHFFFAOYSA-N	321.358	1.926	50	20	DDGD	
CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](F)Cl)sc2C1	1817117243	JJEGDQKBGRIZRI-HZGVNTEJSA-N	305.762	1.609	50	20	DDGD	
C=CC[C@@]1(C(=O)NNC(=O)c2ccc3ccccc3n2)CCCN1	1574896996	DSBOCPBWOFWESM-SFHVURJKSA-N	324.384	1.694	50	20	DDGD	
CN[C@@H](CC(C)C)C(=O)NNC(=O)c1ccc2ccccc2n1	1578754055	FDGPWNDCAWNMGR-HNNXBMFYSA-N	314.389	1.630	50	20	DDGD	
C=C(Cl)C[C@H](N)C(=O)NNc1ccc(Br)nc1	1574857021	KOYNZVHACAULJJ-QMMMGPOBSA-N	319.590	1.757	50	20	DDGD	
C[C@H]1CCN[C@H](C(=O)NNc2cccc(Br)n2)C1	1576746127	YRPAPKINJQUIEK-IUCAKERBSA-N	313.199	1.675	50	20	DDGD	
CC(C)C(=O)N1CC2(CCCN2C(=O)CO[Si](C)(C)C)C1	1844377733	MEXJQDWGIAEHSM-UHFFFAOYSA-N	312.486	1.697	50	20	DDGD	
CC(C)(C(=O)NNc1ncccc1C(=O)O)[C@H]1CCCCO1	1588610021	IYWMQBKNPLBMKI-LLVKDONJSA-N	307.350	1.818	50	20	DDGD	
Nc1ccc(Cl)c(C(=O)NNC(=O)c2ccccc2O)c1	1580447249	WXFQIBOCECTNMR-UHFFFAOYSA-N	305.721	1.703	50	20	DDGD	
Cc1cnoc1C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843364906	LKMMRXMCMQIBJQ-JTQLQIEISA-N	315.732	1.334	50	20	DDGD	
COc1cc(C(=O)NNc2ccc(C(=O)O)cn2)ccc1C	1599355210	JXQARCWRLCODKX-UHFFFAOYSA-N	301.302	1.854	50	20	DDGD	
Cc1cc(=NC(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc(C)[nH]1	1592026985	HXMHKJAQHRKESR-UHFFFAOYSA-N	324.348	1.449	50	20	DDGD	
CO[C@@](C)(C(=O)O)C(=O)NNc1nc2c(C)cccc2s1	1593926067	AKASKWMWMRCUII-CYBMUJFWSA-N	309.347	1.538	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N(CC(=O)O)C1CCC1	1594602751	ZAZAUVAXGLPOKX-WQLSENKSSA-N	300.314	1.765	50	20	DDGD	
CSc1nccnc1C(=O)NNc1cccc(F)c1C(=O)O	1599829639	DNWAKXVRVZXKLM-UHFFFAOYSA-N	322.321	1.793	50	20	DDGD	
COCC(=NNC(=O)C(=O)O)c1cccc(C(F)(F)F)c1	1599140570	CPMRPQJARYIXHP-UHFFFAOYSA-N	304.224	1.257	50	20	DDGD	
CO[C@H](CNC(=O)NNc1cccc(C(=O)O)c1F)C(C)C	1599049274	HSBRRGRPHPGSQQ-LLVKDONJSA-N	313.329	1.821	50	20	DDGD	
CC(CCCCCCC(=O)O)=NNC(=O)c1ccc(O)nn1	1776047881	PVRIIUABCMQOQN-UHFFFAOYSA-N	308.338	1.713	50	20	DDGD	
C[N+](C)(C)CC(=O)NN=Cc1c[nH]c2c(C(=O)O)cccc12	1776011777	NINKNHDPRGVEJG-UHFFFAOYSA-O	303.342	1.022	50	20	DDGD	
C[C@@H]1CC[C@H](CCC(=O)NNC(=S)Nc2ccccn2)O1	161713371	SNPHSHCRENGMHK-GHMZBOCLSA-N	308.407	1.747	50	20	DDGD	
CCOC(=O)NNC(=O)Cc1cccc(OC(F)(F)F)c1	158876092	BFGOKKKIRBQKHU-UHFFFAOYSA-N	306.240	1.905	50	20	DDGD	
CC[C@@H](NNC(=O)CNC(=O)c1ccco1)c1ccc(F)cc1	160860918	FNHOFYLHRKIYJM-CYBMUJFWSA-N	319.336	1.921	50	20	DDGD	
O=C(CCCC1CCCC1)NNC(=O)C(=O)Nc1ccccn1	152040014	DSSHGHCNGIDHRM-UHFFFAOYSA-N	318.377	1.528	50	20	DDGD	
CCC(CC)n1ncc(C(=O)NNC(=O)c2cccn2C)c1C	156140227	KGDARBXILRFFAQ-UHFFFAOYSA-N	317.393	1.966	50	20	DDGD	
COc1nccnc1NNC(=O)c1cnc(C(F)(F)F)nc1	156918693	YNAULYCBDDBPIF-UHFFFAOYSA-N	314.227	1.051	50	20	DDGD	
CC(C)C1(O)CN(S(=O)(=O)c2ccc(CCl)cc2)C1	311600457	ODBOAVVEWNVJBG-UHFFFAOYSA-N	303.811	1.817	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1nc(-c2ccccc2)no1)N(C)C	106916944	FYXLTLLYICTMBS-GFCCVEGCSA-N	303.366	1.766	50	20	DDGD	
O=C(NNS(=O)(=O)c1c(F)cccc1F)NC1CCCC1	65833067	BKSSRGRYUYRFTD-UHFFFAOYSA-N	319.333	1.400	50	20	DDGD	
CNC(=O)NNC(=O)c1c(-n2cccc2)sc2c1CCCC2	56376641	IGOBOXXZLFIJIP-UHFFFAOYSA-N	318.402	1.991	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)C1(Cc2ccccc2)CC1	177044361	XZAIXZNFCKTCAS-UHFFFAOYSA-N	309.369	1.794	50	20	DDGD	
COc1cccc(/C=C/C(=O)NNC(=O)NC2CCCC2)c1	65920843	VXPGWRNDZZWROL-MDZDMXLPSA-N	303.362	1.981	50	20	DDGD	
O=C(NNC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1cccnc1	27756892	YKNMDHHBEIWLJA-QYJAPNMZSA-N	301.346	1.238	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCCc1ccc([N+](=O)[O-])cc1	54646282	YGDFUKIIPRGCML-UHFFFAOYSA-N	324.337	1.876	50	20	DDGD	
O=C(NCc1ccc(N2CC=CC2)cc1)NNc1cccnn1	172704636	YHSSFERXJXBQRO-UHFFFAOYSA-N	310.361	1.679	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NNC(=O)c2ccc[nH]2)cc1	108464719	DPZZWERWLJYOOM-UHFFFAOYSA-N	309.347	1.037	50	20	DDGD	
C[S@](=O)CCCNC(=O)NNc1ccc(C(C)(C)C)nn1	118485400	UZILWFRPZPVYGX-OAQYLSRUSA-N	313.427	1.169	50	20	DDGD	
COC(=O)[C@H](NNC(=O)c1ccccc1)c1ccccc1F	173825435	HZEYHIUULCGRCM-CQSZACIVSA-N	302.305	1.974	50	20	DDGD	
O=C(CN1CCCC1=O)NNc1ccccc1C(F)(F)F	60742094	CLNOISPGHKHUOX-UHFFFAOYSA-N	301.268	1.771	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2csc3ccccc23)cn1	117680668	HFQPCDQLFGLBIY-UHFFFAOYSA-N	300.343	1.710	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2Cc3ccccc3O2)n1	174484773	PXFUIDLMZWDIGV-GFCCVEGCSA-N	300.318	1.240	50	20	DDGD	
COc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)OC(C)(C)C)c1	67778017	UGULWGOGORLSRT-UHFFFAOYSA-N	311.294	1.773	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)NCc2ccco2)c1	183089113	AZDCPDPJJZHNGI-UHFFFAOYSA-N	309.347	1.509	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)Nc1c(F)cc(F)cc1F	186252123	NJENLXIPMFIQRG-UHFFFAOYSA-N	313.239	1.222	50	20	DDGD	
Cc1cc(C)cc(NC(=O)C(=O)NNC(=O)c2ccc[nH]2)c1	123192289	ORIXUEDRZAXSPQ-UHFFFAOYSA-N	300.318	1.031	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NNC(=O)Cc1cc[nH]n1	186100946	ZWLZPFMFOCXVFY-QWRGUYRKSA-N	304.375	1.273	50	20	DDGD	
Cc1cc2occ(C(=O)NNC(=O)c3cnn(C)c3)c2cc1C	185924954	BYFFIMCXHCZFDG-UHFFFAOYSA-N	312.329	1.858	50	20	DDGD	
Cc1ccc(C[C@@H](C)C(=O)NNc2ccc(C(N)=O)nn2)cc1	181839941	GXUAWHIOPCLKJV-LLVKDONJSA-N	313.361	1.206	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(CC(C)C)cc1	123056184	XORDPVQOPWLCFG-UHFFFAOYSA-N	307.394	1.866	50	20	DDGD	
CN(C)Cc1cccc(CNC(=O)NNC(=O)c2ccc[nH]2)c1	120445751	AGRFRLLEQSZWHR-UHFFFAOYSA-N	315.377	1.221	50	20	DDGD	
COCCN(CCN(C)C)C(=O)/C(C#N)=C\c1ccc(O)cc1	188422188	IIULIFNODCHLLM-QINSGFPZSA-N	317.389	1.336	50	20	DDGD	
O=C(CCCNC(=O)C1CC1)NNc1ccc([N+](=O)[O-])cc1	133722556	QTWLSONHVYYINN-UHFFFAOYSA-N	306.322	1.344	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2ccc(F)c(C)c2)n1	45346220	VMSPBKMZRIJZFW-UHFFFAOYSA-N	305.313	1.759	50	20	DDGD	
CC(=O)NNC(=O)Nc1cccc(CN2CCCCC2=O)c1	181968906	XJPJSKWMUJQWOT-UHFFFAOYSA-N	304.350	1.372	50	20	DDGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)[C@H](C)O	136098275	IVKAZDFVHKHEQR-VIFPVBQESA-N	305.359	1.260	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNC(=O)c1ccc(Cl)cc1F	81029083	ZCDXVHYOPPKQSB-UHFFFAOYSA-N	324.743	1.904	50	20	DDGD	
O=C(Cc1ccc(O)cc1)NNc1nc(-c2ccncc2)no1	133553063	FHHOEQCFEZDXPJ-UHFFFAOYSA-N	311.301	1.523	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)CCc1ccccc1)[C@@H]1CCCO1	132069884	DCPDYBIVYLEMOD-CABCVRRESA-N	319.405	1.907	50	20	DDGD	
O=C(CCc1ccc(Cl)s1)NNC(=O)N1CCOCC1	194896213	OAKHAFWECJFHMB-UHFFFAOYSA-N	317.798	1.407	50	20	DDGD	
C[C@@H]1CCC[C@H](NC(=O)NNC(=O)Cc2ccncc2)CC1	190973533	ZBFVPIPKKBXIRJ-OCCSQVGLSA-N	304.394	1.923	50	20	DDGD	
Cc1cc(F)ccc1S(=O)(=O)NNC(=O)OC(C)(C)C	192804096	SFGSQWZLPLAGIB-UHFFFAOYSA-N	304.343	1.852	50	20	DDGD	
CCOC(=O)C[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(O)cc1	194750772	MYVGUMGFVXAYFA-NASPGAHYSA-N	302.330	1.757	50	20	DDGD	
COc1ccnc(NNC(=O)NC2CCN(C(C)(C)C)CC2)n1	193841195	DCNJZBGIJCOIGV-UHFFFAOYSA-N	322.413	1.374	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2	142593184	SZQYAZXBIBMFTC-UHFFFAOYSA-N	324.293	1.068	50	20	DDGD	
Cn1c(=NNC(=O)NC2CCOCC2)sc2ccccc21	255345387	XQRWHPMSULEQAG-UHFFFAOYSA-N	306.391	1.534	50	20	DDGD	
COC(=O)c1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)[nH]1	267602333	POIBARJWNWAVTP-PMDBQALLSA-N	303.318	1.003	50	20	DDGD	
Cc1ccc(NCCCNC(=O)NNC(=O)C2CCC2)nc1	264743626	LVMOUEXKTMUDCX-UHFFFAOYSA-N	305.382	1.323	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cccc3c2OCCO3)n1	266957854	SZKOTOWFMWQQFP-UHFFFAOYSA-N	316.317	1.322	50	20	DDGD	
Cc1onc(-c2ccncc2)c1C(=O)NNC(=O)NC1CC1	268898383	WEDYQFORWYUQOV-UHFFFAOYSA-N	301.306	1.151	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1cccc([N+](=O)[O-])c1	269854604	URDIXPACGMIFOZ-UHFFFAOYSA-N	310.310	1.564	50	20	DDGD	
COCCCOc1cccc(C(=O)NNC(=O)C2CCC2)c1	266164764	UPLKIVBTOBFXLQ-UHFFFAOYSA-N	306.362	1.663	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H]2CCc3nccn3C2)cc1	363935582	AUFHLBRRKWVHOM-AWEZNQCLSA-N	312.373	1.469	50	20	DDGD	
CC(C)NC(=O)NNS(=O)(=O)c1ccc(OC(C)C)cc1	271394916	SMWZTTRRCRLPLM-UHFFFAOYSA-N	315.395	1.375	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C	276119860	MYYWQBLASCRQGM-JTQLQIEISA-N	324.381	1.008	50	20	DDGD	
NNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1	270243069	ROQHTCOEGPRKTL-JTQLQIEISA-N	312.167	1.044	50	20	DDGD	
COC(=O)c1ccnc(NC(=O)NNC(=O)CC2CCCC2)c1	278165019	YMMAPDYOFXFRGB-UHFFFAOYSA-N	320.349	1.601	50	20	DDGD	
O=C(CCCCc1c[nH]nn1)NNc1cccc(F)c1[N+](=O)[O-]	279317994	MSMOYFCBCLGNHX-UHFFFAOYSA-N	322.300	1.708	50	20	DDGD	
COc1cccc(NNC(=O)[C@H](C)OC[C@H]2CCCCO2)n1	272521648	LFNVUBQINFXAPF-NWDGAFQWSA-N	309.366	1.508	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)n1	271813319	PBEQOPCTWISCAE-GHMZBOCLSA-N	309.370	1.315	50	20	DDGD	
CCNC(=O)Nc1ccc(C)c(NC(=O)NNC(=O)C2CC2)c1	279059322	ZDYJMHOTUMCVMW-UHFFFAOYSA-N	319.365	1.699	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(C)c(C(=O)OC)c1	275973786	BNQOZNDVHPFKNP-UHFFFAOYSA-N	308.338	1.479	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)C2CC2)cc1Br	275398304	HWCCBHGXEVHYSG-UHFFFAOYSA-N	311.179	1.857	50	20	DDGD	
CC[C@@H](C)Oc1cc(C(=O)NNC(=O)c2ccccn2)ccn1	271957219	CYSWOQPUSBGHDW-LLVKDONJSA-N	314.345	1.729	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(F)cc1OCC(F)F	271588712	UNKAGMMUVKSCDU-UHFFFAOYSA-N	307.228	1.862	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)C(=O)NNC(=O)NCc1ccco1	273081118	BBTSVGZXCHHZEX-MRVPVSSYSA-N	305.338	1.254	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C(C)(C)C(C)C	275842037	VFEODNDGZZHFFU-UHFFFAOYSA-N	308.378	1.904	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc(C(=O)NC2CC2)cc1	273344193	RJHVOUXRMYHHHB-UHFFFAOYSA-N	318.377	1.778	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@H]1CC12CCOCC2	376523933	YGZZHRWEWCENMC-GFCCVEGCSA-N	302.378	2.004	50	20	DDGD	
COCC1(C(=O)NNc2cccc(S(C)(=O)=O)c2)CCC1	285742264	UCWRBCODASCMRZ-UHFFFAOYSA-N	312.391	1.350	50	20	DDGD	
Cc1nc2c(C(=O)NNC(=O)NC3CCCC3)cccc2[nH]1	283567800	VLBXICVPKHMHNL-UHFFFAOYSA-N	301.350	1.758	50	20	DDGD	
CSCC(C)(C)C(=O)NNc1ccc(-n2ccnc2)nn1	286694499	QUGBTPFXGFXSHQ-UHFFFAOYSA-N	306.395	1.495	50	20	DDGD	
CCOC1CC(C(=O)NNc2ccc(C(F)(F)F)nn2)C1	287771080	RHSIJEWUJQLXGI-UHFFFAOYSA-N	304.272	1.754	50	20	DDGD	
COCCN(C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F	297091263	MSBHSQNZTBQUFZ-UHFFFAOYSA-N	313.329	1.621	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cnn2c1CCC2)c1ccccc1	294647526	PJLWRXSUNPIFAZ-ZDUSSCGKSA-N	312.373	1.784	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)[C@@H]2CCCCO2)cc(OC)c1	297586853	YBQZFCHYJUXBCC-ZDUSSCGKSA-N	323.349	1.426	50	20	DDGD	
O=C(NCCc1ccco1)NNc1ccc(-n2ccnc2)nn1	804861413	XYQDPCIXCDTFIM-UHFFFAOYSA-N	313.321	1.124	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1ccc(OCC(=O)O)cc1	298830218	ZIVWQWRPNDSJDN-WQLSENKSSA-N	305.286	1.247	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)C(=O)Nc1nc(C)n(C)n1	293704903	MJTHNDFRHBFEHF-UHFFFAOYSA-N	316.365	1.076	50	20	DDGD	
COc1cccc(NNC(=O)NCCc2cccnc2OC)n1	290872497	FPIXDXATSGATEL-UHFFFAOYSA-N	317.349	1.363	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21	299284416	DZDOGESIVYDXKG-UHFFFAOYSA-N	318.333	1.743	50	20	DDGD	
CCC(=O)Nc1ccc(NC(=O)NNC(=O)[C@@H]2CCCO2)cc1	292721980	SEMXASHUADVDKQ-LBPRGKRZSA-N	320.349	1.367	50	20	DDGD	
CCCc1nnc(S)n1CC(=O)NNc1cccc(C)c1	298074568	ICKDCUWUHZWHCY-UHFFFAOYSA-N	305.407	1.971	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2cccc(O)n2)cc1	801600405	QICLKOSPWAXRNE-UHFFFAOYSA-N	317.370	1.649	50	20	DDGD	
CC[S@](=O)CC(=O)NNc1ccc(OC(F)(F)F)cc1	295098018	YNVJDEVWLVEXAP-FQEVSTJZSA-N	310.297	1.797	50	20	DDGD	
C[C@H](CCO)C1(CNC(=O)NNc2ncncc2F)CCC1	293166489	XSUKXZOCLKHPQE-SNVBAGLBSA-N	311.361	1.431	50	20	DDGD	
C[C@H](OCC1CC1)C(=O)NNc1ccc2c(=O)[nH]ccc2c1	803431181	RYWHLTYDWFTTHQ-JTQLQIEISA-N	301.346	1.786	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NNc1ncccc1F	804214559	KDMLSCLODZSHJG-RNCFNFMXSA-N	303.293	1.892	50	20	DDGD	
CS[C@@H](C)CC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802102993	IHFOAOKCHXUYST-QMMMGPOBSA-N	311.363	1.710	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(F)c(F)c1	808045161	DXZJMPQBFWWSIP-UHFFFAOYSA-N	316.304	1.515	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(N(C)C)cc1)c1cnnn1C	814856839	SUGOFLGSFWPEAM-UHFFFAOYSA-N	301.354	1.427	50	20	DDGD	
CN(NC(=O)[C@@H](c1ccccc1)N1CCCCC1=O)C1CC1	819647202	JQIWQHYISLMQHA-MRXNPFEDSA-N	301.390	1.866	50	20	DDGD	
Cc1nn(C)c(N)c1C=NNC(=O)Nc1ccc(N(C)C)cc1	814856111	BNPMZFZINIANNK-UHFFFAOYSA-N	315.381	1.532	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)CN2CCCC2=O)c(Cl)c1	819805293	SSIZOWJNDHREPX-UHFFFAOYSA-N	323.780	1.811	50	20	DDGD	
Cc1cc(C#N)cnc1C(=O)NNC(=O)Cc1ccccc1F	815539040	XXHKKDIJLIANKF-UHFFFAOYSA-N	312.304	1.405	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNc1cc(Cl)nc(Cl)c1	819740894	ATLKRPSCLHAOHN-LURJTMIESA-N	305.165	1.746	50	20	DDGD	
O=C(NN=C1CCN(CCO)CC1)c1cccc2cccnc12	819807893	WHBOWXUYUQNBEU-UHFFFAOYSA-N	312.373	1.409	50	20	DDGD	
N#CCCC[C@@H](N)C(=O)NNc1nc(-c2ccccc2)no1	818110263	KWQISKUGOANTOZ-LLVKDONJSA-N	300.322	1.201	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@](C)(O)c1ccc(Cl)cc1	815505956	FDHDFUGDBHOLGD-CQSZACIVSA-N	322.752	1.040	50	20	DDGD	
COCCC(COC)=NNC(=O)[C@H](C)Oc1ccc(F)cc1	812224732	ITEZESNCUYXCNC-NSHDSACASA-N	312.341	1.748	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1cccc(CN(C)C)c1	814786872	GEJYJGGWOCTQRT-UHFFFAOYSA-N	313.405	1.863	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCNc1ccc(C#N)cn1	728597350	PGMMXUIAKBUXQE-UHFFFAOYSA-N	318.381	1.132	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](CC)C(=O)O)cc1	818239996	FGYVUIHBRSAMNM-FWLQQBITSA-N	302.330	1.972	50	20	DDGD	
CCOc1ccc(NNC(=O)c2c(C)nc(N)nc2C)cc1	817879139	CXKIBOUFZQQDDI-UHFFFAOYSA-N	301.350	1.831	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)nc1	728856306	WTDXYFORGMZAFV-UHFFFAOYSA-N	323.352	1.520	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1	729273061	DBCGLOXOOSUIAQ-LBPRGKRZSA-N	317.389	1.929	50	20	DDGD	
COC(=O)c1cc(OS(=O)(=O)CCl)cc(C(=O)OC)c1	829677775	LHJPTVFROQGOTJ-UHFFFAOYSA-N	322.722	1.165	50	20	DDGD	
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1nc(C)cc(C)n1	495467137	BORILDQVFJZYIQ-LLVKDONJSA-N	323.397	1.840	50	20	DDGD	
CCC[C@H](CC)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	824559459	AGVZTIZIZPADDU-LBPRGKRZSA-N	313.442	1.903	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@@H](c2ccc(F)cc2)C1	828030238	CZGHXICVBHXCDG-CYBMUJFWSA-N	307.369	1.418	50	20	DDGD	
CCN(CCO)NC(=O)c1c(F)ccc(C)c1Br	823879017	DISWIEIKTGICGV-UHFFFAOYSA-N	319.174	1.856	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NNC(=O)N=c1cc[nH]cc1	726871789	LEZQCXFLHMSCNX-UHFFFAOYSA-N	324.344	1.015	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H]2CCC[C@H](C(F)(F)F)C2)o1	585026328	LSLAZAHUFBEKCL-ZJUUUORDSA-N	305.105	1.418	50	20	DDGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C\c2cn(C)nn2)cc1	490664916	WHOTUBNZXIIABB-WQLSENKSSA-N	324.344	1.063	50	20	DDGD	
CC(C)C(=O)NNC(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C	493909248	VNTVZIYQNZICKJ-SNVBAGLBSA-N	316.402	1.134	50	20	DDGD	
CCOC(=O)N1CCC(C(=O)NNc2ccnc(F)c2)CC1	495205509	FWXCXRJAHFSBDD-UHFFFAOYSA-N	310.329	1.532	50	20	DDGD	
CC(C)C[C@@H](C)n1nccc1NC(=O)c1cccc(B(O)O)c1	584993927	VSOKNJCNKOEIIE-GFCCVEGCSA-N	315.182	1.422	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc2c(s1)CCC2	905118952	UVEHBTAOXWXKBV-FZMZJTMJSA-N	320.414	1.979	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1	823940239	VIUIVCGWKXTAQW-QMMMGPOBSA-N	303.265	1.030	50	20	DDGD	
CN(C)CCn1nccc1NC(=O)NNc1ccc(Cl)cn1	823589900	PHZMAIYFYFHMAX-UHFFFAOYSA-N	323.788	1.642	50	20	DDGD	
COc1cccc(OC)c1SCC(=O)NNC(=O)C(C)C	829468363	BXNPHBNOMAQQFP-UHFFFAOYSA-N	312.391	1.599	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NN=Cc1cccc(O)c1	491550546	RRTASFUGMNHKRG-UHFFFAOYSA-N	322.365	1.550	50	20	DDGD	
COC(=O)[C@]1(C)CCCN(C(=O)/C(C#N)=C/c2cnn(C)c2)C1	491129511	GUNCODNULUMJGP-ROCHPLJESA-N	316.361	1.129	50	20	DDGD	
C[C@H](CCO)C1(CNC(=O)/C(C#N)=C\c2cnn(C)c2)CCC1	491103903	MDEBZATVVQROEQ-ATDKOCKZSA-N	316.405	1.632	50	20	DDGD	
COc1ccc2c(c1)OC(C)(C)CC2=NNC(=O)c1ncon1	901284854	BGDRKKPDFLZKPF-UHFFFAOYSA-N	316.317	1.773	50	20	DDGD	
CCOc1nc(C(F)(F)F)ccc1C(=O)NNC(=O)OC	496884382	NTPHUJMHKXIYGT-UHFFFAOYSA-N	307.228	1.500	50	20	DDGD	
CO[C@H](CNCc1ccc(B(O)O)o1)c1ccccc1Cl	585028197	GNTCIIABKOYQEO-CYBMUJFWSA-N	309.558	1.090	50	20	DDGD	
CCn1cc(C(=O)NNc2ncnc(Cl)c2C(C)C)nn1	822800858	VKEHDEMJPNSCLK-UHFFFAOYSA-N	309.761	1.622	50	20	DDGD	
COc1ncccc1C(=O)NNC(=O)c1ccc(Cl)cc1	906443601	KWAUZXGYZNOLNK-UHFFFAOYSA-N	305.721	1.818	50	20	DDGD	
CN(CCCCNCc1ccc(B(O)O)cc1)c1ccccc1	585018643	NXPFTQCXHUWOIU-UHFFFAOYSA-N	312.222	1.373	50	20	DDGD	
CCO/C=C\C(=O)NNC(=O)CSc1ccccc1OC	493824076	OKFDXSHDSSQWRD-HJWRWDBZSA-N	310.375	1.485	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CCc1ccccc1C(=O)O	833440197	AHPIJCQCUYQYMD-UHFFFAOYSA-N	308.334	1.873	50	20	DDGD	
O=C(NC[C@H]1CCC(F)(F)C1)NNC(=O)[C@H]1CCCCO1	836439557	XXIIIDYRSPHARQ-VHSXEESVSA-N	305.325	1.321	50	20	DDGD	
Cc1nn(C)cc1C(=O)NNc1ccc(Br)nc1	733363993	DKUKIDYSUJPIKD-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)O)[nH]1)c1cc(-c2ccccc2)[nH]n1	833312113	JPZPRRXRMIAMHV-UHFFFAOYSA-N	323.312	1.867	50	20	DDGD	
C[C@H](NC(=O)[C@]1(C)C[C@@H]1Br)C(=O)N1CCCC1	907962920	QCCYKRGRCJPHTJ-HOTUBEGUSA-N	303.200	1.287	50	20	DDGD	
CO[C@@H]1COC[C@@H]1NC(=O)NNc1c(F)cccc1Cl	838779292	WRRWPYBSMGSKFU-VHSXEESVSA-N	303.721	1.519	50	20	DDGD	
OB(O)c1ccc(CNCCCc2ccccc2F)c(F)c1	585038955	KVXQUGCTIHVKFR-UHFFFAOYSA-N	305.133	1.367	50	20	DDGD	
NC1=CCN(S(=O)(=O)c2ccc(CCCCl)cc2)N1	901946448	BUNWWHYAUOMPFA-UHFFFAOYSA-N	301.799	1.167	50	20	DDGD	
CCOC(=O)[C@H]1CCCN(CC(=O)NNc2ccccc2F)C1	901163916	YDONQWUTXRZURK-LBPRGKRZSA-N	323.368	1.544	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@H]2C(=O)O)c(C)c1	738628401	QTGRHBAPCQLPOB-NXEZZACHSA-N	307.375	1.342	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccs1	730576031	LCBNNQQNPWNNTD-SECBINFHSA-N	300.405	1.413	50	20	DDGD	
CC(C)N1CCN(CCCC(=O)NNc2cccc(F)n2)CC1	908171251	NWFVZGOEVXOULL-UHFFFAOYSA-N	323.416	1.470	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCC[C@@H](O)C2CCCC2)cn1	831400910	FUIYDOCEIRXQKJ-UJMHRVFCSA-N	302.378	1.384	50	20	DDGD	
OB(O)c1ccc(CNC2CCN(c3ccccc3)CC2)cc1	585018863	VKXMCITUCULEHU-UHFFFAOYSA-N	310.206	1.125	50	20	DDGD	
CC[C@H](O)[C@H](C)C(=O)NNC(=S)NCCc1cccs1	900050145	CRTMKIUCNQWIKH-ONGXEEELSA-N	315.464	1.193	50	20	DDGD	
Cc1ccc(CN2CCCC2)cc1NCc1ccccc1B(O)O	585016274	LEFACBUSSSXNGA-UHFFFAOYSA-N	324.233	1.883	50	20	DDGD	
CO[C@@H]1CCC[C@H]1CNC(=O)NNc1ncc(F)cc1F	838535709	INQFTPOFYOTIKY-GZMMTYOYSA-N	300.309	1.801	50	20	DDGD	
C[C@@H]1CCC[C@H](CNC(=O)NNC(=O)[C@@H]2CCCCO2)[C@@H]1C	836439522	XBJDKMMCGITKHH-SYQHCUMBSA-N	311.426	1.958	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@H](C)CSC)cc1	836315239	XFEQGAGKAZOIJF-SECBINFHSA-N	312.395	1.782	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](O)CN(CCO[Si](C)(C)C(C)(C)C)C1	830864968	IISAAENRWKTQSD-QWHCGFSZSA-N	317.502	1.864	50	20	DDGD	
C[C@@]1(C(=O)Nc2ccc(-n3cncn3)nc2)C[C@@H]1Br	905878937	IOXBCCIPAUCBPX-JOYOIKCWSA-N	322.166	1.774	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)cc1F	837057551	GNMSTGAEHMDVMW-MWODSPESSA-N	310.325	1.869	50	20	DDGD	
O=C(CCOc1ccc(F)cc1)NNC(=O)[C@H]1CCCCO1	833778760	JDXQHYHYPVSUHW-CYBMUJFWSA-N	310.325	1.311	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc(C)cc1OC	834963332	UOEIMCAUWZOOKG-UHFFFAOYSA-N	305.378	1.759	50	20	DDGD	
CN(CCNC(=O)NNC(=O)Cc1ccc(Cl)cc1)C1CC1	732891304	CPQONRAMCWDDBJ-UHFFFAOYSA-N	324.812	1.307	50	20	DDGD	
CC[C@@H](NCc1ccccc1B(O)O)c1cc(F)ccc1F	585024696	AVUAHJJEQBWWNK-MRXNPFEDSA-N	305.133	1.886	50	20	DDGD	
O=C(C[C@H]1OCCc2ccccc21)NNC(=O)[C@H]1CCCCO1	833250064	BLNMSSHJKVMVSX-HUUCEWRRSA-N	318.373	1.407	50	20	DDGD	
CCc1nc(CN2CCN(S(=O)(=O)CCl)CC2)cs1	830181038	GWERJHMUTKPOJX-UHFFFAOYSA-N	323.871	1.349	50	20	DDGD	
COc1cccc2[nH]c(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)cc12	911502965	ONCCCFPGDQNVFS-ZJUUUORDSA-N	317.345	1.363	50	20	DDGD	
N#Cc1ccc(NNC(=O)C[C@@H](NC(N)=O)c2ccccc2)cc1	748104962	TZDGPKUMLKSKKX-OAHLLOKOSA-N	323.356	1.801	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNc2cnnc3ccccc23)CC1=O	839683940	KJDGTPFSLAHOFZ-NSHDSACASA-N	313.361	1.331	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H](c1c(F)cccc1Cl)N(C)C	746167434	QMXFFNDBVQOZIT-NSHDSACASA-N	316.764	1.432	50	20	DDGD	
N#CC[C@]1(O)CCN(S(=O)(=O)c2ccc(CCl)cc2)C1	916614454	HGMRUGBWOPMKGF-ZDUSSCGKSA-N	314.794	1.465	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cccc(Br)c1O	910155915	PDNMXCGWOQKOCR-SSDOTTSWSA-N	303.156	1.112	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCc1ccc(F)cc1F	747499402	OHLRMHRXUPHIGT-UHFFFAOYSA-N	320.299	1.433	50	20	DDGD	
C[C@@H](CCN)NC(=O)NNc1ccc(C#N)cc1C(F)(F)F	841967861	QQMCMLWWEMBECX-QMMMGPOBSA-N	315.299	1.940	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C[C@H](C)n2nc(C)cc2C)n1	746624386	WMYDGVHMKJCJCY-LBPRGKRZSA-N	318.381	1.701	50	20	DDGD	
Cc1cc(OCC(=O)NNC(=O)c2ncccn2)ccc1Cl	743282141	IICFNXPGULSHIJ-UHFFFAOYSA-N	320.736	1.278	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNc1nc2ccccc2c(=O)n1C	841395388	IYKDHIDZNARHRO-CYBMUJFWSA-N	318.377	1.438	50	20	DDGD	
CC(=O)c1ccc(NC(=S)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	843276665	GDXAVWYMUFPFQN-GXFFZTMASA-N	321.402	1.632	50	20	DDGD	
CCOc1ccc(OCCCC(=O)NN(C)C[C@@H](C)O)cc1	910182543	JJYASJIABJZSKK-CYBMUJFWSA-N	310.394	1.588	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccc(C)cc2O)c1O	918338935	PWWOMTQONQVFPW-UHFFFAOYSA-N	316.313	1.490	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)c2cc(N)cc([N+](=O)[O-])c2)s1	748779467	AIQSXQARLHWKKP-UHFFFAOYSA-N	315.314	1.874	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)NCc2ccco2)cc1C1CC1	742054003	WENXNHQMDXNBOS-UHFFFAOYSA-N	303.322	1.035	50	20	DDGD	
Cc1ccsc1S(=O)(=O)NNC(=O)c1ccc(C#N)cc1	741653804	PRQCPARKSPRLIC-UHFFFAOYSA-N	321.383	1.552	50	20	DDGD	
CC[C@H](C)CC[C@H](O)CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843970705	JXGXBBPJQPFDOC-QNWHQSFQSA-N	300.399	1.136	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1ccc2c(c1)OC(F)(F)O2	845926943	VKCJAXROPSYJIP-UHFFFAOYSA-N	315.276	1.243	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=Cc2cccc(O)c2)C[C@@H](C)O1	916372254	PMENMZJGANBNJF-MELADBBJSA-N	319.405	1.588	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	916094962	GUHDXUWCDDCLBN-OXMMTESCSA-N	306.406	1.775	50	20	DDGD	
COc1ccc(NNC(=O)C2(C(=O)NC3CC3)CCC2)cc1	746886305	KPMUFBOTEAVXSR-UHFFFAOYSA-N	303.362	1.587	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F	843650339	BFEAAQRFISCTOS-UKKRHICBSA-N	324.327	1.641	50	20	DDGD	
COC/C(C)=C\C(=O)NNC(=O)CSc1ccccc1OC	845904188	ZXOCGGBAJXUQLQ-FLIBITNWSA-N	324.402	1.527	50	20	DDGD	
CCn1[nH]c(C)nc1=NC(=O)[C@H](Br)C(C)(C)C	912165238	KDTACYHDIUIZOQ-QMMMGPOBSA-N	303.204	1.776	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC(=O)CC12CCC2	846994770	CZFXXVPFDJRQQC-GFCCVEGCSA-N	309.410	1.156	50	20	DDGD	
CC[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccccn1	748285493	KAXSERWRTMWNDR-CYBMUJFWSA-N	317.320	1.839	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cnn1CCC(C)C	843661936	OUQJLPWLSKRXKE-CHWSQXEVSA-N	322.409	1.424	50	20	DDGD	
O=C(NNC(=O)C(F)(F)C(F)F)c1ccc2ccccc2n1	749324238	YBXCKMZIWFZKSR-UHFFFAOYSA-N	315.226	1.896	50	20	DDGD	
Cn1ccc(C(=O)NNC(=O)c2cccc3ccccc23)cc1=O	741575980	JIOOXRTXSFNMKP-UHFFFAOYSA-N	321.336	1.613	50	20	DDGD	
COCC1(CC(=O)NNC(=O)Cn2cnc3ccccc32)CC1	843752829	DOGZACONDQMSPH-UHFFFAOYSA-N	316.361	1.000	50	20	DDGD	
CC1(C)C[C@H](C(=O)NNC(=O)C(C)(C)O)c2ccccc2O1	840434677	RTOPMDXVJGPKRW-NSHDSACASA-N	306.362	1.250	50	20	DDGD	
C[C@@](O)(CNC(=O)NNC(=O)C1CCCC1)c1ccccc1	753334449	HKXSJGHERNHAGA-MRXNPFEDSA-N	305.378	1.415	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])[C@H]1CSCCS1	759294205	JZSOWMQCAPAPEU-MRVPVSSYSA-N	300.365	1.282	50	20	DDGD	
CN(CC(=O)OC[C@@H](CBr)C1CC1)C(=O)C1CC1	859555680	QPHRFILZZKQOBX-LLVKDONJSA-N	318.211	1.819	50	20	DDGD	
CC(C)S(=O)(=O)CCNC(=O)NNc1ccc(Cl)cn1	852343727	ZJTUBLLWLXMDAX-UHFFFAOYSA-N	320.802	1.184	50	20	DDGD	
CC[C@H](C)C=NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1	755507964	HPYDZXKGFHBPMY-NSHDSACASA-N	311.407	1.699	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NCC1CC=CC1	858238075	TYHQLFZBFGFLHK-UHFFFAOYSA-N	303.362	1.500	50	20	DDGD	
CN1CCC[C@H](CNC(=O)NC[C@]2(C)C[C@H]2Br)C1	856838617	DIDCZHWTBAXKTI-WZRBSPASSA-N	318.259	1.801	50	20	DDGD	
Cc1ccc(S(=O)(=O)NC[C@]2(C)C[C@@H]2Br)cn1	856754372	HKOFHYFCVVJTOF-QWRGUYRKSA-N	319.224	1.842	50	20	DDGD	
C[C@H](NC(=O)NNc1cc(F)cc(Cl)c1)C(=O)N(C)C	853404723	STCGFHRKKLKLJR-ZETCQYMHSA-N	302.737	1.582	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ncc(C#N)cc1Cl)C1CC1	855098071	DDQGSMKKUWSNKA-ZETCQYMHSA-N	323.809	1.514	50	20	DDGD	
C[C@@H](C(=O)NNC(=S)NCC1CCC1)N1CCCCCC1	855091406	OIZFKSBITWJVDD-LBPRGKRZSA-N	312.483	1.546	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=O)c2ccc(C#N)cc2)C1	857853588	DWCZIKZKMYSYIV-YGRLFVJLSA-N	323.356	1.408	50	20	DDGD	
COCCCNC(=O)[C@H](C)N(C)NC(=O)OCc1ccccc1	859389846	PLKBYBQCRDEJCF-ZDUSSCGKSA-N	323.393	1.301	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2CCCc3nn[nH]c32)C[C@@H]1Br	857734882	WMDBYSFVOKOSSG-QOSJWCAFSA-N	313.199	1.514	50	20	DDGD	
CCOc1cc(C)ccc1NC(=O)NNC(=O)c1c[nH]nc1C	756023419	RWPPEXDAMQIPFJ-UHFFFAOYSA-N	317.349	1.892	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc2c(c(OC)c1)O[C@@H](C)C2	920766619	NFBKOTYGBNSOKN-JTQLQIEISA-N	321.377	1.763	50	20	DDGD	
CC(C)NC(=O)Nc1ccc(C(=O)NNc2ccncn2)cc1	857520625	GHOCKQYJBJFUCO-UHFFFAOYSA-N	314.349	1.763	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)C(=O)Nc2ccccn2)cc1	758497269	NWBGZFDRKAMBBM-UHFFFAOYSA-N	313.317	1.181	50	20	DDGD	
COc1cccc2c1CCC(=NNC(=O)N1CCOCC1)C2	754942064	MDGDLAIFBQERJV-UHFFFAOYSA-N	303.362	1.582	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C2CCCC2)c(OC)n1	756248602	OWQDZQYSCXJMDX-UHFFFAOYSA-N	308.338	1.442	50	20	DDGD	
CCN1CCC[C@H](NC(=O)NNc2ccc(F)c(F)c2)C1=O	925988364	SBHGQELSXWOXQU-LBPRGKRZSA-N	312.320	1.602	50	20	DDGD	
CCNC(=O)NN=Cc1cc(O)c(OC)cc1Br	920827088	FSHTYABXSQGEPA-UHFFFAOYSA-N	316.155	1.816	50	20	DDGD	
COc1cccc([C@H](O)C(=O)NNC(=S)N[C@@H](C)C2CC2)c1	855098116	DNLKSGKZLVRWHB-ZANVPECISA-N	323.418	1.022	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1c(F)ccc(F)c1Cl	857295678	QVYCQEIYOIYSGG-RQJHMYQMSA-N	318.707	1.804	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ccnc(Cl)c2F)n1	753450195	PFCJIRLFWIHOJK-UHFFFAOYSA-N	317.111	1.657	50	20	DDGD	
CCc1ccc(CCNC(=O)NNC(=O)c2cn[nH]c2)cc1	858231725	VRMQUXFBQDFGJD-UHFFFAOYSA-N	301.350	1.159	50	20	DDGD	
CN(CCN1CCCC1)C(=O)NC[C@]1(C)C[C@@H]1Br	856956454	PPPQCOBKEXAPCK-AAEUAGOBSA-N	318.259	1.897	50	20	DDGD	
C[C@@H]1CCN(C(=O)NC[C@@]2(C)C[C@H]2Br)[C@H](CN)C1	857105109	DZUXOMFTLNRZJG-LSCVPOLPSA-N	318.259	1.929	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)CCCc2ccccc2)nn1	931781996	FOYURIFATASFJC-UHFFFAOYSA-N	301.350	1.082	50	20	DDGD	
CO[C@H](C=NNC(=O)Cn1c(C)nc2ccccc21)C1CC1	853269142	PYQMOWJSENLSNM-OAHLLOKOSA-N	300.362	1.872	50	20	DDGD	
CNC(=O)NNC(=O)[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1	930585131	DSFBDFFLXLIFMB-MRXNPFEDSA-N	321.377	1.361	50	20	DDGD	
COc1ccccc1[C@H](C)N(CC(=O)NNC(=O)C1CC1)OC	932545531	NLQUIULWKPFQED-NSHDSACASA-N	321.377	1.177	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)N[C@@]1(CO)CCOC1	754597387	RGHWSGTYJTYMHK-DGCLKSJQSA-N	305.465	1.968	50	20	DDGD	
CCCCNC(=O)NNC(=O)C1=Cc2cc(OC)ccc2OC1	755238989	WNVPZLLORAPWOP-UHFFFAOYSA-N	319.361	1.602	50	20	DDGD	
Cc1cc(F)cc(C(=O)NNC(=O)NCC2CC2)c1[N+](=O)[O-]	758452300	BYTIGYPPOIBBOI-UHFFFAOYSA-N	310.285	1.396	50	20	DDGD	
O=C(NNC(=O)C1(c2cccc(F)c2)CCC1)c1cn[nH]c1	862473136	FQJVCWHYFGJWKT-UHFFFAOYSA-N	302.309	1.432	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1cccc(Br)c1	866111812	LLQJDJAJKYXONM-UHFFFAOYSA-N	307.151	1.865	50	20	DDGD	
C[C@@H](NNC(=O)c1cn(Cc2cccs2)nn1)C(F)(F)F	862311921	WQHPLNXUBLTYIF-SSDOTTSWSA-N	319.312	1.573	50	20	DDGD	
O=C(OCc1nc(O)n[nH]1)[C@@]12CC[C@@H](C[C@H]1Br)C2	869462521	VHYIQYPQMITLMI-MVKOHCKWSA-N	316.155	1.507	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cc[nH]1	862509955	YKQZBKWDMKWIQC-ZDUSSCGKSA-N	316.405	1.436	50	20	DDGD	
CN(C)c1ccc2c(c1)N(C)C(=O)C2=NNC(=O)c1cccnc1	761724117	PJZVLHNVMJMFAQ-UHFFFAOYSA-N	323.356	1.258	50	20	DDGD	
CC(=O)Nc1ccc(NCc2cccc(B(O)O)c2)cc1Cl	864019580	LWUGNHKDJHZKDJ-UHFFFAOYSA-N	318.569	1.590	50	20	DDGD	
C[C@H]1CN(c2ccc(C(=O)NNC(=O)N(C)C)cc2)C[C@@H](C)O1	865047531	QFFNJICRZFJMAR-TXEJJXNPSA-N	320.393	1.216	50	20	DDGD	
CC(C)(C)c1ccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1	860233379	KXVQQLPJWHNRCJ-GFCCVEGCSA-N	318.377	1.415	50	20	DDGD	
CC(C)[C@@H]1CCCCC1=NNC(=O)[C@H]1CCS(=O)(=O)C1	764675968	MUEXIJMEFNFLBI-RYUDHWBXSA-N	300.424	1.740	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC[C@H]([C@@H]2CCNC2)C1	866768293	AMQMVCQLBCYEPQ-OLZOCXBDSA-N	322.902	1.903	50	20	DDGD	
COC(=O)c1cc(Cl)cc(NC(=O)NNC(=O)C2CC2)c1	764673853	MXLOQXFWSKXKLK-UHFFFAOYSA-N	311.725	1.689	50	20	DDGD	
CC(=O)NNC(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1	765181218	JIKOKTMLHWLFBE-UHFFFAOYSA-N	322.365	1.884	50	20	DDGD	
CCCOc1cccnc1C(=O)NNc1ncnc2[nH]cnc12	760830694	GGUDFRDKZVNVIL-UHFFFAOYSA-N	313.321	1.294	50	20	DDGD	
CC(=O)N1CCc2c(NC(=O)NNc3cnccn3)cccc21	769260289	LUXQFRPWZZQJHH-UHFFFAOYSA-N	312.333	1.534	50	20	DDGD	
C[C@H](NNC(=O)c1ccc(N2CCOCC2)nc1)C(F)(F)F	862306145	DRZVCEYHDODPSF-VIFPVBQESA-N	318.299	1.103	50	20	DDGD	
CC(=NNC(=O)CS(C)(=O)=O)c1ccc(Cl)c(Cl)c1	863188290	BLGCVOQOKGDFQK-UHFFFAOYSA-N	323.201	1.878	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(N2CCCC2=O)cc1	768547736	SHUIOHPHRLQIEX-UHFFFAOYSA-N	319.365	1.511	50	20	DDGD	
CO[C@]1(CNC(=O)[C@H](Br)C(C)(C)C)CCOC1	768446085	FUUXTTGICRQPIB-CABZTGNLSA-N	308.216	1.718	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)Oc1cccc(CC(N)=O)c1	866675301	LFLXACPHNPBCKB-UHFFFAOYSA-N	319.810	1.688	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Nc2ccc(C)nc2)cc1	1116746540	SIUYSCUIKRCTAF-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(C)c(F)c2F)n1	864503226	HCTHVMNPZSXXDX-UHFFFAOYSA-N	322.315	1.548	50	20	DDGD	
Cc1cncc(CNC(=O)NNC(=O)c2ccccc2F)c1	760329633	OGGODNPMRAPPFX-UHFFFAOYSA-N	302.309	1.673	50	20	DDGD	
COCC(=O)NN=Cc1ccc(Br)cc1[N+](=O)[O-]	767793152	VWMSUHXWIMYOOO-UHFFFAOYSA-N	316.111	1.454	50	20	DDGD	
Cc1cc(NNC(=O)c2ccnn2CC2CCC2)nc(C)n1	878895627	IWPRYFXMMMSQKU-UHFFFAOYSA-N	300.366	1.847	50	20	DDGD	
O=C(NNc1cncc(Br)c1)c1csc(O)n1	1116859036	SNZJWZWMJMZQLM-UHFFFAOYSA-N	315.152	1.763	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H]2CC(=O)NNC(=O)C1CCC1	760538478	SSBBITOBALDHMF-NSHDSACASA-N	304.346	1.509	50	20	DDGD	
Cc1cc(=NNC(=O)NCCCCCCCN(C)C)cc[nH]1	875158971	VZDOTXWLYMMQNY-UHFFFAOYSA-N	307.442	1.950	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1nc(O)c2ccccc2n1	1116945804	WWNJTXMNHRCTRQ-UHFFFAOYSA-N	317.349	1.085	50	20	DDGD	
CCCNC(=O)CCC(=O)NNC(=S)Nc1cccc(C)c1	873774289	JBJXQSVONZTXCT-UHFFFAOYSA-N	322.434	1.619	50	20	DDGD	
CCOCCCC(=O)NNC(=S)Nc1ccccc1OC	873768153	WPRMUYMAFYBTSP-UHFFFAOYSA-N	311.407	1.830	50	20	DDGD	
O=C(CN1CCCC1)NNC(=O)c1nc2ccccc2s1	874913722	IWIZRMCPAFEFEJ-UHFFFAOYSA-N	304.375	1.153	50	20	DDGD	
O=C(Cc1c[nH]c2cnccc12)NNC(=O)CC(F)(F)F	1117744461	KLCLGPVUEIEZEC-UHFFFAOYSA-N	300.240	1.205	50	20	DDGD	
CO[C@H](C)CNC(=O)NNC(=O)c1nc2ccccc2s1	873066377	VFYJOOIQYWMWCB-MRVPVSSYSA-N	308.363	1.275	50	20	DDGD	
C[C@H](O)c1cn(CC(=O)NNc2cc(Cl)ccc2F)nn1	871271634	UICMBPGFFKPBLA-ZETCQYMHSA-N	313.720	1.267	50	20	DDGD	
CN(C)C(=O)NNS(=O)(=O)c1ccc2c3c(cccc13)CC2	872345976	ZTRCHHLPTZMILX-UHFFFAOYSA-N	319.386	1.403	50	20	DDGD	
COC(=O)COCCNC(=O)NNc1ccc(C)cc1Cl	875847625	SJGGULARUVGUTA-UHFFFAOYSA-N	315.757	1.464	50	20	DDGD	
COc1nccnc1NNC(=O)CCc1cccc2c1OCO2	771743459	AJGBLOBHYBPIDB-UHFFFAOYSA-N	316.317	1.290	50	20	DDGD	
CC(=NNC(=O)CCO)c1ccc(Br)cc1O	1116247607	VWGABZSYEZDNTH-UHFFFAOYSA-N	301.140	1.377	50	20	DDGD	
CC[C@H](Cc1cccc(C)c1)C(=O)NNc1nccn(C)c1=O	879072760	JYPMIAWGHVWHSC-CQSZACIVSA-N	314.389	1.801	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CNC2(CO)CCCCC2)cc1	776592176	ZVQBMBOVCUXJEU-UHFFFAOYSA-N	319.405	1.041	50	20	DDGD	
CC(=O)Nc1cccc(CNS(=O)(=O)CCCCl)c1	881789464	WCMLTVQKKZWQGD-UHFFFAOYSA-N	304.799	1.693	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccc(OC(F)F)cn1	772842815	DCCISKUTHUFEOS-UHFFFAOYSA-N	322.271	1.082	50	20	DDGD	
Cc1cccc2c1CN(C(=O)NNC(=O)c1cccnn1)CC2	883852115	HHSLEPQRAWHVRS-UHFFFAOYSA-N	311.345	1.198	50	20	DDGD	
O=C(C[C@@H]1CCc2ccccc2C1)NNC(=O)c1cccnn1	882060634	UDIVNLSDKFHZOF-GFCCVEGCSA-N	310.357	1.433	50	20	DDGD	
O=S(=O)(CCCCl)NCc1nncn1-c1ccccc1	881784811	NJYQGGYTHWMHHJ-UHFFFAOYSA-N	314.798	1.316	50	20	DDGD	
Cc1cccc(C[C@H](CO)NS(=O)(=O)CCCCl)c1	882114673	STVCAWPQVODHNX-CYBMUJFWSA-N	305.827	1.447	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCCCc2ccccc2)cn1	889041822	SDQKBKLORKVDIM-UHFFFAOYSA-N	300.362	1.594	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCc2scnc2C)cc1O	882050807	ICKXDDDDMUAUMS-UHFFFAOYSA-N	319.386	1.859	50	20	DDGD	
COC(=O)CC[C@H]1CCCN(S(=O)(=O)CCCCl)C1	882514237	BLLNQMKUMQRPFE-LLVKDONJSA-N	311.831	1.610	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H](C)[C@@H]2CCCOC2)n1	780042413	DAFYJOIXJRBIEB-GHMZBOCLSA-N	309.370	1.235	50	20	DDGD	
Cn1cc(-c2nn(C)cc2C(=O)NNc2cccc(C#N)c2)cn1	780948163	HHCNUHZINLDAOA-UHFFFAOYSA-N	321.344	1.449	50	20	DDGD	
C[C@H]1CC[C@@H](NC(=O)NNC(=O)c2cccc(N(C)C)c2)C1	780785173	WDOQTZVQGQYOTH-WCQYABFASA-N	304.394	1.885	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)Cn2ccc3ccccc32)CCCOC1	781159833	PAHDQNYGJRBGOD-KRWDZBQOSA-N	315.373	1.605	50	20	DDGD	
CC1(C)[C@H]2OCCC[C@H]2[C@H]1NC(=O)NNc1ccc(C#N)cn1	888382583	ALYHMWSNNJKKNU-YUTCNCBUSA-N	315.377	1.783	50	20	DDGD	
O=C(NC[C@H]1CC(=O)N(C2CC2)C1)NNc1ccc(F)cc1	780885029	AELVYPLBPHLOBD-SNVBAGLBSA-N	306.341	1.463	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)[C@H]1CCCCS1	783589301	PEISSABJWUSYFO-LLVKDONJSA-N	314.432	1.819	50	20	DDGD	
Cc1ncc2c(n1)CCC[C@@H]2NS(=O)(=O)CCCCl	881905058	MRXUAVXFXDQUCO-LBPRGKRZSA-N	303.815	1.711	50	20	DDGD	
CC(C)c1ccccc1NC(=O)C(=O)NNc1ncc(F)cn1	784949260	IHUWJNLYCPPRHA-UHFFFAOYSA-N	317.324	1.821	50	20	DDGD	
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NNc1ncncc1Cl	781005164	WJKDMIBKBMOPME-LDYMZIIASA-N	310.789	1.239	50	20	DDGD	
COCc1nc(C)c(C(=O)NNc2ncncc2Cl)s1	781835509	BMKMCXLEHQDKHI-UHFFFAOYSA-N	313.770	1.798	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCC(=O)NC(=O)NC1CCCC1	786671373	USXKTUOORRXKGO-YRNVUSSQSA-N	305.334	1.158	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCC(=NNC(=O)c2ccc(C#N)cc2)C1	788425317	OXKHZZQOYCMJEW-CQSZACIVSA-N	319.386	1.631	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccco1)c1cccc(Cl)c1	783525863	BBJFARIEIRQCDK-UHFFFAOYSA-N	300.723	1.556	50	20	DDGD	
COc1cc(C=NNC(=O)C(F)F)c([N+](=O)[O-])cc1OC	782235382	CEELQVOSQGAVGF-UHFFFAOYSA-N	303.221	1.327	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cc2nn[nH]c2cc1F	781956796	XEIPONXHXWXTGY-UHFFFAOYSA-N	316.252	1.762	50	20	DDGD	
C[C@]1(C#N)CCCN(C(=O)NNC(=O)c2ccc(C#N)cc2)C1	784252420	RWYDYGXOVITJGG-MRXNPFEDSA-N	311.345	1.538	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2cc(C#N)cc(Cl)n2)on1	781431729	LQNHBEBMULXELV-UHFFFAOYSA-N	321.680	1.138	50	20	DDGD	
C[C@@H](COCC(F)(F)F)NS(=O)(=O)CBr	782424810	HVYCLOQYPQOOPF-YFKPBYRVSA-N	314.123	1.226	50	20	DDGD	
OB(O)c1cccc(-c2noc([C@@H]3CCOC4(CCC4)C3)n2)c1	896943493	HYBKIOZXDLHAJL-GFCCVEGCSA-N	314.150	1.233	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)Cn1cnc2ccccc21	792808641	YTAQPKNJEPOWNM-NHYWBVRUSA-N	318.377	1.245	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNc1ccccc1S(C)(=O)=O	791068202	RQKDODYNBIUABN-NSHDSACASA-N	309.391	1.518	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@@H]1CCOC2(CCC2)C1	897550462	KPODGYNACBDSGB-LLVKDONJSA-N	301.350	1.522	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)N2CCN(C)CC2)[C@H](C)C1	790180983	GNMSMRAPJMCAGZ-CHWSQXEVSA-N	324.425	1.299	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cscc1Br	795623718	BNEZEGZXZLMGLS-UHFFFAOYSA-N	306.185	1.865	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)NCC(F)(F)F)cc1C=O	798315987	GZVFHOLSGCNBEE-UHFFFAOYSA-N	317.267	1.622	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NNc1ccccc1S(C)(=O)=O	793681218	IJPKAIQISONCKV-GHMZBOCLSA-N	324.402	1.539	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)c2cccc(C)n2)[nH]c1C	799487188	FTVYUWVWNPQILV-UHFFFAOYSA-N	314.345	1.967	50	20	DDGD	
Cc1ccc([C@H]2CCN(CC(=O)NNC(=O)C3CC3)C2)c(C)c1	791602525	DCNYDTKDQPGUEI-HNNXBMFYSA-N	315.417	1.650	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCC(F)(F)C1	796370972	OLLNAKVHYCPWIK-VHSXEESVSA-N	320.336	1.547	50	20	DDGD	
CCC[C@H](CCCS(C)(=O)=O)C(=O)NNc1cnccn1	790029480	QPKZTQJOCKEIKQ-LLVKDONJSA-N	314.411	1.161	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNC(=O)C2CCC2)cc(C)c1Cl	799834353	BFXPNJLNFKBKDO-UHFFFAOYSA-N	323.780	1.843	50	20	DDGD	
CC(=NNC(=O)NCC1CC1)c1cccc(N2CCC2=O)c1	794903058	BAOLMRKNXDFACR-UHFFFAOYSA-N	300.362	1.857	50	20	DDGD	
CN1CCCC(C)(C)[C@H]1CNC(=O)NNc1ccc(F)cn1	790541209	IJAHWNCPLZPJEI-GFCCVEGCSA-N	309.389	1.967	50	20	DDGD	
Cc1nc(C(=O)NNc2nncc(N)c2Cl)c2ccccn12	1319801204	SBUNGBGCRXOVJU-UHFFFAOYSA-N	317.740	1.425	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2ccc(C(C)(C)C)nn2)CCO1	1319712108	NMGSMJTXEYUPQV-QWRGUYRKSA-N	307.398	1.968	50	20	DDGD	
O=C(CCc1nc2cccnc2[nH]1)NNc1ccc(Cl)nn1	1318590042	WPFZKGMKYIZGHM-UHFFFAOYSA-N	317.740	1.477	50	20	DDGD	
Cc1nc([C@@H](C)NC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)no1	1323134064	FZZLQXLVKOAOIO-ACJFOYDFSA-N	324.344	1.681	50	20	DDGD	
CC(=NNC(=O)C[n+]1ccccc1)c1cn(-c2ccccc2)nn1	1324190603	AHFSGHJNGMIWBF-UHFFFAOYSA-O	321.364	1.095	50	20	DDGD	
O=C(COCc1ccncc1)NNc1cccc([N+](=O)[O-])c1	1323276866	GMIYDGPNAAZVBP-UHFFFAOYSA-N	302.290	1.650	50	20	DDGD	
O=C(CCO)NN=C1CCN(C2CC2)[C@@H](c2ccccc2)C1	1331451703	FJSHYQFMYBKOGA-MRXNPFEDSA-N	301.390	1.841	50	20	DDGD	
CC(C)[C@@H](Cc1ccccc1)NC(=O)NNC(=O)c1cn[nH]c1	1331334447	GDCJDCCEEYMBPU-CQSZACIVSA-N	315.377	1.621	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1c(C)nc2sccn12	1332321110	YFWXYLOSTPCSIT-WDEREUQCSA-N	306.391	1.969	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2cnc3nccn3c2)nn1	1262016133	LBXOYOQOBCEWBS-UHFFFAOYSA-N	311.349	1.574	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cnn2c1N[C@@H](C)C[C@H]2C(F)F	1347250966	SFOIILWCDCSOKI-CBAPKCEASA-N	315.324	1.310	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)N[C@@H]1CCCCC12CCCC2	1348554892	HQINMFVQCAEZOW-CQSZACIVSA-N	322.453	1.819	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)COCc2cccnc2)cc1	1347467608	NTSZVZIRAMSWST-UHFFFAOYSA-N	315.329	1.068	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2ccc(C(C)(C)C)nn2)cn1C	1346307753	UVIQVRUPHWJAOO-UHFFFAOYSA-N	315.377	1.538	50	20	DDGD	
Cn1ccc(NNC(=O)[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)n1	1347977533	HXASMRMSPPLQRM-MNOVXSKESA-N	323.397	1.557	50	20	DDGD	
C[C@@H](NNC(=O)c1cc(C(F)(F)F)n(C)n1)C(F)(F)F	1352452120	KNBPIIJPVCQXGT-SCSAIBSYSA-N	304.194	1.624	50	20	DDGD	
O=C(CNC(=O)C1CCC(Cl)CC1)NCC(F)(F)F	1520800065	MDLHFKBCJNOGRY-UHFFFAOYSA-N	300.708	1.579	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNc1ccc(F)c(C(=O)O)c1	1606491439	HRXVVSUBKGDADI-UHFFFAOYSA-N	313.285	1.102	50	20	DDGD	
Cc1c(NNC(=O)NCCn2cccc2)cccc1C(=O)O	1600053881	XOFLIZVGKGHRLK-UHFFFAOYSA-N	302.334	1.821	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@H]2CCCc3n[nH]cc32)c1	1608935841	LLDGFIVPQCTJFF-NSHDSACASA-N	300.318	1.671	50	20	DDGD	
Cn1cc(C(=O)O)c(NC(=O)NNc2ccc(F)c(F)c2)n1	1600936173	GAZSXUJTKGJSLE-UHFFFAOYSA-N	311.248	1.545	50	20	DDGD	
Cc1c(NNC(=O)[C@]2(C)CCNC(=O)C2)cccc1C(=O)O	1607551001	UMTLULQYZIWJBB-OAHLLOKOSA-N	305.334	1.053	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@H](CC(=O)O)C2CC2)nc1	1607277230	CBVPYFGXBXWGCE-JTQLQIEISA-N	308.338	1.217	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)Cc2ccc(O)c(O)c2)cc1	1602127753	YFALRDDUSQGYFP-UHFFFAOYSA-N	316.313	1.411	50	20	DDGD	
O=C(CCc1ccccc1C(=O)O)NNc1ncccc1F	1601290915	LDUKHOFUDFIKJE-UHFFFAOYSA-N	303.293	1.995	50	20	DDGD	
CC(C)[C@@]1(C)C[C@@H]1NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1603237566	DFHHXPOZGXZXNG-IINYFYTJSA-N	316.369	1.322	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H](C(=O)O)C2CC2)c1C	1605344961	IXUQYCMMUSZPKI-GFCCVEGCSA-N	321.402	1.732	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CC(F)(F)F)cc1C(=O)O	1610508587	SKJHKGZOIJOCLI-UHFFFAOYSA-N	319.239	1.798	50	20	DDGD	
COCC1CCC(=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)CC1	1549315447	PBXAYDIFNRJLQN-ZRNAQANOSA-N	309.410	1.158	50	20	DDGD	
CCn1nncc1C(=O)NNc1ccc(C(=O)O)c(Cl)c1	1610088799	ZQECWQFWKOWJJK-UHFFFAOYSA-N	309.713	1.407	50	20	DDGD	
O=C(NCCC1=CCNCC1)NNc1ccc(C(=O)O)cc1F	1610691429	ZBBCSJUVQFQKLB-UHFFFAOYSA-N	322.340	1.460	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NN=C[C@H]2CCCO[C@H]2c2ccnn2C)O1	1552673098	VKJXDPIEWSOLDL-QHSBEEBCSA-N	320.393	1.557	50	20	DDGD	
CNNC(=O)CCc1nc(O)c2c3c(sc2n1)C[C@@H](C)CC3	1578745321	UJCQAXIUVQMLFV-QMMMGPOBSA-N	320.418	1.705	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)C(C)(C)c1ccccc1)[C@@H](C)N	1575415637	UQRXRAQWNQGPPH-TZMCWYRMSA-N	305.422	1.731	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)nc1C	1581171032	NNCSIPQKRUUAAT-UHFFFAOYSA-N	310.321	1.030	50	20	DDGD	
C[C@H](CC(=O)O)NC(=O)NNC(=O)Nc1ccc(Cl)cc1	1589001564	MNBXJRAEMOSQQE-SSDOTTSWSA-N	314.729	1.539	50	20	DDGD	
C/C=C/C(=O)N1CCCC12CN(C(=O)[C@H](Cl)COC)C2	1845963934	BSFOBMHRAJQGHA-JOAKQRRISA-N	300.786	1.020	50	20	DDGD	
C=CC[C@@H](NNC(=O)c1ccc(OC(C)C)c(OC)c1)C(=O)O	1588749048	DGIBORQVZAAVDE-GFCCVEGCSA-N	322.361	1.746	50	20	DDGD	
CC(=NNC(=O)c1n[nH]c2c1CCCC2)c1cc(C(=O)O)co1	1589016589	BUZKJDLJUFJLDM-UHFFFAOYSA-N	316.317	1.734	50	20	DDGD	
CC(=O)N1CC2(CCCN2C(=O)[C@@H](C)CBr)C1	1841286903	HXYSOVDEDCYLPR-VIFPVBQESA-N	303.200	1.241	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NNc2ccc(C(=O)O)cc2F)C1	1594377610	AKMNAMWKVAWSSW-SECBINFHSA-N	323.324	1.226	50	20	DDGD	
COc1cc(NC(=O)NN=c2cc[nH]cc2)ccc1C(=O)O	1599440188	OQQJDJBFMGMFIQ-UHFFFAOYSA-N	302.290	1.359	50	20	DDGD	
COc1cc(C(=O)NNc2cccc(F)c2C(=O)O)ccn1	1599355033	CGDOOMUJPVLWEG-UHFFFAOYSA-N	305.265	1.684	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1c(F)cc(C(=O)O)cc1F	1776077966	QIPKEGQQLQNCSD-UHFFFAOYSA-N	320.255	1.636	50	20	DDGD	
CSc1ccc(Cl)cc1NC(=O)NNC(=O)CN(C)C	158494779	KBLVUZCDROJZMY-UHFFFAOYSA-N	316.814	1.776	50	20	DDGD	
CCCNC(=O)CCC(=O)NNc1cnc2ccccc2n1	163415884	NUAXMIBXBGPZBX-UHFFFAOYSA-N	301.350	1.379	50	20	DDGD	
O=C(Cc1ccccc1O)NNc1ccc(C(F)(F)F)nn1	151829749	IVQWXCPYCYSQTK-UHFFFAOYSA-N	312.251	1.887	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)o1	155773583	OIJLFIWTCIGBHX-ZDUSSCGKSA-N	323.393	1.452	50	20	DDGD	
COc1ccc(NNC(=O)Cc2ccc(OCC#N)cc2)nc1	159396734	DMJNQLMULIEEOP-UHFFFAOYSA-N	312.329	1.678	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CC1CCC2(CC1)OCCO2	492751002	WOPOVOLSHZIHJM-UHFFFAOYSA-N	314.382	1.866	50	20	DDGD	
CC1(C)CCN(CCI)CC[S@@]1=O	832026323	UNVMHYVJOGHPLC-ZDUSSCGKSA-N	315.220	1.654	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)C1CCC(O)CC1	862288457	MBWNXMHELXYVDA-UHFFFAOYSA-N	306.362	1.837	50	20	DDGD	
COCCCN(C)C(=O)NNC(=O)CCCc1ccccc1	103516679	ITXARZHELGTOAY-UHFFFAOYSA-N	307.394	1.718	50	20	DDGD	
O=C(CC[C@H]1CCCCO1)NNc1nc(-c2ccncc2)no1	110682383	LENCHDSYGWUNBF-GFCCVEGCSA-N	317.349	1.924	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)Cc1ccc(Cl)cc1)N(C)C	106455278	YBCODNFIJXQMGN-CQSZACIVSA-N	311.813	1.616	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)c1cccc(C#N)c1)c1ccccc1	103401856	UIXQVTZOWSPCFU-HNNXBMFYSA-N	309.325	1.707	50	20	DDGD	
Cc1cccc(CC(=O)NNC(=O)c2c(C)nc3ccccn23)c1	102634059	ZEWKUCDKWSKLIW-UHFFFAOYSA-N	322.368	1.955	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNC(=O)Cc1ccccc1OC	68512069	BODNBBQXBAPCEL-GFCCVEGCSA-N	308.378	1.590	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@H]2C[C@@H]3CC[C@@H]2O3)c1	113784611	QILDVOHWGXUXKL-IHRRRGAJSA-N	303.362	1.081	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(N2CCC(C)CC2)nc1	171349067	ADXGKTNNYMEIFU-UHFFFAOYSA-N	306.366	1.709	50	20	DDGD	
O=C(NCc1ccco1)NNS(=O)(=O)c1ccccc1F	64939867	ABDQZVKCDAEFSI-UHFFFAOYSA-N	313.310	1.111	50	20	DDGD	
Cc1cccc(C)c1OCC(=O)NNC(=S)N[C@H](C)C1CC1	171168561	ATCWYDGSAACCMN-GFCCVEGCSA-N	321.446	1.976	50	20	DDGD	
CN(C)[C@@H](C(=O)NNC(=O)c1ccc(C#N)cc1)c1ccccc1	61633958	ORFMFPVARKIZRT-MRXNPFEDSA-N	322.368	1.622	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccc[nH]2)c1C	61204399	GBEUHDAVIJPSLT-LBPRGKRZSA-N	301.346	1.860	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)CCc2ccccc2O)[nH]n1	174956563	ZVUGNIPMYYUUJW-UHFFFAOYSA-N	316.361	1.462	50	20	DDGD	
Cn1ccc(C(=O)NNC(=O)CCCc2ccccc2)cc1=O	68052915	YIOYCSPZYYSGAD-UHFFFAOYSA-N	313.357	1.169	50	20	DDGD	
C[C@H](CS(C)(=O)=O)C(=O)NNc1ccc(OC(F)F)cc1	122527705	MJMZCHRNIDPRTK-MRVPVSSYSA-N	322.333	1.412	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cccn2C)ccc1Cl	124196437	YVACCJHKHOWHKF-UHFFFAOYSA-N	307.737	1.762	50	20	DDGD	
CCOC(C)(C)CNC(=O)NNC(=O)CCc1ccccc1	187574397	UFLJMENLKMUDHJ-UHFFFAOYSA-N	307.394	1.765	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@H](C)C(=O)NNc1ncc(F)cn1	123026790	RYPCHTXZVLVZBX-QMMMGPOBSA-N	306.345	1.288	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3cc[nH]n3)[nH]n2)cc1	127098911	BBNUNSWFMMXOFG-UHFFFAOYSA-N	310.317	1.183	50	20	DDGD	
C[C@@H](NC(=O)C(C)(C)C)C(=O)NNc1nnc(C2CC2)s1	184489372	KRXSWEPQQMVCFB-SSDOTTSWSA-N	311.411	1.409	50	20	DDGD	
Cn1cnc(-c2ccc(C(=O)NNC(=O)C(C)(C)C)cc2)n1	183555202	YRJITTSEEOKFQX-UHFFFAOYSA-N	301.350	1.289	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CC(=O)NNC(=O)c1ccncc1	124081872	BYPWKQHDLPGXFH-SECBINFHSA-N	302.334	1.641	50	20	DDGD	
COCCC[C@H](C)C(=O)NNC(=O)COCc1ccccc1	182764477	IEBOFRREZNAPCL-ZDUSSCGKSA-N	308.378	1.413	50	20	DDGD	
CC(C)(C)c1nc2cc(NC(=O)NNC(=O)CO)ccc2o1	185285093	KRXPFOHURMYIEC-UHFFFAOYSA-N	306.322	1.270	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCO[C@H](c2ccccc2C)C1	126149323	HIPPLELFGVHXFA-ZFWWWQNUSA-N	319.405	1.314	50	20	DDGD	
C[C@@H]1CCCN(CCCCNC(=O)NNC(=O)c2ccc[nH]2)C1	128797617	LWGMIEQSIAAYLL-CYBMUJFWSA-N	321.425	1.471	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNc1cccc(S(C)(=O)=O)c1	182681826	DAKHLEGRDYDVQI-LLVKDONJSA-N	314.407	1.596	50	20	DDGD	
O=C(Cc1cccc(F)c1)NNC(=O)Cc1ccccc1F	77230241	RVCDLAWWTKAIEA-UHFFFAOYSA-N	304.296	1.897	50	20	DDGD	
CCCCCOCC(=O)NNc1nc(-c2ccncc2)no1	76452901	ZGDUBBJOTDFYMQ-UHFFFAOYSA-N	305.338	1.782	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1c(F)cc(F)cc1F	184495670	JVZHTXAZCFWZKW-UHFFFAOYSA-N	317.267	1.236	50	20	DDGD	
O=C(CNC(=O)c1cccc(Cl)c1)NNc1ncccn1	45075453	OBDPSCBFRUDJTO-UHFFFAOYSA-N	305.725	1.003	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cnc(C)nc2C)cc1	181877105	FPXQUQZKAJKABO-UHFFFAOYSA-N	313.361	1.275	50	20	DDGD	
Cc1nc(NC(=O)C(=O)NNC(=O)c2ccccc2)sc1C	191089059	YCLPTWGWUXKLNF-UHFFFAOYSA-N	318.358	1.160	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1ccc2c(c1)OCCCO2	195138700	OGUTWLQAADNWRT-UHFFFAOYSA-N	301.302	1.251	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(Cl)cc1Cl	42901384	FBESUWCFSHZGBK-UHFFFAOYSA-N	320.176	1.974	50	20	DDGD	
CCn1cc(NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cn1	48350849	NISUATGWTIEBQG-UHFFFAOYSA-N	318.293	1.278	50	20	DDGD	
Cc1ccc(Nc2cccc(C(=O)NNC(=O)N(C)C)c2)nn1	134708986	FBFSLDQSBCCCCM-UHFFFAOYSA-N	314.349	1.445	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C[C@@H]1CCCO1	46755759	VBKWZGBADPCFHI-MFKMUULPSA-N	310.325	1.310	50	20	DDGD	
C[C@@H](NC(=O)c1cccs1)C(=O)NNC(=O)CC1CCCC1	195213665	GVKIVEKNEDYXJL-SNVBAGLBSA-N	323.418	1.594	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cc(O)nc2cc(F)ccc12	266011591	PDICEPDOINBAJI-UHFFFAOYSA-N	303.293	1.641	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)o1	268106807	BJXPBSOQFVXBTK-CABZTGNLSA-N	306.366	1.015	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)COc2cc(C)cc(C)c2)O1	268259869	DRRDCPRVIAZFEM-UKRRQHHQSA-N	320.389	1.787	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCCOc1cccc(C(C)=O)c1	271240950	AAVOPWZRIVDDGE-UHFFFAOYSA-N	321.377	1.741	50	20	DDGD	
CCC(C)(C)CNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	277485501	OAHBNXALLFEPFC-ZDUSSCGKSA-N	321.377	1.593	50	20	DDGD	
COC1(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)CCC1	272907233	KUPNKCFOZFQKHP-SNVBAGLBSA-N	310.325	1.310	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@H]2CCCN2C2CC2)n1	278495414	HZDRRPBBQKGJBO-CYBMUJFWSA-N	318.425	1.393	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)Nc1cc(Cl)ccc1F	274103943	XJZVLQXHOCWQKP-UHFFFAOYSA-N	313.716	1.365	50	20	DDGD	
Cn1cc([C@@H](CO)NC(=O)[C@H](Br)C(C)(C)C)cn1	274375181	LPFWUNDVULYGIX-ZJUUUORDSA-N	318.215	1.379	50	20	DDGD	
C[C@H]1COc2ccccc2CN1S(=O)(=O)CBr	273036063	VOYFQBXVASBVEK-VIFPVBQESA-N	320.208	1.952	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccccc1S(C)(=O)=O	273350251	SWIBYDRQJTVYJG-VIFPVBQESA-N	313.379	1.289	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCCOc1ccc(OC)cc1	271357935	MWBGGBHACYRNHK-UHFFFAOYSA-N	309.366	1.547	50	20	DDGD	
COc1cccc(NNC(=O)NCc2ccc(N(C)C)nc2)n1	272416241	MMMZRYGZMTXBKN-UHFFFAOYSA-N	316.365	1.378	50	20	DDGD	
C[C@H](C(=O)N1CC=C(C#N)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	272663870	IGYPKCIERGMMKO-MRVWCRGKSA-N	315.373	1.232	50	20	DDGD	
COC(=O)NNC(=O)c1ccccc1S[C@@H](C)C(=O)OC	274322837	XRVITCLQVQCKFZ-QMMMGPOBSA-N	312.347	1.341	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)CCCCCO	279551973	PEXWSXLEJGVEGX-UHFFFAOYSA-N	301.818	1.973	50	20	DDGD	
CCC1(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCOCC1	272263048	XGUWMVWSCKCWOZ-UHFFFAOYSA-N	321.333	1.563	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1ccc(Cl)s1	283128882	ILILNNIMTLLAOH-UHFFFAOYSA-N	305.787	1.311	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(C#N)cc1)S(=O)(=O)C1CC1	285307774	PEKHMZSVBPEGSD-UHFFFAOYSA-N	307.375	1.357	50	20	DDGD	
Cc1ccc(NNC(=O)NCCCc2cccc(C)n2)nn1	286717308	CDIPQFFMVHTIKK-UHFFFAOYSA-N	300.366	1.747	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)Nc1cccc(C2OCCO2)c1	808860836	PGWIZCHANUHTSU-UHFFFAOYSA-N	300.318	1.698	50	20	DDGD	
CC[C@H]1CN([C@H](CC)C(=O)NNc2ncccc2F)CCO1	804216778	YZKCNFDPACYBPC-WCQYABFASA-N	310.373	1.553	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCCC2)NNC(=O)[C@@H]1CCCCO1	295582903	OMIQMKFEOCFBHD-INIZCTEOSA-N	316.401	1.824	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNc1cc(Cl)nc(N)n1	807208569	SBBSYWSXQHTULB-UHFFFAOYSA-N	315.761	1.135	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1snnc1C1CC1	291534651	OASMRJALBQCARR-UHFFFAOYSA-N	307.335	1.153	50	20	DDGD	
NC(=O)c1ccccc1NCC(=O)NNc1cc(Cl)ccn1	809752824	WCNOQAGBIZFTQC-UHFFFAOYSA-N	319.752	1.389	50	20	DDGD	
N#C[C@]1(C(=O)NNC(=O)CNc2ccccc2)CC12CCCC2	294935810	BKHNETMNEGKVNP-KRWDZBQOSA-N	312.373	1.720	50	20	DDGD	
CC1(C)CN(CC(=O)NNC(=O)c2ccccc2)[C@H]2CCC[C@@H]21	293224531	YDCYWWKPBDAGRD-GJZGRUSLSA-N	315.417	1.958	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)ccn1	295394749	LTIZRISEONUZTM-LBPRGKRZSA-N	307.350	1.199	50	20	DDGD	
N#Cc1ncn(CCNC(=O)NNc2ccccc2Cl)n1	807510488	XSTQHIXMIOUCRM-UHFFFAOYSA-N	305.729	1.129	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Nc1nc(C)n(C)n1)c1ccccc1	297431769	OWSAJCHPJULBQF-LBPRGKRZSA-N	316.365	1.470	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2coc(C)n2)c(C)c1	801602067	VFMIYEOSFADXPO-UHFFFAOYSA-N	302.334	1.473	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1cccnc1)c1ccsc1	801013511	YBPLBPBVXALFMZ-JTQLQIEISA-N	304.375	1.777	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)[C@H]1CCCCO1)c1ccccn1	296990852	UIONVNMUJZECKD-GFCCVEGCSA-N	320.393	1.259	50	20	DDGD	
CCc1noc(NC(=O)NNC(=O)C(C)(C)c2ccccc2)n1	296628488	ASLPRBUPAMCCJR-UHFFFAOYSA-N	317.349	1.763	50	20	DDGD	
Cc1nc2ccnn2c(C)c1C(=O)NNc1cccc(F)n1	804768985	CTSMBRYNMSRSMF-UHFFFAOYSA-N	300.297	1.637	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2ccc(Cl)c3nonc23)CC1	292785254	RCFUSKCMHIMKSE-UHFFFAOYSA-N	324.749	1.721	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1nc(O)cc(C(F)F)n1	809984806	AKZIWWSYBWRBSV-YFKPBYRVSA-N	320.321	1.158	50	20	DDGD	
Cc1cc2ccc(C(=O)NNC(=O)Cc3cccnc3)cn2c1	806793089	JAACYFXCPVUBAK-UHFFFAOYSA-N	308.341	1.646	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@@H]1CCCN1C(=O)C(F)(F)F	807216428	XBILVPNWPHEJDG-QMMMGPOBSA-N	320.246	1.217	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@H](c1ccco1)N1CCCC1	298685090	YNNJKMWJBIQMCT-CYBMUJFWSA-N	322.409	1.793	50	20	DDGD	
COC(=O)c1ccc(Cl)c(C(=O)NNc2cccnn2)c1	810422090	CHTZTJJFKLGPKA-UHFFFAOYSA-N	306.709	1.674	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1ccc(Br)o1	814760760	FLYJBILAVXYJNQ-UHFFFAOYSA-N	314.139	1.115	50	20	DDGD	
CCc1c(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)ccn1C	811276038	RWYOXQHHKIEZAI-LLVKDONJSA-N	323.393	1.326	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)o1	816595422	NODCHNCFLXPERK-UHFFFAOYSA-N	306.228	1.896	50	20	DDGD	
C[C@H]1CN(c2ccnc(C(=O)NN(C)C3CC3)c2)C[C@H](C)O1	819651020	DBLZQDYRGGLHRL-RYUDHWBXSA-N	304.394	1.434	50	20	DDGD	
C[C@H]1C(=NNC(=O)C(C)(C)O)CCCN1Cc1ccccc1	814910136	RLNQKAMOIRLPOW-ZDUSSCGKSA-N	303.406	1.914	50	20	DDGD	
COc1ccc(CNC(=O)NNc2ncncc2F)c(F)c1	814312156	WXMRVDMVYNAUJC-UHFFFAOYSA-N	309.276	1.590	50	20	DDGD	
Cc1cc(C)c(S(=O)(=O)NNC(=O)c2ccccn2)s1	814209943	HOAGGESNBSUFAF-UHFFFAOYSA-N	311.388	1.383	50	20	DDGD	
COc1ccc(NC(=O)NN=Cc2ccc(C(N)=O)cc2)cc1	814998859	AOJUUWNGPZQFTF-UHFFFAOYSA-N	312.329	1.950	50	20	DDGD	
O=C(COCc1ccccc1)NN=Cc1c[nH]c(C(=O)O)c1	814853295	CFVKTSOPULXTGZ-UHFFFAOYSA-N	301.302	1.380	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@]2(C)CCN(C(C)=O)C2)cc1	817895924	JCSKDJAOEYNAQA-INIZCTEOSA-N	305.378	1.787	50	20	DDGD	
O=C(NN=C1CCS(=O)CC1)Nc1ccc2c(c1)OCO2	814994376	XHRHZMLNAQBAEF-UHFFFAOYSA-N	309.347	1.435	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Cc2cc(C)no2)cc1	816819715	NMHHXSFYWNJMNP-UHFFFAOYSA-N	303.318	1.060	50	20	DDGD	
COc1cnc(C(=O)NNc2ncc(Cl)cc2Cl)nc1	816172977	MHSYAALRSRESTG-UHFFFAOYSA-N	314.132	1.944	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)c2ccccc21)c1ccc[nH]1	725854407	OZKNINUVEDUBQN-UHFFFAOYSA-N	303.343	1.326	50	20	DDGD	
COc1ccc(C=NNC(=O)Nc2ccc3c(c2)OCO3)cn1	814993609	AZRMCQJFMPLRSB-UHFFFAOYSA-N	314.301	1.975	50	20	DDGD	
O=C(NCCOCCF)NNc1ccc([N+](=O)[O-])cc1F	824320421	GZPDNMKEIZQCEP-UHFFFAOYSA-N	304.253	1.346	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@@H]1CCC[C@H]1C1CC1	826963203	MLKJASBAXGJETF-PYJNHQTQSA-N	309.410	1.568	50	20	DDGD	
O=C(NCC1CC1)NN=Cc1ccc(-c2nn[nH]n2)cc1F	823170919	LSPZCVBKGWRYRA-UHFFFAOYSA-N	303.301	1.049	50	20	DDGD	
O=C(CCc1nc(-c2nc[nH]n2)no1)NNc1ccc(F)cc1	729310908	XZRSZXBDDAZKLF-UHFFFAOYSA-N	317.284	1.070	50	20	DDGD	
O=C(/C=C\c1cncc(O)c1)NNc1ccc(-c2nn[nH]n2)cc1	826403564	VUVOLSGUPAFNKH-BHQIHCQQSA-N	323.316	1.124	50	20	DDGD	
CCCCC[C@H](O)C(=O)NNc1nc(-c2cccnc2)no1	823232370	SHEMOPXEDNSFIH-NSHDSACASA-N	305.338	1.516	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1c2ccccc2SC[C@@H]1C	828364766	JDOACEXLKZLYCX-NSHDSACASA-N	307.419	1.791	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)c1cc2ccccc2o1)C(=O)O	826586015	WDFHPKFOUGEHFW-UHFFFAOYSA-N	319.317	1.488	50	20	DDGD	
CCN(CCO)NC(=O)c1coc(-c2c(F)cccc2F)n1	823893260	BTYOITRUYURZGG-UHFFFAOYSA-N	311.288	1.579	50	20	DDGD	
CCOC(=O)c1cc(C(=O)NNC(=O)CC(F)(F)F)[nH]c1C	825505391	HMNRWFRBSKCPHU-UHFFFAOYSA-N	321.255	1.213	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CSC(F)(F)F)c1	728825266	QXLWSVOPYGCNQZ-UHFFFAOYSA-N	303.265	1.572	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)NOCC2CCC2)cc1	824062754	VDNAOFVTMLEHCP-UHFFFAOYSA-N	321.381	1.820	50	20	DDGD	
O=C(CSC(F)(F)F)NNc1ccc(-c2nn[nH]n2)cc1	826419682	HRHPPHRSNJHKAU-UHFFFAOYSA-N	318.284	1.563	50	20	DDGD	
CC(C)OCC(=O)NNC(=O)c1cccc(OC(F)F)c1	728485943	AZFWPAJTXFHQDJ-UHFFFAOYSA-N	302.277	1.474	50	20	DDGD	
O=C(CCC(=O)N1CC[C@H](B(O)O)C1)c1ccc(F)cc1F	585068741	GSMAOMZABZZYCP-VIFPVBQESA-N	311.093	1.003	50	20	DDGD	
O=C(/C=C\C1CCCC1)NNC(=O)[C@@H]1COc2ccccc2O1	493208906	QRDIKVLWXMQSHM-KVPUOBJLSA-N	316.357	1.720	50	20	DDGD	
Cc1noc([C@@H](C)NC(=O)NNC(=O)c2ccccc2F)n1	726278702	JSUITSMLHBDITE-SSDOTTSWSA-N	307.285	1.222	50	20	DDGD	
CCN(CCO)NC(=O)c1cnn(-c2cccc(Cl)c2)c1C	823847106	RHIKGYLWXUIMSN-UHFFFAOYSA-N	322.796	1.793	50	20	DDGD	
Cc1cc(C=NNC(=O)CN(C)C)c(C)n1-c1nccs1	727648118	UONCBJRRUICZOT-UHFFFAOYSA-N	305.407	1.562	50	20	DDGD	
Cc1ccc2c(c1)[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@H]1C)CC2	825947111	DXOGARDBDLIGON-CORIIIEPSA-N	317.389	1.738	50	20	DDGD	
CC(C)c1ccccc1OCCNCc1cccc(B(O)O)c1	585030172	XMVHGFUHVNRIHS-UHFFFAOYSA-N	313.206	1.658	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cccc2c1OCC2	901195778	JGGHKERJYIBJLI-UHFFFAOYSA-N	303.362	1.376	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)Cc1ccc(Br)c(F)c1	823939528	LKZHEYMSHOMPFH-MRVPVSSYSA-N	319.174	1.475	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNC(=S)Nc2ccccn2)cc1	821544220	KXHOYXITVCSMSY-UHFFFAOYSA-N	316.342	1.411	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCN1C1CCCC1)c1ccncc1	823533275	JIIFSOFSKIVGFF-OAHLLOKOSA-N	316.405	1.640	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2C[C@@H]2C(=O)O)c2ccccc2n1	738331879	AFMGQVWVZBBRMS-RYUDHWBXSA-N	313.313	1.025	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2nn(C)c3c2CCCC3)o1	826757652	GBMNHCXBRDIEQF-UHFFFAOYSA-N	302.334	1.275	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O	490975751	PRMJNKWTBWETDM-VNDWYCCKSA-N	317.320	1.491	50	20	DDGD	
CC1=C(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCCO1	824852872	SMKBWJSWOQCNKU-UHFFFAOYSA-N	300.322	1.394	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)C(C)C)c(C)c1C	735265996	UHPLZKMZNRGDRV-UHFFFAOYSA-N	300.380	1.278	50	20	DDGD	
O=C(Cc1cccc(Cl)c1Cl)N1CC[C@H](B(O)O)C1	585067516	XHSGELLKDQTRIF-VIFPVBQESA-N	301.966	1.611	50	20	DDGD	
COc1ccc(CCCC(=O)N2CC[C@@H](B(O)O)C2)cc1OC	902552625	QRSSBPWUNNGDLV-CYBMUJFWSA-N	321.182	1.102	50	20	DDGD	
Cn1cc(-c2cncc(C(=O)NNC(=O)C3CCCC3)c2)cn1	731166615	VHKNSULELOIWBE-UHFFFAOYSA-N	313.361	1.433	50	20	DDGD	
CCCN(NC(=O)[C@@H]1C[C@@H]1C(=O)OC)C(=O)OC(C)(C)C	495760724	POLPZUHMGCXYJF-ZJUUUORDSA-N	300.355	1.474	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCCCc2sccc21	584983785	OXTAYXSSJKXCOB-UHFFFAOYSA-N	301.176	1.411	50	20	DDGD	
COc1cccc(C=NNC(=O)Cc2cc(O)nc(S)n2)c1	730586666	ABUYLYYOIWOUBC-UHFFFAOYSA-N	318.358	1.172	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)c1ccnc(Cl)c1	730782550	PIVZLDWTWJQAIK-UHFFFAOYSA-N	321.720	1.281	50	20	DDGD	
C[C@@H]1C[C@@H](C)CN(CCCNC(=O)NNC(=O)C2CCC2)C1	732240853	NJDNCKRGCPOGAF-CHWSQXEVSA-N	310.442	1.485	50	20	DDGD	
COc1ccc(C=NNC(=O)c2ccc[nH]2)c(OCC(=O)O)c1	734363622	MUBIDGUJOOIGQR-UHFFFAOYSA-N	317.301	1.251	50	20	DDGD	
CC(C)COc1ncccc1C(=O)Nc1cccc(B(O)O)c1	584910084	MMRVWAMPCJCZLG-UHFFFAOYSA-N	314.150	1.049	50	20	DDGD	
Cc1nn(C(C)C)cc1-c1nc(-c2ccc(B(O)O)cc2)no1	585052319	YUANLVCTAOFMLH-UHFFFAOYSA-N	312.138	1.169	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCC(C)(C)OC)cc1F	838495187	KXHTUKBDKCYDAR-UHFFFAOYSA-N	313.329	1.663	50	20	DDGD	
CC(C)=CCC[C@@H](C)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	838658315	WVBKODKWJPQJGX-OCCSQVGLSA-N	317.455	1.502	50	20	DDGD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NNc1cccc(C(=O)O)c1	833537254	ZEIRHJGUSLYWDV-GWCFXTLKSA-N	308.334	1.412	50	20	DDGD	
CC(=O)N[C@@H](CC(C)C)C(=O)NNc1ccccc1C(=O)O	833397948	RXPDBEAWNJTSBQ-ZDUSSCGKSA-N	307.350	1.379	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H](C)N2C(=O)CCC2=O)c(Cl)c1	836938868	YQSOZBYSJLVUMB-VIFPVBQESA-N	309.753	1.629	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc([C@@H]2CCOC2)cc1	836696902	JSZYXNHXEBJIIG-GFCCVEGCSA-N	307.350	1.380	50	20	DDGD	
CSC[C@H](C)C(=O)OCC(=O)NNC(=O)c1cccs1	731391892	PJVWLXLXHNQJHJ-QMMMGPOBSA-N	316.404	1.051	50	20	DDGD	
CCC[C@@H](C)N(C)CC(=O)NNC(=O)c1ccc(C#N)cc1	839461746	DDDLFPIVDWIRGB-GFCCVEGCSA-N	302.378	1.440	50	20	DDGD	
CCn1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)OC)c2)cn1	733934860	KTJKBQQTGSCDGZ-UHFFFAOYSA-N	319.273	1.817	50	20	DDGD	
O=C(Nc1ccccc1)N1CC[C@H](NS(=O)(=O)CCl)C1	831416408	PUZOBLIALRNJOF-NSHDSACASA-N	317.798	1.409	50	20	DDGD	
CCNC(=O)NNC(=O)c1cn(CC)nc1-c1ccccc1	900386517	YWELJBBSLVHOGX-UHFFFAOYSA-N	301.350	1.534	50	20	DDGD	
COCCC1(CNC(=O)c2cccc(B(O)O)c2)CCCCC1	584977830	RVDPWKOVEDPFHJ-UHFFFAOYSA-N	319.210	1.083	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@H](C)CSC)c1	731326390	GKZKROJYQRIEFZ-SECBINFHSA-N	312.391	1.464	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1cccc2ncccc12)N(C)C	836623271	ZSRLRIZFHKVNQA-NSHDSACASA-N	315.377	1.129	50	20	DDGD	
CC(C)N1C(=O)C(=NNC(=O)c2cnn(C)c2)c2ccccc21	735415419	UPQIIBAJMMAGCE-UHFFFAOYSA-N	311.345	1.309	50	20	DDGD	
COc1cc(C)ccc1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	831347218	RDEYIYVYYUCKAO-WDEREUQCSA-N	307.350	1.581	50	20	DDGD	
CSc1ccc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1	730575864	JEJHCEOPOWMVIL-LLVKDONJSA-N	312.416	1.293	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1CNC(=O)NNc1ncc(F)cc1F	838535715	INQFTPOFYOTIKY-LDYMZIIASA-N	300.309	1.801	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)CCl)c2ccccc2N(C)C1=O	830691222	SVGOXFAZSSBUDD-VIFPVBQESA-N	302.783	1.632	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@H](C)CC(F)(F)F)n1	840434337	VUIXIOBRLCMYGF-ZETCQYMHSA-N	307.276	1.700	50	20	DDGD	
Cc1cc(C)n(-c2ccc(C(=O)NN(C)C[C@H](C)O)cc2)n1	910184212	XHLWDDTXUHCQSS-ZDUSSCGKSA-N	302.378	1.447	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C1CCC(CS(C)(=O)=O)CC1	842548967	FOOJRDUCPZDIOD-BJEKPXQXSA-N	316.423	1.118	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1[C@H]2CCCO[C@@H]2C1(C)C	743434713	YIUZVWPABPMBFA-KCJUWKMLSA-N	308.407	1.955	50	20	DDGD	
O=C(O)c1ccc(O)c(C=NNC(=O)c2ccccc2F)c1	740155804	USXYQFHNKOZWLH-UHFFFAOYSA-N	302.261	1.993	50	20	DDGD	
CCN(C(C)=O)c1nc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)cs1	842559051	TTYJSTUYDCNHFS-BXKDBHETSA-N	324.406	1.391	50	20	DDGD	
CC(C)(C)OC(=O)c1ccc(C(=O)NNc2ccncn2)cn1	846236816	VZRSVRNIGRFUCO-UHFFFAOYSA-N	315.333	1.584	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@H](C[C@H]1CCCO1)C(F)(F)F	845927209	MHJSMEVOCWGXCW-MNOVXSKESA-N	303.284	1.694	50	20	DDGD	
Cc1ccc(NNC(=O)NCCCC(=O)OC(C)(C)C)nn1	745931957	SKZILBISRQPGIY-UHFFFAOYSA-N	309.370	1.533	50	20	DDGD	
COC/C(C)=C\C(=O)NNC(=O)c1cc(Br)c[nH]1	845110042	WBXIQNNTXHVLRX-CLTKARDFSA-N	316.155	1.131	50	20	DDGD	
CCn1cc(C(=O)NNc2ccc(CC(=O)OC)cc2)cn1	846373960	HUGDIRISPSIUPX-UHFFFAOYSA-N	302.334	1.375	50	20	DDGD	
CC/C=C\CNC(=O)NNc1ncc(Br)cn1	847378001	BUIMELQSIPEGCY-ARJAWSKDSA-N	300.160	1.831	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1ccc2c(c1)OCO2	747439862	COZOTUNMLSTNIO-UHFFFAOYSA-N	314.301	1.206	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCCc1ccc2c(c1)OCCCO2	910183256	LTELLUBSMZNHTL-CYBMUJFWSA-N	322.405	1.514	50	20	DDGD	
CCCNC(=O)NN=Cc1cc(C)c(OCC(=O)OC)c(C)c1	746494337	NLCDYHVWUNYKQL-UHFFFAOYSA-N	321.377	1.898	50	20	DDGD	
O=C(NNc1cccnn1)C1CCN([C@@H]2CCSC2)CC1	847715943	MFDIBWFQQDEOHR-GFCCVEGCSA-N	307.423	1.137	50	20	DDGD	
N#CCCSCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	840213964	SAHVGRKDCHLNOW-UHFFFAOYSA-N	308.319	1.003	50	20	DDGD	
O=C1[C@@H](NS(=O)(=O)CCCCCl)C[C@H]2CCCCN12	841532623	VIYCQZBLUGHJCS-MNOVXSKESA-N	308.831	1.078	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc2c1CCCC2	843661922	QZZVZKCNEXBWCI-AAEUAGOBSA-N	302.374	1.751	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccnc(N2CCCCC2)n1	740081899	HWDVLVRLPXHSDQ-UHFFFAOYSA-N	319.409	1.664	50	20	DDGD	
O=C(NC[C@@H]1CCCCN1)NNc1ccc2c(=O)[nH]ccc2c1	841920407	FHXAGMQHGYLUKH-ZDUSSCGKSA-N	315.377	1.296	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCO[C@@H](c2ccccc2C)C1	741801433	HIPPLELFGVHXFA-DZGCQCFKSA-N	319.405	1.314	50	20	DDGD	
CCC/C(C)=C\C(=O)NNC(=O)c1ccc2c(c1)OCCO2	920220192	PLAQRDULOCSRBU-LUAWRHEFSA-N	304.346	1.965	50	20	DDGD	
Cc1ccc([C@H](O)CNC(=O)NNC(=O)c2ccccc2)o1	741270129	PVVWVGDKSAYBAU-GFCCVEGCSA-N	303.318	1.266	50	20	DDGD	
C[C@H](Cc1ccncc1)NC(=O)NNc1cncc(Cl)n1	749617793	AXACBSFKHAQAHM-SECBINFHSA-N	306.757	1.782	50	20	DDGD	
CCOC(=O)N1CSC[C@H]1C(=O)NNc1ccc(F)cc1	929772850	ORLYGDXXIMCTMD-NSHDSACASA-N	313.354	1.800	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	920499316	QRJARLFJFQBTOI-UHFFFAOYSA-N	317.305	1.198	50	20	DDGD	
C[C@H](C(=O)NNc1cccc([N+](=O)[O-])c1)[C@@H](C)S(C)(=O)=O	841409911	XSFOTDAROZSKBW-DTWKUNHWSA-N	315.351	1.107	50	20	DDGD	
CN(CC(=O)NNc1ccc(F)c([N+](=O)[O-])c1)C(=O)C1CC1	842247069	KDTPFYLTSDXZOS-UHFFFAOYSA-N	310.285	1.045	50	20	DDGD	
C[C@@]1(CNCc2cnc3n2CCOC3)C[C@@H]1Br	922273571	WZUQIODQKUTQKW-JQWIXIFHSA-N	300.200	1.676	50	20	DDGD	
COC(=O)N1CCC(C(=O)NNc2ncccc2Cl)CC1	857127502	SVOGYVXVRKXJQF-UHFFFAOYSA-N	312.757	1.657	50	20	DDGD	
C[C@H]1Cc2ccccc2C1=NNC(=O)[C@H]1CCS(=O)(=O)C1	751134674	NZFFPMRPVWQNJX-JQWIXIFHSA-N	306.387	1.134	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)[C@@]12CCC[C@@H]1C2	929607459	NNMBVJTWONXMCQ-QMTHXVAHSA-N	309.460	1.976	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1ccc2nc(O)[nH]c2c1	920830503	YUKDCNGNTYHRQS-UHFFFAOYSA-N	305.338	1.328	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2F)C1(C)C	753430596	PGKPEJLNMKOCLT-RYUDHWBXSA-N	309.341	1.583	50	20	DDGD	
COc1cc(CCC(=O)NC[C@@]2(C)C[C@H]2Br)on1	857389695	QCJBJURNVNCZBX-BXKDBHETSA-N	317.183	1.906	50	20	DDGD	
CC[C@@H](CNC(=O)NNc1ccc([N+](=O)[O-])cc1F)OC	854082835	SSIZPQAUZKTPDR-VIFPVBQESA-N	300.290	1.785	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1ccc([N+](=O)[O-])cc1F)C1CC1	854093166	XUZLZESKRHHIBT-LBPRGKRZSA-N	312.301	1.785	50	20	DDGD	
CN1CCC(ONC(=O)/C(C#N)=C/c2ccc(O)cc2)CC1	854358036	PVUWOGDGNVVUJE-JLHYYAGUSA-N	301.346	1.441	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)C(C)(C)C)[C@H]1C[C@H]2CC[C@H]1O2	853407992	JVQVWUICEDROQW-MGPQQGTHSA-N	323.437	1.989	50	20	DDGD	
CCCn1nccc1C(=O)NNc1cccc(C(=O)OC)c1F	854884726	NRMMRDRSJXDAJM-UHFFFAOYSA-N	320.324	1.976	50	20	DDGD	
COC[C@H]1CCCN1C(=O)NNC(=O)c1cccc(C#N)c1	752007926	YLXIBQGKOVLGTC-CYBMUJFWSA-N	302.334	1.023	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@]1(C)COc2ccccc2O1	858111061	RQWRUEZHZSXOCI-HNNXBMFYSA-N	308.334	1.772	50	20	DDGD	
N#CC1(C(=O)NNC(=O)c2cccc(Cl)n2)CCCCC1	857325918	MIUYMAKYZRWXNF-UHFFFAOYSA-N	306.753	1.970	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(Cl)cc1OCC	757675500	KPIFDJAZOLYPDE-UHFFFAOYSA-N	315.757	1.928	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(C2CC2)[C@H](C)C#N)c1	852482054	SFCBMHPPFAQDPE-GFCCVEGCSA-N	300.362	1.133	50	20	DDGD	
CC[C@](C)(O)C(=O)NNC(=O)c1ccc(Br)s1	929337593	IDSLZHKJUJEYBC-JTQLQIEISA-N	321.196	1.433	50	20	DDGD	
O=C(NNC(=O)c1cc[nH]n1)Nc1ccccc1N1CCCC1	854215887	QUGNTZAFHMHXOB-UHFFFAOYSA-N	314.349	1.476	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CCCS2(=O)=O)ccc1Cl	928338534	JVNMXUCKLUJIPW-NSHDSACASA-N	302.783	1.669	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cccc(N2CCC(C)CC2)c1	756672984	XMXOIFYVRXPGGH-UHFFFAOYSA-N	320.393	1.722	50	20	DDGD	
Cc1ccc(NNC(=O)CCN2C(=O)CCNC2=S)cc1F	856225208	CLEUAMSJCHOAHJ-UHFFFAOYSA-N	324.381	1.074	50	20	DDGD	
CO[C@@H]1C[C@H](NC(=O)NNc2ncc(Cl)cn2)C12CCC2	856915592	PYHSGQXSOCLPNY-VHSXEESVSA-N	311.773	1.714	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(C(C)=O)cn2C)nc1	759726512	YWNDIWUEJPRWGQ-UHFFFAOYSA-N	316.317	1.166	50	20	DDGD	
COCCCNC(=O)NN=C1CN(Cc2ccccc2)C[C@H]1C	751525003	CGIKRNYTDFYYJZ-CQSZACIVSA-N	318.421	1.830	50	20	DDGD	
C[C@@H](OC(=O)/C(C#N)=C/c1ccc(O)cc1)C(=O)NC1CC1	750665523	BUQSSLPPWAHJTD-ZDIKFAODSA-N	300.314	1.509	50	20	DDGD	
Cc1ccc(F)c(OCC(=O)NNC(=O)OCC(F)(F)F)c1	856022218	UXGXMABBMPCGHW-UHFFFAOYSA-N	324.230	1.833	50	20	DDGD	
CCN1C[C@H](C(=O)NNc2cccc(C(=O)OC)c2C)CC1=O	855628270	SVPYHHZQHVQHBK-LLVKDONJSA-N	319.361	1.093	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cccc(OC(C)C)n2)n1	755180055	OBNRHHXDGNYNFS-UHFFFAOYSA-N	317.349	1.733	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cccc(Cl)c1F	759666985	RIDKPQPLVYKECZ-VIFPVBQESA-N	302.733	1.981	50	20	DDGD	
Cc1noc([C@@H]2CCCN(C(=O)NNC(=O)C3CCCC3)C2)n1	753338859	GLMNCRLXZUVDEA-GFCCVEGCSA-N	321.381	1.488	50	20	DDGD	
Cc1ccccc1[C@H](C)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	936039185	JWZANXSSXYOGBE-UONOGXRCSA-N	324.446	1.591	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC[C@@H](OCCO)C1	866843668	RLPFMAVKVQQJPD-LLVKDONJSA-N	313.847	1.055	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@H]2CCC(=O)[C@H](C)C2)n1	764655967	PWRMHNVVONLJSA-NEPJUHHUSA-N	319.409	1.771	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)c1cnc2[nH]cnc2c1	764261738	ORVFVKZOWOSTGE-UHFFFAOYSA-N	305.301	1.658	50	20	DDGD	
N#Cc1cnc(C(=O)NNC(=O)c2ccccc2)c(Cl)c1	769463643	CEAJBYZPLZFJIR-UHFFFAOYSA-N	300.705	1.681	50	20	DDGD	
COc1ccc(CC(C)=NNC(=O)[C@H]2CCC(=O)N2)cc1OC	863146391	RABACLXMGUWXMV-GFCCVEGCSA-N	319.361	1.017	50	20	DDGD	
CC[C@@](C)(NC(=O)NNC(=O)c1ccccn1)C(F)(F)F	933521385	GSGMLMOZHUDIPK-LLVKDONJSA-N	304.272	1.757	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1ccccc1OCC1CC1	763816844	SIDZLVAXOAZBSI-UHFFFAOYSA-N	319.361	1.217	50	20	DDGD	
CN(C)C1(C(=O)NNC(=O)Cc2ccc3ccccc3c2)CC1	863858841	WBBXXIHPDBBXLH-UHFFFAOYSA-N	311.385	1.624	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cccc(C)c1)C[C@@H]1CCCO1	764215418	LXRFJVRDHAVWAA-HNNXBMFYSA-N	319.405	1.257	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCN2C(=O)CC[C@H]2C1	768370090	SJZNVNZHXBVNAA-ONGXEEELSA-N	317.227	1.629	50	20	DDGD	
CC1(C)C(=O)Nc2ccc(C(=O)NNc3ncc(F)cn3)cc21	760905720	DYIJDHHPDZXMFT-UHFFFAOYSA-N	315.308	1.602	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)NC2CCCC2)c(C2CC2)n1	865038042	HZZUTDCZFSOXGV-UHFFFAOYSA-N	305.382	1.667	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=Cc2cccnc2N)c1	764666773	MWWMNTZOURILAF-UHFFFAOYSA-N	300.318	1.445	50	20	DDGD	
C[C@H]1CC(=NNC(=O)N[C@H]2CCS(=O)(=O)C2)CC[C@H]1C	767370724	MAEIXXXPKOKOAB-SCVCMEIPSA-N	301.412	1.285	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)c2c[nH]nc2C)[C@H](C)C1	761267171	ORYALRDIZSYPKZ-KOLCDFICSA-N	306.366	1.803	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)C1(c2cccnc2)CC1	863101269	OQJWISOTVXALLG-UHFFFAOYSA-N	309.238	1.932	50	20	DDGD	
C[C@H](NNC(=O)c1cc2c(nc1O)CCCC2)C(F)(F)F	862312490	NLUWVXYDSAYPKF-ZETCQYMHSA-N	303.284	1.851	50	20	DDGD	
Cc1ccc2nnc(CNS(=O)(=O)CCCCCl)n2c1	867416896	IUEFSNOFCYNCSV-UHFFFAOYSA-N	316.814	1.476	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccnc(-n2cccn2)c1	768504697	QUZBOTCTOCOLIU-UHFFFAOYSA-N	319.328	1.901	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NN=Cc1cccnc1N	764669227	ZVJAEZNCBNICOW-SNVBAGLBSA-N	302.309	1.721	50	20	DDGD	
CNc1c(C(=O)NNc2cccc(OC)n2)cccc1[N+](=O)[O-]	765660482	CBPMABNIEXLVGZ-UHFFFAOYSA-N	317.305	1.797	50	20	DDGD	
CCO[C@@H]1CCCC1=NNC(=O)Cc1cn2ccccc2n1	766454642	KBEVHXHWFNHDJI-CQSZACIVSA-N	300.362	1.938	50	20	DDGD	
Cc1cccc(NNC(=O)NC[C@H](C)Cn2ccnc2C)n1	875188427	JTXYXTWHDKUWNI-NSHDSACASA-N	302.382	1.857	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(OC)c(OC)cc1OC	878957656	DOLNQESCCBFRAY-UHFFFAOYSA-N	313.354	1.327	50	20	DDGD	
COCCOCC(=O)NN=C1CCCc2cc(OC)ccc21	872403219	JSGFPGFNCYYGNJ-UHFFFAOYSA-N	306.362	1.515	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H](O)c1ccc(C(F)(F)F)cc1	874060321	FSYHJQPBRSEXBQ-SNVBAGLBSA-N	318.295	1.932	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1c(F)cc(F)cc1F	772157814	GMKXUTNTKCJRHA-LURJTMIESA-N	318.251	1.207	50	20	DDGD	
CCOC(=O)Cc1csc(NC(=O)NNc2ccccn2)n1	875387016	YDYOURPKDGSXAE-UHFFFAOYSA-N	321.362	1.792	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@@H]2CC(=O)N(C(C)(C)C)C2)cc[nH]1	875748637	RIUQIBIUMVVIFW-LBPRGKRZSA-N	319.409	1.085	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)COc1ccc(C)cc1C	771861799	NHRJWWRINRDRAN-LBPRGKRZSA-N	322.361	1.171	50	20	DDGD	
CCCN(Cc1ccc(C)cc1)C(=O)NNC(=O)c1cn[nH]c1	1118811395	WUQTXXYDOOEZKX-UHFFFAOYSA-N	315.377	1.985	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)NC1(C(F)(F)F)CCC1	879378681	VQXDSOMOOHLXEA-UHFFFAOYSA-N	302.256	1.511	50	20	DDGD	
O=C(CO[C@H]1CCOC1)NNc1ccc(Br)cc1	1116194551	QTKZLFPRXNBGNO-NSHDSACASA-N	315.167	1.698	50	20	DDGD	
CN=[S@](C)(=O)c1cccc(NC(=O)NNC(=O)C2CCC2)c1	879836195	HFTREZFTTFVUCR-JOCHJYFZSA-N	324.406	1.726	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc(F)c(C(F)(F)F)c1	872401214	KXZIOVAAVYHVQM-UHFFFAOYSA-N	322.258	1.958	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CC2(O)CCCC2)c1	874950884	YAJWNFLAXLHPOJ-UHFFFAOYSA-N	317.414	1.681	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)Cc2n[nH]c(C)n2)c(C)c1	873760603	HTCYCVAMQSSEGS-UHFFFAOYSA-N	318.406	1.290	50	20	DDGD	
COC(=O)CNC(=O)NN=C(Cc1ccccc1OC)C(C)C	779822374	DHFIWIQIXAGUDN-UHFFFAOYSA-N	321.377	1.722	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H](C)NC(=O)C1CCCC1	772844527	MKBRMFFKYULBNZ-NSHDSACASA-N	319.409	1.738	50	20	DDGD	
N#Cc1ccc(NNC(=O)Nc2ccc3c(c2)C(=O)NCC3)cc1	775624281	IZTQFGIDDWBYHK-UHFFFAOYSA-N	321.340	1.993	50	20	DDGD	
CC(=O)OCCc1cccc(NC(=O)NNc2ncccn2)c1	775722140	NQHMMHUALGALHQ-UHFFFAOYSA-N	315.333	1.731	50	20	DDGD	
NC(=O)NCc1cn([C@@]2(Cl)C[C@@H]2CCBr)nn1	881384022	YPCYFMSVCYMCAE-RCOVLWMOSA-N	322.594	1.143	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1csc(-c2cnn(C)c2)n1	887141649	CGYUZIFCYZLSRQ-UHFFFAOYSA-N	317.374	1.108	50	20	DDGD	
COc1cc(C(=O)OC[C@@]2(C)C[C@H]2Br)nn1C	1123038089	GQBSQENFLVGCIY-LDYMZIIASA-N	303.156	1.759	50	20	DDGD	
O=[S@](CCNS(=O)(=O)CCCCl)Cc1ccccc1	881873955	RQBWGEZXSHJQTD-GOSISDBHSA-N	323.867	1.484	50	20	DDGD	
Cc1cc(NC(=O)NNc2cc(Cl)nc(N)n2)nnc1C	789101596	GSXGVZIWXJDOHI-UHFFFAOYSA-N	308.733	1.268	50	20	DDGD	
C[C@H]1CCCN(C(=O)CCNC(=O)NNC(=O)C(C)(C)C)C1	1122088176	YPNOUUZNJNAMPT-NSHDSACASA-N	312.414	1.012	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2nccc3sccc23)no1	783435657	JZWPQWYVCNNXER-UHFFFAOYSA-N	317.330	1.675	50	20	DDGD	
CCN1CCN(CCC(=O)NNc2ccc(F)c(F)c2)CC1	885112759	CHJYPKHSLNNXRG-UHFFFAOYSA-N	312.364	1.436	50	20	DDGD	
C[C@@H]1[C@@H](CNC(=O)NNC(=O)c2cccnn2)CCC[C@H]1C	883620977	VYXBKKIJFKKRRB-GRYCIOLGSA-N	305.382	1.493	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)COc1ccc(C)c(C)c1	1120577429	ZMQCIMNFPHHHJX-LSDHHAIUSA-N	320.389	1.645	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccccc1[S@@](=O)CC	887140637	MPYLIJZULXOKDX-NRFANRHFSA-N	306.387	1.379	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCC[C@H](CF)C2)cc1	880235234	ZPVDYROOJAFEKY-CYBMUJFWSA-N	307.369	1.438	50	20	DDGD	
COc1cccc(NNC(=O)c2cc(=O)c3ccccc3o2)n1	780770169	IOHRLUDUPPKOFP-UHFFFAOYSA-N	311.297	1.954	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccnn1Cc1ccccn1	782593802	XBGCWIZKQYTCFH-UHFFFAOYSA-N	302.338	1.135	50	20	DDGD	
Cc1ccccc1C(=O)NN[C@@H](Cc1ccc(F)cc1)C(N)=O	784061803	UHDAHOCBDVJSGB-HNNXBMFYSA-N	315.348	1.465	50	20	DDGD	
O=C(NN=C1CC(c2cccc(F)c2)C1)C(=O)N1CCCC1	781591448	GQCPYNNVBJCYOJ-UHFFFAOYSA-N	303.337	1.798	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cnc2ccccc2n1	781819280	BGYRTKSANPXNGO-UHFFFAOYSA-N	300.709	1.830	50	20	DDGD	
O=C(COC(=O)[C@H]1CCCCS1)NNC(=O)c1ccccc1	783233845	JZJMUEQWIGVGFJ-GFCCVEGCSA-N	322.386	1.277	50	20	DDGD	
CC1(C)CCN(CCNC(=O)NNc2ccc(C#N)cn2)C1	898586399	LHQDNFFQPSCBQV-UHFFFAOYSA-N	302.382	1.311	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNc1ccccn1)c1ccnn1C	788114338	OJZDWXYYINJDQV-LBPRGKRZSA-N	302.382	1.881	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)N2CCc3ccc(C)cc32)c1	783931203	KCJMRSIIQVTGPJ-UHFFFAOYSA-N	310.357	1.731	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCOC1CCSCC1	899072743	RVJJTFIHRMXDJS-UHFFFAOYSA-N	303.428	1.275	50	20	DDGD	
CN1CCC[C@H]1c1cc(C(=O)NNc2ncc(Cl)cn2)n[nH]1	899043286	WLPBKWOUTCGRLK-NSHDSACASA-N	321.772	1.377	50	20	DDGD	
COc1cc(F)ccc1NC(=O)C(=O)NNc1ncccc1C	792380697	ZMOZSORPGSMTHI-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)COc1ccc(F)cc1	794613377	PPZIJOSJYDGCJB-UHFFFAOYSA-N	305.309	1.556	50	20	DDGD	
COc1cncc(C(=O)NNC(=O)c2c[nH]c3ccccc23)n1	790139828	QEVRAZYHHCGQFF-UHFFFAOYSA-N	311.301	1.041	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)CCCOCc1ccccc1	799201520	ZKXXUWXLLLSVOA-CQSZACIVSA-N	321.421	1.471	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)C[C@@H]1CCCOC1	792802266	XERUWYLXVHVNHC-NSHDSACASA-N	310.325	1.169	50	20	DDGD	
COc1cc(NNC(=O)[C@H](C)CS(C)(=O)=O)ccc1Cl	790168245	HTXLIUWNZUNRHL-MRVPVSSYSA-N	320.798	1.472	50	20	DDGD	
Cn1nncc1C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	798982247	GVEOYXULUJLMCW-UHFFFAOYSA-N	310.239	1.462	50	20	DDGD	
C[C@H]1C(=O)CC[C@H](C(=O)NNC(=O)NCC(F)(F)F)C1(C)C	798314847	CYQFWMIJZGRRBC-JGVFFNPUSA-N	323.315	1.521	50	20	DDGD	
O=C(CC1OCCO1)NNc1ccc([N+](=O)[O-])cc1Cl	793711114	VITHFFGWVAPWLG-UHFFFAOYSA-N	301.686	1.454	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NNc1ccccc1S(C)(=O)=O	793681232	IJPKAIQISONCKV-QWRGUYRKSA-N	324.402	1.539	50	20	DDGD	
CCc1noc(CCCC(=O)NNc2nc3ccccn3n2)n1	791252210	DXOWRHURQAGFIQ-UHFFFAOYSA-N	315.337	1.141	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](c2cccnc2)C(C)C)n[nH]1	797964282	GWNPIUANMIDLAH-ZDUSSCGKSA-N	301.350	1.314	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2ccc(O)c(O)c2)oc1C	794559004	OEMCOCYMMBIGHP-UHFFFAOYSA-N	318.285	1.550	50	20	DDGD	
COc1ccc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])nn1	790591577	OBWQCIAFWWCVMZ-UHFFFAOYSA-N	307.241	1.289	50	20	DDGD	
CC(C)Cc1ccccc1C(=O)NNC(=O)C(=O)NC(C)C	790215361	PZRNFQKUBUKPHB-UHFFFAOYSA-N	305.378	1.171	50	20	DDGD	
CS(=O)(=O)c1ccccc1-n1cc(NC(=O)CCl)cn1	1320465488	JTYFXKFSXPELHC-UHFFFAOYSA-N	313.766	1.453	50	20	DDGD	
Cc1ccc(C(=O)NCC(=O)NNc2ncccc2C)s1	1320711079	LCGHETBPRPGOLI-UHFFFAOYSA-N	304.375	1.633	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)NCc1ccc(Cl)cc1)n1ccnc1	1324417877	VXPSHAGSDUCQFK-JTQLQIEISA-N	321.768	1.628	50	20	DDGD	
Cc1onc(CO)c1C(=O)NNc1cc(C(F)(F)F)ccn1	1327640624	WHIIARLDBRGOBI-UHFFFAOYSA-N	316.239	1.646	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)c1n[nH]c2c1CCCC2)c1ccco1	1327770527	NELOUSIHKJUXLK-KTKRTIGZSA-N	314.345	1.746	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCc1nc(-c2ccccc2)no1	1332629660	WZVFUUGQAJMGRZ-NSHDSACASA-N	304.350	1.013	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N=S1(=O)CCOCC1	1334089117	JDDCSGMWSJMEEE-UHFFFAOYSA-N	319.814	1.377	50	20	DDGD	
O=C(NC[C@H]1C[C@H]2C=C[C@H]1C2)NNC(=O)c1cccc(F)n1	1263069178	JISFSHSECTXYRK-GARJFASQSA-N	304.325	1.377	50	20	DDGD	
Cn1ccc(NNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)n1	1261383329	JFWHWMGCZPRIKB-UHFFFAOYSA-N	318.337	1.664	50	20	DDGD	
CN(C)C(=O)Cn1cc(NC(=O)C2CCC(Cl)CC2)cn1	1346426813	LBNJKPGEIKNIMG-UHFFFAOYSA-N	312.801	1.707	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)nn1	1342047851	DHDVJKRYSVHXRJ-HBNTYKKESA-N	305.382	1.720	50	20	DDGD	
N#Cc1ccc2c(c1)CCCCC2=NNC(=O)NCC(=O)O	1601115996	YQRJFBUDVWTFID-UHFFFAOYSA-N	300.318	1.373	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)C(=O)c1ccccc1	1608481905	UHVYYMYARHFSBK-UHFFFAOYSA-N	302.261	1.850	50	20	DDGD	
Cn1cc(C(C)(C)C(=O)NNc2cccc(C(=O)O)c2)cn1	1600940319	XZPJIUPWWNMPNE-UHFFFAOYSA-N	302.334	1.539	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H]2C[C@H](C)O[C@@H]2C)cccc1C(=O)O	1600051859	XIKDVRLZLCLDEX-IYYTYJHQSA-N	307.350	1.885	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@H]1CC[C@H](C(=O)O)CC1	1601369072	DMIZPPQXJNLRIR-XYPYZODXSA-N	322.336	1.407	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)C(=O)c1ccc(F)cc1	1601559331	PRSBGEAWRKSBBK-UHFFFAOYSA-N	320.251	1.989	50	20	DDGD	
Cc1c(NNC(=O)[C@H]2CCN(C)[C@@H](C)C2)cccc1C(=O)O	1607552804	UYVAYCJNJOSUAF-JQWIXIFHSA-N	305.378	1.867	50	20	DDGD	
CC(C)(C)[C@@H](C(=O)O)C(=O)NNC(=O)CCc1ccccc1	1602852223	IWNIFBVPTBQDOR-CYBMUJFWSA-N	306.362	1.514	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2Cc3cc(F)ccc3O2)nc1	1602384538	IBDQXNSTONGAPI-LBPRGKRZSA-N	317.276	1.366	50	20	DDGD	
O=C(Cc1cccc(F)c1F)NNc1ncccc1C(=O)O	1605710077	YBNRYULJPBRGSB-UHFFFAOYSA-N	307.256	1.744	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)O)CCSCC1)Nc1ccccc1	1605814559	HJMBBNDJNYQSBA-UHFFFAOYSA-N	323.374	1.437	50	20	DDGD	
O=C(O)[C@H](O)C1CCN(C[C@H](CBr)C2CC2)CC1	1608557384	KESKUCJFNUFVOI-NWDGAFQWSA-N	320.227	1.565	50	20	DDGD	
Cn1cccc(NC(=O)NNc2ccc(C(=O)O)cc2F)c1=O	1608130117	KFZZODMDXLZXDI-UHFFFAOYSA-N	320.280	1.371	50	20	DDGD	
COC[C@@H](C)OC(=O)/C(C#N)=C\c1cccc(-c2nn[nH]n2)c1	1609317880	RKCGVLJLTDIQGQ-QVASGMJFSA-N	313.317	1.352	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)c1cccc(F)c1-c1nn[nH]n1	1603272392	VSWXYJHREJVYKX-UHFFFAOYSA-N	320.328	1.203	50	20	DDGD	
CCNc1ccccc1C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549904559	JZEBPDJLTVGCEW-HOCLYGCPSA-N	316.405	1.432	50	20	DDGD	
CCn1nccc1[C@H]1OCCC[C@@H]1C=NNC(=O)c1cn[nH]c1	1552672106	FGPSITZBHIITQH-RISCZKNCSA-N	316.365	1.510	50	20	DDGD	
C=C(CCC(=O)O)C(=O)NNC(=O)c1nc2ccccc2s1	1588630017	AHMOBGAPSVGFTR-UHFFFAOYSA-N	319.342	1.478	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@@H]1F)C2	1845163336	QJSMVKCWNHPFKS-MXWKQRLJSA-N	302.777	1.565	50	20	DDGD	
O=C(NN=CCCc1ccc(-c2nn[nH]n2)cc1)c1cccnc1	1593155345	IUAMAKDVOJZHEC-UHFFFAOYSA-N	321.344	1.610	50	20	DDGD	
C[C@H](NNC(=O)C12CCC(C(=O)O)(CC1)CC2)C(F)(F)F	1593320274	WTRXJWWZLYCOTF-RKWZHAFESA-N	308.300	1.983	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](C(=O)O)c1ccc(C)c(C)c1	1596862645	NVFRHAWXTPVWLE-RNQWEJQRSA-N	302.330	1.989	50	20	DDGD	
C[C@@H]1CCC[C@@H](CNC(=O)NNc2cccc(C(=O)O)c2)O1	1594345684	FOFCIRLNPLDKDC-MFKMUULPSA-N	307.350	1.969	50	20	DDGD	
CC(=NNC(=O)c1cnsn1)c1cc(C(=O)O)ccc1O	1776105040	MHCRMNHXYXIBNX-UHFFFAOYSA-N	306.303	1.096	50	20	DDGD	
Cc1c(C(=O)O)oc2c1C(=NNC(=O)C1CCOCC1)CCC2	1776102065	GASPMKVGNYLKIT-UHFFFAOYSA-N	320.345	1.869	50	20	DDGD	
CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cl)CC)C[C@@H]21	1786401517	ONVUMPUZECJYLD-CYDGBPFRSA-N	316.829	1.394	50	20	DDGD	
CC(C)[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl	1796804573	LZIDWWICVPHFFH-KZZRWZIVSA-N	320.792	1.176	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]1c1cccc(F)c1F)c1ccncc1	158051954	LLJRICJVETYOMS-RYUDHWBXSA-N	317.295	1.925	50	20	DDGD	
COCC(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1	160127314	JDMPKAMXSAZPKY-UHFFFAOYSA-N	312.269	1.070	50	20	DDGD	
COCCC1(C(=O)NNC(=O)NCCc2cccs2)CC1	160432192	JXXSFXFTDQVMNE-UHFFFAOYSA-N	311.407	1.438	50	20	DDGD	
O=C(NN=C(c1ccccc1)c1ccccc1)[C@@H]1CNCCO1	163489591	MWYIMTMXERKZMJ-INIZCTEOSA-N	309.369	1.544	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2ccc(F)cc2)nc1	163653901	CYSNDCSJTKCUST-UHFFFAOYSA-N	303.293	1.369	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C[C@H](C)c2c(C)n[nH]c2C)[nH]n1	157905835	LIBAQITZWDLJEX-ZETCQYMHSA-N	304.354	1.013	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H]2CCCN(C(C)=O)C2)c1	156939902	JQVGRPHTUQXZIF-NSHDSACASA-N	309.341	1.536	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2c(C)noc2C)c1	8193704	CBMUSQFDIAKOKL-UHFFFAOYSA-N	319.317	1.383	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2ccc(C#N)cc2)s1	29550948	WIDIIRNBIJANOL-UHFFFAOYSA-N	315.354	1.768	50	20	DDGD	
COc1ccc(CCNC(=O)NNc2ccc(C)nn2)cc1F	171558786	WKKRIAGIAFWARI-UHFFFAOYSA-N	319.340	1.802	50	20	DDGD	
CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)c1cccn1C	175779168	BUGMIRCEWLDBMN-HNNXBMFYSA-N	315.373	1.952	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1cccc2nn[nH]c12	119257108	RDVIEBPRZLHLFQ-UHFFFAOYSA-N	305.301	1.658	50	20	DDGD	
CC(=O)Nc1cccc(CNC(=O)NNC(=O)CC(C)(C)C)c1	103179615	QJGYEEOIQFFERB-UHFFFAOYSA-N	320.393	1.912	50	20	DDGD	
Cc1ccnc(NNC(=O)CNC(=O)c2cccc(F)c2)c1	176775941	SFAWODUJPODGFH-UHFFFAOYSA-N	302.309	1.402	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2nccn2C(F)F)n1	170692142	LNOUVGLIVDZQMA-UHFFFAOYSA-N	311.296	1.511	50	20	DDGD	
CC[C@H](OC1CCCC1)C(=O)NNC(=O)NCc1ccco1	112881969	NDYWELMAFBWZRM-ZDUSSCGKSA-N	309.366	1.848	50	20	DDGD	
CC(C)OCCCNC(=O)NNC(=O)c1ccc(C#N)cc1	60995705	OQRBYZSULYPPOA-UHFFFAOYSA-N	304.350	1.317	50	20	DDGD	
CCN1CCCC[C@@H]1CNC(=O)NNc1nc(C)cc(OC)n1	175496834	KXOIVINQMYFXCI-GFCCVEGCSA-N	322.413	1.294	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(CCO)C1CCCCC1	111303768	MLFMITUMPWOZQQ-CYBMUJFWSA-N	313.442	1.195	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1[nH]c(CC)c(C(=O)OC)c1C	64884655	ZBUFPCQQDHURFF-UHFFFAOYSA-N	324.381	1.416	50	20	DDGD	
O=C(CN1CC[C@H](Cc2ccccc2)C1)NNC(=O)C1CC1	124082413	QJNCXHULONIPBH-CQSZACIVSA-N	301.390	1.108	50	20	DDGD	
CN(C)C(=O)N1CCN(C(=O)c2cccc(CCl)c2)CC1	37833046	DWQCTRYEUSRJIV-UHFFFAOYSA-N	309.797	1.865	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)/C=C/c2ccco2)c1	182152000	PXGZQXJWJPHZOC-BQYQJAHWSA-N	306.343	1.840	50	20	DDGD	
CCC[C@H]1C[C@H](C(=O)NNC(=O)Cn2nc(C)cc2C)CCO1	183446910	MKUWKHFBRQNCIS-KGLIPLIRSA-N	322.409	1.243	50	20	DDGD	
COc1ccc(C(=O)NNc2ccccc2)cc1-n1cnnn1	120925425	KTQXHCPQXKRWQA-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
C[C@@H]1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)C[C@@H]1C	122516271	YPAOIMCKSIOIGJ-OLZOCXBDSA-N	314.389	1.297	50	20	DDGD	
CCN1C[C@@H](C(=O)NNc2cccc3c2CCCC3)CC1=O	120212117	FJXRNYREAMANIC-ZDUSSCGKSA-N	301.390	1.877	50	20	DDGD	
COCCC1(CNC(=O)NNc2nc(C)cc(C)n2)CCC1	124375577	RZKXNHYMANYQDL-UHFFFAOYSA-N	307.398	1.926	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CC[C@H]2CCCO2)cc1	76949519	GZWGFPNUASXIBL-CQSZACIVSA-N	305.378	1.514	50	20	DDGD	
Cc1ccc(CNC(=O)NNc2ccc(-n3cccn3)nn2)cc1	43049910	DYFNMHJTYOLBBE-UHFFFAOYSA-N	323.360	1.797	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCc1ccoc1	47089000	BAJCHNNUACYWJF-SNVBAGLBSA-N	321.308	1.717	50	20	DDGD	
C=C[C@](C)(CC)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1	134939672	XCAASXWXAVXHGZ-OAHLLOKOSA-N	324.402	1.453	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)c1cnc(O)c([N+](=O)[O-])c1	193866453	WAVSSYWOVATARQ-UHFFFAOYSA-N	309.669	1.501	50	20	DDGD	
COCCOc1ccc(CC(=O)NNc2ccncc2)cc1	192205054	NVTWJONMPKHVDH-UHFFFAOYSA-N	301.346	1.793	50	20	DDGD	
Cc1noc(C)c1CCC(=O)NNC(=S)N[C@@H](C)C1CC1	83676671	LMEDGHBSSSLPCG-QMMMGPOBSA-N	310.423	1.518	50	20	DDGD	
CCNC(=O)c1ccc(NC(=O)NNc2cnccn2)c(C)c1	92430521	OROFOKCEYCBBKG-UHFFFAOYSA-N	314.349	1.683	50	20	DDGD	
N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)NNc1nc(-c2ccccc2)no1	237843819	LGYXGXDRRXJWPI-ZDEQEGDKSA-N	313.361	1.553	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	269487839	NKGBZZGGCLRFJU-LBPRGKRZSA-N	323.418	1.531	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C1(C#N)CCCC1	266799291	RKNMKGMHRUHLFE-UHFFFAOYSA-N	317.345	1.305	50	20	DDGD	
O=C(NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)c1c[nH]c2ccccc12	368072898	QAVQVAZCFTWTDT-ZIBATOQPSA-N	313.357	1.744	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1cc2c(cn1)OCCC2	363678677	UJFJDBWIFIZYND-UHFFFAOYSA-N	305.725	1.607	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@@H]1CCO[C@@H](C)C1	271585753	ZAUDNZVMLNWERF-NWDGAFQWSA-N	321.377	1.454	50	20	DDGD	
CN(C)CCN(c1ccccc1)S(=O)(=O)CBr	271415948	QFKTZRDGXQJTEM-UHFFFAOYSA-N	321.240	1.737	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc(SC(C)(C)C)cc1	274019253	DTLFLHJYEJFPRR-UHFFFAOYSA-N	309.391	1.683	50	20	DDGD	
COCCC1(C(=O)NNc2ccc(-n3ccnc3)nn2)CCC1	278563738	HSWPNTGYONMZBV-UHFFFAOYSA-N	316.365	1.312	50	20	DDGD	
COC(=O)c1ccc(S(=O)(=O)N2CC=C(C#N)CC2)cc1C	273574314	FQTZVIGSEAYAAS-UHFFFAOYSA-N	320.370	1.626	50	20	DDGD	
COC(=O)NNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-]	274171279	BECCPWYURDUNMX-UHFFFAOYSA-N	315.307	1.326	50	20	DDGD	
C[C@H]1CC(=O)NCCN1C(=O)[C@@H](Br)C(C)(C)C	372108792	OKCNNRPPXHDKAT-WCBMZHEXSA-N	305.216	1.533	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C	274577409	YMSRMZAENOUQJE-JTQLQIEISA-N	311.382	1.097	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@H]1CCCOCC1	271900584	JXYLSCJFRGNDAP-ZDUSSCGKSA-N	321.377	1.137	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)c2cccc3ncccc23)CCO1	272070699	LJZWXTRWFDCZBT-VXGBXAGGSA-N	313.357	1.811	50	20	DDGD	
Cc1cnn([C@@H]2CCN(CCI)C2)c1	289931722	PBETWIBUMIFFQK-SNVBAGLBSA-N	305.163	1.873	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2nccnc2C2CCC2)cc1	286892138	GIHCPWMJIXDYRF-UHFFFAOYSA-N	311.345	1.600	50	20	DDGD	
CCOC(=O)C(C)(C)c1csc(NC(=O)NNC(C)=O)n1	287771476	XZFNPBGMVBONES-UHFFFAOYSA-N	314.367	1.156	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H](C)c2ccc3c(c2)OCO3)O1	294123251	FUGLDSJXVNIMTE-CWSCBRNRSA-N	320.345	1.234	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNC(=O)Cn1ccc2ccccc21	806795580	FEXAQQGHWPCNOQ-UHFFFAOYSA-N	324.340	1.010	50	20	DDGD	
O=C(NNc1ncccc1F)C(=O)Nc1nc(C2CC2)cs1	807301414	IJYTVGQSHUISMB-UHFFFAOYSA-N	321.337	1.636	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)[C@@H]1CCCO1)c1ccc(Cl)s1	292175477	PYYMPELGIDDMJB-SFYZADRCSA-N	302.783	1.831	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2cccc(F)n2)cc1	804768230	TZZIROPDIBJCCK-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
CN(NC(=O)c1c[nH]nc1-c1cnn(C)c1)C(=O)OC(C)(C)C	297244734	NGTPUPPLVBUNNI-UHFFFAOYSA-N	320.353	1.322	50	20	DDGD	
CN(NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1ccccc1	299514325	HEYMXFVDLJUYHZ-CQSZACIVSA-N	301.390	1.803	50	20	DDGD	
COCc1ncc(C(=O)NNc2cccc([N+](=O)[O-])c2)s1	802823669	ZJMVTJAZWCUMAV-UHFFFAOYSA-N	308.319	1.955	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cn(CCc2ccccc2)nn1	294239207	BRZJPIBUYLHNIG-UHFFFAOYSA-N	315.377	1.328	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCSCc1ccccn1	299148942	QECBQTLXRNWBAO-UHFFFAOYSA-N	318.402	1.505	50	20	DDGD	
CCOC(=O)c1ccc(CNC(=O)NNC(=O)CC(C)C)cc1	299163192	GQPYIRIQQWYMOO-UHFFFAOYSA-N	321.377	1.740	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccnc(C(F)(F)F)c1	809795117	MCTISYUPQBMEKQ-UHFFFAOYSA-N	322.250	1.900	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](C)C(F)(F)F	807368890	MWEFGRXNAHRHQV-SSDOTTSWSA-N	300.277	1.121	50	20	DDGD	
CN1CCC(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)CC1	802123960	XGOZAXOBIKKEAI-UHFFFAOYSA-N	319.409	1.247	50	20	DDGD	
CCOC(=O)c1cc(C(=O)NNc2nc(C)cc(C)n2)[nH]c1C	294525413	RPETYFDLBUOUFF-UHFFFAOYSA-N	317.349	1.664	50	20	DDGD	
COCC1(C(=O)NNc2cnc3ccccc3n2)CCOCC1	290492509	RVVSAOZMZUCFPP-UHFFFAOYSA-N	316.361	1.516	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1ccc2c(c1)C(=O)OC2	808891108	QESZTHXWYKLIGE-UHFFFAOYSA-N	312.285	1.219	50	20	DDGD	
O=C(NNC(=O)c1cn(-c2ccccc2)nn1)Nc1ccccc1	801985717	FEADRYDRAMYLLQ-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)N(C)C)ccc1OC(C)C	299442098	PGXWBPQSGXPNFG-UHFFFAOYSA-N	315.395	1.247	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)[C@@H]2C[C@H](C)CC(=O)N2)c1	293901656	KFXRXHBJFGNIHY-ZANVPECISA-N	304.350	1.003	50	20	DDGD	
Cc1noc(C)c1C(C)(C)C(=O)NNC(=O)N=c1cc[nH]cc1	802033019	YFBZSIFGAWIHOK-UHFFFAOYSA-N	317.349	1.239	50	20	DDGD	
COCCN(C)NC(=O)CCCc1ccc(OC)cc1OC	297247465	ZVZIZKTYZHUYPA-UHFFFAOYSA-N	310.394	1.636	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@H]1CC[C@@H](CO)O1	294131036	ZQKZBORXWNVURR-NEPJUHHUSA-N	315.801	1.008	50	20	DDGD	
Cc1cc(C)n(-c2ccc(C(=O)NNc3nc[nH]n3)cc2F)n1	816633349	YXGDSDZMGLVKRD-UHFFFAOYSA-N	315.312	1.503	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2cc(Cl)nc(Cl)c2)CC1=O	819740870	ACGIAQDIMGHWJG-SSDOTTSWSA-N	317.176	1.700	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CCOC2(C)C)cc1C	814769195	WGRANSJOXBEKMM-UHFFFAOYSA-N	303.362	1.913	50	20	DDGD	
COCc1cc(C=NNC(=O)Nc2ccc(OC)cc2)no1	814997846	INSCAIQDHVUZOP-UHFFFAOYSA-N	304.306	1.985	50	20	DDGD	
CC(C)c1nn(C)c(Cl)c1C(=O)NNc1ncncc1F	817082490	XIKOUKWBWPSOFA-UHFFFAOYSA-N	312.736	1.883	50	20	DDGD	
Cc1nnc(-c2cccc(C(=O)NNC(=O)CC3CC3)c2)o1	819140203	DGMQSMXPNRTKHC-UHFFFAOYSA-N	300.318	1.606	50	20	DDGD	
CCOc1ncccc1CNC(=O)NNc1ncncc1F	814276364	WIIVAPKCBMGUCP-UHFFFAOYSA-N	306.301	1.236	50	20	DDGD	
CC(=NNC(=O)N=c1cc[nH]cc1)c1ccc([S@](C)=O)cc1	815003460	VYXHRQYTGWSGKC-QFIPXVFZSA-N	316.386	1.787	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNc1nc(-c2ccncc2)no1	812493266	CLEYKZRFLBWQGM-ZJUUUORDSA-N	305.338	1.493	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2cncnc2)cc1C	812719293	IWVJOLFEKCFTEK-UHFFFAOYSA-N	300.318	1.719	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)[C@@]1(C)CC1(F)F	817745325	BSNQWTXHLFSJHF-GFCCVEGCSA-N	321.324	1.094	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccc(N2CCCC2)nc1	727102205	JVECYMGOJXLRAV-UHFFFAOYSA-N	302.378	1.633	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H]1O[C@H](C)C[C@H]1C	822731843	PHBQADFAOZIJFY-JRKPZEMJSA-N	310.325	1.869	50	20	DDGD	
O=C(Cc1ccc(O)cc1)NNc1cccc(-c2nn[nH]n2)c1	826423116	ZDBYFDBFQBUPFH-UHFFFAOYSA-N	310.317	1.258	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(C)n(-c2ccccn2)c1C	823846265	GXWMNWAKVFIPEA-UHFFFAOYSA-N	302.378	1.448	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCc1ccc(C(N)=O)o1	490912571	XNCLBDPEHZMHKT-XFFZJAGNSA-N	311.297	1.307	50	20	DDGD	
COc1cccc(C[C@H](C)CC(=O)NNC(=O)c2cn[nH]c2)c1	827020828	GQWUTMWWUIBYMI-NSHDSACASA-N	316.361	1.448	50	20	DDGD	
CC[C@@H](O)CCNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	490726458	RGADRMWPIWHOPO-LPYTZGJOSA-N	300.362	1.389	50	20	DDGD	
O=S(=O)(CCl)N1CCc2c(cnn2-c2ccccc2)C1	829994152	RTWSVUMOUGFYAI-UHFFFAOYSA-N	311.794	1.757	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]32)n1	820523819	SKPDVCXLFNFLJR-UPJWGTAASA-N	317.393	1.231	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCN(c3ccccc3)C2)n[nH]1	827018188	DNIAQNGKKICJQZ-LBPRGKRZSA-N	313.361	1.006	50	20	DDGD	
COCC(C)(C)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	826147553	BFVYKZQCKBGUJH-UHFFFAOYSA-N	323.357	1.094	50	20	DDGD	
COc1cccc(NNC(=O)NCc2ccc(C(=O)O)cc2)n1	820871296	WDAPZVFCLHTUIL-UHFFFAOYSA-N	316.317	1.615	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@@H]1C[C@H]1C1CCCCC1	826866612	BKKKUPDHHABTNQ-BEAPCOKYSA-N	323.437	1.958	50	20	DDGD	
CC(C)n1cc([C@H](C)NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cn1	825989346	BONJNCLMJHZHEI-DMDPSCGWSA-N	323.397	1.280	50	20	DDGD	
O=C(c1ccc(SC(F)(F)F)o1)N1CC[C@@H](B(O)O)C1	585065995	HRSWOBFYLSNZLU-ZCFIWIBFSA-N	309.074	1.580	50	20	DDGD	
C[C@H](NNC(=O)c1ncc(Br)cn1)C(F)(F)F	826940165	ABKGTHUMYKZNPM-BYPYZUCNSA-N	313.077	1.424	50	20	DDGD	
Cc1ccccc1CN(C)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	827314570	GINDDKLXHWOYEI-GXTWGEPZSA-N	305.378	1.593	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNC(=O)c2ccccc2)cc1O	492533008	LBGHLNHPBZTNIE-NTMALXAHSA-N	312.325	1.875	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1cc([N+](=O)[O-])ccc1O	728784841	VLBLAHRQBZRONS-UHFFFAOYSA-N	300.274	1.388	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NC[C@@H]1CCC[C@@H](O)C1	491163949	YWTXVLQNBNGSMR-DPXMASKKSA-N	300.358	1.966	50	20	DDGD	
C#CCO[C@H](C)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	822201410	FMMLAOOOBRSEST-GFCCVEGCSA-N	302.374	1.783	50	20	DDGD	
CC(C)CO[C@H](C)C(=O)NNc1cccc(-c2nn[nH]n2)c1	824266751	PRYSORBAPIIOMH-SNVBAGLBSA-N	304.354	1.371	50	20	DDGD	
Cc1cccc2c1O[C@@H](C(=O)NNC(=O)NC1CCCC1)C2	825477154	NHRADXNIIPXNGI-CYBMUJFWSA-N	303.362	1.572	50	20	DDGD	
CC(C)c1nn(-c2ccccc2)cc1C(=O)NN(C)[C@@H](C)CO	823913139	OXWJSJPVFHAMAR-ZDUSSCGKSA-N	316.405	1.953	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F	496489382	WSPZWXRXIDLPQU-UHFFFAOYSA-N	324.095	1.458	50	20	DDGD	
CC1(C)C[C@@H](NC(=O)c2cccc(B(O)O)c2)c2ccccc21	584966404	YZHKEGUSLTXYPV-MRXNPFEDSA-N	309.174	1.519	50	20	DDGD	
CC(C)CCC(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1F	820069304	ZOZUVLKQFYJWDA-UHFFFAOYSA-N	304.329	1.892	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1cccc2ccncc12	901838397	ZHSFSPZKXHDUIF-UHFFFAOYSA-N	307.375	1.590	50	20	DDGD	
COCCC1(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCC1	826155655	XOQPVHIJXGPLJE-UHFFFAOYSA-N	316.365	1.517	50	20	DDGD	
O=C(c1cc(-c2ccccc2Cl)on1)N1CC[C@H](B(O)O)C1	585069892	TUFHSFFFCDTUHE-VIFPVBQESA-N	320.541	1.684	50	20	DDGD	
CC(C)Cn1[nH]c(CC(=O)NNc2ccc(Cl)cn2)cc1=O	825661972	UGNMZMFGLVSDCI-UHFFFAOYSA-N	323.784	1.567	50	20	DDGD	
Cc1sc(NC(=O)NNC(=O)c2cnccn2)nc1C(C)C	824280135	JMMHUUPQZQTKLD-UHFFFAOYSA-N	320.378	1.831	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C1C(=O)Nc2ccc(Cl)cc21	735411810	WSUAADPILMCWFS-UHFFFAOYSA-N	303.709	1.458	50	20	DDGD	
CC(C)(C)C[C@H](NC(=O)c1cccc(B(O)O)c1)C(F)(F)F	584970871	IDMRGKUDDJTIGY-NSHDSACASA-N	317.116	1.463	50	20	DDGD	
COc1cc(CNC(=O)NNc2ccc(C)nn2)ccc1O	730064157	SCBHHKZOEZVEQK-UHFFFAOYSA-N	303.322	1.326	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)cc1)[C@@H](c1ccccc1)N(C)C	585036079	DFUGMEHLIFARGA-KSSFIOAISA-N	312.222	1.147	50	20	DDGD	
CCC(C)(C)[C@H]1CCCN1C(=O)c1cc(B(O)O)ccc1F	584965959	WVFCHAKWTUEFLS-CQSZACIVSA-N	307.174	1.546	50	20	DDGD	
CN(C(=O)OC(C)(C)C)C(C)(C)C=NNC(=O)NCC(=O)O	833684992	ACZFQESZYFTAHU-UHFFFAOYSA-N	316.358	1.002	50	20	DDGD	
C[C@@H](COc1ccccc1F)NCc1ccc(B(O)O)cc1	585019061	AGFGFYZJMKWREM-LBPRGKRZSA-N	303.142	1.063	50	20	DDGD	
O=C(Cc1coc2ccccc12)NNC(=O)[C@H]1CCCCO1	833237083	YGIHMJAFFRRLOB-CQSZACIVSA-N	302.330	1.692	50	20	DDGD	
CC[C@](C)(CNC(=O)NNc1ccc2c(=O)[nH]ccc2c1)OC	838660914	HMNMDKVTLCVEDS-MRXNPFEDSA-N	318.377	1.969	50	20	DDGD	
CCC(=O)N1CCCN(C(=O)[C@]2(C)C[C@@H]2Br)CC1	906351275	PDXQTJZHEBOCHS-GXFFZTMASA-N	317.227	1.631	50	20	DDGD	
C[C@@]1(C(=O)Nc2cccc(-n3cnnn3)c2)C[C@@H]1Br	905548349	UJJHMGFRTRXDEY-CMPLNLGQSA-N	322.166	1.774	50	20	DDGD	
CNc1ccc(C(=O)NNc2ccc(Cl)nn2)cc1[N+](=O)[O-]	735688932	HTPCNDHBNZOIAD-UHFFFAOYSA-N	322.712	1.837	50	20	DDGD	
O=C(N[C@H]1C[C@@]12CCCc1ccccc12)c1ccc(B(O)O)cc1	584965242	OIDVWRAWNBPHRL-PKOBYXMFSA-N	321.185	1.143	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N2C[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)cc1	836264684	JQGFOPZLEMQERA-YHUYYLMFSA-N	324.384	1.891	50	20	DDGD	
C[C@]1(C(=O)NC[C@@H]2CCCN2CCCO)C[C@@H]1Br	908527827	WOQKWEIEOXKRJU-GVXVVHGQSA-N	319.243	1.123	50	20	DDGD	
CC[C@H](O)[C@H](C)C(=O)NNC(=O)c1cccc2ncccc12	900613105	IHJVRHBEDUNHSG-HZMBPMFUSA-N	301.346	1.403	50	20	DDGD	
O=C1CSc2ccc(C(=O)NNc3cnccn3)cc2N1	734245144	KWRQXDAWKRXVME-UHFFFAOYSA-N	301.331	1.278	50	20	DDGD	
C[C@@]12CC3CC(C(=O)NNC(=O)c4ncon4)(C1)C[C@](C)(C3)C2	832826063	QJKWAZHDSXWNIO-LZNCCJSUSA-N	318.377	1.827	50	20	DDGD	
C[C@]1(C(=O)N[C@H](CO)Cc2ccccc2)C[C@H]1Br	907394672	QWCKATMETMJPRH-SCRDCRAPSA-N	312.207	1.880	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc(OCCC(=O)O)cc1	833421750	BKGPUIYBINPONF-UHFFFAOYSA-N	323.349	1.739	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C[C@H](C)c1cnn(C)c1	839675418	XWLQGWXXXGNVGL-NSHDSACASA-N	316.361	1.384	50	20	DDGD	
O=C(C[C@H]1CCC(=O)N1)NNc1ccc(C(F)(F)F)cn1	832395448	KHZLXCVXTJQFMF-MRVPVSSYSA-N	302.256	1.212	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C(C)(C)N1CCCCC1	905341890	DHMCJGUBLFYFSB-UHFFFAOYSA-N	300.472	1.545	50	20	DDGD	
CO[C@H](C1CC1)[C@@H](C)NC(=O)NNc1ncc(F)cc1F	838702687	UNTHFZPBNAQIHS-HQJQHLMTSA-N	300.309	1.799	50	20	DDGD	
O=C(Nc1cc(C2CCCCC2)[nH]n1)c1ccc(B(O)O)cc1	584961482	RXNLOPGLVFOJRZ-UHFFFAOYSA-N	313.166	1.390	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCN(c2ccccc2C)CC1	732196590	CQFLCQKTXXWLDK-AWEZNQCLSA-N	318.421	1.063	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(C(F)(F)F)CCC1	837944353	LHNKMAOZMSFOKB-SSDOTTSWSA-N	310.272	1.208	50	20	DDGD	
CC[C@H](COC)NC(=O)NN=c1sc2ccccc2n1C	738503724	WHEPNJFRBFMJLS-SNVBAGLBSA-N	308.407	1.780	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	733806968	ODTIJBLGTLHPEV-JFGNBEQYSA-N	310.375	1.101	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCc1cc[nH]n1)c1ccccc1	732447978	MELJHCCLHDHSDY-ZDUSSCGKSA-N	301.350	1.434	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@H]2CCCC2(F)F)n1	836602548	IFRGAOINFCNWNP-SECBINFHSA-N	315.324	1.855	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12	838121686	INHDMLIDNVTASL-QNWHQSFQSA-N	310.394	1.548	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C2(C(=O)C3CC3)CC2)ccc1F	837036625	DRYBNWOOILHVHV-UHFFFAOYSA-N	320.320	1.815	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(-c2cccc(Cl)c2)no1	910166159	TXKMHLUMWZGEFQ-VIFPVBQESA-N	309.753	1.952	50	20	DDGD	
O=C(NCCCOc1ccccc1)NNC(=O)C1CCCC1	916218717	BBSPOEMBEZIMHP-UHFFFAOYSA-N	305.378	1.976	50	20	DDGD	
CC/C=C/CNC(=O)NNC(=O)COc1ccc(C)c(C)c1	838657295	DLKFUAHSKUOBOQ-AATRIKPKSA-N	305.378	1.979	50	20	DDGD	
CC(C)c1ccc(NNC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)cc1	838517135	UJJRRYNYXGMLNB-KGLIPLIRSA-N	320.393	1.469	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@@H]1C[C@H]1c1cccc(O)c1	839556156	KPMZNLXNQIPDOC-VHSXEESVSA-N	302.252	1.596	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1)c1ccco1	916370684	DSPDKNGNXJRKQP-AGIUHOORSA-N	307.394	1.865	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1ccc2c(c1)COC2	748253139	LFXNEWONNJONHG-LBPRGKRZSA-N	306.362	1.609	50	20	DDGD	
CC(C)Nc1ncccc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843979882	QQIJXUDJZCETEY-GHMZBOCLSA-N	306.366	1.088	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CC(F)(F)F)cccc1[N+](=O)[O-]	918366074	SPPQDYMJLLHDAU-UHFFFAOYSA-N	305.212	1.617	50	20	DDGD	
CCOC(=O)CC(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	748623351	NCRIHCVAPCBBSB-UHFFFAOYSA-N	315.251	1.973	50	20	DDGD	
COc1cccc2cc(C(C)=NNC(=O)C(=O)NC3CC3)oc12	744827391	GTSFAXKIHJRXAW-UHFFFAOYSA-N	315.329	1.560	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N2CCC[C@@H]3COC[C@@H]32)c1	841577837	HEUHLCPXVWDHQM-KGLIPLIRSA-N	314.345	1.023	50	20	DDGD	
C[C@@]1(C(=O)N2CCN(CCC#N)CC2)C[C@H]1Br	913761326	HIXWAZROEIJJTH-ZYHUDNBSSA-N	300.200	1.218	50	20	DDGD	
CC(C)NC(=O)CN(C)CC(=O)NNc1ccccc1Cl	748331225	CNFXBCGKTWWSLY-UHFFFAOYSA-N	312.801	1.240	50	20	DDGD	
C[C@H](Cc1ccncc1)NC(=O)NNC(=O)c1ccccc1F	749617630	AAEZBWGMFISMDQ-LLVKDONJSA-N	316.336	1.796	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNc2nc[nH]n2)CC1	844142608	GFDYIYQIBHLOCQ-SNVBAGLBSA-N	324.385	1.285	50	20	DDGD	
CC[C@@H](O)[C@@H](C)C(=O)NNc1ncc(Br)cn1	912059913	KNRKCBZJYXNZPS-HTRCEHHLSA-N	303.160	1.089	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1ccc(Br)o1	842557421	DLRDNJFBAKQGQD-CBAPKCEASA-N	301.140	1.917	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)c1cccc(C#N)c1)CC(C)C	841578404	LHACGTIKDJRRHD-AWEZNQCLSA-N	318.377	1.563	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCn1cccn1	914881791	VDQOMMHLZMZOKX-NSHDSACASA-N	320.324	1.027	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccc(N(C)C)nc2)o1	746298738	JEKDBDKCBADGRA-UHFFFAOYSA-N	314.349	1.888	50	20	DDGD	
C[C@H]1CCCCN1[C@@H](C)CNC(=O)NNC(=O)c1ccc[nH]1	916446954	FEULLKFEGMRGSE-RYUDHWBXSA-N	307.398	1.222	50	20	DDGD	
CC(C)Cn1ccc(C(=O)NNC(=S)Nc2ccccn2)n1	913826489	RXANHIYCNUXUDB-UHFFFAOYSA-N	318.406	1.566	50	20	DDGD	
CC(C)COc1cccc(C(=O)NNC(=O)c2ncccn2)c1	841354862	UABPBNOASQGXAK-UHFFFAOYSA-N	314.345	1.586	50	20	DDGD	
CC(C)(C)N1CC[C@H](NC(=O)[C@@]2(C)C[C@@H]2Br)C1=O	911490744	HGZNVFDPZXKAOW-RVBZMBCESA-N	317.227	1.676	50	20	DDGD	
CC[C@H](C)Oc1ccc(C(=O)NNC(=O)c2c[nH]nc2C)cc1	749984543	YENLJDTZNLVGAY-JTQLQIEISA-N	316.361	1.970	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@H](C)Oc1ccccc1C	745887214	MSLSTIMXXDZASI-LBPRGKRZSA-N	309.366	1.129	50	20	DDGD	
CCn1ccnc1CNC(=O)c1c(C)nn(CCCl)c1C	848174678	RUJVQPGUGVCAPC-UHFFFAOYSA-N	309.801	1.885	50	20	DDGD	
C=CCCCCCCCNC(=O)NNC(=O)c1ncccn1	841587129	GTFDHHAGJAZLEE-UHFFFAOYSA-N	305.382	1.947	50	20	DDGD	
COCCOCC(C)=NNC(=O)c1cc(Br)c[nH]1	741163969	RZBPSNRLVLGGPP-UHFFFAOYSA-N	318.171	1.546	50	20	DDGD	
Cn1ncnc1C=NNC(=O)COc1ccc(C(C)(C)C)cc1	842519871	VZUNGQUHEVVNSB-UHFFFAOYSA-N	315.377	1.642	50	20	DDGD	
NC(=O)c1ccc(C=NNC(=O)Cc2c[nH]c3ccccc23)cc1	915953200	IPAHBLZWEHVKSX-UHFFFAOYSA-N	320.352	1.960	50	20	DDGD	
Cc1cnn(CC(=O)NNC(=O)c2ccc(Cl)cc2O)c1	740924089	QBXITZNXXZFIAO-UHFFFAOYSA-N	308.725	1.012	50	20	DDGD	
CN(NC(=O)[C@@H]1CCCN1C(=O)C1CC1)C(=O)OC(C)(C)C	843907200	RFABGHNQGVWCEB-NSHDSACASA-N	311.382	1.286	50	20	DDGD	
COc1cccc(CCC(=O)NNc2ccnc(N(C)C)n2)c1	740104336	IBWIVJAUZGIHCV-UHFFFAOYSA-N	315.377	1.627	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)c1c[nH]c2ccccc12)C(C)C	743639765	ZRARMRMUOIYXLU-CQSZACIVSA-N	318.377	1.783	50	20	DDGD	
CCc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843653858	FXKNTFQHYKIMQU-XABYNWHXSA-N	316.401	1.925	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@@]1(C)C[C@H]1Br	856831205	CVGBRVQOWSZOLF-RDDDGLTNSA-N	306.204	1.536	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCc2c(Cl)cccc21	843658994	GWOCSMIDIIFPJD-OPQQBVKSSA-N	322.792	1.942	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1[N+](=O)[O-]	843646694	LBSGXDSPLCMSSR-ZJUUUORDSA-N	307.306	1.089	50	20	DDGD	
O=C(NCCC1=CCNCC1)NNC(=O)c1ccccc1F	841984955	JOBOXPKXMKBEDM-UHFFFAOYSA-N	306.341	1.080	50	20	DDGD	
O=C(NNc1cc(Cl)nc(Cl)c1)[C@@H]1CCCS1(=O)=O	848232566	HBQSARUGBMESEY-ZETCQYMHSA-N	324.189	1.409	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cc3ccccc3n2C)n1	740107921	QHCQBCZKYFDSPG-UHFFFAOYSA-N	310.361	1.791	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(F)cc1Cl)c1ncn(C)n1	922107249	TVJYTCBPDWBPSD-ZETCQYMHSA-N	312.736	1.995	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)[C@@H]1CCc2nnnn2CC1	846247626	UTZPWZFZIGPIRK-SNVBAGLBSA-N	320.784	1.731	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@@H]1C[C@H](C)O[C@H]1C	840437276	UEXOXFORJFPAFV-AVGNSLFASA-N	305.378	1.753	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NNc1cc(F)ccc1F	921726661	GNNQKKYVGYAVCD-KOLCDFICSA-N	312.320	1.506	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)N[C@H]1CCCC12OCCO2	923813077	QUPJFTWBHZYMIY-LBPRGKRZSA-N	313.304	1.887	50	20	DDGD	
O=C(NCc1ccco1)NN=Cc1cn(-c2ccccc2)nn1	755661071	CEBACNGJMISJPD-UHFFFAOYSA-N	310.317	1.694	50	20	DDGD	
CC(=O)NNC(=O)c1ccccc1C(=O)c1ccc(F)c(F)c1	750989395	OTPIWKPUVGWJHR-UHFFFAOYSA-N	318.279	1.977	50	20	DDGD	
N#CC[C@@H]1CCCN(C(=O)NNC(=O)c2cccc(F)n2)C1	852713685	WZHVJWVUFYFCEB-JTQLQIEISA-N	305.313	1.201	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(NC(C)=O)ccc1Cl	756143839	RVLMUHIKTCRUOL-UHFFFAOYSA-N	314.729	1.098	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)OCC(F)(F)F	856025511	RSFHQSOPLVXZKC-ZETCQYMHSA-N	324.230	1.913	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2CCc3nnnn3CC2)cc1F	854183904	FWQHETSYQSRVNV-SNVBAGLBSA-N	319.344	1.152	50	20	DDGD	
CCCOC(=O)CCNC(=O)NNC(=O)c1cc(C)cs1	858706156	MTVLMNQLUVNXOC-UHFFFAOYSA-N	313.379	1.344	50	20	DDGD	
CCc1ccc(C(C)=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)o1	853388724	MOCBHBPRRUDJPX-DOMZBBRYSA-N	305.378	1.545	50	20	DDGD	
CCNC(=O)CCCC(=O)NC[C@@]1(C)C[C@H]1Br	857398726	AASDHBDWGNUZBA-BXKDBHETSA-N	305.216	1.583	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc3ccccc23)C1	858245880	YEMCTZQHLJYJGV-JOCQHMNTSA-N	313.357	1.961	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)OCC(F)(F)F	856026483	AIGQJHXILQZLBW-UHFFFAOYSA-N	320.267	1.948	50	20	DDGD	
CN(CC1(C)COC1)C(=O)NNC(=O)c1cc2ccccc2o1	858270531	FCFNLQAFPVQZGM-UHFFFAOYSA-N	317.345	1.756	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC[C@H](C(=O)O)C2CCC2)c(C)o1	854239028	SEDHBHUWOKLTAN-LBPRGKRZSA-N	323.349	1.341	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=CCCc1cnoc1	853407500	HBCGVNPTWUIMEN-UHFFFAOYSA-N	308.382	1.652	50	20	DDGD	
C[C@@]1(CNC(=O)N2CCn3cncc3C2)C[C@H]1Br	856957740	HGECJESFPFSPNR-PWSUYJOCSA-N	313.199	1.582	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc2nccnc2c1)C1CC1	855102810	NKACOCBAQOLVEV-VIFPVBQESA-N	315.402	1.537	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(O)c(C)c1	854386711	TZZKGWSAWCVQNE-UHFFFAOYSA-N	310.350	1.251	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2CCCS(=O)(=O)C2)C[C@@H]1Br	857732553	AWQUPWSKFWODKZ-ATZCPNFKSA-N	324.240	1.101	50	20	DDGD	
O=C(NN=C[C@H]1CCc2ccccc21)N[C@H]1CCS(=O)(=O)C1	755664728	PXDFTTPYNIOTSD-OLZOCXBDSA-N	321.402	1.189	50	20	DDGD	
COC1(OC)CC(NS(=O)(=O)c2ccc(CCl)cc2)C1	920070866	QHWTXBYPVLMLOP-UHFFFAOYSA-N	319.810	1.855	50	20	DDGD	
O=C(CC1CCCC1)NCC(=O)NNc1ccc(Cl)cn1	856094060	WMRJSBPYILFPGR-UHFFFAOYSA-N	310.785	1.875	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)OCC(F)(F)F	856026849	OHWUYJYCLIYLLA-UHFFFAOYSA-N	306.240	1.557	50	20	DDGD	
Cn1ncc2c1CCC[C@@H]2NC(=O)NNc1ncc(Cl)cn1	856838393	BXJWUYJLAKNNEY-JTQLQIEISA-N	321.772	1.567	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cc2ccc(OC)cc2)nc1	759724771	GIWAXVFMLBXXSO-UHFFFAOYSA-N	315.329	1.563	50	20	DDGD	
CC[C@@H]1COCC1=NNC(=O)c1csc(N2CCOCC2)n1	853274948	HDYNYWHQROJJSP-SNVBAGLBSA-N	324.406	1.122	50	20	DDGD	
CC(C)Nc1ncccc1C(=O)NNC(=S)N[C@@H](C)C1CC1	855101159	RAFOXLLYMHOPGD-JTQLQIEISA-N	321.450	1.809	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cc(F)cc(Br)c1F	929232455	TUXAWFXVZGYRMJ-UHFFFAOYSA-N	319.105	1.898	50	20	DDGD	
CCOC(=O)c1cnc(C)c(NC(=O)NNC(=O)[C@@H](C)CC)c1	757811349	TZSCTJOASMDCPH-VIFPVBQESA-N	322.365	1.766	50	20	DDGD	
CO[C@H](C)CNC(=O)NNC(=O)c1cccc2ncccc12	852535997	PQEMPMPWZYHFHH-SNVBAGLBSA-N	302.334	1.214	50	20	DDGD	
Cc1nnc([C@@H](C)N[C@H](C)C(=O)NNC(=O)CC(C)C)s1	759886076	KXNZHZNKECNCEA-RKDXNWHRSA-N	313.427	1.079	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](C)[C@@H]2CN(C)CCO2)cc1F	853877032	PLKQANBCGXVVQW-RISCZKNCSA-N	310.373	1.479	50	20	DDGD	
COC(=O)CCC(C)=NNC(=O)C(=O)Nc1ccc(C)cc1	756875639	HVERVUCTKXKLCJ-UHFFFAOYSA-N	305.334	1.379	50	20	DDGD	
CCOC(=O)NC1CCC(=NNC(=O)Cc2cccnc2)CC1	853304006	WJJCDFWDRPLKFG-UHFFFAOYSA-N	318.377	1.785	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1ccc(-c2ncco2)cc1	757800743	CXXHASXQAMFCGU-UHFFFAOYSA-N	324.300	1.598	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)c2ccc(C)o2)c(C)c1	934353779	JGVDTODVRLACLL-UHFFFAOYSA-N	302.330	1.909	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NNc1nnc(C)c(O)n1	768691281	QZRSMUJNESBIAN-GHMZBOCLSA-N	309.370	1.314	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)C2CCCC2)c1Cl	764071566	VDXCGOHVSSBXML-UHFFFAOYSA-N	323.780	1.925	50	20	DDGD	
O=C1N[C@H](C(=O)NNc2cccc(Br)c2)CCO1	860313827	QDPWLVPKVXEPLG-VIFPVBQESA-N	314.139	1.391	50	20	DDGD	
OB(O)c1cccc(CNc2cccc(Oc3cnccn3)c2)c1	864019688	OZHBCNCWCYTLCP-UHFFFAOYSA-N	321.145	1.561	50	20	DDGD	
O=C(NN=C1CC[C@H]1c1ccccc1)N[C@@H]1CCS(=O)(=O)C1	769780831	SNKZVUKAHZFUON-OLZOCXBDSA-N	321.402	1.406	50	20	DDGD	
CC1(C)Cc2cc(NC(=O)NNC(=O)c3cn[nH]c3)ccc2O1	860767303	FUSVSZLKHXZSKH-UHFFFAOYSA-N	315.333	1.590	50	20	DDGD	
Cc1ccc([C@H](C)C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1	863077798	LNJOKNHMQNJBCQ-TZMCWYRMSA-N	308.403	1.635	50	20	DDGD	
O=C(COCC(F)(F)F)NNCC(F)(F)C(F)(F)F	863093168	ARIHVCMSQAQXBY-UHFFFAOYSA-N	304.137	1.384	50	20	DDGD	
CC(C)C1(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)COC1	935697525	OEXGFZODBKWUMU-UHFFFAOYSA-N	320.393	1.896	50	20	DDGD	
CCOc1cc(C(=O)NNCC(F)(F)C(F)(F)F)on1	863102123	VPAQMHBVBXYBEN-UHFFFAOYSA-N	303.187	1.505	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1	765914269	BFESJQNEFWQSEO-ZIAGYGMSSA-N	321.377	1.274	50	20	DDGD	
C[C@@H]1CCN(S(=O)(=O)CC(C)(C)CCl)[C@H](C(N)=O)C1	867133208	XUOSNJGPXMFXHK-ZJUUUORDSA-N	310.847	1.167	50	20	DDGD	
Cn1ncc(C(=O)NNc2nc3ccccc3[nH]2)c1-n1cccc1	768512796	OBARVYRKQMCARC-UHFFFAOYSA-N	321.344	1.844	50	20	DDGD	
N#CCCCOc1cccc(NCc2ccc(B(O)O)cc2)c1	864019646	MGHDXCQTENVOSN-UHFFFAOYSA-N	310.162	1.661	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNc1ccnc(N(C)C)n1	764326761	RSGQTBUKEAGCRJ-VIFPVBQESA-N	317.397	1.519	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1ccc(Br)cc1	866107631	ALXHSBZFQYOAPW-UHFFFAOYSA-N	307.151	1.865	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1cccc(CN2CCCC2=O)c1	764613801	DFNFZITUABUPLV-UHFFFAOYSA-N	316.361	1.372	50	20	DDGD	
COC(=O)c1cc(OC(=O)c2cncnc2)ccc1[N+](=O)[O-]	760579795	IDAKQBHSCJDOGX-UHFFFAOYSA-N	303.230	1.391	50	20	DDGD	
CC(CCc1ccccc1[N+](=O)[O-])=NNC(=O)[C@H]1CCC(=O)N1	863148772	JXBNZRSDERTQHV-GFCCVEGCSA-N	318.333	1.298	50	20	DDGD	
C[C@@H](OC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)C(=O)N(C)C	769981850	LAQPWBFDJCHQPA-KEPMVKOISA-N	318.211	1.960	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12	762630552	OCMJPBQMNMRIEF-FOGDFJRCSA-N	317.480	1.743	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=C1C[C@H](C)N(C)C1	761804427	BEHYFRWTBBTJQH-LBPRGKRZSA-N	313.405	1.795	50	20	DDGD	
COc1ccc2oc(C=NNC(=O)C(=O)NC3CC3)cc2c1	763358575	BJEVZYCVZGTYJC-UHFFFAOYSA-N	301.302	1.170	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@@H]1CCC(F)(F)C1	763709315	USJFCTFEUIDYML-MRVPVSSYSA-N	301.268	1.958	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NC/C=C\C1CC1	1117864838	ZHJNFJYGZGAZJG-OTDNITJGSA-N	321.352	1.890	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)[C@H]1C[C@@]12CCOC2	771561172	LTBMHIYFRMANBT-BXKDBHETSA-N	312.167	1.714	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)C2(O)CCCC2)c1	873755222	GOTPRUVLJBZAHY-UHFFFAOYSA-N	307.419	1.926	50	20	DDGD	
N[C@H]1C[C@@H](CNC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)C1	877242276	MABNKYXBUKMRCO-XPORZQOISA-N	301.228	1.794	50	20	DDGD	
O=C(CCCCN1CCCC1)NNC(=S)Nc1ccccn1	874954788	ADJRASPHKDAJTG-UHFFFAOYSA-N	321.450	1.665	50	20	DDGD	
C=C(CN(C)C)C(=O)NNC(=S)Nc1ccc(C)cc1C	873760551	FTCOAMDLTPPNEE-UHFFFAOYSA-N	306.435	1.739	50	20	DDGD	
CC(C)COc1cccc(OCC(=O)NNC(=O)N(C)C)c1	772792138	SPEBCTPWDPODHV-UHFFFAOYSA-N	309.366	1.403	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1c(O)cccc1F	773391610	HXMBJQYNWSMYTK-UHFFFAOYSA-N	324.333	1.692	50	20	DDGD	
Cc1ncc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)s1	772054364	QRNAYISWZGRHFN-MRVPVSSYSA-N	313.379	1.190	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H](C(C)C)N(C)C)c1	874949797	DXDVDOXEFDIRPR-AWEZNQCLSA-N	318.446	1.572	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1ccn(C(F)F)n1	775728428	UBVHQESHXKITRJ-UHFFFAOYSA-N	312.251	1.421	50	20	DDGD	
CON=CC(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1	773714401	CZJPVVXAUDWQHO-UHFFFAOYSA-N	321.333	1.947	50	20	DDGD	
C[C@H](O)c1ncc(C=NNC(=O)COc2ccc(F)cc2)s1	773019072	PCMJSXWZTKDREF-VIFPVBQESA-N	323.349	1.865	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNC(=O)c1nc2ccccc2s1	874913763	REPKAGMWSVZAGL-JTQLQIEISA-N	307.375	1.872	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccccc1-n1cccc1	779642265	OTYZUTNYCCMHFY-UHFFFAOYSA-N	320.352	1.876	50	20	DDGD	
CN(NC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1)C(N)=O	778418857	SWDJIEVNGYTYMF-UHFFFAOYSA-N	319.361	1.311	50	20	DDGD	
CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NS(=O)(=O)CCCCl)C1	882200295	AKWOZFPGVYIRSQ-YNEHKIRRSA-N	322.858	1.182	50	20	DDGD	
C=CC[C@@H](NC(=O)NNC(=O)C1CCOCC1)c1ccncc1	883420397	KHFCHNLNKITUSL-CQSZACIVSA-N	318.377	1.456	50	20	DDGD	
O=C(NNc1ccc(F)cc1Cl)[C@H]1CN2CCCN1CC2	885137285	RUJGLZZPORXKRG-CYBMUJFWSA-N	312.776	1.312	50	20	DDGD	
CN(C)C(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)CCCCl)C1	881899679	CLBBQVGDIMVAKK-GHMZBOCLSA-N	310.847	1.182	50	20	DDGD	
COCCc1ccccc1NC(=O)NNC(=O)CC(F)(F)F	786204379	FRYWQOQGNDKLCB-UHFFFAOYSA-N	319.283	1.981	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1ccc(N2CCNC2=O)cc1	887272246	KJFAKOBTTDFQIA-QBFSEMIESA-N	314.345	1.276	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)cc1O	882049949	JZDCKHRWPWFEEJ-WDEREUQCSA-N	304.346	1.467	50	20	DDGD	
CC(C)c1[nH]nc(C(=O)NNc2ccnc(F)c2)c1[N+](=O)[O-]	781356039	QHBMZDVXXQXMFO-UHFFFAOYSA-N	308.273	1.732	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2ccc(Cl)nn2)ccn1	787888774	FLKBPCAKNPWGSF-UHFFFAOYSA-N	307.697	1.069	50	20	DDGD	
Cc1nnc([C@H](C)NC(=O)NC[C@@]2(C)C[C@@H]2Br)o1	1123661206	DFMNXKFXFRTQPM-GEOGLEFRSA-N	317.187	1.912	50	20	DDGD	
COc1cc(C)ccc1C(=O)NNC(=S)N[C@H](C)C1CC1	781030419	ZMJLZHYSQWYCBI-SNVBAGLBSA-N	307.419	1.911	50	20	DDGD	
CCn1cc(CC(=O)NNC(=O)c2cccc(Cl)c2)cn1	780171921	URDUTBZGHOLCJC-UHFFFAOYSA-N	306.753	1.560	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNc1nc(C(F)(F)F)cs1	896315093	PHWZDGSNTHFLTH-PHDIDXHHSA-N	323.296	1.804	50	20	DDGD	
COc1cccc(C[C@H](O)C(=O)NNc2ccccc2F)c1	785415745	NKLZTQXEQAPUSS-HNNXBMFYSA-N	304.321	1.881	50	20	DDGD	
CC(C)c1nnc(CCC(=O)NNc2ncncc2Cl)o1	781835730	GYZCBHHUIKAITB-UHFFFAOYSA-N	310.745	1.712	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2C[C@]23C(=O)Nc2ccccc23)ncn1	894965303	GUANBWNITKNXOZ-MEDUHNTESA-N	309.329	1.138	50	20	DDGD	
C[C@@H]1CC[C@@H](NC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1	781019419	FEGPDWRMDVVQNQ-NXEZZACHSA-N	314.386	1.030	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@@H](O)CCc1ccccc1	781825793	PWOWVRPJHBQQBK-LBPRGKRZSA-N	306.753	1.567	50	20	DDGD	
Cc1cc(OCC(=O)NNc2cnccn2)ccc1[N+](=O)[O-]	797753668	SSYBLVQMYBPXDJ-UHFFFAOYSA-N	303.278	1.215	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)[C@@H](OC)C1CC1	792284603	NTPWGWASEUJCNE-AWEZNQCLSA-N	324.402	1.360	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2ccc(OCC#N)cc2)n1	794072701	ONQLZTDLBDGTIF-UHFFFAOYSA-N	324.340	1.296	50	20	DDGD	
Cc1cc(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)co1	795169066	YWLTYXSTYQVDEM-UHFFFAOYSA-N	323.374	1.595	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1cccc(C(F)(F)F)c1)NC1CC1	795588814	WMHNOPFPTQTDIK-SNVBAGLBSA-N	317.267	1.232	50	20	DDGD	
C[C@@H]1[C@@H](CNC(=O)NNC(=O)c2cnn(C)c2)CCC[C@H]1C	796635222	FHHGUIOYQQBCIK-GRYCIOLGSA-N	307.398	1.436	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ncccn2)cc(C)c1Cl	799835562	SCWOKZKHXVTITJ-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
CCN(C)c1ccc(C=NNC(=O)Cn2nc(C)cc2C)cn1	790151174	XGENTCSLZVPOBL-UHFFFAOYSA-N	314.393	1.501	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NNc1ncccc1C	791022950	CZFPCHWTBCDQQI-UHFFFAOYSA-N	315.333	1.370	50	20	DDGD	
Cc1nnc(CNC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)o1	1319499336	VHMDMIDQRYGTTE-QCDXTXTGSA-N	310.317	1.120	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc2nnc(C(F)F)n2c1	1319109597	WNDPNYMGUJUIGZ-UHFFFAOYSA-N	324.291	1.021	50	20	DDGD	
COC(=O)c1cccc(/C=C(\C#N)C(=O)Nc2ccn(C)n2)c1	1319745871	PFHBTYLBADAXGJ-UKTHLTGXSA-N	310.313	1.752	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc(-c2cnn(C)c2)cc1	1329730830	IIISTVWLMHRDKJ-UHFFFAOYSA-N	316.361	1.200	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1cccn1C1CC1	1324609890	FOPIZEHSKSGSFQ-UHFFFAOYSA-N	306.366	1.798	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1ccnc(O)c1	1320988938	KQIRZOJNUNFTJC-UHFFFAOYSA-N	314.330	1.458	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccc2ncccc12)n1ccnc1	1322562468	KOXIZVDNEDPWKV-LLVKDONJSA-N	309.329	1.454	50	20	DDGD	
Cc1cccc(C2=NN=C/C2=C/NNC(=O)C[n+]2ccccc2)c1	1322447184	XIZPMJRVXLGOCM-UHFFFAOYSA-O	320.376	1.276	50	20	DDGD	
NC(=O)C[C@@H]1CCCN(C[C@@H](CBr)C2CC2)C1	1328756682	SQROTEQCCCXITC-CMPLNLGQSA-N	303.244	1.995	50	20	DDGD	
CSCCNC(=S)NNC(=O)CCCC(=O)C(C)(C)C	1324424653	LXOJTUZOXBDETP-UHFFFAOYSA-N	319.496	1.630	50	20	DDGD	
CN(C)Cc1cc(C(=O)NNC(=O)NC2CCCCC2)no1	1323647607	ZNOUEMFOCCRVDM-UHFFFAOYSA-N	309.370	1.013	50	20	DDGD	
C[C@@H]1CN(c2nnnn2C[C@]2(C)C[C@@H]2Br)C[C@H]1C	1334617953	UMVGTNFWPXKGGX-SVDPJWKOSA-N	314.231	1.939	50	20	DDGD	
COc1cc(C[C@H](CO)CNC(=O)CCl)cc(OC)c1	1336912614	XMJXFZLVFIIOKR-NSHDSACASA-N	301.770	1.210	50	20	DDGD	
Cc1c(C#N)cccc1C(=O)NNC(=S)Nc1ccccn1	1330287614	AENHGGSHNBPGBK-UHFFFAOYSA-N	311.370	1.893	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCOC3(CCC3)C2)cc1	1334066619	FUIIKLWMUQWQAB-CYBMUJFWSA-N	318.373	1.806	50	20	DDGD	
Cc1cc(C(F)F)n2ncc(C(=O)NNC(=O)CC3CC3)c2n1	1348684560	JIUJXAVCVKZMMN-UHFFFAOYSA-N	323.303	1.536	50	20	DDGD	
O=C(O)C1(O)CCN(C[C@@H](CBr)C2CC2)CC1	1601722394	LUCURXVBEHFANS-SNVBAGLBSA-N	306.200	1.319	50	20	DDGD	
Cn1cncc1CCC(=O)NNc1ccc(C(=O)O)c(F)c1	1608136974	LNCWTIUJWJXLBQ-UHFFFAOYSA-N	306.297	1.333	50	20	DDGD	
N#CC1(CC(=O)NNc2cccc(F)c2C(=O)O)CCOCC1	1601054939	PVSCZQUGIWGHHG-UHFFFAOYSA-N	321.308	1.677	50	20	DDGD	
CC[C@H]1C[C@@H](C(=O)NNc2ccc(CC(=O)O)cc2)CCO1	1605150689	DTYWTEBKFPAEID-JSGCOSHPSA-N	306.362	1.962	50	20	DDGD	
O=C(O)c1ccc(CNS(=O)(=O)CCCCCl)s1	1602349705	FYHRFIUPRFJBDR-UHFFFAOYSA-N	311.812	1.885	50	20	DDGD	
O=C(Cn1nnc2ccccc21)NNc1ccccc1C(=O)O	1601392683	ZAZUIQWAGVARRA-UHFFFAOYSA-N	311.301	1.273	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)C(C)(C)C(=O)O	1604719583	GEGNJKLOCIXAHH-UHFFFAOYSA-N	314.725	1.220	50	20	DDGD	
CC(=NNC(=O)[C@@]1(C)CCCO1)c1ccc(OCC(=O)O)cc1	1609553301	YOKHNLFFYKSULE-MRXNPFEDSA-N	320.345	1.559	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H](CC(=O)O)C1CC1	1610619094	QAMBHNGFXFTGNN-WEKMIXOTSA-N	300.314	1.669	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@H]2CCCO[C@@H]2c2ccnn2C)CCO1	1549313834	ACYBBIFVLSHPSM-ZLDLUXBVSA-N	320.393	1.559	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNc2cccc(C(=O)O)c2)cc1	1610629208	IVQZBJLTKCSOJF-UHFFFAOYSA-N	311.297	1.779	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@@H]1C(=O)NCC(Cl)Cl	1552569238	VNKYLKFMTMCSNY-WPRPVWTQSA-N	306.193	1.808	50	20	DDGD	
CCC(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCCNC2)ccc1F	1576932254	NROXYSLDIMBLAY-LLVKDONJSA-N	321.352	1.179	50	20	DDGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)[C@@H]1CCNC1	1574302713	NCJJTYSEVXRXFP-SECBINFHSA-N	313.810	1.189	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1845164735	YAKMHRHMGOUARI-DTWKUNHWSA-N	311.184	1.742	50	20	DDGD	
NCCCCCC(=O)NNC(=O)COc1cc(F)cc(F)c1	1580292835	UXTVWUDLBMVSNE-UHFFFAOYSA-N	315.320	1.010	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2ccncc2)C1	1842396492	JVJYQCGCSPDDCH-CYBMUJFWSA-N	321.808	1.916	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1(C)COC1	1847343322	SPMLTPQGUVMTCK-WOPDTQHZSA-N	314.813	1.242	50	20	DDGD	
C[C@H](CC(=O)O)N1CCN(C(=O)C2CCC(Cl)CC2)CC1	1592406854	YEIDVXDWACGVCR-PNESKVBLSA-N	316.829	1.791	50	20	DDGD	
Cc1c(C(=O)O)cc(C=NNC(=O)NCc2ccccc2)n1C	1599984446	KTJOVDNFRAJUAL-UHFFFAOYSA-N	314.345	1.865	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](CF)C(=O)O)cc1	1597081456	KNFRWKCTWUVKQZ-LWMSPQMPSA-N	306.293	1.531	50	20	DDGD	
O=C(/C=C\c1cccc(O)c1)NNc1ccc(-c2nn[nH]n2)cn1	1592793498	DHRANWVIRFKYFH-DAXSKMNVSA-N	323.316	1.124	50	20	DDGD	
CCCC[C@@H](NNC(=O)COc1ccc(C)c(C)c1)C(=O)O	1595640804	MPBRRGZIGNHDKI-CQSZACIVSA-N	308.378	1.946	50	20	DDGD	
CN(C)C1(CNC(=O)NNc2ccc(F)c(C(=O)O)c2)CC1	1598182339	CGGGTKAWMQLALF-UHFFFAOYSA-N	310.329	1.244	50	20	DDGD	
Cc1ccnc(NNC(=O)c2cccc(F)c2-c2nn[nH]n2)c1	1592275465	MVMZWGZQNSYURF-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
O=C(O)c1ccc2c(c1)CCCC2=NNC(=O)c1cccnn1	1776103678	VFHKBYPGYOJEAQ-UHFFFAOYSA-N	310.313	1.645	50	20	DDGD	
C=CCn1cc(C=NNC(=O)Nc2ccc(C(=O)O)cc2)cn1	1776047179	YUCXDSZOGPNYBE-UHFFFAOYSA-N	313.317	1.923	50	20	DDGD	
CC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(F)F	1795561893	OTIOCAOSTYUCQZ-JXUBOQSCSA-N	308.756	1.907	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)c2cnn(C)c2)cc1	14841256	GETOXAJFKUDJAN-UHFFFAOYSA-N	319.390	1.450	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)C1CC1	15663228	LPUPZVHAOXZDDK-SNVBAGLBSA-N	321.764	1.250	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)c1n[nH]cc1[N+](=O)[O-]	163830160	XENKQWUQTOQYDZ-UHFFFAOYSA-N	313.220	1.676	50	20	DDGD	
C=C(C)COCCNC(=O)NNC(=O)c1ccc(C#N)cc1	151508217	JFCUWDRCQMOCBO-UHFFFAOYSA-N	302.334	1.095	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2c[nH]c3ccc(F)cc23)[nH]n1	153243535	XAMVRCUTQVQVJK-UHFFFAOYSA-N	315.308	1.342	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H]2OCCc3ccccc32)n1	155610794	OJISIRLEYGSFMS-CYBMUJFWSA-N	300.318	1.242	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@@H]1C=CCCC1	157814318	PLOXPRSIYURLJN-CYBMUJFWSA-N	303.362	1.677	50	20	DDGD	
O=C(NNc1ccncc1Cl)c1cnc2sccn2c1=O	154510230	KGVJIUHDSMKQRK-UHFFFAOYSA-N	321.749	1.561	50	20	DDGD	
CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(CCCl)cc1	36900409	NNZOZXDRKPHSNR-SNVBAGLBSA-N	318.826	1.271	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)COc1ccccc1F	7593730	WTKXPPUDEGIVNY-UHFFFAOYSA-N	316.332	1.985	50	20	DDGD	
O=C(NCCc1c[nH]c2cc(F)ccc12)NNc1ncccn1	51754145	WDPUQNJZHBGGAK-UHFFFAOYSA-N	314.324	1.966	50	20	DDGD	
O=C(CCc1ccc(Cl)s1)NNC(=O)[C@@H]1CCCO1	58248579	GIIFAIJOTLNNML-VIFPVBQESA-N	302.783	1.661	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCc2c(C)noc2C)s1	107333629	DTNDKDOOXBOOKD-UHFFFAOYSA-N	322.390	1.848	50	20	DDGD	
O=C(CC[C@@H]1CCOC1)NNC(=O)c1cc(Cl)ccc1O	175866671	XYYAYQVHMHTEQT-SECBINFHSA-N	312.753	1.623	50	20	DDGD	
COC[C@@H](C)NC(=O)NNC(=O)NCc1ccc(Cl)cc1	112739219	PNPSHUFWUXNXSH-SECBINFHSA-N	314.773	1.388	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NNc1ncnc2nc[nH]c12	173956128	HOFJGGIMTBZGOA-UHFFFAOYSA-N	313.277	1.326	50	20	DDGD	
CCn1c(=O)[nH]c2cc(C(=O)NNc3ccccc3)ccc2c1=O	111552031	MXYUNUAFXQEIJJ-UHFFFAOYSA-N	324.340	1.467	50	20	DDGD	
Cc1nccc(C(=O)NNC(=O)c2cccc3cccnc23)n1	64500821	SCDOUIJSZJIMLP-UHFFFAOYSA-N	307.313	1.408	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)N1CCOCC1)c1ccccc1	172906382	NGUBGAPRJQEESL-AWEZNQCLSA-N	305.378	1.499	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(Cl)cc2)o1	176211001	ZUEVUUYGHXVXHH-UHFFFAOYSA-N	321.720	1.641	50	20	DDGD	
CCCc1ncc(C(=O)NNC(=O)c2ccccc2O)s1	175068407	KDLXMHGEQWRUBI-UHFFFAOYSA-N	305.359	1.876	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccccc1OC(F)F	68461383	AZGRESXUBYNZIO-UHFFFAOYSA-N	317.292	1.269	50	20	DDGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1c[nH]nn1	112693033	QRVUPXHOMDBSKW-UHFFFAOYSA-N	305.685	1.265	50	20	DDGD	
O=C(CCc1ccccc1F)NNC(=O)NCC(F)(F)F	60415391	FOGSGFHIEOJOSN-UHFFFAOYSA-N	307.247	1.651	50	20	DDGD	
O=C(NCCNC(=O)c1ccccc1F)NNc1ccccc1	114940118	RIOIEGZJLOVLSC-UHFFFAOYSA-N	316.336	1.882	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CN(C)C)sc2ccc(F)cc12	113427789	CYRBZOMGRTWSNM-UHFFFAOYSA-N	309.366	1.671	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c1	302854727	IRXDDPKZANGLQH-SLEUVZQESA-N	301.390	1.950	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ccncc1)N1C[C@H](C)O[C@H](C)C1	180465424	YOPLHJYMGPWTDX-GUTXKFCHSA-N	306.410	1.659	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1ccc(F)cc1O	123625688	URYGVYOZHUYJAT-UHFFFAOYSA-N	315.264	1.733	50	20	DDGD	
C=CCNC(=O)NNC(=O)c1ccc(Br)s1	74019818	GXAFDIUBVMTMQM-UHFFFAOYSA-N	304.169	1.641	50	20	DDGD	
C[C@@H](SCC(=O)NNC(=O)C1CC1)c1nc2ccccc2[nH]1	78715153	QLKLXGCFHDLVOK-SECBINFHSA-N	318.402	1.915	50	20	DDGD	
CO[C@@H](C)CCC(=O)NNC(=O)Cc1nc2ccccc2n1C	182966971	LEHLENDFVDNOLY-NSHDSACASA-N	318.377	1.078	50	20	DDGD	
C[C@H](C#N)CNC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	182807422	FZSQOGNYLSRAAL-SNVBAGLBSA-N	304.354	1.248	50	20	DDGD	
Cc1ccnc2nc(C(=O)NNc3cc(F)c(F)c(F)c3)nn12	128635115	OGWGVJMLSPIHSC-UHFFFAOYSA-N	322.250	1.607	50	20	DDGD	
C[C@H](CS(C)(=O)=O)NC(=O)NNc1ccccc1Cl	72682249	WVVSNGQASUPBDJ-MRVPVSSYSA-N	305.787	1.399	50	20	DDGD	
C[C@@H](c1ccco1)N(C)CC(=O)NNC(=O)c1ccccc1	182104966	DOTPVPTVCIBCGS-LBPRGKRZSA-N	301.346	1.734	50	20	DDGD	
CC(C)Oc1cccc(CC(=O)NNC(=O)c2cccn2C)c1	70782731	KLGZEZGHOGZOTE-UHFFFAOYSA-N	315.373	1.816	50	20	DDGD	
Cn1c(=O)oc2c(C(=O)NNc3ccncc3Cl)cccc21	125938390	UJVMTPDPORLROG-UHFFFAOYSA-N	318.720	1.937	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1	181962257	QTEPMSILVBIGCE-GHMZBOCLSA-N	306.366	1.473	50	20	DDGD	
C[C@@H](CCC(C)(C)C)NC(=O)NNC(=O)C(=O)N1CCCC1	77625363	ZKOUZDWCSGRJKZ-NSHDSACASA-N	312.414	1.154	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C2(O)CCCC2)c1C	123613606	IGRPNXWPKAJVDN-ZDUSSCGKSA-N	320.389	1.523	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(C)n(-c2cccc(F)c2)n1	180722153	IWTRUKJMQCMMBH-UHFFFAOYSA-N	307.285	1.712	50	20	DDGD	
NC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl	73188886	SRMQEMYXKYNCKX-UHFFFAOYSA-N	306.149	1.852	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CCc2ccco2)cc1	71031931	STFLBHXOCWPEMG-UHFFFAOYSA-N	301.346	1.780	50	20	DDGD	
Cc1ccncc1NC(=O)C(=O)NNc1c(C)cccc1F	187448130	FZPOURNUGCSITD-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)CC[C@@H]2CCCO2)c1	75540931	NUJYBIQUPQLZDM-AWEZNQCLSA-N	320.389	1.789	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNC(=O)Cc2cc[nH]n2)cc1	186158504	XCUKEJNJOKKTMI-UHFFFAOYSA-N	316.361	1.086	50	20	DDGD	
Cc1n[nH]c(SCC(=O)NNc2ccc([N+](=O)[O-])cc2)n1	133922477	ZZWWSMLWTWFPCP-UHFFFAOYSA-N	308.323	1.257	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)C1(c2ccccc2F)CC1	134687818	MUKAPWCVFSXALU-UHFFFAOYSA-N	317.320	1.981	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2ccnc(F)c2)c1C#N	190301884	ZFDZSFXNPBPJKI-UHFFFAOYSA-N	313.292	1.483	50	20	DDGD	
CN(C)N(C(=O)C1C(C)(C)C1(C)C)[C@H]1CCS(=O)(=O)C1	80648354	ZLYPMEYCHGUMPW-JTQLQIEISA-N	302.440	1.161	50	20	DDGD	
Cc1cnn(CCC(=O)NNC(=O)c2cccc(N(C)C)c2)c1	80199212	QAOJXYSCMZNBLO-UHFFFAOYSA-N	315.377	1.109	50	20	DDGD	
COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NNc2ncccn2)c1	191721319	ULSDQLKFZGKIGO-WCQYABFASA-N	314.345	1.741	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)Cc1ccsc1	192862573	BMWYCJGHQBCGTF-UHFFFAOYSA-N	319.386	1.559	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2cc(F)c(F)c(F)c2)n1	194300866	KYHYAQQTISAUHL-UHFFFAOYSA-N	324.262	1.889	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2cccs2)n[nH]1)c1ccc[nH]1	97358260	FPKIPMAVCADFNE-UHFFFAOYSA-N	301.331	1.541	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)c2ccc[nH]2)c1C	97166396	CBEANTUQHFGBER-UHFFFAOYSA-N	301.346	1.862	50	20	DDGD	
Cc1nn(C)c2sc(C(=O)NNC(=O)c3ccc[nH]3)cc12	97011421	AEOGJRFTGVEBAX-UHFFFAOYSA-N	303.347	1.346	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCC[C@H]21)c1cc(Br)c[nH]1	247186554	ZZYWRBYJCFIOAM-MBTKJCJQSA-N	312.167	1.584	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=Cc2cn(C)nc2C)c1	252624632	PRZZIXDWKNBTSS-UHFFFAOYSA-N	302.334	1.510	50	20	DDGD	
O=C(NC[C@H]1CCOC1)NNC(=O)c1ccc(Cl)cc1F	266974189	HUOTVPNKIJLWNQ-MRVPVSSYSA-N	315.732	1.460	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)cc1OC	269325067	AHQOKJFMNVYKLL-CYBMUJFWSA-N	322.361	1.424	50	20	DDGD	
Cc1onc(-c2ccccn2)c1C(=O)NNC(=O)NC(C)C	268887410	ZGKMVKSQEZPKRO-UHFFFAOYSA-N	303.322	1.397	50	20	DDGD	
O=C(NNC(=O)C1(O)Cc2ccccc2C1)NC1CCCCC1	369945277	VWJJQUPLKZLXMR-UHFFFAOYSA-N	317.389	1.179	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)CCn1c(C)cc(O)cc1=O	276309650	VMWJPFAKVMKXDV-UHFFFAOYSA-N	319.336	1.843	50	20	DDGD	
C=C(C)[C@H](CC(=O)NNC(=O)c1ccccc1OC)OCC	270041643	JMMJIGNASJWMLF-AWEZNQCLSA-N	306.362	1.828	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)COc2ccc(F)cc2)no1	270691855	WIIKDIBLXGFEIN-UHFFFAOYSA-N	321.308	1.777	50	20	DDGD	
C[C@H]1C[C@@H](CCNC(=O)NNC(=O)Cc2cccnc2)CCO1	273226884	VTAZSNDKEIQQQS-STQMWFEESA-N	320.393	1.160	50	20	DDGD	
CCOC(=O)C[C@@H](C)CNC(=O)NNc1ccc(Cl)nc1	270518756	LTAMJDFAPXSSAG-SECBINFHSA-N	314.773	1.950	50	20	DDGD	
CC(=O)N[C@H](CC1CCC1)C(=O)NNC(=O)Nc1ccccc1	282785541	NCTANAORKVOLEW-CQSZACIVSA-N	318.377	1.534	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@](C)(O)[C@H](C)c1ccccc1	281373685	WUIMXJIIEIOOGV-ABAIWWIYSA-N	307.419	1.222	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)N[C@H](C1CC1)C(F)(F)F	288703211	CYIIQFVGEFPALK-SECBINFHSA-N	302.256	1.367	50	20	DDGD	
Cc1cccc(C(=O)N[C@H](C)C(=O)NNC(=O)CC2CC2)c1	295657968	SGXPVHQICCYVJZ-LLVKDONJSA-N	303.362	1.061	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1	294571823	AYOXJQKMFMEYJD-CQSZACIVSA-N	324.768	1.526	50	20	DDGD	
O=C(/C=C/c1ccc2[nH]ccc2c1)NNC(=O)[C@@H]1CCCCO1	295828266	YWZQGSMTOIFPNW-ZKKXHLJNSA-N	313.357	1.898	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C1CCC1)c1ccc([N+](=O)[O-])cc1	297004026	ZEKAMJHGGAAIGO-VIFPVBQESA-N	306.322	1.786	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1cc2n(n1)CCO2	291038592	YZDSMYDFRTVVTQ-UHFFFAOYSA-N	300.322	1.090	50	20	DDGD	
O=C(CNC(=O)Nc1ccccc1)NNc1cccc(F)n1	804771008	CMKIEICZMMCFQN-UHFFFAOYSA-N	303.297	1.486	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccn(-c2ccc(F)cc2)n1	294137435	LLBXDRTURRZNON-UHFFFAOYSA-N	302.309	1.573	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H](C)CCC=C(C)C	297637261	BPRNUXMJOPIISD-STQMWFEESA-N	315.414	1.503	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NNC(=O)CCc1ccc(OC)cc1	299109873	SQAZDKLRJRWTHD-KBPBESRZSA-N	306.362	1.200	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1nccnc1C1CCC1	805475950	ZIKVYEKLUHDXGE-UHFFFAOYSA-N	305.382	1.494	50	20	DDGD	
COCCN1CC[C@@H](NC(=O)NNc2cccc(Cl)n2)C1	292797042	VGLWLGPLFYEHCN-SNVBAGLBSA-N	313.789	1.082	50	20	DDGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NNc1ccccc1C(=O)OC	803032309	PTHLSIBENBYRCB-HZMBPMFUSA-N	321.377	1.467	50	20	DDGD	
CCCC[C@@H](C)C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1	800688079	NCZRLGWCAIOYIU-MCIONIFRSA-N	313.442	1.459	50	20	DDGD	
CCOCCC1(C(=O)NNC(=O)N=c2cc[nH]cc2)CCCC1	802034891	ZOLIWIMCJJYTRR-UHFFFAOYSA-N	320.393	1.643	50	20	DDGD	
C[C@@H]1C[C@@H](C)CN(CCCNC(=O)NNc2ccncn2)C1	296314967	LENJUXHZWRHIAJ-CHWSQXEVSA-N	306.414	1.471	50	20	DDGD	
Cc1nc(C(=O)NNc2ccc(C(F)(F)F)nn2)c(C)o1	293667344	WCAJUNIYZKLHBL-UHFFFAOYSA-N	301.228	1.857	50	20	DDGD	
CCCC[C@H](C)C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1	800688078	NCZRLGWCAIOYIU-IHRRRGAJSA-N	313.442	1.459	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@](C)(O)c2ccccc2)n1	817540396	FUNXSCOYNYEWOU-HNNXBMFYSA-N	302.334	1.144	50	20	DDGD	
COc1cccc([C@H](O)C(=O)NNc2cccc(Cl)n2)c1	817004816	RCXBKYWJOLLTJE-ZDUSSCGKSA-N	307.737	1.920	50	20	DDGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNc1nc[nH]n1	816631731	CCNWXVDRKYNAPC-UHFFFAOYSA-N	300.347	1.994	50	20	DDGD	
Cc1nc2sccn2c1C=NNC(=O)N=c1cc[nH]cc1	814999996	DBAZGLHTLWPOMW-UHFFFAOYSA-N	300.347	1.677	50	20	DDGD	
COc1cc(C(=O)NN=C[C@@H]2CCCOC2)cc(OC)c1OC	814698936	VYGKODPOOIIGGJ-NSHDSACASA-N	322.361	1.855	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=C1CC[C@H](C(=O)O)c2ccccc21	815001260	BSHPFIAZOPHKFK-AWEZNQCLSA-N	324.340	1.991	50	20	DDGD	
Cc1ccc(-c2n[nH]c(SCC(=O)NN(C)C3CC3)n2)cc1	819649068	DEIZXCYPMUGQRC-UHFFFAOYSA-N	317.418	1.998	50	20	DDGD	
CC(=O)Nc1nc(C(=O)NNc2cccc(Cl)n2)cs1	817007711	MPYKHKPONDNPKS-UHFFFAOYSA-N	311.754	1.907	50	20	DDGD	
COc1ncnc(N)c1C=NNC(=O)Nc1ccc(Cl)cc1	815004232	BTPRIBYGNYUQBF-UHFFFAOYSA-N	320.740	1.876	50	20	DDGD	
CO[C@H](C)[C@@H](C)NC(=O)NNC(=O)c1cn(C)c2ccccc12	811850749	DJLCYZSTRZTAAH-GHMZBOCLSA-N	318.377	1.546	50	20	DDGD	
CC(C)(CCNC(=O)NNC(=O)Cc1ccsc1)C(=O)O	818623181	GHGSQKQBCJZZTK-UHFFFAOYSA-N	313.379	1.122	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ncncc2F)cc1Cl	815763767	AHWKGDFCLHFUQT-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)Cc1ccc(Br)cc1	823992783	AUQWIWRKZJRSCG-SECBINFHSA-N	301.184	1.335	50	20	DDGD	
CCCCC[C@@H](O)C(=O)NNC(=O)c1ccc(OC)c(OC)c1	822189099	NIYVALABFAHMIB-GFCCVEGCSA-N	324.377	1.406	50	20	DDGD	
CCCN(NC(=O)[C@@H]1NC(=O)O[C@H]1C)C(=O)OC(C)(C)C	496439442	AAXGGGSWYGEATE-DTWKUNHWSA-N	301.343	1.162	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)/C=C\C1CCOCC1	491884611	NYCNUPHPXNWCKK-SREVYHEPSA-N	318.373	1.368	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)[C@@H](C)c1ccncc1	827300809	UMQWAAPDKZYBIC-GVXVVHGQSA-N	306.366	1.240	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(N(C)C)c2ccccc2n1	822782425	UEJVJYJYZSKDHK-UHFFFAOYSA-N	301.350	1.265	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cc(C(F)F)n(C)n2)n1	822966380	ADAZVEVLSLFAIF-UHFFFAOYSA-N	316.699	1.866	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1	728170135	IHHWJJSPMFOKAI-CYBMUJFWSA-N	302.334	1.304	50	20	DDGD	
O=C(NNC(=S)Nc1ccc2c(c1)OCCCO2)C1CC1	727270895	RWEURBHQIUBYRS-UHFFFAOYSA-N	307.375	1.576	50	20	DDGD	
COc1cccc(C[C@H](C)CC(=O)NNC(=O)c2cc[nH]n2)c1	824835004	JVWWJGRQVMGLRN-NSHDSACASA-N	316.361	1.448	50	20	DDGD	
O=C(NN=CC[C@H]1CCOC1)c1ccc(-c2nn[nH]n2)cc1	826444692	QMKOARTUVFRAKY-JTQLQIEISA-N	300.322	1.009	50	20	DDGD	
C[C@@H](CC(=O)O)C(=O)NNC(=O)c1c(Cl)cccc1Cl	827304097	OXDXUQBGCYLBAN-LURJTMIESA-N	319.144	1.865	50	20	DDGD	
CCCC(=O)N1CSC[C@@H]1C(=O)NNC(=O)C1CCCC1	727304195	GTCVXGNMVVORHW-LLVKDONJSA-N	313.423	1.026	50	20	DDGD	
COC(=O)NNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1	495510644	OVURLYVNLOVCID-UHFFFAOYSA-N	311.297	1.682	50	20	DDGD	
O=C(NCB(O)O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1	585060562	SISYWFOXPXEMRG-WDEREUQCSA-N	316.191	1.474	50	20	DDGD	
CN(C)CC(=O)NN=Cc1cnn(Cc2ccccc2Cl)c1	727647897	MOMIWWYTZICIRS-UHFFFAOYSA-N	319.796	1.597	50	20	DDGD	
CN1CCCC(=NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1	826029817	XNHSJMILRBUBAK-UHFFFAOYSA-N	313.365	1.068	50	20	DDGD	
CN(C)C1(CNC(=O)[C@]2(C)C[C@@H]2Br)CCOCC1	906696712	IUYQUCQZZKCATP-CMPLNLGQSA-N	319.243	1.387	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NNC1=N[C@H]2C=C[C@H]1C2	494301026	YPRJAYSBNFBMMU-QWRGUYRKSA-N	308.382	1.269	50	20	DDGD	
CCCc1cc(NC(=O)NNC(=O)c2cccc(F)n2)n(C)n1	822331708	FDIUSQZFTJWJQM-UHFFFAOYSA-N	320.328	1.373	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)n1cc(-c2ccccc2OC)nn1	900543952	YCCOSJCYBHMNSJ-JTQLQIEISA-N	317.349	1.072	50	20	DDGD	
Cc1ccncc1[C@H](C)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	826835250	JWIKJCADVJTAAD-QJPTWQEYSA-N	306.366	1.206	50	20	DDGD	
CC(C)CCC(=O)NNS(=O)(=O)c1ccsc1C(=O)O	736427401	FVFXCYYVIPBOEI-UHFFFAOYSA-N	320.392	1.192	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1cc2c(nc1O)CCC2	735688212	DFNUUZNHGVZDRZ-UHFFFAOYSA-N	305.725	1.476	50	20	DDGD	
C[C@@H](NCc1ccc(B(O)O)cc1)[C@@H](O)c1ccc(Cl)cc1	585024912	HEIKZRUGBUPJND-BDJLRTHQSA-N	319.597	1.232	50	20	DDGD	
CC(C)C1CCC(N(C)C(=O)c2ccc(B(O)O)cc2)CC1	584981375	CNPHHBUVJACKMQ-UHFFFAOYSA-N	303.211	1.653	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H](O)c1ccccc1C(F)(F)F	909999889	JGBYFLPFMIRHAR-VIFPVBQESA-N	321.324	1.206	50	20	DDGD	
COc1ccc(-c2cc(C(=O)N3CC[C@H](B(O)O)C3)no2)cc1	902551659	HARRKCBQDIUQPT-NSHDSACASA-N	316.122	1.039	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@H](C)N(C)C)cc1F	822649373	YYSOPQOVSIKEKM-QMMMGPOBSA-N	314.386	1.102	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2COC[C@@H]2OC)cc1	491175307	KVXCQIYMIRHZHS-HRANTDMQSA-N	316.357	1.522	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C1C(=O)Nc2cccc(Cl)c21	735411633	NDUAUGLQPHBRPA-UHFFFAOYSA-N	303.709	1.458	50	20	DDGD	
CN(NC(=O)c1ccnc(N)c1[N+](=O)[O-])C(=O)OC(C)(C)C	496120176	GLUOFSFGXQWVSH-UHFFFAOYSA-N	311.298	1.084	50	20	DDGD	
COc1cc(F)cc(NNC(=O)/C=C\c2cnc(OC)nc2)c1	492701380	DJOGKZKLERWCCT-ARJAWSKDSA-N	318.308	1.789	50	20	DDGD	
CC(C)(C)n1nnc(CC(=O)NNc2cccc([N+](=O)[O-])c2)n1	830762742	WQYHIGULBHLAMG-UHFFFAOYSA-N	319.325	1.022	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1C[C@H]1C(=O)O	739548699	QRVPZLROOUVAAT-HERVYFSGSA-N	306.362	1.071	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2cnccc2C)n1	836609322	LDAUSMLJBQVOLN-UHFFFAOYSA-N	302.338	1.323	50	20	DDGD	
CCOCC(=O)NN=Cc1cc(C#N)ccc1Br	901184687	HZNKITNRFXACCR-UHFFFAOYSA-N	310.151	1.807	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccccc2O)ccc1F	730782872	XHKBXQNYQCAINI-UHFFFAOYSA-N	318.304	1.680	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1CCC[C@@H]2CCCC[C@@H]21	585010960	VHZDNDWPNCGJJW-NHYWBVRUSA-N	305.158	1.300	50	20	DDGD	
CCCC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)C1CCCC1	834937063	IBKCLGVEQHWURC-LBPRGKRZSA-N	300.424	1.884	50	20	DDGD	
Cc1cc(C)c(NC(=O)NNC(=O)c2cnn(C)c2)c(C)n1	836632712	PRYLXLHHZKPGQZ-UHFFFAOYSA-N	302.338	1.207	50	20	DDGD	
C[C@@]1(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H]1Br	907064448	JCMMATGIOKHBPQ-WCBMZHEXSA-N	317.143	1.081	50	20	DDGD	
C[S@@](=O)CCNC(=O)NNc1cccc(Cl)c1Cl	838496509	PRMIVPWZJMXOHG-GOSISDBHSA-N	310.206	1.998	50	20	DDGD	
CCCCNC(=O)NNC(=O)/C=C/C(=O)c1ccc(C)cc1	900383593	WRVBTMAWBRJGDP-MDZDMXLPSA-N	303.362	1.864	50	20	DDGD	
OB(O)c1ccc(CN[C@H](c2ccc(F)cc2)C2CCC2)o1	585021209	HIISRGQYMFTWLP-INIZCTEOSA-N	303.142	1.730	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21)Nc1ccc(Cl)cc1	908051033	GCQKYVHHASGRDA-ADEWGFFLSA-N	307.737	1.718	50	20	DDGD	
CC(=NNC(=O)CO)c1cnc2sc(C(=O)O)c(C)c2c1	833384126	CMJJAEVKEGMZMV-UHFFFAOYSA-N	307.331	1.135	50	20	DDGD	
O=C(NNC(=O)C1(c2ccc(F)cc2)CCC1)[C@@H]1CCCCO1	833246845	SNTPZMSKHVZNGD-AWEZNQCLSA-N	320.364	1.964	50	20	DDGD	
CC(C)c1ccccc1NC(=S)NNC(=O)CCC(N)=O	907861380	XGBDWUUBLHVQDK-UHFFFAOYSA-N	308.407	1.393	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C1CCCC1)N1CCc2ccccc2C1	732271136	CPVVZUKESKKECS-ZDUSSCGKSA-N	315.417	1.771	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)N[C@H]1CCC[C@@H]2C[C@H]12	838776985	PEOLXHDPCMQZKX-WOPDTQHZSA-N	319.361	1.290	50	20	DDGD	
COCc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	831733929	FPXDRWPYNQQMSG-GWCFXTLKSA-N	307.350	1.411	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cccc(C#N)c1)N(CC)CC	736012631	HWKRHUVUUQNXFZ-CQSZACIVSA-N	302.378	1.440	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCC(C)(C)N1CCC[C@H](C)C1	919797745	SVKKGIQIVIHCEQ-ZDUSSCGKSA-N	312.458	1.873	50	20	DDGD	
CCCCCCO[C@H](C)C(=O)NNc1ccnc(N(C)C)n1	839688610	QFWAXEKSXWQBOX-GFCCVEGCSA-N	309.414	1.971	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=Cc2ccccc2)C[C@@H](C)O1	916372279	PPKFWEZDSAVZJW-SOUVJXGZSA-N	303.406	1.882	50	20	DDGD	
Cn1c(NNC(=O)COC2(C)CCC2)nc2ccccc2c1=O	746179087	LFALMLLSEOSGAD-UHFFFAOYSA-N	316.361	1.336	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)c1cc([N+](=O)[O-])ccc1O	743059564	JLYFKHZHPPLSIU-ZETCQYMHSA-N	312.351	1.208	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1cncn1-c1ccccc1	743470098	NSMIFCQIOOIAQA-UHFFFAOYSA-N	320.316	1.296	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(C(F)(F)F)nc1O	918584603	KKVRXMDQRAVVHI-UHFFFAOYSA-N	305.256	1.613	50	20	DDGD	
CC(C)C(=O)NNC(=O)CSc1nc2ccc(F)cc2o1	919853560	KJVZDNFNYPGVOI-UHFFFAOYSA-N	311.338	1.862	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CNC1(C2CCC2)CC1	844417955	NHMAAKJSXQASIJ-UHFFFAOYSA-N	315.417	1.607	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCc1ccc2ccccc2c1O	910144865	OOUHPCVYFOZOAK-LBPRGKRZSA-N	302.374	1.822	50	20	DDGD	
CC1(C)Cc2cc(C(=O)NNC(=O)Cc3cc[nH]n3)ccc2O1	843790701	FQUZGQFMGDAVKS-UHFFFAOYSA-N	314.345	1.127	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	749866166	IOCFPNOHPUSKSM-LLVKDONJSA-N	317.320	1.758	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1	912580370	CPBFURRURYSRDC-RYUDHWBXSA-N	312.486	1.745	50	20	DDGD	
CC1=C(C)C[C@H](C(=O)NNC(=O)Cn2nc(C)cc2C)CC1	843754177	OXINLLXQVAGACZ-CQSZACIVSA-N	304.394	1.784	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(OCC(F)(F)F)cc1	910170535	LJPLIBHERYIVOW-SECBINFHSA-N	306.284	1.585	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1ccc(F)cc1	843655389	JJFONJBQXOZGFN-BPNCWPANSA-N	308.353	1.892	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)C(=O)NNC(=O)Cc1ccncc1	747322744	KXBOMVSXDGSDLU-SECBINFHSA-N	302.334	1.180	50	20	DDGD	
CC(C)(C)OC(=O)[C@@]1(C(=O)NNC(=O)C2CC2)CC=CCC1	845077063	SICVUNVVJIPCHJ-INIZCTEOSA-N	308.378	1.612	50	20	DDGD	
CC(C[C@H]1CCCC(=O)N1)=NNC(=O)Cc1nc(C)cs1	841618714	RSQGDXBBVHARMX-LLVKDONJSA-N	308.407	1.545	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CNc1ccccc1Cl	843972644	HIGRAGJAGDYPAY-NXEZZACHSA-N	311.769	1.324	50	20	DDGD	
CN(NC(=O)c1cccc(CS(N)(=O)=O)c1)c1ccccc1	749402094	FOEMCGNAICTXDX-UHFFFAOYSA-N	319.386	1.256	50	20	DDGD	
CCc1ncncc1C(=O)NNC(=O)CNc1ccc(C)cc1	743294306	VOHGJACHEHDRNW-UHFFFAOYSA-N	313.361	1.221	50	20	DDGD	
COc1ccc(CC(C)=NNC(=O)Cc2cc(C)[nH]n2)cn1	841617469	WUDXJNBXROWKMQ-UHFFFAOYSA-N	301.350	1.399	50	20	DDGD	
CC[C@@H]1CCCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C1	744388076	ZYYPKIZCXZHVOF-CYBMUJFWSA-N	314.389	1.441	50	20	DDGD	
O=C(NNc1ncccn1)[C@H](C[C@H]1CCCO1)C(F)(F)F	845164490	ZOYBTTOUDAXBNL-BDAKNGLRSA-N	304.272	1.667	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)C[C@@H]1C(=O)Nc2ccccc21	746347211	SIYOPUTXWOBGNA-AWEZNQCLSA-N	323.352	1.882	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2cccc3ccccc23)nn1C	917631283	OXSMFAUWKIEIGX-UHFFFAOYSA-N	322.368	1.885	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(Br)c(F)c1	910167553	HRUSXYYZFAOSDS-SSDOTTSWSA-N	305.147	1.546	50	20	DDGD	
COCn1cc(NC(=O)c2c(C)nn(CCCl)c2C)cn1	910633387	CGSHLSVHUGMNDE-UHFFFAOYSA-N	311.773	1.791	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H]1CCCc2ccc(OC)cc21	847395259	SNMUEXAHQXDOGM-CYBMUJFWSA-N	305.378	1.856	50	20	DDGD	
C[C@@H](CCCCN)NC(=O)NNC(=O)C(C)(C)c1ccccc1	841996815	AMXRDUUJJCNBNK-ZDUSSCGKSA-N	320.437	1.812	50	20	DDGD	
N#CSCCCNS(=O)(=O)CCc1cccc(F)c1	917007411	NHIBFKHEAHBMDJ-UHFFFAOYSA-N	302.396	1.892	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)CCC2(C)CC2)cc1	910035817	LNHPHPVYFWMRQW-UHFFFAOYSA-N	318.373	1.880	50	20	DDGD	
O=C(O)CCOc1cccc(C=NNC(=O)c2cccnc2)c1	746677415	VUKNVADBWAJUEI-UHFFFAOYSA-N	313.313	1.699	50	20	DDGD	
COC(=O)C12CC(C(=O)NNc3oc(C(C)C)nc3C#N)(C1)C2	843778997	NWUKEGQNVPERDG-UHFFFAOYSA-N	318.333	1.456	50	20	DDGD	
CC[C@H](NC(=O)NNc1cncc(Cl)n1)C1CCOCC1	746425706	INLSKYVAWLMDRI-JTQLQIEISA-N	313.789	1.961	50	20	DDGD	
COC(=O)[C@H](Cc1ccc(F)cc1)NNC(=O)[C@@H]1CCCCO1	842151625	VAKDOMFCPPUPDE-KBPBESRZSA-N	324.352	1.100	50	20	DDGD	
CCC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CCOC1	741842121	FKDIBHLEZATVMT-SECBINFHSA-N	307.306	1.833	50	20	DDGD	
CC[C@@](O)(CC(=O)NNc1ncncc1F)c1ccccc1	840461971	NJXSOCPGCLAFKV-OAHLLOKOSA-N	304.325	1.747	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc2ccccc2n1	748253386	NCDHWKRKKHERRL-GFCCVEGCSA-N	301.346	1.736	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1)c1ncccn1	841614505	OKFSYSJLSKJGBQ-RWMBFGLXSA-N	319.409	1.062	50	20	DDGD	
CC(C)Oc1cccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n1	843662580	RRZHFOJFJVQGTP-WDEREUQCSA-N	307.350	1.055	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1CCO[C@H](c2ccccc2)O1	847391698	FPTPFOKISBWAOW-ZFWWWQNUSA-N	321.377	1.621	50	20	DDGD	
CCc1oc(C=NNC(=O)[C@H]2CCO[C@H]2C)cc1C(=O)OC	842561498	RECJZFMJOSIMLL-ONGXEEELSA-N	308.334	1.504	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC1CCNCC1)c1ccccc1	841916005	VVGXRLWSKOQKNA-CQSZACIVSA-N	304.394	1.263	50	20	DDGD	
O=C(Cc1ccc(Cl)cn1)NNC(=O)OCC(F)(F)F	856019534	XBRHHGQCVUGNEL-UHFFFAOYSA-N	311.647	1.597	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1cccc([N+](=O)[O-])c1C	756824562	UXDWFBXFOCXYFW-UHFFFAOYSA-N	318.333	1.366	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cnc(C2CC2)s1)C1CC1	855100366	AEKQWTSDRFPAFI-SSDOTTSWSA-N	310.448	1.928	50	20	DDGD	
CCCNC(=O)NNC(=O)C(C)(C)Oc1ccc(OCC)cc1	921039354	OGFSKRWXPRLHFR-UHFFFAOYSA-N	323.393	1.983	50	20	DDGD	
CN1CCC[C@H](c2cccc(C(=O)NNc3cnnn3C)c2)C1	857270473	DHKLUPJEVXEPJV-AWEZNQCLSA-N	314.393	1.381	50	20	DDGD	
CCn1nncc1CNC(=O)NC[C@@]1(C)C[C@@H]1Br	858627528	BGLQCKSFIKRFLG-GXSJLCMTSA-N	316.203	1.271	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)Cc1cccc(C)c1	854281536	WREJCFUHJJNKKG-UHFFFAOYSA-N	309.435	1.412	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cc(F)ccc1OC(F)F	853331295	NUPQXSHSASVGPW-UHFFFAOYSA-N	319.239	1.233	50	20	DDGD	
C[C@H]1OCC[C@H]1SCC(=O)NNC(=O)c1ccc(C#N)cc1	754719074	JBGJMVJCQSREHR-ZWNOBZJWSA-N	319.386	1.230	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)NC[C@@]1(C)CCC(=O)N1	922804375	AFCVPKDTCPFRGL-CQSZACIVSA-N	310.785	1.943	50	20	DDGD	
C[C@@]1(CNC(=O)N[C@@H]2CCCC[C@H]2O)C[C@H]1Br	856951937	HTKZYAJZDPKPBT-BFLSOPEQSA-N	305.216	1.763	50	20	DDGD	
COCCn1cc(NC(=O)NNc2ncc(Cl)cn2)cn1	856719889	WPYYFABFVPLGNP-UHFFFAOYSA-N	311.733	1.122	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)NNC(=O)c2cccc(F)n2)C[C@H]1C	852709507	WYUPFSBUJYBOSG-MXWKQRLJSA-N	308.357	1.989	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNC(=O)Cc1cn2ccccc2n1	859803871	IUYBUZOKFXHOSI-ZDUSSCGKSA-N	318.377	1.229	50	20	DDGD	
Cn1nc(C2CC2)cc1C(=O)NNC(=O)c1ccccc1F	929232846	XHLHQWQKWIDDEP-UHFFFAOYSA-N	302.309	1.511	50	20	DDGD	
CN(C)[C@H]1CCC[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	852224484	GCVYXIXFHONDMB-MNOVXSKESA-N	323.372	1.038	50	20	DDGD	
CC1(NC(=O)NC[C@]2(C)C[C@@H]2Br)CCNCC1	857105374	KHOHOXWBNAZXOV-ONGXEEELSA-N	304.232	1.601	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(-c2cccc(OC)c2)no1	858808921	OPIYKZWQZMXIAF-UHFFFAOYSA-N	318.333	1.704	50	20	DDGD	
COCCOCCC(=O)NNc1ccc([N+](=O)[O-])cc1F	855621606	YYJWDJCAEOFASF-UHFFFAOYSA-N	301.274	1.230	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCCCN(C)C)c1C	855627408	NDJVNQWBGFEADT-UHFFFAOYSA-N	307.394	1.957	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)/C=C/SC	751529743	FJDHPIQYSDQZPZ-CMDGGOBGSA-N	310.375	1.488	50	20	DDGD	
CSSCCN1C(=O)N[C@H](CN2CCCCC2)C1=O	925343551	MDXXJMAYCJQFGQ-SNVBAGLBSA-N	303.453	1.404	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cnn(-c2cccc(C)c2)c1C	854926870	NVQBWLKGNQXLJW-UHFFFAOYSA-N	317.418	1.570	50	20	DDGD	
Cc1nc(C=NNC(=O)[C@H](C)CN2C[C@H](C)O[C@H](C)C2)[nH]c1C	853280572	HDDSCJVTKCFPIS-UTUOFQBUSA-N	321.425	1.222	50	20	DDGD	
CCC[C@@H](O)CC(=O)NNC(=O)Cn1ccc2ccccc21	750299982	CWPQUUHAXVXZMI-CYBMUJFWSA-N	303.362	1.340	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](CC(=O)OCC)C(F)(F)F	855515716	HFNVXGTUSWOTRH-UFGYOYAJSA-N	308.256	1.431	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1ccnc(C2CC2)n1	755194623	SYKHXGVUZJFIJE-UHFFFAOYSA-N	324.266	1.920	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C[C@H](C)c1ccncc1	854282121	CTWBAXTVYGDGNQ-LBPRGKRZSA-N	324.450	1.449	50	20	DDGD	
Cc1cccc(OC[C@@H](C)NC(=O)NNC(=O)c2cn[nH]c2)c1	858157142	ULBKQVILFUYYQE-LLVKDONJSA-N	317.349	1.130	50	20	DDGD	
CNC(=S)N(C)NC(=O)C1(c2ccccc2)CCOCC1	854925433	GJBYJHVIKLCLBP-UHFFFAOYSA-N	307.419	1.202	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cnn(C(C)C)c2N)n1	758276881	GPSBPJUCGLOEMF-UHFFFAOYSA-N	309.761	1.555	50	20	DDGD	
CNC(=S)N(C)NC(=O)C(C)(C)c1ccc2c(c1)OCO2	854921140	MHARMPCVYNGKAA-UHFFFAOYSA-N	309.391	1.160	50	20	DDGD	
CN1C(=O)CC[C@@H]1C(=O)OC[C@@H](CBr)C1CC1	859666643	RJLZNOQPXNUNBS-NXEZZACHSA-N	304.184	1.572	50	20	DDGD	
CCN(CC)c1ccc(C=NNC(=O)[C@@H]2CCC(=O)N2)cc1F	863148672	HVYWQRYIWRZAGO-ZDUSSCGKSA-N	320.368	1.401	50	20	DDGD	
Cc1oc(C(=O)NNC(=O)CCc2ccccc2)cc1CO	865086834	UOJCUPNJVMCKSM-UHFFFAOYSA-N	302.330	1.474	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCCCO[C@H]1CCOC1	866950062	ZOECOIBBPRIHSN-NSHDSACASA-N	313.847	1.366	50	20	DDGD	
O=C(NNC(=O)C1(F)CCOCC1)c1ccc2ccccc2n1	864383316	XZGGWDPCQFRLNR-UHFFFAOYSA-N	317.320	1.515	50	20	DDGD	
Cc1cccc(CO[C@H](C)C(=O)NNC(=O)c2cc[nH]n2)c1	869239786	RMVTUCWNZMWJHC-LLVKDONJSA-N	302.334	1.084	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@H]1CCN1C1CCCC1	862465677	CDESPEJPILZIGZ-OAHLLOKOSA-N	319.380	1.533	50	20	DDGD	
NC(=O)[C@H]1CCC[C@H](C(=O)NNCC(F)(F)C(F)(F)F)C1	863100520	WRPDNLZUCCNFFR-BQBZGAKWSA-N	317.258	1.097	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)N[C@H]1CC[S@](=O)C1	762326683	QTZQULPLQSBIHS-SVPXGXJHSA-N	307.297	1.251	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21	935966561	GKSRFEWPJWONMA-RJTWHSRJSA-N	310.361	1.398	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCCNc1cnccn1	767323141	MCHLCXLLAPGYQO-SNVBAGLBSA-N	315.215	1.814	50	20	DDGD	
CC[C@H](CC(F)(F)F)NC(=O)NNC(=O)Cc1cccnc1	760669876	PAUWTYDQBZLKCF-SNVBAGLBSA-N	318.299	1.686	50	20	DDGD	
CC(=O)N1CCc2cc(C(=O)NN[C@@H](C)C(F)(F)F)ccc21	862306230	GTGLDSRDZSJJFC-QMMMGPOBSA-N	315.295	1.781	50	20	DDGD	
CC(C)[C@H]1CCCCC1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	764680388	DHSSYPWIGKJDMW-VXGBXAGGSA-N	315.439	1.675	50	20	DDGD	
C[C@H](NNC(=O)c1ccccc1N1CCOCC1)C(F)(F)F	862310167	ZVAHQWOSKACFEH-JTQLQIEISA-N	317.311	1.708	50	20	DDGD	
C/C(=C\c1ccc(Br)o1)C(=O)NNC(=O)N(C)C	865047469	NOUFSBRBWZHWRE-VOTSOKGWSA-N	316.155	1.748	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1cc(C)oc1C(F)(F)F	869907515	NRCLKKSOAVYOJY-UHFFFAOYSA-N	324.255	1.031	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)c2ccc(Cl)s2)o1	760416520	GEBGDTJQYJZEGE-UHFFFAOYSA-N	312.734	1.947	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2C[C@@]23CCOC3)c1	763728396	NWSAUDFRXZEMLG-IUODEOHRSA-N	305.403	1.739	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NNC(=O)COc1ccc(F)cc1	862992235	COHXNBQRIGJYQB-ZDUSSCGKSA-N	323.368	1.225	50	20	DDGD	
CCc1c(C(C)=NNC(=O)CS(C)(=O)=O)oc2ccccc12	863188793	NFWQTXHZFRRQSZ-UHFFFAOYSA-N	322.386	1.880	50	20	DDGD	
CC(=O)NC[C@H](CC(=O)NN[C@H](C)C(F)(F)F)CC(C)C	862321279	UFEZERHSOZWHJW-KOLCDFICSA-N	311.348	1.747	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccc2c(cnn2C(F)F)c1	764678233	PXEBGDCUFZGABS-UHFFFAOYSA-N	309.276	1.994	50	20	DDGD	
CC(C)c1nocc1C(=O)NNC(=O)CCc1ccccc1O	863866677	MLSFBPSSAZKEFJ-UHFFFAOYSA-N	317.345	1.897	50	20	DDGD	
Cc1cc(C)n(CCC(=O)NNC(=S)Nc2ccccn2)n1	768584042	GVIUKXBRCOYASQ-UHFFFAOYSA-N	318.406	1.303	50	20	DDGD	
CN(C[C@H]1C[C@@H](O)C1)C(=O)NC[C@@]1(C)C[C@H]1Br	875757324	DKMYDNBFCRJSKR-DTHBNOIPSA-N	305.216	1.572	50	20	DDGD	
CC(Cc1ccc(F)cc1[N+](=O)[O-])=NNC(=O)N1CCOCC1	872346231	MMZCTALPOIFPHM-UHFFFAOYSA-N	324.312	1.694	50	20	DDGD	
O=C(CNC1(c2ccc(F)cc2F)CCC1)NNC(=O)C1CC1	775462566	YJYCWKIQSBLTCV-UHFFFAOYSA-N	323.343	1.491	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNC(=O)Cc1ccccc1F)C(C)C	874448027	MEDBFFQNRXZQIH-AWEZNQCLSA-N	324.352	1.351	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@H](C)c2ccco2)nc1C	778424933	HLOAVZDBZKKVHZ-SECBINFHSA-N	318.333	1.802	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1cccc2cc[nH]c12	776063598	VQGDHSIJMDTTMT-UHFFFAOYSA-N	309.329	1.958	50	20	DDGD	
CCO[C@@H](C(=O)O[C@H](C)C(=O)NNC(=O)CC)c1ccccc1	772041267	BZTJRTFBAXXMTN-BXUZGUMPSA-N	322.361	1.253	50	20	DDGD	
C[C@H]1COCCCN1C(=O)NNC(=O)c1ccc(C#N)cc1	772995839	AMNWIQHACGFQPI-NSHDSACASA-N	302.334	1.023	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)c2c[nH]nc2C)c(C)nc1C	777139994	RPYBUCMFTKYMLA-UHFFFAOYSA-N	315.333	1.007	50	20	DDGD	
Cc1cccc(C=NNC(=O)N2CCOCC2)c1OC(F)F	777885708	AIDYKGRZSMIIIV-UHFFFAOYSA-N	313.304	1.972	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)N[C@H](C)C(=O)N(C)OC	875907947	QTOZWEJIUAYJBG-LLVKDONJSA-N	308.382	1.592	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cccc2c1OC(C)(C)C2	779817126	IKMVGWRCBPCGAA-UHFFFAOYSA-N	305.334	1.206	50	20	DDGD	
CCCN(CC(=O)NNC(=O)c1cccc(C)c1)CC(C)(C)O	777577960	VZPJLCJXHVYBOL-UHFFFAOYSA-N	321.421	1.239	50	20	DDGD	
COc1ccc(F)cc1NC(=O)NNC(=O)C1CCOCC1	879082060	WGPVPZSREQHGAX-UHFFFAOYSA-N	311.313	1.414	50	20	DDGD	
CN(C)N(C(=O)[C@@H]1CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1	776305761	HLYLNQUYPGATPX-NEPJUHHUSA-N	302.440	1.305	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)C(C)(C)CO)c1C	776316672	NSIFEKXBRHLCSJ-GFCCVEGCSA-N	308.378	1.237	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1csc2c1CCCC2	771939227	MSOAUFDXNSDOBD-SECBINFHSA-N	324.402	1.730	50	20	DDGD	
COC(=O)[C@@H](C)n1cccc1C=NNC(=O)c1ccccn1	774575056	KMNUQSRHGLFEMR-LLVKDONJSA-N	300.318	1.381	50	20	DDGD	
COc1cc(C)cc(C=NNC(=O)Cn2nc(C)cc2C)c1O	884397461	FQORABYAOZWWIC-UHFFFAOYSA-N	316.361	1.673	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@@H](CCO)c1ccccc1	774854307	YJHKMYMNOPLCHI-HIFRSBDPSA-N	321.421	1.282	50	20	DDGD	
O=C(CN1CCOCC12CCCC2)NNC(=O)c1cccs1	777711889	ALRHRMWXPFLOHC-UHFFFAOYSA-N	323.418	1.154	50	20	DDGD	
O=C1CSC[C@@H](C(=O)NNc2ccc(Cl)cc2F)N1	885104899	TUGDYGKNITXKDO-VIFPVBQESA-N	303.746	1.154	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)N[C@@H]1CCCc2sccc21	883621460	LOOWRDAGBJUJSF-SNVBAGLBSA-N	317.374	1.560	50	20	DDGD	
COc1cc(C)cc(CNC(=O)NNC(=O)C2CCOCC2)c1	883530036	WLTPPBNSNYGHDH-UHFFFAOYSA-N	321.377	1.261	50	20	DDGD	
COC(=O)C[C@]1(NC(=O)c2cccc(CCl)c2)CCOC1	1120720952	AMLOFEJLCZEMOG-OAHLLOKOSA-N	311.765	1.877	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@@H]1CCOC2(CCC2)C1	889338906	ZAWURDGJIZPNLG-CYBMUJFWSA-N	303.362	1.121	50	20	DDGD	
O=C1CCCN1C[C@H]1CCCCN1S(=O)(=O)CCCCl	881881571	QKBMUEVXQFGFPS-GFCCVEGCSA-N	322.858	1.422	50	20	DDGD	
O=C(CC1OCCO1)NNc1nc(-c2ccc(Cl)cc2)no1	788663250	VXTJXDDADXPMFN-UHFFFAOYSA-N	324.724	1.596	50	20	DDGD	
Cc1cccc(C[C@@H](CO)NS(=O)(=O)CCCCCl)c1	786136969	XDSWPZOSEKNYPJ-AWEZNQCLSA-N	319.854	1.837	50	20	DDGD	
CCc1nnc(O)c(C(=O)NNc2ncncc2Cl)c1CC	781835749	HGLAVWSLIQVKMM-UHFFFAOYSA-N	322.756	1.507	50	20	DDGD	
Cc1nnc(NNC(=O)CCCc2ccc(O)c(F)c2)nc1O	787991214	MRVORMCDJSEWIM-UHFFFAOYSA-N	321.312	1.196	50	20	DDGD	
CCOC(=O)[C@@H](C)N(C1CC1)S(=O)(=O)CBr	786921805	AMTSBMMAEAVBBY-SSDOTTSWSA-N	314.201	1.085	50	20	DDGD	
O=C(NNC(=O)C12CCC(CC1)C2)c1ccc2c(c1)OCCO2	783839321	HDOBKQKJBYQNFO-UHFFFAOYSA-N	316.357	1.799	50	20	DDGD	
Cc1nn(-c2ccccc2)cc1NC(=O)NNC(=O)C(C)C	782613532	NZQCNNVQNUDMOD-UHFFFAOYSA-N	301.350	1.989	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cnc(Cl)cn2)c1	787886844	QLTIOLKEKNGKGR-UHFFFAOYSA-N	301.693	1.076	50	20	DDGD	
Cc1cc(F)ccc1NC(=O)C(=O)NNc1ncc(F)cn1	784950148	MOHBORUUUIOECV-UHFFFAOYSA-N	307.260	1.145	50	20	DDGD	
Cn1cc(NC(=O)NNC(=O)c2ccc[nH]2)c(C(F)(F)F)n1	782802849	QIZSRFGYVCFUFG-UHFFFAOYSA-N	316.243	1.234	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CCN2C(C)(C)C)c(F)c1	897943426	VGCOVYPLYRZBNZ-ZDUSSCGKSA-N	323.368	1.928	50	20	DDGD	
O=S(=O)(CBr)Oc1ccc(-n2cncn2)cc1	782451087	ZTEIGRJEJMSXCV-UHFFFAOYSA-N	318.152	1.328	50	20	DDGD	
COc1ccc2nc(C=NNC(=O)c3cnccn3)sc2c1	788710500	ZWDGQWYQBJNGEN-UHFFFAOYSA-N	313.342	1.859	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cccc3nccn23)c1	780796185	MTTSBOGMFTWMTR-UHFFFAOYSA-N	310.313	1.878	50	20	DDGD	
C[C@H]1CC[C@H](CNC(=O)NNC(=O)c2cccc(C#N)c2)C1	792897652	DKKOHQSQBTYBSF-AAEUAGOBSA-N	300.362	1.938	50	20	DDGD	
CCOCC1(C(=O)NNc2ccc(OC)cc2[N+](=O)[O-])CC1	799695764	PVROAXSRJMAALC-UHFFFAOYSA-N	309.322	1.863	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=C1CCOC[C@H]1C	794477517	CKVDCVRLHVAVMW-REWJHTLYSA-N	311.426	1.260	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)COc1ccc(C#N)cc1	792801094	LPWDAUMTZBKEOY-XHDPSFHLSA-N	319.361	1.146	50	20	DDGD	
Cn1cnc(C=NNC(=O)CCCNC(=O)OC(C)(C)C)c1	794525867	IGTXNQHIHOFPQQ-UHFFFAOYSA-N	309.370	1.175	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53	792777599	GNUFMYGYERHXIB-DIJRRZNFSA-N	304.390	1.936	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CNc2ccc(C#N)cc2)n1	794086755	WUXKRFPWTVFPBC-UHFFFAOYSA-N	309.329	1.135	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccnc(O)c2)c2ccccc2n1	799010824	RATYAJOBCRPXOK-UHFFFAOYSA-N	322.324	1.719	50	20	DDGD	
COCCC(=NNC(=O)N1CCN(C)CC1)c1ccc(F)cc1	790178606	DXLQEZFKDRQLPO-UHFFFAOYSA-N	322.384	1.523	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@@H]2Cc3ccc(F)cc32)cc1	793288527	HCDICZVSNUISDF-OAHLLOKOSA-N	309.300	1.798	50	20	DDGD	
Cc1nccc(C(=O)NNC(=O)c2cncn2-c2ccccc2)n1	1317913783	QLDGBOOPZADDRK-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccc(-c2ccccc2OC)cc1	1318912009	PIOCROWNYXBJPX-UHFFFAOYSA-N	312.325	1.985	50	20	DDGD	
O=C(NNC(=O)[C@@]1(F)CCOC1)c1cccc2ncccc12	1322901732	XPQKRGPOQMGNLB-OAHLLOKOSA-N	303.293	1.124	50	20	DDGD	
O=C(C#Cc1ccc(C(F)(F)F)cc1)NNc1cccnn1	1324512788	JKUPNOXJCBVXEO-UHFFFAOYSA-N	306.247	1.990	50	20	DDGD	
COC1(CNC(=O)NNC(=O)c2ccccc2Cl)CCC1	1325262756	VZEJPKHAGIWZBD-UHFFFAOYSA-N	311.769	1.853	50	20	DDGD	
CCc1ncc(NC(=O)C(=O)NNc2cccnc2Cl)cn1	1326089791	NRMJNHDXRNVCEQ-UHFFFAOYSA-N	320.740	1.169	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C(F)(F)c1c(F)cccc1F	1323025010	SJUJCKOUVCORAM-UHFFFAOYSA-N	323.315	1.960	50	20	DDGD	
O=C(CCSc1ccc(Cl)cc1)N1CC[C@H](B(O)O)C1	585070580	AJNWODJJATUELZ-JTQLQIEISA-N	313.615	1.898	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)c1cccc2cccnc12	1336316442	QLCVLDBYZPLOHY-GXTWGEPZSA-N	313.357	1.811	50	20	DDGD	
CCn1nc(NC(=O)C(=O)NNc2ccccn2)cc1C1CC1	1254582245	LJWBFZXZESFWJV-UHFFFAOYSA-N	314.349	1.257	50	20	DDGD	
C[C@@H]1CN(Cc2ccccc2)CC1=NNC(=O)c1cccnn1	1331983393	LXEVZQFWOCTUJZ-CYBMUJFWSA-N	309.373	1.714	50	20	DDGD	
NC(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCC(Cl)CC1	1348580011	HEVMLOOEBAYFFM-JXQTWKCFSA-N	308.809	1.997	50	20	DDGD	
CNC[C@H](C)CNC(=O)NNC(=O)c1cccc2cccnc12	1348554383	BTBRFTJUSOHUND-NSHDSACASA-N	315.377	1.034	50	20	DDGD	
COCc1nn(C)cc1C(=O)OC[C@]1(C)C[C@H]1Br	1345220699	TVIQPLXKHGDRQS-PWSUYJOCSA-N	317.183	1.897	50	20	DDGD	
COCC(=O)NCCC(=O)NNc1cc(F)cc(Cl)c1	1347846192	FZKIZARSZICWSM-UHFFFAOYSA-N	303.721	1.075	50	20	DDGD	
C[C@]1(COC(=O)CCCS(C)(=O)=O)C[C@@H]1Br	1263537559	TXUXWOFGARDRCL-WCBMZHEXSA-N	313.213	1.528	50	20	DDGD	
CC(C)CN(CC(=O)NN(C)C[C@@H](C)O)C(=O)OC(C)(C)C	1354059940	UYAOCQSNQNKXTO-GFCCVEGCSA-N	317.430	1.223	50	20	DDGD	
O=C(NCCNC(=O)C1CCC(Cl)CC1)c1cnccn1	1520312435	SPIUTPPDFKMJLZ-UHFFFAOYSA-N	310.785	1.120	50	20	DDGD	
Cc1c(NNC(=O)NC[C@H](C)N(C)C2CC2)cccc1C(=O)O	1600051855	XHWKMBZAVJASNB-JTQLQIEISA-N	320.393	1.802	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cnc(C3CC3)nc2)c(F)c1	1608904781	IYZPQQNKOHYMRD-UHFFFAOYSA-N	316.292	1.948	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2ccc(CC(=O)O)cc2)CCC1=O	1604648224	JLVBKRKCYCMBLI-ZYHUDNBSSA-N	304.346	1.762	50	20	DDGD	
O=C(Cc1ccco1)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1606604518	NNLWNYHOOFCUCZ-UHFFFAOYSA-N	318.724	1.799	50	20	DDGD	
Cc1nn(C)c(C(=O)NNc2cccc(C(=O)O)c2)c1[N+](=O)[O-]	1600768376	UYWRDWWAQDLGBL-UHFFFAOYSA-N	319.277	1.092	50	20	DDGD	
CCC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cl)CC	1800074004	GSNKKMDWTYQQKX-WRWGMCAJSA-N	314.813	1.621	50	20	DDGD	
O=C(O)Cc1cccc(NC(=O)NNc2ncccc2Cl)n1	1610794979	BFIYNEMDTRBSPG-UHFFFAOYSA-N	321.724	1.906	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)NCCN1CCNCC1	1579604394	NCXHRBBICJZBNU-UHFFFAOYSA-N	311.817	1.180	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@@](C(=O)NN)(c2ccccc2)C1	1575172034	IMRQKNNPTGLXLI-INIZCTEOSA-N	305.378	1.555	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)COc1ccc(CCCN)cc1	1575105976	DYZJFSZCHLRZSP-UHFFFAOYSA-N	307.394	1.150	50	20	DDGD	
COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)N	1573921543	JMXNMRYVJDVPKC-UHFFFAOYSA-N	313.335	1.196	50	20	DDGD	
C=C(CCC(=O)O)C(=O)NNC(=O)COc1ccc(C)c(C)c1	1588630449	LSSWMUALTONAFE-UHFFFAOYSA-N	320.345	1.251	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)C1(C#N)CCC1)C2	1845168681	SIWBWOOMDXWVDX-LBPRGKRZSA-N	323.824	1.901	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)CN(C)C)C1	1842678121	NNKMLNMGAIPLMT-GFCCVEGCSA-N	315.845	1.159	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=Cc2ccoc2C(=O)O)c1	1598335275	GCZBOIMBASPYPI-UHFFFAOYSA-N	301.302	1.808	50	20	DDGD	
CSSCCNC(=O)NCc1cccc(-c2nn[nH]n2)c1	1591701658	DEYGTBAWLGKAJX-UHFFFAOYSA-N	324.435	1.677	50	20	DDGD	
CN(C)N(C(=O)c1cscn1)c1nc(CC(=O)O)cs1	1598258027	YNEXYIRJPFFCOC-UHFFFAOYSA-N	312.376	1.350	50	20	DDGD	
CCO[C@@H]1COC[C@H]1NC(=O)NNc1cccc(C(=O)O)c1C	1596980438	CAJOEHPJAZLTGZ-CHWSQXEVSA-N	323.349	1.123	50	20	DDGD	
CN(CC(=O)NNC(=O)C(C)(C)C)c1ccccc1C(=O)O	1598396885	WCLUSKWPEWVSOV-UHFFFAOYSA-N	307.350	1.015	50	20	DDGD	
CN(C)C(=O)NN=Cc1cc(C(=O)O)ccc1Br	1776039792	GSPXLOXEYPTTCK-UHFFFAOYSA-N	314.139	1.752	50	20	DDGD	
O=C(NCC(F)(F)F)NN=Cc1cccc(F)c1C(=O)O	1776036413	IRCUIBMUSAPNAN-UHFFFAOYSA-N	307.203	1.719	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1cc(Cl)ncc1C(=O)O	1776082364	LZITWLTZPIALET-APPZFPTMSA-N	311.725	1.308	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2ccc(O)cc2F)cc1	1776100868	DPEAHMNHVLPTDP-UHFFFAOYSA-N	302.261	1.993	50	20	DDGD	
CCn1cnnc1SCC(=O)NNC(=O)c1ccc(C)cc1	18966736	XOHWYQQTXJYLLM-UHFFFAOYSA-N	319.390	1.160	50	20	DDGD	
CN(CCc1nccs1)C(=O)NNC(=O)c1ccccc1	163314706	VKJZTEBFCXPDLT-UHFFFAOYSA-N	304.375	1.672	50	20	DDGD	
CN1C(=O)c2ccc(C(=O)NNc3ccccc3F)cc2C1=O	153011212	ZXJIHWMHPQGHBX-UHFFFAOYSA-N	313.288	1.808	50	20	DDGD	
Cc1nc([C@H](C)NC(=O)c2c(C)nn(CCCl)c2C)no1	153437323	NVXNKZYLSJKJFA-QMMMGPOBSA-N	311.773	1.921	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(Cl)s1	156129011	AVRQHUNMINZJFE-UHFFFAOYSA-N	317.798	1.467	50	20	DDGD	
CS[C@@H](C)CNC(=O)NNC(=O)Cn1ccc2ccccc21	155665729	ZVKVARYUZBEBNT-NSHDSACASA-N	320.418	1.723	50	20	DDGD	
CCN(CC)CCSCC(=O)NNc1ncc(F)cn1	157736644	BQAMKXBONDXXPC-UHFFFAOYSA-N	301.391	1.134	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H](C)Cc1ccccc1F	157241707	RTDHZASVWBDWCQ-NSHDSACASA-N	311.357	1.371	50	20	DDGD	
CC(C)(C)OC(=O)NNS(=O)(=O)c1cccc(F)c1F	154816103	JNCGJJHOUHMZIH-UHFFFAOYSA-N	308.306	1.683	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)o1	175825269	TZYBUSUHIUFEKQ-UHFFFAOYSA-N	319.273	1.336	50	20	DDGD	
O=C(/C=C/C1CCOCC1)NNC(=O)CCc1ccccc1	112174387	OYFMNLYDWQNBJL-VQHVLOKHSA-N	302.374	1.749	50	20	DDGD	
CCCCO[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc[nH]2)C1(C)C	175915365	UMAFEHGJBUITKD-STQMWFEESA-N	322.409	1.943	50	20	DDGD	
COC(=O)[C@H](NNC(=O)c1ccccc1)c1ccc(F)cc1	117934152	IWCFYQLPKTWIAW-CQSZACIVSA-N	302.305	1.974	50	20	DDGD	
CC1(C)C(C(=O)NNc2nccc(N3CCOCC3)n2)C1(C)C	177660278	GNAJLTCEKQDQGX-UHFFFAOYSA-N	319.409	1.439	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cncc(Br)c1	179931282	IGUDXALSMABZFG-UHFFFAOYSA-N	303.116	1.627	50	20	DDGD	
C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NNC(=O)OCC	55200971	DQSAKVUWZCVFHE-SNVBAGLBSA-N	303.318	1.279	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H](C)CN2CCCCC2)nn1	106334079	YZTOOJFHNQLVIC-GFCCVEGCSA-N	306.414	1.533	50	20	DDGD	
COc1cc(OC)c(OC)cc1/C=C(\C#N)C(N)=C(C#N)C#N	119884798	LJICBBGEWYWLJQ-NYYWCZLTSA-N	310.313	1.879	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2ccc(Cl)nc2)n1	175337560	SJHCHGGXJMKZOR-UHFFFAOYSA-N	322.756	1.668	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1ccccc1F	67127056	AXZODZHZZMOVMV-UHFFFAOYSA-N	311.313	1.111	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccnc2Cl)c(O)c1	60396893	ZTXSNXQFQNMCJT-UHFFFAOYSA-N	305.721	1.824	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccc(N2CCCCCC2)nc1	29754850	NLFDEQFNUBQUHU-UHFFFAOYSA-N	302.378	1.633	50	20	DDGD	
CCC[C@@H](C)CC(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12	125734103	VVVDBKRROANUGU-SNVBAGLBSA-N	316.361	1.510	50	20	DDGD	
CC[C@@H](OC1CCCC1)C(=O)NNc1ncnc2nc[nH]c12	173940408	KSOYXPMBCGQZDE-SNVBAGLBSA-N	304.354	1.534	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cc2ccccc2cc1O	32742870	PSXZDLDZKNULIZ-AWEZNQCLSA-N	300.314	1.485	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ncoc2C)c1C	129128348	SSVWMOYRNQYYIS-LBPRGKRZSA-N	317.345	1.828	50	20	DDGD	
CCCCC[C@H](CC)C(=O)NNC(=O)C(=O)Nc1ccccn1	181272919	AATJNMYDLSIIBR-LBPRGKRZSA-N	320.393	1.774	50	20	DDGD	
C[C@H]1CCCN(CCCCNC(=O)NNC(=O)c2ccc[nH]2)C1	128797836	LWGMIEQSIAAYLL-ZDUSSCGKSA-N	321.425	1.471	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)Cc2ccc(-n3cnnn3)cc2)c1	120975539	GBFLONNACBAMPB-UHFFFAOYSA-N	322.372	1.965	50	20	DDGD	
C[C@@H]1CCCCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1	187918957	SCBXIXCQSHYLRK-GFCCVEGCSA-N	307.369	1.709	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1nncn1-c1ccccc1	121239801	LTPWXOYIQPLLLU-UHFFFAOYSA-N	316.365	1.144	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccc(C)o2)c(C)n1	186624274	XCSTYWNNILQVTF-UHFFFAOYSA-N	304.306	1.767	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccnc(Cl)c2F)nc1	129068183	PQWGRNBBEOIJDT-UHFFFAOYSA-N	324.699	1.813	50	20	DDGD	
CCN(CC)C1CCN(S(=O)(=O)CBr)CC1	127215826	VTMLOFDQESGWGA-UHFFFAOYSA-N	313.261	1.475	50	20	DDGD	
COc1ccc(-n2nc(C(=O)NNC(=O)N(C)C)cc2C)cc1	180066151	NZAOHQVSEZRRKT-UHFFFAOYSA-N	317.349	1.105	50	20	DDGD	
O=C(C[C@H]1CCCO1)NNc1nnc(-c2ccccn2)s1	188185073	ICEQZXGZKFISJU-SECBINFHSA-N	305.363	1.612	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2C)[nH]n1	186280147	CNOOMVNWONFLCP-UHFFFAOYSA-N	324.344	1.287	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cccc(N(C)C)c1)C1CCC1	130111105	RHSRGBKRRNMFDJ-NSHDSACASA-N	304.394	1.885	50	20	DDGD	
COc1nccnc1NNC(=O)c1cccc(OC(F)F)c1	131879023	RQOHBXJNKOHXRX-UHFFFAOYSA-N	310.260	1.844	50	20	DDGD	
CCc1ccc(CNC(=O)NNC(=O)Cc2ccncc2)s1	83180598	HYSYOXZQQSMINB-UHFFFAOYSA-N	318.402	1.779	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2snnc2C)n1	190565761	VZIBOUAEOVUVQU-UHFFFAOYSA-N	307.383	1.240	50	20	DDGD	
COc1ccc(C(=O)CCC(=O)NNc2cccnn2)cc1F	81784992	GDLOHHYXUCRECM-UHFFFAOYSA-N	318.308	1.731	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccc(-n2ccnn2)cc1	89865998	YQTFPECURRTSCD-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCSc1ccccc1F	190074170	HJKYFSWAWRSNGX-UHFFFAOYSA-N	300.355	1.226	50	20	DDGD	
O=C(NNC(=O)c1csc([N+](=O)[O-])c1)NC1CCCCC1	192722905	OAZSLPHJVYZQSU-UHFFFAOYSA-N	312.351	1.933	50	20	DDGD	
Cc1c([C@@H](C)NC(=O)NNc2cncc(Cl)n2)cnn1C	194253074	FCEGMZFBOHJCRF-SSDOTTSWSA-N	309.761	1.559	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNC(=O)c1c[nH]c2ccccc12	92216052	YJIRUUDBKDBZGJ-UHFFFAOYSA-N	311.345	1.539	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)n1	249518817	JBUUZQSWFFBMHC-NJMOYASZSA-N	317.393	1.936	50	20	DDGD	
O=C(NN=Cc1ccccc1F)c1ccc(-n2cnnn2)cc1	254494660	XWYBRLWGMMEJRT-UHFFFAOYSA-N	310.292	1.565	50	20	DDGD	
CO[C@@H](C)CCNC(=O)NNC(=O)CCCc1ccccc1	263957298	OCZPINKMEOUGRA-ZDUSSCGKSA-N	307.394	1.765	50	20	DDGD	
Cc1nnc(-c2ccc(C(=O)NNC(=O)NC(C)C)cc2)o1	266901946	ZMKWXFNUUPKZBK-UHFFFAOYSA-N	303.322	1.397	50	20	DDGD	
O=C(NCCc1cccc2cccnc12)NNC(=O)C1CCC1	264742920	PJTGTHQBDKILEF-UHFFFAOYSA-N	312.373	1.908	50	20	DDGD	
CN1CCC[C@H]1C(=O)NNC(=O)c1c(Cl)cccc1Cl	263921402	FSKFKGKCKJRPAT-JTQLQIEISA-N	316.188	1.849	50	20	DDGD	
Cc1nc(NC(=O)NNC(=O)CCc2ccccc2O)oc1C	264353258	DKESGVMPWDHMBB-UHFFFAOYSA-N	318.333	1.783	50	20	DDGD	
N#CCOc1ccc(CNC(=O)NNC(=O)C2CCC2)cc1	264748711	QTVVIEDFOXRCIR-UHFFFAOYSA-N	302.334	1.219	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H](C)[C@H]2CCOC2)cc1	266850115	WXXVCRMOAINIOY-STQMWFEESA-N	321.377	1.129	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C(C)(C)NC(=O)OC)cc1	264203470	SEVBHOBDJVUIMP-UHFFFAOYSA-N	307.350	1.145	50	20	DDGD	
COCCC1(C(=O)NNC(=O)COc2ccccc2F)CC1	269424857	LZTWXTDBZMKUQJ-UHFFFAOYSA-N	310.325	1.169	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc(C(=O)NC2CC2)cc1	270149155	USHWOBTWTUESJB-UHFFFAOYSA-N	319.361	1.748	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1ccccc1Cl	274191680	FKWFNRXTCUVJJA-UHFFFAOYSA-N	313.741	1.834	50	20	DDGD	
CCOC1CC(O)(CNC(=O)/C(C#N)=C\c2ccc(F)cc2)C1	277782939	RXSKKIMIJAXMAF-QPEQYQDCSA-N	318.348	1.779	50	20	DDGD	
CC[C@@]1(C)CN(C(=O)NNC(=O)c2ccccc2C)CCO1	276959846	RTQVYISMZRCARY-INIZCTEOSA-N	305.378	1.850	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C[C@@H](C)SC	270143528	RZKDYVXZGJAVIM-SNVBAGLBSA-N	312.391	1.363	50	20	DDGD	
C=CCOCCCC(=O)NNc1ncc(C(=O)OCC)c(C)n1	272180731	LNCPXCNJNGWRNF-UHFFFAOYSA-N	322.365	1.388	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1cc(C2CC2)on1	377602183	OWZPBYBMXZGAOZ-UHFFFAOYSA-N	312.289	1.754	50	20	DDGD	
CSSCCNC(=O)[C@@H]1CC(C(=O)OC(C)(C)C)=NO1	285863155	ZFFRHCCVSVJZOK-VIFPVBQESA-N	320.436	1.600	50	20	DDGD	
O=C(C[C@@H]1CCCC(=O)N1)NNC(=O)c1cc2ccccc2o1	289806051	QVBUOWFBVPJGIO-NSHDSACASA-N	315.329	1.253	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H](C)C2CCOCC2)n1	280825053	JBPPFOSKOOMJRB-LLVKDONJSA-N	306.366	1.149	50	20	DDGD	
C[C@@H](O)c1ccc(CNC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	297819095	XJGAKPOOFADQNR-RISCZKNCSA-N	321.377	1.139	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ncoc2C2CC2)c1O	294970167	XIQDVOYMJIFVLP-UHFFFAOYSA-N	317.301	1.341	50	20	DDGD	
Cc1cc(C)cc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c1	298127691	WYOXHZDPNKDYBR-CQSZACIVSA-N	310.419	1.409	50	20	DDGD	
O=C(NNc1ncccc1F)[C@H]1CC(c2ccccc2)=NO1	804211199	IFCZTAOHOSFPDD-CYBMUJFWSA-N	300.293	1.857	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1CNC(=O)NNC(=O)c1cnn(C)c1	297890975	RRGYWIXUBAFHNZ-VXGBXAGGSA-N	307.398	1.581	50	20	DDGD	
O=C(Cn1cc(Cl)cn1)NNc1ccc(C(F)(F)F)nn1	807155613	VILRRCVNZDWREP-UHFFFAOYSA-N	320.662	1.489	50	20	DDGD	
O=C1CCC[C@H](C(=O)NNc2cc(C(F)(F)F)ccn2)N1	295389871	QJPAYRGMMQRNMV-MRVPVSSYSA-N	302.256	1.212	50	20	DDGD	
C[C@H](C(=O)NNC(=O)N=c1cc[nH]cc1)c1cccc(F)c1	802036648	YYHTXJNGQKWWPP-JTQLQIEISA-N	302.309	1.599	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@@H]1CCN(c2ccccc2Cl)C1	290545877	PQACUWRIKQZTCR-SNVBAGLBSA-N	310.785	1.469	50	20	DDGD	
CCCCN(C)C[C@@H](C)NC(=O)NNC(=O)Cc1cccnc1	290777209	MSWZBGICFITJLC-CYBMUJFWSA-N	321.425	1.075	50	20	DDGD	
CCOc1cccc(C(=O)NNC(=O)N=c2cc[nH]cc2)c1	802031357	GMOZRIOCPASTQE-UHFFFAOYSA-N	300.318	1.369	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(-c2ccccc2)no1	295618294	RHWJFELNAVHNTB-ZDUSSCGKSA-N	315.329	1.672	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1cn(C(C)C)nn1	807964951	CPAKHPCHYZFDDK-UHFFFAOYSA-N	301.350	1.560	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNc2ccc(-n3ccnc3)nn2)CCC1=O	804953244	IKOJBSDFSQUWQP-WDEREUQCSA-N	314.349	1.111	50	20	DDGD	
COCCN(C)NC(=O)[C@@](C)(O)CSc1cccc(F)c1	297013664	HQZVWMMLJVEQIN-AWEZNQCLSA-N	316.398	1.278	50	20	DDGD	
Cc1cc(C)nc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1	801082501	XOFHQCWXGMYSPB-UHFFFAOYSA-N	313.313	1.502	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=Cc2c(C)nn(C)c2N)c1	814738355	YXGQRVHGSWWFIP-UHFFFAOYSA-N	317.349	1.092	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccccc2O)c(C2CCC2)n1	819819499	AEYOLCBFVGCGSI-UHFFFAOYSA-N	314.345	1.468	50	20	DDGD	
Cc1ccc(F)c2c1C(=NNC(=O)N=c1cc[nH]cc1)C(=O)N2	815004053	WAOVULVTHPXEOM-UHFFFAOYSA-N	313.292	1.429	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CC[C@H]2CNc3cccc1c32	814865683	WHQWPFLNCGJTOG-RYUDHWBXSA-N	317.389	1.861	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)c1c[nH]c2ccccc12	812452821	LZGAFUMGOUXWKZ-QWRGUYRKSA-N	303.362	1.848	50	20	DDGD	
O=C1CCCCC[C@H](C(=O)NNC(=O)N=c2cc[nH]cc2)C1	813574389	WFTCJQLJTGEPSV-NSHDSACASA-N	304.350	1.196	50	20	DDGD	
Cc1ccnn1-c1ccc(C(=O)NNc2ncncc2F)cc1	817080480	QAPMFAUKMSDFSJ-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=Cc1n[nH]cc1C	814723316	NUIUIYOQZKGKTP-UHFFFAOYSA-N	302.334	1.646	50	20	DDGD	
CC(Cn1cccn1)=NNC(=O)c1cnn(-c2ccccc2)c1	814848896	XWUKGQCCBFBOAR-UHFFFAOYSA-N	308.345	1.875	50	20	DDGD	
O=C(NCc1ccc(C(=O)O)cc1)NNC(=O)c1ccoc1	819194834	LTFSLGSSIRKEND-UHFFFAOYSA-N	303.274	1.122	50	20	DDGD	
Cc1cc(Br)ccc1CC(=O)NN(C)[C@H](C)CO	823939341	JGDPRGBRLUKZNZ-SNVBAGLBSA-N	315.211	1.644	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCl)c1ccc(N2CCNC2=O)cc1	827965374	ZAMHNJXTNOZGHT-SECBINFHSA-N	317.798	1.393	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H](O)c1ccccc1	826447573	LVUOZQUTCFHRSU-ZDUSSCGKSA-N	310.317	1.043	50	20	DDGD	
Cc1ccc(CN(C)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1C	827258726	DGRDRAZPEBKJQG-UKRRQHHQSA-N	319.405	1.901	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)COc1ccc(Cl)c(Cl)c1	823977023	MORIMVVEKXGIFV-MRVPVSSYSA-N	307.177	1.716	50	20	DDGD	
CCC(=O)[C@H]1CCCCN1C(=O)/C(C#N)=C/c1cnn(C)c1	491104271	NHRMZSZAWVMVCA-MAUPQMMJSA-N	300.362	1.687	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(C(=O)NNC(=O)C2CCCC2)C1	495156661	RALMYKDMFFZRBB-UHFFFAOYSA-N	311.382	1.191	50	20	DDGD	
COCC[C@@](C)(O)CNC(=O)/C(C#N)=C/c1ccc(O)cc1	491013834	VNMYIFFWJFDMLE-LRFDDAOPSA-N	304.346	1.203	50	20	DDGD	
CC(C)c1cc(NC(=O)NN(C)C2CC2)n(-c2ncccn2)n1	824293696	ADSIOOZGUFDVTN-UHFFFAOYSA-N	315.381	1.916	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1F	495408722	UBDBYFPPOMBTME-UHFFFAOYSA-N	303.677	1.195	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@@H]2CSC[C@@H]2C)cc(C#N)n1C	490942485	OKDCQPKTQVTGOJ-XNFBDOEQSA-N	314.414	1.980	50	20	DDGD	
CCCN(NC(=O)c1cn(C)c(C)cc1=O)C(=O)OC(C)(C)C	495694461	BZUSGJLXFNDTSL-UHFFFAOYSA-N	323.393	1.986	50	20	DDGD	
CN(CCCNCc1ccc(B(O)O)cc1)c1ccc(F)cc1	585016908	DIUPVZTUCRXOQR-UHFFFAOYSA-N	316.185	1.122	50	20	DDGD	
CCS[C@H](c1nc(-c2ccc(B(O)O)cc2)no1)C(C)C	585051196	XMFLHIFEWGGBGC-LBPRGKRZSA-N	306.196	1.867	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NNC(=O)C1CC1	496118292	ADUZPHSHWUNUTE-SNVBAGLBSA-N	313.398	1.579	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cc(C(F)(F)F)nn1C	826135533	LSYKNNFDFSAYOD-LURJTMIESA-N	307.276	1.638	50	20	DDGD	
COCC(C)(C)CCCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C	826798189	QMAOYSXRKNRVMB-RYUDHWBXSA-N	315.414	1.195	50	20	DDGD	
C[C@@H]1CC(c2nc(-c3cccc(B(O)O)c3)no2)C[C@@H](C)O1	585053774	PWKLUJNVUSQFKN-NXEZZACHSA-N	302.139	1.087	50	20	DDGD	
CN(CCCN1CCCC1)C(=O)/C(C#N)=C\c1cnn(C)c1	491129867	HVBXDIWEQFLLOG-GDNBJRDFSA-N	301.394	1.271	50	20	DDGD	
CCCC(=O)N1CCC[C@@H](C(=O)NNC(=O)OC(C)(C)C)C1	490809420	VFTDDNLZUILCSN-LLVKDONJSA-N	313.398	1.581	50	20	DDGD	
CCOc1ccccc1C(F)(F)C(=O)NN(C)C(=O)OC	496912459	UUCVQNFHGDLVLR-UHFFFAOYSA-N	302.277	1.907	50	20	DDGD	
Cc1cccc(C(C)(C)CNC(=O)c2cccc(B(O)O)c2)c1	584939543	NSXWCRJWTVKSSN-UHFFFAOYSA-N	311.190	1.382	50	20	DDGD	
OB(O)c1cccc(CNCc2cc3c(s2)CCCCC3)c1	585020860	KSNOVOOSIVURCD-UHFFFAOYSA-N	315.247	1.987	50	20	DDGD	
Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[C@H](B(O)O)C1	585068509	CRCSBUKIACBWKZ-QMMMGPOBSA-N	302.061	1.098	50	20	DDGD	
O=C(N1CC[C@@H](B(O)O)C1)C(F)(F)c1cccc(Cl)c1	585072900	SXZAAZXAVAHFDK-SECBINFHSA-N	303.501	1.507	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CC(C)(C)NC(=O)OC(C)(C)C	739689937	QVBDVFIBXFJOIT-UHFFFAOYSA-N	315.414	1.873	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NC[C@H](C)C(=O)O)cc1	737194780	JPUZRENKQPLFBN-LFTLCWSBSA-N	302.330	1.829	50	20	DDGD	
CC(C)[C@H](c1cccnc1)N(C)C(=O)c1ccc(B(O)O)cc1	584942276	FOCMNMZBBUBBGH-MRXNPFEDSA-N	312.178	1.231	50	20	DDGD	
CCCOc1ccc(NC(=O)C(=O)NNC(=O)OCC)c(C)c1	495326404	KPFDAMIGCYPVOX-UHFFFAOYSA-N	323.349	1.500	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1scnc1C	495635840	AEFVDLLRCAFFCE-UHFFFAOYSA-N	312.395	1.816	50	20	DDGD	
COC(=O)N(C)NC(=O)c1nc2ccccc2nc1C1CC1	497103861	ZJUWXXIRJIQPRH-UHFFFAOYSA-N	300.318	1.850	50	20	DDGD	
CCCc1[nH]nc(C(=O)NNC(=O)C2CCCC2)c1[N+](=O)[O-]	731785338	ZLCPHUZRMSURFL-UHFFFAOYSA-N	309.326	1.222	50	20	DDGD	
CCOCC(=O)NN=Cc1c(C)nn(-c2ccccc2)c1C	731154020	PNUJHUUOOXZPIB-UHFFFAOYSA-N	300.362	1.976	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)C[C@@H]1C[C@H]2CC[C@H]1O2	836774960	WYKMZSLDPFLHPI-RRFJBIMHSA-N	302.374	1.643	50	20	DDGD	
COCCn1cc(NC(=O)[C@@]2(C)C[C@@H]2Br)cn1	906259631	DRYLXAWLIVBMFT-ONGXEEELSA-N	302.172	1.642	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn(C)c2)cc1-n1cccc1	735444673	OIZHJYAUNNTVRR-UHFFFAOYSA-N	323.356	1.594	50	20	DDGD	
C[C@@H]1CCCCN1CCCCNCc1ccc(B(O)O)cc1F	585015719	KTMQWMXYKWRAFQ-CQSZACIVSA-N	322.233	1.250	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNC(=O)C(C)(C)c1ccccc1)C(C)C	731178533	YQKPFPZUWVCUQE-AWEZNQCLSA-N	319.405	1.272	50	20	DDGD	
CN(C)c1cccnc1C(=O)NNc1nccnc1C1CCC1	908196755	MMWPVXGIKWGVSG-UHFFFAOYSA-N	312.377	1.962	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NNC(=O)C1CCCC1	733918913	VWJQELKRPGTYJV-UHFFFAOYSA-N	312.801	1.690	50	20	DDGD	
C[C@H](N)C[C@@H](C)NC(=O)NNC(=O)c1cc2c(s1)CCC2	831197957	WUCMVQRGYYMJOQ-DTWKUNHWSA-N	310.423	1.307	50	20	DDGD	
CO[C@H]1CC(=NNC(=O)CNC(=O)c2cccs2)C12CCC2	834952048	KECVGYXDJVFABD-LBPRGKRZSA-N	321.402	1.539	50	20	DDGD	
COc1nccc(C=NNC(=O)COc2ccc(C)c(C)c2)n1	834922989	SVETVUUGSSQTGE-UHFFFAOYSA-N	314.345	1.631	50	20	DDGD	
CCc1c(C(=O)NNC(=O)CCc2ccccc2O)cnn1C	730032979	QBBJEXANBLZFBF-UHFFFAOYSA-N	316.361	1.082	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1cccc(Cl)c1Cl	731284297	OOPBWCCMPQEOKQ-UHFFFAOYSA-N	320.176	1.860	50	20	DDGD	
C[C@H]1CC(C)(C)CN1CC(=O)NNC(=O)c1cccc(C#N)c1	839657935	IMLATMSJXOCKDL-LBPRGKRZSA-N	314.389	1.440	50	20	DDGD	
COCCN(C)CCNC(=O)NNc1ccc(F)c(F)c1	916331991	PKKRELBLIZHPPI-UHFFFAOYSA-N	302.325	1.169	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCOC[C@H]1C1CCC1	830219215	LELYHHRXKLBAGF-JSGCOSHPSA-N	311.426	1.069	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccncn1)c1nc(C(C)(C)C)no1	836428067	DEYRVDDHVDRYSL-MRVPVSSYSA-N	305.342	1.544	50	20	DDGD	
CC[C@H](C)[C@H](C=NNC(=O)c1cncc(NC(C)=O)c1)OC	834964404	CEMLQLWMUBNFRV-HZMBPMFUSA-N	306.366	1.817	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)C(=O)NC2CC2)C1	912579818	ICAOSRIPYDPYCJ-GFCCVEGCSA-N	312.486	1.888	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1n[nH]c(C2CC2)c1Br	910168651	PSQNODURAPLFIV-LURJTMIESA-N	317.187	1.007	50	20	DDGD	
O=C(NNc1ccccc1OC(F)(F)F)N[C@H]1CCCNC1	841945009	TVNKPRRKXQBDHN-VIFPVBQESA-N	318.299	1.963	50	20	DDGD	
CC(C)c1ccccc1C=NNC(=O)Cc1cc(O)nc(O)n1	848406987	UQRHTGPZPBZACS-UHFFFAOYSA-N	314.345	1.704	50	20	DDGD	
Cc1c[nH]cc1C(=O)NNC(=O)c1nnc(O)c2ccccc12	916720398	SRKWLVXXOZRBCP-UHFFFAOYSA-N	311.301	1.047	50	20	DDGD	
CN1CC[C@@H]2CN(C(=O)[C@@]3(C)C[C@H]3Br)C[C@@H]2C1	911829787	ZKEHQZNCRCVFKL-XZUYRWCXSA-N	301.228	1.570	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)[C@@H](C)[C@@H](C)S(C)(=O)=O	841422940	SIJPMUYUVZISRU-VHSXEESVSA-N	302.371	1.646	50	20	DDGD	
CN1CCO[C@@H](C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])C1	746128819	LIFHUUVXZOBAAL-LLVKDONJSA-N	314.729	1.022	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc(N2CCC(O)CC2)cc1	746248602	VORUTRQSZFISNN-UHFFFAOYSA-N	317.389	1.209	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@H]1CCN(CC(F)F)C1	841572842	SENYVLBBHHDYFK-VIFPVBQESA-N	304.790	1.264	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(-c2ccc(OC)cc2)[nH]n1	916526319	ADYBKDZPKWTUTG-UHFFFAOYSA-N	303.322	1.049	50	20	DDGD	
CCNCc1cccc(NC(=O)NNC(=O)[C@H]2CCCCO2)c1	841310301	LPZNPZQZBCSFMY-CQSZACIVSA-N	320.393	1.518	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=C1CCCn2ccnc21	848401101	UFGDZNDLCILANE-UHFFFAOYSA-N	308.345	1.767	50	20	DDGD	
CO[C@H](C=NNC(=O)[C@@H]1COc2ccccc2O1)CC(C)C	841604014	JZHFCKPCXSBLCM-WFASDCNBSA-N	306.362	1.990	50	20	DDGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)[C@@]1(O)CCOC1	840407179	KDXFDHIJPAPYAT-LLVKDONJSA-N	309.124	1.727	50	20	DDGD	
NC1CCC(NC(=O)NNC(=O)c2cccc(Cl)c2)CC1	841945478	NCWMCYRHIGGKJB-UHFFFAOYSA-N	310.785	1.554	50	20	DDGD	
Cc1ccsc1CCCC(=O)NNC(=O)c1ncccn1	841350983	XOSBJCLHXNZWSK-UHFFFAOYSA-N	304.375	1.630	50	20	DDGD	
O=C(Cn1nnc2c1CCCC2)NNc1cnc2ccccc2n1	847738340	MOEROVMAGGEQTO-UHFFFAOYSA-N	323.360	1.243	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)[C@@H]1Cc2ccccc21	741945606	GNTYTGUKGXONLY-MRXNPFEDSA-N	310.353	1.691	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)N1CC(F)C1	841585629	DGHODLQYJRCUHS-MRVPVSSYSA-N	315.732	1.502	50	20	DDGD	
Cc1[nH]c2ccccc2c1CC(=O)NNC(=O)[C@H]1CCO[C@H]1C	843640258	BELPVJWQRSBTLO-RYUDHWBXSA-N	315.373	1.591	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2cccc([N+](=O)[O-])c2)CCN1C	745859164	YGEJTZYEQRXEIY-MNOVXSKESA-N	307.354	1.704	50	20	DDGD	
O=C(C[C@@H]1Oc2ccccc2NC1=O)NNC(=O)C1CCCC1	914843277	IDGNMSBTEYRJMB-ZDUSSCGKSA-N	317.345	1.114	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CNC(=O)c1cccs1)C1CCCC1	749367454	VZJAXXNPUVWBCF-JTQLQIEISA-N	323.418	1.452	50	20	DDGD	
Cc1nc(-c2ccccc2)[nH]c1C(=O)NNC(=O)c1cccn1C	916160422	KYKFIBNUPHSFEJ-UHFFFAOYSA-N	323.356	1.798	50	20	DDGD	
NC(=O)COc1ccc(C=NNC(=O)CC2CCCC2)cc1	749449842	MZHUBXRNVFUSHL-UHFFFAOYSA-N	303.362	1.581	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)C1(n2cnnn2)CCCCC1	845923144	KSPZZCXPTJULBT-UHFFFAOYSA-N	321.772	1.524	50	20	DDGD	
O=C1[C@H](NS(=O)(=O)CCCCCl)C[C@H]2CCCCN12	841532622	VIYCQZBLUGHJCS-GHMZBOCLSA-N	308.831	1.078	50	20	DDGD	
Cc1[nH]c2c(C(=O)NNc3nccn(C)c3=O)cccc2c1C	747938163	KZWMQYVTWKQZCX-UHFFFAOYSA-N	311.345	1.635	50	20	DDGD	
CC(C)NC(=O)NNC(=O)Cc1ccn(-c2ccc(F)cc2)n1	742056945	MOUAXNKTJFTDRV-UHFFFAOYSA-N	319.340	1.293	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)CCc2ccccc2)CCCNC1	841970736	PMCMOYZHYMMYLH-QGZVFWFLSA-N	318.421	1.339	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cn3ccccc3n2)n1	748338505	FPUWXZWXXTVPQU-UHFFFAOYSA-N	302.725	1.843	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CCC2(C)CC2)cc1C	929382324	VZXVCMZPCTZVIN-UHFFFAOYSA-N	317.389	1.970	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)c2cnccn2)c(C)c1	756107462	ARDRSQZFCAVQSJ-UHFFFAOYSA-N	315.333	1.650	50	20	DDGD	
CC(C)(F)CCNC(=O)NNc1ccccc1S(C)(=O)=O	852552350	RSINULWAIKNRHP-UHFFFAOYSA-N	317.386	1.854	50	20	DDGD	
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NNC(=O)C(C)C)C1	750295965	FHDNNCFYLKRCCE-JHTDMNASSA-N	303.428	1.053	50	20	DDGD	
O=C(NNC(=O)[C@@H]1SCCc2sccc21)c1cc[nH]n1	855357685	PBKHYVRRPBTEJJ-SNVBAGLBSA-N	308.388	1.263	50	20	DDGD	
CC1CC(C#N)(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)C1	758158919	SNQPCSOHXIGYRY-CSJGVYOVSA-N	319.336	1.680	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccc([N+](=O)[O-])cc1F)N1CCCC1=O	855622798	LUWOEVQGSNSMRO-LBPRGKRZSA-N	324.312	1.578	50	20	DDGD	
Cc1ccc(C(=O)C(=O)NNC(=O)OCC(F)(F)F)cc1	856024839	DIAPKNMFOHSQSX-UHFFFAOYSA-N	304.224	1.497	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)Cn1ccc2ccccc21	755292784	PXYPFGRXSSCPRE-GFCCVEGCSA-N	303.362	1.461	50	20	DDGD	
CN(C)C1(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)CC1	854196257	SXIKMDVALLPYCA-UHFFFAOYSA-N	305.422	1.444	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNC(=S)Nc1cc(C)ccc1C	758909131	LQDOLCCICKJBIG-NSHDSACASA-N	323.418	1.820	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)COC[C@H]2CCCO2)c1C	855627017	DTVZHNKNBWPUGX-GFCCVEGCSA-N	322.361	1.420	50	20	DDGD	
CC(C)OCCS(=O)(=O)NC[C@]1(C)C[C@H]1Br	856753932	AIQCDKFZMJSYCT-ZJUUUORDSA-N	314.245	1.504	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccc(CC#N)cc1	759775682	BHDWFCWICAAPFM-UHFFFAOYSA-N	323.352	1.765	50	20	DDGD	
COC[C@H](C)CNC(=O)NNc1cccc(C(=O)OC)c1C	853762900	COJYGEYDFICULG-SNVBAGLBSA-N	309.366	1.690	50	20	DDGD	
Cn1nc(C(F)(F)F)cc1/C=C(/C#N)S(=O)(=O)NC1CC1	853007345	URAVROTYWJPNTQ-WTKPLQERSA-N	320.296	1.385	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@H]1CCn2ccnc2C1	854008076	XXSGJCQWFHQGKY-LBPRGKRZSA-N	303.341	1.972	50	20	DDGD	
C[C@H]1COC[C@H]1NC(=O)NNC(=O)c1cccc2ncccc12	926002876	DNXYWFFRIKCMOU-IINYFYTJSA-N	314.345	1.214	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCCCNC(=O)C(C)C	756050298	KGYHSYIGPDFYEZ-UHFFFAOYSA-N	320.393	1.101	50	20	DDGD	
CN1CCC[C@H](c2cccc(C(=O)NNc3nc[nH]n3)c2)C1	857261589	SKBQEQIAWQSXOF-ZDUSSCGKSA-N	300.366	1.371	50	20	DDGD	
Nc1ccc([N+](=O)[O-])cc1C(=O)NNC(=S)NCC1CCC1	855089354	NKOTVEQVYGWUIF-UHFFFAOYSA-N	323.378	1.086	50	20	DDGD	
COC(=O)N1CCC(C(=O)NNc2ccnc(Cl)c2)CC1	855462167	PKVJCOAJKMYCGU-UHFFFAOYSA-N	312.757	1.657	50	20	DDGD	
Cc1cc(C=NNC(=O)c2cc[nH]n2)c(C)n1C[C@H]1CCCO1	853392495	NHANUKDZDTUCSX-CQSZACIVSA-N	315.377	1.771	50	20	DDGD	
CCCN(NC(=O)c1nc2ncccn2n1)C(=O)OC(C)(C)C	854432777	VSFGHUHUPQPXDP-UHFFFAOYSA-N	320.353	1.416	50	20	DDGD	
O=C(CCOCC(F)(F)F)NNC(=S)NCC1CCC1	855091732	BUXVEYNSRCIFSD-UHFFFAOYSA-N	313.345	1.251	50	20	DDGD	
C[C@]1(CNC(=O)C[C@@H]2CSCCN2)C[C@@H]1Br	857007438	LMDUMKMDMDCCGX-WCABBAIRSA-N	307.257	1.371	50	20	DDGD	
C[C@@H]1Cc2ccccc2C1=NNC(=O)CNC(=O)c1ccco1	751132930	JOSVCQRXOKVXMG-LLVKDONJSA-N	311.341	1.722	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cnn(C2CCC2)c1	932429337	LLXKCVULTDQWFM-UHFFFAOYSA-N	314.345	1.692	50	20	DDGD	
CC[C@H](C)CC[C@H](O)CC(=O)NNC(=O)OCC(F)(F)F	856020392	FTIDMGPQULYRSR-IUCAKERBSA-N	314.304	1.883	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccccc1SC(F)(F)F	756056512	PQPKLLLMKJCAIS-UHFFFAOYSA-N	309.269	1.444	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)Cc2cccnc2)cc2n[nH]cc12	757817668	ISQZPMZPSNHHFO-UHFFFAOYSA-N	324.344	1.662	50	20	DDGD	
CCCCC1CCC(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1	858695090	VDZKGGBSYHLJIM-BPCQOVAHSA-N	324.425	1.344	50	20	DDGD	
O=C(CO)NNC(=O)c1cc2c(s1)-c1ccccc1OC2	753438619	OVOHVKMBWXIMDX-UHFFFAOYSA-N	304.327	1.061	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C[C@H](C)c1ccco1	858163538	GELXPHXQRMCUPB-NSHDSACASA-N	313.423	1.647	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc2c(c1)OCCCO2	755451459	CEJTWQNTULJXBO-UHFFFAOYSA-N	309.322	1.037	50	20	DDGD	
O=C(CC[C@@H]1CCOC1)NNC(=O)COc1ccccc1F	751297266	KZPSTBSUDZMSAG-LLVKDONJSA-N	310.325	1.169	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1nn(-c2ccc(F)cc2)cc1O	752788051	AEQSRRDNGLQGRM-UHFFFAOYSA-N	306.297	1.134	50	20	DDGD	
CC(=NNC(=O)CS(C)(=O)=O)c1cccc(Cl)c1Cl	863189893	WRQGYCJHFQPLDF-UHFFFAOYSA-N	323.201	1.878	50	20	DDGD	
CC[C@H](C)[C@H](C(=O)NNC(=O)COCCOC)c1ccccc1	869909654	FBNLBFTUPMSIOO-BBRMVZONSA-N	322.405	1.627	50	20	DDGD	
O=C(CSc1nncs1)NNc1ncnc2ccsc12	766681124	XVIIPNLMDLLPHO-UHFFFAOYSA-N	324.416	1.778	50	20	DDGD	
Cn1nncc1COC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	869460047	KNAURDJPWQGEDW-PTOFAABTSA-N	314.183	1.812	50	20	DDGD	
Cc1cccc(CO[C@@H](C)C(=O)NNC(=O)CC(F)(F)F)c1	869021352	SXZIAMYKWGETQC-JTQLQIEISA-N	318.295	2.000	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)C(C)(C)c2ccccc2)[nH]n1	861381987	OKCRWKSUWYENRF-UHFFFAOYSA-N	317.349	1.549	50	20	DDGD	
COCCOCC(=O)NNC(=O)/C(C)=C/C1CCC(C)CC1	869906074	WBVXBONZXHZYRX-JLHYYAGUSA-N	312.410	1.569	50	20	DDGD	
Cc1cccc(CO[C@H](C)C(=O)NNC(=O)c2cn[nH]c2)c1	869384974	JDKAYWDAVRNFNT-LLVKDONJSA-N	302.334	1.084	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1cnc2c(c1)CCCC2	761071313	BYFZIHXYCVJHOD-UHFFFAOYSA-N	318.377	1.092	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)CSc2ccccc2O)o1	765249733	YKIYEGXUJFFZKI-UHFFFAOYSA-N	321.358	1.550	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)OCCN1CCCC1=O	766752038	ODOPFUHLHGVRCR-SNVBAGLBSA-N	306.200	1.962	50	20	DDGD	
CN1CCC(CNC(=S)NNC(=O)CC(C)(C)C)CC1	760482297	JJFKTGFIKSZABR-UHFFFAOYSA-N	300.472	1.260	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H](Br)C(C)(C)C	767324415	REJVWFNLXTYBBD-QMMMGPOBSA-N	308.220	1.927	50	20	DDGD	
CCN1CCC[C@@H](CNS(=O)(=O)CC(C)(C)CCl)C1	866681902	HGXIQZQYMHBWME-LBPRGKRZSA-N	310.891	1.903	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1cc(O)nc2c1CCCC2	935410501	JOSUFQLOOHXQPI-UHFFFAOYSA-N	318.764	1.893	50	20	DDGD	
CCCCc1ccc(C(=O)NNC(=O)COCCOC)cc1	869911739	KZYFMDJJFADHAN-UHFFFAOYSA-N	308.378	1.453	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN1C1CCCC1)c1cccc(Cl)n1	862469053	XJXVTPAFBOPQPY-GFCCVEGCSA-N	322.796	1.513	50	20	DDGD	
Cn1c(=NNC(=O)[C@H]2C[C@]23CCOC3)sc2ccccc21	763370939	YMZPPCDXHHEJHM-BMIGLBTASA-N	303.387	1.598	50	20	DDGD	
CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)CC(C)(C)CCl	866437684	MJDXZKSAONIRLA-JTQLQIEISA-N	310.847	1.134	50	20	DDGD	
CCC1(CC)C(=NNC(=O)[C@H]2CCS(=O)(=O)C2)C[C@@H]1OC	762605730	YBUZQGQPEYPIAH-JQWIXIFHSA-N	316.423	1.118	50	20	DDGD	
Cc1cc(=NNC(=O)CN(C(=O)OC(C)(C)C)C(C)C)cc[nH]1	862515632	YMEXOMJCMZYRBL-UHFFFAOYSA-N	322.409	1.901	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C(C)(C)O)c(OCC(C)C)c1	768255748	OWEMPUKIMZNKQT-UHFFFAOYSA-N	324.377	1.262	50	20	DDGD	
O=C(NNc1ncncc1Cl)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2	1116696162	UWMHMVIAYCMHNN-OAAXVMEWSA-N	322.796	1.904	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC[C@@H](N2CCCCC2=O)C1	870830923	MQVJQMNOTUHTSV-WUFNSSIPSA-N	305.378	1.434	50	20	DDGD	
C[C@H](CC(=O)NNC(=S)Nc1ccccn1)c1cnn(C)c1	874956110	LJJXWYUCPWNVNQ-SNVBAGLBSA-N	318.406	1.327	50	20	DDGD	
CC1(C(=O)NNC(=O)COc2ccc(C#N)cc2)CC(F)(F)C1	873778351	UVOGORWYHFQEBR-UHFFFAOYSA-N	323.299	1.520	50	20	DDGD	
COc1ccc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)cc1	771888913	ILEAXMIILWBRFD-NSHDSACASA-N	322.361	1.434	50	20	DDGD	
CCOC(=O)Cc1cccc(NC(=O)NN(C)CCOC)c1	878778355	HWBBGLAXPWOEKD-UHFFFAOYSA-N	309.366	1.407	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H](C)COCC(F)(F)F)cc[nH]1	875170700	MNVZULFLARJZGK-VIFPVBQESA-N	306.288	1.405	50	20	DDGD	
Cc1cnn(-c2c(C(=O)NNc3ccccc3)c(C)nn2C)c1	779008327	KQVATTSTKZVXTA-UHFFFAOYSA-N	310.361	1.980	50	20	DDGD	
COC(=O)C(=O)NN=C1CCN(C(=O)OC(C)(C)C)C1(C)C	1117782692	PFDMRUWFEZNQPZ-UHFFFAOYSA-N	313.354	1.051	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=Cc2ccc(F)nc2)C[C@@H](C)O1	777429440	KUUFSNAPJKWGNU-RWMBFGLXSA-N	322.384	1.416	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C1C(C)(C)C1(C)C	772166173	PZXBFHVSGSWGBI-SNVBAGLBSA-N	312.410	1.794	50	20	DDGD	
CC[C@H]1CCCCC1=NNC(=O)N[C@H]1CCS(=O)(=O)C1	779770981	NNDFPYLLKYDAJV-QWRGUYRKSA-N	301.412	1.429	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cccnc1OCC(C)C	887143409	XYWOAYPXMNAMOQ-UHFFFAOYSA-N	303.362	1.681	50	20	DDGD	
CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)NNC(=O)C(C)C	770827492	FLYXZAKWNZFPCV-GXFFZTMASA-N	311.357	1.888	50	20	DDGD	
COC(=O)CNC(=O)NN=C(CC(F)(F)F)c1ccccc1	779822366	CHTBLBWHFOGXPC-UHFFFAOYSA-N	317.267	1.815	50	20	DDGD	
Cc1c([N+](=O)[O-])cc(C(=O)NNC(=O)C(C)C)cc1[N+](=O)[O-]	770157316	QHCPJMNRDQMJIQ-UHFFFAOYSA-N	310.266	1.228	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@H]1C[C@@H](C(=O)OC)C1)c1ccccc1	1120604629	JSZKRGCOQQHYEQ-HZSPNIEDSA-N	318.373	1.527	50	20	DDGD	
CCCSc1cccc(NC(=O)NNC(=O)COCC)n1	880263816	VCQOROKEENGHEO-UHFFFAOYSA-N	312.395	1.773	50	20	DDGD	
COC(=O)[C@@H](NS(=O)(=O)CCCCl)C1CCCCC1	881985186	YFWLRRRFHFOFRE-NSHDSACASA-N	311.831	1.657	50	20	DDGD	
NC(=O)C1(C(=O)NNc2cc(Br)ccc2F)CC1	885146332	UFKZEMVTHQDGAU-UHFFFAOYSA-N	316.130	1.297	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@@H]2CO[C@@H](C)C2)cc1	784144863	KXUNYNYQZDBPIP-RYUDHWBXSA-N	308.403	1.660	50	20	DDGD	
CN1CCCC[C@@H]1C(=O)NNC(=O)NCc1ccc(Cl)cc1	787423971	OFHFWZWDYLKMDZ-CYBMUJFWSA-N	324.812	1.655	50	20	DDGD	
C[C@@H](Cc1ccccc1F)C(=O)NNC(=O)C1CCOCC1	883063809	DBRQUXJAGQHBKJ-NSHDSACASA-N	308.353	1.578	50	20	DDGD	
N#Cc1ccc(NNC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)nc1	888815456	ONWKIHMEEVJYBQ-CHWSQXEVSA-N	301.350	1.537	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cnc(OCC2CC2)c(Cl)c1	784589379	DZHQNEXLPUTCKO-UHFFFAOYSA-N	311.769	1.941	50	20	DDGD	
COC(=O)C1(N(C)S(=O)(=O)CBr)CCCC1	782474117	LHZCMSXWJKWRBX-UHFFFAOYSA-N	314.201	1.086	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)CN2CCCNC2=O)cc1	780804930	MSZAVZMCGIZIEK-UHFFFAOYSA-N	304.394	1.843	50	20	DDGD	
CC[C@@H](C)[C@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	780248440	YXCDGTYTCPTJDR-OLZOCXBDSA-N	320.389	1.981	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCN1CCN(CC(N)=O)CC1	788021587	SOUJWUDDYJDVID-UHFFFAOYSA-N	301.507	1.111	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccco1)c1cccc2ncccc12	783529014	VNYMZGCOPRMZAK-UHFFFAOYSA-N	317.326	1.451	50	20	DDGD	
Cc1cc(O)cc(=O)n1CCC(=O)NNc1cc(Cl)ccn1	783702440	NZCCZFUFQVOUBQ-UHFFFAOYSA-N	322.752	1.444	50	20	DDGD	
O=S(=O)(CBr)N[C@H]1C[C@@H]1c1cccc(F)c1	782424829	IXEPISHJWNKDGJ-ZJUUUORDSA-N	308.172	1.953	50	20	DDGD	
O=C(NCCCCn1ccnc1)NNc1ncncc1Cl	780974516	QMUTUYAUQRASJH-UHFFFAOYSA-N	309.761	1.433	50	20	DDGD	
CC[C@@H]1CCC[C@H](C=NNC(=O)[C@H]2CCS(=O)(=O)C2)C1	783821820	PMWRQYHTKDEAQR-AGIUHOORSA-N	300.424	1.740	50	20	DDGD	
O=C(NNc1ncccn1)Nc1ccc(OC2COC2)cc1	782092153	CRFIXOCNSJEAOP-UHFFFAOYSA-N	301.306	1.403	50	20	DDGD	
O=C(/C=C\c1ccc2[nH]ccc2c1)NNC(=O)C1CCOCC1	894104261	ZKNXQLUQLCYVFK-RQOWECAXSA-N	313.357	1.755	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1nnc2ccccc2n1	798168314	GNYIMEIWRMAYAT-UHFFFAOYSA-N	310.273	1.690	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H](O)Cc1ccccc1	793475319	OGXVPIQPYUOMBE-AWEZNQCLSA-N	314.341	1.060	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53	793202613	ZYVKTBFYFULLGY-RBNFFJILSA-N	303.406	1.511	50	20	DDGD	
CC(C)S(=O)(=O)CC(=O)NNc1cccc(F)c1[N+](=O)[O-]	791071187	YLUGAUBMTZXQFX-UHFFFAOYSA-N	319.314	1.000	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1cccc(-n2cccn2)c1	794957748	FVRRYDOVZVDTTG-GXDHUFHOSA-N	302.359	1.628	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(O[C@H](C)C(=O)O)cc1	794904263	YDBUCHBTTFWIFX-LLVKDONJSA-N	323.349	1.208	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccc2nc(O)oc2c1	791258077	LXPANCIFFPAVTB-UHFFFAOYSA-N	310.273	1.333	50	20	DDGD	
CC(C)(C(=O)OCC(=O)NNC(=O)c1ccccc1)C(F)F	795857972	ZJKKFBDVTSVQAN-UHFFFAOYSA-N	314.288	1.282	50	20	DDGD	
CSc1c(F)cccc1C(=O)NNC(=O)Cc1cccnc1	797859563	JZPMDGJXSJJHLV-UHFFFAOYSA-N	319.361	1.946	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)c2cccc(C)n2)cc1	794600981	LPGVDLVHYDJGST-UHFFFAOYSA-N	321.358	1.022	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)CCc2cnccn2)c1	793757765	DTERVTUDHKWRAM-UHFFFAOYSA-N	302.725	1.473	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2c[nH]nc2C1)c1ccccc1Cl	1318751021	BCDKVWMDOAOJGY-SECBINFHSA-N	318.764	1.629	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cnc(C2CC2)[nH]1	1319090295	YFHLIKYDSAZWET-UHFFFAOYSA-N	300.318	1.371	50	20	DDGD	
O=C(CCl)N1CCC(c2nnc(S)n2C2CC2)CC1	1319921776	MKZNMJZCKXQNLC-UHFFFAOYSA-N	300.815	1.847	50	20	DDGD	
COc1ccccc1C1(C(=O)NNC(=O)NC(C)C)CCC1	1318115483	QLPNHQQUGUIJMJ-UHFFFAOYSA-N	305.378	1.856	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2	1313431150	IMXDWYQAFYGGSK-BFHYXJOUSA-N	319.361	1.106	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2cccc(C(N)=O)n2)nn1	1323656334	PVQUZCODOWNLAV-UHFFFAOYSA-N	314.349	1.025	50	20	DDGD	
O=C(NNc1cccnn1)c1scnc1Br	1254615462	OUHXBCRVKVRPQK-UHFFFAOYSA-N	300.141	1.453	50	20	DDGD	
COC(=O)N1CCCN(C(=O)[C@@]2(C)C[C@@H]2Br)CC1	1339357956	NUDYBLFIUDLUHP-CABZTGNLSA-N	319.199	1.461	50	20	DDGD	
O=C(CCl)NCc1ccc(C(=O)NCCN2CCCC2)cc1	1336909926	HYMINVWRMGXWHD-UHFFFAOYSA-N	323.824	1.367	50	20	DDGD	
C[C@H](NC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br)C1CCC1	1331356659	IBTGXTXQHWAZQW-GMOODISLSA-N	317.227	1.581	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@](C)(OC)C2CC2)cc1	1261215939	WKUWBCLNCYIMRK-INIZCTEOSA-N	321.377	1.454	50	20	DDGD	
CCO[C@H](CC(=O)NNC(=O)c1n[nH]c2c1CCCC2)C(C)C	1340364834	YWALSIPXCQXMPX-CYBMUJFWSA-N	322.409	1.501	50	20	DDGD	
CS[C@H](CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)C(C)(C)C	1261453450	GPFXZSMHGSSXBW-GMTAPVOTSA-N	317.455	1.520	50	20	DDGD	
COC(=O)c1cn(CCNC(=O)c2cccc(CCl)c2)nn1	1353677461	DWGOOPMQKMEKBK-UHFFFAOYSA-N	322.752	1.234	50	20	DDGD	
CC(=NNC(=O)[C@]1(C)CCCO1)c1ccc(OCC(=O)O)cc1	1609553300	YOKHNLFFYKSULE-INIZCTEOSA-N	320.345	1.559	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)Nc2cccc(C(=O)O)c2)CCCO1	1609810858	SMWRJNLWQZXZJU-CQSZACIVSA-N	307.306	1.107	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)Cc2ccccc2C(=O)O)n1	1605655838	XKRQQHSGKNKXDT-UHFFFAOYSA-N	321.724	1.096	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)CC1(C(=O)O)CCCCC1	1604919138	PWSHBGVHVARKDW-SNVBAGLBSA-N	320.411	1.018	50	20	DDGD	
O=C(NNc1ncccc1Br)[C@H]1CC[C@H]1C(=O)O	1608484200	NBEXVEPPQKAQGU-NKWVEPMBSA-N	314.139	1.398	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2cccc(C(=O)O)c2F)CCN1	1609844451	KRZURCOCEOJVMR-DTWKUNHWSA-N	310.329	1.291	50	20	DDGD	
O=C(O)[C@@H]1CCCCC[C@@H]1NS(=O)(=O)CCCCCl	1608802238	KCFVQCIWFOGBIX-MNOVXSKESA-N	311.831	1.958	50	20	DDGD	
Cn1nc2c(c1C(=O)NNc1ccc(C(=O)O)cn1)CCCC2	1608151630	QSMPROYPVHRZMR-UHFFFAOYSA-N	315.333	1.149	50	20	DDGD	
O=C(O)C(=O)NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1	1610714156	IPRAXCMZYKLEBG-UHFFFAOYSA-N	303.230	1.390	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H]2CCCO[C@@H]2c2ccnn2C)o1	1549315848	MVMFHPPNZPTCTD-ZFWWWQNUSA-N	316.361	1.940	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@@H]1C=NNC(=O)C1CCOCC1	1552923062	VYTQXVBYJDBKHF-ZIAGYGMSSA-N	320.393	1.509	50	20	DDGD	
O=S1(=O)C[C@@H](Br)[C@@H](OCc2ccccc2)C1	158127571	VUZKVLUMQRDYJE-MNOVXSKESA-N	305.193	1.764	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@@H]2C=NNC(=O)Cc2cc[nH]n2)cn1	1552452381	KJWMMYAYPSICAJ-IAQYHMDHSA-N	316.365	1.048	50	20	DDGD	
CC(C)(N)CNC(=O)NNc1cccc2c1OC(F)(F)O2	1575358574	YEXUAQQGBYFFBK-UHFFFAOYSA-N	302.281	1.372	50	20	DDGD	
C=CCOCCCNC(=O)NNc1ccc(CC(=O)O)cc1	1588866646	ONXDUIJUOHDXOG-UHFFFAOYSA-N	307.350	1.533	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN1)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F	1580735969	JTJOQFHDHJWNOU-QIBXXNMASA-N	319.327	1.110	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1ccc(C(F)(F)F)s1	1589012191	FCTUFUXZOVALCH-UHFFFAOYSA-N	309.269	1.875	50	20	DDGD	
CC[C@H](C(=O)O)C(=O)NNC(=O)NCc1ccc(Cl)cc1	1594755745	QHXHKIATCPATJX-JTQLQIEISA-N	313.741	1.281	50	20	DDGD	
C#CCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)CCl	1847439907	NLHJJWWSDJKVST-STQMWFEESA-N	310.825	1.867	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)O)C2(C)C)cc[nH]1	1594325129	BGVDDWGOHCOZKE-WCFLWFBJSA-N	320.393	1.573	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1nc(Cl)cs1	1593163441	VWPQXHCDJJFHFM-UHFFFAOYSA-N	322.741	1.129	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(COC)cc(C(=O)O)c1	1599232457	QZMDUJBDLXERTI-UHFFFAOYSA-N	311.338	1.146	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)N[C@H]1CCC(F)(F)C1	1593164693	MVNSOQSOINVPNV-QMMMGPOBSA-N	324.295	1.076	50	20	DDGD	
CC(=NNC(=O)c1ccc(O)nc1)c1ccc(C(=O)O)c(F)c1	1776094548	YWLVCOAVTNZBQD-UHFFFAOYSA-N	317.276	1.779	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2sccc2C(=O)O)n1	1776026235	JBGROOUAEGDOKH-UHFFFAOYSA-N	306.347	1.410	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(C)=O)[C@H]2C1	1786616055	FVQVHQPMGWFXFS-XUXIUFHCSA-N	316.829	1.394	50	20	DDGD	
O=C(NNC(=O)c1cc(=O)c2ccccc2o1)c1ccncc1	5776711	WLCXGYSJXDFJGH-UHFFFAOYSA-N	309.281	1.263	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cccc(C)c2C)n1	15462493	GQUOAIHGQVCORQ-UHFFFAOYSA-N	300.362	1.578	50	20	DDGD	
COC(=O)NNC(=O)[C@H](C)c1ccc(Br)cc1	158832368	VFJKIDWGHWBWKM-SSDOTTSWSA-N	301.140	1.940	50	20	DDGD	
C=C(C)CN(CC)CC(=O)NNC(=O)c1cccc(C#N)c1	164716340	SQVQQIBAEDPCBL-UHFFFAOYSA-N	300.362	1.217	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)nc1	157577285	CACJOXMWHMRFBZ-JHJVBQTASA-N	306.366	1.674	50	20	DDGD	
COc1ccc([C@@H](O)CNS(=O)(=O)CCCCCl)cc1	154313867	FEOLXMLMRZBNNF-ZDUSSCGKSA-N	321.826	1.667	50	20	DDGD	
CC(C)[C@@H]1C(=O)NCCN1C[C@@H](CBr)C1CC1	859136146	ZMQFVOURDLTOMK-VXGBXAGGSA-N	303.244	1.864	50	20	DDGD	
N#CSCCCNC(=O)CCN1C(=O)c2ccccc2C1=O	773570386	DJYDDGOMVPAAOD-UHFFFAOYSA-N	317.370	1.393	50	20	DDGD	
CC(=O)c1cccc(O[C@@H](C)C(=O)NNc2cc(C)ncn2)c1	172274046	RCIWTZHROCNQIE-LBPRGKRZSA-N	314.345	1.898	50	20	DDGD	
O=C(CCC(F)(F)F)NNC(=O)[C@@H]1COc2ccccc2O1	173055690	WCGQKJNTNVICBF-JTQLQIEISA-N	318.251	1.316	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccc(F)cc2F)c1O	54163620	SQXCDVKBKKNTEL-UHFFFAOYSA-N	322.267	1.754	50	20	DDGD	
Cc1ccc(-n2nnc(C(=O)NNC(=O)c3ccc[nH]3)c2C)cc1	119853788	SHWGFABMGJQHGR-UHFFFAOYSA-N	324.344	1.287	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](c1ncccc1C)C(C)C	115839956	TWRQXVMZNQNYHB-CYBMUJFWSA-N	308.382	1.454	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCc1ccc(Cl)nc1	103510820	GVKZCDMBARQEEH-UHFFFAOYSA-N	319.752	1.203	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1cc(Cl)cc(Cl)c1	106417233	SXIGQZXLLOQDHQ-UHFFFAOYSA-N	313.144	1.720	50	20	DDGD	
COc1c(C)cc(C(=O)NNC(=O)Cc2cccnc2)cc1C	179906797	FXALFPKUDKXCIP-UHFFFAOYSA-N	313.357	1.711	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)Nc1ccccn1	67296989	JOHLUMOIJXJEIR-UHFFFAOYSA-N	314.345	1.876	50	20	DDGD	
CCC[C@@H](C(=O)NNC(=O)c1cnn(C)c1)c1ccccc1	117682124	BMEAVSRYNLTICD-CQSZACIVSA-N	300.362	1.765	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1ccnc(Br)c1	177320139	CMBQPVPAWXQLIT-UHFFFAOYSA-N	309.123	1.247	50	20	DDGD	
CSc1[nH]c(=O)c(C(=O)NNc2ccc(F)cc2)cc1C#N	121102926	SUPQRBJEMBDHEB-UHFFFAOYSA-N	318.333	1.864	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@H]2CCCO2)c1C	32261964	WUPJQZYQTYXMEF-GXTWGEPZSA-N	306.362	1.397	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=O)CCc1ccc(OC)cc1	185477822	WIUCMVHYGDWUKR-UHFFFAOYSA-N	302.374	1.825	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cnn(C)c2)cnn1CCC(C)C	121686894	STEUYYZVRYKZJX-UHFFFAOYSA-N	318.381	1.046	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCC1Cc2ccccc2C1	127119109	SSHVXJBKZFRCST-UHFFFAOYSA-N	305.378	1.158	50	20	DDGD	
O=C(NNC(=O)c1ccc(-c2ncn[nH]2)cc1)c1ccccc1	184721642	NBWATBFZDJCKNX-UHFFFAOYSA-N	307.313	1.547	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1c(F)cccc1F	126107334	PJUFRKOWHUNSFQ-UHFFFAOYSA-N	313.304	1.487	50	20	DDGD	
O=C(/C=C/c1ccc[nH]1)NNC(=O)NCCc1cccs1	187492374	SKSXVASLWXFBQE-AATRIKPKSA-N	304.375	1.663	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccccc1OC(F)F	32260339	WPKQALSJNHHYGA-JTQLQIEISA-N	300.261	1.228	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2cc(Cl)c[nH]2)cc1	71031969	YQQCZLOGJPRWEY-UHFFFAOYSA-N	322.752	1.550	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1	120360558	GUSVHISEXZSENT-LLVKDONJSA-N	311.426	1.465	50	20	DDGD	
C[C@H]1CC[C@@H](CCC(=O)NNC(=O)COc2ccc(F)cc2)O1	75182761	UOGAYEJODAAEBE-FZMZJTMJSA-N	324.352	1.700	50	20	DDGD	
Cc1cc2c(cc1C)[C@@H](C(=O)NNC(=O)c1ccncc1)CO2	184712314	PMHSZXZKTHJIIT-AWEZNQCLSA-N	311.341	1.636	50	20	DDGD	
O=C(CCNC(=O)C1CCCCC1)NNC(=O)c1ccccc1	132832777	FWTGQZZFXSALNC-UHFFFAOYSA-N	317.389	1.534	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2ccccc2F)cc(O)n1	133711356	YSFNGSQTCAULDS-UHFFFAOYSA-N	303.293	1.238	50	20	DDGD	
O=C(C[C@@H]1CCCOC1)NNC(=O)c1c[nH]c2ccccc12	195043445	ZZVWXOARMVBFGT-NSHDSACASA-N	301.346	1.746	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	194723552	PWZLQRYEVNZXRW-ZETCQYMHSA-N	319.314	1.090	50	20	DDGD	
Cc1nn(C)c(Cl)c1C(=O)NNC(=O)CCc1ccccc1	132542364	NPVNACTYYQVAPS-UHFFFAOYSA-N	320.780	1.776	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)CCCc2ccccc2)n1	46571814	YDSDZRUTCYQPKK-UHFFFAOYSA-N	314.389	1.670	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1occc1Br	81551212	FWOMCXOWCSWNSV-UHFFFAOYSA-N	324.134	1.441	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNC(=O)c2ccccn2)ccc1C	46810368	WURVYGPBNJRBHQ-UHFFFAOYSA-N	312.329	1.423	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NCCC2CCCCC2)n1	46903050	YICAFLOIIBBGBI-UHFFFAOYSA-N	321.425	1.801	50	20	DDGD	
Cc1ccc(F)c(NC(=O)C(=O)NNc2cc(C)nc(C)n2)c1	130458241	IOSJBTBGDLSJMQ-UHFFFAOYSA-N	317.324	1.623	50	20	DDGD	
N#C/C(=C/c1ccc2c(c1)NC(=O)CO2)C(=O)Nc1ccncc1	195307543	ARONJQWFVGGBLQ-GHXNOFRVSA-N	320.308	1.958	50	20	DDGD	
O=C(CCO)NNC(=O)N[C@H](c1ccccc1)C(F)(F)F	133763347	DMLHMVIDLQIIHQ-SNVBAGLBSA-N	305.256	1.003	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1ccc(-n2cccc2)cc1	194901584	AOWQBVDLALQNSE-UHFFFAOYSA-N	314.345	1.164	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccncc1C(F)(F)F	194561319	HFEHQWBOOQGFNR-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
C[S@@](=O)c1ccc(CNC(=O)NNc2ncccn2)cc1	80195035	AKXRGFNSLFSKCC-NRFANRHFSA-N	305.363	1.040	50	20	DDGD	
O=C(NNc1cnccn1)Nc1cccc(NC(=O)C2CC2)c1	92226768	OZXIMSPIDHQFSA-UHFFFAOYSA-N	312.333	1.974	50	20	DDGD	
O=C(NN=Cc1ccc(O)c(O)c1)c1cccc([N+](=O)[O-])c1	254850419	ZXDFXUDRSGQHHY-UHFFFAOYSA-N	301.258	1.770	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)COc1ccccc1OC	269730303	YBVZHWGZANGIOH-LLVKDONJSA-N	310.350	1.037	50	20	DDGD	
Cn1c(CNC(=O)NNC(=O)C2CCC2)nc2ccccc21	264765297	QZDOIGBNGIQZNV-UHFFFAOYSA-N	301.350	1.204	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)C2CCC2)nn1-c1ccccc1	265530115	FLRUACXQIVZUEG-UHFFFAOYSA-N	313.361	1.391	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNc2cccc([N+](=O)[O-])c2C)C1	269617694	RDEQWKNIKULDOO-LLVKDONJSA-N	320.349	1.605	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1C1CCCC1)c1ccccn1	269580124	FBAFQMVYMIPZHW-CQSZACIVSA-N	302.378	1.250	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)COc1ccc(C)cc1)C1CC1	269722783	SKFMVOATYRGNAG-AWEZNQCLSA-N	321.377	1.129	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1ccc(OC(F)F)cc1	269611397	OUSNLWLXUAXSMW-UHFFFAOYSA-N	317.292	1.867	50	20	DDGD	
COC(=O)N[C@@H](CC(C)C)C(=O)NNc1nccnc1Cl	265108612	AEQTWAIWOAQOAV-QMMMGPOBSA-N	315.761	1.344	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCc2ccon2)cc(C#N)n1C	271417359	OJYOEYGKQLUVKN-NTUHNPAUSA-N	309.329	1.459	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCCNC(=O)C1CCC1	276682482	IGJQNFDOMUUBKV-UHFFFAOYSA-N	305.382	1.323	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H](NC(=O)NNc1ncccn1)C2	271126035	KOIPRPSJDGQACC-NSHDSACASA-N	315.333	1.115	50	20	DDGD	
O=C(NC[C@@H]1COC2(CCCCC2)O1)NNC(=O)c1ccc[nH]1	271896287	NVQLQLQLIMQOPL-LLVKDONJSA-N	322.365	1.035	50	20	DDGD	
NC[C@@H]1CN(C(=O)CCCC[C@@H]2CCSS2)CCO1	368416974	OEHUQRQMWDCKBZ-VXGBXAGGSA-N	304.481	1.887	50	20	DDGD	
C[C@H]1C[C@H](CCNC(=O)NNC(=O)Cc2ccncc2)CCO1	273065914	INGMQJFDHPOJRV-GXTWGEPZSA-N	320.393	1.160	50	20	DDGD	
CC(=O)N[C@@H](CC(C)C)C(=O)NNc1ncnc2ccsc12	273000641	ZEKLYUCSWMFGCQ-NSHDSACASA-N	321.406	1.685	50	20	DDGD	
CN(C(=O)/C(C#N)=C\c1cn(CC(=O)O)nn1)C1CCCCC1	270420889	LFIHSWLLKGWTIG-XFFZJAGNSA-N	317.349	1.061	50	20	DDGD	
CCc1csc(CC(=O)NNC(=O)c2cccc(C)n2)n1	283879539	WPODGINXARHSKR-UHFFFAOYSA-N	304.375	1.413	50	20	DDGD	
N[C@H](C(=O)NNc1ccccc1C(F)(F)F)C1CCOCC1	282283801	JWKQSRZYOXAPIK-LBPRGKRZSA-N	317.311	1.902	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)[C@H]1C[C@]12CCOC2	376359043	JNLSWMFQBSKCQU-APWZRJJASA-N	324.380	1.956	50	20	DDGD	
O=C(NNC(=O)c1ccc(NCC2CC2)nc1)c1ccncc1	282288173	YUXXQYNYMJAAPV-UHFFFAOYSA-N	311.345	1.373	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)C2=C(C)OCCS2)n1	288442432	PAXZAYIQJJUSFX-UHFFFAOYSA-N	323.422	1.761	50	20	DDGD	
C[C@@H](Oc1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1)C(=O)O	285574816	SDTADHNMMLZDRV-ZDIKFAODSA-N	300.314	1.724	50	20	DDGD	
COCC1(C(=O)NNC(=O)CNc2ccc(C)cc2)CCC1	287239800	VZZZFQJLKRKDIC-UHFFFAOYSA-N	305.378	1.371	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccccc1S(=O)(=O)C(C)C	286211193	FDDXOCWLSUZWSB-UHFFFAOYSA-N	314.363	1.212	50	20	DDGD	
C[C@H]1COCC[C@H]1CNC(=O)NNc1nc2ccccn2n1	287830790	KOJWYNKPIZDJCX-QWRGUYRKSA-N	304.354	1.028	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)N1CCN(C)CC1)c1ccc(F)cc1	287740276	HOAGDCNTZKSCAU-GFCCVEGCSA-N	322.384	1.308	50	20	DDGD	
COCCN(C)NC(=O)c1cc(F)cc(Br)c1	288672340	ZIHBPCGKLGCIGL-UHFFFAOYSA-N	305.147	1.811	50	20	DDGD	
COCC[C@H](C)NC(=O)NNc1ccc2c(O)nccc2c1	287650449	JXWIQIIYTFKUJQ-JTQLQIEISA-N	304.350	1.992	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)c1ccc(Cl)cc1O	282711415	PPQWWCOFQPIENN-SXMVTHIZSA-N	312.753	1.620	50	20	DDGD	
N#CCCCC(=O)NNC(=O)c1cccc(Br)c1	292040532	FRFHVRDIHYVWQE-UHFFFAOYSA-N	310.151	1.904	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(C1CCCC1)[C@@H](C)CO	805751329	HHTVEAZQVQTRMN-QWHCGFSZSA-N	313.442	1.194	50	20	DDGD	
COc1cc(C=NNC(C)=O)cc(OC)c1OCC(F)F	807942469	DKAAZILWGNVAHV-UHFFFAOYSA-N	302.277	1.818	50	20	DDGD	
Cc1cc(=NC(=O)NNC(=O)c2cnn(C)c2)c2ccccc2[nH]1	809886606	KDJYTHBASOEEKP-UHFFFAOYSA-N	324.344	1.165	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)Cc1c[nH]c2ccccc12	800315613	YPIDOYIGLRIPNN-USBNGQNGSA-N	315.373	1.671	50	20	DDGD	
Cn1nncc1CNC(=O)NNC(=O)c1ccc2ccccc2c1	808228772	NJYLEMGHPHXGCP-UHFFFAOYSA-N	324.344	1.113	50	20	DDGD	
CN(CCI)C[C@@H](O)Cc1ccccc1	293441390	VCBKWYXTJJCFGV-LBPRGKRZSA-N	319.186	1.957	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)c(F)c1	802030842	UERUQFFMGMSIQU-UHFFFAOYSA-N	304.281	1.118	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)Cc1ccccc1N(C)C	808785806	VILMYULWDFXYAO-GFCCVEGCSA-N	306.410	1.130	50	20	DDGD	
CSCc1ccc(NC(=O)NNC(=O)[C@@H]2CCCO2)cc1	292803380	BQWJFRFWJBATCJ-LBPRGKRZSA-N	309.391	1.881	50	20	DDGD	
C[C@H]1C[C@@H](c2cccnc2)N(CC(=O)NNC(=O)C2CC2)C1	805749945	VJBXGCHSFUNPOH-FZMZJTMJSA-N	302.378	1.022	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@H](C)C(C)(F)F	292660505	KWHSTQZEDFXKEP-SECBINFHSA-N	316.304	1.513	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@H]1c1cccnc1	805747143	UDVACCLNNFJENL-ZFWWWQNUSA-N	318.421	1.801	50	20	DDGD	
C[C@@H]1COCC[C@H]1CNC(=O)NNC(=O)c1cccc(C#N)c1	805067501	UURZAJJREMHNGH-RISCZKNCSA-N	316.361	1.175	50	20	DDGD	
Cc1ccc(F)c(NC(=O)NNC(=O)N2CCN(C)CC2)c1	808470985	PJVGUYBEQYWBHD-UHFFFAOYSA-N	309.345	1.128	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCN1CCSC[C@H]1C(N)=O	808741987	WKJDGUNUNVZFBG-NSHDSACASA-N	304.532	1.911	50	20	DDGD	
Cc1cc(C)cc(NC(=O)C(=O)NNc2cccc(F)n2)c1	807392608	SQHYAOQIXPQHLK-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCCC(=O)NC)cc1	299560795	XYIKLJWFPMRHSC-JLHYYAGUSA-N	301.346	1.245	50	20	DDGD	
CCO[C@H]1C[C@](CO)(NC(=O)NCCSSC)C1(C)C	807233877	OQJXLMUSODJBTR-GXFFZTMASA-N	322.496	1.863	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNC(=O)N=c2cc[nH]cc2)no1	802025902	PTFOAWZJNKYHQU-UHFFFAOYSA-N	303.322	1.256	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CCc2cnccn2)cc1	802054376	KEQTWOJTTOXMRA-UHFFFAOYSA-N	315.333	1.271	50	20	DDGD	
CCCC[C@H](C)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	800277946	YHQNOSUGBXJYCW-RYUDHWBXSA-N	300.399	1.938	50	20	DDGD	
CSCCONC(=O)NNc1ccc2c(=O)[nH]ccc2c1	807193299	QHHJDXHDTWMXQF-UHFFFAOYSA-N	308.363	1.449	50	20	DDGD	
CC(=O)c1cc(C(=O)NNc2cc(Cl)nc(N)n2)cs1	816046521	CBQKEJUSQZOGIM-UHFFFAOYSA-N	311.754	1.733	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1nc2ccccc2n1C	816577296	FOZJLVKJBNLMDD-UHFFFAOYSA-N	303.366	1.323	50	20	DDGD	
Cc1nccc(CCC(=O)NNc2nccnc2C2CCC2)n1	816664130	WAGXOHDHJZWBQI-UHFFFAOYSA-N	312.377	1.918	50	20	DDGD	
NC(=O)N1CCC(=NNC(=O)Nc2cc(F)cc(F)c2)CC1	815006724	ZVKBKTWXXNEVMF-UHFFFAOYSA-N	311.292	1.617	50	20	DDGD	
Cc1cccc2c(=O)n(CCC(=O)NN(C)C3CC3)cnc12	819643867	RQBUDXCDWLYZOP-UHFFFAOYSA-N	300.362	1.220	50	20	DDGD	
CO[C@](C)(C=NNC(=O)Cn1cnc2ccccc21)C1CC1	814729419	PGHCRHNJXGHJOJ-MRXNPFEDSA-N	300.362	1.953	50	20	DDGD	
Cn1cncc1CNC(=O)NNC(=O)c1cccc2ncccc12	811924906	QBCASGODLWXXDV-UHFFFAOYSA-N	324.344	1.113	50	20	DDGD	
Cc1nc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)c(C)o1	814502315	VFHJYBXCESOZTQ-VIFPVBQESA-N	311.338	1.030	50	20	DDGD	
O=C(NNc1ncncc1F)c1cc(F)ccc1-n1cccn1	817082909	QAOFNVJBAHUKRR-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)[C@@H](C)CN1CCCCCC1	811635046	KFLQUIGHRWQSTG-DZGCQCFKSA-N	322.453	1.659	50	20	DDGD	
O=C(NNc1ncncc1F)c1c(Cl)nc2ccccn12	817081946	HQYBBRLUFSYHFV-UHFFFAOYSA-N	306.688	1.674	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CC[C@@H](C(=O)O)C2)cc(C#N)n1C	818772641	BNNJVRONXWEAED-MYMMUUHESA-N	312.329	1.045	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1CCCc2sccc21	814762686	HVNOJASRIHHLKT-LBPRGKRZSA-N	321.446	1.873	50	20	DDGD	
COc1ccc2c(ccn2CC(=O)NNC(=O)CC2CC2)c1	819104055	GZIZIXZRXXSEIY-UHFFFAOYSA-N	301.346	1.597	50	20	DDGD	
COCCOCCOC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	729094610	CUFBPWPJZIVQHO-ZSOIEALJSA-N	317.345	1.318	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1	728190807	OOOVSKJRYQTJBU-AWEZNQCLSA-N	315.377	1.267	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H]2CCCCN(C)C2=O)n1	823696061	YSKMFYFDMQLSQW-SECBINFHSA-N	311.773	1.140	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2occc2C)c(OC)c1	826647779	WBNJNTSQRPTSIA-UHFFFAOYSA-N	318.329	1.609	50	20	DDGD	
CC1(C(=O)NNC(=O)c2cc3c(s2)CCC3)CCOCC1	726767476	XTIZCUKQWBREOJ-UHFFFAOYSA-N	308.403	1.815	50	20	DDGD	
C=CCOCC(=O)NNC(=O)CCSc1ccc(F)cc1	729299690	TWGYMACZIJOEEH-UHFFFAOYSA-N	312.366	1.658	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NN=Cc1ccccc1F	491379115	UDCXPBWPSRXIAR-UHFFFAOYSA-N	324.356	1.984	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@H]3CCCC(=O)N3)nc12	828358721	PCESMRWMYZBVEN-SECBINFHSA-N	304.375	1.717	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@@H]3NC(=O)O[C@@H]3C)nc12	828357739	BJNKLPLGSUQNEI-GMSGAONNSA-N	306.347	1.545	50	20	DDGD	
CCN(CC(=O)NN(C)[C@H](C)CO)Cc1ccccc1Cl	823927822	HAAPWXIRUGSGPG-GFCCVEGCSA-N	313.829	1.506	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1	494471935	QOUAIIKYGFDQNM-UHFFFAOYSA-N	322.365	1.998	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCc2c(cccc2C(=O)OC)C1	491107822	WRLMUXDCBBFAQT-QBFSEMIESA-N	314.341	1.802	50	20	DDGD	
N#C[C@@]1(C(=O)NNC(=O)c2ccc(Cl)nc2)CC12CCCC2	822561871	MDFINLGGTMBRCE-OAHLLOKOSA-N	318.764	1.970	50	20	DDGD	
C[C@H](CNCc1ccc(B(O)O)cc1F)Oc1ccccc1	585027602	CBGWJZLCBRECKS-GFCCVEGCSA-N	303.142	1.063	50	20	DDGD	
CN(C(=O)c1ccc(B(O)O)cc1)[C@@H]1CCC[C@@H]1c1ccccc1	584997488	CZSZHWINKJGJLH-QZTJIDSGSA-N	323.201	1.775	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=S)NCCc1cccs1	820168944	KYHXPCAHQDPBSH-UHFFFAOYSA-N	309.420	1.131	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1cc([N+](=O)[O-])ccc1C	739409254	ANKBMAGOYNPQIR-UHFFFAOYSA-N	308.338	1.963	50	20	DDGD	
O=C(N[C@@H](c1ccccn1)C1CCCC1)c1cccc(B(O)O)c1	584955678	VIHJJYALZSFYEO-QGZVFWFLSA-N	324.189	1.423	50	20	DDGD	
CCOC(=O)CN(C(=O)/C(C#N)=C/c1cnn(C)c1)C(C)C	491010309	MAFZUNHFXIQOKI-AWNIVKPZSA-N	304.350	1.127	50	20	DDGD	
C#CC[C@]1(C(=O)NN(C)C2CC2)CCCN1C(=O)OC(C)(C)C	496117297	CWRBBWAALYZZAA-QGZVFWFLSA-N	321.421	1.905	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@H](CO)CC2CCCC2)cn1	491163254	VTYGVCIFSJTQIH-FLLLGSRRSA-N	316.405	1.632	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cc2c(C)noc2C)c1F	837058635	VMTIHSRNBOMBAN-UHFFFAOYSA-N	321.308	1.903	50	20	DDGD	
C=C(C)CCNC(=O)NNC(=O)Cc1cn2ccccc2n1	836579292	HFXSXFRAUBPHEC-UHFFFAOYSA-N	301.350	1.173	50	20	DDGD	
CO[C@H](C1CC1)[C@@H](C)NC(=O)NNC(=O)c1ccccc1F	836429347	QHLOHHUPSYRKHK-RNCFNFMXSA-N	309.341	1.583	50	20	DDGD	
OB(O)c1ccccc1CNC[C@H]1SCCc2ccccc21	585027090	WDBVQFIHEIWHSV-QGZVFWFLSA-N	313.231	1.487	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)cc1	838521477	AJUSQDFWZOKWBS-WFASDCNBSA-N	322.409	1.431	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2c3ccccc3CC[C@@H]21)c1ccc(B(O)O)cc1	585008676	LRRNIEZNBKQMOW-RCCFBDPRSA-N	321.185	1.215	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)C1CN(C2CCCCC2)C1	839556115	KEBMRFBZXHFCBB-UHFFFAOYSA-N	307.316	1.351	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NNc2cccc(C(=O)O)c2)C1	833390753	BHZMFKJLONPJLB-LBPRGKRZSA-N	305.334	1.086	50	20	DDGD	
COCCCOCCC(=O)NNc1cccc([N+](=O)[O-])c1C	830810741	SEOBWQZOSPGWRK-UHFFFAOYSA-N	311.338	1.790	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNc2cc(F)cc(OC)c2)CC1=O	839704007	RMGCFXOEAGELCW-JTQLQIEISA-N	309.341	1.536	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccc(C(=O)O)cc2)nn1	738287613	QITAMIPZBUCYFU-UHFFFAOYSA-N	301.306	1.310	50	20	DDGD	
CC1(C)C[C@@H]1CNC(=O)NNc1ccc(-n2cccn2)nn1	732892646	GOWZJGVPZKHMMT-SNVBAGLBSA-N	301.354	1.335	50	20	DDGD	
COCCOc1cc(C)ccc1NCc1cccc(B(O)O)c1	585012090	DVRJSFDYOBZSMM-UHFFFAOYSA-N	315.178	1.312	50	20	DDGD	
C[C@H](NC(=O)[C@@]1(C)C[C@H]1Br)c1nnnn1C1CC1	907712450	HGZSDKLULBHJLK-QXHCQDJKSA-N	314.187	1.359	50	20	DDGD	
CCc1oc(C=NNC(=O)[C@@H]2CCCCO2)cc1C(=O)OC	834987001	RYKDASOVQNPZDG-ZDUSSCGKSA-N	308.334	1.648	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1	730575400	CKYFFPFFCSIJOA-NSHDSACASA-N	314.794	1.615	50	20	DDGD	
CC1=NO[C@@](C)(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)C1	901373531	KCJURYCENWHMNF-MEBBXXQBSA-N	323.324	1.295	50	20	DDGD	
OB(O)c1cccc(CN[C@H]2CCSc3c(F)cccc32)c1	585017667	HKLYCRFHJQFGTD-HNNXBMFYSA-N	317.194	1.832	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@]2(C)CC2(Cl)Cl)nn1	836586857	SNAMEIFAFXJNEL-JTQLQIEISA-N	304.181	1.995	50	20	DDGD	
CN(C)[C@@H](C(=O)NNC(=O)C1CCC1)c1cccc(Cl)c1	732292190	JMTLNNPVSGVTSV-CYBMUJFWSA-N	309.797	1.890	50	20	DDGD	
OCCCSc1ccc(NCc2ccccc2B(O)O)cc1	585012610	ATCHMBWUQJBOSX-UHFFFAOYSA-N	317.219	1.453	50	20	DDGD	
CC(C)(CC(=O)O)CC(=O)NNc1cnnc2ccccc12	833455701	OUMWWIJCXMTSRQ-UHFFFAOYSA-N	302.334	1.964	50	20	DDGD	
CCN(Cc1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cc1)C1CC1	585069887	RRMKMMJONKQBFW-OAHLLOKOSA-N	316.210	1.360	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=S)NCC(C)C)c1	916117791	NEYZOCBZUSAFIP-UHFFFAOYSA-N	310.423	1.258	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNC(=O)C(C)(C)c1ccccc1	839670548	HJCCQJSCUHWSHO-ZDUSSCGKSA-N	320.389	1.701	50	20	DDGD	
CC[C@H](O)[C@H]1CCCCN1C(=O)/C(C#N)=C/c1cnn(C)c1	912118281	DOWFIMSCLPMZJX-RBBJQHAHSA-N	302.378	1.479	50	20	DDGD	
C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1CC(=O)NNC(=O)C1CC1	830439002	ADFZBWILCDAMRQ-XJKCOSOUSA-N	315.417	1.810	50	20	DDGD	
CC(=O)N[C@@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1)C(C)C	736145787	VONLQZWBPDBXBV-GFCCVEGCSA-N	324.289	1.359	50	20	DDGD	
CCCCc1noc(COC(=O)/C(C#N)=C\c2cnn(C)c2)n1	837969390	NFWOAIMPGWYUPG-SDQBBNPISA-N	315.333	1.796	50	20	DDGD	
NC(=O)c1cccc(NC(=O)NNC(=O)c2ccccc2F)c1	915906427	KLFSCILWGCGKNQ-UHFFFAOYSA-N	316.292	1.391	50	20	DDGD	
COCCN(C)NC(=O)c1cc(Br)ncc1Cl	837626035	ZKMWJGDOVLHQDJ-UHFFFAOYSA-N	322.590	1.721	50	20	DDGD	
COc1ccc2c(c1)OCC[C@H]2NC(=O)NNC(=O)C(C)(C)C	743598974	QLBFRDGSIIFPQU-GFCCVEGCSA-N	321.377	1.895	50	20	DDGD	
CS(=O)(=O)c1ccc(C=NNC(=O)c2ccccn2)cc1	918151382	QWTUNPQAWROCFO-UHFFFAOYSA-N	303.343	1.249	50	20	DDGD	
O=C(NNc1cccnn1)N[C@H](Cn1cccn1)c1ccccc1	741428994	ZADSOMUXXVCMOZ-CQSZACIVSA-N	323.360	1.741	50	20	DDGD	
C[C@@H]([C@H](C)C(=O)NNc1ccc(Cl)c(F)c1)S(C)(=O)=O	841407429	DOBDYLVHANKVLK-YUMQZZPRSA-N	322.789	1.991	50	20	DDGD	
C[C@H](COCC(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccc1	844550664	BQVGLTYKYDDWDC-HIFRSBDPSA-N	320.389	1.523	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)NCCc2cccs2)on1	845297627	CHIXUSWEOYRJIC-UHFFFAOYSA-N	308.363	1.160	50	20	DDGD	
CCC(=NNC(=O)Cc1cn2ccccc2n1)c1cnn(C)c1	747637873	JKFLEFOLJJEASR-UHFFFAOYSA-N	310.361	1.541	50	20	DDGD	
Cc1noc(C)c1C=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1	916366388	URJKTEAEWJBYKZ-SDDRHHMPSA-N	322.409	1.487	50	20	DDGD	
Cc1ccoc1C=NNC(=O)c1cccc(S(C)(=O)=O)c1	743438112	QVTUSLOQUADTBY-UHFFFAOYSA-N	306.343	1.755	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNC(=O)c2ncccn2)cc1	841350610	OENGQASTTAWCIO-NSHDSACASA-N	314.345	1.125	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCCC2=O)c1Cl	913731606	OKWMMQFKPWCKAE-UHFFFAOYSA-N	309.753	1.032	50	20	DDGD	
C=C[C@@H](C)ONC(=O)NNC(=O)c1ccc(OC)cc1OC	845636012	LMUOGYBDKDXMAE-SECBINFHSA-N	309.322	1.154	50	20	DDGD	
C[C@@H](CN)NC(=O)NNC(=O)Nc1ccc(Cl)cc1Cl	841982797	QFDIAYZHGIRTRG-LURJTMIESA-N	320.180	1.676	50	20	DDGD	
Cc1nc2scc(C)n2c1C=NNC(=O)[C@@H]1CCO[C@@H]1C	842553028	DEKOQMZFLWJIIM-GHMZBOCLSA-N	306.391	1.888	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2c[nH]c3ncccc23)ccn1	741763163	BVKRHPVZTHTIKV-UHFFFAOYSA-N	308.345	1.788	50	20	DDGD	
NC(=O)NNC(=S)NCc1ccc(OC(F)(F)F)cc1	742970913	KQKXEBRFHQCZDE-UHFFFAOYSA-N	308.285	1.133	50	20	DDGD	
CC1(CCC(=O)OCC(=O)NNC(=O)c2cccs2)CC1	910035381	AEPREOCSFJPBTB-UHFFFAOYSA-N	310.375	1.633	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)C1(CN)CCCC1	843436804	IZSJONRVWIUUQQ-UHFFFAOYSA-N	311.407	1.052	50	20	DDGD	
CC(C)(C)C[C@H]1CCN(C(=O)NNC(=O)c2ncccn2)C1	841591651	DSVULSRTKVZVJS-LLVKDONJSA-N	305.382	1.589	50	20	DDGD	
Cc1cc(C(F)(F)F)ncc1NC(=O)NNC(=O)CCCN	841243049	NUNSUHJLOMRBPJ-UHFFFAOYSA-N	319.287	1.300	50	20	DDGD	
CC(C)CNC(=S)NNC(=O)c1cc(-c2ccccc2)[nH]n1	916112663	UAGBRDIEINXOHT-UHFFFAOYSA-N	317.418	1.842	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1CC(=O)NNC(=O)c1ccc(C#N)cc1	746184501	DFLNCWUKTSGBLZ-TXEJJXNPSA-N	300.362	1.192	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)CCc2ccccc2)CCN1C	745858303	OJPKYMZZGMLYMS-HIFRSBDPSA-N	318.421	1.432	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2csc(S(N)(=O)=O)c2)c1	748044334	OZRWISIPLKWUNN-UHFFFAOYSA-N	322.371	1.024	50	20	DDGD	
CN(CCNC(=O)NNC(=O)C1CCCC1)c1ccccc1	916226022	LUJREOAKLGVZBO-UHFFFAOYSA-N	304.394	1.643	50	20	DDGD	
CON(C)CCNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	912160321	FLUVJVHDVKAZSL-HOSYDEDBSA-N	305.216	1.550	50	20	DDGD	
CC(C)c1ncc(Cl)c(C(=O)NNC(=O)c2ccccn2)n1	743734553	YNYSVTHYIZASFO-UHFFFAOYSA-N	319.752	1.723	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2oc(C)nc2C)cc1OC	746092283	IKGAGDDSSVGQGA-UHFFFAOYSA-N	319.317	1.383	50	20	DDGD	
COc1ccc(NCC(=O)NN=Cc2cnc3cnccn23)cc1	746367206	ZCJDOIWMMHKGTL-UHFFFAOYSA-N	324.344	1.300	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=C1CCOc2c(F)cc(F)cc21	842554531	JLFNQIDLVLQWFE-WCBMZHEXSA-N	310.300	1.993	50	20	DDGD	
Cc1cccc2[nH]cc(CC(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)c12	843653600	XMMUAWIUBKJRCY-DGCLKSJQSA-N	315.373	1.591	50	20	DDGD	
O=C(NCCOC1CCC1)NNC(=O)c1cccc([N+](=O)[O-])c1	745906640	MWLXDKGTTCTSFE-UHFFFAOYSA-N	322.321	1.108	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H]1CCN(C)C1=O	840545156	BSJRIBPRYNXPPO-QMMMGPOBSA-N	311.773	1.175	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C[C@H]1CCc2ccccc21	843650528	DLOPTVMEKOZVBC-YUTCNCBUSA-N	302.374	1.679	50	20	DDGD	
Cc1cc(C)n(CCCC(=O)NNC(=O)NC2CCCCC2)n1	929246062	KRZGHKAWQSHSLC-UHFFFAOYSA-N	321.425	1.943	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1cccc(-n2cccn2)c1	755933438	TYRBKDPYPQXNFC-UHFFFAOYSA-N	324.344	1.677	50	20	DDGD	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NNC(=O)Cc1cc[nH]n1	755269454	QEJIHDZUWYTIHO-BNOWGMLFSA-N	322.409	1.474	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1cn[nH]c1)Cc1cccs1	858249620	XOMGNZHKZSQKOP-SECBINFHSA-N	307.379	1.294	50	20	DDGD	
CCCN(CC)CCNC(=O)NNc1ncc(Cl)cn1	856874866	VUCYFKUEQNEUFM-UHFFFAOYSA-N	300.794	1.488	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)N[C@H]2C=CCC2)cc1	852510833	WIINLOATNMTOME-NSHDSACASA-N	303.366	1.807	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](O)c1cccc(C(F)(F)F)c1	854921452	RTVFIEHOYOOFDW-SECBINFHSA-N	321.324	1.206	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)c1ccccn1)c1cccc(C#N)c1	751447028	UZJLWUUTHCFPJJ-AWEZNQCLSA-N	310.313	1.102	50	20	DDGD	
C[C@@H](Cc1cncc2ccccc12)C(=O)NNc1cnnn1C	857270394	APMHMKMXQYRRBR-NSHDSACASA-N	310.361	1.685	50	20	DDGD	
Cc1cc(NNC(=O)[C@]2(C(=O)OC(C)(C)C)CC2(C)C)ncn1	857127496	SSAKWVCCAZHNJO-INIZCTEOSA-N	320.393	1.986	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C12CCC(CC1)C2	753400387	PBTCOSIFARRDCI-UHFFFAOYSA-N	317.389	1.835	50	20	DDGD	
Cc1ccc(NNC(=O)[C@](C)(O)Cn2ccccc2=O)cc1F	856228538	WOMKWLBDVDZMRC-MRXNPFEDSA-N	319.336	1.190	50	20	DDGD	
O=C(NNC(=O)c1ccnc(C2CC2)n1)OCC(F)(F)F	856023708	SYFQTOYLKXOKFD-UHFFFAOYSA-N	304.228	1.287	50	20	DDGD	
COc1cc(C)cc2c1OCCC2=NNC(=O)c1cnccn1	920375978	SBGYEOYDOWMVTI-UHFFFAOYSA-N	312.329	1.710	50	20	DDGD	
CCn1nncc1CNC(=O)NNC(=O)Nc1ccccc1C	858649372	UFXLWGARRKKJKF-UHFFFAOYSA-N	317.353	1.142	50	20	DDGD	
C[C@]1(CNC(=O)NCCOC(F)(F)F)C[C@H]1Br	856852069	MHILIQXZFLRVKY-HTRCEHHLSA-N	319.121	1.996	50	20	DDGD	
COCC1(C(=O)NC[C@]2(C)C[C@H]2Br)CCNCC1	857007979	ZBSMRPQMMSOCOW-PWSUYJOCSA-N	319.243	1.292	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2(C(=O)OC)CC2)c1C	855625593	XKTNVKUVYKHPCO-UHFFFAOYSA-N	306.318	1.178	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)c1ccnc(O)c1	753014735	KMYOCELXNLLVJN-UHFFFAOYSA-N	322.415	1.200	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc(F)n2)c(C2CC2)n1	856428109	OKEZJTAQNYENPT-UHFFFAOYSA-N	314.320	1.876	50	20	DDGD	
CN(C)C1(CNC(=O)NNC(=O)c2cccc(F)n2)CCCC1	852180420	OICCKEPTDNVWMM-UHFFFAOYSA-N	323.372	1.039	50	20	DDGD	
CCN1C[C@H](CNC(=O)NNc2ccc(F)c(F)c2)CC1=O	923076387	ZBIKUONFCFPXGU-VIFPVBQESA-N	312.320	1.459	50	20	DDGD	
CNC(=S)N(C)NC(=O)C(C)(C)Oc1ccc(C#N)cc1	854923351	SHWLPYBBEIBCHS-UHFFFAOYSA-N	306.391	1.183	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@H]1CCc2cccnc21	855090070	OHTUWUQSYUGNEZ-LBPRGKRZSA-N	304.419	1.407	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@H](O)C2CC2)ccc1OC(C)C	854235462	AXIVUGLIZIIETI-CQSZACIVSA-N	322.361	1.014	50	20	DDGD	
CCn1nc(C)c(NC(=O)NNC(=O)CC(F)(F)F)c1C	757871322	JICLCVZOULQGHP-UHFFFAOYSA-N	307.276	1.625	50	20	DDGD	
Cc1nc2cccc(C(=O)NNC(=S)NCC3CCC3)c2[nH]1	855089655	ABADXZIFHMDTLJ-UHFFFAOYSA-N	317.418	1.780	50	20	DDGD	
C#CC1CCC(=NNC(=O)c2cccc(S(C)(=O)=O)c2)CC1	853290505	ZNRYPJRJFNLYHS-UHFFFAOYSA-N	318.398	1.999	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1c[nH]c2ncccc12	855092268	XOQHMVLSJXWKLN-UHFFFAOYSA-N	303.391	1.472	50	20	DDGD	
COC(=O)CCC(C)=NNC(=O)C(=O)Nc1ccc(C)c(C)c1	756877220	WRMRJEZFEHETQQ-UHFFFAOYSA-N	319.361	1.687	50	20	DDGD	
COC[C@](C)(NC(=O)NNc1ccc(OC)cn1)C(F)(F)F	932330109	MFIZPAGVPWXEGE-NSHDSACASA-N	322.287	1.684	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CCc3cncn3C2)C[C@@H]1Br	857387210	FWRRLKLLMNJTNQ-SUZMYJTESA-N	312.211	1.735	50	20	DDGD	
C[C@H]1CCC[C@H](CNC(=O)NNC(=O)c2cccc(F)n2)C1	852709641	DFCCWOCQYHRELS-QWRGUYRKSA-N	308.357	1.991	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc2c(c1)N(C(=O)CC)CC2	934187267	YROUQPWWTBGXFN-UHFFFAOYSA-N	304.350	1.548	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H]2CCc3c[nH]nc3C2)c1	862478799	QVONEQZLWKIZAY-SECBINFHSA-N	304.375	1.346	50	20	DDGD	
COC1(C=NNC(=O)c2cc(Cl)ccc2O)CCOCC1	761785755	KPTBJMKVUJMBTI-UHFFFAOYSA-N	312.753	1.957	50	20	DDGD	
CC1(C)CC(=NNC(=O)[C@@H]2CCC(=O)N2)c2cc(O)ccc2O1	863149604	DAEZKOOISIUZKF-NSHDSACASA-N	317.345	1.052	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@@H]2CCN2C2CCCC2)c1	862467248	NKIHGFASAKTOTP-HNNXBMFYSA-N	312.373	1.336	50	20	DDGD	
CCOCCC1(C(=O)NNC(=O)Cc2cc(C)[nH]n2)CCC1	869013924	KISIKUMDKJZJEW-UHFFFAOYSA-N	308.382	1.005	50	20	DDGD	
CC(=O)N[C@](C)(C(=O)NNC(=O)Nc1ccccc1)C(C)C	935857100	OTFDSYIJBBWFMP-HNNXBMFYSA-N	306.366	1.390	50	20	DDGD	
CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)c1cn[nH]c1	862471852	AWKUMXFLGHXSJQ-ZDUSSCGKSA-N	302.334	1.337	50	20	DDGD	
CC(C)(CCC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1	862457878	SQPCVXIIJHSSFL-CYBMUJFWSA-N	317.389	1.170	50	20	DDGD	
CCOc1cc(Cl)ccc1NC(=O)C(=O)NNC(=O)CC	763444664	ZBVWFDRWVYLYSH-UHFFFAOYSA-N	313.741	1.235	50	20	DDGD	
CCc1nnc(-c2cccc(NCc3ccccc3B(O)O)c2)o1	864029888	UPWMHJXMKFLMKL-UHFFFAOYSA-N	323.161	1.591	50	20	DDGD	
CCCOc1ccc(NC(=O)NNC(=O)COCC)cc1F	861634854	UMWJJOTXBMFECQ-UHFFFAOYSA-N	313.329	1.804	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cccc2[nH]ncc12	863091371	HIZBTVFEMCCPPG-UHFFFAOYSA-N	308.210	1.995	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cn[nH]c2)c(C2CCCCC2)n1	862471741	NAULOUBPYNIMKW-UHFFFAOYSA-N	316.365	1.266	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cccnc2Cl)o1	764366879	BHFUUWACUDXEEY-UHFFFAOYSA-N	322.708	1.036	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccc(O)c(F)c2)cc1	768689919	JYTDWCFLIIUEJB-UHFFFAOYSA-N	317.320	1.713	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc2cnn(C(C)C)c2c1	763437834	IOWKKKAGOKDBPR-UHFFFAOYSA-N	317.349	1.113	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccc(Oc2ccccc2)nc1	768245548	SMGIYAGPPJEDMD-UHFFFAOYSA-N	315.329	1.406	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)c2cc(C)[nH]n2)[C@@H](C)C1	761266177	DYUVPONDCDYJLJ-GXSJLCMTSA-N	306.366	1.803	50	20	DDGD	
O=C(CN1CCCNC1=O)NNc1c(Cl)cccc1Cl	763623976	KOXRUNKYMNNEIJ-UHFFFAOYSA-N	317.176	1.852	50	20	DDGD	
Cc1cc(C(=O)NN=c2sc3ccccc3n2C)c(C)nn1	767172379	ZCDRPIVHSHSIBG-UHFFFAOYSA-N	313.386	1.892	50	20	DDGD	
O=C(/C=C/[C@H]1CCOC1)NNC(=O)c1nc2ccccc2s1	874914436	WXIIVUUGLBTZQA-PORFMDCZSA-N	317.370	1.650	50	20	DDGD	
CSc1ccc(C)c(NC(=O)C(=O)NNc2cnccn2)c1	766256358	HZAWZFWSNMBLBS-UHFFFAOYSA-N	317.374	1.589	50	20	DDGD	
Cc1cccc(NNC(=O)NCCCOCC(F)(F)F)n1	875073464	KPHFFGPSQQWWCW-UHFFFAOYSA-N	306.288	1.985	50	20	DDGD	
O=C(NNc1ncccc1C(F)(F)F)C(=O)Nc1ccon1	1116705162	ZQTDQYISOYMUHW-UHFFFAOYSA-N	315.211	1.170	50	20	DDGD	
O=C(NN=Cc1cccnc1Br)[C@H]1CCCCO1	872378550	BCWWKCIBRAZNCS-SNVBAGLBSA-N	312.167	1.863	50	20	DDGD	
O=C(COC1CCOCC1)NNc1ccc(C(F)(F)F)cn1	775252343	VWALHFZQHKBDRD-UHFFFAOYSA-N	319.283	1.739	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)c2ccc(C)o2)nc1	775094951	HYHOEXYFQUXOBW-UHFFFAOYSA-N	304.306	1.136	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)c1ccco1	772156255	CFZOZCWOPULGOJ-GHMZBOCLSA-N	310.350	1.508	50	20	DDGD	
O=C(NNc1ccc(F)cn1)[C@H]1CCCN1c1ncccn1	874647621	YOQZRLSAAPGGID-LLVKDONJSA-N	302.313	1.123	50	20	DDGD	
CCC(=NNC(=O)C(N)=O)c1cc(F)cc(Br)c1	776183024	GYMBCAIHUKHPQG-UHFFFAOYSA-N	316.130	1.304	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)Nc2cccnc2)C[C@H]1Br	1118809958	PIWCFAUXYPTEQP-SKDRFNHKSA-N	312.167	1.310	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1ccc(C(N)=O)o1	773642180	XRGRLCOUVVCKCZ-UHFFFAOYSA-N	321.264	1.061	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2cn3ccccc3n2)ccc1O	779529502	DIMZMXFIUBAFIB-UHFFFAOYSA-N	324.340	1.352	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CC2(O)CCC2)cc1C	873761687	FJCIPYZIXAOFSM-UHFFFAOYSA-N	307.419	1.926	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(C(=O)NNc2ccccc2)cn1	771422676	HXTFMZFXKBHGTA-UHFFFAOYSA-N	320.374	1.089	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1csc(C(C)C)n1	772076529	PZODYAXAWYOXER-QMMMGPOBSA-N	313.379	1.369	50	20	DDGD	
CSCCNC(=S)NNC(=O)C[C@H](C)c1ccncc1	770240773	RCWCKABINYZDDB-JTQLQIEISA-N	312.464	1.434	50	20	DDGD	
C=Cn1cc(C=NNC(=O)C(=O)Nc2ccc(C)c(C)c2)cn1	773023219	BUDZIFKBFMPRNW-UHFFFAOYSA-N	311.345	1.689	50	20	DDGD	
CCC(CC)n1ccc(C(=O)NNC(=O)CC(F)(F)F)n1	771000534	ZZXZYDTUTXHQPP-UHFFFAOYSA-N	306.288	1.958	50	20	DDGD	
CCn1nncc1C(=O)NNC(=S)Nc1ccc(C)c(C)c1	873761473	AUYFCTWJYLUJSL-UHFFFAOYSA-N	318.406	1.546	50	20	DDGD	
CO[C@@H]1CCC[C@H]1CNC(=O)NNC(=O)c1ccccc1C	774659185	MCJCSKPGISFKIU-GXTWGEPZSA-N	305.378	1.754	50	20	DDGD	
O=C(COc1cccnc1)NNc1ccnc(Br)c1	771549693	VEYVDUFSJPBGHN-UHFFFAOYSA-N	323.150	1.761	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)OC[C@]2(C)C[C@@H]2Br)C1	1123039401	NVGNSRLTNLIZHX-GVXVVHGQSA-N	318.211	1.962	50	20	DDGD	
Cc1nn(C)c(=O)c(C(=O)NNc2ccc3ccccc3n2)c1C	777464371	LEASCRXPSGWLSP-UHFFFAOYSA-N	323.356	1.702	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CCc1ccoc1	772184940	QPPXKAIXFZOQEY-NSHDSACASA-N	310.350	1.337	50	20	DDGD	
CC[C@H](CO)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	779724280	JNHOQOARZXDUBO-DLUQRMLASA-N	308.422	1.759	50	20	DDGD	
C[C@H](CBr)COC(=O)CNC(=O)c1ccccc1	770312217	FBPORYJVBPYEED-SNVBAGLBSA-N	314.179	1.991	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cc(Cl)ccc1[N+](=O)[O-]	779824105	YKNBIXNFANZJEY-UHFFFAOYSA-N	314.685	1.054	50	20	DDGD	
O=S(=O)(CCl)N1C[C@H]2CN(c3ccccc3)C[C@@H]2C1	882344752	QWCQYIODFSHFGX-VXGBXAGGSA-N	300.811	1.581	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)n1cc(-c2cccc(Cl)c2)nn1	881293371	OKZXIXRZZAERMQ-VIFPVBQESA-N	321.768	1.717	50	20	DDGD	
CO[C@H]1CCC[C@@H]1CNC(=O)NNC(=O)c1cccc(C#N)c1	774698805	FLUQIQLMMIUKCS-KGLIPLIRSA-N	316.361	1.317	50	20	DDGD	
CCn1cc(-c2n[nH]cc2C(=O)NNc2cccc(C#N)c2)cn1	779008106	DTGQODJBEPYJEQ-UHFFFAOYSA-N	321.344	1.922	50	20	DDGD	
CC1(C)CN(S(=O)(=O)CBr)C(C)(C)CO1	782444267	IRHBCRNXEQQZBC-UHFFFAOYSA-N	300.218	1.558	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CO[C@@H](C)C2)c1	784154444	SMXNRUVCXRZPNK-JQWIXIFHSA-N	303.387	1.411	50	20	DDGD	
COC1(C(=O)NNc2oc(C(C)C)nc2C#N)CCOCC1	786020643	WZCCERXXHGEYBH-UHFFFAOYSA-N	308.338	1.308	50	20	DDGD	
C[S@@](=O)c1ccc(C(=O)NNc2ncncc2Cl)cc1	781833705	KNXXHEUUUMLQRV-HXUWFJFHSA-N	310.766	1.624	50	20	DDGD	
COc1cccc(NNC(=O)[C@H](NC2CCOCC2)C(C)C)n1	780767835	AHUBDTUOQXTBHW-OAHLLOKOSA-N	322.409	1.327	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(C)nc3[nH]nc(C)c23)nc1	781534948	UCPYXUWLHYJDFY-UHFFFAOYSA-N	312.333	1.735	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NCCn2cncn2)cc1	780831538	ZXMNQBAKDXEXSN-UHFFFAOYSA-N	302.382	1.902	50	20	DDGD	
CCN(CC)C(=O)N1CCC(C(=O)N2CC=C(C#N)CC2)CC1	780687884	OLCXWTIZHOKGSV-UHFFFAOYSA-N	318.421	1.842	50	20	DDGD	
CCCc1nnc(S)n1CC(=O)NNc1ccnc(F)c1	781366559	KSTJBJHRGWGHHV-UHFFFAOYSA-N	310.358	1.197	50	20	DDGD	
O=C(NN=Cc1cn(-c2ccc(F)cc2Cl)nn1)C(F)F	782236007	YWOXWFMXTMWKNI-UHFFFAOYSA-N	317.658	1.775	50	20	DDGD	
CSc1ccccc1S(=O)(=O)NNC(=O)NC(C)C	780384810	VCGCJPNJVQIGEK-UHFFFAOYSA-N	303.409	1.309	50	20	DDGD	
CO[C@]1(C)C[C@H](N(C)S(=O)(=O)CBr)C1(C)C	782461798	UUPVRKSZSGABNS-WCBMZHEXSA-N	314.245	1.804	50	20	DDGD	
CC1(C)CC[C@H](C(=O)NNc2nccc(N3CCOCC3)n2)C1	782125612	YCWVQWFQJYKQFW-LBPRGKRZSA-N	319.409	1.583	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc(-n3ccnc3)nc2)n1	899420347	AFJGWEJTPFLQAA-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCc2ccccc2F)n1	792765357	HJYKAALYFLMBOS-UHFFFAOYSA-N	316.336	1.716	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@@H]1[C@H]1CCCO1	792920945	HHFPMMXEDNJRGA-BFHYXJOUSA-N	311.426	1.212	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)NCC(F)(F)F)c1cccnc1	798315456	IHHXASZTKLWGQD-SNVBAGLBSA-N	318.299	1.714	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2c[nH]c3ccc(C#N)cc23)CC1	790175381	YOMCFIVHYZQOSO-UHFFFAOYSA-N	310.361	1.330	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNc1ccc(C(F)(F)F)nn1	793730868	YKDIHGHWKPFXBI-XVKPBYJWSA-N	306.288	2.000	50	20	DDGD	
CC[C@@H](C)n1ncc(NC(=O)NNC(=O)Cc2cc[nH]n2)c1C	792478028	IHSCOHKHCKHFOT-SECBINFHSA-N	319.369	1.281	50	20	DDGD	
CC(=NNC(=O)c1nnc(O)c2ccccc12)c1cnoc1C	799471213	ARWPXJBNEMWANA-UHFFFAOYSA-N	311.301	1.786	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N2CCC(F)(F)CC2)c1	792900798	PQFNKNFWZVCGIP-UHFFFAOYSA-N	308.288	1.644	50	20	DDGD	
CCC(=NNC(=O)N1CCN(C)CC1)c1ccc(N(C)C)cc1	790173892	JVLBMUHQYIIABQ-UHFFFAOYSA-N	317.437	1.824	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H](NC(=O)/C(C#N)=C/c2ccc(O)cc2)C1	1303782229	SZGRBBAOMUEZHR-SUHDFKPZSA-N	314.341	1.757	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)CC(=O)NNc1nncc(N)c1Cl	1319566732	LIRKMUWJUJVVQS-LURJTMIESA-N	324.772	1.954	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2nncc(N)c2Cl)cc1	1319217989	BCABAOPIARRJGQ-UHFFFAOYSA-N	321.724	1.256	50	20	DDGD	
CSc1ccc(NC(=O)C(=O)NNc2cccnn2)cc1	1320579589	BKJMUIBEFYQXHX-UHFFFAOYSA-N	303.347	1.280	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@]2(F)CCOC2)cc1C	1324099779	DRLVGUSIEWZHAD-OAHLLOKOSA-N	310.325	1.743	50	20	DDGD	
Cc1nn(C)c(Cl)c1C(=O)NNc1nc2ccccn2n1	1320695182	IKHUERZFWJMWKA-UHFFFAOYSA-N	305.729	1.182	50	20	DDGD	
COC(=O)C(=O)NN=Cc1cnn(-c2ccc(Cl)cc2)c1	1252511690	WWLJVTUAGMHVCW-UHFFFAOYSA-N	306.709	1.149	50	20	DDGD	
COc1ncc(C(C)=NNC(=O)C[n+]2ccccc2)cc1Cl	1257176462	JVOXMPQSNSNSCQ-UHFFFAOYSA-O	319.772	1.572	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CC2(CC(=O)O)CCC2)cc1	1261389622	OQULBLUBCZIZHC-UHFFFAOYSA-N	320.345	1.491	50	20	DDGD	
COCCCOc1cccc(C=NNC(=O)c2cccnn2)c1	1262038018	UCPGPIFGBPUYAD-UHFFFAOYSA-N	314.345	1.656	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2sc(C)nc2C)cc1	1353386013	FOUBXQZCKWOCBS-UHFFFAOYSA-N	319.386	1.772	50	20	DDGD	
CCOCCOCC(=O)NNc1ccc(F)c(C(=O)O)c1	1605637963	AXGDOVRKRGMCPX-UHFFFAOYSA-N	300.286	1.020	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CSCCS2)c(F)c1	1608904487	VNTARIZIWKSVLN-JTQLQIEISA-N	316.379	1.816	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccc(C(=O)O)n1C	1604020491	KNMLVXVWLUXRKV-UHFFFAOYSA-N	303.322	1.394	50	20	DDGD	
O=C(NNc1cc(F)cc(F)c1F)c1ccc(C(=O)O)nc1	1601554109	KMBUFGWCMABJGK-UHFFFAOYSA-N	311.219	1.954	50	20	DDGD	
O=C(O)C(=O)NN=C1CCCc2ncc(C(F)(F)F)cc21	1608530916	MMTFTIQZIGCVDQ-UHFFFAOYSA-N	301.224	1.342	50	20	DDGD	
CCNC(=O)N(C)N=C(CC)c1ccc(-c2nn[nH]n2)cc1	1604353330	ADGPCAXQVDXOLQ-UHFFFAOYSA-N	301.354	1.642	50	20	DDGD	
O=C(CCNC(=O)c1ccco1)NNc1ccccc1C(=O)O	1601278153	SBWQOOCJXAHFFP-UHFFFAOYSA-N	317.301	1.241	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1cccc(-n2cccn2)n1	1601561343	BMXFNMUVHCDEDR-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
C[C@H](CC(=O)O)NC(=O)NNc1cc(C(F)(F)F)ccn1	1609885654	PJYDYZUHOPGGJL-ZCFIWIBFSA-N	306.244	1.590	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@H](O)C1CCCCC1	1610285813	MIPFABGGIIORKV-AWEZNQCLSA-N	322.361	1.778	50	20	DDGD	
CSc1cccc(NNC(=O)[C@H]2CN3CCN2C[C@@H]3C)c1	1548673007	XLXQFBSISWUKPD-SMDDNHRTSA-N	306.435	1.240	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1ccc(OC(F)F)c(F)c1	1610783826	SYIOVFKFAOQFEF-UHFFFAOYSA-N	305.212	1.145	50	20	DDGD	
Cc1[nH]c(C(=O)NNC(=O)Nc2ccccc2)c(C)c1C(=O)O	1610401364	CELKIDKHNJABID-UHFFFAOYSA-N	316.317	1.796	50	20	DDGD	
CC1(C)COc2c(C(=O)NNC(=O)CCCCCN)cccc21	1576484410	WYARJECSCFSHCV-UHFFFAOYSA-N	319.405	1.637	50	20	DDGD	
O=C(NCc1cccc(C(=O)O)c1)NNC(=O)[C@@H]1CCCS1	1574819412	JIJHLVPJXXTLKB-NSHDSACASA-N	323.374	1.111	50	20	DDGD	
O=C(C(Cl)Cl)N1CC2(CCCN2C(=O)[C@@H]2CCOC2)C1	1846693439	RBDDKVZCKZRCMQ-SECBINFHSA-N	321.204	1.030	50	20	DDGD	
N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)NNC(=O)CCc1ccccc1	1580411568	BSYAQKNECIULDO-UGQVUOCMSA-N	301.390	1.140	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)[C@@H]1NCC[C@@H]2CCCC[C@H]21	1580505599	HASZLZQGDQLOSN-SQWLQELKSA-N	307.438	1.882	50	20	DDGD	
CC(C)(CCl)C(=O)N1CCCC12CN(C(=O)c1ncc[nH]1)C2	1841225654	SWQJJBVZUJLJIN-UHFFFAOYSA-N	324.812	1.492	50	20	DDGD	
O=C(NC[C@@H]1CCSC1)NNc1cccc(-c2nn[nH]n2)c1	1593044366	GQNYSXFIMPTUBY-VIFPVBQESA-N	319.394	1.246	50	20	DDGD	
CC/C=C(\F)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1590531761	GKIAGWKMFSNIBM-ALCCZGGFSA-N	309.305	1.685	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)C(=O)O)c2ccccc2n1	1594280968	CFCREAGVKRIDKZ-UHFFFAOYSA-N	315.329	1.415	50	20	DDGD	
O=C(NN=Cc1cc(Cl)ncc1C(=O)O)c1ccncc1	1776011512	LTNZKYRHMHZMHG-UHFFFAOYSA-N	304.693	1.592	50	20	DDGD	
O=C(NN=C[C@H]1C[C@@]12CCOC2)Nc1ccc(C(=O)O)cc1	1776046990	QUEOOBNAAJUAFJ-IAQYHMDHSA-N	303.318	1.919	50	20	DDGD	
Cn1cc(C(=O)C(=O)NNc2ccc(C(F)(F)F)cc2)cn1	153672956	JHDAAXOPEYSDOK-UHFFFAOYSA-N	312.251	1.765	50	20	DDGD	
CCCS(=O)(=O)CCN(C)NC(=O)OCc1ccccc1	859388227	MIEZXCBCQIBORA-UHFFFAOYSA-N	314.407	1.584	50	20	DDGD	
O=C(NNC(=O)c1cncc(Br)c1)c1ccccc1	6427002	LXTIJJYAUKKJAH-UHFFFAOYSA-N	320.146	1.919	50	20	DDGD	
O=C(NNC(=O)c1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1	7608793	RRMDFDFZIJVYNQ-UHFFFAOYSA-N	321.239	1.948	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCSc1ccccc1F	52935209	KVVJJFCOUWKRNN-UHFFFAOYSA-N	313.423	1.989	50	20	DDGD	
O=C(NCc1cc(F)ccc1F)NNC(=O)c1ccccc1O	105285612	XCBWTDZXZBGYOL-UHFFFAOYSA-N	321.283	1.815	50	20	DDGD	
O=C(NNc1ccccc1F)[C@@H]1CC[C@H](C(F)(F)F)NC1=O	178895067	ZWHVBXWJTSRVEZ-GMSGAONNSA-N	319.258	1.726	50	20	DDGD	
Cc1ccccc1NC(=O)C(=O)NNc1ccc([N+](=O)[O-])cc1	119125037	JXYKXXZCRGDNEN-UHFFFAOYSA-N	314.301	1.985	50	20	DDGD	
CCCCOCCCNC(=O)NNC(=O)Cc1cccnc1	103511165	RAIRLPKSOHMWSS-UHFFFAOYSA-N	308.382	1.161	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)c2cccc(OC(F)F)c2)cn1	103041888	YCZDJCCCAJBIAP-UHFFFAOYSA-N	322.271	1.461	50	20	DDGD	
CC[C@@H](C)CN(C)CC(=O)NNC(=O)Cc1nc(C)cs1	111253717	MTSNSHAJGUKBNO-SNVBAGLBSA-N	312.439	1.119	50	20	DDGD	
CC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1C	23198814	POVQJXNPPSYXIZ-AWEZNQCLSA-N	305.378	1.307	50	20	DDGD	
Cc1nc(C)c([C@H](C)N(C)CC(=O)NNC(=O)C2CC2)s1	112981489	HVPKVVCWQVSGFJ-VIFPVBQESA-N	310.423	1.310	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)ncn1	172271657	AYDYEWFABUOHHC-SNVBAGLBSA-N	317.315	1.502	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1csc(Cc2ccccc2F)n1	117772445	XFSNYRHJQGQAIZ-UHFFFAOYSA-N	322.365	1.789	50	20	DDGD	
Cc1cccc(C(=O)NNC(=S)NCc2ccccc2)n1	25574925	VEVICGVFWWOVGW-UHFFFAOYSA-N	300.387	1.699	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)NCCc2cccs2)n[nH]1	68456406	ZEMXSJHIGYDXQL-UHFFFAOYSA-N	321.406	1.781	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnn(-c2ccccc2C)c1	69696968	FOPQBBSUUDWCCN-UHFFFAOYSA-N	315.377	1.925	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CC(F)(F)F	122183654	AENARYZMCJFLKL-SSDOTTSWSA-N	308.231	1.693	50	20	DDGD	
CC[C@H]1CN(S(=O)(=O)CBr)[C@@H](CC)CO1	403887874	PYSIQCOCNUBTBW-IUCAKERBSA-N	300.218	1.558	50	20	DDGD	
NC(=O)c1ccc(OCCC(=O)NNc2ccnc(F)c2)cc1	182425989	DGAUTEWIFPKXBZ-UHFFFAOYSA-N	318.308	1.232	50	20	DDGD	
C#CCOc1ccccc1NC(=O)NNC(=O)Cc1cccnc1	188060242	OAEOQBNGBLTRAX-UHFFFAOYSA-N	324.340	1.489	50	20	DDGD	
C[C@H](CS(C)(=O)=O)C(=O)NNc1ccc(C#N)c(Cl)c1	182410758	UEUIZYDLVDXILR-MRVPVSSYSA-N	315.782	1.335	50	20	DDGD	
C[C@H](C(=O)NNc1cc(Cl)ccn1)N1CCSCC1	182947755	RNKKPKZZXGZPNE-SECBINFHSA-N	300.815	1.615	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNC(=O)CCOc1ccccc1	129182023	ZRLGLRPZIIGLOK-CYBMUJFWSA-N	308.378	1.808	50	20	DDGD	
O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)NNc1ccccc1Cl	182021530	MQBYSWXDTOVSGE-JTQLQIEISA-N	322.796	1.977	50	20	DDGD	
CC[C@H](C)[C@H](C)C(=O)NNC(=O)COc1ccccc1OC	183506965	LPURMZIQTRHDLC-RYUDHWBXSA-N	308.378	1.904	50	20	DDGD	
CC1CCC(N2C[C@@H](C(=O)NNc3ccncc3)CC2=O)CC1	180462759	ONKBNCGMJBUYOL-OWYJLGKBSA-N	316.405	1.952	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)C[C@@H]2C=CCCC2)cc1	188877416	GGJLZYKTXMZUNN-CYBMUJFWSA-N	313.357	1.831	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H]1Cc2cc(C)c(C)cc2O1	131837848	WTIFUNNJEGXEHR-CYBMUJFWSA-N	314.345	1.549	50	20	DDGD	
CC1(C)CCC(C)(C)c2cc(C(=O)NNC(=O)CO)ccc21	182747160	KBVZIBSGNYFVIZ-UHFFFAOYSA-N	304.390	1.789	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C\c1cncc(Br)c1	184748848	KUTFOAURBSUIPF-XXVIQQQLSA-N	324.178	1.902	50	20	DDGD	
CCCn1cc(NC(=O)NNc2nc3ccccn3n2)cn1	192291112	BHKXKKNDDLRAKL-UHFFFAOYSA-N	300.326	1.484	50	20	DDGD	
O=C(CCCc1ccccn1)NNc1nc2ccccc2c(=O)[nH]1	137159615	FWNZCGAUQBYZSG-UHFFFAOYSA-N	323.356	1.784	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1c(O)cccc1F	133495643	JMABHXWOVXLXJF-UHFFFAOYSA-N	323.349	1.780	50	20	DDGD	
CC(=O)NNC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1	194163491	DFTPZYVWSJORGP-HNNXBMFYSA-N	311.341	1.325	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3ccncc3)[nH]n2)o1	192652530	DFHOQELFOZJEDQ-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
O=C(C[C@H]1C(=O)Nc2ccccc21)NNc1nc2ccccn2n1	191909915	SIOCFLLWPIGXOF-LLVKDONJSA-N	322.328	1.298	50	20	DDGD	
CC(C)[C@H](SCc1ccccc1)C(=O)NNC(=O)C(C)(C)O	192926827	QDHIVQYZQNVENL-ZDUSSCGKSA-N	324.446	1.863	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@H]1C[C@@H]1c1cccc(F)c1	194518141	UUPMCZVISWUWHA-YPMHNXCESA-N	302.309	1.654	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CSc1ccc(Cl)cc1	191755594	JJURZXKJEZNFPN-UHFFFAOYSA-N	302.783	1.350	50	20	DDGD	
Cn1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(=O)n(C)c1=O	255683090	GLAKUVTYBXTBNY-YFHOEESVSA-N	307.313	1.024	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)COc1ccccc1CC	266603718	PVVQYDSAWOOPMP-UHFFFAOYSA-N	320.389	1.758	50	20	DDGD	
COc1ccc(CCNC(=O)/C(C#N)=C\c2cnnn2C)cc1	267487076	FBFJJKVMOOHYJX-LCYFTJDESA-N	311.345	1.090	50	20	DDGD	
COc1ccc(O[C@H](C)CNC(=O)NNC(=O)C2CCC2)cc1	266572004	OIYUQUHMSRZUME-LLVKDONJSA-N	321.377	1.593	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)COc2ccccc2OC)O1	268244372	AMZPNLILOAXSDL-FZMZJTMJSA-N	322.361	1.179	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ccc(Cl)nc1)N1CCCC1=O	266498325	DHWBRXKJLCHBAI-CYBMUJFWSA-N	310.785	1.825	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccnc(OC(C)C)c2)n1	268337107	KDOFWQBPEKNFPV-UHFFFAOYSA-N	317.349	1.733	50	20	DDGD	
CC[C@@H](C(=O)NNc1cccc([N+](=O)[O-])c1C)N1CCCC1=O	269635506	YHJRWEZELPFEIM-LBPRGKRZSA-N	320.349	1.747	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)CC(C)(C)C#N)cn1	278904662	YZHUBGIKXYGMCX-UHFFFAOYSA-N	307.379	1.348	50	20	DDGD	
CCn1c(NNC(=O)CC(C)(F)F)nc2ccccc2c1=O	277109479	QFTKTVAQCILNIH-UHFFFAOYSA-N	310.304	1.905	50	20	DDGD	
COCC[C@H](NS(=O)(=O)CBr)c1ccco1	272796634	KDTPCJMLGQBBDF-QMMMGPOBSA-N	312.185	1.629	50	20	DDGD	
COc1cccc(NNC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])n1	272469979	AAKZNLKANRLUTH-UHFFFAOYSA-N	320.309	1.602	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cnns1	277057728	JNMIQLSUNUJLMT-UHFFFAOYSA-N	321.406	1.907	50	20	DDGD	
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NNC(=O)C1CC1	273252530	WHPYYINNPYSLRM-UHFFFAOYSA-N	316.361	1.450	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)NNC(=O)c1cc(C)n[nH]1)C(F)(F)F	278457627	GWCZVRJTQLIACK-RCOVLWMOSA-N	321.303	1.639	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCCC1(C)CC1	279391539	AFHBGBHATAHLBF-UHFFFAOYSA-N	305.378	1.758	50	20	DDGD	
C#C[C@@H](C)NC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	274810125	OPQLAWOYJYWKFK-NXEZZACHSA-N	305.403	1.839	50	20	DDGD	
COC(=O)c1cc(S(=O)(=O)N2CC=C(C#N)CC2)cs1	273707767	PGGLYWSRKYEKRD-UHFFFAOYSA-N	312.372	1.379	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Nc1ccc(F)cn1	285462175	LNSUHUBMKFCFFV-UHFFFAOYSA-N	314.317	1.163	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@H]2CNC[C@H]2C1	289814998	ANFOZLGQXDCEPF-STQMWFEESA-N	310.829	1.420	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNc1nnc(-c2ccccn2)s1	281027031	QCISGLIKXRXBTC-CYBMUJFWSA-N	307.379	1.858	50	20	DDGD	
O=S(=O)(CBr)N1CCC[C@@H](OCC2CC2)C1	375316039	VFUBEMPIROBZEM-SNVBAGLBSA-N	312.229	1.560	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C[C@@H]2CCC[C@@H]2C)cc1	282778546	LFNKSLDHHOMOKZ-STQMWFEESA-N	317.389	1.907	50	20	DDGD	
CN(NC(=O)NC[C@@H]1CCCS(=O)(=O)C1)c1ccccc1	286826274	BGOVBOADKDNPJO-LBPRGKRZSA-N	311.407	1.162	50	20	DDGD	
CCN(CCOCCO)/C(=C/C#N)c1ccc([N+](=O)[O-])cc1	282067138	MYYONBKOVQWBGM-VIZOYTHASA-N	305.334	1.790	50	20	DDGD	
CN(NC(=O)NC[C@H]1CCCS(=O)(=O)C1)c1ccccc1	286826271	BGOVBOADKDNPJO-GFCCVEGCSA-N	311.407	1.162	50	20	DDGD	
Cc1nccc(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)n1	802117864	FVXVBJJXANWWEJ-UHFFFAOYSA-N	314.349	1.318	50	20	DDGD	
CN(C)C1(CNC(=O)NNc2ccc(Cl)nn2)CCCC1	298655906	OEOKTDZDVLAPCN-UHFFFAOYSA-N	312.805	1.631	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CCn3c(cnc3C)C2)cc1	290552170	SRESGWCGLUMYKK-LBPRGKRZSA-N	300.362	1.906	50	20	DDGD	
COC[C@H](C)OC(=O)/C(C#N)=C\c1ccc(OCC(=O)O)cc1	298570081	BOZFWOOGCUYSGJ-HKMIMPICSA-N	319.313	1.635	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)O1	802101306	JQVDCCPVENMJDL-JQWIXIFHSA-N	321.333	1.526	50	20	DDGD	
CC1(C)C[C@H]1CNC(=O)NNc1ccc(-n2ccnc2)nn1	805108834	KNFMYJGBUFVRGK-JTQLQIEISA-N	301.354	1.335	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1	298578039	DUZCGKYMRVQNRI-UWVGGRQHSA-N	323.353	1.088	50	20	DDGD	
CC(C)(CNC(=O)NNc1ccncn1)NC(=O)OC(C)(C)C	296375211	HJDHMNIJYSOKTR-UHFFFAOYSA-N	324.385	1.406	50	20	DDGD	
O=C(CC1OCCCO1)NNc1ccc(Br)nc1	801620511	FIFHUPYJSVPPHX-UHFFFAOYSA-N	316.155	1.440	50	20	DDGD	
COc1ccccc1C1(CNC(=O)NNc2ncccn2)CC1	299515799	CRAATXKGVSFPGC-UHFFFAOYSA-N	313.361	1.843	50	20	DDGD	
CSSCCNC(=O)Cc1csc(-c2nc[nH]n2)n1	803477598	GHWVUTYPPSLXFG-UHFFFAOYSA-N	315.449	1.598	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@@H]2CCCCO2)cc(C#N)n1C	299263137	ZHNXVWPBFGKAKM-KAMPRCONSA-N	312.373	1.797	50	20	DDGD	
COc1ccc(CC(=O)NNc2ccc([N+](=O)[O-])cc2C)nc1	805386556	GMGKZSRMJKIJFL-UHFFFAOYSA-N	316.317	1.993	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)C(=O)C(C)(C)C)cc1	802121345	ZFOITEUEQPGZCU-UHFFFAOYSA-N	306.366	1.521	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)NC1CCOCC1	806468004	QSUORHCRXCJPQG-UHFFFAOYSA-N	302.334	1.333	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2occc2Br)O1	294111359	FDIUCQRXYDESCQ-XPUUQOCRSA-N	317.139	1.371	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNC(=O)c2ccc(C)s2)c1C	291997507	BGAPBQDDYJWGGM-UHFFFAOYSA-N	320.418	1.893	50	20	DDGD	
C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NNc1c(F)cccc1F	291799204	KWBWQYNFTSFLSJ-OIBJUYFYSA-N	319.333	1.024	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)N[C@H](C)CCN(C)C)c1	297221422	MTNSNKTWKVUOBY-LLVKDONJSA-N	307.398	1.611	50	20	DDGD	
O=C(CCCOc1cccc(F)c1)NNC(=O)[C@@H]1CCCCO1	295328306	HAQGRMADUNWQGB-AWEZNQCLSA-N	324.352	1.701	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	298990355	QZSRPZRAQYAGBO-UHFFFAOYSA-N	319.314	1.090	50	20	DDGD	
COc1ccccc1C(=O)NCC(=O)NCC(Cl)Cl	294665437	LTMCKDIQODPHRR-UHFFFAOYSA-N	305.161	1.345	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)NCc2ccc([C@@H](C)O)cc2)O1	297518997	CNYLFLDMMMZIHU-WDMOLILDSA-N	321.377	1.138	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@H]1CCCCS1(=O)=O	816337262	NGNQZDVVRBKLJI-GFCCVEGCSA-N	316.354	1.245	50	20	DDGD	
CCOc1cc(C(=O)NN=C2COC2)cc(OCC)c1OCC	814698380	CDEUOJSCAZSALQ-UHFFFAOYSA-N	322.361	1.999	50	20	DDGD	
N#CSCCCNC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O	816538325	NGUSXVVIWKURGW-RYUDHWBXSA-N	323.418	1.272	50	20	DDGD	
CCOC(=O)c1ccc(C=NNC(=O)N=c2cc[nH]cc2)o1	815001264	BTBJJYVHAVSJHR-UHFFFAOYSA-N	302.290	1.429	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1[N+](=O)[O-])c1csnn1	814743263	BNDCQMGWFSWQHN-UHFFFAOYSA-N	321.318	1.366	50	20	DDGD	
O=C(CN1CC[C@H](C2CCCC2)C1)NNC(=O)c1ccccc1	817282156	BYFWUKNLYHQSFF-INIZCTEOSA-N	315.417	1.960	50	20	DDGD	
CCCCNC(=S)NNC(=O)Nc1ccc2c(c1)OCO2	813455915	YUDCTMXGGNNNDZ-UHFFFAOYSA-N	310.379	1.716	50	20	DDGD	
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NNc1nc[nH]n1	816631405	QHAYGFCOPCRJEL-UHFFFAOYSA-N	317.740	1.709	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@]2(C)CC2(F)F)c2ccccc21	817512128	DBZQVUOETGXBOF-AWEZNQCLSA-N	307.300	1.985	50	20	DDGD	
C[C@@H](CSc1ccc(F)cc1)C(=O)NNc1cnnn1C	816770786	LQKHCCVSIOHHJA-VIFPVBQESA-N	309.370	1.826	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1cnc(N(C)C)nc1	814763519	FBKHDRIRKRGUEA-CYBMUJFWSA-N	318.425	1.115	50	20	DDGD	
O=C(NNc1ncncc1F)c1cnn(Cc2ccccc2)c1	817079377	CROZUBFUQUKAKD-UHFFFAOYSA-N	312.308	1.617	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)COCc1ccccc1	812516576	SSDMMDVHXOMDCN-CHWSQXEVSA-N	308.378	1.269	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@@H]3CCN(C)C3)cc2C1	729282238	NDSVIMTYBLMUPI-GHMZBOCLSA-N	321.446	1.586	50	20	DDGD	
COc1ccc(NCC(=O)NN=C(C)c2csnn2)cc1	814708067	DCVQEVVGIUFEJH-UHFFFAOYSA-N	305.363	1.499	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Cc2cccnc2)c(C2CCC2)n1	819876522	UOLCLLRLVWKDQH-UHFFFAOYSA-N	313.361	1.086	50	20	DDGD	
CC1(C)Cc2cc(C=NNC(=O)C(=O)NC3CC3)ccc2O1	729143582	NGQKNEGYXHYKAK-UHFFFAOYSA-N	301.346	1.129	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)Cc2cn3ccccc3n2)CC=CCC1	826758422	LSJQRVSNZFGMQW-QGZVFWFLSA-N	312.373	1.771	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(C)c1	823474243	IDBWKVWRVVWKID-FZMZJTMJSA-N	306.362	1.119	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1	495367913	VMTOGKNVHOFUPP-UHFFFAOYSA-N	324.293	1.089	50	20	DDGD	
Cc1ccc([C@](O)(CC(=O)NN(C)[C@H](C)CO)C(F)(F)F)o1	823946682	MTVRKIDGFLJKKH-PRHODGIISA-N	324.299	1.072	50	20	DDGD	
CC[C@H](NS(=O)(=O)CBr)C(=O)OC(C)(C)C	828217988	VSQIEYDNSSHTKV-ZETCQYMHSA-N	316.217	1.379	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)C1(C)CCOCC1	726768127	MWSVBBHCCNHMIW-UHFFFAOYSA-N	316.361	1.220	50	20	DDGD	
Cc1cc(C(=O)NN(C)[C@H](C)CO)c2cnn(C(C)C)c2n1	823983144	LTTYASQTQGEVPQ-LLVKDONJSA-N	305.382	1.278	50	20	DDGD	
Cc1ccncc1[C@H](C)NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	826835257	JWIKJCADVJTAAD-SDDRHHMPSA-N	306.366	1.206	50	20	DDGD	
COC(=O)NNC(=O)c1csc(-c2ccc3c(c2)OCO3)n1	495367745	TXICUYTVRXYSNC-UHFFFAOYSA-N	321.314	1.540	50	20	DDGD	
CCN(CCO)NC(=O)c1ccn(-c2ccc(Cl)cc2)n1	823869980	UKUTYPFORWIZGC-UHFFFAOYSA-N	308.769	1.485	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2cccc(Br)n2)CO1	828439043	CGSNZLJEYFOJQB-YUMQZZPRSA-N	315.171	1.648	50	20	DDGD	
C#C[C@H](CC)NC(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	491766336	GYZVZOVSOVOMEI-CMPLNLGQSA-N	323.780	1.850	50	20	DDGD	
CCCN(NC(=O)CNCC(F)(F)F)C(=O)OC(C)(C)C	495828057	UEBSZURBJDPWPE-UHFFFAOYSA-N	313.320	1.817	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H](O)c1cccc(C(F)(F)F)c1	823884850	MHDZATIQAWCCCU-NSHDSACASA-N	306.284	1.084	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CCC1CC1	491439447	GTRXFCGJZAELSW-UHFFFAOYSA-N	314.386	1.032	50	20	DDGD	
Cc1ccc(C)c(C2=NO[C@H](C(=O)NNC(=O)CC3CC3)C2)c1	908448947	MVKRJTVLQHAYRE-HNNXBMFYSA-N	315.373	1.744	50	20	DDGD	
Cn1c(=NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)sc2ccccc21	905842698	DAYHXUHTAOBITQ-ZEGGKSINSA-N	301.371	1.397	50	20	DDGD	
O=C(CCOc1ccc(F)cc1Cl)N1CC[C@@H](B(O)O)C1	585077364	RPJSTNMJNOELMO-SECBINFHSA-N	315.537	1.323	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1cc(C)c(OC)cc1C	901966822	TUTQSKOZSPBHQA-UHFFFAOYSA-N	324.402	1.425	50	20	DDGD	
Cc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1cccc(B(O)O)c1	584952285	UDWNWCPRMGANFH-SJLPKXTDSA-N	309.174	1.135	50	20	DDGD	
Cc1cc(C(=O)NN(C)[C@H](C)CO)cnc1Br	823384322	IFBNGBTUMMCBAX-MRVPVSSYSA-N	302.172	1.110	50	20	DDGD	
Cc1nc(C)c([C@@H](C)N(C)CC(=O)NNC(=O)C(C)C)s1	827772794	WDLVBPVDNKLHKX-SNVBAGLBSA-N	312.439	1.556	50	20	DDGD	
C[C@H]1CCC[C@H](N2CCC(=NNC(=O)C(=O)NC3CC3)CC2)C1	733744828	SJHPJPKZTNYIGZ-WFASDCNBSA-N	320.437	1.412	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NOCC2CCC2)cc1C	824022880	ZODULZVRXDSYNW-UHFFFAOYSA-N	321.377	1.744	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2cccc(OC)c2C)n1	824140286	JMVLEBGRMZRKJV-UHFFFAOYSA-N	317.349	1.629	50	20	DDGD	
CCn1ccnc1CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	491102766	IVHUBMPHTGDANF-VGOFMYFVSA-N	322.372	1.645	50	20	DDGD	
CCOc1ccc(NNC(=O)CNC(=O)N2CCCC2)cc1	908419381	HRMLMNNEFGSWNF-UHFFFAOYSA-N	306.366	1.334	50	20	DDGD	
Cc1nc([C@@H]2CCCN2C(=O)c2ccc(B(O)O)cc2)cs1	584974767	QJCASVSCDXOOKU-AWEZNQCLSA-N	316.191	1.109	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccccc1OCC(C)C	732082340	AXOYNTWQMLWOKH-UHFFFAOYSA-N	316.361	1.828	50	20	DDGD	
O=C(Cc1cc(F)c(F)cc1F)NNC(=O)[C@@H]1CCCCO1	833246529	MBASJEFYGTZNDM-LBPRGKRZSA-N	316.279	1.363	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2	837382030	SJOJGDLVCWUJKC-BFHYXJOUSA-N	300.358	1.382	50	20	DDGD	
C=C[C@@H](CC)CC(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	909532164	IIOQENDRYGOZNJ-ZDUSSCGKSA-N	318.373	1.902	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc2c(c1)CCC2	831077362	KKKPUIQQSGYRBB-HZMBPMFUSA-N	303.362	1.753	50	20	DDGD	
Cn1cc(C=NNC(=O)c2cccc(C(=O)O)c2)c(C2CC2)n1	901264669	KFWPDEWSETVHTG-UHFFFAOYSA-N	312.329	1.760	50	20	DDGD	
CCS[C@@H]1CCC[C@@H](NC(=O)c2ccc(B(O)O)cc2)C1	584960480	LUIAZEJOZHAVPN-ZIAGYGMSSA-N	307.224	1.161	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2CCOc3c(F)cccc32)c1	585036299	DFAWZUAFAUQQHY-OAHLLOKOSA-N	301.126	1.119	50	20	DDGD	
CN1CCCC[C@@H]1CCOC(=O)/C(C#N)=C/c1cnn(C)c1	837970125	YFGQEQZNFPBHCW-AAWPKVBNSA-N	302.378	1.745	50	20	DDGD	
C=C(CC)CNC(=O)NNC(=O)c1c(C)nc2ccccn12	836190842	DCGSJTICPNREPB-UHFFFAOYSA-N	301.350	1.553	50	20	DDGD	
C[C@]1(C(=O)NN2CCc3ccccc3C2=O)C[C@H]1Br	907257369	NVLMZRXEHVTASC-RISCZKNCSA-N	323.190	1.890	50	20	DDGD	
CCC(=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1)C1CC1	736305315	UNAFNGVJBDBCOG-UHFFFAOYSA-N	314.349	1.538	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCc2nnnn2C)cc1	733417068	QQKOEUZOUTYHHB-XYOKQWHBSA-N	313.317	1.259	50	20	DDGD	
CC1(C)C[C@H]1CNC(=O)NNC(=O)COc1ccccc1O	732828236	QRCMGWKXVOHMCK-JTQLQIEISA-N	307.350	1.148	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cc2c(C)n[nH]c2C)c(F)c1	837211429	YYPLCZPDPPTIRE-UHFFFAOYSA-N	320.324	1.638	50	20	DDGD	
C[C@@]1(C(=O)NNc2ccccc2S(C)(=O)=O)CCCCO1	837478332	CSDLRIQSKLXIPL-AWEZNQCLSA-N	312.391	1.492	50	20	DDGD	
CCn1c(NNC(=O)C[C@@H](C)OC)nc2ccccc2c1=O	749567580	PPGWOZFNRNZRHJ-SNVBAGLBSA-N	304.350	1.285	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)CCCN2C(=O)CCC2=O)c1	748382741	XWCMODZHUJZAMS-UHFFFAOYSA-N	303.362	1.676	50	20	DDGD	
COCCn1cc(C(=O)NCC(Cl)Cl)c(=O)cc1C	846143787	HJDDFQJHQRBGJB-UHFFFAOYSA-N	307.177	1.337	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)NCc2cocn2)cc1	743598849	KDGIWFVTYHWJCZ-UHFFFAOYSA-N	318.337	1.277	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1cccc(F)c1N	848408577	SIDCOEPEOCZGHJ-UHFFFAOYSA-N	310.329	1.383	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1CCO[C@H](c2ccccc2)O1	847687718	UUVQFRVNRVXHMU-JSGCOSHPSA-N	307.350	1.183	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@]2(C)CCc3ccccc3C2)cn1	742688536	ZVJDIJYGDPPXNM-QGZVFWFLSA-N	312.373	1.376	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1c1ccncc1	845296833	OTPCSKSHAFJBSW-OLZOCXBDSA-N	306.366	1.290	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCC(C)(C)c1ccc2c(c1)OCO2	746733077	KNAFBDYKTPLFEN-UHFFFAOYSA-N	321.377	1.679	50	20	DDGD	
Cc1c(NNC(=O)c2cc(C(N)=O)c[nH]2)cccc1[N+](=O)[O-]	748685445	LCVRDXLLQWQQBV-UHFFFAOYSA-N	303.278	1.087	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C(=O)OC(C)(C)C)C(C)C	843790990	AACJZAUZJSUUPK-LLVKDONJSA-N	324.381	1.093	50	20	DDGD	
O=C(NN=C1CCN(C2CCCCC2)CC1)c1ncccn1	841662491	LRWIBGLRXGRHDB-UHFFFAOYSA-N	301.394	1.991	50	20	DDGD	
Cc1ccc([C@H](C)[C@H](O)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	843978083	ITPDGYOVVUXOPH-MXYBEHONSA-N	320.389	1.032	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1ccc2c(c1)CCN2	841276931	VTEVUFMYQKUSOB-CYBMUJFWSA-N	304.350	1.376	50	20	DDGD	
O=C(NC[C@H]1CNCCO1)NNc1c(F)cccc1Cl	842010462	ICCWIOPADKUBDJ-MRVPVSSYSA-N	302.737	1.094	50	20	DDGD	
CCC(CC)(C(=O)NN(C)CCOC)C(=O)OC(C)(C)C	846122159	JLWOPTWVBXAMFQ-UHFFFAOYSA-N	302.415	1.744	50	20	DDGD	
COc1cc(C(=O)NN=Cc2ncnn2C)ccc1OC(C)C	842520670	OWAJBOWAOSEPQX-UHFFFAOYSA-N	317.349	1.375	50	20	DDGD	
O=C(NN=C1CCSc2c(F)cccc21)C(=O)N1CCCC1	748136578	NFCGNIOLBIKODH-UHFFFAOYSA-N	321.377	1.764	50	20	DDGD	
CC[C@H](C)c1nc(C)c(CC(=O)NN(C)C[C@H](C)O)c(C)n1	910140511	IQZSPBJDBDSFTQ-QWRGUYRKSA-N	308.426	1.493	50	20	DDGD	
CCOc1ccc(NNC(=O)NC[C@H]2CC(=O)N(CC)C2)cc1	845488291	STOPGBBKLBEOHJ-GFCCVEGCSA-N	320.393	1.580	50	20	DDGD	
COc1ccc(C(=O)N(C)CC(Cl)Cl)cc1OCCO	848082855	AXAQSKSREGWKPQ-UHFFFAOYSA-N	322.188	1.942	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCC2CC2)cc1[N+](=O)[O-]	746592002	KYSZHJQMBAVBRR-UHFFFAOYSA-N	306.322	1.511	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCO[C@H]1c1ccncc1)c1ccccn1	845072617	OICFNUPMNXJRHO-OCCSQVGLSA-N	312.329	1.015	50	20	DDGD	
COc1nc2sccn2c1C=NNC(=O)Cc1ccncc1	747641805	KNOYBTCLYZTOIW-UHFFFAOYSA-N	315.358	1.492	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CCCN)ccc1C(F)(F)F	841131009	XWYURNNNYIJBAU-UHFFFAOYSA-N	318.299	1.905	50	20	DDGD	
CCCc1ccccc1NC(=O)NN(C)C(=O)N1CCNCC1	841029952	POVJHRSVTDGVJJ-UHFFFAOYSA-N	319.409	1.633	50	20	DDGD	
C[C@@H](CCN)NC(=O)NNc1cccc(Br)n1	841968545	ZWPXJOOUROUEBD-ZETCQYMHSA-N	302.176	1.208	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1[C@@H]2CCCO[C@@H]2C1(C)C	743430938	NIXUYYXPISHECI-IPYPFGDCSA-N	323.437	1.262	50	20	DDGD	
Cc1noc(C2CCC(=NNC(=O)[C@H]3CCO[C@H]3C)CC2)n1	842562825	ZJNNSESIMASRMT-NTPLCPOISA-N	306.366	1.933	50	20	DDGD	
C#CCCCNC(=O)NNC(=O)CSc1ccc(C)cc1	745899661	IKNIIHFBIOUGTG-UHFFFAOYSA-N	305.403	1.831	50	20	DDGD	
CC(=O)N[C@H](C)C(=O)NNC(=O)Nc1ccc(C)cc1Cl	743825649	WOLGJXXSTLRUNH-MRVPVSSYSA-N	312.757	1.326	50	20	DDGD	
O=C(NCC[C@@]1(O)CCCOC1)NNc1ccc(Cl)nc1	845716152	SNTNSWDGNUNYEX-ZDUSSCGKSA-N	314.773	1.293	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CCCCCS(N)(=O)=O	848083177	NNZDSDIXMJZRIK-UHFFFAOYSA-N	305.227	1.097	50	20	DDGD	
COc1nccnc1NNC(=O)CCNc1ccccc1C	840572094	PWDNTCFHKRXTDD-UHFFFAOYSA-N	301.350	1.739	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=S)Nc1ccc2c(c1)OCO2	843277349	OYNLTBRYMVGRLO-PSASIEDQSA-N	323.374	1.158	50	20	DDGD	
CCCNC(=O)NNC(=O)CC[C@H]1Cc2ccccc2NC1=O	921040753	BRXPZAVEOPLJJH-LBPRGKRZSA-N	318.377	1.318	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccccc1SC1CCCC1	755720498	OCTWZUSYRZZNLL-UHFFFAOYSA-N	309.391	1.866	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2ncnc3[nH]cnc23)c2ccccc21	750793446	AXWIJURCHTYOLV-NSHDSACASA-N	323.360	1.420	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)NCC1(C2CC2)CC1	752245419	AURXICIASOIEEM-UHFFFAOYSA-N	323.418	1.906	50	20	DDGD	
O=C(COC(=O)C1CC(F)(F)C1)NNC(=O)c1ccccc1	754118630	IOPPKMFSQNPMLT-UHFFFAOYSA-N	312.272	1.036	50	20	DDGD	
COc1cccc(OC)c1CC(=O)NNC(=O)c1cccnc1	756901961	WTYZNUZUZZBEFI-UHFFFAOYSA-N	315.329	1.103	50	20	DDGD	
CC(C)(O)CC(=O)NNc1cc(C#N)ccc1Br	855617780	LCGHVFJVHWCDCV-UHFFFAOYSA-N	312.167	1.925	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNc2nc(-c3cccnc3)no2)[C@@H]1C	859314867	AVSMXXUUCXTTHX-DTHBNOIPSA-N	317.349	1.634	50	20	DDGD	
N#CSCCCNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1	854362906	GYRJNWCCURCWQS-LBPRGKRZSA-N	318.402	1.151	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ncccc2Cl)CCCC1	857127016	JPTWDZXDPWKKHR-UHFFFAOYSA-N	317.798	1.536	50	20	DDGD	
CCN(CC)C(=O)CNC(=O)NNc1cc(F)cc(Cl)c1	853485723	OJMXVHZSROVAHY-UHFFFAOYSA-N	316.764	1.974	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1cc(F)c(F)c(F)c1	756709364	LVJPZOQMSLGBQJ-UHFFFAOYSA-N	311.223	1.360	50	20	DDGD	
O=C(NNc1ccc(F)cn1)NC1CCN([C@H]2CCOC2)CC1	852637079	RNNYHPCIGBUEMZ-ZDUSSCGKSA-N	323.372	1.100	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCc1cc(=O)c(O)co1	754545166	HYISFINTCAGANZ-VZUCSPMQSA-N	313.265	1.701	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccc[nH]2)c1OC(C)C	854278710	ATPZCERJPCKBAZ-UHFFFAOYSA-N	317.345	1.885	50	20	DDGD	
N#CC[C@@H]1CCCN(C(=O)NNC(=O)c2ccc(C#N)cc2)C1	852029544	LXPYZQRWRAJRJF-ZDUSSCGKSA-N	311.345	1.538	50	20	DDGD	
CC1(C)CCC[C@@H](C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1	752728137	VPORUEUSRILKEU-VXGBXAGGSA-N	315.439	1.675	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCc2c(F)cc(F)cc21	752732316	RMVMHOXFDFMRGG-VIFPVBQESA-N	312.316	1.783	50	20	DDGD	
CC1CCN(C(=O)C(=O)NC[C@@]2(C)C[C@H]2Br)CC1	857091542	HNRQOTOBOGERSA-ZWNOBZJWSA-N	317.227	1.535	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccnn1CCc1ccccc1	856757954	WMMCYPUTQNLMFR-UHFFFAOYSA-N	300.362	1.543	50	20	DDGD	
Cn1c(=O)oc2cc(C=NNC(=O)CNc3ccccc3)ccc21	754910468	OZNBYQNNGXMOQE-UHFFFAOYSA-N	324.340	1.694	50	20	DDGD	
CNC(=S)N(C)NC(=O)C[C@@H](C)Cc1ccccc1OC	854923603	BKFJISUCSFYTPV-NSHDSACASA-N	309.435	1.731	50	20	DDGD	
O=C(NN=Cc1cc(Cl)ccc1O)C(=O)Nc1ccccn1	758379405	AIDRFAWALXMAAZ-UHFFFAOYSA-N	318.720	1.529	50	20	DDGD	
Cn1ncc(Br)c1C(=O)NCCCSC#N	854366709	DXYPFDJSZQQNMV-UHFFFAOYSA-N	303.185	1.517	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCS[C@@H](C)CC1	755199864	QWPZSYVJDSIGNH-NWDGAFQWSA-N	301.456	1.396	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N(C)C)cnc1Br	931119120	KMHKVDYIMOHRBB-UHFFFAOYSA-N	301.144	1.069	50	20	DDGD	
Cc1ccc2c(c1)OCCCC2=NNC(=O)C(=O)NC(C)C	763153437	OBGQSBZLPAVOPU-UHFFFAOYSA-N	303.362	1.513	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@]1(NC(=O)OC(C)(C)C)CC1(F)F	868241806	ZIJIPURROSNLCB-LLVKDONJSA-N	323.296	1.018	50	20	DDGD	
CCn1[nH]c(C)nc1=NC(=O)NNc1c(F)cc(F)cc1F	931757090	OTSQGEXPQMZOAG-UHFFFAOYSA-N	314.271	1.594	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)COc1ccc(C)c(C)c1	864462610	NRYGZPWYVSGFRU-UHFFFAOYSA-N	308.378	1.645	50	20	DDGD	
CN(C)[C@H]1CCCN(S(=O)(=O)CC(C)(C)CCl)CC1	867192180	WRINWUSIHFJKCS-LBPRGKRZSA-N	310.891	1.997	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1sccc1OC	769791662	RBICHSMMISPZIX-JTQLQIEISA-N	300.380	1.648	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)N[C@H]1CCOC2(CCC2)C1	769190137	QYWXJYLYQWBBDC-ZDUSSCGKSA-N	318.377	1.056	50	20	DDGD	
COc1ccc(NNC(=O)CCn2ccnc2)c([N+](=O)[O-])c1	768331896	LHMUOEFXPQIYJM-UHFFFAOYSA-N	305.294	1.333	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2csc(C3CC3)n2)n[nH]1	869012407	PRPKGYZXNCUASB-UHFFFAOYSA-N	305.363	1.056	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H]2CCC(=O)[C@H](C)C2)n1	764655970	PWRMHNVVONLJSA-VXGBXAGGSA-N	319.409	1.771	50	20	DDGD	
CC(=O)OCCc1cccc(NC(=O)NNC(=O)C(C)C)c1	764697994	BKCCXJWPGBRMHY-UHFFFAOYSA-N	307.350	1.601	50	20	DDGD	
COC(=O)NNC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1	765853455	AEFKTGVFUNOHAV-VIFPVBQESA-N	301.343	1.067	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNC(=O)CC(F)(F)F	763959751	UYLFQWUJUDGVDF-ZCFIWIBFSA-N	306.288	1.620	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1	764596990	ZVGPDYQQNVYOQH-UHFFFAOYSA-N	318.293	1.850	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2cnc(C3CC3)nc2N)c1	862480099	NPKZIJBSLJWFKV-UHFFFAOYSA-N	317.374	1.381	50	20	DDGD	
CC(=NNC(=O)NCC(F)(F)F)c1cccc(C(=O)O)c1	764681336	HYMJAMRVDKHXDZ-UHFFFAOYSA-N	303.240	1.970	50	20	DDGD	
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)NC1CC1	765414366	RGKTUHUMUBHBRC-NSHDSACASA-N	320.349	1.656	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2ccc(Cl)c([N+](=O)[O-])c2)n[nH]1	767395531	BCLXWPHDRPRQST-UHFFFAOYSA-N	321.724	1.973	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H]2CCC(=O)[C@H](C)C2)c1	763259006	QDYFNUGGBCUWJQ-CHWSQXEVSA-N	318.373	1.527	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H]2CCN(C3CCCCC3)C2)cc[nH]1	875743326	TVIVXPWKWFRHAG-OAHLLOKOSA-N	317.437	1.845	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1	878306756	GYQFZQYTPDFAJA-CYBMUJFWSA-N	323.349	1.979	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNC(=O)c1ccc(CC)cc1)C(C)C	873799355	ZKGWWEGVCRIALR-CQSZACIVSA-N	320.389	1.845	50	20	DDGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1C=NNC(=O)CO	776781472	FJAUJQMDWRZSPI-UHFFFAOYSA-N	320.780	1.644	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C2CCN(C)CC2)c1	873775417	FWBIGTNCHNBIIW-UHFFFAOYSA-N	306.435	1.654	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1c2c(nn1C)CCCC2	772870276	NNECEQICIZTIJC-UHFFFAOYSA-N	314.393	1.969	50	20	DDGD	
CCCSCC(=O)NNC(=O)c1cncn1-c1ccccc1	1115866065	KSYJKGGKKXTFCN-UHFFFAOYSA-N	318.402	1.777	50	20	DDGD	
COCCn1nc(C(=O)NNc2c(C)cccc2F)ccc1=O	771708970	XZRZHDOHTFSOPF-UHFFFAOYSA-N	320.324	1.094	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1O	779509123	KLHHZMCZFZKFPG-OAHLLOKOSA-N	312.325	1.465	50	20	DDGD	
Cc1c[nH]cc(C(=O)NNC(=O)c2c[nH]c3ccccc23)c1=O	777791046	CLAIZOGVWIQTEX-UHFFFAOYSA-N	310.313	1.239	50	20	DDGD	
C[S@@](=O)c1cccc(NC(=O)C(=O)NNc2ccccc2)c1	775530185	VDJVSMPPBBCQSY-JOCHJYFZSA-N	317.370	1.506	50	20	DDGD	
CO[C@@H](CNC(=O)NN=c1cc[nH]c(C)c1)Cc1ccccc1	875630743	FEIRQPHXGUNHAT-MRXNPFEDSA-N	314.389	1.696	50	20	DDGD	
CC[C@@H](C(=O)OC[C@@H](C)CBr)N1CCCC1=O	770389178	CPUOTFOZXVAVDS-UWVGGRQHSA-N	306.200	1.962	50	20	DDGD	
O=C(NCCn1ccc(C(F)(F)F)n1)NNc1ccncn1	873152313	KQDPXGPQZMKNDH-UHFFFAOYSA-N	315.259	1.018	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NC2CC(C)(C)CC(C)(C)C2)cn1	776931328	DTVCWVVUNDNTLB-UHFFFAOYSA-N	321.425	1.969	50	20	DDGD	
CC1CCC2(CC1)OC[C@@H](CNC(=O)NNC(=O)C(C)C)O2	776952214	OEVXDTCFGBURNQ-MQYJIDSJSA-N	313.398	1.295	50	20	DDGD	
COCCN(C)NC(=O)Nc1nnc(-c2ccsc2)s1	878410083	URLPDMMQIXPCCC-UHFFFAOYSA-N	313.408	1.881	50	20	DDGD	
O=C(CO)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1	776777213	MFTMBFXKLIYJHV-UHFFFAOYSA-N	305.315	1.766	50	20	DDGD	
CC[C@@H](C)Oc1cc(C(=O)NNc2ncc(F)cn2)ccn1	777426647	BMNBNMLPQXQVDG-SECBINFHSA-N	305.313	1.945	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccnn1	882060009	NIXZUKZHEWCTCN-DTWKUNHWSA-N	316.283	1.606	50	20	DDGD	
COc1cc(OC)c(NC(=O)NNc2ncccn2)cc1F	775670407	ODPQVGRCXXQWIV-UHFFFAOYSA-N	307.285	1.782	50	20	DDGD	
COCc1cc(NC(=O)NNC(=O)CC2CC2)ccc1OC	880666761	AUJUGEAPKLQVNB-UHFFFAOYSA-N	307.350	1.794	50	20	DDGD	
CC#CCCNC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	776206407	XTRXMOGIFMWLIF-LLVKDONJSA-N	307.325	1.337	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)/C=C/c1ccccc1	771892956	ZTQXICIQXRPVEH-LXKVQUBZSA-N	318.373	1.825	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@@H]2CCCCO2)cc1	772219733	KRVSDBMFQRQSFX-ZDUSSCGKSA-N	323.418	1.972	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2cn(C)nc2C2CC2)CC1	1120341152	ABUVQHUQCRRYSN-UHFFFAOYSA-N	317.437	1.870	50	20	DDGD	
CS(=O)(=O)Nc1ccc(COC(=O)/C(C#N)=C/C2CC2)cc1	786665500	GLHGSIWXDOPGJJ-MDWZMJQESA-N	320.370	1.961	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccc(Br)cc2F)n1	786428415	ZWDKUGNSZMXFRX-UHFFFAOYSA-N	314.118	1.474	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCc1nc(C2CCCC2)no1	780709669	RXTOTNRHCHDZNB-UHFFFAOYSA-N	309.370	1.352	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NNC(=O)c1cccc(F)n1	880770552	UDYAWMWLKYWBRY-OQPBUACISA-N	317.324	1.071	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(CC(F)F)C1CCC1	887100927	XPRSBGSSGXWMJU-SNVBAGLBSA-N	305.369	1.688	50	20	DDGD	
C[C@H]1CCCCN1[C@H](C)CNC(=O)NNc1ccc(C#N)cn1	887704962	BAFJBBSSMSLLNV-QWHCGFSZSA-N	316.409	1.842	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)c1cccc(C#N)c1)c1ccsc1	788399561	FXGDMQNBQZKPDA-ZDUSSCGKSA-N	315.354	1.768	50	20	DDGD	
CC(=O)N[C@H](CC(=O)NNc1ccnc(F)c1)c1cccs1	781358322	LVGRYMGRGBGDNH-LLVKDONJSA-N	322.365	1.993	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1nc2cccnc2s1	899995719	BVDQRWOEONXOPG-UHFFFAOYSA-N	309.420	1.599	50	20	DDGD	
CN1CCC(N(C)c2ccccc2C=NNC(=O)C(F)F)CC1	782235064	QNJYZFBNCSGDBJ-UHFFFAOYSA-N	324.375	1.932	50	20	DDGD	
CCOc1ccc(N2CCN(C[C@@H]3[C@@H](C)[C@H]3Cl)CC2)nn1	895466364	RZNGRVJAIIQDTK-LALPHHSUSA-N	310.829	1.871	50	20	DDGD	
C[C@@H](CBr)COC(=O)COCc1ccnn1C	792497565	IMGRKTSITBYLKZ-VIFPVBQESA-N	305.172	1.511	50	20	DDGD	
CC(=O)N1CCC(C(=O)NNc2cccc(F)c2[N+](=O)[O-])CC1	790585978	MDYDKXSTOHTXOM-UHFFFAOYSA-N	324.312	1.436	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)Cc1cn2ccccc2n1	793600099	QLQBBSJOXUYUEZ-IAQYHMDHSA-N	318.377	1.085	50	20	DDGD	
CCO[C@H](C)C(=O)NNC(=O)c1cc(C)nc2ccccc12	799009336	VAIAYLUVFVSLDN-LLVKDONJSA-N	301.346	1.729	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cc2nccnc2cc1F	792285191	MCVFINQTPQENRL-UHFFFAOYSA-N	302.244	1.455	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CCN(CC(F)(F)F)C2)nc1	792452269	YVDJVNQRWFPFGI-SECBINFHSA-N	318.299	1.418	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)c1cc(-c2ccccc2)on1	797608881	NZCSSMGZCRCYLJ-MRXNPFEDSA-N	317.345	1.918	50	20	DDGD	
CC(=NNC(=O)Cc1nc(C)cs1)C(C)(C)n1cncn1	794488988	VQAZXDFPOBXLKG-UHFFFAOYSA-N	306.395	1.513	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CSc1ccccc1O)n1ccnc1	1320385466	IZMMODBABOMPGI-SNVBAGLBSA-N	320.374	1.089	50	20	DDGD	
CC[C@H](C)C(=O)NN=Cc1sc(N2CCOCC2)nc1C	1321692279	ZQTNDMDICUMQAD-JTQLQIEISA-N	310.423	1.784	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H](C(=O)NNc1ccn(C)n1)C2	1321104511	IPVQIBOFCPKROA-NSHDSACASA-N	302.334	1.123	50	20	DDGD	
CN(C)[C@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccccc1O	1322740154	IBNROXZANDQKLD-OLZOCXBDSA-N	320.393	1.209	50	20	DDGD	
NC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccccc1Cl	1326131593	BCEQBKFPLBMPAU-ZWNOBZJWSA-N	324.812	1.802	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)C[C@H]2C)cc1	1323477137	RRSXNBBBFRCAHU-YGRLFVJLSA-N	304.346	1.462	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NC/C=C\C1CC1	1328211568	CACNJLUJXMYIRY-PLNGDYQASA-N	303.362	1.534	50	20	DDGD	
COc1ccc(C(=O)NN=C2CC(=O)N3CCCC[C@@H]23)cc1	1256575393	JVWJCGWGIAYJPG-AWEZNQCLSA-N	301.346	1.566	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)C)cnc1Br	1333326432	GOXMNKTVBKUPCG-UHFFFAOYSA-N	314.183	1.960	50	20	DDGD	
C[C@H](CCNC(=O)NNC(=O)C1CCNCC1)c1ccccc1	1345139975	DDYFRXCPAWRBMY-CYBMUJFWSA-N	318.421	1.510	50	20	DDGD	
COC(=O)N(C)NC(=O)CC[C@@H]1[C@H](C)Nc2ccnn2[C@@H]1C	1348622158	FXPQHOKJTMYJQI-HBNTYKKESA-N	309.370	1.384	50	20	DDGD	
CSCC1CCN(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CC1	1340266532	TWSXWDLZZFGWBI-CMPLNLGQSA-N	315.439	1.227	50	20	DDGD	
C[C@@]1(C(=O)N2CCc3c(O)ncnc3C2)C[C@H]1Br	1350718226	XDLOURUTGPBQDY-BXKDBHETSA-N	312.167	1.240	50	20	DDGD	
CC(C)(CNC(=O)NNc1ncncc1F)C1=CCOCC1	1514946015	HBFUIDSMJGRRFE-UHFFFAOYSA-N	309.345	1.615	50	20	DDGD	
CC(C)n1nccc1C=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1603435563	AWBBPXOXSNLWOH-UHFFFAOYSA-N	324.348	1.408	50	20	DDGD	
O=C(O)CCCCC(=O)NNC(=O)c1ccc(Cl)cc1F	1601982353	SNBONCAVSJBQGX-UHFFFAOYSA-N	316.716	1.885	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C/c1ccccc1-c1nn[nH]n1	1604234226	MOEJIVJUZMYSNX-DHZHZOJOSA-N	303.347	1.556	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)c(F)c1)Nc1ccc[n+]([O-])c1	1608481769	ONGBONURDYDIJG-UHFFFAOYSA-N	306.253	1.306	50	20	DDGD	
O=C(O)Cc1cccc(NC(=O)NNC(=O)c2ccccc2)n1	1608786702	PJVMPJXWMAPYMC-UHFFFAOYSA-N	314.301	1.175	50	20	DDGD	
O=C(NNc1cccc(F)c1Cl)c1cc(-c2nn[nH]n2)c[nH]1	1606861681	WSMMMACZDILHPQ-UHFFFAOYSA-N	321.703	1.744	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@@]12CCCN(CC1)C2	1602231386	ZNVYQPWVSDVZRL-HNNXBMFYSA-N	307.325	1.453	50	20	DDGD	
Cc1sc(C(=O)NNc2ccc(F)c(C(=O)O)c2)nc1O	1608059425	HGSVKXFBJLRTEK-UHFFFAOYSA-N	311.294	1.751	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccc(/C=C\C(=O)O)o2)n1	1600178799	LAXZAYROUXCIEV-RQVVINDJSA-N	316.317	1.341	50	20	DDGD	
C[C@]1(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)C[C@H]2CC[C@H]1C2	1603748900	ZUTNTGLKQNVVSG-ZSGNIPIJSA-N	313.365	1.531	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@@H]1C(=O)NN=Cc1cnsc1	1549904620	KQOYBVANGYUHJZ-RYUDHWBXSA-N	319.390	1.495	50	20	DDGD	
CO[C@H](C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)C1CCCC1	1549314507	LOBUULDOTBGHDV-ZNMIVQPWSA-N	309.410	1.157	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1nc(C)sc1C	1549312038	ACHUXCIFNYCEMI-QWHCGFSZSA-N	322.434	1.463	50	20	DDGD	
O=C(C1CCC(Cl)CC1)N1CCN(Cc2ncc[nH]2)CC1	1548645450	AKMFTGDLTZWHFJ-UHFFFAOYSA-N	310.829	1.852	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@H]1C(=O)NN=Cc1cnsc1	1549904340	IFICADXTILCKOD-YPMHNXCESA-N	319.390	1.495	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@]2(C(=O)O)CC2(C)C)c1	1574397375	PPAPCAHTUVNOGI-HNNXBMFYSA-N	321.402	1.814	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NC[C@@H]2CCCNCC2)nn1	1575274812	GAXDCQJYEDRYNA-GFCCVEGCSA-N	320.441	1.790	50	20	DDGD	
NC1(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)CC1	1574268681	FWAKPTMXUJZRPO-UHFFFAOYSA-N	315.329	1.111	50	20	DDGD	
CNNC(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C	1578741121	DKWKDROYPWNING-OWTLUSIOSA-N	302.378	1.442	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)[C@H]2CCCNC2)CCc2ccccc21	1576349716	HBHWJIGQUJLQKP-GUYCJALGSA-N	301.390	1.038	50	20	DDGD	
CC[C@@H](CNC(=O)N1C[C@H]2[C@H](Br)[C@H]2C1)C(=O)O	1589528754	MOYZNSILRDUDPY-RBXMUDONSA-N	305.172	1.132	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1ccc(F)c(C(=O)O)c1)[C@H]1CCCO1	1588373409	FWIJQJJLDICXMJ-CHWSQXEVSA-N	321.308	1.331	50	20	DDGD	
N[C@H]1CC=C(C(=O)NNC(=O)c2ccccc2Br)C1	1580168158	BYWIOZNSPKCWNM-VIFPVBQESA-N	324.178	1.258	50	20	DDGD	
CC(C)(C)C(=O)NN=Cc1c(F)cc(-c2nn[nH]n2)cc1F	1589084400	NKNDTMZPMFPPRS-UHFFFAOYSA-N	308.292	1.641	50	20	DDGD	
O=C(NNC(=O)c1csc(-c2nn[nH]n2)c1)c1ccccc1	1593159497	PGULBJQXEJKMRQ-UHFFFAOYSA-N	314.330	1.003	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C)c1cccc(-c2nn[nH]n2)c1	1590797230	MMZUSLFFANXZDB-QQMDNXKGSA-N	312.333	1.488	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1nccc(Cl)c1F	1595261505	CSVJUEDUWDLNBK-UHFFFAOYSA-N	310.672	1.724	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cccc(-c2nn[nH]n2)c1	1590687172	SVHDKVCMTQRAEP-UHFFFAOYSA-N	315.381	1.049	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@@H](CC)C(=O)O)cc1	1593635234	IJTWUMUIAWQUOS-LLVKDONJSA-N	307.350	1.304	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc(OCC(=O)O)cc1	1590233010	MZTLFDXQTIAIQH-UHFFFAOYSA-N	310.306	1.320	50	20	DDGD	
O=C(COc1cccc(Br)c1)NNC(=O)C1CC1	15507264	YWVKPBWRVNDFKU-UHFFFAOYSA-N	313.151	1.385	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccccc1)Cc1ccccn1	161165424	WEOSQDGIHYOSIY-UHFFFAOYSA-N	312.373	1.365	50	20	DDGD	
CCc1ncsc1C(=O)NNc1nc(-c2ccncc2)no1	158642144	PVJJSKXOPRHMSL-UHFFFAOYSA-N	316.346	1.907	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2cncc(F)c2)c1	164455492	NNPALBDYCNTOQH-UHFFFAOYSA-N	302.309	1.362	50	20	DDGD	
C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1ccc(CCCl)cc1	168099599	ABYPRKDOJIDRLJ-YPMLDQLKSA-N	323.867	1.513	50	20	DDGD	
CC(C)CC(=O)NCCC(=O)NNC(=O)Cc1ccccc1F	155081761	NHVCQGLQIZTMLC-UHFFFAOYSA-N	323.368	1.068	50	20	DDGD	
COc1cc(CCNC(=O)NNc2ccc(C)nn2)ccc1C	155096731	VUNIKKBIDIDEOB-UHFFFAOYSA-N	315.377	1.971	50	20	DDGD	
COc1ccc(NNC(=O)NCc2sc(C)nc2C)nc1	157408719	JTIGCIYBGCIJSK-UHFFFAOYSA-N	307.379	1.990	50	20	DDGD	
COC(=O)CSCCC(=O)NNc1c(F)cccc1F	156566343	BHAWABFLCRNLML-UHFFFAOYSA-N	304.318	1.704	50	20	DDGD	
O=C(CNC1CC1)NNc1c(F)cc(F)cc1Br	154457090	YBTMXWAERQZMAI-UHFFFAOYSA-N	320.137	1.922	50	20	DDGD	
Cn1ccnc1CNS(=O)(=O)c1ccc(CCCl)cc1	71273506	CXVYCFAUPGXPBQ-UHFFFAOYSA-N	313.810	1.680	50	20	DDGD	
CC(=O)N1CCN(S(=O)(=O)c2ccc(CCl)cc2)CC1	394402280	AQUKVLRESGLACG-UHFFFAOYSA-N	316.810	1.278	50	20	DDGD	
Cc1cc(C)n2nc(C(=O)NNc3ncccc3Cl)nc2n1	172267138	PSNYXAMBBVXINB-UHFFFAOYSA-N	317.740	1.546	50	20	DDGD	
COCCOc1ccc(NC(=O)NNC(=O)OC)cc1F	56772870	ZVQSZKUUKIFLLI-UHFFFAOYSA-N	301.274	1.243	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C1(c2ccc(Cl)cc2)CC1	109858423	XVKGMLAVEZFKAE-UHFFFAOYSA-N	318.764	1.864	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)COc1ccccc1F	58995593	SMJPGPRUEKODNR-UHFFFAOYSA-N	309.322	1.431	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CCc1ccc(OC(F)F)cc1	119523492	MEMPETKTASURQF-UHFFFAOYSA-N	315.320	1.959	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)/C=C/C2CCOCC2)c1	112162514	BYEKLJWBCFJZEW-VOTSOKGWSA-N	317.389	1.496	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@H](C(=O)NNc2ncccn2)C1	63286086	JULKMOFWXREKAF-NSHDSACASA-N	305.382	1.204	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc(C#N)c[nH]1	175144126	DKCLWPJCAMPHTC-VIFPVBQESA-N	316.292	1.254	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCCCNC(C)=O)c1ccccc1	111445074	GBMKWRWLGQZDAS-CQSZACIVSA-N	320.393	1.037	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCCCCOC)c1ccccc1	111456945	JQNVZDSDQWDKTM-AWEZNQCLSA-N	307.394	1.937	50	20	DDGD	
COc1ccnc(C(=O)NNC(=O)c2ccc(Cl)cc2F)c1	175830398	GOWJPFZTQVHMEB-UHFFFAOYSA-N	323.711	1.958	50	20	DDGD	
CN(C)N(C(=O)[C@@H]1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1	179371066	ZJOKBNBRKAXEJV-OLZOCXBDSA-N	316.467	1.695	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1ccc([N+](=O)[O-])s1	66784533	BICLJSJSVFQDRR-UHFFFAOYSA-N	323.305	1.799	50	20	DDGD	
CCOC(=O)NNC(=S)Nc1ccc2c(c1)OC(F)(F)O2	63540489	LLFATCLWPQEXRF-UHFFFAOYSA-N	319.289	1.956	50	20	DDGD	
C[C@H](OC[C@@H]1CCCCO1)C(=O)NNC(=O)OC(C)(C)C	66306921	ULVASBYMXFCJAR-QWRGUYRKSA-N	302.371	1.517	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccnn1C(C)C	121830659	DJHDWJDISUYHIH-UHFFFAOYSA-N	302.334	1.547	50	20	DDGD	
O=C(NNC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)c1cccnc1	215050810	NTQKGXGGDGKPCJ-VDQHWBOFSA-N	315.373	1.174	50	20	DDGD	
COc1cccc2[nH]cc(CC(=O)NNc3cc(C)ncn3)c12	181659374	HVPWFQVREKMWRV-UHFFFAOYSA-N	311.345	1.961	50	20	DDGD	
CN(CC(=O)NNC(=O)CCc1ccccc1)[C@@H]1CCSC1	129491458	WLJCHEXDLYXOPE-CQSZACIVSA-N	321.446	1.204	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccccc2-n2ccnn2)o1	183490996	YSPUKZHBIVWKGS-UHFFFAOYSA-N	311.301	1.244	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1cccnc1-c1ccc(C)s1	187546678	KBRBWJAJRAPPAU-UHFFFAOYSA-N	318.358	1.224	50	20	DDGD	
O=C(CCOCC(F)F)NNC(=O)c1cc2ccccc2o1	188966752	QESOUUWEKXXPRO-UHFFFAOYSA-N	312.272	1.866	50	20	DDGD	
CN(C)C(=O)CCCC(=O)NNc1cc(F)c(F)cc1F	127996045	NCOUTLSFLFMPSI-UHFFFAOYSA-N	303.284	1.806	50	20	DDGD	
CC1(C)CCCC[C@H]1CC(=O)NNC(=O)C(=O)N1CCCC1	120426813	JYSQVJUMSCBDDE-LBPRGKRZSA-N	309.410	1.363	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=O)CSc1ccccc1O	185964455	KJNINDJPDAEPPP-UHFFFAOYSA-N	306.387	1.681	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)NC[C@H]2C[C@@H]2C)cc1	47099120	CUZJZMBYFFKFKM-WDEREUQCSA-N	307.350	1.060	50	20	DDGD	
COc1ccncc1NC(=O)C(=O)NNc1ccc(C)cc1	131440383	TYIOBKJUPWSEPS-UHFFFAOYSA-N	300.318	1.480	50	20	DDGD	
CC(C)(C#N)C(=O)NNC(=O)c1cccc(Br)c1	80965726	POYSZABHQXDVBE-UHFFFAOYSA-N	310.151	1.760	50	20	DDGD	
O=C(NNc1nc2ccccc2c(=O)[nH]1)c1ccc(F)cc1F	137175670	FOAYFMQCMRPDCU-UHFFFAOYSA-N	316.267	1.958	50	20	DDGD	
CS[C@H](C)C(=O)NNC(=S)NCCc1cccs1	49087589	VKHNRAKTGDEVHV-MRVPVSSYSA-N	303.478	1.537	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)c1n[nH]c2c1CCC2	132774961	COMGOVFVCSSBMW-UHFFFAOYSA-N	300.347	1.660	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccccc1Nc1ccccc1	190046708	IIBTYYZYHMIUNH-UHFFFAOYSA-N	313.357	1.962	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)c1cc(C)n[nH]1)c1ccccc1F	192196333	YZWFZHBDPKQAEV-HNNXBMFYSA-N	320.324	1.180	50	20	DDGD	
O=C(NCCOc1cccc(Cl)c1)NNC(=O)c1ccc[nH]1	193338678	YPTURQXUCVZOHS-UHFFFAOYSA-N	322.752	1.691	50	20	DDGD	
CN(C(=O)/C(C#N)=C\c1ccc(O)cc1)C1(C(N)=O)CCCC1	194809097	RPSBZUHEKKVBKP-RAXLEYEMSA-N	313.357	1.556	50	20	DDGD	
Cn1cc(CCC(=O)NNc2cc(C#N)cc(Cl)n2)cn1	93544344	MIPBLJXBDPOCJL-UHFFFAOYSA-N	304.741	1.416	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]23)n1	268483182	PIBCDPMGMPNKBY-QJPTWQEYSA-N	321.381	1.377	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@H]2CCCO[C@@H]2C(C)C)n1	268061484	TXZCDSYJHWRXGU-DGCLKSJQSA-N	323.397	1.563	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@@H]1CCc2n[nH]cc2C1	366761208	RLTVLPQEOGKPDP-CYBMUJFWSA-N	312.373	1.295	50	20	DDGD	
C=C(CBr)CN(C)CC(=O)Nc1cc(C)on1	279362079	KNFVZGADZLOIQO-UHFFFAOYSA-N	302.172	1.804	50	20	DDGD	
CCc1nn(C)cc1NC(=O)C(=O)NNc1cc(C)ccc1C	275808276	ZGUJDSZWFOHPLY-UHFFFAOYSA-N	315.377	1.681	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ccccc1Cn1cncn1	272845320	PGQFDBWJHDIZIE-UHFFFAOYSA-N	314.349	1.279	50	20	DDGD	
COCCOCCC(=O)NNc1nnc(-c2ccccn2)s1	276498180	UKGWTUXMCBRJML-UHFFFAOYSA-N	323.378	1.096	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](CC(=O)NNC(=O)c2cccnc2)CCO1	273206301	OVBACPAOIZXGKQ-JSGCOSHPSA-N	305.378	1.684	50	20	DDGD	
CC(C)(C)OC(=O)CCNC(=O)NNc1nc2ccccn2n1	276854942	JMDLNTOHGHESFV-UHFFFAOYSA-N	320.353	1.087	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccccc1SC	274059131	KYZCTVMUQZFJDP-VIFPVBQESA-N	309.391	1.541	50	20	DDGD	
C[C@@]1(C(=O)NNc2cccc(F)n2)Cc2ccccc2C(=O)O1	376195876	AQHHFVIBVOBZQG-INIZCTEOSA-N	315.304	1.836	50	20	DDGD	
CC(C)SCCNC(=O)NNC(=O)Cc1ccccc1F	287254222	IKUNIVYGYNVCCL-UHFFFAOYSA-N	313.398	1.840	50	20	DDGD	
CCOc1ccc(/C=C/C(=O)NN(C)C(=O)OC)cc1OC	286293425	JLPXUFVMUQHYRJ-VQHVLOKHSA-N	308.334	1.837	50	20	DDGD	
COCCCONC(=O)NNC(=O)c1c[nH]c2ccccc12	288010968	MCTDIOOPENQDDC-UHFFFAOYSA-N	306.322	1.080	50	20	DDGD	
CC[C@H]1CCCC[C@H]1C(=O)NNC(=O)CNC(=O)c1ccco1	280406326	YFRJKJJPOJPZGS-NWDGAFQWSA-N	321.377	1.373	50	20	DDGD	
Cn1ncc2c(=O)n(CCO[Si](C)(C)C(C)(C)C)nnc21	294321667	WRNPZWRPESZHIB-UHFFFAOYSA-N	309.446	1.547	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)Cn2cc(C)cn2)cc1	802054211	MITRAVLUCGUMFR-UHFFFAOYSA-N	303.322	1.053	50	20	DDGD	
CCCc1nc(C)c(CNC(=O)NNC(=O)[C@@H]2CCCCO2)o1	296937994	DVGDZWCVCCMCTG-NSHDSACASA-N	324.381	1.335	50	20	DDGD	
CCCN(NC(=O)c1ccc(=O)n(CC)n1)C(=O)OC(C)(C)C	804595431	XDRWYZCQKKKPGT-UHFFFAOYSA-N	324.381	1.555	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H](C)Cc1cncc2ccccc12	805171855	ROEYIHJJTIHIIY-NSHDSACASA-N	300.362	1.764	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@@H]1CCO[C@H](C2CC2)C1	298242668	JGKSLEAPWWGEEO-PWSUYJOCSA-N	312.320	1.944	50	20	DDGD	
O=C(CSc1nnnn1C1CCCC1)NCC(Cl)Cl	808130820	BFOXWZUBRLRUGD-UHFFFAOYSA-N	324.237	1.800	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CC(O)(COC)C2)cc1	297039503	VOOSEIITLZNGSM-RIYZIHGNSA-N	316.357	1.212	50	20	DDGD	
CCc1nc(C(C)C)ccc1C(=O)NNC(=O)N1CCOCC1	292882993	FCYRQIZVUDNKTH-UHFFFAOYSA-N	320.393	1.454	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cnn(CC(C)C)c1C1CC1	806815555	FSNKUZZOFPBULA-UHFFFAOYSA-N	323.397	1.606	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCCCO1	296816071	VHQYIYZCWCRKDK-NSHDSACASA-N	318.782	1.219	50	20	DDGD	
CN(C)[C@H](C(=O)NNc1cccc(Cl)n1)c1cncn1C	293578227	AYDKBSHKTFLRLE-LBPRGKRZSA-N	308.773	1.215	50	20	DDGD	
O=C(NNC(=O)c1cnnc(-c2ccccc2)c1)c1cccnc1	809957102	SGQNKCVSMORUJI-UHFFFAOYSA-N	319.324	1.613	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@@H]1CCCO1)[C@@H](C)c1ccccc1	293306122	IOORNEOWILGDJL-DYEKYZERSA-N	305.378	1.688	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H](C)N2CCSCC2)cc1	294516393	YRPLVYILPFFSDH-GFCCVEGCSA-N	309.435	1.966	50	20	DDGD	
COc1ccc(NNC(=O)NC2CCN(C3CCC3)CC2)nc1	297012273	JHPDGMTUQJWFQF-UHFFFAOYSA-N	319.409	1.733	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1C(=O)NNC(=O)NC1CCCCC1	298878866	ZFKIFFCPTAZAGS-UHFFFAOYSA-N	321.425	1.994	50	20	DDGD	
CC(C)OCCC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802105746	DHIDJYMDPWRNME-UHFFFAOYSA-N	309.322	1.383	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)COc2ccccc2)cc1	802065012	JBFUVBHMNIMNAD-UHFFFAOYSA-N	315.329	1.927	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2cccnc2F)c1	806274544	VKUHEYHAYMMOQU-UHFFFAOYSA-N	317.320	1.678	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1ccc(-c2cnn(C)c2)s1	800812736	KPYXBKUTTQJKFF-UHFFFAOYSA-N	314.374	1.944	50	20	DDGD	
COCCC(COC)=NNC(=O)c1nnc(-c2ccccc2)o1	812226478	FFRXRESHCMCKHT-UHFFFAOYSA-N	318.333	1.505	50	20	DDGD	
Cc1c(C(=O)NNc2nc[nH]n2)nnn1-c1cccc(Cl)c1	816634002	VDOCSIRSGNJRPN-UHFFFAOYSA-N	318.728	1.104	50	20	DDGD	
Cc1nc(CC(=O)NN=C2CC[C@@H](C(=O)O)[C@H](C)C2)cs1	814740467	UODONTLNDQSAAA-PRHODGIISA-N	309.391	1.987	50	20	DDGD	
CCOCC(C)(C)NCC(=O)NNC(=O)c1cccc(C)c1	815136677	KIYGOWKWCJRNSK-UHFFFAOYSA-N	307.394	1.161	50	20	DDGD	
Cc1cccc(F)c1NC(=O)C(=O)NNc1ncncc1F	815763979	LLGBWPMVWWTJFY-UHFFFAOYSA-N	307.260	1.145	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1n[nH]c2c(OC)cccc12	813423715	LXKNMILLRHZJJE-UHFFFAOYSA-N	305.338	1.316	50	20	DDGD	
Cn1c2c(ccc1=O)C(=NNC(=O)c1ccc(C#N)cc1)CCC2	814823424	HTSFUHOMGGCYHZ-UHFFFAOYSA-N	320.352	1.727	50	20	DDGD	
CCOCC(=O)NN=Cc1c[nH]nc1-c1cccc(OC)c1	814842213	WTGRBVLHIBCRIW-UHFFFAOYSA-N	302.334	1.572	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)CNc2ccccc2)[C@]12CCCO2	819801878	UDTJOTWEENMWFC-NVXWUHKLSA-N	317.389	1.929	50	20	DDGD	
CCc1noc(C)c1C(=O)NN(C)C(=S)NCCCOC	726076752	BDHFXKQXFPRZQY-UHFFFAOYSA-N	314.411	1.033	50	20	DDGD	
CCCOc1ccc2c(c1)C(=NNC(=O)CN(C)C)CCO2	727647834	KCIHSYQBMHGJEH-UHFFFAOYSA-N	305.378	1.640	50	20	DDGD	
O=Cc1c[nH]c(C(=O)NNC(=O)CSc2ccccc2O)c1	815890109	XQRLRTQHYPYAKF-UHFFFAOYSA-N	319.342	1.086	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNc2ccc(OC)cn2)nc1	816332312	QFHKXUSODLETNC-UHFFFAOYSA-N	316.317	1.419	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=C1CCCC[C@H]1N1CCCCC1	814953468	DOHNIVFDACDEGT-OAHLLOKOSA-N	303.410	1.853	50	20	DDGD	
CCN(CC(=O)NNC(=O)C(C)C)c1ccc(OC)c(OC)c1	828162784	ODCCSMKYOXQUAW-UHFFFAOYSA-N	323.393	1.334	50	20	DDGD	
Cc1cccc(OCC(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1	826300331	QHPTUSWLWOSTMF-UHFFFAOYSA-N	324.344	1.697	50	20	DDGD	
COc1ccnc(NNC(=O)CNC(=O)CCC2CCCC2)n1	726525738	GKMJYRVMMNWKBN-UHFFFAOYSA-N	321.381	1.015	50	20	DDGD	
O=C(CSC[C@H]1CCCCO1)NNC(=O)NC1CCCC1	727376919	AZZZJPULGXTQBG-GFCCVEGCSA-N	315.439	1.562	50	20	DDGD	
Cc1cc(C(=O)NN(C)[C@@H](C)CO)c(C)n1-c1nccs1	823977555	ZQUXMNWMUCPYDT-JTQLQIEISA-N	308.407	1.508	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1C[C@@H](C)Oc2cc(F)ccc21	827888079	SUVFNRNCQPPGOS-SNVBAGLBSA-N	309.341	1.216	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cnc(-c2ccccc2Cl)nc1	823913655	ZAWLQZTZXCWBRK-SNVBAGLBSA-N	320.780	1.754	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCc1cnn(-c2ccccc2)c1	823982780	DGOHOBHFLUJQAE-CYBMUJFWSA-N	302.378	1.149	50	20	DDGD	
N#CC1=CCN(C(=O)c2ccncc2NC(=O)C(F)(F)F)CC1	821435962	GGNPKZDLLPHMIQ-UHFFFAOYSA-N	324.262	1.878	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C	495376214	ATFVKJOXNSYJRY-VIFPVBQESA-N	317.411	1.100	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)CCOc1ccccc1)C(C)(C)C	491813171	QFADQCWPLVFJDK-CQSZACIVSA-N	317.389	1.834	50	20	DDGD	
Cc1ccncc1/C=C/C(=O)NNC(=O)c1ccc(Cl)nc1	492418917	CTECFELLWTYUSN-HWKANZROSA-N	316.748	1.913	50	20	DDGD	
C=CCCCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	823894048	GBXZXWTVVMFNOE-UHFFFAOYSA-N	307.745	1.715	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)C(F)(F)C(F)F	822728846	ZXWRXRVIOJYSEA-UHFFFAOYSA-N	312.194	1.956	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c2ncccc12	823475082	NVIBUDAVQDCLCB-AAEUAGOBSA-N	313.357	1.729	50	20	DDGD	
CC(=NNC(=O)c1ncccn1)[C@@H](C)NC(=O)OC(C)(C)C	496750725	GBNJLXFAJHBDNU-SECBINFHSA-N	307.354	1.496	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCc2cccc(Cl)c2)nn1	490695437	NEFCJOPRDVAMAE-WDZFZDKYSA-N	301.737	1.692	50	20	DDGD	
CC(C)COc1cccc(OCC(=O)N2CC[C@H](B(O)O)C2)c1	585063507	AWHKXVJKPPJTQG-ZDUSSCGKSA-N	321.182	1.176	50	20	DDGD	
O=C(N[C@H]1CCC12CCCCC2)c1cc(B(O)O)ccc1F	584980251	UYSRMTFYNOSMMD-AWEZNQCLSA-N	305.158	1.348	50	20	DDGD	
C[C@@H]1[C@@H](NC(=O)c2cccc(B(O)O)c2)C[C@@H]1c1ccccc1	584959716	KLBINAOVRJFQLJ-ZLIFDBKOSA-N	309.174	1.288	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(-n2ccnn2)ccc1F	823762552	GLVVIFFXGYSITR-UHFFFAOYSA-N	320.328	1.151	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NNc1ccnc(F)c1	495555392	POZWSRKQLDWJAI-SNVBAGLBSA-N	310.329	1.673	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1cc2cc(F)ccc2o1	829646023	QQHRSJUWIJWJAL-UHFFFAOYSA-N	314.338	1.928	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc(OC(C)C)cc1C	496321114	GQLDOCNVAWGJFC-UHFFFAOYSA-N	323.349	1.498	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N(C)[C@@H]2CCCOC2)cc(C#N)n1C	490942196	NIEHMQZPYJOEBV-XIEDVDOYSA-N	312.373	1.750	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCc1ccccc1)N(CC)CC	736010075	ODEQGGGSMJYVGC-HNNXBMFYSA-N	305.422	1.887	50	20	DDGD	
O=C(NNc1ncc(Cl)cc1Cl)C1(CO)CCOCC1	837542234	YLRMNGWTSGPMBI-UHFFFAOYSA-N	320.176	1.621	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCCNC(=O)O)c1ccccc1	736850958	ZBQTVAIMNYBWMX-LBPRGKRZSA-N	307.350	1.375	50	20	DDGD	
CN1CC[C@]2(CCN(C(=O)/C(C#N)=C/c3ccc(O)cc3)C2)C1	490944726	XQLQDHQISKXANT-KAPURRDVSA-N	311.385	1.853	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(C)c1	831337040	ISDNTFZBAVIXMY-WCQYABFASA-N	321.377	1.971	50	20	DDGD	
COc1cc(C)cc(CNCc2ccc(B(O)O)cc2F)c1	585030779	ZWGQQODOENTHPQ-UHFFFAOYSA-N	303.142	1.112	50	20	DDGD	
COC(=O)[C@H](C)Oc1ccccc1C=NNC(=O)C1CCC1	901189381	QRWVJVVMLPHAJN-NSHDSACASA-N	304.346	1.877	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NN=Cc1ccc(CO)o1	739399740	JIRIBMQLOTZCDQ-JTQLQIEISA-N	306.293	1.829	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)NOCC1CC1	838605756	CFABUSNUOGQYFF-UHFFFAOYSA-N	302.334	1.313	50	20	DDGD	
CCC[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)NNC(=O)CC	838250613	ACBIFXSYNWBKFO-NEPJUHHUSA-N	300.399	1.938	50	20	DDGD	
C[C@@H]1CC(=O)Nc2ccc(C(=O)NNC(=O)C3CCC3)cc2N1	906643569	HBPMXLCNSIHGFO-SECBINFHSA-N	316.361	1.390	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(N(C)C)c2)C1	838748668	LYKFYIGSFFMXGZ-XBXGTLAGSA-N	320.393	1.264	50	20	DDGD	
CC(=NNC(=O)c1cccc(S(C)(=O)=O)c1)c1nccs1	732622179	MZLYZUKEZQWWKS-UHFFFAOYSA-N	323.399	1.701	50	20	DDGD	
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1C[C@H]2CC[C@H]1O2	834961831	KELWUACCDXTTFK-JTNHKYCSSA-N	319.317	1.974	50	20	DDGD	
CC[C@@H](C)c1cc(-c2nc(-c3cccc(B(O)O)c3)no2)on1	585054355	SZQZGCIQDIKWTK-SECBINFHSA-N	313.122	1.585	50	20	DDGD	
COCC(COC)N1CCN(/C(=C\C#N)c2ccccc2)CC1	839620948	FAJOCMZLOIMNHD-LSCVHKIXSA-N	315.417	1.830	50	20	DDGD	
C[C@@](O)(CC(=O)NNc1cccc(Br)n1)C1CC1	837210994	BUYAILVNIMNHSB-GFCCVEGCSA-N	314.183	1.838	50	20	DDGD	
CCOCC(=O)NNC(=S)NC12CC3CC(CC(C3)C1)C2	731161382	YFIHRMIUYBBYIV-UHFFFAOYSA-N	311.451	1.487	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)C[C@@H]1C[C@H]2CC[C@H]1O2	836781545	RYLXSDWHGYTVBS-MISXGVKJSA-N	304.346	1.874	50	20	DDGD	
Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNc1nccnc1Cl	734261837	KWTJOQFUXFURJP-SSDOTTSWSA-N	308.773	1.727	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)Cc1nnn(C(C)(C)C)n1	832362964	HKVLTSFWPMMRQH-UHFFFAOYSA-N	306.345	1.561	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](C(C)C)N(C)C)c(F)c1	837207921	SHSSXSYVDFOTCZ-ZDUSSCGKSA-N	311.357	1.642	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc(C#N)cc1)[C@@H](C)C(C)C	839471431	VCJSVOBEUBYDJH-ZDUSSCGKSA-N	316.405	1.686	50	20	DDGD	
O=C(N1CC[C@H](B(O)O)C1)C1(c2c(F)cccc2F)CCC1	585063806	HOJMSOLGJAXWDN-JTQLQIEISA-N	309.121	1.462	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccccc2F)[C@@H]2CCCC[C@@H]2N1	830767216	XKFWJPNIZZVUDT-GVXVVHGQSA-N	305.353	1.964	50	20	DDGD	
C[C@@H]1C[C@@H](NS(=O)(=O)CCl)C(=O)N1c1ccccc1	830707123	BBOKRKJMVHMUGP-MWLCHTKSSA-N	302.783	1.296	50	20	DDGD	
COCCCOc1ccccc1NCc1ccccc1B(O)O	585012585	AGDYTZJLXIEQNA-UHFFFAOYSA-N	315.178	1.394	50	20	DDGD	
CCn1nnc(C)c1C=NNC(=O)CNc1ccccc1F	834921489	WBSYNSDKFKZTIV-UHFFFAOYSA-N	304.329	1.308	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1ccc([N+](=O)[O-])[nH]1	731344530	PAIDIMTWQVXHDY-UHFFFAOYSA-N	306.253	1.066	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1CNC(=O)NNC(=O)c1cccc(C#N)c1	836276649	NIIPIYHNMLZQLG-KBPBESRZSA-N	300.362	1.794	50	20	DDGD	
CC1(C)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)c2ccccc21	584963795	CWZJURZDSVHOIL-MRXNPFEDSA-N	309.174	1.519	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cc(Br)c[nH]1)C1CCC1	837315615	DBUUTPCZKNMMSY-ZETCQYMHSA-N	314.183	1.974	50	20	DDGD	
C[C@@H](C1CC1)N(C)CC(=O)NNC(=O)c1ccc(C#N)cc1	839463524	JBPRAGFOKIZFFA-NSHDSACASA-N	300.362	1.050	50	20	DDGD	
O=C(NNC(=S)NC[C@H]1CCOC1)c1c[nH]c2ccccc12	749649597	XLRNKNPTIRCPGT-SNVBAGLBSA-N	318.402	1.313	50	20	DDGD	
CC1=C(C(=O)OCC(=O)NNC(=O)c2ccc(C)cc2)CCC1	747153465	XVTILLAYNBQEFN-UHFFFAOYSA-N	316.357	1.800	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@H](CN1CCCC1)c1ccccc1	910157277	QKPSNVRBCKXTGR-GDBMZVCRSA-N	305.422	1.210	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1c(-n2cccc2)sc2c1CCC2	910156282	SCYZLYNBEQRKDL-NSHDSACASA-N	319.430	1.985	50	20	DDGD	
CO[C@@]1(C)CC(=NNC(=O)CNC(=O)c2ccco2)C1(C)C	746577929	XHQYGJSHJTZVKC-HNNXBMFYSA-N	307.350	1.317	50	20	DDGD	
CCOC(=O)CSCC(=O)NNC(=O)c1cccc(C)c1	742447419	KRJZGNHFLWXOCR-UHFFFAOYSA-N	310.375	1.052	50	20	DDGD	
CN(C)c1nccc(NNC(=O)CCc2ccccc2F)n1	740102649	DWGVAXPSTAPPBV-UHFFFAOYSA-N	303.341	1.758	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNc2ccnc(N(C)C)n2)c1	740117400	GPDCBYXNXJGXFP-GFCCVEGCSA-N	315.377	1.762	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cccc(Br)c1O	910155918	PDNMXCGWOQKOCR-ZETCQYMHSA-N	303.156	1.112	50	20	DDGD	
O=C(C=C1CCCC1)NNC(=O)c1nnc(O)c2ccccc12	917915560	NWDQJPOZSVWZHR-UHFFFAOYSA-N	312.329	1.597	50	20	DDGD	
O=C(NC[C@@H]1CCCNC1)NNC(=O)c1cc2ccccc2o1	841928985	WJGUJKRIVRGORF-LLVKDONJSA-N	316.361	1.376	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H](C)CCCCN)cc1	841994147	IKDBFMYNPVLBND-ZDUSSCGKSA-N	322.409	1.222	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@@H](C)NC(=O)NNC(=O)c1ccccc1	840416848	NUSPIYBPKYTITO-BDJLRTHQSA-N	305.378	1.834	50	20	DDGD	
CCOc1ccc(OC(C)(C)C(=O)NNC(=O)N(C)C)cc1	746006219	XNECELPVPPIMPK-UHFFFAOYSA-N	309.366	1.545	50	20	DDGD	
O=C(CCc1nc2ccccc2[nH]1)NNC(=O)C1CCCC1	914843166	ARDFQAAPYFZGGD-UHFFFAOYSA-N	300.362	1.833	50	20	DDGD	
Cc1c(C(=O)O)oc2c1C(=NNC(=O)[C@@H]1CCO[C@H]1C)CCC2	842552103	AWVZRRNVXCZWIW-VHSXEESVSA-N	320.345	1.868	50	20	DDGD	
Cc1noc([C@H](C)N(C)C(=O)NNC(=O)c2ccccc2)n1	848643014	PPWPLISHHIWXRA-VIFPVBQESA-N	303.322	1.425	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NNC(=O)COc1cc(C)ccc1C	916092961	RPXAEOMSQVYYDK-TZMCWYRMSA-N	306.362	1.255	50	20	DDGD	
Cc1cccc(-c2nc(C)c(C(=O)NN(C)C[C@@H](C)O)[nH]2)c1	910160639	MMUHUENNGTZCHN-LLVKDONJSA-N	302.378	1.651	50	20	DDGD	
Cc1nn(-c2cccc(F)c2)cc1C(=O)NNC(=O)NC1CC1	840289275	RTIQUFRCCWDGIV-UHFFFAOYSA-N	317.324	1.426	50	20	DDGD	
CC(=O)N/C(=C\c1ccccc1)C(=O)NNC(=O)C1CCCC1	914844129	LFLANDSWRUGJBC-PTNGSMBKSA-N	315.373	1.501	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1ccc(OCC(C)C)cc1	914845856	UXKJAGTXEZSEQW-UHFFFAOYSA-N	300.380	1.441	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)N(C)C)cc(C#N)n1C	744633718	YXYSBJCPYUWUAB-HOVAHTAHSA-N	314.345	1.132	50	20	DDGD	
CN(C)c1nccc(NNC(=O)C2(c3ccccc3F)CC2)n1	740104407	JZSXWVZSKJVWGS-UHFFFAOYSA-N	315.352	1.857	50	20	DDGD	
NC[C@H]1CC[C@@H](NC(=O)NNC(=O)c2cccc(Cl)c2)C1	842009584	FMLIEJWONJVEJX-JOYOIKCWSA-N	310.785	1.411	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CN2CCCCCCC2)cc1	744385272	VDGHFHWHLPDKAV-UHFFFAOYSA-N	314.389	1.585	50	20	DDGD	
Cc1ccc(C)c(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1	920381677	SHSCMBJCURXPRR-CYBMUJFWSA-N	309.391	1.124	50	20	DDGD	
COc1cc(C(=O)NNC(=O)NCC2CC2)cc2c1O[C@@H](C)C2	920859147	SUJDXBXGNKHXDT-VIFPVBQESA-N	319.361	1.373	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2cc(F)ccc2F)[C@H]1OC	922068472	JLVWCGXLLORWOA-YNEHKIRRSA-N	315.320	1.783	50	20	DDGD	
CCCCNC(=O)NN=C(C)c1cccc(S(N)(=O)=O)c1	920751209	RXRLKMGEFJFFRM-UHFFFAOYSA-N	312.395	1.157	50	20	DDGD	
COc1ccc(NNC(=O)CNC(=O)CC2CCCC2)cc1	746887136	QTEIIQMLGGXHCG-UHFFFAOYSA-N	305.378	1.835	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1ccc(F)cc1C	743446492	WQFXCXIILBKJHC-UHFFFAOYSA-N	318.308	1.418	50	20	DDGD	
COc1cncnc1NC(=O)c1c(C)nn(CCCl)c1C	847047993	YYRUPMKQKRLAPS-UHFFFAOYSA-N	309.757	1.790	50	20	DDGD	
CC(C[C@@H]1CCCC(=O)N1)=NNC(=O)Cc1csc(C)n1	841609707	FKVSSRCYIPZLQP-NSHDSACASA-N	308.407	1.545	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)/C=C(/C)COC	844280520	JKEWTDYZWWNJAI-XFXZXTDPSA-N	322.361	1.204	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCC(C)CC1)c1ncccn1	841613804	ARDLOKYCPMEOLH-ZDUSSCGKSA-N	303.410	1.685	50	20	DDGD	
Cc1cc(NNC(=O)COCc2nncn2C)ccc1Cl	928340301	WBIUHEYVAQNSMM-UHFFFAOYSA-N	309.757	1.437	50	20	DDGD	
CC[C@@H](C(=O)NNC(=S)NCC1CCC1)N(CC)CC	855091128	CGFKOQGGXIRARO-LBPRGKRZSA-N	300.472	1.402	50	20	DDGD	
C[C@H](COCC1CCCCC1)NC(=O)c1ccc(B(O)O)cc1	928702859	MGTCIWWKBAZEKO-CYBMUJFWSA-N	319.210	1.082	50	20	DDGD	
CN1C(=O)CC[C@H]1C(=O)OC[C@H](CBr)C1CC1	859634174	RJLZNOQPXNUNBS-UWVGGRQHSA-N	304.184	1.572	50	20	DDGD	
COc1nccnc1NNC(=O)C1(C(=O)OC(C)(C)C)CCC1	854953365	SNHGIKLFBBRGHN-UHFFFAOYSA-N	322.365	1.440	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1	857115106	ANCHTRYCFAGZMU-RBSFLKMASA-N	317.389	1.833	50	20	DDGD	
C[C@H]1[C@H](C)CCN1CC(=O)NNC(=O)c1cccc(C#N)c1	752317585	CEKFCAJRFMHAKM-NEPJUHHUSA-N	300.362	1.050	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(CCC#N)CC(C)C)cc1	755675043	UMQQMCIRNOYPTP-UHFFFAOYSA-N	316.405	1.628	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)NC1CC1)c1ccc([N+](=O)[O-])cc1F	755158575	RKXHLNAPZPPZRD-SSDOTTSWSA-N	310.285	1.330	50	20	DDGD	
O=C1CCC[C@H](C(=O)OC[C@@H](CBr)C2CC2)N1	859682036	UFDDAVQPQIFXQY-NXEZZACHSA-N	304.184	1.619	50	20	DDGD	
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NNc1ncc(Cl)cn1	856895939	PKYIXHDNWIVCQR-MWLCHTKSSA-N	311.773	1.737	50	20	DDGD	
C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NNc1ccc(F)c(F)c1	924043805	KSYKTNIIROVZKT-HQJQHLMTSA-N	319.333	1.024	50	20	DDGD	
CCOc1ccc(C=NNC(=O)[C@@H](C)OCCOC)c(C)c1	853314339	LASFBETVRZMZRG-CYBMUJFWSA-N	308.378	1.895	50	20	DDGD	
CC(=O)Nc1ccc(O)c(C(=O)NNC(=O)c2ccc(C)o2)c1	752824350	OBQSTEJLWWDVEZ-UHFFFAOYSA-N	317.301	1.327	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@H]1CCCN1C=O	854944346	KZQLCUUOKBGHSD-SECBINFHSA-N	311.773	1.317	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ncc(C(C)(C)C)s1	756791944	HZPXAOIZPUAEPF-UHFFFAOYSA-N	300.384	1.630	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)N[C@@H]1CCCc2occc21	851950407	OSTRPUKDODFFAL-SNVBAGLBSA-N	318.308	1.835	50	20	DDGD	
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NNC(=O)C(C)(C)C	852083292	CEMRVXVZDKRGGW-NWDGAFQWSA-N	305.378	1.928	50	20	DDGD	
CCOc1ccccc1-c1cccc(C(=O)NNC(=O)CO)c1	753441057	YJMPQAPRKBOYNP-UHFFFAOYSA-N	314.341	1.506	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CC2(C)CC2)cc(OC)c1OC	757761340	WDIREEIMHKIITA-UHFFFAOYSA-N	322.361	1.664	50	20	DDGD	
COCC[C@H](NCC(=O)NNC(=O)C(C)(C)C)c1ccco1	754461370	YFEYZMYTJUMVDM-NSHDSACASA-N	311.382	1.140	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cccc(Br)c1F	757873821	KEAFSUFBIOQAQK-UHFFFAOYSA-N	318.146	1.942	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2ccc3nc[nH]c3n2)c1	755575400	LWEYNVZAHKNCJS-UHFFFAOYSA-N	301.281	1.863	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C1CN(C2CC2)C[C@H]1C	755879987	NSJIKDUBVODRPU-GFCCVEGCSA-N	317.389	1.660	50	20	DDGD	
O=C(Cn1nnc(-c2ccccc2)n1)NN=C/C=C/c1ccco1	920362255	SNBBTPBXCJTXGP-LMGJMYKPSA-N	322.328	1.749	50	20	DDGD	
C[C@H](N)CCNC(=O)NNC(=O)c1ccc(Cl)cc1Cl	857113729	BHSNPBIRXVUMFP-ZETCQYMHSA-N	319.192	1.675	50	20	DDGD	
C/C=C(\C)C(=O)OCC(=O)NNC(=O)c1cc(C)c(CC)s1	750911191	ZSZPLWLKKHLSGM-WEVVVXLNSA-N	324.402	1.889	50	20	DDGD	
O=C(O)[C@H]1CN(Cc2ccc(OCCCCl)cc2)CCO1	859807216	ZEXATVHRMOCLCZ-CQSZACIVSA-N	313.781	1.980	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)NC/C=C\CO)c1C	855404098	QNCLQFOWHXTGRQ-GASMRJJYSA-N	317.389	1.323	50	20	DDGD	
CC[C@@H]1COCC1=NNC(=O)C(=O)Nc1ccc(C)c(C)c1	853280084	CWUSMQYGFPXBQO-GFCCVEGCSA-N	303.362	1.771	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NC[C@@]1(C)C[C@H]1Br	857386489	VMHDCYSQKKJINQ-KBVBSXBZSA-N	305.216	1.424	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccc(Cl)nc2)[C@@H]2CCCC[C@@H]2N1	857141690	NAZVZWKTHHAWEL-SRVKXCTJSA-N	322.796	1.873	50	20	DDGD	
C[C@]1(CN2C(=O)N[C@H](CC3CC3)C2=O)C[C@H]1Br	857227460	NWJMYZIGSHLGIU-KBVBSXBZSA-N	301.184	1.880	50	20	DDGD	
C[C@@H](c1ccccc1)[C@@H](O)CNC(=O)NNC(=O)C(C)(C)C	852083857	MPAWZYQFGZSPQK-AAEUAGOBSA-N	307.394	1.528	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cnn(-c2ccc(C)cc2)c1C	854926945	QJLSNPPCDMLTTJ-UHFFFAOYSA-N	317.418	1.570	50	20	DDGD	
CCC(=NNC(=O)c1nnc(O)c2ccccc12)c1nccn1C	755544481	DVVASDHHTJMDMJ-UHFFFAOYSA-N	324.344	1.613	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C=NNC(=O)[C@@H]1CCCOC1	853358901	IWIGMOLOKRKEII-BFHYXJOUSA-N	320.393	1.416	50	20	DDGD	
CC1(CCC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)CC1	930163829	WEESOGFQAARERH-UHFFFAOYSA-N	324.402	1.431	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=Cc2ccccc2C#N)cc1	755511420	UULPZGDVMZQDPA-UHFFFAOYSA-N	304.309	1.959	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)/C=C/c1cnn(C)c1	751168023	DNWIGXALJZATCC-ZZXKWVIFSA-N	303.274	1.956	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=O)NCC2CC2)cc1Cl	930733776	FPVXTPYYGIYPOT-UHFFFAOYSA-N	324.768	1.652	50	20	DDGD	
C=C[C@H](CC)CC(=O)NNc1nc2ccccc2c(=O)n1C	932751212	FLNHTUMZPDTMDX-LLVKDONJSA-N	300.362	1.979	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2ccccc2S(C)(=O)=O)CCC1=O	764219664	QNKQAPOYJKZTTG-GHMZBOCLSA-N	324.402	1.539	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCC(c2ncc(C)s2)CC1	763953217	SZRPDDCPIGPMGO-LLVKDONJSA-N	324.450	1.577	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(F)(F)Oc1ccc(C=O)cc1	768409906	MTTXAADTPMBEEA-UHFFFAOYSA-N	315.276	1.163	50	20	DDGD	
CCCC1(C(=O)NNC(=O)COc2ccc(C#N)cc2)CC1	760263283	NRSZVOGFMPAWCQ-UHFFFAOYSA-N	301.346	1.665	50	20	DDGD	
COCc1c(C(=O)NNc2cccnn2)cnn1-c1ccccc1	768449281	NSGNZILIBFGWLJ-UHFFFAOYSA-N	324.344	1.566	50	20	DDGD	
COc1ccsc1C=NNC(=O)Cc1cc(O)nc(S)n1	764675466	ABAAJEDMYVNXSP-UHFFFAOYSA-N	324.387	1.234	50	20	DDGD	
C[C@H](C(=O)NNc1cc(C#N)cc(Cl)n1)c1cnn(C)c1	768716191	WIYGBXLFXYHKRX-QMMMGPOBSA-N	304.741	1.587	50	20	DDGD	
CN(NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CC1(F)F)C1CC1	868962022	KKFPYSQLRMENDK-LBPRGKRZSA-N	305.325	1.414	50	20	DDGD	
C[C@@H](C(=O)NNc1ncc(Cl)cc1Cl)[C@@H]1CCC(=O)N1	860937033	QEWGAKMPUGIDKX-MUWHJKNJSA-N	317.176	1.746	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)c2cn[nH]c2)cc1OCC	862474742	ZFSHLKGHDSDJFW-UHFFFAOYSA-N	318.333	1.282	50	20	DDGD	
O=C(CN1CCC(C(F)F)CC1)NNC(=O)c1ccccc1	767085929	CZDNTNNUCDAOHJ-UHFFFAOYSA-N	311.332	1.425	50	20	DDGD	
C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)NNC(=O)c1cn[nH]c1	1118863940	HDAUMWSTHGUXRK-ZYHUDNBSSA-N	307.398	1.911	50	20	DDGD	
Cc1cc(C=NNC(=O)CNC(=O)c2cccnc2)ccc1C#N	766453087	NDWZMNOLINRCFZ-UHFFFAOYSA-N	321.340	1.142	50	20	DDGD	
CC(C)n1ncc2cc(C(=O)NNc3ncc(F)cn3)cnc21	760907107	XXZOPCVYVVKUIL-UHFFFAOYSA-N	315.312	1.698	50	20	DDGD	
CCc1cccnc1C(=O)NNC(=O)COc1ccc(C#N)cc1	766552909	MKFAWULIDBUBOA-UHFFFAOYSA-N	324.340	1.356	50	20	DDGD	
Cc1ccc(C=NNC(=O)Cc2nc3ccccc3n2C)nc1	761801753	OPJZSKBKWVUNSR-UHFFFAOYSA-N	307.357	1.970	50	20	DDGD	
CC(C)(C)N1C[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2)CC1=O	768250076	NHHXPQMNMYCIPO-JTQLQIEISA-N	320.349	1.685	50	20	DDGD	
CN1CCCC[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2)C1=O	873737889	WUVRZXNDUADXOR-LBPRGKRZSA-N	323.780	1.360	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNC(=O)CNc2ccccc2)n1	878018088	RDFXSEGRWGWQOQ-GFCCVEGCSA-N	315.377	1.087	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1cccc(Cl)c1O	775675883	MOJCJHZDIBWLAB-UHFFFAOYSA-N	309.709	1.783	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H](C)CC(N)=O)cc1C	873761663	DQMVSGIBSXZOMX-JTQLQIEISA-N	308.407	1.133	50	20	DDGD	
CCC[C@@H]1C[C@H](C(=O)NNC(=S)NCC2CCC2)CCO1	779902680	TYDWNWCYTHLWRN-CHWSQXEVSA-N	313.467	1.877	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CN2CCCC2)c1	873755165	FDDBZLJQFRYBQS-UHFFFAOYSA-N	306.435	1.717	50	20	DDGD	
Cc1nc(CNS(=O)(=O)CCCCl)ccc1[C@H](C)O	882041737	DKDXMAZUIVFIHE-JTQLQIEISA-N	306.815	1.492	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)COC2(C)CCC2)cc1	773250501	FUEQLDVKIZWRIV-UHFFFAOYSA-N	306.362	1.480	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)Cc2ccoc2)c1	772574382	YCJFQXGXUQUOFL-UHFFFAOYSA-N	316.313	1.135	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(O)cc1	771881754	OSYWYMWOXNEIML-SNVBAGLBSA-N	308.334	1.131	50	20	DDGD	
CCn1cnc2c1CCN(C(=O)[C@]1(C)C[C@@H]1Br)C2	886611575	IGRQCLHDHKPOHU-WCQYABFASA-N	312.211	1.961	50	20	DDGD	
COc1c([N+](=O)[O-])ccc(C=NNC(=O)c2cccn2C)c1O	773033715	WNHNHZOBTNPVMY-UHFFFAOYSA-N	318.289	1.411	50	20	DDGD	
Cc1cc(C(=O)NNc2ccccn2)ccc1N1CCNC1=O	777469408	NOXLYRDBTXEQAA-UHFFFAOYSA-N	311.345	1.677	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCc1cnn(-c2ccccc2)c1	887140757	RETDMQDSDDTFFX-UHFFFAOYSA-N	324.384	1.756	50	20	DDGD	
COCCCNC(=O)NNC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1	781681430	JEDYJRKQUPGKQK-CHWSQXEVSA-N	315.414	1.195	50	20	DDGD	
O=C(C[C@@H]1C=CS(=O)(=O)C1)NNc1cc(F)ccc1F	885145856	ICTXZECLTMXTMY-QMMMGPOBSA-N	302.302	1.356	50	20	DDGD	
COc1cccc(NNC(=O)[C@H](C)NC(=O)C2CCCCC2)n1	781023669	DSGHIKPRRAVGQG-NSHDSACASA-N	320.393	1.618	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)nc1	787884107	DPMZOABNUBIFKL-SNVBAGLBSA-N	321.381	1.116	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCCOC(=O)/C(C#N)=C/C1CC1	786678519	DUHXXJVYHKYUBD-FNCQTZNRSA-N	300.314	1.793	50	20	DDGD	
Cc1nn(C)c(C)c1NC(=O)COC(=O)/C(C#N)=C/C1CC1	786675058	ZKHBJHNMYWQWGA-WUXMJOGZSA-N	302.334	1.379	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cccc2c1OCCO2	781820491	SPIMACINYDBJQH-UHFFFAOYSA-N	306.709	1.658	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccc(C#N)cc2)ccn1	789869126	KQNLDFATPRTYSM-UHFFFAOYSA-N	310.313	1.102	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)cc1	891958173	VOLDQJAUNHQGIE-AIDNBVJZSA-N	313.401	1.846	50	20	DDGD	
CCC1(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)CCC1	798307192	KMHWJVWLPZLVKG-UHFFFAOYSA-N	317.389	1.970	50	20	DDGD	
NC(=O)c1ccccc1CCC(=O)NNc1nc2ccccc2[nH]1	792658156	IYPXYOMWXXUWHD-UHFFFAOYSA-N	323.356	1.738	50	20	DDGD	
CCCC[C@@H](SCC(=O)NNC(=O)C1CC1)C(=O)OC	794450726	PPGZMQAYANKAMH-SNVBAGLBSA-N	302.396	1.009	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)CCc2cnc[nH]2)cc1	792820762	VXRCJUHBGCQEBT-UHFFFAOYSA-N	318.402	1.590	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1ccc(F)cc1F	792376034	OHHGQPZUHVONLS-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C(C)(C)C(F)F	795861910	YSGWAUKLXWVUCW-QMMMGPOBSA-N	308.325	1.403	50	20	DDGD	
CNc1nc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])cs1	791075221	CWONXSLWRZLAPS-UHFFFAOYSA-N	311.298	1.989	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1c[nH]nc1-c1ccccc1F	798306684	QYZJVMVJRLWSQY-UHFFFAOYSA-N	319.365	1.511	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cccc(OC)c1F	799882144	FMLVPGYUINHZPK-UHFFFAOYSA-N	309.341	1.589	50	20	DDGD	
COC1(CC(=O)NNC(=O)Cn2ccc3ccccc32)CCC1	790593695	UTUQXUDXNCUUIN-UHFFFAOYSA-N	315.373	1.748	50	20	DDGD	
CN(C)c1ccnc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])c1	791075171	BQXLOSQQGUNIMK-UHFFFAOYSA-N	319.296	1.952	50	20	DDGD	
N#C/C(=C/c1cn(-c2ccccc2)nn1)S(=O)(=O)NC1CC1	794945234	YRHTWUFQKZCLHN-ZSOIEALJSA-N	315.358	1.214	50	20	DDGD	
CC(C)n1ccc(NC(=O)C(=O)NNc2cccc(F)c2)n1	797037941	APNNATLYCZKDMF-UHFFFAOYSA-N	305.313	1.685	50	20	DDGD	
O=C(NNC(=O)C(=O)Nc1ccccn1)Nc1ccccc1F	1319090844	VRAXRUZIEXYMPA-UHFFFAOYSA-N	317.280	1.012	50	20	DDGD	
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=S)NC(C)C	1318210916	BZRLGCFOYKRASN-VIFPVBQESA-N	318.443	1.193	50	20	DDGD	
CC[C@H](C)CC[C@H](O)CC(=O)NNC(=O)[C@@H]1CCCCO1	1326586989	HLYVJZNFOJQFIG-AVGNSLFASA-N	300.399	1.280	50	20	DDGD	
CC(C)(C)NCC(=O)NNc1nnc(-c2ccccn2)s1	1320783007	PWXKUNGFBFJCPN-UHFFFAOYSA-N	306.395	1.431	50	20	DDGD	
O=C(NNc1ccccn1)[C@@H]1CCCCN1Cc1cccnc1	1323514026	FYFVVGYKPPEHCG-HNNXBMFYSA-N	311.389	1.974	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccc([S@](C)=O)cc1	1320532328	WZFMTSXIXRDHOD-QFIPXVFZSA-N	321.362	1.371	50	20	DDGD	
Cc1cc(CNS(=O)(=O)c2ccc(CCCl)cc2)n[nH]1	716754461	YINQUHNSKLFFNV-UHFFFAOYSA-N	313.810	1.978	50	20	DDGD	
O=C(CCCCc1cccc(O)c1)NNC(=O)[C@@H]1CCCCO1	1263836003	MVDGPVQLWBSXMK-HNNXBMFYSA-N	320.389	1.822	50	20	DDGD	
O=C(NNC(=O)N1CC[C@@H]1CO)c1c(Cl)cccc1Cl	1340648820	IIGZPVPFCYACCQ-SSDOTTSWSA-N	318.160	1.414	50	20	DDGD	
N#C/C(=C\c1cn(C[C@H]2CCCO2)nn1)C(=O)C1CCOCC1	1351756178	JFWWTIIMCBAHQM-XETPBLJFSA-N	316.361	1.360	50	20	DDGD	
CCN(CC)CC[C@H](C)NC(=O)NNC(=O)c1ccccc1	1521226567	LZLWMMUVNRMXEC-ZDUSSCGKSA-N	306.410	1.751	50	20	DDGD	
O=C(NNC(=O)c1cnc(C2CCNCC2)o1)c1ccccc1	1521863586	BIKPJNJZTCPYNC-UHFFFAOYSA-N	314.345	1.216	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)CCCCc2cnn[nH]2)cc1	1608781050	MQRXSSLRPOKXLR-UHFFFAOYSA-N	317.349	1.288	50	20	DDGD	
O=C(O)[C@@H]1[C@@H](O)CCCN1C[C@H](CBr)C1CC1	1601758121	LIGOJQIYFFUCTE-DCAQKATOSA-N	306.200	1.317	50	20	DDGD	
O=C(O)c1coc(C=NNC(=O)c2ccc3c(c2)OCCO3)c1	1608987283	LTOSXOBMWOGYHJ-UHFFFAOYSA-N	316.269	1.513	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)Nc1ccnn1C1CCC1	1605821213	XHAHLOFAYHHHPD-UHFFFAOYSA-N	316.321	1.850	50	20	DDGD	
COC[C@]1(C(=O)NNc2ccc(C(=O)O)cc2F)CCOC1	1606822424	UQTSPAUVEWHZJR-CQSZACIVSA-N	312.297	1.020	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)Cc1cccc(C(=O)O)c1	1600590039	PJOXOUSLVLIQOV-UHFFFAOYSA-N	313.313	1.092	50	20	DDGD	
C[C@H](CC(=O)O)NC(=O)NNC(=O)Nc1cc(F)cc(F)c1	1603124965	AUNXVKPUMTYTAI-ZCFIWIBFSA-N	316.264	1.164	50	20	DDGD	
CCn1cc(CC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)cn1	1605920729	ZPEYNLVHWSAKMX-UHFFFAOYSA-N	319.273	1.658	50	20	DDGD	
O=C(O)c1cnc(C(=O)NNc2cccc3c2CCCC3)cn1	1610861404	ZUNLOVDERFHVCZ-UHFFFAOYSA-N	312.329	1.811	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1cc(C)c(C(=O)O)[nH]1	1610364461	FOBJAIXJKGLAHG-UHFFFAOYSA-N	315.329	1.723	50	20	DDGD	
NC1(CC(=O)NNC(=O)c2nc3ccccc3s2)CCC1	1580143830	IOLBSSJPJRJPDB-UHFFFAOYSA-N	304.375	1.329	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)/C(C)=C/OC)C2	1845165336	HDQDUDMSMBKPGS-JATZPVMKSA-N	314.813	1.757	50	20	DDGD	
C=CCC(=O)N1CCCC12CN(C(=O)[C@@H](C)Br)C2	1846377982	MNSNKIPARMITDM-SNVBAGLBSA-N	315.211	1.549	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1sccc1-c1nn[nH]n1	1592820934	JHVZJXWIRGYNEF-UHFFFAOYSA-N	320.378	1.270	50	20	DDGD	
Cc1cccc(CNC(=O)/C(C#N)=C\c2cc(C(=O)O)nn2C)c1	1594403513	OQHDNNRDOUFSGI-QPEQYQDCSA-N	324.340	1.650	50	20	DDGD	
COC1(C(=O)NNc2cccc(C(=O)O)c2C)CCOCC1	1599063256	CJSLXWZCDPBBKG-UHFFFAOYSA-N	308.334	1.332	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](C(=O)O)c1ccc(OC)cc1	1596864340	UZRKDEDMHVSTKB-FUWURINLSA-N	304.302	1.381	50	20	DDGD	
COc1ccccc1C(=O)NN=Cc1ccc(C(=O)O)c(O)c1	1776042906	HOHRHFSYOABISV-UHFFFAOYSA-N	314.297	1.863	50	20	DDGD	
COC(=O)/C(C#N)=C/c1ccc(OCCC(=O)O)c(OC)c1	1776115037	KLLJBRXOYQIKHX-YRNVUSSQSA-N	305.286	1.629	50	20	DDGD	
CN1C(=O)C(=NNC(=O)c2ccc(C(=O)O)cc2)c2ccccc21	1776099259	WZENNJKPJUHZMS-UHFFFAOYSA-N	323.308	1.495	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2cn3c(n2)CCCC3)CC[C@@H]1C(=O)O	1776105652	YPVYRMQOUOQDJP-PWSUYJOCSA-N	318.377	1.826	50	20	DDGD	
Cc1cc(=O)n(C)cc1NC(=O)NNc1ccccc1[N+](=O)[O-]	161798098	UXFOZFRISMNMHO-UHFFFAOYSA-N	317.305	1.751	50	20	DDGD	
COC(=O)NNC(=O)c1cc(Br)cc([N+](=O)[O-])c1	158678157	AXSXPMGVPYMSOA-UHFFFAOYSA-N	318.083	1.358	50	20	DDGD	
NC(=O)COc1ccc(C(=O)NNc2ccccc2F)cc1	153178130	FIVLYKRZIYALES-UHFFFAOYSA-N	303.293	1.447	50	20	DDGD	
COc1cccc2[nH]cc(CC(=O)NNC(=O)c3ccncc3)c12	155872874	FBKUHAFHZAGKDE-UHFFFAOYSA-N	324.340	1.575	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H](C)Cn2cccn2)cc(C#N)n1C	57098484	YBMJDNBEGBDJNA-IWTIEGKHSA-N	322.372	1.514	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cc(N(C)C)ccn1	109698494	UANGUQKFQLZWKD-UHFFFAOYSA-N	314.345	1.231	50	20	DDGD	
CSc1ccc(C(=O)NNC(=O)c2cccc(C#N)c2)o1	112245520	JBVORMAYYMZBHM-UHFFFAOYSA-N	301.327	1.948	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NNC(=O)c1cccc(C#N)c1	103525046	LXUMBEWNGTYZHT-XQQFMLRXSA-N	314.389	1.581	50	20	DDGD	
CC[C@@H](C)NC(=O)c1ccc(NC(=O)NNC(=O)OC)cc1	54478528	LXSRZPQWXKETEC-SECBINFHSA-N	308.338	1.607	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)Cc2cccnc2)cc1	116429335	NTXDUXYBZXICTI-UHFFFAOYSA-N	312.373	1.506	50	20	DDGD	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1cc(C)n[nH]1	54057175	RYQJOTXSLBMVDL-UHFFFAOYSA-N	308.725	1.455	50	20	DDGD	
CC(C)Nc1ncccc1C(=O)NNC(=O)c1cccn1C	175030484	UVFHWSDSNKCBCN-UHFFFAOYSA-N	301.350	1.315	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNC(=O)c1c(C)nc2ccccn12	68519159	XRFFJRDQMBLJRI-LBPRGKRZSA-N	318.377	1.609	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1	171167986	RIYHQBWNYBZNFD-QMMMGPOBSA-N	308.363	1.502	50	20	DDGD	
O=C(NNC(=O)c1nnc(-c2ccccc2)o1)Nc1ccccn1	67541736	UBEHCKWXOVEFIS-UHFFFAOYSA-N	324.300	1.598	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCc1cnn(-c2ccccc2)c1	178952158	ASDZNGXJNCBUIZ-FYWRMAATSA-N	310.357	1.975	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1csc(CC(C)C)n1	63660652	HVLALBSLDIPUFE-UHFFFAOYSA-N	314.411	1.322	50	20	DDGD	
CC(C)Cn1cc(NC(=O)C(=O)NNc2cccc(F)c2)cn1	120932551	MZKIXKYMRNUSEV-UHFFFAOYSA-N	319.340	1.760	50	20	DDGD	
CN(C)c1ccc(CCC(=O)NNC(=O)[C@@H]2CCCO2)cc1	32744160	KIHBLRFHZRSPJN-AWEZNQCLSA-N	305.378	1.012	50	20	DDGD	
C[C@H](SCC(=O)NNC(=O)C1CC1)c1nc2ccccc2[nH]1	78715151	QLKLXGCFHDLVOK-VIFPVBQESA-N	318.402	1.915	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CC[C@H](C)[C@H](C)C2)c1	122846950	DWROJIOWHDVPJS-UONOGXRCSA-N	303.406	1.734	50	20	DDGD	
O=C(NNc1ncccn1)c1ccc([N+](=O)[O-])c2cccnc12	121892015	WAVVSSOLZMOZIS-UHFFFAOYSA-N	310.273	1.690	50	20	DDGD	
NNC(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1	121173945	GMSMYROSQKFUHK-UHFFFAOYSA-N	311.267	1.767	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)c2cccc3ccccc23)c1N	184797861	GHJRPKVDYKMTIE-UHFFFAOYSA-N	309.329	1.230	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H](c1ccccc1)C(C)C	79762382	KIXDNYQIYKZVOM-AWEZNQCLSA-N	307.394	1.793	50	20	DDGD	
COc1cccc(NNC(=O)CSCc2cccnc2)n1	180676818	QUBPFXSZJXMUHY-UHFFFAOYSA-N	304.375	1.862	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)[C@@H]1CCCCO1	188189717	GWSCDJGOQAWOIA-JTQLQIEISA-N	305.363	1.612	50	20	DDGD	
CC(C)c1ccc(-n2cc(O)c(C(=O)NN(C)C(N)=O)n2)cc1	181066189	YRBBENXTITVXNL-UHFFFAOYSA-N	317.349	1.357	50	20	DDGD	
O=C(CCCNc1ccc([N+](=O)[O-])cc1)NNC(=O)C1CC1	72752506	DGDGJTDDPBKMQQ-UHFFFAOYSA-N	306.322	1.344	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C[C@H]2CCCO2)c1	46763992	ZKZSWNHBUVMYSJ-CYBMUJFWSA-N	306.362	1.399	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@@H]1[C@H]2CCc3ccccc3[C@H]21	130141290	BRKLUDZZHRQOOO-NWANDNLSSA-N	310.357	1.687	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)NCC(F)(F)F)cc1	49496550	GYWDFKXWGZBGLF-UHFFFAOYSA-N	307.297	1.366	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCSc2ccccn2)o1	87496864	BURWYBCNBIORKB-UHFFFAOYSA-N	305.359	1.926	50	20	DDGD	
O=C(CCN1CCCC1=O)NNc1ncc(Cl)cc1Cl	133164251	KNTMWRKCZKCCJT-UHFFFAOYSA-N	317.176	1.844	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2cc(Cl)nc(N)n2)cc(O)n1	133925789	GSCZSLNQIZSROV-UHFFFAOYSA-N	322.756	1.693	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1csc2ccccc12	194443377	HOKORHCINHSTNC-UHFFFAOYSA-N	307.375	1.882	50	20	DDGD	
CC(C)(C)n1nccc1NC(=O)NNc1nc2ccccn2n1	190434635	AYZTXPVJEQEYGV-UHFFFAOYSA-N	314.353	1.829	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)c2cccc(Cl)c2)ccc1C#N	193134849	CKIFCYZVBOQYSV-UHFFFAOYSA-N	314.732	1.990	50	20	DDGD	
O=C(NCCCOC[C@H]1CCCO1)NNC(=O)c1ccccc1	45162685	SKQRVNCCDWTWDN-CQSZACIVSA-N	321.377	1.216	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)NCC2CCC2)cc1OC	47053523	QUURMSROVHEMEO-UHFFFAOYSA-N	321.377	1.838	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C2CCC(O)CC2)c1	194012168	ATACZZJXYQKSIG-UHFFFAOYSA-N	320.389	1.381	50	20	DDGD	
O=C(NNC(=O)c1cc(F)c(F)c(O)c1F)c1ccccc1	193914336	ZUSFJTMODBMKAC-UHFFFAOYSA-N	310.231	1.884	50	20	DDGD	
Cc1cccnc1C(F)(F)C(=O)NNC(=O)c1ccccc1	195226950	YMOMJUBXNZWWML-UHFFFAOYSA-N	305.284	1.943	50	20	DDGD	
O=C(NCc1ccccc1[N+](=O)[O-])NNc1ccc(Cl)nn1	193202606	YQOKDNPARHLFIP-UHFFFAOYSA-N	322.712	1.865	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)o1	84373695	DQAXHWVXZMCEKF-IINYFYTJSA-N	316.313	1.578	50	20	DDGD	
CNc1snc(C)c1C(=O)NNC(=O)c1ccc(C)cc1O	80388148	IZQHQJZZZLDIJV-UHFFFAOYSA-N	320.374	1.582	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NNC(=O)N(C)C)c1C	194921232	KQUPLCMWRFTYCK-NTEUORMPSA-N	317.393	1.724	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C[C@@H]2CCCOC2)c1	194529547	BAFFVSBAFKNJPU-ZDUSSCGKSA-N	317.414	1.802	50	20	DDGD	
CC(=O)N[C@H](C(=O)NN=c1sc2ccccc2n1C)C(C)C	254900979	HDTDHAILCAMFEC-ZDUSSCGKSA-N	320.418	1.332	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(F)c(C)c2)n1	264044349	SZRYLEMDQJSNRY-UHFFFAOYSA-N	304.325	1.409	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H](CCCO)c1ccccc1	265944199	LYTGJYFKNXZRDD-AWEZNQCLSA-N	307.394	1.877	50	20	DDGD	
CCc1c(C(=O)NNC(=O)C2CCC2)cnn1-c1ccccn1	264704930	KHGJDUQIJUSNNI-UHFFFAOYSA-N	313.361	1.391	50	20	DDGD	
CC(C)CS(=O)(=O)CCC(=O)NNc1ccc(Cl)nc1	266528985	MFWVVRGIBAGQOA-UHFFFAOYSA-N	319.814	1.639	50	20	DDGD	
CC[C@@H](CSC)NC(=O)NNC(=O)c1ccccc1OC	271692296	MCEAQBDTWVOSIF-JTQLQIEISA-N	311.407	1.781	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@H]1CCCCS1(=O)=O	275105414	XFBVTNPMDMZISD-LLVKDONJSA-N	313.335	1.005	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H](C)n1nnnc1C(C)(C)C	276770998	SNWUPPFEEFTVBL-JTQLQIEISA-N	303.370	1.378	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	277160043	DUUMAONLFHITNC-UHFFFAOYSA-N	323.374	1.046	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@@H]1CCN(c2ccccn2)C1	276737385	XFQQESXMHGTJJZ-CYBMUJFWSA-N	312.377	1.690	50	20	DDGD	
CC1(C)CCC[C@H]1C(=O)NNC(=O)Cc1cn2ccccc2n1	274643160	AOXYGBYPGHJROS-ZDUSSCGKSA-N	314.389	1.851	50	20	DDGD	
CCOC(CCNC(=O)NNC(=O)c1ccccc1C)OCC	276439707	YAVCXKVKMBHYNB-UHFFFAOYSA-N	323.393	1.728	50	20	DDGD	
COc1cccc(NNC(=O)NCC2(N(C)C)CCCC2)n1	272523438	JBAZXFJLAYKFAI-UHFFFAOYSA-N	307.398	1.591	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2nc(-c3ccccc3)no2)CCO1	271842259	IALKHJLWSNGBKI-ZYHUDNBSSA-N	302.334	1.995	50	20	DDGD	
CC(C)OC[C@@H]1CN(C(=O)NNC(=O)c2ccccc2)CCO1	376324659	ZBCXBDGQCCMOFU-AWEZNQCLSA-N	321.377	1.167	50	20	DDGD	
CCOC(CCNC(=O)NNc1ncccc1F)OCC	287401518	YWSPZXDXDCXEDE-UHFFFAOYSA-N	300.334	1.636	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NOCCC(F)(F)F)n1	280461481	ZVHPQGGFMVGCNG-UHFFFAOYSA-N	306.244	1.218	50	20	DDGD	
CCCN(NC(=O)[C@@H](O)c1cnn(C)c1)C(=O)OC(C)(C)C	286522896	OKNVNGANDCKVMY-NSHDSACASA-N	312.370	1.132	50	20	DDGD	
CCNC(=O)OC[C@@H]1CCCCN1C(=O)/C(C#N)=C/OCC	286092470	UYQYFFVBXRPKPC-XSNHNAGMSA-N	309.366	1.558	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@@H](F)C(F)(F)F)c1	289315621	BOUYWVDFCPNRIS-SNVBAGLBSA-N	323.246	1.155	50	20	DDGD	
N#C/C(=C\c1c(F)ccc(O)c1F)C(=O)NC[C@@H]1CCCO1	280081653	RHRAGASQKGIQAA-ZKXNXJMVSA-N	308.284	1.873	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)CCc1cnccn1	280353786	TXSAZHWYRZPADH-UHFFFAOYSA-N	312.373	1.580	50	20	DDGD	
Cc1c(CCC(=O)NNc2nccnc2C2CCC2)cnn1C	287235232	PRKHASFVIKGZGO-UHFFFAOYSA-N	314.393	1.862	50	20	DDGD	
Cn1[nH]cc2/c(=N\C(=O)NNC(=O)CC3CCCC3)ccnc1-2	287724426	SUAFIFGESPMVTR-PDGQHHTCSA-N	316.365	1.075	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H](C2CC2)C(F)(F)F)n1	288459609	VWOWHZPXVRGEQB-JTQLQIEISA-N	316.283	1.675	50	20	DDGD	
Cc1cc(C)cc(C(=O)NCC(=O)NCC(Cl)Cl)c1	289135178	RTFYRDGWCJYPKC-UHFFFAOYSA-N	303.189	1.953	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@](C)(C#N)CC)nc1C	285844718	PNVVSDOAOFSXME-AWEZNQCLSA-N	305.338	1.345	50	20	DDGD	
CCNC(=O)CCCC(=O)NNc1nccnc1C1CCC1	286889665	GBHUZSDCTROEDZ-UHFFFAOYSA-N	305.382	1.494	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCC[C@H](O)C2)cc1	298321623	JWWSMCUOVRAIDZ-IPJDOKCGSA-N	300.358	1.976	50	20	DDGD	
C[C@H](NC(=O)C1CCCC1)C(=O)NNc1cccc(Cl)n1	293669679	KEIHZMNCGJALJY-VIFPVBQESA-N	310.785	1.873	50	20	DDGD	
CC(C)(CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C1CC1	292634542	IVLKBSURSLKMNX-AWEZNQCLSA-N	318.373	1.800	50	20	DDGD	
CSSCCNC(=O)N1CCN(C[C@H](C)O)C[C@@H]1C	807231628	OLDFRDLMABWSTI-QWRGUYRKSA-N	307.485	1.094	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1cnn(CC(F)F)c1	292242090	CHFWBYKBHJXIHL-WUXMJOGZSA-N	312.320	1.598	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)CCC(C)=O)cc1OC	298332865	UEFXLPANDXTZNR-UHFFFAOYSA-N	322.361	1.614	50	20	DDGD	
CS(=O)(=O)c1ccccc1CC(=O)NNc1ncccc1F	804220928	NZLKGWQHESLALT-UHFFFAOYSA-N	323.349	1.310	50	20	DDGD	
CC(C)N(CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1	297771415	GEFIKXCVQMUUSI-UHFFFAOYSA-N	320.349	1.229	50	20	DDGD	
C[C@H](OC[C@H]1CCCCO1)C(=O)NNc1ncc(F)cc1F	297025885	SSWXSNUPVWMRNA-GXSJLCMTSA-N	315.320	1.777	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCC1(c2ccccn2)CCC1	805839142	FRXQYRAAOIRAQH-UHFFFAOYSA-N	304.394	1.880	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H](C)NC(=O)C(C)(C)C	298144920	OSRPFVGOHUWMCN-NSHDSACASA-N	305.378	1.307	50	20	DDGD	
O=C(C[C@@H]1OCCc2ccccc21)NNc1ncncc1F	294120909	STROGPSPCDCKIW-ZDUSSCGKSA-N	302.309	1.763	50	20	DDGD	
Cn1nc(Br)cc1C(=O)NNc1cccc(F)n1	804772318	FYKRFBTWGJJQLS-UHFFFAOYSA-N	314.118	1.474	50	20	DDGD	
C/C=C(\C=C\C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)CC	291809509	AQPWQUJCBFIZSX-FDGBQWSTSA-N	300.424	1.391	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@@H]1C[C@@H](c2ccccc2)OC1=O	809738762	IOTURRYVBDREKY-RYUDHWBXSA-N	316.292	1.363	50	20	DDGD	
Cc1nc(CC(=O)NN=C2CC[C@H](C(=O)O)[C@H](C)C2)cs1	814740466	UODONTLNDQSAAA-PELKAZGASA-N	309.391	1.987	50	20	DDGD	
COc1cccc(C(=O)NNc2ncncc2F)c1[N+](=O)[O-]	817081537	FQXUPMQTRJQDGX-UHFFFAOYSA-N	307.241	1.289	50	20	DDGD	
CC(=NNC(=O)N(C)C)c1ccc(-n2c(C)cnc2O)cc1	814820881	FJLLPZBJOWOXMP-UHFFFAOYSA-N	301.350	1.882	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2cnn(C)c2N)o1	814822630	VZAYQZNHNXIEIU-UHFFFAOYSA-N	318.381	1.201	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNc2ncncc2F)nc1C	817082820	MYIMAFILXCWJAG-UHFFFAOYSA-N	319.296	1.253	50	20	DDGD	
COc1cc(NNC(=O)[C@@H]2CCc3nncn3C2)ccc1Cl	816524389	DFKVSSJQWFMDEV-SECBINFHSA-N	321.768	1.646	50	20	DDGD	
CN(NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)C1CC1	819645537	MILULNCPQBSRPV-AWEZNQCLSA-N	313.401	1.654	50	20	DDGD	
CN(NC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C1CC1	819645574	NUPQDOUXSSLKDL-OAHLLOKOSA-N	303.387	1.741	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccc(OC(F)(F)F)cc1	816770691	IFJRZCGZIAWJJL-UHFFFAOYSA-N	301.228	1.471	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1ccc(O)c(Br)c1	814954865	RCPFYOJDZUBBKF-UHFFFAOYSA-N	323.150	1.571	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cc(Cn2cccn2)on1	816340820	SDOISHGBOHMNFV-UHFFFAOYSA-N	319.712	1.120	50	20	DDGD	
Cn1nncc1NNC(=O)c1cccc(Oc2nccs2)c1	816770210	NZRORZHSXUITNG-UHFFFAOYSA-N	316.346	1.821	50	20	DDGD	
COC(=O)C(C)(C)CC=NNC(=O)c1cncc(NC(C)=O)c1	814883694	XAOFXKDWQFOVPY-UHFFFAOYSA-N	320.349	1.345	50	20	DDGD	
Cc1cc(Cl)cnc1NC(=O)C(=O)NNc1ccccn1	812978486	RTZRCYIDJVWCID-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCC#Cc2ccccc2)c1	728944460	ZBTKFBKKZKBENK-UHFFFAOYSA-N	318.336	1.554	50	20	DDGD	
Cc1ccc(NNC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1	824221827	XBADSVXGYNYNKS-OKILXGFUSA-N	313.357	1.389	50	20	DDGD	
CCCNC(=O)NNC(=O)Cc1cncn1Cc1ccccc1	822799374	BXDJUCXBEYSQID-UHFFFAOYSA-N	315.377	1.214	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc(OC2CC2)cc1	829724516	OQXUUVUJKGATOT-JTQLQIEISA-N	312.391	1.583	50	20	DDGD	
CC[C@H](C)CCNC(=O)NNc1nc(O)c2cnn(C)c2n1	820872421	CIKUYIDACNNAMK-QMMMGPOBSA-N	307.358	1.131	50	20	DDGD	
Cc1ccc(CN(C)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	827314943	LRTSMZRUOYYKPL-OCCSQVGLSA-N	305.378	1.593	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C(C)[C@@H]1CCOC1	496347104	WAFSZFIDNUHSKM-OLZOCXBDSA-N	323.393	1.432	50	20	DDGD	
CCn1cc(NC(=S)NNC(=O)c2ccc(Cl)nc2)cn1	726125569	CDIOFDOKOLDHNF-UHFFFAOYSA-N	324.797	1.583	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)CCO2	826448690	GZUOZTZOJOXRRI-UHFFFAOYSA-N	322.328	1.559	50	20	DDGD	
CCN(CCO)NC(=O)CCCC(=O)c1cccc(OC)c1	823884602	BCPOPCMWOYAKCA-UHFFFAOYSA-N	308.378	1.394	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1	496860760	YCOARLZNLGPEAZ-UHFFFAOYSA-N	313.317	1.443	50	20	DDGD	
C[C@@H]1OC(=O)N[C@@H]1C(=O)NNc1ncc(Cl)cc1Cl	496330384	RUFQDJDBOXGSGZ-FFWSUHOLSA-N	305.121	1.328	50	20	DDGD	
CC(C)(C)C=NNC(=O)COc1ccccc1-c1nn[nH]n1	824079283	OALTYVKBMXIWLB-UHFFFAOYSA-N	302.338	1.394	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc2nc(OCC)[nH]c2c1	822800453	ZAVHYIIRUYPIIW-UHFFFAOYSA-N	305.338	1.316	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1ccc(O[C@@H](C)C(=O)O)cc1	490938620	FNWGLPQIFULDCI-GJSJWPQCSA-N	318.329	1.208	50	20	DDGD	
COC(=O)N(C)NC(=O)c1nnn(-c2ccc(C)cc2)c1C	495692297	HEZADXFPJLVFEZ-UHFFFAOYSA-N	303.322	1.227	50	20	DDGD	
Cn1ccc(C(=O)NNC(=O)c2c(Cl)cccc2Cl)n1	727791695	QUUJSPGJTGFGGO-UHFFFAOYSA-N	313.144	1.802	50	20	DDGD	
OB(O)c1ccc(CNCc2cc3c(s2)CCCCC3)cc1	585021630	YARHDKNRJITSFL-UHFFFAOYSA-N	315.247	1.987	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=O)CC(F)(F)F)c(O)n1	823368718	NPMICIHAHJCJQX-UHFFFAOYSA-N	305.256	1.624	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2cccc(C(=O)O)c2)nn1	821092993	BHTYSWOYWOKXQH-UHFFFAOYSA-N	301.306	1.310	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C	495761331	JPOSHMCWEYIMRY-SECBINFHSA-N	303.359	1.219	50	20	DDGD	
CCS[C@H]1CCCCN(C(=O)c2cccc(B(O)O)c2)C1	584946034	WCJHPWCXBCJEPI-AWEZNQCLSA-N	307.224	1.114	50	20	DDGD	
CCOC(=O)NNC(=O)[C@](O)(CC)c1cccc(Cl)c1	496170853	NZQPQSBKULYAIV-ZDUSSCGKSA-N	300.742	1.715	50	20	DDGD	
CCc1c(C(=O)NN(C)[C@@H](C)CO)cnn1-c1ccc(F)cc1	823977058	NFWFGFGXIAHOLW-NSHDSACASA-N	320.368	1.531	50	20	DDGD	
OB(O)c1ccc(CNCc2ccc3c(n2)CCCC3)c(F)c1	585039190	POUNONXOTDBQLU-UHFFFAOYSA-N	314.169	1.069	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=S)NC(C1CC1)C1CC1	734756913	WRKSVTQIYQMDJM-UHFFFAOYSA-N	310.345	1.416	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)C#CC(C)(C)C	837668593	JZVNAIXUYZMXAR-UHFFFAOYSA-N	323.418	1.430	50	20	DDGD	
C[C@@H]1CC(NNC(=O)C[n+]2ccccc2)=C2C(=O)C=CC(F)=C21	730539753	DMSLUXMCBPLZFZ-LLVKDONJSA-O	314.340	1.251	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	831047022	JNQRTXIMBGOCGD-ZWNOBZJWSA-N	307.350	1.663	50	20	DDGD	
CCC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1cnn(C)c1	735512897	LEEJQOJNWTZXFI-AAEUAGOBSA-N	307.398	1.723	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1cn(C)nc1-c1cccnc1	735411883	ZLSWJKDMENZNCN-UHFFFAOYSA-N	309.333	1.278	50	20	DDGD	
C[C@]1(Cc2ccccc2)CCCN1C(=O)c1ccc(B(O)O)cc1	584976482	JNEQHNOSCXQCBQ-LJQANCHMSA-N	323.201	1.604	50	20	DDGD	
CC(=O)N[C@H](CCC(C)C)C(=O)NN=c1cc[nH]cc1Cl	832243878	YPGZFAVYGNURGF-CYBMUJFWSA-N	312.801	1.541	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)NC(=O)NNc1cncc(Cl)n1	838695522	ZMVTZRAYILWUBO-MRVPVSSYSA-N	309.761	1.121	50	20	DDGD	
Cc1ccc(OC[C@@H](C)NC(=O)NNC(=O)C2CCC2)cc1	732242138	APZSQHRANJGYPL-GFCCVEGCSA-N	305.378	1.893	50	20	DDGD	
O=C(NCB(O)O)[C@]1(Cc2ccc(Cl)cc2)C[C@H]2CC[C@H]1C2	585059411	MSSFXKKCSIXDFL-HEHGZKQESA-N	321.613	1.817	50	20	DDGD	
CCCN1CCC[C@@H](C(=O)NNC(=S)NC(C)(C)C)C1	905341950	GJMLUHQPBMVOBK-LLVKDONJSA-N	300.472	1.402	50	20	DDGD	
COc1cccc([C@@H]2C[C@H]2NS(=O)(=O)CBr)c1	832500614	MQKJNEAEIHUHIH-WDEREUQCSA-N	320.208	1.823	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2)c1cc(Cl)ccc1O	839477439	DTLXIGUXLGWIOQ-SFGNSQDASA-N	322.748	1.422	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)[C@@H]2CCCCO2)CC1(Cl)Cl	836587883	CQLRFYJLHQIOIP-KWQFWETISA-N	324.208	1.470	50	20	DDGD	
CN(C)Cc1ccc(C(=O)NN=Cc2ccc(C(=O)O)[nH]2)o1	830620330	UPSIIIYXWNLGEN-UHFFFAOYSA-N	304.306	1.131	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCO[C@H](C(=O)O)C1	836716526	WUPMBSWEQSLYGX-JGVFFNPUSA-N	308.172	1.108	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1)c1ccncn1	834935855	XNCLNYAKLPCAGB-AGIUHOORSA-N	319.409	1.062	50	20	DDGD	
O=C(c1cnn(-c2ccccc2Cl)c1)N1CC[C@@H](B(O)O)C1	585076294	MNCUELIMDZTWNI-LLVKDONJSA-N	319.557	1.215	50	20	DDGD	
Cc1ccccc1[C@H]1CCCN1C(=O)c1cccc(B(O)O)c1	584932776	RAEMRCAFLIDPLU-QGZVFWFLSA-N	309.174	1.652	50	20	DDGD	
O=C(O)[C@H]1CCC[C@H](C(=O)NN=c2cc[nH]c3ccccc23)C1	833183755	JFJJAMOHZOZRBG-RYUDHWBXSA-N	313.357	1.991	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@@H]2CCCOC2)c(F)c1	837206561	NUGFNGLHATVKFC-JTQLQIEISA-N	310.325	1.872	50	20	DDGD	
C[C@@H]1CCc2[nH]nc(C(=O)NNC(=O)OCC(F)(F)F)c2C1	912596181	AEQQRNKHIPRWKM-ZCFIWIBFSA-N	320.271	1.468	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCC2(C)OCCO2)cc1	838556376	QFGGGWOUKDWPFJ-UHFFFAOYSA-N	309.366	1.865	50	20	DDGD	
O=C(NN=C1CCCC[C@H]1N1CCCCCC1)C(=O)NC1CC1	749809834	KTASYABCZPJERG-OAHLLOKOSA-N	320.437	1.556	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc3c(c2)CCO3)n1	746624123	XRPZXSBNJSJRFC-UHFFFAOYSA-N	300.318	1.485	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccc(C(F)(F)F)nc1	918366849	WSQVXYWKAQQRGZ-UHFFFAOYSA-N	315.173	1.814	50	20	DDGD	
CC(=O)c1cc(C(=O)NN(C)C[C@@H](C)O)ccc1OC(C)C	910140070	GXTQXFQYYJVDPV-LLVKDONJSA-N	308.378	1.634	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H](C)C(=O)OC(C)(C)C	840336674	RYMPIXXQHPCQNS-SNVBAGLBSA-N	322.361	1.434	50	20	DDGD	
C#CCCOc1ccc(C=NNC(=O)N2CCOCC2)cc1	745591829	IWQLCJMFMIOWDR-UHFFFAOYSA-N	301.346	1.464	50	20	DDGD	
O=C(O)CCCNC(=O)NNC(=O)Nc1cc(F)cc(F)c1	840992559	HAZAQZSWMNBURI-UHFFFAOYSA-N	316.264	1.165	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cccc(OCC#N)c1	740762400	PFZSEHQWCBRXCJ-UHFFFAOYSA-N	316.361	1.344	50	20	DDGD	
Cc1cc(C(=O)NN(C)C[C@@H](C)O)nn1-c1cccc(Cl)c1	910151268	BRMYFFPZGFLPHC-LLVKDONJSA-N	322.796	1.792	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CCO[C@@H]2C)cc(OC)c1OC	842551728	DUVYITMRHVASQD-PWSUYJOCSA-N	322.361	1.588	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1[nH]c(O)nc1C)c1ccccc1	847482320	UKTGHPQDCPGTRL-LLVKDONJSA-N	302.334	1.379	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	746092168	VEPCZGJRSDUKGI-PHIMTYICSA-N	320.349	1.229	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1ccc(O)c(Br)c1	844591446	KKUJRVPYGZBDJF-UHFFFAOYSA-N	315.167	1.766	50	20	DDGD	
C[C@H]1CC[C@H](C(=O)NNC(=O)CNC(=O)c2cccs2)CC1	844362796	DQJAFMGJHYTMGN-XYPYZODXSA-N	323.418	1.452	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)[C@H](C)OCCOC)cc1	748254321	YOSDNRQAUCBZOW-ZDUSSCGKSA-N	308.378	1.977	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)Cc1ccncc1)C(=O)N2	747640739	IMRVDNUSMHFCDY-UHFFFAOYSA-N	310.313	1.105	50	20	DDGD	
CCC(=NNC(=O)COc1ccccc1OC)c1cnn(C)c1	741805037	IFNJVYLFMXIBMB-UHFFFAOYSA-N	316.361	1.738	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21)c1nc2ccccc2s1	913818279	VVTSAXXVRPPUDW-VSYUYLJXSA-N	315.354	1.282	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)CC(F)(F)F)c1ccc(C)o1	746778924	YYKRGKAHUIZHTP-MRVPVSSYSA-N	323.271	1.558	50	20	DDGD	
NC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ccc(Cl)cc1	841953683	RLBHRBSMSOZUII-AAEUAGOBSA-N	324.812	1.802	50	20	DDGD	
CCc1n[nH]cc1C(=O)NNC(=O)c1ccc(Cl)cc1OC	917976544	JTMFHGIXUYCZDA-UHFFFAOYSA-N	322.752	1.709	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl	910167834	NQRFCEYDFYMABP-QMMMGPOBSA-N	301.730	1.135	50	20	DDGD	
Cc1c(NNC(=O)c2ccc(=O)n(C)c2)cccc1[N+](=O)[O-]	748670592	SYUZMXKIPXHINJ-UHFFFAOYSA-N	302.290	1.359	50	20	DDGD	
N#Cc1ncn(CC(=O)NNc2cc(Cl)ccc2Cl)n1	748512710	VMBQMPFWPLEKKD-UHFFFAOYSA-N	311.132	1.600	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H]2C[C@H]2C2CCC2)nc1C	845921236	PSXFGELCCRBCTQ-NWDGAFQWSA-N	318.377	1.841	50	20	DDGD	
COC/C(C)=C\C(=O)NNC(=O)COc1ccc(C)c(C)c1	845078894	HBDIOEVIKOFEAA-XFFZJAGNSA-N	306.362	1.422	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCN1C1CCCC1)c1ncccn1	841447650	NXYAYGJWNGQKIL-ZDUSSCGKSA-N	317.393	1.035	50	20	DDGD	
CC(C)(C)n1cc(C(=O)C(=O)NNC(=O)NC2CCCC2)cn1	744053249	MGESIRYKIKCOPW-UHFFFAOYSA-N	321.381	1.094	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)N[C@@H]1CCSC1	743592018	VQZCLAGPSJMKBL-GFCCVEGCSA-N	318.402	1.477	50	20	DDGD	
Cc1ccc2ncccc2c1S(=O)(=O)NNC(=O)C1CCC1	748642214	ACNQPQGZTFQRSU-UHFFFAOYSA-N	319.386	1.653	50	20	DDGD	
CC[C@](O)(CC(=O)NNc1nccnc1OC)c1ccccc1	840572548	UEHLNGWNFDREFN-INIZCTEOSA-N	316.361	1.616	50	20	DDGD	
Cc1nonc1CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	845084355	ZDHXLERGHRFZJN-UHFFFAOYSA-N	318.377	1.284	50	20	DDGD	
COc1ccccc1CC(=O)NN=C(C)c1cn(C)nc1C	920373424	GKJARTULEDQBFN-UHFFFAOYSA-N	300.362	1.820	50	20	DDGD	
CCCNC(=O)NNC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2	921091418	IJNSDWYDVKCDQR-CPWXYTRJSA-N	309.410	1.448	50	20	DDGD	
COC(=O)N1CC(NC(=O)NNc2c(F)cc(F)cc2F)C1	921550573	WNEPEADAGNCKAG-UHFFFAOYSA-N	318.255	1.181	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@@H](C)c2ccncc2)nc1	759737345	BEYFAHMBZVTHAF-LLVKDONJSA-N	314.345	1.900	50	20	DDGD	
CC(C)C(=O)NCCNC(=O)NC[C@]1(C)C[C@H]1Br	856821124	JYAKEEUAACKZLV-SKDRFNHKSA-N	320.231	1.231	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=O)CC2CCCC2)C1	857853315	BUNPEYGUDJZVEU-GXFFZTMASA-N	304.394	1.803	50	20	DDGD	
CO[C@H](C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)C1CCCCC1	853391570	RURUAQCMWUQXJI-OAGGEKHMSA-N	323.437	1.547	50	20	DDGD	
C[C@@]1(CNc2ncnc(-n3cccn3)c2N)C[C@@H]1Br	856788071	UTOAWSWKRRTAPJ-UFBFGSQYSA-N	323.198	1.830	50	20	DDGD	
CCC[C@H](C(=O)NNc1ccc(C)c(F)c1)S(N)(=O)=O	856228208	RWQKONOEYVBUSY-LLVKDONJSA-N	303.359	1.034	50	20	DDGD	
Cc1nnc(NNC(=O)CC[C@H](C)c2ccccc2)nc1O	750530187	JIWBCONORAEUCR-JTQLQIEISA-N	301.350	1.913	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)N[C@H]1CC=CCC1	853764451	VKDBRTCXKPOQEW-LBPRGKRZSA-N	324.425	1.368	50	20	DDGD	
CN(C)C1(CNC(=O)NNC(=O)c2cn[nH]c2)CCCCCC1	858124275	RNEGYYBAYYBQLH-UHFFFAOYSA-N	322.413	1.008	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)COc2ccc(C)cc2)nc1	759729277	UFEHLKAZBAUEDR-UHFFFAOYSA-N	315.329	1.699	50	20	DDGD	
CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)c1cn[nH]c1	858183340	CJKXHSALVGJNRY-AAEUAGOBSA-N	307.398	1.959	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1cc(C)ccc1C(F)(F)F	850407508	BQUDHSOHVJVRLZ-UHFFFAOYSA-N	319.239	1.340	50	20	DDGD	
CCN1CC[C@@H](NC(=O)NNc2ccc(Cl)c(C)c2)C1=O	922384434	SPZYQISPUSWJFN-GFCCVEGCSA-N	310.785	1.895	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2CCn3ccnc3C2)C[C@H]1Br	857385135	DRMIDZYEEBUZHQ-OPQQBVKSSA-N	312.211	1.735	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ncccc1OCC(F)(F)F	854923954	ALMPBRPTLCUTHY-UHFFFAOYSA-N	322.312	1.104	50	20	DDGD	
CC(Cn1cncn1)=NNC(=O)[C@H](C)Oc1ccc(F)cc1	853275576	SGQNVALCTQBIFC-NSHDSACASA-N	305.313	1.377	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)C(C)(C)C)c1c[nH]nc1C	853408849	ZIXZDQWCMMKQOG-UHFFFAOYSA-N	307.398	1.501	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C	858092516	XIVFLEHHGRMAED-BSTOTGJRSA-N	321.333	1.415	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@H]2CCc3cc(F)ccc32)n1	857132610	LLFOWWPNGVSPSZ-ZDUSSCGKSA-N	315.352	1.855	50	20	DDGD	
CCN(CCSC)C(=O)NNC(=O)c1cccc(F)n1	852711037	CFOUWGHVSFTBCW-UHFFFAOYSA-N	300.359	1.260	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)NCC1=CCCC1	852632735	FXAQHHULXLRRLQ-UHFFFAOYSA-N	309.391	1.827	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cc(O)cc(C#N)c1)C1CC1	855099857	PKXGXINFSBCPJR-MRVPVSSYSA-N	304.375	1.171	50	20	DDGD	
CC1C[C@@H]2CC[C@H](C1)N2CC(=O)NNC(=O)c1ccc(F)cc1	852700339	LVRDSXJFJFOPRO-PHTAMDTFSA-N	319.380	1.850	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2	751210081	YSGLTFBOTRDVKK-GARJFASQSA-N	321.402	1.062	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(N(C)C)nc2ccccc12	755162395	LPTLQTWSIQOECF-UHFFFAOYSA-N	301.350	1.265	50	20	DDGD	
O=C(NNC(=O)N1CCOC2(CCCC2)C1)c1cccc(F)n1	852709489	WKPIRPAZFHJIAT-UHFFFAOYSA-N	322.340	1.220	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@H]1CCC[C@H](OC)C1	854285526	MBLUAELXNKADML-RYUDHWBXSA-N	317.455	1.066	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)[C@@H]2CCO[C@H]2C)cc1F	853368069	BBULCJIXVZMUPL-GXSJLCMTSA-N	308.309	1.487	50	20	DDGD	
C=CCN(CC(=O)NNC(=O)c1cccc(C#N)c1)C(C)(C)C	852554791	WJKOEPVEFNDADR-UHFFFAOYSA-N	314.389	1.606	50	20	DDGD	
Cn1cc(C(=O)OC[C@@H](CBr)C2CC2)ccc1=O	859505160	LIJGFDBPWAFTCN-LLVKDONJSA-N	314.179	1.963	50	20	DDGD	
CCC(C)(C)CC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855831422	RGTJERLRHRUCBM-UHFFFAOYSA-N	313.442	1.903	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc(C(=O)O)c(F)c1	853315771	ZSBWXWZAWJGDBU-VIFPVBQESA-N	312.297	1.026	50	20	DDGD	
O=C(NCCCOC(F)F)NNc1ccc([N+](=O)[O-])cc1F	854046932	JWQOFWLXHRPUFJ-UHFFFAOYSA-N	322.243	1.989	50	20	DDGD	
C[C@H](C(=O)NNc1ncc(Cl)cn1)n1nnnc1C(C)(C)C	857357493	UBOKEJYNKOYSGP-SSDOTTSWSA-N	324.776	1.118	50	20	DDGD	
CC(Cc1ccsc1)=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	853387722	KYSVYVHONPAWRK-KGLIPLIRSA-N	307.419	1.646	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)c2cc[nH]n2)[C@H]1Oc1ccccc1	853392746	SYUCUVKKTWBQLA-LSDHHAIUSA-N	314.345	1.752	50	20	DDGD	
Cc1cc(=NNC(=O)C2CN(C(=O)C3CCCCC3)C2)cc[nH]1	862515067	HTZCLWHAORAJDH-UHFFFAOYSA-N	316.405	1.294	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C=NNC(=O)c2cn[nH]c2)C1	863153863	GCHUHGWWNHOORM-IAQYHMDHSA-N	319.365	1.382	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(Cc1ccccn1)CC(C)C	932445452	GIFPCCWNIBAKHC-ZDUSSCGKSA-N	306.410	1.486	50	20	DDGD	
CC(C)(C)c1cnc(NC(=O)NNC(=O)c2cn[nH]c2)s1	860701872	ITGYMZDAFMWBCP-UHFFFAOYSA-N	308.367	1.630	50	20	DDGD	
Cc1c(CCC(=O)NNc2cnnc3ccccc23)cnn1C	760138142	UBAGLDHZBQMLQL-UHFFFAOYSA-N	310.361	1.748	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)c2c[nH]nc2C)c(C)c1	932225679	HZJMHLKZFSSPHQ-UHFFFAOYSA-N	302.334	1.039	50	20	DDGD	
O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)C1CSC1	866875234	WKSVSUAVEJIWDJ-UHFFFAOYSA-N	322.358	1.489	50	20	DDGD	
Cc1nn(-c2ccc(Br)cc2)cc1C=NNC(N)=O	763338996	NGDVVIOSVBBZJU-UHFFFAOYSA-N	322.166	1.945	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)c2cn[nH]c2)cc1	862470299	MCVLBMMYYMWMLN-UHFFFAOYSA-N	315.377	1.326	50	20	DDGD	
C[C@@H](NNC(=O)Cc1nn(C)c2ccccc12)C(F)(F)F	862322019	DCJNBAKYFDVART-MRVPVSSYSA-N	300.284	1.687	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1Cl	862456595	ZQHKIWOUOKTJHR-NSHDSACASA-N	323.780	1.044	50	20	DDGD	
Cc1ccc(NNC(=O)/C=C\CN2CCOCC2)c(Cl)c1	868736008	WGQQSOPOOAUXQP-IHWYPQMZSA-N	309.797	1.980	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)c1	768711324	LKADSZKWMSGJHC-SECBINFHSA-N	319.752	1.061	50	20	DDGD	
C[C@H](NNC(=O)c1cc(-c2cccnc2)on1)C(F)(F)F	862309611	NONFJDKSZKQNRP-ZETCQYMHSA-N	300.240	1.922	50	20	DDGD	
CCc1ccc([C@H](C)C(=O)NNC(=O)Cc2cc(C)[nH]n2)cc1	869012369	OGYCTOIXEDHXDO-LBPRGKRZSA-N	314.389	1.774	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=CC[C@@H]2CCOC2)c1	765573790	RQSWUPJLESTKGQ-LLVKDONJSA-N	310.375	1.232	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@]1(CC)CCNC1=O)c1ccccc1	865695874	RMWSCYVNPDPMDK-SUMWQHHRSA-N	317.389	1.244	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCC(=O)[C@@H]1CCCOC1	769117646	YAYLRBMSYNCWFI-SJWLEHQBSA-N	315.325	1.838	50	20	DDGD	
CN1CCCC[C@@H]1C(=O)NNC(=O)CSc1ccccc1O	765250774	IBRSWKZIXDIZLI-LLVKDONJSA-N	323.418	1.116	50	20	DDGD	
CCOC(=O)c1ccc(C=NNC(=O)OCC(F)(F)F)[nH]1	872390106	AQICCWHVFSYUIJ-UHFFFAOYSA-N	307.228	1.814	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2[nH]cnc2C)c1C	873798814	OIWNXZUDCQENHR-GFCCVEGCSA-N	316.361	1.563	50	20	DDGD	
C[C@H]1COCCCN1C(=O)NNC(=O)C(C)(C)c1ccccc1	773006065	XNVWNIDFXPXJMH-ZDUSSCGKSA-N	319.405	1.816	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccc(C#N)cc1)[C@H]1CCCOC1	779992394	IPOWYZXGTWUKLO-FZMZJTMJSA-N	316.361	1.317	50	20	DDGD	
C[C@@H](CC(=O)NNc1nncc(N)c1Cl)c1ccncc1	1118854622	NDOYZLOLZQIYTH-QMMMGPOBSA-N	306.757	1.744	50	20	DDGD	
O=C(CO)NN=C1CCc2c(F)ccc(Br)c21	776775730	KXSFKLBSQQOSBB-UHFFFAOYSA-N	301.115	1.347	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CC[C@@H](C)C2)cc1C	776338301	IAWLIIGYQKMXNY-MFKMUULPSA-N	317.389	1.826	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@@H]1C(=O)O)c1cc2c(s1)CCC2	872832144	VFWBVSFJBSHJAL-ZJUUUORDSA-N	322.386	1.499	50	20	DDGD	
C[C@H]1CN(C[C@@H](C)C(=O)NN=CC2CCN(C)CC2)C[C@@H](C)O1	872337136	UXGRUZPXEVRUEV-KFWWJZLASA-N	324.469	1.176	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=S)Nc2ccccc2OC)CC1	873770518	OTCARTFLDONQDI-UHFFFAOYSA-N	321.402	1.772	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@](C)(CC)OC)c1	874951200	BSLZEDNLHLRWHM-HNNXBMFYSA-N	305.403	1.801	50	20	DDGD	
N#CSCCCNC(=O)CCOc1cccc(C(N)=O)c1	773585238	LXNDJGZTKQFDBC-UHFFFAOYSA-N	307.375	1.275	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1CNC(=O)NNC(=O)c1ccccc1F	774786038	IBTDWIQHNJHKEO-ZWNOBZJWSA-N	309.341	1.585	50	20	DDGD	
CC[C@@H](Cc1cn(/C=C\CBr)nn1)C(=O)OC	881294765	CESZWWFJHXGBQA-RNEXMXFGSA-N	302.172	1.885	50	20	DDGD	
O=C(NNC(=O)C1CCN(C2CC2)CC1)c1ccccc1O	788266097	TXIOALOIWJSOFP-UHFFFAOYSA-N	303.362	1.028	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cc2c(s1)CCOC2	883062792	RIUWFNAANWKKSC-UHFFFAOYSA-N	310.375	1.008	50	20	DDGD	
C[C@H](COCC(=O)NNC(=O)C1CCOCC1)c1ccccc1	883071592	GPPQLHCYWQRYRE-CYBMUJFWSA-N	320.389	1.381	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1F	788504214	MXGFVOVGDZHSKX-ZETCQYMHSA-N	315.326	1.772	50	20	DDGD	
CN(C)C(=O)C1(CNS(=O)(=O)CCCCl)CCCC1	881892457	JGDUWMNGJFNZLU-UHFFFAOYSA-N	310.847	1.183	50	20	DDGD	
CN(CCCNC(=O)C1CCC1)S(=O)(=O)CCCCl	882127357	IEWKHICNHKJVLX-UHFFFAOYSA-N	310.847	1.183	50	20	DDGD	
C[C@@H](C(=O)NN=c1cc[nH]cc1)c1ccc(S(C)(=O)=O)cc1	780761497	RQAGDVKMQUQDPI-LLVKDONJSA-N	319.386	1.154	50	20	DDGD	
C[C@H]1COCC1=NNC(=O)c1nn(-c2ccccc2)cc1O	884401381	OCRGUWANMGAQDU-JTQLQIEISA-N	300.318	1.330	50	20	DDGD	
COc1c(F)ccc(F)c1C(=O)NNC(=O)C1CCOCC1	883065798	WMNBDGANNHSLRY-UHFFFAOYSA-N	314.288	1.161	50	20	DDGD	
O=C(C[C@@H]1Oc2ccccc2NC1=O)NNc1ccnc(F)c1	781363505	FNRNOXYQBJJEFZ-LBPRGKRZSA-N	316.292	1.454	50	20	DDGD	
Cc1ccc2nc(CNS(=O)(=O)CCCCl)cn2c1	881803871	LCGDBEFCLMRAGW-UHFFFAOYSA-N	301.799	1.691	50	20	DDGD	
CC(=O)N1CC[C@H](CN(C)S(=O)(=O)CCCCCl)C1	780822318	VTPRDXHYQZWFMO-GFCCVEGCSA-N	310.847	1.135	50	20	DDGD	
CCCC(=O)N1CCCC[C@H]1C(=O)NNc1ccc(C#N)cn1	899661609	CTFCULBCDXTXKA-ZDUSSCGKSA-N	315.377	1.578	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)Nc2noc(C)n2)c1	781111534	NBCKGZIZGWDWPE-UHFFFAOYSA-N	324.341	1.849	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1CC[C@H](CN)CC1	892452155	LHEXYNJFXFCEGM-JOCQHMNTSA-N	304.394	1.457	50	20	DDGD	
CSSCCNC(=O)NCCCOC[C@H]1CCOC1	790732587	RUFWQCMMHASKPB-LLVKDONJSA-N	308.469	1.740	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2csc(O)n2)cc1	792019978	BZPASIWRFFQUPR-UHFFFAOYSA-N	323.399	1.710	50	20	DDGD	
C=C(CN(C)C)C(=O)NNc1ccc(C(=O)OCC)c(C)c1	794646981	NYQZJTUGOWLCPN-UHFFFAOYSA-N	305.378	1.733	50	20	DDGD	
C=C[C@@H](NNC(=O)COc1ccc(C(C)(C)C)cc1)C(=O)OC	799974971	FWIWMTIQXJUSOY-CQSZACIVSA-N	320.389	1.711	50	20	DDGD	
CCOc1cccc(C=NNC(=O)N2CCN(C)CC2)c1O	790178717	JLAJCBZFSJSJNN-UHFFFAOYSA-N	306.366	1.082	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)c2ccc(N)cc2)on1	792882783	AJRZTIYBKBUDGU-UHFFFAOYSA-N	302.290	1.197	50	20	DDGD	
Cc1oc(C(C)C)cc1C(=O)NNC(=O)C(=O)N1CCCC1	795874624	XPNJHRDATDXVMW-UHFFFAOYSA-N	307.350	1.095	50	20	DDGD	
CC[C@H](CN1CCCC1)NC(=O)NNc1nc2ccccn2n1	790423069	DWWJTCDGLQRCSQ-GFCCVEGCSA-N	317.397	1.230	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cccnc1C(F)(F)F	798304585	BYJKWRMIZWMTAH-UHFFFAOYSA-N	304.297	1.395	50	20	DDGD	
COC(=O)c1occc1C=NNC(=O)Cc1csc(C)n1	794751072	KUEQNRNLMBBGSV-UHFFFAOYSA-N	307.331	1.524	50	20	DDGD	
CO[C@@]1(C)CCCN(CC(=O)NNC(=O)c2cccs2)C1	791557641	OCJUQSFPLJJILQ-AWEZNQCLSA-N	311.407	1.010	50	20	DDGD	
C[Si](C)(C)c1ccc(CC(=O)NNC(=O)C2CCC2)cc1	798291439	JWBIWHJMYLKMBB-UHFFFAOYSA-N	304.466	1.722	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)C(=O)OC)c1cccc(Cl)c1	1318876278	GUFPZIRFEOFRLX-JTQLQIEISA-N	313.741	1.295	50	20	DDGD	
Cc1cc(NNC(=O)c2cncc(OCC(F)F)c2)nc(C)n1	1319300874	RDRPLMDATRRIDB-UHFFFAOYSA-N	323.303	1.889	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc(Cn2cccc2)cc1	1318342640	SCQRVWNMMHPIEM-UHFFFAOYSA-N	322.368	1.950	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)C2CCNCC2)cc1[N+](=O)[O-]	1326075861	LQKIDRPEOMSFEE-UHFFFAOYSA-N	321.337	1.056	50	20	DDGD	
CC1(C)C[C@@H]1NC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1328530241	FWORYORVUKCILO-YVZVNANGSA-N	303.200	1.191	50	20	DDGD	
Cn1ccc(CC(=O)NNc2cncc(Br)c2)n1	1329528471	BEHOQNVOBLIKJY-UHFFFAOYSA-N	310.155	1.263	50	20	DDGD	
CSSCCNC(=O)N1CCC[C@@H](C(=O)NC2CC2)C1	1322277364	IQCHNXXMNNDHKZ-SNVBAGLBSA-N	317.480	1.698	50	20	DDGD	
CN(CC1CC1)c1nnnn1C[C@]1(C)C[C@H]1Br	1337713941	LWTQIBDSHADWAN-KOLCDFICSA-N	300.204	1.693	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1ccc(-n2ccnc2C)cc1	1252666511	VHLBEEOZQZZPEM-UHFFFAOYSA-N	300.318	1.194	50	20	DDGD	
Cc1onc(-c2ccncc2)c1C(=O)NNC(=S)NC(C)C	1333398406	OXLPRSLWAUSFBH-UHFFFAOYSA-N	319.390	1.562	50	20	DDGD	
CC[C@]1(C(=O)NNc2ccc(C(C)(C)C)nn2)CCNC1=O	1330690763	JYNRDKFAKNBKLT-HNNXBMFYSA-N	305.382	1.134	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cc(Cl)ncc2C)n1	1334871680	CUTJLWNUSGYORU-UHFFFAOYSA-N	321.768	1.318	50	20	DDGD	
Cc1ccc(-c2nn(C)cc2C=NNC(=O)C2CCOCC2)o1	1333655139	TWOZJFFSBUXSGN-UHFFFAOYSA-N	316.361	1.865	50	20	DDGD	
N#CC1(CNC(=O)NNc2cc(F)ccc2F)CCOCC1	1347091404	RYNLDWZNUFPXKG-UHFFFAOYSA-N	310.304	1.911	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@H]1CCCCN1C	1353289378	DVTTVOLRHYAULB-GFCCVEGCSA-N	320.393	1.124	50	20	DDGD	
Cc1n[nH]c(C)c1CCC(=O)NNc1ccc(F)c(C(=O)O)c1	1600669305	YKCXYJJRGLYXRX-UHFFFAOYSA-N	320.324	1.940	50	20	DDGD	
O=C(NCCOC1CCC1)NNc1cccc(C(=O)O)c1F	1601503019	FEKUHOMYXOMGDC-UHFFFAOYSA-N	311.313	1.719	50	20	DDGD	
O=C(NNc1ccc(Br)c(F)c1)[C@H]1C[C@H]1C(=O)O	1601554539	GOKYHDPJGQGHST-NKWVEPMBSA-N	317.114	1.752	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2cnc3cccnn23)cc1	1602128769	VRTKSTKWEDLATR-UHFFFAOYSA-N	311.301	1.113	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2cccc3nc[nH]c23)cc1	1608782045	YHAPPKNNZXOPBY-UHFFFAOYSA-N	310.313	1.947	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@H]1CC[C@@H](C(=O)O)C1	1605687313	MECXDMJWLACGLD-QWHCGFSZSA-N	304.346	1.268	50	20	DDGD	
Cc1ccc(NNC(=O)c2ncc3n2CCCC3)cc1C(=O)O	1600463609	AXVKFLVSUJNLDT-UHFFFAOYSA-N	314.345	1.983	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)Cc2ccc(C(=O)O)nc2)n1	1600705453	MSPYYPXJQGHNGV-UHFFFAOYSA-N	321.724	1.217	50	20	DDGD	
Cc1c(NNC(=O)c2cnn3c2OCCC3)cccc1C(=O)O	1607551935	ASHFETFDXJEDJY-UHFFFAOYSA-N	316.317	1.429	50	20	DDGD	
C[C@@H]1CNCC[C@H]1NC(=O)NNc1ccc(C(=O)O)c(F)c1	1604815609	TTXHCIZSWOERGK-PRHODGIISA-N	310.329	1.148	50	20	DDGD	
O=C(O)CCOc1ccc(NC(=O)NNc2ncccn2)cc1	1602026526	MWLRWEBVONYOON-UHFFFAOYSA-N	317.305	1.479	50	20	DDGD	
O=C(NCCc1cscn1)NNc1ccc(C(=O)O)c(F)c1	1601514527	BYSCGNJLBZTHLU-UHFFFAOYSA-N	324.337	1.849	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H](C(=O)O)C2CC2)c1	1574359645	SOWUPVMXULPMLK-GFCCVEGCSA-N	321.402	1.732	50	20	DDGD	
Cn1c(C(=O)NNC(=O)C(C)(C)C)ccc1[C@@H]1CCCCN1	1579944432	LKCQSTHKOKKZKQ-NSHDSACASA-N	306.410	1.647	50	20	DDGD	
N#CC1=CCN(C(=O)C2CCC(NC(=O)C3CC3)CC2)CC1	1649783512	KAAPPACFVVBPMI-UHFFFAOYSA-N	301.390	1.754	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H]2CCC[C@@H](N)C2)cc1	1579724376	WSZJOZGOTHMXPK-QWHCGFSZSA-N	304.394	1.072	50	20	DDGD	
Cc1cccc(NNC(=O)Nc2ccc(OCCN)cc2)n1	1579771816	JWGUJLKEVXBFIY-UHFFFAOYSA-N	301.350	1.876	50	20	DDGD	
CC1(C)C[C@]1(C(=O)O)C(=O)NNC(=O)NCc1ccccc1	1589218852	FEJCBPMYRPELHS-OAHLLOKOSA-N	305.334	1.018	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1ccncc1)C2	1845164085	JQKBZDOCUBNZNN-ZDUSSCGKSA-N	321.808	1.916	50	20	DDGD	
Cc1cc(C(=O)N2CC3(CCCN3C(=O)[C@@H](F)Cl)C2)c[nH]1	1843363890	FFRBXTYQUMKPDU-LLVKDONJSA-N	313.760	1.675	50	20	DDGD	
O=C(N[C@@H]1CCNC1)[C@]1(c2ccccc2)C[C@@H]1Br	1580742350	SHXGCCIYOJNWKJ-DYEKYZERSA-N	309.207	1.570	50	20	DDGD	
CC[C@H]1C[C@H](CC(=O)NNc2ccc(C(=O)O)cn2)CCO1	1595413511	NSULNMKDILOGOV-PWSUYJOCSA-N	307.350	1.818	50	20	DDGD	
C[C@@]1(C(=O)NN=Cc2c[nH]c3ccc(C(=O)O)cc23)CCCO1	1593756524	WEGAWENCRNDVDT-INIZCTEOSA-N	315.329	1.885	50	20	DDGD	
C[C@@H]1CN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C[C@H]1C(=O)O	1599851783	OQQNGRUYPBZEIS-XVNHTCHDSA-N	300.314	1.478	50	20	DDGD	
O=C(C[C@H]1OCc2ccccc21)NNc1ncccc1C(=O)O	1594679044	UTHGWOJPZAXZCI-CYBMUJFWSA-N	313.313	1.885	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1ccc(C(=O)O)cc1C	1776028625	QMYADTSDSOFXGA-UHFFFAOYSA-N	314.345	1.808	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1OC	1776118177	VDUMVRKTFXPAPJ-KPKJPENVSA-N	304.302	1.063	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)O)c(F)c1)c1ccc(O)nc1	1776094536	YBJAOQUWIYCYFS-UHFFFAOYSA-N	303.249	1.388	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H](C)c1cnn(C)c1	158720046	AIKNMVJJILKFOE-SECBINFHSA-N	309.801	1.963	50	20	DDGD	
CNC(=O)CCCC(=O)NNc1nc(-c2ccccc2)no1	153198201	YSIOTPNTMGHLGG-UHFFFAOYSA-N	303.322	1.096	50	20	DDGD	
N#Cc1ccc(NCC(=O)NNc2ncccc2[N+](=O)[O-])cc1	153595235	CEALUQIQBBVZTE-UHFFFAOYSA-N	312.289	1.417	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cccc3ccccc23)on1	156222941	ZAXOVRWPQCQMAP-UHFFFAOYSA-N	311.297	1.911	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1ccnn1C[C@H]1CCOC1	159225057	JAKISHHICQWPQA-LLVKDONJSA-N	323.397	1.509	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)c2ccc(CCl)cc2)CC[C@H]1O	311346254	CDBGWJTUXKDNFB-ZWNOBZJWSA-N	303.811	1.817	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(N2CCN(C)CC2)cc1	7707660	NUJRGWFWSLXKJV-BUHFOSPRSA-N	314.389	1.821	50	20	DDGD	
COC[C@@H](C)NC(=S)NNC(=O)c1cc2ccccc2o1	8356722	CJFOAPHVSDYEPD-SECBINFHSA-N	307.375	1.577	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccc(C)c(F)c2)c1O	54144750	BJRKFKUNTXHZHS-UHFFFAOYSA-N	318.304	1.923	50	20	DDGD	
CNC(=O)NNC(=O)[C@@H](CC(C)C)NC(=O)c1ccccc1C	56371146	NYWDUNDJWLNIAX-CYBMUJFWSA-N	320.393	1.100	50	20	DDGD	
Cc1ccccc1OCCCC(=O)NNC(=O)c1c[nH]nc1C	109858243	BMEPSGGWDCIVKU-UHFFFAOYSA-N	316.361	1.647	50	20	DDGD	
C[C@H](c1ccccn1)N(C)C(=O)NNC(=O)Cc1cccnc1	103518636	UMEQUAJMNJUTNR-GFCCVEGCSA-N	313.361	1.453	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCc2ccc(F)cc2)n1	175159914	IXTPFGZFSCXMNP-UHFFFAOYSA-N	319.340	1.802	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(C)Cc1ccc(C(=O)OC)cc1	178954783	MGCBUMFFUFHENT-SDNWHVSQSA-N	302.330	1.876	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNc1ccccc1)N1CCOCC1	114920708	IEWNSHBGEMDLPX-OAHLLOKOSA-N	306.410	1.670	50	20	DDGD	
O=C(COc1ccc([N+](=O)[O-])cc1)NNc1ccc(Cl)nn1	118499679	PIHNSYBZYQNPLO-UHFFFAOYSA-N	323.696	1.560	50	20	DDGD	
O=C(CC[C@@H]1CCCCO1)NNC(=O)Cc1ccc(F)cc1	110604523	QSYFDHUWTROPBX-AWEZNQCLSA-N	308.353	1.865	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCCCOCC1CC1	66976435	VPGCMFXFVREJJG-UHFFFAOYSA-N	323.368	1.515	50	20	DDGD	
CC(C)c1ccc(OCC(=O)NNC(=O)c2cnn(C)c2)cc1	117679531	GGFAYXSMZZIBSE-UHFFFAOYSA-N	316.361	1.384	50	20	DDGD	
C[C@@H](CCN(C)C)NC(=O)NNC(=O)c1ccc(Cl)cc1	68598094	JFYFIZVSRXWTAD-JTQLQIEISA-N	312.801	1.624	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cccc(Cl)c2)nc1	124303895	XZYODVPKIIICDS-UHFFFAOYSA-N	320.736	1.825	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccnc2C(F)(F)F)[nH]n1	188416393	UKFKWCICJUKRLA-UHFFFAOYSA-N	313.239	1.207	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NNc2ncc(F)cn2)n1	123097508	QAMRNQCMTJUIPA-UHFFFAOYSA-N	308.342	1.258	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccc(Cl)cc1C(F)(F)F	184469914	DQOAKVHKJAJJQM-UHFFFAOYSA-N	323.702	1.681	50	20	DDGD	
Cc1ccc(C(=O)NNc2cccc(S(C)(=O)=O)c2)n1C	181129283	UFLBJRWHUCRLIW-UHFFFAOYSA-N	307.375	1.494	50	20	DDGD	
CCN1CCCC[C@@H]1CNC(=O)NNc1cccc(OC)n1	181267600	IKAWGWALZDFFIU-GFCCVEGCSA-N	307.398	1.591	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)cc(=O)[nH]1	181159942	SFGXLXMIDCSKGA-UHFFFAOYSA-N	317.320	1.080	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NNc1nccc(OC)n1	184766733	KMUKAOCBLGDTLC-VXGBXAGGSA-N	308.382	1.914	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1ccc(C#N)cc1)[C@H]1CCCO1	123972831	MLLGZJNIXRJWCV-ZIAGYGMSSA-N	316.361	1.460	50	20	DDGD	
CCCNC(=O)COC(=O)/C(C#N)=C\c1ccc(OC)cc1	215660454	VZBGHRDXDCPWAY-LCYFTJDESA-N	302.330	1.672	50	20	DDGD	
C=CCCC(=O)NNC(=O)[C@@H](C)Oc1ccc(OCC)cc1	72080275	AONLUEZQHCFISO-GFCCVEGCSA-N	306.362	1.966	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)CNc2ccccc2)cn1	180324903	VBGYJKYOAJFSSJ-UHFFFAOYSA-N	301.350	1.166	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccccc1N(C)C	132551107	OPRWYHDCYSQVQQ-UHFFFAOYSA-N	302.338	1.700	50	20	DDGD	
CC[C@H](CCO)CNC(=O)c1c(C)nn(CCCl)c1C	130453585	CDAABUJAJQVQOS-GFCCVEGCSA-N	301.818	1.877	50	20	DDGD	
CCSc1cc(C(=O)NNC(=O)c2ccncc2)ccn1	194360419	NPMVCGNEPVLLRK-UHFFFAOYSA-N	302.359	1.663	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)NC[C@@H]2CCOC2)c1	47068137	KVMVPUWVZSEGAT-ZDUSSCGKSA-N	321.377	1.049	50	20	DDGD	
COc1nccnc1NNC(=O)Cn1nc(C)c(Cl)c1C	132180195	CXKVNAHGXWHKRN-UHFFFAOYSA-N	310.745	1.095	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)oc1C	133760656	HHADGXMAEXAYEK-VXGBXAGGSA-N	323.393	1.157	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)NCC1CCC1	47053530	ITCPVENWLSDLCD-UHFFFAOYSA-N	321.377	1.595	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)CS(=O)(=O)C1CCCC1	195208981	WTRZFBOUOWFUQZ-UHFFFAOYSA-N	316.423	1.072	50	20	DDGD	
CCNC(=O)NNC(=O)CCCOc1ccc(OCC)cc1	139272339	HGLNJFQEZHWAFW-UHFFFAOYSA-N	309.366	1.595	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Cc1cnn(-c2ccccc2)c1	80088390	NDDMFUJOOGHQKJ-UHFFFAOYSA-N	300.362	1.608	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)[C@@H](O)c1ccccc1	81338805	WZOPWEDUNPRENQ-KRWDZBQOSA-N	312.369	1.890	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1cc(Cl)c(F)c(Cl)c1	192421438	QMJBFWOGRYAOLJ-UHFFFAOYSA-N	323.155	1.847	50	20	DDGD	
CC(C)N1C(=O)C(=NNC(=O)c2cccnc2)c2ccccc21	254510003	SICPSFJIMLANQV-UHFFFAOYSA-N	308.341	1.971	50	20	DDGD	
COC(=O)NCCCC(=O)NNC(=O)C(C)(C)c1ccccc1	264619410	IYIUENBYPKVJTD-UHFFFAOYSA-N	321.377	1.248	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc(N2CCCC2)nc1	263842243	BDBCYIRLMDLHCD-UHFFFAOYSA-N	313.361	1.095	50	20	DDGD	
CC(C)c1[nH]nc(C(=O)NNC(=O)CC2CCCC2)c1[N+](=O)[O-]	269543967	VZVFCRSAVLFPQH-UHFFFAOYSA-N	323.353	1.783	50	20	DDGD	
CCSCC[C@@H](C)NC(=O)NNC(=O)c1ccccc1O	266736038	NEPMUSJWPGLNEX-SNVBAGLBSA-N	311.407	1.868	50	20	DDGD	
COc1cccc(O[C@H](C)CNC(=O)NNC(=O)CC(C)C)c1	266537606	JVKCYEHJJDOZTE-GFCCVEGCSA-N	323.393	1.839	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)C[C@H]2CSCCS2)cc1	269734038	HARKNJMTTQMYLU-LBPRGKRZSA-N	321.427	1.558	50	20	DDGD	
COc1cccc2c1OC[C@H](NC(=O)NNc1ncccn1)C2	359938139	SPIOVBNPKFQBMK-LLVKDONJSA-N	315.333	1.115	50	20	DDGD	
COc1ccnc(NNC(=O)c2cccnc2OCC(C)C)n1	264219522	VXHGWEPCZAETEN-UHFFFAOYSA-N	317.349	1.672	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@@H](NC(=O)NNC(=O)c2ccccc2)C1(C)C	271886485	WELBONDIEIWKOM-RAIGVLPGSA-N	305.378	1.690	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	274494946	KTSYDSAMBYSYCQ-RKDXNWHRSA-N	315.295	1.900	50	20	DDGD	
O=C(NN=c1nc(-c2ccncc2)[nH]o1)c1cc(C2CC2)no1	368514089	KPNLOCYAHHWRIP-UHFFFAOYSA-N	312.289	1.176	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cc([C@@H]2CCCO2)nn1C	279023638	PPNUIUBQHDQWFO-KOLCDFICSA-N	309.370	1.470	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NC(C)C)nnn1CC1CCCC1	279014461	OUVONCPIZMQTNN-UHFFFAOYSA-N	308.386	1.129	50	20	DDGD	
Cc1cccc(F)c1NC(=O)C(=O)NNC(=O)OC(C)(C)C	274139242	AWUSOTOUXWSDFE-UHFFFAOYSA-N	311.313	1.629	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(C)c1ccc(N2CCOCC2)nc1	273379338	HWISENCTWFGJKP-OUKQBFOZSA-N	316.361	1.325	50	20	DDGD	
CC(C)[C@@H]1C[C@H](CC(=O)NNc2nccn(C)c2=O)CCO1	272820824	FFBIJDIHKQVKDX-NEPJUHHUSA-N	308.382	1.065	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccccc1O[C@H](C)C#N	276102023	YEOLGYGOJUEIKU-SNVBAGLBSA-N	305.338	1.675	50	20	DDGD	
O=C(NNc1cccnn1)C(=O)Nc1cccc2c1CCCC2	276338161	YICRFWSHXGKUJF-UHFFFAOYSA-N	311.345	1.437	50	20	DDGD	
C[C@H]1Oc2ccc(NC(=O)NNC(=O)C3CCC3)cc2NC1=O	272836307	NSAPYSLQSQGJEZ-MRVPVSSYSA-N	318.333	1.359	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2CCCc3nn(C)cc32)n1	375619973	HNWREBIYZVIWQD-JTQLQIEISA-N	316.365	1.090	50	20	DDGD	
Cc1cccnc1NNC(=O)NCC(=O)N(C)C1CCCCC1	276609941	FDQVUEKFBCBSII-UHFFFAOYSA-N	319.409	1.807	50	20	DDGD	
CNC(=O)N1CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CC1	273279335	VYIUSMYRUYBIJP-RAXLEYEMSA-N	316.336	1.216	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCS1)[C@H]1COc2ccccc2O1	272797387	BRLSIZLHYTXPEQ-CHWSQXEVSA-N	322.386	1.260	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H]2CCCS2)nc1C	272229981	VLMGEFYUDYQWSV-JTQLQIEISA-N	310.379	1.300	50	20	DDGD	
CSSCCNC(=O)Cc1c(C)nc2ccnn2c1O	284276326	YLLZRAYLDCXRHN-UHFFFAOYSA-N	312.420	1.413	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)N[C@@H](C1CC1)C(F)(F)F	288947820	WVKJICHGARVTSO-VIFPVBQESA-N	314.271	1.696	50	20	DDGD	
CC(C)[C@@H](O)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	285498233	JBZQGNDYORTPHT-SNVBAGLBSA-N	310.741	1.850	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C2(S(C)(=O)=O)CCC2)c1	281059597	CGCQNDQRPIVGCL-UHFFFAOYSA-N	316.354	1.245	50	20	DDGD	
CCC[C@@H]1C[C@H]1NC(=O)NNC(=O)COc1ccccc1OC	281244707	WRJIEZZBGGOIHR-VXGBXAGGSA-N	321.377	1.593	50	20	DDGD	
CC[C@H](C)[C@H](C)NC(=O)NNC(=O)COc1ccc(OC)cc1	299150162	FRINUHSCCKLURE-RYUDHWBXSA-N	323.393	1.839	50	20	DDGD	
C#CCN1CCC(C(=O)NNC(=O)c2c[nH]c3ccccc23)CC1	299166553	UYLFGWYPIXWGRP-UHFFFAOYSA-N	324.384	1.274	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2ccc3[nH]ccc3c2)O1	292956138	OQLKOSLLLHBPFW-ZANVPECISA-N	302.334	1.888	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)NCCCOc2ccccc2)O1	297888410	RNBJSZPRPQHPTH-JSGCOSHPSA-N	321.377	1.353	50	20	DDGD	
O=C(CSCC1CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1	291622152	RVMKUMVYGUPJGG-UHFFFAOYSA-N	309.347	1.499	50	20	DDGD	
Cn1nnc2c1C[C@H](C(=O)NNc1ccc3ccccc3n1)CC2	290544756	VXTJSYNSLQOMPY-GFCCVEGCSA-N	322.372	1.612	50	20	DDGD	
O=C(NC[C@@H]1CCCO1)NNC(=O)Nc1cccc(Cl)c1	297380094	MWGRJMKXNFAFKH-NSHDSACASA-N	312.757	1.855	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)c1cccc(N(C)C)c1)C1CC1	296905372	NINDTJWEROJHLD-AWEZNQCLSA-N	320.393	1.122	50	20	DDGD	
Cc1nc2ccc(NC(=O)NNC(=O)[C@H]3CCCCO3)cc2o1	296413030	RNJPQSOPYGIZJB-GFCCVEGCSA-N	318.333	1.858	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2cn(C)nc2C2CC2)O1	297377220	KQADHXNPTRVGDM-KWQFWETISA-N	307.354	1.018	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C1CCC1)[C@@H]1OCCc2sccc21	292132018	LRJJSKQYKRVUOJ-ZANVPECISA-N	323.418	1.881	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNc1ccccc1S(C)(=O)=O	800516089	CCGIJVIGICBDTG-CWSCBRNRSA-N	312.391	1.347	50	20	DDGD	
CCOC(=O)CC(C)(C)CC(=O)NNC(=O)c1ccccc1	806304220	XTTDUGBOHJQCAX-UHFFFAOYSA-N	306.362	1.817	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCc1cn2ccccc2n1	298730357	MCSYAFKHCAEBLE-UHFFFAOYSA-N	303.366	1.253	50	20	DDGD	
Cc1nc2c(C(=O)NNC(=O)[C@@H]3CC[C@H](C)O3)cccc2[nH]1	293980494	STCDRICMQCPLBA-UFBFGSQYSA-N	302.334	1.200	50	20	DDGD	
Cc1cccc2c1OC[C@@H](NC(=O)NNC(=O)CC(C)C)C2	291019495	FFEBAXMCDXPNJC-ZDUSSCGKSA-N	305.378	1.675	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H]1CSC[C@@H]1C	805097732	VYGJBZTUVWDRTC-ONGXEEELSA-N	309.391	1.391	50	20	DDGD	
N#C[C@]1(C(=O)NNC(=O)Cc2ccccc2F)CC12CCCC2	294560519	JIINPXZZNSITSK-KRWDZBQOSA-N	315.348	1.990	50	20	DDGD	
COC(=O)CSCCC(=O)NN(C)C(=O)OC(C)(C)C	297810039	WSJUDXPSIJXXJZ-UHFFFAOYSA-N	306.384	1.181	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCC1OCCCO1	807924115	NKZSZDMEJXQQPF-UHFFFAOYSA-N	301.774	1.232	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CC(C)C)n(-c2ccccn2)n1	299246986	AGSSPBVGFVOJHL-UHFFFAOYSA-N	316.365	1.775	50	20	DDGD	
CN(CCNC(=O)NNc1ncncc1F)Cc1ccccc1	292944623	IZGPPPGSVPLKMY-UHFFFAOYSA-N	318.356	1.374	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@H]2NCC[C@H]2C1	293272909	GPDCLOGMQYKHLX-QWHCGFSZSA-N	310.829	1.563	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)N[C@@H]2CC2(C)C)cc1	299066859	MMQSVQHXPHJSKJ-GFCCVEGCSA-N	307.350	1.203	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCCO2)c1ccc(N)nc1	814789103	XSPPILDZYQSPJC-UHFFFAOYSA-N	312.329	1.589	50	20	DDGD	
O=C1CC(C(=O)NNC(=O)NCC2CC2)(c2ccccc2)C1	813424936	ZBKSBSRXEYVAFA-UHFFFAOYSA-N	301.346	1.028	50	20	DDGD	
CCCCN1CCCC[C@@H]1CNC(=O)NNc1ncncc1F	814297410	GQLPDVUAEDDXEQ-GFCCVEGCSA-N	324.404	1.896	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNc2ncncc2F)cc1C	814632818	BJGIKOOZLHSXFN-UHFFFAOYSA-N	319.296	1.859	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)CC1CC1)N1C[C@@H](C)O[C@H](C)C1	819136117	MTRFURCWARGIDM-JMSVASOKSA-N	311.426	1.068	50	20	DDGD	
Cc1cccc([C@@H](CC(=O)NNC(=O)CC2CC2)NC(N)=O)c1	819125920	FZKFHPWKXSLWCF-CYBMUJFWSA-N	318.377	1.042	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)[C@@H]2CCCSC2)c1	810915844	USSHKYSHFVHZDU-SNVBAGLBSA-N	314.432	1.676	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)c2cc(F)c[nH]2)nc2ccccc21	814726501	CJUXKVALZAYQIR-UHFFFAOYSA-N	315.308	1.044	50	20	DDGD	
O=C(COc1ccccc1F)NN=C1CCC(C(=O)O)CC1	814722523	DCTBVIVWNKGLNE-UHFFFAOYSA-N	308.309	1.952	50	20	DDGD	
Cn1cc(-c2nc(C(=O)NNc3ncncc3F)cs2)cn1	817068027	UWFGMUCRDFPCFB-UHFFFAOYSA-N	319.325	1.230	50	20	DDGD	
Cn1cnc(C(=O)NNC(=S)Nc2cccc(Cl)c2)n1	810541928	FQMWLPCGCAOXMK-UHFFFAOYSA-N	310.770	1.100	50	20	DDGD	
CCn1nncc1C(=O)NNC(=O)Cc1cccc2ccccc12	814851209	NDJUJWNHZRDBOO-UHFFFAOYSA-N	323.356	1.455	50	20	DDGD	
CC(Cc1ccc(F)cc1)=NNC(=O)[C@@H]1CCS(=O)(=O)C1	814782030	JILVNNIEPXFKMN-GFCCVEGCSA-N	312.366	1.295	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1cccc(CO)c1	813459911	YIMOCIUYGOOUQF-UHFFFAOYSA-N	314.341	1.157	50	20	DDGD	
COc1cc(Cl)cc(C(=O)NNc2nccc(OC)n2)c1	814295932	LDHODCXFJWNHJG-UHFFFAOYSA-N	308.725	1.904	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@@](C)(O)C2CCC2)cc1	813367541	DGTZEUICYLQHDC-INIZCTEOSA-N	322.430	1.786	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)c2cccc(C#N)c2)c1C1CC1	728826629	RVUHKHJGNKVQNC-UHFFFAOYSA-N	309.329	1.244	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC[C@H](c2ccc(CC)cc2)C1	814640837	ULSWATXPKPMPLT-CJNGLKHVSA-N	317.433	1.984	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCCc1ccccc1F	826677384	MLVVKGVLMNNVAB-WCQYABFASA-N	323.368	1.514	50	20	DDGD	
Cc1nsc(C)c1C(=O)NNC(=O)CCc1ccccc1O	825756324	PFEBIBSKNGCICO-UHFFFAOYSA-N	319.386	1.859	50	20	DDGD	
O=C(O)Cc1cccc(NC(=O)NNc2ccc(Cl)nn2)c1	821538014	LYZKRRYYXIHQRM-UHFFFAOYSA-N	321.724	1.906	50	20	DDGD	
COc1ccc(NNC(=O)c2nn(C)c3c2CCCC3)nc1	829672817	JHXANPKMKLMSKN-UHFFFAOYSA-N	301.350	1.459	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NC[C@H]1CCCCN1C1CC1	497148130	PVWUQZDXFVWWAK-GFCCVEGCSA-N	312.414	1.742	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](c2ccccc2)N(C)C)nc(N)n1	828367394	NKLVGGJWXIBUMZ-CYBMUJFWSA-N	300.366	1.113	50	20	DDGD	
CCN(CCO)NC(=O)c1cncc(-c2ccc(OC)cc2)c1	823865556	UAUVPUPACWCUKD-UHFFFAOYSA-N	315.373	1.716	50	20	DDGD	
CNS(=O)(=O)c1ccc(C)c(NC(=O)NN(C)C2CC2)c1	824179373	XRHCREDEPLBGNC-UHFFFAOYSA-N	312.395	1.034	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(N)c(OC(F)(F)F)c1	823950101	CJMMNHODOOARIU-UHFFFAOYSA-N	320.271	1.521	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)C	726971244	DWOFRJLVTMIYPP-UHFFFAOYSA-N	322.365	1.334	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@]2(C)CCNC2=O)cc1C	823067503	LMJABKSBLFDOPO-INIZCTEOSA-N	319.361	1.141	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@]1(c2ccccc2)CC1(C)C	823815328	FOTXBHVAKOIHPH-KRWDZBQOSA-N	319.405	1.721	50	20	DDGD	
CC(C)[C@@H](NCc1ccc(B(O)O)cc1F)c1ccccc1	585015272	VNJOUQXKLQTWFA-QGZVFWFLSA-N	301.170	1.992	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)NOCC2CCC2)c1	824021851	DXMJLGWLOPSEAN-UHFFFAOYSA-N	321.377	1.744	50	20	DDGD	
COC(=O)[C@@H](CO)NC(=O)CCCC[C@H]1CCSS1	725906635	WTMHKSFJFONKNW-VHSXEESVSA-N	307.437	1.351	50	20	DDGD	
C[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2cccc(B(O)O)c2)C1	584996998	SRSUHBIDEUYTSB-YOEHRIQHSA-N	323.201	1.632	50	20	DDGD	
CC(C)C[C@@H]1C[C@H]1C(=O)NNC(=O)COc1ccccc1O	823180056	FWHNKQZZDWSOKW-VXGBXAGGSA-N	306.362	1.601	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cnn(C2CCC2)c1)C1CC1	824446394	KCFCAYXUCKBZIV-SECBINFHSA-N	307.423	1.516	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cc(Cl)ccc1OC	495406807	FVENYRMXNGNUIE-UHFFFAOYSA-N	315.713	1.064	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(C)c1	825696826	CYKLAZCWVOEHNH-JSGCOSHPSA-N	305.378	1.559	50	20	DDGD	
N#C/C(=C/c1ccc(OCC(=O)O)cc1)C(=O)N=c1cc[nH]cc1	490814124	UBCSTTLHWAPKBX-LCYFTJDESA-N	323.308	1.513	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)NNc1cnnc2ccccc12	733811204	HJVNRDRLMDQNGF-UHFFFAOYSA-N	322.390	1.144	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)NCc2ccco2)cc1	736548893	FBRRIWNUIUQDRM-UHFFFAOYSA-N	301.302	1.626	50	20	DDGD	
CCCN(C(=O)c1cc(B(O)O)ccc1F)C1CCCCC1	584940618	XOBYUCGZZKUGMP-UHFFFAOYSA-N	307.174	1.690	50	20	DDGD	
COc1ccnc(NNC(=O)NCC2Cc3ccccc3C2)n1	735387135	RHPCXWTVMXJETO-UHFFFAOYSA-N	313.361	1.526	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H](CC)NC(=O)OC(C)(C)C	491077543	WOKXVVOUYJNOJO-VIFPVBQESA-N	302.375	1.030	50	20	DDGD	
CCOc1ccc(CNCc2cccc(B(O)O)c2)cc1OC	585017027	IPPDXOXBOSEBMM-UHFFFAOYSA-N	315.178	1.064	50	20	DDGD	
Cc1nnc(NNC(=O)c2cnc(-c3ccccc3)[nH]2)nc1O	736666314	DOHKRNKKIMKFDG-UHFFFAOYSA-N	311.305	1.033	50	20	DDGD	
CCc1cccc(CC)c1S(=O)(=O)NNC(=O)NC(C)C	736062751	IHVFMFQCMXCQNK-UHFFFAOYSA-N	313.423	1.712	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)CCNC(=O)O)c(C)c1	738628373	QCNUWYSAHHSAKQ-UHFFFAOYSA-N	310.379	1.279	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1cccc(C(=O)O)c1)N1CCCC1=O	833464726	CGPXFPHJQFUTDO-CQSZACIVSA-N	319.361	1.475	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCCO1)[C@@H](C)NC(=O)OC(C)(C)C	496291031	FKQJHXVQWGWQRN-ZYHUDNBSSA-N	313.398	1.961	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1ccc(C#N)cc1)N1CCCCC1	906461347	YPHHSWIIZVVGGS-UHFFFAOYSA-N	314.389	1.584	50	20	DDGD	
CC(C)(C)[C@@H](CC(F)(F)F)NCc1cccc(B(O)O)c1	585035851	ZWTSCBUVZYFIEH-GFCCVEGCSA-N	303.133	1.823	50	20	DDGD	
O=C(NN[C@@H](C(=O)O)c1cccnc1)c1ccc([N+](=O)[O-])cc1	833149266	KZIUZQWKCPMVFI-GFCCVEGCSA-N	316.273	1.050	50	20	DDGD	
CC(C)(C)C#CC(=O)NNC(=O)c1cc(Br)c[nH]1	837317783	UOJKTMUVYFAUOI-UHFFFAOYSA-N	312.167	1.588	50	20	DDGD	
CC/C(C)=C\C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1	838044028	ZNTAYQQNMLQIPX-XFFZJAGNSA-N	315.329	1.219	50	20	DDGD	
CC(F)(F)CNC(=O)NNC(=O)Nc1cc(F)cc(F)c1	836479191	HSCDTGLRUIIQNZ-UHFFFAOYSA-N	308.235	1.956	50	20	DDGD	
CC(=O)c1cc(C(=O)N2CC[C@@H](B(O)O)C2)ccc1OC(C)C	585065138	VCKZIKSCSZKQFW-CYBMUJFWSA-N	319.166	1.365	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)c1cc(C2CCCC2)no1	584910951	FLNCTVUFSUXBFZ-UHFFFAOYSA-N	300.123	1.264	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cn(C)nc1C1CCCCC1	836709652	BCHRZSNCFNYXCV-UHFFFAOYSA-N	323.397	1.657	50	20	DDGD	
CCS(=O)(=O)CC(C)=NNC(=O)Cc1ccccc1OC	733747862	ZXNZXYFFZSICID-UHFFFAOYSA-N	312.391	1.165	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@H]1C[C@@H]1C(=O)O	739215849	HKIHHPIIDSTJAJ-RCTZJCAISA-N	320.389	1.461	50	20	DDGD	
Cc1cc(C(F)(F)F)ccc1CNCc1ccc(B(O)O)o1	585036302	DLNCDHBFJSSFPO-UHFFFAOYSA-N	313.084	1.576	50	20	DDGD	
C[C@H](CC(C)(C)C)NC(=O)NNC(=O)CNC(=O)c1ccco1	836269115	REQLMLGZMFUQPB-SNVBAGLBSA-N	324.381	1.165	50	20	DDGD	
COC[C@H](C)CNC(=O)NNc1cccc(Br)n1	838480984	GJRSNIFSLZHGIO-MRVPVSSYSA-N	317.187	1.753	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc(C#N)c(F)c1	831818109	OMHQUVQPHXWBMK-KWQFWETISA-N	306.297	1.275	50	20	DDGD	
C[C@H](Cc1ccc(N(C)C)cc1)NCc1ccc(B(O)O)cc1	585030102	WLACHPBDIYUPER-CQSZACIVSA-N	312.222	1.153	50	20	DDGD	
COc1cc(C(N)=O)ccc1NC(=O)NCCSSC	836772630	IFDIDRZPWLOROR-UHFFFAOYSA-N	315.420	1.927	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@@H]1C[C@H](OC(C)(C)C)C1(C)C	839672084	DOASYKFSSXIOFB-TUAOUCFPSA-N	313.442	1.504	50	20	DDGD	
CCC[C@H](C=NNC(=O)c1cccc(S(C)(=O)=O)c1)OC	834941993	VCXJXKIGHIXOEK-GFCCVEGCSA-N	312.391	1.621	50	20	DDGD	
O=C(CSC[C@H]1CCCCO1)NNC(=O)[C@H]1CCCCO1	833250055	BIXMLECEHJZASD-VXGBXAGGSA-N	316.423	1.005	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2CCNC2=O)cc1C(F)(F)F	830806807	WGWSYYHLLQFEQY-SECBINFHSA-N	312.251	1.156	50	20	DDGD	
Cc1c(C=NNC(=O)C(C)C)c(=O)n(-c2ccccc2)n1C	912796507	VGKHEIDRYMJQAZ-UHFFFAOYSA-N	300.362	1.591	50	20	DDGD	
CSc1cc(C(=O)NNC(=O)c2ccccc2O)ccn1	919743686	RIAHAVCJHLAHIW-UHFFFAOYSA-N	303.343	1.584	50	20	DDGD	
COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NS(=O)(=O)CCl	831425692	LJEHHHFLOQACNG-PWSUYJOCSA-N	319.810	1.523	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)[C@@H]1CCC[C@H](C(=O)O)C1	833010843	XKTURWDUKNVBNS-BDAKNGLRSA-N	311.363	1.104	50	20	DDGD	
O=C(NCCN1CCOCC1)NNc1ccc(Cl)c(F)c1	746742034	JHUBWABHDAELCI-UHFFFAOYSA-N	316.764	1.437	50	20	DDGD	
CCCCN1CCC(NC(=O)NNC(=O)C2CCCC2)CC1	749212159	JTIOAAJAJACYPQ-UHFFFAOYSA-N	310.442	1.772	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C1CCCC1	749332189	SNHGSJUITGUXKF-ABAIWWIYSA-N	318.373	1.800	50	20	DDGD	
O=C(NNC(=O)[C@@H]1SCCc2sccc21)c1ccccn1	742463283	PVIJWZRSSHEBAF-GFCCVEGCSA-N	319.411	1.935	50	20	DDGD	
CCCc1c(C(=O)NN(C)C[C@H](C)O)cnn1-c1ccccc1	910151450	DPDUUPHRHRJCIF-ZDUSSCGKSA-N	316.405	1.782	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2ccc(OC(F)F)cc2)c[nH]1	748649294	SDTQZOJAGSIAJX-UHFFFAOYSA-N	310.260	1.472	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1F	843644630	PIOZDRQQYMUGBM-CMPLNLGQSA-N	324.352	1.339	50	20	DDGD	
O=C(NNC1=N[C@H]2C=C[C@H]1C2)c1cc(Br)ccc1O	741768776	OERCXEILOKWTCA-CBAPKCEASA-N	322.162	1.746	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)N[C@H]1CCN(CC(F)F)C1	841594832	NKFQUQHQHYSXBJ-VIFPVBQESA-N	306.357	1.092	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNc2ccc(F)cc2F)n1	748271967	YKTYOJFKLJAJEK-UHFFFAOYSA-N	307.256	1.903	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)c1ccccc1O)c1ccco1	746771960	VVMHIJPCIPHLHU-NSHDSACASA-N	319.317	1.317	50	20	DDGD	
COc1ccc2c(c1)CN(C(=O)NNC(=O)C1CCCC1)C2	848659669	PBMLQCPJVVIKRU-UHFFFAOYSA-N	303.362	1.942	50	20	DDGD	
Cc1nc(O)c2c(n1)CN(C(=O)[C@@]1(C)C[C@@H]1Br)C2	913296266	YBHLDJNLKWOTKJ-CABZTGNLSA-N	312.167	1.506	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)C1(S(N)(=O)=O)CC1	846198941	SVXYLWHBSIQNCI-UHFFFAOYSA-N	311.407	1.383	50	20	DDGD	
CSc1ccc(C(C)=NNC(=O)C(=O)NC2CC2)cc1F	741760109	SCHWRGILOCQLMQ-UHFFFAOYSA-N	309.366	1.666	50	20	DDGD	
CN(C)c1ccc(Cl)cc1NC(=O)NNC(=O)CCCN	841122462	YLOKHNFYXJWCPH-UHFFFAOYSA-N	313.789	1.298	50	20	DDGD	
C[C@H](OCCc1ccccc1)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843662296	SHCSFIATOSPRMN-KCQAQPDRSA-N	320.389	1.207	50	20	DDGD	
C#CCCCNC(=O)NNC(=O)COc1ccccc1OCC	745900039	SCWJNJXLTUKNEN-UHFFFAOYSA-N	319.361	1.208	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H]2CCCCO2)cc1	840775488	PWQBWZMJAGAODJ-LBPRGKRZSA-N	309.391	1.582	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccc(O)cc2)cc(O)c1O	916265488	NZMSIFWLLDKZKH-UHFFFAOYSA-N	302.286	1.576	50	20	DDGD	
C[C@]1(C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)C[C@H]1Br	912459895	XYBJWAJCFVYQRS-XHSYRHOGSA-N	315.211	1.287	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2ccc(C(N)=O)cc2)cc1	915948481	MZVVRBGMGPWRBF-UHFFFAOYSA-N	311.341	1.623	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1(c2ccc(F)cc2)CCC1	843647803	ZVIASZQJDLWSBM-BXUZGUMPSA-N	320.364	1.820	50	20	DDGD	
Cc1nn(C(C)C)cc1C(=O)NNC(=O)CNc1ccccc1	848367321	HIGGWFPWDQUAAZ-UHFFFAOYSA-N	315.377	1.646	50	20	DDGD	
CC(C)(CCNC(=O)NNc1ccc(F)cn1)S(C)(=O)=O	841591364	WDXULIXESILWBB-UHFFFAOYSA-N	318.374	1.060	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=C2CCC[C@@H]3C[C@H]23)c1	841618491	VETQOILZHQMERB-MFKMUULPSA-N	306.387	1.996	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=C1CCC(F)(F)CC1	842524527	DCIYIYGQSDKKEQ-UHFFFAOYSA-N	316.333	1.695	50	20	DDGD	
CC(C)(C)CCNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	745609096	MSTNUVPAUNWRBK-UHFFFAOYSA-N	324.337	1.681	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)CC2(COC)CC2)nc1C	843848415	GZWOTPUQQFTBBX-UHFFFAOYSA-N	322.365	1.222	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1nc(C(F)(F)F)cs1	841021202	AEPQVWDCCRXZJJ-UHFFFAOYSA-N	311.289	1.054	50	20	DDGD	
C=CCCCNC(=O)NNc1ncc(Br)cn1	847362952	QYABMRDRMKUCKY-UHFFFAOYSA-N	300.160	1.831	50	20	DDGD	
COCCC(Cc1cccc(F)c1)=NNC(=O)c1ncccn1	841663669	XXTAARWEANVEJE-UHFFFAOYSA-N	316.336	1.981	50	20	DDGD	
O=C(NNC(=O)[C@@H](C[C@H]1CCCO1)C(F)(F)F)c1ccc[nH]1	845106727	KJAWQJPJZMJELZ-RKDXNWHRSA-N	319.283	1.523	50	20	DDGD	
CSc1ccc(C)c(C(=O)NNc2nccn(C)c2=O)c1	747937152	DLJSCZUFSRUUBH-UHFFFAOYSA-N	304.375	1.568	50	20	DDGD	
O=C(NCCC[C@@H]1CCCN1)NNC(=O)c1cccc(Cl)c1	842003758	KENDDRLABALCOS-ZDUSSCGKSA-N	324.812	1.816	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c2n[nH]cc2c1	843974964	PUDOLDLMDDKJDU-MWLCHTKSSA-N	302.334	1.057	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=Cc1ccc(C(=O)O)[nH]1	749809188	BVDZRSGFQAMJLP-VIFPVBQESA-N	319.292	1.770	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)cc1	746887511	UBECVCPSLVNDIS-GFCCVEGCSA-N	305.378	1.643	50	20	DDGD	
O=C(CCc1cccnc1Cl)NNC(=O)NCC(F)(F)F	847115509	JEEJEVWUUMSWPO-UHFFFAOYSA-N	324.690	1.560	50	20	DDGD	
CCOCCOCCOC(=O)/C(C#N)=C/c1ccc(O)cc1	922513027	ZGPBRTRYVTZARL-SDNWHVSQSA-N	305.330	1.895	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCC[C@@]1(O)CCCOC1	846599003	YFXPOLJACSANHP-SHRNQRGKSA-N	316.357	1.347	50	20	DDGD	
CCn1c(O)nc2ccc(C(=O)NNC(=O)NC(C)C)cc21	847402052	XEJZYWKRTWUQCM-UHFFFAOYSA-N	305.338	1.114	50	20	DDGD	
Cc1nnsc1C(=O)NNC(=O)NCCc1cccs1	754647650	BUGAQJOASIWJLJ-UHFFFAOYSA-N	311.392	1.095	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2C[C@@H](C)Cc3c[nH]nc32)o1	857862061	XOCFNPICJIEHFK-KWQFWETISA-N	302.334	1.438	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(C)nc2c1cnn2C(C)C	921040967	SJLSBVYOXSWTAK-UHFFFAOYSA-N	318.381	1.675	50	20	DDGD	
CC(=O)NNC(=O)Cc1csc(NC(=O)c2ccoc2C)n1	920430464	ULYLJWLJDPOUPO-UHFFFAOYSA-N	322.346	1.007	50	20	DDGD	
COC(=O)[C@@H]1CN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)CCO1	750043615	KMXFGKAITHMLMF-GUVYXZIWSA-N	317.301	1.333	50	20	DDGD	
OC[C@H](NC[C@H](CBr)C1CC1)[C@@H]1CCCOC1	859328911	WEXBPIMPWOQPGE-AGIUHOORSA-N	306.244	1.785	50	20	DDGD	
CCC(COC)=NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C	853376982	ZXQSFDNRPMZZIX-TZMCWYRMSA-N	308.382	1.416	50	20	DDGD	
CO[C@@H]1CCCN(C(=O)NC[C@]2(C)C[C@H]2Br)C1	856904150	XXDAVBGFSYXOPE-FOGDFJRCSA-N	305.216	1.980	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H](C)Cc1ccc(F)cc1	921028246	VTIVLRZEBKHIBQ-NSHDSACASA-N	311.357	1.371	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2cnc3ncccn23)c(C)c1	755578644	GRDMZRXRNXXCAU-UHFFFAOYSA-N	322.372	1.908	50	20	DDGD	
C[C@@H](c1ccccc1)[C@H](O)CNS(=O)(=O)CBr	851858982	WGIXJGICRTVDLX-GXSJLCMTSA-N	322.224	1.423	50	20	DDGD	
CC(C)(C)N1C[C@H](C(=O)NN=c2cc[nH]cc2Cl)CC1=O	757421554	GCDOLOWGHJCOAP-SECBINFHSA-N	310.785	1.247	50	20	DDGD	
CCOc1cccc(/C=C/C(=O)NNC(=O)NCC2CC2)c1	858782134	PMOAODJPGAYHAJ-CMDGGOBGSA-N	303.362	1.839	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNc1nc(O)c2ccccc2n1	758299134	CMCJWKUPBFBCOO-LBPRGKRZSA-N	301.350	1.263	50	20	DDGD	
COC(=O)CCC(C)=NNC(=O)CNc1ccc(OC)cc1	756870138	GAXPARMMLULGQG-UHFFFAOYSA-N	307.350	1.552	50	20	DDGD	
Cc1csc(C=NNC(=O)c2cc([N+](=O)[O-])ccc2O)n1	755748834	CUDXEVHLABCWSW-UHFFFAOYSA-N	306.303	1.829	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)c1ccccc1C	923911547	NFXNIGOZJKLCPU-VXGBXAGGSA-N	306.362	1.588	50	20	DDGD	
C[C@]1(CNC(=O)COCc2cccnc2)C[C@@H]1Br	857388461	SOMCOURZMJBOMA-WCQYABFASA-N	313.195	1.888	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CCCc3c[nH]nc32)c1	858706530	VMTIYHQTSODEQW-SNVBAGLBSA-N	319.390	1.801	50	20	DDGD	
COC[C@@H](C)Oc1ccc(/C=C(/C#N)S(=O)(=O)N(C)C)cc1	853008518	SHGMIOAQKZUXBJ-CDCQXCROSA-N	324.402	1.856	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)NCC1(C)CC1	752001380	ZXWXXDGOIANFFF-UHFFFAOYSA-N	307.350	1.205	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)OCC(F)(F)F)c(O)c1	856025724	XMCRSLUQZPENGZ-UHFFFAOYSA-N	308.212	1.334	50	20	DDGD	
CCCOc1ccc(NC(=O)C(=O)NNC(=O)CC)cc1F	861802442	KQENPVUIROPZKA-UHFFFAOYSA-N	311.313	1.110	50	20	DDGD	
CC(C)(C)c1ccc(CC(=O)NNC(=O)c2cn[nH]c2)cc1	862472610	OCQMEQYXPKIGNW-UHFFFAOYSA-N	300.362	1.711	50	20	DDGD	
Cn1nc(C(=O)NNc2nc3ccccc3[nH]2)cc1OC(F)F	768716003	KNQOAOCVNCFOKZ-UHFFFAOYSA-N	322.275	1.655	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)Nc1ccc2occc2c1	861805573	FXNKSBHJYMCZPN-UHFFFAOYSA-N	301.302	1.319	50	20	DDGD	
COc1ccc2c(c1)C[C@H](C(=O)NN=c1cc[nH]c(C)c1)CO2	862510619	MTWVPUGAVSYXEA-ZDUSSCGKSA-N	313.357	1.515	50	20	DDGD	
N#C/C(=C\c1cn(C[C@H]2CCCO2)nn1)C(=O)NC1CCCC1	865216883	DXZUGVUUWCPTQO-INDWDQIESA-N	315.377	1.423	50	20	DDGD	
C[C@@H]1CCC[C@H](C=NNC(=O)Cc2cc(O)nc(S)n2)C1	768353881	BCULUPNMFSRJJM-ZJUUUORDSA-N	308.407	1.942	50	20	DDGD	
C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(C/C=C/C#N)C1=O	763304921	QTCKKDUDQPQPAX-BAABZTOOSA-N	300.274	1.442	50	20	DDGD	
O=C(NNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)NC1CC1	765675408	HYANINVPMUBHSH-UHFFFAOYSA-N	315.289	1.249	50	20	DDGD	
CSSCCNS(=O)(=O)c1c2c(nn1C)CCCC2	867243329	VOTBRGMQTMGRTH-UHFFFAOYSA-N	321.493	1.588	50	20	DDGD	
O=C(NCCc1cn2c(n1)SCC2)NNc1ccccn1	767945715	BNINTCOUSSQJLM-UHFFFAOYSA-N	304.379	1.253	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N(C)Cc1cccn1C	760718652	WQHOEXKEQOJGSV-UHFFFAOYSA-N	300.362	1.820	50	20	DDGD	
CC(C)C=NNC(=O)CCN1CCN(c2ccccc2)CC1	866684856	VJMMNBOXFHMWMM-UHFFFAOYSA-N	302.422	1.957	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H](C)c2ccc(Cl)cc2)n[nH]1	869018187	HGDSXESANZZYEG-SNVBAGLBSA-N	320.780	1.865	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2ccc(Br)cn2)n[nH]1	764796210	ATFNATCRIQACSC-UHFFFAOYSA-N	308.139	1.640	50	20	DDGD	
COC[C@H](C)Oc1ccc(C=NNC(=O)c2cn[nH]c2)cc1	863152277	NTMVWDICZPKHEA-NSHDSACASA-N	302.334	1.587	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc(C#N)c(C)c1	766453899	DTLBIWPZXSQIMD-UHFFFAOYSA-N	300.362	1.622	50	20	DDGD	
CSc1ccccc1CC(C)=NNC(=O)[C@H]1CCC(=O)N1	863152715	DQCNZGDILIOGJI-GFCCVEGCSA-N	305.403	1.722	50	20	DDGD	
Cc1cc(=NNC(=O)c2c(C)nsc2NC2CC2)cc[nH]1	862514023	OQKJVETVUAVPLB-UHFFFAOYSA-N	303.391	1.908	50	20	DDGD	
CC(=NN(C)C(N)=O)c1ccc(OCC(=O)N2CCCC2)cc1	767907597	JXQPTCGMDKOMFM-UHFFFAOYSA-N	318.377	1.422	50	20	DDGD	
CCn1c(O)nc2ccc(C(=O)NN[C@H](C)C(F)(F)F)cc21	862323247	SVTSAGZWXSFXGV-SSDOTTSWSA-N	316.283	1.947	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(/C=C(/C#N)C(=O)OCCOC)c1C	863176581	XATQZYRBKUQKFX-WQLSENKSSA-N	320.345	1.905	50	20	DDGD	
Cc1cccc(NNC(=O)Nc2ccn(CCN(C)C)n2)n1	860689719	RWLGULAZBFXJLG-UHFFFAOYSA-N	303.370	1.297	50	20	DDGD	
Cc1cccc(NNC(=O)CC2(N3CCOCC3)CCCC2)n1	862522700	DCJMQELNIYCALW-UHFFFAOYSA-N	318.421	1.868	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@]1(NC(=O)OC(C)(C)C)CC1(F)F	864491373	WZVUONWJNSYAGL-LBPRGKRZSA-N	321.324	1.092	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cccc(-n2cccn2)c1	760260997	ULIDRJGADQJFQI-ZDUSSCGKSA-N	316.361	1.374	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccnc(OC)c2)c1	1116516739	MMJQIENYYOIGHB-UHFFFAOYSA-N	301.302	1.634	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1c[nH]c2cc(C)ccc12	772041277	IDHLSFORMZPAMA-JTQLQIEISA-N	317.345	1.579	50	20	DDGD	
CS(=O)(=O)Nc1ccc(C(=O)NNc2ccccn2)cc1	777469412	NWTRXLMWQXTXML-UHFFFAOYSA-N	306.347	1.210	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CN[C@H](C)CC#N)cc1C	878817888	JUGBNPFHTAEPIK-SNVBAGLBSA-N	308.407	1.272	50	20	DDGD	
O=C(CCc1cccc2c1OCO2)NNC(=O)c1ccncc1	770202734	XTXHSSOLAMNLKG-UHFFFAOYSA-N	313.313	1.204	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(N2CCCCC2)nc1	878246836	SIOUXNWUCCEGRK-UHFFFAOYSA-N	307.398	1.687	50	20	DDGD	
CC[C@H]1CCCC[C@H]1CNC(=O)NNC(=O)C1CCNCC1	1118029476	YQCFZHKTBOXYRS-JSGCOSHPSA-N	310.442	1.533	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)C2CCOCC2)cc(OC)c1	877933388	ROSUJDSEWJXXDE-UHFFFAOYSA-N	323.349	1.283	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc3c(c2)COC3)n1	775698488	GZOKLYQMHQGUHQ-UHFFFAOYSA-N	301.306	1.664	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1ccnn1C	772996024	PTCOIDQBHCPVHQ-VIFPVBQESA-N	322.752	1.302	50	20	DDGD	
Cc1cc(C)c(NC(=O)C(=O)NNc2ncccn2)c(Cl)c1	773718861	HLVFBQCUWASHKH-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2cc(C(F)(F)F)ccc2F)C1=O	773480955	GCYZRFJIAUKFKL-MRVPVSSYSA-N	319.258	1.766	50	20	DDGD	
Cc1c[nH]cc(C(=O)NNC(=O)c2ccc3ccccc3n2)c1=O	777795912	MSBPNXJVVUFAMB-UHFFFAOYSA-N	322.324	1.306	50	20	DDGD	
O=C1CCCC[C@H]1[C@H]1COCCN1S(=O)(=O)CCCCl	882065657	LFLKIBAXPWUXPQ-NWDGAFQWSA-N	323.842	1.405	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)[C@@H]1C[C@@H]1c1cccc(F)c1	882665161	UYVKFKRARUIWBP-VXGBXAGGSA-N	300.355	1.288	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C=C(C1CC1)C1CC1	772033579	ADUCRZUZAXFVQO-LLVKDONJSA-N	322.405	1.858	50	20	DDGD	
C[C@](O)(CCNS(=O)(=O)CCCCl)c1ccccc1	882089915	VCJLFPGIDSKGMW-ZDUSSCGKSA-N	305.827	1.833	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)CN3C2)n1	1123685271	UGTBZXNDAQNXNU-JHJVBQTASA-N	304.394	1.654	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@@H]2CCC(=O)[C@H]2C)cc1O	882049513	BAYYASFRXUHIAI-QWRGUYRKSA-N	304.346	1.467	50	20	DDGD	
NC(=O)N[C@H](CC(=O)NNc1ccnc(F)c1)c1ccccc1	781363353	OEBOPKYRJNMUCQ-GFCCVEGCSA-N	317.324	1.464	50	20	DDGD	
CCc1cccc(NC(=S)NNC(=O)Nc2noc(C)n2)c1	781112674	UKOLNEAQUZYHCL-UHFFFAOYSA-N	320.378	1.964	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1F)C(=O)Nc1cccnc1	784812096	YZNYPKVIPZSFER-UHFFFAOYSA-N	310.235	1.581	50	20	DDGD	
COC(=O)[C@H](Cc1ccc(F)cc1)NNC(=O)c1ccccc1	783571918	KXPJKJGGTGGDAG-HNNXBMFYSA-N	316.332	1.844	50	20	DDGD	
O=C(NNc1cc(Br)ccc1F)[C@@H]1COCCO1	885145836	HCQKOTKLPRSICB-JTQLQIEISA-N	319.130	1.447	50	20	DDGD	
CCOC(=O)c1cnc(C)c(C(=O)NNc2ccnc(F)c2)c1	781361122	QQDLXMJWJYGLQZ-UHFFFAOYSA-N	318.308	1.858	50	20	DDGD	
COc1cccc(NNC(=O)c2cnn(-c3cccnc3)c2)n1	780770086	CIDIEPNMAAPNIW-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
CCNC(=O)NNC(=O)c1nn(-c2c(F)cccc2F)cc1C	786828400	XJBONGGYPILBAK-UHFFFAOYSA-N	323.303	1.423	50	20	DDGD	
C[C@H]1C(=O)CC[C@H](C(=O)NNC(=O)CC(F)(F)F)C1(C)C	781911498	YONDENQVUMCFNM-JGVFFNPUSA-N	308.300	1.728	50	20	DDGD	
C[C@@H]1CCCN1CCNC(=O)NC[C@@]1(C)C[C@@H]1Br	895921120	BBEZSXCEAAAFOA-NTZNESFSSA-N	318.259	1.943	50	20	DDGD	
CCC[C@@H]1C[C@H](C(=O)NNc2ccnc(N(C)C)n2)CCO1	780539831	PQNNDXXCTMKWLS-VXGBXAGGSA-N	307.398	1.581	50	20	DDGD	
Cn1cc(-c2n[nH]cc2C(=O)NNc2cccc(C#N)c2)cn1	780948115	DENUTNLAXJDKCI-UHFFFAOYSA-N	307.317	1.439	50	20	DDGD	
CSSCCNC(=O)c1ccc(S(N)(=O)=O)cc1F	791098198	ZJNYWDQBETXPNI-UHFFFAOYSA-N	324.424	1.214	50	20	DDGD	
CC[C@@H]1CC[C@H](C)CC1=NNC(=O)N[C@H]1CCS(=O)(=O)C1	797401674	LKRGRVILKCTCCV-TUAOUCFPSA-N	315.439	1.675	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1ccccc1N(C)C	793079889	WLLUGPGSXFMWJN-UHFFFAOYSA-N	313.448	1.819	50	20	DDGD	
Cc1cnn(C)c1C=NNC(=O)[C@H](C)CN1CCCCCC1	794886529	AICFNXNUEJUNMO-CQSZACIVSA-N	305.426	1.691	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)c1csc(O)n1	792128125	FUZOATBXAYWOLL-UHFFFAOYSA-N	305.359	1.633	50	20	DDGD	
COC1(CC(=O)NNC(=O)Cc2c[nH]c3ccccc23)CCC1	790120581	RZOAJAYFKPXIIX-UHFFFAOYSA-N	315.373	1.817	50	20	DDGD	
O=C(CN1CC[C@@H](c2ccccn2)C1)NNC(=O)c1ccccc1	799195505	DDUHCVXCUCNSPC-OAHLLOKOSA-N	324.384	1.332	50	20	DDGD	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)NNC(=O)CO	795238638	LLTRIWIXNQFEAW-UHFFFAOYSA-N	309.709	1.057	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(O[C@@H]3CCOC3)cc2)ncn1	790719297	SDHQMJVHYQMYDP-CQSZACIVSA-N	314.345	1.710	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1cc(-c2ccccc2)on1	798305792	GUBOXGWMKZERKG-UHFFFAOYSA-N	316.386	1.565	50	20	DDGD	
CN(C)[C@H]1CCCC[C@H]1NC(=O)NNc1cncc(Cl)n1	1318409702	XUYTXYBBZLFEKW-ZJUUUORDSA-N	312.805	1.629	50	20	DDGD	
CC[C@H](C)n1ncc(C(=O)NNc2cnnn2C)c1C1CC1	1329574132	LTRLBOUTDDRVMX-VIFPVBQESA-N	303.370	1.617	50	20	DDGD	
CC1(C)CCCc2sc(NC(=O)NNC(=O)CCO)nc21	1325889169	MZYAREJAJWNQAJ-UHFFFAOYSA-N	312.395	1.292	50	20	DDGD	
C[C@H]1C(=NNC(=O)C[n+]2ccccc2)CC[C@@H](C(=O)O)C1(C)C	1324914910	VEIIFKGBQZLZAV-STQMWFEESA-O	318.397	1.603	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@](O)(C3CC3)C2)C[C@@H]1Br	1328573044	HRUBHVSEZQNAOI-CYZMBNFOSA-N	317.227	1.716	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2(C(=O)C3CC3)CC2)cc1	1324353187	WCFUEYCVKDYSNU-UHFFFAOYSA-N	302.330	1.216	50	20	DDGD	
O=C(CCO)NN=Cc1cc(Br)c2c(c1)OCO2	1330901485	HXSWPOBLDQRKJI-UHFFFAOYSA-N	315.123	1.010	50	20	DDGD	
C[C@H](NNC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(F)(F)F	1331882856	HKRXEBIAOCOBGU-DUBFRAJISA-N	306.328	1.889	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CCCC1	1331326759	OBBIRYAQCNTMOC-UHFFFAOYSA-N	320.393	1.256	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)CC(=O)NNC(=O)[C@@H]1CCCCO1	1337302294	ZZXDJNBZQIXIGU-CABZTGNLSA-N	309.366	1.502	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cccc(C(=O)N2CCCCC2)c1	1347703525	FUFASDWZNOBTNS-ZDUSSCGKSA-N	319.405	1.270	50	20	DDGD	
Cc1cc(C)c2cc(C(=O)NNC(=O)C(C)(C)O)sc2n1	1346683251	FVVOTJVJJQOHRP-UHFFFAOYSA-N	307.375	1.445	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)[C@H]1COc2ccc(F)cc2C1	1261335001	HIUDYFYGFMVJTN-BXUZGUMPSA-N	322.336	1.093	50	20	DDGD	
O=C(O)[C@@H]1CCN(S(=O)(=O)CCCCl)[C@@H]2CCC[C@H]12	1601829673	VNGPHBGFAJXESU-GMTAPVOTSA-N	309.815	1.520	50	20	DDGD	
CC(C)c1oncc1C(=O)NNC(=O)COc1ccc(F)cc1	1520735716	QEZXYXFNLMYIAI-UHFFFAOYSA-N	321.308	1.777	50	20	DDGD	
C=CC(=O)N(CC)CC(=O)NNc1cccc(F)c1C(=O)O	1602798024	GFFBJAPCOMVMLO-UHFFFAOYSA-N	309.297	1.002	50	20	DDGD	
O=C(O)/C=C\c1ccc(C(=O)NNC(=O)Cc2ccsc2)o1	1601877567	OBDBEONMUWQVPW-RQOWECAXSA-N	320.326	1.443	50	20	DDGD	
COc1ccc(C(=O)NN[C@H](C(=O)O)c2ccc(F)cc2)cc1	1607206511	YLPTUERGGXTEFJ-AWEZNQCLSA-N	318.304	1.895	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2ccc(C(=O)O)c(F)c2)CC1	1605515418	MPFNBOFEWMLJNJ-UHFFFAOYSA-N	310.281	1.310	50	20	DDGD	
O=C(O)CCCCC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	1606142028	NPWAQIRSVFFTLB-UHFFFAOYSA-N	323.305	1.213	50	20	DDGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCC(O)(C(=O)O)CC1	1601063108	NWMOKFDMWDDCGO-WLRTZDKTSA-N	317.301	1.371	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1nc(COC)c(C(=O)O)s1	1605503995	PWPBJJXIBBBFIR-FNORWQNLSA-N	311.319	1.370	50	20	DDGD	
O=C(CCSc1ccccn1)NNc1ccc(C(=O)O)cn1	1601283582	GWGQXOOZSYKPBO-UHFFFAOYSA-N	318.358	1.800	50	20	DDGD	
O=C(C[C@H]1CCOC1)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1606503643	SFVBMFQZWFIVLS-MRVPVSSYSA-N	322.756	1.390	50	20	DDGD	
CC(C)(C(=O)O)c1ccc(NC(=O)NNc2ccncn2)cc1	1609651726	WCYHSGAQPXIUCW-UHFFFAOYSA-N	315.333	1.987	50	20	DDGD	
COCc1nc(C(=O)NNc2ccc(CC(=O)O)cc2)co1	1606973278	LTTXHHDDNINACB-UHFFFAOYSA-N	305.290	1.205	50	20	DDGD	
O=C(O)c1cc(C(=O)NNc2nccnc2C2CCC2)on1	1608836961	AQRCQJGKTSWMAR-UHFFFAOYSA-N	303.278	1.187	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C[C@H]1CCCO[C@H]1c1ccnn1C	1552448601	CZYCFBIWNMWJFU-BXUZGUMPSA-N	316.365	1.335	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@H]1CC[C@H]1C(=O)O)c1ccccc1	1588610198	VLNSTLOBVAGDNX-VXGBXAGGSA-N	304.346	1.222	50	20	DDGD	
CCC(CC)(C(=O)O)C(=O)NNC(=O)Cc1ccccc1C	1589475608	CALWXUZAFXEVQA-UHFFFAOYSA-N	306.362	1.576	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)c2cnco2)C1	1841729484	TXYAAZQUXUTARC-SECBINFHSA-N	301.705	1.026	50	20	DDGD	
Cc1ccc(C(=O)N2CC3(CCCN3C(=O)[C@@H](F)Cl)C2)o1	1843362132	DXSIVHXRCYZNEW-LLVKDONJSA-N	314.744	1.939	50	20	DDGD	
O=C([C@@H]1CCCS1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843367165	KELGXZGFBCHTNN-UWVGGRQHSA-N	320.817	1.620	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccc(C(=O)O)cn1)c1cccnc1	1592253398	WVELVLLSTADZBF-JTQLQIEISA-N	300.318	1.812	50	20	DDGD	
Cc1nn(C)c(C)c1NC(=O)NNc1ncccc1C(=O)O	1594482443	RQRMMUGVOJNTEL-UHFFFAOYSA-N	304.310	1.279	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)Nc1cnn2ccccc12	1594781089	GGTGSSKUOJOWMO-UHFFFAOYSA-N	312.289	1.576	50	20	DDGD	
C[C@](CC(=O)O)(NS(=O)(=O)CCCCl)c1ccncc1	1592329189	DJMRFYCTNKJQME-GFCCVEGCSA-N	320.798	1.320	50	20	DDGD	
COc1ccc2[nH]c3c(c2c1)CC(=NNC(=O)C(=O)O)CC3	1599623478	DJWYSJJBZMZJRB-UHFFFAOYSA-N	301.302	1.222	50	20	DDGD	
CN(NC(=O)Nc1nc2c(s1)CC[C@@H](C(=O)O)C2)C1CC1	1598541977	UQGVGGRTGSPXGB-SSDOTTSWSA-N	310.379	1.463	50	20	DDGD	
N#Cc1cnc(C(=O)NNc2ncccc2C(=O)O)c(Cl)c1	1594633572	WQNZZJZRBINHQD-UHFFFAOYSA-N	317.692	1.457	50	20	DDGD	
CCCNC(=O)/C(C#N)=C\c1ccc(C(=O)O)cc1[N+](=O)[O-]	1776812987	AHWPIVWXFLDIRL-WDZFZDKYSA-N	303.274	1.726	50	20	DDGD	
COc1cc(OC)c(C(=O)O)cc1/C=C(/C#N)S(C)(=O)=O	1777325679	IVUSKAOJWFAVKG-WTKPLQERSA-N	311.315	1.311	50	20	DDGD	
CON(C)C(=O)CCC(C)=NNC(=O)c1ccc(C(=O)O)cc1	1776100340	CCTWWKUZAJYUND-UHFFFAOYSA-N	321.333	1.291	50	20	DDGD	
COc1cc(/C=C(/C#N)S(=O)(=O)N(C)C)ccc1C(=O)O	1777285184	DYFWJEMMZMKLFQ-POHAHGRESA-N	310.331	1.149	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc[nH]1)[C@H](F)Cl	1795068760	YJAIMSWVLRFGQD-DKIAZLNASA-N	314.748	1.196	50	20	DDGD	
O=C(CSc1cccc[n+]1[O-])NNC(=O)c1ccccc1F	5780048	YREKCOYGEXLJGW-UHFFFAOYSA-N	321.333	1.012	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)CC1(C)CCCCC1	160673294	AGMIVUSSAPYBCS-UHFFFAOYSA-N	311.426	1.799	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)CNC(=O)Cc1ccccc1	160899748	PMBIARVAHGOMQO-UHFFFAOYSA-N	315.348	1.936	50	20	DDGD	
COC(=O)NCCC(=O)NNc1nc(C(F)(F)F)cs1	152800925	IMBNOHGNUHQOHU-UHFFFAOYSA-N	312.273	1.351	50	20	DDGD	
CN(C)C1(CNS(=O)(=O)CBr)CCCCC1	127358164	UPEYWEIGLRCKLZ-UHFFFAOYSA-N	313.261	1.523	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cc(Cl)ccc2F)n1	7961720	QHALYBDUCNAXBF-UHFFFAOYSA-N	324.743	1.754	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2snnc2C)cc1	7964436	NZBMIUBEOXLTSZ-UHFFFAOYSA-N	322.415	1.708	50	20	DDGD	
CC(C)Cc1ccc(C(=O)NNC(=O)C(=O)NC(C)C)cc1	8391280	RLALWGJCVNUSSR-UHFFFAOYSA-N	305.378	1.171	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2ccc(F)cc2)c(O)c1	60792651	PODWVQBXWBWPJH-UHFFFAOYSA-N	318.304	1.680	50	20	DDGD	
CCCSCC(=O)NNC(=O)Cc1cn2ccccc2n1	173888941	VEOBJKCWDSVDGW-UHFFFAOYSA-N	306.391	1.167	50	20	DDGD	
O=C(Cc1ccccc1Br)NNc1cnccn1	114881170	INPIEWGZOAIPER-UHFFFAOYSA-N	307.151	1.925	50	20	DDGD	
Cn1nnc2cc(C(=O)NNc3ccccc3[N+](=O)[O-])ccc21	104198708	BKZPWKPHLPDNSB-UHFFFAOYSA-N	312.289	1.633	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CNC(=O)c2cccc(F)c2)n1	22235119	SQRYWENLLHLNFQ-UHFFFAOYSA-N	317.324	1.106	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H](c2ccccc2)N(C)C)nn1	106327892	LHFFPCLEIHYECS-CQSZACIVSA-N	314.393	1.714	50	20	DDGD	
COc1ccccc1C(=O)NNS(=O)(=O)c1cccc(F)c1	67437906	KEPREGKQIJLUAM-UHFFFAOYSA-N	324.333	1.458	50	20	DDGD	
C[C@H]1CC[C@H](CCC(=O)NNC(=O)Cc2ccccc2F)O1	173197818	UCAGOIXXBDQNDK-WCQYABFASA-N	308.353	1.863	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)NCC(F)(F)F)c1ccccc1	60411228	GZCYZIPTMOZRDV-VQHVLOKHSA-N	301.268	1.983	50	20	DDGD	
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2cccc(B(O)O)c2)o1	405022231	XRUKIDDTPXDGEN-ABAIWWIYSA-N	313.162	1.654	50	20	DDGD	
CCCOc1ccc(CCC(=O)NNC(=O)CN(C)C)cc1	175945005	MDGFISHKIMZASH-UHFFFAOYSA-N	307.394	1.117	50	20	DDGD	
CCNC(=O)NNC(=O)CCC(=O)c1ccc(OCC)cc1	65191288	JTIBVOKNMCJUIN-UHFFFAOYSA-N	307.350	1.399	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2nc[nH]n2)cc1	175935713	QAFPCHGHDDWUNO-KAQJVSAMSA-N	311.345	1.988	50	20	DDGD	
O=C(NNS(=O)(=O)c1cc(F)ccc1F)NC1CCCC1	65833036	CJIDQEKYMFZNEE-UHFFFAOYSA-N	319.333	1.400	50	20	DDGD	
Cc1cnc2c(S(=O)(=O)NNC(=O)CC(C)C)cccc2c1	24369681	RCKPEIOAYHPVQM-UHFFFAOYSA-N	321.402	1.899	50	20	DDGD	
CCN1CCN(CCC(=O)NNc2c(F)cccc2F)CC1	118513411	CIBKEVJOLUNGMD-UHFFFAOYSA-N	312.364	1.436	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNC(=O)NCc2ccco2)c1	65175903	KJMVIZIOXFVBKP-UHFFFAOYSA-N	317.301	1.210	50	20	DDGD	
Cc1cc2c(cc1C)O[C@H](C(=O)NNc1ncc(F)cn1)C2	123025509	VGTBJUQTBDGZCC-ZDUSSCGKSA-N	302.309	1.679	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCc1cnn(C)c1C	122360605	RHSVGASSTYLGQK-UHFFFAOYSA-N	316.365	1.573	50	20	DDGD	
CC(C)C[C@H](CCO)CNC(=O)NNC(=O)c1ccccc1	120915143	JNAWNNXLWWDEET-ZDUSSCGKSA-N	307.394	1.675	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H](CO)C(C)C)cc(C#N)n1C	180999237	CZCNCYJKADQBLM-DTHCKZEYSA-N	300.362	1.245	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C[C@H]2C=CCC2)nc1C	182719201	IJSKSMLUJRXKIR-NSHDSACASA-N	304.350	1.761	50	20	DDGD	
CC1(C)C[C@H](NC(=O)NNC(=O)Cc2cccnc2)C(C)(C)O1	180994649	KFRXUBAELNMVJY-LBPRGKRZSA-N	320.393	1.301	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)N[C@H]2C=CCCC2)c1	181695561	FHLWULVYJVCYQU-NSHDSACASA-N	309.391	1.825	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1sccc1-n1cnnn1	184385924	LFTPUAAIDBMUBW-UHFFFAOYSA-N	318.337	1.928	50	20	DDGD	
Cc1cc(C)n2nc(C)c(C(=O)NNC(=O)c3cccnc3)c2n1	79704645	KVAVWUGBZJBCLJ-UHFFFAOYSA-N	324.344	1.124	50	20	DDGD	
Cc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)NCC(F)(F)F	77649420	BMJZVYPRSRLOHY-WDEREUQCSA-N	315.295	1.991	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNc1cc(C)nc(C)n1	128855549	YAQFVTQXCGAGMK-GFCCVEGCSA-N	305.382	1.328	50	20	DDGD	
CC(C)C[C@@H]1OCCC[C@H]1NC(=O)NNC(=O)c1ccc[nH]1	186240096	LZQBXCJAZMSNNV-YPMHNXCESA-N	308.382	1.552	50	20	DDGD	
COCCn1ccc(NC(=O)NNC(=O)c2ccc(C)s2)n1	184746652	WQXJPTGLNTXNST-UHFFFAOYSA-N	323.378	1.366	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNC(=O)C(C)(C)C)c1cccs1	79197598	PHESBXOLADLEEW-SNVBAGLBSA-N	312.439	1.727	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(Br)c2)on1	80965749	CQASTFDKXBFGJZ-UHFFFAOYSA-N	324.134	1.820	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCC(C)(C)C(N)=O)cc1	194562608	WIVVRGNGMJVIJW-UKTHLTGXSA-N	315.373	1.620	50	20	DDGD	
CN(C)C(=O)CCCNC(=O)NNc1cccc([N+](=O)[O-])c1	193836460	UWNWTHOSNHZGJH-UHFFFAOYSA-N	309.326	1.089	50	20	DDGD	
CC(=O)[C@@H](C)SCC(=O)NNC(=O)c1ccccc1Cl	83121463	NTWQDOLEHZNAMB-SECBINFHSA-N	314.794	1.812	50	20	DDGD	
O=C(NCC1CC1)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	191932996	MBKFVFDFSMSGPG-UHFFFAOYSA-N	312.713	1.218	50	20	DDGD	
CC[C@@H](C)n1ncc(C(=O)NNC(=O)CN(C)C)c1C1CC1	89814625	QYAZCACMFREEQV-SNVBAGLBSA-N	307.398	1.054	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2CCO[C@H](C3CC3)C2)n1	130615181	MANBIFSLLPOWAL-STQMWFEESA-N	305.382	1.677	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cccc(F)n2)c(O)c1	134333458	MZIZIJSUUOLRQV-UHFFFAOYSA-N	304.281	1.701	50	20	DDGD	
Cc1nc(NC(=O)C(=O)NNc2ccc(C#N)cc2)sc1C	193307217	CVBLVFFMCPDCIQ-UHFFFAOYSA-N	315.358	1.713	50	20	DDGD	
N[C@H]1CCC[C@H](C(=O)NNc2nc(-c3ccccc3)no2)C1	238045693	GNTSQDMHAMXAFC-RYUDHWBXSA-N	301.350	1.697	50	20	DDGD	
C[C@H](CCN(C)C)NC(=O)NNC(=O)c1cc2ccccc2o1	267336533	MZXPOHVGFDIMMB-LLVKDONJSA-N	318.377	1.717	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cncc(O)c1	264703631	CEYWPODUMMBTEO-UHFFFAOYSA-N	315.373	1.765	50	20	DDGD	
COC(=O)C[C@@H]1CCCN1C(=O)NNC(=O)c1ccccc1	269347096	IUNZMPWZDDPGJC-LBPRGKRZSA-N	305.334	1.069	50	20	DDGD	
CCO[C@H](CCNC(=O)NNc1nccc(OC)n1)C(C)C	266861844	PEJPZRXKVNYRHO-LLVKDONJSA-N	311.386	1.563	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)O1	268361916	UGKIRPOTEAEZJA-MPKXVKKWSA-N	324.352	1.698	50	20	DDGD	
CCCC(O)(CCC)CC(=O)NNc1ncnc2nc[nH]c12	269698647	PGPZDAHXFKMVLG-UHFFFAOYSA-N	306.370	1.517	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)C2(C)CCC2)nc2ccccc21	267423318	LFEQINHQMYYDHO-UHFFFAOYSA-N	300.362	1.453	50	20	DDGD	
CCc1noc(-c2ccc(C)c(NC(=O)NNC(=O)OC)c2)n1	363600134	KBGHDUJXUYAKJK-UHFFFAOYSA-N	319.321	2.000	50	20	DDGD	
CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC=C(C#N)CC1	369898043	NODJNBCCQARKSH-KRWDZBQOSA-N	309.369	1.642	50	20	DDGD	
C[C@@H](NC(=O)CC(C)(C)C)C(=O)NNc1nc2ccccn2n1	276684764	DJEWWAVJUNKKJR-SNVBAGLBSA-N	318.381	1.113	50	20	DDGD	
CSc1ccccc1NC(=O)C(=O)NNC(=O)CC(C)(C)C	274033903	DGRVTHLQZPPDCF-UHFFFAOYSA-N	323.418	1.931	50	20	DDGD	
CCC(=O)Nc1ccc(NC(=O)NNC(=O)CC2CC2)cc1	273485948	MLXJJISUXCJOCQ-UHFFFAOYSA-N	304.350	1.988	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)NOC[C@H]1CCOC1	276224571	CQSGEQWGNBLLNU-JTQLQIEISA-N	318.333	1.080	50	20	DDGD	
C[C@H]1C(=O)CC[C@H](C(=O)NNC(=O)Cc2ccncc2)C1(C)C	275753036	JMDLSLTYOQJWPJ-WCQYABFASA-N	317.389	1.413	50	20	DDGD	
CCOC(=O)[C@H](CC(C)C)NNC(=O)COCc1ccccc1	272741429	HELYZSMYXHUUJT-HNNXBMFYSA-N	322.405	1.802	50	20	DDGD	
O=C1CCc2cc(OS(=O)(=O)CBr)ccc21	275400672	BSSRUNVQZJXGIZ-UHFFFAOYSA-N	305.149	1.877	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc2cnn(CC)c2c1	276044062	NYMNQRLXLUPRIY-UHFFFAOYSA-N	304.354	1.754	50	20	DDGD	
CC(C)c1ccccc1NC(=O)C(=O)NNC(=O)C1CCC1	274099578	OPYWDAGCOXGSHF-UHFFFAOYSA-N	303.362	1.696	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)[C@@H]1CCCCS1(=O)=O	275091722	UTNUDSRMXWEYFF-LBPRGKRZSA-N	300.355	1.545	50	20	DDGD	
CN(C)c1cccc(CCC(=O)NNC(=O)NC2CCCC2)c1	279574407	PZGKUGNKCICCJB-UHFFFAOYSA-N	318.421	1.958	50	20	DDGD	
COC(=O)NNC(=O)[C@@H]1CCCN1c1ncnc2sccc12	370387314	GBZFLEIMEMKIKD-VIFPVBQESA-N	321.362	1.047	50	20	DDGD	
COCCN(C)NC(=O)Cc1c(C)nn(CC(F)(F)F)c1C	288485598	SGCACNPJMBVDBC-UHFFFAOYSA-N	322.331	1.214	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H](C)OC[C@H]1CCCO1	281286454	QOEUKILKUIQGLO-CHWSQXEVSA-N	321.377	1.732	50	20	DDGD	
CC(=O)N1c2ccccc2C[C@H]1C(=O)NNc1cc(C)ncn1	377679378	OUBFCTKXMOLTIM-AWEZNQCLSA-N	311.345	1.206	50	20	DDGD	
Cc1ncc2n1CC[C@H](C(=O)NNc1ccccc1[N+](=O)[O-])C2	289946655	VZPAOFFFIDFKAH-NSHDSACASA-N	315.333	1.805	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	285158815	YBUXSMZNLQAYDM-ZUZCIYMTSA-N	307.325	1.680	50	20	DDGD	
COCCN(C)NC(=O)c1cnn(-c2ccccc2C)c1C	288487945	SMIJXVGKRWOYSP-UHFFFAOYSA-N	302.378	1.712	50	20	DDGD	
C#CC[C@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1ccccc1	292505324	HFDSZFDNTHKMDR-KBPBESRZSA-N	301.346	1.260	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C\c1cc(OC)c(O)c(OC)c1	298608299	JAXUJZIHVKCTNN-IUIMMGEKSA-N	320.345	1.467	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)c2cccc(N(C)C)c2)nn1	807948868	BBLVUJPSZDIYJZ-UHFFFAOYSA-N	300.366	1.689	50	20	DDGD	
CCOC(=O)Oc1ccc(C(=O)NNc2ncccn2)cc1	800407537	PXLVFPKEHPZCFT-UHFFFAOYSA-N	302.290	1.769	50	20	DDGD	
CN1C(=O)Cc2cc(NC(=O)NNc3ncccc3F)ccc21	806495330	PJWBGWOOKLQUMN-UHFFFAOYSA-N	315.308	1.888	50	20	DDGD	
CC[C@H](OC1CCCCC1)C(=O)NNC(=O)N=c1cc[nH]cc1	802035411	GSBQNOYFUFCCSB-AWEZNQCLSA-N	320.393	1.784	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)Nc1ccc2c(c1)OCO2)C1CC1	802092811	DIDSMCXPOFLHHB-RMKNXTFCSA-N	303.318	1.924	50	20	DDGD	
CC(=O)NCCCCCC(=O)NNC(=O)c1ccc(C)s1	299188968	JGIGOCQYDQSTCY-UHFFFAOYSA-N	311.407	1.514	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2cccc(OCC#N)c2)O1	292582563	IGUSFNKYFWEHNI-GWCFXTLKSA-N	318.333	1.309	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1nc(C)oc1C	293202796	ZPRZFWSLFISTHP-UHFFFAOYSA-N	303.318	1.304	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N=c2cc[nH]cc2)c1Cl	802025646	LKXMDUZNUFCADL-UHFFFAOYSA-N	310.766	1.993	50	20	DDGD	
COCC(=O)NN=Cc1cc(Br)cc(C)c1O	814871265	MMOCKGOIJFKKLX-UHFFFAOYSA-N	301.140	1.560	50	20	DDGD	
C[C@@H]1C(=NNC(=O)c2ccc(O)c(O)c2)CC[C@@H]1CC(=O)O	814921218	WMQCOXGOHMZLSM-DTWKUNHWSA-N	306.318	1.704	50	20	DDGD	
CCNC(=O)NNC(=O)C1(c2cccc(Cl)c2)CC(=O)C1	813424609	RBFBNCVZZFFCID-UHFFFAOYSA-N	309.753	1.291	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)COc2ccccc2O)[C@@H]1SC	814953497	OWKOEZVKNJRDMD-ZFWWWQNUSA-N	324.402	1.784	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])c[nH]1	816528209	RBCUVEXXINNRST-UHFFFAOYSA-N	322.252	1.606	50	20	DDGD	
C=CCOc1cc(OC)ccc1C(=O)NNc1cnnn1C	816770970	SVDKIAZDARRJPO-UHFFFAOYSA-N	303.322	1.145	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1C[C@H]2C[C@@H](C(=O)OC)[C@H]1C2	817323421	YYCJAJWJTKMYHA-JHJVBQTASA-N	309.410	1.410	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN(c2ccccc2)C1=O)C1CCC1	815552655	HCZKRMGFWJHVBY-CQSZACIVSA-N	315.373	1.377	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccc(Cl)cc1[N+](=O)[O-]	817078926	AEDQCPVPJKJQPI-UHFFFAOYSA-N	311.660	1.934	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NNc1ncncc1F	817071128	QCMOWDKZKUBMQK-UFBFGSQYSA-N	304.281	1.287	50	20	DDGD	
COc1cc(C(C)=NNC(=O)CCOc2ccccc2)on1	814823755	UYGPFFBLAQGSFX-UHFFFAOYSA-N	303.318	1.993	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1cccc2c[nH]nc12	728077228	TYFSZZHYBWYITL-UHFFFAOYSA-N	321.300	1.765	50	20	DDGD	
Nc1nc2c(s1)C(=NNC(=O)Cc1ccncc1)CCC2	814862899	WVELMAQDXBLSQC-UHFFFAOYSA-N	301.375	1.520	50	20	DDGD	
O=C(NN=C1CCn2cccc21)c1ccc(-n2cnnn2)cc1	818254944	FYOBNQDFFRODSC-UHFFFAOYSA-N	307.317	1.002	50	20	DDGD	
O=C(C[n+]1ccccc1)NN/C=C1/C=Cc2ccccc2C1=O	814695295	VTFHRVIALMVYSZ-UHFFFAOYSA-O	306.345	1.389	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@H]1CCC[C@@H]1c1ccccc1	822854655	RDILUIPWLHFNHY-CABCVRRESA-N	317.389	1.643	50	20	DDGD	
Cc1cc(-n2c(C)cc(C=NNC(=O)CN(C)C)c2C)no1	727649298	FQXPIOLBRHUQMJ-UHFFFAOYSA-N	303.366	1.402	50	20	DDGD	
Cc1ccccc1C[C@H](C)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	825742923	HJPVBILYLZBLIV-GUTXKFCHSA-N	319.405	1.681	50	20	DDGD	
C[C@H]1OC(=O)N[C@H]1C(=O)NNc1ncc(Cl)cc1Cl	496330382	RUFQDJDBOXGSGZ-CLZZGJSISA-N	305.121	1.328	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)C[C@H](c1ccccc1)c1ncc[nH]1	823921855	DDEHUDWYPLVOGH-GXTWGEPZSA-N	302.378	1.276	50	20	DDGD	
CCN1CCC(CNC(=O)/C(C#N)=C\c2cnn(C)c2)CC1	491046047	GKGQJPWZCDRDPA-NVNXTCNLSA-N	301.394	1.175	50	20	DDGD	
Cc1nc(C)c([C@H](C)N(C)CC(=O)NNC(=O)C(C)C)s1	827772793	WDLVBPVDNKLHKX-JTQLQIEISA-N	312.439	1.556	50	20	DDGD	
CNS(=O)(=O)c1ccc(C(C)=NNC(=O)c2ccc[nH]2)cc1	725854346	MKLBAJDXYKVHKW-UHFFFAOYSA-N	320.374	1.077	50	20	DDGD	
CCN(CCO)NC(=O)C1(Cc2ccccc2)CCOCC1	823888976	DBZYUMNEHHESNS-UHFFFAOYSA-N	306.406	1.371	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cccc(OCCC(=O)O)c1	490612372	XWTIOTMCDNAXTG-LCYFTJDESA-N	318.329	1.210	50	20	DDGD	
OB(O)c1ccccc1CNc1cc(F)cc(N2CCCC2)c1	585012798	HCKRFCFJFHMQHO-UHFFFAOYSA-N	314.169	1.718	50	20	DDGD	
CC[C@H](C)[C@H](C)N(C(=O)c1cc(B(O)O)ccc1F)C1CC1	584942005	PHKDRTUZJOAJSK-QWRGUYRKSA-N	307.174	1.545	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2ccccc2C(=O)O)n1	725858315	ZBJCGRLOWSVLLR-UHFFFAOYSA-N	303.343	1.843	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cn(CC(C)C)nc1C(F)F	827691555	ZOVAXZRRAIYEOC-UHFFFAOYSA-N	317.340	1.783	50	20	DDGD	
COc1ccc(-n2nc(C(=O)NN(C)C[C@@H](C)O)cc2C)cc1	824695205	QRMONYUWFVFICC-GFCCVEGCSA-N	318.377	1.147	50	20	DDGD	
CCO/C=C\C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	492836399	JSQKALMJOCXCRM-XPSMFNQNSA-N	306.362	1.768	50	20	DDGD	
Cc1ccc(C2(CNC(=O)c3ccc(B(O)O)cc3)CC2)c(C)c1	584996165	ZIOZJMBVIBNDQP-UHFFFAOYSA-N	323.201	1.445	50	20	DDGD	
COc1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)ccc1C	826176726	BABRRVVRFWEINH-UHFFFAOYSA-N	324.344	1.941	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1cccc2c1CCCC2	901966132	MJNPCSUOMWSIJM-UHFFFAOYSA-N	320.414	1.678	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NC[C@@H](O)COCC1CC1	491047435	IUTIEMZXGOOORP-SNQWNFELSA-N	316.357	1.203	50	20	DDGD	
CCC/C(C)=C\C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	736418798	HEQXCALTXTUZIY-NTMALXAHSA-N	314.349	1.374	50	20	DDGD	
C[C@]1(C(=O)N2CCN(C(=O)C3CC3)CC2)C[C@@H]1Br	905263567	QUBFKMNFPHDPMD-GWCFXTLKSA-N	315.211	1.241	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1nonc1C	736667690	SDWTZILNZOVFAW-UHFFFAOYSA-N	310.697	1.115	50	20	DDGD	
C[C@@H](NCc1ccc(B(O)O)o1)c1nc(C2CCCCC2)no1	585038012	PKSDESRGKKXMJS-SNVBAGLBSA-N	319.170	1.241	50	20	DDGD	
CCn1cc(Cl)cc1C(=O)NNC(=O)NCC(F)(F)F	907967951	RWGNKDMYMPYNLB-UHFFFAOYSA-N	312.679	1.668	50	20	DDGD	
O=C(c1ccc(F)cc1C(F)(F)F)N1CC[C@@H](B(O)O)C1	585064068	BZWYVJAQAMWKED-SSDOTTSWSA-N	305.036	1.533	50	20	DDGD	
C[C@H]1CCc2ccccc2N1CCC(=O)N1CC[C@@H](B(O)O)C1	585068672	DGODEWFFDZGEDP-DZGCQCFKSA-N	316.210	1.293	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1ccccc1Cn1ccnc1	491133376	PEJIAUDEBDBDGG-VBKFSLOCSA-N	310.357	1.992	50	20	DDGD	
C/C(=C(\F)C(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1CC1	901350797	VALQMPVSFZQIEK-DHZHZOJOSA-N	315.345	1.312	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)COCc2ccccc2)cn1	737635297	YUDPCEHKNMXWKF-UHFFFAOYSA-N	309.325	1.041	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)C(C)(C)C	495393300	NISMLMUAJOQRKZ-SNVBAGLBSA-N	315.414	1.731	50	20	DDGD	
C[C@]1(C(=O)N2CCC3(CC2)CNC(=O)C3)C[C@H]1Br	906869664	IVPHVCNEBMLXIQ-SKDRFNHKSA-N	315.211	1.289	50	20	DDGD	
CCO[C@H]1CCCC1=NNC(=O)CCNC(=O)OC(C)(C)C	496682644	UDPWKZDPUWCQHG-LBPRGKRZSA-N	313.398	1.962	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H](O)C(C)(C)C)c1C	735839105	YPUBDSVJQQXISM-TZMCWYRMSA-N	322.405	1.625	50	20	DDGD	
C[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H]2Br)CCS1(=O)=O	907745905	GUFCELLGUSTYIX-WCABBAIRSA-N	324.240	1.196	50	20	DDGD	
CC[C@H](CNC(=O)NNc1cccnn1)NC(=O)OC(C)(C)C	496382609	NZLFDKHURDXDJO-SNVBAGLBSA-N	324.385	1.406	50	20	DDGD	
CCn1ccnc1C(C)=NNC(=O)Cc1nc2ccccc2n1C	834926454	NDEBYJDWPVYURZ-UHFFFAOYSA-N	324.388	1.873	50	20	DDGD	
Cc1cc(N2CCCC2)ccc1NCc1ccccc1B(O)O	585013280	XMDJOIPCICCZGR-UHFFFAOYSA-N	310.206	1.887	50	20	DDGD	
CCOC(=O)[C@@H](CC(=O)NNc1cc(C)ccc1F)C(C)=O	830821327	QYZCMNMCVAQWLB-NSHDSACASA-N	310.325	1.736	50	20	DDGD	
C#CCO[C@H](C)C(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	830614270	CSSOGSDAUIAAGT-MNOVXSKESA-N	324.764	1.293	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H](C)Cc1cnn(C)c1	837406708	JVNKBXFOGLIPGD-NSHDSACASA-N	316.361	1.069	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)Cc1ccnc(OC)c1	834961594	IPFBFPIVOOZLIR-UHFFFAOYSA-N	320.393	1.430	50	20	DDGD	
COCC(C)(C)C(=O)NNc1cccc(Br)n1	837211034	CXKTZKXKGGSYJE-UHFFFAOYSA-N	302.172	1.960	50	20	DDGD	
CO[C@]1(C)C[C@@H](NC(=O)NNC(=O)N=c2cc[nH]cc2)C1(C)C	836335976	SRSYPBAKSSBSMK-IAQYHMDHSA-N	321.381	1.043	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccc(Cl)cc2)CC1)c1ncon1	832826338	XCHWZGADOLGIKD-UHFFFAOYSA-N	320.736	1.507	50	20	DDGD	
CO[C@@H](C1CC1)[C@@H](C)NC(=O)NNC(=O)c1ccccc1C	836192841	QBQYOEWUWWKBSS-BXUZGUMPSA-N	305.378	1.753	50	20	DDGD	
CC(C)c1ocnc1C(=O)NNC(=O)c1cccc(N(C)C)c1	731873737	FRPLKCLMNCKLLN-UHFFFAOYSA-N	316.361	1.939	50	20	DDGD	
C[C@H](C1CC1)N(C)CC(=O)NNC(=O)c1ccc(C#N)cc1	839463523	JBPRAGFOKIZFFA-LLVKDONJSA-N	300.362	1.050	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@H]1C[C@@H]1C(=O)O	737268027	XDNAGNAVFSXBSE-QWRGUYRKSA-N	321.402	1.596	50	20	DDGD	
CN1[C@H]2CC[C@H]1CC(NC(=O)[C@]1(C)C[C@@H]1Br)C2	909206423	MENPWRBSCZCERI-MRBYEJRBSA-N	301.228	1.901	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCSc3c(F)cccc32)o1	585017806	LFUIRLKDTUPMPJ-LBPRGKRZSA-N	307.155	1.425	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCCO1)c1ccc2c(c1)CC(=O)N2	834988445	JVTIMQUAXNCQTE-AWEZNQCLSA-N	301.346	1.591	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)NNC(=O)C2CCC2)C1	732453357	CRGILIUVMZNCDZ-FRRDWIJNSA-N	310.442	1.483	50	20	DDGD	
COc1ccnc(NNC(=O)Cc2ccc(NC(C)=O)cc2)n1	914762848	RGKPTVKWJNPYCK-UHFFFAOYSA-N	315.333	1.129	50	20	DDGD	
O=C(O)NNC(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O	833280801	QDLJNJPNCPDHJI-UHFFFAOYSA-N	320.280	1.340	50	20	DDGD	
COc1cccc(C)c1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	831735618	RFYCUIKXSYRYEG-QWRGUYRKSA-N	307.350	1.581	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2CCCN(C)C2=O)c(Cl)c1	838503861	GJRVKGFGGRLAEF-GFCCVEGCSA-N	310.785	1.895	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cccc2c1CCN2	841125914	WCTQKJSPHQPRJV-UHFFFAOYSA-N	311.432	1.721	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncnc2ccsc12)[C@@H]1CCCNC1	841928949	VWMYTKGUNNVLGF-NXEZZACHSA-N	320.422	1.706	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)[C@H](C)OCCOC)C12CCCC2	748260719	XBXNPKHRFDFHBP-GXTWGEPZSA-N	312.410	1.879	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@@H]1C[C@@H](C)O[C@H]1C	840437274	UEXOXFORJFPAFV-AGIUHOORSA-N	305.378	1.753	50	20	DDGD	
O=C(NNc1cnccn1)C1CCN([C@H]2CCSC2)CC1	847754855	QKDLECIAYYEHCU-LBPRGKRZSA-N	307.423	1.137	50	20	DDGD	
CCc1nc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)c2ccccn12	842561191	JGOJFZSXJNPRTF-VXGBXAGGSA-N	300.362	1.772	50	20	DDGD	
CCCCNc1ccccc1C(=O)NNC(=O)C(=O)NC(C)C	847298741	QXQDHZNHSMVJDF-UHFFFAOYSA-N	320.393	1.184	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CCC2CCOCC2)c1O	743317827	ZNOWUSZPRCLKGJ-UHFFFAOYSA-N	322.361	1.369	50	20	DDGD	
COc1ccc2c(c1)c(C(=O)NNC(=O)C(C)(C)O)c(C)n2C	843866776	ZXJKLCAJTUHQRL-UHFFFAOYSA-N	319.361	1.027	50	20	DDGD	
CC(C)C(=O)NCCNC(=O)NNc1ccc(F)c(F)c1	913901114	ORWUXAWXJWHYDX-UHFFFAOYSA-N	300.309	1.363	50	20	DDGD	
CC(CCO)=NNC(=O)CCN1CCN(c2ccccc2)CC1	749853045	BKFUFTIQZHDLKK-UHFFFAOYSA-N	318.421	1.073	50	20	DDGD	
CO[C@H](C=NNC(=O)CCc1ccccc1O)[C@@H]1CCOC1	841623210	GJPLUOFGYXWZLK-UKRRQHHQSA-N	306.362	1.478	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(N2CCOCC2)c(C)c1	843882712	SOJKMYCOTDLSNE-UHFFFAOYSA-N	307.350	1.175	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(F)c(F)c(F)c1)N1C(=O)CCC1=O	748810469	ARRANLXJUKUOBN-LURJTMIESA-N	315.251	1.085	50	20	DDGD	
CCCNCCNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	841960777	FYXPYDKSMMXHRN-UHFFFAOYSA-N	322.453	1.533	50	20	DDGD	
Cc1cc(OCC(=O)NNc2cc(F)c(F)c(F)c2)no1	746701078	HPLRTPLEDIQQIT-UHFFFAOYSA-N	301.224	1.922	50	20	DDGD	
NC(=O)NCc1ccc(C(=O)NNc2ccccc2F)cc1	748057243	MBNKSONFXPTBSI-UHFFFAOYSA-N	302.309	1.751	50	20	DDGD	
Cc1cc(C=NNC(=O)N(C)C)c(C)n1CCN1CCOCC1	745601445	AFYUPGOEFDXMCN-UHFFFAOYSA-N	321.425	1.042	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)NC(=O)NNc1ccc(Cl)cc1F	918606359	AYAWYJAOVOPWTK-ZETCQYMHSA-N	323.777	1.538	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=S)NCC1CC1	849252710	HRJXAKZSYAXKOB-VIFPVBQESA-N	311.382	1.498	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=Cc1ccc(C)nn1	841606259	CISBHGPGJBHDFH-UHFFFAOYSA-N	314.345	1.713	50	20	DDGD	
CC(=NNC(=O)c1cccnc1)c1ccc([S@@](C)=O)cc1	746366885	STLZANDHAMZWHO-OAQYLSRUSA-N	301.371	1.973	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)CCC(F)(F)F	743368013	LXQHJIXXQJSNBQ-UHFFFAOYSA-N	310.297	1.876	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)o1	847444614	IVBWVTJOWQSDED-OLZOCXBDSA-N	320.393	1.549	50	20	DDGD	
CC(C[C@@H]1CCCC(=O)N1)=NNC(=O)COc1cccc(C)c1	841607838	ZSJKLIAEJAIPAM-AWEZNQCLSA-N	317.389	1.925	50	20	DDGD	
COCCn1cc(C(=O)N(C)CC(Cl)Cl)ccc1=O	848080673	ASYJCNLCGLGHLW-UHFFFAOYSA-N	307.177	1.370	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@]1(C)CCOc2ccccc21	929241520	BTHQLEBEEDWFCN-OAHLLOKOSA-N	305.403	1.408	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12	847444581	IQYYDDJEQXJCNL-OLZOCXBDSA-N	310.442	1.770	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)[C@@H](O)C2CC2)cc1OC	854235968	ITPGFWQNDCACLQ-AWEZNQCLSA-N	322.361	1.016	50	20	DDGD	
O=C(NC[C@H]1CCC2(CCCCC2)O1)NNC(=O)c1cn[nH]c1	858388929	LRHVZHVCHXUJDI-GFCCVEGCSA-N	321.381	1.236	50	20	DDGD	
Cc1nn(CC(F)F)cc1C(=O)NNC(=O)OC(C)(C)C	929190540	YORWGGBTUIQBIP-UHFFFAOYSA-N	304.297	1.626	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2cccc(OC3CC3)c2F)CC1	853338004	ZNEMOMVEYSMYHM-UHFFFAOYSA-N	320.368	1.658	50	20	DDGD	
CCc1c(C(=O)NC[C@]2(C)C[C@@H]2Br)cnn1C	857398567	OHOCIBCGGSSTHI-JQWIXIFHSA-N	300.200	1.886	50	20	DDGD	
CC(C)(C)OC(=O)[C@H](C(=O)NNc1nc[nH]n1)C1CCCC1	857261803	WWJMBTFQVBJCJQ-JTQLQIEISA-N	309.370	1.396	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C=NNC(=O)c1ccncc1	853255075	RGUNJPQMOJIDOE-DZGCQCFKSA-N	313.361	1.699	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NC[C@H]1CCCCO1	750327787	PIDKCDSQOKQVPJ-CQSZACIVSA-N	305.378	1.519	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cccc(C(F)(F)F)c1O	854927933	ULXQRENSRNFTFJ-UHFFFAOYSA-N	307.297	1.492	50	20	DDGD	
COc1cccc2cc(C(=O)NNC(=O)Cc3cc[nH]n3)oc12	755284896	GWPFBFDCPFVYOA-UHFFFAOYSA-N	314.301	1.168	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)C(=O)Nc2ccccn2)C12CCC2	758391262	YRCRZCJEIYJOKW-GFCCVEGCSA-N	316.361	1.471	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)c2cn(C)c3ccccc23)C1	858097468	NIXGGSVNDYJGLE-XYPYZODXSA-N	316.361	1.300	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CCCN(CCc2ccccc2)C1	854410449	ZZFYXXYJMPJIDD-OAHLLOKOSA-N	319.405	1.671	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)COc1ccccc1O)c1ccco1	859270980	ZINRJUSQZSVJGS-NSHDSACASA-N	318.329	1.705	50	20	DDGD	
CN(CC(=O)NNc1ncc(Cl)cn1)C(=O)OC(C)(C)C	857356567	PJSAEZZBWZLHLE-UHFFFAOYSA-N	315.761	1.440	50	20	DDGD	
O=C(C[C@@H]1CCC(=O)N1)NNc1cc(C(F)(F)F)ccn1	854678367	VYPQTHOVIMDNIY-QMMMGPOBSA-N	302.256	1.212	50	20	DDGD	
CSc1cccc(NC(=O)NNC(=O)c2c[nH]nc2C)c1	755342685	SOEGCEXMTSYAHM-UHFFFAOYSA-N	305.363	1.907	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)N[C@H]2CCOC2)c1C	752704426	NKDGVCOTKGKSSC-STQMWFEESA-N	321.377	1.190	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1nn[nH]c1-c1ccccc1	755700826	LBJNJGJMZYSDNB-UHFFFAOYSA-N	306.329	1.560	50	20	DDGD	
CCOC(=O)NNC(=O)C1CC(O)(c2cccc(Cl)c2)C1	858112477	OECISEHHOXSGND-UHFFFAOYSA-N	312.753	1.715	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccccc1OCC1CC1	751372606	VQAMVNQUOMZYSS-UHFFFAOYSA-N	303.362	1.829	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)COC1CCCCC1	854280275	PGQLDXMTPIKSDP-UHFFFAOYSA-N	317.455	1.210	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)C1	855833248	IKUVUWFKNXYIFG-NWDGAFQWSA-N	311.426	1.513	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNC(=O)NCCc2cccs2)c1	920860381	UBBYSVSPOVTZCT-UHFFFAOYSA-N	320.374	1.466	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H](C)N1C(=O)CCC1=O	751164584	BXMUWIRXVDKLKS-QMMMGPOBSA-N	322.273	1.046	50	20	DDGD	
C#Cc1ccc(C(=O)NNc2nc(O)c3ccccc3n2)cn1	758308070	UKXJWIUUYMVWBU-UHFFFAOYSA-N	305.297	1.469	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCn2cccc2)c1C	853832368	GAGHHSZLYIIRSR-UHFFFAOYSA-N	316.361	1.909	50	20	DDGD	
O=C1CC[C@H](C(=O)OC[C@H](CBr)C2CC2)CN1	859509664	YLZXMBRNCJUTHZ-UWVGGRQHSA-N	304.184	1.477	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)[nH]1	856730125	HPGFTOFOGJPYDZ-VIFPVBQESA-N	320.324	1.394	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccc3nc[nH]c3n2)o1	755196894	CDBDSNPFFFPZLA-UHFFFAOYSA-N	311.305	1.698	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@H]1Cc1ccccc1)c1cc[nH]n1	855356751	XMCLSAZLUSGLAZ-KBPBESRZSA-N	312.373	1.830	50	20	DDGD	
Cc1nn(C)cc1C1=NO[C@H](C(=O)NNc2cccc(F)c2)C1	935021199	RPDZGMXNWPVAMV-AWEZNQCLSA-N	317.324	1.504	50	20	DDGD	
CNC(=O)C1(C(=O)NC[C@@]2(C)C[C@H]2Br)CCC1	857399942	YEKVFKLVZBVNPA-LDYMZIIASA-N	303.200	1.192	50	20	DDGD	
CCOCCn1cc(C(=O)NNC(=O)c2ccccc2F)cn1	856729478	WEYONLMKWPHZML-UHFFFAOYSA-N	320.324	1.134	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cc(C)nnc2C)c1C	855625722	FXNNXSWEVQVKPI-UHFFFAOYSA-N	314.345	1.945	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H](CCO)C(F)(F)F	854616212	DUFJBYBZVSXMJW-OFFHKIPUSA-N	314.263	1.729	50	20	DDGD	
C[C@@]1(c2ccccc2)CCC(=NNC(=O)CS(C)(=O)=O)C1	863186798	MJAWAUDIFJHCCP-OAHLLOKOSA-N	308.403	1.645	50	20	DDGD	
Cc1ccc([C@H](C)NCc2ccc(B(O)O)cc2)cc1[N+](=O)[O-]	863888662	TUWQORZUSLHJHL-LBPRGKRZSA-N	314.150	1.434	50	20	DDGD	
CCOC(=O)[C@@H](Cc1ccc(F)cc1)NNC(=O)CC(C)C	863369322	WJKCAJRSOAMNFZ-CQSZACIVSA-N	310.369	1.967	50	20	DDGD	
C[C@@](NC(=O)NNC(=O)C1CCOCC1)(C1CC1)C(F)(F)F	933557915	CHMUNQIKQABQIB-GFCCVEGCSA-N	323.315	1.474	50	20	DDGD	
Cc1csc(CCC(=O)NNC(=S)N[C@H](C)C2CC2)n1	768232970	OTKWRGQMLSOZSL-SECBINFHSA-N	312.464	1.678	50	20	DDGD	
C[C@H](NNC(=O)Cc1cccc(OCC#N)c1)C(F)(F)F	862316232	NBICWJMJPWUGMU-VIFPVBQESA-N	301.268	1.703	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNc2ncnc3ccsc23)n1	866728718	BROGIMGMFCJEQY-SECBINFHSA-N	316.390	1.976	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1ccc(CN2CCCCC2)o1	935292159	FOHWFJJOUFQELR-UHFFFAOYSA-N	300.362	1.839	50	20	DDGD	
C[S@@](=O)Cc1ccccc1NC(=O)NNC(=O)c1ccc[nH]1	762923263	WZCPFMNQOAMPHI-JOCHJYFZSA-N	320.374	1.360	50	20	DDGD	
CSC[C@@H](CCO)NS(=O)(=O)CC(C)(C)CCl	866858137	AUJXKGMVTIGMLU-SECBINFHSA-N	303.877	1.285	50	20	DDGD	
CC(=O)N[C@H](CC(C)C)C(=O)NNCC(F)(F)C(F)(F)F	863103300	UBRRLUIQARZTSC-MRVPVSSYSA-N	319.274	1.356	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@H]1CCCC12OCCO2	863098388	GRHNUPKBZFFYOK-SSDOTTSWSA-N	318.242	1.348	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1ccc(-c2ccco2)s1	765329152	HZBHHGIUQMGWOF-UHFFFAOYSA-N	321.358	1.695	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1cccnc1Br	865213497	AWMVVOVRYGMZDC-JXMROGBWSA-N	311.135	1.941	50	20	DDGD	
O=C(CC(F)(F)F)NN=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	766012308	VXSZNAOPIZMLML-UHFFFAOYSA-N	320.183	1.906	50	20	DDGD	
C[C@@H](NNC(=O)C[C@H]1Oc2ccccc2NC1=O)C(F)(F)F	862304845	GBBNLUHSCJQOAU-GMSGAONNSA-N	317.267	1.348	50	20	DDGD	
Cn1c(NNC(=O)c2nccs2)nc2ccccc2c1=O	770485146	QAIZXMUJARUDFA-UHFFFAOYSA-N	301.331	1.147	50	20	DDGD	
O=C(COc1ccccc1Br)NN=C1CCOC1	872414978	XSNICUDQISPZGU-UHFFFAOYSA-N	313.151	1.720	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)NCCc2cccs2)co1	772424554	VQZFCBKKRPFHFG-UHFFFAOYSA-N	308.363	1.485	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCOc1ccc(F)c(Cl)c1	875632507	WURXVYXXKAYROA-UHFFFAOYSA-N	319.720	1.770	50	20	DDGD	
C=CCn1cc(C(=O)NNc2ccc(C(C)(C)C)nn2)nn1	1118285250	UHLMQHUHNUCGDU-UHFFFAOYSA-N	301.354	1.309	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1ccc2cc[nH]c2n1	779518249	CNSFHQYUTGNLBW-UHFFFAOYSA-N	324.340	1.541	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H]1CCN(c2ccccc2)C1	1117777781	DXAMYDZDVUMBQO-GFCCVEGCSA-N	306.435	1.417	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1nocc1C	877918394	RDACFQDOABXWQV-UHFFFAOYSA-N	303.318	1.385	50	20	DDGD	
Cc1c(Cl)cccc1C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	872388573	KGRJDGWWZFOMLF-HIFRSBDPSA-N	321.808	1.962	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)/C=C/c1cccs1	771892228	XMEMYOTUWAZOEG-MLRMMBSGSA-N	324.402	1.887	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1ccc(Cl)c(C)c1	880034341	ZSBLDZLPYZQRTI-UHFFFAOYSA-N	315.757	1.464	50	20	DDGD	
COC(=O)[C@@H]1C[C@H]2CC[C@H]1N(S(=O)(=O)CCCCl)C2	882250252	CBINWNZEHXOKGB-GMTAPVOTSA-N	309.815	1.219	50	20	DDGD	
Cc1ccc(F)cc1C=NNC(=O)CNC(=O)c1ccco1	777885842	CZVWBXTUJHOPSU-UHFFFAOYSA-N	303.293	1.607	50	20	DDGD	
COC(=O)[C@H](NS(=O)(=O)CCCCl)c1ccccc1F	881984485	NRJPEVNFIUHNNV-LLVKDONJSA-N	323.773	1.588	50	20	DDGD	
C[C@@H]1CCCN(C[C@@H](C)NC(=O)NNc2ccc(C#N)cn2)C1	887900893	XNNADDHYDTYSRC-CHWSQXEVSA-N	316.409	1.700	50	20	DDGD	
Cc1ccnc(N2CCN(S(=O)(=O)CCCCl)CC2)c1	881996735	GXQYXEVILAUCJG-UHFFFAOYSA-N	317.842	1.471	50	20	DDGD	
CCn1cccc(CNC(=O)NNc2c(F)cccc2F)c1=O	789298365	PFYJMBKHQRKNOX-UHFFFAOYSA-N	322.315	1.973	50	20	DDGD	
N#C[C@@H]1CCCN(C(=O)NNC(=O)CCOc2ccccc2)C1	1121937035	CXDWKEMFVFFEEH-ZDUSSCGKSA-N	316.361	1.432	50	20	DDGD	
O=C(Cc1cc(F)cc2c1OCOC2)NNc1ccnc(F)c1	781363445	QKUBROPHPVHPNR-UHFFFAOYSA-N	321.283	1.912	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(C(=O)OCC)cnc1C	887146856	NOFUBQOOMWMMMY-UHFFFAOYSA-N	317.345	1.131	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2	788228560	MUCOUUDMNSZHOD-DCAQKATOSA-N	309.391	1.213	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC(=O)c2ccccc21)c1ccncc1	785668587	FCWBDSZUWXWVFW-AWEZNQCLSA-N	309.325	1.603	50	20	DDGD	
CSC1(C(=O)NNc2nc3ccccc3c(=O)n2C)CCC1	787359580	PUQBNKACNGNHKO-UHFFFAOYSA-N	318.402	1.662	50	20	DDGD	
NCCSCc1cn(/C(Cl)=C/CBr)nn1	881310966	VCFIPQXIHZJCPH-UNXLUWIOSA-N	311.636	1.902	50	20	DDGD	
Cc1cccnc1C=NNC(=O)C1CCN(c2ncccn2)CC1	781593559	VWPMPPZBXMFNNU-UHFFFAOYSA-N	324.388	1.547	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)O[C@H](Cc1ccc(F)cc1)C(N)=O	786677591	IKWXXBBUMOKWAR-YRBHFNIASA-N	302.305	1.625	50	20	DDGD	
Cc1noc2ncc(S(=O)(=O)N3CC=C(C#N)CC3)cc12	780929390	ZBIORAGXZZGESI-UHFFFAOYSA-N	304.331	1.376	50	20	DDGD	
CCOc1ccc(C=O)c(OS(=O)(=O)CBr)c1	782398162	UAQZKTMTZCDMFZ-UHFFFAOYSA-N	323.164	1.959	50	20	DDGD	
C[C@H](OC(=O)/C(C#N)=C\c1ccccc1)C(=O)Nc1ncccn1	785351754	WEAFIIVISQWCJO-GVIGZQTCSA-N	322.324	1.954	50	20	DDGD	
C[C@@H]1CCc2[nH]nc(C(=O)NNC(=O)CC(F)(F)F)c2C1	895807318	QJSZNCYZDBTAHP-ZCFIWIBFSA-N	304.272	1.248	50	20	DDGD	
Cc1ccc2c(c1)C(=NNC(=O)c1ccc(O)c(O)c1)C(=O)N2	794558626	FYXIDNVBFLBGHQ-UHFFFAOYSA-N	311.297	1.492	50	20	DDGD	
COc1cccc(NNC(=O)[C@H]2[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)n1	793788966	JTVOMVFAAGEULG-RVVNHJJTSA-N	311.385	1.927	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1NCC(=O)NNC(=O)Cc1ccccc1C	794575992	QHMAJISRXSIXQA-ZBFHGGJFSA-N	317.433	1.853	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2cc(Cl)cc3c2OCC3)CC1	790173175	CKKZEEPKORVMNI-UHFFFAOYSA-N	322.796	1.566	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc([S@@](C)=O)cc2)n1	794074560	GEOHNROOEPQRCB-JOCHJYFZSA-N	317.370	1.202	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CCOCC(F)(F)C(F)F	790257716	SBMIJVPYTVDNTB-UHFFFAOYSA-N	302.268	1.487	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCCC[C@@H]1C[C@@H](C)O	790429545	FNEORRQZHQFNPW-HZSPNIEDSA-N	313.442	1.194	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)c2ccc3c(c2)OCO3)o1	794374766	NVDUQNVTVOMEQS-SNVBAGLBSA-N	316.313	1.881	50	20	DDGD	
CC(C)[C@@H](C#N)C=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1	1319611712	BFZHMUKPRBAKPP-XQLPTFJDSA-N	308.426	1.629	50	20	DDGD	
CC(C)c1ncc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)[nH]1	1318975988	ZOPDBLQKFFOGBW-UHFFFAOYSA-N	316.365	1.210	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1nnc(-c2ccncc2)s1	1319738985	DFFIXOIKSCNEKJ-NTMALXAHSA-N	301.331	1.983	50	20	DDGD	
COc1cccc2c1OCC(C(=O)NNC(=S)NC(C)C)=C2	1318279438	YBZABTISAJAYNM-UHFFFAOYSA-N	321.402	1.375	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)OC(C)C)cc1OCC(N)=O	1317704502	IRSFPFMVLZNUOO-SDQBBNPISA-N	318.329	1.418	50	20	DDGD	
CC(=NNC(=O)c1ccc(Br)cc1)c1cnnn1C	1324460088	RGJYSHFPTMJEGF-UHFFFAOYSA-N	322.166	1.732	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1cccc(Oc2ccccn2)c1	1320223038	QMSURVDVODVVBD-UHFFFAOYSA-N	316.317	1.409	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2cn(C(C)C)nn2)CC1	1327091025	MKQFJDORDNXGNL-UHFFFAOYSA-N	306.414	1.431	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccoc1Br	1320836998	AZZVXBIRKXBDMZ-UHFFFAOYSA-N	306.185	1.559	50	20	DDGD	
COC(=O)CN(C(=O)C1CCC(Cl)CC1)C1CCOCC1	1263755274	IWCGJVJNSWTVDG-UHFFFAOYSA-N	317.813	1.965	50	20	DDGD	
COc1cccc(NNC(=O)[C@]23CC[C@H](CC2=O)C3(C)C)n1	1346519830	LHYVHJKDCYRGHF-HWPZZCPQSA-N	303.362	1.929	50	20	DDGD	
C[C@H](OCc1ccncc1)C(=O)NNC(=S)N[C@@H](C)C1CC1	1348729633	CSRPUBVDJAYAAT-QWRGUYRKSA-N	322.434	1.281	50	20	DDGD	
O=C(Cc1ncccc1F)NNc1cccc(C(=O)O)c1F	1601376706	ZAOMKHIORNBJEJ-UHFFFAOYSA-N	307.256	1.744	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)[C@H]1CCc2cncn2C1	1602471139	CYIITPCWXSUOBD-JTQLQIEISA-N	300.318	1.287	50	20	DDGD	
CCn1cc(C(=O)NNc2cccc(F)c2C(=O)O)c(C)n1	1605917441	UGMLUTPRTNITCJ-UHFFFAOYSA-N	306.297	1.806	50	20	DDGD	
Cc1c(NNC(=O)CN2CCC(C)CC2)cccc1C(=O)O	1600052930	XJHCUHOPFRLWKZ-UHFFFAOYSA-N	305.378	1.868	50	20	DDGD	
CS[C@H](C)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1605366475	SVKYBFJVNDGKHX-ZCFIWIBFSA-N	311.371	1.173	50	20	DDGD	
C[C@@H](OC1CCCCC1)C(=O)NNc1ccc(C(=O)O)cn1	1609800810	URQJKSKNRWETQL-SNVBAGLBSA-N	307.350	1.961	50	20	DDGD	
O=C(O)C(=O)NN=Cc1csc(-c2ccc(Cl)cc2)n1	1601635452	FKGQAQCGBQNYJR-UHFFFAOYSA-N	309.734	1.998	50	20	DDGD	
O=C(O)C(=O)NNC(=S)Nc1ccc(Cl)cc1Cl	1608531154	SKKCNYZRSUGYGA-UHFFFAOYSA-N	308.146	1.396	50	20	DDGD	
COCCCOCCC(=O)NNc1cccc(C(=O)O)c1F	1606872232	JWYRQUGEPZRIBF-UHFFFAOYSA-N	314.313	1.410	50	20	DDGD	
O=C(NCc1ccccc1)NN=Cc1ccc(-c2nn[nH]n2)cc1	1606835991	QRQMZKIVTVBQQP-UHFFFAOYSA-N	321.344	1.700	50	20	DDGD	
Cn1cc(C(C)(C)C(=O)NNc2ccc(CC(=O)O)cc2)cn1	1608106607	ZFENUFJBZODQLI-UHFFFAOYSA-N	316.361	1.468	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)Cc1ccc(C(=O)O)nc1	1607790113	DOTZZHASPOKNTL-UHFFFAOYSA-N	303.293	1.913	50	20	DDGD	
CCC(COC)=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccnn1C	1549322635	ZXQSFDNRPMZZIX-OCCSQVGLSA-N	308.382	1.416	50	20	DDGD	
CCn1cc([C@H]2OCC[C@H]2C=NNC(=O)c2ccncc2)cn1	1552448171	QNYYABFUCIFENK-ZFWWWQNUSA-N	313.361	1.791	50	20	DDGD	
Cn1cc([C@H]2OCCC[C@H]2C=NNC(=O)c2cnccn2)cn1	1552445985	BUMNECXIMYVNJP-FZMZJTMJSA-N	314.349	1.094	50	20	DDGD	
Cc1ccsc1CCCC(=O)NNC(=O)[C@@H]1CCCNC1	1579815353	NYPCOFTXZSPDNG-GFCCVEGCSA-N	309.435	1.526	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H]2CCCCN2)c1	1574151882	DQLPQOAEAUDWDW-LBPRGKRZSA-N	306.435	1.763	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C23CC(C(=O)O)(C2)C3)ccc1C	1598949037	QCRRNYZAIKQCIG-UHFFFAOYSA-N	318.329	1.480	50	20	DDGD	
COc1ccccc1NCC(=O)NN=CCC(C)(C)C(=O)O	1599714058	MITRLHZTGSRAIF-UHFFFAOYSA-N	307.350	1.710	50	20	DDGD	
O=C(NNC(=O)[C@@]1(C(=O)O)C[C@H]2CC[C@H]1C2)c1ccccc1O	1594778929	DMKJDNKSVRPSBY-XQJJYNOISA-N	318.329	1.044	50	20	DDGD	
C[C@@H]1C[C@@H]2C[C@H]2C[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1590223197	ORISOTNFZJHKOG-SGESHTKJSA-N	312.377	1.992	50	20	DDGD	
COc1ccc(C(=O)NNc2cccc(C(=O)O)c2C)cn1	1599484608	ZXBICQHOIBSVKE-UHFFFAOYSA-N	301.302	1.854	50	20	DDGD	
O=Cc1cc(F)c(C(=O)NNc2ncccc2C(=O)O)cc1F	1595295272	ASEDIBYZWSNZKM-UHFFFAOYSA-N	321.239	1.627	50	20	DDGD	
O=C(O)CC1(C(=O)NNc2nc3ccccc3[nH]2)CCOCC1	1594976448	QRCTXCBXULYVLL-UHFFFAOYSA-N	318.333	1.278	50	20	DDGD	
CC1(C)OC[C@H]2C[C@@]21C(=O)NNc1ccc(CC(=O)O)cc1	1593976533	ILOSGBGLRVSULL-BZNIZROVSA-N	304.346	1.572	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(O[C@H](C)C(=O)O)c(F)c1	1594712435	LUPKBUTWCUEZDZ-SSDOTTSWSA-N	313.285	1.240	50	20	DDGD	
C/C=C\CNC(=O)/C(C#N)=C/c1cc(-c2nn[nH]n2)n(C)c1C	1590353376	GQXIBKCGGGYPBJ-HCRNJAACSA-N	311.349	1.113	50	20	DDGD	
O=C(NN=Cc1ccn(CCF)n1)Nc1ccc(C(=O)O)cc1	1776046383	NNDLCGIQIMLTDE-UHFFFAOYSA-N	319.296	1.706	50	20	DDGD	
CN1C[C@H]2C(=NNC(=O)c3cccc(C(=O)O)c3)CCC[C@H]2C1	1776096377	YCNJHVQWIMKKFN-UONOGXRCSA-N	315.373	1.832	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=Cc2cccn3ccnc23)c1	1776096024	HFRFRLHFSPHNGE-UHFFFAOYSA-N	308.297	1.796	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccccc1OC	13982374	HQQNHQPQBLWAEV-UHFFFAOYSA-N	300.314	1.779	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)oc1ccccc12	161157639	IBFDFSQZHUJOJN-UHFFFAOYSA-N	311.297	1.692	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@H]1[C@H]2CCO[C@@H]2C12CCCC2	162757781	KWSRBIBLISCHGK-WXHSDQCUSA-N	318.377	1.306	50	20	DDGD	
N#Cc1cccc(NNC(=O)C#Cc2ccc3c(c2)OCO3)c1	152694766	UUXVNMYGBVTGDY-UHFFFAOYSA-N	305.293	1.782	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1cccc(F)n1	153078757	FFNRDTKYDWLAKU-UHFFFAOYSA-N	303.293	1.320	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)Cc2ccncc2)CCCS1	153353247	OGEWYMOFXPFTHS-AWEZNQCLSA-N	308.407	1.240	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1coc2ccccc12	156147387	WIKRVLCATVXXBJ-UHFFFAOYSA-N	317.345	1.499	50	20	DDGD	
CC(C)CN1N=C(C(=O)NNc2ccc(F)cc2)CCC1=O	156783768	NJNSHBMFMLNRBL-UHFFFAOYSA-N	306.341	1.903	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(CCC(N)=O)c1cccc(C)c1	159261383	SXMGNYUNWOYIJW-QBFSEMIESA-N	301.346	1.647	50	20	DDGD	
CCC(=O)c1cccc(S(=O)(=O)NNC(=O)[C@@H](C)CC)c1	159911139	QELRQFSVMTZZFY-JTQLQIEISA-N	312.391	1.635	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CC=CCC2)c1	27147209	LJAZOWYNTCDNRW-LLVKDONJSA-N	322.386	1.207	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)CCOc1cccc(C)c1	109831654	NNYOOOUVQHHYBV-ZDUSSCGKSA-N	307.394	1.252	50	20	DDGD	
CCc1ccc(CCC(=O)NNC(=O)Cc2cc[nH]n2)cc1	106417535	DLQTZMKUBDVGHU-UHFFFAOYSA-N	300.362	1.295	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccc(C#N)cc2)cccc1[N+](=O)[O-]	61474733	HNXVPTMKGATYEQ-UHFFFAOYSA-N	324.296	1.850	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)CNc2ccccc2)cc1	73151532	MGUXVEDYOPIBPG-UHFFFAOYSA-N	313.357	1.958	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NNc2cnccn2)C1	114882390	QRJOKPYJYKRHSO-VXGBXAGGSA-N	305.382	1.204	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc3ccccc3o2)nn1	177736521	NAUDQFFSVFFCBP-UHFFFAOYSA-N	312.285	1.306	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cnn(C)c2)c(C)n1C(C)C	117820755	OEVCSAMPWDZBHA-UHFFFAOYSA-N	303.366	1.494	50	20	DDGD	
Cc1ccsc1C(=O)NNC(=O)COc1ccc(C#N)cc1	69096790	MBSDPZPAIYCAEH-UHFFFAOYSA-N	315.354	1.768	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCOC1)c1cc(-c2ccccc2)on1	171026622	HHNTXKWZJFKUHJ-GFCCVEGCSA-N	315.329	1.529	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCc1ccccn1	67452575	LUUMGHKZVAGSQV-UHFFFAOYSA-N	300.318	1.234	50	20	DDGD	
CC[C@H](C)OCC(=O)NNc1nnc(-c2ccccn2)s1	188219806	YJJBRMIFBODJHU-VIFPVBQESA-N	307.379	1.858	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc3c(c2)CCC(=O)N3)n1	180679927	PJBQWSDZQTVQMI-UHFFFAOYSA-N	312.329	1.732	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cc(-c2ccccc2)on1	129178138	IKOSWRRJODWBFU-UHFFFAOYSA-N	322.324	1.740	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1csnc1C	183097555	PRALRCQNAJCQAK-UHFFFAOYSA-N	320.374	1.333	50	20	DDGD	
O=C(NNc1cccnn1)c1ccn(-c2ccc(F)cc2F)n1	185195196	GJIIEQJLZLEQCB-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)NNc1ccccc1	38820484	JFFVFVZAYXEKIM-NSHDSACASA-N	323.349	1.498	50	20	DDGD	
COc1cc(C)sc1C(=O)NNC(=O)c1ccccc1O	73067183	XQCIEFSJZULMIV-UHFFFAOYSA-N	306.343	1.846	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C(C)(C)C)cc([N+](=O)[O-])c1C	188779378	MPGDRAQASCPNDW-UHFFFAOYSA-N	309.322	1.719	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1	187456621	JWLGCMUGPZDUQR-LSDHHAIUSA-N	319.405	1.765	50	20	DDGD	
Cc1nn(C(C)(C)C)cc1C(=O)NNC(=O)NCC(F)(F)F	184182939	XEVNRCAZEPQRLP-UHFFFAOYSA-N	321.303	1.453	50	20	DDGD	
C[C@H](OCC1CC1)C(=O)NNc1nc(-c2ccccc2)no1	76461411	PCMCUFLGEDSPGK-JTQLQIEISA-N	302.334	1.995	50	20	DDGD	
CCc1ncc(NC(=O)NNC(=O)c2c[nH]c3ccccc23)cn1	183324443	GSYRKFTWJRJFGF-UHFFFAOYSA-N	324.344	1.987	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)c1cccn1C	78275310	MMNBDMILASWAEG-YGRLFVJLSA-N	315.329	1.015	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNC(=O)CCc1ccccc1O	189702028	LBGUOTNDMYAMBS-UHFFFAOYSA-N	301.346	1.433	50	20	DDGD	
Cc1cccc(NNC(=O)CCn2nnc3ccccc3c2=O)c1	72987878	KOAQHCUPBOOSNN-UHFFFAOYSA-N	323.356	1.633	50	20	DDGD	
CCC(CC)NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	42955857	FFILTCDSQYOZIK-ZDUSSCGKSA-N	307.350	1.345	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNc2ccc(C#N)c(Cl)c2)C1	182411550	QRCFZAMHUPIART-LLVKDONJSA-N	320.780	1.913	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C\c1ccc(C)c([N+](=O)[O-])c1	192567355	UYCACCSCTPTYNS-RYPVXOHGSA-N	303.318	1.961	50	20	DDGD	
O=C(NNc1ccc(-n2cccn2)nn1)Nc1cccc(F)c1	131687147	JHOBNRAVMSDOQD-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@H]1CCc2cn[nH]c2C1	134006734	DYMUBLSZYYHUTO-VIFPVBQESA-N	301.306	1.566	50	20	DDGD	
Cc1cc2ccccc2n1CC(=O)NNC(=O)N1CCOCC1	194902332	COWHYCRMVFEJOQ-UHFFFAOYSA-N	316.361	1.023	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCNC(=O)c2ccsc2)o1	84284129	WNXPFFIVXMKNSJ-UHFFFAOYSA-N	321.358	1.231	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C(C)C)N2CCCCC2)o1	84373800	LQEBOQFAKSVZCR-AWEZNQCLSA-N	307.394	1.860	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1c(O)cccc1O	92121522	SMUDQPXRCXOSJB-UHFFFAOYSA-N	304.277	1.241	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)/C=C\c2ccc(Cl)cc2)[nH]n1	255311124	WRNXNODNWAQDLM-DAXSKMNVSA-N	304.737	1.846	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)Cc2ccco2)cc1OC	268696392	CGHMPPKPQLLXEU-UHFFFAOYSA-N	318.329	1.691	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)C2CCC2)c(C)c1C	265281396	JSCPSHDPAKKUMW-UHFFFAOYSA-N	312.391	1.422	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)C1CCC1)N(C)Cc1ccccc1	264825657	IFFLBCGDOJWONY-ZDUSSCGKSA-N	318.421	1.637	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N(C)Cc2ccon2)cc(C#N)n1C	265808309	LILSQABNCAXMEM-AWNIVKPZSA-N	309.329	1.759	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H](C)CC(=O)c1ccccc1F	266562365	VSZNQTXXOZHVDY-JTQLQIEISA-N	323.393	1.716	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNC(=O)c1ccc(CC)cc1	269715480	SCOINAGRBVSRPI-UHFFFAOYSA-N	321.377	1.536	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1cc(F)ccc1OC(F)F	273213190	NSJXPXZGILZZGP-UHFFFAOYSA-N	303.240	1.990	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cncc(-c3cnn(C)c3)c2)n1	362846177	DVCVOADZKRWSKS-UHFFFAOYSA-N	323.360	1.646	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2nnc(C3CC3)s2)cc1	273840791	GVYDLHMOQUEYNT-UHFFFAOYSA-N	317.374	1.806	50	20	DDGD	
Cc1ccnc(NNC(=O)C(C)(C)NC(=O)C(F)(F)F)c1	277398734	YEWIYFCWQTYKQA-UHFFFAOYSA-N	304.272	1.290	50	20	DDGD	
O=C(NNc1ccc(-n2cccn2)nn1)NC1CC(F)(F)C1	277134978	SWPQJESJCJCDIL-UHFFFAOYSA-N	309.280	1.086	50	20	DDGD	
COCCCn1ccc(NC(=O)NNC(=O)CC2CCCC2)n1	273561318	IDCMLUCQZBPYMR-UHFFFAOYSA-N	323.397	1.653	50	20	DDGD	
CCc1nn(C)cc1NC(=O)NNC(=O)Cc1ccccc1F	273437182	VSBLZFWQQXNZPW-UHFFFAOYSA-N	319.340	1.517	50	20	DDGD	
COc1ccc(C(C)=O)c(OS(=O)(=O)CBr)c1	271358536	IJNBEHFMLZYCQC-UHFFFAOYSA-N	323.164	1.959	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2[C@H](C)[C@@H](OC)C2(C)C)n1	271840324	FYGADZNTZPQWOV-JMJZKYOTSA-N	309.370	1.171	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](C)c1ccccc1	278625707	MUJMNMCMBMBROH-LBPRGKRZSA-N	308.378	1.727	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H]1CCn2c(cnc2C)C1	289659453	XVFNMQVOTFQEPU-ZDUSSCGKSA-N	312.373	1.524	50	20	DDGD	
C=CC[C@H](CC)NC(=O)NNC(=O)COc1ccccc1OC	281297328	IXRVNLFKWOEAMI-LBPRGKRZSA-N	321.377	1.759	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CC([C@H]3CCOC3)C2)cc(C#N)n1C	373418438	QOZCJECCQNYADV-LAFZPEOGSA-N	324.384	1.607	50	20	DDGD	
CO[C@@H]1CCN(C(=O)NNC(=O)c2ccc(C)s2)[C@H](C)C1	281592617	FQHYAQCTCRVGOO-MWLCHTKSSA-N	311.407	1.910	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)C(C)(C)c2ccccc2)C1	286689638	NFNVAPKPWHQZDC-UHFFFAOYSA-N	304.390	1.927	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2C(C)(C)C2(C)C)cc1	282353668	BLAKEYHBENYSLZ-UHFFFAOYSA-N	317.389	1.763	50	20	DDGD	
CCOC1(C(=O)NNC(=O)Cc2ccc(F)cc2)CCCC1	284262037	LYGMFJYBBYVAAL-UHFFFAOYSA-N	308.353	1.865	50	20	DDGD	
COC(=O)N(C)NC(=O)/C=C/c1cc(OC)c(OC)cc1OC	285776461	AOTYBFJYQVLMAI-VOTSOKGWSA-N	324.333	1.455	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)CC1	283635707	BZHSCSYDASIULE-UHFFFAOYSA-N	313.304	1.934	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)CC(F)(F)F)c1F	803168247	UCXZMXWVDNDGLH-UHFFFAOYSA-N	322.258	1.867	50	20	DDGD	
C[C@H](NCC(=O)NNC(=O)c1ccccc1)c1ccsc1	801570253	KSZMQUDNLPVJKM-NSHDSACASA-N	303.387	1.860	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2cccc(F)n2)c(F)c1	807391297	LQJSLZAAXYQCQY-UHFFFAOYSA-N	317.255	1.313	50	20	DDGD	
O=C(NNc1cccc2cnccc12)[C@@H]1OC[C@@H]2COCC[C@@H]21	291355140	SQOQDBPJIMYVEE-DUVNUKRYSA-N	313.357	1.729	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CC1CC1)c1ccc([N+](=O)[O-])cc1	294285433	VVLMYFAXRAORIN-UHFFFAOYSA-N	305.334	1.820	50	20	DDGD	
O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12)NNc1ncncc1F	292935735	FPNXYQGESOPAGW-OUCADQQQSA-N	313.336	1.828	50	20	DDGD	
COC(=O)c1ccc(/C=C/C(=O)NNC(=O)CC2CC2)cc1	294296313	WPCSUUYQKXCNPV-RMKNXTFCSA-N	302.330	1.434	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)N[C@H]2CC2(C)C)cc1	299170236	JCEZIWLYWHEDON-ZDUSSCGKSA-N	305.378	1.757	50	20	DDGD	
N#Cc1ccc(CNC(=O)NNc2ncncc2Cl)nc1	808306206	QEXKBXKGZQXICP-UHFFFAOYSA-N	303.713	1.223	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2cc3cccc(F)c3o2)CC1	807383323	UUBNKVPWEWCZCF-UHFFFAOYSA-N	320.324	1.174	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c(C)n1	292675282	JHKYFUXAXURNEM-KWQFWETISA-N	308.338	1.119	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(N2CCOCC2)cc1	299408446	PGFPPJZSULKYHD-UHFFFAOYSA-N	305.378	1.330	50	20	DDGD	
CC(C)C[C@@H](CN1CCCC1)NC(=O)NNc1ccncn1	296945787	QWWWMUDPIDGDFU-ZDUSSCGKSA-N	306.414	1.613	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Nc2cc3n(n2)CCCC3)c1	806719349	GBVNBGYPRADDOU-UHFFFAOYSA-N	324.344	1.558	50	20	DDGD	
C=C(CBr)CN1CCc2c(nnn2CCOC)C1	293398297	XUKBRALZCBCLAO-UHFFFAOYSA-N	315.215	1.234	50	20	DDGD	
Cn1nnc2c(C(=O)NNc3c(F)cccc3Cl)ccnc21	800942135	JFTQAFUCIUVLQF-UHFFFAOYSA-N	320.715	1.913	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)c2csnn2)cc1	802117615	WJLHCDINKADQPE-UHFFFAOYSA-N	306.351	1.071	50	20	DDGD	
Cc1nnsc1CNC(=O)NNC(=O)CCc1ccccc1	813849695	OJHGYNUJKFBHLS-UHFFFAOYSA-N	319.390	1.310	50	20	DDGD	
O=C(NCC(F)(F)F)NN=C1CCO[C@@H](C(F)(F)F)C1	814812065	FYZBFCZZMRCPIL-ZCFIWIBFSA-N	307.194	1.945	50	20	DDGD	
CN(CC(=O)NNC(=O)C(C)(C)C)Cc1c(F)cccc1F	815169384	BNUDRWPEXTVSES-UHFFFAOYSA-N	313.348	1.590	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1C#N)c1csnn1	814743501	IPMITISQPPRGMT-UHFFFAOYSA-N	301.331	1.329	50	20	DDGD	
O=C(NCCc1ccc([N+](=O)[O-])cc1)NNc1ncncc1F	814284390	FNHFPGNLPXZNHE-UHFFFAOYSA-N	320.284	1.393	50	20	DDGD	
CCOC1CC(=NNC(=O)CSc2nc(C)cc(C)n2)C1	814708407	GJPUSEITMVFHLP-UHFFFAOYSA-N	308.407	1.857	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCc2nn[nH]c21)c1ccc(Cl)cc1	816818792	LSCDCCMOHLEUQO-JTQLQIEISA-N	319.752	1.339	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)CC1(F)F	817513123	LTVRMHPLSUDICL-CQSZACIVSA-N	307.300	1.903	50	20	DDGD	
CCC1(CC)C(=O)NCCC1=NNC(=O)Cn1nc(C)cc1C	819804394	CLKPBOBHEUMWQF-UHFFFAOYSA-N	319.409	1.298	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNc1cccc(S(C)(=O)=O)c1	812543229	GDAHEXODDXGIDN-GHMZBOCLSA-N	314.407	1.452	50	20	DDGD	
COCCN(C)NC(=O)CCc1c(C)nc2cc(C)nn2c1C	816560759	ZQSOQSHFVWBLFY-UHFFFAOYSA-N	319.409	1.197	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1cnn2c1OCCC2	816527919	FJUWGKLCXLEMGZ-UHFFFAOYSA-N	321.268	1.470	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)CNc1ccccc1OC	812456181	RHTHHKYWKJSSNQ-VXGBXAGGSA-N	323.393	1.173	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=Cc2cnn(C)c2Cl)c1	814738282	WYPSUIFGPKOZOC-UHFFFAOYSA-N	322.752	1.855	50	20	DDGD	
CSCCCC=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1	814766974	UYBMFYUOBLREFJ-MELADBBJSA-N	315.483	1.977	50	20	DDGD	
Cc1ccccc1S(=O)(=O)NNC(=O)c1ccccc1F	727351066	ZNWQQJQDOUSWHH-UHFFFAOYSA-N	308.334	1.757	50	20	DDGD	
O=C(NN=Cc1cc(-c2nn[nH]n2)cs1)NC1CCCCC1	823273497	POPNYGZYXHXIMT-UHFFFAOYSA-N	319.394	1.894	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@H](C)C[C@H]1c1ccco1	827948574	HQHAJJMFAMGDDV-STQMWFEESA-N	307.394	1.856	50	20	DDGD	
CN1CCN(C(=O)/C(C#N)=C/c2cnn(C)c2)Cc2ccccc21	491128750	FDGYPELDPLTPNI-CXUHLZMHSA-N	321.384	1.806	50	20	DDGD	
CC(=O)NNC(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2	495993602	QMTNWXDQCUPCAC-LLVKDONJSA-N	311.382	1.191	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H]1CCc2n[nH]cc2C1	490974220	MVFLUKMSFOVVFV-VDBIKXPHSA-N	308.341	1.696	50	20	DDGD	
Cc1sc(C(=O)O)cc1S(=O)(=O)NNC(=O)C(C)(C)C	729666319	QXRXXZDNWNXGEY-UHFFFAOYSA-N	320.392	1.110	50	20	DDGD	
COC(=O)N(C)NC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O	495625833	MXBLFKDVEFPVHD-AWEZNQCLSA-N	317.345	1.680	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	490968074	AWZCNAUXORKLFD-KHPPLWFESA-N	317.349	1.349	50	20	DDGD	
COc1cccc(NNC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)n1	497098314	KXEKKHXSPVOQAK-JTQLQIEISA-N	324.381	1.789	50	20	DDGD	
O=C(NNc1ccccc1)c1cccc(CN2C(=O)CNC2=O)c1	825135098	GYRPAMPZFZNFSN-UHFFFAOYSA-N	324.340	1.495	50	20	DDGD	
O=c1[nH]c(CCCI)nc2csnc12	905032061	UQFINKKLVIOCFN-UHFFFAOYSA-N	321.143	1.747	50	20	DDGD	
Cc1cc(OCC(=O)NN(C)[C@H](C)CO)cc(C)c1Cl	823947283	VULVMHPSOATVKX-LLVKDONJSA-N	300.786	1.679	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)CSC(C)C)c1	728205688	APRVUILVOFOGPN-UHFFFAOYSA-N	311.407	1.396	50	20	DDGD	
CC[C@@H]1CN(C(=O)NNC(=O)c2cccc(C#N)c2)CCO1	728953031	ADMODVQDAJTZSV-CYBMUJFWSA-N	302.334	1.023	50	20	DDGD	
C[C@H](CCc1cccn1C)NC(=O)/C(C#N)=C/c1cnn(C)c1	491051795	UEJRETPIIQFNLB-GULXKOIASA-N	311.389	1.803	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)C1(C(=O)NC2CC2)CCC1	729529998	RSFFIVNKXBEOJO-UHFFFAOYSA-N	307.394	1.163	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)COc1ccc(OC)cc1	491542986	DSEAKNHHXCVJON-UHFFFAOYSA-N	312.329	1.054	50	20	DDGD	
CC1(C)CN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccs1	584990109	ORBRHBHYKYRGIU-CQSZACIVSA-N	315.203	1.651	50	20	DDGD	
CCn1nc(C)c(CNC(=O)NNC(=O)CC(F)(F)F)c1C	727604632	AZMRHUMTSQJSIE-UHFFFAOYSA-N	321.303	1.303	50	20	DDGD	
Cc1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c(O)c1	826281704	GMVAZMWXXMATJX-UHFFFAOYSA-N	310.317	1.638	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1cc(C)c(F)cc1Cl	495892651	CFYJHYRDACKRPW-UHFFFAOYSA-N	303.677	1.113	50	20	DDGD	
C=CC[C@H](CC(F)(F)F)NC(=O)c1cc(B(O)O)ccc1F	585001595	YCYALYYNGYTAHE-SECBINFHSA-N	319.063	1.132	50	20	DDGD	
Cc1cc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)c(=O)n(C)c1	491084990	PKXPOCBNXRFKNK-MDWZMJQESA-N	309.325	1.945	50	20	DDGD	
CCOCCONC(=O)NN=c1sc2ccccc2n1C	588505908	GAAKGOVIPJFYPP-UHFFFAOYSA-N	310.379	1.323	50	20	DDGD	
CCC[C@H](CC)NC(=O)NNC(=O)CNC(=O)OC(C)(C)C	494454884	QKUAELLFVSNHJH-JTQLQIEISA-N	316.402	1.420	50	20	DDGD	
OB(O)[C@H]1CCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)C1	585077774	YCKGCBKZBBFCJQ-HOCLYGCPSA-N	305.183	1.293	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@H]2COCCO2)cc1	490610061	GRUQPHCENMKUIZ-IDJPSDCMSA-N	316.357	1.524	50	20	DDGD	
CC(C)CN1CCC(NC(=O)NNc2ccc(F)cn2)CC1	731359959	VDDRROBTQRPGIQ-UHFFFAOYSA-N	309.389	1.967	50	20	DDGD	
CN(NC(=O)CCOC1CCOCC1)C(=O)OC(C)(C)C	495978857	KYRXFXDFTJYDFC-UHFFFAOYSA-N	302.371	1.470	50	20	DDGD	
CCC[C@@H](NCc1cccc(B(O)O)c1)[C@@H](O)c1ccccc1	585039008	NIYROHQSCDQFON-MSOLQXFVSA-N	313.206	1.358	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(CCCNC(=O)NNC(=O)C2CCC2)C1	732240852	NJDNCKRGCPOGAF-BETUJISGSA-N	310.442	1.485	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2C[C@H]3c4ccccc4CC[C@H]23)c1	585049433	GQUDRPKSFUVJTQ-GBESFXJTSA-N	307.202	1.575	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)Nc1ccccc1	730818473	LUNSXNAZPQHGCI-UHFFFAOYSA-N	301.302	1.624	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NN(C)[C@@H](C)CO	823917997	PPXZHJZHSMBYJI-NWDGAFQWSA-N	317.430	1.366	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21	905568795	NXLUZKBXPBAKCJ-OASPWFOLSA-N	322.748	1.335	50	20	DDGD	
CCc1ccccc1C(=O)NNC(=O)CNC(=O)OC(C)(C)C	494452902	LNWBISINJIDPNT-UHFFFAOYSA-N	321.377	1.535	50	20	DDGD	
CCCc1noc2nc(CC)cc(C(=O)NNC(=O)OC)c12	497181876	VKFKHVSQMSNKOY-UHFFFAOYSA-N	306.322	1.739	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21	905568796	NXLUZKBXPBAKCJ-TVYUQYBPSA-N	322.748	1.335	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NNc2ccccn2)cc(C#N)n1C	490813460	PLNRYFBCDNJIFB-NTUHNPAUSA-N	306.329	1.650	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@H](Cc1ccc(F)cc1)C(=O)OC	905013021	OUDKNOHMRJQONP-IEZBTEQYSA-N	320.320	1.470	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C1C[C@@H](C)n2ccnc21	834923075	WXOCDLCVOPXYMH-LLVKDONJSA-N	314.345	1.756	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)[C@@H]1CCCCO1)OC	836469336	FDLKMJOZOPHQLX-NSHDSACASA-N	301.387	1.091	50	20	DDGD	
CC(C)COc1cccc(CNCc2ccccc2B(O)O)c1	585020048	VOJDYJABAHVZJE-UHFFFAOYSA-N	313.206	1.691	50	20	DDGD	
C#CCCCC(=O)NN=C(C)c1ccc(S(=O)(=O)NC)cc1	901320403	BWRJVDJZEGNLTD-UHFFFAOYSA-N	321.402	1.238	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cn(Cc2ccccc2)nn1	901257766	CIMFTJUNFQEYQK-SWLSCSKDSA-N	313.361	1.202	50	20	DDGD	
COCc1c(C(=O)N2CC[C@@H](B(O)O)C2)oc2ccccc12	585074219	KHMIELPPESAMAV-SNVBAGLBSA-N	303.123	1.268	50	20	DDGD	
CC(C)(C(=O)O)c1ccc(NC(=O)NNc2cnccn2)cc1	833419630	ROYZIURTWJWRAQ-UHFFFAOYSA-N	315.333	1.987	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNC(=O)CCc1ccccc1O	839662861	LKZLWWPHFRILKS-LBPRGKRZSA-N	322.361	1.062	50	20	DDGD	
COC(=O)CCCC(=O)NNc1ccc(F)c(C(=O)OC)c1	839789310	TUJGPTMISCCFEQ-UHFFFAOYSA-N	312.297	1.399	50	20	DDGD	
CCC[C@H](C(=O)NNc1cc(C)ccc1F)S(N)(=O)=O	830821485	VCHTUCDFNGQDKS-LLVKDONJSA-N	303.359	1.034	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1cccc(F)c1F	730727510	WATCVRUWXOCUPW-LLVKDONJSA-N	311.332	1.383	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1cccc(OC(F)(F)F)c1	833385394	XPHYYFWQVSQKRR-UHFFFAOYSA-N	319.239	1.693	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H](C)Oc1ccccn1	830609429	HECHNMGRCBJWEI-LLVKDONJSA-N	301.350	1.906	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNc1cccc(Br)n1	838485705	LXDMMRVHYNUZJT-QMMMGPOBSA-N	317.187	1.895	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CC2(CCCC2)c2ccccc21	584960465	KZZBATKUIDTCNO-UHFFFAOYSA-N	321.185	1.839	50	20	DDGD	
CC[C@H](C(=O)NNc1cccc(Br)n1)N(C)C	837212993	YPFQKZJRBNMEBD-MRVPVSSYSA-N	301.188	1.627	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@H](C(C)C)N(C)C)c1	730271637	VNRPZGPJJKZUAC-AWEZNQCLSA-N	323.393	1.051	50	20	DDGD	
COc1cc(OC)c(C(=O)NNc2cc(C)ncn2)cc1OC	734255741	YYAMIYNKNMPZBA-UHFFFAOYSA-N	318.333	1.568	50	20	DDGD	
CO[C@@H](c1ccccc1F)[C@H](C)NCc1cccc(B(O)O)c1	585033045	VWPXECBBOVCVTG-YVEFUNNKSA-N	317.169	1.371	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1ccc(F)c(F)c1	916361768	FQNOIYYYJQNLCW-NSHDSACASA-N	311.332	1.383	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)C#CC(C)C	831418280	LJKFAEGGUSGVRH-UHFFFAOYSA-N	306.387	1.594	50	20	DDGD	
C#CCOc1ccc(NC(=O)NNC(=O)[C@H]2CCCCO2)cc1	836384146	MVCGAJRAWZVGKO-CQSZACIVSA-N	317.345	1.420	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(CN2CCCCC2)cc1	910149638	HSBDMYJSXDRQCE-CQSZACIVSA-N	305.422	1.630	50	20	DDGD	
C=CCONC(=O)NNC(=O)c1ccc(OCC)c(OC)c1	838702589	TYJSVOOVXYUFHG-UHFFFAOYSA-N	309.322	1.156	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1ccc2n[nH]cc2c1	746601228	HYNMYXXQCQFFOJ-UHFFFAOYSA-N	312.304	1.706	50	20	DDGD	
NC(=O)NN=Cc1cn(Cc2ccccc2)nc1-c1cccnc1	916247892	QVUJOAKQRSOIEA-UHFFFAOYSA-N	320.356	1.996	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CSc2nccs2)cc1	747171934	XLOFVNRHRKJMPM-UHFFFAOYSA-N	318.383	1.568	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@H]1CCc2cncn2C1	844140654	UDJMGNWDDCZTDI-VIFPVBQESA-N	319.296	1.636	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1ccc2c(c1)OCO2	748256901	FWMWHFSWOFFJMK-NSHDSACASA-N	308.334	1.307	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNC(=O)N(C)C)ccc1[N+](=O)[O-]	840300033	YRLOLPKGHJCURJ-UHFFFAOYSA-N	310.310	1.298	50	20	DDGD	
CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)NNC(=O)CC(F)(F)F	741427119	WSNYXHHTINSXTE-ZQARSLAVSA-N	309.288	1.083	50	20	DDGD	
CC[C@@H]1CN(CC(=O)NNC(=O)c2cccs2)[C@@H](C)CO1	844390863	LAEVIXLGNWZWDZ-WDEREUQCSA-N	311.407	1.008	50	20	DDGD	
CC(C)NC(=O)NNS(=O)(=O)c1ccc2ncccc2c1	741654163	WBYMCZOHLQTYJX-UHFFFAOYSA-N	308.363	1.136	50	20	DDGD	
NCC1(O)CCN(Cc2ccc(OCCCCl)cc2)CC1	841108345	WLBUZALYQRXBMZ-UHFFFAOYSA-N	312.841	1.980	50	20	DDGD	
C[C@H](CN)CNS(=O)(=O)c1ccc(CCCCl)cc1	842784980	JKONQVWSRNQELO-LLVKDONJSA-N	304.843	1.731	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CCn2cccc2)cc1	846373825	FWCCJADKYWESEW-UHFFFAOYSA-N	301.346	1.737	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=C1CCCn2ccnc21	848408424	MXWBFFIYENMFMZ-UHFFFAOYSA-N	307.354	1.022	50	20	DDGD	
CCOCCCNC(=S)NNC(=O)NC1CCCCC1	916113281	BJRQSVKCDREFGH-UHFFFAOYSA-N	302.444	1.424	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@@H]1COc2ccccc2C1	918077382	YGZVCCUFZNFVNF-VIFPVBQESA-N	317.267	1.273	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@@H]1COc2ccccc2O1	748005638	CMLFFVBQEZWDTJ-AWEZNQCLSA-N	315.285	1.878	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@@H]1CC12CCCC2	747512157	LENUCQQMIHBJOR-LBPRGKRZSA-N	317.389	1.835	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc2c(s1)CCOC2	843649030	SYXOOGQBMWIXCV-WPRPVWTQSA-N	310.375	1.007	50	20	DDGD	
NC(=O)C1(C(=O)NNc2cccc(Br)c2)CCC1	748031905	AUPHAVOKPVQREU-UHFFFAOYSA-N	312.167	1.548	50	20	DDGD	
CC[C@H](C#N)C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	845087367	IHTKNKPMCPQDSC-CHWSQXEVSA-N	303.362	1.768	50	20	DDGD	
N#CCSc1ccccc1C(=O)NNC(=O)c1ccc[nH]1	747663638	PDFRPDRHAISDKL-UHFFFAOYSA-N	300.343	1.705	50	20	DDGD	
Cc1nc([C@@H](C)OC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)n[nH]1	840195808	DPJZJAIZHIDGNL-YNHMVAKQSA-N	324.344	1.843	50	20	DDGD	
C[C@@H](CCCN)NC(=O)NNC(=O)C(C)(C)c1ccccc1	841999557	LPSBQOBQUHWKCU-LBPRGKRZSA-N	306.410	1.422	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@H](O)c1ccccc1)c1ccccc1	746239743	QMIJQOKDMFBZDM-HNNXBMFYSA-N	312.369	1.845	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNC(=O)[C@H]2CCO[C@H]2C)C1(C)C	843970815	LLJPQVQGISYQBA-RNJOBUHISA-N	310.394	1.200	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1cc(-c2ccncc2)on1	743471001	MRXGMSPMXNOGOA-UHFFFAOYSA-N	322.288	1.160	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)c1ccc[nH]1)CC(F)(F)F	840433932	WBYMPCCVBSRVNB-QMMMGPOBSA-N	306.288	1.937	50	20	DDGD	
CC(C)Cn1nccc1C(=O)NNc1ccnc(N(C)C)n1	844133845	FIGCYVCSZOVUKU-UHFFFAOYSA-N	303.370	1.152	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cc(F)c(O)c(F)c1	749861131	FNAGVTAXHZTUBY-QMMMGPOBSA-N	302.277	1.172	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC[C@@H]2CCCCN2)c(F)c1	841922617	PTENGEVSJCPWSS-NSHDSACASA-N	324.356	1.381	50	20	DDGD	
NC[C@H](NC(=O)NNC(=O)CC(F)(F)F)C1CCCCC1	841938888	CBIHWMXIDKWEJE-VIFPVBQESA-N	310.320	1.177	50	20	DDGD	
CCN1CC[C@H](OC(=O)/C(C#N)=C/c2cccc(OC)c2)C1=O	849657929	JIEQUHRYFQOOGO-GLNPCMGASA-N	314.341	1.766	50	20	DDGD	
COc1ccc(NNC(=O)NCc2ccc(C)c(C)n2)nc1	841589490	HJRDMODORIXVGY-UHFFFAOYSA-N	301.350	1.928	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1csc2cncn12	855091220	GXCJVIZZFHOWHQ-UHFFFAOYSA-N	309.420	1.305	50	20	DDGD	
CCc1nc(CNC(=O)NC[C@@]2(C)C[C@@H]2Br)n[nH]1	856907933	IHPACKOPFLSNDF-WRWORJQWSA-N	316.203	1.340	50	20	DDGD	
CCn1ccnc1C(=O)NNc1cccc(C(=O)OC)c1C	855625632	YMUNUGZUTYLVBL-UHFFFAOYSA-N	302.334	1.755	50	20	DDGD	
C[C@H]1C(=O)CC[C@H](C(=O)NNC(=O)c2cccc(F)n2)C1(C)C	856426646	CUSFGHIARZLNNJ-VHSXEESVSA-N	321.352	1.623	50	20	DDGD	
C[C@@H](O)c1ncc(C(=O)NNc2ncc(F)cc2F)s1	857533674	IAHBFIDKAPZTGH-RXMQYKEDSA-N	300.290	1.627	50	20	DDGD	
COc1cc(C(=O)NC[C@]2(C)C[C@H]2Br)nn1C	857390336	DOHUTRXGIWBIMQ-KCJUWKMLSA-N	302.172	1.332	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(-n3cccc3)nc2)n1	753321247	YZURVVNUSXVCTD-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
C[C@]1(CNC(=O)C[C@@H]2CCCC(=O)N2)C[C@@H]1Br	857388451	SKNXRCGSGARTEW-HOTUBEGUSA-N	303.200	1.335	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNc2cnnn2C)ccc1[N+](=O)[O-]	857270950	UVBNYQUWJAKUHD-UHFFFAOYSA-N	320.309	1.267	50	20	DDGD	
N#Cc1ccc(NNC(=O)Cn2ccccc2=O)cc1Cl	753323010	UFCWWGFLVNERPK-UHFFFAOYSA-N	302.721	1.517	50	20	DDGD	
C[C@@H](NC(=O)C1CCCC1)C(=O)NNc1ncccc1[N+](=O)[O-]	759293686	BXIFUKLVBYWGCZ-SECBINFHSA-N	321.337	1.128	50	20	DDGD	
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NNc1ncc(Cl)cn1	856878716	ZGUMGVBLFBZPDT-KCJUWKMLSA-N	310.789	1.239	50	20	DDGD	
Cc1ccc(NNC(=O)CSc2nnnn2C2CC2)cc1F	856231179	RMOYWJKUUNPXCZ-UHFFFAOYSA-N	322.369	1.691	50	20	DDGD	
CN(C[C@H]1COCCO1)/C(=C\C#N)c1ccc([N+](=O)[O-])cc1	852496443	QIZKVQTWUOTNGC-WACFDSSMSA-N	303.318	1.806	50	20	DDGD	
CCc1ccc(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1	920379988	DQYCMYNWRPWRPY-CYBMUJFWSA-N	309.391	1.069	50	20	DDGD	
CC1CCN(C[C@H](C)C(=O)NN=C2CN(C3CC3)C[C@@H]2C)CC1	755886097	KBOWVHNRLDVMBH-GJZGRUSLSA-N	320.481	1.941	50	20	DDGD	
NC(=O)[C@H]1CC[C@H]1C(=O)NNc1ccc(-c2ccccc2)nn1	857149584	XOAOXWXWAAOKDB-NWDGAFQWSA-N	311.345	1.098	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccccc1SCC(F)(F)F	755595956	YBBXPMAPVMUTNC-UHFFFAOYSA-N	323.296	1.486	50	20	DDGD	
Cn1nnc2cc(C(=O)NC[C@]3(C)C[C@@H]3Br)cnc21	857394479	NDIBGGKECDFEEL-CABZTGNLSA-N	324.182	1.267	50	20	DDGD	
CC(C)c1nnc(C(=O)NNC(=O)c2cccc(F)n2)s1	856426848	JNVLCFFCKUNOIZ-UHFFFAOYSA-N	309.326	1.270	50	20	DDGD	
O=C(NN=Cc1cccnc1Cl)[C@@H]1CN2CCC[C@@H]2CO1	853390356	UWPJNQOJMPUZMH-NEPJUHHUSA-N	308.769	1.048	50	20	DDGD	
CC[C@H](C)OCC(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	751866492	FDTLSRGOFNFJRW-LBPRGKRZSA-N	322.361	1.114	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)COc2cc(C)on2)c1C	855627778	BKBJLYOBJKXNSN-UHFFFAOYSA-N	319.317	1.600	50	20	DDGD	
COC(=O)CSCCC(=O)NNc1cc(F)ccc1C	855368067	YFMHLLAFSSDIAI-UHFFFAOYSA-N	300.355	1.874	50	20	DDGD	
CCc1ncc(NC(=O)NNC(=O)c2cccc(C#N)c2)cn1	757748612	JOMANGINGWROHN-UHFFFAOYSA-N	310.317	1.377	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)c1	759310033	AZXIQOKVRBIDSS-NSHDSACASA-N	323.368	1.782	50	20	DDGD	
C#CCOc1cccc(NC(=O)NNC(=O)c2ccccn2)c1	756476519	QZUIWMDQNRYWMP-UHFFFAOYSA-N	310.313	1.560	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1cncnc1	760618141	UNJPOLOIWIWWLM-UHFFFAOYSA-N	311.128	1.858	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@H]1CCc2c[nH]nc2C1	863096478	JOJMDEZYIHCNPL-LURJTMIESA-N	312.242	1.333	50	20	DDGD	
CN(NC(=O)C1(C(=O)OC(C)(C)C)CCSCC1)C1CC1	862038577	WXAUGDDTUSKVEL-UHFFFAOYSA-N	314.451	1.967	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)C1CCC(C(F)(F)F)CC1	767781248	VMTBCAUNXMQBLY-UHFFFAOYSA-N	323.315	1.428	50	20	DDGD	
COc1cc(NCc2ccccc2B(O)O)cc(Cl)c1OC	864041752	PLFWSDVJNSCHRU-UHFFFAOYSA-N	321.569	1.649	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)/C=C/COC)o1	865002677	CEHGVTCPOZZHNI-VOTSOKGWSA-N	309.366	1.085	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cc(C)cc(C(=O)OC)c1	933032302	MQTHLHSSHDPOQH-JTQLQIEISA-N	307.350	1.980	50	20	DDGD	
Cc1cccc(NNC(=O)C(=O)Nc2c(C)cc(C)nc2C)n1	861959349	COHWAHRFICGFSN-UHFFFAOYSA-N	313.361	1.792	50	20	DDGD	
O=C(CCn1cc(Cl)cn1)NNCC(F)(F)C(F)(F)F	863094845	VIKHVVVFFIRMOD-UHFFFAOYSA-N	320.649	1.745	50	20	DDGD	
COC(C)(C)CCNC(=O)NNC(=O)Cc1ccc(F)cc1	868988556	GTUOKKVPAPWCIO-UHFFFAOYSA-N	311.357	1.514	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CCOCc2ccccc2)n[nH]1	869012318	MXEQVLDRWUAAIR-UHFFFAOYSA-N	316.361	1.015	50	20	DDGD	
Cn1nnnc1COC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	869462495	UYEILEPCCAJCIL-DKCNOQQISA-N	315.171	1.207	50	20	DDGD	
CC(C)n1ncc(C(=O)NNCC(F)(F)C(F)(F)F)c1N	863098477	KEXUVRMYXPMQDH-UHFFFAOYSA-N	315.246	1.478	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NN=c1cc[nH]cc1Cl	768444616	SAZLHBMXKPLSGA-UHFFFAOYSA-N	301.737	1.650	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H](O)c1ccc(C(F)(F)F)cc1	874214304	ZBPBUDXZRSMZAC-SNVBAGLBSA-N	319.283	1.479	50	20	DDGD	
O=C(NNC(=O)c1cnc(-c2cccnc2)s1)c1ccc[nH]1	761220477	MXOJDBWRVYSQNY-UHFFFAOYSA-N	313.342	1.608	50	20	DDGD	
Cc1cc(=NNC(=O)NCCc2ccc3c(c2)CCO3)cc[nH]1	875288044	KOFRZWQGCKUJCN-UHFFFAOYSA-N	312.373	1.616	50	20	DDGD	
Cc1nc(O)ccc1C(=O)NNc1cccc(S(C)(=O)=O)c1	776528530	PJOCZRPRBVDUAV-UHFFFAOYSA-N	321.358	1.256	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2ccccn2)c(F)c1	771841620	WLVDHZMWINPMQQ-UHFFFAOYSA-N	317.276	1.082	50	20	DDGD	
C[C@H](CC(=O)NNc1nncc(N)c1Cl)c1ccncc1	1118854621	NDOYZLOLZQIYTH-MRVPVSSYSA-N	306.757	1.744	50	20	DDGD	
CON(C)C(=O)[C@@H](C)NC(=O)NNc1cccc(F)c1Cl	875906358	HEWSPEYYOQOAOQ-SSDOTTSWSA-N	318.736	1.514	50	20	DDGD	
O=C(NCC(Cl)Cl)Nc1ccc2c(c1)C(=O)NCC2	878746632	FYVRMSQSGFUABO-UHFFFAOYSA-N	302.161	1.898	50	20	DDGD	
O=C(NCC1=CCCOC1)NNC(=O)c1ccccc1Cl	1117490993	PCFJJNVXRGMYIN-UHFFFAOYSA-N	309.753	1.631	50	20	DDGD	
CN(C)CC(=O)NNC(=O)C1(Cc2ccc(Cl)cc2)CC1	771371217	PRCKFMDETUKMAH-UHFFFAOYSA-N	309.797	1.372	50	20	DDGD	
COc1cccc2[nH]cc(CC(=O)NNc3ncc(F)cn3)c12	778946072	LDIRGIFGICWFNU-UHFFFAOYSA-N	315.308	1.791	50	20	DDGD	
COC(=O)c1cc(OC(=O)[C@H]2CCO[C@@H]2C)ccc1[N+](=O)[O-]	770732393	BGIWSIACWZUZBC-SCZZXKLOSA-N	309.274	1.712	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)COc1ccccc1F	770598304	ZQWMVGUJDUBVRH-UHFFFAOYSA-N	304.325	1.651	50	20	DDGD	
CCC[C@@H](CC)C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1	877998919	JRRVODRVQHHSHG-HZSPNIEDSA-N	313.442	1.459	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCC(C)(C)CO)cc(C#N)n1C	771788549	CDMCEJIJQRDKCA-WLRTZDKTSA-N	300.362	1.247	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSc1ccc([N+](=O)[O-])cn1	772860832	HPZDRBOWAFFNSM-UHFFFAOYSA-N	312.351	1.275	50	20	DDGD	
C[C@H]1CC(C)(C)CC[C@H]1NC(=O)NNC(=O)C1CCOCC1	883493561	NVWRIWVOFAWRCZ-WCQYABFASA-N	311.426	1.958	50	20	DDGD	
COc1ccc(COCCNS(=O)(=O)CCCCl)cc1	882040272	ZVERBJUICSHMBR-UHFFFAOYSA-N	321.826	1.760	50	20	DDGD	
CC(C)[C@@](C)(O)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	770207164	BLNXUGZYTQDAGV-MEBBXXQBSA-N	312.341	1.147	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)c1ccc2ccccc2n1)C(C)C	770201914	GJJIVAJRPCTVNB-CQSZACIVSA-N	301.346	1.667	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@@H]1CCC(=O)c2ccccc21	786281016	YJRITKGTSBUURR-OAHLLOKOSA-N	323.352	1.532	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=S)NC2(C)CC2)o1	789212259	KDVSIEFVZPHCBY-UHFFFAOYSA-N	324.450	1.783	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1cncc(F)c1	788568003	UICMJRLIDTYKKL-UHFFFAOYSA-N	316.321	1.891	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cc3nn[nH]c3cc2F)n1	781944117	SNIMTOSWFYWPMB-UHFFFAOYSA-N	321.703	1.606	50	20	DDGD	
CC1(N2CCCC2)CCC(=NNC(=O)CN2CCCC2=O)CC1	884402526	XAAYOMLZVGVLGX-UHFFFAOYSA-N	320.437	1.510	50	20	DDGD	
COc1ccc(NNC(=O)NCCCOC[C@@H]2CCOC2)nc1	781000581	UIQRLVOYOWRSFA-LBPRGKRZSA-N	324.381	1.160	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2cncs2)cc1OC	782200595	VICRDCRGKPTPPZ-UHFFFAOYSA-N	321.358	1.164	50	20	DDGD	
COCCOc1ncccc1C(=O)NNc1cccc(OC)n1	780772401	LEUJYZIZLZGZTM-UHFFFAOYSA-N	318.333	1.267	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCC[C@@H](C#N)C1	1121947185	CSEPUBZXUOKJCM-NSHDSACASA-N	302.334	1.285	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2	1122542785	VYSHNLYPECOCCW-YNEHKIRRSA-N	307.325	1.019	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccccc1F)C1=CCN(C)CC1	781398383	JZLVEEMKYDPMKB-NSHDSACASA-N	320.368	1.420	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H]2CO[C@H](C)C2)c1	784146713	VHDIQDWZAOOGSA-CHWSQXEVSA-N	306.362	1.255	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NNc1ccc(C#N)cn1	899664198	UQUJATDAIGAPRE-LBPRGKRZSA-N	315.377	1.433	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@@H](CC)C(N)=O)cc1	782449189	SIBSNNLMVRNIGY-TZIYXEQSSA-N	302.330	1.799	50	20	DDGD	
CC(CS(=O)(=O)c1ccc(C)cc1)=NNC(=O)C(F)F	782234579	YGOUUIPGCRSREA-UHFFFAOYSA-N	304.318	1.526	50	20	DDGD	
Cc1nonc1NS(=O)(=O)c1ccc(CCCl)cc1	783597987	TZXTWPWYVLIFAE-UHFFFAOYSA-N	301.755	1.960	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2)C1CCCC1	785408178	FUYGENDRLRFXSX-CHWFTXMASA-N	320.311	1.680	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(C)c(O)c2)cc1	788829721	KQYKHFDZNOZIDM-UHFFFAOYSA-N	300.314	1.784	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1CCC(=O)Nc2ccccc21	783807084	KWDPTBUAYSJNTH-UHFFFAOYSA-N	316.405	1.971	50	20	DDGD	
O=C(NN=C1CCC[C@@H]1c1ccccn1)[C@H]1CCS(=O)(=O)C1	794889249	QSOPWDXKAKUERZ-NWDGAFQWSA-N	321.402	1.256	50	20	DDGD	
CCn1ncnc1CNC(=O)NNc1cccc([N+](=O)[O-])c1C	793461351	JPMZANBMMVZHIG-UHFFFAOYSA-N	319.325	1.341	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)Cc2ccc(Cl)cc2)cnn1C	794195461	ILRIKGDEDYEREF-UHFFFAOYSA-N	320.780	1.315	50	20	DDGD	
CC(C)OC(=O)CC[C@@H](C)NC(=O)NNC(=O)CC(C)(C)C	792303812	JKWMRNITFLJIEP-LLVKDONJSA-N	315.414	1.873	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)c2cccn2C)[C@@H](n2cncn2)C1	794489281	ZYRGECQEGKTHKK-RISCZKNCSA-N	300.366	1.764	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](c2cccnc2)C(C)C)n[nH]1	797964280	GWNPIUANMIDLAH-CYBMUJFWSA-N	301.350	1.314	50	20	DDGD	
CC(=NNC(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)n1cncn1	794444855	GJOWCSSJKUYCRJ-UHFFFAOYSA-N	316.321	1.727	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)[C@@H]1CCC(F)(F)C1	795124972	NTZRCFZISHCUPW-GFCCVEGCSA-N	312.316	1.786	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C(C)c1cnoc1C	799468012	NFDYFNSLXWCJNU-UHFFFAOYSA-N	302.334	1.944	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)c1n[nH]c2c1CCCC2	1317748581	UTTUFDMVGCTYHI-UHFFFAOYSA-N	300.366	1.403	50	20	DDGD	
Cc1ncc(C(=O)NNc2ncc(Cl)cn2)c(C2CC2)n1	1328712787	UKQPIBICVMBSEI-UHFFFAOYSA-N	304.741	1.863	50	20	DDGD	
COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)CCl)cc1	1323269778	QPSKRFMBCJSZJA-SECBINFHSA-N	320.798	1.177	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ccc3cc[nH]c3c2)c1Cl	1253124518	UQPJWOQZBYLNQA-UHFFFAOYSA-N	302.725	1.950	50	20	DDGD	
COc1ccccc1OCCNS(=O)(=O)CCCCl	695214337	UDTAFUQSDJQPJH-UHFFFAOYSA-N	307.799	1.622	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CN2[C@@H](C)CC[C@@H]2C)cc1	1252384432	SJASFFMQMLXNGN-RYUDHWBXSA-N	305.378	1.329	50	20	DDGD	
N#Cc1cccc(NC(=O)C2CCN(C(=O)CCl)CC2)c1	1253963309	MWVRJMQXUWGGGS-UHFFFAOYSA-N	305.765	1.974	50	20	DDGD	
CC(=NNC(=O)c1ccc(C)c(O)c1)C(C)(C)n1cncn1	1330893414	UOAPTSSXCVFKRO-UHFFFAOYSA-N	301.350	1.833	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)C2CCOCC2)[C@H](n2cncn2)C1	1331994531	PEMCHSZXAHLKOF-BXUZGUMPSA-N	305.382	1.538	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2cn(C3CC3)nn2)nn1	1335410005	ZMFVGFJNGKUUDC-UHFFFAOYSA-N	301.354	1.457	50	20	DDGD	
C=C(CC)C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C	1346085847	HOGLWMBPRFTKBT-UHFFFAOYSA-N	324.406	1.015	50	20	DDGD	
O=C(CN1C(=O)CCC1=O)NNc1ccc(C(F)(F)F)cc1	1346624200	PSQTUEIHKLPCAJ-UHFFFAOYSA-N	315.251	1.298	50	20	DDGD	
C[C@@]1(COC(=O)CCn2ccccc2=O)C[C@H]1Br	1344036805	ONMVYNUXEQECIJ-MFKMUULPSA-N	314.179	1.955	50	20	DDGD	
C[C@@]1(C(=O)N2CCc3c(O)ncnc3C2)C[C@@H]1Br	1350718228	XDLOURUTGPBQDY-JOYOIKCWSA-N	312.167	1.240	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C(=O)O)C2CCCC2)c(O)c1	1605252935	YHYHAKAXBBWAQA-ZDUSSCGKSA-N	320.345	1.353	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc(O)c(F)c1	1606857848	UVCRUGCDYXZGCL-UHFFFAOYSA-N	314.280	1.468	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@H]1COc2ccccc2O1	1606529108	ZDVFXIDTSNJWLP-GFCCVEGCSA-N	315.285	1.063	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNc2ccc(CC(=O)O)cc2)CCC1=O	1604648222	JLVBKRKCYCMBLI-JQWIXIFHSA-N	304.346	1.762	50	20	DDGD	
CC(C)C[C@@H](CNC(=O)NNc1cccc(C(=O)O)c1)C(=O)O	1609692839	XONSQTZCGVIDCP-NSHDSACASA-N	323.349	1.758	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCC(C)(C)CC(=O)O)c1	1607923347	DBULGKPRORPHRK-UHFFFAOYSA-N	313.379	1.501	50	20	DDGD	
CC(C)(Cc1ccc(Cl)cc1)C(=O)NNC(=O)CCCN	1575337577	BGVQWICXGTXYJX-UHFFFAOYSA-N	311.813	1.795	50	20	DDGD	
Cc1cc(=NC(=O)NNc2ncccc2C(=O)O)c(C)c[nH]1	1574338262	JWJBSXKJGZJTJW-UHFFFAOYSA-N	301.306	1.362	50	20	DDGD	
CC[C@H](C)C[C@H](N)C(=O)NNC(=O)C(C)(C)c1ccccc1	1576984680	ZRRTUUNRLZMTAR-JSGCOSHPSA-N	305.422	1.875	50	20	DDGD	
Cc1nn(C)c2nc(Cl)cc(NNC(=O)[C@H]3CCN[C@@H]3C)c12	1579891654	QJTBNVFJNLIOCX-APPZFPTMSA-N	322.800	1.371	50	20	DDGD	
CCN(CCO)NC(=O)c1csc(Cc2ccc(N)cc2)n1	1577725702	KPFYHAIBUPYMCM-UHFFFAOYSA-N	320.418	1.275	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1)c1c[nH]nc1[C@H]1CCNC1	1580737307	NQSMDOAIKJESGW-VIFPVBQESA-N	305.769	1.897	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)cn1)c1cccs1	1589000302	XOJKSXAJKQUHLE-MRVPVSSYSA-N	315.362	1.570	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCCCC(=O)O)c1C	1598999875	UAODFEHBDLTADG-UHFFFAOYSA-N	308.334	1.870	50	20	DDGD	
CCCN1CC[C@H](NC(=O)NNc2ccc(C(=O)O)c(F)c2)C1	1595906961	NTXFHTWGEDIFDJ-NSHDSACASA-N	324.356	1.634	50	20	DDGD	
C[C@@]1(CNC(=O)c2cc(C(=O)O)ccn2)C[C@@H]1Br	1594026867	JCXXIYNVULTXBZ-CABZTGNLSA-N	313.151	1.683	50	20	DDGD	
COc1cccc(C(=O)NN=Cc2cc(C(=O)O)cn2C)c1	1776110034	LBJZRUIXAIQHOJ-UHFFFAOYSA-N	301.302	1.496	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2c(O)cccc2F)cc1	161619648	LYACIWKNTDMQPE-UHFFFAOYSA-N	317.320	1.713	50	20	DDGD	
O=C(CNC(=O)c1cc(F)cc(F)c1)NNc1ccncc1	162352172	NBRPOHMKRLUQOF-UHFFFAOYSA-N	306.272	1.233	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2cccs2)n[nH]1)c1cscn1	152236639	HUSIXYRHOSOGEU-UHFFFAOYSA-N	319.371	1.670	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)Cc2ccccc2OC)co1	153035870	DFMVRHDVPMDTRY-UHFFFAOYSA-N	303.318	1.249	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)Cc2cccnc2)CCCS1	153139811	HWGMXITYKDQPPP-AWEZNQCLSA-N	308.407	1.240	50	20	DDGD	
Cc1c(NCC(C)(C)C)cccc1C(=O)NNC(=O)CN(C)C	153583773	DPNPCHPXYUIKQH-UHFFFAOYSA-N	320.437	1.776	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1n[nH]c2ccccc12	153805065	SXVZIYMYUJWFSI-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
CCCN1CC[C@@H](CNC(=O)NNc2ccc(OC)cn2)C1	157509774	UDNALWBDKDHYPQ-LBPRGKRZSA-N	307.398	1.448	50	20	DDGD	
CCc1n[nH]c(=O)c(C(=O)NNc2ccc(OC)cn2)c1CC	159624572	CRRJTNDOYBIXAC-UHFFFAOYSA-N	317.349	1.055	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cccs1)CC1=CCSC1	852747535	MXBOWJGKTPOHTJ-UHFFFAOYSA-N	311.432	1.114	50	20	DDGD	
CS(=O)(=O)NCCCNC(=O)c1cccc(CCl)c1	230990860	MOUQDRTUFSOMOA-UHFFFAOYSA-N	304.799	1.095	50	20	DDGD	
CC(C)OC(=O)CNS(=O)(=O)c1ccc(CCl)cc1	308759736	DUJFQCRIVRWRGJ-UHFFFAOYSA-N	305.783	1.655	50	20	DDGD	
CC(C)(C)OC(=O)NC[C@H]1CCN(S(=O)(=O)CCl)C1	830330901	HUEUUEVCUBGWEC-SECBINFHSA-N	312.819	1.359	50	20	DDGD	
CCCCc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1	10215146	IRYROIRGFIIPDU-UHFFFAOYSA-N	303.362	1.069	50	20	DDGD	
O=C(NC[C@H]1CCCOC1)NNC(=O)c1ccc(Cl)cc1	57162893	YXIOJOGMXLSHHM-SNVBAGLBSA-N	311.769	1.711	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1cnn(C)c1)c1ccccc1F	117681099	TTXOGVHXHOZHKP-JTQLQIEISA-N	304.325	1.514	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CC[C@@H]1CCOC1	177622466	UGQWWXUPPABMQK-VXGBXAGGSA-N	324.352	1.557	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O	172881682	GZUCTBGCQWCJGH-LDGMUZPGSA-N	313.357	1.741	50	20	DDGD	
CC[C@@H](C)NC(=O)CCNC(=O)NNC(=O)OC(C)(C)C	56917322	NUQOIJYAMTYMAL-SECBINFHSA-N	302.375	1.030	50	20	DDGD	
CCNC(=O)CCCC(=O)NNC(=O)c1ccc(CC)cc1	104824078	AWRMKMHGZXFBQC-UHFFFAOYSA-N	305.378	1.316	50	20	DDGD	
Cc1noc(C2CCN(C(=O)NNC(=O)C(C)(C)C)CC2)n1	109150354	GLKYCNVWYICBBK-UHFFFAOYSA-N	309.370	1.344	50	20	DDGD	
CC1(C)CC(=O)C(=CNNC(=O)Cc2cccs2)C(=O)C1	60865385	UPKUTLBYENWMSV-UHFFFAOYSA-N	306.387	1.754	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc2nccnc2c1	109144407	UJYZJRHFWHTQJB-UHFFFAOYSA-N	322.324	1.713	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCCCc1nc(C)cs1	66703168	JZTNLTLXOZVVQK-UHFFFAOYSA-N	314.411	1.141	50	20	DDGD	
O=C(CCn1cnc2ccccc21)NNC(=O)c1ccncc1	170810266	DYTCUIIMQMMCBH-UHFFFAOYSA-N	309.329	1.283	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@H](c1cccc(OC)c1)N(C)C	178950024	CJQUXHPHGNTUKG-WCRPCQDQSA-N	317.389	1.858	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@H]2CCOC2)ccc1OC(C)C	66896728	HYFJCWFRAWALIB-LBPRGKRZSA-N	322.361	1.280	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1cc[nH]c1C	174942555	UFDYAESEFDMMAI-UHFFFAOYSA-N	303.318	1.172	50	20	DDGD	
COc1csc(C(=O)NNC(=O)Cc2ccccc2F)c1	176798526	WRUFRQVLZCZBQX-UHFFFAOYSA-N	308.334	1.900	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C[C@@H]1OCCc2ccccc21	115728896	ZUZXVEUUOOXMFB-ZDUSSCGKSA-N	321.446	1.984	50	20	DDGD	
CN(C)C(=O)NNC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1	179761666	BROJBVNNZJFUSY-SNVBAGLBSA-N	320.176	1.719	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCCc1cccc(C(=O)N(C)C)c1	172809314	PPEGIENYEGZHMT-NTCAYCPXSA-N	315.373	1.491	50	20	DDGD	
Cc1nc(COc2ccc(C(=O)NNC(=O)C(C)C)cc2)no1	25437461	HQFPFTRYQYUWBR-UHFFFAOYSA-N	318.333	1.374	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1nncn1-c1ccccc1	110103118	STHIGUWRUNZBCK-SNVBAGLBSA-N	319.390	1.305	50	20	DDGD	
C[C@@H]1CCC[C@@H](CNC(=O)NNC(=O)Cc2ccncc2)C1	176265591	KOPPUDLODSTPSW-TZMCWYRMSA-N	304.394	1.781	50	20	DDGD	
COC(C)(C)CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	174139989	FMPQFHOUYMUFDP-AWNIVKPZSA-N	300.362	1.653	50	20	DDGD	
CN(CC(=O)NNC(=O)C1CC1)Cc1nc2ccccc2s1	112976006	ASAZNGWMMZTWIV-UHFFFAOYSA-N	318.402	1.286	50	20	DDGD	
O=C(CSc1ccccc1)NNC(=O)NCc1ccco1	65177513	RZYYSTHDNPQFNC-UHFFFAOYSA-N	305.359	1.902	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccccc1)c1cccc(Cl)c1	173618449	NROBSVSRFVSREI-CYBMUJFWSA-N	304.733	1.835	50	20	DDGD	
C[C@@H](CCC(=O)NNC(=O)N1CCOCC1)c1ccccc1	178776621	CZCKJDOCMGBTGF-ZDUSSCGKSA-N	305.378	1.643	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)COc1ccc(C)c(C)c1	124780147	MIRQEADSWGAZQO-CYBMUJFWSA-N	310.419	1.971	50	20	DDGD	
Cc1nc(-c2ccccc2)sc1NC(=O)NNC(=O)CCO	129040962	QPHGEMAUIALYPE-UHFFFAOYSA-N	320.374	1.654	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2cc(C)nn2C)c1	125755358	AURLBPJGJWDTPN-UHFFFAOYSA-N	316.361	1.185	50	20	DDGD	
COc1c(F)cc(NC(=O)C(=O)NNc2ccccn2)cc1F	181406070	ZYPGDOVDMOAQGQ-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
CC[C@H](COC)NC(=O)NNC(=O)c1cccc2ncccc12	129535767	ULJSEOJZIJCIOA-LLVKDONJSA-N	316.361	1.604	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2cc(C#N)c[nH]2)c1	181134027	VKARABKEQGSWOW-UHFFFAOYSA-N	304.331	1.047	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)c1c[nH]c2ccccc12)C(C)C	74930524	HNWPAMPTACREOO-CQSZACIVSA-N	318.377	1.783	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)c2cscn2)cc1	75570647	XOFLKAKWOMVCID-UHFFFAOYSA-N	305.363	1.676	50	20	DDGD	
CC[C@@H]1CCC[C@H](NC(=O)NNC(=O)Cc2cccnc2)C1	77564051	CBZILIYUXLUWRP-OCCSQVGLSA-N	304.394	1.923	50	20	DDGD	
CC(C)c1cccc(-c2ccc(C(=O)NNC(=O)CO)o2)c1	182752239	PTPJSKODHSKGFJ-UHFFFAOYSA-N	302.330	1.823	50	20	DDGD	
NC(=O)NCc1ccc(C(=O)NNc2ccc(F)cc2F)cc1	122400221	OJAOBTAGHRGVLE-UHFFFAOYSA-N	320.299	1.890	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1cc2c([nH]c1=O)CCCC2	182428445	AMWUXLXRECKEOO-UHFFFAOYSA-N	302.309	1.545	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)c2cnn(C)c2)cc1	186381461	JWCXSBXMOYKLAN-UHFFFAOYSA-N	303.322	1.285	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccc([S@@](C)=O)cc2)o1	186161285	PYJDLPPLDKFQLG-JOCHJYFZSA-N	321.358	1.792	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](C(=O)NNC(=O)c2ccc(C#N)cc2)C1(C)C	131163578	VQTLOGMTURTOEU-UONOGXRCSA-N	313.357	1.571	50	20	DDGD	
C[C@H](C(=O)NNc1ncc(Cl)cc1Cl)n1cncn1	132538234	OQUDXZPGELUBCA-ZCFIWIBFSA-N	301.137	1.684	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(F)cc3nccnc23)n1	194233111	NNMCFXCDQFVDPN-UHFFFAOYSA-N	314.280	1.324	50	20	DDGD	
CCc1c(C(=O)NNc2ncccn2)cnn1-c1ccccc1	43756521	RXJDUKLMYAKJOU-UHFFFAOYSA-N	308.345	1.982	50	20	DDGD	
O=C(NNc1ncccn1)c1c[nH]nc1-c1c(F)cccc1F	134883523	KJKJZNBZMZKLRY-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C2CCC(O)CC2)c1	194012414	DMRVEOVXRQONBG-UHFFFAOYSA-N	320.389	1.381	50	20	DDGD	
CCn1cc(NC(=O)NNc2nc3ccccn3n2)ccc1=O	191414845	GOXOLRNBSHBFLN-UHFFFAOYSA-N	313.321	1.060	50	20	DDGD	
CCn1cc(NC(=O)NNC(=O)c2ccccc2C)ccc1=O	147429810	JLVYYHIUQSKSEB-UHFFFAOYSA-N	314.345	1.643	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@H](C)c1cccs1	94121081	CNMYMERHTSGPJB-MRVPVSSYSA-N	303.478	1.710	50	20	DDGD	
C[C@@H](OC[C@H]1CCCO1)C(=O)NNc1c(F)cccc1F	265454873	LVZUQCXEQJJLLA-NXEZZACHSA-N	300.305	1.992	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1)C1CC1	264769921	KVUHQJMYXVFQGN-LBPRGKRZSA-N	309.272	1.015	50	20	DDGD	
C[C@]1(NNC(=O)Nc2cc(F)cc(F)c2)CCS(=O)(=O)C1	268869808	UZMLMOFWMOQNEE-LBPRGKRZSA-N	319.333	1.168	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NNc2ncnc3ccsc23)C1	268925516	DODZPLNQGHLASO-JTQLQIEISA-N	319.390	1.393	50	20	DDGD	
CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NNC(=O)c1ccccc1F	265933380	FWXLOKYPBIDPBU-RTXFEEFZSA-N	321.352	1.583	50	20	DDGD	
C[C@H](O)CCNS(=O)(=O)c1ccc(CCCCl)cc1	269301901	RDRYLMFICZOSEM-NSHDSACASA-N	305.827	1.907	50	20	DDGD	
CCC(C)(C)N[C@@H](C)C(=O)NNc1ccc(C(=O)OC)cn1	274744975	DNRIIKDAGARJOP-JTQLQIEISA-N	308.382	1.478	50	20	DDGD	
C[C@H](O)CN1CCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)CC1	275044864	IHVHEBMLMXWPDP-FRSBPCGOSA-N	316.361	1.458	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)Nc1ccc2c(c1)CCC2	274062340	LSTWSEREFSIXQW-UHFFFAOYSA-N	301.346	1.061	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1cccc(F)c1F	274226274	PTVYTRUELQPIOC-UHFFFAOYSA-N	315.276	1.459	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C(C)(C)C)ccc1O	276864064	GJZKUTPRHVLJOO-JSGCOSHPSA-N	320.389	1.913	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@@H]1CCCN1c1ccccc1	375729685	GKPSNCOKUGOOJR-AWEZNQCLSA-N	322.372	1.841	50	20	DDGD	
CCOC(=O)c1cc2cc(C(=O)NN(C)C(=O)OC)ccc2[nH]1	286372929	NRFLMGLUKZTQBL-UHFFFAOYSA-N	319.317	1.688	50	20	DDGD	
CSCC(C)(C)C(=O)NNC(=O)CNc1ccc(C)cc1	282242834	VDMPEELFDZWKCB-UHFFFAOYSA-N	309.435	1.944	50	20	DDGD	
Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NNc1ccc(F)cc1	280596344	FJIXCLFNFLFXLT-MRXNPFEDSA-N	319.336	1.190	50	20	DDGD	
CCCN(NC(=O)[C@H](O)c1cnn(C)c1)C(=O)OC(C)(C)C	286522893	OKNVNGANDCKVMY-LLVKDONJSA-N	312.370	1.132	50	20	DDGD	
O=C(CCCCc1c[nH]nn1)NNC(=O)Nc1ccccc1	282936244	ZNBNTPQFOLPQDT-UHFFFAOYSA-N	302.338	1.370	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CCc1cscn1	288081634	VFKCJJUUTURBIS-UHFFFAOYSA-N	315.395	1.012	50	20	DDGD	
CCSCCCNC(=O)NNC(=O)Cc1ccc(F)cc1	282870705	PCASATKQNYUZQW-UHFFFAOYSA-N	313.398	1.842	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NCc2ccc(=O)[nH]n2)cc1	297507586	GPZSDMSZBGJPJF-UHFFFAOYSA-N	315.377	1.894	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)C2CN(C(C)=O)C2)cc1C	291177358	KJFKWXJELGFJKO-UHFFFAOYSA-N	319.361	1.093	50	20	DDGD	
O=C(CCCn1cncn1)NNc1ccc2c(=O)[nH]ccc2c1	803430611	IIHALJQJWZGSDC-UHFFFAOYSA-N	312.333	1.043	50	20	DDGD	
Cc1ccccc1-n1cc(C=NNC(=O)c2ccc(N)cc2)nn1	807943663	ILMJLHXJAPRILR-UHFFFAOYSA-N	320.356	1.922	50	20	DDGD	
Cn1cncc1CC(=O)NNC(=O)c1cccc2ccccc12	806916484	JOBZFHLXNMLTNP-UHFFFAOYSA-N	308.341	1.577	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)Nc1cc(F)cc(F)c1)C(C)C	297124129	ZJAKMTQMHQDOOF-LBPRGKRZSA-N	310.304	1.958	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1	294081464	HXYUZHQHWRPGOD-LLVKDONJSA-N	319.336	1.126	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNC(=S)N[C@@H](C)C1CC1	805189724	VXUADRIIVRODPH-VIFPVBQESA-N	315.439	1.260	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(F)c(O)c(F)c1	295597561	PQMFRQMSUIBTKL-SNVBAGLBSA-N	300.261	1.001	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Nc2ccnnc2OC)cc1	808901374	FNDMCAXWXQKLDG-UHFFFAOYSA-N	315.333	1.514	50	20	DDGD	
COC1(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)CCC1	802124798	UXIMEOOENUITFK-UHFFFAOYSA-N	306.366	1.474	50	20	DDGD	
O=C(NNc1ncncc1F)c1nc(Br)cs1	817077700	ORFCQANCSHSUPJ-UHFFFAOYSA-N	318.131	1.592	50	20	DDGD	
COCCn1nnc2c1CCN(C[C@@H](C)CBr)C2	815128923	BGNKATLKEFCKMO-JTQLQIEISA-N	317.231	1.314	50	20	DDGD	
Cc1nnsc1CNC(=O)NNc1ncnc2ccsc12	813849244	JSRVSTAIUNILSS-UHFFFAOYSA-N	321.391	1.678	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2cn(C)nc2O)c2ccccc2n1	814213891	KWZGDHPLVPTRBR-UHFFFAOYSA-N	309.329	1.746	50	20	DDGD	
CN(C)c1ccc([C@@H]2C[C@H]2C(=O)NNc2ncncc2F)cc1	817082759	KCFKWGQNLWIAAL-QWHCGFSZSA-N	315.352	1.929	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H]2CCc3nncn3C2)cc1	817925630	JVRZQOQDLDELKX-LLVKDONJSA-N	301.350	1.383	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1S(=O)(=O)CCl	817144003	QJRAVTSLIFFLFG-ZJUUUORDSA-N	311.831	1.955	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCc1ccc(C#N)cn1	813707792	PWRHTKPWZSNOAG-AUWJEWJLSA-N	304.309	1.882	50	20	DDGD	
CO[C@H](Cc1ccccc1)CS(=O)(=O)N1CC=C(C#N)CC1	817138669	QBTOWPYMGGWHQJ-MRXNPFEDSA-N	320.414	1.730	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CC[C@H](C(=O)O)C2)cc(C#N)n1C	818772640	BNNJVRONXWEAED-LEBPBNDJSA-N	312.329	1.045	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CC[C@H](C(=O)O)C(C)(C)[C@H]1C	814777197	QNFCTSMHODLNJX-VHSXEESVSA-N	311.382	1.140	50	20	DDGD	
Cn1ncc(C=NNC(=O)CCSc2ccc(F)cc2)n1	814754554	UZVKVVMGHVGXHV-UHFFFAOYSA-N	307.354	1.587	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C[C@@H](C)NC(=O)C1CCCCC1	727369105	FHIUVUJWNSUBIB-GFCCVEGCSA-N	311.426	1.655	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccc3c(c2)COC3)c1	728826565	OGLMKELUEKVFDL-UHFFFAOYSA-N	307.309	1.663	50	20	DDGD	
O=C(NCCc1ccn(-c2ccccc2)n1)NNc1ncccn1	726252070	AWAWWHSKAUOACU-UHFFFAOYSA-N	323.360	1.531	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H](C(=O)NNc1ncccn1)C1CCC1	496334491	XZLXRXPQKNNVEJ-LLVKDONJSA-N	321.381	1.613	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(c2cnccc2C#N)CC1	491104259	NHBKJIIFRPMAMD-WYMLVPIESA-N	311.345	1.046	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C	823959190	CYARMAAFSHFCTQ-RYUDHWBXSA-N	315.414	1.120	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)OC[C@@H]2CNC(=O)O2)cc1	496273516	JVFIHWFUYWZMRN-GMMCIKNFSA-N	316.313	1.644	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cc(-c2ccccn2)no1	492928709	FJLRUUKDQOQKOP-UHFFFAOYSA-N	304.306	1.906	50	20	DDGD	
Cn1nc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1C1CC1	826365926	KLEZQLYOZZGSMY-UHFFFAOYSA-N	324.348	1.235	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1C[C@H](C)Oc2c(F)cccc21	828958981	HJAVZSZNAPKLBS-JTQLQIEISA-N	309.341	1.216	50	20	DDGD	
CCC(CC)N1C[C@@H](C(=O)NNC(=O)C2CCCC2)CC1=O	729315452	KXCQFXLSHSDWJZ-LBPRGKRZSA-N	309.410	1.361	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1Cl	495406126	ANUGGTUJQURHNV-UHFFFAOYSA-N	320.132	1.709	50	20	DDGD	
C/C=C(/C=C/C(=O)NNc1nc(O)c2cnn(C)c2n1)CC	492217026	HTDVTOFITDQLNY-PIAAQLDDSA-N	302.338	1.425	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNc1nc(-c2cccnc2)no1	823232108	KAADZGZNFAWGJL-MNOVXSKESA-N	301.306	1.166	50	20	DDGD	
C[C@@]1(C(=O)Nc2cccc(B(O)O)c2)[C@@H]2c3ccccc3C[C@H]21	584913841	KLZIDTFQRNFVOF-NUJGCVRESA-N	307.158	1.281	50	20	DDGD	
O=C(N1CC[C@@H](B(O)O)C1)C1(c2cc(F)cc(F)c2)CCCC1	585065368	COFDGLBFMXLJIS-GFCCVEGCSA-N	323.148	1.852	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc2c(C(F)F)nn(C)c2s1	823927666	CRNYICGMTJZUSV-LURJTMIESA-N	318.349	1.530	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)C1	495352416	LZLGVXYSTTZPHK-WDEREUQCSA-N	313.398	1.485	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC[C@H](C2CCC2)CC1)N1CCOCC1	824621541	RHWJXXLNRVQVPN-HDJSIYSDSA-N	309.410	1.666	50	20	DDGD	
C[C@@H](Cc1ccc(N(C)C)cc1)NCc1ccc(B(O)O)cc1	585030101	WLACHPBDIYUPER-AWEZNQCLSA-N	312.222	1.153	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cc(F)ccc1[N+](=O)[O-]	728849975	FDEHIOIYCVESEG-UHFFFAOYSA-N	318.264	1.133	50	20	DDGD	
COc1cccc(CN(C)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	827316083	YYPIZQWYDRXCBF-SMDDNHRTSA-N	321.377	1.293	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CC[C@@H](c3ccc(F)cc3)C2)o1	585039070	OFTBXEGRKTVHFI-OCCSQVGLSA-N	303.142	1.524	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1coc2ccccc12	826010868	YYCJJWZXDPKYTO-PWSUYJOCSA-N	317.345	1.688	50	20	DDGD	
Cc1ncc(C(=O)NNc2nc(-c3cccnc3)no2)s1	728074518	GQNCXFJZKDELAA-UHFFFAOYSA-N	302.319	1.653	50	20	DDGD	
CCN(CCO)NC(=O)c1cc2ccc(OC)cc2nc1C	823842777	YKRHWIYSHFLEBG-UHFFFAOYSA-N	303.362	1.511	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC=C(c2ccco2)C1	827266666	DDFUBWQMABBRKO-DGCLKSJQSA-N	319.361	1.535	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cc(F)c(OC)cc1F	901854060	HTCQFFWWNXKDFI-SSDOTTSWSA-N	322.333	1.329	50	20	DDGD	
CC(C)C[C@@H]1COCCN1C(=O)/C(C#N)=C\c1cnn(C)c1	490979928	ZHWOMFMRJXGXFD-XIEDVDOYSA-N	302.378	1.601	50	20	DDGD	
O=C(NNC(=O)N1CC[C@@H](c2cccnc2)C1)C1CCCC1	826623660	HMHAGEJZKYWVPY-CQSZACIVSA-N	302.378	1.802	50	20	DDGD	
CC(C)c1ccc(CN(C)C(=O)c2ccc(B(O)O)cc2)cc1	584927710	WCLJZKMFAZHVOE-UHFFFAOYSA-N	311.190	1.762	50	20	DDGD	
C[C@@H](c1nc(-c2ccc(B(O)O)cc2)no1)N1[C@H](C)CC[C@H]1C	585054443	LYNAZPHTRVKWNC-UTUOFQBUSA-N	315.182	1.350	50	20	DDGD	
C=C(CC)CNC(=O)NNC(=O)Cn1ccc2ccccc21	836284475	MADOGZITKCAMKH-UHFFFAOYSA-N	300.362	1.938	50	20	DDGD	
CC(C)C[C@@H](NC(=O)O)C(=O)NNC(=O)c1cccc(C#N)c1	736415827	MBTIANFNLAEKGC-GFCCVEGCSA-N	318.333	1.002	50	20	DDGD	
Cn1c(CC(=O)NN=Cc2ccc(CO)o2)nc2ccccc21	739400564	PQEFOJLLLDFSRN-UHFFFAOYSA-N	312.329	1.351	50	20	DDGD	
Cc1ncc2c(n1)CCC[C@@H]2NC(=O)NNC(=O)CC(C)C	734953775	KKGWJUKQCUCMBA-ZDUSSCGKSA-N	305.382	1.539	50	20	DDGD	
CC[C@@H](O)[C@H](C)C(=O)NNC(=O)CCc1ccc(OC)cc1	908269662	IWXYIJAELVHUSS-SMDDNHRTSA-N	308.378	1.182	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNc1cccc(Br)n1	837211324	WBCMTBKNPUZLFS-UHFFFAOYSA-N	324.182	1.870	50	20	DDGD	
CC[C@H](c1ccccc1)N(CC)C(=O)c1ccc(B(O)O)cc1	584940159	QHQTWVAISWUWEM-QGZVFWFLSA-N	311.190	1.980	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@@H](CC2CCCC2)C1	584976989	ODUROLGDWUCMHP-ZDUSSCGKSA-N	319.185	1.548	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNc1cccc(C(F)(F)F)n1	839688983	URZPSNAMYYAOCF-QMMMGPOBSA-N	318.299	1.691	50	20	DDGD	
COC(=O)c1csc(C(C)=NNC(=O)[C@H]2CCCCO2)c1	834984603	CEBWJCHBSPWDFC-LLVKDONJSA-N	310.375	1.944	50	20	DDGD	
CCn1nc(C)c(CNC(=O)NNc2ccc(F)cn2)c1C	731362942	PKVIQYPRRLCCSU-UHFFFAOYSA-N	306.345	1.880	50	20	DDGD	
O=C(CCCC(=O)c1ccccc1)NNC(=O)NCC1CC1	900386007	INURNPHRFWEUBV-UHFFFAOYSA-N	303.362	1.780	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@H]1CCOC2(CCC2)C1	901291793	NZHAMJZIVLIBQK-JTQLQIEISA-N	317.480	1.194	50	20	DDGD	
CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cc(B(O)O)ccc1F	584951602	XNLHQWDCLZECFJ-IAQYHMDHSA-N	307.174	1.546	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1CNC(=O)NNC(=O)COCc1ccccc1	836317288	IVDIXKXLIKXRQS-GJZGRUSLSA-N	319.405	1.826	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@]1(C#N)CC12CCCC2	830189780	BQONIOBCSBUZHD-INIZCTEOSA-N	323.393	1.397	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1c(Cl)nc2ccccn12	737428367	YNQPJHJHRIIGRQ-UHFFFAOYSA-N	319.752	1.107	50	20	DDGD	
CCn1cc(Cl)cc1C(=O)NNC(=O)NCCCOC	906416453	CGKLNRDLCNDPLH-UHFFFAOYSA-N	302.762	1.142	50	20	DDGD	
CC[C@@H]1CCC[C@H](NC(=O)NNC(=O)N=c2cc[nH]cc2)C1	836319460	BAFLACVZMNYNHO-YPMHNXCESA-N	305.382	1.808	50	20	DDGD	
COc1ccc(C=NNC(=O)CC(C)C)c(OCC(=O)O)c1	734363726	OKNYZXWJMOEDIM-UHFFFAOYSA-N	308.334	1.655	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@@]1(Cl)C[C@H]2CC[C@H]1O2	907697057	FDSHKWNEDOZRKH-JRKPZEMJSA-N	307.741	1.101	50	20	DDGD	
O=S(=O)(CCl)N1CCCN2c3ccccc3C[C@@H]2C1	831582814	IVLLFUSCOJJPOY-GFCCVEGCSA-N	300.811	1.650	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21	905618908	QLWXZPLOIPWGCN-JCGIZDLHSA-N	322.364	1.755	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)OCc2noc3c2CCCC3)cn1	837973009	ZIUMCQUZTUIQBV-SDQBBNPISA-N	312.329	1.937	50	20	DDGD	
CCc1cc(NNC(=O)[C@H]2CCOC2)nc(-c2ccccn2)n1	738532240	UARDHAJXCRYWAW-NSHDSACASA-N	313.361	1.581	50	20	DDGD	
CN(C)S(=O)(=O)c1c[nH]c(C(=O)NNc2ccccc2)c1	732265499	HOGWMSKTMBDJDN-UHFFFAOYSA-N	308.363	1.022	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)ccc(F)c1F	831866241	WLKVEFHBHXDJTR-BDAKNGLRSA-N	313.304	1.851	50	20	DDGD	
O=C(NCB(O)O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1	585059626	VBUYMASHDJEIIN-AWEZNQCLSA-N	319.553	1.588	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCC[C@H]1CC1CCCCC1	584937166	RNPUQXGDRZKKMD-KRWDZBQOSA-N	315.222	1.941	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCC(C)(C)O)c1F	838557957	ASGAUACQSCVMRT-UHFFFAOYSA-N	313.329	1.399	50	20	DDGD	
C=C(CC)CNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	836654454	PQJBUJAMSBBVEM-ZDUSSCGKSA-N	305.334	1.123	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCc1cccc(C(=O)O)c1	833474389	WPEBHSSCXIZNSA-UHFFFAOYSA-N	307.350	1.304	50	20	DDGD	
Cc1ccc2c(c1)N(CC(=O)NNC(=O)C(C)(C)C)CCC2	744400438	JMGWGAOUCLDVJF-UHFFFAOYSA-N	303.406	1.941	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2c[nH]c3ncccc23)cc1	919689605	YRBWWNSCYOGCLE-UHFFFAOYSA-N	324.340	1.711	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2ccccc2Br)c[nH]1	748059925	WNLLLENMNURRFG-UHFFFAOYSA-N	323.150	1.633	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H](C)Cc1cnc2ccccc2n1	910144391	HPQLWTAJDIUMBA-RYUDHWBXSA-N	302.378	1.152	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1c(Cl)nc2ccccn12	842556926	OLNHTTGRCADDIA-NXEZZACHSA-N	306.753	1.863	50	20	DDGD	
CCn1cncc1C=NNC(=O)[C@@H](C)CN1CCCCCC1	841615435	YELCVUZPNWFYHQ-AWEZNQCLSA-N	305.426	1.865	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)COc1ccc(C(F)(F)F)cc1	910171094	SPJBNJZLHVDPPO-SECBINFHSA-N	306.284	1.428	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cn1)[C@H]1CCCS1(=O)=O	847753625	CCXSBNCLOCCTGA-MRVPVSSYSA-N	323.296	1.121	50	20	DDGD	
Cc1[nH]nc(C(F)(F)F)c1C(=O)NNC(=O)c1ccccc1	746579716	MMTXOJOBFJBRHS-UHFFFAOYSA-N	312.251	1.812	50	20	DDGD	
CC(C)Oc1ncccc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843656724	PTOKVSIYPUIZOO-MNOVXSKESA-N	307.350	1.055	50	20	DDGD	
N[C@H]1CCC[C@@H](NC(=O)NNc2ncnc3ccsc23)C1	841983158	OOKFUNWSXHONKG-DTWKUNHWSA-N	306.395	1.587	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1ccc2c(c1)CCCC2	843646316	KCYRUXCHMUEZGM-LRDDRELGSA-N	316.401	1.680	50	20	DDGD	
C[C@@H](CN)CNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	841963870	WQNWKABJQULQJW-HXTFMFRQSA-N	308.426	1.128	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)C(C)(C)CNC(C)=O	845917457	QZJGBFGSETXULH-UHFFFAOYSA-N	307.350	1.079	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	848159110	UBOPUVFFZRRWIX-HTQZYQBOSA-N	302.256	1.055	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cccc2cccnc12)[C@H](C)O	842230651	XFXQTOZQKSVGTK-JQWIXIFHSA-N	301.346	1.403	50	20	DDGD	
Cc1c(NNC(=O)c2ccc([N+](=O)[O-])n2C)cccc1[N+](=O)[O-]	748670982	UFNGCUCOJDBDCI-UHFFFAOYSA-N	319.277	1.907	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1sccc1C	743446559	ZSURWJDCKDWKGB-UHFFFAOYSA-N	306.347	1.341	50	20	DDGD	
CC(C)CC1CCN(C(=O)NNC(=O)c2ncccn2)CC1	841592094	KFKMNIIBLWDOOU-UHFFFAOYSA-N	305.382	1.589	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2ccc(-n3cccn3)nn2)CS1	840415859	ITMWGUWVGFIJBG-VHSXEESVSA-N	319.394	1.182	50	20	DDGD	
O=C(NNS(=O)(=O)Cc1cccc(Cl)c1)C1CCCC1	848449676	VHWHREVDYMXJLN-UHFFFAOYSA-N	316.810	1.981	50	20	DDGD	
O=C(Cn1cccnc1=O)NNc1ccccc1Br	748066389	OYSHENSXMAXOAW-UHFFFAOYSA-N	323.150	1.149	50	20	DDGD	
CC(C)Oc1cccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n1	843662577	RRZHFOJFJVQGTP-GHMZBOCLSA-N	307.350	1.055	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)[C@H]2COc3ccccc3O2)[nH]1	749813062	WIVJHBFMWKNJOI-CYBMUJFWSA-N	315.285	1.003	50	20	DDGD	
NC(=O)[C@H]1CC[C@H]1C(=O)NNc1ccc(C(F)(F)F)cc1	847600633	VLIVRZVHXYZIQJ-VHSXEESVSA-N	301.268	1.660	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=Cc1ccc(C(=O)O)[nH]1	749814763	RTQZNUMGKDEQDH-UHFFFAOYSA-N	311.301	1.053	50	20	DDGD	
O=C(NCCO[C@H]1CCOC1)NNc1ccc(Cl)nc1	927515744	BFUWFBKWKXWURR-JTQLQIEISA-N	300.746	1.167	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)c2cnn(C)c2)cc1OC	920825587	IZOIIWDXKDIFOU-UHFFFAOYSA-N	302.334	1.591	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CN2CCCC(F)(F)C2)cc1	844378614	QQNVGOMKIOGMEM-UHFFFAOYSA-N	322.315	1.050	50	20	DDGD	
CN(C)C1(CNC(=O)NNc2c(F)cc(F)cc2F)CC1	922981172	MLBQXYHXUCSOLW-UHFFFAOYSA-N	302.300	1.824	50	20	DDGD	
C[C@H](C(=O)NNc1cccc2c1CCCC2)N1C(=O)CCC1=O	748580653	HMMDVQLWULUQBU-LLVKDONJSA-N	315.373	1.546	50	20	DDGD	
Cc1cc(C)cc([C@H](C)NC(=O)NNC(=O)c2ncccn2)c1	841578586	QLMUDSFDANOEHJ-LBPRGKRZSA-N	313.361	1.799	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)c2ccccc2F)c2ccccn12	741172354	TVNYITBFRSAWPH-UHFFFAOYSA-N	312.304	1.857	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@@H]1CCCN2CCCC[C@H]12	847442412	JLAHLQWVTKGFKF-VXGBXAGGSA-N	312.414	1.742	50	20	DDGD	
CSSCCNC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C	868138367	KBIMVTCUPXTQJE-SECBINFHSA-N	324.468	1.390	50	20	DDGD	
COC[C@@H](NC(=O)NNc1ccc(F)c(F)c1)[C@H]1CCCO1	922248003	GOYODBZIKVJFBO-CHWSQXEVSA-N	315.320	1.785	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)N[C@@H](C)C2CCC2)c1	756100084	SOCQRPOJPXEZND-JTQLQIEISA-N	321.377	1.836	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1sc(C)nc1C	853388001	XOQLRERKLIDMBF-OLZOCXBDSA-N	322.434	1.463	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cccn1Cc1ccncc1	751314605	FFSMAORVGGCKIH-UHFFFAOYSA-N	300.362	1.739	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](C)Oc1ccc(F)cc1Cl	854923877	LSWAACVSVRGDEJ-ZETCQYMHSA-N	319.789	1.714	50	20	DDGD	
CCOc1ccc(SCC(=O)NN(C)C(=S)NC)cc1	854927618	DJOKDEBEJDHMTC-UHFFFAOYSA-N	313.448	1.645	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@@](C)(O)Cc1ccccc1)C1CC1	855100766	IQYWDLBUCCNJLE-BZNIZROVSA-N	321.446	1.274	50	20	DDGD	
C[C@@]1(CNC(=O)c2cnn3ncccc23)C[C@@H]1Br	857394949	PWPZPYBJRBDSPK-JQWIXIFHSA-N	309.167	1.633	50	20	DDGD	
C[C@@]1(CN=c2nn[nH]n2-c2ccccc2)C[C@H]1Br	856787234	WYZWJTUXLBKSHA-PWSUYJOCSA-N	308.183	1.670	50	20	DDGD	
N#Cc1ccc(NNC(=O)CCn2ccccc2=O)cc1Cl	753317299	UPCFWSDBATXHBM-UHFFFAOYSA-N	316.748	1.907	50	20	DDGD	
CC(C)OCc1ccc(C(=O)NNC(=O)c2cc[nH]n2)cc1	855362811	VMYHUKJPQFJQGA-UHFFFAOYSA-N	302.334	1.410	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCCO1)C(=O)NNc1ncc(Cl)cn1	857355341	AKSJBOGRIIQROX-KOLCDFICSA-N	314.773	1.547	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cc2ccccn2c1)C1CC1	855100499	DADFFIUUQZWOHS-SNVBAGLBSA-N	302.403	1.847	50	20	DDGD	
C[C@@H](NS(C)(=O)=O)C(=O)NN=CC[C@@H](C)c1ccccc1	755699436	RBAKSEOPCFIHKV-VXGBXAGGSA-N	311.407	1.220	50	20	DDGD	
CCCn1cc(NC(=O)C(=O)NNc2cc(F)ccc2C)cn1	850586387	QXSGDJFJSFDEKZ-UHFFFAOYSA-N	319.340	1.822	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	856881199	PQQWNCYJPAICHW-AXFHLTTASA-N	323.784	1.714	50	20	DDGD	
Cc1nc2c(C(=O)NNC(=O)OCC(F)(F)F)ccnc2[nH]1	856020402	GCPDWKJHOHEJBP-UHFFFAOYSA-N	317.227	1.200	50	20	DDGD	
CCOCC(=O)NN=Cc1ccc(Br)cc1O	853304635	URPSOTWMGUJAMC-UHFFFAOYSA-N	301.140	1.641	50	20	DDGD	
CC1CC(C#N)(C(=O)NNC(=O)COc2ccccc2F)C1	758151419	IAMNHLJDAGHHTO-UHFFFAOYSA-N	305.309	1.292	50	20	DDGD	
C[C@@H]1COC[C@@H]1NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	925992779	RZQJGBIDDAHVTM-LJVYNOFUSA-N	321.421	1.568	50	20	DDGD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NNc1ncccc1[N+](=O)[O-]	759285543	MJEDVHRHNXVTQA-UWVGGRQHSA-N	310.310	1.017	50	20	DDGD	
C[C@H]1CN(C[C@H](CBr)C2CC2)C[C@@H](C)N1CCO	859324920	PLEWGAKMJKASKM-SCRDCRAPSA-N	319.287	1.794	50	20	DDGD	
COc1cccc(-c2nc(C)c(C(=O)NNc3ccncn3)[nH]2)c1	857521003	WPOVTRDLASZBLK-UHFFFAOYSA-N	324.344	1.941	50	20	DDGD	
O=C(NNC(=O)c1cnc2n1CCCC2)c1cccc(Cl)n1	857323761	XXZOTFSGYVVKKD-UHFFFAOYSA-N	319.752	1.343	50	20	DDGD	
CCOC(=O)NN=C(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	853257736	KQAORJBXMHMCPM-NSHDSACASA-N	315.370	1.744	50	20	DDGD	
COC(=O)c1nc(=NC[C@]2(C)C[C@@H]2Br)cc[nH]1	856787223	MUPXDGXVENQYJM-CPCISQLKSA-N	300.156	1.271	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CCN(C)C(=O)C2)c1C	855627969	JNVHIEMHJWFMGT-LLVKDONJSA-N	319.361	1.093	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CSCCc2ccccc21	759205442	NRMLPLBLVXLNBS-GFCCVEGCSA-N	322.430	1.848	50	20	DDGD	
CO[C@H]1Cc2ccc(NC(=O)NNC(=O)CC(C)C)cc2C1	758059278	YFKCIPZOODHFFH-AWEZNQCLSA-N	305.378	1.999	50	20	DDGD	
O=C(NNC(=O)[C@@H]1Cc2ccc(F)cc21)OCC(F)(F)F	856020520	KAYKYOIHHGDPRZ-SECBINFHSA-N	306.215	1.785	50	20	DDGD	
CCCNC(=O)/C(C#N)=C\c1ccccc1OCCC(=O)O	864086101	BKRVSIONMQBTOH-RAXLEYEMSA-N	302.330	1.973	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNC(=S)N[C@@H](C)C2CC2)n1	869218369	LWRQIJOVORJHTE-ONGXEEELSA-N	309.439	1.121	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CC2COC2)cc1	769675114	MKVXXLIPKULGHL-LLVKDONJSA-N	322.361	1.037	50	20	DDGD	
C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=NNC(=O)c1cn[nH]c1	863154483	XHSVAWHTIZPLHW-SNVBAGLBSA-N	321.381	1.772	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H]1CCO[C@H](C(C)C)C1	932429993	UCYBNRRRMNSIHL-WFASDCNBSA-N	320.389	1.907	50	20	DDGD	
O=C(Cc1csc2nccn12)NNC(=O)c1ccccc1O	767822480	AXXIQOAMBLZSBE-UHFFFAOYSA-N	316.342	1.105	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNc1nc2ccccc2[nH]1	768504114	LLEPUFIJJRSJRU-UHFFFAOYSA-N	317.393	1.949	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CCC(O)CC2)cc1C	761777784	MUVMGYLQZMQZEU-UHFFFAOYSA-N	303.362	1.649	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(NC2CC2)nc1	764470186	WLQMZGKXRDEBOU-UHFFFAOYSA-N	300.322	1.211	50	20	DDGD	
O=C(NNC(=O)c1cnco1)c1cc(-c2cccs2)[nH]n1	760171459	CLEGXYHUCSAJCR-UHFFFAOYSA-N	303.303	1.201	50	20	DDGD	
CC(C)(C)c1cnc(NC(=O)c2cc(B(O)O)ccc2F)s1	863874227	RLIHXVBRQYQPCV-UHFFFAOYSA-N	322.170	1.512	50	20	DDGD	
Cc1ccc(-n2cnnc2)c(C(=O)NN[C@@H](C)C(F)(F)F)c1	862317931	MJMUKNTZJVJYGN-VIFPVBQESA-N	313.283	1.761	50	20	DDGD	
COc1nccnc1NNC(=O)C(=O)Nc1cccc(C)c1C	766268592	BGGVTWZJGBOEAL-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
CC(C)n1ncc2cc(NC(=O)NNc3cnccn3)cnc21	769958983	XGFLYWDDRBIGSZ-UHFFFAOYSA-N	312.337	1.951	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H](C)CN2CCOCC2)c(C)s1	760240382	DYEMYNZPCVZNEF-NSHDSACASA-N	309.435	1.783	50	20	DDGD	
CC(C)[C@@H]1CC(=NNC(=O)CS(C)(=O)=O)c2ccccc21	863186717	JDCZUDYVJISPJK-ZDUSSCGKSA-N	308.403	1.695	50	20	DDGD	
CN(C)c1cccc(NC(=O)NNC(=O)c2ccccn2)n1	764727959	LTBPJKKKZDNDTK-UHFFFAOYSA-N	300.322	1.009	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N[C@@H]2C[C@H]2C(F)(F)F)c1	868210650	QXXIHQZHOBWZAF-NXEZZACHSA-N	312.251	1.453	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc(CCN(C)C)cc1)C(F)(F)F	862320230	GTEZXBNHQODSAD-SNVBAGLBSA-N	303.328	1.976	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)C2=CCCC2)c1	761563500	NYXPLSGPIOQRLQ-UHFFFAOYSA-N	302.330	1.410	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NN=C1CCN2CCC[C@@H]12	765562428	HDVPAZSZSQBGES-RISCZKNCSA-N	305.353	1.933	50	20	DDGD	
CCO[C@@H]1COCC[C@@H]1NC(=O)NNc1cccc(C#N)c1	760128717	WEZKQFCISRYUEQ-UONOGXRCSA-N	304.350	1.378	50	20	DDGD	
CCCNC(=O)NNC(=O)c1c[nH]nc1-c1c(F)cccc1F	769146189	CUHBLYLSZJIMJJ-UHFFFAOYSA-N	323.303	1.709	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cccc(C(C)C)n1	769768191	GQJHOWJCKNKFHJ-UHFFFAOYSA-N	312.464	1.677	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NNCC(F)(F)C(F)(F)F	863101698	DILGSYPWJHSIMA-RNFRBKRXSA-N	312.242	1.342	50	20	DDGD	
O=C(NN=C1CCC(O)CC1)c1csc(N2CCOCC2)n1	761769379	LPLXJUNONDUSFA-UHFFFAOYSA-N	324.406	1.000	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12	762948665	UIRARKRGBPZVEM-UHFFFAOYSA-N	304.306	1.883	50	20	DDGD	
COC(=O)c1cncc(C(=O)NNc2nc3ccccc3[nH]2)c1	774336522	JLHWDPHZCKIPJS-UHFFFAOYSA-N	311.301	1.501	50	20	DDGD	
COC(=O)C(=O)NNC(=O)NCCC12CC3CC(CC(C3)C1)C2	1116182094	UFMNLPHLOPUKHR-UHFFFAOYSA-N	323.393	1.096	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)[C@@H]2CC[C@@H](C)C2)C[C@@H](C)O1	776448913	ZDFITFLIHKEOMM-YIYPIFLZSA-N	311.426	1.069	50	20	DDGD	
N#CSCCCNC(=O)c1ccc(N2CCNC2=O)cc1	773589575	ZWZXGYDLPAKJOJ-UHFFFAOYSA-N	304.375	1.550	50	20	DDGD	
C[S@](=O)c1ccc(C=NNC(=O)Cc2ccncc2)cc1	1116202284	GYVWANXMZKMRFY-NRFANRHFSA-N	301.371	1.512	50	20	DDGD	
CC(=O)N1CCC(=NNC(=O)c2cccn2C)c2ccccc2C1	778540870	VMTIWZXOSDWMMN-UHFFFAOYSA-N	324.384	1.911	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC2(C(F)(F)F)CCC2)n1	879379530	VWLBOJYVWUFEKU-UHFFFAOYSA-N	316.283	1.819	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCOc1ccc(Cl)cc1	875012387	KKJXKYLPADGRNI-UHFFFAOYSA-N	301.730	1.631	50	20	DDGD	
COCC1(C(=O)NNC(=S)Nc2ccc(N(C)C)cc2)CC1	874952759	GIWFCPYRUOXCAJ-UHFFFAOYSA-N	322.434	1.497	50	20	DDGD	
O=C(NN=C1CCCOCC1)C1CCN(c2ncccn2)CC1	770607058	QTCOVSHGCDZGJL-UHFFFAOYSA-N	317.393	1.366	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCc1ccc(F)c(F)c1F	875482383	DIOKKCCGSLAXAQ-UHFFFAOYSA-N	305.256	1.559	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@@H](C)C(C)(C)c1ccccc1	775323125	ZWVRIEJPKUENBY-STQMWFEESA-N	305.422	1.888	50	20	DDGD	
COC(=O)C(C)(C)CCNS(=O)(=O)CC(C)(C)CCl	885434403	CJERRSSSSNVCFN-UHFFFAOYSA-N	313.847	1.760	50	20	DDGD	
CC[C@H](COCC(F)(F)F)NS(=O)(=O)CCCCl	882227029	ZBRYFHFONKNLTD-MRVPVSSYSA-N	311.753	1.892	50	20	DDGD	
O=C(NC[C@@H]1C=CCC1)NNC(=O)[C@@H]1COc2ccccc2O1	883778802	IQJMCOMNYVIPSQ-RISCZKNCSA-N	317.345	1.123	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](C(C)C)N1C[C@H](C)O[C@H](C)C1	887142845	CGQXKMALAXKMIW-IJEWVQPXSA-N	323.437	1.071	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2CCOCC2)c2c1CCC2	883070938	JOTUWHVEERQQST-UHFFFAOYSA-N	302.374	1.671	50	20	DDGD	
O=C(NN=Cc1cc(F)cc(Cl)c1)[C@@H]1CCS(=O)(=O)C1	776723418	ANKHQIZWQHQPBR-SECBINFHSA-N	318.757	1.364	50	20	DDGD	
C[C@H](c1ccccc1)[C@H](CO)NC(=O)NNC(=O)C(C)(C)C	778660685	NQMXKINGHQBEAK-YPMHNXCESA-N	307.394	1.528	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)C1CCOCC1	883064054	NJPKTINATBJAJP-GHMZBOCLSA-N	324.327	1.642	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2c[nH]nc2-c2ccsc2)n[nH]1	780208756	AKCRJBXTMTYVHI-UHFFFAOYSA-N	314.374	1.863	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccc(Cl)nc2)c(O)n1	784869656	DFMJXABRRVLWSM-UHFFFAOYSA-N	321.724	1.226	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)O[C@H]1CCN(C2CCOCC2)C1=O	786675417	IPIAHAUGTBTGPG-UQTJOTSZSA-N	304.346	1.169	50	20	DDGD	
CC(C)CSCCCNC(=O)NNC(=O)c1cccnn1	883537523	UWNDVAXIWIYZJK-UHFFFAOYSA-N	311.411	1.200	50	20	DDGD	
O=C(NNc1ncncc1Cl)N[C@H]1CCN(CC2CC2)C1	780992089	YAWBSCNMBCYOLK-JTQLQIEISA-N	310.789	1.240	50	20	DDGD	
O=C(CCCN1C(=O)c2ccccc2C1=O)NN=c1cc[nH]cc1	780757199	VRNHYFTUXVDAEY-UHFFFAOYSA-N	324.340	1.023	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@@H]1CCOC2(CCC2)C1	888868946	SIYPQNOZNUHFHE-CYBMUJFWSA-N	320.364	1.865	50	20	DDGD	
COC(=O)COc1ccc(C=NNC(=O)c2cc(C)[nH]n2)cc1	782229998	WIOQJBLHZKHMDG-UHFFFAOYSA-N	316.317	1.034	50	20	DDGD	
Cc1nc(N2CCOCC2)sc1C(=O)NN=C1COC[C@@H]1C	884395080	UDJBSTONLYWIGG-VIFPVBQESA-N	324.406	1.040	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccccc1SCCC(N)=O	782569062	AOXHVGOSDHBNNF-UHFFFAOYSA-N	324.406	1.463	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@H](F)C(C)C)o1	784361006	SJJZRUBZCIOOTO-CYBMUJFWSA-N	313.373	1.877	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1cnn(C(C)C)c1C	787158143	RIXBDRMJTOZFOA-CYBMUJFWSA-N	310.398	1.664	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cnc(-c2ccccc2)[nH]1	899995155	JZFFNVMVEWWOSQ-UHFFFAOYSA-N	317.418	1.984	50	20	DDGD	
C[C@H]1CCCC[C@H]1C=NNC(=O)CNC(=O)c1cccnc1	783853927	IKTBQSRXHAMXMA-STQMWFEESA-N	302.378	1.740	50	20	DDGD	
COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NNC(=O)C(C)C)c1	788086523	JPDIJZWZGHESKV-YPMHNXCESA-N	306.362	1.611	50	20	DDGD	
CCn1cc(CC(=O)NNc2ncnc3ccsc23)cn1	780927019	PXWIFCZWXBMAFZ-UHFFFAOYSA-N	302.363	1.594	50	20	DDGD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NNc1ncncc1Cl	781825691	OZEIIKGCGOENMI-IUCAKERBSA-N	300.746	1.157	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cccc(F)c2F)ncn1	783944334	JPAFTGMHDLMFMU-UHFFFAOYSA-N	307.260	1.145	50	20	DDGD	
Cc1coc(C)c1C(=O)NNC(=O)COc1ccccc1F	785683503	CMUFVQPMLNPFRR-UHFFFAOYSA-N	306.293	1.876	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2sc(C)nc2C)c(O)c1	895793524	YQTNASVDRLVZLM-UHFFFAOYSA-N	319.386	1.778	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cccc2c1OCCCO2	899998200	HYARUGVFRQREFV-UHFFFAOYSA-N	323.418	1.755	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H](c1ccncc1)C1CC1	899002596	UDJSBXXRLNRJRW-BPNCWPANSA-N	318.377	1.288	50	20	DDGD	
C=C(CBr)COC(=O)c1ccc(C(=O)OC)cn1	795378076	NFCCRUXFULLLHH-UHFFFAOYSA-N	314.135	1.976	50	20	DDGD	
COc1coc(C(=O)NNC(=O)Nc2ccccc2C)cc1=O	798311978	NPQSIIRWEQQKFD-UHFFFAOYSA-N	317.301	1.423	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2C)n1	794089141	CMRTVVJGOBFOCL-UHFFFAOYSA-N	314.301	1.681	50	20	DDGD	
COc1coc(C(=O)NNc2cc(F)c(F)cc2F)cc1=O	798982180	FTAZLIFPRXXTBF-UHFFFAOYSA-N	314.219	1.823	50	20	DDGD	
O=C(CN1CC[C@@H]2OCCC[C@H]2C1)NNC(=O)c1cccs1	1319375133	QTJHPLWDVZZIQS-RYUDHWBXSA-N	323.418	1.010	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2c[nH]c(Br)c2)n1	1318843921	SZEGTTFVDTZMIQ-UHFFFAOYSA-N	310.155	1.941	50	20	DDGD	
O=C(CCc1cncs1)NNC(=O)c1n[nH]c2c1CCCC2	1324415716	SUQXAANSRMVVGF-UHFFFAOYSA-N	319.390	1.139	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC1(F)F)c1ccc(Br)cc1	1327931036	PEBBTAGABCWPIW-MRVPVSSYSA-N	319.105	1.865	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1occ(C)c1C	1323497114	IDVFCMLGCAIRBF-UHFFFAOYSA-N	317.345	1.778	50	20	DDGD	
Cc1coc(C)c1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1322957559	JXLBXXLMQZQIDG-UHFFFAOYSA-N	302.334	1.573	50	20	DDGD	
Cc1c(C(=O)NNc2ncccc2F)cnn1-c1ccncc1	1322799639	PHQRIJSYTWZHQN-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@H](OC)C2CC2)cc1	1324736674	PBDDRLSZLFZKAH-ZDUSSCGKSA-N	307.350	1.064	50	20	DDGD	
CCCc1n[nH]cc1C(=O)NNC(=O)c1cccc2ncccc12	1321351215	YTJNTSJYVHTCKL-UHFFFAOYSA-N	323.356	1.985	50	20	DDGD	
O=C(NN=Cc1cccc(Br)n1)C1CCOCC1	1333664281	GGCFOZODBXMTAH-UHFFFAOYSA-N	312.167	1.721	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccc(-n2cnc3ccccc32)cc1	1330772676	DVTIAGBNIUSXFY-UHFFFAOYSA-N	322.324	1.649	50	20	DDGD	
CN(CCCF)c1nnnn1C[C@]1(C)C[C@H]1Br	1335162824	YNIWPQHTQZKQCG-SCZZXKLOSA-N	306.183	1.642	50	20	DDGD	
CCn1nc(C(C)C)cc1C(=O)NNC(=S)N[C@H](C)C1CC1	1330879473	MGADXBOUNYOPFK-SNVBAGLBSA-N	323.466	1.934	50	20	DDGD	
CO[C@H]1CCC[C@H]1C(=O)NNC(=O)COc1ccc(C)cc1	1335987218	RMJFKHFBYSMKIC-KGLIPLIRSA-N	306.362	1.336	50	20	DDGD	
Cc1c(C(F)(F)F)n[nH]c1C(=O)NNC(=S)NC(C)C	1336772340	LHLSTUCUNMRLEZ-UHFFFAOYSA-N	309.317	1.254	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)N2C[C@H]3C=C[C@H]2C3)C[C@H]1Br	1338097472	LHCANWXWMPPTQZ-XHSYRHOGSA-N	313.195	1.063	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1c[nH]c(Br)c1	1344352271	RFIRXVPUXGGQAU-QMMMGPOBSA-N	316.155	1.107	50	20	DDGD	
Cc1cc(C(=O)NNc2ccn(C)n2)c2cnn(C(C)C)c2n1	1344049133	NGRPIMOCCPXCPQ-UHFFFAOYSA-N	313.365	1.811	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CC(C1CC1)C1CC1	1342524564	GZJXWZOJBGQSMW-UHFFFAOYSA-N	312.410	1.749	50	20	DDGD	
C[C@H]1CCc2nc(C=NNC(=O)N3CCOCC3)sc2C1	1343882481	ROTRBLIYUFFRKN-JTQLQIEISA-N	308.407	1.644	50	20	DDGD	
O=C(O)/C=C\c1ccc(C(=O)NNC(=O)NCc2ccco2)o1	1601878172	VIZUMAWGAYEVQZ-XQRVVYSFSA-N	319.273	1.115	50	20	DDGD	
O=C(Cn1cc(C(=O)O)cn1)NNc1ccc(F)c(F)c1F	1601379545	XFTVKIIAUVCTOT-UHFFFAOYSA-N	314.223	1.142	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(/C=C\C(=O)O)o2)o1	1600341203	SHOQYMAWOHIQQX-DAXSKMNVSA-N	304.258	1.354	50	20	DDGD	
C[C@@H](CC(=O)O)CC(=O)NNC(=O)CCCc1cccs1	1604105740	DENKELMYIKQBAV-SNVBAGLBSA-N	312.391	1.719	50	20	DDGD	
O=C(O)c1cccc(C(=O)NNCC(F)(F)C(F)(F)F)c1	1602433178	FKPDKCMJLZLZBD-UHFFFAOYSA-N	312.194	1.817	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H]2C[C@@H]2C(C)C)o1	1603407205	QOLZVRKNDWWNMN-BDAKNGLRSA-N	319.369	1.713	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccccc1C(=O)O)c1ccccc1	1601554267	SXBSTSIDEPRLHI-UHFFFAOYSA-N	320.326	1.008	50	20	DDGD	
C[C@@H](CC(F)(F)F)C(=O)NNc1cccc(-c2nn[nH]n2)c1	1603458109	LXYKDPKWCLGERR-ZETCQYMHSA-N	314.271	1.898	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1cnccc1C	1549322417	YZPREHVNOYRZNB-DZGCQCFKSA-N	302.378	1.093	50	20	DDGD	
CC[C@@H]1COCC1=NNC(=O)[C@H]1CCCO[C@@H]1c1ccnn1C	1549312121	ALINYRYDUFPQDR-XUJVJEKNSA-N	320.393	1.416	50	20	DDGD	
O=C(NCC(Cl)Cl)c1cnn(C[C@@H]2CCCCO2)c1	1553243755	VSAIJIQRHOIKHS-JTQLQIEISA-N	306.193	1.986	50	20	DDGD	
CSSCCNC(=O)c1cnc(C2CCNCC2)o1	1579384563	DJCISVQIFQVOKU-UHFFFAOYSA-N	301.437	1.883	50	20	DDGD	
O=C(NNc1ncccc1Br)[C@H](F)[C@H]1CCNC1	1580743037	NUUHCPUDUBAQSY-IONNQARKSA-N	317.162	1.235	50	20	DDGD	
NC[C@H]1CCCc2ccc(C(=O)NNC(=O)CC3CC3)cc21	1580264043	BPOUWKKIWLDKFK-CQSZACIVSA-N	301.390	1.626	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cc(-c2nn[nH]n2)ccc1F	1589536212	GTONXBXTBSIQOZ-UHFFFAOYSA-N	321.316	1.205	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)C[C@H](C)n1cccn1	1599377149	MIYLWPOGJHNLQN-JTQLQIEISA-N	318.333	1.684	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1cncc(O)c1	1599376535	OSEPJYZVDAVWKS-UHFFFAOYSA-N	303.274	1.251	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1ccc(CF)cc1	1593162918	DHKHSISZNGSAPX-UHFFFAOYSA-N	313.296	1.488	50	20	DDGD	
CCOc1cccnc1C(=O)NNc1cccc(C(=O)O)c1	1597185807	BFLSZJPRIOMEAJ-UHFFFAOYSA-N	301.302	1.935	50	20	DDGD	
CCOC(=O)NN=Cc1ccc(F)c(-c2nn[nH]n2)c1Cl	1590766966	DAMUBIHBYUCAAS-UHFFFAOYSA-N	312.692	1.739	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NN=Cc1c[nH]c2ccc(C(=O)O)cc12	1776102475	QVUIBMRTSFOZGC-OCCSQVGLSA-N	315.329	1.741	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1ccc(C(C)(C)C)s1	161277765	CKCOMZCPZWZRJC-UHFFFAOYSA-N	319.452	1.948	50	20	DDGD	
Cc1cnccc1CCNC(=O)NNC(=O)c1ccccc1O	163942832	ZWYZDXRBYGTEFF-UHFFFAOYSA-N	314.345	1.282	50	20	DDGD	
Cc1cc(C)n2nc(C(=O)NNc3ccc(C#N)cc3)nc2n1	155545449	PEIDPMQHFKTGBH-UHFFFAOYSA-N	307.317	1.370	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCc2ccc(F)cc2F)[nH]n1	154208766	BCQVXYIFCBLUGM-UHFFFAOYSA-N	308.288	1.390	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1c(F)cc(F)cc1F	154484487	MKTBJAPIWIWHNZ-UHFFFAOYSA-N	309.247	1.503	50	20	DDGD	
Cc1cc(NC(=O)CN(C)S(=O)(=O)CCCCCl)no1	163418267	WZMKDKFIPGGTNG-UHFFFAOYSA-N	323.802	1.202	50	20	DDGD	
Cc1ccnn1CC(=O)N(C)NC(=O)OCc1ccccc1	862288608	HRBNTBUNQFISGK-UHFFFAOYSA-N	302.334	1.491	50	20	DDGD	
O=C(CCl)Nc1ccc2nc(CN3CCOCC3)[nH]c2c1	1887511931	ZSQDMWQSCJCPPM-UHFFFAOYSA-N	308.769	1.572	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)c1ccc(O)nc1	170899083	MEKBQEUFYJBODK-UHFFFAOYSA-N	310.313	1.203	50	20	DDGD	
Cc1csc(C(=O)O)c1S(=O)(=O)NCC(Cl)Cl	310081413	JNZLODNKDMZIDQ-UHFFFAOYSA-N	318.203	1.837	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccccc2F)cc1S(N)(=O)=O	178903014	YJXVOSHFLRIBFM-UHFFFAOYSA-N	323.349	1.538	50	20	DDGD	
CC(C)CCO[C@H](C)C(=O)NNC(=O)CCc1ccccc1O	106286796	BDOZTTXGSBAZDW-CYBMUJFWSA-N	322.405	1.923	50	20	DDGD	
C[C@H]1C[C@H]1C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1	170969105	VISRBSBWERMSFE-GZMMTYOYSA-N	302.309	1.633	50	20	DDGD	
CCn1cc(NC(=O)C(=O)NNc2ccc3ccccc3n2)cn1	119242172	VDYVRQVJLNRPKS-UHFFFAOYSA-N	324.344	1.533	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2ccc3[nH]cnc3c2)c1	22629888	MOZLRMFGKBQXEK-UHFFFAOYSA-N	323.356	1.704	50	20	DDGD	
CC(=O)Nc1ccc(CC(=O)NNc2ccc(Cl)nn2)cc1	118503772	OGWHWNOPXDMCFP-UHFFFAOYSA-N	319.752	1.774	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCc2ccco2)c(F)c1	65177165	UZQCWPZFOLFFPK-UHFFFAOYSA-N	307.281	1.572	50	20	DDGD	
CC(=O)CCc1ccc(OCC(=O)NNc2ncccn2)cc1	63241734	PFVLSBIKLMOJER-UHFFFAOYSA-N	314.345	1.520	50	20	DDGD	
CCNC(=O)NNC(=O)CCCc1nnc(-c2ccccc2)o1	65189742	RXSILJQGXSDIIC-UHFFFAOYSA-N	317.349	1.410	50	20	DDGD	
CC(=O)N1CCC[C@@H](C(=O)NNc2ccccc2[N+](=O)[O-])C1	61470688	NUFNSGHMHWFVEK-LLVKDONJSA-N	306.322	1.296	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)c1cc([N+](=O)[O-])c[nH]1	24120229	LEYNYPROYZOIMP-UHFFFAOYSA-N	314.257	1.744	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@H]2CCC[C@@H](C)C2)c1O	175619098	ZZPWPMGOGJXQOO-MNOVXSKESA-N	306.362	1.988	50	20	DDGD	
COC[C@@H](C)CNC(=O)NNC(=O)c1cccc2ncccc12	171604850	PSFBBELQNLARDB-NSHDSACASA-N	316.361	1.461	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)Cc1ccc(F)cc1F	120827993	UEEXWTSSMPDLMM-UHFFFAOYSA-N	301.362	1.801	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCc2nc3ccccc3[nH]2)o1	175830567	FMFMQELNZDVYPP-UHFFFAOYSA-N	312.329	1.858	50	20	DDGD	
O=C(CCn1cccn1)NNc1ccc([N+](=O)[O-])cc1Cl	125077389	GPILMMWVINLQOB-UHFFFAOYSA-N	309.713	1.978	50	20	DDGD	
O=C(CCc1nc(-c2ccsc2)no1)NNC(=O)NC1CC1	64429269	TWTILCCVFYQFAY-UHFFFAOYSA-N	321.362	1.224	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCCc1ccc(OC)cc1	61431710	VXWKUDIQINBTNR-UHFFFAOYSA-N	323.393	1.385	50	20	DDGD	
N#Cc1cc(F)c(C(=O)NNC(=O)NCc2ccco2)c(F)c1	127714987	OXXHCPYJEWYZFT-UHFFFAOYSA-N	320.255	1.574	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)C12CC3CC(CC(C3)C1)C2	129170338	PVAXIXZXNPHOCD-UHFFFAOYSA-N	313.401	1.988	50	20	DDGD	
CCCCNC(=O)NNC(=O)CNC(=O)CC1CCCCC1	126826926	AJYCCVTVHPSNIF-UHFFFAOYSA-N	312.414	1.204	50	20	DDGD	
CC[C@@H](C)[C@H](C)NCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	183060418	HGSXMYUCXBTZHO-MNOVXSKESA-N	322.365	1.380	50	20	DDGD	
C[C@@H]1CCSCCN1C(=O)NNC(=O)Cc1cccnc1	189866660	NFHILEPWSVQXSB-LLVKDONJSA-N	308.407	1.192	50	20	DDGD	
O=C(CN1CC[C@@H](c2ccccc2)C1)NNC(=O)c1ccccc1	123356601	CLVPGYPAJPITGO-QGZVFWFLSA-N	323.396	1.937	50	20	DDGD	
C[C@H](O)CC(C)(C)CNC(=O)NNC(=O)c1ccccc1F	74550766	CCNVCCYMMIJGRH-JTQLQIEISA-N	311.357	1.567	50	20	DDGD	
COCCN(C)CCCNC(=O)NNc1cccc(C#N)c1	121419677	AZWUSUMBIVBYFH-UHFFFAOYSA-N	305.382	1.153	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@@H]1CCc2cn[nH]c2C1	79287144	MMAKMJSHSNDVBT-LLVKDONJSA-N	316.336	1.044	50	20	DDGD	
CC(=O)Nc1nc(C(=O)NNc2nnc(C3CC3)s2)cs1	184455894	VNUNKMMCUAETHI-UHFFFAOYSA-N	324.391	1.587	50	20	DDGD	
O=C(NNc1cccnn1)N[C@H]1CCCN(c2ccccc2)C1	77601887	PQCKBTHHHCIVHS-ZDUSSCGKSA-N	312.377	1.772	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@H](C)c2nc(C)cs2)n1	186806470	SBFLTDQWSZYURM-QMMMGPOBSA-N	322.394	1.680	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc2ncccc2c1	124642611	VIUXSGMTNBUZAI-SNVBAGLBSA-N	314.345	1.367	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccnc(OC2CCCCC2)c1	180404034	MEMYHLCCIDGFKD-UHFFFAOYSA-N	306.366	1.709	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(C)nc(Cl)c2)nc1	133504237	FJDFLTPZQGXPDP-UHFFFAOYSA-N	320.736	1.982	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNC(=O)c1c[nH]c2ccccc12	188744853	DORQIIRJPYXIKG-UHFFFAOYSA-N	303.318	1.271	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC[C@@H]2CCCCO2)s1	181082232	HOBJTKABYOKIRX-NSHDSACASA-N	311.407	1.960	50	20	DDGD	
CCC(C)(CC)C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1	138239086	UNTKYWXKXYOOEP-STQMWFEESA-N	313.442	1.459	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCc1ccoc1	47088998	BAJCHNNUACYWJF-JTQLQIEISA-N	321.308	1.717	50	20	DDGD	
CCCCOCCNC(=O)NNC(=O)c1cccc(N(C)C)c1	195284704	AGIBEMIMKVXBPL-UHFFFAOYSA-N	322.409	1.513	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1cnc(S)[nH]1	193053897	XUVJKCPBNBSIEB-UHFFFAOYSA-N	301.331	1.255	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cnc([C@@H]3CCCO3)s2)[nH]n1	89777500	SANNARDOKMXJAC-VIFPVBQESA-N	321.362	1.101	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CN2Cc3ccccc3C2=O)n1	264321631	RJJSPKOSMBPOLH-UHFFFAOYSA-N	311.345	1.193	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CCCCN2C(=O)C(C)C)nc(C)n1	265507843	FILRROUZQIWSQJ-CYBMUJFWSA-N	319.409	1.574	50	20	DDGD	
COc1cccc([C@H](C)CC(=O)NNC(=O)N2CCOCC2)c1	267806629	QUQDZMPDENPPMR-GFCCVEGCSA-N	321.377	1.262	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2CCc3nc(C)ncc3C2)nn1	369082629	AFWAKSMURUQKFZ-GFCCVEGCSA-N	313.365	1.067	50	20	DDGD	
CCCC[C@@H](COC)NC(=O)NNC(=O)c1ccccc1O	265586677	SJWQIKAQWQIBNI-NSHDSACASA-N	309.366	1.541	50	20	DDGD	
O=C(NCc1cccc2c1OCCCO2)NNC(=O)C1CCC1	269256572	CCBOSFRZCWODPK-UHFFFAOYSA-N	319.361	1.478	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H](C)NC(=O)CC(C)(C)C	275148853	OYVJOJVZHGEYHK-LBPRGKRZSA-N	319.405	1.697	50	20	DDGD	
CCCc1nc(C(=O)NNC(=O)c2cccc(N(C)C)c2)co1	273451821	CUGVGQWHQMNBHS-UHFFFAOYSA-N	316.361	1.768	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1C(=O)NNc1nc2ccccn2n1	276677779	BQCXSWNGNOXRGB-UHFFFAOYSA-N	313.365	1.517	50	20	DDGD	
COC(=O)c1[nH]c(C)c(C(=O)NNc2cccc(OC)n2)c1C	272568351	VJHLJAJEJBWPMI-UHFFFAOYSA-N	318.333	1.579	50	20	DDGD	
COCCCn1ccc(NC(=O)NNC(=O)OC(C)(C)C)n1	274153424	FCOLVHGMWCKVSE-UHFFFAOYSA-N	313.358	1.481	50	20	DDGD	
NC(=O)CCCC(=O)NNC(=O)c1c(Cl)cccc1Cl	278540335	CNXOVLJRDPZXJV-UHFFFAOYSA-N	318.160	1.410	50	20	DDGD	
CC(C)[C@H]1C[C@H](CC(=O)NNC(=O)c2cnn(C)c2)CCO1	273204834	OQECXXRZDRHVGW-DGCLKSJQSA-N	308.382	1.022	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@H](C)NC(C)(C)CC)n1	275036455	QFBGWCBNMXJGNJ-LBPRGKRZSA-N	322.457	1.933	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C(=O)N1CCC[C@H](C)C1	288509024	BUKCTUXXRKZHAK-JTQLQIEISA-N	320.349	1.605	50	20	DDGD	
CCC(CC)N1C[C@H](C(=O)NNc2ncccc2F)CC1=O	285888184	GRYXYAOCPLBNMM-SNVBAGLBSA-N	308.357	1.701	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C	371102890	YDTGHXULIXXFGO-MXWKQRLJSA-N	313.398	1.929	50	20	DDGD	
CC1(C)CC[C@@H]1NC(=O)NNC(=O)[C@H]1COc2ccccc2O1	287520216	WXYSHLFDJVXJEC-OLZOCXBDSA-N	319.361	1.345	50	20	DDGD	
O=S(=O)(CBr)N[C@@H]1CCCC12CCOCC2	374449920	QMKMRQDQILDBSA-SECBINFHSA-N	312.229	1.608	50	20	DDGD	
Cc1nc(Cl)ccc1S(=O)(=O)NNC(=O)C1CCC1	288670114	ZHFFMGYKVUKJMT-UHFFFAOYSA-N	303.771	1.153	50	20	DDGD	
CCOC1(C(=O)NNC(=O)COc2ccc(C)cc2)CCCC1	284297579	ODOSHLGZLAZHLO-UHFFFAOYSA-N	320.389	1.871	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)C2=COCCO2)cc1C	291379757	ZHQJJGXOLFDBES-UHFFFAOYSA-N	306.318	1.503	50	20	DDGD	
CC(C)c1nnc2ccc(NC(=O)NN=c3cc[nH]cc3)cn12	801741864	YBTLNGSQDCDWCJ-UHFFFAOYSA-N	311.349	1.818	50	20	DDGD	
CN(C)[C@H]1CCC[C@H](NC(=O)NNc2ncc(F)cc2F)C1	297773208	CYZPYKAHPZZHPV-QWRGUYRKSA-N	313.352	1.859	50	20	DDGD	
O=C(CSC1CC1)NNC(=O)c1cccc2ncccc12	294719026	UWTAFXSTNUSLJJ-UHFFFAOYSA-N	301.371	1.891	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)c1ccc2ccccc2n1)C1CC1	290910158	GEXYHYITXAXFHT-QGZVFWFLSA-N	313.357	1.811	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@H]1COc2ccccc2O1)C(C)(F)F	292707056	ODPLYZCWBYXYEL-LDYMZIIASA-N	314.288	1.265	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNc1ccc(C(=O)OCC)c(C)c1	291366152	YLJBACDFYCNHDH-INIZCTEOSA-N	306.362	1.942	50	20	DDGD	
C[C@@H](CBr)CN1CCC[C@@H](c2nc(O)n[nH]2)C1	808777284	JGLIPONJBYDJOD-DTWKUNHWSA-N	303.204	1.721	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@H]2CCCCO2)cnn1CC(C)C	295330566	HGMJOBCGNZPVHP-CYBMUJFWSA-N	308.382	1.178	50	20	DDGD	
NC(=O)c1cc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)co1	802017097	YPCDJIQVBLLNCL-UHFFFAOYSA-N	322.708	1.498	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802124109	CORNQWSZCXESOR-HNNXBMFYSA-N	308.382	1.720	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)C2CCC(O)CC2)cc1	802125351	UNIAKNKRWVCQIN-UHFFFAOYSA-N	320.393	1.456	50	20	DDGD	
CN(NC(=O)CNC(=O)c1cccc(O)c1)C(=O)OC(C)(C)C	297440982	ZUCORHSWGBAUCL-UHFFFAOYSA-N	323.349	1.020	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2cccc([N+](=O)[O-])c2C)n1	293352365	KXOQAXWGGOHXRM-UHFFFAOYSA-N	304.310	1.580	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cccnc1C(F)(F)F	294491245	CEFDXQCJIDMUBV-QMMMGPOBSA-N	303.240	1.040	50	20	DDGD	
Cc1nn(C)c(Cl)c1C(=O)NNC(=O)Nc1ccccc1	801990431	JSIWKDGRZXJGQW-UHFFFAOYSA-N	307.741	1.848	50	20	DDGD	
C[C@H](CC(=O)NNc1ncncc1F)NC(=O)C1CCCCC1	294092498	RJJHBMWACZLEII-SNVBAGLBSA-N	323.372	1.534	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)N(C)C)CCOCC1	299357029	HWMRIKVJKWNKBR-UHFFFAOYSA-N	305.378	1.346	50	20	DDGD	
Cc1ccnc(NC(=O)NNc2ccc(-n3ccnc3)nn2)c1	806406102	UIGYRLBEQDDDAZ-UHFFFAOYSA-N	310.321	1.514	50	20	DDGD	
O=C(NNc1ncncc1F)c1cc(-c2cccnc2)on1	817079932	BZCWQDKUTNLRAC-UHFFFAOYSA-N	300.253	1.423	50	20	DDGD	
CCn1nncc1C(=O)NNC(=O)c1ccc(Cl)cc1OC	814842970	WVEXSBDJQQREAC-UHFFFAOYSA-N	323.740	1.035	50	20	DDGD	
COCCN1[C@H]2CC[C@H]1CC(=NNC(=O)Cc1cccnc1)C2	814838026	WAZCFXWPDRPUEE-HOTGVXAUSA-N	316.405	1.370	50	20	DDGD	
CC(C)n1cnnc1SCC(=O)NNc1ncncc1F	817069863	AOMCCYOAHSJZMU-UHFFFAOYSA-N	311.346	1.024	50	20	DDGD	
O=C(CSc1ccc([N+](=O)[O-])cc1)NNc1ncncc1F	817079089	HQFDBBBZQMKCIP-UHFFFAOYSA-N	323.309	1.759	50	20	DDGD	
CC(C)(CC(=O)NNC(=O)CNC(=O)c1cccs1)C1CC1	815227649	FZJKVFWYPWVMDG-UHFFFAOYSA-N	323.418	1.452	50	20	DDGD	
COC(=O)c1cc(NNC(=O)Cc2ccn(C)n2)ccc1C	816690550	VNHASHOWCBTGLE-UHFFFAOYSA-N	302.334	1.201	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)c2cc3ccccc3o2)n1C	811644342	VAFOQKKOUYLNNM-UHFFFAOYSA-N	311.345	1.996	50	20	DDGD	
Cc1cnn(C)c1C=NNC(=O)CSc1ccccc1O	814969990	XBKJSKCDMUUJCB-UHFFFAOYSA-N	304.375	1.677	50	20	DDGD	
Cc1cc(OC(=O)[C@@H]2CCc3nnn(C)c3C2)ccc1[N+](=O)[O-]	810534381	PIYIRNJNMMKWQV-SNVBAGLBSA-N	316.317	1.742	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1cc(Cl)c2c(c1)OCCO2	814954980	SEJXEYWGTGFPQH-UHFFFAOYSA-N	320.736	1.527	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2CCCC[C@@H]2CCCO)n1	814753101	NHBAWPCASRTXGT-CQSZACIVSA-N	306.410	1.935	50	20	DDGD	
Cc1nn(C(C)C)c(C)c1CC(=O)NNc1ncc(F)cn1	815881506	PXJOPFYIWUJBCO-UHFFFAOYSA-N	306.345	1.696	50	20	DDGD	
C=C(C)C(C)(C)C(=O)NNC(=O)Cc1nc2ccccc2n1C	819006607	DYLSKDLJGGAWDC-UHFFFAOYSA-N	314.389	1.866	50	20	DDGD	
CO[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)C1	814375671	PJBBNUSXJZQAEP-UKRRQHHQSA-N	319.405	1.719	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@]1(C)CC1(F)F	817424780	CYLDPNWPYOGHSF-OQPBUACISA-N	316.279	1.786	50	20	DDGD	
COCCOCc1ccc(C(=O)NNc2ncc(F)cn2)cc1	812540347	QSBADIKJXNPLKG-UHFFFAOYSA-N	320.324	1.536	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNC(=O)COc1ccccc1OC	729297319	GGQAOPUBEDULGG-NSHDSACASA-N	310.350	1.037	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2c[nH]nc2C(C)(C)C)n1	812435854	XNVASNCOLIWZTO-UHFFFAOYSA-N	302.382	1.671	50	20	DDGD	
O=C(NNc1cccc2cnccc12)c1c[nH]c(-c2nn[nH]n2)c1	826449124	CPIAFNCXZPDRIC-UHFFFAOYSA-N	320.316	1.500	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=S)NC1CCOCC1	727783643	ZQQAWQAJNJQHND-UHFFFAOYSA-N	307.419	1.294	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cccc(Nc2ncccn2)c1	823976739	INFQZFHRBCAQHF-LLVKDONJSA-N	301.350	1.178	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2cccnc2)c2c1CCC2	823109599	XUHXNIYFIXQHTJ-UHFFFAOYSA-N	309.369	1.882	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cc2ccccc2c(O)n1	728891916	KLGOLQDPGWVXLO-UHFFFAOYSA-N	322.324	1.339	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cc(C2CC2)nn1C)C1CC1	824446132	GVUOCSAORWXOOZ-MRVPVSSYSA-N	307.423	1.205	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1sc(C)nc1C	726737342	OQLLWAANGIQGIZ-JTQLQIEISA-N	324.450	1.568	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)NNC(=S)NC(C)(C)C)c1C	726136881	XDDKOFFGZSUVIP-UHFFFAOYSA-N	310.423	1.742	50	20	DDGD	
COC(=O)NN=Cc1ccc(OC)c2oc(C(=O)OC)cc12	492867239	RUXOHXDCMRJOEQ-UHFFFAOYSA-N	306.274	1.918	50	20	DDGD	
CCON1CCC(CC(=O)NNC(=O)NC2CCCC2)CC1	824342561	LNXKWZIQTWIQPG-UHFFFAOYSA-N	312.414	1.313	50	20	DDGD	
OB(O)c1ccc(CN[C@@H](C[C@H]2CCOC2)c2ccccc2)o1	585032772	ZXJDNBZALBHRNR-CJNGLKHVSA-N	315.178	1.217	50	20	DDGD	
CC(C)(C)N1C[C@H](CNC(=O)NNc2ccccc2)CC1=O	823145369	AWYVHNZZYCYLPO-LBPRGKRZSA-N	304.394	1.960	50	20	DDGD	
CCc1oc(/C=C(\C#N)C(=O)N[C@@H](C)COC)cc1C(=O)OC	490911587	VJKYELVCNZZFOK-OTXQMUPVSA-N	320.345	1.687	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H]2CCCCN2C2CCCC2)nc1O	824044290	MZGPXWRLPPANLJ-GFCCVEGCSA-N	320.397	1.126	50	20	DDGD	
CCCONC(=O)NNC(=O)COc1ccccc1OCC	828222386	ZWAOFLPHZCJTDH-UHFFFAOYSA-N	311.338	1.136	50	20	DDGD	
CN1CCCC[C@@H](C(=O)NNC(=O)Nc2ccccc2)C1=O	822760383	LJFGYQSCVLBKQY-LBPRGKRZSA-N	304.350	1.098	50	20	DDGD	
C[C@@H](C[C@@H](O)c1cccs1)NCc1cccc(B(O)O)c1	585035557	VARRRORJPSDWHF-SMDDNHRTSA-N	305.208	1.030	50	20	DDGD	
C[C@H](CNC(=O)[C@]1(C)C[C@@H]1Br)N1CCCCC1=O	907647940	ORJLBXGWSCUQPL-GBIKHYSHSA-N	317.227	1.677	50	20	DDGD	
O=C(N1CC[C@H](B(O)O)C1)C(F)(F)c1cccc(Cl)c1	585072904	SXZAAZXAVAHFDK-VIFPVBQESA-N	303.501	1.507	50	20	DDGD	
C/C=C(/C=C/C(=O)NNC(=O)COc1ccccc1O)CC	492121591	XVLFRGUXLRVYJK-LKIWZNJYSA-N	304.346	1.831	50	20	DDGD	
Cc1nc(C)n(C2CN(C(=O)/C(C#N)=C\c3ccc(O)cc3)C2)n1	491131580	LPZLQLOWBZCUIG-AUWJEWJLSA-N	323.356	1.591	50	20	DDGD	
C[C@@H]1CCC[C@@H](N2CCC(=NNC(=O)C(=O)NC3CC3)CC2)C1	733744826	SJHPJPKZTNYIGZ-IUODEOHRSA-N	320.437	1.412	50	20	DDGD	
COc1cc(C)cc(C(=O)NNC(=O)c2ccccc2F)c1O	730103463	CHHJITJFTJFFCP-UHFFFAOYSA-N	318.304	1.923	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNc1nc2c(C)cccc2s1	828367391	NJUWWRCNVAXMGA-VIFPVBQESA-N	306.391	1.963	50	20	DDGD	
CCN(CCS(C)(=O)=O)C(=O)[C@]1(C)C[C@@H]1Br	907114784	GDVOZOVBBSUTSW-WCBMZHEXSA-N	312.229	1.053	50	20	DDGD	
COCCO[C@@H]1CCCN(C(=O)[C@@]2(C)C[C@@H]2Br)C1	908036252	NYDZQOHVDUUBHM-MDZLAQPJSA-N	320.227	1.814	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1cn2ccccc2n1	494728110	YMJURMOQHDFSBU-UHFFFAOYSA-N	317.349	1.309	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cnn(-c2ccccc2)c1)n1cccn1	733106840	MQFWFRVXFWKPQU-LBPRGKRZSA-N	324.344	1.091	50	20	DDGD	
CN1CC[C@@H]2CN(C(=O)[C@H](Br)C(C)(C)C)C[C@@H]21	836847699	BMPANNYRMTTXHB-VWYCJHECSA-N	303.244	1.959	50	20	DDGD	
C=CC(C)(C)CNC(=O)NNC(=O)COc1ccc(C#N)cc1	838666309	YPLATUOLGXQALL-UHFFFAOYSA-N	316.361	1.480	50	20	DDGD	
COC[C@@H](OC)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	830810909	WJAZOIKWIGLOBM-SNVBAGLBSA-N	303.702	1.353	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@@H](CO)CC2CCCCC2)cn1	491080668	DPIPDMLAZYLXDZ-NXADEVLQSA-N	316.405	1.775	50	20	DDGD	
C[C@]1(C(=O)NC[C@H]2CCN(C3CC3)C2)C[C@H]1Br	906361710	LJIJKXGDLLJALS-XWIASGKRSA-N	301.228	1.760	50	20	DDGD	
CCn1nnc(C)c1COC(=O)/C(C#N)=C/c1ccc(O)cc1	837561934	LHHORBXPCRCFSM-MDWZMJQESA-N	312.329	1.962	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCCC[C@@H]1COC(=O)NC1CC1	491105496	QDHHGZOPDASBLH-GAJOTYCWSA-N	321.377	1.700	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H](O)c1ccccc1C(F)(F)F	908448839	NOCZNFCLBPLVLS-LBPRGKRZSA-N	316.279	1.686	50	20	DDGD	
COCC(COC)N1CCN(C[C@H](C)CBr)CC1	839624054	VUOVVBTYUBZASE-GFCCVEGCSA-N	323.275	1.296	50	20	DDGD	
CC(C)(C)n1ncnc1CNC(=O)[C@@]1(C)C[C@@H]1Br	908020689	NQNIPDXPXGVPBZ-UFBFGSQYSA-N	315.215	1.823	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cnc3n2CCC3)c1	831894104	KXAYBGKFATXNHW-UHFFFAOYSA-N	300.318	1.373	50	20	DDGD	
Cc1cn(C)nc1C(=O)NNC(=O)C(C)(C)c1ccccc1	839669799	BQOGEYIFKLVEDJ-UHFFFAOYSA-N	300.362	1.467	50	20	DDGD	
C[C@H](C(=O)O)n1cccc1C=NNC(=O)c1ccc(N)cc1	833406342	MXULZAFHLBQDDB-SNVBAGLBSA-N	300.318	1.480	50	20	DDGD	
C[C@H](Cc1cccc(F)c1)NCc1ccc(B(O)O)cc1F	585027817	DKJFIMXFODHANO-LLVKDONJSA-N	305.133	1.365	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-]	836781423	KQYDPEAXGAGPIE-UHFFFAOYSA-N	314.729	1.863	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNc1ccc(F)c(C(=O)OC)c1	837036621	DPVHJYJOHGXATM-MFKMUULPSA-N	308.309	1.647	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2O)nc1	730833060	RHMNFVLGXWTRPJ-UHFFFAOYSA-N	316.704	1.387	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C	735762969	UADQDJWFEVBZIQ-DGCLKSJQSA-N	315.414	1.195	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCc1cocn1	730913940	YRDHOELBFRIIOU-VIFPVBQESA-N	322.296	1.112	50	20	DDGD	
CCS[C@@H]1CCC[C@H](NC(=O)c2ccc(B(O)O)cc2)C1	584960479	LUIAZEJOZHAVPN-UONOGXRCSA-N	307.224	1.161	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(C)cc1C	831763119	CPFYJXYWHQZFFQ-NWDGAFQWSA-N	321.377	1.890	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1CCCN(c2ccccc2)C1	585029734	SOFWQLGHCRDVHC-MRXNPFEDSA-N	310.206	1.125	50	20	DDGD	
C[C@]1(C(=O)NNc2nc(O)c3ccccc3n2)CCCCO1	839702792	VRNGMJWTCZJBFW-OAHLLOKOSA-N	302.334	1.738	50	20	DDGD	
OB(O)[C@H]1CCN(Cc2cnn(-c3ccc(Cl)cc3)c2)C1	585077521	WKXDIFMCQTXERW-LBPRGKRZSA-N	305.574	1.574	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)OCC(F)F)cc(-c2nn[nH]n2)n1C	737213065	QIRUWYIBTAHZHR-OQFOIZHKSA-N	322.275	1.229	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ccc(C(=O)O)cn1)N1CCCCC1	833465859	OHAXTRVNBJDHFC-CQSZACIVSA-N	320.393	1.733	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)Sc1nnc2ccccn12	734980959	NHLDESFRJLOQNE-JTQLQIEISA-N	321.406	1.403	50	20	DDGD	
CC(C)C[C@@H]1C[C@H]1NC(=O)NNC(=O)COCc1ccccc1	838755499	ASVJWQKJROMHBJ-HUUCEWRRSA-N	319.405	1.968	50	20	DDGD	
O=C(NC[C@H]1CCCO1)NNc1cccc(Br)n1	837313280	JRPRYIXAUFRUFF-MRVPVSSYSA-N	315.171	1.649	50	20	DDGD	
CCOc1ncc(C)cc1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	831840666	PSGVXDFWMJMWKY-QWRGUYRKSA-N	322.365	1.366	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)Cc1ccncc1)OCC1CC1	840429198	ZHTSYNIWYLBTJO-UHFFFAOYSA-N	320.393	1.160	50	20	DDGD	
N#Cc1cccc(NNC(=O)[C@@]23CCC(=O)N2CCS3)c1	748033029	SDZAHRGCLCTKEX-AWEZNQCLSA-N	302.359	1.067	50	20	DDGD	
Cc1c(C(=O)NN(C)C[C@H](C)O)nnn1-c1ccccc1Cl	910165765	MXCRBVLRRINOFX-VIFPVBQESA-N	323.784	1.187	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C(C)(C)CNC(C)=O)cc1	846376610	CMAJCKDHYSRLPS-UHFFFAOYSA-N	321.377	1.008	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)Cc1ccncc1)CCO2	747642553	VPVPUGRSZXNAOG-UHFFFAOYSA-N	311.341	1.936	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2cccc(Br)c2)o1	748019364	CFIBKJSXLRDGOY-UHFFFAOYSA-N	324.134	1.898	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc(C(C)(C)C)s1	843648941	SHNIEIKKOBPBMT-IUCAKERBSA-N	311.407	1.627	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccc(OCCCOC)c1	742056122	ZZCHATPNRRTTHF-UHFFFAOYSA-N	323.393	1.846	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1ccc2c(c1)OCCO2)[C@@H]1CCOC1	841615685	DOTMMIGBDRMNHR-DOMZBBRYSA-N	320.345	1.225	50	20	DDGD	
CCN(CC)CCC(=O)NN=C(C)c1ccc2c(c1)CC(=O)N2	915951865	KWPVWNCNTWROKU-UHFFFAOYSA-N	316.405	1.753	50	20	DDGD	
Cc1cc(C)n(-c2ccc(CC(=O)NNC(=O)N(C)C)cc2)n1	746001488	NWXSAJZUXFXHLJ-UHFFFAOYSA-N	315.377	1.334	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCCOC2CCCC2)n1	746754681	LGPSIXVTGCXKAI-UHFFFAOYSA-N	323.397	1.769	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(=O)c2ccccc2o1	913438091	MPOQCBBXCJHCLJ-UHFFFAOYSA-N	303.343	1.088	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@@H](C)CCN(C)C)cc1	844932083	CAXJKAPBBDLPJL-LBPRGKRZSA-N	322.409	1.368	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCCc2cccnc21	843657376	QTPDSGPCHXYEMW-WCFLWFBJSA-N	303.362	1.074	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1ccc(OCC(=O)O)cc1	842558076	RBWYBPYSIGSAHE-GXFFZTMASA-N	306.318	1.025	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1cnc2c(c1)C[C@@H](N)CC2	841324375	IJJJOTPIZDRMCC-JTQLQIEISA-N	305.382	1.096	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)c2nn(C)cc2C)cc1	846376761	DZQXNSCODAJXBX-UHFFFAOYSA-N	302.334	1.201	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@]12CCC[C@@H]1C2	929301404	DOOYFBRGPWZISZ-GLKRBJQHSA-N	306.337	1.931	50	20	DDGD	
C[C@H]1CCCC[C@@H]1CCNC(=O)NNC(=O)c1ncccn1	841584985	TZJQGBGTUAZWRO-NWDGAFQWSA-N	305.382	1.637	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H]1CCCC[C@H]1F	840442446	ZHLYNIMAYLOICZ-VXGBXAGGSA-N	309.341	1.920	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NNC(=O)NCC2CC2)C1	751372531	SKAJTDAKFNRMQP-YPMHNXCESA-N	324.425	1.012	50	20	DDGD	
CCn1ccnc1C=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1	755587975	MFQDCBZUEDTAGO-RDBSUJKOSA-N	321.425	1.098	50	20	DDGD	
CC(C)n1ncc(C(=O)NNc2ccccc2[N+](=O)[O-])c1N	757748258	DNCYDFGVJWEJOO-UHFFFAOYSA-N	304.310	1.711	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	920451563	DYUZLWYBCWZBHB-ZETCQYMHSA-N	314.729	1.606	50	20	DDGD	
O=C(CSc1ncnc2sccc12)NNC(=O)C1CC1	859369984	KRGYNGGLQSRPDL-UHFFFAOYSA-N	308.388	1.341	50	20	DDGD	
CCC[C@@H](O)CC(=O)NNC(=O)COc1cc(C)cc(C)c1	750051013	GLOQVJKSWBJFEW-CYBMUJFWSA-N	308.378	1.381	50	20	DDGD	
Cn1nc(C2CC2)cc1CNC(=O)NNC(=O)c1ccccc1	927613022	OLSXLMCUAHAJND-UHFFFAOYSA-N	313.361	1.442	50	20	DDGD	
O=C(NCc1nc(C2CC2)no1)NNc1ncc(Cl)cn1	856844529	NLLTWRBUURFGHT-UHFFFAOYSA-N	309.717	1.217	50	20	DDGD	
Cc1cc(Cl)cc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c1	853390534	BHTHSSHRUSCYCR-CABCVRRESA-N	321.808	1.962	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C)c(C)c1)c1cnn(C)c1	920825440	HIWCEDUIMRLIFY-UHFFFAOYSA-N	300.362	1.956	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2[C@H](C)O[C@H](C)[C@@H]2C)cc1	858142037	VLYNZTWJEIXLHX-ZWUHOBOKSA-N	320.389	1.581	50	20	DDGD	
C=CCN(CC(=O)NNC(=O)Cc1ccccc1C)C(C)(C)C	852554204	GJTQASMGENUMAI-UHFFFAOYSA-N	317.433	1.971	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@@H](CC)Oc1ccccc1C	753033279	BOIHEXPCIOQANS-CYBMUJFWSA-N	323.393	1.519	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H](C(=O)OC(C)(C)C)C1CCCC1	854214301	VZGVDMIKIDJTKE-GFCCVEGCSA-N	312.410	1.938	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1cccc2cccnc12	750936512	JWSGXFXECOGKDZ-UHFFFAOYSA-N	322.324	1.708	50	20	DDGD	
C[C@@H](CCS(C)(=O)=O)NC(=O)NNc1ccc(Cl)cn1	852210179	XZZCMEKJZWBGNY-QMMMGPOBSA-N	320.802	1.184	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NC[C@@H](O)c1ccncc1	752641766	UGZXIQUCWMHOJL-IHWMJMDHSA-N	311.316	1.977	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2cccnc2Cl)[C@@H]2CCCC[C@H]2N1	854929652	GVBCYQNYVKUJRO-GARJFASQSA-N	322.796	1.873	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)c2cccc(F)n2)C[C@@H](CC)O1	852711119	DMAJYJWUSLOPJU-PHIMTYICSA-N	324.356	1.465	50	20	DDGD	
C[C@@H](NNC(=O)[C@H]1CN(C)C(=O)c2ccccc21)C(F)(F)F	862318908	YYVZLKZDPLGKOZ-KCJUWKMLSA-N	315.295	1.427	50	20	DDGD	
CCOC(=O)CC1(S(=O)(=O)NCC(Cl)Cl)CC1	867470968	UOIIKTJULMOIEO-UHFFFAOYSA-N	304.195	1.195	50	20	DDGD	
Cc1ccc(NNC(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)cc1	761049100	KJJYPGLLOGXBOQ-UHFFFAOYSA-N	323.356	1.636	50	20	DDGD	
N[C@@H]1C[C@H]1c1ccc(NC(=O)NNC(=O)C2CCCC2)cc1	868182044	YDTNZYKPLCUCKZ-UONOGXRCSA-N	302.378	1.844	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1	860682822	FBMDNYJTBYAMKE-PUHVVEEASA-N	306.362	1.976	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCCC[C@@H]1c1ccccc1	867419793	BAUGLZZZMFTPMA-QGZVFWFLSA-N	309.174	1.734	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H]1CCN(Cc2ccccc2)C1=O	935620115	CWOXLMRKPZNCIU-OAHLLOKOSA-N	324.384	1.882	50	20	DDGD	
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)NNC(=O)C1CC1	764643757	XRRFLJGHTAXELS-UHFFFAOYSA-N	318.377	1.696	50	20	DDGD	
C[C@H](C(=O)NNC(=O)NCC(F)(F)F)c1cccc(O)c1	935803480	ZTOIAVJRQOJEPX-ZETCQYMHSA-N	305.256	1.388	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(-c3cnco3)cc2)n[nH]1	768278112	HMNDXSSYDUGOER-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
C[C@H]1CCC[C@H]1CC(=O)OCC(=O)NNC(=O)c1cccs1	769175205	FGKVMGXUCXNAGU-QWRGUYRKSA-N	324.402	1.879	50	20	DDGD	
CN(C)c1ncccc1C(=O)NNCC(F)(F)C(F)(F)F	863093694	YFRFWDBIRKUTQN-UHFFFAOYSA-N	312.242	1.580	50	20	DDGD	
Cc1noc(CCCC(=O)NNCC(F)(F)C(F)(F)F)n1	863093384	KDBPRFNIQRFODS-UHFFFAOYSA-N	316.230	1.519	50	20	DDGD	
COc1ccc2nc(C)c(C(=O)N3CC[C@H](B(O)O)C3)cc2c1	864230680	CFSFKBKKOKBPNZ-LBPRGKRZSA-N	314.150	1.241	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1ncc2c(n1)CCCC2=O	863350801	IMALFDNTRWRCAC-MRVPVSSYSA-N	322.390	1.034	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=S)Nc2ccccn2)s1	768585445	MNLUPVOUGZNSRV-UHFFFAOYSA-N	303.372	1.646	50	20	DDGD	
CC(C)c1cccc(C(=O)NNc2ccnc(N(C)C)n2)n1	762540731	RBTSLOFAXZXWPG-UHFFFAOYSA-N	300.366	1.818	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)/C=C/SC	768629496	JWZXWMXAQMGUGG-BQYQJAHWSA-N	316.404	1.419	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3cnco3)n[nH]2)cc1	760138052	AOQATEPQZHRJIK-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1cnn(-c2ccccc2)c1	872402565	HXAYKQKIEFDUDS-UHFFFAOYSA-N	316.361	1.376	50	20	DDGD	
Cc1ccc([C@H](C)[C@@H](O)C(=O)NNc2ncc(F)cn2)cc1	765221896	MXQAMPNOVXFUMH-GXFFZTMASA-N	304.325	1.532	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NN(C)C(=O)OC)C1(CC)CC	875349308	XUYBQAGBOKXEGZ-MNOVXSKESA-N	301.387	1.883	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2	878094885	SMTNGIWASZOCPN-SECBINFHSA-N	308.338	1.021	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cnc(N(C)C)cn1	779679154	UQESBEBXZWMIFP-UHFFFAOYSA-N	315.333	1.086	50	20	DDGD	
CCOc1ccc2c(c1)C(=NNC(=O)COCCOC)CCO2	872400695	PBZTYRQQWBPEMQ-UHFFFAOYSA-N	322.361	1.351	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C	875867747	XVSHYLWJOUKNIG-MWLCHTKSSA-N	315.370	1.336	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](F)Cc2ccccc2)n1	778302438	HSSRZIZTDJZTQB-LBPRGKRZSA-N	304.325	1.818	50	20	DDGD	
Cc1cc(F)ccc1C(=O)NNC(=O)c1ccc2c(c1)OCO2	771219098	FXWDMEWFIYVRIS-UHFFFAOYSA-N	316.288	1.938	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)[C@@H]1CCCCO1)c1cccc(OC)c1	871887605	VQXFXBMHJUWDDT-KBPBESRZSA-N	322.361	1.099	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)CCCn2ccnc2)c1	776526499	GRGGCLUVJBHRGB-UHFFFAOYSA-N	322.390	1.210	50	20	DDGD	
COC(=O)N1CCC[C@@H](NC(=O)NNc2cccc(C)n2)C1	875209465	BNNRZRSKJRBKDZ-LLVKDONJSA-N	307.354	1.247	50	20	DDGD	
O=C(CC1(C(=O)O)CCC1)NNC(=O)c1cc2c(s1)CCC2	872831116	FIVSXZQQBRPJOI-UHFFFAOYSA-N	322.386	1.643	50	20	DDGD	
COCC(=O)NN=C1CCCCc2cc(OC)c(OC)cc21	872357203	VJJSLQVPTFZJST-UHFFFAOYSA-N	306.362	1.897	50	20	DDGD	
CC[C@H](C)n1nc(C(=O)NNc2ncnc3[nH]cnc23)cc1C	778506162	MSHQZHVVHKTQNO-QMMMGPOBSA-N	314.353	1.586	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2c3c[nH]nc3CC[C@@H]2C)nc1	879657997	VYRPVWNFMKUATR-XPTSAGLGSA-N	301.350	1.623	50	20	DDGD	
CNC(=O)c1ccc(NC(=O)NNc2ncc(F)cn2)cc1	775459516	LBCCZSIGMOVIIJ-UHFFFAOYSA-N	304.285	1.124	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C(C)=O)cc1F	772238758	WLGISJWEPRHCEY-SECBINFHSA-N	324.308	1.131	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cccnc1N(C)C	777827543	DBSJAAHGEYAXRR-UHFFFAOYSA-N	314.345	1.691	50	20	DDGD	
CC[C@H](C)n1nc(C(=O)NNC(=O)c2cc(C)[nH]n2)cc1C	778405674	QOWXHGCKJMAMHP-VIFPVBQESA-N	304.354	1.269	50	20	DDGD	
COC(=O)c1ccn(CC(=O)NNc2cc(C)ccc2C)n1	879251489	LHSIJXPQBXALHS-UHFFFAOYSA-N	302.334	1.430	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccncn1	778302922	HEXNUHPXFJHJBT-UHFFFAOYSA-N	311.128	1.858	50	20	DDGD	
O=C(NC[C@@H]1C=CCC1)NNc1ncc(Br)cn1	883784228	PJASMWDKYCXASC-MRVPVSSYSA-N	312.171	1.831	50	20	DDGD	
COC(=O)CNC(=O)NN=C1C[C@H](C)Sc2sccc21	779820519	CREGNRKBINNTNW-ZETCQYMHSA-N	313.404	1.809	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1ccc(F)c([N+](=O)[O-])c1	771595893	RDXFDNXLORCIDW-SECBINFHSA-N	315.301	1.619	50	20	DDGD	
C[C@H](CBr)COC(=O)C[C@H]1CCS(=O)(=O)C1	770332070	YUEMRDQRFZKTEB-RKDXNWHRSA-N	313.213	1.385	50	20	DDGD	
O=C(CS(=O)(=O)C1CC1)NNc1ccc(Cl)cc1F	885107158	UXJBAHSNUFJOFU-UHFFFAOYSA-N	306.746	1.499	50	20	DDGD	
CCCCC[C@@H]1CCCN1C(=O)NNC(=O)c1cccnn1	883851115	LLOLBTRRELGRBU-GFCCVEGCSA-N	305.382	1.876	50	20	DDGD	
CC[C@@H](Cc1cn(/C=C/CBr)nn1)C(=O)OC	881294763	CESZWWFJHXGBQA-DNQSNQRASA-N	302.172	1.885	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@@H]1C[C@H]1Cc1ccccc1	883494051	ZKHHUNDXJSVTQX-HUUCEWRRSA-N	317.389	1.375	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)C(=O)Nc1cncnc1	785154968	WYVSZGIHYPWZSM-UHFFFAOYSA-N	322.328	1.415	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](C)OCc1cccc(OC)c1	887141840	LAVQEVPVWTWIAQ-ZDUSSCGKSA-N	318.373	1.551	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1cccc(-n2cccc2)c1	784796705	NNJPMYWPXZGOTO-UHFFFAOYSA-N	321.340	1.954	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCCn1cc([N+](=O)[O-])ccc1=O	786667732	AFNZSLYYYHDADU-XFFZJAGNSA-N	303.274	1.160	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1noc(-c2ccc(F)cc2)n1	895524877	SNXUPTMCTQIGCG-UHFFFAOYSA-N	306.297	1.683	50	20	DDGD	
Cc1nc(C)c(NC(=O)C(=O)NN(C)c2ccccc2)s1	783434577	RMGVYZPQQWJYHG-UHFFFAOYSA-N	304.375	1.866	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2C[C@@]23C(=O)Nc2ccccc23)ncn1	894965302	GUANBWNITKNXOZ-BZNIZROVSA-N	309.329	1.138	50	20	DDGD	
C[C@@H](CCNS(=O)(=O)CBr)N1CCCCC1	784472300	GXZBTAJMZQPLBM-JTQLQIEISA-N	313.261	1.523	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cc(F)ccc1[N+](=O)[O-]	781833390	GNRNJPYYLAABJA-UHFFFAOYSA-N	311.660	1.934	50	20	DDGD	
CC(=O)NNC(=O)c1ccnc(Oc2ccc(F)cc2F)c1	788729272	VTSBYJPBUWEHGZ-UHFFFAOYSA-N	307.256	1.933	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)NCCC#N	787357903	XSPYXASFUCDHND-UHFFFAOYSA-N	308.363	1.031	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1cnc2ccc(Cl)cn12	794959203	ZWQUYCYXLHQTAS-VZUCSPMQSA-N	310.766	1.744	50	20	DDGD	
CSc1ccncc1NC(=O)C(=O)NNc1ncccc1C	792378841	XYTXQXAGNFEUSN-UHFFFAOYSA-N	317.374	1.589	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)NN=c1cc[nH]cc1	793784905	DXWMKTIVOUHMJL-GFCCVEGCSA-N	320.393	1.592	50	20	DDGD	
CCC(C)(C)c1ccc(NC(=O)C(=O)NNC(=O)C2CC2)cc1	790956856	MRJILMHBNAQALO-UHFFFAOYSA-N	317.389	1.870	50	20	DDGD	
COc1cc(C=NNC(=O)N2CCN(C)CC2)ccc1SC	790176064	LXXONSNFUFRTPJ-UHFFFAOYSA-N	322.434	1.708	50	20	DDGD	
CCN(CC)CCC(=O)NNC(=S)Nc1ccsc1	790304714	ZSGAYMHYZREEAH-UHFFFAOYSA-N	300.453	1.798	50	20	DDGD	
C=C(CBr)COC(=O)c1c([N+](=O)[O-])c(C)nn1C	795465021	LPXCLDFAEQLQTJ-UHFFFAOYSA-N	318.127	1.745	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NCCSSC)c1F	793082769	ZWVWPZCYVLBHIV-UHFFFAOYSA-N	318.395	1.900	50	20	DDGD	
C[C@@H](CNC(=O)NNc1nc2ccccn2n1)N1CCCCC1	790237780	MQQALHAJDXOMFK-LBPRGKRZSA-N	317.397	1.230	50	20	DDGD	
O=C(CN1CCC[C@H]1[C@H]1CCCO1)NNC(=O)c1cccs1	792923319	FEEOCCREWUULQM-NWDGAFQWSA-N	323.418	1.153	50	20	DDGD	
COc1cncc(C(=O)NNc2nccc3sccc23)n1	792327723	HCWFZPONSYNDGJ-UHFFFAOYSA-N	301.331	1.852	50	20	DDGD	
Cn1ccc(CCC(=O)NNC(=O)C(C)(C)c2ccccc2)n1	794316013	QGJQPSZISAWBER-UHFFFAOYSA-N	314.389	1.478	50	20	DDGD	
CN(CC(=O)Nc1ccc(Br)cn1)C(=O)CCl	1319682489	JTDUYCYHJPNCBQ-UHFFFAOYSA-N	320.574	1.480	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)CC1)c1ccccc1Cl	1324459262	GEVOTBIBGQPBBO-UHFFFAOYSA-N	300.767	1.634	50	20	DDGD	
Cc1cc(NNC(=O)c2c(C)noc2C(F)(F)F)ncn1	1323569075	UWOIOUAVFGHENF-UHFFFAOYSA-N	301.228	1.857	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cnc(-c2ccccc2)[nH]1	1326186226	IVSIGIDCPCBIIS-UHFFFAOYSA-N	303.391	1.594	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H](C1CCCCC1)C1CCC1	1328160205	IIHUFXHKLAUMGI-LBPRGKRZSA-N	311.382	1.239	50	20	DDGD	
CC1=CCCN(C(=O)C(=O)NC[C@]2(C)C[C@H]2Br)C1	1329559795	YFXIPBBVDZIEEC-MFKMUULPSA-N	315.211	1.455	50	20	DDGD	
COC(=O)Cn1cccc1C=NNC(=O)c1ccc(OC)cc1	1320647497	ADGYISUOZYVFEF-UHFFFAOYSA-N	315.329	1.434	50	20	DDGD	
Cc1cn(CC(=O)NNC(=S)NC(C)C)c2ccccc12	1338061128	XGWAXOVWZVBRFJ-UHFFFAOYSA-N	304.419	1.853	50	20	DDGD	
CCOc1ccc(C(=O)NNc2nncc(N)c2Cl)cc1	1253163532	SFIQOLAWCBIYPE-UHFFFAOYSA-N	307.741	1.868	50	20	DDGD	
COc1nc(Cl)c(C=NNC(=O)c2ccc(C)cc2O)n1C	1330310533	KTCTXOHNDDSCRU-UHFFFAOYSA-N	322.752	1.860	50	20	DDGD	
CO[C@H]1CCC[C@@H]1C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	1336485366	RGGQKPCKJPLRND-QWRGUYRKSA-N	321.333	1.383	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)c2n[nH]c3c2CCCC3)C1	1348977229	DVPQBUFMWUSVEX-UHFFFAOYSA-N	304.350	1.347	50	20	DDGD	
C[C@H]1C(=NNC(=O)c2n[nH]c3c2CCCC3)CC[C@H]1CC(=O)O	1343881628	ITGDOZSZHXWFLM-ZJUUUORDSA-N	318.377	1.895	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CCc2nccn2C)c1	1263700527	ZEQWVEOFUSESHB-UHFFFAOYSA-N	317.418	1.679	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](C(=O)OC[C@@]2(C)C[C@@H]2Br)C1	1345265053	IITXKAXDISLLCY-KIKITERTSA-N	305.168	1.902	50	20	DDGD	
CC1=NO[C@@](C)(C(=O)NNc2ccnc(Br)c2)C1	1353646253	ZKRSXXNKDWOPRG-LLVKDONJSA-N	313.155	1.842	50	20	DDGD	
CC1(C)C[C@@H](C(=O)NNC(=O)c2cccc(C#N)c2)CCO1	1353565164	MEHBPFWKTUDQRU-ZDUSSCGKSA-N	301.346	1.524	50	20	DDGD	
CCCC[C@H](C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	1609207710	QWGXZVJUYSXIER-JTQLQIEISA-N	316.365	1.454	50	20	DDGD	
O=C(NN=Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(O)cc1	1609557316	JXCDHRLKGSFBEV-UHFFFAOYSA-N	308.301	1.336	50	20	DDGD	
C[C@H]1CN(CCCI)C[C@]1(C)C(=O)O	1607475994	CGQOEUMICMBPOE-WPRPVWTQSA-N	311.163	1.854	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNc1ccc(C)c(C(=O)O)c1)C(C)C	1605503802	KDLDPLOBJXEFSV-ZDUSSCGKSA-N	322.361	1.972	50	20	DDGD	
O=C(O)C(=O)NN=C1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]12	1601638063	PLNZHMDCZQRXFG-ZFWWWQNUSA-N	315.373	1.618	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1CC2)NC1CCCC1	1608478964	CLDBRKHCGGNULE-DJIHRAIXSA-N	321.377	1.172	50	20	DDGD	
CC(C)[C@@H]1C[C@H](C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)CCO1	1549321069	PRZQDTHDVKXPMG-WCVJEAGWSA-N	323.437	1.403	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@H]2C[C@]23CCNC3)cc1C	1573793862	QTYVJFCWXVUWGJ-PBHICJAKSA-N	317.389	1.614	50	20	DDGD	
Cc1cccc(NNC(=O)NCc2cccc(-c3nn[nH]n3)c2)n1	1581243789	BNCVYRPDRKSTEE-UHFFFAOYSA-N	324.348	1.396	50	20	DDGD	
C=C[C@](C)(CCOC)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1588497251	YOMNHIXEVRXKSK-OAHLLOKOSA-N	316.365	1.539	50	20	DDGD	
C=CC[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1845978975	GYAYFVYDGMKRSI-QWRGUYRKSA-N	302.777	1.936	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)CC2CCC2)C1	1847002042	MKVUOYMBAMEJEZ-LBPRGKRZSA-N	302.777	1.914	50	20	DDGD	
O=C(/C=C/[C@H]1CCCO1)NNc1cccc(-c2nn[nH]n2)c1	1592795251	POIVBGCCZVJKOK-NNNHXZLVSA-N	300.322	1.045	50	20	DDGD	
O=C(NCC1(C(=O)O)CCC1)NNc1c(F)cc(F)cc1F	1594742029	QGKIZNMTLSYFNB-UHFFFAOYSA-N	317.267	1.985	50	20	DDGD	
CCc1[nH]c(C(=O)NNC(=O)NC2CCCC2)c(C)c1C(=O)O	1597385841	SCBKSFPVCNNPRA-UHFFFAOYSA-N	322.365	1.470	50	20	DDGD	
Cn1cc(C(=O)O)cc1C=NNC(=O)c1cc(Cl)ccc1O	1776027347	VZIIRLZVAHLAIV-UHFFFAOYSA-N	321.720	1.846	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2csc(C(=O)O)c2)ccn1	1776043858	GFSSMRNPQYNDGJ-UHFFFAOYSA-N	318.358	1.671	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1ccc([N+](=O)[O-])cc1	161670829	FDXASKKWVBXVIO-UHFFFAOYSA-N	317.330	1.621	50	20	DDGD	
COCC(=O)N[C@H](C(=O)NNc1ccc(F)cc1C)C(C)C	160792415	KUQYRUIQPUMUSI-AWEZNQCLSA-N	311.357	1.364	50	20	DDGD	
Cn1nnc2cc(C(=O)NNc3cnc4ccccc4n3)ccc21	163440835	LWRKWHFKIPTAEF-UHFFFAOYSA-N	319.328	1.668	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNC(=O)c1ccccc1	151507357	GPEVCKBXUWCDEB-LLVKDONJSA-N	314.389	1.677	50	20	DDGD	
O=C(NNc1ccccn1)N[C@@H]1CCN(c2ncccc2F)C1	151017810	MJTJRGIUTWEGMG-LLVKDONJSA-N	316.340	1.521	50	20	DDGD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NNc1ncccc1[N+](=O)[O-]	152849266	JJGSHLANBBPXMK-UHFFFAOYSA-N	317.261	1.963	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)Cn2ccc3ccccc32)cn1	104632105	MZUJTDKCXOVBMN-UHFFFAOYSA-N	322.368	1.735	50	20	DDGD	
N#CC1(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCCC1	52735197	FHNFTENLRASOJN-UHFFFAOYSA-N	302.290	1.440	50	20	DDGD	
Cc1cc(C)c(OCC(=O)NNC(=O)c2cnn(C)c2)c(C)c1	172080906	RBSYFCDKERJRHP-UHFFFAOYSA-N	316.361	1.185	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(-c3cccs3)on2)[nH]n1	178364603	FQTVSRQBWBBUSI-UHFFFAOYSA-N	317.330	1.509	50	20	DDGD	
CC(=O)N1CCC[C@@H](C(=O)NNc2cc(F)c(F)cc2F)C1	172091853	LQPQKEHAKSJJKX-SECBINFHSA-N	315.295	1.806	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)CC(C)(C)C)cc1	103060353	YISBSCPFYXPWCL-UHFFFAOYSA-N	300.380	1.441	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1O	178837937	NVIAPYNZHDWZDF-UHFFFAOYSA-N	318.245	1.966	50	20	DDGD	
C[S@@](=O)c1ccc(NC(=O)NNC(=O)C(C)(C)C)cc1F	179880878	BNRWVRIOZXEFPR-OAQYLSRUSA-N	315.370	1.762	50	20	DDGD	
CCc1ccc(C(=O)NNc2ccncc2)cc1S(C)(=O)=O	180496755	KLWHMHKQGVINCO-UHFFFAOYSA-N	319.386	1.804	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1ccn2ccnc2c1	177765424	OXDGMELRKXIHOZ-UHFFFAOYSA-N	303.366	1.601	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(C)ccc2[N+](=O)[O-])n1	174482758	GVSWBFUGBKECFE-UHFFFAOYSA-N	317.305	1.767	50	20	DDGD	
CCc1[nH]c(C(=O)NNc2ncc(F)cn2)c(C)c1C(=O)OC	122440983	UAMCAKRAMJFWFV-UHFFFAOYSA-N	321.312	1.358	50	20	DDGD	
Cn1nc(C(=O)NNc2ccc(OC(F)F)cc2)ccc1=O	122141946	VPNFHLMXDJPPTI-UHFFFAOYSA-N	310.260	1.139	50	20	DDGD	
Cn1nc(C(=O)NNc2ccccc2F)cc1OC(F)F	184765676	BCUDRAHQNWBSQE-UHFFFAOYSA-N	300.240	1.918	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2ccccc2)s1	31548900	BKSOPJJLXFKMQH-UHFFFAOYSA-N	304.327	1.610	50	20	DDGD	
CCc1cc(C(=O)NNc2cccc(S(C)(=O)=O)c2)[nH]n1	181113669	BJXIEJOICSHCAO-UHFFFAOYSA-N	308.363	1.133	50	20	DDGD	
Cc1cc(NNC(=O)Cn2c(=O)oc3ccccc32)nc(C)n1	128971455	FQJPTSCABVNHPI-UHFFFAOYSA-N	313.317	1.145	50	20	DDGD	
COc1ccc(CN(C)S(=O)(=O)CBr)cc1	126631306	BAKIFCVLBHIMIW-UHFFFAOYSA-N	308.197	1.809	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2ccc(F)cc2)c1	181130022	NJIZHJFRSIHHOF-UHFFFAOYSA-N	308.334	1.986	50	20	DDGD	
Cn1cc(CC(=O)NNC(=O)CCCc2ccccc2)cn1	77345195	CMMFERBOTCXPDN-UHFFFAOYSA-N	300.362	1.133	50	20	DDGD	
O=C(CCN1C(=O)CCC1=O)NNc1ccc2ccccc2n1	181083038	PXAQDXZDMKHZCV-UHFFFAOYSA-N	312.329	1.217	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccc(-n2ccnc2)nc1	43696615	MFMBBDUMRIJDBC-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cccc(CC#N)c2)cc1	76949612	AZZIAFHMGPSWRY-UHFFFAOYSA-N	322.368	1.934	50	20	DDGD	
C=CCN1CCC(NC(=O)NNc2nc3ccccn3n2)CC1	188692481	BIUIEDNCGNTVBY-UHFFFAOYSA-N	315.381	1.006	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1c(F)cc(F)cc1F	186253456	DQASBELBLQVNNN-UHFFFAOYSA-N	310.235	1.965	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cc(F)cc(Cl)c1O	132857694	AJHSWHZGQLTXMF-UHFFFAOYSA-N	323.711	1.583	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccc(Cl)cc1O	81039945	VUUJSSOUGKARLE-UHFFFAOYSA-N	305.721	1.444	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccc(C)cc1O	130061070	QNEIWTWFJPATNN-UHFFFAOYSA-N	314.341	1.713	50	20	DDGD	
CCNC(=O)NNC(=O)c1cccc(Nc2ncccn2)c1	139195337	DSXWPUNVAMWXRQ-UHFFFAOYSA-N	300.322	1.184	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CN1CCCCCCC1=O	47904897	PSRVVAACWMCZDQ-UHFFFAOYSA-N	317.389	1.549	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)/C(C#N)=C\c2ccc(O)cc2)o1	194732264	UOPVMYHBTHOMGR-WQLSENKSSA-N	311.297	1.662	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2CSCCS2)cc1	192719444	FUYLEEHHYBMCCN-LBPRGKRZSA-N	310.444	1.859	50	20	DDGD	
CCOc1c(Cl)cccc1CC(=O)NNC(=O)C(C)(C)O	192933105	IYULUBKGRFWURT-UHFFFAOYSA-N	314.769	1.200	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C(C)(C)C)cnn1-c1ccncc1	90202115	LGOCAMWFVMTFDJ-UHFFFAOYSA-N	301.350	1.383	50	20	DDGD	
CCC1(CC)[C@@H](NC(=O)NNc2ncccn2)[C@H](C)[C@@H]1OC	92791783	BYEGAGCYGBZUTA-SRVKXCTJSA-N	307.398	1.942	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc(OCC(F)F)nc1	90371638	USBNXJCGAHFWHB-UHFFFAOYSA-N	302.281	1.078	50	20	DDGD	
C[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(CCCl)cc1	385143672	OFOKOJHMBFHUAH-ZYHUDNBSSA-N	303.811	1.612	50	20	DDGD	
O=C(CN1CCCCC1=O)NNC(=O)c1ccc(Cl)cc1	97262385	YHNDKIHYSFRARQ-UHFFFAOYSA-N	309.753	1.114	50	20	DDGD	
C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)NNC(=O)Cc1ccncc1	246068053	GWIOZNDROHJJML-JYAVWHMHSA-N	304.394	1.779	50	20	DDGD	
C[C@H]1CCCC[C@H]1NC(=O)NNc1nc(O)c2cnn(C)c2n1	269288466	CNQHHQLJECYNSD-WCBMZHEXSA-N	319.369	1.274	50	20	DDGD	
Cn1ncc2c1C[C@@H](C(=O)NNc1ccc([N+](=O)[O-])cc1)CC2	366956947	XVEKGCTUFCWUNR-JTQLQIEISA-N	315.333	1.577	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)NNc2ccc3ccccc3n2)C1	367608096	PTWHFFISDDEWNO-KRWDZBQOSA-N	312.373	1.936	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)CSc2ccccc2O)CCO1	271917886	BLXZWQFQVDDUQR-GHMZBOCLSA-N	324.402	1.447	50	20	DDGD	
COC(=O)N(C)Cc1ccc(NC(=O)NNC(=O)C2CC2)cc1	274187425	YZVXMCMOUUPWBJ-UHFFFAOYSA-N	320.349	1.448	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc(OC2COC2)cc1	275398605	DMYLMLATHMEHRF-UHFFFAOYSA-N	307.350	1.663	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H]2CCc3[nH]ncc3C2)cc1	270128231	MUODPUROJBRKDZ-ZDUSSCGKSA-N	312.373	1.538	50	20	DDGD	
O=S(=O)(CBr)N1C[C@H](O)Cc2ccccc21	278873933	YVYTXOSRGNTTGQ-SECBINFHSA-N	306.181	1.092	50	20	DDGD	
CSSCCNC(=O)N1C[C@H](C)O[C@]2(CCOC2)C1	375115146	TWRNBOVBZKCENL-CMPLNLGQSA-N	306.453	1.587	50	20	DDGD	
Cc1cc(F)ccc1-n1cc(C(=O)NNC(=O)NC(C)C)nn1	271094628	LINSUWYGYFSFAT-UHFFFAOYSA-N	320.328	1.067	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1c(F)cccc1F	272367883	RFYUMFVATPNJNT-QMMMGPOBSA-N	317.292	1.169	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)c1)NOC[C@@H]1CCOC1	276330675	SMGNKJCFCUINJM-SECBINFHSA-N	313.741	1.252	50	20	DDGD	
CC(C)OCCCNC(=O)/C(C#N)=C\c1cn(C(C)C)nn1	286950971	AQAWFEIQQFNOOC-JYRVWZFOSA-N	305.382	1.697	50	20	DDGD	
CN(C)C(=O)c1ccnc(NC(=O)NNC(=O)OC(C)(C)C)c1	285586340	WQPJDWRBBNWPAF-UHFFFAOYSA-N	323.353	1.345	50	20	DDGD	
CSSCCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1	286369068	IEEOXNVFGVBOIC-UHFFFAOYSA-N	323.421	1.665	50	20	DDGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NNc1ccccc1[N+](=O)[O-]	285150380	OQGDCWJJNPZPKK-ZANVPECISA-N	308.338	1.589	50	20	DDGD	
CCCc1nnc(NC(=O)NNC(=O)c2cccc(C)n2)s1	280473250	GQJBABDXVSCXJB-UHFFFAOYSA-N	320.378	1.661	50	20	DDGD	
CCc1oc(C=NNC(=O)c2ccncc2)cc1C(=O)OC	800803912	PFNQAYFACIYHSB-UHFFFAOYSA-N	301.302	1.788	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC=CCC1)Nc1ccc2c(c1)OCO2	802095619	LMHHABBTSZRUPJ-SNVBAGLBSA-N	303.318	1.924	50	20	DDGD	
COCCn1cc(C(=O)NNC(=O)CC2CC2)c2ccccc21	294232893	RQGFHFMXZXGJLR-UHFFFAOYSA-N	315.373	1.849	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNc2ncccc2F)nc1C	804215573	WGAAEEMYTPYPIC-UHFFFAOYSA-N	318.308	1.858	50	20	DDGD	
COc1cc(C)cnc1C(=O)NNC(=O)Nc1ccccc1	801991850	PCTLBBDMEFTLNN-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
O=C(CC[C@H]1CCCO1)NNC(=O)c1ccc(Cl)cc1O	298906614	CQLZGQZPKIETGA-SNVBAGLBSA-N	312.753	1.766	50	20	DDGD	
COc1cccc(O[C@H](C)CNC(=O)NNc2ccncn2)c1	296548859	QTCXIDXEIZILLR-LLVKDONJSA-N	317.349	1.579	50	20	DDGD	
Cc1cccc(C)c1CCNC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	297341299	OFEMPQMPTMBTTL-ZFWWWQNUSA-N	319.405	1.744	50	20	DDGD	
CCCN1CCC[C@H]1CNC(=O)NNc1ccc(Cl)nn1	807550739	VYQXIHFYFLAKCR-JTQLQIEISA-N	312.805	1.631	50	20	DDGD	
COc1nnccc1NC(=O)NNC(=O)c1ccccc1C	808901893	FORMHLXOBLDJPC-UHFFFAOYSA-N	301.306	1.260	50	20	DDGD	
CCC[C@@H](CC)NC(=O)NNC(=O)c1ccc2c(c1)OCCO2	299370763	YIRTYWSRWDKHFY-GFCCVEGCSA-N	321.377	1.981	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)c1conc1C1CC1	290689895	FJZMNJXALKWIPE-UHFFFAOYSA-N	317.301	1.098	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCCC(C)(F)F	297130199	IXAFATWSMTWPRB-UHFFFAOYSA-N	315.320	1.613	50	20	DDGD	
CCOC(=O)COCCNC(=O)NNc1c(C)cccc1F	297728731	ZRWFAPWETPCYBH-UHFFFAOYSA-N	313.329	1.340	50	20	DDGD	
O=C(CSc1ccc([N+](=O)[O-])cc1)NNC(=O)CC1CC1	294127725	KVRYNUTZDXRPAC-UHFFFAOYSA-N	309.347	1.634	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1nc2cccnc2s1	806864451	MAEVBWCNMMTENQ-UHFFFAOYSA-N	306.738	1.892	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@H](O)c1ccccc1Cl	802027728	UOQMUMJLRCTTNK-GFCCVEGCSA-N	320.736	1.043	50	20	DDGD	
CC[C@@H](CO)C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	802046831	KHCOPYYPSDYRRO-QMMMGPOBSA-N	317.292	1.459	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)c1cccc(O)n1	803162009	QGPBCBRWZZUDAT-UHFFFAOYSA-N	320.736	1.585	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NN=c1sc2ccccc2n1C	807926123	XYAQNHXDJSGNFI-SNVBAGLBSA-N	321.402	1.761	50	20	DDGD	
CCC[C@H](C)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	291343716	WSESICIYYJNMAN-NSHDSACASA-N	313.423	1.816	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)Cc2ccc(F)cc2)on1	814756952	GKQOKBWJQFUUFL-UHFFFAOYSA-N	305.265	1.293	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNc2cccc(Cl)n2)c1	815726963	BTBLEKPHDAFDFA-UHFFFAOYSA-N	320.736	1.825	50	20	DDGD	
COCCC(COC)=NNC(=O)Cn1cnc2ccccc21	812223672	HVIUMAFRTUJBER-UHFFFAOYSA-N	304.350	1.191	50	20	DDGD	
C[C@H]1C[C@H]1c1ccc(CCC(=O)NNC(=O)c2ccnnc2)o1	817692572	UDYQWORXVSBTAO-GXFFZTMASA-N	314.345	1.587	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(C(C)C)nc1C	815506233	QEVAHGRKVWXMRO-UHFFFAOYSA-N	301.350	1.620	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2ccn(C)n2)n1	814709348	ACSXLOKGPIGFKX-UHFFFAOYSA-N	304.379	1.069	50	20	DDGD	
CC(CCc1ccc(OCC(=O)O)cc1)=NNC(=O)C(C)(C)O	814910473	XMCCIKNJRNTULU-UHFFFAOYSA-N	322.361	1.346	50	20	DDGD	
Cc1ccncc1NC(=O)C(=O)NNc1cccc(Cl)n1	815728068	RGXDULGLIWNQAF-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
Cc1cc(C#N)cnc1C(=O)NNc1cc(Cl)nc(N)n1	816046711	IFBZHYLYWUDCSD-UHFFFAOYSA-N	303.713	1.044	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(F)cc1)[C@@H](C)N1CCOCC1	729623027	FAWGVOKQRZJCML-VXGBXAGGSA-N	310.373	1.561	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1ccc(O)c(F)c1	728429187	AFQYGPQVVWVMQV-UHFFFAOYSA-N	319.292	1.395	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21	816829421	OYHBMFSVGZIPAU-QMTHXVAHSA-N	312.373	1.845	50	20	DDGD	
Cc1ccc(S(=O)(=O)NCC(=O)NNc2ccccc2)cc1	825130794	HXSDZPNVTOQMTA-UHFFFAOYSA-N	319.386	1.417	50	20	DDGD	
Cc1cn(-c2ccc(F)cc2)nc1C(=O)NN(C)C[C@@H](C)O	821217570	LGIKWOQLXVWWFZ-LLVKDONJSA-N	306.341	1.277	50	20	DDGD	
CCO[C@H]1C[C@H](NCC(=O)NNC(=O)C(C)C)C12CCCC2	829634104	AYOUWMYSNKTQPK-STQMWFEESA-N	311.426	1.117	50	20	DDGD	
Cc1cn2ccc(NC(=O)NNC(=O)[C@H]3CCO[C@H]3C)cc2n1	825928089	MJFSWAXJZHAAMN-JQWIXIFHSA-N	317.349	1.220	50	20	DDGD	
COCCCNC(=O)NNC(=S)N[C@H](C)c1cccs1	726482924	PDTUXEVYGZPUAV-SECBINFHSA-N	316.452	1.524	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)c2ccccc2O)c2c1CCCC2	823860580	HFEAIILVIVLBGJ-UHFFFAOYSA-N	314.345	1.079	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)CCNC(=O)OC(C)(C)C)cn1	494952542	LMNFWGFZLHPCPL-UHFFFAOYSA-N	323.397	1.829	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1ccc(O)c(F)c1	728425444	GWOWZDOYUFHIJG-LLVKDONJSA-N	323.368	1.340	50	20	DDGD	
CC(C)(C)OC(=O)NC1(C(=O)NNC(=O)C2CCC2)CCC1	496297269	VBXIOAGUTIGYJH-UHFFFAOYSA-N	311.382	1.381	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccc(CO)cc2)o1	824632668	PEJJCIINURQGQP-UHFFFAOYSA-N	300.318	1.919	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1cc(C(=O)OCC)cnc1C	490847231	WYCQXSLKXJYLDU-XFXZXTDPSA-N	303.318	1.949	50	20	DDGD	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)NN(C)C1CC1	496046217	DQRZFPCOMHRXIK-CQSZACIVSA-N	305.378	1.469	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@@H]2CCS[C@@H]2C)c1	825551182	FNFLLVSUSUKTCB-DGCLKSJQSA-N	323.418	1.598	50	20	DDGD	
CCN(CCO)NC(=O)c1nn(-c2ccc(F)cc2)cc1C	823884639	CPJQOZVBNYXQNP-UHFFFAOYSA-N	306.341	1.279	50	20	DDGD	
CCN(CCO)NC(=O)CCc1cccc(OC(C)(C)C)n1	823864795	DHEGNRMTRBRLGM-UHFFFAOYSA-N	309.410	1.537	50	20	DDGD	
COc1cc(C(=O)NC[C@]2(C)C[C@@H]2Br)ncn1	826856557	DYBPKQCWBQTWRI-KWQFWETISA-N	300.156	1.389	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(Cl)cc2F)CO1	827612247	LDJMICYXIDBOAT-IONNQARKSA-N	315.732	1.601	50	20	DDGD	
Cc1cc(C(F)(F)C(=O)NN(C)[C@H](C)CO)cnc1Cl	823384886	WQSCUXNPVBUMDT-MRVPVSSYSA-N	307.728	1.479	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cn(-c2cc(C)cc(F)c2)nn1	496744129	GXXGSFUVUGXRNQ-UHFFFAOYSA-N	307.285	1.058	50	20	DDGD	
CC(C)[C@H](NC(=O)NNC(=O)c1cccc(F)n1)C(F)(F)F	823786638	IKVPWICABWGQKB-VIFPVBQESA-N	322.262	1.752	50	20	DDGD	
COc1ccc(C(=O)NN(C)C[C@@H](C)O)cc1Br	824698934	PXXHYEWFQVPMBL-MRVPVSSYSA-N	317.183	1.415	50	20	DDGD	
Cc1cccc([C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C2)c1	584975874	OOFAROYYJZLFQS-MRXNPFEDSA-N	309.174	1.305	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CO[C@H](C)C2)c1F	828440886	WXHAHWMDHFQMSF-RKDXNWHRSA-N	311.313	1.416	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)C(C)(C)c1ccc2c(c1)OCCO2	823965411	MLKNCWOTCWLBAE-LLVKDONJSA-N	308.378	1.079	50	20	DDGD	
CCOCC(=O)NN=C1C(=O)N(CC(C)C)c2ccccc21	731152296	CKXXOUFWQAFOHZ-UHFFFAOYSA-N	303.362	1.546	50	20	DDGD	
CCN(CC)CCC[C@@H](C)NC(=O)/C(C#N)=C/c1cnn(C)c1	491175184	KHARMQZPVXPSRP-DWKHYPNZSA-N	317.437	1.954	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCCCCC#N)cc1F	838287435	AWHLJOXPWHNJLS-UHFFFAOYSA-N	308.313	1.932	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NNC(=O)Cc1ccncc1	491162702	TXEBDVUJWINPQI-NTEUORMPSA-N	322.324	1.084	50	20	DDGD	
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CC[C@H](B(O)O)C2)c1	585070110	WETCTGPBVCFCGX-KGLIPLIRSA-N	319.210	1.961	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1ccc(Cl)nc1)C1CCOCC1	834941432	BXEFFXTVRZCJOS-LBPRGKRZSA-N	311.769	1.892	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](CNCc2ccc(B(O)O)cc2F)CCO1	585044148	ZNFACKNRWHIWEI-LRDDRELGSA-N	309.190	1.046	50	20	DDGD	
CC(=NNC(=O)CSc1nc(C)cc(C)n1)c1cnccn1	734743883	PRUKJUZQMUNOFJ-UHFFFAOYSA-N	316.390	1.516	50	20	DDGD	
Cn1cc(CCC(=O)NNc2ccc(Br)nc2)cn1	732837566	LMKXJJJPLZUPFV-UHFFFAOYSA-N	324.182	1.654	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C2=CC[C@@H](C)CC2)c1O	839567488	LQNMTHZPDXHVCR-SNVBAGLBSA-N	304.346	1.908	50	20	DDGD	
CC(=O)Nc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	831127181	FSHBZIKMGGSGRQ-NOZJJQNGSA-N	320.349	1.223	50	20	DDGD	
O=C(NN=Cc1ccc2c(c1)OCCCCO2)c1cnccn1	834938222	DEGYMOSVJITOOR-UHFFFAOYSA-N	312.329	1.792	50	20	DDGD	
CNC(=O)NNC(=O)[C@@H](CC(C)C)N1Cc2ccccc2C1=O	906394527	UGAJWUWQSGGMQE-CYBMUJFWSA-N	318.377	1.017	50	20	DDGD	
Cc1ncc(C(=O)N2CC[C@H](B(O)O)C2)c(Cl)c1Cl	585074115	UBJQWXHGKGZLPK-ZETCQYMHSA-N	302.954	1.386	50	20	DDGD	
CO[C@@H]1C[C@@H](NC(=O)NNc2nc3ccccn3n2)C12CCC2	838770489	XLBTXOBFNPJIPL-GHMZBOCLSA-N	316.365	1.313	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CCNC2=O)ccc1Br	830805740	BPFQADINOLPUFF-SECBINFHSA-N	312.167	1.337	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2	730781541	QXVXHVLBLMZYMP-AVGNSLFASA-N	318.373	1.745	50	20	DDGD	
O=C(NN=Cc1ccoc1C(=O)O)Nc1ccc(C(=O)O)cc1	833149327	MVSGBBMIULVSTB-UHFFFAOYSA-N	317.257	1.832	50	20	DDGD	
C[C@H]1CCCCN1[C@H](C)CNC(=O)NNC(=O)c1ccc[nH]1	916446953	FEULLKFEGMRGSE-NWDGAFQWSA-N	307.398	1.222	50	20	DDGD	
C[C@@H]1CC[C@@H](CCC(=O)NNC(=O)c2cccc(C#N)c2)O1	743335634	WTLWKQVVYRIOSW-RISCZKNCSA-N	301.346	1.667	50	20	DDGD	
O=C(NNC(=O)c1ncccn1)Nc1cnc2c(c1)CCCC2	841685215	SVXUMJVFUPZTNF-UHFFFAOYSA-N	312.333	1.217	50	20	DDGD	
CO[C@H]1c2ccccc2C[C@H]1NC(=O)NNC(=O)C1CCCC1	840406317	GCXAXPSQLFSTCY-CABCVRRESA-N	317.389	1.819	50	20	DDGD	
C[C@@H]1CCC[C@@H](CNC(=O)NNC(=O)c2ncccn2)[C@@H]1C	841585391	DBENLKIHRMJUPE-UTUOFQBUSA-N	305.382	1.493	50	20	DDGD	
Cc1cc(C(=O)NNc2ncnc3[nH]cnc23)c2c(C)noc2n1	743469198	OJZWYKFDJPQFJN-UHFFFAOYSA-N	324.304	1.263	50	20	DDGD	
Cc1nc(-c2ccc(C(=O)NNC(=O)CC(C)C)cc2)n[nH]1	746112309	YFXHTKDBOGACSF-UHFFFAOYSA-N	301.350	1.587	50	20	DDGD	
CC(C)(C)OC(=O)CCCNC(=O)NNC(=O)C1CCCC1	745930447	FAIBPEVYTPCNAX-UHFFFAOYSA-N	313.398	1.629	50	20	DDGD	
CC[C@H](C#N)C(=O)NNC(=O)c1ccc(Br)s1	845092257	KPLQNQZHWVBATF-ZCFIWIBFSA-N	316.180	1.821	50	20	DDGD	
C[C@H](COCC1CC1)NC(=O)NNC(=O)Cc1ccccc1F	845581460	ZCGWJPZCKACLMB-LLVKDONJSA-N	323.368	1.514	50	20	DDGD	
Cc1nc(SCCC(=O)NNC(=O)c2ccccc2F)n[nH]1	746013686	JWDXACBJPVJUTQ-UHFFFAOYSA-N	323.353	1.196	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)Cc1csc(Cc2ccccc2)n1	910171575	YHQNBDZAUKMBOD-GFCCVEGCSA-N	319.430	1.620	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)Cc1nc(C2CC2)nn1C	843855812	CHZCQBXDGYXXEV-UHFFFAOYSA-N	303.341	1.826	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cnc2ccccc12	843656695	YVZITSYINSQQFX-DGCLKSJQSA-N	313.357	1.729	50	20	DDGD	
C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)NNC(=O)c1ncccn1	841579631	OGTOOEYMWVELGV-GHMZBOCLSA-N	305.382	1.635	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H]1CCCc2nn[nH]c21	847116625	PHNHAMWRORBWCD-SNVBAGLBSA-N	314.349	1.386	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1csc(-c2ccoc2)n1	843650668	GBNHCMMUJNKULQ-WPRPVWTQSA-N	321.358	1.589	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCCNC2CC2)c1F	841918662	SRTNXNUIHNJKJL-UHFFFAOYSA-N	324.356	1.381	50	20	DDGD	
CO[C@](C)(C1CC1)[C@@H](C)NC(=O)NNc1ccc(Cl)nn1	840416867	NGVNHLZNFGIMEM-OQPBUACISA-N	313.789	1.960	50	20	DDGD	
O=C(O)NNC(=O)Nc1ccc(OCc2ccncc2)cc1	740004049	YZCNKAZJTLCELV-UHFFFAOYSA-N	302.290	1.965	50	20	DDGD	
CCc1cc(CNC(=O)NNC(=O)c2ccc(C#N)cc2)on1	741277490	PGYFGLFKCBQJPI-UHFFFAOYSA-N	313.317	1.253	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc(C(=O)OC)c(F)c1	849177862	SVEFQOHCSIFDEY-XFFZJAGNSA-N	306.293	1.282	50	20	DDGD	
CO[C@H](C=NNC(=O)COCc1ccccc1)[C@H]1CCOC1	841626930	UYSRLBNMEXKQQO-LSDHHAIUSA-N	306.362	1.357	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1cc(C(=O)O)ccc1O	842555873	RMOINEVIRPPKAP-MWLCHTKSSA-N	306.318	1.356	50	20	DDGD	
COc1ccccc1NCC(=O)NN=Cc1cc(C)nn1C	841602613	GYCMFXNCIHBRAA-UHFFFAOYSA-N	301.350	1.299	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1C1CC1	843658669	FJZNSFWRZIBLKV-CMPLNLGQSA-N	320.393	1.357	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1cncc(C)c1	742471994	LYIZZLNBVHTYEI-UHFFFAOYSA-N	315.329	1.239	50	20	DDGD	
CC(C)(O)C(=O)NNc1ccccc1I	921427281	GHJQCRDNEBVIDK-UHFFFAOYSA-N	320.130	1.505	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H]2CCN(C)[C@@H]2C)c1	843753034	ITCSXRQSHNXGGS-ZIAGYGMSSA-N	319.405	1.170	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(C)c(-c2nc(C)co2)c1	757710471	YLUYZKWNSYRYBF-UHFFFAOYSA-N	318.333	1.758	50	20	DDGD	
C[C@@H](CC(=O)NNc1nc(O)c2cnn(C)c2n1)c1ccco1	859375456	TWBVGZUBEBDJBN-QMMMGPOBSA-N	316.321	1.299	50	20	DDGD	
CCOc1cccc(CCC(=O)NNC(=O)NCCCOC)c1	858782028	OPWDHTNDEJNYDP-UHFFFAOYSA-N	323.393	1.385	50	20	DDGD	
NC(=O)[C@@H](Cc1ccccc1)NNC(=O)c1cccc(Cl)c1	758144722	WSCHXEPXJMLUHR-CQSZACIVSA-N	317.776	1.671	50	20	DDGD	
CCCNC(=O)NN=C(C)c1ccc(OCC(=O)N(C)C)cc1	920989137	CHWMSPDIUSYNBJ-UHFFFAOYSA-N	320.393	1.587	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn(-c3cccnc3)c2)o1	759833712	LAWKOVWPRGPOAA-UHFFFAOYSA-N	311.301	1.244	50	20	DDGD	
O=C(NN=Cc1cn(-c2ccc(F)cc2Cl)nn1)C1CC1	755483414	DPRVMUGOWCIUPO-UHFFFAOYSA-N	307.716	1.920	50	20	DDGD	
CC(C)(C)OC(=O)NCCCCCC(=O)NN=Cc1cc[nH]n1	853413472	WOWIWUPGETUUTQ-UHFFFAOYSA-N	323.397	1.945	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@@H]1[C@@H]1CCCO1)c1cccc(F)n1	852708606	ABNHYPJODMZSQM-NEPJUHHUSA-N	322.340	1.219	50	20	DDGD	
CC[C@H]1CC(=NNC(=O)c2ccc(-n3cnnn3)cc2)CCO1	756823128	FEUUNKFGOSZUDM-AWEZNQCLSA-N	314.349	1.337	50	20	DDGD	
COc1cccc(C(=O)NNc2cc(Cl)nc(N)n2)c1O	753453905	LYAZAQPWQWQZBQ-UHFFFAOYSA-N	309.713	1.183	50	20	DDGD	
CCOCC(=O)NN=C1CC[C@@H](C(F)(F)C(=O)OCC)C1	752731564	YGYKGNRIUJGLRV-SECBINFHSA-N	306.309	1.494	50	20	DDGD	
CCNC(=O)NNC(=O)CSc1nc(-c2ccccc2)no1	755160888	FRXOENALPFVCNG-UHFFFAOYSA-N	321.362	1.179	50	20	DDGD	
O=C(NC[C@@H]1CCCN1CC(F)(F)F)NNc1cccnn1	926519870	NDMTULXYADHUNI-VIFPVBQESA-N	318.303	1.129	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cccnc2N2CCCC2)nc1	924817629	AMCXELKYYMRSGM-UHFFFAOYSA-N	308.345	1.705	50	20	DDGD	
COCCn1cc(CNC(=O)NNc2cc(F)ccc2C)cn1	854040512	DKAOEQJTOZKJAU-UHFFFAOYSA-N	321.356	1.803	50	20	DDGD	
C[C@@H](C(=O)NNc1cnnn1C)N(C(=O)OC(C)(C)C)C1CC1	857270862	RIWQKTCBVNKMHG-VIFPVBQESA-N	324.385	1.046	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccccc1OCC(F)F	757692426	NCBMEGANQSJHIW-UHFFFAOYSA-N	317.292	1.520	50	20	DDGD	
CC(C)CC1(CNC(=O)NNC(=O)c2cccc(F)n2)CC1	852196879	CSSTUJBZIPRSRW-UHFFFAOYSA-N	308.357	1.991	50	20	DDGD	
CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NNC(=O)c1cc[nH]n1	855357526	KIQGQKDVJMHZPZ-GVXVVHGQSA-N	308.382	1.545	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cnc(OCc2ccccc2)cn1	757767285	UQDBHZCNHRBVHG-UHFFFAOYSA-N	314.345	1.473	50	20	DDGD	
CC(C)(C)n1nnc(C=NNC(=O)CNc2ccccc2F)n1	853264288	XLHHDYLJTWHTGM-UHFFFAOYSA-N	319.344	1.129	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)c1cn[nH]c1)c1cccc(F)c1	858232274	VLKMSMHLGWMLRH-UHFFFAOYSA-N	319.340	1.471	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1coc(C2CC2)n1	854386417	MVTVNWHXXPUUSD-UHFFFAOYSA-N	311.338	1.102	50	20	DDGD	
CC(Cn1cncn1)=NNC(=O)[C@@H](C)CN1CCCCCC1	853281538	WHRQDCDIPJVEJS-ZDUSSCGKSA-N	306.414	1.282	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ncc(F)cc2F)c1	758287747	YACFPNLSXPKJLR-UHFFFAOYSA-N	302.240	1.306	50	20	DDGD	
COCCCOc1cccc(C(=O)NN(C)C(=O)OC)c1C	935908132	FYUKVCNNDPSTHB-UHFFFAOYSA-N	310.350	1.753	50	20	DDGD	
C[C@H](N)CCNC(=O)NNC(=O)Cc1ccc2ccccc2c1	857113593	BQILFMXIAUXVMN-LBPRGKRZSA-N	314.389	1.450	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1	853683818	WGMBHHGGNLYCRK-ZIAGYGMSSA-N	322.384	1.623	50	20	DDGD	
CC(C)C[C@@H](CCO)CNC(=O)NNc1ncc(Cl)cn1	856873802	WICWFTOHAVEZRM-SNVBAGLBSA-N	315.805	1.801	50	20	DDGD	
C=CC[C@H](CO)CNC(=O)NC[C@@]1(C)C[C@H]1Br	856954180	PIHMTLSINWBSAR-HOSYDEDBSA-N	305.216	1.644	50	20	DDGD	
CCCCC=NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1	755551319	KRPJZCISHHGCAS-UHFFFAOYSA-N	317.798	1.893	50	20	DDGD	
O=C(NNC(=O)c1csc(-c2ccccn2)n1)NC1CC1	751369970	RRBHFRLANWQDJP-UHFFFAOYSA-N	303.347	1.312	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1ccc(NC2CC2)nc1	757417467	DKJPUUYREKIHBD-UHFFFAOYSA-N	303.753	1.883	50	20	DDGD	
COc1cncc(C(=O)NC[C@@]2(C)C[C@@H]2Br)n1	857390941	JEKGQBAZLQNUTK-GZMMTYOYSA-N	300.156	1.389	50	20	DDGD	
Cn1c(C=NNC(=O)C(=O)Nc2ccccn2)nc2ccccc21	755769920	QWTRJWVAKBPEMW-UHFFFAOYSA-N	322.328	1.057	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cnn(-c2ccc(Cl)cc2)n1	751548206	HJUQTEXZFBSPNN-UHFFFAOYSA-N	307.741	1.338	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1scnc1C	750937080	QBYMYCPREFEEJW-UHFFFAOYSA-N	306.347	1.315	50	20	DDGD	
CC1=C(C(=O)NNC(=O)Cc2ccccc2F)CCN1C(C)C	932376428	JGJZTBDKWKBDCW-UHFFFAOYSA-N	319.380	1.904	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1c(O)cccc1F	863101119	JSCYVYBPVWBILV-UHFFFAOYSA-N	302.174	1.963	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNC(=O)Cc2ccccc2C)n1	866670418	LQOCRBASFKBXIG-CYBMUJFWSA-N	314.389	1.526	50	20	DDGD	
Cc1cccc2c1[C@H](C)CC2=NNC(=O)[C@@H](C)NS(C)(=O)=O	766706265	QWPZTKOKCFKWPQ-GHMZBOCLSA-N	323.418	1.260	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=C2CCc3cc(F)c(F)c(F)c32)N1	863150093	MKJSZDWNMSJQKB-VIFPVBQESA-N	311.263	1.149	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)Cc2cc(C)[nH]n2)c1	869012675	AFYFUAPXTAPXRU-GFCCVEGCSA-N	316.361	1.184	50	20	DDGD	
C[C@@H]1CCc2c(F)cccc2C1=NNC(=O)[C@H]1CCC(=O)N1	863149266	WFAXLYSQXKZTBI-NOZJJQNGSA-N	303.337	1.507	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1Cl	862451750	AKLIWKZTMGQHOK-BCPZQOPPSA-N	321.764	1.169	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)C(=O)NNc1nc2ccccc2[nH]1	768504176	HVSDAOYNVNVSSE-UHFFFAOYSA-N	312.333	1.239	50	20	DDGD	
CC(C)Cn1cc(C(=O)NNCC(F)(F)C(F)(F)F)cn1	863100034	NFUXLFMFAMRXLQ-UHFFFAOYSA-N	314.258	1.971	50	20	DDGD	
CCCCc1ccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1	860237601	HUZLCLIPNCDJIT-ZDUSSCGKSA-N	318.377	1.461	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CCC(=O)N1)c1c(F)cccc1Cl	863147767	LONKGQCAYIOQLD-NSHDSACASA-N	311.744	1.988	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)CCC(=O)OC(C)(C)C)C1CC1	768230035	CPUQSIPFSPDDFC-VIFPVBQESA-N	315.439	1.402	50	20	DDGD	
COC1CC(C(=O)NNC(=O)CSc2ccccc2O)C1	860491511	HTJVGWYCBBTEPK-UHFFFAOYSA-N	310.375	1.057	50	20	DDGD	
N#CC1=CCN(C(=O)C[C@H](NC(N)=O)c2cccs2)CC1	767176868	JVIXJPLMLYRRHF-NSHDSACASA-N	304.375	1.530	50	20	DDGD	
O=C(NNc1nccc2sccc12)[C@@H]1CN2CCCN1CC2	764271070	HQDZXXYYACBZEH-LBPRGKRZSA-N	317.418	1.129	50	20	DDGD	
CC(C)(C(N)=O)C(=O)NNC(=O)Cc1ccc2ccccc2c1	769903666	OPRQJSJTFWNNRJ-UHFFFAOYSA-N	313.357	1.041	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NN=c2sc3ccccc3n2C)CCO1	769734609	DHBJDVPRSMEXIB-WDEREUQCSA-N	320.418	1.922	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc(-c2cnc[nH]2)cc1	868619583	PKJNCXWMEJPZJO-CQSZACIVSA-N	314.345	1.407	50	20	DDGD	
Cc1cc(=NNC(=O)Cc2c(C)nn(C(F)F)c2C)cc[nH]1	862510288	ASHYHOONIDOMAJ-UHFFFAOYSA-N	309.320	1.706	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)Nc1ccc2ncnn2c1	861165534	KOSXCNYZAKPAFT-UHFFFAOYSA-N	324.213	1.553	50	20	DDGD	
CN1CCC[C@@H](NC(=O)[C@@H](Br)C(C)(C)C)C1=O	768226636	LLRZNPIMLRLIAT-RKDXNWHRSA-N	305.216	1.533	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)OC[C@@H]2COC(=O)O2)cc(C#N)n1C	763911185	SNQOFSSNSJZXBF-LXRBDXNZSA-N	315.285	1.191	50	20	DDGD	
Cc1nn(CC(=O)NN=c2cc[nH]cc2)cc1-c1ccccc1	768184771	JMEWVMMXVJKEOK-UHFFFAOYSA-N	307.357	1.819	50	20	DDGD	
CO[C@]1(CNC(=O)NNc2ccc(Cl)nc2)CCOC1	764810989	USNDPAJQUUCMKJ-LBPRGKRZSA-N	300.746	1.167	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@H]2CCCN2C2CCCC2)c1Cl	1116347362	ZUHAYLDVHCGRMQ-LLVKDONJSA-N	324.816	1.562	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C#N)c(Cl)c1	778543194	LDQUUNISZRYYBL-MRVPVSSYSA-N	323.736	1.314	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)CSc1ccc(C)cc1)C(C)C	770221955	YRCQMRRRAKGZKF-CQSZACIVSA-N	310.419	1.906	50	20	DDGD	
O=C(CN1Cc2ccccc2C1=O)NNc1cc(Cl)ccn1	778449291	DSHIUIARMSVJFI-UHFFFAOYSA-N	316.748	1.834	50	20	DDGD	
N#CSCCCNC(=O)c1ccc(C(=O)NC2CC2)cc1	773594391	TYJQPJZJSVSIRW-UHFFFAOYSA-N	303.387	1.913	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C(C)(C)c1ccc(C)cc1	772089259	BJXQVFWTZMFPPV-GFCCVEGCSA-N	320.389	1.762	50	20	DDGD	
CC[C@]1(C(=O)OC[C@@H](CBr)C2CC2)CCNC1=O	870046853	NNRAAMUIPPVKEP-MFKMUULPSA-N	318.211	1.867	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2cncn2-c2ccccc2)CC1(F)F	1117995442	NELJPFUKHCUGGG-CQSZACIVSA-N	320.299	1.679	50	20	DDGD	
N#CSCCCNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21	773586084	DBBSQFQGIABKLH-LLVKDONJSA-N	307.350	1.972	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)c1	874946456	JYGIJJCVHGBBQQ-OASPWFOLSA-N	323.393	1.877	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc[nH]1	875421822	UNSCWDFEUWOERD-MGPQQGTHSA-N	302.378	1.396	50	20	DDGD	
CNC(=O)NNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-]	773846457	FBVLEINOKGLYQB-UHFFFAOYSA-N	315.289	1.231	50	20	DDGD	
CN1CC[C@H](C(=O)NNC(=O)c2ccc3ccccc3c2)C1=O	772238736	VRQUTEDWSCEEQV-CQSZACIVSA-N	311.341	1.079	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1ccc(Cl)cn1	774386590	DMMAMHWPDAYSRP-UHFFFAOYSA-N	310.785	1.880	50	20	DDGD	
CN(C)C(=O)NNC(=O)C1(CCOCc2ccccc2)CC1	771287636	OAHWIGIFZJBXPY-UHFFFAOYSA-N	305.378	1.676	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2nccnc2OC)c(F)c1	776227799	MMEYDUGRSDBIAK-UHFFFAOYSA-N	320.280	1.168	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cnc(C3CC3)nc2)n1	775600511	GTYNSOVBQZMDKV-UHFFFAOYSA-N	301.310	1.301	50	20	DDGD	
CC1=C(C)C(=O)N(CCC(=O)NNc2ccc(F)c(F)c2)C1=O	885115417	IIKQDWLYDMJKJL-UHFFFAOYSA-N	323.299	1.503	50	20	DDGD	
COC[C@H](C)C(C)=NNC(=O)c1ccc(-n2cnnn2)cc1	777877659	QXCXZWQZKQYMRG-JTQLQIEISA-N	302.338	1.051	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccccn2)c(-c2ccccc2)n1	772555632	PAQRZOTUFNWOSJ-UHFFFAOYSA-N	321.340	1.557	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1ccccc1SC	776970566	MUFQRDJPXWMVDN-UHFFFAOYSA-N	311.407	1.318	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H](C)NC(=O)C(C)(C)C	772831354	ROKDKPVWOJMNBJ-JTQLQIEISA-N	307.398	1.594	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@@H](C)C(=O)c1cccc(F)c1	887144494	OVZTYDSEOBVPGN-GFCCVEGCSA-N	318.348	1.986	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1COCc2ccccc21	782170242	FMTNHJLEQACJAU-CYBMUJFWSA-N	317.389	1.005	50	20	DDGD	
O=C(CSCc1ccccn1)NNc1ncncc1Cl	781804533	JNGHGLJZUWNSOA-UHFFFAOYSA-N	309.782	1.902	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2cccnc2Cl)ccn1	787899404	AMFALDLSXSEPDJ-UHFFFAOYSA-N	306.709	1.674	50	20	DDGD	
CC(=NNC(=O)c1csc(N2CCOCC2)n1)[C@H]1CCCO1	783813948	WWUQKLBGWYKKIP-GFCCVEGCSA-N	324.406	1.264	50	20	DDGD	
C[C@@H]1C[C@H]1c1ccc(CCC(=O)NNC(=O)c2cccnn2)o1	882061374	FXVZZEIBZFCKOT-ZYHUDNBSSA-N	314.345	1.587	50	20	DDGD	
CCCCNC(=O)NN=Cc1c[nH]ccc1=NC(=O)C(C)(C)C	783834492	XHEWAKBFAHFLQA-UHFFFAOYSA-N	319.409	1.921	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCC(=O)NC(=O)NC1CCCC1	786671371	USXKTUOORRXKGO-XFFZJAGNSA-N	305.334	1.158	50	20	DDGD	
CN(C)N(C(=O)[C@H]1CCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1	781579501	AMVXMIDQYAGOFR-NWDGAFQWSA-N	302.440	1.305	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](C)Cc2cccnc2)o1	898333143	PAJSCQFTDXKSGE-SNVBAGLBSA-N	302.334	1.558	50	20	DDGD	
Cc1nc(CNS(=O)(=O)CBr)ccc1[C@@H](C)O	784346585	OLQZDIWXIZROIN-MRVPVSSYSA-N	323.212	1.215	50	20	DDGD	
COC(=O)COc1ccccc1/C=C(\C#N)C(=O)NC1CC1	899339044	UOAUTHYBIFBJEI-XYOKQWHBSA-N	300.314	1.424	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1csc(Nc2ccccn2)n1	780761146	KQAJKRSLJIBASV-UHFFFAOYSA-N	312.358	1.856	50	20	DDGD	
CO[C@@]1(C(=O)NNC(=O)c2cccc(Cl)n2)CCSC1	898783836	NBVCTMWWTUQSFV-LBPRGKRZSA-N	315.782	1.018	50	20	DDGD	
CN(C(=O)CCCC[C@H]1CCSS1)[C@@H]1COC[C@H]1O	899365422	GTXMTXCJIQXOOR-QJPTWQEYSA-N	305.465	1.919	50	20	DDGD	
Cc1ncc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])c(C)n1	791067132	QPXNCEIVIMFZPE-UHFFFAOYSA-N	305.269	1.898	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)COc2cccc(C)c2)no1	895412628	ZMFBJUSJANABST-UHFFFAOYSA-N	303.318	1.385	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)c1c[nH]c2ccccc12	792842146	FWYUHBOPZSLGNB-HZMBPMFUSA-N	303.362	1.990	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)CC(C)(C)C)c(F)c1	790387660	CGVUIOIJKZBSIC-UHFFFAOYSA-N	318.370	1.580	50	20	DDGD	
C[C@@H](NC(=O)NNc1nc2ccccn2n1)[C@H]1CCCOC1	790466649	YKFLQNTVABXYCC-MNOVXSKESA-N	304.354	1.171	50	20	DDGD	
CCc1occc1C(=O)NNC(=O)c1c(C)nc2ccccn12	797701886	JDGOFBZHHWPBPJ-UHFFFAOYSA-N	312.329	1.873	50	20	DDGD	
COCC(C)(C)N(C)CC(=O)NNC(=O)c1cccc(C)c1	795186685	BIADMUOYBPLIQX-UHFFFAOYSA-N	307.394	1.113	50	20	DDGD	
CCc1ccccc1OCCC(=O)NNC(=O)c1c[nH]nc1C	796247410	MYYMAHHVXAFXLO-UHFFFAOYSA-N	316.361	1.511	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCC[C@H]1c1ccccn1	794916508	ZWNLINBJCZQULW-OLZOCXBDSA-N	305.378	1.873	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ncsc1C(F)(F)F	792083853	PUAQBWRDRAHZFI-UHFFFAOYSA-N	310.301	1.906	50	20	DDGD	
Cc1cc(CC(=O)NN=C2CC[C@H](C)C[C@@H]2n2cncn2)n[nH]1	794489775	DABCYTIYYVPNPO-HZMBPMFUSA-N	315.381	1.386	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1	798286177	RSMIRUMORLGCPC-JIMOISOXSA-N	322.336	1.418	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)[C@H]1COCCN1C1CCCC1	793824665	OGEVDXSUBYJIJS-CQSZACIVSA-N	324.812	1.243	50	20	DDGD	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)NN(C)C(N)=O	795227315	YKLULUROHMBXCI-UHFFFAOYSA-N	308.725	1.959	50	20	DDGD	
COCc1nc(C(=O)NNC(=O)c2ccc(OC)cc2)cs1	1322021399	YVOYGEJLJKMDKX-UHFFFAOYSA-N	321.358	1.373	50	20	DDGD	
COc1ccc(OC)c(C(C)=NNC(=O)C[n+]2ccccc2)c1	1328384745	QGIDCUDWUQNLIA-UHFFFAOYSA-O	314.365	1.532	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)C(=O)OC)C(C)(C)c1ccccc1	1323455706	QOVIGFXZSKLBNL-LBPRGKRZSA-N	321.377	1.246	50	20	DDGD	
Cc1cc(=NNC(=O)Nc2ccnn2C[C@@H]2CCOC2)cc[nH]1	1329402936	NNMCVIYWZDISBF-LBPRGKRZSA-N	316.365	1.194	50	20	DDGD	
Cc1cc(Cl)cc(C)c1NC(=O)C(=O)NNC(=O)C1CC1	1320554054	AYNAWFIGUMTNEA-UHFFFAOYSA-N	309.753	1.453	50	20	DDGD	
C[C@@]1(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C[C@@H]1Br	1337300578	RSVNTMJWJJNBMV-OBBGECFZSA-N	318.211	1.328	50	20	DDGD	
C[C@]1(CNC(=O)COCc2ccncc2)C[C@@H]1Br	1334835432	VNWXIIKHAFBRKV-WCQYABFASA-N	313.195	1.888	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NCC(F)(F)F)ccc2cncn12	1256497273	XACRRGNDALSYNC-UHFFFAOYSA-N	315.255	1.149	50	20	DDGD	
COc1ncc(C(=O)OC[C@]2(C)C[C@H]2Br)cn1	1346559318	YKWMLCNIIONYBI-KCJUWKMLSA-N	301.140	1.816	50	20	DDGD	
CC(C)C(=O)Nc1ccc(C(=O)NNc2ccn(C)n2)cc1	1344050027	URZVPCOXZONEAJ-UHFFFAOYSA-N	301.350	1.772	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)cc1O	1341962632	JVPDJRANDAYWDQ-UHFFFAOYSA-N	314.345	1.377	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@H]1CCC[C@H]1OC	1353690088	SYHOZMQLTOZMHV-GXTWGEPZSA-N	306.362	1.200	50	20	DDGD	
NS(=O)(=O)[C@H]1CCCN(C(=O)C2CCC(Cl)CC2)C1	1519776982	RHJSHKWWXVTLHE-ILDUYXDCSA-N	308.831	1.064	50	20	DDGD	
C[C@H]1COCCC1=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1609176776	FUDGBZKKZSAXJQ-VIFPVBQESA-N	300.322	1.009	50	20	DDGD	
Cc1cccc(Br)c1NNC(=O)[C@H]1C[C@H]1C(=O)O	1600511051	QASPJVZKQPXZMB-JGVFFNPUSA-N	313.151	1.921	50	20	DDGD	
O=C(O)CC1(CC(=O)NNc2nccnc2Cl)CCCC1	1608677249	CHSKFGCRSICUIM-UHFFFAOYSA-N	312.757	1.998	50	20	DDGD	
CC(CCC(=O)O)=NNC(=O)CN1CCCc2ccccc21	1604129801	HKHDNJTUNCOBOK-UHFFFAOYSA-N	303.362	1.796	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)C(=O)NNc1ccc(C(=O)O)cn1	1600669686	URPCQIWAIZWVSF-ZETCQYMHSA-N	303.322	1.367	50	20	DDGD	
COC(=O)CCCCC(=O)NNc1ccc(C(=O)O)c(F)c1	1606453804	SNWZITMYPMMCJS-UHFFFAOYSA-N	312.297	1.700	50	20	DDGD	
COc1ccc(NNC(=O)C2(C(=O)O)CCC2)c([N+](=O)[O-])c1	1604821008	CUSJKHXOVHFQSE-UHFFFAOYSA-N	309.278	1.301	50	20	DDGD	
COC(=O)[C@H]1CCC[C@H](C(=O)NNc2cccc(C(=O)O)c2)C1	1610161555	OFOOLTQVOJKSDD-JQWIXIFHSA-N	320.345	1.807	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@]1(C)CC1(F)F	1610286213	SUJIYVWLBSAFHM-LBPRGKRZSA-N	300.261	1.882	50	20	DDGD	
O=C(NCCc1ccncc1)NNc1cccc(C(=O)O)c1	1610695644	MROOGSHCXSCWKS-UHFFFAOYSA-N	300.318	1.649	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCO[C@H]1c1ccnn1C)c1ccc[nH]1	1549316260	OENKPGJHELOPPY-SWLSCSKDSA-N	315.377	1.756	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cc(Cl)ccc2O)nc1	1610836087	XOEJBJXFINGIRW-UHFFFAOYSA-N	307.693	1.896	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccc3oc(O)nc3c2)nc1	1610836106	YUAHDVVOLKPQBK-UHFFFAOYSA-N	314.257	1.384	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@@H]1C=NNC(=O)c1ccon1	1553287587	GGUIJKBNKVBDMP-PWSUYJOCSA-N	303.322	1.384	50	20	DDGD	
O=C(NNc1ccccc1Cc1ccccc1)[C@H]1COCCN1	1574334307	NXMGADYVOTWRFF-QGZVFWFLSA-N	311.385	1.709	50	20	DDGD	
C/C=C(/C)C(=O)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846389041	WYVAACYMAHAQOJ-OQFOIZHKSA-N	305.205	1.960	50	20	DDGD	
C=CCCOCCNC(=O)NNc1ccc(C(=O)O)cc1F	1588813599	WUMVSHMDPNKROM-UHFFFAOYSA-N	311.313	1.743	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)Cc2cc[nH]n2)C1	1845827574	LJJNSWDXTHRSCG-GFCCVEGCSA-N	324.812	1.173	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CSCN1)c1ccc(Cl)cc1Cl	1580736428	SNVJUGNQPZHGIV-VIFPVBQESA-N	320.201	1.417	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)[C@@H]1CC[C@@H]2CCCC[C@@H]2N1	1580733517	WZELMHRSGNXFMN-VRPMWHRCSA-N	321.421	1.012	50	20	DDGD	
CC(C)NCCC(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843363093	QEMVOXKUPKYOTP-LBPRGKRZSA-N	319.808	1.112	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1cn2ccnc2s1	1594781887	WOMMAQJSOIHQEK-UHFFFAOYSA-N	303.303	1.246	50	20	DDGD	
Cc1c(NNC(=O)C2(CC(=O)O)CCC2)cccc1[N+](=O)[O-]	1594269162	YPKLAYGPNDRFTL-UHFFFAOYSA-N	307.306	1.991	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)C(=O)NNc1ccc(C(=O)O)c(F)c1	1592909190	QOSMHDKQDHZJJQ-SECBINFHSA-N	320.324	1.579	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(CC(=O)O)cc2)c(O)c1	1599483849	JZNANOPQCLCVIE-UHFFFAOYSA-N	316.313	1.785	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NN=C1CCCc2oc(C(=O)O)c(C)c21	1776102358	NYONRQFCLTWALR-CABZTGNLSA-N	320.345	1.868	50	20	DDGD	
O=C(O)c1cccc(C=NNC(=O)c2cn3c(n2)CCCC3)c1	1776105562	QNQYSZMIWSMUIR-UHFFFAOYSA-N	312.329	1.682	50	20	DDGD	
O=C(O)c1ccc2[nH]cc(C=NNC(=O)[C@@H]3CCCCO3)c2c1	1776077687	QRWQVYDVNIXJOI-AWEZNQCLSA-N	315.329	1.885	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1c(F)cc(C(=O)O)cc1F	1776082239	DWTHSYWVVWSEHT-VXNVDRBHSA-N	312.272	1.538	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2cccc(F)c2C(=O)O)cs1	1776029059	KSQBCHALQXRRFA-UHFFFAOYSA-N	321.333	1.982	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2cc(C(=O)O)c(C)[nH]2)cc1O	1776103447	JNXLASLZGOUUTG-UHFFFAOYSA-N	301.302	1.799	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNc1ccc([N+](=O)[O-])cc1	150877281	KYIBYWLFEUVXQK-UHFFFAOYSA-N	312.285	1.989	50	20	DDGD	
C=C(C)C[C@H](C)C(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C	274561144	WKYWJPITGNGATA-QWRGUYRKSA-N	313.398	1.649	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)c2cc3occc3[nH]2)cc1	151203216	HJQIXXNUIYZAIX-UHFFFAOYSA-N	324.296	1.473	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCc2cc(F)ccc2F)[nH]n1	153034947	NJPJJFZARSRJGF-UHFFFAOYSA-N	308.288	1.390	50	20	DDGD	
CCNC(=O)c1ccc(C)c(NC(=O)NNc2ncccn2)c1	155526673	NCMVTGDLVODYBF-UHFFFAOYSA-N	314.349	1.683	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H](C)CN2CCC[C@@H](C)C2)nc1	157508829	KGWLSBXFEWIUFT-CHWSQXEVSA-N	321.425	1.837	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H](NC2CCOCC2)C(C)C)n1	157179633	BNZNNPLDTDHGHA-AWEZNQCLSA-N	321.425	1.330	50	20	DDGD	
CN(CCc1nccs1)CC(=O)NNC(=O)c1ccccc1	157722451	QPMJUOREPLCSPJ-UHFFFAOYSA-N	318.402	1.079	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccc[nH]2)ccc1[N+](=O)[O-]	159161695	GMQFIVXPVKTRCC-UHFFFAOYSA-N	304.262	1.006	50	20	DDGD	
CNC(=O)CCN(C)S(=O)(=O)c1ccc(CCCl)cc1	221039175	IPDIOTJBKMUWMK-UHFFFAOYSA-N	318.826	1.225	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)OC(C)(C)C)CC1(C)OCCO1	493270495	VDCQXGOIVGGVBV-SNVBAGLBSA-N	317.386	1.515	50	20	DDGD	
CCn1cc(NC(=O)NNC(=O)Cc2ccccc2OC)cn1	55083959	IFYPTDNKULHIOY-UHFFFAOYSA-N	317.349	1.307	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1C(=O)NNC(=O)Cc1cccnc1	103423525	MFWGQFIIAOMVMU-UHFFFAOYSA-N	315.377	1.116	50	20	DDGD	
COCC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	170628656	XNGXYKGJOALGJL-LLUUXILJSA-N	300.362	1.653	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cc(C)ccc1O	55352726	XRHIIRVMYFZNEV-UHFFFAOYSA-N	314.341	1.713	50	20	DDGD	
CO[C@H](C)C(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1	55118091	DQVONPLQRYGTAG-VXGBXAGGSA-N	316.357	1.789	50	20	DDGD	
CSCc1ccc(C(=O)NNC(=O)c2c[nH]nc2C)cc1	110758825	HCJFOHBNZIIZIP-UHFFFAOYSA-N	304.375	1.656	50	20	DDGD	
N#CCCCCNC(=O)NNC(=O)c1ccc2ccccc2n1	170886508	FXAQTXUFYMALKQ-UHFFFAOYSA-N	311.345	1.873	50	20	DDGD	
CCCN1CCC(NC(=O)NNc2ccc(Cl)nn2)CC1	107328395	JNICLKJBMXPXLW-UHFFFAOYSA-N	312.805	1.631	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)CCn1cccn1	68195214	GHIARJANLMAEEM-UHFFFAOYSA-N	300.362	1.444	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NNc1ccc(F)cc1F	113433193	JPQCYMODXKHVDX-KOLCDFICSA-N	300.305	1.992	50	20	DDGD	
Cc1ccc(NNC(=O)NCCc2ccc(F)cc2F)nn1	69956524	QTFGTRWTKOMZDV-UHFFFAOYSA-N	307.304	1.932	50	20	DDGD	
O=C(CSc1cnn[nH]1)NNC(=O)c1ccc(Cl)cc1	177371883	BUOCAAIQAZAJSF-UHFFFAOYSA-N	311.754	1.011	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](C)c2c(C)noc2C)n1	174475414	QATGTLLGCOSWPT-QMMMGPOBSA-N	305.338	1.645	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCc1ccc(OC)c(OC)c1	64426278	QGHOHTNRYALBTA-UHFFFAOYSA-N	323.393	1.767	50	20	DDGD	
CCN(CC)[C@H](CNC(=O)NNc1cccnn1)CC(C)C	172441319	JQURGHXOZHYHRW-ZDUSSCGKSA-N	308.430	1.859	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1c(C)nn(-c2ccccc2)c1C	65190792	ZCOSTOVVJVLCIJ-UHFFFAOYSA-N	315.377	1.382	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)CCC1CCOCC1	173159814	NOYXHUGMMHENCL-UHFFFAOYSA-N	320.389	1.679	50	20	DDGD	
CCCCNC(=S)NNC(=O)NCCc1cccs1	64937262	VHBNOZCVCWBAAB-UHFFFAOYSA-N	300.453	1.769	50	20	DDGD	
COCCCNC(=O)NNC(=O)COc1cccc(Cl)c1	65207722	PUFZVMGWYZPUCD-UHFFFAOYSA-N	315.757	1.086	50	20	DDGD	
CCN1CCO[C@H](C(=O)NNc2cc(F)c(F)cc2F)C1	128000199	NYAUZWJEWKJHGN-LBPRGKRZSA-N	303.284	1.268	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cccc(NC(N)=O)c2)cc1	61473799	NFKTXIAPUWGOPX-UHFFFAOYSA-N	323.312	1.124	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)CN1	125448144	RHJTXJGRUHRRIS-SSDOTTSWSA-N	312.713	1.218	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C(C)(C)c2cccc(F)c2)cn1	121590308	WMUFMZRXRXAXGZ-UHFFFAOYSA-N	304.325	1.298	50	20	DDGD	
O=C(NNc1ccccn1)[C@H]1CCCCN1C(=O)c1ccco1	181252822	LBDXQWKZOWWBKF-GFCCVEGCSA-N	314.345	1.813	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)[nH]n1	32148636	UFHMLQOBWYQEJV-UHFFFAOYSA-N	316.405	1.950	50	20	DDGD	
Cc1ccc(NC=C(C#N)C#N)cc1S(=O)(=O)NC1CC1	76935429	KNBHHSBHMLTDOA-UHFFFAOYSA-N	302.359	1.779	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2cccc(F)c2)c(C)n1	120934701	GLJJPEJUKZZOLL-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)C[C@@H]1CCCCO1	123776950	ZDTQMQKATWHRNG-ZDUSSCGKSA-N	306.362	1.431	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@H]2CCOc3ccccc32)n1	183535419	UOTDKZHQOVRIOC-VIFPVBQESA-N	319.752	1.722	50	20	DDGD	
Cc1csc([C@@H](C)CNC(=O)NNC(=O)c2ccc[nH]2)n1	186819787	PFTJDYCOONALQB-QMMMGPOBSA-N	307.379	1.527	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@H](C)c2ccccc2)n1	42846981	APOOMHNXGYEBGS-CYBMUJFWSA-N	315.377	1.592	50	20	DDGD	
C[C@H](OCC1CC1)C(=O)NNc1nc2ccccc2c(=O)[nH]1	137225532	JWUJOVGLCLRDAI-VIFPVBQESA-N	302.334	1.181	50	20	DDGD	
CCN(CC)C(=O)CCCNC(=O)NNC(=O)C(C)(C)C	79479244	OESBWQQOGJBORC-UHFFFAOYSA-N	300.403	1.012	50	20	DDGD	
Cc1cc(C)nc(NC(=O)C(=O)NNC(=O)CC2CCCC2)c1	193811438	GTJUYTQDKOELTF-UHFFFAOYSA-N	318.377	1.365	50	20	DDGD	
COc1cccc(CNC(=O)NNC(=O)Cc2ccncc2)c1	83064557	ZJDCGWQUHLFRPH-UHFFFAOYSA-N	314.345	1.163	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cn(C)c(=O)cc2C)cc1	131522347	IIJPWLMBBAFPIH-UHFFFAOYSA-N	314.345	1.084	50	20	DDGD	
CC[C@@H](C)CC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	190578328	CILMAAIPVCZBEN-SNVBAGLBSA-N	305.378	1.826	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCCNC(C)=O)cc1	194483313	PVFKXNNQEXYMQJ-GXDHUFHOSA-N	301.346	1.245	50	20	DDGD	
CCCCOCCNC(=O)NNC(=O)CCOc1ccccc1	141397813	YTHHRYQDRKNGQI-UHFFFAOYSA-N	323.393	1.603	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)c2ccc3c(c2)OCO3)cc1	254840636	GPHVRTQJRGIASS-UHFFFAOYSA-N	312.281	1.877	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cncc(F)c2)n1	268588345	LKHKQRKOJBJXFZ-UHFFFAOYSA-N	304.329	1.614	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)N[C@H]2CCSC2)cc1	266523391	IDUZIVRQXFKAHV-LBPRGKRZSA-N	323.418	1.464	50	20	DDGD	
Cc1noc(CCCNC(=O)NNc2cncc(Cl)n2)n1	263877609	OLUGFSMUKYGLKT-UHFFFAOYSA-N	311.733	1.080	50	20	DDGD	
C[C@H]1C(=O)CC[C@H](C(=O)NNC(=O)c2ccccc2O)C1(C)C	275513441	XQDRTSJBJUXCQG-CMPLNLGQSA-N	318.373	1.795	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cn(C)nc2C(C)C)nc1	270367250	KVEUGTAIXSDMRH-UHFFFAOYSA-N	317.349	1.482	50	20	DDGD	
COc1ccc(CCCC(=O)NNC(=O)C2CCC2)c(OC)c1	270056109	VXPFQLWMCKGZMX-UHFFFAOYSA-N	320.389	1.974	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1cccc(Cl)c1C	276305739	VSMVQXCIUQOYOA-UHFFFAOYSA-N	312.757	1.279	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCOC[C@@]12CCOC2	367024121	OKKWVIAJJZLZOD-MFKMUULPSA-N	320.227	1.814	50	20	DDGD	
COC(=O)NNC(=O)c1cc(C2CC2)nn1-c1ccccc1	276962371	YSQJOYBFGZBNLN-UHFFFAOYSA-N	300.318	1.751	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(O)nc(CC(C)C)c1	274095778	NYSSGNPEEWCGKX-UHFFFAOYSA-N	317.349	1.541	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1C1CC1)c1cccc(Cl)c1	279803461	WINSXEBPIHTELK-CYBMUJFWSA-N	307.781	1.728	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCO[C@H](C(C)C)C2)o1	271599254	YEIXVDFLMQVMHK-YPMHNXCESA-N	309.366	1.736	50	20	DDGD	
CC[C@@H]1C[C@@H](CC(=O)NNc2cc(Cl)nc(N)n2)CCO1	273567133	XGZGGRLSBVRGHD-DTWKUNHWSA-N	313.789	1.751	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)[C@H]1CCCCS1	272970076	NFUPENQATDFVEY-GFCCVEGCSA-N	312.366	1.638	50	20	DDGD	
N#CC1=CCN(C(=O)CCN2C(=O)COc3ccccc32)CC1	271103022	KMZOYZPDBDGKKX-UHFFFAOYSA-N	311.341	1.484	50	20	DDGD	
Cc1cccc(N2N=C(C(=O)NN=c3cc[nH]cc3)CCC2=O)c1	376843557	GTGWBURXRYYRFO-UHFFFAOYSA-N	323.356	1.438	50	20	DDGD	
Cc1[nH]ccc1C(=O)NNc1nnc(-c2ccccn2)s1	373746715	QIBAOUICEIYZFX-UHFFFAOYSA-N	300.347	1.994	50	20	DDGD	
C[C@]12CCC(=O)N1[C@@H](C(=O)NNc1cccc(F)n1)CS2	286675233	WJDOFNILQUTIBF-OQPBUACISA-N	310.354	1.118	50	20	DDGD	
CNC(=O)NNS(=O)(=O)c1cc(C(C)C)ccc1Cl	283799874	GUOLIJLDKCLMCV-UHFFFAOYSA-N	305.787	1.586	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCCC2(C)CC2)c1	280169712	CFCFEUURGILCSH-UHFFFAOYSA-N	305.378	1.894	50	20	DDGD	
CC(=O)N(C)CC(=O)NNC(=O)Nc1ccc(C)cc1Cl	283814833	YBLOZBFIPFLVOF-UHFFFAOYSA-N	312.757	1.279	50	20	DDGD	
CNc1snc(C)c1C(=O)NNC(=O)NCc1ccco1	299236923	OCGDBHYZCBWRET-UHFFFAOYSA-N	309.351	1.230	50	20	DDGD	
CC[C@@H]1CN(C[C@@H](C)CBr)C[C@H](C)S1(=O)=O	805772224	HERYDJGAOUQLTJ-GARJFASQSA-N	312.273	1.915	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cc(C2CC2)on1	299331598	ZNLKXTDIGRPKBH-UHFFFAOYSA-N	315.329	1.564	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc3nccc(C)c3c2)n[nH]1	802936556	DUHXSIRBZWCPRV-UHFFFAOYSA-N	309.329	1.650	50	20	DDGD	
O=C(Cc1ccc2c(c1)OCO2)NNC(=O)Nc1ccccc1	801989539	WGTICABURHQSPH-UHFFFAOYSA-N	313.313	1.811	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Cc2cnc3ccccc3c2)O1	294048828	YXBZKGVZGDFPOX-NHYWBVRUSA-N	313.357	1.492	50	20	DDGD	
CC1(C)[C@H]2CC[C@@]1(C(=O)NNC(=O)Cc1ccccn1)C(=O)C2	295259378	NJSLCIZDDWRGTN-GTNSWQLSSA-N	315.373	1.167	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@@H]21	809147194	LGYULJGVKZVLPB-WSTIHDONSA-N	305.378	1.194	50	20	DDGD	
CC(C)(C)[C@@H](NC(N)=O)C(=O)NNc1ccc(C#N)c(Cl)c1	298935594	MYMBDZPDVIFEQY-NSHDSACASA-N	323.784	1.738	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)C(C)(C)c2ccccc2)c1Cl	294485466	DPKBTKFVVSLDQL-UHFFFAOYSA-N	320.780	1.812	50	20	DDGD	
CNC(=O)NCCC(=O)NNc1cc(Cl)cc(Cl)c1	294935786	PAZAXXCISCJBLS-UHFFFAOYSA-N	305.165	1.756	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)C(C2CCC2)C2CCC2)CC1	807381037	AJGRUAXPBWOOPX-UHFFFAOYSA-N	308.426	1.191	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1cc(F)ncc1F	807947649	DLHHWJYKNCFFBQ-UHFFFAOYSA-N	321.283	1.898	50	20	DDGD	
O=C(C#Cc1ccccc1)NNC(=O)Nc1ccc2c(c1)OCO2	802100901	BWWHIOIOORSVBU-UHFFFAOYSA-N	323.308	1.620	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNc1ncccc1C(F)(F)F	806901038	GIJPQIDRRCPOOF-UHFFFAOYSA-N	305.256	1.885	50	20	DDGD	
Cc1cccc(C(=O)NN=C2CCCc3c2ccc(=O)n3C)n1	814921502	OZKORMDXQZCMEI-UHFFFAOYSA-N	310.357	1.559	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1(F)F	817422044	QPVOJSIKGVIKJC-GXFFZTMASA-N	312.272	1.019	50	20	DDGD	
CN(C)c1cc(NC(=O)NNc2cccc([N+](=O)[O-])c2)ncn1	810219048	NMLXKOSVKBXQGK-UHFFFAOYSA-N	317.309	1.599	50	20	DDGD	
C[C@H]1CCCC[C@@H]1C(=O)NNc1ccccc1S(N)(=O)=O	819947338	ZYPQSMQPECJQMS-QWRGUYRKSA-N	311.407	1.603	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2cccc(C(=O)O)c2Cl)CC1	814914035	ZRZUWZCPAYJQLS-UHFFFAOYSA-N	324.768	1.329	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1nc(-c2ccccc2)no1)[C@@H](C)N	817933933	XSIULYRVORHFDF-PWSUYJOCSA-N	303.366	1.799	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)[C@@H](C)CCCCC(=O)O	814824894	OYIKRRGHNYFUCR-NSHDSACASA-N	311.382	1.382	50	20	DDGD	
CC(C)c1cccc(O[C@@H](C)C(=O)NNc2cnnn2C)c1	816769663	QURBYQMQQFRNMP-NSHDSACASA-N	303.366	1.849	50	20	DDGD	
O=C(NCC[C@]1(O)C[C@H]2CC[C@H]1C2)NNc1ccc(F)cn1	814347207	YSSZEHIDVQAVBE-PGUXBMHVSA-N	308.357	1.788	50	20	DDGD	
CCC(=O)N1CCN(C(=O)[C@H](Br)C(C)(C)C)C1	819671322	DGLBAHSCNXFGGH-JTQLQIEISA-N	305.216	1.834	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CCc1ccn(C)n1	815952357	IPNVHXYYIZQFBN-UHFFFAOYSA-N	302.334	1.283	50	20	DDGD	
C=CCC(F)(F)C(=O)NNC(=O)Cc1cn2ccccc2n1	815740252	BTAZXHCTKDVYSE-UHFFFAOYSA-N	308.288	1.236	50	20	DDGD	
CC1=CC(=NNC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1	814968217	UQDHOVLBMJHXHL-UHFFFAOYSA-N	308.363	1.552	50	20	DDGD	
CCCN1C[C@H](CNC(=O)NN(C)c2ccccc2)CC1=O	817174102	YOILYVLRNSKWDX-ZDUSSCGKSA-N	304.394	1.596	50	20	DDGD	
COc1ccccc1/C(C)=C\C(=O)NNc1nnc(C)c(O)n1	727484673	RSBBOXVTAIVVNY-HJWRWDBZSA-N	315.333	1.441	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)C(=O)NNC(=O)Cc1cccnc1	728849985	FRUDMIHDPZQHQG-SECBINFHSA-N	302.334	1.180	50	20	DDGD	
C/C=C/C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12	824567686	PLAITBIHHVGKEY-QPJJXVBHSA-N	314.345	1.315	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1ccccc1OCCC(N)=O	490755419	UZIXMMBABALCPQ-KHPPLWFESA-N	303.318	1.323	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNc1ccccc1[N+](=O)[O-]	496011567	STBNJJXKAFFCBI-CABZTGNLSA-N	324.337	1.809	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCc1cccs1	822785775	BTBHWIKMJNTZOP-NEPJUHHUSA-N	309.391	1.212	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1ccc(-c2nn[nH]n2)cc1	823280991	KUIUWTIGZBTBEB-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)NNc1ccnc(F)c1)C2	496559231	OUAYRSLYJNFQPC-WCQGTBRESA-N	320.324	1.307	50	20	DDGD	
CCOC(=O)NN=Cc1cn(CCC#N)nc1-c1ccncc1	496003683	CHINVLBHGOOGMM-UHFFFAOYSA-N	312.333	1.939	50	20	DDGD	
C[C@]1(C(=O)NNc2ccccc2OC(F)(F)F)CCNC1=O	822131472	BHYNVSFUOSXSIY-LBPRGKRZSA-N	317.267	1.555	50	20	DDGD	
O=C(NNC(=O)[C@@H](CN1CCCC1)c1ccccc1)C1CCC1	827210711	QQRISAJRFRXGMA-INIZCTEOSA-N	315.417	1.814	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)N[C@@H]1CCC(=O)N(C)C1=O	824788139	JWWKGMTZGLYHCS-GFCCVEGCSA-N	318.377	1.331	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@@H]1C[C@H]1C1CCCCC1	826866614	BKKKUPDHHABTNQ-MXAVVETBSA-N	323.437	1.958	50	20	DDGD	
Cc1cc(N2CCOCC2)ccc1NC(=O)NN(C)C1CC1	824031255	GVFRSJGMMKMOBD-UHFFFAOYSA-N	304.394	1.962	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C(C)[C@@H](C)OC	497213185	HYYWDAOSDBXISW-NEPJUHHUSA-N	311.382	1.430	50	20	DDGD	
CC(C)CCOC1CCN(C(=O)c2ccc(B(O)O)cc2)CC1	584935559	PBMUOMMIHZXMLM-UHFFFAOYSA-N	319.210	1.034	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NC[C@@H]1CCCS1(=O)=O	491052245	VKWYSYURNNUPDM-BCNIOPEESA-N	322.361	1.426	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)Cc1ccc(Br)cc1	821216970	BUDLUFABAJUURR-VIFPVBQESA-N	301.184	1.335	50	20	DDGD	
O=C(Cc1c[nH]c2ccc(F)cc12)NNC(=O)c1ccc[nH]1	734418804	OSMLYOHHUDAYFH-UHFFFAOYSA-N	300.293	1.639	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)[C@@]1(Cl)C[C@H]2CC[C@H]1O2	909546224	WMNWXESGXGFRHB-JWKOBGCHSA-N	303.696	1.732	50	20	DDGD	
C[C@H](CC(=O)NNc1cccc(-c2nn[nH]n2)c1)n1cccc1	824385296	PWCQYADAAZIZGB-LLVKDONJSA-N	311.349	1.763	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1CCc2ccc(O)cc21	822672784	VQNJKCKBJVEDMJ-MRCXROJRSA-N	319.361	1.135	50	20	DDGD	
O=C(Cc1ccccc1F)NN=Cc1ccc(-c2nn[nH]n2)cc1	737975126	UFZLGQKDXSMGIG-UHFFFAOYSA-N	324.319	1.699	50	20	DDGD	
O=C(CCCn1ccnc1)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	739244438	QPQQJKLOJKOXIN-UHFFFAOYSA-N	319.273	1.875	50	20	DDGD	
O=C(Nc1cc2c(cn1)CCCC2)c1ccc(B(O)O)c(F)c1	584993114	WAVQBJDLJAXDRL-UHFFFAOYSA-N	314.125	1.032	50	20	DDGD	
COc1ccc(-c2nc(CN3CC[C@H](B(O)O)C3)cs2)cc1	585077685	XJVWYFXZUWVWMN-LBPRGKRZSA-N	318.207	1.867	50	20	DDGD	
CCOC(=O)NN=Cc1ccc(C=NNC(=O)OCC)cc1	490616714	PSOUUAAWGLSDMM-UHFFFAOYSA-N	306.322	1.847	50	20	DDGD	
C[C@H]1[C@H](C(=O)NN=c2cc[nH]cc2)CCN1C(=O)OC(C)(C)C	492508416	KMAVFVDUMZQJEY-WCQYABFASA-N	320.393	1.592	50	20	DDGD	
CCC[C@H](C)CC(=O)NNC(=O)CNC(=O)OC(C)(C)C	494458161	YPPYJYBNNSZHST-JTQLQIEISA-N	301.387	1.485	50	20	DDGD	
CCn1cc(C=NNC(=O)[C@H](C)CN2C[C@H](C)O[C@H](C)C2)cn1	732528028	CUWARFIPICTTFF-MCIONIFRSA-N	321.425	1.098	50	20	DDGD	
Cc1nn(C)c(Cl)c1COC(=O)/C(C#N)=C/c1cnn(C)c1	837968913	HQFBUDTYMAKJMP-NYYWCZLTSA-N	319.752	1.766	50	20	DDGD	
COC(=O)N(C)N=C(C)c1ccc(S(C)(=O)=O)c(OC)c1	495747350	PVLIYSQYHWURBC-UHFFFAOYSA-N	314.363	1.521	50	20	DDGD	
C=C[C@@H]1OCCC[C@H]1NC(=O)NNC(=O)c1ccc(CC)cc1	836615775	SNGQSTCDOAERPU-CABCVRRESA-N	317.389	1.927	50	20	DDGD	
COc1ccc(C=NNC(=O)c2ccc(N)cc2)cc1[N+](=O)[O-]	730144833	RSSTYTYCILXZHR-UHFFFAOYSA-N	314.301	1.950	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1[C@@H]2CCC(=O)[C@@H]12	905108857	XNVCOSZYHBICIR-CRYFMFQUSA-N	316.401	1.575	50	20	DDGD	
O=C(O)COc1cccc(CNC(=O)NNc2ccccc2)c1	739835054	QKRIAOUBCUDBAE-UHFFFAOYSA-N	315.329	1.976	50	20	DDGD	
CCCCCNC(=O)[C@H](C)OC(=O)/C(C#N)=C/c1cnn(C)c1	837968671	FTXUOCCVPVIGEZ-ACLQVGRQSA-N	318.377	1.565	50	20	DDGD	
Cn1cc(/C=C\C(=O)NNC(=O)C(C)(C)c2ccccc2)cn1	731173080	IQINOAJKVCXQMF-KTKRTIGZSA-N	312.373	1.559	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H](C)[C@@H](OC)C1CC1	836291841	JWPVUOBZHUMYPG-IINYFYTJSA-N	321.377	1.453	50	20	DDGD	
COc1ccc([C@@H](C)CCNCc2ccc(B(O)O)cc2)cc1	585028627	MFVPRXPVDASHGW-AWEZNQCLSA-N	313.206	1.658	50	20	DDGD	
CSc1cc(C)ccc1NC(=O)C(=O)NNC(=O)C(C)C	839512627	QIWNZGQAPGNOOO-UHFFFAOYSA-N	309.391	1.459	50	20	DDGD	
O=C(NC1CCC(c2ccccc2)CC1)c1cccc(B(O)O)c1	584929017	YLBRTVUYIQLCBE-UHFFFAOYSA-N	323.201	1.823	50	20	DDGD	
COC(=O)c1coc(CNC(=O)[C@]2(C)C[C@@H]2Br)n1	911896137	BKBILZVUCXHYAT-WRWORJQWSA-N	317.139	1.251	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1Cl	730577154	DHVJHSFHRFBQLD-JTQLQIEISA-N	314.794	1.615	50	20	DDGD	
CCC/C=C/C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	736439516	QSXWTDCPWVQFAJ-VOTSOKGWSA-N	305.342	1.778	50	20	DDGD	
CSCCNC(=O)NNC(=O)Nc1cc(F)cc(F)c1	836204020	WSEPSQLRKROGCQ-UHFFFAOYSA-N	304.322	1.664	50	20	DDGD	
C=CCOc1ccc(C=NNC(=O)c2cnccn2)cc1OC	916664058	ZIJDNUNVYUYKNO-UHFFFAOYSA-N	312.329	1.814	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CN(C)C(=O)C1CC1)c1ccccc1	733154323	BVTGVDOVBNWLAZ-AWEZNQCLSA-N	317.389	1.196	50	20	DDGD	
CO[C@H]1C[C@@H](NC(=O)NNc2nc(C)cc(C)n2)C12CCC2	838768453	QUOAVMFRWCZFEB-NEPJUHHUSA-N	305.382	1.677	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)Cn1cc(C2CC2)cn1	830331369	DHXCMTHCHBGNEP-UHFFFAOYSA-N	312.373	1.459	50	20	DDGD	
C[C@H](O)CC(C)(C)CNC(=O)NNc1cccc(C(=O)O)c1	833527667	LSDCQWDHPWPNCK-JTQLQIEISA-N	309.366	1.808	50	20	DDGD	
O=C(NCCN1CCSCC1)NNc1ccc(F)c(F)c1	918216641	NRNBVRBNTHIPAK-UHFFFAOYSA-N	316.377	1.640	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN(C)C[C@@H](C)O	910159662	ALGXRUUOJBHHCV-TUAOUCFPSA-N	317.430	1.270	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)CCc1ccccc1)[C@H]1CCOC1	743654904	ROJVSKDKGSHOCW-OCCSQVGLSA-N	305.378	1.375	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cccc(OC)c1OC	748260766	XUXMMVPJSIMDMV-LLVKDONJSA-N	310.350	1.205	50	20	DDGD	
CCN(CC)C(=O)CNC(=O)NNc1ccc(Cl)cc1F	914395340	GICUOAPNJPSDAF-UHFFFAOYSA-N	316.764	1.974	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1nc2ccccc2s1	843972296	AJYCEAQYVNPTOF-BDAKNGLRSA-N	305.359	1.482	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](CCCN)c2ccccc2)nn1	841995419	HXKYBOZNSBUBKF-AWEZNQCLSA-N	314.393	1.891	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC[C@H]1CCCCN1)c1ccccc1	841919469	AKEGSULXSUBBEC-CABCVRRESA-N	318.421	1.653	50	20	DDGD	
N#CCCCCNC(=O)NNc1ncc(Br)cn1	847309356	KKXKIAOBPFNVSY-UHFFFAOYSA-N	313.159	1.559	50	20	DDGD	
COC/C(C)=C/C(=O)NNC(=O)CCc1ccc(OC)cc1	844349394	JJKVGIAMMTXRFL-ZRDIBKRKSA-N	306.362	1.368	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C(C)(C)C)C(=O)OCc1ccccc1	848645606	SGDNDFWQTCPQFU-LLVKDONJSA-N	321.377	1.495	50	20	DDGD	
CC[C@H](C(=O)NNC(=S)NC[C@H]1CCOC1)c1ccccc1	749700388	BKKCMSQFGAXXQM-OCCSQVGLSA-N	321.446	1.712	50	20	DDGD	
CN(C)C[C@@](C)(C=NNC(=O)c1ncccn1)c1ccccc1	841665685	POLDQNLCTLOKOM-QGZVFWFLSA-N	311.389	1.712	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)c1c(C)noc1C	747749885	VBQHHTMTQHLWLC-UHFFFAOYSA-N	320.374	1.931	50	20	DDGD	
CCn1ccc(CC(=O)NNc2cccc([N+](=O)[O-])c2C)n1	845857284	XBFYGRAXOHCZGQ-UHFFFAOYSA-N	303.322	1.805	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)[C@H]2CCS(=O)(=O)C2)c(C)c1	841616587	PXPWZYUYGFGNDQ-LBPRGKRZSA-N	324.402	1.279	50	20	DDGD	
CC(C)c1nn(-c2ccccc2)cc1C(=O)NN(C)C[C@H](C)O	910145438	BGIODBPYDLPEMQ-ZDUSSCGKSA-N	316.405	1.953	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccnc(N(C)C)c2)n1	746622703	DZJCLVOZYLZYFM-UHFFFAOYSA-N	302.338	1.012	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1c(F)cccc1Cl	748254318	YOJWJHJTALOCLW-SECBINFHSA-N	302.733	1.981	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@@H](C)C(=O)NCCc1ccccc1	840725793	JPQUHNQKENWPMH-FRRXJZEGSA-N	315.373	1.294	50	20	DDGD	
CCN(CC(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1ccccc1	843651709	OPRUMXNPFZNKAK-JSGCOSHPSA-N	305.378	1.085	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)[C@@H]1C[C@H]1c1cccc(F)c1	914383907	HEWRERVAHZLBEN-NWDGAFQWSA-N	315.370	1.177	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc(Cl)c2)CCN1C	745856380	CHLXLTNEWIKTIY-ZWNOBZJWSA-N	324.812	1.767	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@@H]1CNCCC1(F)F	843378993	MXJOGACZYJFPCO-ZETCQYMHSA-N	313.333	1.379	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCn1ccc2ccccc21	843978182	WJSFCWRZFTZECC-TZMCWYRMSA-N	315.373	1.604	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNc2ncc(Br)cn2)O1	848321115	JBDDRXHFMBAQPY-IUCAKERBSA-N	315.171	1.640	50	20	DDGD	
O=C(Cc1ccc2c(c1)OC(F)(F)O2)NNC(=O)NC1CC1	845296270	JVCKMARMOFJGCH-UHFFFAOYSA-N	313.260	1.043	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc(C(C)(C)C)s1	843648942	SHNIEIKKOBPBMT-RKDXNWHRSA-N	311.407	1.627	50	20	DDGD	
Cc1ccc(CCCCC(=O)NNC(=O)c2ncccn2)cc1	841355074	XJDPWWLVZLJOIS-UHFFFAOYSA-N	312.373	1.959	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cn1	848353150	YGTWBXQWJQKNNN-BRAFPAACSA-N	313.405	1.460	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCCNC1CC1)c1ccccc1	841928813	BWCKLUPYYXWPAG-AWEZNQCLSA-N	304.394	1.263	50	20	DDGD	
O=C(CSCc1ccc(F)cc1)NNC(=O)Cc1cc[nH]n1	755285385	RMNQURAQLOEIIM-UHFFFAOYSA-N	322.365	1.172	50	20	DDGD	
Cc1nn(C)cc1C=NNC(=O)[C@H](C)Oc1ccc(F)cc1	755563379	RXTDKUROBWJRPN-NSHDSACASA-N	304.325	1.785	50	20	DDGD	
O=C(NC[C@@H]1CCC[C@H]1C1CC1)NNC(=O)c1cccc(F)n1	852380118	JITMXXMZIZSZEG-RYUDHWBXSA-N	320.368	1.991	50	20	DDGD	
CC(C)(C)[C@H](NC(N)=O)C(=O)NC[C@]1(C)C[C@@H]1Br	857387908	OEWZKQRFULJIQA-SXMVTHIZSA-N	320.231	1.359	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(C)nc1C	853390691	IQJFGKHYZPLLTD-ZBFHGGJFSA-N	316.405	1.402	50	20	DDGD	
COC[C@H](C)S(=O)(=O)NC[C@@]1(C)C[C@H]1Br	856756636	QYOSFCKTQXRUDI-DJLDLDEBSA-N	300.218	1.114	50	20	DDGD	
CCc1nc2c(s1)C(=NNC(=O)C(=O)NC(C)C)CCC2	756823306	JVTJEDYWBKMXBD-UHFFFAOYSA-N	308.407	1.387	50	20	DDGD	
CC[C@@H](C(=O)NNc1cc(C)ncn1)N(C)C(=O)OC(C)(C)C	857127131	KKXGSQVKSHVURY-NSHDSACASA-N	323.397	1.874	50	20	DDGD	
CC1CCN(C[C@H](C)C(=O)NN=C2CN(C3CC3)C[C@H]2C)CC1	755886096	KBOWVHNRLDVMBH-CABCVRRESA-N	320.481	1.941	50	20	DDGD	
COc1cccc([C@@H](CNC(=O)NNC(=O)CC(C)C)OC)c1	858653361	VHDQGPKFWRGZAG-CQSZACIVSA-N	323.393	1.759	50	20	DDGD	
C[C@@H]1COC[C@@H]1NC(=O)NNC(=O)c1cccc2cccnc12	926001918	VQMCZGJOOLAPGN-MFKMUULPSA-N	314.345	1.214	50	20	DDGD	
Cc1c(C=NNC(=O)C(=O)NC(C)C)c2ccccc2n1C	853283434	PLNWSZONZPUGAZ-UHFFFAOYSA-N	300.362	1.461	50	20	DDGD	
O=C(NN=Cc1cccc(Cl)c1O)C(=O)Nc1ccccn1	758390291	QLCZTLBRYZKTDX-UHFFFAOYSA-N	318.720	1.529	50	20	DDGD	
CNC[C@@H](C)NC(=O)NNc1ccc(Br)c(F)c1	851682119	SEEDSLADXKRMBT-SSDOTTSWSA-N	319.178	1.822	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C=NNC(=O)[C@@H]1CCOC1	853339108	WYIJTDZBFYSAME-YNEHKIRRSA-N	306.366	1.026	50	20	DDGD	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NNC(=O)NC1CC1	920823232	GZYBUQKXHXPTPG-MRVWCRGKSA-N	311.426	1.957	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1C[C@@H]2CCCC[C@@H]21	852220225	KFUCJCOSHGPGCK-HOTGVXAUSA-N	315.417	1.559	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Nc1ccc(N)c(C)c1	850772276	SGZJSICHEPMBED-UHFFFAOYSA-N	324.381	1.519	50	20	DDGD	
O=C(CCOc1ccccc1F)NNC(=O)OCC(F)(F)F	856026749	KMYHEMRRVNYANA-UHFFFAOYSA-N	324.230	1.914	50	20	DDGD	
NC(=O)Nc1ccc(C(=O)NN=c2cc[nH]cc2Cl)cc1	757419623	YXRCIGHUVSQWPP-UHFFFAOYSA-N	305.725	1.404	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)OCC(F)(F)F)c1OC	856026494	AOOZTRVCNLCWBW-UHFFFAOYSA-N	322.239	1.637	50	20	DDGD	
O=C(NNc1ncccc1F)NC1CCN([C@H]2CCOC2)CC1	852637777	GLJRMKFZDOYNIP-LBPRGKRZSA-N	323.372	1.100	50	20	DDGD	
Cn1ncc2c(NC[C@]3(C)C[C@@H]3Br)nc(N)nc21	856787712	QLGQLMBYGWWHHA-CPCISQLKSA-N	311.187	1.531	50	20	DDGD	
C[C@]1(CN2C(=O)[C@H]3CCCCN3C2=O)C[C@@H]1Br	857226901	BMULFTHUASKPBP-VDDIYKPWSA-N	301.184	1.977	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2cc(C(F)(F)F)ccn2)c[nH]1	857513199	AYJZCJUJYJGXOQ-UHFFFAOYSA-N	312.251	1.854	50	20	DDGD	
C[C@@]1(CNC(=O)C2(C(=O)NC3CC3)CC2)C[C@H]1Br	857399853	GMRDDRMGAKGRDZ-SKDRFNHKSA-N	315.211	1.335	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)[C@@H]2CCS(=O)(=O)C2)c2ccccc21	752722796	DXRSCHCEJMXHFG-VXGBXAGGSA-N	320.414	1.839	50	20	DDGD	
Cc1cc(=NC(=O)NNC(=O)c2ccc3c(c2)OCO3)cc[nH]1	757808438	XTBLYPGYAKZJLC-UHFFFAOYSA-N	314.301	1.007	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)C(C)C)c(C)c1[N+](=O)[O-]	857221734	NMWMMQOHLBWKBY-UHFFFAOYSA-N	315.351	1.177	50	20	DDGD	
Cc1ncc(CO)c(C=NNC(=O)OCC(F)(F)F)c1O	853432373	WHPLSYLNWXIQJW-UHFFFAOYSA-N	307.228	1.210	50	20	DDGD	
O=C(NNC(=O)C1(Cc2ccccc2F)CC1)c1cc[nH]n1	855356730	RDUVBCFORJRFRN-UHFFFAOYSA-N	302.309	1.333	50	20	DDGD	
CN(C)C1(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)CC1	854206101	FHESZHATRKZADQ-UHFFFAOYSA-N	303.406	1.839	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Cc1c[nH]c2ncccc12	756905445	XJWACBHJHMQFJG-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNc2nc(-c3ccncc3)no2)[C@H]1C	859073398	YHNFKWOPZXTXBM-UXCLJVHYSA-N	317.349	1.634	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)c2cccnc2)C[C@@H]1Br	856754611	KXPYUDXHOTUIRQ-UWVGGRQHSA-N	305.197	1.533	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)c2cnccn2)cnn1CC(C)C	757802642	YQUNPJSOCMYWFB-UHFFFAOYSA-N	317.353	1.104	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNC(=S)NCC2CCC2)n1	869217015	KVTVKNVRMSRDLI-SNVBAGLBSA-N	309.439	1.123	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cc(C2CC2)nn1C	932429716	QIYQAEKYVGKXPT-UHFFFAOYSA-N	314.345	1.381	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(OC(F)F)cc1)[C@H]1CCC(=O)N1	860325400	HFVJJLPCFXYCII-LDYMZIIASA-N	313.304	1.646	50	20	DDGD	
CC(C)N1CC[C@@H](NC(=O)[C@H](Br)C(C)(C)C)C1=O	768149067	VBDJLCCBBHDIGJ-ZJUUUORDSA-N	319.243	1.922	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H](O)c1cccnc1	764945149	KNMRUTOXKYOBMA-ZDUSSCGKSA-N	304.258	1.637	50	20	DDGD	
CN(C)C(=O)CCCC(=O)N(C)NC(=O)OCc1ccccc1	862287919	ZJLODKWVCQNCBA-UHFFFAOYSA-N	321.377	1.545	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCc1cc2n(n1)CCCO2	867475413	SGQIKYRAZKOBMP-UHFFFAOYSA-N	321.830	1.350	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)Cc1c(C)nc2sccn12	761913931	QCUNBWDMOHABLM-SNVBAGLBSA-N	323.422	1.082	50	20	DDGD	
Cc1cccc(NNC(=O)C(=O)Nc2nc3c(s2)CCC3)n1	861959573	FXEFQFVILZCCLA-UHFFFAOYSA-N	317.374	1.417	50	20	DDGD	
CON(C)C(=O)[C@H](C)NC(=O)[C@H](Br)C(C)(C)C	863629417	OQCCGLVUNRNVMP-YUMQZZPRSA-N	309.204	1.321	50	20	DDGD	
CC(=O)NCCCNC(=O)NNc1nc2c(C)cccc2s1	868010104	OYIDTTILUZMGLK-UHFFFAOYSA-N	321.406	1.757	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1cccc(OC(C)(C)C)n1	767263178	STYLVCZVOMPFGZ-UHFFFAOYSA-N	308.382	1.745	50	20	DDGD	
CCOC(=O)c1ncc(/C=C(\C#N)C(=O)NCC(C)C)s1	865216425	FXAFIOLHBZTBKJ-BJMVGYQFSA-N	307.375	1.999	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)C)cc[nH]1	862514958	CJPFPJFELCFCEK-ZDUSSCGKSA-N	307.394	1.869	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccn(-c2ccc(F)cc2F)n1	766640565	SAGPHFVUEBCABE-UHFFFAOYSA-N	309.276	1.114	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@]23CCC[C@@H]2C3)c(OC)c1	932128556	BZPBGRIAIQCQBR-QLJPJBMISA-N	304.346	1.655	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cn[nH]c1)c1ccc(OC)cc1	862470748	ILDXYPGGZFHGLZ-CYBMUJFWSA-N	302.334	1.373	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(Oc2nccc(C)n2)cc1	765207490	ISLQXKQRTLKAEO-UHFFFAOYSA-N	301.306	1.750	50	20	DDGD	
CC(C)(C)n1cc(C#N)cc1NC(=O)NNC(=O)c1cn[nH]c1	860989202	CUVVXVRQMAMREY-UHFFFAOYSA-N	315.337	1.304	50	20	DDGD	
COc1cc(C(=O)NNc2nccnc2OC)ccc1[N+](=O)[O-]	764463396	HOISEIAGCMGWIB-UHFFFAOYSA-N	319.277	1.159	50	20	DDGD	
COCC(=O)NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1	761824114	KHAYACOPOWHUSD-UHFFFAOYSA-N	303.274	1.951	50	20	DDGD	
C[C@@H]1CN(C(=O)OC(C)(C)C)CC1=NNC(=O)c1cnn(C)c1	863094542	VJEPTWIGTRFAOW-SNVBAGLBSA-N	321.381	1.393	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@H]2COCO2)c1C	861966427	WBQRGBBKQYQJJS-NHKNYXOTSA-N	317.389	1.911	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCCc2ccncc2)c1	762674789	QXDRLCSNEAGUOG-UHFFFAOYSA-N	309.329	1.140	50	20	DDGD	
C[C@H](CCc1ccc(F)cc1)C(=O)NNC(=O)c1cn[nH]c1	869384515	AJFXRHKZXYDJHE-SNVBAGLBSA-N	304.325	1.579	50	20	DDGD	
COCCC(Cc1cccc(F)c1)=NNC(=O)[C@@H]1CCC(=O)N1	863146152	TXGVMRWEAPAAGQ-AWEZNQCLSA-N	321.352	1.156	50	20	DDGD	
O=C(COCC1CC1)NNC(=O)c1cncn1-c1ccccc1	1115852812	OTXNFAPOVPUQOO-UHFFFAOYSA-N	314.345	1.060	50	20	DDGD	
COc1ccnc(NNC(=O)NC2CCC(F)(F)CC2)n1	761775222	DRCXPMLHXGKHNM-UHFFFAOYSA-N	301.297	1.689	50	20	DDGD	
COCCOCC(=O)NN=Cc1csc(C(F)(F)F)c1	872400508	SNWQUMXLLKBIMS-UHFFFAOYSA-N	310.297	1.880	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)N2CCOCC2)[C@@H](C)C1	761261737	POXORCKTQBPUPS-RYUDHWBXSA-N	311.382	1.384	50	20	DDGD	
O=C(NNC(=O)C1(O)CCCC1)c1nc2ccccc2s1	874913805	UASCZRUDQIMMNA-UHFFFAOYSA-N	305.359	1.362	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=O)c2nc3ccccc3s2)CC1	874914495	YQURQXAHJALZGE-UHFFFAOYSA-N	317.370	1.817	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1ccc2nnc(O)n2c1	771697757	SHIVXPZGHQTRSB-UHFFFAOYSA-N	301.281	1.639	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)Cc2c[nH]c3ccccc23)CCO1	776336141	GAVXXOIEVQLMIL-NWDGAFQWSA-N	315.373	1.673	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)COc1ccc(CC)cc1	771872767	CJPICTOKXQRQMV-NSHDSACASA-N	322.361	1.117	50	20	DDGD	
Cc1[nH]ccc(=NC(=O)NNC(=O)CC(F)(F)F)c1Cl	771764805	DSTCIIIYNMEADP-UHFFFAOYSA-N	310.663	1.570	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)Nc2cnc(C3CC3)nc2)cc1	773692977	POMYBBUUUCMFBV-UHFFFAOYSA-N	322.328	1.307	50	20	DDGD	
COc1cccc([C@@H](O)C(=O)NNc2nccnc2C(C)C)c1	772889296	MGHTYKMRMCMGPA-CQSZACIVSA-N	316.361	1.785	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C(\C)c1ccc(F)cc1	772048444	NMRADXFSHLRLFY-PBQZMEPESA-N	322.336	1.718	50	20	DDGD	
CCn1[nH]nnc1=NC(=O)NNc1c(C)cccc1C(C)C	888325762	VKABFAUXXNJMBY-UHFFFAOYSA-N	303.370	1.695	50	20	DDGD	
C[C@@H](CBr)COC(=O)[C@@H](C)NC(=O)c1ccoc1	770349897	IIRVFBLVDAIGKA-DTWKUNHWSA-N	318.167	1.972	50	20	DDGD	
CCc1nn(C)cc1NC(=O)C(=O)NNc1cccc(Cl)c1	773736661	QOCJQENVPOUZFE-UHFFFAOYSA-N	321.768	1.718	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cnc2c(cnn2C(C)C)c1	887140604	LRXGUYOQDWPWNQ-UHFFFAOYSA-N	313.361	1.577	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1scnc1C(F)(F)F	887149297	QQDDCNXIHUISIG-UHFFFAOYSA-N	305.281	1.726	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@@H]1CO[C@H](C)C1	784018387	WPHDMTQSWWPTFE-NEPJUHHUSA-N	322.361	1.037	50	20	DDGD	
C[C@@H](C(=O)NNc1ccccc1[N+](=O)[O-])[C@@H](C)S(C)(=O)=O	788302269	XZGNOOSQKZSSHA-RKDXNWHRSA-N	315.351	1.107	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H](C)Cc1ccc(OC)c(OC)c1	781309846	KIYSYMFOYJSESD-SNVBAGLBSA-N	309.366	1.233	50	20	DDGD	
Cc1c(F)cccc1NC(=O)C(=O)NNc1ncc(F)cn1	784950516	SNFNSLUNBYGBRC-UHFFFAOYSA-N	307.260	1.145	50	20	DDGD	
Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/C1CC1	786667888	BONLFAOQVYLWMX-ZTFCMROMSA-N	316.361	1.767	50	20	DDGD	
CC(=NNC(=O)[C@H]1COc2ccccc2O1)c1coc(C)n1	788956003	YXYVDKXMHRBZCB-CQSZACIVSA-N	301.302	1.663	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)c2cccnn2)CCC1	882057290	SOOOSAWIWAZLJG-UHFFFAOYSA-N	310.357	1.668	50	20	DDGD	
O=C(NNc1ncncc1Cl)N[C@@H]1CCc2c[nH]nc2C1	781002577	HDIJSPGUFKIHAM-MRVPVSSYSA-N	307.745	1.037	50	20	DDGD	
Cc1ccc2oc(SCC(=O)NNC(=O)C3CC3)nc2n1	783910707	KKRNORQKXUKHTQ-UHFFFAOYSA-N	306.347	1.181	50	20	DDGD	
COc1ccc(NNC(=O)c2c[nH]cc(C)c2=O)c([N+](=O)[O-])c1	781430913	IPHFHBVZRNCHNX-UHFFFAOYSA-N	318.289	1.357	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1	785690608	ITKVPSGYOOPENY-NSHDSACASA-N	311.288	1.261	50	20	DDGD	
O=C(C/C=C/Cc1ccccc1)NNC(=O)C1CCOCC1	894101078	JDUVBARUWMPZNY-SNAWJCMRSA-N	302.374	1.749	50	20	DDGD	
CCSc1ccc(CNCc2cccc(B(O)O)c2)cc1	895526268	KLGWEXLBWWTKHV-UHFFFAOYSA-N	301.220	1.768	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(CC)cc1O	787867691	QBOQEZBDISIDLZ-VIFPVBQESA-N	308.334	1.057	50	20	DDGD	
CON(Cc1ccccc1)[C@H](C)C(=O)NNC(=O)CC(C)C	780342101	UMLQGCAEJLDVOM-CYBMUJFWSA-N	307.394	1.632	50	20	DDGD	
Cc1ccc(F)cc1C(=O)C(=O)NNC(=O)Cc1cccnc1	781647411	ZWEYLIRUSNVTIJ-UHFFFAOYSA-N	315.304	1.102	50	20	DDGD	
CN(C)Cc1cccc(C(=O)NNC(=S)NC(C)(C)C)c1	899995519	SRGOSWSVIKMKHI-UHFFFAOYSA-N	308.451	1.656	50	20	DDGD	
N#Cc1ccc(C[C@H](C#N)C(=O)NNC(=O)CC(F)(F)F)cc1	792633437	VAGYJUMWCBRQFI-LLVKDONJSA-N	324.262	1.340	50	20	DDGD	
O=C(NN=Cc1c(F)ccc(O)c1F)c1ccc(O)c(O)c1	794552047	XHOXSZJMGZQMPK-UHFFFAOYSA-N	308.240	1.846	50	20	DDGD	
CC(=NNC(=O)COc1cccc(C)c1)c1ccc(O)nn1	790143416	ILOQIYLTQMMPHM-UHFFFAOYSA-N	300.318	1.410	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1C#N)c1cc(C)n(C)n1	799870192	WOYGDLKMQGYWNY-UHFFFAOYSA-N	311.345	1.519	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)Cc2ccncc2)[C@@H](n2cncn2)C1	794515216	YZPVYQVWZMCCOM-DOMZBBRYSA-N	312.377	1.749	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1ccc[nH]1)c1cc(F)cc(C#N)c1	794814156	DZMKXENINXQMKP-UHFFFAOYSA-N	314.320	1.764	50	20	DDGD	
CC(C)Oc1cccc(C(=O)NNC(=O)NCC(F)(F)F)n1	798313365	GOZMHOZGWRLCJN-UHFFFAOYSA-N	320.271	1.375	50	20	DDGD	
CN(C)C(=O)c1cccc(C(=O)NNc2nc3ccccn3n2)c1	791241765	ALSGOACQEDHNNI-UHFFFAOYSA-N	324.344	1.188	50	20	DDGD	
CCCc1nc(C)c(C(=O)O[C@H](C)C(=O)NNC(=O)CC)o1	796562586	CMYZQTZDNGKELF-SECBINFHSA-N	311.338	1.038	50	20	DDGD	
Cc1nnc(CNC(=O)NNc2cc(F)c(F)cc2F)o1	1318585177	MHUOYRMMEXVKOB-UHFFFAOYSA-N	301.228	1.622	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@H]2CCSC2)cc1	1321437926	QYIMAVLMXDRUGM-SNVBAGLBSA-N	309.391	1.392	50	20	DDGD	
O=C(CCc1ncc[nH]1)NNc1cncc(Br)c1	1326824465	VKJITMLTRISMDK-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
BrC[C@@H](CN1CCN(c2ncc[nH]2)CC1)C1CC1	1328767551	YDRLZNODGURKAW-LBPRGKRZSA-N	313.243	1.953	50	20	DDGD	
COc1c(C(=O)NNC(=O)C2CCC2)cnn1-c1ccccc1	1320652547	BSQUUENHYSNDPZ-UHFFFAOYSA-N	314.345	1.442	50	20	DDGD	
C=C(C)CCC(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1	1336327474	XLRXPLHBTAYKDG-UHFFFAOYSA-N	323.418	1.927	50	20	DDGD	
N#Cc1cccc(NC(=O)NNc2nncc(N)c2Cl)c1	1253087110	VGLWWSJTNYESRL-UHFFFAOYSA-N	303.713	1.732	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H](CN)CC(C)C	1340155993	FQIXFPZRVLOFJN-LBPRGKRZSA-N	300.834	1.842	50	20	DDGD	
C[C@]1(COC(=O)c2ccc(C(N)=O)nc2)C[C@@H]1Br	1344036166	LQNAWTDYTHJQQQ-JOYOIKCWSA-N	313.151	1.511	50	20	DDGD	
Cc1cccc2sc(NNC(=O)CO[C@H]3CCOC3)nc12	1352253039	SWKLPNSULQRJHG-JTQLQIEISA-N	307.375	1.853	50	20	DDGD	
O=C(O)c1cc(NNC(=O)c2cnn3c2CCCC3)ccc1F	1602287422	BTZFSQUFKFAMQC-UHFFFAOYSA-N	318.308	1.814	50	20	DDGD	
CN(N=Cc1nc(-c2nn[nH]n2)cs1)C(=O)OC(C)(C)C	1604826569	BBVYAMVDLUSMBS-UHFFFAOYSA-N	309.355	1.524	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@H]1C[C@H]2C[C@H](C(=O)O)C[C@@H]12	1601555583	JIWIOPDIQBMWOT-XQHKEYJVSA-N	317.345	1.130	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)c(F)c1)c1ccc([N+](=O)[O-])[nH]1	1601557626	YRGJNRTVDFPNLM-UHFFFAOYSA-N	308.225	1.517	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@H](CC(=O)O)C2CCCC2)cn1	1608110728	UYDGOPUEUUJXHI-YGLIYXGISA-N	316.361	1.477	50	20	DDGD	
O=C(NCCc1ccco1)NNc1ccc(F)c(C(=O)O)c1	1601513251	LULSPKWRRNMJIF-UHFFFAOYSA-N	307.281	1.986	50	20	DDGD	
O=C(NC[C@H]1C[C@H]1C(=O)O)NNc1cc(F)c(F)cc1F	1601527847	MYQKLEKDAPJUSC-PHDIDXHHSA-N	303.240	1.451	50	20	DDGD	
N#CC[C@H](C(=O)NNc1ncccc1C(=O)O)c1ccccc1	1605581650	FZEHPFYOGLBOBI-LBPRGKRZSA-N	310.313	1.920	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cccc(C(=O)O)n1	1607708986	DXBQDHBHJXZHLE-UHFFFAOYSA-N	316.273	1.753	50	20	DDGD	
O=C(NCC[C@@H]1CCOC1)NNc1ccc(F)c(C(=O)O)c1	1601491657	IKHPFCUGBTWGND-SECBINFHSA-N	311.313	1.577	50	20	DDGD	
Cc1csc(NC(=O)C(=O)NNc2cccc(C(=O)O)c2)n1	1600662473	YDGNPVCCYBJOHZ-UHFFFAOYSA-N	320.330	1.232	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2ccc(C(=O)O)s2)c1	1607924171	RDLZQXKDWGXAKS-UHFFFAOYSA-N	310.356	1.891	50	20	DDGD	
C[C@@H](OCc1ccccc1)C(=NNC(=O)C(=O)O)C(F)(F)F	1609803183	YPDZZSJICUYKHG-MRVPVSSYSA-N	318.251	1.711	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccncc2)cc1C(=O)O	1600341109	NHAIXPOYVXONPI-UHFFFAOYSA-N	313.313	1.092	50	20	DDGD	
Cc1ccc(NNC(=O)c2cc3n(n2)CCC3)cc1C(=O)O	1607809138	GXHGWQGUWVQMSK-UHFFFAOYSA-N	300.318	1.593	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2sccc2C(=O)O)nc1	1600463054	MMWIOACHACFXMT-UHFFFAOYSA-N	320.330	1.232	50	20	DDGD	
CCOc1ccccc1C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549315393	MXQNKGFHMDLIFM-HOCLYGCPSA-N	317.389	1.399	50	20	DDGD	
CC(C)c1nc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cs1	1549319389	UUPYCYVEAIYMPZ-OLZOCXBDSA-N	322.434	1.580	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H](N)C(C)(C)C	1573589894	KLCHTQXUOQLQLQ-JOYOIKCWSA-N	311.357	1.114	50	20	DDGD	
Cc1cc(F)c2c(c1)N[C@@H](C(=O)NNC(=O)[C@@H]1CCCS1)C2	1579610731	MDBXQVDSUGCWOM-OLZOCXBDSA-N	323.393	1.514	50	20	DDGD	
CO[C@H]1CN[C@](C)(C(=O)NNc2cccc(F)c2Cl)C1	1573960123	FCNDDCGXCXTWEK-OQPBUACISA-N	301.749	1.689	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)[C@]1(F)CCNC1	1579552763	KOSOQIRDNFWFAO-LBPRGKRZSA-N	316.174	1.902	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCl)c1ccc(-c2nn[nH]n2)cc1	1589977366	WCDFMMWVNKPZTG-SSDOTTSWSA-N	301.759	1.043	50	20	DDGD	
CCCN(NC(=O)[C@@]1(C(=O)O)CCCO1)C(=O)OC(C)(C)C	1589673568	LLSPGCGYWGTCNG-CQSZACIVSA-N	316.354	1.299	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NN[C@@H](C(=O)O)C3CC3)cc2C1	1594451298	ZPZVLRSKMHLJBQ-AMIZOPFISA-N	308.403	1.971	50	20	DDGD	
CN1CC[C@@H](CC(=O)NNc2ccc(C(=O)O)c(Cl)c2)C1	1598579574	KTQILDXVKJVGNP-VIFPVBQESA-N	311.769	1.823	50	20	DDGD	
O=C(O)CCCCCNC(=O)NN=c1cc[nH]c2cccnc12	1595038647	VACJKAMHPPPKEA-UHFFFAOYSA-N	317.349	1.323	50	20	DDGD	
CO[C@](C)(C(=O)O)C(=O)NNc1ccc(OC(F)F)cc1	1593926322	GLRIIJVYWKDFPO-LBPRGKRZSA-N	304.249	1.221	50	20	DDGD	
C[C@H](CCCCN)NC(=O)NNc1cccc(C(=O)O)c1F	1592485784	VUCUHTIKWUMOJZ-SECBINFHSA-N	312.345	1.668	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1ccncc1C	1599376909	WAIFKCAFHJCWCA-UHFFFAOYSA-N	301.302	1.854	50	20	DDGD	
CC[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](Cl)CC)C2	1792979240	JQLLNFWMFKTOBR-MLGHIDQZSA-N	316.829	1.413	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)c2ccccn2)cc1C	16099730	XAYVJRACFDGIII-UHFFFAOYSA-N	305.359	1.322	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cccc(F)c2)cc1	17111908	LHRBTCWDHHQBKG-UHFFFAOYSA-N	302.305	1.974	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1	17330136	RSFLROYSLLZEJP-UHFFFAOYSA-N	313.313	1.907	50	20	DDGD	
CNc1nc(C(=O)NNC(=O)c2ccc(C#N)cc2)cs1	162268573	RSSKNJGOYHGTOU-UHFFFAOYSA-N	301.331	1.131	50	20	DDGD	
CCC(=CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)CC	164226471	MLRYNDZIHSGAIO-AWEZNQCLSA-N	304.346	1.720	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cn(CCC(C)C)nn2)n1	151028168	FBFIOKHPDQMUCJ-UHFFFAOYSA-N	303.370	1.488	50	20	DDGD	
CCN(CCS(C)(=O)=O)/C(=C/C#N)c1ccc([N+](=O)[O-])cc1	154049123	HMYFTXKSFPVWKS-RIYZIHGNSA-N	323.374	1.826	50	20	DDGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cc[nH]n1	48016874	KSCKKNYWUWHRCC-NSHDSACASA-N	324.340	1.791	50	20	DDGD	
O=S(=O)(CCCCCl)Nc1cnn(C[C@@H]2CCCO2)c1	228331113	NAHNWAQHULPGAU-LBPRGKRZSA-N	321.830	1.823	50	20	DDGD	
CC(C)C1(O)CN(S(=O)(=O)c2ccc(CCCl)cc2)C1	232531387	VEYKIUKICOZKSZ-UHFFFAOYSA-N	317.838	1.859	50	20	DDGD	
Cc1ccc(F)c(S(=O)(=O)NNC(=O)Cc2cccnc2)c1	103426064	SGBMAVWVBXZWMB-UHFFFAOYSA-N	323.349	1.081	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H]2CCCN(C(C)=O)C2)cc1	8248690	ALFKCYMIHLGXSF-HNNXBMFYSA-N	317.389	1.269	50	20	DDGD	
Cc1[nH]c(-c2ccccn2)n/c(=N/NC(=O)c2cnn(C)c2)c1C	114890799	LLGZSJJUGCVGHE-UHFFFAOYSA-N	323.360	1.068	50	20	DDGD	
C[C@@H](Oc1ccccc1)C(=O)NNC(=O)c1cccc(C#N)c1	103402678	BLDJXASZBZHIBQ-GFCCVEGCSA-N	309.325	1.787	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cccnc1S	55351850	JHOJIYZFQNBECY-UHFFFAOYSA-N	317.370	1.383	50	20	DDGD	
CC[C@H](CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)C(C)C	105365255	JPOJPAWSQPIYQS-OLZOCXBDSA-N	304.456	1.551	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCO[C@H](c2ccccc2)C1	171770027	FMXWYCZFSNMJNR-ZDUSSCGKSA-N	305.378	1.847	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1	65191747	DUSLWZAYPJAFAZ-UHFFFAOYSA-N	317.305	1.430	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)COCC1CC1	60603225	OXQCOKOESKYYDQ-SNVBAGLBSA-N	310.325	1.167	50	20	DDGD	
Cc1cccc(C(=O)N[C@H](C)C(=O)NNC(=O)CC(C)(C)C)c1	103199093	QXECLOITTIFJBA-GFCCVEGCSA-N	319.405	1.697	50	20	DDGD	
C[C@@H](c1ccccn1)N(C)C(=O)NNC(=O)Cc1cccnc1	103518633	UMEQUAJMNJUTNR-LBPRGKRZSA-N	313.361	1.453	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)NC2CC2)c1OC(F)F	64900713	ALZPCPWWUIMEFI-UHFFFAOYSA-N	315.276	1.403	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H]2CCCO2)cc1	27740435	DCJYHSMJYZTJSH-FZMZJTMJSA-N	322.361	1.179	50	20	DDGD	
Cc1cc(Cl)ccc1OCC(=O)NNC(=O)Cc1cc[nH]n1	173616249	GIJOLBABOHDFDP-UHFFFAOYSA-N	322.752	1.140	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@@H](C)CCN(C)C)c1	62507199	WSIZQBVYMXJYEW-ZDUSSCGKSA-N	322.409	1.044	50	20	DDGD	
N#Cc1ccc(NNC(=O)CNC(=O)c2ccc(F)cc2)cc1	178841618	WVBTVSYBRPXYBG-UHFFFAOYSA-N	312.304	1.570	50	20	DDGD	
O=C(NNc1cccc(Cl)c1)c1ccc2c(c1)C(=O)NC2=O	171446842	SHESLANSDBBQLG-UHFFFAOYSA-N	315.716	1.981	50	20	DDGD	
COc1c(C)cc(C(=O)NNC(=O)NCC(F)(F)F)cc1C	179882773	RXCIOHYKRXWNOV-UHFFFAOYSA-N	319.283	1.818	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc(Cl)c(Cl)[nH]1	110758799	XIMKWVJMDMMUOX-UHFFFAOYSA-N	302.121	1.428	50	20	DDGD	
CCC(=O)N1CCC(=NNC(=O)Cc2ccc(F)cc2)CC1	64306413	ASESMAGUFJRDPO-UHFFFAOYSA-N	305.353	1.873	50	20	DDGD	
Cc1ccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c(C)c1	68742255	BLONQKFBLWCLSO-ZDUSSCGKSA-N	310.419	1.409	50	20	DDGD	
COc1ncccc1C(=O)NNC(=O)c1cc2ccccc2o1	177738345	CQOONZNUMPHTII-UHFFFAOYSA-N	311.297	1.911	50	20	DDGD	
COC1CCN(C(=O)NNC(=O)CCOc2ccccc2)CC1	61011295	INZXESBKBIZKTA-UHFFFAOYSA-N	321.377	1.307	50	20	DDGD	
CC(=O)c1cccc(O[C@@H](C)C(=O)NNc2ncccn2)c1	68786080	VZZAZPRFRYHGEV-NSHDSACASA-N	300.318	1.590	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NNC(=O)c1ccc(CN(CC)CC)o1	69298262	LAFBNOWWINOBCZ-OCCSQVGLSA-N	323.393	1.307	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Cc1ccc(F)cc1Cl	122330258	HRKIADVBTDMKFT-UHFFFAOYSA-N	321.739	1.807	50	20	DDGD	
O=C(NNC(=O)c1cccc2ncccc12)Nc1cccnn1	186550325	MJVOJMOMOQPJCU-UHFFFAOYSA-N	308.301	1.491	50	20	DDGD	
COc1cccc(NNC(=O)c2ccccc2-n2ccnn2)n1	183954119	OVKIQXXAVZJUHP-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@H](C)CN2CCCC2)n1	181425053	NFDUCTGWDISXAM-LBPRGKRZSA-N	307.398	1.448	50	20	DDGD	
CN(C)CCOc1cc(C(=O)NNC(=O)CC(C)(C)C)ccn1	183165598	OLAKDAMANATUQG-UHFFFAOYSA-N	322.409	1.219	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCS[C@H]2COCC[C@@H]21	154761538	QVHPCAQOGYOQEX-QWRGUYRKSA-N	313.872	1.542	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)CCN2C(=O)CCC2=O)cc1	181117092	HNHOVBSRYPBKJI-UHFFFAOYSA-N	317.389	1.966	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cccc2ncccc12	124629536	ASQDWNNSPISEBP-UHFFFAOYSA-N	312.251	1.741	50	20	DDGD	
CSCCNC(=S)NNC(=O)C1(c2ccccc2C)CC1	180300900	AJJISKFQVLKIGS-UHFFFAOYSA-N	323.487	1.885	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNC(=O)Cc2cc[nH]n2)cc1C	183404081	CCOKTKPUARXQCD-UHFFFAOYSA-N	315.333	1.316	50	20	DDGD	
CCc1ccc(/C=C/C(=O)NNC(=O)C(=O)NC(CC)CC)o1	120709479	FWBNCAUCFLKVFZ-MDZDMXLPSA-N	321.377	1.307	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)c2cccc(N(C)C)c2)on1	72644821	GCZIKTZSVSQIPL-UHFFFAOYSA-N	316.361	1.939	50	20	DDGD	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NN(C)C(N)=O	182670374	FRQBHFGOCFQOCZ-QMMMGPOBSA-N	303.284	1.926	50	20	DDGD	
COc1cc(C(=O)NNc2ccnc(F)c2)ccc1[N+](=O)[O-]	182521362	RIROBELVAYOZKN-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1	181961794	YXPXMDLXBCNQTG-UHFFFAOYSA-N	304.350	1.532	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cc(C#N)ccc1Cl	186949558	OBLNKOLHICUWOW-MRVPVSSYSA-N	315.782	1.567	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C2(C#N)CCC2)c1	134484400	VGPWQMIJCKPOHM-UHFFFAOYSA-N	301.346	1.524	50	20	DDGD	
Cc1nc(-c2ccsc2)ccc1C(=O)NNC(=O)C(C)(C)O	190071585	WKYSBWFGMCGQHX-UHFFFAOYSA-N	319.386	1.650	50	20	DDGD	
C=CCC1(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)CCC1	191954780	BKDGECRKWYMSRD-KBPBESRZSA-N	323.437	1.380	50	20	DDGD	
Cn1cc(C(=O)NNc2ncnc3ccsc23)ccc1=O	132545859	FQXXYFWZQALKJA-UHFFFAOYSA-N	301.331	1.147	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)C1=Cc2cc(F)ccc2OC1	134513944	HXEVGJMHZUQWLO-UHFFFAOYSA-N	313.288	1.458	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC[C@@H](OCCO)C1	194783416	OHWUFRONTBAJJY-SCOADAFUSA-N	316.357	1.299	50	20	DDGD	
CC(C)N1CCC(NC(=O)NNc2nc3ccccn3n2)CC1	190445431	KABQNZVAUIXOIR-UHFFFAOYSA-N	317.397	1.228	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)Cc1c(F)cccc1F	88241620	LYEBZHACRNPPQC-UHFFFAOYSA-N	301.362	1.801	50	20	DDGD	
COC(=O)c1ccc(C)c(NC(=O)NNc2cnccn2)c1	149111328	FUKBMNGSFNPNAB-UHFFFAOYSA-N	301.306	1.720	50	20	DDGD	
O=C(NN=Cc1ccc(O)cc1O)c1ccc2c(c1)OCO2	254763089	VLRWKLMYJHATCA-UHFFFAOYSA-N	300.270	1.590	50	20	DDGD	
CC(=NNC(=O)Cn1nc(C)cc1C)c1ccc([N+](=O)[O-])cc1	254746952	NESXUXRBROSOHL-UHFFFAOYSA-N	315.333	1.949	50	20	DDGD	
CCCN(CC(=O)NNC(=O)c1ccc(F)cc1)CC1CC1	267954921	IKNYDJGRAULETN-UHFFFAOYSA-N	307.369	1.709	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CC(=O)N(C(C)C)C2)s1	267776730	XWTBSUKRVUNDLF-SNVBAGLBSA-N	324.406	1.010	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc(N2CCOCC2)cc1	264054811	UTWAZYBQBCQVLB-UHFFFAOYSA-N	319.405	1.720	50	20	DDGD	
CC1(CNC(=O)NNC(=O)c2ccccc2O)CCOCC1	267814507	FGKDKPTZKKINMM-UHFFFAOYSA-N	307.350	1.153	50	20	DDGD	
COCCC1(CNC(=O)NNC(=O)c2ccccc2C)CC1	269089516	OABLRPKEVLYOBU-UHFFFAOYSA-N	305.378	1.756	50	20	DDGD	
COCCCNC(=O)NNC(=O)C[C@@H](C)c1ccccc1OC	264242273	ZNYAYLSWSFYGKQ-GFCCVEGCSA-N	323.393	1.556	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2C[C@H]2c2ccco2)cc1	368789128	BELPWJGLCUVPLT-ZIAGYGMSSA-N	314.341	1.918	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H](C)[C@@H]1CCCCO1	272030457	ZJMYZZYTQRVWEM-AAEUAGOBSA-N	321.377	1.597	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1cnc2ccccc2c1	274233989	WYZZFJCSZYPZEB-UHFFFAOYSA-N	314.345	1.367	50	20	DDGD	
C[C@@H](CCc1ccco1)NC(=O)NNc1nc2ccccn2n1	276709701	QNYHLYXLNHYABH-NSHDSACASA-N	314.349	1.970	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCc1ccc(OC)c(Cl)c1	272637652	CSPMODYHWPVYQQ-UHFFFAOYSA-N	313.785	1.974	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cn(C)nc2C(C)(C)C)n1	279832199	QVOTTWHKVJPYPS-UHFFFAOYSA-N	315.377	1.496	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H](C)COCC(F)(F)F)nc1	276053820	ZDINUOJACCGHMW-QMMMGPOBSA-N	322.287	1.684	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCCc2nc(C)no2)c1	272881894	ZCIICKGIGBUMQT-UHFFFAOYSA-N	318.333	1.631	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(N2CCCC2=O)cc1	271367438	OSJGKISFXPYCLS-UHFFFAOYSA-N	304.350	1.120	50	20	DDGD	
O=C(NCC(Cl)Cl)C1CCN(c2cnccn2)CC1	288775090	DDLRBXVCUGHYNR-UHFFFAOYSA-N	303.193	1.613	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1CCN(C2CCCCC2)C1	281326903	TVIRHPPZVJRAGE-GFCCVEGCSA-N	310.467	1.322	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H](CC)Oc1ccccc1C	280902301	DYBIMXDOFVHNNH-LBPRGKRZSA-N	307.419	1.834	50	20	DDGD	
CCOC(=O)CC(C)(C)CC(=O)NNc1nc(C)cc(OC)n1	289142726	IJUFHEYTYKJVPS-UHFFFAOYSA-N	324.381	1.606	50	20	DDGD	
COCCN(C)NC(=O)c1cccc(Br)c1C	288444715	OMUZFNQUGAAZRT-UHFFFAOYSA-N	301.184	1.981	50	20	DDGD	
CC(C)NC(=O)NNS(=O)(=O)c1csc2ccccc12	285081362	KQNYTGISPFQFOR-UHFFFAOYSA-N	313.404	1.802	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)NC1CCCCC1	284953788	FAHNOADELSBJIX-UHFFFAOYSA-N	301.354	1.621	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccccc1)Nc1cc(F)cc(F)c1	802003558	QGKHACSMIVTEOC-CYBMUJFWSA-N	321.283	1.851	50	20	DDGD	
CC(C)(CNC(=O)NNc1ncncc1F)c1ccccn1	296935563	QKBWJWBBLHSEJX-UHFFFAOYSA-N	304.329	1.615	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2ccc(C#N)cc2)ccn1	806984157	NQEIJGVDQMESGX-UHFFFAOYSA-N	311.301	1.044	50	20	DDGD	
Cn1nncc1C(=O)COC(=O)[C@@H](Br)C(C)(C)C	803438654	YNNPDKPJLZMVQG-SECBINFHSA-N	318.171	1.351	50	20	DDGD	
O=C(NCc1nccs1)NNc1ccc2c(=O)[nH]ccc2c1	806454453	KAQHVDOAWWSINJ-UHFFFAOYSA-N	315.358	1.811	50	20	DDGD	
COc1cccc(NNC(=O)Nc2cccc3c2CNC3=O)n1	806754540	YHASCGWBWMEKFG-UHFFFAOYSA-N	313.317	1.482	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)o1	801999672	GCMKATUHNVTJTH-UHFFFAOYSA-N	324.243	1.123	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)CCc2ccccc2O)O1	800330417	UPYRQXWIUNCXBL-HFAKWTLXSA-N	306.362	1.286	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc([N+](=O)[O-])n1C	805376560	XXYONIQKVXLDQN-UHFFFAOYSA-N	319.277	1.907	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)c2ccnnc2)c1	802116649	LZNHVBJNVNJMRS-UHFFFAOYSA-N	321.724	1.605	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc(F)cc2Br)nn1	809730120	AXKZJIHIXSMWJM-UHFFFAOYSA-N	314.118	1.474	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)OC	812912276	LMUIVIYGYRQORE-SNVBAGLBSA-N	313.785	1.649	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cc(C)cc(CN)c1	818637385	ARNAUJHMGLVWLQ-UHFFFAOYSA-N	313.448	1.520	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC[C@]2(O)C[C@H]3CC[C@H]2C3)o1	813787500	YVLPPGQZNLMDTB-MKBNYLNASA-N	321.377	1.473	50	20	DDGD	
COc1ccc(NC(=O)NNc2ncncc2F)c(Cl)n1	814666263	CWGCZHLKJOKXOG-UHFFFAOYSA-N	312.692	1.821	50	20	DDGD	
COC(=O)c1c(C)[nH]c(C(=O)NNc2ncncc2F)c1C	817079179	LIWGLKSFZXITOE-UHFFFAOYSA-N	307.285	1.104	50	20	DDGD	
O=C1CCc2cc(C(=O)NNc3ncncc3F)c(F)cc2N1	817080283	YJDHDDCCCBFHEK-UHFFFAOYSA-N	319.271	1.396	50	20	DDGD	
O=C(Cc1ccn(-c2ccccc2)n1)NNc1ncncc1F	817080075	DVPIJXLGEZWNRX-UHFFFAOYSA-N	312.308	1.487	50	20	DDGD	
COc1ccc(NC(=O)NN=Cc2cccc(C(N)=O)c2)cc1	814999314	UOLXQNHQULMSEE-UHFFFAOYSA-N	312.329	1.950	50	20	DDGD	
COc1ccc(NC(=O)NN=Cc2cnc3cnccn23)cc1	814996782	BFOYDUDGEJYBRT-UHFFFAOYSA-N	310.317	1.894	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2c(C)nn(C)c2N)c2ccccc2n1	814713648	FGDNQNUHWMIMDN-UHFFFAOYSA-N	322.372	1.931	50	20	DDGD	
CCNC(=O)NNC(=O)c1ncoc1-c1ccc(OC)cc1	813424749	WKVVQSIUVIHDAM-UHFFFAOYSA-N	304.306	1.314	50	20	DDGD	
CC[C@@H](C)NC(=O)CCNC(=O)NNc1cccc(Cl)n1	814285842	PWUIKNXWIIVEEA-SECBINFHSA-N	313.789	1.666	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cc(O)ccc2Cl)c1	810346668	GGISQLGHPQCYAE-UHFFFAOYSA-N	315.716	1.992	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)C)ccc1-n1cccn1	817520046	WJDLYGBROQVDOP-UHFFFAOYSA-N	300.362	1.988	50	20	DDGD	
CNC(=O)NCCC(=O)NNc1c(Cl)cc(F)cc1Cl	815904235	ZATKZBANNHMSRN-UHFFFAOYSA-N	323.155	1.895	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=O)c2ccccc2F)C1	816814536	UNKDGFAFAOSFDP-CABZTGNLSA-N	316.336	1.676	50	20	DDGD	
O=C1CC(C(=O)NNC(=O)Cc2cccnc2)(c2ccccc2)C1	810348603	PPJMPKBNJRAQAO-UHFFFAOYSA-N	323.352	1.072	50	20	DDGD	
O=C(CCc1cncs1)NNC(=O)COCc1ccccc1	814410688	IASURAFWVIXYIK-UHFFFAOYSA-N	319.386	1.440	50	20	DDGD	
CC(C)OC1CCN(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)CC1	827288467	MPLZRYPMKQWABG-AAEUAGOBSA-N	313.398	1.042	50	20	DDGD	
CN(C[C@@](C)(O)c1ccccc1)C(=O)/C(C#N)=C/c1cnn(C)c1	491053540	YSJNPVYJNOATCU-IKFRKZOMSA-N	324.384	1.693	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc(-c2cn(C)nn2)c1	825697838	KMGQJTHRIJVREX-SNVBAGLBSA-N	316.365	1.681	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCO[C@H](c3ccccc3)C2)cn1	491160540	LMXKBAGNQLYJEW-STKCSNAVSA-N	322.368	1.927	50	20	DDGD	
CCCC[C@@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)OC	491014567	XXIZDJBZHDYARQ-FFXRNRBCSA-N	304.350	1.175	50	20	DDGD	
COc1cccc(S(=O)(=O)NNC(=O)NC2CCCC2)c1	727362513	UFOIMXVIFPYHSS-UHFFFAOYSA-N	313.379	1.130	50	20	DDGD	
COCCn1cc(/C=C(/C#N)C(=O)NCCCOC(C)C)cn1	490662736	DNUZIPPEYBMVTR-DHDCSXOGSA-N	320.393	1.368	50	20	DDGD	
CCC[C@@H](C)N1C[C@H](C(=O)NNC(=O)OC(C)(C)C)CC1=O	490786844	JEHVAVNQUAKAMJ-GHMZBOCLSA-N	313.398	1.579	50	20	DDGD	
CC(C)COC(=O)N1CCC(C(=O)NNC(=O)C(C)C)CC1	490988489	BDHZPHREGIFUNX-UHFFFAOYSA-N	313.398	1.294	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCCCC(=O)NC)cc1	490665043	XSSMRKHLTSOOCS-SDNWHVSQSA-N	315.373	1.635	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)C[C@@H]1CC[C@@H]2C[C@H]12	826590520	QHHYJDRUXBEUCB-DYEKYZERSA-N	312.373	1.460	50	20	DDGD	
C[C@]1(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C[C@H]1Br	906458326	DXFLOZJDRRCRQO-WGBDABJCSA-N	317.227	1.139	50	20	DDGD	
C[C@H](C[C@@H](O)c1cccs1)NCc1ccc(B(O)O)cc1	585035312	RVGFSOJYZUVPBZ-BXUZGUMPSA-N	305.208	1.030	50	20	DDGD	
Cc1cc(C(=O)NN(C)C[C@@H](C)O)nn1-c1ccccc1Cl	821218314	YBAADAZIAHYTAJ-LLVKDONJSA-N	322.796	1.792	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@@H]1CCS[C@H]1C	827643215	KBXLBBUUOOIIQZ-CMPLNLGQSA-N	323.418	1.462	50	20	DDGD	
CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1cc(C)cc(C)c1	730434564	NRLKHNJLBMWRCP-LBPRGKRZSA-N	311.407	1.081	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1	823898154	SFJZSHZVCONSTL-ZIAGYGMSSA-N	321.421	1.259	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)C1CCC1	732140635	GQKVEJWGTYCSHV-LBPRGKRZSA-N	307.394	1.115	50	20	DDGD	
Cn1cc(CC(=O)NNC(=O)[C@H]2CCCCO2)c2ccccc21	833251539	ZTXZOLTXSFQOFP-OAHLLOKOSA-N	315.373	1.437	50	20	DDGD	
CN(CC[C@H]1CCCCN1C)C(=O)/C(C#N)=C\c1cnn(C)c1	491108872	YQEWMPXFSSFDIO-DDITZMBXSA-N	315.421	1.660	50	20	DDGD	
CN(C)CC(=O)NN=Cc1cccc(F)c1Br	834953692	DCGYNSBEWKIUGP-UHFFFAOYSA-N	302.147	1.600	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCOC[C@H]1C1CCC1	830219216	LELYHHRXKLBAGF-OCCSQVGLSA-N	311.426	1.069	50	20	DDGD	
O=[N+]([O-])c1cc(Br)ccc1N1CC[C@@H](B(O)O)C1	585072685	DINLUTOHXNBEIP-SSDOTTSWSA-N	314.932	1.410	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cn(C)nc2C2CC2)n1	901149599	NBAWQJZZQHNGMP-UHFFFAOYSA-N	300.366	1.261	50	20	DDGD	
CCCn1cc(C(=O)NNc2ccc(C(=O)OC)c(F)c2)cn1	837057746	IKUGUZVFIUCRBZ-UHFFFAOYSA-N	320.324	1.976	50	20	DDGD	
CO[C@@H]1C[C@H](NC(=O)NNc2cncc(Cl)n2)C12CCC2	838766067	KHWBQEFDCJLVBB-DTWKUNHWSA-N	311.773	1.714	50	20	DDGD	
COc1ccccc1C(=O)NN=Cc1cccc(-c2nn[nH]n2)c1	737138251	MVNHYZITSKXADC-UHFFFAOYSA-N	322.328	1.639	50	20	DDGD	
CCOc1ccc(CNCc2cccc(B(O)O)c2)cc1Cl	585042487	SBLXEHWJUYDQBS-UHFFFAOYSA-N	319.597	1.708	50	20	DDGD	
O=C(N[C@@H](c1ccccc1)C1CCC1)c1ccc(B(O)O)cc1	584941699	FENLRXSJNABZIG-KRWDZBQOSA-N	309.174	1.638	50	20	DDGD	
CO[C@@H]1Cc2ccc(NCc3ccc(B(O)O)cc3F)cc2C1	585033653	ADHWCWQWYUCYFG-MRXNPFEDSA-N	315.153	1.231	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1nccnc1C1CCC1)C(C)(C)C	832020943	QJWUPYJGENPCID-CYBMUJFWSA-N	319.409	1.738	50	20	DDGD	
CN(C)CCN(Cc1cccc(F)c1)S(=O)(=O)CCl	830231775	WAYOAYIGKPDXSK-UHFFFAOYSA-N	308.806	1.715	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H]1CSC(c2ccccc2)=N1	908450875	UWJVVGDRTMSOCJ-LBPRGKRZSA-N	303.387	1.496	50	20	DDGD	
Cc1cc(C(=O)NNc2nccnc2Cl)n2nc(C)cc2n1	734261232	GKXLXAFFTBAHRZ-UHFFFAOYSA-N	317.740	1.546	50	20	DDGD	
C[C@H]1CC[C@H](CNC(=O)NNC(=O)CCCc2ccccc2)O1	838743963	HXGJXXGJJJLOHC-DZGCQCFKSA-N	319.405	1.907	50	20	DDGD	
Cc1ncc2c(n1)CCC[C@@H]2NC(=O)NNC(=O)CC(C)(C)C	734951243	PLKPXIFGOSLDHH-ZDUSSCGKSA-N	319.409	1.929	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCCSC(F)(F)F	918076370	GSRMYEUVUQYMGB-UHFFFAOYSA-N	313.223	1.522	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNC(=O)c1ccc(Cl)nc1	839543817	HNRKBNGDGJMJIU-SECBINFHSA-N	313.741	1.085	50	20	DDGD	
Cc1ccc2nc(CNC(=O)NNc3ccc(C)nn3)cn2c1	730064756	LVACJTIHVBLIHX-UHFFFAOYSA-N	311.349	1.567	50	20	DDGD	
CN1CCC[C@@H](CCNC(=O)NNc2nc3ccccn3n2)C1	838773452	YYAPMSWGCMMKNA-LBPRGKRZSA-N	317.397	1.087	50	20	DDGD	
O=S(=O)(CCl)N1CCC(Oc2ncccc2F)CC1	831304264	OSUMWXQWQIAMCA-UHFFFAOYSA-N	308.762	1.590	50	20	DDGD	
COCCN(C)NC(=O)[C@@H](O)c1cccc(C(F)(F)F)c1	837628485	YPNRXCJLUJOPMH-NSHDSACASA-N	306.284	1.348	50	20	DDGD	
C[C@]1(CNC(=O)NNc2ncncc2F)CC1(Cl)Cl	836588619	GTVSPUDKJXSLLS-SECBINFHSA-N	308.144	1.826	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCc1ccon1	747593368	BPFKOCGCFGMTKI-SECBINFHSA-N	322.296	1.112	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](C1CC1)C1(CO)CCOCC1	911982890	OUJCRCPNSGTFJE-UELRPHRMSA-N	308.378	1.114	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1ccc(-c2ccco2)nn1	845351570	QORNSBHEMFJFPQ-VIFPVBQESA-N	320.374	1.775	50	20	DDGD	
CCNCCNC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	841935783	ZBCOPHNKUAAPKB-UHFFFAOYSA-N	322.453	1.533	50	20	DDGD	
COCCN(C[C@@H](C)CBr)C[C@@H](O)C(F)(F)F	847024336	IOFNOEDYCBVIPV-DTWKUNHWSA-N	322.165	1.889	50	20	DDGD	
COc1ccc(-c2n[nH]cc2C(=O)NN(C)C[C@@H](C)O)cc1	910175484	PMQMNZGCGDXXLT-SNVBAGLBSA-N	304.350	1.043	50	20	DDGD	
CN(CCCOc1ccccc1)CC(=O)NNC(=O)C(C)(C)C	744386651	DBXRFGZWFHUFNY-UHFFFAOYSA-N	321.421	1.581	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)CCC=C2	843660516	WZGVJWFFGOVJRN-ABAIWWIYSA-N	300.358	1.832	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)c2cn[nH]c2)cc1	916163213	XFHZXMIPVXCCRS-UHFFFAOYSA-N	305.363	1.440	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)OC[C@@H](O)C(C)C)cc(C#N)n1C	849673754	ZEGMQKJNOVPGCS-KSKAUBAUSA-N	301.346	1.672	50	20	DDGD	
C[C@]1(C(=O)N2CC[C@H](N3CCOC3=O)C2)C[C@H]1Br	912401261	RUFJYEHRUHVHNV-SBMIAAHKSA-N	317.183	1.213	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CSc1ccc(F)cc1	843649831	XUFMZZJVOMKORU-JOYOIKCWSA-N	312.366	1.490	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)NC(C)(C)c1nccs1	744401853	GMNWGLSMICYLQO-JTQLQIEISA-N	312.439	1.550	50	20	DDGD	
CCc1ccc(S(=O)(=O)NNC(=O)C(C)C)cc1[N+](=O)[O-]	842574861	QNXQCWZZXYPQHM-UHFFFAOYSA-N	315.351	1.123	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@](C)(O)Cc2ccccc2)n1	841470953	HRYYNFZCXFEWAB-OAHLLOKOSA-N	320.780	1.875	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1ccc(C(=O)NC2CC2)cc1	842553207	FRKGGKUODPHQJY-ABAIWWIYSA-N	315.373	1.454	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)COC(=O)CCC2CC2)cc1	745041178	DMVHDXPWCJYFOG-UHFFFAOYSA-N	315.329	1.053	50	20	DDGD	
NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	847351217	NXOMXKRDWIXNQV-YUMQZZPRSA-N	312.713	1.203	50	20	DDGD	
O=C(NCc1cocn1)NNC(=O)c1cccc2ccccc12	743598380	GVBZLBHSXJTAPO-UHFFFAOYSA-N	310.313	1.972	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cc1c[nH]c2ccc(F)cc12	843650269	AIPHOALDOCGWFD-BXKDBHETSA-N	319.336	1.422	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C[C@H]1CCc2ccccc21	843650526	DLOPTVMEKOZVBC-IACUBPJLSA-N	302.374	1.679	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@@H](C)c2cnn(C)c2)o1	749932745	BYDJLVNNYNLYEP-VIFPVBQESA-N	302.338	1.650	50	20	DDGD	
C[C@H](c1ccccc1)[C@](C)(O)C(=O)NNC(=O)NCC1CC1	747367130	OIBQBKJSCVFDTC-BZNIZROVSA-N	305.378	1.282	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CCCNCC2)c1	841977560	NAUGISWZMXAEOV-GFCCVEGCSA-N	306.366	1.241	50	20	DDGD	
CC1(C)CC(=NNC(=O)c2nn(-c3ccccc3)cc2O)CO1	841611534	WJFRRIRMPQNTGN-UHFFFAOYSA-N	314.345	1.863	50	20	DDGD	
COC[C@H](NC(=O)NNc1ccc(F)c(F)c1)[C@@H]1CCCO1	922248006	GOYODBZIKVJFBO-STQMWFEESA-N	315.320	1.785	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CC[C@@H]2CCOC2)cc1C	751298145	XEVGVRDPTMFVKE-CQSZACIVSA-N	320.389	1.646	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1csc(-c2ccc(C)o2)n1	854925636	JAFHOXVMAUIGMW-UHFFFAOYSA-N	310.404	1.792	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@@H]1CCO[C@@H](C2CC2)C1	856887451	ZTMYOVVNBXBHDC-GHMZBOCLSA-N	311.773	1.714	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@@H](CN)C2)C[C@@H]1Br	857105458	LMAFCTZOZVIKTL-JBLDHEPKSA-N	304.232	1.540	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NN=Cc3cnnn3C)n[nH]2)cc1	751130898	NUXWRLXUUFZZQR-UHFFFAOYSA-N	309.333	1.278	50	20	DDGD	
CC(C)(C)n1nnc(C=NNC(=O)COCc2ccccc2)n1	853310420	PRCUVKBCPOZRBG-UHFFFAOYSA-N	316.365	1.095	50	20	DDGD	
CCOC(=O)NC1CCC(=NNC(=O)c2ccncc2)CC1	853255253	YXVOBPLKYLKNFE-UHFFFAOYSA-N	304.350	1.856	50	20	DDGD	
O=C(NN=Cc1cccc(Cl)c1F)[C@H]1CCS(=O)(=O)C1	759648077	HXOQTOHKZGGDKC-VIFPVBQESA-N	318.757	1.364	50	20	DDGD	
C[C@@]1(CNC(=O)C2(S(C)(=O)=O)CCC2)C[C@H]1Br	857389336	ZUTGQGDIYPBJII-SCZZXKLOSA-N	324.240	1.243	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1cnc(N(C)C)s1	755661671	SIBYXWGVNRJSTJ-UHFFFAOYSA-N	318.402	1.911	50	20	DDGD	
COC(=O)CNC(=O)NN=C[C@H]1CCC[C@@H](C(F)(F)F)C1	853330975	ARINLIRXUPSRCH-DTWKUNHWSA-N	309.288	1.813	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCO2)Nc1ccsc1	757659281	XOHIIXNGYRLQCN-UHFFFAOYSA-N	305.315	1.943	50	20	DDGD	
CC1=NO[C@H](C(=O)NNC(=O)Nc2ccc(C)cc2Cl)C1	854380135	ZFNLZHANOIKDMQ-NSHDSACASA-N	310.741	1.966	50	20	DDGD	
CNC[C@@H](C)NC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	851682617	XTJQPLQLXFOWJJ-VHSXEESVSA-N	324.450	1.425	50	20	DDGD	
Cc1cccc([C@@H](O)CNC(=O)NNC(=O)C2CCCC2)c1	753343855	KNRUMSPWLRDCIV-AWEZNQCLSA-N	305.378	1.549	50	20	DDGD	
C[C@@H]1CN(C(=O)NC[C@@]2(C)C[C@@H]2Br)CCCO1	856952611	CMXRWDFNKXTOIC-JFGNBEQYSA-N	305.216	1.980	50	20	DDGD	
C[C@H]1CC(=NNC(=O)CNc2ccccc2F)CN1C1CC1	753954574	DUMVWMPQYHPDPY-NSHDSACASA-N	304.369	1.966	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H](C)OCc2ccc(C)cc2)n1	858403444	BNSVMLLELYKVNW-LBPRGKRZSA-N	316.361	1.842	50	20	DDGD	
Cn1nc(C(=O)NNc2ccc(C(F)(F)F)cn2)cc1O	857488138	AXQCJHLWGIAGSY-UHFFFAOYSA-N	301.228	1.296	50	20	DDGD	
O=C(CCc1ccc(O)cc1)NNC(=O)OCC(F)(F)F	856023124	ZGDHMOMESVKSCV-UHFFFAOYSA-N	306.240	1.645	50	20	DDGD	
CCc1cccc(OCC(=O)NNC(=O)c2ccc(C)o2)c1	752524095	DRYQQRKCVKRZKE-UHFFFAOYSA-N	302.330	1.990	50	20	DDGD	
CNC(=S)N(C)NC(=O)C[C@H](c1ccccc1)c1ncc[nH]1	854920559	DGTNUUVCMNREIN-GFCCVEGCSA-N	317.418	1.399	50	20	DDGD	
CCOc1cccc2[nH]cc(CC(=O)NN(C)C(=S)NC)c12	854920765	UMAADVBMSDLIPK-UHFFFAOYSA-N	320.418	1.576	50	20	DDGD	
CC(C)OC[C@@H]1CN(C(=O)NNC(=O)C2CCCC2)CCO1	753343730	IPLDUWNPBGAGCN-ZDUSSCGKSA-N	313.398	1.043	50	20	DDGD	
O=C(C[C@H]1CC(=O)NC1=O)NNc1ccc(C(F)(F)F)cc1	935022471	HTUXEGXRDCNJAN-SSDOTTSWSA-N	315.251	1.201	50	20	DDGD	
C[C@@H]1CN(C)C(=O)CN1C(=O)NC[C@]1(C)C[C@@H]1Br	856902156	DPDKWQQFIJNPOI-PTRXPTGYSA-N	318.215	1.032	50	20	DDGD	
C[C@@]1(CNC(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H]1Br	857399665	SGPKJVHOPULCAB-XCBNKYQSSA-N	317.143	1.081	50	20	DDGD	
N#CC[C@H]1CCCN(CC(=O)NNC(=O)c2cccs2)C1	852319252	ILOYIOMCGFWIEA-LLVKDONJSA-N	306.391	1.135	50	20	DDGD	
COc1cc(OC)c(C(=O)NN[C@@H](C)C(F)(F)F)cc1OC	862302893	FDGGLFCVYDDCKN-ZETCQYMHSA-N	322.283	1.898	50	20	DDGD	
CCCOc1ccccc1NC(=O)C(=O)NNc1cnccn1	766257137	RZEQNRKNMPCMIJ-UHFFFAOYSA-N	315.333	1.347	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)Nc1ccc2c(c1)OCO2)C1CC1	861567302	FNLRGGNODZXORU-CYBMUJFWSA-N	321.333	1.383	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)c1cccc2cccnc12	865059967	WVHLWORZYRCFHE-UHFFFAOYSA-N	301.346	1.811	50	20	DDGD	
CC1(C)OCc2cc(C=NNC(=O)[C@@H]3CCC(=O)N3)ccc2O1	863153409	TZRGCRRXXLXOFR-LBPRGKRZSA-N	317.345	1.060	50	20	DDGD	
C#CCNC(=O)[C@H](C)OC(=O)[C@@H](Br)C(C)(C)C	766752073	OTZDXTCXVDYMBI-DTWKUNHWSA-N	304.184	1.477	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)Nc1cnn(CCF)c1	861474740	NJFRXMQXWFBVLX-UHFFFAOYSA-N	319.209	1.676	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1	863768991	MMWMVKLKMHKLBQ-NLYDNYMLSA-N	309.366	1.556	50	20	DDGD	
CCO[C@@H]1COCC[C@H]1NC(=O)NNc1ccc(Cl)nc1	760133544	JSQNHQPPNYSBTF-GHMZBOCLSA-N	314.773	1.555	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCc2cccc(F)c2C1	767772494	AYVCMMOOLYITTD-UHFFFAOYSA-N	307.369	1.377	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)Cn2nccc2C)cc1C	861789892	LSGLBDQUFNQWQA-UHFFFAOYSA-N	316.361	1.820	50	20	DDGD	
CCc1nn(C)c(CC)c1CC(=O)NN=c1cc[nH]c(C)c1	862511846	CUEUKFFLCQLJBS-UHFFFAOYSA-N	301.394	1.356	50	20	DDGD	
CN(C)C(=O)NCCNC(=O)[C@@H](Br)C(C)(C)C	768385961	WJRJHNKJPDZXDH-MRVPVSSYSA-N	308.220	1.183	50	20	DDGD	
Cc1ccccc1[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	868735466	HQXLFOMPIVNEAP-YRGRVCCFSA-N	305.378	1.811	50	20	DDGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)c1cn(C2CC2)nn1	863904796	AMOUYKYXPPORNB-UHFFFAOYSA-N	306.257	1.417	50	20	DDGD	
CC(C)CN1N=C(C(=O)NN[C@@H](C)C(F)(F)F)CCC1=O	862317957	MPYBNWWQQRTTFM-QMMMGPOBSA-N	308.304	1.192	50	20	DDGD	
CC(C)c1ccc(CCC(=O)NNC(=O)c2cn[nH]c2)cc1	862474526	NPLUKOZRSCXEIX-UHFFFAOYSA-N	300.362	1.927	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cnc3[nH]cnc3c2)cc1	763262510	AMRWFMRXNLIANE-UHFFFAOYSA-N	309.329	1.595	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@]2(F)CCOC2)cc1C	1119071101	JBXINTMAPJVIDI-AWEZNQCLSA-N	311.382	1.750	50	20	DDGD	
Cc1cc(C(=O)NNc2nc(O)c3cnn(C)c3n2)sc1C	770979737	ITEBJFDEVMJBKF-UHFFFAOYSA-N	318.362	1.504	50	20	DDGD	
CC1(C)CC(=NNC(=O)Cc2cn3ccccc3n2)CCO1	872355494	WAWUNZCSEATDBK-UHFFFAOYSA-N	300.362	1.938	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CC1CCN(CC(F)(F)F)CC1	873925986	AGFNMXADJIZKIX-UHFFFAOYSA-N	323.359	1.844	50	20	DDGD	
COCCN(C)NC(=O)Nc1c(Br)c(C)nn1C	879701685	TXCSZAHBABQOLQ-UHFFFAOYSA-N	320.191	1.106	50	20	DDGD	
COc1ccc([C@H](C)NCC(=O)NNC(=O)C(C)(C)C)cc1	774854843	JLNIYDBKWHOHIU-NSHDSACASA-N	307.394	1.539	50	20	DDGD	
CN=[S@](C)(=O)c1cccc(NC(=O)NNC(=O)C(C)C)c1	879836241	HXMHGWGKSJVJFJ-OAQYLSRUSA-N	312.395	1.582	50	20	DDGD	
O=C(NNc1ccc(F)cn1)[C@@H]1CCCC[C@@H]1N1CCCC1=O	874647206	OSCDRIBTUVAIRG-OLZOCXBDSA-N	320.368	1.845	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1c(C)cc(C)nc1O	777828325	NFYJJKVVAIALRV-UHFFFAOYSA-N	315.329	1.948	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H]1CCN(c2ccccc2)C1	875095990	BPZDGZVRXWYICG-GFCCVEGCSA-N	306.366	1.425	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)C1=CCCCO1	873769004	JHEYQDCXVHTIMT-UHFFFAOYSA-N	307.375	1.707	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)c1cc([N+](=O)[O-])ccc1O	770605465	NBJTYWBFQVMQDC-UHFFFAOYSA-N	317.305	1.360	50	20	DDGD	
CC(CCn1cccn1)=NNC(=O)c1ccc(-n2cnnn2)cc1	776762489	ATSYZFLCWOCOKE-UHFFFAOYSA-N	324.348	1.055	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(F)c1F	776258914	AQOFJCWACNIDNU-SECBINFHSA-N	316.329	1.240	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N[C@@H](CO)CC1CC1)c1ccccc1	778662447	YKZZTJFRTCBEGP-CQSZACIVSA-N	319.405	1.456	50	20	DDGD	
NC(=O)c1cccc(NC(=O)NNc2cccc([N+](=O)[O-])c2)n1	770076267	ODNYJXCWFSHKCO-UHFFFAOYSA-N	316.277	1.237	50	20	DDGD	
Cc1nc(C(C)C)ncc1C(=O)NNC(=O)[C@H]1CCCCO1	880157496	JXOHKFKLAQWUIO-GFCCVEGCSA-N	306.366	1.239	50	20	DDGD	
CC(=O)NCc1cn([C@@]2(Cl)C[C@H]2CCBr)nn1	881382978	RVNXXAZGCLPPIG-SCZZXKLOSA-N	321.606	1.611	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cnc(OC)nc1	780738201	CHKSZCHDHAGZGP-UHFFFAOYSA-N	302.290	1.029	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cccc(Cl)c1F	883066241	QGFVBGCDNJZMIK-UHFFFAOYSA-N	300.717	1.667	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1	780707933	DMGAUOQHOPDFRM-UHFFFAOYSA-N	300.702	1.554	50	20	DDGD	
C[C@@]1(CNC(=O)N2C[C@H]3[C@@H](O)CC[C@H]3C2)C[C@@H]1Br	889410745	AWOPFFLANXACTL-FBUUZDRASA-N	317.227	1.572	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNC(=O)C2CCOCC2)ccn1	883065245	FODQULYJTBNHJD-UHFFFAOYSA-N	307.350	1.056	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12	1120008522	TWTBPVJTAQFAPK-QFYYESIMSA-N	301.346	1.090	50	20	DDGD	
COCC(=NNC(=O)COc1ccc(C)cc1)C1CCOCC1	780197821	KIPZZXYKSOXNHF-UHFFFAOYSA-N	320.389	1.919	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NCC(C)(C)C#N	781954229	RUGKPHHZTYPSKB-UHFFFAOYSA-N	314.349	1.137	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@H]1CCCC12OCCO2	889506697	PVDHZSQSLAHHSW-LBPRGKRZSA-N	323.324	1.065	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)c1csnn1	787429711	WGBNHEVPLNBGMR-UHFFFAOYSA-N	311.754	1.336	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cnn3cccnc23)c1	780790869	BGYSJWYNQLSDAD-UHFFFAOYSA-N	311.301	1.273	50	20	DDGD	
CN(C)c1ccc(CNC(=O)NNc2ncncc2Cl)cn1	780962238	VLIVBWFQFXRJIX-UHFFFAOYSA-N	321.772	1.417	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@]1(O)CCc2ccccc2C1	899997204	KXCNJYPEMHJIRE-INIZCTEOSA-N	321.446	1.200	50	20	DDGD	
CCCC[C@H](COC)NC(=O)NNc1ncncc1Cl	780990383	CEOMJZFFKSZJON-SECBINFHSA-N	301.778	1.961	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H]1CCC[C@H](C(N)=O)C1	787220448	ALNSMDZTOOPRNS-QWRGUYRKSA-N	319.361	1.208	50	20	DDGD	
CC[C@]1(C)CN(CC(=O)NNC(=O)c2ccc(C)cc2)CCO1	785493345	RTBZPHAJDASEKB-QGZVFWFLSA-N	319.405	1.257	50	20	DDGD	
CCNC(=O)CC(=O)NNC(=O)c1cc2c(s1)CCCCC2	780853510	BGZVKUSIGUYIRY-UHFFFAOYSA-N	323.418	1.304	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)NCc2ccc(Cl)cc2)CO1	784150431	QJURMRUVDZNFBE-KOLCDFICSA-N	311.769	1.595	50	20	DDGD	
COCC(=O)NN=C(C)c1cc(Br)cc(F)c1O	783853885	GWMRCXVVYPSHIM-UHFFFAOYSA-N	319.130	1.780	50	20	DDGD	
CO[C@]1(C(=O)NNC(=O)c2cccc(Cl)n2)CCSC1	898783834	NBVCTMWWTUQSFV-GFCCVEGCSA-N	315.782	1.018	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H](C)CCC(=O)OC(C)C	792304143	LCLRINXYLYXIMD-NSHDSACASA-N	301.387	1.483	50	20	DDGD	
O=C(Cc1ncccc1F)NNC(=O)c1ccc2ccccc2n1	792004030	FNBLZBNYWGUZCD-UHFFFAOYSA-N	324.315	1.773	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)Cc1ccccc1)NC1CCCCC1	792796427	BRSSHNFHRTVRSC-AWEZNQCLSA-N	305.378	1.253	50	20	DDGD	
CC[C@H](C)CC[C@H](O)CC(=O)NNc1nc2ccccn2n1	793955435	QVFSBKNXPZILAY-RYUDHWBXSA-N	305.382	1.750	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)OC	790115156	ZECFKFGSCNKUOU-CQCMJFKXSA-N	322.405	1.549	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)c2cccc(C)n2)c(F)c1	794599089	BQRPFLRJBUXJDO-UHFFFAOYSA-N	323.349	1.461	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2nn[nH]c2-c2ccccc2)n1	794566665	XOWPXMPEBWYKCI-UHFFFAOYSA-N	306.329	1.939	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccnn1C1CCCC1	798314075	WBOGKKIFNVEZSR-UHFFFAOYSA-N	319.287	1.505	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCOCC(F)(F)C(F)F	790510125	VKPHDBUTASGHOE-UHFFFAOYSA-N	317.283	1.424	50	20	DDGD	
COc1cc(C)cnc1C(=O)NNC(=O)c1ccc(C#N)cc1	792596275	FNTHVSDGDDHDKD-UHFFFAOYSA-N	310.313	1.345	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccc(N2CCCC2)cc1	1317850312	HDACNWBEUNYQKV-UHFFFAOYSA-N	302.378	1.262	50	20	DDGD	
CCc1cncc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)c1	1321142973	GGZMIGQTSRBIIK-UHFFFAOYSA-N	313.361	1.321	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cnc(C2CC2)[nH]1	1325910692	LLQLBQXHDPMLCU-UHFFFAOYSA-N	314.345	1.299	50	20	DDGD	
CCC(=NNC(=O)c1n[nH]c2c1CCCC2)c1cnn(C)c1	1322058782	NSGDUYFRTUGZQZ-UHFFFAOYSA-N	300.366	1.566	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H]2CCN3CCC[C@@H]3C2)c1	1329978843	LJJZDLNHBJWKOA-NWDGAFQWSA-N	322.434	1.627	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)NC/C=C/C2CC2)c1	1328211591	CLGJKQYZZCUACU-ONEGZZNKSA-N	317.389	1.979	50	20	DDGD	
CN(C)c1ncccc1C=NNC(=O)COc1ccc(C#N)cc1	1323391587	QRWWUHCFUSIWDO-UHFFFAOYSA-N	323.356	1.548	50	20	DDGD	
O=C(CCl)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1	1253963278	MMEQUQFHXCMEPD-ZDUSSCGKSA-N	310.781	1.450	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C[C@H](n1cccn1)C(F)(F)F	1333766161	FLNYLJQJDLPPOX-QMMMGPOBSA-N	323.344	1.280	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)/C=C/c1ccc2c(c1)NC(=O)CO2	1337063006	UQDLNUGKRUYICY-FNORWQNLSA-N	317.345	1.224	50	20	DDGD	
COCCC[C@H](C)C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1337380802	KUEKPZVFNIJXKW-JTQLQIEISA-N	308.382	1.112	50	20	DDGD	
CSCC1(CC(=O)NNC(=O)c2n[nH]c3c2CCCC3)CC1	1332571756	DOEOYVITSLCTFW-UHFFFAOYSA-N	322.434	1.583	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H]1CC(c2ccccc2)=NO1	1337468657	QOUMZMXGJYUYFA-LBPRGKRZSA-N	306.391	1.083	50	20	DDGD	
Cc1nc([C@H](C)NC(=O)NNc2ccc([N+](=O)[O-])cc2F)no1	1261660811	WZOVXIUSLXSTPN-LURJTMIESA-N	324.272	1.813	50	20	DDGD	
Cc1cccnc1[C@H](C)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	1342126168	VOCODFAQEOKRSB-TUAOUCFPSA-N	306.366	1.206	50	20	DDGD	
Cc1c(CC(=O)OC[C@@]2(C)C[C@@H]2Br)cnn1C	1263537778	XUPGCIFECGHWPO-CMPLNLGQSA-N	301.184	1.988	50	20	DDGD	
CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NNc1cccnn1	1342263427	QECCEUHFDPUUGF-VQNWOSHQSA-N	321.406	1.178	50	20	DDGD	
O=C(c1cccc(CCl)c1)N1CC[C@H](N2CC[C@H](O)C2)C1	1353690506	VADCRLGHIIPOMV-GJZGRUSLSA-N	308.809	1.707	50	20	DDGD	
C[C@@H](NNC(=O)[C@@H]1CCCN(CC(F)F)C1)C(F)(F)F	1351998032	FBMOOJVIOXZSMK-HTQZYQBOSA-N	303.275	1.535	50	20	DDGD	
C[C@@](CO)(NC(=O)CCCC[C@@H]1CCSS1)C(=O)O	1604190395	HAMQCVPBMBTZPF-SKDRFNHKSA-N	307.437	1.652	50	20	DDGD	
CC(C)(C)n1ccc(C(=O)NNc2ncccc2C(=O)O)n1	1602928334	SIEBJGGBLDYSJW-UHFFFAOYSA-N	303.322	1.488	50	20	DDGD	
CCN1C(=O)C[C@H](C(=O)N2CC=C(C#N)CC2)[C@H]1c1cccnc1	1466141543	XSYIOBMIWOJDFS-DOTOQJQBSA-N	324.384	1.673	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cnn3c2CCCC3)nc1	1602384658	UCLVBZLKLJBRLN-UHFFFAOYSA-N	301.306	1.070	50	20	DDGD	
Cc1c(NC(=O)NNc2ncncc2F)ccc(F)c1C(=O)O	1600044528	PYSQIKIYKCFLDQ-UHFFFAOYSA-N	323.259	1.910	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)Nc1ccc(C(=O)O)s1	1601555449	BQMJRZQKLLTYDA-UHFFFAOYSA-N	324.293	1.447	50	20	DDGD	
O=C(NCCOC1CCCC1)NNc1cccc(C(=O)O)c1	1608447789	DCGZWTWXCNMKQF-UHFFFAOYSA-N	307.350	1.970	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccsc2C(=O)O)n1	1600512442	PIEDINQIOFFRNP-UHFFFAOYSA-N	305.315	1.225	50	20	DDGD	
CC(=NNC(=O)C1CC1)c1ccc(-c2nn[nH]n2)cc1Cl	1602906999	RKQAACUDGDXOFH-UHFFFAOYSA-N	304.741	1.770	50	20	DDGD	
Cc1nc(N)nc(C)c1C(=O)NNc1ccc(C(=O)O)cc1F	1600709387	LIIJURMOEUUGHN-UHFFFAOYSA-N	319.296	1.270	50	20	DDGD	
O=C(O)Cc1ccccc1CNC(=O)NNC(=O)C1CCCC1	1608789428	FZKHFIJMAHPNGH-UHFFFAOYSA-N	319.361	1.334	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)Nc1cc(C(=O)O)c(F)cc1F	1610700864	WGELPUYUWCXIDD-UHFFFAOYSA-N	308.244	1.629	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@H]2CCCO[C@H]2c2nccn2C)CCO1	1549311604	STGPELQHVJWLLX-KWCYVHTRSA-N	320.393	1.559	50	20	DDGD	
Cc1n[nH]cc1C=NNC(=O)[C@H]1CCCO[C@@H]1c1nccn1C	1549309618	PAGHJZCBGLXMBE-STQMWFEESA-N	316.365	1.070	50	20	DDGD	
CC(C)(C)N1CCC(=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)CC1	1549317970	OAAHRKRDIHWKSR-LSDHHAIUSA-N	322.453	1.216	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2=CCCNCC2)c1C	1578877560	BQPFSOVCFUUTOV-UHFFFAOYSA-N	303.362	1.535	50	20	DDGD	
NOCCCNC(=O)[C@@]1(c2ccccc2)C[C@@H]1Br	1580359189	ORONCKGEULMCRK-WCQYABFASA-N	313.195	1.488	50	20	DDGD	
N#C[C@H]1CNCC12CC(C(=O)NNc1cc(F)ccc1F)C2	1580042919	DOYZRWJVKZHCCL-VOZQYIJBSA-N	306.316	1.547	50	20	DDGD	
NC[C@H](C(=O)NNc1nc2cccnc2s1)c1ccccc1	1580215251	GDVSPBOJXUBUAR-NSHDSACASA-N	313.386	1.877	50	20	DDGD	
CC(C)(C(=O)NN=c1cc[nH]cc1)c1ccc(-c2nn[nH]n2)cc1	1589054583	KMZSTKRJPCGFTJ-UHFFFAOYSA-N	323.360	1.105	50	20	DDGD	
O=C(C[C@H]1CNc2ccccc21)NNC(=O)NC1CCCC1	1580518336	ZTGSEHSTMHKVRE-NSHDSACASA-N	302.378	1.859	50	20	DDGD	
C/C=C/C(=O)N1CC2(CCCN2C(=O)[C@H](Cl)COC)C1	1846364261	HEHUSGYEXOWJLZ-JOAKQRRISA-N	300.786	1.020	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)c1cccc(-c2nn[nH]n2)c1	1593161483	XPWYNIROZIKOTG-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2ccc(CC(=O)O)cc2)[C@@H](C)O1	1594257483	GWTXUSSYUOJITN-BREBYQMCSA-N	307.350	1.506	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NNc1ccc(-c2nn[nH]n2)cc1	1590163581	JPWKHHTWVVCHMN-ONGXEEELSA-N	314.349	1.315	50	20	DDGD	
C[C@H]1CC(=NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)[C@@H]1C	1590180766	JBJJNYJHBZIHPR-VHSXEESVSA-N	314.349	1.394	50	20	DDGD	
COC1([C@@H](C)NC(=O)NNc2ccc(CC(=O)O)cc2)CCC1	1599083937	RGWWNKJHMXNYQE-LLVKDONJSA-N	321.377	1.897	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=Cc2noc3c2COCC3)c1	1776096175	OGTQOQNRWGVESC-UHFFFAOYSA-N	315.285	1.209	50	20	DDGD	
Cn1cc([N+](=O)[O-])cc1C(=O)NNC(=O)c1cccc(Cl)c1	16305813	RLCUTYVPFWYQCQ-UHFFFAOYSA-N	322.708	1.662	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](Cc2ccccc2)C(C)C)[nH]n1	151178751	HNBRUOYITGENNW-CQSZACIVSA-N	314.389	1.994	50	20	DDGD	
CN1CCO[C@@H](C(=O)NNc2cccc(Br)c2)C1	152063801	KZYSPFUWBUUZCN-LLVKDONJSA-N	314.183	1.223	50	20	DDGD	
COc1cccc2cc(C(=O)NNC(=O)c3cc(C)n[nH]3)oc12	153276993	MYLFHIAJEQZKBR-UHFFFAOYSA-N	314.301	1.548	50	20	DDGD	
CC[C@@H](OC1CCCCC1)C(=O)NNC(=O)c1cccnc1	155563217	CWIDGMODSRYYCR-CQSZACIVSA-N	305.378	1.971	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2ccccc2O)n1	155807180	ICGGPRAXXAPLLB-UHFFFAOYSA-N	301.350	1.785	50	20	DDGD	
C[C@H](Cc1cccc(F)c1)C(=O)NNc1ccc(C(N)=O)nn1	154278467	GHVURSHCXPMOTE-SECBINFHSA-N	317.324	1.037	50	20	DDGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCCCN1	159849114	YLBPEJORFXGYAE-NSHDSACASA-N	321.768	1.975	50	20	DDGD	
NS(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(CCl)c2)C1	707512971	ZSCIAHFWFLFNMA-GFCCVEGCSA-N	316.810	1.319	50	20	DDGD	
CN(C[C@H]1CCN1C(=O)OC(C)(C)C)S(=O)(=O)CCl	907444037	UTMHPHOZUPNOFQ-SECBINFHSA-N	312.819	1.454	50	20	DDGD	
Cn1cncc1CNS(=O)(=O)c1ccc(CCCl)cc1	384231328	GJLDUUHLKSVERD-UHFFFAOYSA-N	313.810	1.680	50	20	DDGD	
C[C@H](CN(C)NC(=O)OCc1ccccc1)S(C)(=O)=O	859386557	UKIHVYOHMPINNP-LLVKDONJSA-N	300.380	1.193	50	20	DDGD	
O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)[C@H](F)Cl	2088604872	BTMVCGFPEGDBLP-OLZOCXBDSA-N	318.751	1.850	50	20	DDGD	
O=C(NNC(=S)NC1CC1)c1cc(Br)c[nH]1	7378136	MILQQMXSZKQQKO-UHFFFAOYSA-N	303.185	1.049	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)COc2ccccc2F)c1	7593734	MWBFMXKMYTYDLN-UHFFFAOYSA-N	318.304	1.674	50	20	DDGD	
Cc1nc(CC(=O)NNC(=S)NCc2ccccc2)cs1	7640239	APWOUAQSXNCNIO-UHFFFAOYSA-N	320.443	1.690	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)CCCOc1ccccc1C	109832080	HRDGRTCYRJDHFZ-CQSZACIVSA-N	321.421	1.642	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCc1cnn(C)c1	54812462	MERHNCTWRHTYSC-UHFFFAOYSA-N	302.338	1.264	50	20	DDGD	
Cn1cc(C(=O)NNc2nc(-c3ccccc3)no2)ccc1=O	102790330	OJIZIUDUUPRVMO-UHFFFAOYSA-N	311.301	1.192	50	20	DDGD	
C=CCCOCCNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	179492395	SRVIEUDORNFUJJ-OQLLNIDSSA-N	312.373	1.821	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C2(C#N)CCCC2)cc1	173989065	OIXXXRMSMHOXAQ-UHFFFAOYSA-N	301.346	1.605	50	20	DDGD	
Cc1cccc(NNC(=O)c2cccc(CS(N)(=O)=O)c2)c1	171774001	UXBVJAOSALMUSK-UHFFFAOYSA-N	319.386	1.540	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)N1CCSCC1	104819453	WMPBISKPGVCGBR-UHFFFAOYSA-N	318.402	1.431	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cnc(C)cn2)cc1	55700320	XSEIQALWYVCLOU-UHFFFAOYSA-N	314.345	1.187	50	20	DDGD	
CC[C@@H](C)C(=O)NNc1nc(Br)cn2ccnc12	176189963	SZLSGYSQMCHTHJ-SSDOTTSWSA-N	312.171	1.981	50	20	DDGD	
CC(C)CCOC1CCN(CC(=O)NNC(=O)C2CC2)CC1	112977101	NYOOVUSBLSQAKJ-UHFFFAOYSA-N	311.426	1.071	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)c2cccn2C)cc1OC	60792858	HGFJOOFXMGTSDZ-UHFFFAOYSA-N	317.345	1.507	50	20	DDGD	
CCN1CCC[C@H]1CNC(=O)NNc1ncnc2ccsc12	119088638	JENBWXKGRMUFGG-JTQLQIEISA-N	320.422	1.802	50	20	DDGD	
Cc1ccncc1NC(=O)C(=O)NNc1ccc([N+](=O)[O-])cc1	119127701	LVPHKVXFBYXILI-UHFFFAOYSA-N	315.289	1.380	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)NCC1CCCC1	60971461	UEJAZYOMOWROKQ-UHFFFAOYSA-N	305.378	1.976	50	20	DDGD	
CNC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2ccncc2)cc1	179512778	JOHUWDVZCJYYCY-GXDHUFHOSA-N	306.325	1.987	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F	112855242	VPKIKWBDNDKUDZ-NWDGAFQWSA-N	319.311	1.868	50	20	DDGD	
CCCCNC(=O)NNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	64426369	CGIDNFWXNLHPQA-RMKNXTFCSA-N	306.322	1.739	50	20	DDGD	
O=C(CCN1C(=O)CCC1=O)NNc1cc(F)c(F)c(F)c1	175478968	BASIXGSAFGTRBW-UHFFFAOYSA-N	315.251	1.086	50	20	DDGD	
C[C@H]1CC[C@H](CCC(=O)NNC(=O)c2ccc(C#N)cc2)O1	175791276	IFGBXBNZDWFHKT-SMDDNHRTSA-N	301.346	1.667	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccccc2F)c1O	60783501	KIRZSJQBLCHVHD-UHFFFAOYSA-N	304.277	1.615	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CNC(=O)CCC(C)C	67105879	YEUPGOSVKUMYAW-UHFFFAOYSA-N	305.378	1.308	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2oc(C)nc2C)cc1	173626732	PKKKWMBKLBQYTB-UHFFFAOYSA-N	303.318	1.440	50	20	DDGD	
CCCCNC(=O)NNC(=O)/C(=C\c1ccccc1)NC(C)=O	64425992	PYCMWQGAESXHIB-SDNWHVSQSA-N	318.377	1.294	50	20	DDGD	
CC(=O)N/C(=C/c1ccccc1)C(=O)NNC(=O)c1ccccn1	213599509	NJKYQAJHDDZBQP-RVDMUPIBSA-N	324.340	1.020	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)C1=CCCCC1	124536286	ZVCHOYXTFVRTKC-CQSZACIVSA-N	302.330	1.474	50	20	DDGD	
Cn1c(NNC(=O)COC(C)(C)C)nc2ccccc2c1=O	181822657	KLSCQVIDXXMLSW-UHFFFAOYSA-N	304.350	1.192	50	20	DDGD	
C[C@@H]1CC[C@H](NCC(=O)NNC(=O)c2ccccc2)[C@H](C)C1	187608043	YPFDYJZBGJYLAX-NFAWXSAZSA-N	303.406	1.862	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2ccccc2C)nc1	124286341	VQOVPTUHFWJLEA-UHFFFAOYSA-N	300.318	1.480	50	20	DDGD	
CCOCc1cccc(NC(=O)NNC(=O)Cc2cc[nH]n2)c1	184751538	ZENQVSVJPFBNGD-UHFFFAOYSA-N	317.349	1.342	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)CC[C@H]2CCOC2)c1	181146086	HQMBORWXAYLWRG-NSHDSACASA-N	312.391	1.350	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C\c1ccc(O[C@@H](C)C(=O)OC)cc1	123365744	KUPIOIJJYWYXQI-GVIGZQTCSA-N	314.341	1.836	50	20	DDGD	
Cc1c(/C=C/C(=O)NNC(=S)N[C@H](C)C2CC2)cnn1C	120641084	LZNBAMMUGBTMAM-XCODYQFDSA-N	307.423	1.036	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ncccc2C)cc1	122871434	BKGXWAPSGXJPOM-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1cc(F)c(F)c(F)c1	186046123	WRZFLWAGMNNQOR-UHFFFAOYSA-N	310.235	1.965	50	20	DDGD	
CNC(=O)CCCC(=O)NNc1ccccc1OC(F)(F)F	189199366	VYZPPOXUAZBLEZ-UHFFFAOYSA-N	319.283	1.945	50	20	DDGD	
CCNC(=O)NNC(=O)c1cccc(Nc2ccc(C)nn2)c1	134688272	KXMKIVXULFLIMU-UHFFFAOYSA-N	314.349	1.493	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n1	134582379	NGOVGAUVKJISGQ-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)OC[C@H]2CCCCO2)o1	84380430	FJCYSINVONCAHO-VXGBXAGGSA-N	310.350	1.323	50	20	DDGD	
CCCCCOCC(=O)NNc1nc2ccccc2c(=O)[nH]1	137242837	GNMMNCOCNJNYMC-UHFFFAOYSA-N	304.350	1.573	50	20	DDGD	
CCn1cc(NC(=O)C(=O)NNc2cc(F)cc(OC)c2)cn1	134381438	WPUPSGASICVTHO-UHFFFAOYSA-N	321.312	1.133	50	20	DDGD	
Cc1nccc(CNC(=O)NNC(=O)CCc2ccccc2)n1	195163897	WYIVZEUEXVKSGQ-UHFFFAOYSA-N	313.361	1.248	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NNC(=O)NCc1ccc(Cl)cc1	191587123	BLANNYFDDFULEZ-PKNBQFBNSA-N	322.752	1.614	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NCC(C(C)C)C(C)C)n1	194371583	ZFQXVXOPTOOXCB-UHFFFAOYSA-N	323.441	1.759	50	20	DDGD	
CCCNC(=O)CNC(=O)/C(C#N)=C\c1ccc(OCC)cc1	192903154	YGUAKPVJZBVHBM-UVTDQMKNSA-N	315.373	1.635	50	20	DDGD	
COc1cc(F)cc(CNC(=O)NNC(=O)c2ccc(C)o2)c1	94058402	ANRVLWIGRPOTAE-UHFFFAOYSA-N	321.308	1.880	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]12	268472462	GONABSFSBGVKMI-RBSFLKMASA-N	317.389	1.897	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cc(O)nc2cc(F)ccc12	265822111	RHAUMLAJIGKAHS-UHFFFAOYSA-N	305.309	1.887	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)c1ccc2c(c1)OCCO2	266286753	XMIQWUKSGFUUGB-UHFFFAOYSA-N	320.345	1.202	50	20	DDGD	
COC(=O)[C@@]1(F)CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C1	278981659	DQFDJMUXEAZJDK-IYCSXQJISA-N	318.304	1.413	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1C1CC1)c1cccc2ncccc12	279058181	PXXHJYICNMPBRA-MRXNPFEDSA-N	324.384	1.623	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CC[C@H]([C@@H]3CCOC3)C2)n1	366874610	VPUMEAUXJIROGQ-QWHCGFSZSA-N	318.377	1.103	50	20	DDGD	
COc1cc(C(=O)NNC(=O)OC(C)(C)C)cc(OC)c1O	270649224	QAOIEJGXKXRFQH-UHFFFAOYSA-N	312.322	1.579	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C2(COC)CCOCC2)cc1	368130926	HQDJNUGYPPHJSY-UHFFFAOYSA-N	320.389	1.453	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)[C@@H]1CCCN1C	270680747	UPQXYBZEJMQPOI-NSHDSACASA-N	323.418	1.029	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2(C#N)CCOCC2)c1	272530304	BIBXHRMLZDNING-UHFFFAOYSA-N	303.318	1.237	50	20	DDGD	
C=C(C)[C@H](CC(=O)NNC(=O)Cc1ccccc1OC)OCC	270137522	HXSPEJAGFJFVMX-HNNXBMFYSA-N	320.389	1.756	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc2c(cc1Cl)OCO2	277125105	OVUMWJSRXSBVLN-UHFFFAOYSA-N	314.729	1.767	50	20	DDGD	
C=C(C)[C@@H](CC(=O)NNC(=S)NCCSC)OCC	271385573	IDMIRQJZAHZKPD-SNVBAGLBSA-N	305.469	1.216	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(SC)cc1	276243901	QSRJXVJTMNXULD-UHFFFAOYSA-N	310.379	1.040	50	20	DDGD	
O=C(NC[C@H]1CCCCN1C1CC1)NNc1cncc(Cl)n1	277580803	LXYAFKNBUXYJHN-LLVKDONJSA-N	324.816	1.773	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C	371102889	YDTGHXULIXXFGO-HBNTYKKESA-N	313.398	1.929	50	20	DDGD	
C[C@]1(C(=O)NNc2ncccc2F)Cc2ccccc2C(=O)O1	375924610	KLIIKUUGOBLXRG-MRXNPFEDSA-N	315.304	1.836	50	20	DDGD	
CN(C)C(=O)NNC(=O)C(C)(C)Cc1nc2ccccc2[nH]1	281668442	QQDOGVVCSZPCDY-UHFFFAOYSA-N	303.366	1.434	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)CSc1ccccc1O)C1CC1	281691562	VFBZEPYHSFYZLO-CYBMUJFWSA-N	310.375	1.057	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)COCc1ncc(C)o1	803032089	KGYMOWCBZNRULB-UHFFFAOYSA-N	319.317	1.430	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1cnc2ccccc2c1	800834281	SPRZRXVAUZYUBV-UHFFFAOYSA-N	308.363	1.137	50	20	DDGD	
CCC[C@H](CC)NC(=O)NNC(=O)COc1ccccc1OC	299374957	NJAXCYNYPGXYPM-LBPRGKRZSA-N	323.393	1.983	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccc[nH]1)[C@H]1OCCc2sccc21	292127954	CONFNQLTXDYMDU-TVQRCGJNSA-N	319.386	1.787	50	20	DDGD	
NC(=O)c1cc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)c[nH]1	802016331	WHEBWICWVJNXCG-UHFFFAOYSA-N	321.724	1.234	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802100730	ZMRDLRNUBJGWRE-UHFFFAOYSA-N	316.317	1.529	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CN2CCC(C)CC2)cc1	802052942	XUTLGVDQAVASLH-UHFFFAOYSA-N	320.393	1.580	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)C2(c3ccccc3)CCC2)O1	293954128	QKULTADXFZZJBQ-JSGCOSHPSA-N	302.374	1.823	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)COC[C@@H]2CCCO2)cc1	802062868	TYXIQHMYOVHNGP-ZDUSSCGKSA-N	323.349	1.044	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1	294448740	PWMALUYSRUXMFL-CYBMUJFWSA-N	313.304	1.067	50	20	DDGD	
Cn1cncc1CC(=O)NNc1ncc(Cl)cc1Cl	807269029	XZNVPHAAJHKQKX-UHFFFAOYSA-N	300.149	1.808	50	20	DDGD	
CCn1ccnc1C(=O)NNC(=O)C(C)(C)c1ccccc1	291550869	QDCMLEDVRODMGG-UHFFFAOYSA-N	300.362	1.642	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCc1ccc2c[nH]nc2c1	807242909	SXDMBBRMFNKTAY-UHFFFAOYSA-N	317.393	1.872	50	20	DDGD	
CCC[C@@H](C(=O)NNC(=O)Cc1cccnc1)c1ccccn1	806793590	MEFWFGDETLNHGF-CQSZACIVSA-N	312.373	1.750	50	20	DDGD	
CO[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CC=C(C#N)CC1	291425354	KZHGOGKVBQLAGX-GFCCVEGCSA-N	309.366	1.208	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C[C@@H]1CC[C@H](C)C1	807369767	JNUCOZPYPXZZGV-NWDGAFQWSA-N	300.399	1.749	50	20	DDGD	
CN(C)C(=O)NNC(=O)C1(Cc2cccc(F)c2)CCOCC1	292549408	ATEPARGYAIMMTB-UHFFFAOYSA-N	323.368	1.467	50	20	DDGD	
CCn1ccnc1C(=O)NNC(=O)NCc1ccc(Cl)cc1	813532521	WXTRTJYWQRIPGW-UHFFFAOYSA-N	321.768	1.701	50	20	DDGD	
CN1CCO[C@H](C(=O)NNc2cc(Cl)nc(Cl)c2)C1	819743324	NOLLTPHBCWXAGT-QMMMGPOBSA-N	305.165	1.162	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1)c1c[nH]nc1C	814767518	ZKBAAPCAVOIZQW-SDDRHHMPSA-N	321.425	1.304	50	20	DDGD	
Cc1nnc(NC(=O)NNC(=O)c2ccc3c(c2)OCO3)s1	726871195	FWNNFBBUDRJEGA-UHFFFAOYSA-N	321.318	1.042	50	20	DDGD	
Nc1c(C(=O)NNC(=O)CC(F)(F)F)cc(F)cc1[N+](=O)[O-]	728207368	NUSIRBOWSBGFSC-UHFFFAOYSA-N	324.190	1.030	50	20	DDGD	
Cc1ncc2n1CC[C@H](C(=O)NNc1ncncc1Cl)C2	811326123	KMZJOGWFVXQWSG-VIFPVBQESA-N	306.757	1.341	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(C(N)=O)cn1	725732397	OSNPHVLMNPRMIH-UHFFFAOYSA-N	317.257	1.317	50	20	DDGD	
C[C@H](CBr)CN[C@@H](C1CC1)[C@@]1(CO)CCCO1	815289816	CKRFLLIJWHVWGW-WXHSDQCUSA-N	306.244	1.927	50	20	DDGD	
O=Cc1c[nH]c(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)c1	815600170	NFBHKJGZTXYOCG-UHFFFAOYSA-N	323.312	1.088	50	20	DDGD	
Cc1cc(C)n2nc(NC(=O)NN(C)c3ccccc3)nc2n1	725855410	TWKSJACLPLMYNX-UHFFFAOYSA-N	311.349	1.914	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)c1ccc(-c2nn[nH]n2)[nH]1	826446205	CZNOTXYOMHBRFE-UHFFFAOYSA-N	323.238	1.369	50	20	DDGD	
CCn1c(NNC(=O)c2cncs2)nc2ccccc2c1=O	823915605	PMOABSKNXQNEQT-UHFFFAOYSA-N	315.358	1.630	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCSC(C)(C)CC1	827273922	KHKQWHMCKGNJEM-QWRGUYRKSA-N	315.439	1.370	50	20	DDGD	
C[C@@H](OCCc1ccccc1)C(=O)NNc1ncc(F)cn1	827472888	KZHHEUKPVXUCNH-LLVKDONJSA-N	304.325	1.707	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H]1CN(c2ccc(F)cc2)C1=O	490878565	ONGKCCODELBUQX-XPSMFNQNSA-N	303.293	1.101	50	20	DDGD	
COc1ccc(C)cc1-n1ccc(C(=O)NN(C)[C@H](C)CO)n1	823966016	XUTSIGCPDSGXPA-GFCCVEGCSA-N	318.377	1.147	50	20	DDGD	
N#CC1=CCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)O)C2)CC1	821320086	JFAKRNCCSAGRPV-OAHLLOKOSA-N	324.340	1.388	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H]1Cc2ccccc2O1)C1CC1	727277273	KIMXYBSAIPHGLF-TVQRCGJNSA-N	305.403	1.284	50	20	DDGD	
CCSc1ccc([N+](=O)[O-])cc1C(=O)NN(C)[C@@H](C)CO	823939939	RRGOPKPDIYMODT-VIFPVBQESA-N	313.379	1.664	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCC1CCC(F)(F)CC1	826720086	CFKNRCQCNJILBN-ONGXEEELSA-N	319.352	1.567	50	20	DDGD	
CC(C[C@@H](C)NC(=O)OC(C)(C)C)=NNC(=O)C(C)(C)O	492635033	NSJDRNCJWNDOBN-SECBINFHSA-N	301.387	1.553	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCc2c(cccc2C(=O)OC)C1	491107820	WRLMUXDCBBFAQT-ACCUITESSA-N	314.341	1.802	50	20	DDGD	
COc1ccc([C@H](C)NCc2ccc(B(O)O)o2)c(C)c1OC	585040228	CMSJMRNVDZFCSJ-NSHDSACASA-N	319.166	1.136	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@@H]2COc3ccccc3C2)cn1	822239361	QNXFMAKSVNAXRL-RABFGMAYSA-N	322.368	1.695	50	20	DDGD	
CN(C)[C@]1(CNC(=O)[C@]2(C)C[C@@H]2Br)CCSC1	906901999	PAFZQJDKERAUFC-WCQGTBRESA-N	321.284	1.713	50	20	DDGD	
OB(O)c1ccc(CNCCc2ccccc2C(F)(F)F)cc1	585018794	SORYKJSALOSBGK-UHFFFAOYSA-N	323.123	1.718	50	20	DDGD	
C[C@@H]1CCCCN1CCCCNC(=O)NNC(=O)C1CCC1	732240823	MDHFXWKRMUGRFP-CYBMUJFWSA-N	310.442	1.772	50	20	DDGD	
CC(=NNC(=O)c1ccnnc1)[C@@H](C)NC(=O)OC(C)(C)C	495994500	UKNWEYRHBKHHTR-SECBINFHSA-N	307.354	1.496	50	20	DDGD	
CC(C)n1ccc(CNC(=O)NNc2ccc(Cl)nn2)n1	739050912	DKGCQXMJQPWOON-UHFFFAOYSA-N	309.761	1.734	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](C)C1CCN(C(=O)OC)CC1	490662378	BDNFKTHTYXBOEU-CDDSVFCYSA-N	309.366	1.413	50	20	DDGD	
CNC(=O)C[C@H](C)NC(=O)NNc1cccc([N+](=O)[O-])c1C	838697127	KEDQOYUFZZKACP-QMMMGPOBSA-N	309.326	1.054	50	20	DDGD	
COCCOc1ccc(F)cc1NCc1ccc(B(O)O)cc1	585013103	LHZHCXMGUYJXDI-UHFFFAOYSA-N	319.141	1.143	50	20	DDGD	
O=C(C[C@@H]1CCc2ccccc2C1)NNC(=O)c1ncon1	832825669	CWLKKZUWUXMYSX-SNVBAGLBSA-N	300.318	1.026	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H](NC(=O)O)C(C)C	737905749	RTLDUGROIPIJOX-NSHDSACASA-N	312.278	1.801	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNc2cnnc3ccccc23)c(O)n1	733811962	OTBNKRFZHHMYQM-UHFFFAOYSA-N	324.344	1.428	50	20	DDGD	
COc1cc(C)ccc1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	831347216	RDEYIYVYYUCKAO-MNOVXSKESA-N	307.350	1.581	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H](C)[C@H]2CN(C)CCO2)cc1	838521473	AJUSQDFWZOKWBS-IUODEOHRSA-N	322.409	1.431	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)C	830545056	CYVANKXKPUNFCR-UHFFFAOYSA-N	308.338	1.086	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC(c2cn[nH]c2)CC1	732199408	NYVYDCUIAASOMO-GFCCVEGCSA-N	321.425	1.171	50	20	DDGD	
C[C@H](Cc1ccsc1)NC(=O)NNC(=O)[C@H]1CCCCO1	836248354	FIJMHTUQXRKYDZ-ZYHUDNBSSA-N	311.407	1.579	50	20	DDGD	
CN(C)c1cccc(CNC(=O)[C@]2(C)C[C@H]2Br)n1	907125172	HVQUTHJSPVJCMJ-ZWNOBZJWSA-N	312.211	1.937	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1cccc2cc[nH]c12	836539695	SJZJSROWPXESFX-GFCCVEGCSA-N	302.334	1.890	50	20	DDGD	
C[C@H]1CCC[C@@H]1NC(=O)NNc1cccc(-c2nn[nH]n2)c1	736265055	YTLCDAWXTUJPBC-CABZTGNLSA-N	301.354	1.681	50	20	DDGD	
CC[C@H](C)[C@H](CNC(=O)NNC(=O)c1cccc(C#N)c1)OC	836276098	DYYSCJAXJPXDMU-FZMZJTMJSA-N	318.377	1.563	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NC[C@H]1CCCC1(C)C	838625292	PKCCYDZYTNEMHE-VXGBXAGGSA-N	315.414	1.195	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1ccc2c(c1)COC2	836487171	ZVSOTELJMCYUBQ-ZDUSSCGKSA-N	305.334	1.439	50	20	DDGD	
CCn1cccc1C=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1	834932205	CJLIOYYRYLBQPD-KFWWJZLASA-N	320.437	1.703	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(Cl)nc1	906238889	QFOJCSPFESWSND-JQWIXIFHSA-N	309.753	1.477	50	20	DDGD	
CC1(C)C[C@@H](CNC(=O)NNC(=O)[C@H]2CCCCO2)CCO1	836676970	OVTHQTZZEDVBIC-NWDGAFQWSA-N	313.398	1.091	50	20	DDGD	
CO[C@H]1CCC[C@H](c2nc(-c3cccc(B(O)O)c3)no2)C1	585052611	RWLHTYSVUANOSE-AAEUAGOBSA-N	302.139	1.089	50	20	DDGD	
CCOCCCNC(=S)NNC(=O)C(C)(C)c1ccccc1	731161260	RWVJIAHIJXHDCJ-UHFFFAOYSA-N	323.462	1.886	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1nc(C2CCC2)cs1	831781515	QWBLEMPXGXEXAD-WPRPVWTQSA-N	324.406	1.988	50	20	DDGD	
O=C(NN=C1C(=O)Nc2cc(O)ccc21)NC1CCCCC1	915941972	FXDKPPUTYZDOHA-UHFFFAOYSA-N	302.334	1.680	50	20	DDGD	
COc1ccc(-c2n[nH]c(CNS(=O)(=O)CCl)n2)cc1	830498763	NGXORRUSWWMEEC-UHFFFAOYSA-N	316.770	1.096	50	20	DDGD	
C[C@H](C(=O)NNc1nccc(N2CCOCC2)n1)C1CCC1	839704403	SFKKVHRCSMPVAN-NSHDSACASA-N	305.382	1.193	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(F)c(F)c1)c1nnc2n1CCC2	917458760	SJLGKWCCMXUPJG-QMMMGPOBSA-N	322.319	1.890	50	20	DDGD	
C[C@H](N)C[C@H](C)NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	831197409	NLRVMPJJUAKECW-YPUXRLJUSA-N	322.453	1.659	50	20	DDGD	
Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NNc1ccccc1	747987972	OUMDDOFRTCJLMS-UHFFFAOYSA-N	309.347	1.301	50	20	DDGD	
CC[C@@H](C)C(=O)NN=C(C)c1ccc(S(=O)(=O)NC)cc1	915973714	DMUPLFPOXVDETE-SNVBAGLBSA-N	311.407	1.481	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)COc2ccccc2F)o1	915944480	QLYLVPSXEPQCDX-UHFFFAOYSA-N	320.276	1.734	50	20	DDGD	
O=C(NCC[C@]1(O)CCCOC1)NNc1cc(Cl)ccn1	846725039	KEVBPBOMLZCMAR-CYBMUJFWSA-N	314.773	1.293	50	20	DDGD	
CN(CC(=O)NNC(=O)C(C)(C)C)[C@@H]1CCc2ccccc2C1	744403852	XLOLQMJTVOMMDN-OAHLLOKOSA-N	317.433	1.669	50	20	DDGD	
CC(C)=CCOc1cccc(CC(=O)NNc2nc[nH]n2)c1	842266451	AOIOXBYOUIHKQM-UHFFFAOYSA-N	301.350	1.836	50	20	DDGD	
COc1ccccc1C=NNC(=O)[C@H](C)CN1CCOCC1	916362283	IWZPPDDJBHHBBN-CYBMUJFWSA-N	305.378	1.114	50	20	DDGD	
CC(=O)Nc1ccccc1CNC(=O)NNC(=O)CC(C)C	743643175	WDSXPXXCUGWAOJ-UHFFFAOYSA-N	306.366	1.522	50	20	DDGD	
CCCNCCNC(=O)NNC(=O)Nc1cc(F)cc(F)c1	841960696	FDTIVVILCUTSEG-UHFFFAOYSA-N	315.324	1.300	50	20	DDGD	
CCOc1ccc(CC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	843649518	WIESEKVZOHJUBC-RISCZKNCSA-N	306.362	1.200	50	20	DDGD	
O=C(NN=C1CCCS(=O)(=O)C1)c1cc2ccccc2o1	749823576	MFGQPQQUNFJCDE-UHFFFAOYSA-N	306.343	1.727	50	20	DDGD	
O=C(Cc1ccc2c(c1)OCCO2)NNC(=O)CC(F)(F)F	918364169	KINLLUDTKFYDBS-UHFFFAOYSA-N	318.251	1.100	50	20	DDGD	
Cc1cc(N)cc(CNC(=O)NNc2nc(C)cc(C)n2)c1	842007780	SXWLIAHXXGUAOL-UHFFFAOYSA-N	300.366	1.810	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cc(Br)c[nH]1	842550029	USZVLGZLVLMHKP-XVKPBYJWSA-N	300.156	1.652	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)NCCN1C(=O)CCC1=O	918638250	OIJWUZOZWPNKTF-UHFFFAOYSA-N	324.768	1.424	50	20	DDGD	
O=C(NCc1nnc2n1CCC2)NNc1ccc(F)c(F)c1	913979678	WNVGSAMIDQAQJN-UHFFFAOYSA-N	308.292	1.329	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)C(=O)N2CCCC2)C12CCCC2	743435909	BXTMBTBZSNFIJX-CYBMUJFWSA-N	307.394	1.450	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccc[nH]1	749873185	BTOUXTKKZYPVGU-UHFFFAOYSA-N	308.681	1.651	50	20	DDGD	
C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)NNC(=O)c1ncccn1	841592341	OPIHKZSTAOHSFX-VXGBXAGGSA-N	319.409	1.978	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1	748688776	DSDUCYWBPGAQDS-UHFFFAOYSA-N	310.297	1.733	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CCN[C@@H](C)C2)c1F	841990275	ZDKRTFBNHWVFNQ-VHSXEESVSA-N	324.356	1.379	50	20	DDGD	
Cc1c(CCC(=O)NNc2nc3ccccc3n2C)cnn1C	848380134	ZIGLFEMRNRRXDY-UHFFFAOYSA-N	312.377	1.691	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@H]1CS[C@@H](C)C1	840420177	QZMDIHGTZTVSPL-WCQYABFASA-N	307.419	1.762	50	20	DDGD	
O=C(NCC1CNC1)NNc1nc(Cl)c(Cl)cc1Cl	841964637	KFZGUBHIKUQNHY-UHFFFAOYSA-N	324.599	1.887	50	20	DDGD	
CO[C@@H]1COC[C@@H]1NC(=O)NNc1cc(C(F)(F)F)ccn1	841591496	ZRKRQSREBQNREM-DTWKUNHWSA-N	320.271	1.140	50	20	DDGD	
CC[C@@H](C)[C@H](N)C(=O)NNc1ncc(Br)cn1	848436565	WPWVMJQFWIZPGX-SVRRBLITSA-N	302.176	1.056	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1ccc(OC)cc1	843663434	XJLLYRMYAIWGKY-CQDKDKBSSA-N	320.389	1.761	50	20	DDGD	
C[C@H](N)CNC(=O)NNC(=O)c1c(Cl)cccc1Cl	841988478	RQZLZWMPDUEXKD-LURJTMIESA-N	305.165	1.285	50	20	DDGD	
Cc1ccc(C=NNC(=O)C(=O)NC2CC2)c(Br)c1	753694870	KETDSFWGKLBRAF-UHFFFAOYSA-N	324.178	1.486	50	20	DDGD	
CSc1nsc(NC(=O)NNC(=O)Cc2cccnc2)n1	757585732	ASZCZLYXPLNNRX-UHFFFAOYSA-N	324.391	1.050	50	20	DDGD	
COc1cccc(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1C	852394540	UNYHHJQIPKDMJP-AAEUAGOBSA-N	321.377	1.259	50	20	DDGD	
COCc1ccc(C(=O)NNc2ccc(C(=O)OC)cn2)cc1	759730271	GKRLXCZYDZICPE-UHFFFAOYSA-N	315.329	1.772	50	20	DDGD	
CC(C)(F)CCNC(=O)NNC(=O)CCOc1ccccc1	852029713	PBIRCXXAFMMTEH-UHFFFAOYSA-N	311.357	1.924	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1[nH]c(C)c(C(C)=O)c1C(C)C	854923297	QLLJXNXEUZPACI-UHFFFAOYSA-N	310.423	1.730	50	20	DDGD	
CCON1CCC(CC(=O)NNC(=O)c2cccc(F)n2)CC1	856427720	CVMFWSKGCLVOLF-UHFFFAOYSA-N	324.356	1.035	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)Cn2cc(C3CC3)cn2)n1	854957083	RVJZTJVIDURTLL-UHFFFAOYSA-N	306.757	1.656	50	20	DDGD	
CN(CCNC(=O)NNC(=O)c1cccc(F)n1)C1CCCC1	852068443	PSRVMDRMGOPNOY-UHFFFAOYSA-N	323.372	1.039	50	20	DDGD	
CN(C)CCCNC(=S)NC[C@]1(C)C[C@@H]1Br	857204485	SNDMVHAONTZONV-ONGXEEELSA-N	308.289	1.576	50	20	DDGD	
O=C(NN=C[C@@H]1CC1(Cl)Cl)[C@@H]1CN2CCC[C@@H]2CO1	853391853	YNUUTBHAENVROP-AEJSXWLSSA-N	306.193	1.145	50	20	DDGD	
CO[C@H](C=NNC(=O)CSc1nc(C)cc(C)n1)C1CC1	853262010	CDKHULJIDFIKTE-GFCCVEGCSA-N	308.407	1.713	50	20	DDGD	
COC[C@H](CNC(=O)NC[C@@]1(C)C[C@@H]1Br)OC	856883029	CRPBMWHLGUHCPJ-ATZCPNFKSA-N	309.204	1.121	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC2COC(C)(C)OC2)cc1	758725890	KPIQJCIIYAANJJ-UHFFFAOYSA-N	321.377	1.345	50	20	DDGD	
O=C(NC[C@@H]1CCCN(CC2CC2)C1)NNC(=O)C1CCCC1	852278789	BGPOIDGCTURGRV-AWEZNQCLSA-N	322.453	1.629	50	20	DDGD	
Cn1cnnc1SCC(=O)NC[C@]1(C)C[C@@H]1Br	857735152	XTBCIXYPGWOTOC-XVKPBYJWSA-N	319.228	1.197	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)/C=C/c1ccc(O)cc1	854386202	LTAXAUACIGKSJP-DHZHZOJOSA-N	322.361	1.342	50	20	DDGD	
CC(CCc1ccc2c(c1)OCO2)=NNC(=O)c1cc[nH]n1	853393177	WYOVMNIYPWZNMZ-UHFFFAOYSA-N	300.318	1.877	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NC[C@]1(C)C[C@H]1Br	856900868	ZAGQONRBQKWKDB-PELKAZGASA-N	320.231	1.927	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2CCn3cncc3C2)cccc1[N+](=O)[O-]	750923179	FFNKQRWMYBMHGZ-LLVKDONJSA-N	315.333	1.805	50	20	DDGD	
O=C(NN=Cc1ccc2ncccc2c1)C(=O)Nc1ccccn1	758387197	HLMXEXDTCXVNOB-UHFFFAOYSA-N	319.324	1.719	50	20	DDGD	
C[C@@](O)(CC(=O)NNc1ccccc1S(C)(=O)=O)C1CC1	756003452	RMSAYAFWJBEBFE-CQSZACIVSA-N	312.391	1.084	50	20	DDGD	
CCOC(=O)NCC(=O)OC[C@H](CBr)C1CC1	859663352	NLLYOAYMIKBKDV-VIFPVBQESA-N	308.172	1.697	50	20	DDGD	
CC1=NO[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2Cl)C1	854248096	NSDDVJHSSUIQDS-SNVBAGLBSA-N	316.144	1.919	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2cccc(Cl)n2)CCCC1	857325307	WAZFYZXIMMIPOV-UHFFFAOYSA-N	311.769	1.703	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C)C(F)(F)F	853377364	ORMFTDXEQBNIOC-MWLCHTKSSA-N	318.299	1.942	50	20	DDGD	
Cc1cc(O)cc2c1C(=O)C(=NNC(=O)OCC(F)(F)F)O2	853431003	TXMXEIMBTJYLQY-UHFFFAOYSA-N	318.207	1.878	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N(C)CC(C)(C)OC	758871437	FPKKSLWWZKXLOG-UHFFFAOYSA-N	309.366	1.406	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CCc1cc(C)on1	935242705	LGQWUVHYGMKUAE-UHFFFAOYSA-N	303.318	1.846	50	20	DDGD	
C[C@@H](NNC(=O)[C@@H]1COCCN1C1CCCC1)C(F)(F)F	862317324	KMPWCJZWVNTFLH-KOLCDFICSA-N	309.332	1.201	50	20	DDGD	
CCC(=NNC(=O)CS(C)(=O)=O)c1cccc(Cl)c1F	863186654	HACLDDGKGCBBDJ-UHFFFAOYSA-N	320.773	1.754	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NNc1ccc(F)c([N+](=O)[O-])c1	863905825	QFFRUGJFDMEOJE-NXEZZACHSA-N	319.296	1.714	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C2CCOc3c(Cl)cccc32)N1	863150032	LHHCHBNZDNVVPT-LLVKDONJSA-N	307.737	1.221	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NN=C1CCS(=O)CC1	761805189	ONMFBHIOCWZICC-LPOBJOOYSA-N	312.366	1.608	50	20	DDGD	
Cc1oc(-c2cccs2)nc1C(=O)NNC(=O)C(C)(C)O	768259613	MUIVNLSMWOKDJG-UHFFFAOYSA-N	309.347	1.243	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1nc2c(s1)CCCC2	761267418	RYFOCKKJSFHLQI-UHFFFAOYSA-N	303.391	1.909	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2ccn(C)c2)cc1	763138095	PDJYKZCIGBYNNN-UHFFFAOYSA-N	303.387	1.887	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)C1Cc2ccccc2C1	761678985	ULEHDZVPTQZCJA-UHFFFAOYSA-N	321.340	1.990	50	20	DDGD	
C=CCCc1ccccc1NC(=O)NNC(=O)[C@H]1CCC(=O)N1	861067195	AMOSIPBNRVVSAP-CYBMUJFWSA-N	316.361	1.237	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)CCc2ccccc2)CCC1=O	764075129	RJWDGLNCIFRRDE-JSGCOSHPSA-N	302.374	1.772	50	20	DDGD	
CC1(C)CN(CC(=O)NNC(=O)C(C)(C)C)c2ccccc2O1	767913131	RHXKWXBCYDWTFK-UHFFFAOYSA-N	319.405	1.858	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc(-c2cnc[nH]2)cc1	868619582	PKJNCXWMEJPZJO-AWEZNQCLSA-N	314.345	1.407	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)OCC(=O)[C@H]2CCOC2)c1	762847131	WZPXQAQPGCACNJ-GRFABLRMSA-N	315.325	1.751	50	20	DDGD	
COCc1ccc(C=NNC(=O)Cn2cnc3ccccc32)o1	764664341	DQQAFZPQMBAMLE-UHFFFAOYSA-N	312.329	1.926	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCCCCn1ccnc1	867053494	FOYPPUNJDMKOAM-UHFFFAOYSA-N	307.847	1.848	50	20	DDGD	
Cc1cc(Cl)ccc1C=NNC(=O)[C@@H]1CCS(=O)(=O)C1	767362520	XWXNEXSXROFCFD-LLVKDONJSA-N	314.794	1.533	50	20	DDGD	
CCO[C@@H](CC(=O)NNC(=O)c1ccc(OC)cc1)C(C)C	1116266380	BBXHCYSNWKIRAW-AWEZNQCLSA-N	308.378	1.907	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)COC2CCOCC2)c1	873775542	JWHKREXBEPKTCK-UHFFFAOYSA-N	323.418	1.508	50	20	DDGD	
Cc1cccc(NNC(=O)NCCCN2CCCCCC2=O)n1	875007055	VRWYBNAWXRGSBJ-UHFFFAOYSA-N	319.409	1.809	50	20	DDGD	
C=CC(=O)NCc1ccc(C(=O)NNC(=S)NC(C)C)cc1	1115888523	WQMMPTMSDCBHRF-UHFFFAOYSA-N	320.418	1.006	50	20	DDGD	
O=C(COC(=O)C1(F)CCCC1)NNC(=O)c1cccs1	772779567	ODMOMVRTDXPUSP-UHFFFAOYSA-N	314.338	1.335	50	20	DDGD	
C[C@](O)(CC(=O)NNc1nncc(N)c1Cl)c1ccccc1	1116514755	PFEWFKWRBKOCBK-AWEZNQCLSA-N	321.768	1.453	50	20	DDGD	
O=S(=O)(CCCCl)N1CCC[C@@H](OCC(F)(F)F)C1	881800757	WXININIGCDFLIA-SECBINFHSA-N	323.764	1.988	50	20	DDGD	
Cc1sccc1NC(=O)C(=O)NNC(=O)CC(F)(F)F	873803559	LAMQLHDQRVWQGM-UHFFFAOYSA-N	309.269	1.095	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2c3c[nH]nc3CC[C@H]2C)nc1	879657998	VYRPVWNFMKUATR-YMTOWFKASA-N	301.350	1.623	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]21	875434131	AVGQXTAENRYLMU-VGMNWLOBSA-N	305.425	1.278	50	20	DDGD	
CCOCn1nc(C)c(CC(=O)NNc2ccc(F)cn2)c1C	874647349	SQEAGXBWWSBOJV-UHFFFAOYSA-N	321.356	1.714	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)CCC(C)(C)C	772315567	KKLIBJJEKCLUBT-WDEREUQCSA-N	300.399	1.938	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C/c1cccc(F)c1	771892762	PYENAFDVTBZUKB-QROSGCPLSA-N	308.309	1.328	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1ccncn1	772994759	LLOQSZIIKDRHTO-VIFPVBQESA-N	320.736	1.359	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2[C@@H](C)C2(F)F)c1	1123575157	PJUDFZCXBCRFCS-HQJQHLMTSA-N	314.288	1.366	50	20	DDGD	
C[C@@H]1[C@@H](C(=O)NNC(=O)NCCc2cccs2)C1(F)F	1123608772	SRIOHVUVJPJJCH-APPZFPTMSA-N	303.334	1.522	50	20	DDGD	
Cc1cc(C)cc([C@H](C)NC(=O)NNC(=O)c2cccnn2)c1	883348881	HQDUBIKFXISOJN-LBPRGKRZSA-N	313.361	1.799	50	20	DDGD	
Cc1[nH]c(C=O)cc1C(=O)NNC(=O)c1cccc(Cl)c1	773711412	WDFARZAEDGLKRA-UHFFFAOYSA-N	305.721	1.864	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CC(F)(F)F)c(F)c1	880326005	YOMTWUVZQFFJPP-UHFFFAOYSA-N	309.219	1.939	50	20	DDGD	
CCN1C[C@@H](C(=O)NNc2c(F)cc(F)cc2F)CC1=O	885150668	FWURNFJGNIBHSW-ZETCQYMHSA-N	301.268	1.415	50	20	DDGD	
CNS(=O)(=O)C[C@@H]1CCCN1C[C@@H](C)CBr	770667631	RDOLPHFWBNLMHM-UWVGGRQHSA-N	313.261	1.031	50	20	DDGD	
CC(C)CN1CCC[C@H]1C(=O)NNC(=S)NC(C)(C)C	1120614427	AMXANADJEFFKGU-NSHDSACASA-N	300.472	1.401	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H]2CCC[C@H]2OC)ccc1F	1120655472	FIVMAUKNQCBODM-GXFFZTMASA-N	310.325	1.871	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CCc2ccc(O)nc2)n1	787897783	BDNRMSUZGJPKIV-UHFFFAOYSA-N	307.741	1.615	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H]1CCN2CCC[C@H]2C1	884957475	QZGUTTCXAQTBCY-NEPJUHHUSA-N	308.875	1.798	50	20	DDGD	
COc1cc(C(C)=NNC(=O)C(C)(C)O)cc(OC)c1OC	785463131	LWSRESLXSNJIIG-UHFFFAOYSA-N	310.350	1.324	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)C2(C)COC2)c1C	782550075	YDILVDGVGRMPFF-GFCCVEGCSA-N	306.362	1.255	50	20	DDGD	
O=C(CCNS(=O)(=O)CCCCl)NCc1ccccc1	881844896	BYVJDSTYACOLCS-UHFFFAOYSA-N	318.826	1.241	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H](CO)Cc1ccc(F)cc1	882031450	GAKQFZDDXWPNHT-GFCCVEGCSA-N	309.790	1.277	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](C)OC[C@@H]2CCCO2)c1	780796956	OVXVXOCYKXRYER-FZMZJTMJSA-N	322.361	1.500	50	20	DDGD	
COc1cc(C(=O)NNc2ccnc(F)c2)cc2c1OCCO2	781365559	VQGMOOSANLUMRV-UHFFFAOYSA-N	319.292	1.757	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@H]1C[C@H](c2ccccc2)C1	883622209	JYWRGKYGQYQGAK-SHTZXODSSA-N	317.389	1.690	50	20	DDGD	
CCO[C@H](CCNC(=O)NNC(=O)C1CCOCC1)C(C)C	883487720	VZCDFIVDEPGKDB-CYBMUJFWSA-N	315.414	1.195	50	20	DDGD	
C[C@@H]1[C@@H](C)[S@](=O)CCN1S(=O)(=O)CCCCCl	780786820	RUIBSAKFSAQRCV-XIZWVBILSA-N	301.861	1.177	50	20	DDGD	
Cc1cccc([C@@H](CC(=O)N2CC=C(C#N)CC2)NC(N)=O)c1	780685934	LVJYSHOFXDGCNB-OAHLLOKOSA-N	312.373	1.777	50	20	DDGD	
CCn1nccc1NC(=O)C(=O)NNc1cc(Cl)ccn1	784856701	SPVDEFBBKLRFST-UHFFFAOYSA-N	308.729	1.033	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H]1C[C@@H](C(=O)OC)C1)c1ccccc1	1120604631	JSZKRGCOQQHYEQ-MJBXVCDLSA-N	318.373	1.527	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=S)NC(C)(C)C)c1ccccc1	899995152	JSSJOMUWKYLIER-OAHLLOKOSA-N	309.435	1.842	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)[C@@H]1CCCN1C1CC1	787209882	UAZCDBDRAYOSEX-ZDUSSCGKSA-N	322.434	1.248	50	20	DDGD	
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NNc1ncncc1Cl	780975643	JNIXTAOZABOTKK-SFYZADRCSA-N	314.777	1.059	50	20	DDGD	
NC(=O)Nc1cccc(C(=O)NNc2ncncc2Cl)c1	781833825	QDVCEXHMZXECAF-UHFFFAOYSA-N	306.713	1.378	50	20	DDGD	
COc1cc(NNC(=O)N[C@@H]2C[C@@H](C)OC2=O)ccc1Cl	896359224	LPVMRXYKISBRPC-GMSGAONNSA-N	313.741	1.679	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)C1CCC(F)(F)CC1	788703391	FPDCGLXRMBRGTH-UHFFFAOYSA-N	301.337	1.926	50	20	DDGD	
CCOc1cccc(C(=O)NNc2ccc(-n3ccnc3)nn2)c1	788179289	VPBNVQMVSDYYCH-UHFFFAOYSA-N	324.344	1.818	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2coc(C)c2)cc1OC	780160579	WLSZYOHSJHJLDP-UHFFFAOYSA-N	304.302	1.680	50	20	DDGD	
C[C@@H]1CC[C@@H](NC(=O)NNc2cccc(S(C)(=O)=O)c2)C1	780794636	OVGGVZSPDOZNRY-GHMZBOCLSA-N	311.407	1.905	50	20	DDGD	
C[C@H](Oc1ccc(C=NNC(=O)c2ccc[nH]2)cc1)C(=O)O	794888685	MDIXVODFPVROQC-JTQLQIEISA-N	301.302	1.631	50	20	DDGD	
COc1cncc(C(=O)NNc2ccc(-c3ccccc3)nn2)n1	792370590	FWDVUHZJLRPMBN-UHFFFAOYSA-N	322.328	1.699	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)[C@@H]2CCC(F)(F)C2)c1	795238108	ICXJTNDKCWZZPR-SECBINFHSA-N	318.345	1.969	50	20	DDGD	
CC(=NNC(=O)c1ccc(O)c(O)c1)c1cc(O)ccc1O	794557785	PAGBMLJNDQEZOP-UHFFFAOYSA-N	302.286	1.663	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)NCCc1ccc(F)cc1	794748077	IZRQFQGPSHHMHX-UHFFFAOYSA-N	317.324	1.221	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2cnn(C(F)F)c2)n1	797640360	YHZKLHGANRENOW-UHFFFAOYSA-N	310.264	1.448	50	20	DDGD	
Cc1nn(C(C)C)c(C)c1CC(=O)NNC(=O)NCC1CC1	794246256	GVYHRNHAJDOICS-UHFFFAOYSA-N	307.398	1.364	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCC[C@H](c2ncccc2C)C1	799113131	JLKNLRWCXJFNMK-LBPRGKRZSA-N	318.377	1.876	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc2ccccc2c(=O)o1	798305578	VPSJZTPRHRREDC-UHFFFAOYSA-N	303.343	1.088	50	20	DDGD	
COc1cc(NNC(=O)c2cccc(=O)n2C)ccc1Cl	790174100	BXWGLLMIWIGCKB-UHFFFAOYSA-N	307.737	1.804	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2c(F)ccc(O)c2O)cc1	790070460	SVVSBENSQXCUGN-UHFFFAOYSA-N	318.304	1.874	50	20	DDGD	
O=C(NCC1CC1)NNS(=O)(=O)c1cc(Cl)ccc1F	790053728	IVCCEQMEOJVZCY-UHFFFAOYSA-N	321.761	1.382	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCCCC1)c1ccc(O)nn1	790149800	QLMSLQKKAKFHRH-NSHDSACASA-N	305.382	1.144	50	20	DDGD	
C=CCNC(=S)NNC(=O)CSCc1cccs1	1317689350	IJUKGTHOUPGGRY-UHFFFAOYSA-N	301.462	1.663	50	20	DDGD	
N#CCOc1ccc(C=NNC(=O)c2n[nH]c3c2CCCC3)cc1	1318033117	ZWBXDDYGRCMUQK-UHFFFAOYSA-N	323.356	1.955	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2c3ccccc3nn2C)n1	1321421422	WOMNFOCQWRGXQV-UHFFFAOYSA-N	311.349	1.186	50	20	DDGD	
Cc1nnc(NC(=O)NNC(=O)c2ccccc2Cl)s1	1320122282	NFDBZVQCUFCTBL-UHFFFAOYSA-N	311.754	1.966	50	20	DDGD	
Cc1nnc(CNC(=O)NNc2ccc(C(C)(C)C)nn2)o1	1323009053	WKLBKMGZQCSONF-UHFFFAOYSA-N	305.342	1.292	50	20	DDGD	
Cc1nn(C(C)(C)C)cc1C(=O)NNc1nncc(N)c1Cl	1320927285	QMRHPFDVSQKOFP-UHFFFAOYSA-N	323.788	1.729	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCCC(F)F)cc1	1332345294	ZKJFXKCSMVQAKN-UHFFFAOYSA-N	301.293	1.685	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1ncc(Cl)cc1Cl	1337044185	IAXJKTNFQOPUEM-UHFFFAOYSA-N	319.148	1.075	50	20	DDGD	
COc1ccc(C(=O)NN[C@H](C(N)=O)c2ccc(C#N)cc2)cc1	1339142730	YXJUERMDHIVXNH-HNNXBMFYSA-N	324.340	1.028	50	20	DDGD	
C#CCSCCNC(=O)NNC(=O)c1ccccc1Cl	1252045380	LREPSLCVISXNIY-UHFFFAOYSA-N	311.794	1.650	50	20	DDGD	
CCS(=O)(=O)CCCNC(=O)c1cccc(CCl)c1	1336534430	MLYKGQZQAWDGNT-UHFFFAOYSA-N	303.811	1.980	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2ccc(C(=O)N(C)C)[nH]2)cc1	1252685158	LUFMYKWEGXAVHS-UHFFFAOYSA-N	314.345	1.489	50	20	DDGD	
Nc1cnnc(NNC(=O)Cc2ccc3c(c2)COC3)c1Cl	1337764608	DFSMKQDNVXDKSU-UHFFFAOYSA-N	319.752	1.428	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NC1(C(F)(F)F)CC1	1334578308	OSLJMMHWQPZMNC-UHFFFAOYSA-N	302.256	1.049	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)C(F)(F)C1(O)CCC1	1337093496	KMWSVYCMUFKOPJ-UHFFFAOYSA-N	314.288	1.467	50	20	DDGD	
C=C[C@](C)(CCOC)C(=O)NNc1ccc(C(=O)OC)cn1	1338656090	QGXKKUQLVOLBHG-OAHLLOKOSA-N	307.350	1.540	50	20	DDGD	
C[C@@H]1C[C@@H]1CNC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1261765892	TXFARXDFHYSZBC-KZFFXBSXSA-N	303.200	1.048	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cc(C#N)ccc2C)nn1	1343323161	QRLLMJFUWMGVBW-UHFFFAOYSA-N	310.317	1.047	50	20	DDGD	
CN1CCN(CCNC(=O)C2CCC(Cl)CC2)CC1(C)C	1521553306	AHQVXYXUGUAMEV-UHFFFAOYSA-N	315.889	1.926	50	20	DDGD	
O=C(O)[C@H]1C[C@@H](C(=O)NNc2cccc(Br)n2)C1	1608821669	BONNTTJRGQGNMQ-KNVOCYPGSA-N	314.139	1.398	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2cc(C(=O)O)ccn2)c1	1600648546	SDGKWEVFCYVUND-UHFFFAOYSA-N	305.315	1.225	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cc(C(=O)O)c(C)cc1C	1602701264	DFQUGQGXBFPTRE-UHFFFAOYSA-N	317.345	1.958	50	20	DDGD	
CC(F)(F)C(C)(C)C(=O)NNc1cccc(-c2nn[nH]n2)c1	1603592439	VTMDYHRCFHNFCC-UHFFFAOYSA-N	310.308	1.991	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ncc(F)cc1F	1606861682	WTONFUJFQWSEFK-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
Cc1cc(C(=O)O)oc1C(=O)NNC(=O)Cc1ccsc1	1600133761	UJIAOOAALLUFKT-UHFFFAOYSA-N	308.315	1.351	50	20	DDGD	
N#Cc1cccc(C(=O)NNc2ccc(C(=O)O)cc2F)n1	1601116551	HWGZUFNZVDROGD-UHFFFAOYSA-N	300.249	1.547	50	20	DDGD	
O=C(CCCCc1cnn[nH]1)NNc1ccc(C(=O)O)cc1F	1601264097	IBXXHJVRBSGONO-UHFFFAOYSA-N	321.312	1.498	50	20	DDGD	
C[C@@]1(C(=O)O)CCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	1603292208	DKPVLKQHCQEKEK-CKDIWJPDSA-N	300.314	1.765	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1Cc2cccnc2C1	1606855984	MCKGNUICDLERHP-LBPRGKRZSA-N	321.344	1.120	50	20	DDGD	
Cc1ccc(NNC(=O)CCOC[C@H]2CCCO2)cc1C(=O)O	1607810345	ZMDXAQHDIZNSPZ-CYBMUJFWSA-N	322.361	1.722	50	20	DDGD	
CSCCCCC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1605375086	AAQLTMJZYCKPLJ-UHFFFAOYSA-N	307.383	1.238	50	20	DDGD	
O=C(Cc1ncccc1F)NNc1ccc(C(=O)O)c(F)c1	1608371153	DDVIRGKAGCVEEJ-UHFFFAOYSA-N	307.256	1.744	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)s1)[C@H]1CN2CCC[C@@H]2CO1	1549316280	FMAMQHUUUGXKKV-MWLCHTKSSA-N	313.810	1.715	50	20	DDGD	
CN(C)c1ccc(C(=O)NNc2ccc(C(=O)O)cn2)cc1	1610105217	JMLWMUPPZKOEOA-UHFFFAOYSA-N	300.318	1.603	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNc1cccc(C(=O)O)c1	1610678526	HZFCYSDTXCSJKU-UHFFFAOYSA-N	310.313	1.878	50	20	DDGD	
CCn1nccc1[C@@H]1OCCC[C@@H]1C=NNC(=O)c1ccon1	1553288201	RYTRTYQGDDGFKX-BXUZGUMPSA-N	317.349	1.775	50	20	DDGD	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)NNC(=O)[C@@H]1CCN1	1576300005	HYNKOUZWMINJED-KCJUWKMLSA-N	313.810	1.330	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(C(=O)O)cc1F)c1cnc[nH]1	1589574650	CHMOKKKNPYOZQN-UHFFFAOYSA-N	306.297	1.668	50	20	DDGD	
CC1=C(C(=O)N2CC3(CCCN3C(=O)[C@@H](F)Cl)C2)CCO1	1843363648	RIJKTXCZRRZUBP-LLVKDONJSA-N	316.760	1.419	50	20	DDGD	
O=C(CCc1ccc(F)c2ccccc12)NNC(=O)[C@@H]1CCN1	1580544104	AYSCJIPJAYGKDV-HNNXBMFYSA-N	315.348	1.421	50	20	DDGD	
CC(C)[C@H](O)C(=O)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846386664	LLQZAEZVTGWSRL-VIFPVBQESA-N	323.220	1.010	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(C(=O)O)cc1N(C)C	1594866440	MEVASTKRFHYDDL-VIFPVBQESA-N	322.365	1.650	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C[C@@H](C)CC(=O)O)ccc1F	1598948987	PBSSWWVGWJORDH-MRVPVSSYSA-N	312.297	1.556	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccccc2C(=O)O)c(C)n1	1599271900	SBTGUKVRPCGGEV-UHFFFAOYSA-N	318.333	1.293	50	20	DDGD	
CSSCCNc1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-]	1591701942	QZVMSTYIBUYCJI-UHFFFAOYSA-N	313.368	1.593	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H]2CC[C@H]2C(=O)O)ccc1F	1593882725	TYYSREQKRHQSJT-DTWKUNHWSA-N	310.281	1.166	50	20	DDGD	
COCCN(CC(C)C)NC(=O)Nc1cccc(CC(=O)O)c1	1594000375	XSDDJWWUMOLBGX-UHFFFAOYSA-N	323.393	1.955	50	20	DDGD	
O=C(NN=Cc1ccc(-c2nn[nH]n2)cc1F)[C@@H]1CCCS1	1593155561	QDPXUDVSECTPGQ-NSHDSACASA-N	320.353	1.352	50	20	DDGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3cc(C(=O)O)nn3C)nc12	1777476284	SUCHVWJVJIXDJE-WEVVVXLNSA-N	308.301	1.762	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NN=Cc1sccc1C(=O)O	1776098535	OKEFAPKYBRDMJJ-SNVBAGLBSA-N	309.391	1.769	50	20	DDGD	
Cc1nnc(NNC(=O)c2ccc(OC(C)C)cc2)[nH]c1=O	11548015	OFZDJEQRXXPRQG-UHFFFAOYSA-N	303.322	1.017	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cccc(NC(N)=O)c1	15021551	DPJYRCVKAOFQSG-UHFFFAOYSA-N	312.329	1.560	50	20	DDGD	
CSCC[C@@H](NC(N)=O)C(=O)NNc1cc(C)ccc1F	150832903	QVUDVPVAGGGDBQ-SNVBAGLBSA-N	314.386	1.367	50	20	DDGD	
CCC(CC)n1nccc1C(=O)NNC(=O)c1cccn1C	161261774	FGLKDWFJEAMDIY-UHFFFAOYSA-N	303.366	1.658	50	20	DDGD	
CCC(=CC(=O)NNC(=O)COc1ccc(C#N)cc1)CC	164246402	YOOTTXCYIMDPOH-UHFFFAOYSA-N	301.346	1.831	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)CCc1ccc(OC)cc1	151720559	MFEPUIDKSUVCLV-LBPRGKRZSA-N	308.378	1.590	50	20	DDGD	
O=C(NCCCC1CCCCC1)NNC(=O)C(=O)N1CCCC1	155083204	DHRHZZWRLVQUBD-UHFFFAOYSA-N	324.425	1.300	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CCc1nc(C)no1	156209124	BJSDZFSXCLVPKK-UHFFFAOYSA-N	307.262	1.833	50	20	DDGD	
CC(C)(C)CC[C@@H](NS(=O)(=O)CBr)C(=O)O	309712272	XMUDRNRGTQJUQQ-SSDOTTSWSA-N	316.217	1.538	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NN(C)C(=O)OC(C)(C)C	496423819	HXDZYHNFQYMHLD-VIFPVBQESA-N	317.386	1.798	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C2CCC2)cc1	8208840	CMSIIKLTOHUHAE-NSHDSACASA-N	306.362	1.800	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@@H](C)OC)ccc1OC(C)C	55409414	FAKXYZKLERBWMO-SNVBAGLBSA-N	310.350	1.278	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C(C)(C)C)C(=O)N1CCCC[C@H]1C	102455744	HTBFYGODPBBTNX-GHMZBOCLSA-N	312.414	1.152	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NC[C@H]2CCCO2)c2ccccc21	54027909	WXYWUERKYBSSOB-LLVKDONJSA-N	316.361	1.301	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCc2cccc3ccccc23)cn1	117962914	HHIXDTDPWXTVQT-UHFFFAOYSA-N	323.356	1.718	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	173070363	CMLMYIIQDIUSSR-LBPRGKRZSA-N	324.352	1.723	50	20	DDGD	
O=C(CN1C[C@H]2CCCC[C@H]2C1)NNC(=O)c1ccccc1	177579780	FWKKRXLUAVNGIU-GASCZTMLSA-N	301.390	1.570	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)c2cc[nH]c2)cc1OC	68229590	YPELEZZTLFZJHQ-UHFFFAOYSA-N	317.345	1.887	50	20	DDGD	
COCCCNC(=O)NNC(=O)C(C)(C)Cc1ccccc1	117768428	XILDDGUHSZSKDV-UHFFFAOYSA-N	307.394	1.622	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1nc(-c2cccs2)oc1C	65190172	RIVNKKNQBCBCBX-UHFFFAOYSA-N	308.363	1.604	50	20	DDGD	
CC(C)NC(=O)Nc1cccc(C(=O)NNc2cnccn2)c1	114882218	PSIQIBXLDQMALC-UHFFFAOYSA-N	314.349	1.763	50	20	DDGD	
CC(C)c1nnc(CCC(=O)NNC(=O)CC2CCCC2)o1	177403660	OIULTMKJTOIPKE-UHFFFAOYSA-N	308.382	1.853	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc(-n3cncn3)cc2C)n1	173024017	YFKBNPPMAUKMDQ-UHFFFAOYSA-N	323.360	1.739	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H]1COc2ccccc21	113053630	KAMPMPQXFHRWBA-ZDUSSCGKSA-N	312.325	1.632	50	20	DDGD	
O=C(NNc1cccnn1)C(O)(c1ccccc1)c1ccccc1	172371929	IYTDEWLJPRGFTK-UHFFFAOYSA-N	320.352	1.856	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)[C@@H](C)c1cccc(O)c1	111239549	IWOBKDFYVZAYCO-QWHCGFSZSA-N	321.421	1.967	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCc1cn(C)c2ccccc12	120671076	XNDVHYZTJHTBJB-UHFFFAOYSA-N	316.430	1.792	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1cccc(N2CCCCC2)c1	122859419	FUINRBGRMKOYQW-UHFFFAOYSA-N	306.366	1.212	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2[C@@H](C)CC[C@H]2C)n1	122939511	SLNRSUNTNZTPDN-PHIMTYICSA-N	310.423	1.014	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(CCCNC(=O)NNC(=O)c2ccc[nH]2)C1	127291938	FFSMCTHZRICEPJ-BETUJISGSA-N	321.425	1.327	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1cccc(C#N)c1)[C@H]1CCCO1	124420414	UHMGHELHBCHKIM-ZIAGYGMSSA-N	316.361	1.460	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2scnc2C2CCCC2)[nH]n1	184247628	WMTMITIPGMQZMI-UHFFFAOYSA-N	319.390	1.907	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNc1ncc(F)cn1	123026603	RYPCHTXZVLVZBX-MRVPVSSYSA-N	306.345	1.288	50	20	DDGD	
CO[C@H](C)CCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	182964204	XMOITFIAJBLJOJ-LLVKDONJSA-N	316.361	1.653	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)Cc2cncs2)cc1	188361534	WIKGDQYXZLUPAE-UHFFFAOYSA-N	319.386	1.474	50	20	DDGD	
O=C(CCc1ccc(O)cc1)NNC(=O)NC1CCCCC1	183526583	SSGOUUGLYGVPKN-UHFFFAOYSA-N	305.378	1.988	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)C(=O)Nc1cnn(C)c1	130158793	KYHYEIRZHSPFJL-UHFFFAOYSA-N	324.344	1.359	50	20	DDGD	
CC[C@@H](OC1CCCC1)C(=O)NNC(=O)Cc1ccncc1	81024370	OTSHIZYECRGMPA-CQSZACIVSA-N	305.378	1.509	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2ccc(F)cc2F)c1	190051104	WFNVSLHVMNPLBI-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
CC[C@]1(C)CN(CC(=O)NNC(=O)c2cccs2)CCO1	135629139	XRMXGFMBEJMEPN-CQSZACIVSA-N	311.407	1.010	50	20	DDGD	
Cc1n[nH]nc1C(=O)NNC(=O)c1c(Cl)cccc1Cl	194016332	QVXATJBYIDCSMP-UHFFFAOYSA-N	314.132	1.495	50	20	DDGD	
COc1csc(C(=O)NNC(=O)CNc2ccccc2)c1	80063872	IQWUYCYCYPIPMH-UHFFFAOYSA-N	305.359	1.630	50	20	DDGD	
CCCC[C@H](COC)NC(=O)NNC(=O)c1cccc(C#N)c1	132132802	MTVRXRPAJNKPQH-CQSZACIVSA-N	318.377	1.707	50	20	DDGD	
CCc1noc(CC)c1CNC(=O)NNC(=O)c1ccccc1	87032399	TXXGJVZJKDVQPX-UHFFFAOYSA-N	316.361	1.944	50	20	DDGD	
CC[C@H](NNC(=O)Cc1cccc2ccccc12)C(=O)OC	192830419	UPLTVYWSKKGTEU-HNNXBMFYSA-N	300.358	1.955	50	20	DDGD	
CN(C)N(C(=O)C1C(C)(C)C1(C)C)[C@@H]1CCS(=O)(=O)C1	80648352	ZLYPMEYCHGUMPW-SNVBAGLBSA-N	302.440	1.161	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(COc2ccc(F)cc2)o1	194922405	CBWSYQSIODVMQS-UHFFFAOYSA-N	321.308	1.914	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]c1=S)c1ccc2c(c1)OCO2	144274608	HISSPVTYFJLMEE-UHFFFAOYSA-N	317.326	1.548	50	20	DDGD	
CC(=O)N(C)CC(=O)NNC(=O)c1c(Cl)cccc1Cl	263924232	XBXKBQGLIBYANP-UHFFFAOYSA-N	318.160	1.233	50	20	DDGD	
Cc1c(F)cccc1S(=O)(=O)NNC(=O)CC(C)(C)C	266439508	MJKZCMNNNLOLCB-UHFFFAOYSA-N	302.371	1.880	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)N[C@H](C)CC(C)C)cc1	269944253	WREAPKRKWKIOMQ-GFCCVEGCSA-N	323.393	1.839	50	20	DDGD	
Cc1c(NNC(=O)N[C@H](C)[C@H]2CCOC2)cccc1[N+](=O)[O-]	266729880	CQZGXTKNOCXRSC-MNOVXSKESA-N	308.338	1.954	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC1CCC(O)(c2cccnc2)CC1	368815983	IDGIVTMVTDRCBQ-OUKQBFOZSA-N	315.373	1.772	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CCO[C@H](C)C2)c(C)c1	271815038	BQJXTDRBYGEQBA-ZIAGYGMSSA-N	319.405	1.678	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cc3ccccc3o2)CCO1	271218079	FNJCXIPHUZBNJQ-ZYHUDNBSSA-N	317.345	1.944	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)CC[C@H](C)OC	272872239	VSJLBMBFDQKKIV-NSHDSACASA-N	309.366	1.070	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C1CCC1)[C@@H](c1ccccc1)N(C)C	287845668	DILCGFWPQBGECL-DOMZBBRYSA-N	318.421	1.808	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNc1nccnc1C1CCC1	286912907	HTSYQHQQWHGCEL-UHFFFAOYSA-N	307.354	1.322	50	20	DDGD	
CNC(=O)NNC(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1	282992227	KAAFAMGWQBEYAV-CYBMUJFWSA-N	310.741	1.183	50	20	DDGD	
CCOc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)C2CCC2)c1	284197847	ZJJIVVAAKUJIJH-UHFFFAOYSA-N	307.306	1.555	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)CNc1ccc(C)cc1C	295447022	PVDNMIRBUSCBEL-AWEZNQCLSA-N	307.394	1.678	50	20	DDGD	
C[C@@H](NC(=O)CC(C)(C)C)C(=O)NNc1ncc(F)cc1F	297057645	VWWFIGZNHZLPRP-MRVPVSSYSA-N	314.336	1.744	50	20	DDGD	
COc1cccc2c(C(=O)NNC(=O)NC3CCCC3)n[nH]c12	291616192	YNGWUHMPGDEHAA-UHFFFAOYSA-N	317.349	1.458	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@H]2CCCCN2C)cc1	802117666	XWRUACDYSLXWNY-CQSZACIVSA-N	319.409	1.390	50	20	DDGD	
C[C@H](C(=O)NNc1ncccn1)N(C(=O)OC(C)(C)C)C1CC1	294349513	IBKCZYDNQQKGDQ-SNVBAGLBSA-N	321.381	1.708	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCS1)Nc1ccc2c(c1)OCO2	802099588	UJFIIDJGTFSRIP-GFCCVEGCSA-N	323.374	1.854	50	20	DDGD	
CC(=O)C1(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)CC1	292699540	QKQXWZFAFUVNHU-SECBINFHSA-N	308.309	1.110	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(F)n1)n1nnnc1C(C)(C)C	804772465	JIWNORVNFDLOHP-QMMMGPOBSA-N	307.333	1.209	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cccc(NC(=O)NC2CC2)c1	294077315	HQAJRCWFNYBFFD-UHFFFAOYSA-N	316.361	1.532	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NNc1cc(C(F)(F)F)ccn1	296557063	GEKPUMKCYXBBOS-UHFFFAOYSA-N	319.287	1.804	50	20	DDGD	
Cn1cncc1CC(=O)NNC(=O)Cc1ccc(Cl)cc1	806340267	QBGHSGRQXYNAKL-UHFFFAOYSA-N	306.753	1.006	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1cncn1C	809799833	XEABUCFWVPCJBB-SECBINFHSA-N	322.752	1.302	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C(C)(C)CC(C)C	807368358	FLSZMHLRGOUNIJ-UHFFFAOYSA-N	302.415	1.995	50	20	DDGD	
CC[C@@H](C)CCC(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1	806341101	ZWEFFIPPUDRZMD-MCIONIFRSA-N	313.442	1.459	50	20	DDGD	
C=C(C)[C@H](CC(=O)NNc1ccc(-n2ccnc2)nn1)OCC	804955493	ZJXZPJJLKOCNJH-LBPRGKRZSA-N	316.365	1.477	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802102068	BSEDSMXIEPQTBH-LLVKDONJSA-N	311.363	1.710	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNS(=O)(=O)c2cccc(Cl)c2)O1	295246974	VXGNGOXNNSFTTD-KWQFWETISA-N	318.782	1.217	50	20	DDGD	
C[C@@](O)(CSc1cccc(F)c1)C(=O)NNc1cccnn1	803097978	FGDJZSGCPHIBPZ-CQSZACIVSA-N	322.365	1.602	50	20	DDGD	
Cn1nnc2c1C[C@H](C(=O)NNc1cccc3cnccc13)CC2	291330828	QHSGPBSEYURJHB-LLVKDONJSA-N	322.372	1.612	50	20	DDGD	
Cc1cc(C)nc(NC(=O)C(=O)NNc2cccc(F)n2)c1	807391511	WIZFGJQFCADZLW-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCN2CCCOCC2)cc1	297337615	NAOOAUOLEKLIDW-UHFFFAOYSA-N	322.409	1.434	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccsc1NC(=O)c1ccco1	804125457	OFIZEVKIEAPKPQ-UHFFFAOYSA-N	323.330	1.936	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cc(O)ccc1[N+](=O)[O-]	802823147	LMNZOPLGHDXTPB-UHFFFAOYSA-N	318.245	1.966	50	20	DDGD	
CCc1ccccc1NC(=O)C(=O)NNc1cccc(F)n1	807391344	NUKSNEIXHHVKDE-UHFFFAOYSA-N	302.309	1.865	50	20	DDGD	
CCOc1ccc(CC(=O)NNC(=O)N=c2cc[nH]cc2)cc1	802032028	MHQNSOWSXNLWDW-UHFFFAOYSA-N	314.345	1.298	50	20	DDGD	
O=C(CSc1ccc(F)cc1)NNC(=O)N=c1cc[nH]cc1	802029064	GDJRDWVUWLUQJM-UHFFFAOYSA-N	320.349	1.588	50	20	DDGD	
Cn1cccc1C(=O)NNS(=O)(=O)c1ccc(C2CC2)cc1	295422760	YJFJDALMUHLOAP-UHFFFAOYSA-N	319.386	1.526	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CCc2ccoc2)cc1	801108717	MZUFYWIIQMAFJI-UHFFFAOYSA-N	315.329	1.307	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)C1=CCCC1	817052029	UMHMHUWYKHBMDR-UHFFFAOYSA-N	309.391	1.490	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](F)C(F)(F)F)c([N+](=O)[O-])c1	810604877	AEEWUKFPVXDKMS-QMMMGPOBSA-N	311.191	1.947	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc2oc(S)nc2c1	816823753	FKZMBSXUZAUEFA-UHFFFAOYSA-N	316.342	1.530	50	20	DDGD	
O=C(NN=Cc1c(F)cccc1N1CCCC1)c1cnccn1	818285919	LBOFLJXKBZPJPV-UHFFFAOYSA-N	313.336	1.980	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1ccc2cnn(C)c2c1	812914960	XYRHXCMROKHTDH-UHFFFAOYSA-N	303.366	1.450	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)Nc2sccc2C#N)cc1	815574613	WLESHRFBPHBLKX-UHFFFAOYSA-N	311.326	1.573	50	20	DDGD	
COCCN(C)NC(=O)c1coc(-c2c(F)cccc2F)n1	817601849	GXEUGLHLVKOJTL-UHFFFAOYSA-N	311.288	1.843	50	20	DDGD	
COC(=O)c1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2OC)c[nH]1	815220293	VVNZKMVVAGAVRS-UHFFFAOYSA-N	320.257	1.937	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNC(=O)Cc1ccccc1OC	810194573	YUKKIUULBOXAFM-UHFFFAOYSA-N	322.364	1.609	50	20	DDGD	
CSCC[C@@H](NC(=O)c1ccco1)C(=O)NN(C)C1CC1	819640935	HOIHHKFPBJWBCX-LLVKDONJSA-N	311.407	1.257	50	20	DDGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)c1cocn1	729298424	GCHDOHQYJJORBT-UHFFFAOYSA-N	311.750	1.881	50	20	DDGD	
CCN1CCO[C@H](C(=O)NNc2cc(Cl)nc(Cl)c2)C1	819743612	SNABZXYLPRYJJS-VIFPVBQESA-N	319.192	1.552	50	20	DDGD	
O=C(Cc1ccccc1O)NNc1ccc(-c2nn[nH]n2)cc1	826423748	DOCYOCMSRUZJGM-UHFFFAOYSA-N	310.317	1.258	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)Nc2ccc(Cl)cc2)CO1	827617702	LDBZPKUYMUHMET-KWQFWETISA-N	312.757	1.853	50	20	DDGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)O)nn2)c1	490727034	XCLRQHHXTQKAJC-WDZFZDKYSA-N	311.301	1.217	50	20	DDGD	
COC(=O)CCCN1CCC(=NNC(=O)c2cccn2C)CC1	727062121	UKYKJYKBIFOXJK-UHFFFAOYSA-N	320.393	1.160	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccco1	495944416	WBYYCLZYEFCYKW-GFCCVEGCSA-N	305.334	1.646	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)C1CCC1)c1cccc(OC)c1	821222587	RMLLEGTXTSWTSE-AWEZNQCLSA-N	321.377	1.513	50	20	DDGD	
CCCSc1nsc(NC(=O)NNC(=O)OCC)n1	496329626	SYJQYTRDKYAPAE-UHFFFAOYSA-N	305.385	1.823	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1	822548178	WBCPRZWYRQBMCU-QWHCGFSZSA-N	306.435	1.323	50	20	DDGD	
O=C(NNC(=S)NC1CCOCC1)NC1CCCCC1	727780780	ZSBPNOOPQUMZMN-UHFFFAOYSA-N	300.428	1.176	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@@H]1CCCN(CCc2ccccc2)C1	823924319	ZBEDEDSIUSXMMM-NVXWUHKLSA-N	319.449	1.285	50	20	DDGD	
CC(=O)c1cc(C(=O)NN(C)[C@H](C)CO)ccc1OC(C)C	823912191	BPIIQPYOEHFGMZ-LLVKDONJSA-N	308.378	1.634	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1c(Cl)cc(C#N)cc1Cl	823938979	DJPYDRQHXBNJNA-SSDOTTSWSA-N	302.161	1.822	50	20	DDGD	
COc1ccc(CCC(=O)NN(C)[C@@H](C)CO)cc1Cl	823976885	KPVZISNOJRBPHH-JTQLQIEISA-N	300.786	1.625	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cc2cnccc2[nH]1	824437459	SPTURGMFKPNNQY-UHFFFAOYSA-N	303.391	1.472	50	20	DDGD	
CC(C)Cn1[nH]c(CC(=O)NNc2ccc(F)cn2)cc1=O	828915842	RXMRFEVXECLFEM-UHFFFAOYSA-N	307.329	1.052	50	20	DDGD	
CC(C)[C@H]1CC[C@@H](C)CCN1C(=O)c1cccc(B(O)O)c1	584950788	ZKTAMJWUPIVLKI-CZUORRHYSA-N	303.211	1.653	50	20	DDGD	
CCc1ccc([C@H]2CCN(C(=O)c3cccc(B(O)O)c3)C2)cc1	584991409	AFPJZZXKCKXHTD-KRWDZBQOSA-N	323.201	1.559	50	20	DDGD	
Cc1ccnc(NNC(=O)CCn2cc(Br)cn2)c1	826794089	NGHJCHYCCKBFFW-UHFFFAOYSA-N	324.182	1.882	50	20	DDGD	
CCO[C@@H]1C[C@H](N(C)C(=O)/C(C#N)=C/c2cnn(C)c2)C1(C)C	491164168	ZNCVXWPRTYWERR-GEJCVMBQSA-N	316.405	1.989	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)Cc1cn(C)nc1C	822732029	RLGNLVHDNCDNSA-UHFFFAOYSA-N	320.324	1.340	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@H](CO)Cc1ccncc1Cl	491157785	ALFYHTIZNMPJKT-COVOJHCQSA-N	323.780	1.446	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)NNC(=O)NC1CC1	496624470	PPBKQXLMJIKPQY-BDAKNGLRSA-N	314.386	1.029	50	20	DDGD	
Cc1ccc(C2=NO[C@H](C(=O)NNC(=O)C3CCC3)C2)cc1	900658111	GGPIJKVGCRJGOE-AWEZNQCLSA-N	301.346	1.436	50	20	DDGD	
C[C@H]1C[C@H]1C=NNC(=O)COc1ccccc1-c1nn[nH]n1	820666229	HFLMRBSZDJYCAZ-UWVGGRQHSA-N	300.322	1.004	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H]1CCS[C@H]1C	825973300	BGHMOGAUCPCNNF-ONGXEEELSA-N	309.391	1.533	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@@H]2CCCCN2C)c1	822511407	QVHLUUMFGYXYPK-AWEZNQCLSA-N	319.409	1.708	50	20	DDGD	
CSC[C@H](NCc1ccccc1B(O)O)c1ccccc1	585028617	MBNYSBSMLHGEGX-INIZCTEOSA-N	301.220	1.560	50	20	DDGD	
C[C@@H](Cc1ccsc1)N(C)C(=O)c1cccc(B(O)O)c1	584956806	IDZJIVKNJUJUAR-NSHDSACASA-N	303.192	1.131	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H](c1cc(F)ccc1F)C1CC1	585026411	GRUOBEASTXAVSS-QGZVFWFLSA-N	317.144	1.886	50	20	DDGD	
C[C@@H]1Cc2cc(S(=O)(=O)NNC(=O)O)cc(Cl)c2O1	736826152	SAKQXJJYGKYXMX-RXMQYKEDSA-N	306.727	1.124	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2C[C@H]3CCN(C)[C@H]3C2)cc(C#N)n1C	491007091	FNBYLMJCUXKRDH-ACHYZANFSA-N	323.400	1.275	50	20	DDGD	
COC(=O)NNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	495448658	PZYOHGPPSIEVGQ-UHFFFAOYSA-N	322.302	1.719	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCCOCC1CCCC1	495977649	FWYCZBSFYQXBGP-UHFFFAOYSA-N	301.387	1.932	50	20	DDGD	
CCOc1c(Cl)cc(CN2CC[C@@H](B(O)O)C2)cc1OC	585077981	ZPFKSXURPBXKTH-LLVKDONJSA-N	313.590	1.796	50	20	DDGD	
O=C(/C=C/c1ccccc1OC(F)F)N1CC[C@H](B(O)O)C1	585069193	MGIBXOHOTRPSQX-QRGHLMKCSA-N	311.093	1.377	50	20	DDGD	
CN(C)C(=O)NNC(=O)CNc1cccc(C(F)(F)F)c1	733141266	DRTKOBFHZNCZFI-UHFFFAOYSA-N	304.272	1.420	50	20	DDGD	
COc1ccccc1C/C(C)=C/C(=O)NNC(=O)NC1CC1	730213624	VNNQWMOBQUUTKB-ZHACJKMWSA-N	303.362	1.677	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccc2c(c1)C[C@@H](C)O2	901194802	OWZHBTGPYKZJGG-NEPJUHHUSA-N	306.362	1.512	50	20	DDGD	
O=C(CCc1ccon1)NNc1ccc(C(F)(F)F)nn1	831163867	HNXLDQDBULKFLF-UHFFFAOYSA-N	301.228	1.559	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)NC[C@]1(C)CCC(=O)N1	838732773	GWVAKIICTDRCAK-AWEZNQCLSA-N	310.785	1.943	50	20	DDGD	
COCC1(C(=O)NNC(=S)NCCSC)CCCC1	837507648	AZXSGPZBEZEHAQ-UHFFFAOYSA-N	305.469	1.052	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)C[C@H]1CCOC1	739688271	MREBEGUCWQVRTR-SECBINFHSA-N	312.753	1.536	50	20	DDGD	
Cc1ccc(NNC(=O)CS(=O)(=O)C(C)C)c(Cl)c1	836936459	LDYROVRJGAFNKZ-UHFFFAOYSA-N	304.799	1.915	50	20	DDGD	
CCn1ncc2c(C(=O)NNC(C)=O)cc(-c3ccccc3)nc21	835815596	FYKOUWGJDNFUQW-UHFFFAOYSA-N	323.356	1.899	50	20	DDGD	
CCc1[nH]c(C(=O)NNC(=O)CC(C)(C)C)c(C)c1C(=O)O	737243089	ANKLLSRQEMTRSM-UHFFFAOYSA-N	309.366	1.781	50	20	DDGD	
O=C(NN=Cc1cncc(Br)c1)[C@@H]1CCCCO1	834985205	GPEPSHBAUKDRLQ-NSHDSACASA-N	312.167	1.863	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(Cl)c1Cl)S(C)(=O)=O	838341900	OEHHBSWIQWLJIR-LURJTMIESA-N	311.190	1.870	50	20	DDGD	
CCCNC(=O)/C(C#N)=C\c1ccc(OC)c(-c2nn[nH]n2)c1	736482597	XZOQHOAPAGIWNQ-XFFZJAGNSA-N	312.333	1.308	50	20	DDGD	
CN(NC(=O)c1nn(C(C)(C)C)cc1Br)C(N)=O	831520511	WPYBQFHUGURJOU-UHFFFAOYSA-N	318.175	1.056	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCCO1)c1ccc(S(C)(=O)=O)cc1	834988381	JFRPIMGIVUIHKM-CQSZACIVSA-N	324.402	1.499	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NNC(=O)[C@@H]1CCCCO1	833242717	NGBVEISUHTWRSU-MCIONIFRSA-N	312.410	1.688	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)CCNC(N)=O)C1	912585385	TYJWXZZGBARNQQ-NSHDSACASA-N	315.490	1.668	50	20	DDGD	
Cc1cc2ccccc2n1CC(=O)NNc1ccnc(N(C)C)n1	740102419	JBRGGOKVKGRNSV-UHFFFAOYSA-N	324.388	1.949	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2cc(O)nc3ncccc23)CCO1	913991631	ZNWZUEJLEKDWIR-NXEZZACHSA-N	302.334	1.594	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@@H]2CS[C@H](C)C2)c1	840416059	JEPJNORZGGFUSQ-NEPJUHHUSA-N	323.418	1.598	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(C)n2)cc1C	841613487	AKCOSXJBPWEQHI-UHFFFAOYSA-N	313.361	1.434	50	20	DDGD	
CC(C)SCC(=O)OCC(=O)NNC(=O)c1ccccc1	914661766	LBPFUGDKBVROPT-UHFFFAOYSA-N	310.375	1.132	50	20	DDGD	
NC[C@@H]1CC[C@H](NC(=O)NNC(=O)CCc2ccccc2)C1	842010800	ODHNTFOLOFPMHP-KGLIPLIRSA-N	304.394	1.077	50	20	DDGD	
CCC(CC)(C(=O)NN(C)C[C@@H](C)O)C(=O)OC(C)(C)C	910141238	RAZAWVPKYWODKY-LLVKDONJSA-N	302.415	1.478	50	20	DDGD	
Cn1c(NNC(=O)[C@H]2CCn3ccnc3C2)nc2ccccc21	848379227	FKZUUANAPZZPBR-NSHDSACASA-N	310.361	1.476	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2)ccn1	747987254	FVHYDIFSNDZQKE-UHFFFAOYSA-N	316.273	1.533	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)C(C)(C)N1CCCCC1)C1CC1	912159900	JIYUFOKNTMUESD-LLVKDONJSA-N	312.483	1.545	50	20	DDGD	
N#CC1(CNC(=O)NNC(=O)CCc2ccccc2)CCC1	842196687	OLHUQTYHHOHWHM-UHFFFAOYSA-N	300.362	1.643	50	20	DDGD	
CC[C@@H](C(=O)NNc1ncc(Br)cn1)[C@@H](C)O	848392044	UMDZXWNPFWBXBO-HTRCEHHLSA-N	303.160	1.089	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNC(=O)C2CCCC2)nc1C	914843942	HFBRAORTHCNHPZ-UHFFFAOYSA-N	319.361	1.518	50	20	DDGD	
CC[C@H]1CCC[C@@H]1C(=O)NNc1ccccc1S(N)(=O)=O	842256878	KEWMBDXYIBEVMT-QWRGUYRKSA-N	311.407	1.603	50	20	DDGD	
COC[C@H](Cc1ccccc1)NC(=O)NNC(=O)CC(C)C	746782760	YBNSJMNBFYTMTJ-AWEZNQCLSA-N	307.394	1.621	50	20	DDGD	
C=C(CBr)CN(CCOC)C[C@@H](O)C(F)(F)F	847026698	NCEZGMCKAGZUCF-SECBINFHSA-N	320.149	1.809	50	20	DDGD	
O=C(COc1ccccc1F)NN=Cc1cnc2cnccn12	746369881	AEWULVGQPDYRRZ-UHFFFAOYSA-N	313.292	1.398	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@H]1c2c[nH]nc2CC[C@H]1C)C1CC1	912161177	QLIASRMXXAZXRY-JRKPZEMJSA-N	321.450	1.369	50	20	DDGD	
CCOCCNC(=S)NNC(=O)c1ccc(Cl)cc1F	747671922	KKCLQTDGQHBBTQ-UHFFFAOYSA-N	319.789	1.625	50	20	DDGD	
CCC/C=C/C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	744771553	QWUUSGOGFBKYPV-WEVVVXLNSA-N	304.346	1.656	50	20	DDGD	
COCCOCC(C)=NNC(=O)[C@@H](C)Oc1ccc(F)cc1	741161596	BAYRVRIGTPRCDJ-GFCCVEGCSA-N	312.341	1.748	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C[C@H](C)OC)ccc1OC(C)C	749564815	XLHDFKRQZUSPJU-NSHDSACASA-N	324.377	1.668	50	20	DDGD	
CN(C)c1nccc(NNC(=O)CCC(=O)c2ccccc2)n1	740104470	MJCXQYNUIHOHRZ-UHFFFAOYSA-N	313.361	1.649	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=C1CCC(F)(F)CC1	842526834	DSIOKCMQMGPKOK-UHFFFAOYSA-N	300.265	1.112	50	20	DDGD	
COc1cccc(NNC(=O)c2cnc3n2[C@H](C)CCC3)n1	845928848	PCMHOGXALLWAIA-SNVBAGLBSA-N	301.350	1.941	50	20	DDGD	
CCSc1ccc(C(C)=NNC(=O)C(=O)NC2CC2)cc1	755612381	VPKBRZHXQZHMRO-UHFFFAOYSA-N	305.403	1.917	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccccc1C(=O)N1CCCCC1	755447750	RERUXZQRINVGJZ-UHFFFAOYSA-N	318.377	1.875	50	20	DDGD	
N#C/C(=C\c1cccc(-n2cccn2)c1)S(=O)(=O)NC1CC1	756622356	OFBGPAFWINFQPQ-XNTDXEJSSA-N	314.370	1.819	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCC[C@@H](O)c1ccccc1	854186440	ZAEXPJCQXAIOSB-CYBMUJFWSA-N	307.419	1.572	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(Br)cc1F	755372616	ZJGREGQBSJZNSX-UHFFFAOYSA-N	320.118	1.387	50	20	DDGD	
CCC(=NNC(=O)[C@H]1COc2ccccc2O1)c1nccn1C	755483921	KJGOVODIZULNLE-CQSZACIVSA-N	314.345	1.490	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)C1(C#N)CC(C)C1	758154117	CZPDZBJEMQKRGU-UHFFFAOYSA-N	311.345	1.344	50	20	DDGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cn(CC(=O)O)nn2)s1	759083760	KXNVBOXOQLXCGN-WTKPLQERSA-N	302.315	1.523	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)CC[C@@H]1NC(=O)NC1=O	928336625	WENKWSLBEHMDMJ-JTQLQIEISA-N	310.741	1.080	50	20	DDGD	
CCC[C@@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1	858121683	DVGLFLRDKNFAMI-CHWSQXEVSA-N	318.377	1.137	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cnc(-c2ccccc2)nc1	921203597	MZVHPNCXTACVMF-UHFFFAOYSA-N	324.262	1.857	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)Nc1cnns1	755337803	REVJAZZBEBNSQO-UHFFFAOYSA-N	311.754	1.587	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(SC)ccc1[N+](=O)[O-]	854926613	FRVUMEDNIXFIIC-UHFFFAOYSA-N	314.392	1.398	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CO[C@@H](C)C2)c1C	854204940	GBBKBSCFHARJNY-ONGXEEELSA-N	307.350	1.585	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)COc2cc(C)on2)cc1	750185971	ZIHGBHRPWBBDLK-UHFFFAOYSA-N	320.305	1.223	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC(Cc2noc(C)n2)CC1	928349542	RAAAESREWQIYDH-JLHYYAGUSA-N	304.350	1.603	50	20	DDGD	
O=C1NCC[C@H]1C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	855018870	YJGKSLMVHMTCAE-SSDOTTSWSA-N	321.686	1.938	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCC1(N)CCCC1)c1ccccc1	851671826	UYFLHZYGDNDZBM-AWEZNQCLSA-N	318.421	1.782	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cc(C)cc(C(F)(F)F)c1	753839248	ILBNPCRNSAMNNH-UHFFFAOYSA-N	317.267	1.510	50	20	DDGD	
COCCN(C)CCNC(=O)NC[C@@]1(C)C[C@H]1Br	856830548	PCESHDPETIHCLA-ZYHUDNBSSA-N	322.247	1.037	50	20	DDGD	
COC(=O)c1ccccc1CCNS(=O)(=O)CCCCl	921971768	NGBVDPHBJFFFHU-UHFFFAOYSA-N	319.810	1.564	50	20	DDGD	
CON1CCC(NC(=O)NNc2cc(F)ccc2F)CC1	922937945	GNDAKSBWZTXGGR-UHFFFAOYSA-N	300.309	1.617	50	20	DDGD	
CC[C@H](C)[C@@H](CNC(=O)NNC(=O)c1cccc(F)n1)OC	852365304	SNRJWGGOACQJGM-GXSJLCMTSA-N	312.345	1.226	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NCC1CC(C)C1	856818403	PBMRTMPLURONNU-UHFFFAOYSA-N	315.377	1.633	50	20	DDGD	
O=C(COC1CCOCC1)NNc1cc(C(F)(F)F)ccn1	857514243	WKJOYVRCMZFQOL-UHFFFAOYSA-N	319.283	1.739	50	20	DDGD	
CCCN1CC[C@H](NC(=O)NNC(=O)c2cc(C)cs2)C1	858620326	WDJQLBIMGIHRSH-NSHDSACASA-N	310.423	1.485	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)CNC(=O)NNC(=O)C1CCCC1	752699488	BKBBRVYWBSZCAR-VIFPVBQESA-N	308.382	1.916	50	20	DDGD	
COC(=O)c1oc(C=NNC(=O)OCC(F)(F)F)cc1C	853427988	SARKTCRRZGKLHJ-UHFFFAOYSA-N	308.212	1.997	50	20	DDGD	
C[C@@H]1CN(CCC(=O)NNC(=O)[C@@]2(C)CC=CCC2)C[C@@H](C)O1	856758910	PORQNAQATQUWSS-CPUCHLNUSA-N	323.437	1.380	50	20	DDGD	
CN(C)C(=O)NNC(=O)CCCc1ccc2c(c1)OCCCO2	858907194	METATIZNIAMKFV-UHFFFAOYSA-N	321.377	1.473	50	20	DDGD	
Cc1cc(C)n(CCC(=O)NNC(=S)N[C@H](C)C2CC2)n1	751621459	WKCSWTJGRZERBT-LLVKDONJSA-N	309.439	1.184	50	20	DDGD	
C[C@@H]1C[C@H]1c1ccc(C=NNC(=O)C(=O)Nc2ccccn2)o1	758381786	RPDKNUHUCJYVRN-ZYHUDNBSSA-N	312.329	1.887	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)C1(F)CCOCC1	865142680	IMNANTHAWISYBW-UHFFFAOYSA-N	308.353	1.675	50	20	DDGD	
Cc1ccc(C(=O)C(=O)NNCC(F)(F)C(F)(F)F)cc1	863091563	KUHPXRSYOAHGIM-UHFFFAOYSA-N	310.222	1.996	50	20	DDGD	
COc1ccc(C(=O)NN=c2cc[nH]c(C)c2)c(C)c1OC	862514273	WIUCWORTJMMVSQ-UHFFFAOYSA-N	301.346	1.894	50	20	DDGD	
CCCCC=NNC(=O)Cc1csc(N2CCOCC2)n1	864094963	QMPYEYOGPSEJHO-UHFFFAOYSA-N	310.423	1.814	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=Cc1ccc(Cl)s1	763204824	RTEZPBRWBFLKLZ-UHFFFAOYSA-N	322.777	1.677	50	20	DDGD	
Cc1cccc(C)c1NC(=O)C(=O)NN[C@@H](C)C(F)(F)F	862315644	YVARBLOQMUPLAR-VIFPVBQESA-N	303.284	1.814	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](CC(C)C)NC(C)=O)c1	860683076	MGTSRBRRXDRKCN-CQSZACIVSA-N	321.377	1.467	50	20	DDGD	
Cc1cnn(CCC(=O)N(C)NC(=O)OCc2ccccc2)c1	862286580	BEGXAMVREOPRIB-UHFFFAOYSA-N	316.361	1.881	50	20	DDGD	
Cc1cc(C=NNC(=O)CS(C)(=O)=O)c(C)n1CC(C)C	863188321	CIBJAOFZPZSCAT-UHFFFAOYSA-N	313.423	1.256	50	20	DDGD	
O=C(NNC(=O)[C@@]12CCC[C@@H]1C2)c1cnn(-c2ccccc2)c1	932731233	IKISWRFOQKPNNO-CXAGYDPISA-N	310.357	1.824	50	20	DDGD	
COc1cc(C=NNC(=O)c2cc(C)[nH]n2)ccc1OCC#N	764796534	JPHSRLBJAIYXQG-UHFFFAOYSA-N	313.317	1.393	50	20	DDGD	
Cc1ccc(-n2cc(C(=O)NN[C@@H](C)C(F)(F)F)nn2)cc1	862308490	BLNMDALBEQBHAD-VIFPVBQESA-N	313.283	1.761	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2c(F)ccc(C)c2F)n1	766320758	PEEYRGXHWNHLSV-UHFFFAOYSA-N	322.315	1.548	50	20	DDGD	
CC1(CCNC(=O)NNc2ccc(Cl)nc2)OCCO1	760157883	DLZDBXKNHQGNSW-UHFFFAOYSA-N	300.746	1.514	50	20	DDGD	
C[C@@H](NNC(=O)[C@@H]1CCO[C@H]1c1ccncc1)C(F)(F)F	862323103	PINPNNSAUICXPF-IEBDPFPHSA-N	303.284	1.731	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C1CCSc2c(F)cccc21	863188208	QAALPGYOBBVJMP-UHFFFAOYSA-N	316.379	1.186	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)Nc1nc2c(s1)CCCCC2	860321144	XFLCIKDKMLPILD-UHFFFAOYSA-N	320.378	1.602	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)cc1	763273691	OMSGRXGFFVQVHU-QWHCGFSZSA-N	317.389	1.560	50	20	DDGD	
CCO[C@@H]1CCCC1=NNC(=O)[C@H]1COc2ccccc2O1	766430452	LDSAUQKRBNLVTO-IUODEOHRSA-N	304.346	1.888	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)CN1CCCCC1=O	862287773	YZJYTXDBYZUCCX-UHFFFAOYSA-N	319.361	1.299	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2C[C@@]23CCOC3)cc1C	763732435	FLPSXYCWLADTDK-RHSMWYFYSA-N	318.373	1.256	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)Nc1cccnc1	763478081	JVOILGVNCRDCEA-UHFFFAOYSA-N	318.358	1.732	50	20	DDGD	
CCOC(=O)NCC(=O)NNC(=S)Nc1cccc(C)c1	873774664	RLVAMNBABPZBJP-UHFFFAOYSA-N	310.379	1.059	50	20	DDGD	
O=C(NNC(=O)c1cnc(Oc2ccccc2)cn1)NC1CC1	773285376	ROHBKFHRSUHBGU-UHFFFAOYSA-N	313.317	1.375	50	20	DDGD	
CCC(C)(C)NC(=S)NNC(=O)Cc1nc(C)cs1	774155017	YTWAFSKVCZFRQI-UHFFFAOYSA-N	300.453	1.678	50	20	DDGD	
O=C(CO)NN=Cc1sc(Nc2ccccc2)nc1Cl	776780348	HXYLDBQGCCSJMV-UHFFFAOYSA-N	310.766	1.983	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@H]1CCC[C@@H]1OC	774717053	NODVJUHASHBZJJ-YPMHNXCESA-N	321.377	1.454	50	20	DDGD	
CCc1cccnc1C(C)=NNC(=O)C(=O)NC(CC)CC	779772136	MSNCUTBDKOACTO-UHFFFAOYSA-N	304.394	1.789	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H](C)CN2CCC(C)CC2)ncn1	1117735437	GQURRYLUYVRVPG-ZDUSSCGKSA-N	303.410	1.603	50	20	DDGD	
O=C(CN1CCCC2(CC2)C1)NNC(=O)c1cccc(Cl)c1	770700941	NONZHJNAQMWTBZ-UHFFFAOYSA-N	321.808	1.977	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H](C)Oc1ccccc1OC	875320587	VVHFFYLUWCDOFS-SNVBAGLBSA-N	311.338	1.375	50	20	DDGD	
Cc1onc(CC(=O)NNc2ccccc2[N+](=O)[O-])c1C#N	779491194	KOYAVYFNMZSRCN-UHFFFAOYSA-N	301.262	1.449	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cccc(NC(C)=O)c1	872335897	ZVTVBSPBLVELSZ-UHFFFAOYSA-N	304.394	1.827	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)Cc1ccccc1Cl	771973519	FQPPHJVUHUYSDG-VIFPVBQESA-N	312.753	1.372	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](C)Oc1cccc(C(C)=O)c1	887143118	LXABIRFPARFEAB-ZDUSSCGKSA-N	316.357	1.607	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)CN(C)CC(=O)NC(C)C	771713827	RJLLDWDTNXQARU-UHFFFAOYSA-N	310.373	1.034	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C(C)C)nc1	772205557	ARDPHBQXEDPWAR-SNVBAGLBSA-N	307.350	1.308	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)[C@@H]1CCCOC1	779757965	NJSYIUKSRVFOMQ-DOMZBBRYSA-N	304.346	1.745	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNC(=O)NCc1ccco1	772404920	GJWHRQDKACKFON-SECBINFHSA-N	319.365	1.644	50	20	DDGD	
C[C@@H]1CCN(S(=O)(=O)CCCCl)C[C@@H]1n1ccnc1	881986577	NOQGLCDGJLEPFN-NEPJUHHUSA-N	305.831	1.725	50	20	DDGD	
COC(=O)Nc1ccc(NC(=O)NNc2ncccn2)cc1	775521102	QPDDCCDPPYNARE-UHFFFAOYSA-N	302.294	1.804	50	20	DDGD	
CCNC(=O)CC(=O)NNc1cc(Br)ccc1F	885147293	ALRJULKFOFCKDD-UHFFFAOYSA-N	318.146	1.558	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC[C@@H]2CCC=CO2)cc1	780753847	AFISPOQIZPMWJG-AWEZNQCLSA-N	319.361	1.397	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N(CC(F)F)C1CCC1	884125302	VNUXALPNQXFBOZ-UHFFFAOYSA-N	312.320	1.485	50	20	DDGD	
C[C@@H]1C[C@H](CCNC(=O)NNc2ncncc2Cl)CCO1	781015807	ILUBRRAEWXZOLT-NXEZZACHSA-N	313.789	1.961	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12	883139982	GDMQILPFNXLZOO-DKKFBCOVSA-N	315.377	1.245	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NCC(C)(C)C#N	781953824	NUUMNGJIKPUTFL-UHFFFAOYSA-N	318.377	1.508	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2coc(C)c2)cc1	781897856	DBPPSAWYHGOVFB-UHFFFAOYSA-N	303.318	1.470	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H](C)[C@@H]1CCCOC1	780010295	DRDONTOUXXLZPH-VXGBXAGGSA-N	321.377	1.454	50	20	DDGD	
COC1CCC(C(=O)NNC(=O)c2cccc(C#N)c2)CC1	780598300	MSBFMOQJOKKSOD-UHFFFAOYSA-N	301.346	1.524	50	20	DDGD	
Cc1ccc2cc(C=NNC(=O)C(=O)N3CCCC3)ccc2n1	783513437	RHPNPOGRKZVBOP-UHFFFAOYSA-N	310.357	1.616	50	20	DDGD	
CN(C)[C@H]1CCCC(=NNC(=O)c2cc([N+](=O)[O-])ccc2O)C1	788428684	UCNHHQGJIVVMSG-NSHDSACASA-N	320.349	1.890	50	20	DDGD	
COc1ccc(NNC(=O)C[C@H](C)NC(=O)OC(C)(C)C)nc1	781525715	UJXKHCACSJQUKY-JTQLQIEISA-N	324.381	1.837	50	20	DDGD	
O=S(=O)(CBr)Oc1ccc2c(c1)OCCO2	782408775	OOSOVQVOZGADTG-UHFFFAOYSA-N	309.137	1.519	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H](c1ccncc1)C1CC1	899002597	UDJSBXXRLNRJRW-GDLCADMTSA-N	318.377	1.288	50	20	DDGD	
COc1cc(CO)ccc1C(=O)NNC(=S)NC(C)(C)C	899999728	UUFSJLGQWXKULX-UHFFFAOYSA-N	311.407	1.095	50	20	DDGD	
C#CCSCC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	895509612	WHQGRFGLIKEXFR-JTQLQIEISA-N	310.350	1.107	50	20	DDGD	
CCCCCCN(C)CC(=O)NNC(=O)c1cccc(C)n1	794084056	NGIDHGGSBMFZJH-UHFFFAOYSA-N	306.410	1.663	50	20	DDGD	
CO[C@H](Cc1ccccc1)C(=O)NNC(=S)NC(C)(C)C	899997423	SHBPQPISTQVTAV-GFCCVEGCSA-N	309.435	1.538	50	20	DDGD	
C#CCOc1ccc(NC(=O)NNc2nc3ccccn3n2)cc1	792297253	MTPJSIGUBLPCFH-UHFFFAOYSA-N	322.328	1.890	50	20	DDGD	
Cn1c(Cl)cnc1C=NNC(=O)c1ccc2c(c1)OCCO2	799476626	PIGWFPBFFWSYFD-UHFFFAOYSA-N	320.736	1.609	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1)c1cnoc1C	799473788	QCMXKJNIQAJVDX-IJLUTSLNSA-N	322.409	1.569	50	20	DDGD	
CCc1ccnc(CNC(=O)NNc2nc3ccccn3n2)c1	798118692	JYLBYYZNQBEBLB-UHFFFAOYSA-N	311.349	1.513	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2Cc3ccc(F)cc32)nc1	793736434	WSXIHOCYWBJZDB-CYBMUJFWSA-N	315.304	1.790	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1CC[C@H](c2cccc(F)c2)C1	793473372	FMQYFWVIKJVDMZ-JSGCOSHPSA-N	323.368	1.829	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc(C)c(O)c2O)n1	794084680	UQIZIJKDPHQJKH-UHFFFAOYSA-N	301.302	1.184	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCc2csc(C)n2)cc1	1318500235	VKPMBNSRJKWTQE-UHFFFAOYSA-N	319.386	1.854	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CC[C@H](n3cccn3)C2)c1	1328732256	YLOHZACQQIOPDP-NSHDSACASA-N	319.390	1.554	50	20	DDGD	
CN1CCC[C@@H](NS(=O)(=O)c2ccc(CCl)cc2)C1=O	707776050	HSVGRGTWFVVGKK-GFCCVEGCSA-N	316.810	1.325	50	20	DDGD	
CCC(C)(C)N[C@H](C)C(=O)NNc1nncc(N)c1Cl	1320679573	QRBZZRRQHWMTQP-SSDOTTSWSA-N	300.794	1.322	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1c(C)nc2sccn12	1332321102	YFWXYLOSTPCSIT-MNOVXSKESA-N	306.391	1.969	50	20	DDGD	
O=C(CCO)NN=Cc1ccc(Br)cc1[N+](=O)[O-]	1333549095	MNVXRUBASWARDL-UHFFFAOYSA-N	316.111	1.190	50	20	DDGD	
C[C@]1(Cn2nnnc2N2CCCOCC2)C[C@@H]1Br	1336189466	WAKXGERAJYMJEK-GXSJLCMTSA-N	316.203	1.073	50	20	DDGD	
C[C@@H]1CCC[C@H]1CC(=O)NNC(=O)c1n[nH]c2c1CCCC2	1338117758	HLTKYBRIYJAUFG-MNOVXSKESA-N	304.394	1.876	50	20	DDGD	
C#CC[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccccc1	1345733433	QDSXDMIFDDPCID-SNPRPXQTSA-N	315.373	1.506	50	20	DDGD	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNc1nc(C(F)(F)F)cs1	1605023708	YPBBSPNULGWNNU-MOFOKWOHSA-N	309.269	1.716	50	20	DDGD	
COc1ccc(CCC(C)=NNC(=O)NCC(=O)O)cc1O	1607246954	QZVKEZSIZXVXEH-UHFFFAOYSA-N	309.322	1.093	50	20	DDGD	
Cc1cccc2ncc(C(=O)NNc3ccc(C(=O)O)cn3)n12	1600560444	MTPJMXCEKYURQV-UHFFFAOYSA-N	311.301	1.493	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)C2(Nc3ccccc3)CC2)nc1	1602382227	BJFOCZWGDHHLEC-UHFFFAOYSA-N	312.329	1.868	50	20	DDGD	
CC(=NNC(=O)[C@]1(C)CCCO1)c1ccc(-c2nn[nH]n2)cc1	1609060297	HUORSTJNHOSVFC-HNNXBMFYSA-N	314.349	1.276	50	20	DDGD	
CO[C@H]1CCCC(=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	1609314194	FARZOOSTNIWPCY-ZDUSSCGKSA-N	314.349	1.542	50	20	DDGD	
CCc1c(C(=O)NNc2ccc(C(=O)O)cn2)cnn1CC	1605780146	FCEFXFACWJWRQO-UHFFFAOYSA-N	303.322	1.316	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)C1(C(=O)O)CC2(CCC2)C1	1601242220	GDTSBQYRQSOKOW-UHFFFAOYSA-N	308.256	1.121	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1ccc(C(=O)O)cn1	1601555507	FCJLOSKAZTWISA-UHFFFAOYSA-N	300.274	1.246	50	20	DDGD	
CC(C)[C@@H](C(=O)O)C(=O)NNc1ccnc(Br)c1	1602970082	KSKPEXZYKNJDOW-SECBINFHSA-N	316.155	1.644	50	20	DDGD	
CC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)CN)C2	1800070361	DQPPJJXTJLUAJI-WJTVCTBASA-N	315.845	1.237	50	20	DDGD	
Cc1cccc2c1CCC2=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549320319	ZDQNKXZIQZSJPE-GUYCJALGSA-N	313.401	1.625	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)CC1	1475130355	UQLVQUJGCYJRCX-UHFFFAOYSA-N	323.305	1.105	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@@H]2CCCN2C2CC2)ccc1F	1610814643	TZHHQYUGMIWVKD-ZDUSSCGKSA-N	307.325	1.594	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@@H]1C=NNC(=O)c1cc(C)[nH]n1	1552761457	VCYASKYKWDQKDD-YPMHNXCESA-N	316.365	1.428	50	20	DDGD	
Cn1cc([C@H]2OCCC[C@@H]2C=NNC(=O)c2ccccn2)cn1	1552447862	MSYNZKJVMBHNHC-DOMZBBRYSA-N	313.361	1.699	50	20	DDGD	
C[C@]1(C(=O)NC[C@@H]2C[C@@H]3CC[C@H](C2)N3)C[C@H]1Br	1576342218	RHZKUGYCKBBDHN-TUTUZKQUSA-N	301.228	1.807	50	20	DDGD	
CCCCc1ccc(CC(=O)NNC(=O)[C@H]2CCCNC2)cc1	1577475581	JSHCABKHYFVXML-INIZCTEOSA-N	317.433	1.719	50	20	DDGD	
N[C@@H](CCC(=O)NNC(=O)c1ccnnc1)CC1CCCCC1	1580128356	SNWWQQABFQTDMI-AWEZNQCLSA-N	319.409	1.316	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNC(=S)NCC2CCC2)c1	1594288302	IYQPIBZROYUWDJ-UHFFFAOYSA-N	321.402	1.602	50	20	DDGD	
Cc1oc(C=O)cc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1592508382	AFASNTVREIFLIA-UHFFFAOYSA-N	312.289	1.338	50	20	DDGD	
O=C(CCOCc1ccccc1)NNc1ncccc1C(=O)O	1594688164	KEMIXQWMWQIVSG-UHFFFAOYSA-N	315.329	1.830	50	20	DDGD	
COc1ccc(C)c(C=NNC(=O)c2cn[nH]c2)c1C(=O)O	1776093707	GNTBOTRVLIGNMM-UHFFFAOYSA-N	302.290	1.189	50	20	DDGD	
CC(=NNC(=O)c1cccc(C(=O)O)c1)c1cc(O)ccc1O	1776094737	JMFKBFCQKLSRPG-UHFFFAOYSA-N	314.297	1.950	50	20	DDGD	
O=C(O)c1cnc(Cl)cc1C=NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	1776090805	BBYNSTKBPFOXJR-WCABBAIRSA-N	323.736	1.451	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cc(Br)ccc1F	15794127	AILGDSKDPFEORJ-UHFFFAOYSA-N	301.115	1.759	50	20	DDGD	
CCCC(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12	17196695	GIZMEECNVDGBQG-UHFFFAOYSA-N	316.361	1.539	50	20	DDGD	
COC(=O)NNC(=O)Cc1coc(-c2ccc(Cl)cc2)n1	158805702	HNCCCUYCIKPDLN-UHFFFAOYSA-N	309.709	1.925	50	20	DDGD	
Cc1nc(Cl)ccc1C(=O)NNC(=O)NCC(F)(F)F	151660814	KCXWTSDMPPZVJF-UHFFFAOYSA-N	310.663	1.550	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)NCCC1CCC1	152067735	HLQQVJZKNNOKHK-UHFFFAOYSA-N	309.341	1.725	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)Cc1c[nH]c2ncccc12	153215610	UJPOHIYJOHZREX-UHFFFAOYSA-N	323.356	1.365	50	20	DDGD	
Cc1ccc2c(CC(=O)NNC(=O)c3cc(C)n[nH]3)coc2c1	153215767	BJBPVQHHVLTMRP-UHFFFAOYSA-N	312.329	1.776	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Cn2cc(C3CC3)nn2)cc1	157509207	CKEOTRAKCFPLRC-UHFFFAOYSA-N	313.361	1.179	50	20	DDGD	
CS(=O)(=O)C[C@H]1CCN(C[C@H](CBr)C2CC2)C1	859313124	IMIWHZNECIBAIC-JQWIXIFHSA-N	324.284	1.774	50	20	DDGD	
CO[C@@H](C)C(=O)NNC(=O)c1ccc(COc2ccccc2)o1	55411330	SGMOXVYPIIVWIV-NSHDSACASA-N	318.329	1.655	50	20	DDGD	
Cc1ccc(O[C@H](C)C(=O)NNc2nnc(C)c(O)n2)cc1	23309587	NOQDWVWJUVUCJH-SNVBAGLBSA-N	303.322	1.105	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1ccc2nccn2c1	178871218	SMASJPYVCCNPPW-UHFFFAOYSA-N	322.250	1.900	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@H]2CCCN(C)C2)cc1	108588837	KCXNFRWUIRYZCZ-CQSZACIVSA-N	318.421	1.535	50	20	DDGD	
CCn1c(NNC(=O)[C@H]2C[C@@H]2C2CC2)nc2ccccc2c1=O	177829856	WUPHDQNTJGSBME-OLZOCXBDSA-N	312.373	1.906	50	20	DDGD	
COc1ccc(OC)c(CCC(=O)NNC(=O)NC2CC2)c1	64427805	LRNVSMZOMNACSG-UHFFFAOYSA-N	307.350	1.129	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCSc1ccc(F)cc1	67994546	CJGJEDLTKYECPP-UHFFFAOYSA-N	322.365	1.801	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CC[C@H]2CCCCO2)cc1	110672260	WSWPSSLBRJJXHN-CQSZACIVSA-N	301.346	1.669	50	20	DDGD	
CC1=NN(c2ccc(C(=O)NNC(=O)NCC3CC3)cc2)CC1	65192031	JXEMUXWHKZIYBD-UHFFFAOYSA-N	315.377	1.627	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cn2ccc3ccccc32)n1	174475882	BDIVAAHDEYNSKY-UHFFFAOYSA-N	311.345	1.892	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNC(=O)c1ccc(Cl)cc1	27638506	XECHQJDMANQQBU-UHFFFAOYSA-N	311.769	1.263	50	20	DDGD	
CSC[C@H](C)C(=O)NNC(=O)COc1cc(C)ccc1C	66817246	ZDHZKIWFIQMFFM-LBPRGKRZSA-N	310.419	1.829	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1ccc(N2CCCC2)nc1	124403041	LBGFOMAYSGGNFU-UHFFFAOYSA-N	319.409	1.558	50	20	DDGD	
COc1ncccc1NC(=O)C(=O)NNc1c(C)cccc1F	187448566	DQEKLIMTDFDQDZ-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
COc1ccnc(C(=O)NNc2ccc(C(F)(F)F)nn2)c1	124255872	MSNKZNVLWKZHEM-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
O=c1[nH]c2cc(NS(=O)(=O)CCCCCl)ccc2o1	184764182	OYCSOOCAJMTYBL-UHFFFAOYSA-N	304.755	1.882	50	20	DDGD	
N#CC(C#N)=CNNC(=O)COc1cccc(C(F)(F)F)c1	78608173	KPKDOHIJKANWQE-UHFFFAOYSA-N	310.235	1.636	50	20	DDGD	
Cc1ccc([C@@H](CNC(=O)NNc2cccnn2)N(C)C)cc1	77662182	OMZAQACGLQCPAJ-CQSZACIVSA-N	314.393	1.714	50	20	DDGD	
CCc1cc(C(=O)NNC(=S)Nc2ccccc2OC)[nH]n1	121169001	XEMHZRPHMZWCBR-UHFFFAOYSA-N	319.390	1.612	50	20	DDGD	
C[C@@H](CO[C@H]1CCOC1)NC(=O)NNc1cc(Cl)ccn1	181446364	BCEXMLNWNIDXGD-ONGXEEELSA-N	314.773	1.555	50	20	DDGD	
CC(C)(C)c1nc2ccc(NC(=O)NNC(=O)CO)cc2s1	186235733	QJZIJMLUMPNNJX-UHFFFAOYSA-N	322.390	1.739	50	20	DDGD	
O=C(CCn1ccccc1=O)NNC(=O)c1c[nH]c2ccccc12	73843459	ZXBWIIQNRCYNQH-UHFFFAOYSA-N	324.340	1.181	50	20	DDGD	
CC(C)c1ccccc1NC(=O)NNC(=O)Cc1cc[nH]n1	182734945	CTOWSSORNUXPBC-UHFFFAOYSA-N	301.350	1.929	50	20	DDGD	
CC[C@H](NC(=O)NNc1nc2ccccn2n1)[C@H]1CCCO1	189678842	WKHMJRHEPFVMLZ-WDEREUQCSA-N	304.354	1.313	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1O	185385341	VZPDHJKWBOINIE-UHFFFAOYSA-N	318.245	1.966	50	20	DDGD	
CC[C@@H](C)[C@@H](C(=O)NNC(=O)C(=O)NC1CC1)c1ccccc1	72937600	SUJMMCYAKNTHHG-BXUZGUMPSA-N	317.389	1.242	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)c2c(C)nc3ccccn23)o1	72825282	NWHQPQPPNOATRL-UHFFFAOYSA-N	313.317	1.322	50	20	DDGD	
COC(=O)C[C@H]1CN(C(=O)c2cccc(CCl)c2)CCO1	133038380	UJOACDKJBUEBMW-ZDUSSCGKSA-N	311.765	1.830	50	20	DDGD	
COc1cccc(C(=O)NNc2ccnc(F)c2)c1[N+](=O)[O-]	192858742	ZWPSOBKDWAFKKO-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1cnc(-c2ccccc2)nc1	194755301	MPYBXIYRKJKEMN-UHFFFAOYSA-N	322.328	1.938	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)[C@@H]1CCCO1)Cc1cccc(F)c1	81256699	SIQIKKKISVCBGN-FZMZJTMJSA-N	308.353	1.721	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)c1cccc(OC(F)F)c1	130379817	IAGLTEHAJNEREM-UHFFFAOYSA-N	316.304	1.722	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCc2ccn(C)c2)c1	81508771	CEFJXZYWQXWWGK-UHFFFAOYSA-N	316.361	1.243	50	20	DDGD	
CC1CCN(CCNC(=O)NNc2nc3ccccn3n2)CC1	190991424	IRFZCBRLTNQSLM-UHFFFAOYSA-N	317.397	1.087	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)Cc1cccc(C(F)(F)F)c1	190073712	HFPYIJSWTMVHAO-UHFFFAOYSA-N	304.268	1.166	50	20	DDGD	
Cc1ccc2cc(C(=O)NNC(=O)N3CCOCC3)[nH]c2c1	194905224	YXAFXTDPSOXLMB-UHFFFAOYSA-N	302.334	1.163	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1csc(-c2ccccn2)n1	193338707	ZMNZOCJSNUVHHK-DHZHZOJOSA-N	314.370	1.875	50	20	DDGD	
CN(C)C(=O)NNC(=O)/C=C/c1ccccc1OC(F)(F)F	194919002	JWAIRUIZTNXWII-BQYQJAHWSA-N	317.267	1.901	50	20	DDGD	
O=C(NN=Cc1cc(Br)ccc1O)c1ccn[nH]1	252639027	YHKIZUGNSFLZRL-UHFFFAOYSA-N	309.123	1.642	50	20	DDGD	
CC(C)COc1ncccc1C(=O)NNC(=O)c1ccccn1	264174813	WULKLUOOBAQQLB-UHFFFAOYSA-N	314.345	1.586	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CCCC(=O)N(C)C	266830674	LWHVJICOCCOGKG-UHFFFAOYSA-N	310.306	1.767	50	20	DDGD	
Cc1c(NNC(=O)CN2CCSC2=O)cccc1[N+](=O)[O-]	269597351	IUGZAWOTFFFJEK-UHFFFAOYSA-N	310.335	1.515	50	20	DDGD	
CC[C@@H](C)[C@@H](O)CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	268596750	LTKRFZGOJHLTDZ-GTCUHMIMSA-N	314.389	1.635	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)Cc2ccccc2OC)O1	268291055	YOXPGSHAIHFGNJ-GXTWGEPZSA-N	306.362	1.343	50	20	DDGD	
C[C@@H]1COCCN1C(=O)NNC(=O)C(C)(C)c1ccccc1	264643865	CHNPTBKJFUPBDI-GFCCVEGCSA-N	305.378	1.426	50	20	DDGD	
COC(=O)COc1ccc(C=NNC(=O)c2ccc(C)o2)cc1	263622397	XDSBVANUVBJFIL-UHFFFAOYSA-N	316.313	1.904	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NC[C@@]1(C)CCO[C@H]1C1CC1	368658447	IZLALNPLAJKUSD-XHDPSFHLSA-N	313.398	1.931	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CCc1ccsc1	276656277	ZSYIMEJOMPGSHT-UHFFFAOYSA-N	314.407	1.617	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)NNc2cccc([N+](=O)[O-])c2)C1	366687975	IXNRYJLVDCUGLZ-AWEZNQCLSA-N	306.322	1.296	50	20	DDGD	
CCSc1cccc(NC(=O)C(=O)NNC(=O)C2CCC2)c1	274123601	TXFBSQPJQXTZQN-UHFFFAOYSA-N	321.402	1.685	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H]1COc2cc(C)c(C)cc21	274430438	DSUSAAWZDBVMNY-CYBMUJFWSA-N	321.377	1.146	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H](NC(=O)NNc2cccc([N+](=O)[O-])c2)C1	279795993	WENVHUWBQDZASA-VHSXEESVSA-N	322.321	1.563	50	20	DDGD	
Cc1cc(Br)ccc1CC(=O)NNC(=O)C1CC1	272245220	UHSZBMVQFMFIQZ-UHFFFAOYSA-N	311.179	1.857	50	20	DDGD	
CC[C@@H](C)[C@@H](NC(=O)NNC(=O)c1cccn1C)C(F)(F)F	278687527	PNCYABKSKZWABN-PSASIEDQSA-N	320.315	1.946	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCC(=O)c1ccc(OCC)cc1	271262040	JAZDZKJDERCAJB-UHFFFAOYSA-N	321.377	1.741	50	20	DDGD	
COc1ccc(Cl)cc1S(=O)(=O)NNC(=O)C(C)(C)C	278582005	SAFSHUKVMTVWGI-UHFFFAOYSA-N	320.798	1.704	50	20	DDGD	
CCCOc1cccc(NC(=O)C(=O)NNC(=O)CC(C)C)c1	274147088	KLLQXGMATWBQSS-UHFFFAOYSA-N	321.377	1.607	50	20	DDGD	
C[C@H](Sc1nnnn1C1CC1)C(=O)N1CC=C(C#N)CC1	273657358	BVMZHXDODVEPFY-VIFPVBQESA-N	304.379	1.171	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(COC)cc1	276553268	KNXJWUVKELNMAR-UHFFFAOYSA-N	324.377	1.383	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NNc1nc(O)c2ccccc2n1	281338630	BIEHGWVCNVQSBJ-UWVGGRQHSA-N	314.345	1.784	50	20	DDGD	
O=C(NNc1ncccc1F)[C@@H]1CC(=O)N(CC(F)(F)F)C1	285896658	HHLOUHTVZSYGLC-SSDOTTSWSA-N	320.246	1.075	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)NNC(=O)COc1ccc(F)cc1	281369913	WQAZHLNZGFUUKM-YGRLFVJLSA-N	322.336	1.357	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C(C)(C)N2CCOCC2)c1	283764845	KTPOJAPSNIFBKD-UHFFFAOYSA-N	321.377	1.027	50	20	DDGD	
COCCCn1nccc1/C=C(\C#N)C(=O)NC[C@H]1CCCO1	282633665	KHUJKNHVZSTJFT-NRMKIYEFSA-N	318.377	1.122	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H](C)Oc2ccc(C=O)cc2)n1	285604672	WEGCZEFJNNODRF-GFCCVEGCSA-N	314.345	1.817	50	20	DDGD	
O=C(NNC(=O)c1cc(F)cc2[nH]nnc12)NC1CCCCC1	282102173	PHPCKFPGMRSBFS-UHFFFAOYSA-N	320.328	1.374	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNC(=O)OC(C)(C)C)c1nncn1C	288573065	WQRYIUWGPGRDDU-SECBINFHSA-N	312.374	1.251	50	20	DDGD	
O=C(CN1CCC[C@@H]1c1cccnc1)NNC(=O)c1ccccc1	805747393	BXVMBQIUWKGSJY-MRXNPFEDSA-N	324.384	1.680	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(OC[C@H]2CCCO2)cc1	299392813	RVGJOSFUBZDXHD-CYBMUJFWSA-N	307.350	1.160	50	20	DDGD	
O=C(CCCn1ccccc1=O)NNC(=O)Nc1ccccc1	801990005	RJBLBSLMJOAUAJ-UHFFFAOYSA-N	314.345	1.481	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1)C1CCC1	294581589	KVCRMQZPFTXJOI-NSHDSACASA-N	317.172	1.974	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1	805379370	XJTFRFSZUTWERK-SNVBAGLBSA-N	318.333	1.357	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1csc(NC2CC2)n1	295280826	CQESZLVZEBZTDG-JTQLQIEISA-N	310.379	1.048	50	20	DDGD	
C#CCN(C)CCCNC(=O)NNc1cccc([N+](=O)[O-])c1	297590962	VBDYRHUUFLYBKT-UHFFFAOYSA-N	305.338	1.176	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNc1ncncc1F)c1ccsc1	292458016	OMLQVHSQDISPRO-LLVKDONJSA-N	324.385	1.606	50	20	DDGD	
C[C@H](CBr)COC(=O)c1ccoc1CC(N)=O	803944440	SUPNVOAOCGWYSG-SSDOTTSWSA-N	304.140	1.495	50	20	DDGD	
O=C(NNc1nccc(N2CCOCC2)n1)C1=CCCCC1	290630065	XVYITYFVOPLQQP-UHFFFAOYSA-N	303.366	1.257	50	20	DDGD	
COc1ncnc(N(C)C)c1NC(=O)NNc1ncccc1F	806352885	DQPILDUWQQXILP-UHFFFAOYSA-N	321.316	1.234	50	20	DDGD	
COCCN(C)NC(=O)c1cccc(OCC(F)(F)F)c1	297175121	UBJVECCYQJDTNH-UHFFFAOYSA-N	306.284	1.851	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H](O)C12CCCC2)c1ccccc1	292536608	QHCNZHLJGQIXEI-ZDUSSCGKSA-N	303.362	1.420	50	20	DDGD	
CN(C)CCn1nccc1NC(=O)NNc1cccc(Cl)n1	297582948	YTSYYWSPJDYRIY-UHFFFAOYSA-N	323.788	1.642	50	20	DDGD	
C[C@H](CCc1ccc(O)cc1)NC(=O)NNC(=O)[C@@H]1CCCO1	291641393	JVTFJCVSYPAKQT-RISCZKNCSA-N	321.377	1.223	50	20	DDGD	
O=C(COC(F)F)NNC(=O)c1cc(-c2cccs2)[nH]n1	802937498	WLGYNFFJVMXJBR-UHFFFAOYSA-N	316.289	1.138	50	20	DDGD	
CCNC(=O)C(C)(C)CNC(=O)NNc1cccc(Cl)n1	293018639	MMROQJFLWSELNJ-UHFFFAOYSA-N	313.789	1.523	50	20	DDGD	
Cc1nc(C(C)C)oc1C(=O)NNC(=O)NCc1ccco1	292168183	LMYYYHWLXLNFAL-UHFFFAOYSA-N	306.322	1.844	50	20	DDGD	
CC/C=C/CNC(=O)NNC(=O)COc1ccccc1CC	298189681	SJHMWUUBGXKYLX-VMPITWQZSA-N	305.378	1.924	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H]1CCc2nccn2C1	805383287	VFECZGRITPWTEJ-NSHDSACASA-N	315.333	1.805	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1cnn2ncccc12	803429075	MPMNNGQEIPYOJX-UHFFFAOYSA-N	320.312	1.328	50	20	DDGD	
COc1ccc([C@H](C)CC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	294335863	SYDWZFSXXFTOAO-XUJVJEKNSA-N	320.389	1.904	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1n[nH]c(C)c1[N+](=O)[O-]	805379071	QVMIMRZPJGZKKY-UHFFFAOYSA-N	320.265	1.600	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1cc2ccccn2n1	806648320	VUEFDRLIKCCEDD-UHFFFAOYSA-N	310.317	1.125	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2ccc3c(=O)[nH]ccc3c2)CCOC1	806801123	RELIPJGQIGHROQ-INIZCTEOSA-N	316.361	1.581	50	20	DDGD	
C[C@@H](C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CCCCC1	814816106	NLFBQQSIUFGPCO-WCQYABFASA-N	315.439	1.675	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccccc1O[C@@H]1CC(=O)N1	817708282	WJYCSJMYCPBAPB-ATWMFIQVSA-N	301.302	1.294	50	20	DDGD	
Cc1cnn([C@H]2CCN(C(=O)NNC(=O)C3CCCC3)C2)c1	811910256	YUOODAIDTPYIAE-ZDUSSCGKSA-N	305.382	1.369	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CCc1ncccn1)c1ccccc1	812503754	AMGCMKXUBACCAH-UHFFFAOYSA-N	312.373	1.534	50	20	DDGD	
C[C@H](CBr)CN[C@@H](C1CC1)[C@]1(CO)CCCO1	815289812	CKRFLLIJWHVWGW-KGYLQXTDSA-N	306.244	1.927	50	20	DDGD	
Cn1nncc1NNC(=O)[C@@H]1COc2ccc(Cl)cc2C1	816771907	FSHGAIHIGXLBPT-VIFPVBQESA-N	307.741	1.163	50	20	DDGD	
CC(=NNC(=O)Cn1c(C)nc2ccccc21)c1c[nH]nc1C	814729978	HDLFKHVOUUQEIT-UHFFFAOYSA-N	310.361	1.917	50	20	DDGD	
C=CCNC(=S)NNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-]	814207264	CWVDIOWNAXESAI-UHFFFAOYSA-N	322.390	1.554	50	20	DDGD	
CCc1nc(C)c(CNC(=O)NNC(=O)Cc2ccncc2)o1	813874947	GFJZATOGZRYTRN-UHFFFAOYSA-N	317.349	1.014	50	20	DDGD	
COC(=O)[C@@H]1C[C@H]2CC(=NNC(=O)Cc3cccnc3)[C@H]1C2	817326944	ZWHIYLNYWKKFBO-RWMBFGLXSA-N	301.346	1.315	50	20	DDGD	
Cn1c(C(=O)NNc2nc3ccccc3n2C)ccc1[N+](=O)[O-]	816577361	JGXXERNGDPMPRP-UHFFFAOYSA-N	314.305	1.577	50	20	DDGD	
COCCCNC(=O)NN=C1COc2c1ccc(OC)c2OC	814819332	GOSMDADBMUTVJQ-UHFFFAOYSA-N	323.349	1.136	50	20	DDGD	
O=C(NNc1nc[nH]n1)[C@@H](OC1CCCC1)c1ccccc1	816632165	WWFDYUBVALLNLO-ZDUSSCGKSA-N	301.350	1.948	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=S)NCCc1ccccc1	728800108	YNEWROVDHCYBEK-UHFFFAOYSA-N	314.414	1.362	50	20	DDGD	
CC[C@@](C)(NCC(=O)NNC(=O)C(C)C)c1nc(C)cs1	828353036	VONADHYAEDZUQI-CQSZACIVSA-N	312.439	1.470	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H]1CCCCN(C)C1=O	822666893	NVEKQJKVSQFMLI-LBPRGKRZSA-N	318.377	1.406	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccnn1-c1ccc(F)cc1	490693666	JMLGXPYQLFDVAL-BENRWUELSA-N	314.320	1.681	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccccc1OCc1ccncc1	823977534	ZFCSMDCLCCKVHD-ZDUSSCGKSA-N	315.373	1.618	50	20	DDGD	
CCC[C@@H](CC)C(=O)NNC(=O)CNC(=O)OC(C)(C)C	821756582	ONGSCFMBQDBKFY-SNVBAGLBSA-N	301.387	1.485	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)NCCOCCF	824330406	CFOHZVDSRGUFTP-UHFFFAOYSA-N	322.340	1.027	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(C(F)(F)F)nn1C	826135790	RPPXAHFSMKATND-UHFFFAOYSA-N	308.264	1.137	50	20	DDGD	
Cc1noc([C@@H](C)NC(=O)NNC(=O)CCc2ccccc2)n1	726279027	MBGHTUCCXOWGLP-SNVBAGLBSA-N	317.349	1.402	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@H]1CCCCN1C(=O)c1ccccc1	823977003	MFIYPDPPFWIPLV-UKRRQHHQSA-N	319.405	1.025	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C(C)[C@H](C)OC	497213187	HYYWDAOSDBXISW-RYUDHWBXSA-N	311.382	1.430	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NN(C)C(=O)OC	496687217	ZKKOTYLIYOZNDB-JTQLQIEISA-N	317.386	1.751	50	20	DDGD	
N#Cc1csc(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)c1	822846312	WCCBUQGCPKFERZ-UHFFFAOYSA-N	323.341	1.564	50	20	DDGD	
CSCc1ccc(CNCc2cccc(B(O)O)c2)cc1	585041538	YXYDSIKVMINMTI-UHFFFAOYSA-N	301.220	1.519	50	20	DDGD	
CC[C@@H](C)Oc1cc(C=NNC(=O)CN(C)C)ccc1OC	727647841	KMJMWFZCPRMMCS-GFCCVEGCSA-N	307.394	1.884	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc(Cl)nc1	826448884	QMHDSZXVHVRSGB-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)/C=C\c2cccnc2)c1	492330203	MYRLFYPXZFQOMX-FPLPWBNLSA-N	317.370	1.642	50	20	DDGD	
C[C@]1(C(=O)NC[C@H]2COC3(CCCC3)O2)C[C@H]1Br	907214501	OYOXRPYRFMLMJN-UMNHJUIQSA-N	318.211	1.962	50	20	DDGD	
OB(O)[C@@H]1CCN(c2ncc(Cl)cc2Br)C1	585072481	AZVYBYDYZUNEKI-ZCFIWIBFSA-N	305.368	1.551	50	20	DDGD	
Cc1cc(N2CCCC2)ccc1NCc1ccc(B(O)O)o1	585011903	AETJEQFUVSOURS-UHFFFAOYSA-N	300.167	1.480	50	20	DDGD	
CCOC(=O)C(CC)(CC)NC(=O)/C(C#N)=C\c1cnn(C)c1	491107341	UYRTWNJFWOYHIK-JYRVWZFOSA-N	318.377	1.565	50	20	DDGD	
CCCOc1ccc([C@H](C)NCc2ccc(B(O)O)o2)cc1	585019241	HDYWNZVGWAXVRX-LBPRGKRZSA-N	303.167	1.599	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(N2C[C@H](C)O[C@H](C)C2)ccn1	496392839	OOUXMFWRWDXJKL-PHIMTYICSA-N	322.365	1.038	50	20	DDGD	
CCn1cc(C=NNC(=O)c2c(C)nc3ccccn23)c(C)n1	901129526	CWSCHNTWZSNSCI-UHFFFAOYSA-N	310.361	1.931	50	20	DDGD	
CC(C)(C(=O)OCC(=O)NNC(=O)c1cccs1)C1CCC1	838158839	YKPVLHIQDCGIPD-UHFFFAOYSA-N	324.402	1.879	50	20	DDGD	
O=C(/C=C\c1cccnc1)NNC(=O)CCOc1ccccc1	491291752	SQBBZDNAKUWLJV-HJWRWDBZSA-N	311.341	1.711	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2ccc3c(c2)OCO3)CCCCO1	837312025	YCJFOKXFGATCNK-HNNXBMFYSA-N	306.318	1.136	50	20	DDGD	
CN(NC(=O)N[C@H]1C[C@H]2CCCCN2C1=O)c1ccccc1	836691504	QYYJWAOAKBGQGW-KGLIPLIRSA-N	302.378	1.490	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)C[C@@H]1OCCc2ccccc21	732198911	HWUKELHYNAILOC-WFASDCNBSA-N	319.405	1.178	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1F	831682739	IGAZTAQIRVVVDB-RKDXNWHRSA-N	311.313	1.412	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccccc1OC1CCC1	833250182	DKPLLYNCFXTJFF-HNNXBMFYSA-N	318.373	1.948	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCCC[C@H]1Cc1ccccc1	584937569	VVEMGKYLOSRVOX-SFHVURJKSA-N	323.201	1.604	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC1CCC(C(=O)O)CC1	738756944	REYRQXLCIQYYQB-UHFFFAOYSA-N	319.361	1.582	50	20	DDGD	
C[C@H](NCc1cccc(B(O)O)c1)c1ccc2c(c1)CCC(=O)N2	585040670	PDKZNMCZEATGER-LBPRGKRZSA-N	324.189	1.102	50	20	DDGD	
C[C@]1(C(=O)N2CCS[C@@H]3COCC[C@@H]32)C[C@H]1Br	907053031	ADZSDJYPYNVHGH-XNDJQWLSSA-N	320.252	1.893	50	20	DDGD	
COc1cc(F)ccc1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	831202480	GZHIPIAVRJNPPP-SCZZXKLOSA-N	311.313	1.412	50	20	DDGD	
O=C(COCC1CCCC1)NNc1nc(-c2ccncc2)no1	836574097	UPVZSWBNUJALDZ-UHFFFAOYSA-N	317.349	1.782	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@@]2(C)CCOC2)cc1	733351351	APYYFVRRSJZQSB-MRXNPFEDSA-N	305.378	1.620	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)COc1ccccc1F	739678805	KAMNSARGGCSITC-UHFFFAOYSA-N	307.281	1.216	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCSC[C@@H]1C1CC1	831778521	QVKFKIPITUJIPQ-DGCLKSJQSA-N	313.467	1.396	50	20	DDGD	
COCCCNC(=O)NN=Cc1nc2ccccc2nc1C	834946527	QPZOQHDPFNUABB-UHFFFAOYSA-N	301.350	1.608	50	20	DDGD	
C[C@H](C(=O)NN(C)C[C@@H](C)O)c1cccc(Br)c1	910148817	YCTIPPRYARXSEL-ZJUUUORDSA-N	315.211	1.896	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cccc(Nc2ccccc2)c1	735686229	NJKISPPFBOKUBK-UHFFFAOYSA-N	312.373	1.753	50	20	DDGD	
O=C(COC(=O)C#CC1CC1)NNC(=O)c1ccc(Cl)cc1	838372137	NTUININMDUYIGZ-UHFFFAOYSA-N	320.732	1.058	50	20	DDGD	
C[C@@H](Oc1cccnc1)C(=O)NNc1cccc(C(=O)O)c1	833541231	AHBZIVAJLWFTMR-SNVBAGLBSA-N	301.302	1.690	50	20	DDGD	
CC[C@@H]1C[C@H]1CNC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	838665903	QGSQROCOJFRMPK-UTUOFQBUSA-N	323.368	1.970	50	20	DDGD	
CNC(=O)NNS(=O)(=O)c1ccc(OC2CCCC2)cc1	919962353	DVBGBUXSSWABJO-UHFFFAOYSA-N	313.379	1.130	50	20	DDGD	
CO[C@H]1COCC[C@H]1CNC(=O)NNc1cccc([N+](=O)[O-])c1	838659095	PSNJIIBHHTVZIX-GWCFXTLKSA-N	324.337	1.272	50	20	DDGD	
C#CCOc1ccccc1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	831695262	RVSITYQQJJMXTA-NWDGAFQWSA-N	317.345	1.276	50	20	DDGD	
COC(C)(C)CNC(=O)NNC(=O)COc1ccc(C)cc1	745889270	DWVXJAYCXCJCJQ-UHFFFAOYSA-N	309.366	1.129	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1cccc(F)c1	916362765	ODASMPXJGLVJSM-LBPRGKRZSA-N	307.369	1.634	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCC(O[C@@H]2CCOC2)CC1	749111056	BXVGELOVCJFSTF-GFCCVEGCSA-N	313.398	1.043	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C[C@H]2CCCO2)c1	844288532	VYQBIGGSRBBHEX-LLVKDONJSA-N	308.334	1.034	50	20	DDGD	
O=C(CCc1nc2ccccc2o1)NNC(=O)Cc1ccncc1	747324022	WRHGLAZUXAAYAD-UHFFFAOYSA-N	324.340	1.546	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1cccc(-n2cnnc2)c1	842548870	DDDOIRXTBVTLBB-WFASDCNBSA-N	313.361	1.533	50	20	DDGD	
CC[C@H](C(=O)NNc1cc(O)nc2ncccc12)N(CC)CC	913992780	IENKXJVFBSKVGS-CYBMUJFWSA-N	317.393	1.899	50	20	DDGD	
CC(=NNC(=O)c1ccnc(N(C)C)c1)c1cc2n(n1)CCC2	841624733	WBJNSIQHXITOKK-UHFFFAOYSA-N	312.377	1.444	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccc(-n2cccn2)cc1	918365619	HLEQCYLVMQHRKW-UHFFFAOYSA-N	312.251	1.586	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)CC(F)(F)F)C1CCOCC1	746426115	MDLTZKHEBDJJKJ-VIFPVBQESA-N	311.304	1.474	50	20	DDGD	
CC(C)(C)C(=O)NCCNC(=O)NNc1cc(F)ccc1F	915757342	BJTXGESXXGYFBR-UHFFFAOYSA-N	314.336	1.753	50	20	DDGD	
O=C(COCc1ccccc1)NN=Cc1ccc(C(=O)O)[nH]1	749813720	AOJOPALFKNQCGY-UHFFFAOYSA-N	301.302	1.380	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=Cc1c[nH]c2ncccc12	747638218	NMEHKQYCYOSZLS-UHFFFAOYSA-N	318.340	1.903	50	20	DDGD	
CCCC[C@H]1CCC[C@H]1NC(=O)NNC(=O)c1ncccn1	841577496	DKYQNRIVKDBYPP-NWDGAFQWSA-N	305.382	1.780	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1ccnn1-c1ccc(F)cc1	842561451	QWUXDSPXDZJACJ-NHYWBVRUSA-N	316.336	1.887	50	20	DDGD	
CN(C)C(=O)NNC(=O)Cc1csc(-c2ccccc2)n1	746008239	JNJCGOIMNBAGOR-UHFFFAOYSA-N	304.375	1.655	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	748722203	NPBGEHYENIILFD-UHFFFAOYSA-N	314.729	1.606	50	20	DDGD	
Cc1c(NNC(=O)NC[C@H]2CCCCN2)cccc1[N+](=O)[O-]	841921512	KRASHPMROLJCAZ-LLVKDONJSA-N	307.354	1.671	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CNc1cccc(C(F)(F)F)c1	910166469	WTYZTAAIONLECO-SECBINFHSA-N	305.300	1.461	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCSc1ccccn1	843652302	IYRAKPSFJBIPNQ-MNOVXSKESA-N	309.391	1.136	50	20	DDGD	
O=C(NNS(=O)(=O)[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCCCO1	840914243	REHMSCXALSXTSA-MELADBBJSA-N	324.402	1.062	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccc2c(c1)OCCO2)c1ccco1	741525723	WEGXUEXUOIGKKS-JTQLQIEISA-N	316.313	1.616	50	20	DDGD	
COC(=O)COc1c(C)cc(C=NNC(=O)N(C)C)cc1C	746493976	JXIUFNUVIOBKJC-UHFFFAOYSA-N	307.350	1.460	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1cccc2c1OCO2	841617504	XTMJYGBCDBJLRB-UHFFFAOYSA-N	300.318	1.530	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1C[C@H]1C1CCC1	845107296	DORBAHFHQWPNRY-QWHCGFSZSA-N	312.373	1.840	50	20	DDGD	
Cc1ccc(F)c2c1C(=NNC(=O)[C@@H]1CCO[C@H]1C)C(=O)N2	842553421	GTTDSURJCCEYLE-DTWKUNHWSA-N	305.309	1.332	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccccc1F	843648952	SJZBGVLVPULEOA-NQBHXWOUSA-N	308.353	1.892	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(-c2nc(C)co2)ccc1C	757678096	WSTDUWBZWLMOSS-UHFFFAOYSA-N	318.333	1.758	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@H](C2OCCO2)C1	928009598	RMYLFFMMLAIVFG-FYQHACEVSA-N	316.332	1.954	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1ccnc(Cl)c1	855468463	YKEPPPQRUUCECL-UHFFFAOYSA-N	300.746	1.657	50	20	DDGD	
CCCNC(=O)NN=CC1(CN2CCOCC2)CCCCC1	751134115	UJSXYYRVMSNNIE-UHFFFAOYSA-N	310.442	1.964	50	20	DDGD	
Cc1ccc(NNC(=O)NCCCN2CCOCC2)cc1F	853207517	DOPMHCCYVGTKNO-UHFFFAOYSA-N	310.373	1.483	50	20	DDGD	
CC1CC(C#N)(C(=O)NNc2nc3ccccc3c(=O)n2C)C1	758233238	XOYWZVZDPRONSZ-UHFFFAOYSA-N	311.345	1.316	50	20	DDGD	
Cc1ccc2oc(C(=O)NNC(=O)CN3CCCC3=O)cc2c1	920432959	LSQRCDJNCWJVHP-UHFFFAOYSA-N	315.329	1.125	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)c1ccccc1O)OCO2	758869495	VUGBOFLLBHIFSW-UHFFFAOYSA-N	314.297	1.893	50	20	DDGD	
C[C@@H]1CCCC[C@H]1CC(=O)NNC(=O)C(=O)Nc1ccccn1	758841173	NZDFLGBTUOAXAW-NEPJUHHUSA-N	318.377	1.384	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)C1(C(=O)NC2CC2)CCC1	857356876	YJODBJQQYTYBGT-UHFFFAOYSA-N	309.757	1.022	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)Cn2ccc3ccccc32)CCOC1	754243562	VVWHMHGAZSGCRR-INIZCTEOSA-N	301.346	1.215	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(Cl)cc1F)c1ncn(C)n1	922105960	IJYLXSSDPDKFTE-SSDOTTSWSA-N	312.736	1.995	50	20	DDGD	
CCC[C@H](CNC(=O)NNc1nc(C)cc(OC)n1)OCC	858681724	IYUOKXPIUYTSJH-LLVKDONJSA-N	311.386	1.625	50	20	DDGD	
Cn1c(=NNC(=O)C2(C(=O)O)CC=CC2)sc2ccccc21	852949097	AZKRSKHFKVZURR-UHFFFAOYSA-N	317.370	1.593	50	20	DDGD	
Cc1c(C(=O)NNC(=O)OCC(F)(F)F)cccc1[N+](=O)[O-]	856026759	KTVGDJNNBUOGPP-UHFFFAOYSA-N	321.211	1.837	50	20	DDGD	
CO/C(=C/c1ccccc1)C(=O)NNC(=S)NCC1CCC1	855090047	NZXGPRMUOFAWIZ-GXDHUFHOSA-N	319.430	1.969	50	20	DDGD	
O=C(C[C@@H]1C[C@H]2CC[C@H]1O2)NNC(=O)c1cccc(Cl)n1	857324670	JXNOOVUAGKFYEK-IQJOONFLSA-N	309.753	1.454	50	20	DDGD	
O=C(NNC(=O)C1CC(F)(F)C1)c1ccc2c(c1)OCCO2	753573905	KMRKNYLWEYCSST-UHFFFAOYSA-N	312.272	1.264	50	20	DDGD	
COC[C@@H](OC)C(=O)NNc1ncnc(Cl)c1C(C)C	854944009	YJYWEOIZZJQBSZ-MRVPVSSYSA-N	302.762	1.358	50	20	DDGD	
CCn1cnnc1CNC(=O)NNc1cc(F)cc(Cl)c1	853402822	MIIJAZXFDRRVBT-UHFFFAOYSA-N	312.736	1.917	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	755630175	XZHYZLRSRAKLFE-LLVKDONJSA-N	316.361	1.510	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ncccc1Cl	854285689	NMILPRVUKNACNL-UHFFFAOYSA-N	316.814	1.223	50	20	DDGD	
O=C(CNc1ccccc1F)NNC(=S)NCC(F)(F)F	750974906	WURFGQUEMPUZIM-UHFFFAOYSA-N	324.303	1.295	50	20	DDGD	
O=C1C[C@H]2C[C@@H]1[C@H](C(=O)NNc1ccc([N+](=O)[O-])cc1F)C2	855623428	DUMLPZZMBYJKNU-FXBDTBDDSA-N	307.281	1.792	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)C23CCC(CC2)C3)C[C@@H](C)O1	753387047	INZQBSBRNXVXDE-HFZWIWRYSA-N	323.437	1.213	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCOc1ccc(F)cc1Cl	854925302	DFXHCAPRAGENCZ-UHFFFAOYSA-N	319.789	1.715	50	20	DDGD	
CC(C)C[C@H](C(=O)NNC(=O)C1CCCC1)N1CCCCC1=O	755155103	ISXAXJFEHCTTIA-CQSZACIVSA-N	323.437	1.751	50	20	DDGD	
Cn1nc(CC(=O)NNc2ncncc2Cl)c2ccccc21	857491528	UTANFFNGMVPQRK-UHFFFAOYSA-N	316.752	1.703	50	20	DDGD	
CC(=O)NNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F	757799644	GSSXYDDAVCNZNG-VIFPVBQESA-N	321.324	1.046	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NN=CC[C@@H]1CCOC1	853375026	YNPGOLPKTGBYNH-MGPQQGTHSA-N	320.393	1.416	50	20	DDGD	
COc1cccc(CO[C@H](C)C(=O)NN=c2cc[nH]c(C)c2)c1	862510831	VCDCTSSQCGKZSJ-CYBMUJFWSA-N	315.373	1.869	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNc1ccccc1S(C)(=O)=O	765796039	ISMNLFPPYGOUSY-JTQLQIEISA-N	315.395	1.141	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCCNC(=O)c1ccco1	866453436	MVRKMGIUWFZZOP-UHFFFAOYSA-N	322.814	1.194	50	20	DDGD	
Cc1noc(C2CC2)c1NC(=O)NNC(=O)c1ccccn1	767900234	NULNMKSRNBFHNF-UHFFFAOYSA-N	301.306	1.722	50	20	DDGD	
Cn1ncc(COC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)n1	869459578	FZYSHQKRTIFYRD-PTOFAABTSA-N	314.183	1.812	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)Cc2cc(O)nc(S)n2)C[C@@H]1C	767359840	JGBNTNHFRVMALE-IUCAKERBSA-N	308.407	1.942	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=C2CCC[C@H](c3cccnc3)C2)N1	863153694	ZEGIDONQTJLOGQ-FZMZJTMJSA-N	300.362	1.490	50	20	DDGD	
CC(=O)NCCCCCC(=O)NNc1ncnc2ccsc12	766674279	ZRJTUJKZXPRCBQ-UHFFFAOYSA-N	321.406	1.831	50	20	DDGD	
O=C(/C=C/CN1CCOCC1)NNc1cc(F)c(F)c(F)c1	866880539	REYYTDBCEKLNSW-OWOJBTEDSA-N	315.295	1.435	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNc1ccnc(Br)c1	769957989	WCESEUNCIGZMTJ-UHFFFAOYSA-N	308.139	1.810	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)C(=O)N2CCC[C@@H](C)C2)c1	862477372	KWIBFTCYKULPTO-SECBINFHSA-N	309.391	1.076	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H](O)C(C)(C)C)c1	764589264	XJPFUOQRRVYRNR-AWEZNQCLSA-N	308.378	1.237	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2ncnc3ccsc23)CCOC1	765781756	QKIKQXNAOLNNEF-ZDUSSCGKSA-N	307.379	1.744	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCc1ccc(CCN)cc1	866737537	GPJNTWABEFXNPR-UHFFFAOYSA-N	318.870	1.872	50	20	DDGD	
CNc1nnc(CC(=O)NNc2cc(C#N)cc(Cl)n2)s1	760009744	KCGAALLMUDEGDQ-UHFFFAOYSA-N	323.769	1.186	50	20	DDGD	
C[C@@H](NNC(=O)Cc1cnn(-c2ccccc2)c1)C(F)(F)F	862306314	IYAOODVLKJHQHP-SNVBAGLBSA-N	312.295	1.986	50	20	DDGD	
CCC(CC)c1nnc(NC(=O)NNC(=O)c2cn[nH]c2)s1	860343578	AJJHJYIRMVNPMZ-UHFFFAOYSA-N	323.382	1.631	50	20	DDGD	
COc1ccc2oc(C)c(C(=O)N3CC[C@H](B(O)O)C3)c2c1	864233875	KVCQICBWHIGGBV-JTQLQIEISA-N	303.123	1.439	50	20	DDGD	
C[C@]1(c2ccccc2)CCC(=NNC(=O)CS(C)(=O)=O)C1	863186797	MJAWAUDIFJHCCP-HNNXBMFYSA-N	308.403	1.645	50	20	DDGD	
CCS(=O)(=O)CC(C)=NNC(=O)c1ccccc1Cl	1116064501	VHUOVJNORKXVDG-UHFFFAOYSA-N	302.783	1.880	50	20	DDGD	
COC(=O)C(=O)NN=C1COc2cc(Cl)cc(Cl)c21	1116191172	DQDPWTOUJJAOJF-UHFFFAOYSA-N	303.101	1.379	50	20	DDGD	
C=CC(C)(C)CC(=O)NNC(=O)Cn1cnc2ccccc21	878002180	PSHZVFJAHLDQIZ-UHFFFAOYSA-N	300.362	1.786	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(-c2csnn2)cc1	878440322	HENBXPXNOKBJAB-UHFFFAOYSA-N	307.379	1.820	50	20	DDGD	
CC(=O)NNC(=O)c1cc(Br)cc([N+](=O)[O-])c1	770136601	GWJUVUAJFPZMQL-UHFFFAOYSA-N	302.084	1.138	50	20	DDGD	
Cc1ccc(OCCNC(=O)NN=c2cc[nH]c(C)c2)cc1	874991534	HCLPRFGBQUNANV-UHFFFAOYSA-N	300.362	1.825	50	20	DDGD	
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CC=C(C#N)CC1	779586428	VBNZPCSCQDZUSN-KRWDZBQOSA-N	311.385	1.459	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C/c1ccc(N2CCN(C)CC2)cc1	771522063	XVFHVCADCAJWSB-DTQAZKPQSA-N	310.401	1.648	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H](O)c1ccc(C(F)(F)F)cc1	873797415	RMFTXTATVBZDFK-SNVBAGLBSA-N	304.268	1.542	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1ccc(C#N)cc1Cl	779831659	FLRUOSAZXSIQEZ-UHFFFAOYSA-N	316.770	1.114	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)C1CCN(C)CC1	873768797	GJUSLHGPDGRQCZ-UHFFFAOYSA-N	322.434	1.355	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=S)Nc1ccccc1OC	873769553	POHMMGFSFJTTGB-UHFFFAOYSA-N	311.407	1.685	50	20	DDGD	
Cc1nnc(CC(=O)NNC(=S)Nc2ccc(C)c(C)c2)o1	873761710	GCHLLZVCPWIDKD-UHFFFAOYSA-N	319.390	1.555	50	20	DDGD	
CCC[C@]1(COC)CCCN1S(=O)(=O)CBr	774930790	WEMJXUDHSQXMSF-SNVBAGLBSA-N	314.245	1.950	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccc(CN2CCOCC2)o1	878207154	MVAQUANFNVOWKE-UHFFFAOYSA-N	321.377	1.063	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1cccc(-n2cnnn2)c1	776182005	LULILCURLMMWAS-UHFFFAOYSA-N	320.316	1.296	50	20	DDGD	
COc1cc(C)c(NC(=O)NNC(=O)c2cnccn2)cc1F	775897834	NKHCSHVGBFKROT-UHFFFAOYSA-N	319.296	1.399	50	20	DDGD	
NC(=O)c1cccc(NC(=O)NNc2ccccc2[N+](=O)[O-])n1	775679668	AVESRTPHLKZYCH-UHFFFAOYSA-N	316.277	1.237	50	20	DDGD	
Cc1ccc(C[C@@H](C)C(=O)NNc2nnc(C)c(O)n2)cc1	779159698	AAJVIJNAMMWMPH-SNVBAGLBSA-N	301.350	1.516	50	20	DDGD	
Cc1ccc2nc(C(=O)NNC(=O)C3CCOCC3)ccc2c1	883070698	ZXWLFGYNEMMHEG-UHFFFAOYSA-N	313.357	1.731	50	20	DDGD	
Cc1cc(C)n(-c2ccc(CC(=O)NN(C)C(N)=O)cc2)n1	778415977	XACUSYWOLYTMKG-UHFFFAOYSA-N	301.350	1.073	50	20	DDGD	
Cn1nccc1COCC(=O)OC[C@@]1(C)C[C@H]1Br	1123040556	UBJJULIEEZLAEN-ZYHUDNBSSA-N	317.183	1.653	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC(CC(N)=O)CC1	781076720	XCBVOPMWRNJCEH-LLVKDONJSA-N	319.243	1.910	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC[C@H]2C=CCC2)cc1C	883832383	AAQUWNIPTXDWTI-AWEZNQCLSA-N	317.389	1.979	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C\c1ccc[nH]1	782333322	UMSSYCGFGIPUBF-JMEBYUIHSA-N	307.350	1.153	50	20	DDGD	
Cc1cccc(OC[C@@H](O)CNS(=O)(=O)CCCCl)c1	881917128	UYIXGBPWALKEIT-LBPRGKRZSA-N	321.826	1.283	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CCC[C@H](N(C)C)C2)cc1	788423281	VHDFSKMCZQVODP-HNNXBMFYSA-N	316.405	1.910	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@H](C)NC(=O)C1CCCCC1	887143166	OEPGOQSFAMSELH-ZDUSSCGKSA-N	321.421	1.412	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NNc1cc(F)ccc1F	885144618	HCLUVTBUQOSMSF-KOLCDFICSA-N	300.305	1.992	50	20	DDGD	
CC(C)c1nnc2n1CCN(S(=O)(=O)CCCCl)[C@@H]2C	882110827	UBVYFSHLCIZFQE-SNVBAGLBSA-N	320.846	1.737	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ncc(F)cn2)cc1Cl	784955087	ALQMSWFFVWXHNO-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2ccc(F)cn2)cn1	784647581	RWIHLIILEPDLIU-UHFFFAOYSA-N	321.337	1.256	50	20	DDGD	
COc1ccc(NNC(=O)c2cc([C@@H]3CCCN3C)[nH]n2)nc1	897497285	YAQRKHIPOGKDMW-ZDUSSCGKSA-N	316.365	1.337	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@@H]1CC(=O)N(C2CCCCC2)C1	781366737	RSIGKMSJYHHEOC-LLVKDONJSA-N	320.368	1.845	50	20	DDGD	
COC1CCC(C(=O)NNC(=O)Cc2ccc(F)cc2)CC1	780173793	OUYRPOXODMNCMS-UHFFFAOYSA-N	308.353	1.721	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](C(=O)NNC(=O)c2ccccc2O)CCO1	891808146	DHXABLBSQPNLSC-FZMZJTMJSA-N	306.362	1.604	50	20	DDGD	
CC(C)c1cc(NC(=O)C(=O)NNc2ncccc2Cl)no1	784818043	QWXUWUCIKIMQKZ-UHFFFAOYSA-N	323.740	1.928	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNC(=S)NC(C)(C)C)c1	899995347	NODBXSCYOVVGDR-UHFFFAOYSA-N	310.379	1.811	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@@H]1CCC(=O)c2cccn21	788742462	MHWHWLHWLXEUSK-LBPRGKRZSA-N	316.317	1.129	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H](C)c2ccc(C#N)cc2)n1	792836442	WLAVPRCKTXTRKU-GFCCVEGCSA-N	323.356	1.967	50	20	DDGD	
COc1cccc(NNC(=O)c2cc3ccccc3c(=O)o2)n1	797751837	YPXSXDCEPCOPHW-UHFFFAOYSA-N	311.297	1.954	50	20	DDGD	
COc1ccc(CCCC(=O)NNc2cnccn2)cc1OC	896382413	XXFRANUCRIKZKQ-UHFFFAOYSA-N	316.361	1.960	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NC[C@]1(OC)CCOC1	799622636	SQGCBHASKWQREU-MRXNPFEDSA-N	307.394	1.989	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCO[C@H](C(C)C)C2)n1	793219609	ARRXEQGAASLAFF-ZDUSSCGKSA-N	306.366	1.101	50	20	DDGD	
CC(C)(C(=O)NNC(=O)COc1ccc(C#N)cc1)C(F)F	792016775	AJMRGYSTDZXTES-UHFFFAOYSA-N	311.288	1.376	50	20	DDGD	
Cc1cc(OCC(=O)NNC(=O)NCC2CC2)ccc1[N+](=O)[O-]	797712198	VLFMZDQEGDEQAG-UHFFFAOYSA-N	322.321	1.022	50	20	DDGD	
N#CC1(CNC(=O)NNC(=O)Cn2ccc3ccccc32)CC1	797581226	OFIFPFFGOZRYBP-UHFFFAOYSA-N	311.345	1.275	50	20	DDGD	
CC(=NNC(=O)CCc1ccccc1O)c1cc(C)n(C)n1	799879680	LLFZXBRFXXVSKK-UHFFFAOYSA-N	300.362	1.907	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@H](C)c1ccccn1	792797970	JMGYKLSRSZCYTI-GFCCVEGCSA-N	313.357	1.584	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1CCCCN1C1CCCC1	791226324	WCUKVDFZOPQZCJ-ZDUSSCGKSA-N	319.409	1.725	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)OCCC[C@H](C)O)cc(C#N)n1C	795420501	PJXKXFPRUIIXLK-NGPAHMQLSA-N	301.346	1.816	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)c1ccc2c(c1)OCO2	792788669	DCKXAGHLPSLLJN-NOZJJQNGSA-N	308.334	1.237	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)Cc1ncccc1F	792156577	GJIUAYFTBFVQEG-UHFFFAOYSA-N	305.284	1.292	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41)NC1CCCC1	793255075	NXPSIPWPXBLWJK-WBTLJEKMSA-N	315.417	1.653	50	20	DDGD	
O=c1[nH]c(CCl)nc2sc3c(c12)CCS(=O)(=O)C3	50499191	MKAYGZMKFCHEDF-UHFFFAOYSA-N	304.780	1.194	50	20	DDGD	
COC(=O)N1CCC(=NNC(=O)c2n[nH]c3c2CCCC3)CC1	1317891387	VWWINISISNHREJ-UHFFFAOYSA-N	319.365	1.237	50	20	DDGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)c1cc[n+]([O-])cc1	1324990721	PMURNWCCPCAUEE-UHFFFAOYSA-N	322.777	1.605	50	20	DDGD	
COCc1ccccc1NC(=O)C(=O)NNc1ccc(C)nn1	1321644835	FTLNQZDSYNVOHY-UHFFFAOYSA-N	315.333	1.013	50	20	DDGD	
C[C@@]1(CNC(=O)c2ccc(C(=O)O)cn2)C[C@@H]1Br	1329507829	VSTZCGXKTUGMTN-CABZTGNLSA-N	313.151	1.683	50	20	DDGD	
CCc1ccc([C@@H](NC(=O)NNC(=O)C(=O)OC)C(C)C)cc1	1323432280	LEIIJKOXPWFCGQ-ZDUSSCGKSA-N	321.377	1.450	50	20	DDGD	
COCc1nocc1C(=O)NNC(=O)c1cc2ccccc2o1	1324046218	MWUNAKQNOJDOIP-UHFFFAOYSA-N	315.285	1.642	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@H]2CCO[C@@H](C)C2)cc1	1320536621	WWSPFVXLLZIPHZ-RYUDHWBXSA-N	321.377	1.454	50	20	DDGD	
CC[C@@H](C)N(C)CCNC(=O)NNc1nncc(N)c1Cl	1253132081	WREMPJAYLRFUID-MRVPVSSYSA-N	315.809	1.069	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H]1c2ccccc2CCC[C@@H]1C	1321192903	LWAQNJGRYAVKEM-GWCFXTLKSA-N	319.361	1.204	50	20	DDGD	
CS[C@H]1CC[C@@H](N(C)CC(=O)NNC(=O)c2ccccc2)C1	1320108653	NGOALXVADJTHQR-KGLIPLIRSA-N	321.446	1.664	50	20	DDGD	
C[C@@]1(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C[C@H]1Br	1337300579	RSVNTMJWJJNBMV-ONYIWYLUSA-N	318.211	1.328	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C(F)(F)C2(O)CCC2)cc1	1336744718	JLDGULZBTWZISL-UHFFFAOYSA-N	314.288	1.007	50	20	DDGD	
C[C@H](CBr)COC(=O)Cc1nnn(C(C)(C)C)n1	1330233546	SDSDZLHMZFSVBJ-MRVPVSSYSA-N	319.203	1.545	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2cncn2-c2ccccc2)CCOC1	1254675866	PVVVHXICMAOUKB-INIZCTEOSA-N	314.345	1.060	50	20	DDGD	
NC[C@@H](NC(=O)NNC(=O)c1ccccc1Cl)C1CCCC1	1331467352	XWDSNQDOCCHFTD-CYBMUJFWSA-N	324.812	1.802	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)NCCC(F)F	1348451742	MFSRIPDUPYQSJH-UHFFFAOYSA-N	305.256	1.190	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H](C)c2noc(C)n2)cc1	1261102571	UPIYYCMDHLOJHB-QMMMGPOBSA-N	319.321	1.092	50	20	DDGD	
C[C@H]1CN2CCN1C[C@H]2C(=O)NNc1cccc2c1CCCC2	1348139472	FOQWXBDRYXYFGX-GUYCJALGSA-N	314.433	1.397	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NC[C@@H]1C[C@H]2C=C[C@H]1C2	1343347502	OBZDWYUSFHJFMV-IHRRRGAJSA-N	300.362	1.167	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1csc(C(=O)O)n1	1601562337	ZVCUNGCOXOCCGA-UHFFFAOYSA-N	319.346	1.656	50	20	DDGD	
Cn1cc(CC(=O)NNc2ccccc2C(=O)O)c(Cl)n1	1600948865	UKRAONQSEJWZPO-UHFFFAOYSA-N	308.725	1.458	50	20	DDGD	
CCN(CC(=O)O)C(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	1605412752	YETKYCIEOUEAPO-LFYBBSHMSA-N	300.318	1.045	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCS1)c1ccc(-c2nn[nH]n2)cc1	1609060404	KYRSGMABEZXZGD-LBPRGKRZSA-N	316.390	1.603	50	20	DDGD	
Cc1nnc(CNC(=O)NNc2ccc(F)c(C(=O)O)c2)o1	1600796437	ZDTQVEVLOPNTFG-UHFFFAOYSA-N	309.257	1.042	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cc(C(=O)O)co2)c1F	1606618241	PHEPPGFBDBPYFY-UHFFFAOYSA-N	322.248	1.660	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)c1sccc1-c1nn[nH]n1	1606862156	UXDSATWBLFNFKR-UHFFFAOYSA-N	322.741	1.129	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1sccc1C(=O)O	1600593677	YAMDGCKQHQHXRD-UHFFFAOYSA-N	320.330	1.232	50	20	DDGD	
CN(CCO[Si](C)(C)C(C)(C)C)CCC(=O)NCC(=O)O	1606136151	GTXYVFLNZGLKQH-UHFFFAOYSA-N	318.490	1.531	50	20	DDGD	
O=C(NCc1cnccn1)NNc1ccc(C(=O)O)cc1F	1601546895	QBRIWSGPRFTFRJ-UHFFFAOYSA-N	305.269	1.140	50	20	DDGD	
CN(C)[C@@H]1CCC[C@@H](C(=O)NNc2ccccc2C(=O)O)C1	1606020776	WCVVHVQPPVFODM-VXGBXAGGSA-N	305.378	1.948	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cnn3c2CCCC3)cc1F	1602384271	IHZFCCJLMJCJFY-UHFFFAOYSA-N	318.308	1.814	50	20	DDGD	
O=C(O)C1(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)CC1	1610724829	CYGJSAQWLHYKMY-UHFFFAOYSA-N	322.708	1.698	50	20	DDGD	
O=C(NN=Cc1ccc2ncccc2c1)[C@H]1CN2CCC[C@H]2CO1	1549317252	WDQKNLAVJMJPDH-DOTOQJQBSA-N	324.384	1.548	50	20	DDGD	
COC(=O)Nc1cccc(C(=O)NNC(=O)CCCCCN)c1	1578829366	LBOYCEJWCYBQTO-UHFFFAOYSA-N	322.365	1.145	50	20	DDGD	
C[C@@H]1NCCn2c(C(=O)NNc3cccc(Cl)n3)ccc21	1576894863	QQDGTLZWJOBHAQ-VIFPVBQESA-N	305.769	1.958	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@H]1CCCC[C@H]1N	1578505842	BDNXNQYFIIYVSR-UONOGXRCSA-N	305.378	1.804	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)c1c[nH]c2ccccc12)C(=O)O	1589539421	TZEWIEWUOOUNRM-SECBINFHSA-N	318.333	1.223	50	20	DDGD	
C=C(CBr)CN1CC[C@H](C(=O)O)C[C@@H]1C(=O)OC	1588605713	OFCDFBVRXNBFSX-VHSXEESVSA-N	320.183	1.276	50	20	DDGD	
CC(C)(C)n1nccc1NC(=O)NNc1ncccc1C(=O)O	1588748723	RJQMSMWTZOGQAI-UHFFFAOYSA-N	318.337	1.880	50	20	DDGD	
CC(C)C(=O)NN=Cc1ccc(N2CCC(C(=O)O)CC2)o1	1588799657	YOFHLBRJOODKRM-UHFFFAOYSA-N	307.350	1.687	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1ccc(C(=O)O)cc1C	1589012168	DDJWVUGJFYMRLW-UHFFFAOYSA-N	318.377	1.374	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)[C@@]1(C(=O)O)C[C@H]1c1ccccc1	1591213861	GZDYYDLDKWONGO-SUMWQHHRSA-N	318.373	1.829	50	20	DDGD	
O=C(NC[C@H]1CCCCO1)NNc1cccc(-c2nn[nH]n2)c1	1593033769	WZZSPNPLIBEUPF-GFCCVEGCSA-N	317.353	1.062	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(N(C)C)cc2)n1	12665985	RGEMFYVAOZLRTA-UHFFFAOYSA-N	315.377	1.027	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)NC2CC2)c(OC)c1OC	16439064	SCBNESRWSPATOF-DHZHZOJOSA-N	302.330	1.898	50	20	DDGD	
Cc1nc(Cl)ccc1C(=O)NNc1ncnc2nc[nH]c12	162296187	YQLJSZABRVYYQS-UHFFFAOYSA-N	303.713	1.467	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2	162757425	KWSRBIBLISCHGK-UHTWSYAYSA-N	318.377	1.306	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCC1(N2CCOCC2)CCCCC1	158589972	WMXFAUIOFGZCLM-SQFISAMPSA-N	321.421	1.582	50	20	DDGD	
COC(=O)NNC(=O)c1cc(Br)cnc1Cl	158692745	UUKRMBIWEHEZQE-UHFFFAOYSA-N	308.519	1.498	50	20	DDGD	
CCNc1nc(C(=O)NNc2ncccc2[N+](=O)[O-])cs1	160697679	MEFUWNAKJCGEIK-UHFFFAOYSA-N	308.323	1.635	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccnc(OCC(F)F)c1	160716922	XPYPFWIUNIXIPE-UHFFFAOYSA-N	302.281	1.080	50	20	DDGD	
CCn1c(NNC(=O)CCNC(C)C)nc2ccccc2c1=O	151541729	VSSWMSWWOMEFOR-UHFFFAOYSA-N	317.393	1.248	50	20	DDGD	
O=C(NNc1ccc(F)cc1Br)C1=COCCO1	153763701	XWXUGBJQQGZPCT-UHFFFAOYSA-N	317.114	1.920	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@@H]1CCOC2(CCCCC2)C1	157783383	VLKHIRAURCIPOB-GFCCVEGCSA-N	320.393	1.841	50	20	DDGD	
CC(C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(CCl)cc1	312317530	GTSNMZLKUSEHAE-SNVBAGLBSA-N	318.826	1.617	50	20	DDGD	
C=CC(=O)Nc1ccccc1C(=O)NNC(=O)[C@H]1CC1(F)F	2088605979	AUDLAAAMQNZEDD-SECBINFHSA-N	309.272	1.227	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc(N2CCCC2=O)cc1	6448306	BLQBLGDVVJTJKV-UHFFFAOYSA-N	320.418	1.331	50	20	DDGD	
CCCNC(=S)NNC(=O)c1cccc(Br)c1	6934181	JTYDZCTZIMFKSO-UHFFFAOYSA-N	316.224	1.968	50	20	DDGD	
N#Cc1cccc(C(=O)NNS(=O)(=O)c2ccccc2F)c1	103425532	NPTLPUYIMZJIQZ-UHFFFAOYSA-N	319.317	1.321	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])n1	176737834	XMIKLDSECCRAJQ-UHFFFAOYSA-N	321.268	1.598	50	20	DDGD	
Cc1nc(-c2ncccn2)sc1C(=O)NNC(=O)C1CC1	54871058	OUIMLDVUOSGOED-UHFFFAOYSA-N	303.347	1.080	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)Cc1ccc(C#N)cc1	109829405	HXFPHJGFODHSBY-CYBMUJFWSA-N	316.405	1.572	50	20	DDGD	
O=C(NNc1ccc(-n2cccn2)nn1)Nc1ccccc1F	56323388	YUUPTRPPQGYPKD-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
CC(C)(C)CC(=O)NCC(=O)NNc1ccc(C(C)(C)C)nn1	118526617	ZLEMKCZARGBTDS-UHFFFAOYSA-N	321.425	1.770	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(-n3cccn3)c(F)c2)ncn1	172284100	XVVHNSVDZBIKEW-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
CCc1cc(NNC(=O)c2cn[nH]c2C)nc(-c2ccccn2)n1	173376690	OZSZOQITTZHYNX-UHFFFAOYSA-N	323.360	1.889	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)c1ccc(Cl)o1	173894419	MZHVQJWPYUAVEC-UHFFFAOYSA-N	318.720	1.584	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=S)N[C@H](C)C2CC2)cc1C	171168230	IJPZGSOFJWFEME-GFCCVEGCSA-N	321.446	1.976	50	20	DDGD	
O=C(NNC(=O)c1ccccc1OC(F)(F)F)NC1CC1	113694434	WMBPTVYVWDXMGC-UHFFFAOYSA-N	303.240	1.692	50	20	DDGD	
CN(C)c1ccnc(C(=O)NNc2nc(-c3ccccc3)no2)c1	171188790	WASMRFBBANABBR-UHFFFAOYSA-N	324.344	1.955	50	20	DDGD	
COc1cccc(OCC(=O)NNC(=O)NC2CCCC2)c1	65918813	KQXLUQRGIOLGEY-UHFFFAOYSA-N	307.350	1.347	50	20	DDGD	
CO[C@]1(C)C[C@@H](NC(=O)NNc2nc(C)cc(C)n2)C1(C)C	173718747	XLVWUZOFXNPEAD-IAQYHMDHSA-N	307.398	1.923	50	20	DDGD	
CCNC(=O)NNC(=O)CCCc1nc(-c2cccs2)no1	65189797	SKIHHNDCGDQWCB-UHFFFAOYSA-N	323.378	1.471	50	20	DDGD	
CC(C)COC[C@@H](O)CNC(=O)/C(C#N)=C\c1ccc(F)cc1	183567009	PBXOWPINLNVVBD-VFXTVZEFSA-N	320.364	1.882	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSc1ccc([N+](=O)[O-])cc1	77220113	RPKXKVZDCKNCML-UHFFFAOYSA-N	311.363	1.880	50	20	DDGD	
CCCn1cc(NC(=O)C(=O)NNc2ccc(F)cc2C)cn1	189196296	WASHELGGSDPSOI-UHFFFAOYSA-N	319.340	1.822	50	20	DDGD	
COC1(CNC(=O)NNC(=O)c2ccc(C#N)cc2)CCC1	181134286	QTJYMSGDXPHGMW-UHFFFAOYSA-N	302.334	1.071	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(C)c1Cl	124869705	IKQYODGDNQVUCL-QMMMGPOBSA-N	311.769	1.780	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H]1CCCc2sccc21	123268276	NHTKGZQACMZOTI-NSHDSACASA-N	311.407	1.535	50	20	DDGD	
Cc1cc(C)n2ncc(C(=O)NNc3ncc(F)cn3)c2n1	122816009	XHPBLOAXRUOZSI-UHFFFAOYSA-N	301.285	1.032	50	20	DDGD	
CC[C@H](COC)NC(=O)NNC(=O)c1ccc2ccccc2n1	129275366	QOZJYJCZVKOUGE-GFCCVEGCSA-N	316.361	1.604	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@@H]2COc3ccccc3C2)n1	182785006	JGFKPXGBOCNCRU-VIFPVBQESA-N	319.752	1.407	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2cccc(N(C)C)c2)nc1	184264437	YJVKLPYVLFZWHE-UHFFFAOYSA-N	313.361	1.923	50	20	DDGD	
Cc1cc(OC(F)F)c(C(=O)NNC(=O)[C@@H]2CCCO2)s1	74693188	VGFMPXMGMCXYGN-ZETCQYMHSA-N	320.317	1.598	50	20	DDGD	
CN(C[C@H]1CCOC1)C(=O)NNC(=O)CCCc1ccccc1	78321816	FGJNWSANHUQILZ-OAHLLOKOSA-N	319.405	1.718	50	20	DDGD	
O=C(NCC1(C2CC2)CCC1)NNc1nc2ccccn2n1	189648207	KDQBQOVAKBEKIX-UHFFFAOYSA-N	300.366	1.936	50	20	DDGD	
O=C(CSc1nnc(-c2cccs2)o1)NNC(=O)C1CC1	128639925	VJRJGXOXPKYJMV-UHFFFAOYSA-N	324.387	1.448	50	20	DDGD	
CCc1c[nH]c(SCC(=O)NNC(=O)c2cccs2)n1	128849467	SLQCKPGEEDQFNL-UHFFFAOYSA-N	310.404	1.587	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cc(C)n[nH]2)cc1F	184068867	KEHHXUHRVYBJAG-UHFFFAOYSA-N	307.285	1.332	50	20	DDGD	
C[C@@H]1CC(NC(=O)NNc2nc3ccccn3n2)C[C@@H](C)O1	189742048	KJFMTNBXWSCXMS-NXEZZACHSA-N	304.354	1.311	50	20	DDGD	
Cc1nscc1C(=O)NNC(=O)CCc1ccccc1O	183182278	HFJODGOSHZLPEZ-UHFFFAOYSA-N	305.359	1.551	50	20	DDGD	
CSCC[C@@H](N)C(=O)N/N=c1/sc2ccccc2n1C	132496794	IEEJUPSQJIZCBG-IPTMZHPMSA-N	310.448	1.252	50	20	DDGD	
Cc1cccc(OCCNC(=O)NNC(=O)c2ccc[nH]2)c1	192960410	VZKQUIQMOUTJHL-UHFFFAOYSA-N	302.334	1.346	50	20	DDGD	
COc1ccc(C(F)(F)C(=O)NNc2nccn(C)c2=O)cc1	132522062	HNQQBRXRSNTFIG-UHFFFAOYSA-N	324.287	1.024	50	20	DDGD	
O=C(NNC(=O)c1cc[nH]n1)c1cccc(Br)c1	80965724	YTNPZIYUTRZOJZ-UHFFFAOYSA-N	309.123	1.247	50	20	DDGD	
O=C(NCc1cccnc1OCC(F)F)NNc1ccccn1	134648952	YDNDNPHCVKNBHT-UHFFFAOYSA-N	323.303	1.947	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCN(C(C)C)C(C)C)o1	84412221	SZJXVNVOAVCSOZ-UHFFFAOYSA-N	310.398	1.651	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc3ccccc3oc2=O)o1	84284159	MSXCBMVULFZCMC-UHFFFAOYSA-N	312.281	1.769	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc(C)cc1O	80387593	QTMHAJFUOLOSPE-UHFFFAOYSA-N	300.314	1.784	50	20	DDGD	
Cc1nn(C)c(C)c1CCC(=O)NNC(=O)CC1CCCC1	195221978	QCFHPARJNKLWFK-UHFFFAOYSA-N	306.410	1.697	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](C)Cc2ccc(O)cc2)o1	84433759	JFWACTBRDSGNBC-SNVBAGLBSA-N	317.345	1.869	50	20	DDGD	
Cc1cc(C(=O)NNc2nc3ccccn3n2)cc(Cl)n1	191930917	IXXUQRBRAGKHMR-UHFFFAOYSA-N	302.725	1.843	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1csc2ccccc12	194899850	PQJYENLOWFNOOQ-UHFFFAOYSA-N	305.359	1.588	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NC[C@@H]1CCCCO1)c1ccccc1	264660942	LMCWGIZBGALIRP-AWEZNQCLSA-N	319.405	1.864	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(N2CCSCC2)cc1	266437641	WIRDWKHNHIULJA-UHFFFAOYSA-N	310.379	1.632	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCCNC(=O)C(C)(C)C)n1	266880751	CBIWWTWSUCBUBG-UHFFFAOYSA-N	323.397	1.179	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(OC)c(-c2ccccn2)c1	368150920	MQPCFCGLTFVYKS-UHFFFAOYSA-N	301.302	1.758	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	368155147	ZODWTJSHQJFRBT-COPLHBTASA-N	304.346	1.271	50	20	DDGD	
O=C(NNc1cccc(F)n1)N[C@H]1CCN(c2ccccn2)C1	367761373	QNEIPCNIVAEZLO-NSHDSACASA-N	316.340	1.521	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1O	271971082	WOVAJEZKZAEYGQ-UHFFFAOYSA-N	305.256	1.763	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1ccc(Cl)cc1C#N	275457102	JLCMEIXGNZUHEH-UHFFFAOYSA-N	316.770	1.066	50	20	DDGD	
N#C/C(=C\c1ccc([N+](=O)[O-])s1)C(=O)NC[C@@H]1CCCO1	272761548	QASJVWTZCUKIJG-ZKXNXJMVSA-N	307.331	1.858	50	20	DDGD	
Cc1cc(C)cc(-n2nc(C(=O)NNC(=O)C3CC3)cc2C)c1	272057115	STKOPUMFNSQNSH-UHFFFAOYSA-N	312.373	1.969	50	20	DDGD	
Cc1cccnc1NNC(=O)c1ccnc(O[C@H]2CCOC2)c1	276676093	DSRQUWUKOPDDBW-ZDUSSCGKSA-N	314.345	1.710	50	20	DDGD	
CN1CCN(S(=O)(=O)CBr)c2ccc(F)cc21	272861166	XPGARSUDVXLRCF-UHFFFAOYSA-N	323.187	1.764	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2	273298245	DYSQBIKEXIQJRZ-VIFPVBQESA-N	320.349	1.605	50	20	DDGD	
Cc1nn(C)cc1[C@H]1CCCN1S(=O)(=O)CBr	373301321	GBEQEJVGDANZBM-SNVBAGLBSA-N	322.228	1.548	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)OC(C)(C)C)c(C)c1	274122440	ZAQMMMGPMRSKKT-UHFFFAOYSA-N	316.379	1.722	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(c2ccc(C#N)nc2)CC1	283941067	ZEFVZOATJDYEKB-OUKQBFOZSA-N	311.345	1.046	50	20	DDGD	
COCCN(C)NC(=O)c1cn(C)nc1-c1ccccc1Cl	288371965	HZDBJMSLUFQARY-UHFFFAOYSA-N	322.796	1.964	50	20	DDGD	
CN(CC(=O)NNC(=O)Nc1ccccc1)C(=O)OC(C)(C)C	283626176	BAGKQLFWXMLANG-UHFFFAOYSA-N	322.365	1.706	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC[C@H](CN2CCOCC2)C1	283465831	IEVAUEVGOIHUMI-SXWSKBOKSA-N	307.394	1.001	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)C(C)(C)NS(C)(=O)=O	281646912	BCFGFZAFWKZWQF-UHFFFAOYSA-N	313.423	1.328	50	20	DDGD	
C[C@@H](C(=O)NNc1ncc(F)cc1F)N(C)CC(F)(F)F	297053262	VOFOYJKRMVVPSL-LURJTMIESA-N	312.242	1.686	50	20	DDGD	
O=C(NNc1ncccc1F)C(=O)Nc1ccc(F)cc1F	807302263	QIEFRGGMJSJEQB-UHFFFAOYSA-N	310.235	1.581	50	20	DDGD	
CC(C)C(=O)N1CCCC[C@@H]1C(=O)NNc1ncncc1F	293982002	LABUZORQHLHQLF-LLVKDONJSA-N	309.345	1.096	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cccc(NC(=O)C2CC2)c1	294230359	RLPHHAOGBLBSBR-UHFFFAOYSA-N	301.346	1.596	50	20	DDGD	
C[C@@H]1CCCN(c2cc(C(=O)NNC(=O)CC3CC3)ccn2)C1	294237093	RXDIEDOVMBJGAF-GFCCVEGCSA-N	316.405	1.879	50	20	DDGD	
COCCN(C)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-]	297224234	XUYHQLPLCSYDGG-UHFFFAOYSA-N	321.255	1.837	50	20	DDGD	
CN(NC(=O)C(=O)Nc1cccc2c1CNC2=O)c1ccccc1	807000415	AERZDRXBCOUGSC-UHFFFAOYSA-N	324.340	1.036	50	20	DDGD	
C[C@@H](OCc1ccc(F)cc1)C(=O)NNC(=O)c1cccn1C	294270535	DUIUSSJUXTXODF-LLVKDONJSA-N	319.336	1.531	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1cnnn1-c1cccc(F)c1	804770508	FQHCJGBYEGVDJC-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
O=C(NNc1cccc2c1CCCC2)c1c[nH]nc1[N+](=O)[O-]	801635848	CQHRFILNRCNJQR-UHFFFAOYSA-N	301.306	1.954	50	20	DDGD	
C[C@@H]1CSC[C@@H]1NC(=O)NNC(=O)c1ccc(C#N)cc1	805027664	QBGRFGNHXGXDMF-SKDRFNHKSA-N	304.375	1.254	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCCSC1	809933360	DCASZDUXMHJMBE-LLVKDONJSA-N	324.402	1.365	50	20	DDGD	
CCCC(O)(CCC)CC(=O)NNC(=O)N=c1cc[nH]cc1	802024428	PKSHALKIPVMFCA-UHFFFAOYSA-N	308.382	1.378	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCCCO2)c(F)c1	296868390	ZJWHAKUPOIIEIM-NSHDSACASA-N	316.354	1.013	50	20	DDGD	
Cc1ccc(C[C@@H](C)C(=O)NNC(=O)[C@@H]2CCCCO2)cc1	295369552	JXFOMBLCKNJCPH-HIFRSBDPSA-N	304.390	1.890	50	20	DDGD	
CC(C)(C)OC(=O)N(CC(=O)NNc1ccncn1)CC1CC1	295625523	ZYXRSIBFWHUVFC-UHFFFAOYSA-N	321.381	1.567	50	20	DDGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](C(=O)O)C1	819090908	LLHMPGMQJFDVIA-TWEXNZEWSA-N	303.274	1.245	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)COc2ccccc2O)c(F)c1	814951192	REGNGPCXZCGISA-UHFFFAOYSA-N	313.288	1.932	50	20	DDGD	
CCOc1ccc(NNC(=O)C(=O)Nc2ccc(F)cn2)cc1	815816725	KBFABXUKUIQXJL-UHFFFAOYSA-N	318.308	1.701	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NN=C(C)C2CCN(C)CC2)c1	814882669	VKLDRSBJVFMCTD-UHFFFAOYSA-N	317.393	1.488	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H](C)CN(C)C(C)C	811879053	RUCKJMGCKNQWGV-LBPRGKRZSA-N	322.409	1.368	50	20	DDGD	
CSc1cc(CNC(=O)NNc2ncncc2F)ccn1	814317205	OUGQSZJNDFZYKK-UHFFFAOYSA-N	308.342	1.559	50	20	DDGD	
C=CCc1ccc(OCC(=O)NN(C)CCOC)c(OC)c1	819744882	HOFYGRMBWXTQTK-UHFFFAOYSA-N	308.378	1.412	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2c(Cl)cncc2Cl)cn1	815646150	BRDKOXFSDLAKON-UHFFFAOYSA-N	314.132	1.197	50	20	DDGD	
COc1cc(Cl)cc(C(=O)NNC(=O)c2ccccn2)c1	814186312	XXTYBGRPPGBRJY-UHFFFAOYSA-N	305.721	1.818	50	20	DDGD	
Cc1nn(C)c(N)c1C=NNC(=O)NCCc1cccs1	814818374	PLBUPIBLTUKBNQ-UHFFFAOYSA-N	306.395	1.248	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)c2cccc3cccnc23)n1	815151187	BKHWWFXEVNTVPS-UHFFFAOYSA-N	324.344	1.229	50	20	DDGD	
O=C(NN=Cc1c[nH]c(C(=O)O)c1)c1ccc([N+](=O)[O-])cc1	814681792	AAQWGFWGURUJIM-UHFFFAOYSA-N	302.246	1.385	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	812539604	GVHCRAWBBSTBLP-RYUDHWBXSA-N	322.409	1.824	50	20	DDGD	
N#CSCCCNC(=O)CN1CCc2ccccc2C1=O	816539345	CAZHFEVYNDXJLI-UHFFFAOYSA-N	303.387	1.405	50	20	DDGD	
CCN(C)[C@@H](C(=O)NNc1cc(C)nc(N)n1)c1ccccc1	828367012	HACKEWILMBGMTL-CQSZACIVSA-N	314.393	1.503	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1cc(C#N)cc(Cl)n1)C(C)(C)C	827648373	BQGAHBKWZPGZGU-GFCCVEGCSA-N	323.784	1.601	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)CC1CCCCC1	726075794	NNHJNWRDBPIDBW-UHFFFAOYSA-N	301.456	1.831	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@H](COc2ccccc2)C1	828754898	GAKLVUNAVDDDRB-AWEZNQCLSA-N	319.405	1.191	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@@H](CO)CC2CCCC2)cn1	491163253	VTYGVCIFSJTQIH-BESIOYJRSA-N	316.405	1.632	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1	826268681	IYEIOLCQRSGYHY-UHFFFAOYSA-N	301.285	1.399	50	20	DDGD	
CCc1ccc(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)o1	821481148	IEDYAFNALTWLKD-UHFFFAOYSA-N	310.317	1.786	50	20	DDGD	
CCn1cc(NC(=S)NNC(=O)c2ccccc2F)cn1	726122539	XQLJYFUGJCBPHJ-UHFFFAOYSA-N	307.354	1.674	50	20	DDGD	
O=C(Cc1cccnc1)NN=c1c(=O)c2cccc3cccc1c32	728784274	FBBFFIBZKSAIEJ-UHFFFAOYSA-N	315.332	1.798	50	20	DDGD	
O=C(NNC(=O)c1ccc(Br)s1)c1cnc[nH]1	725879924	RNRWAHILUQRWTF-UHFFFAOYSA-N	315.152	1.309	50	20	DDGD	
O=C(CC(F)(F)F)NN=Cc1ccc(-c2nn[nH]n2)cc1F	822935723	MSYFJCMLYINMTF-UHFFFAOYSA-N	316.218	1.408	50	20	DDGD	
CC[C@@H](NCc1cccc(B(O)O)c1)c1cc(F)ccc1F	585024773	CGUAMPLYUKMOQS-MRXNPFEDSA-N	305.133	1.886	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1csc(-c2cnccn2)n1	728264368	DBGDMIYLUAQPNZ-UHFFFAOYSA-N	314.330	1.003	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C)Cc1nc2ccccc2s1	827373608	MPYXRRWLRNDFPL-UHFFFAOYSA-N	320.418	1.532	50	20	DDGD	
COc1ccccc1[C@@H]1CCCN1CC(=O)NNC(=O)C(C)C	827661224	MDCNPRLZPZPILV-AWEZNQCLSA-N	319.405	1.636	50	20	DDGD	
CN(NC(=O)Cc1ccccc1NC(=O)OC(C)(C)C)C(N)=O	494742340	MMFJFWGRUZATOS-UHFFFAOYSA-N	322.365	1.618	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1CCc2sccc2C1	827306912	KUQGQNCDBROLLP-MWLCHTKSSA-N	309.391	1.272	50	20	DDGD	
CCOc1ccc(OCC)c(NCc2ccc(B(O)O)o2)c1	585011925	HDBNCSDVVUYFPB-UHFFFAOYSA-N	305.139	1.369	50	20	DDGD	
CC(C)[C@@H]1CC(=NNC(=O)CNC(=O)OC(C)(C)C)CCO1	494436635	YVUYGGMEPOHMLO-LBPRGKRZSA-N	313.398	1.818	50	20	DDGD	
O=C1C[C@H](C(F)(F)F)[C@H](C(=O)NCC(Cl)Cl)CN1	822913184	GARIQBRCMZXYMO-UHNVWZDZSA-N	307.099	1.221	50	20	DDGD	
CC(C)c1ocnc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	824371332	AINJXMPDVCMIJE-UHFFFAOYSA-N	313.321	1.735	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N(C)CCCc1ccccc1	827281331	HDUPPTLMLLNNGO-UKRRQHHQSA-N	319.405	1.717	50	20	DDGD	
O=S(=O)(CCl)NCc1ccccc1CN1CCCC1	820781591	AWQRAPKHQRUBAR-UHFFFAOYSA-N	302.827	1.898	50	20	DDGD	
C[C@@]1(C(=O)Nc2ccc(CC(N)=O)cc2)C[C@@H]1Br	906084031	VUBGRXGAGSDDCM-GXFFZTMASA-N	311.179	1.826	50	20	DDGD	
CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NNc1ccccn1	495458743	MUVLBIVOUIWQOE-JTQLQIEISA-N	324.406	1.835	50	20	DDGD	
CC(C)(C)[S@@](=O)CCNC(=O)[C@@]1(C)C[C@H]1Br	906661766	QRYZXVLFEQCMRO-OGOZKOCGSA-N	310.257	1.823	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)Cc1cccc2cccnc12	496664144	YRYUJYYHJQLRAG-UHFFFAOYSA-N	309.347	1.267	50	20	DDGD	
CCn1cc(C=NNC(=O)CCc2ccc(OC)cc2)nn1	901172627	JIPXIKQWQPDWJS-UHFFFAOYSA-N	301.350	1.390	50	20	DDGD	
O=C(NN=Cc1ccnc2ccccc12)[C@@H]1CCS(=O)(=O)C1	731314580	NWZPVWRYGRHMFC-GFCCVEGCSA-N	317.370	1.120	50	20	DDGD	
O=C(/C=C/c1ccc2c(c1)OCO2)NNC(=O)[C@H]1CCCCO1	492998654	ZJCWAHUAXTYCPD-VUDGCMKMSA-N	318.329	1.145	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cc3ccc(F)cc3s2)cn1	735445121	IKHUBFFYELRCAX-UHFFFAOYSA-N	318.333	1.849	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNc2ccc(OCC)cc2)CC1=O	839776706	BBKRJJYVMHIHTR-LBPRGKRZSA-N	305.378	1.787	50	20	DDGD	
COc1cc(C=NNC(=O)c2c[nH]nc2C)ccc1OC(C)=O	735411567	JLUBWIPNWARYAK-UHFFFAOYSA-N	316.317	1.416	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)C[C@H]1C[C@H]2CC[C@H]1O2	836217890	MIXWDPMRIJTIAM-LERXQTSPSA-N	322.336	1.310	50	20	DDGD	
C/C(=C/c1ccccc1Cl)C(=O)NNC(=O)Cc1cc[nH]n1	588445531	BLIWOVJGSNFTIV-NTMALXAHSA-N	318.764	1.857	50	20	DDGD	
Cc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(B(O)O)cc1	584947397	OSOWKDXMJGAHPS-SFHVURJKSA-N	323.201	1.522	50	20	DDGD	
COC(=O)/C(C#N)=C/c1ccc(OCCN2CCOCC2)cc1	731939884	WNIGBHMAKNVUNC-NTCAYCPXSA-N	316.357	1.478	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)C1CN(C2CCCCC2)C1	837535283	MNTNVJQQUNGZEY-UHFFFAOYSA-N	308.813	1.865	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OC[C@@H]1CCNC(=O)CC1	837562850	SBBKAPUPOGJSFM-GFAPJHNFSA-N	314.341	1.759	50	20	DDGD	
CCn1ccnc1[C@H](C)NC(=O)NNc1cccc(OC)n1	836627204	KATYIRBNGBIPQT-JTQLQIEISA-N	304.354	1.694	50	20	DDGD	
Cc1ccc([C@@H]2CCCN2C(=O)c2cccc(B(O)O)c2)cc1	584926833	DAYKLDWUEIXHRY-KRWDZBQOSA-N	309.174	1.652	50	20	DDGD	
COc1ccc(C2(C(=O)N3CC[C@H](B(O)O)C3)CCCC2)cc1	585071772	AKOPXKHWPZVUKQ-AWEZNQCLSA-N	317.194	1.582	50	20	DDGD	
O=C(N[C@H]1C[C@@]12CCCc1ccccc12)c1cccc(B(O)O)c1	584966371	YICBUQGDRBOTCE-PKOBYXMFSA-N	321.185	1.143	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)ncn1	734255334	WKQGZGWYRZUMKY-HNNXBMFYSA-N	322.372	1.769	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1C[C@@H](C)Oc2ccccc21	838648673	MTMAZPNICVNRMG-ZYHUDNBSSA-N	307.350	1.266	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)[C@H]1CCCCO1)c1cccnc1	833236517	RZWHZSVWGYGRLX-ZIAGYGMSSA-N	305.378	1.538	50	20	DDGD	
COCC(CC(C)C)=NNC(=O)[C@@H]1COc2ccccc2O1	730722491	RBOUWCRFPDWHPX-HNNXBMFYSA-N	306.362	1.991	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC(O)(Cc2ccccn2)CC1	912439093	PEIWCHZNEBHYSH-BUHFOSPRSA-N	315.373	1.422	50	20	DDGD	
COc1ccnc(NNC(=O)C[C@H](C)C(=O)c2ccccc2)n1	732752579	KXTHKPAIWGFSGS-NSHDSACASA-N	314.345	1.837	50	20	DDGD	
Cc1ccc(COc2ccc(C=NNC(=O)C(N)=O)cc2)cc1	916274220	HZGQOGIQKXLTBA-UHFFFAOYSA-N	311.341	1.509	50	20	DDGD	
CC(C)CCNC(=O)[C@@H]1CSCN1S(=O)(=O)CCl	830397654	QUZRAIYMWVCZIP-VIFPVBQESA-N	314.860	1.050	50	20	DDGD	
C[C@H](NS(=O)(=O)CCl)c1noc(-c2ccccc2)n1	830869229	RONQOSPWOJZISY-QMMMGPOBSA-N	301.755	1.913	50	20	DDGD	
CN(Cc1nc(=O)o[nH]1)C(=O)[C@@H](Br)C(C)(C)C	911451572	MYFNXHWPVKYWDV-SSDOTTSWSA-N	306.160	1.131	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NCc1ccon1	747596321	MEMOKFZWEKXDDT-SECBINFHSA-N	322.296	1.112	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNc2ccnc(N(C)C)n2)s1	740102634	DBZYZUQCPQFTNS-UHFFFAOYSA-N	305.363	1.564	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@H]2CCOC2=O)cc1	916595404	HFTZGLZPWURXLZ-TZIYXEQSSA-N	301.298	1.851	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@@H](C)[C@@H]1CCCNC1	841927219	NLVWLMZMJRJSEE-DZGCQCFKSA-N	318.421	1.256	50	20	DDGD	
C[C@H]1CCCc2ncc(C(=O)NNC(=O)c3cccn3C)n21	844302135	DHAQPMOJRFBMQX-JTQLQIEISA-N	301.350	1.194	50	20	DDGD	
Cc1ccc(C(C)(C)C(=O)NNC(=O)CN2CCCC2=O)cc1	913731052	SEHHIHXKZGJORN-UHFFFAOYSA-N	317.389	1.042	50	20	DDGD	
CC[C@H]1CN(CC(=O)NNC(=O)c2ccc(F)cc2)[C@@H](C)CO1	844391372	QDOKLXUYUBAXMP-FZMZJTMJSA-N	323.368	1.086	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCc2cc(CC)no2)cc1	741275673	QNIWRAOACINKCA-UHFFFAOYSA-N	316.361	1.944	50	20	DDGD	
CN1CCC(C(=O)Nc2cccc(NC(=O)NN(C)C)c2)CC1	843870597	KKAITYSIELLAFD-UHFFFAOYSA-N	319.409	1.565	50	20	DDGD	
CC(C)c1c(C(=O)NNC(=O)N(C)C)cnn1-c1ccccc1	746006238	YTESPNHVQKEVNR-UHFFFAOYSA-N	315.377	1.912	50	20	DDGD	
CC(=NNC(=O)c1ccc(N)cc1)c1ccc2c(c1)CC(=O)N2	915935321	NEJHIMCZJUFVKQ-UHFFFAOYSA-N	308.341	1.917	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Cc1ccc2c(c1)OC(F)(F)O2	845212795	LGCVAHRUINRVGL-UHFFFAOYSA-N	314.288	1.744	50	20	DDGD	
N[C@H]1CCC[C@@H](NC(=O)NNc2cc(F)c(F)cc2F)C1	841980865	ITRNBDKZMVLQIS-JGVFFNPUSA-N	302.300	2.000	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccccc1OC1CCC1	843650587	DZQRKADFPIKPII-WCQYABFASA-N	318.373	1.804	50	20	DDGD	
COc1cc(C)c(S(=O)(=O)NNC(=O)CC(C)C)c(C)c1	914845912	ZEONPJCRBFNKOD-UHFFFAOYSA-N	314.407	1.668	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)N[C@@H]1CCCNC1	841943735	ULXZCOSLASSKMN-DLUQRMLASA-N	320.437	1.285	50	20	DDGD	
C[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)[C@@H]1c1ccccc1	748822298	AQTXEKQBXMXQGL-WFASDCNBSA-N	303.406	1.873	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C[C@@H](CC#N)c1ccccc1	843654204	HFWFBWRQDJSJPS-CFVMTHIKSA-N	315.373	1.646	50	20	DDGD	
CS(=O)(=O)CCCNC(=O)NNc1cc(F)ccc1F	918171723	XJPMHGHFGDKSNN-UHFFFAOYSA-N	307.322	1.026	50	20	DDGD	
Cc1cnc(OC(C)C)c(NC(=O)NNC(=O)CCCN)c1	841252324	AWSDOKHOGQHHEI-UHFFFAOYSA-N	309.370	1.069	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNc1ncccn1)C(=O)OC(C)(C)C	847430920	LPRZMPVIPSJQJL-LLVKDONJSA-N	323.397	1.717	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cccc2c1OCCCO2	845299427	ZYJCANXOVTZQTN-UHFFFAOYSA-N	305.334	1.202	50	20	DDGD	
CSSCCNC(=O)N1CCCc2c(cnn2C)C1	840369653	ZRHGZZHVQKSHTJ-UHFFFAOYSA-N	300.453	1.889	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)C2CCCC2)c1	744476386	YFMAWRIFRLUSMS-UHFFFAOYSA-N	304.346	1.489	50	20	DDGD	
COc1cccc2cc(C(=O)NNc3ncnc4[nH]cnc34)oc12	743470587	GXJCVVCJRKQTCX-UHFFFAOYSA-N	324.300	1.865	50	20	DDGD	
CCCCOc1ccc(C(=O)NN(C)C[C@H](C)O)cc1OC	910184222	XNKGQAZHCXPHGD-LBPRGKRZSA-N	310.394	1.832	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@@H]1C[C@H]1c1cccc(O)c1	840446491	ULGQEEAOOQSBIB-VHSXEESVSA-N	317.267	1.388	50	20	DDGD	
COCC[C@H](C)CNC(=O)NNC(=O)CCOc1ccccc1	840398730	GOGMFRZQEPLRLE-ZDUSSCGKSA-N	323.393	1.459	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)Nc2c(F)cccc2F)CC1)C1CC1	847285544	NUODJCBBADGCQV-UHFFFAOYSA-N	323.299	1.241	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@@H](C)NC(=O)NNc1nc(C)cc(C)n1	840416517	MLLFFMTUUQKYHR-IAQYHMDHSA-N	307.398	1.923	50	20	DDGD	
CC(C)Oc1ccccc1CC(=O)NNC(=O)N1CCOCC1	748727605	AVTQMXQHTFSEMJ-UHFFFAOYSA-N	321.377	1.089	50	20	DDGD	
Cc1nnc(-c2ccc(C(=O)NNC(=O)NC3CC3)cc2)o1	746165963	UIABCOVCWTXOFY-UHFFFAOYSA-N	301.306	1.151	50	20	DDGD	
Cc1ncoc1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	747348584	SOUVDGLMKRKGOU-VIFPVBQESA-N	307.281	1.351	50	20	DDGD	
Cn1ccnc(NNC(=O)c2nc(Cl)ccc2Cl)c1=O	747941987	JBSNLATVUNGSQF-UHFFFAOYSA-N	314.132	1.239	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)CN1CCCC1=O)CC2	747629796	JCVITKRDPXFHKZ-UHFFFAOYSA-N	301.346	1.084	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1c(C)cccc1Cl	841515266	XKEHHNMCMSEVPN-UHFFFAOYSA-N	305.787	1.503	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1c(F)cc(F)cc1F	756800646	BHRBISYKGALZBT-UHFFFAOYSA-N	313.239	1.602	50	20	DDGD	
CCN1C[C@@H](CNC(=O)NNc2cc(F)ccc2F)CC1=O	923075878	SBNZMSXDJNJOQE-SECBINFHSA-N	312.320	1.459	50	20	DDGD	
CC[C@@H]1C[C@H](C(=O)NNC(=O)c2cccc(Cl)n2)CCO1	857323475	OJKPJXSHYYCCLX-NXEZZACHSA-N	311.769	1.701	50	20	DDGD	
C#CC[C@H](CCOC)NC(=O)NC[C@]1(C)C[C@H]1Br	858628482	HVPAHNGQBLOXIH-WZRBSPASSA-N	317.227	1.888	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)CC2CC2)c(F)c1	756408670	QSARVIJRMRNCBQ-UHFFFAOYSA-N	309.297	1.565	50	20	DDGD	
O=C(C[C@@H]1CSCCS1)NNC(=S)NCC1CCC1	752294183	SVNBDROTGFBABG-SNVBAGLBSA-N	319.521	1.521	50	20	DDGD	
Cn1ccc(CCNC(=O)NC[C@@]2(C)C[C@H]2Br)n1	856849979	VBOIFGDAWKOKLC-ZYHUDNBSSA-N	315.215	1.435	50	20	DDGD	
O=C(NNC(=O)C(F)(F)c1nccs1)c1ccccc1F	756406297	ANUJQYCLAKRNFX-UHFFFAOYSA-N	315.276	1.835	50	20	DDGD	
Cc1nc(CCNC(=O)NNc2ncc(Cl)cn2)cs1	856834739	IHLHQDPAMPKVHI-UHFFFAOYSA-N	312.786	1.764	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)C[C@@H]2CC(=O)N2)cc1	854206618	ZQYXZTPSLZNJJA-LBPRGKRZSA-N	303.362	1.024	50	20	DDGD	
CNC(=S)N(C)NC(=O)Cc1csc(-c2ccc(C)o2)n1	854925688	KDASRTPUXRYEQP-UHFFFAOYSA-N	324.431	1.721	50	20	DDGD	
O=C(NN=C[C@H]1CCOc2ccccc21)[C@H]1CCS(=O)(=O)C1	752159368	CNEFMKBPDADCCP-NEPJUHHUSA-N	322.386	1.089	50	20	DDGD	
CCCN1C(=O)C(=NNC(=O)NCC2CC2)c2ccccc21	920829159	NCKMJPQQWTVXLI-UHFFFAOYSA-N	300.362	1.857	50	20	DDGD	
CNS(=O)(=O)C[C@@H]1CCCN1/C(=C\C#N)c1ccc(F)cc1	750800930	IYODGTLNECDHAD-QDECMSLZSA-N	323.393	1.704	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@H]1CCn2cncc2C1	750913308	GLGOROUQINRXEJ-VIFPVBQESA-N	314.374	1.594	50	20	DDGD	
C[C@]1(CNC(=O)c2ccc3nncn3c2)C[C@@H]1Br	857399932	GWMUBVULULIZSL-JOYOIKCWSA-N	309.167	1.633	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H](C)Sc2ccccn2)n1	753980350	GOJAXCKBRUJSTN-SECBINFHSA-N	305.363	1.504	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccccc1N1CCCC1=O	755551418	SFQHWAFIBZXIAS-UHFFFAOYSA-N	320.349	1.003	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H]2CCC[C@H](N)C2)C[C@@H]1Br	857103060	AYNIPHKPZWCDLU-MIZYBKAJSA-N	304.232	1.729	50	20	DDGD	
O=C(COc1cccc(C(F)(F)F)c1)NN=Cc1cc[nH]n1	755506749	NCRATHMQCMBNMN-UHFFFAOYSA-N	312.251	1.958	50	20	DDGD	
Cc1ccc(NCC(=O)NN=C2CN(C3CC3)C[C@H]2C)cc1	755881285	WRQGKXDFCJRYGM-CYBMUJFWSA-N	300.406	1.993	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2cccc(F)n2)C[C@H](C)S1	852708992	NDFYTRBCZXAZTL-IUCAKERBSA-N	312.370	1.401	50	20	DDGD	
CC(C)(NS(C)(=O)=O)C(=O)NNc1cc(F)cc(Cl)c1	855618699	OBLSDZDHQDCBLX-UHFFFAOYSA-N	323.777	1.250	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)N[C@H]1CCCS(=O)(=O)C1	921780111	CKSNTWQKKOASER-VIFPVBQESA-N	319.333	1.168	50	20	DDGD	
Cc1cc(CNC(=O)NC[C@@]2(C)C[C@H]2Br)n(C)n1	856856220	QRTMZEPSDIOUJK-ZYHUDNBSSA-N	315.215	1.701	50	20	DDGD	
CC(=NN(C)C(N)=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	853326943	UJWGOPINPCLQLW-SNVBAGLBSA-N	300.359	1.009	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccccn2)c(C)n1	757683927	TZRFRINNFFPOAY-UHFFFAOYSA-N	301.306	1.260	50	20	DDGD	
O=C(NNC(=O)N[C@@H]1C=CCC1)Nc1ccc2c(c1)OCO2	852506476	SQOGEZOHTDLSHO-SECBINFHSA-N	304.306	1.470	50	20	DDGD	
COc1ccc(C)cc1CC(=O)NNc1ncccc1[N+](=O)[O-]	759302492	STZYHEXAQMPQOO-UHFFFAOYSA-N	316.317	1.993	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@@H]2COCO2)c1C	861966429	WBQRGBBKQYQJJS-NXADEVLQSA-N	317.389	1.911	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCC(=O)N1)c1c(C)nn(C(C)C)c1C	863146655	YIOIYCZMTWSKJE-GFCCVEGCSA-N	305.382	1.200	50	20	DDGD	
Cc1nn(C(C)(C)C)c(C)c1C(=O)NNc1ncc(F)cn1	760912393	VZGHSAMOJXOZFP-UHFFFAOYSA-N	306.345	1.941	50	20	DDGD	
COc1ccnc(NNC(=O)CCCn2nc(C)cc2C)n1	930077881	VCJKRMRHNSGUBP-UHFFFAOYSA-N	304.354	1.222	50	20	DDGD	
CCn1cc(C(=O)NNc2nc(C)cc(C)n2)c(C2CC2)n1	864689551	GMVQSZCNDSZDGZ-UHFFFAOYSA-N	300.366	1.944	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cocc2C)cc1	861765264	POOKPFSWSRWKKZ-UHFFFAOYSA-N	302.330	1.990	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)c2ccc3sccc3c2)nn1	761584639	AABYONCYHJODHF-UHFFFAOYSA-N	313.342	1.547	50	20	DDGD	
C[C@H](NNC(=O)c1cccc(N2CCOC2=O)c1)C(F)(F)F	862308461	AWFMDCDKBUSAJG-QMMMGPOBSA-N	317.267	1.828	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@@H]1CCn2cncc2C1	863097091	CINRRNHAWQDIIK-SSDOTTSWSA-N	312.242	1.264	50	20	DDGD	
O=C1CSC[C@@H](C(=O)NNc2ccc(C(F)(F)F)cc2)N1	935022687	KUPOJCKZMPRJFF-VIFPVBQESA-N	319.308	1.380	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@H]1COc2ccccc21	863095364	DNNZJTCOZVNLPB-QMMMGPOBSA-N	310.222	1.981	50	20	DDGD	
C[C@H](NNC(=O)c1ccnc(O[C@@H]2CCOC2)c1)C(F)(F)F	862318588	RJWYXQUSDIEWLL-WCBMZHEXSA-N	319.283	1.435	50	20	DDGD	
COCCOCC(=O)NNC(=O)/C=C\c1ccc(Cl)cc1	869914164	WDDAIQMKGRAKIV-DAXSKMNVSA-N	312.753	1.164	50	20	DDGD	
COC(=O)[C@H](C)OC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	762781088	ALEVLUAQEOGIOG-YIVIPITNSA-N	301.302	1.217	50	20	DDGD	
CCOc1cc(C=NNC(=O)Cc2cc(C)[nH]n2)ccc1OC	767407944	PKZVJOINZBPSRJ-UHFFFAOYSA-N	316.361	1.818	50	20	DDGD	
N#CC1=CCN(C(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CC1	760003986	QYHIRSIUZBYPDW-SFHVURJKSA-N	311.385	1.306	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2nc3ccccc3[nH]c2=S)CCN1	862293637	KTXWNPKJUJPMNG-QMMMGPOBSA-N	317.374	1.262	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc2c1CCN2C(C)=O	769258403	DHVZZLPIDCIBAQ-SNVBAGLBSA-N	318.377	1.794	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)NC(=O)[C@@H](Br)C(C)(C)C	768146731	SBVZKIGNRPTIOW-JGVFFNPUSA-N	314.245	1.345	50	20	DDGD	
CCc1nc(CC(=O)NNC(=O)c2ccc(OC)cc2)cs1	1115885626	SWEVDCIBQAZANT-UHFFFAOYSA-N	319.386	1.718	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(Cn3cccc3)cc2)n[nH]1	1116304703	QKIFNKRJKHXVTG-UHFFFAOYSA-N	323.356	1.643	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc(CN2CCCC2=O)c1	878176455	IJENULRTGRMJDY-UHFFFAOYSA-N	320.393	1.424	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNC(=S)Nc1ccc(C)cc1C	873761121	QEKXVGRPTWXYGU-HNNXBMFYSA-N	307.419	1.948	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNC(=S)Nc2ccccn2)n1	874957562	OQYKNPCSFDHGFH-SNVBAGLBSA-N	318.406	1.240	50	20	DDGD	
NC(=O)NCc1ccc(C(=O)NNc2cc(Cl)ccn2)cc1	778453431	JMKXLJKJTXNPCH-UHFFFAOYSA-N	319.752	1.660	50	20	DDGD	
COCCN(C)NC(=O)Nc1cnc(-c2ccccc2)nc1	878347950	BVRXZDDHQVYOCG-UHFFFAOYSA-N	301.350	1.758	50	20	DDGD	
C[S@](=O)c1cccc(C(=O)NNC(=O)CC2CCCC2)c1	771741966	SMOIBDVZQCDUFQ-NRFANRHFSA-N	308.403	1.765	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)N[C@@H]1CC12CCC2	873255893	KDTOYSXZIGYKMU-QWHCGFSZSA-N	317.345	1.099	50	20	DDGD	
COc1csc(C(=O)NNC(=S)NCCSC)c1	770240023	LNGZVPYXJDUWKE-UHFFFAOYSA-N	305.450	1.229	50	20	DDGD	
CCCS(=O)(=O)c1ccccc1C(=O)NNc1cnccn1	775281480	SNYRYBGKNKYPDI-UHFFFAOYSA-N	320.374	1.417	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CC12CCCC2	772169372	HBJJKVLBDYOAAP-RYUDHWBXSA-N	310.394	1.692	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2ccc(OC(F)(F)F)cc2)C1=O	773458537	LDXHWTLMUNMDPW-SNVBAGLBSA-N	317.267	1.507	50	20	DDGD	
Cc1ccnc2c(S(=O)(=O)NNC(=O)N(C)C)cccc12	777618661	LKXBMVYTFQTHLH-UHFFFAOYSA-N	308.363	1.008	50	20	DDGD	
CC(C)N(C)CC(=O)NNC(=O)c1nc2ccccc2s1	874913903	VOWNPKZVWOTXLM-UHFFFAOYSA-N	306.391	1.398	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc(NC(=O)C2CC2)cc1	770333271	DIPDPXBPMRTAKY-UHFFFAOYSA-N	304.350	1.844	50	20	DDGD	
O=C(NN=C1CCN(CCC(F)(F)F)CC1)N1CCOCC1	779770156	AXAPPZSCQPJYCW-UHFFFAOYSA-N	322.331	1.432	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(C(F)(F)F)nc1C	887140610	LVQZHGORHFNMGG-UHFFFAOYSA-N	313.279	1.973	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@H]2CCC(=O)[C@H]2C)cc1O	882049515	BAYYASFRXUHIAI-WDEREUQCSA-N	304.346	1.467	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1ccc2nsnc2c1	776706758	SQBHQLQYNDHRFL-UHFFFAOYSA-N	317.330	1.429	50	20	DDGD	
CSCCNC(=S)NNC(=O)C12CCC(CC1)CC2	1120627862	AZYAULZOAVZZFY-UHFFFAOYSA-N	301.481	1.815	50	20	DDGD	
COC(=O)C(C)(C)n1cc(NC(=O)NCC(Cl)Cl)cn1	880142667	RTMCTPUBOOKHPN-UHFFFAOYSA-N	323.180	1.716	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)NC1(Cc2ccccc2)CC1	883752672	VIZCFRVMRRBHOM-UHFFFAOYSA-N	311.345	1.196	50	20	DDGD	
O=C(CCOC[C@H]1CCCO1)NNc1cc(F)ccc1F	885145257	VPXGICPXWCVBOU-LLVKDONJSA-N	300.305	1.994	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc2c(c1)CCN2C(C)=O	887140677	OHMZYSHMHFUTRU-UHFFFAOYSA-N	313.357	1.160	50	20	DDGD	
Cn1nccc1[C@H]1C[C@H](NS(=O)(=O)CCCCl)CCO1	882240236	ZBPCXRXUJOFCKU-ZYHUDNBSSA-N	321.830	1.189	50	20	DDGD	
N#Cc1ccc(NNC(=O)NCCCN2CCCCC2)nc1	887640330	WKJUGAIKVPSBDJ-UHFFFAOYSA-N	302.382	1.455	50	20	DDGD	
COc1cc(NNC(=O)N[C@H](C)c2nncn2C)ccc1Cl	788874116	JCBGOGUWISKWFO-MRVPVSSYSA-N	324.772	1.864	50	20	DDGD	
CC(C)C[C@@]1(CO)CCCN1CC(=O)NNC(=O)C(C)(C)C	789512717	BEMWTKHVQGDRNM-MRXNPFEDSA-N	313.442	1.053	50	20	DDGD	
O=C(Cc1cncs1)NNC(=O)Cc1c[nH]c2ccccc12	782654411	OOABQDMRFQRLFS-UHFFFAOYSA-N	314.370	1.557	50	20	DDGD	
CO[C@@H]1CCOC[C@H]1NC(=O)NNc1ccc(F)c(F)c1	898077776	KCWUNLCMWRLMDP-VXGBXAGGSA-N	301.293	1.395	50	20	DDGD	
CCOC(=O)N(C)CCCC(=O)NNc1ccc(C#N)cc1	897150603	GDWFQIULYMBZEV-UHFFFAOYSA-N	304.350	1.870	50	20	DDGD	
CC(C)(C)NC(=O)CCNC(=O)NNc1ncncc1Cl	780977043	FQXDOMNLIBJLMV-UHFFFAOYSA-N	314.777	1.061	50	20	DDGD	
C[C@H](C#N)CNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	781942785	GTQDKNHEMWDEDP-GYPVXTSCSA-N	304.394	1.693	50	20	DDGD	
C[C@]1(CNC(=O)NCC[C@@H](O)C2CC2)C[C@H]1Br	895924203	TYHVXCAELLNVSU-CKYFFXLPSA-N	305.216	1.620	50	20	DDGD	
COc1ccc([C@@H]2C[C@H]2NC(=O)NNC(=O)CC(C)C)cc1	793234230	XREYJTYVROHZTA-UONOGXRCSA-N	305.378	1.928	50	20	DDGD	
C[C@H](Oc1ccc(C=O)cc1)C(=O)NNC(=O)c1ccncc1	794714543	IQWJQGYNHOEHDC-NSHDSACASA-N	313.313	1.123	50	20	DDGD	
C[C@H]1COC(=O)C1=NNC(=O)c1cc(-c2cccs2)[nH]n1	794917806	IYLTUKPFANZDMZ-ZETCQYMHSA-N	304.331	1.417	50	20	DDGD	
O=C(COCCc1ccccc1)NNc1nc2ccccn2n1	791243130	MXYXYTRZQHBRKZ-UHFFFAOYSA-N	311.345	1.432	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cnc(C(F)(F)F)nc1	791245086	RSQGAVPCPRYUST-UHFFFAOYSA-N	323.238	1.295	50	20	DDGD	
COC(=O)NNC(=O)c1c[nH]c2ccc(Br)cc12	792606861	KQYKNYOWPAYUNQ-UHFFFAOYSA-N	312.123	1.931	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2ccc(F)cc2F)n1	794086170	QCJVJOLAVKBMTC-UHFFFAOYSA-N	305.284	1.672	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1	791475867	UMPSBOMRJOKQMI-CQSZACIVSA-N	321.340	1.040	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2cnccn2)c(C)cc1C	797677077	NDQHPDGFGBWSAO-UHFFFAOYSA-N	315.333	1.569	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1c(O)ccc(Cl)c1F	790167127	LGWZMUCGEXTEGO-MRVPVSSYSA-N	318.732	1.686	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@H](c2ccccn2)C1	799193590	LYCCHTRRSIZTDG-KBPBESRZSA-N	318.421	1.453	50	20	DDGD	
C[C@H](NC(=O)NNc1nncc(N)c1Cl)c1ccccn1	1319392400	GFIXSZOSZGCRIK-ZETCQYMHSA-N	307.745	1.495	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ncoc1[C@H]1CCCO1	1319178472	SVHQAKRNCGZVRU-SECBINFHSA-N	319.277	1.586	50	20	DDGD	
O=C1CC[C@@H]2CN(C[C@H](CBr)C3CC3)CCN12	701837319	GLYYMZKFMYWHIH-NWDGAFQWSA-N	301.228	1.714	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2cnc(C3CC3)[nH]2)ccc1F	1324690102	MSYXIXIIQJKANJ-UHFFFAOYSA-N	318.308	1.970	50	20	DDGD	
O=C1Cc2cc(C(=O)NNc3cccnn3)c(Cl)cc2N1	1323759648	INXZSSRBUJAMAZ-UHFFFAOYSA-N	303.709	1.382	50	20	DDGD	
Cc1cccc(Cl)c1NC(=O)NNC(=O)C1CCNCC1	1326089163	YVOITAKGGIBDDA-UHFFFAOYSA-N	310.785	1.801	50	20	DDGD	
C[C@H](O)c1ncc(C(=O)NNC(=O)OCC(F)(F)F)s1	1329417348	RNSBTKUUTWFZDW-BYPYZUCNSA-N	313.257	1.130	50	20	DDGD	
CNNC(=O)c1cc([N+](=O)[O-])ccc1I	704682655	YEXRINWINSGTCE-UHFFFAOYSA-N	321.074	1.064	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)Nc1nc(C2CCC2)cs1	1327439763	LIDHQONFZXDCLS-UHFFFAOYSA-N	323.422	1.563	50	20	DDGD	
Cc1nnc(NNC(=O)C[C@H](C)c2c(C)noc2C)nc1O	1320153385	VHBXBXLHNJXKLX-LURJTMIESA-N	306.326	1.127	50	20	DDGD	
Cc1nnc(O)c(C(=O)NNc2ncnc3ccsc23)c1C	1253124729	YQIJUKMUCLFXRM-UHFFFAOYSA-N	316.346	1.561	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cccc(C(=O)N2CCCCC2)c1	1346970063	CHIQGMFLQVTOHW-UHFFFAOYSA-N	319.361	1.656	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2n[nH]cc2Br)n1	1345423191	LEEIWICGIHZPKO-UHFFFAOYSA-N	311.143	1.336	50	20	DDGD	
Cc1cccc(NNC(=O)C(=O)Nc2ccc(C3CC3)nn2)n1	1348354876	FGFSMXMHNYARRE-UHFFFAOYSA-N	312.333	1.139	50	20	DDGD	
C[C@@H]1CN2CCN1C[C@H]2C(=O)NNc1ccc(F)cc1Cl	1353039989	USGATSOLBMWHLU-RNCFNFMXSA-N	312.776	1.311	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2cc(C)c(C(=O)O)o2)n1	1600658420	CYWXZGIDJLLCHJ-UHFFFAOYSA-N	307.331	1.744	50	20	DDGD	
C[C@@H]1CCn2ncc(C(=O)NNc3ccccc3C(=O)O)c2C1	1604768437	NWYSCMBYZVEAPQ-SNVBAGLBSA-N	314.345	1.921	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2cc(C3CC3)[nH]n2)cc1	1608781484	GKCNWWXYFXFZSJ-UHFFFAOYSA-N	300.318	1.671	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)CC[C@@H]1C[C@H](C(=O)O)CO1	1600233821	OFIQEUJMPLMHIN-CMPLNLGQSA-N	310.325	1.847	50	20	DDGD	
CCN(CCC(=O)O)S(=O)(=O)c1ccc(CCCl)cc1	1605444398	JPZMZMZSLSAIAD-UHFFFAOYSA-N	319.810	1.953	50	20	DDGD	
CSSCCNc1nc2c(cc1-c1nn[nH]n1)COCC2	1609372297	YPTFKDNZOMUDPE-UHFFFAOYSA-N	324.435	1.758	50	20	DDGD	
O=C(CCOc1ccccc1)NN[C@@H](C(=O)O)c1ccsc1	1608313730	VXWJVPAJYWJPEH-CQSZACIVSA-N	320.370	1.964	50	20	DDGD	
CCC(COC)=NNC(=O)[C@H]1CCCO[C@H]1c1ccnn1C	1549322628	ZXQSFDNRPMZZIX-GXTWGEPZSA-N	308.382	1.416	50	20	DDGD	
O=C(NN=Cc1ccc(C(F)F)nc1)[C@H]1CN2CCC[C@H]2CO1	1549905977	WLPCLSZKJURRRR-WCQYABFASA-N	324.331	1.333	50	20	DDGD	
C[C@@H]1OCC(=NNC(=O)[C@@H]2CCCO[C@@H]2c2ccnn2C)[C@@H]1C	1549312680	CDDGOEJKSCTXPG-ZAZJYDDPSA-N	320.393	1.415	50	20	DDGD	
CC(F)(F)C(C)(C)C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549684923	KOEZLGFRSNKIQS-QWRGUYRKSA-N	303.353	1.633	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H]2CCC[C@@H](N)C2)c1	1579673087	VKSSEAJMZYWSOK-ZIAGYGMSSA-N	319.405	1.347	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccc(-c2cnn[nH]2)cc1Cl	1578014271	APUXQYHOBKLXOJ-UHFFFAOYSA-N	320.740	1.688	50	20	DDGD	
C=C(CCC(=O)OC)C(=O)NNc1ccc(F)c(C(=O)O)c1	1588634219	YYURBMHWBJDJJT-UHFFFAOYSA-N	310.281	1.476	50	20	DDGD	
C[C@@H]1CCC[C@H](OCC(=O)NNc2ncccc2C(=O)O)C1	1589315992	VCXQZWYZJCJLSV-MNOVXSKESA-N	307.350	1.818	50	20	DDGD	
C=C(C)C[C@H](NC(C)=O)C(=O)NNc1cccc(C(=O)O)c1	1588546726	BJETYOUDKNVGEE-ZDUSSCGKSA-N	305.334	1.299	50	20	DDGD	
CN(NC(=O)c1sccc1-c1nn[nH]n1)C(=O)OC(C)(C)C	1591154006	AOJOCBRNLOIFCY-UHFFFAOYSA-N	324.366	1.440	50	20	DDGD	
CC/C=C(/F)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	1590535552	YKYYEYYJAKGLEG-XVNBXDOJSA-N	311.708	1.622	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)CN1CCC(C)CC1	1599376857	DTYZNXUNEHAMSS-UHFFFAOYSA-N	321.377	1.568	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1ccn(C)n1)C2	1845164139	NMCPUAAAZVCTRO-NSHDSACASA-N	324.812	1.255	50	20	DDGD	
CC[C@@H](CC(F)F)C(=O)NNc1cccc(-c2nn[nH]n2)c1	1590425160	CUVZTOMNVUFULC-QMMMGPOBSA-N	310.308	1.991	50	20	DDGD	
COc1ccc(C(=O)NNc2ncccc2C(=O)O)c(F)c1	1594078729	PTZDTNSLHMOWHU-UHFFFAOYSA-N	305.265	1.684	50	20	DDGD	
C[C@@]1(C(=O)NCc2ncc(C(=O)O)s2)C[C@@H]1Br	1593756045	AHNQTDTYPHNDAM-QUBYGPBYSA-N	319.180	1.631	50	20	DDGD	
CO[C@@H](C(=O)O)C(=O)NNc1ccccc1Cc1ccccc1	1593911391	KDXYCBUIONKXTJ-OAHLLOKOSA-N	314.341	1.820	50	20	DDGD	
CC1(C)OC[C@H]2C[C@@]21C(=O)NNc1cccc(-c2nn[nH]n2)c1	1590116471	CDYRAIRVGRHHIJ-BMIGLBTASA-N	314.349	1.125	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1	1590797231	MMZUSLFFANXZDB-YWEFTTLKSA-N	312.333	1.488	50	20	DDGD	
CO[C@@](C)(C(=O)O)C(=O)NNC(=O)c1ccc2ccccc2c1	1593927496	ZYBSJFFQECSFNI-MRXNPFEDSA-N	316.313	1.091	50	20	DDGD	
Cc1ccc2c(c1)C(=NNC(=O)c1cccc(C(=O)O)c1)C(=O)N2	1776094590	AVOHKKYKYIYGNG-UHFFFAOYSA-N	323.308	1.779	50	20	DDGD	
O=C(O)c1cc(F)c(C=NNC(=O)c2ncccn2)c(F)c1	1776081577	VIICCPGNZJPFIX-UHFFFAOYSA-N	306.228	1.217	50	20	DDGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2c(C(=O)O)cnn2C)c1	1776119478	CBAWXANVKCCAQO-XFFZJAGNSA-N	310.313	1.972	50	20	DDGD	
COc1cc(C=NNC(=O)Cc2cc(C)[nH]n2)ccc1C(=O)O	1776028499	CGSHJDZDHXIBQH-UHFFFAOYSA-N	316.317	1.118	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)Cn2nc(C)cc2C)cc1	15462449	GZWDGXMTHQREAQ-UHFFFAOYSA-N	316.361	1.360	50	20	DDGD	
O=C(NNC(=O)c1cccnc1N1CCCC1)c1ccccn1	15627554	WGMGHPLDXRHICQ-UHFFFAOYSA-N	311.345	1.152	50	20	DDGD	
CCNC(=O)N(C)NC(=O)/C(C#N)=C\c1ccc(OCC)cc1	274569526	XSCUQTJRTGTPEZ-RAXLEYEMSA-N	316.361	1.685	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	158881839	CBNJVDFECRZUTM-ZDUSSCGKSA-N	322.405	1.891	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)C(C1CC1)C1CC1	153234749	RHXFZNBNXSAHLH-UHFFFAOYSA-N	312.373	1.460	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccnn2C(C)C)cc1	153460994	LRWOYRHZXCFMIF-UHFFFAOYSA-N	316.361	1.612	50	20	DDGD	
Cn1ccc(C(=O)NNc2cccc(C(F)(F)F)n2)cc1=O	155819408	UNZBGSHCHQNMRJ-UHFFFAOYSA-N	312.251	1.556	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2COc3ccc(F)cc3C2)nc1	159491283	BPHIWAGXEBDLRU-LLVKDONJSA-N	317.320	1.924	50	20	DDGD	
O=S(=O)(CCCCCl)NC1CCC2(CC1)OCCO2	153487186	RPYSWFYKVONRKO-UHFFFAOYSA-N	311.831	1.611	50	20	DDGD	
CN(C[C@@H](O)CN1CCCC1)NC(=O)OCc1ccccc1	859387615	FAILIYYURHFKHO-OAHLLOKOSA-N	307.394	1.216	50	20	DDGD	
CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)CCl	1324706159	ISHYFGOYTDBOBA-UHFFFAOYSA-N	319.833	1.236	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cnn(-c2ccccc2)c1	8302604	VEXZKXMFCPJGBW-UHFFFAOYSA-N	317.418	1.780	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@@H](C)SC	106277567	JMBZZRCOBMCYOM-SNVBAGLBSA-N	312.391	1.363	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2ccccc2O)s1	171606488	CHKIWKAKBKEADC-UHFFFAOYSA-N	306.343	1.602	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCc1ccc(F)cc1	103504418	OFTYOLBFPDANDJ-UHFFFAOYSA-N	302.309	1.294	50	20	DDGD	
O=C(NCCNC(=O)c1ccco1)NNc1c(F)cccc1F	172470474	OAYFGHJXKOGMEE-UHFFFAOYSA-N	324.287	1.614	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)CCc2cccs2)n1	23136603	UAKSHMGFAXJPLK-UHFFFAOYSA-N	306.391	1.342	50	20	DDGD	
CN(C)N(C(=O)c1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1	68525601	QYHUVAFNTHQSOL-SNVBAGLBSA-N	318.345	1.071	50	20	DDGD	
NC(=O)NCCCCC(=O)NNc1cccc(C(F)(F)F)n1	172411053	WERNBKOUHTZBGO-UHFFFAOYSA-N	319.287	1.382	50	20	DDGD	
C#CCCCCC(=O)NNC(=O)CCc1ccc(OC)cc1	119755303	ZZUWXTNBQKYPSV-UHFFFAOYSA-N	302.374	1.969	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1cccs1	66696866	QLNFSHFPWDOOET-UHFFFAOYSA-N	305.359	1.630	50	20	DDGD	
C#CCCCCC(=O)NNC(=O)CNc1cccc(OC)c1	179750131	GVIMQHSUKZPXEM-UHFFFAOYSA-N	303.362	1.448	50	20	DDGD	
O=C(NCc1ccco1)NNS(=O)(=O)c1cccc(F)c1	64939849	HPURJNJMNAQYLZ-UHFFFAOYSA-N	313.310	1.111	50	20	DDGD	
C[C@@H]1CCCC[C@H]1CNC(=O)NNC(=O)Cc1cccnc1	170887904	WBTPWLMBFXAMBB-OCCSQVGLSA-N	304.394	1.781	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)Cc1cccnc1)c1ccncc1	176391804	XXXJVZGFICPGSZ-AWEZNQCLSA-N	313.361	1.501	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCCCCC#N	171450319	QVFOZRLEKJCURI-LLVKDONJSA-N	322.340	1.617	50	20	DDGD	
CC[C@@H](OC)C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	68176344	KMDCNMWONHVDKY-QWHCGFSZSA-N	308.378	1.643	50	20	DDGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CCC[C@@H](O)C1	37507460	QPKXQAHLMYQAQO-GFCCVEGCSA-N	303.811	1.613	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2ccc(F)cc2)c(F)c1	181357241	LCIKWTYHFZTVSW-UHFFFAOYSA-N	316.267	1.918	50	20	DDGD	
Cn1c(NNC(=O)c2ccccc2O)nc2ccccc2c1=O	70905233	KTUXSGDOAQCZQD-UHFFFAOYSA-N	310.313	1.396	50	20	DDGD	
CCCN1CCC[C@@H]1C(=O)NNC(=O)c1ccc(Cl)nc1	124325595	AWBKIMDLVTXFAW-LLVKDONJSA-N	310.785	1.370	50	20	DDGD	
CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NNc1ccccn1	181184010	VXRLJZDBXORBGK-OAHLLOKOSA-N	310.357	1.498	50	20	DDGD	
O=C(NCCOCC(F)(F)F)NNc1cccc([N+](=O)[O-])c1	79143466	DQPWKEVZDRRIHL-UHFFFAOYSA-N	322.243	1.800	50	20	DDGD	
Cc1cc(NNC(=O)Cc2ccc3c(c2)OCCO3)nc(C)n1	129028202	CYKMZUCPWPDPNP-UHFFFAOYSA-N	314.345	1.550	50	20	DDGD	
CC[C@H](CC1CCCCC1)C(=O)NNC(=O)C(=O)NC(C)C	74688198	PMLOAOGPHDSPNZ-CYBMUJFWSA-N	311.426	1.655	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1cc(C)c(C)o1	130133217	XHIMASPHIRYWGC-UHFFFAOYSA-N	318.329	1.745	50	20	DDGD	
Cn1ccc2c(C(=O)NNc3cc(Cl)nc(N)n3)cccc21	134081023	IDFPZJSJVSLMCR-UHFFFAOYSA-N	316.752	1.961	50	20	DDGD	
COc1cc(Br)ccc1C(=O)NNC(=O)N(C)C	195371281	RCYIERMSZOTYQR-UHFFFAOYSA-N	316.155	1.374	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)NC)nn1-c1ccccc1Cl	131890709	DOGZGOSJXJLBFM-UHFFFAOYSA-N	322.756	1.057	50	20	DDGD	
Cc1nc(CSCC(=O)NNC(=O)NCC2CC2)cs1	139372682	UQLPMVCBMCVWDB-UHFFFAOYSA-N	314.436	1.425	50	20	DDGD	
C#CCCCC(=O)NNC(=S)Nc1ccc(N(C)C)cc1	192112722	DPPWLRLQMHOXNQ-UHFFFAOYSA-N	304.419	1.874	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C(C)(C)F)cc1	131809180	PEZSZLVFZUSXOY-SNVBAGLBSA-N	312.341	1.748	50	20	DDGD	
Cc1c([C@H](C)NC(=O)NNC(=O)c2ccccc2)cnn1C	47006972	DXLLUEFLQCNMLZ-JTQLQIEISA-N	301.350	1.434	50	20	DDGD	
CCCC(=O)N1CCC[C@H](C(=O)NNC(=O)c2ccc(C)o2)C1	84374053	BUOPZKIGHDZQIF-LBPRGKRZSA-N	321.377	1.388	50	20	DDGD	
Cc1ccn2cc(CNC(=O)NNC(=O)C(C)(C)C)nc2c1	80103469	ITBALZMBIAPKMW-UHFFFAOYSA-N	303.366	1.519	50	20	DDGD	
COc1ccc(NNC(=O)c2snnc2C)c([N+](=O)[O-])c1	190570653	NZPKEJPGUIAFMC-UHFFFAOYSA-N	309.307	1.520	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1nc(C)cc(C)n1)C1CCCC1	193261200	XJPXHEZCKJIJBQ-ZDUSSCGKSA-N	305.382	1.231	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CN2CCc3ccccc32)cc1	142356265	YOENNRGEKUPUMA-UHFFFAOYSA-N	320.352	1.382	50	20	DDGD	
C=CCOc1cccc(C=NNC(=O)C(=O)N2CCCC2)c1	252614248	JHOUHEBYMHKGHH-UHFFFAOYSA-N	301.346	1.324	50	20	DDGD	
COCCCOc1ccc(C(=O)NNc2cccnn2)cn1	265552955	QPEHOGFQXPOAFP-UHFFFAOYSA-N	303.322	1.044	50	20	DDGD	
CC[C@H](OC)C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1	269088566	YFPBMRRITZFDKS-ZDUSSCGKSA-N	320.324	1.402	50	20	DDGD	
C[C@@H](C(=O)NNc1ncnc2ccsc12)N1CCSCC1	269698167	QFQLNXHYFQDBDR-VIFPVBQESA-N	323.447	1.572	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)NCCC2CC2)cc1	266756794	FROFHNFFJNEJNC-UHFFFAOYSA-N	307.350	1.205	50	20	DDGD	
C[C@@H](CO[C@H]1CCOC1)NC(=O)NNc1c(F)cccc1F	267847676	DKPAOJBMWPLHRH-UWVGGRQHSA-N	315.320	1.785	50	20	DDGD	
COC(=O)Nc1cccc(C(=O)NNC(=O)NC2CCCC2)c1	264215017	VDHNTPPRYPETDM-UHFFFAOYSA-N	320.349	1.752	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)Cn1cnc2ccccc21	269508063	TVISOUXDAMNSOP-LBPRGKRZSA-N	306.391	1.325	50	20	DDGD	
COc1cc(CC(=O)NNC(=O)c2ccc(C)o2)ccc1C	267655342	ADWAVZXQQYVKBR-UHFFFAOYSA-N	302.330	1.909	50	20	DDGD	
COc1c(C)ccc(NC(=O)C(=O)NNC(=O)CC(C)C)c1C	274214599	UJQSFVMNJAFGAX-UHFFFAOYSA-N	321.377	1.444	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2ccccc2)C[C@@H](C2CC2)O1	279592731	HUXMZEITHQROTG-RISCZKNCSA-N	303.362	1.540	50	20	DDGD	
O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NNC(=O)C1CC1	279134675	NGOFZUDHCVXDQV-UHFFFAOYSA-N	315.688	1.487	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H]2CCSC2)c1	279354583	SFNJPASYAWCKIX-SNVBAGLBSA-N	309.391	1.852	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cncn2C)c1C	277594549	XCEWQBRLQWEUMJ-GFCCVEGCSA-N	316.361	1.265	50	20	DDGD	
O=C(CCOCC(F)F)NNc1nc(-c2cccnc2)no1	277274140	OTXPMVLVJMFBGP-UHFFFAOYSA-N	313.264	1.247	50	20	DDGD	
COc1cccc(NNC(=O)NCCc2csc(C)n2)n1	272419329	MWESJKLYCRYIOP-UHFFFAOYSA-N	307.379	1.724	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)CCC(C)=O	270567647	MMMHFHOAKWNEAA-UHFFFAOYSA-N	310.375	1.304	50	20	DDGD	
O=C(NNC(=O)C1CC1)C(=O)Nc1cccc2c1CCCC2	274043825	JWIFHPKYHVAHIW-UHFFFAOYSA-N	301.346	1.061	50	20	DDGD	
C[C@@](O)(CC(=O)NNc1cccc(S(C)(=O)=O)c1)C1CC1	272028026	OMUMURSYRFUKME-CQSZACIVSA-N	312.391	1.084	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1C1CC1)c1cc2ccccc2o1	278855411	AZHDGZZMSCDXMC-ZDUSSCGKSA-N	313.357	1.821	50	20	DDGD	
CO[C@H]1CCC[C@H](CC(=O)NNC(=O)c2ccccc2O)C1	280905469	GBXUPDVBNWVLNC-RYUDHWBXSA-N	306.362	1.749	50	20	DDGD	
COC(=O)[C@H]1CC[C@H]1C(=O)NNc1cccc(C(F)(F)F)n1	287685228	PVHZPEBLVSYXAK-SFYZADRCSA-N	317.267	1.743	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1C(=O)NNc1nc(O)c2cnn(C)c2n1	280289401	XBXQEXLLTOYJBO-UWVGGRQHSA-N	318.381	1.728	50	20	DDGD	
Cn1nccc1COCC(=O)NNc1nccnc1C1CCC1	286878850	FBQMLDSRYSMMEZ-UHFFFAOYSA-N	316.365	1.138	50	20	DDGD	
CC(C)(C)CCCCC(=O)NNC(=O)C(=O)Nc1ccccn1	287458094	RXXRTXXHDKHJJB-UHFFFAOYSA-N	320.393	1.774	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2(C)CCCC2)cc1C	281261894	PASUURDCDLTGAM-UHFFFAOYSA-N	317.389	1.970	50	20	DDGD	
CO[C@H]1CCC[C@@H](CC(=O)NNC(=O)CNc2ccccc2)C1	280000741	MQYUQBXFYGJGCO-HIFRSBDPSA-N	319.405	1.841	50	20	DDGD	
O=C(CCCC1CCOCC1)NNC(=S)Nc1ccccn1	281436438	FORTVBZJHNQXFE-UHFFFAOYSA-N	322.434	1.996	50	20	DDGD	
O=C(/C=C/Sc1ccccc1)NNC(=O)N1CCOCC1	299386550	PVSOVMGLYJXXRU-IZZDOVSWSA-N	307.375	1.365	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)C2CC(C)(C)C2)c1	803755170	HDBNBIFKMHWQFW-UHFFFAOYSA-N	318.373	1.735	50	20	DDGD	
CC[C@@H](OC)C(=O)NNC(=O)c1cc(-c2ccc(C)cc2)n[nH]1	299363393	ZJPZSFMXXUVCJV-CQSZACIVSA-N	316.361	1.571	50	20	DDGD	
CCn1cc([C@H](C)NC(=O)NNc2cncc(Cl)n2)cn1	297314770	AVOGNSFVNNCEMS-QMMMGPOBSA-N	309.761	1.734	50	20	DDGD	
O=C(CN1C(=O)COc2ccccc21)NNc1cccc(F)n1	804771470	YWMVBIBMELHFQX-UHFFFAOYSA-N	316.292	1.089	50	20	DDGD	
C[C@@H](CN(C)C)NC(=O)NNC(=O)Nc1cc(F)cc(F)c1	298000853	OAFCKZBIIFRNHF-QMMMGPOBSA-N	315.324	1.251	50	20	DDGD	
Cc1cccc(CC(=O)NNC(=O)[C@@H]2CCCCO2)c1Cl	295657393	VQMGXZFXXJTMQD-LBPRGKRZSA-N	310.781	1.907	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1c[nH]nc1C(C)(C)C	294199735	VJDQLXSOJRMULT-UHFFFAOYSA-N	316.361	1.791	50	20	DDGD	
COCCn1cc(NC(=O)NNc2cccc(Cl)n2)cn1	291742430	JGOPUCIKVIUVID-UHFFFAOYSA-N	310.745	1.727	50	20	DDGD	
CCCOc1ccc(OCC(=O)NNC(=O)CC2CC2)cc1	294023486	CLJDUTFTXMDRPI-UHFFFAOYSA-N	306.362	1.802	50	20	DDGD	
O=C(NNc1ccncn1)Nc1ccc(O[C@H]2CCOC2)cc1	296695151	DMQPVZWDYVCDKK-ZDUSSCGKSA-N	315.333	1.793	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)CC(C)C)Cc1ccccc1	297070476	YXUOSWXYDCHOKP-CQSZACIVSA-N	307.394	1.621	50	20	DDGD	
Cc1nnc(CC(=O)NNc2ccccc2OC(F)(F)F)o1	291595436	DWBYFSJATCDSCZ-UHFFFAOYSA-N	316.239	1.962	50	20	DDGD	
Cc1nn(C(C)C)c(C)c1CC(=O)NNc1ncncc1F	294760804	ZWSWCYPZZARAGF-UHFFFAOYSA-N	306.345	1.696	50	20	DDGD	
N#Cc1cc(NC(=O)C(=O)NNc2cccc(F)n2)ccc1F	807390554	FUKABQVWAYVDTI-UHFFFAOYSA-N	317.255	1.313	50	20	DDGD	
COCc1cccc(CNC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	297656860	UUUDWYHWLBYPQL-FZMZJTMJSA-N	321.377	1.231	50	20	DDGD	
N#Cc1ccsc1NC(=O)C(=O)NNC(=O)CC1CCCC1	293628384	HJTCFFYBNUKOAZ-UHFFFAOYSA-N	320.374	1.286	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)[nH]1	802102281	KITOMWVGQFQCKQ-UHFFFAOYSA-N	313.273	1.082	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)CCc2ccon2)c1	816806545	FUGWBYWNGJSHKC-UHFFFAOYSA-N	302.334	1.134	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2ccnc(N(C)C)c2)CC[C@H]1C(=O)O	814844472	KOZXTOCJGJRJNF-ZWNOBZJWSA-N	318.377	1.754	50	20	DDGD	
CC(C)c1ccc(OCC(=O)NNC(=O)c2ccnnc2)cc1	817692256	INIMMWAWPVKMPJ-UHFFFAOYSA-N	314.345	1.440	50	20	DDGD	
COC(=O)[C@H]1C[C@H]2CC(=NNC(=O)c3ccccc3O)[C@H]1C2	817321832	CCCXLDZSQBWUAK-DLOVCJGASA-N	302.330	1.697	50	20	DDGD	
CC(C)(C)n1cnc(C(=O)NNc2cnnc3ccccc23)n1	812508624	DEMBFDZLYRFWES-UHFFFAOYSA-N	311.349	1.733	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CCc3nc[nH]c3C2)cc(C#N)n1C	819968009	QAQOADJOOHLTQF-WLRTZDKTSA-N	320.356	1.420	50	20	DDGD	
Cn1ccnc1CNC(=O)NNc1ccc(OC(F)F)cc1	728753547	SDZPYESNYFOTDG-UHFFFAOYSA-N	311.292	1.848	50	20	DDGD	
COc1ccc(-c2nc(C(=O)NNc3nc[nH]n3)cs2)cc1	816631681	ZZMHNONKBNJLGS-UHFFFAOYSA-N	316.346	1.694	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1cnc2c(F)cccc2c1	815475315	GHENYKWWBGLWBB-UHFFFAOYSA-N	313.292	1.101	50	20	DDGD	
C[C@@H](C#N)Oc1ccc(C=NNC(=O)N2CCOCC2)cc1	727684342	HLQUFVCILKBYKI-LBPRGKRZSA-N	302.334	1.353	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2COc3ccccc3O2)cc1	729272996	ASZRPKSSSCEZNL-OAHLLOKOSA-N	300.314	1.978	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c1	826180458	IOHPRTCAJREOKW-UHFFFAOYSA-N	317.284	1.099	50	20	DDGD	
CN1CCCC(=NNC(=O)CCNC(=O)OC(C)(C)C)CC1	497264834	NLMDJYAYMSSLAD-UHFFFAOYSA-N	312.414	1.489	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H]1CC[C@H](CO)CC1	491015097	ZLNKMNOWBMKQRB-AGQHDUKJSA-N	300.358	1.966	50	20	DDGD	
CN1C(=O)CS/C1=C/C(=O)NNc1nccnc1C1CCC1	822927873	SXOCKCZPTZTENO-KPKJPENVSA-N	319.390	1.234	50	20	DDGD	
CCOC(=O)NNC(=O)c1ncoc1-c1ccc(OC)cc1	496666419	VZBYPTANRMPZHJ-UHFFFAOYSA-N	305.290	1.741	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNc1ccnc(Br)c1	828730368	OCWTZZNEWRHYOB-ZJUUUORDSA-N	312.167	1.878	50	20	DDGD	
CC(C)C[C@@H](NC(=O)O)C(=O)NNc1ccc(Cl)nc1	826801199	WXTDGKKETPKGDQ-SECBINFHSA-N	300.746	1.860	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NNC(=O)c1ccccc1	726189130	RAKIEQCXJREJKF-UHFFFAOYSA-N	312.329	1.284	50	20	DDGD	
CSC1(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)CCC1	826648779	JXSHFDXZZWLQGJ-UWVGGRQHSA-N	301.412	1.028	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H](OC(C)C)C2)c1	828837732	JTCBCRIZHPRNKG-OAHLLOKOSA-N	319.405	1.255	50	20	DDGD	
Cc1nc(CC(C)C)c(C(=O)Nc2cccc(B(O)O)c2)s1	584913282	SHBGBOQEFVIGSS-UHFFFAOYSA-N	318.207	1.582	50	20	DDGD	
CN1CCC[C@@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)C1=O	490881776	YYPPYHYBVWHDCO-FWLQQBITSA-N	301.321	1.470	50	20	DDGD	
CC[C@H](C)[C@@H](NNC(=O)c1c[nH]c2ccccc12)C(=O)OC	905747037	HPTACKZEQAMMQV-IINYFYTJSA-N	303.362	1.990	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H](O)c1ccccc1C(F)(F)F	900220535	AWJVOYDJPTTZLY-JTQLQIEISA-N	318.295	1.932	50	20	DDGD	
CC(C)OC(=O)[C@H](C)N(C)C(=O)[C@@]1(C)C[C@H]1Br	906991797	LWYFTTNPSDAXEX-SBMIAAHKSA-N	306.200	1.958	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCCCCC(=O)O)c1ccccc1	736223265	FSQZEFRIGGXXQM-UHFFFAOYSA-N	321.377	1.550	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cccc(N2CCCC2)c1	495366784	IIQHDEMKXIPVSW-UHFFFAOYSA-N	320.349	1.003	50	20	DDGD	
Cc1csc([C@@H](NCc2ccc(B(O)O)cc2)C2CC2)n1	585027209	PCDZOOJIBUMFHW-AWEZNQCLSA-N	302.208	1.372	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C2(C#N)CCC2)c1	735990906	JMSVOIOVBLLTPV-UHFFFAOYSA-N	303.318	1.159	50	20	DDGD	
COc1cc(NNC(=O)[C@@H]2CCCC(=O)N2C)ccc1Cl	907840456	ICAITMFWKWPPEK-NSHDSACASA-N	311.769	1.803	50	20	DDGD	
COc1ccccc1C(=O)NNC(=S)NC(C1CC1)C1CC1	734759700	DUWIIFCBXNBEBI-UHFFFAOYSA-N	319.430	1.993	50	20	DDGD	
O=C(NN=CCCc1ccc2c(c1)OCCO2)c1ncon1	901290212	SLHITBVKTCTUNE-UHFFFAOYSA-N	302.290	1.189	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCCc3sccc32)c(F)c1	585036054	CTIMIZWUVFGNAW-AWEZNQCLSA-N	305.183	1.734	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc2c(c1)C[C@@H](C)O2	901194805	OWZHBTGPYKZJGG-VXGBXAGGSA-N	306.362	1.512	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C[C@@H]1CCOC1	739679770	AULXXNPRATXZLH-QWRGUYRKSA-N	310.325	1.167	50	20	DDGD	
C[C@@H]1N(CC(=O)NNC(=O)c2ccc(F)cc2)CCOC1(C)C	839507125	FJRMJSQYVYBUOJ-NSHDSACASA-N	323.368	1.086	50	20	DDGD	
C=CC(=O)N(CC)CC(=O)NNc1ccc(C(=O)OC)cc1F	909545322	CXAAULMCUVHXJT-UHFFFAOYSA-N	323.324	1.090	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@H]2CCOC3(CCC3)C2)o1	836580704	OBHGXOFUKJRZSZ-GFCCVEGCSA-N	321.377	1.881	50	20	DDGD	
CN1CC[C@H](NCc2ccc(B(O)O)cc2F)c2ccccc21	585035346	RNJAXDGFRONDNQ-INIZCTEOSA-N	314.169	1.176	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C1CCCC1)C(=O)N1CCCC[C@@H]1C	737048595	YDOWSAQFMHPPSU-RYUDHWBXSA-N	324.425	1.297	50	20	DDGD	
Cc1ccc(CC=NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1	834943672	DQVZDVKHCFOOOQ-ZDUSSCGKSA-N	309.391	1.010	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=Cc1cccc(Br)c1	585657447	VXGONGKVXSAUSU-UHFFFAOYSA-O	319.182	1.887	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)NNc1cc(C#N)cc(Cl)n1	907191070	PEUFSVLFCCHFTQ-SECBINFHSA-N	307.741	1.061	50	20	DDGD	
C[C@@H](NC(=O)c1cccc(B(O)O)c1)c1ccc(C2CC2)cc1	584999114	DCYYSDVTNMITDV-GFCCVEGCSA-N	309.174	1.735	50	20	DDGD	
CC(C)(C)[C@H](Cc1ccccc1)NCc1ccc(B(O)O)o1	585024067	STPWNOZQJXBITA-HNNXBMFYSA-N	301.195	1.706	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNc1ncnc2ccsc12	839704873	FPDCLRGOTWKJFB-MRVPVSSYSA-N	308.363	1.724	50	20	DDGD	
COc1cccc2c1OC[C@@H](NC(=O)NNC(=O)C1CCC1)C2	732462359	TZZRWKGCITZLBC-LBPRGKRZSA-N	319.361	1.129	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCCO1)c1ccc2c(c1)CCC(=O)N2	834990048	XXQWYVDQPWPFKE-HNNXBMFYSA-N	315.373	1.981	50	20	DDGD	
CCCn1cc(C(=O)NNc2ccc(C(=O)OC)cc2F)nn1	837206698	FJINPGKHANKGRP-UHFFFAOYSA-N	321.312	1.371	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H]1CSCN1C(=O)C(C)(C)C	730075148	HPJONVJICFWBQS-SECBINFHSA-N	315.439	1.128	50	20	DDGD	
O=C(C[C@H](n1cccn1)C(F)(F)F)NNc1cnccn1	832395464	KQAABPLAPNUHPR-QMMMGPOBSA-N	300.244	1.310	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1nc2c(s1)CCC2	836223745	ZYZOPCYQPNFSCT-SECBINFHSA-N	310.379	1.354	50	20	DDGD	
CCNC(=O)NN=C(C)CCCOc1ccccc1C(N)=O	731925749	URGPTRNIYDVVIW-UHFFFAOYSA-N	306.366	1.640	50	20	DDGD	
CSSCCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1	831982340	YLNACAUEOSMASW-SNVBAGLBSA-N	302.377	1.756	50	20	DDGD	
CC(C)NC(=O)NN=C[C@H](C)c1ccc(S(C)(=O)=O)cc1	834951242	RUXNDNZMUQFRMQ-NSHDSACASA-N	311.407	1.887	50	20	DDGD	
O=C(NN=C1CCC(O)(C(F)(F)F)CC1)[C@@H]1CCCCO1	834988200	FOPOSHLJTQRDFJ-NUHJPDEHSA-N	308.300	1.895	50	20	DDGD	
C[C@@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)NNC(=O)C2CCCC2)C1	919924475	KJROGPDHINFDLQ-MGPQQGTHSA-N	324.469	1.873	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)c(F)c1	833243409	SFMGNZZNDGGWQI-ZDUSSCGKSA-N	308.309	1.358	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NNc1cnc2ccccc2n1	832218170	HMLOAPJEZSREEL-GHMZBOCLSA-N	308.345	1.610	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)C2CCN(c3ncccn3)CC2)[C@@H](C)O1	834955960	KJCSIJALLKQRQS-VXGBXAGGSA-N	317.393	1.363	50	20	DDGD	
CNCCNC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	841935931	IMFFPXXBDLOPFY-VIFPVBQESA-N	310.423	1.036	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)[C@H](C)C1(C)C	843972638	VMRHPZZVMMOUDX-BJDJZHNGSA-N	310.394	1.200	50	20	DDGD	
Cc1cc(C)n(CCC(=O)NNc2cccc([N+](=O)[O-])c2)n1	748000687	TXFMNBGRWRZROT-UHFFFAOYSA-N	303.322	1.942	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2ccnc(-n3cncn3)c2)c1	748045203	BLSKDHXSAUPCJX-UHFFFAOYSA-N	305.301	1.291	50	20	DDGD	
COc1cc(C#N)ccc1OCCCC(=O)NN(C)C[C@@H](C)O	910170501	KSRMOSIYDMJSEZ-GFCCVEGCSA-N	321.377	1.070	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(N(C)C)nc2ccccc12	910152331	OMLQOVXFNRMHRH-LLVKDONJSA-N	302.378	1.258	50	20	DDGD	
CCCOC(=O)c1ccc(NC(=O)NNC(=O)CCCN)cc1	841046039	VBKSCJVCXDUDRU-UHFFFAOYSA-N	322.365	1.145	50	20	DDGD	
CSc1nc(C2CC2)cc(C(=O)NN(C)C[C@H](C)O)c1C#N	910180182	SWSQJECLUDFLIX-VIFPVBQESA-N	320.418	1.510	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)[C@@H](O)c1ccccc1	746098753	ZKCKIWPULQIDQS-HNNXBMFYSA-N	318.304	1.086	50	20	DDGD	
Cc1csc(CCCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n1	843970664	JDRPHYDIAICTRV-GHMZBOCLSA-N	311.407	1.347	50	20	DDGD	
COc1ccc([C@H](C)CC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	843654347	RCQYHNZPNRDVKG-TYNCELHUSA-N	320.389	1.761	50	20	DDGD	
CO[C@H](CC(=O)NNC(=O)c1ccccc1F)C(F)(F)F	844277584	CVAUAUAZJYEMSD-SECBINFHSA-N	308.231	1.554	50	20	DDGD	
CCc1cccc2c1NC(=O)C2=NNC(=O)Cc1ccncc1	747646818	ZCDJOWXFQYDSBC-UHFFFAOYSA-N	308.341	1.659	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cnc(C(C)(C)C)s1	748259338	HTWHMSSTGMZMAI-JTQLQIEISA-N	313.423	1.942	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](C)c2c(C)nn(C)c2C)n1	746626927	CEEPDMYPMDHRIP-SECBINFHSA-N	318.381	1.391	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2ccc(Cl)nc2)c1	743815465	DUXRKZBEDOTGTI-UHFFFAOYSA-N	304.737	1.852	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H]1CCCN1C(=O)C1CC1	843869302	NCEIMKVCJLSEKV-LBPRGKRZSA-N	317.393	1.444	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cc2occc2s1	740851434	FDIYSODSBXADLB-UHFFFAOYSA-N	323.374	1.560	50	20	DDGD	
CC[C@@H]1CCCN(CC(=O)NNC(=O)c2cccc(C)c2)C1	744387134	LGFFYCIOHGMZPE-CQSZACIVSA-N	303.406	1.878	50	20	DDGD	
O=C(NNC(=O)c1cccnc1O)c1ccc(Cl)cc1O	918358220	LGDBKQDULKFBOK-UHFFFAOYSA-N	307.693	1.221	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1ccc2c(c1)OCCO2	914854225	FOOYECVLWHTPEN-UHFFFAOYSA-N	305.334	1.801	50	20	DDGD	
CCCC[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)c1ncccn1	841577495	DKYQNRIVKDBYPP-NEPJUHHUSA-N	305.382	1.780	50	20	DDGD	
COc1ccc2c(c1)CCCC2=NNC(=O)C(=O)N1CCCC1	748137449	HDZMLXWBETUQTR-UHFFFAOYSA-N	315.373	1.474	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@H]2C[C@H]3CC[C@H]2C3)n1	746759769	BIHRPJHRPHPIAH-SDDRHHMPSA-N	305.382	1.856	50	20	DDGD	
C[C@H](C=NNC(=O)Cc1cc(O)nc(O)n1)c1ccccc1	743448100	YKQYXSFNPBJERM-SNVBAGLBSA-N	300.318	1.336	50	20	DDGD	
O=C(NC[C@@H]1CCC[C@@H]1C1CC1)NNC(=O)[C@H]1CCCCO1	840393138	UIHDBOMUWUAKGO-BFHYXJOUSA-N	309.410	1.712	50	20	DDGD	
O=C(CCOCc1ccccc1)NNC(=O)NC1CCCC1	744053219	IAZNUDHMMMYFER-UHFFFAOYSA-N	305.378	1.866	50	20	DDGD	
Nc1c(C(=O)NNc2ccccc2[N+](=O)[O-])cccc1[N+](=O)[O-]	749324145	SFJGSNYGLPSNNP-UHFFFAOYSA-N	317.261	1.842	50	20	DDGD	
O=C(NNC(=S)Nc1ccc2c(c1)CCC2)N1CCOCC1	745730625	VXNJCNOSQIFRSI-UHFFFAOYSA-N	320.418	1.419	50	20	DDGD	
Cn1cc(C=NNC(=O)c2cc3c(s2)CCCCC3)nn1	755590322	JSPKRQYJVFIPSX-UHFFFAOYSA-N	303.391	1.909	50	20	DDGD	
CC(C)n1ncc2cc(NC(=O)NNC(=O)CC3CC3)cnc21	755847226	SMUVDCPLNSMHEJ-UHFFFAOYSA-N	316.365	1.965	50	20	DDGD	
N#CC1=CCN(C(=O)COCCNC(=O)c2ccccc2)CC1	753432698	GOSLDTNMPWCPIP-UHFFFAOYSA-N	313.357	1.115	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)C1CCS(=O)(=O)CC1	928340556	UWXLIRCDCTXJOW-UHFFFAOYSA-N	316.810	1.916	50	20	DDGD	
C[C@]1(CNC(=O)c2nc3ncccn3n2)C[C@H]1Br	857686748	DHVCUZLYUDQTEX-RDDDGLTNSA-N	310.155	1.028	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCc2cccc(C)n2)c1	858408061	JLADMAGBGPYWGV-UHFFFAOYSA-N	318.402	1.947	50	20	DDGD	
COc1ccc(CCCC(=O)NNC(=O)C(C)C)c(OC)c1	753891115	KAWGXXAYBXHEEN-UHFFFAOYSA-N	308.378	1.830	50	20	DDGD	
C[C@@H](Sc1nncn1C)C(=O)NNc1ccnc(Cl)c1	855468555	AVDAGAXKCYAPRY-SSDOTTSWSA-N	312.786	1.487	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCCCC(=O)NC1CC1	853403880	BHLWAORFEWDERV-UHFFFAOYSA-N	308.357	1.819	50	20	DDGD	
COc1ccc2c(c1)C[C@H](C(=O)NCCCSC#N)CO2	854362863	FJAWKUAEWLBZJA-LBPRGKRZSA-N	306.387	1.967	50	20	DDGD	
CN(C(=O)NC[C@]1(C)C[C@@H]1Br)C1CCNCC1	857105677	PMXVQPJSUZDAMK-JQWIXIFHSA-N	304.232	1.553	50	20	DDGD	
Cn1c2c(ccc1=O)C(=NNC(=O)c1cccc(F)n1)CCC2	853445390	ZTQWHAKNKJZYNO-UHFFFAOYSA-N	314.320	1.390	50	20	DDGD	
Cc1cc(N(C)C)ccc1NC(=O)NNC(=O)c1c[nH]nc1C	755809348	KUAGHEVDOUMDGY-UHFFFAOYSA-N	316.365	1.559	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)c1cccc(F)n1)C1CCCC1	852660409	ZJJYNLVIGBWXKK-LBPRGKRZSA-N	324.356	1.370	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NNc2cccc(F)n2)C1	854443197	QIMOZTIEPYFAQZ-MGCOHNPYSA-N	324.356	1.967	50	20	DDGD	
C[C@H](Sc1ccccn1)C(=O)NNC(=S)NCC1CCC1	855090914	VEJANHYVTZXIDU-JTQLQIEISA-N	324.475	1.858	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@@H](CC)Oc1cccc(C)c1	753035583	RQNGVRKGLLNNGW-CYBMUJFWSA-N	323.393	1.519	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H]1CC12CCSCC2)C1CC1	855096822	ZEDHZKQFJNXCCT-GXSJLCMTSA-N	313.492	1.814	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1csc(C2CC2)n1	920371485	SEZZLZABVQOXQL-NSHDSACASA-N	322.434	1.439	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1nc(C)c(C)[nH]1	853264819	SROOIJHOSAZCNK-UHFFFAOYSA-N	302.334	1.564	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cn(C)nc1C(F)F	754825203	VBJPRSLOTRUWPB-UHFFFAOYSA-N	308.288	1.741	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c1	858288765	OZLSPKSRYZPADY-WDEREUQCSA-N	322.434	1.626	50	20	DDGD	
COc1ccc(CCC(C)=NNC(=O)c2cc[nH]n2)cc1O	853392157	JLFVKRXHTAJDJN-UHFFFAOYSA-N	302.334	1.862	50	20	DDGD	
Cc1cc(C)n([C@H](C)CC(=O)NNC(=O)c2ccc(C)o2)n1	752781708	XITPXFSYJBNSTR-LLVKDONJSA-N	304.350	1.814	50	20	DDGD	
CO[C@@H]1CCN(C(=O)NNC(=O)c2cc(C)cs2)C[C@H]1C	858706889	CTUSSIIEYLXAGI-GHMZBOCLSA-N	311.407	1.768	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2ccc(N3CCCC3)nc2)n[nH]1	758374044	MVPISDYMEDJRNC-UHFFFAOYSA-N	312.377	1.406	50	20	DDGD	
O=S(=O)(CBr)N1CCOc2cc(F)ccc2C1	859429314	JOIZPZHGBKPCCI-UHFFFAOYSA-N	324.171	1.702	50	20	DDGD	
CN1CCC(NC(=S)NC[C@@]2(C)C[C@H]2Br)CC1	857204429	RPJNSCYRNSLVLQ-ZYHUDNBSSA-N	320.300	1.718	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)C1CCOCC1	755879049	ICGOZMDXXTWKBZ-HNNXBMFYSA-N	304.346	1.745	50	20	DDGD	
Cc1nc(N)nc(C)c1C(=O)NC[C@]1(C)C[C@H]1Br	857734417	STGVCYXCGWICKI-PELKAZGASA-N	313.199	1.579	50	20	DDGD	
COC[C@H](NC(=O)NNc1cc(F)ccc1C)[C@@H]1CCCO1	854028806	WKBUNTSPERLBHI-KBPBESRZSA-N	311.357	1.954	50	20	DDGD	
CC(C)N1CCN(C(=O)NC[C@]2(C)C[C@H]2Br)CC1	856951120	POGXICDMDPTNLI-YPMHNXCESA-N	318.259	1.896	50	20	DDGD	
COc1ccnc(NNC(=O)NCCC2CCC(OC)CC2)n1	758719275	VKVDAHZCIPLSEW-UHFFFAOYSA-N	323.397	1.707	50	20	DDGD	
Cn1cc(C(=O)NNc2ncccc2[N+](=O)[O-])c(C(F)F)n1	755283120	ZHFNJFYGTGQBEQ-UHFFFAOYSA-N	312.236	1.418	50	20	DDGD	
CC(=NNC(=O)c1cn[nH]c1)c1ccc2c(c1)OCCCO2	863155966	GGCFYPSCHQQYQW-UHFFFAOYSA-N	300.318	1.725	50	20	DDGD	
Cc1cc(CCC(=O)NNC(=O)Cc2ccccc2C)no1	934830720	WCVXJMDIXSCCLT-UHFFFAOYSA-N	301.346	1.614	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1cccc(OC(F)F)c1	863145566	LCPDFLRZKLSVMJ-NSHDSACASA-N	311.288	1.407	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	766639440	CDALSUXSNSELKN-RKDXNWHRSA-N	315.295	1.948	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCNC1=O)Nc1ccc(Cl)cc1	868118980	GAETVGKESFYNGL-SNVBAGLBSA-N	310.741	1.019	50	20	DDGD	
CC(C)[C@H]1C[C@H](C(=O)NNC(=O)c2cccc(C#N)c2)CCO1	931934875	HBXRBUWIHZPTLV-HUUCEWRRSA-N	315.373	1.770	50	20	DDGD	
CN(NC(=O)c1cnn(C)c1Br)c1ccccc1	760157257	AJQHBGZWWIAUQL-UHFFFAOYSA-N	309.167	1.964	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cc(Cl)cc(Cl)c1O	935562343	GZHOADKWUBRZEM-UHFFFAOYSA-N	307.133	1.231	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNc1nc2ccccc2[nH]c1=S	862292535	HPWPUDIWAHCLQP-SNVBAGLBSA-N	324.431	1.849	50	20	DDGD	
CCOC(=O)N1CSC[C@@H]1C(=O)NCCCSC#N	935843217	LYYZHUDEVRZFRP-SECBINFHSA-N	303.409	1.238	50	20	DDGD	
Cc1ccc(C#N)cc1C(=O)NNC(=O)NCC(F)(F)F	935802503	KVVJSWOSMJEGLW-UHFFFAOYSA-N	300.240	1.373	50	20	DDGD	
C/C(C=NNC(=O)[C@@H]1CCC(=O)N1)=C/c1cccc([N+](=O)[O-])c1	863153107	MUQHKCFHXUPJNV-BTWFEWMQSA-N	316.317	1.379	50	20	DDGD	
COCCn1cc(CNS(=O)(=O)CC(C)(C)CCl)cn1	867231250	UUJRQRBXEZFHMB-UHFFFAOYSA-N	323.846	1.214	50	20	DDGD	
O=C(Nc1cccc(N2CCCCC2)c1)c1cccc(B(O)O)c1	864986123	CLKWNTRLZUMOSU-UHFFFAOYSA-N	324.189	1.609	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H]2CCc3cnn(C)c3C2)c1	862479436	NZYJEUMNPPKLON-JTQLQIEISA-N	318.402	1.356	50	20	DDGD	
CCc1cc(C(=O)NNc2cc(Cl)nc(C)n2)c(C)nn1	760314072	GODCLLVBSHNAQM-UHFFFAOYSA-N	306.757	1.856	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)Cc2cc(C)[nH]n2)c1	869012676	AFYFUAPXTAPXRU-LBPRGKRZSA-N	316.361	1.184	50	20	DDGD	
COC(=O)c1coc(C=NNC(=O)c2ccc(OC)cc2)c1	1116590195	JLZHCVDKKSLDIZ-UHFFFAOYSA-N	302.286	1.839	50	20	DDGD	
Cc1cc(N)ccc1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	772086845	DLGPYBRMDZJQCP-NSHDSACASA-N	321.377	1.316	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccc3ccccc3c2)nn1C	772236330	LXOUCQVAQMQUQA-UHFFFAOYSA-N	324.340	1.657	50	20	DDGD	
C=CCSc1ccccc1C(=O)NNC(=O)c1cnn(C)c1	776841962	QNHPRDJCUODZMI-UHFFFAOYSA-N	316.386	1.773	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)C[C@](C)(O)C1CC1	873768652	FHSRVBBQGPFBAP-HNNXBMFYSA-N	323.418	1.564	50	20	DDGD	
CC[C@@H](CNC(=O)NN(C)C(=O)OC)Oc1ccccc1F	875345009	NYZFFUMQXSFEQL-JTQLQIEISA-N	313.329	1.896	50	20	DDGD	
COC[C@@H](NC(=O)NN=c1cc[nH]c(C)c1)c1ccc(C)o1	875334778	OHTHNPPPTDOQLF-CYBMUJFWSA-N	304.350	1.727	50	20	DDGD	
Cn1c(C(=O)NNC(=O)C(C)(C)c2ccccc2)cnc1Cl	874448049	MOPBHSLVKHXBCU-UHFFFAOYSA-N	320.780	1.812	50	20	DDGD	
C[C@@H](C(=O)NNc1ccccn1)S(=O)(=O)c1ccc(F)cc1	777472706	YYNKIOLZRBPBNM-JTQLQIEISA-N	323.349	1.526	50	20	DDGD	
CC(C)CN1C[C@@H](C(=O)NNc2cc(Cl)ccn2)CC1=O	778449018	WQVLERFGMNMBTO-JTQLQIEISA-N	310.785	1.683	50	20	DDGD	
CCS(=O)(=O)c1c(Cl)cccc1C=NNC(=O)N(C)C	774379911	XRYUZDRSGYKPHJ-UHFFFAOYSA-N	317.798	1.739	50	20	DDGD	
Cc1nc(SCC(=O)NNc2nccnc2C(C)C)n[nH]1	772844824	OMBAZZKQRFZGGW-UHFFFAOYSA-N	307.383	1.262	50	20	DDGD	
CC(C)(C)[C@H](NC(=O)NNC(=O)Cc1cc[nH]n1)C(F)(F)F	775983104	BBZYWPOYZAQREI-VIFPVBQESA-N	321.303	1.260	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCOCC23CCC3)c1	777711582	AAJKACDZIPWRET-UHFFFAOYSA-N	317.389	1.011	50	20	DDGD	
COC[C@@H](C)C(C)=NNC(=O)c1ccc(-n2cnnn2)cc1	777877660	QXCXZWQZKQYMRG-SNVBAGLBSA-N	302.338	1.051	50	20	DDGD	
CNC(=O)CC[C@@H]1CCCCN1S(=O)(=O)CCCCl	882194651	JSYIZFRAIGEWEF-NSHDSACASA-N	310.847	1.326	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H]1CCN(C2CCCCC2)C1	882399381	DDSYKLKYJQASJK-GFCCVEGCSA-N	308.875	1.942	50	20	DDGD	
CN(C)[C@@H](C(=O)NNc1cc(F)ccc1F)c1cncn1C	885143006	PYRKCQWCOBDHAV-CYBMUJFWSA-N	309.320	1.444	50	20	DDGD	
Cn1nc(C2CC2)cc1CNC(=O)NNC(=O)C1CCCC1	1121829305	HJFYUOOBECNCJC-UHFFFAOYSA-N	305.382	1.318	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)N[C@H]1CC[C@H](C)C1	780788504	GBESMQXIQJLJNB-RYUDHWBXSA-N	321.377	1.593	50	20	DDGD	
COC1(C(=O)NNC(=O)Cn2ccc3ccccc32)CCC1	781646470	PHIIJNJGOXACKF-UHFFFAOYSA-N	301.346	1.358	50	20	DDGD	
CN(CCC(=O)OC(C)(C)C)S(=O)(=O)CBr	782470628	FTILTJJNYQCKCU-UHFFFAOYSA-N	316.217	1.332	50	20	DDGD	
COc1ccc(CC(=O)NNc2ccnc(F)c2)cc1OC	781362507	XZFWRJNGSNVNKW-UHFFFAOYSA-N	305.309	1.924	50	20	DDGD	
O=C(NCC1CC1)NNS(=O)(=O)c1cccc(C(F)F)c1	780385029	ZJBNNMLQQPJVPT-UHFFFAOYSA-N	319.333	1.527	50	20	DDGD	
O=C(Cc1ccn(-c2ccc(F)cc2)n1)NN=c1cc[nH]cc1	780761116	JQJSNRFOJABCOW-UHFFFAOYSA-N	311.320	1.514	50	20	DDGD	
COc1ccc(SCCCC(=O)NNC(=O)N(C)C)cc1	780515671	IDZITACPKNBHGD-UHFFFAOYSA-N	311.407	1.870	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1	780708139	GFJUBXRFVBEZLM-UHFFFAOYSA-N	306.278	1.647	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@H]1CCCCN1C1CCCC1	788266040	MDJPKHACSBNQQU-OAHLLOKOSA-N	318.421	1.583	50	20	DDGD	
COc1cc(C)c(S(=O)(=O)N2CC=C(C#N)CC2)cc1OC	780929343	YAJOKUZJAMKOSE-UHFFFAOYSA-N	322.386	1.857	50	20	DDGD	
O=C(Cc1ccn(CC(F)(F)F)n1)NNc1ncncc1F	899139978	QXDUQLIYWDKMCP-UHFFFAOYSA-N	318.234	1.060	50	20	DDGD	
CCc1onc(C)c1NC(=O)C(=O)NNc1ncccc1C	792377763	CNEPDZABXKBAQR-UHFFFAOYSA-N	303.322	1.331	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCCCc2ccccc2)n[nH]1	897024966	VICZFVFVNLLLFP-UHFFFAOYSA-N	300.362	1.892	50	20	DDGD	
CSc1ccc(NC(=O)C(=O)NNc2ncccc2C)cn1	792379697	MFHKTDXKPIXZNU-UHFFFAOYSA-N	317.374	1.589	50	20	DDGD	
CNc1cc(C(=O)NNC(=O)c2cccc(C)n2)cc(Cl)n1	794089194	BUFMTAOYLNHKKZ-UHFFFAOYSA-N	319.752	1.555	50	20	DDGD	
C[C@H]1CC(=NNC(=O)C[N+](C)(C)C)CN1Cc1ccccc1	794456121	IDSIOFFRGUVFKT-AWEZNQCLSA-O	303.430	1.459	50	20	DDGD	
C[C@@H]1COC(=O)C1=NNC(=O)COc1ccc2ccccc2c1	794886004	CYWPKWZZMMXKLS-LLVKDONJSA-N	312.325	1.884	50	20	DDGD	
CC(=NNC(=O)c1cc(C)[nH]n1)c1cccc(N2CCC2=O)c1	794920216	HECQKQLWKPQJAE-UHFFFAOYSA-N	311.345	1.609	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2cc3cc(F)ccc3o2)CC1	790173533	JRGJABRHFWIKHR-UHFFFAOYSA-N	304.325	1.863	50	20	DDGD	
Cc1nc(C)c(C(=O)NNc2nc(-c3cccnc3)no2)o1	1319278737	OWBDADTYFLAOQF-UHFFFAOYSA-N	300.278	1.493	50	20	DDGD	
CCOCCC1(C(=O)NNC(=S)NC(C)C)CCCC1	1319169997	FUKQPSUMSDRALJ-UHFFFAOYSA-N	301.456	1.877	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNC(=O)c2ccccc2Cl)o1	1319349225	PLYKHIHBIWFPBE-UHFFFAOYSA-N	307.693	1.107	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccnc(OC2CCC2)c1	1326646016	CAFTXLWOSAVKRG-GWCFXTLKSA-N	319.361	1.199	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)c1cc2n(n1)CCO2	1324722539	AXPDIHZZBHLBRM-UHFFFAOYSA-N	306.709	1.004	50	20	DDGD	
O=C(CCO)NN=Cc1cc(Br)ccc1Cl	1322670132	ZCKDBPZZCNWBRH-UHFFFAOYSA-N	305.559	1.935	50	20	DDGD	
CCOC(=O)C[C@H]1CCCN1C(=O)NNC(=O)c1ccccc1	1320444417	SKGFRHMNEMPYER-CYBMUJFWSA-N	319.361	1.459	50	20	DDGD	
Cc1cnn(CC2CC2)c1NC(=O)NNc1ncc(F)cn1	1320711533	MHINVYOYQRYAID-UHFFFAOYSA-N	305.317	1.679	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2nccnc2C(C)C)n1	1326573952	GTRIMMCNWQXVND-UHFFFAOYSA-N	314.349	1.112	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1CC[C@H]2CCCC[C@@H]2C1	1329310209	JWGPKAAVVDMQOY-VXGBXAGGSA-N	305.158	1.158	50	20	DDGD	
O=C(c1ccc(Br)c(F)c1)N1CC[C@@H](B(O)O)C1	585069921	TZSQERHACVRCDX-MRVPVSSYSA-N	315.935	1.277	50	20	DDGD	
COc1cc(C(=O)NNc2nc(-c3cccnc3)no2)ccn1	1326131060	WTAOOGLQKRWFHV-UHFFFAOYSA-N	312.289	1.292	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@]2(F)CCOC2)c1C	1258436606	IUUINKCAJXUTAC-WBMJQRKESA-N	324.352	1.347	50	20	DDGD	
C[C@H]1CN(c2nnnn2C[C@]2(C)C[C@@H]2Br)CCO1	1335978092	TWINUYZVSZLNBF-QXEWZRGKSA-N	316.203	1.072	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)C1CCS(=O)(=O)CC1	1349643528	BPZXWVMTWMKHQZ-UHFFFAOYSA-N	316.354	1.102	50	20	DDGD	
CC[C@H]1C[C@@H](C(=O)NNC(=O)c2ccc(OC)cc2)CCO1	1341996159	ITJDMDLUGHEGGT-STQMWFEESA-N	306.362	1.661	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@@H]1C[C@H]1F	1345505604	CZUMMJIQWAKMLD-NXEZZACHSA-N	304.325	1.104	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@H](CCCO)c2ccccc2)cc[nH]1	1261964662	SHDTVQLXAYWGJZ-MRXNPFEDSA-N	314.389	1.952	50	20	DDGD	
COc1nccc(C(=O)OC[C@@]2(C)C[C@@H]2Br)n1	1345267415	WYLSKIISVDUHIW-GZMMTYOYSA-N	301.140	1.816	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CC([C@H](C)O)C2)cc1	1347452471	AGXROWNICIDNPQ-QENILXLESA-N	300.358	1.831	50	20	DDGD	
O=C(NCCO[C@@H]1CCOC1)NNc1cccc(Cl)n1	1354622046	JVFMAFGGIQDNCQ-SECBINFHSA-N	300.746	1.167	50	20	DDGD	
CCCNC(=O)[C@H](C)NC(=O)NC[C@]1(C)C[C@H]1Br	1521195530	SHBIYCAAUFXSEU-SBMIAAHKSA-N	320.231	1.374	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNC(=O)[C@@H]2CCCS2)c1	1607589835	NXNQFBHQWGJSLN-NSHDSACASA-N	308.359	1.350	50	20	DDGD	
O=C(O)CSCCC(=O)NNC(=O)CCCc1ccccc1	1602098546	FLKVLVLAASGPJM-UHFFFAOYSA-N	324.402	1.365	50	20	DDGD	
O=C(NCC[C@@H]1CCCCO1)NNc1cccc(C(=O)O)c1	1608441131	TXBZZRVXNNXWIO-ZDUSSCGKSA-N	307.350	1.970	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2cnn3c2CCCC3)cc1	1602128782	WREXZVVYBCDJEF-UHFFFAOYSA-N	314.345	1.603	50	20	DDGD	
Cn1nc(C(=O)O)cc1C(=O)NNc1cc(Cl)ccc1F	1605539531	XIEZGAHKBQIMHL-UHFFFAOYSA-N	312.688	1.668	50	20	DDGD	
CCC[C@@H](CNC(=O)NNc1ccc(F)c(C(=O)O)c1)OC	1605214238	JXEXWIZKAXDKKS-JTQLQIEISA-N	313.329	1.965	50	20	DDGD	
Cc1cc(C)n(CCCC(=O)NNc2ccc(C(=O)O)cn2)n1	1600179823	SKCMAEMTZGZMKJ-UHFFFAOYSA-N	317.349	1.517	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2ccc(C(=O)O)cn2)c1	1600648061	NRGPEJURZYDFHD-UHFFFAOYSA-N	305.315	1.225	50	20	DDGD	
O=C(NCC1=CCNCC1)NNc1ccc(C(=O)O)c(F)c1	1601477672	KZXGXWWNJOJOTN-UHFFFAOYSA-N	308.313	1.070	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2CCCN2C2CCCC2)nc1	1608903960	BMRKCJCAXAABNX-CYBMUJFWSA-N	318.377	1.630	50	20	DDGD	
CN(NC(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)OC(C)(C)C	1604826981	QRRFTUIQADNKQE-UHFFFAOYSA-N	318.337	1.378	50	20	DDGD	
O=C(Cc1ccc(C(=O)O)nc1)NNc1ccccc1[N+](=O)[O-]	1601358952	XWVNBSFXDPALOP-UHFFFAOYSA-N	316.273	1.374	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)[C@H]1CCC=CCCC1	1606858209	LRQMOHKTZQLCLH-NSHDSACASA-N	313.365	1.841	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)c2ccccc21	1549320285	LPIKGWFPJFNFOJ-IGCXYCKISA-N	313.401	1.877	50	20	DDGD	
CCN1CCC(NC(=O)NNc2ccc(C(=O)O)c(F)c2)CC1	1610010260	VEAVWXOPRJHFQH-UHFFFAOYSA-N	324.356	1.634	50	20	DDGD	
CCn1cc(CC(=O)NNc2ccc(C(=O)O)cc2OC)cn1	1610082202	BETRNBIJITYHEH-UHFFFAOYSA-N	318.333	1.296	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@@H]1C=NNC(=O)C1CCOCC1	1552917679	CHDBBAKKLHNJHS-HIFRSBDPSA-N	320.393	1.416	50	20	DDGD	
CCN([C@H]1CCNC1)S(=O)(=O)c1ccc(CCCl)cc1	1577663192	KYPRMEYLYAXVFM-ZDUSSCGKSA-N	316.854	1.840	50	20	DDGD	
CCCO[C@H](C(=O)NNC(=O)CCN)c1ccc(F)cc1C	1577577427	QGNJJJLRNOXWAS-AWEZNQCLSA-N	311.357	1.098	50	20	DDGD	
CCOC(=O)[C@@H]1CNCCN1C(=O)c1cccc(CCl)c1	1577936113	OGLKQXPCKGRURV-ZDUSSCGKSA-N	310.781	1.403	50	20	DDGD	
COc1ccc(Br)c(NNC(=O)[C@H](C)[C@H](C)N)c1	1579186051	UVMJWNUJDOXHJG-SFYZADRCSA-N	316.199	1.884	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H](N)CC(C)C)c1C	1579770988	AYPOVDGNIUZZFP-KGLIPLIRSA-N	321.421	1.592	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H]1[C@@H](CN)C1(F)F	1579181353	YYHBSOYXVOTEIO-GMSGAONNSA-N	302.233	1.349	50	20	DDGD	
Cc1ccc(-c2cncc(C(=O)NNC(=O)[C@@H]3CCN3)c2)cc1	1579648940	QEJWFGFSMUUIEN-HNNXBMFYSA-N	310.357	1.180	50	20	DDGD	
CC[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)CCl	1847437183	RUJXDTIAUJFWRA-SRVKXCTJSA-N	316.829	1.224	50	20	DDGD	
Cc1cc(C)nc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1	1591956991	URDGYCOAXBJCFF-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
CC[C@H](C)[C@@H](O)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843362198	HERGPMRJRQIZMD-AXFHLTTASA-N	320.792	1.131	50	20	DDGD	
CCn1cc(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)cn1	1590955121	ODXJHQZAWSERPE-UHFFFAOYSA-N	313.325	1.232	50	20	DDGD	
CC(C)[C@@H](F)C(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1590996600	PCVXCQCHOIMXAA-SNVBAGLBSA-N	303.359	1.574	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2cccc(C(=O)O)c2)n1	1599394249	HRPIUZAJOLGFSA-UHFFFAOYSA-N	316.317	1.178	50	20	DDGD	
O=C(/C=C\c1ccccc1)NNc1ccc(-c2nn[nH]n2)cn1	1592793490	DGISVEXJWSJRLF-TWGQIWQCSA-N	307.317	1.418	50	20	DDGD	
O=C(COc1ccc(O)cc1)NNc1ncccc1C(=O)O	1594702433	CSKMUIFDCCSLON-UHFFFAOYSA-N	303.274	1.008	50	20	DDGD	
CCC(CC)=NNC(=O)COc1ccccc1-c1nn[nH]n1	1590427608	DDMZRUMGJNZFEL-UHFFFAOYSA-N	302.338	1.538	50	20	DDGD	
CCOC[C@@H](C(=O)O)N(C)S(=O)(=O)CC(C)(C)CCl	1596883800	CYYRPEQVAAKCMY-VIFPVBQESA-N	315.819	1.003	50	20	DDGD	
COc1cc(C=NNC(N)=O)cc(Cl)c1O[C@@H](C)C(=O)O	1776032902	DJDOVRUAXLESRE-LURJTMIESA-N	315.713	1.203	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1CC1)[C@@H](F)Cl	1793469393	QMJZUZIKXBYJEZ-GFQSEFKGSA-N	312.772	1.572	50	20	DDGD	
COc1ccc(C=NNC(=O)c2sc(N)nc2C)cc1O	12338720	QGUSTZOYNYVEGG-UHFFFAOYSA-N	306.347	1.512	50	20	DDGD	
O=C(NNC(=O)c1cncn1-c1ccccc1)c1ccccc1O	17574954	VJYZHNLEHXNWPC-UHFFFAOYSA-N	322.324	1.653	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)CNC(=O)NCc2ccco2)c1	158813962	MFDUGGURHUQBGY-UHFFFAOYSA-N	316.361	1.839	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CN(C)C)cc1-c1ncco1	163358203	KNMLAODVGMULHX-UHFFFAOYSA-N	317.349	1.364	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(-c2cccc(OC)c2)n[nH]1	165374985	SHDCMPCOXYYXGP-UHFFFAOYSA-N	303.322	1.049	50	20	DDGD	
COc1ccc(NNC(=O)c2c[nH]c3ccccc3c2=O)nc1	159595519	YAAVDKSWVLVBSH-UHFFFAOYSA-N	310.313	1.689	50	20	DDGD	
Cc1csc(CC(=O)N/N=C2/C(=O)Nc3ccccc32)n1	7905861	PFYISBHWXUHPFM-UHFFFAOYSA-N	300.343	1.467	50	20	DDGD	
CNC(=O)NNS(=O)(=O)c1ccc(C2CCCCC2)cc1	57124764	YIPVMYRYDCRTMJ-UHFFFAOYSA-N	311.407	1.857	50	20	DDGD	
O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)c1ccncc1	10158853	WVWKMJVUCVCHFJ-UHFFFAOYSA-N	323.312	1.048	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)C1=NO[C@H](c2ccccc2)C1	54354798	XCZZXZDIYYFCCI-HNNXBMFYSA-N	309.325	1.965	50	20	DDGD	
CCc1ccc(CCC(=O)NNC(=O)Cc2cccnc2)cc1	103424826	PCSHBNQNMUKJCQ-UHFFFAOYSA-N	311.385	1.967	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CC[C@@H]2CC[C@H](C)O2)c1	174919668	PYOGRAJXNFAHNF-KBPBESRZSA-N	320.389	1.869	50	20	DDGD	
COc1ccccc1CCC(=O)NNC(=O)c1cccn1C	61527876	ZOMUBZQXCUUENV-UHFFFAOYSA-N	301.346	1.428	50	20	DDGD	
CCc1ccc(CCC(=O)NNC(=O)c2c[nH]nc2C)cc1	109858883	LOLMOBZKIXJLHY-UHFFFAOYSA-N	300.362	1.674	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N[C@@H](C)CCOC)c1ccccc1	111485142	BVBOCNOUEZYDTN-GXTWGEPZSA-N	307.394	1.936	50	20	DDGD	
O=C(NC[C@@H]1CCCO1)NNC(=O)c1cccc2ccccc12	65148008	VWFHYYLVZMPTGI-ZDUSSCGKSA-N	313.357	1.963	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCc1cccc2c1OCO2	52561192	SRDIEILQWTUFNJ-UHFFFAOYSA-N	309.322	1.654	50	20	DDGD	
CN(C)N(C(=O)/C=C/C1CCCCC1)[C@H]1CCS(=O)(=O)C1	117580905	ZSZIKKQBQKBQLF-VFNNOXKTSA-N	314.451	1.615	50	20	DDGD	
O=C(NNS(=O)(=O)C1=Cc2ccccc2CC1)c1ccc[nH]1	108464785	AGDWKKLPZJGAFD-UHFFFAOYSA-N	317.370	1.566	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@H]2C[C@@H]2C2CC2)cc1	175527411	DSOWSTOBQQKPSJ-KGLIPLIRSA-N	302.378	1.951	50	20	DDGD	
CCC(CC)[C@H](C(=O)NNc1cccnn1)N1CCOCC1	173828953	HZGJMCUYEXUXLJ-CQSZACIVSA-N	307.398	1.057	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)C(C)(C)C)cnc1Cl	117228363	ZFPVBCBGWIVESK-UHFFFAOYSA-N	305.787	1.399	50	20	DDGD	
C[C@H]1CN(CCI)CC[S@@](=O)C1	306702708	AJKKPTZVLWQGGD-QPUJVOFHSA-N	301.193	1.122	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)CNc1ccc(C)cc1	185149542	MLZWTNZSQXZRSQ-UHFFFAOYSA-N	307.394	1.617	50	20	DDGD	
Cc1csc(NC(=O)C(=O)NNc2cccc([N+](=O)[O-])c2)n1	181494768	XKNLHOJATIJCRU-UHFFFAOYSA-N	321.318	1.442	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)NC(C2CC2)C2CC2)c1	181629379	WWBGPKJTFMLGCN-UHFFFAOYSA-N	323.418	1.905	50	20	DDGD	
O=C(CCn1ccnn1)NNc1ccc(C(F)(F)F)cn1	186925232	KGTCHOWUTQVFKG-UHFFFAOYSA-N	300.244	1.225	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cc(Cl)ccc2F)nn1	123694289	YWWHWHLPGKKHTQ-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
CCC[C@H](C)C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12	78230299	WOAOIUQQHLKNRW-VIFPVBQESA-N	302.334	1.120	50	20	DDGD	
Cc1cnccc1NC(=O)NNc1cccc(S(C)(=O)=O)c1	180609837	ILFOHEPFXFUGLD-UHFFFAOYSA-N	320.374	1.942	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccc3c(c2)NC(=O)C3)o1	184398514	HQWVXCUGNGWXIB-UHFFFAOYSA-N	313.313	1.086	50	20	DDGD	
CC(C)C[C@H](C)OCCC(=O)NNC(=O)NCc1ccco1	127711543	CAOCLSFXTJZURY-LBPRGKRZSA-N	311.382	1.951	50	20	DDGD	
O=S(=O)(CBr)N1CCC(C(F)(F)F)CC1	127511812	CNPRDAGOKXWJOZ-UHFFFAOYSA-N	310.135	1.943	50	20	DDGD	
O=C(CCC(F)(F)F)NNc1nc(-c2ccncc2)no1	79907029	GOIZSEVPILNQET-UHFFFAOYSA-N	301.228	1.917	50	20	DDGD	
CC[C@H](CC(=O)NNC(=O)Cc1cc[nH]n1)c1ccc(C)cc1	186120354	JGHCBQRGJLZUOG-CYBMUJFWSA-N	314.389	1.992	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1cnn(-c2ccccc2)c1	73569718	MVJDOJIDSPAAIJ-UHFFFAOYSA-N	315.402	1.096	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2coc(C)c2)nc1C	189026059	MXPIMDSDFNHQJZ-UHFFFAOYSA-N	304.306	1.620	50	20	DDGD	
Cc1nsc(N2CCN(C[C@@H](C)CBr)CC2)n1	134000134	MJFRLECCVWOSFL-VIFPVBQESA-N	319.272	2.000	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cnn([C@@H](C)C2CC2)c1	189828624	HDHMELWJIAAXTD-VIFPVBQESA-N	317.353	1.801	50	20	DDGD	
O=C(NNC(=O)c1cccnc1OCC(F)F)c1cccnc1	89599584	JSERLSKLYHTWGV-UHFFFAOYSA-N	322.271	1.195	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NCCn1cccc1	84456812	OEISRXSYWOHRBY-UHFFFAOYSA-N	316.361	1.035	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1noc2c1CCCC2	138876485	KBQSMXRWTNTKSX-UHFFFAOYSA-N	304.306	1.291	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ccc(F)cc2F)nn1C	131310857	IQSMKWJGZJAOAV-UHFFFAOYSA-N	309.276	1.089	50	20	DDGD	
ICCN1CCS[C@@H]2COCC[C@H]21	190945604	VKNRSAMMDNUGRN-RKDXNWHRSA-N	313.204	1.628	50	20	DDGD	
O=C(NCc1ccccc1-n1cccn1)NNC(=O)c1ccc[nH]1	194525966	YPSVBBWLHUDAST-UHFFFAOYSA-N	324.344	1.345	50	20	DDGD	
O=C(NCC1CC1)C(=O)NNc1ccccc1C(F)(F)F	191699876	OBFGVBYIPYDCTQ-UHFFFAOYSA-N	301.268	1.675	50	20	DDGD	
O=C(COc1ccc(Cl)cc1)NNC(=O)Nc1ccccn1	194238256	NNNXATDXZYYZTA-UHFFFAOYSA-N	320.736	1.967	50	20	DDGD	
Cc1ccccc1-n1ncc(C(=O)NNC(=O)C(C)(C)O)c1C	190058392	UQFJSSTYINWNDP-UHFFFAOYSA-N	316.361	1.021	50	20	DDGD	
CCc1ncncc1C(=O)NNC(=O)CCOc1ccccc1	142574514	LZGCBURVDWHGAO-UHFFFAOYSA-N	314.345	1.269	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccccc2)c(C)n1	92018960	OCCIFOYFALIWCC-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@H]1CCN(C(=O)OC(C)(C)C)C1	264833089	ZTEOLKSOQALOFV-ZKQHCESOSA-N	309.366	1.556	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCC2CCSCC2)cc1	265014782	CYEPHSPTLDSFGC-UHFFFAOYSA-N	318.402	1.645	50	20	DDGD	
N[C@@H]1CCC[C@@H](C(=O)NNc2nc(-c3cccnc3)no2)C1	269252729	QFLODXDTAMTGTL-MWLCHTKSSA-N	302.338	1.092	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@@H](C)[C@@H]1CCOC1)c1ccccc1	266547508	LCYZRAQGWLDCJZ-CFVMTHIKSA-N	319.405	1.936	50	20	DDGD	
CN1C[C@@H](NC(=O)NNc2ccc(OC(F)F)cc2)CC1=O	267499212	MDVVYLQJIKQGHR-VIFPVBQESA-N	314.292	1.145	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)Cn1cnc2ccccc21	266257661	VFWRYLQOGSWDNO-UHFFFAOYSA-N	316.361	1.167	50	20	DDGD	
CC1(C)C(C(=O)NNC(=O)COc2ccccc2O)C1(C)C	266815637	GWPHNZCQONCEBE-UHFFFAOYSA-N	306.362	1.601	50	20	DDGD	
Cc1ccccc1S(=O)(=O)NNC(=O)NC1CCCCC1	263850337	NPWJHEYIYXTGGL-UHFFFAOYSA-N	311.407	1.820	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H]2CCc3cn[nH]c3C2)cc1	266267037	YLFUIZYKPVPAMK-ZDUSSCGKSA-N	312.373	1.538	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H](C)CCc2ccco2)n1	279648593	MLBUQHHTINXKQT-LBPRGKRZSA-N	316.361	1.948	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)c1scnc1C1CCCC1	273596745	ULMOKIIWPOUNGJ-UHFFFAOYSA-N	324.406	1.086	50	20	DDGD	
C[C@@H]1CCN(CC(=O)NNC(=O)c2ccccc2)CC12CCC2	271310821	HTWGUNORTFLQCP-CQSZACIVSA-N	315.417	1.960	50	20	DDGD	
COC[C@H](NC(=O)NNc1cccc(C(=O)OC)c1)C1CC1	272569255	HUNQXIMSSOPTBB-ZDUSSCGKSA-N	307.350	1.524	50	20	DDGD	
COCCOc1ccc(NC(=O)NNC(C)=O)cc1Cl	273159840	BEEBQLBOJJTWNR-UHFFFAOYSA-N	301.730	1.538	50	20	DDGD	
NNC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1	270207450	IGZCECMSQRLVGH-VIFPVBQESA-N	301.268	1.044	50	20	DDGD	
O=C(NNC(=O)c1ccc(NCC2CC2)nc1)c1cccnc1	278537671	FMRHSIUNZYFVGJ-UHFFFAOYSA-N	311.345	1.373	50	20	DDGD	
O=C(NNC(=O)c1cccc(Br)c1F)NC1CC1	277261842	RGLZTFWBIPWMDI-UHFFFAOYSA-N	316.130	1.695	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)CC[C@H](C)OC	272784264	FLVQHSTYFBQSBV-NSHDSACASA-N	310.350	1.037	50	20	DDGD	
CS[C@H](C)CC(=O)NNC(=O)c1ccc2c(c1)OCCO2	270108808	GUOGHZYZRJNUNL-SECBINFHSA-N	310.375	1.360	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)C2CC2)cccc1NC(=O)N(C)C	279788858	XUVYOPXWOBKWCY-UHFFFAOYSA-N	319.365	1.651	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)n1	376017139	BPNKMBCTRHQQOV-GOCOPAARSA-N	300.362	1.379	50	20	DDGD	
COc1ccc(C(=O)NN(C)C(N)=O)c(OCCC(C)C)c1	276825590	NZILQOJKMUCOFK-UHFFFAOYSA-N	309.366	1.775	50	20	DDGD	
CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)NNc2ncccc2F)C1	286072843	SVKWNPQJJXVNID-SNVBAGLBSA-N	324.312	1.150	50	20	DDGD	
CC(C)(C)OC(=O)C1=NO[C@H](C(=O)NNc2cccc(F)n2)C1	286590811	OBPLNDZMCBJKJH-VIFPVBQESA-N	324.312	1.150	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2conc2C2CC2)cc1	280737198	JHKWAPPMTVMASF-UHFFFAOYSA-N	315.329	1.700	50	20	DDGD	
COc1cccc([C@@H](C)CCCC(=O)NNC(=O)CN(C)C)c1	280360497	BRXZEGYIAXGHMU-ZDUSSCGKSA-N	321.421	1.678	50	20	DDGD	
C[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)NNc1cnccn1	284631766	QCPLPTAFHAOBFV-UKRRQHHQSA-N	311.389	1.688	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1cccc2[nH]ccc12	296534202	RUXFPSCPJMVSIE-ZDUSSCGKSA-N	302.334	1.890	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)C2(C(N)=O)CC2)c(Cl)c1	802048748	XNRYBPYYRATTBK-UHFFFAOYSA-N	310.741	1.067	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc2c(s1)CCOC2	295341752	HZUDASHDHQTDGL-SNVBAGLBSA-N	310.375	1.151	50	20	DDGD	
O=C(NC[C@H]1COC2(CCCCCC2)O1)NNc1ccncn1	296583135	HZFCAXHEUFEQQS-LBPRGKRZSA-N	321.381	1.569	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNc2cc(C)ncn2)ccc1F	807003872	BGRDSYYCOIHBBG-UHFFFAOYSA-N	317.324	1.568	50	20	DDGD	
C[C@@H]1CSC[C@H]1NC(=O)NNc1ccc2c(=O)[nH]ccc2c1	807477668	VTGIKWISFYEAMS-NOZJJQNGSA-N	318.402	1.906	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)C2CCC2)cnc1C(F)(F)F	293738383	NIAQQVFDBVBTIZ-UHFFFAOYSA-N	312.251	1.533	50	20	DDGD	
Nc1ccc(C=NNC(=O)c2cc([N+](=O)[O-])ccc2O)cn1	807973860	LKNYUNQUECTOCV-UHFFFAOYSA-N	301.262	1.042	50	20	DDGD	
Cn1cc(CNC(=O)NNc2cc(C(F)(F)F)ccn2)cn1	296499489	YEODNJVBVZHEPT-UHFFFAOYSA-N	314.271	1.660	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C	808248892	SVWYJYHBDMGKOD-MRVPVSSYSA-N	319.254	1.212	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1nc(CC)c(C(=O)OC)s1	292252819	SKIUUKFIJQOKMH-BQYQJAHWSA-N	309.347	1.875	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCc1ccc(=O)[nH]n1	297455662	BYDWGWHAEXCJEV-UHFFFAOYSA-N	301.350	1.467	50	20	DDGD	
C[C@](O)(C(=O)NNc1nnc(-c2ccccn2)s1)C1CCC1	813531523	ATOQTXLNGYHTLH-CQSZACIVSA-N	319.390	1.594	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)C(=O)Nc2ccc(C)cc2)C1	819802825	AUBIMZYPTXVZJL-UHFFFAOYSA-N	317.345	1.379	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNc1ccc(S(C)(=O)=O)cc1	812537057	YDOKRMIQROPHBY-QWRGUYRKSA-N	314.407	1.452	50	20	DDGD	
CCCN1C[C@@H](CNC(=O)NNc2ncccc2F)CC1=O	817172484	APRPFPKLFGQSIJ-SNVBAGLBSA-N	309.345	1.105	50	20	DDGD	
COc1cc(C(=O)NN=C(C)CCCO)cc(OC)c1OC	814698708	PALZJPCQTTTYIZ-UHFFFAOYSA-N	310.350	1.591	50	20	DDGD	
COCc1cc(CNC(=O)NNc2ncncc2F)ccc1F	814298473	UGUYRQZLSMFBBL-UHFFFAOYSA-N	323.303	1.728	50	20	DDGD	
CC(Cc1ccc(F)cc1Br)=NNC(=O)C(N)=O	814695733	OHUZXYDYNSUILI-UHFFFAOYSA-N	316.130	1.108	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN(Cc2ccccc2)C1)c1ccc[nH]1	816823608	ADWHXNFSKLCPCL-CQSZACIVSA-N	312.373	1.298	50	20	DDGD	
COc1cc(C(C)=NNC(=O)c2cc([N+](=O)[O-])ccc2O)on1	814858262	RAFDICLZLCHAJX-UHFFFAOYSA-N	320.261	1.451	50	20	DDGD	
COc1ncc(C=NNC(=O)c2cc([N+](=O)[O-])ccc2O)s1	812226951	XSJGZTYKGOHPRX-UHFFFAOYSA-N	322.302	1.529	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=S)N[C@@H](C)C2CC2)cc1	727275688	VQKKKBMGWBWTCW-JTQLQIEISA-N	320.418	1.227	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2ncc(Br)s2)cn1	814852411	XJMTZAVQPXNDAB-UHFFFAOYSA-N	314.168	1.403	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1cccc(SCC)c1	813844635	IISVNZVWQVFWTF-UHFFFAOYSA-N	311.407	1.666	50	20	DDGD	
C[C@H]1SCC[C@H]1NC(=O)NNc1ccc(-n2cccn2)nn1	828531261	IMQBDSKIZYPVGF-NXEZZACHSA-N	319.394	1.182	50	20	DDGD	
COc1ccc(CN(C)C(=O)/C(C#N)=C\c2cnn(C)c2)cn1	827530689	LENATXSQMDKSDR-NSIKDUERSA-N	311.345	1.389	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cc(C(F)(F)F)nn1C	826135534	LSYKNNFDFSAYOD-ZCFIWIBFSA-N	307.276	1.638	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NN=Cc1ccncc1	491439925	KHKMVLHOBFEYDY-UHFFFAOYSA-N	307.354	1.239	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)/C=C/c2ccc(O)cc2)nc1	492614851	QOIULOQEGQSLRH-RUDMXATFSA-N	313.313	1.730	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CC23CCSCC3)n1	822208814	JLGDGVIWFZGMBE-LBPRGKRZSA-N	322.434	1.181	50	20	DDGD	
O=C(Cc1cccnc1)NN=C1CCN(CC(F)(F)F)CC1	728786757	WNDDQWGQYKOSIY-UHFFFAOYSA-N	314.311	1.754	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](O)c1ccccc1C(F)(F)F	907252166	BQKCKJWYNIKWNO-JTQLQIEISA-N	319.283	1.431	50	20	DDGD	
COC(=O)NNC(=O)Cc1ccc(-n2nc(C)cc2C)cc1	495366321	ACRXMWHHSZYGDN-UHFFFAOYSA-N	302.334	1.419	50	20	DDGD	
CCN(CCO)NC(=O)C1(c2ccc(OC)cc2)CCOCC1	823852362	FJSPACSEAANJTP-UHFFFAOYSA-N	322.405	1.089	50	20	DDGD	
CN1C(=O)CCC[C@H]1C(=O)NNc1ncc(Cl)cc1Cl	907476065	DNFMVWKJJRDTPD-VIFPVBQESA-N	317.176	1.842	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)COc1ccccc1C#N)C1CC1	822571786	GHOGNDOBMATKSC-CYBMUJFWSA-N	316.361	1.456	50	20	DDGD	
O=C(NN=C1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1	730576469	GXZNRWYGWKNVHJ-ZDUSSCGKSA-N	306.387	1.082	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@@]1(Cl)C[C@H]2CC[C@H]1O2	907092359	FKTFFENLRRXWPR-NQBHXWOUSA-N	311.725	1.967	50	20	DDGD	
O=C(NNc1c(F)cccc1F)c1cc(-c2nn[nH]n2)c[nH]1	823281816	YPRZWIQKDDQCKD-UHFFFAOYSA-N	305.248	1.230	50	20	DDGD	
N#Cc1ccc(NNC(=O)CNC(=O)N2CCCC2)cc1Cl	907348860	VLWPOAIFVVDFAD-UHFFFAOYSA-N	321.768	1.460	50	20	DDGD	
CCOC(=O)C[C@H](C)CNC(=O)[C@]1(C)C[C@H]1Br	907160138	UNCXMSOUHWGECZ-YGOYTEALSA-N	306.200	1.865	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)N[C@@H]1CCN(C2CC2)C1	734670794	IGRVMSVDGOPHSC-MRVPVSSYSA-N	314.311	1.967	50	20	DDGD	
COc1ccc(C)cc1CNC(=O)NNc1ccc(C)nn1	730020834	BIJNZYHLVVVSEC-UHFFFAOYSA-N	301.350	1.928	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F	495524223	NRUCEBYVRORITM-UHFFFAOYSA-N	314.273	1.191	50	20	DDGD	
COC[C@H](NCc1cccc(B(O)O)c1)c1ccc(F)c(F)c1	585035909	ZQATUGRKYQTVFP-INIZCTEOSA-N	321.132	1.122	50	20	DDGD	
CC(C)c1cnc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)s1	831728879	VZUQSNZTMQWACW-DTWKUNHWSA-N	312.395	1.844	50	20	DDGD	
O=C(Cc1c[nH]c2ccc(F)cc12)NNC(=O)[C@@H]1CCCCO1	833250307	FFCQXPURGHJTNW-AWEZNQCLSA-N	319.336	1.566	50	20	DDGD	
C[C@@H](CNCc1ccc(B(O)O)cc1F)c1ccc(F)cc1	585021588	BKAJHVIYWBTHBB-NSHDSACASA-N	305.133	1.538	50	20	DDGD	
C[C@]1(C(=O)N2CCN([C@@H]3CCOC3)CC2)C[C@H]1Br	906976527	PQTUDFYEEINARO-WZRBSPASSA-N	317.227	1.093	50	20	DDGD	
COc1cc(C=NNC(=O)c2cnn(C)c2)ccc1SC	735413465	LKKIVTFUBSHOMR-UHFFFAOYSA-N	304.375	1.915	50	20	DDGD	
C[C@H](NC(=O)[C@]1(C)C[C@H]1Br)[C@H](C)N1CCOCC1	906584451	WCQFWKHEKUFXMQ-MEWQQHAOSA-N	319.243	1.385	50	20	DDGD	
COC(=O)c1cccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	831241089	OERRCGDVYBJWED-CABZTGNLSA-N	321.333	1.051	50	20	DDGD	
Cn1cc(CCC(=O)N2CC[C@@H](B(O)O)C2)c2ccccc21	585065798	KJPDPRYZTSMFPR-CYBMUJFWSA-N	300.167	1.186	50	20	DDGD	
CN(C)Cc1ccc(NCc2ccc(B(O)O)cc2F)c(F)c1	585045900	JPXNWWOWICMUBK-UHFFFAOYSA-N	320.148	1.318	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H](O)CCSC)ccc1F	837037853	XESRKGBLPODSNK-LLVKDONJSA-N	316.354	1.169	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCCO1)c1cnnn1-c1ccccc1	834985815	KNWBWNAGBPWBFY-OAHLLOKOSA-N	313.361	1.677	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CN2[C@H](C)CC[C@H]2C)cc1F	837050036	CNMXQHXYEZSWTK-GHMZBOCLSA-N	323.368	1.928	50	20	DDGD	
O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)NCB(O)O	585062590	KEYVDHPMZFPXSU-UITAMQMPSA-N	307.464	1.414	50	20	DDGD	
CCNC(=O)NNC(=O)c1sc(C)cc1Br	837367565	QWUBSMVCJNQLHX-UHFFFAOYSA-N	306.185	1.783	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)CC(F)(F)F)Oc1ccccc1	733849822	NWGHWSJEZKYSGX-VIFPVBQESA-N	319.283	1.737	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2nnc(O)c3ccccc23)[C@H](C)O1	834926634	TVAZVWMKRFSPGY-IUCAKERBSA-N	300.318	1.619	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1cc(F)cc(N2CCOCC2)c1	831868362	UTGJCNABITUYAV-UHFFFAOYSA-N	316.336	1.236	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)NC1CCC(C(=O)O)CC1	739453438	HRFDOAFQVAZAAJ-UHFFFAOYSA-N	313.745	1.400	50	20	DDGD	
CCOc1cccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n1	831672711	PTLWDQHEURPHET-ZJUUUORDSA-N	308.338	1.058	50	20	DDGD	
Cc1c(NC(=O)C(=O)NNC(=O)C(C)(C)C)ccc(F)c1F	839511190	UTSMXMGVCCZBNS-UHFFFAOYSA-N	313.304	1.405	50	20	DDGD	
NNC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1	917371668	PAGXUSBWBZREQW-UHFFFAOYSA-N	309.322	1.230	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@](C)(OC)C2CC2)c1F	837062276	VNOCJCIECCJCHQ-HNNXBMFYSA-N	310.325	1.871	50	20	DDGD	
C[C@H](CS(C)(=O)=O)NC(=O)NNc1cc(F)ccc1F	918607098	MZAIILXWETVAOZ-SSDOTTSWSA-N	307.322	1.024	50	20	DDGD	
CC(C)c1c(C(=O)NN(C)C[C@@H](C)O)cnn1-c1ccccc1	910172792	FUXBJEYCWLEZSK-CYBMUJFWSA-N	316.405	1.953	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CCOc1ccc(F)c(Cl)c1	745139786	UJJAXDTUTUNZHG-UHFFFAOYSA-N	317.748	1.987	50	20	DDGD	
COc1ncnc(N)c1C=NNC(=O)c1cc2ccccc2o1	749832708	WUHMSJROUOXWBJ-UHFFFAOYSA-N	311.301	1.578	50	20	DDGD	
O=C(Cc1ccncc1)NN=Cc1nccn1CC(F)(F)F	747642593	WFPYOGBMNICZAU-UHFFFAOYSA-N	311.267	1.533	50	20	DDGD	
O=C(NN=Cc1cnc2cnccn12)c1ccc2c(c1)OCO2	746366300	LWHBBRGWZFXFJC-UHFFFAOYSA-N	309.285	1.222	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc(-n2cccn2)c1	843650577	DTRMYTCRSNLKSQ-BXUZGUMPSA-N	314.345	1.058	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1ccc(C(F)(F)F)cc1	847600631	VLIVRZVHXYZIQJ-NXEZZACHSA-N	301.268	1.660	50	20	DDGD	
C[C@@H](C(=O)NNc1nc(-c2ccncc2)no1)c1cnn(C)c1	749951327	QGDIZFYHBBDKRG-SECBINFHSA-N	313.321	1.112	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H](C)Cc2cnc[nH]2)cc1	848045068	SBEPNQRDFGPCOZ-SNVBAGLBSA-N	317.349	1.450	50	20	DDGD	
C[C@H](CCN)NS(=O)(=O)c1ccc(CCCCl)cc1	842790603	KPPYUQJTUVMMKL-LLVKDONJSA-N	304.843	1.874	50	20	DDGD	
CO[C@H](C=NNC(=O)[C@H](C)Oc1ccc(F)cc1)[C@@H]1CCOC1	841611109	NXRZVFWSHNALME-YWPYICTPSA-N	324.352	1.747	50	20	DDGD	
C[C@@H](COCC1CC1)NC(=O)NNc1ncc(F)cc1F	845590713	VAPTWJKOPXLGHR-QMMMGPOBSA-N	300.309	1.801	50	20	DDGD	
COCCCN(C)CCNC(=O)NNc1cccc(C#N)c1	745855809	AFFQEIVIMFIDBT-UHFFFAOYSA-N	305.382	1.153	50	20	DDGD	
O=C(NN=C1CCc2cc(Cl)ccc21)C(=O)N1CCCC1	743435848	AUQFJMXUPMARGL-UHFFFAOYSA-N	305.765	1.729	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC1CCC(N)CC1)c1ccccc1	841945786	XTMLYDCHWRKERH-NRXISQOPSA-N	318.421	1.781	50	20	DDGD	
CC(C)(C)n1cc(C(=O)C(=O)NNC(=O)C2CCCC2)cn1	917106296	WSKJOMRBJIUCAD-UHFFFAOYSA-N	306.366	1.158	50	20	DDGD	
O=C(NN=C1CCOc2c(F)cccc21)C(=O)N1CCCC1	748136083	ADZLGNIMTVRVRV-UHFFFAOYSA-N	305.309	1.051	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H]1CCN(C2CCCCC2)C1	749356857	KALRXIUBLWHMFC-ZDUSSCGKSA-N	310.442	1.772	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1	743357138	ZGTGFNLEGOOYIF-VHSXEESVSA-N	319.258	1.964	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1C	843646777	QYLZRWPGXSAXNR-UONOGXRCSA-N	320.389	1.645	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2CCCC[C@H]2SC)n1	845337534	TVNHDIZPIUYKJD-NXEZZACHSA-N	311.411	1.786	50	20	DDGD	
CC(C[C@H]1CCOC1)=NNC(=O)COc1ccc(C#N)cc1	751515763	DGAQEOVWZYTDRL-CQSZACIVSA-N	301.346	1.856	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCc2ccc(C)nc2)c1	858210287	LLZDEWRBEQLALW-UHFFFAOYSA-N	318.402	1.947	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CCCOCC2)c1C	853964887	RIUSVGKIMIPAJD-GFCCVEGCSA-N	321.377	1.977	50	20	DDGD	
Cc1ncc(C(=O)NNC(=S)N[C@H](C)C2CC2)c(C(C)C)n1	855100955	MHYFQFKDYUTGJW-SECBINFHSA-N	321.450	1.816	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)/C=C/CN1CCOCC1	928337309	PDWVASPBPQDNCY-NSCUHMNNSA-N	309.797	1.980	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCCOc1ccc2c(c1)CCC2	854923454	WJNLWTUNMWRUCT-UHFFFAOYSA-N	321.446	1.802	50	20	DDGD	
CCC1(C(=O)OCC(=O)NNC(=O)c2cccc(C)c2)CCC1	751752689	KQGDCIPGXFOPSS-UHFFFAOYSA-N	318.373	1.880	50	20	DDGD	
CCCNC(=O)c1ccc(NC(=O)NNC(=O)COCC)cc1	756126682	QHBXMNSUGNLKNY-UHFFFAOYSA-N	322.365	1.016	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1cc(F)c(F)cc1F	756430946	KUOFZZAWCUELIS-UHFFFAOYSA-N	313.239	1.602	50	20	DDGD	
O=C(O)CC[C@@H]1CCCCN1S(=O)(=O)CBr	390270608	RMIRFXFGYHGNMI-QMMMGPOBSA-N	314.201	1.388	50	20	DDGD	
CCn1cc(C(=O)C(=O)NC[C@]2(C)C[C@H]2Br)cn1	857249507	HHDXQLGAMRRIFL-SKDRFNHKSA-N	314.183	1.375	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)N[C@H]1CCOC1	752251966	JARZTBUJMRTZTM-VIFPVBQESA-N	313.741	1.082	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCC[C@@H](O)c1ccccc1	854287736	MDZHDLRQAFLDJP-OAHLLOKOSA-N	315.373	1.690	50	20	DDGD	
CCOCCNC(=S)NNC(=O)c1cccc(Cl)c1	750974834	OPGWCNVQKAZSNW-UHFFFAOYSA-N	301.799	1.485	50	20	DDGD	
Cc1cc(NNC(=O)C[C@@H]2CCS(=O)(=O)C2)ccc1Cl	928341982	MGDPMMSQGFKZKG-JTQLQIEISA-N	316.810	1.916	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2Cc3cnn(C)c3C2)cc(C#N)n1C	857880786	NRMSNERRKJFSMP-YIXHJXPBSA-N	320.356	1.388	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C[C@@H](C)c1ccco1	858163537	GELXPHXQRMCUPB-LLVKDONJSA-N	313.423	1.647	50	20	DDGD	
Cc1ccc(F)c2c1NC(=O)C2=NNC(=O)c1ccc(N)cc1	750916998	WTYACEKBBCOREI-UHFFFAOYSA-N	312.304	1.803	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1cccc(C#N)c1C	757733380	UGMGYRPHSLOWEE-LLVKDONJSA-N	320.349	1.071	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1cncnc1C1CC1	857475982	KOKYQBQIVYUYMT-UHFFFAOYSA-N	324.266	1.920	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1ccc(F)cc1O	750537479	LVBHKQPGGKDCFW-UHFFFAOYSA-N	324.333	1.692	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)[C@H](O)c1ccccn1	857476267	MUCBBZMIGQXIKP-SNVBAGLBSA-N	313.239	1.067	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(F)cc([N+](=O)[O-])c2)o1	752525115	VWMJKHREIXEVRH-UHFFFAOYSA-N	307.237	1.710	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C2CC(OC)C2)cc1OC	858149989	CAGHDAAILCKBFX-UHFFFAOYSA-N	322.361	1.280	50	20	DDGD	
Cc1cc(CNC(=O)NC[C@]2(C)C[C@@H]2Br)ncn1	856844013	ISTIUBWEGMVLDA-JQWIXIFHSA-N	313.199	1.758	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C=NNC(=O)c1ccc[nH]1	853283590	WKHKBEDAVHAVOQ-SMDDNHRTSA-N	301.350	1.632	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1c[nH]nc1-c1ccncc1	757417450	CWJHLDDLRBVAGV-UHFFFAOYSA-N	314.736	1.699	50	20	DDGD	
O=C(NNC(=O)c1ccn(-c2ccc(Cl)cc2)n1)NC1CC1	756947777	OTLWZNPADFXFMS-UHFFFAOYSA-N	319.752	1.632	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCO[C@@H](c2ccco2)C1	753846975	LJBDWLMUNJSDOU-GXTWGEPZSA-N	323.393	1.235	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1C(C)=NNC(=O)[C@H]1CCO[C@H]1C	853369559	ZVGHGDQORNLLNI-GWCFXTLKSA-N	321.333	1.869	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NC[C@]1(C)C[C@@H]1Br	857384948	CILAKDQUTUZTAM-CABZTGNLSA-N	305.216	1.438	50	20	DDGD	
CC(C)n1cc(NC(=O)NNC(=O)Cc2cccnc2)cn1	756830470	QQDGWLAKSOASJK-UHFFFAOYSA-N	302.338	1.254	50	20	DDGD	
Cc1cccc(CN2CC[C@H](NS(=O)(=O)CCl)C2)c1	867651532	ZOFOMQUUQRLDBV-ZDUSSCGKSA-N	302.827	1.685	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C2CCCC2)c1[N+](=O)[O-]	766399895	RHTSPNSBNZDGLB-UHFFFAOYSA-N	307.306	1.555	50	20	DDGD	
CC[C@H](C)Oc1ccc(NC(=O)C(=O)NNC(=O)C(C)C)cc1	763822190	ZBSGNMJCGPAWSM-NSHDSACASA-N	321.377	1.606	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NC[C@H]1CC[C@H](C(N)=O)CC1	867420575	VBVLTWUZGOZBAZ-XYPYZODXSA-N	324.874	1.463	50	20	DDGD	
C[C@@H](NNC(=O)[C@@H]1COc2ccc(O)cc2O1)C(F)(F)F	869376799	KZMCVXOKBBGSER-LDWIPMOCSA-N	306.240	1.104	50	20	DDGD	
C=CCC[C@@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1	862460435	GMGKPVXFGPIVBB-ZIAGYGMSSA-N	315.373	1.162	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=S)NCC1CCN(C)CC1	760462395	IDEOJCDQKNOLDT-UHFFFAOYSA-N	320.462	1.446	50	20	DDGD	
O=C(C[C@@H]1CCS(=O)(=O)C1)NNc1cccc(F)c1Cl	862505929	FRTZVCPLBNSYJQ-QMMMGPOBSA-N	320.773	1.747	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCc1cncc2ccccc12	768246360	YLCXPXZQXVNSAT-UHFFFAOYSA-N	301.346	1.086	50	20	DDGD	
OB(O)c1cccc(CNc2ccccc2Br)c1	864022706	SLZIWTMBPUDQNS-UHFFFAOYSA-N	305.968	1.741	50	20	DDGD	
N#Cc1c(F)ccc(C=NNC(=O)C(=O)N2CCCC2)c1Cl	761804304	QJWWRVDFQVOXAM-UHFFFAOYSA-N	322.727	1.423	50	20	DDGD	
O=C(NNC(=O)C1(F)CCOCC1)c1c[nH]c2ccccc12	864560281	XCLPLLFMDPGQPF-UHFFFAOYSA-N	305.309	1.448	50	20	DDGD	
CC(C)n1nccc1C(=O)NNC(=O)c1ccc(Cl)cc1O	767892685	VKPLPESSRDQKCW-UHFFFAOYSA-N	322.752	1.898	50	20	DDGD	
CCOc1cc(NC(=O)C(=O)NNc2cnccn2)ccc1C	766260795	XQNAASPMVKCMHW-UHFFFAOYSA-N	315.333	1.266	50	20	DDGD	
CC(C)c1nnc(CCC(=O)NNC(=O)NCC(F)(F)F)o1	1116896402	MZFYSCQQBASRGM-UHFFFAOYSA-N	323.275	1.018	50	20	DDGD	
O=C(NNC(=O)c1cccc2ccccc12)C(=O)Nc1ccon1	764057907	LJPABKHWQJESLJ-UHFFFAOYSA-N	324.296	1.228	50	20	DDGD	
CC[C@H]1CN([C@H](CC)C(=O)NNc2ccc(F)cn2)CCO1	874648440	PSAHJQHDCFWSAN-QWHCGFSZSA-N	310.373	1.553	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2nccnc2OC)s1	764471022	NPSMGCJWGGARFA-UHFFFAOYSA-N	308.319	1.090	50	20	DDGD	
C=CCC1(C(=O)NNC(=O)C(=O)NC(CC)CC)CCCC1	1117752178	CDQJCBBEPBBYPV-UHFFFAOYSA-N	309.410	1.575	50	20	DDGD	
COCCN(C)NC(=O)Nc1nnc(Cc2ccccc2)s1	877960819	DAAMWRHCLBCAND-UHFFFAOYSA-N	321.406	1.744	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc(F)c1F	772075947	OELDNMVCOVAOKP-ZETCQYMHSA-N	300.261	1.068	50	20	DDGD	
O=C(O)[C@@H]1CCN(C(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)C1	777366310	BLHGVFVNSMIRNN-DCJFZGGZSA-N	316.195	1.873	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(-n2cccn2)c(F)c1	878333237	QRPQESXYYIDGCO-UHFFFAOYSA-N	307.329	1.626	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNC(=S)Nc1ccccc1OC	873769457	OJXYCXGYSVFHDF-AWEZNQCLSA-N	311.407	1.564	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)Cc2ccc(F)cn2)nn1	1119310240	FZMFVHICTNACDW-UHFFFAOYSA-N	303.341	1.994	50	20	DDGD	
CC(=NNC(=O)C[n+]1ccccc1)c1ccccc1-n1ccnn1	1117102882	OIWIBQAYXLWCPE-UHFFFAOYSA-O	321.364	1.095	50	20	DDGD	
Cn1nccc1NC(=O)NNC(=O)c1cc2c(s1)CCC2	775752054	AQSNZBXIPFVNPN-UHFFFAOYSA-N	305.363	1.437	50	20	DDGD	
COCCOc1cc(C(=O)NNc2ccc(Cl)nn2)ccn1	777523038	GACOQWIWVVRHDW-UHFFFAOYSA-N	323.740	1.307	50	20	DDGD	
CO[C@H](C)CN(C)C(=O)NNC(=O)c1nc2ccccc2s1	873301086	MAHSAPMAYZTJNF-SECBINFHSA-N	322.390	1.617	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccccc1N=S(C)(C)=O	879805357	BQTLUCXNOHVKHW-UHFFFAOYSA-N	314.411	1.660	50	20	DDGD	
Cc1cccc(NNC(=O)NC2CCN(C(=O)C3CC3)CC2)n1	875048451	PZVIBSWEJCVJTM-UHFFFAOYSA-N	317.393	1.417	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C2[C@@H]3CCCC[C@@H]23)cn1	874953396	BGVYDBMPWBXELT-GHMZBOCLSA-N	320.418	1.844	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)COc1c(C)cccc1C	771904589	PGOLFAWXEQSCLM-GFCCVEGCSA-N	322.361	1.171	50	20	DDGD	
O=S(=O)(CCCCl)NC1CCN(c2nccs2)CC1	882156342	PLFJDWUQHBLHMC-UHFFFAOYSA-N	323.871	1.660	50	20	DDGD	
O=S(=O)(CCCCl)NCc1cc2c(nc1O)CCCC2	882505411	MQPSURZZHKXITC-UHFFFAOYSA-N	318.826	1.714	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccnc(Br)c1)N(C)C	771551354	COCCIGXJTYAZKK-VIFPVBQESA-N	301.188	1.627	50	20	DDGD	
CC[C@@H](C)NC(=O)CCNS(=O)(=O)CC(C)(C)CCl	885378742	IPYCFEHMLKNZMB-SNVBAGLBSA-N	312.863	1.476	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cccc3cc[nH]c23)nc(C)n1	783324177	FCXRJGNTKVVHPZ-UHFFFAOYSA-N	324.344	1.657	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNc1nc2ccccc2[nH]1	780682864	DDQVVJAZQNLGLG-UHFFFAOYSA-N	304.350	1.985	50	20	DDGD	
CC(C)(CNC(=O)/C(C#N)=C/c1ccc(O)cc1)S(C)(=O)=O	787410014	UXCTTWBCDOWHIE-XYOKQWHBSA-N	322.386	1.239	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CCc2ccccc2)nc(C)n1	880304323	XXEFBHFOABPPRS-UHFFFAOYSA-N	313.361	1.879	50	20	DDGD	
COC[C@@H](CNC(=O)NNc1ccccc1C(F)(F)F)OC	781393477	AWKLMABCVUUQLS-SECBINFHSA-N	321.299	1.993	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C2CC2)c(-c2ccc(Cl)s2)n1	789726692	FDANLTGHTRHZBB-UHFFFAOYSA-N	324.793	1.973	50	20	DDGD	
COCCC(C)(C)CNC(=O)NNc1ncncc1Cl	781016888	SMTDFHJFWWVNCV-UHFFFAOYSA-N	301.778	1.819	50	20	DDGD	
Cn1cc(N2CCC[C@H](OC(=O)/C(C#N)=C/C3CC3)C2=O)cn1	786678654	SSNLOQNHTCXVEZ-GMMCIKNFSA-N	314.345	1.319	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NNC(=O)NC1CCCCC1	899939843	CQKDBWZHUCVVFA-YGRLFVJLSA-N	319.409	1.739	50	20	DDGD	
CSSCCNC(=O)c1cncc(N2CCOCC2)c1	791154980	KMQHJNQRCYUELZ-UHFFFAOYSA-N	313.448	1.659	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)Cc1ncccc1F	792016895	CGPOUWHSSWECQP-UHFFFAOYSA-N	321.283	1.129	50	20	DDGD	
CC(=NNC(=O)c1ccc(O)c(O)c1)c1ccc(C(=O)O)o1	794550961	MCKYKOWYFLYKOL-UHFFFAOYSA-N	304.258	1.543	50	20	DDGD	
CC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)c1cnoc1C	799471131	CRYRATIWYALXDP-UHFFFAOYSA-N	303.278	1.627	50	20	DDGD	
CNS(=O)(=O)c1cc(C(=O)NCCSSC)c(C)o1	791098085	VWFVZLIDHBEGRZ-UHFFFAOYSA-N	324.449	1.237	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1cc(O)ccc1[N+](=O)[O-]	795586282	CTKFMEDPFAWJQJ-UHFFFAOYSA-N	320.261	1.038	50	20	DDGD	
COc1ccc(F)c2[nH]c(C(=O)NNC(=O)NCC3CC3)cc12	793200798	CUHPDLNYYFMRJU-UHFFFAOYSA-N	320.324	1.670	50	20	DDGD	
CCCNC(=O)c1cccc(C(=O)NNC(=S)NC(C)C)c1	1319053337	KRSUMLHCXBDDFJ-UHFFFAOYSA-N	322.434	1.344	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc(F)cc([N+](=O)[O-])c1	1318631065	CLUORDHCOTZQAW-UHFFFAOYSA-N	300.315	1.251	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ncoc2[C@H]2CCCO2)c1Cl	1319214374	GKNDSNAZPQJJJA-SSDOTTSWSA-N	324.728	1.309	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cnn(CC3CC3)c2)cc1	1329682509	PQBVRVICPIDEMT-UHFFFAOYSA-N	314.345	1.377	50	20	DDGD	
Cc1cccc([C@H](C)CNC(=O)NNC(=O)C2CCNCC2)c1	1325311735	TXBYMCBWXXSPPF-CYBMUJFWSA-N	318.421	1.429	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1cnn(C)c1)c1ccc(F)cc1	1320078116	NGPVVRCNKVPGME-ZDUSSCGKSA-N	319.340	1.655	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1n[nH]c2c1CCCC2)[C@@H]1CCOC1	1326100204	CUKKSPMOSBYCOW-MFKMUULPSA-N	306.366	1.056	50	20	DDGD	
CN(C)Cc1cc(C(=O)NNc2cc(F)c(F)c(F)c2)no1	1323654326	ACALAWSSNILZAE-UHFFFAOYSA-N	314.267	1.910	50	20	DDGD	
COc1nccnc1NNC(=O)c1ncoc1[C@H]1CCCO1	1320238366	ZVDPEIOGYTXGSR-MRVPVSSYSA-N	305.294	1.082	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)Nc2cccc(F)c2F)n[nH]1	1324367483	ADTBGPYLZRQJHV-UHFFFAOYSA-N	311.317	1.628	50	20	DDGD	
Cc1c(CC(=O)NNc2cncc(Br)c2)cnn1C	1324309515	QLFPOCPUGCXFIJ-UHFFFAOYSA-N	324.182	1.572	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1coc(C2CCOCC2)n1	1255902299	NRACNWHXXQRHPG-UHFFFAOYSA-N	312.395	1.086	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@H]2CCC(=O)c3cccn32)c1Cl	1321430295	RQDVZFVNFCRVIE-SECBINFHSA-N	320.740	1.175	50	20	DDGD	
CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NNc1ccncn1	1330645614	SZDCMGHJNNHTGE-NSHDSACASA-N	307.398	1.497	50	20	DDGD	
CC[C@H](F)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	1337152028	PQUPXEXJCULMID-VIFPVBQESA-N	305.350	1.187	50	20	DDGD	
O=C(COc1ccc(Cl)c(Cl)c1)N1CC[C@H](B(O)O)C1	585069731	RLVCTDUOKKKQTN-QMMMGPOBSA-N	317.965	1.448	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C(=O)c1cnn(C)c1	1339785185	CYRFJVKPVUMSNY-UHFFFAOYSA-N	322.756	1.313	50	20	DDGD	
CC1(CNC(=O)C(=O)NC[C@@]2(C)C[C@@H]2Br)CC1	1331080060	ZSSVMNPDEHRXJT-QPUJVOFHSA-N	303.200	1.192	50	20	DDGD	
COC(=O)N1CC(C)(NC(=O)/C(C#N)=C\c2ccc(F)cc2)C1	1337368372	OWCREGUXSQQTDY-GHXNOFRVSA-N	317.320	1.690	50	20	DDGD	
COC(=O)N(C)NC(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1	1349832554	CUWLTRLHFHUIIV-UHFFFAOYSA-N	322.296	1.038	50	20	DDGD	
CNC(=O)c1ccc(CS(=O)(=O)N2CC=C(C#N)CC2)cc1	1414231258	SSNNSYODLPFYGK-UHFFFAOYSA-N	319.386	1.032	50	20	DDGD	
C=CCC1(C(=O)NNC(=O)C(=O)NC(CC)CC)CCCCC1	1261259212	BFVWGILBMRWKAC-UHFFFAOYSA-N	323.437	1.965	50	20	DDGD	
Cc1csc([C@@H](NCC(=O)NNC(=O)C(C)C)C2CC2)n1	1344124774	OFUGXHJHOUYBPQ-LBPRGKRZSA-N	310.423	1.296	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)COCc2ccccn2)cc1	1353366612	FXLRDBIHYVRIRW-UHFFFAOYSA-N	315.329	1.068	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(-c2c(F)cccc2F)no1	1352303915	VJOIWXOWRRRVCZ-QMMMGPOBSA-N	311.288	1.577	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)c1ccc(-c2nn[nH]n2)[nH]1	1606862064	QIDWIXAZLMYNRK-UHFFFAOYSA-N	304.701	1.000	50	20	DDGD	
O=C(O)[C@H]1C[C@H](NS(=O)(=O)c2ccc(CCCl)cc2)C1	1602222020	YXDLZTLXHYOPSH-XYPYZODXSA-N	317.794	1.609	50	20	DDGD	
C[C@@]1(CNc2cc(-c3nn[nH]n3)ncn2)C[C@H]1Br	1603808180	XVPIARQKCMVJNA-XCBNKYQSSA-N	310.159	1.242	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)N[C@@H]1CCNC12CCC2	1608483668	VOUGPAVGKZGXKL-LLVKDONJSA-N	322.340	1.435	50	20	DDGD	
C[C@@H](CC(=O)O)NC(=O)NNc1cc(C(F)(F)F)ccn1	1609885653	PJYDYZUHOPGGJL-LURJTMIESA-N	306.244	1.590	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(F)c(C(=O)O)c2)c(O)c1	1607206211	MNDTYAJUDLQLKT-UHFFFAOYSA-N	320.276	1.995	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2cccn2[C@H](C)C(=O)O)c(O)c1	1600341735	YEGSLNBVYLMTTM-LLVKDONJSA-N	315.329	1.912	50	20	DDGD	
Cc1coc(CC(=O)O)c1C(=O)NNc1ccc([N+](=O)[O-])cc1	1600641453	DAQRVDFZZZPZBW-UHFFFAOYSA-N	319.273	1.880	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)O)cn1	1600947154	SBXNMZGPEFVBOA-CYUDUQMRSA-N	314.345	1.039	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	1603096886	DFYQEMIDFYWEOM-UHFFFAOYSA-N	304.310	1.036	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cc(C(=O)O)ccc2C)n1	1610369881	NGJLRNYIBZVDKX-UHFFFAOYSA-N	317.305	1.640	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@@H]2C=NNC(=O)C2CCOCC2)cn1	1552918633	DSRLWUUXARHYJY-UKRRQHHQSA-N	320.393	1.416	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C23CC(CN2)C3)cc1C	1579722297	CYICTZVXCYUHKC-UHFFFAOYSA-N	304.419	1.373	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)C[C@]1(O)CCNC1	1579646340	AIDYLSHSEOYHHV-MRXNPFEDSA-N	300.362	1.101	50	20	DDGD	
C=C(C)C[C@@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C(=O)O	1588537654	VBTFWJYACMQEFF-ICDLMJIXSA-N	300.314	1.835	50	20	DDGD	
CC(C)(C)C[C@H](O)CC(=O)NNc1ccc(CC(=O)O)cc1	1589757345	UUMKSXHSDDNWMG-CYBMUJFWSA-N	308.378	1.944	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN1)c1ccc(OC(F)F)c(Cl)c1	1580733574	YHGPAZUYBVEEBX-MRVPVSSYSA-N	319.695	1.064	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)c1csc(C(=O)O)n1	1599427038	XNHNRLDYFAGEKH-UHFFFAOYSA-N	311.294	1.746	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cnco2)C1	1841730029	DLDZAERAPMRVHE-SNVBAGLBSA-N	311.769	1.509	50	20	DDGD	
O=C(NNC(=O)[C@]1(C(=O)O)C[C@H]2CC[C@H]1C2)OCC(F)(F)F	1594778815	AUXSDKYDAJBXOX-HFJPGXAFSA-N	324.255	1.197	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CCCC2)cc(-c2nn[nH]n2)n1C	1591815945	DUYVVHOZEMISHB-KPKJPENVSA-N	311.349	1.043	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@]12C[C@H]1COC21CCC1	1595261664	FTSUZBRILHXGMJ-VFZGTOFNSA-N	303.318	1.182	50	20	DDGD	
O=C(NNc1cccc(F)c1F)c1cccc(-c2nn[nH]n2)n1	1593166939	CXQHPGXEKDJIGZ-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNc1cccc(F)c1C(=O)O	1598841528	ZUJNQMLLVVIUQR-MRVPVSSYSA-N	312.297	1.556	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1cc(C(=O)O)ccc1OC	1776115719	JGMBHKSYJIXTJA-XYOKQWHBSA-N	305.286	1.490	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NN=Cc1ccc(C(=O)O)c(O)c1	1776024172	DCQVRRKJTSHKPJ-UHFFFAOYSA-N	316.288	1.922	50	20	DDGD	
COC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Cl)C2	1792651470	AWJNLXGGZVYBBK-LMLFDSFASA-N	320.792	1.584	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1	13254537	AJJGWANVNYLPQP-KGLIPLIRSA-N	316.357	1.677	50	20	DDGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NNC(=O)C1CC1	14800726	XYTDYAYMKKDDSL-UHFFFAOYSA-N	316.336	1.799	50	20	DDGD	
O=C(NCc1ccc(F)cc1)C(=O)NNc1ccccc1F	153066635	ITEMNYSQTUCKDV-UHFFFAOYSA-N	305.284	1.724	50	20	DDGD	
C[C@H](CS(C)(=O)=O)C(=O)NNc1ccc(C(F)(F)F)cc1	153599424	ZLXGRBSUMIDVSM-MRVPVSSYSA-N	324.324	1.829	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2[nH]c(C)cc2C)cc1	157475981	XJIKGJWLJSKLOA-UHFFFAOYSA-N	301.346	1.780	50	20	DDGD	
O=C(NNc1ncccn1)Nc1ccc(C(=O)NC2CC2)cc1	154399782	ORFWIGFDJMYDMT-UHFFFAOYSA-N	312.333	1.517	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNC(=O)c1ccccc1O	159299047	CTCUNQNWRQSOON-VIFPVBQESA-N	316.361	1.687	50	20	DDGD	
CC(C)c1ccc(OCC(=O)NNC(=O)c2ccc[nH]2)cc1	6991777	GDASSPLDVNNUJX-UHFFFAOYSA-N	301.346	1.978	50	20	DDGD	
NC(=O)COc1cccc(NS(=O)(=O)CCCCCl)c1	228330507	MSLYNSALRNUBFI-UHFFFAOYSA-N	320.798	1.311	50	20	DDGD	
CN(Cc1nncn1C)S(=O)(=O)c1ccc(CCl)cc1	312730934	WBSJXFUEUBFHBC-UHFFFAOYSA-N	314.798	1.375	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc(F)cc1	6332232	YACZVVIORRMSSU-UHFFFAOYSA-N	302.261	1.629	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCCN(C)Cc1ccc(F)cc1	176424814	HIIGLKGTJNOEQW-SDNWHVSQSA-N	305.353	1.818	50	20	DDGD	
CC(=O)N1CCC(C(=O)NNc2ccnc3ccccc23)CC1	106924455	DYALLYQMCDLVAG-UHFFFAOYSA-N	312.373	1.936	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2cnccn2)cc1C	58169261	BZRYRMZIYCMSAJ-UHFFFAOYSA-N	301.375	1.725	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCS[C@H](C)C1	67481710	CLQWGEFLXZOSGP-SNVBAGLBSA-N	309.391	1.487	50	20	DDGD	
O=C(CCC(=O)c1ccc(F)cc1F)NNC(=O)c1ccc[nH]1	119938666	SLUKSSROJUJIDK-UHFFFAOYSA-N	321.283	1.717	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	65540416	VRTKAJPKHSOPFI-LLVKDONJSA-N	322.361	1.424	50	20	DDGD	
CCOC(=O)NNC(=O)c1cn(-c2ccc(F)cc2C)nn1	179966760	ALRAUXWRHBAVRC-UHFFFAOYSA-N	307.285	1.106	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Cc2cccc(Cl)c2)n1	67900154	GBALBXIJKFXJAC-UHFFFAOYSA-N	320.780	1.543	50	20	DDGD	
CNC(=O)NNC(=O)c1csc(Cc2ccccc2F)n1	117765753	WBGGGNVDVJJVSO-UHFFFAOYSA-N	308.338	1.447	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)C(=O)OC)cc1	177870159	MHTATDDYLRRUSQ-VSXLWIIGSA-N	302.330	1.670	50	20	DDGD	
O=C(NCC1CC1)NNS(=O)(=O)c1ccc2c(c1)CCCC2	64940306	NZTQUDWPCKSQNS-UHFFFAOYSA-N	323.418	1.468	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COCc2ccccc2)c(C)o1	69352281	FRDGOLHASQSEFB-UHFFFAOYSA-N	302.330	1.874	50	20	DDGD	
Cc1cc(F)c(C(=O)NNC(=O)Cc2cccnc2)cc1F	128492790	GWIVLOSYBUVOEY-UHFFFAOYSA-N	305.284	1.672	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1ccc(F)cc1O	123880608	GQLWQUSWXMHMDU-UHFFFAOYSA-N	318.304	1.509	50	20	DDGD	
CC(=O)N1CCC(NC(=O)NNc2cc(Cl)ccn2)CC1	182105568	QUNBKIQYDCNUTP-UHFFFAOYSA-N	311.773	1.372	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1c(F)cc(C#N)cc1F	128975099	LOWNOISXMAWVMQ-SSDOTTSWSA-N	317.317	1.192	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)N1CCCC1	125407364	RZISVXJDTRRJLU-BFHYXJOUSA-N	321.421	1.363	50	20	DDGD	
CS[C@@H](C)CC(=O)NNC(=O)c1cc(Cl)ccc1O	123054128	YKHVTVUARYYHGD-ZETCQYMHSA-N	302.783	1.948	50	20	DDGD	
CC(C)n1cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cn1	188390906	NASXVIZBEFZAII-UHFFFAOYSA-N	317.305	1.447	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CCc1ccco1	36638541	DSKLXKWRJUVFIK-NSHDSACASA-N	320.320	1.966	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)c2ccc(Cl)nc2)ccc1C#N	77249168	YQQKBZROHDECQL-UHFFFAOYSA-N	315.720	1.385	50	20	DDGD	
C[C@@](O)(CNC(=O)NNC(=O)c1ccccc1)c1ccsc1	77527332	LPHONASFBJNHQU-OAHLLOKOSA-N	319.386	1.600	50	20	DDGD	
CC(C)CC[C@H](C)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1	42999571	TYTKPGDPWAQPQM-WCQYABFASA-N	305.444	1.192	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ccc3cc[nH]c3c2)n1	134062728	SAXFULHHBCWCHF-UHFFFAOYSA-N	302.725	1.950	50	20	DDGD	
O=C(CCCCc1c[nH]nn1)NNc1cccc([N+](=O)[O-])c1	139604269	XEENKTIQPPUFOY-UHFFFAOYSA-N	304.310	1.569	50	20	DDGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NNC(=O)N(C)C	194930699	RWILUYGQSYCRSO-UHFFFAOYSA-N	319.340	1.544	50	20	DDGD	
C[C@H](CBr)CN1CCC[C@H](CS(C)(=O)=O)C1	381575222	YEMVGFRJZCYHEF-MNOVXSKESA-N	312.273	1.774	50	20	DDGD	
C[C@H](NC(=O)c1ccoc1)C(=O)NNC(=O)CC1CCCC1	195208297	IKBHREGPIXDJGC-JTQLQIEISA-N	307.350	1.126	50	20	DDGD	
CS(=O)(=O)c1ccc(C(=O)NNc2ccc(F)cc2)cc1	45971101	LMFNBUIUOCGKSB-UHFFFAOYSA-N	308.334	1.986	50	20	DDGD	
Cc1nn(C)c(C)c1CCC(=O)NNC(=S)N[C@@H](C)C1CC1	83677284	KHDNZYSTEMSMLY-VIFPVBQESA-N	323.466	1.263	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)COCCOc2ccccc2)n1	192897775	IEYGRCXRSXAWBR-UHFFFAOYSA-N	316.361	1.632	50	20	DDGD	
Cc1nn(C)c2sc(C(=O)NNC(=O)c3ccncc3)cc12	192752422	WGKKNOABZKAWJU-UHFFFAOYSA-N	315.358	1.413	50	20	DDGD	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1cccn1C	97641859	AUEUSKICKYJNSI-UHFFFAOYSA-N	307.737	1.762	50	20	DDGD	
Cc1ccc2nc(CSCC(=O)NNC(=O)C(C)C)cn2c1	97288231	PUSYWJNFGGTMPN-UHFFFAOYSA-N	320.418	1.679	50	20	DDGD	
CC(=NNC(=O)C1CC1)[C@H](c1ccccc1)N1CCOCC1	252507109	YKXSFJATTGGLKQ-MRXNPFEDSA-N	301.390	1.962	50	20	DDGD	
Cn1ccnc(NNC(=O)c2cc3c(s2)CCCCC3)c1=O	267270702	ZLQUWOGYFGRAHP-UHFFFAOYSA-N	318.402	1.868	50	20	DDGD	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)NNC(=O)C1CC1	264614089	HMAVBTDQGIMOIS-FPYGCLRLSA-N	315.373	1.094	50	20	DDGD	
COc1cccc(OCC(=O)NNc2nc(C)cc(OC)n2)c1	266892418	FSQSTKZROBNAJZ-UHFFFAOYSA-N	318.333	1.324	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC2CCN(C)CC2)c1	272657477	MBVNRFKJAZZOKJ-UHFFFAOYSA-N	306.366	1.194	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H]1CCCc2ccccc21	271478237	VVEQBJHFCOELCK-CYBMUJFWSA-N	323.487	1.965	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H](C)n2nnnc2C(C)(C)C)c1	273458593	QDSJRHPZBXXMCG-LLVKDONJSA-N	302.382	1.983	50	20	DDGD	
CSSCCNC(=O)N[C@H](c1nncn1C)C(C)C	286872809	DLQURZZNADRNKT-VIFPVBQESA-N	303.457	1.823	50	20	DDGD	
CSCC(C)(C)C(=O)NNC(=O)COCc1ccccc1	281725630	ALARVHPPXYNWBI-UHFFFAOYSA-N	310.419	1.740	50	20	DDGD	
CCOC(=O)c1scnc1/C=C(/C#N)C(=O)NCC(C)C	280099161	UIBSICTXOOXSOC-YHYXMXQVSA-N	307.375	1.999	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)c1cnn2c1CCC2	294574029	LVTYAXCQBZTNLC-UHFFFAOYSA-N	312.373	1.613	50	20	DDGD	
N#Cc1ccc(CNC(=O)NNC(=O)C2CCC2)cc1Cl	801071328	CRSUGESBWJKCKK-UHFFFAOYSA-N	306.753	1.842	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)c2sc(N)nc2C)[C@H]1SC	807961929	LXBMLKKXBYUUGU-PSASIEDQSA-N	314.436	1.660	50	20	DDGD	
COCCN(C)NC(=O)c1cc(N(C)C)c2ccccc2n1	293513278	CIFGLUJUTKUALG-UHFFFAOYSA-N	302.378	1.524	50	20	DDGD	
CCOc1ccccc1NC(=O)C(=O)NNc1ncccc1F	807301711	GFCSWCMTDUIWHF-UHFFFAOYSA-N	318.308	1.701	50	20	DDGD	
COc1cccc2c(C(=O)NNC(=O)c3ccccc3)n[nH]c12	809142919	HQMCZENZOAVGAO-UHFFFAOYSA-N	310.313	1.646	50	20	DDGD	
Cc1cccc(C2(C(=O)NNC(=O)[C@@H]3CCCCO3)CC2)c1	295595768	PLLSJTKNOBNDLW-AWEZNQCLSA-N	302.374	1.743	50	20	DDGD	
O=C(NNC(=O)C12CCCN1CCC2)c1cc2ccccc2o1	290485048	VRZJIPFOGAJCTQ-UHFFFAOYSA-N	313.357	1.822	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H](C)Sc2ccccn2)O1	293767718	AJNKWCFSPANUOA-DCAQKATOSA-N	309.391	1.277	50	20	DDGD	
Cn1c(=O)oc2cc(-c3csc(NNC(N)=O)n3)ccc21	800721318	QPWMZLINYJBBFD-UHFFFAOYSA-N	305.319	1.250	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=Cc1cc(F)ncc1F	807952960	RSJKBVAOOJNYSF-UHFFFAOYSA-N	316.267	1.761	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2ncc(F)cc2F)[C@@H]1OC	298248243	JWAIDPIINPQFCP-MXWKQRLJSA-N	316.308	1.178	50	20	DDGD	
COc1ccc(NNC(=O)Nc2cccc3c2COC3=O)nc1	808906537	WSBLGWQSGZORDN-UHFFFAOYSA-N	314.301	1.909	50	20	DDGD	
CCCCN(C)C[C@H](C)NC(=O)NNC(=O)c1ccccc1	290903645	FJPYMRDHUSXXHO-ZDUSSCGKSA-N	306.410	1.751	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(OC(=O)OCC)cc1	800328979	XPDNLSSNEIWZKU-UHFFFAOYSA-N	323.349	1.966	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)CNc1ccc(OC)cc1	295450856	QCKIGCQGTZOOKU-CYBMUJFWSA-N	309.366	1.070	50	20	DDGD	
CCCN[C@H](C)C(=O)NNc1nc2ccccc2c(=O)n1CC	295591806	FDRQCJLGBLATJB-LLVKDONJSA-N	317.393	1.248	50	20	DDGD	
CC[C@H]1[C@H](C)CCN1CC(=O)NNC(=O)c1ccc(F)cc1	299196900	DXGBLXPKHZGDRJ-RISCZKNCSA-N	307.369	1.707	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1cccc2c1OCO2	800835413	YWEXWROGEAAXQY-UHFFFAOYSA-N	314.363	1.161	50	20	DDGD	
O=C(NNC(=O)c1cnc[nH]1)Nc1ccc(Br)cc1	801998587	WLOLDFQZZBDACB-UHFFFAOYSA-N	324.138	1.639	50	20	DDGD	
CC[C@H](CNC(=O)NN=c1sc2ccccc2n1C)OC	811968033	AHTIUWCPZDHHIR-SNVBAGLBSA-N	308.407	1.780	50	20	DDGD	
CC(C)(O)CN1CCC(=NNC(=O)c2ccc(Cl)nc2)CC1	814217700	FRWFLNRYLFNTPL-UHFFFAOYSA-N	324.812	1.688	50	20	DDGD	
CC(=NNC(=O)Cn1c(C)nc2ccccc21)c1csnn1	814730170	LEJLARCOPULUHS-UHFFFAOYSA-N	314.374	1.737	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)CCc2ncccn2)c1	812541887	IKWSWQAJVKFLRM-UHFFFAOYSA-N	302.725	1.473	50	20	DDGD	
COCCC(COC)=NNC(=O)Cc1nc2ccccc2n1C	812223843	OOUVMFLVAUJSOT-UHFFFAOYSA-N	318.377	1.271	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NN=Cc2cn(C)nn2)c1	814990765	DACBVIHVFZEVEX-UHFFFAOYSA-N	308.729	1.633	50	20	DDGD	
O=C(NNc1ccc(Cl)c(F)c1)[C@@H]1CCc2nncn2C1	815857542	INKPTZINTDARKK-MRVPVSSYSA-N	309.732	1.776	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC(C#N)C2)c1C	817547491	ZZYXJNHBAFHGRZ-FRKPEAEDSA-N	312.373	1.640	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCC[C@@]1(O)C[C@H]2CC[C@H]1C2	813787827	NGADJFKCXDNEGZ-HOTUBEGUSA-N	323.315	1.210	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)C(C)(C)c2ccccc2)on1	814841473	DCIJXYWTZSUAFG-UHFFFAOYSA-N	315.329	1.889	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1cc(N)ccc1F	814869857	YMPOOUQMNCBFKX-UHFFFAOYSA-N	315.308	1.282	50	20	DDGD	
CC(=NNC(=O)C1CC1)c1nnn(-c2ccc(F)cc2)c1C	814699285	AQTZAPDUFGTQGK-UHFFFAOYSA-N	301.325	1.965	50	20	DDGD	
CC(C)(F)CCNC(=O)NNc1cccc(S(C)(=O)=O)c1	822111410	ZCMVOUCGCISNGJ-UHFFFAOYSA-N	317.386	1.854	50	20	DDGD	
CCCN(CC(=O)OCC)C(=O)/C(C#N)=C/c1cnn(C)c1	491134649	SDOCNLMVYCCCRI-NTUHNPAUSA-N	304.350	1.129	50	20	DDGD	
CCNC(=O)C(C)(C)NC(=O)/C(C#N)=C/c1ccc(O)cc1	491163900	YSVXMGVIGXSRLR-FMIVXFBMSA-N	301.346	1.330	50	20	DDGD	
COCCN1[C@@H](C)CN(C(=O)NCCSSC)C[C@H]1C	827057201	AVNNKJIJPSHQEO-TXEJJXNPSA-N	321.512	1.748	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCc2cc(F)ccc21	826755091	RVKDCSNPQDFKGX-LBPRGKRZSA-N	302.309	1.348	50	20	DDGD	
Cc1ccc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)o1	826281931	PUKYEOVMRAHVQW-UHFFFAOYSA-N	319.712	1.573	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C	496865467	RAQZFVMXFQBMFD-MNOVXSKESA-N	315.414	1.729	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1cc(C2CC2)[nH]n1	728075939	BTWGNEHALXXANL-UHFFFAOYSA-N	311.305	1.489	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cnn(-c2ccccc2Cl)c1	823964903	FXJUSIIZBAKPKR-SNVBAGLBSA-N	308.769	1.483	50	20	DDGD	
COCC1CCC(NC(=O)/C(C#N)=C\c2cnn(C)c2)CC1	491105062	PHKIEFKMEBBZGE-AUWJEWJLSA-N	302.378	1.648	50	20	DDGD	
CC(C)N1CCC[C@H](NC(=O)/C(C#N)=C/c2cnn(C)c2)C1	491009307	JSAOSFAENXPSOU-LULHVWEPSA-N	301.394	1.316	50	20	DDGD	
COCCCNC(=O)NNC(=S)NCCc1cccs1	727698328	LRRAORICXUKMLU-UHFFFAOYSA-N	316.452	1.005	50	20	DDGD	
COC(=O)N(C)N=C(C)c1ccc(OCC(=O)N(C)C)cc1	496820636	ORHCXWVLFOMECN-UHFFFAOYSA-N	307.350	1.576	50	20	DDGD	
COc1nccnc1NNC(=O)C[C@@]1(C)CC1(Cl)Cl	828524121	JTLPNOODIIFKJO-JTQLQIEISA-N	305.165	1.902	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC[C@H]2COc3ccccc3C2)cn1	822239359	QNXFMAKSVNAXRL-FCDDLGMRSA-N	322.368	1.695	50	20	DDGD	
CO[C@@H]1CCOc2c(NCc3cccc(B(O)O)c3)cccc21	585038913	MTARSRXSLVOSKG-MRXNPFEDSA-N	313.162	1.449	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCc1ccc2ccccc2n1	726540301	DGAJHDXQNQMPTP-UHFFFAOYSA-N	322.368	1.967	50	20	DDGD	
CC(C)[C@H]1CC[C@@H](C)CC1=NNC(=O)[C@@H](C)NS(C)(=O)=O	728437079	LZZWQJNNBLBWFJ-IJLUTSLNSA-N	317.455	1.489	50	20	DDGD	
O=S(=O)(CCl)NCc1cc(Cl)c2c(c1)OCCO2	829942079	BQNHSSKOEOVXSP-UHFFFAOYSA-N	312.174	1.727	50	20	DDGD	
COc1csc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1	826221576	LHVLFXZSYBNCKP-UHFFFAOYSA-N	316.346	1.694	50	20	DDGD	
C[C@]1(CNCc2cccc(B(O)O)c2)OCCc2sccc21	585041072	MQKMLPLSCJCWJL-MRXNPFEDSA-N	317.219	1.006	50	20	DDGD	
CCCN(NC(=O)[C@H]1CCc2nncn2C1)C(=O)OC(C)(C)C	495818677	LHRIANLKDBHXSJ-NSHDSACASA-N	323.397	1.519	50	20	DDGD	
CC(C)N1CC[C@@H](N(C)C(=O)/C(C#N)=C\c2cnn(C)c2)C1	491008541	IMCKBWNHDMUKFK-XIEDVDOYSA-N	301.394	1.268	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H]2CCc3cc(F)ccc32)n1	821480729	IHSHNANJQULJLF-GFCCVEGCSA-N	302.309	1.797	50	20	DDGD	
CCCNC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	491176501	PXFGOCQWULYCBZ-UXBLZVDNSA-N	304.262	1.936	50	20	DDGD	
CC[C@H](C(=O)NNC(=S)NCCCN(C)C)c1ccccc1	731941336	QYJUQAGZWRYWOB-AWEZNQCLSA-N	322.478	1.627	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccc(-n2cccn2)nn1)C(C)(C)C	734674748	PABQSECBWJQDOY-NSHDSACASA-N	317.397	1.971	50	20	DDGD	
O=C(C(c1ccccc1)c1ccccc1)N1CC[C@@H](B(O)O)C1	585071864	CBLWZOYHLLTODA-MRXNPFEDSA-N	309.174	1.894	50	20	DDGD	
Cc1cc(NNC(=O)C(C)(C)NC(=O)OC(C)(C)C)ncn1	491441378	SUIYRLCWMVCDMN-UHFFFAOYSA-N	309.370	1.531	50	20	DDGD	
CCO[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccccc1O	838734260	WPMQONISJASXHQ-TZMCWYRMSA-N	321.377	1.684	50	20	DDGD	
CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(B(O)O)cc2)C1	584955196	SFXOXXYWSWXMKJ-ZIAGYGMSSA-N	307.224	1.113	50	20	DDGD	
CNc1cc(C(=O)NNC(=O)c2ccccn2)cc(Cl)n1	732257294	JKRLIJPYBRWHIZ-UHFFFAOYSA-N	305.725	1.247	50	20	DDGD	
CC1(C)C[C@@H]1CNC(=O)NNC(=O)COc1ccccc1C#N	732892789	IKLRRYWOZSPRGO-GFCCVEGCSA-N	316.361	1.314	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	837852560	UAKDBVZVXJEEKA-XQQFMLRXSA-N	312.410	1.938	50	20	DDGD	
O=C1NCC[C@H]1C(=O)NNc1ccc(OC(F)(F)F)cc1	830791109	AKHCKFBQJLSIBA-SECBINFHSA-N	303.240	1.164	50	20	DDGD	
OB(O)c1ccc(CNc2ccc3c(c2)[C@H](O)CCCC3)o1	585047459	PLBKDQCTXJMGMV-OAHLLOKOSA-N	301.151	1.331	50	20	DDGD	
CCOCC(=O)NN=C(C)CCN1C(=O)c2ccccc2C1=O	731154068	ROANRPOEPOUDFW-UHFFFAOYSA-N	317.345	1.201	50	20	DDGD	
CCON1CCC(CC(=O)NNc2ccc(OC)cn2)CC1	832646730	UCOULEJRDVNWAP-UHFFFAOYSA-N	308.382	1.587	50	20	DDGD	
C[C@@H]1[C@@H](NC(=O)c2ccc(B(O)O)cc2)C[C@@H]1c1ccccc1	584960564	RXCDNFVJBUGZIO-ZLIFDBKOSA-N	309.174	1.288	50	20	DDGD	
CC(=O)NC[C@@H]1CCCN(C(=O)[C@@]2(C)C[C@@H]2Br)C1	906433040	IGHNOXRDAMVYPS-GVXVVHGQSA-N	317.227	1.535	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2ccc(C(=O)OC)c(F)c2)CC1	837050674	OJWZXEWRUMDTKG-UHFFFAOYSA-N	324.308	1.399	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)c1ccc(Cl)cc1C(=O)O	833467939	YFFQRKRJSJYOQZ-UHFFFAOYSA-N	320.754	1.004	50	20	DDGD	
CNC(=O)NNC(=O)COc1ccc(Br)c(C)c1	906394861	OGIMRCUUJHACGE-UHFFFAOYSA-N	316.155	1.097	50	20	DDGD	
CC(=O)N1CCC(NC(=O)[C@@]2(C)C[C@H]2Br)CC1	905327693	QHVCQNGXNUTQDA-PWSUYJOCSA-N	303.200	1.287	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1sccc1Cl	901964753	PDPWQEHJOTVLEV-UHFFFAOYSA-N	306.796	1.515	50	20	DDGD	
Cc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1ccc(B(O)O)cc1	584949634	GGOBYNHBICIRHK-FUHWJXTLSA-N	309.174	1.135	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H]2C[C@H](C)n3ccnc32)nc1	836627097	HDTAWQIOYNAXNQ-ONGXEEELSA-N	302.338	1.619	50	20	DDGD	
Cc1ccc(NNC(=O)Nc2cccc(-c3nn[nH]n3)c2)nn1	737362491	QYXKWNFAVCXWSZ-UHFFFAOYSA-N	311.309	1.114	50	20	DDGD	
COc1ccc(OC(F)F)c(C=NNC(=O)c2cnn(C)c2)c1	735412397	ZKJHMZUWWLPSMJ-UHFFFAOYSA-N	324.287	1.794	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)C2=CC[C@H](C)CC2)C[C@@H](C)O1	839474765	YYAUTQBDVHBBPE-MELADBBJSA-N	323.437	1.380	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCC2=CCCOC2)c1F	838592705	UDEPQOOPUVUUML-UHFFFAOYSA-N	323.324	1.585	50	20	DDGD	
COc1cc(C(C)=NNC(=O)C2CCC2)ccc1S(C)(=O)=O	731936482	ZJYYJRVWHAEQGK-UHFFFAOYSA-N	324.402	1.739	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1ccc(-n2cncn2)cc1	735411086	KNFGPFCYNDLVQN-UHFFFAOYSA-N	309.333	1.155	50	20	DDGD	
CC[C@](C)(C=NNC(=O)C1CCN(c2ncccn2)CC1)OC	834956011	LFEBAQXMDPWUIQ-MRXNPFEDSA-N	319.409	1.610	50	20	DDGD	
O=C(NCC1CCSCC1)NNC(=O)[C@H]1CCCCO1	838472179	QPVDKQOYCLIRSI-LLVKDONJSA-N	301.412	1.029	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)Cc1ccnc(OC)c1	834962175	HMZBZROJXKRIPA-LBPRGKRZSA-N	309.366	1.176	50	20	DDGD	
CCS(=O)(=O)CC(C)=NNC(=O)CCc1ccccc1O	733747057	FAFFCPJLDYJLOV-UHFFFAOYSA-N	312.391	1.252	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@H](C)CSC)cc1F	838482633	NRSWWXSLYVUMAW-MRVPVSSYSA-N	315.370	1.990	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)nc1Cl	833243622	VKOSSKYTYQWCBH-JTQLQIEISA-N	313.741	1.074	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1c(F)cccc1OC	748259147	GCGXKSIABOFGJD-LLVKDONJSA-N	312.341	1.726	50	20	DDGD	
C[C@H](C(=O)OCC(=O)NNC(=O)c1cccs1)C(F)(F)F	745615609	FQANWISYDFDDGP-ZCFIWIBFSA-N	324.280	1.251	50	20	DDGD	
CN1CCN(CC(=O)NNc2cccc3c2CCCC3)CC1	748588379	LBVGQUWQUSRSMW-UHFFFAOYSA-N	302.422	1.256	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)c1cccc(OC)c1O	740083708	MBTMSJJVKOKYHR-UHFFFAOYSA-N	305.290	1.026	50	20	DDGD	
NCC[C@H](NC(=O)NNC(=O)c1ccc(Cl)cc1)C(F)F	842004733	HGKCHQXDOSPHMV-VIFPVBQESA-N	320.727	1.267	50	20	DDGD	
N[C@H]1CCCN(C(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)C1	846661726	FPQLCLYBQZEEBN-MEWQQHAOSA-N	301.228	1.890	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)Cc2ccc(F)cc2)cc1C1CC1	742035774	YXOKSFRSAALLEJ-UHFFFAOYSA-N	316.336	1.440	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(C)cc3c[nH]nc23)n1	746628035	SOVTZBZRBWYQCY-UHFFFAOYSA-N	312.333	1.735	50	20	DDGD	
O=C(CCc1ccncc1)NNC(=O)c1ccc(Cl)cc1O	918362724	VQFKHUYAWZMVTR-UHFFFAOYSA-N	319.748	1.834	50	20	DDGD	
O=C(CNc1ccccc1)NN=Cc1ccc([N+](=O)[O-])c(O)c1	748131553	KLPHXCPPFKWWDY-UHFFFAOYSA-N	314.301	1.863	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)Cc2cnc[nH]2)cc1	847288230	XSXQDBCPVGLSBJ-LBPRGKRZSA-N	316.361	1.123	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1)c1ccco1	916370687	DSPDKNGNXJRKQP-UPJWGTAASA-N	307.394	1.865	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2scc3c2OCCO3)n1	848371359	LQLSALQSCIRVLU-UHFFFAOYSA-N	321.362	1.132	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCOC2(CCC2)C1)OCC(F)(F)F	912596804	IUJFPRPSWVDJJR-MRVPVSSYSA-N	310.272	1.655	50	20	DDGD	
CCC(=O)NN=C(C)c1ccc(OCC(=O)N2CCCC2)cc1	915915574	CPNJLNYDVONIDW-UHFFFAOYSA-N	317.389	1.938	50	20	DDGD	
Cc1cc(CC(=O)NNc2nc(-c3ccncc3)no2)no1	746201927	RAIVIXKKTRHQBI-UHFFFAOYSA-N	300.278	1.114	50	20	DDGD	
Cc1ccc2cc(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)ccc2n1	843658641	FIXKVVSIRHGDAU-RISCZKNCSA-N	313.357	1.729	50	20	DDGD	
N#Cc1ccc(NNC(=O)CCNC(N)=O)cc1C(F)(F)F	746896661	OEYDGBGSOLMXFU-UHFFFAOYSA-N	315.255	1.079	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H](C)Cc2ccncc2)n1	749619467	GZSFQBCERQTLKA-SNVBAGLBSA-N	316.365	1.446	50	20	DDGD	
Cn1ccnc(NNC(=O)C2(c3ccc(F)cc3)CCC2)c1=O	749543314	MWRMKSMBOPWGJL-UHFFFAOYSA-N	316.336	1.484	50	20	DDGD	
Cc1cc(C)cc(NC(=S)NNC(=O)C(=O)N2CCCC2)c1	748152705	XQKIZVUEFGSSAA-UHFFFAOYSA-N	320.418	1.243	50	20	DDGD	
Cc1ccc(C(=O)NN(C)C[C@@H](C)O)cc1Br	910164550	VSJUHJDPWDQEEA-SECBINFHSA-N	301.184	1.715	50	20	DDGD	
CC(C)c1[nH]nc(C(=O)NN(C)C[C@@H](C)O)c1Br	910166640	ZIJQWBWPUUTQGC-SSDOTTSWSA-N	319.203	1.253	50	20	DDGD	
CO[C@H](C(=O)NN(C)C(N)=O)c1ccccc1Br	847635479	DBKBHKDRSAGAMF-VIFPVBQESA-N	316.155	1.178	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NC[C@@H]1CNCCCO1	842012379	YWBLCUHPBDLGIY-AWEZNQCLSA-N	306.410	1.562	50	20	DDGD	
O=C(CCn1ccnc1)NNC(=O)c1cccc2ccccc12	741576134	LXWIZOADIYCFMT-UHFFFAOYSA-N	308.341	1.888	50	20	DDGD	
COc1nc2sccn2c1C=NNC(=O)NC1CCCC1	743532115	PIRMNZZUJMCKCL-UHFFFAOYSA-N	307.379	1.980	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)Cc1csc2ccccc12	916040847	KYWHGXAKCZCUOZ-UHFFFAOYSA-N	319.386	1.116	50	20	DDGD	
O=C(NN=CC1CCCC1)c1csc(N2CCOCC2)n1	741838872	WWYFVOBUFDETES-UHFFFAOYSA-N	308.407	1.886	50	20	DDGD	
COc1ccc(SCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	843649535	WKFQEVWDPFYIAH-MFKMUULPSA-N	324.402	1.360	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cccn2cc(C(F)(F)F)nc12	910138949	NNCCDSXYMRARAH-MRVPVSSYSA-N	316.283	1.311	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@H](CC(C)C)OC	841376764	ZPJGNWKQWHGIGN-AWEZNQCLSA-N	324.377	1.283	50	20	DDGD	
Cn1ccnc(NNC(=O)C(F)(F)c2ccc(F)cc2)c1=O	747945756	PWPUGLRRCLFGTJ-UHFFFAOYSA-N	312.251	1.155	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCCc2ccco2)cc1	915906774	AICDJDSWEWLIDR-UHFFFAOYSA-N	317.345	1.540	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)C1(C)C	843970812	LLJPQVQGISYQBA-LOWDOPEQSA-N	310.394	1.200	50	20	DDGD	
CC[C@@H]1CN([C@H](C)C(=O)NNC(=O)CC(C)C)[C@H](CC)CO1	844384418	ATIUCAUPZSYFAQ-MGPQQGTHSA-N	313.442	1.458	50	20	DDGD	
N#Cc1csc(C=NNC(=O)CNC(=O)c2ccco2)c1	748076128	QAQMLBLFAXIHJY-UHFFFAOYSA-N	302.315	1.093	50	20	DDGD	
Cc1ncc2n1C[C@H](C(=O)NNC(=O)NC1CCCC1)CC2	845321157	JTOMQCSMPFISMH-LLVKDONJSA-N	305.382	1.027	50	20	DDGD	
C[C@@](CC(=O)NNC(=O)C1CC1)(C(=O)O)c1ccc(Cl)cc1	840721433	CIJNAAGHNWMICB-HNNXBMFYSA-N	324.764	1.630	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1ccc(CC(=O)O)cc1	842553228	GCVHRSICCVANRG-FZMZJTMJSA-N	304.346	1.579	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)CCN2CCCCCC2)[nH]1	747629607	GUQAMIHPBZXEMZ-UHFFFAOYSA-N	320.393	1.518	50	20	DDGD	
CC(C)Cc1ccc(CC(=O)NNC(=O)c2ncccn2)cc1	841353472	BTAUFMVSRBWGJN-UHFFFAOYSA-N	312.373	1.679	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2ncnn2C)c1	842519935	WYZZSJZKEHPNAZ-UHFFFAOYSA-N	315.377	1.776	50	20	DDGD	
O=C(NNc1ccccc1OC(F)(F)F)NC1CCNCC1	841916383	WUAPOEIVHQJLPS-UHFFFAOYSA-N	318.299	1.963	50	20	DDGD	
CCc1ncc(C=NNC(=O)CNc2ccccc2OC)cn1	841604213	RMSLIFSWALKXFT-UHFFFAOYSA-N	313.361	1.610	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC[C@H](C)O)c1C	849617176	HPXQLEMNEWLTLC-RKPNYOAGSA-N	320.389	1.972	50	20	DDGD	
COCC1(CC(=O)NNC(=O)COc2cccc(C)c2)CC1	843752254	MUSQLWAUOJLJOK-UHFFFAOYSA-N	306.362	1.338	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=C1C(=O)Nc2cccc(Cl)c21	842555601	MDCBBBWVEUWWQR-SFYZADRCSA-N	307.737	1.537	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@]1(c2ccccc2)CCC(=O)NC1	847345745	MHOKFUAXRGQIPM-QGZVFWFLSA-N	317.389	1.028	50	20	DDGD	
CCNC(=S)NNC(=O)NCc1cccc(C(F)(F)F)c1	921271298	CAUOJLIMZHYDJW-UHFFFAOYSA-N	320.340	1.904	50	20	DDGD	
CN1C(=O)CC[C@H]1C(=O)NNc1nc(C(F)(F)F)cs1	753424726	IJJXPXKSJZVPIH-YFKPBYRVSA-N	308.285	1.226	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)c1ccco1	855831412	QWGJBKWRSFOCOM-NSHDSACASA-N	323.393	1.473	50	20	DDGD	
CCC[C@@H]1CCCC[C@@H]1CNC(=O)NNC(=O)c1cn[nH]c1	858524883	LHFWQSAYRBSQAU-VXGBXAGGSA-N	307.398	1.960	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN(CC1CCC1)CC(F)(F)F	752333811	VTCAOBFHVZZTMJ-UHFFFAOYSA-N	323.359	1.844	50	20	DDGD	
CC(C)COc1ccc(C2(C(=O)NNC(=O)CO)CCC2)cc1	753445202	WEVHXSQGADIGKW-UHFFFAOYSA-N	320.389	1.283	50	20	DDGD	
CCCc1nnc(NC(=O)NNC(=O)c2ccccc2O)s1	755473271	UJOBXUZJBHZCBU-UHFFFAOYSA-N	321.362	1.663	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc3c(cc2O)OCO3)o1	752824641	UZBNVHXZNCMDTQ-UHFFFAOYSA-N	304.258	1.097	50	20	DDGD	
COCCCNC(=O)NN=Cc1c(Cl)nc2ccccn12	920829336	DCAMAWHGNWZFIW-UHFFFAOYSA-N	309.757	1.657	50	20	DDGD	
Cc1cnc(C(C)(C)NCC(=O)NNC(=O)C(C)(C)C)s1	754702435	RRPNSCNOFTUGMS-UHFFFAOYSA-N	312.439	1.470	50	20	DDGD	
COCc1cccc(C(=O)NNC(=O)OCC(F)(F)F)c1	856024925	KOUQIKHEQSWHFG-UHFFFAOYSA-N	306.240	1.766	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1nc2c(s1)CCCC2	755410704	FAPWRUAOAZNAPB-UHFFFAOYSA-N	320.378	1.520	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC(C)(C)[C@@H]1c1cccnc1	854040555	FDXJOZSWLSDKBG-AWEZNQCLSA-N	318.421	1.658	50	20	DDGD	
CO[C@H](C=NNC(=O)CNC(=O)c1ccco1)C1CCCC1	853299698	VCKPBNYDVDUUGW-CYBMUJFWSA-N	307.350	1.317	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)NCC1=CCCC1	852632625	CHZDVSKRFNXHFI-UHFFFAOYSA-N	321.402	1.925	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1nccc2[nH]ccc12)C1CC1	855094495	CJQUDBUMZBALQK-MRVPVSSYSA-N	303.391	1.470	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1ccc2occc2c1	852394019	LELFEVMUCRBIMW-MFKMUULPSA-N	317.345	1.688	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(C)(C(=O)NCCCSC#N)C1	854366788	GPFRMVRKMQUHOY-UHFFFAOYSA-N	313.423	1.964	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)N[C@H]1CCSC1	853799273	KKSCCRCMAURPTP-ZETCQYMHSA-N	300.315	1.866	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cc(Cl)ccc1O)c1cnn(C)c1	750233805	STHISCLBZOAOAC-QMMMGPOBSA-N	322.752	1.344	50	20	DDGD	
COCCCNC(=O)NN=C1CCOc2c(F)cc(F)cc21	920831317	DJQTXGLVGHLIAR-UHFFFAOYSA-N	313.304	1.787	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)n1	751321900	QWYNXOWFOKISRR-UHFFFAOYSA-N	319.277	1.159	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C2CC(F)(F)C2)c1	754014102	MKXWMIOLKVCHSA-UHFFFAOYSA-N	313.304	1.300	50	20	DDGD	
Cn1cc2c(n1)CCC[C@@H]2C(=O)NNC(=S)NCC1CCC1	855090424	VVRNWNCFGSBMLQ-NSHDSACASA-N	321.450	1.135	50	20	DDGD	
CCc1cccc2cc(C=NNC(=O)C(=O)NC(C)C)oc12	853283645	XYDFOHVVZMDMDZ-UHFFFAOYSA-N	301.346	1.970	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cccc3c2CCNC3)n1	852841402	JOOZVMFDJWLSDT-UHFFFAOYSA-N	313.361	1.196	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cc(C(=O)NC)ccc1OC	755918514	GALOXRSMXMMYDV-VIFPVBQESA-N	322.365	1.254	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2cc(C(N)=O)cs2)cc1	755887537	LVEMJXHYPSOCGE-UHFFFAOYSA-N	317.370	1.685	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C(C)C[C@@H]1CCOC1	751517652	YPVZHGJUBBHQLE-ZDUSSCGKSA-N	306.362	1.993	50	20	DDGD	
C[C@H](C(=O)OCC(=O)NNC(=O)c1cccs1)C1CCCC1	750471795	KNYFUWUBEYDVMT-JTQLQIEISA-N	324.402	1.879	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@H]1CCOC2(CCC2)C1	856879095	IPGLLPQIIIDDJX-JTQLQIEISA-N	311.773	1.858	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@H](O)c2ccc(C)o2)c1	858706470	UJKDCNXVIHEFFW-JTQLQIEISA-N	323.374	1.636	50	20	DDGD	
C[C@@H](C[C@H]1CCOC1)NC(=O)NNC(=O)CCc1ccccc1	759765642	BTJXHSCOXZTYAW-DZGCQCFKSA-N	319.405	1.765	50	20	DDGD	
CC[C@H](C)[C@@H](C)NCC(=O)NNC(=O)c1ccc(C#N)cc1	754167306	IYQBTHMLKOOODC-NWDGAFQWSA-N	302.378	1.343	50	20	DDGD	
CC[C@](C)(NC(=O)NNC(=O)c1cc(C)[nH]n1)C(F)(F)F	933522929	VAPKZIQNFFABII-JTQLQIEISA-N	307.276	1.393	50	20	DDGD	
CSc1ccc(NC(=O)C(=O)NNc2cnccn2)cc1	753940930	NYIQMFUXDNQDCG-UHFFFAOYSA-N	303.347	1.280	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H](CN)C2CCCC2)C[C@@H]1Br	857103580	LLOFPIDEBGQDAB-GMXVVIOVSA-N	318.259	1.977	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1CC(=NNC(=O)c2cc[nH]n2)C1(C)C	853391198	CLBPYCHMNJOZSM-SNVBAGLBSA-N	321.381	1.819	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)Cc2cscn2)n1	857153490	ZWTMZMOQMFVSGE-UHFFFAOYSA-N	306.395	1.465	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](C(=O)NNc2nc3ccccn3n2)CCO1	935620312	GJPJJHUFIZULLH-RYUDHWBXSA-N	303.366	1.624	50	20	DDGD	
CC[C@H](C(=O)NNc1ccc(Br)nc1)N(C)C	754465624	LQXHBBCLXIRKRX-SECBINFHSA-N	301.188	1.627	50	20	DDGD	
O=C(CCN1CCCC1=O)NNc1ccc([N+](=O)[O-])cc1F	855620619	ASPHPKAMNJYORL-UHFFFAOYSA-N	310.285	1.190	50	20	DDGD	
C[C@H](NNC(=O)c1csc(-c2cnccn2)n1)C(F)(F)F	862312327	JMCGJKOQTWBPCV-LURJTMIESA-N	317.296	1.785	50	20	DDGD	
C[C@@](NC(=O)NNC(=O)c1cccnc1)(C1CC1)C(F)(F)F	933580099	RIDCLBOFAWTISW-GFCCVEGCSA-N	316.283	1.757	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@H]1CSCCS1	863096596	NSMODHKJZDLDOR-RXMQYKEDSA-N	310.313	1.653	50	20	DDGD	
Cc1cscc1NC(=O)C(=O)NNC(=O)c1ccccc1O	763528289	XFLFXPZDJRBZNF-UHFFFAOYSA-N	319.342	1.162	50	20	DDGD	
COCCOCC(=O)NNC(=O)CCC1CCCCCC1	869903445	SSDDKNGNPZOBAI-UHFFFAOYSA-N	300.399	1.547	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNC(=O)OCC(F)(F)F)n1	869281816	MEWJLPHGNCWCIS-SSDOTTSWSA-N	308.260	1.147	50	20	DDGD	
C[C@H]1CN(c2ccccc2C=NNC(=O)c2cn[nH]c2)CCO1	863156267	SZOBMKNNKMFXBV-LBPRGKRZSA-N	313.361	1.399	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccc(N2CCCCCC2)cc1	935563671	PBBAJZLNYTVFGS-UHFFFAOYSA-N	319.405	1.599	50	20	DDGD	
O=C(/C=C/c1cncc(O)c1)NNCC(F)(F)C(F)(F)F	863098007	XVINMMKSLMPWOH-OWOJBTEDSA-N	311.210	1.619	50	20	DDGD	
CC1=C(C(=O)NN[C@@H](C)C(F)(F)F)[C@H](C)n2ncnc2N1C	862318228	NKLUXFXXXWLUTF-YUMQZZPRSA-N	318.303	1.135	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H]2CCN2C(C)(C)C)cc1	860225466	KHMUCQHPMAIDPB-CYBMUJFWSA-N	320.393	1.721	50	20	DDGD	
CC1(c2cccc(CNS(=O)(=O)CCl)c2)OCCO1	867302837	UYLRANWEHUDDGD-UHFFFAOYSA-N	305.783	1.522	50	20	DDGD	
N#CC1=CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1	767176682	IXCLXBGHAIZMKQ-UHFFFAOYSA-N	318.340	1.622	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)C(=O)NC(C)C)CCCO2	763151866	CZJTWYMXQFCOAK-UHFFFAOYSA-N	319.361	1.213	50	20	DDGD	
CCc1cccc(NC(=O)C(=O)NNC(=O)C2CCCC2)c1	764077213	NCSZPYNXNSXZJK-UHFFFAOYSA-N	303.362	1.525	50	20	DDGD	
CN(C)CC1(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)CC1	873798363	HOOBCSSYZICAFB-UHFFFAOYSA-N	314.389	1.200	50	20	DDGD	
COc1cccc2[nH]c(C(=O)NNC(=S)NC(C)C)cc12	1119621364	SFSRHCCDSCXPBH-UHFFFAOYSA-N	306.391	1.694	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)CN2CCCC2)c1	874946739	UOUDUQBJFUHVKY-UHFFFAOYSA-N	310.398	1.548	50	20	DDGD	
C=CC(C)(C)CC(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1	877998744	DHOXXKLUEGGRDA-CHWSQXEVSA-N	311.426	1.235	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@H]2CNC(=O)C[C@H]2C(F)(F)F)c1	879122384	MHXUXRSPOBRLGG-DTWKUNHWSA-N	316.283	1.148	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cccc([S@](C)=O)c2)n1	771401772	PWZIKCBXVOHXJH-QFIPXVFZSA-N	320.374	1.288	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1ccncc1C	770212192	NOVDVCXFIJMUNN-UHFFFAOYSA-N	315.329	1.239	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C	875002901	KAUHFGZFMJTBBT-LBPRGKRZSA-N	312.345	1.341	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=S)Nc1ccc(OC)nc1	874953879	KESATRCPDYQCBR-SNVBAGLBSA-N	324.406	1.389	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CCC[C@@H]2CCO)c1	779710254	AWKZAYZNEHSWAM-BXUZGUMPSA-N	321.377	1.650	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CCC[C@H]2CCO)c1	875516676	XGXSXGRLLZCELC-WDEREUQCSA-N	311.407	1.552	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C)C(C)C	770208330	MSCUMYANKWHTEP-DZGCQCFKSA-N	322.405	1.889	50	20	DDGD	
CCOc1nc(C(=O)NNC(=O)c2cc3c(s2)CCC3)co1	771876194	VJQKILGZLFMFES-UHFFFAOYSA-N	321.358	1.698	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2CC[C@H]2C(N)=O)c(C)c1	873761243	VRNGPZXHHAKSKL-GHMZBOCLSA-N	320.418	1.133	50	20	DDGD	
CCCONC(=O)NNC(=O)c1ccc(Br)cc1	1118196605	BUWJNBRYSZUNLZ-UHFFFAOYSA-N	316.155	1.735	50	20	DDGD	
CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)NNC(=O)C1CCC1	770837783	VYLDARVMBJIXDD-RTXFEEFZSA-N	311.426	1.957	50	20	DDGD	
COCCN(C)NC(=O)Nc1nc2ccc(OC)cc2s1	877892857	FSUSQEVWYOBGKR-UHFFFAOYSA-N	310.379	1.920	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc(COC)cc1	774616199	XQPXWRCTYAAMJT-SNVBAGLBSA-N	300.380	1.189	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H](C)CSC)cn1	874953474	CVXPQFKWKPZCLF-QMMMGPOBSA-N	314.436	1.407	50	20	DDGD	
Cc1cc(C(=O)NNc2ncc(F)cn2)nc(C(F)(F)F)n1	779036607	PEPHSPCGWJECJK-UHFFFAOYSA-N	316.218	1.490	50	20	DDGD	
CN(NC(=O)C(=O)Nc1ccc(Cl)cn1)c1ccccc1	773645874	OLWOZFKJCRLDRA-UHFFFAOYSA-N	304.737	1.841	50	20	DDGD	
COc1ccc(-c2cc(C(=O)NNC(=O)C3CC3)no2)cc1	877941464	GSUWAETYZWVCRO-UHFFFAOYSA-N	301.302	1.521	50	20	DDGD	
CC(C[C@@H](C)CC(C)C)=NNC(=O)[C@H]1CCS(=O)(=O)C1	779769245	SVGNDCFNJKOCMR-AAEUAGOBSA-N	302.440	1.986	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cc2ccccc2nc1Cl	779821031	LDJRUUGGOGLZMI-UHFFFAOYSA-N	320.736	1.694	50	20	DDGD	
COCCCNC(=O)NN=C1CCCOc2c(OC)cccc21	872345245	OKAJDWKHVRRWPW-UHFFFAOYSA-N	321.377	1.908	50	20	DDGD	
CC1=CCC[C@H](C)[C@H]1C=NNC(=O)N[C@H]1CCS(=O)(=O)C1	773200175	HIQLOAVEJLJECS-AVGNSLFASA-N	313.423	1.451	50	20	DDGD	
COC1(C)CCN(CC(=O)NNC(=O)c2cccc(C)c2)CC1	775557904	JYTJCDOEXXALAM-UHFFFAOYSA-N	319.405	1.257	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@H]2CCN(c3ccccn3)C2)n1	875419983	NGIIQMWXKIIIRA-ZDUSSCGKSA-N	312.377	1.690	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C(C)CCn1cccn1	776759610	TYNCDXGOJMUJEX-UHFFFAOYSA-N	316.361	1.853	50	20	DDGD	
O=C(CCCN1C(=O)CCC1=O)NNc1ccc(F)c(F)c1	885111214	WEUVQZBYQHNSED-UHFFFAOYSA-N	311.288	1.337	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)N[C@@H]1CC[C@H]2CCC[C@H]2C1	883466066	FHKCQNRPYZWXGK-GRYCIOLGSA-N	303.366	1.389	50	20	DDGD	
COC(=O)c1cc(C(C)(C)NS(=O)(=O)CCCCl)no1	882204502	SEQIQIGHLAQJGO-UHFFFAOYSA-N	324.786	1.245	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)c2ccc(C)o2)c(C)nc1C	777158225	BCHRLIADRUSRGK-UHFFFAOYSA-N	315.329	1.877	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc2c1CCC2	772046414	VMESAOXGGZYFGO-JTQLQIEISA-N	304.346	1.278	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@@H]1COC2(CCCCC2)O1	882044921	VPCMBCMOBODBRR-LLVKDONJSA-N	311.831	1.611	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@H](F)Cc1ccccc1	777970843	BPXLLYMUFJNGMF-SECBINFHSA-N	307.247	1.460	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	1120734848	PHXVGNCYLCEUCI-ZIAGYGMSSA-N	320.393	1.720	50	20	DDGD	
O=C1CC[C@]2(C(=O)NNc3cc(F)ccc3F)SCCN12	885146071	LKCRWCKRIFXTSR-CYBMUJFWSA-N	313.329	1.473	50	20	DDGD	
CC1(C)CC[C@@H](C(=O)NNC(=O)COc2ccc(C#N)cc2)C1	781575341	NAMQPVJJHPXREJ-CYBMUJFWSA-N	315.373	1.911	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1cccnn1)Cc1cccs1	883458933	BQICPQAYIUAHTK-SNVBAGLBSA-N	319.390	1.361	50	20	DDGD	
N#CCC1CCN(C(=O)NNC(=O)c2cccc(C#N)c2)CC1	781802194	UBNNYSCUEXIACP-UHFFFAOYSA-N	311.345	1.538	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNc1ccc(C)c(C(=O)OC)c1	880079560	XVHHZPQGHDKZBD-CYBMUJFWSA-N	307.350	1.139	50	20	DDGD	
CCCSc1nsc(NC(=O)NNC(=O)C(C)C)n1	782588263	HKNQDCNNCKLTSC-UHFFFAOYSA-N	303.413	1.849	50	20	DDGD	
NC(=O)N1CCC[C@@H](CNC(=O)C2CCC(Cl)CC2)C1	1123880388	OTZBFMRUIWAADW-UNXYVOJBSA-N	301.818	1.691	50	20	DDGD	
CCSCCC=NNC(=O)C1CCN(c2ncccn2)CC1	781121404	AHCFTAIFOCHEAL-UHFFFAOYSA-N	321.450	1.938	50	20	DDGD	
NC(=O)CCCC(=O)NNC(=O)Cc1cccc2ccccc12	786795729	IRDDPICFKSDSLA-UHFFFAOYSA-N	313.357	1.185	50	20	DDGD	
C[C@@H]1CCCC(=NNC(=O)Cc2cc(O)nc(S)n2)[C@@H]1C	781124089	UYQRGKSCJRNJKJ-RKDXNWHRSA-N	308.407	1.942	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12	1120008511	TWTBPVJTAQFAPK-HWPZZCPQSA-N	301.346	1.090	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)ccn1	789872158	XXFSJVQWISSSQI-LLVKDONJSA-N	317.320	1.758	50	20	DDGD	
Cc1ccc([C@@H](C)[C@@H](O)C(=O)NNC(=S)NC(C)(C)C)cc1	899996477	MWEFUWGXCKKZHR-DGCLKSJQSA-N	323.462	1.753	50	20	DDGD	
C[C@H]1CCc2[nH]nc(C(=O)NNc3ccc(Cl)nn3)c2C1	896439655	SSOSAVIRBPWXEP-ZETCQYMHSA-N	306.757	1.735	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC(NC(N)=O)CC1	781093775	NNIKZDCATRKYAX-SECBINFHSA-N	320.231	1.455	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NN=Cc1cnc(N)nc1	781587362	XVBDUTNLXBWVQX-UHFFFAOYSA-N	305.725	1.485	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21	894371507	GATPOBHTOXPTNO-AIDNBVJZSA-N	314.385	1.764	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C[C@@H]1CCO[C@H](C(C)C)C1	781972070	OVWBGEDUOQXIEE-YPMHNXCESA-N	308.382	1.320	50	20	DDGD	
Cc1cc(NNC(=O)c2cc([C@@H]3CCCN3C)[nH]n2)ncn1	896382271	GZQZJXRJLVBNAF-LBPRGKRZSA-N	301.354	1.032	50	20	DDGD	
Cc1c[nH]cc1C(=O)NNc1nnc(-c2ccccn2)s1	788567024	UAYRBRBACGYEOW-UHFFFAOYSA-N	300.347	1.994	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H](c2cccnc2)C(C)C)n1	797826292	ODWGVNQYJGNMBV-ZDUSSCGKSA-N	301.350	1.763	50	20	DDGD	
CNc1nnc(CC(=O)NNC(=O)Nc2ccccc2C)s1	798312115	UOGIKOMKUNFNCC-UHFFFAOYSA-N	320.378	1.284	50	20	DDGD	
C=CCC1(C(=O)OCC(=O)NNC(=O)c2ccccc2)CCC1	791564635	UWSWURMTEDYIBJ-UHFFFAOYSA-N	316.357	1.737	50	20	DDGD	
N#Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2)s1	797814653	AKFAVBGAUWYTPH-UHFFFAOYSA-N	307.356	1.243	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(F)n1	793029003	NMNVGZVPBWLUJU-UHFFFAOYSA-N	319.252	1.211	50	20	DDGD	
CC(C)NC(=O)NC1(C(=O)NNC(=O)C2CCC2)CCCCC1	792163233	BJZWIZMBBJWGBQ-UHFFFAOYSA-N	324.425	1.344	50	20	DDGD	
CC[C@H]1CCC[C@H]1NCC(=O)NNC(=O)c1ccc(C)cc1	794575367	GFJLRRZLJOHPCU-DZGCQCFKSA-N	303.406	1.924	50	20	DDGD	
CC1=C(C(=O)NNc2nc(-c3ccncc3)no2)SCCO1	798167569	NHOBVZJLDCIGTE-UHFFFAOYSA-N	319.346	1.570	50	20	DDGD	
COCC[C@H](C)CNC(=O)NNC(=O)c1ccccc1Cl	1325231412	NSUHVSLKQYCWSV-JTQLQIEISA-N	313.785	1.957	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1ccco1)c1n[nH]c2c1CCCC2	1329627961	HFHMDRBZEGUGSG-GHMZBOCLSA-N	314.345	1.446	50	20	DDGD	
C[C@H]1CSCCN(CC(=O)NNC(=O)c2cccs2)C1	753836638	ASPDDOABMBRAQE-SNVBAGLBSA-N	313.448	1.194	50	20	DDGD	
Nc1cnnc(NNC(=O)N[C@@H](C2CC2)C(F)(F)F)c1Cl	1323429963	WEIYHLAHHYEFGO-ZETCQYMHSA-N	324.694	1.679	50	20	DDGD	
Cc1cc(F)ccc1CCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C	1326749423	MPGHUDQWJGEPPV-FZMZJTMJSA-N	323.368	1.432	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCCC1CCOCC1	1321838682	BHSLWZJGZIENNQ-UHFFFAOYSA-N	323.368	1.515	50	20	DDGD	
COc1cc(Cl)cc(C=NNC(=O)C2CCOCC2)c1O	1330904300	XGEDCDRZCSGYBE-UHFFFAOYSA-N	312.753	1.931	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=Cc1cccc2cn[nH]c12	1252511682	WTQKZWOTHIBRRG-UHFFFAOYSA-N	318.340	1.903	50	20	DDGD	
CN(C)[C@H]1CCCC(=NNC(=O)c2n[nH]c3c2CCCC3)C1	1339452874	HCXHENOBJCXROK-LBPRGKRZSA-N	303.410	1.879	50	20	DDGD	
CCN(CC)C[C@H](C)NC(=O)NNC(=O)c1ccc(OC)cc1	1251293505	ZFCKEXHNWLWDHY-LBPRGKRZSA-N	322.409	1.370	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NNc1ccncn1	1261842365	VBRMZMIOJMMQTA-JBLDHEPKSA-N	319.365	1.175	50	20	DDGD	
Nc1cnnc(NNC(=O)N[C@@H]2CCCC[C@H]2F)c1Cl	1348481711	HEACDCCCPOQCIE-HTRCEHHLSA-N	302.741	1.619	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)N[C@H]1CCC[C@@H](F)C1	1349077133	QZIRFCGHBNJWHS-NEPJUHHUSA-N	311.332	1.979	50	20	DDGD	
C=CCCn1cc(C(=O)NNc2ccc(C(C)(C)C)nn2)nn1	1261439742	UYBAMSJKDYCFCL-UHFFFAOYSA-N	315.381	1.699	50	20	DDGD	
CN1C[C@@H](C(=O)NNc2ccccc2Br)CC1=O	153573929	FUWIQEQQJXJPNR-QMMMGPOBSA-N	312.167	1.371	50	20	DDGD	
Cn1nncc1CNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	1514922025	XDDWZCHDCWFFAF-MKPLZMMCSA-N	313.199	1.385	50	20	DDGD	
O=C(/C=C\c1cc(C(=O)O)co1)NNC(=O)NC1CCCC1	1601233549	MHOMLORLCFFLSB-WAYWQWQTSA-N	307.306	1.264	50	20	DDGD	
Cc1c(NNC(=O)NCc2nccn2C)cccc1C(=O)O	1600053759	SAQYNVWZPSMGIW-UHFFFAOYSA-N	303.322	1.253	50	20	DDGD	
CCC(CC)(C(=O)O)C(=O)NNc1ccc(CC(=O)OC)cc1	1603525992	OXZMQAIDAGSRBC-UHFFFAOYSA-N	322.361	1.736	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2ccc(F)c(C(=O)O)c2)CCN1	1604678032	ZDTJJRQVGZWQLP-RKDXNWHRSA-N	310.329	1.291	50	20	DDGD	
O=C(CNC(=O)c1ccsc1)NNc1ccccc1C(=O)O	1608340871	QTEIMFZIOFMHGD-UHFFFAOYSA-N	319.342	1.319	50	20	DDGD	
O=C(O)CCc1ccc(NC(=O)NNc2cnccn2)cc1	1610778503	JLDKTFNYZLXSGT-UHFFFAOYSA-N	301.306	1.642	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@H]2CCCO[C@H]2c2nccn2C)CO1	1549318514	YGTIBKDZWUKUKQ-KGYLQXTDSA-N	306.366	1.169	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@@H]2C=NNC(=O)[C@H]2CCCCO2)cn1	1552452840	HHBMRUURKRPDQW-BPLDGKMQSA-N	320.393	1.652	50	20	DDGD	
C[C@@H]1COCC1=NNC(=O)[C@H]1CCCO[C@@H]1c1nccn1C	1550191787	HSXGXBFPPOUOIU-MDZLAQPJSA-N	306.366	1.026	50	20	DDGD	
CCCCCOc1ccc(C(=O)NNC(=O)NCCN)cc1	1577435153	REFHWOTZPPYBIH-UHFFFAOYSA-N	308.382	1.158	50	20	DDGD	
O=C(/C=C/c1cncc(F)c1)NNc1ncccc1C(=O)O	1574515629	MMVGXFICPBIBED-ONEGZZNKSA-N	302.265	1.470	50	20	DDGD	
COCCN(CC(C)C)NC(=O)[C@@H]1NCC[C@@H]2CCCC[C@H]21	1579026320	POBWGIBKEJAOCP-ARFHVFGLSA-N	311.470	1.790	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)OCC(F)(F)F)C1CCNCC1	1575927394	XBGKSEPXWTWBNY-QMMMGPOBSA-N	311.304	1.332	50	20	DDGD	
N[C@H](Cc1ccccc1)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	1574263859	HENLROBHMIJGKB-GFCCVEGCSA-N	318.308	1.747	50	20	DDGD	
N[C@@H]1C[C@H]2C[C@@]2(C(=O)NNC(=S)Nc2cccc(Cl)c2)C1	1580404873	FXVGAWFGZGLUJK-LLHLLMPMSA-N	324.837	1.785	50	20	DDGD	
C=C(CBr)CN1CCN(CCC(=O)O)C[C@H]1C	1588606309	WHAXASSIMFCQNR-LLVKDONJSA-N	305.216	1.418	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)c2cc(F)c[nH]2)C1	1846221971	SSTOSARYLAGRBJ-JTQLQIEISA-N	317.723	1.505	50	20	DDGD	
C[C@H](CNC(=O)NNc1ccc(C(=O)O)cc1F)N(C)C1CC1	1592676810	ZINOJPXDLVABPE-SECBINFHSA-N	324.356	1.633	50	20	DDGD	
COc1cccnc1NC(=O)NNc1ccc(CC(=O)O)cc1	1599720415	PYWLLYNUMMPEFG-UHFFFAOYSA-N	316.317	1.866	50	20	DDGD	
O=C(NNC(=O)c1cccs1)c1cccc(-c2nn[nH]n2)c1	1593158952	NSJYAKKAGZYTLK-UHFFFAOYSA-N	314.330	1.003	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H]2CC[C@H]2C(=O)O)cc1	1597081512	KTJRNYRNQPWFKC-PVBRJXJSSA-N	314.341	1.972	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1ccc(NC2CC2)nc1	1594781419	OBDNIHUZNUKBBK-UHFFFAOYSA-N	313.317	1.506	50	20	DDGD	
C[C@H]1CC(=NNC(=O)COc2ccccc2-c2nn[nH]n2)[C@@H]1C	1590181240	NCJIZKRMHUXAHW-VHSXEESVSA-N	314.349	1.394	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC[C@@H](C(=O)O)C1)c1cc2ccccc2o1	1594783325	ZTMFSTKMEYBSRK-WDEREUQCSA-N	316.313	1.695	50	20	DDGD	
CC(C)n1nccc1C=NNC(=O)c1cccc(C(=O)O)c1	1776095524	DFSVPNYVRJKHEV-UHFFFAOYSA-N	300.318	1.926	50	20	DDGD	
CCC(=NNC(=O)c1cnsn1)c1ccc(C(=O)O)cc1	1776104833	AMDMJBOSQOBIPI-UHFFFAOYSA-N	304.331	1.780	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@H]1CCC[C@H](C(=O)O)C1	1776293739	FIWZIRQSIJMCIU-UWVGGRQHSA-N	311.831	1.814	50	20	DDGD	
C/C=C/C(=O)N1CCO[C@@]2(CCN(C(=O)C(Cl)Cl)C2)C1	1783949842	LWKKLUVDKUWHJL-IBUXWKBASA-N	321.204	1.196	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cnnc2)cc1	150880340	JBRBHISWXXVZKJ-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)CS(=O)(=O)C1CCCC1	160918488	KTLNWPPKQVSECX-UHFFFAOYSA-N	314.382	1.935	50	20	DDGD	
COCCC1(CNC(=O)NNC(=O)Cc2ccccc2F)CC1	151577913	MDVXDWJAWCVYPE-UHFFFAOYSA-N	323.368	1.515	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)[nH]n1	153195635	IYEWXGMBCHIJNF-GHMZBOCLSA-N	320.299	1.561	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)cc(C#N)n1C	155599683	YDWYDQLNVOEXGC-NZXGKHHGSA-N	310.357	1.548	50	20	DDGD	
CC(C)(C)c1ncsc1C(=O)NNc1ccc(C(N)=O)nn1	154298094	RTXCFRMUESVRGQ-UHFFFAOYSA-N	320.378	1.086	50	20	DDGD	
COc1ccc([C@H](O)CNS(=O)(=O)CCCCCl)cc1	154313761	FEOLXMLMRZBNNF-CYBMUJFWSA-N	321.826	1.667	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc3c(c2)[nH]c(=O)n3C)nc1	159102866	ZKHNXNNEHZEEMR-UHFFFAOYSA-N	313.317	1.027	50	20	DDGD	
COc1ccc(NNC(=O)CCC(=O)NC2CCCC2)nc1	159491873	YNWNGZQWIOSLIT-UHFFFAOYSA-N	306.366	1.372	50	20	DDGD	
O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cccnc1	2573568	BQPDVXJIGKFJKH-UHFFFAOYSA-N	320.692	1.718	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cc(F)cc2cccnc12	119338805	CWSDIFYYWNPVQG-UHFFFAOYSA-N	324.315	1.773	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)c2cscn2)cc1	105509915	HICJFHLYOLFGHJ-UHFFFAOYSA-N	321.431	1.841	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1csc(C2CC2)n1	173963857	WRHUCMJTCKRYCL-UHFFFAOYSA-N	301.335	1.444	50	20	DDGD	
CCOC(=O)CC(=O)NNC(=O)c1cc2c(s1)CCCCC2	171322048	XUMSJPITGHGIDC-UHFFFAOYSA-N	324.402	1.731	50	20	DDGD	
N#CC1(C(=O)NNC(=O)Cc2ccc(Cl)cc2)CCOCC1	109138350	COHPZVDIDQUULI-UHFFFAOYSA-N	321.764	1.350	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNC(=O)Cc2ccncc2)s1	175798021	MNDVPMREVOSCPY-UHFFFAOYSA-N	318.402	1.839	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cccc(Cl)c2Cl)cn1	117680970	JCELYABLRCVVFE-UHFFFAOYSA-N	313.144	1.802	50	20	DDGD	
C[C@@H](OCC1CC1)C(=O)NNC(=O)c1cn(C)c2ccccc12	64722179	JPJWFKOHNMWJKC-LLVKDONJSA-N	315.373	1.754	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CC[C@@H]2CC[C@H](C)O2)cc1	175141056	YDVMBLRGUURASF-ZFWWWQNUSA-N	319.405	1.902	50	20	DDGD	
CC(C)(C)n1cc(C#N)cc1NC(=O)NNC(=O)c1ccc[nH]1	171141559	NDNLLPFJKNXPEO-UHFFFAOYSA-N	314.349	1.909	50	20	DDGD	
O=C(CCCOCCc1ccccc1)NNC(=O)NCC1CC1	65191823	NAETVHDQOXOURC-UHFFFAOYSA-N	319.405	1.766	50	20	DDGD	
CN(C)N(C(=O)C1CCCCCCC1)[C@@H]1CCS(=O)(=O)C1	172723218	SSLZEBWPPIYOQR-CQSZACIVSA-N	316.467	1.839	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)NC1CCOCC1	170922500	LDVAHFYEMWGOHH-UHFFFAOYSA-N	316.361	1.151	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1csc(-c2cccnc2)n1	65190577	SWWMDFOPJAHVNY-UHFFFAOYSA-N	305.363	1.098	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C1[C@H]2CCC[C@H]12	177603551	MRYIRHQFCBVGSC-DCAQKATOSA-N	306.337	1.787	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CCC2	180966906	BJZODEFUCOWNDG-UHFFFAOYSA-N	303.362	1.307	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@H](C)c2nccs2)n1	184272572	FJZZDVYJLYPGAB-QMMMGPOBSA-N	306.395	1.980	50	20	DDGD	
CO[C@H](C)CCC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	180808481	UODZLQUDFCVYFH-GHMZBOCLSA-N	312.341	1.556	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CCCc1ccccc1)n1cccn1	77345240	WWWGYFPLTXVLGQ-CYBMUJFWSA-N	300.362	1.614	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNC(=O)c1ccc2c(c1)OCCO2	188951146	PKRMNFPIZQNNMW-UHFFFAOYSA-N	315.329	1.180	50	20	DDGD	
Cn1ncnc1NC(=O)NNC(=O)c1cccc2ccccc12	183334943	IXUHYZSPTVFZHX-UHFFFAOYSA-N	310.317	1.435	50	20	DDGD	
O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)NNC(=O)C1CC1	74115342	PBVQYZVXGQSCIB-XCVCLJGOSA-N	313.357	1.149	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Nc2cccc(-n3cccc3)c2)cn1	184820289	ZGTGPXBCWGGCNI-UHFFFAOYSA-N	324.344	1.677	50	20	DDGD	
Cc1cccc(C)c1CNC(=O)NNC(=O)Cc1cccnc1	120679251	BFGICAKLIDQOBG-UHFFFAOYSA-N	312.373	1.772	50	20	DDGD	
COc1cccc(NNC(=O)NCc2cc(C#N)ccc2F)n1	181359471	SUNQETQEVGSJBO-UHFFFAOYSA-N	315.308	1.927	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)NCCC2CC2)cc1C	74819975	QYFFVSZBOIEREQ-UHFFFAOYSA-N	318.377	1.372	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@H](C)CC2CCCC2)n1	74686616	KPRLYZBEIKILQN-LLVKDONJSA-N	306.410	1.864	50	20	DDGD	
Cc1ccccc1NC(=O)C(=O)NNc1cccc([N+](=O)[O-])c1	181488476	JZYJTYKDYBVCDS-UHFFFAOYSA-N	314.301	1.985	50	20	DDGD	
CCN1CCO[C@H](C(=O)NNc2ccc(C(F)(F)F)cn2)C1	132093906	CFEAZHSZGUCREM-JTQLQIEISA-N	318.299	1.264	50	20	DDGD	
O=C(NNC(=O)c1ccncc1F)c1ccc2ccccc2n1	130546881	QKOOATASQSDEOF-UHFFFAOYSA-N	310.288	1.844	50	20	DDGD	
CCCC(=O)N1CCC[C@@H]1C(=O)NNc1nc(C)cc(C)n1	194318727	DPZHLARTIZFDNY-GFCCVEGCSA-N	305.382	1.328	50	20	DDGD	
CCCCN(CC)c1ccc(C(=O)NNC(=O)C(C)(C)O)cc1	192922477	WAUBHTDBNVDZBR-UHFFFAOYSA-N	321.421	1.845	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1ncnc2ccsc12)C(C)C	132705562	ZNRNBNYCCVBUMD-JTQLQIEISA-N	307.379	1.295	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNC(=O)c1ccncc1	132617374	JGUNGUIWCRCSDA-UHFFFAOYSA-N	302.334	1.198	50	20	DDGD	
O=C(CCCNC(=O)C1CC1)NNc1ncnc2ccsc12	132962910	QAGFTGIVPRBKEY-UHFFFAOYSA-N	319.390	1.441	50	20	DDGD	
CC(C)(C)CC(=O)NCC(=O)NNC(=O)NC1CCCCC1	194436471	UXTWSWOODUWAEZ-UHFFFAOYSA-N	312.414	1.202	50	20	DDGD	
C[C@H](C(=O)NNc1ccccc1[N+](=O)[O-])N(C)CC(F)(F)F	192209222	QYIOOMRKVDBNBR-MRVPVSSYSA-N	320.271	1.921	50	20	DDGD	
CCC(C)(C)CNC(=O)NNC(=O)COc1ccc(C#N)cc1	190754832	ZSZUQORKHFBTHF-UHFFFAOYSA-N	318.377	1.704	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNC(=O)c2cccn2C)ccc1F	97029822	LQYKJWKZEOPVNI-UHFFFAOYSA-N	318.308	1.197	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(C(C)C)[nH]n1	94120825	HFROHZQXELFHBV-UHFFFAOYSA-N	301.441	1.005	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNC(=O)c1cc2ccccc2o1	92497356	UCJIVDRPOALWLT-UHFFFAOYSA-N	312.329	1.804	50	20	DDGD	
CC(CCc1ccc2c(c1)OCO2)=NNC(=O)c1cnccn1	254392538	PLXMWWLWCAHEQK-UHFFFAOYSA-N	312.329	1.944	50	20	DDGD	
COc1ccc(C(=O)CCC(=O)NNC(=O)C2CCC2)cc1F	267570792	IUKFAKWCHGFJDM-UHFFFAOYSA-N	322.336	1.745	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C(F)(F)C(F)F	267231383	ZIYLVWVAUWQTED-UHFFFAOYSA-N	324.230	1.122	50	20	DDGD	
COc1cc(OC)c(C(=O)NNC(=O)CC(C)(C)C)cc1OC	264015111	HCZGCGXEJRNBSY-UHFFFAOYSA-N	324.377	1.910	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)CSc1ccccc1	265911859	YWQKSYYAHPQZBK-UHFFFAOYSA-N	323.418	1.231	50	20	DDGD	
CC(C)CCC(=O)NNS(=O)(=O)c1csc(C(=O)O)c1	263829608	ALHYQESXCFYGIW-UHFFFAOYSA-N	320.392	1.192	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccccc1C)N1CCCC1=O	266633030	VQFFTVUDQGJPRC-CYBMUJFWSA-N	303.362	1.157	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1nc(-c2ccccc2)no1	263972502	WDAZYYCDLJFBOK-UHFFFAOYSA-N	319.321	1.316	50	20	DDGD	
CN(C)c1ccc(CNC(=O)NNC(=O)C2CCC2)cc1F	264749985	JVWHJQGMHIVRMM-UHFFFAOYSA-N	308.357	1.522	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C(C)=O)cc1	274106039	YDLUICRBPVIMTL-SECBINFHSA-N	305.334	1.021	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCC[C@H]2CCO[C@H](C)C2)n1	273154627	YJXHUNJCFZHTKZ-OLZOCXBDSA-N	307.398	1.925	50	20	DDGD	
CN(NC(=O)C(C)(C)NC(=O)C(F)(F)F)c1ccccc1	277390234	XIXCXFVJPLJWKF-UHFFFAOYSA-N	303.284	1.611	50	20	DDGD	
O=C(C[C@H](O)c1cccc(F)c1)NNC(=O)NC1CCCC1	271841294	UJVHQMPKKVSUKS-ZDUSSCGKSA-N	309.341	1.522	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NCCOC(C)C)cc1	273526200	RSXMRZRULHCTNB-UHFFFAOYSA-N	323.393	1.383	50	20	DDGD	
COC(=O)NNC(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1	277771892	LFLYXPDTNHICFY-LBPRGKRZSA-N	321.333	1.032	50	20	DDGD	
COc1cc(CC(=O)NNc2cc(C)ccn2)cc(OC)c1O	279277611	LDYVBQXXVBMEDW-UHFFFAOYSA-N	317.345	1.799	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc2[nH]ccc2c1	273404486	OCSGURWDGSQQHS-JTQLQIEISA-N	320.349	1.372	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H]2CCO[C@H](C(C)C)C2)n1	280254570	KVOXJAQQQDOOQO-JSGCOSHPSA-N	320.393	1.538	50	20	DDGD	
C[C@H](CC(=O)NNc1ncccc1F)NC(=O)C1CCCC1	285805291	ARZKTDSEIOGTKJ-SNVBAGLBSA-N	308.357	1.749	50	20	DDGD	
COCCN(C)NC(=O)C1CCN(Cc2ccccc2)CC1	288330038	DUQXXVBRICUYAU-UHFFFAOYSA-N	305.422	1.508	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1cc2n(n1)CCCC2	287281432	IBZIARBTEGSUCE-UHFFFAOYSA-N	300.322	1.081	50	20	DDGD	
COc1cc(NNC(=O)C[C@H]2CCCC(=O)N2)ccc1Cl	377863212	DHLJLGRGCKKLFG-SECBINFHSA-N	311.769	1.851	50	20	DDGD	
C[C@H]1COCC[C@@H]1CNC(=O)NNC(=O)c1ccccc1F	288899776	ZUAFDDCFABKUCN-WDEREUQCSA-N	309.341	1.442	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CC1CC1)[C@H]1OCCc2sccc21	294005652	AYQACAYZYJMBGA-YMTOWFKASA-N	308.403	1.946	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2ccc(C)s2)CCOCC1	290202693	RMYVRJZRVFGKBY-UHFFFAOYSA-N	312.391	1.261	50	20	DDGD	
CCOCCCC(=O)NNC(=O)c1ccc(Cl)cc1O	298922164	GICOOUBLPFHFJT-UHFFFAOYSA-N	300.742	1.623	50	20	DDGD	
CC(C)[C@H](NC(=O)NNc1ccc(F)cn1)c1nncn1C	805766997	RKUNFIAKIWRNGF-NSHDSACASA-N	307.333	1.373	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2ocnc2C2CC2)c1	807948668	POUMTNJCNKNLPT-UHFFFAOYSA-N	314.345	1.693	50	20	DDGD	
CN(NC(=O)c1cnn(-c2ccccc2)n1)C(=O)OC(C)(C)C	297750457	SKQNRTQZLYRPBX-UHFFFAOYSA-N	317.349	1.779	50	20	DDGD	
CCCN(CC)C[C@@H](C)NC(=O)NNC(=O)c1cccc(C)n1	292617596	UNXLPCCKXXQBTJ-CYBMUJFWSA-N	321.425	1.454	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](CO)C2CCCC2)s1	290925404	YCGUWARXVYZHTA-NSHDSACASA-N	311.407	1.552	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N[C@@H]1CCC1(C)C	804867323	PMWKROPYUSQJAO-LLVKDONJSA-N	315.377	1.775	50	20	DDGD	
Cc1cc(=NC(=O)NNC(=O)c2ccccn2)c2ccccc2[nH]1	809887583	IFVFALANPGFKTE-UHFFFAOYSA-N	321.340	1.827	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)O1	802101305	JQVDCCPVENMJDL-CMPLNLGQSA-N	321.333	1.526	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1[C@@H](C)CCC[C@H]1C	299250179	KQRBQPIYSYWGDJ-GASCZTMLSA-N	317.433	1.948	50	20	DDGD	
CC1(C)COc2ccc(C(=O)NNC(=O)c3ccccn3)cc21	809937146	KDGTVRVJDIWMCM-UHFFFAOYSA-N	311.341	1.826	50	20	DDGD	
CCCN(CCC)CC(=O)NNC(=O)Cc1ccccc1C	297957788	UFTQFSOAJAHZLD-UHFFFAOYSA-N	305.422	1.807	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ncccc2F)c(C)n1	807301655	MTOCKSMOELKGKF-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)[C@H](F)C(F)(F)F	810384413	BPTFRADPEVLVSN-QMMMGPOBSA-N	314.260	1.434	50	20	DDGD	
C[C@H]1C(=NNC(=O)C[N+](C)(C)C)CCCN1Cc1ccccc1	814694724	WLIRKPOXINARBV-HNNXBMFYSA-O	317.457	1.849	50	20	DDGD	
C#CCOc1ccc(F)cc1NC(=O)NNc1ncncc1F	814648292	PCYQXWGQHKWWNU-UHFFFAOYSA-N	319.271	1.915	50	20	DDGD	
COc1cccc2c(C(=O)NNc3ncncc3F)n[nH]c12	817082096	MHJHIINPPSGAMF-UHFFFAOYSA-N	302.269	1.258	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H]1CCc2cnc(C)n2C1	816829234	GYKBVSYZHDFAOS-ZDUSSCGKSA-N	312.373	1.524	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cncnc1-c1ccccc1	810363704	ARPVNRAHXXHZRX-UHFFFAOYSA-N	322.328	1.250	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNc1ccc(S(C)(=O)=O)cc1	812537056	YDOKRMIQROPHBY-MNOVXSKESA-N	314.407	1.452	50	20	DDGD	
C[C@@H]1Sc2ccc(C(=O)NNc3cnnn3C)cc2NC1=O	816769403	GRNDEIDSNXSSON-ZETCQYMHSA-N	318.362	1.005	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)c1nnc2ccccc2n1	810942338	FOJGEYFUYJGJAV-UHFFFAOYSA-N	300.709	1.830	50	20	DDGD	
O=C(NNc1ncncc1F)c1cnn(-c2ccccc2F)c1	817080317	JSHTVUCOTIAGAL-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
C[C@@H](Cc1ccco1)NC(=O)NNC(=O)Cc1cccnc1	728945400	RBFMVESYSROFJU-NSHDSACASA-N	302.334	1.179	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2	726075847	ICUDDNBKCSPGQD-AVGNSLFASA-N	313.467	1.687	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccc[nH]2)ccc1OCC(=O)O	725854640	LPCNMUJVKYMZKC-UHFFFAOYSA-N	317.301	1.251	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H]2CCc3cncn3C2)cc1	816821251	SBKIGJMUNVLZTR-AWEZNQCLSA-N	312.373	1.469	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCc2cc(F)ccc2C1	827281676	JIKRUJAJMCGMPH-YGRLFVJLSA-N	321.352	1.350	50	20	DDGD	
CCn1ncc(C(=O)NN(C)[C@@H](C)CO)c1-c1ccccc1	823927941	JDULRSSPHZUDLJ-LBPRGKRZSA-N	302.378	1.527	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)Nc1ccc(N(C)C)cc1)C(C)C	491011973	AMWKJUBLNZTIKP-AWEZNQCLSA-N	317.393	1.746	50	20	DDGD	
C[C@H](Cc1ccco1)NC(=O)NNC(=O)c1cccc(C#N)c1	728944808	FECGLCKXDPBPGE-LLVKDONJSA-N	312.329	1.726	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)c1	827608035	WFNFOUUQXCZKMB-BYCMXARLSA-N	316.405	1.885	50	20	DDGD	
COC(=O)N(C)CC(=O)NNc1nc2c(C)cccc2s1	828367392	NKKGJHKEWCOLFC-UHFFFAOYSA-N	308.363	1.746	50	20	DDGD	
CC(C)c1cc(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)on1	826010372	PCBGTWBIJAJBBW-MWLCHTKSSA-N	310.354	1.053	50	20	DDGD	
C=C(C)CN1CCC(NC(=O)/C(C#N)=C\c2cnn(C)c2)CC1	491107356	VAEIRGAFIKNNLX-NVNXTCNLSA-N	313.405	1.484	50	20	DDGD	
CN(CC1(O)CCCCCC1)C(=O)/C(C#N)=C\c1cnn(C)c1	491048336	KWNUYSLLWDDLMP-DHDCSXOGSA-N	316.405	1.871	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ccccn2)ccc1C(=O)O	821009210	ZWUVVKPCUQYKTG-UHFFFAOYSA-N	314.301	1.170	50	20	DDGD	
CN1CCC(C)(CNC(=O)/C(C#N)=C/c2cnn(C)c2)CC1	491160312	KVXBGUCULRYKCI-RIYZIHGNSA-N	301.394	1.175	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2COCCO2)cc1	490610063	GRUQPHCENMKUIZ-SCZPIIQISA-N	316.357	1.524	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NN=c1sc2ccccc2n1C	588532752	XONSEGCJNDAQGO-UHFFFAOYSA-N	307.375	1.513	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC1(F)F)c1cccc(OC(F)F)c1	823088957	RXAVINQRPDGTAQ-MRVPVSSYSA-N	306.215	1.704	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1ccc(OC2CC2)cc1	829775048	LXWAPAJZZIJWDO-UHFFFAOYSA-N	313.379	1.130	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2nccc-2c1)NC1CCCCC1	823646164	XTXLINVHEWRBBM-UHFFFAOYSA-N	301.350	1.791	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NOCC2CCC2)c(OC)c1	824049695	YJAGVRCLVSLHJN-UHFFFAOYSA-N	323.349	1.380	50	20	DDGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)O)nn2)c1	490727033	XCLRQHHXTQKAJC-IZZDOVSWSA-N	311.301	1.217	50	20	DDGD	
COC[C@H](C)OC(=O)/C(C#N)=C\c1cc(-c2nn[nH]n2)cs1	821682800	NXMCFAAFGGOKPR-CLJBBPMWSA-N	319.346	1.413	50	20	DDGD	
C/C=C/C=C/C(=O)NNc1ccccc1S(=O)(=O)N(C)C	492897280	RQXRFGVEIZRIDN-LJIKRCSCSA-N	309.391	1.512	50	20	DDGD	
CC[C@H]1C[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCO1	825182636	LJOADUHLJFXTHM-YPMHNXCESA-N	316.365	1.515	50	20	DDGD	
Cc1cccc2sc(NNC(=O)CCN3CCOC3=O)nc12	828362324	HKASIYSNDYBBQW-UHFFFAOYSA-N	320.374	1.890	50	20	DDGD	
O=C(N1CC[C@@H](B(O)O)C1)C1(c2cccc(Cl)c2)CCC1	585072024	GGKQJGITCUSJQR-GFCCVEGCSA-N	307.586	1.837	50	20	DDGD	
C[C@]1(C(=O)N[C@H]2c3ccccc3C[C@H]2O)C[C@@H]1Br	907067717	JBBPDXWMLKXNQB-UHXUPSOCSA-N	310.191	1.934	50	20	DDGD	
CN1CCCC[C@@H](C(=O)NNc2nccnc2C2CCC2)C1=O	822927396	KYFMMSHNEDCYJW-LBPRGKRZSA-N	317.393	1.446	50	20	DDGD	
O=C([C@@H](F)c1ccc(C(F)(F)F)cc1)N1CC[C@H](B(O)O)C1	585064207	NTIPPKPOSAYHHH-QWRGUYRKSA-N	319.063	1.791	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC[C@H]1Cc1ccccc1	827323409	KZJWQCREGZHVOG-HNNXBMFYSA-N	303.406	1.497	50	20	DDGD	
C[C@]1(C(=O)N2[C@H]3CC[C@H]2CC(=O)NC3)C[C@H]1Br	906900056	GFWFHMKEVZGYEP-UOKLYIGXSA-N	301.184	1.039	50	20	DDGD	
CN(NC(=O)CCOC[C@@H]1CCCO1)C(=O)OC(C)(C)C	497020716	WITLAIRXQZHYGM-NSHDSACASA-N	302.371	1.470	50	20	DDGD	
COc1ccnc(NNC(=O)/C(C#N)=C/c2ccc(F)cc2)n1	490811312	FHHSJXURQQPNMC-DHZHZOJOSA-N	313.292	1.675	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)COC2CCOCC2)o1	735271983	KAEGVRYLORXABH-UHFFFAOYSA-N	308.338	1.308	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)c1ccsc1	495207652	NQIVMDUAZWZFQD-UHFFFAOYSA-N	313.379	1.424	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](C)Cc2cccc(O)c2)nn1	730067397	TWSWIAHAUATODM-NSHDSACASA-N	301.350	1.748	50	20	DDGD	
CC(C)[C@@H](NC(=O)O)C(=O)NNc1cccc(C(F)(F)F)n1	736375825	QHPUYGPCKLFDIJ-SECBINFHSA-N	320.271	1.836	50	20	DDGD	
OB(O)c1ccc(CN[C@H](CCc2ccccc2)C(F)F)cc1	585049280	NZIHMXDNVWJNNN-MRXNPFEDSA-N	319.160	1.723	50	20	DDGD	
Cc1[nH]nc(C(=O)NN=c2cc[nH]c3ccccc23)c1[N+](=O)[O-]	730291120	ZSJLTBYPKBEAIH-UHFFFAOYSA-N	312.289	1.353	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCCOC[C@@H]1CCCO1	491164256	ZVQXAVVEEROOSG-DKGMDFAASA-N	316.357	1.611	50	20	DDGD	
CC[C@H](NCc1cccc(B(O)O)c1)[C@H](O)c1ccccc1F	585026233	DTORISOIUSEARU-DLBZAZTESA-N	317.169	1.107	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2ccc(C#N)cc2)C[C@@H]1Br	906458955	IBLISCJHMBODLL-GWCFXTLKSA-N	322.162	1.493	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	733776832	SZEXOOXDJXRTQT-YUSALJHKSA-N	309.391	1.189	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)c1coc(C2CCCCC2)n1	584914356	VPYGJUQJVWYUMF-UHFFFAOYSA-N	314.150	1.654	50	20	DDGD	
CCCCOCC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	736460070	KFIXDKNJXYYLPL-UHFFFAOYSA-N	323.357	1.238	50	20	DDGD	
OB(O)c1ccc(CNc2cc3c(cc2Cl)OCCCO3)o1	585035807	YEXCZBPPWVEEET-UHFFFAOYSA-N	323.541	1.386	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCCO1)C(=O)NNc1ccc(C(=O)O)cn1	833535444	JCGUEPNZOINCGP-PWSUYJOCSA-N	323.349	1.197	50	20	DDGD	
O=C(COc1ccccc1F)NN=Cc1cnc2n1CCOC2	905421804	DVXRIAQFSDYKGN-UHFFFAOYSA-N	318.308	1.082	50	20	DDGD	
CCO[C@@H]1C[C@@H](NCc2ccc(B(O)O)cc2)C12CCCC2	585026434	GYWDHEOEQYDVSU-HZPDHXFCSA-N	303.211	1.194	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)c(F)c1	837206116	IVKQRGFNSKFXRC-VYUIOLGVSA-N	310.325	1.869	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CCCCN(C)C)ccc1F	837038719	XHEFEZUMACVAAX-UHFFFAOYSA-N	311.357	1.787	50	20	DDGD	
COc1cc(CN2CC[C@H](B(O)O)C2)c(SC)cc1OC	585077863	XHDQDQRWANQEEY-NSHDSACASA-N	311.212	1.474	50	20	DDGD	
O=C(NN=Cc1ccc(O)c(O)c1O)c1ccc2c(c1)OCO2	916289187	DXVAWVXLFYPWSJ-UHFFFAOYSA-N	316.269	1.296	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2)c1ccc(Cl)cc1O	839555610	PHEDRAUATFYYIN-XROYCOCOSA-N	322.748	1.422	50	20	DDGD	
CCOc1cc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)ccc1C	831422560	ZWQBNSCNADLNKN-YPMHNXCESA-N	321.377	1.971	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCOC[C@@H]2CCCO2)c(O)c1	918339914	WSHUAZMAADKWJJ-LBPRGKRZSA-N	322.361	1.047	50	20	DDGD	
C[C@]1(C(=O)NNc2ccc(C(N)=O)nn2)C[C@@H]1c1ccccc1	839700476	IOLBVBZXOJHCSO-BZNIZROVSA-N	311.345	1.212	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNC(=O)C2CCC2)c(F)c1	839514974	LWKFZUPWTCCQIR-UHFFFAOYSA-N	323.324	1.110	50	20	DDGD	
CCOCC(=O)NNC(=S)N[C@@H]1CCOc2ccccc21	741494563	ZITRPELOVMDYAB-LLVKDONJSA-N	309.391	1.042	50	20	DDGD	
CC(C)C(=O)NNC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1	740738483	IRFGPVLDJSKQCJ-OAHLLOKOSA-N	319.405	1.081	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cccc3c2OCCO3)n1	740102878	HGJXMGQYSBOBDD-UHFFFAOYSA-N	315.333	1.071	50	20	DDGD	
Cc1nn(C(C)C)cc1C(=O)NNC(=O)Cc1ccncc1	846906067	NRWPHOYNJHFAIN-UHFFFAOYSA-N	301.350	1.171	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@H]2CCC[C@@H](N)C2)c(F)c1	841981153	SQRSZVKWMMLTJL-MNOVXSKESA-N	324.356	1.508	50	20	DDGD	
CNCCNC(=O)NNC(=O)c1ccc(Cl)cc1Cl	841936531	NYWVRAFVENRFAU-UHFFFAOYSA-N	305.165	1.157	50	20	DDGD	
CN1CCC[C@@H](CN(C)S(=O)(=O)CC(C)(C)CCl)C1	866793562	IXIOUKJIFPZDAA-GFCCVEGCSA-N	310.891	1.855	50	20	DDGD	
CC(=O)N[C@H](C)C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	746896556	RDWDCDRSYFASCP-SSDOTTSWSA-N	314.267	1.545	50	20	DDGD	
COc1cccc(C=NNC(=O)[C@@H](C)CN2CCCCC2)c1O	916364556	PFMGZGXMLWGWOZ-ZDUSSCGKSA-N	319.405	1.973	50	20	DDGD	
O=C(NNC(=O)C1CCN(c2cnccn2)CC1)C1CCCC1	914844235	QLSFMWHEPPJQEK-UHFFFAOYSA-N	317.393	1.031	50	20	DDGD	
O=C(Cn1nc2n(c1=O)CCCC2)NNc1ccc(Cl)cc1	846640777	VRFIXTTWSOLLMA-UHFFFAOYSA-N	321.768	1.178	50	20	DDGD	
CO[C@@H](C=NNC(=O)Nc1ccc(C(=O)O)cc1)[C@@H]1CCOC1	841626119	OAUWGRHBRIQWCR-YPMHNXCESA-N	321.333	1.544	50	20	DDGD	
CC(=NNC(=O)Cc1ccncc1)c1ccc(-n2cnnn2)cc1	747646563	UCLAYCSSUACVSH-UHFFFAOYSA-N	321.344	1.140	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)[C@@H]2CCO[C@H]2C)sc1C	842590311	NYSMXBSTHBXGIK-WCBMZHEXSA-N	318.420	1.099	50	20	DDGD	
C[C@@H](CN)CNC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	841963905	XBTXVHYOXXFZFM-ZJUUUORDSA-N	324.450	1.412	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CC(F)(F)F)n1cnc2ccccc21	918366305	MEXYESIYABLHQZ-MRVPVSSYSA-N	314.267	1.697	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	749998449	SJOXCPWLJRQMEE-UHFFFAOYSA-N	321.340	1.651	50	20	DDGD	
CCC(C)(C)N1CCN(C(=O)NNC(=O)C2CCCC2)CC1	848659009	DSQJMWZHEIRICA-UHFFFAOYSA-N	310.442	1.724	50	20	DDGD	
CCC[C@H](C)[C@H]1CCCN1C(=O)NNC(=O)c1ncccn1	841592561	RVDMVCZUGJUUSW-NWDGAFQWSA-N	305.382	1.732	50	20	DDGD	
CCSc1cc(C(=O)NNc2ccnc(N(C)C)n2)ccn1	740107953	RLPHTAJSQQVZCX-UHFFFAOYSA-N	318.406	1.807	50	20	DDGD	
COCC1(CC(=O)NNc2ncc(Br)cn2)CC1	848322593	HNOZEGZXODPNQW-UHFFFAOYSA-N	315.171	1.499	50	20	DDGD	
CC[C@H]1CN(CC(=O)NNC(=O)c2ccccc2)[C@@H](CC)CO1	844384539	BQPHGMCXISWDFD-GJZGRUSLSA-N	319.405	1.337	50	20	DDGD	
CCSCc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)no1	843660007	VHDFIECMCNKERX-WCBMZHEXSA-N	313.379	1.114	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1nc(-c2ccccc2)no1	842556066	NBOMQDLSTIEKNU-CMPLNLGQSA-N	300.318	1.612	50	20	DDGD	
CN(C)c1nccc(NNC(=O)COc2ccccc2F)n1	740103000	TVLNIZBVMFUZSL-UHFFFAOYSA-N	305.313	1.204	50	20	DDGD	
O=C(NNc1ncccn1)[C@@H](C[C@@H]1CCCO1)C(F)(F)F	845164491	ZOYBTTOUDAXBNL-DTWKUNHWSA-N	304.272	1.667	50	20	DDGD	
CSCCCSCC(=O)NNC(=O)c1ccc(C#N)cc1	840213462	GSBHWTOJOPTSDU-UHFFFAOYSA-N	323.443	1.806	50	20	DDGD	
COc1ccc(NNC(=O)Nc2cnc3c(c2)CNCC3)nc1	841321418	IWBDZFBYKGSHAD-UHFFFAOYSA-N	314.349	1.280	50	20	DDGD	
CCN1C[C@@H](NC(=O)NNc2ccc(F)cc2Cl)CC1=O	922721985	KYMRDPNCIGBTMQ-VIFPVBQESA-N	314.748	1.726	50	20	DDGD	
Cc1cnc([C@@H](C)N[C@@H](C)C(=O)NNC(=O)CC(C)C)s1	755005070	CHDGGUKURGCOON-WDEREUQCSA-N	312.439	1.684	50	20	DDGD	
O=C(CN1CC2(CCCC2)c2ccccc21)NNC(=O)C1CC1	751480263	ITCQWLQWLIAFNX-UHFFFAOYSA-N	313.401	1.876	50	20	DDGD	
Cc1cccc(C)c1C=NNC(=O)[C@H](C)CN1CCOCC1	755586076	YOBXBRLSJOQWOU-OAHLLOKOSA-N	303.406	1.722	50	20	DDGD	
C[C@]1(CNC(=O)NCC[C@H]2CCNC2)C[C@H]1Br	857103692	MMJLAVNZDMJQTO-CKYFFXLPSA-N	304.232	1.459	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1nnc(C(F)F)s1	756220912	YFIRUOQGNGLBFQ-UHFFFAOYSA-N	314.277	1.337	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NNc1cccnn1	753098606	HWWQTBIGPBQYDF-AAEUAGOBSA-N	320.397	1.140	50	20	DDGD	
CC1CC(NC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])C1	753019509	HOPNJCXNWGALAI-UHFFFAOYSA-N	322.321	1.103	50	20	DDGD	
COC1CCC(C(=O)NNC(=O)c2cccc(Cl)n2)CC1	857323566	RDJFEAUNBHEQKD-UHFFFAOYSA-N	311.769	1.701	50	20	DDGD	
CCN1C[C@@H](CNC(=O)NNc2ccc(C)c(F)c2)CC1=O	854214574	MQNPAHHLSKSTQQ-LLVKDONJSA-N	308.357	1.629	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](N(C)c2ccccc2)C1	852655554	YDDFCHUGXZSDQY-ZFWWWQNUSA-N	318.421	1.143	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNC(=O)c1cccc(Cl)n1	857324026	ADXHRLYLGUQWOB-QMMMGPOBSA-N	313.741	1.085	50	20	DDGD	
O=C(CC[C@@H]1CCCNC1)NNc1nc(-c2cccnc2)no1	857003254	UGCAKGFIGBYIBC-NSHDSACASA-N	316.365	1.355	50	20	DDGD	
CNC(=S)N(C)NC(=O)C(F)(F)c1cccc(Cl)c1	854925611	KCOIQIDPFYRCRV-UHFFFAOYSA-N	307.753	1.899	50	20	DDGD	
COC[C@@H](OC)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	854247998	LQNJFMRJOCIQHM-SNVBAGLBSA-N	321.160	1.416	50	20	DDGD	
CCC(=O)c1cc(C(=O)NNC(=O)N2CCOCC2)ccc1F	756953763	RCAKAFFPXMXNSQ-UHFFFAOYSA-N	323.324	1.105	50	20	DDGD	
CN1CCCN(CCO[Si](C)(C)C(C)(C)C)S1(=O)=O	853710911	FAGQIHUPRQZJNQ-UHFFFAOYSA-N	308.520	1.891	50	20	DDGD	
COC[C@@H](OC)C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	854781820	LGFZUJGPIFUNHF-SNVBAGLBSA-N	303.702	1.353	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc(Cn2ccnc2)cc1	920858959	DHWOBBVSEZQFLU-UHFFFAOYSA-N	313.361	1.285	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCC[C@@H](O)c1ccccc1	855007664	XLXHPSRXGLVPSZ-NWANDNLSSA-N	320.389	1.463	50	20	DDGD	
CCCn1nccc1C=NNC(=O)c1ccc2c(c1)OCCO2	853286067	HSJQDWTXIMSYEL-UHFFFAOYSA-N	314.345	1.828	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NC[C@]2(C)C[C@H]2Br)nn1	857390888	IJSWRQUCWFVUSX-SKDRFNHKSA-N	315.215	1.936	50	20	DDGD	
CCn1nccc1NC(=O)NNC(=O)CCc1ccccc1O	757903699	ZJTBZQZGWVMACK-UHFFFAOYSA-N	317.349	1.394	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccnc(N(C)C)n2)cc1F	853962218	HTYQKUMOZAHDOX-UHFFFAOYSA-N	318.356	1.816	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(C(C)(C)C)oc1C	930733113	HMKOEFOXRBFSSB-UHFFFAOYSA-N	311.382	1.866	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1Br	857732556	AWQUPWSKFWODKZ-WCABBAIRSA-N	324.240	1.101	50	20	DDGD	
CC(C)c1nn(C)cc1C(=O)NNC(=S)N[C@H](C)C1CC1	855103454	VZLRGZDQWXGACB-SECBINFHSA-N	309.439	1.451	50	20	DDGD	
C[C@H](CCN(C)C)NC(=O)NNC(=O)CCc1ccccc1	750322917	PDQHAKFXKGSEQS-CYBMUJFWSA-N	306.410	1.290	50	20	DDGD	
C[C@H]1CCCc2ncc(C(=O)NNC(=S)N[C@H](C)C3CC3)n21	855095783	OSEHGTSXRJWGCL-VHSXEESVSA-N	321.450	1.688	50	20	DDGD	
COc1cccc([C@H](OC)C(=O)NNC(=O)[C@@H]2CCCCO2)c1	854682826	HASQOCFHMJVDJM-KBPBESRZSA-N	322.361	1.099	50	20	DDGD	
Cc1cc(C=NNC(=O)CNC(=O)c2cccnc2)c(C)o1	767900129	FJYAGQKGLIEUPJ-UHFFFAOYSA-N	300.318	1.172	50	20	DDGD	
Cc1ccccc1NC(=O)C(=O)NNC(=O)CC(F)(F)F	764111349	FBSUZQSVPBSCHD-UHFFFAOYSA-N	303.240	1.033	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNc1ncc(Cl)cc1Cl	867494401	YUBARLIJHCDXDU-SECBINFHSA-N	305.165	1.746	50	20	DDGD	
COC(=O)c1cc(C(=O)NNCC(F)(F)C(F)(F)F)c[nH]1	863098724	CGMNFKNMIOGVCR-UHFFFAOYSA-N	315.198	1.233	50	20	DDGD	
COc1ccc(NNC(=O)c2cnn(C3CC3)c2)c([N+](=O)[O-])c1	860217503	HAPKMKPJZPEONA-UHFFFAOYSA-N	317.305	1.892	50	20	DDGD	
Cc1ccc([C@@H](C)[C@@H](O)C(=O)NNc2ncc(F)cn2)cc1	765221899	MXQAMPNOVXFUMH-ZWNOBZJWSA-N	304.325	1.532	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)N(C)NC(=O)OCc1ccccc1	862287004	FOOVNKHYXCZJCT-HNNXBMFYSA-N	315.373	1.384	50	20	DDGD	
CCO[C@H](CC(=O)NNC(=O)c1cccc(N(C)C)c1)C(C)C	760268641	DNEZYJLZYYQCLU-OAHLLOKOSA-N	321.421	1.965	50	20	DDGD	
C[C@H](NNC(=O)c1cccc(OCC(F)F)n1)C(F)(F)F	862317204	WONLIBMKCVIVNO-LURJTMIESA-N	313.226	1.911	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc(NC(C)=O)c1C	768546721	KUVRJFUKJQAWBH-UHFFFAOYSA-N	307.354	1.651	50	20	DDGD	
COc1ccc(C(=O)NNc2nnc(C)c(O)n2)cc1C1CC1	769865004	LGNFZDFNTCLVTB-UHFFFAOYSA-N	315.333	1.529	50	20	DDGD	
CCc1ccc(F)cc1C(=O)NNC(=O)Cn1nc(C)cc1C	864503127	BYWQUEQOZDYPLA-UHFFFAOYSA-N	318.352	1.663	50	20	DDGD	
CCCOc1ccc(NCc2ccccc2B(O)O)cc1OC	863892335	SPZKOZFZQYSXIC-UHFFFAOYSA-N	315.178	1.776	50	20	DDGD	
C[C@H](NNC(=O)c1cn(C)nc1-c1cnn(C)c1)C(F)(F)F	862317170	FGRVZXAMWUFFMG-ZETCQYMHSA-N	316.287	1.006	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@H](O)CCc2ccccc2)c1Cl	1116419685	PRYLYLPFOKBORC-LLVKDONJSA-N	321.768	1.149	50	20	DDGD	
Cc1cc(OC(C)C)ccc1NC(=O)C(=O)NNC(=O)C1CC1	763558435	PHHCFPFZVALFLV-UHFFFAOYSA-N	319.361	1.278	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)CC2CCCC2)cc1O	878578177	RITPDQXQHVZZCE-UHFFFAOYSA-N	306.362	1.671	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)Nc1cnc2c(c1)CCCC2	1118016756	JFBFMMVXSXOWDS-UHFFFAOYSA-N	317.393	1.113	50	20	DDGD	
COc1cccc(C=NNC(=O)CNC(=O)OC(C)(C)C)c1O	777900766	UAEMLXXPPPWBNQ-UHFFFAOYSA-N	323.349	1.376	50	20	DDGD	
CCOc1cc(CNC(=O)NN(C)C(=O)OC)ccc1OC	875288394	NYFJXKOUZUGDLF-UHFFFAOYSA-N	311.338	1.506	50	20	DDGD	
O=C(NC1CC1)c1ccc(C=NNC(=O)C2CCOCC2)cc1	1119361886	QSZSYKHNVPXULH-UHFFFAOYSA-N	315.373	1.456	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)NCCCC(F)F	1119618659	AHHAVZSIGVDTJX-UHFFFAOYSA-N	317.292	1.147	50	20	DDGD	
CC(C)(C)C[C@H](CO)NC(=O)NNC(=O)c1cccc(C#N)c1	778652004	VLZSRGFROQGPQG-CYBMUJFWSA-N	318.377	1.299	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cnn(C)c1-c1ccccc1	775528419	GHDDZTQVWLTFRJ-UHFFFAOYSA-N	301.350	1.441	50	20	DDGD	
COC[C@](C)(O)C(=O)NNC(=S)Nc1cc(C)ccc1C	873755749	SOQRQOWLZFBOOQ-AWEZNQCLSA-N	311.407	1.018	50	20	DDGD	
C[C@@H]1CCN(S(=O)(=O)NNC(=O)c2cccc(Cl)c2)C1	777913623	OWGSKFQCUKPTSX-SECBINFHSA-N	317.798	1.161	50	20	DDGD	
CS(C)(=O)=Nc1cccc(NC(=O)NNC(=O)C2CCC2)c1	879865573	FMURNZSTFHMOBG-UHFFFAOYSA-N	324.406	1.999	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)CCc1nc(C)no1	773640806	GXULEFOVDUQGOW-UHFFFAOYSA-N	322.296	1.380	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1ccc(C#N)c(F)c1	776762492	MHVCRKJBMAEUJW-UHFFFAOYSA-N	302.309	1.160	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc(-c2ncn(C)n2)cc1	771767919	LOWMDUGYDVXVRG-UHFFFAOYSA-N	302.338	1.291	50	20	DDGD	
CCSCc1cc(C(=O)NNc2nccc(OC)n2)no1	771159829	WYCVGOIPACSBPV-UHFFFAOYSA-N	309.351	1.483	50	20	DDGD	
COC(OC)C(=O)NNc1cc(Br)ccc1F	885149518	TWFJNVBDMWIFDL-UHFFFAOYSA-N	307.119	1.650	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)C(=O)OC[C@@H](C)CBr	770318667	QPNPMCPWXDKBCI-ZETCQYMHSA-N	317.183	1.794	50	20	DDGD	
CC/C(C)=C(\C)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1	779840424	VHHNWBINUCYCEN-ZHACJKMWSA-N	324.402	1.598	50	20	DDGD	
C#Cc1cccc(NC(=O)C(=O)NNc2nccnc2C(C)C)c1	773999395	JDBFBRNKRXPNFK-UHFFFAOYSA-N	323.356	1.663	50	20	DDGD	
O=C(NNc1cnccn1)Nc1nnc(CC(F)(F)F)s1	770073543	LXIKWZCDZNXTTR-UHFFFAOYSA-N	319.272	1.582	50	20	DDGD	
O=S(=O)(CCCCl)N(CCCO)Cc1ccccn1	882148015	RQVSRXMEKLBKAS-UHFFFAOYSA-N	306.815	1.225	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cnn(C)c1Cc1ccccc1	772153530	ZFNOSVQALILVBY-UHFFFAOYSA-N	315.377	1.365	50	20	DDGD	
O=S(=O)(CCCCl)N1C[C@@H](O)C[C@H]1c1ccccc1	882258429	QQUOEWKCSUDATC-STQMWFEESA-N	303.811	1.753	50	20	DDGD	
CN(C)C(=O)c1ccccc1OS(=O)(=O)CCCCl	881977062	JGQQZLNBVCPICG-UHFFFAOYSA-N	305.783	1.726	50	20	DDGD	
CCC[C@@H]1C[C@@H](C(=O)NNc2ccnc(N(C)C)n2)CCO1	780539829	PQNNDXXCTMKWLS-NWDGAFQWSA-N	307.398	1.581	50	20	DDGD	
COCCc1noc(COC(=O)/C(C#N)=C\c2ccccc2)n1	785376878	QSPAKAGBBMDMDT-LCYFTJDESA-N	313.313	1.909	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cccc(Br)n1	887145765	QJBNUWKLUVWHDB-UHFFFAOYSA-N	310.151	1.409	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1ccc2c(c1)OCO2	788177017	GHCCRECUUPYWNT-UHFFFAOYSA-N	324.300	1.148	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)nc1	781527255	DEYFJGZMPNIAEB-LLVKDONJSA-N	312.329	1.872	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)n1	887699609	GQGIGMSCIVMSNS-UHFFFAOYSA-N	313.357	1.847	50	20	DDGD	
N#CC1=CCN(C(=O)c2ccc(CN3C(=O)CCC3=O)cc2)CC1	780688299	CNFBOLWQBSHTIE-UHFFFAOYSA-N	323.352	1.631	50	20	DDGD	
Cn1nc(Br)cc1C=NNC(=O)CC(F)(F)F	782206748	RUQADKJNTROCFT-UHFFFAOYSA-N	313.077	1.585	50	20	DDGD	
O=S(=O)(CBr)Oc1ccc(-n2cccn2)cc1	782449911	QABXQBCLYFANPY-UHFFFAOYSA-N	317.164	1.933	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNC(=O)CC(C)(C)C)c1ccnn1C	788113489	LPRTVJFSAXYXCW-LBPRGKRZSA-N	323.441	1.926	50	20	DDGD	
O=C(COc1ccccc1)NNc1ccc(-n2ccnc2)nn1	788174042	CSFGTRXOPNWSSC-UHFFFAOYSA-N	310.317	1.184	50	20	DDGD	
COc1cccc(C[C@@H](C)CC(=O)NNc2cnnn2C)c1	899143597	NCONGZDEIOFGTE-LLVKDONJSA-N	303.366	1.536	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ccc2nccn2c1	780731301	OXIZRFIDNNHEJS-UHFFFAOYSA-N	310.313	1.878	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C\c1cccc(O[C@H](C)C(=O)O)c1	786044065	FNYMNFWWATXNKM-GARZTLJTSA-N	309.343	1.838	50	20	DDGD	
O=C(NNc1ncncc1Cl)Nc1cnc(C2CC2)nc1	782033807	OEFWMHHYXMKVJI-UHFFFAOYSA-N	305.729	1.946	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)/C=C(/C)Cl	899947287	RIHNHAUUTMDLPY-NTMALXAHSA-N	320.780	1.889	50	20	DDGD	
O=C(NCc1cnn(CC2CCC2)c1)NNC(=O)C1CCC1	896962239	UCWOCXBJBIIVSJ-UHFFFAOYSA-N	305.382	1.314	50	20	DDGD	
N#C/C(=C\c1ccc2c(c1)CCCO2)S(=O)(=O)NC1CC1	899368263	GVNLOBNTJMKXAA-NTEUORMPSA-N	304.371	1.958	50	20	DDGD	
CCCOc1ccc(NC(=O)C(=O)NNc2cccnn2)cc1	784858725	UYTMEEMNSUYAEJ-UHFFFAOYSA-N	315.333	1.347	50	20	DDGD	
Cn1nc2c(c1C(=O)NNc1ncncc1Cl)CCCC2	781833717	OREMIMPZEADAGZ-UHFFFAOYSA-N	306.757	1.499	50	20	DDGD	
CC(=NNC(=O)Cn1cnc2ccccc21)c1nccnc1C	783511527	HQQQNNAOOYIVIZ-UHFFFAOYSA-N	308.345	1.675	50	20	DDGD	
O=C(NN=C1CCC(C(F)F)CC1)[C@@H]1CCS(=O)(=O)C1	799475271	ZMDQVVHKJANNMW-YGPZHTELSA-N	308.350	1.349	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)COc1ccc(C#N)cc1	794614401	ZDKJZUMGFRKWNG-UHFFFAOYSA-N	312.329	1.289	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H](C)NC(=O)C1CCCCC1	791222331	GHXHFGFBTJUXKO-GFCCVEGCSA-N	304.394	1.918	50	20	DDGD	
CCn1cc(C(=O)C(=O)NNC(=O)Nc2ccccc2C)cn1	798311498	AWDHVAAJMOIRIE-UHFFFAOYSA-N	315.333	1.247	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C(C)c1ncc[nH]1	790143838	XVUQDGRAPJUCMM-UHFFFAOYSA-N	302.334	1.728	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCC[C@H](C)C1	790064108	TUTNULHGTKOOTC-RYUDHWBXSA-N	300.399	1.749	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)c1ncccc1Cl	794260885	GYGCBDSYHQZWKO-UHFFFAOYSA-N	319.748	1.965	50	20	DDGD	
COCC[C@H](NC(=O)[C@H](Br)C(C)(C)C)C(=O)OC	794249981	TUGFVRLAIBWQEJ-IUCAKERBSA-N	324.215	1.490	50	20	DDGD	
COCc1cc(C=NNC(=O)COc2ccc(C)c(C)c2)no1	794868956	TZZYWILIOQGNPB-UHFFFAOYSA-N	317.345	1.967	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)C[C@@H]1CCCOC1	793753414	XRRQWKSOGKHAJV-NSHDSACASA-N	324.402	1.448	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C2=Cc3ccccc3OC2)n1	794075089	KXNFOMDBGKVNKD-UHFFFAOYSA-N	309.325	1.627	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNc1nc(O)c2ccccc2n1	795175325	XVXWKIFORXBHLV-CABZTGNLSA-N	304.350	1.840	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H](C)OC1CCCCC1	1318825412	CVZWIOSAFRHRSD-LLVKDONJSA-N	301.387	1.091	50	20	DDGD	
Cc1ncncc1C(=O)NNC(=O)c1cncn1-c1ccccc1	1317858046	FBQBFKBQPXODNQ-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
CN1CCc2cc(C(=O)NNc3nncc(N)c3Cl)ccc21	1320763286	HAFJXQNZPJUVKM-UHFFFAOYSA-N	318.768	1.461	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1ccc(-c2cnn(C)c2)cc1	1328379175	OXDQCXBAGRBOSA-LRDDRELGSA-N	312.373	1.962	50	20	DDGD	
CC(=O)c1cccc(NC(=O)C(=O)NNc2ccc(C)nn2)c1	1324344205	VGHJOTLQMPBOQS-UHFFFAOYSA-N	313.317	1.069	50	20	DDGD	
C[C@H](C(=O)NNc1cncc(Br)c1)c1cnn(C)c1	1324494294	SEOCUYOCTAZTNC-QMMMGPOBSA-N	324.182	1.824	50	20	DDGD	
Cc1cc(C)c(C(=O)OCC(=O)NNC(=O)c2cccs2)[nH]1	1323895694	SMPFSTLHWKOKJW-UHFFFAOYSA-N	321.358	1.311	50	20	DDGD	
CSSCCNC(=O)N[C@@H](C)C(=O)NCC(F)(F)F	1321736879	BRTHDVZSUFBBBP-LURJTMIESA-N	319.374	1.364	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@@H]2CCCS2)cc1	1323771688	YALGJHWMVHTNQP-LBPRGKRZSA-N	309.391	1.535	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccn1C)c1ccc(F)c(F)c1	1320196953	BZAAIURNUPFLHG-VIFPVBQESA-N	307.300	1.868	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1nc2c(s1)C[C@@H](C)CC2	1324925078	OVQIHQPTSXGFNY-VIFPVBQESA-N	308.407	1.243	50	20	DDGD	
CO[C@H]1CCC[C@H]1C(=O)NNC(=O)C(C)(C)c1ccccc1	1336340743	JUAIUUMWUHWVFC-KGLIPLIRSA-N	304.390	1.927	50	20	DDGD	
C[C@@H](CCNC(=O)NNC(=O)C1CCNCC1)CC(C)(C)C	1331455416	JWIHVHOFTITVST-LBPRGKRZSA-N	312.458	1.779	50	20	DDGD	
Cn1cc(-c2ccc(C=NNC(=O)C3CCOCC3)cc2)cn1	1330902461	GQMBNKCGEQAFKE-UHFFFAOYSA-N	312.373	1.964	50	20	DDGD	
O=C(NN=Cc1ncc(Br)s1)C1CCOCC1	1333655468	XCLWPLHCUDXCJV-UHFFFAOYSA-N	318.196	1.782	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc3c(c2)ncn3C)cc1	1253554035	HEZAFVQNXOJCNN-UHFFFAOYSA-N	324.340	1.657	50	20	DDGD	
CC1=NO[C@@](C)(C(=O)NNC(=O)CCOc2ccccc2)C1	1335759220	INVIIVJMZUCWCP-OAHLLOKOSA-N	305.334	1.158	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1c(F)cccc1[N+](=O)[O-]	1331901726	OENMFJMOMIOYOF-UHFFFAOYSA-N	300.315	1.251	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1Cc2cccc(Cl)c2C1	1341397794	SPJLQZYBPWCUNJ-ONGXEEELSA-N	323.780	1.821	50	20	DDGD	
O=C(NC[C@H]1CCCCCN1)NNC(=O)c1ccccc1Cl	1346699458	HQMMMIYOIIAXIB-LLVKDONJSA-N	324.812	1.816	50	20	DDGD	
CN1CC[C@H]1CNC(=O)NNC(=O)c1ccc2ccccc2c1	1263144501	MXEOOKBZZXMVBU-HNNXBMFYSA-N	312.373	1.488	50	20	DDGD	
CN1CCCC[C@H]1CNC(=O)NNC(=O)c1ccccc1F	1341279491	CZJQTJOEWNDENY-NSHDSACASA-N	308.357	1.254	50	20	DDGD	
C[C@H]1c2ccccc2OCCN1C(=O)NNC(=O)c1cn[nH]c1	1261791888	DUUSLKJXNGYDCV-JTQLQIEISA-N	315.333	1.220	50	20	DDGD	
CC[C@H](C)C[C@H](C)NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1604001243	RWZBMVURGHTVOI-UWVGGRQHSA-N	318.385	1.713	50	20	DDGD	
O=C(O)c1coc(C(=O)NNc2cc(O)nc3ncccc23)c1	1602550404	GNPDLBDISWCNTN-UHFFFAOYSA-N	314.257	1.384	50	20	DDGD	
O=C(O)[C@H]1CCN1S(=O)(=O)c1ccc(CCCl)cc1	1608639725	FQBIKTHLVFRFJD-LLVKDONJSA-N	303.767	1.316	50	20	DDGD	
CC1(C)CO[C@@H](CNC(=O)NNc2ccc(CC(=O)O)cc2)C1	1604547391	LQEOBLNZZFINSX-CYBMUJFWSA-N	321.377	1.755	50	20	DDGD	
Cc1ccc(C(=O)O)cc1NC(=O)NNC(=O)[C@@H]1CCCS1	1607743008	BROFKDRUQWRNAS-NSHDSACASA-N	323.374	1.742	50	20	DDGD	
C[C@H](CC(=O)O)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	1604095374	SRYRIHGVWWRYOT-ZCFIWIBFSA-N	301.249	1.228	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cc(COC)cc(C(=O)O)c1	1605619054	RVFVOJITAMZUSH-FMIVXFBMSA-N	304.302	1.914	50	20	DDGD	
C[C@H]1Cc2cc(C(=O)NNc3ccc(C(=O)O)cn3)ccc2O1	1604824542	BSKKYTBPGSIIRH-VIFPVBQESA-N	313.313	1.860	50	20	DDGD	
O=C(CC[C@@H]1C[C@H](C(=O)O)CO1)NNc1c(F)cccc1F	1601285275	UMORYMHKBKTANS-DTWKUNHWSA-N	314.288	1.678	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1nc(Cl)cs1	1609559296	UQZZYGZQYQZBJJ-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
O=C(O)C1(C(=O)NNc2ccc(F)c(F)c2)CCOCC1	1605935399	IBIFCUZXLYDSPN-UHFFFAOYSA-N	300.261	1.289	50	20	DDGD	
O=C(NNC(=O)[C@]1(C(=O)O)C[C@H]1c1ccccc1)C1CCCC1	1601552726	FTYNWWYAPHFARP-GUYCJALGSA-N	316.357	1.583	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc2c(nc3ccccn32)s1	1548721133	UQBTVSHDQCFGLM-VIFPVBQESA-N	304.375	1.506	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@@H]1C=NNC(=O)c1ccnnc1	1552454440	OKYYCLKXQJWXDK-RISCZKNCSA-N	314.349	1.094	50	20	DDGD	
CC(C)(C)[C@@H](N)CC(=O)NNC(=O)Cc1c[nH]c2ccccc12	1575112652	HOOUNQGAPBAZTI-AWEZNQCLSA-N	316.405	1.621	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNc1cccc(Cl)n1)C(=O)O	1588825447	SBPZPMGJPJJQDZ-QMMMGPOBSA-N	300.746	1.718	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)C[C@@H]1CCNc2ccccc21	1580573054	AUEQRJKWJOXTIS-AWEZNQCLSA-N	324.384	1.761	50	20	DDGD	
NCCCCCC(=O)NNC(=O)C12CC(C(F)(F)F)(C1)C2	1580292860	WMXTYDUVPJMGIN-UHFFFAOYSA-N	307.316	1.386	50	20	DDGD	
CCCC(=O)N1CCCC12CN(C(=O)CO[Si](C)(C)C)C2	1842657884	HQIWBZGUWZIDSG-UHFFFAOYSA-N	312.486	1.841	50	20	DDGD	
C=C(CCC(=O)O)C(=O)NNc1ncc(Br)cn1	1588630405	KLCKIYFQWWKWII-UHFFFAOYSA-N	315.127	1.103	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cc(-c3nn[nH]n3)ccc2F)cc1	1592697130	NJXPBHJIZBAYSN-UHFFFAOYSA-N	323.291	1.634	50	20	DDGD	
O=C(NNc1cccc(F)c1F)c1ccsc1-c1nn[nH]n1	1593167675	OJGFRVRDFDLKGY-UHFFFAOYSA-N	322.300	1.963	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	1590371942	MLHOLMFAMJELAQ-GFCCVEGCSA-N	320.744	1.298	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNc1cccc(F)c1C(=O)O	1591124145	GKEZHPHHYVUGOQ-MRVPVSSYSA-N	311.313	1.115	50	20	DDGD	
C[C@H](Cn1ccnc1)NC(=O)NNc1ccc(C(=O)O)cc1F	1592931339	VDZUQEIIJFSWRP-SECBINFHSA-N	321.312	1.435	50	20	DDGD	
CC1(C)OC[C@H]2C[C@@]21C(=O)NNc1ccc(C(=O)O)cc1F	1593977094	MRACKKPDDSWKHS-PSLIRLAXSA-N	308.309	1.782	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NN=C(C)c1ccc(C(=O)O)cc1C	1776101985	DITABOSVEWBUFQ-KGLIPLIRSA-N	304.346	1.958	50	20	DDGD	
Cc1nc(F)ccc1C=NNC(=O)c1cccc(C(=O)O)c1	1776095577	HPRUFLGFACCHNC-UHFFFAOYSA-N	301.277	1.991	50	20	DDGD	
C/C=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Cl)C[C@@H]21	1790797446	YIOMYLSFAJMGLW-ZFQZOHJYSA-N	318.776	1.077	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H](NC(C)=O)C(C)C)cc1	5066335	GIYJEXDHGQJJEW-AWEZNQCLSA-N	305.378	1.171	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1	161221673	YMFOSQJUYXSEOP-UHFFFAOYSA-N	324.768	1.046	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cnn(C)c1)c1ccc(F)cc1	160107945	RRZAGUIROSFSDI-CYBMUJFWSA-N	304.325	1.514	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCC(F)(F)F)cc(Cl)n1	160209866	FRGUUHIQKLQJGH-UHFFFAOYSA-N	310.663	1.550	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CS[C@H]2CCO[C@H]2C)c1	163757417	RKZPOHZKMNFVHP-AAEUAGOBSA-N	308.403	1.667	50	20	DDGD	
C[C@H]1CC[C@H](CC(=O)NNC(=O)COc2ccc(C#N)cc2)C1	164246046	OLWHOOYIKUIUPG-JSGCOSHPSA-N	315.373	1.911	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(C)(C)Oc1ccc(C#N)cc1	151953508	UTUXHZSMGUBGLH-UHFFFAOYSA-N	303.362	1.909	50	20	DDGD	
O=C(CCCNC(=O)C1CC1)NNC(=O)CCc1ccccc1	154156553	KLYBTWHLYCMUSF-UHFFFAOYSA-N	317.389	1.073	50	20	DDGD	
CS[C@@H](C)CC(=O)NNC(=O)COc1ccc(F)cc1	155461418	ZHKXGLWOVLITAO-VIFPVBQESA-N	300.355	1.494	50	20	DDGD	
O=C(COc1ccc2ccccc2c1)NNC(=O)Cc1cc[nH]n1	106417130	PLYITINKWPBCAQ-UHFFFAOYSA-N	324.340	1.332	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(Cn2cccn2)cc1	109858765	RYGAPXFVKQSUSX-UHFFFAOYSA-N	324.344	1.038	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NCc1ccncc1	9748085	ZCHDPIGZXGYNNS-UHFFFAOYSA-N	324.344	1.182	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H](C(C)C)N(C)C)cc1	106901523	RFMMEXSWPHZNNP-HNNXBMFYSA-N	307.394	1.107	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccccc1)N1CCc2ccccc2C1	28891895	UZNKLEGYDQHIRI-CQSZACIVSA-N	323.396	1.894	50	20	DDGD	
C[C@@H]1C[C@@H]1C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	103523936	QQXVXFIUYYVTKJ-XCBNKYQSSA-N	304.318	1.782	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc(OC)c(Cl)c1	55617288	LWXMCRCFVAIZBR-QMMMGPOBSA-N	320.798	1.704	50	20	DDGD	
CC1CCN(CC(=O)NNC(=O)COCc2ccccc2)CC1	119953120	PKLAMEHEOYETQA-UHFFFAOYSA-N	319.405	1.083	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)c2cnccn2)c1	65701824	IVKGESAOTUPNEJ-UHFFFAOYSA-N	305.338	1.556	50	20	DDGD	
CCCCCC[C@@H](C)CC(=O)NNC(=O)C(=O)N1CCCC1	67922663	ASSKANOJPSKQJK-CYBMUJFWSA-N	311.426	1.753	50	20	DDGD	
Cc1cc(-n2cncn2)ccc1C(=O)NNC(=O)OC(C)(C)C	172927858	ROYGJBWQEHHKPU-UHFFFAOYSA-N	317.349	1.745	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2c(C)nn(C)c2C)n1	173480403	HMFUCWOEKLEPCZ-UHFFFAOYSA-N	303.370	1.270	50	20	DDGD	
O=C(NNC(=O)C(F)(F)C1(O)CCC1)c1cccc(Cl)c1	179156990	WIGSDYQJUZYPHO-UHFFFAOYSA-N	318.707	1.651	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)NCc1ccco1	65176311	LXIYMYUJEOGXKK-UHFFFAOYSA-N	303.318	1.448	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H](C)Oc1ccccc1)C1CC1	175553618	AIUXCWCHUPSEEM-WDEREUQCSA-N	307.419	1.748	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNc1ccc(Cl)nn1)c1ccco1	126274817	JCNFYKKNGXYZIK-SECBINFHSA-N	324.772	1.652	50	20	DDGD	
C=CCNc1ncc(C(=O)NNC(=O)Cc2ccncc2)s1	129580278	HWAJZEPBBXYWSZ-UHFFFAOYSA-N	317.374	1.140	50	20	DDGD	
O=C(NNC(=O)[C@]1(O)CCSC1)c1ccc2ccccc2c1	124517657	JTBQFASFLWSODU-INIZCTEOSA-N	316.382	1.469	50	20	DDGD	
CCC(=O)N1CC[C@H](NC(=O)NNc2cc(Cl)ccn2)C1	181525535	ZZAVAELHIVJHSX-JTQLQIEISA-N	311.773	1.372	50	20	DDGD	
C=C1c2ccccc2C(=O)N1CC(=O)NNc1ccnc(F)c1	182452005	AROFWZSGGXOOTD-UHFFFAOYSA-N	312.304	1.791	50	20	DDGD	
COCC(=O)N(C)CC(=O)NNc1c(F)cccc1Cl	184648640	IPRCUCAHAXXZFK-UHFFFAOYSA-N	303.721	1.027	50	20	DDGD	
CCCN1CCN(C(=O)c2c(C)nn(CCCl)c2C)CC1	73364486	WLAFOERWYBHBBW-UHFFFAOYSA-N	312.845	1.907	50	20	DDGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)CO)c1C	125657043	MYMXMIPGXDTMTO-PKKFTADVSA-N	319.405	1.716	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cnc(Cl)cc1C	124687302	HLQNTZNDQGZODU-SSDOTTSWSA-N	312.757	1.175	50	20	DDGD	
O=C(Cc1c(F)cccc1Cl)NNC(=O)[C@@H]1CCCO1	32262823	HXVNFAPODCPAAR-NSHDSACASA-N	300.717	1.348	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cccn2C)cnn1C1CCCC1	122303260	GSKDYFIQPYATBD-UHFFFAOYSA-N	315.377	1.720	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1	123320632	HSTMKFZCFRORGP-XQQFMLRXSA-N	317.393	1.677	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)c2ccc[nH]2)cc1Cl	121088055	BVRVLKRSGPLKLU-UHFFFAOYSA-N	313.766	1.600	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1cccc2ccccc12	180966702	PZCJJTZTBALEHS-UHFFFAOYSA-N	313.357	1.972	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccc(F)cc2)cc1S(N)(=O)=O	72861457	SFSBQLYMSFNBDP-UHFFFAOYSA-N	323.349	1.538	50	20	DDGD	
O=C(NNC(=O)c1c[nH]nc1-c1ccccc1)c1cccnc1	71814760	RGDRLDQSWHYPSI-UHFFFAOYSA-N	307.313	1.547	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2c(F)cccc2F)c1	190051143	YEENNDUKXJECNC-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)C(C)(C)O)c1Br	192920336	ZCBQONPWUQFXKC-UHFFFAOYSA-N	321.196	1.351	50	20	DDGD	
O=C(NNC(=O)C1CCN(C2CC2)CC1)c1cccc(Cl)c1	195270007	VPIZLWRSFOVHJC-UHFFFAOYSA-N	321.808	1.975	50	20	DDGD	
CN(NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1ccccc1	198156631	WXEBNQWTYCXKAE-CYBMUJFWSA-N	313.357	1.796	50	20	DDGD	
O=C(Cc1ccc(O)cc1)NNC(=O)c1cccc2ncccc12	133678953	STRPSOSCZDIFTE-UHFFFAOYSA-N	321.336	1.944	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)NC1CC1)C(=O)c1cccc(F)c1	81296015	XEKDBWKDRRXVQX-SECBINFHSA-N	307.325	1.527	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)Cc2cccnc2)ccc1C	194039042	OVMIVUJSAYGFIK-UHFFFAOYSA-N	311.341	1.596	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnn(C(C)(C)C)c1CC	142540657	PJNIWMUOQUMIEZ-UHFFFAOYSA-N	309.414	1.945	50	20	DDGD	
COC(=O)C1(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)CC1	194877525	VOQYBEPPQUSBIB-WQLSENKSSA-N	300.314	1.369	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1c[nH]c2ccccc12	252625084	QCQAHHQUCJFXEI-UHFFFAOYSA-N	310.313	1.641	50	20	DDGD	
COc1ccc(CNC(=O)NNc2nc(C)cc(OC)n2)cc1	266916834	BDTWMGSEUPYSDV-UHFFFAOYSA-N	317.349	1.629	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C[C@@H]2CCCCO2)c1O	268035883	ZUQBDCORIDSAPU-JTQLQIEISA-N	308.334	1.121	50	20	DDGD	
CO[C@@]1(C)C[C@@H](NC(=O)NNC(=O)c2ccccc2O)C1(C)C	266712412	HQDBFFXMJAWERE-WBMJQRKESA-N	321.377	1.540	50	20	DDGD	
O=C(C[C@H]1CNCCO1)NNc1c(Cl)cccc1Cl	269213413	RNMLFZAVCGQRQD-QMMMGPOBSA-N	304.177	1.815	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)NNC(=O)C1CCC1	267503876	DDRIBMPGNJVSCR-UHFFFAOYSA-N	316.317	1.208	50	20	DDGD	
Cn1c(NNC(=O)C2CCSCC2)nc2ccccc2c1=O	264985170	QHRDOQCUECVJAE-UHFFFAOYSA-N	318.402	1.520	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1ccccc1C(C)C	274229136	WJSDOWIJSJSXFZ-UHFFFAOYSA-N	305.378	1.942	50	20	DDGD	
CCS(=O)(=O)C[C@H](C)NC(=O)/C(C#N)=C\c1ccc(O)cc1	275164554	VDMBRMMJDCNGAE-LFTLCWSBSA-N	322.386	1.239	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)[C@H]1C[C@]12CCOC2	364108019	IYHSZDIJPJTYSN-PBHICJAKSA-N	302.374	1.583	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cnc3c(c2)COCC3)o1	375240003	VZBNSXFYJQREHM-UHFFFAOYSA-N	316.317	1.522	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)CCn1c(C)cc(O)cc1=O	276025261	QZDBXZSCFUUQDY-UHFFFAOYSA-N	319.336	1.843	50	20	DDGD	
COc1cccc(NNC(=O)c2csc(NC3CC3)n2)n1	272547038	QKKPTZPAJBAWJG-UHFFFAOYSA-N	305.363	1.878	50	20	DDGD	
CC(C)=CCCNC(=O)NNc1nc(O)c2cnn(C)c2n1	276810594	LNBPQJVVRFQNJV-UHFFFAOYSA-N	305.342	1.051	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(C(C)(C)C#N)cc1	280540593	JFEXNVVBLAYKFA-UHFFFAOYSA-N	318.377	1.468	50	20	DDGD	
COC(=O)NNC(=O)c1cncc(-c2ccc(OC)cc2)c1	376952931	CGAWLBAQBVRKAL-UHFFFAOYSA-N	301.302	1.758	50	20	DDGD	
CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NNc1ccccc1C	289369595	ARGLTPJXXJNLPL-ZDUSSCGKSA-N	323.393	1.978	50	20	DDGD	
COC1(C(=O)NNC(=O)c2c[nH]c3ccccc23)CCOCC1	284521056	NPRYWKLZDZFGDB-UHFFFAOYSA-N	317.345	1.125	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NNc1cc(C#N)cc(Cl)n1	802971357	MVMWYSJMFSKOAE-LLVKDONJSA-N	321.768	1.451	50	20	DDGD	
C#CCN(C)CCCNC(=O)NNC(=O)c1cccc(Cl)c1	296754492	FKWRVVDXNDBHGT-UHFFFAOYSA-N	322.796	1.239	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCOc2cccc(F)c2C1	801015667	IKHSOLQIHOYJAS-UHFFFAOYSA-N	309.341	1.807	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-]	296328582	UPMYZDQMDSVWGI-UHFFFAOYSA-N	301.230	1.086	50	20	DDGD	
O=C(CCc1ccccn1)NNc1ccc2c(=O)[nH]ccc2c1	803430009	RFYYTIZPTUGVRS-UHFFFAOYSA-N	308.341	1.999	50	20	DDGD	
O=C1CSc2ncc(C(=O)NNc3cccc(F)n3)cc2N1	804770392	ZDRNBCPQXJPHSA-UHFFFAOYSA-N	319.321	1.417	50	20	DDGD	
O=C(Cn1nnc(-c2ccccc2)n1)NNc1cccc(F)n1	804768080	MMKTXUXENVQAKK-UHFFFAOYSA-N	313.296	1.018	50	20	DDGD	
CC(=O)c1ccc(NC(=O)C(=O)NNc2cccc(F)n2)cc1	807391826	MCRCVIZNWLQJGX-UHFFFAOYSA-N	316.292	1.505	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)C(=O)c1ccc(O)cc1	806857751	VURKEVINEVCCFH-UHFFFAOYSA-N	308.297	1.661	50	20	DDGD	
N#CCNC(=O)CNC(=O)NNc1cc(Cl)ccc1Cl	807554116	BJZCOBILYWGSKD-UHFFFAOYSA-N	316.148	1.259	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@@]2(CCN(C)C2)C1	293621726	DRJQXENIUKALSZ-MRXNPFEDSA-N	324.856	1.907	50	20	DDGD	
CC(C)(CCC(=O)NNc1ncnc2ccsc12)[N+](=O)[O-]	295082719	WXDGOTAZJWNZPO-UHFFFAOYSA-N	309.351	1.970	50	20	DDGD	
CC[C@H](C)N(C)CCNC(=O)NNc1ncc(F)cc1F	297739281	RVXJJCHJABZGTK-VIFPVBQESA-N	301.341	1.716	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)[C@@H](C)OC[C@H]2CCCO2)c1	293919561	LRKLVJNAFOXTQE-IAQYHMDHSA-N	321.377	1.672	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NC2CCCCC2)c(C2CC2)n1	291503347	VTMQUWMYTXUBJI-UHFFFAOYSA-N	305.382	1.574	50	20	DDGD	
Cc1nc(C(=O)NNc2ccc(-n3ccnc3)nn2)sc1C	804955621	SPTDSLPIGIRJHF-UHFFFAOYSA-N	315.362	1.493	50	20	DDGD	
O=C(COc1ccc(Cl)c(F)c1)NNC(=O)NC1CC1	294248761	ULSQDWCFSFOGLX-UHFFFAOYSA-N	301.705	1.351	50	20	DDGD	
COC(=O)[C@@H]1C[C@H]2CC(=NNC(=O)c3ccccc3O)[C@H]1C2	817321833	CCCXLDZSQBWUAK-ZMLRMANQSA-N	302.330	1.697	50	20	DDGD	
C=CCC(F)(F)C(=O)NNC(=O)c1cc(Br)c[nH]1	814799363	CYZZVKUTRZYPLR-UHFFFAOYSA-N	322.109	1.750	50	20	DDGD	
Cc1nc2ccc(C(=O)NNc3ncncc3F)cc2n1C	817078939	ANYYNJDNFHJDSV-UHFFFAOYSA-N	300.297	1.568	50	20	DDGD	
NS(=O)(=O)c1ccc(C=NNC(=O)NC2CCCCC2)cc1	811630338	FZZBANSACREBIV-UHFFFAOYSA-N	324.406	1.300	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NNc2nccnc2Cl)C1	816925961	FKRLHKDABKFSBW-APPZFPTMSA-N	306.757	1.662	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)Cc1cn2ccccc2n1	811644525	ZOUJYYOUGCWCIH-LBPRGKRZSA-N	313.361	1.038	50	20	DDGD	
COCCn1c(C)cc(C=NNC(=O)Cc2cc[nH]n2)c1C	814956100	KDAKUFIYNSDHOE-UHFFFAOYSA-N	303.366	1.167	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NN=Cc2cnn(C)n2)c1C	814748298	JVFCZJYBCYCPNL-GFCCVEGCSA-N	301.350	1.350	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NCc1snnc1C	813849946	RKMBZHJEHGSLEG-UHFFFAOYSA-N	319.390	1.228	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1cnc(N(C)C)n1C	811634997	IOAWMEHPSOSPQQ-ZDUSSCGKSA-N	320.441	1.058	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNc1cccc(F)c1C(=O)OC	822731700	LSRVAOUWEPYCQM-SKDRFNHKSA-N	308.309	1.647	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)C1(C(=O)C2CC2)CC1	827032236	RAQBJIRLRFCVBO-UHFFFAOYSA-N	302.359	1.894	50	20	DDGD	
CC(=O)c1ccc(CC(=O)NNC(=O)Cc2cccnc2)cc1	728851513	HJQAXTKQUHFZJC-UHFFFAOYSA-N	311.341	1.217	50	20	DDGD	
O=C(NNC(=O)Nc1ccc2c(c1)OCO2)NOCC1CCC1	824106317	QAPCEWAFEWIHLJ-UHFFFAOYSA-N	322.321	1.483	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNC(=O)Nc1ccc(OC)cc1	491692758	JFEZOKFIKCMGJO-LLVKDONJSA-N	304.350	1.833	50	20	DDGD	
C[C@@H]1SCC[C@@H]1NC(=O)NNC(=O)Cc1ccccc1F	827642951	IINHPEOBKIZKNU-CABZTGNLSA-N	311.382	1.593	50	20	DDGD	
CCOc1ccc(C(=O)CCC(=O)NN(CC)CCO)cc1	823833842	LJIBBDIZCUGVFD-UHFFFAOYSA-N	308.378	1.394	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C	493159269	SZOQVUPEBHGETJ-VIFPVBQESA-N	303.359	1.267	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1	823829815	YFINIWIXBMKAJC-NSHDSACASA-N	306.284	1.084	50	20	DDGD	
C[C@@H](CCNC(=O)/C(C#N)=C\c1cnn(C)c1)N1CCCCC1	491100509	BECACLAUAAEXNZ-FBKCMUNRSA-N	315.421	1.708	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	823829109	MQDUFILKFKRSSP-UHFFFAOYSA-N	322.365	1.154	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2CCC(C)(C)CC2)n1	726970387	QDMUZVWDHVVNFT-UHFFFAOYSA-N	324.450	1.263	50	20	DDGD	
C[C@H](NNC(=O)c1cc(O)nc2c1CCCC2)C(F)(F)F	826949762	KXZFZWLSPPHRGF-ZETCQYMHSA-N	303.284	1.851	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H](C)C[C@H](C)O)cc(C#N)n1C	490844106	PJGGOQHZRVQMJX-VYNVAFALSA-N	300.362	1.388	50	20	DDGD	
C=CCC1(CNC(=O)c2cc(B(O)O)ccc2F)CCCC1	584996231	AVSKGOWLZZOEBW-UHFFFAOYSA-N	305.158	1.372	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)/C=C/[C@H]2CCOC2)c1	493420569	ODQORCHFBXNHEJ-SYTKJHMZSA-N	303.362	1.106	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2ccc3c(c2)CCO3)n1	725874242	ATUXKKYRIPZBHS-UHFFFAOYSA-N	313.361	1.855	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCCc1nnc(-c2ccccc2)o1	823971035	NQRAHSIMWXAEDP-GFCCVEGCSA-N	318.377	1.403	50	20	DDGD	
COC(=O)[C@H](CC(F)F)NC(=O)[C@@]1(C)C[C@@H]1Br	824113405	ZNGPXTUWSZNGME-VGIXGZPDSA-N	314.126	1.473	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)Cc1nc(-c2ccccc2)cs1	821218230	VRCZNWIHODUYLF-LLVKDONJSA-N	305.403	1.696	50	20	DDGD	
O=C(Cc1csc(-c2ccoc2)n1)NNc1cccnn1	738542900	LDRRVKMYFUDDJX-UHFFFAOYSA-N	301.331	1.879	50	20	DDGD	
CC[C@@H](O)[C@@H](C)C(=O)Nc1cccc(NC(=O)NN(C)C)c1	907822664	PLAFCQCHPIHKAH-ZWNOBZJWSA-N	308.382	1.630	50	20	DDGD	
CC(C)(C)[C@@H]1OCCC[C@H]1CNCc1ccccc1B(O)O	585024504	YOYMLMILORTQBR-GOEBONIOSA-N	305.227	1.297	50	20	DDGD	
CCOC(=O)N[C@@H](CNS(=O)(=O)CCl)CC(C)C	820784858	AHSGZJHJIQOXAR-SECBINFHSA-N	300.808	1.263	50	20	DDGD	
Cc1nn(CCC(=O)O)c(C)c1C=NNC(=O)CC(C)(C)C	738923542	XGIWWQKHKLARQX-UHFFFAOYSA-N	308.382	1.861	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H](C(N)=O)c1ccccc1	491105418	QCQDEFWPJLFCIA-HFQYIWAZSA-N	321.336	1.642	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1cc(Cl)c(C)c(Cl)c1	495326269	IMQNYNJGGGBBSI-UHFFFAOYSA-N	320.132	1.628	50	20	DDGD	
CN(CCCCNC(=O)NNc1ccc(Cl)nn1)C1CC1	836682547	QJCRFQCMHSTLCU-UHFFFAOYSA-N	312.805	1.631	50	20	DDGD	
CO[C@H](C=NNC(=O)c1ccnc(N(C)C)c1)C1CCOCC1	834957367	VLNUPUABZBECFQ-CQSZACIVSA-N	320.393	1.305	50	20	DDGD	
CCOCCOC1CN(C(=O)[C@@]2(C)C[C@H]2Br)C1	907235480	HESNOKYXCSJKFK-PWSUYJOCSA-N	306.200	1.424	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)c2c(C)nn(C)c2C)nc(C)n1	736716597	POKYQWWNYNXTDU-VIFPVBQESA-N	302.382	1.691	50	20	DDGD	
COc1ccc(CCNS(=O)(=O)CCl)c(OC)c1OC	830371909	NLTXMYPHXLXZBI-UHFFFAOYSA-N	323.798	1.371	50	20	DDGD	
C[C@@H]1CC[C@@H](CNC(=O)NNC(=O)c2ccc(C#N)cc2)O1	838744481	KQJYIJOFMVOVRD-MFKMUULPSA-N	302.334	1.070	50	20	DDGD	
COc1cccc(CCNC(=O)NNC(=O)C2CCC2)c1OC	732240325	UJALUMGSHJTWBQ-UHFFFAOYSA-N	321.377	1.377	50	20	DDGD	
CCOc1ccc(C(=O)NN=C2CCNC(=O)CC2)cc1OC	834929480	PGYAKCIMLACIQR-UHFFFAOYSA-N	319.361	1.480	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@H]2CCCC2(F)F)n1	838672764	JVPXQDVHBXPUIM-QMMMGPOBSA-N	301.297	1.547	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1	839473576	CYYBCQJBRQOXIK-QWHCGFSZSA-N	305.334	1.892	50	20	DDGD	
CC[C@@]1(C)CCCN(C(=O)c2cc(B(O)O)ccc2F)CC1	584959573	CFEHQSYZUWKAIJ-INIZCTEOSA-N	307.174	1.548	50	20	DDGD	
C[C@@H]1CC[C@H](CNC(=O)NNC(=O)c2cccc(C#N)c2)O1	838745301	ODZIXZPIKBBBTP-ZWNOBZJWSA-N	302.334	1.070	50	20	DDGD	
Cn1nc2c(c1C(=O)NNc1cnc3ccccc3n1)CCC2	907391139	GQVKUDHJWWJREI-UHFFFAOYSA-N	308.345	1.609	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C2=CC[C@H](C)CC2)c1O	839567486	LQNMTHZPDXHVCR-JTQLQIEISA-N	304.346	1.908	50	20	DDGD	
CC[C@H](O)[C@H](C)C(=O)NNC(=O)c1cc(C)nc2ccccc12	907954864	VWRLVTORTKFDJT-NHYWBVRUSA-N	315.373	1.711	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H](C)CC(=O)O)c1C	832972559	FCRGMGCGAXXLLN-CMPLNLGQSA-N	322.361	1.329	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@H]1CCC[C@@H](C(=O)O)C1	833118846	QFNKQOLZGORFNP-NWDGAFQWSA-N	322.336	1.407	50	20	DDGD	
CN(C)C1(CNS(=O)(=O)CCl)Cc2ccccc2C1	830672283	RMFOHDYSYJPOGI-UHFFFAOYSA-N	302.827	1.201	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)C(=O)NNC(=O)c1ccc(Cl)cc1	837306767	IKJZKLWPMMBCRL-SNVBAGLBSA-N	320.780	1.713	50	20	DDGD	
CO[C@@]1(C(=O)NNc2cc(O)nc3ncccc23)CCSC1	913996018	HJMFPWGSSRRSQV-AWEZNQCLSA-N	320.374	1.301	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H](C)c1nc(C)no1	731543796	DDZGSRLTNBHXJM-QMMMGPOBSA-N	319.321	1.092	50	20	DDGD	
CN(C)c1ncccc1C(=O)NNC(=O)c1cccc(Cl)c1	915273858	DDKVJRDNSCIFIN-UHFFFAOYSA-N	318.764	1.876	50	20	DDGD	
C=CC[C@H](C(=O)NNC(=O)CN1CCCC1=O)c1ccccc1	913732028	FLKXVGMMQWSOCR-AWEZNQCLSA-N	315.373	1.116	50	20	DDGD	
COc1cc(NCCNS(=O)(=O)CCl)cc(OC)c1	830928559	APKLWEDZRSXPNX-UHFFFAOYSA-N	308.787	1.231	50	20	DDGD	
CCc1ccc(-c2cc(C(=O)NN(C)[C@H](C)CO)no2)cc1	911444243	CMCFLWSZFBYNSM-LLVKDONJSA-N	303.362	1.861	50	20	DDGD	
CN1CCN(C(=O)CCCC[C@@H]2CCSS2)[C@H](CO)C1	912749441	YYOQIGYVHPPTAB-QWHCGFSZSA-N	318.508	1.835	50	20	DDGD	
CN(C)CC[C@@H](N)C(=O)NNc1ccccc1C(F)(F)F	846668256	IWLQRBZGKOOUMJ-SNVBAGLBSA-N	304.316	1.428	50	20	DDGD	
O=C(CNC(=O)C1CC1)NNc1cccc(C(F)(F)F)n1	740140119	NKNCLJULIFWWHI-UHFFFAOYSA-N	302.256	1.070	50	20	DDGD	
CCc1nc(C(C)C)ccc1C(=O)NNC(=O)c1ncccn1	841353183	UAFPRGSKURSCJQ-UHFFFAOYSA-N	313.361	1.632	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(CCN(C)C)cc2)n1	847691599	HHLASGMYOWWIFF-UHFFFAOYSA-N	314.389	1.951	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(C)c1OC	843655924	OJFHNXUIYPUNNQ-JQWIXIFHSA-N	322.361	1.198	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1ncc(C2OCCO2)s1	842558080	FSQHDGVDVXTSDI-BDAKNGLRSA-N	311.363	1.064	50	20	DDGD	
CCCC[C@@H](CN)NC(=O)NNc1ccc2c(=O)[nH]ccc2c1	841959648	ZAFOEDHZJNWHGN-ZDUSSCGKSA-N	317.393	1.672	50	20	DDGD	
COC(=O)CCCC(=O)NNc1ncc(Br)cn1	848391283	BVLUIVXPKLSPCE-UHFFFAOYSA-N	317.143	1.026	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NN(C)C[C@@H](C)O	910145128	QDEMOPYIXIRZAG-NEPJUHHUSA-N	317.430	1.366	50	20	DDGD	
COCCOCC(C)=NNC(=O)CNc1ccc(C)cc1C	741163282	JKQZBNNKCFYXDZ-UHFFFAOYSA-N	307.394	1.870	50	20	DDGD	
O=C(COC(=O)[C@H]1CC12CCCC2)NNC(=O)c1ccccc1	747727036	LCUUSFJVQQRHEX-CYBMUJFWSA-N	316.357	1.571	50	20	DDGD	
CC(C)Cc1ccc(C(=O)NNC(=O)N2CCOCC2)cc1	745992655	GXIGSYQVVMMWRL-UHFFFAOYSA-N	305.378	1.572	50	20	DDGD	
CC1=C(C(=O)N(C)CC(Cl)Cl)[C@@H](C)n2nnnc2N1C	848084306	ZTJKPUOWWLJEDD-SSDOTTSWSA-N	319.196	1.220	50	20	DDGD	
CCCn1nc(C)c(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1C	843654865	SVWPLMCZWUFKAN-RYUDHWBXSA-N	308.382	1.096	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cn1cnc2ccccc21)C(F)(F)F	742472803	UBQZEIQEAICWHQ-QMMMGPOBSA-N	314.267	1.382	50	20	DDGD	
C[C@H]1CC[C@H](C)N1CC(=O)NNC(=O)c1ccc(C#N)cc1	746184500	DFLNCWUKTSGBLZ-RYUDHWBXSA-N	300.362	1.192	50	20	DDGD	
CCN1C[C@H](CNC(=O)/C(C#N)=C\c2ccc(O)cc2)CC1=O	846462899	JHEPABXJLFQWDL-GRFABLRMSA-N	313.357	1.284	50	20	DDGD	
C[C@H](Oc1ccccc1)C(=O)NNc1ccnc(N(C)C)n1	740118967	YWZKLGHZCRASOB-NSHDSACASA-N	301.350	1.453	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)OC[C@H](O)C(C)C)cc(C#N)n1C	849673755	ZEGMQKJNOVPGCS-WQPBDQAGSA-N	301.346	1.672	50	20	DDGD	
COC(=O)[C@H]1CN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)CCO1	750043606	KMXFGKAITHMLMF-BRRGFWCPSA-N	317.301	1.333	50	20	DDGD	
Cc1nnccc1C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	753277956	WVMACVLMHVOIJG-UHFFFAOYSA-N	322.328	1.250	50	20	DDGD	
NC(=O)c1cccc(C=NNC(=O)c2ccc3c(c2)OCO3)c1	755485098	WYTBFCFBSUJCCN-UHFFFAOYSA-N	311.297	1.278	50	20	DDGD	
O=C(CNc1ccccc1)NN=C1C(=O)Nc2c(F)cccc21	753956112	UPWIJPDPUMTSRU-UHFFFAOYSA-N	312.304	1.710	50	20	DDGD	
CC(CN1C(=O)CCC1=O)=NNC(=O)COc1cccc(C)c1	754909840	CFXDFRHYSWPJJX-UHFFFAOYSA-N	317.345	1.015	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(Cl)cc1	858093171	UDNULNGTKYZWDG-KWQFWETISA-N	324.768	1.010	50	20	DDGD	
C[C@H](C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(F)cc1	853388991	SULGZHBCPUSUFC-WQVCFCJDSA-N	319.380	1.894	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1C[C@H]1c1ccccc1C	850045480	WFZKITCCHFWAHD-KWCYVHTRSA-N	318.373	1.588	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1	858142032	VLYNZTWJEIXLHX-DVZHBHJUSA-N	320.389	1.581	50	20	DDGD	
C[C@]1(CNC(=O)c2cc3n(n2)CCCO3)C[C@@H]1Br	857391928	WBUCPFXJBZELAT-JOYOIKCWSA-N	314.183	1.569	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@H](c1ccccc1)N(C)C)C1CC1	855099312	WGPGLXWVJGSRFO-RISCZKNCSA-N	320.462	1.583	50	20	DDGD	
O=C(NN=Cc1cnc2ncccn12)c1cccc([N+](=O)[O-])c1	755462629	UNVQLTFQUDQFDZ-UHFFFAOYSA-N	310.273	1.401	50	20	DDGD	
CC[C@@H](C(=O)NNC(=S)N[C@@H](C)COC)c1ccccc1	853395528	AKKPOYGOEZMSND-WCQYABFASA-N	309.435	1.710	50	20	DDGD	
CC(=O)OCC(C)(C)CC(=O)NNC(=S)NCC1CCC1	855089405	PUWBSYHKXOVCBM-UHFFFAOYSA-N	315.439	1.261	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2	755459053	PNDFLYOOUCHPKH-UHFFFAOYSA-N	321.333	1.527	50	20	DDGD	
C[C@]1(CNC(=O)NCCn2ccnc2)C[C@H]1Br	856717129	AHBHEOZIBLZILJ-MWLCHTKSSA-N	301.188	1.356	50	20	DDGD	
CC#CC[C@H](CO)NC(=O)NC[C@@]1(C)C[C@@H]1Br	856961221	XIEVIKVLSOIELR-JFGNBEQYSA-N	303.200	1.233	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cc2c(cc1O)OCO2	855089353	NKIFQHUVYLVLHV-UHFFFAOYSA-N	323.374	1.030	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2cc(C(N)=O)cs2)ccn1	755894025	UGTIMGIWHWSDEH-UHFFFAOYSA-N	317.374	1.072	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)c1ccc(C)cc1)[C@@H]1CCCO1	754513682	GQBZIWCQSYLORY-CABCVRRESA-N	319.405	1.303	50	20	DDGD	
CCCCC[C@H]1CCCN1C(=O)NNC(=O)[C@@H]1CCC(=O)N1	858697108	QEJNPGBVJFTCEO-RYUDHWBXSA-N	310.398	1.051	50	20	DDGD	
N#CSCCCNC(=O)[C@@H]1CCCN1Cc1ccccn1	854362670	WUWPFBCIDKLYBE-AWEZNQCLSA-N	304.419	1.767	50	20	DDGD	
CSc1nsc(NC(=O)NNC(=O)c2ccncc2)n1	757600995	VBOOBHXUCBILQI-UHFFFAOYSA-N	310.364	1.122	50	20	DDGD	
CCCOc1cccc(C(=O)NNc2ccc(C(N)=O)nn2)c1	757405281	JRWOLMIAAMLSDJ-UHFFFAOYSA-N	315.333	1.121	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H](CC(C)C)C(N)=O)ccc1C	857263767	ARAXZNRNFVBWQH-ZDUSSCGKSA-N	321.377	1.372	50	20	DDGD	
CCOC(=O)N[C@@H](C(=O)NNc1ccnc(Cl)c1)C(C)C	855469074	SDLVGYUKSLXEFS-LLVKDONJSA-N	314.773	1.949	50	20	DDGD	
CCOCCOCCNC(=O)NNc1ccc(Cl)nc1	927532305	WKFVQVBNLUTDEB-UHFFFAOYSA-N	302.762	1.414	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(C=NNC(=O)c2cc[nH]n2)C1	853392798	VNMVLFIJYJCIGZ-BMIGLBTASA-N	319.365	1.382	50	20	DDGD	
CC[C@@H](C)NC(=O)CCNC(=O)NNc1ncc(Cl)cn1	856843241	FMZDYHLHRLQZAK-MRVPVSSYSA-N	314.777	1.061	50	20	DDGD	
CNC(=S)N(C)NC(=O)C1CC(OCc2ccccc2)C1	854924623	LYVQWAMVZAJRNF-UHFFFAOYSA-N	307.419	1.449	50	20	DDGD	
CC(=O)c1ccc(CC(=O)NNC(=O)OCC(F)(F)F)cc1	856025779	ZGOZSCZTFNTGPZ-UHFFFAOYSA-N	318.251	1.751	50	20	DDGD	
N#Cc1ccc(C(=O)NN=C2C(=O)Nc3c(F)cccc32)cc1	753961177	XSQKLDBTURBSEB-UHFFFAOYSA-N	308.272	1.784	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)NCc2ccco2)cc1C	920856608	UOAAGDKTYGUIPQ-UHFFFAOYSA-N	301.346	1.970	50	20	DDGD	
O=C(NC[C@H](C(=O)O)C1CCC1)NNC(=O)c1ccccc1	854238950	QBLVOKXOPFGTNW-LBPRGKRZSA-N	305.334	1.132	50	20	DDGD	
CC(C)N1CCC[C@@H]1C(=O)NNC(=O)c1ccc(Cl)cc1	929169081	JLVVRXZJVRDVLC-CYBMUJFWSA-N	309.797	1.974	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)[C@@H]1CCc2ncncc2C1	856094417	INDAAWFVJQJYJH-SECBINFHSA-N	303.753	1.773	50	20	DDGD	
CC(C)CCn1cc(C(=O)NNC(=O)OCC(F)(F)F)nn1	856021580	QMUUCOQWMDEAJI-UHFFFAOYSA-N	323.275	1.258	50	20	DDGD	
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NNC(=O)CC(C)C	852606608	HIVPFGIGGXLJIW-QWHCGFSZSA-N	305.378	1.928	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1)C1CC1	854180895	QLZBDRKCQDPQLT-LLVKDONJSA-N	319.336	1.126	50	20	DDGD	
O=C1CC[C@@H](CC(=O)NNc2cc(C(F)(F)F)ccn2)CN1	857515038	COEGZKIGGHEHAL-QMMMGPOBSA-N	316.283	1.460	50	20	DDGD	
C[C@H](O)CN(C(=O)NC[C@]1(C)C[C@@H]1Br)C1CC1	856958074	DUSHPYRFBXHISY-PEXQALLHSA-N	305.216	1.715	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1nc2cnccc2s1)C1CC1	855097376	OUORSUXJINHMLV-SSDOTTSWSA-N	321.431	1.599	50	20	DDGD	
CCN(CC)C[C@H](C)NC(=O)NNC(=O)c1cc(C)cs1	858278902	LCBOZIQJSJTDJT-NSHDSACASA-N	312.439	1.731	50	20	DDGD	
C[C@H]1CCC[C@@H](OCC(=O)NNC(=S)NCC2CCC2)C1	855091169	DXEXYEDFGYCRFC-WCQYABFASA-N	313.467	1.877	50	20	DDGD	
CCCC1(C(=O)NN(C)C(=S)NCCCOC)CCC1	854282573	MJNUBYBFHCABIK-UHFFFAOYSA-N	301.456	1.831	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(C)cc1OCC(=O)N(C)C	756201882	CVRGSWMQTRGIKB-UHFFFAOYSA-N	322.365	1.025	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2cn(C)nc2C(F)F)c1	862478790	QLSGPMMBAUSMKX-UHFFFAOYSA-N	314.317	1.802	50	20	DDGD	
C[C@H](NNC(=O)Cc1nnc(O)c2ccccc12)C(F)(F)F	862305095	VYLRPXKQCHPBMB-ZETCQYMHSA-N	314.267	1.450	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(OC(C)(C)C)cc1	863152958	JRSMNILNXMIJAH-AWEZNQCLSA-N	317.389	1.983	50	20	DDGD	
Cc1nc(-c2ccc(NCc3ccc(B(O)O)cc3)cc2)n[nH]1	864030725	ONSAJSIACPLPJD-UHFFFAOYSA-N	308.150	1.072	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)C[C@@H]1CCCC(=O)N1	862289169	WMTCEYFRODKGTQ-ZDUSSCGKSA-N	319.361	1.345	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](C(=O)NNC(=O)NCC(F)(F)F)CCO1	935802837	PVLYNRHOASXCDZ-IUCAKERBSA-N	311.304	1.330	50	20	DDGD	
CN(CC(=O)NNc1cnnc2ccccc12)[C@H]1CCSC1	764261093	KHKOBHVIEFPTHT-NSHDSACASA-N	317.418	1.510	50	20	DDGD	
CCC(=O)N[C@H](CCSC)C(=O)NN[C@@H](C)C(F)(F)F	862310227	SBTJTELRVQKVRX-JGVFFNPUSA-N	315.361	1.206	50	20	DDGD	
Cc1nc(-c2ccc(C(=O)NN[C@H](C)C(F)(F)F)cc2)n[nH]1	862313624	LCRGQLJSIHFOOM-SSDOTTSWSA-N	313.283	1.965	50	20	DDGD	
COC(=O)c1[nH]c(C)c(C(=O)NN[C@@H](C)C(F)(F)F)c1C	862315439	VRSJEKKKJNBLOT-ZETCQYMHSA-N	307.272	1.603	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)C2CCN(C3CC3)CC2)c1	862479285	JKMDRBBIXUGPBM-UHFFFAOYSA-N	307.419	1.692	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CN(C)C2CCC2)c1C	863931170	JSNRGDVRSYJSSP-UHFFFAOYSA-N	305.378	1.709	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NC1CC1)c1ccc([N+](=O)[O-])cc1F	762583546	AGJBCMNGROSJGP-UHFFFAOYSA-N	324.312	1.504	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@H](O)c1ccccc1Cl	764632302	KDSVWUSSIFFPSF-GFCCVEGCSA-N	307.737	1.173	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1cncc(C)c1	767366017	CXVTWFHIQZXSTF-ZDUSSCGKSA-N	304.394	1.199	50	20	DDGD	
CS(=O)(=O)c1ccc(NC(=O)NN=C2CC[C@@H]3C[C@H]23)cc1	872354411	SOGALHDMJSWKTC-SKDRFNHKSA-N	307.375	1.998	50	20	DDGD	
C=CCNC(=O)c1ccc(NC(=O)NN(C)CCOC)cc1	878371149	SSGHTSSCZIEBSC-UHFFFAOYSA-N	306.366	1.217	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@@H]2CC23CCC3)cc1	876423071	MMIKSGYNKYGMMF-CYBMUJFWSA-N	303.362	1.971	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@H]2CCc3cc(O)ccc3C2)cc[nH]1	875536246	RBBWBARRADCXII-AWEZNQCLSA-N	312.373	1.701	50	20	DDGD	
C[C@@H](CBr)COC(=O)[C@@H]1CCCN(C(N)=O)C1	770317969	LRMZINCNSFWKFA-DTWKUNHWSA-N	307.188	1.351	50	20	DDGD	
CC[C@H](C)n1nc(C(=O)NNC(=O)NCCCOC)cc1C	778246070	NJINVNHIHYJSMA-JTQLQIEISA-N	311.386	1.143	50	20	DDGD	
C=CCSc1ccccc1C(=O)NNC(=O)NCCCOC	777240531	OTCNXXGOEQUPIR-UHFFFAOYSA-N	323.418	1.945	50	20	DDGD	
CCN(CC)[C@H](CNC(=O)NN(C)C(=O)OC)c1ccccc1	875004897	XRFBWHZYDTXDQQ-CQSZACIVSA-N	322.409	1.982	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)COc1ccccc1O	772866883	NQWNUHSNQZGUKI-UHFFFAOYSA-N	302.334	1.828	50	20	DDGD	
COCC(=O)NN=Cc1c(C)ccc(Br)c1F	872356879	GPVLJNVRCVWIPS-UHFFFAOYSA-N	303.131	1.993	50	20	DDGD	
COc1cccc2c1OCCCC2=NNC(=O)c1cnccn1	872340499	CTBAPSXQHOJINQ-UHFFFAOYSA-N	312.329	1.792	50	20	DDGD	
CCC(=NNC(=O)[C@H](C)OCCOC)c1ccc(C#N)cc1	773058293	MNCWKAZUFOILQK-LBPRGKRZSA-N	303.362	1.840	50	20	DDGD	
Cc1c(C(=O)NCCCSC#N)cnn1-c1ccccn1	773593265	HHQGIVITLLSXEG-UHFFFAOYSA-N	301.375	1.910	50	20	DDGD	
CN(NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)C(N)=O	778412593	RPMJXYWZVASVPJ-UHFFFAOYSA-N	310.741	1.122	50	20	DDGD	
O=C(NN=Cc1ccc(O)c(C(=O)O)c1)c1ccc(O)cc1	777419189	VKVMKBDJMDTYGO-UHFFFAOYSA-N	300.270	1.560	50	20	DDGD	
CO[C@H](C(=O)NNc1ccccc1S(C)(=O)=O)C(C)C	771415825	OGMCCVSAGNHUFB-LBPRGKRZSA-N	300.380	1.204	50	20	DDGD	
Cn1ncc(Cl)c1C=NNC(=O)[C@@H]1COc2ccccc2O1	780188927	QLTGQMJBHOVXQM-ZDUSSCGKSA-N	320.736	1.364	50	20	DDGD	
O=C(CC(F)(F)F)NN=C1CCOC[C@@H]1CN1CCCCC1	787154516	VTWYGLUQJURFRF-NSHDSACASA-N	321.343	1.933	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)Nc1ccn(Cc2ccccn2)n1	782044753	AXUUDDCLTLWLQN-UHFFFAOYSA-N	309.333	1.292	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)Nc1ccc2c(c1)OCCCO2	782012707	RZMWFJUOIUYDIZ-UHFFFAOYSA-N	300.318	1.813	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2ccc(C#N)cc2)cc1	783039356	NVHQIRYUJQTZPG-UHFFFAOYSA-N	310.313	1.649	50	20	DDGD	
CC(C)(O)CCC(=O)NNc1ccnc(Br)c1	787529882	HJXUMDBIKATXPH-UHFFFAOYSA-N	302.172	1.838	50	20	DDGD	
CC1(C)CC(CNC(=O)NNC(=O)c2cccc(C#N)c2)C1	780878597	WOBDZETUYSIFAA-UHFFFAOYSA-N	300.362	1.938	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@H](C)N2CCCCC2)nc1	781002035	XFADVTCRTXITEN-LBPRGKRZSA-N	307.398	1.591	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)C2(OC)CCC2)cc1	782114591	NPGQEKYKPQPEEK-UHFFFAOYSA-N	323.418	1.972	50	20	DDGD	
C[C@@H]1CCN(CCNC(=O)NC[C@@]2(C)C[C@H]2Br)C1	895924146	RLCTYWXIJTWYBR-NQBHXWOUSA-N	318.259	1.801	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H]2CCCC(=O)N2C)ccc1C	899138720	WKCVMFVFZZBROQ-CYBMUJFWSA-N	319.361	1.236	50	20	DDGD	
CC(=O)N1CCC[C@@H](CNC(=O)NNc2ccc(F)cc2)C1	793307431	CATDHTVFUFCNCN-LBPRGKRZSA-N	308.357	1.710	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2cc(Cl)c3c(c2)OCO3)CC1	790179308	VSKDAORNMPIGAJ-UHFFFAOYSA-N	324.768	1.360	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cncc(OC)n1	790850131	XMOFMAJRQQQYAI-UHFFFAOYSA-N	302.290	1.029	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2cnc([C@@H]3CCCO3)s2)CC1	790175330	ZBGGYJUXEWOQNX-LBPRGKRZSA-N	323.422	1.286	50	20	DDGD	
C#CCOc1ccc(/C=C(/C#N)S(N)(=O)=O)cc1OCC	799894464	VWWFMNGHCQUJNV-WQLSENKSSA-N	306.343	1.250	50	20	DDGD	
CO[C@@H]1CCOc2c(NC(=O)NNC(=O)C3CC3)cccc21	790570901	COUDVCTUSXZPEE-GFCCVEGCSA-N	305.334	1.719	50	20	DDGD	
C[C@@H](Oc1ccc(C=O)cc1)C(=O)NNC(=O)c1ccccn1	794720760	HWVOAWNFROSORE-LLVKDONJSA-N	313.313	1.123	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2nccn2-c2ccccc2)n[nH]1	790155809	SDOCXCWYALCGJP-UHFFFAOYSA-N	308.345	1.597	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)Cn1ccc2ccccc21	799932441	PHTZFLDGSYHZQF-HWWQOWPSSA-N	315.373	1.602	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1cccc(OCCC(=O)O)c1	794957784	GZWACIMNZSMLKX-LCYFTJDESA-N	324.358	1.296	50	20	DDGD	
O=C(NN=C1CCCc2nc(O)ccc21)c1ccc(O)c(O)c1	794557335	XZZXDPBJHPQDGQ-UHFFFAOYSA-N	313.313	1.669	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cncc(F)c2)cc1	799260167	KNHNMRBJJARYSN-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1c(C)nc2sccn12	1317732416	YWZYTGGMNWAFRZ-UHFFFAOYSA-N	316.390	1.819	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)CNc2ccccc2F)s1	1319704999	BYWXITNQPYPTLW-UHFFFAOYSA-N	321.381	1.910	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)Nc2cnns2)cc1Cl	1320761001	PGIGCWBFORDHBH-UHFFFAOYSA-N	322.737	1.145	50	20	DDGD	
Cn1nc2ccccc2c1C(=O)NNC(=O)c1ccccc1O	1321407715	AQGLDUDTSLKRCY-UHFFFAOYSA-N	310.313	1.354	50	20	DDGD	
CCCC[C@@](C)(F)C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1328100547	GEGKMMMZVYVAIW-OAHLLOKOSA-N	310.373	1.968	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)c2n[nH]c3c2CCCC3)[nH]1	1323495213	COJPRAXHRDALAE-UHFFFAOYSA-N	315.333	1.167	50	20	DDGD	
Cc1c(C#N)cccc1C(=O)NNC(=O)c1ccc2c(c1)OCO2	1325234811	XHDMLULGTNBHKY-UHFFFAOYSA-N	323.308	1.670	50	20	DDGD	
CC(C)[C@@H]1CCC[C@H](NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)C1	1328129910	AHRGDGIUYVHKKP-RFQIPJPRSA-N	311.426	1.957	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(OC)cc2[N+](=O)[O-])nn1C	1254437889	CLOASHPZUNLSTH-UHFFFAOYSA-N	319.321	1.656	50	20	DDGD	
CCOCc1ccc(NC(=O)NNC(=O)c2cc(C)[nH]n2)cc1	1254730206	QYSQOMFQOJRGTI-UHFFFAOYSA-N	317.349	1.721	50	20	DDGD	
CC(C)(C)N1CCN(C(=O)NNC(=O)c2ccccc2)CC1	1338562135	PZEBMHUCTIRGGP-UHFFFAOYSA-N	304.394	1.457	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1c(C)cccc1CC	1337761834	LEYWALVOKFSWJW-UHFFFAOYSA-N	315.373	1.447	50	20	DDGD	
CC(C)[C@H]1C[C@@H](C(=O)NNC(=O)CNc2ccccc2)CCO1	1333627868	ANORTVMNRZFICN-DZGCQCFKSA-N	319.405	1.697	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2c[nH]c3cnccc23)n1	1261257702	DJMJYZMPNWTYBO-UHFFFAOYSA-N	312.333	1.356	50	20	DDGD	
O=C(O)COc1ccccc1C=NNC(=O)C1CCOCC1	1262038328	HXXIVWATYBIRRK-UHFFFAOYSA-N	306.318	1.027	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1ccccc1Cl)n1ccnc1	1349522209	PBGWAZPFNQJRQV-SNVBAGLBSA-N	306.753	1.949	50	20	DDGD	
CC1CC(NC(=O)C(=O)NC[C@]2(C)C[C@H]2Br)C1	1351173096	BKUQUUJXIPQJCJ-LZKOWZHPSA-N	303.200	1.191	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@H](O)CCc2ccccc2)c1	1602446586	AQCPTYHXQQXMOV-OAHLLOKOSA-N	314.341	1.822	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@H]1CC[C@H]1C(=O)O	1601562167	VYACDMVOEVUQBY-VHSXEESVSA-N	302.290	1.291	50	20	DDGD	
COc1nccc(NC(=O)NNc2cccc(C(=O)O)c2C)n1	1607361649	ZDDOSQLCSJUGFI-UHFFFAOYSA-N	317.305	1.640	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=CCC(C)(C)C(=O)O	1600729781	AEAZODAZDKXKPH-UHFFFAOYSA-N	302.334	1.859	50	20	DDGD	
Cc1c(NNC(=O)[C@H](NC(N)=O)C(C)(C)C)cccc1C(=O)O	1600051202	QRVBGGNFCKSDAT-NSHDSACASA-N	322.365	1.219	50	20	DDGD	
Cn1cc(C(C)(C)C(=O)NNc2cccc(F)c2C(=O)O)cn1	1600940292	XHFWTZGYGYIDIV-UHFFFAOYSA-N	320.324	1.678	50	20	DDGD	
COc1cc(F)cc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)c1	1549314209	JSTSZNHERLQBRM-ZFWWWQNUSA-N	321.352	1.148	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)CC[C@@H]1CCCO1	1610287180	DGUBRBHPQFTEJB-NSHDSACASA-N	308.334	1.796	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Cc2ccc(C(=O)O)cc2)n1	1610457637	QGKXBEOJFQBVOZ-UHFFFAOYSA-N	300.318	1.477	50	20	DDGD	
COC(=O)CN1CCCN(C(=O)C2CCC(Cl)CC2)CC1	1548651901	MQLCEYFFVXQPAI-UHFFFAOYSA-N	316.829	1.491	50	20	DDGD	
COc1ccc(NNC(=O)C#CC2CCNCC2)c([N+](=O)[O-])c1	1579230268	CXQKVHFBJGCYAQ-UHFFFAOYSA-N	318.333	1.050	50	20	DDGD	
CCN[C@H](C)C(=O)NNC(=O)CSc1ccc(Cl)cc1	1577806631	HGOWLFAKIKPBAZ-SECBINFHSA-N	315.826	1.578	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cnc(C)[nH]2)C1	1841715511	YGOUASIEOVUIEG-LLVKDONJSA-N	324.812	1.553	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)c1	1594407967	XTQBZHVQZKRTQN-WDEREUQCSA-N	321.402	1.814	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)CCC(=O)O	1593640002	GNFCVCBDBVMPGV-UHFFFAOYSA-N	309.391	1.740	50	20	DDGD	
O=C(NCC=C(Cl)Cl)NNc1ncccc1C(=O)O	1594762364	LGJGGFOOVNQWFI-UHFFFAOYSA-N	305.121	1.725	50	20	DDGD	
CCc1cnc(CC(=O)NNc2ccc(C(=O)O)cc2F)[nH]1	1597627479	LYARVILDDMIUIT-UHFFFAOYSA-N	306.297	1.495	50	20	DDGD	
COc1ccc(C(=O)NN[C@H](C(=O)O)c2ccccc2)cc1	1599483905	LJHWFYJCWDVHAV-AWEZNQCLSA-N	300.314	1.756	50	20	DDGD	
O=C(NNC(=O)[C@@]1(C(=O)O)C[C@H]2CC[C@H]1C2)OCC(F)(F)F	1594778816	AUXSDKYDAJBXOX-OKTBNZSVSA-N	324.255	1.197	50	20	DDGD	
O=C(NNC(=O)[C@]1(C(=O)O)C[C@H]2CC[C@H]1C2)c1ccccc1O	1594778928	DMKJDNKSVRPSBY-PUTJDCORSA-N	318.329	1.044	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCC(C(=O)O)CC2)o1)C(F)F	1594779302	PSBSNRLFNFYBEG-UHFFFAOYSA-N	315.276	1.296	50	20	DDGD	
O=C(NN=Cc1cccc(F)c1C(=O)O)c1ccc(O)nc1	1776094701	HGJTYLMBRBHKAH-UHFFFAOYSA-N	303.249	1.388	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NN=Cc1ccc(CCC(=O)O)o1	1776098745	WMVYHKGLROXYOM-ZDUSSCGKSA-N	321.377	1.620	50	20	DDGD	
CC[C@@H](C)Oc1ccc(NC(=O)NNC(=O)CN(C)C)cc1	158309088	VQQHYGYHZBOZFA-LLVKDONJSA-N	308.382	1.578	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1)N(C)C	152574568	QPRWMBRRZVGGJH-LLVKDONJSA-N	321.406	1.239	50	20	DDGD	
COCCC1(C(=O)NNC(=O)COc2ccc(C)c(C)c2)CC1	156728638	ANMYVWPRRPHARH-UHFFFAOYSA-N	320.389	1.646	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](C(C)C)N2CCCC2=O)nc1	159311865	WOFBKAHFCNHCAA-AWEZNQCLSA-N	306.366	1.180	50	20	DDGD	
O=S(=O)(CBr)N1CCC(CCCO)CC1	400964840	HEUXIBQGWOTQQK-UHFFFAOYSA-N	300.218	1.153	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)[C@H]1COc2ccccc2O1)C1CC1	54871213	IZYLTHLGLSTANF-QQBNSCQMSA-N	302.330	1.330	50	20	DDGD	
CC(C)(C)C[C@@H](O)CNC(=O)NNC(=O)c1ccc(C#N)cc1	172287868	TZUGDNRCHXPNGF-CYBMUJFWSA-N	318.377	1.299	50	20	DDGD	
CC(C)c1nc(CCNC(=O)NNC(=O)c2ccc[nH]2)cs1	102574508	KAKHHMQRRYDDQM-UHFFFAOYSA-N	321.406	1.781	50	20	DDGD	
CCCC[C@H](CC)CC(=O)NNC(=O)CNC(=O)c1ccco1	117139360	GAJGZGCLNKYGMN-LBPRGKRZSA-N	323.393	1.763	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2ccc(F)c(F)c2)n1	118973604	PUIHPIYYWQROHN-UHFFFAOYSA-N	323.303	1.631	50	20	DDGD	
O=C(NCC1CC1)NNC(=S)Nc1ccc2c(c1)OCCO2	64937150	VJRDWEJXUVBYON-UHFFFAOYSA-N	322.390	1.368	50	20	DDGD	
CN1CCN(CC(=O)NNc2cccc(C(F)(F)F)c2)CC1	111557903	UEQXPNLRHGRWKR-UHFFFAOYSA-N	316.327	1.396	50	20	DDGD	
CCCc1[nH]nc(C(=O)NNC(=O)c2ccc(C)o2)c1[N+](=O)[O-]	176217133	WMGXJGUUWZYXSD-UHFFFAOYSA-N	321.293	1.247	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCCc2cccs2)cc1	65204433	YHYXTQHLTBDPJZ-UHFFFAOYSA-N	314.370	1.806	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2nccnc2Cl)C1	175237961	FJQCFNBBBIOOBR-RKDXNWHRSA-N	312.757	1.553	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNC(=O)c1cccc2ncccc12	171530360	RIFXZEZFWKLKFO-ZHACJKMWSA-N	310.313	1.440	50	20	DDGD	
CN1CCc2cc(/C=C(/C#N)C(=O)NC[C@@H]3CCCO3)ccc21	129714644	SAPJXCVOTHBJMI-IZNAZMGOSA-N	311.385	1.881	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(C(F)(F)F)nn2)n(C)n1	124309355	FIAZWTBFUURQHD-UHFFFAOYSA-N	300.244	1.294	50	20	DDGD	
CC(C)c1ccccc1NC(=O)C(=O)NNC(=O)C(C)(C)C	180968372	RSQZFHQKHBGJSZ-UHFFFAOYSA-N	305.378	1.942	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1ccc[nH]1)c1c(C)noc1C	123658115	AJIMKNDCZFDLFB-SNVBAGLBSA-N	305.338	1.715	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)NC1CCCCC1	79142571	ZNZGQDROHCWHFT-UHFFFAOYSA-N	315.377	1.540	50	20	DDGD	
Cc1nn(C(F)F)c(C)c1CC(=O)NNC(=O)C(C)(C)C	124608257	OQPRRVSDCSMTQK-UHFFFAOYSA-N	302.325	1.631	50	20	DDGD	
O=C(NNc1ccc(F)cc1)C(=O)Nc1cnc(C2CC2)nc1	181386622	UKCYJABLLZDNNT-UHFFFAOYSA-N	315.308	1.575	50	20	DDGD	
C[C@@H]1CCc2[nH]c3ccc(C(=O)NNC(=O)CO)cc3c2C1	180963800	QZFJVMRRQPJKEV-SECBINFHSA-N	301.346	1.046	50	20	DDGD	
CCn1cc(NC(=O)C(=O)NNc2cccc(F)c2)ccc1=O	120829820	MGFDMIIAZJPQAK-UHFFFAOYSA-N	318.308	1.089	50	20	DDGD	
CCOCC(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1	125059906	FNRWRCKHRGQDEJ-GFCCVEGCSA-N	316.357	1.791	50	20	DDGD	
CC(=O)Nc1ccc(Cl)c(C(=O)NNc2cnccn2)c1	126062947	ADZLHGQDRGYMKB-UHFFFAOYSA-N	305.725	1.845	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cn(Cc2ccccc2)nn1	77220059	GTXBUACXKLCLOV-UHFFFAOYSA-N	301.350	1.134	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CSc2ccccc2O)co1	188957233	JOLPVJIFASMGQZ-UHFFFAOYSA-N	306.343	1.847	50	20	DDGD	
COc1cccc(NNC(=O)c2cnn(C)c2-n2cccc2)n1	180723482	IXMLEFIHVHBVIP-UHFFFAOYSA-N	312.333	1.371	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@H](C)C(C)C	186062736	INSWBEXIDHUSIJ-SNVBAGLBSA-N	314.407	1.834	50	20	DDGD	
COC1(CNC(=O)NNC(=O)c2ccc(C)o2)CCCCC1	185912127	RMBGIIFVXHGSRC-UHFFFAOYSA-N	309.366	1.881	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1ccc(C)s1	71822108	QOUMZIWCRHCJQT-UHFFFAOYSA-N	319.386	1.938	50	20	DDGD	
CC(=O)CCc1ccc(OCC(=O)NNC(=O)C(C)(C)C)cc1	130485677	XARJUVQSTLKJBU-UHFFFAOYSA-N	320.389	1.781	50	20	DDGD	
Cc1csc(=O)n1CCC(=O)NNc1ccc([N+](=O)[O-])cc1	134118260	KXIUOGNCJXFFIQ-UHFFFAOYSA-N	322.346	1.660	50	20	DDGD	
Cc1cccc(NC(=O)NCC(=O)NNC(=O)C(C)(C)C)c1	130856419	DEKFVMVFWSUJDP-UHFFFAOYSA-N	306.366	1.310	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1C[C@@H]2CCC[C@H]2C1	138342128	AJHDWKJSNMWUGI-HOTGVXAUSA-N	315.417	1.417	50	20	DDGD	
CCCC[C@@H](NNC(=O)COc1ccc(F)cc1)C(=O)OC	135137563	CLEKISODUGEVQW-CYBMUJFWSA-N	312.341	1.557	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21	130526159	BPYVKEMBEUUKBY-ZQDZILKHSA-N	315.373	1.224	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)C(=O)c2ccccc2)c1	194030111	DOCFLKXAZOIDPS-UHFFFAOYSA-N	311.341	1.397	50	20	DDGD	
C=CCC1(C(=O)NNC(=O)COc2ccccc2OC)CCC1	190468755	RZZMFXCXTZNPOH-UHFFFAOYSA-N	318.373	1.968	50	20	DDGD	
O=C(C[C@H]1CCCOC1)NNc1nc2ccccc2c(=O)[nH]1	192889364	KEJLAMYKSMBWKD-SNVBAGLBSA-N	302.334	1.183	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@H]1CCCCN1C(=O)c1cccs1	194922641	KUILJBHJYOFUEE-SNVBAGLBSA-N	324.406	1.045	50	20	DDGD	
C=CCN1C(=O)C(=NNC(=O)c2ccncc2)c2ccccc21	252461102	KMHJZYAMRAQRIM-UHFFFAOYSA-N	306.325	1.748	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1cccc(OCC(N)=O)c1	264254985	ZHEMVDHYKIFWNQ-UHFFFAOYSA-N	322.365	1.140	50	20	DDGD	
CCCN(CCC)CCCC(=O)NNC(=O)Cc1ccccn1	264345264	BCXMQFKGZNXQLM-UHFFFAOYSA-N	320.437	1.674	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cocn2)cc1	264312978	VKWFOHUMDRACRF-JTQLQIEISA-N	319.317	1.302	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)C(C)(C)c1ccccc1)C1CC1	269659283	JCOAAVSGSGGNOD-CQSZACIVSA-N	319.405	1.720	50	20	DDGD	
CN(CC(=O)NNc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C	264007098	ACHIBNWJZWITTJ-UHFFFAOYSA-N	324.337	1.905	50	20	DDGD	
COc1ccc([C@@H](C)NC(=O)NNC(=O)c2cnn(C)c2)cc1	265454087	XGGQINPUVVGPHV-SNVBAGLBSA-N	317.349	1.134	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CC23CCOCC3)c(O)c1	365789686	ZHGZJOSLCBCHJQ-LBPRGKRZSA-N	304.346	1.278	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H]1CCc2nccn2C1	364717577	KKIZXMBDTQJCAY-SNVBAGLBSA-N	317.301	1.968	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2CCC(=O)[C@@H](C)C2(C)C)n1	275806862	QBIMREJCMBEQQN-GHMZBOCLSA-N	320.393	1.878	50	20	DDGD	
CC(C)(C)CNC(=O)NNC(=O)CSc1ccccc1O	270668394	VSOMYANYLGCOLG-UHFFFAOYSA-N	311.407	1.861	50	20	DDGD	
CC[C@@H]1CN(C(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)C[C@H]1O	270603287	YTEOJOUZQUJREI-PMEKJYOCSA-N	312.373	1.341	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1cnc2n1CCCC2	372149878	LSTDAUCDVAQBSU-UHFFFAOYSA-N	312.373	1.613	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)c2ccncc2)c1CC	277186632	ULGOYWOWIYSSLT-UHFFFAOYSA-N	315.377	1.715	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1nc(CC)n(-c2ccccc2)n1	272697800	SHTRKQIEBNKQFV-UHFFFAOYSA-N	316.365	1.136	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H]1CCC[C@H]1CCO	275462776	YYHJIEQHBHSZGF-WCQYABFASA-N	321.377	1.190	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2cccc(F)c2Cl)CC1	288025770	QJJHCGXRIWAJAW-UHFFFAOYSA-N	314.748	1.081	50	20	DDGD	
O=C(NNc1ncccc1F)[C@H]1COCCN1C1CCCC1	285923549	JBLPGGPZOYSOHQ-CYBMUJFWSA-N	308.357	1.307	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)N[C@@H](C)CS(C)(=O)=O	282526802	VPUUBLNGLJKOKE-NSHDSACASA-N	313.423	1.617	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCOC2CCCCC2)n1	280055379	WKHPECQWKZAOPI-UHFFFAOYSA-N	320.393	1.683	50	20	DDGD	
COCCN(C)NC(=O)c1c[nH]nc1-c1c(F)cccc1F	288499576	UGCJYMKFRCIYDY-UHFFFAOYSA-N	310.304	1.578	50	20	DDGD	
C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)NNC(=O)c1ccccc1	286810500	VNLYUBCPTJTEBK-UKRRQHHQSA-N	316.405	1.600	50	20	DDGD	
CC(C)[C@@H](O)C(=O)NNC(=O)c1cccc(Br)c1	285531167	BRXDFFCXEPSGLB-SNVBAGLBSA-N	315.167	1.227	50	20	DDGD	
O=C(Cc1ccccc1CO)NNc1ccc2c(=O)[nH]ccc2c1	803438159	FQOIMTQWZYXBPN-UHFFFAOYSA-N	323.352	1.706	50	20	DDGD	
COC(=O)NNC(=O)C1(Cc2cccc(F)c2)CCOCC1	295287673	WTXCKXCNORUPFH-UHFFFAOYSA-N	310.325	1.552	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)C1(C(C)=O)CC1	293102244	PNHOWTDLGFJYEM-UHFFFAOYSA-N	310.737	1.479	50	20	DDGD	
CC(C)(C(=O)NNc1cnccn1)c1ccc2c(c1)OCO2	293584735	UTJXOJQBFGJAEC-UHFFFAOYSA-N	300.318	1.626	50	20	DDGD	
CN1[C@H]2CC[C@H]1CC(NC(=O)NNc1ccc(Cl)nc1)C2	297501279	MNYYYCUKZOGPRU-RYUDHWBXSA-N	309.801	1.986	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2cc(C)cc(C)n2)c1	801083169	QBXNMWKUPSQCMO-UHFFFAOYSA-N	313.357	1.847	50	20	DDGD	
Cc1c([C@H](C)NC(=O)NNc2ncc(F)cc2F)cnn1C	296925817	AUWJOLOGVFXIKZ-ZETCQYMHSA-N	310.308	1.789	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)CCc2ccccc2O)no1	294811338	FVZQUPOHUOJZNF-UHFFFAOYSA-N	317.345	1.727	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCCO1)C(=O)NNc1ncc(F)cc1F	297025886	SSWXSNUPVWMRNA-KOLCDFICSA-N	315.320	1.777	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@@H]1c1cccnc1	805749479	YEZMUGHFGCTFGO-CYBMUJFWSA-N	304.394	1.412	50	20	DDGD	
COc1cnc2ccccc2c1C(=O)NNC(=O)c1cccn1C	801651846	GXTIMZPPRBJBLS-UHFFFAOYSA-N	324.340	1.657	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1ccc2c(c1)CCCC2=O	295426268	YQBZBAUAJMQRIC-UHFFFAOYSA-N	324.402	1.561	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)OCC(C)C)cc1	801107150	NQYYYUFVYYVTEJ-GFCCVEGCSA-N	321.377	1.142	50	20	DDGD	
O=C(NNc1ncccc1F)Nc1cnn(-c2ccccc2)n1	806381615	JSVXWIFNHPYGFE-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
CC(C)Oc1ncccc1CNC(=O)NNc1ncncc1F	814284249	SOPUOPDLSNDXTM-UHFFFAOYSA-N	320.328	1.624	50	20	DDGD	
Cn1c(CC(=O)NN=C2CC(C(=O)O)C2)nc2ccccc21	814738106	RABSPBJSGSVJRB-UHFFFAOYSA-N	300.318	1.083	50	20	DDGD	
Cc1nnc(NNC(=O)Cc2cccc(Cl)c2F)nc1O	810006575	MSPOGYLPALGPCA-UHFFFAOYSA-N	311.704	1.364	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc(O)ccc2Cl)n1	811479310	DSRMMQXBBVFUMW-UHFFFAOYSA-N	305.721	1.824	50	20	DDGD	
CO[C@H]1CCC[C@H](C(=O)NNC(=O)Cc2ccc(F)cc2)C1	814368443	DKJPIMDOOQAPIM-JSGCOSHPSA-N	308.353	1.721	50	20	DDGD	
CN(NC(=O)[C@H](c1ccccc1)N1CCCCC1=O)C1CC1	819647201	JQIWQHYISLMQHA-INIZCTEOSA-N	301.390	1.866	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)N=c2cc[nH]cc2)ccc1O	813574184	PCAXPAXDCSQCIX-UHFFFAOYSA-N	300.318	1.238	50	20	DDGD	
COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NNc2cnnn2C)c1	816770610	FIEVJBIRZJVBMT-JQWIXIFHSA-N	317.349	1.079	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)CNc2ccccc2F)n1C	811631272	RSDWTSBZXXPFQG-UHFFFAOYSA-N	318.356	1.187	50	20	DDGD	
C=CCN1C(=O)C(=NNC(=O)Cc2cc[nH]n2)c2ccccc21	814954632	JGAMPBDDHNSPTR-UHFFFAOYSA-N	309.329	1.005	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)[C@H]2CCCCO2)cc(C)n1	817170501	FUOUULKSGUUYBF-CYBMUJFWSA-N	306.366	1.098	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2cnn(CC(F)F)c2)n1	814216680	BHHLSMUTRHESFM-UHFFFAOYSA-N	313.333	1.606	50	20	DDGD	
Cn1cc(C(=O)NN=C2CCCc3cc(C(=O)O)ccc32)cn1	814852132	LJYCIUVDSZDGEX-UHFFFAOYSA-N	312.329	1.589	50	20	DDGD	
C=CCCn1cc(C(=O)NNC(=O)Cc2ccccc2C)nn1	819389516	MYHTUKDEKMZXQH-UHFFFAOYSA-N	313.361	1.166	50	20	DDGD	
CCc1c(C(=O)NNc2nc(-c3ccncc3)no2)ccn1C	810312571	YALVMPMMIODANL-UHFFFAOYSA-N	312.333	1.789	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)CCc1cccs1	811682620	CDQPXYYIZHXQAG-UHFFFAOYSA-N	304.437	1.677	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(OC)nc2ccccc12	823756016	QWIDOLWBRQNTGO-UHFFFAOYSA-N	316.361	1.988	50	20	DDGD	
Cc1cccc(N2C[C@H](C(=O)NN(C)[C@H](C)CO)CC2=O)c1C	823982540	AIBWJXXRLCOMJN-TZMCWYRMSA-N	319.405	1.000	50	20	DDGD	
CCN(C)[C@@H](C(=O)NNC(=O)CC(F)(F)F)c1ccccc1	728601425	DICLRPGMAPTWCE-GFCCVEGCSA-N	317.311	1.779	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1ccccc1Cl	825535017	XSZVANUCHQGCIX-GXSJLCMTSA-N	311.769	1.595	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)C2(Br)CC2)n1	823694344	BEQZUSDVWZDYHB-UHFFFAOYSA-N	305.563	1.809	50	20	DDGD	
CCc1ccc([C@H](CNS(=O)(=O)CCl)N(C)C)cc1	829728553	LCWITTCDXDSHLI-ZDUSSCGKSA-N	304.843	1.967	50	20	DDGD	
C/C=C\C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12	824567685	PLAITBIHHVGKEY-DAXSKMNVSA-N	314.345	1.315	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1cccc(C(=O)OC)n1	821028149	PJYAIQGRCSXCQM-ZRDIBKRKSA-N	317.345	1.318	50	20	DDGD	
CCCONC(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	828318520	QQTNEQDTJZPNGZ-SECBINFHSA-N	315.757	1.779	50	20	DDGD	
Cc1ccc(-c2cnc(CCC(=O)NN(C)[C@@H](C)CO)o2)cc1	823983448	UQFGEEHDPZJFFW-ZDUSSCGKSA-N	317.389	1.926	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C	726616951	XJWIUAICXJGMMS-NEPJUHHUSA-N	312.414	1.152	50	20	DDGD	
CCCCC(=O)N1CSC[C@H]1C(=O)NNC(=O)CC(C)C	728019661	GBVBPBJBZCTRLA-NSHDSACASA-N	315.439	1.272	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CC(=O)Nc1cccc(B(O)O)c1	584913283	SIRGCZMQOHDVDM-SECBINFHSA-N	302.139	1.104	50	20	DDGD	
Cc1nc(C(=O)NNC(=S)NCCc2cccs2)co1	820171276	KTKCOKSIALRKGV-UHFFFAOYSA-N	310.404	1.396	50	20	DDGD	
CC[C@@H](NC(=O)c1cccc(B(O)O)c1)c1nc(C)cs1	584942364	TYZVFTCZZOCZGW-GFCCVEGCSA-N	304.180	1.012	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)N=c2cc[nH]cc2)c1	726872163	ZCVDGGRLASIFRG-UHFFFAOYSA-N	301.375	1.835	50	20	DDGD	
Cc1oc(Br)cc1C(=O)N1CC[C@H](B(O)O)C1	585065488	YJOCKNRSXDBUSE-ZETCQYMHSA-N	301.933	1.039	50	20	DDGD	
CCOc1c(Cl)cc(C(=O)NN(C)[C@@H](C)CO)cc1OC	823987406	HSQYKVAEYKGNMC-VIFPVBQESA-N	316.785	1.705	50	20	DDGD	
Cc1ccc(F)c(C=NNC(=O)Cc2cc(O)nc(S)n2)c1	734978308	CLHZAXBWZUPEJM-UHFFFAOYSA-N	320.349	1.611	50	20	DDGD	
CC[C@@H](OC1CCCCC1)C(=O)Nc1cccc(B(O)O)c1	584911879	ISYSVMIYQZSKMB-OAHLLOKOSA-N	305.183	1.433	50	20	DDGD	
COC[C@@H](SCC(=O)NNC(=O)C1CC1)c1ccccc1	901659939	APVACLMAGRQHPH-CYBMUJFWSA-N	308.403	1.665	50	20	DDGD	
COCCOc1cccc(CC(=O)NNC(=O)OC(C)(C)C)c1	493754225	GCZWFAFWQFZWGP-UHFFFAOYSA-N	324.377	1.810	50	20	DDGD	
CCCCc1oc2ccccc2c1/C=C/C(=O)NCB(O)O	585057601	HNYJMXYOCPLATC-MDZDMXLPSA-N	301.151	1.917	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1	830757274	LJJYUIWSCSMIOJ-VXGBXAGGSA-N	301.306	1.575	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NC[C@@H]1CCCC[C@H]1O	491101022	CJXLTYNSDNEPDZ-RZKBWPFVSA-N	300.358	1.966	50	20	DDGD	
CC(C)Cc1c[nH]c(C(=O)NNC(=O)Cc2cccnc2)c1	839653882	ISVREPQOLHXVGI-UHFFFAOYSA-N	300.362	1.612	50	20	DDGD	
CC(C)CC(=O)NCCC(=O)NNc1ncc(F)cc1F	837205871	FQFCYWOYNQGXDU-UHFFFAOYSA-N	300.309	1.355	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)[C@@H]1CC(C)=NO1	831418263	LFRHWXBFIXGTEA-NSHDSACASA-N	323.374	1.100	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cnn3ccccc23)cc1	731864410	UQZBEFACUWJUGU-UHFFFAOYSA-N	308.341	1.972	50	20	DDGD	
CCSCc1ccc(NC(=O)C(=O)NNC(=O)CC)cc1	835223540	IXAJQPRTNUHBSU-UHFFFAOYSA-N	309.391	1.436	50	20	DDGD	
CCN(CC)C[C@@H](NCc1ccc(B(O)O)o1)c1ccccc1	585016493	NVQOVRYJMNXTPV-MRXNPFEDSA-N	316.210	1.132	50	20	DDGD	
COc1cccc(C[C@H](C)NCc2ccc(B(O)O)cc2F)c1	585024326	WYXJQAYOEVGMNK-LBPRGKRZSA-N	317.169	1.235	50	20	DDGD	
CC[C@H](O)[C@@H](C)C(=O)NNc1ccnc(Br)c1	907449913	SZPXSQQQROPHFY-APPZFPTMSA-N	302.172	1.694	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2O[C@H](C)C[C@H]2C)c(F)c1	837206084	IVKQRGFNSKFXRC-JRKPZEMJSA-N	310.325	1.869	50	20	DDGD	
C[C@H]1C[C@@H](c2ccsc2)CN1C(=O)c1cccc(B(O)O)c1	584949023	FTTYWQJPDMJADD-SMDDNHRTSA-N	315.203	1.446	50	20	DDGD	
CC1(C)CCC[C@](O)(c2nc(-c3ccc(B(O)O)cc3)no2)C1	585051902	OHQCKRISGVNKEH-MRXNPFEDSA-N	316.166	1.204	50	20	DDGD	
CC(C)(CC#N)CNC(=O)NNC(=O)Cc1ccc(F)cc1	838756338	WXQUVEWSGVRGTF-UHFFFAOYSA-N	306.341	1.638	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H](CC(=O)O)C1CC1	833016581	YSCKJLNXORREMM-LLVKDONJSA-N	313.785	1.722	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNC(=O)c1ccc2ccccc2n1	730104054	OZICVHHZOVFIDJ-INIZCTEOSA-N	322.368	1.093	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@H]1CCC[C@@H]2C[C@H]12	838774985	AUAYDICYONTEDA-XBFCOCLRSA-N	317.389	1.757	50	20	DDGD	
O=C(NN[C@@H](C(=O)O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	833149358	NWPHZGWNJDNYHJ-CYBMUJFWSA-N	315.285	1.655	50	20	DDGD	
CCn1ccnc1C(C)=NNC(=O)[C@@H](C)CN1CCCCC1	834935568	TXUMOWFCKXXFDA-ZDUSSCGKSA-N	305.426	1.865	50	20	DDGD	
CC(=NNC(=O)C1CCC1)c1cccc(NS(C)(=O)=O)c1	731936134	ISJYTOXBMLGOED-UHFFFAOYSA-N	309.391	1.698	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NN=Cc2ccnn2C)c1C	914559641	SJBNPUGUVUOJHH-CYBMUJFWSA-N	300.362	1.955	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CN2CC[C@H](C)C2)cc1C	736309928	ISVZGOVCPBPKEK-JTQLQIEISA-N	309.435	1.722	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NC[C@H]2CC2(C)C)c1	732825947	CQTMPBZRMPUIOM-GFCCVEGCSA-N	304.394	1.743	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@H]1CCCN1CC(F)(F)F	830956027	UHDOCXXHNMVLRZ-HIJJYWJESA-N	305.300	1.573	50	20	DDGD	
O=C(NNC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1)c1ccccc1	731866648	QGIIGONWRWNSNY-UHFFFAOYSA-N	324.296	1.105	50	20	DDGD	
CCCC[C@@](C)(F)C(=O)NNC(=O)C(=O)Nc1ccccn1	830051659	HHUVKCYDZVPZQO-CQSZACIVSA-N	310.329	1.086	50	20	DDGD	
CCCNC(=O)Nc1ccc(CC(=O)NN(C)C[C@H](C)O)cc1	910165299	JPBOVMGDIQVLQE-LBPRGKRZSA-N	322.409	1.104	50	20	DDGD	
CC(=NNC(=O)c1ccc(-n2cnnn2)cc1)c1ccccc1F	916349778	IRXZHXLXZHATBU-UHFFFAOYSA-N	324.319	1.955	50	20	DDGD	
CCN1C[C@H](NC(=O)NNc2ccc(C)cc2Cl)CC1=O	838672366	DBBYEMYGTLZFIP-SNVBAGLBSA-N	310.785	1.895	50	20	DDGD	
Cc1ccc([C@](O)(CC(=O)NN(C)C[C@H](C)O)C(F)(F)F)o1	910160778	OTILTSQYLOHFNX-QPUJVOFHSA-N	324.299	1.072	50	20	DDGD	
CC(=O)NNC(=O)[C@@H]1CCCN(c2ncnc3sccc23)C1	743285325	LKOGAFUCWSQOOT-SNVBAGLBSA-N	319.390	1.075	50	20	DDGD	
CCC1CCC(CNC(=O)NNC(=O)c2ncccn2)CC1	841585019	UMUZUIXLFRMUQL-UHFFFAOYSA-N	305.382	1.637	50	20	DDGD	
CSSCCNC(=O)c1ccc(-n2nnnc2C)cc1	844520061	MTBKYYQCBPZOCR-UHFFFAOYSA-N	309.420	1.712	50	20	DDGD	
NC[C@H](NCC(=O)NNC(=O)c1cccs1)C1CCCCC1	842475723	BLHLQNUBUFBYQT-LBPRGKRZSA-N	324.450	1.006	50	20	DDGD	
CC(C)(N)CNC(=O)NNc1ccc(C#N)cc1C(F)(F)F	841950059	JSZRAWCMAZMNBO-UHFFFAOYSA-N	315.299	1.940	50	20	DDGD	
N#CCCCC(=O)NNC(=O)CSc1ccccc1[N+](=O)[O-]	844131432	RDHSLXWLHYSVPD-UHFFFAOYSA-N	322.346	1.528	50	20	DDGD	
COC(=O)C12CC(C(=O)NNc3cccc(F)c3[N+](=O)[O-])(C1)C2	843871944	BXROTFADYRIIEF-UHFFFAOYSA-N	323.280	1.520	50	20	DDGD	
COCC1CCC(NC(=O)NNC(=O)[C@H]2CCCCO2)CC1	840441793	BSJZXMZANZLQKB-WXRRBKDZSA-N	313.398	1.091	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2C[C@@H](C(=O)OC)C2)c1	840451866	FQIVTFLJVDDTQO-KLPPZKSPSA-N	321.333	1.051	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NC2CC3(CCC3)C2)n1	845721432	CSGMAOPSZFLLRD-UHFFFAOYSA-N	305.382	1.163	50	20	DDGD	
CCCCn1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(C)n1	843970546	HUKBPUZRJXEUKO-NEPJUHHUSA-N	308.382	1.178	50	20	DDGD	
C[C@@H]1CN(CCOc2ccc(CCNC(=O)NN)cc2)C[C@H]1C	841868713	WUDYRRYTJZHWDS-ZIAGYGMSSA-N	320.437	1.369	50	20	DDGD	
CCCC(=O)N1CCC[C@@H](C(=O)NNC(=O)CC(F)(F)F)C1	918366700	DNNCAMAJXZRCKW-SECBINFHSA-N	323.315	1.125	50	20	DDGD	
Cn1c(=NNC(=O)[C@H]2CCCNCC2)sc2ccccc21	846667394	MPWCXBVETMLCJS-NSHDSACASA-N	304.419	1.561	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C/c1ccc(-n2cncn2)c(F)c1	844239587	LPJSREOGJOPUAM-QDEBKDIKSA-N	305.276	1.573	50	20	DDGD	
CCN(CC)[C@H]1CCN(S(=O)(=O)CC(C)(C)CCl)C1	866895464	URSXNDVDQVYKIA-LBPRGKRZSA-N	310.891	1.997	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CC1(CSC)CC1	846640036	TWTIZASFMXBKRB-UHFFFAOYSA-N	318.439	1.456	50	20	DDGD	
COc1ccc2c(c1OC)OCC2=NNC(=O)[C@@H]1CCO[C@H]1C	842549574	OISLOYWOPKMWPQ-VHSXEESVSA-N	320.345	1.342	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cc1ccc2c(c1)CCCO2	843660530	UFXNUESRHHFKQB-SMDDNHRTSA-N	318.373	1.127	50	20	DDGD	
CCc1[nH]nc(C(=O)NNc2ccc(C#N)cc2)c1[N+](=O)[O-]	749267595	JRPGLULBDMLRJF-UHFFFAOYSA-N	300.278	1.509	50	20	DDGD	
COc1ccc(NC(=O)NNc2nc(C)cc(OC)n2)cn1	747442572	ZJIHKYGQODBVBL-UHFFFAOYSA-N	304.310	1.346	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)C(=O)N1CCC[C@@H](C)C1	846641918	UYDQNRJOMOLYDV-SNVBAGLBSA-N	309.341	1.536	50	20	DDGD	
N#Cc1ccc(NNC(=O)NCC2CNC2)c(C(F)(F)F)c1	841964960	PAQGIJXUVWSYQC-UHFFFAOYSA-N	313.283	1.423	50	20	DDGD	
Cc1cc(C)cc(CCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	843660665	KTSNNIOBNYLTIE-DZGCQCFKSA-N	304.390	1.808	50	20	DDGD	
O=C(NCC(Cl)Cl)c1c[nH]c(C(=O)N2CCCC2)c1	848384343	IFSOPTDRCORONN-UHFFFAOYSA-N	304.177	1.784	50	20	DDGD	
O=Cc1ccc(C(=O)NNC(=O)NCCc2cccs2)[nH]1	749923533	MGNIPSMFONCVCC-UHFFFAOYSA-N	306.347	1.075	50	20	DDGD	
O=C(NN=C1CCCn2ccnc21)[C@H]1COc2ccccc2O1	848399122	JNWDTFGPOMSYBU-CQSZACIVSA-N	312.329	1.337	50	20	DDGD	
CNC(=S)N(C)NC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2	854927634	DYNLPNJZQNHJIC-ASNHAOSHSA-N	311.451	1.175	50	20	DDGD	
O=C(CC[C@H]1CCCCO1)NNC(=O)c1cccc(Cl)n1	857325875	KMSUJTYCCUCUEA-SNVBAGLBSA-N	311.769	1.845	50	20	DDGD	
Cc1cn(-c2ccccc2)nc1NC(=O)NNC(=O)c1ccc[nH]1	756456923	FSDWHRUTBGTXEN-UHFFFAOYSA-N	324.344	1.975	50	20	DDGD	
CC[C@](C)(O)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	929366354	FPXLCTOMMBTOQG-HNNXBMFYSA-N	310.419	1.939	50	20	DDGD	
CN1CC[C@H](NC(=O)NNc2cc(F)cc(Cl)c2)C1=O	853771714	XQWMDHWKASDIEI-JTQLQIEISA-N	300.721	1.336	50	20	DDGD	
CCC(=NNC(=O)Cc1cn2ccccc2n1)c1ccn(C)n1	758125955	VVLMUFVAMDFRGA-UHFFFAOYSA-N	310.361	1.541	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CCCCS2(=O)=O)cc1F	856230254	KEKXGBZYRRTFFF-GFCCVEGCSA-N	300.355	1.545	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNC(=O)c2ccc(C)o2)cn1C	757672033	TWSTZJUIGRQSLT-UHFFFAOYSA-N	320.305	1.180	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccnc(NC2CCC2)c1	923058066	UJZITVRLLWGUEP-UHFFFAOYSA-N	318.377	1.234	50	20	DDGD	
CCc1ncncc1C(=O)NNc1nc(O)c2ccccc2n1	758299246	GKWCIELMCJPOJE-UHFFFAOYSA-N	310.317	1.445	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cc1ccc2c(c1)COC2)C1CC1	758690475	QJBULHHNSZXOKH-SNVBAGLBSA-N	319.430	1.553	50	20	DDGD	
O=C(NNc1cccc(F)c1)c1cncc(N2CCOCC2)c1	757140760	FEINIUAALDWJFY-UHFFFAOYSA-N	316.336	1.814	50	20	DDGD	
COc1ccccc1NCC(=O)NN=Cc1cn(C)nc1C	755504395	KTDSCFRGVLEYRN-UHFFFAOYSA-N	301.350	1.299	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)Cc1ccncc1)C1CCCC1	852657698	SCSIPUAISXHUFC-AWEZNQCLSA-N	320.393	1.160	50	20	DDGD	
Cn1c(=O)oc2cc(C=NNC(=O)c3ccccc3O)ccc21	754895628	QLPAPNKKNUJNHW-UHFFFAOYSA-N	311.297	1.601	50	20	DDGD	
COC1(C(=O)NNC(=O)NCCc2cccs2)CCCC1	754650244	PAYGMZPLUGCIKT-UHFFFAOYSA-N	311.407	1.580	50	20	DDGD	
CC[C@]1(O)CCN(C(=O)NC[C@@]2(C)C[C@H]2Br)C1	856953686	SXFFNGWJEJPPFD-JLLWLGSASA-N	305.216	1.716	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc2c(c(OC)c1)O[C@H](C)C2	854927218	ZEJUIDSLALWMLR-MRVPVSSYSA-N	309.391	1.100	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)c1ccccc1Cl)C1CC1	852555318	PQAGBVFEFYPNON-CYBMUJFWSA-N	309.797	1.879	50	20	DDGD	
Cc1cc(NNC(=O)NC[C@@H]2CCCNC2=O)ccc1Cl	922860962	ISFYONUVXMCZAG-JTQLQIEISA-N	310.785	1.801	50	20	DDGD	
CON(C)C(=O)[C@@H](C)NC(=O)NNc1ccc(Cl)c(C)c1	923483583	KEYRVFBPEJVDBY-SECBINFHSA-N	314.773	1.683	50	20	DDGD	
C[C@@H]1Cc2cc(C(=O)NNC(=S)N[C@H](C)C3CC3)ccc2O1	855095331	MKRADSAEPZCAOW-NXEZZACHSA-N	319.430	1.917	50	20	DDGD	
CNC(=O)NN=Cc1ccccc1N(C)C1CCN(C)CC1	920377815	NYYONANJFQHPCV-UHFFFAOYSA-N	303.410	1.480	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1cnn(C2CCC2)c1	929330822	MHKLKLYUVXYUMS-UHFFFAOYSA-N	316.336	1.751	50	20	DDGD	
COCc1nc(C(=O)NNC(=O)OCC(F)(F)F)cs1	856024113	INFZKGRNHGJELN-UHFFFAOYSA-N	313.257	1.223	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@]2(C)C[C@H]2Br)cn1	857734624	UPQDAGFUHMPIRO-JIFXEPLPSA-N	323.194	1.617	50	20	DDGD	
O=C(Cc1ccccc1O[C@H]1CCOC1)NNc1ncccn1	857434730	MCFGFRPSDWZUDE-ZDUSSCGKSA-N	314.345	1.330	50	20	DDGD	
Cn1nncc1NNC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1	857270437	CAWSWHUCOPRZRP-SNVBAGLBSA-N	317.246	1.988	50	20	DDGD	
COC(=O)CCC(C)=NNC(=O)CCCNC(=O)C(C)(C)C	853407650	UOBMTCLMXNCEHM-UHFFFAOYSA-N	313.398	1.374	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=C1CCCn2nccc21	853272110	OHDORNRSFLWPCZ-UHFFFAOYSA-N	309.329	1.448	50	20	DDGD	
CO[C@H]1CCC[C@@H]1CNC(=O)NNC(=O)c1cc(C)cs1	858345354	AZKFCMXNTPFERR-MNOVXSKESA-N	311.407	1.816	50	20	DDGD	
O=C(O)COc1cccc(C=NNC(=O)OCC(F)(F)F)c1	853430574	KRPCNEZQHOLGBR-UHFFFAOYSA-N	320.223	1.772	50	20	DDGD	
CC(C)C(=O)N1CCCC[C@@H]1C(=O)NN=c1cc[nH]cc1Cl	757422403	WGNLPMGOGNSQJF-CYBMUJFWSA-N	324.812	1.637	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C[C@@H]1CC(=O)Nc2ccccc21	929793659	QLWIHBZUYQNUHK-NSHDSACASA-N	303.362	1.696	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(-n2cccn2)c(Cl)c1	756320653	WNDDGQFTQGKTND-UHFFFAOYSA-N	323.740	1.325	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)CCc2ccon2)c1	854191061	SWISIUGTIPYXAW-UHFFFAOYSA-N	317.345	1.450	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C[C@H]2CCS(=O)(=O)C2)c1	759322645	VYACOCBTLOKXMZ-SECBINFHSA-N	316.354	1.102	50	20	DDGD	
Cn1c(C(=O)NC[C@]2(C)C[C@@H]2Br)ccc1[N+](=O)[O-]	857400508	BXENVQRHLFEJKB-KWQFWETISA-N	316.155	1.837	50	20	DDGD	
CN(C)[C@@H]1CCCN(C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	856956723	TYWXVKXWQDMXQS-NTZNESFSSA-N	318.259	1.896	50	20	DDGD	
COc1ccc(CN2CCC(=NNC(=O)CC(C)C)C2=O)cc1	853277152	OKENJXOPYNYPTH-UHFFFAOYSA-N	317.389	1.946	50	20	DDGD	
CCc1c(C(=O)NC[C@@]2(C)C[C@@H]2Br)cnn1C	857398565	OHOCIBCGGSSTHI-CMPLNLGQSA-N	300.200	1.886	50	20	DDGD	
C[S@](=O)C1(CNC(=O)NNc2ncc(Cl)cn2)CCC1	856894308	FSYQTEPWIDYPDL-FQEVSTJZSA-N	317.802	1.057	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(C)CC(=O)N(C)C1CCCCC1	855351480	HQDHOTVDENIMIC-SEYXRHQNSA-N	307.394	1.680	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H](NC2CCOCC2)C(C)C)n1	863934490	JWARSLIAAJENMS-OAHLLOKOSA-N	306.410	1.626	50	20	DDGD	
O=C(CCc1nc2ccccc2[nH]1)NNc1ncc(F)cn1	760912678	WWZMPHUCFPADIY-UHFFFAOYSA-N	300.297	1.568	50	20	DDGD	
CC(=NNC(=O)c1cccc(Cl)c1)c1cc(C(N)=O)n(C)c1	767032807	NEFOXBFOAUHVSC-UHFFFAOYSA-N	318.764	1.931	50	20	DDGD	
C[C@H](NNC(=O)c1cc(-n2ccnn2)ccc1F)C(F)(F)F	862321586	BSWAUSLZZSBYEU-ZETCQYMHSA-N	317.246	1.592	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CCCN2C(C)C)nc1	935107437	PCCHORSZYIGNTB-GFCCVEGCSA-N	306.366	1.184	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1cccc([C@H]2CCOC2)c1	761177132	SXJSQTQCZQEFQO-AWEZNQCLSA-N	311.341	1.660	50	20	DDGD	
CC(=O)Nc1ccccc1CC(=O)NNc1nc2ccccn2n1	768279837	IWIBTXWRFSVKAH-UHFFFAOYSA-N	324.344	1.374	50	20	DDGD	
O=C(CCn1cc(Cl)cn1)NNC(=S)Nc1ccccn1	768580772	JCNMCCWABBJBFB-UHFFFAOYSA-N	324.797	1.339	50	20	DDGD	
Cc1nnc(-c2cccc(NCc3cccc(B(O)O)c3)c2)o1	864028542	RMIQLNQBTAGKTE-UHFFFAOYSA-N	309.134	1.337	50	20	DDGD	
CC(C)Oc1cncc(C(=O)NNC(=O)CC(F)(F)F)c1	767890471	HLRTWUNELFUJKI-UHFFFAOYSA-N	305.256	1.582	50	20	DDGD	
Cc1nocc1S(=O)(=O)NC[C@]1(C)C[C@H]1Br	867549892	UYHKJTBOLCUDGL-BDAKNGLRSA-N	309.185	1.435	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1	765918166	JAPLNUHGJKQYSL-BDAKNGLRSA-N	309.288	1.227	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(SC(F)(F)F)o1	868859052	AHTUYQGQTDNNLG-UHFFFAOYSA-N	313.326	1.972	50	20	DDGD	
Cc1ccccc1[C@@H](C)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	868735463	HQXLFOMPIVNEAP-BZPMIXESSA-N	305.378	1.811	50	20	DDGD	
COc1ccc(NNC(=O)c2cncc(N3CCCC3)n2)nc1	867644869	ZGPMYCAXMFVHDU-UHFFFAOYSA-N	314.349	1.237	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CC[C@H](C)[C@@H](C)C2)cc1	766985563	WQHAEKAEVIBFJW-KBPBESRZSA-N	303.406	1.734	50	20	DDGD	
COc1ccc([C@@H](C)C(C)=NNC(=O)CS(C)(=O)=O)cc1	863189257	GBSNARIZPGAKTI-JTQLQIEISA-N	312.391	1.335	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H](CO)CC(F)(F)F	867018207	WQGNGCDRTBASMS-SSDOTTSWSA-N	311.753	1.484	50	20	DDGD	
OB(O)[C@@H]1CCN(c2nc(-c3cccnc3)nc3ccccc23)C1	864233683	LCKZFZYFBZAJDJ-CYBMUJFWSA-N	320.161	1.745	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(C)cc(Br)c1	766641366	XRSRSGKZUJPJQJ-UHFFFAOYSA-N	300.156	1.721	50	20	DDGD	
O=C(CN1CCC2(CC1)CC2)NNC(=O)c1cccc(Cl)c1	761061727	FDNKVDBCSNVPGT-UHFFFAOYSA-N	321.808	1.977	50	20	DDGD	
Cc1cccc(F)c1NC(=O)C(=O)NNc1ccc(Cl)nn1	763432665	ZKNPYSVZLJNWMK-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
CC(C)(NC(=O)C(F)(F)F)C(=O)NNc1cccnc1Cl	760838961	SCTYMOWESVFEGF-UHFFFAOYSA-N	324.690	1.635	50	20	DDGD	
Cc1cccc(CC(=NNC(=O)CS(C)(=O)=O)C2CC2)c1	863189185	CGDRWTWLNNWENF-UHFFFAOYSA-N	308.403	1.464	50	20	DDGD	
CCc1cccc2c1N(C(=O)C(=O)NNC(=O)C1CCC1)CC2	764338284	FATACQFSQNHBEO-UHFFFAOYSA-N	315.373	1.086	50	20	DDGD	
COc1nccnc1NNC(=O)Cc1cn2cccc(C)c2n1	764469780	IGGGBDDGNQCTOE-UHFFFAOYSA-N	312.333	1.127	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1coc(-c2ccccc2)n1	1116111236	HCNZELHCZMTKMI-UHFFFAOYSA-N	304.375	1.859	50	20	DDGD	
Cc1cccc(CCNC(=O)NNc2nncc(N)c2Cl)n1	1116872487	FMALTFQDWSCGMB-UHFFFAOYSA-N	321.772	1.284	50	20	DDGD	
Cc1cc(C)c(C=NNC(=O)CNC(=O)c2cccnc2)cc1C	763199823	ULXQLNWRAXFUER-UHFFFAOYSA-N	324.384	1.887	50	20	DDGD	
CC(C)O[C@H]1CC(=NNC(=O)CNC(=O)c2ccco2)C1(C)C	764912868	ZIOFBCKEEKTVHE-ZDUSSCGKSA-N	321.377	1.705	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2CCCN2C)c(C)c1	873758048	HNCUGLVKAWSHFO-CYBMUJFWSA-N	306.435	1.715	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cnc2c(c1)CCCC2	764084169	UEWVUNAIPCCXSO-JTQLQIEISA-N	318.377	1.092	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(Cl)c(C(=O)OC)c1	769960044	YVYGDTPBVHMARC-UHFFFAOYSA-N	315.713	1.909	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNc1nccnc1Cl	878856557	GTOSEXRBRHYQTP-GMSGAONNSA-N	306.757	1.662	50	20	DDGD	
COc1ccc(F)cc1CC(=O)NNC(=O)c1ccccn1	773769215	RCMHVPFGNOOYNJ-UHFFFAOYSA-N	303.293	1.233	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C2(C(=O)CC)CC2)c1	874951655	GXPQUIYKZCWAQR-UHFFFAOYSA-N	315.398	1.745	50	20	DDGD	
CCCc1ccc(N)c(C(=O)O[C@@H](C)C(=O)NNC(=O)CC)c1	772014296	WFAIUZAVPAQMMO-JTQLQIEISA-N	321.377	1.324	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H]2[C@H]3CCC[C@H]32)cn1	874954171	PGJRQUQVIXJFEB-IAZYJMLFSA-N	306.391	1.454	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=S)Nc2ccccn2)CCC1=O	1119115211	GDNNVFXYSTZZKE-VHSXEESVSA-N	306.391	1.405	50	20	DDGD	
CCCc1n[nH]cc1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	1116663255	JPARQYWTHZAVQH-JTQLQIEISA-N	324.381	1.101	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)c3ccc4[nH]ccc4c3)nc21	770971970	DPAYGNCNBGOZSE-UHFFFAOYSA-N	323.316	1.307	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ccc([N+](=O)[O-])cc2O)n1	773865995	AWPAAITXDYAAMY-UHFFFAOYSA-N	324.684	1.083	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)N[C@@H]1CC12CCC2	873257545	ITDCSYWSKCXCNQ-GFCCVEGCSA-N	305.334	1.044	50	20	DDGD	
C[C@H](NCC(=O)NNC(=O)C(C)(C)C)c1ccc(N(C)C)cc1	775836561	NQZLXZYCMFVWIZ-LBPRGKRZSA-N	320.437	1.597	50	20	DDGD	
COCCN(C)NC(=O)Nc1c(C)c(C(F)(F)F)nn1C	879201630	OGIUIMJQWGKZCD-UHFFFAOYSA-N	309.292	1.362	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1cccc2ccsc12	879007270	RNYAVTBBVIFZRJ-UHFFFAOYSA-N	323.374	1.717	50	20	DDGD	
COCCOCC(=O)NN=C(C)[C@@H](C)NC(=O)OC(C)(C)C	872400625	NPGGGJBNVCTWQU-SNVBAGLBSA-N	317.386	1.055	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)CNc1cccc(OC)c1	770592315	SGDKMGBTUCVMEV-UHFFFAOYSA-N	315.377	1.553	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@@H](C)CN2CCOCC2)c(O)c1	872336825	MYSYUQOOYKDTJQ-ZDUSSCGKSA-N	305.378	1.119	50	20	DDGD	
CC#CCCNC(=O)NNC(=O)c1cc(C)nc2ccccc12	776204731	HIFYEMGDDMSJOZ-UHFFFAOYSA-N	310.357	1.901	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H](F)Cc1ccccc1	777998601	BWQZPUODPIRRHF-NSHDSACASA-N	315.439	1.426	50	20	DDGD	
COC[C@@H](C)C(C)=NNC(=O)C1CCN(c2ncccn2)CC1	777886204	RPISQCYBODFLEF-GFCCVEGCSA-N	319.409	1.468	50	20	DDGD	
N#CCC(=O)NCc1cn(/C(Cl)=C/CBr)nn1	881310231	FMLADTCRUMFPLW-UNXLUWIOSA-N	318.562	1.240	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2ccc(Br)cc2)C1=O	773454259	AVAXIHDLOMVLNJ-SNVBAGLBSA-N	312.167	1.371	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@H]2CCC=CO2)cc1OC	777840613	DYAVXDBDZASJRN-CYBMUJFWSA-N	320.345	1.548	50	20	DDGD	
Cn1nc2c(c1NC(=O)NNc1ncc(F)cn1)CCCC2	880620787	MOVLTOBBKGLMMU-UHFFFAOYSA-N	305.317	1.377	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccccc2[N+](=O)[O-])c(C)n1	782540682	VJJICCDQCNBGEW-UHFFFAOYSA-N	319.321	1.503	50	20	DDGD	
CC[C@H](OC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C)C(=O)OC	782628522	NQVBODPWFGYISK-ZDWRTJATSA-N	315.329	1.607	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn(C(C)C)c2C)cc1O	882050114	OUTBWBBNZDDHSB-UHFFFAOYSA-N	316.361	1.861	50	20	DDGD	
CCc1ccc(CCNC(=O)NNC(=O)C2CCOCC2)cc1	883428685	AKHKFEOBHYZGCI-UHFFFAOYSA-N	319.405	1.549	50	20	DDGD	
COc1cc(C(=O)OC[C@]2(C)C[C@H]2Br)nn1C	1123038086	GQBSQENFLVGCIY-KCJUWKMLSA-N	303.156	1.759	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCc1ccc(C#N)cn1	780639589	LLUBMZUWLBLHMZ-UHFFFAOYSA-N	309.329	1.406	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)C2CCN(C3CC3)CC2)o1	787267023	MJQWGROYGSYYCR-UHFFFAOYSA-N	317.393	1.987	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@@H]2CO[C@H](C)C2)o1	784360714	PZEFXFGQCYJESM-NEPJUHHUSA-N	323.393	1.307	50	20	DDGD	
Cc1cc(C(=O)NNc2ccccc2S(C)(=O)=O)ccn1	789990226	IJBSNCZEJIEQIW-UHFFFAOYSA-N	305.359	1.550	50	20	DDGD	
COc1cccc(C[C@@H](O)C(=O)NNc2cccc(OC)n2)c1	785422164	NPVCTNJVEWTRJT-CYBMUJFWSA-N	317.345	1.146	50	20	DDGD	
O=C(CC1CCC2(CC1)OCCO2)NNC(=O)NCC1CC1	788088180	HEETVFITXMYHOF-UHFFFAOYSA-N	311.382	1.050	50	20	DDGD	
Cn1ncc(C(=O)NNc2ccc(F)cc2Br)n1	786428021	WBTIKQDNWHPGNA-UHFFFAOYSA-N	314.118	1.474	50	20	DDGD	
C[C@H]1CN(Cc2ccccc2)CC1=NNC(=O)C[n+]1ccccc1	794457814	RKDOLDXRUPQSNF-INIZCTEOSA-O	323.420	1.598	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)c2ccccc2C)on1	792941796	GGZYSZIKEGBQOT-UHFFFAOYSA-N	301.302	1.924	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1cc2nccnc2cc1F	792639826	XVJAWIYQQCJWJF-UHFFFAOYSA-N	318.699	1.969	50	20	DDGD	
CSSCCNC(=O)NCCCOC[C@@H]1CCOC1	790732588	RUFWQCMMHASKPB-NSHDSACASA-N	308.469	1.740	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@H]1CCCC12CCOCC2	799981217	IBZPSMMRGQVGDU-ZDUSSCGKSA-N	309.410	1.856	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccc2ccccc2n1)C(=O)OC	790097769	YUFHGBAIOBPYAC-NSHDSACASA-N	315.329	1.195	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H](C)N(C)CC(F)(F)F	793971606	NAWNYLDIOVRZHR-SECBINFHSA-N	319.331	1.926	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc[n+]([O-])cc2)c2ccccc2n1	798366931	OHPKYAPSJDBRNB-UHFFFAOYSA-N	322.324	1.251	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCC(C)CC1)c1ccnc(O)c1	790287579	MNBGOLGWPYGKKV-CYBMUJFWSA-N	318.421	1.995	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc3ccccc3c(O)n2)n1	794076098	DUBQDPDUTONIQQ-UHFFFAOYSA-N	322.324	1.719	50	20	DDGD	
Cc1nc2cc(F)c(F)cc2n1CC(=O)NNc1ncccn1	792970023	GKIXQWHHIRZRNV-UHFFFAOYSA-N	318.287	1.556	50	20	DDGD	
COCc1cc(C=NNC(=O)c2ccnc(N(C)C)c2)no1	794909091	OBUGNPHDUSGIHD-UHFFFAOYSA-N	303.322	1.046	50	20	DDGD	
COc1coc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cc1=O	798983319	MKPGDBICKOWPQK-UHFFFAOYSA-N	305.246	1.314	50	20	DDGD	
C[C@@H](Oc1ccc(/C=C(\C#N)S(=O)(=O)N(C)C)cc1)C(=O)O	794714450	RLEUSRWLASBPJB-SEEODLKFSA-N	324.358	1.294	50	20	DDGD	
C[C@@H]1CSCC1=NNC(=O)c1nn(C)c(=O)c2ccccc12	794872088	BZJGUZRDWPFPKB-SECBINFHSA-N	316.386	1.402	50	20	DDGD	
CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCl	1319921597	JSWNRWIQZAFGGX-UHFFFAOYSA-N	320.798	1.513	50	20	DDGD	
Cc1c(C#N)cccc1C(=O)NNC(=O)c1ccc(C#N)cc1	1321410444	KOLOSZJIKCKOSA-UHFFFAOYSA-N	304.309	1.813	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@H]2CCC[C@@H](F)C2)c1	1332070147	KPKNQJDHECDHGN-OLZOCXBDSA-N	323.368	1.985	50	20	DDGD	
CC(C)(C(=O)NC[C@]1(C)C[C@@H]1Br)n1ccc(N)n1	1334670452	UPOJJNVAVAQCKE-UFBFGSQYSA-N	315.215	1.490	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCC(F)F)c(OC)c1	1341271598	WKOGPAXGAOTJSM-UHFFFAOYSA-N	317.292	1.303	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2nc(C3CC3)cs2)n1	1263815753	IRKQHDICKPJYLS-UHFFFAOYSA-N	302.359	1.799	50	20	DDGD	
Cc1cnn(CC2CC2)c1NC(=O)NNC(=O)c1cccn1C	1342389447	IQAFMZIVTAYUKT-UHFFFAOYSA-N	316.365	1.407	50	20	DDGD	
O=C(NCc1nc2c(s1)CCC2)NNc1cccc(F)n1	1340672589	SVPUCZJASCJQTP-UHFFFAOYSA-N	307.354	1.992	50	20	DDGD	
C[C@H]1CN2CCN1C[C@@H]2C(=O)NNc1cc(F)cc(Cl)c1	1347107858	FKUWPRBOLYNXSX-TVQRCGJNSA-N	312.776	1.311	50	20	DDGD	
CCN(CC)CC[C@@H](C)NC(=O)NNC(=O)c1ccccc1	1521226566	LZLWMMUVNRMXEC-CYBMUJFWSA-N	306.410	1.751	50	20	DDGD	
C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NN=c1cc[nH]cc1	1603576379	GQTBUPPASZQXNH-LLVKDONJSA-N	323.360	1.006	50	20	DDGD	
Cc1nnc(CC(=O)NNc2ccc(CC(=O)O)cc2)s1	1600794351	LYYQALMMMZHSPJ-UHFFFAOYSA-N	306.347	1.159	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@H]2CC[C@@H]3CCCCN32)c1F	1608935631	AUARKEAGSRDOBZ-GXFFZTMASA-N	321.352	1.984	50	20	DDGD	
Cc1nc(C(=O)NNc2ccc(F)c(C(=O)O)c2)ccc1C#N	1607944783	DSIVQDYWLOKUET-UHFFFAOYSA-N	314.276	1.856	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H](C(=O)O)C1CCCC1	1603109902	OGESTLNKUQMJFQ-NSHDSACASA-N	306.366	1.934	50	20	DDGD	
O=C(COc1cccnc1)NNc1ccc(C(=O)O)cc1F	1601345736	YVEDTDZBIMXVJX-UHFFFAOYSA-N	305.265	1.441	50	20	DDGD	
CN(C)N(C(=O)C1CC(F)(F)C1)c1nc(CC(=O)O)cs1	1606037291	OYOKAPAJOBTBIK-UHFFFAOYSA-N	319.333	1.625	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1ccc(C)c(C(=O)O)c1	1605638331	OCTFLLVJWHQFCN-LLVKDONJSA-N	310.350	1.578	50	20	DDGD	
O=C(O)COCCNC(=O)NNc1cccc(F)c1Cl	1602080076	WRIGQDCZXXEGQR-UHFFFAOYSA-N	305.693	1.206	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@H]1C(=O)O	1601558822	DLJKLCXJWGNEBY-NWDGAFQWSA-N	307.306	1.929	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@]2(C(=O)O)C[C@@H]2c2ccccc2)nc1	1601107945	SYHRHIPEMGYYBS-DYVFJYSZSA-N	322.324	1.655	50	20	DDGD	
O=C(O)CC[C@@H]1C[C@H](C(=O)NNc2ccnc(Cl)c2)CO1	1606110805	AYXVFXUQRSPDRO-WCBMZHEXSA-N	313.741	1.448	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)N[C@H]1CNCCC1(F)F	1610700796	WQWRORIYGOZFHG-JTQLQIEISA-N	314.292	1.008	50	20	DDGD	
COc1cc(C(=O)O)ccc1NC(=O)NNC(=O)CC(C)(C)C	1610287519	TWTNBUYDSBGENQ-UHFFFAOYSA-N	323.349	1.982	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@H]1C(=O)NN=Cc1nccs1	1549315322	MKIVESFIIMZLMP-MFKMUULPSA-N	319.390	1.495	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)N[C@@H]1CC[C@H]2CNC[C@@H]2C1	1610700677	VDCNPWIYGXXUCR-RWMBFGLXSA-N	318.377	1.399	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C=NNC(=O)c1cn[nH]c1	1552672100	DXLVCOTYPLTWIE-ZWNOBZJWSA-N	302.338	1.027	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1nccc([C@H]2CCNC2)n1	1575232066	UUDKBCQFCQAUQW-VIFPVBQESA-N	322.369	1.115	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H]2CSCN2)c1	1579673017	UIXSPTGXWZOUQS-NSHDSACASA-N	310.448	1.284	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2CCCNCC2)c1C	1578877637	DYDYYXIKLBMRNA-LBPRGKRZSA-N	305.378	1.614	50	20	DDGD	
Br[C@H]1[C@@H]2CN(c3ccc(-c4nn[nH]n4)cc3)C[C@H]12	1588316132	NSZWFKNYKUCZFP-URLYPYJESA-N	306.167	1.696	50	20	DDGD	
Br[C@H]1[C@@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]12	1588316601	SONCTIFVECNSEI-GDNZZTSVSA-N	320.194	1.692	50	20	DDGD	
NCCCC(=O)NNC(=O)c1cc2c(C3CC3)cccc2[nH]1	1580289940	YOCJAINSRLFAFB-UHFFFAOYSA-N	300.362	1.545	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1845164734	YAKMHRHMGOUARI-BDAKNGLRSA-N	311.184	1.742	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cncn2C)C1	1842491176	HTWQCDUHFWQIMI-NSHDSACASA-N	324.812	1.255	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(OCC(=O)O)c(Cl)c1	1594712264	DNWOYBXQDGCMSC-UHFFFAOYSA-N	315.713	1.366	50	20	DDGD	
C[C@H](CC(=O)NNc1ccc(C(=O)O)cc1F)n1ccnc1	1592252566	MVTSBAKNMZVALV-SECBINFHSA-N	306.297	1.815	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccccc1O[C@H](C)C(=O)O	1599242489	RERWNPWMWDNSIG-NASPGAHYSA-N	318.329	1.208	50	20	DDGD	
C[C@@H]1O[C@H](C)C[C@@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1	1590183070	AKOLQSDNFCTQDH-PTRXPTGYSA-N	302.338	1.123	50	20	DDGD	
COc1cc(C(=O)NNc2ccc(F)c(C(=O)O)c2)nn1C	1599355063	DSTRWFRPWQVQKC-UHFFFAOYSA-N	308.269	1.023	50	20	DDGD	
CCn1ccnc1C(=O)NNc1ccc(C(=O)O)cc1OC	1597914010	GGNACKGPVSVKLP-UHFFFAOYSA-N	304.306	1.367	50	20	DDGD	
COc1cc(C(=O)NNc2ncccc2C(=O)O)ccc1O	1594051512	WSBRLYIQTAWCDE-UHFFFAOYSA-N	303.274	1.251	50	20	DDGD	
COc1cc(NNC(=O)c2cc(C(=O)O)n[nH]2)ccc1Cl	1594066678	SALIYVPTSIDLLN-UHFFFAOYSA-N	310.697	1.527	50	20	DDGD	
Cc1ccncc1C=NNC(=O)c1cccc(-c2nn[nH]n2)c1	1592276632	BNWDTARNTZBKII-UHFFFAOYSA-N	307.317	1.334	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1cc2[nH]c(C(=O)O)cc2o1	1777033811	XBTYBAUMAJFVDW-FPYGCLRLSA-N	309.303	1.215	50	20	DDGD	
CCn1c(NNC(=O)c2cc(C)no2)nc2ccccc2c1=O	11160628	UHLWMQCDTPKIMY-UHFFFAOYSA-N	313.317	1.470	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1c(O)cccc1F	163268426	SVPLCOFJJJFULY-UHFFFAOYSA-N	318.304	1.631	50	20	DDGD	
COC(=O)CCN1CCN(C[C@@H](C)CBr)[C@@H](C)C1	152802684	QUNZPLJSBLTZHB-RYUDHWBXSA-N	321.259	1.587	50	20	DDGD	
CSCCNC(=S)NNC(=O)CCCc1ccccc1	154108711	BPDAYMIYFJZVFD-UHFFFAOYSA-N	311.476	1.868	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2c(F)cccc2F)nc1	156515913	RQENKNKYKAEUEW-UHFFFAOYSA-N	307.256	1.903	50	20	DDGD	
COc1ccc(NNC(=O)NCCOCc2ccccc2)nc1	157481255	HDFLQWXJJJJTFN-UHFFFAOYSA-N	316.361	1.933	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(C(N)=O)nn2)nc2ccccc12	154414531	CLMHZMIYTFKZHS-UHFFFAOYSA-N	322.328	1.189	50	20	DDGD	
CSSCCNC(=O)NCc1ncc(C(=O)O)s1	720644724	FFEUOJIRUFGPBB-UHFFFAOYSA-N	307.422	1.652	50	20	DDGD	
CCOC(=O)c1c(NC=C(C#N)C#N)sc(C(N)=O)c1C	102704990	HUJMAKDHENAMKN-UHFFFAOYSA-N	304.331	1.675	50	20	DDGD	
Cc1cccc(OCCCC(=O)NNc2nnc(C)c(O)n2)c1	29066844	HMCGSPRKGRYYQH-UHFFFAOYSA-N	317.349	1.496	50	20	DDGD	
O=C(CCc1ccccc1F)NNC(=O)Cc1cccnc1	103424830	BBGWRCSPINDDJF-UHFFFAOYSA-N	301.321	1.543	50	20	DDGD	
Cc1ccc(NNC(=O)NCCc2cc(F)cc(F)c2)nn1	106268395	GDKDIMPGWRRWGG-UHFFFAOYSA-N	307.304	1.932	50	20	DDGD	
N#Cc1cccc(NC(=O)NNC(=O)c2cccc(C#N)c2)c1	103502164	DXQXBPMMTWAUQT-UHFFFAOYSA-N	305.297	1.896	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCc1ccc2c(c1)CCC2	103510265	PQWPGIHARHJKFX-UHFFFAOYSA-N	324.384	1.643	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCc1nccs1	109148871	FXBAKVUQOOZSPH-UHFFFAOYSA-N	306.347	1.296	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)N2[C@@H](C)CC[C@H]2C)c(O)c1	101648232	MFCSJHUMYZCVBP-FRRDWIJNSA-N	319.405	1.723	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1C(=O)NNc1ccc(Cl)nn1	118504265	JIJKCPNHXLVQRJ-UHFFFAOYSA-N	308.773	1.918	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)COc2cc(C)ccc2C)cn1	114314034	WFGABRTZIBIXLB-UHFFFAOYSA-N	316.361	1.360	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CSc2ccccc21	118335707	JFFBZYWGIFOOBY-NSHDSACASA-N	302.359	1.369	50	20	DDGD	
CCCCN(C)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	113393288	DRYZIFVVXPWEFV-UHFFFAOYSA-N	315.377	1.959	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2cc(Cl)c[nH]2)c1	25977641	ZIYVLUBMUSZVPW-UHFFFAOYSA-N	323.736	1.760	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NNC(=O)NC2CCCC2)n1	65920901	WVAXXCUTHXJBAQ-UHFFFAOYSA-N	323.422	1.459	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C(C)(C)c2ccc(Cl)cc2)cn1	117681825	RGXZCJYDDVDKRK-UHFFFAOYSA-N	320.780	1.812	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cnc2ccccc2n1	175800527	QQACVRKKOUMUIG-UHFFFAOYSA-N	307.313	1.029	50	20	DDGD	
O=C(CNCC(F)(F)F)NNc1nc(-c2ccccc2)no1	112911147	DZSWUZFBLXGCBY-UHFFFAOYSA-N	315.255	1.332	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H]2CCC[C@@H](N(C)C)C2)n1	176588338	PBGZYKZIQFWBNK-NWDGAFQWSA-N	322.413	1.293	50	20	DDGD	
CCCCCC(C)(C)C(=O)NNC(=O)CNC(=O)c1ccco1	177210421	GQUIEHAUYUTIKS-UHFFFAOYSA-N	323.393	1.763	50	20	DDGD	
CCCCCOc1ccc(S(=O)(=O)NNC(=O)NC)cc1	63180679	XFEPVYAIONEXSJ-UHFFFAOYSA-N	315.395	1.378	50	20	DDGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)[C@@H]1CCCO1	32257370	VEVBEIWPCFSHHS-NSHDSACASA-N	314.794	1.759	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NNc1ncc(F)cn1	123315117	KONSGYGSDDGKFZ-UHFFFAOYSA-N	307.241	1.046	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2cnc(C)cn2)cc1	68889592	BDDOGTYLJDHANH-UHFFFAOYSA-N	316.386	1.647	50	20	DDGD	
O=C(NCCCF)NNC(=O)Nc1ccc(OC(F)F)cc1	123706424	NVUACLJKIQYDNG-UHFFFAOYSA-N	320.271	1.983	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(F)cc1Cl	124729698	VQZSPTWJLYFHMW-ZETCQYMHSA-N	315.732	1.611	50	20	DDGD	
COc1ccc2nc(C3CC3)cc(C(=O)NN(C)C(N)=O)c2c1	182670606	BTTFLSCELWTIDS-UHFFFAOYSA-N	314.345	1.776	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CCCc1ccccc1)n1cccn1	77345238	WWWGYFPLTXVLGQ-ZDUSSCGKSA-N	300.362	1.614	50	20	DDGD	
Cc1nc(CC(=O)NNC(=O)CNc2ccccc2)cs1	73301899	ZDNKPELIKKAJIG-UHFFFAOYSA-N	304.375	1.254	50	20	DDGD	
Cc1ccccc1[C@@H]1C[C@H]1NC(=O)NNC(=O)c1cnn(C)c1	77601240	XQBQBCWELFMNIQ-UONOGXRCSA-N	313.361	1.229	50	20	DDGD	
Cc1cc(C)c(C(=O)NNc2cccc(S(C)(=O)=O)c2)[nH]1	181128154	AGBFBONLIAELPM-UHFFFAOYSA-N	307.375	1.792	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccnc(C)c2Cl)n1	121453098	NDXRKLCXAIWXLK-UHFFFAOYSA-N	308.729	1.991	50	20	DDGD	
COc1ccnc(NNC(=O)NCCCCn2ccnc2C)n1	74532906	OEKGCPIPAHOXQR-UHFFFAOYSA-N	319.369	1.097	50	20	DDGD	
C#CCOc1ccccc1NC(=O)NNC(=O)c1ccncc1	188060069	KQEYYQLUXRYURX-UHFFFAOYSA-N	310.313	1.560	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)NCC2CCC2)cc1	47053592	MPTBHMWUFREDAB-UHFFFAOYSA-N	307.350	1.205	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1cccc2cccnc12	44744633	GYCUDNUKCWFRAE-UHFFFAOYSA-N	300.387	1.459	50	20	DDGD	
COc1cccc(NNC(=O)C[C@H](C)NC(=O)C2CCCC2)n1	180706122	LOPUBRDWNGIKEJ-NSHDSACASA-N	320.393	1.618	50	20	DDGD	
CSC1(CNC(=O)NNc2ccc(-n3cccn3)nn2)CC1	195166443	ACBXOTJKORHLLS-UHFFFAOYSA-N	319.394	1.184	50	20	DDGD	
COc1nccnc1NNC(=O)CCCOc1ccccc1	131880362	RYWAFLLTWWRXDM-UHFFFAOYSA-N	302.334	1.788	50	20	DDGD	
CCCCCCNC(=O)NNC(=O)c1ccc2c(c1)OCCO2	42911223	RSKZQJNTKJASFK-UHFFFAOYSA-N	321.377	1.982	50	20	DDGD	
O=C(NNC(=O)c1cccc2ncccc12)Nc1ccncn1	194101750	XNJBIEBLVFRYTE-UHFFFAOYSA-N	308.301	1.491	50	20	DDGD	
CC(=O)NNC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C	192929728	LAKVZEBCZCAHLZ-UHFFFAOYSA-N	323.356	1.725	50	20	DDGD	
O=C(NNC(=O)C1CCC(O)CC1)c1cc2ccccc2o1	194384402	GAZLUSNUEMPDHB-UHFFFAOYSA-N	302.330	1.745	50	20	DDGD	
CO[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)Cc1ccccc1F	266557252	MGPYVNNUFDQHEZ-UONOGXRCSA-N	323.368	1.656	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1ncnc2ccsc12	269017310	UJJCRIBRRJDTQA-UHFFFAOYSA-N	323.378	1.613	50	20	DDGD	
COc1ccc(OC)c(CCNC(=O)NNc2cccnn2)c1	265482054	QYGZNSRRVUXJEZ-UHFFFAOYSA-N	317.349	1.363	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)COc1ccccc1F	268240421	GQKHRSZCZWZCQU-UHFFFAOYSA-N	307.325	1.338	50	20	DDGD	
C#CCSCCNC(=O)NNc1cccc([N+](=O)[O-])c1C	265783096	HIUDTSYTUKCKMB-UHFFFAOYSA-N	308.363	1.896	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc3c(cn2)OCCC3)o1	367782741	HVFXVHCPIRHOBR-UHFFFAOYSA-N	301.302	1.383	50	20	DDGD	
CCOC(=O)c1[nH]ncc1/C=C(\C#N)C(=O)NC1CCCC1	268293633	BWADQFSJHAMGKE-JXMROGBWSA-N	302.334	1.552	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(CNC(=O)OC(C)C)cc1	274237729	WNWBCLQECGOZCQ-UHFFFAOYSA-N	308.338	1.494	50	20	DDGD	
COC(=O)c1cccc(CCNC(=O)NNC(=O)CC(C)C)c1	271166126	ZJPSYVNQSJDXEH-UHFFFAOYSA-N	321.377	1.392	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C1(C)COC1	278302198	BEHWYFURNSOMRT-SECBINFHSA-N	312.753	1.291	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ccccc1N1CCCC1=O	272333501	KZRKETCAYINOSG-UHFFFAOYSA-N	316.361	1.766	50	20	DDGD	
CCN1CCO[C@@H](C(=O)NNc2ccc(Cl)c(OC)c2)C1	364606536	ZDRPZZXBYYXMBM-CYBMUJFWSA-N	313.785	1.512	50	20	DDGD	
Cc1cc(C(=O)NN=c2nc(-c3ccncc3)[nH]o2)ns1	368916212	XPYNFMQLWOYUTP-UHFFFAOYSA-N	302.319	1.075	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNc2ccc(C(F)(F)F)nn2)CCO1	271986772	KNGLQZNINHVIDZ-SFYZADRCSA-N	304.272	1.754	50	20	DDGD	
CCC(CC)(CNC(=O)NNc1cccc(OC)n1)C(=O)OC	272563789	OWQPWUUWWPJZAQ-UHFFFAOYSA-N	324.381	1.696	50	20	DDGD	
CCCCc1nnc(NC(=O)NNc2nccc(OC)n2)s1	274774139	BURZSBZUWIRJCX-UHFFFAOYSA-N	323.382	1.828	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1cc(F)ccc1F	274261340	WYHLAHYFYHXBAO-UHFFFAOYSA-N	315.276	1.459	50	20	DDGD	
CN1C[C@H](NC(=O)NNc2cc(Cl)cc(Cl)c2)CC1=O	276788212	CNIXJOOPTLMLDR-SNVBAGLBSA-N	317.176	1.850	50	20	DDGD	
CCN(CC)C(=O)c1ccc(NC(=O)NNC(=O)C2CC2)cc1	274152468	ZJBHBJFJNCENDN-UHFFFAOYSA-N	318.377	1.731	50	20	DDGD	
CO[C@H]1CCC[C@@H](CC(=O)NNC(=O)c2ccc(C#N)cc2)C1	279814567	OYNSBMDTAGENBA-HIFRSBDPSA-N	315.373	1.915	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NC[C@H]2CCSC2)c1	279449022	DLGNMDCWHAGJDQ-LLVKDONJSA-N	322.434	1.450	50	20	DDGD	
Cc1nc2cc(F)c(F)cc2n1CC(=O)NNC(=O)C1CC1	279744009	XJBUZGFWHSBDTP-UHFFFAOYSA-N	308.288	1.180	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1ccc2c(O)nccc2c1	285667116	KKXYOWOKPXXSNL-LLVKDONJSA-N	319.361	1.825	50	20	DDGD	
CC(C)(C)C(=O)NCCC(=O)NNC(=O)Nc1ccccc1	282651087	AUQCTUOGTVVHPW-UHFFFAOYSA-N	306.366	1.392	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H](C)Oc1ccc(CCC(C)=O)cc1	286459128	SWSFVDWUMOEFPO-GFCCVEGCSA-N	322.361	1.705	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)c1ccc(Cl)cc1	285324258	ZZFHJVDJYMTRSC-GHMZBOCLSA-N	310.737	1.300	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1nc(C2CCOCC2)cs1	287211793	ADRNFSHMZZIJLG-UHFFFAOYSA-N	310.379	1.600	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H](C)NC(=O)C2CCCC2)n1	298728316	NBOUELHNGVCSHZ-LLVKDONJSA-N	305.382	1.231	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNC(=O)c2ccccc2O)c1C	291937170	COTUBUPZSSVTJB-UHFFFAOYSA-N	316.361	1.229	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)N[C@H]1CC1(C)C	299046566	GVVLOIVLBZJETR-CABZTGNLSA-N	309.341	1.722	50	20	DDGD	
O=C(NNc1nnc[nH]1)c1ccc(CN2CCCCC2)cc1	294071621	YLYOHISHNURFMR-UHFFFAOYSA-N	300.366	1.548	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F)[C@@H]1CCCCO1	295552093	MAHLXDNMQRSBIH-BZPMIXESSA-N	324.327	1.785	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1ccc(-c2ncco2)cc1	297755191	LWHGPXKWEJTILT-LBPRGKRZSA-N	316.317	1.673	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccc1	296495733	BPCLIFAOWKOVIP-OCCSQVGLSA-N	305.378	1.690	50	20	DDGD	
C[C@@H](OCc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCCO1	295272325	HSNGJGOEKJWUFU-MFKMUULPSA-N	310.325	1.057	50	20	DDGD	
CCOC(=O)c1nn(C)cc1/C=C(\C#N)C(=O)NC1CCCC1	292016677	ZLLPEVTXQDFAJE-DHZHZOJOSA-N	316.361	1.563	50	20	DDGD	
O=C(CCOc1ccccc1[N+](=O)[O-])NNC(=O)CC1CC1	294130550	LBFQYDGMAHFEEN-UHFFFAOYSA-N	307.306	1.311	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	299315602	NUTKQOKEMHMLDC-VXGBXAGGSA-N	324.352	1.722	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)[C@H]1CCCSC1	809983550	KJSUFNHHVORWPW-NSHDSACASA-N	318.402	1.327	50	20	DDGD	
CC[C@@H](C)[C@H](C)NC(=O)NNC(=O)c1ccc2c(c1)OCCO2	299177927	VKSWDSRFCYHSKS-MNOVXSKESA-N	321.377	1.836	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2ccc3c(c2)OCO3)SCCO1	806293157	WDXIFLKLVOGJLQ-UHFFFAOYSA-N	322.342	1.171	50	20	DDGD	
C[C@@H](CBr)CN1CC[C@@H](C(=O)N2CCCC2)C1	805810197	ARHXEPVIXQMFIG-NWDGAFQWSA-N	303.244	1.962	50	20	DDGD	
CC[C@](C)(C#N)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	803786085	XPLQFECEWBZJLQ-MRXNPFEDSA-N	317.345	1.239	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1ccc(OC(F)F)nc1	801953282	LKRYFNTVXOKFOK-UHFFFAOYSA-N	323.259	1.545	50	20	DDGD	
O=C(CN1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1)NNC(=O)c1cccs1	815160016	MCJRBCVYFWHVFR-WUHRBBMRSA-N	319.430	1.487	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@](C)(O)C2CCC2)c1	813366551	URIJHFKMIMRWJF-MRXNPFEDSA-N	322.361	1.016	50	20	DDGD	
COc1cnc(C(=O)NNc2cccc([N+](=O)[O-])c2C)nc1	815855359	OKQYBFIONSUUII-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
Cc1cc(C)c(C(=O)O)cc1C=NNC(=O)N1CCN(C)CC1	814912166	KXVGXCUTSJPGFS-UHFFFAOYSA-N	318.377	1.293	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	812446126	OHBBLCFKRIIWAB-NXEZZACHSA-N	309.322	1.274	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@@]2(CCCN2)C1	818612854	VYPYMWSCORYWSB-HNNXBMFYSA-N	310.829	1.707	50	20	DDGD	
O=C(NN=C1CC(c2ccccc2)C1)[C@H]1CCS(=O)(=O)C1	814781311	FDWQPHQUAYBHFC-UEWDXFNNSA-N	306.387	1.471	50	20	DDGD	
C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(C2CCC2)cc1	814835219	KPYXAIQAGBRFBQ-LLVKDONJSA-N	323.418	1.342	50	20	DDGD	
O=C(NNc1ncncc1F)Nc1ccn(-c2ccccc2)n1	814513618	UBXDVZPRGGACSS-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
Cc1ccc(-c2nc(C)c(C(=O)NNc3nc[nH]n3)s2)o1	816632873	CLNNVNBEJDCGSX-UHFFFAOYSA-N	304.335	1.895	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2ccc(Cl)cc2O)CC1(F)F	817710489	PEYLTWSPIVKCFV-LLVKDONJSA-N	304.680	1.852	50	20	DDGD	
CCC(=NNC(=O)NCC(=O)OC)c1ccc(Cl)c(N)c1	814900908	NNWURPNESGOIAJ-UHFFFAOYSA-N	312.757	1.509	50	20	DDGD	
Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NN(C)C1CC1	819643722	MFDTVZDWASCNIE-UHFFFAOYSA-N	315.421	1.952	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)COc1ccccc1OC	812445753	YVNBRFIJXSXURB-NEPJUHHUSA-N	324.377	1.140	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H](F)C(F)(F)F)cc1	816596975	YWJBUYVAYGOQBJ-QMMMGPOBSA-N	309.219	1.748	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc(F)cc1O	826448824	NOUBIAKGOKHUFH-UHFFFAOYSA-N	314.280	1.468	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NN=Cc2ccoc2C(=O)O)c1	825922402	BCJGKOUJHJGJLO-UHFFFAOYSA-N	316.273	1.095	50	20	DDGD	
CO[C@@H](C=NNC(=O)CNC(=O)OC(C)(C)C)CC(C)C	495942762	OWMNCQRQZDDBQM-LLVKDONJSA-N	301.387	1.674	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2ccc(O)c(O)c2O)n1	725856845	YCFKSGCXIUDPOG-UHFFFAOYSA-N	307.331	1.261	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1	826649138	ZWLDMTBRGVAKBK-IGJVIKARSA-N	321.352	1.437	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C\c1ccc(OCC(=O)OCC)cc1	490696282	ORFBCMXBRQYQQF-UVTDQMKNSA-N	314.341	1.838	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cc[nH]1	827030751	JRPYSILEFOAHQU-HUUCEWRRSA-N	312.329	1.967	50	20	DDGD	
C#CCN(Cc1ccc(F)cc1)S(=O)(=O)CBr	491178817	BSMHEVWYGLWLFS-UHFFFAOYSA-N	320.183	1.943	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(Oc2ccccc2)nc1	823971464	UPCXMULMLUXFFV-LBPRGKRZSA-N	301.346	1.831	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)C[C@@H](C)n1cccn1	822736860	XWBQMXRMQRNWIJ-SNVBAGLBSA-N	320.324	1.903	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccc(C(F)(F)F)n1	822777423	DSOMHRYBEQAANF-UHFFFAOYSA-N	304.272	1.845	50	20	DDGD	
COCCN(CCN(C)C)C(=O)[C@@]1(C)C[C@H]1Br	906578621	HBWIXYCEVYTKLI-PWSUYJOCSA-N	307.232	1.197	50	20	DDGD	
Cc1cc([C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C2)cs1	584977191	NKLBINCUOKXKHG-CYBMUJFWSA-N	315.203	1.366	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cnc(NC2CC2)s1	828199425	BIBYVNYGRYNKRZ-UHFFFAOYSA-N	308.285	1.431	50	20	DDGD	
CCCC1(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1	821028689	YAUDDAKHXAJBTC-UHFFFAOYSA-N	314.349	1.208	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCC(C)(C)c1ccccc1	825627957	SIEITWFBEIKFIX-JSGCOSHPSA-N	319.405	1.720	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)N[C@H]1CCS(=O)(=O)C1	905153344	NRQIQEURSNNREN-JTQLQIEISA-N	317.798	1.462	50	20	DDGD	
CN1C(=O)CCc2cc(/C=C(\C#N)S(=O)(=O)N(C)C)ccc21	588615812	FLGPMUSUIQAYCF-UKTHLTGXSA-N	319.386	1.351	50	20	DDGD	
Cc1nc(N2CCOCC2)ccc1NC(=O)NN(C)C1CC1	824247875	YIUXNRZMSREROR-UHFFFAOYSA-N	305.382	1.357	50	20	DDGD	
C[C@H](C=NNC(=O)[C@H]1CCCCO1)CNC(=O)OC(C)(C)C	497092063	HSUDYBCGWHXIGO-NWDGAFQWSA-N	313.398	1.818	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1[C@@H](C)NC(=O)c1cc(B(O)O)ccc1F	584994536	AVTZERPMUMNGDL-WZRBSPASSA-N	307.174	1.450	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCC(C)(C)c2cccnc2)cn1	491102704	ITCVQKIETQQZIN-AUWJEWJLSA-N	309.373	1.816	50	20	DDGD	
CN(C)c1ncc(/C=C(/C#N)C(=O)NCCc2ccccc2)n1C	490969511	DVQDZZSLEGNYNV-PTNGSMBKSA-N	323.400	1.752	50	20	DDGD	
Cc1ccc(SCCNCc2ccc(B(O)O)cc2)cc1	585017017	HUABHNDXCTWOHI-UHFFFAOYSA-N	301.220	1.557	50	20	DDGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2cnnn2C)cc1	490726016	MJRJWVCYGQLPKJ-XFFZJAGNSA-N	310.317	1.319	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)c1	905098599	NBGZDKITGIISOJ-ZLKJLUDKSA-N	317.414	1.846	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1	731176136	IQXLHJDLPFFJNS-UHFFFAOYSA-N	317.301	1.927	50	20	DDGD	
O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@H](B(O)O)C1	585074930	POCQHSFISAVKLT-VIFPVBQESA-N	320.135	1.498	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C1CCN(OC)CC1	834922806	NVJZUDPIBHJXAO-UHFFFAOYSA-N	307.350	1.203	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2CC[C@@H](c3ccccc3F)C2)c1	585040043	YWOALSJQSKHARR-GDBMZVCRSA-N	313.181	1.931	50	20	DDGD	
O=C(O)CCOc1ccc(C=NNC(=O)[C@H]2CCCCO2)cc1	834988581	LAKSHSDHVFLEDW-CQSZACIVSA-N	320.345	1.559	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(Br)co1	837676640	PYFFEHRVBBJSLV-MRVPVSSYSA-N	317.139	1.372	50	20	DDGD	
CCc1cc(CNC(=O)NNC(=O)Cc2ccccc2F)n[nH]1	738487918	GIEQYDRNFUVZLU-UHFFFAOYSA-N	319.340	1.184	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)C1=CCC(C)(C)CC1	836715344	KHJQHOFRFDBAHS-UHFFFAOYSA-N	309.410	1.575	50	20	DDGD	
CC(=O)N[C@@H](CCC(C)C)C(=O)NNc1ccc([N+](=O)[O-])cc1	830757691	SXSVUWFGWNOPCS-AWEZNQCLSA-N	322.365	1.979	50	20	DDGD	
CN(C)[C@H](C(=O)NNC(=O)c1ccc[nH]1)c1cccc(Cl)c1	732258292	QOPMFKKHMHRODG-ZDUSSCGKSA-N	320.780	1.732	50	20	DDGD	
CSC[C@H](C)NC(=O)NNC(=O)COc1ccc(C#N)cc1	737061586	SDMLOAZBLOZBBX-JTQLQIEISA-N	322.390	1.019	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1	732653649	FORAUUWWJCGHQU-LBPRGKRZSA-N	311.288	1.261	50	20	DDGD	
CN(C)c1cc(C(=O)NN=C2CCOC3(CCC3)C2)ccn1	834956565	NHSXXGWPNQIATP-UHFFFAOYSA-N	302.378	1.967	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)O)c(Cl)c1Cl	738061418	XJVPIWXCKUEXQC-UHFFFAOYSA-N	315.134	1.463	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cccnc2C)c1O	731050705	ACDMHEZFSRUAAX-UHFFFAOYSA-N	301.302	1.179	50	20	DDGD	
C[C@H]1C[C@H](C)CN(CCCCNCc2cccc(B(O)O)c2)C1	585016358	WPRHVGOKPDWVMK-HOTGVXAUSA-N	318.270	1.214	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1ccc(-n2cccn2)cc1	588616263	ZVBDGEHVFPNUEP-GXDHUFHOSA-N	302.359	1.628	50	20	DDGD	
COC1(CCNC(=O)NNC(=O)Cc2ccccc2C)CCC1	836474946	QQNYHZYMFAMMDO-UHFFFAOYSA-N	319.405	1.827	50	20	DDGD	
COCC1(C(=O)NNC(=O)CNc2ccc(C)cc2)CCCC1	839483240	XEHKIBVMQHQVJR-UHFFFAOYSA-N	319.405	1.761	50	20	DDGD	
CC/C(C)=C/C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1	838042213	QRKXFWJARUXRFX-DHZHZOJOSA-N	315.329	1.219	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CCN2CCOCC2)c1	916123552	VMJHDUYQXGVWKA-UHFFFAOYSA-N	322.434	1.035	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NN=C1COc2cc(O)ccc21	915944660	UAEBVSRRPVJFHE-UHFFFAOYSA-N	322.324	1.655	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CSC2=NCCS2)cc1	742445633	SJHMMKNAULTNHQ-UHFFFAOYSA-N	320.399	1.155	50	20	DDGD	
CN1CCNC[C@@H]1C(=O)NNc1c(Cl)cccc1Cl	912237216	XCNJFVRKXPGRGC-SNVBAGLBSA-N	303.193	1.340	50	20	DDGD	
COc1cc(CC(=O)NNc2ccnc(N(C)C)n2)ccc1C	740107726	MDIHIUKNAHCCMM-UHFFFAOYSA-N	315.377	1.545	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cc(C)n(CCOC)c1C	916354660	GXVGPMBWGMLLMC-UHFFFAOYSA-N	322.453	1.933	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)CNCCO2	841330383	DCHUGHJSJASWHA-JTQLQIEISA-N	306.366	1.367	50	20	DDGD	
O=C(O)CCNC(=O)NNc1ccccc1OC(F)(F)F	840991542	CIGVPBZNLNKCNL-UHFFFAOYSA-N	307.228	1.686	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cc1ccc2c(c1)CCCO2	843660518	UFXNUESRHHFKQB-BXUZGUMPSA-N	318.373	1.127	50	20	DDGD	
C[C@H]1CCC[C@](CNC(=O)NNC(=O)C(C)(C)C)(N(C)C)C1	919658481	RQIBWEQTMRVFOT-LRDDRELGSA-N	312.458	1.873	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H](F)CC1CCCCC1	843659220	XAHHKLTYXZIGFY-CYZMBNFOSA-N	300.374	1.867	50	20	DDGD	
CCC(CC)n1nc(C)cc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843661956	OWIHWYSPAZEYHP-WCQYABFASA-N	322.409	1.739	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)NC2CC2)cc1C(F)(F)F	747444797	YGBHODBHXGDCCI-UHFFFAOYSA-N	312.251	1.299	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(Br)cc1F	910176612	AHCHQDNEFRGEDJ-ZETCQYMHSA-N	305.147	1.546	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CCCC[C@H]2F)n1	840439008	HXUYHXDPUWHFCZ-VXGBXAGGSA-N	311.361	1.111	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CC=CCC1	910139560	BBAJVLWTGJSKPG-MLGOLLRUSA-N	312.410	1.398	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ncoc1-c1ccccc1	843652950	VLDIHLGSOPEBHG-JQWIXIFHSA-N	315.329	1.528	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)C[C@@H](C)n1ccnc1	844429552	SEXRNPFRYLYCFI-CYBMUJFWSA-N	300.362	1.533	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@](C)(C(=O)O)c1ccccc1	846127314	MKBNEDJHNDOFLN-INIZCTEOSA-N	321.377	1.405	50	20	DDGD	
CC[C@@H]1CCCN(CC(=O)NNC(=O)c2cccc(C#N)c2)C1	744387165	MDGBAVWMRGOUEL-CYBMUJFWSA-N	314.389	1.441	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cn1cccn1)c1ccccn1	746091898	NMORKVZQSBLHDF-UHFFFAOYSA-N	321.340	1.401	50	20	DDGD	
O=C(NN=Cc1cnc(-c2ccccc2)nc1)c1cnccn1	917545793	JAGVWGXIBPNDPI-UHFFFAOYSA-N	304.313	1.698	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CCSC2)cc1C	745899864	XOMFOEMMOPPUBO-GFCCVEGCSA-N	323.418	1.518	50	20	DDGD	
CS[C@@H](C(=O)NNc1nnc(C)c(O)n1)c1ccccc1	740085716	OJRUZYFRZUIGKA-SNVBAGLBSA-N	305.363	1.433	50	20	DDGD	
COC(=O)[C@@H]1CCN(C(=O)[C@@]2(C)C[C@@H]2Br)C[C@@H]1C	912689451	BCUXKXUCJIIMEN-WJZNIJOASA-N	318.211	1.818	50	20	DDGD	
CC(C)[C@@H]1CCc2c(sc(NC(=O)C(=O)NN)c2C#N)C1	841199710	NVELQFKRNYVEGW-MRVPVSSYSA-N	306.391	1.309	50	20	DDGD	
CC(C)Cc1c[nH]c(C(=O)NNC(=O)N=c2cc[nH]cc2)c1	840446494	YGPPSGRQKMFLDN-UHFFFAOYSA-N	301.350	1.497	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)Nc1cccc(C#N)c1	740901937	MBIFLWSWLZLDKY-UHFFFAOYSA-N	317.349	1.016	50	20	DDGD	
CC[C@@](C)(CNC(=O)NNc1ccc(CC(=O)OC)cc1)OC	845232253	OSMQORDDGKTRMS-INIZCTEOSA-N	323.393	1.843	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCO[C@H]2C)c2c(c1)C[C@@H](C)O2	842563153	WQCNQCJKXBZMST-JRPNMDOOSA-N	318.373	1.894	50	20	DDGD	
Cc1ccoc1C=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1	743429541	RTKHDVPHHSIWDO-RDBSUJKOSA-N	307.394	1.783	50	20	DDGD	
Cc1occc1C=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1	841614715	PDZOMFWDVAMNQA-JHJVBQTASA-N	307.394	1.783	50	20	DDGD	
CC(C)CO[C@H](C)C(=O)NNC(=O)Cn1cnc2ccccc21	920821169	VRSSQDWMUJHRNA-GFCCVEGCSA-N	318.377	1.245	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(CCN(C)C)cc1	847284989	ALOUBRHKTKAUJB-UHFFFAOYSA-N	306.435	1.086	50	20	DDGD	
COC(=O)c1ccc(C)c(NC(=O)NNC(=O)c2ccc[nH]2)c1	920933090	NQCLVURSUHYKDM-UHFFFAOYSA-N	316.317	1.576	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccccc1OCCOC	751526740	PSFQNKJKQHVPBM-UHFFFAOYSA-N	309.366	1.381	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c(C)n1	858121400	FFTAUTOYAMFZIU-UHFFFAOYSA-N	316.317	1.015	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)COc1ccccc1F)C1CC1	851916185	ZPBLTVZJDDRNIV-GFCCVEGCSA-N	309.341	1.724	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2CCCCS2(=O)=O)C[C@@H]1Br	857393473	GTFWBXPYGJDIMF-WCABBAIRSA-N	324.240	1.243	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cccc(OC2CC2)c1F	853313409	CMBWUOPPDLXAHX-LLVKDONJSA-N	324.352	1.869	50	20	DDGD	
COc1cncnc1NC(=O)NC[C@]1(C)C[C@H]1Br	856868605	CVYDFBDQNRRDQC-KCJUWKMLSA-N	315.171	1.780	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cnc3n2CCCC3)c1	750704733	GTGDXVXYIWYGKM-UHFFFAOYSA-N	309.329	1.166	50	20	DDGD	
CC(C)(C)c1nc(C(=O)NNC(=O)Cc2cc[nH]n2)cs1	755288092	FNTMLUCYGUWWLN-UHFFFAOYSA-N	307.379	1.167	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2c(C3CC3)cnn2C)ccn1	853305500	DAWDWNLCQZBKLT-UHFFFAOYSA-N	312.377	1.522	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CC(=O)NNc1ccnc(N(C)C)n1	754468611	URZOAPKDBCJWTJ-SECBINFHSA-N	318.381	1.784	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)OCC(F)(F)F)c1Cl	856019523	WYTJMBIDNXOEQJ-UHFFFAOYSA-N	300.624	1.007	50	20	DDGD	
C[C@@]1(CNC(=O)c2cccc(C(N)=O)n2)C[C@@H]1Br	857393187	FBPKBUDJJOVMND-CABZTGNLSA-N	312.167	1.084	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1cc(F)ccc1O	750938937	UKCFHYCUTBKATC-UHFFFAOYSA-N	319.292	1.395	50	20	DDGD	
CC(C)[C@H](NC(=O)NNC(=O)c1cn[nH]c1)c1ccc(F)cc1	858428053	NGYOHESSRDMWJY-ZDUSSCGKSA-N	319.340	1.890	50	20	DDGD	
N#CSCCCNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	854362761	ZPNONXQQMHIUAT-NSHDSACASA-N	321.377	1.899	50	20	DDGD	
Cn1nc(C(F)(F)F)cc1C=NNC(=O)NCC(F)(F)F	853292667	HWWAGIALGGXVMA-UHFFFAOYSA-N	317.193	1.634	50	20	DDGD	
Cc1nnc(NNC(=O)C[C@H](C)c2ccc(F)cc2F)nc1O	752612284	YFCCSMMKTGILCY-ZETCQYMHSA-N	323.303	1.801	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC(=NNC(=O)c2cc[nH]n2)CC1	853392227	GFWTZSBIVSARLV-UHFFFAOYSA-N	307.354	1.526	50	20	DDGD	
C[C@]1(O)CCCN(C(=O)NC[C@]2(C)C[C@H]2Br)C1	856955452	XCGDIEXMWMNWOF-USWWRNFRSA-N	305.216	1.716	50	20	DDGD	
O=C1N[C@H](C(=O)NNc2cc(Cl)cc(Cl)c2)CCO1	861297716	ZEFWCGNCBRFCIO-VIFPVBQESA-N	304.133	1.935	50	20	DDGD	
C[C@H](NNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(F)(F)F	862306204	GFBRAWOLFZCKJM-LURJTMIESA-N	315.251	1.098	50	20	DDGD	
CC(C)[C@H]1C[C@H](C(=O)NNC(=O)c2ccc(C#N)cc2)CCO1	931161748	DTWOLYJQFUYKBM-HUUCEWRRSA-N	315.373	1.770	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=C2C[C@H](C)N(C)C2)n1	761792242	CRAQIFZUUVREIU-NSHDSACASA-N	307.423	1.382	50	20	DDGD	
Cc1ccc(C)c(NC(=O)C(=O)NNC(=O)c2ccccn2)c1	763467549	QECDMZIQANLMOY-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
C[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccc(B(O)O)cc2)C1	868314400	UKJGTMWXJCCSIP-GUYCJALGSA-N	309.174	1.590	50	20	DDGD	
CCn1cc(C(=O)NNc2cccc(OC)n2)c(C2CC2)n1	867286871	LUIHREKZNUTIBJ-UHFFFAOYSA-N	301.350	1.941	50	20	DDGD	
CC(C)(CCC(=O)NNCC(F)(F)C(F)(F)F)[N+](=O)[O-]	863102249	XZNMCIYHAQGPKN-UHFFFAOYSA-N	307.219	1.640	50	20	DDGD	
OB(O)c1cccc(CNc2ccc(OCC(F)F)cc2)c1	864022295	NFOKHQVINJFLHV-UHFFFAOYSA-N	307.105	1.622	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCSC2)cc1C	761784093	RBPWNMJAJKDNOU-GFCCVEGCSA-N	308.403	1.583	50	20	DDGD	
C[C@H](OC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)C(=O)N(C)C	769981761	LAQPWBFDJCHQPA-AVWBDOJWSA-N	318.211	1.960	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1cc2n(n1)CCCO2	761681034	WYRKJXYQOIXSGK-UHFFFAOYSA-N	314.345	1.059	50	20	DDGD	
CN1C(=O)Cc2cc(S(=O)(=O)NCC(Cl)Cl)ccc21	867471296	GCMQLKQIVCLPIN-UHFFFAOYSA-N	323.201	1.288	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)c1cccc(F)n1	763282737	LPEVFABJGSRXFJ-UHFFFAOYSA-N	307.256	1.200	50	20	DDGD	
COCCOCC(=O)NNC(=O)C[C@H](C)c1ccccc1C	869909859	KVLUDEMUYGXPFY-ZDUSSCGKSA-N	308.378	1.299	50	20	DDGD	
CCOc1ccc(C(=O)NN=C2C[C@@H](C)N(C)C2)cc1OC	761805974	ZGKOQOPPGIKZIH-LLVKDONJSA-N	305.378	1.904	50	20	DDGD	
Cc1ccc(C(C)(C)C(=O)NNc2nnc(C)c(O)n2)cc1	768928519	QYFPXFADXQSVMP-UHFFFAOYSA-N	301.350	1.615	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)C2CCCC2)CCO[C@@H]1C1CC1	768531936	BULRDMYXIDWCDW-CZUORRHYSA-N	309.410	1.712	50	20	DDGD	
O=C(NN=C1CC[C@@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)C1	769776794	DLWPTRCCHQELQO-CHWSQXEVSA-N	306.387	1.471	50	20	DDGD	
C[C@@H](CN1CCCCCC1)C(=O)NN=Cc1cccnc1N	764667105	PFKUDWZKUPZAEU-ZDUSSCGKSA-N	303.410	1.626	50	20	DDGD	
CCC[C@@H](CC)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	873419794	BDVVPZJKEBKRDW-VXGBXAGGSA-N	300.399	1.938	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ncc(C)cc2C)c1O	779888520	VCUXRCKDVHRMOF-UHFFFAOYSA-N	315.329	1.487	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCc1cccs1	1118186382	DYQMMOSGXVMNEQ-PWSUYJOCSA-N	311.407	1.436	50	20	DDGD	
CC(=O)N1CC[C@@](C)(C(=O)OC[C@H](C)CBr)C1	770393047	UYBCJMAAJDPQOO-BXKDBHETSA-N	306.200	1.819	50	20	DDGD	
CCOCCC1(C(=O)O[C@H](C)C(=O)NNC(=O)CC)CCC1	772202047	ILYBGHCJKLEFQE-LLVKDONJSA-N	314.382	1.072	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	779723813	AOOHIBXBTASJEO-UHFFFAOYSA-N	317.345	1.200	50	20	DDGD	
O=C(CCCC(F)(F)F)NNC(=O)COc1ccccc1O	770742687	UHIFJWSPCHENBR-UHFFFAOYSA-N	320.267	1.651	50	20	DDGD	
COC(=O)c1cnn(C)c1NC(=O)NCCSSC	879690158	JBDBLWDGPGICLT-UHFFFAOYSA-N	304.397	1.339	50	20	DDGD	
CCN(CC(=O)O)C(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	776619838	ZBHAHFKMGFMRDJ-HOTUBEGUSA-N	304.184	1.873	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@H]1CCc2cc(O)ccc2C1	775071496	AXCRHTGZPQTHIV-ZDUSSCGKSA-N	303.362	1.380	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(Cl)s1	771847624	ULAPWYOYAXHFCS-LURJTMIESA-N	304.755	1.504	50	20	DDGD	
CCC1(C(=O)NNC(=O)c2cccc(C#N)c2)CCOCC1	778703426	FEMYQJQMWNUHGQ-UHFFFAOYSA-N	301.346	1.526	50	20	DDGD	
COCCc1ccc(OCCCC(=O)NN(C)C(N)=O)cc1	778412200	LDHIDAYPHCRIEP-UHFFFAOYSA-N	309.366	1.076	50	20	DDGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1CCc2c[nH]nc2C1	771591894	GTIFAHXYOSPDLS-MRVPVSSYSA-N	319.296	1.705	50	20	DDGD	
CCCCn1ncc(C(=O)NNc2ccnc(N(C)C)n2)c1C	772458725	RVFPUCULVHVKJK-UHFFFAOYSA-N	317.397	1.605	50	20	DDGD	
CN(C(=O)CNS(=O)(=O)CCCCl)C1CCCCC1	881964919	SNCLVACHUUDIGW-UHFFFAOYSA-N	310.847	1.326	50	20	DDGD	
C[C@H](NC(=O)NNc1cc(Cl)ccn1)[C@@H]1CN(C)CCO1	778705731	OIRBCDGVCXZVTG-ONGXEEELSA-N	313.789	1.080	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2ccncc2C)c1	771723723	MTQDIWMAAKNDCJ-UHFFFAOYSA-N	314.345	1.272	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2cc(F)ccc21)C1CCOCC1	883072351	JBZIICUBOAPDBA-CQSZACIVSA-N	306.337	1.430	50	20	DDGD	
COC(=O)N1CC(C)(NC(=O)[C@@]2(C)C[C@@H]2Br)C1	1120693891	PHVGBZQAEPBFGG-CPCISQLKSA-N	305.172	1.117	50	20	DDGD	
O=C(NC[C@H]1C[C@H]2C=C[C@H]1CC2)NNC(=O)c1cccnn1	883696168	XVDXZPXIUQMSBP-SDDRHHMPSA-N	301.350	1.023	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCc2sccc21)c1cccnn1	882056712	CVBJGBQNDZDXGS-SNVBAGLBSA-N	302.359	1.419	50	20	DDGD	
CN1C[C@H](C(=O)NNC(=O)C2CCCC2)c2ccccc2C1=O	782528259	ZQBOXMRXLFAIML-AWEZNQCLSA-N	315.373	1.193	50	20	DDGD	
Cn1ncc(Cl)c1C=NNC(=O)[C@H]1COc2ccccc2O1	780188926	QLTGQMJBHOVXQM-CYBMUJFWSA-N	320.736	1.364	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)C2CCCC2)s1	888895328	DBPHULTYZYNZHT-UHFFFAOYSA-N	311.363	1.878	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](CC(=O)NNC(=O)c2cccnn2)CCO1	882056631	BFYQNTOSZJNISF-AAEUAGOBSA-N	306.366	1.079	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNc2ccc(Br)nc2)CO1	784780972	ARIOHPQXKUBQIH-HTQZYQBOSA-N	300.156	1.712	50	20	DDGD	
C[C@@]1(CC(=O)NNC(=O)c2cccnn2)CC1(Cl)Cl	882057824	AOYKXPGTLNCLLE-SNVBAGLBSA-N	303.149	1.212	50	20	DDGD	
Cc1cccc(CCNC(=O)NNC(=O)C2CCOCC2)c1	883252997	GEEWWHKFDVNZJG-UHFFFAOYSA-N	305.378	1.295	50	20	DDGD	
CC(=NNC(=O)c1ccc(-n2cnnn2)cc1)[C@@]1(C)CCCO1	782168599	JFSDOCRGLTUYPJ-OAHLLOKOSA-N	314.349	1.337	50	20	DDGD	
COC(=O)c1cncc(C(=O)NNc2cccc(OC)n2)c1	780770547	JVVDEDPROVLTKU-UHFFFAOYSA-N	302.290	1.029	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1nc2c(s1)C[C@H](CC)CC2	789730735	ZRJQVCGBRVCNAL-MRVPVSSYSA-N	324.406	1.154	50	20	DDGD	
COCCOc1cc(C)ccc1NC(=O)NNC(=O)C(C)C	782555451	MZIAOFRGPCOCNG-UHFFFAOYSA-N	309.366	1.829	50	20	DDGD	
COc1ccc(NNC(=O)c2cccc(NC(N)=O)c2)nc1	781533945	QCDWJWZAZWWNHN-UHFFFAOYSA-N	301.306	1.338	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=Cc1sccc1Cl	782237684	AUHCPZKALGGYBR-UHFFFAOYSA-N	312.738	1.296	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)COc1ccc(F)c(F)c1	894255763	UERGWDNOQDPNNB-UHFFFAOYSA-N	300.305	1.927	50	20	DDGD	
O=C(NNc1ncncc1Cl)Nc1cnn(C(F)F)c1	782064934	NPAYWGLXJAYXJN-UHFFFAOYSA-N	303.660	1.870	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCN2CCC(C)(C)C2)n1	898595600	HBHQSYHDJLEUKU-UHFFFAOYSA-N	322.413	1.152	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCCN2C(C)C)cc1O	899943744	FHUDQJRGPMWQKR-CYBMUJFWSA-N	305.378	1.334	50	20	DDGD	
Cc1cnc2cc(C(=O)NNC(=S)NC(C)(C)C)ccn12	899999714	UMPUBTSJYFKDJY-UHFFFAOYSA-N	305.407	1.550	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NN=Cc2cnc(N)nc2)c1C	781584014	LVQHZDCIOWNNDH-GFCCVEGCSA-N	313.361	1.593	50	20	DDGD	
CC1(C)CCN(CCNC(=O)NNC(=O)c2ccccc2O)C1	898598816	ZIKBYPPFYKEOLZ-UHFFFAOYSA-N	320.393	1.068	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C2(c3ccccn3)CC2)cc1	895556890	MFACVKJMXQSWCH-UHFFFAOYSA-N	324.384	1.681	50	20	DDGD	
N#Cc1ccc(C[C@H](C#N)C(=O)NNC(=O)c2cccnc2)cc1	792012065	LZUMJYOQEPVGLZ-OAHLLOKOSA-N	319.324	1.097	50	20	DDGD	
Cc1nn(C(C)C)cc1C=NNC(=O)c1sc(N)nc1C	799106612	KSDNXGSDEFEJET-UHFFFAOYSA-N	306.395	1.883	50	20	DDGD	
CO[C@]1(C(=O)NN=c2cc[nH]c3ccccc23)CCSC1	896226083	GFAVRJGBCHXOCM-OAHLLOKOSA-N	303.387	1.622	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=S)Nc1cccc(F)c1	899484756	XYCCJXOHIBFZGE-SECBINFHSA-N	315.370	1.195	50	20	DDGD	
CN(C)c1ccc(CCC(=O)NNC(=O)c2ccncc2)cc1	792394273	JKSFJVVBGIVWKR-UHFFFAOYSA-N	312.373	1.541	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H](C)N1CCc2ccccc21	798305401	NZLKVCGBAOMHAG-LLVKDONJSA-N	304.419	1.119	50	20	DDGD	
COc1cc(NNC(=O)c2ccc3nnnn3c2)ccc1Cl	790170717	NEDSBQIXQVSNQE-UHFFFAOYSA-N	318.724	1.543	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cc(-c3ccccn3)no2)n1	794090305	RBFITEMGQLDMQS-UHFFFAOYSA-N	323.312	1.515	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2nc(Cl)ccc2F)n1	794086161	FMRNYOGHSYNNAX-UHFFFAOYSA-N	308.700	1.652	50	20	DDGD	
C#CCOc1ccccc1NC(=O)C(=O)NNc1ncccc1C	792378367	PAIGAAVDBAHMNB-UHFFFAOYSA-N	324.340	1.484	50	20	DDGD	
CC(=NNC(=O)CCN1CCCCCC1)c1ccc(O)nn1	790151466	IRDZNYIOSOJRRH-UHFFFAOYSA-N	305.382	1.289	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccc([S@@](C)=O)cc2)o1	797920520	RIHCMIKADKRDAF-JOCHJYFZSA-N	320.370	1.329	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)c1ccc2c(c1)OCO2	792790601	YPHJIQMTHUPSCF-NXEZZACHSA-N	318.329	1.182	50	20	DDGD	
COCC(=O)NNC(=O)Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1	799451633	BNWTZKBCMAQLJW-LPEHRKFASA-N	324.406	1.846	50	20	DDGD	
CC(=NNC(=O)c1ccncc1)c1ccc(C(=O)N(C)C)cc1	792868576	HHZUIVRFWZQGPG-UHFFFAOYSA-N	310.357	1.937	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(C(F)(F)F)nn1)n1ccnc1	1319586307	PVITZJSCMWDTIN-ZETCQYMHSA-N	300.244	1.396	50	20	DDGD	
O=C(NC[C@H]1CCc2ccccc21)NNC(=O)C1CCNCC1	1325311675	RHPVJNBDDKJNPP-CQSZACIVSA-N	316.405	1.046	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)C(=O)c2ccc(O)cc2)nn1	1329062685	SZSSFTLKXKXOJN-UHFFFAOYSA-N	314.345	1.806	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1	1325977590	YYORWGGFXRDCIT-YHQUGGNUSA-N	309.410	1.711	50	20	DDGD	
C=CCN1C(=O)C(=NNC(=O)C2CCOCC2)c2ccccc21	1333213922	CHDAATBWHOEMJO-UHFFFAOYSA-N	313.357	1.466	50	20	DDGD	
O=C(c1ccc(F)cc1Br)N1CC[C@H](B(O)O)C1	585068604	FHFHOHDFGKVTPA-ZETCQYMHSA-N	315.935	1.277	50	20	DDGD	
CCc1ncoc1C(=O)NNC(=O)Cc1ccccc1OC	1336494614	WLCUQAVVUAXBHC-UHFFFAOYSA-N	303.318	1.249	50	20	DDGD	
Cc1nc([C@H]2CCOC2)sc1C(=O)NNc1ncccn1	1331856174	CGRQXHOCHGIQMJ-VIFPVBQESA-N	305.363	1.502	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1ccc2cc[nH]c2n1	1337588912	AUUOGTNHXUUGMV-UHFFFAOYSA-N	324.344	1.240	50	20	DDGD	
CCC[C@H]1CCC[C@@H]1C(=O)NNC(=O)C(=O)NC(CC)CC	1261259350	FKTJMMWYBNCOFA-AAEUAGOBSA-N	311.426	1.655	50	20	DDGD	
Cc1cccc([C@H]2CCCN2C(=O)NNC(=O)c2cn[nH]c2)n1	1348123176	SASLLUZUZNQRLO-CYBMUJFWSA-N	314.349	1.305	50	20	DDGD	
C[C@]1(COC(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H]1Br	1345266662	QNGZXDLINBNANY-GMSGAONNSA-N	318.127	1.508	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)c[nH]1	1341065800	VCMYJRUBYIDEEX-UHFFFAOYSA-N	310.313	1.282	50	20	DDGD	
O=C(O)c1ccc2c(c1)CCN(S(=O)(=O)CCCCl)C2	1602418094	JRAOJAHLFOTKLQ-UHFFFAOYSA-N	317.794	1.702	50	20	DDGD	
Cc1cccc(NNC(=O)NCc2ccccc2CC(=O)O)n1	1600542178	AAFZTKUPPZBFHW-UHFFFAOYSA-N	314.345	1.843	50	20	DDGD	
CN(NC(=O)c1csc(-c2nn[nH]n2)c1)C(=O)OC(C)(C)C	1604826849	LSHQEYYPMXNQLA-UHFFFAOYSA-N	324.366	1.440	50	20	DDGD	
O=C(O)c1cc(NNC(=O)C2CCN(C3CC3)CC2)ccc1F	1602286283	ADNXFDGRJHRQJX-UHFFFAOYSA-N	321.352	1.841	50	20	DDGD	
N[C@H]1CCC[C@@H](NC(=O)NNc2ccc(C(=O)O)c(F)c2)C1	1608252216	FDHCUAOQVIAEDX-DTWKUNHWSA-N	310.329	1.420	50	20	DDGD	
O=C(O)C[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1ccccc1F	1602106448	PTDFXNWBXJGGNV-JOYOIKCWSA-N	323.324	1.413	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CC[C@H]3[C@H](C2)C3(F)F)nc1	1602384319	DVXJPXLMEHRIRB-JEZHCXPESA-N	311.288	1.904	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H](CC)C(=O)O)cc1C	1610024268	ZQCCXYYOVCIJQM-LLVKDONJSA-N	308.334	1.726	50	20	DDGD	
Cc1occc1C=NNC(=O)[C@H]1CCCO[C@@H]1c1ccnn1C	1549317994	XYACMJZJQYLFRJ-ZFWWWQNUSA-N	316.361	1.940	50	20	DDGD	
CC1(C)N[C@H](CCC(=O)NNC(=O)c2ccccc2F)CO1	1576488845	ITDNUUUZBZBQIP-SNVBAGLBSA-N	309.341	1.091	50	20	DDGD	
COC[C@H](N)C(=O)NNc1cc(Cl)ccc1Br	1579086942	OWIVGVGPALGWTB-QMMMGPOBSA-N	322.590	1.519	50	20	DDGD	
CC[C@H](C)C[C@H](N)C(=O)NNc1ccc(CC(=O)OC)cc1	1576981362	KBLXSLVUHPVRNZ-FZMZJTMJSA-N	307.394	1.609	50	20	DDGD	
CCOCc1nc(C)cc(NNC(=O)[C@H]2NCC23CCCC3)n1	1578126969	ITBQNHMSKOIGRF-CQSZACIVSA-N	319.409	1.297	50	20	DDGD	
Nc1ccc(C(=O)NNc2ccc(Br)nc2)cn1	1580439919	HTTYHHOBDGBRAY-UHFFFAOYSA-N	308.139	1.578	50	20	DDGD	
CC(C)(CCl)C(=O)N1CC2(CCCN2C(=O)c2ncc[nH]2)C1	1842301367	NPTMNYXIIVZKSO-UHFFFAOYSA-N	324.812	1.492	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H](C(=O)NNc2cccc(C(=O)O)c2F)C1	1598897640	HPHUBQRUWWOZKV-DTWKUNHWSA-N	324.308	1.556	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc(OCC(=O)O)c1	1594867220	YOUGUOWNYJQNFC-VIFPVBQESA-N	309.322	1.349	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)Nc1cncc(Cl)c1	1594781688	SPFWDRXDWQCJFV-UHFFFAOYSA-N	307.697	1.977	50	20	DDGD	
C[C@H](CNC(=O)NNc1ccc(CC(=O)O)cc1)N(C)C1CC1	1592676752	XQZNADKTAIQWCD-LLVKDONJSA-N	320.393	1.423	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@](C)(C#N)CC(=O)O)c1C	1593896606	CFSLEEGUMMHWMS-OAHLLOKOSA-N	319.317	1.229	50	20	DDGD	
O=C(NN=Cc1cc(Cl)ncc1C(=O)O)c1cccc(F)n1	1776093606	AMQCZESSTGNFRE-UHFFFAOYSA-N	322.683	1.731	50	20	DDGD	
CCc1ncsc1C(=O)NNC(=O)c1ccc(C#N)cc1	158288137	HGQYQJPCGDWSPM-UHFFFAOYSA-N	300.343	1.652	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)N(C)C)c1ccc(Br)cc1	152321366	MRJMLCWBRPOXKY-MRVPVSSYSA-N	314.183	1.855	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H](C)Cc2c(C)noc2C)nc1	157362296	ROZSBMRXOBHUIM-SECBINFHSA-N	319.365	1.952	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1ccncc1F	155498534	KUKCIOWWFHRJDD-UHFFFAOYSA-N	317.320	1.623	50	20	DDGD	
O=C(NNc1c(F)cccc1F)c1cccc(-n2cnnn2)c1	156551172	WSHCWRUJYIRKPE-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNC(=O)c1ccccc1O	159299195	CTCUNQNWRQSOON-SECBINFHSA-N	316.361	1.687	50	20	DDGD	
O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)NNc1cnccn1	114880391	AWWLJWCIDPDHHZ-UHFFFAOYSA-N	312.333	1.112	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc3c(s2)CCOC3)n1	174490297	HDFDDTWRWBAMMI-UHFFFAOYSA-N	320.374	1.685	50	20	DDGD	
CN(Cc1ccco1)C(=O)NNC(=O)CCOc1ccccc1	61011402	STHNCVLDBNLCGF-UHFFFAOYSA-N	317.345	1.921	50	20	DDGD	
O=C(CN(Cc1ccc(F)cc1F)C1CC1)NNC(=O)C1CC1	112977257	FDUDJHCIMGGNCJ-UHFFFAOYSA-N	323.343	1.487	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(OC)c([N+](=O)[O-])c1	64426431	OQLIZUYAAQSKHM-UHFFFAOYSA-N	310.310	1.348	50	20	DDGD	
C[C@H](Oc1ccccc1)C(=O)NNC(=S)N[C@@H](C)C1CC1	175553655	AIUXCWCHUPSEEM-QWRGUYRKSA-N	307.419	1.748	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1ccccn1	21023726	HGRQZOPDBWCHNT-UHFFFAOYSA-N	305.721	1.818	50	20	DDGD	
CCC(CC)n1nccc1C(=O)NNC(=O)c1cccnc1	119714690	VOJXTMTVZGRDTF-UHFFFAOYSA-N	301.350	1.714	50	20	DDGD	
O=C(NNc1cccnn1)NC1CCN(CC(F)(F)F)CC1	172495110	IAWRAMAEDXJZKI-UHFFFAOYSA-N	318.303	1.129	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cnn(C)c1)[C@H](C)c1ccccc1	174890711	OFJYSGJMXVQSGW-RYUDHWBXSA-N	315.377	1.556	50	20	DDGD	
COc1ccc(COCCC(=O)NNc2cnccn2)cc1	127669763	RMNLYHIISKMGGK-UHFFFAOYSA-N	302.334	1.535	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@@H](O)c1ccccc1	122490390	PTMMJTACUBFIMG-NSHDSACASA-N	300.343	1.868	50	20	DDGD	
C[C@H](CN1CCCCC1)NC(=O)NNc1cncc(Cl)n1	127475263	NWGXYXABCAYRRC-SNVBAGLBSA-N	312.805	1.631	50	20	DDGD	
CN1CCN(c2ccc(/C=C(/C#N)C(=O)NC3CC3)cc2)CC1	217078628	NAHLLUITQRPBRC-QINSGFPZSA-N	310.401	1.624	50	20	DDGD	
O=C(CCCCc1c[nH]nn1)NNC(=O)c1cccc(Cl)c1	186359561	VUVSUGUTAJXAAG-UHFFFAOYSA-N	321.768	1.632	50	20	DDGD	
C=C(C)CN(CC)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	120102247	POBPJRCLTCACTP-UHFFFAOYSA-N	320.349	1.254	50	20	DDGD	
CNC(=O)NCC(=O)NNc1c(Cl)cc(F)cc1Cl	126126921	QZZBTFPAIVLGRX-UHFFFAOYSA-N	309.128	1.505	50	20	DDGD	
COCc1nc(C)c(C(=O)NNC(=O)c2cccnc2)s1	121853856	MRRWJKODQDOWJR-UHFFFAOYSA-N	306.347	1.068	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)Cc1cccc(N(C)C)c1	120296846	ZNICDFDQLKYDJG-LBPRGKRZSA-N	306.410	1.130	50	20	DDGD	
CCCCc1ccc(NC(=O)C(=O)NNc2cnccn2)cc1	122284018	JJJGRPXVXSCYBK-UHFFFAOYSA-N	313.361	1.901	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1ccnc(F)c1	76452326	RRNVSHUUDSZVNH-UHFFFAOYSA-N	300.253	1.423	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2)cc1C	72576442	UTMBJSIZVFRSCA-UHFFFAOYSA-N	311.341	1.703	50	20	DDGD	
CC(C)[C@@]1(C)C[C@@H]1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	185203426	LLPLEIBIVOWCND-HYSWKAIVSA-N	318.373	1.656	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1scnc1C1CCCC1	183471377	WJDAMAWINBAUNS-UHFFFAOYSA-N	324.406	1.487	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)C[C@@H]2C=CCC2)nc2ccccc21	72778073	WWNJGHBXGFBPEW-GFCCVEGCSA-N	312.373	1.620	50	20	DDGD	
Cc1nn(C)c(-n2cccn2)c1C(=O)NNC(=O)OC(C)(C)C	187325209	QEMUNNRBKUQFNC-UHFFFAOYSA-N	320.353	1.084	50	20	DDGD	
CC(=O)N1CC(C(=O)NNc2ccc(C(F)(F)F)cn2)C1	187957139	OMPLBXZOHZVZBK-UHFFFAOYSA-N	302.256	1.022	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)COC1CCCC1	78192858	MNCPIZYTCPZIGR-UHFFFAOYSA-N	306.362	1.310	50	20	DDGD	
CC(=O)NCc1ccc(C(=O)NNc2nc3ccccn3n2)cc1	191919873	UTSNZKDGCTVUMZ-UHFFFAOYSA-N	324.344	1.122	50	20	DDGD	
N#Cc1cc(NC(=O)C(=O)NNc2ccccc2F)ccc1F	137246052	WPRJYUMRUZUMLG-UHFFFAOYSA-N	316.267	1.918	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cnn(C(C)C)c2)cc1	190453562	NWUDBSSXHVZORO-UHFFFAOYSA-N	315.377	1.646	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)Nc2cccc(F)n2)c1	134316938	XQMSOUQGRHCRNM-UHFFFAOYSA-N	317.324	1.753	50	20	DDGD	
O=C(CN1CCCC1=O)NNc1cccc(Br)c1	192521949	GWYVBELBMVBJDS-UHFFFAOYSA-N	312.167	1.515	50	20	DDGD	
CCc1c(C(=O)NNC(=O)NCC2CC2)cnn1C(C)(C)C	139303565	MKNJURKYQINOKN-UHFFFAOYSA-N	307.398	1.555	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)COCc2ccccc2)cc1	195399350	GPTDJOKEHQZCGQ-UHFFFAOYSA-N	309.325	1.536	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCCOc1cccc(F)c1	47066431	ZXOKPIIDWYMWJN-UHFFFAOYSA-N	313.329	1.943	50	20	DDGD	
Cc1noc(C)c1CCC(=O)NNc1nc2ccccn2n1	191901800	SLTDNLNYYUJKFU-UHFFFAOYSA-N	300.322	1.410	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2ccccc2OC(F)(F)F)CC1	190187759	XGAGIFUIASYZAX-UHFFFAOYSA-N	317.267	1.555	50	20	DDGD	
CCCC[C@H](NC(N)=O)C(=O)NNc1cc(C#N)cc(Cl)n1	92455109	NJKDTKBLKALBQA-VIFPVBQESA-N	324.772	1.277	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)C1(O)CCCCC1	267915191	GUFWOSSTYFJJJQ-UHFFFAOYSA-N	310.325	1.047	50	20	DDGD	
CC[C@@H](C)C[C@@H](C)NC(=O)NNC(=O)C(=O)Nc1ccccn1	268294521	SOWJFTNDNXZWOR-GHMZBOCLSA-N	321.381	1.175	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@H](CCO)CC(C)C	268003227	NJYYYWOURAMWST-CQSZACIVSA-N	321.421	1.984	50	20	DDGD	
CCC(O)(CC)CCNC(=O)NNc1cncc(Cl)n1	276514110	TWADNCWJEABMDN-UHFFFAOYSA-N	301.778	1.697	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H]1CC=CCC1	273216538	KIQPRSZLOOYDPA-QWRGUYRKSA-N	311.382	1.403	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncnc2ccsc12)c1ncn(C)n1	275432654	DZKVWDPLZUTMGY-SSDOTTSWSA-N	318.366	1.207	50	20	DDGD	
CN(C)C(=O)c1cc(NC(=O)NNC(=O)C2CCC2)ccc1F	272782618	FEORDFNKOUOWNE-UHFFFAOYSA-N	322.340	1.480	50	20	DDGD	
CN1Cc2ccccc2[C@H](NC(=O)NNC(=O)c2ccccc2)C1	372292927	FRIPMEMYOGNYEJ-MRXNPFEDSA-N	324.384	1.817	50	20	DDGD	
N#CC1=CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1	272352524	ANWHGHKBQDQZBW-CQSZACIVSA-N	303.318	1.490	50	20	DDGD	
C[C@@H](NC(=O)NNc1nc2ccccn2n1)[C@@H]1CCCCO1	276614530	AFDJCXRYQKPHMK-MNOVXSKESA-N	304.354	1.313	50	20	DDGD	
C[C@H]1CCC[C@H]1CC(=O)NNc1ccc(-n2ccnc2)nn1	286781320	XFIVBJPSRMUKKJ-RYUDHWBXSA-N	300.366	1.932	50	20	DDGD	
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NNC(=O)c1ccccc1C	281175634	BIXGESAMFSMEJO-UKRRQHHQSA-N	317.389	1.920	50	20	DDGD	
CCc1ccc2occ(C(=O)NNC(=O)C(=O)NC3CC3)c2c1	285131663	WHVVTKITDZGBNP-UHFFFAOYSA-N	315.329	1.035	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1ccnc(O[C@@H]2CCOC2)c1	286589622	NYXSGROOZIVABV-LLVKDONJSA-N	318.308	1.540	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)C1(S(C)(=O)=O)CCC1	281810340	QAOVPCKDRKYAHM-UHFFFAOYSA-N	310.419	1.968	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNc1cccc([N+](=O)[O-])c1C	289812101	NPFFXXHOWIDRMR-SECBINFHSA-N	309.322	1.936	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H](c2nncn2C)C(C)C)n1	287003995	RBTVKNNLGCMTOP-NSHDSACASA-N	318.385	1.245	50	20	DDGD	
COCCOc1cncc(C(=O)NNC(=O)CC(C)(C)C)c1	282394000	DVDHUVYKTGBRTK-UHFFFAOYSA-N	309.366	1.304	50	20	DDGD	
COc1c(C(=O)NNc2ccc([N+](=O)[O-])cc2C)c(C)nn1C	288521392	CJXYINBLQNANMA-UHFFFAOYSA-N	319.321	1.711	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	294194703	KQTPJIHECNRPKK-HZMBPMFUSA-N	316.361	1.060	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)C(C)(C)O)CCCC1	293024616	UZUJAJCIXWJWOE-UHFFFAOYSA-N	304.390	1.725	50	20	DDGD	
O=C(NNc1ccncn1)Nc1ccccc1O[C@H]1CCOC1	296672553	RLISWUFLYWBHFD-NSHDSACASA-N	315.333	1.793	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CC[C@H](C)C2)cc1	801109074	ZXXJNMZOXLEMNJ-NWDGAFQWSA-N	303.362	1.517	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@@H](CO)C(C)C	805318542	KPCQXTGHNLNNGJ-LBPRGKRZSA-N	301.818	1.733	50	20	DDGD	
O=C(NC[C@@H]1CCC2(CCCCC2)O1)NNc1ccncn1	296774367	IQNHMWMVVZOUBC-LBPRGKRZSA-N	305.382	1.985	50	20	DDGD	
CCC(=O)N1CCC[C@H](C(=O)NNC(=O)Nc2ccccc2)C1	801986732	TWCKJHIZQLSTJH-LBPRGKRZSA-N	318.377	1.488	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@H]2CCCCO2)[nH]c2c1C(=O)CCC2	295326592	GXYXNZZXTVRKGR-GFCCVEGCSA-N	319.361	1.172	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1	296470770	WOVJSIJJRTUVSO-AJNGGQMLSA-N	314.389	1.343	50	20	DDGD	
COC(=O)C(C)(C)CCNC(=O)NNC(=O)CC(C)(C)C	805767118	FUIDCBRNQFOCGP-UHFFFAOYSA-N	301.387	1.342	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2cc(C(=O)O)c(C)[nH]2)cs1	800807037	MASSNLLPICVZCJ-UHFFFAOYSA-N	306.347	1.479	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C2CCN(C)CC2)cc1	802059701	PSIZBLPFRQQOKB-UHFFFAOYSA-N	306.366	1.190	50	20	DDGD	
Cc1nc2ccccc2cc1C(=O)NNC(=O)N=c1cc[nH]cc1	802036541	ZNQUUTGPYZUHSW-UHFFFAOYSA-N	321.340	1.827	50	20	DDGD	
N#Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)cc1F	297271756	DKTIJTPLNGEGBH-LBPRGKRZSA-N	306.297	1.419	50	20	DDGD	
Cc1cc2occ(C(=O)NNC(=O)[C@@H]3CCCO3)c2cc1C	294480052	BPFLYXNNFVDUFS-ZDUSSCGKSA-N	302.330	1.990	50	20	DDGD	
CCOc1cc(C(=O)NNC(=O)Cc2ccccc2OC)on1	294880360	QDDQIFLHTCCUBL-UHFFFAOYSA-N	319.317	1.086	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@H](c1cccc(F)c1)N(C)C	298643866	HRXYLWWYWZGKBW-AWEZNQCLSA-N	324.400	1.805	50	20	DDGD	
Cc1ccc2nc(C(=O)NNC(=O)Cc3ccncc3)ccc2c1	815746303	DYHBQKHIUIDRRC-UHFFFAOYSA-N	320.352	1.942	50	20	DDGD	
O=C(NN=C1CCS(=O)(=O)CC1)c1ccc(Cl)cc1	814688113	KJIZHIYSXMHWQV-UHFFFAOYSA-N	300.767	1.634	50	20	DDGD	
O=S(=O)(CBr)N1CCOC[C@H](C2CCC2)C1	813758177	BMHKYVCVNFRFOR-SNVBAGLBSA-N	312.229	1.417	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1cnn2c1OCCC2	816565359	MUOQDEIMVTUBPA-UHFFFAOYSA-N	315.333	1.441	50	20	DDGD	
CN(NC(=O)CC[S@](=O)c1ccc2c(c1)OCCO2)C1CC1	819647673	QMKGSXSKGLDFFY-QFIPXVFZSA-N	324.402	1.081	50	20	DDGD	
O=C1CC(C(=O)NN=c2cc[nH]cc2)(c2cccc(Cl)c2)C1	810971205	UQQVGVBJQUCKKU-UHFFFAOYSA-N	315.760	1.901	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)c2ccnnc2)cc1	817692532	SBLIKCPWDZTMBQ-UHFFFAOYSA-N	314.345	1.730	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1ccc(Cl)cc1F)c1ccccn1	813362662	GKINRQYKFALKES-LBPRGKRZSA-N	323.711	1.369	50	20	DDGD	
CCCCNC(=O)NNC(=O)C(C)(C)c1ccc2c(c1)OCO2	814625124	FRVHUIRPHQGPGX-UHFFFAOYSA-N	321.377	1.823	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNc1ccc(C(F)(F)F)nn1	812540456	WPBQAWQPXSVCOU-JGVFFNPUSA-N	306.288	1.857	50	20	DDGD	
COc1ccc2c(c1F)CCC2=NNC(=O)Cc1cc[nH]n1	814955206	YTMORVITJAUDEY-UHFFFAOYSA-N	302.309	1.567	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)Cc2cc[nH]n2)cc1OC	814953639	KGTKPNGXLPAQGW-UHFFFAOYSA-N	316.361	1.900	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=Cc1n[nH]cc1C	814744537	KGPCKRIXUWIQTF-UHFFFAOYSA-N	310.361	1.781	50	20	DDGD	
O=C(NNC(=O)c1cnn2c1OCCC2)Nc1ccccc1	816595295	IENAGEBYSHWZAM-UHFFFAOYSA-N	301.306	1.132	50	20	DDGD	
O=C(COc1ccc2ccccc2c1)NN=C1COCCOC1	814790130	IUAGMVAIDMCKRU-UHFFFAOYSA-N	314.341	1.738	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)C[C@@H](C)n2cccn2)n1	819903566	ZALPKVQBNDSOIW-GFCCVEGCSA-N	317.397	1.614	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)N[C@@H]1CCc2c[nH]nc2C1	814313141	UIGJEFSDEXMVFD-SECBINFHSA-N	306.757	1.642	50	20	DDGD	
CC(CCN1C(=O)c2ccccc2C1=O)=NNC(=O)CC1CC1	814986710	LKPIUGOUBJWYPV-UHFFFAOYSA-N	313.357	1.965	50	20	DDGD	
CN(CCCNC(=S)NNC(=O)NC1CC1)c1ccccc1	726481122	XNJKPQZENIPWLG-UHFFFAOYSA-N	321.450	1.354	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)/C(F)=C/C2CCCCC2)nn1	826844036	XTVNAQVJVKDWEI-NTMALXAHSA-N	307.329	1.452	50	20	DDGD	
CC(C)Cc1ccc(C(=O)NNC(=O)c2ccnnc2)s1	823148781	UFKZXKYAUBHEOT-UHFFFAOYSA-N	304.375	1.811	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12	825806212	ZWUWGVMHOLSHRU-GRYCIOLGSA-N	308.403	1.969	50	20	DDGD	
CCN(CCSC)C(=O)NNC(=O)c1cccc(C#N)c1	825896494	XSSMZJVYBSUOJA-UHFFFAOYSA-N	306.391	1.598	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC1CCN(C[C@@H]2CCOC2)CC1	490781661	BPHHBMWPSFUYMZ-REQDGWNSSA-N	307.394	1.047	50	20	DDGD	
CCCN(N=Cc1cn(C)c(=O)n(C)c1=O)C(=O)OC(C)(C)C	495675124	AETLTOLZNZZGPJ-UHFFFAOYSA-N	324.381	1.065	50	20	DDGD	
CCn1ncc(C)c1NC(=O)NNC(=O)Cc1ccccc1C	825156136	OWVWVGGXHGWIGD-UHFFFAOYSA-N	315.377	1.915	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2c[nH]c3ccccc23)CO1	827606230	KYBBGVYQVPVYMK-NXEZZACHSA-N	302.334	1.289	50	20	DDGD	
COc1cccc(N2CC[C@H](NC(=O)NNC(=O)C(C)C)C2)c1	728220769	JONXYNZFTWFSJG-LBPRGKRZSA-N	320.393	1.260	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCCOCCF)cc1	824321011	MRXPNSIEJVOTKX-UHFFFAOYSA-N	313.329	1.014	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCC(C)(C)OCC1CC1	497298944	OLQXVEAHCHQLSQ-UHFFFAOYSA-N	301.387	1.931	50	20	DDGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC=C(N)N2)c1C	829815082	YPQVJEJQXMUPNB-XNTDXEJSSA-N	313.405	1.959	50	20	DDGD	
CN(C)c1noc(CNC(=O)/C(C#N)=C/c2ccc(F)cc2)n1	490696232	OJHUDMSDZBXNCN-YRNVUSSQSA-N	315.308	1.498	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cncs1	496966701	ZUDMHFGZWOMAHM-LLVKDONJSA-N	322.390	1.510	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(Cc1ccccc1)CC(C)(C)O	828729270	GRKDXQUJZUXVPJ-UHFFFAOYSA-N	321.421	1.063	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12)C(F)(F)F	826943581	YGTAKHJPUGHANX-XICLSFFLSA-N	313.279	1.468	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@@H]1[C@H]1CCCOC1)C1CCCC1	826623299	BTTKXHMPALKMAO-UONOGXRCSA-N	309.410	1.808	50	20	DDGD	
Cc1cc(/C=C(\C#N)C(=O)NN(C)C(N)=O)c(C)n1CC(C)C	490813939	SHIKRCNUHQZDCL-VGOFMYFVSA-N	317.393	1.710	50	20	DDGD	
CCN(CCO)NC(=O)c1cnc(-c2ccc(OC)cc2)s1	823860433	RYUPMZDCIBKKOR-UHFFFAOYSA-N	321.402	1.778	50	20	DDGD	
COCCOc1cccc(NCc2ccc(B(O)O)cc2F)c1	585012295	SOTURBNILSFFHP-UHFFFAOYSA-N	319.141	1.143	50	20	DDGD	
COC(=O)NN=C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C	496909110	LHVLLDGGWSROSC-SECBINFHSA-N	301.343	1.700	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CC[C@H]2CC[C@@]21c1ccccc1	585010353	OIKNAGXMCYOKEQ-VQIMIIECSA-N	321.185	1.518	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(Cl)c2c(c1)OCCCO2	823988416	RTIWRRNYJCCSRS-VIFPVBQESA-N	314.769	1.459	50	20	DDGD	
CC1CCN(C[C@H](C)NC(=O)NNC(=O)c2ccc[nH]2)CC1	822697268	ADWUEYKCUBFPMK-LBPRGKRZSA-N	307.398	1.079	50	20	DDGD	
Cc1nc(CSc2ccc(C(=O)NCB(O)O)cc2)cs1	585061265	OEHYNFDBHZHDLO-UHFFFAOYSA-N	322.220	1.486	50	20	DDGD	
CCCN(CC)Cc1ccc(C(=O)NN(C)[C@H](C)CO)cc1	823965213	KQFOOCZJSQYFSJ-CQSZACIVSA-N	307.438	1.876	50	20	DDGD	
Cc1c(C(=O)NNc2ccnc(N(C)C)n2)ccn1C(C)C	825984832	NHJSXAQNHLIACO-UHFFFAOYSA-N	302.382	1.990	50	20	DDGD	
O=C(CC1CCC1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	826404310	VVVZHHKZAIIARC-UHFFFAOYSA-N	307.745	1.548	50	20	DDGD	
COc1cc(/C=C(\C#N)C(=O)NCCCOC(C)C)sn1	901452669	ZAFQOWHERJFCRN-YRNVUSSQSA-N	309.391	1.990	50	20	DDGD	
CCNC(=O)NN=C1CCN(c2ccc([N+](=O)[O-])cc2)CC1	730145726	MHLDVIYLKPULMW-UHFFFAOYSA-N	305.338	1.870	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C(CC)COC	496723422	UMRFDKYFSICUEW-LBPRGKRZSA-N	311.382	1.432	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)[C@H]1CC12CCSCC2	825954555	WQSSCCLLUJLTCQ-MRVPVSSYSA-N	304.379	1.329	50	20	DDGD	
CC1(C)C[C@H](CNCc2ccc(B(O)O)o2)c2ccccc2O1	585044247	CLTBXRUIQCSLIU-GFCCVEGCSA-N	315.178	1.394	50	20	DDGD	
CCOC(=O)[C@@H]1CCCN(CC(=O)NCC(Cl)Cl)C1	908188503	WVPWGUSPVDHRBF-SECBINFHSA-N	311.209	1.181	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H](O)c1ccccc1C(F)(F)F	900396422	YFLRLKSPVVAVAY-SNVBAGLBSA-N	319.283	1.479	50	20	DDGD	
CN1CCC(N2CC[C@H](NC(=O)NNc3ccccc3)C2)CC1	734283357	IRRDFUZLHZGOOO-HNNXBMFYSA-N	317.437	1.481	50	20	DDGD	
CC(C)(C=NNC(=O)c1cnccn1)NC(=O)OC(C)(C)C	495932290	HKPVKLVVSONHMZ-UHFFFAOYSA-N	307.354	1.496	50	20	DDGD	
O=C(NC[C@H]1OCCc2ccccc21)NNC(=O)C1CCCC1	733652100	UPEJVLYWKJCZMA-OAHLLOKOSA-N	317.389	1.821	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](Cc2ccc(F)cc2)C1	736628922	LFWQZNGIKLXDFW-JSGCOSHPSA-N	321.396	1.636	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=C(CC)COC	496723421	UMRFDKYFSICUEW-GFCCVEGCSA-N	311.382	1.432	50	20	DDGD	
CSc1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cc1[N+](=O)[O-]	585075731	UPALOGSVECXOFP-SECBINFHSA-N	310.140	1.006	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1nccc2sccc12)C(C)C	734249336	UJLXQRPVMCFRHA-GFCCVEGCSA-N	306.391	1.900	50	20	DDGD	
Cc1cc(NNC(=O)c2n[nH]c(C)c2Br)ncn1	734254559	PQNXLLYKBHVOOL-UHFFFAOYSA-N	311.143	1.336	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ncoc1-c1ccccc1	732554107	XQMKCUYODCREPN-UHFFFAOYSA-N	300.318	1.696	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@]1(C)CC[C@H](C)C1(C)C	838443371	ZGIUEWDUOYIWGF-MMPTUQATSA-N	312.410	1.938	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CCc3nncn3C2)c(Cl)c1	836935219	PGCIORUDKPUVRM-SNVBAGLBSA-N	305.769	1.946	50	20	DDGD	
COCCN(C)NC(=O)Cc1ccccc1O[C@@H]1CCOC1	837627296	VIKDOPJLOHYZST-CQSZACIVSA-N	308.378	1.006	50	20	DDGD	
COc1cccnc1CNC(=O)NNc1nc(C)cc(C)n1	836660904	QOMZSOAAZGWALH-UHFFFAOYSA-N	302.338	1.323	50	20	DDGD	
CCN(C(=O)c1ccc(B(O)O)c(F)c1)[C@H]1CCCC[C@H]1C	584938730	AVPVDIKODAIZEV-ABAIWWIYSA-N	307.174	1.546	50	20	DDGD	
CCn1c(CNC(=O)NNC(=O)C2CCC2)nc2ccccc21	732235071	DOKJQVAECSKSEJ-UHFFFAOYSA-N	315.377	1.687	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@H]1CC[C@H](C)O1	838743956	HOSKCUPZICZPNX-WDEREUQCSA-N	307.350	1.207	50	20	DDGD	
Cc1nn(Cc2ccccc2)c(C)c1C(=O)NN(C)C[C@H](C)O	910177142	IJCNBHGVWXZDQN-LBPRGKRZSA-N	316.405	1.506	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNc1ccc(C(=O)O)cn1	833542837	KTMRNOIATBZZEJ-VIFPVBQESA-N	319.292	1.830	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)OCc2nc(C(C)(C)C)n[nH]2)cn1	837972506	VHYSRKWUVZTBAU-WZUFQYTHSA-N	314.349	1.486	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)NCC(=O)O)cc1OCC	833651974	JMBZAAQXYGJRSA-UHFFFAOYSA-N	323.349	1.592	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccnc(OC2CCCCC2)c1	910155185	KRBUPPJSWFVXNT-LBPRGKRZSA-N	307.394	1.751	50	20	DDGD	
CSc1c(F)cccc1C(=O)NNC(=O)[C@H]1CCCCO1	833235352	BORCJBSSAAMYSQ-LLVKDONJSA-N	312.366	1.878	50	20	DDGD	
O=C(CCc1ccccc1)NN=Cc1ccc(O)c(O)c1O	749747804	PNQZRDGCUZTOKE-UHFFFAOYSA-N	300.314	1.886	50	20	DDGD	
C[C@@H]1CCN(C)c2ccccc2N1CC(=O)NNC(=O)C1CC1	746473029	TUZZUWUQOOFAKY-GFCCVEGCSA-N	316.405	1.279	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNC(=O)C2CCC2)C12CCCC2	743701275	FANSQDNWGHIAKX-QWHCGFSZSA-N	309.410	1.855	50	20	DDGD	
COCCn1cc(C=NNC(=O)COc2ccc(C)cc2)cn1	743426882	FOGMMUCYSFKDKU-UHFFFAOYSA-N	316.361	1.367	50	20	DDGD	
CCNCCNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	841935251	SKZUOJUIFADIJU-UHFFFAOYSA-N	308.426	1.143	50	20	DDGD	
O=C(CCCn1cnc2ccccc21)NNC(=O)c1ccncc1	916091855	IFCDMUYNORCICN-UHFFFAOYSA-N	323.356	1.673	50	20	DDGD	
Cc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCCC1=O	913731392	GROCMNCNAUOKFS-UHFFFAOYSA-N	309.753	1.032	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(Cl)c(N2CCCC2=O)c1	746008811	WCIHCMBNZMUJIO-UHFFFAOYSA-N	324.768	1.383	50	20	DDGD	
CC(C)CNC(=S)NNC(=O)Nc1ccc2c(c1)OCO2	741854400	KVTZOMMZWQAOIK-UHFFFAOYSA-N	310.379	1.572	50	20	DDGD	
Cc1nn(C(C)C)cc1C(=O)NNC(=O)Cc1ccccc1F	846864805	KQSPYFVHMRNGIE-UHFFFAOYSA-N	318.352	1.915	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Cc1c[nH]c2ccccc12)[C@@H](C)O	842225185	TYHVUXMCVQTLJU-PWSUYJOCSA-N	303.362	1.265	50	20	DDGD	
O=C(NNC(=O)[C@H](C[C@H]1CCCO1)C(F)(F)F)c1ccc[nH]1	845106717	KJAWQJPJZMJELZ-BDAKNGLRSA-N	319.283	1.523	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NC1CCC(N)CC1	841944041	UQRKQYJWLMDTPT-UHFFFAOYSA-N	304.394	1.138	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)C(C)(C)c2ccccc2)CCN1	841984224	ACQOMTMAZATGGF-GXTWGEPZSA-N	318.421	1.435	50	20	DDGD	
Cc1noc(C(F)F)c1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843655429	VFXYEFVPFSCZIO-BQBZGAKWSA-N	303.265	1.107	50	20	DDGD	
CC(C)C[C@H](C)OCCC(=O)NNC(=O)[C@H]1CCO[C@H]1C	843652558	JYWNUGAEGYDYHF-AVGNSLFASA-N	300.399	1.400	50	20	DDGD	
O=C(NNc1nccc(N2CCOCC2)n1)C1CC2(CCC2)C1	844135453	QNEXKSPZUZJEML-UHFFFAOYSA-N	317.393	1.337	50	20	DDGD	
C=C(CN(C)C)C(=O)NNC(=S)Nc1ccc(OCC)cc1	841376035	PFRZJXMOAJEXPI-UHFFFAOYSA-N	322.434	1.521	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)c1ccccn1)C(=O)OC(C)(C)C	843749860	LYYXBEBTADIVLO-GFCCVEGCSA-N	321.377	1.457	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)CCc2ccccc2)CS1	840416039	BNOXSPHEQBGRSB-WCQYABFASA-N	307.419	1.844	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cccc2c1CCC2	844585367	NZCHLWCSLXBEAS-UHFFFAOYSA-N	301.390	1.930	50	20	DDGD	
CO[C@H](C(=O)NNC(C)=O)c1ccccc1Br	847283285	NYDLBGQZUPJMCU-JTQLQIEISA-N	301.140	1.304	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2F)CCN1C	745857929	MANLXXFWCOJEQH-QWRGUYRKSA-N	308.357	1.252	50	20	DDGD	
COCC1(CS(=O)(=O)NN(C)C(=O)OC(C)(C)C)CCC1	845945523	HFLZLTWPQNTPGW-UHFFFAOYSA-N	322.427	1.504	50	20	DDGD	
CC[C@H](C)Oc1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)ccn1	843660017	JKYLDPOSZQJUNF-GVXVVHGQSA-N	321.377	1.445	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](CN)C2CCCCC2)o1	841940654	SKAQRSWEMDGCGJ-LBPRGKRZSA-N	308.382	1.440	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1CCO[C@H](c2ccccc2)O1	847285222	FEBWDHJBDPDSOJ-OCCSQVGLSA-N	321.402	1.172	50	20	DDGD	
CCOc1cccc(CCC(=O)NNC(=O)Cc2cc[nH]n2)c1	859252437	OTFDGAJQYSMGDU-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
CCOCCNC(=S)NNC(=O)Cc1ccc(Cl)cc1	750976202	ATDLKLUGEDLSCX-UHFFFAOYSA-N	315.826	1.414	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)N[C@@H]1C=CCC1	852510695	SAGPIVVLORHMPZ-SNVBAGLBSA-N	307.375	1.533	50	20	DDGD	
O=C(CCN1CCOC1=O)NNc1cc(F)cc(Cl)c1	855619338	IMNLQSWKYPMBIH-UHFFFAOYSA-N	301.705	1.765	50	20	DDGD	
CCCC[C@H](COC)NC(=O)NNC(=O)c1cccc(F)n1	852122024	DOHFFGKBMNAINU-SNVBAGLBSA-N	312.345	1.370	50	20	DDGD	
CC[C@@H](C)N(CC)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	852292973	KGGPCBGBGGOJMD-LLVKDONJSA-N	322.365	1.476	50	20	DDGD	
Cc1ccoc1CC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	854218025	RPZIZBMLQGYMSR-LLVKDONJSA-N	320.320	1.885	50	20	DDGD	
CC(C)c1cccc(O[C@H](C)C(=O)NNC(=O)c2cc[nH]n2)c1	855359212	JVSKTJCYQYNHFJ-LLVKDONJSA-N	316.361	1.762	50	20	DDGD	
Cn1cnnc1COCC(=O)NNc1cc(F)cc(Cl)c1	855620145	MBAYEFJUWPXFAL-UHFFFAOYSA-N	313.720	1.268	50	20	DDGD	
COC(=O)CNC(=O)NN=C[C@@H]1CCC[C@H](C(F)(F)F)C1	853330974	ARINLIRXUPSRCH-BDAKNGLRSA-N	309.288	1.813	50	20	DDGD	
COc1nc(Cl)c(C=NNC(=O)N2CCOCC2)s1	755672624	NLVYRBDMNGNOOS-UHFFFAOYSA-N	304.759	1.181	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(F)c(Br)c1	756817330	JMHLVXMKUSRAPN-UHFFFAOYSA-N	320.118	1.387	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccc(Cl)c1)[C@H]1CCC(=O)N1	858132759	KAIBJICGQOLCQI-LDYMZIIASA-N	309.753	1.016	50	20	DDGD	
C[C@H]1Cc2cc(C(=O)NNC(=S)NCC3CCC3)ccc2O1	855093917	LSYYDBMIFTYNDX-JTQLQIEISA-N	319.430	1.919	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCc2nccnc2C)c1	858492944	GQCAUKBIXVOYDM-UHFFFAOYSA-N	319.390	1.342	50	20	DDGD	
C[C@]1(CCC(=O)NC[C@@]2(C)C[C@H]2Br)CCC(=O)N1	857395481	SCUYBOKJRVRTIK-WQAKAFBOSA-N	317.227	1.725	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@@H]2C[C@@H](C)O[C@@H]2C)c1	858540625	KEWQSLOZWZIWRE-MXWKQRLJSA-N	311.407	1.814	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ncccc1OCC(F)(F)F	752625686	FJWCFHOFRLCWQD-UHFFFAOYSA-N	317.267	1.584	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@]2(C)CCOC2)c1	754349973	AVHGMDYGRCGXDS-MRXNPFEDSA-N	306.362	1.256	50	20	DDGD	
O=C(NCCCN1CCCCC1)NNc1ncc(Cl)cn1	856832341	PWKSGPCLLAIJPW-UHFFFAOYSA-N	312.805	1.632	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cccc(C2OCCO2)c1	931099987	MYOZPVVNHJSOIL-UHFFFAOYSA-N	317.345	1.688	50	20	DDGD	
O=C(CNC1(Cc2ccccc2)CCCC1)NNC(=O)C1CC1	755241985	DWXJPFZCRRJRDV-UHFFFAOYSA-N	315.417	1.689	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1cccc(C2OCCO2)c1	757982290	LGVLTXCLOYNNOM-UHFFFAOYSA-N	313.313	1.202	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(OC)ccc1OC(C)C	756448820	GQGAXTLPKWITRN-UHFFFAOYSA-N	311.338	1.282	50	20	DDGD	
CS(=O)(=O)c1ccc(NNC(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)cc1	935020422	PENMGZZHRYGHQX-RJTWHSRJSA-N	320.414	1.825	50	20	DDGD	
Cc1coc2ccc(NC(=O)NNC(=O)[C@@H]3CCC(=O)N3)cc12	860974100	FKUQNKOQUFLSGE-NSHDSACASA-N	316.317	1.173	50	20	DDGD	
CC(C)(C)CCC1(O)CC(C(=O)NNC(=O)c2cn[nH]c2)C1	862469778	SZMYGPWURUTKAB-UHFFFAOYSA-N	308.382	1.138	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cccc2c1OCCC2=O	930764567	ULKVQYMTEXMBJV-UHFFFAOYSA-N	315.329	1.608	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1ccc(C)c(Cl)c1	866037838	GCJORHOAKSHPFO-UHFFFAOYSA-N	315.757	1.464	50	20	DDGD	
C=C(Cl)CNC(=O)NNC(=O)CSc1ccccc1O	763514166	YFMFVUSYEJMZCC-UHFFFAOYSA-N	315.782	1.567	50	20	DDGD	
C[C@@H](CO)C1CCN(S(=O)(=O)CC(C)(C)CCl)CC1	867463128	GMLHXKHMRNPDBO-NSHDSACASA-N	311.875	1.922	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1	866903575	KMPRYEBZOYYDMY-JTQLQIEISA-N	324.874	1.570	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc(C(F)(F)F)nc1O)C(F)(F)F	862306784	OMARBDWJFNXELV-SCSAIBSYSA-N	317.189	1.991	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@H]1CCO[C@]2(CCSC2)C1	769234101	GACVGIGUODWONK-SMDDNHRTSA-N	313.423	1.172	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@]2(F)CCOC2)cc1C	1119071104	JBXINTMAPJVIDI-CQSZACIVSA-N	311.382	1.750	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)Cc2cc(O)nc(S)n2)C[C@H]1C	767359841	JGBNTNHFRVMALE-RKDXNWHRSA-N	308.407	1.942	50	20	DDGD	
Cc1ccn2ncc(C(=O)NNc3ncccc3[N+](=O)[O-])c2c1	766857566	XUENCHMIUIMXOX-UHFFFAOYSA-N	312.289	1.703	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cc(C(=O)OC)cs1	872355022	NRFYWCFGZLRTSU-VIFPVBQESA-N	314.363	1.036	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc(OC)c(OC)c1C	872400698	PEOPMWONMGUULQ-UHFFFAOYSA-N	310.350	1.125	50	20	DDGD	
CC(CCOCc1ccccc1)=NNC(=O)C(=O)N1CCCC1	872346919	CXZGQVUCHRKHPP-UHFFFAOYSA-N	317.389	1.708	50	20	DDGD	
O=C(NNC(=O)C1(Sc2ccccc2)CC1)C1CCOCC1	1119504196	CAXUYZXZHUSKKB-UHFFFAOYSA-N	320.414	1.885	50	20	DDGD	
C#CCOCCC(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874953040	PWLAYAKTBJXAET-UHFFFAOYSA-N	320.418	1.110	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)/C=C/C2CCOCC2)cc1	1116052052	YEDAIMXWRZQHGD-FARCUNLSSA-N	304.346	1.439	50	20	DDGD	
O=C(CC1CCN(CC(F)F)CC1)NNC(=O)NCC1CC1	874194554	ZCHOCDLUGGUJFJ-UHFFFAOYSA-N	318.368	1.094	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H]2CCC(=O)N2C)c1	873756624	KMRODJBLYKGMMF-GFCCVEGCSA-N	320.418	1.242	50	20	DDGD	
CCC(CC)[C@H](C(=O)NCCCSC#N)N1CCOCC1	773572494	RMDBCKCSZQQWRP-CQSZACIVSA-N	313.467	1.844	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccc(OC2CCCC2)nc1	875062664	UFVNARWOUTYVIA-UHFFFAOYSA-N	322.365	1.815	50	20	DDGD	
CCC[C@@H](CNC(=O)NNc1ncc(Cl)cn1)OCC	875782161	KPBSVPGXLSEJBN-JTQLQIEISA-N	301.778	1.961	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NNC(C)=O)cc1C(C)C	872331844	YBJJJRNKIKHDMF-UHFFFAOYSA-N	300.380	1.538	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@@H](C)[C@H]2C)c1	777592526	VVEVSWJTGWWEKB-ZIAGYGMSSA-N	303.406	1.876	50	20	DDGD	
NC(=O)C1(C(=O)NNc2ccccc2OC(F)(F)F)CC1	779209756	SQEOLUVSMBNOGY-UHFFFAOYSA-N	303.240	1.294	50	20	DDGD	
O=S(=O)(CCCCl)NCCOc1ncccc1Cl	881988651	IGKJYFTVROKWNY-UHFFFAOYSA-N	313.206	1.662	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2ccnc(Br)c2)c1O	771553939	RATZOCPWSLVXLR-UHFFFAOYSA-N	312.127	1.338	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2cn3ccccc3n2)ccn1	789974719	WCIHLFXRLMAISS-UHFFFAOYSA-N	309.329	1.041	50	20	DDGD	
C[C@H](CCc1ccc(F)cc1)C(=O)NNC(=O)c1cccnn1	882055921	HOTUHWQQDVNJMB-LLVKDONJSA-N	316.336	1.646	50	20	DDGD	
C[C@@H](OC(=O)[C@@H](Br)C(C)(C)C)c1nnnn1C	787791724	ULJSFWJQJJWSKP-RNFRBKRXSA-N	305.176	1.624	50	20	DDGD	
COCCCNC(=O)NNC(=O)C[C@@H]1CCO[C@H](C(C)C)C1	781681431	JEDYJRKQUPGKQK-OLZOCXBDSA-N	315.414	1.195	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc(-n2ccnc2)cc1	883061311	PXRVDMQNLWTTOA-UHFFFAOYSA-N	314.345	1.060	50	20	DDGD	
Cc1cc(C)c(NC(=O)C(=O)NNc2cccnn2)c(Cl)c1	784858628	RRTAORYDXDHCTO-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2ccc(C#N)cn2)CN1C1CC1	888527057	UZHHPCXZLXIKHB-CMPLNLGQSA-N	300.366	1.205	50	20	DDGD	
C[C@@H](NC(=O)C1CCCCC1)C(=O)NNc1ccnc(F)c1	781358271	HTMXSIWKVTZBTM-SNVBAGLBSA-N	308.357	1.749	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)Cc2cc[nH]n2)CCC1	788504264	ORPSVUMOHDGAIM-UHFFFAOYSA-N	312.373	1.530	50	20	DDGD	
COCCOc1ccc(/C=C(/C#N)C(=O)O[C@H](C)COC)o1	899342356	USPNIJVEPXGIQO-HQQGHWSLSA-N	309.318	1.790	50	20	DDGD	
Cc1ncsc1CCC(=O)NNC(=S)NC(C)(C)C	899998430	NVFDSSVCYXYCEU-UHFFFAOYSA-N	300.453	1.678	50	20	DDGD	
O=C(NNC(=O)c1c[nH]nc1[N+](=O)[O-])c1cccc(Cl)c1	788263299	XQTWVAFFNQWQBA-UHFFFAOYSA-N	309.669	1.046	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccc(-c2cnn(C)c2)c1	780709144	CHPKDWVFSSXMJP-UHFFFAOYSA-N	301.350	1.393	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNc1ccccc1C(=O)OC	780729673	NRHHFJWYHLGGJJ-UHFFFAOYSA-N	308.334	1.506	50	20	DDGD	
CCN1CCC(CNC(=O)NNc2ncncc2Cl)CC1	781000662	KNWRZBNVGVMBOE-UHFFFAOYSA-N	312.805	1.488	50	20	DDGD	
CC1(C)CCN(CCNC(=O)NNc2ncc(F)cc2F)C1	898591005	NSDBBBFFWLORHL-UHFFFAOYSA-N	313.352	1.718	50	20	DDGD	
CN(CCc1ccccc1)CC(=O)NNc1nccnc1Cl	896385410	IFIXPHCLAFCALU-UHFFFAOYSA-N	319.796	1.748	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)Cc3cnc[nH]3)cc2C1	899960582	CWAZAZOPOQVMHH-SECBINFHSA-N	318.402	1.600	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)CNc1ccc(OC)cc1	794907530	XPFGXFAWFHRAAP-OAHLLOKOSA-N	309.366	1.070	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)Cn1cnc2ccccc21	792808637	YTAQPKNJEPOWNM-ABAIWWIYSA-N	318.377	1.245	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc2[nH]c(C(=O)NC)cc2c1	791918326	JXLQHAGGGBCFPA-UHFFFAOYSA-N	303.322	1.090	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	792811667	ZWETYMJIIXBTOQ-BDJLRTHQSA-N	317.389	1.919	50	20	DDGD	
CN(C)c1nccc(NNC(=O)C(C)(C)C2CCOCC2)n1	795122374	RQJBIZFDBWIYKS-UHFFFAOYSA-N	307.398	1.439	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=C1CCCC[C@@H]1N1CCCCC1	794458330	XJEYJXOOARHAHX-KRWDZBQOSA-O	315.441	1.875	50	20	DDGD	
Cc1cc(NNC(=O)c2cc3nccnc3cc2F)nc(C)n1	792644459	ZTDDAQSAJOIQIZ-UHFFFAOYSA-N	312.308	1.933	50	20	DDGD	
COCc1cc(C=NNC(=O)CNc2ccc(C)cc2)no1	794867008	YRJKXBQMTOYEPU-UHFFFAOYSA-N	302.334	1.692	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cccc(CS(C)(=O)=O)c1	791216119	HOTFCWCZIJWFHZ-UHFFFAOYSA-N	319.386	1.692	50	20	DDGD	
Cc1cccnc1NNC(=O)NCc1csc(N(C)C)n1	791025805	IGUPGBWKYQIROI-UHFFFAOYSA-N	306.395	1.739	50	20	DDGD	
Cc1cccnc1NNC(=O)COc1ccc([N+](=O)[O-])cc1	791215519	URIADSNUTJSZAD-UHFFFAOYSA-N	302.290	1.820	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@H]2Cc3ccc(F)cc32)n1	795121603	PEZBJOKKVDREBK-LBPRGKRZSA-N	301.325	1.465	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc(N2CCOC2=O)cc1	1317923655	PFTKQXHNDLLLES-UHFFFAOYSA-N	322.390	1.161	50	20	DDGD	
Cc1nn(C)cc1CCC(=O)NNC(=O)c1cccc(Cl)c1	1318529014	LRCVSWPQCUTNNP-UHFFFAOYSA-N	320.780	1.776	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCn2cc(Cl)cn2)cc1	1248746339	GHQOSARJQOXWIT-UHFFFAOYSA-N	322.752	1.396	50	20	DDGD	
O=C(CNC(=O)c1cc(Cl)ccn1)NNc1ccccn1	1320109253	QHZGICWDMGUUQV-UHFFFAOYSA-N	305.725	1.003	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNc1cncc(Br)c1	1320540422	POSHMDYRPICJDV-OIBJUYFYSA-N	300.156	1.712	50	20	DDGD	
CCc1cc(C(=O)NNc2nc(O)c3ccccc3n2)nn1C	1320261113	HKRNDOCDQMPYSO-UHFFFAOYSA-N	312.333	1.388	50	20	DDGD	
Nc1cnnc(NNC(=O)N[C@H]2CCCSC2)c1Cl	1324114327	WLNSXKOCDXWYDX-LURJTMIESA-N	302.791	1.234	50	20	DDGD	
O=C(NNc1nc(C(F)(F)F)cs1)C(=O)Nc1ccon1	1324380914	UUGURGSHIDXXSJ-UHFFFAOYSA-N	321.240	1.232	50	20	DDGD	
Nc1cnnc(NNC(=O)COc2ccccc2F)c1Cl	1324051199	VSSIDTYZCRJQOE-UHFFFAOYSA-N	311.704	1.373	50	20	DDGD	
Cc1ccc2c(c1)S[C@H](C(=O)NNc1cc(C)nc(N)n1)C2	1332486894	CCWOXNBQDYXCKV-LBPRGKRZSA-N	315.402	1.836	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CO[C@H]2CCOC2)c1C	1330618470	NIDSKSDOTJEWFV-LBPRGKRZSA-N	323.418	1.427	50	20	DDGD	
CO[C@H]1CCC[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)OCCO2	1338607386	HMAMRFWQXIKNKV-RYUDHWBXSA-N	320.345	1.034	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)N[C@H]2CCC[C@@H](F)C2)c1	1261454395	HQNOFXFHSUBCDK-OLZOCXBDSA-N	322.384	1.977	50	20	DDGD	
CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)CCl)cc1	1341509311	AXUOSTBWVPSAOF-UHFFFAOYSA-N	318.826	1.571	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)[C@H]1C	1351340041	AIHDMCIZPFBVTN-XHSYRHOGSA-N	320.393	1.109	50	20	DDGD	
C=CCn1cc(C(=O)OC[C@]2(C)C[C@H]2Br)nn1	1526044836	OATYNDCHNXXSSD-KOLCDFICSA-N	300.156	1.794	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@@H]2CC23CCOCC3)ccc1F	1602286432	FUWGEDNWITVDLF-NSHDSACASA-N	308.309	1.784	50	20	DDGD	
O=C(O)C1(C(=O)Oc2ccc([N+](=O)[O-])c3ncccc23)CC1	1608569261	SBVVBDPCVPHKFS-UHFFFAOYSA-N	302.242	1.913	50	20	DDGD	
C=C(CBr)CN1C[C@H]2COCC[C@@]2(C(=O)O)C1	1609257409	BMIBFIFQQDTWRU-CMPLNLGQSA-N	304.184	1.361	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)c1cncs1	1609559170	KNXCRXXJYKPLHI-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
CCn1nccc1NC(=O)NNc1ccc(-c2nn[nH]n2)cc1	1604624246	IEDDXSWZMLWUSU-UHFFFAOYSA-N	313.325	1.232	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@H]2CC[C@H]3CCCCN23)c1F	1608935632	AUARKEAGSRDOBZ-MFKMUULPSA-N	321.352	1.984	50	20	DDGD	
Cc1c(NNC(=O)N[C@H]2CCO[C@@H](C)C2)cccc1C(=O)O	1600050369	DICJQRLNQLNEJT-ONGXEEELSA-N	307.350	1.887	50	20	DDGD	
Cc1cnc(C(=O)NNc2ccc(C(=O)O)c(Cl)c2)cn1	1600617180	WFCDIYCNCMLVAI-UHFFFAOYSA-N	306.709	1.894	50	20	DDGD	
CCO[C@@H]1CCCC1=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1604412578	VKVJHRFCLQTUGD-CYBMUJFWSA-N	314.349	1.542	50	20	DDGD	
O=C(O)C1=NO[C@@H](C(=O)NNc2cccc(C(F)(F)F)c2)C1	1605970048	LGWQDHOQNCJLAQ-SECBINFHSA-N	317.223	1.378	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1cc(C)c(C)o1	1549319049	FZJULBSDXWLNLB-DZGCQCFKSA-N	305.378	1.600	50	20	DDGD	
O=C(NCCOC1CCC1)NNc1ccc(C(=O)O)c(F)c1	1610693618	WSLCGIYKZVMZDX-UHFFFAOYSA-N	311.313	1.719	50	20	DDGD	
Cn1cc([C@H]2OCCC[C@@H]2C=NNC(=O)c2cnsn2)cn1	1552919812	LEPGNBOGVHTAHT-SKDRFNHKSA-N	320.378	1.155	50	20	DDGD	
Cc1cc([C@@H](N)CC(=O)NN=c2cc[nH]c(C)c2)cc(Cl)n1	1579636220	WPLGNSXCKKWFTI-ZDUSSCGKSA-N	319.796	1.702	50	20	DDGD	
CCC1(C(=O)NNC(=O)[C@@H]2CCCNC2)CCC(F)(F)CC1	1577198800	XGJBETKTVWRZOQ-LLVKDONJSA-N	317.380	1.739	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)n1ccnc1	1574508945	RCINKLDUAQABCF-JTQLQIEISA-N	312.337	1.158	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc([N+](=O)[O-])c1)C1CCNCC1	1579484491	KJZCSKZSLLYWTM-JTQLQIEISA-N	307.354	1.609	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C[C@@H]2CCC[C@H]2N)c1	1579768055	NJDDBOJZYLHVGS-WCQYABFASA-N	306.435	1.830	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN1)c1ccc(Cl)c(C(F)(F)F)c1	1580732365	BBYQMPRRONXTTD-VIFPVBQESA-N	321.686	1.482	50	20	DDGD	
N[C@@H]1CCCn2nc(C(=O)NNc3cnc4ccccc4n3)cc21	1580192061	YOXQJRCSIULZDW-SNVBAGLBSA-N	323.360	1.377	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)C#CC1CC1)C2	1845163327	QGVPGMKQDOCWSR-ZDUSSCGKSA-N	308.809	1.621	50	20	DDGD	
CN(NC(=O)COc1cccc(-c2nn[nH]n2)c1)c1ccccc1	1591154029	CHUIGIAKULNLPS-UHFFFAOYSA-N	324.344	1.413	50	20	DDGD	
CC1(C)OCC[C@H]1NC(=O)NNc1cccc(-c2nn[nH]n2)c1	1590118076	KMBXIWCXKGRFQE-LLVKDONJSA-N	317.353	1.060	50	20	DDGD	
O=C(/C=C/c1ccc(C(=O)O)o1)NNc1ncc(F)cc1F	1594672996	UDXJWHJYXJBJGM-DUXPYHPUSA-N	309.228	1.808	50	20	DDGD	
CN(CCC(=O)NNc1ccc(C(=O)O)cn1)C1CCCCC1	1598469523	FXVZZTGUDGXZJH-UHFFFAOYSA-N	320.393	1.878	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)C1(C(=O)O)CC=CC1	1593889006	ZUBJJIKWIMRZBD-UHFFFAOYSA-N	304.302	1.337	50	20	DDGD	
COc1ccccc1NCC(=O)NN=Cc1cc(C(=O)O)co1	1599714378	UJVJHFRDUQPAFD-UHFFFAOYSA-N	317.301	1.549	50	20	DDGD	
CCN(CC(=O)NNc1ccc(C(=O)O)cn1)c1ccccc1	1596206889	KDLJJQZFXIJQDD-UHFFFAOYSA-N	314.345	1.749	50	20	DDGD	
CO[C@H](C(=O)NNc1ccc(F)c(C(=O)O)c1)c1cnn(C)c1	1599028468	LTEAPRGGLAPTEQ-LBPRGKRZSA-N	322.296	1.088	50	20	DDGD	
C[C@@H]1CCC[C@H](NC(=O)NNc2ccc(-c3nn[nH]n3)cn2)C1	1590243598	LMCCAOCGWVQWHC-KOLCDFICSA-N	316.369	1.467	50	20	DDGD	
CC1(C)OC[C@H](/C=C\C(=O)NNc2cccc(C(=O)O)c2)O1	1593979945	APTNSVUBKAUWQH-DGMVEKRQSA-N	306.318	1.536	50	20	DDGD	
O=C(NN=C[C@H]1C[C@]12CCOC2)Nc1ccc(C(=O)O)cc1	1776046989	QUEOOBNAAJUAFJ-ABAIWWIYSA-N	303.318	1.919	50	20	DDGD	
Cc1ccc(C=NNC(=O)c2cccc(F)n2)cc1C(=O)O	1776093678	DVWPTBASJAJIGU-UHFFFAOYSA-N	301.277	1.991	50	20	DDGD	
O=C(NNc1ncccn1)Nc1cnn(C[C@@H]2CCCO2)c1	161045968	RZNKTVOGMFTAQZ-NSHDSACASA-N	303.326	1.001	50	20	DDGD	
CCN1CCO[C@@H](C(=O)NNc2cccc(C(F)(F)F)c2)C1	151482251	BHTQDDWAWUDODD-GFCCVEGCSA-N	317.311	1.869	50	20	DDGD	
Cn1cc(C(=O)C(=O)NNc2ccccc2Br)cn1	153510664	YGLRUYRDQHHGDA-UHFFFAOYSA-N	323.150	1.509	50	20	DDGD	
CCCCS(=O)(=O)NCC(=O)NNc1cc(C)ccc1F	155298999	NRACDTKRKIWFJM-UHFFFAOYSA-N	317.386	1.297	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1ccc2ccccc2n1	156279673	PGCNLMFMWQBQTN-UHFFFAOYSA-N	305.301	1.658	50	20	DDGD	
NC(=O)COc1cccc(C(=O)NNc2ccncc2Cl)c1	154804170	ZSCCBVZBBVZILB-UHFFFAOYSA-N	320.736	1.356	50	20	DDGD	
CCC(CC)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1	103420546	BXEOAGMJTMHLIT-UHFFFAOYSA-N	319.409	1.277	50	20	DDGD	
C[C@@H]1CCC[C@@H](CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)C1	56817909	AZCLSEOCSHUMRW-YRGRVCCFSA-N	317.455	1.194	50	20	DDGD	
CSCCNC(=S)NNC(=O)Cc1nc(C)sc1C	179545755	OGAYPZIICKQKQJ-UHFFFAOYSA-N	318.493	1.161	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1cc(Cl)ccn1	102787469	NULCQXYWODMYGO-UHFFFAOYSA-N	316.708	1.937	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CSC[C@@H]1CCCO1	177914191	DOZYSAOURRSLCO-AWEZNQCLSA-N	322.430	1.597	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H]1CC(=O)N(CC)C1)c1ccccc1	110344259	WSXIJWPSIPKMNI-ZIAGYGMSSA-N	317.389	1.196	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1ccncc1)N1CCc2ccccc21	176772846	MNFKKXCCEJECHO-CYBMUJFWSA-N	324.384	1.223	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNC(=O)COc1ccccc1F	65579467	NSFDGOKOYHHYSW-NSHDSACASA-N	312.341	1.557	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)C(=O)N1CCCC1)c1cccc(F)c1	116184876	GKUDQXOWXDINAM-NSHDSACASA-N	321.352	1.089	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)N2CCOCC2)cc1	27338431	MSTPOVPGRMOPMR-UHFFFAOYSA-N	305.378	1.671	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	110758941	DCURYYJYXFQFKF-QPJJXVBHSA-N	315.289	1.101	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C[C@@H](C)NC(=O)C2CCCC2)n1	171364690	WNMVUBVSHHVENY-GFCCVEGCSA-N	319.409	1.622	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCc2ccccc2)c1	25108107	BPVSZFOZTYDJRY-UHFFFAOYSA-N	313.357	1.904	50	20	DDGD	
CC(C)[C@H](NC(=O)NNC(=O)c1cnn(C)c1)c1ccccc1	117956328	NBIJDXSIEVKAKB-AWEZNQCLSA-N	315.377	1.761	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCCCC2)N[C@H]1CCOC1	178772655	ZABOLNDUODPJSQ-NSHDSACASA-N	323.418	1.750	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)COc1ccc(C)cc1	126383958	GTFJGKRMAUFEIE-CYBMUJFWSA-N	306.362	1.502	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cn(C)c3ccccc23)O1	124142083	JMSQHNXEBAALBQ-HZMBPMFUSA-N	301.346	1.507	50	20	DDGD	
COc1ccc(C(=O)NNc2nc3ccccc3c(=O)n2C)cc1	70905457	YIDDXWRBUGWOGX-UHFFFAOYSA-N	324.340	1.699	50	20	DDGD	
Cc1ccc2c(CC(=O)NNC(=O)CN(C)C)coc2c1C	75653345	VZEFFMHWQBXTFJ-UHFFFAOYSA-N	303.362	1.301	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O	71832065	FUTLWOIAGDQLTO-UHFFFAOYSA-N	302.334	1.385	50	20	DDGD	
Cc1c(CCC(=O)NNC(=O)CCc2ccccc2)cnn1C	124193511	NIQDRLMLYOQINK-UHFFFAOYSA-N	314.389	1.441	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2cnccn2)c1Cl	122319483	QTILAIUAIPKYEM-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
CCc1nnc(NC(=O)NNC(=O)c2ccc(C)s2)s1	182840938	UTKGMUBFGOUEMC-UHFFFAOYSA-N	311.392	1.937	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C[C@H]2C=CCC2)c1	73315455	GSUFAVKPZYQKKI-LBPRGKRZSA-N	303.362	1.611	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cccn2C)cc1C	70695476	MODTXXIDGXYUDV-UHFFFAOYSA-N	301.346	1.482	50	20	DDGD	
C=CCNC(=S)NNC(=O)COc1cccc(C(C)C)c1	47683532	MBEIYEUKJXSAEX-UHFFFAOYSA-N	307.419	1.870	50	20	DDGD	
CCOCCCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	47063735	KZYNYJPUXJLXLA-UHFFFAOYSA-N	316.361	1.654	50	20	DDGD	
CC#CCCCC(=O)NNC(=O)CSc1ccccc1O	185964483	OGGAEWSQALTXNL-UHFFFAOYSA-N	306.387	1.825	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)C[C@H]1CCCCO1	87317037	YAMYMSQVZLEVDU-CQSZACIVSA-N	306.362	1.310	50	20	DDGD	
CCc1cccc(S(=O)(=O)NNC(=O)Cc2cccnc2)c1	80953869	SPHGQJISCPAWKH-UHFFFAOYSA-N	319.386	1.196	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNc2ncnc3ccsc23)c1	132811643	AEFNDGKGFLWZTN-UHFFFAOYSA-N	313.342	1.547	50	20	DDGD	
CC[C@@](C)(O)CNS(=O)(=O)c1ccc(CCCl)cc1	87029984	VOEPIGGPAMZWGT-CYBMUJFWSA-N	305.827	1.907	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C[C@@H]2CCCOC2)c1	194997057	DKRUWIFJYAUAHI-ZDUSSCGKSA-N	306.362	1.338	50	20	DDGD	
CN1C(=C(C#N)C(=O)CCC(=O)NC2CC2)N(C)c2ccccc21	47608195	ONUBSACZGYPSSR-UHFFFAOYSA-N	324.384	1.936	50	20	DDGD	
CO[C@H](C)C(=O)NNC(=O)c1cc(-c2ccc(C)cc2)n[nH]1	193587579	OVARGJNQABDODH-SNVBAGLBSA-N	302.334	1.181	50	20	DDGD	
C[C@H](CBr)CN1CCC(CS(C)(=O)=O)CC1	381518670	UKIKZRLDJFQZJE-SNVBAGLBSA-N	312.273	1.774	50	20	DDGD	
N#Cc1csc(C(=O)NNC(=O)Cc2ccc(F)cc2)c1	84169095	YGZWGPONGHOJMF-UHFFFAOYSA-N	303.318	1.763	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1	195399142	YAXDVLZOWOITTN-OAHLLOKOSA-N	307.309	1.323	50	20	DDGD	
Cc1nccn1C[C@H](C)CNC(=O)NNc1cncc(Cl)n1	194892586	HKNFFDSITOVCPS-SECBINFHSA-N	323.788	1.597	50	20	DDGD	
CO[C@@H]1CCCN(C(=O)NNC(=O)CCCc2ccccc2)C1	94032834	UZSCKOLDQQZWIT-OAHLLOKOSA-N	319.405	1.861	50	20	DDGD	
O=C(NNC(=O)c1cccnc1N1CCCCC1)c1ccc[nH]1	97406295	IBVYNKHRMYOQGG-UHFFFAOYSA-N	313.361	1.475	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NN=c1sc2ccccc2n1C	254955914	DCZGTAXAPFPQJW-UHFFFAOYSA-N	322.390	1.306	50	20	DDGD	
CS(=O)(=O)c1ccc(NC(=O)NNC(=O)C2CC=CC2)cc1	266530333	MLSNUVQRZZBFER-UHFFFAOYSA-N	323.374	1.209	50	20	DDGD	
Cc1cc(F)cc(S(=O)(=O)NNC(=O)CC(C)(C)C)c1	267086303	TUICSGNLVBWUKA-UHFFFAOYSA-N	302.371	1.880	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)C1CCSCC1	264921810	SHFAVFXMGYUQAY-UHFFFAOYSA-N	312.366	1.495	50	20	DDGD	
CCCCOCC(=O)NNC(=O)c1ccc(OCC)c(OC)c1	265438531	VFQYTZGCEGAQCZ-UHFFFAOYSA-N	324.377	1.672	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1Cc1ccccc1)C1CCC1	264658543	CXSVWTKTPFBPAU-OAHLLOKOSA-N	301.390	1.599	50	20	DDGD	
COc1cc(NNC(=O)[C@H]2CN3CCCN2CC3)ccc1Cl	364062874	JIKJZMJEFBFQFY-CYBMUJFWSA-N	324.812	1.182	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(C(C)(C)C(=O)OC)cc1	266375692	HHXCZJZFOCBBGM-UHFFFAOYSA-N	309.322	1.530	50	20	DDGD	
C#CCSCCNC(=O)NNC(=O)COc1cccc(C)c1	265796997	RUFRMRSLVMGFNB-UHFFFAOYSA-N	321.402	1.071	50	20	DDGD	
CCN(CC)C(=O)CCCC(=O)NNc1nc(C)cc(OC)n1	266950429	ROLPDDANCOKKTR-UHFFFAOYSA-N	323.397	1.275	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C(C)(C)C(C)C	276009450	XBRCCNGODWOPFK-UHFFFAOYSA-N	307.394	1.937	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cnc(C)nc2C(C)C)n1	279745695	BPDWZSMGHYMNJT-UHFFFAOYSA-N	313.361	1.687	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)C2(C)COC2)c1	272766924	SCOYULSWBBMLDC-UHFFFAOYSA-N	320.389	1.681	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1ccc(CC)c(CC)c1	275452385	IVMYYTDOLHFSQX-UHFFFAOYSA-N	313.423	1.666	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)/C=C/c1ccccc1Cl	275473972	MIBZVCHSEFPGAH-CMDGGOBGSA-N	317.798	1.806	50	20	DDGD	
CCCC[C@@H](NNC(=O)COc1ccc(C#N)cc1)C(=O)OC	270564856	LAOZNMFDXSEXBW-CQSZACIVSA-N	319.361	1.290	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NNc2cc(F)c(F)cc2F)C1	278406877	LKIQNFKLJCDJNR-MRVPVSSYSA-N	315.295	1.806	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCCc1ccccc1)C(=O)OC	276601646	KALSSWKREAXVKS-CYBMUJFWSA-N	306.362	1.356	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@H]1CCCc2c1cnn2C	276596348	AUUZFFGVYANTTG-LBPRGKRZSA-N	300.366	1.827	50	20	DDGD	
CCc1cccc(CC)c1NC(=O)C(=O)NNC(=O)CC1CC1	274111053	ZJFDXEGSJFKXFG-UHFFFAOYSA-N	317.389	1.697	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(N2CCOCC2)ccc1C	280883207	ZTGMUXMPQYZLBX-UHFFFAOYSA-N	308.338	1.224	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ncoc1-c1ccc(OC)cc1	289560179	YMZGGBZQRVETCW-UHFFFAOYSA-N	318.333	1.656	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cnn(C(C)C)c1	288069188	UFYFUQKGDYDQOB-UHFFFAOYSA-N	312.370	1.014	50	20	DDGD	
CN(NC(=O)c1cn(C2CCOCC2)nn1)c1ccccc1	289610314	UFDBHDMAPJEHLN-UHFFFAOYSA-N	301.350	1.411	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cccc(CC#N)c1	288120261	YMNRDVIIRFBQJP-UHFFFAOYSA-N	319.361	1.303	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)[C@@H](C)OC[C@@H]2CCCO2)c1	293919559	LRKLVJNAFOXTQE-ABAIWWIYSA-N	321.377	1.672	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)C2CCC2)OCCc2sccc21	291352716	YACWXIDJEHYVAU-HNNXBMFYSA-N	323.418	1.667	50	20	DDGD	
COCCN(C)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1	297025022	ILOOPHOCLCVZEG-UHFFFAOYSA-N	303.265	1.296	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CCC[C@H](O)CC2)cc(C#N)n1C	295079399	ZGEKXFJMAYUPOI-SBNBMVPLSA-N	312.373	1.486	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)C2=CCCCO2)cc1	802123421	QASUZKUAUWDYOV-UHFFFAOYSA-N	304.350	1.600	50	20	DDGD	
CC[S@@](=O)c1ccccc1C(=O)NNc1nc(C)cc(C)n1	298132498	DKXVEKWZTRMWFP-JOCHJYFZSA-N	318.402	1.978	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H](NC(=O)OC)C(C)C)cc1	293800087	BMDSXDPALSKCQQ-ZDUSSCGKSA-N	309.366	1.909	50	20	DDGD	
Cc1nn(C)cc1[C@@H](C)NC(=O)NNc1ncc(F)cc1F	297307095	QQQLURDYBZFTIM-SSDOTTSWSA-N	310.308	1.789	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@H](O)c1cccc(C(F)(F)F)c1	803079345	ZNGRISHRYGZPGL-GFCCVEGCSA-N	311.263	1.699	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1cc(C(C)=O)ccc1OC	298649023	UTYUFWFRZUXYFH-UHFFFAOYSA-N	321.402	1.122	50	20	DDGD	
N#C/C=C(\c1ccccc1)N1CCC[C@H](n2cc(CO)nn2)C1	293079318	WCCBBLHCENZOAH-SOWDNDCTSA-N	309.373	1.972	50	20	DDGD	
CC(C)c1scnc1C(=O)NNC(=O)Cc1cccnc1	290180321	FYNVIVGIMBCEKP-UHFFFAOYSA-N	304.375	1.665	50	20	DDGD	
COC(=O)c1ccc(CC(=O)NNc2nc(C)cc(C)n2)cc1	294613851	YFBFDGXAKZBDAI-UHFFFAOYSA-N	314.345	1.566	50	20	DDGD	
Cc1onc(CC(=O)NNc2nccnc2C2CCC2)c1C#N	805464847	HNTJDZWWUDLTHQ-UHFFFAOYSA-N	312.333	1.598	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)COCc2cccnc2)c1	807182751	HZFBTNZNRUGGCB-UHFFFAOYSA-N	317.736	1.662	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C1CC(C)(C)C1	806365196	JYPCOJRUCXWYRY-UHFFFAOYSA-N	305.378	1.691	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1cc(F)ccc1[N+](=O)[O-]	298864012	QKYXHPPVVCPUSS-UHFFFAOYSA-N	319.314	1.090	50	20	DDGD	
COCc1cccc(CC(=O)NNC(=O)[C@H]2CCCCO2)c1	295691971	ZGNZLXXUHXCVFB-CQSZACIVSA-N	306.362	1.092	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)c2ccn(C)n2)c1	802108145	PLVPEJAOHWMSHZ-UHFFFAOYSA-N	323.740	1.549	50	20	DDGD	
COc1cccc(O)c1C=NNC(=O)[C@@H](C)CN1CCCCC1	812489854	HMPBECALVGYNBY-ZDUSSCGKSA-N	319.405	1.973	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=C2CCC[C@@H](C#N)C2)c1	814802121	SMMJUGAYMIZBBI-LLVKDONJSA-N	319.386	1.890	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)CC2CC2)c1Cc1ccccc1	819140669	LYPCOFQPGAGTKS-UHFFFAOYSA-N	312.373	1.572	50	20	DDGD	
COc1cc(C(=O)NNc2nc[nH]n2)sc1Br	816633876	PLIAJONWKAUMIS-UHFFFAOYSA-N	318.156	1.394	50	20	DDGD	
O=C(CCc1cccc2c1OCO2)NNc1ncncc1F	817078906	ZPDNXJHRZBVENN-UHFFFAOYSA-N	304.281	1.420	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)c1cn(C2CCOCC2)nn1	810351040	JJDOKVATWLONAO-UHFFFAOYSA-N	323.303	1.665	50	20	DDGD	
COCc1c(C(=O)NN(C)C2CC2)cnn1-c1ccccc1	819649333	BHMVJLZVKNIIKR-UHFFFAOYSA-N	300.362	1.758	50	20	DDGD	
CCC(C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)(CC)CC	814815936	JYGOOHFUQBLEOC-LLVKDONJSA-N	303.428	1.675	50	20	DDGD	
Cn1ccc(C=NNC(=O)c2nn(-c3ccccc3)cc2O)n1	814759511	FMYGKIVLXCVFAH-UHFFFAOYSA-N	310.317	1.075	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)C1=CCOCC1	819426920	CGVCFISPUIHFLC-UHFFFAOYSA-N	311.432	1.133	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCc1cccc(OC(F)F)c1	819478020	KIAWTCAUJXUMCN-UHFFFAOYSA-N	315.320	1.913	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2n[nH]c(C)c2O)cc1C	812723862	TWKIZBDKGXHWTF-UHFFFAOYSA-N	318.333	1.666	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ncccc2Cl)nc1	815878425	FBLCVRKFNFCULP-UHFFFAOYSA-N	306.709	1.674	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2nccs2)n1	814709158	SSUKBONGGRWYGP-UHFFFAOYSA-N	307.404	1.792	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	819122531	CSSWSEYNCQPKKZ-OYBPUVFXSA-N	306.284	1.290	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NOC/C=C/Cl	811983238	KZDLUNPPFZJAIO-LZCJLJQNSA-N	301.705	1.383	50	20	DDGD	
O=C(C[C@@H]1CC[C@H]2C[C@H]12)NNC(=O)c1ccc2c(c1)OCCO2	822293337	UKXPSUWLKWXJQU-GVXVVHGQSA-N	316.357	1.655	50	20	DDGD	
CN1CCCC[C@@H](C(=O)NNc2cccc3cnccc23)C1=O	821164131	WINWLCOWWUAVLK-AWEZNQCLSA-N	312.373	1.936	50	20	DDGD	
O=C(/C=C/c1cccc(O)c1)NNC(=O)NCC(F)(F)F	492385367	IUSYMFJWXFRNSO-SNAWJCMRSA-N	303.240	1.298	50	20	DDGD	
O=C(NNc1ncncc1F)[C@]1(c2ccccc2)CCCO1	820385802	JCTWUIXHUFBXGW-OAHLLOKOSA-N	302.309	1.765	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc2[nH]c3c(c2c1)CN(C)CC3	823921957	FZOWYIVITYUKCC-LLVKDONJSA-N	316.405	1.113	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2c[nH]c(C(F)(F)F)c2)n1	825985084	XISDZTHMGFOQHT-UHFFFAOYSA-N	314.271	1.646	50	20	DDGD	
CC(C)[C@@H]1CN(C(=O)/C(C#N)=C/c2cnn(C)c2)CCS1	491102239	HHCAKUIJXQVTKD-BLXFFLACSA-N	304.419	1.927	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1cccc(-c2nn[nH]n2)c1	823280795	GIIALBNNQWIZFF-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
Cc1c(C(=O)NN(C)[C@H](C)CO)cnn1Cc1ccccc1	823970647	JAWKAPKLUFVJBA-GFCCVEGCSA-N	302.378	1.197	50	20	DDGD	
C[C@H](C(=O)NNc1cc(C#N)ccc1Br)N(C)C	824491439	ZFSJWKFVBPWICG-MRVPVSSYSA-N	311.183	1.714	50	20	DDGD	
O=C(NC1CCC(C2CCC2)CC1)c1ccc(B(O)O)cc1	585008228	GTPGBLNRSHKOBW-UHFFFAOYSA-N	301.195	1.455	50	20	DDGD	
Cc1nn(C)cc1/C=C(/C#N)C(=O)Nc1ccccc1C(=O)O	490784114	WZCIIZGYURHZCY-XFFZJAGNSA-N	310.313	1.972	50	20	DDGD	
O=C(Cc1coc2c(F)c(F)ccc12)N1CC[C@@H](B(O)O)C1	902552263	YJFWPGIDRPQKSX-SECBINFHSA-N	309.077	1.329	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cnn(CC3CCC3)c2)n[nH]1	901165450	ZBQOICRXGSCHPI-UHFFFAOYSA-N	300.366	1.408	50	20	DDGD	
C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)/C(C#N)=C\c1cnn(C)c1	491051196	RSURDJVPIKBYPY-BGIZOQGKSA-N	313.405	1.412	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(C)c(N2CCOC2=O)c1	494657939	CVSJRQDFYWMHBY-UHFFFAOYSA-N	322.321	1.734	50	20	DDGD	
O=C(NN=C1CN2CCC1CC2)c1cnn(-c2ccccc2)c1	733077415	XGLGXDPGDJEOPJ-UHFFFAOYSA-N	309.373	1.684	50	20	DDGD	
O=C(CN1CCCCC1=O)NNc1nccc2sccc12	734250247	SAEHWVDFGPFPIT-UHFFFAOYSA-N	304.375	1.752	50	20	DDGD	
C[C@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1)c1cnn(C)c1	826071555	MPTNWCZQAZEULL-QMMMGPOBSA-N	319.273	1.736	50	20	DDGD	
Cc1nnc(NNC(=O)c2csc(-c3ccoc3)n2)nc1O	731050427	KEURKGHGAGBPSU-UHFFFAOYSA-N	318.318	1.359	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCC(C)(C)c1cccnc1	826979291	LADULJRNPISMIB-AAEUAGOBSA-N	320.393	1.115	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1cc2c(nc1O)CCC2	734261434	YBHPDBDYDFJZKD-UHFFFAOYSA-N	305.725	1.476	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccccn1)c1cccc(-c2nn[nH]n2)c1	820372823	BRWRYMGGEIRKJP-SNVBAGLBSA-N	324.348	1.649	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2C[C@@H](O)C(C)(C)C2)cc(C#N)n1C	490906323	CNXXAHIGTBZTAV-DTHCKZEYSA-N	312.373	1.341	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)[C@@H]1C[C@H]1C1CC1	495352045	JFEKGROWMWCRSH-WDEREUQCSA-N	311.382	1.095	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)O[C@H]2CCN(C)C2=O)cc1	734884230	RKYBZIGDILBIIG-UQTJOTSZSA-N	300.314	1.376	50	20	DDGD	
CCCN(NC(=O)C(C)(C)S(C)(=O)=O)C(=O)OC(C)(C)C	495696044	PJRBKVVVTGYMFM-UHFFFAOYSA-N	322.427	1.488	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)cc1)[C@H]1CCCN(C2CCC2)C1	585033957	DEQAETZQITZNDY-HOCLYGCPSA-N	316.254	1.109	50	20	DDGD	
Cc1nc2ccc(NC(=O)NNC(=O)[C@H]3CCO[C@@H]3C)cc2o1	831184334	NTXPISSKTLVYFA-KCJUWKMLSA-N	318.333	1.714	50	20	DDGD	
O=C(COCC1CCCC1)NNC(=O)c1ccc2c(c1)OCO2	836202328	OBLJMHHCDAZSLL-UHFFFAOYSA-N	320.345	1.383	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H]2CCN(C3CC3)C2)cc1	734285331	KEDWXHVIOAWRLQ-CQSZACIVSA-N	316.405	1.430	50	20	DDGD	
Cc1nc(C)c([C@H](C)NC(=O)c2ccc(B(O)O)c(F)c2)s1	584933625	IIUCNWYECVYTFB-QMMMGPOBSA-N	322.170	1.070	50	20	DDGD	
Cc1ncc(CCNC(=O)NNc2ncc(F)cc2F)s1	838522490	NVYBOTJQOBAMPJ-UHFFFAOYSA-N	313.333	1.994	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H](C)CC(=O)O)cc1C	832949056	NDYDTEOGNNMLLH-SNVBAGLBSA-N	309.391	1.732	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCCc1ccc(NC(=O)O)cc1	737130287	WOTXPUBEUBFRFS-BENRWUELSA-N	303.318	1.879	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2nn(C)cc2C)cc1	839572634	UNFBOJRGXYVYGL-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](CC)CC(F)(F)F	838115673	CDJOKFYYHNMXHT-YUMQZZPRSA-N	312.288	1.454	50	20	DDGD	
CO[C@H](C=NNC(=O)COCc1ccccc1)C1CCOCC1	834959526	URWSJZKXMXRLOH-MRXNPFEDSA-N	320.389	1.747	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCC[C@H](O)c2ccccc2)n[nH]1	831423390	DISSLLXFLKNGEH-AWEZNQCLSA-N	316.361	1.383	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNC(=O)c1cn(C)c2ccccc12	731865820	SRWHRLCDMSBKGI-HNNXBMFYSA-N	314.389	1.424	50	20	DDGD	
C[C@H](N)C[C@@H](C)NC(=O)NNc1cccc(Br)n1	831223656	FOPOWHLSMMMWJP-JGVFFNPUSA-N	316.203	1.596	50	20	DDGD	
Cn1cc(-c2ccc(C(=O)NNC(=O)[C@H]3CCCCO3)o2)cn1	833236649	UJMNRMLOVMPGKA-GFCCVEGCSA-N	318.333	1.010	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCOC(C)C)cc1C	914748974	RBAQDJPCDIBPHO-UHFFFAOYSA-N	308.378	1.645	50	20	DDGD	
CCc1ccc([C@@H](C)CC(=O)NNC(=O)c2ncon2)cc1	832825968	NFWYMASELJFFJL-JTQLQIEISA-N	302.334	1.587	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)c1ccnn1CCN(C)C	912306519	CUCFHLWJMGDWEJ-UHFFFAOYSA-N	305.357	1.649	50	20	DDGD	
CN(C)c1cc(CNS(=O)(=O)CCl)c2ccccc2n1	830754309	DPPCEELHKGBCOL-UHFFFAOYSA-N	313.810	1.917	50	20	DDGD	
COc1cccc(O)c1C(=O)NNC(=S)NCC1CCC1	912110119	MCXAESGGFYHFTC-UHFFFAOYSA-N	309.391	1.310	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cnc2c(c1)CCCC2	831625927	LLBRJIAYVPEXQQ-GXFFZTMASA-N	318.377	1.538	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cncnc2C2CC2)c(O)c1	839549759	ABTKNQJTZNVVID-UHFFFAOYSA-N	312.329	1.443	50	20	DDGD	
C[C@@H]1O[C@H](C)CC1=NNC(=O)c1nnc(O)c2ccccc12	834926629	TVAZVWMKRFSPGY-BDAKNGLRSA-N	300.318	1.619	50	20	DDGD	
CCC(C)(C)OCC(=O)NNC(=O)COCc1ccccc1	837431635	SOBLNXRGIRCJTD-UHFFFAOYSA-N	308.378	1.556	50	20	DDGD	
CC1(C)CCCC[C@@H]1CC(=O)NNC(=O)CN1CCCC1=O	913731376	GBYOQESZJGASIC-GFCCVEGCSA-N	309.410	1.363	50	20	DDGD	
Cc1ccc(C)c(C2=NO[C@H](C(=O)NN(C)C[C@H](C)O)C2)c1	910184255	YOSXJNYZNQVOHY-WFASDCNBSA-N	305.378	1.140	50	20	DDGD	
O=C(CCN1CCCCCC1)NN=Cc1ccc(O)c(O)c1	916355299	HNGCECIMPYFXGN-UHFFFAOYSA-N	305.378	1.814	50	20	DDGD	
Cc1n[nH]c(C)c1C=NNC(=O)[C@@H](C)CN1CCCCCC1	915954175	ABIJCZOJZFDIGD-LBPRGKRZSA-N	305.426	1.989	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccsc1NC(=O)c1ccco1	910168320	SBSUKPBHOXUUBH-SECBINFHSA-N	323.374	1.551	50	20	DDGD	
CCCCS(=O)(=O)/C(C#N)=C\c1cc(C(=O)OCC)[nH]n1	843268053	HPASFIGUVYRADF-XFFZJAGNSA-N	311.363	1.666	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1c(C)[nH]c2ccccc12	748259850	YHXRONJACLAWJC-LBPRGKRZSA-N	303.362	1.978	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=C1CCN(Cc2ccccn2)CC1	842556842	PBOBJXPXNRDIRD-CJNGLKHVSA-N	316.405	1.575	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(F)cc1F)[C@@H](C)S(C)(=O)=O	841409888	XKEMYDFUAJIGQJ-HTQZYQBOSA-N	306.334	1.477	50	20	DDGD	
C[C@@H](Oc1cccc(C=NNC(=O)c2cnccn2)c1)C(=O)O	746682768	QFBRRHCCKNVURD-SNVBAGLBSA-N	314.301	1.092	50	20	DDGD	
O=C(C[C@@H]1CCCC[C@H]1O)NNC(=O)c1cccc(Cl)n1	912508998	YPIUUNCVVLSGIY-GXSJLCMTSA-N	311.769	1.437	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1Cl	843654484	FYICYCOKPYJTPI-HTQZYQBOSA-N	302.783	1.896	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@]1(C)CCc2ccccc21	843660672	VMKLANHZLQFDQF-PPHDSNJXSA-N	302.374	1.463	50	20	DDGD	
CSc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc[nH]2)cc1	740814527	YBYNIORAZDFYKV-JTQLQIEISA-N	319.386	1.965	50	20	DDGD	
Cc1nn(C(C)C)cc1C(=O)NNc1ncnc2[nH]cnc12	848370983	FZINGRLUMRLPAT-UHFFFAOYSA-N	300.326	1.196	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CNc2ccccc2)s1	749524185	QBHNIGLMLCEXOS-UHFFFAOYSA-N	300.343	1.493	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C	840301263	RHBPVKLNRKPIAZ-JTQLQIEISA-N	317.345	1.297	50	20	DDGD	
Cn1ccnc(NNC(=O)c2cnc3ccsc3c2)c1=O	747941612	KDJWJJKCCYYRKJ-UHFFFAOYSA-N	301.331	1.147	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N1CCO[C@H](CF)C1)c1ccccc1	841584860	QYPHTVVTECSRKU-CYBMUJFWSA-N	323.368	1.375	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H](O)[C@H](C)c2ccc(C)cc2)n1	748023977	IVBBSLRTNPNOBY-BXUZGUMPSA-N	316.361	1.401	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)[C@@H]1CC(=O)N(C2CCCC2)C1	743818358	UYMMSGYAGVKGEM-SNVBAGLBSA-N	322.796	1.969	50	20	DDGD	
Cc1cc(C(=O)NNc2ccnc(N(C)C)n2)ccc1[N+](=O)[O-]	740104961	SNPKMPMYZQQBGU-UHFFFAOYSA-N	316.321	1.516	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2cc3c(s2)CCC3)c2ncnn21	841611249	YZHOARVOPXBAMO-QMMMGPOBSA-N	301.375	1.927	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccccc1-c1nc(C)no1	742054237	ZFJNCGZAEMRFGW-UHFFFAOYSA-N	317.349	1.789	50	20	DDGD	
Cn1nc(C2CC2)nc1CC(=O)NN=c1cc[nH]c2ccccc12	844132804	MDBGMEYMDAOLIG-UHFFFAOYSA-N	322.372	1.348	50	20	DDGD	
C[C@H](Cc1ccncc1)NC(=O)NNc1ccc(Cl)nn1	749618811	DPYSOYCCHXYUSZ-SECBINFHSA-N	306.757	1.782	50	20	DDGD	
CN(NC(=O)Cc1cnn2ccccc12)C(=O)OC(C)(C)C	843907730	YLOMYADYDMJWGA-UHFFFAOYSA-N	304.350	1.775	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	841434975	LNDTYDIDAIMMNG-CYBMUJFWSA-N	323.349	1.629	50	20	DDGD	
COc1cccc2cc(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)oc12	843646096	OVRHFRCXDXYMGR-KOLCDFICSA-N	318.329	1.627	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@@H]2CSCCS2)o1	750996966	DEVRYEKPPJQRHG-VIFPVBQESA-N	312.420	1.961	50	20	DDGD	
Cc1nc(Br)sc1C(=O)NNC(=O)C(C)C	854214506	KPWUYLFIZCOLGW-UHFFFAOYSA-N	306.185	1.631	50	20	DDGD	
CCSC1(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CC1	852394561	URYZEFHQYQDEMW-ZJUUUORDSA-N	301.412	1.028	50	20	DDGD	
CC1(C)[C@H](NC(=O)NNc2ncc(Cl)cn2)[C@@H]2CCO[C@H]21	856870537	TYKYJDGCKMPZFI-IVZWLZJFSA-N	311.773	1.570	50	20	DDGD	
Cc1nnc(CNC(=O)NC[C@]2(C)C[C@@H]2Br)s1	856847953	ZBROAONVUOUTNG-XVKPBYJWSA-N	319.228	1.819	50	20	DDGD	
C[C@]1(CNC(=O)N2CCCC[C@H]2CN)C[C@@H]1Br	857105528	MUOKMZLTTJKZLF-JBLDHEPKSA-N	304.232	1.683	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1cnn(C(C)C)c1	750937544	UUPUGPBNGCPVIN-UHFFFAOYSA-N	317.349	1.327	50	20	DDGD	
O=C(NN=C1CCc2ccccc2C1)C(=O)Nc1ccccn1	758379630	GOWRGZIGCGMHPU-UHFFFAOYSA-N	308.341	1.681	50	20	DDGD	
CCCCNC(=O)NN=C1CS(=O)(=O)Cc2ccccc21	853294824	GGNHTRZWICXGTC-UHFFFAOYSA-N	309.391	1.418	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccc(OC2CCCC2)c(F)c1	756776079	WDAHLVIDZUFVJU-UHFFFAOYSA-N	311.313	1.292	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNc2ncc(F)cc2F)c(O)n1	857531865	FCRXFDSJHXOVJV-UHFFFAOYSA-N	309.276	1.158	50	20	DDGD	
CCN1CCN(C(=O)NC[C@@]2(C)C[C@H]2Br)CC1	856948689	NUPGIOYXPCTUCW-ZYHUDNBSSA-N	304.232	1.507	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCc1ccc(OC)c(Cl)c1	854926552	CKQBWPJOIDQWRD-UHFFFAOYSA-N	315.826	1.749	50	20	DDGD	
C=CC[C@@H]1CCCCC1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	853292776	XLMUTMUAOPTKSJ-VXGBXAGGSA-N	313.423	1.595	50	20	DDGD	
CCC(C#N)(CC)C(=O)NNC(=O)COc1ccc(C#N)cc1	858129046	ATKIIJUVRXDWBU-UHFFFAOYSA-N	314.345	1.414	50	20	DDGD	
Cc1nn(C)c(C)c1[C@H](C)C(=O)NNC(=O)c1cccc(F)n1	856425047	XJAGILPMILEGEC-QMMMGPOBSA-N	319.340	1.136	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCC1CC2(C1)OCCO2	921660526	ROVJYSKGIJFFDR-UHFFFAOYSA-N	311.831	1.324	50	20	DDGD	
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@]1(C)C[C@H]1Br	856752926	NLQPOJUTUKLAHB-BBBLOLIVSA-N	324.244	1.228	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NN(C)C(=O)OC(C)(C)C)C1	857868774	CAESEYFAWKJWIW-GXSJLCMTSA-N	308.382	1.974	50	20	DDGD	
CC(C)N1CCC[C@H]1C(=O)NNc1ccc2c(=O)[nH]ccc2c1	935871250	OMVBFGXZQZDAMO-HNNXBMFYSA-N	314.389	1.844	50	20	DDGD	
O=C(CCCCN1CCCC1)NNC(=O)OCC(F)(F)F	856024190	LRQRKZGBRSUXMA-UHFFFAOYSA-N	311.304	1.572	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1scnc1Br	757848102	RMHHNIBTIAUZNH-UHFFFAOYSA-N	306.185	1.713	50	20	DDGD	
C[C@@H](Sc1ccccn1)C(=O)NNC(=O)OCC(F)(F)F	856021167	ISSSIQFOUZYQGT-SSDOTTSWSA-N	323.296	1.882	50	20	DDGD	
NC(=O)N1CCC[C@H](C(=O)NNc2cc(F)cc(Cl)c2)C1	855619536	PNZLFLOBIIDCKX-QMMMGPOBSA-N	314.748	1.713	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)N[C@H]1CCCC(F)(F)C1	853874661	NSXZFJLCSVETFP-QMMMGPOBSA-N	316.283	1.743	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(F)cc2nc(C)c(C)nc12	854926046	SYCAOERQYLQHIL-UHFFFAOYSA-N	321.381	1.467	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC=C(C(F)(F)F)CC1	757119519	AEPUFJWZCISGCY-UHFFFAOYSA-N	307.316	1.374	50	20	DDGD	
CN(C)c1cccc(CNC(=O)NNC(=O)C2CCCC2)n1	755099560	URRMTHGCSOYMNF-UHFFFAOYSA-N	305.382	1.168	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@@H](C)C2)n1	862523796	NYFIRCUJYSEULE-DZKIICNBSA-N	320.437	1.967	50	20	DDGD	
COC(=O)c1[nH]c(C)c(C(=O)NN[C@H](C)C(F)(F)F)c1C	862315438	VRSJEKKKJNBLOT-SSDOTTSWSA-N	307.272	1.603	50	20	DDGD	
CC[C@@H]1CN(CC)CCN1S(=O)(=O)CC(C)(C)CCl	867358450	YGZXFQNUIMYEKN-GFCCVEGCSA-N	310.891	1.997	50	20	DDGD	
C[S@@](=O)Cc1ccccc1NC(=O)NNC(=O)C1CCCC1	762902426	VUVFTEXQNWZGKR-JOCHJYFZSA-N	323.418	1.908	50	20	DDGD	
O=C(NN=Cc1sccc1Br)C(=O)NC1CC1	764901068	RRCGCDWSCKJJGQ-UHFFFAOYSA-N	316.180	1.239	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCc2cc3c(nc2O)CCC3)cn1	862738902	BUQSVLXREVVTMU-ACAGNQJTSA-N	323.356	1.233	50	20	DDGD	
C[C@H](NNC(=O)c1ccc(N2CCNC2=O)cc1)C(F)(F)F	862306851	PWMPSDQTNSAZAK-QMMMGPOBSA-N	316.283	1.401	50	20	DDGD	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NNC(=O)c1cn[nH]c1	862472192	HSMJQVGBOOMYHT-UHTWSYAYSA-N	308.382	1.545	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H](NC2CCOCC2)C(C)C)cc[nH]1	863935407	UMQFESABSKIVPB-HNNXBMFYSA-N	306.410	1.048	50	20	DDGD	
CC(=NNC(=O)C(=O)NC(C)C)c1cc2c(s1)CCCC2	764669542	VGXCTUJNVMLYJK-UHFFFAOYSA-N	307.419	1.992	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1ccc2scnc2c1	763817804	XAYLXKGQQXGAKD-UHFFFAOYSA-N	306.347	1.038	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)C1=CCCCO1	765254659	ZDNGDVRHFVEZNI-UHFFFAOYSA-N	308.359	1.326	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C1CCCC1)n1ccc(C(F)(F)F)n1	864844913	HGTPNXYIVJFLNI-QMMMGPOBSA-N	318.299	1.801	50	20	DDGD	
CCCCc1ccc(NC(=O)C(=O)NNC(=O)COCC)cc1	764325014	AIBFJGAWBWNREL-UHFFFAOYSA-N	321.377	1.152	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H]2CCCc3nn[nH]c32)c1	862479490	QCGDPAFTNLGRGJ-MRVPVSSYSA-N	305.363	1.056	50	20	DDGD	
Cc1ccc2c(c1)[C@H](NC(=O)NNC(=O)C1CCCC1)CO2	764374434	KAGJMERERVNYSZ-CYBMUJFWSA-N	303.362	1.949	50	20	DDGD	
CCC1(C(=O)NNC(=S)Nc2ccc(OC)nc2)CCC1	874954675	ZWOHMEDKLAGCEJ-UHFFFAOYSA-N	308.407	1.988	50	20	DDGD	
COc1ccc(SC)c(OC)c1C(=O)NNC(=O)C(C)C	775642555	FEXKWAXDJOPMHJ-UHFFFAOYSA-N	312.391	1.843	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccnc1-c1cnn(C)c1	879335692	VXBOHJNQEUUPAD-UHFFFAOYSA-N	304.354	1.097	50	20	DDGD	
CC(C)Oc1ccc(NC(=O)NNC(=O)C2CCNCC2)cc1	1117953802	QGMFPTJVYRDLII-UHFFFAOYSA-N	320.393	1.626	50	20	DDGD	
C[C@H](CBr)CN1CC[C@@H](NC(=O)NC2CC2)C1	770669363	UWLVTHCUURGSRS-MWLCHTKSSA-N	304.232	1.553	50	20	DDGD	
N#CSCCCNC(=O)CCc1nc(-c2ccco2)no1	773571451	OSRLMYNALYAFOV-UHFFFAOYSA-N	306.347	1.983	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccccc1OC1CCCC1	779816052	GSVDUIKYSCOZIV-UHFFFAOYSA-N	319.361	1.814	50	20	DDGD	
O=C(NC[C@@H]1COC2(CCCCC2)O1)NNC(=O)C1CCC1	775760772	MHLRJLQTVUFRLR-GFCCVEGCSA-N	311.382	1.193	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)c(C)n1	777276906	XDJYIPMDYAJNIK-UHFFFAOYSA-N	318.764	1.751	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C2(F)CCOCC2)c(C)c1	878038997	JQWBGBLLLPPEID-UHFFFAOYSA-N	323.368	1.381	50	20	DDGD	
COc1cc(F)cc(CNC(=O)NNc2nccc(OC)n2)c1	770306262	MHTSLYDTEUMXBC-UHFFFAOYSA-N	321.312	1.459	50	20	DDGD	
O=C(NNc1c(F)cccc1Cl)C(=O)Nc1cncnc1	770811139	JMZMQTUCIUJJGX-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
COc1ncnc(OC)c1C(=O)OC[C@@H](C)CBr	770364439	FGGMACUKFBADGM-ZETCQYMHSA-N	319.155	1.682	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1	878125614	PHMLVYOUBAMZRE-UHFFFAOYSA-N	320.349	1.657	50	20	DDGD	
CCC(=NNC(=O)NCC(=O)OC)c1cccc(OC)c1OC	872363778	QDDPFWFCKMOYCV-UHFFFAOYSA-N	323.349	1.290	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)N2CC=CCC2)C[C@H]1Br	1118763761	JOEINSYHQONPFH-BXKDBHETSA-N	301.184	1.065	50	20	DDGD	
Cc1cc(=NNC(=O)NCCCOC[C@H]2CCCO2)cc[nH]1	875024777	ZXMGYUYUCQJJKE-CQSZACIVSA-N	308.382	1.024	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCCCC1)c1cnn(C)c1C	778540536	QYKJYCKKAFSFJI-GFCCVEGCSA-N	305.426	1.691	50	20	DDGD	
CC1=C(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)CCCO1	772218464	OTIOJXCYVDGWLJ-LLVKDONJSA-N	312.366	1.196	50	20	DDGD	
C[C@H](NCC(=O)NNC(=O)C(C)(C)C)c1ccc(F)cc1F	774796760	BTTJXSSYORBCKC-VIFPVBQESA-N	313.348	1.809	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1ccc(-c2nc(=O)o[nH]2)cc1	781435145	ALAYSORSAYZPOG-UHFFFAOYSA-N	315.264	1.321	50	20	DDGD	
CCS(=O)(=O)NCCOC(=O)/C(C#N)=C/c1ccccc1	785352453	YVWOZKSNJFCTMH-JLHYYAGUSA-N	308.359	1.076	50	20	DDGD	
C[C@H](COc1ccccc1)NC(=O)NNC(=O)C1CCOCC1	883162445	STNTZCZJAHUODZ-GFCCVEGCSA-N	321.377	1.211	50	20	DDGD	
CSc1nnc(CNC(=O)NNC(=O)C(C)(C)C)s1	782577046	ZULPWFYDXBCNTD-UHFFFAOYSA-N	303.413	1.137	50	20	DDGD	
CC(=O)N1CCc2c(NC(=O)NN=c3cc[nH]cc3)cccc21	782074042	ILQUAQMJBUVHGH-UHFFFAOYSA-N	311.345	1.561	50	20	DDGD	
COc1cccc(NNC(=O)Nc2ccn(CC(F)F)n2)n1	780583058	BRYWQKXOCDIQJU-UHFFFAOYSA-N	312.280	1.700	50	20	DDGD	
Cc1cc(C(=O)N2CC=C(C#N)CC2)ccc1N1CCNC1=O	780688093	XMUGAUYFLDYPPM-UHFFFAOYSA-N	310.357	1.821	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Cn1cc(-c2ccccc2F)nn1	881306840	NNQATEPUHAPRML-UHFFFAOYSA-N	319.340	1.278	50	20	DDGD	
O=S(=O)(CCCCl)N1CCN(c2cncc(F)c2)CC1	882473486	OEEVNAKROCHBGM-UHFFFAOYSA-N	321.805	1.301	50	20	DDGD	
COc1ccc(NNC(=O)CCc2cccc3c2OCO3)nc1	781526880	IDDQQHOEZDEVSF-UHFFFAOYSA-N	315.329	1.895	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](O)C2CCCCC2)c([N+](=O)[O-])c1	783677460	AELJREKOSUYRIN-AWEZNQCLSA-N	323.349	1.988	50	20	DDGD	
CC(C)(C#N)CNC(=O)NNC(=O)c1cc2ccccc2o1	781954201	RLQVXMSHAKEKKU-UHFFFAOYSA-N	300.318	1.927	50	20	DDGD	
COc1cc(NNC(=O)NOC[C@@H]2CCOC2)ccc1Cl	789225669	FDZPCEOAKZEUFM-SECBINFHSA-N	315.757	1.943	50	20	DDGD	
C[C@@H]1COCCC1=NNC(=O)c1nn(-c2ccccc2)cc1O	794483500	AHJIOWFKYSDUIS-LLVKDONJSA-N	314.345	1.720	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2O[C@H](C)C[C@H]2C)cc1	799914853	CDKURKKDHPJKGM-XHBSWPGZSA-N	320.389	1.589	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)C(=O)Nc1cccc(Cl)n1	793026907	VCRBFPCMHVNVRR-UHFFFAOYSA-N	310.741	1.011	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1[nH]ccc1C	798106934	WVMNTUCRDDWISZ-UHFFFAOYSA-N	302.334	1.205	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cccc(C)n1)c1ccccc1	794077367	NTGMEPQHNPPNPV-UHFFFAOYSA-N	312.373	1.678	50	20	DDGD	
COCCCNC(=O)NN=C1CCC[C@H](c2ccnn2C)C1	790287966	WPUKTLPCXPKBGI-LBPRGKRZSA-N	307.398	1.769	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1ccc([S@](C)=O)cc1	797840112	IFFHPERUGMXLQK-NRFANRHFSA-N	311.407	1.097	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)S(=O)(=O)N(C)C)cc1OC	794956146	AMFXCDJHAJRCSM-WQLSENKSSA-N	310.375	1.850	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)CC3OCCO3)cc2C1	792825779	BAJAEVQWKUXMKF-VIFPVBQESA-N	324.402	1.397	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)CC(F)(F)F)c1cccnc1	798107977	DMIVWQIMMNECAG-LLVKDONJSA-N	303.284	1.921	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41	793891614	PGCPRPMQZKSYQM-DQASFRKVSA-N	316.792	1.967	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1cccc(S(N)(=O)=O)c1	790596800	MBQASYBVVWNHPN-UHFFFAOYSA-N	321.362	1.186	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2ccccc2O)cn1C	790142916	NJVGMYGNTURGOD-UHFFFAOYSA-N	301.302	1.281	50	20	DDGD	
COc1cc(NNC(=O)[C@H]2CC(=O)N(C3CC3)C2)ccc1Cl	790166388	YEFSVPOUYUVGMS-VIFPVBQESA-N	323.780	1.803	50	20	DDGD	
COCCCNC(=O)NN=Cc1c(C)c(O)c(C)c(C)c1O	799877254	SJUBKFSBZXRGAL-UHFFFAOYSA-N	309.366	1.693	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)c1cc(C#N)oc1C	797799285	FXLFPNVUVFAVFZ-UHFFFAOYSA-N	323.312	1.491	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccc(OC)c(OCC(C)C)c1	1318965237	APNQQQJAANKGOO-UHFFFAOYSA-N	308.334	1.353	50	20	DDGD	
CN(C)c1ccc(CCNC(=O)NNC(=O)C2CCC2)cc1	1318502896	IYEQWHAPLYBZCT-UHFFFAOYSA-N	304.394	1.426	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CC[C@@H]2OCCC[C@H]2C1	1319330544	DHOOJTGNQDFYOB-ZFWWWQNUSA-N	317.389	1.850	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@](C)(O)[C@@H](C)c1ccccc1	1319319284	AEPGBAKRHJCRHU-XHDPSFHLSA-N	309.435	1.445	50	20	DDGD	
O=C(CNS(=O)(=O)c1ccccc1)NNc1ccccc1F	1323919279	OYYPQMVXVBKFPJ-UHFFFAOYSA-N	323.349	1.247	50	20	DDGD	
C/C(=C/C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)c1ccco1	1327129264	XMTACPQPWQVPGB-MMRAYRKESA-N	322.361	1.808	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1c(Cl)cncc1Cl	1324160898	BQIXBVHEDZEEOX-UHFFFAOYSA-N	307.206	1.906	50	20	DDGD	
COC(=O)CN(CC(C)C)S(=O)(=O)CC(C)(C)CCl	1329378561	NIIILLYMLRANJL-UHFFFAOYSA-N	313.847	1.712	50	20	DDGD	
O=C(NNC(=O)[C@@]1(F)CCOC1)c1ccc(Cl)cc1F	1324086295	CUPPTUGLPOYHFP-GFCCVEGCSA-N	304.680	1.369	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1cnc(C2CC2)[nH]1	1320471185	CZTLZCAJLBGPAE-UHFFFAOYSA-N	320.374	1.448	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=S)NCC2CCC2)c1	1251530862	NTJAODADPUPOKZ-UHFFFAOYSA-N	322.434	1.403	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)[C@@H]1CCCCO1)c1ccc(F)c(F)c1	1324453951	MTVCBKINTMZUGS-RNCFNFMXSA-N	312.316	1.785	50	20	DDGD	
Nc1cnnc(NNC(=O)/C=C\c2ccc(O)c(O)c2)c1Cl	1337414581	QKGIOGMRADPIGD-RQOWECAXSA-N	321.724	1.280	50	20	DDGD	
CC(C)CN1CCC[C@@H]1C(=O)NNC(=O)c1ccc(C#N)cc1	1335759357	LLPMVVAFLXHRHH-OAHLLOKOSA-N	314.389	1.440	50	20	DDGD	
C[C@H](C1CC1)N(C)C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1331095448	BQEQNZHABVNTFN-DVYJOKAKSA-N	317.227	1.533	50	20	DDGD	
CCc1noc(CC)c1CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	1261453082	URWNUPYLQHIDNT-ZJUUUORDSA-N	324.381	1.055	50	20	DDGD	
CCn1nc(C)c(C(=O)OC[C@@]2(C)C[C@@H]2Br)n1	1344046457	APRRSXUUHZVKTJ-GZMMTYOYSA-N	302.172	1.937	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCN2C(C)(C)C)cc1	1350295589	XYAFEVZYXXCMOC-CYBMUJFWSA-N	305.378	1.329	50	20	DDGD	
COC(=O)c1cc(NC(=O)[C@@]2(C)C[C@@H]2Br)n(C)n1	1529109165	ZQQTXIQODSUPQR-CPCISQLKSA-N	316.155	1.319	50	20	DDGD	
O=C(O)Cn1cccc1C=NNC(=O)NCc1ccccc1	1602166548	XFKMUXIIMCDBMS-UHFFFAOYSA-N	300.318	1.406	50	20	DDGD	
CC[C@@H](C)CCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	1604005485	QPXQILNRJVIKTL-SNVBAGLBSA-N	316.365	1.454	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1cc(C(=O)O)ccc1F	1601553564	MHQDHPKZYVPVEM-UHFFFAOYSA-N	309.297	1.867	50	20	DDGD	
Cc1nc(N)nc(C)c1C(=O)NNc1ccccc1C(=O)O	1600708557	CPLQIPFGZOFULQ-UHFFFAOYSA-N	301.306	1.131	50	20	DDGD	
O=C(O)Cn1cccc1C=NNC(=O)Cc1ccccc1F	1606353517	AFUJRYYEVZUEGF-UHFFFAOYSA-N	303.293	1.405	50	20	DDGD	
Cc1cc(C(=O)NN=c2cc[nH]cc2)cc(C)c1OCC(=O)O	1607580042	PNRVVNGWYKDBLB-UHFFFAOYSA-N	315.329	1.341	50	20	DDGD	
Cc1cc(CNC(=O)NNc2cccc(C(=O)O)c2C)on1	1600199906	AWXXMUQHYXNHGF-UHFFFAOYSA-N	304.306	1.816	50	20	DDGD	
C[C@@H](CO)CCCNC(=O)NNc1ccc(C(=O)O)cc1F	1609746628	LRJXWBJNSNVWJX-SECBINFHSA-N	313.329	1.559	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CC[C@H]2C(=O)O)cc1F	1604391626	VZDLDKJFHMXNJE-DTWKUNHWSA-N	310.281	1.166	50	20	DDGD	
C#CCOc1cccc(Cl)c1C=NNC(=O)NCC(=O)O	1602734398	SCTKCQMJUQWONG-UHFFFAOYSA-N	309.709	1.070	50	20	DDGD	
O=C(NNc1cccc2c1OC(F)(F)O2)[C@H]1C[C@H]1C(=O)O	1601560843	BLDQMTZYXQELAJ-NTSWFWBYSA-N	300.217	1.172	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)cn1)C(=O)c1ccc(Cl)cc1	1608481392	NTSFUTUPISXHIS-UHFFFAOYSA-N	319.704	1.759	50	20	DDGD	
CCC1=C(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCCO1	1604093668	MQIPSHVCQLWCHD-UHFFFAOYSA-N	314.349	1.784	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)ccc1C(=O)O	1610473679	NQYATKXDMXTPHF-BXKDBHETSA-N	321.333	1.271	50	20	DDGD	
Cc1cc(C(=O)O)ccc1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	1610441695	LARDXSZBLQUPTM-KOLCDFICSA-N	321.333	1.271	50	20	DDGD	
O=C(NN=Cc1cnc(C2CC2)s1)[C@H]1CN2CCC[C@H]2CO1	1549318660	QJIOAYGYDCLGEF-WCQYABFASA-N	320.418	1.334	50	20	DDGD	
CCN(CCO)NC(=O)c1cc2c(nc3ccccn32)s1	1548722940	APSXSBJJFHXMOA-UHFFFAOYSA-N	304.375	1.508	50	20	DDGD	
CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1	1817015118	NAXWHQNONPJJFA-MNOVXSKESA-N	314.773	1.021	50	20	DDGD	
CC(C)CNCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	1575606382	UEVUFOPUKNPNHL-UHFFFAOYSA-N	307.438	1.596	50	20	DDGD	
CC#CC[C@@H](N)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	1574973177	UFLWWUCTHQZSRN-LLVKDONJSA-N	314.172	1.495	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CC[C@@H](N)CC2)cc1	1579726882	AKQRHGPCMONPSF-BETUJISGSA-N	305.378	1.039	50	20	DDGD	
O=C(N[C@@H]1CNOC1)[C@]1(c2ccccc2)C[C@H]1Br	1580749193	LVSBAAUWYXHFSF-WZRBSPASSA-N	311.179	1.111	50	20	DDGD	
C#CCCCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	1588340739	CSAYJPAQRCDYBX-UHFFFAOYSA-N	305.729	1.162	50	20	DDGD	
CC(=O)c1cc(C(=O)NNc2ccccc2C(=O)O)n(C)c1	1589258152	QXNUTYJZBHRQEO-UHFFFAOYSA-N	301.302	1.683	50	20	DDGD	
CC1(C(=O)N2CC3(CCCN3C(=O)[C@H](F)Cl)C2)CCC1	1843362066	ZXIXXAATIJFGMI-JTQLQIEISA-N	302.777	1.914	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C(F)=C1CCC1	1593160434	DFCUQDZVLWOQFA-UHFFFAOYSA-N	323.719	1.766	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCO2)NNc1ncccc1C(=O)O	1594707925	VHPVZBNRUFLVJB-UHFFFAOYSA-N	313.313	1.401	50	20	DDGD	
C[C@](CCF)(NCCCI)C(=O)O	1592505784	FPYZIMMMIWIDFL-MRVPVSSYSA-N	303.115	1.604	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccc(CCC(=O)O)o2)n1	1776026325	QINXBHJNBKFHOR-UHFFFAOYSA-N	318.333	1.260	50	20	DDGD	
Cc1nsc(C=NNC(=O)Cc2ccccc2O)c1C(=O)O	1776094342	NRITVJVUDYYETB-UHFFFAOYSA-N	319.342	1.548	50	20	DDGD	
O=C(NNC(=O)c1cc(F)c([N+](=O)[O-])cc1F)c1ccccc1	153540697	BQLPKFUGZLYNRK-UHFFFAOYSA-N	321.239	1.948	50	20	DDGD	
CC(C)c1noc(CCC(=O)NNc2ncccc2[N+](=O)[O-])n1	153620973	WTVMMFZJDKSBCB-UHFFFAOYSA-N	320.309	1.572	50	20	DDGD	
CC[C@@H](CC(=O)NNC(=O)C(=O)NC1CC1)c1ccc(C)cc1	155091198	OYYCRRHMBQZZCU-LBPRGKRZSA-N	317.389	1.305	50	20	DDGD	
CCCOc1cccc(C(=O)NNc2ncnc3nc[nH]c23)c1	156217909	OVFWVDOCPIJGJL-UHFFFAOYSA-N	312.333	1.899	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)CSCC(F)(F)F	159804664	FZCGFOAMASXBLS-UHFFFAOYSA-N	321.324	1.541	50	20	DDGD	
CCN(CCS(C)(=O)=O)C(=O)c1cccc(CCl)c1	708423505	FPCPGDOASSWPSC-UHFFFAOYSA-N	303.811	1.932	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Nc1ccncc1	56498967	VRWCMRPOGUHACP-JTQLQIEISA-N	318.308	1.841	50	20	DDGD	
Cc1nnc(NNC(=O)COc2ccccc2Cl)nc1O	23310321	JOJNPTAAANGWDZ-UHFFFAOYSA-N	309.713	1.061	50	20	DDGD	
CN(C)CCSCC(=O)NNC(=O)c1cccc(Cl)c1	106900909	WEFQWQGNVBATJY-UHFFFAOYSA-N	315.826	1.396	50	20	DDGD	
C[C@H]1CCC[C@H](OCC(=O)NNC(=O)CNc2ccccc2)C1	112724338	FLWPPAVIBYIIII-ZFWWWQNUSA-N	319.405	1.841	50	20	DDGD	
Cc1ccc(C(=O)NNc2cccc(F)c2)cc1S(N)(=O)=O	178931433	ZUAZFJWQEBDVEM-UHFFFAOYSA-N	323.349	1.538	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNc2cccc3cnccc23)C1	178522602	JWWHIMZTSDPABT-CYBMUJFWSA-N	312.373	1.936	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CCCOC1	171024989	VVUXPLYQEJAFPU-MNOVXSKESA-N	310.325	1.167	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](O)c2ccccc2Cl)n1	120256620	ZEWXXMKPJNVJNY-GFCCVEGCSA-N	322.752	1.624	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(-c3ccccc3)nn2)n(C)n1	127994054	MWWDJRHJDCSQFO-UHFFFAOYSA-N	308.345	1.942	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cnn(C)c2)ccc1N(C)C	183684854	NFHOIKARPATGJF-UHFFFAOYSA-N	316.365	1.261	50	20	DDGD	
C[C@H](SCC(=O)NNC(=O)c1ccc(F)cc1)[C@@H](C)O	79051509	WCTXSGCLTTZWLV-BDAKNGLRSA-N	300.355	1.089	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2c(C)noc2C2CC2)n1	126159884	CURSRULGLPXSMY-UHFFFAOYSA-N	304.310	1.808	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cn1	121590993	PXYHOMHNOSPFBW-UHFFFAOYSA-N	323.696	1.057	50	20	DDGD	
CCC(C)(C)C(=O)NNc1c(OC)cccc1S(C)(=O)=O	186064365	HUBWGMMQBZVPLG-UHFFFAOYSA-N	314.407	1.978	50	20	DDGD	
CC(=O)N(C)CC(=O)NNC(=O)Cc1cccc2ccccc12	75896261	OYIWNQXYZLCXBF-UHFFFAOYSA-N	313.357	1.008	50	20	DDGD	
O=C(NNc1ccncc1)[C@H]1CC(=O)N(Cc2ccccc2)C1	180470417	HHBZKCLXWCQRRC-AWEZNQCLSA-N	310.357	1.573	50	20	DDGD	
CC(C)Oc1ccc(CNC(=O)NNc2ncccn2)cn1	46824442	UBMTXZFPPLUPAQ-UHFFFAOYSA-N	302.338	1.485	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2c(C)ccn2C)c1	188896568	VJVMWFXCZNMDIM-UHFFFAOYSA-N	315.373	1.790	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)c2ccc(C)o2)cc1	70695369	XTTFMBZEHYWMTE-UHFFFAOYSA-N	304.302	1.437	50	20	DDGD	
O=C(NNc1ncc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1	133145274	STNPLYVPUVMULU-LURJTMIESA-N	324.189	1.266	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNc1ncnc2ccsc12	132367800	ZSWVFZXLJNPLOL-UHFFFAOYSA-N	321.406	1.783	50	20	DDGD	
CNC(=O)NNC(=O)CCSc1nc2ccccc2s1	48949482	FAIZOVZHNQNKMA-UHFFFAOYSA-N	310.404	1.739	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Cc1csc(-c2ccccn2)n1	80085473	JDTHBXSERUHFRS-UHFFFAOYSA-N	318.402	1.941	50	20	DDGD	
CN(C)C(=O)NNC(=O)CCCc1nc(-c2cccs2)no1	194918106	FECJSOPHSLUFLG-UHFFFAOYSA-N	323.378	1.423	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)OCc2ccccc2)o1	84291143	XXFFSPAPAKAESS-LBPRGKRZSA-N	302.330	1.954	50	20	DDGD	
O=C1O[C@@H](C(=O)NNc2cccnc2Cl)Cc2ccccc21	85683548	RPKHEXODOYJHBU-GFCCVEGCSA-N	317.732	1.960	50	20	DDGD	
CO[C@H](C)CC(=O)NNC(=O)c1ccc(Br)s1	195428302	BYVFPBWBTQNXRL-ZCFIWIBFSA-N	321.196	1.697	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cnc(C)s1	195260674	WWZGHYFTXYWMMD-UHFFFAOYSA-N	305.359	1.464	50	20	DDGD	
CC(C)N1CCC(NC(=O)NNc2cncc(Cl)n2)CC1	193135183	LPRHWYAFTDXJNN-UHFFFAOYSA-N	312.805	1.629	50	20	DDGD	
COc1ccc(NC(=O)NNc2ccc(Cl)nn2)c(C)n1	92929165	IEEWTEOKJRQEFG-UHFFFAOYSA-N	308.729	1.991	50	20	DDGD	
C=CC(=O)NCc1ccc(C(=O)NNC(=O)C(C)(C)C)cc1	98098757	XYASTSXCZSKXIZ-UHFFFAOYSA-N	303.362	1.296	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNC(=O)N2CCOCC2)cc1	268833905	XMAOOZXQASFWKE-UHFFFAOYSA-N	321.377	1.046	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2cnc[nH]2)c1	263685228	OIWJYFNABAHCRP-UHFFFAOYSA-N	316.361	1.682	50	20	DDGD	
O=C(NN=c1nc(-c2ccccc2)[nH]o1)[C@H]1CC12CCOCC2	365788533	UAPFKHIWDOLFPB-GFCCVEGCSA-N	314.345	1.418	50	20	DDGD	
CCNC(=O)C(C)(C)CNC(=O)NNC(=O)c1ccccc1C	269524976	UHJBDSLZWOZSRR-UHFFFAOYSA-N	320.393	1.101	50	20	DDGD	
COC1CCN(C(=O)NNC(=O)COCc2ccccc2)CC1	265784485	JWHJLDRHXDVGDH-UHFFFAOYSA-N	321.377	1.055	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)[C@@H](C)C2(C)C)n1	279868379	VWMIYFOBLFEOSW-NEPJUHHUSA-N	317.389	1.792	50	20	DDGD	
NC(=O)CCC1CCN(C(=O)NNC(=O)c2ccccc2)CC1	271004749	YWDXYNOEYWRTDS-UHFFFAOYSA-N	318.377	1.019	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)Cc2ccc(F)cc2)CCO1	271297264	TVWKCHGOKQHGSG-ZWNOBZJWSA-N	309.341	1.266	50	20	DDGD	
COC(=O)C1(CNC(=O)NNc2cccnn2)CCCCC1	273041933	DZMXRBKCGMQZAR-UHFFFAOYSA-N	307.354	1.226	50	20	DDGD	
COc1ccc2c(c1)[C@H](C(=O)NNc1ncnc3nc[nH]c13)CC2	278170745	PBJGRFIETSSRAO-LLVKDONJSA-N	324.344	1.535	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1c(-c2ccccc2)noc1C	271457781	WJSPKECQBMXIHS-UHFFFAOYSA-N	302.334	1.956	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1cscc1C	273480610	UMBBMSSJPFFZPH-VIFPVBQESA-N	301.368	1.261	50	20	DDGD	
CC[C@@](O)(C(=O)NNC(=O)NC1CC1)c1cccc(Cl)c1	281950414	FLZMTVOLLWXNHU-AWEZNQCLSA-N	311.769	1.430	50	20	DDGD	
C[C@@H]1CCC[C@H]1NC(=O)NNc1ccc(-n2ccnc2)nn1	287331725	KVUYIQFTGSJYNR-GHMZBOCLSA-N	301.354	1.477	50	20	DDGD	
CC[C@H]1C[C@H](C(=O)NNc2ccc(-n3ccnc3)nn2)CCO1	286781236	XDACMCVCDUUHGY-NEPJUHHUSA-N	316.365	1.311	50	20	DDGD	
Cn1cnc2c(C(=O)NNc3nccnc3C3CCC3)ccnc21	287961383	AKOCHVFSCSTBNV-UHFFFAOYSA-N	323.360	1.783	50	20	DDGD	
O=C(NCC(Cl)Cl)c1cn(Cc2cccc(F)c2)nn1	288809151	GMXNINUVXPVRMN-UHFFFAOYSA-N	317.151	1.999	50	20	DDGD	
CCOc1cccc2[nH]cc(CC(=O)NN(C)C(=O)OC)c12	286524086	XTDCOLHEJXFJAE-UHFFFAOYSA-N	305.334	1.839	50	20	DDGD	
COCCN(C)NC(=O)CCc1cnn(-c2ccccc2)c1	288487996	SMZYVPRZEULUII-UHFFFAOYSA-N	302.378	1.414	50	20	DDGD	
NC(=O)[C@@H]1CC[C@@H](C(=O)NNc2cc(Cl)ccc2Cl)O1	281101906	GSPONPZUKDMYGF-UWVGGRQHSA-N	318.160	1.469	50	20	DDGD	
CC(C)(C(=O)NNc1cc(F)c(F)c(F)c1)N1CCOCC1	283269299	RLCKYAPAZAKOIT-UHFFFAOYSA-N	317.311	1.658	50	20	DDGD	
CC(C)(C)S(=O)(=O)CC(=O)NNC(=O)Nc1ccccc1	282719718	HLOLVDORSAAJQS-UHFFFAOYSA-N	313.379	1.053	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)CSc2ccccc2O)O1	282646425	ZTEUWHKDQYVGIW-GPCCPHFNSA-N	324.402	1.445	50	20	DDGD	
COC(OC)c1ccc(C(=O)NNC(=O)c2ccccc2F)o1	806295135	UYJJGOBQQJIXST-UHFFFAOYSA-N	322.292	1.785	50	20	DDGD	
CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)NNc3ccccn3)[C@H]2C1	808359482	YWCJAAOTQXHDQQ-IHRRRGAJSA-N	317.393	1.355	50	20	DDGD	
CCC[C@H](C)C(=O)NCCNC(=O)NNc1cccc(F)n1	292920461	XTABNIAINNYNIK-JTQLQIEISA-N	311.361	1.399	50	20	DDGD	
O=C(NN=C1CCC[C@H]1CCCF)[C@@H]1CCS(=O)(=O)C1	800809780	WXGQDZDFTHTGRJ-WDEREUQCSA-N	304.387	1.443	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)CC[C@H]2CCCO2)cc1	802117610	WESFROZPHJACNX-CQSZACIVSA-N	320.393	1.865	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CC2CC2)cc2c1OCCO2	294185498	OMRDNDJLKKFPNF-UHFFFAOYSA-N	306.318	1.028	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@@H]1C[C@H](c2ccccc2)OC1=O	809738761	IOTURRYVBDREKY-NWDGAFQWSA-N	316.292	1.363	50	20	DDGD	
Cn1nnc2c1C[C@H](C(=O)NNc1ccccc1Cl)CC2	291295436	NDZCYOZGPZBRPD-SECBINFHSA-N	305.769	1.717	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](C)OCCc1ccccc1	295021728	UPAZCPCEYOGLRW-GFCCVEGCSA-N	316.361	1.576	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1coc(C2CCC2)n1	802031395	HWUKTOHBXPMWNJ-UHFFFAOYSA-N	301.306	1.226	50	20	DDGD	
CCSCC(=NNC(=O)C(=O)N1CCCC1)c1ccccc1	807967631	FDWQRGCYGLIGEQ-UHFFFAOYSA-N	319.430	1.882	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)CCCC(N)=O)cc1C	291281328	RFHMORFFHNVRNR-UHFFFAOYSA-N	307.350	1.270	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1	801958820	CGPYCTUCYHZJCU-VIFPVBQESA-N	322.258	1.634	50	20	DDGD	
COCC1(CCNC(=O)NNC(=O)c2ccccc2)CCC1	297481982	OURNVYSPHLMGOY-UHFFFAOYSA-N	305.378	1.837	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1cccc(Cl)n1	293748892	SFEQLKBKTWUBJX-UHFFFAOYSA-N	300.746	1.704	50	20	DDGD	
CN(NC(=O)CCC(=O)c1ccc2c(c1)CCC(=O)N2)C1CC1	819649578	HMVFVKJYALIACE-UHFFFAOYSA-N	315.373	1.660	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2cccc(Cl)c2)on1	814732412	LBXVOAFNPJCEFK-UHFFFAOYSA-N	307.693	1.879	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NN=C[C@H]1CCCOC1	814744261	UZQCIKLJASRLKB-LLVKDONJSA-N	307.306	1.502	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2cc(C)n(C)n2)cc1C	812722898	XODIYALKTIKCAF-UHFFFAOYSA-N	316.361	1.971	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1COc2cccc(Cl)c21	814854442	JQJMFCROLRAKRK-UHFFFAOYSA-N	323.780	1.858	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1C(=O)NNc1nccc(N2CCOCC2)n1	819905048	WRTVSVMWDSCYGB-OLZOCXBDSA-N	319.409	1.583	50	20	DDGD	
COc1coc(C(=O)NNc2nc3ccccc3n2C)cc1=O	816576579	AGLOHXZAZGDQAZ-UHFFFAOYSA-N	314.301	1.292	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccn(C(C)C)c1C	815316063	FFDMBSFWLLUXTK-NSHDSACASA-N	309.366	1.480	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1F)[C@H]1CCc2nncn2C1	815852858	LHZYSMYYOXQEQZ-ZETCQYMHSA-N	311.267	1.401	50	20	DDGD	
O=C(NN=Cc1ccccc1-n1cncn1)c1ccc(O)cc1	814691895	SOGGDUDLBIENBL-UHFFFAOYSA-N	307.313	1.737	50	20	DDGD	
CCOc1ccc(NNC(=O)c2cccn3c(O)nnc23)cc1	817920804	BCHCGQUTUTVKPU-UHFFFAOYSA-N	313.317	1.591	50	20	DDGD	
O=C(NNc1ncncc1F)Nc1ccc(-n2nccn2)cc1	814595119	IYLWOWIMKRBVEY-UHFFFAOYSA-N	314.284	1.345	50	20	DDGD	
Cn1cccc1C(=O)NN=C1CCC(CS(C)(=O)=O)CC1	814779106	FYKIZHNMEARCAA-UHFFFAOYSA-N	311.407	1.346	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C2(C)CCOCC2)cc1	726754315	RCZTXVQOKQZSGH-UHFFFAOYSA-N	320.389	1.592	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)c1	827148947	QVQRZDMNSHRACS-UHIISALHSA-N	316.361	1.237	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(CCC(=O)OC)cc1	494571657	HHCDNAYMISNLGF-UHFFFAOYSA-N	309.322	1.575	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@H](C)[C@@H]3CCC(=O)N3)nc12	828358250	IXZMRFCGAPPLLZ-ZJUUUORDSA-N	318.402	1.963	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1ncoc1C1CC1	823975158	WWMLAPQCEUPXPH-UHFFFAOYSA-N	300.318	1.425	50	20	DDGD	
CN(C/C=C/C(=O)NNc1ccnc(F)c1)CC(F)(F)F	492921594	JKAOHJPZMIYZPJ-NSCUHMNNSA-N	306.263	1.714	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C	495691874	DPCMEPBVWGAVHZ-QMMMGPOBSA-N	319.383	1.026	50	20	DDGD	
CCn1c(S)nnc1CNC(=O)[C@@]1(C)C[C@H]1Br	822304608	IHJUPGRXYDLJCB-LDWIPMOCSA-N	319.228	1.376	50	20	DDGD	
CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)NN(C)C(=O)OC	495627621	XGIVSZDJEWUWHP-AWEZNQCLSA-N	317.386	1.799	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccnc(F)c2)cc1	728204544	VENHDGTZNLXAQR-UHFFFAOYSA-N	302.309	1.402	50	20	DDGD	
CN(C)CCN(C(=O)/C(C#N)=C\c1cnn(C)c1)C1CCCC1	491086341	TUPDHFDBAGGUIN-GDNBJRDFSA-N	315.421	1.660	50	20	DDGD	
Cn1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)n1	727366965	VNDZCKLCMBAJDU-UHFFFAOYSA-N	313.144	1.802	50	20	DDGD	
COc1ccc(OC(C)(C)C(=O)NNc2ncccn2)cc1	820935175	OBFOTXODOBKHLE-UHFFFAOYSA-N	302.334	1.786	50	20	DDGD	
O=C(CCCC(=O)C1CC1)NNC(=O)Cc1ccc(F)cc1	822212381	OLZOTOJDBAMEMJ-UHFFFAOYSA-N	306.337	1.665	50	20	DDGD	
CN1C[C@H](COC(=O)[C@@H](Br)C(C)(C)C)OC1=O	495663468	CUKCBTQGCIYOEO-HTQZYQBOSA-N	308.172	1.790	50	20	DDGD	
C[C@@H]1CCC[C@H]1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	824925178	BEZRXFQONKSMDJ-BXKDBHETSA-N	314.349	1.064	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CC[C@H](C#N)C2)c1	824778989	UYVZSMVXFOWBAF-CMPLNLGQSA-N	302.334	1.792	50	20	DDGD	
COC[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccccc1C	495709998	UJPZHDJJVSCJAS-ZDUSSCGKSA-N	323.393	1.978	50	20	DDGD	
CN1CCC[C@@]2(CCN(C(=O)/C(C#N)=C\c3cnn(C)c3)C2)C1	491006629	DVYROEMAHGCJOZ-XYMPBJBSSA-N	313.405	1.271	50	20	DDGD	
C[C@@H]1C[C@@H]1[C@@H](NC(=O)c1ccc(B(O)O)cc1)c1ccccc1	584951261	MNRUPIYXEVEORM-DQYPLSBCSA-N	309.174	1.494	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H](C)C1CCN(C(=O)OCC)CC1	495539647	HMLKKTFEBBZJND-SEVUAYLXSA-N	323.393	1.804	50	20	DDGD	
O=C(/C=C/[C@H]1CCOC1)NNC(=O)Cn1ccc2ccccc21	493062284	PAELAAVZYDKDKN-GFUIURDCSA-N	313.357	1.381	50	20	DDGD	
Cc1nn(CC(=O)NN(C)[C@@H](C)CO)cc1-c1ccccc1	823928431	MXSPDGNGPOGYRP-LBPRGKRZSA-N	302.378	1.202	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)NCCSSC)C2	496221642	ATUWVXDGUYSNCD-DCAQKATOSA-N	316.448	1.757	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)CNC(=O)OC(C)(C)C	496552499	UNYITWKMLHSTSO-SNVBAGLBSA-N	301.387	1.341	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21	825551746	OAQIFMQRFFZKEV-NTZNESFSSA-N	321.352	1.724	50	20	DDGD	
O=C(/C=C\[C@@H]1CCOC1)NNc1ncc(Br)cn1	493633280	XBJIBZYADGRNET-SLYZXXNYSA-N	313.155	1.275	50	20	DDGD	
Cn1ncc(C2CC2)c1C(=O)NNC(=O)CCc1ccccc1	825090122	OEJJLXSRFSUMPC-UHFFFAOYSA-N	312.373	1.691	50	20	DDGD	
OB(O)[C@@H]1CCN(Cc2nc3ccccn3c2Br)C1	585077875	XIXGFLHYWDPWTL-SECBINFHSA-N	323.987	1.146	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@@H]2CCCC[C@H]2O)c1F	837060884	IEFAWCPEPJFZGB-GXFFZTMASA-N	324.352	1.997	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CSC(c2ccccc2)=N1)NC1CC1	900383285	QKPWDFYDTKDEAE-NSHDSACASA-N	304.375	1.041	50	20	DDGD	
C=C(CI)n1cc(CC(C)(C)CO)nn1	900641550	XMBDEZIKPLZMRB-UHFFFAOYSA-N	321.162	1.745	50	20	DDGD	
CCCCC[C@@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)OC	491163355	WHRHGOHWCGBINN-MAUPQMMJSA-N	318.377	1.565	50	20	DDGD	
O=Cc1ccc(OCC(=O)NCC(Cl)Cl)c([N+](=O)[O-])c1	837649122	NMVONGZABCAUPB-UHFFFAOYSA-N	321.116	1.706	50	20	DDGD	
O=C1CCCc2cc(C(=O)NNC(=O)C3CCC3)ccc2N1	732143155	UIVSAZVUBLOQIS-UHFFFAOYSA-N	301.346	1.523	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)NCc1ccccc1	730818291	IEHIFMVFTHMZOZ-UHFFFAOYSA-N	315.329	1.302	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H]2CCSC2)cc1F	838497910	WGRHPLKIQMLZMJ-SECBINFHSA-N	313.354	1.744	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](O)CCSC)cc1F	837057339	DBFRKRHIBWMLIP-LLVKDONJSA-N	316.354	1.169	50	20	DDGD	
O=S(=O)(CCl)N(CCO)[C@H]1CCCc2ccccc21	830638495	HBIHNNUHNTUXDP-ZDUSSCGKSA-N	303.811	1.884	50	20	DDGD	
O=C(NC1(c2ccccc2)CCCC1)c1cccc(B(O)O)c1	584947405	PCFWQDRSHCRNLA-UHFFFAOYSA-N	309.174	1.566	50	20	DDGD	
CC(=NNC(=O)Cc1nc(C)cs1)c1c(C)nc(O)nc1O	839408836	LNVBGJOUWCVMMB-UHFFFAOYSA-N	321.362	1.044	50	20	DDGD	
CC[C@@H](C)C(=O)NN=C(C)c1cn(CC(=O)OC(C)(C)C)nn1	834941931	GOTWKLZEUWSLFA-SNVBAGLBSA-N	323.397	1.506	50	20	DDGD	
COC(=O)[C@H](CNS(=O)(=O)CCl)Cc1cccc(C)c1	830414632	LCHGGGYOZJBLQF-LBPRGKRZSA-N	319.810	1.442	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H]2CC23CCNCC3)cc1	831193482	LWBSDFCWCASKTP-CQSZACIVSA-N	304.394	1.854	50	20	DDGD	
C[C@H](NCc1ccccc1B(O)O)c1nc2c(s1)CCC2	585045752	HDGSJSIBJYRGFB-JTQLQIEISA-N	302.208	1.162	50	20	DDGD	
OB(O)c1ccc(CNC2CCN(CC3CCCC3)CC2)cc1	585033915	IFIYVFZWCCWBHF-UHFFFAOYSA-N	316.254	1.111	50	20	DDGD	
C[C@@H](C1CC1)n1cc(NC(=O)NNC(=O)[C@H]2CCCCO2)cn1	836546854	CXHKLIVRMLKHTN-GXFFZTMASA-N	321.381	1.576	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1CCSC2(CCC2)CC1	585002112	MUJODMZYBXQDRP-UHFFFAOYSA-N	323.198	1.007	50	20	DDGD	
C[C@H](C1CC1)n1cc(NC(=O)NNC(=O)[C@@H]2CCCCO2)cn1	836546855	CXHKLIVRMLKHTN-MFKMUULPSA-N	321.381	1.576	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)c1cc2c(s1)CCC2)C1CC1	836488381	KWYRZBLXQLQIQY-LLVKDONJSA-N	323.418	1.606	50	20	DDGD	
CN(CC(=O)NNC(=O)CCOc1ccccc1)C1CCC1	900435389	MQLNGWCRKLFEGS-UHFFFAOYSA-N	305.378	1.087	50	20	DDGD	
CC[C@@H]1CC[C@H](C)N1CC(=O)NNC(=O)c1ccc(C#N)cc1	839536291	NSPRPDPKXICOGB-SWLSCSKDSA-N	314.389	1.582	50	20	DDGD	
Cc1ccccc1NCCC(=O)NNC(=O)c1c[nH]nc1C	732086842	KIPUKZATWMQHKI-UHFFFAOYSA-N	301.350	1.290	50	20	DDGD	
Cc1cc(NNC(=O)c2c[nH]nc2-c2ccncc2)nc(C)n1	736710049	ITYDIBZYBUPGTE-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)NC[C@@]1(C)CCC(=O)N1	838732776	GWVAKIICTDRCAK-CQSZACIVSA-N	310.785	1.943	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C(C)(C)SC)nc1C	831780438	XASFNKQPIWEONA-UHFFFAOYSA-N	312.395	1.546	50	20	DDGD	
O=C(NNC(=O)c1cccc2cccnc12)NOC1CCC1	836262849	HOPNPSRYZZGSNQ-UHFFFAOYSA-N	300.318	1.663	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	831241899	XLMRRGRZLMIHDX-JOYOIKCWSA-N	321.333	1.051	50	20	DDGD	
C[C@H]1C[C@@H]1CNC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836219080	BMHIBBJEHXFULL-DTWKUNHWSA-N	306.322	1.407	50	20	DDGD	
CC(=O)c1ccc(NC(=S)NNC(=O)c2cnn(C)c2)cc1	735417330	WSZQWYSLTUYZPJ-UHFFFAOYSA-N	317.374	1.254	50	20	DDGD	
Cc1cnc(CCNC(=O)NNc2cncc(Cl)n2)cn1	838732750	JRVIDLDXADTZOM-UHFFFAOYSA-N	307.745	1.097	50	20	DDGD	
Cc1cc2ccc(C(=O)NNC(=O)[C@@H]3CCCCO3)cn2c1	833236189	PURHZJICUXZYRQ-AWEZNQCLSA-N	301.346	1.578	50	20	DDGD	
O=C(NCCCn1cncn1)NNc1ccc(F)cc1Cl	914008697	OITJPRJRQXPYFT-UHFFFAOYSA-N	312.736	1.787	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)c1ccccc1F)OCC1CC1	840425792	BJQZZANFEGOMOD-UHFFFAOYSA-N	323.368	1.975	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cc2cccc(F)c2o1	747322598	DSVLEGPAFFFRSU-UHFFFAOYSA-N	313.288	1.971	50	20	DDGD	
C[C@H](Oc1cccc(F)c1)C(=O)NNc1ccnc(N(C)C)n1	740102817	OXQBYHCOLWHPDY-JTQLQIEISA-N	319.340	1.592	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cccc2c1CCC2	844568575	FSEWAQXMSRJFDX-AWEZNQCLSA-N	315.417	1.594	50	20	DDGD	
NNC(=O)CSCc1nc(O)c2c3c(sc2n1)CCC3	916665717	FTYVONQBKHABGT-UHFFFAOYSA-N	310.404	1.109	50	20	DDGD	
NC(=O)N1CCC[C@@H](C(=O)NNc2cc(F)c(F)c(F)c2)C1	748804920	IWBVQIOPUQRIEX-SSDOTTSWSA-N	316.283	1.338	50	20	DDGD	
CC1=NO[C@H](CNS(=O)(=O)c2ccc(CCl)cc2)C1	916073092	MSBRILSTUVBIOG-NSHDSACASA-N	302.783	1.869	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(Nc2nccs2)cc1F	911444757	JCZAPRQUBOCVST-SECBINFHSA-N	324.381	1.983	50	20	DDGD	
O=C(NNc1ccncn1)C1CCN([C@H]2CCSC2)CC1	848163305	JIWADCFRARXINT-LBPRGKRZSA-N	307.423	1.137	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1nnc(C(C)(C)C)s1	843970255	CRESBSMAILZRPC-JGVFFNPUSA-N	312.395	1.022	50	20	DDGD	
CCOc1ccc([N+](=O)[O-])cc1C=NNC(=O)[C@H]1CCO[C@@H]1C	842559880	YDDPNPKXGSHVQB-MFKMUULPSA-N	321.333	1.869	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C2CC3(CCC3)C2)c1	844127845	IPEHZEMGDUTZPB-UHFFFAOYSA-N	317.389	1.835	50	20	DDGD	
Cc1cc(C(N)=O)ccc1NC(=O)NNC(=O)C1CCCC1	916633887	QNDUDUDWRBOPMD-UHFFFAOYSA-N	304.350	1.437	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@H](O)c1ccccc1C(F)(F)F	911444439	DKJUNOSAQOULLK-KWQFWETISA-N	306.284	1.083	50	20	DDGD	
COc1cc(C=NNC(=O)CC(C)C)ccc1OCC(=O)O	916342518	BXGBRLWHLLXYBG-UHFFFAOYSA-N	308.334	1.655	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccc(N2CCCCC2)o1	744817050	FDVSYSUXPGHHTK-UHFFFAOYSA-N	306.366	1.245	50	20	DDGD	
CCOC(=O)[C@H]1CCCN(CC(=O)NNc2cccc(C)n2)C1	912982885	TVWVTSRSOZIUGJ-ZDUSSCGKSA-N	320.393	1.108	50	20	DDGD	
O=C(CCCOc1cccnc1)NNC(=O)NC1CCCCC1	742471559	GXAAQPICLBEDJV-UHFFFAOYSA-N	320.393	1.904	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@]12CCC(=O)N1c1ccccc1S2	913161791	VUKNPHVQDAYOFB-HNNXBMFYSA-N	319.386	1.419	50	20	DDGD	
CC(C)N1C[C@@H](NC(=O)NNc2ccc(F)c(F)c2)CC1=O	919710788	YAYXRGZRAUQARS-JTQLQIEISA-N	312.320	1.600	50	20	DDGD	
CC(C)(C)OC(=O)Cn1cccc1C=NNC(=O)C(C)(C)O	841638891	WREAPWVXHUVERV-UHFFFAOYSA-N	309.366	1.051	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCc1ccc(-c2ccccc2)[nH]1	910169298	AFLOBXROOKRTHA-ZDUSSCGKSA-N	301.390	1.958	50	20	DDGD	
C#CCOc1ccc(C(=O)NNc2ccnc(N(C)C)n2)cc1	743485221	XTTCJMPLDCOFGR-UHFFFAOYSA-N	311.345	1.312	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCO[C@H]2C)ccc1OCC#N	842559019	STFCSAGJLCOGLR-WCQYABFASA-N	317.345	1.473	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cccc3c2OC(C)(C)C3)cn1	846879326	NZRYWNQYMJPRKL-UHFFFAOYSA-N	314.345	1.208	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CCOc2ccc(F)cc21	740762300	KDVTUBNSYYUOIV-UHFFFAOYSA-N	321.352	1.733	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cccc(N(C)C)c1)C(F)(F)F	742487393	PUBWIIXYECMJAN-QMMMGPOBSA-N	303.284	1.712	50	20	DDGD	
COc1cccc(SCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	843647332	SQSAOCJVLWISLR-MFKMUULPSA-N	324.402	1.360	50	20	DDGD	
Nc1ccc(C(=O)NN=C2CCN(Cc3ccccc3)C2=O)cc1	743420551	JKJSKBUUCBIKON-UHFFFAOYSA-N	322.368	1.787	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1=Cc2cc(F)ccc2OC1	843662243	QAEVJOWJBKESBB-ZANVPECISA-N	320.320	1.174	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1cccc(N2CCOCC2)c1	840727823	ZXYBQXPPFYUDMX-SQFISAMPSA-N	315.373	1.583	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCCC1=NNC(=O)NCc1ccco1	741461439	IBKCMTUVDHCVLP-LBPRGKRZSA-N	313.379	1.422	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)CCc1c(C)nc(O)nc1O	748570269	FEOIUPVNUHFZKE-UHFFFAOYSA-N	320.324	1.720	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@](C)(O)[C@H](C)c1ccccc1	840572320	RNTOQIIFCMNECJ-BZNIZROVSA-N	316.361	1.483	50	20	DDGD	
Cc1cc(C=NNC(=O)Cc2nc3ccccc3n2C)nn1C	841611003	WUGOMLPLQXZSFQ-UHFFFAOYSA-N	310.361	1.308	50	20	DDGD	
O=S(=O)(CCl)N[C@H](CO)c1ccccc1C(F)(F)F	922025657	SEABETZTIDTSFL-SECBINFHSA-N	317.716	1.855	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)c1cccc(C)c1)[C@H]1CCCO1	754513791	HRNYAVNCDAPUNN-LSDHHAIUSA-N	319.405	1.303	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	755050338	XRYWHLRGUZRMON-MNOVXSKESA-N	312.341	1.413	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNC(=O)c1cccc(N(C)C)c1	858158294	DVBQOAPACBPARH-CQSZACIVSA-N	307.394	1.719	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCn2nc(C)cc2C)nc1	759728792	JJXODPNLURWVLB-UHFFFAOYSA-N	317.349	1.215	50	20	DDGD	
COCCN(C)NC(=O)[C@H](CN1CCCC1)c1ccccc1	854414213	XGHIVEKSSPKPTL-MRXNPFEDSA-N	305.422	1.475	50	20	DDGD	
CC(C)(O)[C@@H](Oc1ccccc1)C(=O)NNc1ncccc1F	854415237	DTNAHBHFTWVAKP-ZDUSSCGKSA-N	319.336	1.882	50	20	DDGD	
Cc1cc(C)c(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1	920381084	OBEJZMBMPRCYSR-CYBMUJFWSA-N	323.418	1.432	50	20	DDGD	
C[C@@]1(CNC(=O)[C@@H](O)Cc2ccccc2)C[C@H]1Br	857733462	LBXURIXXRLLELP-SCRDCRAPSA-N	312.207	1.880	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(N)c(OC(F)(F)F)c1	854412829	NBBVFXRCVQFMCL-UHFFFAOYSA-N	307.272	1.390	50	20	DDGD	
CC[S@@](=O)c1ccccc1C(=O)NNC(=O)NCC1CC1	920859109	MPXCVQYLRYAAMU-OAQYLSRUSA-N	309.391	1.168	50	20	DDGD	
CNC(=S)N(C)NC(=O)Cc1csc(-c2ccoc2)n1	854923863	LMAHCKDPRQREJQ-UHFFFAOYSA-N	310.404	1.413	50	20	DDGD	
CCC1(C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)COC1	755684679	UVUNGDVKHGLHPZ-UHFFFAOYSA-N	314.345	1.264	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=S)NCC2CCC2)cc(O)n1	855089473	SJUHUFXBMQWJCS-UHFFFAOYSA-N	322.434	1.820	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)OCC(F)(F)F)cc1Cl	856027322	IAMLKMOSIOXORS-UHFFFAOYSA-N	300.624	1.007	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=C2CC(=O)N3CCCC[C@H]23)c1	853426783	XNMXQZSUDLGYTR-CYBMUJFWSA-N	315.329	1.255	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H](C)C2CCOCC2)c1	858299984	DGGWXPDJEOQMKF-JTQLQIEISA-N	311.407	1.816	50	20	DDGD	
Cn1cc([C@@H]2C[C@H]2C(=O)NC[C@]2(C)C[C@H]2Br)cn1	857385924	NUKWIKFZHZSQER-WGBDABJCSA-N	312.211	1.813	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=C[C@@H]1C[C@@H]1c1ccccc1	755753869	NTCUNYGCHXZOMR-WCQYABFASA-N	312.329	1.336	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCCCO[C@@H]1CCOC1	853848094	OCLXFQKACBQSEY-CYBMUJFWSA-N	311.357	1.956	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@@H]2CCCCN(C)C2)n1	858768195	OCXZSPGFCHQGMA-LBPRGKRZSA-N	322.413	1.152	50	20	DDGD	
COC[C@](C)(NC(=O)NNC(=O)c1ccc(C)o1)C(F)(F)F	932331880	SYBLTZNBBHYMAO-NSHDSACASA-N	323.271	1.499	50	20	DDGD	
CC[C@@H]1COCC1=NNC(=O)C1CCN(c2ncccn2)CC1	853302447	CJLZDUMTYIWQFP-GFCCVEGCSA-N	317.393	1.222	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)C2CC(F)(F)C2)cc1	754204871	MUVPZOLONBUUHQ-UHFFFAOYSA-N	312.320	1.951	50	20	DDGD	
NC(=O)CCN(Cc1ccccc1)S(=O)(=O)CCCCl	37842509	VYFTZLDFYCABGP-UHFFFAOYSA-N	318.826	1.323	50	20	DDGD	
CCCNC(=O)NNC(=O)c1c[nH]cc1Cc1ccccc1	930791717	SXXLSLNDNLBFML-UHFFFAOYSA-N	300.362	1.960	50	20	DDGD	
CO[C@@H](C)CNC(=O)NNC(=O)Cc1ccc2ccccc2c1	852529249	FNSQWZCWGMVIBA-LBPRGKRZSA-N	315.373	1.748	50	20	DDGD	
O=Cc1cc(C(=O)NNC(=O)Cc2ccccc2F)cs1	755002299	UBGYTXFRVISWGV-UHFFFAOYSA-N	306.318	1.703	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@H]1CC(=O)N(C(C)C)C1	853770089	CSZJPSRDZORHQU-LBPRGKRZSA-N	308.357	1.770	50	20	DDGD	
O=C(NNC(=O)c1cc(C2CCCCC2)[nH]n1)c1cc[nH]n1	855357679	OVAMVIKTYGIDMW-UHFFFAOYSA-N	302.338	1.255	50	20	DDGD	
Cn1ncc(C2CC2)c1CNC(=O)NNc1cccc(F)n1	852578347	JGTJCUGZXSMWCZ-UHFFFAOYSA-N	304.329	1.658	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CO[C@H]2CCC[C@H](C)C2)n[nH]1	869012292	MBGKTZUVSIORIJ-GWCFXTLKSA-N	308.382	1.003	50	20	DDGD	
O=C(COc1ccccc1O)NNCC(F)(F)C(F)(F)F	863090641	UGDYASQJDAXXQN-UHFFFAOYSA-N	314.210	1.589	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(N2C[C@H](C)O[C@H](C)C2)cc1	868242545	QZWIIFQYZIEJMH-OKILXGFUSA-N	321.421	1.523	50	20	DDGD	
COCCOc1cccc(CC(=O)NN[C@@H](C)C(F)(F)F)c1	862314673	GUNQAFLURYGLST-JTQLQIEISA-N	320.311	1.826	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)C(F)=C2CCCC2)cc1	763010989	CHVRZXBIWJMVOZ-UHFFFAOYSA-N	317.320	1.882	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1ccc(F)c(Cl)c1	763830999	CDUAFJADRJHLKR-UHFFFAOYSA-N	301.705	1.221	50	20	DDGD	
CO[C@@]1(CNC(=O)NNc2ncnc3ccsc23)CCOC1	763714333	UGAZXAMKTOHQNH-CYBMUJFWSA-N	323.378	1.123	50	20	DDGD	
CCCn1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2OC)nn1	766424468	XENXYDZKRPDVHR-UHFFFAOYSA-N	306.278	1.824	50	20	DDGD	
C#CCOc1cccc(Cl)c1C=NNC(=O)[C@@H]1CCC(=O)N1	863153126	NEWDONVQFBFERL-LBPRGKRZSA-N	319.748	1.081	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@H]1COc2ccc(Cl)cc21	762058724	BJHJVYRWGZEGHR-NSHDSACASA-N	309.753	1.904	50	20	DDGD	
C[C@@H]1C[C@H](CC(=O)NNC(=O)CS(C)(=O)=O)CC(C)(C)C1	863460782	MQQFBSXYILKDTF-GHMZBOCLSA-N	318.439	1.031	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNc2ncccc2[N+](=O)[O-])ccn1	760131293	LZWWGJTWLGBMKQ-UHFFFAOYSA-N	317.305	1.929	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1cnc2[nH]cnc2c1	764197183	GZMZLRBNAAUSBW-UHFFFAOYSA-N	313.292	1.101	50	20	DDGD	
C[C@H](NNC(=O)c1coc(-c2cccnc2)n1)C(F)(F)F	862323524	WDBWVYFQCKIJPK-ZETCQYMHSA-N	300.240	1.922	50	20	DDGD	
CCOc1nccc(C)c1C(=O)NNc1nc(C)cc(OC)n1	765390844	RDYOJRGLXVGCBR-UHFFFAOYSA-N	317.349	1.653	50	20	DDGD	
Cn1cc(CCCNS(=O)(=O)CC(C)(C)CCl)cn1	866713015	NCOURZCMAGHRCF-UHFFFAOYSA-N	307.847	1.537	50	20	DDGD	
CC(C)N1CCC[C@@H]1C(=O)NNC(=O)Cc1ccccc1F	932376111	GZQFYFALJJQZSP-CQSZACIVSA-N	307.369	1.388	50	20	DDGD	
CC[C@]1(C(=O)NNC(=O)CCCc2ccccc2)CCNC1=O	865142707	JNZFPYNFLKLLMU-KRWDZBQOSA-N	317.389	1.073	50	20	DDGD	
Cc1nc([C@@H]2CCOC2)sc1C(=O)NNc1ncc(F)cn1	867042451	IBDDGULZIAUOOB-MRVPVSSYSA-N	323.353	1.641	50	20	DDGD	
CC(=NNC(=O)CS(C)(=O)=O)c1cc(Cl)cc(C)c1O	863185975	JQIPPWJPBQLUHX-UHFFFAOYSA-N	318.782	1.239	50	20	DDGD	
O=C(OCCOCCO)[C@@]12CC[C@@H](C[C@H]1Br)C2	869460651	RSAYHAMTDMYKDW-HOSYDEDBSA-N	307.184	1.492	50	20	DDGD	
CN(C)C[C@@](C)(O)CNC(=O)[C@H](Br)C(C)(C)C	768326857	ZQQIAMNTUFSZJS-CABZTGNLSA-N	309.248	1.225	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H]1CCN2CCCC[C@H]12	866502588	ICMIABWIWFCCMX-VXGBXAGGSA-N	308.875	1.798	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(F)cc1N(C)C	863149321	XGEORRKHLQUNPN-LBPRGKRZSA-N	306.341	1.011	50	20	DDGD	
CCn1ncc(C(=O)NNc2nccc(OC)n2)c1C1CC1	878193870	MUXJLDUFWCMATM-UHFFFAOYSA-N	302.338	1.336	50	20	DDGD	
CCC[C@H](CC)C(=O)OCC(=O)NNC(=O)c1ccccc1	873419542	VKXDDDXSFYNIPD-LBPRGKRZSA-N	306.362	1.817	50	20	DDGD	
O=C(O)CCCNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	776593297	GDHODTVIWFNFDB-HOTUBEGUSA-N	304.184	1.921	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNC(=O)c2ccccc2Cl)CC1=O	1117941808	MKHNRYRURRDARM-JTQLQIEISA-N	323.780	1.360	50	20	DDGD	
CCCn1cc(C=NNC(=O)[C@H](C)CN2CCCCCC2)nn1	872337251	YADSRIVEPIUJDL-CQSZACIVSA-N	320.441	1.650	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cccc([N+](=O)[O-])c2C)n1	775434635	LPAJHBCOOIUMSF-UHFFFAOYSA-N	318.293	1.850	50	20	DDGD	
O=C(COCC1CC1)NNc1ccnc(Br)c1	771531668	CYGRJCXEDWUHIN-UHFFFAOYSA-N	300.156	1.714	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@](C)(O)C(C)C	873769841	ZOERHMXCYGUSOJ-CQSZACIVSA-N	311.407	1.420	50	20	DDGD	
CCn1cc(-c2nn(C)cc2C(=O)NNC(=O)CC(C)C)cn1	778388925	TYYAMIIUIZKIIS-UHFFFAOYSA-N	318.381	1.111	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1ccnn1C	772996021	PTCOIDQBHCPVHQ-SECBINFHSA-N	322.752	1.302	50	20	DDGD	
CC[C@H](C)n1nc(C(=O)NNc2nccn(C)c2=O)cc1C	778506777	SAWQOYHWJGSYIF-VIFPVBQESA-N	304.354	1.013	50	20	DDGD	
CN1CCC(C=NNC(=O)c2nnc(O)c3ccccc23)CC1	872332989	ZBWVGSCIXQPHOZ-UHFFFAOYSA-N	313.361	1.393	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)NCCc2cccs2)CCO1	776343177	RHAQNCMUENBROV-GHMZBOCLSA-N	311.407	1.436	50	20	DDGD	
C=CCCCCNC(=O)NNC(=O)COc1ccc(OC)cc1	771375497	GBADJBUMZGXLLE-UHFFFAOYSA-N	321.377	1.761	50	20	DDGD	
Cc1cccc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)c1	771894989	SZUIWLOPJWLEFI-GFCCVEGCSA-N	306.362	1.734	50	20	DDGD	
CN(NC(=O)Nc1cccc(CN2CCOCC2)n1)C1CC1	889266845	JRLAEMYLBOSNHE-UHFFFAOYSA-N	305.382	1.045	50	20	DDGD	
Cc1ocnc1CNC(=O)NNc1cccc(S(C)(=O)=O)c1	776629493	MZLRWSYMUSFGFE-UHFFFAOYSA-N	324.362	1.213	50	20	DDGD	
CCOCC(=O)NN=C1CCC[C@H](C(F)(F)C(=O)OCC)C1	772841910	KEPHYDHQANNYBN-JTQLQIEISA-N	320.336	1.884	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1[C@H](C)[C@H](OC)C1(CC)CC	771433661	IKDRXXANSQNTBO-UHTWSYAYSA-N	315.414	1.193	50	20	DDGD	
CO[C@H]1CCC[C@@H]1C(=O)NNc1ccc(S(C)(=O)=O)cc1	1120622434	QGMCSIFSTHKNLO-STQMWFEESA-N	312.391	1.348	50	20	DDGD	
Cn1nncc1NNC(=O)C1(c2ccc(F)cc2)CCCC1	880121857	FHJULBQMJIJGSR-UHFFFAOYSA-N	303.341	1.909	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1c1ccccc1)C1CCCC1	782527009	MWRXMQDFVJGIKF-HNNXBMFYSA-N	301.390	1.993	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)c1ccc(OC2CCC2)cc1	882057462	DEROXQMVHCLEIW-UHFFFAOYSA-N	312.329	1.483	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)C1=NN2CCCN=C2N1	885127051	LJYRKPPMAZXCSX-UHFFFAOYSA-N	306.757	1.070	50	20	DDGD	
Cc1cccc(C(=O)NNc2ccc(-n3ccnc3)nn2)c1O	788175380	SHYSYCVTGPYEDN-UHFFFAOYSA-N	310.317	1.433	50	20	DDGD	
CCN1CCCC[C@@H]1CNC(=O)NNc1ncncc1Cl	780991225	WZHCWCROCFHTLH-SNVBAGLBSA-N	312.805	1.631	50	20	DDGD	
Cc1ccc(NC(=O)NNc2ncncc2Cl)cc1C(N)=O	782031362	GFXMUOYGRRKEST-UHFFFAOYSA-N	320.740	1.686	50	20	DDGD	
C[C@@H](NS(=O)(=O)CBr)C(C)(C)CN(C)C	782468672	ZGXXFILEODKONV-MRVPVSSYSA-N	301.250	1.235	50	20	DDGD	
CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)CSc1ccc(C)cc1	899954669	ISJCGUBAELITFS-DGCLKSJQSA-N	310.419	1.642	50	20	DDGD	
CO[C@@H]1CCOC[C@H]1NC(=O)NNc1ccc(F)cc1Cl	898077521	BEIMAZURDHQOIO-VXGBXAGGSA-N	317.748	1.909	50	20	DDGD	
C[C@@]1(C(=O)O)[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NNC(=O)c1ccccc1	899763108	ZUXJZLLYSRUIIL-SFDCBXKLSA-N	314.341	1.361	50	20	DDGD	
C[C@H]1C[C@H](C)CCC1=NNC(=O)N[C@H]1CCS(=O)(=O)C1	783833252	VCISUEIKGQYYFD-VWYCJHECSA-N	301.412	1.285	50	20	DDGD	
CCCC[C@@H](SCC(=O)NNC(=O)C(C)(C)C)C(=O)OC	794448678	GIWHGUMLCOPGJV-SNVBAGLBSA-N	318.439	1.645	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCCO2)c1ccnc(O)c1	790291568	XLKXBFPGHFTUKU-UHFFFAOYSA-N	313.313	1.712	50	20	DDGD	
O=C(NN=Cc1cscc1Br)C(=O)NC1CC1	794886289	HRRQAUDIRPXYIH-UHFFFAOYSA-N	316.180	1.239	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)c2ncccc2O)c1	798249927	XMHGQZPCIOJSAD-UHFFFAOYSA-N	315.333	1.638	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccccn1)NC(=O)OC(C)(C)C	792251612	JVGHJHQCXGEDTJ-JTQLQIEISA-N	309.370	1.621	50	20	DDGD	
C[C@@H](Oc1ccc(C=O)cc1)C(=O)NNC(=O)c1cccn1C	794829836	ZWPQPHMKDOVEPE-LLVKDONJSA-N	315.329	1.066	50	20	DDGD	
COc1cncc(C(=O)NNc2ccc(C#N)c(Cl)c2)n1	790884935	WAZXPHKQNMFXSP-UHFFFAOYSA-N	303.709	1.767	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccccc2OC)ccn1	1318341319	PYURMNJOLISDTB-UHFFFAOYSA-N	301.302	1.174	50	20	DDGD	
CC[C@H](NC(=O)NNc1nncc(N)c1Cl)c1ccncc1	1319221381	BEPWUMKZEXTJEC-JTQLQIEISA-N	321.772	1.885	50	20	DDGD	
CN(C)[C@@H]1CCCC[C@H]1NC(=O)NNc1ccc(Cl)nn1	1321729775	CJSRBSBDNMWUGT-NXEZZACHSA-N	312.805	1.629	50	20	DDGD	
CCC[C@@H]1CN(C(=O)NNC(=O)c2cc(C)cs2)CCO1	1329760184	VGETWUGCLAOPDZ-LLVKDONJSA-N	311.407	1.912	50	20	DDGD	
Cc1c(C#N)cccc1C(=O)NNc1nncc(N)c1Cl	1327114187	RAQVUNXSHUFCEL-UHFFFAOYSA-N	302.725	1.649	50	20	DDGD	
CC(C)(C)OC(=O)Nc1ccc(C=NNC(=O)CCO)cn1	1322474672	LWDJZVPFYFRNRO-UHFFFAOYSA-N	308.338	1.261	50	20	DDGD	
Cc1cc(-c2ncccc2NC(=O)NNC(=O)CCO)cs1	1320563723	WXIOMXLOZAESCN-UHFFFAOYSA-N	320.374	1.654	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)CCN1CCC(C)CC1	1322225670	XSBWHQFDCHSZFX-LBPRGKRZSA-N	300.472	1.402	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)NCCCCN)c(Cl)c1	1325681816	PYVHRPPLVZOGOB-UHFFFAOYSA-N	313.789	1.723	50	20	DDGD	
COc1ccc(C=NNC(=O)C[n+]2ccccc2)cc1Cl	1322446487	ROEJUBYMJLQOQW-UHFFFAOYSA-O	304.757	1.786	50	20	DDGD	
O=S(=O)(N[C@H](CCO)C1CC1)c1ccc(CCCl)cc1	751440697	LJKZDOAWBCBDTC-CQSZACIVSA-N	317.838	1.907	50	20	DDGD	
C=CCNC(=S)NNC(=O)C1(Sc2ccccc2)CC1	1256497600	YMJORKOYBVZVFC-UHFFFAOYSA-N	307.444	1.993	50	20	DDGD	
Cc1cc(Br)ccc1C=NNC(=O)C[N+](C)(C)C	1256369887	IUYYRASWTHIQKC-UHFFFAOYSA-O	313.219	1.914	50	20	DDGD	
Cn1cc(/C=C\C(=O)NNc2cncc(Br)c2)cn1	1335974598	RSGZQSUEEDMLNX-IHWYPQMZSA-N	322.166	1.734	50	20	DDGD	
Cc1nnsc1C=NNC(=O)c1cncn1-c1ccccc1	1330285621	KAYQTHJKIDIDLL-UHFFFAOYSA-N	312.358	1.796	50	20	DDGD	
CCOC(=O)C1(CNC(=O)NNC(=O)C2CCC2)CCCC1	1263137889	VUXJGDVCMQEBBS-UHFFFAOYSA-N	311.382	1.240	50	20	DDGD	
O=C(NNc1ccccc1Cl)[C@@H]1CCc2nnc(O)n2C1	1346937093	ZAGHMYAXHWKEGB-MRVPVSSYSA-N	307.741	1.343	50	20	DDGD	
O=C(/C=C\c1nccs1)NNC(=O)CCOc1ccccc1	1263757672	BXHQLBSNAOFBAT-SREVYHEPSA-N	317.370	1.773	50	20	DDGD	
Cc1cn(CC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c2ccccc12	1261501111	QACREIPEQQAQGX-GXTWGEPZSA-N	315.373	1.522	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)N[C@@H](C)c1nnnn1C	1346642005	QGNQEFPLEQOLQU-QMMMGPOBSA-N	309.761	1.559	50	20	DDGD	
Cc1ncc(NC(=O)NNc2ccc(C(=O)O)c(F)c2)cn1	1600742786	ADEJJFOXVPAROU-UHFFFAOYSA-N	305.269	1.771	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)N2CCC[C@@H](C)C2)cc1C(=O)O	1607808491	QPDHDSZKMHNNSI-SNVBAGLBSA-N	319.361	1.395	50	20	DDGD	
C[C@@H](CC(=O)NNc1cccc(C(=O)O)c1F)c1cnn(C)c1	1609727042	UBVHUHQTYQOUNH-VIFPVBQESA-N	320.324	1.894	50	20	DDGD	
O=C(O)Cc1cccc(C(=O)NNC(=O)CCc2ccco2)c1	1602135089	NJICKHUORIAQNC-UHFFFAOYSA-N	316.313	1.301	50	20	DDGD	
CC[C@H](C(=O)O)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	1609886931	XDMBNRJZWBUKRC-JTQLQIEISA-N	324.402	1.889	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NC1(C(=O)O)CCCC1	1601046349	SXTKDNKZGHPDPO-FMIVXFBMSA-N	300.314	1.813	50	20	DDGD	
O=C(CSc1ccncc1)NNc1ccc(C(=O)O)cn1	1610672648	MJILRNGNVWDCAG-UHFFFAOYSA-N	304.331	1.410	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@@H]1C(=O)NN=C1COC(C)(C)C1	1549314391	IJWQAZODPHSELX-JSGCOSHPSA-N	320.393	1.559	50	20	DDGD	
CC(C)[C@@H]1N(C)C[C@]12C[C@H](O)[C@H](NC[C@H]1[C@@H](Cl)[C@@H]1C)C2	1550663979	IUHSNWQSRIFPIL-HIXRJMOCSA-N	300.874	1.929	50	20	DDGD	
C/C(=C(\F)C(=O)NNc1ccc(-c2nn[nH]n2)cn1)C1CC1	1588751192	KQWSUUHXUVNIRD-YRNVUSSQSA-N	303.301	1.358	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)CCOC)C1	1842773307	ZDPKOWRKOPBRMS-LLVKDONJSA-N	302.802	1.244	50	20	DDGD	
CCn1cc(CNC(=O)NNc2ccc(CC(=O)O)cc2)cn1	1597889436	BKCZLFHUHOJTDK-UHFFFAOYSA-N	317.349	1.356	50	20	DDGD	
Cc1ccoc1C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1843466823	QOVCJCHPMRZCEX-LLVKDONJSA-N	314.744	1.939	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2ccncn2)C1	1843471124	PJCDQAAQKPBKSE-LLVKDONJSA-N	322.796	1.311	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(C(=O)O)c(Cl)c1	1596662858	KYZDFRKETJOIDY-UHFFFAOYSA-N	301.686	1.821	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@H]1CC[C@H]2CCCCN21	1595261843	KEWRSDYVMDOULT-ZYHUDNBSSA-N	304.350	1.240	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNc1cccc(C(=O)O)c1F	1599796623	ROVQVSNZGWEGFT-SECBINFHSA-N	302.327	1.081	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)cc1	1592128743	WCELXBCAJCBBGJ-UHFFFAOYSA-N	322.328	1.250	50	20	DDGD	
Cc1occc1C(=O)NNC(=O)c1ccc2c(c1)OCCO2	5273143	YPOUQVWEAXKCJM-UHFFFAOYSA-N	302.286	1.434	50	20	DDGD	
O=C(NNc1ncccn1)[C@@H](O)c1cc(Cl)cc(Cl)c1	158161861	VFVIIDNALIANKS-JTQLQIEISA-N	313.144	1.960	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2sccc2-n2cccc2)[nH]n1	151160823	UDYCVTNJYROMPY-UHFFFAOYSA-N	315.358	1.645	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCn2cncc2C1)c1cc2ccccc2o1	153377568	QQPOIAKYVGUIOY-GFCCVEGCSA-N	324.340	1.653	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc(N2CCCC2)c(F)c1	155825819	YTAJMGUMSURPAN-UHFFFAOYSA-N	323.372	1.140	50	20	DDGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCCCN1	159849217	YLBPEJORFXGYAE-LLVKDONJSA-N	321.768	1.975	50	20	DDGD	
COC(=O)C(C)(C)CNS(=O)(=O)c1ccc(CCl)cc1	312276140	RACFWLJPAKNKJH-UHFFFAOYSA-N	319.810	1.903	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1cccc(Br)c1	6316494	DISPRIFWXHDWMK-UHFFFAOYSA-N	323.168	1.389	50	20	DDGD	
O=C(NNC(=S)NC1CC1)c1cc2ccccc2cc1O	7572234	KCEAPTRXWYORED-UHFFFAOYSA-N	301.371	1.817	50	20	DDGD	
COC[C@@H](C)NC(=S)NNC(=O)c1ccc(Cl)cc1F	7960074	VEIDRZOJBGVWGK-SSDOTTSWSA-N	319.789	1.623	50	20	DDGD	
CCc1nc(CC(=O)NNC(=O)NCC(F)(F)F)cs1	57292346	VLIDJAVITWYFDF-UHFFFAOYSA-N	310.301	1.141	50	20	DDGD	
O=C(CN1CCN(c2ccccn2)CC1)NNc1ccccc1	175179017	KYMHFLDOORCHGE-UHFFFAOYSA-N	311.389	1.347	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNc2ncnc3nc[nH]c23)s1	173932750	YLVRDFUMEWSWET-UHFFFAOYSA-N	317.378	1.864	50	20	DDGD	
Cc1cc2c(cc1C)O[C@@H](C(=O)NNC(=O)c1cccnc1)C2	173034541	CJLZLTSKWATFTN-OAHLLOKOSA-N	311.341	1.463	50	20	DDGD	
C[C@H]1CCC[C@H](CNC(=O)NNC(=O)Cc2ccncc2)C1	176265575	KOPPUDLODSTPSW-JSGCOSHPSA-N	304.394	1.781	50	20	DDGD	
Cn1cc(CNC(=O)NNc2ccc(OC(F)F)cc2)cn1	170686267	UESBYVAMOWLOAA-UHFFFAOYSA-N	311.292	1.848	50	20	DDGD	
CN(C)c1ccnc(C(=O)NNc2cccc([N+](=O)[O-])c2)c1	119882803	OWBXRGXMVONMJA-UHFFFAOYSA-N	301.306	1.813	50	20	DDGD	
CC(C)CCC(=O)NCC(=O)NNC(=O)NC1CCCCC1	171944223	XPJVDHHNZCSOSH-UHFFFAOYSA-N	312.414	1.202	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)Cc2ccncc2)cc1	177062888	CACSTSUHNXGQOS-UHFFFAOYSA-N	314.345	1.163	50	20	DDGD	
CC(C)[C@@H](C)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1	171940632	WGLFRPFEYCGBEK-GFCCVEGCSA-N	319.409	1.133	50	20	DDGD	
Cn1cnc(C(=O)NNC(=O)c2cc3ccccc3cc2O)c1	179073112	RHDHSISMNXGBHP-UHFFFAOYSA-N	310.313	1.354	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CCC2CCOCC2)cc1	172918193	ZLCDPUFYEZCDFX-UHFFFAOYSA-N	301.346	1.526	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1cnn(C)c1)c1nc(C)cs1	118072587	ANRLLBOUUSBMBJ-JTQLQIEISA-N	322.394	1.280	50	20	DDGD	
C#CCCCNC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	173320843	NDMYFDFPKJGYNK-LLVKDONJSA-N	307.325	1.337	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccnc1N1CCCCC1	68385157	MZELUGJQAKGZLB-UHFFFAOYSA-N	319.409	1.816	50	20	DDGD	
Cc1cccc2nc(CNC(=O)NNC(=O)CC(C)(C)C)cn12	69479382	GXGLQSAUANKLCG-UHFFFAOYSA-N	317.393	1.909	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)Cn1ccc2ccccc21	126504841	FDDLGZRPIMGBLO-LBPRGKRZSA-N	303.362	1.604	50	20	DDGD	
COc1cccc(NNC(=O)CCNC(=O)c2ccsc2)n1	180708751	PDACDOHQGMTRND-UHFFFAOYSA-N	320.374	1.415	50	20	DDGD	
C[C@]1(NC(=O)c2cccc(CCl)c2)CCS(=O)(=O)C1	37003325	XHBSOWZMMXGWPV-ZDUSSCGKSA-N	301.795	1.732	50	20	DDGD	
Cc1cc(C)nc(NC(=O)NNC(=O)Cn2nc(C)cc2C)c1	126689499	ORWNYCQXPANMER-UHFFFAOYSA-N	316.365	1.365	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cc(C(=O)N(C)C)ccc1C	184042130	RXPUCIDCVGTDFE-SNVBAGLBSA-N	320.393	1.896	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cccc(C)n2)c(O)c1	125224770	XDQUPDYRPRMGHT-UHFFFAOYSA-N	300.318	1.871	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@H](C)SC	75936922	KOIDKGFBZKYVQR-ZETCQYMHSA-N	302.783	1.861	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2)N(C)C	126325836	SNXBTWIHUHAMQL-JQWIXIFHSA-N	323.462	1.974	50	20	DDGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccc(=O)[nH]n1	126176666	WWOLXEBXPIBCPC-UHFFFAOYSA-N	317.107	1.973	50	20	DDGD	
Cc1cc(NNC(=O)c2cccc(-n3cccn3)n2)nc(C)n1	128907447	FIWWMHFSXKRDEZ-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
CC(=O)N1CCN(Cc2ccccc2NC=C(C#N)C#N)CC1	186951852	XBGZBCKRMKBZGB-UHFFFAOYSA-N	309.373	1.694	50	20	DDGD	
O=C(CO)NNC(=O)Nc1cccc(N2CCCCCC2)c1	186024231	ZUDKOWNXEWYWJJ-UHFFFAOYSA-N	306.366	1.212	50	20	DDGD	
CCOC(=O)NNC(=O)c1csc(-c2ccc(C)n2C)n1	121963958	OPPDZIHATAGWBF-UHFFFAOYSA-N	308.363	1.848	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)Nc2cccc(C)c2C)n(C)n1	126307766	LBDATHQQOQUFQU-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
CC(=O)c1ccccc1C(=O)NNC(=O)c1ccc(C#N)cc1	73173397	YLMVORPSFYDMIB-UHFFFAOYSA-N	307.309	1.836	50	20	DDGD	
N#C/C(=C/c1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCO1	212129345	YDXCYCJGRBLAOQ-FSBNRTBOSA-N	301.302	1.797	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cc(C)ccc2O)cc1	78406720	GNCYIUUQPRHSIK-UHFFFAOYSA-N	313.357	1.882	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H](C)CC(=O)OC)c1ccccc1	132395916	SZVUFYCIEWXESW-WCQYABFASA-N	306.362	1.527	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)Nc1nc2ccccn2n1	184393878	AIRFSXQYOVMEKJ-UHFFFAOYSA-N	313.277	1.786	50	20	DDGD	
CC[C@@H](C)Oc1cc(C(=O)NNC(=O)c2cc(C)n[nH]2)ccn1	180935659	YSSHLQCCSGWPMW-SNVBAGLBSA-N	317.349	1.365	50	20	DDGD	
CC(C)Cn1ncc2cc(C(=O)NNC(=O)NC(C)C)cnc21	131941404	PZBXZERDWVNIDI-UHFFFAOYSA-N	318.381	1.440	50	20	DDGD	
C[C@H](NC(=O)c1ccoc1)C(=O)NNC(=O)NC1CCCCC1	193919523	RMEMHEJZTFPCGJ-JTQLQIEISA-N	322.365	1.061	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@@H]1CCCCN1C(=O)c1cccs1	194922630	KUILJBHJYOFUEE-JTQLQIEISA-N	324.406	1.045	50	20	DDGD	
CC(C)=CCNC(=O)NNC(=O)Cc1nc2ccccc2n1C	190642910	HWNHJUHGTWXXBH-UHFFFAOYSA-N	315.377	1.412	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C[C@H]2CCCOC2)cc1	195276614	QPUZZHJZTRYIQJ-CYBMUJFWSA-N	305.378	1.371	50	20	DDGD	
O=C(NNc1ccccn1)N[C@@H]1CCN(CC(F)(F)F)C1	131323416	RMORFLDZWOGYIC-SECBINFHSA-N	303.288	1.344	50	20	DDGD	
CCc1ccccc1NC(=O)C(=O)NNc1ccnc(F)c1	190309044	CNBFLYWVKARCAX-UHFFFAOYSA-N	302.309	1.865	50	20	DDGD	
CCN(C)c1ccc(/C=C(\C#N)C(=O)N[C@H](C)COC)cn1	190236131	SPJYTAQFDVMMPZ-ZBQKXELDSA-N	302.378	1.596	50	20	DDGD	
CC[C@H](NNC(=O)[C@@H](C)Oc1cccc(C)c1C)C(=O)OC	192828688	QPSZGBPBYJYLCV-OLZOCXBDSA-N	308.378	1.643	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C[C@@H](N)c2ccccc2)n1	237304642	ROKLKJWFJKPZMB-GFCCVEGCSA-N	301.350	1.327	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CCCCN2S(C)(=O)=O)cc1	97373022	IHLJDXBYASWIQY-CYBMUJFWSA-N	311.407	1.252	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)n1	250871964	CYNWVYCGVYTYCI-MELADBBJSA-N	304.394	1.474	50	20	DDGD	
O=C(C[C@@H]1CCc2ccccc2C1)NNC(=O)N1CCOCC1	264802911	CMJWAFVNHJNLNQ-CYBMUJFWSA-N	317.389	1.255	50	20	DDGD	
Cc1nnc(-c2ccccc2C(=O)NNC(=O)C2CCC2)o1	268841528	VYCKEKWUYVVDOS-UHFFFAOYSA-N	300.318	1.606	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CN(C)C(=O)OC)c1ccccc1	264684937	LVUVEGNGRBIREP-LBPRGKRZSA-N	307.350	1.026	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccccc1OC(C)C	264338139	XNLABACYKLGHJF-UHFFFAOYSA-N	309.366	1.454	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@](C)(CC(=O)OC)c1ccncc1	275285099	NPLQLDMLECDFBN-LPQFERQCSA-N	317.345	1.420	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cn(C)nc1-c1ccccc1	275968267	AVZVVZBIYKHSJJ-UHFFFAOYSA-N	316.365	1.785	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C(C)(C)c2ccccc2)nn1C	274832205	ZPKGTAABYQNUFA-UHFFFAOYSA-N	316.361	1.168	50	20	DDGD	
O=C(NC[C@H]1C[C@H]2CC[C@H]1C2)NNc1nc2ccccn2n1	276585144	NPXHNONEYNXOIQ-SDDRHHMPSA-N	300.366	1.792	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H](NC(=O)NNC(=O)c2cc(C)oc2C)C1	279755316	QUMSIMABFXVNNN-WDEREUQCSA-N	323.349	1.182	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@H](OC)C2CC2)o1	279627802	VHSAEXPHMPETIP-CQSZACIVSA-N	323.393	1.307	50	20	DDGD	
CSc1ccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)cc1	274080577	QQGBJLYOECYRHE-UHFFFAOYSA-N	323.418	1.931	50	20	DDGD	
CC[C@@H]1C[C@@H](C(=O)NNc2ccc(C(=O)OC)cn2)CCO1	272710518	XNJITKQLILQKOB-CMPLNLGQSA-N	307.350	1.517	50	20	DDGD	
CCOc1cccc(C(=O)NNC(=O)C(C)(OCC)OCC)c1	276519386	GDRGQQRZUXWXNF-UHFFFAOYSA-N	324.377	1.636	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@@H]2CCCCN2C2CC2)n1	277725720	HZYSNDOQDCXGDC-ZDUSSCGKSA-N	319.409	1.733	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H]1CCCN1C1CCCC1	274145811	XZYOSHHNQSKXQE-GFCCVEGCSA-N	305.382	1.335	50	20	DDGD	
COc1ccc(-n2nc(C(=O)NNC(=O)C3CC3)cc2C)cc1	271349014	KYMIXZHCXFNZJI-UHFFFAOYSA-N	314.345	1.360	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(OC[C@H]2CCCO2)cc1	271250908	FDFYMADTPRKGSF-CQSZACIVSA-N	321.377	1.551	50	20	DDGD	
CC[C@@H]1C[C@@H](CC(=O)NNC(=S)Nc2ccccn2)CCO1	273069470	FIUQRBCJUWVOJT-NWDGAFQWSA-N	322.434	1.995	50	20	DDGD	
CCc1cc(C)cc(CC)c1NC(=O)C(=O)NNC(=O)C1CC1	281132120	WGFOJEJNPRDFRA-UHFFFAOYSA-N	317.389	1.616	50	20	DDGD	
CCOC1(C(=O)NNC(=O)Cc2ccccc2OC)CCCC1	284724740	RPSCHAVKWJJGQU-UHFFFAOYSA-N	320.389	1.734	50	20	DDGD	
COC(=O)N(C)NC(=O)c1oc2ccccc2c1CN(C)C	286159258	BAJBXZSOOPPXFU-UHFFFAOYSA-N	305.334	1.837	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C[C@H]2CCC[C@H]2C)cc1	282778543	LFNKSLDHHOMOKZ-CHWSQXEVSA-N	317.389	1.907	50	20	DDGD	
COc1ccc(C(=O)NCCSSC)cc1OCCO	283866310	BTNPXRBLARMYKM-UHFFFAOYSA-N	317.432	1.807	50	20	DDGD	
CO[C@H]1CCC[C@@H](CC(=O)NNC(=S)Nc2ccccn2)C1	280743305	KFGWAINJKLGUCC-NEPJUHHUSA-N	322.434	1.995	50	20	DDGD	
CN(C)[C@@H](C(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccc1	295686191	YODLITWMMSRKEE-UONOGXRCSA-N	305.378	1.006	50	20	DDGD	
Cc1[nH]c2ccccc2c1CC(=O)NNC(=O)[C@H]1CCCCO1	295371119	JZQCEEPVDBADJM-OAHLLOKOSA-N	315.373	1.735	50	20	DDGD	
C[C@@H](CN1CCCC1=O)NC(=O)NNc1cccc(Cl)n1	292619683	IREZKNMVLRFFOY-VIFPVBQESA-N	311.773	1.372	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H](c1ccccc1)C1CC1	802036258	SEQVVLJLAXJJHK-HNNXBMFYSA-N	310.357	1.850	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)[C@@H]1OC[C@H]2COCC[C@@H]21	290426499	MTEPHIVLGPWGBJ-JRPNMDOOSA-N	314.345	1.124	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1ccc(C(=O)OC)o1	299329370	PWQHKMCGOVGPKS-PKNBQFBNSA-N	306.318	1.516	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H]2CCc3nnn(C)c3C2)cc1	294253356	HFIXXZVLRPJLRF-NSHDSACASA-N	315.377	1.462	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)NC(=O)C2CCCC2)s1	299205124	BSKGDNUDZIIJHC-JTQLQIEISA-N	323.418	1.512	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)N[C@@H]1CC1(C)C	299059527	KSQNHLDXMXZASG-BXKDBHETSA-N	309.341	1.722	50	20	DDGD	
O=C(NNc1ccc(F)cc1)C(=O)N1CCc2cc(F)ccc21	802565106	VJRBHOAYDBYESC-UHFFFAOYSA-N	317.295	1.997	50	20	DDGD	
CN(NC(=O)/C=C/c1ccc(C(N)=O)cc1)C(=O)OC(C)(C)C	297585043	IBYWRIZLDAWIAL-JXMROGBWSA-N	319.361	1.697	50	20	DDGD	
Cn1nccc1COCC(=O)NNc1nccc2sccc12	806861894	XYDWAJBZRRAYDS-UHFFFAOYSA-N	317.374	1.690	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)Cc1ncccc1OC	807195200	ZQDUMUASRBQNIZ-UHFFFAOYSA-N	315.329	1.563	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)Cn1ncc2ccccc2c1=O	808246670	HZLHBPFQTSYOMM-UHFFFAOYSA-N	314.172	1.659	50	20	DDGD	
CC/C(C)=C/C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1	294577702	SWBWRAWULPPQBT-CSKARUKUSA-N	310.375	1.207	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)[C@H]1CCCSC1	809933838	WTBLQUWXQQPJHC-JTQLQIEISA-N	312.366	1.495	50	20	DDGD	
CC(C)[C@H](O)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	291506891	WNIDUZWPFLEICK-ZDUSSCGKSA-N	310.419	1.795	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)c2[nH]nnc2C)cc1	800688793	LHOJKYDUFJZTMT-UHFFFAOYSA-N	320.378	1.143	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)[C@@H](F)C(F)(F)F	291165063	YXUJPDKBZXPLSK-RXMQYKEDSA-N	306.141	1.839	50	20	DDGD	
CN(CCNC(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccc1	297639060	SVXFLOHBIPVXME-AWEZNQCLSA-N	320.393	1.022	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H]1CCCCN1Cc1ccccc1	294071053	HDFPYIBUTBOHSG-INIZCTEOSA-N	315.417	1.989	50	20	DDGD	
COC(=O)c1cccc(C(=O)NN(C)C(=O)OC(C)(C)C)n1	297578967	HSTIAXSMIYALCG-UHFFFAOYSA-N	309.322	1.380	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(F)c(F)cc1F	295652025	VAAAZEIZNYSJQT-LLVKDONJSA-N	302.252	1.434	50	20	DDGD	
CCCc1nnc(SCC(=O)NNc2ccccc2)n1N	292270332	UFMVNOJOSQQDBG-UHFFFAOYSA-N	306.395	1.180	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)C(C)(F)F	815488826	JLJNIVJAIFOPKA-IUCAKERBSA-N	308.325	1.403	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@@H]2CN(C)CC[C@H]2C1	812324115	MJRCEJDCXIDZBR-KBPBESRZSA-N	324.856	1.762	50	20	DDGD	
CSSCCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1	819297524	SHHOAJWRRXCQSH-LLVKDONJSA-N	318.420	1.935	50	20	DDGD	
COCCCNC(=O)NN=C1Cc2[nH]c3ccccc3c2C1	814820083	WNYRCHXACPQPST-UHFFFAOYSA-N	300.362	1.958	50	20	DDGD	
C[C@@H]1CCCC[C@H]1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	819535166	NKCKXKZUIMVIHA-JHJVBQTASA-N	302.440	1.305	50	20	DDGD	
Cn1ncc(C=NNC(=O)COc2ccc(Cl)cc2)c1N	814723200	LSWUKXDMGAQOCB-UHFFFAOYSA-N	307.741	1.185	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H](C)[C@H]1OCCc2sccc21	814632169	BBCYJDGNCVSCSQ-JOYOIKCWSA-N	311.407	1.738	50	20	DDGD	
CC(=NNC(=O)c1cc(C)[nH]n1)c1cccc(-c2nn[nH]n2)c1	819773134	OQZDOXRGPDGVEO-UHFFFAOYSA-N	310.321	1.052	50	20	DDGD	
CCCC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cccnc1	814815516	ANDVKTAYLCAXLB-GFCCVEGCSA-N	324.406	1.072	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)CNc1cccc(OC)c1	812456185	RKHGVPFGVLTRPF-VXGBXAGGSA-N	323.393	1.173	50	20	DDGD	
COc1ccc(CCC(=O)NN=C(C)C[C@@H]2CCC(=O)N2)cc1	811639220	RXKYJMBZYFKUAS-AWEZNQCLSA-N	317.389	1.789	50	20	DDGD	
CCCCc1ccc(CC(=O)NNC(=O)c2ccnnc2)cc1	817692258	IQFHEEFDSOGAEX-UHFFFAOYSA-N	312.373	1.823	50	20	DDGD	
CC(C)C(=O)NNC(=O)C[C@H](c1ccccc1)N1CCOC1=O	728265042	OMYYQKQLMDXUES-CYBMUJFWSA-N	319.361	1.373	50	20	DDGD	
CCN(CCO)NC(=O)Cc1ccc(F)cc1Br	823873746	HTEGKLSEPBJMCE-UHFFFAOYSA-N	319.174	1.476	50	20	DDGD	
Cc1cc([C@@H]2CCCN2C(=O)NNC(=O)[C@H]2CCO[C@H]2C)on1	827316047	YLHKOXFPWOEDRK-SRVKXCTJSA-N	322.365	1.286	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NN=Cc1cncs1	494299686	ODIZLGGVLSPHSS-UHFFFAOYSA-N	312.395	1.898	50	20	DDGD	
COC(=O)NNC(=O)Nc1cccn(Cc2ccccc2)c1=O	493242523	AQVIUNKACKYRPU-UHFFFAOYSA-N	316.317	1.289	50	20	DDGD	
Cc1oc(-c2cccs2)nc1CC(=O)NN(C)C[C@@H](C)O	821217386	IMRFCIIDXSQJJM-SECBINFHSA-N	309.391	1.598	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)Nc2cc(F)cc(F)c2)CO1	827617243	FCZOEXDDUNJOTF-RDDDGLTNSA-N	314.292	1.478	50	20	DDGD	
Cc1cccc(OCCNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	825558478	KTQXNOQARYPOGG-OCCSQVGLSA-N	321.377	1.129	50	20	DDGD	
CCc1nocc1C(=O)NNC(=S)NCCc1cccs1	820164651	GWEVDNSLZPTOPW-UHFFFAOYSA-N	324.431	1.650	50	20	DDGD	
CN(C)CCN(CC(=O)O)C(=O)[C@@H](Br)C(C)(C)C	820539879	ZMWDGKDMPFCPNF-SNVBAGLBSA-N	323.231	1.271	50	20	DDGD	
CCC(=NNC(=O)CCNC(=O)OC(C)(C)C)c1cnn(C)c1	495085400	IKFAIPLKKGNNEZ-UHFFFAOYSA-N	323.397	1.565	50	20	DDGD	
CN(C)CC(=O)NN=CC1CCN(C(=O)OC(C)(C)C)CC1	492988031	CBQQSLZKUYJPKO-UHFFFAOYSA-N	312.414	1.297	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1ccc(NC(=O)NC2CC2)cc1	727647803	IRYOVYKGMHJUFB-UHFFFAOYSA-N	317.393	1.372	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc(S(=O)(=O)C2CC2)cc1	823247480	PCPCJJDBZPPFIV-UHFFFAOYSA-N	322.386	1.184	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)N(C)C)c2ccccc2n1	822653154	PQHFSCAREWDDED-LLVKDONJSA-N	300.362	1.254	50	20	DDGD	
O=C(c1ccc(N2CCCCCC2)nc1)N1CC[C@@H](B(O)O)C1	585070292	VJTNVZYVQMPZJZ-CQSZACIVSA-N	317.198	1.151	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2CCN(C(C)(C)C)C2=O)nc1	827075461	BGFNJDQGJILWIG-LLVKDONJSA-N	305.382	1.416	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cccc(Br)n1	490813120	OIOSWVQEJNQZGT-VQHVLOKHSA-N	310.151	1.514	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1cn(C(C)(C)C)nn1	496341716	JXZHJAHQNJPBFG-UHFFFAOYSA-N	324.385	1.008	50	20	DDGD	
COC(=O)CC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	905107673	CPQJXGLUSJJAMG-UHFFFAOYSA-N	308.378	1.303	50	20	DDGD	
CN(C)CCN(C)CCCNC(=O)[C@]1(C)C[C@H]1Br	908240479	WBDWBSQSULIQLB-DGCLKSJQSA-N	320.275	1.160	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)C(C)C)cccc1N1CCOC1=O	496616991	KHJXYTLOZBXVRZ-UHFFFAOYSA-N	320.349	1.760	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(C)cc1OCCN(C)C	494556594	XBUIACXVDXWAIC-UHFFFAOYSA-N	324.381	1.718	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccccc2S(C)(=O)=O)n1	837301443	YKKDSFYSZYMCDN-UHFFFAOYSA-N	320.374	1.254	50	20	DDGD	
COc1ccc2c(c1)CCCN2CC(=O)NNC(=O)C1CC1	733193474	QIHNEMDXGQVPKX-UHFFFAOYSA-N	303.362	1.005	50	20	DDGD	
CNC(=O)NNC(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C	900353760	ZYPWTPVWMGUKSU-JTQLQIEISA-N	316.402	1.228	50	20	DDGD	
C[C@H]1CCC[C@@H](OCC(=O)NNC(=O)c2ccccc2O)C1	732996914	PBAADYMFNCTMAD-NWDGAFQWSA-N	306.362	1.749	50	20	DDGD	
CC[C@H](C)n1ncc(NC(=O)c2ccc(B(O)O)cc2)c1C	584981528	YFAUSSYZOFLYHK-JTQLQIEISA-N	301.155	1.095	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCOc1ccc(C(=O)O)cc1	736401320	GRLZSCZKYWXWCS-UHFFFAOYSA-N	323.349	1.140	50	20	DDGD	
CSSCCNC(=O)N[C@@H]1CCCN(CCCO)C1	838587002	GXWGNLTWICEJAY-LLVKDONJSA-N	307.485	1.144	50	20	DDGD	
COC(=O)[C@H](NNC(=O)c1cnccn1)c1cccc(Cl)c1	735507894	QULVSPTWEHWTKU-GFCCVEGCSA-N	320.736	1.279	50	20	DDGD	
COCCC(=NNC(=O)c1cnccn1)c1ccc(F)cc1	734746999	UQIPSRSCRIFFNU-UHFFFAOYSA-N	302.309	1.786	50	20	DDGD	
CC(=NNC(=O)NC1CCCCC1)c1c(C)nc(O)nc1O	839390241	RATSPAFVKDRWCU-UHFFFAOYSA-N	307.354	1.552	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)COc1ccccc1O)c1ccsc1	737845227	YFKKMHJHSZYNCR-SNVBAGLBSA-N	320.370	1.784	50	20	DDGD	
C[C@H](NC(=O)[C@]1(C)C[C@H]1Br)C1=CCN(C)CC1	907282790	FLALAQDNRPKJIC-UFGOTCBOSA-N	301.228	1.927	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)C#CC3CC3)n[nH]2)cc1C	837504261	OPDDYMOUERNGRQ-UHFFFAOYSA-N	322.368	1.868	50	20	DDGD	
CC(C)(CC#N)CNC(=O)NNc1ccc(-n2cccn2)nn1	838754777	GMLQRGLGYVKFLI-UHFFFAOYSA-N	314.353	1.228	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)Oc1ccc(F)cc1)c1cnccn1	734747231	SSMVIEPAUNQICT-LLVKDONJSA-N	302.309	1.923	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(C[C@H]1CCOC1)C1CC1	732197021	AZVQBHBHKBCVJQ-QWHCGFSZSA-N	311.426	1.069	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC[C@@H](C)SC)c(F)c1	838526221	PNAPFBUUWZIZQQ-MRVPVSSYSA-N	315.370	1.990	50	20	DDGD	
CC(F)(F)CNC(=O)NNC(=O)c1ccc2c(c1)OCCO2	836482038	QWRCAGLOXTTXAV-UHFFFAOYSA-N	315.276	1.057	50	20	DDGD	
CSSCCNC(=O)N1CCC[C@H](NC(=O)N(C)C)C1	836448320	SBSPCLOAMILGJC-JTQLQIEISA-N	320.484	1.443	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1CCc2ccccc21	916363278	SODVNFHKRTVDOC-CYBMUJFWSA-N	301.390	1.421	50	20	DDGD	
CN(C)C(=O)NN=Cc1cccn1-c1ccc([N+](=O)[O-])cc1	745602108	LZZIBCKLBXGENZ-UHFFFAOYSA-N	301.306	1.991	50	20	DDGD	
CCOCCCC(=O)NNC(=O)c1cc(Cl)ccc1O	915639456	ZNTFHRBGQAXCCE-UHFFFAOYSA-N	300.742	1.623	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@H](CO)[C@@H]1CCCOC1	840522388	LJMDYOPNFQPJGF-GMTAPVOTSA-N	322.243	1.700	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)Cc1ccccc1OC)C(C)C	743637418	KKTOGRIWTCTDKK-ZDUSSCGKSA-N	323.393	1.239	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1cccc(C(=O)OC)c1OC	844267487	DDXJGPXASZAIPN-KTKRTIGZSA-N	304.302	1.864	50	20	DDGD	
CCc1cccc(OCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	843647633	OMKWOWIBOJXBOE-RISCZKNCSA-N	306.362	1.200	50	20	DDGD	
COCCN1[C@H]2CC[C@H]1CC(=NNC(=O)[C@H]1CCO[C@H]1C)C2	842548589	ACUQCSIWEFXDFS-MXAVVETBSA-N	309.410	1.157	50	20	DDGD	
C[C@@H](c1ccccc1)[C@](C)(O)C(=O)NNC(=O)c1cccn1C	747349688	KQMHNZWEFDHIIE-SJCJKPOMSA-N	315.373	1.341	50	20	DDGD	
Cn1cc(C(=O)NN=C2CCS(=O)(=O)C2)c2ccccc21	912806507	OWZHPDQPLDMDCG-UHFFFAOYSA-N	305.359	1.083	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)[C@H]1CCCS1(=O)=O	847600770	ZORWHLLADHHUAI-SNVBAGLBSA-N	320.317	1.308	50	20	DDGD	
CS(=O)(=O)N1CCC(=NNC(=O)NC2CCCCC2)CC1	747627327	GTYNUENINVXPPK-UHFFFAOYSA-N	316.427	1.030	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1nc2ccccc2nc1C1CC1	910150935	XGEVQYLNBXNVSV-JTQLQIEISA-N	300.362	1.465	50	20	DDGD	
CC(C)Cc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc(O)n1	843657059	OAYIIZJKSNTSAG-GXFFZTMASA-N	321.377	1.172	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)NCCc2ccccc2)n[nH]1	917413818	ZUXYMWREKMWDBP-UHFFFAOYSA-N	303.391	1.070	50	20	DDGD	
COc1ccc(C(C)=O)cc1CC(=O)NNC(=O)C1CCCC1	914842464	FJABVMPIKSUQAP-UHFFFAOYSA-N	318.373	1.778	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)c1ccncc1	747354295	IUYKIOAMBANTBM-UHFFFAOYSA-N	316.273	1.073	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)c1C	912452400	UCEKMUMPZTXLCA-LERXQTSPSA-N	302.330	1.450	50	20	DDGD	
O=C(NN=C1CCc2c1cccc2[N+](=O)[O-])[C@H]1CCCCO1	848412411	QGRIBTFTHRCOSH-CQSZACIVSA-N	303.318	1.930	50	20	DDGD	
CO[C@H](C=NNC(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CCOC1	841625758	LNSKPMNQBYNKAS-TVQRCGJNSA-N	323.305	1.068	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)c1ccccc1O)CC(F)(F)F	840434547	XRUZLPAICPMXSL-QMMMGPOBSA-N	319.283	1.925	50	20	DDGD	
Cn1cc([N+](=O)[O-])cc1C(=O)NNC(=O)c1cccc(Cl)n1	749564557	FETJIJHIXGHBFU-UHFFFAOYSA-N	323.696	1.057	50	20	DDGD	
COc1cc2c(cc1OC)C(=NNC(=O)NC(C)C)C(=O)N2	745009353	LTXPDHUFFBXSSU-UHFFFAOYSA-N	306.322	1.068	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCCC(F)(F)F	743701475	WUTPOVRQMPTACR-UHFFFAOYSA-N	303.284	1.902	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNc1ccc(CC(=O)OC)cc1	846377956	QJDHLAKOWIGHCQ-UHFFFAOYSA-N	322.361	1.435	50	20	DDGD	
COc1ccc(NC(=O)C(=O)N(C)CC(Cl)Cl)cc1	848081929	QZQBTVFHWYXRRO-UHFFFAOYSA-N	305.161	1.896	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H](C)C(=O)OC(C)(C)C	840241615	PEZHKEDBKOBBRF-LLVKDONJSA-N	306.362	1.734	50	20	DDGD	
C[C@@H](CCCN)NC(=O)NNC(=O)c1cccc2ccccc12	841999681	NSFNTYRPBPBLSX-LBPRGKRZSA-N	314.389	1.911	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1C	852395117	ZZUVXMOUDDEVPM-ZFWWWQNUSA-N	319.405	1.601	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cccc(-c2nc(=O)o[nH]2)c1	857493930	MQHLKVAYTBHKAR-UHFFFAOYSA-N	311.301	1.490	50	20	DDGD	
CCCC=NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1	755518873	GHKHKMTUSCSYLC-UHFFFAOYSA-N	311.407	1.518	50	20	DDGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCC(O)(CO)CC1	852499657	VLKKFNOLGWEXDQ-RZNTYIFUSA-N	303.318	1.278	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NN=Cc1ccoc1	853370932	BXSXYZRKQFAXLV-CHWSQXEVSA-N	302.334	1.631	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)N[C@@H]1CCN(C(C)=O)C1	856969898	XEHMZHYODWMSAW-CQSZACIVSA-N	304.394	1.804	50	20	DDGD	
C[C@](O)(CNC(=O)NNC(=O)C1CCCC1)c1ccccc1	753334448	HKXSJGHERNHAGA-INIZCTEOSA-N	305.378	1.415	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc(-c2ccncc2)on1	920858776	AZBYKPGDMQBDPJ-UHFFFAOYSA-N	301.306	1.091	50	20	DDGD	
CN1CCOc2ccc(NC(=O)NNC(=O)CC3CC3)cc21	756852213	ZBVMFYHZKRCOIU-UHFFFAOYSA-N	304.350	1.468	50	20	DDGD	
CC(C)[C@@H]1C[C@H](NC(=O)NNc2ncc(Cl)cn2)CCO1	856882411	TXGBCXYYXNIZPH-MNOVXSKESA-N	313.789	1.960	50	20	DDGD	
CN1CCC[C@H](CCNC(=O)NNc2ncc(Cl)cn2)C1	856915068	HEMOBLFNADSKTH-SNVBAGLBSA-N	312.805	1.488	50	20	DDGD	
CCCC[C@@H](CCC)CNC(=O)NNC(=O)[C@H]1CCC(=O)N1	858288504	IXOBRMDIGVIFDF-VXGBXAGGSA-N	312.414	1.202	50	20	DDGD	
Cc1nnc(CNC(=O)NC[C@@]2(C)C[C@@H]2Br)o1	856848915	DRSVPSUZFFTYAX-OIBJUYFYSA-N	303.160	1.351	50	20	DDGD	
C[C@@H]1COC[C@@H]1NC(=O)NNC(=O)Cc1ccc(Cl)cc1	925992794	SABBSJAOVKDROR-SKDRFNHKSA-N	311.769	1.248	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCc2ccco2)c(C(F)F)n1	755165431	RLOVWVFYSDASFD-UHFFFAOYSA-N	313.264	1.095	50	20	DDGD	
C[C@]1(CNC(=O)NNc2ncncc2F)C[C@H]1Br	856898277	ZSLPZTQGIMHLJP-GMSGAONNSA-N	318.150	1.415	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1C[C@H]2CC[C@@H](O)C[C@H]2C1	855335453	OWDLSYJMGFMUGG-VOMOJGLKSA-N	312.369	1.919	50	20	DDGD	
C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)NNC(=O)c1cn[nH]c1	858703989	BSQIMKMNBZNCIU-YPMHNXCESA-N	313.361	1.642	50	20	DDGD	
Cc1ccc2c(c1)C(=NNC(=O)C(=O)Nc1ccccn1)CC2	758390266	PLDXVSCDUUTYBD-UHFFFAOYSA-N	308.341	1.795	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1ccnn1CC1CC1	853278866	JHZAADNYOOAZKE-CQSZACIVSA-N	317.437	1.865	50	20	DDGD	
C#CCCCC(=O)NNC(=O)NC1(C(F)(F)F)CCOCC1	932309856	XQZPLIXDFCRCRG-UHFFFAOYSA-N	321.299	1.232	50	20	DDGD	
C[C@H](NC(=O)C1CCCC1)C(=O)NN=c1cc[nH]cc1Cl	757420230	VGISKEWGCAJLFY-VIFPVBQESA-N	310.785	1.295	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2CCSC2)c1	761783998	LUELWDGOBVQRHQ-SECBINFHSA-N	310.375	1.218	50	20	DDGD	
COCCOc1ncccc1C(=O)NNc1cccc(C)n1	862523553	IRQZNVFFMXXRSL-UHFFFAOYSA-N	302.334	1.567	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)C3=COCC3)n[nH]2)cc1	762956295	RBIVOBVJFNWNIC-UHFFFAOYSA-N	312.329	1.450	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCCC[C@@H]1c1ccccc1	867422234	WBLWZUTXADHHMT-QGZVFWFLSA-N	309.174	1.734	50	20	DDGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)c1cncnc1	760618225	AQZZFXWIVDZUCO-UHFFFAOYSA-N	322.777	1.683	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccnc1)c1cc(C)ccc1C	763191784	ANXAFJTVFKKIMH-UHFFFAOYSA-N	324.384	1.969	50	20	DDGD	
COCCOCc1ccc(NC(=O)NNc2ccncn2)cc1	861567824	POIVDSKVKYOQID-UHFFFAOYSA-N	317.349	1.788	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1Cl	763437490	DSQJAUVZUVLPBL-UHFFFAOYSA-N	304.133	1.489	50	20	DDGD	
CC[C@]1(C(=O)NNc2ccc(C#N)c(Cl)c2)CCNC1=O	867378583	YHAFLERKRFBFEN-AWEZNQCLSA-N	306.753	1.571	50	20	DDGD	
CN1CCCc2cc(CNCc3ccccc3B(O)O)ccc21	863889282	XHIQIQMOXSLJEE-UHFFFAOYSA-N	310.206	1.039	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2c(C3CC3)nc3sccn23)N1	863148204	WLQYLLVPGWIYNW-VIFPVBQESA-N	317.374	1.002	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)CC(C)(C)CCl)CC[C@H]1C(=O)O	864499939	IGGOCDARRRUNEQ-VHSXEESVSA-N	311.831	1.624	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1F	763817076	YZVVFUYEXXODNZ-UHFFFAOYSA-N	301.705	1.221	50	20	DDGD	
O=C(CN1CCCNC1=O)NNc1cccc(F)c1Cl	862505711	ADLZESPUHPPDLW-UHFFFAOYSA-N	300.721	1.338	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)Nc1ccc2ccccc2c1	764339693	XRGDEYPFQAXLLQ-UHFFFAOYSA-N	311.341	1.726	50	20	DDGD	
CC(C)(O)[C@@H](Oc1ccccc1)C(=O)NNc1ccc(F)cn1	874648514	RYAAIFHDTCOPNV-AWEZNQCLSA-N	319.336	1.882	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)c1cc(Cl)ccc1O)C(C)C	771716505	GDGIXYVCXGDCTM-NSHDSACASA-N	300.742	1.478	50	20	DDGD	
CCn1cc(-c2nn(C)cc2C(=O)NNC(=O)C(C)(C)C)cn1	778501798	SSVUGPSDEFFVOX-UHFFFAOYSA-N	318.381	1.111	50	20	DDGD	
CN(C)c1cnc(C(=O)NNc2ccc3ccccc3n2)cn1	779677428	YDCQVHAVUFVMPR-UHFFFAOYSA-N	308.345	1.848	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)[C@@H](C)[C@H](C)S(C)(=O)=O	1118023865	VGQKCZGACJYWHE-UWVGGRQHSA-N	302.371	1.646	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1c[nH]c2ccc(F)cc12	772191235	PECMKWDSLRFYGP-MRVPVSSYSA-N	321.308	1.410	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NCC(F)F	879759683	XDJDTKBSOMQAPK-UHFFFAOYSA-N	301.293	1.223	50	20	DDGD	
O=C(CSC(F)F)NNC(=O)c1n[nH]c2c1CCCC2	1117743961	PZTSFSFIXJTSBS-UHFFFAOYSA-N	304.322	1.005	50	20	DDGD	
CC(=NNC(=O)Cn1nc(C)cc1C)c1cccc(O)c1F	872334710	KGGLCHGPDZYHSL-UHFFFAOYSA-N	304.325	1.885	50	20	DDGD	
COC(=O)[C@@H](C)Cc1ccc(NC(=O)NN(C)C(=O)OC)cc1	879194683	HQWKQONJLMFULC-JTQLQIEISA-N	323.349	1.773	50	20	DDGD	
O=C(NNc1c(F)cccc1Cl)[C@@H]1CC(=O)N(C2CC2)C1	770198141	JZPUNZYNRKYLFO-MRVPVSSYSA-N	311.744	1.933	50	20	DDGD	
O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1O)N[C@@H]1C=CCCC1	1116256201	BNFYDAORTJFGGG-SECBINFHSA-N	320.305	1.353	50	20	DDGD	
Cc1cc(=NNC(=O)NCC2CCN(C3CC3)CC2)cc[nH]1	875537009	PQGCNXNHRZVWRK-UHFFFAOYSA-N	303.410	1.312	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CCC(=O)c1ccccc1	771867694	NWVIBADKXOEBDA-NSHDSACASA-N	320.345	1.139	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CNc1c(C)cccc1C	772153061	FMCASRCMHNGWSP-GFCCVEGCSA-N	321.377	1.204	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNc1ccnc(Br)c1	771551150	ABQKJMMOAIEJEZ-CBAPKCEASA-N	300.156	1.712	50	20	DDGD	
C=CCC[C@H](NCC(=O)NNC(=O)C1CC1)c1ccccc1	775465360	XDVGTITUOFRRFO-HNNXBMFYSA-N	301.390	1.841	50	20	DDGD	
CCOc1cccc([C@@H](C)N[C@@H](C)C(=O)NNC(=O)CC)c1	775209570	CNFXNADWVIROOE-NEPJUHHUSA-N	307.394	1.682	50	20	DDGD	
CN(C)[C@H](CNS(=O)(=O)CCCCl)Cc1ccccc1	881748188	WIELHCMGXXAJNC-AWEZNQCLSA-N	318.870	1.708	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1ccn(-c2ccccc2)n1	775459113	RQIOCWNDQZAMHY-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
CSc1ccccc1CC(=O)NNC(=O)c1c[nH]nc1C	777390340	YWVDOJXXESYPTH-UHFFFAOYSA-N	304.375	1.444	50	20	DDGD	
O=C1Nc2ccccc2CC[C@H]1NS(=O)(=O)CCCCl	882334126	DSZBHFBOGMCCOJ-GFCCVEGCSA-N	316.810	1.488	50	20	DDGD	
COC(=O)[C@H](CNS(=O)(=O)CBr)CC(C)C	782456294	YIPYCFJSVFLYDW-QMMMGPOBSA-N	316.217	1.094	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2ccnc(F)c2)c(F)c1	784846702	GHLPSRVLJZPCIW-UHFFFAOYSA-N	317.255	1.313	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)C1CCS(=O)(=O)CC1	885144466	DMGOIYLDAVPGGB-UHFFFAOYSA-N	304.318	1.233	50	20	DDGD	
Cc1ccc(CNC(=O)NNc2c(F)cccc2F)c(=O)n1C	787345107	IPEOZNKBNWBBGV-UHFFFAOYSA-N	322.315	1.798	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2nc(-c3cccnc3)no2)cc1O	785408016	HHVLQFLHNFMDKQ-UHFFFAOYSA-N	322.284	1.466	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCc1ccccc1C(=O)OC	886296506	QMGWQDMQFBEHST-ACCUITESSA-N	302.330	1.576	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cn(-c2cccc(Cl)c2)nn1	780482547	FJCDIPPFMLJPIK-UHFFFAOYSA-N	322.756	1.275	50	20	DDGD	
Cn1ncc(NC(=O)NNC(=O)C2CCCC2)c1C(F)(F)F	782097724	DMIOTHJOYQZVQR-UHFFFAOYSA-N	319.287	1.782	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccc(OC)nc2)c1	780790030	QQOWDVROOVOOAJ-UHFFFAOYSA-N	301.302	1.634	50	20	DDGD	
Cn1ccc(CC(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])n1	782571601	DZLZNAJAOUXLBN-UHFFFAOYSA-N	309.713	1.668	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(Cl)cc1O	892947917	KNROABTZCCBJQJ-AAEUAGOBSA-N	324.764	1.788	50	20	DDGD	
O=C(NNc1cccnn1)C(=O)Nc1cccc2ccsc12	784858778	VWQXJRBXGKZVGO-UHFFFAOYSA-N	313.342	1.773	50	20	DDGD	
Cc1ccncc1NC(=O)C(=O)NNc1cc(Cl)ccn1	784856525	PQIXQLGTOGIQTH-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
C[C@H]1CCCC(=NNC(=O)CNC(=O)c2cccnc2)[C@@H]1C	781125904	WCNHGBKZHHISKG-NWDGAFQWSA-N	302.378	1.740	50	20	DDGD	
O=C(NCCOC1CCSCC1)NNC(=O)C1CCC1	899071312	RKZJBSSASAIUPE-UHFFFAOYSA-N	301.412	1.029	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccn(-c2cc(F)cc(F)c2)n1	895523559	BYZVICZSZKMUES-UHFFFAOYSA-N	322.315	1.958	50	20	DDGD	
CCOCC(=O)NN[C@H](Cc1ccc(Cl)cc1)C(=O)OC	783568836	DXDAKGDSTMTMKW-GFCCVEGCSA-N	314.769	1.081	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@H]1CC(c2ccccc2)=NO1	899991952	HGBGWSBZAQRXAW-GFCCVEGCSA-N	320.418	1.473	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC(=O)N(C)C[C@@H]1C	782879562	CWDUARZZBXZDRP-VIFPVBQESA-N	312.801	1.041	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1CCN(CC(F)(F)F)C1	792083491	NUOLCOXNXOBGDB-SECBINFHSA-N	310.320	1.001	50	20	DDGD	
COCCCC(=NNC(=O)C(=O)NC1CC1)c1ccc(F)cc1	799475131	QFZCURIYKGYJPA-UHFFFAOYSA-N	321.352	1.351	50	20	DDGD	
CSSCCNC(=O)N1CCN(C(=O)C(C)(C)C)CC1	790877846	ITRITKJNQBTVDX-UHFFFAOYSA-N	319.496	1.898	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cc2ccc3c[nH]nc3c2)cc1	793288472	FYHCLODSPQKZRO-UHFFFAOYSA-N	319.324	1.438	50	20	DDGD	
CCOC(=O)COc1ccc(C=NNC(=O)C2CCC2)cc1	1319012765	UMUTUXQGLZCYMR-UHFFFAOYSA-N	304.346	1.879	50	20	DDGD	
Cc1cccc(OCCC(=O)NNc2nncc(N)c2Cl)c1	1319217960	AYDPWEBARVFPSF-UHFFFAOYSA-N	321.768	1.933	50	20	DDGD	
Cc1cc(NNC(=O)CNC(=O)c2cc3ccccc3[nH]2)ncn1	1322140518	HOLWCAFAAQZOSV-UHFFFAOYSA-N	324.344	1.139	50	20	DDGD	
CC[C@H](C)n1nc(NC(=O)C(=O)NNc2cccnn2)cc1C	1321668034	SCNCJNYTYUMSMB-VIFPVBQESA-N	317.353	1.034	50	20	DDGD	
N#Cc1cccc(C(=O)NNc2cncc(Br)c2)n1	1323956365	WRFLKKBIPDQYAG-UHFFFAOYSA-N	318.134	1.868	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)NCCCC2CC2)C[C@H]1Br	1331079680	XPXGITQAPVSCLU-MFKMUULPSA-N	317.227	1.583	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccnc(Cc2ccccc2)n1	1349674213	RLMVDYBQDZNVRB-UHFFFAOYSA-N	315.377	1.682	50	20	DDGD	
COc1cccc(C2(C(=O)NNC(=S)NC(C)C)CC2)c1	1345355090	WVOYEURJPJDBAS-UHFFFAOYSA-N	307.419	1.631	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@]2(F)CCOC2)c1F	1261361350	PEWOBXGSAFVWHX-ZDUSSCGKSA-N	300.261	1.184	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)N[C@@H](C)c1nnnn1C	1349233162	CLYLPEIHCALOPI-QMMMGPOBSA-N	309.761	1.559	50	20	DDGD	
O=C(NNC(=O)C1SCCS1)c1ccccc1Cl	1341340791	CMMDGBUMXBHWRD-UHFFFAOYSA-N	302.808	1.907	50	20	DDGD	
O=C(NNC(=O)N1CC[C@@H](C2CCCCC2)C1)c1cn[nH]c1	1351352054	HVGMPPMSUGPFLU-GFCCVEGCSA-N	305.382	1.666	50	20	DDGD	
C=C[C@](C)(CC)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1602791102	ZIRUGIWAULHBKT-OAHLLOKOSA-N	314.349	1.230	50	20	DDGD	
C[C@](CNC(=O)NNc1ccncn1)(C(=O)O)c1ccccc1	1609746793	QULRHMOXUFRANP-OAHLLOKOSA-N	315.333	1.145	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1ccc(C(=O)O)o1	1601292226	QMFSJHRKSZTDRF-UHFFFAOYSA-N	302.286	1.372	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NN[C@H](C(=O)O)C2CC2)c1C	1600543017	DOLNPFVPOFCKHI-FZMZJTMJSA-N	306.362	1.555	50	20	DDGD	
Cc1c(NC(=O)[C@]2(C)C[C@H]2Br)cnn1CC(=O)O	1607541135	UVUPAZDBFNVRDF-LDYMZIIASA-N	316.155	1.388	50	20	DDGD	
O=C(O)[C@@H]1CCCN1Cc1cn(/C=C\CBr)nn1	1605998866	OTKPUFXRMIQKNL-RILPQGNRSA-N	315.171	1.193	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@H]2CCc3nc[nH]c3C2)c1F	1608936092	XZJAJDDXYJROFO-QMMMGPOBSA-N	318.308	1.495	50	20	DDGD	
O=C(NCCc1cnccn1)NNc1cccc(C(=O)O)c1	1601515428	NBPFKRGHDAFQHD-UHFFFAOYSA-N	301.306	1.044	50	20	DDGD	
Cc1c[nH]ccc1=NC(=O)NNc1ccc(C(=O)O)cc1F	1600632254	ZDNLAARZIAOBGZ-UHFFFAOYSA-N	304.281	1.798	50	20	DDGD	
CN(CCC(=O)NNc1ccc(C(=O)O)cn1)c1ccncc1	1610115479	DZBWILDUWMCHJB-UHFFFAOYSA-N	315.333	1.144	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H](N)C(C)C)c1C	1578877639	DZMYSAAZXHQXSG-LBPRGKRZSA-N	308.382	1.391	50	20	DDGD	
COC/C=C\C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1579749720	DPLOCTHXCZCBOO-IHWYPQMZSA-N	308.729	1.166	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@H]2CCCNCC2)cc1	1578820839	KRXPMBZZNUSDAQ-ZDUSSCGKSA-N	320.393	1.170	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H](C(=O)O)C2CC2)c1	1588439484	OQOKTMLFBXSUDM-LBPRGKRZSA-N	317.370	1.096	50	20	DDGD	
C=C(CBr)CN1C[C@H](C(=O)OC)CC[C@H]1C(=O)O	1588605350	HTODWHGLPCWYQT-ZJUUUORDSA-N	320.183	1.276	50	20	DDGD	
NNC(=O)c1ccc2[nH]cc(I)c2c1	1580358447	HYMARDUUPXWQKD-UHFFFAOYSA-N	301.087	1.376	50	20	DDGD	
C[C@H](NNC(=O)c1csc(-c2nn[nH]n2)c1)C(F)(F)F	1589977436	YXJSATIEMLHVQD-BYPYZUCNSA-N	306.273	1.113	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H](C)S)C1	1846369881	IPHYOSBXWQMZGL-VHSXEESVSA-N	304.843	1.526	50	20	DDGD	
C/C=C/C(=O)NNc1ccc(-c2nn[nH]n2)cc1C(F)(F)F	1590351466	FXMLCMDQGCZNFC-NSCUHMNNSA-N	312.255	1.905	50	20	DDGD	
CN1CCCC[C@H]1CCC(=O)NNc1ncccc1C(=O)O	1593780143	NTUVFDNAFXDKCS-NSHDSACASA-N	306.366	1.487	50	20	DDGD	
O=C(Cc1ccccc1F)NNc1ccc(-c2nn[nH]n2)cn1	1592924125	JSABUZFIVZXURF-UHFFFAOYSA-N	313.296	1.087	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@@H]1CC[C@@H]2CCCCN21	1595261840	KEWRSDYVMDOULT-JQWIXIFHSA-N	304.350	1.240	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NN=Cc1cc(C(=O)O)ccc1OC	1776101938	BZQNYWIPBHSZLS-YPMHNXCESA-N	306.318	1.269	50	20	DDGD	
COc1ccc(C(=O)O)cc1C=NNC(=O)Cc1cc(C)[nH]n1	1776028557	KSCNBKKQBIDRET-UHFFFAOYSA-N	316.317	1.118	50	20	DDGD	
COCCCS(=O)(=O)/C(C#N)=C\c1ccc(CC(=O)O)cc1	1777206926	DMHNEYYLHQNPFI-ZROIWOOFSA-N	323.370	1.629	50	20	DDGD	
O=C(O)COc1ccc(C=NNC(=O)c2nccs2)cc1	1776109589	QLXBEMIXNIEOOI-UHFFFAOYSA-N	305.315	1.370	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)Cc2cc(C)n[nH]2)c1	17514191	AQQUZAJZJYZZNW-UHFFFAOYSA-N	303.391	1.587	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H]2Cc3cc(F)ccc3O2)n1	151027822	SGSBNNFCLUGFKS-CYBMUJFWSA-N	302.309	1.679	50	20	DDGD	
CCOc1ccccc1C(=O)NCC(=O)NNc1ccccn1	152748717	CEULJDRDPIIPKU-UHFFFAOYSA-N	314.345	1.353	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2ccc(F)cc2Br)N1	153782663	AHBIBUJXZASNLR-VIFPVBQESA-N	316.130	1.310	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@H]1CCN(c2ccc(C)cc2)C1=O	157509569	VFDWVQISNGGQPJ-HVCHUGMYSA-N	313.357	1.661	50	20	DDGD	
CCC1(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CCCC1	154626985	ISRUQAXNCVHQDE-AWEZNQCLSA-N	318.373	1.944	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)c2ccc(CCl)cc2)CC[C@H]1O	311346252	CDBGWJTUXKDNFB-GXFFZTMASA-N	303.811	1.817	50	20	DDGD	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1cnn(C)c1	8146118	MZLHOKGCILVDKT-UHFFFAOYSA-N	308.725	1.157	50	20	DDGD	
COC[C@H](C)NC(=S)NNC(=O)c1ccc2ccccc2c1	8356614	HCCYVCUHZXDFOT-NSHDSACASA-N	317.414	1.984	50	20	DDGD	
CC(C)(C)CCCCNC(=O)NNC(=O)C(=O)N1CCCC1	105253307	KALAGPVKJCZXMR-UHFFFAOYSA-N	312.414	1.156	50	20	DDGD	
O=C(NNC(=O)c1cccc2ncccc12)c1cccnc1O	106814456	OQBHSMAITLRRIP-UHFFFAOYSA-N	308.297	1.410	50	20	DDGD	
CN(C[C@@H]1CCCOC1)C(=O)NNC(=O)c1ccc(C#N)cc1	107741570	FWQQKDZGRUVZJX-ZDUSSCGKSA-N	316.361	1.271	50	20	DDGD	
CC(C)(C(=O)NNC(=O)C(=O)NC1CC1)c1ccc(Cl)cc1	55040910	TYBBVWXKBYCNPS-UHFFFAOYSA-N	323.780	1.044	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)Cc2cccnc2)CCS1	176392988	TYYKVNHJWARXLQ-LBPRGKRZSA-N	308.407	1.192	50	20	DDGD	
CC(=O)N[C@H](CC(=O)NNC(=O)NCC1CC1)c1cccs1	68455679	SLTPGLVHFACKRE-LLVKDONJSA-N	324.406	1.056	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(Cc2cccc(O)c2)CC1	178971103	NHQGRWQPSNGFGJ-FYWRMAATSA-N	315.373	1.480	50	20	DDGD	
Cc1cc(NNC(=O)Cc2c(C)nn(C(F)F)c2C)nc(C)n1	128923404	NKYGJTWBXOVDMH-UHFFFAOYSA-N	324.335	1.988	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)n1cncn1	29755392	LJAGBXPAXGSWFO-HXTFMFRQSA-N	317.393	1.203	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N1CC[C@H](C)[C@@H]1C	176993432	WOZTUXQCKIYXDV-JQWIXIFHSA-N	315.377	1.727	50	20	DDGD	
C[C@H](Oc1ccc(Br)cc1)C(=O)NN(C)C(N)=O	181059179	ZIPQJACHJLWMDS-ZETCQYMHSA-N	316.155	1.258	50	20	DDGD	
COCc1cccc(C(=O)NNC(=O)c2ccc(C#N)cc2)c1	129157357	ISCNDPPCWLVOKV-UHFFFAOYSA-N	309.325	1.779	50	20	DDGD	
COCc1nc(C(=O)NNC(=O)c2ccccc2F)cs1	65048609	CFPYPBWJZBAAFK-UHFFFAOYSA-N	309.322	1.503	50	20	DDGD	
N#Cc1ncn(CC(=O)NNc2cccc(C(F)(F)F)c2)n1	178828309	VLHGRIIKGHNKTE-UHFFFAOYSA-N	310.239	1.312	50	20	DDGD	
CCC(=O)N1CCC[C@@H](C(=O)NNc2cc(C)nc(C)n2)C1	128938526	OXXHDADLBPIQGS-GFCCVEGCSA-N	305.382	1.185	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1ccc2c(c1)CCO2	183665440	JVGQGKAWXCBBQD-UHFFFAOYSA-N	300.318	1.427	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnn(Cc2ccccc2)c1CC	122895092	RSIYOEWLIGCIAB-UHFFFAOYSA-N	315.377	1.458	50	20	DDGD	
C=CCCC[C@H](C)NC(=O)NNC(=O)Cn1nc(C)cc1C	181099514	TZUPVUZGKZDIFY-NSHDSACASA-N	307.398	1.575	50	20	DDGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)C1=COCCO1	124693946	RAXLCIXHGVHNFW-UHFFFAOYSA-N	318.251	1.959	50	20	DDGD	
CCC(CC)n1nc(C(=O)NNC(=O)N2CCOCC2)cc1C	182024837	OEWHRQAMCPVKIU-UHFFFAOYSA-N	323.397	1.239	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2[C@H]3CCO[C@@H]3C23CCC3)n1	123321339	HSTMKFZCFRORGP-AGIUHOORSA-N	317.393	1.677	50	20	DDGD	
Cc1ccc(C)c(NC(=O)C(=O)NNC(=O)c2ccccc2)c1	181983860	DMMIYCLHGHFYDY-UHFFFAOYSA-N	311.341	1.703	50	20	DDGD	
COc1ccnc(NNC(=O)C[C@@](C)(O)c2ccccc2)n1	181948319	AKINIQWIRFVDEQ-OAHLLOKOSA-N	302.334	1.226	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccn2C)c(C)c1	123326775	GLBPJDFYHMYXBS-UHFFFAOYSA-N	314.345	1.042	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCC[C@@](C)(O)c1ccccc1	186632541	XUWQSMMJOYGZCU-MRXNPFEDSA-N	307.394	1.661	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1ccc(F)cc1O	123607423	OJMZZHFKXNETMK-UHFFFAOYSA-N	302.305	1.925	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)OC(C)(C)C)c2c(C)nn(C)c2n1	73462461	BNYUSKMLKPCVOI-UHFFFAOYSA-N	319.365	1.755	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCc2ccoc2)c1	47089033	KLTAMPKKHCDWMY-UHFFFAOYSA-N	303.318	1.497	50	20	DDGD	
CN1CCO[C@H](C(=O)NNc2ncc(Cl)cc2Cl)C1	133099098	RGFCJDIUXFYGEZ-VIFPVBQESA-N	305.165	1.162	50	20	DDGD	
C[C@H](CS(C)(=O)=O)C(=O)NNc1cc(F)c(F)c(F)c1	80100208	KVDBSFGBFIXDSK-ZCFIWIBFSA-N	310.297	1.228	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2ccc(C)c(C)c2)nc(C)n1	130340939	QXQOEWIVQFUGIR-UHFFFAOYSA-N	313.361	1.792	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)C(=O)c1ccc2c(c1)CCC2	194190491	PYDVWSLCYWPLRP-UHFFFAOYSA-N	309.325	1.214	50	20	DDGD	
Cc1[nH]c(=S)sc1CC(=O)NNC(=O)c1cccn1C	136030201	VQVGGEKJLVETCR-UHFFFAOYSA-N	310.404	1.456	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)NC1CC1)C(=O)c1cccc(F)c1	81296013	XEKDBWKDRRXVQX-VIFPVBQESA-N	307.325	1.527	50	20	DDGD	
C=C[C@](C)(CC)C(=O)NNC(=O)CNc1ccccc1OC	134921405	UEZBOEAZOJXIKN-MRXNPFEDSA-N	305.378	1.857	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1ccc(-n2ccnc2)cc1	194619190	YJNAVBTXVTYKIL-UHFFFAOYSA-N	315.377	1.749	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](C)[C@@H](N)c2ccccc2)n1	237304847	SYFCFCFJPIKRAB-SMDDNHRTSA-N	315.377	1.573	50	20	DDGD	
NC(=O)c1ccc(NC(=O)NNC(=O)c2ccccc2)cc1F	92018222	FBGNTUXOOHECFI-UHFFFAOYSA-N	316.292	1.391	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	92504546	BASARHSDWOZORC-UHFFFAOYSA-N	319.321	1.656	50	20	DDGD	
CNC(=O)NNC(=O)c1c(C)nc(C(C)(C)C)nc1SC	268465582	IFMVQZVCGCLQKT-UHFFFAOYSA-N	311.411	1.378	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)CC1=CCCCC1	264574274	STYKNEGVXSWHGV-UHFFFAOYSA-N	304.346	1.809	50	20	DDGD	
CC(C)(C)c1nnc(CNC(=O)NNc2ncccn2)s1	268335161	NTMKKAOSYJAGEZ-UHFFFAOYSA-N	307.383	1.452	50	20	DDGD	
O=C(C[C@@H](O)c1cccc(F)c1)NNC(=O)NC1CCCC1	271841293	UJVHQMPKKVSUKS-CYBMUJFWSA-N	309.341	1.522	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(OC(C)C)cc1	274052813	JJKNPOIAYIUQFX-NSHDSACASA-N	321.377	1.606	50	20	DDGD	
COCCC[C@H](C)C(=O)NNC(=O)CNc1ccc(OC)cc1	272263167	XIWKKYITBNYIKP-LBPRGKRZSA-N	323.393	1.317	50	20	DDGD	
Cc1c(NC(=O)C(=O)NNC(=O)C(C)(C)C)cccc1[N+](=O)[O-]	273785814	WPLWNGMZZCEQQH-UHFFFAOYSA-N	322.321	1.035	50	20	DDGD	
CCCN(CC)c1ccc(C(=O)NN(C)C(=O)NCC)cn1	272697087	SCXFKGSTYFDHNZ-UHFFFAOYSA-N	307.398	1.624	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Cc1cc(F)cc2c1OCOC2	279024701	VGJWPJXMEZPKOP-UHFFFAOYSA-N	310.325	1.428	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(N2CCOC2=O)cc1	273505662	RTTNNBGZMVEVMP-SNVBAGLBSA-N	320.349	1.842	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)CC[C@H](C)OC	272777119	XFVGTGOHXXILTC-LBPRGKRZSA-N	324.377	1.427	50	20	DDGD	
O=C1CCC[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)N1	270454607	FPHYIADPINENJB-SNVBAGLBSA-N	312.713	1.360	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H]1C(=O)NNc1cccc(C(F)(F)F)n1	287685221	PVHZPEBLVSYXAK-HTQZYQBOSA-N	317.267	1.743	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCC(Cn2cncn2)CC1	376232981	QPZNUBYXXNNYJV-UHFFFAOYSA-N	320.846	1.339	50	20	DDGD	
Cc1cccc(C)c1NCC(=O)NNC(=O)NCC(F)(F)F	281158753	HYORQOHJJSNHBE-UHFFFAOYSA-N	318.299	1.608	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cc2ccccc2c(=O)o1	289092578	MIPFWRNQONRBHZ-UHFFFAOYSA-N	302.330	1.990	50	20	DDGD	
CSCCCCCNC(=O)NNC(=O)c1cccc(C)n1	280208266	ICHLRBDJBPOWOF-UHFFFAOYSA-N	310.423	1.867	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@](C)(CC)OC	280959958	KLGDJKBXUSAUCT-INIZCTEOSA-N	324.377	1.427	50	20	DDGD	
Cc1cc(F)cc(C)c1S(=O)(=O)NNC(=O)NC(C)C	282121417	ZTVSNWBBAHOZLE-UHFFFAOYSA-N	303.359	1.343	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@@](C)(C(N)=O)C1	280230997	ZDISWZIMYRYAHH-CQSZACIVSA-N	312.801	1.076	50	20	DDGD	
CN(C)c1cccnc1CNC(=O)NNC(=O)OC(C)(C)C	291857114	HAJYYKUZBVAZDV-UHFFFAOYSA-N	309.370	1.387	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1O	299287936	YMOLSNJTHZBOJC-SECBINFHSA-N	312.753	1.788	50	20	DDGD	
CC(C)(C)[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccnnc1	297529387	ZBGPOHIKIPWNDY-QWRGUYRKSA-N	307.354	1.081	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NC(C)C)cnn1Cc1ccccc1	299302684	OBJMEBWEPMKYQB-UHFFFAOYSA-N	315.377	1.592	50	20	DDGD	
Cc1onc(-c2ccccn2)c1C(=O)NNC(=O)CC1CC1	294330228	YVDOCKZQWSBJBA-UHFFFAOYSA-N	300.318	1.606	50	20	DDGD	
CC1(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)CCOCC1	802002773	BMORTIWZGVINKL-UHFFFAOYSA-N	313.304	1.934	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)[C@H]1CCc2nnn(C)c2C1	291514469	IOQNQGXWOVBAOZ-ZDUSSCGKSA-N	313.405	1.934	50	20	DDGD	
CC(C)(C)n1cnc(C(=O)NNC(=O)c2ccc(Cl)nc2)n1	292504852	GAKXEBCSCMMEEF-UHFFFAOYSA-N	322.756	1.156	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl	296960575	CPPQJXGNPXXFCV-UHFFFAOYSA-N	314.729	1.863	50	20	DDGD	
CC(=O)NNC(=O)c1cc(Br)cc(N(C)C)c1	292496070	NBLPHBDJDGLEAF-UHFFFAOYSA-N	300.156	1.296	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@H]1CCOC[C@H]1C	804869273	XWNRNVPXTPOHAF-CHWSQXEVSA-N	305.378	1.612	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H](O)CCSC	294410256	DMANGUHKMRVNDA-VIFPVBQESA-N	301.320	1.623	50	20	DDGD	
O=C(NNc1ncccc1F)C(=O)Nc1c(F)cccc1F	807302551	ZIGQTXMLCFKFJB-UHFFFAOYSA-N	310.235	1.581	50	20	DDGD	
CSC1(C=NNC(=O)CNC(=O)c2cccs2)CCC1	800811926	OCGOMMRRGJBNMG-UHFFFAOYSA-N	311.432	1.866	50	20	DDGD	
COCCOCc1ccc(C(=O)NNc2cccnn2)cc1	291756094	UCUKQJRBGGYWOF-UHFFFAOYSA-N	302.334	1.397	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)nc1O	806365133	OMNIPRQGLIXCCB-GRYCIOLGSA-N	305.382	1.935	50	20	DDGD	
COCCc1ccc(S(=O)(=O)NNC(=O)CC(C)C)cc1	298327090	NFSIUMZVPCOKOM-UHFFFAOYSA-N	314.407	1.231	50	20	DDGD	
CCn1cc(CNC(=O)NNC(=O)c2ccc(Cl)cc2)cn1	807519197	ZEHUSYCHVTWNGC-UHFFFAOYSA-N	321.768	1.701	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@H](C)[C@H](CN)C1	818009602	WNEAOBGPHNZOGW-GXFFZTMASA-N	312.845	1.796	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNc1ccccc1S(C)(=O)=O	812507203	MBQDICSIMKOJRP-MNOVXSKESA-N	314.407	1.452	50	20	DDGD	
O=C(CCCn1ccccc1=O)NNc1cccc(Cl)n1	817005443	UFDYXHBGQHLZRZ-UHFFFAOYSA-N	306.753	1.820	50	20	DDGD	
COc1cc(C=NNC(=O)c2cnccn2)ccc1OCC#N	818286001	MUVGDANXGZHXGA-UHFFFAOYSA-N	311.301	1.151	50	20	DDGD	
Cc1c(CC(=O)NN=c2sc3ccccc3n2C)cnn1C	814269172	SBUAVIYCSUOBSW-UHFFFAOYSA-N	315.402	1.456	50	20	DDGD	
CN(NC(=O)CCC(=O)N1CCOc2ccccc21)C1CC1	819647883	SUHKEDKTRXKSNA-UHFFFAOYSA-N	303.362	1.318	50	20	DDGD	
Cn1ncc(C=NNC(=O)CCc2ccccc2O)c1Cl	814840199	FWUPHLWZTSTJPP-UHFFFAOYSA-N	306.753	1.862	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1cccc(NC(C)=O)c1	819161875	LMGVZXJCXUMOAY-UHFFFAOYSA-N	306.366	1.318	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CC1(F)F	817433667	CRGPXTSNCQZDJP-CQSZACIVSA-N	320.299	1.679	50	20	DDGD	
COCCCNC(=O)NN=Cc1ncc(Br)s1	814819470	MASRBBWXLMDKOL-UHFFFAOYSA-N	321.200	1.575	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1cccc(C(=O)O)c1	814763903	NMTAOAOFTYCESO-ZDUSSCGKSA-N	317.389	1.957	50	20	DDGD	
CCCC(=NNC(=O)C(=O)Nc1ccccn1)c1cccnc1	814869856	YKVBAPPBRNSRJD-UHFFFAOYSA-N	311.345	1.736	50	20	DDGD	
CC[C@@H](C(=O)Nc1cccc(NC(=O)NN(C)C)c1)C(=O)OC	816407096	NKSQZZOSWOITDQ-LBPRGKRZSA-N	322.365	1.422	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H](NC(C)=O)C(C)C)ccc1C	816688013	YWKNOKFEROHLSK-CQSZACIVSA-N	321.377	1.385	50	20	DDGD	
COCCC(COC)=NNC(=O)CNc1cccc(OC)c1	812225439	ZHXJQNNWIYSJAL-UHFFFAOYSA-N	309.366	1.262	50	20	DDGD	
CC(F)(F)C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1	815887590	LVAVLZBBOZCFER-UHFFFAOYSA-N	300.290	1.554	50	20	DDGD	
Cc1cc(C(=O)NNc2ccnc(N(C)C)n2)nn1C(C)C	825988367	YDXVAGWRJDPQKK-UHFFFAOYSA-N	303.370	1.385	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)Nc1ccc(C(=O)O)cc1	491817660	YZSFQMNUZDOFIM-UHFFFAOYSA-N	311.301	1.370	50	20	DDGD	
N#C[C@H]1CC[C@@H](NC(=O)NNC(=O)c2cc3c(s2)CCC3)C1	823886184	MMIHWXBNHPSNHK-GXSJLCMTSA-N	318.402	1.873	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NOCC2CCC2)c2ccccc21	824022767	TVTIWDKRQUDIQC-UHFFFAOYSA-N	316.361	1.854	50	20	DDGD	
CCOCCOCc1cccc(CNS(=O)(=O)CCl)c1	829985540	SUUKNWMPWJJLRS-UHFFFAOYSA-N	321.826	1.855	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cscn2)cc1OC	728455562	VWGVGPLJOVVANQ-UHFFFAOYSA-N	307.331	1.235	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccc(C(F)(F)F)[nH]2)n1	825988060	RMJPZEIDYJNLED-UHFFFAOYSA-N	314.271	1.646	50	20	DDGD	
C=C[C@@H](CC)CC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	825347288	LMESYJIMKITKPA-LBPRGKRZSA-N	311.426	1.679	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(S(C)(=O)=O)ccc1C	494556762	YRKCYVDXSFBQKT-UHFFFAOYSA-N	315.351	1.181	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(Oc2cccnc2)nc1	496274447	KTUDZUOGBJHQNY-UHFFFAOYSA-N	303.278	1.661	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)C[C@@H]1CC[C@H]2C[C@H]12	497250112	HAMCKFMVEYBUJD-DCAQKATOSA-N	311.382	1.095	50	20	DDGD	
COC(=O)N(C)N=Cc1c(Cl)cccc1S(C)(=O)=O	495677664	QOUBNTWUNKLLPV-UHFFFAOYSA-N	304.755	1.776	50	20	DDGD	
Cc1noc(CNC(=O)NNc2cccc([N+](=O)[O-])c2C)n1	728131217	LCXGFYYPNMUQNX-UHFFFAOYSA-N	306.282	1.421	50	20	DDGD	
COC[C@@H](C)CNC(=O)NNC(=O)c1cc2c(s1)CCC2	728958458	LULORIVSHBLQSG-VIFPVBQESA-N	311.407	1.463	50	20	DDGD	
CO[C@@H]1CC(=NNC(=O)CNC(=O)OC(C)(C)C)C12CCC2	496403498	ADQZKOQWSXLQNV-LLVKDONJSA-N	311.382	1.572	50	20	DDGD	
Cc1noc2nc(C3CC3)cc(C(=O)N3CC[C@H](B(O)O)C3)c12	585068342	BASZSSOLTWKVBN-JTQLQIEISA-N	315.138	1.098	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNC(=O)c2c[nH]c3ccccc23)CCN1C	823845141	BBUSNWXUHCDTCC-GHMZBOCLSA-N	300.362	1.269	50	20	DDGD	
COc1ccnc(NNC(=O)Cc2ccc(OCC#N)cc2)n1	732057248	JEZDKAZBDYBEEY-UHFFFAOYSA-N	313.317	1.073	50	20	DDGD	
COc1ccc(Cl)cc1C(C)=NNC(=O)C(=O)NC1CC1	730551565	DPQYJPAUYOYJMW-UHFFFAOYSA-N	309.753	1.467	50	20	DDGD	
O=C(NN=CCc1ccc(F)cc1)c1cccc(-c2nn[nH]n2)c1	823269728	NBGQSQRJLWKONM-UHFFFAOYSA-N	324.319	1.964	50	20	DDGD	
C#CCCCC(=O)NN=C1C(=O)Nc2cc3c(cc21)OCCO3	901321599	XCQZUOZTTYDWHF-UHFFFAOYSA-N	313.313	1.034	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CC[C@H](N3CCCCC3)C2)cn1	491053948	ZOSXYLRHFDISNV-TYWAAFNRSA-N	313.405	1.414	50	20	DDGD	
CN1CCC[C@]2(CCN(C(=O)/C(C#N)=C/c3cnn(C)c3)C2)C1	491006620	DVYROEMAHGCJOZ-BXUGYJKXSA-N	313.405	1.271	50	20	DDGD	
CC(CCc1ccccc1)=NNC(=O)[C@@H]1CCS(=O)(=O)C1	730578359	QUWBMKDMTPBIOF-CQSZACIVSA-N	308.403	1.546	50	20	DDGD	
COc1cc(C)c(C(C)=NNC(=O)c2cnn(C)c2)cc1OC	735411257	UAJZESWOKZDZDX-UHFFFAOYSA-N	316.361	1.900	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCOc3c(Cl)cccc32)o1	585017926	CJWFRTLNPCZDHW-LBPRGKRZSA-N	307.542	1.226	50	20	DDGD	
COCCSCCCOC(=O)/C(C#N)=C/c1cnn(C)c1	837971556	PLMYROKJJWVXDG-MDWZMJQESA-N	309.391	1.640	50	20	DDGD	
CCCN1CCC[C@@H](C(=O)NNC(=O)Cc2ccccc2C)C1	907027565	HARUDBVEGSPMTN-MRXNPFEDSA-N	317.433	1.807	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)C1(CO)CCOCC1	837516260	YIKDVBJUHMBXRB-UHFFFAOYSA-N	315.373	1.775	50	20	DDGD	
O=C(O)NCCCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	739956140	BFLAYEZNIMDVBJ-UHFFFAOYSA-N	323.393	1.398	50	20	DDGD	
CC(C)(C)O[C@@H]1C[C@H](NS(=O)(=O)CCl)[C@@H]1n1cccn1	832550291	OGYXIFYBZNRPHJ-AXFHLTTASA-N	321.830	1.496	50	20	DDGD	
Cc1ncc2c(n1)CCC[C@@H]2NC(=O)NNC(=O)C(C)(C)C	734864260	PLULEPJHBNPZNE-LBPRGKRZSA-N	305.382	1.539	50	20	DDGD	
CC(C)N1CCC(C(=O)NNc2cccc(C(=O)O)c2)CC1	833501320	VAOHAHHUVXOLJU-UHFFFAOYSA-N	305.378	1.948	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNc2nc[nH]n2)cc1OC	839768500	CCAOBVOICNXQCN-SECBINFHSA-N	305.338	1.144	50	20	DDGD	
C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1ccc(B(O)O)cc1	584967934	DRUKDIMKZVZWCP-SJCJKPOMSA-N	309.174	1.420	50	20	DDGD	
CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)c1ccc(B(O)O)cc1	584963027	OITDFBCYXQZBLC-GJZGRUSLSA-N	319.210	1.032	50	20	DDGD	
CCCN1CCC[C@H](C(=O)NNC(=O)c2cccc(C#N)c2)C1	906566147	NCHDQWMNPAAYHW-HNNXBMFYSA-N	314.389	1.441	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@H](C)C1CCC1	837311763	UCSKSEXWWOSKQP-LLVKDONJSA-N	306.362	1.658	50	20	DDGD	
CC(C)n1cc(C2=CCCN(S(=O)(=O)CCl)CC2)nn1	832124835	QCQRKSKDESJSKQ-UHFFFAOYSA-N	318.830	1.864	50	20	DDGD	
COC[C@@H](C)NC(=S)NNC(=O)CCCc1ccccc1	915594213	VKLCHVZQHZOHPN-GFCCVEGCSA-N	309.435	1.540	50	20	DDGD	
C[C@H](N)C[C@H](C)NC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	831212422	PMSPRMQHALQNEE-QWRGUYRKSA-N	322.413	1.214	50	20	DDGD	
OB(O)c1cccc(-c2noc([C@@H]3CC34CCSCC4)n2)c1	585052646	SSKMDONBCJDBSS-LBPRGKRZSA-N	316.191	1.417	50	20	DDGD	
CN(NC(=O)N[C@H]1C[C@@H]2CCCCN2C1=O)c1ccccc1	836691503	QYYJWAOAKBGQGW-KBPBESRZSA-N	302.378	1.490	50	20	DDGD	
C[C@H](NC(=O)c1ccc(B(O)O)cc1)c1ccc(C2CC2)cc1	585000977	SCPKHMNAUOYLPE-LBPRGKRZSA-N	309.174	1.735	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2	915185661	NPLSKNRSHQUORC-UHFFFAOYSA-N	302.355	1.587	50	20	DDGD	
Cn1cc(C(=O)NN[C@@H](C(=O)O)c2cccnc2)c2ccccc21	833042067	UQBQBRCAJVZBDR-OAHLLOKOSA-N	324.340	1.634	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CCCc2nc(N)ccc21	834961576	IKBYYQZJDZKWFN-UHFFFAOYSA-N	317.393	1.125	50	20	DDGD	
O=C(C[C@@H]1COCCN1S(=O)(=O)CCl)c1ccco1	831101289	DDFFSNMKEXPNTQ-SECBINFHSA-N	307.755	1.079	50	20	DDGD	
CCCc1noc2nc(CC)cc(C(=O)NN(C)C[C@@H](C)O)c12	910150066	MALMDRILVCSJEO-SNVBAGLBSA-N	320.393	1.695	50	20	DDGD	
O=C(NC[C@H]1CCCO1)NNc1ncccc1C(F)(F)F	915879490	CCPJZDJRLPZKPR-MRVPVSSYSA-N	304.272	1.906	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNc1cccc(Br)n1	837210366	LWUKXPOSCCRELY-ZETCQYMHSA-N	315.171	1.202	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@H](C)C(F)(F)F	743294330	XACMLCJPGSNCDU-QMMMGPOBSA-N	319.283	1.453	50	20	DDGD	
C[C@H]1CCC[C@@H](C(=O)NNC(=O)CNC(=O)c2cccs2)C1	741552476	DUQZTGNIBPVTGY-WDEREUQCSA-N	323.418	1.452	50	20	DDGD	
CCCN(CCc1cccs1)[C@@H](C)C(=O)NNC(=O)CC	839559131	WALVOIYWCDPIBO-LBPRGKRZSA-N	311.451	1.949	50	20	DDGD	
CCc1ncncc1C(=O)NNC(=O)c1ccc(Cl)nc1	918596943	ALQOABWFBNEESN-UHFFFAOYSA-N	305.725	1.162	50	20	DDGD	
C[C@@](O)(C1CCN(S(=O)(=O)CCl)CC1)C(F)(F)F	831125961	OESMWOUIUDNUDS-MRVPVSSYSA-N	309.737	1.538	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1ccc([S@@](C)=O)cc1	746368170	AUOUSIMLAFSLBY-JOCHJYFZSA-N	318.402	1.538	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@@H]1CCc2c(O)cccc21	745865583	XSLQRDOQEIXPPU-SECBINFHSA-N	317.267	1.662	50	20	DDGD	
COc1ccc(Cl)cc1CC(=O)NNC(=O)CC(F)(F)F	918364584	PKFULYPSBPCHKT-UHFFFAOYSA-N	324.686	1.991	50	20	DDGD	
COc1cc(OC)c(C=NNC(=O)N2CCOCC2)cc1F	844578736	MRWKYAXXMMZZQQ-UHFFFAOYSA-N	311.313	1.219	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)N1CCCCC1	843973252	JZSSWQNCHCZXLT-MGPQQGTHSA-N	311.426	1.069	50	20	DDGD	
CC(C)(C)c1cc(CS(=O)(=O)NCCCSC#N)no1	916992458	KUUVULUDBGEGSU-UHFFFAOYSA-N	317.436	1.996	50	20	DDGD	
CCC(N)(CC)CNC(=O)NNC(=O)c1ccc(C#N)cc1	841951376	ILXWNUAAHIBXFD-UHFFFAOYSA-N	303.366	1.020	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CSc2ccncc2)n1	746634484	HGSDNIAKZFDIGT-UHFFFAOYSA-N	305.363	1.424	50	20	DDGD	
CCOC[C@@H]1CN(C(=O)[C@@]2(C)C[C@H]2Br)CCO1	913150324	SGOMWGYSKTWPIV-UMNHJUIQSA-N	306.200	1.424	50	20	DDGD	
C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NNC(=O)c1ccc[nH]1	743746498	LWQSUZAYEHNDGY-MRVPVSSYSA-N	309.272	1.521	50	20	DDGD	
CCN(CC)CCC(=O)NNC(=S)NCc1ccccc1	916127197	FMTJHUYRKVWQDT-UHFFFAOYSA-N	308.451	1.414	50	20	DDGD	
CO[C@H](C=NNC(=O)c1cc(Cl)ccc1O)[C@H]1CCOC1	841615829	AIZSEGGOWSIQHQ-TVQRCGJNSA-N	312.753	1.813	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC[C@@H]1CCCN1)c1ccccc1	841936851	LPKRISRJJRBICV-UONOGXRCSA-N	304.394	1.263	50	20	DDGD	
CN(C)CCOc1ccc(C=NNC(=O)c2cccnc2)cc1	915935780	IYHGVAVVGHZTKO-UHFFFAOYSA-N	312.373	1.786	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H](C)C(F)(F)F)cc1	743293947	OMMYNKXZJOABIP-SECBINFHSA-N	303.284	1.753	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@@H]1CCC[C@H](N)C1)c1ccccc1	841981295	YFGPENXZBYOGGJ-ZNMIVQPWSA-N	318.421	1.781	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CNc1cccc(Cl)c1	843971142	AZNRPYJAEDJBAV-SKDRFNHKSA-N	311.769	1.324	50	20	DDGD	
CO[C@]1(C(=O)NNc2cc(O)nc3ncccc23)CCSC1	913996019	HJMFPWGSSRRSQV-CQSZACIVSA-N	320.374	1.301	50	20	DDGD	
CC1(OCC(=O)NNc2cc(O)nc3ncccc23)CCC1	913992119	PKYUPERYFJKQBB-UHFFFAOYSA-N	302.334	1.738	50	20	DDGD	
O=C(NNC(=O)c1ccncc1Cl)c1ccc2c(c1)OCO2	744457202	OCCJOUGMODYPKP-UHFFFAOYSA-N	319.704	1.539	50	20	DDGD	
CC/C=C(\C)C(=O)NNC(=O)c1cc(Br)c[nH]1	914878807	AVSUUEJDMCXSNL-QPJJXVBHSA-N	300.156	1.895	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CCCC[C@H]1N1CCCCCC1	749810401	UJIITBDCKZUYNO-OAHLLOKOSA-N	322.453	1.802	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)NCCN1CCNCC1	841921291	RVWBTWRTOSHBNV-UHFFFAOYSA-N	311.817	1.180	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccc(C(F)(F)F)cc1	841007558	GFXUPKDLDIEUEW-UHFFFAOYSA-N	304.272	1.597	50	20	DDGD	
Cn1c(=NNC(=O)[C@@H]2CC23CCOCC3)sc2ccccc21	748528017	XQKSLNSPHCYKCZ-NSHDSACASA-N	317.414	1.988	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	916094961	GUHDXUWCDDCLBN-BBFKJOKFSA-N	306.406	1.775	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NNC(=O)Cc1ccc(Cl)cc1	746097806	BBWLJIKPPKJYOU-VXGBXAGGSA-N	323.824	1.903	50	20	DDGD	
Cc1cc2c(cc1C)O[C@H](C(=O)NNC(=O)C1CCCC1)C2	742532663	GYIDZIQOPMQEKG-HNNXBMFYSA-N	302.374	1.945	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@H](CC1CC1)NC(=O)OC(C)(C)C	911445584	YRZAETJYGXWGOJ-PWSUYJOCSA-N	315.414	1.024	50	20	DDGD	
O=C(NNc1cccc(F)c1F)N[C@@H]1CNCCC1(F)F	842003744	KAQAJFRBRGKPLB-SECBINFHSA-N	306.263	1.588	50	20	DDGD	
CN(C)C(=O)NN=Cc1cc2c(cc1OC(F)F)OCO2	741762965	XPKIYWFEAYOAPE-UHFFFAOYSA-N	301.249	1.622	50	20	DDGD	
COc1cccc(S(=O)(=O)NNC(=O)C2CCCC2)c1F	848449326	ISJISQVUGFWRQD-UHFFFAOYSA-N	316.354	1.334	50	20	DDGD	
NC(=O)C1(C(=O)OC[C@@H](CBr)C2CC2)CCC1	859657444	GONJIRDERSYFKJ-SECBINFHSA-N	304.184	1.606	50	20	DDGD	
C[C@H](C(=O)NNC(=O)COc1ccccc1F)C(F)(F)F	742471436	PSHUKJNYCRZSLY-SSDOTTSWSA-N	308.231	1.550	50	20	DDGD	
COC1(C(=O)NNc2ncc(Br)cn2)CCC1	848321904	IPKBKWLMOHIWKJ-UHFFFAOYSA-N	301.144	1.251	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2cc(C)cc(N)c2)n1	842008649	ZUJODDNOFUGEGJ-UHFFFAOYSA-N	316.365	1.511	50	20	DDGD	
O=C(NNS(=O)(=O)[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCCCO1	840914242	REHMSCXALSXTSA-BFHYXJOUSA-N	324.402	1.062	50	20	DDGD	
CCCCn1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(C)n1	843970548	HUKBPUZRJXEUKO-RYUDHWBXSA-N	308.382	1.178	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc2c(F)cccc2c1	843663418	YPMVBSAXVGGAAM-CABZTGNLSA-N	317.320	1.560	50	20	DDGD	
CCc1ncc(C=NNC(=O)[C@@H]2COc3ccccc3O2)s1	752154276	DOFCIRFAEBYVND-ZDUSSCGKSA-N	317.370	1.996	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=Cc1cccc(F)c1O	853407144	HJSMPRNPRIQRGS-UHFFFAOYSA-N	323.368	1.924	50	20	DDGD	
C[C@@H]1CC/C(=C/C(=O)OCC(=O)NNC(=O)c2cccs2)C1	754184136	CZLXDOHNCSDNOC-UBYNWHESSA-N	322.386	1.799	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)c1ccc2c(c1)OCCO2)C1CC1	858218137	IAJYEUULAUJPBK-AWEZNQCLSA-N	320.345	1.034	50	20	DDGD	
CC(C)CO[C@@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1O	920809981	XASYCWCDUUIHCT-VIFPVBQESA-N	314.769	1.868	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2ncccn2)C[C@@H]1Br	856951219	RINPQQHUVKPBLN-XVKPBYJWSA-N	300.160	1.276	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1)C1CC1	920054249	NSGMQJPACIJJDZ-GHMZBOCLSA-N	323.368	1.970	50	20	DDGD	
Cc1nnc2ccc(C(=O)NN=c3cc[nH]cc3Cl)cn12	757421819	GQNYPYYMVYXRRJ-UHFFFAOYSA-N	302.725	1.265	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(N2C(=O)CCC2=O)c(C)c1	756552094	CEJAWBVAGDLMRC-UHFFFAOYSA-N	318.333	1.211	50	20	DDGD	
CC(C)c1cccc(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1	853292954	ZXZZLUJGQCAIPI-AWEZNQCLSA-N	323.418	1.630	50	20	DDGD	
COCCCOCCC(=O)NNc1nc2ccccc2n1C	857255116	ICJVSLSVJTUIID-UHFFFAOYSA-N	306.366	1.460	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=CCCc1ccccc1	755774201	ZVSSCQGSDSDYST-UHFFFAOYSA-N	310.357	1.546	50	20	DDGD	
O=C(NCCc1cccc([N+](=O)[O-])c1)NNC(=O)C1CCCC1	759681543	XGRZQRSCEULUQY-UHFFFAOYSA-N	320.349	1.658	50	20	DDGD	
CCCC[C@@](C)(F)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	854180881	QILCZXUXZCVKGW-XJKSGUPXSA-N	324.352	1.892	50	20	DDGD	
CNC(=S)N(C)NC(=O)COc1ccc(Cl)cc1C	854929783	ROISLNYYXPYCCZ-UHFFFAOYSA-N	301.799	1.495	50	20	DDGD	
Cc1nccc(NCc2cccc(C(=O)NN(C)C(N)=O)c2)n1	755705108	CMLXTXBUZAXMEZ-UHFFFAOYSA-N	314.349	1.052	50	20	DDGD	
CC(C)C(=O)NCCNC(=O)NC[C@]1(C)C[C@@H]1Br	856821122	JYAKEEUAACKZLV-CABZTGNLSA-N	320.231	1.231	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC[C@H](C2CCC2)CC1)c1ncccn1	854953935	YMOJBHQILCZYFV-JOCQHMNTSA-N	302.378	1.844	50	20	DDGD	
COC(=O)[C@@H]1CCN2C(=O)N(CCSSC)C(=O)[C@H]2C1	925339065	PSONLZBZWVIFFJ-RKDXNWHRSA-N	318.420	1.213	50	20	DDGD	
CO[C@@H](Cc1ccccc1)C(=O)NNC(=S)N[C@H](C)C1CC1	855095556	PJMILUTYZIKNPK-RISCZKNCSA-N	321.446	1.538	50	20	DDGD	
O=C(C[C@H](O)c1cccc(F)c1)NNC(=O)CC(F)(F)F	855000601	LMQOULVWROPJFC-VIFPVBQESA-N	308.231	1.349	50	20	DDGD	
Cn1ncc(C(=O)NNc2cc(Cl)nc(N)n2)c1C(F)F	753453963	ACWOIGIJSYMAPP-UHFFFAOYSA-N	317.687	1.140	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)C1=NN2CCCN=C2N1	928336776	CCEIPFQZYZBGBO-UHFFFAOYSA-N	306.757	1.070	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@H](C)Oc1ccccn1)C1CC1	855095822	PIDKMSURLYLTQZ-VHSXEESVSA-N	308.407	1.143	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccc(-n3cccc3)nc2)n1	753341228	VQGNVBOXSWUDQS-UHFFFAOYSA-N	323.360	1.485	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)C2[C@@H]3CCCCCC[C@@H]23)nn1	857150922	VYNQRSBFZJKBOS-NXEZZACHSA-N	303.366	1.235	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(C(F)(F)F)nn1)c1cnn(C)c1	755188973	BSYDSCICRWMUSF-ZETCQYMHSA-N	314.271	1.476	50	20	DDGD	
COC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)CC(F)(F)F)C1	751063631	ORKNUQRZNIKHRQ-SFYZADRCSA-N	310.272	1.066	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCC(=O)N1CCCCC1	750664646	VWPFPIQOCGWZAS-GXDHUFHOSA-N	314.341	1.855	50	20	DDGD	
Cn1nnc2cc(C(=O)NNc3ccc(F)c(F)c3F)cnc21	755561541	UNSAFHNGGBEYCW-UHFFFAOYSA-N	322.250	1.538	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@H]1NC[C@@H](CBr)C1CC1	859279329	OVZSPXZLXPUKQT-IJLUTSLNSA-N	303.244	1.912	50	20	DDGD	
CC(C)Cn1cccc(C(=O)NN=c2cc[nH]cc2Cl)c1=O	935414129	JZEWQMCPOUXFNG-UHFFFAOYSA-N	320.780	1.732	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C2(O)CCOCC2)c1C	854186684	SJRBSHGAABPDOL-UHFFFAOYSA-N	323.418	1.163	50	20	DDGD	
NC(=O)c1cccc(C=NNC(=O)COCc2ccccc2)c1	755734359	UCXSJBXRRVOFRI-UHFFFAOYSA-N	311.341	1.452	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)c2cccn2C)c1	753074872	JTOHPPQPIQYTQS-UHFFFAOYSA-N	301.350	1.876	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccnc(N2CCCCC2)c1	934079956	VROQUWUVZIWSGZ-UHFFFAOYSA-N	307.354	1.855	50	20	DDGD	
CC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)c1cc(C)cs1	862477756	QIEIZBWENXGZLA-NSHDSACASA-N	311.407	1.368	50	20	DDGD	
OB(O)c1cccc(CNCCC[C@@H]2CC2(Cl)Cl)c1	863889862	JXJMXZZVULSHFG-LLVKDONJSA-N	302.010	1.430	50	20	DDGD	
CCOCCC1(C(=O)NNC(=O)Cc2cc(C)[nH]n2)CCCC1	869014661	WHOSVXKYYAWVPS-UHFFFAOYSA-N	322.409	1.395	50	20	DDGD	
Cc1cnccc1C(=O)NNC(=O)Cc1cn2ccccc2n1	769964473	RZGLHVPWIMQBSV-UHFFFAOYSA-N	309.329	1.041	50	20	DDGD	
Cc1cc(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)s1	760254867	WQHBCEXEURCYQH-NSHDSACASA-N	315.420	1.185	50	20	DDGD	
O=C(NNC(=S)NCCCCC(F)(F)F)c1cn[nH]c1	863205434	WOTMSAWXQPRVEV-UHFFFAOYSA-N	309.317	1.251	50	20	DDGD	
COC(=O)c1ccc(/C=C/C(=O)NN(C)C(=O)OC(C)(C)C)o1	868856143	BXGXKSKTWGEHDB-VQHVLOKHSA-N	324.333	1.978	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cc(Cl)cc(F)c1O	768368082	WVMSQTGUNJMOJJ-MRVPVSSYSA-N	318.732	1.686	50	20	DDGD	
CC(C)(C)c1csc(NC(=O)c2ccc(B(O)O)cc2)n1	863886296	WLLUSCUWGYAAGL-UHFFFAOYSA-N	304.180	1.373	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2ccc(-c3ccccc3)nn2)co1	760367078	PKVLDIHPGWQEFW-UHFFFAOYSA-N	323.312	1.592	50	20	DDGD	
O=C(NNC(=O)c1cnco1)c1cc(-c2ccc(F)cc2)[nH]n1	760172602	MIVSXEQYOGAMRS-UHFFFAOYSA-N	315.264	1.279	50	20	DDGD	
Cc1sc(Cl)nc1C(=O)NNc1ncnc2[nH]cnc12	762869877	CICUQGHRNKVPON-UHFFFAOYSA-N	309.742	1.528	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1cc2cccc(C)c2o1	869908955	CPRNFVRFZRHAJC-UHFFFAOYSA-N	306.318	1.165	50	20	DDGD	
CCC(=NNC(=O)CS(C)(=O)=O)c1ccc(Cl)c(N)c1	863186263	UNCLIQIZFWWBJP-UHFFFAOYSA-N	317.798	1.197	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H]2CCCc3nn(C)cc32)c1	862479189	GHMSMYCTJRFDAC-SNVBAGLBSA-N	318.402	1.671	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1c(OC)cc(F)cc1OC	865213728	GGQLYKKZMSEADO-UXBLZVDNSA-N	308.309	1.512	50	20	DDGD	
CC[C@H](C)n1nc(NC(=O)C(=O)NNC(=O)CC2CC2)cc1C	764142718	ACEQMYMQLAIJNG-VIFPVBQESA-N	321.381	1.049	50	20	DDGD	
N#CC1=CCN(C(=O)c2ccc3c(O)nc(S)nc3c2)CC1	767158650	YMFIUFCWSCBAGC-UHFFFAOYSA-N	312.354	1.920	50	20	DDGD	
O=S(=O)(CBr)N1CCC[C@H](c2ccncc2)C1	867439487	PVOCQVODEBEBAA-NSHDSACASA-N	319.224	1.943	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cnc(C2CC2)s1	761803469	BUYRWOAIRRHYIZ-NSHDSACASA-N	322.434	1.439	50	20	DDGD	
COCCOCC(=O)NN=C(C)[C@H](C)c1ccc(OC)cc1	872401593	BIOBYGHCRHWRRW-LBPRGKRZSA-N	308.378	1.954	50	20	DDGD	
Cc1ccc(Br)c(F)c1C=NNC(=O)CN(C)C	872347671	BZVXFVWMAAMHPI-UHFFFAOYSA-N	316.174	1.908	50	20	DDGD	
Cc1cccc(NNC(=O)c2ncc(C(N)=O)cc2Cl)c1	1116410340	ZKASWCDJRKMZTE-UHFFFAOYSA-N	304.737	1.899	50	20	DDGD	
CC(=O)N1CCC[C@H](CNC(=O)NNc2cccc(C)n2)C1	875548649	BKGUYESXUOUVNO-CYBMUJFWSA-N	305.382	1.275	50	20	DDGD	
CN(C)C(=O)NNC(=O)CCCCC(=O)c1ccc(F)cc1	777785528	SBVIPUVYYRDFCC-UHFFFAOYSA-N	309.341	1.871	50	20	DDGD	
O=C(NN=Cc1ncc(C2OCCO2)s1)NC1CCCC1	773053672	GTIFXJGQALEYDV-UHFFFAOYSA-N	310.379	1.764	50	20	DDGD	
CSC1CCN(CC(=O)NNC(=O)c2ccc(C)cc2)CC1	879099346	OFRHQJZHBCIJBF-UHFFFAOYSA-N	321.446	1.583	50	20	DDGD	
Cc1cccc(C)c1CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	1118124319	BUKKNILSRUDBIW-OLZOCXBDSA-N	305.378	1.559	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1cccc2cc[nH]c12	773468473	PCGHSDMMICATMY-UHFFFAOYSA-N	302.334	1.300	50	20	DDGD	
COCCO[C@@H]1COCC[C@H]1NC(=O)NN(C)c1ccccc1	776945455	ZGTRZWJYSCVYCE-HUUCEWRRSA-N	323.393	1.158	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cccc(NC(=O)OC)c1	887142958	GLKCTRARPZGXLS-UHFFFAOYSA-N	303.318	1.429	50	20	DDGD	
Cc1cnccc1C(=O)NNC(=O)Cc1c[nH]c2ccccc12	770209525	VFOIBLNQGNMQJB-UHFFFAOYSA-N	308.341	1.875	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CNc1c(C)cccc1C	772153065	FMCASRCMHNGWSP-LBPRGKRZSA-N	321.377	1.204	50	20	DDGD	
Cc1noc([C@H]2CCCCN2S(=O)(=O)CCCCl)n1	882192982	BFWQAVXBWLBQIQ-SNVBAGLBSA-N	307.803	1.864	50	20	DDGD	
CC(C)[C@@H]1CCC[C@H](NC(=O)NNC(=O)C2CCOCC2)C1	883325843	LDWLFOGZJZPEJD-KGLIPLIRSA-N	311.426	1.958	50	20	DDGD	
CC(C)[C@H]1C[C@@H](NC(=O)NNc2ncncc2Cl)CCO1	781013358	JRYITINJAPCDKL-GXSJLCMTSA-N	313.789	1.960	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1c[nH]nc1C1CC1	789813967	LKTZYLYUUUWJCS-UHFFFAOYSA-N	320.374	1.448	50	20	DDGD	
C[C@@]1(COC(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1Br	1123039383	NKCRONZCXMOFHN-WPRPVWTQSA-N	318.127	1.508	50	20	DDGD	
O=C(NC[C@@H]1CCCCC1(F)F)NNC(=O)c1cccnn1	883671047	ZKMDUJBWUWXLMZ-VIFPVBQESA-N	313.308	1.246	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(C#N)cn1)N1CCc2ccccc2C1	899662290	RKRWGRKBWSXIKT-CYBMUJFWSA-N	321.384	1.843	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCC(=O)NOCc1ccccc1	786681315	TZEMTTCBOFBBRK-ZSOIEALJSA-N	300.314	1.638	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CCN(C)[C@H](C)C2)c1	780833604	FKBSAIFHZBPICO-YPMHNXCESA-N	320.393	1.582	50	20	DDGD	
CSc1cccc(F)c1C(=O)NNC(=O)Cc1ccncc1	798460422	VZPKATRJIPENRA-UHFFFAOYSA-N	319.361	1.946	50	20	DDGD	
NC(=O)c1ccccc1CCC(=O)NNC(=O)C1CCCC1	791508232	ORBACIHCOUSINJ-UHFFFAOYSA-N	303.362	1.056	50	20	DDGD	
N#C/C(=C\c1cccc(NC(=O)C(F)(F)F)c1)S(N)(=O)=O	798232427	UUWWFGXHADFLJZ-WEVVVXLNSA-N	319.264	1.340	50	20	DDGD	
CN1CC[C@@H](NC(=O)[C@H](Br)C(C)(C)C)CC1=O	793918462	DKZZHALXXWENSS-SCZZXKLOSA-N	305.216	1.533	50	20	DDGD	
CSc1cc(C(=O)NNC(=O)c2cccc(C)n2)ccn1	794075979	DKYITYHVOJXKIG-UHFFFAOYSA-N	302.359	1.582	50	20	DDGD	
CCOc1nc2ccc(C(=O)NNC(=O)c3ccc[nH]3)cc2[nH]1	798152785	CNRLSYZJCKOXTL-UHFFFAOYSA-N	313.317	1.365	50	20	DDGD	
Cc1ccc(F)c(C(=O)NNC(=O)NCC(F)(F)F)c1F	798315198	PNCQSKASGBFQKW-UHFFFAOYSA-N	311.210	1.780	50	20	DDGD	
CS(=O)(=O)c1ccc(NC(=O)NNc2cccc(F)n2)cc1	796637383	AOMPFGKHKQQOGE-UHFFFAOYSA-N	324.337	1.773	50	20	DDGD	
Cc1noc(C)c1C(C)(C)N[C@@H](C)C(=O)NNC(=O)CC(C)C	796665763	MOCMYNRATYAZAF-NSHDSACASA-N	324.425	1.698	50	20	DDGD	
Cc1cccnc1NNC(=O)NCc1ccnc(-n2cccn2)c1	791013154	FTEDLWQTQWCUJI-UHFFFAOYSA-N	323.360	1.797	50	20	DDGD	
C[N+](C)(C)CC(=O)NN/C=C1/C=C(Cl)c2ccccc2C1=O	794458292	ZSEJRWDISBEIES-UHFFFAOYSA-O	320.800	1.674	50	20	DDGD	
CC(C)=CCCNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	790521396	VCJAWLKNXVEJTQ-AWEZNQCLSA-N	319.361	1.513	50	20	DDGD	
CSCC[C@@H](C)NC(=O)NNc1nncc(N)c1Cl	1319206534	HIACXSZEZPHVRJ-ZCFIWIBFSA-N	304.807	1.480	50	20	DDGD	
CCCNC(=O)NN=Cc1ccc(N2CCN(C)CC2)c(F)c1	1318035349	VHXVLBPERZDISH-UHFFFAOYSA-N	321.400	1.621	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NC[C@@]2(C)CCOC2)nn1	1318639317	JVFPPQVVSFEEGL-OAHLLOKOSA-N	307.398	1.827	50	20	DDGD	
Cn1cccc1CNC(=O)NNc1ccc(C(C)(C)C)nn1	1318900510	AAGNISJPQMWWMH-UHFFFAOYSA-N	302.382	1.939	50	20	DDGD	
COc1ccc(C(=O)NNc2nncc(N)c2Cl)c(O)c1	1319246076	UKSJUKPNHSKYJY-UHFFFAOYSA-N	309.713	1.183	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2ccc(C(=O)O)cc2)CC1	1317699625	WJCDVWHZFBKNRH-UHFFFAOYSA-N	317.389	1.957	50	20	DDGD	
Cc1nc(C(=O)NNc2cnnc3ccccc23)ccc1C#N	1318535248	HHLQFUYWGFFSEZ-UHFFFAOYSA-N	304.313	1.962	50	20	DDGD	
CNC(=O)CCCCC(=O)NNC(=O)c1ccccc1Cl	1320786947	JRVHRDHRQLEMMR-UHFFFAOYSA-N	311.769	1.407	50	20	DDGD	
Cc1ccc2c(c1)S[C@H](C(=O)NNC(=O)[C@H]1CCCCO1)C2	1328012888	FDBWRMJKOSZEOX-OCCSQVGLSA-N	320.414	1.728	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H]1CCCc2c(O)cccc21	1324477919	LYFKTIPNJPCSBE-LBPRGKRZSA-N	307.419	1.716	50	20	DDGD	
Cc1nc([C@H](C)NC(=O)NNC(=O)CCc2ccccc2)no1	1323117643	UZYSLPABSFVIAJ-JTQLQIEISA-N	317.349	1.402	50	20	DDGD	
Cn1ccc(NNC(=O)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)n1	1325385969	NUSQWTWMDVZHRE-LLVKDONJSA-N	323.397	1.509	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cnc(C)nc2C)cc1	1323493020	VUZZPWJLUQYTHL-UHFFFAOYSA-N	300.318	1.177	50	20	DDGD	
CCOC(=O)C[C@@H]1CCCCC1=NNC(=O)c1cccnn1	1330907978	KTHMSDVLTRHHLG-NSHDSACASA-N	304.350	1.706	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@H]2Cc3ccccc3S2)c1Cl	1333510840	XXUHEXUTKPHDPJ-SNVBAGLBSA-N	321.793	1.872	50	20	DDGD	
O=C(c1cccc(CCl)c1)N1CCO[C@@H](c2nn[nH]n2)C1	1336340261	ABMCWHOCXCUPEQ-LLVKDONJSA-N	307.741	1.152	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@@H]2C)cc1	1331498849	OXBCSVRSSNRGMF-RMIALFOJSA-N	306.362	1.516	50	20	DDGD	
Nc1cnnc(NNC(=O)CSCc2ccccn2)c1Cl	1340553676	GGXBNAZIBIEIMM-UHFFFAOYSA-N	324.797	1.484	50	20	DDGD	
CN(C)c1cnc(C(=O)NNc2ccc(C(C)(C)C)nn2)cn1	1261552483	TXNOBXKEOAFZAI-UHFFFAOYSA-N	315.381	1.387	50	20	DDGD	
CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)C1CCNCC1	1345140396	FMPCHCXDHDYIQX-ZFWWWQNUSA-N	324.469	1.921	50	20	DDGD	
O=C(NCCc1nc2c(s1)CCC2)NNc1ccccn1	1263143962	TZJPHNQTXOBTAL-UHFFFAOYSA-N	303.391	1.896	50	20	DDGD	
N#Cc1cccc(C2(C(=O)NNC(=O)[C@H]3CCCCO3)CC2)c1	1348313298	QCRQEMYKWDMIEL-CQSZACIVSA-N	313.357	1.306	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2ccccc2Cl)[nH]1	1347600727	RAGVVWRSLWWQJK-UHFFFAOYSA-N	321.720	1.530	50	20	DDGD	
CCn1nc(C(C)C)cc1C(=O)NNc1ccc(C(=O)O)cn1	1605934134	GIRRCOHSSBROOQ-UHFFFAOYSA-N	317.349	1.877	50	20	DDGD	
COC(=O)C[C@H]1CN(C(=O)C2CCC(Cl)CC2)CCO1	1521236583	DOZFALIPAXKHNL-MCIGGMRASA-N	303.786	1.575	50	20	DDGD	
O=C(O)CNC(=O)NN=C(C[C@@H]1CCOC1)c1ccccc1	1608754165	KYUAETNQJSQTPY-NSHDSACASA-N	305.334	1.201	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cncc(C(=O)O)c2)cc1	1605297061	ULBRZDPCJJFQIY-UHFFFAOYSA-N	314.301	1.170	50	20	DDGD	
O=C(O)C1(C(=O)NNc2ccnc(Cl)c2)CCSCC1	1605935875	UXUVJOHFNBTXAN-UHFFFAOYSA-N	315.782	1.776	50	20	DDGD	
N#Cc1ccc(CC(=O)NNc2cccc(C(=O)O)c2F)cn1	1601097697	CTVMKZAPOZAESW-UHFFFAOYSA-N	314.276	1.476	50	20	DDGD	
O=C(Cn1ccc(C(=O)O)n1)NNc1c(F)cccc1Cl	1601384278	GDBGSYXDSURDQY-UHFFFAOYSA-N	312.688	1.517	50	20	DDGD	
COC[C@H](C)OC(=O)/C(C#N)=C\c1cccc(-c2nn[nH]n2)c1	1609317878	RKCGVLJLTDIQGQ-BNDQCTAISA-N	313.317	1.352	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)N[C@H]1CC[C@H]2CC[C@H]1OC2	1601559874	ZRCJENWABFZJGI-LEWSCRJBSA-N	319.361	1.969	50	20	DDGD	
COc1cc(OC)cc([C@@H](NNC(=O)CC2CC2)C(=O)O)c1	1607186662	DRCBKDBNOHFDOY-CQSZACIVSA-N	308.334	1.250	50	20	DDGD	
COC[C@@H](CNC(=O)NNc1ccc(CC(=O)O)cc1)C(C)C	1606800958	ZUAKECPLLOCESD-CYBMUJFWSA-N	323.393	1.858	50	20	DDGD	
Cn1c(=NNC(=O)NCCCCC(=O)O)sc2ccccc21	1600893097	FHXFWFSNEVMVSE-UHFFFAOYSA-N	322.390	1.610	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1nc(CCC(=O)O)cs1	1604918195	GXUHPCOWAHIKNB-SSDOTTSWSA-N	314.367	1.359	50	20	DDGD	
O=C(CCN1CC[C@H](F)C1)NNc1cccc(F)c1C(=O)O	1608307978	GYVLJNKNMMRXKC-VIFPVBQESA-N	313.304	1.401	50	20	DDGD	
O=C(NN=C1CCC(F)(F)CC1)[C@@H]1CN2CCC[C@H]2CO1	1549316195	ROMBRADTXPXQOR-RYUDHWBXSA-N	301.337	1.531	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2cccc(C(=O)O)c2)[C@H]1OC	1610028816	GAMHNCDRWCJGQV-YNEHKIRRSA-N	323.349	1.203	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@@H]1C=NNC(=O)c1cnsn1	1552919403	IQGBFXGCBFFIPB-MWLCHTKSSA-N	320.378	1.248	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H](F)[C@@H]2CCNC2)c1C	1579768280	UFTKASNCXGNZDW-YPMHNXCESA-N	324.425	1.569	50	20	DDGD	
C[C@H]1C[C@@H](N)CN1S(=O)(=O)c1ccc(CCCl)cc1	1576612335	RMJYAIBOFWIJIG-CMPLNLGQSA-N	302.827	1.578	50	20	DDGD	
C[C@@]1(N)CCCC[C@@H]1C(=O)NNc1cc(O)nc2ncccc12	1576531130	QIKRLAOZELALJG-BDJLRTHQSA-N	315.377	1.686	50	20	DDGD	
O=C(NCc1cccc(C(=O)O)c1)NNC(=O)[C@H]1CCCS1	1574819411	JIJHLVPJXXTLKB-LLVKDONJSA-N	323.374	1.111	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)[C@@H]1CNCc2ccccc21	1580739588	JXWNNZUYCAPYOO-LLVKDONJSA-N	303.753	1.460	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)OCC(=O)CCC(=O)O	1589698575	CSXJOPKRZNAOAK-SECBINFHSA-N	309.156	1.773	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843363611	PKOUTOIQFJWXIN-RQJHMYQMSA-N	301.120	1.259	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCO1	1588999730	MXIFKVRNPRGHSQ-CABZTGNLSA-N	302.338	1.125	50	20	DDGD	
COc1ccccc1C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1580078749	KPQZCWSMMCYKPN-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
C[C@@H](C(=O)O)c1ccc(NC(=O)NNc2ncccn2)cc1	1589512719	VSXMWQYBFCRSAJ-SECBINFHSA-N	301.306	1.813	50	20	DDGD	
CCOCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)CCl	1847435358	CASONTUTEWBJFK-RYUDHWBXSA-N	316.829	1.490	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](C)CN)C2	1841667355	GZPCPDPWHPUGGV-NWDGAFQWSA-N	315.845	1.192	50	20	DDGD	
O=C(O)Cc1cccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)c1	1595132030	ZCVAMSKTULVPFY-LBPRGKRZSA-N	321.333	1.036	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)CCCNC)C1	1842917493	KUDXBJNWDQWDLJ-LBPRGKRZSA-N	315.845	1.207	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cn[nH]c1)C2	1845165069	SRIFRIGMNUXQHI-NSHDSACASA-N	310.785	1.244	50	20	DDGD	
C[C@@]1(CCC(=O)NNc2ccc(F)c(C(=O)O)c2)CCC(=O)N1	1594003203	REYZVXCHGLBERM-HNNXBMFYSA-N	323.324	1.416	50	20	DDGD	
CCNC(=O)CCCC(=O)NNc1cccc(C(=O)O)c1C	1596458134	GSNUMZPMMJTDKC-UHFFFAOYSA-N	307.350	1.443	50	20	DDGD	
O=C(NCc1ccc(C(=O)O)cc1)NNC(=O)[C@@H]1CCCS1	1594773841	NTEAESBSYXXLHP-NSHDSACASA-N	323.374	1.111	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C(CC)(CC)C(=O)O)cc1	1593635214	GZANGYBNFMCKJN-UHFFFAOYSA-N	306.362	1.901	50	20	DDGD	
CCOc1ncccc1C(=O)NNc1ccc(CC(=O)O)cc1	1597200653	OFEQLPRBFFKSON-UHFFFAOYSA-N	315.329	1.864	50	20	DDGD	
COc1cc(C(=O)O)ccc1C=NNC(=O)c1ccc(O)cc1	1776012465	FXLUQQPKDHVRNK-UHFFFAOYSA-N	314.297	1.863	50	20	DDGD	
CC(=NNC(=O)c1ccnnc1)c1cc(C(=O)O)c(C)nc1C	1776081334	KCGAKAUJDUIKIR-UHFFFAOYSA-N	313.317	1.341	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)C3CC3)CCO2)C1	1781224714	ZMHNASDYQQTRDH-DOMZBBRYSA-N	314.813	1.244	50	20	DDGD	
Cc1nnc(NNC(=O)c2cc3c(s2)CCCCC3)[nH]c1=O	11335317	MAUAKLLXESMVJL-UHFFFAOYSA-N	319.390	1.561	50	20	DDGD	
COc1ccc(C=NNC(=O)CNC(=O)c2cccs2)cc1	13139494	OFERTIRIUGEPDG-UHFFFAOYSA-N	317.370	1.637	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=S)NCC2CCC2)c(F)c1	152742208	HTSFLYYDQLENQQ-UHFFFAOYSA-N	324.425	1.801	50	20	DDGD	
Cc1ccc(CCC(=O)NNC(=O)c2cc(C)n[nH]2)c(C)c1	153272846	NAWORJZSEXHJSN-UHFFFAOYSA-N	300.362	1.729	50	20	DDGD	
CCC[C@@H](C(=O)NNc1nccc(N2CCOCC2)n1)C(C)C	155677416	YOJLOKGUUMFWIR-CYBMUJFWSA-N	321.425	1.829	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(NC(C)=O)cc2)nc1	159356446	CLAHTBIIGKPDTG-UHFFFAOYSA-N	300.318	1.806	50	20	DDGD	
C[C@@H]1CCc2c(C(=O)NNC(=O)Cc3cc[nH]n3)csc2C1	106451897	HAUXKCGRTXLARS-SECBINFHSA-N	318.402	1.600	50	20	DDGD	
Cc1ccc(NNC(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)nn1	106263555	XUTQJZOIFVUWGZ-CHWSQXEVSA-N	320.441	1.779	50	20	DDGD	
O=C(NCCn1cccn1)NNc1ncnc2ccsc12	177873864	XQHHZJJMGBFQCN-UHFFFAOYSA-N	303.351	1.214	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2cscn2)c1	103063005	LQCGEISEHVHECP-UHFFFAOYSA-N	305.359	1.600	50	20	DDGD	
C[C@@H](Sc1nncn1C)C(=O)NNc1ccccc1[N+](=O)[O-]	56063321	MYRXNNBPDAYCKA-MRVPVSSYSA-N	322.350	1.347	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O	10158946	CXNPZTJWUCJNLO-UHFFFAOYSA-N	302.334	1.385	50	20	DDGD	
COCCOCCNC(=O)NNc1cc(F)c(F)cc1F	115802817	YUWUQPHLYQYYRG-UHFFFAOYSA-N	307.272	1.393	50	20	DDGD	
CC[C@H](OC)C(=O)NNC(=O)c1cc2ccccc2cc1O	68411904	IWJKPDDMUYBRDI-AWEZNQCLSA-N	302.330	1.731	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCc2cccc(Cl)c2)cn1	117955130	IBNOTWXCVRARGE-UHFFFAOYSA-N	307.741	1.218	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)Cc2ccccc2F)ccn1	183437059	YVCXHAFHFWHQLH-UHFFFAOYSA-N	302.309	1.925	50	20	DDGD	
O=C(Cc1ccccc1[N+](=O)[O-])NNc1ccc(Cl)nn1	118504652	ACRJYXBZDKGPOW-UHFFFAOYSA-N	307.697	1.724	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCc2ccncc2)nc1	179779140	GZBGXFOGELUTDH-UHFFFAOYSA-N	300.318	1.339	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](C)c1ccc2c(c1)CCCC2	66697926	VMYDPNGEUVJLSC-GFCCVEGCSA-N	319.405	1.993	50	20	DDGD	
O=C(/C=C/c1cccnc1)NNC(=O)NCCc1cccs1	122997132	LLILHWHNTZCXDF-AATRIKPKSA-N	316.386	1.729	50	20	DDGD	
CC(Cl)(Cl)C(=O)NNc1nc2ccccc2c(=O)[nH]1	181898519	WUTMQWDWJONBQI-UHFFFAOYSA-N	301.133	1.560	50	20	DDGD	
C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NN(C)C(N)=O	181059565	LHNOJTYYRHBDNV-ZCFIWIBFSA-N	306.149	1.802	50	20	DDGD	
CC1(Cn2cc(C(=O)NNc3cc(Cl)ccn3)nn2)COC1	184317573	NFPIUKHJOKTHGI-UHFFFAOYSA-N	322.756	1.120	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CCc1nnc(-c2ccsc2)o1	77220197	GWGCVYKFCNIXMW-UHFFFAOYSA-N	322.390	1.924	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@@H](C)N(C)C1CC1	73331380	IZJFBSXHKJYDNI-SNVBAGLBSA-N	312.845	1.951	50	20	DDGD	
C[C@H](C1CC1)N(C)CC(=O)NNC(=O)c1ccccc1Cl	72581874	VYFDWJSQNWIONC-SNVBAGLBSA-N	309.797	1.831	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@H]1CCN(CC2CC2)C1	126009008	BJMBKTIYFSMABG-JTQLQIEISA-N	310.789	1.240	50	20	DDGD	
Cc1cc(C(=O)NNc2ccnc(F)c2)c(N)c([N+](=O)[O-])c1	182425839	HCZSVSTWPPWENK-UHFFFAOYSA-N	305.269	1.776	50	20	DDGD	
C=CCC[C@H](C(=O)NNC(=O)C(=O)NC(C)C)c1ccccc1	188993092	RMJRDNBUHOAMLO-AWEZNQCLSA-N	317.389	1.408	50	20	DDGD	
Cc1cc(C(=O)NN(C)C(N)=O)c(C)n1Cc1ccccc1	181082033	DIYQEBVWEFZAER-UHFFFAOYSA-N	300.362	1.809	50	20	DDGD	
CC(C)NC(=O)CCNC(=O)NNc1cccc([N+](=O)[O-])c1	45573501	ZQBRUKHJLGMPEK-UHFFFAOYSA-N	309.326	1.136	50	20	DDGD	
COCc1cccc(NC(=O)NNC(=O)c2cnn(C)c2)c1	183622724	XHZVKUBADUMIIM-UHFFFAOYSA-N	303.322	1.033	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)c1ccc(F)cn1	188190775	KALABKXCDXTUKB-UHFFFAOYSA-N	316.321	1.891	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1cc(Cl)c[nH]1	49167193	KBBLDRILJYUJIF-UHFFFAOYSA-N	312.782	1.916	50	20	DDGD	
O=C(NNc1cnccn1)C1=NN(Cc2ccccc2)C(=O)CC1	133338068	SIFSSHFLYIURQA-UHFFFAOYSA-N	324.344	1.098	50	20	DDGD	
O=C(CC1OCCCO1)NNc1ccc(OC(F)F)cc1	193640154	PTIJCHXCBBAGFF-UHFFFAOYSA-N	302.277	1.884	50	20	DDGD	
N#C/C(=C/c1ccc(-n2cccn2)cc1)S(=O)(=O)NC1CC1	195310556	OGIMFRCMBLIZKH-GDNBJRDFSA-N	314.370	1.819	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNC(=O)CCc1ccccc1	132424135	YIOOXAICDRWIFI-CYBMUJFWSA-N	308.378	1.208	50	20	DDGD	
CCC[C@@H]1CN(CC(=O)NNC(=O)c2cccs2)CCO1	132498564	QFRLNDSLJLGIAE-LLVKDONJSA-N	311.407	1.010	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)c1cnn(C)c1)c1ccccc1	80356085	ARCKMXQUOVNUGQ-AWEZNQCLSA-N	300.362	1.621	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C[C@@H]2CCCO2)c1	46763999	VSGVSFLOAAXLMV-ZDUSSCGKSA-N	306.362	1.399	50	20	DDGD	
CS[C@@H](C)C(=O)NNC(=S)NCCc1cccs1	49087586	VKHNRAKTGDEVHV-QMMMGPOBSA-N	303.478	1.537	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1ccc(Cl)nc1	193878640	ZUISFRGUHLZTDP-UHFFFAOYSA-N	319.748	1.713	50	20	DDGD	
Cc1oc(-c2ccsc2)nc1CC(=O)NNC(=O)C1CC1	263740952	BBVHSNGYDOXIHB-UHFFFAOYSA-N	305.359	1.811	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(OC2CCC2)cc1	266565315	WIDNMZTVJPVTAI-UHFFFAOYSA-N	305.403	1.913	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1nc2ccccc2n1C)C(C)(C)C	265270681	MWUHORSVWSCYOW-NSHDSACASA-N	316.405	1.945	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)N[C@@H]2CCCSC2)c1	267381015	VJXREGBWYQWOTH-GFCCVEGCSA-N	322.434	1.592	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1C[C@]12CCc1ccccc12	369453394	UTBOOHQQKUJDGP-PBHICJAKSA-N	310.357	1.004	50	20	DDGD	
CS[C@@H](C)CC(=O)NNC(=O)COc1ccc(C#N)cc1	270118177	IZYAARMICIIDRK-JTQLQIEISA-N	307.375	1.226	50	20	DDGD	
CCc1[nH]nc(C(=O)NNc2nnc(C3CC3)s2)c1[N+](=O)[O-]	273609031	LKMNVKIZAFPURK-UHFFFAOYSA-N	323.338	1.366	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)Nc1nc(C2CCC2)cs1	279370714	IXACMPXDJRKNMC-UHFFFAOYSA-N	322.390	1.297	50	20	DDGD	
CC(C)Cn1cc(NC(=O)NNc2nc3ccccn3n2)cn1	276786937	KAFAXSHWJTWWGB-UHFFFAOYSA-N	314.353	1.730	50	20	DDGD	
CC[C@H](C)Oc1cc(C(=O)NNc2nccnc2OC)ccn1	274049413	GVAZXLOKZLUDKZ-JTQLQIEISA-N	317.349	1.814	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H]2CCO[C@H](C)C2)cc1	271834643	GNXZFTBGFXEQDB-OLZOCXBDSA-N	305.378	1.369	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2CCCO[C@H]2CC(C)C)n1	275047128	UQRAMYBLXLDXFX-NEPJUHHUSA-N	323.397	1.705	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1cc(C)c(Cl)s1	276727581	QGTXOJCFALJJAV-UHFFFAOYSA-N	311.816	1.565	50	20	DDGD	
Cn1c(C(=O)NNC(=O)C(C)(C)O)c(Cl)c2ccccc21	278051766	XBNVRTZMSNJJIK-UHFFFAOYSA-N	309.753	1.364	50	20	DDGD	
CC(C)(C)c1cnc(CCC(=O)NNC(=O)c2cccnc2)o1	274887059	KLRXTBSKPPTIHW-UHFFFAOYSA-N	316.361	1.761	50	20	DDGD	
COc1ccc2cccc(CC(=O)NNC(=O)NC3CC3)c2c1	270057483	WHTQQFVQQUOPEO-UHFFFAOYSA-N	313.357	1.884	50	20	DDGD	
CC[C@@H](NNC(=O)[C@H](C)Oc1cccc(Cl)c1)C(=O)OC	279688923	FXOMDFGTELWFGE-JOYOIKCWSA-N	314.769	1.680	50	20	DDGD	
N#CC1=CCN(CC(=O)NC[C@H]2CCN(c3ccccc3)C2)CC1	272719027	ZAXZECCADRKZJW-QGZVFWFLSA-N	324.428	1.785	50	20	DDGD	
Cc1ccn2ncc(C(=O)NNC(=O)CC3CCCC3)c2c1	271124362	QKZSREAATFOJIC-UHFFFAOYSA-N	300.362	1.984	50	20	DDGD	
COC(=O)[C@H]1CC[C@H](C(=O)NNC(=O)NCc2ccco2)CC1	280844112	XQAZHZXAXRVIHK-XYPYZODXSA-N	323.349	1.089	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2[nH]ccc2C)c1	281718300	IBSUXGJZTNZZBL-UHFFFAOYSA-N	301.346	1.780	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@@H]1O[C@@H](C)C[C@H]1C	282270901	XHOQZEKRFRYBRT-JRPNMDOOSA-N	321.377	1.068	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc(OC(F)F)nc1	282718380	BTZDTPBFBRLHSY-UHFFFAOYSA-N	302.281	1.882	50	20	DDGD	
O=C(/C=C/c1cccnc1)NNc1nc(-c2ccncc2)no1	377598458	CLKNBTPBEDFXQP-ONEGZZNKSA-N	308.301	1.683	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(C(=O)NNc2cccc(F)n2)C1	286535469	IJARLQQJSCZMOG-UHFFFAOYSA-N	310.329	1.531	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NNc1nnc[nH]1	298287864	IDWLTSVBAZIRGH-SECBINFHSA-N	312.374	1.283	50	20	DDGD	
Cn1c(C(=O)NNC(=O)[C@H]2CCCCO2)cc(Cl)c1Cl	295300398	FBSWFQXBCWQQPC-SECBINFHSA-N	320.176	1.662	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-]	297089988	KNIHEBZYRMODLW-UHFFFAOYSA-N	314.273	1.049	50	20	DDGD	
COc1cccnc1CC(=O)NNc1nccnc1C1CCC1	805458843	BDIBUYNBUMAFII-UHFFFAOYSA-N	313.361	1.834	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cncs2)cc1OC	807258768	VQEUIHPAKGEYGW-UHFFFAOYSA-N	307.331	1.235	50	20	DDGD	
Cc1cc(F)ccc1NC(=O)C(=O)NNc1ncccc1F	807301830	JEUNYJJXZJPMRM-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2cncc(-n3ccnn3)c2)c1	801929661	SBWNPGPBTGRFDE-UHFFFAOYSA-N	305.301	1.291	50	20	DDGD	
CC(C)NC(=O)NC1(C(=O)NNc2ccncn2)CCCCC1	295757344	BOVMQLPFWPIJBR-UHFFFAOYSA-N	320.397	1.330	50	20	DDGD	
COc1cc(CCNC(=O)NNC(=O)[C@@H]2CCCO2)ccc1C	293002267	NIOUVXOUURRUJF-ZDUSSCGKSA-N	321.377	1.056	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CC1(Cl)Cl	808045129	CUZKEUUETASQFD-SSDOTTSWSA-N	313.181	1.117	50	20	DDGD	
O=C(NNc1ncccc1F)[C@@H]1C[C@H](c2ccccc2)OC1=O	809891647	VLPRWVHUHGQYKP-WCQYABFASA-N	315.304	1.968	50	20	DDGD	
Cc1cnc([C@H](C)CNC(=O)NNc2ncncc2F)s1	293084843	RQHIJEJEELBYNX-SSDOTTSWSA-N	310.358	1.810	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F)[C@H]1CCCCO1	295552118	MAHLXDNMQRSBIH-YRGRVCCFSA-N	324.327	1.785	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	299315596	NUTKQOKEMHMLDC-NEPJUHHUSA-N	324.352	1.722	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCC[C@H](c2nc(O)n[nH]2)C1	809384238	WIVHNIQBJJUDNZ-VIFPVBQESA-N	322.818	1.039	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)CC[C@@H]2CCCO2)cc1	802117609	WESFROZPHJACNX-AWEZNQCLSA-N	320.393	1.865	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCC2(OC)CCCC2)n1	296762624	IYGHDQSRRQQCDP-UHFFFAOYSA-N	309.370	1.379	50	20	DDGD	
Cc1nccnc1CCNC(=O)c1c(C)nn(CCCl)c1C	294568008	NBXMVIHCRQMQHC-UHFFFAOYSA-N	321.812	1.810	50	20	DDGD	
Cn1cncc1CC(=O)NNc1ccc(Br)nc1	806847365	OGIAADLPHHXOJH-UHFFFAOYSA-N	310.155	1.263	50	20	DDGD	
O=C(NNc1ncncc1F)[C@@H]1CCCN1Cc1ccccc1	293950143	IYOGUVPTNIDYGV-AWEZNQCLSA-N	315.352	1.723	50	20	DDGD	
CC(=O)NC1(C(=O)NNC(=O)c2ccccc2F)CCCCC1	298954568	LPYYYTIUWOWQJG-UHFFFAOYSA-N	321.352	1.426	50	20	DDGD	
O=C(NCCc1cccc([N+](=O)[O-])c1)NNc1cccc(F)n1	805234786	DGDNBUCBLCZPBR-UHFFFAOYSA-N	319.296	1.998	50	20	DDGD	
CON=CC(=O)NNC(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1	809723962	SUUJTVYQSFFMNJ-UHFFFAOYSA-N	315.333	1.087	50	20	DDGD	
C[C@@H]1CC(=O)N[C@H](C(=O)NNc2ncnc3ccsc23)C1	293310782	JHOJZCBMSDXBSU-CBAPKCEASA-N	305.363	1.049	50	20	DDGD	
C=C(CBr)CN1CC(=O)N(CCC(F)(F)F)C1	295186677	SNZAQAXNBLOPBH-UHFFFAOYSA-N	315.133	1.992	50	20	DDGD	
CC(C)c1nn(C)cc1C(=O)NNC(=O)NC1CCCCC1	298865698	SHYRNFRDMURKTO-UHFFFAOYSA-N	307.398	1.820	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCc2occc2C)cc1	291921505	RSXYDAZPTIXTBR-UHFFFAOYSA-N	317.345	1.806	50	20	DDGD	
O=C(O)COc1cccc(C=NNC(=O)[C@@H]2CCCS2)c1	819826520	KHMDUVFHMINTLZ-LBPRGKRZSA-N	308.359	1.496	50	20	DDGD	
O=C(NNc1ncncc1F)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41	817080776	DLRYIJUNPJFONK-DQASFRKVSA-N	300.337	1.453	50	20	DDGD	
O=C(NNC(=O)C1CCC(OC[C@H]2CCCO2)CC1)C1CCC1	815551732	GEPFSEWXGBOOTJ-YMAMQOFZSA-N	324.421	1.688	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)C1CCC1	813366683	PDDRFPLHWFGCOO-OKDIFOJXSA-N	320.433	1.901	50	20	DDGD	
Cc1nc2ccccc2n1CCC(=O)NNC(=O)CC1CC1	819114964	XZQFFQZXMTXRBA-UHFFFAOYSA-N	300.362	1.682	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C(C)C[C@H]2CCC(=O)N2)c1	811632600	VXGUDEDXRVZJAB-GFCCVEGCSA-N	319.361	1.478	50	20	DDGD	
COCC1(C(=O)NNc2oc(C(C)C)nc2C#N)CCOCC1	810263411	MELTWPXFWXZFKT-UHFFFAOYSA-N	322.365	1.556	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ncncc2F)ccc1F	815764223	XPOFETIRUZJBQI-UHFFFAOYSA-N	307.260	1.145	50	20	DDGD	
CSc1ncc(Cl)c(C(=O)NNC(=O)CC2CC2)n1	819131997	UWMMPZBHCBKSLZ-UHFFFAOYSA-N	300.771	1.413	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCc1ccc(Cl)c(C)c1	813177590	MQKCHYNVQVCZDJ-UHFFFAOYSA-N	313.785	1.558	50	20	DDGD	
N#Cc1ccc(SCC(=O)NNc2ncncc2F)cc1	817078769	TXHZKJOPTQNVRX-UHFFFAOYSA-N	303.322	1.723	50	20	DDGD	
Cc1nn(C)c(N)c1C=NNC(=O)[C@H](C)Oc1ccccc1F	814747646	YVERQFGCRSVCBC-JTQLQIEISA-N	319.340	1.367	50	20	DDGD	
Cc1csc(CC(=O)NN=C2CC[C@@H](C(=O)O)C[C@@H]2C)n1	814779851	SOPAHCJEDPWCMJ-WCBMZHEXSA-N	309.391	1.987	50	20	DDGD	
O=C(NC[C@H]1CN2CCC[C@H]2CO1)NNc1ccc(F)cc1	729618660	KZJYKIHNOXVKQK-KBPBESRZSA-N	308.357	1.315	50	20	DDGD	
CCc1nocc1C=NNC(=O)c1cncc(NC(C)=O)c1	814881910	ATHWRFBRLIIDSN-UHFFFAOYSA-N	301.306	1.354	50	20	DDGD	
CC(=O)N(CCC(=O)NNC(=O)C(C)C)Cc1ccccc1	726157483	PXXAEAYFEPPQBV-UHFFFAOYSA-N	305.378	1.229	50	20	DDGD	
Cn1cc(-c2cccc(NC(=O)NNC(=O)C(C)(C)C)c2)nn1	825697689	IYLBRQQVWDFNDB-UHFFFAOYSA-N	316.365	1.681	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC(c2ccsc2)CC1	828979552	RQDRLGSSWKUYST-UHFFFAOYSA-N	309.435	1.731	50	20	DDGD	
C[C@H]1CC[C@H](C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	824898175	DPZHWKBFFCZJRB-CABZTGNLSA-N	314.349	1.064	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NNc2ccnc(F)c2)cc(C#N)n1C	490838870	BQKWGLBNTBLSDT-XGICHPGQSA-N	324.319	1.790	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccc(C(=O)N(C)CC)c1	497130558	LQJULCIOYCOMHA-UHFFFAOYSA-N	308.338	1.561	50	20	DDGD	
C/C=C(\CC)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C	492742316	BYBIRTQPQZPMGT-UXBLZVDNSA-N	314.386	1.198	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)s1	826384237	MLMQLWOGYIGPEO-UHFFFAOYSA-N	311.330	1.557	50	20	DDGD	
C[C@H](NC(=O)c1cccs1)C(=O)NNC(=O)OC(C)(C)C	490615729	FLOXKKQEIKBBGD-QMMMGPOBSA-N	313.379	1.422	50	20	DDGD	
COc1ccc2c(O)nn(S(=O)(=O)CCCCCl)c2c1	821102555	NEGNXFMFBKULPD-UHFFFAOYSA-N	318.782	1.947	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NC[C@@H]1C[C@H]1C1CCC1	823770464	VWQOOGXDTHHTKV-KBPBESRZSA-N	302.378	1.391	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H](c1ccccc1)N1CCSCC1	823852395	GQBXIJDKOKYBON-OAHLLOKOSA-N	323.462	1.122	50	20	DDGD	
Cc1nc2c(s1)CCC[C@@H]2CNCc1ccc(B(O)O)cc1	585038587	CJRIDGHZQVVVBJ-CYBMUJFWSA-N	316.235	1.341	50	20	DDGD	
CC(=O)N[C@@H](CCC(C)C)C(=O)NNc1nc(C)cc(C)n1	820523407	KFFHGLBXXDFGRI-ZDUSSCGKSA-N	307.398	1.477	50	20	DDGD	
Cc1ccc(OCC(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1	826292025	FQMPGRBSLFPORR-UHFFFAOYSA-N	324.344	1.697	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(F)c(C(=O)NNC(=O)C2CCC2)c1F	827215681	AYGVHGINHGSFHV-UHFFFAOYSA-N	313.260	1.743	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)Cc2cc(C)[nH]n2)cc1C	901162576	CMELEJAUZVNNPA-UHFFFAOYSA-N	314.345	1.506	50	20	DDGD	
Cc1cc(OC(F)F)c(C(=O)N2CC[C@@H](B(O)O)C2)s1	585071072	LYTCIQSFQTYREQ-SSDOTTSWSA-N	305.111	1.347	50	20	DDGD	
CCc1nn(C)c(Cl)c1C=NNC(=O)NCCCOC	734747754	DQTSHSSXEAPHIC-UHFFFAOYSA-N	301.778	1.306	50	20	DDGD	
COc1ncc(/C=C\C(=O)NNc2c(F)cccc2F)cn1	492648758	LNCIXTJEKBPZPN-WAYWQWQTSA-N	306.272	1.920	50	20	DDGD	
Cc1cc(C=NNC(=O)CCCNC(=O)OC(C)(C)C)no1	496787542	VDEPFERHIKMZMK-UHFFFAOYSA-N	310.354	1.738	50	20	DDGD	
COCCOc1ccc(NCc2ccc(B(O)O)cc2)cc1	585012381	WMFSWQSHOWBMOB-UHFFFAOYSA-N	301.151	1.004	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)[C@]2(C)C[C@H]2Br)[C@@H]1OC	907386328	TXCJNNYMSIYJEX-TYCYOEEFSA-N	306.200	1.469	50	20	DDGD	
C[C@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)OC1CCCC1	491101823	GEYRSNVXFZDRNX-HKMIMPICSA-N	316.361	1.318	50	20	DDGD	
CN(C)Cc1ccc(NCc2ccc(B(O)O)cc2F)cc1	585012268	FVKDNBHWSSQZDY-UHFFFAOYSA-N	302.158	1.179	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc(O)ccc1C	908065342	DKLMULWCMSRWIE-UHFFFAOYSA-N	310.350	1.251	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cnc(NC2CC2)s1	900935124	SRUGYOJLDZEIRL-UHFFFAOYSA-N	317.374	1.116	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H](C)C[C@H](C)N)cc1C	831197765	TZNXMAHEHQBNLM-QWHCGFSZSA-N	322.409	1.138	50	20	DDGD	
Cc1c(C(=O)NNc2cccnn2)cnn1Cc1ccccc1	736697988	SRTAGPAXLTYAIO-UHFFFAOYSA-N	308.345	1.787	50	20	DDGD	
C[C@]1(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C[C@@H]1Br	906901783	YNCJCESMJKVIPQ-DXBFQKDVSA-N	301.184	1.039	50	20	DDGD	
N#Cc1cc(F)c(N2CC[C@H](B(O)O)C2)cc1Br	585078729	KOHJTGADILVZON-QMMMGPOBSA-N	312.935	1.513	50	20	DDGD	
C=C(CBr)CN1CCS(=O)(=O)C[C@H]1C1CC1	831386922	UOHJIGYSCRFHBQ-NSHDSACASA-N	308.241	1.447	50	20	DDGD	
CCCCn1ncc(NC(=O)c2ccc(B(O)O)cc2)c1CC	584982923	NQDFTLYVWBHOCE-UHFFFAOYSA-N	315.182	1.178	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2cccc(OCC#N)c2)ccn1	731561893	BXRWGNLGNZPZAF-UHFFFAOYSA-N	323.356	1.814	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1C(=O)Nc2cc(F)ccc21	730552165	YYUJARBNSATWCE-UHFFFAOYSA-N	306.341	1.330	50	20	DDGD	
CCCN(CCc1cccs1)[C@H](C)C(=O)NNC(=O)CC	839559126	WALVOIYWCDPIBO-GFCCVEGCSA-N	311.451	1.949	50	20	DDGD	
Cc1[nH]ccc(=NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1Cl	831620586	DYGQYOMWDJTJTD-BDAKNGLRSA-N	312.757	1.043	50	20	DDGD	
Cc1nonc1CNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	736141806	DKQJUDBSAQJKCI-QCDXTXTGSA-N	310.317	1.120	50	20	DDGD	
Cc1cn(C)nc1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	839462842	RLDKZDRUWNNLES-SNVBAGLBSA-N	320.324	1.096	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccccc1NC(=O)C(C)(C)C	910167770	KCLITIPRLVUAMP-LLVKDONJSA-N	307.394	1.629	50	20	DDGD	
COc1nc(C)cc(C)c1CNC(=O)NNc1ccncn1	836270558	DQYLSZXVDWSASQ-UHFFFAOYSA-N	302.338	1.323	50	20	DDGD	
CC(C)n1cc(Br)cc1C(=O)NN(C)C[C@H](C)O	910164384	XTFSDIRDOCGOAC-VIFPVBQESA-N	318.215	1.789	50	20	DDGD	
O=C(NN=CC[C@H]1CCCCC12OCCO2)[C@@H]1CCCCO1	834984834	COLSFBNSPPAEAK-KGLIPLIRSA-N	310.394	1.981	50	20	DDGD	
Cc1ccc([C@@H](C)C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)o1	744354520	GMCPWPYXLMOLPL-VXGBXAGGSA-N	314.407	1.184	50	20	DDGD	
CC(C)(C)c1ccc(CC(=O)NNC(=O)c2ncon2)cc1	832825708	FCQNUPPCCNHIAV-UHFFFAOYSA-N	302.334	1.371	50	20	DDGD	
COc1ccccc1SCC(=O)NN=C1CCN(OC)CC1	834965891	AYABKWVBUBIYKQ-UHFFFAOYSA-N	323.418	1.917	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CC(=O)NNc1cccc(C#N)c1	748048082	CNPJVTBKGHNSKN-UHFFFAOYSA-N	300.278	1.115	50	20	DDGD	
N[C@@H]1CCC[C@@H](NC(=O)NNC(=O)c2c[nH]c3ccccc23)C1	841981808	JVKLTNHWOAXLRZ-GHMZBOCLSA-N	315.377	1.382	50	20	DDGD	
N#Cc1csc(C=NNC(=O)CNC(=O)c2cccs2)c1	748076406	UQHMJGBYHYNZBX-UHFFFAOYSA-N	318.383	1.561	50	20	DDGD	
CCN(C(C)=O)c1nc(C=NNC(=O)CC(F)(F)F)cs1	917550360	GOSKCJQISMOQIL-UHFFFAOYSA-N	322.312	1.918	50	20	DDGD	
O=C(NNc1cc(F)ccc1Br)[C@@]1(O)CCOC1	840530955	DCAHPMBGONNQIZ-LLVKDONJSA-N	319.130	1.183	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1nc(Cl)sc1Cl	848237170	UMMYPZLMVIHTQT-RFZPGFLSSA-N	324.189	1.636	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(-c2ccccc2Cl)on1	910171621	ZNKXHRDWBZIJNV-SECBINFHSA-N	309.753	1.952	50	20	DDGD	
O=C(/C=C/Sc1ccccc1)NNC(=O)CN1CCCC1=O	913730458	WCQWFXOFLQQPMM-CSKARUKUSA-N	319.386	1.062	50	20	DDGD	
CN1C(=O)C(=NNC(=O)CNc2ccccc2)c2ccccc21	915917825	LIZCGHNLIFKXAH-UHFFFAOYSA-N	308.341	1.595	50	20	DDGD	
CN(C)C(=O)[C@@H]1CCN(C(=O)[C@@]2(C)C[C@@H]2Br)C1	910424201	LXZMRRGBZXMRNI-PTRXPTGYSA-N	303.200	1.097	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1c(F)cccc1Br	910164090	SIODBTGQLIRXIX-ZETCQYMHSA-N	305.147	1.546	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccn(C)n1	841611355	QNOVMGJUWKZDEK-LLVKDONJSA-N	304.325	1.867	50	20	DDGD	
CCn1cncc1C=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1	841614585	MYEOYVFKEJVTLY-MGPQQGTHSA-N	321.425	1.098	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2	845598850	RTKDVGITOKNEGS-NTZNESFSSA-N	307.394	1.041	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H]1CCCN(C)C1=O	748581661	OUAGUYICVXYZML-LLVKDONJSA-N	312.801	1.089	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNC(=S)NCC2CCC2)s1	740109902	KZHNRXQXHRDHNR-UHFFFAOYSA-N	313.404	1.355	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ncc(Br)cn1)N(C)C	848319885	FGQGCEXICRIVIV-VIFPVBQESA-N	316.203	1.268	50	20	DDGD	
CCOCC(=O)NN=C(C)c1ccc(NC(C)=O)cc1OC	747751626	OYRLOZXJULYQCR-UHFFFAOYSA-N	307.350	1.530	50	20	DDGD	
Cc1cccc(CSCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	843648749	RIUSLEPXVZPLHG-OCCSQVGLSA-N	322.430	1.801	50	20	DDGD	
CC1(NC(=S)NNC(=O)CCc2ccccc2O)CCC1	840726321	MPPGKRNWTWWIOL-UHFFFAOYSA-N	307.419	1.763	50	20	DDGD	
C[C@@H]1COC[C@H]1NC(=O)NNC(=O)CCCc1ccccc1	926005722	XCSWEKYJBDBZOR-TZMCWYRMSA-N	305.378	1.375	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2COCCO2)cc1C	745173063	DLSIOYCZNCHEAI-LBPRGKRZSA-N	309.391	1.036	50	20	DDGD	
CCSc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)ccn1	843645989	HLCZRIWPOUBWEW-GXSJLCMTSA-N	309.391	1.380	50	20	DDGD	
CC(=O)NNC(=O)c1n[nH]c(-c2ccccc2)c1Br	920864954	LJARWHAZPBYZKU-UHFFFAOYSA-N	323.150	1.620	50	20	DDGD	
Cc1ncc2n1C[C@@H](C(=O)NNC(=O)NC1CCCCC1)CC2	845079768	PJYFGWNDONCPMK-LBPRGKRZSA-N	319.409	1.417	50	20	DDGD	
CN(C(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)[C@H]1CCNC1	846664796	CPBWFZGUBFDFMC-MEWQQHAOSA-N	301.228	1.760	50	20	DDGD	
CCOC1CC(C(=O)NNc2ccc(CC(=O)OC)cc2)C1	846375331	ANVYKPAISPWHCT-UHFFFAOYSA-N	306.362	1.660	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(-c2cc(O)nc(C)n2)cc1	920836534	HDPXCMAHPWSLMP-UHFFFAOYSA-N	301.306	1.330	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)[C@H]1CCS(=O)(=O)C1	928336424	NSOGEXNGQTWIDR-VIFPVBQESA-N	302.783	1.526	50	20	DDGD	
Cc1ccc(NNC(=O)NCCCC(=O)NC2CC2)cc1F	853404124	GRDMJXCIXJLYKH-UHFFFAOYSA-N	308.357	1.819	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cc(C(F)(F)F)n[nH]1)C1CC1	855097369	ORVJITCGYQBWAU-YFKPBYRVSA-N	321.328	1.336	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1csc([C@@H]2CCCO2)n1	756130346	LNVSQYJYISKQPZ-ZETCQYMHSA-N	323.296	1.708	50	20	DDGD	
C[C@@H](C(=O)NNC(=S)N[C@@H](C)C1CC1)C(=O)OC(C)(C)C	855094887	GTYOSYVWGLAORE-IUCAKERBSA-N	315.439	1.258	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@@H]3COC[C@@H]32)C[C@@H]1Br	856892300	DPJLXXUCRXCLSP-MPPDQPJWSA-N	317.227	1.980	50	20	DDGD	
COc1cc(C)ccc1NC(=O)NNC(=O)c1ccccn1	756181368	MYKBBZUGNHJRFB-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
CCCNC(=O)NNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12	921040791	FXXDWPISKHDJOO-UHFFFAOYSA-N	305.294	1.430	50	20	DDGD	
CSSCCNC(=O)NCC(C)(C)[C@@]1(O)CCCOC1	854051845	ZSHSLIVYASSZLY-CYBMUJFWSA-N	322.496	1.865	50	20	DDGD	
Cn1ncc(C(=O)OC[C@@H](CBr)C2CC2)c1N	859578219	ORMPXSUOOZXBIS-MRVPVSSYSA-N	302.172	1.580	50	20	DDGD	
CO[C@H](C)CNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	852398450	CONPNPFVGRWVMX-LLVKDONJSA-N	307.394	1.963	50	20	DDGD	
C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(B(O)O)cc1	928379458	IWAGTYCBJWYNQG-KSSFIOAISA-N	323.201	1.775	50	20	DDGD	
CCCNC(=O)NN=Cc1cc2c(cc1[N+](=O)[O-])OCCO2	920987995	BMZPLQCLDUNLND-UHFFFAOYSA-N	308.294	1.409	50	20	DDGD	
C=C[C@H](CC)CC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	929381366	JDTOJXVOFMCNKX-GFCCVEGCSA-N	303.362	1.683	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)c1cccc(OC(F)F)c1	755287783	MNHICXKQFPLOSW-SECBINFHSA-N	316.304	1.722	50	20	DDGD	
O=C(NNC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)c1cc[nH]n1	855357878	SUGOIKHMYGSXKY-OAAXVMEWSA-N	306.341	1.479	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)NCCc2cccs2)O1	756922547	SKKFNFMXAMQASS-ZYHUDNBSSA-N	311.407	1.579	50	20	DDGD	
CC(C)OC(=O)CCNC(=O)NC[C@]1(C)C[C@H]1Br	856818835	UOTZVNOWBIOJSC-SKDRFNHKSA-N	321.215	1.801	50	20	DDGD	
O=C(NN=Cc1cc(O)c(O)c(Br)c1)c1ccc[nH]1	757567866	GBYJPAGPHMVVOZ-UHFFFAOYSA-N	324.134	1.952	50	20	DDGD	
CC(C)N(C)C[C@H](C)NC(=O)NNc1ncc(Cl)cn1	856905635	WUDRDGKPKJGFFC-VIFPVBQESA-N	300.794	1.485	50	20	DDGD	
C[C@]1(CNC(=O)NCCN2CCCC2=O)C[C@@H]1Br	856921113	MNTCTOJJKCZRBE-JOYOIKCWSA-N	318.215	1.082	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2cc(C(F)(F)F)n[nH]2)n1	857486691	QAECSQNHWBPMPE-UHFFFAOYSA-N	321.650	1.211	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H](C)C[C@@H]2CCOC2)c1	858299445	WENJRYNINJPZHI-MNOVXSKESA-N	311.407	1.816	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1nc(Cl)ccc1F)C1CC1	759812646	YAKMMLCUWOZPHA-ZCFIWIBFSA-N	316.789	1.782	50	20	DDGD	
CCCc1csc(NC(=O)NNC(=O)c2c[nH]nc2C)n1	757924161	XOAAAKYXDWATRG-UHFFFAOYSA-N	308.367	1.594	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)Nc1cccnn1	757661906	VBPIWFFNLOYJIL-SECBINFHSA-N	319.296	1.236	50	20	DDGD	
CC(C)N1CCC[C@@H]1C(=O)NNC(=O)C(C)(C)c1ccccc1	932373373	WHUWJJFAHQCJNP-OAHLLOKOSA-N	317.433	1.984	50	20	DDGD	
CN1CCCC[C@H](CNC(=O)/C(C#N)=C\c2cnn(C)c2)C1	862795312	JMVBILYBIJFXON-QVYJARAXSA-N	301.394	1.175	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)C2=CCCC2)cc1	761566253	ZTGYEXXCQQJDTQ-UHFFFAOYSA-N	302.330	1.410	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)NCc1c(C)cccc1C	767199771	JGHXUGPYAWXCNF-ZDUSSCGKSA-N	323.393	1.185	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)ns1	766323058	JBPOUINUHLURCU-LBPRGKRZSA-N	319.342	1.053	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN1C1CCCC1)c1ccccc1F	862467634	PIZAPYAHQOOVCR-CQSZACIVSA-N	305.353	1.604	50	20	DDGD	
COc1ccc(NNC(=O)C2SCCS2)c([N+](=O)[O-])c1	761958462	XKEUUYWPMQUWFQ-UHFFFAOYSA-N	315.376	1.853	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)C(=O)Nc1ccccc1	862103383	HHJHSCQVBSNBFI-UHFFFAOYSA-N	311.210	1.444	50	20	DDGD	
CCCOc1ccc(NC(=O)C(=O)NNC(=O)OCC)cc1C	861806834	OVWAKJLSEMFUOQ-UHFFFAOYSA-N	323.349	1.500	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](C)Cn2ccc(C)n2)n1	866295038	ZATDBDJLYWIQKZ-SECBINFHSA-N	304.354	1.078	50	20	DDGD	
Cc1cc(CNC(=O)NNc2ccccc2S(C)(=O)=O)no1	765695270	XNRSWCGHAGQGSZ-UHFFFAOYSA-N	324.362	1.213	50	20	DDGD	
Cc1ccc(CNC(=O)NNC(=O)c2cccc(N(C)C)c2)o1	868969773	ORVJYUCRURJFNJ-UHFFFAOYSA-N	316.361	1.798	50	20	DDGD	
CC(=O)N1CCN(S(=O)(=O)CC(C)(C)CCl)[C@H](C)C1	866966333	DDCUONJMHWXFKO-SNVBAGLBSA-N	310.847	1.134	50	20	DDGD	
CCOC(=O)[C@@H](Cc1ccc(F)cc1)NNC(=O)c1ccc[nH]1	863369014	VGAVFFDLYPAYMM-CQSZACIVSA-N	319.336	1.563	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C1CC(O)(c2cccc(Cl)c2)C1	861841841	XNIQBJSXERTKQC-UHFFFAOYSA-N	322.792	1.885	50	20	DDGD	
CNc1ncnc2cc(C(=O)NN[C@H](C)C(F)(F)F)ccc12	862321919	CGNRVCAUAMVTIR-SSDOTTSWSA-N	313.283	1.857	50	20	DDGD	
C[C@H](NS(=O)(=O)CC(C)(C)CCl)c1nnnn1C1CC1	867187006	VXTZVCYDQISYAG-QMMMGPOBSA-N	321.834	1.253	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1	861734630	HCUQNSPBUDVCTF-QMMMGPOBSA-N	319.192	1.035	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNc2ccccc2S(C)(=O)=O)CCC1=O	764219668	QNKQAPOYJKZTTG-WDEREUQCSA-N	324.402	1.539	50	20	DDGD	
C[C@H](CN1CCCC1=O)NC(=O)[C@H](Br)C(C)(C)C	767305892	RBGXQTVWYOPZGG-KOLCDFICSA-N	319.243	1.923	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cc(Cl)c(C)cc1Cl	763440448	FSLGIRJIUPZWML-UHFFFAOYSA-N	318.160	1.798	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCc1ccc(F)cn1	764375663	QFWBQRRYCWSKBF-UHFFFAOYSA-N	302.309	1.673	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1CCO[C@H](c2cnn(C)c2)C1	1117775411	PSQKVEYKRXLFAI-ZICGXABRSA-N	304.350	1.200	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21	875402220	PAGXBEGOCZBJLP-HZSPNIEDSA-N	311.345	1.082	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CCC(C)(F)F	772018833	BTRFPDVTLXOPCI-SECBINFHSA-N	308.325	1.547	50	20	DDGD	
Cc1cc(=NNC(=O)NCCN(C)Cc2ccccc2)cc[nH]1	875139572	CZEHZORZKLYTGW-UHFFFAOYSA-N	313.405	1.570	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cc([N+](=O)[O-])cn1C	772815753	MGLGKNSEJUTIMJ-UHFFFAOYSA-N	304.310	1.604	50	20	DDGD	
CC[C@@H](CO)C(=O)NNC(=S)Nc1cccc(Cl)c1	873787224	XSSAMVWJFUBTMM-QMMMGPOBSA-N	301.799	1.676	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC1(C(F)(F)F)CCC1	879380888	AFKAEEUHLUTZLB-JGVFFNPUSA-N	309.288	1.227	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3ccncn3)n[nH]2)cc1	778499635	FJANPZAZEXOQDX-UHFFFAOYSA-N	322.328	1.250	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)OC[C@@H](C)CBr	770400897	VLKYAEAEGQVNHF-ONGXEEELSA-N	306.200	1.962	50	20	DDGD	
CON(C)C(=O)c1ccc(NC(=O)NNc2ccccn2)cc1	779050954	ZZGGPMDFHHYCGF-UHFFFAOYSA-N	315.333	1.864	50	20	DDGD	
CC(=O)NCc1ccc(NC(=O)NNc2ncccn2)cc1	775619100	AVNAQMGVHDRAKS-UHFFFAOYSA-N	300.322	1.261	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1nc(C)c(C)s1	770460286	XNUVKIKPEQWNCC-UHFFFAOYSA-N	305.359	1.843	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C2(C)CCOCC2)nc1C	778421893	SIBMHXDXLLXGDJ-UHFFFAOYSA-N	322.365	1.222	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccn(C(F)F)n2)c1	775714577	UAELAOSMYWEKKN-UHFFFAOYSA-N	305.244	1.225	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2CC[C@H]3C[C@H](C)CN3C2)n1	1123685275	UGTBZXNDAQNXNU-XQQFMLRXSA-N	304.394	1.654	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cnc2ccsc2c1	772157378	CMIOEEUFCFVQKU-QMMMGPOBSA-N	321.358	1.399	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)N2CCCCCC2)nc1C	883101199	YRBNACCRIPDHBX-UHFFFAOYSA-N	321.381	1.874	50	20	DDGD	
N#Cc1ccc(NNC(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]23)nc1	888576779	JEJQQZXMUGWMAO-YNEHKIRRSA-N	301.350	1.537	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2ccn(C(F)F)n2)c1	775641784	BSSIYNOOSZULEK-UHFFFAOYSA-N	323.303	1.419	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cccc(N2CCCC2=O)c1	782548733	APVCBJCMOJNSFM-UHFFFAOYSA-N	304.350	1.622	50	20	DDGD	
C[C@@]1(c2ccccc2)C[C@H]1NC(=O)NNC(=O)c1cccnn1	883458706	UQFDOMAIQXCBIL-CJNGLKHVSA-N	311.345	1.151	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccc(Cl)nn2)c(C)n1	782853112	FNCJSKSXYPHGGE-UHFFFAOYSA-N	310.745	1.038	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC2(C1)OCCO2	781083553	IOVALCXEBYTSOF-SECBINFHSA-N	306.200	1.771	50	20	DDGD	
Cc1c(NNC(=O)NC[C@@H]2COC(C)(C)O2)cccc1[N+](=O)[O-]	783286251	HPMXYZITXXFQHY-SNVBAGLBSA-N	324.337	1.681	50	20	DDGD	
CC(=O)NCC[C@@H]1CCCN(S(=O)(=O)CCCCl)C1	882198634	ZRZYXIBHUJNFMM-LBPRGKRZSA-N	310.847	1.183	50	20	DDGD	
C[C@@H]1CCCC[C@H]1C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	783832524	RBEXFOMBTZRHQN-GRYCIOLGSA-N	301.412	1.285	50	20	DDGD	
N#CC1=CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1	780687979	SKEYWZIKHXFNQK-KRWDZBQOSA-N	310.401	1.976	50	20	DDGD	
CSC1(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)CCC1	787240899	CTBCTJRPXYIUDJ-JTQLQIEISA-N	316.423	1.397	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNC(=O)C1CCC1)c1ccnn1C	788110580	NCVANEXOHSEAKN-GFCCVEGCSA-N	307.398	1.290	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=S)NC(C)(C)C)cc1O	899996567	YFKFIVCKDUGEOV-SOFGYWHQSA-N	323.418	1.708	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@H]2CCCCN12)c1ccccc1F	899937055	MQHVWPKATUVOMS-RISCZKNCSA-N	305.353	1.604	50	20	DDGD	
Cc1cc2c(cc1NC(=O)C(=O)NNc1ccccn1)OCO2	784791254	FYYMCSNZLJNIAB-UHFFFAOYSA-N	314.301	1.201	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccccc1Cn1cncn1	785846116	LKNFJSWPRAWTHY-UHFFFAOYSA-N	317.353	1.024	50	20	DDGD	
CCc1ncsc1NC(=O)NNC(=O)c1cccc(C)n1	797637369	OVZBIEMUMAIXCL-UHFFFAOYSA-N	305.363	1.875	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)no1	895508230	DIIGXIJYXWIZSQ-VIFPVBQESA-N	321.308	1.605	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1)[C@H](C)O	790070471	UAAWAERECZZFSG-CMPLNLGQSA-N	316.361	1.245	50	20	DDGD	
C=C(CBr)COC(=O)CC[C@@]1(C)CCC(=O)N1	795581158	YQJCYHHCUVURDJ-GFCCVEGCSA-N	304.184	1.930	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)N2CCN(C)CC2)C[C@H]1C	790179044	QPDCWZWVBKRPDW-OCCSQVGLSA-N	324.425	1.299	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)CCc1ccccc1[N+](=O)[O-]	796110468	CYGJZSCXKHDORK-LLVKDONJSA-N	322.365	1.015	50	20	DDGD	
O=C(Cc1ccccc1F)NN=C1CC(=O)N2CCCC[C@H]12	799479724	DIKMAIMTQIOVTF-CQSZACIVSA-N	303.337	1.625	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	792812918	LLCSDPDNADDTQX-YGRLFVJLSA-N	324.377	1.526	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cccc(C#N)c1)CC1CCC1	796535324	YWINPNRPSIGPTD-UHFFFAOYSA-N	314.389	1.441	50	20	DDGD	
CCOc1ccc([C@@H]2C[C@H]2NC(=O)NNC(=O)C(C)C)cc1	798082511	UPXOVWFHLBVOOT-UONOGXRCSA-N	305.378	1.928	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C1CCCC12CCOCC2	799877853	JSJLKMSBQHDLED-UHFFFAOYSA-N	319.361	1.462	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H](C)NC(=O)C1CCCCC1	791222332	GHXHFGFBTJUXKO-LBPRGKRZSA-N	304.394	1.918	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1ccnc(F)c1	794906058	NSSBUBXVQNFONN-UHFFFAOYSA-N	304.281	1.084	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CC(F)(F)F)c(-c2ccoc2)n1	790557855	RCQSIPIRACRTMC-UHFFFAOYSA-N	316.239	1.394	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cccc(C[S@@](C)=O)c1	1317726312	PSSDIPGIDCSCHS-HXUWFJFHSA-N	313.448	1.082	50	20	DDGD	
Cc1c(NC(=O)C(=O)NNc2ccccc2)cccc1C(N)=O	1320046248	GKMQJFQDTAGSHY-UHFFFAOYSA-N	312.329	1.176	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ccc(C)nn2)cc1F	1320562394	OEKUZNRDBKJIRH-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2c3ccccc3nn2C)n1	1321251362	RAAUPMHOGVWQOR-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
Cc1cnn(CC2CC2)c1NC(=O)NNC(=O)[C@@H]1CCCCO1	1324584374	YONLOUZNHDJJSY-LBPRGKRZSA-N	321.381	1.323	50	20	DDGD	
CN(C)Cc1cc(C(=O)NNC(=O)Nc2ccccc2)no1	1325262570	ORVNVOTYLZWGLH-UHFFFAOYSA-N	303.322	1.203	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NC2CCCC2)c(C(F)(F)F)c1	1325488778	FUQAWZYBRIVSNY-UHFFFAOYSA-N	318.299	1.931	50	20	DDGD	
CC(C)NC(=S)NNC(=O)Cc1ccc(F)cc1[N+](=O)[O-]	1329616124	RTKUSXJTVURXSY-UHFFFAOYSA-N	314.342	1.180	50	20	DDGD	
COc1c(C(=O)NNc2cc(C)ncn2)cnn1-c1ccccc1	1321318408	GMQXJMZUQKISOW-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NN=Cc2cccn2C2CC2)c1	1324609939	GTSLAYCTNOOFTM-UHFFFAOYSA-N	311.345	1.940	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1c[nH]nc1-c1ccccc1	1252172383	JWICNJQRDOJZHI-UHFFFAOYSA-N	303.391	1.594	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C\c1c(Cl)nc(OC)n1C	1338739782	LRCJOEOMSUNVLR-VURMDHGXSA-N	303.771	1.771	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	1349068736	MPTKCMQPEBSNHL-OCCSQVGLSA-N	305.378	1.293	50	20	DDGD	
NC1(CNC(=O)NNc2ccc(Br)c(F)c2)CC1	1346666490	ZIAMKRNENFRLEO-UHFFFAOYSA-N	317.162	1.706	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1nc(C2CC2)cs1)C1CC1	1350067271	OYKROFYABOTELA-ZETCQYMHSA-N	310.448	1.928	50	20	DDGD	
O=C(O)CC[C@H]1C[C@H](C(=O)NNc2cccnc2Cl)CO1	1606111886	PSZHQBUVVRXZKE-IUCAKERBSA-N	313.741	1.448	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1ccc(-c2nn[nH]n2)cn1	1466977272	IRVZRWOFYAFGQK-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
C[C@H](CC(=O)O)CC(=O)NNC(=O)c1ccc2ccccc2n1	1604105741	DIAYJOFYSBZRSZ-JTQLQIEISA-N	315.329	1.497	50	20	DDGD	
CC(C)[C@@H]1C[C@@H]1C(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1603751459	HWBPUDFWAGTNPJ-QWRGUYRKSA-N	311.407	1.872	50	20	DDGD	
O=C(O)CNC(=O)NN=C(COC(F)(F)F)c1ccccc1	1602071156	DMIOJFDTLSJIHB-UHFFFAOYSA-N	319.239	1.311	50	20	DDGD	
CCc1nnc(C(=O)NNc2ccc(F)c(C(=O)O)c2)s1	1605868835	ZDCZDHRIEZEBSB-UHFFFAOYSA-N	310.310	1.695	50	20	DDGD	
NCCCCCCNC(=O)NNc1ccc(C(=O)O)c(F)c1	1601186794	JJJMZSRKTLJSBQ-UHFFFAOYSA-N	312.345	1.669	50	20	DDGD	
O=C(COCC(F)(F)F)NNc1cccc(C(=O)O)c1F	1601337281	RYUQPPSCWBIZLR-UHFFFAOYSA-N	310.203	1.546	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)OC(C)(C)C)C(=O)O	1603536870	PDYWNDSCTYTFFW-UHFFFAOYSA-N	303.359	1.616	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@H]2CCc3c[nH]nc3C2)c1F	1608936024	USPVSXZHWQNSFA-QMMMGPOBSA-N	318.308	1.495	50	20	DDGD	
CC[C@@H]1[C@@H](C(=O)NNc2cccc(C(=O)O)c2F)CCN1C	1605754154	HAWOPPNQEOQLAF-JOYOIKCWSA-N	309.341	1.697	50	20	DDGD	
Cn1c(=NNC(=O)c2ccc(C(=O)O)[nH]2)sc2ccccc21	1610594776	UNVQNRPDAOEFKS-UHFFFAOYSA-N	316.342	1.512	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H](O)C2CCCCC2)c(F)c1	1610835740	RYKUWTWEEKMZRW-CYBMUJFWSA-N	310.325	1.908	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1cc(C(=O)O)cs1	1610699695	AMNGMUYNWUTHGL-UHFFFAOYSA-N	306.303	1.308	50	20	DDGD	
CC[C@@H](CNC(=O)NNc1nc2cccnc2s1)C(=O)O	1573797768	CYBLKKOLSCBNOF-ZETCQYMHSA-N	309.351	1.428	50	20	DDGD	
Cc1cccnc1Oc1ccc(C(=O)NNC(=O)CCN)cc1	1579809447	ZOWLVTGISHXBAR-UHFFFAOYSA-N	314.345	1.292	50	20	DDGD	
C[C@]1(C(=O)NNc2c(F)cc(F)cc2F)C[C@H](N)CCO1	1576349765	ICGIIZURJXEFAN-AMIZOPFISA-N	303.284	1.443	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)c2ccno2)C1	1842438061	WDRNWVGIKZITHX-VIFPVBQESA-N	301.705	1.026	50	20	DDGD	
C[C@@H](CN)C(=O)N1CC2(CCCN2C(=O)C(C)(C)CCl)C1	1841225709	AUYIYADWKBFECB-NSHDSACASA-N	315.845	1.050	50	20	DDGD	
Cn1cccc1C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1842362660	OKKXFEZCMOSZNO-LLVKDONJSA-N	313.760	1.377	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@H](C(=O)O)C(C)C)cc1	1593854512	IYIFFVOMGJIKET-CYBMUJFWSA-N	308.334	1.202	50	20	DDGD	
CCCN1CCCC[C@@H]1C(=O)NNc1ccc(C(=O)O)cn1	1595909355	IHNSXCSEOVTVRT-GFCCVEGCSA-N	306.366	1.487	50	20	DDGD	
COc1ccc(NNC(=O)/C=C/c2ccc(C(=O)O)o2)nc1	1594105196	GXEFHKIMYLCVMR-QPJJXVBHSA-N	303.274	1.538	50	20	DDGD	
CCCc1ccc([C@H](NC(=O)NNC(=O)C(=O)O)C(C)C)cc1	1596063118	QEVMXSRJJZYYBK-CYBMUJFWSA-N	321.377	1.751	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1C[C@H](C(=O)O)Oc2ccccc21	1596864306	UVEXGIXHNWRZQA-WTNCMQEWSA-N	302.286	1.309	50	20	DDGD	
CC(C)c1ccc2c(c1)[C@H](NC(=O)NNC(=O)C(=O)O)CCC2	1591980626	IPDVYQZBCWXEGV-CYBMUJFWSA-N	319.361	1.602	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2ccc(C(=O)O)cc2F)CCN1	1594258511	VHFHHZUODCHPNN-WCBMZHEXSA-N	310.329	1.291	50	20	DDGD	
CC(=NNC(=O)c1ncon1)c1cccc(O[C@H](C)C(=O)O)c1	1776106196	UJMMTAFGDOJOAR-SECBINFHSA-N	318.289	1.076	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncc[nH]1)[C@@H](F)Cl	1794834913	JRGVBUYPHXLOBA-UTINFBMNSA-N	314.748	1.196	50	20	DDGD	
O=C(NCCC1CCC1)NNc1ccc(-n2cccn2)nn1	152029291	PVFYCWQDVNMBMX-UHFFFAOYSA-N	301.354	1.479	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)COc1cc(C)ccc1C	155021080	ADJRFLXIKWEDRZ-UHFFFAOYSA-N	317.389	1.816	50	20	DDGD	
COc1ccc(NNC(=O)NCc2nccn2C(F)F)nc1	157511018	IYYXEYSSJLASDJ-UHFFFAOYSA-N	312.280	1.508	50	20	DDGD	
CCc1ncsc1C(=O)NNC(=O)NCCc1cccs1	157527467	IOJNSEDKIVRLGY-UHFFFAOYSA-N	324.431	1.954	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cc2c(cc1F)NC(=O)CC2	157546242	RBYCWIOXIMICKY-UHFFFAOYSA-N	308.313	1.063	50	20	DDGD	
CCCOc1ccc(NC(=O)NNC(=O)CN(C)C)c(C)c1	157648799	WHDMRRYLNMEQGC-UHFFFAOYSA-N	308.382	1.498	50	20	DDGD	
O=C(NNC(=O)c1csc([C@@H]2CCCO2)n1)c1ccncc1	157190900	YYNOAPUDTHFTBL-NSHDSACASA-N	318.358	1.464	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)c2ccc3ccccc3c2)nn1	154407056	FOZMMADIWPCSII-UHFFFAOYSA-N	307.313	1.486	50	20	DDGD	
COCCC1(C(=O)NNC(=O)c2ccccc2OC)CCC1	154422694	MFCJAPNVUZNPJP-UHFFFAOYSA-N	306.362	1.663	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@@H](C)c2cccs2)n1	154838504	LJWLOEUCNPTATP-NSHDSACASA-N	306.391	1.513	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)CNC(=O)NCc2ccco2)c1	159208053	VUVDTNUQQWOSCU-UHFFFAOYSA-N	316.361	1.839	50	20	DDGD	
CSSCCNS(=O)(=O)Cc1cccc(C(=O)O)c1	397860323	ODPGQDIKMUARHM-UHFFFAOYSA-N	321.445	1.815	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	174094439	PHFBUADYPFLPFF-UHFFFAOYSA-N	302.212	1.970	50	20	DDGD	
COC(=O)N1CCC(=NNC(=O)c2ccc(C#N)cc2)CC1	57785872	PGYNYEAQQDVSHY-UHFFFAOYSA-N	300.318	1.506	50	20	DDGD	
C[C@H](NC(=O)c1ccoc1)C(=O)NNc1ccc(F)cc1F	104130970	KALUQZNEBFJEOX-QMMMGPOBSA-N	309.272	1.819	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCCOCc1ccccc1	110760309	SMNOPJGMEBVMPY-UHFFFAOYSA-N	316.361	1.476	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cccnc1S	67439312	VQJBPWSIMNLZHW-UHFFFAOYSA-N	303.343	1.454	50	20	DDGD	
Cc1ccc(-n2cnnn2)cc1NC(=O)NNc1ccncc1	119055904	GZDVBXGXKXRQGA-UHFFFAOYSA-N	310.321	1.514	50	20	DDGD	
O=C(NNC(=O)c1ccc(N2CCCCCC2)nc1)NC1CC1	64427705	AROCGAGDFMDKBR-UHFFFAOYSA-N	317.393	1.568	50	20	DDGD	
COc1ccsc1C(=O)NNC(=O)c1ccc(C)cc1O	106284342	LDYQULXJRAPIME-UHFFFAOYSA-N	306.343	1.846	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Cc2ccccc2F)c1O	54163602	HEFXKXQQHVJJDB-UHFFFAOYSA-N	318.304	1.544	50	20	DDGD	
CN(C)c1ccc(CCC(=O)NNC(=O)c2ccccn2)cc1	21001285	IHRABIHLZNDHTD-UHFFFAOYSA-N	312.373	1.541	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)/C=C(\C)c1ccccc1	172636479	MWNNOGLGRWSDNS-VAWYXSNFSA-N	317.389	1.542	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](C)c1csc(CC)n1	111894933	HUYRAOAHPJWZPB-MRVPVSSYSA-N	300.384	1.133	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)on1	24297507	MUFIFVBUYYCBOS-VIFPVBQESA-N	307.281	1.351	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC[C@@H](C)COC)c1ccccc1	171848084	KARUHDFYKJYHNP-TZMCWYRMSA-N	307.394	1.793	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CC[C@@H]1CCOC1	176873022	OHXPELPSGORQIA-GFCCVEGCSA-N	306.362	1.202	50	20	DDGD	
Cc1nn(C)cc1C(=O)NNC(=O)Cc1cccc2ccccc12	113019807	HWMAQOJHUWZOAQ-UHFFFAOYSA-N	322.368	1.885	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cc(Cl)cn1C)C1CC1	171168766	HPZGTNQXUJDBSU-ZETCQYMHSA-N	300.815	1.586	50	20	DDGD	
COCCOc1ccccc1C(=O)NNC(=O)c1ccc(C)o1	176215448	DAANGOUOCQVSOT-UHFFFAOYSA-N	318.329	1.688	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1c[nH]nc1C	121663662	MSPRQSIQZGLALH-NXEZZACHSA-N	304.375	1.653	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNc1cccnn1)c1cccs1	172432652	MZLGNLDYYKGTOP-JTQLQIEISA-N	306.395	1.467	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)COCC2CC2)o1	64049012	URVKBPREGAHZSW-UHFFFAOYSA-N	323.393	1.309	50	20	DDGD	
CC[C@H]1C[C@H](C(=O)NNc2nc(-c3ccncc3)no2)CCO1	183585650	PXINVSSPQWOZEG-NEPJUHHUSA-N	317.349	1.780	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(-c2ccccc2)[nH]c1=O	77220659	AEANXEFYDMTKHI-UHFFFAOYSA-N	313.357	1.849	50	20	DDGD	
CO[C@@]1(C)C[C@@H](NC(=O)NNc2nc3ccccn3n2)C1(C)C	189394833	UXGRGHPXUJEQHH-BMIGLBTASA-N	318.381	1.559	50	20	DDGD	
CS(=O)(=O)CCCC(=O)NNc1c(F)cccc1Cl	184705863	PTCLZMIHHAJJEF-UHFFFAOYSA-N	308.762	1.747	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CCc2cscn2)cc1	76949875	VNLKKBKIWBACAM-UHFFFAOYSA-N	318.402	1.644	50	20	DDGD	
O=C(CCn1cncn1)NNc1cccc(Br)c1	127268824	GLEKKGSRIHKUAJ-UHFFFAOYSA-N	310.155	1.574	50	20	DDGD	
CC[C@H]1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)C1	125286590	SBJOCSYXFXEQEP-LBPRGKRZSA-N	300.362	1.051	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)CCc2ccoc2)nc1C	182717710	ZOVOXTPVOHKTLX-UHFFFAOYSA-N	318.333	1.631	50	20	DDGD	
O=C(NNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccncc1	131529657	BWMCQJUDLYPMPU-UHFFFAOYSA-N	304.237	1.204	50	20	DDGD	
O=C(NCc1ccccc1[N+](=O)[O-])NNC(=O)c1ccccc1	45623560	MYJQVRDDUSWLBB-UHFFFAOYSA-N	314.301	1.739	50	20	DDGD	
C=CCSCCNC(=O)NNc1ccc(-n2cccn2)nn1	194632467	YIOZMPCXKQOPQU-UHFFFAOYSA-N	319.394	1.208	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C(C)(C)O)sc2ccc(F)cc12	190061561	PEJJITUWQWSNIX-UHFFFAOYSA-N	310.350	1.881	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNC(=S)N[C@H](C)C2CC2)cn1	83677176	WLZRRURXCVVPLN-SNVBAGLBSA-N	322.434	1.776	50	20	DDGD	
O=C(NCCn1ccnc1)NNC(=O)c1cccc(Cl)c1	193208452	OTJCGXKMJFTIMI-UHFFFAOYSA-N	307.741	1.181	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cc([N+](=O)[O-])ccc1O	191912370	KLPAWGGNTSIEBP-UHFFFAOYSA-N	314.261	1.100	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C\c1cnn(-c2ccccc2)c1	255670881	OYTSGHUIANBTMV-PBTLCFMXSA-N	310.357	1.930	50	20	DDGD	
CCOCCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	263977574	AHEUDILSRQCELJ-UHFFFAOYSA-N	302.334	1.264	50	20	DDGD	
Cc1ccc(N2CCCC2)c(C(=O)NNC(=O)NC2CC2)c1	265225828	BFXULNFOXASIPW-UHFFFAOYSA-N	302.378	1.702	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)C(C1CC1)C1CC1	269999020	XFKQCYMQZYUISB-UHFFFAOYSA-N	306.337	1.788	50	20	DDGD	
CCc1ccc([C@H](COC)NC(=O)NNC(=O)C2CCC2)o1	266467300	FMUVKJJWBXEXJT-LBPRGKRZSA-N	309.366	1.660	50	20	DDGD	
O=C(NC[C@@H]1CCCOC1)NNc1ncnc2ccsc12	268867674	TXESFJZLQLOVGM-VIFPVBQESA-N	307.379	1.744	50	20	DDGD	
CC1(C)[C@H](NS(=O)(=O)CBr)[C@@H]2CCCO[C@H]21	363712319	LEPXUGPAVPPGAX-DJLDLDEBSA-N	312.229	1.462	50	20	DDGD	
O=C(NCC[C@H]1CCCCO1)NNC(=O)c1ccccc1F	272620102	WYVXEIYZJCQTTN-LLVKDONJSA-N	309.341	1.729	50	20	DDGD	
C[C@H](O)c1ccc(CNS(=O)(=O)CBr)cc1	272862541	XUVHKMQZLKMSOK-QMMMGPOBSA-N	308.197	1.512	50	20	DDGD	
CCCN(CC(=O)O)C(=O)c1c(C)nn(CCCl)c1C	273491465	WKQCCYUVROFPBO-UHFFFAOYSA-N	301.774	1.676	50	20	DDGD	
CN(C)CCc1ccccc1NC(=O)NNC(=O)CC1CC1	275560013	BEVRFGQCXHJQJT-UHFFFAOYSA-N	304.394	1.744	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C[C@@](C)(O)C1CC1	270119414	LSPWHFBPFDESFL-MGPLVRAMSA-N	324.352	1.292	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC(n2cncn2)C1	365721881	IGNQFVONQLDBRI-UHFFFAOYSA-N	308.773	1.027	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCC2(N(C)C)CCCC2)n1	279667667	OLTQVKUAMGOQAL-UHFFFAOYSA-N	319.409	1.208	50	20	DDGD	
Cc1nn(CCC(=O)N2CC=C(C#N)CC2)c(C)c1[N+](=O)[O-]	271087275	HFHNBXOODQBUAU-UHFFFAOYSA-N	303.322	1.481	50	20	DDGD	
CSSCCNC(=O)N1CCOC[C@H]1c1noc(C)n1	376952974	MFKAIHBMRGTZCW-VIFPVBQESA-N	318.424	1.472	50	20	DDGD	
CC(C)Cn1cc(NC(=O)NNC(=O)Cc2cccnc2)cn1	273443137	DOAYDSRAXJQMHC-UHFFFAOYSA-N	316.365	1.330	50	20	DDGD	
CC(C)n1cc(C(=O)NNC(=O)COc2ccc(F)cc2)cn1	276073161	GPMYHYZZZBHCPO-UHFFFAOYSA-N	320.324	1.443	50	20	DDGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NNc1ncnc2ccsc12	285486495	AFTKFXJEOCIQBU-KWQFWETISA-N	321.406	1.685	50	20	DDGD	
CC(C)(CC(=O)NNC(=O)C(C)(C)O)CC(=O)c1ccccc1	282489254	XIZUXDOOZUHPFG-UHFFFAOYSA-N	320.389	1.594	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNc1nnc(-c2ccccn2)s1	282296004	RZRBGLULFKJAPH-NGZCFLSTSA-N	319.390	1.857	50	20	DDGD	
O=C(NNC(=O)c1ccc(C2=CCCC2)cc1)C(=O)NC1CC1	289408351	UNCADUMDXGEICL-UHFFFAOYSA-N	313.357	1.294	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN(c2ccccc2Cl)C1)C1CC1	289759880	JPUBHIFTHYQWSP-LLVKDONJSA-N	307.781	1.724	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNC(=O)CNc1ccc(OC)cc1	287242516	WGSFOZHMGQRVQX-HNNXBMFYSA-N	304.350	1.194	50	20	DDGD	
CN(C)c1cccnc1CNC(=O)NNC(=O)CC(C)(C)C	290853861	AUTCYMFIZVDOTF-UHFFFAOYSA-N	307.398	1.414	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1nc(C2CCC2)cs1	296616600	BEGFNDARXPAMRM-JTQLQIEISA-N	310.379	1.742	50	20	DDGD	
Cc1cnn(CC(=O)NNC(=O)Nc2ccc(N(C)C)cc2)c1	802120124	YEMLSMSRDYEKED-UHFFFAOYSA-N	316.365	1.110	50	20	DDGD	
C[C@@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)CBr	805111613	ZRDNBEORQLCUGG-NXEZZACHSA-N	311.245	1.227	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C)cn2)cc1	801106122	QXTOLSFZJLYXKJ-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
COc1cccc(C(=O)CCCC(=O)NNc2ncccn2)c1	292952445	JQTIGLLMANAYRP-UHFFFAOYSA-N	314.345	1.982	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1c[nH]c(C(F)(F)F)c1	293044514	XPIDLYWOXGWTIS-UHFFFAOYSA-N	308.260	1.014	50	20	DDGD	
C#Cc1cncc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)c1	806340490	RFERQXPSWRFVDI-UHFFFAOYSA-N	313.744	1.720	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNc1cccc(F)c1[N+](=O)[O-]	290280878	ZAZZARDXWMJIJT-QMMMGPOBSA-N	313.285	1.766	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C2CC(C)(C)C2)cn1	803183663	XWPIIYLTTQKOAZ-UHFFFAOYSA-N	308.407	1.844	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](C)CCOCc1ccccc1	807608342	ZDMNSYWKVQJJQM-ZDUSSCGKSA-N	323.393	1.349	50	20	DDGD	
Cc1oc2ccccc2c1CC(=O)NNC(=O)N=c1cc[nH]cc1	802029878	VGRQQRCXZVGVOU-UHFFFAOYSA-N	324.340	1.954	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)Cc2cc(C)[nH]n2)cc1	802057878	RGDUAMGRDSYVMS-UHFFFAOYSA-N	303.322	1.122	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)NC(C)(C)C)cc1	298754979	SOTZPQSWFJFQKM-LLVKDONJSA-N	323.393	1.982	50	20	DDGD	
CN1CCOc2ccc(C(=O)NNc3ncncc3F)cc21	817079212	MLRVQMNAZUCNIU-UHFFFAOYSA-N	303.297	1.201	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1cnn(C)c1Cl	814719555	UDSUXYYYCRWKFR-UHFFFAOYSA-N	322.752	1.611	50	20	DDGD	
CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NNc1ccccc1	816840198	FQUMPQQDIKRFSF-CYBMUJFWSA-N	311.407	1.236	50	20	DDGD	
CC(=NNC(=O)CCN1CCCCCC1)c1csc(N)n1	812438791	QFDCRAKXTLFPQS-UHFFFAOYSA-N	309.439	1.832	50	20	DDGD	
Cc1ncc2n1C[C@@H](C(=O)NNC(=O)c1ccccc1F)CC2	816814231	LZFADQGZPGPMDX-NSHDSACASA-N	316.336	1.354	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccc2ccc(F)c(F)c2n1	814778071	OUGORHPDHVCXJV-UHFFFAOYSA-N	320.299	1.488	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)CC1OCCCO1	816485815	BDQCPKQSVGVGAL-UHFFFAOYSA-N	314.773	1.850	50	20	DDGD	
CCC[C@H](C(=O)NNc1cccc(Cl)c1)S(N)(=O)=O	816844784	OSNZOEDAFBXXMA-SNVBAGLBSA-N	305.787	1.240	50	20	DDGD	
O=C(NN=C[C@@H]1CCCOC1)c1nn(-c2ccccc2)cc1O	814759609	JGAIQPDGBUAXDO-LBPRGKRZSA-N	314.345	1.720	50	20	DDGD	
Cn1c(NNC(=O)[C@H]2CCc3c[nH]nc3C2)nc2ccccc21	816577669	VRSPPHMSLTYKTO-JTQLQIEISA-N	310.361	1.545	50	20	DDGD	
CCn1ccnc1C(=O)NNC(=O)Cn1ccc2ccccc21	813442294	KHDUKMZUJJFCRC-UHFFFAOYSA-N	311.345	1.319	50	20	DDGD	
Cc1nc(-c2cccc(C(=O)NNc3nc[nH]n3)c2)cs1	816633914	QTYNVKBQTRHUGN-UHFFFAOYSA-N	300.347	1.994	50	20	DDGD	
O=C(CCSCc1ccccn1)NNc1ncncc1F	817081801	DKGZGJVMPPXQKV-UHFFFAOYSA-N	307.354	1.777	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc2c(c1)SCC(=O)N2	813426172	SMVCLKIPOHNUER-UHFFFAOYSA-N	308.363	1.085	50	20	DDGD	
CNC(=S)NNC(=O)c1cc(F)ccc1Br	728314504	TWYZWDXGWSFSNB-UHFFFAOYSA-N	306.160	1.327	50	20	DDGD	
C=C(C)C(C)(C)C(=O)NNC(=O)Cc1cn2ccccc2n1	819345585	KCLHPQTVIXVISW-UHFFFAOYSA-N	300.362	1.627	50	20	DDGD	
CCOc1ncccc1NC(=O)NNC(=O)Cc1cccnc1	728939004	VBSLAFDZGPCJOL-UHFFFAOYSA-N	315.333	1.271	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@H]1Cc2ccccc21	825884719	FIFFLNBNOOUEAI-UHTWSYAYSA-N	303.362	1.082	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C	496765964	ZGXPGCVDDJGVIL-UWVGGRQHSA-N	316.402	1.228	50	20	DDGD	
CC(C)(C)c1n[nH]c(CNC(=O)[C@]2(C)C[C@H]2Br)n1	820103160	YPGXSTKUBGPODA-JMCQJSRRSA-N	315.215	1.892	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CC(=O)Nc2cnccc21	491162030	QFKWHQMJQQNLIS-KPKJPENVSA-N	320.308	1.679	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cccc(-c2cnco2)c1	824621945	ZQYDBNUNRYBBAR-UHFFFAOYSA-N	316.317	1.028	50	20	DDGD	
NC(=O)c1ccc(NC(=S)NNC(=O)C2CCCC2)cc1	726459213	HNLKYVPHAYRGDR-UHFFFAOYSA-N	306.391	1.293	50	20	DDGD	
COC(=O)N(C)N=Cc1ccc(OC(F)(F)C(=O)O)cc1	495812117	YBRYTQWEFCVLRG-UHFFFAOYSA-N	302.233	1.775	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C/c1ccc(OCC(=O)OCC)cc1	490696281	ORFBCMXBRQYQQF-GXDHUFHOSA-N	314.341	1.838	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(F)c(C(=O)OC)c1F	496367359	ZDYWYJKFZKNDIP-UHFFFAOYSA-N	303.221	1.144	50	20	DDGD	
C=CCOCC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	729299541	JQDYIGQEHBZKMC-CYBMUJFWSA-N	306.362	1.421	50	20	DDGD	
O=C(C[C@H](c1ccccc1)c1ncc[nH]1)NNC(=O)NC1CC1	823767258	DMIQJGGIGKVQAG-CYBMUJFWSA-N	313.361	1.425	50	20	DDGD	
CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NNc2ncccn2)C1	497197878	VAAPWZIQNYGBBK-SNVBAGLBSA-N	319.365	1.177	50	20	DDGD	
CC(C)Oc1cccc([C@H](C)NCC(=O)NNC(=O)C(C)C)c1	828647329	CTZAJFRISLSMQF-ZDUSSCGKSA-N	321.421	1.928	50	20	DDGD	
N#CCc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1	826382025	LGKFVPDHVFVQRM-UHFFFAOYSA-N	319.328	1.690	50	20	DDGD	
CCn1nc(C2CC2)cc1C(=O)NNc1nccc(OC)n1	906068588	VUTLAHPPUUQQMJ-UHFFFAOYSA-N	302.338	1.336	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1coc2ccccc12	826010867	YYCJJWZXDPKYTO-JQWIXIFHSA-N	317.345	1.688	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNC(=O)c2cc3c(s2)CCC3)CCN1C	823842299	LFTSTFYRZNGAGQ-MWLCHTKSSA-N	307.419	1.338	50	20	DDGD	
C[C@H]1CC[C@]2(CCN(C(=O)c3ccc(B(O)O)c(F)c3)C2)C1	584974571	WEKICIYJPITKQW-ZBEGNZNMSA-N	305.158	1.158	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc2c(c1)nc(O)n2C1CC1	823906821	DBBSJXIBSOQDDB-SECBINFHSA-N	304.350	1.034	50	20	DDGD	
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@]1(C)C[C@H]1Br	906973987	WSVKSWJQSXDTKR-IHXVIFPJSA-N	301.228	1.759	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H]2CC23CCC3)o1	820203102	PRGBLIRCFPLKPV-MRVPVSSYSA-N	317.353	1.611	50	20	DDGD	
CCN(CCO)NC(=O)c1ccccc1NCc1cccnc1	823889485	YLLNYKSUHVZOME-UHFFFAOYSA-N	314.389	1.653	50	20	DDGD	
CN(C)C(=O)[C@H]1CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1	491044232	BQZAOJMODWPXCC-GFAPJHNFSA-N	315.348	1.669	50	20	DDGD	
CC(C)[C@H]1CN(C(=O)/C(C#N)=C/c2cnn(C)c2)CCCO1	491106947	UIFDSUGNDSOVIA-KEQVLUGWSA-N	302.378	1.601	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)/C=C/C2CCOCC2)cc1	492815790	YEIYCIAQICOWSM-FARCUNLSSA-N	319.361	1.831	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)CC(F)(F)F)c1ccc(F)cc1	823368627	MDXGAVNFOBEESI-NSHDSACASA-N	308.231	1.133	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@H]2C(=O)O)cc1C	738627600	IJCXEVGKMHUBHK-GHMZBOCLSA-N	307.375	1.342	50	20	DDGD	
C[C@@H]1C[C@@H](NCc2ccccc2B(O)O)CN1Cc1ccccc1	585028461	KVODVSQYBFSWFL-CRAIPNDOSA-N	324.233	1.119	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCl)c1ccc2c(c1)CC(=O)N2C	830378296	FUNLWCIFOJKPQO-MRVPVSSYSA-N	302.783	1.382	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCOC[C@@H]1C1CCC1	830219214	LELYHHRXKLBAGF-GXTWGEPZSA-N	311.426	1.069	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1nc2c(s1)CCCC2	831072186	MDUGWSAYQXLKEU-BDAKNGLRSA-N	324.406	1.600	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](CC)c1ccccc1OCC	731282291	KHEMGDZIJKKJHV-CYBMUJFWSA-N	323.393	1.903	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc(O)cs1	731866435	NQYIVKFAKNGHHK-MRVPVSSYSA-N	324.333	1.821	50	20	DDGD	
OB(O)c1ccc(CNCCCCOCCc2ccccc2)o1	585017243	QRDWKZWOKHTURY-UHFFFAOYSA-N	317.194	1.089	50	20	DDGD	
CC(C)CSCCCNC(=O)c1ccc(B(O)O)c(F)c1	584966568	FGBXVMLETBQHFG-UHFFFAOYSA-N	313.203	1.015	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C[C@@H](n1cccn1)C(F)(F)F	831857994	KGTIIETUXGNCDF-MRVPVSSYSA-N	307.276	1.069	50	20	DDGD	
C[C@@H](N)C[C@@H](C)NC(=O)NNC(=O)C(C)(C)c1ccccc1	831212357	NYRHKRVRVPQTPO-VXGBXAGGSA-N	306.410	1.420	50	20	DDGD	
CC(C)c1nnc(CCC(=O)NNc2ccccc2C(=O)O)o1	833511806	GQLUYTPBTDZKGK-UHFFFAOYSA-N	318.333	1.967	50	20	DDGD	
CCC[C@H](C(=O)NNC(=O)[C@H]1CCCCO1)c1ccccn1	833237030	XLBYIJWJRZJLIU-GXTWGEPZSA-N	305.378	1.682	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1csc(C2CCCCC2)n1	839637388	DGBSENLTAOIJQT-UHFFFAOYSA-N	310.423	1.513	50	20	DDGD	
C[C@@H](C=NNC(=O)NCC1CC1)c1ccc(S(C)(=O)=O)cc1	834945370	MXZNPEOJEUVOFZ-NSHDSACASA-N	323.418	1.889	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(C)Cc1ccccc1F	731849231	VKVRSQPOFMNIOB-LBPRGKRZSA-N	309.385	1.840	50	20	DDGD	
COc1ccccc1CC(=O)NN=C(C)CCC(=O)N(C)OC	834944635	PYCPXFCUXVYVJH-UHFFFAOYSA-N	321.377	1.530	50	20	DDGD	
CC(C)c1ccc(NNC(=O)CCC(=O)N2CCOCC2)cc1	837058430	OQJHAIPMCOTMLW-UHFFFAOYSA-N	319.405	1.892	50	20	DDGD	
N#Cc1ccc(F)c(CNC(=O)NNC(=O)CC(F)(F)F)c1	745893509	XYWMZWRJMFNPFL-UHFFFAOYSA-N	318.230	1.480	50	20	DDGD	
CCSc1ccc([N+](=O)[O-])cc1C(=O)NN(C)C[C@H](C)O	910155271	LHEZVEPCRWNTQK-VIFPVBQESA-N	313.379	1.664	50	20	DDGD	
O=C(CCCOc1ccccc1)NNC(=O)CC(F)(F)F	918363690	CGVDAJHUARNAGX-UHFFFAOYSA-N	304.268	1.945	50	20	DDGD	
CN1CCCC[C@@H]1C(=O)NNc1cc(O)nc2ncccc12	913993994	RHXYLGUSSKZWRX-GFCCVEGCSA-N	301.350	1.263	50	20	DDGD	
CNc1nccc(C(=O)NNC(=O)CC(C)(C)C)c1[N+](=O)[O-]	848369119	AXGRJZQQJAVKHR-UHFFFAOYSA-N	309.326	1.229	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)c1cc2c(cc1O)OCO2	916728555	MMMOPMDDKVRSLZ-UHFFFAOYSA-N	318.260	1.335	50	20	DDGD	
O=C(NN=Cc1cc2ccccc2nc1O)C(=O)N1CCCC1	748137588	NZNIVZUQCQBBDL-UHFFFAOYSA-N	312.329	1.013	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)N(C)C)c1	746115372	SDDQOCUSLFGOBK-KAQJVSAMSA-N	302.330	1.622	50	20	DDGD	
Cc1cc(Cl)c(C(=O)NN(C)C[C@@H](C)O)cc1[N+](=O)[O-]	910145530	UDSVUKCRYSZUFN-MRVPVSSYSA-N	301.730	1.514	50	20	DDGD	
Cc1oc(-c2ccccc2F)nc1C(=O)NN(C)C[C@@H](C)O	910163186	NKFGYPNNVFZHEG-SECBINFHSA-N	307.325	1.747	50	20	DDGD	
COCCN1C[C@@H](C(=O)NNc2c(C)cc(C)cc2C)CC1=O	743765159	YEJDMKWPFRKHCI-AWEZNQCLSA-N	319.405	1.550	50	20	DDGD	
COC/C(C)=C\C(=O)NNC(=O)c1cc(OC)cc(OC)c1	844287871	PZDGEKGZSXICPG-YHYXMXQVSA-N	308.334	1.058	50	20	DDGD	
CCC(=NNC(=O)Cc1cc(O)nc(O)n1)c1ccc(C)cc1	743445716	DLXXYJTZIBXNIW-UHFFFAOYSA-N	314.345	1.669	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)C	843777131	BPVWTJQAANESBN-NSHDSACASA-N	315.414	1.731	50	20	DDGD	
Cc1cc(-n2c(C)cc(C(=O)NN(C)C[C@@H](C)O)c2C)no1	910174186	CBYKGXGQWYNLBB-SNVBAGLBSA-N	306.366	1.348	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H]2CC[C@@H](SC)C2)n1	746773521	XBCUPQVEXJJKBF-VHSXEESVSA-N	311.411	1.704	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC(Oc2ncc(C)cn2)CC1	848297771	DBUILAOTAGWXFP-QBFSEMIESA-N	316.361	1.599	50	20	DDGD	
COCc1ccc(C=NNC(=O)[C@H](C)CN2CCOCC2)cc1	741758538	YWSZQLUHJKWREU-CQSZACIVSA-N	319.405	1.251	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@H](C)C(F)(F)F)c1	742473810	NFHBCLFBAPGKSS-ZETCQYMHSA-N	320.267	1.663	50	20	DDGD	
Cc1nnc(CN(C)C(=O)[C@]2(C)C[C@H]2Br)s1	912726689	BKOPVVZGBNWOIW-GMSGAONNSA-N	304.213	1.978	50	20	DDGD	
CC(CCN(C)C)=NNC(=O)c1cc(Br)c[nH]1	915957294	SLSHXJSWBWAILD-UHFFFAOYSA-N	301.188	1.835	50	20	DDGD	
CC(C)COc1ccc(NC(=O)NNC(=O)CCCN)cn1	841119515	NLWHVBCUSQIWQA-UHFFFAOYSA-N	309.370	1.008	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc(Cl)nc1F)C1CC1	912160874	PFKQHDDIFHVPDP-ZCFIWIBFSA-N	316.789	1.782	50	20	DDGD	
O=C(NCCOC1CCC1)NNC(=O)c1cc2ccccc2o1	749579853	LCFGCZAFZIDSKM-UHFFFAOYSA-N	317.345	1.946	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NNC(=O)CC(C)C)c(C)c1	749151209	HCDVIWZSISJIMW-UHFFFAOYSA-N	314.407	1.749	50	20	DDGD	
COC(=O)NNC(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1	846627748	HWJONHRGWOHMBU-TXEJJXNPSA-N	321.333	1.079	50	20	DDGD	
CCCNCCNC(=O)NNC(=O)Nc1ccc(Cl)cc1	841961454	OHGGBPHZNPGUME-UHFFFAOYSA-N	313.789	1.675	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CSCC(=O)O)c1	740169996	ICPLGHLGLIVGMF-UHFFFAOYSA-N	313.404	1.130	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)CCc1ccccc1O)n1ccnc1	846634370	SHZITCSJQWUTNV-LBPRGKRZSA-N	316.361	1.320	50	20	DDGD	
Cc1ncc2n1C[C@@H](C(=O)NNC(=O)Nc1ccccc1)CC2	846093843	JHDZWFSHBKMIMX-LBPRGKRZSA-N	313.361	1.607	50	20	DDGD	
O=C(/C=C\c1ccc2ccccc2n1)NNC(=O)NCC1CC1	920859240	OGRXRJPRKGCWAW-KTKRTIGZSA-N	310.357	1.988	50	20	DDGD	
COCCCNC(=O)NN=Cc1cc([N+](=O)[O-])ccc1Cl	920833202	IKIMZZYFVBBIEL-UHFFFAOYSA-N	314.729	1.918	50	20	DDGD	
CNC(=O)NNC(=O)c1ccccc1CSC1=NCCS1	747364807	AALFDDAUVDMPGV-UHFFFAOYSA-N	324.431	1.596	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)CN1CCCC1=O)c1ccc(F)cc1	920432703	HBSVUDDKVXNMRL-NSHDSACASA-N	321.352	1.089	50	20	DDGD	
CN(C)N(C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)[C@H]1CCS(=O)(=O)C1	844301414	VDMAEPDMRCSPKD-ZOBORPQBSA-N	312.435	1.081	50	20	DDGD	
CCOC(=O)[C@@H](CC(C)C)NNC(=O)c1cccc(Cl)n1	849322533	DRMIUIJNBIOWKI-LLVKDONJSA-N	313.785	1.947	50	20	DDGD	
COc1ncc(C(=O)NNc2ncnc(Cl)c2C(C)C)cn1	840549810	WKKJBYNFVZWBEE-UHFFFAOYSA-N	322.756	1.809	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)C(=O)Nc2ccccc2)o1	746522509	QHKZHRFPQOVUIZ-UHFFFAOYSA-N	313.317	1.751	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCCOc1cccc(F)c1	843648077	VVAOZKWYKHQCQC-SMDDNHRTSA-N	324.352	1.557	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@H](COC)c1ccc(CC)o1	754348608	UIPQYVKRWHCIBB-CMPLNLGQSA-N	311.382	1.065	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H]2CC(=O)N(C3CC3)C2)c1	759322334	QCPVUDRVIJRZBC-VIFPVBQESA-N	307.325	1.288	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)Cc2ccc(C(N)=O)cc2)n1	754246862	QETKVWNNATZIHW-UHFFFAOYSA-N	319.752	1.223	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)c1ccnc(C2CC2)n1	758307510	MYGLZYUAMDHDBO-UHFFFAOYSA-N	322.328	1.760	50	20	DDGD	
CC1(C)Cc2cc(C(=O)NNC(=O)c3cc[nH]n3)ccc2O1	855354839	KIPTWILSBAJZLB-UHFFFAOYSA-N	300.318	1.198	50	20	DDGD	
CCS[C@@H](C(=O)NN(C)C(=S)NCCCOC)C(C)C	854280793	CVWXLMYQMIUPIK-LLVKDONJSA-N	321.512	1.638	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCC2CC(C)C2)cc1	856961607	MACLIMJNOMXVHN-UHFFFAOYSA-N	305.378	1.750	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C#CC(C)C)cc1OC	854233554	DMQGQHHRYKTLJB-UHFFFAOYSA-N	304.346	1.514	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)[C@@H]1CCCCO1)C1CCCC1	852659679	UVNKSRIOSIQXOT-STQMWFEESA-N	313.398	1.091	50	20	DDGD	
CSCC1(CCNC(=O)/C(C#N)=C\c2cnn(C)c2)CC1	855398246	VBXJFIQWGPKRKW-QPEQYQDCSA-N	304.419	1.977	50	20	DDGD	
COC[C@@H](C)OC(=O)/C(C#N)=C/c1cc(C(F)(F)F)nn1C	853000463	BJVPJQQSSBCDAY-SXPLAPADSA-N	317.267	1.924	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)N2CCCCC2)C[C@H]1Br	856756018	IFDLCSXCXMKXOS-ZJUUUORDSA-N	311.245	1.480	50	20	DDGD	
C[C@@]1(CNC(=O)N2[C@H]3CC[C@H]2CC(O)C3)C[C@@H]1Br	856952911	FLGBQEKAPOWDKT-PZEZNAACSA-N	317.227	1.857	50	20	DDGD	
C#C[C@](C)(CC)NCC(=O)NNC(=O)Cc1ccccc1C	852102065	VGXLPDAJGPGGBH-QGZVFWFLSA-N	301.390	1.076	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(Cl)cs1	757955850	QHIJCGABCLAOTN-UHFFFAOYSA-N	317.798	1.467	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2c(Cl)cnn2C)n1	857152639	AIGKXFXXNGNRKH-UHFFFAOYSA-N	323.788	1.467	50	20	DDGD	
Cc1nn(C)c(C)c1OCC(=O)NNc1ncc(Cl)cn1	857357451	SAQGXEVJPACHDK-UHFFFAOYSA-N	310.745	1.002	50	20	DDGD	
C=C[C@](C)(O)C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	854218932	XRLGAUMESGXNDH-WBMJQRKESA-N	306.362	1.155	50	20	DDGD	
O=C(NN=Cc1cnc2ncccn12)c1ccc2c(c1)OCCO2	755627263	IASKBLUMVHJTBH-UHFFFAOYSA-N	323.312	1.264	50	20	DDGD	
CCn1nccc1CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	856480208	ZMYMGCDBZPTOOI-VGOFMYFVSA-N	322.372	1.645	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1c[nH]c2cccnc12	855090452	WURNXLQVGNIFPW-UHFFFAOYSA-N	303.391	1.472	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cc(C(F)(F)F)n[nH]1	857490939	LOWZKOJTEKJQJO-UHFFFAOYSA-N	306.635	1.629	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N[C@H]1CC[C@H](O)CC1)c1ccccc1	753715734	ZTADYQVZUCKDJP-RBSFLKMASA-N	319.405	1.814	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NNc1ncccn1	858318844	UGTHHQILAHWDPN-SNVBAGLBSA-N	309.370	1.565	50	20	DDGD	
COCC1(S(=O)(=O)NC[C@@]2(C)C[C@@H]2Br)CC1	856753518	SUOYNQXJHVTASY-DTWKUNHWSA-N	312.229	1.258	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2C[C@H](C)Cc3c[nH]nc32)nc1	857867572	ZJFUBIWUSMWIGB-BXKDBHETSA-N	301.350	1.623	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2cnc3n2CCCC3)o1	750723710	FFIWIIDOSNVHIX-UHFFFAOYSA-N	314.349	1.959	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cnn2ccccc12)C1CC1	855101128	QCWHBMWYHGWEID-VIFPVBQESA-N	303.391	1.242	50	20	DDGD	
COC(=O)Cc1c(C(=O)NN(C)C(=O)OC)[nH]c2ccccc12	854409542	JATVXFDKRXPXRO-UHFFFAOYSA-N	319.317	1.226	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2cc(C)nnc2C)ccc1C	857267397	VLJHBJXXGGQLHC-UHFFFAOYSA-N	314.345	1.945	50	20	DDGD	
COc1ncncc1NC(=O)NC[C@]1(C)C[C@H]1Br	856846425	JMTIRAHAJZWMHM-KCJUWKMLSA-N	315.171	1.780	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccccc1N(C)C(=O)C1CC1	854925959	QRQVRSIEFPEECC-UHFFFAOYSA-N	320.418	1.140	50	20	DDGD	
C[C@@]1(CNC(=O)COCc2cccnc2)C[C@H]1Br	857388462	SOMCOURZMJBOMA-YPMHNXCESA-N	313.195	1.888	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2coc(C(N)=O)c2)o1	759666603	HCEZUXSNEZZNGA-UHFFFAOYSA-N	303.278	1.118	50	20	DDGD	
O=C(NCC(F)F)C(=O)NNc1ccc(Cl)cc1Cl	752654185	RFABGGIHXAFKMJ-UHFFFAOYSA-N	312.103	1.818	50	20	DDGD	
CO[C@H](C)CS(=O)(=O)NC[C@@]1(C)C[C@H]1Br	856754164	CPEVWRNKNWFTER-IWSPIJDZSA-N	300.218	1.114	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccn(CCC(C)C)n1	930414409	KMIGBZLKOSLDKB-UHFFFAOYSA-N	305.382	1.885	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H]2CSCN2C(=O)C(C)(C)C)cc[nH]1	862511028	DBGFTJJSOFQFQD-GFCCVEGCSA-N	322.434	1.203	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)N(C)NC(=O)OCc1ccccc1	862287269	KCSKTPPCIRUVGN-UHFFFAOYSA-N	323.349	1.421	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C=NNC(=O)c2cc(C)[nH]n2)c1C	863103231	QLLOUMHDEWSENA-UHFFFAOYSA-N	317.349	1.604	50	20	DDGD	
CN(C)c1ccc2c(c1)NC(=O)C2=NNC(=O)c1ccncc1	761724032	MTGKLWAECCUIOE-UHFFFAOYSA-N	309.329	1.234	50	20	DDGD	
CCn1c(NNC(=O)[C@@H](O)C(C)(C)C)nc2ccccc2c1=O	764701116	XWEZHULVXCFEAR-GFCCVEGCSA-N	318.377	1.267	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)c1cnccn1	761636472	HRQDBOCOXZLMLR-UHFFFAOYSA-N	318.358	1.039	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNc1ccc(-n2ccnc2)nn1	861693558	AOGNOAITFFSJPU-NSHDSACASA-N	304.354	1.311	50	20	DDGD	
COC(=O)Nc1ccccc1C(=O)NNc1ncc(F)cn1	762087823	LXGVVUMTJJOLSD-UHFFFAOYSA-N	305.269	1.551	50	20	DDGD	
CCC(C#N)(CC)C(=O)OCC(=O)NNC(=O)c1ccccc1	860193448	LOEPIEYJVXCAAI-UHFFFAOYSA-N	317.345	1.321	50	20	DDGD	
CC(=O)N[C@H](CC(C)C)C(=O)NNc1ccc([N+](=O)[O-])cc1C	861702450	ONPIAJYLECEACN-CQSZACIVSA-N	322.365	1.897	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cc(F)c(N(C)C)cc1F	863122808	NIPOKNNTOJBKIR-ONGXEEELSA-N	311.332	1.906	50	20	DDGD	
CC(C)(C)Oc1ccc(C(=O)NNC(=O)c2cn[nH]c2)nc1	862469298	FUZPQGQHKUEFBV-UHFFFAOYSA-N	303.322	1.057	50	20	DDGD	
CCNC(=O)N(C)N=Cc1c(C)nn(CCC(=O)OC)c1C	769593331	BGKBRZUOPOPJFN-UHFFFAOYSA-N	309.370	1.058	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNC(=O)C2CCCC2)c(C)c1	764067132	YZRNTCGXGXGZAN-UHFFFAOYSA-N	319.361	1.280	50	20	DDGD	
CCN(CC)C(=O)CN(C)S(=O)(=O)CC(C)(C)CCl	866411266	HUJLGECPAIVINE-UHFFFAOYSA-N	312.863	1.381	50	20	DDGD	
CC(Cc1coc2ccccc12)=NNC(=O)CS(C)(=O)=O	863183630	JEFZCUGZCNEIKI-UHFFFAOYSA-N	308.359	1.512	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@@H]1CCCN1Cc1ccccn1	762090085	HYBMCCIITNSJHL-ZDUSSCGKSA-N	316.340	1.118	50	20	DDGD	
Cc1nn(C)c2ncc(C(=O)NN[C@@H](C)C(F)(F)F)cc12	862306085	CBHYEXKIYZMAAX-ZETCQYMHSA-N	301.272	1.462	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NN2CCOC2=O)cc1	862698450	SQRFOURPIUVEKA-FMIVXFBMSA-N	301.302	1.476	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)CCc2ccccc2O)CCC1=O	764176918	ZHSGYOSAVGLEIS-WCQYABFASA-N	318.373	1.478	50	20	DDGD	
CC(C)C(=O)NNC(=O)Cc1csc(-c2cccnc2)n1	769083624	FHHMONFGABHJTE-UHFFFAOYSA-N	304.375	1.551	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc2oc3ccccc3c2c1	763515925	DWSXDQCSDLCRSO-UHFFFAOYSA-N	311.297	1.692	50	20	DDGD	
COc1ccc(NNC(=O)c2cncc(OCC(F)F)c2)nc1	1116709487	IKAGRRDALNTKJO-UHFFFAOYSA-N	324.287	1.886	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)COc2ccccc2O)sc1C	770441009	CXRBKZISSSVEKM-UHFFFAOYSA-N	321.358	1.306	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1c(C)cccc1OC	773533338	KPWGFNNYHRPYFE-SECBINFHSA-N	307.350	1.136	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cn1)C1(O)CCOCC1	775255794	YZURWXBVMFVZKM-UHFFFAOYSA-N	305.256	1.085	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@@](C)(O)C2CC2)c1	874946369	HILGIHRWPPDBAM-AWEZNQCLSA-N	311.382	1.613	50	20	DDGD	
CSC[C@@H](CCO)NS(=O)(=O)c1ccc(CCl)cc1	1119671799	OBMVBSMTAWCQJH-LLVKDONJSA-N	323.867	1.818	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C1(CN(C)C)CC1	873803224	YEEMDQPONWDOBX-LLVKDONJSA-N	323.368	1.082	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)C1=COCCC1	873769340	MZROAMUWNDARAO-UHFFFAOYSA-N	307.375	1.707	50	20	DDGD	
COCC1(C)CCN(C(=O)NNC(=O)c2ccccc2)CC1	773457101	ANXZPWUMXHSFIK-UHFFFAOYSA-N	305.378	1.790	50	20	DDGD	
C=C(CBr)CN1CCC(c2nnc(N)o2)CC1	878814441	LNHUNCGIYZMKCQ-UHFFFAOYSA-N	301.188	1.782	50	20	DDGD	
CS(=O)(=O)Cc1cccc(NC(=O)NNc2ncccn2)c1	775576874	GTYASFQIXBFMQW-UHFFFAOYSA-N	321.362	1.170	50	20	DDGD	
COc1cccc(C(=O)NNc2nccnc2OC)c1[N+](=O)[O-]	770731783	JUNHMRFYTIHATR-UHFFFAOYSA-N	319.277	1.159	50	20	DDGD	
CC[C@H]1CC[C@H](C)N1CC(=O)NNC(=O)c1cccc(C#N)c1	772357996	VFBALXMBIUOGMU-WFASDCNBSA-N	314.389	1.582	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)C(=O)Nc1ccccc1F	773992289	NRNWIGVIZDAAIJ-UHFFFAOYSA-N	317.324	1.821	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cc(F)ccc1N(C)C	880939313	QMNDYVKMKOUCSF-ONGXEEELSA-N	324.356	1.469	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@H]1Cc1ccccc1)c1cccnn1	882056352	QQSWXGMUQDLEIY-GJZGRUSLSA-N	324.384	1.897	50	20	DDGD	
O=C(NNS(=O)(=O)CCC1CCCC1)c1ccccc1O	882659513	DNBYSSLJUXUHST-UHFFFAOYSA-N	312.391	1.537	50	20	DDGD	
CC(=NNC(=O)c1nnc(O)c2ccccc12)c1cnn(C)c1C	778540602	UZBFKTJYJSSMPR-UHFFFAOYSA-N	324.344	1.531	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@H](OC)C(C)C)cc1OC	770219788	MJTIDZDYZREZEV-AWEZNQCLSA-N	324.377	1.526	50	20	DDGD	
FC(F)(F)CNCCc1cn(/C=C/CBr)nn1	881294937	HBVQQPIQUTVHGP-ORCRQEGFSA-N	313.121	1.838	50	20	DDGD	
CCn1cnc2c1CCN(C(=O)[C@]1(C)C[C@H]1Br)C2	886611574	IGRQCLHDHKPOHU-DGCLKSJQSA-N	312.211	1.961	50	20	DDGD	
Cn1nc2c(c1NC(=O)NNC(=O)[C@@H]1CCCCO1)CCCC2	880621738	CRZFXXILTJYCAP-LBPRGKRZSA-N	321.381	1.021	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC	785830793	LFFTUGRXCJZJLJ-UHFFFAOYSA-N	311.298	1.301	50	20	DDGD	
O=S(=O)(CCCCl)N1CCC[C@H](OCC(F)(F)F)C1	881800759	WXININIGCDFLIA-VIFPVBQESA-N	323.764	1.988	50	20	DDGD	
CO[C@@H](CNC(=O)/C(C#N)=C\c1ccc(O)cc1)C(F)(F)F	787360011	NOZQMUQIOWWTPM-GYGFLDJKSA-N	314.263	1.993	50	20	DDGD	
COc1nn(C)cc1C(=O)NNc1nccnc1C1CCC1	883970357	OSUOTHRAZMODFD-UHFFFAOYSA-N	302.338	1.243	50	20	DDGD	
COCC1(CCNC(=O)NNc2ccc(C#N)cn2)CCC1	889095843	ZCZYRMOKDYHTCT-UHFFFAOYSA-N	303.366	1.786	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@H](C)CN2CCCCC2)cn1	780201993	ZAGOYBOYVRNTIA-CYBMUJFWSA-N	304.394	1.662	50	20	DDGD	
CO[C@@H]1CCOC[C@H]1NC(=O)NNc1ncnc2ccsc12	898093264	VIAULEUOTGUTRD-NXEZZACHSA-N	323.378	1.121	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNc1ncccc1[N+](=O)[O-]	780636044	DRRLXASKLAOEJO-UHFFFAOYSA-N	310.310	1.412	50	20	DDGD	
COc1ccc(NNC(=O)NCc2ccnc(OC)c2)nc1	780959632	JEJWQXHCPZARNM-UHFFFAOYSA-N	303.322	1.320	50	20	DDGD	
COCCN(C)NC(=O)CCCc1ccc(OC)c(OC)c1	897721984	QLYRPZUABPBRDJ-UHFFFAOYSA-N	310.394	1.636	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)COc1ccc(F)cc1)c1ccccn1	785691687	VWYCADYLPXDXNJ-LLVKDONJSA-N	317.320	1.551	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cc(C)c(=O)n(C)c2)cc1	783348403	CWONGYQWQVZVPU-UHFFFAOYSA-N	314.345	1.084	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(-c2n[nH]c(C)n2)cc1	780708206	GVDRFOUWLUHXSP-UHFFFAOYSA-N	302.338	1.086	50	20	DDGD	
COc1cc(C(C)=NNC(=O)C(F)F)ccc1S(C)(=O)=O	782236199	XATBQEHJLAFKRI-UHFFFAOYSA-N	320.317	1.204	50	20	DDGD	
CC[C@H]1C[C@H](CC(=O)NNC(=S)NCCSC)CCO1	781715742	NOTDZIIHFNZQBM-MNOVXSKESA-N	319.496	1.440	50	20	DDGD	
CC(C)CNC(=O)NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\C1CC1	786678504	DNUGZEGSWXOREE-GWHHBTOMSA-N	307.350	1.260	50	20	DDGD	
COc1cc(C=NNC(=O)C(C)(C)O)c(SC)cc1OC	785461911	JNMQASIVGZCQEC-UHFFFAOYSA-N	312.391	1.647	50	20	DDGD	
CCCNC(=O)NN=Cc1ccc(OCCC(=O)O)c(OC)c1	783837399	JQTQUNTXYWULLG-UHFFFAOYSA-N	323.349	1.592	50	20	DDGD	
O=C(Cc1ncccc1F)NNc1nc(-c2cccnc2)no1	792160694	YFNTZNFGMCBAJR-UHFFFAOYSA-N	314.280	1.352	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl	792907667	UJQNGSZMXYPWLJ-YGOYTEALSA-N	322.236	1.448	50	20	DDGD	
Cc1ccc2c(c1)SCC2=NNC(=O)[C@@H]1CCS(=O)(=O)C1	797787257	ISHVSQYUSJBTJV-SNVBAGLBSA-N	324.427	1.356	50	20	DDGD	
CC(=NNC(=O)c1ccc(O)c(O)c1)c1cccc(C(=O)O)c1	794557477	BQNKTSNWCBWNRG-UHFFFAOYSA-N	314.297	1.950	50	20	DDGD	
COCCOc1ncccc1C(=O)NNc1ncccc1C	791213700	NRBZEMBYWBYRSP-UHFFFAOYSA-N	302.334	1.567	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccc(C)c(O)c1	792798368	MZZUZOLMQOFTAM-UHFFFAOYSA-N	314.341	1.713	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cnc(C2CC2)s1	798314156	ZEXZNJQZTASGIA-UHFFFAOYSA-N	308.285	1.527	50	20	DDGD	
CN(C)CC(=O)NN=C(C[C@H]1CCOC1)c1ccc(F)cc1	793004142	HUJHQWOXTXCUAX-GFCCVEGCSA-N	307.369	1.634	50	20	DDGD	
C[C@H]1CC[C@@H](CNC(=O)NNc2nc(O)c3cnn(C)c3n2)C1	793458109	GGLSWUFTUWDTPX-DTWKUNHWSA-N	319.369	1.131	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2	249091420	VYWAKSGTADCSLS-QJPTWQEYSA-N	307.843	1.882	50	20	DDGD	
CCN(C[C@H](CBr)C1CC1)[C@@H]1CCS(=O)(=O)C1	701858887	LANVTJVESOFFNF-NWDGAFQWSA-N	324.284	1.917	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1CCCCCN1	1328523138	SUZBLPYAUJEBLE-LBPRGKRZSA-N	311.407	1.065	50	20	DDGD	
CC(C[C@H]1CCCC(=O)N1)=NNC(=O)CCN1CCC(C)CC1	1327460389	MGLUZCZLPVUNOJ-OAHLLOKOSA-N	322.453	1.659	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@]2(F)CCOC2)cc1C	1324099778	DRLVGUSIEWZHAD-HNNXBMFYSA-N	310.325	1.743	50	20	DDGD	
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NNC(=O)NCc1ccco1	1339771208	IPVHKPKATMOCTR-SECBINFHSA-N	319.365	1.329	50	20	DDGD	
CN(CC(=O)NNC(=O)c1n[nH]c2c1CCCC2)CC(C)(C)C	1335961480	MKYAEBDEFJXUPY-UHFFFAOYSA-N	321.425	1.027	50	20	DDGD	
NC[C@H](NC(=O)NNC(=O)c1ccccc1Cl)C1CCCC1	1331467353	XWDSNQDOCCHFTD-ZDUSSCGKSA-N	324.812	1.802	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1cn(C2CCOCC2)nn1	1261204542	WIVGDQOXKXDECZ-UHFFFAOYSA-N	322.756	1.435	50	20	DDGD	
Cc1n[nH]c(C)c1C[C@H](C)C(=O)NNc1nc2ccccn2n1	1343565197	BTWNWWSXVYMOIV-VIFPVBQESA-N	313.365	1.391	50	20	DDGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)[C@H]1C[C@H]1F	1346229779	AWKYIPMZAUSJRR-VHSXEESVSA-N	302.758	1.938	50	20	DDGD	
Cc1nc2cc(NC(=O)C(=O)NNC(=O)C3CC3)ccc2s1	1262671092	PPGBMNQNZZBQLT-UHFFFAOYSA-N	318.358	1.101	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]1F)c1ccc(Br)s1	1348433862	KBCMDFFJAPVTGG-CRCLSJGQSA-N	307.144	1.630	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NNc1nc(-c2cccnc2)no1	1353615729	AGFLGSNEUHOSRG-LLVKDONJSA-N	316.365	1.448	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)[C@@H]1CCCN1C(=O)C1CC1	1602471233	FGUYMMCCZKWVEE-ZDUSSCGKSA-N	317.345	1.229	50	20	DDGD	
Cc1c(NNC(=O)CC2(O)CCOCC2)cccc1C(=O)O	1607553524	TXFLKMHMEPZQJR-UHFFFAOYSA-N	308.334	1.068	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)[C@]1(C(=O)O)C[C@H]2CC[C@H]1C2	1605670845	XOIGRELQCTXBRH-MKBNYLNASA-N	308.378	1.605	50	20	DDGD	
O=C(O)COc1cccc(NC(=O)NNc2ccc(F)cn2)c1	1608764973	ZYNZIPLLUIWQJZ-UHFFFAOYSA-N	320.280	1.833	50	20	DDGD	
C[C@]1(COC(=O)[C@H]2CC(=O)N(C3CC3)C2)C[C@@H]1Br	1526044778	MVYMRDHAFGLPOR-GMOODISLSA-N	316.195	1.714	50	20	DDGD	
Cc1csc(CNC(=O)NNc2ccc(CC(=O)O)cc2)n1	1600659321	SGMDLDKRKKPSNL-UHFFFAOYSA-N	320.374	1.905	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)/C=C/c2ccc(C(=O)O)o2)o1	1600341427	FUCMEPBGPGXSOS-QPJJXVBHSA-N	304.258	1.354	50	20	DDGD	
O=C(O)CNC(=O)NN=C(C[C@H]1CCOC1)c1ccc(F)cc1	1608754098	FXWGCNWNRDXASG-SNVBAGLBSA-N	323.324	1.340	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(C(=O)O)cn2)c(N)cc1F	1600094987	CWYGAVPQEBDDFM-UHFFFAOYSA-N	304.281	1.566	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1ccc(F)c(C(=O)O)c1	1608479801	ZUDLPOMCVDLJPU-UHFFFAOYSA-N	318.264	1.385	50	20	DDGD	
Cc1ocnc1CNC(=O)NNc1ccc(CC(=O)O)cc1	1600861910	ZLWNWDCKKOCIPO-UHFFFAOYSA-N	304.306	1.436	50	20	DDGD	
C[C@H](CN1CCCCC1)NC(=O)NNc1cccc(C(=O)O)c1	1604164524	CSSZURYAKDYSIY-GFCCVEGCSA-N	320.393	1.885	50	20	DDGD	
CCc1oc(C=NNC(=O)N=c2cc[nH]cc2)cc1C(=O)O	1610080159	QAEFYYRZHPWDAG-UHFFFAOYSA-N	302.290	1.513	50	20	DDGD	
Cc1c(NNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)cccc1[N+](=O)[O-]	1610427510	XHGRCPSKKKKWQW-VHSXEESVSA-N	307.306	1.847	50	20	DDGD	
C[C@H](C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1ccc(F)cc1	1549321477	SULGZHBCPUSUFC-KCXAZCMYSA-N	319.380	1.894	50	20	DDGD	
Cc1ccc2c(c1)C(=NNC(=O)[C@H]1CN3CCC[C@H]3CO1)CC2	1549315701	CGDAOHRNLQEZFX-WMLDXEAASA-N	313.401	1.625	50	20	DDGD	
Cc1n[nH]cc1C=NNC(=O)[C@H]1CCCO[C@H]1c1nccn1C	1549309616	PAGHJZCBGLXMBE-QWHCGFSZSA-N	316.365	1.070	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@H]1C=NNC(=O)c1ccc[nH]1	1552454839	WKHKBEDAVHAVOQ-FZMZJTMJSA-N	301.350	1.632	50	20	DDGD	
N#Cc1ccc(NNC(=O)C2(C(=O)O)CCCCCC2)nc1	1574488228	OJBIWISZMYFYMQ-UHFFFAOYSA-N	302.334	1.822	50	20	DDGD	
CC(C)CCOc1ccc(C(=O)NNC(=O)C(C)(C)CN)cc1	1575581792	YAPZSBFDYVABSR-UHFFFAOYSA-N	321.421	1.857	50	20	DDGD	
Cc1ccc(NNC(=O)C2([C@]3(O)CCCNC3)CCC2)cc1F	1579724082	PPGOQXREPFQTHR-KRWDZBQOSA-N	321.396	1.862	50	20	DDGD	
CC(C)(C)[C@H](C(=O)O)C(=O)NN=c1cc[nH]c2ccccc12	1588632917	AWZZTRKVYRLHFN-ZDUSSCGKSA-N	301.346	1.847	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)C2(C(=O)O)CCCCCC2)CCCO1	1589181438	MIMJTXCKIRIIJN-CQSZACIVSA-N	312.366	1.128	50	20	DDGD	
Cc1cc[nH]c1C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843362680	FEPRMJZZGVPHLI-NSHDSACASA-N	313.760	1.675	50	20	DDGD	
NCCCSCCC(=O)NNc1cnnc2ccccc12	1580301066	PBYFAMOQZJBDEF-UHFFFAOYSA-N	305.407	1.545	50	20	DDGD	
CCc1ccc(NNC(=O)Cc2ccc(-c3nn[nH]n3)nc2)cc1	1590891721	XCPQBTMEZDGIHN-UHFFFAOYSA-N	323.360	1.510	50	20	DDGD	
COc1ccc(CCC(=O)NN=C2CC(CC(=O)O)C2)cc1	1599553080	YJPBLDKYDYMHOQ-UHFFFAOYSA-N	304.346	1.985	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(Cl)c(C(=O)O)c1	1596662831	JZEOQHJDAZYCHB-UHFFFAOYSA-N	301.686	1.821	50	20	DDGD	
O=C(O)Cc1cccc(NC(=O)NNc2ncccc2F)c1	1595133076	PJIQXZITYYGNBW-UHFFFAOYSA-N	304.281	1.996	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(C(=O)O)cn2)c(N)c1F	1599484038	MHBGNQLKCLCGOX-UHFFFAOYSA-N	320.280	1.267	50	20	DDGD	
CC(C)(CC=NNC(=O)c1cc(Br)c[nH]1)C(=O)O	1590653650	BJZFRWKLCMGPLG-UHFFFAOYSA-N	316.155	1.994	50	20	DDGD	
C[C@]1(C(=O)NCCSCCC(=O)O)C[C@@H]1Br	1593753461	ACOWGSCONLXDTI-XVKPBYJWSA-N	310.213	1.484	50	20	DDGD	
CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)CBr	1792989624	RKCJBBCGDHERIH-KXGXSXBTSA-N	317.227	1.676	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(C)cc2O)c(O)c1	169392939	GPGFDIZOGVNMSJ-UHFFFAOYSA-N	300.314	1.789	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCc2c(C)noc2Cl)[nH]n1	151188123	YUCFIURFUMLVQZ-UHFFFAOYSA-N	311.729	1.062	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NNC(=O)CC2CC2)[nH]n1	153423434	NGJXOPLCKAPNTE-UHFFFAOYSA-N	314.345	1.646	50	20	DDGD	
O=C(NNc1ncccn1)c1ccnc(OCC(F)(F)F)c1	159963910	YNXDKBWAOYMNKN-UHFFFAOYSA-N	313.239	1.570	50	20	DDGD	
C[C@H](CNS(=O)(=O)c1ccc(CCCl)cc1)CN(C)C	312782862	HWXUKCLMXININY-GFCCVEGCSA-N	318.870	1.944	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCc2ccc(O)cc2)c1	103601091	PCBXYBPZZDAJIL-UHFFFAOYSA-N	310.313	1.408	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCOC1)c1cccc(OC(F)F)c1	103041027	MLLQMGUSDIUTKV-JTQLQIEISA-N	314.288	1.476	50	20	DDGD	
CCO[C@@H](C(=O)NNc1ncnc2nc[nH]c12)c1ccccc1	173963721	JTLHMBDBTKERDG-GFCCVEGCSA-N	312.333	1.574	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1nc(-c2ccccc2)no1)N(C)C	106916943	FYXLTLLYICTMBS-LBPRGKRZSA-N	303.366	1.766	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Cc2cccc3ccccc23)cn1	9894612	HHNKXKINHUHAFQ-UHFFFAOYSA-N	308.341	1.577	50	20	DDGD	
NC(=O)NCCCCC(=O)NNc1nc(-c2ccccc2)no1	171190555	WOFGIIKXCRCBSW-UHFFFAOYSA-N	318.337	1.018	50	20	DDGD	
CCCN(C)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	113393187	TWGAGGIJDLOBMW-UHFFFAOYSA-N	301.350	1.569	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CSc1ccc(C#N)cc1	110758537	SPVHPFBKOHJADQ-UHFFFAOYSA-N	315.358	1.143	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1cscn1	103186984	BGINRRPTNNOBJL-UHFFFAOYSA-N	306.347	1.025	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)n2cnc3ccccc32)o1	176220471	OPZKVWJJNQZMDN-LLVKDONJSA-N	312.329	1.960	50	20	DDGD	
C[C@H]1CCC[C@@H]1NC(=O)NNC(=O)c1cccc(N(C)C)c1	104814411	KQSGWFAIGJXXPX-FZMZJTMJSA-N	304.394	1.885	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Nc2ccncc2)c1	56498830	TVTZBTAQJVDFKH-UHFFFAOYSA-N	300.318	1.622	50	20	DDGD	
Cc1nnc(S[C@@H](C)C(=O)NNC(=O)CC(C)C)s1	110103425	WWCRCDWPPWSVIM-ZETCQYMHSA-N	302.425	1.521	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cn1	172274311	OQAUXVIPQVUFAT-XHBSWPGZSA-N	319.409	1.579	50	20	DDGD	
CCOCCCNC(=O)NNC(=O)[C@@H](CC)c1ccccc1	67311814	ZNTFAGXZZKSZGT-AWEZNQCLSA-N	307.394	1.937	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cn1	117679004	OZWAAVNCCMVSPC-UHFFFAOYSA-N	323.696	1.057	50	20	DDGD	
CCc1ccc([C@H](COC)NC(=O)NNC(=O)c2ccc[nH]2)o1	175627175	ZKEGZLBEYONGBJ-LBPRGKRZSA-N	320.349	1.502	50	20	DDGD	
CC(=O)c1cccc(OCC(=O)NNC(=O)c2ccccn2)c1	26991643	IVVSTBXAVIVRHF-UHFFFAOYSA-N	313.313	1.124	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCO2)NNC(=O)NC1CCCC1	65920161	UKUWKYLKYGWGBE-UHFFFAOYSA-N	303.362	1.437	50	20	DDGD	
Cc1ccc([C@H](C)NC(=O)NNC(=O)c2cnn(C)c2)cc1	117959602	PDCKATZSOURRGG-NSHDSACASA-N	301.350	1.434	50	20	DDGD	
CC(C)[C@H](Cc1ccccc1)C(=O)NNC(=O)N1CCOCC1	172530102	AHOIPAPVYFMFCM-HNNXBMFYSA-N	319.405	1.574	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NNC(=O)Nc1cc(F)cc(F)c1	62929948	VFTAXWFIFVXQKW-FPLPWBNLSA-N	310.260	1.561	50	20	DDGD	
CCCCNC(=O)NNC(=O)C[C@@H]1OC(=O)c2ccccc21	64425535	CLSCKMGKJJQUJG-LBPRGKRZSA-N	305.334	1.419	50	20	DDGD	
Cc1cccc(CCC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c1	69641405	SLFAQGJWPPYIPP-OAHLLOKOSA-N	324.446	1.420	50	20	DDGD	
Cc1ccc2cc(C(=O)NNc3ncnc4nc[nH]c34)ccc2n1	127097093	QTCZBGGDYCUJQP-UHFFFAOYSA-N	319.328	1.966	50	20	DDGD	
O=C(CSc1ccc([N+](=O)[O-])cc1)NNc1ncc(F)cn1	122525896	XCCZCGNUQKWISS-UHFFFAOYSA-N	323.309	1.759	50	20	DDGD	
CN(NC(=O)Cc1csc(Cc2ccccc2)n1)C(N)=O	182670016	BXWNWPAZWVBTLV-UHFFFAOYSA-N	304.375	1.318	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNc1nc(-c2ccncc2)no1	76452298	OKADAOXNNPRWNJ-SNVBAGLBSA-N	305.338	1.780	50	20	DDGD	
CCOc1cccc(CNS(=O)(=O)CBr)c1	127126869	DEDRORIRAJIDQA-UHFFFAOYSA-N	308.197	1.857	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)CCc2ccccc2O)cn1	180329057	ZBUFCFIJZQCVSS-UHFFFAOYSA-N	316.361	1.393	50	20	DDGD	
CSc1ccccc1S(=O)(=O)NNC(=O)c1ccc[nH]1	188299808	NLUXJVREUBLKLT-UHFFFAOYSA-N	311.388	1.360	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NC[C@]1(C)CCCO1	126306786	IXZOHMXLKVJVSB-HNNXBMFYSA-N	306.366	1.900	50	20	DDGD	
O=C(NCc1cccc(CO)c1)NNc1nc2ccccn2n1	188648138	AQCOFOZYNBSSOL-UHFFFAOYSA-N	312.333	1.048	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1ccc([N+](=O)[O-])cc1	73117412	RSFCSSKTUZHHHC-UHFFFAOYSA-N	304.262	1.332	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(F)cc2)o1	129658783	IWIIFHZZWHYMJN-UHFFFAOYSA-N	305.265	1.127	50	20	DDGD	
CN(NC(=O)/C=C/c1ccccc1OC(F)(F)F)C(N)=O	182660638	VWUIVQWMZLKWSK-VOTSOKGWSA-N	303.240	1.640	50	20	DDGD	
Cc1ccc(C[C@H](C)C(=O)NNc2ccc(C(N)=O)nn2)cc1	181839961	GXUAWHIOPCLKJV-NSHDSACASA-N	313.361	1.206	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)Nc1nc2ccccc2s1	182709513	BZRFUMRCRAFOIJ-UHFFFAOYSA-N	316.346	1.415	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2cn(C(C)(C)C)nn2)c1	189681735	ULDVQTNNQJGHLN-UHFFFAOYSA-N	307.329	1.938	50	20	DDGD	
CSC[C@H](C)NC(=O)NNC(=O)c1cccc2ncccc12	77800998	IXJZCULHYDJRRZ-JTQLQIEISA-N	318.402	1.930	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)N[C@@H]1CC(=O)N(C2CC2)C1	181432620	PUCCPCCOJYGLEK-SECBINFHSA-N	309.757	1.124	50	20	DDGD	
COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(CCCl)cc1	48319724	YOSHRHHSFIQBDV-SECBINFHSA-N	305.783	1.308	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])c(Cl)c1	139163866	LXFPFIWLXIMWOA-JTQLQIEISA-N	313.697	1.188	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1cccc(Cl)c1F	48653599	XGBGHKZWOPCIRH-UHFFFAOYSA-N	308.762	1.835	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C2CC(=O)C2)c1C	136090361	HDQVUQBWKFOXLC-NSHDSACASA-N	304.346	1.197	50	20	DDGD	
O=C(CC1OCCCO1)NNC(=O)c1ccc(Cl)cc1F	193430587	UCTDJAXUELLEPA-UHFFFAOYSA-N	316.716	1.393	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1F)N[C@H]1CCSC1	83234925	NTUGVTKGCOFSHX-QMMMGPOBSA-N	317.773	1.929	50	20	DDGD	
O=C(C[C@@H]1CCCOC1)NNC(=O)c1cccc2ncccc12	193182428	YXLYIMATLONPPV-LBPRGKRZSA-N	313.357	1.813	50	20	DDGD	
N#C/C(=C/C=C/c1ccccc1)C(=O)N[C@H]1CCS(=O)(=O)C1	252511499	HIZRJTUEEKCQPM-OAMNWIKESA-N	316.382	1.453	50	20	DDGD	
COc1ccc(C=NNC(=O)c2cccnc2)c(OC)c1OC	254759284	KSNHYZVENWMWLP-UHFFFAOYSA-N	315.329	1.871	50	20	DDGD	
Cn1cccc1CNC(=O)NNC(=O)CCCc1ccccc1	266730604	KUWFZFUKDFGZBJ-UHFFFAOYSA-N	314.389	1.878	50	20	DDGD	
CC1(CNC(=O)NNC(=O)COc2ccccc2O)CCCC1	264645553	CXTTYFCXQUXSHC-UHFFFAOYSA-N	321.377	1.682	50	20	DDGD	
C[C@H](NC(=O)C1CCCC1)C(=O)NNc1ccc(Cl)nc1	266553412	SQWPCKKFQILDNH-VIFPVBQESA-N	310.785	1.873	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H]1CCC[C@@H](N(C)C)C1	267372810	KGYCIPSTAHYSBM-UONOGXRCSA-N	318.421	1.812	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCCN(C)C(=O)OC)cc1	264326049	YSODREJAOXPOHI-UHFFFAOYSA-N	321.377	1.488	50	20	DDGD	
O=C(NC[C@@H]1CCCCO1)NNc1ncnc2ccsc12	268872402	KUNNGRUTQCEYQQ-VIFPVBQESA-N	307.379	1.887	50	20	DDGD	
Cc1nn(C)cc1C(=O)NNC(=O)C(C)(C)c1ccccc1	264942960	UHVKYRBWJHDGLU-UHFFFAOYSA-N	300.362	1.467	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)COc1ccc(C)cc1)C(C)C	266783444	YKSANBKWKZBNFT-AWEZNQCLSA-N	323.393	1.375	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCC2(N(C)C)CCC2)cc1	275442230	KNDGRZUVWSMWIK-UHFFFAOYSA-N	318.421	1.677	50	20	DDGD	
COC(=O)CCCCC(=O)NNC(=O)COCc1ccccc1	275398935	ARPUZXINCTTZJC-UHFFFAOYSA-N	322.361	1.084	50	20	DDGD	
CNC(=O)c1ccc(C)c(NC(=O)NNC(=O)C2CCC2)c1	272807699	ITPBSYMXJCKRKZ-UHFFFAOYSA-N	304.350	1.307	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@H]1CCc2nccn2C1	364952739	JOCUUMLQLLHXKD-JTQLQIEISA-N	301.306	1.497	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)CC(C)C)ccc1NC(C)=O	273457559	DSURCICITJTCRE-UHFFFAOYSA-N	322.365	1.852	50	20	DDGD	
COc1nccnc1NNC(=O)Cc1ccc2c(c1)CCO2	274049295	GRLIOOKUDBQSMR-UHFFFAOYSA-N	300.318	1.106	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)N[C@H](C)CS(C)(=O)=O	282526797	VPUUBLNGLJKOKE-LLVKDONJSA-N	313.423	1.617	50	20	DDGD	
O=C(NNc1nnc(C2CC2)s1)c1cc(F)cc2[nH]nnc12	282741495	NFSWPHBDNKBXHF-UHFFFAOYSA-N	319.325	1.583	50	20	DDGD	
Cn1ccnc1[C@H]1CCN(C(=O)NNC(=O)c2ccccc2)C1	371055274	OMQLLBOFZFHQQZ-ZDUSSCGKSA-N	313.361	1.264	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@@H]2O[C@H](C)C[C@H]2C)cc1	282158183	MNTOFLLPYAGFTF-UEKVPHQBSA-N	321.377	1.068	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(CN2CCCC2)cc1	280847667	ABVSUXJMDDWNED-UHFFFAOYSA-N	318.446	1.577	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cc(C)nc(NC)n2)cc1	280860540	XMXUSKMWEMWBAV-UHFFFAOYSA-N	313.361	1.464	50	20	DDGD	
COC(=O)NNC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1	280642737	AOKFRXBJNBTENI-GFCCVEGCSA-N	321.333	1.175	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)/C=N/OC)cc1OC	283170035	GSOFKBMZJMHAOF-MHWRWJLKSA-N	323.349	1.267	50	20	DDGD	
CCCC(=O)N1CSC[C@H]1C(=O)NNc1cccc(F)n1	286658325	VDTNXKGVVXESLE-VIFPVBQESA-N	312.370	1.365	50	20	DDGD	
CC(C)c1ccoc1C(=O)NNC(=O)COc1ccccc1O	283266620	AIYSYWGKQCNRQB-UHFFFAOYSA-N	318.329	1.949	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccccc2OC2CC2)cn1	287353147	ASICIVFDOCGHRF-UHFFFAOYSA-N	300.318	1.036	50	20	DDGD	
O=C(NNc1ncccc1F)C(=O)Nc1cccc2c1OCO2	807300784	VLDIROTWKBHTEK-UHFFFAOYSA-N	318.264	1.031	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H]2CCN(C(C)C)C2=O)cc1	297415343	YANWIQXIDWQZGI-CQSZACIVSA-N	320.393	1.721	50	20	DDGD	
CC(=O)NNC(=O)c1ccccc1SCC(=O)NC(C)C	298202507	URJIUGQAKXAILB-UHFFFAOYSA-N	309.391	1.084	50	20	DDGD	
CCC[C@@H]1CCC[C@@H]1C(=O)NNC(=O)CNC(=O)c1ccco1	294494922	JGSQWVOQSZKSTN-NEPJUHHUSA-N	321.377	1.373	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)CN2CCSC2=O)c1	293993786	SUAJDHIHVUEARO-UHFFFAOYSA-N	308.363	1.257	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1ccc2nccn2c1	803428026	NYQRZLDFOUFEHM-UHFFFAOYSA-N	319.324	1.933	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C	807620867	RSPCHWWOHGJWLF-HIFRSBDPSA-N	318.421	1.636	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc2nn[nH]c2c1	805375953	FPWVZOLVIDMWSU-UHFFFAOYSA-N	312.289	1.931	50	20	DDGD	
CSSCCNC(=O)NCCCOC[C@@H]1CCCO1	806337433	BRLMQUASOLSEOP-NSHDSACASA-N	308.469	1.883	50	20	DDGD	
Cc1ccn2c(=O)c(C(=O)NNc3cccc(F)n3)cnc2c1	804768157	PYHMIGZDPFWPEK-UHFFFAOYSA-N	313.292	1.294	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@]1(C)Cc2ccccc2C(=O)O1	298931453	AQVHWQDSRMHUIS-INIZCTEOSA-N	304.346	1.352	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](C)c2c(F)cncc2F)nn1	805861080	FQKJWHDJCFDNEV-QMMMGPOBSA-N	308.292	1.846	50	20	DDGD	
CC[C@H](C)CCC(=O)OCC(=O)NNC(=O)c1cccs1	803879954	RUHIAFUEUJLHHP-JTQLQIEISA-N	312.391	1.879	50	20	DDGD	
COc1coc(C(=O)NNc2ccc([N+](=O)[O-])cc2C)cc1=O	805385102	NRFLGVGWWPVEKJ-UHFFFAOYSA-N	319.273	1.622	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1cc([N+](=O)[O-])cnc1O	299586995	PPOUAFKWJCJMTO-UHFFFAOYSA-N	308.294	1.037	50	20	DDGD	
C[C@H]1C[C@H](CCNC(=O)NNC(=O)c2ccc[nH]2)C[C@@H](C)O1	802511227	VEDJWURQQANIAG-ZSBIGDGJSA-N	308.382	1.552	50	20	DDGD	
CCNS(=O)(=O)c1ccc(C)c(C(=O)NN(C)C2CC2)c1	819641368	UCSRROSUQPFFNG-UHFFFAOYSA-N	311.407	1.032	50	20	DDGD	
O=C1NCCN(S(=O)(=O)CCl)[C@@H]1CC1CCCCC1	817152196	SKCPEQIDDUAQKW-LLVKDONJSA-N	308.831	1.283	50	20	DDGD	
CCn1ccnc1C=NNC(=O)CSc1ccccc1O	814970994	MEIATXHCEIKCFI-UHFFFAOYSA-N	304.375	1.851	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@@H]2C[C@H]3C=C[C@H]2CC3)n1	817167429	PCZSWZGFGKKGQQ-IHRRRGAJSA-N	314.389	1.936	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCCCCC1)c1cc(CO)on1	812224675	HPISRPPVYSTHCM-GFCCVEGCSA-N	322.409	1.519	50	20	DDGD	
CCOc1ccc(NNC(=O)Cc2c(C)nc(C)nc2O)cc1	817911142	JYRRPKBLYIIKGQ-UHFFFAOYSA-N	316.361	1.884	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(COCCOC)cc1	812534368	LEUKJHGVMSWLKD-UHFFFAOYSA-N	309.366	1.204	50	20	DDGD	
CN(C)c1ccc2c(c1)NC(=O)C2=NNC(=O)N=c1cc[nH]cc1	815002423	ABZXZMWQWNJITA-UHFFFAOYSA-N	324.344	1.047	50	20	DDGD	
O=C(O)CCCNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	819442976	DNCFGPGIISWVNQ-UHFFFAOYSA-N	323.393	1.398	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)c2ccnnc2)c(C)c1	817693297	JMPCQCGMYYCKTI-UHFFFAOYSA-N	314.345	1.324	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2cc(-c3nn[nH]n3)cs2)c1	826387173	JJSZJWNAUKIYKH-UHFFFAOYSA-N	311.330	1.557	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)c1ccc[nH]1)C1CCCCC1	823678451	JSMMYPNASNJVEZ-CYBMUJFWSA-N	308.382	1.554	50	20	DDGD	
CC(C)(C)NC(=O)CCNC(=O)NNC(=O)c1ccccc1F	728065418	QKQTWDJRHAOGSW-UHFFFAOYSA-N	324.356	1.075	50	20	DDGD	
CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1ccc(C)cc1C	728436701	SCFLDSNCZZLYCT-LBPRGKRZSA-N	311.407	1.081	50	20	DDGD	
COCc1nccc(NC(=O)NNC(=O)CC2CCCC2)n1	825489031	CDYDXDVPABZESB-UHFFFAOYSA-N	307.354	1.356	50	20	DDGD	
C=CCCC(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1	726655062	LSGOGFAVYAWWSF-UHFFFAOYSA-N	310.737	1.610	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2CCN(C(C)(C)C)C2=O)n1	827080952	RWANUKJGCUZKLN-SNVBAGLBSA-N	321.381	1.116	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C/C=C\Cc1ccccc1	824016875	UOZGNLVQOSSOCL-PKFHVXLBSA-N	302.374	1.748	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NNC(=O)Nc1ccc(OC)cc1	490943514	RVNLBMJKDQEKIH-MDZDMXLPSA-N	304.306	1.292	50	20	DDGD	
C[C@H]1CN(C(=O)/C(C#N)=C/c2cnn(C)c2)CCN(C2CC2)C1	491136913	WNPDFSFMUIWJSY-BKNIFWKGSA-N	313.405	1.270	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)Cc2cn3ccccc3n2)CC=CCC1	826758421	LSJQRVSNZFGMQW-KRWDZBQOSA-N	312.373	1.771	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(N2CCC(C)CC2)nc1	823855729	DKMNTRYICPGDOO-UHFFFAOYSA-N	306.410	1.277	50	20	DDGD	
O=C1C[C@@H](C(F)(F)F)[C@H](C(=O)NNc2cccc(F)c2)CN1	821147861	LPJKMIGLMRRTEG-NXEZZACHSA-N	319.258	1.583	50	20	DDGD	
O=C(NNC(=O)c1cccc(C(=O)O)c1)NC1CCCCC1	821451860	MFCHCYCMFYQCAB-UHFFFAOYSA-N	305.334	1.662	50	20	DDGD	
C[C@@H](C[C@H](O)c1cccs1)NCc1ccccc1B(O)O	585035587	VMVKZWBIGATCLI-FZMZJTMJSA-N	305.208	1.030	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H](C)CC(=O)O)c1	825636750	SFEYHUZILWLGHT-VIFPVBQESA-N	305.359	1.096	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccc2cc(OC)ccc2c1	496960650	HDZLIPJHASHCQA-UHFFFAOYSA-N	317.301	1.174	50	20	DDGD	
CC(C)[C@H](C=NNC(=O)C(C)(C)O)CNC(=O)OC(C)(C)C	492151483	WFJDMBDTMZCDCP-NSHDSACASA-N	315.414	1.656	50	20	DDGD	
CCN(CCO)NC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F	823846168	CVHAZPXLJBALDT-UHFFFAOYSA-N	322.331	1.616	50	20	DDGD	
Cc1csc(C(=O)NN(C)[C@@H](C)CO)c1Br	823928668	QEULYLVWPMLDBO-ZETCQYMHSA-N	307.213	1.776	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)c(C)c1	905096153	SBGDXGHNJVJPRD-LEWSCRJBSA-N	317.414	1.846	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cccc(C(=O)N(C)C)c1	901259042	NYJNZZORLQUTCM-FZMZJTMJSA-N	303.362	1.264	50	20	DDGD	
Cn1cc(/C=C\C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cn1	731785214	SSRXNNKPKCISEB-SREVYHEPSA-N	323.356	1.305	50	20	DDGD	
Cn1cc(CC(=O)NNC(=O)[C@@H]2CCCCO2)c2ccccc21	833251538	ZTXZOLTXSFQOFP-HNNXBMFYSA-N	315.373	1.437	50	20	DDGD	
O=C(CCOC[C@@H]1CCCO1)NNc1ccc(F)cc1F	733362323	YBXMXUFRXUOQCD-NSHDSACASA-N	300.305	1.994	50	20	DDGD	
CC(C)C[C@@H](NC(=O)O)C(=O)NNC(=O)Cc1ccsc1	736417992	ZHKIMBKWLWNWDM-SNVBAGLBSA-N	313.379	1.120	50	20	DDGD	
CC[C@@](C)(CNC(=O)NNC(=O)Cc1ccc(F)cc1)OC	836578120	NIZPFCFSLSKPOO-HNNXBMFYSA-N	311.357	1.514	50	20	DDGD	
CC(CCC1CCCCC1)=NNC(=O)[C@H](C)NS(C)(=O)=O	731927879	WMHWZVHXAINPDQ-LBPRGKRZSA-N	317.455	1.777	50	20	DDGD	
CC[C@@H]1C[C@H]1CNC(=O)NNC(=O)Cc1ccccc1OC	836590227	KNMUTAMWUWQDKH-YPMHNXCESA-N	305.378	1.614	50	20	DDGD	
O=C(NC[C@@H]1CCCC(F)(F)C1)c1ccc(B(O)O)c(F)c1	584987627	XFXIZOBLYFNZBQ-SECBINFHSA-N	315.100	1.061	50	20	DDGD	
CC1(C)C[C@@H]1CNC(=O)NNc1cccc(-c2nn[nH]n2)c1	736212022	VTKXJKHSRNHIAS-SNVBAGLBSA-N	301.354	1.539	50	20	DDGD	
Cc1ccc(N2CCCC2)c(C(=O)N2CC[C@@H](B(O)O)C2)c1	585069710	PJHNFAMRNBICRF-CYBMUJFWSA-N	302.183	1.284	50	20	DDGD	
C[C@@H]1CC[C@@H](C)C(=NNC(=O)Cc2cc(O)nc(S)n2)C1	834936637	BABFQIQQRLPMAT-RKDXNWHRSA-N	308.407	1.942	50	20	DDGD	
O=C(N[C@@H]1C[C@H]2c3ccccc3CC[C@H]12)c1ccc(B(O)O)cc1	585008675	LRRNIEZNBKQMOW-OKZBNKHCSA-N	321.185	1.215	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C[C@@H]1Br	906901784	YNCJCESMJKVIPQ-FDOIEUKUSA-N	301.184	1.039	50	20	DDGD	
CCCN1C[C@H](C(=O)NNc2cccc(F)c2[N+](=O)[O-])CC1=O	839749972	XEUFNVSPFNZTIT-SECBINFHSA-N	324.312	1.436	50	20	DDGD	
Cn1nc(C2CC2)cc1S(=O)(=O)NNC(=O)CC(C)(C)C	901886937	ANCRFUGUEZXHRO-UHFFFAOYSA-N	314.411	1.043	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(F)c(NC(=O)O)c1	738492553	WULZKZIBXXTWFW-UHFFFAOYSA-N	312.326	1.211	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NN=C2CCCS(=O)(=O)C2)c1	731925121	YVEXRZGMYOCXPO-UHFFFAOYSA-N	324.402	1.363	50	20	DDGD	
C[C@H]1CCC[C@H](OCC(=O)NNC(=O)Cc2cccnc2)C1	732936223	GCKGAZAGUBMRFY-JSGCOSHPSA-N	305.378	1.367	50	20	DDGD	
CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)c1cccc(B(O)O)c1	584962979	NRZPHVBTLCDOSC-GJZGRUSLSA-N	319.210	1.032	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)C1CCSCC1	732952349	SVDLSXVXMGSMDI-UHFFFAOYSA-N	318.402	1.547	50	20	DDGD	
C[C@@H]1CC[C@H](CNC(=O)NNC(=O)Cc2ccc(F)cc2)O1	838742179	OUTLQQLGOAXQPN-ZWNOBZJWSA-N	309.341	1.266	50	20	DDGD	
CC(C)CCNC(=O)[C@H]1CSCN1S(=O)(=O)CCl	830397653	QUZRAIYMWVCZIP-SECBINFHSA-N	314.860	1.050	50	20	DDGD	
COC[C@H](OC)C(=O)NNc1ccccc1OC(F)(F)F	832517848	QUHCFLAUDYOGHL-JTQLQIEISA-N	308.256	1.690	50	20	DDGD	
CON1CCC(=NNC(=O)c2ccc3c(c2)OCCO3)CC1	834937547	SBOQPYFYYOLETF-UHFFFAOYSA-N	305.334	1.201	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H]1CCCc2nn[nH]c21	831711428	FZOAOVMQQZIMHF-SNVBAGLBSA-N	315.333	1.155	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2c(CO)cnc(C)c2O)c(O)c1	917549163	RLZOKMICVVIBGG-UHFFFAOYSA-N	315.329	1.366	50	20	DDGD	
C[C@@H](N)C[C@@H](C)NC(=O)NNC(=O)c1cc2c(s1)CCC2	831197959	WUCMVQRGYYMJOQ-RKDXNWHRSA-N	310.423	1.307	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)c1ccc(Br)cc1	916093682	NHWVGTZOJDXHTM-UHFFFAOYSA-N	309.123	1.247	50	20	DDGD	
CCc1ccc([C@H](C)C(=O)NNc2nccn(C)c2=O)cc1	747942238	PIYGTLJCGVFXLA-NSHDSACASA-N	300.362	1.590	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccnc(Cl)c1Cl	911504777	KOPTZKKHZJGCLT-RQJHMYQMSA-N	318.160	1.574	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)CNc1ccccc1)n1ccnc1	846627960	LPCDGILVGXOJBT-LBPRGKRZSA-N	301.350	1.094	50	20	DDGD	
COc1ccccc1OCC(=O)NNc1cc(Cl)nc(C)n1	747980738	XZZOVYSDBQWQKZ-UHFFFAOYSA-N	322.752	1.969	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNc2cccc([N+](=O)[O-])c2)cc1	748006483	SETLZVWHMRKUDI-UHFFFAOYSA-N	312.285	1.989	50	20	DDGD	
COc1ccc(-c2nc(C)c(C(=O)NNC(C)=O)s2)cc1	747421942	FQLIRCCOWJDDEA-UHFFFAOYSA-N	305.359	1.908	50	20	DDGD	
O=C(CCn1ccnn1)NNC(=O)c1cccc2ccccc12	741576677	QMVPLEQJZKHNFI-UHFFFAOYSA-N	309.329	1.283	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2ccnn2CC(C)C)n1	842525337	NMKFKAFHWDKWAT-UHFFFAOYSA-N	305.407	1.997	50	20	DDGD	
CC(=NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)c1ccccc1C(=O)O	844612947	WBOOGEYKKDDYRQ-DDTOSNHZSA-N	302.330	1.793	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)OCC[C@H](C)O)c1C	849617174	HPXQLEMNEWLTLC-ATTDUZETSA-N	320.389	1.972	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=Cc1ccc([N+](=O)[O-])cc1	747637676	FMYIIOYVARYICG-UHFFFAOYSA-N	323.312	1.935	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1c[nH]nc1-c1c(F)cccc1F	910160454	IWAVTVGHKGXPPM-MRVPVSSYSA-N	310.304	1.312	50	20	DDGD	
C[C@H](CC(=O)NNc1ncncc1F)N1CCc2ccccc21	848122307	KPZJSUNLTVHQMR-LLVKDONJSA-N	315.352	1.900	50	20	DDGD	
CC1=C(C(=O)NNc2cccc(F)c2)[C@H](C)n2nnnc2N1C	847601723	DQGCZYDGZPFLBW-VIFPVBQESA-N	317.328	1.240	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(C(C)(C)C#N)cc1	843656354	PGDYPJQTWKDHHS-RISCZKNCSA-N	315.373	1.674	50	20	DDGD	
O=C(NNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1cccc(Cl)c1	917912464	LPMFLHCUKBPYQE-UHFFFAOYSA-N	308.681	1.651	50	20	DDGD	
C[C@H](C(=O)NNc1nc(-c2ccccc2)no1)c1cnn(C)c1	749988101	RYFYBUOJLOPZGE-JTQLQIEISA-N	312.333	1.717	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCCCC1)c1cc2n(n1)CCC2	841614049	FQGMEXXXNCZDHP-CYBMUJFWSA-N	317.437	1.792	50	20	DDGD	
O=C(NCc1cc[nH]n1)NNC(=O)c1cccc2cccnc12	747538163	TYXKVOHNGTYKEO-UHFFFAOYSA-N	310.317	1.102	50	20	DDGD	
Cc1cc2c(cc1S(=O)(=O)NCCCSC#N)OCO2	916992762	YGYVFSGEQSKCLG-UHFFFAOYSA-N	314.388	1.606	50	20	DDGD	
O=C(NN=Cc1csc2ccccc12)C(=O)N1CCCC1	748136803	RCSLVTIUKGUFJY-UHFFFAOYSA-N	301.371	1.974	50	20	DDGD	
CN(C)CCn1nccc1C(=O)NNc1ccc(Cl)cn1	912691108	WMYJTWWZWMKSLI-UHFFFAOYSA-N	308.773	1.250	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSc1nncc2ccccc12	842534953	CMXIYLZIGAVDNA-UHFFFAOYSA-N	318.402	1.915	50	20	DDGD	
COc1cc(C)nc(NNC(=O)COc2ccc(C#N)cc2)n1	746631390	ZAVOBOYXQYFXHX-UHFFFAOYSA-N	313.317	1.187	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccc(F)cc2OC)c(C)n1	846641796	PTBKFRJODXXDPA-UHFFFAOYSA-N	322.340	1.743	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCOc1ccccc1F	843977013	SOYTZLMXPWRVOF-GHMZBOCLSA-N	310.325	1.167	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)Cc2cc(C)on2)cc1	846373792	DSMQLSYSPNFOFT-UHFFFAOYSA-N	303.318	1.384	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccncc2F)c1	741207737	YYDRAVPHXRNDNL-UHFFFAOYSA-N	317.320	1.678	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCC1(C)CCNCC1	841969283	JEPXQJCDZDWLPQ-UHFFFAOYSA-N	320.393	1.029	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CSc1ccc(F)cc1	843649829	XUFMZZJVOMKORU-BXKDBHETSA-N	312.366	1.490	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H](C)COCC2CC2)n1	845582608	PFUMYKXERPRONL-JTQLQIEISA-N	309.370	1.235	50	20	DDGD	
COC(=O)Nc1cccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	843645125	FDANAUBLQDILAD-CABZTGNLSA-N	321.333	1.051	50	20	DDGD	
CN(C)c1nccc(NNC(=O)C2(c3cccc(F)c3)CC2)n1	740104330	HYCAKNGVNFQUOT-UHFFFAOYSA-N	315.352	1.857	50	20	DDGD	
O=C(Cc1ccncc1)NN=C1CCC(O)(C(F)(F)F)CC1	747642753	YAMZYCHWEBWQBU-UHFFFAOYSA-N	315.295	1.964	50	20	DDGD	
CCCN(CC)Cc1ccc(C(=O)NNc2cnnn2C)cc1	857271133	BGGZXDWWGUNGTK-UHFFFAOYSA-N	316.409	1.804	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc2c(nc1O)CCCCC2	854923609	BQGPRKQWRPDTGC-UHFFFAOYSA-N	308.407	1.137	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NOCC(C)C)cc1C	750467483	AFIZGWPEARESCL-UHFFFAOYSA-N	309.366	1.600	50	20	DDGD	
Cc1ccc(F)cc1C(=O)C(=O)NNC(=O)OCC(F)(F)F	856022383	AUCRFLWBTOAMPP-UHFFFAOYSA-N	322.214	1.637	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1cnn(C(C)(C)C)c1	756794360	FSLWDYZIEVVFNT-UHFFFAOYSA-N	305.342	1.136	50	20	DDGD	
C[C@H](CCS(C)(=O)=O)NC(=O)NNc1ccc(Cl)cn1	852210178	XZZCMEKJZWBGNY-MRVPVSSYSA-N	320.802	1.184	50	20	DDGD	
CCc1csc(CC(=O)NNC(=S)N[C@@H](C)C2CC2)n1	855096444	BAMZKUGHPGXFHX-QMMMGPOBSA-N	312.464	1.542	50	20	DDGD	
O=C(NNc1cc(Cl)cc(Cl)c1)N[C@@H]1COC(=O)C1	923746251	BWLFMVWMNVNADP-VIFPVBQESA-N	304.133	1.935	50	20	DDGD	
CC[C@@H](C)NC(=O)COC(=O)/C(C#N)=C\c1ccc(O)cc1	754535693	IFPGYNLXDOQUHJ-JYVXZMADSA-N	302.330	1.757	50	20	DDGD	
CCN(CC)C[C@@H](C)NC(=O)NNc1ccc(Cl)nn1	921119512	CHGPYVSDUACKLE-SECBINFHSA-N	300.794	1.486	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCc2c[nH]nc2C1	750795956	WXOLPNXQVOUWRI-UHFFFAOYSA-N	307.785	1.660	50	20	DDGD	
COCCCNC(=O)NN=Cc1cnn(Cc2ccccc2)c1	920829577	IQCNPPBYRBTXRF-UHFFFAOYSA-N	315.377	1.601	50	20	DDGD	
C[C@](O)(CNC(=O)NNC(=O)C1CCCC1)c1ccsc1	753355510	QMDUWJLPKKBWLO-AWEZNQCLSA-N	311.407	1.476	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@H](C)C2(CO)CC2)cc(C#N)n1C	855480172	YIVJHYILQIWVBG-KXQKXUNCSA-N	312.373	1.389	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2cc(F)cc(Cl)c2)CCC(=O)N1	854124959	VMOXHHSJMRLOQK-ZDUSSCGKSA-N	314.748	1.774	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2cncc(F)c2)c1	759112140	OHMPKSIPBXWEDS-UHFFFAOYSA-N	319.292	1.313	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccccc2O)c(C(F)F)n1	755224822	BBOLYNRVGHCGHY-UHFFFAOYSA-N	310.260	1.138	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CCc3nnn(C)c3C2)cc1F	856225607	KUOBQEXCXNBPJI-SNVBAGLBSA-N	303.341	1.511	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CCn2cc([N+](=O)[O-])cn2)c1	862478270	ULTBQZMPSHRXEK-UHFFFAOYSA-N	323.334	1.013	50	20	DDGD	
COCCOCC(=O)NNC(=O)[C@@H]1CCC[C@@H]1c1ccccc1	869904113	PVHRCHSSAVBZDB-HUUCEWRRSA-N	320.389	1.381	50	20	DDGD	
COc1cccc2c(C(=O)NN[C@@H](C)C(F)(F)F)n[nH]c12	862319313	BCCMRENWCISXJV-LURJTMIESA-N	302.256	1.757	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)CC(F)(F)F)COc2ccccc2O1	862057387	BUTXAOHYAXPANR-LBPRGKRZSA-N	318.251	1.316	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)Cc1ccco1	764550867	ABTCJVWRCKZDQN-JTQLQIEISA-N	306.293	1.576	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNC(=O)C2CCCC2)cc1	764076823	HIIAUHKFQBZRAZ-UHFFFAOYSA-N	319.361	1.361	50	20	DDGD	
CC(C)CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccn1	760238843	GGSKDAKSAOBROP-LBPRGKRZSA-N	323.418	1.383	50	20	DDGD	
COc1cccc(F)c1C(=O)NNc1ncccc1[N+](=O)[O-]	761580970	KFPWZLYFCKZAMZ-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
CC(C)c1ccc2c(c1)C(=NNC(=O)[C@H]1CCC(=O)N1)CCO2	863145350	NESSXWJIALVVPE-CQSZACIVSA-N	315.373	1.691	50	20	DDGD	
C[C@@H](NNC(=O)c1cccc2c1oc(=O)n2C)C(F)(F)F	862314751	IRRUSNQGTVUFRB-ZCFIWIBFSA-N	303.240	1.317	50	20	DDGD	
Cc1ncc([C@H](C)NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)s1	868735839	KBOYBCFARIYNLA-QXFUBDJGSA-N	312.395	1.268	50	20	DDGD	
C[C@@](O)(CNC(=O)CCCC[C@H]1CCSS1)C(=O)O	769742201	JLOAFXLUCGNHFD-JOYOIKCWSA-N	307.437	1.652	50	20	DDGD	
Cc1cccc(NNC(=O)c2ccnc(O[C@@H]3CCOC3)c2)n1	862521678	WNFNJIIXPJXMJQ-CYBMUJFWSA-N	314.345	1.710	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NNC(=O)COc1ccc(F)cc1	862992234	COHXNBQRIGJYQB-CYBMUJFWSA-N	323.368	1.225	50	20	DDGD	
O=C(NNC(=O)c1csc(NC2CC2)n1)c1ccccn1	768903283	AMEUQJLASOWLGB-UHFFFAOYSA-N	303.347	1.187	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CSc2ccccc2O)no1	764045811	AHHZDVWZZHLNJM-UHFFFAOYSA-N	307.331	1.242	50	20	DDGD	
C[C@@H](C(=O)NNc1ncnc2ccsc12)c1cnn(C)c1	766678469	FLGYQVUAEKMMRQ-MRVPVSSYSA-N	302.363	1.672	50	20	DDGD	
CN(C)CCn1cc(C(=O)NNc2cccc(F)c2F)cn1	866878477	UDSAZNKXFSVFEO-UHFFFAOYSA-N	309.320	1.480	50	20	DDGD	
CC[C@H](C(=O)NN=Cc1cn(CC(=O)O)nn1)c1ccccc1	768485579	SETVJTJGKMMVQL-ZDUSSCGKSA-N	315.333	1.007	50	20	DDGD	
Cc1ncc(C(=O)NN=c2sc3ccccc3n2C)c(N)n1	769475667	YPTGYLMGZQBMDI-UHFFFAOYSA-N	314.374	1.166	50	20	DDGD	
COc1ccnc(NNC(=O)C(=O)c2ccc(Cl)s2)n1	760115331	XCDFUXMPKWGBQD-UHFFFAOYSA-N	312.738	1.526	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H](C)CC(N)=O)c(C)c1	873760365	BPTUCYJSXPJOIB-SNVBAGLBSA-N	308.407	1.133	50	20	DDGD	
CNC[C@H](C)CNC(=O)NNc1cccc(C(=O)OC)c1F	1118031597	DFSSGSIYUKXIFG-VIFPVBQESA-N	312.345	1.094	50	20	DDGD	
Cc1c(Cl)cccc1C=NNC(=O)[C@@H](C)NS(C)(=O)=O	872351164	QVRFCTNUMWFCLF-SECBINFHSA-N	317.798	1.036	50	20	DDGD	
CC[C@H](C)CC[C@@H](O)CC(=O)NNC(=S)Nc1ccccn1	874956318	SPXSBXZBKGKJMX-NWDGAFQWSA-N	324.450	1.977	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)c2cnccn2)c1F	771268644	ZVQAKVGSUAETBO-UHFFFAOYSA-N	305.269	1.091	50	20	DDGD	
COc1cc(C(=O)NNc2cc(F)c(F)cc2F)nn1C	773468416	OAOXXUSFINGOFP-UHFFFAOYSA-N	300.240	1.603	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCN(C)[C@@H]2C)c1	873776341	GMYZMMAEVVMJNB-DGCLKSJQSA-N	306.435	1.653	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C2CC(OC)C2)c1	874952225	OIWYCRAHSYAJFQ-UHFFFAOYSA-N	303.387	1.411	50	20	DDGD	
CCC(C)(CC)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	772363743	PJKXJOXCKVUEMH-NSHDSACASA-N	300.399	1.938	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)OCc2nc(O)n[nH]2)c1	774902784	SCBNPUVPACBTQJ-YHYXMXQVSA-N	300.274	1.169	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@]1(C)CC(c2ccccc2)=NO1	873765821	QEPXYDUJKXEMSW-HNNXBMFYSA-N	318.402	1.251	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccn(-c2ccccc2F)n1	770548234	DDUITKDCCPFWDA-UHFFFAOYSA-N	305.313	1.318	50	20	DDGD	
CCc1ccc(C(=O)NNc2nc(O)c3cnn(C)c3n2)s1	770982619	IVDJQHQXKYWVDZ-UHFFFAOYSA-N	318.362	1.450	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)C1(C(N)=O)CC1	873854789	UZDMIBIUISKEHJ-UHFFFAOYSA-N	320.418	1.141	50	20	DDGD	
O=C(NN=CCCc1ccc2c(c1)OCCO2)c1cccnn1	1119301724	FMMILNNITHITSJ-UHFFFAOYSA-N	312.329	1.596	50	20	DDGD	
O=C(CN1CCCNC1=O)NNc1c(F)cccc1Cl	771672582	JKEDCOMVMXKAKG-UHFFFAOYSA-N	300.721	1.338	50	20	DDGD	
CC(C)(C)c1nsc(NC(=O)NNc2ncc(F)cn2)n1	775598963	BEHHIGIZARRCLW-UHFFFAOYSA-N	311.346	1.913	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H](C)N1CCSCC1	772843005	YCJNBEYSBHEBES-LLVKDONJSA-N	309.439	1.480	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C(C1CC1)C1CC1	772215790	KACWWRROVOOINW-JTQLQIEISA-N	310.394	1.548	50	20	DDGD	
C[C@@H](CCc1cccc(F)c1)C(=O)NNC(=O)c1cccnn1	882057994	LCKHJOJZMKZFDP-NSHDSACASA-N	316.336	1.646	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCC(=O)N1CCC[C@@H](C)C1	1122013297	OSBKFZQKNPYZFQ-GFCCVEGCSA-N	319.409	1.665	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)[C@@H]2CCCCO2)c1C1CC1	880156646	MXSBGLANHUPZBX-LBPRGKRZSA-N	306.366	1.111	50	20	DDGD	
Cc1ccc(-n2cnnc2)c(C(=O)NNC(=O)c2ccccn2)c1	789943314	VDXYQRWBFQRMHT-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
C[C@H]1CCCC(=NNC(=O)Cc2cc(O)nc(S)n2)[C@H]1C	781124088	UYQRGKSCJRNJKJ-IUCAKERBSA-N	308.407	1.942	50	20	DDGD	
CS[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1cccnn1	883707972	VGMXEJXQDPPRNV-MWLCHTKSSA-N	309.395	1.095	50	20	DDGD	
COc1ccc(COCC(=O)NNc2ccc(OC)cn2)cc1	781527207	BZHLUWKPUMTECQ-UHFFFAOYSA-N	317.345	1.759	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Cc1ccc(Cl)cn1	786280622	TYDUOYPOZVPJLJ-UHFFFAOYSA-N	304.737	1.063	50	20	DDGD	
O=C(NCCCC1CCCCC1)NNC(=O)c1cccnn1	883128808	WHQGMXRLMZJRCN-UHFFFAOYSA-N	305.382	1.781	50	20	DDGD	
CCOc1ccc(C=NNC(=O)[C@@H](C)OCCOC)cc1F	782242840	ODKGZCGYKVMYCC-LLVKDONJSA-N	312.341	1.726	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)[C@H](O)C1CCCCC1	783688024	AAPSLBZSWAVIKR-LLVKDONJSA-N	318.299	1.880	50	20	DDGD	
COC(=O)CCCc1nc(COC(=O)/C(C#N)=C\C2CC2)no1	786680041	GCKJQYDTAGYYJN-XFFZJAGNSA-N	319.317	1.468	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCCCO)c1C	897555436	SMIACXZUXPDHJY-XNTDXEJSSA-N	306.362	1.584	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)NC[C@H]2C[C@H](N)C2)cc1	892582083	QBNXFCPVNLNGAH-YEORSEQZSA-N	318.421	1.665	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)c1cnn(C)c1)c1cccnc1	797879672	KJBHBKUUDWJYHF-CYBMUJFWSA-N	301.350	1.016	50	20	DDGD	
COC/C=C/C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	791296970	PFWOEBCBXHDRJM-YSKGHYERSA-N	306.362	1.421	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)c1cccc(C)n1)c1ccccc1F	795465403	BQQJSVAQXZUQKS-AWEZNQCLSA-N	317.320	1.678	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H](O)c1cccc(C(F)(F)F)c1	795626751	UMAYEENJDZVQMS-SNVBAGLBSA-N	319.283	1.479	50	20	DDGD	
COc1ccc(-c2nc(/C=C(/C#N)S(N)(=O)=O)cs2)cc1	799894444	VBJDMJRCZJDRAJ-SDQBBNPISA-N	321.383	1.972	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@H](OC)[C@H](C)CC)nc1C	793784085	VDLBPZMHTMQLNW-BXKDBHETSA-N	324.381	1.466	50	20	DDGD	
Cc1ccc(F)c(S(=O)(=O)NNC(=O)c2cccc(C)n2)c1	794601359	PSBNRPJQQRAKBH-UHFFFAOYSA-N	323.349	1.461	50	20	DDGD	
COc1cncc(C(=O)NNC(=O)c2cc3ccccc3o2)n1	790736198	MFDYDLCACBJBLT-UHFFFAOYSA-N	312.285	1.306	50	20	DDGD	
COc1ccnc(NNC(=O)c2cccc([N+](=O)[O-])c2OC)n1	793012995	NLMGOYBHGCDBPE-UHFFFAOYSA-N	319.277	1.159	50	20	DDGD	
CC(=O)NNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1	1317704794	UPXTWQCDQFZQFK-UHFFFAOYSA-N	304.350	1.098	50	20	DDGD	
CC(=NNC(=O)C[N+](C)(C)C)c1cccc(Br)c1	1317703044	AUODLSHFMZSHSH-UHFFFAOYSA-O	313.219	1.996	50	20	DDGD	
CC(C)(C=NNC(=O)CCCc1ccccc1)S(C)(=O)=O	1319705304	ILYANBXQUULQKK-UHFFFAOYSA-N	310.419	1.935	50	20	DDGD	
CC(C)CNC(=O)CNC(=O)NC[C@@]1(C)C[C@H]1Br	1328495636	YIIMJBULBKMSJL-BXKDBHETSA-N	320.231	1.231	50	20	DDGD	
O=C(NC/C=C\C1CC1)NNC(=O)c1cc([N+](=O)[O-])ccc1O	1325498737	OEAOSLYRAHJWNC-UPHRSURJSA-N	320.305	1.211	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCC[C@H]1CCCCO1	1328142744	GSTDGWVWCROAJY-XQQFMLRXSA-N	313.398	1.091	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CN3CCCN2CC3)cc1Cl	1324584180	GFYBTHZEVDXQAH-CQSZACIVSA-N	308.813	1.481	50	20	DDGD	
COCC1(CNC(=O)NNC(=O)c2ccc(OC)cc2)CCC1	1325203693	NPBSKTMAVKOMMH-UHFFFAOYSA-N	321.377	1.456	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)nc2ccccc12	1326336811	UCPSDRYCKXTYIJ-WCQYABFASA-N	313.357	1.729	50	20	DDGD	
O=S(=O)(c1ccc(CCl)cc1)N1C[C@H]2COC[C@H]2C1	718373494	KFQPDGHZAQNMGQ-TXEJJXNPSA-N	301.795	1.692	50	20	DDGD	
COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cccc(CCl)c1	1338927784	XLIIYBBFWZDDEQ-ZDUSSCGKSA-N	321.764	1.663	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2cccnc2)cc1	1251911126	MHYAZQCDSSWLCH-LLVKDONJSA-N	315.329	1.319	50	20	DDGD	
CO[C@H]1CCC[C@H]1C(=O)NNC(=O)Cn1ccc2ccccc21	1337068424	SODKSDMTAROLBF-HIFRSBDPSA-N	315.373	1.604	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)C2(O)Cc3ccccc3C2)c1	1335329357	HNXNYRDCOXANLE-UHFFFAOYSA-N	316.382	1.347	50	20	DDGD	
CCOc1cc(C(=O)NNC(=O)c2ccc(CC)cc2)[nH]n1	1333766235	HCYTZPUTDQDUJW-UHFFFAOYSA-N	302.334	1.446	50	20	DDGD	
C[C@]1(COC(=O)c2cc3n(n2)CCCO3)C[C@@H]1Br	1344051196	VHWALFGWXFEQQL-JOYOIKCWSA-N	315.167	1.996	50	20	DDGD	
CCOc1cc(C=NNC(=O)CCO)ccc1OC(=O)CC	1348542989	LQJMJKAPQCWVIZ-UHFFFAOYSA-N	308.334	1.233	50	20	DDGD	
CC(C)CN1CCC[C@H]1C(=O)NNC(=S)N[C@H](C)C1CC1	1358367699	IAMHGSBQECMIAO-YPMHNXCESA-N	312.483	1.401	50	20	DDGD	
O=C(C1CCC(Cl)CC1)N1CCC(N2CC[C@@H](O)C2)CC1	1350091023	GRQRTSRCLWSRDZ-SSDMNJCBSA-N	314.857	1.842	50	20	DDGD	
CO[C@H]1CCCC(=NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	1609314137	COKXHMYUKJDDMV-ZDUSSCGKSA-N	314.349	1.542	50	20	DDGD	
Cn1ccc(CCC(=O)NNc2ccc(C(=O)O)c(F)c2)n1	1600976860	XIOJKBUYEXCDDE-UHFFFAOYSA-N	306.297	1.333	50	20	DDGD	
Cc1c(NNC(=O)NCCOCC2CC2)cccc1C(=O)O	1600053801	UJCJMZKRBQWDRK-UHFFFAOYSA-N	307.350	1.746	50	20	DDGD	
Cc1oc(C=NNC(=O)[C@H](C)CN2CCCCC2)cc1C(=O)O	1600838016	LHETUMBJMYAQEC-LLVKDONJSA-N	321.377	1.858	50	20	DDGD	
Cc1oc(C(=O)O)cc1C(=O)NN=c1cc[nH]c2cccnc12	1600827398	IUMJXOLHSMCQGM-UHFFFAOYSA-N	312.285	1.408	50	20	DDGD	
O=C(NNC(=O)C(=O)O)N[C@@H]1CCC[C@H](c2ccccc2)C1	1601553088	UAWYRPJEVHNWNU-NWDGAFQWSA-N	305.334	1.128	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)ccc1F	1602286481	IJOBHMFQECCOHW-IAUWMGRQSA-N	306.293	1.390	50	20	DDGD	
O=C(CN1CCCCCCC1=O)NNc1ccc(C(=O)O)cn1	1608331639	WFMTYLURTJBBAE-UHFFFAOYSA-N	320.349	1.016	50	20	DDGD	
Cc1cccc(C(=O)NN[C@H](C(=O)O)c2ccccc2F)n1	1607839458	KQCWPXPNMOUGNK-ZDUSSCGKSA-N	303.293	1.589	50	20	DDGD	
CO[C@](C)(C=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C1CC1	1609307899	VRKSJWISOVSARV-OAHLLOKOSA-N	314.349	1.397	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNC(=O)c2ccccc2F)s1	1610822756	YBHNNMBEKCEBQS-UHFFFAOYSA-N	308.290	1.660	50	20	DDGD	
C=CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](Cl)COC	1802283890	MISCZCKWDLKICL-RNJOBUHISA-N	314.813	1.455	50	20	DDGD	
C[C@@H]1C(=NNC(=O)[C@@H]2CCCO[C@@H]2c2nccn2C)CCN1C	1549906194	ZLKVGMYQKHUQBW-BZPMIXESSA-N	319.409	1.084	50	20	DDGD	
COc1ccc(F)cc1C=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1	1549322381	YRMDRRMVEZHMAU-UKRRQHHQSA-N	321.352	1.148	50	20	DDGD	
CNC1CC(C(=O)NNC(=O)c2ccc(Cl)cc2OC)C1	1578594870	DKZHVVWYQMVLRY-UHFFFAOYSA-N	311.769	1.108	50	20	DDGD	
CC/C=C(\C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1	1841354114	IWNKQKMBXUJZOD-JVOXIWMLSA-N	314.813	1.146	50	20	DDGD	
C/C(=C/c1ccccn1)C(=O)NNc1cccc(-c2nn[nH]n2)c1	1588772070	JLMJPAFBUDBUCN-LUAWRHEFSA-N	321.344	1.808	50	20	DDGD	
Cc1ccc(C(=O)N2CCCC23CN(C(=O)[C@H](F)Cl)C3)o1	1841705417	HLCZHKLMVIXPPJ-NSHDSACASA-N	314.744	1.939	50	20	DDGD	
N[C@@H]1CCO[C@@H]([C@H]2CCCCN2S(=O)(=O)CCCCl)C1	1580197819	CKMSLZIRPKWVIG-JHJVBQTASA-N	324.874	1.306	50	20	DDGD	
O=C(C(Cl)Cl)N1CC2(CCCN2C(=O)c2cnoc2)C1	1843475251	PGGGBHGTFKVJCR-UHFFFAOYSA-N	318.160	1.295	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(C(=O)O)cc2)cc1O	1594347224	ZUXVNAZENGVKHK-UHFFFAOYSA-N	314.297	1.474	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)CN	1847867592	YLGLVPCXEJTRKE-VOAKCMCISA-N	315.845	1.191	50	20	DDGD	
CC1(C)OC[C@H]2C[C@]21C(=O)NNc1cccc(-c2nn[nH]n2)c1	1590116479	CDYRAIRVGRHHIJ-MEBBXXQBSA-N	314.349	1.125	50	20	DDGD	
CCCN1CCC[C@H]1CNC(=O)NNc1cccc(C(=O)O)c1	1595912011	DVPCNGCQQBLPRL-AWEZNQCLSA-N	320.393	1.885	50	20	DDGD	
CC(C)[C@@H](O)C(=O)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846386663	LLQZAEZVTGWSRL-SECBINFHSA-N	323.220	1.010	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@@H](C)O	1590368436	BTDXSTJZPBLYFY-VXNVDRBHSA-N	324.772	1.370	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C12CC(C(=O)O)(C1)C2)c1ccccc1	1594736795	OKCWATQAIXTONY-CDEQTRAXSA-N	316.357	1.583	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)c1	1594288443	QBRFROKTSXWMQO-JHJVBQTASA-N	318.329	1.022	50	20	DDGD	
O=C(NNc1ccccn1)C1(c2ccc(-c3nn[nH]n3)cc2)CC1	1593167281	VQTBHEBWKCINBL-UHFFFAOYSA-N	321.344	1.437	50	20	DDGD	
C[C@H](CC(=O)O)C(=O)NNc1ccnc(Br)c1	1592359411	FECCPLLLEIMWCW-ZCFIWIBFSA-N	302.128	1.398	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@]2(C(=O)O)CC2(C)C)cc1	1594373539	IHGXUQTWXHEFFT-MRXNPFEDSA-N	319.361	1.055	50	20	DDGD	
Cc1ccc(O)cc1C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1592186628	OCYPXXPCBJMPBP-UHFFFAOYSA-N	311.305	1.033	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)OCC(C)C)cc(-c2nn[nH]n2)n1C	1591817468	BQHMRPXTDQWHES-XGICHPGQSA-N	314.349	1.620	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)O	1596864352	SEASSCUHKKOOPV-ADVGAGMGSA-N	316.357	1.799	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCC(=O)N(C)C)cc1	5177627	QNNYYZSBCHACKG-UKTHLTGXSA-N	302.330	1.624	50	20	DDGD	
COCCOCC(=O)NN=C1CCCc2oc(C(=O)O)c(C)c21	1776097879	ICEKAMNAVRFZOH-UHFFFAOYSA-N	324.333	1.106	50	20	DDGD	
O=C(NN=Cc1sc(Cl)cc1C(=O)O)c1cnccn1	1776029262	ACWUFELAMJRMFG-UHFFFAOYSA-N	310.722	1.654	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=Cc1n[nH]c2cc(C(=O)O)ccc12	1776102023	FCIJNMJBRKEMFE-GXFFZTMASA-N	316.317	1.136	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)CNc1ccc(C)cc1C	161623922	DKYSHNBIRMGAFK-UHFFFAOYSA-N	315.377	1.393	50	20	DDGD	
CC(C)NC(=O)c1ccc(C(=O)NNc2ncc(F)cn2)cc1	162130277	XINJAPPCMSVJNI-UHFFFAOYSA-N	317.324	1.511	50	20	DDGD	
COC(=O)CSCCC(=O)NNc1ccc(F)cc1F	158131772	AYXVRFZRRUOQAE-UHFFFAOYSA-N	304.318	1.704	50	20	DDGD	
CN1CCO[C@@H](C(=O)NNc2ccc(Cl)cc2Cl)C1	151928543	OBCBDBHSXPVOLB-LLVKDONJSA-N	304.177	1.767	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccccc1OC(F)(F)F	155628089	PBXWKVGMRMIVPD-UHFFFAOYSA-N	320.271	1.300	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1cccc(C(F)(F)F)n1	155806278	WRYCZBBFXHEBJC-UHFFFAOYSA-N	320.271	1.680	50	20	DDGD	
CNC(=O)C[C@H](C)NS(=O)(=O)c1ccc(CCCl)cc1	322802885	QWVCGGLKVZSGRB-JTQLQIEISA-N	318.826	1.271	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CCC(=O)NNC(=O)CC(C)(C)C	103195915	VJZAOEPOHHIKEI-UHFFFAOYSA-N	311.342	1.073	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(C)n2C)c1	53164955	LPESEXFEFAXDJW-UHFFFAOYSA-N	315.373	1.790	50	20	DDGD	
Cc1cn(CC(=O)NNC(=O)N2CCOCC2)c2ccccc12	50628936	YLDGDOBNMQPUQK-UHFFFAOYSA-N	316.361	1.023	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)CNc1ccc(C)cc1C	175146716	ZGWRGLBFRWTWEK-UHFFFAOYSA-N	319.405	1.846	50	20	DDGD	
Cc1sc(S(=O)(=O)NNC(=O)C(C)(C)C)cc1[N+](=O)[O-]	119030049	SMOAMHVRVAVQEY-UHFFFAOYSA-N	321.380	1.320	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cnn(-c2ccccc2F)c1	58880336	PRKKOVWYYBFJGT-UHFFFAOYSA-N	305.313	1.364	50	20	DDGD	
CCn1c(C)nnc1S[C@@H](C)C(=O)NNC(=O)CC(C)C	110104125	AUWIZRSXHXDITL-VIFPVBQESA-N	313.427	1.281	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2cccc3cnccc23)cn1	178499609	VSUPTLZAFCHUOH-UHFFFAOYSA-N	307.313	1.486	50	20	DDGD	
O=C(CCC(=O)c1ccccc1)NNC(=O)NCc1ccco1	65177547	MIXVPOPJQNIQPE-UHFFFAOYSA-N	315.329	1.773	50	20	DDGD	
CC1=NN(c2ccc(C(=O)NNC(=O)NC3CC3)cc2)CC1	64900424	ARYSSCUIAGIFMZ-UHFFFAOYSA-N	301.350	1.379	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N(C)Cc1nccs1	177501937	VHUVIPGDQPRZDS-UHFFFAOYSA-N	320.374	1.638	50	20	DDGD	
O=C(NNC(=O)c1cccnc1SC(F)F)NC1CC1	68394758	IOUBMKMJZITARD-UHFFFAOYSA-N	302.306	1.503	50	20	DDGD	
O=C(C[C@H](O)c1cccc(F)c1)NNC(=O)c1ccncc1	179601138	VEPJZNCVJHECDW-ZDUSSCGKSA-N	303.293	1.105	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)CCC(F)(F)F	173158745	AURNRXSJUGEUJS-UHFFFAOYSA-N	304.268	1.815	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)on1	64230648	VCRCGGPAMLIMID-UHFFFAOYSA-N	319.277	1.035	50	20	DDGD	
O=C(NCc1cccnc1)NNC(=O)c1cc2ccccc2o1	175500104	LBOMOUQDROXBRB-UHFFFAOYSA-N	310.313	1.972	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)COC(C)C	68011079	UMYJLGZNONSUGX-UHFFFAOYSA-N	300.742	1.535	50	20	DDGD	
Cc1ocnc1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	129122937	CKVHRHJJCPZVTP-SECBINFHSA-N	307.281	1.351	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1C[C@@]12CCCc1ccccc12	186146718	XXOPVKDECBEJCE-CRAIPNDOSA-N	324.384	1.394	50	20	DDGD	
C[C@H](O)CN1CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CC1	189698253	MKWDFRKHLKMWLS-OJNRTJSBSA-N	317.364	1.258	50	20	DDGD	
C#Cc1cccc(NC(=O)C(=O)NNC(=O)CC2CCCC2)c1	125904268	DLCPQMCAZXXTMN-UHFFFAOYSA-N	313.357	1.334	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Cn1cccc(C(F)(F)F)c1=O	127261408	MKTSKHBDWCBWOC-UHFFFAOYSA-N	319.283	1.061	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1cc(-c2ccccc2)no1	186152967	RRACRFWMOOCWIE-UHFFFAOYSA-N	311.301	1.068	50	20	DDGD	
Cc1ccc(C)c(CC(=O)NNC(=O)Cn2nc(C)cc2C)c1	76195813	GUORJOMPSHWSEN-UHFFFAOYSA-N	314.389	1.507	50	20	DDGD	
Cn1nccc1NC(=O)NNC(=O)c1ccc(Cl)cc1F	125721372	MRKWXRGIMAOWTC-UHFFFAOYSA-N	311.704	1.679	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1ccccc1)c1ccc(Cl)nc1	72971623	CAAYWNVVXCWCQX-LBPRGKRZSA-N	305.721	1.230	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(NC(=O)c2ccco2)cc1	181955594	URUNGHCCQSBWET-UHFFFAOYSA-N	302.290	1.705	50	20	DDGD	
CSC[C@H](C)NC(=O)NNC(=O)c1c(C)nc2ccccn12	77335806	QGMZDUHMJHVQKQ-VIFPVBQESA-N	321.406	1.338	50	20	DDGD	
COc1ccc(C(=O)NNc2ncc(Cl)cc2Cl)nn1	132567730	QYAMQIOBROFCAH-UHFFFAOYSA-N	314.132	1.944	50	20	DDGD	
CCC[C@@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)C(C)C	134865606	QVJLESGXPHQFFY-LLVKDONJSA-N	306.366	1.240	50	20	DDGD	
CCn1cc(CC(=O)NNC(=O)NC(C)C)c2ccccc21	131941616	ZCCAYQTYUUTFGP-UHFFFAOYSA-N	302.378	1.943	50	20	DDGD	
CCO[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc(C)o2)C12CCC2	84441547	NOZIQIUGKBEQLV-STQMWFEESA-N	321.377	1.880	50	20	DDGD	
COc1ccc(C(F)(F)C(=O)NNC(=O)c2c[nH]nc2C)cc1	132321892	MWQGQLYSQZHCGU-UHFFFAOYSA-N	324.287	1.280	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCc2cccs2)cc1	45128469	HVJKOMHGEKVASA-UHFFFAOYSA-N	319.386	1.943	50	20	DDGD	
O=C(C[C@H]1COC(=O)C1)NNc1ccccc1OC(F)(F)F	190200378	CBKKDDMVGNIRGE-MRVPVSSYSA-N	318.251	1.982	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2COCCN2C2CCCC2)nc1	194063116	KREKJSHAIBHCGK-CQSZACIVSA-N	320.393	1.177	50	20	DDGD	
Cc1ccc(C)c(OCCC(=O)NNC(=O)[C@@H]2CCCO2)c1	42969093	OZAPFEOTVZKZIF-ZDUSSCGKSA-N	306.362	1.399	50	20	DDGD	
CC(C)Cc1ccc(/C=C/C(=O)NNC(=O)C(C)(C)O)cc1	192913396	SYACGKPWGKMUNV-MDZDMXLPSA-N	304.390	1.817	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CC(c3ccccc3)=NO2)o1	84373957	JOCQSIMXUOMPID-AWEZNQCLSA-N	313.313	1.542	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2cnn(-c3ccccc3)c2)o1	84292436	OUPSBZNQVJVJSX-UHFFFAOYSA-N	324.340	1.777	50	20	DDGD	
Cc1c([C@H](C)NC(=O)NNc2nc3ccccn3n2)cnn1C	191126793	IPZYUZAWMXXXCM-VIFPVBQESA-N	314.353	1.159	50	20	DDGD	
Cc1nc(S)sc1CC(=O)NNc1nc2ccccn2n1	191926817	MZLUSWSHGUDFFB-UHFFFAOYSA-N	320.403	1.469	50	20	DDGD	
Cc1nnc(NC(=O)NNC(=O)c2cccc(Cl)c2)s1	194264591	TZGZSMSPQGKEMH-UHFFFAOYSA-N	311.754	1.966	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1ccc2c(c1)OCCCO2	263887012	XONIZNDEWPZHQA-UHFFFAOYSA-N	321.377	1.724	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNC(=O)c1c[nH]c2ccccc12	264328884	ZLZVMYUUOJMXIN-UHFFFAOYSA-N	318.333	1.064	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)N[C@H]1CCN2CCCC[C@@H]12	266687342	DPUYYDPZJSXCLW-RYUDHWBXSA-N	309.801	1.988	50	20	DDGD	
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NNc1cncc(Cl)n1	268116783	DXEUCXLFKBTGNQ-SCZZXKLOSA-N	310.789	1.239	50	20	DDGD	
Cn1cc2c(n1)CCC[C@@H]2C(=O)NNc1ccc([N+](=O)[O-])cc1	366952410	LYQKPJGLFAUFDF-LBPRGKRZSA-N	315.333	1.892	50	20	DDGD	
CN1C[C@H](NC(=O)NNc2ccc(Cl)cc2Cl)CC1=O	267465025	AITFOEPNYRLVNA-MRVPVSSYSA-N	317.176	1.850	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)C2CCSCC2)cc1	264935551	ZXIHTCBMWUWIJV-UHFFFAOYSA-N	319.386	1.228	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NNC(=O)CC(C)C	266843729	PYPAIZBTDAHCHW-UHFFFAOYSA-N	300.790	1.546	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)[C@H]1C[C@@]12CCOC2	364097555	MJNQQKQFWVPAKL-BXUZGUMPSA-N	309.391	1.048	50	20	DDGD	
COC(C)(C)CC(=O)NNc1nnc(-c2ccccn2)s1	279191766	HAHSIGHSDXBKSY-UHFFFAOYSA-N	307.379	1.858	50	20	DDGD	
COCCOc1cccc(C(=O)NNc2ccc(OC)cn2)c1	275555991	MHPXEWRCIUNPGC-UHFFFAOYSA-N	317.345	1.872	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc(OC(C)C)cc1Cl	275606928	IHVAHJWOUAPMKG-UHFFFAOYSA-N	313.741	1.233	50	20	DDGD	
C[C@H](CO)CCCNC(=O)NNc1ncnc2ccsc12	270571666	VLIGLTBZSVYBSU-VIFPVBQESA-N	309.395	1.726	50	20	DDGD	
O=C(NNc1cccnn1)C1(c2ccc(F)cc2)CCOCC1	273201032	QNKSTDMABZFPHT-UHFFFAOYSA-N	316.336	1.807	50	20	DDGD	
COc1ccc2c(c1)[C@@H](C(=O)NNc1nccnc1OC)CC2	277570446	BDIFGEUMHBOTHJ-LBPRGKRZSA-N	314.345	1.667	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)N1CCc2c(F)cccc21	274298677	RTUYRJUBGVGQSD-UHFFFAOYSA-N	323.324	1.271	50	20	DDGD	
COC1(CC(=O)NNC(=O)CNc2ccc(C)cc2)CCC1	276750835	FPRBZCPRMSTONS-UHFFFAOYSA-N	305.378	1.514	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc(N(C)C)c1	278169006	DCGOJXXMYNNINY-HUUCEWRRSA-N	317.389	1.495	50	20	DDGD	
COc1ccc2c(c1)[C@@H](NC(=O)NNC(=O)C1CCC1)CCO2	274537580	ZMVXALACVJMWNC-ZDUSSCGKSA-N	319.361	1.649	50	20	DDGD	
CCN1CCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)CC1=O	273412689	IOVWKSHJKLQQQX-VGOFMYFVSA-N	300.318	1.623	50	20	DDGD	
CCCOc1c(Br)cc(C(=O)NN)cc1OC	270250351	UQPPCBLEVGXBKW-UHFFFAOYSA-N	303.156	1.850	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc2c(c1)N(C)CCO2	276054541	PMTVKKPVYGBTOJ-UHFFFAOYSA-N	307.354	1.213	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)C2Cc3ccccc3C2)c1	277483677	ULAARMUBIHBPPP-UHFFFAOYSA-N	323.396	1.929	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@@H](NC(=O)NNC(=O)c2ccccc2F)C1(C)C	271789534	GHMNCBCIUNTWJQ-OASPWFOLSA-N	323.368	1.829	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC2(CCNCC2)C1	378396197	CWSCPSYVAGMBLQ-UHFFFAOYSA-N	324.856	1.954	50	20	DDGD	
O=C(NNC(=O)C12CCCN1CCC2)c1cccc(Cl)c1	377667775	LVNJYNQXGHNHCY-UHFFFAOYSA-N	307.781	1.729	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H](C)C2=CCN(C)CC2)nc1	276016107	UQXWQWZINUQBDL-LLVKDONJSA-N	305.382	1.367	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H](C)n2nnnc2C(C)(C)C)cc1	273413785	IFNKUANFIWCZPO-NSHDSACASA-N	302.382	1.983	50	20	DDGD	
COC(=O)NNC(=O)[C@@H]1CCCCN1Cc1cccc(C)c1	372819329	JRUYJFAMUPLOBJ-AWEZNQCLSA-N	305.378	1.737	50	20	DDGD	
O=S(=O)(CBr)N[C@H]1CCCC12CCOCC2	374449922	QMKMRQDQILDBSA-VIFPVBQESA-N	312.229	1.608	50	20	DDGD	
CSSCCNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O	283940192	FQJKVEODCWQUAF-UHFFFAOYSA-N	310.400	1.653	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cccc(C(C)=O)c1	288091040	VZJGOSFIBZLMCK-UHFFFAOYSA-N	322.361	1.439	50	20	DDGD	
CSSCCNC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1C	284224387	VLJMCRFCRGAOBA-JQWIXIFHSA-N	315.464	1.934	50	20	DDGD	
C#Cc1cccc(NC(=O)NNC(=O)C(C)(OCC)OCC)c1	284067428	QQPMIHSOUKUOBI-UHFFFAOYSA-N	319.361	1.610	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NNc2ccncn2)C1	295617927	ZIRYTKYUUAWTAA-RYUDHWBXSA-N	305.382	1.204	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc(-n2ccnc2)cc1	295611851	QSVIUWVUFFAFSE-AWEZNQCLSA-N	314.345	1.202	50	20	DDGD	
C[C@](O)(CCc1ccccc1)C(=O)NNc1ncncc1Cl	801217244	MAGRPVCYAJGKRZ-HNNXBMFYSA-N	320.780	1.957	50	20	DDGD	
CC[C@H](OC)C(=O)NNC(=O)c1cc(-c2ccc(C)cc2)n[nH]1	299363389	ZJPZSFMXXUVCJV-AWEZNQCLSA-N	316.361	1.571	50	20	DDGD	
CCCCC[C@@H](C(=O)NNC(=O)N1CCN(C)CC1)C(C)C	807380395	HNUXSBORHWMAEP-CQSZACIVSA-N	312.458	1.827	50	20	DDGD	
COc1cc(C=NNC(N)=O)cc(OC)c1OCC(F)F	807943717	PVTFDWGUGMHKAN-UHFFFAOYSA-N	303.265	1.350	50	20	DDGD	
CC[C@@H](C)CONC(=O)NNC(=O)COc1cc(C)ccc1C	291949892	VJKNCTPTYCAMKJ-LLVKDONJSA-N	323.393	1.990	50	20	DDGD	
C[C@H](OCc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CCCCO1	295679254	XWHQIOOAOVDUTB-SMDDNHRTSA-N	324.352	1.447	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@]2(C#N)CC23CCCC3)n1	295481457	ZTPZOVFHIZVYLN-HNNXBMFYSA-N	301.350	1.711	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1cccc2c1CNC2=O	806754224	MAVNIJZJGMWGSS-UHFFFAOYSA-N	316.239	1.035	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNC(=O)Nc1cc(F)cc(F)c1	802004233	KMZXXDVQFAHVMP-UHFFFAOYSA-N	323.303	1.727	50	20	DDGD	
O=C(CCC(=O)c1ccc(F)cc1F)NNC(=O)CC1CC1	294234296	RRKJRGBJGGMLNJ-UHFFFAOYSA-N	310.300	1.875	50	20	DDGD	
Cc1[nH]c2ccccc2c1C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	294002245	VGKGWBUUVQSETH-ZANVPECISA-N	301.346	1.805	50	20	DDGD	
Cc1cccc(CCCNC(=O)NNc2ncncc2F)n1	293315703	JJYQKGSQTIINBO-UHFFFAOYSA-N	304.329	1.578	50	20	DDGD	
CCc1nc2ccc(Cl)cn2c1C(=O)NN(C)C(=O)OC	291559456	WPJAMLQGXCNDQD-UHFFFAOYSA-N	310.741	1.893	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1ccccc1OCC1CC1	299570768	BSJDNGWDBSCWGA-UHFFFAOYSA-N	319.361	1.162	50	20	DDGD	
CSC[C@H](C)NC(=O)NNc1ccc(-n2ccnc2)nn1	805135171	OWJHUXBHGLTWOS-VIFPVBQESA-N	307.383	1.040	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)Nc2cc(C)on2)cc1	804030023	BSKJLACYNWQQPK-UHFFFAOYSA-N	320.305	1.223	50	20	DDGD	
COc1nccnc1NNC(=O)Cc1cccc(Cl)c1F	811073535	BJTPUWOEOUENEJ-UHFFFAOYSA-N	310.716	1.964	50	20	DDGD	
O=C(CCc1ncccn1)NNc1nc(-c2ccccc2)no1	812497249	TWXAXJWBMQCXDH-UHFFFAOYSA-N	310.317	1.603	50	20	DDGD	
CC(=O)Nc1cccc(NC(=O)NNc2ncncc2F)c1	813841724	MCLPIUTWNHPMBP-UHFFFAOYSA-N	304.285	1.723	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCc1ccc(C(=O)O)cc1	817814938	JAROMFCZMTTYMD-UHFFFAOYSA-N	309.322	1.624	50	20	DDGD	
Cn1cc(C=NNC(=O)c2ccc(O)c(O)c2)c(C(F)F)n1	812229512	CDPOIKIATVZQGV-UHFFFAOYSA-N	310.260	1.533	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@H](O)c1ccc(Cl)cc1F	813424840	XYDGKRCMWABJDA-LLVKDONJSA-N	315.732	1.253	50	20	DDGD	
O=C(NCCCC1(O)CCC1)NNc1ncc(F)cc1F	817791759	JSZZYIMLGWASLG-UHFFFAOYSA-N	300.309	1.681	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1ccn2ccnc2c1	810228263	DSLANHQFTGXRSH-UHFFFAOYSA-N	310.317	1.125	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(F)ccc1Cl	814511178	LUAWSPCISUHVPX-ZETCQYMHSA-N	316.716	1.582	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1F)c1csc(N)n1	812390385	DZFKQPFHIGTQJE-UHFFFAOYSA-N	308.338	1.784	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)COc1ccc(C(N)=O)cc1	819842897	DTFYLOARVVZXCT-UHFFFAOYSA-N	305.161	1.426	50	20	DDGD	
O=C(NNC(=O)[C@@H](F)C(F)(F)F)c1cccc2cccnc12	810270258	RSNSCHPCAJHRHG-SNVBAGLBSA-N	315.226	1.896	50	20	DDGD	
CN(C)c1ncc(Br)cc1C(=O)NN(C)C1CC1	819647815	SZSNDSDEAADSDU-UHFFFAOYSA-N	313.199	1.649	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)Cn2ccc(C)n2)cc1	822209924	FDLUQVLRXCKNAI-UHFFFAOYSA-N	318.402	1.440	50	20	DDGD	
Cc1nn(C)c2nc(C3CC3)cc(C(=O)NN(C)[C@@H](C)CO)c12	823977394	VTCFRHRVFKARQW-VIFPVBQESA-N	317.393	1.112	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1ncccc1O	725879802	NOEMXHKTGNTOJW-UHFFFAOYSA-N	321.720	1.524	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)no1	822188160	BAXPNPQYPVDDHS-UHFFFAOYSA-N	317.301	1.431	50	20	DDGD	
O=C(Cc1ccc(-c2nn[nH]n2)cc1)NNc1ccnc(F)c1	826422203	QETMKGMTIMHEQE-UHFFFAOYSA-N	313.296	1.087	50	20	DDGD	
Cc1cc(C(=O)NN(C)[C@@H](C)CO)cc(C(=O)OC(C)(C)C)c1	823917787	NOEJQHHYUIYUOG-LBPRGKRZSA-N	322.405	1.908	50	20	DDGD	
CCN(Cc1ccc(C)cc1)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	827308154	YSSUEROQSCELAV-DZGCQCFKSA-N	319.405	1.983	50	20	DDGD	
COc1ncc(/C=C\C(=O)NNC(=O)Nc2ccccc2)cn1	493149328	JZSAFQDKRARRNV-FPLPWBNLSA-N	313.317	1.351	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H](C)Cc1cccc(O)c1	825885453	MXUOMPNILXPTSS-SUNKGSAMSA-N	321.377	1.079	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1=CCCC1	826445136	IGKBSCLZQIZUDI-UHFFFAOYSA-N	305.729	1.469	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNc1ncc(F)cc1F)C(C)C	823479288	FFFDQHKAUFWCOD-JTQLQIEISA-N	301.293	1.638	50	20	DDGD	
C=C(CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccccc1	827072835	WXEAAUHCYGCFCV-GXTWGEPZSA-N	303.362	1.455	50	20	DDGD	
Cc1ccc(S(N)(=O)=O)cc1C(=O)NN(C)c1ccccc1	726546253	HTTJGKZFMFHIIM-UHFFFAOYSA-N	319.386	1.424	50	20	DDGD	
CC(C)Cc1ncc(C(=O)NNC(=O)c2ccnnc2)s1	823148773	UATOQRFRPWJWOX-UHFFFAOYSA-N	305.363	1.206	50	20	DDGD	
CC(C)(C)OC(=O)[C@@]1(C(=O)NNC(=O)NC2CC2)CC1(C)C	823763197	QKVOAHUZUZNCTI-HNNXBMFYSA-N	311.382	1.237	50	20	DDGD	
Cc1cc(C(=O)NN(C)[C@H](C)CO)cc(C(=O)OC(C)(C)C)c1	823917786	NOEJQHHYUIYUOG-GFCCVEGCSA-N	322.405	1.908	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNc1nccnc1Cl	496768450	RVZQLRIIJCJFDN-YUMQZZPRSA-N	315.761	1.344	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCC[C@H](c2ccccc2)C1	584993667	YZKUVJNOBORJDF-INIZCTEOSA-N	309.174	1.386	50	20	DDGD	
COc1ccc(Br)c(NNC(=O)[C@H]2C[C@@H](O)C2)c1	823655605	BWNBHHCXZZYCIM-OCAPTIKFSA-N	315.167	1.672	50	20	DDGD	
CNC(=O)COc1ccc(NC(=O)NN(C)C2CC2)c(C)c1	824320068	GSYSYQZZMJWGBQ-UHFFFAOYSA-N	306.366	1.251	50	20	DDGD	
CN(C)CCCCC(=O)NNC(=O)c1cccc(N(C)C)c1	729509404	MOUVCTCGCMRKPT-UHFFFAOYSA-N	306.410	1.246	50	20	DDGD	
CO[C@]1(C)C[C@@H](N(C)C(=O)/C(C#N)=C\c2cnn(C)c2)C1(C)C	490974378	NBSRKEPCJJASRA-IXYHKTETSA-N	316.405	1.989	50	20	DDGD	
CN(C)CCN(C)CCCNC(=O)[C@]1(C)C[C@@H]1Br	908240481	WBDWBSQSULIQLB-WCQYABFASA-N	320.275	1.160	50	20	DDGD	
CCCCC[C@H](O)C(=O)NNC(=O)COc1cc(C)cc(C)c1	822194827	VSIITCFVVWXGGH-HNNXBMFYSA-N	322.405	1.771	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H]1CCCc2cn(CCOC)nc21	490841715	JNKILMLYLOBUIS-FZDNWWAKSA-N	318.377	1.467	50	20	DDGD	
Cc1cc(/C=C(/C#N)C(=O)NN(C)C(N)=O)c(C)n1CC(C)C	490813938	SHIKRCNUHQZDCL-AUWJEWJLSA-N	317.393	1.710	50	20	DDGD	
C[C@@H](C[C@H](O)c1ccc(F)cc1)NCc1ccc(B(O)O)cc1	585035202	QRPGWTWCEFJFQZ-SJCJKPOMSA-N	317.169	1.107	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCSC(C)(C)CC1	827273921	KHKQWHMCKGNJEM-MNOVXSKESA-N	315.439	1.370	50	20	DDGD	
C[C@@H](COc1ccccc1F)NCc1ccc(B(O)O)cc1F	585019464	NEANENBTVHHSMB-NSHDSACASA-N	321.132	1.202	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC=C(c2ccc(O)cc2)CC1	731848188	BFFPLWPNOCKYBC-GFCCVEGCSA-N	317.389	1.427	50	20	DDGD	
COCCN(C)NC(=O)Cc1ccc(OC)c(OC)c1Cl	837627235	UBXKXRKRYPPVBT-UHFFFAOYSA-N	316.785	1.509	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNc1cccc(C(=O)OC)c1F	837060608	OLWQTNOTMSPIDK-MRVPVSSYSA-N	312.297	1.255	50	20	DDGD	
CC(C)(C)C#CC(=O)OCC(=O)NNC(=O)c1ccccc1	838375465	VECDHUDCIAPKGN-UHFFFAOYSA-N	302.330	1.040	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1	734222530	JYCCFPOKYLQYIE-NEPJUHHUSA-N	312.414	1.010	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc(C(=O)O)c1)[C@H]1CCCOC1	833520468	CQPNKKJAHBEDTI-PWSUYJOCSA-N	307.350	1.826	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)NCC(C)(C)C(C)(C)C	838602013	OQZNBRKLZXHRCV-NSHDSACASA-N	317.430	1.441	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2cccc(F)c2)[C@H]2CCCC[C@H]2N1	830771761	RAQUCMMSDDXLMN-HZSPNIEDSA-N	305.353	1.964	50	20	DDGD	
CO[C@@H](c1ccc(F)cc1)[C@@H](C)NCc1cccc(B(O)O)c1	585035744	XLLMBAWNGFTVMJ-SJKOYZFVSA-N	317.169	1.371	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc(C)cc1)C[C@@H]1CCOC1	734151425	HUWQEMKZWVZEFP-AWEZNQCLSA-N	319.405	1.114	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nn2ccnn2)c1C	908840005	XHTJZIWLPBNTJU-ZROIWOOFSA-N	314.349	1.020	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H](C)C2CCC2)c1	838389043	LRLOEJPVOGBQRT-GFCCVEGCSA-N	318.373	1.735	50	20	DDGD	
CC(C)Oc1ccc(Cl)cc1C(=O)N1CC[C@@H](B(O)O)C1	585073388	XSFFANIWZPQFFV-SNVBAGLBSA-N	311.574	1.816	50	20	DDGD	
O=C(COCc1nc2ccccc2s1)NNc1cnccn1	734245158	MLMCNCGCGBFASG-UHFFFAOYSA-N	315.358	1.746	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](CO)[C@@H](C)O)c1C	839800474	JBGUCKVXKDNAPU-WJYHIDLVSA-N	319.405	1.280	50	20	DDGD	
COc1cc(NCc2ccc(B(O)O)cc2)ccc1OC(C)C	585036019	CBDWLGHVRUAVHN-UHFFFAOYSA-N	315.178	1.774	50	20	DDGD	
CC1(C)CCC[C@@H](NC(=O)NNC(=O)N=c2cc[nH]cc2)C1	836416483	AIEQJBCAKCLJDS-GFCCVEGCSA-N	305.382	1.808	50	20	DDGD	
CN1CCCC[C@@H]1C(=O)NNC(=O)c1c[nH]c2ccccc12	731865839	TYRCCKVIUOTXQG-CQSZACIVSA-N	300.362	1.413	50	20	DDGD	
C[C@@H](CCc1cccc(F)c1)NCc1ccccc1B(O)O	585023318	JRZDUGZKHAUZBO-ZDUSSCGKSA-N	301.170	1.616	50	20	DDGD	
CN(CCNC(=O)NNc1cccc(C(=O)O)c1)C1CCCC1	833693702	MVPWDZIGOBSTQQ-UHFFFAOYSA-N	320.393	1.885	50	20	DDGD	
O=C(NN=Cc1ccc(OC(F)(F)C(=O)O)cc1)C1CCC1	731936296	QDXZFGOBHTVNTO-UHFFFAOYSA-N	312.272	1.993	50	20	DDGD	
COCCN(C)CCNC(=O)NNc1ccc(Cl)c(C)c1	916330129	FLVIVUPFEHJPEN-UHFFFAOYSA-N	314.817	1.853	50	20	DDGD	
CCN(CC)CCC(=O)NNC(=S)N[C@H](C)c1ccccc1	915996981	PFAGOTWRBFVJCX-CYBMUJFWSA-N	322.478	1.975	50	20	DDGD	
CCOC1(C(=O)NNc2cccc(F)c2F)CCOCC1	830831256	KAMCUVSYGRCBLE-UHFFFAOYSA-N	300.305	1.994	50	20	DDGD	
CCC(C)(C)OCCNC(=O)NNC(=O)c1cccc(C)n1	836437160	LSANKAMOFUIKAC-UHFFFAOYSA-N	308.382	1.539	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=S)NCC(C)C)cc1	917047399	IIFQYGHDKYTCLT-UHFFFAOYSA-N	308.407	1.085	50	20	DDGD	
CNC(=S)NNC(=O)Nc1cc(OC)c(Cl)cc1OC	741854205	FINCNVKIXFSOKC-UHFFFAOYSA-N	318.786	1.488	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC[C@H](Cc2ccccc2)C1	744405644	UZZRLYBKARRIFS-OAHLLOKOSA-N	317.433	1.745	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@H](c1c(F)cccc1Cl)N(C)C	746184016	DGGPMFPEEJJMEV-NSHDSACASA-N	316.764	1.384	50	20	DDGD	
CCN1C[C@@H](CNC(=O)[C@H](Br)C(C)(C)C)CC1=O	846466442	SJXMEZJMOVLAOZ-KOLCDFICSA-N	319.243	1.781	50	20	DDGD	
O=C(NNc1ccccc1)Nc1cnc(N2CCNCC2)nc1	841326135	SNMGTEAPGWDWBT-UHFFFAOYSA-N	313.365	1.035	50	20	DDGD	
CC(C)(C)[C@H](N)C(=O)NNc1ncc(Br)cn1	848436630	YVXMVEOERVZYDR-SSDOTTSWSA-N	302.176	1.056	50	20	DDGD	
COC(=O)CC(=O)NNc1cc(OC)ccc1Br	910549856	DDJGSGUKGKSLGE-UHFFFAOYSA-N	317.139	1.464	50	20	DDGD	
COc1ccc(-n2c(C)cc(C=NNC(=O)C(N)=O)c2C)cc1	916272224	FPQVFUXVVTWJKN-UHFFFAOYSA-N	314.345	1.038	50	20	DDGD	
CC[C@H](N)CNC(=O)NNc1ccc(Br)c(F)c1	842002968	HKJQUAQABQOVMH-ZETCQYMHSA-N	319.178	1.952	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1cccc([N+](=O)[O-])c1	916359008	DPRUOOLZCQPQGU-UHFFFAOYSA-N	304.306	1.057	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NC[C@H]1CCC[C@H]1C1CC1	840394360	FWQSCGGYGBISLN-CABCVRRESA-N	316.405	1.781	50	20	DDGD	
CN(C)C(=O)c1ccccc1C=NNC(=O)CC(F)(F)F	841620060	SYROVYBWPHLKRN-UHFFFAOYSA-N	301.268	1.791	50	20	DDGD	
CCc1ccccc1OCCC(=O)NNC(=O)[C@H]1CCO[C@H]1C	843652284	AOCMZIMTHGBUFF-JSGCOSHPSA-N	320.389	1.590	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(-c2ccccc2Cl)on1	910171623	ZNKXHRDWBZIJNV-VIFPVBQESA-N	309.753	1.952	50	20	DDGD	
CC1(OCC(=O)NNc2nc(-c3cccnc3)no2)CCC1	746173882	POGNHAYKYGVCGL-UHFFFAOYSA-N	303.322	1.534	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	910148298	SEYDVUVBASRZLL-LURJTMIESA-N	322.148	1.859	50	20	DDGD	
O=C(NN=Cc1ccc[nH]1)c1csc(N2CCOCC2)n1	916338218	KHNLTBWOFXMLOO-UHFFFAOYSA-N	305.363	1.072	50	20	DDGD	
CCCC(=NNC(=O)C(=O)NC1CC1)c1cccc([N+](=O)[O-])c1	744828085	UOPQMQYCILUODE-UHFFFAOYSA-N	318.333	1.494	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1nccn2ccnc12	743330173	FRZQDWZKMGIGBI-UHFFFAOYSA-N	309.329	1.123	50	20	DDGD	
O=C(Cc1coc2cc(F)ccc12)NNC(=O)c1ccc[nH]1	748286909	CPTDPXQSJRHHGV-UHFFFAOYSA-N	301.277	1.904	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cc([N+](=O)[O-])cnc1O	849507608	DLJUOYVUWLSUQG-UHFFFAOYSA-N	319.233	1.361	50	20	DDGD	
CN(CC(=O)NNc1ncccc1C(F)(F)F)C(=O)C1CC1	740096001	QRTBSQLBGNJBKP-UHFFFAOYSA-N	316.283	1.412	50	20	DDGD	
NC1(CNC(=O)NNc2nc3ccccn3n2)CCCCC1	841924494	UUZYEIBVXSMVBC-UHFFFAOYSA-N	303.370	1.017	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)C[C@@H](C)n1ccnc1	844383569	HZPCHFMWRIVVEY-LLVKDONJSA-N	302.334	1.304	50	20	DDGD	
O=C(NNc1ncccn1)c1cc(N2CCOC2=O)ccc1F	741670195	VJHJGDWQYPAFST-UHFFFAOYSA-N	317.280	1.329	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)N[C@@H](c1ccccn1)C1CC1	925558684	VFPHORMHRJBKQZ-CQSZACIVSA-N	323.360	1.902	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=c1c(=O)c2cccc3cccc1c32	842554836	MKQLMRPNMJSFGI-ZYHUDNBSSA-N	308.337	1.586	50	20	DDGD	
COc1ccc(CCC(C)=NNC(=O)C(=O)NC2CC2)cc1O	754917794	MREFGQBAJDJDGW-UHFFFAOYSA-N	319.361	1.104	50	20	DDGD	
COCC(=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1)C1CC1	754259718	RFEYUNOMHOJAAI-JHJVBQTASA-N	311.426	1.260	50	20	DDGD	
CCn1cnc2c1CCN(C(=O)NCCSSC)C2	922390537	SPTHGTDTLNSBLQ-UHFFFAOYSA-N	300.453	1.982	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NNc2nc3ccccn3n2)C1	857863858	DNSSZVZKOFGLAA-ONGXEEELSA-N	311.349	1.262	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CC[C@H]1CC1(Cl)Cl	854287480	CMICHVLVVCAJDB-QMMMGPOBSA-N	304.177	1.760	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12	929790784	MUMWWSNPXQFYDG-ZBEGNZNMSA-N	301.346	1.090	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1cccc(C(=O)OC)c1C	855627468	PBUBRBVEDYGSIR-HNNXBMFYSA-N	315.373	1.322	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1cccc(OCC#N)c1	755931175	ACLIGUZMJCNINI-UHFFFAOYSA-N	313.317	1.394	50	20	DDGD	
CCC[C@@H](C(=O)NNc1c(C)cccc1Cl)S(N)(=O)=O	854843273	MCQXYSYMTHHJFN-JTQLQIEISA-N	319.814	1.549	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@]1(c2ccccc2)CCCO1	929434977	KFAQRGLPAQVDNJ-QGZVFWFLSA-N	313.357	1.492	50	20	DDGD	
CNC[C@H](C)NC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	851682616	XTJQPLQLXFOWJJ-UWVGGRQHSA-N	324.450	1.425	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCC2CC=CC2)c1	858718217	MJMKUFPLKOZMBR-UHFFFAOYSA-N	302.378	1.663	50	20	DDGD	
CNC(=O)CC1(CNC(=O)NNc2ccncn2)CCCCC1	852649970	FARRLTACTKOIHS-UHFFFAOYSA-N	320.397	1.189	50	20	DDGD	
Cc1ccnc(NNC(=O)c2cn(Cc3ccccn3)nn2)c1	755838629	RZLADRNESIBDMX-UHFFFAOYSA-N	309.333	1.182	50	20	DDGD	
Cc1c(C(=O)NNC(=S)N[C@@H](C)C2CC2)cnn1C(C)(C)C	855103290	UCGZCVCRWIIQIB-VIFPVBQESA-N	323.466	1.854	50	20	DDGD	
COC[C@H](CNC(=O)NNc1cc(Cl)ccc1C)OC	921875513	JWGBVECCKQMNIV-NSHDSACASA-N	301.774	1.936	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@@H](CCO)C2)C[C@H]1Br	856952387	BTKSNNBVYHSCCO-DMDPSCGWSA-N	319.243	1.964	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H]2CCOC(C)(C)C2)c1	858318803	SFMIKYBFRYFJSN-JTQLQIEISA-N	311.407	1.958	50	20	DDGD	
CCC(Cc1ccc(C(F)(F)F)cc1)=NNC(=O)C(N)=O	853260109	FHZBYTHSQRWAEO-UHFFFAOYSA-N	301.268	1.615	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)N2CCC3(CCCCC3)CC2)N1	858697439	PSSSCMHSGNMLSY-LBPRGKRZSA-N	322.409	1.052	50	20	DDGD	
Cc1c(S(=O)(=O)NC[C@]2(C)C[C@H]2Br)cnn1C	856753861	YYRCRQBLJJHLHT-ZJUUUORDSA-N	322.228	1.180	50	20	DDGD	
Cc1nc(C=NNC(=O)[C@H](C)CN2CCCCCC2)[nH]c1C	853281243	QKCRILTUVAYULR-GFCCVEGCSA-N	305.426	1.989	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H](C)C[C@H]2CCOC2)n1	759765775	CYIZRTIKOPFKQT-GXSJLCMTSA-N	309.370	1.235	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(OC2CCOCC2)cc1	854924713	OTTSEGSDGIRBIU-UHFFFAOYSA-N	323.418	1.325	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)o1	754028864	AULWUDIHCRFIMV-UHFFFAOYSA-N	324.340	1.777	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@]1(C)C[C@@H]1Br	857385187	FISYJKDQMLYRLH-SUZMYJTESA-N	314.227	1.888	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2CC[C@H]2C(N)=O)c1C	854186547	NIPZPFGNGWTVCE-MNOVXSKESA-N	320.418	1.133	50	20	DDGD	
COCC[C@H](C)S(=O)(=O)NC[C@@]1(C)C[C@H]1Br	856754820	NVAHKQNASUQSFO-IVZWLZJFSA-N	314.245	1.504	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)c1cnc2n1CCCC2	750793349	AIOWYERVUHPJHG-UHFFFAOYSA-N	307.357	1.946	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)NOC[C@@H]1CCOC1	854016823	SOTUSSGZZROMCS-MRVPVSSYSA-N	314.273	1.328	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1	854919704	BLYDYYPMNJHTLJ-UHFFFAOYSA-N	310.379	1.799	50	20	DDGD	
Cc1cc(=NNC(=O)c2cnc3c(cnn3CC(C)C)c2)cc[nH]1	862510559	KVDCSCKJYOJIGE-UHFFFAOYSA-N	324.388	1.970	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1c(C)nc2sc(C)nn12	765570003	OKAQYDMCZJRZBI-UHFFFAOYSA-N	322.438	1.590	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@H]1CCCc2nn[nH]c21	863098775	DGIOBRSYEYCYLN-YFKPBYRVSA-N	313.230	1.043	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCCNc1ncccn1	866600572	OWXDWBFUMFIBLO-UHFFFAOYSA-N	306.819	1.073	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cncc(Cl)n1	863942166	NDWOHXNYFMGQRE-UHFFFAOYSA-N	304.606	1.562	50	20	DDGD	
Cc1cc(=NNC(=O)Nc2cn(C)nc2C(F)(F)F)cc[nH]1	860929413	SVHRPCOTZJVROF-UHFFFAOYSA-N	314.271	1.713	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCC(C)CC1)c1ccnn1C	766002687	PQFXJDVYMVCERO-ZDUSSCGKSA-N	305.426	1.628	50	20	DDGD	
Cc1nc(C)c(NC(=O)C(=O)NNC(=O)C2CCCC2)s1	764069378	BKLOBJPAGNRHFW-UHFFFAOYSA-N	310.379	1.036	50	20	DDGD	
COc1ccc(OCC(=O)NN[C@@H](C)C(F)(F)F)cc1C	862315321	UGMBUIGVQZDLAS-VIFPVBQESA-N	306.284	1.954	50	20	DDGD	
Cc1cccc(NNC(=O)CCNC(=O)OCC(F)(F)F)n1	862523869	PNTHAURKHAHQOX-UHFFFAOYSA-N	320.271	1.512	50	20	DDGD	
CCCCc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1	862449863	LAQOHWYTEZEIPO-ZDUSSCGKSA-N	303.362	1.069	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1ccnc(F)c1F	1116869652	GCGAEGVFVBZSGV-UHFFFAOYSA-N	321.287	1.037	50	20	DDGD	
O=C(NN=C1C[C@H]2CCCc3cccc1c32)C(=O)N1CCCC1	763364466	XYWDIYYOOYBFJL-CYBMUJFWSA-N	311.385	1.953	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](C)Oc1ccc(F)cc1	764459927	GAMMHTMOXQUXBQ-SECBINFHSA-N	306.297	1.535	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNC(=S)Nc1ccccc1OC	873769458	OJXYCXGYSVFHDF-CQSZACIVSA-N	311.407	1.564	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccccc1Cn1cccn1	875034748	OIGSDTALBNQYQD-UHFFFAOYSA-N	317.349	1.344	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2cc(C)n(C)n2)cc1C	873765503	UCZTXKBNTIASQI-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)/C=C\c1ccccc1F	771941472	SIUSHUUKBOZLOH-QROTZFDESA-N	308.309	1.328	50	20	DDGD	
O=C(NN=Cc1cn(C[C@@H]2CCCO2)nn1)OCC(F)(F)F	872391504	ZZTGVLGYCXNTMH-VIFPVBQESA-N	321.259	1.080	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)C(=O)Nc2cc(C)nc(C)n2)c1	873817368	UJLRWOJWVWDQCI-UHFFFAOYSA-N	313.361	1.792	50	20	DDGD	
COc1ccccc1OCC(=O)NN=CC1CCN(C)CC1	872329396	POBAONXTZFWIJA-UHFFFAOYSA-N	305.378	1.518	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc2c(c1)C(=O)NCC2	770032497	OPGLYEXGVRBVOR-UHFFFAOYSA-N	304.350	1.171	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNc1ccnc(Br)c1	771533671	UGVPOLAZBLIQNG-MRVPVSSYSA-N	320.212	1.401	50	20	DDGD	
CCCN(C)CC(=O)NNC(=S)Nc1ccc(C)c(C)c1	873764230	YUJQSEGZFJQOPH-UHFFFAOYSA-N	308.451	1.963	50	20	DDGD	
O=C(CC1CCN(CC(F)(F)F)CC1)NNC(=O)NC1CC1	874194305	XAAZUSXBUXGBKU-UHFFFAOYSA-N	322.331	1.144	50	20	DDGD	
CC(C)(CN1CCOCC1)C(=O)NNc1ccc(F)c(F)c1	885116098	ROGVTMJARJAHTB-UHFFFAOYSA-N	313.348	1.766	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1	779763694	SLUMZKMCKDIJQQ-LBPRGKRZSA-N	321.333	1.892	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc2c(c1)OC(F)(F)O2	887149435	WLARUJGTXVQDIK-UHFFFAOYSA-N	310.256	1.573	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2[C@@H](C)C2(F)F)cc1C	1123474654	AVCGOYUQPSQPPK-MFKMUULPSA-N	312.316	1.731	50	20	DDGD	
CO[C@@H](C(=O)NNc1ccc(Br)nc1)C(C)C	771736212	YZZHDNDKWHWUPR-SNVBAGLBSA-N	302.172	1.958	50	20	DDGD	
O=C(CNC(=O)c1cccc(O)c1)NNc1ccc(F)cc1F	779012040	XUMSHWSCDYHNFE-UHFFFAOYSA-N	321.283	1.544	50	20	DDGD	
CCC(CC)(CC)C(=O)NNc1nc(O)c2cnn(C)c2n1	770971911	CAVMVQNMKVETMM-UHFFFAOYSA-N	306.370	1.728	50	20	DDGD	
CC(C)(C)n1nnc(CC(=O)NNc2ccc(F)c(F)c2)n1	885114977	ACQMGBBEOQLNCF-UHFFFAOYSA-N	310.308	1.392	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2cccc3c2ccn3C)nn1	783954151	WVKCACDUYNCNHF-UHFFFAOYSA-N	324.344	1.359	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1c1ccccc1)c1ccccn1	786588748	WIXXGDJFIGWXBM-OAHLLOKOSA-N	310.357	1.512	50	20	DDGD	
CN(Cc1ccc([S@@](C)=O)cc1)S(=O)(=O)CCCCl	881969901	SOKPMGBWAXRNMB-GOSISDBHSA-N	323.867	1.815	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCCN1c1ccccc1	787335974	XCMXLAHRDLVXRX-AWEZNQCLSA-N	313.361	1.148	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CSc2nncs2)c1	780791560	MKJLGNJOPFXWQQ-UHFFFAOYSA-N	324.387	1.560	50	20	DDGD	
CN(C)[C@@]1(CNS(=O)(=O)CCCCCl)CCSC1	780807611	QXJCNGAQPBLDMN-LLVKDONJSA-N	314.904	1.362	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(Cl)c1)[C@@H](C)S(C)(=O)=O	788273873	IFPMATADDQCGST-RKDXNWHRSA-N	304.799	1.852	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)CNC(=O)CCC(C)C	788184376	KNLYUAXHKKOZNP-UHFFFAOYSA-N	311.357	1.830	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCc2cscn2)c1	780841524	HKYSGGBSOLXWHD-UHFFFAOYSA-N	320.374	1.799	50	20	DDGD	
CC(C)(C#N)CNC(=O)NNC(=O)CCCc1ccccc1	781954375	SIQLUZNHEQDFCC-UHFFFAOYSA-N	302.378	1.889	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cnn2c1N[C@@H](C)C[C@H]2C(F)F	1123777418	ACYMWMYAADHIMB-XPUUQOCRSA-N	317.296	1.236	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)CC1CCCCC1	788228579	NGOKZSRSSQETOL-UHFFFAOYSA-N	311.407	1.748	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2ccccc2C(N)=O)n1	788709706	VNSUZNKPNGQXPD-UHFFFAOYSA-N	302.359	1.243	50	20	DDGD	
Cc1cc(=NNC(=O)NCC(C)(C)C2CCOCC2)cc[nH]1	897026830	OXNBBKXRYNCWFE-UHFFFAOYSA-N	306.410	1.891	50	20	DDGD	
COC(=O)c1ncoc1CCC(=O)NNc1ccccc1C	895582163	JEFMTFXVFVAFGM-UHFFFAOYSA-N	303.318	1.846	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)[C@H]1CCOC2(CCC2)C1	895537849	VJQWMMFCRKXQKK-ZDUSSCGKSA-N	317.389	1.595	50	20	DDGD	
CN(NC(=O)C(=O)Nc1ccc(Cl)nc1)c1ccccc1	783432572	AMGANIMSDSRTSH-UHFFFAOYSA-N	304.737	1.841	50	20	DDGD	
O=C(NCC1CC1)NN=C1CCOC[C@@H]1CN1CCCCC1	787153936	SEOBHVQEGUPLSZ-AWEZNQCLSA-N	308.426	1.574	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)C[n+]1ccccc1)CCC2	794455286	CYQACPQNYQXFDD-UHFFFAOYSA-O	310.377	1.840	50	20	DDGD	
C[C@@H](Cc1cccnc1)NC(=O)NNC(=O)CC(F)(F)F	898341003	WPGJTXWUBIHHHS-QMMMGPOBSA-N	304.272	1.295	50	20	DDGD	
O=C(NN=Cc1cscc1Br)N1CCOCC1	794903966	VRDKKTJEDRQMQP-UHFFFAOYSA-N	318.196	1.886	50	20	DDGD	
CCOCCC(=O)NNC(=O)c1cc(C)nc2ccccc12	799010559	IHPSIKYQBYIMRV-UHFFFAOYSA-N	301.346	1.731	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)c1csc(O)n1	792335164	JRIUTXSPJNUDMB-UHFFFAOYSA-N	315.152	1.763	50	20	DDGD	
C=C(CBr)CN(CCC#N)CCN1CCOCC1	791474597	WCUPCDNODMDKHV-UHFFFAOYSA-N	316.243	1.485	50	20	DDGD	
Cc1cccnc1NNC(=O)C[C@H](NC(N)=O)c1ccccc1	791224150	PVCBRXOTJIOKEI-ZDUSSCGKSA-N	313.361	1.633	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1cccnc1-n1cncn1	792289329	REVWTWVBUZETCD-UHFFFAOYSA-N	310.321	1.514	50	20	DDGD	
Cc1cccc(C(=O)NNS(=O)(=O)c2cccc(F)c2)n1	794599820	PDJVCSZNRPTLAA-UHFFFAOYSA-N	309.322	1.152	50	20	DDGD	
C[S@@](=O)c1ccc(CC(=O)NNc2ncncc2Cl)cc1	797998017	WZEMZBQIAMXYAX-OAQYLSRUSA-N	324.793	1.553	50	20	DDGD	
O=C(NN=C1CCC12CCOCC2)c1cc([N+](=O)[O-])ccc1O	799882379	OSSPQSGXIQDMTP-UHFFFAOYSA-N	319.317	1.977	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)N[C@H]1C=CCCC1	1319253627	LJTJVECZGJODFB-NSHDSACASA-N	307.325	1.644	50	20	DDGD	
Cc1ncccc1CC(=O)NNc1ccc(C(F)(F)F)nn1	1325890875	AJJSIJMUMLFGNG-UHFFFAOYSA-N	311.267	1.885	50	20	DDGD	
CCCCCNC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1328615718	QVJZLHDDOKPEAZ-CABZTGNLSA-N	305.216	1.583	50	20	DDGD	
CC[C@H](C)CC[C@H](O)CC(=O)NNC(=O)[C@H]1CCCCO1	1326586990	HLYVJZNFOJQFIG-RWMBFGLXSA-N	300.399	1.280	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc(Br)cn1	1251539760	VQSNNJQJSXXKGA-UHFFFAOYSA-N	317.212	1.361	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)c2ccc(OC)cc2)c(C)n1	1335367787	VRPLCBZBMIKCNL-UHFFFAOYSA-N	316.361	1.685	50	20	DDGD	
Cc1cnc(Cl)c(NC(=O)C(=O)NNc2ccc(C)nn2)c1	1338791738	IXPFZZSCZOUIHH-UHFFFAOYSA-N	320.740	1.224	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@@H]2C[C@H]2F)ccc1OC(C)C	1346233063	ADYFOARWPMUSLI-GHMZBOCLSA-N	310.325	1.601	50	20	DDGD	
COCc1ncsc1C(=O)NNc1cc(Cl)nc(N)n1	1345433024	MCFAGXHUBJXPAG-UHFFFAOYSA-N	314.758	1.072	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCc2nccn2C)c1F	1352271816	ABEBKLVKNKQBSH-UHFFFAOYSA-N	320.324	1.422	50	20	DDGD	
CC1(C)CN(C(=O)C2CCC(Cl)CC2)CCN1CCO	1528151462	CVRSNOYLLNTKBF-UHFFFAOYSA-N	302.846	1.699	50	20	DDGD	
C[C@@H](CC(=O)O)C(=O)NNc1nc2ccccc2[nH]c1=S	1604095111	PEGHDVJVBGXKKQ-ZETCQYMHSA-N	306.347	1.846	50	20	DDGD	
Cc1c(NNC(=O)[C@H](O)c2ccccc2)cccc1C(=O)O	1600050267	BKRQTPUZYIBFIN-CQSZACIVSA-N	300.314	1.870	50	20	DDGD	
O=C(/C=C/c1ccc(C(=O)O)o1)NNC(=O)c1ccccc1F	1608286400	UFSKCASYQKTDBK-SOFGYWHQSA-N	318.260	1.591	50	20	DDGD	
O=C(NNC(=O)C(=O)O)Nc1ncc(-c2ccccc2)s1	1608477541	LDPGWOBAMZGNOJ-UHFFFAOYSA-N	306.303	1.047	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1ccc([N+](=O)[O-])s1	1605821112	SUICUEYHQWBNJV-UHFFFAOYSA-N	308.275	1.506	50	20	DDGD	
Cc1cc(C(=O)O)ccc1NC(=O)NNc1ncc(F)cn1	1600122306	CJBZNCDBDSIPTL-UHFFFAOYSA-N	305.269	1.771	50	20	DDGD	
O=C(Cc1ccccc1C(=O)O)NN=c1cc[nH]cc1Cl	1608367981	OWTXJVKJEKZXRT-UHFFFAOYSA-N	305.721	1.541	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc(C(=O)O)c2)cc1F	1600340855	ACHRVIAZMKFCHV-UHFFFAOYSA-N	316.288	1.907	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@H]3CC[C@@H](C(=O)O)O3)nc12	1600561597	SAAOVFGJFAQZCN-BDAKNGLRSA-N	321.358	1.680	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)c1ccc2nonc2c1	1601556790	KSECCAKZRPEGBI-UHFFFAOYSA-N	316.248	1.817	50	20	DDGD	
COCc1nc(Cl)cc(NNC(=O)[C@@H](C(=O)O)C(C)C)n1	1604648667	KQGWAKNRKITADZ-JTQLQIEISA-N	316.745	1.076	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H]2CC[C@H]2C(=O)O)cc(C#N)n1C	1600009793	RRWWBDVEZXMLPK-BKUFQFCKSA-N	312.329	1.092	50	20	DDGD	
CN(C)c1cc(C(=O)NN=C2CCC[C@@H](C(=O)O)C2)ccn1	1606047058	OEPNLHAWJODFQG-LLVKDONJSA-N	304.350	1.508	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)NOCCC(F)(F)F	1601559126	MCSXZFNZHXZMMT-UHFFFAOYSA-N	307.228	1.895	50	20	DDGD	
CC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)S	1802294782	MEMWNACYKREJQL-SVNGYHJRSA-N	318.870	1.960	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccnn1C)[C@@H]1CCOC1	1549314729	FWIBBVOSFDHVPT-NFAWXSAZSA-N	320.393	1.416	50	20	DDGD	
Cc1cc(NNC(=O)C2=NO[C@]3(CCCNC3)C2)ccc1Cl	1579635222	ASNYNMQXJBZUEM-OAHLLOKOSA-N	322.796	1.990	50	20	DDGD	
O=C(CCC1CNC1)NNC(=O)Cc1ccc2ccccc2c1	1580526718	POIOKEQZVJDOTI-UHFFFAOYSA-N	311.385	1.529	50	20	DDGD	
CC(C)(CCl)C(=O)N1CC2(CCCN2C(=O)c2cn[nH]c2)C1	1843499954	NOYOYKHDALGJOX-UHFFFAOYSA-N	324.812	1.492	50	20	DDGD	
N[C@@H]1CCO[C@@H]([C@@H]2CCCCN2S(=O)(=O)CCCCl)C1	1580197816	CKMSLZIRPKWVIG-FRRDWIJNSA-N	324.874	1.306	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1CC2	1589741008	YBJYCCZEIURUHH-DJIHRAIXSA-N	308.378	1.483	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)C(C)(F)F)C2	1845164108	LKNSECRFOHSJSQ-SECBINFHSA-N	308.756	1.862	50	20	DDGD	
O=C(NNc1ncccc1Br)[C@@H]1CCCCCN1	1580742903	JDQVOHSQYTURQR-JTQLQIEISA-N	313.199	1.819	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cncc2[nH]ccc12	1593165338	CFZDBBOAOSHQNE-UHFFFAOYSA-N	320.316	1.500	50	20	DDGD	
CC[C@@H](C)[C@H](NNC(=O)Cn1ccc2ccccc21)C(=O)O	1594922422	ZPEQTFAMAROPCQ-ABAIWWIYSA-N	303.362	1.761	50	20	DDGD	
CNc1nc(C(=O)NNc2cccc(C(=O)O)c2F)cs1	1598680856	CFXNXDBXYSZIOW-UHFFFAOYSA-N	310.310	1.779	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)N[C@H]1CCCC[C@H]1F	1593166041	RRKPCNMELSUNPE-NEPJUHHUSA-N	319.344	1.774	50	20	DDGD	
CC1(C)CO[C@@H](CCC(=O)NNc2ccc(C(=O)O)cn2)C1	1593955548	ZJHJEPDLNCZZPM-NSHDSACASA-N	307.350	1.818	50	20	DDGD	
O=C(O)/C=C\c1ccc(C=NNC(=O)N=c2cc[nH]cc2)o1	1776077994	UNEIXHFDOSQAEA-IGCRCVNYSA-N	300.274	1.350	50	20	DDGD	
COC(=O)/C(C#N)=C/c1cn(CC(=O)O)nc1-c1ccccc1	1776114892	FQYVXJAYZPAJOP-KPKJPENVSA-N	311.297	1.715	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)n[nH]1	150958353	ZWQMWSOOMUOAMM-SNVBAGLBSA-N	320.324	1.015	50	20	DDGD	
Cc1noc(C)c1CCC(=O)NNc1ncccc1[N+](=O)[O-]	152841176	HOIOBWLJEVENIJ-UHFFFAOYSA-N	305.294	1.671	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)[C@@H]1CCCCO1	153200129	AYCWENZIYHHMRH-NSHDSACASA-N	313.448	1.355	50	20	DDGD	
N#Cc1ccc(NNC(=O)CNC(=O)OCc2ccccc2)cc1	155581864	KJMCDLLWKMNJPD-UHFFFAOYSA-N	324.340	1.928	50	20	DDGD	
C[C@@]1(C(N)=O)CCN(S(=O)(=O)c2ccc(CCl)cc2)C1	312483187	HSKQMNYIERNKNQ-CYBMUJFWSA-N	316.810	1.311	50	20	DDGD	
CN(CC(=O)NCC1CCC1)NC(=O)OCc1ccccc1	859388719	ZOUQDBYRKFJZPN-UHFFFAOYSA-N	305.378	1.676	50	20	DDGD	
CN(C1CCC(CO)CC1)S(=O)(=O)CBr	782473774	IYVSKGROZRDCOS-UHFFFAOYSA-N	300.218	1.152	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccccc2[N+](=O)[O-])nn1	106261064	KYYCBEGGSHJTRV-UHFFFAOYSA-N	302.294	1.520	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1csc([N+](=O)[O-])c1	178152974	PNAHBOXHVPDHCF-UHFFFAOYSA-N	323.359	1.683	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)Nc1ccncc1	104776010	IQWVIFYQBCFTLA-UHFFFAOYSA-N	309.329	1.889	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cc(=O)c2ccccc2o1	103199265	WKRYGAJBGWHRRC-UHFFFAOYSA-N	302.330	1.990	50	20	DDGD	
C[C@@H]1Cc2cc(S(=O)(=O)NNC(=O)C(C)(C)C)ccc2O1	106007130	PQNIKLMNWNQBHC-SECBINFHSA-N	312.391	1.366	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)CC2=CCCCC2)cc1	106727686	OAHKDOALLAAQJN-UHFFFAOYSA-N	313.357	1.975	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCc2cccc(F)c2F)cn1	117683071	JFEORFHWCLZXST-UHFFFAOYSA-N	308.288	1.092	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H]2CCCO[C@H]2C(C)C)nn1	176792873	OURZWMCJKJPRST-OCCSQVGLSA-N	307.398	1.862	50	20	DDGD	
Cc1[nH]c(-c2ccccn2)n/c(=N\NC(=O)c2ccoc2)c1C	114892630	MVGIUJVPINXBPJ-UHFFFAOYSA-N	309.329	1.927	50	20	DDGD	
Cc1ncccc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	170976055	MPWLSCFVBVJSTO-LLVKDONJSA-N	317.320	1.758	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@@H]1CCC[C@H]1c1ccccc1	111900919	FQQZVKKNVUZXIX-ZNMIVQPWSA-N	317.389	1.832	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)ccc1O)c1ccccc1O	69664853	ZDIZNWSJQOCWHX-UHFFFAOYSA-N	306.705	1.826	50	20	DDGD	
CCCN(C)c1ccc(C(=O)NNC(=O)c2cnn(C)c2)cc1	117678541	OINQORUZKMSGIM-UHFFFAOYSA-N	315.377	1.341	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NCc1cccnc1	69163960	YBXHPFXQTQHABL-UHFFFAOYSA-N	312.373	1.935	50	20	DDGD	
CN(C)[C@H](CNS(=O)(=O)CBr)c1ccccc1	127357931	UCESJRWZYIWTKM-LLVKDONJSA-N	321.240	1.561	50	20	DDGD	
CCC1=C(C(=O)NNC(=O)COCc2ccccc2)CCCO1	187874999	IRXIQHADZHHJGJ-UHFFFAOYSA-N	318.373	1.825	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1cc(F)cc(F)c1	126073642	CGFCVKNXGYENNN-UHFFFAOYSA-N	313.304	1.487	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NNC(=O)Cc1ccncc1	185883729	WUAKNVJFBSKDAX-HUUCEWRRSA-N	319.405	1.757	50	20	DDGD	
CC(=O)NC[C@@H]1CN(/C(=C/C#N)c2ccc(F)cc2)CCO1	79323895	NTFDMFDTAABULP-AHVDBNSQSA-N	303.337	1.527	50	20	DDGD	
COc1ccc(NNC(=O)CN2CCC(C)CC2)c([N+](=O)[O-])c1	122639994	LYUKSOVGELNTTN-UHFFFAOYSA-N	322.365	1.778	50	20	DDGD	
N#Cc1cc(F)c(C(=O)NNC(=O)c2ccccc2O)c(F)c1	124129520	LTIZLCPVQKQNRX-UHFFFAOYSA-N	317.251	1.617	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)/C(C#N)=C\c2ccc(O)cc2)n1	188118475	RPGXWWDHSAQYGZ-JYRVWZFOSA-N	309.329	1.849	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NNc1ccc(OC(F)F)cc1	122967187	NGELROLBXZQTSL-MRVPVSSYSA-N	302.277	1.930	50	20	DDGD	
O=C(NC[C@H]1CCCO1)NNC(=O)c1ccc2ccccc2c1	129046008	AQDNLNIBUYPNFJ-OAHLLOKOSA-N	313.357	1.963	50	20	DDGD	
CCC(CC)N1C[C@H](C(=O)NNc2ncc(F)cn2)CC1=O	122824797	BCCLIJROWIMAQP-SECBINFHSA-N	309.345	1.096	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)NC[C@@H]1C[C@H]1C	47098981	CAWWEZHPTPPYIX-MNOVXSKESA-N	307.350	1.060	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCOCC(F)F	191379430	XGRWJQFISOTPSS-UHFFFAOYSA-N	309.744	1.750	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCOC2CCOCC2)s1	84586580	DUTUXLQAPMSXOH-UHFFFAOYSA-N	312.391	1.403	50	20	DDGD	
O=C(COCCOc1ccccc1)NNC(=O)CC1CCCC1	195209445	ZFXSUJUCFNEHFM-UHFFFAOYSA-N	320.389	1.810	50	20	DDGD	
NNC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1	193006655	NIIDAXTWKVWAMY-UHFFFAOYSA-N	311.388	1.081	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1cccc(OCC#N)c1	89759388	QGYJSFRXKSKKOT-UHFFFAOYSA-N	304.350	1.262	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C(C)(C)O)c2ccccc12	192920078	CAZLKAXTWKKAOW-UHFFFAOYSA-N	302.330	1.380	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)C(C)(C)O)on2)cc1	190058413	GMYQWSZSMDUUCQ-UHFFFAOYSA-N	303.318	1.182	50	20	DDGD	
CC(C)=CC(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1	93176424	LRYCUQATCVBUNJ-UHFFFAOYSA-N	309.753	1.070	50	20	DDGD	
CC(=O)Nc1ccc(C)c(NC(=O)NNc2cnccn2)c1	92424871	GUOFUGKVFLLTDT-UHFFFAOYSA-N	300.322	1.892	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cnn(C)c1)[C@H]1C[C@H]2CC[C@H]1C2	246626441	CKEHSRILBILUEN-MRBYEJRBSA-N	305.382	1.189	50	20	DDGD	
CCOCCCN1CC[C@H](N/C=C(/C#N)C(=O)OCC)[C@@H](C)C1	255566263	VOFGNTVFQUYVSA-USPZYKGHSA-N	323.437	1.684	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCOCC2)cc1)c1ccncc1	250248003	LWGFBWMAJBIBAJ-UHFFFAOYSA-N	310.357	1.682	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCOc2ccccc2)n1	266977939	RHKGEALWYJMECX-UHFFFAOYSA-N	317.349	1.499	50	20	DDGD	
O=C(NC[C@H]1CSCCS1)NNc1ccc(Cl)nn1	268079970	GDBKDXNXBFCLSE-ZETCQYMHSA-N	319.843	1.605	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc2c(s1)CCCC2	269372960	YUACXFSIBBDAHI-NSHDSACASA-N	308.403	1.957	50	20	DDGD	
COCCC1(CNC(=O)NNc2nc(C)cc(OC)n2)CCC1	268511501	CFLXVZDBAXDBCN-UHFFFAOYSA-N	323.397	1.627	50	20	DDGD	
O=C(NNC(=S)NCc1ccc(F)cc1)[C@H]1CCCS1	266588486	SHUYDAABRBBPMX-LLVKDONJSA-N	313.423	1.717	50	20	DDGD	
CCN(CC(C)(C)O)C(=O)c1c(C)nn(CCCl)c1C	266963636	DKSUDRQVBADLJI-UHFFFAOYSA-N	301.818	1.972	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)NC[C@H]3CC=CCC3)nc21	269423185	PJTXXNOACHXIKF-VIFPVBQESA-N	317.353	1.051	50	20	DDGD	
Cn1ccnc(NNC(=O)CCCOc2ccccc2)c1=O	267205661	KOJXAPWTXZQIFV-UHFFFAOYSA-N	302.334	1.083	50	20	DDGD	
CSC[C@@](C)(O)CNC(=O)c1c(C)nn(CCCl)c1C	266822163	FXYCVJKFDVUJQG-ZDUSSCGKSA-N	319.858	1.583	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1nc2c(s1)COCC2	274069429	FKIXMOMILYZBMR-UHFFFAOYSA-N	322.350	1.163	50	20	DDGD	
CCN1CCOC[C@@H]1C(=O)NNc1ccc(Cl)c(OC)c1	364191780	SXAFBSYSMFOIEW-GFCCVEGCSA-N	313.785	1.512	50	20	DDGD	
O=C(NNc1ncccn1)[C@H]1CC(=O)N(c2ccccc2F)C1	363067785	RSNBJHKEGUETDT-JTQLQIEISA-N	315.308	1.112	50	20	DDGD	
NNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1	270208336	ITPNOAOQKUEGRI-UHFFFAOYSA-N	302.783	1.416	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cc(C)sn2)cc1	277586887	LCAVKAAIOVRZFT-UHFFFAOYSA-N	319.386	1.854	50	20	DDGD	
C[C@@H](CCC(C)(C)C)C(=O)NNc1nc(O)c2cnn(C)c2n1	273420796	JUBGFUHDFIHRSL-VIFPVBQESA-N	320.397	1.974	50	20	DDGD	
CNC(=O)NNC(=O)[C@H](C)Oc1ccc(C(F)(F)F)cc1	275401882	ISSMCLMSQFVCGQ-ZETCQYMHSA-N	305.256	1.433	50	20	DDGD	
CC(C)(C)[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1ccncc1	276918737	RLUGVHWJWVNFRF-STQMWFEESA-N	320.393	1.363	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@H]1CCC[C@H]1CCO	275422439	UJVDIPNJZRZUIP-GWCFXTLKSA-N	309.341	1.321	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	372362613	YKLFFAPWETUICG-FOGDFJRCSA-N	322.386	1.199	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cnc2n1CCCC2	371018969	PEFUDLVLZPGUKQ-UHFFFAOYSA-N	301.306	1.885	50	20	DDGD	
COCCc1ccnc(NC(=O)NNC(=O)c2ccc(C)o2)c1	287322581	LWKFJMMHUTZSAM-UHFFFAOYSA-N	318.333	1.638	50	20	DDGD	
COc1cc(Cl)c(NC(=O)NNC(=O)CN(C)C)cc1C	288982634	SUDSUHMPIBTRTD-UHFFFAOYSA-N	314.773	1.371	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)C[C@@H]2CCCC[C@H]2O)c1	280845209	VWQZYLOABZRQHS-SWLSCSKDSA-N	319.405	1.455	50	20	DDGD	
CC[C@@H]1C[C@H]1NC(=O)NNC(=O)COc1ccc(OC)cc1	280766369	MLTIIBQEDPRGRY-ZWNOBZJWSA-N	307.350	1.203	50	20	DDGD	
Cc1cc(OCC(=O)NNC(=O)C(C)(C)C)ccc1[N+](=O)[O-]	280439574	AVCRSKUUUXDNRC-UHFFFAOYSA-N	309.322	1.476	50	20	DDGD	
COCC1(C(=O)NNC(=O)COc2cc(C)cc(C)c2)CCC1	284242347	HNJGQCYGGIBORH-UHFFFAOYSA-N	320.389	1.646	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)c1ccc(Cl)cc1OC	280937348	IOTWXDALGHGCHK-AWEZNQCLSA-N	314.769	1.925	50	20	DDGD	
COC(=O)[C@@H]1CC[C@H]1C(=O)NNc1ncnc2ccsc12	286871231	YZGSJIUWADLWOG-HTQZYQBOSA-N	306.347	1.334	50	20	DDGD	
CCc1noc(NC(=O)NNC(=O)CCc2ccccc2O)n1	296668772	FRAZGMLNIOGUOK-UHFFFAOYSA-N	319.321	1.123	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNC(=O)c2ccc(C)o2)c1C	292604249	WGIJFSLNPRTXPU-UHFFFAOYSA-N	304.350	1.425	50	20	DDGD	
COCCN(C)NC(=O)CSc1nccc2ccccc12	293511280	CDGYTMPIIKDFSD-UHFFFAOYSA-N	305.403	1.936	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)Nc1cccc(F)n1	806428503	IXIFIDWUOQUEET-UHFFFAOYSA-N	314.284	1.345	50	20	DDGD	
CC(C)(C)n1ncnc1CNC(=O)NNc1ccc(F)cc1	800742795	GZQKGMJLIGDEMQ-UHFFFAOYSA-N	306.345	1.999	50	20	DDGD	
C#CCCOc1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)cc1	295691877	ZDYOMEZBDGLUJE-HNNXBMFYSA-N	316.357	1.419	50	20	DDGD	
CC(=O)NCCCCCC(=O)NNC(=O)c1ccccc1F	299214537	LRPQVROBDXQLBH-UHFFFAOYSA-N	309.341	1.283	50	20	DDGD	
CCOCCC1(C(=O)NNC(=O)N=c2cc[nH]cc2)CCC1	802024001	CUVDUSYUVSAJJK-UHFFFAOYSA-N	306.366	1.253	50	20	DDGD	
O=C(CNC(=O)c1ccccc1)NNC(=O)Nc1ccccc1	801992400	LOTSKWMJVMFOHJ-UHFFFAOYSA-N	312.329	1.269	50	20	DDGD	
COC(=O)Cc1cccc(NC(=O)NNc2ncccc2F)n1	806454388	GEBSZSLKDWTTRA-UHFFFAOYSA-N	319.296	1.480	50	20	DDGD	
O=C(Cc1ccc2c(c1)OCO2)NNC(=O)NC1CCCCC1	298943156	DQXKGUVLZLZKFX-UHFFFAOYSA-N	319.361	1.621	50	20	DDGD	
C[C@H](Cc1ccccc1F)C(=O)NNC(=O)[C@@H]1CCCCO1	295300244	DZSAPQDYXKHUQV-RISCZKNCSA-N	308.353	1.721	50	20	DDGD	
Cc1cc2ncc(C(=O)NNC(=O)Nc3ccccc3)c(C)n2n1	801987429	GRQTZGRQJCOZNQ-UHFFFAOYSA-N	324.344	1.813	50	20	DDGD	
COc1ccc(C(=O)C(=O)NNC(=O)CC2CC2)cc1Cl	294294433	WNWSBTJXIGWQJB-UHFFFAOYSA-N	310.737	1.479	50	20	DDGD	
N#C/C=C(\c1ccccc1)N1CCC[C@@H](n2cc(CO)nn2)C1	293079314	WCCBBLHCENZOAH-SOQAFLNVSA-N	309.373	1.972	50	20	DDGD	
COc1cccc2c(C(=O)NNC(=O)c3ccc(C)o3)n[nH]c12	809711827	OZPKICLXKRQBFR-UHFFFAOYSA-N	314.301	1.548	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)C(=O)Nc2ccccn2)[C@@H]1SC	807977481	OQALCURUAASUDS-JQWIXIFHSA-N	322.390	1.033	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1	290898334	DRQPYUQTEAXRMY-CQSZACIVSA-N	307.306	1.171	50	20	DDGD	
Cc1ncoc1C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802105450	WHMCVNDYBIYIJT-UHFFFAOYSA-N	304.262	1.178	50	20	DDGD	
NC(=O)CCCC(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	295705490	CAOXYNXDXRHKPE-UHFFFAOYSA-N	300.702	1.347	50	20	DDGD	
O=C(CCSCc1ccccn1)NNC(=O)[C@@H]1CCCO1	294007235	MNHLCEZATLNVTR-LBPRGKRZSA-N	309.391	1.031	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCCCCC#N	807206220	QQHFFJRWMVKLEX-UHFFFAOYSA-N	312.370	1.133	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1ccccc1C#N	814826752	GIOJCJGWOUAWBK-UHFFFAOYSA-N	310.313	1.421	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2cc(F)c[nH]2)c1	814720137	JMQXLNBAVIZOEA-UHFFFAOYSA-N	305.309	1.611	50	20	DDGD	
O=C(NC[C@H]1COc2ccccc21)NNc1nc2ccccn2n1	812442702	HPPKQUVZCJLVNQ-NSHDSACASA-N	324.344	1.532	50	20	DDGD	
CC(=NNC(=O)COc1cc(C)ccc1C)c1cnnn1C	814721348	XKHJUACVLLKCDE-UHFFFAOYSA-N	301.350	1.351	50	20	DDGD	
CCOc1ccc(C(=O)CCC(=O)NNc2cnnn2C)cc1	816769982	FVJBIZSGJHWAJX-UHFFFAOYSA-N	317.349	1.320	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COc2cc(F)cc(F)c2)n1	810713101	LRJDAJWCGQHSCG-UHFFFAOYSA-N	321.283	1.508	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)n1	816595615	UETCCBNSDHEVTP-UHFFFAOYSA-N	324.291	1.351	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)CN1CCCNC1=O	812766039	DWOJGUYDVDTDCH-UHFFFAOYSA-N	304.394	1.977	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1conc1C1CC1	811318461	IYUFMKMCWATPEH-VIFPVBQESA-N	323.349	1.291	50	20	DDGD	
CN(C)C(=O)NNC(=S)NCc1cccc(C(F)(F)F)c1	726485615	SODKIHWYXHDVHP-UHFFFAOYSA-N	320.340	1.856	50	20	DDGD	
CC[C@H](Cc1ccccc1C)C(=O)NNC(=O)Cc1cc[nH]n1	819253977	TWDHRXRVPJDFII-CYBMUJFWSA-N	314.389	1.677	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc(C(C)=O)c(O)c2)n1	816860078	WPDCLNVOUADZNF-UHFFFAOYSA-N	302.290	1.150	50	20	DDGD	
O=C(NCc1ccc2c(c1)CCO2)NNC(=O)C1CCCC1	726272957	VJUKDMVIXCMTGJ-UHFFFAOYSA-N	303.362	1.642	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(Br)c(C)c1	823869149	BBPOYLGQEFQFQZ-UHFFFAOYSA-N	301.184	1.717	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCCC[C@@H]2CCCCO2)cn1	491163717	XUKBGGCEPNFYJU-HNRFISLBSA-N	302.378	1.793	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1CC[C@H](C2CCC2)CC1	826668148	WCBIQGLRSYVLOK-JOCQHMNTSA-N	304.394	1.706	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNC(=O)c1cccc2ncccc12	491542763	BTLCDODDWNOIKL-GFCCVEGCSA-N	310.357	1.981	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)SC	826108429	JLKUHXNSDZJOBQ-GHMZBOCLSA-N	317.455	1.664	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccccc1SC(F)F	495406257	BVOIRRIOKYMHLD-UHFFFAOYSA-N	319.289	1.327	50	20	DDGD	
COC(=O)NCCC(=O)NNc1ccc(OC(F)F)cc1	493880887	VDVRJCYRIBSAGV-UHFFFAOYSA-N	303.265	1.477	50	20	DDGD	
CN(C/C=C\C(=O)NNc1ncccc1F)CC(F)(F)F	493866099	AQYPBGUASXKCJJ-HYXAFXHYSA-N	306.263	1.714	50	20	DDGD	
COC(=O)c1cc2c(/C=C(\C#N)C(N)=O)ccc(OC)c2o1	490726318	PFTWWZROYOCDMD-WEVVVXLNSA-N	300.270	1.620	50	20	DDGD	
C=CCc1cc(C(=O)NN(C)[C@H](C)CO)cc(OC)c1OC	823982670	CJRYNTZYZLCHCV-LLVKDONJSA-N	308.378	1.390	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)/C=C\[C@H]1CCOC1	493814385	DOOLBZCORACEDS-ODTOEKCJSA-N	324.764	1.702	50	20	DDGD	
CC(C)S(=O)(=O)CCNC(=O)[C@@]1(C)C[C@@H]1Br	822026528	JVIFOICPTHTXTC-WPRPVWTQSA-N	312.229	1.099	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)CCC1CCCCC1)C(=O)O	826586079	XJXKMSVEJMRPGX-UHFFFAOYSA-N	313.398	1.788	50	20	DDGD	
O=C(CCCC(=O)C1CC1)NNC(=O)NCCc1cccs1	822786136	KSDPUYSLAFPBFN-UHFFFAOYSA-N	323.418	1.770	50	20	DDGD	
COC(=O)N(C)N=Cc1cc(OC)c(OC(C)=O)c(OC)c1	495810330	NZBBPAWUHGNXQX-UHFFFAOYSA-N	310.306	1.661	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CSc1nncn1C	726945515	VFRMBDVGUVQAAV-UHFFFAOYSA-N	324.318	1.430	50	20	DDGD	
O=C(NN=C[C@@H]1C[C@H]2C=C[C@H]1C2)c1cccc(-c2nn[nH]n2)c1	826444835	WPSFIGBCIQWKHQ-MJVIPROJSA-N	308.345	1.795	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)/C=C/c1ccc[nH]1	493557369	SXCHFPKNHPNGSQ-CMDGGOBGSA-N	314.345	1.296	50	20	DDGD	
CON(CC(=O)NNC(=O)C(C)C)Cc1ccccc1Cl	829967355	IXLLCKLCUJLWLJ-UHFFFAOYSA-N	313.785	1.507	50	20	DDGD	
CC[C@](C)(O)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	829002642	BHEHMTRTNCDISP-AWEZNQCLSA-N	310.423	1.231	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)n1	820523818	SKPDVCXLFNFLJR-JHJVBQTASA-N	317.393	1.231	50	20	DDGD	
N#Cc1cccc(C(=O)NN=Cc2ccc(-c3nn[nH]n3)o2)c1	822837151	HAGWNSMUTBFUHK-UHFFFAOYSA-N	307.273	1.095	50	20	DDGD	
CC(=O)NNC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1	728604110	UUEXRBCJUURYFG-UHFFFAOYSA-N	305.315	1.320	50	20	DDGD	
C[C@H](CNC(=O)c1cc(B(O)O)ccc1F)Cc1cccs1	584950937	LXFNJGFUUGHKGL-JTQLQIEISA-N	321.182	1.176	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@H](NC(=O)/C(C#N)=C/c2cnn(C)c2)C1(C)C	491048327	KVNPECPHOVDKRJ-LRGWPFLJSA-N	302.378	1.503	50	20	DDGD	
C[C@H](O)CN(CC(F)F)C(=O)/C(C#N)=C/c1ccc(O)cc1	491080826	FMZLWFNJSAORSP-PQTFEYQYSA-N	310.300	1.774	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1C[C@@H]2c3ccccc3CC[C@H]21	585050050	POUGHHVZEKYWSJ-ZHALLVOQSA-N	307.202	1.575	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1CCS[C@@H]2CCCC[C@H]21	584960171	IAFNCFKHRPWRQK-ZIAGYGMSSA-N	323.198	1.006	50	20	DDGD	
O=C(c1ccc(SC(F)F)cc1)N1CC[C@H](B(O)O)C1	585068713	GCTXWAMASOSLEZ-VIFPVBQESA-N	301.123	1.690	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1ccc(S(C)(=O)=O)s1	490701771	XWFATXUZGMVECP-HJWRWDBZSA-N	314.388	1.212	50	20	DDGD	
CCc1nc2ccc(C(=O)NN(C)[C@@H](C)CO)cc2nc1CC	823976504	FGSNVWRMJAYJCN-NSHDSACASA-N	316.405	1.712	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1cncc(F)c1	826951188	ICBRXPPGLDVYEG-AUTRQRHGSA-N	310.329	1.037	50	20	DDGD	
CC(C)n1cnnc1CN(C)C(=O)[C@]1(C)C[C@@H]1Br	908368276	LVFMXXIWXBRYGC-JOYOIKCWSA-N	315.215	1.991	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1ccc(Br)cn1	735410822	YXZJGTCTRRBBGU-UHFFFAOYSA-N	308.139	1.640	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)[C@H](C)NC(=O)OC(C)(C)C	496453764	GZEGMMYHLDKAEF-JTQLQIEISA-N	314.386	1.317	50	20	DDGD	
CCCOc1cc(OC)ccc1C(=O)N1CC[C@H](B(O)O)C1	585063671	FFXRCIMJLMWAEP-NSHDSACASA-N	307.155	1.173	50	20	DDGD	
CCn1cc(Cl)cc1C(=O)NNC(=O)Cn1nc(C)cc1C	905160851	QGMVCJTYKVXHHY-UHFFFAOYSA-N	323.784	1.436	50	20	DDGD	
C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)c1cccc(B(O)O)c1	584984825	CJILGXDAOHPLAQ-GOEBONIOSA-N	323.201	1.775	50	20	DDGD	
Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CC[C@H](B(O)O)C2)c1	585070109	WETCTGPBVCFCGX-KBPBESRZSA-N	319.210	1.961	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C1=CC[C@@H](C)CC1	838344383	CUANRNOJRBSQTR-NEPJUHHUSA-N	310.394	1.858	50	20	DDGD	
C=C(CC)CNC(=O)NNC(=O)COc1ccccc1OC	836192601	WWMMSQJPZREDRQ-UHFFFAOYSA-N	307.350	1.371	50	20	DDGD	
O=C(NNS(=O)(=O)C1=Cc2ccccc2CC1)C1CCC1	732047695	AHTDRRCASKIITQ-UHFFFAOYSA-N	306.387	1.724	50	20	DDGD	
COC[C@@H]1CCCCN1CC(=O)NNC(=O)c1ccc(F)cc1	839616847	WCQSEDJHNIDPIG-AWEZNQCLSA-N	323.368	1.088	50	20	DDGD	
CCOCC(=O)NNC(=S)Nc1cc(OC)ccc1OC	731161016	JPUYGSZRJXZIAO-UHFFFAOYSA-N	313.379	1.058	50	20	DDGD	
Cn1cc(CCC=NNC(=O)NCCc2cccs2)cn1	834946279	MKNKAOIKCGJXED-UHFFFAOYSA-N	305.407	1.942	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)N=c1cc[nH]cc1)C1CCCCC1	836325227	VXFDUTIVWYVMSP-NSHDSACASA-N	305.382	1.808	50	20	DDGD	
CCN1CCO[C@@H](C(=O)NNc2cc(C(F)(F)F)ccn2)C1	832963259	USLUNTDYFUCLON-SNVBAGLBSA-N	318.299	1.264	50	20	DDGD	
Cn1c(C(=O)N2CC[C@@H](B(O)O)C2)c(Cl)c2ccccc21	585064265	DMPSSIHZPYGERJ-SECBINFHSA-N	306.558	1.521	50	20	DDGD	
C[C@]1(C(=O)N2CC[C@H](CS(C)(=O)=O)C2)C[C@H]1Br	908354925	OWXNDTDSKOAAQV-NGZCFLSTSA-N	324.240	1.053	50	20	DDGD	
COC(C)(C)C[C@H](C)NC(=O)NNC(=O)[C@H]1CCCCO1	836324375	MGDZVWGFBCWECV-WDEREUQCSA-N	301.387	1.090	50	20	DDGD	
CC(=NNC(=O)[C@H]1COc2ccccc2O1)c1cncs1	734744045	XUSTZIQMIBPBSQ-GFCCVEGCSA-N	303.343	1.823	50	20	DDGD	
O=[S@](c1ccc(N2CC[C@H](B(O)O)C2)cc1)C(F)(F)F	900964954	IZRUPIXBAGHHJQ-FFVOIRBGSA-N	307.102	1.367	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)c1cc2c(s1)CCC2	732527559	ACUNRAKWGSVTPG-UHFFFAOYSA-N	300.405	1.387	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC[C@]2(C)CCOC2)cc1	733654592	LUJXPYOIJVLSJJ-INIZCTEOSA-N	321.377	1.131	50	20	DDGD	
O=C(C[C@H]1CCc2ccccc2C1)NNC(=O)[C@@H]1CCCCO1	833250158	CUJLHLPXNSVKPZ-BBRMVZONSA-N	316.401	1.898	50	20	DDGD	
C/C(C=NNC(=O)[C@@H]1CCS(=O)(=O)C1)=C\c1ccccc1	730575954	JUVMRRBLMSRPKI-SUQMCJMGSA-N	306.387	1.627	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1nc(C(F)(F)F)co1	831826816	FMXKVXUXFVEJFH-RITPCOANSA-N	322.243	1.271	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccnc(Br)c1C	836678583	HNCGDBZVMXTPKT-UHFFFAOYSA-N	317.143	1.935	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCCCC[C@@H]1c1ccncc1	584928532	CXRHCNOSXJMMBH-QGZVFWFLSA-N	324.189	1.519	50	20	DDGD	
Cc1cccc(C)c1OC[C@H](O)CNS(=O)(=O)CCl	830615321	YTJXNESWAJLUPY-LLVKDONJSA-N	307.799	1.159	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1ccc(N2CCCC2)cc1O	833384105	BVIYYTXPRZAOEV-UHFFFAOYSA-N	320.349	1.100	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H](O)c1ccccc1C(F)(F)F	910183101	KZQOZNYXJAARQG-KWQFWETISA-N	306.284	1.083	50	20	DDGD	
CC[C@H]1CN(CC(=O)NNC(=O)c2cccc(C)c2)C[C@@H](C)O1	744400941	RMTYKNDWQRUTND-HIFRSBDPSA-N	319.405	1.255	50	20	DDGD	
O=C(COC[C@H]1CCCO1)NNC(=O)c1cccc(Cl)c1	746387092	CCNPONKZHDTJGO-GFCCVEGCSA-N	312.753	1.297	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC(C)C)ccc1N1CCOCC1	843777848	QKXSONXNNFVQEJ-UHFFFAOYSA-N	320.393	1.184	50	20	DDGD	
CCC[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccccn1	843972860	VQWNQVKQDQTWME-UPJWGTAASA-N	305.378	1.538	50	20	DDGD	
N[C@@H](CNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)C1CC1	841965983	NDZZQXQXBYUZSM-IAHCOWJPSA-N	320.437	1.271	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)c1cccc(N(C)C)c1)C(C)C	743639495	XHUBAPYQHZFMMU-CQSZACIVSA-N	322.409	1.368	50	20	DDGD	
Cc1noc(C2CCC(=NNC(=O)[C@@H]3CCO[C@@H]3C)CC2)n1	842562827	ZJNNSESIMASRMT-QSOGALPCSA-N	306.366	1.933	50	20	DDGD	
Cn1c(NNC(=O)COC[C@H]2CCCO2)nc2ccccc21	848379804	RRWJIWNEJWYOIO-LLVKDONJSA-N	304.350	1.212	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1ccc(Br)nc1	842563373	ZCPBSTQOMDSEJX-WPRPVWTQSA-N	312.167	1.719	50	20	DDGD	
NNC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O	919209061	KQPNGMFMNKQWQQ-UHFFFAOYSA-N	306.372	1.176	50	20	DDGD	
CCCC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CC1(C)C	841615764	FPHNOLMHXSKXHG-WDEREUQCSA-N	300.424	1.740	50	20	DDGD	
C[C@@H](COCC1CC1)NC(=O)NNC(=O)Cc1ccc(F)cc1	845576115	CAGCIOSIJNYYMR-NSHDSACASA-N	323.368	1.514	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1cnn(C(C)(C)C)c1	915952718	JZSDQHWSMQFHHP-CYBMUJFWSA-N	321.425	1.057	50	20	DDGD	
COc1ccccc1-n1ncc(C(=O)NN(C)C[C@@H](C)O)c1C	910150186	PAWIHWYYPBNMSG-LLVKDONJSA-N	318.377	1.147	50	20	DDGD	
O=C(C[C@H]1CCOC1)NNc1ncc(Br)cn1	848321284	OHGXHHDHXVTSBC-SSDOTTSWSA-N	301.144	1.109	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C2CCCC2)c(-c2cccnc2)n1	743855727	IUZVIKFGGAYLTN-UHFFFAOYSA-N	313.361	1.433	50	20	DDGD	
Cc1ncc2n1C[C@@H](C(=O)NNc1cc(Cl)ccn1)CC2	845923140	KSIGMWYVUHDWIE-JTQLQIEISA-N	305.769	1.946	50	20	DDGD	
CCc1nc(C(C)C)ccc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843661529	OPWIZONSVGSESC-NEPJUHHUSA-N	319.405	1.953	50	20	DDGD	
C=CCOc1ccc(C=NNC(=O)C(=O)NC(C)C)cc1OC	744812375	MKNVUWKGQOKNSU-UHFFFAOYSA-N	319.361	1.235	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccc(OCC(F)F)cc1	841135927	GHHNFQQHRLQXLA-UHFFFAOYSA-N	316.308	1.222	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@H]1CCN[C@@H](C)C1)c1ccccc1	841990042	XTOJOHISSIINST-QEJZJMRPSA-N	318.421	1.651	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1cc([N+](=O)[O-])ccc1O	842560765	HMJCIPUNGRSXEW-MWLCHTKSSA-N	307.306	1.566	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1cccc2c1OCO2	841627892	FVYCWJIABGYBAV-NSHDSACASA-N	308.334	1.307	50	20	DDGD	
C[C@@]1(CNC(=O)NCC2(CO)CCC2)C[C@H]1Br	856954416	YKRIDMPLGULGNX-KOLCDFICSA-N	305.216	1.622	50	20	DDGD	
COCCn1cc(C(=O)NCCCSC#N)c(=O)cc1C	854360618	UECGMUKXHVBLAT-UHFFFAOYSA-N	309.391	1.137	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(N2CCCC2=O)c(F)c1	756542171	IVHVHMPTJXVYDU-UHFFFAOYSA-N	308.313	1.515	50	20	DDGD	
C[C@@H]1C[C@@H](C)N(CC(=O)NNC(=O)c2cccc(C#N)c2)C1	756523064	BLTAWUPFLJXGTI-VXGBXAGGSA-N	300.362	1.050	50	20	DDGD	
CO[C@@H]1C[C@@H](NC(=O)NNC(=O)Cc2ccccc2F)C1(C)C	753424249	ANQPUTJNLZOUMF-CHWSQXEVSA-N	323.368	1.512	50	20	DDGD	
COc1ncc(C)cc1NC(=O)NNC(=O)CC(F)(F)F	756848539	NOKVKYYQRQXBCM-UHFFFAOYSA-N	306.244	1.504	50	20	DDGD	
CC[C@@H](C)n1ncc(C(=O)NN(C)C(=S)NC)c1C1CC1	854923185	LGBNUAZGYTYVAM-SECBINFHSA-N	309.439	1.812	50	20	DDGD	
CC[C@@H](C)CCNC(=O)NNC(=O)COc1ccccc1F	851915752	SAYPRWDGKYDDCE-LLVKDONJSA-N	311.357	1.971	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@]2(O)CCSC2)c1C	855625945	NQJUZFHXLMQYIN-CQSZACIVSA-N	310.375	1.093	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C(C)(Cl)Cl	854284141	YCRVQDYCKPAQPJ-UHFFFAOYSA-N	302.227	1.054	50	20	DDGD	
O=Cc1cc(C(=O)NNC(=O)COCc2ccccc2)cs1	755008261	XYZHBTWSCLTNNH-UHFFFAOYSA-N	318.354	1.538	50	20	DDGD	
C[C@H]1COC[C@@H]1NC(=O)NNC(=O)c1ccc(Cl)cc1F	926010662	PMAWEKIJTJDYCJ-CPCISQLKSA-N	315.732	1.458	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)sn1	756857770	QLFLUNDQEUNDPS-UHFFFAOYSA-N	321.318	1.826	50	20	DDGD	
CCn1cc(CNC(=O)NC[C@]2(C)C[C@@H]2Br)nn1	856869920	OLNFGCBTMGJUQT-ONGXEEELSA-N	316.203	1.271	50	20	DDGD	
CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NNC(=O)Cc1cc[nH]n1	755269457	QEJIHDZUWYTIHO-XBFCOCLRSA-N	322.409	1.474	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CC[C@@]2(CCOC2)C1	756915104	ZKRDVUBVEFWIBC-MRXNPFEDSA-N	303.362	1.462	50	20	DDGD	
C[C@H](CC(=O)NNC(=S)NCC1CCC1)c1cnn(C)c1	855092633	LQWLVRSRPDDOMB-SNVBAGLBSA-N	309.439	1.209	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@@H]1CCc2ccccc2O1	855092404	DLWUDIVVQPFCQU-AWEZNQCLSA-N	319.430	1.676	50	20	DDGD	
C[C@]1(CNC(=O)NCC2CCOCC2)C[C@H]1Br	856838735	HVQNQUQPLXOVME-ZYHUDNBSSA-N	305.216	1.886	50	20	DDGD	
N#C[C@@]1(C(=O)NNC(=O)OCC(F)(F)F)CC12CCCC2	856019584	XWWSTQYYVVUTLG-LLVKDONJSA-N	305.256	1.780	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1	755444609	PMFJFLAMOLJNAE-UHFFFAOYSA-N	321.305	1.246	50	20	DDGD	
Cc1nc(C=NNC(=O)c2ccc3c(c2)OCCO3)[nH]c1C	853285968	DZQBGQSRCOQMED-UHFFFAOYSA-N	300.318	1.562	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@@H](C)CN1CCCC1=O	853460121	FVYVRSMOKHDOSX-NSHDSACASA-N	308.357	1.771	50	20	DDGD	
O=C(CN[C@@H](c1ccccn1)C1CC1)NNC(=O)c1ccccc1	932376014	DMLJWHSMWVTDBP-QGZVFWFLSA-N	324.384	1.584	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1csc(N2CCOCC2)n1)C1CC1	853275838	YIWSQPYPAZKUCJ-LBPRGKRZSA-N	324.406	1.120	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1cccc(C(=O)OC)c1C	855627019	DYPXLPLHSGYSEC-UHFFFAOYSA-N	323.349	1.361	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCC3(CCCC3=O)CC2)cn1	856017364	XEDWWVWQDLTABX-ZROIWOOFSA-N	312.373	1.689	50	20	DDGD	
COCCCOc1cccc(C(=O)NNc2cnccn2)c1C	935455272	XJKDIIQATWNRAY-UHFFFAOYSA-N	316.361	1.957	50	20	DDGD	
O=C(C[C@H]1CCS(=O)(=O)C1)NNc1ccc(F)c(Cl)c1	863079294	XUSVWNAVMPCSMB-MRVPVSSYSA-N	320.773	1.747	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CCCCCNC(N)=O)c1	863935974	YZUWLRXTZPSQCT-UHFFFAOYSA-N	312.395	1.046	50	20	DDGD	
C[C@@H](NNC(=O)[C@H]1CC(c2cccnc2)=NO1)C(F)(F)F	862316511	CXYNFLCFNDVYDN-GMSGAONNSA-N	302.256	1.146	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C=C1CCCC1	762786432	FUIONEYDQCWLSQ-UHFFFAOYSA-N	303.362	1.755	50	20	DDGD	
Cc1cc(Cl)c(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1C	861157277	VWROEEYGFOIVSS-SNVBAGLBSA-N	324.768	1.388	50	20	DDGD	
O=C1CCCN1c1cccc(NCc2cccc(B(O)O)c2)c1	864018869	BDCKIKOWTVIITJ-UHFFFAOYSA-N	310.162	1.105	50	20	DDGD	
CCOc1cccc(CCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	862094447	LZVYSURXLZSCCX-IUODEOHRSA-N	320.389	1.590	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CC(O)(C(C)C)C2)cc(C#N)n1C	765588626	FXCOQBYOLWNLEI-LHHJGKSTSA-N	312.373	1.341	50	20	DDGD	
Cn1c(C(=O)NNc2ncnc3ccsc23)ccc1[N+](=O)[O-]	766674014	SUTHAOBIRXUPPB-UHFFFAOYSA-N	318.318	1.695	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cc(O)nc2c1CCCC2	935124467	AAHYEVSJLSFPJI-UHFFFAOYSA-N	303.297	1.352	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])[C@]1(O)CCSC1	765643181	PLXZYYCIWJUKLF-NSHDSACASA-N	317.754	1.559	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2cnc([C@@H](C)O)s2)c1	862479379	LZKCOZPQDCSBAB-SSDOTTSWSA-N	311.388	1.641	50	20	DDGD	
CC(=O)NC[C@H]1CCCN(S(=O)(=O)CC(C)(C)CCl)C1	866643813	LJYFGMDCQSBFSJ-GFCCVEGCSA-N	324.874	1.429	50	20	DDGD	
CC[S@@](=O)c1ccccc1C(=O)NNc1nccnc1OC	764464641	POEASNHZDMYCIC-JOCHJYFZSA-N	320.374	1.370	50	20	DDGD	
CSc1ccc(NC(=O)C(=O)NNC(=O)C2CCCC2)cc1	764065002	TZGZMUKKABHWNH-UHFFFAOYSA-N	321.402	1.685	50	20	DDGD	
COc1nccnc1NNC(=O)c1sc(NC2CC2)nc1C	764462873	BLVWDJYNPZGBTF-UHFFFAOYSA-N	320.378	1.581	50	20	DDGD	
CCc1nocc1C(=O)NNc1nccc(N(CC)CC)n1	863896797	HXTSQXVCXAYQLS-UHFFFAOYSA-N	304.354	1.630	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)c2cnn(C)c2)[C@H](C)C1	761266367	FUNXHYANQYEXEH-GHMZBOCLSA-N	306.366	1.505	50	20	DDGD	
CCC(C)(C)OCc1ccccc1NC(=O)C(=O)NNC(C)=O	763514964	BXQGQRBOWMDSKJ-UHFFFAOYSA-N	321.377	1.498	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CC2CCSCC2)c1O	762168270	VXKFHXPAJGKIBZ-UHFFFAOYSA-N	324.402	1.695	50	20	DDGD	
CCO[C@@H](C(=O)NNc1nc(O)c2ccccc2n1)C1CC1	863895802	VRCMLHOZDCTZCX-GFCCVEGCSA-N	302.334	1.594	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)CC2CCCC2)c2ccccc21	863864049	RJWIVTFYYXNRCM-UHFFFAOYSA-N	300.362	1.915	50	20	DDGD	
Cc1nn(CC(F)(F)F)cc1C(=O)NN[C@@H](C)C(F)(F)F	862314683	HCVNGTMVHWEHMW-LURJTMIESA-N	318.221	1.939	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1nc2ccccc2[nH]c1=S	862293152	OCGHDZMCTWHHER-HTQZYQBOSA-N	317.374	1.247	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2nccc(Cl)c2F)n1	1116884929	DBBLQPQXWHJAME-UHFFFAOYSA-N	308.700	1.652	50	20	DDGD	
COCCCn1cc(C(=O)NNc2ccc(F)cc2OC)cn1	863910476	RFRGYPFVOGKXEA-UHFFFAOYSA-N	322.340	1.824	50	20	DDGD	
Cn1ccnc(NNC(=O)CC(C2CCC2)C2CCC2)c1=O	863893987	GJAPOEBGBAYODD-UHFFFAOYSA-N	304.394	1.830	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCSC1)c1ccc(Cl)cc1O	762163399	OKHRPPJQJTVMMC-ZETCQYMHSA-N	300.767	1.560	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cnc(C3CC3)o2)n1	879173466	NCFPOXLHGPNDIA-UHFFFAOYSA-N	316.365	1.945	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccc(F)cn2)[C@H]2CCCC[C@@H]2N1	874647510	WOHCRJVXWCMIIR-WOPDTQHZSA-N	306.341	1.359	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ccn(Cc2ccccc2)n1	779357385	NWDWWZVWJXCBCW-UHFFFAOYSA-N	313.361	1.884	50	20	DDGD	
CC1=CCC[C@H](C)[C@H]1C=NNC(=O)CNC(=O)c1cccnc1	773203867	XTABMVQNDFNTLM-ZFWWWQNUSA-N	314.389	1.906	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNC(=S)Nc1ccc(C)c(C)c1	873762934	IVCOECIXUGENNT-UHFFFAOYSA-N	323.418	1.963	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc[nH]1	875312663	GVSQWQWMQZNPRH-MJBXVCDLSA-N	304.394	1.642	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(C(=O)OC)cc2F)nn1C	1117799990	GSNSSCOWMZBNJL-UHFFFAOYSA-N	320.324	1.665	50	20	DDGD	
CON(C)C(=O)[C@@H](C)NC(=O)NNc1ccc(C(C)C)cc1	875907988	SDASZNHDNSIVOQ-LLVKDONJSA-N	308.382	1.844	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCCN(C)c1ccccc1F	875131328	BSHMJVRDGZEJQG-UHFFFAOYSA-N	312.345	1.564	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1cc2cccc(OC)c2o1	779817321	OVJHLAXEMHCRKQ-UHFFFAOYSA-N	319.317	1.638	50	20	DDGD	
C[S@@](=O)c1cccc(C(=O)NNC(=O)CC(F)(F)F)c1	770224326	YZGNLMUVNPGFRQ-HXUWFJFHSA-N	308.281	1.137	50	20	DDGD	
Cc1ccc([C@@H](C)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)o1	772167282	VXHDTMZWHRPQGD-VXGBXAGGSA-N	324.377	1.817	50	20	DDGD	
C[C@H](NNC(=O)c1ccc(CN2CCOCC2)o1)C(F)(F)F	880166504	GLKHQEKMJONDML-VIFPVBQESA-N	321.299	1.297	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(C)c(OC)c(C)c1	772240522	UHIKHFJBYARDCT-NSHDSACASA-N	322.361	1.415	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@](C)(O)[C@H](C)c1ccccc1	887144458	NSKUUGKGMDNODM-DYVFJYSZSA-N	302.374	1.492	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NC1(C#N)CCOCC1	781092516	XKOMFRMSRQYVBT-SECBINFHSA-N	303.200	1.985	50	20	DDGD	
CC(=NNC(=O)C(F)F)c1ccc(N2CCOCC2)c(F)c1	782233980	LTJCMYLFOMBQMG-UHFFFAOYSA-N	315.295	1.768	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(F)c(F)c1)[C@H](C)S(C)(=O)=O	885113803	MWVHXTMHEKCBIJ-SFYZADRCSA-N	306.334	1.477	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1ccc(F)cc1F	788177722	ISSOHRRIBMNUQX-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
COc1cccc(NNC(=O)Nc2ccc(C(N)=O)c(C)c2)n1	780563214	QKICPFBXSWDRDQ-UHFFFAOYSA-N	315.333	1.646	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNc1ccc(C#N)cn1	899663389	DTBLHBDECHOYMR-GFCCVEGCSA-N	301.350	1.187	50	20	DDGD	
COCC1(C(=O)NN=c2sc3ccccc3n2C)CCC1	785783266	DFMDDBPERBKPBB-UHFFFAOYSA-N	305.403	1.988	50	20	DDGD	
CCC(=NNC(=O)c1ccc2c(c1)OCCO2)c1cn[nH]c1	788976135	UZQKZCGPMWMJQG-UHFFFAOYSA-N	300.318	1.725	50	20	DDGD	
COCC(=NNC(=O)Cc1csc(C)n1)C1CCOCC1	780197196	JCYPPLDCNCLBHE-UHFFFAOYSA-N	311.407	1.539	50	20	DDGD	
Cc1cc(NC(=O)NNc2ncncc2Cl)c(=O)n(C)c1	782056072	KLXBOECRCZNRNC-UHFFFAOYSA-N	308.729	1.286	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)c1cnnn1C	798982211	GEHIBCSIVZNJRO-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNC(=O)C(C)C)cc(C)c1Cl	799835160	WKEOGPJSTHXIMZ-UHFFFAOYSA-N	311.769	1.699	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)COc1ccc(C)c(C)c1	792797891	QGWZSBYKLFWCDC-BZNIZROVSA-N	322.405	1.891	50	20	DDGD	
C=C(CBr)COC(=O)C1(C(=O)NC2CC2)CCC1	795497799	SGCZBEQXTSVCQW-UHFFFAOYSA-N	316.195	1.930	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1c(F)ccc(OC)c1OC	798304974	GENKNKVFWUPDNX-UHFFFAOYSA-N	313.354	1.138	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NN=Cc1cn(C)cn1	794538265	PECPICJLQXOQLJ-JTQLQIEISA-N	306.753	1.991	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cccc3c2OCCO3)n1	794073128	YCZOMZIKIATAQO-UHFFFAOYSA-N	313.313	1.236	50	20	DDGD	
CCOCC(=O)NN=C(C)c1ccc(Br)cn1	794507317	IIMBTQAZCYBNQE-UHFFFAOYSA-N	300.156	1.721	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2ccc(C(C)(C)C)nn2)CCN1C	1319030771	YCEZMINXDHHXLA-RYUDHWBXSA-N	320.441	1.883	50	20	DDGD	
CC(C)(C)SCCNC(=O)NNc1nncc(N)c1Cl	1319219048	SEDVJIBUVBJMGN-UHFFFAOYSA-N	318.834	1.870	50	20	DDGD	
CN(C)c1cccc(Cl)c1C=NNC(=O)c1cnn(C)c1	1320343773	CNBSLBUGTJQNII-UHFFFAOYSA-N	305.769	1.903	50	20	DDGD	
N#Cc1cccc(NC(=O)C(=O)NNc2ccc(Cl)nn2)c1	1323736640	YNPZUVJJPIQUCG-UHFFFAOYSA-N	316.708	1.083	50	20	DDGD	
COc1cc(F)cc(NC(=O)C(=O)NNc2ccnc(F)c2)c1	1321667615	JEEHHJNEPWEUFU-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H](O)CN(C[C@H](CBr)C2CC2)C1	1331396242	MKRPENRANWQFOV-GRYCIOLGSA-N	320.227	1.263	50	20	DDGD	
COc1cc(C=NNC(=O)C[N+](C)(C)C)c2c(c1)C[C@@H](C)O2	1256371402	ZQTDFGGKMLMNEM-LLVKDONJSA-O	306.386	1.175	50	20	DDGD	
O=C1NCC(=NNC(=O)c2n[nH]c3c2CCCC3)c2ccccc21	1345228388	ZFGYBFFSFRDTGH-UHFFFAOYSA-N	323.356	1.166	50	20	DDGD	
CC(C)[C@@H]1CCN1C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1351190949	JQKOZQYKCZEKTR-OPQQBVKSSA-N	317.227	1.533	50	20	DDGD	
O=C(CCc1ocnc1C(=O)O)NNc1ncc(F)cc1F	1601296786	LQEKGKKDZHZLIV-UHFFFAOYSA-N	312.232	1.122	50	20	DDGD	
O=C(O)Cc1ccc(NC(=O)NNC(=O)c2ccncc2)cc1	1602125072	PAPGKTSJOVXYIG-UHFFFAOYSA-N	314.301	1.175	50	20	DDGD	
Cn1cnc2ccc(C(=O)NNc3ccccc3C(=O)O)nc21	1600993920	SEQVQEORPROOTR-UHFFFAOYSA-N	311.301	1.423	50	20	DDGD	
C[C@](C#N)(CC(=O)O)C(=O)NC[C@@]1(C)C[C@H]1Br	1602780562	IXYQIONOYJHBKH-AVPPRXQKSA-N	303.156	1.281	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)Nc1ccc2c(c1)COC2	1605821216	XKRVUVOBPZXSEJ-UHFFFAOYSA-N	314.301	1.959	50	20	DDGD	
O=C(NN=Cc1cc(C(=O)O)c2n1CCCC2)c1ccccn1	1601553219	YDSHAGRQNKABOL-UHFFFAOYSA-N	312.329	1.682	50	20	DDGD	
CC(C)OC(=O)/C(C#N)=C\c1cccc(F)c1-c1nn[nH]n1	1603340934	MZLICMXYOIDHQZ-POHAHGRESA-N	301.281	1.864	50	20	DDGD	
Cc1ccc(NNC(=O)Cc2cn(C)nc2Cl)cc1C(=O)O	1607810036	NMCNCLJNGBRANA-UHFFFAOYSA-N	322.752	1.766	50	20	DDGD	
Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)C(=O)O	1600761567	BFZAPKBOIOPRHT-UHFFFAOYSA-N	306.709	1.369	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)Cc2ccc(C(=O)O)cc2)CC1	1601057866	FHMKGDOOAKGEFB-UHFFFAOYSA-N	306.343	1.370	50	20	DDGD	
Cn1nc(C(=O)O)cc1NC(=O)/C(C#N)=C\c1ccc(F)cc1	1608144194	NZYVKRXHSSRAAC-POHAHGRESA-N	314.276	1.803	50	20	DDGD	
O=C(O)CNC(=O)NN=C1CCSc2ccc(Cl)cc21	1602071194	GGHFKUMHWKSXCW-UHFFFAOYSA-N	313.766	1.924	50	20	DDGD	
O=C(Cc1ccc(C(=O)O)nc1)NN=c1cc[nH]c2ccccc12	1601358912	VRPYRRINWDZSNJ-UHFFFAOYSA-N	322.324	1.436	50	20	DDGD	
Nc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccccc1C(=O)O	1610648518	WVMMVPQXSANFQG-UHFFFAOYSA-N	316.273	1.632	50	20	DDGD	
COCC[C@@H](C)CNC(=O)NNc1ccc(C(=O)O)cc1F	1610253277	UZRISTOXPJENKC-SECBINFHSA-N	313.329	1.823	50	20	DDGD	
N#CC1=CCN(C(=O)c2ccc3nnc(C(F)F)n3c2)CC1	1647141573	XMYWVWVUBAIOPA-UHFFFAOYSA-N	303.272	1.963	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1ccc(-c2cnn[nH]2)cc1	1578014598	FZHSEZQBASWSSU-UHFFFAOYSA-N	323.316	1.333	50	20	DDGD	
C[C@H](NC(=O)NNc1cc(Br)ccc1F)[C@@H](C)N	1576105336	PGXCDUOKWOTQHG-RQJHMYQMSA-N	319.178	1.950	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H]2[C@H]3CCNC[C@H]32)cc1	1575272785	NZGAKDGAGSSKPS-ZNMIVQPWSA-N	315.417	1.601	50	20	DDGD	
C[C@@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)c1ccccn1	1588999551	LRNCGGUGKDYPTM-SNVBAGLBSA-N	309.333	1.509	50	20	DDGD	
C#C[C@H](NC(=O)NNc1ccc(F)c(C(=O)O)c1)[C@H]1CCCO1	1588373414	FWIJQJJLDICXMJ-QWHCGFSZSA-N	321.308	1.331	50	20	DDGD	
O=C(c1cscn1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843363317	YCOJZVLBFHDNQY-SECBINFHSA-N	317.773	1.495	50	20	DDGD	
CC[C@H](C)[C@@H](N)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843362918	KKKNQITTZUDZPU-AXFHLTTASA-N	319.808	1.098	50	20	DDGD	
COc1ccc(NNC(=O)NCC2(C(=O)O)CCCC2)nc1	1599596959	CCCOWCDSDPARIP-UHFFFAOYSA-N	308.338	1.361	50	20	DDGD	
CC(C)(C)[C@H](O)C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1841313973	GKSZXKQFTPZUPK-ZJUUUORDSA-N	320.792	1.131	50	20	DDGD	
CO[C@@H](C(=O)NNc1ccc(C(=O)O)cc1F)c1cnn(C)c1	1599028678	QJULBKGPQQTVLK-GFCCVEGCSA-N	322.296	1.088	50	20	DDGD	
O=C(NCC(Cl)Cl)Nc1ccc(F)c(-c2nn[nH]n2)c1	1593008652	PXOKTPNWPTWDJR-UHFFFAOYSA-N	319.127	1.931	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@@H]1CCC=CO1	1593161511	YLIGUBLXSCGQJS-NSHDSACASA-N	320.740	1.656	50	20	DDGD	
CC[C@@H](NNC(=O)c1ccc(F)cc1Br)C(=O)O	1595306328	ZUSRAWOBLZRXQF-SECBINFHSA-N	319.130	1.686	50	20	DDGD	
O=C(O)CC[C@@H]1C[C@@H](C(=O)NNc2nc3ccccc3[nH]2)CO1	1595004299	JDWBHJPUCPRFGL-NXEZZACHSA-N	318.333	1.276	50	20	DDGD	
COc1cccc(NNC(=O)/C=C\c2cc(C(=O)O)co2)n1	1599679669	AEJJWLDKNHXZFL-WAYWQWQTSA-N	303.274	1.538	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCCCC(=O)O)cc1C	1594375842	QRGIEWRPOWIFAB-UHFFFAOYSA-N	322.361	1.475	50	20	DDGD	
Cn1ncc(Cl)c1C=NNC(=O)c1ccc(C(=O)O)cc1	1776100657	SYJQRHUZNFYSBI-UHFFFAOYSA-N	306.709	1.536	50	20	DDGD	
O=C(O)CCOc1ccc(C=NNC(=O)c2ccnnc2)cc1	1776081672	ZQYVGMBPELIWME-UHFFFAOYSA-N	314.301	1.094	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)C(F)F)CCO2)C1	1781213395	NYJQYUACBFGXSM-ZANVPECISA-N	324.755	1.099	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)c1cccs1	17581359	MOZBPRLVLFQCCD-UHFFFAOYSA-N	300.343	1.779	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2	17820235	XAFKPSZPWXGJCF-SECBINFHSA-N	321.402	1.926	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H](CO)CC(C)C)cc(C#N)n1C	161135302	CPXNNELEBONARO-HVJNQHDOSA-N	314.389	1.635	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)CC(=O)NNC(=O)c1ccccc1O	155505618	DJTSREZZNFFLRI-VIFPVBQESA-N	317.345	1.952	50	20	DDGD	
CSc1ccc(NC(=O)NNC(=O)CN(C)C)cc1Cl	156158157	QVUIOZVMMPKUJK-UHFFFAOYSA-N	316.814	1.776	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cccc(-n2ccnn2)c1	154111799	GQAUGTZKLCVIRA-UHFFFAOYSA-N	318.406	1.175	50	20	DDGD	
Cc1ccc(S(N)(=O)=O)c(C(=O)NNc2ccccc2F)c1	159424689	DKSNQWLGHQQGNZ-UHFFFAOYSA-N	323.349	1.538	50	20	DDGD	
O=S(=O)(CCCCCl)Nc1ccc(-n2cnnn2)cc1	228323665	AOXQMXFMTUWNEA-UHFFFAOYSA-N	315.786	1.423	50	20	DDGD	
COC(C)(C)CNC(=O)NNC(=O)c1cccc2ncccc12	173955910	NPUBKDAXBKNSGB-UHFFFAOYSA-N	316.361	1.604	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Nc1cccc(C#N)c1	56501776	JKYIZDDTCGHUHF-UHFFFAOYSA-N	324.340	1.962	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNc1nccnc1Cl	172286506	DQQAJVMOLCCKKP-UHFFFAOYSA-N	313.789	1.516	50	20	DDGD	
Cn1c(CNC(=O)NNC(=O)CC(C)(C)C)nc2ccccc21	170885827	HWKBKCGDGPTCJU-UHFFFAOYSA-N	317.393	1.840	50	20	DDGD	
O=C(/C=C/c1ccc2c(c1)OCO2)NNC(=O)NCC1CC1	65197838	OXXPGZRRSMZOEK-GQCTYLIASA-N	303.318	1.169	50	20	DDGD	
CCNC(=O)NNC(=O)CCc1c(C)nn(CC(C)C)c1C	65190635	LXESIJCKHAWJKE-UHFFFAOYSA-N	309.414	1.439	50	20	DDGD	
CCNC(=O)NNC(=O)c1csc(Cc2ccccc2)n1	68451513	PLVVUJJDAJZISD-UHFFFAOYSA-N	304.375	1.698	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Nc1ccnn1C(C)C	67454670	GGDUSMNEWHCALD-UHFFFAOYSA-N	317.349	1.939	50	20	DDGD	
CN(C)C(=O)Nc1cccc(C(=O)NNC(=O)C(C)(C)C)c1	118959164	GCQMBLDZEBWWRH-UHFFFAOYSA-N	306.366	1.587	50	20	DDGD	
Cc1cccc(C)c1NCC(=O)NNc1nnc(C)c(O)n1	22853194	WNJYWWXWZXZGBG-UHFFFAOYSA-N	302.338	1.058	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@@H]2C(=O)Nc3ccccc32)o1	176212049	FZQUUJHCBWXEBP-NSHDSACASA-N	313.313	1.475	50	20	DDGD	
NC(=O)c1ccc(NC(=O)NNc2cnc3ccccc3n2)cc1	67012794	AMXSYLSSTOWORA-UHFFFAOYSA-N	322.328	1.877	50	20	DDGD	
CCn1cc(Br)cc1C(=O)NNC(=O)N(C)C	171207526	YQCMEKPZORXYIF-UHFFFAOYSA-N	303.160	1.187	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CN(C)CC(C)C)cc1OC	65961921	QDHAMFQGUXIUKE-UHFFFAOYSA-N	323.393	1.053	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1OC	61231719	GUIMSCYNEVMGNR-UHFFFAOYSA-N	317.345	1.887	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@]2(C)CCCO2)cc1	126483939	MEVYPXXYVICFEA-INIZCTEOSA-N	305.378	1.762	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1C	124728156	ZFKRRVBOBDYDKL-QMMMGPOBSA-N	311.769	1.780	50	20	DDGD	
CCCNC(=O)CCC(=O)NNc1ccc2ccccc2n1	181140266	KVBDGOCEVWHWJL-UHFFFAOYSA-N	300.362	1.984	50	20	DDGD	
Cn1nnc2cc(C(=O)NNc3ccc(F)cc3F)cnc21	183420035	NQJLUQCQAKBVTJ-UHFFFAOYSA-N	304.260	1.398	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1ccnc2ccccc12	122834964	GLIURJYDZMYKKL-UHFFFAOYSA-N	310.313	1.972	50	20	DDGD	
CCc1cc(NC(=O)NNC(=O)c2ccc(C)cc2O)n(C)n1	185515205	XUSGRMFIXYRFLL-UHFFFAOYSA-N	317.349	1.463	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NC1CCCCC1	72576349	CVUAWBKWAQCHKT-UHFFFAOYSA-N	305.378	1.866	50	20	DDGD	
CC(C)Oc1cccc(CN(C)CC(=O)NNC(=O)C2CC2)c1	120537957	OPMKGMCNLASQCB-UHFFFAOYSA-N	319.405	1.463	50	20	DDGD	
CCO[C@H](C)C(=O)NNC(=O)c1cc(-c2ccc(C)cc2)n[nH]1	127102066	KRPGVKLILJBPTQ-LLVKDONJSA-N	316.361	1.571	50	20	DDGD	
Cc1c(NC(=O)C(=O)NNc2ccccc2)cccc1[N+](=O)[O-]	181275342	KKFCMYICWKGAPJ-UHFFFAOYSA-N	314.301	1.985	50	20	DDGD	
CS(=O)(=O)c1cccc(NC(=O)NNc2ccccn2)c1	180678633	UHEPJBSZJFPKPT-UHFFFAOYSA-N	306.347	1.634	50	20	DDGD	
C#CCOCCC(=O)NNC(=O)Cc1ccc2ccccc2c1	130488621	UFJVPOAILKNKFW-UHFFFAOYSA-N	310.353	1.570	50	20	DDGD	
CCn1cc(Br)cc1C(=O)NNc1cccnn1	77031645	WJIJHADTFYCRLT-UHFFFAOYSA-N	310.155	1.817	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccc(Cl)c(C(F)(F)F)c1	192918874	LJQZNZHHBTTYPQ-UHFFFAOYSA-N	324.686	1.891	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Nc1nccs1	42755566	JLNPDAJFARSQJG-MRVPVSSYSA-N	324.337	1.902	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc(CC(N)=O)cc1	194199376	FBGJLFDQPKWNQJ-ZROIWOOFSA-N	321.336	1.966	50	20	DDGD	
CN(C)c1ccnc(C(=O)NNc2cnc3ccccc3n2)c1	190754144	ABJUOMNXVHNXTA-UHFFFAOYSA-N	308.345	1.848	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NN=Cc1ccc(C(=O)O)cc1	254592584	HUEYVXNWVACQPM-UHFFFAOYSA-N	322.324	1.885	50	20	DDGD	
CNC(=O)NNC(=O)CCCCNC(=O)OCc1ccccc1	268441614	CYNJBYXUKHYLCY-UHFFFAOYSA-N	322.365	1.043	50	20	DDGD	
CC[C@@H]1CO[C@H](C)CN1CC(=O)NNC(=O)c1ccc(F)cc1	268537002	RWJXDSLBMZNXMP-BXUZGUMPSA-N	323.368	1.086	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNC(=O)COc1cccc(C)c1	265776121	IFWAFBLPWXWGSZ-LBPRGKRZSA-N	309.366	1.129	50	20	DDGD	
CN(Cc1ccon1)C(=O)NNC(=O)C(C)(C)c1ccccc1	265817575	XDZNUVRBBAGZHL-UHFFFAOYSA-N	316.361	1.825	50	20	DDGD	
CC(C)N(C)S(=O)(=O)NNC(=O)CCCc1ccccc1	267065698	PYDSABQJTDZWGO-UHFFFAOYSA-N	313.423	1.215	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2csc(NC3CC3)n2)o1	269367986	VZWPPYOFADTWGO-UHFFFAOYSA-N	306.347	1.694	50	20	DDGD	
CCN(CC)c1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)cc1	269428717	YLYGJHJEMTWRKE-HNNXBMFYSA-N	319.405	1.863	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)c2ccccc2O)CCCS1	268335221	NWMKLIVAAWTVDY-AWEZNQCLSA-N	309.391	1.622	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CC(C)(C)C)c(OC)c1OC	264010769	FVJDCGMYYUJCMQ-UHFFFAOYSA-N	324.377	1.910	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)CC(C)(C)OC	278882438	WKECFYAEFUDEMF-UHFFFAOYSA-N	314.769	1.925	50	20	DDGD	
Cn1cc(-c2cncc(C(=O)NNc3ncccc3F)c2)cn1	367655687	GQOHDBIFQSGGIL-UHFFFAOYSA-N	312.308	1.773	50	20	DDGD	
C=C(CBr)CN1CCC[C@H](CN2CCOCC2)C1	366742301	ICMRJOCQRRHDRB-CQSZACIVSA-N	317.271	1.982	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)c1ccc(Cl)nc1	279928593	NGMSKSJHXLYIEI-IUCAKERBSA-N	309.753	1.501	50	20	DDGD	
COc1cccc(NNC(=O)[C@H]2CCCCN2C(=O)C(C)C)n1	272516608	KHVOYQMATIOAQU-GFCCVEGCSA-N	320.393	1.570	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)[C@H]1CCCS1	270745823	YWBVKKAARIBHEG-LLVKDONJSA-N	312.416	1.527	50	20	DDGD	
Cc1cccnc1NNC(=O)c1ccc(N2CCOCC2)cc1	276669368	CYEDSKHKXONTRX-UHFFFAOYSA-N	312.373	1.984	50	20	DDGD	
CS[C@@H](C)CC(=O)NNC(=O)Cn1cnc2ccccc21	270156507	XCZKEQUOPNXXSU-JTQLQIEISA-N	306.391	1.325	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc1	377877517	DPRRCCKANNIERK-DUVNUKRYSA-N	318.373	1.336	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(C)c(C(=O)OC)c1	273470706	JODOIGQDOHIAIW-VIFPVBQESA-N	307.350	1.980	50	20	DDGD	
COc1cc(CC(=O)NNc2ccncc2)cc(OC)c1OC	272588191	ZQSDPNHTXDMYLY-UHFFFAOYSA-N	317.345	1.793	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)CC1(OC)CCC1	276988947	WIRGCOVZXGPTGW-UHFFFAOYSA-N	323.418	1.972	50	20	DDGD	
CC(C)(O)CC(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	281539437	KLERFOHPQNJXEO-UHFFFAOYSA-N	308.363	1.060	50	20	DDGD	
CC[C@]1(C(=O)NNC(=O)OC)CCN(C(=O)OC(C)(C)C)C1	370424723	ZJRPWNZXYPLRHO-AWEZNQCLSA-N	315.370	1.411	50	20	DDGD	
C[C@@H](CNC(=O)NNc1cccc(F)n1)CN1CCCCC1	286997093	KFWADEQEGAZPAG-LBPRGKRZSA-N	309.389	1.969	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CCC(=O)NNc1cccc(F)n1	286368172	DXWJGPMUIYATNM-UHFFFAOYSA-N	308.273	1.167	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNC(=O)c1c[nH]c2ccccc12	289306346	IUUNDGMPIIPRNM-SNVBAGLBSA-N	317.345	1.518	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)c1ccc2c(c1)OCCO2)C(C)C	281175503	YFNZJSRVZJNGOY-LBPRGKRZSA-N	317.345	1.060	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@](C)(O)CCc1ccccc1	282832538	OYYHWKOARNUFOO-INIZCTEOSA-N	308.378	1.926	50	20	DDGD	
Cc1c(/C=C/C(=O)NNc2nccnc2C2CCC2)cnn1C	286899724	GTUOHCLMCGRNLF-VOTSOKGWSA-N	312.377	1.943	50	20	DDGD	
COc1cccc2c(C(=O)NNC(=O)c3cccnc3)n[nH]c12	809545779	QGWQADKBUQIRLI-UHFFFAOYSA-N	311.301	1.041	50	20	DDGD	
C[C@@H]1CC(=O)N[C@H](C(=O)N/N=c2/sc3ccccc3n2C)C1	293127114	RJBPBSUFRQDMPQ-IQUNYNCLSA-N	318.402	1.086	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCCCO2)nc1	297267063	UDDXXIRBAMENEP-LLVKDONJSA-N	306.322	1.006	50	20	DDGD	
COCCN(C)NC(=O)[C@](C)(O)CSc1cccc(F)c1	297013667	HQZVWMMLJVEQIN-CQSZACIVSA-N	316.398	1.278	50	20	DDGD	
COc1ccc(C[C@@H](C)CNC(=O)NNc2ccncn2)cc1	296450066	KEOYLPRZURMTEN-GFCCVEGCSA-N	315.377	1.990	50	20	DDGD	
CC[C@H]1CCCC[C@H]1CNC(=O)NNC(=O)c1cnn(C)c1	297890973	RRGYWIXUBAFHNZ-RYUDHWBXSA-N	307.398	1.581	50	20	DDGD	
Cc1cc(C)cc(CCC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	294378048	WKCYHMPKGLGFBG-ZFWWWQNUSA-N	304.390	1.951	50	20	DDGD	
NC(=O)NNc1nc(-c2ccc(N3CCCC3=O)cc2)cs1	800721239	OUNLLSAPDQFONP-UHFFFAOYSA-N	317.374	1.932	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCCc1nc[nH]n1	807988517	FEWBMWKTGMRRER-UHFFFAOYSA-N	310.789	1.219	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)Cc1ccc(F)cn1	806805676	CRYYHVFJDSKQFR-UHFFFAOYSA-N	317.320	1.249	50	20	DDGD	
O=C(NCCCc1ccccc1F)NNC(=O)[C@H]1CCCCO1	297094527	XPUNQFSUFSPLFX-CQSZACIVSA-N	323.368	1.658	50	20	DDGD	
O=C(CN1CCc2ccccc21)NNC(=O)NC1CCCC1	299401835	XSICAPKUSWREIP-UHFFFAOYSA-N	302.378	1.322	50	20	DDGD	
CCCC(=O)N1CCC[C@@H]1C(=O)NNc1ncc(F)cc1F	296865691	GSEXERMIYKDAMZ-LLVKDONJSA-N	312.320	1.594	50	20	DDGD	
C[C@H]1C(=O)CC[C@H](C(=O)NNC(=O)N=c2cc[nH]cc2)C1(C)C	802027525	KOPSKGLMYZQOFP-CMPLNLGQSA-N	318.377	1.298	50	20	DDGD	
CCC[C@@H](CNC(=O)NNC(=O)c1c[nH]c2ccccc12)OC	296988227	UFUNGPQHEPZVJG-NSHDSACASA-N	318.377	1.927	50	20	DDGD	
O=C(NCc1ccccn1)NNc1ccc2c(=O)[nH]ccc2c1	806274902	PUUATSOGOVLGAO-UHFFFAOYSA-N	309.329	1.749	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H]1CCN(Cc2ccccc2)C1=O	299350178	AJNJCUBIERPVRQ-ATGUSINASA-N	313.357	1.348	50	20	DDGD	
C[C@@H](C(=O)NNc1cccnn1)[C@@H]1OCCc2sccc21	293509636	PLXQSDSUWRYYRH-RNCFNFMXSA-N	304.375	1.931	50	20	DDGD	
CCOc1cc(F)ccc1NC(=O)NNC(=O)[C@@H]1CCCO1	292607087	KDSMFWSBFGLJLM-NSHDSACASA-N	311.313	1.556	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1cc2c(cc1[N+](=O)[O-])OCO2	804771099	GRWMWDMBRNQKNO-UHFFFAOYSA-N	320.236	1.615	50	20	DDGD	
CCc1c(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)ccn1C	811276039	RWYOXQHHKIEZAI-NSHDSACASA-N	323.393	1.326	50	20	DDGD	
CC(=O)NNC(=O)c1sc(COc2ccc(F)cc2)nc1C	817992427	VUOSSGPGPPCWSA-UHFFFAOYSA-N	323.349	1.951	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)CCN1CCCCCC1	811634947	HFSXBIKAAGAMJS-CQSZACIVSA-N	308.426	1.413	50	20	DDGD	
O=C(NCCOc1cccnc1)NNc1cccc(Cl)n1	814299856	CTWDLQPDTLGCLV-UHFFFAOYSA-N	307.741	1.835	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1conc1Cc1ccccc1	814900979	QWBYLFMMEKCNIM-UHFFFAOYSA-N	316.317	1.072	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)CCc1ccc(OC)cc1	812480916	UCEDRPKIJDGPHY-QWHCGFSZSA-N	322.405	1.694	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccoc1	814964861	CHGBQVSBJCMFOK-UHFFFAOYSA-N	322.346	1.473	50	20	DDGD	
CC(=O)N/C(=C\c1cccs1)C(=O)NNC(=O)C1CCC1	817534189	PWPBYVLHMGPGKX-WQLSENKSSA-N	307.375	1.173	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1cnn(C)c1Cl	814812579	CTYJKHOBVQMUDL-UHFFFAOYSA-N	306.753	1.775	50	20	DDGD	
O=C(COc1ccccc1F)NN=Cc1cc(CO)ccc1O	814722463	ARPZTDMSCPEEPD-UHFFFAOYSA-N	318.304	1.553	50	20	DDGD	
Cc1cc(C)n([C@@H](C)CC(=O)NNC(=O)Cc2cccnc2)n1	728851541	JLCJAGLJFCUQJG-ZDUSSCGKSA-N	315.377	1.236	50	20	DDGD	
CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NNC(=O)c1ccnnc1	817694222	VEVNYBLTBRHLTM-UBHSHLNASA-N	320.393	1.612	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C)[C@@H](C)Cc1ccc(O)cc1	828072516	CMZXYMBJOKALHS-LBPRGKRZSA-N	307.394	1.058	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)[C@@H]1CCC=CO1	820171369	NYYXLEDKHIMFDI-NSHDSACASA-N	311.432	1.479	50	20	DDGD	
CCCN1CCC[C@H]1CNC(=O)NNC(=O)OC(C)(C)C	496313911	SDLXIPNGXFWBKR-NSHDSACASA-N	300.403	1.600	50	20	DDGD	
CC1(CC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)CC1	496477597	SXFGFLBEPUMMRT-UHFFFAOYSA-N	313.398	1.629	50	20	DDGD	
Cc1nnc(NNC(=O)c2cc3ccccc3n2CC#N)nc1O	729516163	KJDYASAADKOBES-UHFFFAOYSA-N	323.316	1.121	50	20	DDGD	
C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CCC(C(C)(C)C)CC1	728437189	MRXQWQBALBJEMO-NFJWQWPMSA-N	317.455	1.633	50	20	DDGD	
O=C(NCc1ccc2c(c1)CCO2)NNc1cncc(Cl)n1	726273207	ZEOLUAFFBPWYQW-UHFFFAOYSA-N	319.752	1.891	50	20	DDGD	
CCN(CCO)NC(=O)CCC(=O)c1c(F)cccc1F	823898044	QBFBFGNWSSHMAU-UHFFFAOYSA-N	300.305	1.273	50	20	DDGD	
CC(C)(C)[C@H](O)C(=O)NNC(=S)NCCc1cccs1	820168612	FKIPXYJEKASFIA-SNVBAGLBSA-N	315.464	1.193	50	20	DDGD	
CCCN(NC(=O)C[C@H]1CCC(=O)NC1)C(=O)OC(C)(C)C	495924550	BZXSLXIENCRISC-LLVKDONJSA-N	313.398	1.581	50	20	DDGD	
CCOC(=O)NNC(=O)c1cnn(-c2ccccc2)c1COC	495330222	DTSRLEQRALIKRW-UHFFFAOYSA-N	318.333	1.410	50	20	DDGD	
COc1cc(C=NNC(=O)Cc2nc(C)cs2)ccc1O	725856048	KAEZLKCOASMBFM-UHFFFAOYSA-N	305.359	1.859	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccccc1	826114077	IQQIIAXYOXVYHS-XBFCOCLRSA-N	321.377	1.130	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCC[C@H](O)c1ccccc1	823810106	HPOKQAQNSZXJJO-AWEZNQCLSA-N	323.393	1.257	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CCCCN2C)c1C	824491460	ZUGZBZVETRAZFK-AWEZNQCLSA-N	305.378	1.709	50	20	DDGD	
CCOC(=O)NN=Cc1c(C)nn(CC(=O)OC(C)C)c1C	494102097	KOTBPAZXBMELCB-UHFFFAOYSA-N	310.354	1.532	50	20	DDGD	
O=C(C[C@@H](c1ccccc1)N1CCOC1=O)NNC(=O)C1CC1	728266804	ZUXCKZWZUIOWLK-ZDUSSCGKSA-N	317.345	1.127	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccccc1S(=O)(=O)C(C)C	491565989	BOENCRDXQBLFKT-UHFFFAOYSA-N	315.351	1.261	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)cc1	908054658	YORNKBDBEUIDPM-FPMFFAJLSA-N	316.361	1.130	50	20	DDGD	
COCCN(C)NC(=O)[C@H](O)c1ccc(C(F)(F)F)cc1	822843307	LICDSQKDCWMKID-LLVKDONJSA-N	306.284	1.348	50	20	DDGD	
CNC(=O)[C@@H]1CCCN(C(=O)[C@]2(C)C[C@H]2Br)C1	906645726	YLZWYHAUYVBLIA-KBVBSXBZSA-N	303.200	1.145	50	20	DDGD	
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CC(C)(C)C	493732291	AEIKLJXMNNOYNJ-JTQLQIEISA-N	315.414	1.873	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccccc1C(F)F	496172135	MUNMSTVWQDJNSO-UHFFFAOYSA-N	301.249	1.340	50	20	DDGD	
CS[C@H]1CCC[C@@H](NC(=O)NNC(=O)CC(F)(F)F)C1	735385185	WNINKZGVMLGMDH-SFYZADRCSA-N	313.345	1.943	50	20	DDGD	
C[C@@H]1OC(=O)N[C@@H]1C(=O)NNc1cc(Cl)cc(Cl)c1	496048167	WUSDIAHFKDCKEG-CDUCUWFYSA-N	304.133	1.933	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=C1C[C@@H](C)N(C)C1	496046023	TZFYCOAWPBXUEM-DGCLKSJQSA-N	322.409	1.099	50	20	DDGD	
Cc1ccc([C@@H]2C[C@H]2NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	827258622	BSIVLWOEIAPBKV-CYUUQNCZSA-N	317.389	1.606	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@H]2C(=O)O)c2ccccc2n1	738331885	AFMGQVWVZBBRMS-VXGBXAGGSA-N	313.313	1.025	50	20	DDGD	
COCCC1(CNC(=O)/C(C#N)=C/c2cnn(C)c2)CCC1	491127461	BGBHRFGBFKPGRN-RIYZIHGNSA-N	302.378	1.650	50	20	DDGD	
CN(C)[C@H](CNC(=O)/C(C#N)=C/c1cnn(C)c1)c1ccccc1	491049554	NDEMFEDWVADBQR-JDZKTDJGSA-N	323.400	1.746	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCc1ccc(F)cc1Cl	733659211	WIFIOXYWNSXYKJ-UHFFFAOYSA-N	317.748	1.389	50	20	DDGD	
O=CN1CCC[C@@H]1C(=O)NNc1cccc(Br)c1	830767121	WCQIQNFLAVIIKE-LLVKDONJSA-N	312.167	1.513	50	20	DDGD	
C=CCOc1cccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	831352722	ZVGWARYRFAVWCC-RISCZKNCSA-N	319.361	1.829	50	20	DDGD	
CCN1CCC[C@@H](CNC(=O)/C(C#N)=C/c2cnn(C)c2)C1	491132296	NJOPGXRCNUWKFV-FEZXJWFHSA-N	301.394	1.175	50	20	DDGD	
CCOC(=O)C1(CNC(=O)[C@]2(C)C[C@H]2Br)CC1	907450638	LSRJTGQQJIABDQ-LDYMZIIASA-N	304.184	1.619	50	20	DDGD	
CCOC(=O)c1ccc(CNC(=O)NNc2cccnn2)cc1	737037813	MVNMQNIPFJZKRZ-UHFFFAOYSA-N	315.333	1.480	50	20	DDGD	
CC[C@@H](C(=O)NN=c1cc[nH]cc1)N(C)C(=O)OC(C)(C)C	831868167	QLQIZLJHKBRNEC-LBPRGKRZSA-N	308.382	1.592	50	20	DDGD	
CC(C)C[C@@H](C(=O)NNC(=O)c1ncon1)c1ccccc1	832826276	VHJCUIAGZAAIJV-GFCCVEGCSA-N	302.334	1.661	50	20	DDGD	
COc1ccccc1NCC(=O)NN=Cc1ccc(CO)o1	739400148	MYSDSQISITVBDT-UHFFFAOYSA-N	303.318	1.343	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ncoc2C(C)C)n1	732051743	DCABUCWZKGXRQY-UHFFFAOYSA-N	305.338	1.073	50	20	DDGD	
COC(=O)c1cc(OC(=O)c2ccccn2)ccc1[N+](=O)[O-]	732653463	VBIVYFZDBUBMLG-UHFFFAOYSA-N	302.242	1.996	50	20	DDGD	
COc1cccc2c1CN(C(=O)/C(C#N)=C\c1cnn(C)c1)CC2	836926861	YGUQDWDFPLJLFV-NVNXTCNLSA-N	322.368	1.921	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCCO1)c1cccc(-n2ccnn2)c1	834986395	NJRYWPIEVAFJRC-OAHLLOKOSA-N	313.361	1.677	50	20	DDGD	
CC[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1c[nH]nc1C	732766980	PNCHSVFFKRARLO-ZDUSSCGKSA-N	300.362	1.748	50	20	DDGD	
CC(C)N(C)C[C@H](C)NC(=O)NNc1ncc(F)cc1F	838595060	OHSGTBDBZYTBEY-VIFPVBQESA-N	301.341	1.715	50	20	DDGD	
Cc1ccc(C)c(C(=O)NNC(=O)COc2ccccc2O)c1	730777851	FRYGCYOKUSFBIK-UHFFFAOYSA-N	314.341	1.849	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CC[C@H](OC)[C@@H](C)C1	836291623	FZIYFTAUJAAJCL-AAEUAGOBSA-N	321.377	1.406	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)[C@@H]1CCCCO1)c1cccnc1	833236516	RZWHZSVWGYGRLX-UONOGXRCSA-N	305.378	1.538	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cccc2c1ccn2C	831416994	OWMOCPPVWQXIRN-MNOVXSKESA-N	316.361	1.756	50	20	DDGD	
CCC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)C1CCCC1	834944902	ZFFXIOVORPZPMD-NSHDSACASA-N	301.412	1.429	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNc1ccc(C(=O)OC)cc1F	838485246	JMBIOJRSARYJDA-JTQLQIEISA-N	313.329	1.663	50	20	DDGD	
Cc1nc(NC(=O)NNC(=O)C(C)C)ccc1-c1cnn(C)c1	836704988	KOWHEZNHSZDQAN-UHFFFAOYSA-N	316.365	1.599	50	20	DDGD	
Cc1ncc(C=NNC(=O)COc2ccc(C#N)cc2)s1	917533129	CUHLTRLMJLNVAN-UHFFFAOYSA-N	300.343	1.852	50	20	DDGD	
O=C(NN=Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)C1CC1	839386130	HVESBPSYUUIQJY-UHFFFAOYSA-N	312.329	1.708	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1cc[n+]([O-])cc1	748717965	KQAATXXPGABVMC-UHFFFAOYSA-N	308.681	1.639	50	20	DDGD	
CC(=NNC(=O)c1ccccc1O)c1cccc(-n2cnnn2)c1	916270136	RIRKLNQFKKHQIX-UHFFFAOYSA-N	322.328	1.522	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)Cc2ccc(F)cc2)CCN1C	745855200	SIYRNPBAFFXBRP-SMDDNHRTSA-N	322.384	1.181	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(Cl)c(F)c1)C1CCC1	844653082	DRJIMQSCLIVKEK-UHFFFAOYSA-N	306.746	1.589	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CCCN)nn1-c1ccccc1	841171642	VIEFEJKGXQGJDL-UHFFFAOYSA-N	316.365	1.072	50	20	DDGD	
COc1cccc(OCCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	843663839	ZTRBUTOMNLBBBT-SMDDNHRTSA-N	322.361	1.037	50	20	DDGD	
Cn1c(NNC(=O)[C@H](NC(N)=O)C(C)(C)C)nc2ccccc21	848380606	KZGQTXOTKSZHPB-NSHDSACASA-N	318.381	1.099	50	20	DDGD	
COCCOCC(C)=NNC(=O)Nc1ccc(N(C)C)cc1	741765466	ZZDLAQFSRGLQJQ-UHFFFAOYSA-N	308.382	1.913	50	20	DDGD	
CCCCOc1ccc(C=NNC(=O)CN2CCCC2=O)cc1	916359106	JULDUVYLQLXATR-UHFFFAOYSA-N	317.389	1.938	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)[C@@H](C)CN2CCOCC2)C12CCC2	741162719	BYSWKCFDTSMJKG-ZFWWWQNUSA-N	323.437	1.406	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)COc1ccccc1C#N	749758961	VJALRPFRPZVJNO-SNVBAGLBSA-N	306.391	1.231	50	20	DDGD	
CO[C@](C)(C1CC1)[C@H](C)NC(=O)NNC(=O)[C@H]1CCCCO1	840423856	KJUCDUURXBMIIO-NVBFEUDRSA-N	313.398	1.090	50	20	DDGD	
COc1ccnc(C=NNC(=O)COc2cc(C)ccc2C)n1	842522707	SOHMYZNHYJRAIW-UHFFFAOYSA-N	314.345	1.631	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@@H]1CCC(=O)C1	843759923	ZMVNGGSCHZZBFF-MRVPVSSYSA-N	310.737	1.479	50	20	DDGD	
Cc1cc(C=NNC(=O)Cn2nnc(-c3ccccc3)n2)c(C)[nH]1	917565240	KLHMHAMFOCFTSE-UHFFFAOYSA-N	323.360	1.435	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1ccc([N+](=O)[O-])cc1	916363600	WDOVZTWIPABJFP-LBPRGKRZSA-N	320.349	1.013	50	20	DDGD	
COC(=O)c1csc(C(C)=NNC(=O)[C@@H]2CCO[C@H]2C)c1	842557991	FLPMWKFPCFKSSX-GXSJLCMTSA-N	310.375	1.800	50	20	DDGD	
CN(C)c1ccc(CNC(=O)NNC(=O)C2CCCC2)cn1	916442298	XKLZPYJJYKAEEB-UHFFFAOYSA-N	305.382	1.168	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CCCc1ccccc1)c1cnn(C)c1	749970546	BSCPPKIRQYHMQJ-ZDUSSCGKSA-N	314.389	1.694	50	20	DDGD	
O=C(NN=Cc1ccc(CSC(F)F)o1)C(=O)NC1CC1	744827392	GUTOGHXROILNPW-UHFFFAOYSA-N	317.317	1.464	50	20	DDGD	
O=C(C[C@H]1CCCOC1)NNc1ncc(Br)cn1	848321877	HMFKDNHUPOGXRF-MRVPVSSYSA-N	315.171	1.499	50	20	DDGD	
O=C(CCn1cc(Cl)cn1)NNc1ccc([N+](=O)[O-])cc1	747988349	XEXAODKGMFNRBO-UHFFFAOYSA-N	309.713	1.978	50	20	DDGD	
NC1(CNC(=O)NNC(=O)Cc2ccccc2F)CCCCC1	841922767	QTLRYKDLIZBQQC-UHFFFAOYSA-N	322.384	1.360	50	20	DDGD	
O=C(NNC(=O)c1cc2ccccc2o1)N[C@@H]1CCCNCC1	841977556	MYEIIRWMLUUGQT-GFCCVEGCSA-N	316.361	1.519	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)Cc2ccccc2F)CS1	840417306	HUQYFQKXGADXAC-GXSJLCMTSA-N	311.382	1.593	50	20	DDGD	
COC/C(C)=C\C(=O)NNC(=O)COc1cc(C)ccc1C	845079463	MJFILDOZCNNIME-WQLSENKSSA-N	306.362	1.422	50	20	DDGD	
CC[C@H](C)N1CCN(S(=O)(=O)CC(C)(C)CCl)CC1	867360291	HGFQTARLIODUID-LBPRGKRZSA-N	310.891	1.997	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)[C@H]1CCc2ncncc2C1	843848843	IRNLTOYNXBETCQ-VIFPVBQESA-N	303.753	1.773	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@H](CC(C)C)OC)n1	842234844	HVZNDJXGIQKIAY-LBPRGKRZSA-N	309.414	1.827	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1ccnc(N2CCCC2)n1	848081901	QCQNRUAADWITIK-UHFFFAOYSA-N	303.193	1.953	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC2CCC(N)CC2)cc1	841945525	PXBNDQJGLQYEEH-UHFFFAOYSA-N	304.394	1.463	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1ccc(N(C)C)cc1	748253117	KIHRLPSLZLWVLB-CYBMUJFWSA-N	307.394	1.644	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCN(C2CCCCC2)C1	843979057	MBYGJCKGFHURBH-GZBFAFLISA-N	323.437	1.213	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(O[C@H](C)C#N)cc1	748260456	UANYGZPBUUBOLJ-CHWSQXEVSA-N	319.361	1.479	50	20	DDGD	
Cc1nn(-c2ccccc2F)cc1C=NNC(=O)C(C)(C)O	848409195	PCNGKYRFNRLRSR-UHFFFAOYSA-N	304.325	1.541	50	20	DDGD	
CCOC(=O)NNC(=O)c1cnnn1-c1ccccc1Cl	745485101	IYECRVQFQXOAMV-UHFFFAOYSA-N	309.713	1.312	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@@H]1CCO[C@H]1c1ccncc1	846140404	QJHAYAAEXOORMI-RISCZKNCSA-N	302.309	1.837	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)CCCN)cccc1C(F)(F)F	841147199	ZXRVAKQJOLONCF-UHFFFAOYSA-N	318.299	1.905	50	20	DDGD	
CO[C@@H](C=NNC(=O)CCc1ccccc1O)[C@@H]1CCOC1	841623209	GJPLUOFGYXWZLK-HIFRSBDPSA-N	306.362	1.478	50	20	DDGD	
CCC/C=C\C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12	920418245	BASUQTMKSYOBBX-YHYXMXQVSA-N	314.345	1.051	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)c2ccnc(N(C)C)c2)[C@H]1OC	841623650	OIMJHTOHOYOHBV-TZMCWYRMSA-N	306.366	1.057	50	20	DDGD	
C[C@]1(CN=c2nn[nH]n2-c2ccccc2)C[C@H]1Br	856787236	WYZWJTUXLBKSHA-ZYHUDNBSSA-N	308.183	1.670	50	20	DDGD	
O=C(NN=Cc1ccc(C(F)F)cc1)[C@@H]1CN2CCC[C@@H]2CO1	853390326	TYDKIWPBHNAFLS-KGLIPLIRSA-N	323.343	1.938	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cccc(C(N)=O)n2)cc1Cl	753297072	HOHJFDXBPANATH-UHFFFAOYSA-N	315.720	1.462	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)CC(F)(F)F)c1ccc(Cl)cc1	855000089	BHCXRNKTWBMNHB-LLVKDONJSA-N	324.686	1.647	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=Cc1ccnn1CC	753689029	JSPIBXIKVPGLPO-UHFFFAOYSA-N	316.361	1.831	50	20	DDGD	
N#Cc1ccccc1C=NNC(=O)c1ccc(-n2cnnn2)cc1	755568359	ADPKRQWHPLPQAT-UHFFFAOYSA-N	317.312	1.298	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCNC1(C(N)=O)CCOCC1	852493580	QKKOKXJQKGVOEE-UHFFFAOYSA-N	302.491	1.632	50	20	DDGD	
CO[C@H](C)CNC(=O)NNC(=O)c1ccc2ccccc2c1	851963247	JEIAPEYSHYRZPH-LLVKDONJSA-N	301.346	1.819	50	20	DDGD	
C#C[C@H](CC)NC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	854068940	OAVHIWJKHZCQRG-GHMZBOCLSA-N	307.325	1.335	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCc2cnnn2CC)cc1	858649325	RQEPKXNVHZHSIS-UHFFFAOYSA-N	316.365	1.005	50	20	DDGD	
CC(C)(C)n1cc(NC(=O)NNC(=O)CC(F)(F)F)cn1	756796966	SMCMVIJQRLBTCK-UHFFFAOYSA-N	307.276	1.743	50	20	DDGD	
CC(C)(C)OC(=O)Cn1cccc1C=NNC(=O)c1cc[nH]n1	853391532	QFEVWMNXCRYYLM-UHFFFAOYSA-N	317.349	1.317	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@H]2COC[C@@H]2C)cc1F	926020388	SYGITGQBDCMJHL-UFBFGSQYSA-N	311.313	1.273	50	20	DDGD	
CN(C)C(=O)c1ccc(CNC[C@]2(C)C[C@H]2Br)[nH]1	856806983	JTJQFXWNVBCTAI-YPMHNXCESA-N	314.227	1.980	50	20	DDGD	
O=C(NN=Cc1ccc(O[C@@H]2CCOC2)cc1)N1CCOCC1	853296632	ICENGCLRIQBYRE-OAHLLOKOSA-N	319.361	1.230	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2ccc(Br)cc2)co1	759976563	SLUYUDGRPIVLHN-UHFFFAOYSA-N	324.134	1.898	50	20	DDGD	
O=C(CC1CC(F)(F)C1)NNC(=O)c1cccc(Cl)n1	857325305	VYZKEKFYBZAWPX-UHFFFAOYSA-N	303.696	1.931	50	20	DDGD	
N#Cc1ccccc1C=NNC(=O)COc1ccccc1[N+](=O)[O-]	755540790	QUUHMDYUBMQUKW-UHFFFAOYSA-N	324.296	1.996	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc(C(C)=O)cc1	854279946	HTRINBANABBAAB-UHFFFAOYSA-N	323.418	1.377	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2(O)CCSCC2)c1C	855625314	DCUUPOFPMNQNQI-UHFFFAOYSA-N	324.402	1.483	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc2c(c1)C(=O)CCC2	756884330	VHXBOXDEKXOTIA-UHFFFAOYSA-N	305.334	1.395	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)c2cccnc2)C[C@H]1Br	856754613	KXPYUDXHOTUIRQ-ZJUUUORDSA-N	305.197	1.533	50	20	DDGD	
COC(=O)Nc1cccc(NCc2ccccc2B(O)O)c1	864019947	DXFXFCLWZDVVLW-UHFFFAOYSA-N	300.123	1.157	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCSC[C@@H]1C(C)(C)C	931597004	PFXOEMHUBQRMTL-LLVKDONJSA-N	315.483	1.643	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(Cl)ccc2O)nc1	760784695	GCXOQDWUMMZKER-UHFFFAOYSA-N	321.720	1.984	50	20	DDGD	
O=[N+]([O-])c1ccc(COc2ccc(B(O)O)cc2)c(Cl)c1	864048425	WUEQWUCIFGZZEK-UHFFFAOYSA-N	307.498	1.507	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)COc2ccc(F)cc2)c1C	864493130	VWVFTFMIRSRSEX-UHFFFAOYSA-N	320.324	1.191	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N[C@@H](c1ccccn1)C1CC1	932382278	QSICDJHMBBMATP-BLLLJJGKSA-N	318.421	1.704	50	20	DDGD	
CCOCCOCCN(C)S(=O)(=O)CC(C)(C)CCl	867166189	PLSURXLEPCBWTB-UHFFFAOYSA-N	315.863	1.566	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)OCCN1CCOC1=O	766747883	AERNBDXZUQTZQV-QMMMGPOBSA-N	308.172	1.791	50	20	DDGD	
Cc1c(NNC(=O)NCCC2(C)OCCO2)cccc1[N+](=O)[O-]	760156095	KJBRIRWELDNMCF-UHFFFAOYSA-N	324.337	1.682	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)OCC(=O)N1CCCC1=O	766747794	SMTFRUFCAZXWEW-JTQLQIEISA-N	320.183	1.488	50	20	DDGD	
CC[S@](=O)c1ccccc1C(=O)NNc1ncc(F)cn1	760907756	YEXCWUBOUGGVMW-NRFANRHFSA-N	308.338	1.500	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H]2CCn3cncc3C2)n1	764370111	CMHBVQYLEOYRSA-VIFPVBQESA-N	306.757	1.341	50	20	DDGD	
COC(=O)[C@H](C)CNS(=O)(=O)c1ccc(CCCl)cc1	769906544	RUCHCEIEDDQMJO-SNVBAGLBSA-N	319.810	1.555	50	20	DDGD	
O=C(NNc1ccccc1)N[C@H]1CCCC[C@@H]1N1CCOCC1	764377782	ZIGXVWZATLXAPT-HOTGVXAUSA-N	318.421	1.956	50	20	DDGD	
CO[C@@]1(CNC(=O)NNc2ccc(Cl)c(F)c2)CCOC1	764802599	AOBFZMSGHROYAS-CYBMUJFWSA-N	317.748	1.911	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NN=c1cc[nH]cc1	860675563	CSKRPHJYBXEPGM-LLVKDONJSA-N	308.382	1.592	50	20	DDGD	
C[C@H](CC(=O)NN[C@H](C)C(F)(F)F)NC(=O)C1CCCC1	862313036	WVPOTOHKLFVFHG-RKDXNWHRSA-N	309.332	1.643	50	20	DDGD	
Cc1ccc(C=NNC(=O)C(=O)NC2CC2)cc1Br	767900210	SNYFIIZUHOLXBY-UHFFFAOYSA-N	324.178	1.486	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)N1	862457622	MOZLAIRRQFTCAG-FDYHWXHSSA-N	307.394	1.019	50	20	DDGD	
CN1C(=O)Cc2cc(OS(=O)(=O)CCCCCl)ccc21	767622668	HYVURGOSLZXIGP-UHFFFAOYSA-N	317.794	1.933	50	20	DDGD	
CC(=O)NNC(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1	1117778384	TUADYDCUECFELU-UHFFFAOYSA-N	301.224	1.847	50	20	DDGD	
Cc1cn2ccnc(C(=O)NNC(=O)c3ccccc3F)c2n1	761408508	ZYVUUDHHJCKCTN-UHFFFAOYSA-N	313.292	1.252	50	20	DDGD	
O=C(Cc1c[nH]c2cnccc12)NNC(=O)c1ccccc1O	1117743181	NUXHYDGGVBOQSX-UHFFFAOYSA-N	310.313	1.272	50	20	DDGD	
CC(C)O[C@@H]1CC(=NNC(=O)Cc2cc(O)nc(O)n2)C1(C)C	764908255	AAYRARUZYQAKCN-LLVKDONJSA-N	322.365	1.126	50	20	DDGD	
CCOC(=O)C1CCC(NC(=O)NN=c2cc[nH]c(C)c2)CC1	875163922	ZMNPOZNYSGYQEM-UHFFFAOYSA-N	320.393	1.560	50	20	DDGD	
COCC(=O)NC1CCN(C[C@H](C)CBr)CC1	770647576	HWWKMQDNHKWIEY-SNVBAGLBSA-N	307.232	1.244	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNC(=S)Nc1ccccn1	770858230	QWUJLLGWGFRMBF-UHFFFAOYSA-N	304.379	1.009	50	20	DDGD	
NC(=O)c1ccc(NC(=O)NNc2ncc(F)cn2)c(F)c1	775649608	JTVCDBHIMQHHBM-UHFFFAOYSA-N	308.248	1.002	50	20	DDGD	
CCN1CCOC[C@@H]1C(=O)NNC(=S)Nc1cccc(C)c1	873775390	DSYPBPKZRJZWIZ-CYBMUJFWSA-N	322.434	1.033	50	20	DDGD	
Cc1cccc(NNC(=O)NCc2cccc(N(C)C)n2)n1	875423846	FBTIUVAUEYBWQJ-UHFFFAOYSA-N	300.366	1.677	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)CC1OCCCO1	773618937	DYKLAZWTHWDWNK-UHFFFAOYSA-N	312.297	1.209	50	20	DDGD	
COc1cccc(OC)c1C(=O)NNc1nncc(N)c1Cl	1116402688	LSUGPYZOWUELBJ-UHFFFAOYSA-N	323.740	1.486	50	20	DDGD	
NC[C@]1(C(=O)NNc2ccccc2C(F)(F)F)CCCOC1	876598620	OYUKHUUSXWHCHH-CYBMUJFWSA-N	317.311	1.904	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C2CCOCC2)c(C)c1	878566261	XBFMAFWRHQWESH-UHFFFAOYSA-N	307.350	1.583	50	20	DDGD	
N#Cc1c[nH]nc1NS(=O)(=O)c1ccc(CCCl)cc1	773375085	JJTMSSBVJKLKAD-UHFFFAOYSA-N	310.766	1.863	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)Cc1ccccc1CO	779754074	KJMQIAZFFQBBLZ-UHFFFAOYSA-N	312.369	1.502	50	20	DDGD	
CS[C@H](C)CCC(=O)NNC(=O)Cn1cnc2ccccc21	773180292	NFXZBOFXGADKSA-LLVKDONJSA-N	320.418	1.715	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(C(=O)NC(C)C)cc1C	878400777	HEWRKGUEYXFEGX-UHFFFAOYSA-N	322.365	1.868	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NNc1ncncc1Cl	879662014	ODYYIQNZTBPYAN-HQJQHLMTSA-N	306.757	1.662	50	20	DDGD	
COc1nc(C)ccc1C(=O)NNc1cc(Cl)nc(C)n1	777523752	NXYCTMKARNGMKR-UHFFFAOYSA-N	307.741	1.907	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2ccccn2)cc([N+](=O)[O-])c1	777471587	PUZWXOLYQMWCQB-UHFFFAOYSA-N	316.273	1.533	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc(C(C)C)c1N	772043018	PTJUMHPHOYPDIT-SNVBAGLBSA-N	321.377	1.495	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1nc2ccccc2s1)[C@@H](C)O	881466798	ARVNPAREYLUXHF-BDAKNGLRSA-N	307.375	1.464	50	20	DDGD	
O=S(=O)(CCCCl)NCC1(N2CCCC2)CCOCC1	881863934	JBXKNSBMIVCPDK-UHFFFAOYSA-N	324.874	1.180	50	20	DDGD	
CCC(CC)n1nc(C(=O)NNc2nnc(C)c(O)n2)cc1C	776454113	VTZUUCQAQTZIIY-UHFFFAOYSA-N	319.369	1.509	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(C)C(C2CC2)C2CC2)c1	777567429	VNNQRFDGDSFNBF-UHFFFAOYSA-N	315.417	1.876	50	20	DDGD	
CCOc1nc(C(=O)NNC(=O)c2ccc(C#N)cc2)co1	772595707	ITOKPPKDRDSEFS-UHFFFAOYSA-N	300.274	1.020	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(F)cc(Cl)c1	772189186	XEOSTHAVOFOSSG-ZETCQYMHSA-N	316.716	1.582	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(F)c(C(=O)CC)c1	887145526	HGFCOKPHRNFKSG-UHFFFAOYSA-N	304.321	1.983	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1ccccc1OC(C)C	887143388	XFUZYURJVVUTTI-UHFFFAOYSA-N	302.374	1.967	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCN1C(=O)CCc2ccccc21	780708866	IEPKELYNSKLBDI-UHFFFAOYSA-N	318.377	1.048	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)C[C@H]1C[C@H]2CC[C@H]1C2	788223378	IODQNQKKMHHTDQ-SDDRHHMPSA-N	323.418	1.603	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)O[C@@H]1CCN(C2CCOCC2)C1=O	786675412	IPIAHAUGTBTGPG-FWLQQBITSA-N	304.346	1.169	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cnn2cccc(Cl)c12	883072048	XFJYKVUDZSLWTI-UHFFFAOYSA-N	322.752	1.175	50	20	DDGD	
CN(C)[C@H](C(=O)NNc1cc(F)ccc1F)c1cncn1C	885143007	PYRKCQWCOBDHAV-ZDUSSCGKSA-N	309.320	1.444	50	20	DDGD	
CN(CC1(O)CCOCC1)C(=O)[C@H](Br)C(C)(C)C	781712797	VZEZDJNHKZASRE-JTQLQIEISA-N	322.243	1.796	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=C[C@H]2CCSC2)C[C@@H](C)O1	782170249	FNZVZQFOSHUCOO-IGQOVBAYSA-N	313.467	1.587	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccc(O)c(OC)c2)c1	785422189	OEWKHCGYBCSALK-UHFFFAOYSA-N	316.313	1.944	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@]2(C)CC(C)=NO2)cc1	1120749786	NNTNZJHYCYRZOP-OAHLLOKOSA-N	305.334	1.400	50	20	DDGD	
CCn1cc(C(=O)C(=O)NNc2ccc(F)cc2OC)cn1	788191949	ZPVSBGPYLSTQLE-UHFFFAOYSA-N	306.297	1.377	50	20	DDGD	
COCc1ncsc1C(=O)NNC(=O)c1ccccc1C	785713946	VPVUWUFMSZNFNB-UHFFFAOYSA-N	305.359	1.673	50	20	DDGD	
CC[C@@H](C)[C@@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	780235599	CFMHOAZOORKCPD-CHWSQXEVSA-N	320.389	1.981	50	20	DDGD	
Cc1ccc(C[C@@H](CO)NS(=O)(=O)CCCCCl)cc1	786135928	SXMZHIGFZJSRMN-AWEZNQCLSA-N	319.854	1.837	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1	781001895	URGCTRNMVDETDK-UHFFFAOYSA-N	315.377	2.000	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cc(Cl)cc(Cl)n1	894104134	XZOZIVNNSPQXPO-UHFFFAOYSA-N	318.160	1.576	50	20	DDGD	
Cc1ccc(F)cc1C(=O)NNc1ccc(-n2ccnc2)nn1	788181165	MPPZBCALWVKNEP-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
Cn1c(Cl)cnc1C=NNC(=O)c1cccc([N+](=O)[O-])c1	799463483	ACSDBCNVMQIROP-UHFFFAOYSA-N	307.697	1.746	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cccc(Cl)n2)nc1	793036646	NNITXALVWLYGDB-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)CSc1ccc(C)cc1)C1CC1	792020499	DOCODMYLHOEPGN-CQSZACIVSA-N	308.403	1.660	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2cccc(Cl)n2)n1	793018210	PDLRDBCBQHGJJT-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
COC(=O)[C@@H](C)N(C1CCC1)S(=O)(=O)CBr	790909882	VGXSXMQTITVHJN-SSDOTTSWSA-N	314.201	1.085	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N[C@@H](CO)CC2CCC2)c1	792901708	WRNFVRINTZMEQE-CQSZACIVSA-N	316.361	1.053	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)OCCc2cncn2C)cc(C#N)n1C	793248961	ASAGPNFGSJMPBG-MKMNVTDBSA-N	323.356	1.632	50	20	DDGD	
COC(=O)C[C@@H]1CCC(=NNC(=O)c2ccc(O)c(O)c2)[C@@H]1C	794558678	HVWXJVGMKCCGSO-ZJUUUORDSA-N	320.345	1.793	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCCC[C@@H]2N(C)C)o1	1319135142	KPQQXIIRXBDIEH-RYUDHWBXSA-N	308.382	1.405	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cnn(C(C)C)c2)cc1	1321714376	XQJBTULBYFPRRO-UHFFFAOYSA-N	302.334	1.547	50	20	DDGD	
CC[C@@H]1CCCN1C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1328960487	ANOKAEWQZNXRLH-NRUUGDAUSA-N	317.227	1.677	50	20	DDGD	
CCC[C@H]1CCCC[C@H]1CNC(=O)NNC(=O)C1CCNCC1	1325367527	YNWADUJCXTVPHY-ZFWWWQNUSA-N	324.469	1.923	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H](C)OC2CCCCC2)n1	1321060560	GKQTUHVWPLUSJJ-GFCCVEGCSA-N	305.378	1.889	50	20	DDGD	
COCCn1cc(NC(=O)NNc2cccc(F)n2)ccc1=O	1322999613	RIKCXUMCUHSLFL-UHFFFAOYSA-N	321.312	1.177	50	20	DDGD	
COC(=O)C1(NS(=O)(=O)c2ccc(CCCl)cc2)CC1	1323208054	OKURXVQRQSPFJI-UHFFFAOYSA-N	317.794	1.452	50	20	DDGD	
C[C@H](NCC(=O)NNC(=O)C1CC1)c1nc(C(C)(C)C)cs1	1323796133	IXLLQSCQBHHYAN-VIFPVBQESA-N	324.450	1.649	50	20	DDGD	
COC(=O)C(=O)NN=Cc1cc(-c2ccncc2)ccc1OC	1320393307	HMYIOFCTLZRCKG-UHFFFAOYSA-N	313.313	1.380	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cccc3cc[nH]c23)c1Cl	1333506725	DTVQQCCDMFPKNN-UHFFFAOYSA-N	302.725	1.950	50	20	DDGD	
CC(C)c1nc(C=NNC(=O)Cc2cc(O)nc(O)n2)cs1	1252253852	DAGYUATXXKPELP-UHFFFAOYSA-N	321.362	1.161	50	20	DDGD	
Cc1ncncc1C(=O)NNC(=O)c1ccc2ccccc2n1	1337467108	FZQWLFFQYPYYAU-UHFFFAOYSA-N	307.313	1.408	50	20	DDGD	
COC12CCC(C(=O)NNC(=O)CC(F)(F)F)(CC1)C(=O)C2	1347044071	OQLRUHURYRGAQP-UHFFFAOYSA-N	322.283	1.005	50	20	DDGD	
C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)NNc3ncccn3)c2N1	1346260715	RZEFTRMRFWHFAJ-VXNVDRBHSA-N	323.307	1.440	50	20	DDGD	
CC(C)(C)OC(=O)CCCC(=O)NNc1ncnc2[nH]cnc12	1261500811	HGNSGLQKPILLHX-UHFFFAOYSA-N	320.353	1.308	50	20	DDGD	
C[C@H](NC(=O)[C@@H](Br)C(C)(C)C)c1nnnn1C	1514767932	LRQMMJBEXOWOLJ-NKWVEPMBSA-N	304.192	1.197	50	20	DDGD	
Cn1c(C(=O)NNc2ccc(CC(=O)O)cc2)cnc1Cl	1600898446	FNYYXRRTWMUGRG-UHFFFAOYSA-N	308.725	1.458	50	20	DDGD	
C[C@@H](CBr)CN1CCN(C(C)(C)C(=O)O)CC1	1604060886	PKUKVRJQARAEOP-JTQLQIEISA-N	307.232	1.498	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)Cc1cccnc1	1607140225	OSDILNHHCRXRFU-UHFFFAOYSA-N	301.302	1.474	50	20	DDGD	
COc1cccc(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)c1	1605319287	JFSAUHQGRFAYME-UHFFFAOYSA-N	322.328	1.639	50	20	DDGD	
O=C(NCCOCC1CC1)NNc1ccc(F)c(C(=O)O)c1	1610693741	DFKVKYHAACWGER-UHFFFAOYSA-N	311.313	1.577	50	20	DDGD	
COc1cccc(NNC(=O)Nc2nc(CC(=O)O)cs2)n1	1610356379	BNHZPBVGEMBFCU-UHFFFAOYSA-N	323.334	1.322	50	20	DDGD	
Cn1ccc(C=NNC(=O)[C@H]2CCCO[C@H]2c2nccn2C)c1	1549311990	VJZCPHOMMHZIIO-UONOGXRCSA-N	315.377	1.377	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@]1(C)C[C@H]2CC[C@H]1O2	1610286247	VJARWAYPOXYIIH-ZXIHIIQKSA-N	320.345	1.794	50	20	DDGD	
COCc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)cc1	1549317833	MUYQARHACRMBNK-HOTGVXAUSA-N	317.389	1.146	50	20	DDGD	
O=Cc1c[nH]c2ccc(C(=O)NNc3ncccc3C(=O)O)cc12	1574826947	CEPXWVWWGFSPBJ-UHFFFAOYSA-N	324.296	1.831	50	20	DDGD	
COc1ccccc1NNC(=O)c1cc(-c2nn[nH]n2)ccn1	1580083912	WYEXMWBYETWYPX-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
Cc1oncc1C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843363212	VDOLUBVGELQQBO-SNVBAGLBSA-N	315.732	1.334	50	20	DDGD	
CC[C@@H](C)CC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1590404573	UMPBXSUKURTXAT-MRVPVSSYSA-N	307.358	1.857	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)Cc1cncs1	1599376849	DRIBPBBIYCBPJZ-UHFFFAOYSA-N	307.331	1.536	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(O[C@@H](C)C(=O)O)c(F)c1	1594712436	LUPKBUTWCUEZDZ-ZETCQYMHSA-N	313.285	1.240	50	20	DDGD	
COc1cccc(NNC(=O)c2coc(/C=C/C(=O)O)c2)n1	1594131574	DAUFYSGZSZRDHB-AATRIKPKSA-N	303.274	1.538	50	20	DDGD	
O=C(NN=C1CCCc2c[nH]nc21)c1cccc(-c2nn[nH]n2)c1	1593155161	CJWHSQIXBLQMOI-UHFFFAOYSA-N	322.332	1.060	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)c1cc(C(=O)O)co1	1598542203	ZMYMMZMWCAGYQV-UHFFFAOYSA-N	318.285	1.891	50	20	DDGD	
Cn1c(Cl)cnc1C=NNC(=O)c1ccc(C(=O)O)cc1	1776100778	ZZHCFCLXIYXZFC-UHFFFAOYSA-N	306.709	1.536	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1ccccc1O	5392480	XQHRTRVXTJYXHM-UHFFFAOYSA-N	316.313	1.241	50	20	DDGD	
COC(=O)C[C@H](NC=C(C#N)C#N)c1ccc(OC)c(OC)c1	15242102	DWOAGBJMVATOIH-ZDUSSCGKSA-N	315.329	1.829	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccn(CC(F)F)n2)n1	161737867	ODLJIQPSBLTSOP-UHFFFAOYSA-N	313.268	1.095	50	20	DDGD	
Cc1ncc(/C=C/C(=O)NNC(=S)Nc2ccccn2)s1	161822801	OOVJDJGQRSLNFA-AATRIKPKSA-N	319.415	1.878	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C(=O)Nc2ccccn2)c1C	152047539	MLNQZODWKWDFPP-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNc1ncccc1[N+](=O)[O-]	153071476	GJPABMJVYDPXQB-UHFFFAOYSA-N	319.321	1.788	50	20	DDGD	
O=C(CCOc1ccccc1[N+](=O)[O-])NNc1ncc(F)cn1	157591106	PNSXNPHSHWUECQ-UHFFFAOYSA-N	321.268	1.436	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)OC(C)(C)C	490938753	TZNHSJYLJZSLAW-UHFFFAOYSA-N	318.374	1.250	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=S)NC)cc1OC	7678332	ILGRBLKIFAEYKC-UHFFFAOYSA-N	311.407	1.613	50	20	DDGD	
O=C(CCc1cccnc1)NNC(=O)c1ccc2c(c1)OCO2	8137830	FMQPLLJLABHMEZ-UHFFFAOYSA-N	313.313	1.204	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H](C)Oc2cccc(Cl)c2)nc1O	23309969	WXDQGPONXFVKJZ-QMMMGPOBSA-N	323.740	1.450	50	20	DDGD	
CC(C)n1nccc1NC(=O)C(=O)NNc1c(F)cccc1F	119857631	TVGWKXPIKNZOQJ-UHFFFAOYSA-N	323.303	1.824	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC1CCN(C)CC1)c1ccccc1	111797598	BIQCHTZWVXKNBJ-HNNXBMFYSA-N	318.421	1.605	50	20	DDGD	
C[C@H]1CCC[C@H]1NC(=O)NNc1ccc(-n2cccn2)nn1	105311708	ARJRAJOAIPNOMY-WDEREUQCSA-N	301.354	1.477	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNC(=O)Cc1ccc(F)cc1	104137440	OSVYBRFHDHYQDI-AWEZNQCLSA-N	307.369	1.390	50	20	DDGD	
C#CCOc1ccc(C(=O)NNC(=O)c2ccccc2O)cc1	175068236	ZRCGDUZPJOFXGI-UHFFFAOYSA-N	310.309	1.479	50	20	DDGD	
COCCOc1ccc(C(=O)NNC(=O)c2cccn2C)cc1	171948193	RICNRUBLTNUDAV-UHFFFAOYSA-N	317.345	1.125	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1ccc2c(c1)OCCO2	68266469	UYAUNVXLCCQOSS-UHFFFAOYSA-N	307.350	1.131	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(Cl)c(F)c1)C(=O)N(C)C	175310801	GZELIXZJBSSMNM-ZETCQYMHSA-N	302.737	1.582	50	20	DDGD	
CCOC(=O)CN(C)C(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	171473622	OHODGJQQXKKFII-AWNIVKPZSA-N	314.345	1.134	50	20	DDGD	
CCn1cc(C(=O)C(=O)NNc2ccc(OC(F)F)cc2)cn1	179490656	FNWIEEXUJFXNQE-UHFFFAOYSA-N	324.287	1.830	50	20	DDGD	
COc1ccnc(NNC(=O)c2cccc(Cl)c2[N+](=O)[O-])n1	175408613	FGHAJXINQFVYPD-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)ncn1	172280503	LMQZWBNXVQULLS-LBPRGKRZSA-N	319.409	1.513	50	20	DDGD	
N#Cc1ccc(NNC(=O)CN2CCCCC2=O)cc1Cl	182337348	BDHZXKLRMLIGOB-UHFFFAOYSA-N	306.753	1.667	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Nc1ccnn1C)c1ccccc1	125366340	GZYQLAWUJCKFNG-GFCCVEGCSA-N	301.350	1.767	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)co1	187118581	HEZPDQGJOBARDG-UHFFFAOYSA-N	312.329	1.478	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C1=CCCCO1	72798299	YKYJZMWTYPVCKS-SNVBAGLBSA-N	308.309	1.435	50	20	DDGD	
O=C(NCCCOC1CCCCC1)NNC(=O)c1ccc[nH]1	121245603	AETDXNBKEBDUAT-UHFFFAOYSA-N	308.382	1.698	50	20	DDGD	
Cc1noc([C@H]2CCCN(S(=O)(=O)CCCCCl)C2)n1	184397816	XBHMHHVKXFMDOU-NSHDSACASA-N	321.830	1.906	50	20	DDGD	
Cc1nn(C)cc1[C@H](C)NC(=O)NNc1nc2ccccn2n1	189137737	QDBAVMKKVJVVJZ-VIFPVBQESA-N	314.353	1.159	50	20	DDGD	
COc1ccsc1S(=O)(=O)NNC(=O)c1ccccc1	120526541	AMKPIFHICSJRQB-UHFFFAOYSA-N	312.372	1.380	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCc2ccc3[nH]ccc3c2)[nH]n1	181598215	XFMALRPPOIJJRX-UHFFFAOYSA-N	311.345	1.593	50	20	DDGD	
CCCC[C@@H](NC(N)=O)C(=O)NNc1cc(F)c(F)cc1F	128048970	PWJAIUFLGHLXDT-SNVBAGLBSA-N	318.299	1.774	50	20	DDGD	
CCCCc1nnc(NC(=O)NNC(=O)c2ccncc2)s1	182878904	WHNVUBLOHRCAJX-UHFFFAOYSA-N	320.378	1.742	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)[C@@H](c2ccccc2)C2CC2)nn1	130377854	RWMHWKOKGZRADD-AWEZNQCLSA-N	311.345	1.212	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCCc2cn[nH]c2C)n1	45540197	FKMSZBLPNXSKOO-UHFFFAOYSA-N	303.370	1.384	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ncc(F)cc2F)cc1	191868906	IJEMNXWPTWRYBL-UHFFFAOYSA-N	321.283	1.508	50	20	DDGD	
COc1cccc(OC)c1CC(=O)NNC(=O)CC(C)(C)C	133429987	QGGFQGYQNOHHLU-UHFFFAOYSA-N	308.378	1.830	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNC(=O)Cc1ccccc1F	134987032	RCIKCGOJXYPHGR-UHFFFAOYSA-N	310.325	1.105	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cccc(OCC(F)F)n1	89751809	VEEBNTFREVWQEL-UHFFFAOYSA-N	301.293	1.533	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2n[nH]c3c2CCCCC3)n1	190565988	PQKJVFUDBASAQZ-UHFFFAOYSA-N	316.365	1.543	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc(C)cc1F	94120520	NPMYYQKVFQFQGH-UHFFFAOYSA-N	301.412	1.606	50	20	DDGD	
COc1cc(F)cc(CNC(=O)NNc2ccc(C)nn2)c1	94058967	WOPMEJDCNKLWND-UHFFFAOYSA-N	305.313	1.759	50	20	DDGD	
O=C(NNC(=O)c1c(F)cc(F)cc1F)NC1CCCC1	265950187	MDQROKBFUCPKLQ-UHFFFAOYSA-N	301.268	1.991	50	20	DDGD	
O=C(NCc1nnc2n1CCCC2)NNc1ccc(Cl)nc1	266702131	GVUSKDGKKSLWNX-UHFFFAOYSA-N	321.772	1.489	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=S)Nc1ccc(C)c(C)c1	263645862	HHDJHRLIPCYTQL-NWDGAFQWSA-N	321.402	1.430	50	20	DDGD	
CCN(CC)[C@@H]1CCN(C(=O)NNC(=O)c2ccccc2C)C1	266549543	ICWTWOYDZXSVSF-CQSZACIVSA-N	318.421	1.766	50	20	DDGD	
COC(C)(C)C[C@@H](C)NC(=O)NNC(=O)c1ccccc1O	266805214	OOMCLRBGEONCGW-SNVBAGLBSA-N	309.366	1.540	50	20	DDGD	
COC1(CNC(=O)NNc2nc3ccccn3n2)CCCCC1	276841166	OYXCSCNAORQLNV-UHFFFAOYSA-N	318.381	1.705	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)c2ccc3ccccc3n2)CCO1	271836922	AGAMUJRQKWDWNU-WCQYABFASA-N	313.357	1.811	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)CCCc2ccccc2)CCO1	271843232	BROPWZLAUGTQFP-ZFWWWQNUSA-N	304.390	1.972	50	20	DDGD	
Cc1cn2c(=O)c(C(=O)NNC(=O)OC(C)(C)C)cnc2s1	271318491	NSXYKEJEISPERS-UHFFFAOYSA-N	324.362	1.234	50	20	DDGD	
CC(=O)N1CC[C@@](C)(C(=O)NNc2ccc3ccccc3n2)C1	367608100	PTWHFFISDDEWNO-QGZVFWFLSA-N	312.373	1.936	50	20	DDGD	
C=C(CBr)CN1CCN(Cc2noc(C)n2)CC1	279804369	WQKBNXUKGMAPCC-UHFFFAOYSA-N	315.215	1.447	50	20	DDGD	
O=C(Cc1ccco1)NNc1nnc(-c2ccccn2)s1	365090396	QYELPWOPCWZWPC-UHFFFAOYSA-N	301.331	1.879	50	20	DDGD	
COCc1cccc(S(=O)(=O)NNC(=O)OC(C)(C)C)c1	274067083	JZQRWVHJOGCWAC-UHFFFAOYSA-N	316.379	1.551	50	20	DDGD	
COc1ccc(NNC(=O)Nc2cnc3c(c2)COCC3)nc1	364627348	DSAKLEPRFJKMOK-UHFFFAOYSA-N	315.333	1.707	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H](C(=O)NNc2nc3ccccn3n2)C1(C)C	276836626	LQSIWKIKMZNNPN-GHMZBOCLSA-N	315.377	1.814	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(Cl)c(F)c1)c1ncn(C)n1	275488909	KHGCKMRXRVSLCL-SSDOTTSWSA-N	312.736	1.995	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(F)cc2nc(S)[nH]c12	272713981	YKKFKUUWZNMVSF-UHFFFAOYSA-N	311.342	1.297	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc2ccc(F)cc2nc1C	271367418	ORPWUYRETKGQFQ-UHFFFAOYSA-N	304.325	1.988	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1ccc(C#N)cc1Cl	274174069	ODFGRKDDXXYQCG-UHFFFAOYSA-N	322.752	1.344	50	20	DDGD	
C=C[C@@](C)(CC)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	282365532	CBEUCRPVSMVYQP-INIZCTEOSA-N	303.362	1.683	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NC[C@H]1CN(C)CCN1C	282249998	GOEWNYPUHFABCM-HNNXBMFYSA-N	319.453	1.429	50	20	DDGD	
COCCn1cc(C(=O)NN(C)c2ccccc2)c(=O)cc1C	289187545	ZEIRANROCYBFEW-UHFFFAOYSA-N	315.373	1.584	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)CCc1ccccc1O)C(F)(F)F	288933047	VWHVJUCCJMUILU-QMMMGPOBSA-N	319.283	1.606	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	281264548	PEOJXQAGLUTABL-MRXNPFEDSA-N	321.377	1.204	50	20	DDGD	
Cc1cccc(=O)n1C[C@](C)(O)C(=O)NNc1ccccc1F	281611383	PGCFANFJFPXQKV-INIZCTEOSA-N	319.336	1.190	50	20	DDGD	
CN(C(=O)CNC(=O)NNc1ncncc1F)C1CCCCC1	292692735	NQWBUKZCVRFTHF-UHFFFAOYSA-N	324.360	1.033	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)COC2(C)CCC2)cc1	802056626	WCNGLIMWEGBHQO-UHFFFAOYSA-N	307.350	1.807	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccccc1Oc1cnn(C)c1	801143599	MUAGICZNYBITKG-UHFFFAOYSA-N	303.322	1.128	50	20	DDGD	
COCCOCc1ccc(C=NNC(=O)c2cnn(C)c2)cc1	807972971	LBWSUWWKVHWDFR-UHFFFAOYSA-N	316.361	1.347	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2nc(C3CC3)cs2)nc1	807003029	UFENPVQZFONYTP-UHFFFAOYSA-N	317.374	1.806	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccccc1SCC(N)=O	298629331	DPNPYZKZZHWGDU-UHFFFAOYSA-N	324.406	1.463	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)c1ccc2oc(O)nc2c1	805152788	LVMHYLHRDGWLAN-UHFFFAOYSA-N	315.260	1.747	50	20	DDGD	
COc1ccc([C@@H](C)CC(=O)NNC(=O)[C@@H]2CCCO2)cc1	292042396	AQPRVXULDOYVLC-FZMZJTMJSA-N	306.362	1.515	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N=c2cc[nH]cc2)c2n[nH]cc2c1	802024317	CJILVSQXPHYVFR-UHFFFAOYSA-N	310.317	1.155	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc3oc(O)nc3c2)cc1	805170952	HBPRGBPOXCEXMU-UHFFFAOYSA-N	322.280	1.480	50	20	DDGD	
O=C(NNc1nnc(C2CC2)s1)c1c(F)ccc(O)c1O	294907672	HXZDFOSMTKQMMB-UHFFFAOYSA-N	310.310	1.723	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(OC(F)F)c(F)c1	293916832	GRACYWWIGUIAQK-JTQLQIEISA-N	318.251	1.367	50	20	DDGD	
O=C(CCn1ccnn1)NNC(=O)Nc1ccc(Cl)cc1	802019229	YIOYBMDDBWUOHI-UHFFFAOYSA-N	308.729	1.175	50	20	DDGD	
Cc1ncc2n1CC[C@H](C(=O)NNc1cccc([N+](=O)[O-])c1)C2	290889060	BYHZTNUHFMUBKQ-NSHDSACASA-N	315.333	1.805	50	20	DDGD	
CCCCCCCCC(=O)NNC(=O)CNC(=O)c1ccco1	299697670	UCAUQSBISITNIE-UHFFFAOYSA-N	323.393	1.907	50	20	DDGD	
O=C(NNc1ncccc1F)C(=O)Nc1ccc2c(c1)CCC2	807302513	XWTXRHFGMLTUGN-UHFFFAOYSA-N	314.320	1.791	50	20	DDGD	
Cn1nnc2c1C[C@H](C(=O)NNc1cnc3ccccc3n1)CC2	290381013	INXOOLNZIIYTNI-SNVBAGLBSA-N	323.360	1.007	50	20	DDGD	
CSSCCNC(=O)N(CCS(C)(=O)=O)C(C)C	807232809	LKKNGMAGHODZTC-UHFFFAOYSA-N	314.498	1.462	50	20	DDGD	
COc1cc(C)cc(CNC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	297513197	ZCLSVQVLVYXVSU-FZMZJTMJSA-N	321.377	1.402	50	20	DDGD	
Cc1ccccc1OCCNC(=O)NNc1ncncc1F	814284121	CPQKYWSKJPUSPT-UHFFFAOYSA-N	305.313	1.629	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC[C@H](CC(F)(F)F)C1	817281312	JPYGIDUAGABKAM-SNVBAGLBSA-N	309.332	1.454	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)C[C@H](C)C(=O)O	817869765	RCVHQEPDPTUYGA-QMMMGPOBSA-N	301.774	1.531	50	20	DDGD	
NC(=O)c1csc(C=NNC(=O)COc2ccccc2O)c1	814951620	MFNOMEDVSXFHBS-UHFFFAOYSA-N	319.342	1.082	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@](C)(O)C2CCC2)c(OC)c1	813443406	OBEYSUHNKFSRFZ-INIZCTEOSA-N	322.361	1.016	50	20	DDGD	
Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NN(C)C1CC1)C2=O	819645208	BJHMUOOFDHOIGA-JTQLQIEISA-N	301.346	1.105	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1	816816766	HWRLNOCFPRQJPR-KRWDZBQOSA-N	323.396	1.970	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1nc2c(s1)CCCC2	814955864	AVPNGMRKUHQRAN-UHFFFAOYSA-N	303.391	1.828	50	20	DDGD	
Cn1c(C=NNC(=O)Cc2cc[nH]n2)nc2ccc(Cl)cc21	814955767	WSZLUNZCMLLENW-UHFFFAOYSA-N	316.752	1.643	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)CNc2ccc(C)cc2)C1	819802070	YMLIKTIKLYHWQS-UHFFFAOYSA-N	303.362	1.852	50	20	DDGD	
CC(C)N(C)C[C@H](C)NC(=O)NNc1cccc([N+](=O)[O-])c1	812510126	PBQIQFYQQZQCIL-NSHDSACASA-N	309.370	1.950	50	20	DDGD	
Cc1c(C(=O)NN(C)C2CC2)nnn1-c1cccc2cnccc12	819647833	TVDXGNRAIUZZTR-UHFFFAOYSA-N	322.372	1.863	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(Cl)ncc1Br	823923602	UAEPJCMUZBVICV-ZCFIWIBFSA-N	322.590	1.455	50	20	DDGD	
COC(=O)NCC(=O)NNc1ccc(OCC(F)(F)F)cc1	493783119	VBYHQZLZWGSZBY-UHFFFAOYSA-N	321.255	1.427	50	20	DDGD	
CCO[C@@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)C(C)C	825575932	AIEAURMQYQYFDP-ZDUSSCGKSA-N	318.381	1.761	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)OC(C)(C)C)c1cnn(C)c1	494077093	CGRODLLMHWWIEU-UHFFFAOYSA-N	323.397	1.565	50	20	DDGD	
COc1cc(C#N)ccc1C(=O)NNCC(F)(F)C(F)(F)F	827493120	KYBJTGDKIZHCPK-UHFFFAOYSA-N	323.221	1.999	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(C(=O)NN(C)[C@@H](C)CO)cc1Cl	823917576	KUCJSULIHWEQTR-QMMMGPOBSA-N	301.730	1.514	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)/C(C#N)=C/c2ccc(O)cc2)n1	490696499	PCHMQSLXQSPOGM-UKTHLTGXSA-N	322.324	1.464	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H]1CCc2cc(F)ccc21	825761369	KLCYSYWYMKRPLT-BHYNMZESSA-N	321.352	1.568	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2ncccc2O)cc1	725880048	VXRHMRFRICMGLA-UHFFFAOYSA-N	317.370	1.649	50	20	DDGD	
CNC(=S)N(C)NC(=O)C[C@@H](C)Cc1cccc(OC)c1	822547334	JVIRBGMJYNTPQY-NSHDSACASA-N	309.435	1.731	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)c1c(C)nc2ccccn12)C(C)C	490994207	BIMSSZBYUZNZAS-GFCCVEGCSA-N	313.361	1.245	50	20	DDGD	
O=C(NCB(O)O)c1ccc(SCc2ccccc2)cc1	585060828	KLCIVPZMUJJFCC-UHFFFAOYSA-N	301.176	1.721	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCc2ccc(F)cc2C1	827287696	GOBNKCPARJUNIP-IINYFYTJSA-N	321.352	1.350	50	20	DDGD	
CC(C)CCOc1ccccc1CNCc1ccc(B(O)O)o1	585022230	KWNKAXDZUKDKOX-UHFFFAOYSA-N	317.194	1.674	50	20	DDGD	
COCCCC(C)=NNC(=O)c1cccc(-c2nn[nH]n2)c1	821687072	NEPDBXDCXSEMCC-UHFFFAOYSA-N	302.338	1.399	50	20	DDGD	
CCc1cc(CNC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)on1	490664586	SDMWAKUFEPOJCP-ACAGNQJTSA-N	323.356	1.979	50	20	DDGD	
CCO[C@H](CCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C)C(C)C	826120823	CXYLTMZJMCVXHS-RWMBFGLXSA-N	315.414	1.193	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NC[C@H](O)COCC1CC1	491086053	SWEOGODYLZLQGX-VFXTVZEFSA-N	318.348	1.636	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@@H](C2CC2)C(C)(C)CO)cn1	491047444	IVBIECXHVKYKDD-XMRSSTEGSA-N	302.378	1.240	50	20	DDGD	
CCN(CC)[C@@H](C(=O)N1CC[C@@H](B(O)O)C1)c1ccccc1	585068601	CJYLLJSOPOEFMJ-HUUCEWRRSA-N	304.199	1.145	50	20	DDGD	
OB(O)c1cccc(CN[C@H]2CCO[C@H](c3ccccc3)C2)c1	585036926	SRZCUCQIGKYJFZ-ROUUACIJSA-N	311.190	1.376	50	20	DDGD	
CC(C)(C)C#CC(=O)NNC(=S)NCCc1cccs1	820165157	QRWWFKYRPINQBL-UHFFFAOYSA-N	309.460	1.835	50	20	DDGD	
CCc1cccc(CC)c1S(=O)(=O)NNC(=O)C1CCC1	736063758	UCZWSXBULSBKAI-UHFFFAOYSA-N	310.419	1.921	50	20	DDGD	
CC(C)(C(=O)NNC(=O)Cc1cccnc1)N1CCCCC1	906572739	XSCGMCRNANTUAS-UHFFFAOYSA-N	304.394	1.036	50	20	DDGD	
COC(=O)NNC(=O)c1cc(Cl)ncc1Br	496156668	UJAIEAMPZSDTFM-UHFFFAOYSA-N	308.519	1.498	50	20	DDGD	
CC(C)[C@H](Cc1ccccc1)C(=O)Nc1cccc(B(O)O)c1	584913537	YVLAWAYKGNGCES-KRWDZBQOSA-N	311.190	1.820	50	20	DDGD	
CCOc1c(CN2CC[C@H](B(O)O)C2)c(C)nn1CC(C)C	585077305	TWEJLXHMALVRDK-ZDUSSCGKSA-N	309.219	1.295	50	20	DDGD	
Cc1ccc(CN(C(=O)c2ccc(B(O)O)cc2)C2CC2)cc1C	584950990	OMATZHFABQQRIV-UHFFFAOYSA-N	323.201	1.788	50	20	DDGD	
O=C(NCC(Cl)Cl)[C@@H]1CC(=O)N(Cc2ccccn2)C1	837650926	LWDBPQUATCAMTC-SECBINFHSA-N	316.188	1.350	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)[C@H](C)CN2CCOCC2)C1(C)C	736426956	IYNYZTOWJAXJTI-TZMCWYRMSA-N	311.426	1.262	50	20	DDGD	
Cc1ccc(NNC(=O)C(C)(C)S(C)(=O)=O)c(Cl)c1	836936285	INUVVTRDUZNJDF-UHFFFAOYSA-N	304.799	1.915	50	20	DDGD	
C[C@H]1C[C@H]1c1ccc(CCC(=O)NNC(=O)c2cnn(C)c2)o1	735444102	BLBFLYDIBBBAOJ-GXFFZTMASA-N	316.361	1.530	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc(C(=O)O)c1)c1cnn(C)c1	833520886	JTWFUUKEEQCNDS-SECBINFHSA-N	303.322	1.506	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)c1cc(O)cs1	732287418	BVIIFIJNWAZNKX-UHFFFAOYSA-N	315.354	1.870	50	20	DDGD	
CC(C)N(CCCNCc1ccc(B(O)O)cc1F)C(C)C	585030884	KSSPXHFQYXNGTE-UHFFFAOYSA-N	310.222	1.104	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)C#CC1CC1	837503435	WWJZUSLXLZSHDJ-UHFFFAOYSA-N	304.371	1.348	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCOC[C@H]1C(=O)O	836725672	RGIZONZPSLNHIP-JGVFFNPUSA-N	308.172	1.108	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2n[nH]c3c2CCC3)ccc1F	837033817	GXUQGIRZBDVBCI-UHFFFAOYSA-N	318.308	1.581	50	20	DDGD	
CC(C)CN(C(=O)c1cccc(B(O)O)c1)C1CCCCC1	584933772	KREUYXDSSJICFL-UHFFFAOYSA-N	303.211	1.797	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CSCc1ccc(F)cc1	732084482	KCLPHYFMQRQXCG-UHFFFAOYSA-N	322.365	1.552	50	20	DDGD	
C[C@H]1C[C@H]1c1ccc(CNC(=O)NNC(=O)c2cnn(C)c2)o1	735510543	NHWXGJUUMNZIAP-JOYOIKCWSA-N	317.349	1.281	50	20	DDGD	
CCC[C@H]1C[C@@H](c2nc(-c3cccc(B(O)O)c3)no2)CCO1	585052912	APQAMJYCHOHDLU-JSGCOSHPSA-N	316.166	1.479	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC[C@@]1(C)CC1(Cl)Cl	838686750	NUMHHLLVTVKQNS-JTQLQIEISA-N	312.197	1.327	50	20	DDGD	
CCN(CC)[C@@H](CNC(=O)NNC(=O)C1CCC1)CC(C)C	732444385	LMPNUSNSSSYIHM-CQSZACIVSA-N	312.458	1.873	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNc1cc(C#N)cc(Cl)n1	839717259	LSFOSSPPZPMZGB-VIFPVBQESA-N	309.757	1.197	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@H]1CCC[C@@H](C(=O)O)C1	833102172	FEACXYPCLPEADQ-UONOGXRCSA-N	318.373	1.658	50	20	DDGD	
COc1cc(C(=O)NN=C2C[C@H](C)O[C@@H]2C)cc(OC)c1OC	834921100	REGKIBHUZOBNLT-VHSXEESVSA-N	322.361	1.996	50	20	DDGD	
O=C(COC1CCCC1)NNc1cc(O)nc2ncccc12	913994502	JJQLCNQDEAFABX-UHFFFAOYSA-N	302.334	1.738	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)NC(=O)NNc1c(F)cccc1F	838695533	ZPDCZWFMQOIALR-VIFPVBQESA-N	309.320	1.956	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1ccc(OCC#N)cc1	916359335	VYZVPEAOOLQMIZ-UHFFFAOYSA-N	314.345	1.052	50	20	DDGD	
CSc1cccc(NC(=O)NNC(=O)[C@H]2CCCCO2)n1	836616701	VAGZKCHUNOPYCU-SECBINFHSA-N	310.379	1.525	50	20	DDGD	
CC[C@H](Nc1ccccc1)C(=O)NNc1ncnc2[nH]cnc12	743468273	AQMHXEKHOYAQQW-NSHDSACASA-N	311.349	1.687	50	20	DDGD	
O=C(CC1(O)CCCCC1)NNc1nc(-c2cccnc2)no1	746241199	GVKLASRJHWXXPS-UHFFFAOYSA-N	317.349	1.660	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSc1ccccc1[N+](=O)[O-]	917181579	SIYUPZBKRSJCHE-UHFFFAOYSA-N	311.363	1.880	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@@H]2CS[C@H](C)C2)cc1	840413259	GAAMCWQODLDRTG-KOLCDFICSA-N	324.406	1.925	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)C1(c2cccc(Cl)c2)CC(=O)C1	910148300	SFHFZJJNPSXKEP-JTQLQIEISA-N	310.781	1.285	50	20	DDGD	
CCn1ncnc1C=NNC(=O)[C@@H](C)CN1CCC(C)CC1	848401795	JNQLYBDXBDGIAO-ZDUSSCGKSA-N	306.414	1.116	50	20	DDGD	
CCCNC(=O)NNC(=O)C[C@H](C)NC(=O)OC(C)(C)C	742587700	WNUMZOMYTUAONO-VIFPVBQESA-N	302.375	1.030	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccc(OC(F)(F)F)cc1	841004291	FHNHYRZXFIBFRL-UHFFFAOYSA-N	320.271	1.477	50	20	DDGD	
Cn1nc(C2CC2)nc1CC(=O)NNc1ncc(F)cc1F	843904050	ROSYWJNCVZTJGC-UHFFFAOYSA-N	308.292	1.052	50	20	DDGD	
Cc1ccc(OC[C@H](C)NC(=O)NNC(=O)c2ccc[nH]2)cc1	743352816	ZCOPPYSARLVEHX-LBPRGKRZSA-N	316.361	1.735	50	20	DDGD	
Cc1ccc(-c2n[nH]cc2C=NNC(=O)N2CCOCC2)o1	745590793	FOWJTXJFJVJHNZ-UHFFFAOYSA-N	303.322	1.354	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1c(C)nn(C(C)C)c1C	748136116	BUKREISPVYHUIU-UHFFFAOYSA-N	319.409	1.543	50	20	DDGD	
O=C(NNC(=O)N1C[C@H]2[C@H](C1)C2(F)F)c1cc2ccccc2o1	846711994	RQKWFMGGIKKATF-UWVGGRQHSA-N	321.283	1.984	50	20	DDGD	
O=C(NNc1nccnc1Cl)[C@@H]1CCc2ncncc2C1	844134753	PMKKYARRAAKQNJ-MRVPVSSYSA-N	304.741	1.168	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N1C[C@@H](C)C[C@@H]1C	740902722	FWARTWFHQRQCQS-QWRGUYRKSA-N	315.377	1.727	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1	917916224	BNXXIFJOMGHEIC-UHFFFAOYSA-N	318.289	1.071	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@@H]1CCN[C@H](C)C1	841989256	ZQWJLCCDLLXQGX-TZMCWYRMSA-N	304.394	1.008	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)Nc1ccccc1)c1cnn(C)c1	840444735	JUIQRHQGHXFOFW-LLVKDONJSA-N	301.350	1.767	50	20	DDGD	
CCn1c(CNC(=O)NNC(=O)CC(C)C)nc2ccccc21	915928336	NRODPABPNGBWCQ-UHFFFAOYSA-N	317.393	1.933	50	20	DDGD	
Cc1ccc(N2CCC(C(=O)NNC(=O)NC(C)C)CC2)nc1	745136313	XCGHWRJUIHRBSR-UHFFFAOYSA-N	319.409	1.345	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(N2CCOCC2)c(C)c1	843750907	UCVWMQPLUBUXRJ-UHFFFAOYSA-N	307.350	1.223	50	20	DDGD	
COc1ccc(OCC(=O)NNc2ccnc(N(C)C)n2)cc1	740104976	SXQWJHDOSALAMT-UHFFFAOYSA-N	317.349	1.073	50	20	DDGD	
CC/C=C(\C)C(=O)NNC(=O)c1csc(N2CCOCC2)n1	747147977	KPJIYYLHKBJWDT-ONNFQVAWSA-N	324.406	1.097	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc(C(=O)OC)c1OC	844774593	JBUPRAPBJPERRC-VIFPVBQESA-N	323.349	1.681	50	20	DDGD	
CC(C)c1ncc(S(=O)(=O)NNC(=O)c2ccccc2)[nH]1	742231884	CCOGHJJXHIBGAT-UHFFFAOYSA-N	308.363	1.156	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ncccn1	743289533	YFZUSRSTTSDWNU-UHFFFAOYSA-N	311.128	1.858	50	20	DDGD	
C[C@H](CCCN)NC(=O)NNc1cccc(Br)n1	841999293	GKWZEHGKQJYBDA-MRVPVSSYSA-N	316.203	1.598	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)c1cc2c(s1)CCC2	758894943	UDUZPVHGPJNBHS-UHFFFAOYSA-N	305.403	1.984	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1Cl	858808730	KYUKTEWEGPHHCT-UHFFFAOYSA-N	300.702	1.602	50	20	DDGD	
C[C@H](CN(C)C(=O)NC[C@@]1(C)C[C@H]1Br)C(=O)O	857101090	ROBWAVCKKSOZOK-SOCHQFKDSA-N	307.188	1.522	50	20	DDGD	
Cc1nc(CC(=O)NNc2ncnc(Cl)c2C(C)C)n[nH]1	854944789	XNZGPMKSBXBEMX-UHFFFAOYSA-N	309.761	1.366	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cc2c(nc1O)CCC2)C1CC1	855101938	DIZIWGIFBVZCDR-MRVPVSSYSA-N	320.418	1.183	50	20	DDGD	
CSSCCNC(=O)N1CCC[C@H](c2nc(O)n[nH]2)C1	922390063	WYUHNHANKUMVSL-QMMMGPOBSA-N	317.440	1.411	50	20	DDGD	
O=C1CC[C@@H](CC(=O)NNc2ccc([N+](=O)[O-])cc2F)CN1	855624039	ZBYKMPSSSZBDMM-QMMMGPOBSA-N	310.285	1.093	50	20	DDGD	
CCC1(C(=O)NNC(=O)COc2ccc(C)c(C)c2)COC1	755035850	GUZZKAQSVNSVPX-UHFFFAOYSA-N	306.362	1.256	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](C)c1ccccn1	854388300	FOEROLVGHZXZRE-NSHDSACASA-N	309.366	1.122	50	20	DDGD	
CCn1cc(S(=O)(=O)NC[C@]2(C)C[C@@H]2Br)cn1	856756188	LEYRNXRPHOVXDH-UWVGGRQHSA-N	322.228	1.355	50	20	DDGD	
CO[C@](C)(C(=O)NCCCSC#N)C(=O)OC(C)(C)C	854363841	PKXJFYNPMLBDLZ-CYBMUJFWSA-N	302.396	1.454	50	20	DDGD	
COc1nnccc1NC(=O)NC[C@]1(C)C[C@H]1Br	856870237	REYBANOWJPWTQK-KCJUWKMLSA-N	315.171	1.780	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)CCc1nc(N(C)C)no1	855369172	HSHSBSSKXWXAIK-UHFFFAOYSA-N	307.329	1.659	50	20	DDGD	
CC(C)N1CC(=NNC(=O)c2ccnc(N(C)C)c2)[C@@H](C)C1	754260962	SZHDJIAHDABHAG-LBPRGKRZSA-N	303.410	1.594	50	20	DDGD	
CCOc1nc2sccn2c1C=NNC(=O)NCC1CC1	753924395	RGWIRVZUWOSZME-UHFFFAOYSA-N	307.379	1.838	50	20	DDGD	
COC[C@@H](CNC(=O)NNc1ccc(F)cc1Cl)OC	921874935	ARHZFCDKMFODNN-SECBINFHSA-N	305.737	1.767	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ncc(C)cc2OC)c1	754298421	FIGUTLSPFHVGHW-UHFFFAOYSA-N	315.329	1.942	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cc(C)[nH]n2)cc1OC	755374513	TYNQDMZTOFEFGR-UHFFFAOYSA-N	319.321	1.202	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)Cn1nc(C)cc1C)c1ccco1	854231802	IPTAQAVWQGYVPJ-YFHOEESVSA-N	302.334	1.344	50	20	DDGD	
Cn1nncc1NNC(=O)CCCOc1ccc2c(c1)CCC2	857273450	PISJZPJHCXFHPU-UHFFFAOYSA-N	315.377	1.606	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cc(Cl)c2c(c1)OCCO2	854927848	JLGKEKAHPFBRET-UHFFFAOYSA-N	315.782	1.192	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2nc(C)cs2)cc1	755598872	LENCDNXUKNROLG-UHFFFAOYSA-N	302.359	1.849	50	20	DDGD	
Cn1ncc(C2CC2)c1CNC(=O)NNc1ccc(Cl)nn1	852577436	DTQNWMAWJPPSPW-UHFFFAOYSA-N	321.772	1.567	50	20	DDGD	
CCCOc1ccc(C(=O)NN(C)C(=S)NC)c(OC)c1	854919940	BWYQFYFABQRNDT-UHFFFAOYSA-N	311.407	1.565	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCNC(C)(C)C)c(OC)c1	932128564	CHWFNUXLVWNKAT-UHFFFAOYSA-N	323.393	1.243	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCCn2nc(C)cc2C)n1	935753187	JRDBVPWVNLKMTG-UHFFFAOYSA-N	315.377	1.445	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1sc([C@@H]2CCOC2)nc1C	868861641	VEXABAIVEZCYLB-MRVPVSSYSA-N	314.436	1.036	50	20	DDGD	
COc1ccc(C(CC(C)C)=NNC(=O)[C@H]2CCC(=O)N2)cc1	863150954	FGSLTMUBTPMBGS-CQSZACIVSA-N	317.389	1.840	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H](O)[C@H]2CCCC[C@@H]21)C1CCCC1	868539613	ZIPAXHDETCJLFX-IHRRRGAJSA-N	309.410	1.543	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CC(C)(C)c2ccccc2)n[nH]1	869012131	HDBLVXCWMCFFJH-UHFFFAOYSA-N	314.389	1.776	50	20	DDGD	
COc1ccc(NNC(=O)Cc2ccccc2NC(C)=O)nc1	768238386	FCRCIOGXKZQJBE-UHFFFAOYSA-N	314.345	1.734	50	20	DDGD	
C#Cc1ccc(C(=O)NNc2nccc(N(CC)CC)n2)cn1	762895538	QQARSHYAKLKFBN-UHFFFAOYSA-N	310.361	1.456	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1CCO[C@H]1c1ccncc1)C(F)(F)F	862323102	PINPNNSAUICXPF-GDPRMGEGSA-N	303.284	1.731	50	20	DDGD	
C[C@H](C=NNC(=O)c1cccc(S(C)(=O)=O)c1)CCC#N	766012786	YKXKJPGQMIOAHS-NSHDSACASA-N	307.375	1.746	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNc2ccc(-n3ccnc3)nn2)[C@@H]1C	861694807	YBJLPJARALFVMB-DEKYYXRVSA-N	316.365	1.165	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@H]2CSc3ccccc32)n[nH]1	869014135	OIXVBSQDOPXWMG-LBPRGKRZSA-N	316.386	1.298	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNC(=O)c1cccc(OC)c1O	863861423	VZEQFYMYQMXZRT-GFCCVEGCSA-N	310.350	1.367	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H](O)[C@H](C)c2ccccc2F)n1	864822492	AZWIWKJLMZDOJV-RNCFNFMXSA-N	320.324	1.232	50	20	DDGD	
CN(C)c1ccc2c(c1)N(C)C(=O)C2=NNC(=O)C1CCC1	761817231	PVTBYYZPUPWLRB-UHFFFAOYSA-N	300.362	1.349	50	20	DDGD	
CN1CCCc2cc(NC(=O)NNC(=O)c3cn[nH]c3)ccc21	860523547	HXOYGMMKMOXDBL-UHFFFAOYSA-N	314.349	1.259	50	20	DDGD	
Cc1cc2c(cc1C)C(=NNC(=O)[C@@H]1CCC(=O)N1)CCS2	863152734	FAKGCYCMBIABOU-ZDUSSCGKSA-N	317.414	1.898	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1Br	863146017	KQDPZICTUOOYCQ-LLVKDONJSA-N	324.178	1.568	50	20	DDGD	
CCCCCN1C(=O)C(=NNC(=O)COC)c2ccccc21	761823979	IKIGKEOZUIFSSM-UHFFFAOYSA-N	303.362	1.690	50	20	DDGD	
O=C(NNC(=O)[C@@H](F)C(F)(F)F)c1cccc([N+](=O)[O-])c1	763877419	ZNHNSBCLDCWPTM-SSDOTTSWSA-N	309.175	1.256	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)cc(O)n1	1116936449	HNYNFSDBGWDXRK-UHFFFAOYSA-N	322.271	1.840	50	20	DDGD	
COCc1ccc(NC(=O)C(=O)NN(C)c2ccccc2)cc1	773643955	HGRUIWZEOGCGQT-UHFFFAOYSA-N	313.357	1.939	50	20	DDGD	
Cc1ccc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)cc1O	771968255	LDSVTYNWZXLAIT-NSHDSACASA-N	322.361	1.439	50	20	DDGD	
CC[C@H](C(=O)NNc1ccc(F)c([N+](=O)[O-])c1)N1CCCC1=O	771591367	XAXCKFSUXBRPIY-LLVKDONJSA-N	324.312	1.578	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@H]2COc3ccccc3C2)c1Cl	1116300274	VUBZEFCRURAOQH-SECBINFHSA-N	319.752	1.407	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(C)ccc1[N+](=O)[O-]	772160444	PCSLXGQNVUKIOH-SECBINFHSA-N	323.305	1.006	50	20	DDGD	
CCc1ccccc1S(=O)(=O)NNC(=O)c1ccccn1	777591021	JYDGKGTVWBCHJK-UHFFFAOYSA-N	305.359	1.267	50	20	DDGD	
COC(=O)c1cncc(C(=O)NNC(=O)CC2CCCC2)c1	774288005	NGSIRWRSPYFNNV-UHFFFAOYSA-N	305.334	1.210	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1cc(OC)c(OC)cc1C	872403569	WBNXSPIOTWLYAL-UHFFFAOYSA-N	324.377	1.515	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CC23CCC3)cc1C	876425624	CSZBTCLDVGCTCJ-AWEZNQCLSA-N	317.389	1.955	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@H](C)N(C)c2ccccc2)cc[nH]1	875072330	VDTGUIPTTAFXRC-AWEZNQCLSA-N	313.405	1.963	50	20	DDGD	
CC[C@H]1CCCC[C@H]1OCC(=O)NNC(=S)NC(C)C	1116632533	BUHBGGOBELOGIV-NWDGAFQWSA-N	301.456	1.876	50	20	DDGD	
Cc1cc(NNC(=O)c2c[nH]c3c(C)cccc3c2=O)ncn1	776149559	WDMNJXKXQHEPFQ-UHFFFAOYSA-N	309.329	1.692	50	20	DDGD	
O=C(CNC(=O)c1cccc(O)c1)NNc1cc(Cl)ccn1	779058284	ZGOIHEUWVSTHSU-UHFFFAOYSA-N	320.736	1.314	50	20	DDGD	
O=C(CCc1nc(O)c2ccccc2n1)NNc1ccccn1	777475296	YYXDZIAURNINKR-UHFFFAOYSA-N	309.329	1.806	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cnn(C3CCC3)c2)cc1	1120007538	CKZNEYCYVGDNAJ-UHFFFAOYSA-N	314.345	1.692	50	20	DDGD	
C[C@@H](C1CC1)n1cc(NC(=O)C(=O)NNc2ccccn2)cn1	778696830	CSCBGVSTLCDWHU-JTQLQIEISA-N	314.349	1.331	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C1CCOCC1)c1ccc(OC)cc1	883067445	IMMKPCJWVILWBC-OAHLLOKOSA-N	320.389	1.763	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc(N(C)C)c(F)c1	880922637	MEEUTAJYFAAPEH-KOLCDFICSA-N	324.356	1.469	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(OC(C)C)cc1	771846954	OCQLHJAIJSPFLQ-LLVKDONJSA-N	322.361	1.577	50	20	DDGD	
CC1(C)C(=O)N[C@H]1C1CCN(S(=O)(=O)CCCCl)CC1	882331733	JOQXZBDCAJYVNJ-NSHDSACASA-N	322.858	1.182	50	20	DDGD	
O=Cc1ccc(OCC(=O)NNc2ccccn2)c([N+](=O)[O-])c1	777472640	UVVVEOOOLMPNLP-UHFFFAOYSA-N	316.273	1.324	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2CCOCC2)c(C)c1OC	883069960	BSLHRDGOIORBKA-UHFFFAOYSA-N	322.361	1.200	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)C(F)(F)c1ccc([N+](=O)[O-])cc1	780759201	CCLKVMVQRGYSEV-UHFFFAOYSA-N	308.244	1.647	50	20	DDGD	
COCCONC(=O)NNC(=O)c1ccc(Cl)cc1F	789340854	CYKXPBAPQIFEPW-UHFFFAOYSA-N	305.693	1.001	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCc1cccc2cc[nH]c12	786254501	DNYFMXOGJOVDLK-UHFFFAOYSA-N	314.267	1.951	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)Nc1cscc1Cl	880975345	ZZYKZOUWGWMMKI-UHFFFAOYSA-N	303.771	1.981	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1cnn(C(C)C)c1C	787152610	IVFWBYKZDAFYJC-UHFFFAOYSA-N	305.382	1.235	50	20	DDGD	
C[C@]1(COC(=O)COC[C@@H]2CCCO2)C[C@@H]1Br	1123040525	SYWDOOWYTBHBGD-JBLDHEPKSA-N	307.184	1.899	50	20	DDGD	
C[S@](=O)Cc1ccc(CNS(=O)(=O)CCCCl)cc1	882193653	KPEFNUAXYYVURQ-SFHVURJKSA-N	323.867	1.613	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@H]1CCC(=O)c2cccn21)C1CC1	788753617	BFEQJOLLGHNWOH-BXKDBHETSA-N	320.418	1.300	50	20	DDGD	
O=C1CN(C(=O)C2CCC(Cl)CC2)CN1CC(F)(F)F	1123744833	GQSDCIJJNUSSOI-UHFFFAOYSA-N	312.719	1.975	50	20	DDGD	
CCOc1ccc(C=NNC(=O)[C@H](C)OCCOC)cc1F	782242841	ODKGZCGYKVMYCC-NSHDSACASA-N	312.341	1.726	50	20	DDGD	
Cc1ccccc1C[C@@H](CO)NS(=O)(=O)CBr	786133120	VIKUOOLZLMCIII-NSHDSACASA-N	322.224	1.170	50	20	DDGD	
N#CCCNC(=O)NNC(=O)CSc1ccc(Cl)cc1	787359891	ONJPRTBDPJWFSV-UHFFFAOYSA-N	312.782	1.676	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCC(CC#N)CC2)c1	782087897	HZFHSYOUHKEOLR-UHFFFAOYSA-N	314.389	1.382	50	20	DDGD	
C[C@@H](NS(=O)(=O)CBr)[C@H](O)Cc1ccccc1	782471678	BOBPWRVLZCEXMZ-MWLCHTKSSA-N	322.224	1.250	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNC(=O)c1ccc(Cl)nc1	786781517	CYASFPQENKKTFA-UHFFFAOYSA-N	307.741	1.079	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42	795078672	RHEGGVBHBFZBAL-RJCJOANDSA-N	302.418	1.964	50	20	DDGD	
COC(=O)Cc1cccc(NC(=O)NNC(=O)CC(C)(C)C)n1	792410313	VAJQUYCVWDTEPH-UHFFFAOYSA-N	322.365	1.386	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCc2nnn(C)n2)cc1	799460931	SVIZNSCHKXSZTN-XYOKQWHBSA-N	313.317	1.259	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(CC1CCC1)[C@H](C)CO	796555649	QXGJXIYQPWHKJB-CHWSQXEVSA-N	313.442	1.051	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@H](O)Cc1ccccc1	793968402	BCRJBDQKOXWVHO-ZDUSSCGKSA-N	300.362	1.647	50	20	DDGD	
C[S@](=O)c1ccc(C(=O)NNc2nc3ccccn3n2)cc1	791261059	ZKLCMKRKFMNNCL-QFIPXVFZSA-N	315.358	1.224	50	20	DDGD	
O=C(NCCF)NNC(=O)c1ccc(COc2ccccc2)o1	798048932	YOOSDYXZEOPLLI-UHFFFAOYSA-N	321.308	1.772	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cncc(OCC(F)F)c1	1319383861	ZUUPDKCMACZIBY-UHFFFAOYSA-N	313.304	1.677	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCOC2CCCC2)cc1	1317914631	KANQFYVNDSCDTB-UHFFFAOYSA-N	321.377	1.598	50	20	DDGD	
CC1CCN(CCC(=O)NN=C2CN(C3CC3)C[C@H]2C)CC1	1319562850	ZTSRBGISFYLXGW-CQSZACIVSA-N	306.454	1.695	50	20	DDGD	
CNC[C@@H](C)CNC(=O)NNC(=O)Nc1cc(F)cc(F)c1	1325681507	SDVXZAWEDPIIEM-MRVPVSSYSA-N	315.324	1.156	50	20	DDGD	
CC1(CCNC(=O)C(=O)NC[C@@]2(C)C[C@H]2Br)CC1	1329538982	JIBODAJJOBOAPK-NOZJJQNGSA-N	317.227	1.583	50	20	DDGD	
CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)O)C(=O)[C@H]2Br	2531054	XUJHKPSBHDQIOD-BYULHYEWSA-N	311.197	1.643	50	20	DDGD	
Cn1cc(C(=O)NNc2ncc(F)cn2)c(-c2cccnc2)n1	1324519428	CELDRDZFRGWMAK-UHFFFAOYSA-N	313.296	1.168	50	20	DDGD	
O=C(CCl)N1CCCN(C(=O)CCc2ccccc2)CC1	1320465843	OIKXVMNHUZSMIO-UHFFFAOYSA-N	308.809	1.919	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)CC(C1CC1)C1CC1	1322028825	KFNTZWMUOSGQQA-UHFFFAOYSA-N	309.410	1.265	50	20	DDGD	
CCSc1ccc(C(=O)NNc2nncc(N)c2Cl)cn1	1322679669	QRTABZALFHCEDJ-UHFFFAOYSA-N	324.797	1.976	50	20	DDGD	
Cn1ccc(NNC(=O)c2ccc(Br)cc2O)n1	1326697987	TWTYHTHMXCIHKP-UHFFFAOYSA-N	311.139	1.645	50	20	DDGD	
COc1ccc(NNC(=O)c2cn(C3CCOCC3)nn2)cc1	1329963358	NXQQAYVXSIFKKW-UHFFFAOYSA-N	317.349	1.395	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H]2CCCC[C@@H]2N(C)C)n1	1320047512	KONVCEIZGWMMTL-RYUDHWBXSA-N	307.398	1.589	50	20	DDGD	
Nc1cnnc(NNC(=O)C2(Br)CC2)c1Cl	1335990770	JVLLRWRGGCBVCY-UHFFFAOYSA-N	306.551	1.083	50	20	DDGD	
CC[C@]1(C)NC(=O)N(NC(=O)c2cccc(CCl)c2)C1=O	1337208638	BTRZSTHUTKEOSA-AWEZNQCLSA-N	309.753	1.791	50	20	DDGD	
Cc1nn(C(C)C)cc1C(=O)NNc1nncc(N)c1Cl	1332916523	ZFYKBTFLUSFYQU-UHFFFAOYSA-N	309.761	1.555	50	20	DDGD	
C[C@]1(COC(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H]1Br	1345266663	QNGZXDLINBNANY-OIBJUYFYSA-N	318.127	1.508	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CCO[C@H]1C1CC1	1341361870	CYHHXFHEQVMTFW-KGLIPLIRSA-N	303.362	1.507	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2[C@@H](C)C2(F)F)c(OC)c1	1348794432	USXVYKROKPFGDB-HQJQHLMTSA-N	314.288	1.366	50	20	DDGD	
C=C[C@@H](COC)NC(=O)NNC(=O)CCCc1ccccc1	1342730660	XVXIODYONKOVKS-AWEZNQCLSA-N	305.378	1.541	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C[C@H]1COc2ccccc2O1	1344041095	DPKQZXFAGBQOER-JTQLQIEISA-N	309.391	1.120	50	20	DDGD	
CO[C@H]1CCC[C@@H]1C(=O)NNC(=O)c1ccc2ccccc2n1	1353253706	DHCGSDGSRVPVFT-WFASDCNBSA-N	313.357	1.811	50	20	DDGD	
C[C@]1(COC(=O)c2cnn3c2OCCC3)C[C@H]1Br	1526044061	GCSUHQVJRLGXHU-BXKDBHETSA-N	315.167	1.996	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2c(Cl)n[nH]c2C2CC2)nc1	1602383454	LEAJBNFQGGVYPV-UHFFFAOYSA-N	321.724	1.791	50	20	DDGD	
Cc1cc(C(=O)NNc2cccc(F)c2C(=O)O)c(C)nn1	1607579733	FBFWWPALFLVSMB-UHFFFAOYSA-N	304.281	1.688	50	20	DDGD	
Cc1cnc(COCC(=O)NNc2ccc(C(=O)O)c(F)c2)o1	1607908180	GEJQMEOPCDVPNH-UHFFFAOYSA-N	323.280	1.480	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1cccc(OCC(F)(F)F)c1	1602072134	RKSZNDMLUCJBMB-UHFFFAOYSA-N	319.239	1.345	50	20	DDGD	
COC(=O)CC[C@@H](NC(=O)C1CCC(Cl)CC1)C(=O)O	1606458850	VHVJKRAEALCAQS-UDNWOFFPSA-N	305.758	1.307	50	20	DDGD	
O=C(O)CCN1CCC(=NNC(=O)Cc2ccc(F)cc2)CC1	1610773679	ONGOTFYSYYOIRY-UHFFFAOYSA-N	321.352	1.411	50	20	DDGD	
CC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)CN)C2	1800070358	DQPPJJXTJLUAJI-LBELIVKGSA-N	315.845	1.237	50	20	DDGD	
Cc1c[nH]nc1C=NNC(=O)[C@@H]1CCCO[C@@H]1c1nccn1C	1549316640	QIPWJMAQCQQEQG-YPMHNXCESA-N	316.365	1.070	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@H]1CCC[C@H]1N	1579309590	KHYUVZLBRQNTGH-VHSXEESVSA-N	308.407	1.140	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNc1ncccc1C(=O)O	1574539755	VUJJQODTBPLOSU-UHFFFAOYSA-N	310.313	1.878	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)N[C@@H]1CCNC1	1579552745	JANZLELRQVZVKS-SNVBAGLBSA-N	313.199	1.746	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H](N)CCCC#N)c1ccccc1	1576938705	KQFWEQZTYIWRKB-KGLIPLIRSA-N	302.378	1.349	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@@H](CN)c1ccccc1)C1CC1	1576233888	LXXVTYLWVZVBEQ-MFKMUULPSA-N	306.435	1.023	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2ccc(N)cn2)cc1C	1579723432	AGBLTIKRDFYEIG-UHFFFAOYSA-N	315.402	1.912	50	20	DDGD	
O=C(CCCc1ccccc1Cl)NNC(=O)[C@@H]1CCCNC1	1580532683	UJXBWJNIMOYUPR-CYBMUJFWSA-N	323.824	1.810	50	20	DDGD	
NOCCCNC(=O)NNC(=O)c1ccc(Cl)cc1Cl	1580359894	JHGDNZXTDDORHP-UHFFFAOYSA-N	321.164	1.218	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N[C@H]1C[C@H](C(=O)O)C1)c1ccccc1	1588610019	IWQSKAFIMGAWJR-UMSPYCQHSA-N	319.361	1.158	50	20	DDGD	
C[C@@]1(CNC(=O)C2(C(=O)O)CCOCC2)C[C@H]1Br	1589240877	ARSUUALKBKVASR-KCJUWKMLSA-N	320.183	1.158	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)C2(C(=O)O)CCCCC2)n1	1594666518	OTCBPHAYSBAUFY-UHFFFAOYSA-N	313.745	1.190	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NN[C@H](Cc2ccc(F)cc2)C(=O)O)O1	1599906888	RPTZVUHEBQBSSU-BIMULSAOSA-N	310.325	1.010	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H](C(=O)O)C(C)C)c1	1594351876	CMLOSUITGSJVQJ-GFCCVEGCSA-N	323.418	1.978	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2cccc(C(=O)O)c2)CCCCO1	1594020438	MQOOPJCYAXXAPN-HNNXBMFYSA-N	307.350	1.970	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccc(C)c(C(=O)O)c2)o1	1598960136	UIHYDJDRGDKBQE-UHFFFAOYSA-N	318.285	1.830	50	20	DDGD	
Cc1sccc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1592522648	FQBHTPUOTBHKIZ-UHFFFAOYSA-N	300.347	1.994	50	20	DDGD	
CCN1CCC(NC(=O)NNc2ccc(CC(=O)O)cc2)CC1	1596409367	ACJKUNCEVCDZLR-UHFFFAOYSA-N	320.393	1.424	50	20	DDGD	
O=C(NN=CCCc1ccc(-c2nn[nH]n2)cc1)c1ccoc1	1593155193	DVHBQGPKDAMNOV-UHFFFAOYSA-N	310.317	1.808	50	20	DDGD	
C[C@H]1C(=NNC(=O)c2cnsn2)CC[C@H](C(=O)O)C1(C)C	1776105070	NIPQGMFSRHRGEE-JGVFFNPUSA-N	310.379	1.781	50	20	DDGD	
CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)C)C2	1799265312	DJUJITWMJBBKSX-YVECIDJPSA-N	316.829	1.249	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC#N)C2	1793680283	QCWUIKNTCGAGIV-RNJOBUHISA-N	311.813	1.946	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2n[nH]c3ccccc23)c1	15877175	ALBVTAJBBLJTMN-UHFFFAOYSA-N	324.340	1.711	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C	158666723	GVSFEDWQKJKNBK-HVCHUGMYSA-N	305.353	1.989	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCCOc2ccccc2)[nH]n1	152949974	KKGWWMJTEHFBNA-UHFFFAOYSA-N	302.334	1.338	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCn2cncc2C1	154140347	FEOGQBZBIRGDMX-SNVBAGLBSA-N	301.306	1.497	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)c1n[nH]cc1[N+](=O)[O-]	159756832	RWOVYJPBUHKKSU-UHFFFAOYSA-N	301.184	1.492	50	20	DDGD	
C[C@@H]1C[C@H](O)CN(S(=O)(=O)c2ccc(CCCl)cc2)C1	401765316	UMXYJFKMLYGNRJ-YPMHNXCESA-N	317.838	1.859	50	20	DDGD	
CC(C)[C@H](CNS(=O)(=O)CCl)NC(=O)OC(C)(C)C	830534679	FDFYBYNGAMLONP-VIFPVBQESA-N	314.835	1.651	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)Cc2cccnc2)c1	103425265	QPOSCLHWIYGLNZ-CYBMUJFWSA-N	313.357	1.547	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1n[nH]c2c1CCC2	108996023	TXFROJKYVZJVEQ-UHFFFAOYSA-N	302.309	1.041	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)Cc1ccccc1F	106288085	TYEMQZOTTBQADP-UHFFFAOYSA-N	316.332	1.854	50	20	DDGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NNC(=O)NC)c1C	56376703	JTIWKAPCATZFMO-ZROIWOOFSA-N	317.393	1.772	50	20	DDGD	
CS(=O)(=O)c1ccc(CNC(=O)NNc2ccccc2)cc1	114931775	XEHQFVJPFASBGT-UHFFFAOYSA-N	319.386	1.916	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cc(C(C)C)on1	179263587	JUZWYVPJQQBUDE-UHFFFAOYSA-N	317.345	1.810	50	20	DDGD	
Cc1nnc(NNC(=O)C2(c3ccc(Cl)cc3)CC2)nc1O	23309496	NFGCYYPMRZVSQX-UHFFFAOYSA-N	319.752	1.714	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CN(C)c1ccccc1	67439216	KLYUBHQKUNJLDB-UHFFFAOYSA-N	313.357	1.593	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCc2c(C)noc2C)n1	174485210	SZGXQLZYFVBXND-UHFFFAOYSA-N	305.338	1.474	50	20	DDGD	
O=C(NNc1ccccc1)[C@@H]1CC(=O)N(CC(F)(F)F)C1	111553647	QTBXTPOVHQEXEA-SECBINFHSA-N	301.268	1.541	50	20	DDGD	
CN(C)N(C(=O)CCc1cccs1)[C@@H]1CCS(=O)(=O)C1	68525944	TVLGMAUVRULYMM-LLVKDONJSA-N	316.448	1.173	50	20	DDGD	
COC(=O)NNC(=S)NC1CCN(Cc2ccccc2)CC1	63142675	NJTAXSGBBDIIBC-UHFFFAOYSA-N	322.434	1.386	50	20	DDGD	
O=C(NNc1ccc(Cl)c(F)c1)N[C@H]1CCS(=O)(=O)C1	175147448	WNNRXGHDMWPKNT-QMMMGPOBSA-N	321.761	1.292	50	20	DDGD	
Cc1nn(C)c2sc(C(=O)NNC(=O)c3ccccn3)cc12	21960808	CCLDHWFTTCXPGR-UHFFFAOYSA-N	315.358	1.413	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1F)c1cncc(O)c1	174987625	RINUPYIWYAQRBA-UHFFFAOYSA-N	309.684	1.655	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccc(Cl)nn1)Cn1cccn1	60628217	ABLLWTAEDQPQSK-VIFPVBQESA-N	309.761	1.289	50	20	DDGD	
CCc1cccc(OCC(=O)NNC(=O)c2ccc(C#N)cc2)c1	61474493	LOZNCYINLUFCPE-UHFFFAOYSA-N	323.352	1.961	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(Cl)ccc1F	124642125	XGXTZNKEEDCGHP-SSDOTTSWSA-N	315.732	1.611	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](CC)c1nc(C)cs1	66703972	CLCFZZDVCULHQK-SECBINFHSA-N	300.384	1.270	50	20	DDGD	
N#Cc1cc(NC(=O)NNC(=O)Cc2cccnc2)ccc1F	184878496	AQAITLNXJMWHFI-UHFFFAOYSA-N	313.292	1.488	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1cccc(-n2ccnc2)c1	181405878	QFLGPAXVESYLTM-UHFFFAOYSA-N	322.328	1.349	50	20	DDGD	
CN(NC(=O)C1(c2ccccc2Cl)CCOCC1)C(N)=O	181084014	NVDZCKQERRLCTH-UHFFFAOYSA-N	311.769	1.430	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@H](O)c1ccccc1	73517589	BKYGMRVUSSOBFY-CYBMUJFWSA-N	310.313	1.913	50	20	DDGD	
Cc1ccccc1[C@H](CC(=O)NNc1ccncc1)NC(N)=O	180504299	YMNXATDCIFKMEY-AWEZNQCLSA-N	313.361	1.633	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)[C@@H]1OCCc2ccccc21	123854804	OJHSKYWABUAUAK-CYBMUJFWSA-N	304.737	1.887	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCC2(CO)CCC2)cc(C#N)n1C	182294070	GKTQYWSMXZNHHV-MKMNVTDBSA-N	312.373	1.391	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)COCc1ccccc1	124423104	BTAHCJLBYILGKB-ZDUSSCGKSA-N	306.362	1.332	50	20	DDGD	
O=C(NCCOc1ccc(Cl)cc1)NNc1cccnn1	77333358	CDIAMRFMPJSMQO-UHFFFAOYSA-N	307.741	1.835	50	20	DDGD	
Cc1cc2cc(NC(=O)C(=O)NNc3ccccn3)ccc2[nH]1	181420484	LDWMNGOHFITIHR-UHFFFAOYSA-N	309.329	1.953	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cc3ccccn3c2)c1	74566056	GIJYWWAMJFLDGL-UHFFFAOYSA-N	304.309	1.886	50	20	DDGD	
O=C(CC1(O)CCCCC1)NNc1nc(-c2ccncc2)no1	73259583	BGNAKRJJKYLLIX-UHFFFAOYSA-N	317.349	1.660	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N(C)c2cnn(C)c2)cc(C#N)n1C	73114138	OMLIYOLJALZOLP-ACAGNQJTSA-N	308.345	1.509	50	20	DDGD	
CC(C)c1ncc(C(=O)NNC(=O)NCC(F)(F)F)s1	133605615	URIVMOHETVELPT-UHFFFAOYSA-N	310.301	1.773	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](C)Oc1cccc(F)c1	132115595	VEPUNBWFRKYICI-VIFPVBQESA-N	306.297	1.535	50	20	DDGD	
CCC1=C(C(=O)NNC(=O)Cc2ccccc2F)CCCO1	191525549	IHQQYFVQUZMKOY-UHFFFAOYSA-N	306.337	1.990	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccccc1O)c1cccnc1	43787593	LUGCAPLQEIGGGZ-JTQLQIEISA-N	300.318	1.492	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCc2ccncc2)cc(C#N)n1C	45050909	ZUROEHOAGKGNRO-CHHVJCJISA-N	305.341	1.824	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@](C)(N)c2ccccc2)n1	192484312	CTSGIJMIZOKPDI-HNNXBMFYSA-N	301.350	1.111	50	20	DDGD	
CC(=O)NNC(=O)c1ccccc1OCc1c(C)noc1C	192863280	COQDBGFBMUDFNP-UHFFFAOYSA-N	303.318	1.651	50	20	DDGD	
CO[C@@H](C)C(=O)NNC(=O)c1cccc(Br)c1	80965558	MZJMHOAFFMDJFA-ZETCQYMHSA-N	301.140	1.245	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NC1CCC(CO)CC1	194849058	ZLNKMNOWBMKQRB-ZROIWOOFSA-N	300.358	1.966	50	20	DDGD	
CC(C)(C)n1nccc1NC(=O)NNC(=O)c1ccncc1	190450225	GQTCNZKFBHAQNH-UHFFFAOYSA-N	302.338	1.500	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H](C)Oc2cccc(F)c2)n1	46365889	UFBVYEVGOMRVPR-SECBINFHSA-N	306.297	1.535	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(Cl)nc2)o1	84461495	BGHCIYOOJLABTD-UHFFFAOYSA-N	315.738	1.260	50	20	DDGD	
COC(=O)[C@H](NNC(=O)c1ccccc1)c1cccc(C#N)c1	83029607	IYHIAEZUTBSLSW-OAHLLOKOSA-N	309.325	1.707	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cn(C(C)(C)C)nn1	191537589	BIRQKUQAKGJJPZ-UHFFFAOYSA-N	317.349	1.117	50	20	DDGD	
BrC[C@H](CN1CCN([C@@H]2CCOC2)CC1)C1CC1	859207575	SVCWYVJFRUWFIL-ZIAGYGMSSA-N	317.271	1.814	50	20	DDGD	
CCCN1CC[C@H](CNC(=O)NNc2ccc(Cl)nn2)C1	97257759	UDYHCKNNXYPBAS-SNVBAGLBSA-N	312.805	1.488	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=Cc1ccc([N+](=O)[O-])o1	254387109	RZLDQCPWBBEYSG-UHFFFAOYSA-N	313.273	1.908	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)NOCC(C)C)cc1C	269724377	TWLRJOYGEDXTIP-UHFFFAOYSA-N	322.365	1.160	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(C)oc2C(F)(F)F)[nH]n1	274573763	FECHTVSDABDJFS-UHFFFAOYSA-N	316.239	1.713	50	20	DDGD	
CSSCCNC(=O)N1CCC[C@H](Cn2ccnn2)C1	367568461	YHEFJDRFBMWAFB-NSHDSACASA-N	315.468	1.711	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)[C@@H]1CCCCS1	272811108	ALGGXZRIANGVDI-JTQLQIEISA-N	305.363	1.860	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@@H]2CCc3nccn3C2)c1	364214008	KITVFONWCBBAKW-SNVBAGLBSA-N	316.752	1.509	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NC1CCS(=O)(=O)CC1	273093907	FYRHRHXVKZIVSY-FMIVXFBMSA-N	322.361	1.426	50	20	DDGD	
CC(C)(C)C(=O)C(=O)NNC(=O)CSc1ccccc1O	270983030	DCZNSPNFPMBEIT-UHFFFAOYSA-N	310.375	1.247	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)N2CCC(C)CC2)s1	274488365	NTJMTLIULZZHAK-UHFFFAOYSA-N	309.391	1.076	50	20	DDGD	
COc1ccc(NNC(=O)/C=C/c2nnc(C(C)C)o2)nc1	275445804	CBBYNLUHPTYXSV-VOTSOKGWSA-N	303.322	1.753	50	20	DDGD	
CCOc1ccc(C(=O)NN[C@H](CC)C(=O)OC)cc1OC	279679920	FDTWFLNCVOLOTE-LLVKDONJSA-N	310.350	1.280	50	20	DDGD	
CC(C)Cc1cc(C(=O)NNC(=O)NC2CCCC2)cc(O)n1	271948182	YXZOXFMSHIPWCB-UHFFFAOYSA-N	320.393	1.872	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@@]2(C)CCO[C@@H]2C2CC2)n1	375818136	VWPUJBOCJAMPMQ-CZUORRHYSA-N	319.409	1.925	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)N[C@@H]1CCC[C@H]2OCC[C@@H]12	372808914	VHTSLOTUOKRVOA-ZKYQVNSYSA-N	319.361	1.294	50	20	DDGD	
COCCOc1ccc(C(=O)NNc2nccnc2OC)cc1	274154876	ZSOSHOSYIZDYPO-UHFFFAOYSA-N	318.333	1.267	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@H](c1nncn1C)C(C)C	286828988	LCYFPRXPASUJRF-NSHDSACASA-N	303.370	1.542	50	20	DDGD	
CCOC(=O)CC(C)(C)CC(=O)NNc1nccc(OC)n1	287726034	VRGUULSCOSLGGF-UHFFFAOYSA-N	310.354	1.298	50	20	DDGD	
CN(NC(=O)[C@@H]1COCCN1C1CCCC1)c1ccccc1	287015812	DWWSDROOMJIJQK-INIZCTEOSA-N	303.406	1.797	50	20	DDGD	
N#Cc1ccc(N2CC[C@H](C(=O)NNC(=O)C3CC3)C2)c(F)c1	288515699	XIQGUBXFBMLQCI-LBPRGKRZSA-N	316.336	1.081	50	20	DDGD	
COC1(C(=O)NNC(=O)C(C)(C)c2ccccc2)CCOCC1	284112089	UZCVWXDIMNATST-UHFFFAOYSA-N	320.389	1.307	50	20	DDGD	
CC1(CCNC(=O)NNc2ccc(-n3cccn3)nn2)CC1	280470640	TZENUSVFFLVQMP-UHFFFAOYSA-N	301.354	1.479	50	20	DDGD	
Cc1c(NNC(=O)CCc2cncn2C)cccc1[N+](=O)[O-]	281306013	UCHSOCSIPSJAII-UHFFFAOYSA-N	303.322	1.713	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)C[C@H]1CCCC(=O)N1	289452740	TXXSFUSRJBXXHI-CQSZACIVSA-N	317.389	1.216	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)CSc1ccccc1O)C(C)C	281036552	IOPDCVWXBRDQEY-LLVKDONJSA-N	321.402	1.473	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cc(C3CC3)ccn2)[nH]n1	289821837	BGIBUUGNXQHOAS-UHFFFAOYSA-N	300.322	1.457	50	20	DDGD	
Cc1coc(C)c1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	288281425	AYCYZHBGYZJLDQ-NSHDSACASA-N	300.380	1.002	50	20	DDGD	
Cc1cc(C)nc(C(=O)NNc2ccccc2S(C)(=O)=O)c1	801171627	HRHHEDSSVNNWMJ-UHFFFAOYSA-N	319.386	1.859	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)C#Cc2ccccc2)cc1	802121971	WSFILTLUBYMPPX-UHFFFAOYSA-N	322.368	1.957	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1ccc2c(c1)OCCO2	298635806	FGFBRGIAXUOERY-UHFFFAOYSA-N	307.350	1.334	50	20	DDGD	
COc1ccc(C(=O)CCCC(=O)NNC(=O)CC2CC2)cc1	294301031	WWKLATFZOXUOAQ-UHFFFAOYSA-N	318.373	1.996	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1cccc2c1OCC(=O)N2	290236046	SEDKVYZUODSKDQ-UHFFFAOYSA-N	320.349	1.606	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CCCCCC#N)c1	805162431	YEPSQBXXQNCLQJ-UHFFFAOYSA-N	303.362	1.995	50	20	DDGD	
COc1ccc(-c2n[nH]cc2C(=O)NNC(=O)CC(C)C)cc1	298063178	GUVIALVXKDMLDE-UHFFFAOYSA-N	316.361	1.892	50	20	DDGD	
CC(=O)c1cccc(OCCCC(=O)NNc2nnc[nH]2)c1	293933358	NPNPEPXZTPHPNU-UHFFFAOYSA-N	303.322	1.310	50	20	DDGD	
Cc1ccc([C@H](C)NC(=O)NNC(=O)[C@@H]2CCCO2)cc1C	292017199	ZZUOYOKHUXHCDM-JSGCOSHPSA-N	305.378	1.874	50	20	DDGD	
COCc1cnc(NC(=O)NNC(=O)Cc2ccncc2)s1	806605558	ZQLPCGRYKGOWPN-UHFFFAOYSA-N	321.362	1.080	50	20	DDGD	
CCc1nnc(O)c(C(=O)NNc2cccc(F)n2)c1CC	804773392	JMMGMJSSKDDCKV-UHFFFAOYSA-N	305.313	1.598	50	20	DDGD	
O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)C1CCC1	294776058	ZLKKHZDODZTYHZ-UHFFFAOYSA-N	319.317	1.505	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNC(=S)NCCSC	291235572	IXYSLTQRQLNNSA-UHFFFAOYSA-N	307.444	1.069	50	20	DDGD	
CC(C)Oc1ncccc1C(=O)NNc1ccnc(N(C)C)n1	806902563	ZLQCKWSIXAVLCG-UHFFFAOYSA-N	316.365	1.482	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cccc(F)c1Cl	295316532	GGYLUNYKBPAECB-SNVBAGLBSA-N	300.717	1.809	50	20	DDGD	
Cc1cc(NNC(=O)c2c(-c3cccnc3)noc2C)ncn1	806863861	UXXDYDDKMRFVCR-UHFFFAOYSA-N	310.317	1.900	50	20	DDGD	
C[C@H]1C[C@H](c2cccnc2)N(CC(=O)NNC(=O)C(C)(C)C)C1	805750306	ZHJNLVPZYWSIJI-GXTWGEPZSA-N	318.421	1.658	50	20	DDGD	
CCCC[C@@H](C)C(C)=NNC(=O)N[C@H]1CCS(=O)(=O)C1	807965472	XPSLHBSPYHIDOW-PWSUYJOCSA-N	303.428	1.675	50	20	DDGD	
COC(=O)COCC(=O)Oc1ccc([N+](=O)[O-])c2ncccc12	808742496	ADGQKZAFRFPYSB-UHFFFAOYSA-N	320.257	1.238	50	20	DDGD	
CON(C)C(=O)CNC(=O)NNc1cc(Cl)cc(Cl)c1	817803192	XVPNRTFQVQXIIL-UHFFFAOYSA-N	321.164	1.639	50	20	DDGD	
O=C(C[C@@H]1C(=O)Nc2ccccc21)NNc1ncncc1F	817079275	OMLFWOFLQUJSTB-VIFPVBQESA-N	301.281	1.185	50	20	DDGD	
C[C@@H]1CCc2c(C(=O)NNC(=O)c3ccnnc3)csc2C1	817692450	PAXKNPOSKNQGHE-SECBINFHSA-N	316.386	1.738	50	20	DDGD	
COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NN(C)C2CC2)cc1	819652640	YDPKMINAGBBKLB-OAHLLOKOSA-N	317.389	1.425	50	20	DDGD	
CC[C@@H](C=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1	814782555	PDWNRRNHCHYDHE-GXTWGEPZSA-N	308.403	1.717	50	20	DDGD	
C[C@@](O)(C(=O)NNc1ccnc(Br)c1)C1CCC1	813521594	YOTJEAVGGDPPAT-LBPRGKRZSA-N	314.183	1.838	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)c2ccc3c(c2)OCO3)C1	819801299	HTNDLXDQEPBLQF-UHFFFAOYSA-N	304.302	1.474	50	20	DDGD	
CN(NC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)C1CC1	824026279	MALFXTLJPDQLKN-CQSZACIVSA-N	318.377	1.935	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccccc1OCc1cscn1	823983661	YXCIEOTWHYAUGB-LLVKDONJSA-N	321.402	1.680	50	20	DDGD	
CC(C)N1CCC[C@@H]1C(=O)NNCC(F)(F)C(F)(F)F	827489237	YSNVCZUIKHQOJL-MRVPVSSYSA-N	303.275	1.678	50	20	DDGD	
C#C[C@H](NC(=O)NNc1ccc(F)c(C(=O)OC)c1)C(C)C	491673899	WKSPOWBXSLQGBN-ZDUSSCGKSA-N	307.325	1.896	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CSC[C@H]2CCCO2)c1	727348449	KHZQKZBEIPLKOF-CYBMUJFWSA-N	308.403	1.668	50	20	DDGD	
CCN(CCO)NC(=O)Cc1csc(-c2ccccc2)n1	823834272	ZJJGYEBFEGPQBB-UHFFFAOYSA-N	305.403	1.698	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1	823945928	AOCWEFATKUPWNZ-ZETCQYMHSA-N	321.255	1.571	50	20	DDGD	
CO[C@H](Cc1ccccc1)C(=O)NNC(=O)CC(F)(F)F	825505686	QHYFOMNARJWZBP-SNVBAGLBSA-N	304.268	1.344	50	20	DDGD	
COC(=O)N(C)NC(=O)Cc1nc(-c2ccccc2)oc1C	495629792	WCMXDRPMQRQZRD-UHFFFAOYSA-N	303.318	1.922	50	20	DDGD	
COC[C@@H](Cc1ccccc1)NC(=O)/C(C#N)=C\c1cnn(C)c1	491175610	LRADUDLVCDVZOX-QOTSWMAJSA-N	324.384	1.701	50	20	DDGD	
CC(C)NC(=O)NCCOC(=O)/C(C#N)=C/c1ccccc1	829060213	JMOLOXJKZWRPIH-GXDHUFHOSA-N	301.346	1.844	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(C(F)F)cc1	726529680	XHYVONPYRMWRPW-UHFFFAOYSA-N	301.293	1.605	50	20	DDGD	
C[C@@H]1CCC[C@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1	494540201	RRYCIOQOEMYXOM-MNOVXSKESA-N	313.398	1.485	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)/C=C\c1ccsc1	493799187	ZVZQMXNNNUQETK-WAYWQWQTSA-N	309.391	1.214	50	20	DDGD	
Cc1ccccc1-n1cc(C(=O)NNC(=O)OC(C)(C)C)nn1	496854630	GZVDSNLOTIAWQE-UHFFFAOYSA-N	317.349	1.745	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1cccc(Cl)c1	825517944	CBGKNKDEOIQISN-CABZTGNLSA-N	311.769	1.595	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cc(Cl)n(C)n2)n1	826966134	IFILIWBLAAVLJF-UHFFFAOYSA-N	323.788	1.467	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C)c1noc(COC(C)C)n1	491009444	KFDOGVRDPNMVPX-UEUZTHOGSA-N	308.338	1.616	50	20	DDGD	
CCC[C@@H]1CCCC[C@H]1NC(=O)c1cc(B(O)O)ccc1F	584945571	ZURODPJDVHYHBW-IAQYHMDHSA-N	307.174	1.594	50	20	DDGD	
CO[C@](C)(C1CC1)[C@H](C)NC(=O)NNC(=O)OC(C)(C)C	497035784	NIBZBROOJRXQQB-XPTSAGLGSA-N	301.387	1.929	50	20	DDGD	
CN(NC(=O)Nc1ccnc(OCC(F)(F)F)n1)C1CC1	824366899	KKEAXQHRCANTRR-UHFFFAOYSA-N	305.260	1.548	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C[C@]1(C)CC1(Cl)Cl	823176168	PFHBEPJJXXJEQG-SNVBAGLBSA-N	305.165	1.453	50	20	DDGD	
C[C@]1(C(=O)N[C@H]2CCN(c3ccccn3)C2)C[C@H]1Br	907117974	XHFHYSZMQRYNJU-WDMOLILDSA-N	324.222	1.950	50	20	DDGD	
CCOCC(=O)NN=C(C)c1ccc(NC(=O)NC2CC2)cc1	731154724	ZXIVQQSTUKRPHQ-UHFFFAOYSA-N	318.377	1.847	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1c(CC)cccc1CC	736063050	ZIXYPDIKNNHEGE-UHFFFAOYSA-N	300.380	1.751	50	20	DDGD	
CN(NC(=O)/C=C\c1ccccc1OC(F)(F)F)C(N)=O	492395816	VWUIVQWMZLKWSK-SREVYHEPSA-N	303.240	1.640	50	20	DDGD	
C#CCCCC(=O)NN=Cc1csc(N(CC)C(C)=O)n1	901321072	PPNFAXJVBIZPAI-UHFFFAOYSA-N	306.391	1.770	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCc2ccc(F)cc21	732200241	SNXNJVFTKMSDJI-NSHDSACASA-N	307.369	1.770	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCCO1)[C@H](C)NC(=O)OC(C)(C)C	496291026	FKQJHXVQWGWQRN-CMPLNLGQSA-N	313.398	1.961	50	20	DDGD	
COCCSc1ccc(NCc2cccc(B(O)O)c2)cc1	585016626	SRROYFMYNXLVPT-UHFFFAOYSA-N	317.219	1.717	50	20	DDGD	
O=C(CCc1ccc(C(=O)O)cc1)NNC(=O)c1ccncc1	739256042	NYYHVMVLLCKKKP-UHFFFAOYSA-N	313.313	1.174	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NC[C@@H]1CC1(C)C	732819746	BJLNHNUCIPZBPB-NSHDSACASA-N	315.377	1.633	50	20	DDGD	
C[C@]1(C(=O)NC[C@@](C)(O)C(F)(F)F)C[C@@H]1Br	907157176	DBMLKNISTZFQDI-APQOSEDMSA-N	304.106	1.589	50	20	DDGD	
CCC(C)(C)OCC(=O)NNC(=O)CCc1ccccc1O	839663400	RDVOTBLLNNFIRB-UHFFFAOYSA-N	308.378	1.677	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NN=C1CCN(C(=O)O)CC1	739356610	NEMYZMPDPIJSIE-UHFFFAOYSA-N	314.345	1.887	50	20	DDGD	
COC(=O)[C@H]1CN(C)CCN(/C(=C/C#N)c2ccc(F)cc2)C1	839630920	RTUGBPHSUDTBSQ-WBNYAZSOSA-N	317.364	1.727	50	20	DDGD	
O=C(CCc1ncc(-c2ccccc2Cl)o1)NCB(O)O	585061713	YQZUFASCQBFYRY-UHFFFAOYSA-N	308.530	1.056	50	20	DDGD	
CNc1nnc(S[C@H](C)C(=O)NNC(=O)CC(C)C)s1	734980882	CBJPEELDYIFHSO-SSDOTTSWSA-N	317.440	1.254	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)CNc2ccccc2F)n1	834919910	DUPZSMGEFJJCEQ-UHFFFAOYSA-N	304.329	1.308	50	20	DDGD	
O=S(=O)(CCl)NCCOc1ccc(Cl)c(F)c1	832175206	OOOKHDBKPUPXIK-UHFFFAOYSA-N	302.154	1.974	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21	905201051	XWFDRYNERXIXPV-ZLKJLUDKSA-N	306.749	1.255	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)C1CCSCC1	732936265	IFZGICAMZASVNG-UHFFFAOYSA-N	317.414	1.932	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@]1(C)CCCCO1	837310496	DFBVZGZUNMSUGC-INIZCTEOSA-N	322.361	1.181	50	20	DDGD	
C[C@]1(C(=O)NC[C@H]2CCN(C3CC3)C2)C[C@@H]1Br	906361707	LJIJKXGDLLJALS-CDMKHQONSA-N	301.228	1.760	50	20	DDGD	
O=C(NCB(O)O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1	585060554	SISYWFOXPXEMRG-GHMZBOCLSA-N	316.191	1.474	50	20	DDGD	
CC[C@@H](CC(F)(F)F)C(=O)NNC(=O)NCC(F)(F)F	831753870	DBLHGORCYJKBCR-YFKPBYRVSA-N	309.210	1.858	50	20	DDGD	
CCN1CC[C@H](NC(=O)NNc2ccc(C)cc2Cl)C1=O	838583655	DTXNJVBIBSHNBW-LBPRGKRZSA-N	310.785	1.895	50	20	DDGD	
CCCCCOc1ccc(C(=O)CCC(=O)NCB(O)O)cc1	585056463	OWPLQJWRNPJTOJ-UHFFFAOYSA-N	321.182	1.347	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNc1ccc(C(=O)OC)c(F)c1	838677165	RTKMITZKYPAXRA-OLZOCXBDSA-N	323.324	1.582	50	20	DDGD	
CSC1(CNC(=O)NNC(=O)[C@@H]2CCCCO2)CCC1	836428192	FXQLZDRASKUPOE-JTQLQIEISA-N	301.412	1.172	50	20	DDGD	
O=C(CNC(=O)c1c(F)cccc1Cl)NNc1cccnn1	736702171	GRFWBRIEFACUCS-UHFFFAOYSA-N	323.715	1.142	50	20	DDGD	
Cc1ccccc1[C@H]1CCN(CC(=O)NNC(=O)C2CC2)C1	733194621	DFSLJNRGBPRDGM-AWEZNQCLSA-N	301.390	1.342	50	20	DDGD	
O=C(CCc1ccc(C(=O)O)cc1)NNC(=O)c1ccccc1	739256486	WKKYJORACWLTPK-UHFFFAOYSA-N	312.325	1.779	50	20	DDGD	
CCC(C)(C)OCCNC(=O)NNC(=O)c1ccccc1OC	836292876	VYNJKEQEYGLVTP-UHFFFAOYSA-N	323.393	1.844	50	20	DDGD	
COc1cc(CO)ccc1C(=O)NNC(=S)N[C@H](C)C1CC1	912162064	USSTZKGDJMDYJY-SECBINFHSA-N	323.418	1.095	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NCC2(C#N)CC2)ccc1F	838576194	HLVAYMGVRGQBSL-UHFFFAOYSA-N	306.297	1.542	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1	911441180	XGXXYALWZXOKLO-UHFFFAOYSA-N	305.693	1.346	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1O)c1ccc(O)nc1	918358076	JAFIPOFCQPFPMK-UHFFFAOYSA-N	307.693	1.221	50	20	DDGD	
COc1ccc(S(=O)(=O)NCCCSC#N)cc1C	916964619	NJCFXHWVNJWMPL-UHFFFAOYSA-N	300.405	1.886	50	20	DDGD	
CCCOc1cccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	843641946	DRBPBSFEDIZOSL-BXUZGUMPSA-N	306.362	1.661	50	20	DDGD	
CCN(CC(=O)NNC(=O)C(C)(C)C)c1cccc(OC)c1	744391169	RCJAQBNNEMHTMF-UHFFFAOYSA-N	307.394	1.715	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(C(=O)OC(C)(C)C)cn1	843851134	YLYJCPKRXMCSBP-UHFFFAOYSA-N	322.365	1.343	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(Cl)nc(C2CC2)c1	847099524	QYRZDNVJDKUBFW-LDYMZIIASA-N	323.780	1.798	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H](C)[C@H]2CCCNC2)c1	841928470	VFDHQAQRJWWCQW-YPMHNXCESA-N	320.393	1.487	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)CCCN)ccc1Cl	841222494	XQBOZRWGUBPUCY-UHFFFAOYSA-N	300.746	1.240	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)n1	916124395	VAROAOORWFRXLQ-RWMBFGLXSA-N	321.450	1.184	50	20	DDGD	
O=C(NN=Cc1ccc(CO)o1)c1cc([N+](=O)[O-])ccc1O	741773767	KOBKWVJGXSWGEY-UHFFFAOYSA-N	305.246	1.150	50	20	DDGD	
COCCNCCNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	846674138	IJKRMAFHNDKOSR-DMDPSCGWSA-N	319.243	1.292	50	20	DDGD	
O=C(NNc1ccc(F)cn1)N[C@@H]1CCCN2CCCC[C@H]12	848675041	PFDQONAQSGISJW-CHWSQXEVSA-N	307.373	1.864	50	20	DDGD	
CC(C)c1cccc(NC(=O)NN(C)C(=O)N2CCNCC2)c1	841015053	BYDWSQPRGHJROK-UHFFFAOYSA-N	319.409	1.804	50	20	DDGD	
CO[C@H](CC(=O)NNC(=O)NC1CCCCC1)C(F)(F)F	845078347	AIHQJCPITXRPPB-SECBINFHSA-N	311.304	1.617	50	20	DDGD	
COCC[C@H](C)CNC(=O)NNc1ccc2c(=O)[nH]ccc2c1	840396442	PZOUNTVGQFGBML-NSHDSACASA-N	318.377	1.827	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)CS(=O)(=O)C(C)C	846643002	JDLWLEVIDIGUQI-UHFFFAOYSA-N	304.343	1.101	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)[C@@H]2CCO[C@@H]2C)C[C@H]1C	842562426	PVOYBZBCIHLQDF-HBJVGIJOSA-N	310.394	1.883	50	20	DDGD	
COc1ncnc(N)c1C=NNC(=O)Cn1ccc2ccccc21	747631748	WDOXBDYSYDVHLO-UHFFFAOYSA-N	324.344	1.172	50	20	DDGD	
CCCN(C(=O)/C(C#N)=C/c1cnn(C)c1)[C@@H]1CCN(C)C1	843990730	YIERTAMBNGYJGV-UJMHRVFCSA-N	301.394	1.270	50	20	DDGD	
CN(C)[C@H](C(=O)NNC(=O)c1ccccc1F)c1ccccc1	744314078	KOORZZJWNQZBNI-HNNXBMFYSA-N	315.348	1.890	50	20	DDGD	
COc1ccc(NNC(=O)c2ccnc(-n3cncn3)c2)cc1	746885669	BORCOFXYMSCLIN-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
CCn1cncc1C=NNC(=O)CCc1ccc(OC)cc1	841620203	FBGSYQRHOJDNCK-UHFFFAOYSA-N	300.362	1.995	50	20	DDGD	
NC1CCC(NC(=O)NNC(=O)CCCc2ccccc2)CC1	841944958	UROCTLULTXIDBX-UHFFFAOYSA-N	318.421	1.610	50	20	DDGD	
CCCN1C(=O)C(=NNC(=O)[C@@H]2CCO[C@@H]2C)c2ccccc21	842554312	HQCRQQJBDDNXMG-VXGBXAGGSA-N	315.373	1.689	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCCO2)NNC(=O)NCC1CC1	843774913	JPANVSPKCDGZJA-UHFFFAOYSA-N	303.362	1.295	50	20	DDGD	
Cn1nc(C(=O)NNc2cccc([N+](=O)[O-])c2)cc1C1CC1	748004547	IOOPCMLJUOSRFC-UHFFFAOYSA-N	301.306	1.963	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(OCc2ccccc2)ccn1	910162027	BYTPLBHMHQEXFK-CYBMUJFWSA-N	315.373	1.618	50	20	DDGD	
C[C@H](N)CNC(=O)NNc1ccc(F)cc1Br	841983676	FKJMIGYXAOOWEC-LURJTMIESA-N	305.151	1.562	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNc1nc2ccccc2n1C	848380698	ONVJSDUXTCHXCA-UHFFFAOYSA-N	318.377	1.996	50	20	DDGD	
CC(C)c1nn(C)c(Cl)c1C(=O)NNC(=O)c1ccccn1	741660181	MYMWXJWXQNVLSV-UHFFFAOYSA-N	321.768	1.667	50	20	DDGD	
C[C@@H]([C@H](C)C(=O)NNc1cnc2ccccc2n1)S(C)(=O)=O	841425579	RANDJNZEGNRQCQ-UWVGGRQHSA-N	322.390	1.142	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)ccc1[N+](=O)[O-]	842562362	PMFSKANSKPXLRJ-MWLCHTKSSA-N	307.306	1.479	50	20	DDGD	
O=C(NN=C1CCCn2ccnc21)c1ccc2c(c1)OCCO2	848403823	ACYUSIVOKVNVMJ-UHFFFAOYSA-N	312.329	1.582	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=S)NC(C)(C)C	849167396	BQQATAZVMGRFOP-BXKDBHETSA-N	323.418	1.509	50	20	DDGD	
O=C(NNc1cnccn1)[C@H](C[C@H]1CCCO1)C(F)(F)F	845955400	OATDBWPMGGTPCE-BDAKNGLRSA-N	304.272	1.667	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H](C)n2cccn2)c1	920430725	FWJOZSMTJVGCAF-NSHDSACASA-N	303.391	1.770	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NCCCc2nc[nH]n2)c(C)c1	923142313	OIUJKYUGOKMIRM-UHFFFAOYSA-N	302.382	1.989	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC(F)(F)C[C@@H]1C	858573147	ZOBANCQOQWMRAW-LPEHRKFASA-N	305.325	1.272	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc2oc(C(C)C)nc2c1	756618817	SEIUXSSLAOUDLR-UHFFFAOYSA-N	306.322	1.750	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccccc1C(=O)NC(C)(C)C	756517216	OGBLHFOFNMQZJQ-UHFFFAOYSA-N	306.366	1.778	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NC[C@@]1(C)CCCO1	755231327	SLCYONIUTQXWMP-MRXNPFEDSA-N	321.377	1.137	50	20	DDGD	
CC(C)c1ccc(NNC(=O)C2=NN3CCCN=C3N2)cc1	854884651	MEPCSFXIOTVKLE-UHFFFAOYSA-N	300.366	1.232	50	20	DDGD	
CC(C)O[C@@H]1CCN(C(=O)NNC(=O)c2cccc(F)n2)C1	852712214	IBHANICGEGVHOY-SNVBAGLBSA-N	310.329	1.074	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ncoc1C(F)(F)F	854684160	ZFGWXMDXMHIQGS-ZCFIWIBFSA-N	307.228	1.024	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)Nc2ccccc2C)ncn1	757047808	GRQLNEBRILLLIF-UHFFFAOYSA-N	314.349	1.629	50	20	DDGD	
CNC[C@H](C)NC(=O)NNC(=O)c1c(Cl)cccc1Cl	851679806	DDBAMHLZNRXDDE-ZETCQYMHSA-N	319.192	1.545	50	20	DDGD	
Cn1cc(/C=C/C(=O)NNc2ccc(C(F)(F)F)nn2)cn1	755197415	MDWZUPQHMASSJE-GORDUTHDSA-N	312.255	1.385	50	20	DDGD	
C[C@@](O)(CC(=O)NNC(=O)Cc1c[nH]c2ccccc12)C1CC1	755411025	NJEZEVLJLHIZPZ-QGZVFWFLSA-N	315.373	1.409	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21	854162543	MJJVMHBFCZLEPV-HBNTYKKESA-N	311.382	1.237	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)CC1(CSC)CC1	854286488	QOZXDTTYUPOWKI-UHFFFAOYSA-N	319.496	1.394	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccn(-c2ccc(F)cc2)n1	921038131	GEMQBZKLKGKGKW-UHFFFAOYSA-N	305.313	1.365	50	20	DDGD	
COc1cccc(NCC(=O)NN=Cc2cnc(C)n2C)c1	853278896	JVHGGLJTIYLOIZ-UHFFFAOYSA-N	301.350	1.299	50	20	DDGD	
COC(=O)C12CC(C(=O)NC[C@]3(C)C[C@@H]3Br)(C1)C2	857385524	ISMFVSURBRYUPH-UNQZYEGDSA-N	316.195	1.619	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2F)nn1	855626358	BPCFMMGHWMBZJM-UHFFFAOYSA-N	322.300	1.837	50	20	DDGD	
C[C@@]1(CNC(=O)CCn2ccccc2=O)C[C@@H]1Br	857397696	IPMPGGYGJJQCBH-GWCFXTLKSA-N	313.195	1.528	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(OC)c2ncccc12	756236784	AYHOXEHGFZVLOX-UHFFFAOYSA-N	304.306	1.043	50	20	DDGD	
Cc1ccc(C)n1-c1ccc(C(=O)NN=Cc2cnnn2C)cc1	751130970	JBVBIFOCASMKTP-UHFFFAOYSA-N	322.372	1.987	50	20	DDGD	
COCCCOc1ccc(C(=O)NNC(=O)CC(C)C)cn1	750716194	IKMSUKIPUMSWBW-UHFFFAOYSA-N	309.366	1.304	50	20	DDGD	
CC[C@H](C(=O)NNc1cccc(C(=O)OC)c1C)C(=O)OC	855625559	VZSVIDBJFYFKJR-SNVBAGLBSA-N	308.334	1.424	50	20	DDGD	
CC(C)(C)[C@@H]1CCN(C(=O)NNC(=O)c2cccc(F)n2)C1	852709286	QRINGHYFPWDUEM-SNVBAGLBSA-N	308.357	1.943	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2CC23CCC3)c1	759687856	BXQHPFZKCPGDGL-ZDUSSCGKSA-N	304.346	1.655	50	20	DDGD	
Cc1csc(C=NNC(=O)[C@H](C)CN2C[C@H](C)O[C@@H](C)C2)n1	755588409	RJUAIBSXUWOVAN-WXHSDQCUSA-N	324.450	1.647	50	20	DDGD	
CCC(=NNC(=O)CCCNC(=O)C(C)(C)C)[C@H]1CCOC1	853408999	FZNURESXDWKKRG-LBPRGKRZSA-N	311.426	1.848	50	20	DDGD	
C[C@H](NC(=O)NC[C@@]1(C)C[C@@H]1Br)C1(CO)CC1	923368905	GWYUZDXUDAJTRI-ATZCPNFKSA-N	305.216	1.620	50	20	DDGD	
O=C1COc2ccc(NC(=O)NNC(=O)C3CCCC3)cc2N1	755516315	ZEJSPIXXVXMGRW-UHFFFAOYSA-N	318.333	1.360	50	20	DDGD	
CN(C(=O)NC[C@]1(C)C[C@@H]1Br)C1CCOCC1	856751556	BGMRIYKEHDADGK-JQWIXIFHSA-N	305.216	1.980	50	20	DDGD	
CN(C)c1cc(C(=O)NNc2ccncn2)c2ccccc2n1	857521024	XVBCIECYAOYFEU-UHFFFAOYSA-N	308.345	1.848	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cnn(CC(C)C)c1C1CC1	854922501	APISXPFQQZGUPP-UHFFFAOYSA-N	309.439	1.497	50	20	DDGD	
C[C@H]1CCCC[C@H]1NC(=S)NNC(=O)c1cccc(F)n1	853051181	BBVKCKWPGKWYJF-VHSXEESVSA-N	310.398	1.908	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2nnnn2CC2CC2)cc1F	853999924	SIFWHFDZXLOIQM-UHFFFAOYSA-N	319.344	1.357	50	20	DDGD	
CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)[C@H]1CCC(=O)N1	858184834	VIAZWCGSOHDZAN-RWMBFGLXSA-N	324.425	1.200	50	20	DDGD	
CC[C@H](C)n1ncc2c(C(=O)NNC(=O)N(C)C)cc(C)nc21	751385992	BYATVOPHDAEBEW-JTQLQIEISA-N	318.381	1.627	50	20	DDGD	
CN(C)c1cnc(C(=O)NC[C@@]2(C)C[C@H]2Br)cn1	857393362	FUKFQRUFNBVDGX-BXKDBHETSA-N	313.199	1.446	50	20	DDGD	
COCc1ccc(C(=O)NNC(=O)Cc2cc(C)[nH]n2)cc1F	869018501	LMVQSMXLHZKSQP-UHFFFAOYSA-N	320.324	1.007	50	20	DDGD	
O=C1NCC[C@]1(C(=O)NNc1ccc(Cl)nc1)C1CCCC1	863892579	AXPDLLIUEBRQDS-HNNXBMFYSA-N	322.796	1.875	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H]2C[C@H]2OCC)c1	865271331	DBGPXIGHGYEUPI-QWHCGFSZSA-N	303.387	1.411	50	20	DDGD	
O=C(Cn1ccnc1C1CC1)NNC(=O)c1cccc(Cl)c1	863386549	XANGFBNLBHMSMJ-UHFFFAOYSA-N	318.764	1.875	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cn[nH]c1	862474247	HNGNPSPGXSLPRS-VXNVDRBHSA-N	304.272	1.539	50	20	DDGD	
COC(=O)c1cc(C)cc(NC(=O)NNC(=O)CC(C)C)c1	933033999	YHPNWRORDPFHRR-UHFFFAOYSA-N	307.350	1.980	50	20	DDGD	
COCCCn1cc(C(=O)NNc2ccnc(Cl)c2)cn1	862177629	XANRYNCTXAUZHN-UHFFFAOYSA-N	309.757	1.725	50	20	DDGD	
COc1cc(COc2ccc(B(O)O)cc2)ccc1SC	864048429	XFROCMHQVKMVMD-UHFFFAOYSA-N	304.176	1.676	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2cccc(C(C)C)c2)n[nH]1	869018438	KGIABVUTMPKEFP-UHFFFAOYSA-N	300.362	1.845	50	20	DDGD	
CCCCNC(=O)NN=C1C(=O)Nc2cc(N(C)C)ccc21	761800236	NSMDUSCZBLROJJ-UHFFFAOYSA-N	303.366	1.508	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2ccc(F)c(C#N)c2Cl)cn1	761818815	ZEFALYPZXYBYSF-UHFFFAOYSA-N	305.700	1.848	50	20	DDGD	
N#Cc1cnc(C(=O)NNC(=O)c2ccccc2F)c(Cl)c1	769464633	RJFBKWHUIRROGT-UHFFFAOYSA-N	318.695	1.821	50	20	DDGD	
C[C@@H](CC(=O)NNc1ncc(F)cn1)C(=O)c1ccccc1	760911259	CRPVNATUNJECGZ-JTQLQIEISA-N	302.309	1.968	50	20	DDGD	
Cc1cc(CC(=O)NN=C/C=C\c2ccccc2[N+](=O)[O-])n[nH]1	767396270	NMBFHLCBLOTAFB-MMQVGAAWSA-N	313.317	1.984	50	20	DDGD	
CCOC(=O)CN(C1CC1)S(=O)(=O)CC(C)(C)CCl	866591155	GFIDOZZMWLPIJI-UHFFFAOYSA-N	311.831	1.609	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1cccc(Cl)n1	863931168	JRMGATPGCGSVER-RKDXNWHRSA-N	319.752	1.033	50	20	DDGD	
CCn1cnnc1-c1cccc(NCc2ccccc2B(O)O)c1	864025942	RYDKCYPQJFGBFI-UHFFFAOYSA-N	322.177	1.257	50	20	DDGD	
Cc1ccc(-c2n[nH]cc2C=NNC(=O)[C@H]2CCC(=O)N2)cc1	863145320	MJWMDZQOMNYXDF-CYBMUJFWSA-N	311.345	1.114	50	20	DDGD	
CCN(CC1CC1)C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1118821095	YQYDOJJZZWAGFE-ZWNOBZJWSA-N	317.227	1.535	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1F)[C@@H]1CCCS1(=O)=O	871270165	LRBHLUHTXRWQBZ-JTQLQIEISA-N	306.746	1.499	50	20	DDGD	
Cc1ncc(CCNC(=O)NNc2ccc(Cl)nn2)s1	772019227	BPQGQBKUQSEXGP-UHFFFAOYSA-N	312.786	1.764	50	20	DDGD	
CC(C)CSCCCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C	1118125640	XADAYOCXYGCORI-RYUDHWBXSA-N	317.455	1.521	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCO[C@@H](C(C)C)C2)cc1	778242860	YQTRIPSYLUZBLC-OAHLLOKOSA-N	319.405	1.113	50	20	DDGD	
Cc1cc(=NNC(=O)NCc2c(C3CC3)cnn2C)cc[nH]1	875740400	PCDNFNKJSUQIKR-UHFFFAOYSA-N	300.366	1.249	50	20	DDGD	
C[C@]1(CNC(=O)N2CCCN(C=O)CC2)C[C@H]1Br	875758720	PLAYNSUZLAJHPP-ZYHUDNBSSA-N	318.215	1.034	50	20	DDGD	
COCCCNC(=O)NNC(=O)C/C=C\Cc1ccccc1	874194770	LDGYXIBUWYEAPI-WAYWQWQTSA-N	305.378	1.542	50	20	DDGD	
Cc1cc(C)c(C(=O)NNc2ccccc2S(C)(=O)=O)[nH]1	1116305255	ZVUYASFWXDDDHM-UHFFFAOYSA-N	307.375	1.792	50	20	DDGD	
COc1ccccc1[C@@H](CO)NC(=O)NNC(=O)C(C)(C)C	778659456	FVCQTLILKRKLIS-LLVKDONJSA-N	309.366	1.105	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1c(F)cccc1N1CCCC1	779823510	RPLNTZXHVOKJBV-UHFFFAOYSA-N	322.340	1.232	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2cccc(C#N)c2)cc(O)n1	778261033	JGFHGAZJAUGFGE-UHFFFAOYSA-N	310.313	1.296	50	20	DDGD	
CC[C@@H](CO)C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	779723859	BVBAYKCKFZUYOZ-UWVGGRQHSA-N	310.419	1.652	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cn1ccc2ccccc21	772039241	NCMVAHCLXLLTGB-LLVKDONJSA-N	317.345	1.130	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C[C@H](C)C2CC2)nc1C	778422285	ZDTTYJYBUNZJDR-VIFPVBQESA-N	306.366	1.841	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2ccn(C(F)F)n2)c1	775809679	CWZXBRAEKOTUQL-UHFFFAOYSA-N	312.667	1.955	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](CC)c1ccc(F)cc1	772359596	UOARVCMEWFSLBF-MFKMUULPSA-N	324.352	1.808	50	20	DDGD	
N#Cc1ccc(NNC(=O)CCCC(N)=O)cc1C(F)(F)F	787464757	RELJCCVETKSRBA-UHFFFAOYSA-N	314.267	1.676	50	20	DDGD	
C=C/C=C/CCNC(=O)NNC(=O)c1ccc2c(c1)OCCO2	883825183	HUUVWJJEKPXWAA-ONEGZZNKSA-N	317.345	1.534	50	20	DDGD	
CON=Cc1ccc(C(=O)NNc2ncncc2Cl)cc1	781819516	GYCSEJBXYAVBDN-UHFFFAOYSA-N	305.725	1.867	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2[C@@H](C)C2(F)F)c(F)c1	1123805557	VAXKZHHSUQETTJ-LDWIPMOCSA-N	302.252	1.957	50	20	DDGD	
C[C@H]1CN(c2ccc(C(=O)NNc3nc[nH]n3)cc2)C[C@H](C)O1	880018171	NDYYBXPPECTFAQ-QWRGUYRKSA-N	316.365	1.175	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cn(-c2cccc(Cl)c2)nn1	781002046	XRCWXNKOSZBZBT-UHFFFAOYSA-N	322.756	1.227	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccc3nccn3c2)c1	780796564	FMBKBCILUHCMGW-UHFFFAOYSA-N	310.313	1.878	50	20	DDGD	
CC(=O)NCCc1cn(/C(Cl)=C/CBr)nn1	881311009	WFIWFHXOAAWUHJ-XNWCZRBMSA-N	307.579	1.389	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cc(F)cc(F)c1O	884431724	DXYFAUCALRCNPO-UHFFFAOYSA-N	313.304	1.425	50	20	DDGD	
CCN(CCC(=O)NC)C(=O)NC[C@]1(C)C[C@H]1Br	895922541	KAUDRBWGXSHRTH-SKDRFNHKSA-N	320.231	1.328	50	20	DDGD	
CCC[C@@H](O)CC(=O)NNC(=O)NCc1ccc(Cl)cc1	787436211	QOKMPLHDPQRHGG-GFCCVEGCSA-N	313.785	1.722	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNc1nc(C)cc(OC)n1	780599842	FZUHZGBCNRIPSU-UHFFFAOYSA-N	310.354	1.216	50	20	DDGD	
COc1ccc(COCC(=O)NNc2cccc(OC)n2)cc1	780772477	BDCDZVHAKXFVLF-UHFFFAOYSA-N	317.345	1.759	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C[C@H](C)NC(=O)C1CCCCC1	780709320	PHVMWHWTPZNZOX-NSHDSACASA-N	312.414	1.154	50	20	DDGD	
CCc1csc(NC(=O)C(=O)NNc2cccc(OC)n2)n1	789726470	MWMJFMKVBYGSDS-UHFFFAOYSA-N	321.362	1.191	50	20	DDGD	
N#CCCCNC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	784316775	BEBBIMZIVUXQOR-UHFFFAOYSA-N	312.333	1.120	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@H]1CCN(c2ccccc2)C1	899997312	PCOQOUAZZKWRNA-LBPRGKRZSA-N	320.462	1.807	50	20	DDGD	
Cn1cc(-c2ccc(F)c(C(=O)NNC(=O)C3CCC3)c2)cn1	782684463	PDKMJUORPJFLIS-UHFFFAOYSA-N	316.336	1.787	50	20	DDGD	
C[C@H]1CCC[C@@H](C(=O)NNc2ccccc2S(N)(=O)=O)C1	788228644	NZTDYBDXHINYCD-WDEREUQCSA-N	311.407	1.603	50	20	DDGD	
C=C(CBr)CN(C1CC1)[C@@H](C)CS(C)(=O)=O	791459660	RJFLIZDMLWZPBM-JTQLQIEISA-N	310.257	1.835	50	20	DDGD	
CSSCCNC(=O)N(C)[C@H](C)CS(C)(=O)=O	790881093	UKUXPQXUFBZCGX-MRVPVSSYSA-N	300.471	1.072	50	20	DDGD	
CSSCCNC(=O)C[C@@H](NC(N)=O)c1ccccc1	791099725	JCKGKINXKOMXOS-LLVKDONJSA-N	313.448	1.914	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNC(=S)NCC2CCC2)c1C	794275157	MKFMICRTJATBTC-UHFFFAOYSA-N	323.466	1.358	50	20	DDGD	
CCC/C=C\C(=O)NNC(=O)c1nnc(O)c2ccccc12	793028851	RWACRSXSECCZHN-WTKPLQERSA-N	300.318	1.453	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)C1CCCC1	793029542	VKCAJAQDVMPXJE-DJANDWOJSA-N	300.402	1.718	50	20	DDGD	
CSSCCNC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O	791100575	RTEIACFCCPAUCR-AOOOYVTPSA-N	316.448	1.289	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(C(N)=O)nn2)c(C)cc1Cl	795171305	HFYNWORZAVTGRI-UHFFFAOYSA-N	319.752	1.603	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCOc2ccccc2)n1	792760589	MAEWZJWLSMKDOG-UHFFFAOYSA-N	314.345	1.413	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)C(C)(C)n2cncn2)cc1	1326862375	AEQFGXGZZVGGCH-UHFFFAOYSA-N	301.350	1.828	50	20	DDGD	
Cn1nc2ccccc2c1C(=O)NNC(=O)c1cccc(C#N)c1	1320406917	CSHNRCFGQFERHG-UHFFFAOYSA-N	319.324	1.520	50	20	DDGD	
CC(=NNC(=O)C[N+](C)(C)C)c1c(Cl)cccc1[N+](=O)[O-]	1321100409	WMFYVLHFAQMWEJ-UHFFFAOYSA-O	313.765	1.795	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc(O[C@@H]2CCOC2)cc1	1321415859	KCVKDXODHYAHBO-CYBMUJFWSA-N	323.418	1.372	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)nn1	1326008004	PFDKWIFPEBRLID-HBNTYKKESA-N	302.378	1.832	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C[C@H]1CCO[C@H](C(C)C)C1	1325121740	SKITWTSRWGVERV-RYUDHWBXSA-N	301.456	1.731	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)c2cccnn2)[C@H](C)C1	1333197649	HAHPMOKZBIFKOD-GHMZBOCLSA-N	304.350	1.562	50	20	DDGD	
CC(C)(C)OCc1ccccc1NC(=O)NNC(=O)CCO	1333327414	KDPOIQYZVZOZRT-UHFFFAOYSA-N	309.366	1.537	50	20	DDGD	
COC(=O)N1CC(C)(NC(=O)[C@@H](Br)C(C)(C)C)C1	1337368941	RMEOLSOJMQHCJZ-MRVPVSSYSA-N	321.215	1.753	50	20	DDGD	
CCCc1n[nH]cc1C(=O)NNc1ccc(C(F)(F)F)nn1	1338275755	AHUDKJHHBBQVDP-UHFFFAOYSA-N	314.271	1.928	50	20	DDGD	
O=C(Nc1ccc(CNCc2ccccc2B(O)O)cc1)C1CC1	1349598924	DZQGRGGLEXAFOY-UHFFFAOYSA-N	324.189	1.005	50	20	DDGD	
C[C@@]1(Cn2nnnc2N2CC[C@H](F)C2)C[C@@H]1Br	1344955458	KXHWNKNCEANRND-NRPADANISA-N	304.167	1.395	50	20	DDGD	
CCOC(=O)c1ncc(C(=O)NNc2ccc(C#N)cc2)s1	1346556410	LQUQUIWSXBMGBW-UHFFFAOYSA-N	316.342	1.948	50	20	DDGD	
CN1CCCC[C@@H]1CNC(=O)NNC(=O)c1ccccc1F	1341279490	CZJQTJOEWNDENY-LLVKDONJSA-N	308.357	1.254	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CC2(CN(C(=O)OC(C)(C)C)C2)C1	1353355476	BDVGJSXUACZZSR-KPKJPENVSA-N	321.377	1.510	50	20	DDGD	
CCn1cc(Br)c(C(=O)NNC(=O)C2CCC2)n1	1520981502	FEIGNMUGOTYZOL-UHFFFAOYSA-N	315.171	1.227	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1ccc(Br)c(F)c1	1602072082	NQFOIGXRIWYWND-UHFFFAOYSA-N	318.102	1.306	50	20	DDGD	
Cc1c(F)ccc(C(=O)NNc2ccc(C(=O)O)cn2)c1N	1607534043	UBHMPOCXVUVTKR-UHFFFAOYSA-N	304.281	1.566	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)[C@@H]2CCc3cccnc32)cc1	1602127440	QOMNVAUWKQAYCQ-CQSZACIVSA-N	311.341	1.882	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc(-c2nn[nH]n2)c1C	1603995142	KABUNRRNQBDANF-MRVPVSSYSA-N	317.353	1.374	50	20	DDGD	
O=C(Cc1ccccn1)NNC(=O)Nc1ccc(C(=O)O)s1	1601370437	ZWMJEBXGIJAIRA-UHFFFAOYSA-N	320.330	1.237	50	20	DDGD	
O=C(NCC1CCC(c2ccccc2)CC1)NNC(=O)C(=O)O	1601480092	GCUKOLKFELSDAG-UHFFFAOYSA-N	319.361	1.375	50	20	DDGD	
O=C(Cc1ccc(C(=O)O)cc1)NNC(=O)NC1CCCCC1	1608359641	QUHJRMCBRKDYFT-UHFFFAOYSA-N	319.361	1.590	50	20	DDGD	
O=C(Cn1cc2ccccc2n1)NNc1ncccc1C(=O)O	1605725104	AFVHNDOOVBGBKS-UHFFFAOYSA-N	311.301	1.273	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@H]1CC[C@@H]2CCCCN21	1608828356	APHBGMVMGAXGGL-GXFFZTMASA-N	321.352	1.984	50	20	DDGD	
O=C(Cn1cc(C(=O)O)cn1)NNc1c(F)cccc1Cl	1601379457	SAHHYJNMLCJQRV-UHFFFAOYSA-N	312.688	1.517	50	20	DDGD	
O=C(O)CC1(C(=O)NNC(=O)CCc2ccccc2)CCC1	1606071539	HQGHSJLSTIDSDA-UHFFFAOYSA-N	304.346	1.412	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1csc(C)c1	1549316198	RSEQBQOUBKZNQH-UONOGXRCSA-N	307.419	1.760	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@@H]1c1nccn1C)[C@H]1CCCO1	1549308497	BVUDPKJLZSPSIX-MCIONIFRSA-N	320.393	1.559	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1csc(C)n1	1549315914	DAAQRDXRPBRLBW-AAEUAGOBSA-N	308.407	1.155	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)NN=Cc1cocn1	1549314133	HNMKZCMVWKALRC-WCQYABFASA-N	303.322	1.026	50	20	DDGD	
CCn1cc([C@H]2OCC[C@@H]2C=NNC(=O)C2CCOCC2)cn1	1552919457	JJJPLCGVXXEAAS-HIFRSBDPSA-N	320.393	1.509	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)C(C)(C)c1ccccc1)[C@@H](C)N	1575415635	UQRXRAQWNQGPPH-OCCSQVGLSA-N	305.422	1.731	50	20	DDGD	
C[C@H](N)c1ccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)cc1	1576164792	NLSOKVSTRSGERP-UWVGGRQHSA-N	306.435	1.614	50	20	DDGD	
C[C@H]1CN[C@H](C)CN1S(=O)(=O)c1ccc(CCl)cc1	1576814173	ZDBOSCMIRJHSTM-MNOVXSKESA-N	302.827	1.796	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1CCCNC1	1580732815	KCELANZISJXEDO-OUAUKWLOSA-N	321.343	1.502	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@@H](C(=O)O)C2CC2)cc1	1593711084	QPOULKWUCMVVFT-LBPRGKRZSA-N	320.349	1.016	50	20	DDGD	
C[C@@](CCF)(NCCCI)C(=O)O	1592505788	FPYZIMMMIWIDFL-QMMMGPOBSA-N	303.115	1.604	50	20	DDGD	
O=C(O)COCC(=O)NNc1ccc(Br)cc1F	1595106928	CTLMDKSPCQLJNO-UHFFFAOYSA-N	321.102	1.133	50	20	DDGD	
Cc1oc(-c2nn[nH]n2)cc1C(=O)NNc1ccc(Cl)cn1	1592501083	OJRPUXZUPBUYCT-UHFFFAOYSA-N	319.712	1.573	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC[C@@H](C(=O)O)C1)c1ccccc1Cl	1594783284	YMFSKBFLHFFOEK-DTWKUNHWSA-N	310.737	1.602	50	20	DDGD	
C[C@H](CC(=O)NNc1cccc(C(=O)O)c1F)n1cccn1	1592252914	QVWHTVBMUCYNDT-SECBINFHSA-N	306.297	1.815	50	20	DDGD	
C[S@@](=O)c1ccc(C(=O)NNc2ncccc2C(=O)O)cc1	1594177603	AFZJAVPOUMMSCX-JOCHJYFZSA-N	319.342	1.274	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNC(=O)c1ccccc1Cl)C(C)C	5703808	BHOZQJOGHWBWEX-GFCCVEGCSA-N	311.769	1.262	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccncc1	5756739	FLVGIOHVEYSWCA-UHFFFAOYSA-N	320.692	1.718	50	20	DDGD	
O=C(NNC(=O)C1(O)CCCC1)c1cc(-c2cccs2)n[nH]1	151084503	HXPUJGAATHNCDS-UHFFFAOYSA-N	320.374	1.204	50	20	DDGD	
Cc1nn(C)c2ncc(C(=O)NNc3cccc(C#N)c3)cc12	152396166	OAIHJJUAADDJTN-UHFFFAOYSA-N	306.329	1.905	50	20	DDGD	
O=C(NNC(=O)c1cc(F)cc2cccnc12)c1ccncc1	156379714	CPIUSAXSJAQGFY-UHFFFAOYSA-N	310.288	1.844	50	20	DDGD	
COCCC1(C(=O)NNC(=O)COCc2ccccc2)CCC1	156896311	DYMCKAFEIXJURZ-UHFFFAOYSA-N	320.389	1.557	50	20	DDGD	
O=S(=O)(NCCC1CC(O)C1)c1ccc(CCCl)cc1	702442014	QXOCVKQPEQSYQQ-UHFFFAOYSA-N	317.838	1.907	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1	7955252	GANUQXPIXGMRJI-CYBMUJFWSA-N	324.402	1.006	50	20	DDGD	
O=C(COc1ccccc1)NNC(=O)c1cc(Cl)ccc1O	10622777	YTNCRYWIGGCQNL-UHFFFAOYSA-N	320.732	1.886	50	20	DDGD	
CCCc1c(C(=O)NNc2ncccn2)[nH]c(C)c1C(=O)OC	52410527	KKDMVQKOAUGFOJ-UHFFFAOYSA-N	317.349	1.609	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1COCCO1	178473259	BYQPCIDKYOQINI-JTQLQIEISA-N	301.686	1.107	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)c2ccc(Cl)nc2)n(C)c1	58382134	DWRQFNWVVQTZIA-UHFFFAOYSA-N	320.736	1.351	50	20	DDGD	
CC(=O)NNC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1	174983811	FDYOOOSCIXGBEX-INIZCTEOSA-N	303.362	1.096	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCCn2ccnc2C)cc1	101628329	BJFDNNRBPBKDPA-UHFFFAOYSA-N	314.389	1.995	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NNc2cc(C)ncn2)C1	172283951	FNIAHUVGZKAYDH-WCQYABFASA-N	319.409	1.513	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)c1ccsc1	69834935	CTDQYFAECUQIKP-UHFFFAOYSA-N	320.370	1.987	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccn2C)cc1OC	24045649	WGKVMLLHKZJYIY-UHFFFAOYSA-N	303.318	1.117	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CNC(=O)OC(C)(C)C	67130448	RCKTZRZUEHVTRJ-UHFFFAOYSA-N	307.350	1.281	50	20	DDGD	
CC(C)N(CC(=O)NNC(=O)c1ccccc1Cl)C1CC1	173186920	JDFIILASYKQSPV-UHFFFAOYSA-N	309.797	1.974	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NNc2cccc3cnccc23)C1	178484527	IOKZGHHNYOOYCO-AWEZNQCLSA-N	312.373	1.936	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1cn(C)nc1C	113413098	PKVHVYCVHFNEMJ-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
COCCn1cc(C(=O)NNC(=O)C2CC2)c2ccccc21	62244520	LGZNCQQHCFNBTI-UHFFFAOYSA-N	301.346	1.459	50	20	DDGD	
CCSCc1ccc(C(=O)NNC(=O)c2cnn(C)c2)cc1	117681827	FQDYRXKFZXQXSX-UHFFFAOYSA-N	318.402	1.748	50	20	DDGD	
CCCCOCC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	118192025	GHQJDXHSYBQEJP-NSHDSACASA-N	312.341	1.557	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)CN(C)C)c1cccc(Cl)c1	175259092	ZWPWHODSDZXICC-CQSZACIVSA-N	311.813	1.789	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCc1ccncc1	67482579	GNUXDIWZCWQBMX-UHFFFAOYSA-N	300.318	1.234	50	20	DDGD	
C[C@H](CC(=O)NNc1cnccn1)C(=O)c1cccc(F)c1	174073076	OQCUCOQNPAUPHW-SNVBAGLBSA-N	302.309	1.968	50	20	DDGD	
Cc1ccc(NNC(=O)Cc2ccc(-n3cnnn3)cc2)cc1	120924581	WSYKEBCLSGXSAT-UHFFFAOYSA-N	308.345	1.657	50	20	DDGD	
CS(=O)(=O)CC1(CC(=O)NNc2ccc(Cl)cc2)CC1	120309892	WOCLSKYIXKSMLF-UHFFFAOYSA-N	316.810	1.998	50	20	DDGD	
CC[C@H](SC)C(=O)NNC(=O)CCc1ccc(OC)cc1	128838510	RQNGTUIABQBJAI-ZDUSSCGKSA-N	310.419	1.917	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)c1cc2ccccc2o1)C1CC1	121634898	LWHTVUACJFFPMN-GFCCVEGCSA-N	317.345	1.802	50	20	DDGD	
C[C@@H](C1CC1)N(CC(=O)NNC(=O)c1ccccc1)C1CC1	182043177	YMEPNWBUAVNURX-LBPRGKRZSA-N	301.390	1.711	50	20	DDGD	
O=C(COCc1ccccc1)NNS(=O)(=O)c1ccccc1	78307828	NANICUBUMQGLDS-UHFFFAOYSA-N	320.370	1.213	50	20	DDGD	
C[C@H](C(=O)NN(C)C(N)=O)c1ccc(Br)cc1	182643217	RFHFNVFOICEHIX-ZETCQYMHSA-N	300.156	1.594	50	20	DDGD	
O=C(/C=C/c1ccc(Cl)s1)NNC(=O)Cc1cc[nH]n1	186139890	YAUGKKTWLHVVEE-DUXPYHPUSA-N	310.766	1.528	50	20	DDGD	
COc1ccnc(NNC(=O)COc2cc(C)ccc2F)n1	128859573	JRAZWLMJNKVNNA-UHFFFAOYSA-N	306.297	1.455	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccccc1)C(C1CC1)C1CC1	182170862	MYMKOLDILIWNMB-UHFFFAOYSA-N	301.390	1.568	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CC(C)(C)C)cc1C(N)=O	184806898	VKXNUSNHZGHVBI-UHFFFAOYSA-N	306.366	1.683	50	20	DDGD	
C[C@H]1CC[C@H](CCC(=O)NNc2nc3ccccc3c(=O)[nH]2)O1	137184393	MIRZBYXKISVCQC-WDEREUQCSA-N	316.361	1.714	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cnn(-c2ccccc2)c1C1CC1	44667553	JMNXMGUNUMRVOU-UHFFFAOYSA-N	310.357	1.921	50	20	DDGD	
COCCCCNC(=O)NNC(=O)COc1cccc(C)c1	46735374	ATGXICNJMJBEQN-UHFFFAOYSA-N	309.366	1.131	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1NCC(=O)NNC(=O)c1ccc(F)cc1	194668904	SITVOLDQKIZLTM-RISCZKNCSA-N	307.369	1.755	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)C1=CCOCC1	192463830	ZMRDPXYTAPOMDM-UHFFFAOYSA-N	310.353	1.876	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCOC1)c1cc(Cl)ccc1Cl	49353280	KAKXXKSVMWFRCC-SSDOTTSWSA-N	303.145	1.791	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1cccc(C(=O)O)c1Cl	195318928	WKNFPOIUAASKHQ-RMKNXTFCSA-N	314.750	1.794	50	20	DDGD	
O=C(Cc1cccc([N+](=O)[O-])c1)NNc1nc2ccccn2n1	191886079	LWCDLMGHDGCLIT-UHFFFAOYSA-N	312.289	1.323	50	20	DDGD	
CSc1ccccc1C(=O)NNC(=O)NCC(F)(F)F	193679728	NJLZNMQEXPHXHE-UHFFFAOYSA-N	307.297	1.915	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NNc1nc2ccccn2n1	194897906	YSSGLSRZRJPQSQ-FMIVXFBMSA-N	320.312	1.485	50	20	DDGD	
Cc1nn(C)c(Cl)c1C(=O)NNC(=O)NC1CCCCC1	192965025	YBESTTGTHXLNHU-UHFFFAOYSA-N	313.789	1.659	50	20	DDGD	
COc1ccc(C=NNC(=O)Cn2nc(C)cc2C)c(OC)c1	252611379	IJPBNDAUYVVVNX-UHFFFAOYSA-N	316.361	1.667	50	20	DDGD	
C=CCCC(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	263642039	CSALWAFASAWCFX-UHFFFAOYSA-N	308.334	1.440	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H]1COc2ccccc2O1)C1CC1	263900487	RCJSWFZJKRGNJA-TVQRCGJNSA-N	321.402	1.120	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)[C@@H]1OC[C@@H]2CCC[C@@H]21	368160276	PCIVBARBPPVTGU-OUJBWJOFSA-N	314.345	1.594	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCc1cncnc1N	274373945	LJWXCMSMXHFVEJ-MRVPVSSYSA-N	301.188	1.485	50	20	DDGD	
COc1cc(C)c(NC(=O)C(=O)NNC(=O)C2CCC2)cc1F	274856988	WWMNOVNAUWGKCL-UHFFFAOYSA-N	323.324	1.029	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CSc1nc2ccccc2o1	272645636	FIZORJWCGPMWOO-UHFFFAOYSA-N	308.363	1.612	50	20	DDGD	
COCCCNC(=O)NNC(=O)C1(Cc2ccc(F)cc2)CC1	275689825	IGBMUFQPFUVMMR-UHFFFAOYSA-N	323.368	1.515	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H]2CCN3CCC[C@@H]3C2)n1	371831183	TWSSKIVGNAHUOB-NWDGAFQWSA-N	320.397	1.047	50	20	DDGD	
C=CCCCCCCNC(=O)NNC(=O)C(=O)N1CCCC1	288102630	USLUGUSNZATTMK-UHFFFAOYSA-N	310.398	1.076	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2cnn(C)c2)c(C)cc1C	280610642	XUXPILVNLZYDPL-UHFFFAOYSA-N	317.349	1.512	50	20	DDGD	
Cc1cc(O)nc2cc(C(=O)NNC(=O)NC3CC3)ccc12	291534608	NZEZHPAZDMNGIK-UHFFFAOYSA-N	300.318	1.355	50	20	DDGD	
COc1ccc(OC)c(CNC(=O)NNC(=O)CC(C)C)c1	298653903	KGONXHFGTUKEOO-UHFFFAOYSA-N	309.366	1.580	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C[C@H]1COc2ccccc2O1	295062296	KUWUGHCQOOMNFR-NSHDSACASA-N	306.362	1.800	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CSC(F)F)cc1	294305336	IWCFCHBEKZJEAD-UHFFFAOYSA-N	317.317	1.037	50	20	DDGD	
O=C(CSc1nnc(S)s1)NNc1ncccc1F	804214133	RFUYKGFFOSEZSF-UHFFFAOYSA-N	317.396	1.596	50	20	DDGD	
Cc1noc([C@@H]2CCCN2C(=O)NNC(=O)C2CCCC2)n1	805351620	KJQRGYDTRLPMSD-NSHDSACASA-N	307.354	1.446	50	20	DDGD	
C[C@H](CCC1CC1)NC(=O)NNc1ccc(-n2ccnc2)nn1	805298448	RTGPLCQFMNQCMN-LLVKDONJSA-N	315.381	1.867	50	20	DDGD	
O=C(CNC(=O)C1CC1)NNC(=O)Nc1ccc(Cl)cc1	802015130	DONPBHSTQLIXIA-UHFFFAOYSA-N	310.741	1.019	50	20	DDGD	
O=C(NNC(=O)C1CC(F)(F)C1)Nc1ccc2c(c1)OCO2	802105374	USIKHTHKLKOYIC-UHFFFAOYSA-N	313.260	1.613	50	20	DDGD	
C=CCC(C)(C)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1	292643084	KMEVBSAUARYLOB-UHFFFAOYSA-N	324.402	1.453	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@@H]2CCCCO2)cc1	299222793	UVOKFPKWHSLTMU-AWEZNQCLSA-N	305.378	1.762	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)c2cocn2)c1	802116192	UQXCUWXQYZUSRM-UHFFFAOYSA-N	310.697	1.803	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ccnc2ccncc12	807061577	UFQDXZKCAJNKQP-UHFFFAOYSA-N	310.273	1.690	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)CSC(F)F	299268884	ZTTQULUPVWQVGY-UHFFFAOYSA-N	318.345	1.731	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)c1ccccc1F	293833608	GHCNQHWGMQOUMH-YNZJMPHRSA-N	324.352	1.402	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@@H](C)Cn2cccn2)cc1	297205238	WLXDITHXKCBDLA-LBPRGKRZSA-N	303.366	1.997	50	20	DDGD	
COCCN(C)NC(=O)Cc1ccc(Br)c(F)c1	294263533	FPZRSYGCDYYXJC-UHFFFAOYSA-N	319.174	1.740	50	20	DDGD	
CCOc1ccc(OCCCC(=O)NN(C)CCOC)cc1	293768720	ZRLYMQXJNJLELG-UHFFFAOYSA-N	310.394	1.854	50	20	DDGD	
CCNC(=O)NNC(=O)c1nn(-c2ccc(F)cc2)cc1C	801140142	BVRXLFJYBLEKJK-UHFFFAOYSA-N	305.313	1.284	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCN2CCSCC2)cc1	297220323	LVEJGTNKRUHHAH-UHFFFAOYSA-N	324.450	1.760	50	20	DDGD	
CSCCNC(=S)NNC(=O)CCCOC(C)(C)C	802985507	GXIGUTRNUMPNHW-UHFFFAOYSA-N	307.485	1.440	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)on1	814684384	QQDAVHBFQVUPTA-UHFFFAOYSA-N	318.245	1.133	50	20	DDGD	
C[C@H]1C[C@H](CCNC(=O)NNc2ncncc2F)C[C@@H](C)O1	814330412	HCLSUPNQBGNUML-JGPRNRPPSA-N	311.361	1.836	50	20	DDGD	
COc1ncc(C=NNC(=O)CCc2ccccc2O)s1	812225485	FQKQWIHCPVNTKD-UHFFFAOYSA-N	305.359	1.940	50	20	DDGD	
O=C(NN=C1CCCc2sccc21)[C@@H]1CCS(=O)(=O)C1	814781602	LIHSOFSPESNION-SECBINFHSA-N	312.416	1.339	50	20	DDGD	
COCCC(COC)=NNC(=O)c1nnc(O)c2ccccc12	812224055	YOTIFSCCDMDJFF-UHFFFAOYSA-N	318.333	1.104	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=Cc1ccn(C)n1	814744678	ZEWIENIVYVWCSF-UHFFFAOYSA-N	310.361	1.483	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1sccc1-n1cnnn1	817006003	RSEXMUJXSIUZFY-UHFFFAOYSA-N	321.753	1.529	50	20	DDGD	
CC(=NNC(=O)c1nnc(-c2ccccc2)o1)c1cnnn1C	814816377	SOIQGNOACYVFTE-UHFFFAOYSA-N	311.305	1.019	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1cnn2c1OCCC2	815187036	MHOAZQMJWJQMAY-UHFFFAOYSA-N	314.345	1.059	50	20	DDGD	
COC(=O)C[C@@H]1CCC(=NNC(=O)N=c2cc[nH]cc2)[C@@H]1C	815002112	MTESTPKDZGYSGL-MNOVXSKESA-N	304.350	1.590	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@H](C)NS(C)(=O)=O	812764804	IHOCBEKDQOLRSR-NSHDSACASA-N	313.423	1.499	50	20	DDGD	
CCO[C@@H]1COC[C@H]1NC(=O)/C(C#N)=C\c1ccc(O)cc1	491163819	YIJRPBXSFGOUSV-UZSWLCPZSA-N	302.330	1.219	50	20	DDGD	
CC(C)OC(=O)/C(C#N)=C\c1ccc(-c2nn[nH]n2)cc1F	820138630	ZUIXBAJLOMWUPI-WZUFQYTHSA-N	301.281	1.864	50	20	DDGD	
Cc1ccc2c(c1)CC[C@@H]2NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	825761697	QFCKZXRKNDEMKR-LNSITVRQSA-N	317.389	1.738	50	20	DDGD	
Cc1nc2cc(F)cc(C(=O)NN(C)[C@@H](C)CO)c2nc1C	823971086	OHHRLQAEOIXGCU-QMMMGPOBSA-N	306.341	1.343	50	20	DDGD	
CN1C(=O)C(=NNC(=O)CCc2ccccc2O)c2ccccc21	729935189	MNNLFAMCDZXWGK-UHFFFAOYSA-N	323.352	1.822	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1	823874329	RCJLDXZKOOFVDP-UHFFFAOYSA-N	302.378	1.653	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)[C@H]1CCN1C1CCCC1	825003905	GCWLLRONGMZARI-SECBINFHSA-N	315.286	1.822	50	20	DDGD	
Cc1ccccc1-c1nc(C(=O)N2CC[C@@H](B(O)O)C2)cs1	585066781	PSQLJQIRYXHOBJ-LLVKDONJSA-N	316.191	1.807	50	20	DDGD	
OB(O)c1ccc(CN[C@@H](c2ccc(F)cc2F)C2CC2)o1	585026840	RZOYGMSWWNLFEZ-OAHLLOKOSA-N	307.105	1.479	50	20	DDGD	
CN(NC(=O)CCn1c(S)nnc1-c1cccs1)C1CC1	822434279	QYKJTZABYFHVBX-UHFFFAOYSA-N	323.447	1.811	50	20	DDGD	
CCN(CCO)NC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCC1	823893323	FLOFAWJXVQNTTF-GFCCVEGCSA-N	315.414	1.025	50	20	DDGD	
Cc1c(CS(C)(=O)=O)cccc1NC(=O)NN(C)C1CC1	824194246	UMBGAPUIJZIDTG-UHFFFAOYSA-N	311.407	1.670	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NN(CC)CCO	823888919	AKLDNEJSDUZKRP-GFCCVEGCSA-N	317.430	1.367	50	20	DDGD	
CC(C)(CNCc1ccc(B(O)O)cc1F)[C@@H]1CCCCO1	585031864	YYYNBSFULDGBPC-HNNXBMFYSA-N	309.190	1.190	50	20	DDGD	
COc1ccc2c(c1)CCCN2CC(=O)NNC(=O)C(C)C	827377919	HULMEZWWKUAMNV-UHFFFAOYSA-N	305.378	1.251	50	20	DDGD	
C=CCC(F)(F)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	496577608	LUEAZYLXLXIGET-UHFFFAOYSA-N	321.324	1.260	50	20	DDGD	
COc1cccc(C2(CNCc3cccc(B(O)O)c3)CC2)c1	585041932	XJCXWZINCHOYKS-UHFFFAOYSA-N	311.190	1.196	50	20	DDGD	
OB(O)c1ccccc1CNCc1cc2c(s1)CCSC2	585030933	LQIHLIKQRGLYKJ-UHFFFAOYSA-N	319.260	1.507	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@@H]1C[C@H]1C(=O)O	739215852	HKIHHPIIDSTJAJ-WSQOEHMBSA-N	320.389	1.461	50	20	DDGD	
CN(NC(=O)c1cccc(C#CCO)c1)C(=O)OC(C)(C)C	909942279	UYVNRCZDTFYHRI-UHFFFAOYSA-N	304.346	1.542	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)n1	820523821	SKPDVCXLFNFLJR-YNEHKIRRSA-N	317.393	1.231	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CCn2cccn2)c1C	824126230	UGHPABDKAOBMSW-UHFFFAOYSA-N	317.418	1.908	50	20	DDGD	
CC(C)NC(=O)OC1CN(C(=O)[C@@]2(C)C[C@H]2Br)C1	908215486	WGYXGOJXJIETDB-SKDRFNHKSA-N	319.199	1.505	50	20	DDGD	
O=C(c1cc(-c2cccc(Cl)c2)on1)N1CC[C@H](B(O)O)C1	585070004	VAHXTLUZJLSGCP-JTQLQIEISA-N	320.541	1.684	50	20	DDGD	
N#CCCCCNC(=O)NNc1cccc(-c2nn[nH]n2)c1	737687886	NPPBXZNWFZAHIZ-UHFFFAOYSA-N	300.326	1.187	50	20	DDGD	
CCOC(=O)N[C@@H](C(=O)NNc1ncncc1Cl)C(C)C	495511411	RJMVZMZBFWIPSK-SECBINFHSA-N	315.761	1.344	50	20	DDGD	
COC(=O)NNC(=O)Cc1ccc(OC)c(OC)c1Cl	496938105	AEOOUJCAMBBGHL-UHFFFAOYSA-N	302.714	1.287	50	20	DDGD	
COc1ccc2cc(C(=O)N3CC[C@H](B(O)O)C3)c(C)nc2c1	585071964	FGTXTMJDRYRQAW-LBPRGKRZSA-N	314.150	1.241	50	20	DDGD	
CC(C)(C)C(C)(C)CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	838602170	PYGCEGZHHACGPM-AWEZNQCLSA-N	319.471	1.440	50	20	DDGD	
C[C@@H](c1cccnc1)N(C(=O)c1cccc(B(O)O)c1)C1CC1	584939080	GHRPGSGXRFLMPT-LBPRGKRZSA-N	310.162	1.127	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1nccs1	732621729	GWLAJJSIPOQZJM-LBPRGKRZSA-N	303.343	1.823	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)OC(C)(C)C)C(F)(F)F	733663072	SMGFOMKECMVWDC-LURJTMIESA-N	301.265	1.303	50	20	DDGD	
O=C(NN=C1CCN(Cc2ccccc2)C1=O)[C@H]1CCCCO1	834989034	OSFBJEYECZLVQB-OAHLLOKOSA-N	315.373	1.460	50	20	DDGD	
CN(C)CC1CCN(C(=O)[C@]2(C)C[C@@H]2Br)CC1	906673000	ANJRSFOPCBONHR-WCQYABFASA-N	303.244	1.960	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@@H](CCO)Cc2ccccc2)cn1	831786869	CRWREDJVLSPCIG-NDCSFFLDSA-N	324.384	1.437	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2cccc(C#N)c2)C[C@@H]1Br	906565787	JIJXGQSMYAZMHX-GWCFXTLKSA-N	322.162	1.493	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc2ncsc2c1	732084206	QZAUYTNWJRMRPW-UHFFFAOYSA-N	301.331	1.403	50	20	DDGD	
CC(=O)N(c1nc(C=NNC(=O)C2CCC2)cs1)C1CC1	734298920	GGJNYFGWXWUYKP-UHFFFAOYSA-N	306.391	1.909	50	20	DDGD	
CC(C)(C)C[C@H]1CCCN1C(=O)c1ccc(B(O)O)c(F)c1	584938076	VTXZRIZDMSTIJI-GFCCVEGCSA-N	307.174	1.546	50	20	DDGD	
COc1ccc(C)cc1C(C)=NNC(=O)[C@@H]1CCS(=O)(=O)C1	730577430	TVTHHBJUQYQDOJ-GFCCVEGCSA-N	324.402	1.279	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21)c1ccc(Cl)cc1F	906888202	AKTAJCSBFDEIGU-XXILOJSOSA-N	310.712	1.465	50	20	DDGD	
CC(C)(O)COc1ccc(NCc2cccc(B(O)O)c2)cc1	585015897	CPFRRSLEQWRCLQ-UHFFFAOYSA-N	315.178	1.128	50	20	DDGD	
COCCN(C)NC(=O)CN[C@H](c1ccccc1)C(F)(F)F	837624644	YEFMERGKMBIEJJ-CYBMUJFWSA-N	319.327	1.489	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CC(C)(C)C[C@H]1C	839658647	POPVICJKPLOBPP-CQSZACIVSA-N	317.433	1.805	50	20	DDGD	
CC(C)CCNC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1cnn(C)c1	837968545	DWOGHAKEIAGXFA-AISSWFOISA-N	318.377	1.421	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@H]1CCN(C2CC2)C1	734285397	MHZYZNTZJDEQPF-LBPRGKRZSA-N	317.393	1.567	50	20	DDGD	
O=C(NNc1cccc2c1CCCC2)c1nc2ncccn2n1	830802105	UINKTDBLPXLKIR-UHFFFAOYSA-N	308.345	1.760	50	20	DDGD	
O=C(NN=Cc1cnc2ccc(Br)cn12)C1CC1	735971281	WMVPGOWDZRHRLS-UHFFFAOYSA-N	307.151	1.957	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc2cc(F)ccc2o1	833250218	DOMSBZUEXBPEBA-GFCCVEGCSA-N	306.293	1.902	50	20	DDGD	
Cn1cc(CCC=NNC(=O)[C@H]2COc3ccccc3O2)cn1	834918301	RYADGIOEIUGQPG-OAHLLOKOSA-N	314.345	1.295	50	20	DDGD	
CC(=O)Nc1cccc(CNC(=O)NNC(=O)c2ccc[nH]2)c1	916373681	MSQMXZNRKZUSNX-UHFFFAOYSA-N	315.333	1.117	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2CCC(=O)NC2)c1C	916163905	FXOFIQOVXPCJTD-NSHDSACASA-N	320.418	1.147	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCS(=O)(=O)CC)cc1	836368390	OORQWPJKPTVBOX-UHFFFAOYSA-N	315.395	1.146	50	20	DDGD	
C[C@H](N)C[C@H](C)NC(=O)NNC(=O)Cc1c[nH]c2ccccc12	831196605	CTFPDRPGDJCHQC-QWRGUYRKSA-N	317.393	1.167	50	20	DDGD	
CCn1[nH]c(C)nc1=NC(=O)[C@@H](Br)C(C)(C)C	912165237	KDTACYHDIUIZOQ-MRVPVSSYSA-N	303.204	1.776	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)NC(=O)NNc1cccc(Cl)n1	836631981	HGYNYKODARAKIQ-VIFPVBQESA-N	308.773	1.726	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNc1cc(O)nc2ncccc12	913988507	YUSAEYWREDXYGL-GFCCVEGCSA-N	304.350	1.840	50	20	DDGD	
Cc1nc(C(C)C)ncc1C(=O)NNC(=S)N[C@@H](C)C1CC1	912159235	DLCPAVMXVPZBPA-VIFPVBQESA-N	321.450	1.816	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=S)NCC2CCC2)c(C)n1	912111715	XMHCUVZERCIZCP-UHFFFAOYSA-N	306.435	1.916	50	20	DDGD	
Cc1cc(C)n([C@H](C)CC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n1	843640993	AXAJMRFQYFFVSV-FRRDWIJNSA-N	308.382	1.023	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNc2nnc(C)c(O)n2)o1	746865107	ZRDCACXERVQTTI-UHFFFAOYSA-N	320.353	1.077	50	20	DDGD	
Cc1nc(N2CCOCC2)sc1C(=O)NN=Cc1ccco1	916339721	UHOOMGWQJUSWCS-UHFFFAOYSA-N	320.374	1.645	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)C(=O)Nc1ccc(C)cc1	749761115	YXEGSGJUTCSHKX-SNVBAGLBSA-N	308.407	1.227	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H](O)[C@H](C)c2ccc(C)cc2)n1	748023982	IVBBSLRTNPNOBY-RISCZKNCSA-N	316.361	1.401	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)C2SCCCS2)c1	841106664	JSNFPHSERFSSNE-UHFFFAOYSA-N	307.400	1.515	50	20	DDGD	
CC(C)c1nn(C)c2sc(C(=O)NN(C)C[C@@H](C)O)cc12	910164724	XVWYLLSZFGXQTH-SECBINFHSA-N	310.423	1.716	50	20	DDGD	
CNCCCNC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	841916071	YURLASDNHCOXPL-JTQLQIEISA-N	324.450	1.426	50	20	DDGD	
O=C(CC1CCCCC1)NCC(=O)NNC(=O)NC1CCCC1	748726103	KLYAHVRSGBIERO-UHFFFAOYSA-N	324.425	1.346	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H](C)Oc2ccccc2F)n(C)n1	841612050	DPSZMFUTJSLLCN-NSHDSACASA-N	304.325	1.785	50	20	DDGD	
CCc1ncc(C=NNC(=O)c2ccc(OC)c(OC)c2)cn1	841602791	BXLWHFOJMJTMKR-UHFFFAOYSA-N	314.345	1.820	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C1CC1	743842288	SMZXOYDKSBKRKD-CQSZACIVSA-N	319.380	1.595	50	20	DDGD	
COC(=O)[C@@H]1CN(CCI)C[C@H]1C1CC1	844479657	PUHXQOZMJGZPAE-VHSXEESVSA-N	323.174	1.552	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)NC2CCNCC2)cc1	841916295	SXLUJOWYXUSTJF-UHFFFAOYSA-N	322.434	1.170	50	20	DDGD	
Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNC(=O)NC1CCCCC1	746819827	CTQKWMXDAIWBCL-SNVBAGLBSA-N	321.425	1.804	50	20	DDGD	
COCCNCCNC(=O)NNc1ccc(Cl)c(F)c1	841968330	OEJURYFEUDTASN-UHFFFAOYSA-N	304.753	1.341	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CC=CCC1	846123194	UQSPWZKTHBBPCC-OAHLLOKOSA-N	312.366	1.784	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(Cl)c1	843652767	KZTVCNDOTKNCCQ-ZYHUDNBSSA-N	310.781	1.763	50	20	DDGD	
CO[C@H](C=NNC(=O)Nc1ccc2c(c1)OCO2)[C@H]1CCOC1	841641594	YXKBYCGJOVSDSB-IINYFYTJSA-N	321.333	1.574	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1ccc(C)c([N+](=O)[O-])c1	748254227	XDJVMBWMYROVJL-GFCCVEGCSA-N	323.349	1.795	50	20	DDGD	
CCc1ccc(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1	920379989	DQYCMYNWRPWRPY-ZDUSSCGKSA-N	309.391	1.069	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)c1nccn2ccnc12	743332571	GKKHPPJGWJZFLP-UHFFFAOYSA-N	323.356	1.513	50	20	DDGD	
O=C(NN=Cc1ccc(C2CC2)cc1)[C@H]1CCS(=O)(=O)C1	841617502	XTIFSXBHUUDNGF-AWEZNQCLSA-N	306.387	1.449	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)c2cccc(OC(F)F)c2)C1	843788694	HNDLMTRIZYNPMD-SECBINFHSA-N	312.272	1.418	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cc(Br)c[nH]1	842550027	USZVLGZLVLMHKP-OIBJUYFYSA-N	300.156	1.652	50	20	DDGD	
COc1c(C(=O)NNc2ccc([N+](=O)[O-])cc2)c(C)nn1C	747986662	WJQIPGXQWVOLFZ-UHFFFAOYSA-N	305.294	1.402	50	20	DDGD	
Cc1ncoc1CNC(=O)NNC(=O)C(C)(C)c1ccccc1	923804547	NCZRDNBMITYVOF-UHFFFAOYSA-N	316.361	1.791	50	20	DDGD	
C#CCOc1cccc(NC(=O)NNC(=O)CC(F)(F)F)c1	756475010	GOBCFZROLAXIAO-UHFFFAOYSA-N	315.251	1.804	50	20	DDGD	
C[C@@H]1C(=O)N(C[C@@]2(C)C[C@H]2Br)C(=O)N1C1CC1	857227615	QUSNRJJSSNABMZ-JWKOBGCHSA-N	301.184	1.975	50	20	DDGD	
CC(=O)N[C@@H](CCC(C)C)C(=O)NNC(=O)CC1CCCC1	857090496	TZIJLVCSJWVMJU-AWEZNQCLSA-N	311.426	1.655	50	20	DDGD	
Cn1cc(C=NNC(=O)c2ccc(N)cc2)c(-c2ccncc2)n1	920358604	WNCBCSRFNXXGOJ-UHFFFAOYSA-N	320.356	1.828	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1cccc([N+](=O)[O-])c1C	755405418	MXFNVMZWVCXYKZ-UHFFFAOYSA-N	318.293	1.401	50	20	DDGD	
CN1C(=O)CC[C@H]1C(=O)NNc1cc(C(F)(F)F)ccc1F	752659902	GVJVUSCBMKGCGG-JTQLQIEISA-N	319.258	1.908	50	20	DDGD	
CCCNC(=O)NN=Cc1cc(OC)c(OC(C)=O)c(OC)c1	920989772	SOAHBIUMCKNNRL-UHFFFAOYSA-N	323.349	1.672	50	20	DDGD	
CCN(CCO)c1ccc(C=NNC(=O)NCC2CC2)c(C)c1	920828986	KOMCOBZSXZPTOM-UHFFFAOYSA-N	318.421	1.857	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)c1ccco1	855831411	QWGJBKWRSFOCOM-LLVKDONJSA-N	323.393	1.473	50	20	DDGD	
Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccs2)nc1	753482187	NXMGTBPYYZMDPR-UHFFFAOYSA-N	319.342	1.070	50	20	DDGD	
COC(=O)Cc1occc1C(=O)NNC(=O)c1ccccc1F	752972381	AXXRVINUXGFPIY-UHFFFAOYSA-N	320.276	1.209	50	20	DDGD	
COc1cc(F)cc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c1	853390715	JSTSZNHERLQBRM-HIFRSBDPSA-N	321.352	1.148	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2cccc(C(=O)O)c2)CC[C@H]1C(=O)O	853425894	IEEZFZGXCYRBGF-NOZJJQNGSA-N	318.329	1.991	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(-n2cncn2)c(F)c1	920829638	JGCHHSXMXWDTKF-UHFFFAOYSA-N	320.328	1.076	50	20	DDGD	
COc1ccc(C=O)c(OCC(=O)NCCCSC#N)c1	854362548	ROUSGSVFXHUHSB-UHFFFAOYSA-N	308.359	1.607	50	20	DDGD	
CN(CCNC(=O)N(C)C)C[C@H](CBr)C1CC1	859222830	NDGQNWNEQBABPI-NSHDSACASA-N	306.248	1.611	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2ccc(O)c(Cl)c2)c[nH]1	753166311	FOUQJFINMNAZOY-UHFFFAOYSA-N	321.720	1.924	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1ccc(Cn2cccn2)o1	757417910	VNVXRQTWABMANF-UHFFFAOYSA-N	317.736	1.752	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1ccc(Br)cc1O	756827002	OOFBATFGDZCOSD-UHFFFAOYSA-N	314.183	1.557	50	20	DDGD	
C=CCN(CC(=O)NNC(=O)c1cccc(C)c1)[C@@H](C)COC	852356504	GJOPNDIBSAFWSJ-AWEZNQCLSA-N	319.405	1.279	50	20	DDGD	
NCC[C@H]1CN(S(=O)(=O)CBr)c2ccccc21	850586670	BSZAPFOBECDEBL-VIFPVBQESA-N	319.224	1.621	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc([N+](=O)[O-])cc1F)c1ncn(C)n1	854012054	FQYWDLAMOCOYRA-ZETCQYMHSA-N	323.288	1.250	50	20	DDGD	
Cc1cc(NNC(=O)[C@@]2(C)CC(c3ccccc3)=NO2)ncn1	857127570	UIYNQTJVWWPGRZ-MRXNPFEDSA-N	311.345	1.811	50	20	DDGD	
Cn1nncc1NNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F	857273157	MQPXJEIBDDNTMO-UHFFFAOYSA-N	322.300	1.283	50	20	DDGD	
C[C@@H]1CCCC[C@H]1OCC(=O)NNC(=O)OCC(F)(F)F	856023411	IGVIVOLTPLRZRC-RKDXNWHRSA-N	312.288	1.901	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1cnc[nH]1	750863215	XDDRPTYZMICKPY-UHFFFAOYSA-N	302.378	1.777	50	20	DDGD	
COCCN(C)CCNC(=O)NNc1cc(F)cc(Cl)c1	853646354	QJLOCDXEYVYHQU-UHFFFAOYSA-N	318.780	1.683	50	20	DDGD	
Cc1nn(C(C)C)cc1C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	853390403	WWBXWDGENVRYOW-CABCVRRESA-N	319.409	1.086	50	20	DDGD	
CC(C)Cn1cccc(C(=O)NNC(=O)C2CCCC2)c1=O	930134374	PVIIJCNPBXMENO-UHFFFAOYSA-N	305.378	1.456	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCC2(O)CCC2)cc1	864489921	SFUDXXWTTPNIMR-UHFFFAOYSA-N	306.362	1.216	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@H]2CCC(=O)N2)c2c(O)ccc(F)c21	863145111	JQJVONFHHNTILU-VXNVDRBHSA-N	305.309	1.137	50	20	DDGD	
C[C@@H](CC(=O)NNCC(F)(F)C(F)(F)F)n1cccn1	863102362	ZZPNSYBUWDWKAB-ZETCQYMHSA-N	300.231	1.653	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ccc2c(c1)CCCO2	863147528	ICULCFHOGCUPEU-AWEZNQCLSA-N	315.373	1.521	50	20	DDGD	
COCCOCC(=O)NNC(=O)/C=C(/C)c1cccc(F)c1	869910217	PKODWRXGAAKRGS-FLIBITNWSA-N	310.325	1.039	50	20	DDGD	
COc1nccnc1NNC(=O)Cc1ccc(C(C)=O)cc1	764466009	RISGBSXSYFAIEF-UHFFFAOYSA-N	300.318	1.374	50	20	DDGD	
Cc1ccc(CCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1Cl	862450581	WTAUJZKTYSVWPD-LBPRGKRZSA-N	323.780	1.007	50	20	DDGD	
CC[C@@](C)(O)C(=O)NNC(=O)c1cccc(Br)c1	933659199	CBSXYUBZCYWHHQ-GFCCVEGCSA-N	315.167	1.371	50	20	DDGD	
COc1ccc(COCC(=O)NN[C@@H](C)C(F)(F)F)cc1	862308863	GBKIKYHRVCJMOI-VIFPVBQESA-N	306.284	1.783	50	20	DDGD	
Cc1ccc(-n2cnnc2)c(C(=O)NN[C@H](C)C(F)(F)F)c1	862317929	MJMUKNTZJVJYGN-SECBINFHSA-N	313.283	1.761	50	20	DDGD	
COc1nccnc1NNC(=O)Cc1ccn(-c2ccccc2)n1	764466010	RKBZVENNYSDJIZ-UHFFFAOYSA-N	324.344	1.357	50	20	DDGD	
O=C(CCCc1ccc(Cl)cc1)NNC(=O)[C@H]1CCC(=O)N1	862452342	JWKAEMOHVOMKKI-GFCCVEGCSA-N	323.780	1.089	50	20	DDGD	
CS/C=C\C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1	763158394	OVTHEOOIOLMWPD-XQRVVYSFSA-N	308.388	1.776	50	20	DDGD	
COCCOCC(=O)NNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	869907971	GZXXGCUINZXREJ-MGPQQGTHSA-N	312.410	1.403	50	20	DDGD	
O=C1NCC[C@]1(C(=O)NNc1cccnc1Cl)C1CCCC1	861985906	FTCIRADKVKSMDJ-HNNXBMFYSA-N	322.796	1.875	50	20	DDGD	
Cc1cccc(NNC(=O)c2cn(CC3(C)COC3)nn2)c1	760166038	PNORHKFKFVVSRH-UHFFFAOYSA-N	301.350	1.380	50	20	DDGD	
CNC(=O)c1ccc(C(=O)NNc2nc3ccccc3[nH]2)cn1	768494739	FEENHUUGKWYLHA-UHFFFAOYSA-N	310.317	1.074	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN[C@@H](C(C)(C)C)C(F)(F)F	766866969	CVGHSOBUSDUSNW-VIFPVBQESA-N	311.348	1.747	50	20	DDGD	
Cc1ccc2ncc(C(=O)NN[C@@H](C)C(F)(F)F)c(=O)n2c1	862308069	XDOWWAFAIBCXQZ-QMMMGPOBSA-N	314.267	1.188	50	20	DDGD	
CCCNC(=O)/C(C#N)=C\c1cc(C(=O)O)c(OC)cc1OC	863179484	JSODBJUQKKRJJD-WDZFZDKYSA-N	318.329	1.835	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1	867351825	JUGXSEFIFFSQLU-WRWGMCAJSA-N	305.827	1.466	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)COC(=O)C=C1CCC1	767377167	ZVIYZGTWQSXQBU-UHFFFAOYSA-N	316.357	1.338	50	20	DDGD	
CCC[C@H](CC1CCCC1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1	862456032	UMCNFAHMPXGNIV-OLZOCXBDSA-N	309.410	1.409	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)OCCCS(N)(=O)=O	766750151	GMJPIEBMVGYVGI-ZETCQYMHSA-N	316.217	1.018	50	20	DDGD	
O=S(=O)(N[C@H]1C[C@@H](O)C1)c1ccc(CCCCl)cc1	867373943	UEQLBVIJKCRCPL-TXEJJXNPSA-N	303.811	1.660	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)NC(C)C)c(N)c([N+](=O)[O-])c1	1116208719	FECVBODXRLJYHG-UHFFFAOYSA-N	311.367	1.003	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccnn1C1CCCC1	764604897	BGINZMBHAWIJOV-UHFFFAOYSA-N	301.350	1.412	50	20	DDGD	
CCCN(C)CC(=O)NNC(=S)Nc1cc(C)ccc1F	874947035	DDGKJVJQRKBVOQ-UHFFFAOYSA-N	312.414	1.794	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCc1cccc(F)c1F	876043019	SKMFPQPQBYJPAH-UHFFFAOYSA-N	311.210	1.748	50	20	DDGD	
CO[C@@H]1CCC[C@H]1CNC(=O)NNC(=O)CCc1ccccc1	774785827	CNBYHRUSUAWCLL-LSDHHAIUSA-N	319.405	1.765	50	20	DDGD	
CC[C@@H]1CN([C@H](CC)C(=O)NNc2nc(C)cc(C)n2)CCO1	773751291	MOQHFLIBDKVALR-ZIAGYGMSSA-N	321.425	1.426	50	20	DDGD	
COC(=O)CNC(=O)NNC(=S)Nc1cccc(C(C)C)c1	779719625	BLEBUTHPOAYFAS-UHFFFAOYSA-N	324.406	1.484	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNC(=O)c1ccc(OCC)c(OC)c1	770748232	KGPROCDXDZIHKS-INIZCTEOSA-N	324.377	1.406	50	20	DDGD	
C[C@@H]1CCC[C@@H](C(=O)NNc2nc(O)c3cnn(C)c3n2)C1	770972966	KRLCSUNIFUNMLQ-RKDXNWHRSA-N	304.354	1.338	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc(-c2cncnc2)cc1F	773740272	BQYLMMRSBYCWGY-UHFFFAOYSA-N	302.309	1.700	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@@H]2CCN(C)[C@@H]2C)c1	874947548	NCQHLZDSNAKLTF-GHMZBOCLSA-N	324.425	1.792	50	20	DDGD	
O=C(NNC(=O)c1ccc2ccccc2c1)N[C@@H](CO)C1CC1	778612201	VABAZIOEFDWGJT-HNNXBMFYSA-N	313.357	1.555	50	20	DDGD	
CCN1CCO[C@H](C(=O)NNC(=S)Nc2cccc(C)c2)C1	873775435	GGQMLTNITNQIFA-ZDUSSCGKSA-N	322.434	1.033	50	20	DDGD	
Cc1cccc(S(=O)(=O)NNC(=O)NC(C)C)c1Cl	775672721	KMMRPPVBMGICEV-UHFFFAOYSA-N	305.787	1.549	50	20	DDGD	
COc1cccc([C@@H](C)N[C@H](C)C(=O)NNC(=O)CC(C)C)c1	774855996	OKVFNZWKPZLEFB-CHWSQXEVSA-N	321.421	1.928	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H]2CC[C@H]2C(N)=O)c1	873756466	KVMVRPPHTAKNPW-MNOVXSKESA-N	320.418	1.133	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2c[nH]c(C#N)c2)cc1C	778523941	JXNJZSRVJXYVSH-UHFFFAOYSA-N	312.329	1.343	50	20	DDGD	
CCNC(=O)NNS(=O)(=O)c1c(C)ccc2cccnc12	777925536	CWUUTFRRLMVJPC-UHFFFAOYSA-N	308.363	1.056	50	20	DDGD	
COCC1(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)CC1	778532863	WOIKBAHRAGFWRG-SNVBAGLBSA-N	310.325	1.167	50	20	DDGD	
N[C@@H]1CCCN(Cc2cn(/C=C\CBr)nn2)C1	887442415	FTHFLRQEHCJMMW-LGIFSFGNSA-N	300.204	1.067	50	20	DDGD	
C#CCCCC(=O)NNC(=O)/C=C/c1cc(C(=O)OC)co1	887153382	SVAZOSBMNKDFPN-BQYQJAHWSA-N	304.302	1.030	50	20	DDGD	
N#CSCCCNC(=O)c1ccnc(O[C@@H]2CCOC2)c1	773589507	XAMUTFARAYKHNQ-GFCCVEGCSA-N	307.375	1.583	50	20	DDGD	
O=C(NC[C@@H]1CCC(F)(F)C1)NNC(=O)C1CCOCC1	883620482	INBBFSDRETUAMG-SECBINFHSA-N	305.325	1.179	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNC(=O)c1cc2c(s1)CCC2	779726162	XIUTXRFBHLJIFR-UHFFFAOYSA-N	310.375	1.340	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)NC[C@@H]1C[C@H]2C=C[C@H]1C2	1122109094	QHPSTOZAXAEVQD-SRVKXCTJSA-N	301.350	1.051	50	20	DDGD	
N#CSCCCNC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O	773584715	IHDJKJLTDYSKIA-HTQZYQBOSA-N	309.313	1.164	50	20	DDGD	
O=S(=O)(CCCCl)NCCCOCC1CCOCC1	881927994	RICNGMDGWWVAKV-UHFFFAOYSA-N	313.847	1.368	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21)c1cccnn1	882058412	GPEZITPBDGHIPJ-YNEHKIRRSA-N	302.378	1.844	50	20	DDGD	
O=C1CCN1c1ccc(OS(=O)(=O)CCCCl)cc1	882406249	UEDUACVDDXQEGQ-UHFFFAOYSA-N	303.767	1.761	50	20	DDGD	
CCCN([C@@H](CC)C(=O)OCC)S(=O)(=O)CCCCl	882124138	WBGZYGGCISXTGN-NSHDSACASA-N	313.847	1.999	50	20	DDGD	
C[C@H](c1ccccc1)[C@H](NS(=O)(=O)CCCCl)C(N)=O	882215390	SAUYOXVDXOTUGT-PWSUYJOCSA-N	318.826	1.192	50	20	DDGD	
O=C(CC(=O)NNc1ccc(F)c(F)c1)NCC(F)(F)F	885113230	SGAGKJPWXLVMDW-UHFFFAOYSA-N	311.210	1.477	50	20	DDGD	
C[C@H]1C[C@H](C)CN(CCCNS(=O)(=O)CCCCl)C1	881791918	QMTKBWSWVDJYIT-STQMWFEESA-N	310.891	1.903	50	20	DDGD	
C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)NNC(=O)C1CCOCC1	883493559	NVWRIWVOFAWRCZ-AAEUAGOBSA-N	311.426	1.958	50	20	DDGD	
COC(=O)Nc1cccc(CNS(=O)(=O)CCCCl)c1	882193585	TZPRSJIAEPTUAZ-UHFFFAOYSA-N	320.798	1.913	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1ccc(C#N)cc1Cl	788421047	OSIFJMVDGYLQPF-UHFFFAOYSA-N	318.764	1.674	50	20	DDGD	
N#CC1=CCN(C(=O)C2=NN(c3ccccc3)C(=O)CC2)CC1	780688084	XCFAOCVEEGMWIT-UHFFFAOYSA-N	308.341	1.852	50	20	DDGD	
O=C(CC(F)(F)F)NN=Cc1cn(Cc2cccnc2)nn1	783831832	DBLDKDUFJAXTEJ-UHFFFAOYSA-N	312.255	1.124	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1cnn(-c2ccccn2)c1	782573142	IYGIBDIJTAMTKM-UHFFFAOYSA-N	300.322	1.220	50	20	DDGD	
Cn1cc(NC(=O)NNc2ncc(F)cn2)c(C(F)(F)F)n1	782818907	ZZCZEJZBIGNGOE-UHFFFAOYSA-N	319.222	1.517	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21	891495920	UDAACTMHPSFIIU-IUIKQTSFSA-N	316.357	1.000	50	20	DDGD	
O=C(NNc1cccnn1)C(=O)Nc1ccc(Cl)cc1F	784862395	HCIUSOPILGZOEM-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2CC[C@H](C)C2)cc1OC	780799981	NLOPOSPUOKGHJW-JQWIXIFHSA-N	321.377	1.836	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2C[C@@H](O)C2)c(C(F)(F)F)c1	897816823	UMEYFTTVRZOOLN-OCAPTIKFSA-N	304.268	1.928	50	20	DDGD	
Cc1nc(NC(=O)NNC(=S)N[C@H]2CCCC[C@H]2C)no1	781111505	MSVCIYVJUPXUJW-APPZFPTMSA-N	312.399	1.457	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2nnc(-c3ccccn3)s2)CO1	788558564	PMVPSOONCDKRLQ-BDAKNGLRSA-N	305.363	1.468	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNC(=S)NC(C)(C)C	899992213	RSGIDZVORCQKNZ-JTQLQIEISA-N	314.455	1.071	50	20	DDGD	
Cn1nc(C2CC2)cc1C(=O)NNc1cnnc2ccccc12	894892852	GPVQRXZIYOFAEN-UHFFFAOYSA-N	308.345	1.998	50	20	DDGD	
N#Cc1ccc(C[C@H](C#N)C(=O)NNC(=O)CC2CCCC2)cc1	792637582	HLLOVPASQVVBON-MRXNPFEDSA-N	324.384	1.968	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1ncc(Cl)n1C	799474334	YRVFTLHIRZZIRJ-LLVKDONJSA-N	311.817	1.646	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2C[C@H]3CCCC[C@H]3C2)n1	793230655	HNAVTXMKCNAQQS-BETUJISGSA-N	302.378	1.866	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2ccn(C(C)C)n2)n1	794081616	LIRZXFIXDCYTHB-UHFFFAOYSA-N	301.350	1.171	50	20	DDGD	
CC(=NNC(=O)c1ccnc(N(C)C)c1)c1cc(C)n(C)n1	799879650	KPAIPWJHSUEAAI-UHFFFAOYSA-N	300.366	1.344	50	20	DDGD	
COc1ccc(NNC(=O)CCc2cnc[nH]2)c([N+](=O)[O-])c1	793688239	YUKLPEKUTXPFAU-UHFFFAOYSA-N	305.294	1.402	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC=C(c2ccccc2)C1	792941733	WFQDRGRERVZVIO-ZDUSSCGKSA-N	301.390	1.722	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccsc1)c1ccc(Cl)nc1	795303569	OENQGYBYKGBYTH-UHFFFAOYSA-N	317.779	1.420	50	20	DDGD	
CN(C)Cc1cc(C(=O)NNc2ccccc2[N+](=O)[O-])no1	1325133504	NWMWOGATNHTUIX-UHFFFAOYSA-N	305.294	1.401	50	20	DDGD	
O=C(CO)NNC(=O)c1ccc(Oc2ccc(Cl)cn2)cc1	1320208224	HBUAKEDUBGQALZ-UHFFFAOYSA-N	321.720	1.281	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2ccc([S@@](C)=O)cc2)n1	1322323799	QJJKNCQCYWAUKJ-OAQYLSRUSA-N	321.427	1.882	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NNC(=S)NC(C)C	1322212220	XHIGJZQCHLSQBP-UHFFFAOYSA-N	317.846	1.256	50	20	DDGD	
CC(C)(C)c1n[nH]cc1C(=O)NNc1nncc(N)c1Cl	1324532878	OFLHCTKGEWNVPP-UHFFFAOYSA-N	309.761	1.490	50	20	DDGD	
C=CCCN(C)C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1331100889	FZHVHYTYOKWJRY-BXKDBHETSA-N	303.200	1.311	50	20	DDGD	
CSc1ccc(Br)cc1CCNC(=O)NN	1337031203	XUZUHOFOAAAXGZ-UHFFFAOYSA-N	304.213	1.886	50	20	DDGD	
CSc1nc(O)nc(C)c1C(=O)NNc1ncccc1C	1255700016	OZTOINDYCUBPRM-UHFFFAOYSA-N	305.363	1.673	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@]2(CCOC2=O)C1	1336358400	VZAKMRLGVBEAOI-VEMDQMBVSA-N	314.316	1.898	50	20	DDGD	
COCc1nocc1C(=O)NNc1nc(-c2ccncc2)no1	1330122739	IGYXOEPXVVFTCQ-UHFFFAOYSA-N	316.277	1.023	50	20	DDGD	
O=C(NNc1ncccn1)C(=O)Nc1ccc2ncccc2c1	1338277683	XZAUVXPFZWFURA-UHFFFAOYSA-N	308.301	1.107	50	20	DDGD	
Cc1c(NNC(=O)c2cnc3[nH]cnc3c2)cccc1C(=O)O	1600055273	RDMBRUFYKPEFOL-UHFFFAOYSA-N	311.301	1.721	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC1CC(CC(=O)O)C1	1607871868	JGSFEKYIKMWXFQ-UHFFFAOYSA-N	305.334	1.192	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(C(=O)O)cn1)C1CCC(O)CC1	1603238356	VKSRQLZEGWGBKS-UHFFFAOYSA-N	321.377	1.800	50	20	DDGD	
C[C@H]1CN(C[C@H](CBr)C2CC2)C[C@@H](C(=O)O)O1	1607475300	JBVNBYQYBIJGAC-LSJOCFKGSA-N	306.200	1.581	50	20	DDGD	
CCn1ncc(C(=O)NNc2ccc(CC(=O)O)cc2)c1C	1605941632	SJORESYCHYASEV-UHFFFAOYSA-N	302.334	1.595	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2cccc3c2OCO3)cc1	1602129264	WDRVUSKJAMYCKO-UHFFFAOYSA-N	314.297	1.799	50	20	DDGD	
O=C(CCc1ccccc1C(=O)O)NNC(=O)[C@@H]1CCCS1	1608318566	YFKZAEGVHIXWLR-LBPRGKRZSA-N	322.386	1.360	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@@H]2CCCS2)cccc1C(=O)O	1610424003	RDJJQOSEYUTREU-NSHDSACASA-N	323.374	1.742	50	20	DDGD	
O=C(NN=C1CCc2ccccc2C1)[C@H]1CN2CCC[C@H]2CO1	1549317436	LFMXRDNBYVMOTO-DLBZAZTESA-N	313.401	1.511	50	20	DDGD	
CC1(N2CCCC2)CCC(=NNC(=O)[C@@H]2CNC(=O)C2)CC1	1552923851	LJIYMKTUTXVBHI-HKALDPMFSA-N	306.410	1.023	50	20	DDGD	
Cc1ccc(F)c2[nH]c(C(=O)NNC(=O)[C@H]3CCCNC3)cc12	1579706559	QYSJOAOGLFOLGF-JTQLQIEISA-N	318.352	1.376	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H](N)CCCC#N)c(C)c1	1579722229	BEQLKZVPZYLDHZ-GFCCVEGCSA-N	319.434	1.642	50	20	DDGD	
C=CC[C@@H](NNC(=O)[C@H](C)Oc1cccc(C)c1C)C(=O)O	1588750311	VRYSAIKSIDDKNF-QWHCGFSZSA-N	306.362	1.721	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@@H]1NCCc2occc21	1580739310	CTVYXUXVKHWAJQ-GFCCVEGCSA-N	320.280	1.657	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)CCC#N)C2	1841667379	IIDHUACBZQKJBE-LBPRGKRZSA-N	311.813	1.901	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@]12CCCNC2)c1ccc(Cl)cc1O	1580733274	QQTQVZHPTCZRJI-IAQYHMDHSA-N	323.780	1.196	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN1)c1ccc(OC(F)F)c(Cl)c1	1580733575	YHGPAZUYBVEEBX-QMMMGPOBSA-N	319.695	1.064	50	20	DDGD	
O=C(NN=C[C@H]1CCCSC1)c1ccc(-c2nn[nH]n2)cc1	1593155429	OAWFJLJZDMOAPC-SNVBAGLBSA-N	316.390	1.726	50	20	DDGD	
COc1ccc(NNC(=O)CCCCC(=O)O)c([N+](=O)[O-])c1	1594106585	YNNNCNQICKGPPR-UHFFFAOYSA-N	311.294	1.692	50	20	DDGD	
C[C@]1(CCC(=O)NNc2ccc(CC(=O)O)cc2)CCC(=O)N1	1594003631	XHBNNDIDRQVLLH-MRXNPFEDSA-N	319.361	1.206	50	20	DDGD	
O=C(NNc1cncc(Br)c1)[C@H]1CC[C@H]1C(=O)O	1594781843	JTPNECVDFWRGKA-DTWKUNHWSA-N	314.139	1.398	50	20	DDGD	
O=C(Cc1ncccc1F)NNc1cccc(-c2nn[nH]n2)c1	1592935741	PIBCBSXIFFOKTL-UHFFFAOYSA-N	313.296	1.087	50	20	DDGD	
C[C@]1(C(=O)NCc2ccc(C(=O)O)o2)C[C@@H]1Br	1593756132	CVALCQDTYMPESU-KWQFWETISA-N	302.124	1.768	50	20	DDGD	
CCCC[C@H](NNC(=O)c1cncn1-c1ccccc1)C(=O)O	1595640853	OKZQUZKNBAEDDJ-ZDUSSCGKSA-N	316.361	1.750	50	20	DDGD	
COc1cc(NC(=O)NNc2cccc(C(=O)O)c2)n(C)n1	1599439581	IBEFVWNDXYADHO-UHFFFAOYSA-N	305.294	1.276	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@@H]1C[C@H](C(=O)O)c2ccccc21	1594782725	IWLKUENBUYDTKU-QWHCGFSZSA-N	317.345	1.430	50	20	DDGD	
COc1ccc(NC(=O)NN=Cc2cc(C(=O)O)cn2C)cc1	1776077554	DIDDOYLTDWOWKQ-UHFFFAOYSA-N	316.317	1.888	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=Cc2ccccc2C(=O)O)c1	1776094644	DQBBSIAJOYFFPX-UHFFFAOYSA-N	312.281	1.847	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc(C(=O)O)c(OC)c1	1776024618	HLUIKNYLKBVVBY-UHFFFAOYSA-N	321.377	1.575	50	20	DDGD	
COc1ccc(C)c(C=NNC(=O)[C@H]2CCOC2)c1C(=O)O	1776058339	XSEZSVPVPGVWDH-JTQLQIEISA-N	306.318	1.188	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cnn(CC(C)C)c2)n1	161337207	AOMGSANYELSRIX-UHFFFAOYSA-N	305.342	1.486	50	20	DDGD	
CC(C)CC(C)(C)C(=O)NNC(=O)CNC(=O)c1cccnc1	160550015	WNOHSYMZVRHHHJ-UHFFFAOYSA-N	320.393	1.031	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2csc(-c3ccoc3)n2)[nH]n1	153096199	JEDVNTFPCJSNPA-UHFFFAOYSA-N	317.330	1.509	50	20	DDGD	
O=C(C[C@H]1COC(=O)C1)NNc1ccccc1Br	153636830	JYVVCIUUQOZEHC-MRVPVSSYSA-N	313.151	1.845	50	20	DDGD	
C[C@H](NS(=O)(=O)CCCCCl)C(=O)Nc1ccccc1	154183531	YYKIRZIAGODMCE-NSHDSACASA-N	318.826	1.952	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(-n3ccnc3)nc2)nc1	159451915	CGTXFOPGEPVZLK-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
CC(C)[C@H](Cc1ccccc1)C(=O)NNC(=O)[C@@H]1CCCO1	159859449	IHSXTEJTLJCHFC-GJZGRUSLSA-N	304.390	1.828	50	20	DDGD	
O=C(Cc1cccc(F)c1)NNC(=O)c1cccc([N+](=O)[O-])c1	8199112	BBKDPODMVCWSGR-UHFFFAOYSA-N	317.276	1.738	50	20	DDGD	
C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)NNC(=O)c1ccc[nH]1	175944359	UHJPDXODMPBXCB-MEDUHNTESA-N	301.346	1.330	50	20	DDGD	
CC(C)CC[C@@H](C)NC(=O)NNC(=O)CNC(=O)c1ccco1	101619532	VJGBQJOZTQHGNA-LLVKDONJSA-N	324.381	1.165	50	20	DDGD	
CS[C@@H](C)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	105510287	JCPLQAHUQGSJPN-VIFPVBQESA-N	312.464	1.822	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCC[S@](=O)C(C)(C)C	116966098	PJGJDGFDIPMYGH-HXUWFJFHSA-N	305.444	1.300	50	20	DDGD	
O=C(CCc1nc2ccccc2[nH]1)NNc1ncnc2nc[nH]c12	172643514	GKPOAADUHMAEOZ-UHFFFAOYSA-N	322.332	1.305	50	20	DDGD	
CO[C@H](C)C(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1	55118093	DQVONPLQRYGTAG-NEPJUHHUSA-N	316.357	1.789	50	20	DDGD	
COc1cccc(-c2nc(C(=O)NNc3cccnn3)c(C)[nH]2)c1	178991776	CMLKATXXQALHFK-UHFFFAOYSA-N	324.344	1.941	50	20	DDGD	
CCCN(CC(=O)NNC(=O)Cc1nc(C)cs1)C1CC1	171680821	HYZDWURGSAODRI-UHFFFAOYSA-N	310.423	1.016	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNC(=O)[C@H](C)CN1CCCCCC1	170992413	WNEGBQJAFFLZHY-MBFWDRTGSA-N	322.409	1.090	50	20	DDGD	
CCc1ccc(CNC(=O)NNC(=O)c2cnn(C)c2)s1	117958957	WEPJTRXKDMOMLM-UHFFFAOYSA-N	307.379	1.188	50	20	DDGD	
COc1cccc([C@H](C)C(=O)NNC(=O)c2c[nH]nc2C)c1	110760767	AGFCUIAZGAUSCW-VIFPVBQESA-N	302.334	1.291	50	20	DDGD	
N#CC1CCN(C(=O)NNC(=O)CCCc2ccccc2)CC1	171471739	JVJOKHREFZYBJY-UHFFFAOYSA-N	314.389	1.986	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)NCc1ccoc1	170923370	FYDCSSQUMUTPAB-UHFFFAOYSA-N	312.329	1.765	50	20	DDGD	
N#Cc1c[nH]c(C(=O)NNC(=O)c2cc(Br)c[nH]2)c1	175134020	QJSLAQYRBYWNSW-UHFFFAOYSA-N	322.122	1.052	50	20	DDGD	
O=C(Cc1ccc2c(c1)OCO2)NNc1ccc(Cl)nn1	118501269	DOABLQQLIBHGFC-UHFFFAOYSA-N	306.709	1.545	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@@H]1CSc2ccccc21	118320687	HEIUTPBCIYHMJE-GFCCVEGCSA-N	317.370	2.000	50	20	DDGD	
CCN(CC(=O)NNc1ccc(C(F)(F)F)nn1)C1CC1	124414479	NLXQKDJUPXRDES-UHFFFAOYSA-N	303.288	1.423	50	20	DDGD	
C[C@H](NS(=O)(=O)CBr)c1nnc2ccccn12	126682408	MJGACJNKKSCHFY-ZETCQYMHSA-N	319.184	1.062	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Nc2nc(C)cs2)c1	125664730	UHZWDCKTGYGTCS-UHFFFAOYSA-N	320.374	1.992	50	20	DDGD	
CC1(Cn2cc(C(=O)NNc3ccc(Cl)cc3)nn2)COC1	185430798	ZEXFGLSJSKJMTR-UHFFFAOYSA-N	321.768	1.725	50	20	DDGD	
N#Cc1ccc(CCC(=O)NNC(=O)NCc2ccco2)cc1	122819772	DAHYYTLXMZJLTD-UHFFFAOYSA-N	312.329	1.614	50	20	DDGD	
Cc1cnccc1CNC(=O)NNC(=O)Cc1ccc(F)cc1	188252392	USAMFIKAOUDNCL-UHFFFAOYSA-N	316.336	1.602	50	20	DDGD	
CO[C@@H](C)C(=O)NNC(=O)c1ccc(Br)s1	77648592	RJVFVZCCOUYWDF-YFKPBYRVSA-N	307.169	1.307	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)COCc2ccccc2)CC1	78359314	LUTQQAYZMMMRLA-UHFFFAOYSA-N	305.378	1.724	50	20	DDGD	
CSc1ncc(C(=O)NN(C)C(N)=O)n1-c1ccc(F)cc1	182666107	VXUTVLBSTBDFAW-UHFFFAOYSA-N	323.353	1.389	50	20	DDGD	
O=S(=O)(CCCCCl)NCCc1cn2ccccc2n1	184341019	UFXXSQVSPMMMHL-UHFFFAOYSA-N	315.826	1.815	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NNc1nc2ccccc2cc1C	181282711	KIVYVRTWULSOAK-UHFFFAOYSA-N	321.402	1.811	50	20	DDGD	
Cc1cc(F)ccc1NC(=O)C(=O)NNC(=O)c1ccccc1	181984061	XZEIJVNBZYROLL-UHFFFAOYSA-N	315.304	1.534	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCC1CCN(C)CC1	73244706	XAFJGJQXEXAMFE-UHFFFAOYSA-N	312.845	1.810	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)C[S@@](C)=O)cc1	181675970	QKYPWPUVNPXVHX-IQVNNRJNSA-N	320.414	1.875	50	20	DDGD	
CCOC(=O)Cc1csc(NC(=O)NNC(=O)OCC)n1	42755399	ZJUNCQKVXYGXHN-UHFFFAOYSA-N	316.339	1.031	50	20	DDGD	
C[C@H](OC[C@H]1CCCCO1)C(=O)NNC(=O)CC1CCCC1	195207614	KSRZAJMLOYDZDM-GXTWGEPZSA-N	312.410	1.688	50	20	DDGD	
COc1ccc(C(C)=O)cc1CC(=O)NNC(=O)C(C)(C)C	80085467	BMQALGHRIMUZDO-UHFFFAOYSA-N	306.362	1.634	50	20	DDGD	
O=C(CCSc1ccccn1)NNc1nc2ccccn2n1	191893507	HQTSENDMBSHQKQ-UHFFFAOYSA-N	314.374	1.750	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H](C)c1c(C)n[nH]c1C	132679533	GSDQFVLFMKNFNK-SECBINFHSA-N	316.361	1.600	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1	193655920	LGFPCXSKPKSNOT-GFCCVEGCSA-N	324.425	1.108	50	20	DDGD	
CN(C)c1ccnc(C(=O)NNc2ccc([N+](=O)[O-])cc2)c1	133821187	RZLXUCMPVWSXLQ-UHFFFAOYSA-N	301.306	1.813	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@H]2CCN(CC(C)C)C2)o1	134001043	LUKKWVOEAWUGJQ-ZDUSSCGKSA-N	322.409	1.510	50	20	DDGD	
CNC(=O)NNC(=O)c1nc(-c2ccccc2)oc1C1CC1	98116720	FAPJOQPMIWQUOR-UHFFFAOYSA-N	300.318	1.793	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CSCCS2)cc1	267441408	BVPBYGBWJWTCNK-NSHDSACASA-N	307.400	1.168	50	20	DDGD	
COC(=O)c1[nH]c(C)c(C(=O)NNC(=O)OC(C)(C)C)c1C	269302646	YHKAUIBXQQVZJV-UHFFFAOYSA-N	311.338	1.588	50	20	DDGD	
O=C(CC1CCOCC1)NNC(=O)c1ccc2c(c1)OCCO2	265374048	YRAOFRQPCFHVAM-UHFFFAOYSA-N	320.345	1.036	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NC[C@@H]1COC2(CCCC2)O1	367680022	YVQOEIPGQGWGFI-SNVBAGLBSA-N	315.370	1.411	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@@H]2CCSC2)cc(C#N)n1C	279903253	UZSMOTLJIVKAFP-FUFNBDOUSA-N	314.414	1.981	50	20	DDGD	
COC[C@H](NC(=O)NNc1c(F)cccc1F)[C@H]1CCCO1	279828744	ZHDFPYOGDLAIFY-NWDGAFQWSA-N	315.320	1.785	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H](NC(=O)c1ccco1)C(C)C	276712593	KJYAGUAXYXFSBB-CYBMUJFWSA-N	316.361	1.881	50	20	DDGD	
CCSc1cccc(NC(=O)C(=O)NNC(=O)CC2CC2)c1	274077477	PUWZNUIGLYKALB-UHFFFAOYSA-N	321.402	1.685	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)N[C@@H]1CCO[C@@H](C2CC2)C1	368153034	SCXAJWLYQHZGBX-BXUZGUMPSA-N	319.361	1.294	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@H]1C[C@@]12CCOC2	368481557	HRJIZCYVOCXPEK-IAQYHMDHSA-N	324.764	1.536	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(C)n(-c2cc(C)on2)c1C	272693260	RADPMQZNQDQICV-UHFFFAOYSA-N	319.365	1.697	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H](C)C2=CCN(C)CC2)n1	272716356	WJSXVOVSJZIPMA-LLVKDONJSA-N	305.382	1.367	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)/C=C/c1ccc(C)o1	276606974	SCGADBJGNZOEOV-MDZDMXLPSA-N	310.350	1.538	50	20	DDGD	
CC1CCN(C(=O)C(=O)NNc2ncnc3ccsc23)CC1	278291692	BFCGRTVEOBYCST-UHFFFAOYSA-N	319.390	1.393	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@@H]2CCOC[C@H]2C)cc1	287044635	TWJGMQQFNVSIKH-DOMZBBRYSA-N	319.405	1.866	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)COCc1ccccc1)C(F)(F)F	288818296	JWXORFWIQONATH-SECBINFHSA-N	319.283	1.484	50	20	DDGD	
Cc1cccc(CCCNS(=O)(=O)CBr)n1	285290174	LBYTVDCLAVJTKB-UHFFFAOYSA-N	307.213	1.594	50	20	DDGD	
O=C1NCc2c(NS(=O)(=O)CCCCCl)cccc21	288330200	VMOYOPOGJJQPNH-UHFFFAOYSA-N	302.783	1.691	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@@](C)(O)C1CC1	286515785	XWTKOZKAPQMLIU-AWEZNQCLSA-N	312.753	1.271	50	20	DDGD	
O=C(NCCC1(O)CCC1)NNC(=O)c1cccc(Cl)c1	284556682	DSSPNNIFHJLAEF-UHFFFAOYSA-N	311.769	1.589	50	20	DDGD	
CC[C@@H]1C[C@H]1NC(=O)NNC(=O)CSc1ccccc1OC	280790720	OWVMJJMJFMHHFL-GHMZBOCLSA-N	323.418	1.916	50	20	DDGD	
C[C@@H]1C[C@H](CNC(=O)NNc2ncc(F)cc2F)CCO1	297455483	VPEHRPSIJWCFGQ-RKDXNWHRSA-N	300.309	1.801	50	20	DDGD	
C[C@H]1CCCN(c2cc(C(=O)NNC(=O)C3CC3)ccn2)C1	290923147	HYJBSVWKCJQKAM-NSHDSACASA-N	302.378	1.489	50	20	DDGD	
O=C(NNc1ncccn1)[C@@H]1CCCN(c2ccccc2)C1=O	292893645	VPYBFLAEJPFZJS-ZDUSSCGKSA-N	311.345	1.363	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](C)c1ccc2c(c1)OCO2	295000796	RLAPOOQAYTUZPP-SECBINFHSA-N	316.317	1.461	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)CCCCCC#N	805157090	LTRMFIHAZCGDGS-UHFFFAOYSA-N	313.361	1.878	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccsc1C	295336620	HRXVQNSMAJCNCP-UHFFFAOYSA-N	300.380	1.607	50	20	DDGD	
COc1ccc(S[C@H](C)C(=O)NNC(=O)[C@@H]2CCCO2)cc1	292093294	HBSWJMCJMIIBIT-MFKMUULPSA-N	324.402	1.502	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1ccc2c(c1)CCO2	296487585	XWYPGLOYAUYTQE-CYBMUJFWSA-N	305.334	1.343	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1occ2c1CCC2	802762895	PLVXLKDXPOAQPZ-UHFFFAOYSA-N	320.370	1.929	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)Cc2ccc(Cl)cn2)n1	803096948	KLGJNBCPJHXSMP-UHFFFAOYSA-N	313.148	1.446	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@@H]2CCc3c(F)cccc32)O1	297163939	JOHXHXUPKKJNDH-FZZIBODNSA-N	321.352	1.711	50	20	DDGD	
O=C(Cc1cccc(Cl)c1F)NNC(=O)N1CCOCC1	290408208	FHPOHMGIMFXTMI-UHFFFAOYSA-N	315.732	1.095	50	20	DDGD	
CCCCn1cc(C(=O)NNC(=O)[C@H]2CCCCO2)c(C)n1	295621225	RQHKWSUHYPGNSS-CYBMUJFWSA-N	308.382	1.322	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)/C=C/Sc2ccccc2)CC1	808031835	PNWVQVJLOFAGNF-KPKJPENVSA-N	320.418	1.281	50	20	DDGD	
CC[C@H]1CC[C@@H](C)N1CC(=O)NNC(=O)c1ccc(F)cc1	299623372	JOBGIWCPXIFWBX-RISCZKNCSA-N	307.369	1.850	50	20	DDGD	
CN(NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(=O)OC(C)(C)C	297795443	VSWCSSLHIFLEIG-UHFFFAOYSA-N	311.294	1.812	50	20	DDGD	
CC(C)CCC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CC1	802709179	KALGXYPNDBIXAJ-GFCCVEGCSA-N	300.424	1.740	50	20	DDGD	
Cc1cc(Cl)nc(CNC(=O)NNC(=O)c2ccc[nH]2)c1	800733313	NUXXUIJHBPJRNT-UHFFFAOYSA-N	307.741	1.516	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@H](C)c1nccn1-c1ccccc1	806067414	UAXCXGZPCKEUDX-GFCCVEGCSA-N	315.377	1.920	50	20	DDGD	
CCc1ncsc1NC(=O)C(=O)NNc1ncccc1F	807301002	QCVCDAJHDHKFLN-UHFFFAOYSA-N	309.326	1.321	50	20	DDGD	
Cn1c(=NNC(=O)c2cnccc2C#N)sc2ccccc21	807926930	XEEADLLJUMSWLA-UHFFFAOYSA-N	309.354	1.752	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)COC2CCOCC2)cc1	802061421	PBHCLNQCCMYHRZ-UHFFFAOYSA-N	323.349	1.044	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1CCCN(c2ccccc2)C1=O	297025074	IMAFHWLJMOPFQV-CQSZACIVSA-N	305.378	1.039	50	20	DDGD	
C[C@H]1CSC[C@@H]1NC(=O)NNC(=O)CCc1ccccc1	805790710	DDTLVTRJQMZBAM-AAEUAGOBSA-N	307.419	1.701	50	20	DDGD	
Cc1nc(-c2c(C)noc2C)sc1C(=O)NNC(=O)C1CC1	294220709	CSYDTGUNVGTJRP-UHFFFAOYSA-N	320.374	1.894	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccnnc2)cc1C1CC1	817693514	PVQPSDXQELIVMM-UHFFFAOYSA-N	312.329	1.437	50	20	DDGD	
CN(NC(=O)CSCc1cc(=O)n2ccsc2n1)C1CC1	819645713	RINYKIKNISCATD-UHFFFAOYSA-N	324.431	1.115	50	20	DDGD	
Cc1c(C=NNC(=O)CC2CC2)c(=O)n(-c2ccccc2)n1C	814990312	LKFFZBGRUUWIJU-UHFFFAOYSA-N	312.373	1.735	50	20	DDGD	
CC(C)(C)OC(=O)N1[C@H](C(=O)NNc2ncccn2)C[C@H]2C[C@H]21	814278932	CEMAPTHGIVFQIT-MXWKQRLJSA-N	319.365	1.318	50	20	DDGD	
COc1cc(C(C)=NNC(=O)c2cccc([N+](=O)[O-])c2)on1	814684031	ARHNRFYQPWLQGF-UHFFFAOYSA-N	304.262	1.745	50	20	DDGD	
CCOc1ccc(NNC(=O)C(=O)Nc2cnn(C)c2C)cc1	815815299	ULFAZDZGYOFPAI-UHFFFAOYSA-N	317.349	1.209	50	20	DDGD	
NC(=O)c1ccc(NC(=O)NNc2ncncc2F)c(F)c1	814653608	PDMBVLBAEFBPQG-UHFFFAOYSA-N	308.248	1.002	50	20	DDGD	
COCCC(Cc1cccc(F)c1)=NNC(=O)Cc1cc[nH]n1	814956352	SUBJLZQLJOVFLY-UHFFFAOYSA-N	318.352	1.843	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1cc(F)c(O)c(F)c1	814951706	QNKZSKDSZVODPB-UHFFFAOYSA-N	322.267	1.905	50	20	DDGD	
CCCOc1ccc(C(=O)NN=Cc2cnn(C)n2)cc1OC	814755403	PLVBSAMIUGJRQV-UHFFFAOYSA-N	317.349	1.376	50	20	DDGD	
C/C(=C\c1ccc(C)cc1)C(=O)NNc1ccc(C(N)=O)nn1	810511542	JSLCKQDMCGKMSO-PKNBQFBNSA-N	311.345	1.431	50	20	DDGD	
COCCN(C)NC(=O)CCc1cccc(OC(F)F)c1	819526146	BDTWGXXXFNHNPK-UHFFFAOYSA-N	302.321	1.830	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNC(=O)c1ccc(C#N)cc1	810267684	DSSNEATYINOJSI-UHFFFAOYSA-N	303.321	1.543	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC[C@@]2(O)C[C@H]3CC[C@H]2C3)o1	813787501	YVLPPGQZNLMDTB-MQIPJXDCSA-N	321.377	1.473	50	20	DDGD	
CCNC(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)s1	812268168	QDFNJUVPIZMHTP-UHFFFAOYSA-N	317.314	1.279	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)c1cc(Br)c[nH]1	725840315	DRXIGJDYBKEIPV-UHFFFAOYSA-N	324.182	1.891	50	20	DDGD	
Cc1csc(Nc2ccc(C(=O)NN(C)C(N)=O)cc2)n1	810828968	UQGSKAICIMCSSV-UHFFFAOYSA-N	305.363	1.850	50	20	DDGD	
Cc1ccc(Br)c(C)c1C(=O)NN(C)C(N)=O	815900952	YEHAZNCKPBFBJP-UHFFFAOYSA-N	300.156	1.721	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2nc(-c3ccccc3)no2)n[nH]1	726420855	XEWPHTQUIVDJDR-UHFFFAOYSA-N	310.317	1.461	50	20	DDGD	
CC[C@@H](CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C(C)C	494741299	DMHWWHVUBQNOGG-NSHDSACASA-N	315.414	1.731	50	20	DDGD	
COC(=O)Nc1ccc(NC(=O)NNc2ncccn2)cc1F	496580500	CQDAYOHBRALREQ-UHFFFAOYSA-N	320.284	1.943	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1csc(-c2ccc(O)cc2)n1	823959160	CCMJYIKPAGWSCR-SECBINFHSA-N	307.375	1.473	50	20	DDGD	
Cc1nn(C)cc1CC(=O)NNC(=O)Cc1ccc(Cl)cc1	822212630	ZYDHHVNYHHUKEL-UHFFFAOYSA-N	320.780	1.315	50	20	DDGD	
N#C/C(=C/c1ccc(-c2nn[nH]n2)s1)C(=O)NC1CCCC1	822796236	NHWWTRDRQSTRMB-CLFYSBASSA-N	314.374	1.894	50	20	DDGD	
O=C(/C=C\C1CCOCC1)NNc1ccc(-n2ccnc2)nn1	492801552	QUGQXLFHOOYRNL-RJRFIUFISA-N	314.349	1.088	50	20	DDGD	
C/C=C/COc1cccc(CC(=O)NNC(=O)NCCC)c1	822800338	VDKPNIIHBMIMSE-HWKANZROSA-N	305.378	1.924	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)CN(C)C)cc1OCC	727649373	JAXSJQMJMFZHNA-UHFFFAOYSA-N	307.394	1.886	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CCCN2C(C)C)c1F	821938715	FSXQVAPVNRPGCH-ZDUSSCGKSA-N	323.368	1.928	50	20	DDGD	
OB(O)c1ccc(CNCc2cc(Cl)cc3c2OCC3)cc1	585035282	RDFRNZNSXMVKLW-UHFFFAOYSA-N	317.581	1.245	50	20	DDGD	
Cn1cc(C(=O)O)cc1C=NNC(=O)CCN1CCCCCC1	901153214	FSYSMYKGEUDIGQ-UHFFFAOYSA-N	320.393	1.440	50	20	DDGD	
C[C@H](c1ccccc1)N1CC[C@H](NCc2ccccc2B(O)O)C1	585022789	ZQEWELNXUHFDAI-QAPCUYQASA-N	324.233	1.292	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNC(=O)c1cccc(N(C)C)c1	491652325	ABKJXOGPYUOGDE-CYBMUJFWSA-N	302.378	1.499	50	20	DDGD	
O=C(c1ccc2nc(C(F)F)[nH]c2c1)N1CC[C@H](B(O)O)C1	585069419	LXAOOPQHHMOWOP-QMMMGPOBSA-N	309.081	1.189	50	20	DDGD	
CN(C)c1ccc(CNC(=O)[C@@]2(C)C[C@H]2Br)cn1	906074412	VNSSVLBTRUFCLM-MFKMUULPSA-N	312.211	1.937	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)OC)cnn1-c1ccc(F)cc1	495326285	ITBRJJUNLITDBR-UHFFFAOYSA-N	320.324	1.965	50	20	DDGD	
CCOC(=O)[C@@H]1CCCCN1C(=O)/C(C#N)=C\c1cnn(C)c1	491010099	LHBXOWVHDISVAH-MQJVFOOVSA-N	316.361	1.271	50	20	DDGD	
COCC(COC)OC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	908831724	WBSMASNPVLQYHP-ACAGNQJTSA-N	317.345	1.317	50	20	DDGD	
Cc1nc(CC(C)C)c(NC(=O)c2ccc(B(O)O)cc2)s1	584962862	SFZQEQCZJHPBBG-UHFFFAOYSA-N	318.207	1.582	50	20	DDGD	
CC(C)Nc1ncccc1C(=O)NNc1ccc(C(=O)O)cn1	833504078	FJEMODAVWLTFNJ-UHFFFAOYSA-N	315.333	1.752	50	20	DDGD	
O=C(NN=Cc1ccc(CO)o1)[C@@H]1COc2ccccc2O1	739400052	MDTZAYGQUBOFOJ-AWEZNQCLSA-N	302.286	1.062	50	20	DDGD	
COc1ccccc1C(=O)NN=Cc1ccc2c(c1)nnn2C	737432118	VIXTZYPUZFHCIV-UHFFFAOYSA-N	309.329	1.741	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NC[C@@H]2CC2(C)C)c1	732820489	OVAQRQVJKCDXPU-LBPRGKRZSA-N	305.378	1.750	50	20	DDGD	
CCCN1C(=O)C(=NNC(=O)[C@@H]2CCCCO2)c2ccccc21	834989711	KECJCBXDHKEKPW-AWEZNQCLSA-N	315.373	1.833	50	20	DDGD	
O=C(NNC(=O)c1cc(O)cs1)c1ccc2c(c1)OCCO2	731866064	PUPDCFRRIONJLO-UHFFFAOYSA-N	320.326	1.300	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC[C@@H]2CC[C@@H](C)O2)cc1	838741689	OCGMMICFDMKRGI-OCCSQVGLSA-N	321.377	1.272	50	20	DDGD	
CCO[C@H](CC)C(=O)NNC(=O)CNc1ccc(OC)cc1	839482467	CHVCWGAEQKXAQG-CYBMUJFWSA-N	309.366	1.070	50	20	DDGD	
Cc1ccc(NNC(=O)NC2CCN(CC(F)F)CC2)nn1	730025884	RCSRTRUTIMDQOW-UHFFFAOYSA-N	314.340	1.141	50	20	DDGD	
CN([C@H]1CCN(Cc2ccccc2)C1=O)S(=O)(=O)CCl	831237574	WXORXFOQIVWHAP-LBPRGKRZSA-N	316.810	1.245	50	20	DDGD	
Cc1ccc(F)c2c1C(=NNC(=O)[C@@H]1CCCCO1)C(=O)N2	834988651	LMWFJVPEVBKKEY-JTQLQIEISA-N	305.309	1.476	50	20	DDGD	
O=S(=O)(CBr)NC[C@@H]1CCOC2(CCC2)C1	832130004	HSSDUEWRCMOJPI-SECBINFHSA-N	312.229	1.608	50	20	DDGD	
OB(O)c1ccc(CNc2ccc(C3CCC3)cn2)c(F)c1	585044124	ZYALAAAHHJHNBJ-UHFFFAOYSA-N	300.142	1.780	50	20	DDGD	
C=C(Br)CNC(=O)NNc1cccc(C(=O)O)c1	833367206	JBNJLIFGPHIWSB-UHFFFAOYSA-N	314.139	1.920	50	20	DDGD	
CSc1cccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n1	831803286	MJTSWVXBDZHYQD-RKDXNWHRSA-N	310.379	1.381	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@](C)(OC)C2CC2)c1F	837062277	VNOCJCIECCJCHQ-OAHLLOKOSA-N	310.325	1.871	50	20	DDGD	
COc1ccc(Cl)cc1NCC(=O)NNc1cccnn1	736698864	UMRLLPKMOZRDNM-UHFFFAOYSA-N	307.741	1.694	50	20	DDGD	
CC[C@@H]1OCC[C@H]1NC(=O)NNc1ncnc2ccsc12	838776779	SZQDQVBZMVCZAA-SCZZXKLOSA-N	307.379	1.885	50	20	DDGD	
COC1(CO)CCN(C(=O)[C@@]2(C)C[C@H]2Br)CC1	907790762	OYBYBABWTYUFEQ-KOLCDFICSA-N	306.200	1.160	50	20	DDGD	
CC[C@@H](CNC(=O)NNc1cccc(C(=O)OC)c1F)OC	838597681	NQRBQFSYXNVVBT-VIFPVBQESA-N	313.329	1.663	50	20	DDGD	
CC1(C)[C@H](NC(=O)NNc2cccc(C(=O)O)c2)[C@H]2CCO[C@H]21	833555063	FJQDVTVCOWTVLB-JHJVBQTASA-N	319.361	1.824	50	20	DDGD	
COc1ccc(CC(=O)NN(C)C[C@@H](C)O)c(Cl)c1OC	910150969	XSOHECHQTWTJBI-SECBINFHSA-N	316.785	1.244	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)Cc1ccccc1F)C(F)F	836513485	WZNLIRCNJZNLOC-SNVBAGLBSA-N	303.284	1.742	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CC[C@@H](OC)[C@@H](C)C1	836291625	FZIYFTAUJAAJCL-WCQYABFASA-N	321.377	1.406	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1cccnc1OC(C)C	916511902	DCSYCNABHCUSTI-UHFFFAOYSA-N	308.382	1.745	50	20	DDGD	
C[C@](O)(C1CCN(S(=O)(=O)CCl)CC1)C(F)(F)F	831125963	OESMWOUIUDNUDS-QMMMGPOBSA-N	309.737	1.538	50	20	DDGD	
CCCN1C[C@H](C(=O)NNc2ccccc2C(=O)OC)CC1=O	839717642	GEOOKZNPDPSMBW-LLVKDONJSA-N	319.361	1.175	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(C)nc1C	843660242	WBQADODLGHTUSG-NWDGAFQWSA-N	319.361	1.087	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCc1nc2ccccc2o1	916828337	BNOINWNAFVJTJF-UHFFFAOYSA-N	304.375	1.442	50	20	DDGD	
Cc1c(NNC(=O)[C@@H](O)c2cccnc2)cccc1[N+](=O)[O-]	749289909	VQCCWYXRQIMNLU-ZDUSSCGKSA-N	302.290	1.475	50	20	DDGD	
CCc1ncc(C=NNC(=O)[C@@H](C)CN2CCC(C)CC2)cn1	841613788	AECJGCDUVLLVNR-AWEZNQCLSA-N	317.437	1.857	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2C[C@H]3[C@H](C2)C3(C)C)c1	744405570	RWNVALXSGSCJLM-KBPBESRZSA-N	301.390	1.344	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@@H](C)n2cncn2)cc1	914603648	WFDDEYRPUOOSOB-LLVKDONJSA-N	319.390	1.087	50	20	DDGD	
COc1ccc(N(C)[C@@H](C)C(=O)NNC(=O)CC(C)C)cc1	844352705	DDPCQEYBBRAMKW-LBPRGKRZSA-N	307.394	1.713	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCCC1=NNC(=O)c1ccc(N)cc1	741451682	MOWHLMJYOYSUDX-CYBMUJFWSA-N	309.391	1.342	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C2=C(C)C(C)(C)OC2=O)cc1	748557601	NOLPKHUMFCKWMJ-UHFFFAOYSA-N	316.357	1.662	50	20	DDGD	
CCn1ncc(C=NNC(=O)[C@H](C)Oc2cccc(C)c2C)n1	841611780	AXPQBZMRYKYWGE-ZDUSSCGKSA-N	315.377	1.832	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H]1CCN(C)[C@H](C)C1	746299561	QMHPWPXWIMFEMD-ZWNOBZJWSA-N	312.845	1.951	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)C1CCCC1)C(=O)OC(C)(C)C	847427368	SQKBFAKQUSABQS-JTQLQIEISA-N	313.398	1.485	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CN2[C@@H](C)CC[C@H]2C)cc1	846374482	QWAWJVDLMZQAGH-BETUJISGSA-N	319.405	1.718	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@H]2NC(=O)O[C@H]2C)cc1C	841439443	YCTQFXWZOPZQBV-CABZTGNLSA-N	321.333	1.112	50	20	DDGD	
CC(C)(C)C(=O)C(=O)NNC(=O)c1cc(-c2ccccc2)on1	746108523	ZLGDLWWAKUWJPW-UHFFFAOYSA-N	315.329	1.718	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](C1CC1)C1(CO)CCOCC1	911982889	OUJCRCPNSGTFJE-QLKUMGTLSA-N	308.378	1.114	50	20	DDGD	
C[C@@H](CN)CNC(=O)NNC(=O)c1cccc2ccccc12	841963855	WHYPSQPJCWVGBG-NSHDSACASA-N	300.362	1.379	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cccc(-c2cnn(C)c2)c1	741665318	RILGTKWBJFDUEC-UHFFFAOYSA-N	300.362	1.894	50	20	DDGD	
COC(=O)N(C)NC(=O)NC1CCN(Cc2ccccc2)CC1	840925407	MGZJSSBYNYEBBN-UHFFFAOYSA-N	320.393	1.563	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Cc1cc2ccccc2o1	747324913	QXEARUQAHGDYKQ-UHFFFAOYSA-N	309.325	1.760	50	20	DDGD	
C[C@H](COCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccccc1	844620318	SRWPAHRHLVHGMX-VNHYZAJKSA-N	320.389	1.379	50	20	DDGD	
CCC1(CNC(=O)NNc2ccc(CC(=O)OC)cc2)COC1	845240291	UQYBRERMVCZMHO-UHFFFAOYSA-N	321.377	1.455	50	20	DDGD	
CCc1ncncc1C(=O)NNC(=O)c1ccc2ccccc2n1	916092131	YYMQVKRMGZTJMT-UHFFFAOYSA-N	321.340	1.662	50	20	DDGD	
O=C(NC[C@@H]1CNCCO1)NNc1ccc(Cl)cc1Cl	842010830	KPJRKQGUKZYPDL-VIFPVBQESA-N	319.192	1.608	50	20	DDGD	
COc1cccc(C(C)(C)CNC(=O)NNC(=O)C(C)C)c1	749887823	ZWFNHZOBNRIURP-UHFFFAOYSA-N	307.394	1.959	50	20	DDGD	
CCCOc1ccc(S(=O)(=O)NNC(=O)c2ccc[nH]2)cc1	914845985	IZOLPMYFNVIDLP-UHFFFAOYSA-N	323.374	1.427	50	20	DDGD	
O=C(NNc1cccc(C(F)(F)F)c1)[C@H]1CCCS1(=O)=O	847599863	UMMZJCBFNWCZKR-SNVBAGLBSA-N	322.308	1.726	50	20	DDGD	
CCC(CC)n1nccc1C(=O)NNC(=O)c1ncccn1	841351032	ZNOKNKJEWTXPGJ-UHFFFAOYSA-N	302.338	1.109	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@H]1CC[C@H](CN)CC1	841996593	VSMQPMKLFOVPMT-HDJSIYSDSA-N	318.421	1.704	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2ccc3c(c2)OCCO3)CCN1C	741459265	YFABNALJXYVJCE-LLVKDONJSA-N	303.362	1.658	50	20	DDGD	
C=CC[C@H](C(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1ccccc1	843658894	SMOHQBXKYMHQTM-QEJZJMRPSA-N	302.374	1.919	50	20	DDGD	
CC1(C)[C@H](NC(=O)NNC(=O)CC(F)(F)F)[C@H]2CCO[C@H]21	741427116	WSNYXHHTINSXTE-FTLITQJKSA-N	309.288	1.083	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCCSC(C)(C)C	843662442	RCFJSYWDKJNFLB-QWRGUYRKSA-N	302.440	1.871	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1ccc(OCC)cc1C	749153928	JSUNHAIXFWFACF-UHFFFAOYSA-N	315.395	1.296	50	20	DDGD	
CCN[C@H](C)CNC(=O)NNc1ccc(OC(F)F)cc1	841983367	BLZWMHCVSOTHPH-SECBINFHSA-N	302.325	1.912	50	20	DDGD	
CCC1(C(=O)NNc2ncc(Br)cn2)COC1	848320951	DHLGVFUAWJZHHC-UHFFFAOYSA-N	301.144	1.109	50	20	DDGD	
O=C(NN=C1CCc2cccc(Cl)c2C1)C(=O)N1CCCC1	841622648	ZRVYOJOOXYKYSL-UHFFFAOYSA-N	319.792	1.923	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NC[C@H]2CCC[C@@H]2C2CC2)cn1	840395090	JFMSGDKVGXNSER-DGCLKSJQSA-N	305.382	1.190	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCSCc1ccccc1	843654375	HNZVAVZHMGWNOH-GXTWGEPZSA-N	322.430	1.882	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H](C)c2cnn(C)c2)cc1	846373708	CAQUIPQLQOTJGS-NSHDSACASA-N	316.361	1.382	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H](C)CN(CC)CC)cc1	921122846	YJPPNXXLIBTJOT-ZDUSSCGKSA-N	320.437	1.923	50	20	DDGD	
COc1cccc(NCC(=O)NN=C(C)c2cnn(C)c2)c1	920827416	LOSPKAWSLPVVPU-UHFFFAOYSA-N	301.350	1.381	50	20	DDGD	
CC(=NNC(=O)C(=O)NC(C)C)c1sc(C(C)C)nc1C	751134297	LDCZCAOKJSWROK-UHFFFAOYSA-N	310.423	1.940	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2cccc(C(=O)O)c2)CC[C@H]1C(=O)O	853425896	IEEZFZGXCYRBGF-TVQRCGJNSA-N	318.329	1.991	50	20	DDGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cnc[nH]1	750865896	OGXGGMHSOJKKIB-NSHDSACASA-N	324.340	1.791	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1OC	755336035	GTCFGSGFCSGHBB-UHFFFAOYSA-N	310.310	1.348	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNc1cccc(Br)c1	920442265	YDDOFAHARMJMIE-MRVPVSSYSA-N	314.183	1.807	50	20	DDGD	
C[C@H](NC(=O)NNc1cc(F)ccc1F)[C@@H]1CN(C)CCO1	921553051	HTJLTSVBFRNEQI-ZANVPECISA-N	314.336	1.310	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)c2ccccc2OC)c(C)n1	859303647	SDXLCRKNRSQOAG-UHFFFAOYSA-N	302.334	1.295	50	20	DDGD	
COCCN(C)NC(=O)c1ccc2[nH]c3c(c2c1)CN(C)CC3	854414219	XIERQYUFIPWHAE-UHFFFAOYSA-N	316.405	1.379	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc(C(F)F)nc1)C1CC1	855095523	OPPYWSYMEYQNMN-SSDOTTSWSA-N	314.361	1.927	50	20	DDGD	
CNC(=S)N(C)NC(=O)COc1ccc(CCC(C)=O)cc1	854926181	TZLCDULEGXBHDW-UHFFFAOYSA-N	323.418	1.054	50	20	DDGD	
O=Cc1ccc(OCCC(=O)NNC(=O)CC(F)(F)F)cc1	855001844	KOZOWSCNJWRQDK-UHFFFAOYSA-N	318.251	1.368	50	20	DDGD	
CCc1nn(C)cc1C(=O)NC[C@]1(C)C[C@@H]1Br	857395652	SSKIJAJZNMSVFE-JQWIXIFHSA-N	300.200	1.886	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cnc(F)c(C)c1	857706722	NPTPWQLFDVTPBV-UHFFFAOYSA-N	314.386	1.017	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)c2cc(Cl)ccc2O)O1	757373440	YIADSTNEPAZEMI-BXKDBHETSA-N	312.753	1.764	50	20	DDGD	
Cc1nn(C)c(C)c1[C@H](C)C(=O)NNC(=S)NCC1CCC1	855091303	KRTQXOJEXACLOQ-VIFPVBQESA-N	323.466	1.436	50	20	DDGD	
COC(=O)C[C@H]1CN(C[C@@H](CBr)C2CC2)CCO1	859157983	VVRXHLIRSXSNKB-NEPJUHHUSA-N	320.227	1.671	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)Cc1ccccc1C	859784388	NWXCEXUXQRRLDM-OLZOCXBDSA-N	320.389	1.663	50	20	DDGD	
CCC[C@@H](CNC(=O)NNC(=O)Cc1cccnc1)OCC	858189859	UWKSYSXPPVLXAV-ZDUSSCGKSA-N	308.382	1.160	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1C(=O)NNc1nccnc1Cl	757663027	YUWLHDNERJSFRQ-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
O=C(NNC(=O)[C@H]1CSCCS1)c1ccc(Cl)nc1	750992973	AOEKHTOMJWDCNA-MRVPVSSYSA-N	317.823	1.345	50	20	DDGD	
CCN(Cc1occc1C)C(=O)NNC(=O)c1cccc(F)n1	852711416	FTJKIBULWNIFAK-UHFFFAOYSA-N	320.324	1.999	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C)c1cn[nH]c1	853377280	LLSKBGVZWNEBGC-TZMCWYRMSA-N	316.365	1.151	50	20	DDGD	
CC(C)(CCO)CNC(=O)NC[C@]1(C)C[C@H]1Br	856956449	PNBPVPYXRLEHPJ-SKDRFNHKSA-N	307.232	1.868	50	20	DDGD	
CC(C)c1nnc(C(=O)NNC(=S)NCC2CCC2)s1	855090264	SCVIJFMLGVFTHY-UHFFFAOYSA-N	313.452	1.571	50	20	DDGD	
C[C@]1(CNC(=O)N2CC([C@H]3CCOC3)C2)C[C@@H]1Br	856956192	VJGVDVLCHAHGFV-XHVZSJERSA-N	317.227	1.838	50	20	DDGD	
O=C(NNC(=O)C1(C(F)(F)F)CCCCC1)c1cc[nH]n1	855354899	MHOIYQOSKJCNHX-UHFFFAOYSA-N	304.272	1.684	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNc2ncccc2[N+](=O)[O-])c1	759298406	YUBYREICAWORNB-UHFFFAOYSA-N	317.261	1.963	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cc2cc(C)[nH]n2)c1C	855625798	INUASKQWTMBGCI-UHFFFAOYSA-N	302.334	1.499	50	20	DDGD	
O=C(NNC(=O)c1snnc1C1CC1)c1cccc(F)n1	856426674	DRVGPNYXYWWWPZ-UHFFFAOYSA-N	307.310	1.024	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@H]1CCN(C2CCCCC2)C1=O	764414585	WIWBRJZNNBHQRW-NYHXXUGCSA-N	305.378	1.480	50	20	DDGD	
Cc1cc(S(=O)(=O)NCC(Cl)Cl)ccc1[N+](=O)[O-]	867470467	OJOJGXXQSQXIEU-UHFFFAOYSA-N	313.162	1.985	50	20	DDGD	
CCNC(=O)N(C)N=Cc1c[nH]c2ccc(C(=O)OC)cc12	769593045	YBGATRPEZWTHTQ-UHFFFAOYSA-N	302.334	1.950	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1cnc2nccnc2c1	760372998	MXPHMQJNYWWRKQ-UHFFFAOYSA-N	311.261	1.085	50	20	DDGD	
C[C@@H]1CCC[C@@H]1CC(=O)OCC(=O)NNC(=O)c1ccccc1	769181163	OBFVDXXOALZKFM-TZMCWYRMSA-N	318.373	1.817	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	765250764	BXAHRQYYYVSPIZ-UHFFFAOYSA-N	302.269	1.056	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cncc(N3CCCC3)n2)n1	864688993	BQWSLPORPHOVGS-UHFFFAOYSA-N	313.365	1.241	50	20	DDGD	
Cc1nccn1CCCNS(=O)(=O)CC(C)(C)CCl	866544872	DDKWIFWKZIZFKS-UHFFFAOYSA-N	307.847	1.766	50	20	DDGD	
COC(C)(C)CCNC(=O)NNC(=O)COc1cccc(C)c1	867972203	UVYPZEBBPTZSQC-UHFFFAOYSA-N	323.393	1.519	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H]1CCCCN1Cc1cccc(C)c1	1119104877	OMLHLQMXIVNTAJ-KRWDZBQOSA-N	319.449	1.695	50	20	DDGD	
O=C(NNc1cncc(Br)c1)c1cccc(O)n1	1117006881	LIZFKKFULHPOAC-UHFFFAOYSA-N	309.123	1.702	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=C(C)c1ccnn1C	765995541	WAEQCWSFDHQGDO-UHFFFAOYSA-N	324.388	1.873	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@H]1C=NNC(=O)N1CCOCC1	872346050	DKWYXFYBGNVGSQ-QWHCGFSZSA-N	321.381	1.008	50	20	DDGD	
O=C(NNc1ccc(F)cn1)c1cnc(C2OCCO2)s1	874648667	XTHKVEBHKFEIGE-UHFFFAOYSA-N	310.310	1.480	50	20	DDGD	
Cc1ccc(-n2cnnc2)c(C(=O)NNC(=S)NC(C)C)c1	1116903787	RXTRKJQBJUPHIE-UHFFFAOYSA-N	318.406	1.093	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)CNC(=O)c1ccoc1C	771692715	JBYVXDZOEIQABO-UHFFFAOYSA-N	305.309	1.909	50	20	DDGD	
COCc1cc(NCc2ccccc2B(O)O)ccc1OC	877702696	XHCICBSFKQOSKB-UHFFFAOYSA-N	301.151	1.134	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc2c(c1)OC(F)(F)O2	878091509	FWHMDWWNXKZWRP-UHFFFAOYSA-N	303.221	1.743	50	20	DDGD	
Cc1cccc(NNC(=O)NC2CCN(CCN(C)C)CC2)n1	875055839	DDMYUYCEAFFVHC-UHFFFAOYSA-N	320.441	1.042	50	20	DDGD	
CCOC1(C(=O)NNC(=S)Nc2ccccn2)CCCC1	874955564	AYTBLOPYRHWNTJ-UHFFFAOYSA-N	308.407	1.749	50	20	DDGD	
CC(=O)N(C)CC(=O)NNC(=S)Nc1cccc(Cl)c1	873785240	OYQUJBRYVFQETM-UHFFFAOYSA-N	314.798	1.136	50	20	DDGD	
CCC[C@H](O)CC(=O)NNc1cccc(S(C)(=O)=O)c1	776720861	JGWOFIAYGQHNCC-NSHDSACASA-N	300.380	1.084	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(C)cc1OCCN(C)C	878777373	IEYYXNLAFOVTLW-UHFFFAOYSA-N	324.381	1.670	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCC(C)(C)[N+](=O)[O-])cc1	1117778528	WWRCROFEUAPGSC-UHFFFAOYSA-N	309.322	1.292	50	20	DDGD	
C[C@H]1CC[C@@H](CNC(=O)NNc2ccc(C(C)(C)C)nn2)O1	1117866446	SCNWNQLSQYJJGX-QWRGUYRKSA-N	307.398	1.968	50	20	DDGD	
CNC(=O)c1cc(NC(=O)NN(C)CCOC)ccc1Cl	878344488	DXQABXJUKZIGON-UHFFFAOYSA-N	314.773	1.314	50	20	DDGD	
Cn1ccc(NC(=O)NC[C@@]2(C)C[C@H]2Br)cc1=O	879784560	OISOPUMTKWEIQZ-BXKDBHETSA-N	314.183	1.680	50	20	DDGD	
CSc1nsc(NC(=O)NNc2ccc(Cl)nn2)n1	770061990	OKCPVIWRARFVKV-UHFFFAOYSA-N	317.787	1.852	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1	775834482	SXALKYKZYALFRY-NWDGAFQWSA-N	306.410	1.349	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cnc(S)[nH]1	776319215	BBURIZMZSCNAHB-SSDOTTSWSA-N	324.337	1.066	50	20	DDGD	
NC1CCN(CCc2cn(/C=C/CBr)nn2)CC1	881295624	RONJFJGEGVIRHP-LZCJLJQNSA-N	314.231	1.109	50	20	DDGD	
C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)NNC(=O)c1ccccc1	776845805	GBILDAQFNMYHRW-NSHDSACASA-N	320.393	1.276	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1CCCCN1C1CCCC1	887147752	AFJJKAYQJWSYLO-HNNXBMFYSA-N	305.422	1.734	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)Cc1c(C)nn(C)c1C	780729020	APMAZUVUYVMGHQ-UHFFFAOYSA-N	316.361	1.509	50	20	DDGD	
Cc1nc2ccnn2c(C)c1C(=O)NNc1ccnc(F)c1	781357235	FTOULWCGSSPVKJ-UHFFFAOYSA-N	300.297	1.637	50	20	DDGD	
CC1(C)CC(=O)c2cccc(NC(=O)NNC(=O)C3CC3)c2O1	880453315	COSSWICSJDBIDO-UHFFFAOYSA-N	317.345	1.993	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCC[C@@H]1[C@@H](O)C(F)(F)F	780790864	APNOBMGGBUSSGU-RKDXNWHRSA-N	323.764	1.723	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)c1ccc2c(c1)nnn2C	788188365	INABYDRSHAONMZ-UHFFFAOYSA-N	315.308	1.873	50	20	DDGD	
CN(C[C@H]1CCCC[C@H]1O)S(=O)(=O)CBr	782476569	CYRZOXLQYYSWOG-RKDXNWHRSA-N	300.218	1.152	50	20	DDGD	
O=C(NNC(=O)c1csc(Cl)c1)C(=O)Nc1ccccn1	787120345	SOJMHUDLRYKGFW-UHFFFAOYSA-N	324.749	1.196	50	20	DDGD	
Cc1cc(NC(=O)NNc2ncncc2Cl)ccc1C(N)=O	782035731	RNQOUJKMJHVADR-UHFFFAOYSA-N	320.740	1.686	50	20	DDGD	
COC(=O)c1cncc(C(=O)NNc2ccc(OC)cn2)c1	781520573	BCFCBKXXOHBRAU-UHFFFAOYSA-N	302.290	1.029	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	899999508	PMVSNERUIHQMQG-RWMBFGLXSA-N	303.431	1.866	50	20	DDGD	
O=C(NNc1ccc(S(=O)(=O)C(F)(F)F)cc1)C(F)F	787461525	NHJMOCDNWOBTEP-UHFFFAOYSA-N	318.223	1.688	50	20	DDGD	
C/C(=C(\F)C(=O)NNC(=O)COc1ccc(C#N)cc1)C1CC1	899940886	ZLMZIXFXBYYNQX-XNTDXEJSSA-N	317.320	1.738	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNC(=O)CC(F)(F)F)c1C	794241492	IDQLHUZFHOYJHH-UHFFFAOYSA-N	306.288	1.162	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)c1cc(Cl)ccc1O	794901127	DGEYRUOUQPPQHA-RKDXNWHRSA-N	324.764	1.812	50	20	DDGD	
O=C(NCc1cnc2n1CCCC2)NNC(=O)C1CCCC1	790829764	GHPLNVVIVXDLBR-UHFFFAOYSA-N	305.382	1.240	50	20	DDGD	
CC(=NNC(=O)c1cccc(C)n1)c1ccc2c(c1)OCC(=O)N2	794937073	GVFFOKVMURDRJM-UHFFFAOYSA-N	324.340	1.875	50	20	DDGD	
C[C@H]1CC[C@H](CNC(=O)NNC(=O)COc2ccccc2F)C1	792777006	MKYUWRZLUUBSBT-RYUDHWBXSA-N	323.368	1.971	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1cn(C(C)(C)C)nn1	791114377	KMWGVYKXKBEDIB-UHFFFAOYSA-N	316.365	1.808	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1)c1cc(C)on1	790287322	LMCDYPLMAXRMHY-WCFLWFBJSA-N	322.409	1.569	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])C(=O)Nc1cncc(F)c1	799259507	AOUITDYCAHHYKL-UHFFFAOYSA-N	319.252	1.211	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)NCC(F)(F)F)c1ccncc1	798314863	DNNKDHHQCINSBM-MRVPVSSYSA-N	304.272	1.468	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=C1CCC12CCOCC2	799873991	RRHJMAQMIPQFDQ-UHFFFAOYSA-N	322.390	1.076	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@@H](C)[C@H](C)N1CCOCC1	791027061	VPPRXTBONVXMFZ-STQMWFEESA-N	307.398	1.125	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCc2cnc3ccccc3c2)n[nH]1	792280209	DQVMKAFYXQELLW-UHFFFAOYSA-N	323.356	1.660	50	20	DDGD	
O=C(NNC(=S)NCCCCC(F)(F)F)c1ccncc1	794967881	ITWKQRYQLLXRRR-UHFFFAOYSA-N	320.340	1.923	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1sccc1OC	790064168	VLZUGFREMSWJBT-UHFFFAOYSA-N	316.379	1.307	50	20	DDGD	
O=C(COC(F)F)NNC(=O)c1c(Cl)cccc1Cl	796077818	SLNAKJKTVLKPCU-UHFFFAOYSA-N	313.087	1.994	50	20	DDGD	
Cc1cc(Cl)ncc1NC(=O)C(=O)NNc1ncccc1C	792379515	JLIOFZLCTYYVJW-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
CO[C@H](C(=O)NNc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1	798982472	CLSMZAGBRMWDKI-LBPRGKRZSA-N	305.294	1.159	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)OCC(=O)N2C	799244775	LYYZNPCGKABXLC-SECBINFHSA-N	320.349	1.241	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cn(C)nc2C(F)F)n1	794072236	LRIUVFZSTCTVMH-UHFFFAOYSA-N	309.276	1.136	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NNC(=S)NC(C)C)n1	1317668657	UXESLLOVNBCDJZ-UHFFFAOYSA-N	313.452	1.089	50	20	DDGD	
CCn1cc(CC(=O)NNc2ccc(C(C)(C)C)nn2)cn1	1325983806	QNWQXDFVIPOMAM-UHFFFAOYSA-N	302.382	1.676	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)NNc1ccn(C)n1	1325428793	UKGIIFOVGUGIDP-UWVGGRQHSA-N	311.386	1.413	50	20	DDGD	
CCc1nc(NC(=O)C(=O)NNc2cc(C)ncn2)sc1C	1326719327	COSNHVMMQXWVHM-UHFFFAOYSA-N	320.378	1.194	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)n2ccnc2)c2ccccc2n1	1322585785	OJAIMEBXBLRDBW-LBPRGKRZSA-N	323.356	1.762	50	20	DDGD	
CC(C)C(=O)N1CCC(C(=O)NN[C@@H](C)C(F)(F)F)CC1	1331789325	BHENNFGBELLVKP-VIFPVBQESA-N	309.332	1.453	50	20	DDGD	
Cc1c([C@@H](C)NS(=O)(=O)CC(C)(C)CCl)cnn1C	1330353894	JFHCKYOGDXJFPG-SECBINFHSA-N	307.847	1.974	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1nccc(Cl)c1F)C1CC1	1334457349	BYQNXHPBOBQFOX-ZCFIWIBFSA-N	316.789	1.782	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(C)nc2OC)cc1	1337328323	RUYSDYQWXGFOEE-UHFFFAOYSA-N	315.329	1.482	50	20	DDGD	
Cc1onc(-c2ccncc2)c1C(=O)NNc1ncncc1F	1330459269	KNSLVSOFZNZAAZ-UHFFFAOYSA-N	314.280	1.731	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1c(F)ccnc1Cl	1347048310	RBKKWLWTRYPXCA-RNFRBKRXSA-N	301.705	1.060	50	20	DDGD	
CN(C)[C@H]1CCCC[C@@H]1NC(=O)NNc1ncc(Cl)cn1	1347929649	YHQCURQPCLNLSA-QWRGUYRKSA-N	312.805	1.629	50	20	DDGD	
O=C(NNC(=O)c1oc(C2CC2)nc1C(F)F)c1ccncc1	1347176973	VSMAOSZEQORPNQ-UHFFFAOYSA-N	322.271	1.959	50	20	DDGD	
COc1nccc(C(=O)OC[C@@]2(C)C[C@H]2Br)n1	1345267431	WYLSKIISVDUHIW-LDYMZIIASA-N	301.140	1.816	50	20	DDGD	
O=C(NC[C@@H]1CCCNC1)NNc1ccc(C(=O)O)c(F)c1	1601484274	NZVASCPPWVFROK-SECBINFHSA-N	310.329	1.150	50	20	DDGD	
Cc1nc([C@H](C)NC(=O)NNc2ccc(CC(=O)O)cc2)no1	1600686680	BTVGSNQWPXFSQO-QMMMGPOBSA-N	319.321	1.392	50	20	DDGD	
O=C(O)CCCCC(=O)NNc1cc(O)nc2ncccc12	1606141965	GMIIXYGCQOSHFX-UHFFFAOYSA-N	304.306	1.424	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)ncn1	1600281615	JKSYJEBEIGZDKN-DJIHRAIXSA-N	302.334	1.141	50	20	DDGD	
N#Cc1cccc(CC(=O)NNc2ccc(CC(=O)O)cc2)c1	1608217390	BPEIFHODGGEPQV-UHFFFAOYSA-N	309.325	1.871	50	20	DDGD	
O=C(O)CCc1ccccc1C(=O)NNc1ncc(F)cn1	1602045835	WLPNAHWEJIGXGX-UHFFFAOYSA-N	304.281	1.390	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)c1ncoc1[C@H]1CCCO1	1608948522	HHLXUKQVPNRAIW-LLVKDONJSA-N	317.301	1.981	50	20	DDGD	
COc1c(C(=O)NNc2ccc(C(=O)O)cc2F)cnn1C	1607009841	JZVSOYWIVQYAJF-UHFFFAOYSA-N	308.269	1.023	50	20	DDGD	
CC1(C)C(C)(C)C1(C)C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1603754729	BOPNYKUOXUPBQJ-UHFFFAOYSA-N	315.381	1.777	50	20	DDGD	
N#C[C@H]1CC[C@@H](NC(=O)NNc2ccc(C(=O)O)cc2F)C1	1601079245	IFELGZAGGBYGJX-WCBMZHEXSA-N	306.297	1.842	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@H]2CCN2C2CCCC2)c1	1602447962	IQYBYNLPUQIEIV-CQSZACIVSA-N	303.362	1.845	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@H](C(=O)O)C(C)C)c1ccccc1	1603489261	WKDTWSMPYIDHMG-CHWSQXEVSA-N	306.362	1.684	50	20	DDGD	
O=C(O)[C@@H](NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)c1ccccc1Cl	1601677419	BEZPZBSKPLUDIJ-LGOOBZPGSA-N	324.764	1.654	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)cc1F)C1=C[S@](=O)CCC1	1608481039	GLHXBMHWGSMJSF-OAQYLSRUSA-N	312.322	1.393	50	20	DDGD	
CCN1CCC(NC(=O)NNc2ccc(C(=O)O)cc2F)CC1	1610008045	AWCYUMSGKJAZTN-UHFFFAOYSA-N	324.356	1.634	50	20	DDGD	
C[C@@H]1COCC1=NNC(=O)[C@H]1CCCO[C@H]1c1ccnn1C	1550194975	TWIGHSIPFGNNCL-UHIISALHSA-N	306.366	1.026	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@H]2NCC23CCCC3)c1	1579772736	IKILEXHCCDREGZ-OAHLLOKOSA-N	317.389	1.053	50	20	DDGD	
CN(NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21)C(=O)N1CCNCC1	1578506102	HJXZJKNPOVJTKD-RRFJBIMHSA-N	322.453	1.581	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNc2ncccc2C(=O)O)nc1	1588936681	WTBICDAKAGWSRI-UHFFFAOYSA-N	316.317	1.719	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cnc[nH]2)C1	1842424186	MFHXRVGJNSZFBQ-JTQLQIEISA-N	310.785	1.244	50	20	DDGD	
C[C@H]1CCc2nc(C(=O)NNc3ccccc3C(=O)O)cn2C1	1594447832	JPHCVGOZZZXAJG-JTQLQIEISA-N	314.345	1.921	50	20	DDGD	
CN(C)c1nccc(NNC(=O)Nc2ccccc2C(=O)O)n1	1598358537	DIIVIDAVVMGDMR-UHFFFAOYSA-N	316.321	1.389	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@]2(C(=O)O)CC=CCC2)c1	1594436021	QXINMYMKVZXAJO-CQSZACIVSA-N	308.359	1.629	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNc1ccc(C(=O)O)cn1	1597747707	GXOVEZPGZBZPKE-UHFFFAOYSA-N	318.333	1.578	50	20	DDGD	
CSC1(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1	1591690742	UJFOOJJCIQZFKV-UHFFFAOYSA-N	302.363	1.478	50	20	DDGD	
O=C(NN=Cc1c[nH]c2cccc(-c3nn[nH]n3)c12)C1CCCC1	1593155744	YUWVEVJZZRMAFG-UHFFFAOYSA-N	323.360	1.988	50	20	DDGD	
O=C(O)CCCCC(=O)NNC(=O)c1cccc2ncccc12	1595032677	HVMSHQHRRNKDTP-UHFFFAOYSA-N	315.329	1.641	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cccc(F)c1C(=O)O	1776024616	HHZDYRMBROTNSO-UHFFFAOYSA-N	309.341	1.706	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1c(F)ccc(C(=O)O)c1F	1776115495	AENMYXXYDHFLOZ-VURMDHGXSA-N	311.240	1.760	50	20	DDGD	
O=C(O)c1ccc2[nH]cc(C=NNC(=O)c3cccnn3)c2c1	1776103398	GZPWNGUIDMPGNT-UHFFFAOYSA-N	309.285	1.420	50	20	DDGD	
O=C(CO)NNC(=O)c1ccc(OCc2ccccc2)cc1	11638920	UIJJXIDYAUSIKS-UHFFFAOYSA-N	300.314	1.019	50	20	DDGD	
O=C(CCl)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1	169906505	CHGHENTWCVJIOW-UHFFFAOYSA-N	306.753	1.086	50	20	DDGD	
CCCCN(C)c1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1	160097240	WOXUYAIWAMOVGP-HNNXBMFYSA-N	319.405	1.863	50	20	DDGD	
C=CCC(CC=C)C(=O)NNC(=O)Cc1cn2ccccc2n1	151157540	HIBSZQNNPGCPIQ-UHFFFAOYSA-N	312.373	1.793	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)[nH]n1	153193620	DKKXMCOYDROLQV-NWDGAFQWSA-N	318.764	1.936	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1cc(-c2ccccc2)no1	156250315	KYQUARSJOVVSNE-UHFFFAOYSA-N	321.300	1.765	50	20	DDGD	
CNC(=O)Cc1ccc(NC(=O)NNc2ccc(C#N)cc2)cc1	154674159	PYDGINGBCALRKC-UHFFFAOYSA-N	323.356	1.995	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)C1CCCCC1	8192367	DVXZRKLYTPAMEL-UHFFFAOYSA-N	313.398	1.629	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H]1CCN(c2ccc(C)cc2)C1=O	172809482	VFDWVQISNGGQPJ-HFBDAHEESA-N	313.357	1.661	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2c[nH]nc2C)ccc1[N+](=O)[O-]	109858476	CHOWXGIEILGISE-UHFFFAOYSA-N	303.278	1.010	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H](C)Cc1ccc(OC)cc1	179889783	IMZIACKQSSPXJF-NSHDSACASA-N	307.419	1.555	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)c1ccc2c(c1)OCCO2)C1CC1	55095901	ZSUCDKGPTUISEB-NTMALXAHSA-N	302.330	1.575	50	20	DDGD	
Cc1noc(COC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)n1	28653767	LOIUQWYPDHCORT-UUILKARUSA-N	311.301	1.547	50	20	DDGD	
CNC(=O)NNC(=O)c1occc1COc1cccc(C#N)c1	102338509	AYNHCDNMANDLEL-UHFFFAOYSA-N	314.301	1.304	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)CC2CCOCC2)c1	117231450	COUXMRLMVXCFLY-UHFFFAOYSA-N	320.389	1.646	50	20	DDGD	
O=C(CCCc1nnc(-c2ccccc2)o1)NNc1cnccn1	114881561	BUYSLYHFEDWHCW-UHFFFAOYSA-N	324.344	1.993	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)c2ccoc2)o1	67688277	NWSXGQPKKNFXPY-UHFFFAOYSA-N	305.334	1.789	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2c(C)noc2C)cc1	60911602	SKRXSMUCSWKHFF-UHFFFAOYSA-N	317.345	1.694	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(N)nc(Cl)c2)n1	174483487	VAPXSAZKWXOPES-UHFFFAOYSA-N	308.729	1.181	50	20	DDGD	
Cc1ccc(Cc2nc(C(=O)NNC(=O)N(C)C)cs2)cc1	119096719	VUUWIOYPWXFTSW-UHFFFAOYSA-N	318.402	1.958	50	20	DDGD	
CCC(=O)N1CCCC[C@@H]1C(=O)NNc1ncccc1Cl	114882617	QQBUTRQPQUHGPK-LLVKDONJSA-N	310.785	1.969	50	20	DDGD	
O=C(Cn1cccn1)NNC(=O)c1c(Cl)cccc1Cl	170813539	PVVYXCRGZKBPRQ-UHFFFAOYSA-N	313.144	1.651	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CCNC(=O)c1cccs1	60526279	KMYGSNGLYVJSME-UHFFFAOYSA-N	313.379	1.424	50	20	DDGD	
Cc1cnc([C@H](C)NC(=O)NNC(=O)Cc2ccncc2)s1	78349477	GYZCBPPNKPXFDH-JTQLQIEISA-N	319.390	1.481	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNc1ccc(OC(F)F)cc1	121956656	NKFRURFJDKSACK-UHFFFAOYSA-N	315.320	1.893	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNc2ncnc3ccsc23)nn1	189511588	XCRAZMZSBFQKKJ-UHFFFAOYSA-N	317.378	1.795	50	20	DDGD	
CC(=O)c1ccc(OCCCC(=O)NNc2cccnn2)cc1	77032070	LVKAGKPBIFWSQL-UHFFFAOYSA-N	314.345	1.982	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cnc3[nH]nc(C)c3c2)cc1	79968540	FLLBUMZQPHNAOZ-UHFFFAOYSA-N	323.356	1.904	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C(=O)N1CCCC1)c1ccc(F)cc1	124219668	LKUJDPTVYQDDLG-ZDUSSCGKSA-N	321.352	1.089	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)n1	79503520	FTXVERDDVOHNIY-ZDUSSCGKSA-N	314.345	1.549	50	20	DDGD	
C[C@H](O)[C@@H](C)SCC(=O)NNC(=O)c1ccc(Cl)cc1	79060138	OJAHSJCWLJRKPD-DTWKUNHWSA-N	316.810	1.604	50	20	DDGD	
CSCCCNC(=O)NNC(=O)c1cccc2ncccc12	77669410	OMHNWCINALHALY-UHFFFAOYSA-N	318.402	1.932	50	20	DDGD	
Cc1ccc(NNC(=O)NCCOc2ccc(Cl)cn2)nn1	126495644	OZIOCSIQYZPBMG-UHFFFAOYSA-N	322.756	1.539	50	20	DDGD	
CCCc1noc2nc(C3CC3)cc(C(=O)NN(C)C(N)=O)c12	182649983	AKDMGUXRVXELOC-UHFFFAOYSA-N	317.349	1.708	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21	127251991	GSBUFFABFPJNLQ-JTQLQIEISA-N	307.325	1.445	50	20	DDGD	
C[C@H](CS(C)(=O)=O)NC(=O)/C(C#N)=C\c1ccc(F)cc1	182977330	TXZOEZGYIIEEOF-VPMLRQHESA-N	310.350	1.282	50	20	DDGD	
CC1(C)CCC(CC(=O)NNC(=O)C(=O)N2CCCC2)CC1	120431711	AESVPLBFVYGDAR-UHFFFAOYSA-N	309.410	1.363	50	20	DDGD	
CCc1ccnc(C(=O)NNC(=O)Cc2ccc(F)cc2)c1	181679754	FKLVGASIGZYPSD-UHFFFAOYSA-N	301.321	1.787	50	20	DDGD	
COc1ccccc1[C@H](C)CC(=O)NNC(=O)Cc1cc[nH]n1	186122766	VPIDKTIGUMZAQX-LLVKDONJSA-N	316.361	1.302	50	20	DDGD	
Cc1ccc(F)c(OCC(=O)NNC(=O)c2ccncc2)c1	130744128	CSVDIXNJIMUMLK-UHFFFAOYSA-N	303.293	1.369	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccncc2F)cc1	130680776	UUCQAYWUDKUUOS-UHFFFAOYSA-N	303.293	1.369	50	20	DDGD	
C[C@@H]1CC[C@H](CCC(=O)NNc2nc3ccccc3c(=O)[nH]2)O1	137184344	MIRZBYXKISVCQC-GHMZBOCLSA-N	316.361	1.714	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCn2ccnc2)cc1	193207848	GKDWCRWJORPNCH-UHFFFAOYSA-N	301.350	1.090	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)c1ccc(C)o1)c1ccco1	84455454	GFFVKGWMDLDYEI-SNVBAGLBSA-N	307.306	1.513	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1	44118696	RNGCFUFXTZFSOI-NSHDSACASA-N	322.321	1.197	50	20	DDGD	
COc1ccc(CCCCCC(=O)NNC(=O)C(C)(C)O)cc1	192916986	CCMZYYPXYODTTR-UHFFFAOYSA-N	322.405	1.716	50	20	DDGD	
O=C(Cn1cccn1)NNC(=O)c1ccc(Cl)cc1Cl	193162072	ZCSFNOQQUWQADJ-UHFFFAOYSA-N	313.144	1.651	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)[C@H]1C[C@]12CCCc1ccccc12	190076282	KTQHXJXMCXVYLM-DYVFJYSZSA-N	302.374	1.199	50	20	DDGD	
CC(C)(C)N1CCC(NC(=O)NNC(=O)c2ccccc2)CC1	193854559	LOTZCNHRGLZDSA-UHFFFAOYSA-N	318.421	1.894	50	20	DDGD	
Cc1cn2c(=O)c(C(=O)NNc3ccc(F)cc3)cnc2s1	91033341	NILFDJPPIDHZLX-UHFFFAOYSA-N	318.333	1.960	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)/C=C2/CC[C@@H](C)C2)c1O	268549316	CSNKBSCFDRCUHL-QLWWJYNRSA-N	304.346	1.908	50	20	DDGD	
C[C@H]1CC[C@@H](CCC(=O)NNC(=O)COc2ccccc2F)O1	266541930	GVNMBEZUOOADRA-RYUDHWBXSA-N	324.352	1.700	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCCCC(=O)NC)c1ccccc1	264785593	QKCDIAQIJGCNGJ-CYBMUJFWSA-N	320.393	1.037	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNc1ncnc2ccsc12	268988823	OOMNGPKZMQMSHV-UHFFFAOYSA-N	323.378	1.659	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)[C@H]1Cc2ccccc2O1	367752751	QHTJPQXJTNDCAD-CYBMUJFWSA-N	322.328	1.109	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(CC)[C@@H](C)CS(=O)(=O)CC	269477710	NRCOVZNZQOMXEP-UTEVDWOZSA-N	302.396	1.102	50	20	DDGD	
CO[C@H](C)CCNC(=O)NNC(=O)c1ccc2ccccc2n1	263756179	LFHDOHCQFWOFGI-LLVKDONJSA-N	316.361	1.604	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C2(C)CCCC2)nc1C	272171534	JSMZWVKXFJAHOV-UHFFFAOYSA-N	306.366	1.985	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1nnc(CC(F)(F)F)s1	274084071	HPERWWKYUANLOR-UHFFFAOYSA-N	309.273	1.206	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)[C@H]1CCCN1C1CC1	279803347	IQWQMTQDFFRHQA-SECBINFHSA-N	315.299	1.565	50	20	DDGD	
CN1C[C@@H](NC(=O)NNc2cc(Cl)cc(Cl)c2)CC1=O	276788208	CNIXJOOPTLMLDR-JTQLQIEISA-N	317.176	1.850	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2cncs2)nc1C	272238754	XAJOHRKDJDMHIG-UHFFFAOYSA-N	307.335	1.175	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@@H]2OCCc3ccccc32)n1	371235906	MTNTYQJDIJCDSM-CQSZACIVSA-N	313.361	1.300	50	20	DDGD	
CO[C@H](C)CCNC(=O)NNc1ccc2c(O)nccc2c1	287553579	CWMYVVRFUSADFN-SNVBAGLBSA-N	304.350	1.992	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)C2CCN(C3CC3)CC2)n1	280360793	VKYZOTWRQVEOQL-UHFFFAOYSA-N	310.789	1.030	50	20	DDGD	
CC(C)(C)n1ncnc1CNC(=O)NNc1cncc(Cl)n1	283333692	ZRZWXFUHVRVVOK-UHFFFAOYSA-N	324.776	1.303	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCc1ccc(N(C)C)cc1	281080277	FWMZLPBMPRKWNP-UHFFFAOYSA-N	306.435	1.367	50	20	DDGD	
CCCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)Nc1ccccc1	283800421	VRCCHHWUFWNKDI-CYBMUJFWSA-N	318.377	1.630	50	20	DDGD	
O=C(CSCc1ccncc1)NNC(=O)[C@H]1CCCCO1	295678149	XRPRQQNLXFQRGM-GFCCVEGCSA-N	309.391	1.031	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1ncoc1C1CC1	293311261	ZMRBNVDYCACESZ-UHFFFAOYSA-N	315.329	1.530	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNc1nc2ccccc2c(=O)n1C	294982346	SIKOULRDUDJUMC-GFCCVEGCSA-N	304.350	1.192	50	20	DDGD	
CCCN(CC)Cc1ccc(C(=O)NNc2nnc[nH]2)cc1	298103002	BYEBDVGPNSJEPT-UHFFFAOYSA-N	302.382	1.794	50	20	DDGD	
C[C@H](COc1cccc(F)c1)NC(=O)NNC(=O)C(C)(C)C	299050409	OXDGWHXLROPYFE-SNVBAGLBSA-N	311.357	1.970	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)[C@H]1CCCCO1)c1ccccc1	295392299	LOIUURHTMIYQLB-KGLIPLIRSA-N	306.362	1.481	50	20	DDGD	
COc1ncccc1CCNC(=O)NNC(=O)c1ccc(C)o1	291019751	SILNEGTYLQHNDX-UHFFFAOYSA-N	318.333	1.178	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@@H]1C[C@@H]1OCC	298681611	GBYWRKQLFYXOQS-RISCZKNCSA-N	322.361	1.037	50	20	DDGD	
Cc1ccc(NNC(=O)NCCCCCN2CCCC2)nn1	297000462	TZHDVHIBXPUASB-UHFFFAOYSA-N	306.414	1.677	50	20	DDGD	
C#Cc1cncc(C(=O)NNc2nc3ccccc3c(=O)n2C)c1	806852223	DZYXWQUUSMOKEE-UHFFFAOYSA-N	319.324	1.067	50	20	DDGD	
C=C(CBr)COC(=O)C(=O)N1CCC[C@H](C)C1	805558420	JKWBGSBHYWABSP-VIFPVBQESA-N	304.184	1.739	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccnc2C)cc1	801107016	KPDYHRRYLSSEEC-UHFFFAOYSA-N	312.329	1.098	50	20	DDGD	
CC1(C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1	802065995	GXISNRJBPHVUMB-UHFFFAOYSA-N	311.363	1.043	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H](O)c1ccccc1	808030007	SYVYXGZHCHSCTK-AWEZNQCLSA-N	318.304	1.789	50	20	DDGD	
C#Cc1cncc(C(=O)NNC(=O)c2cc(Cl)ccc2O)c1	806355644	YMDDYSNHSGJGLL-UHFFFAOYSA-N	315.716	1.497	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2ccc(F)cc2C#N)O1	292782138	PZJYCQCOXZZRHE-UFBFGSQYSA-N	306.297	1.418	50	20	DDGD	
Cc1cccc(C)c1OCCNC(=O)NNc1ncncc1F	293015475	PDWNAVRNTZUWHL-UHFFFAOYSA-N	319.340	1.938	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNC(=O)[C@H]1CCCCO1	295352765	ISWGYKGGYQLRLD-GFCCVEGCSA-N	307.350	1.119	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H]2CCCCO2)cnn1C(C)(C)C	295287091	DCLSTNKGIZIZFR-LBPRGKRZSA-N	308.382	1.277	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1nccn1-c1ccccc1	801759049	HSJLQBAORZKJNQ-UHFFFAOYSA-N	310.317	1.667	50	20	DDGD	
O=C(NNc1ncncc1F)C1CCN(CC(F)(F)F)CC1	293922746	HANLJZYWSWAIBG-UHFFFAOYSA-N	321.278	1.333	50	20	DDGD	
Cn1cc(Oc2ccccc2C(=O)NN=c2cc[nH]cc2)cn1	801186712	QMEGPHLITQDUST-UHFFFAOYSA-N	309.329	1.786	50	20	DDGD	
COc1ccc(OCC(=O)NN=C(C)C2CCN(C)CC2)cc1	814720431	PPANUMXRVRJWMT-UHFFFAOYSA-N	319.405	1.908	50	20	DDGD	
C[C@@H]1Cc2cc(C(=O)NN(C)C3CC3)ccc2N1S(C)(=O)=O	819642427	HHXHMWQBOCRSFX-SNVBAGLBSA-N	323.418	1.136	50	20	DDGD	
CCOc1ccc(NNC(=O)c2cc(C(=O)OC)no2)cc1	817915809	UGAITUAMXMKYSO-UHFFFAOYSA-N	305.290	1.617	50	20	DDGD	
O=C(C[C@@H]1CCC(=O)N1)NNc1ccccc1C(F)(F)F	816843979	JUPJPCLFIRNSPN-QMMMGPOBSA-N	301.268	1.817	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1ncc(Cl)s1	814763137	UGSNZMWTOXUMOF-VIFPVBQESA-N	316.814	1.215	50	20	DDGD	
CCOc1ccc([N+](=O)[O-])cc1C=NNC(=O)Cc1cc[nH]n1	814956923	HWBAEYKDNBPOOL-UHFFFAOYSA-N	317.305	1.409	50	20	DDGD	
CC(C)(C#N)[C@H]1CCCC1=NNC(=O)[C@H]1CCS(=O)(=O)C1	814782075	RAKYOGSPQGSDBR-QWRGUYRKSA-N	311.407	1.243	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CCCC#N)cc1	812447481	MHDZFVIBVKUJAV-GFCCVEGCSA-N	319.361	1.694	50	20	DDGD	
CSc1cccc(N2C[C@H](C(=O)NN(C)C3CC3)CC2=O)c1	819643402	AJZWBQWRGBXFEU-LLVKDONJSA-N	319.430	1.887	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCC1=O	824866834	NSBMRYSHPNLMRA-KOLCDFICSA-N	314.349	1.315	50	20	DDGD	
COC[C@@]1(CO)CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1	491012362	QYEDTYNHWSNCIG-QHIITQONSA-N	318.348	1.590	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@H]1CCN(C2CCCCC2)C1	822533165	VXBWRDRKVCCDOP-LBPRGKRZSA-N	319.409	1.366	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@@H]1CCS[C@H]1C	827650415	PVQKFDUYYHEQNP-WCQYABFASA-N	307.419	1.762	50	20	DDGD	
CC1=NO[C@@H](C(=O)NNC(=O)c2cccc(OC(F)F)c2)C1	826011845	JNPVJPZIDVMSIY-SNVBAGLBSA-N	313.260	1.214	50	20	DDGD	
COc1ccc(OC)c(NC(=S)NNC(=O)c2ccc[nH]2)c1	726446617	GSQFNUDAJMVCDG-UHFFFAOYSA-N	320.374	1.663	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O)C1CCCC1	821750854	SYADMBUFORHXFC-KGLIPLIRSA-N	321.421	1.505	50	20	DDGD	
Cc1c(C(=O)NN(C)[C@@H](C)CO)nnn1-c1ccccc1Cl	823959634	MYOLIWZRFAUJSX-VIFPVBQESA-N	323.784	1.187	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC[C@@H](c2ccccc2)C1	827307699	UHQACNYUZWQFNI-NWANDNLSSA-N	317.389	1.642	50	20	DDGD	
O=C(NNC(=O)c1cnn2cccc(Cl)c12)NC1CCCC1	824342121	CSUXPLUELJLWFF-UHFFFAOYSA-N	321.768	1.874	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@H]1CC1(F)F	822195923	OAXGKOJNYZLURC-SECBINFHSA-N	314.288	1.267	50	20	DDGD	
CC(C)CCOc1ccc(NC(=O)NNC(=O)C2CC2)nn1	825520189	VSRDSBLKJJMPAH-UHFFFAOYSA-N	307.354	1.464	50	20	DDGD	
C[C@H](C[C@@H]1CCCO1)c1nc(-c2cccc(B(O)O)c2)no1	585052643	SQXAJJUIQLDPAA-MFKMUULPSA-N	302.139	1.089	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)C[C@@H]1CC(=O)NC1=O	820008652	PQFXTJPPCRYUBR-NSHDSACASA-N	303.362	1.614	50	20	DDGD	
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccc(Cl)nc1	822411405	MPGCLCACFAKBGN-NXEZZACHSA-N	311.769	1.700	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(Cc1cccc(F)c1)C1CC1	827434711	JCWLZWPAWWONJT-UHFFFAOYSA-N	307.369	1.594	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)CCc2ccccc2)o1	820701443	WPVVOCLPIKJUOA-UHFFFAOYSA-N	315.373	1.524	50	20	DDGD	
CCOC(=O)c1cnc(NC(=O)[C@]2(C)C[C@@H]2Br)[nH]1	909989440	RHCYOTFFNNZYHT-WRWORJQWSA-N	316.155	1.698	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@H]1CCCCN1C	822728048	MKPBOPHECDQESU-GFCCVEGCSA-N	309.341	1.540	50	20	DDGD	
N#C[C@H]1CC[C@@H](NC(=O)NNC(=O)Cc2ccccc2F)C1	823891753	UZOWOSJOAPSVSX-CMPLNLGQSA-N	304.325	1.391	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2C[C@@H]2C(=O)O)cc1	736296368	APGGYSIVKABFGR-NEPJUHHUSA-N	304.346	1.466	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@]1(Cl)C[C@H]2CC[C@H]1O2	905343238	MYUSNGFBKUZGFV-DNSOKLHBSA-N	305.831	1.209	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N[C@H]1CCN(C(N)=O)C1	490877969	NERPZSMUTXTLKT-YLBKJLTLSA-N	302.309	1.002	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCc1cccc(OC(F)F)c1	823913210	QEUCIVQHRRURND-JTQLQIEISA-N	302.321	1.564	50	20	DDGD	
CC(=NNC(=O)CCNC(=O)OC(C)(C)C)c1ccccn1	495277568	WGZNPFHMWCYKFX-UHFFFAOYSA-N	306.366	1.837	50	20	DDGD	
COCCOc1ncccc1C(=O)NNc1nccnc1Cl	734261761	CERQYCPXTJQBEK-UHFFFAOYSA-N	323.740	1.307	50	20	DDGD	
COc1ccc(C=NNC(=O)CNC(=O)OC(C)(C)C)s1	494625508	SARPAZQBWQFYNK-UHFFFAOYSA-N	313.379	1.732	50	20	DDGD	
C#C[C@H](NC(=O)NNc1ccc(C(=O)OC)cc1F)C(C)C	491265813	MRYZMHIIGLARNY-LBPRGKRZSA-N	307.325	1.896	50	20	DDGD	
COCCN1CC[C@H](NC(=O)NNc2c(C)cc(C)cc2C)C1	739034309	HOXDBGFRKGHTDA-HNNXBMFYSA-N	320.437	1.959	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCOCC2CCCC2)o1	836672126	LVZYZFPZTYKKIG-UHFFFAOYSA-N	309.366	1.739	50	20	DDGD	
CNc1cc(C(=O)NNC(=O)c2cccnc2)cc(Cl)n1	731874594	OIBQNZKZQFSSEK-UHFFFAOYSA-N	305.725	1.247	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)c1ccc(N2CCCCC2)cc1	584911891	ITFRJVWHRJTGJI-UHFFFAOYSA-N	324.189	1.609	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)c2ncon2)[C@H]1Oc1ccccc1	901289823	MFYRYGLUZQSIAV-CHWSQXEVSA-N	316.317	1.412	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)N[C@H]1C[C@@H]2CCCCN2C1=O	836692127	OXUIDHITGPHLGT-UWVGGRQHSA-N	323.784	1.515	50	20	DDGD	
CCC[C@@H](CNC(=O)NNc1ccc(-n2ccnc2)nn1)OC	836523498	JVRAGXOSBUPJIE-NSHDSACASA-N	319.369	1.104	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C2CCCC2)cc(C(N)=O)c1	836736266	VUEZXCFVJRBQPU-UHFFFAOYSA-N	304.350	1.437	50	20	DDGD	
OB(O)c1cccc(CNC2CCN(Cc3ccccc3)CC2)c1	585013868	AFXWUGVKJXULGJ-UHFFFAOYSA-N	324.233	1.121	50	20	DDGD	
CC(C)N1CC[C@H](NC(=O)NNc2cccc(C(=O)O)c2)C1=O	833500737	SQXCFNTYBYRHQL-LBPRGKRZSA-N	320.349	1.020	50	20	DDGD	
Cc1ccc2c(c1)[C@H](NCc1ccc(B(O)O)cc1F)CCC2	585043347	NEKDMSOOHYKKEU-GOSISDBHSA-N	313.181	1.981	50	20	DDGD	
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)O	832885624	FZMCWCNOZLTXFF-UHFFFAOYSA-N	309.687	1.018	50	20	DDGD	
CCn1nc(C2CC2)cc1C(=O)NNC(=S)NC(C)(C)C	905342663	JUTYMFQKQJYJRM-UHFFFAOYSA-N	309.439	1.688	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@]1(C)CCC[C@H]1C	837932789	KPEUDMQMOQNCLI-BFQNTYOBSA-N	312.410	1.938	50	20	DDGD	
CN(CC(=O)NNC(=O)C1CC1)Cc1ccc(C(C)(C)C)cc1	733193139	FCVGBOCSZFPWBE-UHFFFAOYSA-N	317.433	1.973	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@](C)(O)C2CCC2)ccc1F	837039585	RKZYBPMUBVKLSQ-HNNXBMFYSA-N	310.325	1.607	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)[C@H]1[C@@H]2CCC(=O)[C@@H]12	905600955	VRGQEGURCXTLQG-USWWRNFRSA-N	323.443	1.011	50	20	DDGD	
CON(C)C(=O)CCC(C)=NNC(=O)CNc1ccccc1F	834920355	JNNIRIOATCDYBR-UHFFFAOYSA-N	324.356	1.530	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC2CCC(OC)CC2)n1	838758043	JUMAATJLECPARJ-UHFFFAOYSA-N	309.370	1.377	50	20	DDGD	
COC(=O)c1cc(OC(=O)C[C@H]2CCOC2)ccc1[N+](=O)[O-]	739568048	PTMBYGPBRBMRGL-SECBINFHSA-N	309.274	1.713	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)C(=O)NNc1nccnc1C1CCC1	837653649	ZYASECAZXMXHLV-NSHDSACASA-N	314.393	1.800	50	20	DDGD	
C[C@H]1CC[C@@H](CNC(=O)NNC(=O)c2ccc(Cl)cc2)O1	838743821	ZRUYEKNUZQEIFU-CABZTGNLSA-N	311.769	1.852	50	20	DDGD	
CC/C=C/CNC(=O)NNC(=O)c1ccc2c(c1)OCCO2	836573691	RKUSSYSJZQUZRW-ONEGZZNKSA-N	305.334	1.368	50	20	DDGD	
COC[C@H](C)OC(=O)/C(C#N)=C\c1ccc(S(C)(=O)=O)cc1	918154459	OGIQJYDJGKGLSE-LFTLCWSBSA-N	323.370	1.575	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNC(=O)OCC(F)(F)F	912597312	QGSJBXBYSRNEMH-HZGVNTEJSA-N	320.271	1.395	50	20	DDGD	
O=C(NNc1ccc(F)cc1Br)[C@@H](O)C1CC1	830772139	ZPQIMYKBYYUIHB-JTQLQIEISA-N	303.131	1.802	50	20	DDGD	
C[C@]1(c2cccs2)C[C@@H]1CNCc1cccc(B(O)O)c1	585024056	SMIMSVMVMXBQPC-CJNGLKHVSA-N	301.220	1.495	50	20	DDGD	
O=C(NNc1cc(O)nc2ncccc12)[C@H]1CC12CCOCC2	913993138	QTCQXGRVSHTDAK-LLVKDONJSA-N	314.345	1.595	50	20	DDGD	
CCN(CC(=O)NNc1ccc(C(=O)OC)cc1F)C1CC1	837206826	HQAIIIDGVVRSPQ-UHFFFAOYSA-N	309.341	1.540	50	20	DDGD	
C#CCOc1cccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	831448448	XXKDFJDTBWZHMN-FZMZJTMJSA-N	317.345	1.276	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(Oc2ccccc2F)nc1	910140266	YTZZVEVKDNMVEL-NSHDSACASA-N	319.336	1.970	50	20	DDGD	
C[C@@H](C[C@@H](C)N)NC(=O)NNc1cccc(Br)n1	831223657	FOPOWHLSMMMWJP-SFYZADRCSA-N	316.203	1.596	50	20	DDGD	
C[C@@H](C[C@@H](C)N)NC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	831212421	PMSPRMQHALQNEE-MNOVXSKESA-N	322.413	1.214	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2C[C@H](C)n3ccnc32)nc1	836627088	HDTAWQIOYNAXNQ-GXSJLCMTSA-N	302.338	1.619	50	20	DDGD	
CCc1csc([C@H](C)NC(=O)c2cc(B(O)O)ccc2F)n1	910713929	CSONRDIETUFUIC-QMMMGPOBSA-N	322.170	1.015	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(-c2c[nH]c3ccccc23)[nH]n1	910183636	NHNRVSBORHMAMP-JTQLQIEISA-N	313.361	1.515	50	20	DDGD	
CCOc1ccc(OCC(=O)NNC(=O)CC(F)(F)F)cc1	918365024	WWJPMQVPLIDCKK-UHFFFAOYSA-N	320.267	1.564	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1CCCS1	743367690	IVNRIBSCHIQRFO-JTQLQIEISA-N	300.405	1.429	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@]2(C)CCc3ccccc32)n1	844133943	HDTWTYHHBWSWLV-QGZVFWFLSA-N	311.389	1.890	50	20	DDGD	
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NNc1ccccc1Cl	748335494	UUOJRRBZXQISLY-UHFFFAOYSA-N	322.708	1.553	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC1CCN(CC(F)(F)F)CC1	742769462	GWVCANDYBXPIEW-UHFFFAOYSA-N	324.347	1.390	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCSc2ccccc21	742068741	BBTXHICDWJXHOO-LLVKDONJSA-N	316.386	1.759	50	20	DDGD	
CCOC(=O)C1(C(=O)NN=c2sc3ccccc3n2C)CC1	742243246	ROQYXHPCRHCYKI-UHFFFAOYSA-N	319.386	1.515	50	20	DDGD	
CC[C@H](C(=O)NN=Cc1c(C(=O)O)cnn1C)c1ccccc1	848405175	BRWPRYLJIMWOBE-LBPRGKRZSA-N	314.345	1.762	50	20	DDGD	
C[C@@]1(C(=O)N2CCN(C(=O)C3CC3)C2)C[C@H]1Br	911193851	IKVBBXRNVQCXET-BXKDBHETSA-N	301.184	1.198	50	20	DDGD	
COc1cc(C=NNC(N)=O)ccc1OC(=O)c1ccncc1	916247840	IXONKFLGXJDUDA-UHFFFAOYSA-N	314.301	1.312	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1ccc([S@@](C)=O)cc1	746369742	AEOVMXLLLYDLMN-OAQYLSRUSA-N	311.407	1.484	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)nn1C(C)(C)C	843645617	NHDXYWHHJXJXKI-MNOVXSKESA-N	308.382	1.133	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1ccccc1O)C1CCOCC1	746425164	DUISVPNCZSADMH-CYBMUJFWSA-N	321.377	1.541	50	20	DDGD	
O=C(COC(=O)CCC(F)(F)F)NNC(=O)c1ccccc1	745518730	MGLDONQQGYJUAE-UHFFFAOYSA-N	318.251	1.333	50	20	DDGD	
NC(=O)C(=O)NN=Cc1cc(Cl)ccc1Br	743421151	PVNVTQKWGGVJMM-UHFFFAOYSA-N	304.531	1.038	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@H](N)c1ccc(C(C)C)cc1	841936559	OEIDXPPWHBSPTQ-AWEZNQCLSA-N	322.409	1.177	50	20	DDGD	
CCN(CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)C1CC1	749410173	UBNLFCBFLPOVNQ-UHFFFAOYSA-N	319.449	1.835	50	20	DDGD	
CS(=O)(=O)c1ccc(C=NNC(=O)c2ccccc2)cc1	918150642	CJVLJZRIZQNXGH-UHFFFAOYSA-N	302.355	1.854	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C/C=C\c1ccccc1	916363090	QIIMIOONMIZPDU-OAHCRUFGSA-N	301.390	1.770	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@H]1CC[C@@H](C(=O)O)C1	846709074	YQWUXMWBALYHQR-JGVFFNPUSA-N	306.347	1.635	50	20	DDGD	
C[C@]1(C(=O)N2CCc3cnc(N)nc3C2)C[C@@H]1Br	912470983	WWEGBHWUQBNHFX-CABZTGNLSA-N	311.183	1.117	50	20	DDGD	
COC/C(C)=C\C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	846095009	XCCPKJLZPDDBPQ-LUAWRHEFSA-N	306.366	1.498	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(N2CCCCC2)o1	748259843	XZEUZCRNHAGYKE-CYBMUJFWSA-N	323.393	1.772	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C[C@]1(C)CC1(Cl)Cl	843658915	HDPMKBXSGDWZPR-VAOFZXAKSA-N	309.193	1.533	50	20	DDGD	
Cc1csc(CC(=O)NN=C2CCCc3c2cnn3C)n1	915956911	HLUQADIZBODIBB-UHFFFAOYSA-N	303.391	1.584	50	20	DDGD	
Cc1nn2c(C=NNC(=O)[C@H]3CCO[C@H]3C)c(C)nc2s1	842560733	HINVWDFZXYPYSV-WPRPVWTQSA-N	307.379	1.283	50	20	DDGD	
NC(=O)c1cc(C(=O)NNC(=O)c2ccc3ccccc3c2)c[nH]1	918110857	VVPRJWPOTKHWTQ-UHFFFAOYSA-N	322.324	1.342	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)Cc2cn3ccccc3n2)cc1	747638707	SFGFPZNJNAUJGO-UHFFFAOYSA-N	303.325	1.899	50	20	DDGD	
CC(C)(C)OC(=O)c1ccc(C(=O)NNC(=O)NC2CC2)nc1	843775368	WTFVUGSYNZAQDD-UHFFFAOYSA-N	320.349	1.143	50	20	DDGD	
NC[C@@H]1CC[C@H](NC(=O)NNc2ncnc3ccsc23)C1	842011020	PRGSZADJOHLMGB-BDAKNGLRSA-N	306.395	1.445	50	20	DDGD	
Cc1ncoc1CNC(=O)NC[C@@]1(C)C[C@@H]1Br	923371643	CQSHYHPBKSAONR-GXSJLCMTSA-N	302.172	1.956	50	20	DDGD	
CC(C)(C)OC(=O)c1ccc(C(=O)NNc2cnccn2)nc1	843859253	PFEPMSWVVAKRFY-UHFFFAOYSA-N	315.333	1.584	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)NC(=O)NNc1ccc(F)c(F)c1	922749560	NREAMTVQWJRVOO-SECBINFHSA-N	309.320	1.956	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)c1cccc(N(C)C)c1)C1CC1	920054509	QTMBSHQEVGSIDL-LLVKDONJSA-N	304.394	1.743	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)[C@H]1COCCN1CC(F)F	855465648	ULEWCXCHYKTZTM-SECBINFHSA-N	320.727	1.144	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCc2c(C3CC3)cnn2C)cn1	855791144	LJTNWZSINFXXOU-WLRTZDKTSA-N	310.361	1.254	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)C1CC(F)(F)C1	753565585	KODSHKKILNTKMV-UHFFFAOYSA-N	307.300	1.903	50	20	DDGD	
CC(C)(C)n1nnc(CC(=O)NNc2ccnc(Cl)c2)n1	855461735	GMGUKFZMFSPPMM-UHFFFAOYSA-N	309.761	1.162	50	20	DDGD	
N#Cc1cnc(C(=O)NNC(=S)NCC2CCC2)c(Cl)c1	855090711	NBOPVSBHLFAQTC-UHFFFAOYSA-N	323.809	1.516	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H]2C[C@@H]2C2CC2)c1	751739977	CWLQUBMBZXUDKK-KGLIPLIRSA-N	316.357	1.345	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1ccc(O[C@H]2CCOC2)cc1	853368628	NXTKRUFFNHKWPS-VBNZEHGJSA-N	318.373	1.729	50	20	DDGD	
COc1cc(C=NNC(=O)C(C)(C)C)ccc1OCC(=O)O	755649765	NTQRQCVJZZMHIT-UHFFFAOYSA-N	308.334	1.655	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1nc(Br)ccc1C	854920052	ICTDVGSBMDPRFY-UHFFFAOYSA-N	317.212	1.233	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNC(=O)c1cccc(F)n1	856423013	KANQKKIPYHSKTJ-QMMMGPOBSA-N	319.340	1.515	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCN1C1CC1	855626481	GRCRREXAJRROMF-CYBMUJFWSA-N	308.313	1.804	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NN=c1cc[nH]cc1Cl	757422392	SJLIXHIVAFFSRB-LBPRGKRZSA-N	324.812	1.637	50	20	DDGD	
O=C(NNc1cc(F)cc(Cl)c1)[C@H]1CCCS(=O)(=O)C1	855619759	CYIHOAWSPHLRRL-QMMMGPOBSA-N	320.773	1.747	50	20	DDGD	
CC1(CNC(=O)NNC(=O)CCCNC(=O)C(C)(C)C)CC1	852168276	RRDFHVYSKCWGIG-UHFFFAOYSA-N	312.414	1.059	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Nc2nnc3ccccn23)c1	756433563	QJIQXSYIAPLWBD-UHFFFAOYSA-N	321.300	1.067	50	20	DDGD	
CC1(C)CC(C(=O)NNC(=O)C(=O)NC2CC2)CC(C)(C)C1	854290769	DUFOENLZHNNJKC-UHFFFAOYSA-N	309.410	1.265	50	20	DDGD	
COC1CCN(C(=O)NC[C@@]2(C)C[C@H]2Br)CC1	856755275	TWXPZSHGKAKBGB-ZYHUDNBSSA-N	305.216	1.980	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cccc(NC(N)=O)c1)C1CC1	751619244	LSDNDNVKGFVWER-QMMMGPOBSA-N	321.406	1.085	50	20	DDGD	
C[C@H](C(=O)NC[C@@]1(C)C[C@@H]1Br)c1cnn(C)c1	857393711	MKSAWRXPZSAEDP-PTOFAABTSA-N	300.200	1.813	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc([S@](=N)(=O)O)cc2)o1	752527759	PGIMKBSUVPTQDC-UHFFFAOYSA-N	323.330	1.541	50	20	DDGD	
NC(=O)c1cc(C(=O)NNC(=O)c2ccc3ccccc3c2)co1	759533105	XQRFBYACCAJLFQ-UHFFFAOYSA-N	323.308	1.607	50	20	DDGD	
O=C(NNc1ccncn1)[C@@H]1CCCC[C@@H]1N1CCCC1=O	854746697	FFGGYPDPIVHPKP-NEPJUHHUSA-N	303.366	1.101	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(C#N)ccc1OCCOC	758013860	HVSMLGFXFGRBLF-UHFFFAOYSA-N	306.322	1.146	50	20	DDGD	
C#C[C@H](CC)NC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	854067658	BCIHYJKTHAAKEA-UONOGXRCSA-N	317.389	1.813	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H]1CCCN1C(C)C	935243551	WBVKSJFWUOEDBY-AWEZNQCLSA-N	305.378	1.789	50	20	DDGD	
CC(C)[C@@H]1OCCC[C@H]1CNC(=O)NNC(=O)C1CCCC1	753033414	CBGYQQIISWWJBC-KBPBESRZSA-N	311.426	1.958	50	20	DDGD	
CN(C)CCn1cc(C(=O)NNc2c(F)cccc2F)cn1	866869041	DKXHQHMIUJHNHI-UHFFFAOYSA-N	309.320	1.480	50	20	DDGD	
C[C@H](NNC(=O)c1nnc2ccccc2c1O)C(F)(F)F	862313812	ORAMFOSMQLGLLF-LURJTMIESA-N	300.240	1.521	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@H]1CCC(=O)[C@@H](C)C1	763997134	JXJBFFGQRYURML-AAEUAGOBSA-N	318.373	1.390	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@@H]1CC(=O)N(c2ccccc2)C1	760906144	NYCWXWBCQXEUEH-SNVBAGLBSA-N	315.308	1.112	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](O)c2cccnc2)c([N+](=O)[O-])c1	768329078	OCVLPSIFJBHOAT-CYBMUJFWSA-N	318.289	1.175	50	20	DDGD	
C[C@H](C(=O)NNc1ncnc2ccsc12)[C@@H]1CCC(=O)N1	860197316	UCMGYJXJGRFDMX-YUMQZZPRSA-N	305.363	1.049	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@H]1C[C@@]12CCOC2)c1ccccc1	763468185	UKKDCXBUVFPOSK-SUMWQHHRSA-N	302.374	1.538	50	20	DDGD	
CN(C)C1(C(=O)NNC(=O)c2cc3ccccc3cc2O)CC1	863853280	VEMTVAPWDGWGPY-UHFFFAOYSA-N	313.357	1.401	50	20	DDGD	
COC(=O)c1ccc(/C=C/C(=O)NNC(=O)C2CCCC2)o1	864845533	XLGQMAAWGHJYCP-VQHVLOKHSA-N	306.318	1.417	50	20	DDGD	
Cc1cc(C)c(NNC(=O)[C@H]2CN3CCCN2CC3)c(C)c1	764425342	VFVVZYMHOAKPQS-OAHLLOKOSA-N	302.422	1.445	50	20	DDGD	
CCc1cc(C(=O)OC)ccc1NC(=O)NNC(=O)CC1CC1	932816687	YMXYANJFMMRNPV-UHFFFAOYSA-N	319.361	1.988	50	20	DDGD	
COCCn1cc(C(=O)OC[C@H](C)CBr)cn1	869741983	CDTNEBWOBYVLFJ-SECBINFHSA-N	305.172	1.717	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCC(=O)N1)c1c(Cl)nc2ccccn12	863149408	YYLBYDLWURLMCA-SECBINFHSA-N	319.752	1.107	50	20	DDGD	
COc1ccccc1OCC(=O)NNc1nccnc1OC	764469981	AYQPMCWPFRGRBQ-UHFFFAOYSA-N	304.306	1.016	50	20	DDGD	
O=C(CCC(=O)c1ccc(Cl)cn1)NNC(=O)NC1CC1	768985347	SYMXPJCAANPBBA-UHFFFAOYSA-N	310.741	1.191	50	20	DDGD	
CCc1ccc(C=NNC(=O)Cc2cc(O)nc(S)n2)o1	760239068	GXIBOZLWBVQEOZ-UHFFFAOYSA-N	306.347	1.319	50	20	DDGD	
COc1ccc(C(=O)C(=O)NNC(=O)c2ccc[nH]2)cc1Cl	760814312	QGXXAFRRKGXGDU-UHFFFAOYSA-N	321.720	1.321	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@]2(C)CCc3ccccc3C2)n[nH]1	768277315	JOMMPBRAXZIJRW-QGZVFWFLSA-N	312.373	1.674	50	20	DDGD	
Cc1sc(=O)n(CC(=O)NNc2nc3ccccc3[nH]2)c1C	768504974	VEMZWIXUXDHDNM-UHFFFAOYSA-N	317.374	1.546	50	20	DDGD	
CCOc1cccc(C=NNC(=O)COc2ccccc2C#N)n1	763139486	GIGMWDUKZBUODR-UHFFFAOYSA-N	324.340	1.881	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNC(=O)CSc1ccccc1O	765250778	IBRSWKZIXDIZLI-NSHDSACASA-N	323.418	1.116	50	20	DDGD	
CC[C@H]1CN([C@@H](CC)C(=O)NNc2ccc(F)cn2)CCO1	874648441	PSAHJQHDCFWSAN-STQMWFEESA-N	310.373	1.553	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cc(F)c(OC)c(F)c1OC	879790458	AFFQYRIOWKFUGG-UHFFFAOYSA-N	319.264	1.717	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)C[C@@H]2CCC(=O)N2)c1	873754268	IKTBJEJHNVLJJP-NSHDSACASA-N	320.418	1.290	50	20	DDGD	
COCCOCC(=O)NN=C(CCOC)c1ccc(F)cc1	872401686	FKIQRUUMWNGFRH-UHFFFAOYSA-N	312.341	1.346	50	20	DDGD	
Cc1cc(NC(=O)NNc2nc(C)cc(C)n2)c(=O)n(C)c1	770074142	XUMLHSBIXAUBGM-UHFFFAOYSA-N	302.338	1.249	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)NC(C(C)C)C(C)C	770416650	VYRMPEIDFHCIGN-NSHDSACASA-N	303.403	1.049	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)NCCC(C)(C)C)nc21	770346803	ROZPYBCWHWZSGY-UHFFFAOYSA-N	307.358	1.131	50	20	DDGD	
O=C(NNc1ccc(F)cc1)[C@H]1CCCN1C(=O)C(F)(F)F	776326826	CYFKSSDSINMXKF-SNVBAGLBSA-N	319.258	1.822	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)N[C@H](C(C)(C)C)C(F)(F)F	775980165	FOQRYSOHLIJTDO-SNVBAGLBSA-N	320.315	1.946	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2C[C@H](C)CC2(C)C)c1	777596194	WFHCJZGZVFIKHS-CYBMUJFWSA-N	303.406	1.876	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc2n[nH]cc2c1	770245108	AHRZGCODGIUZFT-UHFFFAOYSA-N	309.420	1.035	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1)C(C)C	770218892	BZANNKVGXCZNBZ-GXFFZTMASA-N	312.341	1.411	50	20	DDGD	
O=S(=O)(CCCCl)NCCN1Cc2ccccc2C1	881811312	ULBIESNDXULOKG-UHFFFAOYSA-N	302.827	1.551	50	20	DDGD	
C[C@@H](CN(C)C(=O)NNC(=O)c1cccnn1)c1ccccc1	883850379	WQZYTIKLENDWRO-LBPRGKRZSA-N	313.361	1.567	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)/C=C\c1ccsc1	771900935	KULSFFQWPDGLGJ-WYGGZMRJSA-N	324.402	1.887	50	20	DDGD	
CC(C)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)c2cccnn2)C1	883325671	HYKNIVUIXNMQHY-VXGBXAGGSA-N	305.382	1.635	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)[C@H](C)C2)cc1O	882049946	JZDCKHRWPWFEEJ-GHMZBOCLSA-N	304.346	1.467	50	20	DDGD	
COC(=O)c1cnc(C(=O)NNc2cccc3cnccc23)cn1	779674595	LPQQNZDLKRCETH-UHFFFAOYSA-N	323.312	1.568	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@H](C)NC(=O)c1ccccc1	887139167	DNNDMWGHAHUCAS-ZDUSSCGKSA-N	315.373	1.146	50	20	DDGD	
CCc1cncc(C(=O)NNC(=O)COc2ccccc2O)c1	789935465	JQHOUSDRPQDWKE-UHFFFAOYSA-N	315.329	1.190	50	20	DDGD	
COc1cc(C(=O)NNc2cnccn2)cnc1Br	788532537	ATUICRFHUUFQKY-UHFFFAOYSA-N	324.138	1.400	50	20	DDGD	
C=C(CBr)n1cc(CCN2CCC(N)CC2)nn1	881316180	NHQXOWQOPTUHFY-UHFFFAOYSA-N	314.231	1.109	50	20	DDGD	
Cn1cnc(NC(=O)NC[C@]2(C)C[C@H]2Br)cc1=O	888495594	AMQYMHIVHNTVCA-HQJQHLMTSA-N	315.171	1.075	50	20	DDGD	
Cc1cc(C(N)=O)ccc1NC(=O)NNc1ncncc1Cl	782014271	ULDUYIPCMHYCFP-UHFFFAOYSA-N	320.740	1.686	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1CCc2nnc(O)n2C1	1120734138	ISNNGFNNVLPIRQ-GFCCVEGCSA-N	315.377	1.560	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N=S1(=O)CCOCC1	891365010	CDFBLZHRHRILHA-QMMMGPOBSA-N	312.229	1.821	50	20	DDGD	
O=C1Nc2ccc(Br)cc2C1=NNC(=O)C(F)F	782237640	NPNJHVODRFUQOP-UHFFFAOYSA-N	318.077	1.487	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCC1(SC)CC1	789296125	VXEWMJJRUFIBIN-UHFFFAOYSA-N	309.391	1.535	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)COc2cccnc2)c1	780800235	CQQFOXKPRRVJAG-UHFFFAOYSA-N	301.302	1.390	50	20	DDGD	
CCCc1csc(NC(=O)C(=O)NNc2cc(C)ncn2)n1	789756305	AMTYCSKMDVKJER-UHFFFAOYSA-N	320.378	1.276	50	20	DDGD	
CC[C@H](C)CC[C@H](O)CC(=O)NNC(=O)Cc1cccnc1	793422653	BVHVMVQUBZIBIE-JSGCOSHPSA-N	307.394	1.349	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=Cc1ncc(Cl)n1C	799467704	FPIWILIXAQAGBZ-UHFFFAOYSA-N	316.752	1.794	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2cc(O)ccc2[N+](=O)[O-])n1	794565237	QSDGNJFWYVRRLH-UHFFFAOYSA-N	300.274	1.768	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H](C)Cc2ccncc2)n1	792973843	IZBMQAWPFLYJQY-GFCCVEGCSA-N	313.361	1.360	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cc(C(F)(F)F)n[nH]1	799480894	AKTSILVMPADPHD-UHFFFAOYSA-N	319.287	1.183	50	20	DDGD	
O=C(NNC(=O)c1ccc(F)c2ccccc12)C(=O)NC1CC1	794880782	HSZGBGREWJQTGJ-UHFFFAOYSA-N	315.304	1.019	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)Cc1ccn(C)n1	798141863	CPWQTVACWJESMQ-UHFFFAOYSA-N	308.773	1.673	50	20	DDGD	
CC(C)n1ccc(NC(=O)NNC(=O)c2ccc(Cl)nc2)n1	797680330	CERSGFIPMQDLCZ-UHFFFAOYSA-N	322.756	1.979	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccc(OC(F)F)c(Cl)c1	1318907885	BBDASDWKCCDIJI-UHFFFAOYSA-N	306.652	1.565	50	20	DDGD	
O=C(CCO)NN=C1CCc2c(F)cc(Br)cc21	1319066067	CXZYDWLOSHOEQB-UHFFFAOYSA-N	315.142	1.737	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)CCN1CCC(C)CC1	1317712904	XFZQUTDIYCWTSE-UHFFFAOYSA-N	305.426	1.609	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)C(C)C)cc1OCC(N)=O	1317918646	YMWOPSHWHDFEND-SDQBBNPISA-N	302.330	1.691	50	20	DDGD	
COc1ccc(Br)cc1C=NNC(=O)CCO	1318930827	GWOWZLRWLYCFQS-UHFFFAOYSA-N	301.140	1.290	50	20	DDGD	
COc1cccc2c1CC[C@@H]2NC(=O)NNC(=O)c1cn[nH]c1	1328804983	XYPAYCPJVSMEIS-LBPRGKRZSA-N	315.333	1.050	50	20	DDGD	
Cc1c(C#N)cccc1C(=O)NNC(=S)NCC1CCC1	1329291741	NDUSFGAAWOTTSX-UHFFFAOYSA-N	302.403	1.776	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1cncc(Br)c1)N(C)C	1320252000	BYJZAXRCQIHOOW-LLVKDONJSA-N	315.215	1.873	50	20	DDGD	
C=C[C@@H](COC)NC(=O)NNc1ccc(C(=O)OC)c(F)c1	1325480118	KWRNMSALZLYCDI-VIFPVBQESA-N	311.313	1.439	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1	1320826374	BWBWRAMCIZUZJZ-GFCCVEGCSA-N	315.381	1.029	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc(OCC(F)F)nc1	1323091887	BGTBYTSWALVYEA-UHFFFAOYSA-N	318.349	1.243	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cnn(Cc2cccnc2)c1	1320511843	RFXPIPTVVAGPFM-UHFFFAOYSA-N	304.310	1.109	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)C2(Oc3ccccc3)CC2)n[nH]1	1329584293	QXBZWYYTPGUTOJ-UHFFFAOYSA-N	314.345	1.020	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cccc(C#N)c1C	1333778647	NNCNVIHTNSNMQY-UHFFFAOYSA-N	320.418	1.354	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H]2CCCC[C@H]2N(C)C)n1	1339820305	WXAQMIODGZFBHE-NWDGAFQWSA-N	322.413	1.293	50	20	DDGD	
CCOc1cc(C(=O)NC[C@@]2(C)C[C@@H]2Br)[nH]n1	1334841313	MUWBPONTSYHTFC-GZMMTYOYSA-N	302.172	1.712	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CC(C(=O)OC)C2)cc1	1339298975	TYAJIFNJLYBOLM-JYRVWZFOSA-N	314.341	1.624	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@@H]2Cc3ccccc3S2)c1Cl	1333510798	XXUHEXUTKPHDPJ-JTQLQIEISA-N	321.793	1.872	50	20	DDGD	
Cc1c([C@@H](C)NC(=O)NNc2ncncc2Cl)cnn1C	1338536354	NUCDVHXBOOENCE-SSDOTTSWSA-N	309.761	1.559	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc2c(cc1Cl)NC(=O)C2	1344524166	OORSRTGKUDEVGG-UHFFFAOYSA-N	324.793	1.130	50	20	DDGD	
CC(C)(C)OC(=O)CCCC(=O)NNC(=O)c1ccccn1	1261497697	HZIMSZNZQKPLBU-UHFFFAOYSA-N	307.350	1.355	50	20	DDGD	
Cc1ccccc1NNC(=O)CNS(=O)(=O)c1ccccc1	1261204858	HKSDFZZOPDSZRU-UHFFFAOYSA-N	319.386	1.417	50	20	DDGD	
C[C@@]1(NC(=O)NNc2ccc(OC(F)F)cc2)CCOC1=O	1348577616	QMQVUIFKUCQKTH-CYBMUJFWSA-N	315.276	1.620	50	20	DDGD	
O=C(NN=Cc1cccc(F)c1O)c1n[nH]c2c1CCCC2	1341146168	VIEALSSDIDEIRB-UHFFFAOYSA-N	302.309	1.897	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)N[C@H]2CCOC2=O)cc1	1346113627	JQKSPNJFLRPJDM-LBPRGKRZSA-N	319.361	1.244	50	20	DDGD	
CC1=NO[C@](C)(C(=O)NNC(=O)COc2ccc(C)c(C)c2)C1	1353287771	PZXLABZCJCNXKA-INIZCTEOSA-N	319.361	1.385	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)[C@@H]3C[C@@H]3F)n[nH]2)cc1C	1519840339	FABRNYJTQJWYGW-NEPJUHHUSA-N	316.336	1.813	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccc(C(=O)O)cc2)o1	1600341155	PTKGDRLYCWVIIU-UHFFFAOYSA-N	302.286	1.290	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(F)c(C(=O)O)c1)[C@H]1CCCNC1	1604290215	DPMFKCKFVVLARN-ZJUUUORDSA-N	324.356	1.538	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2ccnc(-n3cccn3)c2)c1	1608936196	FDLWUXRFRZXMRL-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
O=C(O)COc1cccc(NC(=O)NNC(=O)c2ccoc2)c1	1602094782	ZORVHGPBCXJWNH-UHFFFAOYSA-N	319.273	1.210	50	20	DDGD	
COC(=O)CCCNC(=O)NNc1ccc(C(=O)O)c(F)c1	1606453405	XRYIQGVKQYLPDV-UHFFFAOYSA-N	313.285	1.103	50	20	DDGD	
CCC[C@H](C=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)OC	1609204496	FZMHVGMYKGDCCI-GFCCVEGCSA-N	302.338	1.397	50	20	DDGD	
O=C(O)[C@@H](O)C1CCN(C[C@@H](CBr)C2CC2)CC1	1608557383	KESKUCJFNUFVOI-NEPJUHHUSA-N	320.227	1.565	50	20	DDGD	
CC(C)Oc1ccc(C(=O)O)cc1NC(=O)NNC(=O)C1CC1	1609713536	UEFDJTNFQLMDRL-UHFFFAOYSA-N	321.333	1.735	50	20	DDGD	
Cc1nc([C@@H](C)NC(=O)NNc2cccc(C(=O)O)c2C)no1	1600687386	KBCXDUUZCIZZIK-MRVPVSSYSA-N	319.321	1.772	50	20	DDGD	
O=C(O)CCCC(=O)NNc1ccc(Br)nc1	1601978914	KDKWSDZYSFWFHF-UHFFFAOYSA-N	302.128	1.542	50	20	DDGD	
Cn1ccc(C=NNC(=O)[C@@H]2CCCO[C@@H]2c2ccnn2C)c1	1549322621	ZXQRFUMEHXMBMP-HIFRSBDPSA-N	315.377	1.377	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1cccc(C)c1	1549317034	VHVSVTVFNLNBEQ-HOTGVXAUSA-N	301.390	1.698	50	20	DDGD	
CCCCNC(=O)NN=C[C@@H]1CCCO[C@@H]1c1nccn1C	1552447292	RBSCTPVPJFPJGX-STQMWFEESA-N	307.398	1.973	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C2(NC3CC3)CCC2)c1	1579768071	NYRYVXXBSFMYSF-UHFFFAOYSA-N	318.446	1.987	50	20	DDGD	
CC(C)CC[C@H](N)C(=O)NNC(=O)c1cccc(N(C)C)c1	1575560913	PDJCSPHTUWBYIM-AWEZNQCLSA-N	306.410	1.277	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CCc1cnc(N)s1	1578880295	JLGWYTICVTWKIG-UHFFFAOYSA-N	320.374	1.588	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1cccc(-c2nn[nH]n2)c1	1589184145	OYLOGLSFRMNJQN-UHFFFAOYSA-N	319.325	1.428	50	20	DDGD	
COC[C@@H](C)C(=O)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846386779	WVAMBFUCLMNJAR-SECBINFHSA-N	323.220	1.276	50	20	DDGD	
C=CC[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1	1841353844	UHTOXAMSONCOCW-NEPJUHHUSA-N	314.813	1.002	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)Cn2ccnc2)C1	1842509627	NCJWSWJWLPJZRJ-GFCCVEGCSA-N	324.812	1.104	50	20	DDGD	
CC1(C)CO[C@@H](CCC(=O)NNc2ncccc2C(=O)O)C1	1589231686	CORITPXINHGOOJ-JTQLQIEISA-N	307.350	1.818	50	20	DDGD	
CC(=O)CCC(=O)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846387057	BYQMTGLLDDEWBK-UHFFFAOYSA-N	321.204	1.363	50	20	DDGD	
C[C@@H]1CCc2nc(C(=O)NNc3ccccc3C(=O)O)cn2C1	1594447834	JPHCVGOZZZXAJG-SNVBAGLBSA-N	314.345	1.921	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnco1	1847925792	LCZDATFECMCLPV-DCAQKATOSA-N	311.769	1.507	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)OC	1847868057	QKEJSNAXVBOUBU-VOAKCMCISA-N	316.829	1.631	50	20	DDGD	
O=C(NN=C[C@H]1CCCSC1)c1cccc(-c2nn[nH]n2)c1	1593155648	WAJCWNOSMOPCMD-SNVBAGLBSA-N	316.390	1.726	50	20	DDGD	
COCCn1ccc(C(=O)NNc2ccc(F)c(C(=O)O)c2)n1	1599270755	COMQUNQRHMDZBG-UHFFFAOYSA-N	322.296	1.124	50	20	DDGD	
COc1ccc(C)c(C=NNC(=O)c2ncccn2)c1C(=O)O	1776082045	SLHRWJLGPUMMLY-UHFFFAOYSA-N	314.301	1.256	50	20	DDGD	
CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)CCl)[C@H]2C1	1783846578	MIQDKBUPUNDYRN-AVGNSLFASA-N	316.829	1.251	50	20	DDGD	
CCCCNC(=S)NNC(=O)Cc1nc2ccccc2n1C	16275922	QFZPDCYPHWMEHL-UHFFFAOYSA-N	319.434	1.411	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2	162757654	KWSRBIBLISCHGK-RTXFEEFZSA-N	318.377	1.306	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNC(=O)N[C@H]1C=CCCC1	158794026	ANNYMESTLUVNAV-ZDUSSCGKSA-N	314.345	1.376	50	20	DDGD	
Cc1ccc(C(=O)NCCSSCCC(=O)O)nn1	2088599407	RUWHSFWQJRLJEL-UHFFFAOYSA-N	301.393	1.371	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)Cc1cc[nH]n1)c1ccc(F)cc1	106416803	HUVUJJKQPLPORY-NTMALXAHSA-N	302.309	1.342	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CCc1cnn(C)c1	58861247	DPIRWGVRHQGDOG-UHFFFAOYSA-N	301.350	1.514	50	20	DDGD	
CN(C)N(C(=O)C1CCCCCC1)[C@@H]1CCS(=O)(=O)C1	102832621	RZSKQWHSBYUUGV-CYBMUJFWSA-N	302.440	1.449	50	20	DDGD	
O=C(/C=C/c1cccnc1)NNC(=O)Cc1cn2ccccc2n1	173884950	IMPZQGRJRYLYDL-VOTSOKGWSA-N	321.340	1.133	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNc1nccnc1Cl	173615223	GDKDRKWZVHABCH-MRVPVSSYSA-N	322.800	1.802	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)Cc1cccc(C#N)c1	109829357	WNTBWKHIUITPFW-CYBMUJFWSA-N	316.405	1.572	50	20	DDGD	
COC[C@@H](C)OC(=O)/C(C#N)=C/c1cccc2c1OCCO2	54801846	AMGFQDNMEYMDSW-KAQJVSAMSA-N	303.314	1.943	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@H]1CCOc2ccccc21	108887275	NWOQSOLQTAMIKC-LLVKDONJSA-N	305.378	1.929	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cn1c(C)cc2ccccc21	52539518	CBHIMDCHADDWOX-UHFFFAOYSA-N	302.403	1.631	50	20	DDGD	
CN(C)C(=O)Cc1ccc(NC(=O)NNC(=O)C(C)(C)C)cc1	179765515	GIUSWYHFKJAUOU-UHFFFAOYSA-N	320.393	1.516	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccc[nH]1)N1CCc2ccccc2C1	111542260	CBQIQJAFYOWWNM-GFCCVEGCSA-N	312.373	1.223	50	20	DDGD	
C[C@H]1CC[C@@H](NC(=O)NNC(=O)Cc2cccnc2)[C@H](C)C1	113401250	RBUXDBLPNHINLA-OUCADQQQSA-N	304.394	1.779	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC(C)(C)c1cccc(C)c1	66701982	PJOAUHULHJODAH-UHFFFAOYSA-N	307.394	1.640	50	20	DDGD	
O=C(CC[C@@H]1CCOC1)NNc1nc(-c2ccccc2)no1	176044409	ASRGOSZEZUUFHR-LLVKDONJSA-N	302.334	1.996	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccon2)ccc1OC(C)C	67286515	DLUDOUISUNAROW-UHFFFAOYSA-N	319.317	1.545	50	20	DDGD	
COc1ccnc(C(=O)NNC(=O)c2ccc3ccccc3n2)c1	116161181	JFBYERJUFCQRNV-UHFFFAOYSA-N	322.324	1.713	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccc(N2CCCC2=O)c1	64426032	YREFYUCFGOJNJE-UHFFFAOYSA-N	318.377	1.558	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)cn1	175537308	VAYDOBRGZRCIBG-VIFPVBQESA-N	308.407	1.388	50	20	DDGD	
N#CCCn1ccc(NC(=O)NNc2ccc(Cl)nn2)n1	179868545	OFJYWMYKTXDLKO-UHFFFAOYSA-N	306.717	1.389	50	20	DDGD	
CCSc1ccc(C(=O)NNC(=O)c2cccn2C)cn1	68719848	BEHVUVLTJYPOFH-UHFFFAOYSA-N	304.375	1.607	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-]	60436845	VYEZNGLPKDFIAX-UHFFFAOYSA-N	317.323	1.151	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Cc1ccoc1	118983599	PQIPRPXZBVVMEK-JTQLQIEISA-N	306.293	1.576	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cccc(F)c2F)nc1	179787328	NANJCCLOWJLVFB-UHFFFAOYSA-N	307.256	1.903	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCC2(C)CCCCCC2)cn1	179723937	GTMACVGULMIEGQ-UHFFFAOYSA-N	307.398	1.725	50	20	DDGD	
Cc1cccc(NC(=O)NNC(=O)C(=O)N2CCCC2)c1C	122172817	GPMAOPONVBPTSN-UHFFFAOYSA-N	304.350	1.079	50	20	DDGD	
COC(=O)/C(C#N)=C/c1ncc(I)s1	307409598	QHLGJZJCIZUTJU-GORDUTHDSA-N	320.111	1.828	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2C[C@H]2c2ccco2)c(O)c1	127560845	RAGJRAAWYAOYID-VXGBXAGGSA-N	300.314	1.858	50	20	DDGD	
COc1ncccc1NC(=O)C(=O)NNc1cccc(Cl)c1	120193311	JPOVMYPMWCGZGY-UHFFFAOYSA-N	320.736	1.825	50	20	DDGD	
COC[C@H](C)NC(=O)NNC(=O)c1cn(C)c2ccccc12	73384698	WHSBWTSAAMXEBF-JTQLQIEISA-N	304.350	1.157	50	20	DDGD	
CN(NC(=O)c1cc(N2CCCC2=O)ccc1Cl)C(N)=O	182643284	PGVKXDNRUSVDNS-UHFFFAOYSA-N	310.741	1.122	50	20	DDGD	
O=C1NC(=O)[C@@]2(CCCN(C(=O)c3cccc(CCl)c3)C2)N1	316722893	FSNDISYUEPQOMW-HNNXBMFYSA-N	321.764	1.240	50	20	DDGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C(=O)NC(C)(C)C	188284586	APUZAJJSEVKUSB-KWJWQAOWSA-N	315.373	1.719	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C(C)(Cl)Cl)cc1	181876961	UXDZQOSPZMEUBR-UHFFFAOYSA-N	304.177	1.748	50	20	DDGD	
COc1ccnc(NNC(=O)NCCc2cccc(F)c2)n1	45132403	YPNZKXPATJYWLK-UHFFFAOYSA-N	305.313	1.493	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNC(=O)NCc1ccc(Cl)cc1	191608853	IBLVWUNYJLBSGK-AWEZNQCLSA-N	313.785	1.722	50	20	DDGD	
O=C(NC[C@@H]1Cc2ccccc21)NNC(=O)c1ccccc1O	194193621	UZEOYAGXPLJZFS-LBPRGKRZSA-N	311.341	1.676	50	20	DDGD	
C[C@@H](C(=O)NNc1nc2ccccn2n1)N1[C@H](C)CC[C@H]1C	191891348	XYUALEXQBLJAIR-UTUOFQBUSA-N	302.382	1.434	50	20	DDGD	
CC[C@@H](C)[C@@H](C)NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	98120445	CMIRWOQLPCWYNL-NXEZZACHSA-N	308.338	1.973	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1coc2ccccc12	91822122	PODRPBKGJIVZBS-UHFFFAOYSA-N	309.416	1.905	50	20	DDGD	
CCn1cc(CNC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)cn1	265449983	ZLAFJPRRLMWSKQ-PJQLUOCWSA-N	322.372	1.645	50	20	DDGD	
Cc1cc(C)c(OCC(=O)NNC(=O)c2cccn2C)c(C)c1	263823988	RCQXZBFJPMHIJK-UHFFFAOYSA-N	315.373	1.790	50	20	DDGD	
COc1cccc([C@@H](C)NC(=O)NNC(=O)c2cnn(C)c2)c1	265429894	RPBBARRNXMCMCJ-SNVBAGLBSA-N	317.349	1.134	50	20	DDGD	
CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NNC(=O)c1cc(C)n[nH]1	268871990	UQYZFLHRRGWGRJ-OSMZGAPFSA-N	322.409	1.853	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccc(F)cc1)C1CCCCC1	267877072	DPWGPSNZEMXVBF-UHFFFAOYSA-N	307.369	1.851	50	20	DDGD	
O=S(=O)(CBr)N1CCC[C@H]1CN1CCCC1	363701778	DDJOWYODBPZWOH-JTQLQIEISA-N	311.245	1.229	50	20	DDGD	
O=C(NNc1nccc(N2CCOCC2)n1)[C@H]1CCCCS1	273086999	NFCXYTURWZPQIG-LLVKDONJSA-N	323.422	1.042	50	20	DDGD	
C[C@H]1[C@@H](N2CCCC2)CCN1CCI	367889676	DPQQPLVNHKBIIU-QWRGUYRKSA-N	308.207	1.980	50	20	DDGD	
CCONC(=O)NNC(=O)CSc1ccc(Cl)cc1	274848674	AMQZSWHLIVJNAV-UHFFFAOYSA-N	303.771	1.714	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1ccc(F)c(C#N)c1	274222405	JWKVJCXHKARPAW-UHFFFAOYSA-N	322.296	1.192	50	20	DDGD	
CC(C)C(C)(C)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1	275746829	CSEWEMLFDXQADF-UHFFFAOYSA-N	316.365	1.106	50	20	DDGD	
COCCOc1cc(C(=O)NNc2ccc(OC)cc2)ccn1	272286286	UOHCNFWHEOERKN-UHFFFAOYSA-N	317.345	1.872	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc(NC(=O)C(C)C)c1	274457479	VXELYDWSDVBMEF-UHFFFAOYSA-N	321.381	1.979	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@@H]1CCc2nccn2C1	376439568	CSZJLXZHBYCSBV-GFCCVEGCSA-N	312.377	1.646	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)Cc1ccc(F)cc1	280368019	VFDGVKIEDUMLLX-ZYHUDNBSSA-N	306.337	1.521	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(F)cc1C(=O)N(C)OC	283925055	LJVKQFZELUIJSH-MDZDMXLPSA-N	321.308	1.842	50	20	DDGD	
CC1CCC(OCC(=O)NNc2ncnc3nc[nH]c23)CC1	280825724	YPYBVZLQMGIZRS-UHFFFAOYSA-N	304.354	1.391	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CNC(=O)C(C)(C)C	288566234	FRLDMCKXSFJEHJ-UHFFFAOYSA-N	308.338	1.509	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1nc(C)oc1C	292671232	MFRXZYMEFRXTAF-UHFFFAOYSA-N	317.345	1.694	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)NC[C@H]1CCOC1	298525306	CCEGJJQVKNSVIO-SECBINFHSA-N	313.789	1.916	50	20	DDGD	
CC[C@@H](C(=O)NNc1ncccc1F)N1CCO[C@H](CC)C1	804216780	YZKCNFDPACYBPC-YPMHNXCESA-N	310.373	1.553	50	20	DDGD	
C[S@](=O)Cc1ccc(CNC(=O)NNc2cccnn2)cc1	805869053	QSMCWWDKJUHLNR-QFIPXVFZSA-N	319.390	1.181	50	20	DDGD	
N#Cc1cc(C(=O)NNc2cc(Cl)nc(N)n2)ccc1F	803096139	CCMAGXPAGRWIMB-UHFFFAOYSA-N	306.688	1.480	50	20	DDGD	
CCCCCOCC(=O)NNC(=O)CCOc1ccccc1	299433728	QVCYTPAYEIMECG-UHFFFAOYSA-N	308.378	1.810	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)c(F)c1	802024279	BOEQDMHGWAORKY-UHFFFAOYSA-N	317.324	1.175	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)ncn1	802000808	RNZZEMIXZGAMCZ-UHFFFAOYSA-N	307.260	1.530	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1O)c1cnc(S)[nH]1	800689609	QSFNAXUKDIGPMO-UHFFFAOYSA-N	312.738	1.132	50	20	DDGD	
O=C(NNC(=O)c1[nH]nnc1-c1ccccc1)Nc1ccccc1	801988089	KDZGHWSCCJLALX-UHFFFAOYSA-N	322.328	1.938	50	20	DDGD	
CC1(C)CC[C@@H](C(=O)NNc2ccc(-n3ccnc3)nn2)C1	804955869	VZBURYCJYGWELY-LLVKDONJSA-N	300.366	1.932	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc(F)c(Cl)c1F	295269790	BSVVDPJHJSIDHS-VIFPVBQESA-N	318.707	1.948	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1c[nH]nc1[N+](=O)[O-]	807779310	MTKOOSWCSQEAEE-UHFFFAOYSA-N	303.282	1.132	50	20	DDGD	
CSc1nnc(CNC(=O)NNc2ncccc2F)s1	805322715	FSRHTAUWZDLERB-UHFFFAOYSA-N	314.371	1.620	50	20	DDGD	
CN(NC(=O)c1ccc2c(c1)C(=O)NC2=O)C(=O)OC(C)(C)C	297718016	QQIQQXPTDVUCRC-UHFFFAOYSA-N	319.317	1.082	50	20	DDGD	
CSC1(CNC(=O)NNc2ccc(-n3ccnc3)nn2)CC1	805387644	MSQPYVVETBORHS-UHFFFAOYSA-N	319.394	1.184	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1cccc(C(F)(F)F)n1	801623527	OREVKDMVMCGACF-UHFFFAOYSA-N	318.299	1.850	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(-n2c(C)cnc2O)cc1	804124843	DCTOSQBVYMTYDI-UHFFFAOYSA-N	304.306	1.229	50	20	DDGD	
Cc1cc(NNC(=O)Cc2n[nH]c3c2CCCC3)nc(C)n1	806890341	YHXOCHDAHDGPDL-UHFFFAOYSA-N	300.366	1.381	50	20	DDGD	
COc1c(C)cc(C(=O)NNC(=O)N=c2cc[nH]cc2)cc1C	802030948	ZUBIXGJFWZUZMF-UHFFFAOYSA-N	314.345	1.595	50	20	DDGD	
COCCCCC(=O)NNC(=O)CNc1ccc(OC)cc1	299386749	PXXPNLXMERMCNS-UHFFFAOYSA-N	309.366	1.071	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2oc(C)cc2C)cc1	801108273	KDLJOXWFNTWORF-UHFFFAOYSA-N	315.329	1.605	50	20	DDGD	
Cn1ncc(C=NNC(=O)COc2ccccc2F)c1Cl	814722812	PYFPLZTZKXHLQJ-UHFFFAOYSA-N	310.716	1.742	50	20	DDGD	
Cc1cccc2c(C(=O)NNC(=O)N3CCN(C)CC3)coc12	819936498	YPPRZHPDSOMPNT-UHFFFAOYSA-N	316.361	1.343	50	20	DDGD	
O=C(NN=C1CC[C@@H](c2ccccc2)C1)[C@H]1CCS(=O)(=O)C1	814781202	BBDIRHYUCMLUQX-KGLIPLIRSA-N	320.414	1.861	50	20	DDGD	
C[C@H]1Cc2cc(C(=O)NN(C)C3CC3)ccc2N1S(C)(=O)=O	819642426	HHXHMWQBOCRSFX-JTQLQIEISA-N	323.418	1.136	50	20	DDGD	
O=C(CCc1ccon1)NNc1nc(-c2ccncc2)no1	816915139	QABMRXDEJWMODF-UHFFFAOYSA-N	300.278	1.196	50	20	DDGD	
CC(C)COC(=O)N1CCC(=NNC(=O)NCC2CC2)CC1	814818133	FOMVKVACZPJHAT-UHFFFAOYSA-N	310.398	1.940	50	20	DDGD	
COC(=O)c1ccc(Cl)c(C(=O)NNc2cc(C)ncn2)c1	810407670	KMTPANUKEGIEDV-UHFFFAOYSA-N	320.736	1.982	50	20	DDGD	
CCCNC(=O)NNC(=O)CCc1cccc(OC(F)F)c1	819173021	ISCBLFSMBDHHNH-UHFFFAOYSA-N	315.320	1.961	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cc(Br)c[nH]1)C(C)(F)F	814800069	YDMAHYSEQPJBHS-YFKPBYRVSA-N	324.125	1.830	50	20	DDGD	
Cn1cnc(C(=O)NNC(=O)c2c(Cl)cccc2Cl)n1	810338455	WYYKWFVOXZFBOO-UHFFFAOYSA-N	314.132	1.197	50	20	DDGD	
CO[C@](C)(C=NNC(=O)[C@H]1COc2ccccc2O1)C1CC1	814700701	BCDQMCSUERJNHC-GDBMZVCRSA-N	304.346	1.744	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O	819843611	QNRFCSPYQPSGOW-IUCAKERBSA-N	321.204	1.424	50	20	DDGD	
C[C@]1(c2ccccc2)C[C@@H]1NC(=O)NNc1ncncc1F	814305439	BGXNLUCJRQSOKF-SWLSCSKDSA-N	301.325	1.972	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@H]1CC(=O)N(C)C1	813093360	KIHRJYWCIRPCAC-LBPRGKRZSA-N	304.394	1.975	50	20	DDGD	
O=C(NN=Cc1cnc2cnccn12)Nc1ccc2c(c1)OCO2	814991917	CHXDBHOVOUSWBU-UHFFFAOYSA-N	324.300	1.614	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1csc(-c2cccs2)n1	728425589	JMOGOROYFIJXLF-UHFFFAOYSA-N	322.415	1.846	50	20	DDGD	
COc1cc(C=NNC(=O)c2cccn2C)cc(OC)c1O	725845589	AVCRRSCTMDQEMX-UHFFFAOYSA-N	303.318	1.512	50	20	DDGD	
C=CCOc1ccc(CC(=O)NNC(=O)NCC2CC2)cc1	822786885	ZDAMVBFDIIWBOA-UHFFFAOYSA-N	303.362	1.534	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNC(=O)Cc1c[nH]c2ccccc12	820630437	MXUKLAYTEACDNL-ZDUSSCGKSA-N	312.373	1.843	50	20	DDGD	
O=C(NCc1cccnc1N1CCCC1)NNc1ncccn1	820034796	VOZOQJKXYMGXAO-UHFFFAOYSA-N	313.365	1.298	50	20	DDGD	
Cc1cc([C@@H](C)NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)ccc1F	826887332	CTIWLEOFZWODCD-NTZNESFSSA-N	323.368	1.951	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)[C@@H](C)CN1CCC(C)CC1	491766323	GXMAQNQKKUVKEB-HNNXBMFYSA-N	315.421	1.334	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)Nc2c[nH]ccc2=O)cc(C#N)n1C	729365987	AVXDAQBTPHANQY-LFYBBSHMSA-N	307.313	1.439	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	820630968	SOMLKDFOJXCCNS-NEPJUHHUSA-N	321.352	1.725	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@H](O)CCc2ccccc2)cn1	491160974	MUPVIKCUMZBCBS-VHEJECIDSA-N	324.384	1.437	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C	495762347	NVFGEBALUZKITJ-VIFPVBQESA-N	317.411	1.054	50	20	DDGD	
Cc1sc(NC(=O)NNC(=O)Cc2cc[nH]n2)nc1C(C)C	824273886	YTBQNNLJFZHMRX-UHFFFAOYSA-N	322.394	1.693	50	20	DDGD	
CNC(=O)NN=Cc1csc(-c2ccc3c(c2)OCO3)n1	728429795	QGDZPYSDPNASSI-UHFFFAOYSA-N	304.331	1.802	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)o1	495501495	FEWVEPYURJCLJG-SNVBAGLBSA-N	323.349	1.358	50	20	DDGD	
CN(C[C@@](C)(O)c1ccccc1)C(=O)NNC(=O)C1CCCC1	826623892	JMARSHDTTOVUGA-QGZVFWFLSA-N	319.405	1.757	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=O)CC2CC2)cc1Cl	820757079	ADYPQUJYPAWYPH-UHFFFAOYSA-N	309.753	1.860	50	20	DDGD	
CCN(CCO)NC(=O)[C@H](C)CC(=O)c1ccc(Cl)cc1	823874283	QBZMNOPSAJGWMB-LLVKDONJSA-N	312.797	1.894	50	20	DDGD	
C[C@@H]1CCc2c(F)cccc2[C@H]1NCc1cccc(B(O)O)c1	585026657	PTZPNOHRHDSLRA-XIKOKIGWSA-N	313.181	1.919	50	20	DDGD	
CCc1ccc(CC(=O)NNC(=O)NCc2ccco2)nc1	823792715	CUUCOCYFVZAEML-UHFFFAOYSA-N	302.334	1.310	50	20	DDGD	
CC[C@H](C)C(=O)NN=C(C)c1ccc(-c2nn[nH]n2)cc1F	825051376	NWPLPPKGQSTZOD-QMMMGPOBSA-N	304.329	1.892	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1cccc2c1OCC2	901155535	OBOFNTHRVUKSLN-CYBMUJFWSA-N	317.389	1.040	50	20	DDGD	
O=C(Cc1scnc1-c1ccccc1)NNC(=O)NC1CC1	822782355	SITOMUZZKSDOHS-UHFFFAOYSA-N	316.386	1.845	50	20	DDGD	
CCN1CCc2c(cccc2NCc2ccc(B(O)O)cc2)C1	585034269	NXBZDEQLVNQNHW-UHFFFAOYSA-N	310.206	1.357	50	20	DDGD	
CC(C)[C@H]1[C@H](C(C)C)CN1C(=O)c1ccc(B(O)O)c(F)c1	584996377	GJIAJNVIKJYMDT-WFASDCNBSA-N	307.174	1.258	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C	495991849	UIDNDSRCZMADOD-VHSXEESVSA-N	315.370	1.361	50	20	DDGD	
CC[C@H]1CN(C(=O)/C(C#N)=C\c2cnn(C)c2)C[C@@H](CC)O1	491010249	LTHYPDDCVFIFCU-MGORDHMRSA-N	302.378	1.743	50	20	DDGD	
OC[C@@H](CNCc1ccc(B(O)O)cc1F)CC1CCCCC1	585037792	KCGAIJNEOPTJHJ-CQSZACIVSA-N	323.217	1.174	50	20	DDGD	
CCOCC(=O)NN=C(C)[C@@H]1CN(Cc2ccccc2)CCO1	735616124	XNCOJUZAGRBPDK-INIZCTEOSA-N	319.405	1.416	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1F	837688462	FEEKVQOOBYVBGK-AXTRIDKLSA-N	320.320	1.671	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCCC[C@H]2c2ccnn2C)cn1	491046504	HFZFMHAOFNNUAF-IDJPSDCMSA-N	324.388	1.814	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1c(C)cc(C)nc1C	836632318	KDEQGSPWIFVVCI-GFCCVEGCSA-N	324.381	1.211	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NC[C@@H]2CCCC2(F)F)c1	836275932	BVPCUNYXTRYTMB-LBPRGKRZSA-N	322.315	1.938	50	20	DDGD	
Cc1cc(NNC(=O)CCNC(=O)c2ccc(F)cc2)ncn1	734255341	XQFKBOZFXFRPAT-UHFFFAOYSA-N	317.324	1.187	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)Sc1nccn1C1CC1	734981459	DLMLZQNVTLYMFX-SNVBAGLBSA-N	310.423	1.892	50	20	DDGD	
C[C@@]1(CC(=O)NNC(=O)[C@@H]2CCCCO2)CC1(Cl)Cl	833236634	UEOAIPDFDHXXOU-GZMMTYOYSA-N	309.193	1.677	50	20	DDGD	
Cc1ccc(C[C@H](CO)NC(=O)NNC(=O)C(C)(C)C)cc1C	836292155	NGBDOLUPNFJZAB-CQSZACIVSA-N	321.421	1.583	50	20	DDGD	
COCC1(CNC(=O)NNc2ccc(OC)cn2)CCCC1	836661897	NKTFNNAWKCMQAN-UHFFFAOYSA-N	308.382	1.923	50	20	DDGD	
CCNc1nnc(S[C@@H](C)C(=O)NNC(=O)CC)s1	731905981	JNQKPOXTEQOXCC-LURJTMIESA-N	303.413	1.008	50	20	DDGD	
COc1ccc(NNC(=O)NCc2cnc(C)cc2C)nc1	836654740	BTWFZSMJVFFFSW-UHFFFAOYSA-N	301.350	1.928	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCCOCC1CCCC1	836277956	DSHCERRZMPYDPO-UHFFFAOYSA-N	320.393	1.161	50	20	DDGD	
CC[C@@H](COc1ccccc1F)NCc1ccc(B(O)O)cc1	585024128	UGDZMWMEPDHCQH-HNNXBMFYSA-N	317.169	1.453	50	20	DDGD	
CC(C)N(C)c1ccc(/C=C(/C#N)S(=O)(=O)NC2CC2)cn1	588615578	MWADSDDRAVCVOB-ZSOIEALJSA-N	320.418	1.872	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CN3CCCN2CC3)c(Cl)c1	836938018	VKYPBAWSJANHCY-AWEZNQCLSA-N	308.813	1.481	50	20	DDGD	
COCCOc1ccc(C=NNC(=O)c2cnn(C)c2)cc1	735412093	KXADABZMPXZLTI-UHFFFAOYSA-N	302.334	1.209	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccccc1Cl)[C@H]1CCCCO1	833779532	UKQQVBQXNJWZOV-VXGBXAGGSA-N	312.753	1.090	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)C1(C(=O)NC2CC2)CC1	733810881	CWROGKAZIJBVAK-UHFFFAOYSA-N	311.345	1.132	50	20	DDGD	
O=S(=O)(CCl)N1CCO[C@@H](c2ccc(F)c(F)c2)C1	830361346	JMLGGVAKVBORCU-LLVKDONJSA-N	311.737	1.864	50	20	DDGD	
Cc1cccc(C=NNC(=O)Cc2cc(O)nc(S)n2)c1C	731150587	BAGCVSZVHTUKPK-UHFFFAOYSA-N	316.386	1.781	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])C1(C(=O)C2CC2)CC1	830851137	IPNGAQBGZVLVSM-UHFFFAOYSA-N	307.281	1.936	50	20	DDGD	
COC[C@@H](OC)C(=O)NNc1ccccc1Br	830772146	ZRAVKNKKEHYHQF-SNVBAGLBSA-N	303.156	1.554	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1CCSc2ccc(F)cc21	585014795	DVIXLPIEHMCSCW-OAHLLOKOSA-N	317.194	1.832	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=Cc2ccccc2O)c1	915051994	CNCIDSTWNRJFFG-UHFFFAOYSA-N	318.354	1.560	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1c[nH]nc1-c1ccccc1Cl	910165346	GEYUZBIRSAJAGZ-SECBINFHSA-N	308.769	1.688	50	20	DDGD	
Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1cc[nH]n1	918689636	ZHSRWMPBHODERQ-UHFFFAOYSA-N	308.725	1.212	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)O)cc2)o1	830225720	VHUUUSATJWDXCP-UHFFFAOYSA-N	303.274	1.753	50	20	DDGD	
CNC(=O)NNC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1	747414564	FEDOVJNWZVQKGT-ZJUUUORDSA-N	312.167	1.513	50	20	DDGD	
COc1ccccc1OCCNC(=O)NNC(=O)C1CCCC1	915890164	XEQTYKNQKAAVNA-UHFFFAOYSA-N	321.377	1.595	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)CC(F)(F)F	918363930	FAKHOVSEWFHAEH-CPCISQLKSA-N	318.251	1.315	50	20	DDGD	
O=C(NNc1ncccn1)c1sc(N2CCCC2)nc1Cl	746867597	BJAXQCHEYYOAPR-UHFFFAOYSA-N	324.797	1.944	50	20	DDGD	
O=C(C[C@@H]1C(=O)Nc2ccccc21)NNC(=O)C1CCCC1	748618212	QLQNFXCKCQJGME-LBPRGKRZSA-N	301.346	1.450	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(C)Cc2nccs2)c1	746672149	QLSRMWYEDWQFJB-UHFFFAOYSA-N	318.402	1.345	50	20	DDGD	
C[C@H]1CCCc2ncc(C(=O)NNc3ccc(Cl)nn3)n21	846635330	RVAUFDTWXNTJNO-QMMMGPOBSA-N	306.757	1.981	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@H]1COCc2ccccc21	842187599	BKILHSBAXPAKQQ-KBPBESRZSA-N	319.361	1.157	50	20	DDGD	
C=CCN(CC=C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	916628414	NSYXZBSXFNVMNY-UHFFFAOYSA-N	318.333	1.030	50	20	DDGD	
CCc1ocnc1C(=O)NNc1ccccc1S(C)(=O)=O	740081890	HTGSFTBOGSQDDN-UHFFFAOYSA-N	309.347	1.397	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C=NNC(=O)[C@H]2CCO[C@H]2C)c1C	842559260	UIUMVLJUWVTKJQ-RYUDHWBXSA-N	321.377	1.683	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(OC)cc1Cl	748258952	RBKORRPTJVYORI-SNVBAGLBSA-N	314.769	1.850	50	20	DDGD	
C[C@H]1Cc2cc(C(=O)NNC(=O)NCC(F)(F)F)ccc2O1	847117503	VZLNDRABKKCABT-ZETCQYMHSA-N	317.267	1.516	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1ccc(O[C@H]2CCOC2)cc1	849248572	VETJMESOYSDSAS-BUYRESAOSA-N	322.386	1.610	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1ccc(OC(C)C)cc1	748136129	CKJIUHNEJTXBIL-UHFFFAOYSA-N	317.389	1.936	50	20	DDGD	
Cc1cc(F)c2c(c1)C(=NNC(=O)[C@H]1CCO[C@@H]1C)C(=O)N2	842555315	KFMOLEOIGACJIT-BDAKNGLRSA-N	305.309	1.332	50	20	DDGD	
CCc1nnsc1C(=O)NNc1ccc(CC(=O)OC)cc1	846370645	NTNYSUYQOJRTBY-UHFFFAOYSA-N	320.374	1.573	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)Cn2cnc3ccccc32)o1	749330733	STAOBETUGHECDR-UHFFFAOYSA-N	312.329	1.707	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1	747585151	HIRLBNPOLMCRKY-SOUVJXGZSA-N	316.405	1.923	50	20	DDGD	
Cc1cc2ccccc2n1CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843640029	AOALCAVJSAHUCJ-OCCSQVGLSA-N	315.373	1.522	50	20	DDGD	
CCn1nc(C)c(/C=C(/C#N)C(=O)NCCCOC(C)C)n1	840733367	PLUIHKLCXJQCNU-LCYFTJDESA-N	305.382	1.445	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc(-c2ccccn2)nc1O	746818270	SNCOVMLDZVMNIL-UHFFFAOYSA-N	300.318	1.266	50	20	DDGD	
N[C@@H]1CCC[C@@H](NC(=O)NNc2cc(F)c(F)cc2F)C1	841980864	ITRNBDKZMVLQIS-HTQZYQBOSA-N	302.300	2.000	50	20	DDGD	
CCCCNC(=O)NN=Cc1csc(N(CC)C(C)=O)n1	920750664	HJZVJDFHQBADRR-UHFFFAOYSA-N	311.411	1.949	50	20	DDGD	
CCSc1ccccc1C(=O)NNC(=O)NCCCOC	920862842	SZXCHAQXRFVTQG-UHFFFAOYSA-N	311.407	1.779	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccccc1N1C[C@H](C)O[C@H](C)C1	756044310	SMHBPCMQMGVQCC-TXEJJXNPSA-N	320.393	1.863	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cccc([C@@H]2CCCN(C)C2)c1	857254087	XPWLOSZPQSFEBB-CQSZACIVSA-N	305.378	1.839	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21	850304710	OULWIQHVHDFPQW-CIQGVGRVSA-N	310.394	1.692	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)OCC(F)(F)F)c(C2CC2)n1	856019410	UUFUJWLBQMYWNF-UHFFFAOYSA-N	306.244	1.231	50	20	DDGD	
CC(C)CCO[C@@H](C)C(=O)NNC(=O)OCC(F)(F)F	856024475	WUOSJDVZJSNDJR-QMMMGPOBSA-N	300.277	1.757	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)c1cc(Cl)ccc1O	755676822	CIAJOYMLMPNFGN-MRVPVSSYSA-N	300.742	1.479	50	20	DDGD	
CC(C)C1(C(=O)NNC(=O)Cc2ccc(Cl)cc2)COC1	929333179	MVQAGGHKUMSUAU-UHFFFAOYSA-N	310.781	1.703	50	20	DDGD	
CCCn1ccc2cc(NC(=O)NNC(=O)COC)ccc21	756399961	RWHVBRGWAPZFLR-UHFFFAOYSA-N	304.350	1.850	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CCCOCC1	853963981	DKYUJIUIVSBQCR-SECBINFHSA-N	312.301	1.929	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NNC(=O)C(C)C)c1	758148804	VCTJSYPEWLRHQS-UHFFFAOYSA-N	315.351	1.177	50	20	DDGD	
Cc1[nH]nc(C(=O)NC[C@@]2(C)C[C@H]2Br)c1[N+](=O)[O-]	857401796	MRLNRJXWSWBWDB-LHLIQPBNSA-N	317.143	1.530	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)c2ccc[nH]2)cc1	755826830	BKCLDWXAUOWHFQ-UHFFFAOYSA-N	302.290	1.268	50	20	DDGD	
CC(C)OCCONC(=O)NC[C@]1(C)C[C@H]1Br	856860928	YRRMYBZBUDDEJI-KOLCDFICSA-N	309.204	1.816	50	20	DDGD	
CC(C)Cc1nc(C(=O)NNC(=O)c2cccc(F)n2)cs1	856424469	MRLQHQSKQYPEPZ-UHFFFAOYSA-N	322.365	1.951	50	20	DDGD	
CCCCC[C@@H]1CCCN1C(=O)NNC(=O)[C@H]1CCC(=O)N1	858697109	QEJNPGBVJFTCEO-VXGBXAGGSA-N	310.398	1.051	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NN=Cc2cnc3n2CCC3)c1	853264732	PKBQENJDWHNMBP-UHFFFAOYSA-N	312.373	1.975	50	20	DDGD	
C[C@@]1(CNC(=O)NCCn2cccn2)C[C@@H]1Br	856840031	RPTXPUSLPQJWIB-ONGXEEELSA-N	301.188	1.356	50	20	DDGD	
O=C(CNC1(C2CC2)CC1)NNC(=O)c1ccccc1Cl	754358543	NAMWIVLEVIRGQR-UHFFFAOYSA-N	307.781	1.633	50	20	DDGD	
CC1(C)C[C@H](NC(=O)NNC(=O)c2cccc(F)n2)CCO1	852227617	UCKYPBRFPJVUNM-SECBINFHSA-N	310.329	1.122	50	20	DDGD	
CCC[C@H](O)C(=O)NNC(=O)c1ccc(OCC)c(OC)c1	929320512	XSNFMTPHGVOUNS-NSHDSACASA-N	310.350	1.016	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@H]2CCCN(C)C2)c1	858283164	YPXVUMLPNBWIQJ-LLVKDONJSA-N	310.423	1.342	50	20	DDGD	
CC(C)OC(=O)[C@@H](C)CNC(=O)NNc1ncc(Cl)cn1	856872340	NGOFFFJJXQZKEM-QMMMGPOBSA-N	315.761	1.344	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CCSC2)c1C	853800677	WVCRWCCPQHGREX-JTQLQIEISA-N	309.391	1.913	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1nc[nH]c1C(F)(F)F)C1CC1	855094860	GGUGUASBTKXPGZ-YFKPBYRVSA-N	321.328	1.336	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1ccccc1F)[C@@H]1CCCO1	756106546	PKSOZIXGMVNZGJ-STQMWFEESA-N	309.341	1.727	50	20	DDGD	
CSCC1(CCNC(=O)NNC(=O)Cc2cccnc2)CC1	852059205	XQRBFSNKIGJYBM-UHFFFAOYSA-N	322.434	1.488	50	20	DDGD	
C#CCOc1cccc(NC(=O)NNC(=O)c2c[nH]nc2C)c1	756478799	FUYYCCPLEZZLRW-UHFFFAOYSA-N	313.317	1.197	50	20	DDGD	
Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNc1ncc(Cl)cn1	857356630	RVPBTJFUMQAINP-SSDOTTSWSA-N	308.773	1.727	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2[nH]c(C)nc2C)cc1	857024392	GNKSVWYENUYFOO-UHFFFAOYSA-N	316.361	1.429	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@]1(C)CCC[C@H]1C	854285554	MWDPAZBVZYZHNG-BXUZGUMPSA-N	301.456	1.687	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NC[C@@]1(C)C[C@H]1Br	857732509	ANQYMQPJZXEUDQ-SOCHQFKDSA-N	306.204	1.113	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cnn(-c2ccccn2)c1	756705587	LIUDEAVGMGPBAW-UHFFFAOYSA-N	302.338	1.466	50	20	DDGD	
COc1ccc(C)cc1NC(=O)NNc1nccnc1OC	764597144	OKISDSSQLHDMPH-UHFFFAOYSA-N	303.322	1.951	50	20	DDGD	
O=C(NC[C@H]1COCO1)[C@@]12CC[C@@H](C[C@@H]1Br)C2	861974616	QSKGZXPOJXNYOQ-QFOLPQNPSA-N	304.184	1.429	50	20	DDGD	
Cc1ccn(C[C@H](C)C(=O)NNc2cc(Cl)nc(C)n2)n1	868906270	IVQLOWVZSIGOCN-QMMMGPOBSA-N	308.773	1.723	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)n1	862521651	VLEGPMJHEPSJRP-SECBINFHSA-N	316.283	1.386	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	864494001	QMVOHMCIKFYDPC-JTQLQIEISA-N	312.341	1.556	50	20	DDGD	
CCC[C@@H](C)N1C[C@@H](C(=O)NNc2cccc(C)n2)CC1=O	862523515	HHXNKYFHPSPELV-OLZOCXBDSA-N	304.394	1.870	50	20	DDGD	
CC(C)Oc1ccc(NCc2cccc(B(O)O)c2)cc1C#N	864039110	MZDQWXSBZSJEED-UHFFFAOYSA-N	310.162	1.637	50	20	DDGD	
Cc1noc(-c2ccccc2C(=O)NNc2ncc(F)cn2)n1	762090570	JXAZRMIFBQHJAU-UHFFFAOYSA-N	314.280	1.731	50	20	DDGD	
Cn1nc(C(F)(F)F)c(CN2CC[C@@H](B(O)O)C2)c1Cl	864233996	NYTWXRGFYBPOTD-ZCFIWIBFSA-N	311.500	1.141	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)NCC(F)F)cc1Cl	768207028	NUAQCOQZIJLTOT-UHFFFAOYSA-N	302.668	1.036	50	20	DDGD	
CCc1ccc(CCC(=O)NNC(=O)Cc2cc(C)[nH]n2)cc1	869013413	ZMCHWEMLTQLNBE-UHFFFAOYSA-N	314.389	1.603	50	20	DDGD	
CN1CCC[C@]2(CCN(S(=O)(=O)CC(C)(C)CCl)C2)C1	867307962	BBKYAIYVTDPGDP-AWEZNQCLSA-N	322.902	1.999	50	20	DDGD	
COC(=O)c1cn(C)nc1NC(=O)NCCSSC	934503047	ZPNRXSAPOUWSCC-UHFFFAOYSA-N	304.397	1.339	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)c1ccon1	762350713	QMFGUACCBROQOG-UHFFFAOYSA-N	307.331	1.237	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)c1ccc([N+](=O)[O-])c(Cl)c1	765459892	HOBAQAFSQVMCEX-UHFFFAOYSA-N	320.692	1.718	50	20	DDGD	
Cc1ccc(-c2ncco2)cc1NCc1ccccc1B(O)O	864031101	UKVLRQAUYWYMLS-UHFFFAOYSA-N	308.146	1.942	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NC(C)(C)C(=O)OC(C)(C)C)cn1	863377465	UHWGLBZZEITNCP-KPKJPENVSA-N	318.377	1.564	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COc2ccccc2O)c1F	760553387	YYSRDMBUVGNOPD-UHFFFAOYSA-N	318.304	1.680	50	20	DDGD	
CCC(CC)[C@H](C)C(=O)NNC(=O)CNC(=O)c1ccco1	761405613	FWZWOHXGGHLNHD-JTQLQIEISA-N	309.366	1.229	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(-n2cnc3ccccc32)nc1	768946675	AMBCLSSAUDJFKM-UHFFFAOYSA-N	324.344	1.337	50	20	DDGD	
COc1ccc([C@H](NC(=O)NNC(=O)CC(C)C)C2CC2)cn1	875931817	LFHMVTOBONXGLJ-OAHLLOKOSA-N	320.393	1.918	50	20	DDGD	
CCOc1cc(C)ccc1NC(=O)NNC(=O)C1CCOCC1	878330975	OPSGHTCWSVLKKH-UHFFFAOYSA-N	321.377	1.973	50	20	DDGD	
CN(C)CC(=O)NNC(=O)C1(CCOCc2ccccc2)CC1	771742002	UKURGDMRKCQKRS-UHFFFAOYSA-N	319.405	1.083	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(OC)cc(OC)c1Cl	879886653	GKBZKPHMDBULSB-UHFFFAOYSA-N	317.773	1.972	50	20	DDGD	
CC[C@H]1[C@@H](C)CCN1CC(=O)NNC(=O)c1cccc(C)c1	775782689	KVLCJGXTUXYTBT-ZFWWWQNUSA-N	303.406	1.876	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CCc1ccc(C)cc1C	771971140	NIWNYYMOQRCSCB-ZDUSSCGKSA-N	320.389	1.725	50	20	DDGD	
CCNC(=O)CC(=O)NNc1ccccc1OC(F)(F)F	779218429	ZCUTZNMLSNXGEO-UHFFFAOYSA-N	305.256	1.555	50	20	DDGD	
O=C(Cc1ccccc1CO)NNC(=O)c1cccc(Cl)c1	779725267	RZQPDGSPELFSDF-UHFFFAOYSA-N	318.760	1.836	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1cccc(C)c1Br	771897114	AYRBEKYQGAVKKX-UHFFFAOYSA-N	321.196	1.477	50	20	DDGD	
CCn1ncc(C(=O)NNc2nc(C)cc(C)n2)c1C1CC1	878038906	SMFMHOABGGYTID-UHFFFAOYSA-N	300.366	1.944	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H]1CCC=CO1	873769784	XQYVPSQKFXHYJR-LBPRGKRZSA-N	307.375	1.706	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cc2c(s1)CCC2)CC(C)(C)C	873792501	IREUBUUXQUCMGM-UHFFFAOYSA-N	323.462	1.976	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)CCc1ccccc1)[C@@H]1CCCO1	773556557	GXSHMWVALGEBBV-CABCVRRESA-N	315.373	1.130	50	20	DDGD	
Cc1nn2cccnc2c1C(=O)NNc1nccnc1C(C)C	772846822	CTOCXNWRLVZBLD-UHFFFAOYSA-N	311.349	1.708	50	20	DDGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CC[C@@H](n2cncn2)C1	776879570	TZLIDJCVLIJGBI-DVWGGOINSA-N	310.317	1.998	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@@H]1CCc2cc(O)ccc2C1	775068263	BRFMZTJMQKZXFA-GFCCVEGCSA-N	314.345	1.222	50	20	DDGD	
Cc1cccc(CN(C)C(=O)NNC(=O)c2cccnn2)c1C	883851829	ADVQVBLVBNHUMC-UHFFFAOYSA-N	313.361	1.580	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccn(-c2ccc(F)cc2)n1	770542132	BTHFLFIBOSDBAG-UHFFFAOYSA-N	305.313	1.318	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCCn2cccc2)cc1O	882049270	OJEGCYHZDIDEFS-UHFFFAOYSA-N	301.346	1.744	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)N1CC[C@@H](CF)C1	883480183	VFFLQGHWVQWJDM-LBPRGKRZSA-N	318.352	1.674	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(C)c(N2CCCC2)c1	881002959	LZMHNDZARWPFJQ-UHFFFAOYSA-N	320.393	1.784	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1coc2ccccc12	772131238	DRMGYKJIUXYRGO-SECBINFHSA-N	304.302	1.536	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)C1CCOCC1)SC	883478673	UEALISBVPSWINI-UHFFFAOYSA-N	317.455	1.665	50	20	DDGD	
CC(C)CC(=O)N1CCCC[C@H]1C(=O)NNc1cccnn1	1123782611	GMZYBUHXCBYPLN-LBPRGKRZSA-N	305.382	1.347	50	20	DDGD	
CCOC(=O)C1(CNS(=O)(=O)CC(C)(C)CCl)CC1	885426492	BXSCUJATZXWJND-UHFFFAOYSA-N	311.831	1.514	50	20	DDGD	
CC1(C)CN(C(=O)C2CC2)CCN1S(=O)(=O)CCCCl	882043818	CSLHKUPZRBNWBQ-UHFFFAOYSA-N	322.858	1.278	50	20	DDGD	
O=S(=O)(CCCCl)N1CCN(c2ncccc2F)CC1	882027574	XHSITFRRWGJGIL-UHFFFAOYSA-N	321.805	1.301	50	20	DDGD	
O=C(NC[C@H](O)CN1CCCC1=O)c1cccc(CCl)c1	1120620634	BKMUJMQBKQCUAE-ZDUSSCGKSA-N	310.781	1.139	50	20	DDGD	
O=C(NC[C@@H]1CCCCS1)NNC(=O)C1CCOCC1	883605226	PNKHWVDKFHZHRH-NSHDSACASA-N	301.412	1.029	50	20	DDGD	
CCCC[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)c1cccnn1	883316739	JGLMOIOYRCLZKN-NEPJUHHUSA-N	305.382	1.780	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)ccn1	789870495	CAMDONNWYJHWJM-NSHDSACASA-N	317.320	1.758	50	20	DDGD	
CC1(C)CCC(NS(=O)(=O)CCCCCl)(C(N)=O)CC1	780822988	GLXPJMJHIZUYGX-UHFFFAOYSA-N	324.874	1.749	50	20	DDGD	
C#CCCCCCC(=O)NNc1nc2ccccc2c(=O)n1C	780511746	XLSNFQLNWXWVKI-UHFFFAOYSA-N	312.373	1.960	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc(N(C)C)c(F)c1	880922639	MEEUTAJYFAAPEH-ONGXEEELSA-N	324.356	1.469	50	20	DDGD	
COCCCN(CCO)C(=O)[C@H](Br)C(C)(C)C	783755681	WDKPZPUJFQJYBZ-JTQLQIEISA-N	310.232	1.653	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)OCCCO)c1C	897555421	SMIACXZUXPDHJY-GDNBJRDFSA-N	306.362	1.584	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cc([C@H]2CCCN2C)[nH]n1	897550464	KQCAGACLSIXOKU-CYBMUJFWSA-N	300.366	1.637	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)c2c[nH]c3ccccc23)nc1	789875150	RGVQCWGTPYZLFB-UHFFFAOYSA-N	324.340	1.575	50	20	DDGD	
Cc1cc(O)cc(=O)n1CCC(=O)NNc1cccc(C#N)c1	783679532	NNGJKHAKFLEXOV-UHFFFAOYSA-N	312.329	1.267	50	20	DDGD	
O=C(CN1C(=O)CCc2ccccc21)NNc1ccnc(F)c1	781358356	OOAPBMUYLKLIBV-UHFFFAOYSA-N	314.320	1.643	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@@H]1CCn2cncc2C1	780731072	VONUJOYALRDJNT-LLVKDONJSA-N	314.345	1.375	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC[C@@H](CCO)C1	787453729	UYTCIMTXWXSQJW-GWQWUEFDSA-N	300.358	1.920	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)N1CCN(C)CC1)C1CCCCC1	788168816	DTRORJAYFULBSY-CYBMUJFWSA-N	310.442	1.581	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cc(-c2ccccn2)no1	781833125	GDQQQNASUVSWCS-UHFFFAOYSA-N	316.708	1.937	50	20	DDGD	
O=C(NNC(=O)c1ccc2cncn2c1)c1ccc(Cl)nc1	785865945	PRSKCSLINXGQDF-UHFFFAOYSA-N	315.720	1.458	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc(O)ccc1Cl	899996021	MGNVIIKIJPFKFF-UHFFFAOYSA-N	301.799	1.953	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C(=O)c2ccc(Cl)s2)n1	794090660	XOXGQNDJFJXWBA-UHFFFAOYSA-N	323.761	1.749	50	20	DDGD	
O=C1NCCC[C@H]1C(=O)NNc1nc(C(F)(F)F)cs1	896940526	XEKBKINKVNKTTD-RXMQYKEDSA-N	308.285	1.131	50	20	DDGD	
CO[C@@H](C(=O)NNc1cccc([N+](=O)[O-])c1)c1cnn(C)c1	798983021	HAGPBFQWGWICGD-GFCCVEGCSA-N	305.294	1.159	50	20	DDGD	
CC(=NNC(N)=O)c1c[nH]c2ccc(Br)cc2c1=O	799864853	SRNJTRGEXPTHKB-UHFFFAOYSA-N	323.150	1.683	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CCCn1cccn1	798312784	LULZTBYINOGJQY-UHFFFAOYSA-N	301.350	1.825	50	20	DDGD	
CCOc1cnc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])cn1	790593904	AVBYVSDDSQMJKD-UHFFFAOYSA-N	321.268	1.680	50	20	DDGD	
N#Cc1ccc(C[C@H](C#N)C(=O)NNC(=O)C2CCCC2)cc1	791506225	BCJCTLQCYFGHDB-OAHLLOKOSA-N	310.357	1.578	50	20	DDGD	
COc1cc2c(cc1OC)C(=NNC(=O)N1CCOCC1)CC2	794500337	YCDKGGHPANBKFF-UHFFFAOYSA-N	319.361	1.396	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1nccn2ccnc12	798311586	DKFPJDAQYPTKLG-UHFFFAOYSA-N	310.317	1.504	50	20	DDGD	
Cc1cccc(C(=O)NN=C2C(=O)Nc3c(C)ccc(F)c32)n1	794565127	QMRIALSXNBCGFX-UHFFFAOYSA-N	312.304	1.924	50	20	DDGD	
C[C@@H](C=NNC(=O)NCC(F)(F)F)NC(=O)OC(C)(C)C	799110204	QLIFTHOTWKSYSS-ZETCQYMHSA-N	312.292	1.747	50	20	DDGD	
COc1ccnc(NNC(=O)NOCc2ccccc2OC)n1	798535486	SYASOMKQTZEJRV-UHFFFAOYSA-N	319.321	1.252	50	20	DDGD	
CO[C@@H](C(=O)NNc1ncnc2ccsc12)c1cnn(C)c1	798980519	RXOHUWPNIWUIGE-SNVBAGLBSA-N	318.362	1.256	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)c2ccccc2F)c(=O)n(C)c1=O	1317757383	UZDHILVGIHQMOF-JXMROGBWSA-N	313.288	1.013	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cnnc3ccccc23)o1	1319391595	PZYBWTYSIMJWMT-UHFFFAOYSA-N	312.285	1.766	50	20	DDGD	
Cc1ccnc(O)c1C(=O)NNc1ccccc1S(C)(=O)=O	1319920618	MJJONGDNTWXZCM-UHFFFAOYSA-N	321.358	1.256	50	20	DDGD	
O=C(NNc1cccnn1)c1noc(-c2cccc(F)c2)n1	1323745352	VIRHMDHEDBGKNX-UHFFFAOYSA-N	300.253	1.423	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1ccc(-c2cnn(C)c2)cc1	1321066812	CENABGLKVGUTIJ-UHFFFAOYSA-N	308.345	1.883	50	20	DDGD	
COc1ccc(Br)cc1CN1CC[C@H](B(O)O)C1	585077532	WSLCGJGNBIMKEZ-JTQLQIEISA-N	313.988	1.506	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccccc1N1CCCC1=O	1324389138	VPNOZPGAYBDSBY-UHFFFAOYSA-N	301.346	1.375	50	20	DDGD	
O=C(CCO)NN=Cc1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1	1337486323	GFQBDEDNWMXVEG-UHFFFAOYSA-N	316.405	1.710	50	20	DDGD	
C[C@H]1C[C@@H](c2ccccc2)N(C(=O)NNC(=O)c2cn[nH]c2)C1	1331537216	QMTABNPWBDJQIL-FZMZJTMJSA-N	313.361	1.847	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C(=O)NC(C)C)cc1CC	1341742505	MRHXMXROHBQXTB-UHFFFAOYSA-N	305.378	1.097	50	20	DDGD	
C[C@H](NNC(=O)c1n[nH]cc1Br)C(F)(F)F	1348803610	HCYKQKKDGXSDNG-VKHMYHEASA-N	301.066	1.357	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1ccn(CCC(F)(F)F)n1	1346241950	QMAUJYPJPZTJSX-UHFFFAOYSA-N	315.255	1.238	50	20	DDGD	
CC[C@@H](CNS(C)(=O)=O)NC(=O)C1CCC(Cl)CC1	1347134403	CZWHUHCWEVQTMP-ILDUYXDCSA-N	310.847	1.228	50	20	DDGD	
C[C@H]1CN2CCN1C[C@H]2C(=O)NNc1ccc(Cl)c(F)c1	1528046479	NGWFPQYTYAXZBL-ZANVPECISA-N	312.776	1.311	50	20	DDGD	
Cc1oc(S(=O)(=O)NNC(=O)OC(C)(C)C)cc1C(=O)O	1600855968	LDYCLRMIPSNWOG-UHFFFAOYSA-N	320.323	1.004	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc(/C=C/C(=O)O)o1)C1CC1	1604319998	VDFSLARDRNMYMT-WVXIBAHESA-N	323.374	1.285	50	20	DDGD	
N#Cc1ccc(NCC(=O)NNc2cccc(C(=O)O)c2)cc1	1601108129	CEOHBEWIRMKSJI-UHFFFAOYSA-N	310.313	1.812	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)O)C[C@@H]23)o1	1600340997	IEDPWSNVFBMJAX-YTWAJWBKSA-N	321.333	1.031	50	20	DDGD	
CC(C)CC=NNC(=O)COc1ccccc1-c1nn[nH]n1	1603270350	OCEWDPBXSCLYML-UHFFFAOYSA-N	302.338	1.394	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)C1CN(CC(F)F)C1	1602230598	MQPSOBJWYHXARN-UHFFFAOYSA-N	317.267	1.164	50	20	DDGD	
Cc1ccc(NNC(=O)CCc2cnn(C)c2)cc1C(=O)O	1600462860	PRCLHVHDEQXDJB-UHFFFAOYSA-N	302.334	1.503	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NNc1ccc(CC(=O)O)cc1	1603020914	RSIONDTVHPZTRO-CQSZACIVSA-N	319.361	1.158	50	20	DDGD	
Cn1nccc1CCNC(=O)NNc1ccc(F)c(C(=O)O)c1	1601035888	XZWVMYKZPNSCQX-UHFFFAOYSA-N	321.312	1.126	50	20	DDGD	
CC(C)[C@@H]1C[C@H](C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)CCO1	1549321067	PRZQDTHDVKXPMG-UGUYLWEFSA-N	323.437	1.403	50	20	DDGD	
O=C(NN=Cc1ccc(Cl)cn1)[C@H]1CN2CCC[C@@H]2CO1	1550194166	RQWUXPQLEYKGHV-CHWSQXEVSA-N	308.769	1.048	50	20	DDGD	
CC(C)(C)OC(=O)CCC(=O)NNc1ncccc1C(=O)O	1573414398	SNFCYNTYRKCOEY-UHFFFAOYSA-N	309.322	1.345	50	20	DDGD	
CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccncc1	1588776382	KOQAODCGKAQYKS-UHFFFAOYSA-N	307.317	1.416	50	20	DDGD	
C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843362147	FUZHLOQYEXWRLO-MNOVXSKESA-N	318.776	1.315	50	20	DDGD	
C[C@@H](OC1CCCCC1)C(=O)NNc1ncccc1C(=O)O	1589162300	LWFJHCPQLIERGT-SNVBAGLBSA-N	307.350	1.961	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCNC1)c1c[nH]c2cccc(F)c12	1580732944	KSKBCQAKYVROCH-SECBINFHSA-N	304.325	1.068	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C1(C(=O)O)CC=CC1	1594068055	VWWCJADUEAMZPI-UHFFFAOYSA-N	307.258	1.930	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2csc(C(=O)O)n2)cc1	1597500911	CSJMFRLLHFKEEQ-UHFFFAOYSA-N	319.342	1.479	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)/C=C/c2ccc(C(=O)O)o2)c1	1594435708	KSCGDPOBLFYVRG-HWKANZROSA-N	320.326	1.822	50	20	DDGD	
COC[C@]1(C(=O)O)CCCN1C[C@H](CBr)C1CC1	1599193399	LDGCEUDFQHKAHG-AAEUAGOBSA-N	320.227	1.973	50	20	DDGD	
C[C@]1(C(=O)N2CCC3(CC2)C[C@H]3C(=O)O)C[C@H]1Br	1593745172	FIRRIYLTGJSBKD-SBMIAAHKSA-N	316.195	1.873	50	20	DDGD	
Cc1cnc(Cl)cc1C(=O)NNc1ncccc1C(=O)O	1594430121	CGPWCKSOVXDNJZ-UHFFFAOYSA-N	306.709	1.894	50	20	DDGD	
C/C=C(/C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Cl)CCO2	1783079148	YCDQIMSHFUOWQU-IEVUJSDQSA-N	318.776	1.317	50	20	DDGD	
CCn1c(NNC(=O)c2ccncc2)nc2ccccc2c1=O	11156134	JTUIUKCJUPODOP-UHFFFAOYSA-N	309.329	1.568	50	20	DDGD	
Cn1cc(Cl)cc1C(=O)NNC(=O)CCc1ccccc1O	12394562	DKNAYYPKQYHMQI-UHFFFAOYSA-N	321.764	1.778	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)CNc1ccccc1)c1ccncc1	161038502	JUPRMCJFEWUEDJ-ZDUSSCGKSA-N	312.373	1.835	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCOC(C)(C)C2)s1	162538437	WLWVSBQCXUUIFK-SNVBAGLBSA-N	311.407	1.958	50	20	DDGD	
CSc1cc(C(=O)NNC(=O)Cc2cccnc2)ccc1F	162988406	VJHBVIVOKKSHCO-UHFFFAOYSA-N	319.361	1.946	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)CCc1ccccc1O	163268880	IEOLSEKXQZXSRZ-UHFFFAOYSA-N	302.334	1.002	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cccc2ncccc12)C1CC1	152310360	KYCZCGSYRGAEJE-UHFFFAOYSA-N	312.373	1.480	50	20	DDGD	
CC(C)NC(=O)N1CCC[C@H]1C(=O)NNc1ccccc1F	153211952	UPBHPQZJLZTHTC-ZDUSSCGKSA-N	308.357	1.851	50	20	DDGD	
CS(=O)(=O)CCCC(=O)NNc1ccc(C(F)(F)F)cc1	153777109	OTQRAIHOLAAUAH-UHFFFAOYSA-N	324.324	1.973	50	20	DDGD	
N#Cc1ccc(NNC(=O)Cn2c(=O)oc3ccccc32)cc1	155335905	TYSWCDJXQASIJH-UHFFFAOYSA-N	308.297	1.609	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1cccc(C(F)(F)F)n1	155812863	BXMSPEZNZOJFBM-SECBINFHSA-N	321.299	1.985	50	20	DDGD	
O=C(NNc1ccncc1Cl)[C@H]1CCCN(C(=O)C2CC2)C1	154750713	LZDNLUNHONEZTB-NSHDSACASA-N	322.796	1.827	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O	159514312	UFSIIRGCSYLBKY-BSYHEUMXSA-N	317.320	1.491	50	20	DDGD	
C[C@H]1CC(NC(=O)NNC(=O)Cc2cccnc2)C[C@H](C)C1	172384109	SMDMAUJQKCKEQV-VXGBXAGGSA-N	304.394	1.779	50	20	DDGD	
CCc1cnc(CNC(=O)NNc2nc(C)cc(OC)n2)s1	175599765	YSUGYYJKKNBDKQ-UHFFFAOYSA-N	322.394	1.639	50	20	DDGD	
CCN(C)[C@H](C(=O)NNC(=O)[C@@H]1CCCO1)c1ccccc1	103189385	YDZNOQDLYWUHIG-KBPBESRZSA-N	305.378	1.006	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1	28715394	MHFOTAZGWXWUMH-UHFFFAOYSA-N	302.290	1.560	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F	112855239	VPKIKWBDNDKUDZ-VXGBXAGGSA-N	319.311	1.868	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)C1CC1)c1ccc(Cl)cc1	112976391	LEPDJMNSVVTJKR-ZDUSSCGKSA-N	309.797	1.938	50	20	DDGD	
O=C(NCc1cccnc1)NNC(=O)c1cccc2ncccc12	106511759	ZZCYWMDWXZTFPQ-UHFFFAOYSA-N	321.340	1.774	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1coc(-c2ccccc2)n1	175807497	QZHLXZPRGOQDCY-UHFFFAOYSA-N	322.324	1.740	50	20	DDGD	
NC(=O)N1CCC(=NNC(=O)CCOc2ccccc2)CC1	60810843	GADIMBJRYIODOR-UHFFFAOYSA-N	304.350	1.102	50	20	DDGD	
O=C(CSc1nc2ccccc2o1)NNC(=O)NCC1CC1	65193590	OPXLWPWLGVZBAG-UHFFFAOYSA-N	320.374	1.660	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(C(C)(C)C)n[nH]2)nc1	179797768	MKDLGBGOZWHZMT-UHFFFAOYSA-N	317.349	1.646	50	20	DDGD	
COc1ccccc1CCC(=O)NNC(=O)c1c[nH]nc1C	110758981	UKCZEPSRXRIXSZ-UHFFFAOYSA-N	302.334	1.121	50	20	DDGD	
CN(C)C(=O)c1ccc(NC(=O)NNC(=O)C(C)(C)C)cc1	179689582	UTJXWUSIFROOOI-UHFFFAOYSA-N	306.366	1.587	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1cccc2c1OCCCO2	178985834	QGPCKMVGEYBULY-ACCUITESSA-N	302.330	1.908	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC[C@H](Cc2ccccc2)C1	124121892	XAFKJOXWWNDIKW-UKRRQHHQSA-N	303.406	1.497	50	20	DDGD	
Cc1cccc(O[C@H](C)CNC(=O)NNc2cccnn2)c1	173872713	UEXNSFBYYYVFPG-GFCCVEGCSA-N	301.350	1.879	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3cccn3C)[nH]n2)cc1	120685753	RCOGERRTMOXUKS-UHFFFAOYSA-N	323.356	1.798	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H](C)Cc2cccc(F)c2)n1	68855513	DFJLLGOAYDBHCR-JTQLQIEISA-N	304.325	1.946	50	20	DDGD	
CCOc1cnc(C(=O)NNc2ccccc2[N+](=O)[O-])cn1	188925804	FBTKOJFNUUBXLR-UHFFFAOYSA-N	303.278	1.540	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Cc2ccc(C)nc2)cc1	121841310	FAXCTZHBIHXOAI-UHFFFAOYSA-N	313.357	1.467	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)Nc1ccncc1	120985349	QURKBQBQCQVKAL-UHFFFAOYSA-N	300.318	1.451	50	20	DDGD	
Cc1cn2c(=O)c(C(=O)NNc3ccncc3)cnc2s1	180458617	HYBLUSPFGFXFTF-UHFFFAOYSA-N	301.331	1.216	50	20	DDGD	
NC(=O)Cc1ccc(NS(=O)(=O)CCCCCl)cc1	184764089	UFSKOPDZWLEVOD-UHFFFAOYSA-N	304.799	1.475	50	20	DDGD	
O=C(COC[C@H]1CCCO1)NNc1ncnc2ccsc12	132614047	PJJRBEVHDWGXNX-SECBINFHSA-N	308.363	1.330	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cn(C)c3ccccc23)no1	73117861	FTQJHSRTZAMGHS-UHFFFAOYSA-N	313.317	1.941	50	20	DDGD	
O=C(CC[C@H]1CCCO1)NNC(=O)c1ccc2ccccc2n1	46304834	QPHHADXKOVLBKR-CYBMUJFWSA-N	313.357	1.955	50	20	DDGD	
Cc1ccccc1NNC(=O)c1c(C)oc2ncn(C)c(=O)c12	195518471	IXVYIPYEAXQHQW-UHFFFAOYSA-N	312.329	1.900	50	20	DDGD	
CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NNc1cnccn1	133290320	FDUFAKBCUDAHAN-LLVKDONJSA-N	305.382	1.347	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1ccccc1F)C1CCOCC1	134924366	WJTFSCRZKODXJE-NSHDSACASA-N	323.368	1.514	50	20	DDGD	
Cc1cc(C)nc(NC(=O)C(=O)NNc2ccccc2F)c1	193834502	QQDFVENWWHLGGW-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2cc(F)c(F)cc2F)n1	194171817	BNTUMCLMYJGHCH-UHFFFAOYSA-N	324.262	1.889	50	20	DDGD	
CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NNc1ccnc(F)c1	194470058	HBYLWSOWQXEVHD-VIFPVBQESA-N	322.262	1.367	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CC2(O)CCCCC2)c(O)c1	89486216	DQAXZVBNBRAQFQ-UHFFFAOYSA-N	306.362	1.547	50	20	DDGD	
O=C(NNc1ncccn1)c1ccc(Br)c(O)c1	133033169	NTVALSNTUQHQDO-UHFFFAOYSA-N	309.123	1.702	50	20	DDGD	
CN(C)N(C(=O)C[C@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCS(=O)(=O)C1	249309247	HTJWICMBXRXVJF-IGQOVBAYSA-N	314.451	1.305	50	20	DDGD	
COCCCOc1cccc(/C=C(/C#N)C(=O)NCCOC)c1	255494902	ZBRCGFLJAABYAM-PTNGSMBKSA-N	318.373	1.771	50	20	DDGD	
CC(=O)NC1CCC(NC(=O)NN(C)c2ccccc2)CC1	263763906	ZNOVKGFMYOFDCK-UHFFFAOYSA-N	304.394	1.784	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)O1	268365829	VCPPOMXQTSQZHX-ZIAGYGMSSA-N	305.378	1.471	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)COCc1ccccc1)N(CC)CC	265601008	IGHXQYYQOBMXOY-HNNXBMFYSA-N	321.421	1.471	50	20	DDGD	
COc1cccc(O[C@@H](C)CNC(=O)NNC(=O)CC(C)C)c1	266537608	JVKCYEHJJDOZTE-LBPRGKRZSA-N	323.393	1.839	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CC[C@H]2CC[C@@H](C)O2)c1O	266635430	XNBYLKBJJCOMCM-GHMZBOCLSA-N	322.361	1.510	50	20	DDGD	
CN(C(=O)[C@@H](Br)C(C)(C)C)[C@H]1CCCCNC1=O	364150684	ONVFNHAFRKODAM-VHSXEESVSA-N	319.243	1.923	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)[C@H]1CCCCS1(=O)=O	274777488	NHGOJBYTPBHJAE-GFCCVEGCSA-N	320.374	1.040	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)CCc2ccccc2O)CCO1	272119214	SQQIZRNXPRTVMA-YPMHNXCESA-N	306.362	1.287	50	20	DDGD	
C=C(C)[C@H](CC(=O)NNc1nc(-c2cccnc2)no1)OCC	270057958	OBNLKTZQXAWCIX-LBPRGKRZSA-N	317.349	1.946	50	20	DDGD	
CCCc1nnc(NC(=O)NNC(=O)c2ccccn2)s1	273452585	UHIRRDRAMRZTLO-UHFFFAOYSA-N	306.351	1.352	50	20	DDGD	
COc1ccc(COCCCC(=O)NNC(=O)C2CC2)cc1	270496239	SMKUXJAUBJZIKX-UHFFFAOYSA-N	306.362	1.549	50	20	DDGD	
COCCOc1cc(OC)ccc1C(=O)NNC(=O)C(C)(C)C	276582653	YDTFBFUPHYRECV-UHFFFAOYSA-N	324.377	1.528	50	20	DDGD	
Cc1nnccc1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	270003366	ZJAPHGZVCCNSBY-UHFFFAOYSA-N	314.389	1.762	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)CCCOC(C)C)n1	279725843	VECIQRMWCBCHOD-UHFFFAOYSA-N	308.382	1.491	50	20	DDGD	
CCC(C)(C)CNC(=O)NNC(=O)COc1ccccc1O	277468301	MGJPLYHWOCEGKD-UHFFFAOYSA-N	309.366	1.538	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1cc(F)ccc1C	272371057	RYEBIHSJGLGHDX-SNVBAGLBSA-N	313.329	1.338	50	20	DDGD	
N#CC1=CCN(C(=O)[C@H]2CCCN(CC(F)(F)F)C2)CC1	272713965	YKGTYGMLFMOGEM-LBPRGKRZSA-N	301.312	1.943	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C1(c2ccccc2)CCOCC1	272998027	OAMWHXYNXLRZIS-UHFFFAOYSA-N	305.378	1.427	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)CC1	274795796	OYXVJUREMFPTHJ-UHFFFAOYSA-N	320.296	1.290	50	20	DDGD	
O=C(CN1CCSC1=O)NNc1nccnc1C1CCC1	287281238	TVPXYTQCCFHTCG-UHFFFAOYSA-N	307.379	1.356	50	20	DDGD	
CCOc1c(Cl)cc(C(=O)NN(C)CCOC)cc1OC	288636664	XASAGSMOZLBYEJ-UHFFFAOYSA-N	316.785	1.970	50	20	DDGD	
CSSCCNC(=O)C1=C(C)N(C)c2ncnn2[C@H]1C	285753380	QNMXCCHPIQCKMD-VIFPVBQESA-N	313.452	1.690	50	20	DDGD	
CSCC(C)(C)C(=O)NNC(=O)[C@H]1COc2ccccc2O1	282425504	FBMAYAAUMQUOPV-GFCCVEGCSA-N	324.402	1.363	50	20	DDGD	
CO[C@@H](C)CN(C)C(=O)NNC(=O)C(C)(C)c1ccccc1	287454052	REIZNEWCIHEWAP-LBPRGKRZSA-N	307.394	1.672	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@H]2CCC(=O)[C@@H]2C)c1	281172494	LGILVXQQRVPBCO-GHMZBOCLSA-N	304.346	1.922	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@H]2CCC(F)(F)C2)n1	280711901	MKUJVGHTZVSGLS-VIFPVBQESA-N	315.324	1.855	50	20	DDGD	
CC1(C)CCC[C@@H]1C(=O)NNc1ccc(-n2ccnc2)nn1	286558933	IBZBGQRRJBIOGE-LLVKDONJSA-N	300.366	1.932	50	20	DDGD	
COC(=O)N(C)NC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1	286380910	OCOCWDOHPSXPJF-CQSZACIVSA-N	321.377	1.007	50	20	DDGD	
COCC1(CNC(=O)NNC(=O)Cc2ccccc2F)CCC1	283407838	FWNQUIVXEUHRNM-UHFFFAOYSA-N	323.368	1.515	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2cncnc2C)c1	298658851	QMSHJFYCQPNBGH-UHFFFAOYSA-N	314.345	1.242	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N2CCN(C)CC2)c(Cl)c1	807380243	DQEQBCBBAGTADX-UHFFFAOYSA-N	310.785	1.250	50	20	DDGD	
COc1ccc(-c2ocnc2C(=O)NNc2ncccn2)cc1	809597763	XJSVUXXGBKQODO-UHFFFAOYSA-N	311.301	1.897	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@H]1CCN(Cc2ccccc2)C1=O	299350179	AJNJCUBIERPVRQ-GOFCXVBSSA-N	313.357	1.348	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCNC(=O)C(C)(C)C)cc1	297701258	POFRKMLWKSVMPZ-UHFFFAOYSA-N	322.409	1.874	50	20	DDGD	
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)[C@@H]1CCCO1	292116440	JRMRMGGSRKYQEH-XPSMFNQNSA-N	319.317	1.325	50	20	DDGD	
CC[C@H]1CCC[C@@H]1C(=O)NNc1nccc(N2CCOCC2)n1	294839044	FCHGWMVICQZRDC-STQMWFEESA-N	319.409	1.583	50	20	DDGD	
CC(F)(F)CCNC(=O)NNc1ccc(-n2cccn2)nn1	297554431	JZGRHERGXOUWJO-UHFFFAOYSA-N	311.296	1.334	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)CNc2ccccc2C(N)=O)c1	809719385	YRXBNAXNVQFBQT-UHFFFAOYSA-N	316.336	1.788	50	20	DDGD	
C[C@H]1CC[C@H](CNC(=O)NNc2ccc(-n3ccnc3)nn2)C1	805416941	CKJIECZMUMITSH-RYUDHWBXSA-N	315.381	1.725	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cc(C)c2nccn2c1	293629911	GJKKCGNRXLEKLI-UHFFFAOYSA-N	324.431	1.709	50	20	DDGD	
O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCC(Cl)Cl	294288190	HAHDSNNDVCGYJV-HTQZYQBOSA-N	307.177	1.082	50	20	DDGD	
COCc1ncc(C(=O)NNC(=O)c2ccc(C)cc2O)s1	803168569	WEHDZYNDRPETCF-UHFFFAOYSA-N	321.358	1.378	50	20	DDGD	
CS(=O)(=O)CC1CCC(=NNC(=O)c2cccnc2)CC1	814687083	NYLFZPIWDHFNRM-UHFFFAOYSA-N	309.391	1.402	50	20	DDGD	
Cc1cc(CN)cc(NC(=O)NNC(=O)CC(F)(F)F)c1	818633326	FHHBGFNQSKIDFE-UHFFFAOYSA-N	304.272	1.559	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCN(Cc2ccccc2)C1)c1ccccn1	816808282	JEWNLOOIMPMWJB-HNNXBMFYSA-N	324.384	1.365	50	20	DDGD	
Cc1cc(NNC(=O)Cc2nn(C)c3ccccc23)nc(C)n1	817729088	WHYQJPWFHNUMAM-UHFFFAOYSA-N	310.361	1.666	50	20	DDGD	
CN(C)C[C@@H](CO)NC(=O)CCCC[C@H]1CCSS1	816617922	LLDXUPDJYWCQBH-RYUDHWBXSA-N	306.497	1.739	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1ccc2nc(O)[nH]c2c1	812457947	XQFMVGHPZWNXMS-UHFFFAOYSA-N	312.333	1.383	50	20	DDGD	
Cc1ccc(NNC(=O)c2c(Br)nnn2C)cc1	810043745	DLYSHNJBRDKIMJ-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
Cc1csc(CC(=O)NN=Cc2c(C)nn(C)c2Cl)n1	812491381	UAABIQSDSVTGJM-UHFFFAOYSA-N	311.798	1.840	50	20	DDGD	
COC(=O)[C@@H]1C[C@H]2CC(=NNC(=O)c3ccc(N)cc3)[C@H]1C2	817321803	ATJNABZROMCCAE-TVYUQYBPSA-N	301.346	1.574	50	20	DDGD	
Cn1cc(/C=C/C(=O)NNc2nc(-c3ccncc3)no2)cn1	726370726	JYKORAVMZGBBHL-NSCUHMNNSA-N	311.305	1.022	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@H]2CC2(F)F)cc1F	822649395	ZLBCADRLPSFXJT-SSDOTTSWSA-N	319.308	1.807	50	20	DDGD	
O=C(NN=Cc1cc(-c2nn[nH]n2)cs1)NC1CCCC1	823273515	QDWOKNNQRRQSOL-UHFFFAOYSA-N	305.367	1.504	50	20	DDGD	
OB(O)c1cccc(-c2noc(COCC3CCCC3)n2)c1	585052479	NOQPPKTZHBNVJY-UHFFFAOYSA-N	302.139	1.123	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H](c1cccs1)C1CC1	825660398	PCJPSPIRRAIHDM-GAFUQQFSSA-N	323.418	1.955	50	20	DDGD	
Cc1cc(C)n2nc(NC(=O)NNc3cccc(C#N)c3)nc2n1	725852905	HNPOWRRPCOWOEV-UHFFFAOYSA-N	322.332	1.761	50	20	DDGD	
CC(C)(C)OC(=O)NCCCC(=O)NN=Cc1ccncc1	494023717	MIIKHXZKCUQSBZ-UHFFFAOYSA-N	306.366	1.837	50	20	DDGD	
COc1ccc2c(N3CC[C@H](B(O)O)C3)c([N+](=O)[O-])cnc2c1	585078363	CPWOOXAYGVOQOC-VIFPVBQESA-N	317.110	1.205	50	20	DDGD	
COc1ccc(Br)c(C(=O)NN(C)C[C@@H](C)O)c1	824623808	PFLOWDHLUTUGED-MRVPVSSYSA-N	317.183	1.415	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@@H]2CO[C@H](C)C2)cc1	827617112	CFVQOZDPNSMOCH-KOLCDFICSA-N	308.338	1.208	50	20	DDGD	
COc1cc(CO)ccc1C(=O)NNc1nc(C)cc(C)n1	900076858	SFWUIGLCIXVQCF-UHFFFAOYSA-N	302.334	1.351	50	20	DDGD	
COC(=O)N(C)NC(=O)c1nnn(-c2cccc(Cl)c2)c1C	495826946	ZKMRDTUAZNHNSL-UHFFFAOYSA-N	323.740	1.572	50	20	DDGD	
CCS[C@@H]1CCCC[C@H]1NC(=O)c1ccc(B(O)O)cc1	584961637	YHJNHVLHIUGHIN-ZIAGYGMSSA-N	307.224	1.161	50	20	DDGD	
Cc1cc(N2CC[C@@H](B(O)O)C2)c2cccc([N+](=O)[O-])c2n1	585079365	ZCLNXQMQCMFNTN-SNVBAGLBSA-N	301.111	1.505	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1CCCc2occc21	825619535	QFPYNOIKWXWPGA-NHCYSSNCSA-N	307.350	1.412	50	20	DDGD	
CCOc1ncc(C(=O)NNc2nnc(C)c(O)n2)cc1Cl	732828504	LTZJFFVFBVMNFO-UHFFFAOYSA-N	324.728	1.090	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)N2CC[C@@H](B(O)O)C2)c1C(C)C	585065269	WPAWOCXRJMWVPV-LLVKDONJSA-N	306.171	1.338	50	20	DDGD	
CCc1noc(C)c1C(=O)NNc1nc(-c2cccnc2)no1	732110595	GHENGHWBNCBYGX-UHFFFAOYSA-N	314.305	1.747	50	20	DDGD	
COC(=O)NNS(=O)(=O)c1c(Cl)ccc(C)c1Cl	490712307	BAHFIXYTOYBXSR-UHFFFAOYSA-N	313.162	1.851	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@H](Br)C(C)(C)C)C[C@H](C(=O)O)O1	909894432	CTHLBFFQTMOUOC-HLTSFMKQSA-N	322.199	1.497	50	20	DDGD	
O=C(c1ccc(Oc2cccnc2)cc1)N1CC[C@H](B(O)O)C1	585069047	HTHHYXMEHWLBBO-ZDUSSCGKSA-N	312.134	1.563	50	20	DDGD	
Cc1ccc2nc(/C=C(\C#N)C(=O)Nc3ccn(C)n3)cn2c1	490940164	IAFRWGDACGMIMT-KPKJPENVSA-N	306.329	1.922	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cn1	491162562	SFKLGGSQFFRJEL-OOHOIJMXSA-N	314.389	1.743	50	20	DDGD	
O=S(=O)(CCl)NCCNc1nccc(C(F)(F)F)n1	830589905	UHNRBPXYMGWTJD-UHFFFAOYSA-N	318.708	1.023	50	20	DDGD	
C=CC(C)(C)CNC(=O)NNC(=O)COCc1ccccc1	836317735	KTYXGMDBFYIKLH-UHFFFAOYSA-N	305.378	1.746	50	20	DDGD	
C#C[C@H](CC)NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	491659129	IJLGFNXDAODIIL-DLUQRMLASA-N	303.406	1.945	50	20	DDGD	
C[C@@H](NCc1ccccc1B(O)O)c1ccc2c(c1)CCC(=O)N2	585040809	QEHTXTZAHNOUQO-GFCCVEGCSA-N	324.189	1.102	50	20	DDGD	
CC1(C)CN(CC(=O)NNC(=O)c2cccs2)CCCO1	735311960	ZGOKBSQQTBSRCH-UHFFFAOYSA-N	311.407	1.010	50	20	DDGD	
CC[C@H](C)n1nc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1C	831616591	FNEWCULAFVRJNM-MVWJERBFSA-N	323.397	1.740	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H]2CCNC2=O)cc1C(F)(F)F	830806808	WGWSYYHLLQFEQY-VIFPVBQESA-N	312.251	1.156	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@@H]1C	834937205	JPKILMJXMUMNNM-UHTWSYAYSA-N	300.424	1.740	50	20	DDGD	
COCCN(C)NC(=O)CCCOc1ccc2c(c1)CCC2	837625428	BDSWIYBUXYEWNZ-UHFFFAOYSA-N	306.406	1.944	50	20	DDGD	
CCN1CCCC[C@H]1CNC(=O)NNC(=O)CC(F)(F)F	732470992	IRFKOPLOQKDOEQ-VIFPVBQESA-N	310.320	1.144	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)N[C@H]1C[C@H]2CCCCN2C1=O	836692129	OXUIDHITGPHLGT-ZJUUUORDSA-N	323.784	1.515	50	20	DDGD	
C[C@@H](N(C)CC(=O)NNC(=O)c1ccc(C#N)cc1)C(C)(C)C	839461716	CRSQSYYJONZEBF-GFCCVEGCSA-N	316.405	1.686	50	20	DDGD	
NCCCCCCNC(=O)NNc1ccc2c(=O)[nH]ccc2c1	831286530	DVBRGEGTGMZIRM-UHFFFAOYSA-N	317.393	1.673	50	20	DDGD	
COC(=O)c1cccc2c1OCCN2S(=O)(=O)CCl	830950601	IAXPEZVZGKHKOM-UHFFFAOYSA-N	305.739	1.198	50	20	DDGD	
CC[C@](C)(CNC(=O)NNC(=O)Cc1ccccc1F)OC	836580191	UBKZQLQNQUWQDH-OAHLLOKOSA-N	311.357	1.514	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(OCC(=O)O)cc2)ncn1	738462781	XUPQRRLDJUSXRD-UHFFFAOYSA-N	302.290	1.005	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNc1ccc(C(=O)OC)cc1F	837207775	ZZKBUGINEGBDBC-UWVGGRQHSA-N	312.341	1.974	50	20	DDGD	
CCOc1cc(C)ccc1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	831318405	SHRNDIJPGJUSMF-NWDGAFQWSA-N	321.377	1.971	50	20	DDGD	
CC[C@@](C)(CNC(=O)NNc1ccc2c(=O)[nH]ccc2c1)OC	838660913	HMNMDKVTLCVEDS-INIZCTEOSA-N	318.377	1.969	50	20	DDGD	
C[C@H]1CC[C@H](CNC(=O)NNC(=O)COCc2ccccc2)O1	838744403	JVPIASNLADTHLU-GXTWGEPZSA-N	321.377	1.101	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCC[C@@H]2Oc2ccccc2)cc1	585023434	LBDVRJFIGMUSFW-ROUUACIJSA-N	311.190	1.456	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2OC)C1	838748286	FPFOFHKXBXUIHF-PHIMTYICSA-N	307.350	1.207	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCCC[C@@H]1CCOC1	836646467	UGUCOXPQIUMUJG-CYBMUJFWSA-N	323.368	1.515	50	20	DDGD	
N#C/C=C(\c1ccc(F)cc1)N1CC[C@@H]2OCC(=O)N[C@H]2C1	839070424	VAHRUTDCJUQDLJ-MVSAHEPXSA-N	301.321	1.279	50	20	DDGD	
CC[C@@H](CNC(=O)NNc1ccc(C(=O)OC)c(F)c1)OC	838596388	FCIJMHSUDCEBCT-JTQLQIEISA-N	313.329	1.663	50	20	DDGD	
Cc1nc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])cs1	916322285	WHVTVJLFSJSOMR-UHFFFAOYSA-N	320.330	1.889	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNc1ncnc2[nH]cnc12	743469243	QBCGGYUIINIFBE-QMMMGPOBSA-N	316.296	1.403	50	20	DDGD	
CO[C@H](C=NNC(=O)c1c(C)nc2ccccn12)[C@@H]1CCOC1	841606409	DTXLTVYSVXLFHC-CHWSQXEVSA-N	316.361	1.410	50	20	DDGD	
C[C@H](CBr)CN1CCC(n2cnnc2O)CC1	846886527	XVSDUWJRIOKDEW-SECBINFHSA-N	303.204	1.652	50	20	DDGD	
C#CCOc1ccc(C(C)=NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	842552081	HBZWSPJYEHIRFN-CZUORRHYSA-N	300.358	1.964	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1	910154762	GHZWOEXSLHRVCF-PELKAZGASA-N	321.204	1.761	50	20	DDGD	
CC1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)CC1	744384126	IXWZKDDTJJCSAX-UHFFFAOYSA-N	300.362	1.051	50	20	DDGD	
COc1cc(C(=O)NN(C)C[C@@H](C)O)ccc1C(F)(F)F	910141600	VFXVJSBRWMFPAH-MRVPVSSYSA-N	306.284	1.671	50	20	DDGD	
COc1c(F)ccc(F)c1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843651656	FBHIFHSSFPFTKE-YUMQZZPRSA-N	314.288	1.159	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=Cc1cccc2c1OCO2	915947926	BXAPHUIOIYJMKZ-UHFFFAOYSA-N	323.308	1.816	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@H](Cc1ccccc1)N(C)C	915901749	ZTNJQRXJNNFRLT-HNNXBMFYSA-N	320.437	1.536	50	20	DDGD	
NC[C@H]1CN(C(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)CCO1	846677053	JWZTWDDYXZCZEA-MEWQQHAOSA-N	317.227	1.126	50	20	DDGD	
C[C@H](CCN(C)C)NC(=O)NNC(=O)c1cc2c(s1)CCC2	744866649	VRQIAEWVRGFXPZ-SNVBAGLBSA-N	324.450	1.521	50	20	DDGD	
O=C(O)COc1cccc(C=NNC(=O)Cc2ccncc2)c1	747640684	GAALMQCOXMZIPI-UHFFFAOYSA-N	313.313	1.238	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)[C@@H]1CCO[C@@H]1C)O[C@@H](C)C2	842552578	BCYBMWUHYUNRBH-MISXGVKJSA-N	318.373	1.894	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc2cc(F)ccc2o1	843650508	DEBPEZRVVZQOET-LDYMZIIASA-N	306.293	1.758	50	20	DDGD	
Cc1noc(C)c1C=NNC(=O)[C@@H]1COc2ccccc2O1	916292199	REVLGPRPIPIAOT-AWEZNQCLSA-N	301.302	1.582	50	20	DDGD	
COCCn1cc(C=NNC(=O)c2ccc(O)c(Cl)c2)cn1	743440750	XHXWAMMDWJBBCG-UHFFFAOYSA-N	322.752	1.652	50	20	DDGD	
COc1nccnc1NNC(=O)CCOc1cccc(C)c1	840570653	ALFVPGXFZAHDFS-UHFFFAOYSA-N	302.334	1.706	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CC(F)(F)F)c1[N+](=O)[O-]	918365339	QTNQQUMWQIKVQO-UHFFFAOYSA-N	305.212	1.617	50	20	DDGD	
C[C@H]1CC(=NNC(=O)[C@@H](C)Oc2ccc(F)cc2)c2ncnn21	841611426	RHZNNOBMRILTEI-VHSXEESVSA-N	317.324	1.670	50	20	DDGD	
N#CC1(CNC(=O)NNC(=O)c2c[nH]c3ccccc23)CCC1	842196199	HJTHBSKNYIPFEZ-UHFFFAOYSA-N	311.345	1.806	50	20	DDGD	
Cc1cc(C(=O)NN(C)C[C@H](C)O)nn1-c1ccc(Cl)cc1	910152191	MHUIXBAWVLTFLS-NSHDSACASA-N	322.796	1.792	50	20	DDGD	
CCCNCCNC(=O)NNc1ccc2c(=O)[nH]ccc2c1	841960876	IEQLSIYVEMFVTO-UHFFFAOYSA-N	303.366	1.154	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCc1cc(Br)cs1	910167099	HRYZULKDFQNKKJ-QMMMGPOBSA-N	321.240	1.787	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@@H]1CCc2nccn2C1	846642765	GNQFWAHYJASWKE-SNVBAGLBSA-N	304.325	1.737	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cccc(Oc2ccccn2)c1	910184769	VPQNJINCXLYYMH-LBPRGKRZSA-N	301.346	1.831	50	20	DDGD	
CSC(C)(C)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1	849986838	KHQWDJMQEDREOI-UHFFFAOYSA-N	324.402	1.441	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)Cc2cccc3ccccc23)C1	843759504	PXLKISZRYRBYCM-AWEZNQCLSA-N	310.353	1.899	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCC=C(c2ccccn2)C1	846922096	FCIFJYMMZOHOCX-GFCCVEGCSA-N	302.378	1.117	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNc2nc3ccccc3n2C)CC1=O	848381741	SXEVCRGJKHPFKV-NSHDSACASA-N	315.377	1.275	50	20	DDGD	
CCCC[C@H](CC)CNC(=S)NNC(=O)c1ncccn1	841482502	WJPGBICIYKRJLT-NSHDSACASA-N	309.439	1.802	50	20	DDGD	
CC[C@H](N)CNC(=O)NNC(=O)Cc1cccc2ccccc12	842007012	NSLVWYDTTGEZGB-AWEZNQCLSA-N	314.389	1.450	50	20	DDGD	
CC(=O)N[C@H](CC1CCC1)C(=O)NNc1cccnc1Cl	840477161	RTZIRSFTNUASPO-GFCCVEGCSA-N	310.785	1.873	50	20	DDGD	
C=C[C@@H](C)ONC(=O)NNC(=O)c1ccc(OCC)c(OC)c1	845640416	WWQUGYSZRAAKLM-SNVBAGLBSA-N	323.349	1.544	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2nc(C)cc(OC)n2)CCCC1	843813322	JRJSZLBFQBJCBP-UHFFFAOYSA-N	322.365	1.360	50	20	DDGD	
CCCOc1ccc(C(C)=NNC(=O)C(=O)NC(C)C)cc1	744818484	YHQANKOJTDZLPQ-UHFFFAOYSA-N	305.378	1.840	50	20	DDGD	
CC(C)C[C@@H]1CCCN(C(=O)NNC(=O)c2ncccn2)C1	841592695	VZMGEGPJJKPYDJ-LBPRGKRZSA-N	305.382	1.589	50	20	DDGD	
CO[C@H](CC(C)C)C(=O)NNC(=O)[C@H]1COc2ccccc2O1	841003882	GXMURQTUFAKOEY-ZIAGYGMSSA-N	322.361	1.035	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNc2ncc(Br)cn2)CO1	848322233	UUZOYWWOCSDLRI-RNFRBKRXSA-N	301.144	1.107	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C2CC(F)(F)C2)cn1	754203671	HHXXSLCRPZAIRH-UHFFFAOYSA-N	316.333	1.453	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc2nn(C(C)C)cc2c1	756786898	MGPZTYZZQZVWCK-UHFFFAOYSA-N	319.365	1.806	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@]1(c2ccccc2)CCCO1	929428350	DBWSJOYKHZFKEF-MRXNPFEDSA-N	321.446	1.986	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(C)nn1C1CCN(C)CC1	756921275	UHNPNKNLYNXOOG-UHFFFAOYSA-N	308.386	1.021	50	20	DDGD	
CCOCCNC(=S)NNC(=O)c1cn(C)c2ccccc12	750981565	OXDJLUDLIKPHOJ-UHFFFAOYSA-N	320.418	1.324	50	20	DDGD	
Cc1nccc(CCC(=O)NNC(=S)N[C@@H](C)C2CC2)n1	855097605	UNWCUNWOYYWPTI-VIFPVBQESA-N	307.423	1.011	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1CCCc2cccnc21	927380014	YFVNDBHWRWMEBN-CYZMBNFOSA-N	318.377	1.214	50	20	DDGD	
CCCCS(=O)(=O)NCC(=O)NNc1cc(F)ccc1C	855369464	NFOZKLAIBTZRFW-UHFFFAOYSA-N	317.386	1.297	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@H](C)CC2(C)OCCO2)n1	758861833	GZNQWGPWCLVYRU-SNVBAGLBSA-N	323.397	1.509	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C1COC[C@H]1CC	853357396	SSGVRQIXHQAGHO-NEPJUHHUSA-N	323.393	1.432	50	20	DDGD	
O=C(CCCOc1ccc(F)cc1F)NNC(=O)c1ccc[nH]1	921304803	PEPDRRKUTBFQSI-UHFFFAOYSA-N	323.299	1.913	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1cc(C)ccc1O	758388056	USZKKMKWDPELGO-UHFFFAOYSA-N	312.329	1.575	50	20	DDGD	
O=C(NN=C1CCCC[C@@H]1CCCO)[C@@H]1CN2CCC[C@@H]2CO1	853390652	HRXPYERMLNNHAZ-FMKPAKJESA-N	323.437	1.285	50	20	DDGD	
CNC(=O)CCCC(=O)NNc1cccc(C(=O)OC)c1C	855625082	KBCHHBHXPRGGCL-UHFFFAOYSA-N	307.350	1.141	50	20	DDGD	
C[C@@H](NC(=O)CCc1ccccc1)C(=O)NCCCSC#N	854359752	URALAFCBIGMRQE-CYBMUJFWSA-N	319.430	1.844	50	20	DDGD	
COC(=O)[C@H]1C[C@H](NC(=O)/C(C#N)=C\c2ccc(O)cc2)C1	856367758	OQVRBCOWAYHRCX-ZTTWYVLDSA-N	300.314	1.367	50	20	DDGD	
CN1CCN(C(=O)[C@H](Br)C(C)(C)C)CCC1=O	855915834	IOMXSPMGQXCKAO-JTQLQIEISA-N	305.216	1.487	50	20	DDGD	
C#C[C@@](C)(CC)NCC(=O)NNC(=O)Cc1ccccc1C	852102064	VGXLPDAJGPGGBH-KRWDZBQOSA-N	301.390	1.076	50	20	DDGD	
CCCNC(=O)CCNC(=O)NC[C@@]1(C)C[C@@H]1Br	856827334	PVJGMGFTBSQGOX-JOYOIKCWSA-N	320.231	1.375	50	20	DDGD	
Cc1cnc([C@H](NC(=O)NNC(=O)c2cn[nH]c2)C2CC2)s1	858704652	OISPDXBAOROKAE-SNVBAGLBSA-N	320.378	1.270	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2cccc3c2OCC3)o1	927538925	GVHIQDRNNMGYHZ-UHFFFAOYSA-N	315.329	1.667	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@]2(C)CC=CCC2)c1O	857012692	QOKXYEYDGHBJIE-INIZCTEOSA-N	304.346	1.908	50	20	DDGD	
COc1ccc(NNC(=O)c2nc3cnccc3s2)nc1	857490317	LDYRDVPBSARQBI-UHFFFAOYSA-N	301.331	1.852	50	20	DDGD	
Cc1nn(C(C)C)cc1C(=O)NNC(=O)c1cccc(Cl)n1	857324468	GQWDCISCCXUWMN-UHFFFAOYSA-N	321.768	1.896	50	20	DDGD	
CC1(C)CC(=NNC(=O)c2cc[nH]n2)c2ccc(O)cc2O1	853391852	YNBNPYSHNHUFCV-UHFFFAOYSA-N	300.318	1.811	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@@H]1CCc2cc(F)ccc21	854997747	SHCMBMYCRADJLF-SNVBAGLBSA-N	304.243	1.955	50	20	DDGD	
C[C@H](C(=O)NC[C@]1(C)C[C@@H]1Br)N1CCSCC1	857395381	XDLZDDMWEYBWEY-SCVCMEIPSA-N	321.284	1.713	50	20	DDGD	
Cn1ccc(C=NNC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)c1	853376886	ZXQRFUMEHXMBMP-UKRRQHHQSA-N	315.377	1.377	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1ccc2nsnc2c1	753416615	NGKMJPMLGFPBQH-UHFFFAOYSA-N	306.738	1.892	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)NCC1CC1)n1ccc(C(F)(F)F)n1	865015640	FJMHBFRFPFYVBH-ZETCQYMHSA-N	319.287	1.203	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)C(=O)N2CCC[C@H](C)C2)c1	862477373	KWIBFTCYKULPTO-VIFPVBQESA-N	309.391	1.076	50	20	DDGD	
CCN(CC)C(=O)[C@@H](NNC(=O)c1cn[nH]c1)c1ccccc1	863378235	ADTVIPCNVIHRQY-AWEZNQCLSA-N	315.377	1.254	50	20	DDGD	
CC(C)c1ccccc1OCCC(=O)NNC(=O)c1cn[nH]c1	862472652	PSVZHIYESCBWCZ-UHFFFAOYSA-N	316.361	1.763	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1	867512326	HHMGXEFBDQGXMS-GHMZBOCLSA-N	322.858	1.182	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)[C@@H]1CCCCO1)c1ccc(F)cc1	861854333	WBADGWGZYPYXFJ-QWHCGFSZSA-N	310.325	1.230	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=O)c2ccncc2)cc1F	765182354	AKRSKCQBKNOTBO-UHFFFAOYSA-N	316.292	1.254	50	20	DDGD	
CC(C)n1nnc(NC(=O)NC[C@@]2(C)C[C@H]2Br)n1	933456717	QOLVIAQMUVXEEP-GMSGAONNSA-N	317.191	1.549	50	20	DDGD	
CN(C)CCOCCNC(=O)[C@@H](Br)C(C)(C)C	768389515	ZKZWHNPKNKHJOF-SNVBAGLBSA-N	309.248	1.490	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H]2CCCN2Cc2ccccn2)cc[nH]1	862511050	DUHPGCFXBGEPKB-MRXNPFEDSA-N	311.389	1.315	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCc1cncc2ccccc12	764978845	UWXJDGHDVXEBCQ-UHFFFAOYSA-N	322.368	1.967	50	20	DDGD	
CCn1nc(C=NNC(=O)N2CCOCC2)c2ccccc21	769780872	SSRGEYLPHYLTMX-UHFFFAOYSA-N	301.350	1.432	50	20	DDGD	
CC[C@@]1(C(=O)NNc2ccc(C#N)c(Cl)c2)CCNC1=O	867378584	YHAFLERKRFBFEN-CQSZACIVSA-N	306.753	1.571	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCC(=O)NCC1CC1	768389300	CMGWXANTRBZXRC-JTQLQIEISA-N	305.216	1.438	50	20	DDGD	
CCCC1(C(=O)OCC(=O)NNC(=O)c2ccc(C)cc2)CC1	761470309	NEMGCDLHBDQEGQ-UHFFFAOYSA-N	318.373	1.880	50	20	DDGD	
C[C@H](C(=O)N(C)NC(=O)OCc1ccccc1)[C@H]1CCC(=O)N1	862289250	MYQXZBRQMQTMKI-WCQYABFASA-N	319.361	1.201	50	20	DDGD	
O=C(NNC(=O)c1cccc(Br)c1)c1cncnc1	760600221	WAUADMIOVPUXBW-UHFFFAOYSA-N	321.134	1.314	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn(C3CC3)c2)c(O)c1	863859725	QURCEBZZOOQMPM-UHFFFAOYSA-N	300.318	1.307	50	20	DDGD	
O=C(NNC(=O)c1cncn1-c1ccccc1)c1cc(F)c[nH]1	1117703789	DQBMNWDBTQMFQB-UHFFFAOYSA-N	313.292	1.414	50	20	DDGD	
O=C1CCc2cc(C(=O)NNC(=O)C3CCCC3)c(F)cc2N1	767869466	PVVUJLCAVCCVJM-UHFFFAOYSA-N	319.336	1.662	50	20	DDGD	
CCCNC(=O)NNC(=O)CCCOCc1ccc(OC)cc1	760383245	XXQMKHMXPZSNSD-UHFFFAOYSA-N	323.393	1.732	50	20	DDGD	
Cc1nn(C)cc1CCC(=O)NNc1cnnc2ccccc12	1116073729	GHJTXIMFFOAGIF-UHFFFAOYSA-N	310.361	1.748	50	20	DDGD	
COC1(C(=O)NC[C@@]2(C)C[C@@H]2Br)CCNCC1	1118755369	YHIVMFYHKCRQIQ-GXSJLCMTSA-N	305.216	1.045	50	20	DDGD	
CCO[C@H]1CCCC1=NNC(=O)C(=O)Nc1ccc(C)cc1	766431090	MHDAXSRGPUIXLX-AWEZNQCLSA-N	303.362	1.995	50	20	DDGD	
COC(=O)N(C)NC(=O)NC1CCC(O)(c2ccccc2)CC1	875493947	NIEXRWVUPPYRBP-UHFFFAOYSA-N	321.377	1.729	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2cnsc2)n1	872326881	BVWCBNZEPHCXLJ-UHFFFAOYSA-N	307.404	1.792	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C=O)cc1	771971626	ZMOKGLDPMOBUCL-NSHDSACASA-N	320.345	1.238	50	20	DDGD	
O=C(NNC(=O)c1ccc(OC(F)F)cn1)c1ccncc1	771841575	VVTCPZANYMGZTK-UHFFFAOYSA-N	308.244	1.153	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2ccncn2)cc1	770769206	WFOGFZIYJAUXDS-UHFFFAOYSA-N	301.306	1.017	50	20	DDGD	
CC(C)(N)c1nocc1C(=O)NC[C@]1(C)C[C@H]1Br	1118754408	KJOUIXOVTVIMNS-PELKAZGASA-N	316.199	1.772	50	20	DDGD	
C[C@]1(CNC(=O)N[C@H]2C[C@H](C(=O)O)C2)C[C@@H]1Br	874408021	MAQIIRAXVRVOTQ-CIOUSYIGSA-N	305.172	1.322	50	20	DDGD	
CC#CCCNC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	776206409	XTRXMOGIFMWLIF-NSHDSACASA-N	307.325	1.337	50	20	DDGD	
CC(C)c1ccc(C(=O)NNc2nncc(N)c2Cl)nc1	1117641506	ZAOFDPMYTQLUIR-UHFFFAOYSA-N	306.757	1.988	50	20	DDGD	
COc1ccnc(NNC(=O)CCCC(=O)OC(C)(C)C)n1	1118275886	BYRFGBUQOSDGHD-UHFFFAOYSA-N	310.354	1.440	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cnccn2)ccc1[N+](=O)[O-]	771185205	CWLAPWBQYZDUHD-UHFFFAOYSA-N	316.277	1.160	50	20	DDGD	
O=C(CCn1ccc2ccccc21)NNC(=O)C1CCOCC1	883060610	RAFMWCVKPRETJD-UHFFFAOYSA-N	315.373	1.605	50	20	DDGD	
CCOCCn1cc(C(=O)NNc2ccc(F)c(F)c2)cn1	885115814	OCYJKUDQQRFUAD-UHFFFAOYSA-N	310.304	1.955	50	20	DDGD	
NC(=O)[C@H]1c2ccccc2CCN1S(=O)(=O)CCCCl	881870768	ZMWCVZDXQRALGQ-GFCCVEGCSA-N	316.810	1.030	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)n1cc(-c2sccc2C)nn1	881294019	WMDXAQSQHDVYCK-SECBINFHSA-N	307.379	1.433	50	20	DDGD	
CCC(C)(C)NC(=S)NNC(=O)C(=O)Nc1ccc(C)cc1	774152619	MIRYQXPSAXJXSP-UHFFFAOYSA-N	322.434	1.617	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc2nc(OCC)[nH]c2c1	887148306	WUDVTHYCSNTEAN-UHFFFAOYSA-N	314.345	1.526	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OC[C@H](C)O)c1C	787562765	JGPSLYYNERGOKG-AAWHYMEISA-N	306.362	1.582	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@@]23CCC[C@@H]2C3)cc1	891957280	BWYWCQOOLPWFJX-BDJLRTHQSA-N	303.362	1.445	50	20	DDGD	
CC(=O)Nc1ccc(CNS(=O)(=O)CCCCCl)cn1	788682550	RRRSBTRWQGJUOF-UHFFFAOYSA-N	319.814	1.478	50	20	DDGD	
CCN(CCNC(=O)NNc1ncncc1Cl)C(C)C	780989397	PZBXKHGQMYXUOY-UHFFFAOYSA-N	300.794	1.486	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCC[C@@H](c2ccnn2C)C1	790294498	RPPKYUSAQIGJOF-CHWSQXEVSA-N	322.409	1.601	50	20	DDGD	
CCn1ncnc1CNC(=O)[C@@H](Br)C(C)(C)C	794231435	CRHTUIOCFDOXPR-SECBINFHSA-N	303.204	1.724	50	20	DDGD	
Cc1nc2ccc(C(=O)NNc3nc4ccccn4n3)cc2n1C	793956408	YJILBFGLUSEKHM-UHFFFAOYSA-N	321.344	1.681	50	20	DDGD	
COc1cc(C#N)ccc1S(=O)(=O)NCCSSC	790348995	CNVKYUMAVZYPKZ-UHFFFAOYSA-N	318.445	1.856	50	20	DDGD	
Cc1ccnc(NNC(=O)Cc2ccc([S@@](C)=O)cc2)c1	798112261	RNANWXMZJLYQQE-OAQYLSRUSA-N	303.387	1.813	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC(CC(F)(F)F)CC1	792933924	POHOAHQLVBJPQK-VIFPVBQESA-N	309.332	1.597	50	20	DDGD	
COCC[C@H]1CCCC1=NNC(=O)[C@H](C)CN1CCOCC1	799873004	ILIBKSGENCZSDE-ZIAGYGMSSA-N	311.426	1.264	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])o1	791069431	LAGGZVFMBYUCGS-UHFFFAOYSA-N	308.225	1.183	50	20	DDGD	
COc1cc(C#N)ccc1OCC(=O)NNc1ncccc1C	791224893	JMCXYLRPOCXFHB-UHFFFAOYSA-N	312.329	1.792	50	20	DDGD	
COc1coc(C(=O)NNc2cc(Cl)nc(C)n2)cc1=O	799099758	DXXJASSEQWEJHS-UHFFFAOYSA-N	310.697	1.157	50	20	DDGD	
Cc1cccc(C(=O)NNS(=O)(=O)c2cc(C)oc2C)n1	794600106	YMOPXXNSPZVBHD-UHFFFAOYSA-N	309.347	1.223	50	20	DDGD	
COC(=O)c1cc(C(=O)NNC(=O)Nc2ccccc2C)on1	798310119	JSYCZSDCVHRBLB-UHFFFAOYSA-N	318.289	1.236	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)c1cc(C)n(C)n1	799877752	FNYYONWOQGWVMN-UHFFFAOYSA-N	319.390	1.060	50	20	DDGD	
COc1ccc(/C=C(/C#N)S(N)(=O)=O)cc1OCCCC#N	799894082	NJUOPOMZIGJJKL-WQLSENKSSA-N	321.358	1.531	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)C(=O)Nc2cccc(F)n2)c1	793035915	IEGFYKNJFDLBJC-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
CSSCCNC(=O)NC[C@@H](C)CN1CCOCC1	790769336	CWXMIUJMRQRODI-LLVKDONJSA-N	307.485	1.265	50	20	DDGD	
O=C(CNc1ccccc1F)NN=C1CC(=O)N2CCCC[C@H]12	799467958	KRDDXSDCTCIRPF-CQSZACIVSA-N	318.352	1.495	50	20	DDGD	
CC(C)CO[C@@H]1CC(=NNC(=O)N2CCN(C)CC2)C1(C)C	790173572	IRKFBRKKMPLREP-CQSZACIVSA-N	310.442	1.771	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@@H]1CCC(F)(F)C1	794898030	CAQIDWQGJLKMDX-SNVBAGLBSA-N	300.280	1.951	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=S)NC(C)C)cc1C	1318328999	VTMBQQOULDKDNH-UHFFFAOYSA-N	309.435	1.976	50	20	DDGD	
O=C(CC1(O)CCCC1)NNc1cncc(Br)c1	1319646163	FLJQQRQDIPPWFM-UHFFFAOYSA-N	314.183	1.982	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@@H]2COc3ccccc32)c1Cl	1319217997	BDLGAAZXACLATM-MRVPVSSYSA-N	305.725	1.332	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H]1CCCCN1Cc1cccnc1	1318396810	KGDFNAHEXCKNIJ-HNNXBMFYSA-N	318.421	1.630	50	20	DDGD	
CC(C)c1cc(NC(=O)C(=O)NNc2nccnc2Cl)no1	1320711800	VXEMUHXSBPIPAU-UHFFFAOYSA-N	324.728	1.323	50	20	DDGD	
CCn1nc(C(C)C)cc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	1326648669	SYLUQJDJZQCMDC-GHMZBOCLSA-N	308.382	1.212	50	20	DDGD	
Cn1ccc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)n1	1326192005	FLSRGWXCLBXBOC-SNVBAGLBSA-N	317.324	1.055	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc(CN2CCCCC2)o1	1332593964	SYZDJSFFCYXWKR-UHFFFAOYSA-N	324.450	1.783	50	20	DDGD	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CC[C@@H](B(O)O)C1	585074735	NYCIVXVOXNMUKB-NXEZZACHSA-N	313.615	1.896	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CC[C@@]2(CCOC2=O)C1	1339417476	VBMBQOMVVUROAR-NOZJJQNGSA-N	318.211	1.962	50	20	DDGD	
CC(C)CN1CCN(S(=O)(=O)CCCCCl)CC1=O	780853702	HATNGXBGNUKEQY-UHFFFAOYSA-N	310.847	1.135	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@H](C)c1cccc2ccccc12	1339818385	NMRISAITAFBKDF-SNVBAGLBSA-N	315.329	1.404	50	20	DDGD	
Cc1ccc(F)c2c1NC(=O)C2=NNC(=O)C1CCOCC1	1333215390	OIZGXFOPCNTRBJ-UHFFFAOYSA-N	305.309	1.333	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2c[nH]c3cnccc23)n1	1343951003	WDVWAGRBTCSUNE-UHFFFAOYSA-N	309.329	1.270	50	20	DDGD	
CCN(CC)CC[C@H](C)NC(=O)NNC(=O)OC(C)(C)C	1263820254	RDFZCEDCOQUYDF-NSHDSACASA-N	302.419	1.846	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCCC(=O)OC(C)(C)C	1349432131	DZCZJLSHFSWTFE-WDEREUQCSA-N	314.382	1.071	50	20	DDGD	
Cn1cc(C(=O)O)c(NC(=O)[C@H](Br)C(C)(C)C)n1	1600932894	HONWLJBVZFEIOD-ZETCQYMHSA-N	318.171	1.866	50	20	DDGD	
COc1ccc(C(=O)NNc2ncccc2C(=O)O)cc1F	1604763928	PFTHHIDVVBEHHZ-UHFFFAOYSA-N	305.265	1.684	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNc2cc(Cl)nc(N)n2)c1	1600108419	IANSSUZQNLVXLQ-UHFFFAOYSA-N	321.724	1.476	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(F)c(C(=O)O)c1)n1cccn1	1603239205	SOZPJVQCHPTYKF-UHFFFAOYSA-N	306.297	1.599	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@H]1CCCC[C@H]1C(=O)O	1601562320	YYLIJOGLOKALAV-VHSXEESVSA-N	303.322	1.063	50	20	DDGD	
C[C@@H]1[C@@H](Cl)[C@H]1CNCCNc1ccc(-c2nn[nH]n2)cn1	1603834438	KESWQJXXDMRTAS-PTOFAABTSA-N	307.789	1.137	50	20	DDGD	
CC[C@H](C)C(=O)NN=CCCc1ccc(-c2nn[nH]n2)cc1	1609183985	LPEVIPDBWWUJME-NSHDSACASA-N	300.366	1.947	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn3c2NC[C@@H](C)C3)cc1	1548615758	KTYNSVJEGXBZBL-LLVKDONJSA-N	313.361	1.328	50	20	DDGD	
O=C(NCCC[C@@H]1CCCN1)NNc1cccc(C(=O)O)c1	1610689949	JFDZJLMVIXPYEA-LBPRGKRZSA-N	306.366	1.543	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@H]1C=NNC(=O)c1cnsn1	1552920058	LXSCOJMRDVJBDB-ONGXEEELSA-N	320.378	1.155	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H]1CNCCC12CCC2	1579296579	DWSYXAJHAUFWDP-CYBMUJFWSA-N	317.389	1.236	50	20	DDGD	
CC[C@@H](NC)C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	1577171929	CCSXZGWZBYQFSM-GXSJLCMTSA-N	309.435	1.632	50	20	DDGD	
CC[C@@](C)(CN)C(=O)NNC(=S)NCCc1cccs1	1576948333	JAVGPRWIKZBAAF-ZDUSSCGKSA-N	314.480	1.161	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@H](N)CCC(C)C)cc1	1579735031	COUTWGRILYDHBO-CQSZACIVSA-N	323.462	1.998	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NC[C@H]1CCC2(CNC2)O1	1579708569	ZYDKADRAPDTLSD-GFCCVEGCSA-N	308.357	1.281	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cc(CN)n(C)c2C)n1	1579861578	YMKAEQYSPCQWKH-UHFFFAOYSA-N	308.773	1.301	50	20	DDGD	
CNc1cccc(C(=O)NNC(=O)COc2ccc(F)cc2)c1	1578764854	YCGLNAGGTQKCFP-UHFFFAOYSA-N	317.320	1.707	50	20	DDGD	
CC(=O)c1cncc(C(=O)NNc2ccc(CC(=O)O)cc2)c1	1589318747	RCRHHEQPPYLLSP-UHFFFAOYSA-N	313.313	1.668	50	20	DDGD	
C[C@@H]1C[C@@]1(C)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1845084743	IMCGFUMSACGKSO-GIPNMCIBSA-N	302.777	1.770	50	20	DDGD	
CC(C)CCC(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2	1845983400	LHVDTFWGKJEYCB-LBPRGKRZSA-N	316.829	1.226	50	20	DDGD	
COc1ccccc1NNC(=O)Nc1c(C(=O)O)cnn1C	1599716129	XLKWZLDFHSMMLX-UHFFFAOYSA-N	305.294	1.276	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H](C(=O)O)C(C)C)c1	1594351877	CMLOSUITGSJVQJ-LBPRGKRZSA-N	323.418	1.978	50	20	DDGD	
CCCn1cccc1C=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1590664194	QDVHNRWJMBBQDX-UHFFFAOYSA-N	323.360	1.842	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2cc(C)ncn2)c1	161202038	BUPRWZSNPBBHRC-UHFFFAOYSA-N	314.345	1.242	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)c2ccccc21	153070359	DGVMTFGBJLSFJR-AWEZNQCLSA-N	301.346	1.508	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@@]2(CCOC2)C1	155052749	JTMSYUNUQHNGRR-OAHLLOKOSA-N	311.813	1.991	50	20	DDGD	
NC(=O)NCCCCC(=O)NNc1ccc(C(F)(F)F)cc1	153822953	IEWLMFSIRVIWSG-UHFFFAOYSA-N	318.299	1.987	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)[nH]n1	153838461	AEDPNLGSBKBLDB-UHFFFAOYSA-N	318.293	1.401	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1ccc(C)cn1	156201284	KULTYNKXWPEQPU-UHFFFAOYSA-N	314.345	1.272	50	20	DDGD	
N#Cc1ccc(NNC(=O)CNC(=O)Cc2ccccc2)cc1	155335459	NHVVDDUTLBKAMU-UHFFFAOYSA-N	308.341	1.360	50	20	DDGD	
CN(C)C(=O)[C@@H]1CCN(C[C@H](CBr)C2CC2)C1	859328652	RWBKITWNIIARAH-NEPJUHHUSA-N	303.244	1.818	50	20	DDGD	
O=C(O)c1cccc(CNS(=O)(=O)CBr)c1	309709575	WPERMSWQLLCBDO-UHFFFAOYSA-N	308.153	1.157	50	20	DDGD	
O=S(=O)(CCCCl)N1CCC(O)(C(F)(F)F)CC1	310894766	ZNLJIBHPWBQCEO-UHFFFAOYSA-N	309.737	1.334	50	20	DDGD	
Cc1nnsc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	7964818	ZRKFTIIBPBSILV-MRVPVSSYSA-N	324.337	1.214	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(C)cc1OC[C@@H]1CCCO1	56760673	NEMJBDLIWWHHQU-NSHDSACASA-N	323.349	1.945	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1cccc(Cl)n1	104830407	YYLNYJVQQJWJQN-UHFFFAOYSA-N	304.737	1.608	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)ccc1Cl)C(=O)NC1CC1	9889636	DMTWHOHWGOGMNY-UHFFFAOYSA-N	316.144	1.033	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccc(N(C)C)cc2C)nn1	115854600	FXQAIPUCFAXNSJ-UHFFFAOYSA-N	314.393	1.986	50	20	DDGD	
CCN(CC)c1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1	174966659	LZOILWAHFBDECP-UHFFFAOYSA-N	315.377	1.260	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cc(F)c(F)c(F)c2F)cn1	117680944	CYKPVZVAIZSRPG-UHFFFAOYSA-N	316.214	1.051	50	20	DDGD	
Cc1ccc2c(CC(=O)NNC(=O)c3c[nH]nc3C)c[nH]c2c1	110760320	VNEOOFRAGXBAOP-UHFFFAOYSA-N	311.345	1.512	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1ccccc1[N+](=O)[O-]	103060355	OWNQJMWUPMCHPG-UHFFFAOYSA-N	315.351	1.341	50	20	DDGD	
CCCC(=O)N1CCC[C@H]1C(=O)NNc1cccc([N+](=O)[O-])c1	178867472	AWLMSJLTJNGDKC-ZDUSSCGKSA-N	320.349	1.829	50	20	DDGD	
CC(C)NC(=O)Nc1ccc(C(=O)NNc2ncccn2)cc1	52410545	ZNQKDXUVGLGUJY-UHFFFAOYSA-N	314.349	1.763	50	20	DDGD	
CC(C)[C@H](C)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1	171921662	BAVNXYSQHSPZAL-JTQLQIEISA-N	312.391	1.143	50	20	DDGD	
C[C@H]1C[C@H]1C(=O)NNc1nc(Br)cn2ccnc12	176192344	BTJFZKNATBJVRJ-NKWVEPMBSA-N	310.155	1.591	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CC[C@@H]2CC[C@@H](C)O2)c1	174919705	PYOGRAJXNFAHNF-KGLIPLIRSA-N	320.389	1.869	50	20	DDGD	
Cn1cc(/C=C/C(=O)NNC(=O)NCCc2cccs2)cn1	65202494	TVACQPRRBIFVTD-SNAWJCMRSA-N	319.390	1.068	50	20	DDGD	
COCc1cccc(CNS(=O)(=O)CBr)c1	127337219	OWYPLHXGZPEBAQ-UHFFFAOYSA-N	308.197	1.605	50	20	DDGD	
Nc1c(Cl)cc(C(=O)NNC(=O)c2ccc[nH]2)cc1Cl	122308901	ZBHREQIICLNLQM-UHFFFAOYSA-N	313.144	1.979	50	20	DDGD	
COC(=O)c1[nH]c(C)c(C(=O)NNc2ncc(F)cn2)c1C	122908874	RYCQHYIXCZZAPK-UHFFFAOYSA-N	307.285	1.104	50	20	DDGD	
Cc1cc2occ(C(=O)NNC(=O)Cc3cc[nH]n3)c2cc1C	185411363	NFYWACGIGAYNLP-UHFFFAOYSA-N	312.329	1.776	50	20	DDGD	
Cc1ccnc(O)c1C(=O)NNC(=O)c1cc2ccccc2o1	181163701	TVXDHFRPNZSTOS-UHFFFAOYSA-N	311.297	1.917	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)c2c(C)nc3ccccn23)co1	120211034	YKTSPGGHKQPYPU-UHFFFAOYSA-N	313.317	1.268	50	20	DDGD	
C[C@H](OC[C@H]1CCCO1)C(=O)NNC(=O)CCc1ccccc1	132452850	PGAMURJMOXTZOP-DZGCQCFKSA-N	320.389	1.351	50	20	DDGD	
Cc1cc(NNC(=O)c2n[nH]c3c2CCCCC3)nc(C)n1	188148182	SNVZDVSYOQDBOU-UHFFFAOYSA-N	300.366	1.842	50	20	DDGD	
C=CCOc1ccc(C(=O)NNc2ncc(F)cn2)cc1OC	122545957	MRSKLDUPPXMUID-UHFFFAOYSA-N	318.308	1.946	50	20	DDGD	
COc1ccnc(NNC(=O)c2c[nH]c(=O)c3ccccc23)n1	189468856	VKVUPQPFRUKVJX-UHFFFAOYSA-N	311.301	1.084	50	20	DDGD	
C[C@H](CC(=O)NNc1ccnc(F)c1)NC(=O)C1CCCC1	182430138	RRLLZEKOATURBK-SNVBAGLBSA-N	308.357	1.749	50	20	DDGD	
Cc1cnccc1NC(=O)NNC(=O)COCc1ccccc1	183445291	KHOJQXWMESYDTG-UHFFFAOYSA-N	314.345	1.760	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)CSc2ccc(C)cc2)cn1	74686644	YUHUZHBGFUOUPZ-UHFFFAOYSA-N	318.402	1.765	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1cnn(C(C)(C)C)c1	126103128	OPXFPLBTKCVROH-UHFFFAOYSA-N	323.397	1.160	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNC(=O)C(C)(C)C)c1ccc(F)cc1	79653652	WZTPMLFAGWZXKS-ZDUSSCGKSA-N	324.400	1.805	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)c1n[nH]c2ccccc12	129238650	NOLXKJZODVMBCJ-UHFFFAOYSA-N	324.340	1.793	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C(C)(C)C)c1nnc2ccccn12	121543450	YCQWZAKLTIZIQU-VIFPVBQESA-N	304.354	1.167	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(C)Cc2cccnc2)c1	132274986	MVOLQYQRAOGCJF-UHFFFAOYSA-N	312.373	1.283	50	20	DDGD	
C[C@@H](C[S@@](C)=O)NC(=O)NNc1cc(F)c(F)c(F)c1	182581809	HZKJHTRYADDQDG-SXPOAWKSSA-N	309.313	1.497	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNc1ccc(C#N)c(Cl)c1	182374949	MFKBOPSVDUOTTM-UHFFFAOYSA-N	310.741	1.789	50	20	DDGD	
CC(=O)NNC(=O)Nc1nnc(-c2cc(C)cc(C)c2)s1	131349703	HEFXIOURYFNGRB-UHFFFAOYSA-N	305.363	1.995	50	20	DDGD	
COc1ncccc1NC(=O)C(=O)NNc1cc(C)cc(C)c1	131901778	SOASMRPPYBELEI-UHFFFAOYSA-N	314.345	1.789	50	20	DDGD	
C[C@H](NC(=O)NNc1ncnc2ccsc12)c1cnn(C)c1	130901499	DGBPXNZKARSQOM-QMMMGPOBSA-N	317.378	1.812	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(NC)c([N+](=O)[O-])c1	138598782	DFCQJWITCOAHOG-UHFFFAOYSA-N	309.326	1.381	50	20	DDGD	
Cn1c(=NNC(=O)c2cnc(Cl)cn2)sc2ccccc21	255379907	JWCOZSMKADVPOE-UHFFFAOYSA-N	319.777	1.929	50	20	DDGD	
COc1ccccc1NCC(=O)NN=Cc1ccc([N+](=O)[O-])o1	257353291	QINQITAXNWOBMJ-UHFFFAOYSA-N	318.289	1.759	50	20	DDGD	
Cn1c(=NNC(=O)NCC2CCOCC2)sc2ccccc21	255377165	IPAWMZDKSPHOEC-UHFFFAOYSA-N	320.418	1.781	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=S)Nc1ccccc1OC	269865421	WBHHGVJOKQAPHO-SNVBAGLBSA-N	311.407	1.828	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCC1(N2CCCC2)CCOCC1	264236049	DKEPRSDBURUOCX-WYMLVPIESA-N	307.394	1.192	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NO[C@H]1CCCCO1)c1ccccc1	275161991	UTJNYILPTDZUOT-ZDUSSCGKSA-N	321.377	1.753	50	20	DDGD	
COc1cccc(NNC(=O)[C@H]2Cc3ccccc3C(=O)O2)n1	367964288	ONCQZDOCKUMWNR-GFCCVEGCSA-N	313.313	1.315	50	20	DDGD	
O=C(NNC(=O)c1cc2n(n1)CCO2)c1ccc(Cl)cc1	367702104	MERCUBQORICRSU-UHFFFAOYSA-N	306.709	1.004	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)n1	273305685	UXQJRYICGUSQQD-JTQLQIEISA-N	322.365	1.064	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1CCCc2c(O)cccc21	281153673	HOFJYKLDACHFHY-LBPRGKRZSA-N	305.403	1.493	50	20	DDGD	
C[C@H](Sc1nnnn1C1CC1)C(=O)NNc1cccc(F)n1	286658242	VDBVCKWZOKRRRR-ZETCQYMHSA-N	323.357	1.166	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2cccc(N(C)C)c2)SCCO1	280833646	UPBJYKRULGEGEE-UHFFFAOYSA-N	321.402	1.509	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)c1ccc2c(c1)OCCO2)C(C)C	281175500	YFNZJSRVZJNGOY-GFCCVEGCSA-N	317.345	1.060	50	20	DDGD	
N#C/C(=C/c1ccc2c(c1)NC(=O)CO2)C(=O)[C@H]1CCCOC1	280070110	PUMDQLQEOCNTMR-CHDKLRHSSA-N	312.325	1.920	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NC[C@H]2CCCSC2)cc1	288075923	UJWLWTINGRZGMQ-GFCCVEGCSA-N	318.402	1.645	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NC[C@@H]2CCCSC2)cc1	288075929	UJWLWTINGRZGMQ-LBPRGKRZSA-N	318.402	1.645	50	20	DDGD	
COC(=O)NNC(=O)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1	281929561	HVOLYULLTCCUKX-KCJUWKMLSA-N	316.716	1.944	50	20	DDGD	
Cn1ncc2c1C[C@H](C(=O)NNc1ccc(Cl)nc1)CC2	282141082	ZNEPQJONYOFNIV-SECBINFHSA-N	305.769	1.717	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1c(O)cnc2ccc(Cl)cc12	801601881	UGJOCXZJVFHMPI-UHFFFAOYSA-N	305.721	1.765	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Nc1nc(C)n(C)n1)c1ccccc1	297431759	OWSAJCHPJULBQF-GFCCVEGCSA-N	316.365	1.470	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCCCOC(F)F	801072596	WBNCFURGEZKULU-UHFFFAOYSA-N	316.308	1.960	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2ccn3ccnc3c2)O1	297277648	ZDZWGIMYTUBLNS-ONGXEEELSA-N	303.322	1.055	50	20	DDGD	
Cn1cc([N+](=O)[O-])cc1C(=O)NNc1nccnc1C1CCC1	805472037	AAUMPCDBFPDARD-UHFFFAOYSA-N	316.321	1.748	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc2nnc(S)n2c1	295036556	IWINFIVOGJIWSD-UHFFFAOYSA-N	307.379	1.215	50	20	DDGD	
CC[C@H](C(=O)NNc1cccc(NC(C)=O)c1)N1CCCC1=O	293973779	RATXKKOSGARQJV-CQSZACIVSA-N	318.377	1.489	50	20	DDGD	
C[C@@H]1CN(CCOC(=O)/C(C#N)=C/c2ccccc2)CCO1	800216914	HTTASEQWZHBTKP-DSQDWWTGSA-N	300.358	1.857	50	20	DDGD	
CN1CCC(CC(=O)NNC(=O)c2ccc(Cl)nc2)CC1	291548386	WHGFTHRGAYNARZ-UHFFFAOYSA-N	310.785	1.228	50	20	DDGD	
N#Cc1ccncc1C(=O)NNC(=O)c1cc2ccccc2o1	805188240	GNBLINRERJBIIL-UHFFFAOYSA-N	306.281	1.774	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)C(=O)OC)cc1	299599299	MHTATDDYLRRUSQ-GJSJWPQCSA-N	302.330	1.670	50	20	DDGD	
O=C(C[C@H]1CCc2ccccc2C1)NNC(=O)N=c1cc[nH]cc1	802030108	XGSWWQTYRJNIHU-ZDUSSCGKSA-N	324.384	1.851	50	20	DDGD	
O=C(CN1CCSC1=O)NNc1ccc2c(=O)[nH]ccc2c1	803435274	RTQYHOKZIMVRLB-UHFFFAOYSA-N	318.358	1.140	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2cncn2C1)c1ccc(Cl)cc1	816818491	CATBTDNWGMSDPD-NSHDSACASA-N	318.764	1.560	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1c(C2CC2)nc2sccn12	814957430	FYKUJFCRPDYZOZ-UHFFFAOYSA-N	314.374	1.689	50	20	DDGD	
C[C@H](C=NNC(=O)[C@H]1CCS(=O)(=O)C1)C1CCCCC1	814782411	USUVQCYTSHEWME-YPMHNXCESA-N	300.424	1.740	50	20	DDGD	
Cc1nnc2n1C[C@H](C(=O)NNc1cccc(Cl)n1)CC2	817008370	PRJMMFZPGKRDRC-SECBINFHSA-N	306.757	1.341	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@H]1CCc2cccnc21	816828802	PNGUPVMGOBQKQA-AWEZNQCLSA-N	313.332	1.641	50	20	DDGD	
COc1ccc(C=NNC(=O)COc2ccccc2O)cn1	814953399	BDFQFQGXPDMMJT-UHFFFAOYSA-N	301.302	1.325	50	20	DDGD	
C[C@@H](Oc1cccc(Br)c1)C(=O)NN=C1COC1	814751402	LGPIXMJRYGOPSI-MRVPVSSYSA-N	313.151	1.719	50	20	DDGD	
CN(C)C(=O)c1ccc(C(=O)NNc2ncncc2F)cc1	817080340	KHZXLCYVIDGYFJ-UHFFFAOYSA-N	303.297	1.074	50	20	DDGD	
Cn1nncc1NNC(=O)CCCOc1ccc(Cl)cc1	816771710	XQKBHZPRLQOTMH-UHFFFAOYSA-N	309.757	1.771	50	20	DDGD	
Cc1nc2cc(F)ccc2cc1C(=O)NNc1cnnn1C	816772280	TWGWFUWFXGJYGO-UHFFFAOYSA-N	300.297	1.568	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2cccnc2F)c1	813364278	MCGQWRMPCTYZAJ-UHFFFAOYSA-N	317.320	1.678	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)NOC/C=C\Cl	811983643	CBTGEZOWROKAFT-DJWKRKHSSA-N	315.782	1.865	50	20	DDGD	
CCC1(CC)C(=O)NCCC1=NNC(=O)c1cccc(C#N)c1	819807252	DBSPDTVWYXPMCY-UHFFFAOYSA-N	312.373	1.970	50	20	DDGD	
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NN(C)C1CC1	819640900	GSSAEMCJBRFEOI-MRXNPFEDSA-N	314.389	1.341	50	20	DDGD	
COC1([C@H](C)NC(=O)NNc2ncccc2F)CCOCC1	817173498	NKPSDCWYHDHFAH-JTQLQIEISA-N	312.345	1.431	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C(C)=C2CCC2)c(OC)c1	825747394	VBWUZWACXJZIIL-UHFFFAOYSA-N	304.346	1.965	50	20	DDGD	
COCCC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)C(C)C	821684850	MGHSSUWUUHCVFA-UHFFFAOYSA-N	316.365	1.645	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)Cc1cn(C)nc1C	827840241	LZAVLZPRIUKBQV-UHFFFAOYSA-N	302.334	1.201	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C[C@@H]1CC[C@H]2C[C@@H]12	824044081	JRYNZLQOAOVHPW-RWMBFGLXSA-N	317.389	1.691	50	20	DDGD	
CC(=O)c1ccc(CC(=O)NNC(=O)c2cccc(C#N)c2)cc1	728825196	MJQCCSFIPLIFKW-UHFFFAOYSA-N	321.336	1.765	50	20	DDGD	
CC[C@@H](C(=O)NNC(=S)NCCc1cccs1)N(C)C	820168931	KKKFFCIUELINQG-NSHDSACASA-N	314.480	1.126	50	20	DDGD	
CCN1C[C@@H](CN(C)S(=O)(=O)CCl)Oc2ccccc21	829853874	BZMZMCCMEYBGIT-LLVKDONJSA-N	318.826	1.732	50	20	DDGD	
CO[C@](C)(C1CC1)[C@@H](C)NC(=O)/C(C#N)=C/c1cnn(C)c1	491161699	PHQWJWUWWAXAPD-AZWZXGBGSA-N	302.378	1.647	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccc2c1OCC[C@@H]2OC	496742131	RWRZLQAEMJXLOU-NSHDSACASA-N	309.322	1.939	50	20	DDGD	
CN(C)CC(=O)NN=C1CCC(NC(=O)OC(C)(C)C)CC1	491319562	KVKLTNGZORQBOR-UHFFFAOYSA-N	312.414	1.488	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2nc(-c3cccnc3)no2)cc1	728078327	ABSQDGIEPJNXIX-UHFFFAOYSA-N	306.285	1.760	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)Cc1ccccc1C)C(C)(C)C	491782992	OSQIZRIPHURVOI-CQSZACIVSA-N	301.390	1.916	50	20	DDGD	
O=C(Cc1c[nH]c2cc(F)ccc12)NNC(=O)CC(F)(F)F	725888436	HEDYZJHSNYMKOV-UHFFFAOYSA-N	317.242	1.949	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(OC2CCOCC2)cc1	823951058	HMNHPYFBMYKDKA-GFCCVEGCSA-N	308.378	1.202	50	20	DDGD	
COc1cccc2c1OC[C@H](NC(=O)NNC(=O)C(C)(C)C)C2	728398175	BDLRKAZLQOVSLK-LLVKDONJSA-N	321.377	1.375	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)C1(O)CCCCC1	822728370	RIIFWRNHWLSXIV-UHFFFAOYSA-N	310.325	1.751	50	20	DDGD	
CCOc1cccc2c1OCC(C(=O)NN(C)[C@H](C)CO)=C2	823971752	ZBYQJSAQZHCEEB-LLVKDONJSA-N	306.362	1.205	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)ncn1	495523328	HPRWMAAAICJDBM-SNVBAGLBSA-N	307.354	1.238	50	20	DDGD	
CC1=CCN(CCNC(=O)[C@@]2(C)C[C@@H]2Br)CC1	907386830	YDIZXRAMDHZVRE-AAEUAGOBSA-N	301.228	1.928	50	20	DDGD	
CCN(Cc1ccccc1C)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	827315139	NQVAAPFRNWLARJ-DZGCQCFKSA-N	319.405	1.983	50	20	DDGD	
CCN(CCO)NC(=O)[C@]1(C(=O)OC(C)(C)C)CC1(C)C	823897592	HGOJWLLDJKFCSI-HNNXBMFYSA-N	300.399	1.090	50	20	DDGD	
CCn1cc(C=NNC(=O)CNC(=O)c2cccs2)c(C)n1	901182283	NFGYQOSXTKVZQU-UHFFFAOYSA-N	319.390	1.153	50	20	DDGD	
COC(=O)N(C)NC(=O)CCC(=O)c1ccc2c(c1)OCCO2	495759190	BGWNKCRNNSUPAT-UHFFFAOYSA-N	322.317	1.150	50	20	DDGD	
C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)C(C)(C)C	734625402	NKIJRIYNGUBQFR-NSHDSACASA-N	306.362	1.673	50	20	DDGD	
CCCOc1cc(C)ccc1NC(=O)C(=O)NNC(=O)OCC	495407500	KOMVEQHHYHVKDA-UHFFFAOYSA-N	323.349	1.500	50	20	DDGD	
O=C(NN=C1C[C@@]2(CCOC2)Oc2ccccc21)c1cnccn1	901165507	IYIJWIFYMJKXCZ-QGZVFWFLSA-N	324.340	1.552	50	20	DDGD	
CN(C)C(=O)O[C@@H]1CCN(C(=O)[C@@]2(C)C[C@H]2Br)C1	908536990	KOSQXPYWAISYLE-LNLATYFQSA-N	319.199	1.459	50	20	DDGD	
CC(C)CO[C@@H](C)C(=O)NNc1ccccc1S(C)(=O)=O	732303096	DKNAZLLYBUBFEA-NSHDSACASA-N	314.407	1.594	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCC(C)(C)C(=O)O)cc1	830232439	VMSSPQBVPBITDK-UHFFFAOYSA-N	307.350	1.304	50	20	DDGD	
COc1cc(C#N)ccc1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	831672699	PMARMMKWUPBLMM-KOLCDFICSA-N	318.333	1.145	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCCC[C@@H]1CCOC1	836648885	YCHDWIVHRKVQJM-OAHLLOKOSA-N	319.405	1.766	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCCc3c(F)cccc32)c(F)c1	585043822	SNWBHCXBCQEZRJ-QGZVFWFLSA-N	317.144	1.812	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc3n(n2)CCC3)c(F)c1	837206075	IRVSVOWAGXVVIX-UHFFFAOYSA-N	318.308	1.512	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@@H]1C1CCCCC1	584932390	SOKJARSINSEQMZ-MRXNPFEDSA-N	319.185	1.690	50	20	DDGD	
CCO[C@H]1COCC[C@@H]1NC(=O)NNc1ncc(F)cc1F	838552237	OJPKUTCPKNLILE-QWRGUYRKSA-N	316.308	1.180	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCn2cccc2[C@H]1C	731848745	KASDQIGSKGGNAG-CHWSQXEVSA-N	306.410	1.447	50	20	DDGD	
O=C(NNC(=O)N[C@H]1CCSC1)Nc1ccc2c(c1)OCO2	836331892	PLVFAOSJXJVMMR-VIFPVBQESA-N	324.362	1.257	50	20	DDGD	
C[C@@]1(C(=O)N2CCN(c3ccccn3)CC2)C[C@H]1Br	905086139	RJVHMCNUOPNTGZ-BXUZGUMPSA-N	324.222	1.904	50	20	DDGD	
CCOC1CC(CCNC(=O)NNC(=O)[C@@H]2CCCCO2)C1	836420979	QKBLCVDJCNUBRP-BPCQOVAHSA-N	313.398	1.091	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)Cn2ccc(C)n2)cc1C	832303888	RQCPCGFVFLCQHW-UHFFFAOYSA-N	316.361	1.820	50	20	DDGD	
CCC[C@@H](CC1CCCC1)C(=O)NNC(=O)C(=O)N1CCCC1	733257608	UTZAXKKYXSBZOO-AWEZNQCLSA-N	323.437	1.753	50	20	DDGD	
CCOc1ccc(C(=O)NN=C2CCN(OC)CC2)cc1OC	834929223	KMLNVYKRHXSENA-UHFFFAOYSA-N	321.377	1.837	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)C1CCCC1)Cc1ccccc1	836425482	BEINYTDSRDUQFW-HNNXBMFYSA-N	319.405	1.765	50	20	DDGD	
CC(C)n1ccc(CNC(=O)NNC(=O)CC(F)(F)F)n1	739052907	ZCSZPAIWHRHATL-UHFFFAOYSA-N	307.276	1.247	50	20	DDGD	
O=C(NCCCc1ccccc1)NNC(=O)[C@@H]1CCCCO1	836187269	XMUMOJNCOCZIIH-AWEZNQCLSA-N	305.378	1.519	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)ccc1F	837692202	ULYBYHFHKNQLPN-XWIASGKRSA-N	308.309	1.623	50	20	DDGD	
Cc1ccc(C(=O)NN(C)C[C@H](C)O)c(Br)c1	910160605	LTHSKKDINBTBDU-VIFPVBQESA-N	301.184	1.715	50	20	DDGD	
C[C@@H]1CC[C@H](CNC(=O)NNC(=O)CCc2ccccc2)O1	838744639	KSDKSADLVHWQTB-TZMCWYRMSA-N	305.378	1.517	50	20	DDGD	
Cn1ncc(C2CC2)c1C(=O)NNc1cc(Cl)nc(N)n1	831988502	OBUZSZMDOUHZJD-UHFFFAOYSA-N	307.745	1.080	50	20	DDGD	
CCCc1noc2nc(CC)cc(C(=O)NN(C)C[C@H](C)O)c12	910150065	MALMDRILVCSJEO-JTQLQIEISA-N	320.393	1.695	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)C#CC1CC1	837311757	ZCCUHZBCTSEOFJ-UHFFFAOYSA-N	310.357	1.160	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ncccn1	841349840	AEWJKAHZELMFAM-RWMBFGLXSA-N	302.378	1.844	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)C(F)(F)c1ccc(F)cc1	743470087	NEVUHCDMJAFCJQ-UHFFFAOYSA-N	322.250	1.727	50	20	DDGD	
CC(C)c1ccc(NNC(=O)c2nc(N)nc(N(C)C)n2)cc1	846653624	CWFCXDWPBVBZCH-UHFFFAOYSA-N	315.381	1.400	50	20	DDGD	
Cc1noc(C)c1C=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1	916366386	URJKTEAEWJBYKZ-IJLUTSLNSA-N	322.409	1.487	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)OCCN2CCCC2=O)cc1	918863950	GNVOSFWBCYDFQJ-SDNWHVSQSA-N	314.341	1.768	50	20	DDGD	
NC[C@@H]1CC[C@@H](NC(=O)NNc2cc(F)c(F)cc2F)C1	842012437	ZGBLJYUZFNDSCF-HTQZYQBOSA-N	302.300	1.857	50	20	DDGD	
COc1cc(C(=O)NN=C2CO[C@H](C)C2)cc(OC)c1OC	842519062	DRUCDSCHMORQKY-SECBINFHSA-N	308.334	1.607	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1c(F)cccc1OC	741809046	DWDMKWQMLDVLSZ-UHFFFAOYSA-N	323.368	1.979	50	20	DDGD	
CCOC(=O)c1ccc(NC(=S)NNC(=O)N(C)C)cc1	745735834	ITWVXLASUMALNO-UHFFFAOYSA-N	310.379	1.336	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cnn1CCC(C)C	843661939	OUQJLPWLSKRXKE-QWHCGFSZSA-N	322.409	1.424	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)N[C@H]1CCN2CCC[C@H]2C1	745563732	VFEDEYXRCVABNH-JQWIXIFHSA-N	309.801	1.988	50	20	DDGD	
NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1cccc(Cl)c1Cl	848220085	MEGARCIZWTTWFP-RQJHMYQMSA-N	302.161	1.948	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NC[C@H]1CCCCN1)c1ccccc1	841921929	MVWOZFFYEGFINQ-CQSZACIVSA-N	318.421	1.437	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1CCC(F)(F)CC1	842522261	WFTLUJWNBHDTNL-NSHDSACASA-N	303.353	1.636	50	20	DDGD	
CN(C)[C@H](CC(=O)NNC(=O)c1ccc[nH]1)c1ccccc1	841376915	AIBSHCZEBFTOAR-CQSZACIVSA-N	300.362	1.469	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cnn(-c2ccccc2)c1C1CC1	910173467	MHBFKWMOTZUNGO-GFCCVEGCSA-N	314.389	1.707	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)c2ccccn2)cc(C)c1F	742024798	BHCDGUIZGRPFLS-UHFFFAOYSA-N	323.349	1.461	50	20	DDGD	
CC[C@H]1COC(C)(C)CN1CC(=O)NNC(=O)c1ccccc1	844386886	PGJPBWCJXDBLII-AWEZNQCLSA-N	319.405	1.337	50	20	DDGD	
O=C(NNC(=O)c1cccc2cccnc12)c1ccnc(F)c1	748732968	KFLYQZLWBCMWQT-UHFFFAOYSA-N	310.288	1.844	50	20	DDGD	
COCCCOc1cccc(C=NNC(=O)[C@H]2CCO[C@@H]2C)c1	842554519	JKEGIIUPXHZUNR-CJNGLKHVSA-N	320.389	1.977	50	20	DDGD	
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NNC(=O)CC(C)C)C1	750296716	KMGPRJGSILAHGZ-OABGYEMISA-N	317.455	1.443	50	20	DDGD	
COC1(CNC(=O)NNc2cc(F)ccc2F)CCOCC1	921576718	BJRHYWQSDOASNS-UHFFFAOYSA-N	315.320	1.787	50	20	DDGD	
CC(C)c1nocc1C(=O)NNC(=O)Cc1ccc(F)cc1	858150543	ASAQCZCGWRMXGC-UHFFFAOYSA-N	305.309	1.941	50	20	DDGD	
CC(=O)N1CC[C@@H](NC(=O)NNc2c(F)cc(F)cc2F)C1	923372334	FHSCWNHPNYRDAO-SECBINFHSA-N	316.283	1.351	50	20	DDGD	
COC(C)(C)CN(C)C(=O)NNC(=O)COCc1ccccc1	758879467	HBVVAHVDEUYJPN-UHFFFAOYSA-N	323.393	1.301	50	20	DDGD	
Cn1cncc1CNC(=O)NC[C@]1(C)C[C@H]1Br	856857492	CRLAIBNAOWOXLR-KOLCDFICSA-N	301.188	1.393	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cccc(N2CCCC2)c1	756239001	WTFOKJIQYFTNOC-UHFFFAOYSA-N	306.366	1.476	50	20	DDGD	
CC[C@@H](CN1CCOCC1)NC(=O)NNc1ccc(F)cc1	925572191	GUCVMVMMURHWOC-ZDUSSCGKSA-N	310.373	1.563	50	20	DDGD	
CN1C[C@@H](NC(=O)NNc2ccc(Cl)c(F)c2)CC1=O	750653521	VXKRFFBAODGPLB-QMMMGPOBSA-N	300.721	1.336	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)c2cc(F)cc(Cl)c2)nn1	757407817	LOWKBXMRFCLGGG-UHFFFAOYSA-N	309.688	1.125	50	20	DDGD	
O=C(NNC(=O)C(F)(F)c1ccc(F)cc1)c1ccncc1	920841037	BINIQXPRUHVOBN-UHFFFAOYSA-N	309.247	1.774	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCc1ccnc(N(C)C)n1	853963104	WGGRYBDYGIQRHV-UHFFFAOYSA-N	318.356	1.816	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)C[C@@H]1CCCS(=O)(=O)C1	855370044	LLWDQBBIVGJHAX-NSHDSACASA-N	314.382	1.792	50	20	DDGD	
COc1cccc2c1OCC(C(=O)NNC(=O)NCC1CC1)=C2	751370463	DOCVFMBTGLQBPC-UHFFFAOYSA-N	317.345	1.211	50	20	DDGD	
CN(C)C(=O)OCCNC(=O)[C@H](Br)C(C)(C)C	855647674	ITOXAAAJDRSFOC-QMMMGPOBSA-N	309.204	1.610	50	20	DDGD	
O=C(NN=Cc1c(F)cccc1F)[C@@H]1CN2CCC[C@@H]2CO1	853387036	GNKUUDAELCFENY-YGRLFVJLSA-N	309.316	1.278	50	20	DDGD	
C[C@]1(CNC(=O)NCCc2cn[nH]c2)C[C@@H]1Br	856859046	FIIBSWHQSHAJTG-GXSJLCMTSA-N	301.188	1.425	50	20	DDGD	
O=C(NNc1cc(F)cc(Cl)c1)[C@H]1CCCS1(=O)=O	855622110	WPYUHCOAIRXOTQ-SNVBAGLBSA-N	306.746	1.499	50	20	DDGD	
C[C@@]1(CNC(=O)CCCNC(=O)C2CC2)C[C@H]1Br	857399239	QTORWCOFMRAEQQ-MFKMUULPSA-N	317.227	1.583	50	20	DDGD	
Cc1ccc2sc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)cc2c1	862463049	XFKBFEFGJUCVPA-JTQLQIEISA-N	317.370	1.249	50	20	DDGD	
CC(C)Cn1[nH]c(CC(=O)NNc2ncccc2F)cc1=O	935917853	DOFMDQGUYLYJNV-UHFFFAOYSA-N	307.329	1.052	50	20	DDGD	
CN1CCO[C@H](C(=O)NNc2nc3ccccc3[nH]c2=S)C1	862293665	LSKBTUKQIPCEBV-NSHDSACASA-N	319.390	1.066	50	20	DDGD	
CSc1ccc(CCC(=O)NNC(=O)c2cc(C)[nH]n2)cc1	935140390	RWCNPDNLRXFWRJ-UHFFFAOYSA-N	318.402	1.834	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]21	762630558	OCMJPBQMNMRIEF-SCVCMEIPSA-N	317.480	1.743	50	20	DDGD	
Cc1[nH]nc(C(=O)NN[C@@H](C)C(F)(F)F)c1Br	862310261	TXPKRZCPXCBDFM-BYPYZUCNSA-N	315.093	1.666	50	20	DDGD	
CC(C)(CC(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CCCCC1	862459196	OVJMCRLSILEEMA-GFCCVEGCSA-N	309.410	1.409	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@@H]2C)c1	860682823	FBMDNYJTBYAMKE-RMIALFOJSA-N	306.362	1.976	50	20	DDGD	
Cc1onc(CC(=O)NNCC(F)(F)C(F)(F)F)c1C#N	863099588	IAQMOBNZADTJEE-UHFFFAOYSA-N	312.198	1.216	50	20	DDGD	
Cc1oc2ncn(C)c(=O)c2c1C(=O)NN[C@@H](C)C(F)(F)F	862304443	BLGZKGVDTYYPSO-LURJTMIESA-N	318.255	1.020	50	20	DDGD	
Cc1nn(C)c(=O)c(C(=O)NNc2cccc([N+](=O)[O-])c2)c1C	765199355	SJMMWCPHCXQBGG-UHFFFAOYSA-N	317.305	1.062	50	20	DDGD	
CCCNC(=S)NNC(=O)CSc1ccccc1OC	761188397	HXTUQVHTHBHGTA-UHFFFAOYSA-N	313.448	1.693	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2conc2C)c1C	864492900	SDNXOSFVRPLACW-GFCCVEGCSA-N	317.345	1.828	50	20	DDGD	
CCc1nocc1C(=O)NNC(=O)CNc1ccc(C)cc1	863853274	CZQXGYZOLRYBNV-UHFFFAOYSA-N	302.334	1.419	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1sc(C)cc1C	864590210	DIQRCKQVURTKLJ-UHFFFAOYSA-N	315.464	1.853	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cccc(Nc2ccccc2)c1	768240535	DAJLLECNKJLTOE-UHFFFAOYSA-N	313.357	1.962	50	20	DDGD	
CNc1c(C(=O)NNC(=O)c2ccccc2)cccc1[N+](=O)[O-]	765367065	MCOSAKOXASSCIO-UHFFFAOYSA-N	314.301	1.711	50	20	DDGD	
CC[C@@H](CC(=O)NNC(=O)COCCOC)c1ccccc1	869908978	DLIWIKPHUZTMEM-ZDUSSCGKSA-N	308.378	1.381	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1cncc(C)c1	767366016	CXVTWFHIQZXSTF-CYBMUJFWSA-N	304.394	1.199	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CCCc2ccc(F)cc2)n[nH]1	869018876	PCXAEIACEVHZPQ-UHFFFAOYSA-N	318.352	1.570	50	20	DDGD	
O=S(=O)(CCOCC(F)(F)F)NCC(Cl)Cl	867470717	VIVSUCGPOGPWIA-UHFFFAOYSA-N	304.117	1.288	50	20	DDGD	
C[C@H](C(=O)NNc1nc2ccccc2[nH]1)N1CCSCC1	768511742	DIKGBJBLIUYUPX-SNVBAGLBSA-N	305.407	1.443	50	20	DDGD	
N#Cc1ccc(CN2CCC(=NNC(=O)c3cn[nH]c3)CC2)cc1	863155905	DGFIDKQRVGMHDZ-UHFFFAOYSA-N	322.372	1.663	50	20	DDGD	
CN1CC[C@@](O)(CNC(=O)CCCC[C@@H]2CCSS2)C1	762723530	UASZBKOBMLCYJY-TZMCWYRMSA-N	318.508	1.883	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H]2CC(=O)NNC(=O)c1ccc[nH]1	760248430	ZEJYSYOSNGSDTO-JTQLQIEISA-N	315.329	1.351	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(SC)c(Cl)c1	763440947	FSZBJOMIUGEVKU-UHFFFAOYSA-N	315.782	1.558	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)c1ccc2c(cnn2C(C)C)c1	768498162	XCLNIVQCDSHSJX-UHFFFAOYSA-N	324.406	1.583	50	20	DDGD	
COC(=O)N(C)N=Cc1ccc(OCCN2CCOCC2)cc1	872372592	DISDZTLSQQZFFX-UHFFFAOYSA-N	321.377	1.430	50	20	DDGD	
CCCCOc1cccc(NC(=O)C(=O)NNC(=O)CC)c1	763431311	SAPBNPUFFIHAQD-UHFFFAOYSA-N	307.350	1.361	50	20	DDGD	
CN(NC(=O)c1cc(-c2ccccn2)nc2ccccc12)C(N)=O	778411707	GNJUWDFKMZEDNH-UHFFFAOYSA-N	321.340	1.952	50	20	DDGD	
Cc1ccsc1CCNC(=O)NNC(=O)CC(F)(F)F	774305601	WSSKNWHFYMOJMA-UHFFFAOYSA-N	309.313	1.882	50	20	DDGD	
COC[C@@H](C)n1ccc(NC(=O)NNC(=O)C2CCCC2)n1	779930867	WXSWJROVEHGLMV-SNVBAGLBSA-N	309.370	1.433	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cc([N+](=O)[O-])c2nsnc2c1	778271020	ZCMLGNJDEYVKIM-UHFFFAOYSA-N	321.318	1.161	50	20	DDGD	
CCC(=NNC(=O)NCC(=O)OC)c1ccc2c(c1)CCO2	779816558	KIORIBUJNORTCM-UHFFFAOYSA-N	305.334	1.208	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2cnccc2N(C)C)ccn1	776186835	VEFYUSDAMDLKHV-UHFFFAOYSA-N	312.377	1.373	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])c(C)c1	771890772	QGRWOEQTUHHYTM-SECBINFHSA-N	323.305	1.006	50	20	DDGD	
Cc1cccc(NNC(=O)NCCN2CCC(N(C)C)CC2)n1	875429022	XJXGKVVFKJRJDK-UHFFFAOYSA-N	320.441	1.042	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)N[C@H]1CC12CCC2	876425976	GQYPNHLGJCOGPT-AWEZNQCLSA-N	312.373	1.983	50	20	DDGD	
CCC(CC)[C@H](C(=O)NNc1ccncn1)N1CCOCC1	1117812104	XJVBKXUENTYMKT-CQSZACIVSA-N	307.398	1.057	50	20	DDGD	
CC(=NNC(=O)c1ccccc1Cl)c1cc(C(N)=O)n(C)c1	1115818809	AZACXLHKHJPSQA-UHFFFAOYSA-N	318.764	1.931	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)Cc1ccccc1CC#N)C1CC1	776978989	PEFBOFDJNKLXIV-NSHDSACASA-N	316.430	1.589	50	20	DDGD	
CN(C)CC1(C(=O)NNC(=O)c2cccc3cccnc23)CC1	874253333	MYRIMAAIRBKNIC-UHFFFAOYSA-N	312.373	1.338	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1ccc(F)cc1Cl	877929710	LHDARCCZPJXFCK-UHFFFAOYSA-N	319.720	1.295	50	20	DDGD	
CCCNC(=O)NNC(=O)c1nc(Br)cs1	779749705	NHOZXZLKDQWKOW-UHFFFAOYSA-N	307.173	1.260	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cn(C)nc1C(F)(F)F	887141914	OEVUDYPAPJREEP-UHFFFAOYSA-N	302.256	1.003	50	20	DDGD	
O=C(NC[C@H]1C=CCC1)NNC(=O)[C@H]1COc2ccccc2O1	883778803	IQJMCOMNYVIPSQ-SMDDNHRTSA-N	317.345	1.123	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2	887148309	WWPXXGZMUNKMEY-CNVPUSNMSA-N	318.295	1.293	50	20	DDGD	
CSc1cc(CNC(=O)NNc2ccc(C)nn2)ccn1	772101759	OXSRVQUONFUMDV-UHFFFAOYSA-N	304.379	1.728	50	20	DDGD	
CC(C)CC[C@@H]1CCCN1C(=O)NNC(=O)c1cccnn1	883851632	WIIRAVKDMXUYQM-LBPRGKRZSA-N	305.382	1.732	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1F)C1(C(=O)NC2CC2)CC1	885150916	OPENGSDMJGXAPK-UHFFFAOYSA-N	313.279	1.606	50	20	DDGD	
COc1cccc(NNC(=O)Nc2cc(C)cn(C)c2=O)n1	780598774	KFUHKXHDWXNUSN-UHFFFAOYSA-N	303.322	1.246	50	20	DDGD	
COc1ccc(C#N)cc1NC(=O)C(=O)NNc1ccccc1	784764357	XLDYGYWNYIUQDX-UHFFFAOYSA-N	310.313	1.649	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1	883084805	CBIXPPFILCGDSM-FRRDWIJNSA-N	317.393	1.780	50	20	DDGD	
Cc1cccc(CO[C@H](C)C(=O)NNC(=O)C2CCOCC2)c1	883072728	WYWBBODPUQMEBI-CYBMUJFWSA-N	320.389	1.474	50	20	DDGD	
CC(C)[C@@H](F)C(=O)OCC(=O)NNC(=O)c1cccs1	784302011	BXBVVVQPTFHXDG-SNVBAGLBSA-N	302.327	1.046	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1ccc(NC(C)=O)cc1	887139185	FDPRCUIVAVUHLH-UHFFFAOYSA-N	301.346	1.138	50	20	DDGD	
CC1(C)Cc2cccc(C(=O)NNC(=O)C3CCOCC3)c2O1	883071615	HPRTVVGSSPUSLX-UHFFFAOYSA-N	318.373	1.588	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cccc3c2ccn3C)ncn1	783948371	YXGOWYJRQDMBKO-UHFFFAOYSA-N	324.344	1.359	50	20	DDGD	
Cc1ccc(F)cc1C(=O)C(=O)NNC(=O)c1ccccc1O	782111589	INSDNHKOUVSGNB-UHFFFAOYSA-N	316.288	1.484	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21	891495923	UDAACTMHPSFIIU-XFBWCDHKSA-N	316.357	1.000	50	20	DDGD	
Cc1cccc(CC(=O)NNc2ccc(-n3ccnc3)nn2)c1	788177648	IANISRHXHVRIHN-UHFFFAOYSA-N	308.345	1.657	50	20	DDGD	
CO[C@H](C)CCC(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	782431802	KDLCTKLBLCOXJL-GFCCVEGCSA-N	322.361	1.114	50	20	DDGD	
COc1ccc(NNC(=O)c2cc3n(n2)CCCC3=O)cc1	894263372	FWNGWIOGSZECFY-UHFFFAOYSA-N	300.318	1.625	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccn(C)c(=O)c1	891305450	ZKLGEORVUQYXSQ-UHFFFAOYSA-N	308.769	1.690	50	20	DDGD	
C#CCCCCCC(=O)NNC(=O)COc1ccccc1O	780488411	MUUNTCSFMGVYEG-UHFFFAOYSA-N	304.346	1.502	50	20	DDGD	
CN(NC(=O)c1cc([C@@H]2CCCN2C)[nH]n1)C(=O)OC(C)(C)C	897966686	TYJZXNCKEZORRD-LBPRGKRZSA-N	323.397	1.688	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1cc(O)nc2c1CCCC2	895106848	HKKDNEKPSGIYNS-UHFFFAOYSA-N	319.752	1.866	50	20	DDGD	
Cc1coc(C)c1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	792758631	YITYCERRNHCQEQ-LLVKDONJSA-N	310.350	1.635	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(N(CC)CCC)nc1	798305051	RFESEGIMEADQEX-UHFFFAOYSA-N	321.450	1.613	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCC(=O)COC)cc1	795391788	GVVAIFYYRWKZBD-JYRVWZFOSA-N	303.314	1.751	50	20	DDGD	
Cn1c(Cl)cnc1C=NNC(=O)Cn1cnc2ccccc21	799469998	LVIOKABYDNFZDT-UHFFFAOYSA-N	316.752	1.574	50	20	DDGD	
CC(=NNC(=O)COc1ccc(F)cc1)c1cc(C)n(C)n1	799871273	RHLGVKFSWGFOMO-UHFFFAOYSA-N	304.325	1.787	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2csc(O)n2)cc1C	792014264	IAQYDVXTUDMLTI-UHFFFAOYSA-N	321.358	1.306	50	20	DDGD	
CC(C)(O)CC(=O)NNC(=O)c1cc(-c2ccccc2)on1	792033060	IAAYTNOZOKULAZ-UHFFFAOYSA-N	303.318	1.264	50	20	DDGD	
CSCCNC(=S)NNC(=O)CCCC1CCOCC1	798987574	AAIRXNFIHLUXOB-UHFFFAOYSA-N	319.496	1.442	50	20	DDGD	
COCCN([C@@H]1CC[C@@H](C)C1)S(=O)(=O)CBr	790937284	WUIGIBLKJXEAKL-NXEZZACHSA-N	314.245	1.806	50	20	DDGD	
Cc1coc(SCC(=O)NNC(=O)c2ccc(C#N)cc2)n1	790278745	GEPKAEVQFSKKRY-UHFFFAOYSA-N	316.342	1.408	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1	1319447277	KOOZVFYCDCLNKC-IMIFBBOLSA-N	315.373	1.684	50	20	DDGD	
O=C(NN=C1CCN2CCC[C@@H]12)c1cncn1-c1ccccc1	1319628901	BMXQFDOELIEIBO-HNNXBMFYSA-N	309.373	1.826	50	20	DDGD	
COC(=O)CCCNC(=O)NNc1ccc(C(C)(C)C)nn1	1318944808	PDQIKZNHUQNBLC-UHFFFAOYSA-N	309.370	1.353	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CC=CCC1	1328540485	BIOWSAJUJWFDIO-INIZCTEOSA-N	302.378	1.796	50	20	DDGD	
Cc1nn(CC(C)C)c(C)c1CCC(=O)NNc1ccn(C)n1	1320981804	MKQXGACOVLGORN-UHFFFAOYSA-N	318.425	1.965	50	20	DDGD	
Cc1ccc(CN(C)C(=O)NNC(=O)c2cn[nH]c2)cc1C	1329192048	BUOZKFOEJVZYHT-UHFFFAOYSA-N	301.350	1.513	50	20	DDGD	
CS[C@H]1CC[C@H](N(C)CC(=O)NNC(=O)c2ccccc2)C1	1320108652	NGOALXVADJTHQR-KBPBESRZSA-N	321.446	1.664	50	20	DDGD	
Cc1noc(Cl)c1CC(=O)NNC(=O)NCc1ccco1	1322275762	XIAHXAHBHFQVTD-UHFFFAOYSA-N	312.713	1.303	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1csc(O)n1	1321016872	AKPNMVZTHPCCDU-UHFFFAOYSA-N	304.291	1.051	50	20	DDGD	
O=C(NNc1cccc2cnccc12)C1CCS(=O)(=O)CC1	1321816785	BGXJIVGPVOZGLP-UHFFFAOYSA-N	319.386	1.503	50	20	DDGD	
CC1(C)CCC[C@@H](CNC(=O)NNC(=O)C2CCNCC2)C1	1328725359	PGJYZPJDRNGBPF-GFCCVEGCSA-N	310.442	1.533	50	20	DDGD	
Cc1ncnc(O)c1CCC(=O)NNc1nc2ccccc2[nH]1	1323286687	ZZJXQPDFOOTFAZ-UHFFFAOYSA-N	312.333	1.443	50	20	DDGD	
CCC[C@@H]1C[C@H](C(=O)NNc2nncc(N)c2Cl)CCO1	1320788468	YLIOFZDHGFDWHI-RKDXNWHRSA-N	313.789	1.751	50	20	DDGD	
Cn1c(C(=O)NN=c2cc[nH]cc2)cc(Br)c1C=O	1254389882	FDEQXFQEQSLJLB-UHFFFAOYSA-N	323.150	1.174	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1c(C)nc2sccn12	1321447532	PXEPBOQRHOLLQX-UHFFFAOYSA-N	319.390	1.167	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)N[C@H]1CCC[C@H](F)C1	1326297440	AQJYUIDHWGXNFM-STQMWFEESA-N	311.332	1.979	50	20	DDGD	
Cc1noc(Cl)c1CC(=O)NNC(=O)NCC(F)(F)F	1256497415	XKOZZHRAMJDMSR-UHFFFAOYSA-N	314.651	1.072	50	20	DDGD	
CC(C)CCN(C)C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1331095363	BGHFXDMAHZSIPP-GXFFZTMASA-N	319.243	1.781	50	20	DDGD	
CC[C@@H](C)C[C@@H](N)C(=O)NNc1ncc(Br)cn1	1263152535	LRXTXOGQEOKKJS-VXNVDRBHSA-N	316.203	1.446	50	20	DDGD	
Cn1ccc(NNC(=O)C[C@H](NC(=O)OC(C)(C)C)C2CC2)n1	1348607844	KNRXVTAHCXGUHT-NSHDSACASA-N	323.397	1.557	50	20	DDGD	
COc1cc(F)c(C(=O)NNC(=O)[C@H]2CCCCO2)c(F)c1	1340752862	JIGTWQOMGANAGK-LLVKDONJSA-N	314.288	1.304	50	20	DDGD	
COc1nc(Cl)c(C=NNC(=O)c2cccc(C#N)c2)n1C	1343881259	DOUKNQXSYQNSMU-UHFFFAOYSA-N	317.736	1.718	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@]2(F)CCOC2)c(C)c1	1352105115	GQNTUDZKYMIOFY-AWEZNQCLSA-N	311.382	1.750	50	20	DDGD	
CC(C)(C)OC(=O)N1CC2CC1(C(=O)NNc1ncccn1)C2	1357559409	GJLDHJYYVUJGCB-UHFFFAOYSA-N	319.365	1.319	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCc1cc(-c2nn[nH]n2)ccc1F	1609492492	HUVIYXLTZIESKW-WZUFQYTHSA-N	313.292	1.909	50	20	DDGD	
O=C(NN=C1C[C@H]2C[C@H](C(=O)O)[C@H]1C2)c1ccc([N+](=O)[O-])cc1	1601551822	AFUDEKDIWHFKAA-FXAINCCUSA-N	317.301	1.811	50	20	DDGD	
Cc1cnc2c(C(=O)NNc3ccccc3C(=O)O)cnn2c1	1607910945	UJSMXDMFZWBIJM-UHFFFAOYSA-N	311.301	1.493	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cc(F)cc(F)c2O)nc1	1608904311	PUAMFPIDXTZAKY-UHFFFAOYSA-N	309.228	1.521	50	20	DDGD	
CCC(CC)(C(=O)O)C(=O)NNC(=O)c1cccc(C#N)c1	1603525969	NQSPFNOUIFONMA-UHFFFAOYSA-N	303.318	1.210	50	20	DDGD	
Cn1nc(C2CC2)nc1/C(C#N)=C/c1cccc(-c2nn[nH]n2)c1	1606269046	YQBFCBCIABSCLR-MDWZMJQESA-N	318.344	1.937	50	20	DDGD	
O=C(O)CCc1csc(NC(=O)NN=c2cc[nH]cc2)n1	1610778659	IJNKMSANXOXPHA-UHFFFAOYSA-N	307.335	1.126	50	20	DDGD	
Cc1c[nH]nc1C=NNC(=O)[C@H]1CCCO[C@H]1c1ccnn1C	1549314479	IVJXKPHVXOAFHB-SMDDNHRTSA-N	316.365	1.070	50	20	DDGD	
COCCN(CC(C)C)NC(=O)[C@]1(C(=O)O)C[C@H]2CC[C@H]1C2	1574153879	YUSZZHJIELGPBL-XEZPLFJOSA-N	312.410	1.513	50	20	DDGD	
NC1(C(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)CC1	1574268703	FZSVOHIARLXTAO-UHFFFAOYSA-N	310.357	1.998	50	20	DDGD	
NCCCC(=O)NNC(=O)c1ccc(COc2ccccc2)o1	1580289904	WMTNEDSWDTZPRR-UHFFFAOYSA-N	317.345	1.359	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H](O)CC)C2	1841666917	XYEFPRNVZIZCLL-NWDGAFQWSA-N	316.829	1.368	50	20	DDGD	
NCCOc1ccc(NC(=O)NNc2ccc(F)cn2)cc1	1580313818	OXEDBRJUNHTIQL-UHFFFAOYSA-N	305.313	1.707	50	20	DDGD	
Nc1c(Cl)cccc1C(=O)NNc1ncccc1C(=O)O	1594662735	COWOEFBUMTYNKU-UHFFFAOYSA-N	306.709	1.772	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NN[C@@H](C(=O)O)C2CC2)cc1	1597129454	AMJKPXKLTBBGKN-QMTHXVAHSA-N	322.361	1.337	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1ccc(-c2nn[nH]n2)s1	1593167046	FPJIPYYQIJNXIV-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
CN(NC(=O)Nc1sccc1-c1nn[nH]n1)c1ccccn1	1591154239	JEDMBUWSXBURTI-UHFFFAOYSA-N	316.350	1.496	50	20	DDGD	
O=C(NN=C1CCc2cccc(C(=O)O)c21)c1nccs1	1776109465	KPSGYCQUKQWIOV-UHFFFAOYSA-N	301.327	1.922	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2ccc(C(=O)O)c(F)c2)n1	1776057818	HJDCAUBDBAORPH-UHFFFAOYSA-N	301.277	1.991	50	20	DDGD	
O=C(O)CCc1ccc(C=NNC(=O)Cc2ccccc2)o1	1776019042	XODAHAREEOPUHO-UHFFFAOYSA-N	300.314	1.990	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc([N+](=O)[O-])s1	14894826	AQDARZMTZBZONC-UHFFFAOYSA-N	302.381	1.564	50	20	DDGD	
CCN(CC)CCOc1ccc(NC(=O)NNC(C)=O)cc1	163437031	DZECPBMFWZJKPO-UHFFFAOYSA-N	308.382	1.580	50	20	DDGD	
O=C(NNC(=O)C1[C@H]2CCC[C@H]12)c1cc(-c2cccs2)n[nH]1	151100464	DWCNZWOLTUULKC-IUCAKERBSA-N	316.386	1.945	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2Cl)[nH]n1	153084369	BHCIBDYIZHCROF-VIFPVBQESA-N	322.752	1.600	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)CCCc2ccccc2)CCCO1	155068691	MPXZLSATIVGKNQ-KRWDZBQOSA-N	319.405	1.909	50	20	DDGD	
Cc1noc(C)c1CCC(=O)NNc1ncnc2nc[nH]c12	156222981	BJPRBJXBZSPAIB-UHFFFAOYSA-N	301.310	1.034	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)CCc2ccccc2)n[nH]1	154153295	ZLVNNGCCFQADQJ-UHFFFAOYSA-N	300.362	1.927	50	20	DDGD	
CN1C[C@H](N(C)C[C@@H](CBr)C2CC2)CCC1=O	859313909	KYEWSSGDHFUNQR-VXGBXAGGSA-N	303.244	1.960	50	20	DDGD	
CSSCCNC(=O)C1CN(C(=O)OC(C)(C)C)C1	495675393	WGGBZVSEVJGZOG-UHFFFAOYSA-N	306.453	1.981	50	20	DDGD	
C=CC(=O)Nc1ccccc1C(=O)NNC(=O)[C@@H]1CC1(F)F	2088605980	AUDLAAAMQNZEDD-VIFPVBQESA-N	309.272	1.227	50	20	DDGD	
C[C@@H](c1ccccc1Cl)N(C)CC(=O)NNC(=O)C1CC1	112977304	CQRGTJLPVWSORL-JTQLQIEISA-N	309.797	1.890	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(C)nc2)c1	25577543	HWOXNNVPVGIPFM-UHFFFAOYSA-N	313.357	1.847	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1cc(F)ccc1Cl	103058713	YISDXLQMVZDZOM-UHFFFAOYSA-N	308.762	1.835	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NCC(=O)NNC(=O)C2CC2)cc1	26969213	UCRBWFHAAKYTSA-UHFFFAOYSA-N	317.389	1.271	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1nc(Cl)ccc1Cl	109860755	VHMJQTIFYCPMER-UHFFFAOYSA-N	314.132	1.495	50	20	DDGD	
CC[C@H](OCCOc1ccc(B(O)O)cc1)c1ccccc1	403297933	SNZHTNRXEJEJIF-KRWDZBQOSA-N	300.163	1.913	50	20	DDGD	
CCC(CC)[C@H](C(=O)NNc1cc(C)ccn1)N1CCOCC1	176738783	ZGCJZPMTZWLPJI-MRXNPFEDSA-N	320.437	1.970	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(-n3nc(C)cc3C)nc2)ncn1	172281882	WCRPHOHVGNQHLH-UHFFFAOYSA-N	323.360	1.739	50	20	DDGD	
O=C(NNc1ncccc1Cl)c1ccc2c(c1)C(=O)NC2=O	114886238	FZZRQJMRGCWFRI-UHFFFAOYSA-N	316.704	1.376	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)Cn1ccc2ccccc21	173086635	MXQVEQCKWQAPQV-UHFFFAOYSA-N	315.373	1.772	50	20	DDGD	
COc1ccc(CNC(=O)/C(C#N)=C\c2cn(C)nc2C)cc1	179177095	ODINOUMGYKDYGJ-ZSOIEALJSA-N	310.357	1.961	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cccc(Oc2nccs2)c1	126605626	VLWFBCJGOKFRTF-UHFFFAOYSA-N	320.374	1.258	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1F	124800014	FORPLNSQNCNTSM-ZETCQYMHSA-N	315.732	1.611	50	20	DDGD	
CC[C@@H]1C[C@H](C(=O)NNC(=O)Cc2ccc(F)cc2)CCO1	183432931	UWJGPINGWWGBMF-TZMCWYRMSA-N	308.353	1.721	50	20	DDGD	
O=C(NCCCOCC1CCOCC1)NNc1ccccn1	77585042	BOSWLVBPZXOSGE-UHFFFAOYSA-N	308.382	1.541	50	20	DDGD	
Cc1ccccc1[C@H](CC(=O)NNC(=O)C(C)(C)C)NC(N)=O	77220562	WHIFDSFBORFBML-LBPRGKRZSA-N	320.393	1.288	50	20	DDGD	
Cc1c(NC(=O)C(=O)NNc2c(F)cccc2F)cnn1C	186300563	WQVAOVBOVHUJGG-UHFFFAOYSA-N	309.276	1.089	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)CCCc2ccccc2)CCO1	75983200	OBLXYGBSVDNNDU-CYBMUJFWSA-N	305.378	1.471	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)COC1CCCC1	44289765	MIEFHGLBKAWNCE-NSHDSACASA-N	324.352	1.700	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccsc1	181496097	CSHQXHBEVXMTOT-UHFFFAOYSA-N	306.303	1.738	50	20	DDGD	
CCn1nccc1/C=C/C(=O)NNc1nc(C)cc(OC)n1	132815741	APBVGSADUBERCG-AATRIKPKSA-N	302.338	1.167	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ncccn1)N(C)c1ccccc1	46341362	RKBKDUWOVHZNPQ-LBPRGKRZSA-N	300.366	1.628	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1ccc(S(C)(=O)=O)cc1	194357668	FEILWTHIOFQOTO-ZRDIBKRKSA-N	308.359	1.150	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)NCCc2cccs2)[nH]n1	48823498	ALXQSHIQMKYFKM-UHFFFAOYSA-N	309.420	1.131	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)C1CCN(C2CC2)CC1	195411673	SBNKSRJJOLCZMN-UHFFFAOYSA-N	315.417	1.641	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNC(=O)CCc1ccccc1	134884870	FSDKFLMZGJQLOU-UHFFFAOYSA-N	306.362	1.356	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1	132306641	RPNUGCPQWDQZEE-UHFFFAOYSA-N	317.389	1.368	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)COC2CCCCC2)c1	44819494	TYYBXGQVIUAFLS-UHFFFAOYSA-N	320.389	1.871	50	20	DDGD	
C[C@@H]1CCCN(CCNC(=O)NNc2nc3ccccn3n2)C1	190993234	FMCRRHDZKJXSAO-GFCCVEGCSA-N	317.397	1.087	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1cc(C(F)(F)F)ccn1	192419950	XELVSRUUHGKPRR-UHFFFAOYSA-N	313.239	1.895	50	20	DDGD	
C[C@H]1CN(S(=O)(=O)c2ccc(CCCCl)cc2)CCN1	237693749	MYRHOHBYJQLBGN-LBPRGKRZSA-N	316.854	1.840	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCCOCCO)cc1	255885430	QILMJCLLQVKRTE-KAMYIIQDSA-N	304.346	1.117	50	20	DDGD	
COCCOCc1cc(C(=O)NNc2ncccn2)ccc1F	266063851	KSCYGLPDQXDGHA-UHFFFAOYSA-N	320.324	1.536	50	20	DDGD	
CCC(CC)(CNC(=O)NNc1nc(C)cc(C)n1)C(=O)OC	269808014	TVOZQOMRQSLCPA-UHFFFAOYSA-N	323.397	1.699	50	20	DDGD	
CC[C@H](C)[C@H](O)CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	268596754	LTKRFZGOJHLTDZ-VIIWAURFSA-N	314.389	1.635	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)C(C1CC1)C1CC1	269991067	ZFECZKGDZRCNKW-UHFFFAOYSA-N	304.346	1.355	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ccc2oc(=O)ccc2c1	264739615	OOMLMPAFNJKECR-UHFFFAOYSA-N	301.302	1.746	50	20	DDGD	
COc1ccc2nc(NNC(=O)[C@H]3COCCO3)c(C)cc2c1	272467930	LUNVZSFXDCNDQZ-CQSZACIVSA-N	317.345	1.410	50	20	DDGD	
CN1C(=O)C[C@@H](C(=O)NNc2ccnc(F)c2)c2ccccc21	364696267	OVNLEUXZDBCOQZ-GFCCVEGCSA-N	314.320	1.814	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1ccc(C)c(C)c1	272400397	XMERPXMIUPWAHC-GFCCVEGCSA-N	309.366	1.508	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2nc(C(C)(C)C)ns2)[nH]n1	273383892	IWIKATPDDQHJMP-UHFFFAOYSA-N	323.382	1.334	50	20	DDGD	
COc1ccc2nc(NNC(=O)C3=COCCO3)c(C)cc2c1	272409072	CTMOAFVNRSDNNX-UHFFFAOYSA-N	315.329	1.883	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(OCC2CCOCC2)cc1	273171319	DZLAFQJGHRHXSL-UHFFFAOYSA-N	307.350	1.665	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccccc1OC1CCCC1	274104509	XFFNBZLRKDVQNV-UHFFFAOYSA-N	305.334	1.114	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNc1ccc(-n2ccnc2)nn1	278545217	FXTCIPBAUJHPJK-NSHDSACASA-N	304.354	1.311	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@@H]1CCc2cn[nH]c2C1	279291797	KYBGRPHIKIERBR-MRVPVSSYSA-N	319.296	1.705	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(NC(C)=O)c(OC)c1	273452208	CNKHHBYFAKDHFT-SECBINFHSA-N	322.365	1.852	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2CCCc3nn(C)cc32)n1	375619976	HNWREBIYZVIWQD-SNVBAGLBSA-N	316.365	1.090	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC2CC2)c(Br)c1	270013571	BFUZXGLLCWXBNJ-UHFFFAOYSA-N	312.167	1.864	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc(OC(C)C)nc2)n1	279744626	BKBXWAYCPJRTRD-UHFFFAOYSA-N	314.345	1.647	50	20	DDGD	
COC(=O)NNC(=O)CCCC(=O)c1ccc2c(c1)OCCO2	289172783	XPBMMCJDDBTJEH-UHFFFAOYSA-N	322.317	1.198	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)c2ccccc2)CCO[C@@H]1C1CC1	375135475	KPZDDBHUFSZHRF-PBHICJAKSA-N	317.389	1.836	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(OC(F)F)nc1	283016406	HLFGGLVJMQINPG-ZETCQYMHSA-N	302.281	1.882	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2CCN(CC(F)(F)F)C2)n1	280408106	WGRKRFTWGWLKFU-SECBINFHSA-N	318.299	1.418	50	20	DDGD	
Cc1c([C@H]2OCC[C@@H]2C(=O)NCC(Cl)Cl)cnn1C	288874818	LRIGDWYARHQFCW-KWQFWETISA-N	306.193	1.726	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2ncc(F)cc2F)[C@H]1OC	298248234	JWAIDPIINPQFCP-HBNTYKKESA-N	316.308	1.178	50	20	DDGD	
Cc1cccc(-n2cc(C(=O)NNC(=O)CC(C)C)nn2)c1	299644460	VUGQRLAWWQLSER-UHFFFAOYSA-N	301.350	1.383	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)[C@H]1CCCC12OCCO2	806811076	JJUMWADSGPUKLN-CYBMUJFWSA-N	313.357	1.643	50	20	DDGD	
O=C(CCNC(=O)c1ccc(F)cc1)NCC(Cl)Cl	297240248	ZFARIFQRKSDWHL-UHFFFAOYSA-N	307.152	1.866	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2CCCSC2)c1	809934540	WOGOYNIVURXKAD-GFCCVEGCSA-N	307.419	1.657	50	20	DDGD	
CCOc1cc(/C=C/C(=O)NNC(=O)CC2CC2)ccc1O	294327920	YTQLPFDTTIEZLB-SOFGYWHQSA-N	304.346	1.752	50	20	DDGD	
C[C@@H]1CSC[C@@H]1NC(=O)NNc1ccc2c(=O)[nH]ccc2c1	807477670	VTGIKWISFYEAMS-RNCFNFMXSA-N	318.402	1.906	50	20	DDGD	
COc1cccc(C2(C(=O)NNc3nnc(C)c(O)n3)CC2)c1	806364738	GZVMZEPKVHEIED-UHFFFAOYSA-N	315.333	1.069	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc(-n2ccnc2S)cc1	294012590	BMWKKIXVYCUQQP-UHFFFAOYSA-N	316.386	1.722	50	20	DDGD	
CCc1nc2ccc(Cl)cn2c1C(=O)NNC(=O)C1CC1	290928844	IRIXWQCWZFDHQY-UHFFFAOYSA-N	306.753	1.721	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)c1cncc(-n2ccnn2)c1	801929649	RSWNJDYDUKPYKO-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
CCn1cc([C@H](C)NC(=O)NNC(=O)c2ccc(C)s2)cn1	296223242	FEKNESXMJTVJHT-JTQLQIEISA-N	321.406	1.978	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H]2OC[C@H]3COCC[C@H]32)c1	290579423	SLJHFQCDJRLQQF-OWYVNGRQSA-N	310.325	1.329	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C1CCCC1)c1c(F)cncc1F	805352286	XXYNHOHYKYVZAV-MRVPVSSYSA-N	312.320	1.941	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)CCCOCc2ccccc2)O1	293911008	AFLKFEOIQPRQEJ-ZFWWWQNUSA-N	320.389	1.698	50	20	DDGD	
O=C(CC[C@H]1CCCO1)NNC(=O)COc1ccc(F)cc1	298317776	UTROOILQXLTWFF-GFCCVEGCSA-N	310.325	1.311	50	20	DDGD	
O=C(NNc1ncncc1F)c1cc(=O)c2ccccc2o1	817080517	RKMARRYGDQURBJ-UHFFFAOYSA-N	300.249	1.479	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1CC[C@H](CC(=O)O)[C@H]1C	814794164	AAZAQRXGVHWVSP-HTRCEHHLSA-N	310.379	1.640	50	20	DDGD	
COCCCOCC(=O)NNc1ncnc(Cl)c1C(C)C	816486095	OAFMPDXVSWSUTR-UHFFFAOYSA-N	316.789	1.750	50	20	DDGD	
CC(C)(C(=O)NNc1ncccn1)c1ccccc1[N+](=O)[O-]	814278959	IKTBUDBSVRICKB-UHFFFAOYSA-N	301.306	1.806	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCc1ncccn1)c1ccccc1	812505602	QSDYVKUSNCEQPV-CQSZACIVSA-N	312.373	1.750	50	20	DDGD	
O=C(CC1CC1)NN=C1C(=O)Nc2cc3c(cc21)OCCCO3	814989148	GEBSAWGGKSDQDW-UHFFFAOYSA-N	315.329	1.420	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@H]2COc3ccccc3C2)c1	728828249	MIUAJABEGGYTHC-OAHLLOKOSA-N	321.336	1.571	50	20	DDGD	
CC[C@@H]1CCCN1C(=O)NNC(=O)CNC(=O)c1cccs1	728951506	KHKZKMUQZAJUBZ-SNVBAGLBSA-N	324.406	1.093	50	20	DDGD	
CCCN(CC(=O)NNC(=O)C(C)C)Cc1ccc(F)cc1	827538236	SVQVCVMLTSXUOX-UHFFFAOYSA-N	309.385	1.841	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1	823965507	NYUIKLNMBLZSPK-ZBFHGGJFSA-N	305.422	1.242	50	20	DDGD	
COc1ccsc1C(=O)NNC(=O)c1ccc2c(c1)OCO2	729966732	YSHQKEKBTJRCPQ-UHFFFAOYSA-N	320.326	1.560	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)NC1CCCC1)NC(=O)C1CCCC1	727103334	GVMDJHOQVULJSX-LLVKDONJSA-N	324.425	1.344	50	20	DDGD	
O=C(/C=C\c1cccnc1)NNC(=O)COc1ccc(F)cc1	490704008	UGYHYBQSONSCSH-BAQGIRSFSA-N	315.304	1.460	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1C[C@@H](C)C[C@H]1c1ccccc1	829764314	ZYPQPGRKAGVQJG-ZFWWWQNUSA-N	303.406	1.873	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cc(SC)ccc1C	495409000	VMJUFHQULIZMQX-UHFFFAOYSA-N	311.363	1.433	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1cc2ccccc2[nH]1	826017114	VPPMWTWZEXMYMU-GWCFXTLKSA-N	316.361	1.423	50	20	DDGD	
O=C(CCCc1nn[nH]n1)NNc1cc(Cl)cc(Cl)c1	822398518	YKOAKGSUGOWKOK-UHFFFAOYSA-N	315.164	1.973	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@@H]2CCN(C3CC3)C2)cc(C#N)n1C	490636988	DSWGYTMGLYSWOF-XIEDVDOYSA-N	323.400	1.465	50	20	DDGD	
CNC(=O)/C(C#N)=C/c1ccc(OCCC(=O)O)c(OC)c1	490880977	WLNCCZQKPZPCSL-YRNVUSSQSA-N	304.302	1.202	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CCO1	824860706	XCSJAHOWZROKDQ-SECBINFHSA-N	300.322	1.151	50	20	DDGD	
O=C(NNC(=S)NCCc1cccnc1)NC1CCCC1	727699621	WCULURYJOSAJAU-UHFFFAOYSA-N	307.423	1.245	50	20	DDGD	
O=C(C[C@@H]1CC[C@@H]2C[C@@H]12)NNC(=O)c1ccc2c(c1)OCCO2	822293339	UKXPSUWLKWXJQU-NTZNESFSSA-N	316.357	1.655	50	20	DDGD	
CCc1cc(C(=O)NNCC(F)(F)C(F)(F)F)n(C)n1	825010417	VGAIEGGOYQNXEC-UHFFFAOYSA-N	300.231	1.415	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cc(C(=O)O)sc1C	729665210	DYNCLSRFGSNMCW-ZCFIWIBFSA-N	320.392	1.110	50	20	DDGD	
OB(O)c1cccc(CNC[C@@H](c2ccccc2)N2CCCC2)c1	585013838	ABSVKXWHLDKRDC-IBGZPJMESA-N	324.233	1.293	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1C[C@@H]1C1CCCCC1	826075941	HSURPULAJQMPFV-SCUASFONSA-N	309.410	1.711	50	20	DDGD	
C[C@@H]1C[C@@H]1c1ccc(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)o1	825681054	FNNLHHPSBOXWOY-WFFHOREQSA-N	321.377	1.658	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12	822234225	JLMZMZAWQYNWMM-FRRDWIJNSA-N	312.373	1.840	50	20	DDGD	
COC(=O)NCc1ccc(NC(=O)NNC(=O)CC(C)C)cc1	495306533	GJMVWHMGGGZRIC-UHFFFAOYSA-N	322.365	1.741	50	20	DDGD	
CC(C)[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)[C@H]1C(C)C	584996374	GJIAJNVIKJYMDT-DOMZBBRYSA-N	307.174	1.258	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	822206538	MTIRGMHOXWNPEV-HONMWMINSA-N	322.336	1.332	50	20	DDGD	
CC1(C(=O)NNC(=O)Cc2cn3ccccc3n2)CC(F)(F)C1	820520261	NNACIKCWVVAEOS-UHFFFAOYSA-N	322.315	1.460	50	20	DDGD	
O=C(NN=Cc1ccnc2ccccc12)[C@H]1CCS(=O)(=O)C1	731314583	NWZPVWRYGRHMFC-LBPRGKRZSA-N	317.370	1.120	50	20	DDGD	
OCCCSc1ccc(NCc2cccc(B(O)O)c2)cc1	585013353	RRJXONOAYOVBEH-UHFFFAOYSA-N	317.219	1.453	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H]1COc2c(cccc2OC)C1	828033232	HVLMGJXLJLPSKQ-CNELAYHGSA-N	302.330	1.559	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)/C=C/C1CCCC1	493422228	BYLLBRHQIKEXLC-CMDGGOBGSA-N	311.382	1.405	50	20	DDGD	
CC[C@@H](C)Oc1ccccc1/C=C\C(=O)NNC(=O)C(C)(C)O	493866785	DLDYNEHAMJLGLA-NLYDNYMLSA-N	320.389	1.795	50	20	DDGD	
O=[N+]([O-])c1ccc(N2CC[C@H](B(O)O)C2)c(Br)c1	585072361	AECRXHLBOIEUHA-ZETCQYMHSA-N	314.932	1.410	50	20	DDGD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cc1	585065611	ZUUNOUKOFYKTOR-OAHLLOKOSA-N	312.178	1.783	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCO[C@@H](C(C)(C)C)C2)cn1	491173749	FHXYXWIESBNLBN-SVSAJMPUSA-N	302.378	1.601	50	20	DDGD	
COC(=O)NCCNC(=O)NNc1cc(F)c(F)c(F)c1	497288333	YCQPLUVQOHLFJS-UHFFFAOYSA-N	306.244	1.086	50	20	DDGD	
COC(=O)N(C)NC(=O)C1(NC(=O)NC(C)C)CCCCC1	495764648	RDDMWYLWLNFDLG-UHFFFAOYSA-N	314.386	1.126	50	20	DDGD	
C[C@@H](OC[C@H]1CCCO1)C(=O)NNc1ccccc1C(=O)O	833535671	LMHASEBAOAYUIO-GHMZBOCLSA-N	308.334	1.412	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CCN1C	736226684	XONBGFNAZLRQBS-SNVBAGLBSA-N	313.365	1.067	50	20	DDGD	
COCCN(C)NC(=O)c1sc(N2CCCC2)nc1Cl	837623438	PMNJHFOGAIHGTI-UHFFFAOYSA-N	318.830	1.620	50	20	DDGD	
CCOC(=O)NN=Cc1c(Cl)nc(N)nc1N1CCCC1	490560510	RAWSFUCGXRWRIH-UHFFFAOYSA-N	312.761	1.392	50	20	DDGD	
OB(O)c1cccc(CNC[C@@H]2CCO[C@H]2c2ccccc2)c1	585037810	KQYGQXLJKWDZJW-WMZOPIPTSA-N	311.190	1.234	50	20	DDGD	
Cn1cc(C(=O)NN=C2CCC(O)(C(F)(F)F)CC2)cn1	735413306	KEPUNOVCSMZAMP-UHFFFAOYSA-N	304.272	1.373	50	20	DDGD	
COc1ccc([C@H](C)[C@H](C)NCc2cccc(B(O)O)c2)cc1	585025718	AWXFDKAJXRQQNE-KGLIPLIRSA-N	313.206	1.657	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)CCCc2ccccc2)n[nH]1	738474453	CNAHSYPKRIXICY-UHFFFAOYSA-N	315.377	1.571	50	20	DDGD	
CC(C)c1ccc(NNC(=O)NCCN2C(=O)CCC2=O)cc1	838473296	UXSSPDNBNKCVDO-UHFFFAOYSA-N	318.377	1.585	50	20	DDGD	
C[C@@H](C[C@@H](C)N)NC(=O)NNC(=O)C(C)(C)c1ccccc1	831212354	NYRHKRVRVPQTPO-NEPJUHHUSA-N	306.410	1.420	50	20	DDGD	
CN(NC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCC1(C)C)C(N)=O	831525874	URTLWULWLSDQOI-VIFPVBQESA-N	314.386	1.064	50	20	DDGD	
CO[C@@H]1CCN(CC(=O)NNC(=O)c2cccc(C)c2)C[C@@H]1C	831535694	XYWCCFQFNVHSHW-DZGCQCFKSA-N	319.405	1.113	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2nnnn2C)cc1	733417067	QQKOEUZOUTYHHB-WQLSENKSSA-N	313.317	1.259	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(OC)c(C)c(OC)c1	836665755	VMSSBUPOCWQMTA-UHFFFAOYSA-N	311.338	1.201	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1cccnc1)c1c[nH]c2ccccc12	731865639	PUTGFWUJXKFLAK-AWEZNQCLSA-N	310.313	1.058	50	20	DDGD	
COCCC(=NNC(=O)N1CCOCC1)c1ccc(F)cc1	734748076	JXDSXCBAGLQZFU-UHFFFAOYSA-N	309.341	1.608	50	20	DDGD	
Cn1ncc2c1CCCN(C(=O)[C@@]1(C)C[C@H]1Br)C2	910402037	OOONGMYGMWWCSY-YPMHNXCESA-N	312.211	1.868	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2cc([N+](=O)[O-])c[nH]2)c1	730593143	KYVHDTAEHULGAV-UHFFFAOYSA-N	319.346	1.863	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNc2cc(O)nc3ncccc23)O1	913992150	QDLKKHVBYGENDA-CABZTGNLSA-N	302.334	1.736	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1c(C)cc(C)nc1C	836632320	KDEQGSPWIFVVCI-LBPRGKRZSA-N	324.381	1.211	50	20	DDGD	
CC(C)[C@H](NC(=O)O)C(=O)NNC(=O)CCC1CCCCC1	736374930	MDWGCPLEZSPORE-ZDUSSCGKSA-N	313.398	1.787	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(Cl)c(Cl)[nH]1	833778476	FDDPPDDAPGWJCG-MRVPVSSYSA-N	306.149	1.652	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1ccccc1OCC(=O)O	833384215	FOHNPHVSQARUHJ-UHFFFAOYSA-N	316.317	1.038	50	20	DDGD	
CCN(C)[C@@H](C(=O)NNC(=O)[C@H]1CCCCO1)c1ccccc1	833250706	KFSGVTFRQWFIQZ-HUUCEWRRSA-N	319.405	1.396	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)c2c[nH]cc2C)c1	744852730	VMGWONSROBQXAU-UHFFFAOYSA-N	315.329	1.250	50	20	DDGD	
COC1(CNC(=O)NNc2cccc([N+](=O)[O-])c2)CCOCC1	747449095	OEIRICHRSZILFP-UHFFFAOYSA-N	324.337	1.417	50	20	DDGD	
O=C(CN1CCCC1=O)NNC(=O)[C@@H](F)CC1CCCCC1	913732819	JWRFRUAGXUNRRE-LBPRGKRZSA-N	313.373	1.065	50	20	DDGD	
CCS(=O)(=O)c1ccccc1C(=O)NNc1ncccn1	913043974	FOIYZUZYWHLIGF-UHFFFAOYSA-N	306.347	1.027	50	20	DDGD	
Cc1c(NNC(=O)[C@@H](C)Cc2cnc[nH]2)cccc1[N+](=O)[O-]	847601517	WAMQIULHYKWISG-VIFPVBQESA-N	303.322	1.948	50	20	DDGD	
COC(=O)[C@H](NNC(=O)[C@H]1CCO[C@H]1C)c1ccccc1C	843289541	UEWSXKOCEDIIFQ-FPMFFAJLSA-N	306.362	1.255	50	20	DDGD	
Cc1nonc1CC(=O)Nc1cccc(NC(=O)NN(C)C)c1	846036258	ZRCJNCMQXQEGBJ-UHFFFAOYSA-N	318.337	1.157	50	20	DDGD	
CC(C)CCOc1ccc(NC(=O)NNC(=O)CO)c(F)c1	847258165	SUWBQFOLAXMTQX-UHFFFAOYSA-N	313.329	1.396	50	20	DDGD	
O=C(C#Cc1ccccc1)NNc1nc(-c2cccnc2)no1	747386201	LGSKILJGGAXMAL-UHFFFAOYSA-N	305.297	1.626	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CSc1ccc(C#N)cc1	843649614	VYSRGVYZZPFKLY-ZWNOBZJWSA-N	319.386	1.223	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H](C)c1cccc(Br)c1	910148815	YCTIPPRYARXSEL-UWVGGRQHSA-N	315.211	1.896	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Cc2ccncc2)c1OC	747324390	BVUMFFLOHWVKLA-UHFFFAOYSA-N	315.329	1.103	50	20	DDGD	
O=C(Cn1cc2ccccc2n1)NNC(=O)c1ccccc1F	748014359	RYDNKNIBVJRFHN-UHFFFAOYSA-N	312.304	1.637	50	20	DDGD	
Cc1ccc2cc(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)[nH]c2c1	843972681	HNDTXQKDHWWBHI-ZYHUDNBSSA-N	301.346	1.662	50	20	DDGD	
COCC1CCC(NC(=O)NNc2nc3ccccn3n2)CC1	840445097	KZMWQGIJBOHEPS-UHFFFAOYSA-N	318.381	1.561	50	20	DDGD	
CCN(CC(=O)NNC(=O)C(C)(C)C)Cc1ccc(OC)cc1	744386328	BRPJUGWFSDEUCC-UHFFFAOYSA-N	321.421	1.711	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cnc(Cc2ccccc2)s1	910164980	CQXMBHJNFJCPJZ-LLVKDONJSA-N	305.403	1.691	50	20	DDGD	
COc1cc(C(C)=NNC(=O)[C@H]2CCO[C@@H]2C)cc(OC)c1O	842549230	IHUYUVCVHNPJSN-PWSUYJOCSA-N	322.361	1.675	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNc1ncc(Br)cn1	848319741	CVVNRMIRTZUFIP-MRVPVSSYSA-N	317.187	1.887	50	20	DDGD	
Cc1nc(Cc2ccccc2)sc1C(=O)NN(C)C[C@@H](C)O	910171507	WTDBUPXNJMNKRA-LLVKDONJSA-N	319.430	2.000	50	20	DDGD	
C/C=C/C(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1	748521380	OZMZGAZAKOMBLJ-NSCUHMNNSA-N	308.281	1.999	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCCOC1CCOCC1	745845319	LGLUXXWQJWOJMY-UHFFFAOYSA-N	315.414	1.339	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NCCN2CCOCC2)c(C)c1	915884826	LWJIOIFPULYMJO-UHFFFAOYSA-N	306.410	1.570	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)NNc2ccnc(N(C)C)n2)c1C	740104295	GZPBWZWPOUJSSM-UHFFFAOYSA-N	316.365	1.447	50	20	DDGD	
C[C@]1(CNC(=O)c2cccc(C#CCO)c2)C[C@H]1Br	912826952	DZOXIXFTOHAGGT-UKRRQHHQSA-N	322.202	1.934	50	20	DDGD	
O=C(NNc1cccnn1)[C@H](C[C@@H]1CCCO1)C(F)(F)F	845937633	QYFQWNZKDFIDLZ-IUCAKERBSA-N	304.272	1.667	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2ccc(Cl)cc2F)cnn1C	747330920	IQWUEAQAKOHQAO-UHFFFAOYSA-N	324.743	1.850	50	20	DDGD	
CN1CC[C@]2(CCN(S(=O)(=O)CC(C)(C)CCl)C2)C1	867299704	BWNGRNNMPGMGET-ZDUSSCGKSA-N	308.875	1.609	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)CN2CCCCCC2)cc1	744384270	LCTSQLROWRJNKJ-UHFFFAOYSA-N	300.362	1.195	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1ccc2c(c1)OC(F)(F)O2	842549704	PIEOFMGRSLOIOH-SCZZXKLOSA-N	312.272	1.883	50	20	DDGD	
CO[C@H](CC(=O)NNc1nc2ccccc2n1C)C(F)(F)F	848380297	DEZHFOGCNOHTOT-SNVBAGLBSA-N	316.283	1.984	50	20	DDGD	
COc1ccc2c(c1)CCCN2CC(=O)NNC(=O)C(C)(C)C	744383943	AEHUBXWRUHSBEM-UHFFFAOYSA-N	319.405	1.641	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=C1CCCc2cc(C(=O)O)ccc21	842549432	MESXDGWKQILFHQ-MFKMUULPSA-N	316.357	1.966	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1	749163478	CMXKBQZQWYNYHC-OAHLLOKOSA-N	318.421	1.487	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCC[C@@H]2CCCN2)c1	842003885	HGVCZVXSVWCPPB-ZDUSSCGKSA-N	320.393	1.632	50	20	DDGD	
O=C(COc1ccc(Cl)cc1)NNC(=S)NCC1CC1	849251446	JVRDSQGIXAZILI-UHFFFAOYSA-N	313.810	1.624	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1ccc(-c2cnco2)cc1	740746744	JWYCSZDORFJPTE-UHFFFAOYSA-N	321.300	1.765	50	20	DDGD	
NC[C@H](NC(=O)NNC(=O)Nc1ccc(Cl)cc1)C1CC1	841945243	BSAWDWMBHARCMT-NSHDSACASA-N	311.773	1.413	50	20	DDGD	
C[C@]1(CN[C@H](C2CC2)[C@@H]2CNCCO2)C[C@@H]1Br	857253135	HDWBBFYJEAHIIR-WUHRBBMRSA-N	303.244	1.517	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNc1ncc(Cl)cn1)c1nncn1C	856899316	BRAZHMRDENEAKW-SECBINFHSA-N	324.776	1.282	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)COc1ccc(C)c(C)c1)C1CC1	858130395	JRLJQOLQAXAJAJ-INIZCTEOSA-N	320.389	1.645	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H]2C[C@@H](C)Cc3c[nH]nc32)c1	857871807	WVBVAZCTIIBNNZ-GZMMTYOYSA-N	318.402	1.907	50	20	DDGD	
CC[C@@](COC)(NC[C@H](CBr)C1CC1)C(=O)OC	859328944	LDGNSZFQZWOGPA-AAEUAGOBSA-N	322.243	1.965	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2	856881202	PQQWNCYJPAICHW-GMTAPVOTSA-N	323.784	1.714	50	20	DDGD	
C[C@H]1CCCC[C@H]1OCC(=O)NNC(=S)NCC1CCC1	855091083	AONOXNXVUNGZTI-WCQYABFASA-N	313.467	1.877	50	20	DDGD	
O=C(NCC1(c2ccc(F)cc2)CC1)NNC(=O)c1cn[nH]c1	858146837	QAEHGAAWXHIRMG-UHFFFAOYSA-N	317.324	1.225	50	20	DDGD	
C[C@]1(CNC(=O)C[C@@H]2CCS(=O)(=O)C2)C[C@H]1Br	857402286	JDTNUPXEKQUEOS-IQJOONFLSA-N	324.240	1.101	50	20	DDGD	
O=C(NNc1ccnc(Cl)c1)[C@@H]1CCc2ncncc2C1	855462473	WYDLHULEANKXBQ-SECBINFHSA-N	303.753	1.773	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCCCNC(N)=O)c1C	855627927	IIHNAZOXXCSYRC-UHFFFAOYSA-N	322.365	1.063	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H]2CC23CCC3)c1	759990069	IBPZAVVCQPOAOF-CYBMUJFWSA-N	316.357	1.489	50	20	DDGD	
COCCN1[C@H]2CC[C@H]1CC(=NNC(=O)OCC(F)(F)F)C2	853428286	ASQGHHUNEMROSH-QWRGUYRKSA-N	323.315	1.904	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CCC[C@H](C#N)C2)cc(C#N)n1C	928229057	MKLKDZYHOMBQPZ-WXYNBALXSA-N	307.357	1.874	50	20	DDGD	
Cc1cc(O)cc2c1C(=O)C(=NNC(=O)NCc1ccco1)O2	920828652	DSKUZBNUCHTEGT-UHFFFAOYSA-N	315.285	1.682	50	20	DDGD	
CNC[C@H](C)NC(=O)NNc1ccc(F)cc1Br	851682625	YAKCEOXFKNICJK-ZETCQYMHSA-N	319.178	1.822	50	20	DDGD	
O=C(c1cccc(OS(=O)(=O)CCl)c1)N1CCCC1	851837010	CJTOVDSTKSLGHJ-UHFFFAOYSA-N	303.767	1.828	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1ccnn1CC1CC1	853287211	SNIYPSMHXBLQEI-UHFFFAOYSA-N	304.379	1.404	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2cccc(C(=O)O)c2)CN1C1CC1	853425417	DWPCYTCVJWQLIR-SNVBAGLBSA-N	301.346	1.727	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)OC	928306822	FAYQHBFGEMBDPU-GAJOTYCWSA-N	320.320	1.470	50	20	DDGD	
O=C(NNC(=O)[C@H]1Cc2ccccc2O1)OCC(F)(F)F	856024950	KYGUKRUUIRGRMO-SECBINFHSA-N	304.224	1.310	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C(C)C1CCOCC1	755880330	RJNHGQLDLZJVKB-UHFFFAOYSA-N	306.362	1.993	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCCc1nc(C(C)(C)C)no1	854925940	QLQSPNGCZMXODA-UHFFFAOYSA-N	313.427	1.157	50	20	DDGD	
O=C(NNC(=O)c1ccn(C2CCCC2)n1)c1cccc(F)n1	856423362	SHBQUPVUDYHCJJ-UHFFFAOYSA-N	317.324	1.607	50	20	DDGD	
Cc1csc([C@@H](C)C(=O)NNC(=O)OCC(F)(F)F)n1	856019588	YAXBNIVOHRVJOG-LURJTMIESA-N	311.285	1.875	50	20	DDGD	
CCCn1cc(C(=O)NNc2ccc(C#N)c(Cl)c2)nn1	753322332	GJXLHQLLCUVPRX-UHFFFAOYSA-N	304.741	1.970	50	20	DDGD	
C[C@H](CO)CCCNC(=O)NC[C@]1(C)C[C@@H]1Br	856881428	RMTIZQQBCRYSPJ-NHCYSSNCSA-N	307.232	1.868	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2cnccn2)CN1Cc1ccccc1	757586547	NTZJDTYELJGOFI-CYBMUJFWSA-N	309.373	1.857	50	20	DDGD	
COC[C@H](N[C@H](C)C(=O)NNC(=O)CC(C)C)c1ccco1	754339177	IQMAJWCLRSHJDU-NEPJUHHUSA-N	311.382	1.139	50	20	DDGD	
CN(C)C(=O)c1ccc(C=NNC(=O)c2ccc(C#N)cc2)[nH]1	752164399	GUWXZDQKMIBVAT-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc2cccnc2n1)C1CC1	855095471	MIYAGXYWEXVEBT-VIFPVBQESA-N	315.402	1.537	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Nc1cc(C)n(C)n1	757752435	DPOKFDDHZUCJIK-UHFFFAOYSA-N	303.322	1.204	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NN=Cc2cn(C)nn2)cc1	755564216	RHEWODWQFRICQI-LLVKDONJSA-N	317.349	1.131	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNC(=O)NCc2ccco2)C1(C)C	759589716	GNVGSVRNVIYEES-YPMHNXCESA-N	321.377	1.751	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cccc(OC(F)(F)F)c1	755616126	PZDDAJJUVHGQER-UHFFFAOYSA-N	321.255	1.774	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)NNC(=S)NCC2CCC2)c1C	855092907	DLGVIRSIVDBSBR-UHFFFAOYSA-N	322.434	1.743	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NN=Cc2cnnn2C)cc1	751129721	LOMPFPOUGJOWDE-LLVKDONJSA-N	317.349	1.131	50	20	DDGD	
CCNC(=O)N(C)N=Cc1ccccc1N1CCO[C@H](C)C1	769591322	GMQYOXCEGOTXDO-CYBMUJFWSA-N	304.394	1.907	50	20	DDGD	
CC(=NNC(=O)c1cn[nH]c1)c1ccc(N2CCCC2=O)cc1	863155908	DJVQIORVQFUWKZ-UHFFFAOYSA-N	311.345	1.691	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1cnc2nccn2c1	868339332	WCQVZKSTGKKJTN-UHFFFAOYSA-N	309.333	1.544	50	20	DDGD	
CC(C)(C)Cc1csc(NC(=O)c2cccc(B(O)O)c2)n1	863877644	BYZAVGUPRARQAX-UHFFFAOYSA-N	318.207	1.664	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)/C=C\c1cccnc1	766671027	YOPFBNYTWMJKHC-HJWRWDBZSA-N	317.370	1.642	50	20	DDGD	
Cn1cnnc1COCC(=O)NNc1cccc(F)c1Cl	862507342	APRDHCHATWLZNX-UHFFFAOYSA-N	313.720	1.268	50	20	DDGD	
CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NN=c1cc[nH]c(C)c1	862509725	SKTRLOIUWANQJQ-QGZVFWFLSA-N	324.384	1.228	50	20	DDGD	
CCC(=O)c1ccc(C(=O)NNC(=O)Cc2cccnc2)cc1	760514431	DXBRVSHSZILBNM-UHFFFAOYSA-N	311.341	1.678	50	20	DDGD	
CC(C)(C)c1nnc(NC(=O)CN2CC=C(C#N)CC2)s1	767120898	XOXYLNRBTZLHPG-UHFFFAOYSA-N	305.407	1.930	50	20	DDGD	
COC(=O)c1c(C)[nH]c(C(=O)NN[C@@H](C)C(F)(F)F)c1C	862306587	MHMYZEIOXYYVKV-ZETCQYMHSA-N	307.272	1.603	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc(-c2nnnn2C)cc1	861458216	VQTMNKBJGFADKD-UHFFFAOYSA-N	317.353	1.076	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)[C@H]2CCSC2)cc1	762179653	VXZVUHJDTAPATJ-JTQLQIEISA-N	324.475	1.823	50	20	DDGD	
CCCCN(CC)C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1118764130	KXWLLHDVBNEKKS-GXFFZTMASA-N	319.243	1.925	50	20	DDGD	
CS[C@@H](C)CC(=O)OCC(=O)NNC(=O)c1cccs1	766921317	SKQFLFKDVORAQH-QMMMGPOBSA-N	316.404	1.194	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCCc1ccncc1	762675908	ZOOFIGOUMYQUIZ-UHFFFAOYSA-N	316.336	1.336	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H]2CC23CCCC3)nc1C	778421402	LRKQBMYYJCCHNI-LBPRGKRZSA-N	318.377	1.985	50	20	DDGD	
CN1CCc2cc(C(=O)NNC(=O)Cc3cccnc3)ccc21	778726089	ZMOREDRVHVIMPW-UHFFFAOYSA-N	310.357	1.078	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@@H]2CCCc3c2cnn3C)n1	875102488	ZEXOVLBSWYQGJK-GFCCVEGCSA-N	300.366	1.827	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(C)c(NC(C)=O)c1C	878379443	LQZXCCADANAHNO-UHFFFAOYSA-N	308.382	1.877	50	20	DDGD	
CC[C@@]1(C(=O)NNC(=S)Nc2cccc(C)c2)CCNC1=O	873776446	IZAGLYGHOXFOSP-OAHLLOKOSA-N	320.418	1.229	50	20	DDGD	
CCc1nc(C(=O)NNc2ccccn2)nn1-c1ccccc1	777471688	YITYKXDKNHYFFU-UHFFFAOYSA-N	308.345	1.982	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(C)(C(=O)NNc2ccc(F)cn2)C1	874647310	RHEWBAFQMZMGBA-UHFFFAOYSA-N	324.356	1.921	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)/C=C\c1ccco1	771889547	LSOWFQWCGQLFIF-ZADCQDASSA-N	308.334	1.418	50	20	DDGD	
O=C(NN=Cc1nc2c(s1)CCC2)c1n[nH]c2c1CCCC2	1117742252	NPDFDDKNWLEPJC-UHFFFAOYSA-N	315.402	1.998	50	20	DDGD	
C=C(CBr)CN1CCC(N2CCN(C)CC2)CC1	879597127	VPLITQOFSNNKLD-UHFFFAOYSA-N	316.287	1.649	50	20	DDGD	
CS(=O)(=O)c1ccc([C@H]2CN(C(=O)CCl)CCO2)cc1	1118979355	SZWJZHBMQWCKEV-GFCCVEGCSA-N	317.794	1.229	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)COc2ccccc2O)o1	772692523	SSNHLVWMLONNQC-UHFFFAOYSA-N	316.317	1.897	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCc2ccccc2C1(C)C	773761357	PEZKONCWBBBYMM-UHFFFAOYSA-N	317.433	1.973	50	20	DDGD	
CC1(c2nccc(NC(=O)NNC(=O)C3CCCC3)n2)CC1	888041219	ZXRXXCYPOOMIJD-UHFFFAOYSA-N	303.366	1.871	50	20	DDGD	
CCO[C@@H]1COCC[C@@H]1NC(=O)NNc1c(C)cccc1F	771352125	KHLYKYIVRKBLMT-QWHCGFSZSA-N	311.357	1.954	50	20	DDGD	
CCNC(=O)NNC(=O)c1c[nH]nc1-c1ccc(Cl)s1	778590971	XCOFWROZXFXCQI-UHFFFAOYSA-N	313.770	1.756	50	20	DDGD	
C[C@@H](Cc1ccccc1F)NC(=O)NNC(=O)C1CCOCC1	883182329	ZLVDPWDJKKFDET-NSHDSACASA-N	323.368	1.514	50	20	DDGD	
Cc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)C1CCOCC1	883072081	YGTBJXNQGFZCBI-LSDHHAIUSA-N	302.374	1.673	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(OC2CCCC2)nc1	887146980	SKTQXYPAXWCEPG-UHFFFAOYSA-N	315.373	1.968	50	20	DDGD	
C[C@H]1CCC[C@H](C(=O)NNc2ccccc2S(N)(=O)=O)C1	788228642	NZTDYBDXHINYCD-QWRGUYRKSA-N	311.407	1.603	50	20	DDGD	
O=C(NC1CC1)c1cc(F)c(NNC(=O)C(F)F)c(F)c1	787465278	IQEDZYXTCYQYSU-UHFFFAOYSA-N	305.231	1.565	50	20	DDGD	
C#Cc1cncc(C(=O)NNC(=O)COc2ccc(F)cc2)c1	785691666	VWCNHPYXFWXUIJ-UHFFFAOYSA-N	313.288	1.042	50	20	DDGD	
CC(C)[C@@H]1OCCC[C@H]1CNS(=O)(=O)CBr	782468971	RDNPBLUCDRPICM-UWVGGRQHSA-N	314.245	1.709	50	20	DDGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1CC12CCOCC2	788602932	VVNQSNJDMGUGJG-JTQLQIEISA-N	309.297	1.994	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(Cl)c2c(c1)OCO2	887139443	PIHWOXZVNIIMIQ-UHFFFAOYSA-N	308.721	1.633	50	20	DDGD	
CN(C)[C@@H]1CCC[C@H](NC(=O)NNc2ncncc2Cl)C1	781009877	PRDVLZBFLMIYDV-VHSXEESVSA-N	312.805	1.629	50	20	DDGD	
O=C(NNC(=O)c1cnc(O)c2ccccc12)NC1CCCC1	786845785	YVGDAJQGDYKGRA-UHFFFAOYSA-N	314.345	1.827	50	20	DDGD	
CC[C@@H](NC(=O)NNc1ccc(C#N)cn1)C1CCOCC1	888451172	NWKHNZBIEMHMBN-CYBMUJFWSA-N	303.366	1.785	50	20	DDGD	
O=C(Cc1cccc(N2CCCC2=O)c1)NNc1ccccn1	787496372	QBOYMWJHXJSIRN-UHFFFAOYSA-N	310.357	1.894	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@H]2CO[C@H](C)C2)cc1OC	784147311	ZNEQPDIXXASCAO-ZYHUDNBSSA-N	322.361	1.280	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1c(CC)cccc1CC	782477254	LYXUESIGZCSNOR-UHFFFAOYSA-N	313.423	1.666	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2cccc(F)c2Cl)C(=O)O1	896370765	JSOREQSFTDJCMT-RCOVLWMOSA-N	301.705	1.809	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2ccc(F)cc2)cc1	783039845	VMEXCRFFKJAQQP-UHFFFAOYSA-N	303.293	1.916	50	20	DDGD	
COc1ncc(C)cc1NC(=O)C(=O)NNc1ccnc(F)c1	784849015	QBTSQFDRBMTTAB-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
C[C@@H]1CC[C@@H](NC(=O)NNC(=O)c2ccc3c(c2)OCCO3)C1	780800450	RJDJUUKDAVSVCD-ZYHUDNBSSA-N	319.361	1.590	50	20	DDGD	
Cc1cc2cc[nH]c2cc1NC(=O)C(=O)NNC(=O)C(C)(C)C	782118734	VWERYLRJTIOMKO-UHFFFAOYSA-N	316.361	1.608	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCc1nnnn1Cc1ccccc1	786673647	IZFJMCXDHSBYEZ-ZSOIEALJSA-N	309.329	1.625	50	20	DDGD	
C=CC(=O)N(CC)CC(=O)NNC(=O)c1ccc(CC)cc1	899947302	RTQMJEXLSZMKTP-UHFFFAOYSA-N	303.362	1.045	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1cc2[nH]ccc2cc1C	784915817	OYGQRSGMDIQRHT-UHFFFAOYSA-N	317.349	1.107	50	20	DDGD	
CCC[C@H](CCCS(C)(=O)=O)C(=O)NNc1ncccn1	789890754	LHOCJWFKJTVTPF-LLVKDONJSA-N	314.411	1.161	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cnnn1-c1cccc(F)c1	790060237	HTYDRBQRONRVRM-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNc2nc3ccccn3n2)c1	791251656	ANSDWBDQKRIQNN-UHFFFAOYSA-N	311.345	1.868	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cccc2c[nH]nc12	790062940	DFDQAWMPFGMRMR-UHFFFAOYSA-N	320.349	1.113	50	20	DDGD	
COc1coc(C(=O)NNc2nc3ccccc3[nH]2)cc1=O	799101090	GBJJRMZFOQUSFZ-UHFFFAOYSA-N	300.274	1.282	50	20	DDGD	
CCOC(=O)c1nn(C)cc1C=NNC(=O)c1cccc(C)n1	794571539	DNGKKCSZHWTUQS-UHFFFAOYSA-N	315.333	1.064	50	20	DDGD	
COCCCN1CCC(NC(=O)NCCSSC)CC1	790731741	NQHXUTBTWFRXBC-UHFFFAOYSA-N	321.512	1.798	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnn(CC(C)C)c1CC	798305396	ZLMGIIWUDMCQGT-UHFFFAOYSA-N	309.439	1.396	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)CC2(OC)CCC2)c1	790117450	JNJLDHZVASYZJI-UHFFFAOYSA-N	322.361	1.424	50	20	DDGD	
CSSCCNC(=O)NCCCN1CCCCC1=O	790712556	REZUJGSLQOZBSQ-UHFFFAOYSA-N	305.469	1.699	50	20	DDGD	
COC/C=C\C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	791296967	PFWOEBCBXHDRJM-OYVUYXNMSA-N	306.362	1.421	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@H]1CCCN1C1CCCC1	798314976	JJTSKODYMHLYPU-SNVBAGLBSA-N	322.331	1.286	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1)c1cc(C)on1	790287315	LMCDYPLMAXRMHY-RAIGVLPGSA-N	322.409	1.569	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CNc2ccccc2Cl)n1	794077748	REQDEGXTHUVFQC-UHFFFAOYSA-N	318.764	1.917	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc(C)c(C#N)c1	799423618	BPPSNYDMNOUQMT-UHFFFAOYSA-N	308.432	1.339	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(C#N)c1)c1nnnn1C1CC1	790714015	GAVVMJICGMIGQK-VIFPVBQESA-N	312.337	1.267	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccc(Oc2ccccc2)cn1	799725342	DLGNQOWLUMFYNV-UHFFFAOYSA-N	315.329	1.406	50	20	DDGD	
O=C(O)Cn1cc(C=NNC(=O)c2cnccn2)c2ccccc21	799874276	DTLQIQPDLJXLOU-UHFFFAOYSA-N	323.312	1.280	50	20	DDGD	
O=C(NC[C@H]1CCS(=O)(=O)C1)c1cccc(CCl)c1	38083251	UUDIVSKIFARBCO-LLVKDONJSA-N	301.795	1.590	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)c1ccc(OC)cc1)C1CC1	1319496708	RRVLAAOUPULHGI-CYBMUJFWSA-N	307.350	1.064	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NNc1cncc(Br)c1	1319762680	XKBWCTCQDDIGHO-FPLPWBNLSA-N	311.139	1.731	50	20	DDGD	
Cc1nnc(NNC(=O)c2nc(C(C)C)ncc2Cl)nc1O	1318039556	FNCVVVYMIZSECI-UHFFFAOYSA-N	323.744	1.209	50	20	DDGD	
CC(=NNC(=O)CCN1CCC(C)CC1)c1ccnc(O)c1	1324899591	BGGKHFIAQTUGKD-UHFFFAOYSA-N	304.394	1.749	50	20	DDGD	
Nc1cnnc(NNC(=O)C2C[C@@H]3CCC[C@H](C2)C3N)c1Cl	1332452638	PJLUZLUXHRXTFM-AYBYRNOTSA-N	324.816	1.309	50	20	DDGD	
CS(=O)(=O)CC1(CNC(=O)c2cccc(CCl)c2)CC1	1335841070	ZSYCAGBLQMILKB-UHFFFAOYSA-N	315.822	1.980	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H]1CCC[C@@H]1OC	1338996408	QQOGSPMJZQFMRC-SKDRFNHKSA-N	310.325	1.871	50	20	DDGD	
CC(C)c1ccc(NNC(=O)CN2CCC(CO)CC2)cc1	1337303285	JNFQVGWODMAHIR-UHFFFAOYSA-N	305.422	1.957	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccc(S(=O)(=O)CC)c1	1337058007	SDBWBWXTLJTZCX-UHFFFAOYSA-N	315.351	1.263	50	20	DDGD	
Cc1nn(CC(F)(F)F)cc1C(=O)NNc1ncc(F)cn1	1336052324	WLYZVCBKYFDHHV-UHFFFAOYSA-N	318.234	1.440	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)C2CCOCC2)c(Cl)n1	1520298882	FPCJIPGQNGKXAM-UHFFFAOYSA-N	312.757	1.623	50	20	DDGD	
CC(CCC(=O)O)=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1	1609737620	DQLQOJHWLJCRBN-WCFLWFBJSA-N	313.398	1.089	50	20	DDGD	
C[C@@]1(C(=O)NNc2ccc(F)c(C(=O)O)c2)C[C@H]2CC[C@H]1O2	1609810928	URRGEHSQPPSRBU-DDHOLCJHSA-N	308.309	1.925	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1nc(C(C)(C)C(=O)O)cs1	1605619271	VMUCZVRYEXGASB-VURMDHGXSA-N	309.347	1.888	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H]2Br)C[C@H]1CC(=O)O	1607429781	BNYIRLCAVNEUFN-KZFFXBSXSA-N	304.184	1.729	50	20	DDGD	
CC[C@H](C(=O)O)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	1609886746	TVSBIMGGXMRSFU-ZETCQYMHSA-N	301.686	1.802	50	20	DDGD	
Cc1cccc(CNC(=O)NNc2cccc(C(=O)O)c2)n1	1600531587	HQKVRQGEINPCNJ-UHFFFAOYSA-N	300.318	1.915	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCC(C)C)cc1-c1nn[nH]n1	1605821311	JFYUVUNGBIXACC-UHFFFAOYSA-N	316.365	1.372	50	20	DDGD	
Cn1cc(C#N)c(NC(=O)NNc2ccc(F)c(C(=O)O)c2)n1	1600927408	IRCYNBPRLDBBNB-UHFFFAOYSA-N	318.268	1.278	50	20	DDGD	
C[C@@H](CCN(C)C)NC(=O)NNc1ccc(F)c(C(=O)O)c1	1609739296	KGIXKPQTSSHUFQ-VIFPVBQESA-N	312.345	1.490	50	20	DDGD	
CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CC1(F)F	1609061052	YWGDCSURAWZKGV-SNVBAGLBSA-N	306.276	1.628	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNc1cccc(F)c1C(=O)O	1600768700	RDOVCFHTFHHYFT-UHFFFAOYSA-N	306.297	1.631	50	20	DDGD	
CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)[C@H]1CC1(F)F	1609060842	IKJKZDOQIPLGJH-SNVBAGLBSA-N	306.276	1.628	50	20	DDGD	
O=C(O)CCC[C@@H]1CCCC(=NNC(=O)C(=O)N2CCCC2)C1	1601980329	KPKFRQFTDPQGSZ-LBPRGKRZSA-N	323.393	1.526	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1cccc(O)c1	1549312297	BGUFHSNOGCIRJK-DZGCQCFKSA-N	303.362	1.096	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cccc1C(=O)O	1610423439	HVMOWWGLFXAGIZ-GXSJLCMTSA-N	321.333	1.271	50	20	DDGD	
C[C@@H]1CNC[C@H]1CC(=O)NN=c1sc2ccccc2n1C	1579450894	KRAXTWXLCSERDX-GHMZBOCLSA-N	304.419	1.417	50	20	DDGD	
CC(C)n1cccc1C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1589783258	DMUQHOAHPOJAOO-UHFFFAOYSA-N	312.337	1.401	50	20	DDGD	
O=C(C1CCOCC1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843363169	SBOKZFNRIOFBJT-NSHDSACASA-N	318.776	1.151	50	20	DDGD	
CNc1ncccc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1591225773	YAZKPVMBHXOCDA-UHFFFAOYSA-N	310.321	1.060	50	20	DDGD	
Cn1nc(C2CC2)nc1/C(C#N)=C\c1ccc(-c2nn[nH]n2)cc1	1592596694	YROBZYGBDCRLKI-JYRVWZFOSA-N	318.344	1.937	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2ccc(C(=O)O)cc2F)CCCO1	1594020679	WAEXODQOUIQZKW-AWEZNQCLSA-N	311.313	1.719	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)Nc1ccnc(C(=O)O)c1	1594781475	AKPOMOYYFAPXHQ-UHFFFAOYSA-N	307.697	1.977	50	20	DDGD	
COc1cccc(CCC(=O)NNc2ccc(C(=O)O)cn2)c1	1599670913	SEEDXBQWRDBEFT-UHFFFAOYSA-N	315.329	1.864	50	20	DDGD	
CCOc1ccc(NNC(=O)C2(C(=O)O)CCOCC2)cc1	1592705121	LHXZMPJTRBPPNK-UHFFFAOYSA-N	308.334	1.410	50	20	DDGD	
O=C(O)COc1ccc(C=NNC(=O)c2cccc(F)n2)cc1	1776093823	MXAREYNXLUDSRB-UHFFFAOYSA-N	317.276	1.448	50	20	DDGD	
COc1cc(C=NNC(=O)NCC(F)(F)F)ccc1C(=O)O	1776036368	DMYMZQQVFVAZJR-UHFFFAOYSA-N	319.239	1.589	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2ccc(/C=C\C(=O)O)o2)n[nH]1	1776028633	RMYDOLRXECBJKI-MZCWLDHNSA-N	302.290	1.102	50	20	DDGD	
CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2	1795531758	YPYOGFYGHLLQPY-USZNOCQGSA-N	302.802	1.024	50	20	DDGD	
CCC[C@H]1CN(C(=O)NNC(=O)c2ccc(C#N)cc2)CCO1	160786645	AABQFGKSGAVPFG-AWEZNQCLSA-N	316.361	1.414	50	20	DDGD	
Cc1cccc(N(C)CC(=O)NNC(=O)c2cccc(C#N)c2)c1	165366026	AKCMYBUTDBNIHT-UHFFFAOYSA-N	322.368	1.764	50	20	DDGD	
CS[C@H](C)CC(=O)NNC(=O)c1c(C)nc2ccccn12	156198755	PKGVLPKEOUZOHQ-SECBINFHSA-N	306.391	1.545	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)CC1(O)CCCC1	157798903	XFDDGOLAJPEKHY-UHFFFAOYSA-N	320.389	1.470	50	20	DDGD	
COC(=O)CSCCC(=O)NNc1ccc(F)c(F)c1F	156935714	XMBPLDGWXNENEV-UHFFFAOYSA-N	322.308	1.843	50	20	DDGD	
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NNC(=O)c2ccc[nH]2)C1	159159207	JKKNSLXBGZKCKZ-NWDGAFQWSA-N	320.393	1.060	50	20	DDGD	
Cc1noc(C)c1CCC(=O)NNC(=O)Cc1ccc(F)cc1	7524376	BNDXSXFGXRIAPZ-UHFFFAOYSA-N	319.336	1.753	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1CCc2sccc2C1	103518707	FLQMNRCCTAVSMT-UHFFFAOYSA-N	316.386	1.485	50	20	DDGD	
CO[C@]1(C)C[C@@H](NC(=O)NNc2ccc(Cl)nn2)C1(C)C	173723645	RFUSYHKOHHSINZ-AMIZOPFISA-N	313.789	1.960	50	20	DDGD	
N#C/C(=C\c1cccc2c1OCCO2)C(=O)NC[C@H]1CCCO1	54801958	CLSMIPRISZPIDC-KADHNRKRSA-N	314.341	1.660	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnn(-c2ccccn2)c1C(C)C	65189824	IOVVOABWTNWJQL-UHFFFAOYSA-N	316.365	1.355	50	20	DDGD	
CC/C=C(/C)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1	58395750	IGBHRPFOEOJMSR-POHAHGRESA-N	310.375	1.207	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(C(C)(C)C)n[nH]2)n1	174495399	HJYZLQUUMYDLON-UHFFFAOYSA-N	304.354	1.571	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCCO1)C(=O)NNC(=O)CC(C)(C)C	171482628	HUWKXGISLODXBV-NEPJUHHUSA-N	300.399	1.544	50	20	DDGD	
CN(C)c1cc(C(=O)NNC(=O)CC2CCCCC2)ccn1	66571040	BLRCMEOIXOXRBZ-UHFFFAOYSA-N	304.394	1.879	50	20	DDGD	
Cc1cc2c(cc1C)O[C@@H](C(=O)NNC(=O)c1ccncc1)C2	173005774	VKASMOKXTCNHNS-OAHLLOKOSA-N	311.341	1.463	50	20	DDGD	
N#CC1=CCN(C(=O)c2c(Br)nc3n2CCC3)CC1	1362231818	LXMICSHAYRSENS-UHFFFAOYSA-N	321.178	1.888	50	20	DDGD	
CCC(=O)N1CCC(=NNC(=O)NCCc2cccs2)CC1	64306794	FQMJEHCSPKLDOQ-UHFFFAOYSA-N	322.434	1.978	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@H]1Cc2ccccc2C(=O)O1	28716880	NUPPDXPLKGGSQZ-LLVKDONJSA-N	321.402	1.062	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)C1[C@H]2CCC[C@H]12	177601342	MHYCAKFEVXXDIL-OUJBWJOFSA-N	302.330	1.020	50	20	DDGD	
COc1ccccc1/C(C)=C/C(=O)NNC(=O)c1cccnc1	66590546	KPCIPMISRLKUGD-ZRDIBKRKSA-N	311.341	1.955	50	20	DDGD	
CC(C)(C)n1nc(C(=O)NNC(=O)NC2CC2)cc1C1CC1	64900381	ISWRWMUADYPFHS-UHFFFAOYSA-N	305.382	1.622	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)Cc1cccc(F)c1	111192810	HCMMAQFWHJCNEI-GFCCVEGCSA-N	309.385	1.840	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)Nc1cccnc1	60971566	OHHHEHWYGVSQPP-UHFFFAOYSA-N	300.318	1.703	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)c2cccs2)C[C@@H](C)O1	68194965	BKEIKXISXIRRAE-PHIMTYICSA-N	311.407	1.008	50	20	DDGD	
CCOc1ccc(CC(=O)NNC(=O)c2ccc(C#N)cc2)cc1	61474581	AVMCATAELJNSHI-UHFFFAOYSA-N	323.352	1.961	50	20	DDGD	
C[C@H](CCNC(=O)NNC(=O)c1cnn(C)c1)CC(C)(C)C	188309525	XMXALTGYSRBQLK-LLVKDONJSA-N	309.414	1.827	50	20	DDGD	
O=C(CCCNC(=O)NC1CCCCC1)NNc1ccccn1	181237164	JXDVOBUVFVWIRJ-UHFFFAOYSA-N	319.409	1.937	50	20	DDGD	
O=C(NNc1ncccn1)C(=O)Nc1cc(Cl)ccc1F	120047250	KSNHYOATCXYYJH-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
CN(C)N(C(=O)C1=CCCCCC1)[C@H]1CCS(=O)(=O)C1	120438806	FMZTYQDTJYMTEN-ZDUSSCGKSA-N	300.424	1.369	50	20	DDGD	
C[C@H](NC(=O)NNc1cccnn1)[C@H]1CCCN(C2CCC2)C1	182956156	GUECJZHHDPZGPJ-STQMWFEESA-N	318.425	1.756	50	20	DDGD	
Cc1ccc(NNC(=O)CNC(=O)Cc2cccc(F)c2)cc1	120867882	HZGAOTLOQBLJCK-UHFFFAOYSA-N	315.348	1.936	50	20	DDGD	
O=C(CC(=O)NNc1cccc([N+](=O)[O-])c1)NCC(F)(F)F	182143576	IQCBHWRCSRWYIQ-UHFFFAOYSA-N	320.227	1.107	50	20	DDGD	
O=C(CO)NNC(=O)c1ccccc1COc1ccccc1	180948071	OUCTWXZIIUSGRR-UHFFFAOYSA-N	300.314	1.019	50	20	DDGD	
C[C@]1(NNC(=O)Nc2cccc(F)c2)CCS(=O)(=O)C1	131681064	OKVOXDBCNJJSOQ-LBPRGKRZSA-N	301.343	1.029	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2c(C)nn(C)c2C)c(O)c1	80387969	QKINDRINTHJGDQ-UHFFFAOYSA-N	316.361	1.055	50	20	DDGD	
O=C(CCc1cccc([N+](=O)[O-])c1)NNC(=O)c1cccnc1	86964582	VMKQZHREIWSQTO-UHFFFAOYSA-N	314.301	1.384	50	20	DDGD	
CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NNc1ncccn1	131727124	XLIUYZXJWGSAOJ-NSHDSACASA-N	305.382	1.347	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cn(C(C)(C)C)nn2)c(O)c1	190631404	RJEMZVBDQHNUAI-UHFFFAOYSA-N	317.349	1.122	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@H]1CCCc2ccccc21	81025867	YBKSUNGPXPHXSU-INIZCTEOSA-N	309.369	1.892	50	20	DDGD	
COCCCNC(=O)NNC(=O)CSCc1cccs1	49167496	PMBJYCCEMUUIJJ-UHFFFAOYSA-N	317.436	1.348	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CCc1nc(-c2ccco2)no1	80088487	RDTRTJUJWZSGRP-UHFFFAOYSA-N	306.322	1.456	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@@H](C)NC(=O)c2cccs2)c1	88424290	KBTZEOJRKOBXTQ-SNVBAGLBSA-N	304.375	1.713	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H]2COCCN2C2CCCC2)cc1	193635098	NSHIFALEXWQQNE-MRXNPFEDSA-N	314.389	1.645	50	20	DDGD	
CC(C)Oc1ccccc1CC(=O)NNC(=O)c1ccncc1	195330303	XTSFVMPSGSXBHW-UHFFFAOYSA-N	313.357	1.873	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)C1(O)CCCCC1	86585789	HBFBJYNCNZETOK-UHFFFAOYSA-N	302.334	1.875	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1ccc(C(=O)N(C)C)cc1	255882198	INKPVZWOQCNSLD-KAMYIIQDSA-N	301.346	1.449	50	20	DDGD	
CCCC1(CNC(=O)NNC(=O)COc2ccccc2O)CC1	268491163	VHMUMFXHTGABSQ-UHFFFAOYSA-N	321.377	1.682	50	20	DDGD	
CCCN(CCC)C(=O)CCC(=O)NNc1nccc(OC)n1	264187284	PJNXELMDEPICKN-UHFFFAOYSA-N	323.397	1.357	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)NOCC(C)C)c1C	269690814	GQXAQIMJRKHTDI-ZDUSSCGKSA-N	323.393	1.989	50	20	DDGD	
O=S(=O)(CBr)N1CCC[C@@H]1CN1CCCC1	363701785	DDJOWYODBPZWOH-SNVBAGLBSA-N	311.245	1.229	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@@H]1CCCN1c1ccccc1	365817807	RERNGNIJGNITRO-HNNXBMFYSA-N	312.373	1.455	50	20	DDGD	
Cn1cc([C@@H]2C[C@H]2C(=O)NNC(=O)c2cccc(Cl)c2)cn1	368804901	JURMSLCWGVXWJF-QWHCGFSZSA-N	318.764	1.638	50	20	DDGD	
NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CCI	364620494	TVWGKNKBZZGIRJ-HLTSFMKQSA-N	308.163	1.007	50	20	DDGD	
O=C(NNc1ccc(F)cc1)[C@H]1CC12CCS(=O)(=O)CC2	274909893	TWVNDRHJSBJRKQ-GFCCVEGCSA-N	312.366	1.484	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)COCc2ccccc2)CCO1	271322570	YLTQBVZMWMOXFT-JSGCOSHPSA-N	321.377	1.101	50	20	DDGD	
Cc1cccnc1NNC(=O)C1CCN(c2cnccn2)CC1	276677262	DXOPEJYURVMDKR-UHFFFAOYSA-N	312.377	1.540	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C#N)cc1Cl	274046535	HNNZLMWOLXPSJY-MRVPVSSYSA-N	322.752	1.344	50	20	DDGD	
CNC(=O)c1ccc(OC)c(NC(=O)NNC(=O)C2CCC2)c1	272801241	HSVITBFLKHFCRI-UHFFFAOYSA-N	320.349	1.008	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2CCc3[nH]ncc3C2)cc1	270128229	MUODPUROJBRKDZ-CYBMUJFWSA-N	312.373	1.538	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2cc(C)sn2)c(C)c1	278604364	FCKTWOHATBZTEF-UHFFFAOYSA-N	318.402	1.941	50	20	DDGD	
CCOc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)CC)ccc1C	274092734	UPNHYCVMMDTIOZ-SNVBAGLBSA-N	321.377	1.526	50	20	DDGD	
CCCC(=O)N1CSC[C@@H]1C(=O)NNc1ncccc1F	285827877	CGROJHNVXYXHJK-SNVBAGLBSA-N	312.370	1.365	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cccnc1Cl	288126431	YWISJSQFZGWQHO-UHFFFAOYSA-N	315.757	1.285	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1NC(=O)NNc1ccc(-n2ccnc2)nn1	286540484	VPTKZTVXINFRLJ-NEPJUHHUSA-N	315.381	1.867	50	20	DDGD	
Cn1c(C(=O)NNC(=O)CC(C)(C)C)cc2ccccc2c1=O	286443935	IIZSPPIEGUWYAS-UHFFFAOYSA-N	315.373	1.736	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1ccc2c(O)nccc2c1	285667119	KKXYOWOKPXXSNL-NSHDSACASA-N	319.361	1.825	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CCc3cnn(C)c3C2)cc1	281143902	AZDAOBUPGFGMLG-NSHDSACASA-N	300.362	1.677	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(C(C)(C)C#N)cc1	280668622	BEDMHBHXBLSWSC-UHFFFAOYSA-N	302.403	1.783	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](OC)c2cnn(C)c2)c1	282221918	GWPCXJSEALWBCU-ZDUSSCGKSA-N	318.333	1.038	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)c1cccnc1F	806795847	OHRBMYDTUAOWNR-UHFFFAOYSA-N	312.304	1.637	50	20	DDGD	
COCC(C)(C)CNC(=O)NNC(=O)COc1cccc(C)c1	291752401	KLRHUJQPOPWKFI-UHFFFAOYSA-N	323.393	1.377	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@@H]1CCCC12OCCO2	806825360	XVCSQELXQPYYFZ-LBPRGKRZSA-N	322.336	1.059	50	20	DDGD	
CN(C)N(C(=O)/C=C/c1ccsc1)[C@@H]1CCS(=O)(=O)C1	298115833	YXRWWJYJKLXGIY-AAOUONPWSA-N	314.432	1.254	50	20	DDGD	
O=C(NNc1ccncn1)[C@H]1CCN(c2ccccc2F)C1	295375425	DVUYJSBQHWKPCT-NSHDSACASA-N	301.325	1.585	50	20	DDGD	
O=C(NNc1ncccc1F)c1cc2c(c([N+](=O)[O-])c1)OCO2	804212420	TWZAJXRCHRLIBX-UHFFFAOYSA-N	320.236	1.615	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)c2cncc(O)c2)cc1	803397529	SDIPGQQYWWPLRM-UHFFFAOYSA-N	315.333	1.320	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1)C(C)C	297907517	IHEIGZXOUAZQRD-SMDDNHRTSA-N	321.352	1.581	50	20	DDGD	
CCCC[C@H](C)C(=O)NNC(=O)c1nnc(O)c2ccccc12	800322847	HRDSUNXLWHYEAY-JTQLQIEISA-N	316.361	1.923	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNc1cccc(NC(C)=O)c1	294018200	VNHPDYPXAQFCRA-UHFFFAOYSA-N	307.350	1.677	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)COc1ccc(C)cc1	807370227	BOPSUCMYIGVXKY-UHFFFAOYSA-N	324.377	1.310	50	20	DDGD	
CN(NC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1)C(=O)OC(C)(C)C	297293280	QBSDJEYOFILVCG-NWDGAFQWSA-N	324.381	1.396	50	20	DDGD	
CO[C@@H](Cc1ccccc1)C(=O)NNC(=O)NCc1ccco1	294818863	WBWRUWVRRLGKLE-AWEZNQCLSA-N	317.345	1.368	50	20	DDGD	
Cn1cnc2c(C(=O)NNc3ncncc3Cl)ccnc21	807322716	JXCHFNNFLPTYEZ-UHFFFAOYSA-N	303.713	1.169	50	20	DDGD	
CC(C)(C)c1n[nH]cc1C(=O)NNC(=O)NC1CCCCC1	292777459	UIWXTWZULMHHKB-UHFFFAOYSA-N	307.398	1.984	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@H](O)c1ccccn1	803438414	PJSROCVKCCQDDI-CQSZACIVSA-N	310.313	1.100	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@@H](C)c1nnc2ccccn12	298786231	WJDQZCGFXQGXGB-JTQLQIEISA-N	304.354	1.167	50	20	DDGD	
Cc1ccc2c(c1)CC[C@H](C(=O)NNC(=O)[C@@H]1CCCCO1)O2	295558380	MNVPHWOGVONIJS-LSDHHAIUSA-N	318.373	1.405	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)NCc2cccc(Cl)c2)O1	297384134	NFZHECXBWSLWDS-CABZTGNLSA-N	311.769	1.738	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1ccccc1C(F)(F)F	802023256	PHKWSLLHHRHLPJ-UHFFFAOYSA-N	324.262	1.989	50	20	DDGD	
COc1cccc(NNC(=O)[C@H](Cc2ccccc2)OC)n1	296710186	GJQOEXVHDPHUIR-ZDUSSCGKSA-N	301.346	1.791	50	20	DDGD	
Cc1cc(C)nc(C(=O)NNC(=O)CCc2ccccc2O)c1	801162536	FDZNOIZEWRJORW-UHFFFAOYSA-N	313.357	1.798	50	20	DDGD	
O=C(NCC1CC1)NN=C1CC(C(=O)O)(c2ccccc2)C1	814818178	HTIXMTDVIMVLIC-UHFFFAOYSA-N	301.346	1.868	50	20	DDGD	
COc1cc(Cl)cc(C(=O)NNC(=O)c2c[nH]nc2C)c1	815505965	FNBYFRUFCBGWIT-UHFFFAOYSA-N	308.725	1.455	50	20	DDGD	
CO[C@@H](C)[C@@H](C)NC(=O)NNC(=O)c1cccc2cccnc12	811870146	CMCKBVXKVYMGGX-MNOVXSKESA-N	316.361	1.602	50	20	DDGD	
C=C(CBr)CN[C@H](C1CC1)[C@]1(CO)CCCO1	815289758	JWKWHUDLGLVEGY-CHWSQXEVSA-N	304.228	1.847	50	20	DDGD	
CCOc1ccc(NNC(=O)c2cc(C)nc(NC)n2)cc1	817930203	DAKBINKJTFPGNP-UHFFFAOYSA-N	301.350	1.982	50	20	DDGD	
O=C(NNc1ncncc1F)[C@H]1CC(c2cccc(F)c2)=NO1	817081445	BNGPYURBKWOOPO-GFCCVEGCSA-N	319.271	1.391	50	20	DDGD	
Cn1nncc1NNC(=O)[C@@H]1CCCCN1Cc1ccccc1	816772413	YIPJDANPTHKVDM-AWEZNQCLSA-N	314.393	1.313	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2c[nH]c(C(=O)O)c2)cc1OC	814700470	UBCASDWACMFYHE-UHFFFAOYSA-N	317.301	1.494	50	20	DDGD	
O=C(CN1CCC[C@H](CC(F)(F)F)C1)NNC(=O)C1CC1	817281402	KOXQKGNFUWRKET-SECBINFHSA-N	307.316	1.208	50	20	DDGD	
CC[C@H](C)CONC(=O)NNC(=O)COc1ccc(C)c(C)c1	813831711	IUKDVZIBHBLEQJ-NSHDSACASA-N	323.393	1.990	50	20	DDGD	
O=C1CC(C(=O)NNc2ncncc2F)(c2ccccc2)C1	817077085	DUCCKWDDVIPBEL-UHFFFAOYSA-N	300.293	1.360	50	20	DDGD	
C[C@H](Cc1cnc2ccccc2n1)C(=O)NNc1cnccn1	816173549	JZMJNUCBHAOCQD-LLVKDONJSA-N	308.345	1.742	50	20	DDGD	
O=C(NNc1ncncc1F)N[C@H]1CCOc2c(F)cccc21	814322199	DBBSQITXXVMPPU-NSHDSACASA-N	321.287	1.905	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@@H]1CCOc2ccccc21	728207112	FEZJMWCWXOGQKE-SECBINFHSA-N	302.252	1.653	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCc1ccon1)c1ccccc1	827184940	JUKMSEHFSCCDJN-CQSZACIVSA-N	301.346	1.948	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc3c(c2)C[C@@H](C)O3)n1	829482769	SIFGQVRYTUMZLK-SNVBAGLBSA-N	314.345	1.874	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1	824010698	QMCYSUXAPPMACJ-UHFFFAOYSA-N	311.305	1.154	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccc2c1O[C@@H](C)C(=O)N2	729342890	CQFYREZIAFSQBL-VIFPVBQESA-N	320.349	1.150	50	20	DDGD	
CCN(CCO)NC(=O)c1cc2c(N(C)C)cccc2s1	823376967	MEJRZGCRGWIZFE-UHFFFAOYSA-N	307.419	1.926	50	20	DDGD	
N#Cc1ccc(SCC(=O)NNC(=O)CC(F)(F)F)cc1	728602805	OYRQQVFPTNLDQE-UHFFFAOYSA-N	317.292	1.750	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(CC(=O)NNC(=O)C(C)(C)C)C1	492932793	VZKLMEDZEPUTHZ-UHFFFAOYSA-N	313.398	1.437	50	20	DDGD	
C[C@H](NNC(=O)C[C@@H]1C(=O)Nc2c(F)cccc21)C(F)(F)F	826941937	LGDUEHAWIKAXMR-XPUUQOCRSA-N	319.258	1.823	50	20	DDGD	
COC(=O)N(C)NC(=O)C(F)(F)c1ccccc1NC(C)=O	495871510	WWVAMIPDZQAWEH-UHFFFAOYSA-N	315.276	1.466	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNc1nc2c(C)cccc2s1	828367389	NJUWWRCNVAXMGA-SECBINFHSA-N	306.391	1.963	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCC(C)(C)C1=CCCC1	826942285	SESHASRDZNLODX-DGCLKSJQSA-N	309.410	1.878	50	20	DDGD	
CCN(CCO)NC(=O)C1(c2cccc(Cl)c2)CC(=O)C1	823885164	YOSLTVZQNBKLBG-UHFFFAOYSA-N	310.781	1.286	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C	823959188	CYARMAAFSHFCTQ-NEPJUHHUSA-N	315.414	1.120	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(OC2CCOCC2)cc1	823951060	HMNHPYFBMYKDKA-LBPRGKRZSA-N	308.378	1.202	50	20	DDGD	
CCc1nc(C=NNC(=O)CNC(=O)OC(C)(C)C)cs1	494624530	KJMZZEJVXXYETK-UHFFFAOYSA-N	312.395	1.680	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCCCNC(=O)OC(C)(C)C	823934102	BSDXCWGESHUPDC-NSHDSACASA-N	303.403	1.025	50	20	DDGD	
OB(O)[C@H]1CCN(Cc2cn3ccc(Br)cc3n2)C1	585077897	XQUDATHGKRNLRX-VIFPVBQESA-N	323.987	1.146	50	20	DDGD	
COC(=O)C1(NC(=O)/C(C#N)=C\c2cnn(C)c2)CCCCC1	490977162	SKDGTLWOJJAUJY-JYRVWZFOSA-N	316.361	1.319	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H]1CCN1C(=O)OC(C)(C)C	495529426	RDPBCAZSHKHIQQ-SNVBAGLBSA-N	314.386	1.126	50	20	DDGD	
N#CCCCOc1cccc(NCc2ccc(B(O)O)o2)c1	585012039	KHUZYILHKDWPLT-UHFFFAOYSA-N	300.123	1.254	50	20	DDGD	
CCC1(CC)[C@@H](N(C)C(=O)c2ccc(B(O)O)cc2)C[C@H]1OC	584963029	OITDFBCYXQZBLC-LSDHHAIUSA-N	319.210	1.032	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1cc(C)c(C)s1	901966615	PSHRWVKOTBLGFQ-UHFFFAOYSA-N	300.405	1.478	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@]1(C)CCOC1	733347785	JKJSIVSKLZYSAU-HNNXBMFYSA-N	307.350	1.066	50	20	DDGD	
O=C(Cc1cccnc1)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	739350150	SKJWDZGWCZMOEX-UHFFFAOYSA-N	302.242	1.836	50	20	DDGD	
CC(C)(C(=O)NNC(=O)COC1CCOCC1)c1ccccc1	735248777	FVISAQDKQPXQCH-UHFFFAOYSA-N	320.389	1.307	50	20	DDGD	
Cc1ccc([C@@H](NC(=O)c2ccc(B(O)O)cc2)C2CC2)cc1	584929443	TWQRPOQFXLYHGA-QGZVFWFLSA-N	309.174	1.556	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2nc(C)cc(C)n2)nc1	904158910	ILBHCSGDJIAEDX-UHFFFAOYSA-N	301.306	1.032	50	20	DDGD	
Cc1ccccc1[C@H]1CCCN1CC(=O)NNC(=O)C1CC1	733194356	LOSJKLJKRGRTGG-OAHLLOKOSA-N	301.390	1.689	50	20	DDGD	
COc1ccc(NNC(=O)c2cccc(-c3nn[nH]n3)c2)cc1	737105923	MXWRTXWNPHTNFG-UHFFFAOYSA-N	310.317	1.632	50	20	DDGD	
O=C(O)NCC(=O)NNc1c(F)cc(F)cc1Br	739932328	FBHFHEATLRWNEH-UHFFFAOYSA-N	324.081	1.438	50	20	DDGD	
COc1ccc(-n2cc(C=NNC(=O)C(C)(C)O)cn2)cc1	834971900	HEZRUZGQBDUREB-UHFFFAOYSA-N	302.334	1.102	50	20	DDGD	
C[C@@H](COc1cccc(F)c1)NCc1cccc(B(O)O)c1	585018219	ILACGCMRKVDCEY-LBPRGKRZSA-N	303.142	1.063	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1ccc(F)cc1Cl	901965357	CYVAFUVKDMHVED-UHFFFAOYSA-N	318.757	1.592	50	20	DDGD	
CCCCOc1cc(OCCC)ccc1C(=O)NCB(O)O	585063118	UBPYSYIWPYPSIC-UHFFFAOYSA-N	309.171	1.396	50	20	DDGD	
COCCC(=O)NNc1cc(OC)ccc1Br	839907041	JKCGGBDEBIQVDY-UHFFFAOYSA-N	303.156	1.937	50	20	DDGD	
CO[C@H](C=NNC(=O)c1cccc([N+](=O)[O-])c1)C1CCOCC1	834914478	PPCOZPNSXGFLAO-CQSZACIVSA-N	321.333	1.752	50	20	DDGD	
C[C@@H](NCc1ccc(B(O)O)o1)[C@@H](C)Oc1ccccc1F	585029404	RFVMNDBPVCVTHP-GHMZBOCLSA-N	307.130	1.044	50	20	DDGD	
O=C(NCB(O)O)c1cc(Br)cc2ccccc12	585060636	USRLARMCTRCDLB-UHFFFAOYSA-N	307.940	1.344	50	20	DDGD	
COc1ccccc1/C(C)=C\C(=O)NNC(=O)Cc1cc[nH]n1	588445529	WACXRGFDNFZNIW-LUAWRHEFSA-N	314.345	1.212	50	20	DDGD	
CCOCc1cc(/C=C(/C#N)S(=O)(=O)N(C)C)ccc1OC	588616197	WWGQMSKSWGGQNY-ZROIWOOFSA-N	324.402	1.988	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cn2ccnc2)cc1)c1ccncc1	915635514	IPENIILCRHGWBZ-UHFFFAOYSA-N	321.340	1.401	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)NC(=O)NNc1cccc([N+](=O)[O-])c1	838694712	UAGDPJWNYSAULT-JTQLQIEISA-N	318.337	1.586	50	20	DDGD	
CC(=O)N1C[C@@H](C(=O)NCC(Cl)Cl)Oc2ccccc21	837650710	IFNQBRPXIRSOHJ-NSHDSACASA-N	317.172	1.720	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(C)c1	831337038	ISDNTFZBAVIXMY-AAEUAGOBSA-N	321.377	1.971	50	20	DDGD	
Cn1c(=NNC(=O)NCCOC2CCC2)sc2ccccc21	743694764	KZENFXNFCBTNEM-UHFFFAOYSA-N	320.418	1.924	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccc(Br)o1	918364884	WGNKSWXEERYRLL-UHFFFAOYSA-N	315.045	1.756	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)CNc2ccc(C)cc2)[nH]1	747625359	IQPUGDGQMKBZMJ-UHFFFAOYSA-N	314.345	1.672	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NC[C@@H]1CC[C@H](C)O1	838741991	DPODGKKONIDKGC-JSGCOSHPSA-N	305.378	1.435	50	20	DDGD	
CCO[C@H](CCNC(=O)NNC(=O)[C@H]1CCCCO1)C(C)C	836337835	WURPTZSXLALGIR-CHWSQXEVSA-N	315.414	1.337	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1ccc(F)nc1	746095806	CRKQRMREMJHDIL-UHFFFAOYSA-N	307.256	1.200	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNc2ccnc(N(C)C)n2)c1	740104931	RWJVSVWYNYWXTQ-UHFFFAOYSA-N	317.349	1.317	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCC[C@@H](C)OC)cc1	844944191	ABVFIRROFKFFKC-LLVKDONJSA-N	309.366	1.453	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cccc2c1OCCO2	742843463	QBGZMKZXXHSSFY-UHFFFAOYSA-N	309.391	1.365	50	20	DDGD	
CO[C@]1(C=NNC(=O)[C@H](C)CN2CCCCCC2)CCOC1	841614727	QFEQPOMMRGGBTO-ZBFHGGJFSA-N	311.426	1.406	50	20	DDGD	
CCNCc1cccc(NC(=O)NNc2nccnc2OC)c1	841310204	IYVXJUFMCQPGJC-UHFFFAOYSA-N	316.365	1.743	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)/C=C\c1ccc(Cl)nc1	843658666	FJWDJSXJERBRIY-VQHWEZBXSA-N	309.753	1.321	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1nc2ccccc2s1	843972302	AJYCEAQYVNPTOF-RKDXNWHRSA-N	305.359	1.482	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC=C(c2ccccn2)C1	846922134	FZGWPYTVGUPJBL-UHFFFAOYSA-N	316.405	1.364	50	20	DDGD	
Cc1c(C=NNC(=O)CC(C)C)c(=O)n(-c2ccccc2)n1C	912797760	FVMHEAJGTDOQBX-UHFFFAOYSA-N	314.389	1.981	50	20	DDGD	
NCC[C@H](NC(=O)NNc1ccc(Cl)nn1)C(F)(F)F	841335156	NPYJGIIXWWGIFX-YFKPBYRVSA-N	312.683	1.036	50	20	DDGD	
Cc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843641012	FCHLWENFDYIHOU-VHSXEESVSA-N	307.306	1.089	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)c1csc(N)n1	743444209	HNNRNCDKKCWKSA-UHFFFAOYSA-N	319.346	1.969	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc([N+](=O)[O-])c1)c1cnn(C)c1	745840798	YXDNQSMOABWTFP-VIFPVBQESA-N	304.310	1.716	50	20	DDGD	
CCC(CC)n1nccc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843662504	RIULGPASIKGKSI-PWSUYJOCSA-N	308.382	1.430	50	20	DDGD	
CC[C@](O)(C(=O)NN(C)C[C@H](C)O)c1cccc(Cl)c1	910149514	FSCWBCPEKHROMK-IINYFYTJSA-N	300.786	1.281	50	20	DDGD	
CNc1ccc(NC(=O)C(=O)NCCSSC)cn1	841125428	LTYLZWCSNULLIE-UHFFFAOYSA-N	300.409	1.189	50	20	DDGD	
C[C@@H](CO)CSCC(=O)NNC(=O)c1cccc(Cl)c1	746390202	ZJPOSGGCKLOTEQ-VIFPVBQESA-N	316.810	1.463	50	20	DDGD	
O=C(NNC(=S)NCCCCC(F)(F)F)c1cc[nH]n1	849276858	KANAYTVEQDNVRV-UHFFFAOYSA-N	309.317	1.251	50	20	DDGD	
O=C(NNc1ccc(Br)c(F)c1)N[C@@H]1CCNC1	841942395	YKDMOONLYFUDHM-MRVPVSSYSA-N	317.162	1.576	50	20	DDGD	
C[C@]1(CNC(=O)NCCn2cccc2)C[C@H]1Br	856838874	FBIMZJMZJRQEHI-ZYHUDNBSSA-N	300.200	1.961	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc2c1CCNC2=O	841782302	LEUQQICMEPUDMR-SECBINFHSA-N	304.350	1.171	50	20	DDGD	
NC[C@@H](NC(=O)NNC(=O)c1ccccc1F)C1CCCCC1	841938731	ATXHXKSFSJAZKA-CQSZACIVSA-N	322.384	1.677	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@H](CC(C)C)OC)cc1	842225430	VXZSTYLBDWVICE-AWEZNQCLSA-N	323.393	1.316	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H]1CCCN1Cc1ccccc1	854926018	PYKOWNFRBUJUPW-CYBMUJFWSA-N	306.435	1.118	50	20	DDGD	
CCCNC(=O)NN=Cc1c[nH]nc1-c1ccc2c(c1)OCO2	920988462	MAFSUSWLNKOKEV-UHFFFAOYSA-N	315.333	1.849	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1C1CC1)c1cccc(Cl)n1	857323090	AQJXQYNZTCBIFQ-LLVKDONJSA-N	308.769	1.123	50	20	DDGD	
CC(C)CN1C[C@H](C(=O)NN=c2cc[nH]cc2Cl)CC1=O	757420257	VYRFTWCJOOUPAV-SNVBAGLBSA-N	310.785	1.105	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@@]3(CCOC3)C2)C[C@@H]1Br	856900081	TVBVOHDHFLDEGZ-CYZMBNFOSA-N	317.227	1.982	50	20	DDGD	
O=C(NCc1nnc2n1CCCC2)NNc1ccc(Cl)cn1	852059388	CPMQRMJHIUUUQJ-UHFFFAOYSA-N	321.772	1.489	50	20	DDGD	
CC(=O)N1CC[C@@H](NC(=O)NNc2cccc([N+](=O)[O-])c2C)C1	856971423	LWKPAKURPRSKMA-LLVKDONJSA-N	321.337	1.150	50	20	DDGD	
COCCCNC(=O)NN=C1CCc2ccc(OC)cc2C1	752725843	CEUWMNHSXCEBMR-UHFFFAOYSA-N	305.378	1.876	50	20	DDGD	
CC(C)c1cnc(NC(=O)C(=O)NNc2ccccn2)s1	756153992	PVTDIBAOWJNYQB-UHFFFAOYSA-N	305.363	1.743	50	20	DDGD	
C[S@@](=O)CCN1CCN(/C(=C/C#N)c2ccc(F)cc2)CC1	755959753	UXOBKBZKNZQHDK-CHNDHJLWSA-N	321.421	1.686	50	20	DDGD	
CC(CN1Cc2ccccc2C1=O)=NNC(=O)c1cccnc1	754899430	CGMLPDXABWZDKX-UHFFFAOYSA-N	308.341	1.843	50	20	DDGD	
Cn1nncc1NNC(=O)C1(Cc2ccc(Cl)cc2)CC1	857273097	MCSPBNWGVOZNJS-UHFFFAOYSA-N	305.769	1.935	50	20	DDGD	
COC(=O)c1ccc(O)c(C=NNC(=O)c2ccc(C)o2)c1	752172934	UQKWKUNLQMWERT-UHFFFAOYSA-N	302.286	1.844	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)CO[C@H]1CCC[C@@H](C)C1)C1CC1	855101448	WCKDUTVTVAKQFZ-MDZLAQPJSA-N	313.467	1.876	50	20	DDGD	
Cn1c(NNC(=O)Cn2cc(C3CC3)cn2)nc2ccccc21	857257076	QNGOESAGJQLQSR-UHFFFAOYSA-N	310.361	1.791	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@@H]2C[C@@H](C)O[C@H]2C)c1	858540626	KEWQSLOZWZIWRE-VWYCJHECSA-N	311.407	1.814	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1ccc(-n2ccnc2)cc1	921201638	RZLSALKQNAJBJC-UHFFFAOYSA-N	315.377	1.749	50	20	DDGD	
CC[C@@](O)(CC(=O)NNC(=O)CC(F)(F)F)c1ccccc1	854997556	NTYXBIMQJQEIMA-CYBMUJFWSA-N	318.295	1.774	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)OCC(F)(F)F)cc1	856026717	JGQCCDRGJCDRML-UHFFFAOYSA-N	306.240	1.557	50	20	DDGD	
CSC(C)(C)C(=O)NNC(=O)c1c(C)nc2ccccn12	854292256	CRQVFZDXLQCQFL-UHFFFAOYSA-N	306.391	1.545	50	20	DDGD	
CCCC[C@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(C)C	856744084	GCGGRHFOJXUGPW-NEPJUHHUSA-N	318.439	1.031	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1cc(F)cc(F)c1	758388275	YIVHWHZMBFETAW-UHFFFAOYSA-N	318.283	1.839	50	20	DDGD	
CN(Cc1nnn(C(C)(C)C)n1)NC(=O)OCc1ccccc1	859384480	HDLHJXRZKFYVST-UHFFFAOYSA-N	318.381	1.701	50	20	DDGD	
C[C@@H]1CCN(C(=O)NC[C@]2(C)C[C@H]2Br)C[C@@H]1CO	856958645	JIZNBJYWGQKSNL-UZWSLXQKSA-N	319.243	1.820	50	20	DDGD	
CCO[C@@H]1COCC[C@@H]1NC(=O)NNc1cc(F)ccc1C	853987882	KKUKAAMZVTVQTC-GXTWGEPZSA-N	311.357	1.954	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cnn(-c2ccc(Cl)cc2)n1	751584387	PECSWTDGWCXQIN-UHFFFAOYSA-N	321.768	1.728	50	20	DDGD	
CCO[C@@H]1C[C@H](N[C@H](C)C(=O)NNC(=O)CC)C1(CC)CC	759438055	TUWMPFHMAXFACL-FRRDWIJNSA-N	313.442	1.506	50	20	DDGD	
Cc1ccc2ncc(C=NNC(=O)c3sc(N)nc3C)n2c1	755631730	OPKMQLFFGYVODS-UHFFFAOYSA-N	314.374	1.754	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H]2CC2(C)C)c1	751803100	DJQLMIXDUKWLNN-GFCCVEGCSA-N	304.346	1.345	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CCC2(O)CCC2)cc1	868430374	PAZNIVWUPIEXIY-UHFFFAOYSA-N	320.389	1.470	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CSc2ccccc2O)no1	763480045	VCJHAWCRSNXSQL-UHFFFAOYSA-N	322.346	1.634	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)CCc2ccccc2O)CCC1=O	764176919	ZHSGYOSAVGLEIS-YPMHNXCESA-N	318.373	1.478	50	20	DDGD	
COCc1nc(C)c(C(=O)NNc2nccnc2Cl)s1	760150826	DFOYTJFOOGJJRU-UHFFFAOYSA-N	313.770	1.798	50	20	DDGD	
C[C@@H](NNC(=O)CNC(=O)Cc1cccc(F)c1)C(F)(F)F	862309572	MTBAOHGVSLIUAG-MRVPVSSYSA-N	321.274	1.056	50	20	DDGD	
CCn1ncc(C(=O)NNCC(F)(F)C(F)(F)F)c1C	869455124	QHAKMCXKFHPCBA-UHFFFAOYSA-N	300.231	1.643	50	20	DDGD	
CCCOc1ccccc1NC(=O)C(=O)NNC(=O)CC(C)C	763889121	YDBJEBCVGDCPPD-UHFFFAOYSA-N	321.377	1.607	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1CCN(C2CCCCC2)C1	764466318	ZXKMLUUVJBNHDD-GFCCVEGCSA-N	319.409	1.583	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccccc1OCC(C)C	763441949	OIMOFCSHNJINCJ-UHFFFAOYSA-N	307.350	1.217	50	20	DDGD	
CC[C@@H](C(=O)NN=Cc1cn(CC(=O)O)nn1)c1ccccc1	768485578	SETVJTJGKMMVQL-CYBMUJFWSA-N	315.333	1.007	50	20	DDGD	
CO[C@@H](CS(=O)(=O)NCC(Cl)Cl)C1CCCC1	867468400	FABJHNALZSEUER-VIFPVBQESA-N	304.239	1.915	50	20	DDGD	
NS(=O)(=O)c1cc(C(=O)NNc2ccccc2Cl)co1	765008333	IIRJTNDZBLESDP-UHFFFAOYSA-N	315.738	1.337	50	20	DDGD	
CCc1csc(-n2cc(C(=O)NNC(=O)CC(C)C)cn2)n1	762679960	DDIOQVAXURFGTO-UHFFFAOYSA-N	321.406	1.698	50	20	DDGD	
C[C@@H]1CN(C(=O)OC(C)(C)C)CC1=NNC(=O)c1ncccn1	863121054	YFDMQMYSJWLGHM-SNVBAGLBSA-N	319.365	1.449	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])n1C	761515223	RVWRIMPLNWZIRU-UHFFFAOYSA-N	302.290	1.317	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1C	861452004	KBBILQUNVOKMKM-WDEREUQCSA-N	307.350	1.581	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCC(=O)N1)c1ccc(F)cc1N(C)C	863149320	XGEORRKHLQUNPN-GFCCVEGCSA-N	306.341	1.011	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)CNc2ccccc2)CCC1=O	763496491	HKPZYNNXJRNZHL-NEPJUHHUSA-N	303.362	1.251	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc2c(c1)ncn2C	761267930	WMTKESWNVZQFMM-LLVKDONJSA-N	304.350	1.075	50	20	DDGD	
COc1cc(C(=O)NN=C2CCN(C)C2=O)ccc1OC(C)C	761767874	VWKCHYDBMIOQFD-UHFFFAOYSA-N	319.361	1.430	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CO[C@H]1CCOC1)c1ccccc1	1116193756	HNOJBSODHXRPCR-UONOGXRCSA-N	306.362	1.133	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)CCOC(C)C)nc1C	778427167	VSOZMYFIOIABOA-UHFFFAOYSA-N	310.354	1.220	50	20	DDGD	
CSCCNC(=S)NNC(=O)Cc1ccccc1CC#N	776985908	DZTIFJHLTMUASA-UHFFFAOYSA-N	322.459	1.153	50	20	DDGD	
CC[C@H](C)Oc1cc(C(=O)NNC(=O)NCC2CC2)ccn1	777371934	FKSJKEYMGGGRLQ-JTQLQIEISA-N	306.366	1.613	50	20	DDGD	
C=C[C@H](COC)NC(=O)NNC(=O)c1ccc2ccccc2n1	1116644099	XLFYNXUGKCRWDC-GFCCVEGCSA-N	314.345	1.380	50	20	DDGD	
COc1cnc(C(=O)NNC(=O)c2ccccc2Cl)nc1	1117743099	LFMSJXHROLPLCP-UHFFFAOYSA-N	306.709	1.213	50	20	DDGD	
Cc1nn(C)c(-n2cccn2)c1C(=O)NNc1cccc(C#N)c1	779008075	DIVCXWVONCVLBZ-UHFFFAOYSA-N	321.344	1.543	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccc(C#N)cc1)[C@H]1CCCOC1	779992398	IPOWYZXGTWUKLO-RISCZKNCSA-N	316.361	1.317	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](C)[C@H]1OCCc2sccc21	875616092	VWZCBIBURPEOBP-GZMMTYOYSA-N	313.379	1.663	50	20	DDGD	
Nc1cnnc(NNC(=O)/C=C/c2cccc(O)c2)c1Cl	1118986539	WOKSHVFWNUDOQN-SNAWJCMRSA-N	305.725	1.574	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@H](C(=O)NCCCSC#N)C1	773593533	JZOPEDVNXOXHKR-LBPRGKRZSA-N	311.451	1.992	50	20	DDGD	
CC[C@@H]1C[C@@H](C(=O)NNC(=O)c2cccc(C#N)c2)CCO1	779904418	ZABBOSTYBAXKCK-UONOGXRCSA-N	301.346	1.524	50	20	DDGD	
Cc1cccc(CO[C@@H](C)C(=O)NNc2nccn(C)c2=O)c1	879073801	XGEDLUXSNSHERF-LBPRGKRZSA-N	316.361	1.137	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCC[C@H](C[C@@H]2CCOC2)C1	773544387	GCAKXFUDNADDSH-OLZOCXBDSA-N	311.426	1.912	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCS[C@@H](C)[C@H]2C)c1	777588611	NFKBZGZLDOVRHX-OLZOCXBDSA-N	321.446	1.582	50	20	DDGD	
Cc1csc2ncc(C(=O)NNc3ccccc3)c(=O)n12	776456958	QKHVAIXDGRDXOS-UHFFFAOYSA-N	300.343	1.821	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCCCC(=O)NC)cc1	779726156	XGUYRVBSABBFFZ-UHFFFAOYSA-N	305.378	1.316	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCCC[C@@H](C)C2)cc1	775729827	VFXRKXLKAYBOEL-CQSZACIVSA-N	303.406	1.878	50	20	DDGD	
O=C(NNS(=O)(=O)CCC1CCCC1)c1ccccc1F	882661930	CEWXMHXXUKPZLL-UHFFFAOYSA-N	314.382	1.970	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H](C)[C@H]2CCCOC2)c1	780863150	RTGYBKXPAADBEG-AAEUAGOBSA-N	321.377	1.914	50	20	DDGD	
CCCOc1cccc(C(=O)NNC(=O)C2CCOCC2)c1	883061845	JKJLMVZCYZPDAN-UHFFFAOYSA-N	306.362	1.663	50	20	DDGD	
C[C@H]1[C@@H](C)N(C)C(=O)[C@@H](C)N1S(=O)(=O)CC(C)(C)CCl	882869824	QUSAPSRXYWXKML-OUAUKWLOSA-N	324.874	1.521	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)[C@@H](C)C2(C)C)o1	780875699	XKQRBHCSUVOLFY-GHMZBOCLSA-N	306.362	1.990	50	20	DDGD	
Cc1nonc1C(=O)NNC(=O)NCc1ccc(Cl)cc1	787435850	DFARDLMTTVRNMZ-UHFFFAOYSA-N	309.713	1.176	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(C)n(C(C)C)n2)cc1O	882050962	KUKWUVGVIRVQAK-UHFFFAOYSA-N	316.361	1.861	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)/C=C\c1ccc[nH]1	783675950	HDTWYINEVAUPGR-HJWRWDBZSA-N	305.359	1.575	50	20	DDGD	
O=C(CCc1ccc(O)nc1)NNc1ccc([N+](=O)[O-])cc1	787458135	KLNGRTOIRDTTOQ-UHFFFAOYSA-N	302.290	1.771	50	20	DDGD	
CCn1cc(CC(=O)NNC(=O)c2ccc(Cl)cc2F)cn1	780853422	ZCUHFHOOTDDKCH-UHFFFAOYSA-N	324.743	1.699	50	20	DDGD	
CC1=NO[C@](C)(C(=O)NNc2ccc(S(C)(=O)=O)cc2)C1	1120710475	NCGJCYKNKHPJAN-ZDUSSCGKSA-N	311.363	1.088	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccccc2S(N)(=O)=O)cc1	788232896	ZUBUVGABXPPLQJ-UHFFFAOYSA-N	305.359	1.399	50	20	DDGD	
CC(C)CCN1C(=O)C(=NNC(=O)C(C)(C)O)c2ccccc21	785463525	QAUXNMUVCDTESK-UHFFFAOYSA-N	317.389	1.671	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2ccc(OC)cc2)cc1	783039084	FVSYNTVSNBNRHW-UHFFFAOYSA-N	315.329	1.786	50	20	DDGD	
C#CCCCC(=O)NNC(=S)N[C@@H]1CCOc2ccccc21	899620958	YBKILOPZQPXQCF-CYBMUJFWSA-N	317.414	1.809	50	20	DDGD	
CCOC1CCN(C(=O)NNC(=O)c2cccc(C)n2)CC1	793229304	WCRNXQQINIWPTR-UHFFFAOYSA-N	306.366	1.245	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53	798123833	AVKFPRKTMCADLR-DIJRRZNFSA-N	303.431	1.062	50	20	DDGD	
C[C@@H]1COCCC1=NNC(=O)c1nn(C)c(=O)c2ccccc12	794470508	INEDWCACORQPSU-SNVBAGLBSA-N	314.345	1.076	50	20	DDGD	
CO[C@@]1(C)CCCN([C@@H](C)C(=O)NNC(=O)CC(C)C)CC1	796507837	FQTHYONECHLGBR-BBRMVZONSA-N	313.442	1.459	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H](C)c2c(C)noc2C)n1	792939006	JSJKCVBJEJMKST-SECBINFHSA-N	317.349	1.700	50	20	DDGD	
Cc1cc(F)cc(S(=O)(=O)NNC(=O)c2cccc(C)n2)c1	794599921	UYWMKHNUMCLQAH-UHFFFAOYSA-N	323.349	1.461	50	20	DDGD	
COc1cc(NNC(=O)CNC(=O)C(C)(C)C)ccc1Cl	790179205	MJMOCSJQJAURLS-UHFFFAOYSA-N	313.785	1.954	50	20	DDGD	
O=C(CCc1ncc[nH]1)NNC(=O)c1cc(-c2ccccc2)[nH]n1	791196924	XZOLGTPQKZTMGS-UHFFFAOYSA-N	324.344	1.194	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2ccc(N)cc2)cn1C	790141797	UXDYVWMVTRQQRT-UHFFFAOYSA-N	300.318	1.158	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)[C@@H]1Cc2ccc(F)cc21	798128439	KMIZXNSEUJTRHY-GFCCVEGCSA-N	316.361	1.878	50	20	DDGD	
CC(F)(F)CCC(=O)NNC(=O)c1n[nH]c2c1CCCC2	1317899983	KIFQIGFXKCCBBR-UHFFFAOYSA-N	300.309	1.485	50	20	DDGD	
CC(C)c1ocnc1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1318488548	KIEYPYBNGDODOK-UHFFFAOYSA-N	317.349	1.475	50	20	DDGD	
CCN(CC(=O)NNc1cncc(Br)c1)C1CC1	1320385489	JKMABKIOCUWBPW-UHFFFAOYSA-N	313.199	1.772	50	20	DDGD	
Cc1ncnc(O)c1CCC(=O)OC[C@@H](C)CBr	1324064130	JFXXGWBRYJHJHU-QMMMGPOBSA-N	317.183	1.997	50	20	DDGD	
CCn1c(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc2ccccc21	1328550120	AVTDOENOZJJMRY-AAEUAGOBSA-N	315.373	1.847	50	20	DDGD	
C[C@H](CC(=O)NNc1nncc(N)c1Cl)[C@H]1CCCNC1	1326302814	KREKZHYLNYURRQ-BDAKNGLRSA-N	312.805	1.181	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(C(=O)NC)cc1C	1325336544	MOSHITWCGIPZLQ-VIFPVBQESA-N	306.366	1.553	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1NC(=O)NNC(=O)CC(F)(F)F	1320106417	JGVVMYVKGRBBAK-UHFFFAOYSA-N	321.303	1.823	50	20	DDGD	
CC(C)NC(=S)NNC(=O)COc1cc(F)cc(F)c1	1324023962	MONUMABCNIEBIC-UHFFFAOYSA-N	303.334	1.247	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2CN3CCCN2CC3)cc1Cl	1324584179	GFYBTHZEVDXQAH-AWEZNQCLSA-N	308.813	1.481	50	20	DDGD	
CCC1(CC)Oc2ccc(NC(=O)NNC(=O)CCO)cc2O1	1320634612	WRAIZUUMQGBTOS-UHFFFAOYSA-N	323.349	1.509	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2c[nH]nc2[N+](=O)[O-])nn1	1322719576	BIKZDDHFSWZNPQ-UHFFFAOYSA-N	305.298	1.162	50	20	DDGD	
Cc1ccc(NNC(=O)c2ccc(C(N)=O)nc2)cc1Cl	1320949985	RQPSIUGTQZPTCX-UHFFFAOYSA-N	304.737	1.899	50	20	DDGD	
Cc1ccc(Cl)c(NC(=O)NNC(=O)C2CCNCC2)c1	1326073636	BKGNWJFRAQPYDE-UHFFFAOYSA-N	310.785	1.801	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N(C)Cc2ccn(C)n2)cc(C#N)n1C	1336289569	PYYMYNCMOAMTPX-VGOFMYFVSA-N	322.372	1.504	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1NC(=O)NNC(=O)C1CCOCC1	1330660897	DRECCDPEOJCZJN-UHFFFAOYSA-N	323.397	1.297	50	20	DDGD	
NC1(CNC(=O)NNc2ccccc2OC(F)(F)F)CC1	1335690712	SBPARFSDJYBCMO-UHFFFAOYSA-N	304.272	1.703	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@@H]2CC[C@@H](OC)C2)cc1	1261507662	GOIWFNPOSVFKKP-ZIAGYGMSSA-N	321.377	1.596	50	20	DDGD	
CC(=NNC(=O)c1c(C)nc2ccccn12)c1ccnc(C)n1	1343643250	KZSWFQZILCTZMC-UHFFFAOYSA-N	308.345	1.895	50	20	DDGD	
C=C[C@](C)(CCOC)C(=O)NNC(=S)Nc1ccccn1	1352273559	ZIPKXWMVLFNTRO-CQSZACIVSA-N	308.407	1.628	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNc2nncc(N)c2Cl)c1	1600110241	NPIFEDULWGBLNF-UHFFFAOYSA-N	321.724	1.476	50	20	DDGD	
Cn1cc(C(=O)NNc2cccc(C(=O)O)c2F)cc1C=O	1600932185	LVDVABFFJLOWOW-UHFFFAOYSA-N	305.265	1.432	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccc(F)c(C(=O)O)c2)c(O)n1	1600340888	BIGCCNLAOKSESI-UHFFFAOYSA-N	305.265	1.690	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccccc1S[C@H](C)C(=O)O	1605495412	YNHUKDQEOSGFGE-MRVPVSSYSA-N	311.363	1.216	50	20	DDGD	
O=C(CCc1cncnc1)NNc1ccc(C(=O)O)cc1F	1601293384	JWJXQEUOOKOEKS-UHFFFAOYSA-N	304.281	1.390	50	20	DDGD	
C#CCCCC(=O)NN[C@@H](C(=O)OC)c1cccc(C(=O)O)c1	1602701655	RQWXHYFGGPVJJW-CQSZACIVSA-N	318.329	1.023	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cccc(CC(=O)O)c2)c1Cl	1608274313	YWRBSQLJLDHHLX-UHFFFAOYSA-N	321.724	1.096	50	20	DDGD	
CCOCC1(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CC1	1604421068	MGEUCGIXXCIITK-UHFFFAOYSA-N	302.338	1.127	50	20	DDGD	
COc1cc(C(=O)NN(C)c2ccccc2)ccc1-c1nn[nH]n1	1605196648	JEAHNRWFSNDRQT-UHFFFAOYSA-N	324.344	1.657	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C(=O)O)c1cc2ccccc2s1	1604292596	XFUUULYAIVUCDS-SSDOTTSWSA-N	307.331	1.377	50	20	DDGD	
O=C(NCCCN1CCCC1)NNc1ccc(C(=O)O)cc1F	1608443743	AHKGZXCWXKZUPL-UHFFFAOYSA-N	324.356	1.636	50	20	DDGD	
CCOc1ccc(NNC(=O)Nc2nn(C)cc2C(=O)O)cc1	1605696891	ZFUFVEQFJNENEZ-UHFFFAOYSA-N	319.321	1.666	50	20	DDGD	
O=C(O)CNC(=O)NN=C1CC2(CCC2)Oc2ccccc21	1610784182	XLWUIOPMTNFNCS-UHFFFAOYSA-N	303.318	1.480	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1F	1549315535	NWSUZIRDOWMBEC-WFASDCNBSA-N	305.353	1.529	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2CCC[C@H](C(=O)O)C2)n1	1610518796	YQYUWVBCPMVLHS-MNOVXSKESA-N	305.334	1.042	50	20	DDGD	
C/C(=C\C(=O)NN(C)C(=O)N1CCNCC1)c1cccc(F)c1	1574972383	LCUWGZCRYLMBFK-ZRDIBKRKSA-N	320.368	1.217	50	20	DDGD	
C=C[C@H](O)C(=O)NNc1cc(C(=O)O)ccc1Br	1588705900	RVACVMVSKQTZCT-VIFPVBQESA-N	315.123	1.137	50	20	DDGD	
C[C@]1(C(=O)NNc2cccc(F)c2C(=O)O)C[C@H]2CC[C@H]1O2	1593755547	TXGQXAUYWKADSH-UQHVFFSPSA-N	308.309	1.925	50	20	DDGD	
O=C([C@@H]1CCCCO1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843361860	VZWBXVSINGWLQW-WDEREUQCSA-N	318.776	1.293	50	20	DDGD	
C[C@]1(C(=O)N2CCSC[C@H](C(=O)O)C2)C[C@@H]1Br	1593748463	TZZRIQWSIWNISC-FYBVGQRMSA-N	322.224	1.436	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1ccc2c(n1)CCCN2	1594780965	BGGFPLDEHZHSDV-UHFFFAOYSA-N	313.317	1.290	50	20	DDGD	
COCc1ncsc1C(=O)NNc1ncccc1C(=O)O	1594033387	SGFWGBXKGBNAAJ-UHFFFAOYSA-N	308.319	1.140	50	20	DDGD	
O=S(=O)(CCCCl)Oc1ccc(-c2nn[nH]n2)cc1F	1593418428	BXSRDYGJJRYTAW-UHFFFAOYSA-N	320.733	1.343	50	20	DDGD	
CCC(=NNC(=O)c1cc[nH]n1)c1cc(C(=O)O)ccc1F	1776091868	KUMZOIDJZDZOLF-UHFFFAOYSA-N	304.281	1.791	50	20	DDGD	
COc1cc(C(=O)O)ccc1/C=C(/C#N)C(=O)N1CCCC1	1776123097	XNKDJWLHRUBHGB-JYRVWZFOSA-N	300.314	1.923	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2cc(CO)ccc2O)cc1	1776100580	PCWXCVATJFXHIL-UHFFFAOYSA-N	314.297	1.347	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=Cc1cccc(OCCC(=O)O)c1	1776101829	AHQMKXVHRXFRBD-UONOGXRCSA-N	320.345	1.415	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl)c1ccc[nH]1	1796807605	QKNZSRLNCJYLGA-WYFGTUCQSA-N	313.760	1.801	50	20	DDGD	
CCC(CC)CNC(=O)NNc1ccc(-n2cccn2)nn1	160555285	NCCGEMCEHCKYMR-UHFFFAOYSA-N	303.370	1.725	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)CCc1ccc(OC)cc1	151720484	MFEPUIDKSUVCLV-GFCCVEGCSA-N	308.378	1.590	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@H]1CCC[C@@H]2OCC[C@H]12	151684441	IVUJTKNJRCFTFZ-UTLUCORTSA-N	311.773	1.714	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)c1ccc(C(=O)NC2CC2)cc1	155037981	ZJASSMFWRSAZJD-UHFFFAOYSA-N	324.340	1.049	50	20	DDGD	
CN([C@H](CO)Cc1ccccc1)S(=O)(=O)CCCCCl	849407571	KSYRBPQVYFFJDZ-AWEZNQCLSA-N	319.854	1.871	50	20	DDGD	
O=C(CCc1cccnc1)NNC(=O)Cc1ccc(F)cc1	8031169	LLSWPJNIPSUXPS-UHFFFAOYSA-N	301.321	1.543	50	20	DDGD	
Cc1nnc(NNC(=O)CCc2ccc(Cl)cc2)nc1O	29067337	VWVDIJHEISXDKB-UHFFFAOYSA-N	307.741	1.615	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N1CCSCC1	103506245	YMKDZDLJXMHVBR-UHFFFAOYSA-N	319.390	1.046	50	20	DDGD	
C[C@H]1COCCN1C(=O)NNC(=O)Cn1ccc2ccccc21	104819515	QECDDZMHUOYGHC-LBPRGKRZSA-N	316.361	1.103	50	20	DDGD	
CCOC(=O)CN(CC)C(=O)c1c(C)nn(CCCl)c1C	179258660	IOSRDUFSMHTUSQ-UHFFFAOYSA-N	315.801	1.764	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2ncccc2C)cc1	175768541	PDIPYECNFHNDEP-UHFFFAOYSA-N	313.357	1.792	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H](c2ccco2)N(C)C)nn1	106328082	VFZCZJAQVBTYFH-NSHDSACASA-N	304.354	1.307	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Cc2c[nH]c3ccc(F)cc23)cn1	117681549	JPDCBGPIQRANEN-UHFFFAOYSA-N	315.308	1.044	50	20	DDGD	
CSc1cc(C(=O)NNC(=O)Cc2cccnc2)ccn1	103423092	VNTPTXWPQFPEAP-UHFFFAOYSA-N	302.359	1.202	50	20	DDGD	
CC(C)(C)CC(=O)NCC(=O)NNc1ccccc1[N+](=O)[O-]	53061348	GHMXEVFETOXSGB-UHFFFAOYSA-N	308.338	1.590	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2cccc([N+](=O)[O-])c2)o1	177281146	MHQRKJPCXUWHHU-UHFFFAOYSA-N	318.289	1.640	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2cccc(F)c2F)o1	176688136	KSDKCQMZVCCKHE-UHFFFAOYSA-N	316.285	1.490	50	20	DDGD	
CS(=O)(=O)CCC(=O)NNc1ncc(Cl)cc1Cl	119498384	XHHOXXYFOOORAU-UHFFFAOYSA-N	312.178	1.266	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NNC(=O)NCc1ccc(Cl)cc1	112624672	FHCMYZDVXFQQEB-LUAWRHEFSA-N	322.752	1.614	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)c1csc2c1CCCC2	404914786	NLVQKILXVWLJCH-UHFFFAOYSA-N	301.176	1.559	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(-c3ccncc3)on2)nc(C)n1	172375674	SHDCZCFNVWOQSS-UHFFFAOYSA-N	310.317	1.900	50	20	DDGD	
COc1ccnc(C(=O)NNc2ccc(C(C)(C)C)nn2)c1	118525727	FHDUAQDCPLRIDO-UHFFFAOYSA-N	301.350	1.935	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)nn1C	28580116	VYUMIQBBDGUTPH-UHFFFAOYSA-N	307.741	1.848	50	20	DDGD	
C[C@H](CC(=O)NNc1ncc(F)cn1)NC(=O)C1CCCC1	123127371	KMQAYPJDRIXVGD-SECBINFHSA-N	309.345	1.144	50	20	DDGD	
C[C@@H](CCO)NS(=O)(=O)c1ccc(CCCCl)cc1	120255298	HHMZFUWXFOYHCJ-NSHDSACASA-N	305.827	1.907	50	20	DDGD	
C[C@H](CN(C)Cc1ccccc1)NC(=O)NNc1cccnn1	181330755	PJSQEANRKBZZFR-CYBMUJFWSA-N	314.393	1.623	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)N(C)C)C(=O)c1ccc(Cl)cc1	181492590	FGNTZHCFOJRHOL-SECBINFHSA-N	311.769	1.851	50	20	DDGD	
CCOc1ncccc1CNC(=O)NNc1cncc(Cl)n1	124966233	KJACPNSJAYEWOD-UHFFFAOYSA-N	322.756	1.750	50	20	DDGD	
Cc1cnc([C@@H](C)NCC(=O)NNC(=O)c2ccccc2)s1	184994678	SXGLYEDQYQUDRS-LLVKDONJSA-N	318.402	1.563	50	20	DDGD	
CSC[C@](C)(O)CNC(=O)/C(C#N)=C\c1ccc(F)cc1	183211862	PXHSFQIFCGVUMS-WASHYIJTSA-N	308.378	1.963	50	20	DDGD	
NC(=O)NCCCCC(=O)NNc1ncc(Cl)cc1Cl	186939910	SAPSRLIMHFKUDH-UHFFFAOYSA-N	320.180	1.670	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2nnc(-c3ccccn3)s2)nc1	188228897	OUSTYRWGRYYKBF-UHFFFAOYSA-N	323.341	1.624	50	20	DDGD	
COCCC[C@H](C)C(=O)NNC(=O)COc1cccc(C)c1	182648950	NBGICVCMQZSTCB-ZDUSSCGKSA-N	308.378	1.584	50	20	DDGD	
CCC[C@@H](C)N1C[C@@H](C(=O)NNc2nc(C)cc(C)n2)CC1=O	193632416	VXBOXPQWYJVMRZ-OLZOCXBDSA-N	319.409	1.574	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](C)CCN(C)C	81397073	RSXXUJSCGZPQOE-JTQLQIEISA-N	300.834	1.809	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cc(C)c(OC)c(C)c1	194177146	PCRWQDPXDNGWKZ-SECBINFHSA-N	314.407	1.668	50	20	DDGD	
C[C@@H](O)C(=O)NNC(=O)c1ccc(COc2ccccc2)o1	136115652	AWZUJVSTXOTLDU-SNVBAGLBSA-N	304.302	1.000	50	20	DDGD	
CSc1nc(-c2ccco2)nc(C)c1C(=O)NNC(C)=O	193039182	IQZWMXVSSAAHAM-UHFFFAOYSA-N	306.347	1.548	50	20	DDGD	
NC(=O)CC[C@H]1CCCN(CCI)C1	190857189	HUBXYAWVAPGLHH-SECBINFHSA-N	310.179	1.399	50	20	DDGD	
COCc1cccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)c1	83678566	LWEFUMQFQXLLDQ-JTQLQIEISA-N	307.419	1.740	50	20	DDGD	
CC(C)OCCCNC(=O)/C(C#N)=C\c1cn(C(C)(C)C)nn1	191260022	XKKFAXHNSHIUPO-LCYFTJDESA-N	319.409	1.871	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccc(C)c(O)c2)cc1	190215019	CJKHCMXMGKXCKT-UHFFFAOYSA-N	314.341	1.849	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=S)N[C@H](C)C2CC2)c1	83678455	PDFQJVUPCPBOAT-LLVKDONJSA-N	321.446	1.922	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cccc(-n2ccnn2)c1	191906187	PMOARBKVQLDKHI-UHFFFAOYSA-N	320.316	1.067	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ncccc2C)c(O)c1	145721728	FVZMLYVMDQUESH-UHFFFAOYSA-N	300.318	1.871	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNC(=O)Cc2ccncc2)ccn1	268380773	UPYQCWZMXGCVLR-UHFFFAOYSA-N	314.345	1.268	50	20	DDGD	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)[C@H]1CCCCO1	269366532	WCVAXHIIPRECIS-BXUZGUMPSA-N	317.345	1.042	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(SC)c1	274106172	YFKTZCRVYDHRAO-VIFPVBQESA-N	309.391	1.541	50	20	DDGD	
Cc1c(NNC(=O)N[C@H](C)C[S@](C)=O)cccc1[N+](=O)[O-]	273355597	CQMMANFKQYDQLV-ZEDNOMKYSA-N	314.367	1.296	50	20	DDGD	
O=C(NNS(=O)(=O)CCC1CC1)c1ccc(Cl)cc1O	271244909	FUMYZEWAZQLNQC-UHFFFAOYSA-N	318.782	1.410	50	20	DDGD	
CC(=O)Nc1ccc(S(=O)(=O)N2CC=C(C#N)CC2)cc1	272834349	QKHVKPASDHNWFX-UHFFFAOYSA-N	305.359	1.489	50	20	DDGD	
O=S(=O)(CCCCCl)NCc1cn2ccsc2n1	275681709	CHPSJQWOYPUXCR-UHFFFAOYSA-N	307.828	1.834	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNc1cc(Cl)nc(C)n1	270785767	UFSGINALVMLNRO-UHFFFAOYSA-N	300.746	1.471	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@H]2CCCCS2)c1	273046463	HAZGMBAVNOSRCA-CYBMUJFWSA-N	323.418	1.540	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1cnc2n1CCCC2	371026837	XFCSNBXCGJLDHX-UHFFFAOYSA-N	316.336	1.362	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)CCc1ccccc1O	280791453	USPFNZJGPRBWGE-AAEUAGOBSA-N	318.373	1.478	50	20	DDGD	
O=C(CC[C@H]1Cc2ccccc2NC1=O)NNC(=O)CC1CC1	294001888	APDORTPOYUGQQQ-ZDUSSCGKSA-N	315.373	1.525	50	20	DDGD	
COc1ccc([N+](=O)[O-])c(C(=O)NNc2ncccc2F)c1	804213256	JEYLGJVEQJISLS-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
O=C(NNc1cccc(F)n1)C(=O)Nc1cccc2c1OCO2	807390698	LAGXHLWFDTWGIE-UHFFFAOYSA-N	318.264	1.031	50	20	DDGD	
CC(C)(C)OC(=O)NC1(C(=O)NNc2cnccn2)CCC1	294762136	BHNMYYXKXRMERY-UHFFFAOYSA-N	307.354	1.367	50	20	DDGD	
O=C(NNc1ncccc1F)c1cnc(C(F)(F)F)nc1	804212863	CKRKRFJHWHAZDQ-UHFFFAOYSA-N	301.203	1.786	50	20	DDGD	
Cc1ccc2[nH]c(C(=O)NNC(=O)N3CCN(C)CC3)cc2c1	807381242	KLAYGQNFWBXLMH-UHFFFAOYSA-N	315.377	1.078	50	20	DDGD	
Cc1ccc([C@@H](CNC(=O)NNC(=O)CC(C)C)N(C)C)cc1	299352170	QVUYZUCWHIQJJG-OAHLLOKOSA-N	320.437	1.974	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N2C[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2)cc1	296223411	DWIPNKKKPGUJMC-YHUYYLMFSA-N	322.368	1.667	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)COc1cccc(C)c1)C1CC1	296168228	KZTXZANCEGKYAC-CQSZACIVSA-N	321.377	1.129	50	20	DDGD	
CC(=O)NCc1ccc(C(=O)NNC(=O)OC(C)(C)C)cc1	299305564	LDLHMDOSVUZYPM-UHFFFAOYSA-N	307.350	1.492	50	20	DDGD	
COc1cc(CC(=O)NNc2cccc(F)n2)cc(OC)c1O	804769740	MHEBYUWOAWOBAR-UHFFFAOYSA-N	321.308	1.629	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cnc(C2OCCO2)s1	806442494	GHZXYWPSXBOHEC-UHFFFAOYSA-N	311.363	1.140	50	20	DDGD	
C=CCN1CCC(NC(=O)NNc2ncc(F)cc2F)CC1	297598502	IYNKOEMWHKXKST-UHFFFAOYSA-N	311.336	1.636	50	20	DDGD	
O=C(NNC(=O)c1cc(CN2CCCC2)on1)NC1CCCC1	291493969	LWKQDUIOYLAHGT-UHFFFAOYSA-N	321.381	1.157	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)C[C@@H]2CCc3ccccc3C2)O1	294095585	DFDSCQAABAGIKZ-ZENOOKHLSA-N	316.401	1.897	50	20	DDGD	
CO[C@H](C)CCNC(=O)NNC(=O)Nc1cc(F)cc(F)c1	296590218	IYJFZNQZHVPBHZ-MRVPVSSYSA-N	316.308	1.726	50	20	DDGD	
CCC[C@H](C(=O)NNC(=O)c1cc(C)[nH]n1)c1ccccn1	807084220	IQABGSVLOWBADL-NSHDSACASA-N	301.350	1.458	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NN=c1cc[nH]c2ccccc12	809670141	JEHDKXXGDVFGLF-NSHDSACASA-N	301.346	1.689	50	20	DDGD	
Cc1ccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1F	298114045	XTPZHDUBSMOWDP-LBPRGKRZSA-N	314.382	1.240	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1	299270239	IWBIGJRTYQQMPV-LBPRGKRZSA-N	318.377	1.168	50	20	DDGD	
CCc1c(C(=O)NNC(=O)[C@@H]2CCCO2)oc2ccccc12	295261922	GXXOBIXYTDSLNU-ZDUSSCGKSA-N	302.330	1.935	50	20	DDGD	
Cc1c(CC(=O)NNc2ccnc(Br)c2)cnn1C	816156688	DHWDVFHQBFVPIW-UHFFFAOYSA-N	324.182	1.572	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1c[nH]c2ccc([N+](=O)[O-])cc12	814954619	JDGJKBKJOQKJEM-UHFFFAOYSA-N	312.289	1.492	50	20	DDGD	
CC(=NNC(=O)c1c(C)nc2ccccn12)c1csnn1	814718314	RMRAVFAPYWAVQZ-UHFFFAOYSA-N	300.347	1.648	50	20	DDGD	
C[C@H]1C(=NNC(=O)Cc2cc[nH]n2)CC[C@H](C(=O)O)C1(C)C	814958119	ZOOSNCCDGSKAFV-GXSJLCMTSA-N	306.366	1.581	50	20	DDGD	
O=C(NCCCC1(O)CCC1)NNc1cccc([N+](=O)[O-])c1	817790542	YQDWWAQOLPKVGN-UHFFFAOYSA-N	308.338	1.916	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=C1CC[C@@H](C(=O)O)c2ccccc21	815001261	BSHPFIAZOPHKFK-CQSZACIVSA-N	324.340	1.991	50	20	DDGD	
Cc1cc(C(=O)NNc2cnnn2C)c(C)cc1Br	816770227	OPTMIBGNKJTNKT-UHFFFAOYSA-N	324.182	1.951	50	20	DDGD	
CN(C)C(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)s1	812266829	DARIHOXBRKQSKZ-UHFFFAOYSA-N	317.314	1.231	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)c1c(C)nc2ccccn12)C1CC1	812453034	PBRZACGDRAFKCN-INIZCTEOSA-N	316.361	1.219	50	20	DDGD	
C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)NNC(=O)CC(F)(F)F	812430570	NIWJVQHOYCUQFE-WRWORJQWSA-N	317.267	1.791	50	20	DDGD	
O=C(Cc1csc(-c2cccs2)n1)NNc1nc[nH]n1	816632906	DXSICGDNHMASGX-UHFFFAOYSA-N	306.376	1.676	50	20	DDGD	
CC1(C)CC(=NNC(=O)C(=O)N2CCCC2)c2sccc2O1	814824735	ILLNYRDJHBDTHZ-UHFFFAOYSA-N	321.402	1.752	50	20	DDGD	
Cn1nncc1NNC(=O)c1cc(-c2cccc(Cl)c2)on1	816770754	KPKOEEWVNQXHEH-UHFFFAOYSA-N	318.724	1.880	50	20	DDGD	
O=C(Cc1cc(F)cc2c1OCOC2)NNc1ncncc1F	817079720	YDNPVPKVCZNIDF-UHFFFAOYSA-N	322.271	1.307	50	20	DDGD	
C[C@@H]1CCCC[C@H]1C(=O)NNC(=O)COc1ccccc1O	819252803	XUKRBTZPMGKOBA-VXGBXAGGSA-N	306.362	1.745	50	20	DDGD	
CC(C)(C#N)[C@@H]1CCCC1=NNC(=O)[C@@H]1CCS(=O)(=O)C1	814782068	RAKYOGSPQGSDBR-GHMZBOCLSA-N	311.407	1.243	50	20	DDGD	
O=C(CCc1ccccc1O)NN=Cc1ccc(O)c(O)c1O	729935218	NTKSDMHYWHOQJI-UHFFFAOYSA-N	316.313	1.592	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1cc2n(n1)CCC2	822212595	YCPFVTXITGQVIZ-UHFFFAOYSA-N	318.764	1.486	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CCCCN2C)c1F	823435572	SGZUPXULOISJJW-LBPRGKRZSA-N	309.341	1.540	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C1(C(=O)OC(C)(C)C)CC=CC1	820709480	DWHSMPNCWIGERA-UHFFFAOYSA-N	310.394	1.858	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)NCCCOC(C)C)cn1	490909352	MYMUOTFGNZISHW-NTEUORMPSA-N	303.362	1.928	50	20	DDGD	
CC(C)c1ncncc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	824364457	HQWPICIFKWMYBE-UHFFFAOYSA-N	324.348	1.537	50	20	DDGD	
CC(C)Cc1ncc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)s1	823475574	QDMJZPDERYAIEG-ZJUUUORDSA-N	311.407	1.528	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1	491343395	ZLCWEWAGKSKZFS-UHFFFAOYSA-N	320.305	1.199	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1ccc([C@H]2C[C@H]2C)o1	825681052	FNNLHHPSBOXWOY-DNIRFERGSA-N	321.377	1.658	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCc2ccccc2O)c1	729048345	BEYUMXXTMHGBLW-UHFFFAOYSA-N	310.313	1.408	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@]3(O)CCSC3)nc12	828362286	GHDCBUWMFBUJES-ZDUSSCGKSA-N	309.416	1.916	50	20	DDGD	
CSc1ccc(CCCC(=O)N2CC[C@H](B(O)O)C2)cc1	585065593	ZPGBRDKBLLRNBB-ZDUSSCGKSA-N	307.224	1.807	50	20	DDGD	
COc1cc(NCc2cccc(B(O)O)c2)ccc1OC(C)C	585036259	GNRMHHUYHQCFMU-UHFFFAOYSA-N	315.178	1.774	50	20	DDGD	
COC(=O)N(C)NC(=O)CC1(CNC(=O)OC(C)(C)C)CC1	495899404	ZDZWZCMYPVNVSV-UHFFFAOYSA-N	315.370	1.411	50	20	DDGD	
OB(O)c1cccc(-c2noc(-c3coc(CC4CC4)n3)n2)c1	585051760	DEKGOVTXNLNTEQ-UHFFFAOYSA-N	311.106	1.024	50	20	DDGD	
COCCN(CCC(=O)OC(C)(C)C)S(=O)(=O)CCl	908276665	HYOVVIXRQLMQNG-UHFFFAOYSA-N	315.819	1.193	50	20	DDGD	
CCCCOc1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cc1OC	585074345	LFYNNPRFDAMBAI-CYBMUJFWSA-N	321.182	1.563	50	20	DDGD	
Cc1cc([C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C2)cs1	584977193	NKLBINCUOKXKHG-ZDUSSCGKSA-N	315.203	1.366	50	20	DDGD	
CC(=NNC(=O)NCCNC(=O)OC(C)(C)C)c1ccncc1	491441246	RSDRHXQHNRZIQP-UHFFFAOYSA-N	321.381	1.630	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCO1	824864514	BKAFMMLFCPNBPO-GXSJLCMTSA-N	302.338	1.125	50	20	DDGD	
COc1ccc(Cl)cc1NCCC(=O)NN(C)[C@H](C)CO	823965397	MCJSYXSELZZTCS-SNVBAGLBSA-N	315.801	1.494	50	20	DDGD	
C[C@H](C(=O)N1CC[C@@H](B(O)O)C1)c1ccccc1C(F)(F)F	585067843	WBHVSPYRJVDMNI-VHSXEESVSA-N	315.100	1.884	50	20	DDGD	
O=C(C[C@H]1CCc2ccccc21)NNC(=O)[C@@H]1CCCCO1	833250879	NKZKYTRJTQXTRA-HIFRSBDPSA-N	302.374	1.823	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)CCOc2ccccc2)no1	900434968	CKCBTLURZKWJFC-UHFFFAOYSA-N	303.318	1.467	50	20	DDGD	
COCCCCNC(=O)NNc1ccc(F)c(C(=O)OC)c1	837545556	GTXOJCAKHAWTSY-UHFFFAOYSA-N	313.329	1.665	50	20	DDGD	
COc1ccc(-c2cc(C(=O)NCB(O)O)sc2C)cc1	585059100	ZFYLOLWYJSKCKS-UHFFFAOYSA-N	305.164	1.474	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(F)c(F)c1	730577516	VHODKBPWRVJSEP-SNVBAGLBSA-N	316.329	1.240	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc(F)cc1C#N	831535471	WRAMZKWBOQFVJG-KWQFWETISA-N	306.297	1.275	50	20	DDGD	
Cc1nc2ccccc2cc1C(=O)NNC(=O)[C@@H]1CCCCO1	833257702	ZLYUDHRXQHQTGO-HNNXBMFYSA-N	313.357	1.873	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NC[C@H]2CCCS2)cc1	836357940	MIKNWARVSCVOML-GFCCVEGCSA-N	324.406	1.927	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)Cc2cc(O)nc(S)n2)cc1	730588418	YHYCCGOABXQXJM-UHFFFAOYSA-N	313.342	1.035	50	20	DDGD	
COc1cc(C=NNC(=O)C2CCC2)cc(OC)c1OC(C)=O	731935883	AWDZDYOSGHWPLM-UHFFFAOYSA-N	320.345	1.879	50	20	DDGD	
CC(C)(C)n1cc(NC(=O)NNC(=O)[C@@H]2CCCCO2)cn1	836435001	ODMWJCFKPHFUII-NSHDSACASA-N	309.370	1.360	50	20	DDGD	
COC(=O)c1cc(OC(=O)c2cnsn2)ccc1[N+](=O)[O-]	732653441	TZCZSEGZRHBHHI-UHFFFAOYSA-N	309.259	1.452	50	20	DDGD	
N#CC1CCC(CNC(=O)NNC(=O)[C@H]2CCCCO2)CC1	836446857	ZRSOOUBFOLSGQU-WXRRBKDZSA-N	308.382	1.216	50	20	DDGD	
CC1(C)Cc2cccc(C=NNC(=O)C(=O)NC3CC3)c2O1	737427449	LRDDGGLNIRANOO-UHFFFAOYSA-N	301.346	1.129	50	20	DDGD	
CS[C@@H]1CCCC(=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1	901172630	JKSGQUOVPZPOOA-GHMZBOCLSA-N	319.452	1.134	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@H](C(=O)O)C1)c1ccccc1F	833149082	DFQXFTIOVGILHN-ZJUUUORDSA-N	308.309	1.478	50	20	DDGD	
COc1cc(C)cc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1C	831742172	VPLJSRQNASVFLZ-RYUDHWBXSA-N	321.377	1.890	50	20	DDGD	
C[C@@]1(C(=O)N2CCC(n3ccnn3)CC2)C[C@@H]1Br	907084517	ATCZQZXAUFERMI-CMPLNLGQSA-N	313.199	1.615	50	20	DDGD	
C[C@H]1CC[C@H](CNC(=O)NNC(=O)c2ccc(Cl)cc2)O1	838743822	ZRUYEKNUZQEIFU-JOYOIKCWSA-N	311.769	1.852	50	20	DDGD	
CS(=O)(=O)c1ccc(C(=O)NNc2ccc(F)cc2F)o1	733362353	ZFDZYLCVTXBRFJ-UHFFFAOYSA-N	316.285	1.718	50	20	DDGD	
O=C(O)[C@@H]1CCC[C@@H](C(=O)NN=c2cc[nH]c3ccccc23)C1	833183756	JFJJAMOHZOZRBG-VXGBXAGGSA-N	313.357	1.991	50	20	DDGD	
COc1cc(F)ccc1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	831202481	GZHIPIAVRJNPPP-WCBMZHEXSA-N	311.313	1.412	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)/C(F)=C/C2CCCCC2)CC1	830240733	LYEIPVKOOKLKPT-QBFSEMIESA-N	312.389	1.408	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)c1ccc(OC)c(OC)c1	742472109	KJSCNHTUAMTITR-UHFFFAOYSA-N	322.361	1.448	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)COC[C@H]2CCCO2)cc1	846374281	NKSCFVAYEALZEM-CQSZACIVSA-N	322.361	1.041	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1cccc(N2CCC2=O)c1	842562377	WPCBHBZKOMUFFK-SWLSCSKDSA-N	315.373	1.689	50	20	DDGD	
Cc1cscc1C(=O)NNC(=O)Cn1cnc2ccccc21	749329690	DAEGZDIRWQVQHV-UHFFFAOYSA-N	314.370	1.867	50	20	DDGD	
CCOc1cccc2[nH]cc(CC(=O)NN(C)C[C@H](C)O)c12	910159062	HFMZWDOUGJBMJO-NSHDSACASA-N	305.378	1.453	50	20	DDGD	
CC[C@H](C#N)C(=O)NNc1c(F)cc(C(=O)NC2CC2)cc1F	845858140	DSKOOSFOQGEPEO-MRVPVSSYSA-N	322.315	1.850	50	20	DDGD	
CCn1ccc(C(=O)NNC(=O)NCCc2cccs2)n1	843774733	HOXVYHOCTXPAGR-UHFFFAOYSA-N	307.379	1.151	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccnc(N(C)C)n2)cc1[N+](=O)[O-]	740105101	XMYQSTMIQRKAFD-UHFFFAOYSA-N	316.321	1.516	50	20	DDGD	
CCn1ncnc1C=NNC(=O)c1cc(OC)cc(OC)c1	848401418	XKVGZBBXJSRPQU-UHFFFAOYSA-N	303.322	1.079	50	20	DDGD	
Cc1cc(C(=O)NNc2cccc(C#N)c2)ccc1-n1cnnn1	748041617	RXLQCOFTTUNOBR-UHFFFAOYSA-N	319.328	1.599	50	20	DDGD	
Cc1[nH]c2c(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)cccc2c1C	843971007	AHMHIIGGNZGTFB-WCQYABFASA-N	315.373	1.971	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@H]2CCC[C@@H]2C2CC2)n1	840394840	QJIBMHORULKCQW-NWDGAFQWSA-N	305.382	1.938	50	20	DDGD	
CS(=O)(=O)N1CCC(CC(=O)NNc2ccccc2)CC1	847600025	ZTDJHFOGJQUSFE-UHFFFAOYSA-N	311.407	1.191	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)C1CCCC1	914843158	AGNMBCUDTDSSCW-HZMBPMFUSA-N	304.346	1.553	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCC(=O)C2)cc1C	843753013	IDAYLHWPTUNWIW-LBPRGKRZSA-N	304.346	1.199	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=S)Nc1ccc([N+](=O)[O-])cc1	843276593	DJVRIQMQMQDNJN-LDYMZIIASA-N	324.362	1.337	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)C	843850628	VJDJAWBREJTISI-JTQLQIEISA-N	301.387	1.293	50	20	DDGD	
O=C(NCCc1cccs1)NN=Cc1ccc(O)c(O)c1O	920831677	XHVPBMTYODNNTG-UHFFFAOYSA-N	321.358	1.741	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1nccc2ccccc12	740763305	GDKCYAGBPRUXSP-UHFFFAOYSA-N	312.373	1.990	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1noc2c1CCCCC2	843656375	MQSVNDLKIRDGCC-ZJUUUORDSA-N	307.350	1.130	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(C(F)(F)F)o1	843655439	JTYWIZPYKVRIGJ-SFYZADRCSA-N	320.267	1.793	50	20	DDGD	
CC(C)N1CCC[C@H]1C(=O)NNC(=O)c1cccc(Cl)c1	929259281	WGCARLFZSQZQNM-ZDUSSCGKSA-N	309.797	1.974	50	20	DDGD	
C[C@H](O)CC(C)(C)CNC(=O)NNc1ncc(Cl)cn1	856868394	BGSMYJQRKOONGI-QMMMGPOBSA-N	301.778	1.553	50	20	DDGD	
COc1cc(OC)nc(C(=O)OC[C@@H](C)CBr)n1	923365311	DZQOSQVOHGRHEU-ZETCQYMHSA-N	319.155	1.682	50	20	DDGD	
COc1cc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)ccc1C	853390381	WEFNCJBHJMLKKK-ZBFHGGJFSA-N	317.389	1.317	50	20	DDGD	
Cn1nc(C(=O)NNC(=S)NC(C)(C)C)cc1C(F)F	929427341	IMYZUSBKMXEKEK-UHFFFAOYSA-N	305.354	1.265	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1CC(C)(C)OC1(C)C	755886448	NIORBAGJLYIGAP-GFCCVEGCSA-N	311.426	1.404	50	20	DDGD	
O=C(NCC1SCCS1)NNc1ncncc1Cl	852668186	AENUUEUJBMSNRQ-UHFFFAOYSA-N	305.816	1.562	50	20	DDGD	
O=C(Cc1n[nH]c2c1CCCC2)NNC(=O)OCC(F)(F)F	856022954	SBERGABCIKZMAU-UHFFFAOYSA-N	320.271	1.151	50	20	DDGD	
CO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2C)C1(C)C	753425308	NBYLWRSJIKWMPU-CHWSQXEVSA-N	305.378	1.753	50	20	DDGD	
COc1cncnc1NC(=O)NC[C@@]1(C)C[C@@H]1Br	856868604	CVYDFBDQNRRDQC-GZMMTYOYSA-N	315.171	1.780	50	20	DDGD	
O=C(NCCO[C@H]1CCOC1)NNc1ccc(Cl)cc1F	927526122	KXPMUPVNGMCSBI-JTQLQIEISA-N	317.748	1.911	50	20	DDGD	
CCOC(=O)NC1CCC(=NNC(=O)c2cnn(C)c2)CC1	853309185	JUCIGJIENUKJFM-UHFFFAOYSA-N	307.354	1.195	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)CC2OCCCO2)c1	753074439	AYBLULWUIHOAFK-UHFFFAOYSA-N	322.365	1.376	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NN=Cc2nccn2C(C)C)c1	853323563	ZHZJLSRXHPDIPO-UHFFFAOYSA-N	314.349	1.581	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2nc3ccc(Cl)cc3s2)CN1	856234368	WCKBMMRQJBOLBA-ZETCQYMHSA-N	324.793	1.919	50	20	DDGD	
C[C@]1(CCC(=O)NNc2cnnc3ccccc23)CCC(=O)N1	753433816	LMIPCFHCNFSASS-MRXNPFEDSA-N	313.361	1.522	50	20	DDGD	
C[C@H](CCc1ccccc1F)C(=O)NNC(=O)c1cc[nH]n1	855357586	MHDVLNISIUYLPS-SNVBAGLBSA-N	304.325	1.579	50	20	DDGD	
CN1CCc2ccc(NC(=O)NNC(=O)CC(F)(F)F)cc21	757913964	SZPWVVDERJIOQJ-UHFFFAOYSA-N	316.283	1.784	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2cnn(C(C)C)c2)n1	756827454	UOHJBLDLQNBJNW-UHFFFAOYSA-N	319.369	1.130	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2cnc([C@H]3CCCO3)s2)n[nH]1	755790671	QBMZKNYURNICME-LLVKDONJSA-N	305.363	1.790	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@]1(C(=O)O)CCOC1	852958162	FKLMJOIQELZMRT-WRWORJQWSA-N	308.172	1.156	50	20	DDGD	
Cc1cc(F)ccc1CCNC(=O)NNC(=O)CC(F)(F)F	756072165	YYUZZWXLJGTTMD-UHFFFAOYSA-N	321.274	1.959	50	20	DDGD	
CCN1CCC(CNC(=O)NNC(=O)c2ccc(C)o2)CC1	752924840	IERDQBKVLZZPKJ-UHFFFAOYSA-N	308.382	1.264	50	20	DDGD	
CCOc1c(Cl)cccc1CC(=O)NN(C)C(=S)NC	854919755	DUNRAAGLPBMCFW-UHFFFAOYSA-N	315.826	1.749	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc2ccn(CCOC)c2c1	757864165	XAAWDMQDBQGQCL-UHFFFAOYSA-N	304.350	1.850	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccccc1O[C@@H]1CCOC1	757679779	WQQUCEIFCANCKX-LLVKDONJSA-N	323.349	1.044	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cc2c(s1)CCC2)C1CC1	750828445	WLZAZRXPFXWTDD-UHFFFAOYSA-N	307.419	1.482	50	20	DDGD	
CC[C@@H](C)n1nc(C(=O)NNc2cc(Cl)nc(N)n2)cc1C	753454649	JIPJOOHHOFLMAF-SSDOTTSWSA-N	323.788	1.945	50	20	DDGD	
Cc1nc(N)nc(C)c1C(=O)NC[C@]1(C)C[C@@H]1Br	857734437	STGVCYXCGWICKI-UFBFGSQYSA-N	313.199	1.579	50	20	DDGD	
O=C(NCCOCC(F)F)NNc1ccc([N+](=O)[O-])cc1F	854016713	PGWHQNDQLKIGHQ-UHFFFAOYSA-N	322.243	1.642	50	20	DDGD	
CC1(C)CCN[C@H]1C(=O)NNc1ncc(Br)cn1	852896561	DTIIXBXNYBBNRJ-QMMMGPOBSA-N	314.187	1.070	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1c[nH]c2ncccc12	854280632	WZHNHJJHWVOICM-UHFFFAOYSA-N	321.406	1.051	50	20	DDGD	
CCOC(=O)Nc1ccc(F)c(C(=O)NN(C)CCOC)c1	935911200	DNCUTYUQJXWZJU-UHFFFAOYSA-N	313.329	1.617	50	20	DDGD	
O=C(NNc1cnccn1)[C@@H]1CCN(C(=O)c2ccccc2)C1	860937022	NPGHZXUUGLNJFE-CYBMUJFWSA-N	311.345	1.082	50	20	DDGD	
CCCCC(=O)N1CSC[C@@H]1C(=O)NN=c1cc[nH]c(C)c1	862511290	JYQYWGOGMMHUSJ-CYBMUJFWSA-N	322.434	1.347	50	20	DDGD	
O=C(NNC(=O)c1ccnn1CC1CCC1)OCC(F)(F)F	869281861	NVYPZCCNXGNIAX-UHFFFAOYSA-N	320.271	1.617	50	20	DDGD	
CSc1ccc(CCC(=O)NNC(=O)Cc2cc[nH]n2)cc1	932157661	NOEQRYAQOCRBHS-UHFFFAOYSA-N	318.402	1.454	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(OC(F)F)cc1)[C@@H]1CCC(=O)N1	860325399	HFVJJLPCFXYCII-KWQFWETISA-N	313.304	1.646	50	20	DDGD	
C[C@H](NNC(=O)C[C@@H]1C(=O)Nc2ccccc21)C(F)(F)F	862308531	FARIQLARXFFLAY-CBAPKCEASA-N	301.268	1.684	50	20	DDGD	
Cn1cc(C(=O)NN=C2CC[C@@H](NC(=O)OC(C)(C)C)C2)cn1	863093797	BGTHTNZKJCIBHG-LLVKDONJSA-N	321.381	1.583	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2cc(C)[nH]n2)c(C)c1	869014122	ODSSWBWPLYMQLP-UHFFFAOYSA-N	302.334	1.039	50	20	DDGD	
CC(C)[C@H]1C[C@H](C(=O)NNC(=O)NCc2ccco2)CCO1	930732280	FBXOVMVZEXFFFD-DGCLKSJQSA-N	309.366	1.561	50	20	DDGD	
C[C@@H]1CN(c2ccc(C(=O)NNC(=O)C3CC3)cc2)C[C@@H](C)O1	864443761	IHHRHPHTTGUAHL-VXGBXAGGSA-N	317.389	1.471	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)c2cccc(N(C)C)c2)c1C	864559645	MNISFNCOEYOMDG-UHFFFAOYSA-N	315.377	1.352	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccc(C)c(C)c1Cl	869907390	KIWHKEUPRZNCBZ-UHFFFAOYSA-N	314.769	1.381	50	20	DDGD	
NC(=O)C(=O)NN=Cc1ccc(OCc2cccc(F)c2)cc1	767033639	PTODTDWXAFUODO-UHFFFAOYSA-N	315.304	1.340	50	20	DDGD	
CC[C@@](C)(NC(=O)NNC(=O)c1cccc(F)n1)C(F)(F)F	933510859	YAEOLRPGDJWRSV-LLVKDONJSA-N	322.262	1.896	50	20	DDGD	
CN(CC(=O)NNc1nc2ccccc2[nH]1)[C@H]1CCSC1	768493682	AWVLEGHCGCKNLB-JTQLQIEISA-N	305.407	1.443	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H](C)OC2CCCCCC2)n[nH]1	869013713	HDHAELPGLYOWTF-GFCCVEGCSA-N	322.409	1.536	50	20	DDGD	
CC(C)OC(=O)[C@H](C)CNS(=O)(=O)CC(C)(C)CCl	866887238	SSSMHMFXKNVJBE-SNVBAGLBSA-N	313.847	1.759	50	20	DDGD	
CC(C)CC(=O)NN=Cc1c(Cl)nc(N)nc1N1CCCC1	863966603	HEUBNTFIOVMBEK-UHFFFAOYSA-N	324.816	1.809	50	20	DDGD	
CCCCS(=O)(=O)CC(=O)NNc1cc(F)c(F)cc1F	935022010	ABQCGBILIGKSHT-UHFFFAOYSA-N	324.324	1.762	50	20	DDGD	
COC(=O)c1ncoc1CCC(=O)NNc1cccc(C)n1	862518457	SSHYTFUBAPHCBY-UHFFFAOYSA-N	304.306	1.241	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21	862094467	ASPLKURIKKEGLU-AUSFTTLPSA-N	300.358	1.145	50	20	DDGD	
CCN1C[C@@H](C)N(C(=O)NNC(=O)c2ccccc2)C[C@@H]1C	765647290	ITCIGDNMKFVLSA-QWHCGFSZSA-N	304.394	1.456	50	20	DDGD	
CC(C)(C)NCCC(=O)NNC(=O)Nc1cc(F)cc(F)c1	935858020	MXTSMTPRTVJBHF-UHFFFAOYSA-N	314.336	1.896	50	20	DDGD	
CN(C)c1ccc2c(c1)NC(=O)C2=NNC(=O)C1CCCC1	761782675	XSWQUNKQACSROZ-UHFFFAOYSA-N	300.362	1.715	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NC1CCN(C2CC2)CC1	866443287	JARMUFWJKHLVPX-UHFFFAOYSA-N	308.875	1.798	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1nn(C)c2ccccc12	860540570	BWWCBWQNLYPVFC-UHFFFAOYSA-N	323.447	1.045	50	20	DDGD	
CCOc1cccc(NC(=O)NNc2nccnc2OC)n1	765320209	HFFNDOUYIRHMQD-UHFFFAOYSA-N	304.310	1.428	50	20	DDGD	
CCN1C[C@@H](C)N(S(=O)(=O)CC(C)(C)CCl)C[C@@H]1C	867033086	CBJJNFSURXHSSL-NWDGAFQWSA-N	310.891	1.996	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)c2cc(C)[nH]n2)[C@@H](C)C1	761266180	DYUVPONDCDYJLJ-ONGXEEELSA-N	306.366	1.803	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H]1C[C@H](C)O[C@H](C)C1	767216653	JVHNOJCYAWIAFE-ZSBIGDGJSA-N	321.377	1.595	50	20	DDGD	
CC(CCCCO)=NNC(=O)c1nn(-c2ccccc2)cc1O	766691612	ZLPNPDSFANYRJH-UHFFFAOYSA-N	316.361	1.846	50	20	DDGD	
CCOC(=O)/C=C/c1ccc(NC(=O)NN(C)C(=O)OC)cc1	878242871	WRNBBIXZLNJLCT-JXMROGBWSA-N	321.333	1.998	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCc2ccc(C)o2)cc1	876049263	WTTCCLBTFNKNAW-UHFFFAOYSA-N	317.345	1.806	50	20	DDGD	
O=C(NN=CCC[C@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1	768772871	KSMNOHLMKQCNRX-RFGFWPKPSA-N	312.435	1.740	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@H]1CCCN1C	873853745	AZVNUNIEWPXEFG-CYBMUJFWSA-N	320.462	1.969	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc(CC)c1O	772024240	LQWLZHPUNYUMJZ-VIFPVBQESA-N	308.334	1.057	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)/C=C\c1cccc(F)c1	771892047	PYENAFDVTBZUKB-DMEOUFDRSA-N	308.309	1.328	50	20	DDGD	
COC(=O)c1cc(OC(=O)[C@H]2CCO[C@H]2C)ccc1[N+](=O)[O-]	770732397	BGIWSIACWZUZBC-WPRPVWTQSA-N	309.274	1.712	50	20	DDGD	
CS[C@@H](C)CCC(=O)NNC(=O)c1c(C)nc2ccccn12	773209247	RFVMVEMCXVWCFP-JTQLQIEISA-N	320.418	1.935	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNc2ccccn2)c1F	770765833	QDJKFAXBQWSLNS-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
O=C(NNc1ccc(F)cn1)c1cc2c(nc1O)CCCC2	874649840	JNSDMXYUEUSGSH-UHFFFAOYSA-N	302.309	1.957	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2cncn2-c2ccccc2)CC1(F)F	1117995439	NELJPFUKHCUGGG-AWEZNQCLSA-N	320.299	1.679	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2cccc([S@](C)=O)c2)n1	770027761	VBDOQGNJYPIZCQ-QFIPXVFZSA-N	319.390	1.979	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)c1nc2ccccc2s1	874913600	FTUUDTPICSKKKV-ZJUUUORDSA-N	321.402	1.976	50	20	DDGD	
CC[C@H]1C[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)CCO1	779865863	SLWJSMUMMMYOEE-RYUDHWBXSA-N	320.345	1.382	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1c[nH]cc(Cl)c1=O	1116941967	BKXQOJWJIBWYFA-UHFFFAOYSA-N	315.720	1.728	50	20	DDGD	
CN1CCc2cc(C(=O)NNC(=O)CNc3ccccc3)ccc21	779371820	UUEVZONSNBGCEW-UHFFFAOYSA-N	324.384	1.552	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2ccc3c(c2)COC3)n1	770036290	QMYIVEWZQWLSGD-UHFFFAOYSA-N	313.361	1.950	50	20	DDGD	
CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NN(C)C(N)=O	778417155	OJCSMWHJIPRORZ-UHFFFAOYSA-N	312.351	1.751	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCc1ccc(OC)cc1	771873799	BTUPGMUZDHEWHQ-LLVKDONJSA-N	322.361	1.117	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)Cc1ccc(Cl)cc1	771886626	ZRRKMZMAAOMLBM-VIFPVBQESA-N	312.753	1.372	50	20	DDGD	
O=S(=O)(CCCCl)NCc1cccnc1N1CCCC1	882387234	BZUQPBJUYRPFIF-UHFFFAOYSA-N	317.842	1.730	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)N[C@H]1C[C@H]1C1CCCCC1	883458432	JKUDKXDMPAZWAN-AAEUAGOBSA-N	303.366	1.389	50	20	DDGD	
CC(C)c1cccc(CNC(=O)NNC(=O)c2cnn(C)c2)c1	773517679	PWOFRFWDFPSPJQ-UHFFFAOYSA-N	315.377	1.688	50	20	DDGD	
Cn1nnnc1SCCC(=O)NNc1ccc(F)c(F)c1	885110829	MCIZJJXZCUNRTO-UHFFFAOYSA-N	314.321	1.114	50	20	DDGD	
O=S(=O)(CCCCl)N1CCN(c2ccncc2)CC1	881764540	KXSMFUPWKVGCOQ-UHFFFAOYSA-N	303.815	1.162	50	20	DDGD	
O=C(Cc1ccncc1)NN=C1CCOC2(CCOCC2)C1	884433185	CAIIMTIOHVPWRH-UHFFFAOYSA-N	303.362	1.456	50	20	DDGD	
Cc1nc(-c2ccccc2NC(=O)NNC(=O)C2CCC2)no1	782555305	FCORAOGUNOVCNQ-UHFFFAOYSA-N	315.333	1.998	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1c(F)cc(F)cc1F	883065444	LMCGIASVZWHHGK-UHFFFAOYSA-N	302.252	1.292	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCc1cc(=O)n2ccsc2n1	786668131	DNQPHYDWPZITCZ-BJMVGYQFSA-N	301.327	1.659	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CC[C@H]2CO)c1C	889132852	RLYKWFVCUBEXMO-TYWAAFNRSA-N	317.389	1.252	50	20	DDGD	
O=S(=O)(CCCCl)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1	882189728	RQKIWACENMJTPC-RKDXNWHRSA-N	323.764	1.438	50	20	DDGD	
C=CCOc1ccccc1C(=O)NNC(=O)C1CCOCC1	883061066	HETOIILWJHXJMV-UHFFFAOYSA-N	304.346	1.439	50	20	DDGD	
CC(=NNC(=O)c1ccccn1)c1ccc(N2CCNC2=O)cc1	782097779	NSWYQSJKZVLSOV-UHFFFAOYSA-N	323.356	1.765	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC2CC2)c(OCC2CC2)c1	788501344	HILPGUNAYYJILQ-UHFFFAOYSA-N	319.361	1.590	50	20	DDGD	
Cn1nnc(CNC(=O)NNc2cc(Cl)ccc2Cl)n1	787436495	BEFLIAJSSVDZHT-UHFFFAOYSA-N	316.152	1.343	50	20	DDGD	
CSC1(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CC1	788684596	GWZDNBHYMGEPHN-UHFFFAOYSA-N	308.359	1.114	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)C1(c2ccccc2)CC1	788174927	OABHJEPRKBPASI-UHFFFAOYSA-N	320.356	1.837	50	20	DDGD	
CNC(=O)c1ccc(OS(=O)(=O)CBr)cc1	782414262	DUIKMMDEKXGDAN-UHFFFAOYSA-N	308.153	1.107	50	20	DDGD	
CN(NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)C1CC1	899170869	APZBXFYVDJIIQD-UHFFFAOYSA-N	315.333	1.579	50	20	DDGD	
C[C@H](Cc1cccc(O)c1)NS(=O)(=O)CBr	782454121	JFHREWFHSXUVAB-MRVPVSSYSA-N	308.197	1.595	50	20	DDGD	
CSSCCNC(=O)N1CCC(S(C)(=O)=O)CC1	790874340	AWOMIUWLXCYRMO-UHFFFAOYSA-N	312.482	1.216	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1cncc(Cl)n1	791066978	NFJKWRAQSLZKQE-UHFFFAOYSA-N	311.660	1.934	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC2C[C@@H](C)O[C@H](C)C2)n1	793028885	SBOFKXPYCQTULN-GHMZBOCLSA-N	306.366	1.290	50	20	DDGD	
C[C@H]1CC[C@@H](CNC(=O)NNc2ccc(-n3cccn3)nn2)C1	793464441	AMUOTDMBXOVYIG-NWDGAFQWSA-N	315.381	1.725	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)c1ccccc1	792775350	KNGBEEQHYZRAQJ-WLVUXSLRSA-N	308.381	1.842	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)N1CCc2cccc(C)c21	792379283	CJDDCVVHNAJIOV-UHFFFAOYSA-N	310.357	1.731	50	20	DDGD	
CCCC(=O)N1CSC[C@H]1C(=O)NCCSSC	791155795	VJKKSXTXTSMWFO-VIFPVBQESA-N	308.494	1.815	50	20	DDGD	
C[C@](O)(C(=O)NNc1cncc(Br)c1)C1CCC1	1326070575	IGKHHZUGCABNRT-GFCCVEGCSA-N	314.183	1.838	50	20	DDGD	
Cc1c(C(=O)NNc2ccnc(F)c2)cnn1C1CCOCC1	1320211622	OTMKNHDBHFIXKO-UHFFFAOYSA-N	319.340	1.834	50	20	DDGD	
Cc1nc([C@@H](C)NC(=O)NNC(=O)c2ccccc2C)no1	1322543409	NAMWEKSKBAHSNW-SECBINFHSA-N	303.322	1.392	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cn(C(C)C)cn2)cc1	1322574011	DMQJFYYQCJDOGG-UHFFFAOYSA-N	302.334	1.547	50	20	DDGD	
COc1csc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)c1	1323451121	KQHVROKLLYXQCF-UHFFFAOYSA-N	320.374	1.433	50	20	DDGD	
CN(C)Cc1cc(C(=O)NNc2cnnc3ccccc23)no1	1320141448	UAZGAIGTNKYCRO-UHFFFAOYSA-N	312.333	1.436	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2conc2COC)cc1	1324291581	RNDIEDNWKJDRRK-UHFFFAOYSA-N	303.318	1.458	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ncc(Cc2ccccc2)o1	1328071415	JXONESLSKWDXNZ-UHFFFAOYSA-N	318.402	1.783	50	20	DDGD	
O=C(NNC(=O)N1CCCOCC1)c1nc2ccccc2s1	1329799351	JZNGDBFAHSOXLS-UHFFFAOYSA-N	320.374	1.373	50	20	DDGD	
COc1cc2c(cc1OC)C(=NNC(=O)c1cccnn1)CC2	1330907980	KVIROBWVKUXSSW-UHFFFAOYSA-N	312.329	1.574	50	20	DDGD	
CC1(C)CN(C(=O)c2cccc(CCl)c2)CCN1CCO	1338961715	XCAHBTSTGFWCGY-UHFFFAOYSA-N	310.825	1.954	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C(C)c1ccnc(C)n1	1255779353	PKZAKYVUSHDGNV-UHFFFAOYSA-N	314.345	1.713	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@H](CC1CCC1)c1ccccc1	1337416692	ZKXHQKJLCPNIQC-CYBMUJFWSA-N	319.361	1.421	50	20	DDGD	
O=C(/C=C\c1nccs1)NNC(=O)NCCc1cccs1	1348602985	FFGFPGYADXVCDS-ARJAWSKDSA-N	322.415	1.791	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cnc([C@H]2CCCO2)s1	1341254549	DADNFKNNBZEHIZ-MRVPVSSYSA-N	314.436	1.512	50	20	DDGD	
C=C[C@H](COC)NC(=O)NNC(=O)[C@H](CC)c1ccccc1	1342727026	GXXVERSMALPWPP-ZIAGYGMSSA-N	305.378	1.712	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2cccnc2)c(Cl)n1	1520298865	FCPKUOLUBDYEDQ-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cn(-c3ccccc3)nn2)nc1	1602384037	BIHYUFPGJBGMMG-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
O=Cc1ccccc1OCC(=O)NNc1cccc(C(=O)O)c1	1602669030	VQHWNEGSJRATKS-UHFFFAOYSA-N	314.297	1.719	50	20	DDGD	
CC(C)(O)C1CCC(C(=O)NNc2ccc(C(=O)O)cn2)CC1	1603686995	ATFMTLAOARDYOY-UHFFFAOYSA-N	321.377	1.800	50	20	DDGD	
O=C(NNc1cnccn1)c1ccc(-c2nn[nH]n2)c(Cl)c1	1609559517	MGZZGWOLHPZQLX-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
CC(=O)Nc1cnccc1C(=O)NNc1ccccc1C(=O)O	1603083875	PMYJIGQMDOFROQ-UHFFFAOYSA-N	314.301	1.495	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNc1ccc(C(=O)O)cn1	1607936138	ZDAJXIBCJCSTLU-MRVPVSSYSA-N	317.349	1.757	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)C2(CF)CCOCC2)c(F)c1	1608904571	YYCWONIAEQJAAK-UHFFFAOYSA-N	314.288	1.733	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1nc2c(s1)CC[C@@H](C(=O)O)C2	1605618277	ICDUTBXVLIWHRQ-KGOFQHAKSA-N	321.358	1.715	50	20	DDGD	
N#Cc1cccc(NNC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)O)C[C@@H]23)c1	1601121680	REBFJLRBCFOOFD-WVWOOGAGSA-N	314.345	1.684	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccccc1S[C@@H](C)C(=O)O	1610187523	NFQSFCWVLWAJCI-QMMMGPOBSA-N	312.347	1.595	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C(=O)NN=CC1CCOCC1	1549310036	KSYLLGSETSELDT-UONOGXRCSA-N	320.393	1.416	50	20	DDGD	
CCc1[nH]c(C(=O)NNC(=O)C2CCCC2)c(C)c1C(=O)O	1610055855	XNQAPGQUDXUAMZ-UHFFFAOYSA-N	307.350	1.535	50	20	DDGD	
Cn1nncc1C=NNC(=O)[C@H]1CCCO[C@H]1c1ccccc1	1549082994	GSFOZPMNSNPSIS-GJZGRUSLSA-N	313.361	1.433	50	20	DDGD	
C[C@H](C=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1ccc(F)cc1	1549321480	SULGZHBCPUSUFC-UHOFOFEASA-N	319.380	1.894	50	20	DDGD	
C=CC[C@]1(C(=O)NNC(=O)C(C)(C)c2ccccc2)CCCN1	1574896940	BJZAWRRLJGMKKU-GOSISDBHSA-N	315.417	1.810	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1ccccc1-c1nn[nH]n1	1588775856	LQVYIYRERITHJL-CMPLNLGQSA-N	314.349	1.132	50	20	DDGD	
CC(C)O[C@@H]1CS(=O)(=O)C[C@@H]1I	158031736	VIUQLPKZZPAVEL-NKWVEPMBSA-N	304.149	1.012	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cnoc2)C1	1843474303	WKWWPTZPDDVGFQ-LLVKDONJSA-N	311.769	1.509	50	20	DDGD	
CC(C)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl	1847562324	BIXFSOZCYFJDIG-AVGNSLFASA-N	316.829	1.224	50	20	DDGD	
Cc1nc(C(=O)N2CCCC23CN(C(=O)[C@@H](F)Cl)C3)co1	1842455506	VSAYHDSZYOCHQX-SNVBAGLBSA-N	315.732	1.334	50	20	DDGD	
O=C(NNC(=O)[C@]1(C(=O)O)CC=CCC1)c1ccc(Cl)cc1	1594778974	GRDAETDWGGBIHA-HNNXBMFYSA-N	322.748	1.912	50	20	DDGD	
CCCc1cc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)no1	1590657093	HLMFKLDGJVRIEH-UHFFFAOYSA-N	313.321	1.564	50	20	DDGD	
O=C(NC[C@@]12CCC[C@@H]1C2)NNc1cccc(-c2nn[nH]n2)c1	1593114391	QQRVAOJMGGSGNV-ABAIWWIYSA-N	313.365	1.683	50	20	DDGD	
COCCn1cc(C(=O)NNc2ccc(C(=O)O)cc2F)cn1	1599271343	JZTXVLLDAXELDV-UHFFFAOYSA-N	322.296	1.124	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1ccc(C(=O)O)c(O)c1	1776120651	PNPBQTZOTIVSBD-XYOKQWHBSA-N	318.329	1.540	50	20	DDGD	
COc1cc(/C=C(\C#N)S(=O)(=O)N(C)C)ccc1C(=O)O	1777285185	DYFWJEMMZMKLFQ-UXBLZVDNSA-N	310.331	1.149	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2c(C)nc3ccccn23)c(C)o1	17581815	MLFUEYDFQQHTCG-UHFFFAOYSA-N	312.329	1.927	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)nc1	163574228	RGJNSOQBLBLWRP-UHFFFAOYSA-N	313.357	1.847	50	20	DDGD	
O=S(=O)(CCCCCl)NCCc1ccc(CO)cc1	155012478	PYYXYSWKOXSQIJ-UHFFFAOYSA-N	305.827	1.660	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNc1nccc(N(CC)CC)n1	155917260	UDHGXGWFNHUWFI-GFCCVEGCSA-N	309.414	1.971	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NNC(=O)c2ccc[nH]2)C1	159159064	JKKNSLXBGZKCKZ-VXGBXAGGSA-N	320.393	1.060	50	20	DDGD	
Cc1csc(CC(=O)N/N=C2/C(=O)Nc3cc(F)ccc32)n1	7325081	VIUKGUZUIIFHQC-UHFFFAOYSA-N	318.333	1.606	50	20	DDGD	
C[C@H](Br)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1	1857776816	WCKKPAIWXWSXCQ-VIFPVBQESA-N	321.215	1.849	50	20	DDGD	
Cn1cnnc1[C@@H]1CCCN1CCI	191019292	LMOAWHRXIDXLFJ-QMMMGPOBSA-N	306.151	1.387	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cnn(C)c2)c1C	8301592	IOQAFORMZADQFX-LBPRGKRZSA-N	316.361	1.265	50	20	DDGD	
O=C(CCCOCc1ccccc1)NNC(=O)c1cccnc1	50535990	IHXSMZQABZTOMU-UHFFFAOYSA-N	313.357	1.840	50	20	DDGD	
O=C(C[C@H]1OCCc2ccccc21)NNC(=O)c1ccncc1	115314381	UPYHNBXVLVDYGI-OAHLLOKOSA-N	311.341	1.547	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cnc3n[nH]c(C)c3c2)n1	174495385	MPBOUHSBBWYITR-UHFFFAOYSA-N	313.321	1.130	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCc1cccc(O)c1	57184397	XSWSPELPJNIQDZ-UHFFFAOYSA-N	317.320	1.604	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCc1ccco1	55083906	LAGDYRNCBSFAQW-UHFFFAOYSA-N	303.318	1.361	50	20	DDGD	
CCS(=O)(=O)C[C@H](C)NC(=O)NNc1c(F)cccc1F	118580649	XVVVOTKPLOPNHH-QMMMGPOBSA-N	321.349	1.414	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NC[C@H]1CCCN(C)C1	108590649	HBIHVAHEVWRUBK-CYBMUJFWSA-N	319.409	1.673	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC(C)(C)c1cccc(F)c1	118585367	VJQOISKRDYVRTL-UHFFFAOYSA-N	311.357	1.470	50	20	DDGD	
NC(=O)c1ccc(CNC(=O)NNc2cncc(Cl)n2)cc1	119824777	CHBGKDTWWTVXTE-UHFFFAOYSA-N	320.740	1.055	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NCc1ccccn1	69164237	AFAVMAQTPCAYHF-UHFFFAOYSA-N	312.373	1.935	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2CSc3ccccc32)cn1	118230343	CWGXOHXCHMCZSJ-LLVKDONJSA-N	302.359	1.071	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)C1(O)CCC1	119066962	GKDDDCBAZOFATD-UHFFFAOYSA-N	306.406	1.655	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCN(CC#N)CC2)cc1	174346089	KWLOQDITJHBMNQ-DTQAZKPQSA-N	324.384	1.660	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)[C@H]1Cc2ccccc2O1	171357965	YQDIRAVXBQRYFK-CYBMUJFWSA-N	323.312	1.578	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cccc(F)c2F)nc1	124301236	ZOQQINNPUDLEGK-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
NC(=O)NCCCCC(=O)NNc1cccc(C(F)(F)F)c1	61038099	IYXVQRKKTNYHMS-UHFFFAOYSA-N	318.299	1.987	50	20	DDGD	
O=S(=O)(CBr)N1CCN(Cc2ccco2)CC1	127143718	HALQESZJIVTFMG-UHFFFAOYSA-N	323.212	1.079	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)N1CCc2c(Cl)cccc21	124655710	FGHXKEYCZOMSOW-SECBINFHSA-N	323.780	1.423	50	20	DDGD	
C=C[C@](C)(CCOC)C(=O)NNC(=O)c1ccccc1OC	188649736	DCTCABPXQPEQEF-MRXNPFEDSA-N	306.362	1.685	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1cc(Cl)ccc1F	180965996	URBSFKJNNCHANV-UHFFFAOYSA-N	315.732	1.611	50	20	DDGD	
C[C@H](CN1CCOCC1)NC(=O)/C(C#N)=C\c1ccc(O)cc1	188193635	VAOIXIGGISAZKZ-NWFCWYBLSA-N	315.373	1.136	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1cnc(C2CC2)nc1	184924325	TVMCQRBUEWYCBT-UHFFFAOYSA-N	312.333	1.144	50	20	DDGD	
CCn1cc(NC(=O)NNC(=O)CC2CCCC2)ccc1=O	184540374	XJQFYOXVPMPRTF-UHFFFAOYSA-N	306.366	1.601	50	20	DDGD	
CN(C)CC(=O)NNC(=O)C(C)(C)Oc1ccc(Cl)cc1	75653096	UEOJANBEMUBVCK-UHFFFAOYSA-N	313.785	1.206	50	20	DDGD	
CC[S@](=O)c1ccccc1C(=O)NNC(=O)c1ccc[nH]1	135052312	GRXAZWJZBNNGGC-OAQYLSRUSA-N	305.359	1.217	50	20	DDGD	
CC(C)C[C@@H](C)OCCC(=O)NNc1ncnc2[nH]cnc12	88381866	RLPGBTNJLDRDKD-SNVBAGLBSA-N	306.370	1.637	50	20	DDGD	
Cc1cnn(CCC(=O)NNC(=O)c2cc(Cl)ccc2O)c1	80286834	WJMVJQNGZROHDK-UHFFFAOYSA-N	322.752	1.402	50	20	DDGD	
CC(C)OCCCNC(=O)NNC(=O)CCc1ccccc1	195159597	UYHXVVUABURTBO-UHFFFAOYSA-N	307.394	1.765	50	20	DDGD	
CC[C@H](C)NC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O	42844768	SUCYINLRMPWGPA-JTQLQIEISA-N	317.349	1.320	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc3c([nH]c2=O)CCCC3)o1	84373744	QZFBVFHDSLPGND-UHFFFAOYSA-N	315.329	1.230	50	20	DDGD	
O=C(CN1CSCC1=O)NNc1ccccc1C(F)(F)F	45480812	QIUUGTBPAZEINF-UHFFFAOYSA-N	319.308	1.681	50	20	DDGD	
O=C(NNC(=O)c1ccc(C(F)(F)F)nc1)c1ccncc1	192791810	PZIUCRRXXGKBNY-UHFFFAOYSA-N	310.235	1.570	50	20	DDGD	
C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NNC(=O)c1ccncc1	194784401	KHPPAPJHNKKBDA-SECBINFHSA-N	321.283	1.588	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1ccnc(OC2CCC2)c1	90019394	KKFNPAQBOHVUKQ-UHFFFAOYSA-N	300.318	1.416	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNc2cc(C#N)cc(Cl)n2)C1	93546978	VQVVBHFFMBULBH-JTQLQIEISA-N	321.768	1.308	50	20	DDGD	
Cc1ccc(NC(=O)NNc2cnccn2)cc1C(=O)N(C)C	92928011	ZVRYRAFFNVZKGW-UHFFFAOYSA-N	314.349	1.635	50	20	DDGD	
COc1ccc(C=NNC(=O)c2cc(C)n[nH]2)cc1[N+](=O)[O-]	254798475	OJKMVWRNILRKRM-UHFFFAOYSA-N	303.278	1.399	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNC(=O)c1ccccc1C	264300816	RSVBPPUBQRBPGW-UHFFFAOYSA-N	307.350	1.234	50	20	DDGD	
C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NNC(=O)CN(C)C	263906866	HJMVEONMLJELJX-GFCCVEGCSA-N	321.421	1.460	50	20	DDGD	
CC[C@@H](Oc1ccccc1C)C(=O)NNC(=O)N1CCOCC1	267244317	JNELDFMCQQMLFK-CYBMUJFWSA-N	321.377	1.225	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C[C@@H]2CCCCO2)c1	268059587	TYRGKEQJSXQJEO-AWEZNQCLSA-N	321.377	1.214	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCCCO1	269368508	RUGLTLHSHYTLJJ-AWEZNQCLSA-N	322.361	1.181	50	20	DDGD	
CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)NCCCOC	267205995	QBBMIDMRVCYCAX-CQSZACIVSA-N	323.393	1.519	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNc2nc(O)c3ccccc3n2)CCO1	272077128	QMDGZDZRPUQHRI-ZJUUUORDSA-N	302.334	1.594	50	20	DDGD	
CCCSc1nsc(NC(=O)NNc2cnccn2)n1	271534902	YHLKRPSPFJBMSU-UHFFFAOYSA-N	311.396	1.979	50	20	DDGD	
O=C(NNc1cccc(C(F)(F)F)n1)[C@H]1C[C@@]12CCOC2	364087845	VBLHDVNVURKJJP-PRHODGIISA-N	301.268	1.970	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc(C(=O)N(C)C)c1	273326435	MIHQYZOWRFQUAA-SNVBAGLBSA-N	306.366	1.587	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccccc1Cn1cncn1	271231560	DHXNCIKLQIWHRQ-UHFFFAOYSA-N	316.365	1.525	50	20	DDGD	
Cc1cccnc1NNC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O	276656792	BEKRZFBXJBICBM-TXEJJXNPSA-N	316.361	1.008	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)n1	272522509	KBLWTFUJPAOBTF-JQWIXIFHSA-N	305.382	1.199	50	20	DDGD	
Cn1ncc2c1C[C@@H](C(=O)NNc1ccc(Cl)nn1)CC2	282035433	QKVFCZIMRVJUQO-QMMMGPOBSA-N	306.757	1.112	50	20	DDGD	
CSCC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	282823072	OHMOQCUSUKODJA-UHFFFAOYSA-N	323.418	1.470	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Nc1cncc(F)c1	286889158	YHVOYBOGVUXORD-UHFFFAOYSA-N	314.317	1.163	50	20	DDGD	
CCCCOCC(=O)NNC(=O)Nc1cc(F)cc(F)c1	283678092	HCHXQJHUZBFLCG-UHFFFAOYSA-N	301.293	1.934	50	20	DDGD	
CC(C)(O)CC(=O)NNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1	281575271	MROPJLZMPBNZGO-UHFFFAOYSA-N	320.324	1.138	50	20	DDGD	
Cn1cc2c(n1)CCC[C@H]2NS(=O)(=O)CBr	282624930	MWIJBROGXXMQQU-SECBINFHSA-N	308.201	1.069	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCSSC)n1	284281701	SCQJDMQAFCYIIR-UHFFFAOYSA-N	303.413	1.431	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)CSc1ccccc1O	282646429	ZTEUWHKDQYVGIW-IMSIIYSGSA-N	324.402	1.445	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cnn(C)c1-c1ccccc1	288814852	GFOCVLHUVCQLMT-UHFFFAOYSA-N	316.365	1.785	50	20	DDGD	
O=C(NNC(=O)c1snnc1C1CC1)c1ccc(Cl)nc1	289563625	RFKUUXBFGNZBHM-UHFFFAOYSA-N	323.765	1.539	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCC(C)(C)C[C@@H](C)O)n1	280402329	VREXUFHADJARGP-LLVKDONJSA-N	308.382	1.131	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1nccnc1C1CCC1	286875020	DRDRSIWSZRLMME-UHFFFAOYSA-N	307.354	1.323	50	20	DDGD	
CC(C)NC(=O)N1CCC[C@H]1C(=O)N(C)CC(Cl)Cl	808247903	VIGXTMAMMGUPSP-VIFPVBQESA-N	310.225	1.831	50	20	DDGD	
Cc1cc(C)cc(CCNC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	297142714	HQZITQWUIJEJHA-ZFWWWQNUSA-N	319.405	1.744	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@@H]1CCC[C@@H]2OCC[C@H]21	298110178	YOAXWLFTLVHNLF-WCQGTBRESA-N	312.320	1.944	50	20	DDGD	
CC(C)OCc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	294350065	UPNJOMKCEVQKDZ-WFASDCNBSA-N	320.389	1.940	50	20	DDGD	
CC1(C)CC(CNC(=O)NNc2ccc(-n3ccnc3)nn2)C1	805320490	JPHJMPBWLWEIBU-UHFFFAOYSA-N	315.381	1.725	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)c1ccc(OCC)c(OC)c1	294415100	QKUNPHFETXFAOF-CYBMUJFWSA-N	324.377	1.670	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cnn(-c2ccc(Cl)cc2)n1	804124579	BAKKFYZOVDMBBO-UHFFFAOYSA-N	309.713	1.264	50	20	DDGD	
CC(C)N1C[C@H](NC(=O)NNc2cccc(Cl)n2)CC1=O	293032628	NSPOUVQSALGEGT-SECBINFHSA-N	311.773	1.370	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@@H]2CSC[C@@H]2C)c1	804867230	LLBNHUZVGIYQFK-WCQYABFASA-N	323.418	1.456	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)NC[C@@H](C)N(C)C2CC2)c1	297603542	JHFMARARUPAGKR-LLVKDONJSA-N	319.409	1.754	50	20	DDGD	
Cc1cncc(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)c1	802120377	AIJXSJWBISLPAP-UHFFFAOYSA-N	313.361	1.923	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1ccn(C2CCCC2)n1	802034816	YAAQQFJUJFQHTP-UHFFFAOYSA-N	314.349	1.282	50	20	DDGD	
C[C@@](O)(CC(=O)NNC(=O)Nc1ccc2c(c1)OCO2)C1CC1	802105981	NMEVXKFJEPMMQN-OAHLLOKOSA-N	321.333	1.119	50	20	DDGD	
CC(=O)c1cccc(C(=O)NNc2ccc(-n3ccnc3)nn2)c1	804955853	VUVYMDMDAVJVCW-UHFFFAOYSA-N	322.328	1.622	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ncncc1F)N(C)c1ccccc1	292766100	SIVMIYVUYYKXPR-NSHDSACASA-N	318.356	1.767	50	20	DDGD	
CCC[C@@H](CNC(=O)NNC(=O)Cc1ccc(F)cc1)OC	296722435	JJDYLWACORSDDE-ZDUSSCGKSA-N	311.357	1.514	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)c1cc2ccccc2o1)OC	290771373	QYWFVLPLUKYOCZ-LLVKDONJSA-N	305.334	1.802	50	20	DDGD	
O=c1[nH]c2cccc(NS(=O)(=O)CCCCCl)c2o1	290568423	SYESJLZDQONHQT-UHFFFAOYSA-N	304.755	1.882	50	20	DDGD	
C#CC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)[C@@H]1CCCO1	291851510	HYVWDDDNEAZPMG-GJZGRUSLSA-N	315.373	1.130	50	20	DDGD	
COC(=O)C(C)(C)C(=O)COC(=O)/C(C#N)=C\c1ccccc1	803483330	LWPMFKSRJRRQOM-LCYFTJDESA-N	315.325	1.905	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc2oc(O)nc2c1	805152806	MNBWMWYDFVCITB-UHFFFAOYSA-N	311.297	1.917	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNc1ccc(-n2ccnc2)nn1	804957936	XZYXAWHFGGBSRH-MFKMUULPSA-N	304.354	1.167	50	20	DDGD	
COC(=O)N(C)NC(=O)CNC(=O)Nc1cccc(Cl)c1	295990314	JTXXRBCUQYFDIT-UHFFFAOYSA-N	314.729	1.191	50	20	DDGD	
CN1C[C@@H](C(=O)NNc2cc(Cl)nc(Cl)c2)CC1=O	819742222	ZSYNELRONBSZTK-LURJTMIESA-N	303.149	1.310	50	20	DDGD	
C=C(C)C(C)(C)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	819049920	ZBCOVEHCNOMOPZ-UHFFFAOYSA-N	304.346	1.821	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCCC(=O)O)cc(C#N)n1C	818772694	JLXIFNSRGOESPJ-WUXMJOGZSA-N	300.318	1.093	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)COc1ccccc1OC	812445754	YVNBRFIJXSXURB-NWDGAFQWSA-N	324.377	1.140	50	20	DDGD	
CSSCCNC(=O)NCc1ccc(CC(N)=O)cc1	811916259	QJXVWOGRJSEHCT-UHFFFAOYSA-N	313.448	1.525	50	20	DDGD	
CSc1nc(C(=O)NNc2ncncc2F)c2ccccn12	817077966	UZUJKFPGWMFWNE-UHFFFAOYSA-N	318.337	1.742	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@@H](C)n2cccn2)c1F	819559506	NYVRRSBISDGHGB-SNVBAGLBSA-N	320.324	1.903	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)c1ccc2c(c1)OCO2	811629716	CQHUNWJWNCYIDD-LLVKDONJSA-N	303.318	1.190	50	20	DDGD	
Cc1nc(C)c2c(C)c(C=NNC(=O)CN(C)C)sc2n1	727647860	LGPCCMDNTGOBKN-UHFFFAOYSA-N	305.407	1.628	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2snnc2C2CC2)n1	811480250	VCSVVIGWOYPCHV-UHFFFAOYSA-N	303.347	1.194	50	20	DDGD	
C[C@H](CCOc1ccccc1)C(=O)NNC(=O)c1ccnnc1	817693544	NFOAVAOUDGVHPQ-GFCCVEGCSA-N	314.345	1.343	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)NC[C@@H]1C[C@H]2C=C[C@H]1CC2	817172199	VDPUQVVGDNBEJS-AVGNSLFASA-N	315.377	1.442	50	20	DDGD	
C[C@]1(C(=O)NNc2ccc(OC(F)(F)F)cc2)CCNC1=O	821158319	JQTHQXMLXNUOSQ-LBPRGKRZSA-N	317.267	1.555	50	20	DDGD	
N#C/C(=C/c1cncnc1)C(=O)c1cccc(-c2nn[nH]n2)c1	826379297	ODXJOSAHJFBFRZ-PQMHYQBVSA-N	303.285	1.447	50	20	DDGD	
CCN(CC)C[C@@H](C)NC(=O)NNC(=O)c1cccc(C#N)c1	729048241	DJUPASYMAIGKQH-GFCCVEGCSA-N	317.393	1.233	50	20	DDGD	
C[C@@H]1SCC[C@@H]1NC(=O)NNC(=O)CCc1ccccc1	827643063	JOJWVPNXVKHJBJ-AAEUAGOBSA-N	307.419	1.844	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)/C=C\c1cnccc1C	492544121	YWQBVVDTDUHRNM-FPLPWBNLSA-N	311.341	1.873	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3C2)c1	728828247	MIUAJABEGGYTHC-HNNXBMFYSA-N	321.336	1.571	50	20	DDGD	
N#C/C(=C/c1cnc(N2CCCC2)nc1)C(=O)N=c1cc[nH]cc1	490814591	VYXDRTQLUMGGOP-ZROIWOOFSA-N	320.356	1.439	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CC(C)(C)[C@@H]2c2cnn(C)c2)cn1	491009720	KSJVNXMCZOBAPB-WQPBDQAGSA-N	324.388	1.670	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)C[C@H]1CCCCC1(F)F	496826240	FRFADCSANCOVKV-MRVPVSSYSA-N	300.327	1.345	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCOCC3(CCCC3)C2)cn1	829824642	VVGUVNZSFGPYNR-NVNXTCNLSA-N	314.389	1.746	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)C1(Br)CC1	821719512	CTYDXQZIFPKZFX-UHFFFAOYSA-N	313.151	1.844	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)C1CCC(OC[C@H]2CCCO2)CC1	823922748	MQTMFJFSFAODQX-XSCHDIRWSA-N	314.426	1.085	50	20	DDGD	
Cc1cc(C(=O)NN(C)[C@@H](C)CO)c(Br)s1	823947425	XWLDWDJUCDSUEL-LURJTMIESA-N	307.213	1.776	50	20	DDGD	
CC(C)CCN(C(=O)c1cccc(B(O)O)c1)C1CCCC1	584936525	KLUATYFFCACOSO-UHFFFAOYSA-N	303.211	1.797	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)N[C@@H]2CC[C@H](C#N)C2)c1	823885959	KYWCBSVOXCWIJQ-WCQYABFASA-N	315.377	1.389	50	20	DDGD	
CCOC(=O)[C@H](F)C1CN(C(=O)[C@@]2(C)C[C@H]2Br)C1	908404573	VSJRPMIIBDGANT-LNLATYFQSA-N	322.174	1.520	50	20	DDGD	
Nc1ccc(C(=O)NNC(=O)NC2CC2)cc1OC(F)(F)F	823768426	UPEZGWKFCTVPHP-UHFFFAOYSA-N	318.255	1.274	50	20	DDGD	
COC(=O)N(C)N=C(C)c1ccc(Cl)c(S(N)(=O)=O)c1	495749915	YGGJSVFDRMGYCW-UHFFFAOYSA-N	319.770	1.410	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2Cc3cccc(C)c3O2)o1	826758427	LVXHOFPBGUKJRT-CYBMUJFWSA-N	300.314	1.661	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)C1[C@H]2CCCCCC[C@H]12	826122995	BQUTXHHWPWJSTP-KBPBESRZSA-N	301.390	1.988	50	20	DDGD	
COC(=O)NNC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1	495449114	UKHIPCDLKCDXDL-UHFFFAOYSA-N	323.349	1.963	50	20	DDGD	
COC(=O)CCSCCNC(=O)[C@]1(C)C[C@H]1Br	906695172	MSTYOUGWVWKLJH-LDYMZIIASA-N	324.240	1.572	50	20	DDGD	
Cc1c(C(=O)NN(C)[C@@H](C)CO)nnn1-c1cccc(Cl)c1	823965728	TUAHKLVLAFCWJB-VIFPVBQESA-N	323.784	1.187	50	20	DDGD	
OB(O)c1ccccc1CN[C@H]1C[C@H](c2cc(F)cc(F)c2)C1	585038823	IPCITBHVXWWHFI-SAZUREKKSA-N	317.144	1.680	50	20	DDGD	
C[C@@H](CNCc1ccc(B(O)O)cc1F)c1ccc(F)cc1F	585026140	CLMYMTWSBCJESV-JTQLQIEISA-N	323.123	1.677	50	20	DDGD	
CC(C)(C)CCCC(=O)NNC(=O)CNC(=O)OC(C)(C)C	494743269	XRJMOKJMDIQVHP-UHFFFAOYSA-N	315.414	1.875	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)NOC1CCC1	836569922	NWDFDEVYPPAVMA-UHFFFAOYSA-N	312.757	1.838	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H](C)c2cnn(C)c2)cc1F	837049857	AVUKDDHMBOVHBK-SECBINFHSA-N	320.324	1.593	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC[C@@]2(C)CCOC2)cc1	733654596	LUJXPYOIJVLSJJ-MRXNPFEDSA-N	321.377	1.131	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](C)c1ccn(C)n1	838774561	VZXKIRHYDYRJTB-LLVKDONJSA-N	301.350	1.434	50	20	DDGD	
COC(=O)COc1ccc(C=NNC(=O)[C@H]2CCCCO2)cc1	834985972	MJNWMRNAVIGULI-CQSZACIVSA-N	320.345	1.258	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(F)ccc1F	730576647	JOYAWTPEGOEODA-VIFPVBQESA-N	316.329	1.240	50	20	DDGD	
CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1nccs1	735447757	MBCIATIIBVGHKK-UHFFFAOYSA-N	313.346	1.477	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)c1F	837060478	LLAZISPPIPZGFN-HLUHBDAQSA-N	308.309	1.623	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)C1CCC1	732142229	RVXBMTCLDVKWLD-HNNXBMFYSA-N	316.405	1.241	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NC2CCC2)cc(-c2nn[nH]n2)n1C	737212772	MEWBNQKEGJLFMG-WDZFZDKYSA-N	311.349	1.089	50	20	DDGD	
O=C(NC[C@@H]1[C@@H]2CCc3ccccc3[C@H]21)c1cccc(B(O)O)c1	584963649	BJQJCKARNLGMTR-RCCFBDPRSA-N	321.185	1.072	50	20	DDGD	
COc1cccc(SCC(=O)NNc2nccc(OC)n2)c1	733132316	KVGYHAXZVXLWHF-UHFFFAOYSA-N	320.374	1.729	50	20	DDGD	
Cc1c(C#N)cccc1NC(=O)NNC(=O)[C@H]1CCCCO1	836469123	BDUCGABSBQLFQF-CYBMUJFWSA-N	302.334	1.589	50	20	DDGD	
C[C@H](CCS(C)(=O)=O)NC(=O)[C@@]1(C)C[C@@H]1Br	907019341	AJYVEMBAEFAEPI-WEDXCCLWSA-N	312.229	1.099	50	20	DDGD	
CCCNC(=O)Nc1ccc(CC(=O)NN(C)CCOC)cc1	837621894	ATMUVPMNMSZPQV-UHFFFAOYSA-N	322.409	1.370	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)cc1F	909359070	FXSHKJMNZRDFLE-OASPWFOLSA-N	306.293	1.281	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1cc(C2CC2)ccn1	836633172	BWJBEAFZESKWPQ-GFCCVEGCSA-N	304.350	1.681	50	20	DDGD	
CCCC[C@H]1CCC[C@@H]1NC(=O)c1cc(B(O)O)ccc1F	584939246	HTNKERSULAETQE-NHYWBVRUSA-N	307.174	1.594	50	20	DDGD	
Cc1cc(C)cc(C2(C(=O)NNC(=O)c3ncon3)CC2)c1	832826403	YWMRMBNXXYJUKS-UHFFFAOYSA-N	300.318	1.179	50	20	DDGD	
COc1ccc(CCCC(=O)NNC(=O)N(C)C)cc1OC	900427825	QTDHBDGTLMQQJP-UHFFFAOYSA-N	309.366	1.329	50	20	DDGD	
CCCN1CCC[C@@H]1C(=O)NNc1ccc(C(=O)OC)cc1F	837209615	QFKSRBXLOOSLIE-CQSZACIVSA-N	323.368	1.930	50	20	DDGD	
COC12CC3C[C@@H](C1)C(NCc1cccc(B(O)O)c1)[C@@H](C3)C2	585041602	FFDPFADUUIHITO-KGYFKUTRSA-N	315.222	1.050	50	20	DDGD	
O=C(O)NNC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1	833280282	DTZNXEXICKRFBA-UHFFFAOYSA-N	303.278	1.918	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=O)NC2CCCC2)C1	900414876	NHUZANNYEGLTKL-CABZTGNLSA-N	305.382	1.349	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H]2CCCO2)c1F	837312958	GYTPHNUVKRAFQJ-VIFPVBQESA-N	311.313	1.417	50	20	DDGD	
CC[C@](C)(C=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1)OC	834935970	YWRFYIDWOXQTRF-HGTKMLMNSA-N	313.442	1.649	50	20	DDGD	
COc1cc(C(=O)NNc2cnccn2)cc2c1O[C@H](C)C2	734245243	RNLRXPYHEWPYHI-SECBINFHSA-N	300.318	1.566	50	20	DDGD	
COC(=O)[C@H](C)n1cccc1C=NNC(=O)[C@@H]1CCCCO1	834985306	HSYBQJGKLMDHER-AAEUAGOBSA-N	307.350	1.241	50	20	DDGD	
CS(=O)(=O)c1cccc(COC(=O)/C(C#N)=C\C2CC2)c1	837686972	IKBJHBNXRFSATF-QPEQYQDCSA-N	305.355	1.993	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)c2ccncc2)cc1F	743842418	YDSGFSMHBKWIKB-UHFFFAOYSA-N	302.309	1.362	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2cc(C)[nH]c2C)cc1	914832284	QZSFIGUQUSACBV-UHFFFAOYSA-N	316.361	1.513	50	20	DDGD	
CC(=O)c1cccc(OCCCC(=O)NN(C)C[C@@H](C)O)c1	910170162	ZKCDKHWZOIWKJI-GFCCVEGCSA-N	308.378	1.392	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNC(=O)CC(F)(F)F)cc1	918703837	LRVYFUVKNQDWJY-DAXSKMNVSA-N	302.252	1.808	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=S)N[C@H](C)C2CC2)C1	912161213	RBCKPMUOIDSEJS-KBVBSXBZSA-N	321.450	1.369	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@H](NC(C)=O)C(C)C)cc1	846370498	LRAAZEMTAKQTKN-OAHLLOKOSA-N	321.377	1.006	50	20	DDGD	
CC[C@H](O)[C@@H](C)C(=O)NNC(=S)Nc1cc(C)ccc1F	913821992	NZKPKWTVHULEHS-SKDRFNHKSA-N	313.398	1.859	50	20	DDGD	
O=C(NNc1c(F)cccc1Cl)[C@@H]1CCCS1(=O)=O	846969553	ICEWZBICIZSSPC-VIFPVBQESA-N	306.746	1.499	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H](C)Cc2cnc[nH]2)c1	847287122	NLKPJOMLTYQJKN-LBPRGKRZSA-N	316.361	1.123	50	20	DDGD	
O=C(NCCC1CC1)NNc1ncc(Br)cn1	847326483	BGNDIRDYRQGSOR-UHFFFAOYSA-N	300.160	1.665	50	20	DDGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2cnn(C)n2)cc1	840734902	KKUUEQCSQJIVAW-ZWSXMNCCSA-N	311.345	1.608	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cn(-c2ccc(Cl)cc2)nn1	914775565	USZKQYRLCMODRQ-UHFFFAOYSA-N	305.725	1.092	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1cc(Cl)ccc1O)[C@@H]1CCOC1	841615828	AIZSEGGOWSIQHQ-RNCFNFMXSA-N	312.753	1.813	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H](C)Cc2ccncc2)n1	749619466	GZSFQBCERQTLKA-JTQLQIEISA-N	316.365	1.446	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCNC2CCCCCC2)o1	841963031	PBSXEGUJHJCCOO-UHFFFAOYSA-N	322.409	1.844	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)Cc1ccccc1F)n1ccnc1	844382841	KYTHPJAYDOGWPA-LLVKDONJSA-N	304.325	1.363	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H](C[C@H]1CCCO1)C(F)(F)F	845302556	VHRUAHALVJOWKB-RKDXNWHRSA-N	311.304	1.474	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1c(F)ccc(F)c1F	843653434	CAJULGFHVSSKQV-NKWVEPMBSA-N	302.252	1.290	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2C[C@@H]3[C@@H](C2)C3(C)C)c1	744405571	RWNVALXSGSCJLM-ZIAGYGMSSA-N	301.390	1.344	50	20	DDGD	
C[S@@](=O)c1ccc(C(=O)NNC(=O)NC2CCCCC2)cc1	849202739	OBOUBBQDRQXZPZ-JOCHJYFZSA-N	323.418	1.701	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H](C)Oc2ccc(F)cc2)nn1C	841610845	MCCZRNVZLIEJAD-NSHDSACASA-N	304.325	1.785	50	20	DDGD	
CCN[C@H](C)CNC(=O)NNc1cccc(Br)n1	841984528	CJXDYHGBDDPUCB-MRVPVSSYSA-N	316.203	1.468	50	20	DDGD	
CCC[C@@H](O)CC(=O)NNc1ncc(Br)cn1	848321617	YRSCEUDWBIAENJ-MRVPVSSYSA-N	303.160	1.233	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)C1(C(=O)NC2CC2)CC1	846643019	JSYGYDBODMCIQL-UHFFFAOYSA-N	307.325	1.336	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=C1CCN(c2nccs2)CC1	842559202	ZWPLVCBXCUXMKQ-ZYHUDNBSSA-N	308.407	1.641	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCOC1)c1ccc(Br)cc1	921145900	PHEFOJCMQJSTOU-SECBINFHSA-N	313.151	1.247	50	20	DDGD	
C[C@H](NC(=O)C1CCCC1)C(=O)NNc1ncccc1[N+](=O)[O-]	759293689	BXIFUKLVBYWGCZ-VIFPVBQESA-N	321.337	1.128	50	20	DDGD	
C[C@@]1(CNC(=O)N=c2cc[nH]cc2F)C[C@@H]1Br	856851768	ULXVDYIUQZKVLN-ONGXEEELSA-N	302.147	1.938	50	20	DDGD	
O=C(NN=Cc1cccn1Cc1cccs1)C(=O)NC1CC1	755611639	NYYQXPQPKLNHPT-UHFFFAOYSA-N	316.386	1.327	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cnco2)cc1	758079229	HIJKOLGPMVYXKY-JTQLQIEISA-N	319.317	1.302	50	20	DDGD	
Cn1nc2c(c1C(=O)NNC(=S)NCC1CCC1)CCCC2	855090965	WQYSKSLGZDHBFY-UHFFFAOYSA-N	321.450	1.208	50	20	DDGD	
CCOCC(=O)NN=C(C)c1cncc(Br)c1	853305407	ZTFBHKSTMGLVIU-UHFFFAOYSA-N	300.156	1.721	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)Cc2ccc(Cl)cc2)O1	756903348	DHMCTAQEIWUJQH-QWHCGFSZSA-N	310.781	1.988	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H](c2cnn(C)c2)C(C)C)cc[nH]1	927429867	NFMSTXHFPKNECJ-CQSZACIVSA-N	302.382	1.569	50	20	DDGD	
COC1CC(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)C1	858145514	WVSSBRCXUAXMFB-UHFFFAOYSA-N	301.346	1.283	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N(C)Cc2cccn2C)c1	858706335	RDCGWZKZDBHCPM-UHFFFAOYSA-N	306.391	1.881	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1cc(C(F)(F)F)nn1C	853368033	AJBQPCJXJYNMLX-VXNVDRBHSA-N	304.272	1.314	50	20	DDGD	
CO[C@@H](C1CC1)[C@@H](C)NC(=O)NNC(=O)c1cc(C)cs1	858519938	BQOFSOZPKCJMAM-BXKDBHETSA-N	311.407	1.814	50	20	DDGD	
C[C@H](Cc1cnc2ccccc2n1)C(=O)NNc1cnnn1C	857270703	LJGJRGHVOUSQAJ-SNVBAGLBSA-N	311.349	1.080	50	20	DDGD	
C[C@H](c1ccccc1)[C@H](O)CNC(=O)/C(C#N)=C/c1cnn(C)c1	856292042	HVNZCAHRHDCIHC-WWSWWBLPSA-N	324.384	1.608	50	20	DDGD	
O=C(CC1CCCC1)NN=C1CCC2(CC1)NC(=O)NC2=O	758117734	SPCFOCIEFCZKRU-UHFFFAOYSA-N	306.366	1.191	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@H]1CCN(C(C)(C)C)C1	854314341	MHCYGCPDQPSOHG-JTQLQIEISA-N	300.403	1.598	50	20	DDGD	
O=C(CC1CCCC1)NCC(=O)NNC(=O)c1ccccc1F	750862681	HFGRKLQWLIJXBL-UHFFFAOYSA-N	321.352	1.283	50	20	DDGD	
CN(C)C(=O)CCCNC(=O)NC[C@]1(C)C[C@H]1Br	856827760	VDOSHMUZQBZKCH-SKDRFNHKSA-N	320.231	1.328	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@@H](N2CCCC2=O)C1)C1CCCC1	753337972	AJLVIMALGSFHJT-CYBMUJFWSA-N	322.409	1.004	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@]2(C)CCOc3ccccc32)n1	930077348	QTUPAZVQBOCUQQ-INIZCTEOSA-N	314.345	1.669	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc(C#N)cc1)CC1CC1	764250287	XZNPJDWDTZEMNL-UHFFFAOYSA-N	300.362	1.051	50	20	DDGD	
COCCn1cc(C(=O)NC[C@]2(C)C[C@H]2Br)cn1	869356002	BWPGZPZFQXWUSM-PWSUYJOCSA-N	316.199	1.433	50	20	DDGD	
C[C@@H](CC(=O)NN[C@@H](C)C(F)(F)F)NC(=O)C1CCCC1	862313035	WVPOTOHKLFVFHG-IUCAKERBSA-N	309.332	1.643	50	20	DDGD	
COCCCNC(=O)NN=Cc1c(C)nc2sc(C)nn12	765570554	DBROHMLILADAAW-UHFFFAOYSA-N	310.383	1.077	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)[C@@H]2CCC(=O)N2)c(C)c1	863151644	QCEGAIFWYJYQDK-AWEZNQCLSA-N	303.362	1.513	50	20	DDGD	
CCC(=NNC(=O)CN1CCCC1=O)c1ccc(O)c(F)c1	764666748	OQMXMERJNKJMKI-UHFFFAOYSA-N	307.325	1.384	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@H]2CCN2C(C)(C)C)c1O	862993995	RPPZYCSQPYBEBA-LLVKDONJSA-N	321.377	1.035	50	20	DDGD	
CC/C(=C/C(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccc(C)cc1	862454810	BJYQOQVCJXQBDS-GAJOTYCWSA-N	315.373	1.214	50	20	DDGD	
O=C(C[C@H]1CC(=O)NC1=O)NNc1cc(Cl)ccc1Cl	935022685	KUFBJGYULKRIPA-ZCFIWIBFSA-N	316.144	1.489	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H]2CCN(C3CCCCC3)C2)cc[nH]1	862512910	LJOFXCZZUIWGQC-CQSZACIVSA-N	302.422	1.910	50	20	DDGD	
COc1cccc(NC(=O)NNCC(F)(F)C(F)(F)F)n1	861205017	UIDAYLZWPVIKDM-UHFFFAOYSA-N	314.214	1.914	50	20	DDGD	
C[C@@H](NC(=O)C1CCCCC1)C(=O)NN[C@H](C)C(F)(F)F	862308227	AFXRCONUPDOQEH-RKDXNWHRSA-N	309.332	1.643	50	20	DDGD	
C[C@@H](C[S@@](C)=O)N(C)S(=O)(=O)CC(C)(C)CCl	867095616	UVOIFDDEMHOXFJ-XXFAHNHDSA-N	303.877	1.280	50	20	DDGD	
CC(=O)OCCc1cccc(NC(=O)NNC(=O)C(C)(C)C)c1	764721935	QJYFVKDVMQFUMF-UHFFFAOYSA-N	321.377	1.991	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2cc(C)c(Cl)cc2C)n[nH]1	869017123	ZVTMIKCGAKJFID-UHFFFAOYSA-N	320.780	1.992	50	20	DDGD	
CC(=NNC(=O)[C@H](C)Oc1ccc(F)cc1)c1cn(C)cn1	872334432	XOLGJCCRFFDYIT-NSHDSACASA-N	304.325	1.867	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)c1cccc(F)c1	772161488	YCENYKWRAKVDRL-ZJUUUORDSA-N	310.325	1.418	50	20	DDGD	
CCC[C@@H](CC)C(=O)OCC(=O)NNC(=O)c1cccs1	873419702	YSVIBANMOIYMSL-SNVBAGLBSA-N	312.391	1.879	50	20	DDGD	
Cn1cc(CC(=O)NNc2ccnc(Br)c2)cn1	771542477	YBMWUBVWJNVSGN-UHFFFAOYSA-N	310.155	1.263	50	20	DDGD	
COCCN(C(C)=O)c1nc(CN2CC=C(C#N)CC2)cs1	779590343	ONJDJIIMMJRXLZ-UHFFFAOYSA-N	320.418	1.798	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCC[C@H]2CCO)c1	779710368	FLFYKLSZZWYNKK-GXTWGEPZSA-N	316.361	1.053	50	20	DDGD	
Cc1cc(-n2cncn2)ccc1C(=O)NNC(=S)NC(C)C	1116134199	PQAHFIIQEBCOIU-UHFFFAOYSA-N	318.406	1.093	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@]1(C)C(C)C	775073434	LPOYXIPWVUBKRG-MKBNYLNASA-N	312.410	1.794	50	20	DDGD	
N[C@H]1CC[C@H](C(=O)NNc2ncc(Br)cn2)CC1	870950226	AYDGPIKOURJNKL-XWEPSHTISA-N	314.187	1.200	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)CCC(C)(C)C	772315545	KKLIBJJEKCLUBT-GHMZBOCLSA-N	300.399	1.938	50	20	DDGD	
Cc1cc(=NNC(=O)NCc2cc3c(nc2O)CCC3)cc[nH]1	875283018	ZUMMJCKEUBXMKI-UHFFFAOYSA-N	313.361	1.228	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCC[C@@H]2CCOC2)cc1	1117810180	YSJHTNLOTFUORC-GFCCVEGCSA-N	321.377	1.456	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1ccc2nnc(C(F)F)n2c1	1116514838	SBHVTDRQYLNUFE-UHFFFAOYSA-N	304.260	1.241	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](C[C@H]2CCOC2)C1	773698992	FMAISQDWDCNSPR-MELADBBJSA-N	311.426	1.071	50	20	DDGD	
O=C(NCCc1cnccn1)NNC(=O)c1cccc(Cl)c1	774780806	CWYQTRKITPMEDD-UHFFFAOYSA-N	319.752	1.317	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(N2CCOC2=O)ccc1C	770045526	DKVSFSJACINCJE-UHFFFAOYSA-N	322.321	1.734	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCc1cccc2c1OCO2	887147091	XQFHPKHCRPFAJA-UHFFFAOYSA-N	302.330	1.299	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1O)C(C)C	771741286	LMRLCDRHWDBJSA-LLVKDONJSA-N	300.742	1.478	50	20	DDGD	
C[C@@H]1CCN(C(=O)NNC(=O)c2cccnn2)CC12CCC2	883850874	HAEBWKGALZXHCJ-LLVKDONJSA-N	303.366	1.343	50	20	DDGD	
COC12CCC(C(=O)NNc3ccnc(F)c3)(CC1)C(=O)C2	1123780027	MFTRWEFQUODSAB-UHFFFAOYSA-N	307.325	1.582	50	20	DDGD	
Cc1oc2ccccc2c1CC(=O)NNC(=O)C1CCOCC1	883067982	CQIGVMVJBCDETQ-UHFFFAOYSA-N	316.357	1.858	50	20	DDGD	
O=C(NCCNS(=O)(=O)CCCCl)c1ccc(F)cc1	881809324	WEXNSLKKENDRJB-UHFFFAOYSA-N	322.789	1.104	50	20	DDGD	
C=C(CBr)n1cc(CCN2CCOCC2)nn1	881316675	RUDHACOBVQPANE-UHFFFAOYSA-N	301.188	1.018	50	20	DDGD	
CN1C(=O)Cc2cc(NC(=O)NNc3ncc(F)cn3)ccc21	788707841	PNXYEIDFBXXKHI-UHFFFAOYSA-N	316.296	1.283	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C2CCOCC2)ccc1Cl	883066671	GQDOFYQLUAWFLE-UHFFFAOYSA-N	312.753	1.536	50	20	DDGD	
Cn1cc([C@@H]2CN(S(=O)(=O)CCCCl)CC2(C)C)cn1	882331796	NCAHEUWCNUYASJ-LBPRGKRZSA-N	319.858	1.804	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(C)cc(OC)c2O)nc1	781521671	UVAPYFOEHBBANC-UHFFFAOYSA-N	303.318	1.870	50	20	DDGD	
O=S(=O)(CCCCl)N1C[C@@H](O)C[C@@H]1c1ccccc1	882258428	QQUOEWKCSUDATC-QWHCGFSZSA-N	303.811	1.753	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CCC(=O)[C@H](C)C2)c1	780800371	IXCUAXFLTJWGNI-GHMZBOCLSA-N	304.346	1.922	50	20	DDGD	
CC(C)N(CCCNS(=O)(=O)CBr)C(C)C	782465031	XZZBJALGOAFOMI-UHFFFAOYSA-N	315.277	1.767	50	20	DDGD	
Cc1cc2cc[nH]c2cc1NC(=O)C(=O)NNC(=O)CC1CC1	782118665	YLYKXUNDAQJMKW-UHFFFAOYSA-N	314.345	1.362	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H](C(=O)NNC(=S)NC(C)(C)C)C1(C)C	899996511	WGPOEOQWIURXAE-ZJUUUORDSA-N	313.467	1.922	50	20	DDGD	
CCOC(=O)C1(CC(=O)NNc2ncncc2Cl)CCC1	789853197	GPQZKFDDUWPBCA-UHFFFAOYSA-N	312.757	1.697	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1ccc(N2CCNC2=O)cc1	782188248	VMJUIJZPIZXLPS-UHFFFAOYSA-N	324.344	1.160	50	20	DDGD	
COc1cccc(NNC(=O)c2nc(C)n(-c3ccccc3)n2)n1	780772613	GZEWSJYWQRCTGE-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](c1cccc(Cl)c1)N(C)C	780708944	KUGDFMGEWBWJQK-GFCCVEGCSA-N	312.801	1.635	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)CO1	784017379	PVXFZDJAXJNUPI-XOVPDBADSA-N	306.406	1.775	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2cccc(OC)n2)cc1	781023881	MGANTRNALUMRQZ-UHFFFAOYSA-N	316.317	1.181	50	20	DDGD	
CC(C)=C[C@H]1[C@@H](C(=O)NNC(=O)N2CCN(C)CC2)C1(C)C	788168933	HFXXQIKUVIWQDN-STQMWFEESA-N	308.426	1.213	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2cccc3cnccc23)C1	787133382	ASDMIAISWSTWKD-VXGBXAGGSA-N	312.373	1.970	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1c[nH]nc1-c1cccnc1	899995509	SKEWLQCYGUPHML-UHFFFAOYSA-N	318.406	1.379	50	20	DDGD	
COCc1cccc(C(=O)NNc2ccc(-n3ccnc3)nn2)c1	788177736	IWBGGUHJPIYFRG-UHFFFAOYSA-N	324.344	1.566	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H](C)Cc2ccco2)n1	792800920	LCHYRNUVGRXNKQ-NSHDSACASA-N	302.334	1.558	50	20	DDGD	
C#CCOc1ccc(C(C)=NNC(=O)N2CCN(C)CC2)cc1	790176965	WXLZNDIRLHQTPE-UHFFFAOYSA-N	314.389	1.380	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)NCC2(CC#N)CC2)c1	797563262	QZACYDLEDUAHJW-UHFFFAOYSA-N	322.390	1.410	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)Cc1ccccc1CO	798311300	NSWLSCZVVZKBQV-UHFFFAOYSA-N	313.357	1.883	50	20	DDGD	
COc1ccc2[nH]cc(CC(=O)NNC(=S)NC(C)C)c2c1	1317820287	BQARGQOFKXDPFZ-UHFFFAOYSA-N	320.418	1.623	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cnn3ccccc23)c1Cl	1319303802	UCVSWRWTGCSMLV-UHFFFAOYSA-N	303.713	1.117	50	20	DDGD	
Cc1ccc(C(=O)NNc2nncc(N)c2Cl)c(O)c1C	1319244774	MECNTAZRWVEOPE-UHFFFAOYSA-N	307.741	1.792	50	20	DDGD	
Cc1c[nH]cc(C(=O)NNc2cncc(Br)c2)c1=O	1325106860	HLJQCUQDMGZSKT-UHFFFAOYSA-N	323.150	1.598	50	20	DDGD	
Cc1ccccc1[C@@H]1C[C@H]1NC(=O)NNC(=O)C1CCNCC1	1327324484	NEGJVXUIAWJQPQ-LSDHHAIUSA-N	316.405	1.181	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NNc2ccc(C(C)(C)C)nn2)C1	1321797389	OLRUBXLOWIMZJW-LLVKDONJSA-N	319.409	1.476	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H](C)OC2CCCCC2)n[nH]1	1329527856	XVGCQILMZWFFGW-LLVKDONJSA-N	308.382	1.146	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)Nc2ccccc2)C[C@@H]1Br	1329510149	HKJFXOJDRKVORL-GWCFXTLKSA-N	311.179	1.915	50	20	DDGD	
CC[C@H](C)CC[C@@H](O)CC(=O)NNc1nncc(N)c1Cl	1326836205	RVZDBWSCYCASPW-DTWKUNHWSA-N	315.805	1.733	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2ncncc2Cl)cc1	1320846670	VAXUTNUAHKYYOP-UHFFFAOYSA-N	316.708	1.083	50	20	DDGD	
O=C(CCO)NN=C1CCCc2cc(Br)ccc21	1325012557	RRSIGXQMOJUOOE-UHFFFAOYSA-N	311.179	1.988	50	20	DDGD	
O=C(NCc1ccc2c(c1)CCC2)NNC(=O)C1CCOCC1	1333148863	IDAUZNSMKPZZQV-UHFFFAOYSA-N	317.389	1.432	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2nccnc2C(C)C)o1	1339288617	RSQDYFZVNADKFH-UHFFFAOYSA-N	304.306	1.737	50	20	DDGD	
C#CCCCCNC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1331076034	ADFBZMXWWOYHFM-GWCFXTLKSA-N	315.211	1.196	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNc1cncc(Br)c1	1330671846	NPJPLLKWNUNCQE-SNVBAGLBSA-N	315.171	1.202	50	20	DDGD	
C=C[C@@](C)(CCOC)C(=O)NNc1ccc(C(=O)OC)cn1	1338656089	QGXKKUQLVOLBHG-HNNXBMFYSA-N	307.350	1.540	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1CCCCN1Cc1cccc(F)c1	1347054645	CCJSMJORLXLEEJ-INIZCTEOSA-N	323.412	1.790	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cccc(N2C(=O)CCC2=O)c1	1347643191	BIXJZMJYPFWTKW-ZHACJKMWSA-N	313.313	1.722	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ccc(-n2cncn2)cc1	1343744938	UJAKJDZGDMGUPK-UHFFFAOYSA-N	300.322	1.220	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H]2CCC[C@H]2OC)c1	1347278690	JJDKKVSLMQPOQL-UONOGXRCSA-N	317.414	1.801	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2[C@@H](C)C2(F)F)ccc1F	1521652476	BKEJMMOIUDSAQG-LDWIPMOCSA-N	302.252	1.957	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccccc2[N+](=O)[O-])nc1	1608905023	UXRJIXIOYXFVQT-UHFFFAOYSA-N	302.246	1.445	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNc1cccc(F)c1C(=O)O	1600979548	NQZKFHXIFSQCIF-UHFFFAOYSA-N	305.265	1.188	50	20	DDGD	
Cc1nc2cc(C(=O)NNc3ccc(C(=O)O)cn3)ccc2o1	1600724699	KSWGMFMPOSABJP-UHFFFAOYSA-N	312.285	1.986	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NNc1ccc(C(=O)O)c(F)c1	1604619955	HIXQPJMEKOYKQU-IUCAKERBSA-N	308.309	1.972	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNc2ccc(C(=O)O)cn2)s1	1600691351	GPPUKSWXRPGGNZ-UHFFFAOYSA-N	306.347	1.539	50	20	DDGD	
O=C(O)/C=C/c1cc(C(=O)NNc2ncncc2Cl)co1	1606065405	ZNWZIOKUQLAIQG-OWOJBTEDSA-N	308.681	1.578	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1cc(C(F)F)ncn1	1601561300	ZJINCXRTLPLIGG-UHFFFAOYSA-N	308.244	1.869	50	20	DDGD	
CC1(C)OCCC1=NNC(=O)c1cccc(-c2nn[nH]n2)c1	1603795485	WCZQGOQQJQEKFQ-UHFFFAOYSA-N	300.322	1.151	50	20	DDGD	
O=C(NN=Cc1cc(C(=O)O)ccc1O)OCC(F)(F)F	1608476941	CTWNOUMKFYDIHZ-UHFFFAOYSA-N	306.196	1.713	50	20	DDGD	
O=C(O)Cc1occc1C(=O)NN=c1cc[nH]c2ccccc12	1602155429	SEEWOTSIPOCDSG-UHFFFAOYSA-N	311.297	1.634	50	20	DDGD	
CC(C)(C)[C@H](C(=O)O)C(=O)NNC(=O)CCc1ccccc1O	1602851840	DERQXQHFKXHLBA-ZDUSSCGKSA-N	322.361	1.219	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)c1cnn(CCF)c1	1601559029	IZZGLKAGKDILLI-UHFFFAOYSA-N	310.260	1.447	50	20	DDGD	
CCn1nccc1[C@H]1OCCC[C@H]1C=NNC(=O)CN(C)C	1552449241	IZHJBLFBZUMBRP-WFASDCNBSA-N	307.398	1.034	50	20	DDGD	
CCn1cc([C@H]2OCC[C@H]2C=NNC(=O)c2ncccn2)cn1	1552454870	RHKJOUWWKZQKIZ-AAEUAGOBSA-N	314.349	1.186	50	20	DDGD	
CO[C@@H]1CCCC(=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)CC1	1550191875	IWMKWDPFILABBC-KFWWJZLASA-N	309.410	1.301	50	20	DDGD	
CCCN(NC(=O)[C@H](F)[C@H]1CCNC1)C(=O)OC(C)(C)C	1577530478	KZXNOTHNIPTLIE-WDEREUQCSA-N	303.378	1.612	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)[C@@H]2C[C@H]2C2CC2)C1	1841270607	LKEMZRWNCSCVDC-TUAOUCFPSA-N	314.788	1.770	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)C(C)(C)OC)C2	1845162893	UFYCJDZKHKFOPL-LLVKDONJSA-N	316.829	1.632	50	20	DDGD	
CC(=O)NC1CCC(C(=O)NNc2cccc(C(=O)O)c2)CC1	1589117893	JAHYBHALWLJYJY-UHFFFAOYSA-N	319.361	1.523	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)no1	1589767855	QASORDBNGDGKES-UHFFFAOYSA-N	314.309	1.130	50	20	DDGD	
Cc1cc(C(=O)N2CCCC23CN(C(=O)[C@@H](F)Cl)C3)c[nH]1	1843553085	GJSLAZGGNZHJED-LLVKDONJSA-N	313.760	1.675	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2cccc(-c3nn[nH]n3)c2)c(C)o1	1591929070	HCLZNXOGRBTSFF-UHFFFAOYSA-N	310.317	1.840	50	20	DDGD	
C[C@@H](NC(=O)[C@@]1(c2ccccc2)C[C@@H]1Br)C(=O)O	1594200104	SQHYRBYTDOYUPF-DFAYQTQMSA-N	312.163	1.681	50	20	DDGD	
COc1cc(/C=C(/C#N)C(=O)NC2CC2)ccc1-c1nn[nH]n1	1591522803	NONJRZNEYNDVQC-POHAHGRESA-N	310.317	1.061	50	20	DDGD	
CCn1ccc(CC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)n1	1597904455	KMXCORXQESWMKP-UHFFFAOYSA-N	319.273	1.658	50	20	DDGD	
C[C@H](CBr)COC(=O)c1ccc(C(=O)O)cn1	1592213644	ZITSIKNKAGXNIM-SSDOTTSWSA-N	302.124	1.968	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1ccc(C(=O)O)cc1F	1594551587	LTUDTQMQXZZKRV-UHFFFAOYSA-N	320.280	1.329	50	20	DDGD	
Cc1cccc(NNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)c1Cl	1592235866	ZTGHORGKYCVDFL-UHFFFAOYSA-N	317.740	1.914	50	20	DDGD	
CC(C)(C)OCCNC(=O)NNc1ccc(F)c(C(=O)O)c1	1590388361	OMCGQLOGPDHOHH-UHFFFAOYSA-N	313.329	1.965	50	20	DDGD	
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ccc(C)c(C(=O)O)c1	1596677765	LGOYRDSJEMDGSL-NWDGAFQWSA-N	320.345	1.726	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCSc1ccc(F)cc1	16317092	PGRNMJYTVABYLG-UHFFFAOYSA-N	313.423	1.989	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)COc1ccccc1[N+](=O)[O-]	17065684	MORXMRWWVSPXBH-UHFFFAOYSA-N	309.322	1.557	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Cc2ccccc2F)cc1	17112019	CPLDVIYLKPPLBL-UHFFFAOYSA-N	316.332	1.903	50	20	DDGD	
Cn1cc(Cl)cc1C(=O)NNC(=S)Nc1ccccn1	161803200	FDTQUQKJBXHSGX-UHFFFAOYSA-N	309.782	1.705	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc3[nH]c(C)c(C)c3c2)[nH]n1	153126338	QKYLCZDNEFIZTR-UHFFFAOYSA-N	311.345	1.891	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCOCc2ccccc2)[nH]n1	153235061	OVVSGCFKYURIQI-UHFFFAOYSA-N	302.334	1.086	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H](N)CCSC)c1ccccc1	157320696	KDNOEYKTPYMWDQ-STQMWFEESA-N	309.435	1.408	50	20	DDGD	
CCC(=O)N1CCC[C@@H](C(=O)NNc2cc(F)cc(OC)c2)C1	157469768	UBLGPNFZMADMIX-LLVKDONJSA-N	323.368	1.926	50	20	DDGD	
COc1ccc(NNC(=O)NCCOc2ccccc2)nc1	156510908	QMRKLGDFMYAQQE-UHFFFAOYSA-N	302.334	1.795	50	20	DDGD	
CO[C@@H]1[C@H]2C[C@@H]3CN(S(=O)(=O)CCCCCl)[C@@H]1[C@H]3C2	375679716	OCKYZSQHCGXUIG-OBPIAQAESA-N	307.843	1.690	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1ccc(F)cc1F	7764995	QRNTZJNABZIMQL-UHFFFAOYSA-N	324.258	1.944	50	20	DDGD	
Cc1cccc2c(CC(=O)NNc3ncnc4nc[nH]c34)c[nH]c12	173960010	LQRMPMSAKRCBFX-UHFFFAOYSA-N	321.344	1.828	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)NCc1ccco1	112881978	XCNMCYKFIHYWME-YPMHNXCESA-N	309.366	1.705	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc(Br)c[nH]2)n1	22235304	GOEUDXNSMCEXMP-UHFFFAOYSA-N	310.155	1.941	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1cccc(N2CCCNC2=O)c1	174585174	JSYWXLXEMYWBML-VAWYXSNFSA-N	314.345	1.989	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCO[C@@H](c2ccccc2)C1	171770031	FMXWYCZFSNMJNR-CYBMUJFWSA-N	305.378	1.847	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ncn(-c2ccccc2)n1	119041243	ODNIIKVIPFULEJ-UHFFFAOYSA-N	302.338	1.011	50	20	DDGD	
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NNC(=O)CC(C)(C)C	103181635	BIDAFXUJJSHYSW-NXEZZACHSA-N	300.403	1.056	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc2oc(=O)ccc2c1	55617354	KNIXDCDNUBDOTC-SECBINFHSA-N	324.358	1.149	50	20	DDGD	
CC(=O)N1CCC(C(=O)NNc2ccc(F)c(F)c2F)CC1	103275808	YBWLAPPOTOGXOP-UHFFFAOYSA-N	315.295	1.806	50	20	DDGD	
C[C@@H](NC(=O)CC1CCCCC1)C(=O)NNc1cnccn1	114882377	MSKFWGZPKXCNJP-LLVKDONJSA-N	305.382	1.395	50	20	DDGD	
O=C(/C=C/c1ccc(OC(F)F)cc1)NNC(=O)NC1CC1	64429066	RAWTUXXTPOAAGS-FPYGCLRLSA-N	311.288	1.794	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CC[C@H]2CC[C@H](C)O2)c(O)c1	175551456	VEYYUUXSTPKWFF-NWDGAFQWSA-N	306.362	1.809	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CSC[C@H]2CCCCO2)n1	171362602	WCWZOORDQWRWKG-GFCCVEGCSA-N	310.423	1.839	50	20	DDGD	
CCCNC(=O)N/N=C1\C(O)=Nc2cc3c(cc21)OCCO3	65998833	BDJQKMNQGREJTH-UHFFFAOYSA-N	304.306	1.473	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CCc2ccoc2)c1O	175538135	XKSFLIVNHCMFNG-UHFFFAOYSA-N	304.302	1.388	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	178845286	URLPACACLRTVNO-UHFFFAOYSA-N	300.274	1.373	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2ccc(F)cc2F)o1	175843714	HMGKFYQTOLSIBA-UHFFFAOYSA-N	310.256	1.706	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12	65192902	BXHJRCBHDAJAHH-UHFFFAOYSA-N	317.305	1.430	50	20	DDGD	
C#CCN1CCC(C(=O)NNc2oc(C(C)C)nc2C#N)CC1	69468535	GBUUKEPUMNRIEK-UHFFFAOYSA-N	315.377	1.458	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccccc2)c2c(C)noc2n1	21995141	GIWUOXYECROVAX-UHFFFAOYSA-N	310.313	1.914	50	20	DDGD	
CNC(=O)/C(C#N)=C\c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1	63277308	DQBHVYPLLXTEDT-XFFZJAGNSA-N	311.301	1.648	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1cc(C2CC2)[nH]n1	172400925	OPDNIFKQXRPUBR-UHFFFAOYSA-N	314.345	1.265	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)N[C@@H]1CCC[C@H]2OCC[C@H]12	189584517	JJAOORVDRTUCNT-IJLUTSLNSA-N	316.365	1.313	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc(C)cc1)Cc1ccoc1	72961934	FVPKEOYXKKFGBA-UHFFFAOYSA-N	315.373	1.871	50	20	DDGD	
Cc1ccc(C)c(NC(=O)NNC(=O)Cn2nc(C)cc2C)c1	186350773	KNUWZPCVWYCXBT-UHFFFAOYSA-N	315.377	1.970	50	20	DDGD	
CC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)c1ccc(C)s1	180652409	BKNIFQFMEVFPEJ-NSHDSACASA-N	311.407	1.368	50	20	DDGD	
Cc1ccc(Cl)cc1NC(=O)NN[C@H]1CCS(=O)(=O)C1	122024944	JDMHQGLPJQXEFR-JTQLQIEISA-N	317.798	1.462	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1	181489822	LVUDLEXBETWZFK-GDLCADMTSA-N	318.377	1.674	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cn(C)nc1-c1cccs1	180254501	QZMVHGWQQGZJPG-DHZHZOJOSA-N	316.386	1.818	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](C(=O)NNC(=O)Cc2ccc(F)cc2)C1(C)C	122557277	LKKMVVTZYNPVQU-UONOGXRCSA-N	320.364	1.767	50	20	DDGD	
CCCSCC(=O)NNC(=O)Cn1cnc2ccccc21	79273346	SFRVJUYEWFRRRL-UHFFFAOYSA-N	306.391	1.327	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)c2ccc(C)cc2O)cn1	180327261	JIHYVUVTYOIJKY-UHFFFAOYSA-N	302.334	1.382	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)NCC2CC2)cc1F	49152652	PEPRZWQWGCNOST-UHFFFAOYSA-N	301.343	1.037	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC(c2ccccc2)=NO1)c1ccccc1	47932475	KWYYUCCJCWJERJ-OAHLLOKOSA-N	309.325	1.641	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1ccc(C(=O)NC)cc1	71850500	DLTORXPAGKEDHT-PTNGSMBKSA-N	315.373	1.496	50	20	DDGD	
O=C(NNC(=O)c1ccncc1)Nc1cccc(-c2cc[nH]n2)c1	185968510	VTBPODMQMJDTPQ-UHFFFAOYSA-N	322.328	1.938	50	20	DDGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cccc[n+]1[O-]	134255932	JSGCXLQLSZVEEK-UHFFFAOYSA-N	313.235	1.976	50	20	DDGD	
O=C(NNc1cnccn1)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1	133343815	UDRJFSKLZLJFDG-STQMWFEESA-N	317.393	1.349	50	20	DDGD	
Cn1ncc2c1CCC[C@H]2NS(=O)(=O)CCCCCl	228331400	ZODKJVVISLUXNW-LLVKDONJSA-N	305.831	1.736	50	20	DDGD	
Cc1nc(Cl)ccc1NC(=O)NNC(=O)c1cccnc1	194570956	XXUDALJRCGDCRM-UHFFFAOYSA-N	305.725	1.905	50	20	DDGD	
CN(C)C(=O)NNC(=O)Cc1csc(-c2cccnc2)n1	194929787	SPAUMVXEPUKCJR-UHFFFAOYSA-N	305.363	1.050	50	20	DDGD	
COc1ccc(C(C)=O)cc1CC(=O)NNC(=O)CC(C)C	139117923	FUNCNRZJNXJHOC-UHFFFAOYSA-N	306.362	1.634	50	20	DDGD	
CCc1ccc(C(=O)NNc2nc3ccccc3c(=O)[nH]2)c(O)c1	190559680	SSLMBWXOHRQVAR-UHFFFAOYSA-N	324.340	1.948	50	20	DDGD	
CC(C)(C)C(=O)NCCC(=O)NNC(=O)NC1CCCCC1	192776349	SFNBVUFDSHGCSA-UHFFFAOYSA-N	312.414	1.202	50	20	DDGD	
COc1cc(C(=O)NNc2ccc(C(F)(F)F)cn2)on1	132319315	NHRITVMYZBGWMT-UHFFFAOYSA-N	302.212	1.854	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2ccc(OC(F)(F)F)cc2)CC1	134254271	IELXVWQSHPZDCG-UHFFFAOYSA-N	317.267	1.555	50	20	DDGD	
CCOC1CC(CCNC(=O)NNC(=O)Cc2ccncc2)C1	191710397	WWXCWRHCRMLVAZ-UHFFFAOYSA-N	320.393	1.160	50	20	DDGD	
CN(C)c1ccnc(C(=O)NNC(=O)CCc2ccccc2)c1	195225231	TYFRQVQSLATVGB-UHFFFAOYSA-N	312.373	1.541	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)C(C)(C)O)Cc1ccc(Cl)cc1	192928340	RQNHMTJUILDREB-JTQLQIEISA-N	312.797	1.827	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccn(CC(F)F)n2)n1	194250090	TVHAFVCARYTSTE-UHFFFAOYSA-N	312.280	1.012	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)NCCc1ccco1	144784548	MBMXXKCCHSWNQD-UHFFFAOYSA-N	317.345	1.622	50	20	DDGD	
Cn1c(=NNC(=O)NC[C@H]2CCCOC2)sc2ccccc21	254954993	DZWBPWIAKCOBFP-LLVKDONJSA-N	320.418	1.781	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)CNc2ccccc2OC)O1	268201793	GHQFNWKYSHUWJK-RISCZKNCSA-N	321.377	1.212	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)CCc1ccc(OC)cc1	265811949	YLNKWNYVIXXPKE-UHFFFAOYSA-N	317.345	1.639	50	20	DDGD	
COC[C@@H](NC(=O)NNc1ncnc2ccsc12)C1CC1	269747240	RHTFHAOBVPGDIK-SNVBAGLBSA-N	307.379	1.742	50	20	DDGD	
O=C(NNc1cnccn1)c1[nH]nc(C2CC2)c1Br	265122086	CQRYBBHRFBLLRP-UHFFFAOYSA-N	323.154	1.597	50	20	DDGD	
COC(=O)c1cc(OC(=O)C(=O)C(C)(C)C)ccc1[N+](=O)[O-]	265149335	VRZXAXUFRJTPFJ-UHFFFAOYSA-N	309.274	1.902	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)Nc1ccncc1	272922451	GOHFREHPYLGBBK-SECBINFHSA-N	323.353	1.148	50	20	DDGD	
COC(=O)N[C@@H](CC(C)C)C(=O)NNc1cccc(OC)n1	272490855	DWSMNNNXIYHYCR-JTQLQIEISA-N	310.354	1.304	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCOC[C@]12CCOC2	367024122	OKKWVIAJJZLZOD-ZWNOBZJWSA-N	320.227	1.814	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(C(=O)OC)cc1F	273390238	KKDZCPDCVZNQJA-QMMMGPOBSA-N	311.313	1.811	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNc1ncc(C(=O)OCC)c(C)n1	272194650	ODHDNQDQOQBUNZ-NSHDSACASA-N	324.381	1.610	50	20	DDGD	
Cc1ccc(C(=O)NCCC(=O)N2CC=C(C#N)CC2)c(O)c1	272667177	JEXCUXYXMQZCIO-UHFFFAOYSA-N	313.357	1.503	50	20	DDGD	
O=C([C@@H]1CCN(S(=O)(=O)CCCCCl)C1)N1CCCC1	376356158	XOLWVGFJIZVYBY-GFCCVEGCSA-N	322.858	1.280	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@H]2CCO[C@H](C)C2)c1	272056602	JNGRCZDGARBKGY-OLZOCXBDSA-N	306.362	1.336	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Nc1ccn(C(C)C)n1	280639014	BANPPRPGYXGDIX-UHFFFAOYSA-N	317.349	1.939	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1cc2n(n1)CCCC2	287388627	PFDUFTZWQVIMAN-UHFFFAOYSA-N	300.322	1.081	50	20	DDGD	
CN1Cc2ccccc2[C@@H](NC(=O)NNC(=O)c2ccccc2)C1	372292926	FRIPMEMYOGNYEJ-INIZCTEOSA-N	324.384	1.817	50	20	DDGD	
COc1ccnc(NNC(=O)CCc2cccc(OC)c2F)n1	285032510	FMGHFDRIDDIFSE-UHFFFAOYSA-N	320.324	1.709	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ocnc2C2CC2)cc1	289161614	RCYQCLSTCCZLKI-UHFFFAOYSA-N	315.329	1.700	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)COc2ccccc2OC)CC1	283014475	NMULOINAVGMHTD-UHFFFAOYSA-N	322.361	1.038	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1cccc(NC(=O)OC)c1	285256483	VAEPEHPIDBGDEP-ZRDIBKRKSA-N	303.318	1.925	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cnn(CCF)c2)cc1	286975893	FBHVDHOTIUZEGC-UHFFFAOYSA-N	320.324	1.001	50	20	DDGD	
CCn1cc(CNC(=O)NNC(=O)Cc2ccc(F)cc2)cn1	287068131	VMQHBRXWHMEFPE-UHFFFAOYSA-N	319.340	1.115	50	20	DDGD	
CC(C)NC(=O)NNC(=O)C(C)(C)c1cc(F)cc(C#N)c1	285232557	VPNJGNFADMKQBK-UHFFFAOYSA-N	306.341	1.714	50	20	DDGD	
Cc1oc(C(C)C)cc1C(=O)NNc1ccc(C(N)=O)nn1	287524099	BJHNUGGDBFLIJI-UHFFFAOYSA-N	303.322	1.357	50	20	DDGD	
Cc1ncc2n1CC[C@H](C(=O)NNC(=O)c1ccccc1F)C2	290052113	RWIURYOJADPGBK-NSHDSACASA-N	316.336	1.354	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc(Cl)nc2)c(C2CC2)n1	291431773	HTMSZEYNAMKZAG-UHFFFAOYSA-N	319.752	1.421	50	20	DDGD	
CCCc1csc(NC(=O)C(=O)NNc2ncccc2F)n1	807300155	BFYMGGCKSOUVCX-UHFFFAOYSA-N	323.353	1.712	50	20	DDGD	
O=C(NNc1ncccc1F)C(=O)Nc1ccccc1Cl	807302194	YWGCEWZTNFOKGN-UHFFFAOYSA-N	308.700	1.956	50	20	DDGD	
CC(C)Oc1ncccc1C(=O)NNc1ncnc2[nH]cnc12	806893423	WJDIFFNWLGGFTN-UHFFFAOYSA-N	313.321	1.292	50	20	DDGD	
CCC(CC)n1ncc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1C	294002030	VEILMPWBGIYPAE-HZMBPMFUSA-N	322.409	1.881	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C	293600338	CXVKSBLJYRRXTI-UBZWLNIWSA-N	321.421	1.924	50	20	DDGD	
C[C@H](NC(=O)[C@H](Br)C(C)(C)C)C(=O)NCCF	800598427	LPKONAUSYKGVKW-YUMQZZPRSA-N	311.195	1.386	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc3ccccc3nc2O)O1	294358227	VCXYLRDULWGTOM-ZANVPECISA-N	315.329	1.269	50	20	DDGD	
COCCn1cc(C(=O)NNC(=O)Nc2ccccc2)c(C)n1	801991067	CKBRHQNSURRSGY-UHFFFAOYSA-N	317.349	1.304	50	20	DDGD	
O=C(NCCc1ccccc1F)NNC(=O)[C@H]1CCCCO1	296046764	AWPMKQYOQQNRCX-CYBMUJFWSA-N	309.341	1.268	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNc2cccc(F)n2)cn1C	806347746	QSQLHZAIHBIBGJ-UHFFFAOYSA-N	307.285	1.494	50	20	DDGD	
CCOc1cccc2[nH]cc(CC(=O)NN(C)CCOC)c12	808074945	NHPAKUYQVYTOHS-UHFFFAOYSA-N	305.378	1.719	50	20	DDGD	
COCCCn1nccc1C=NNC(=O)c1cccc(C)n1	802713807	VHVTUZAGXGZAJP-UHFFFAOYSA-N	301.350	1.387	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)COCc2ccccn2)o1	806680393	SOQAJTFILNXZPR-UHFFFAOYSA-N	315.333	1.725	50	20	DDGD	
CCCN(CC)c1ccc(C(=O)NNc2ccncn2)cn1	295611876	YUWTXKWLMUGAFS-UHFFFAOYSA-N	300.366	1.865	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@@H]1CCCN1C(=O)C(F)(F)F	804770232	VBQBIPJHYLPCQR-ZETCQYMHSA-N	320.246	1.217	50	20	DDGD	
C[C@H](CCN(C)C)NC(=O)NNC(=O)CCOc1ccccc1	299444018	XSWUTTYKMBVKNC-CYBMUJFWSA-N	322.409	1.126	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)[C@@H](C)NC(=O)C(C)(C)C)c1	293869821	HRRSYTCCKHYKHY-SNVBAGLBSA-N	320.393	1.639	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCc1cncnc1)c1ccccc1	292183387	NFNGLCPOCJZQJZ-HNNXBMFYSA-N	312.373	1.750	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)Cn2ccc3ccccc32)nn1	807969470	FEDVFLOOLMLDTN-UHFFFAOYSA-N	310.361	1.964	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=S)NC1CCC1	814192207	SJKGDVKNCJXGFM-VIFPVBQESA-N	311.382	1.641	50	20	DDGD	
CC[C@H](C=NNC(=O)[C@H](C)NS(C)(=O)=O)c1ccccc1	814835612	WTTFKHSQXNSCJB-NWDGAFQWSA-N	311.407	1.220	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2cccc(Cl)n2)cn1	815727504	ATIXKAJNBLQFEX-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
COc1cc(C(=O)NN=C[C@H]2CCOC2)cc(OC)c1OC	812381204	XLMKHARKZURWKN-SNVBAGLBSA-N	308.334	1.465	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@@](C)(O)C2CCC2)cc1	813575282	QIQJWAFUXDZQCL-INIZCTEOSA-N	320.393	1.456	50	20	DDGD	
O=C(NCCc1cccs1)NN=Cc1c[nH]c(C(=O)O)c1	814818088	DHTKBSXJTAQPAF-UHFFFAOYSA-N	306.347	1.650	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccnnc1)c1ccc(OC)cc1	817693581	RJUSZEMQJKCPLY-AWEZNQCLSA-N	314.345	1.440	50	20	DDGD	
COC(=O)Cc1occc1C(=O)NNc1cccnc1Cl	810494604	UNEXQBAIVUEZFV-UHFFFAOYSA-N	309.709	1.800	50	20	DDGD	
O=C(CNc1ccccc1)NN=Cc1cnn(CC(F)F)c1	814213716	HGYMJJLRISXMBM-UHFFFAOYSA-N	307.304	1.710	50	20	DDGD	
CCC/C=C\C(=O)NNc1ccccc1S(=O)(=O)N(C)C	817054220	YYECNTGEWNJHOJ-WDZFZDKYSA-N	311.407	1.736	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)CCOc2ccccc2)n1C	811640487	UVIFAPSDAJEMFT-UHFFFAOYSA-N	315.377	1.405	50	20	DDGD	
CSc1nc(C)c(CCC(=O)NNc2nc[nH]n2)c(C)n1	816633945	SARJYNDMTLFUKA-UHFFFAOYSA-N	307.383	1.009	50	20	DDGD	
CCc1ccccc1OCCC(=O)NNC(=O)c1ccnnc1	817693216	KYBHOKUDNLAOLT-UHFFFAOYSA-N	314.345	1.269	50	20	DDGD	
CO[C@H]1CCC[C@H](C(=O)NNC(=O)COc2ccccc2O)C1	815509330	CYAXBOITBUBULQ-RYUDHWBXSA-N	322.361	1.124	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C1CCN([C@H]2CCSC2)CC1	816831519	WNBCOXMOVRKSTG-ZDUSSCGKSA-N	313.467	1.397	50	20	DDGD	
C[C@@H]1CCC[C@]1(C)C(=O)NNC(=O)Cc1cn2ccccc2n1	826759624	YDLBFXPELSQOHS-PXAZEXFGSA-N	314.389	1.851	50	20	DDGD	
COC(=O)CCCC(=O)NNC(=O)Nc1cc(F)cc(F)c1	822759919	AYQOIZGCFORSAV-UHFFFAOYSA-N	315.276	1.461	50	20	DDGD	
C[C@H]1CCC[C@]1(C)C(=O)NNC(=O)COc1ccccc1O	823180530	WGAKVACTKXCJEF-ZBEGNZNMSA-N	306.362	1.745	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(-c2ccc(OC)cc2)[nH]n1	495760008	FDWBZOGYKFGYET-UHFFFAOYSA-N	304.306	1.428	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H](C)OCC1CC1	822728449	SRSBACMVYVGZTF-SECBINFHSA-N	310.325	1.871	50	20	DDGD	
CCN(CCO)NC(=O)Cc1nc(-c2ccsc2)oc1C	823855692	BVGXNJJODCFDIT-UHFFFAOYSA-N	309.391	1.599	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1cc(N)ccc1F	495588194	LHDIPSUDZPQDCP-UHFFFAOYSA-N	324.356	1.773	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)C1	824901173	XWCTWSKAHCLUCS-JGVFFNPUSA-N	321.772	1.794	50	20	DDGD	
COc1ccc(NNC(=O)CN(C)C(=O)c2cccs2)cc1	729273559	XAYGJHJSUXPPAE-UHFFFAOYSA-N	319.386	1.972	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C/c1ccc(F)c(-c2nn[nH]n2)c1	824266268	ITERYTODNIVYMM-VZUCSPMQSA-N	314.324	1.685	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)C(C)(C)c2ccccc2)CO1	825957459	MAUFJKJIKVNNDY-DGCLKSJQSA-N	305.378	1.472	50	20	DDGD	
CCOC(=O)C1(CNC(=O)/C(C#N)=C\c2cnn(C)c2)CCC1	490974564	NMUMLFBCHNMPTE-QPEQYQDCSA-N	316.361	1.177	50	20	DDGD	
O=C(c1ccn(-c2ccc(Cl)cc2)n1)N1CC[C@@H](B(O)O)C1	585065419	XWHIOERAKBVPFC-SNVBAGLBSA-N	319.557	1.215	50	20	DDGD	
CNC(=O)[C@]1(C)CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1	491052733	WPWPGYJNZHJNOD-HOFZKYPUSA-N	315.348	1.717	50	20	DDGD	
C[C@H](C(=O)NNC(=O)NCC1CC1)N1CCc2ccccc2C1	736072300	GDAYDTPRPFYUFZ-GFCCVEGCSA-N	316.405	1.174	50	20	DDGD	
C[C@@H]1C[C@H]1c1ccc(-c2nc(-c3cccc(B(O)O)c3)no2)o1	585054336	SWGIIYCLBMOZFP-BXKDBHETSA-N	310.118	1.800	50	20	DDGD	
O=S(=O)(CBr)N1CC[C@H](c2cccnc2)C1	827897175	RKWDMHSISZAQRI-JTQLQIEISA-N	305.197	1.553	50	20	DDGD	
C/C(Cl)=C/C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	901268743	CQIDSIQNNBXQTG-HJWRWDBZSA-N	319.789	1.581	50	20	DDGD	
CC(C)CO[C@H]1CC(=NNC(=O)CN2CCCC2=O)C1(C)C	737422470	GLTQOFOUHZHANL-ZDUSSCGKSA-N	309.410	1.552	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1	495761015	GCZJOSYUIXNYLF-MRVPVSSYSA-N	313.335	1.805	50	20	DDGD	
Cc1ccc(F)c(CCNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	826922771	FEVQEHJQXMRLOL-YPMHNXCESA-N	323.368	1.432	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)Nc1ccnn1CC1CC1	822737894	UMDAECJEXIHVBX-UHFFFAOYSA-N	318.312	1.294	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(S(C)(=O)=O)cc1	490611384	QDNNNPQHQAZABQ-ZWSXMNCCSA-N	322.386	1.148	50	20	DDGD	
COC[C@@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)c1ccc(C)o1	491044204	BNWPZOATWIPTQD-CNTYAEFGSA-N	314.345	1.732	50	20	DDGD	
CC1(C)Cc2cccc(C=NNC(=O)N3CCOCC3)c2O1	737433067	DDXJFBFSZBFCCQ-UHFFFAOYSA-N	303.362	1.776	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cc(C(=O)OCC)cnc1C	490847228	WYCQXSLKXJYLDU-FMIVXFBMSA-N	303.318	1.949	50	20	DDGD	
C=CCN(CC=C)[C@@H](CNC(=O)NNC(=O)C1CCC1)C(C)C	732445105	DHLQPEHZXATLQZ-HNNXBMFYSA-N	322.453	1.816	50	20	DDGD	
CCOCC(=O)NNC(=S)Nc1ccc(OC)c(F)c1	731161293	UDKPKKCGARXPCY-UHFFFAOYSA-N	301.343	1.188	50	20	DDGD	
C[C@H](N)C[C@H](C)NC(=O)NNC(=O)c1c[nH]c2ccccc12	831197622	SJZZONPDQFPGCD-UWVGGRQHSA-N	303.366	1.238	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc21)c1ccccc1F	733214542	FVIXYDGLWWHUPB-LBPRGKRZSA-N	300.289	1.763	50	20	DDGD	
CCc1cc(NC(=O)NNc2cccc(C(=O)O)c2)n(C)n1	833672088	ZISDVYNNJSUZLP-UHFFFAOYSA-N	303.322	1.829	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H]2CCCN2C2CC2)ccc1F	837040157	XSISROTXBYCANB-AWEZNQCLSA-N	321.352	1.682	50	20	DDGD	
CC(C)OC(=O)[C@@H](NS(=O)(=O)CBr)C(C)C	832224504	CSPXRRGKSXILQL-QMMMGPOBSA-N	316.217	1.234	50	20	DDGD	
C[C@]1(C(=O)N2CCN(C3CCC3)CC2)C[C@H]1Br	906685695	NBJNLIXRUKFBKH-YPMHNXCESA-N	301.228	1.857	50	20	DDGD	
Cc1cc(Br)cc(CN2CC[C@H](B(O)O)C2)c1O	585076463	NYSATUMDJMPRDL-JTQLQIEISA-N	313.988	1.512	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNc1ccc(C(=O)O)cn1	833541133	ZGNYCECHOWPIBF-SECBINFHSA-N	319.292	1.830	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H](C)Cc2ccccc2F)nc1O	738506890	BPGFMONKFVSOPU-QMMMGPOBSA-N	305.313	1.347	50	20	DDGD	
Cc1ccc(NNC(=O)Cn2cc([C@@H](C)O)nn2)c(Cl)c1	836937660	JBHUHXJVFYUZRL-SECBINFHSA-N	309.757	1.437	50	20	DDGD	
C[C@H](CC(=O)Nc1cccc(B(O)O)c1)N1CCc2ccccc21	584912880	WZXREUBTVYQLEV-CYBMUJFWSA-N	324.189	1.146	50	20	DDGD	
CC(C)c1ccc(NNC(=O)CCn2cc[nH]c(=O)c2=O)cc1	837056373	ODKRJNUSXHBPQX-UHFFFAOYSA-N	316.361	1.193	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C(C)(C)C1	839503215	GUIYDBUTVQHMGZ-LBPRGKRZSA-N	314.389	1.440	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)Cc2ccc(F)cc2)cn1	918204586	LWBNPWAMJYKEQM-UHFFFAOYSA-N	301.321	1.462	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)COc1cc(Cl)cc(Cl)c1	910164058	RKYFREWRBDVAKD-MRVPVSSYSA-N	307.177	1.716	50	20	DDGD	
CCc1nc(CNC(=O)NNC(=O)Cc2ccccc2F)co1	838693134	BURUSJFUYGFJPF-UHFFFAOYSA-N	320.324	1.449	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNc2cccc(C(=O)O)c2)C1(C)C	833719688	SPTQNSCFECTPAF-RYUDHWBXSA-N	307.350	1.824	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccc2c(c1)OCO2)C(F)(F)F	742472133	KSEWBTVNAHKCRJ-ZCFIWIBFSA-N	304.224	1.375	50	20	DDGD	
O=C(NCc1cccc(F)n1)NNC(=O)c1ccccc1F	748045336	IIQVJHFYPXTROT-UHFFFAOYSA-N	306.272	1.504	50	20	DDGD	
C/C(=C\C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)C(C)(C)C	744354116	BKSPPLVMVLFCGC-ZKQHCESOSA-N	302.440	1.471	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)[C@@H](C)OCCOC)C12CCCC2	748260724	XBXNPKHRFDFHBP-OCCSQVGLSA-N	312.410	1.879	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NC[C@H]1Cc2ccccc21	919658036	KXVQIDKFDZGSGK-SECBINFHSA-N	301.268	1.609	50	20	DDGD	
CC(C)c1ccc(OCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	843647060	MFXXLFUXFRSETK-IUODEOHRSA-N	320.389	1.761	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)Cc2cc[nH]n2)cc1	743300421	DGWNGKQNVPNUOR-UHFFFAOYSA-N	319.390	1.369	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)C1CCCC1)C(=O)N2C	844574652	OIUWAFJILRVVLE-UHFFFAOYSA-N	301.346	1.682	50	20	DDGD	
Cc1nc(CNC(=O)NNC(=O)CCc2ccccc2)cs1	749928126	KLFCIAWWHSHZJQ-UHFFFAOYSA-N	318.402	1.915	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(OC)cc1OC	748260001	OFZUKKSZMMTBTM-LLVKDONJSA-N	310.350	1.205	50	20	DDGD	
CCc1c(C(=O)NNC(=O)N(C)C)cnn1-c1ccc(C)cc1	746005919	CGXWTMPNAAZXPX-UHFFFAOYSA-N	315.377	1.659	50	20	DDGD	
O=C(NNC(=S)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1	840775036	PPMVGDIFCNQLFJ-LLVKDONJSA-N	324.362	1.482	50	20	DDGD	
C[C@@H](OCc1ccccc1)C(=O)NNc1ncnc2[nH]cnc12	743470855	YLAHXAVXUYJQBS-SNVBAGLBSA-N	312.333	1.401	50	20	DDGD	
CCCN1CCC[C@H]1C(=O)NNc1oc(C(C)C)nc1C#N	749600804	ZJZMHRFNVNLBOM-LBPRGKRZSA-N	305.382	1.987	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H]1CCN(Cc2ccccc2)C1	848144294	QEWOXBBEVUMSMD-HNNXBMFYSA-N	301.390	1.456	50	20	DDGD	
COc1ccc(Br)c(NNC(=O)[C@@H](O)C(C)C)c1	840550776	LWMQPNUJBJHGTJ-NSHDSACASA-N	317.183	1.918	50	20	DDGD	
O=C(O)CCOc1ccc(C=NNC(=O)c2cnccn2)cc1	915959455	FILCWRBECDRUTH-UHFFFAOYSA-N	314.301	1.094	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)[nH]c2c1C(=O)CCC2	843978914	ZDTVTUPCYJTESE-NXEZZACHSA-N	319.361	1.028	50	20	DDGD	
C[C@@H](COCC(=O)NNC(=O)c1ncccn1)c1ccccc1	844584558	AWNHEVFBAFBJEC-LBPRGKRZSA-N	314.345	1.058	50	20	DDGD	
CC(=O)Nc1c(C)cccc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843971636	DEFIZQCVILEFBD-CMPLNLGQSA-N	319.361	1.139	50	20	DDGD	
Cc1cc(C(=O)NN(C)C[C@@H](C)O)c2c(C(C)C)noc2n1	910169693	VEHVKEKROASLJZ-SNVBAGLBSA-N	306.366	1.612	50	20	DDGD	
C[C@H](CSc1ccccc1)N(C)CC(=O)NNC(=O)C1CC1	844362137	ZFZRFTCNBNSMEQ-GFCCVEGCSA-N	321.446	1.656	50	20	DDGD	
CC(C)[C@@H](N)CNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	841942858	CAFSHQPHMANUDM-ZZTKBFGJSA-N	322.453	1.517	50	20	DDGD	
CCOC(=O)NN=C1C(=O)Nc2cc(OC(F)(F)F)ccc21	915048303	FNVUBQSLZYOFFN-UHFFFAOYSA-N	317.223	1.988	50	20	DDGD	
Cc1cccnc1[C@@H](NCC(=O)NNC(=O)C(C)(C)C)C(C)C	744401616	FZIBJDSPIZSJLT-AWEZNQCLSA-N	320.437	1.870	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@H]2CC23CCCC3)cn1	747523120	AXEPCIYMNRYGEI-LLVKDONJSA-N	320.418	1.988	50	20	DDGD	
CO[C@@]1(C)C[C@H](NC(=O)NNC(=O)CC(F)(F)F)C1(C)C	745935396	LYPMMZDHTISHDL-CPCISQLKSA-N	311.304	1.473	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc(-c2ccco2)s1	843653305	WTOAOJVONGOKBV-IUCAKERBSA-N	321.358	1.589	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)CC2CCN(C)CC2)cc1	846377825	MUPYTDHJLKJHCF-UHFFFAOYSA-N	319.405	1.577	50	20	DDGD	
CCn1ncc(C=NNC(=O)COc2ccc(C)c(C)c2)n1	841606136	ABBYYVLTBPTLHW-UHFFFAOYSA-N	301.350	1.444	50	20	DDGD	
CCC[C@H](O)C(=O)NNC(=O)c1ccc(Br)s1	929338472	VONOPQYPLNWOBD-LURJTMIESA-N	321.196	1.433	50	20	DDGD	
Cc1nnc(-c2cccc(C(=O)NNC(=O)C3CCCC3)c2)o1	746120919	DQDSLNLWSWUULO-UHFFFAOYSA-N	314.345	1.996	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)[C@H](C)NS(C)(=O)=O	928340471	SCNYLRMVHPPYIC-QMMMGPOBSA-N	305.787	1.029	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)Oc1ccccc1F)c1ccn(C)n1	841612508	KYHAXAUZIJEYGM-LLVKDONJSA-N	304.325	1.867	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N[C@H](CN)CC(C)C)c1ccccc1	841955147	ZDYJUWMLMCDDHE-LSDHHAIUSA-N	320.437	1.884	50	20	DDGD	
Cc1cc(CNC(=O)NC[C@]2(C)C[C@@H]2Br)n(C)n1	856856218	QRTMZEPSDIOUJK-JQWIXIFHSA-N	315.215	1.701	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCS[C@@H](C)CC1	755199865	QWPZSYVJDSIGNH-RYUDHWBXSA-N	301.456	1.396	50	20	DDGD	
Cn1cc(C=NNC(=O)c2cccn2C)c(-c2ccncc2)n1	920372920	ICLXUWPDEUCCMC-UHFFFAOYSA-N	308.345	1.585	50	20	DDGD	
C[C@@](O)(Cc1ccccc1)C(=O)NNC(=O)CC(F)(F)F	855000272	FIOCVYPNMWKSCY-GFCCVEGCSA-N	304.268	1.080	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1c[nH]c(C(F)(F)F)c1	855087125	FQNPOPLBRKYQDS-UHFFFAOYSA-N	320.340	1.943	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=S)NCC2CCC2)s1	855091141	CWNKQNBUIFXYHJ-UHFFFAOYSA-N	312.464	1.923	50	20	DDGD	
CCn1nc(C)c(C(=O)NC[C@]2(C)C[C@@H]2Br)n1	857387391	HPXALVRSXMTOJR-KWQFWETISA-N	301.188	1.510	50	20	DDGD	
C[C@@H]1C[C@H](CO)CN(C(=O)NC[C@]2(C)C[C@H]2Br)C1	856957560	AJZFZXFPVRNDAW-XZUYRWCXSA-N	319.243	1.820	50	20	DDGD	
C[C@H](O)CN1CCN(C[C@@H](CBr)C2CC2)[C@H](C)C1	859263466	ZZROVEJYBRRSAB-MBNYWOFBSA-N	319.287	1.794	50	20	DDGD	
Cc1ccc(OC(F)F)c(C=NNC(=O)C(=O)NC(C)C)c1	756823469	MSISLUNEPMDONV-UHFFFAOYSA-N	313.304	1.571	50	20	DDGD	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NNC(=O)Cc1cc[nH]n1	755269460	QEJIHDZUWYTIHO-YUTCNCBUSA-N	322.409	1.474	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)C1CCOCC1)N1CCCCC1	923064275	NWEKNACELHDUHE-AWEZNQCLSA-N	311.426	1.071	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)COc2ccccc2O)C[C@H]2CC[C@H]1C2	859270937	LNGDGQXSEOGGSM-PRXAMGSTSA-N	318.373	1.745	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)Nc1cnc(C2CC2)nc1	856835219	SGFBBADSHKZIDH-UHFFFAOYSA-N	305.729	1.946	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2CCn3cncc3C2)C[C@@H]1Br	857395495	SEIOXWKAMIVCBV-XHVZSJERSA-N	312.211	1.735	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NNC(=O)C2CCCC2)C1	751081031	PNWOFOYETPDBFN-TZMCWYRMSA-N	323.437	1.609	50	20	DDGD	
Cc1nnc(O)c(C(=O)NC[C@@]2(C)C[C@@H]2Br)c1C	857401122	XUERLIJMCSTPCR-QPUJVOFHSA-N	314.183	1.702	50	20	DDGD	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NNC(=O)c1cc[nH]n1	855359613	YIKXRNAOMVNOMZ-MBNYWOFBSA-N	322.409	1.648	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1ccccc1C)[C@@H]1CCCO1	756049661	FJRPHDOBDRVRHU-KGLIPLIRSA-N	305.378	1.897	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1cccc2c1OCCO2	756150606	XIXXYKUFBPDUQW-UHFFFAOYSA-N	302.290	1.252	50	20	DDGD	
CCOC[C@@H]1C(=O)N(C[C@@]2(C)C[C@H]2Br)C(=O)N1C	857228150	ZJMIYXIIFVADGP-KBVBSXBZSA-N	319.199	1.459	50	20	DDGD	
CC(C)(CCNC(=O)NC[C@@]1(C)C[C@@H]1Br)C(=O)O	857101152	QZBSRNIMVSLGMT-QPUJVOFHSA-N	321.215	1.960	50	20	DDGD	
COCCN1C[C@@H](C(=O)NNc2cc(F)ccc2C)CC1=O	855365074	BGSFDZXWROEBGK-NSHDSACASA-N	309.341	1.072	50	20	DDGD	
Cc1ncc(C=NNC(=O)[C@@H](C)CN2CCCCCC2)n1C	853280500	FPLRQVDCBJMKLV-ZDUSSCGKSA-N	305.426	1.691	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](C)COc2ccccc2)o1	752876840	AZORXANWIDGOQM-LLVKDONJSA-N	317.345	2.000	50	20	DDGD	
CS(=O)(=O)c1ccc(NNC(=O)CCC2(O)CCC2)cc1	866868757	AZAXFEDSUSCDFD-UHFFFAOYSA-N	312.391	1.228	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)C(=O)Nc2ccccc2)c1	769055820	IOAIPVIMKLTUMU-UHFFFAOYSA-N	315.720	1.688	50	20	DDGD	
COc1nccnc1NNC(=O)C(=O)Nc1ccc(C)c(C)c1	766260209	BLNHRTWUHCWHNC-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
COc1ccccc1N1CCC(=NNC(=O)c2cn[nH]c2)CC1	863154309	AEICGNKLJKYUQS-UHFFFAOYSA-N	313.361	1.805	50	20	DDGD	
COC(=O)[C@@H](C)c1cccc(NCc2ccccc2B(O)O)c1	864015048	BIVRCDITZHVWGH-LBPRGKRZSA-N	313.162	1.255	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@@H]1CCSC1	761850593	WLARRVQHCHGUIC-MRVPVSSYSA-N	314.794	1.863	50	20	DDGD	
Cc1nn(CC(F)F)c(C)c1C(=O)NNC(=O)NCC1CC1	760853241	GJHPITUSYQGDSH-UHFFFAOYSA-N	315.324	1.119	50	20	DDGD	
O=C(COC[C@@H]1CCCO1)NNCC(F)(F)C(F)(F)F	863095826	XGZQQSBVTPQBFL-ZETCQYMHSA-N	306.231	1.000	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)C2CSC2)cc1OC	864510201	WYDAHNBCQUFQDD-UHFFFAOYSA-N	310.375	1.218	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1cccc2c1ccn2C	763881004	CPDNUYMOMYHHHH-UHFFFAOYSA-N	316.361	1.310	50	20	DDGD	
C[C@]1(CCNCc2ccccc2B(O)O)CC1(Cl)Cl	863889559	DHUXXYNXGIQVSL-LBPRGKRZSA-N	302.010	1.430	50	20	DDGD	
Cc1cn2c(=O)c(C(=O)NN[C@H](C)C(F)(F)F)cnc2s1	862315560	DJEBGYFZLSTKJZ-ZCFIWIBFSA-N	320.296	1.250	50	20	DDGD	
O=C(CCCn1cnc2ccccc21)NNc1ncc(F)cn1	760923380	VLEIHADNSCOSBS-UHFFFAOYSA-N	314.324	1.889	50	20	DDGD	
CCCc1noc(CCCC(=O)NN=c2cc[nH]c(C)c2)n1	862510864	XBWURLIFIRTCAF-UHFFFAOYSA-N	303.366	1.613	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1cc(C(=O)O)ccc1F	865215219	LPCMUZKEMQKKQE-WQLSENKSSA-N	306.293	1.584	50	20	DDGD	
Cc1ccc([C@@H](C)[C@H](O)C(=O)NNC(=O)c2cccn2C)cc1	764634244	VVZWSOZZXIESOR-DOMZBBRYSA-N	315.373	1.259	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)N=c1cc[nH]cc1F	760020023	SRRNXBSVMHRYFO-UHFFFAOYSA-N	322.271	1.013	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1cccc2c1OCC2	861806658	KITMITDAEYAMEP-UHFFFAOYSA-N	321.333	1.116	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cc(-c2ccccc2O)[nH]n1	863867101	QYCHWFTVOICUSQ-UHFFFAOYSA-N	316.361	1.980	50	20	DDGD	
COc1cc(SC#N)ccc1OS(=O)(=O)c1cnc[nH]1	765721293	SGMXBOPTLZZSQV-UHFFFAOYSA-N	311.344	1.759	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)N1CCc2c(Cl)cccc21	763819799	DQSYVNMYPCUHTH-UHFFFAOYSA-N	309.753	1.033	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccc(-n2ccc(C)n2)c1	1115929685	QMKKFRPGMAVURS-UHFFFAOYSA-N	315.377	1.925	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1ccc(Cl)cc1O	872400724	ZMYOPXVIIUZFDT-UHFFFAOYSA-N	300.742	1.549	50	20	DDGD	
CC[C@H](NNC(=O)COCCOC)c1ccc(F)cc1F	871895858	AMKGJLZMEWNDLR-ZDUSSCGKSA-N	302.321	1.700	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)COc1cccc(C)c1	770589982	DBZFGPWGZWORQV-UHFFFAOYSA-N	300.362	1.820	50	20	DDGD	
CN(CC(=O)NNC(=O)CCOc1ccccc1)CC(C)(C)C	874250953	IDLBPVGYHMYLKE-UHFFFAOYSA-N	321.421	1.581	50	20	DDGD	
CC[C@@H]1CN([C@H](CC)C(=O)NNc2ccc(F)cn2)CCO1	874648438	PSAHJQHDCFWSAN-CHWSQXEVSA-N	310.373	1.553	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H](C)N1CCc2ccccc2C1	875100610	UEDMCQIJICUPSQ-GFCCVEGCSA-N	320.393	1.346	50	20	DDGD	
Cc1cc(C(=O)NNc2ccccn2)cc(S(N)(=O)=O)c1C	777473622	FWRQQMVVBOTNQI-UHFFFAOYSA-N	320.374	1.103	50	20	DDGD	
COCc1ccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)cc1	773541344	IJZCRMDQCWPMEU-UHFFFAOYSA-N	321.377	1.355	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccc(-c2cncnc2)cc1F	773747491	APYBKOXLDAMOBX-UHFFFAOYSA-N	300.293	1.454	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H](OC)c1cccc(Cl)c1	875326524	LWSNDUWCNRXERB-LLVKDONJSA-N	315.757	1.940	50	20	DDGD	
CC(C)(C#N)C(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1	770967636	RJCUZTJRGMPBAE-UHFFFAOYSA-N	317.353	1.280	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccccc1C(=O)NC(C)(C)C	878693428	VNSHKYQVJPLGIK-UHFFFAOYSA-N	322.409	1.830	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Cc1n[nH]c2c1CCCC2	777174819	GNMPHXDNBAYFDF-UHFFFAOYSA-N	312.373	1.601	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Cc2nc3ccccc3n2C)C1	776336518	JGHWMXMVLHAZRZ-NWDGAFQWSA-N	314.389	1.699	50	20	DDGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)c1n[nH]c2c1CCC2	771591506	BVPMFCWWTVSKRV-UHFFFAOYSA-N	305.269	1.703	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1cccc(C)c1Cl	775672720	KLXSBZIFIXSILZ-UHFFFAOYSA-N	305.787	1.551	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1c(OC)ccc2ccccc12	779821417	VKMSZFYSADKLTB-UHFFFAOYSA-N	315.329	1.655	50	20	DDGD	
Cc1ccncc1[C@H](C)NC(=O)NNC(=O)c1ccc(C#N)cc1	771444191	XLIRXZHWQNUFKF-LBPRGKRZSA-N	323.356	1.967	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)NC[C@H]1C=CCC1	883416560	XZVBWXWYVOXHPH-LBPRGKRZSA-N	319.361	1.371	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCc1cccc(OC)c1F	887149442	WRVLMJVHJUYXFO-UHFFFAOYSA-N	306.337	1.718	50	20	DDGD	
CO[C@@]1(C(=O)NNC(=O)c2cccc(N(C)C)c2)CCSC1	887645820	HWFQUOCZHBQQFC-HNNXBMFYSA-N	323.418	1.036	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](O)[C@@H](C)c1ccccc1F	887153171	KHJQRGKZPBPSPA-NHYWBVRUSA-N	306.337	1.241	50	20	DDGD	
CC(C)O[C@@H](C(=O)NNC(=O)c1cccnn1)c1ccccc1	882058123	CSHQEVQIJSCUBC-CQSZACIVSA-N	314.345	1.404	50	20	DDGD	
CN(C)Cc1ccnc(NC(=O)NNC(=O)CC2CCCC2)c1	880599893	CVONNVJNVFAGRC-UHFFFAOYSA-N	319.409	1.876	50	20	DDGD	
C[C@H](Cc1ccccc1)NC(=S)NNC(=O)c1cnccn1	786057754	LVVICWJZYUYXEB-LLVKDONJSA-N	315.402	1.217	50	20	DDGD	
CCOC1(CNC(=O)NNc2ccc(C#N)cn2)CCCC1	889098123	JNLDKUJGFMKIPE-UHFFFAOYSA-N	303.366	1.929	50	20	DDGD	
CC(C)CC(=O)NN=Cc1c[nH]ccc1=NC(=O)C(C)(C)C	783814036	ZYHIJGWARRRZHF-UHFFFAOYSA-N	304.394	1.984	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)nc1	781527058	QGJDENWXVCOROL-SNVBAGLBSA-N	306.366	1.180	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)CCc1ccccc1)[C@@H]1CCCOC1	780042185	BPJIXRKNBDXCCS-DZGCQCFKSA-N	319.405	1.765	50	20	DDGD	
O=C(CN1Cc2ccccc2C1=O)NNc1ncncc1Cl	781819024	VPTROOLLDANZAG-UHFFFAOYSA-N	317.736	1.229	50	20	DDGD	
C[C@@H](NC(=O)NNc1c(F)cccc1Cl)c1ncn(C)n1	780704826	MHVOIKKLACPOPQ-SSDOTTSWSA-N	312.736	1.995	50	20	DDGD	
O=C(/C=C/c1ccc(Cl)cc1)NNC(=O)C1CCOCC1	894096487	XCLQPAZOVZSMRO-ZZXKWVIFSA-N	308.765	1.927	50	20	DDGD	
CCC[C@@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)c1nn[nH]n1	787412549	BKBGGPJMKIDGHT-RUNBWSAHSA-N	312.333	1.470	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H]1C[C@@H]1c1cc(OC)ccc1OC	788088227	JFJMRQJYTFPHKP-ZYHUDNBSSA-N	307.350	1.158	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC[C@@H](C)C#N)c2ccccc2n1	781950608	OBFPVZIJYQQOOR-JTQLQIEISA-N	311.345	1.647	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@H]1CCC(=O)c2ccccc21	786281015	YJRITKGTSBUURR-HNNXBMFYSA-N	323.352	1.532	50	20	DDGD	
COCc1nc(C)c(C(=O)NNC(=S)NC(C)(C)C)s1	899996656	PCKUCWMGYQEJJD-UHFFFAOYSA-N	316.452	1.505	50	20	DDGD	
CCc1nn(C)cc1NC(=O)C(=O)NNc1ncccc1Cl	784816381	YJPFIMYGMMAXGN-UHFFFAOYSA-N	322.756	1.113	50	20	DDGD	
C/C(=C(\F)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1)C1CC1	899975078	LRDNPEVCYZGUPF-JLHYYAGUSA-N	319.336	1.734	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C[C@@](C)(O)c1ccccc1	899996185	PPXHQHMTCLHZRT-OAHLLOKOSA-N	309.435	1.578	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@@H]2CCCCS2)n1	793086699	VMCYPXWSVFQALO-NSHDSACASA-N	308.407	1.620	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2CCC(O)CC2)cc1OC	792013857	YNVNRFLWXOIREL-UHFFFAOYSA-N	322.361	1.016	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)c1ccc2c(c1)OCO2	792790603	YPHJIQMTHUPSCF-VHSXEESVSA-N	318.329	1.182	50	20	DDGD	
C[C@@H]1COC(=O)C1=NNC(=O)c1ccc(Br)s1	794881391	JRGBENRRLYQHLE-RXMQYKEDSA-N	317.164	1.789	50	20	DDGD	
C[C@H]1CSCC1=NNC(=O)c1nnc(O)c2ccccc12	794874098	YJNOZODTTXWEII-QMMMGPOBSA-N	302.359	1.804	50	20	DDGD	
C[C@@H]1CC[C@H](CNC(=O)NNC(=O)COc2ccccc2O)C1	793280388	LIVFHGDPMBYJPK-NEPJUHHUSA-N	321.377	1.538	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](c1cccnc1)C(C)C	797903780	AYJMIYAFRMUQCY-RISCZKNCSA-N	321.377	1.310	50	20	DDGD	
O=C(NNc1ncccn1)[C@H](O)c1cccc(C(F)(F)F)c1	795047678	RCZFCLQBAOYSQK-SNVBAGLBSA-N	312.251	1.672	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@H]1Cc2ccc(F)cc21	798125896	ZYCGAXISFBDCIX-ZDUSSCGKSA-N	307.394	1.761	50	20	DDGD	
Nc1cnnc(NNC(=O)CCOCC(F)(F)F)c1Cl	1319220970	YOKPJDIWCUZWAM-UHFFFAOYSA-N	313.667	1.124	50	20	DDGD	
COC(=O)c1cccc(/C=C(/C#N)C(=O)N=c2cc[nH]cc2)c1	1319798769	LPVNAUUXEAKIIM-UVTDQMKNSA-N	307.309	1.836	50	20	DDGD	
Cc1nn(C)cc1CCC(=O)NNC(=S)Nc1ccccn1	1329892820	UIFVHSSGSKOAAD-UHFFFAOYSA-N	318.406	1.074	50	20	DDGD	
COc1ccccc1CC(=O)NN=CC(C)(C)S(C)(=O)=O	1320193419	AXISPOBXZGPGAV-UHFFFAOYSA-N	312.391	1.163	50	20	DDGD	
Cc1cc(=NC(=O)NNC(=O)c2ccccc2Cl)cc[nH]1	1323845507	QUPJQWYAEULJNH-UHFFFAOYSA-N	304.737	1.932	50	20	DDGD	
O=C(NNC(=O)C12CCC(CC1)C2)c1n[nH]c2c1CCCC2	1320172653	CEKMYELHPCGONH-UHFFFAOYSA-N	302.378	1.630	50	20	DDGD	
CSCCNC(=S)NNC(=O)Cc1ccc(Cl)cc1	154049992	OGDDWDXPRMCTGK-UHFFFAOYSA-N	317.867	1.741	50	20	DDGD	
CC(C)(C)n1cc(C=NNC(=O)c2n[nH]c3c2CCCC3)nn1	1255677414	ZXAXCSQGIHHMSG-UHFFFAOYSA-N	315.381	1.399	50	20	DDGD	
CCO[C@@H](C)c1noc(CN2CCN(C(=O)CCl)CC2)n1	1253969030	YDIUNMCJWHQRBI-JTQLQIEISA-N	316.789	1.050	50	20	DDGD	
CO[C@H]1CCC[C@H]1C(=O)NNC(=O)c1ccc2c(c1)OCCO2	1338607384	HMAMRFWQXIKNKV-NEPJUHHUSA-N	320.345	1.034	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@@H]2CCC=CO2)cc1	1338530436	DJOKTWHSBFHQIT-ZDUSSCGKSA-N	305.334	1.332	50	20	DDGD	
CCN(CCO)NC(=O)CN(CC(C)C)C(=O)OC(C)(C)C	1332467606	ACANJFRKWBQIHJ-UHFFFAOYSA-N	317.430	1.225	50	20	DDGD	
CC(C)(C(=O)NNc1nncc(N)c1Cl)c1cccnc1	1337486276	FBHSUBDTYYPUFG-UHFFFAOYSA-N	306.757	1.528	50	20	DDGD	
C[C@@]1(C(=O)N2CCc3nnc(O)cc3C2)C[C@H]1Br	1262171837	IQNRQLFWHPIIOT-BXKDBHETSA-N	312.167	1.240	50	20	DDGD	
Cc1cccc(C)c1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1333092273	FCCBJJNVECCJTH-UHFFFAOYSA-N	312.373	1.980	50	20	DDGD	
Cn1ccnc1CCC(=O)NNc1cccc(Br)n1	1263839909	QJKJNQFTENBSSC-UHFFFAOYSA-N	324.182	1.654	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(C(C)(C)C)cc1)c1nnnn1C	1348017954	GXTARABWVHMZAE-SNVBAGLBSA-N	317.397	1.895	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)N[C@@H]2C=CCCC2)c1	1340262933	SYEINUQQVKYQTQ-GFCCVEGCSA-N	319.361	1.757	50	20	DDGD	
CC(=O)NNC(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12	1356559542	GCIFBCYGEJYSCS-UHFFFAOYSA-N	309.276	1.325	50	20	DDGD	
O=C(O)CNC(=O)CNC(=O)CCCC[C@@H]1CCSS1	1602068916	DQMSIXUWQUBFQA-SECBINFHSA-N	320.436	1.018	50	20	DDGD	
O=C(NNC(=O)C12CCC(C(=O)O)(CC1)CC2)NC1CCCC1	1608477858	OJSHEKWBFNJUHN-UHFFFAOYSA-N	323.393	1.685	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNc1ccc(C(=O)O)c(F)c1	1603297810	APKMDYWAXWXMSR-UHFFFAOYSA-N	311.313	1.129	50	20	DDGD	
CC1(CNC(=O)NNc2ccc(F)c(C(=O)O)c2)CCNCC1	1604577398	JRLGSMOIETYTLJ-UHFFFAOYSA-N	324.356	1.540	50	20	DDGD	
N#Cc1cccc(C(=O)NNc2cccc(F)c2C(=O)O)n1	1601116739	MISQBSJDZBIIFS-UHFFFAOYSA-N	300.249	1.547	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)c1ccccc1-n1cnnn1	1602472780	HKIPTKWAVQIAPC-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)Nc2ccccc2)c(C(=O)O)nn1C	1600009736	QIHLWWSCUKYKPY-DHZHZOJOSA-N	310.313	1.972	50	20	DDGD	
Cc1ccn([C@H](C)CC(=O)NNc2ncccc2C(=O)O)n1	1605359723	HLAPJZMJIQCWAD-SNVBAGLBSA-N	303.322	1.379	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2nc[nH]c3nccc2-3)c(F)c1	1608905126	AVJIJDUUFQTGSN-UHFFFAOYSA-N	315.264	1.504	50	20	DDGD	
CCCCCCNC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1604176064	KANMQZGDKAEMAB-UHFFFAOYSA-N	304.358	1.468	50	20	DDGD	
O=C(O)COc1cccc(NC(=O)NNc2ccncn2)c1	1608764836	UCBCIEDWYXLNJH-UHFFFAOYSA-N	303.278	1.089	50	20	DDGD	
CC(CCC(=O)O)=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1	1609737621	DQLQOJHWLJCRBN-WXHSDQCUSA-N	313.398	1.089	50	20	DDGD	
O=C(NN=C1C[C@H]2C[C@@H](C(=O)O)[C@H]1C2)[C@@H]1Cc2ccccc2O1	1601552370	SBPTYQNPKNZXMB-CGEWXTDFSA-N	314.341	1.593	50	20	DDGD	
C[C@@](CCF)(NS(=O)(=O)c1ccc(CCl)cc1)C(=O)O	1604142863	UULJPJBPVMYZOJ-LBPRGKRZSA-N	323.773	1.907	50	20	DDGD	
COc1cncc(C(=O)NNc2ccc(F)c(C(=O)O)c2)n1	1607354809	ZZLVRRTYVHQPTO-UHFFFAOYSA-N	306.253	1.079	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1cccc(N)c1	1549319607	IDKQTUUELVMMIA-HOCLYGCPSA-N	316.405	1.362	50	20	DDGD	
Cc1c([C@@H]2CN(C[C@@H]3[C@H](C)[C@@H]3Cl)C[C@H]2C(N)=O)cnn1C	1550648151	FUJQLWWALVEZQJ-QRMQYGNKSA-N	310.829	1.103	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@@H]1Cc2cc(F)ccc2O1	1574820488	QRUUXKWIPQTCNT-LBPRGKRZSA-N	317.276	1.366	50	20	DDGD	
CSSCCNC(=O)c1c(C)cnn1[C@H]1CCCNC1	1579385264	XAUGCDKHXNCOSA-NSHDSACASA-N	314.480	1.857	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)CCCCCN	1579155621	QZYMBVPXMCYLPX-UHFFFAOYSA-N	313.785	1.629	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@H]1C[C@]12CCNC2	1578851817	XWFIJZVVGINXTK-PSLIRLAXSA-N	307.325	1.055	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@H](N)CC(C)C)cc1F	1578872919	LRTRTZMBDURBKZ-SNVBAGLBSA-N	311.357	1.819	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@]1(C)C[C@@H](O)CN1	1579646347	AKXNYEJNDUJHKT-WBMJQRKESA-N	300.362	1.099	50	20	DDGD	
C[C@@H]1C[C@@]1(C)C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2	1845084742	IMCGFUMSACGKSO-GBIKHYSHSA-N	302.777	1.770	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1ccno1)C2	1845164203	RQVWZYGYRNNXOE-SNVBAGLBSA-N	311.769	1.509	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)C2=COCC2)C1	1846709764	YNXHZZCORJGQFL-LBPRGKRZSA-N	312.797	1.511	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](C(=O)O)C(C)C)c([N+](=O)[O-])c1	1594106013	UCDRFAWYZBGDDU-NSHDSACASA-N	311.294	1.403	50	20	DDGD	
Cc1c(NNC(=O)c2ccc(C(=O)O)cn2)cccc1[N+](=O)[O-]	1594269172	ZCDBVXHZWABIHF-UHFFFAOYSA-N	316.273	1.753	50	20	DDGD	
COc1ncc(C=NNC(=O)c2cccc(C(=O)O)c2)s1	1776095746	RJTMBKGBUPQYFN-UHFFFAOYSA-N	305.315	1.614	50	20	DDGD	
O=C(O)COc1ccc(C=NNC(=O)c2cn[nH]c2)cc1Cl	1776094037	YFJUJAGPKSNCMM-UHFFFAOYSA-N	322.708	1.290	50	20	DDGD	
CC(C)OCCCNC(=O)/C(C#N)=C\c1cncc(C(=O)O)c1	1776351851	DFDBIWLMFMHNAE-MLPAPPSSSA-N	317.345	1.618	50	20	DDGD	
COCCCS(=O)(=O)/C(C#N)=C/c1ccc(CC(=O)O)cc1	1777206925	DMHNEYYLHQNPFI-NTEUORMPSA-N	323.370	1.629	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC1(F)F)[C@H](F)Cl	1797733161	ASJXYVKKKHNRJC-ZOZBQHSOSA-N	324.730	1.814	50	20	DDGD	
CC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)=O	1795442168	KPQSLDMASWWZLX-USZNOCQGSA-N	300.786	1.231	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cccc(Cl)c2)n1	15462335	ORRBEQJOANHXPP-UHFFFAOYSA-N	306.753	1.615	50	20	DDGD	
Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NNc1ccccc1	151268970	OIHPMEKIZANKAJ-MRXNPFEDSA-N	322.372	1.909	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCc1ccc(OC)cc1)N(C)C	151445901	LHUIPYBSCCAEMH-AWEZNQCLSA-N	307.394	1.115	50	20	DDGD	
CCc1ccc(NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cc1	152782066	LWCHVYJTVKUHKR-AWEZNQCLSA-N	311.407	1.452	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H](C)Cc1ccccc1F	157241867	RTDHZASVWBDWCQ-LLVKDONJSA-N	311.357	1.371	50	20	DDGD	
C[C@H](O)[C@H]1CCCN1S(=O)(=O)c1ccc(CCl)cc1	917413047	UQARRIYCFMRCKJ-GXFFZTMASA-N	303.811	1.959	50	20	DDGD	
COCC(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C	57388243	YGLOMDVHQBGMEA-UHFFFAOYSA-N	301.346	1.502	50	20	DDGD	
Cc1cccnc1[C@@H](NC(=O)NNC(=O)[C@@H]1CCCO1)C(C)C	115841562	MRVFDSVECZJSRP-STQMWFEESA-N	320.393	1.597	50	20	DDGD	
Cc1cc(NNC(=O)CCn2cncn2)ccc1Br	114889797	HATRJWAYNVGJGZ-UHFFFAOYSA-N	324.182	1.882	50	20	DDGD	
Cn1cnc(C(=O)NNC(=O)c2c(Cl)cccc2Cl)c1	179318896	JZSUSBWDJZIAQA-UHFFFAOYSA-N	313.144	1.802	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1cc2cc(Cl)ccc2[nH]1	106417420	AIHUZDWYLXGDED-UHFFFAOYSA-N	317.736	1.548	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)c2cnn(C)c2)c1C	117678732	RKTNPYVYTYIEHC-UHFFFAOYSA-N	316.361	1.267	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCc1cccc(F)c1F	110760356	ZYTDURDLPCOMNX-UHFFFAOYSA-N	308.288	1.390	50	20	DDGD	
C[C@H]1CCN(C(=O)NNC(=O)COCc2ccccc2)[C@@H]1C	177002428	TZRHSYUPQNLPBL-QWHCGFSZSA-N	305.378	1.674	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2Oc3ccccc3O[C@H]2C)ncn1	172279866	MERVEBRLTZODJQ-HZMBPMFUSA-N	300.318	1.457	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1cnccn1	24627851	ZZQZANIMPXGGSH-UHFFFAOYSA-N	306.709	1.213	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(CC)Cc1ccc(OC)cc1	111202908	JVOIUSHCIOEZGJ-GFCCVEGCSA-N	307.394	1.463	50	20	DDGD	
O=C(CN1CCCC1=O)NNc1ncc(Cl)cc1Cl	132814023	FFOWEGXGXPPQLG-UHFFFAOYSA-N	303.149	1.454	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CC[C@]3(CCOC3)C2)cc(C#N)n1C	177043064	RTLCDDORTUCZRP-APSGNOSNSA-N	324.384	1.751	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1ccc(OC(F)F)cc1	64426050	FTXQZAQLILLJQU-UHFFFAOYSA-N	315.320	1.961	50	20	DDGD	
CC(C)[C@@H](C)CC(=O)NNC(=O)c1ccc2c(c1)OCCO2	67796238	QTAIGUHOTZJASQ-NSHDSACASA-N	306.362	1.901	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCC(=O)NCC)c1C	67508210	RMCFWVYAGDRJJQ-DHDCSXOGSA-N	316.405	1.674	50	20	DDGD	
Cn1cnnc1CNS(=O)(=O)c1ccc(CCl)cc1	302523577	PPSOUUDMVWZYDP-UHFFFAOYSA-N	300.771	1.032	50	20	DDGD	
CC1(C)CCC[C@H](C(=O)NNC(=O)CNC(=O)c2ccco2)C1	179418022	CWDSQHVSLIZZAL-NSHDSACASA-N	321.377	1.373	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)n[nH]1	121055075	LKOKEIWSKDMTAB-UHFFFAOYSA-N	324.344	1.112	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)N[C@@H]1CC12CCCCC2	180546836	NEAGKYQEXXAPSW-CYBMUJFWSA-N	302.378	1.677	50	20	DDGD	
COc1cccc(NNC(=O)c2cnn(-c3ccccn3)c2C)n1	180698476	FZWFVCFYFMJBAV-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
Cc1cccc2[nH]cc(CC(=O)NNC(=O)Cc3cc[nH]n3)c12	186154908	LUVCOUFUMVBBMZ-UHFFFAOYSA-N	311.345	1.132	50	20	DDGD	
COc1cccc(OC)c1CC(=O)NNC(=O)c1ccc(C)o1	127205442	NWMIQXIUHHPGNC-UHFFFAOYSA-N	318.329	1.609	50	20	DDGD	
CCc1ccc(C(=O)NNc2ccccn2)cc1S(C)(=O)=O	181200353	JBODCJDKDQPNBQ-UHFFFAOYSA-N	319.386	1.804	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)CCOC(C)C)c1	73520506	RJLUPDWLOZNDAF-UHFFFAOYSA-N	308.378	1.645	50	20	DDGD	
CCCC(=O)N1CCCC[C@H]1C(=O)NNc1cc(C)nc(C)n1	128776095	BAVGINMMONNEKQ-ZDUSSCGKSA-N	319.409	1.718	50	20	DDGD	
CCc1ccnc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1	181689887	KRQBHRZPLZDRGU-UHFFFAOYSA-N	314.301	1.627	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCCOc1ccc(F)cc1	124595728	YKVXGQNCOJIZGK-UHFFFAOYSA-N	311.357	1.971	50	20	DDGD	
COc1ccc(F)cc1NC(=O)NNC(=O)c1ccncc1	183459598	SKUKADLMTANABP-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CNc2ccccc2)ccc1C	73302495	IIEJGLXBTYDKAX-UHFFFAOYSA-N	313.357	1.877	50	20	DDGD	
Cc1noc(CCCC(=O)NNC(=O)c2ccccc2F)n1	46752706	ORTQIUSBSANDFD-UHFFFAOYSA-N	306.297	1.301	50	20	DDGD	
O=C(CNS(=O)(=O)CCCCCl)Nc1cccc(F)c1	184412618	BTVHOPPAIGQDCJ-UHFFFAOYSA-N	322.789	1.703	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)[C@@H](C)Sc1nncn1C	184303049	IJZRPNBYPYZDGK-SECBINFHSA-N	309.370	1.887	50	20	DDGD	
COc1nccnc1NNC(=O)[C@H](C)OCc1ccccc1	131925557	VAKLJQADKFYDOT-NSHDSACASA-N	302.334	1.534	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccnc2Br)o1	136752997	CTOQCMASASWSHC-UHFFFAOYSA-N	324.134	1.820	50	20	DDGD	
O=C(CCC(=O)NC1CCCC1)NNc1nc2ccccn2n1	191924198	DZLHPZODWZWUEF-UHFFFAOYSA-N	316.365	1.011	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)N(C)CC(F)(F)F)s1	192188094	SHOUMACAGWIBMF-MRVPVSSYSA-N	323.340	1.700	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C(C)C)N2CCCCC2)o1	84373799	LQEBOQFAKSVZCR-CQSZACIVSA-N	307.394	1.860	50	20	DDGD	
COC(=O)N(C)CC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	48069981	NKQOQVKSJGVFSG-UHFFFAOYSA-N	321.377	1.443	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@H](C)NC(=O)C2CCCC2)o1	84373625	VOZKKXLTIUJJPU-JTQLQIEISA-N	321.377	1.434	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)C(C)(C)O)c1cccc(Cl)c1	192924412	FPYDOEKRZOCXIE-LBPRGKRZSA-N	312.797	1.998	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc3c(c2)ncn3C)n1	132814247	NULWAKLLRGYYQD-UHFFFAOYSA-N	312.333	1.437	50	20	DDGD	
O=C(NCCOc1ccc(Cl)cc1)NNC(=O)c1ccc[nH]1	193285502	GCPYHOWAIJKQGU-UHFFFAOYSA-N	322.752	1.691	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCCOC1CCCC1	195466153	HKGZSKGTECJGAZ-UHFFFAOYSA-N	319.405	1.909	50	20	DDGD	
CCC1(CC)[C@@H](N(C)CC(=O)NNC(=O)C2CC2)C[C@H]1OC	140732897	HYRUPDDFJFRIDZ-QWHCGFSZSA-N	311.426	1.069	50	20	DDGD	
O=C(NCc1nccs1)NNC(=O)c1cccc([N+](=O)[O-])c1	194538736	HDHPMPRXOBBIEZ-UHFFFAOYSA-N	321.318	1.196	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCC(=O)N(C)C)cc1	255544947	CSUQWBHKIXTMNT-LCYFTJDESA-N	301.346	1.197	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2ccncc2)n1	254808346	QMZNPQZWNQPDMY-UHFFFAOYSA-N	301.375	1.731	50	20	DDGD	
C[C@@H]1CC[C@H](CCC(=O)NNC(=O)COc2ccccc2O)O1	266461150	QIADFWZGSBATPN-VXGBXAGGSA-N	322.361	1.266	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1C1CCCC1)c1ccccc1O	269731956	VDQVRRHBLWUBMC-AWEZNQCLSA-N	317.389	1.560	50	20	DDGD	
COc1cc(C(=O)NNC(=O)NC2CCC2)cc(OC)c1OC	264469908	UJNDIZAEKIZCCP-UHFFFAOYSA-N	323.349	1.209	50	20	DDGD	
C/C=C(\C)C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	267519544	NFNKNFYVQYTPDR-RMKNXTFCSA-N	308.334	1.440	50	20	DDGD	
O=C(NCc1nc2ccccc2s1)NNC(=O)C1CCC1	264767999	VKMBUKUKWGWLFZ-UHFFFAOYSA-N	304.375	1.927	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H](C)N2[C@@H](C)CC[C@H]2C)n1	279757395	DSBUZZXRKJZJDX-XQQFMLRXSA-N	304.394	1.412	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1nnc(-c2ccco2)s1	271350168	HFDNBRTYNWQVMG-UHFFFAOYSA-N	309.351	1.997	50	20	DDGD	
Cc1nn(C)c2ncc(S(=O)(=O)N3CC=C(C#N)CC3)cc12	272727904	GOJRGIYTJSMOCB-UHFFFAOYSA-N	317.374	1.121	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@H]2CC23CCOCC3)c1	363315283	TWPYUJWKIWATNS-CQSZACIVSA-N	318.373	1.338	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)CC2CC2)cc1C	273439497	YADAEIZCXQSTDP-UHFFFAOYSA-N	305.334	1.734	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C2(C)COC(C)(C)OC2)cc1	271090809	IACRPMAIRZIUQW-UHFFFAOYSA-N	320.389	1.799	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	273531736	ZBOUIDFUEZJREN-UHFFFAOYSA-N	322.361	1.282	50	20	DDGD	
CC(C)n1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C(C)(C)C)n1	276821100	GDLKBAQABBZCDO-AAEUAGOBSA-N	322.409	1.676	50	20	DDGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCN2C(=O)OC[C@H]2C1	370549860	RDGAEGXXGHMRKE-QVXXFUFASA-N	314.301	1.596	50	20	DDGD	
O=C(NNC(=O)[C@@]1(O)CCc2ccccc2C1)c1ccccc1	376768682	OKJJJZQCXFMLAF-GOSISDBHSA-N	310.353	1.368	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@H]2CCOC[C@@H]2C)cc1	287044639	TWJGMQQFNVSIKH-SWLSCSKDSA-N	319.405	1.866	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H](NC(=O)c1cccs1)C(C)C	286172108	BXBRMCVOHQTZRV-JTQLQIEISA-N	313.379	1.232	50	20	DDGD	
CSC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	281399891	YMXRHSALLFKIMK-NSHDSACASA-N	323.418	1.388	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H]2C[C@H]2Cc2ccccc2)n1	280793960	GTADWKUDFRQMRX-GDBMZVCRSA-N	324.384	1.965	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)CCC(N)=O)c1C	286300673	VSYJTXLYUKDKGG-XNTDXEJSSA-N	316.405	1.756	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)Cc2ccc(Cl)cc2)O1	800317584	BYLLNMCMCSEQCG-GPCCPHFNSA-N	310.781	1.843	50	20	DDGD	
COc1cnc(NC(=O)NNc2ncncc2Cl)s1	806513261	FMJRFACWTVJRHK-UHFFFAOYSA-N	300.731	1.744	50	20	DDGD	
Nc1ccc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])cn1	807951576	AQSYVNUMERKGOG-UHFFFAOYSA-N	315.289	1.101	50	20	DDGD	
COc1cccc(NNC(=O)NCc2cnn3ccccc23)n1	805779807	DIXGRCADOQQFSC-UHFFFAOYSA-N	312.333	1.564	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2cccc(F)n2)c(C)c1	807391903	AKBRILUIUQMLKZ-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
CSSCCNC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1	807225630	DKJJBSIORVIFQZ-LLVKDONJSA-N	321.512	1.484	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COC(F)F)c2ccccc2n1	803162632	GFHLJBLFVQUKBO-UHFFFAOYSA-N	309.272	1.543	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)CC(C)C)sc1C(=O)O	298869662	UEEUGDQDRAVFEF-UHFFFAOYSA-N	320.392	1.110	50	20	DDGD	
Cn1c(=NNC(=O)c2cccc(C#N)n2)sc2ccccc21	809934849	DWILCZIGWONLRB-UHFFFAOYSA-N	309.354	1.752	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CCC(C)=O)ccc1OC(C)C	298286448	AXSAWAGKROSNHM-UHFFFAOYSA-N	322.361	1.613	50	20	DDGD	
C[C@H](NC(=O)NNc1ccncn1)[C@H]1OCCc2sccc21	296889549	BGIHYQRDXPPRTI-TVQRCGJNSA-N	319.390	1.867	50	20	DDGD	
CCOc1ccc(NNC(=O)c2c(C)nn(C)c2OC)cc1	293782230	ACHBXYNPZHTALA-UHFFFAOYSA-N	304.350	1.893	50	20	DDGD	
O=C(NNc1ncncc1Cl)Nc1cc2ccccn2n1	806648480	ZMEHWGIZJWXAON-UHFFFAOYSA-N	303.713	1.926	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NCc1occc1C	813843870	HXBNMEYQGOLBBS-UHFFFAOYSA-N	301.346	1.970	50	20	DDGD	
C[C@H]1Sc2ccc(C(=O)NNc3cnnn3C)cc2NC1=O	816769402	GRNDEIDSNXSSON-SSDOTTSWSA-N	318.362	1.005	50	20	DDGD	
Cc1nc(C(=O)NNc2ccccc2S(C)(=O)=O)c(C)o1	815827765	NDEDKHPNXPJXLR-UHFFFAOYSA-N	309.347	1.452	50	20	DDGD	
CCC(=NNC(=O)CNC(=O)c1ccco1)c1cccc(N)c1	814827074	TUDCRJFWFGLUGW-UHFFFAOYSA-N	314.345	1.522	50	20	DDGD	
N#CSCCCNC(=O)C(=O)NCCCc1ccccc1	819698174	CRAACJHICOTSBN-UHFFFAOYSA-N	305.403	1.456	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=Cc1c(C)nn(C)c1N	814725331	ZLQCUIXRKLOUGQ-UHFFFAOYSA-N	315.377	1.402	50	20	DDGD	
O=C(NN=C1COc2ccccc21)[C@@H]1COc2ccccc2O1	814701074	NNYHOEODJGYLBT-INIZCTEOSA-N	310.309	1.739	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)[C@H](C)Oc1ccccc1F	811633631	QTDCZLXUCPRWMW-NWDGAFQWSA-N	321.352	1.754	50	20	DDGD	
CCC(=NNC(=O)Cc1cc[nH]n1)c1cc(C(=O)O)ccc1F	814957684	MSXVBMFLCGVAOV-UHFFFAOYSA-N	318.308	1.720	50	20	DDGD	
COc1ccc(C2(C(=O)NN(C)C3CC3)CCOCC2)cc1	819646293	RDCGQHHTUIWWKI-UHFFFAOYSA-N	304.390	1.869	50	20	DDGD	
COCCCNC(=O)NN=Cc1nccn1CC(F)(F)F	727685004	UZKOOMZRFOXGCZ-UHFFFAOYSA-N	307.276	1.115	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)[C@@H]2CCCCO2)cc(C)n1	817170503	FUOUULKSGUUYBF-ZDUSSCGKSA-N	306.366	1.098	50	20	DDGD	
CCc1cccc(OCC(=O)NNC(=O)Cc2cccnc2)c1	728856478	QKKONIBEZWSNGN-UHFFFAOYSA-N	313.357	1.413	50	20	DDGD	
Cn1nncc1NNC(=O)c1cc(Cc2ccccc2)ccc1O	816769732	UHLVLNNOACFQNL-UHFFFAOYSA-N	323.356	1.868	50	20	DDGD	
CN(C)c1cc(NC(=O)NNC(=O)c2ccccc2)ncn1	810224222	SNFXMIQSRKRQAK-UHFFFAOYSA-N	300.322	1.009	50	20	DDGD	
CCc1ccc(C#CC(=O)NNC(=O)NCc2ccco2)cc1	814627179	VHIRWZNKNZPTTC-UHFFFAOYSA-N	311.341	1.724	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)[C@@H]1c1ccccc1	827289637	UNJBJSXKNHEASF-GBOPCIDUSA-N	317.389	1.845	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NOC2CCOCC2)cc(C#N)n1C	490908927	MEYLAPNNUBHIMX-QPEQYQDCSA-N	314.345	1.339	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=O)c2cccc(N(C)C)c2)CC1	822223412	UGIPPCGXCWLAHO-UHFFFAOYSA-N	303.362	1.273	50	20	DDGD	
Cc1ncc2n1C[C@H](C(=O)NN(C)C(=O)OC(C)(C)C)CC2	497237495	SQFHZAUPIPAJKL-LLVKDONJSA-N	308.382	1.652	50	20	DDGD	
C[C@@H](Cc1cncc2ccccc12)C(=O)NN(C)[C@@H](C)CO	823924006	XBPJRWIHBOYDDJ-STQMWFEESA-N	301.390	1.757	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(C)c1	823474245	IDBWKVWRVVWKID-RISCZKNCSA-N	306.362	1.119	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CC(C)(C)CNC(=O)OC(C)(C)C	823384922	XICSERHRPHIOPG-NSHDSACASA-N	317.430	1.271	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)C[C@@H]1CC[C@H]2C[C@H]12	822205223	OYRJLNOGXPCZEU-MJVIPROJSA-N	306.337	1.788	50	20	DDGD	
CC[C@H]1CCC[C@@H]1C(=O)NNC(=O)CNC(=O)OC(C)(C)C	496909354	PLUGVGHLIZPPSL-QWRGUYRKSA-N	313.398	1.485	50	20	DDGD	
CCN(CCO)NC(=O)CCN(C(=O)OC(C)(C)C)C(C)C	823856754	ZAYMAEJWAXNSDL-UHFFFAOYSA-N	317.430	1.367	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)NCC(Cl)Cl)C2	497035875	GXKZTWDPSKBKDF-CIUDSAMLSA-N	307.177	1.549	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cc(F)c(OC)c(F)c1OC	496966825	FCZNPJYBQXGKCM-UHFFFAOYSA-N	319.264	1.765	50	20	DDGD	
CCn1cc(Br)cc1C(=O)NN(C)C(=O)OC	495824294	HPJDFHDHBQROFH-UHFFFAOYSA-N	304.144	1.614	50	20	DDGD	
OB(O)[C@H]1CCN(Cc2cc(Cl)c3c(c2)OCCCO3)C1	585077387	UEZCTTKWRQTJER-NSHDSACASA-N	311.574	1.550	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1	823964524	AYKGYRIXFWFHTG-ZFWWWQNUSA-N	323.412	1.382	50	20	DDGD	
CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2ccc(B(O)O)c(F)c2)C1	584930748	QTAFPRLEOKRGHU-YVEFUNNKSA-N	319.185	1.546	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1cc(Cl)ccc1F	901964854	RRERVMPMQWMDKI-UHFFFAOYSA-N	318.757	1.592	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)[C@H](C)CN1CCCCC1	491350726	PSLMMBKQPUGFMA-CQSZACIVSA-N	301.394	1.088	50	20	DDGD	
CCOC(=O)[C@H](CCc1ccccc1)NNC(=O)CC1CC1	901546826	GCERYCKKMHPMEM-HNNXBMFYSA-N	304.390	1.972	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCc2cccnn2)cc(C#N)n1C	491087209	WIDBZKLUFNBSED-MLPAPPSSSA-N	306.329	1.219	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1C[C@@H]2CCCCCC[C@H]21	584959689	KGTDYTZGLNAEAM-XHDPSFHLSA-N	305.158	1.300	50	20	DDGD	
CC(C)OCc1ccc(CNCc2ccc(B(O)O)cc2)cc1	585017199	OZCJXZHMOJSYHQ-UHFFFAOYSA-N	313.206	1.581	50	20	DDGD	
CN(C)C(=O)c1cccc(CNC(=O)NNC(=O)C2CCC2)c1	732240632	HOKBDNPUSSNZTP-UHFFFAOYSA-N	318.377	1.019	50	20	DDGD	
CN(CC(=O)NNc1ccnc2cc(Cl)ccc12)C(=O)O	737393630	QJWRQJPIWNMACQ-UHFFFAOYSA-N	308.725	1.941	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21	905138395	OPKZVZMSSRZUJG-IUIKQTSFSA-N	311.341	1.083	50	20	DDGD	
C[C@H](OC[C@@H]1CCCCO1)C(=O)NN(C)C(=O)OC(C)(C)C	496189450	XOAMGPPOHOQTBR-RYUDHWBXSA-N	316.398	1.859	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNc1ccccc1S(C)(=O)=O	732303525	HPWNEHDPTCPNEJ-UHFFFAOYSA-N	323.374	1.381	50	20	DDGD	
Cc1cc2c(cc1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C)OCO2	831620605	FDQFFAQBEGKRHA-UWVGGRQHSA-N	321.333	1.301	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C	490830039	BCEXIHSMYNSIBR-LLVKDONJSA-N	313.398	1.579	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@]2(O)CCCC2(C)C)cn1	491044812	DCKKKWLOBYLRHP-VXXVJXPCSA-N	302.378	1.384	50	20	DDGD	
C[C@@H](CNC(=O)c1ccc(B(O)O)cc1)Cc1cccs1	584950312	JBKPYVDIELQTPH-LLVKDONJSA-N	303.192	1.037	50	20	DDGD	
O=S(=O)(CCl)NCC1CCN(c2ccncc2)CC1	831024423	MUMAYXZIJBIBCK-UHFFFAOYSA-N	303.815	1.414	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc(OC)c(OC)c1O	901153623	JEMFKARKWKTELV-UHFFFAOYSA-N	323.393	1.591	50	20	DDGD	
CCS[C@H]1CCCCN(C(=O)c2ccc(B(O)O)cc2)C1	584946126	YBRJGEGENMWCLC-AWEZNQCLSA-N	307.224	1.114	50	20	DDGD	
C[C@@H](CC(F)(F)F)c1nc(-c2ccc(B(O)O)cc2)no1	585053856	IFNAFWIGAXWOMX-ZETCQYMHSA-N	300.045	1.472	50	20	DDGD	
NCCOCC(=O)NNc1c(F)cc(F)cc1Br	831970712	KRYGJQQNYWCMPU-UHFFFAOYSA-N	324.125	1.146	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Cc1ccc(OCC#N)cc1	732052225	MCXJZYNISSBKEL-UHFFFAOYSA-N	323.352	1.901	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cncnc2C2CC2)cc1	836218429	QBRPJRIXKKYLTG-UHFFFAOYSA-N	310.357	1.991	50	20	DDGD	
C[C@H]1CC[C@@H](CNC(=O)NNC(=O)c2cccc(N(C)C)c2)O1	838743009	SMEFADJGDAZEOX-FZMZJTMJSA-N	320.393	1.264	50	20	DDGD	
Cc1sc(-c2ccco2)nc1C(=O)N1CC[C@H](B(O)O)C1	585069663	ORMDXLACPMBYOL-VIFPVBQESA-N	306.152	1.400	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2cc(C(F)(F)F)ccn2)C1=O	832969451	ZLDVALBOLBVRDO-QMMMGPOBSA-N	302.256	1.022	50	20	DDGD	
CC(=NNC(=O)c1cccc(S(C)(=O)=O)c1)c1cncs1	734746898	XYIQUMRNHSLJDD-UHFFFAOYSA-N	323.399	1.701	50	20	DDGD	
O=C(CCCCCc1cccs1)NNC(=O)c1ncon1	832825903	LJBGSEIXYWKRSA-UHFFFAOYSA-N	308.363	1.695	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1cc2c(cn1)CCC2	836703076	WGGSVRAGSCJDSG-UHFFFAOYSA-N	311.345	1.361	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)[C@@H]1CC(=O)N(C2CC2)C1	730288687	WDKSOBUETOAHJQ-LLVKDONJSA-N	310.357	1.111	50	20	DDGD	
CC(=O)NNC(=O)c1cccc(COc2ccccc2C#N)c1	734178712	URVNZUGMSCZLGV-UHFFFAOYSA-N	309.325	1.918	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2cccc(N(C)C)c2)CCCC1	837318353	ZKFJNBCMQMYFOE-UHFFFAOYSA-N	319.405	1.720	50	20	DDGD	
CCc1nnsc1C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	737291642	GXEANEHFNSSSIV-UHFFFAOYSA-N	323.286	1.926	50	20	DDGD	
C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)NNC(=O)N=c1cc[nH]cc1	836299955	LQGRIWHYRHMHJQ-MDZLAQPJSA-N	305.382	1.664	50	20	DDGD	
C=CCCC(=O)OCC(=O)NNC(=O)c1cc(C)c(CC)s1	736808359	RJECTKKKOVUCAD-UHFFFAOYSA-N	324.402	1.889	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc2ccncc2s1	833235301	ANUUGPSNCWGZAG-SNVBAGLBSA-N	305.359	1.626	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNc1cc(O)nc2ncccc12	913996217	MGEHRESVJAXSAK-FZMZJTMJSA-N	314.345	1.760	50	20	DDGD	
CC[C@@H]1CCC[C@H]1CNC(=O)NNC(=O)Cc1ccncc1	836558764	OMCMRMJFHNROMD-KGLIPLIRSA-N	304.394	1.781	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2CC1	830854901	IYVWJESSXUKJAV-XUXIUFHCSA-N	305.422	1.324	50	20	DDGD	
Cc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H]2CCCCO2)cc1	833262008	SNZDQKSLUKIZBG-JSGCOSHPSA-N	306.362	1.479	50	20	DDGD	
CN1CCC[C@@H]1CNC(=O)NNc1c(F)cc(F)cc1F	914393905	RPVYVMZEUOTQQO-SECBINFHSA-N	302.300	1.824	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2ncccn2)[C@@H]1c1ccccc1	841592680	VLWQTBRFLYCJLX-YPMHNXCESA-N	311.345	1.524	50	20	DDGD	
CS(=O)(=O)N1CCC(=NNC(=O)CCc2ccccc2)CC1	747629711	CYPGMTXDERIXGZ-UHFFFAOYSA-N	323.418	1.147	50	20	DDGD	
CSSCCNC(=O)[C@@]1(c2ccccc2)CNC(=O)C1	847024030	DNVYSJNNXOROEG-CQSZACIVSA-N	310.444	1.572	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)C(C)(C)c1ccc2c(c1)OCCO2	910167224	FJLQZWWCEULRSA-LLVKDONJSA-N	308.378	1.079	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NC[C@H](OC)C2CC2)cc1	845221310	UBHMUOXLLJURPC-AWEZNQCLSA-N	321.377	1.453	50	20	DDGD	
COC[C@@]1(CNC(=O)NNc2cccc(F)c2F)CCCN1	841998612	SNQPGZNPUKNNHG-AWEZNQCLSA-N	314.336	1.360	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)N[C@H]1CCSC1	743592019	VQZCLAGPSJMKBL-LBPRGKRZSA-N	318.402	1.477	50	20	DDGD	
CCN[C@H](C)CNC(=O)NNC(=O)c1cccc2ncccc12	841983668	DZILXHADTUKTGC-LLVKDONJSA-N	315.377	1.177	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1csc(Br)c1	914555623	VNUUPIMUHRUVQW-UHFFFAOYSA-N	318.196	1.485	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNc1ccc(F)c([N+](=O)[O-])c1	842251197	OQRBLRWFYKWWGX-VIFPVBQESA-N	312.301	1.325	50	20	DDGD	
CCC[C@@H](C)NC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	915886951	IVGBPYFLOXPMEF-GFCCVEGCSA-N	320.393	1.761	50	20	DDGD	
CN(C)C(=O)NN=C1CCS(=O)(=O)c2ccc(Cl)cc21	745602468	REXOAWDACDLQPF-UHFFFAOYSA-N	315.782	1.493	50	20	DDGD	
NC[C@@H](NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)C1CC1	841946309	JEVJSDHMPWKWTE-HSVOFOGUSA-N	320.437	1.271	50	20	DDGD	
Cc1nonc1COC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	741439533	TUEKBCUJNCNFAV-UUILKARUSA-N	311.301	1.547	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)c1cc([N+](=O)[O-])ccc1O	745475660	HPVYRQORDGBGKD-UHFFFAOYSA-N	319.248	1.514	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)OCC(=O)NC2CC2)c1	849204061	PSKQVQKWWDEQHA-GHXNOFRVSA-N	300.314	1.424	50	20	DDGD	
CCOC(=O)C[C@@H](N/C=C(/C#N)C(=O)OCC)C(F)(F)F	849173888	AEABVIFJSVBPAU-UFGYOYAJSA-N	308.256	1.431	50	20	DDGD	
CN(CCO[Si](C)(C)C(C)(C)C)Cc1nc(=O)n(C)[nH]1	844344462	YXCNXUFDLBCMGK-UHFFFAOYSA-N	300.479	1.562	50	20	DDGD	
C[S@](=O)c1ccc(C(=O)NNC(=O)NC2CCCC2)cc1	744053996	MAOWTQQASKEKOS-NRFANRHFSA-N	309.391	1.311	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@@H]1CCO[C@H](c2ccccc2)O1	847620141	HLYQGZXWBHHOMN-JSGCOSHPSA-N	318.308	1.563	50	20	DDGD	
C[C@H]1NCCC[C@H]1NC(=O)NNC(=O)CCc1ccccc1	841974439	VDBVMLPHUSWOMN-TZMCWYRMSA-N	304.394	1.090	50	20	DDGD	
CCCNCCNC(=O)NNc1ccc(OC(F)F)cc1	841960767	FPQAPWGNIVAKQJ-UHFFFAOYSA-N	302.325	1.914	50	20	DDGD	
COC1CCC(CCNS(=O)(=O)CBr)CC1	758608839	XZMCXGVLVXNLHS-UHFFFAOYSA-N	314.245	1.854	50	20	DDGD	
CC(=O)N[C@H](CCC(C)C)C(=O)NNc1ccc(Cl)nn1	857130935	XVCXHTDSZGLDNZ-SNVBAGLBSA-N	313.789	1.514	50	20	DDGD	
CN(C)C1(CNC(=O)NC[C@@]2(C)C[C@H]2Br)CC1	922984316	ZFLHGJINBKDVRF-MWLCHTKSSA-N	304.232	1.553	50	20	DDGD	
C[C@@]1(CNC(=O)NOC2CCOCC2)C[C@@H]1Br	856850288	WMJIDWMKFHNOPS-ONGXEEELSA-N	307.188	1.570	50	20	DDGD	
C[C@H](C[S@@](C)=O)NC(=O)NNc1ccc(Cl)cc1F	921925048	OWEUOFXHLVFLMZ-QOLSBQFWSA-N	307.778	1.872	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cc2c(cc1F)CCC(=O)N2	755740556	JFAXKTIGARXEJE-UHFFFAOYSA-N	322.340	1.909	50	20	DDGD	
Cc1c(CN)c(NC(=O)[C@@H](Br)C(C)(C)C)nn1C	852900176	RZGCPXNQCKPJHW-SECBINFHSA-N	317.231	1.935	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)N[C@@H]1C[C@@H]2CCCCN2C1=O	852379441	PXTREBLOTYULFZ-WDEREUQCSA-N	323.784	1.515	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N2CC[C@H]3C[C@@H]3C2)c(OC)c1	852070136	OSKIROPATBNAID-WDEREUQCSA-N	319.361	1.400	50	20	DDGD	
CN(C)c1nccc(NNC(=O)CCc2ccc(F)cc2F)n1	752624983	SDEZTVWSHIDMHM-UHFFFAOYSA-N	321.331	1.897	50	20	DDGD	
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NNc1cccnn1	753077565	HNUIDJOZBUGPPV-UHFFFAOYSA-N	302.294	1.208	50	20	DDGD	
CN(NC(=O)[C@H]1CCC(=O)N(c2cccc(F)c2)C1)C1CC1	854983740	RONDRNFXTLAQDS-NSHDSACASA-N	305.353	1.694	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)C1(c2cccnc2)CC1)C1CC1	855099676	KYARSEKBGPKCES-SNVBAGLBSA-N	304.419	1.407	50	20	DDGD	
Cc1c(NNC(=O)c2cccc(=O)n2C)cccc1[N+](=O)[O-]	757140349	CJPSCDUBKILTNS-UHFFFAOYSA-N	302.290	1.359	50	20	DDGD	
Cn1cnc2cc(CNC(=O)NNC(=O)OC(C)(C)C)ccc21	924678335	DXKRMZJJOSDPEA-UHFFFAOYSA-N	319.365	1.812	50	20	DDGD	
Cn1ncc(C2CC2)c1C=NNC(=O)Cn1cnc2ccccc21	853268367	BIHWKEWHJCNBQW-UHFFFAOYSA-N	322.372	1.798	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC12CCC2)c1nnc(O)c2ccccc12	759690126	RVOATUBNUWZPNK-LLVKDONJSA-N	312.329	1.287	50	20	DDGD	
CC(=O)c1csc(C(=O)NNC(=S)N[C@@H](C)C2CC2)c1	855101194	RRQUPNUHPRSCKX-ZETCQYMHSA-N	311.432	1.858	50	20	DDGD	
COc1ccc(NCC(=O)NN=C(C)c2nccn2C)cc1	755487370	BPVVDIAQXKXWIJ-UHFFFAOYSA-N	301.350	1.381	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1cc(F)cc(Cl)c1	757387188	IIHMDENWEJZYFF-UHFFFAOYSA-N	306.688	1.902	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cncc(N3CCOCC3)c2)cc1	757140645	BDJWCLZNXURQLI-UHFFFAOYSA-N	323.356	1.547	50	20	DDGD	
O=C(NCCOC1CCCCC1)NNC(=O)c1cccc(F)n1	852709939	GRHZBDAVTFYPCG-UHFFFAOYSA-N	324.356	1.514	50	20	DDGD	
CCc1ccnc(C(=O)NN(C)C(=S)NCCCOC)c1	854283021	DTVASHDMBBUZKE-UHFFFAOYSA-N	310.423	1.132	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)[C@@H]2[C@H]3CCCCCC[C@H]32)nn1	857150921	VYNQRSBFZJKBOS-IWIIMEHWSA-N	303.366	1.235	50	20	DDGD	
CCOC(=O)C1(CC(=O)NNC(=O)c2cccc(F)n2)CCC1	856427125	PTNMXENVGCRIFV-UHFFFAOYSA-N	323.324	1.105	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CC1	855104342	IHPGCDOSKMEMRF-SSDOTTSWSA-N	323.378	1.084	50	20	DDGD	
CN(C)C(=O)c1ccc(CNC[C@@]2(C)C[C@@H]2Br)[nH]1	856806982	JTJQFXWNVBCTAI-WCQYABFASA-N	314.227	1.980	50	20	DDGD	
CC(C)C[C@@H](CO)NC(=O)NC[C@]1(C)C[C@H]1Br	856894537	UJQJTYNGMWDBMR-UMNHJUIQSA-N	307.232	1.866	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)NC(=O)NNc1ccc(Cl)cn1	852372929	IGGLQJOUROPJSL-VIFPVBQESA-N	308.773	1.726	50	20	DDGD	
COC(=O)C(C)(C)CNC(=O)NC[C@]1(C)C[C@@H]1Br	856842457	MAPLENGDFXXFLN-UFBFGSQYSA-N	321.215	1.658	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H](C)OCc1ccc(C)cc1	858783023	IIZBGJCCRLEFPK-CYBMUJFWSA-N	323.393	1.267	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CO)c(Sc2ccccc2)n1	753445280	XGCMODKXUXKUSP-UHFFFAOYSA-N	317.370	1.295	50	20	DDGD	
CC(F)(F)CC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855832888	KXBLONSBEGBMSI-UHFFFAOYSA-N	307.341	1.122	50	20	DDGD	
CCOC(=O)C[C@H]1CCCCC1=NNC(=O)c1cnn(C)c1	754942540	AWWXRYZCXCJQDD-LLVKDONJSA-N	306.366	1.649	50	20	DDGD	
O=C(C[C@@H](O)c1cccc(F)c1)NNC(=O)c1ccccn1	757983114	POMAHZFJVSVKLK-CYBMUJFWSA-N	303.293	1.105	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1ccc2nc[nH]c2n1	755210017	CGXBMDJUQDJIMG-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
C=CCC[C@H](CO)NC(=O)NC[C@]1(C)C[C@@H]1Br	856957982	IVBAWDBVFDVKHQ-SCVCMEIPSA-N	305.216	1.786	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCS[C@H]2CCCC[C@@H]21	752358308	AYLKKDQGWXMOCJ-RYUDHWBXSA-N	313.467	1.540	50	20	DDGD	
COCc1nc(C(=O)NNCC(F)(F)C(F)(F)F)cs1	863094857	VWHJMDZPVMHIKM-UHFFFAOYSA-N	319.255	1.722	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C2CCSc3c(F)cccc32)N1	863144916	HNWNEOZCVAXGKM-LLVKDONJSA-N	307.350	1.420	50	20	DDGD	
CNc1ncnc2cc(C(=O)NN[C@@H](C)C(F)(F)F)ccc12	862321922	CGNRVCAUAMVTIR-ZETCQYMHSA-N	313.283	1.857	50	20	DDGD	
CCOc1cc(C=NNC(=O)Cc2cc(C)[nH]n2)ccc1O	767395613	GOGWTKNUNHRVFC-UHFFFAOYSA-N	302.334	1.515	50	20	DDGD	
O=C(NNC(=O)C1(C(F)(F)F)CCCCC1)c1cn[nH]c1	862469597	PODFRILOHDUNES-UHFFFAOYSA-N	304.272	1.684	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)nc1	765249790	QFBAMJHSVYWNDN-VHSXEESVSA-N	305.334	1.317	50	20	DDGD	
Cc1cccc(NNC(=O)C(=O)Nc2cc(C(C)C)on2)n1	861959029	UXIWGYONBHLRQX-UHFFFAOYSA-N	303.322	1.583	50	20	DDGD	
CC(Cc1ccc(Cl)cc1)=NNC(=O)CS(C)(=O)=O	863187304	GQNIEJMUCFXBCU-UHFFFAOYSA-N	302.783	1.419	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCc1cccnc1O	863494331	NCGMVNOCYLVYKO-UHFFFAOYSA-N	308.769	1.769	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H]1CCN(C(=O)c2ccccc2)C1	861293367	DLJOHZJDTSHTDS-HNNXBMFYSA-N	324.384	1.995	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cc2c(cc1C)OCO2	764692494	CBOXGKLQDSXJKT-UHFFFAOYSA-N	317.305	1.671	50	20	DDGD	
CC(C)(C(N)=O)C(=O)NNC(=O)Cc1cccc2ccccc12	767488117	BLVNHWRSGSZPOR-UHFFFAOYSA-N	313.357	1.041	50	20	DDGD	
CCCCOC(=O)CSCC(=O)NNC(=O)c1ccccc1	865377585	JVJTWZYTFWJYAR-UHFFFAOYSA-N	324.402	1.524	50	20	DDGD	
CC(C)COc1ccc(C=NNC(=O)[C@@H]2CCC(=O)N2)cc1	863149214	UULHXGYOAOFXGG-AWEZNQCLSA-N	303.362	1.450	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccn(C3CCCC3)n2)n1	764324626	UYEJSSOJYZSNFP-UHFFFAOYSA-N	315.381	1.611	50	20	DDGD	
COC1([C@@H](C)NC(=O)NNc2cccc(C)n2)CCOCC1	875679917	POUGKNJRTVSNEI-GFCCVEGCSA-N	308.382	1.600	50	20	DDGD	
CNC(=O)c1ccc(C)c(NC(=O)NNc2ncc(F)cn2)c1	775476499	BOLNCBFWYJEVPC-UHFFFAOYSA-N	318.312	1.432	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc(F)cc1C(F)(F)F	872401904	MUPLSURDFTZOLX-UHFFFAOYSA-N	322.258	1.958	50	20	DDGD	
Cn1nc(C(=O)NNc2cnc3ccccc3n2)cc1C1CC1	774771155	VIEAEWSNZNWSHV-UHFFFAOYSA-N	308.345	1.998	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1n[nH]c2c1CCCC2)C1CCOCC1	1117782554	KMVNBURVKVSLIA-AWEZNQCLSA-N	320.393	1.446	50	20	DDGD	
O=C(NCCn1ccc(C(F)(F)F)n1)NNc1ncccn1	876353356	FXNZTBGFPUEQHH-UHFFFAOYSA-N	315.259	1.018	50	20	DDGD	
COCC1(C)CCN([C@@H](C)C(=O)NNC(=O)CC(C)C)CC1	773720746	RPYUKDPBGZOBHT-ZDUSSCGKSA-N	313.442	1.317	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc([S@@](C)=O)cc2)n1	1116651702	RNNYZWWRWYZOLB-JOCHJYFZSA-N	321.362	1.371	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874952767	GODQQWNXIWISME-OAHLLOKOSA-N	324.450	1.885	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)Cc1cnn(C)c1	773618786	CIDDGWJSAHZUNF-UHFFFAOYSA-N	306.297	1.032	50	20	DDGD	
CC1=CCC[C@H](C)[C@H]1C=NNC(=O)Cc1cc(O)nc(O)n1	773202871	DOMNKQOHCYJYMQ-JQWIXIFHSA-N	304.350	1.525	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@H]1CC[C@@H](C)C1	776452065	GCSQBBPRPSPRDY-NEPJUHHUSA-N	305.378	1.691	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCC[C@H](C#N)C1	1121947132	CSEPUBZXUOKJCM-LLVKDONJSA-N	302.334	1.285	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cccc(C(F)(F)F)n1	883070871	GVDHCFPVJZENPH-UHFFFAOYSA-N	317.267	1.288	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)NC[C@@H]2C=CCC2)c1	883778531	BQUHKJYCAPCNPJ-LLVKDONJSA-N	319.361	1.614	50	20	DDGD	
N#Cc1cccc(NNC(=O)Nc2ccc3c(c2)C(=O)NCC3)c1	770032889	UTEYMTLKXUMVPE-UHFFFAOYSA-N	321.340	1.993	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1cc2cc(C)c(C)cc2o1	779823058	JMZOVNZJHZAIKI-UHFFFAOYSA-N	303.318	1.856	50	20	DDGD	
CC(C)NC(=O)/C(C#N)=C\c1ccc(N2CCN(C)CC2)cc1	771520272	LZBRSHKXBKUKOA-VBKFSLOCSA-N	312.417	1.870	50	20	DDGD	
NC(=O)[C@H]1CCC[C@@H](C(=O)NNc2cccc([N+](=O)[O-])c2)C1	787134465	ZJMDWVKQNREBKC-VHSXEESVSA-N	306.322	1.330	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC2CCC(C)(O)CC2)c1	780840629	JGUMUMUFTGKOGR-UHFFFAOYSA-N	321.377	1.793	50	20	DDGD	
CC[C@H](Oc1ccccc1C)C(=O)NNC(=O)C1CCOCC1	883065669	ROEHSQDEMQKLLS-AWEZNQCLSA-N	320.389	1.726	50	20	DDGD	
NC1(CNC(=O)NNC(=O)c2ccc(Cl)cc2Cl)CC1	1120666164	ACMTZJJDYBRGDT-UHFFFAOYSA-N	317.176	1.429	50	20	DDGD	
C[C@H](C(=O)NNC(=O)COc1ccc(F)cc1)c1ccccn1	785691688	VWYCADYLPXDXNJ-NSHDSACASA-N	317.320	1.551	50	20	DDGD	
COCCONC(=O)NNc1ccccc1OC(F)(F)F	789351299	FEOHDLZXTSVCJU-UHFFFAOYSA-N	309.244	1.789	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2c[nH]nc2C2CC2)c1O	789901693	UQKKLFWBOULQTO-UHFFFAOYSA-N	316.317	1.076	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@@H]1CN[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C	894370502	XJYAOWPAQXNBKZ-CUFCCSJMSA-N	322.840	1.687	50	20	DDGD	
COc1ccc(C=NNC(=O)CNc2ccccc2F)cn1	780194000	CDRVKKLFNFJSRY-UHFFFAOYSA-N	302.309	1.792	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)o1	793625226	OBUKPYPTVZKTLK-RJCJOANDSA-N	312.369	1.743	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)/C(F)=C(/C)C1CC1	899992317	AVGKSATVELHGDK-PKNBQFBNSA-N	303.403	1.514	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCC(C2CC2)C2CC2)n1	793067070	RIYBIDABOMMEES-UHFFFAOYSA-N	302.378	1.770	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)[C@@H](O)Cc1ccccc1	793816990	FSMTZYXMJDLPCG-HNNXBMFYSA-N	308.341	1.677	50	20	DDGD	
COc1ccccc1-n1nccc1C=NNC(=O)c1c[nH]nc1C	797403030	XAXLQBIMWOFSSD-UHFFFAOYSA-N	324.344	1.676	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1c(O)cccc1O	791063338	LTSJIIVUHNLFOQ-UHFFFAOYSA-N	307.237	1.902	50	20	DDGD	
CC[C@H](NNC(=O)c1cnn(-c2ccccc2)c1)C(=O)OC	790445857	VVDWGAUJNLXSBO-ZDUSSCGKSA-N	302.334	1.058	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCc3cc(Cl)ccc32)CC1	790182597	YBUNXFPVYXCLCN-UHFFFAOYSA-N	306.797	1.947	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C(C)c1cnoc1C	799468549	JGTOMCPVWSZELY-UHFFFAOYSA-N	303.318	1.911	50	20	DDGD	
CC(C)Oc1cccc(C=NNC(=O)N2CCN(C)CC2)c1	790179231	UBKKPZFFJOUMCW-UHFFFAOYSA-N	304.394	1.765	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)N[C@@H]1CCC[C@H](C2CC2)C1	1325830554	XKJAYURKGSRFBI-UONOGXRCSA-N	308.426	1.285	50	20	DDGD	
C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NNc1ccn(C)n1	1328773450	VRBCSRMHJRYTKW-NSHDSACASA-N	300.362	1.819	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ncc(Cc2ccccc2)o1	1327813860	JNIFUZVWVJFVLD-UHFFFAOYSA-N	314.345	1.619	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)N[C@H]1CCC[C@@H](F)C1	1326297436	AQJYUIDHWGXNFM-OLZOCXBDSA-N	311.332	1.979	50	20	DDGD	
CN(C)c1ccc(CCNC(=O)NNc2ccncn2)cc1	1324580917	QLKZNOHEBADDJR-UHFFFAOYSA-N	300.366	1.411	50	20	DDGD	
Cc1nc(O)c(C#N)c(C)c1CCC(=O)NNc1ccn(C)n1	1322272419	BAHBVSBWVKEEQH-UHFFFAOYSA-N	314.349	1.085	50	20	DDGD	
CC(C)CC1(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CCC1	1326003765	AVXUCACMNFJWPQ-QWHCGFSZSA-N	311.426	1.958	50	20	DDGD	
Cc1ncccc1CC(=O)NNC(=O)NCCc1cccs1	1321832410	CXUBTKCKWQODFA-UHFFFAOYSA-N	318.402	1.567	50	20	DDGD	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NNc1ccn(C)n1	1326696788	CVYDMWAEBKZCOS-VIFPVBQESA-N	321.362	1.952	50	20	DDGD	
O=C1CCCN1[C@@H]1CCN(S(=O)(=O)CCCCCl)C1	790908874	LGRJSRJIISEWNC-LLVKDONJSA-N	308.831	1.032	50	20	DDGD	
Cn1cc(-c2ccc(C=NNC(=O)c3cnccn3)cc2)cn1	1339659340	MBJDWASQJLWXPW-UHFFFAOYSA-N	306.329	1.641	50	20	DDGD	
O=C(Cn1ccccc1=O)NNc1cncc(Br)c1	1335935350	RUPYAFUOMFUTSU-UHFFFAOYSA-N	323.150	1.149	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2oc(S)nc2c1	1334453147	FMCVTVRRYGXXLU-IONNQARKSA-N	321.358	1.303	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1oc(C2CC2)nc1C(F)F	1348424142	KNUDHOIGHABVTE-UHFFFAOYSA-N	316.333	1.785	50	20	DDGD	
CN1C(=O)C[C@H](C(=O)NNc2ncc(F)cn2)c2ccccc21	1341308601	NKXIFTSGTQGVGV-NSHDSACASA-N	315.308	1.209	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@@H](C(=O)O)C2CCCC2)c1Cl	1347170232	DANVKIJEXOWGBX-QMMMGPOBSA-N	313.745	1.046	50	20	DDGD	
CC(=O)NC[C@H](CC(=O)NNC(=S)NC(C)C)CC(C)C	1347770159	UTJGHDDKRWOVMV-LBPRGKRZSA-N	316.471	1.079	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@]12CC[C@H](CC1=O)C2(C)C)C1CC1	1347304515	JFEXGGAPNKWQQF-ZXLZKYRFSA-N	323.462	1.676	50	20	DDGD	
CN(C)C[C@]1(O)CCCN(C(=O)C2CCC(Cl)CC2)C1	1352090382	LJGPHQGFRYFZMX-SSDMNJCBSA-N	302.846	1.699	50	20	DDGD	
CCn1ncc(Br)c1C(=O)NN(C)C(=O)OC	1521566580	DBAFXJGWAIRFNI-UHFFFAOYSA-N	305.132	1.009	50	20	DDGD	
NC(=O)Nc1ccc(C(=O)NNc2ccccc2C(=O)O)cc1	1601156080	MUZCZQQUVRWUGQ-UHFFFAOYSA-N	314.301	1.632	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cnn(-c3ccncc3)c2)c1	1602450252	QPNYBNRYSRKSGH-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
O=C(CCc1ccccn1)NNc1cccc(F)c1C(=O)O	1608319520	VWHCVDSSYLLBHS-UHFFFAOYSA-N	303.293	1.995	50	20	DDGD	
O=C(NNc1ccnc(C(F)(F)F)c1)c1c[nH]c(C(=O)O)c1	1601561445	IAEDLEWGUYBINF-UHFFFAOYSA-N	314.223	1.884	50	20	DDGD	
CC(C)NCCCNC(=O)NNc1ccc(C(=O)O)cc1F	1603905298	RFVKDHWGWVPZMB-UHFFFAOYSA-N	312.345	1.538	50	20	DDGD	
NC1(CNC(=O)NNc2ccc(C(=O)O)cc2F)CCCCC1	1601176130	IQGFEVHMWFMARY-UHFFFAOYSA-N	324.356	1.812	50	20	DDGD	
Cn1cc(Cl)c(NC(=O)NNc2ccc(CC(=O)O)cc2)n1	1608113923	JMSXXZIBVRSCQI-UHFFFAOYSA-N	323.740	1.849	50	20	DDGD	
C[C@@H]1[C@@H](NC(=O)NNc2ccc(F)c(C(=O)O)c2)CCN1C	1604647421	XPXFFVOHOBLWQL-PELKAZGASA-N	310.329	1.243	50	20	DDGD	
CCCCNC(=O)NN=C(C)c1ccc(OCC(=O)O)cc1	1605283477	MITUSFQHXLKLCW-UHFFFAOYSA-N	307.350	1.973	50	20	DDGD	
Cc1nc(CC(=O)NN=C2CCN(CCC(=O)O)CC2)cs1	1600695680	CXDPMWZGRGKWDS-UHFFFAOYSA-N	324.406	1.037	50	20	DDGD	
Cc1cccnc1/C=C/C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1609436872	TUDBYDANOCYRBC-CMDGGOBGSA-N	321.344	1.727	50	20	DDGD	
Cc1cc(C)c(C(=O)O)cc1NC(=O)NNC(=O)C1CCC1	1600156996	HSIBEQRTVXZQQF-UHFFFAOYSA-N	305.334	1.954	50	20	DDGD	
O=C(NCCCOC(F)F)NNc1cccc(C(=O)O)c1F	1601500340	ZZLMSVGLRNEGGW-UHFFFAOYSA-N	321.255	1.779	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@H]1Cc2ccccc2O1	1610805790	DIMQLNGBQLWZOI-CYBMUJFWSA-N	316.288	1.971	50	20	DDGD	
O=C(O)C(=O)NN=C1CCc2c(F)ccc(Br)c21	1610713980	BOLDWAXXQVQZQS-UHFFFAOYSA-N	315.098	1.439	50	20	DDGD	
CCc1ccc(C(C)=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)cc1	1549315353	MVFNTBSSQHUYNR-DLBZAZTESA-N	315.417	1.952	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)ccc1C	1549321911	WEFNCJBHJMLKKK-GOEBONIOSA-N	317.389	1.317	50	20	DDGD	
CCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Cl)C2	1803199983	RFBNNBGONQEDKS-NOHGZBONSA-N	320.792	1.586	50	20	DDGD	
CCOCC(C)=NNC(=O)[C@H]1CCCO[C@H]1c1ccnn1C	1549319144	IPKHKMXOQWJSCP-GXTWGEPZSA-N	308.382	1.416	50	20	DDGD	
C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(C)N)cc1	1573646985	ZANGEVDLZHLNGF-NSHDSACASA-N	311.407	1.195	50	20	DDGD	
O=C(NNc1ccccc1Cc1ccccc1)[C@H]1CNCCO1	1580739371	FCAQTCUTGSFEPN-QGZVFWFLSA-N	311.385	1.709	50	20	DDGD	
Cc1cccc(NNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c1Cl	1592235273	IIDRELVPRATWNC-UHFFFAOYSA-N	317.740	1.914	50	20	DDGD	
CCn1nc(C2CC2)cc1C(=O)NNc1ccc(C(=O)O)cn1	1597945941	GEIBKCAVYRYLOY-UHFFFAOYSA-N	315.333	1.631	50	20	DDGD	
N#CSCCCNC(=O)c1ncc(-c2nn[nH]n2)cc1Cl	1592681692	YCAVKQAKQSYYTP-UHFFFAOYSA-N	323.769	1.249	50	20	DDGD	
O=C(NN=CCCCCCO)c1ccc(-c2nn[nH]n2)cc1	1593155630	VVKWUMPHXUPFMC-UHFFFAOYSA-N	302.338	1.135	50	20	DDGD	
C[C@@H]1CCCN1CCNC(=O)NNc1cccc(C(=O)O)c1	1594387499	LQIOBCRIZVXBEB-LLVKDONJSA-N	306.366	1.495	50	20	DDGD	
Nc1nc(Cl)ccc1C=NNC(=O)c1cccc(C(=O)O)c1	1776095822	VULRXZWRJZRASG-UHFFFAOYSA-N	318.720	1.779	50	20	DDGD	
O=C(NN=Cc1cccc(C(=O)O)c1Cl)c1ccnnc1	1776081369	LGXVVPGJVQFSDO-UHFFFAOYSA-N	304.693	1.592	50	20	DDGD	
O=C(NN=Cc1c[nH]c2c(C(=O)O)cccc12)c1cnccn1	1776029265	APDGAYCMFIAZSN-UHFFFAOYSA-N	309.285	1.420	50	20	DDGD	
O=C(CC1CC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl	1793110347	PIVCHWZMSNSGPC-YVECIDJPSA-N	314.813	1.024	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)N[C@@H]1C=CCCC1	158793594	ZPWMHBPFUHCKGV-GFCCVEGCSA-N	307.325	1.644	50	20	DDGD	
O=C(CCn1ccccc1=O)NNc1cnc2ccccc2n1	163635651	JCLRXBXGFLBDMB-UHFFFAOYSA-N	309.329	1.325	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCCOCc2ccccc2)[nH]n1	153141522	LHTSOYQWXZQDSJ-UHFFFAOYSA-N	316.361	1.476	50	20	DDGD	
O=C(NCCNS(=O)(=O)CCCCCl)c1cccs1	153487307	UPZLZIMHQIHDQK-UHFFFAOYSA-N	324.855	1.416	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc1	155209804	YEAGDAMZYBSYFL-HNNXBMFYSA-N	307.309	1.783	50	20	DDGD	
CCn1nc(C)c(CN(C)NC(=O)OCc2ccccc2)n1	859386500	ROLDFTIDOCTZGY-UHFFFAOYSA-N	303.366	1.880	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1ccncc1	577871	WVOUZNJYKMHVCP-SNVBAGLBSA-N	319.748	1.964	50	20	DDGD	
O=C(CCSc1ccccc1F)NNC(=O)Cc1cc[nH]n1	106417273	UNAXQVSVHHDBGS-UHFFFAOYSA-N	322.365	1.421	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCOC1)c1cccc(OC(F)F)c1	103041026	MLLQMGUSDIUTKV-SNVBAGLBSA-N	314.288	1.476	50	20	DDGD	
CC(=O)NNC(=O)CSc1nccn1-c1ccccc1C	25742136	AIEUKVFEEDUNQH-UHFFFAOYSA-N	304.375	1.440	50	20	DDGD	
N#Cc1ccsc1C(=O)NNC(=O)CCOc1ccccc1	52050643	VCLRIWOFPZCEBG-UHFFFAOYSA-N	315.354	1.850	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)c1cccnc1C	108446622	KJWBJXVMWPILIZ-UHFFFAOYSA-N	313.357	1.792	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CCCOc1ccc(F)cc1F	63265669	NEWZHJXEDOMEGM-UHFFFAOYSA-N	315.320	1.863	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NCc2ccco2)cccc1[N+](=O)[O-]	65177788	YHMDVBVRPWIPCF-UHFFFAOYSA-N	318.289	1.640	50	20	DDGD	
Cc1noc(C)c1C(=O)NNC(=O)Cn1ccc2ccccc21	67464328	HMJQHWWUTPNXRA-UHFFFAOYSA-N	312.329	1.707	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NC(C1CC1)C1CC1	56596034	MEANGCYCUUBBFY-UHFFFAOYSA-N	317.389	1.757	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C2CCOCC2)c1	25167167	YXRKQLFPTZYTSL-UHFFFAOYSA-N	306.362	1.256	50	20	DDGD	
O=C(NCc1ccncc1)NNC(=O)Nc1cc(F)cc(F)c1	171187717	QXUNXSRNSXARPL-UHFFFAOYSA-N	321.287	1.896	50	20	DDGD	
O=C(CC[C@H]1CCCCO1)NNC(=O)Cc1ccc(F)cc1	110604526	QSYFDHUWTROPBX-CQSZACIVSA-N	308.353	1.865	50	20	DDGD	
CCc1nc([C@H](C)NC(=O)NNC(=O)c2ccc[nH]2)cs1	111894646	LDMNVHNJTZRYQA-QMMMGPOBSA-N	307.379	1.739	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNC(=O)CC2CCCC2)c1	175842100	WZRPBKGBYMXDRZ-UHFFFAOYSA-N	303.362	1.388	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](c1ccccc1)C1CCC1	66703715	BJORCFQXBKHDKX-OAHLLOKOSA-N	305.378	1.895	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)CC2CCCC2)C[C@@H](C)O1	68194883	FRRCCFSIJLFEDO-BETUJISGSA-N	311.426	1.213	50	20	DDGD	
COc1ccccc1[C@@H]1C[C@H]1C(=O)NNc1ncc(F)cn1	123385311	HFTAJWWRMWYDMY-NWDGAFQWSA-N	302.309	1.871	50	20	DDGD	
Cc1ccccc1NC(=O)C(=O)NNc1cncc(Cl)n1	128258166	PWEZPHYSGLHDPX-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCCC1CC1	74818993	GGCKGLYPEZUPEJ-SNVBAGLBSA-N	309.341	1.724	50	20	DDGD	
C=C[C@H](C)NC(=O)NNC(=O)c1cccc(Br)c1	128353575	BWUHFZGYYVDASE-QMMMGPOBSA-N	312.167	1.968	50	20	DDGD	
CC[C@@H]1C[C@H](C(=O)NNC(=O)COc2cccc(C)c2)CCO1	183517164	CZNSKRLBAKTYIH-ZIAGYGMSSA-N	320.389	1.726	50	20	DDGD	
CCCc1cnc(NC(=O)NNC(=O)c2ccncc2)s1	184056104	JJZSOAOIJUUJLB-UHFFFAOYSA-N	305.363	1.957	50	20	DDGD	
COc1cc(CCNC(=O)NNC(=O)c2ccc[nH]2)ccc1C	120650291	LBELOZAWIQJXFD-UHFFFAOYSA-N	316.361	1.518	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)NCC)cc1OC	43466290	BQKLTYMHNVJYBK-UHFFFAOYSA-N	309.366	1.838	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(C)c(C)cc1Cl	181851417	ASXMACIBQGDFEN-UHFFFAOYSA-N	313.785	1.937	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(C)cc2O)cc1F	130068641	MTSOFABHAZXSKF-UHFFFAOYSA-N	318.304	1.923	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc3c2OCCO3)o1	84291598	BIHDQLGKYKFHQA-UHFFFAOYSA-N	302.286	1.434	50	20	DDGD	
O=C(NNc1cnccn1)[C@@H]1CC(c2cc(F)ccc2F)=NO1	133458833	HENJCICUTJODOF-LBPRGKRZSA-N	319.271	1.391	50	20	DDGD	
CC(=O)N(C)CC(=O)NNC(=O)c1ccc(Cl)cc1Cl	193326686	WBQFKPPJQCGFHE-UHFFFAOYSA-N	318.160	1.233	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNc2nccnc2OC)cc1	131896199	DKWZVRVJMSCKKZ-UHFFFAOYSA-N	316.361	1.915	50	20	DDGD	
COCCc1ccccc1NC(=O)C(=O)NNc1ccccc1	190916764	FUJAMVVSJLANDL-UHFFFAOYSA-N	313.357	1.957	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Nc1cccc(F)n1	134279612	UBDLUYZNDBNTBR-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
C[C@H](NC(=O)CC1CCCCC1)C(=O)NNc1ncccn1	134207637	FYIVGDNRHVFRNX-NSHDSACASA-N	305.382	1.395	50	20	DDGD	
O=C(NNc1nc2ccccc2c(=O)[nH]1)c1cc(F)cc(F)c1	137129665	POZMFDIVGXXCAC-UHFFFAOYSA-N	316.267	1.958	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(C(N)=S)cc2)o1	84285191	YOJLKSJLZYHCDX-UHFFFAOYSA-N	303.343	1.297	50	20	DDGD	
COCCCCNC(=O)NNC(=O)c1ccc2ccccc2n1	46735667	UINISTNGVBKVSE-UHFFFAOYSA-N	316.361	1.605	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)C[C@H](C)OC	195430600	ILISUHNLXQBQRY-QMMMGPOBSA-N	300.742	1.535	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(-c2cccnc2)on1	142548451	YWPCJMAUOOVCLM-UHFFFAOYSA-N	303.322	1.481	50	20	DDGD	
Cc1cc(C)nc(-n2nccc2NC(=O)NNc2ccncc2)n1	190405485	BYAIKOSVOIETET-UHFFFAOYSA-N	324.348	1.823	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccccc2O)c(C(C)(C)C)n1	92235461	CSLIOIPTYSXKRB-UHFFFAOYSA-N	316.361	1.498	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)/C=C\c2ccc(Cl)s2)cn1	255498166	MOTGAXVVCDJJCP-HYXAFXHYSA-N	310.766	1.609	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)C3CCCCCCC3)nc21	269335395	YZQFERWIIYGVLB-UHFFFAOYSA-N	318.381	1.873	50	20	DDGD	
C[C@@H]1C(=O)Nc2cc(C(=O)NNC(=O)C3CCC3)ccc2N1C	267402928	OQHWUBICQZTOKL-SECBINFHSA-N	316.361	1.025	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNc2cc(Cl)nc(C)n2)C1	269740015	YMMKNGAHJALSES-SECBINFHSA-N	311.773	1.140	50	20	DDGD	
COc1ccnc(NNC(=O)/C=C/c2nnc(C(C)C)o2)n1	269277547	JOZNGZOBMCBRCK-SNAWJCMRSA-N	304.310	1.148	50	20	DDGD	
O=C(NNC(=O)c1cc(C(F)(F)F)ccc1F)NC1CC1	268448325	FHAOMRBAJWNFBU-UHFFFAOYSA-N	305.231	1.951	50	20	DDGD	
C=CC[C@@H](C)NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	265423697	KNXMWWLXQNXBMA-MFKMUULPSA-N	305.334	1.121	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CCOC(C)(C)C1	269949986	RFLYYZFHXYAGTL-GFCCVEGCSA-N	305.378	1.897	50	20	DDGD	
C[C@H](CO[C@H]1CCOC1)NC(=O)NNc1ccc(Cl)nc1	267885138	PRWYMCSIGSOPLN-KOLCDFICSA-N	314.773	1.555	50	20	DDGD	
Cc1cn(-c2ccccc2)nc1C(=O)NNC(=O)CC(C)C	274573616	HWINEPGUWDRFBS-UHFFFAOYSA-N	300.362	1.988	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNc2cccc(S(C)(=O)=O)c2)CCO1	272033912	POKZPGVKPFCCDB-MNOVXSKESA-N	312.391	1.348	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H](C)C2=CCN(C)CC2)n1	272716358	WJSXVOVSJZIPMA-NSHDSACASA-N	305.382	1.367	50	20	DDGD	
C=C(C)[C@@H](CC(=O)NNC(=O)COc1ccc(C)cc1)OCC	270130140	OUDCQVGNLIMBAW-OAHLLOKOSA-N	320.389	1.893	50	20	DDGD	
COc1ccc(F)cc1C(=O)NNC(=S)NCCSC	271312397	SRTXQPGWMUOLCQ-UHFFFAOYSA-N	317.411	1.306	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccnc1Br	272719772	ZTGRDERMWPHBGE-UHFFFAOYSA-N	301.144	1.150	50	20	DDGD	
O=C(NC[C@@H]1CCCCN1C1CC1)NNc1cncc(Cl)n1	277580804	LXYAFKNBUXYJHN-NSHDSACASA-N	324.816	1.773	50	20	DDGD	
CC(=O)NNC(=O)N[C@H](CCc1ccccc1)C(F)(F)F	274196767	PPRGPIAPNUXQLZ-LLVKDONJSA-N	303.284	1.900	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(C)c(C(=O)N(C)C(C)C)c1	278400767	GEJKIFUDHOABJV-UHFFFAOYSA-N	322.365	1.868	50	20	DDGD	
CC(C)[C@@H](O)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	285207674	WNIDUZWPFLEICK-CYBMUJFWSA-N	310.419	1.795	50	20	DDGD	
CC(C)(C(=O)NNC(=O)Cc1ccccc1F)C1CCOCC1	280152787	BELJGTMSCADTFT-UHFFFAOYSA-N	322.380	1.968	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCCC(=O)OC(C)(C)C)n1	281043281	ZPLJRLBVHTWZKA-UHFFFAOYSA-N	322.365	1.066	50	20	DDGD	
C=CC[C@@H](CC)NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	281327168	LBCMKGJFDFZBBS-RISCZKNCSA-N	319.361	1.512	50	20	DDGD	
COC(=O)N(C)NC(=O)CCc1nc(-c2cccs2)no1	286375484	NWBGYKCUANDDFF-UHFFFAOYSA-N	310.335	1.460	50	20	DDGD	
Cc1cccc(=O)n1C[C@](C)(O)C(=O)NNc1ccc(F)cc1	280596340	FJIXCLFNFLFXLT-INIZCTEOSA-N	319.336	1.190	50	20	DDGD	
CC1=CCCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	280939695	VWROOOOTCTZCDR-UHFFFAOYSA-N	318.333	1.008	50	20	DDGD	
C[C@H]1C[C@@H](O)CCN1C(=O)NNC(=O)CCCc1ccccc1	292622136	IWBBEBLSJABWLZ-ZFWWWQNUSA-N	319.405	1.595	50	20	DDGD	
Cc1ccc([C@H](NC(=O)NNC(=O)[C@@H]2CCCO2)C2CC2)cc1	291677874	MVULABREHSHRPX-GJZGRUSLSA-N	317.389	1.956	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NNC(=O)COc2ccccc2O)C[C@H]1C	294533947	HNNINHPZDUROQT-UPJWGTAASA-N	320.389	1.991	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)[C@@H](C)OCCOC)[C@H]1SC	807975617	WACRGLZNMGQWLJ-YUSALJHKSA-N	304.412	1.051	50	20	DDGD	
O=C(CCn1cccn1)NNC(=O)Nc1cc(F)cc(F)c1	802004227	BPKGCZYJUPEBFA-UHFFFAOYSA-N	309.276	1.404	50	20	DDGD	
O=C(CNC(=O)Nc1cccc(Cl)c1)NNC(=O)C1CCC1	294438543	AULRXQBAJYRGAR-UHFFFAOYSA-N	324.768	1.409	50	20	DDGD	
COc1ccc(OC)c(NC(=O)NNC(=O)[C@@H]2CCCO2)c1	292846211	QUCPMUFXSIJOJO-LBPRGKRZSA-N	309.322	1.036	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)[C@@H]1OC[C@@H]2COCC[C@H]21	290426497	MTEPHIVLGPWGBJ-FIXISWKDSA-N	314.345	1.124	50	20	DDGD	
O=C1NCCc2cc(OS(=O)(=O)CBr)ccc21	809856297	QWLBIDSSQMWWGQ-UHFFFAOYSA-N	320.164	1.034	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)c2cncnc2)c1	802114370	BVLCMHGWKPKYNI-UHFFFAOYSA-N	321.724	1.605	50	20	DDGD	
N#CCCCCCC(=O)NNC(=O)c1ccc2c(c1)OCO2	805152785	LUHZWHCCJYMGMK-UHFFFAOYSA-N	303.318	1.650	50	20	DDGD	
C[C@H](C(=O)NNc1cnccn1)[C@@H]1OCCc2sccc21	293481305	LOLHOBZJSPIVJI-ZANVPECISA-N	304.375	1.931	50	20	DDGD	
COCc1ncsc1C(=O)NNc1cnnc2ccccc12	806856085	BDLYDMUYWJDXTR-UHFFFAOYSA-N	315.358	1.990	50	20	DDGD	
Cn1nnc2c(C(=O)NNc3ccccc3Cl)ccnc21	801176196	RARARTXQDBHGBE-UHFFFAOYSA-N	302.725	1.774	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)C2(C)COC(C)(C)OC2)c1	293990221	SJAJKCQEKAKQOF-UHFFFAOYSA-N	321.377	1.877	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@H]1CC2CCC1CC2	814319097	OLIAXLVMHDSACH-ILDUYXDCSA-N	301.481	1.671	50	20	DDGD	
O=C1CC(C(=O)NNC(=O)C2CCC2)(c2cccc(Cl)c2)C1	810380139	SRRFGSKELMXSHI-UHFFFAOYSA-N	320.776	1.888	50	20	DDGD	
CN1CCN(C(=O)NN=C2COc3c(Cl)cccc32)CC1	814913993	YJJKQFCNJOHTOX-UHFFFAOYSA-N	308.769	1.394	50	20	DDGD	
Cn1ncc(C=NNC(=O)c2cccc(OC(F)F)c2)c1N	814835519	UAEJBDNKMFIFCO-UHFFFAOYSA-N	309.276	1.368	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C(C)c2csnn2)c1	814738079	RZHHLGOAHAQJHI-UHFFFAOYSA-N	306.347	1.709	50	20	DDGD	
COC(=O)c1ccc(CNC(=O)NNC(=O)C2CCC2)s1	817804768	UTYWHWJVHOZGBS-UHFFFAOYSA-N	311.363	1.165	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1c[nH]c(C(F)(F)F)c1	814627434	ZYHOMEIVIFBHEU-UHFFFAOYSA-N	316.239	1.771	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccnc(N2CCC[C@@H](C)C2)c1	813426273	UPOKWPGOVTXPPM-GFCCVEGCSA-N	319.409	1.672	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=CC[C@@H]1CCCCC12OCCO2	814955608	OETVVDDWUYRUKB-LBPRGKRZSA-N	306.366	1.378	50	20	DDGD	
CC[C@H](C)c1ccccc1OCC(=O)NNc1cnnn1C	816772102	MZTKKWPMHKBYFJ-NSHDSACASA-N	303.366	1.851	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)NCCn1cnnn1	816285936	QEVRWMWNGDBFLI-SNVBAGLBSA-N	301.441	1.503	50	20	DDGD	
CCOC(=O)c1ccc(NC(=O)NNc2ncncc2F)cc1	814583450	JAFDGWMPDRQVHU-UHFFFAOYSA-N	319.296	1.941	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1sc(Cl)nc1Cl	814955764	WKPDKMWJOFLXHA-UHFFFAOYSA-N	304.162	1.866	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)CC1CC1)NC(=O)C1CCCCC1	819114515	KEYOTPKKXTWBTR-NSHDSACASA-N	309.410	1.409	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)[C@H](F)C(F)(F)F	810517525	QDUMITLHEHMGQU-ZETCQYMHSA-N	304.203	1.679	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C(C)C1CCN(C)CC1	814719478	QGQSGKKPEHMOQK-UHFFFAOYSA-N	319.405	1.908	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCC1CC(F)(F)C1	813770991	NUZMJGFXHSKOKK-UHFFFAOYSA-N	311.332	1.995	50	20	DDGD	
N#CSCCCNC(=O)CSc1nnc2ccccn12	819698678	LITNCBYZSVVJED-UHFFFAOYSA-N	307.404	1.542	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C1CC(C)(C)Cc2nc(N)sc21	814852389	VYYKVONFNJYVDL-UHFFFAOYSA-N	318.406	1.863	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cnc3ccccc3n2)[nH]1	816114826	UOFTZLODMVFMAW-UHFFFAOYSA-N	311.301	1.501	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCc1snnc1C	813848480	DGBPTJSFFLHDBC-UHFFFAOYSA-N	305.363	1.299	50	20	DDGD	
COC(=O)CCCONC(=O)[C@H](Br)C(C)(C)C	819932553	OJOQULLNJOYPAH-VIFPVBQESA-N	310.188	1.797	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@]1(C)CC1(F)F	817424781	CYLDPNWPYOGHSF-SDBXPKJASA-N	316.279	1.786	50	20	DDGD	
CO[C@@](C)(CNC(=O)NNC(=O)c1ccccc1O)C1CC1	813203857	YFHJZKLZVNGVRQ-HNNXBMFYSA-N	307.350	1.151	50	20	DDGD	
C#Cc1ccc(C(=O)NNc2nc(-c3ccncc3)no2)cn1	728968883	WXGAUCFEAOJUTJ-UHFFFAOYSA-N	306.285	1.265	50	20	DDGD	
CC(=NNC(=O)C1CCN(c2ncccn2)CC1)c1ccccn1	728783954	OZDVBZAKMVITFZ-UHFFFAOYSA-N	324.388	1.628	50	20	DDGD	
O=C(NN=C1CCCOCC1)c1cccc(-c2nn[nH]n2)c1	826444895	YQECFYFPGQRFHJ-UHFFFAOYSA-N	300.322	1.153	50	20	DDGD	
N#CSCCCNS(=O)(=O)Cc1c(F)cccc1F	826747036	OKHHSBFHDQPMCR-UHFFFAOYSA-N	306.359	1.989	50	20	DDGD	
Cc1cc([C@@H]2CCCN2C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)on1	827316050	YLHKOXFPWOEDRK-WOPDTQHZSA-N	322.365	1.286	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(CC(F)(F)F)[C@H](C)C1	490783300	PJOBEAKMPFCFNP-MXBGMFSPSA-N	305.300	1.525	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@H]1CC12CCC2	826445425	UEIHNRMGXKGXJF-MRVPVSSYSA-N	319.756	1.548	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN(CC)CCO	823856484	SXPSHVPVCVPSDZ-RYUDHWBXSA-N	317.430	1.271	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC1CCC(O)(c2cccnc2)CC1	490907645	IDGIVTMVTDRCBQ-SEYXRHQNSA-N	315.373	1.772	50	20	DDGD	
CN(C[C@@](C)(O)c1ccccc1)C(=O)/C(C#N)=C\c1cnn(C)c1	491053539	YSJNPVYJNOATCU-IDGGIGOKSA-N	324.384	1.693	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CCCc2cccnc2)n1	829481567	BAFRSWDHQXKQLH-UHFFFAOYSA-N	301.350	1.655	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C/c1ccc(N2CCOCC2)c(F)c1	727263898	IYYNFQSMRGWJFA-NTUHNPAUSA-N	323.331	1.829	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)c1ccc(-c2nn[nH]n2)s1	826446319	HNYSZOWVEIWIAO-UHFFFAOYSA-N	321.753	1.734	50	20	DDGD	
O=C(O)CCNC(=O)NNc1cc(C(F)(F)F)ccc1F	821524903	JKGFOFCPTLODPZ-UHFFFAOYSA-N	309.219	1.945	50	20	DDGD	
Cc1cc(C(=O)NN(C)[C@H](C)CO)nn1-c1ccc(Cl)cc1	823939386	JYJSDHAIAVLSLP-LLVKDONJSA-N	322.796	1.792	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)COc1ccccc1C#N)C1CC1	822571790	GHOGNDOBMATKSC-ZDUSSCGKSA-N	316.361	1.456	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cccc(OCc2cscn2)c1	823983228	NTCCKOWNMAEEFI-LLVKDONJSA-N	321.402	1.680	50	20	DDGD	
CCN(CCO)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCC1	823893324	FLOFAWJXVQNTTF-LBPRGKRZSA-N	315.414	1.025	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1cccc(C#N)c1	826113535	CPMGPBGUILBHQP-WDMOLILDSA-N	316.361	1.375	50	20	DDGD	
CC[C@@H](C)Oc1cc(C)ccc1CNCc1ccc(B(O)O)o1	585031067	PUDKJLLYDMXIEF-CYBMUJFWSA-N	317.194	1.735	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNC(=O)COc1ccc(C)cc1	820631222	VXENQCSKMWYDPC-CYBMUJFWSA-N	303.362	1.506	50	20	DDGD	
CN(C/C=C/C(=O)NNC(=O)C1CCCC1)CC(F)(F)F	493658301	LKQOFWYXNZMLFY-QPJJXVBHSA-N	307.316	1.374	50	20	DDGD	
O=C(NNc1ccc(F)cc1)c1cnn([C@H]2CCCNC2)c1	826615111	ZCNLSERNMBNKFL-AWEZNQCLSA-N	303.341	1.704	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	491176794	RTZHSXOPZLJHSL-OPPWZJLSSA-N	310.357	1.572	50	20	DDGD	
CC(C)C(=O)NNC(=O)CSCCC(=O)OC(C)(C)C	829567586	XOFUXLSCUNHKIX-UHFFFAOYSA-N	304.412	1.255	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1cc(C(=O)O)c(Cl)s1	901259373	RHFIZVYHQROOEK-HTRCEHHLSA-N	316.766	1.975	50	20	DDGD	
Cn1nc(-c2ccccc2)cc1C(=O)NNC(=O)C(C)(C)C	825130183	PBLXHWBWRHMGJW-UHFFFAOYSA-N	300.362	1.894	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN(C)C(=O)OC	495629499	SHLDTEVEOAWWOX-UWVGGRQHSA-N	317.386	1.655	50	20	DDGD	
O=C(NN=C1C[C@@]2(CCOC2)Oc2ccccc21)c1cccnn1	901276402	OVDDSNHISOQOPM-QGZVFWFLSA-N	324.340	1.552	50	20	DDGD	
OB(O)c1cccc(CN[C@H](c2ccccc2)[C@@H]2CCCO2)c1	585019096	BINCVLRFZYMTDX-ZWKOTPCHSA-N	311.190	1.376	50	20	DDGD	
CCCN(CC(=O)NNC(=O)C1CC1)Cc1ccc(OC)cc1	733194744	LLBJLQUVLJZNSX-UHFFFAOYSA-N	319.405	1.465	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1CNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	838681692	LKYXTXHNBKIJIT-AAEUAGOBSA-N	320.349	1.831	50	20	DDGD	
C[C@@H](NCC(=O)NNC(=O)C1CC1)c1cccc(C2CC2)c1	830194880	BYWMAYJRSZFJAK-LLVKDONJSA-N	301.390	1.772	50	20	DDGD	
O=C1C[C@H]2C[C@@H]1[C@H](C(=O)NNc1ncnc3ccsc13)C2	837478617	LJGMRGHQRJLLRF-DJLDLDEBSA-N	302.359	1.750	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)COc2ccccc2O)c1	730782820	VYFLWMOLPWKXAC-UHFFFAOYSA-N	311.297	1.104	50	20	DDGD	
CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NNC(=O)C1CCC1	736076694	SCFIBNASOKPYRX-YPMHNXCESA-N	324.425	1.154	50	20	DDGD	
O=C(Nc1cnc2c(c1)CCCC2)c1cc(B(O)O)ccc1F	584973800	QHSQOMKLMYPRRR-UHFFFAOYSA-N	314.125	1.032	50	20	DDGD	
O=S(=O)(CCl)NC[C@H](O)c1ccc(Cl)c(F)c1	830981064	OBZASASDKZKYKR-VIFPVBQESA-N	302.154	1.628	50	20	DDGD	
Cc1ccc(F)c2c1NC(=O)C2=NNC(=O)[C@@H]1CCCCO1	834988358	HZRHCXMZJCMYKY-JTQLQIEISA-N	305.309	1.476	50	20	DDGD	
CC(=NNC(=O)c1nnc(O)c2ccccc12)c1cncs1	734747259	UTHKPZZMFDUJIX-UHFFFAOYSA-N	313.342	1.946	50	20	DDGD	
CC[C@H](C)n1ncc(NC(=O)NNC(=O)[C@H]2CCCCO2)c1C	836557308	PDQVGACPKMFXCJ-GXFFZTMASA-N	323.397	1.884	50	20	DDGD	
CC(C)(C)CNC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	733344041	SDFDDZJZFUNYDB-UHFFFAOYSA-N	315.377	1.862	50	20	DDGD	
C[C@@H](C[C@@H](O)c1cccs1)NCc1ccc(B(O)O)cc1F	585034755	NOXSLQSQSFLDEO-IINYFYTJSA-N	323.198	1.169	50	20	DDGD	
O=C(NN=c1c(=O)c2cccc3cccc1c32)[C@H]1CCCCO1	834989943	LRQVKTSHLHFYKU-CQSZACIVSA-N	308.337	1.730	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NN=C1CCn2ccnc21	834930899	YGGNJWVVAFHWLQ-SNVBAGLBSA-N	302.309	1.714	50	20	DDGD	
CC(=O)NC[C@H](CC(=O)NNc1cccc(F)n1)CC(C)C	831943556	DFDFTJMKDBXJJH-LBPRGKRZSA-N	310.373	1.852	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@H]2CCCCO2)c(O)c1OC	901250549	VQYSNLGXRHQLML-GFCCVEGCSA-N	308.334	1.429	50	20	DDGD	
COc1ccc(N(CC(=O)NNC(=O)C2CC2)CC(C)C)cc1	733194981	ZLHFYESZJUUGIX-UHFFFAOYSA-N	319.405	1.715	50	20	DDGD	
CO[C@H]1C[C@@H](NCC(=O)NNC(=O)c2ccc(C)cc2)C1(C)C	831334717	ZKHABECZCDEPHI-KGLIPLIRSA-N	319.405	1.159	50	20	DDGD	
Cc1ccnc(NNC(=O)c2ccc(OCC(=O)O)cc2)c1	832983979	KWEYDASUTHECSF-UHFFFAOYSA-N	301.302	1.610	50	20	DDGD	
COC(=O)c1ccc(C(C)=NNC(=O)[C@@H]2CCCCO2)cc1	834986244	OSSATPAGIKWMMF-AWEZNQCLSA-N	304.346	1.883	50	20	DDGD	
CCCCCC[C@H](CC)C(=O)NNC(=O)CN1CCCC1=O	913731172	XNIJFNFIULXONO-ZDUSSCGKSA-N	311.426	1.753	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1CCOC2(CCC2)C1	834934338	URUKSSWAAVWMJF-CYBMUJFWSA-N	309.410	1.160	50	20	DDGD	
CC(=NNC(=O)c1ccccc1F)c1cccc(-n2cnnn2)c1	916291177	ROOHIBGBONYGKP-UHFFFAOYSA-N	324.319	1.955	50	20	DDGD	
CO[C@@H]1COCC[C@@H]1CNC(=O)[C@@H](Br)C(C)(C)C	836814902	MSUHDVNCFJOBCY-GMTAPVOTSA-N	322.243	1.964	50	20	DDGD	
CN(C)CCOc1cccc(CNS(=O)(=O)CCl)c1	830049160	XYDVVUHTUBBHMP-UHFFFAOYSA-N	306.815	1.243	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cccn2C)cnc2ccccc12	748693169	FRKHFDRQKQZVKH-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=Cc2ccncc2)C[C@@H](C)O1	916371872	NBZIOSHJDPOXIV-MELADBBJSA-N	304.394	1.277	50	20	DDGD	
CN(CC(=O)NNc1cccc2c1CCCC2)C(=O)C1CC1	748569971	RMAUJZZDCHGREI-UHFFFAOYSA-N	301.390	1.877	50	20	DDGD	
Cc1cc(C=NNC(=O)c2ccc(N)cc2)ccc1-n1cncn1	743420425	FMMKGWIWSQWRHW-UHFFFAOYSA-N	320.356	1.922	50	20	DDGD	
Nc1ccc(C(=O)NN=Cc2ccc(OCC(=O)O)cc2)cc1	916263625	NZPFSTHPUMLSNH-UHFFFAOYSA-N	313.313	1.496	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(F)c1Cl	843659662	YLWJKQRJYFJUKP-DTWKUNHWSA-N	314.744	1.974	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)NC[C@H]1CNC(=O)C1	840394764	FXQMFHJMEIPHLH-GFCCVEGCSA-N	304.394	1.881	50	20	DDGD	
C[C@@H]1CCC[C@H](OCC(=O)NNc2ncnc3[nH]cnc23)C1	743471761	UZTFIUUJCRISAL-ZJUUUORDSA-N	304.354	1.391	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc3c(c2)C(=O)NC3=O)cc1	746886335	JKGNHDNYRGRIJY-UHFFFAOYSA-N	311.297	1.336	50	20	DDGD	
CCN(C)c1ccc(C(C)=NNC(=O)C(=O)NC(C)C)cc1	748076883	WGJXJTOAWDVSFI-UHFFFAOYSA-N	304.394	1.508	50	20	DDGD	
COc1ccccc1C1(C(=O)NNc2nnc(C)c(O)n2)CC1	749262147	SPXMFMBJSWHODM-UHFFFAOYSA-N	315.333	1.069	50	20	DDGD	
CNC(=O)NNC(=O)Cc1sc(C)nc1-c1cccs1	919879553	NJZVOMUVLGPDIS-UHFFFAOYSA-N	310.404	1.683	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)CCc2ccccc2)CCN1	841988924	XIWAGQNRXUHYOW-JSGCOSHPSA-N	304.394	1.090	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CCOC[C@@H]2CCCO2)n1	748336048	SNDFPTAANQYADF-JTQLQIEISA-N	314.773	1.467	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN(Cc2ccccc2)C1)NC1CC1	847390704	JYSSFCQORSDLQP-CYBMUJFWSA-N	302.378	1.001	50	20	DDGD	
COc1cc2c(cc1OC)C(=NNC(=O)[C@@H]1CCO[C@@H]1C)CC2	842561964	UGRTWHJJPXQLIL-ZYHUDNBSSA-N	318.373	1.895	50	20	DDGD	
CCC(CC)(CO)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	847280804	IEEAWANDLLKXFY-UHFFFAOYSA-N	309.322	1.155	50	20	DDGD	
CO[C@]1(C)CC(=NNC(=O)[C@@H](C)CN2CCOCC2)C1(C)C	746563365	BOPYUYWKBYEARO-BLLLJJGKSA-N	311.426	1.262	50	20	DDGD	
COC(=O)CSCC(=O)NNC(=O)c1cccc(Cl)c1	849191619	RJKGOQIQOLQCPP-UHFFFAOYSA-N	316.766	1.007	50	20	DDGD	
Cc1cnc(CNC(=O)NNC(=O)c2ccccc2C)s1	743512824	YVJQNOCUTVWORO-UHFFFAOYSA-N	304.375	1.904	50	20	DDGD	
C[C@@H](O)CN(CC(=O)NNC(=O)C(C)(C)C)c1ccccc1	744391985	ACVBSBHOAFAXCD-GFCCVEGCSA-N	307.394	1.067	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1ccccc1)C(=O)OC(C)(C)C	847426033	CEMZBLDJWLAMJG-NSHDSACASA-N	321.377	1.608	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NC[C@]1(C)CCCNC1	841970613	NSMFVCJERLSOKF-QGZVFWFLSA-N	318.421	1.258	50	20	DDGD	
C[C@@]1(CC(=O)NNC(=O)c2ncccn2)CC1(Cl)Cl	841353661	XXTWBCJPJBJYSV-SNVBAGLBSA-N	303.149	1.212	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccnc1C(F)(F)F	843663403	XCXJRUBRXLRFBX-SFYZADRCSA-N	317.267	1.286	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)OCC(=O)N2CCC2)c1	746936202	BBUMLSXBXBQFSR-JYRVWZFOSA-N	300.314	1.378	50	20	DDGD	
CC(C)(CO)C(=O)NNC(=O)c1cccc(Br)c1	847530360	RPKHJZUTUSECQN-UHFFFAOYSA-N	315.167	1.229	50	20	DDGD	
CN(C)N(C(=O)c1cccc(C2CC2)c1)[C@@H]1CCS(=O)(=O)C1	846783853	FIFITUWDGCIMDS-OAHLLOKOSA-N	322.430	1.670	50	20	DDGD	
COCCOCC(C)=NNC(=O)[C@H](C)CN1CCC(C)CC1	741162724	CBUZFAOBBJQSTI-CQSZACIVSA-N	313.442	1.510	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)C[C@@H](C)OC	749559663	CLXNQGYVORTAKK-LLVKDONJSA-N	318.377	1.171	50	20	DDGD	
CNC(=S)N(C)NC(=O)Cc1ccccc1C(F)(F)F	854924311	UJRUMLORRHQCSP-UHFFFAOYSA-N	305.325	1.715	50	20	DDGD	
CC(C)NC(=O)CCCC(=O)NC[C@]1(C)C[C@H]1Br	857400608	IGNPXNNJQZXONJ-MFKMUULPSA-N	319.243	1.971	50	20	DDGD	
O=C(NCC1CC2(C1)OCCO2)NNc1cc(F)ccc1F	927100711	IKTWMJAEGVEUTA-UHFFFAOYSA-N	313.304	1.744	50	20	DDGD	
CC(C)C(=O)NNC(=O)CSc1nc(-c2ccccc2)no1	754844026	AQTFJHUADHGOHR-UHFFFAOYSA-N	320.374	1.632	50	20	DDGD	
CC(C)c1nn(C)cc1C(=O)NNC(=S)N[C@@H](C)C1CC1	855103456	VZLRGZDQWXGACB-VIFPVBQESA-N	309.439	1.451	50	20	DDGD	
Cn1cc(CCC(=O)NNC(=O)NC2CC2)c2ccccc21	755236890	DDTAYXUFVHMWNG-UHFFFAOYSA-N	300.362	1.604	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C[C@H]1C[C@H]1c1ccccc1	755680095	YIBYLPLKCLUXOH-KGLIPLIRSA-N	311.341	1.915	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)c1nccn2ccnc12	758295917	NSXURVASUBVCIW-UHFFFAOYSA-N	321.300	1.135	50	20	DDGD	
Cc1cccc2nc(/C(C#N)=C/c3cn(CC(=O)O)nn3)[nH]c12	759085705	XDNZKHXSOCVRKL-BJMVGYQFSA-N	308.301	1.612	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NC1CCN(CC#N)CC1	853699013	WGFUFELSHSROOZ-UHFFFAOYSA-N	305.357	1.748	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)c2ccc3c(c2)OCCO3)o1	753907374	KUPJKQYQTQSUSR-UHFFFAOYSA-N	316.313	1.363	50	20	DDGD	
CC(C)[C@H]1C[C@@H](C(=O)NNC(=O)Cc2ccc(F)cc2)CCO1	929331865	YAHVHKZQCDOYFZ-DZGCQCFKSA-N	322.380	1.967	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(Cl)cn1)[C@@H](C)S(C)(=O)=O	856091125	FTRBIVFBLKNRGC-HTQZYQBOSA-N	305.787	1.247	50	20	DDGD	
O=C(NNC(=O)N1CCN(c2ccncc2)CC1)C1CCCC1	753346143	VWTKWFGIXWABCR-UHFFFAOYSA-N	317.393	1.135	50	20	DDGD	
Cn1nc(C(=O)NNc2ncccc2[N+](=O)[O-])cc1C1CC1	759303147	HILBHBXHKYQECA-UHFFFAOYSA-N	302.294	1.358	50	20	DDGD	
Cc1nc([C@H](C)NC(=O)NC[C@@]2(C)C[C@H]2Br)n[nH]1	856957943	IEDCHUVOGJIUGS-FMTFEUNWSA-N	316.203	1.647	50	20	DDGD	
Cn1cc(C(=O)NNc2ncc(F)cc2F)c(C(F)F)n1	857533191	MHVUXTRAWMOEAD-UHFFFAOYSA-N	303.219	1.788	50	20	DDGD	
COCCCNC(=O)NN=Cc1cc(Cl)c2c(c1)OCO2	920829299	CREXKCIWBGVHKI-UHFFFAOYSA-N	313.741	1.738	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)N[C@H]1CC[C@H](O)CC1	753715639	XIFDJBUFOIVBNE-XYPYZODXSA-N	323.418	1.484	50	20	DDGD	
COc1cc(C(=O)NNC(=O)N(C)C)ccc1Br	858908118	WNNLSHJKARIRPC-UHFFFAOYSA-N	316.155	1.374	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	858218154	INFICJHVNIAIHS-CYBMUJFWSA-N	322.361	1.424	50	20	DDGD	
C=CCCCCCCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1	858465147	BJHBLIWXARIYCY-LBPRGKRZSA-N	310.398	1.122	50	20	DDGD	
O=C(CCCC[C@H]1CCSS1)NC[C@]1(O)CCOC1	755220523	FKESGCNHCHJPPJ-WCQYABFASA-N	305.465	1.968	50	20	DDGD	
CNC(=S)N(C)NC(=O)COc1ccc(Cl)c(C)c1	854929799	SKQAHUGXWWFGSG-UHFFFAOYSA-N	301.799	1.495	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NN=C1CCCOCC1	853376333	OYJUOTRQMVYGAN-UKRRQHHQSA-N	320.393	1.561	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C1CCSCC1	854281349	FGWBUMVWMDYODX-UHFFFAOYSA-N	305.469	1.004	50	20	DDGD	
CN(C[C@@H]1COCCO1)C(=O)[C@H](Br)C(C)(C)C	855681197	HBKRPTXNORGZTE-ZJUUUORDSA-N	308.216	1.670	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@]1(C(=O)OC(C)(C)C)CC1(C)C	854410041	QGFDYLCWEAOFRG-AWEZNQCLSA-N	300.355	1.474	50	20	DDGD	
CCc1ccc(C=NNC(=O)C(=O)Nc2ccccn2)s1	758380625	JCCMODQDZOKMGS-UHFFFAOYSA-N	302.359	1.794	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccccc2)c2ccccc2c1=O	757760687	SDTAQNUUWORJCC-UHFFFAOYSA-N	321.336	1.613	50	20	DDGD	
C[C@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@@H](c2ccsc2)O1	759751252	NGPLTVVGLSMIJF-GWCFXTLKSA-N	323.418	1.067	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Nc2nc3ccsc3s2)cn1	756638534	SNZYSYFJMUPONB-UHFFFAOYSA-N	322.375	1.558	50	20	DDGD	
CCOc1ccc(CCC(=O)NNC(=O)c2cn[nH]c2)cc1	862474441	LDWCLCWDVVBSKK-UHFFFAOYSA-N	302.334	1.202	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@H]1CC(=O)N(C2CC2)C1	766671174	HUELKUKAJQYQTQ-QMMMGPOBSA-N	317.374	1.145	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)CC(F)(F)F)c1ccccc1F	760812927	RATLWARAIVXLFT-GFCCVEGCSA-N	322.258	1.787	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNC(=S)N[C@@H](C)C2CC2)n1	869218367	LWRQIJOVORJHTE-KOLCDFICSA-N	309.439	1.121	50	20	DDGD	
CCSc1ccc(C(C)=NNC(=O)CS(C)(=O)=O)cc1	863187181	ATKMBGZNPPKEIU-UHFFFAOYSA-N	314.432	1.683	50	20	DDGD	
CCOC(=O)N1CSC[C@H]1C(=O)NNc1ccccc1F	935016377	FOGBCIHMIVPQFG-NSHDSACASA-N	313.354	1.800	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccc(F)cc1	862095047	HDDBTLYLYXOFNA-WQAKAFBOSA-N	310.325	1.086	50	20	DDGD	
CC(C)C1(C(=O)NNC(=O)c2cccc3cccnc23)COC1	931188118	KWHOCVRXBNTVQP-UHFFFAOYSA-N	313.357	1.668	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc[nH]1	862509953	YKQZBKWDMKWIQC-CYBMUJFWSA-N	316.405	1.436	50	20	DDGD	
CCCNC(=O)c1cccc(NCc2ccccc2B(O)O)c1	864026452	JPUDPVZCNDQWSM-UHFFFAOYSA-N	312.178	1.118	50	20	DDGD	
COc1cccc([S@@](=O)CC(=O)NN[C@H](C)C(F)(F)F)c1	862323222	QYCIJWYNOMFEDH-ZEDNOMKYSA-N	324.324	1.374	50	20	DDGD	
Cc1ncc(NC(=O)C(=O)NNC(=O)CC2CCCC2)s1	764184714	RYXSPGYPNDTEMH-UHFFFAOYSA-N	310.379	1.118	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)NNc1cccc(F)c1Cl	862509039	FDWMXIYFKCWSGL-SECBINFHSA-N	302.737	1.759	50	20	DDGD	
CN(C)C(=O)Nc1cccc(NCc2ccc(B(O)O)cc2)c1	864038254	KMBSYXXOFJYAOR-UHFFFAOYSA-N	313.166	1.072	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)c1cc2n(n1)CCCO2	762238161	RVDSGTLWHTYCCX-UHFFFAOYSA-N	309.329	1.971	50	20	DDGD	
CCCCOc1ccccc1NC(=O)C(=O)NNC(=O)C(C)C	763820113	GIBWPUSRPAFXFT-UHFFFAOYSA-N	321.377	1.607	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)COCc2ccccc2)CCC1=O	764317189	DEIOLQJXMUKMLZ-OCCSQVGLSA-N	318.373	1.356	50	20	DDGD	
O=C1NCCC[C@H]1C(=O)NNc1cccc(Br)c1	866867492	QOTTZZFQMLGPLN-SNVBAGLBSA-N	312.167	1.418	50	20	DDGD	
CC(C)CN1C[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2)CC1=O	768243779	YVUQUBNNADQNGN-NSHDSACASA-N	320.349	1.542	50	20	DDGD	
CCOc1ccc(O)c(C=NNC(=O)Cc2cc(C)[nH]n2)c1	767404014	UPENRIRWKGIJSQ-UHFFFAOYSA-N	302.334	1.515	50	20	DDGD	
COc1cccc(C(=O)NNc2nccnc2OC)c1OC	764470839	MGLILYBGFNYJIC-UHFFFAOYSA-N	304.306	1.259	50	20	DDGD	
COC(=O)NNC(=O)c1cc(OCc2ccccc2)ccn1	765842990	YKMTZCVIIVJCCI-UHFFFAOYSA-N	301.302	1.661	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)NOCC(F)(F)F	765984986	FLXQSVWHXGKMKO-UHFFFAOYSA-N	323.296	1.675	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C2CC2)cc1	764084958	WIQCUEUPXRMDHS-SNVBAGLBSA-N	303.362	1.696	50	20	DDGD	
CSCCNC(=S)NNC(=O)CC[C@H]1CCCCO1	769767914	AUKUDBMSWHTMKZ-SNVBAGLBSA-N	305.469	1.194	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2ccc(O)c([N+](=O)[O-])c2)n[nH]1	767407972	QTKHHMQIZGZPSR-UHFFFAOYSA-N	303.278	1.025	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2CCS(=O)(=O)[C@@H]2C)cc1F	875867416	PQVSFQFYADAPMG-BXKDBHETSA-N	315.370	1.336	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)[C@H]1CCN1C1CCCC1	874957301	ICEWGGLDNANXHI-GFCCVEGCSA-N	319.434	1.416	50	20	DDGD	
O=C(NNC(=O)c1cnc(C(F)(F)F)nc1)NC1CCCC1	777784488	LMZVKPFNPCMWJJ-UHFFFAOYSA-N	317.271	1.382	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C	875575708	XAWHXEJDMQOYOK-WCQYABFASA-N	308.382	1.590	50	20	DDGD	
Cc1cc2c(cc1C)[C@H](C(=O)NNc1nnc(C)c(O)n1)CO2	771721272	FHNODKMZCAYERH-LLVKDONJSA-N	315.333	1.122	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cc2c(cn1)OCCC2	1116532122	HULYNENPCIGLLJ-UHFFFAOYSA-N	311.341	1.790	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@@H](CO)c1ccc(F)cc1	778592912	QWWVNEAQPNMHLT-AWEZNQCLSA-N	317.320	1.503	50	20	DDGD	
COc1cc(C)ccc1CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	1118123856	RFKUECBIIWCZCI-DGCLKSJQSA-N	321.377	1.259	50	20	DDGD	
Cc1nnc(SCC(=O)NNC(=O)C(C)(C)C)n1C(C)C	777585845	MRCLXXBXDZGNCI-UHFFFAOYSA-N	313.427	1.453	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@H](C)c1ccncc1	772204166	VANAWMBIKGXTDJ-WDEREUQCSA-N	307.350	1.064	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CN(C)CC(C)(C)C	874449850	FRTLEGVGQDDKPI-UHFFFAOYSA-N	307.394	1.434	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@H]1CCC(=O)C1	873770597	RIIXEIDYXONUTN-VIFPVBQESA-N	307.375	1.382	50	20	DDGD	
O=C(NN=Cc1cn(C[C@@H]2CCCO2)nn1)c1ccccc1F	872327223	KJVLPTJFHDNPAR-LBPRGKRZSA-N	317.324	1.360	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(-c2nnc(C)o2)cc1	878852377	LTDSIAPOARYURZ-UHFFFAOYSA-N	305.338	1.660	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccn(C(CC)CC)n1	772202988	NQOAQLMSLOGNNO-JTQLQIEISA-N	324.381	1.347	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CC[C@@H](C)C2)cc1C	776338302	IAWLIIGYQKMXNY-ZWNOBZJWSA-N	317.389	1.826	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1nc(Br)cs1	887147077	WWTQWFHSGWTQDC-UHFFFAOYSA-N	316.180	1.470	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCc2cnc(C)s2)o1	772021779	PNCCKYDTBKZKSS-UHFFFAOYSA-N	308.363	1.540	50	20	DDGD	
O=C(CCC(=O)c1cccs1)NNC(=O)C1CCOCC1	883059124	MIZKXKSYAKCZRF-UHFFFAOYSA-N	310.375	1.285	50	20	DDGD	
Cn1nc(C2CC2)nc1CC(=O)NNc1cc(F)ccc1F	885142196	WNSKDYKNZHOSAA-UHFFFAOYSA-N	307.304	1.657	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)O[C@H]1CCN(CC(F)(F)F)C1=O	786680968	PBDGSNMKAIPGSJ-CYNRKNSPSA-N	302.252	1.553	50	20	DDGD	
C[C@@H]1CN(CCCNS(=O)(=O)CCCCl)C[C@@H](C)O1	881774594	XNMAEEXBHXAQHG-VXGBXAGGSA-N	312.863	1.034	50	20	DDGD	
Cc1nc([C@@H]2CCCN(S(=O)(=O)CCCCl)C2)n[nH]1	881992718	VQELRXZEAITNEU-SNVBAGLBSA-N	306.819	1.251	50	20	DDGD	
O=C(C[C@H]1CCS(=O)(=O)C1)NNc1ccc(Cl)cc1F	885110057	NKDBHIISNKXEOP-MRVPVSSYSA-N	320.773	1.747	50	20	DDGD	
O=C(Cn1ncc2ccccc2c1=O)NNc1ccnc(F)c1	781357236	FUPMVMRUUGKZDI-UHFFFAOYSA-N	313.292	1.074	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(-c3ccncc3)on2)nc1	781519149	PLKPUBJSCNCJRN-UHFFFAOYSA-N	311.301	1.897	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCC(F)(F)c2ccccc2)cn1	788849363	STPTZYZEFCDFTQ-UHFFFAOYSA-N	323.303	1.156	50	20	DDGD	
Cn1cc(C(=O)NN=C2CCOC[C@H]2CN2CCCCC2)cn1	787157785	MVXAVEALBDQFPT-CQSZACIVSA-N	319.409	1.028	50	20	DDGD	
COCc1nc(C(=O)NNc2ccccc2C(=O)OC)cs1	780737027	CYAWWFRKYGDBRE-UHFFFAOYSA-N	321.358	1.833	50	20	DDGD	
Nc1ccc(C(=O)NN=Cc2cn(Cc3cccnc3)nn2)cc1	783783464	KIZWQCVQWFLFPK-UHFFFAOYSA-N	321.344	1.068	50	20	DDGD	
O=C(CO)NN=Cc1ccc(OCc2ccccc2)cc1O	783858759	FAFXDMDEZRSXOJ-UHFFFAOYSA-N	300.314	1.414	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2cc(F)c(F)cc2F)C(=O)O1	896342130	BOSODSSZPITGGC-GPXNAGAYSA-N	303.240	1.434	50	20	DDGD	
NC[C@H]1CC[C@H](NC(=O)NNC(=O)Cc2ccccc2F)CC1	892446689	NWYVNHJMMVTEIO-AULYBMBSSA-N	322.384	1.216	50	20	DDGD	
Cn1cc(C=NNC(=O)C(F)F)c(-c2ccc(C#N)cc2)n1	782234975	KDHPRCJFWJEMOY-UHFFFAOYSA-N	303.272	1.674	50	20	DDGD	
CO[C@]1(C(=O)NNc2cccc([N+](=O)[O-])c2C)CCSC1	897154604	WFEOJSPVMJVERX-CYBMUJFWSA-N	311.363	1.868	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ncncc2Cl)c(C)c1	782166335	RUCBMNLHPJVTQN-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
CC(=NNC(=O)c1cccnc1)c1ccc2c(c1)OCC(=O)N2	794854677	KNBUCGFFLFMEIY-UHFFFAOYSA-N	310.313	1.567	50	20	DDGD	
O=C1CC[C@@H]2[C@@H]1[C@@H]2C(=O)NNc1nc(C(F)(F)F)cs1	896315035	OHZMYDCMWOYGFP-BTZDVCGTSA-N	305.281	1.830	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	792811670	ZWETYMJIIXBTOQ-BZNIZROVSA-N	317.389	1.919	50	20	DDGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNC(=O)c2cccc(C#N)c2)C1	793419909	WGBOVWIGYQVZGQ-IUODEOHRSA-N	315.373	1.915	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc(C#N)c(OC)c1	799481379	UCHRJHMFZNTCNN-UHFFFAOYSA-N	316.361	1.322	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)Cc1ncccc1F	792121265	NVMCUNFJDFNCHS-UHFFFAOYSA-N	301.321	1.543	50	20	DDGD	
CC(CC(C)(C)c1c[nH]c2ccccc12)=NNC(=O)C(N)=O	799465767	KUAOMMRMTORMAS-UHFFFAOYSA-N	300.362	1.813	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cc(S(C)(=O)=O)ccc1F	791217517	UEMJIQUQDVKNEH-UHFFFAOYSA-N	323.349	1.690	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)c1ccc(CC(F)(F)F)cc1	790386981	PLLPVFUJEVDECS-UHFFFAOYSA-N	324.324	1.757	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2cc(Cl)cc(Cl)c2)CN1	791735392	ZYIGRAMNFWHKCJ-SSDOTTSWSA-N	302.161	1.963	50	20	DDGD	
C[C@H]1CCSCCN1C(=O)NNC(=O)c1cccc(C#N)c1	791020874	WOHMNRDGQSDCCG-NSHDSACASA-N	318.402	1.740	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)C[N+](C)(C)C)CN1Cc1ccccc1	794456123	IDSIOFFRGUVFKT-CQSZACIVSA-O	303.430	1.459	50	20	DDGD	
Cc1nnc(SCC(=O)NNC(=O)c2ccc(F)cc2)o1	1317697037	PNOBMXKAIKLVQI-UHFFFAOYSA-N	310.310	1.070	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H]1CCCCN1Cc1cccnc1	1318903628	QTBYXUBKCGVRNX-CQSZACIVSA-N	319.409	1.177	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@@H](F)Cc2ccccc2)c1Cl	1319899325	ABQGBNTWGUCDJG-VIFPVBQESA-N	309.732	1.736	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ncoc1[C@H]1CCCO1	1320708520	YSJTUWYDEPDOAL-SECBINFHSA-N	314.305	1.326	50	20	DDGD	
CC[C@@H](C)n1ncc(NC(=O)NNC(=O)CCO)c1C1CC1	1321215480	RSCXGQUNNMYNFF-SECBINFHSA-N	309.370	1.267	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C[C@@H](C)c2cnn(C)c2)cc1	1328597161	BIHQLYOGVUXDLE-LLVKDONJSA-N	316.361	1.384	50	20	DDGD	
CCCC[C@H](COC)NC(=O)NNc1nncc(N)c1Cl	1322667731	ZZIFTMHRGAOTFV-MRVPVSSYSA-N	316.793	1.544	50	20	DDGD	
Cc1nnc(O)c(CNC(=O)NNc2ncc(Cl)cn2)c1C	1328908125	ZWUQVSSELLRWRP-UHFFFAOYSA-N	323.744	1.069	50	20	DDGD	
C[C@@H]1CCC[C@@H]1NC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1328519650	VMNZTLFIJRRFEG-BSTOTGJRSA-N	317.227	1.581	50	20	DDGD	
CCCC(=O)N1CCCC[C@H]1C(=O)NNC(=S)NC(C)C	1322553946	TUGIUYQXKPFOCX-NSHDSACASA-N	314.455	1.071	50	20	DDGD	
COc1ccc(OCCCC(=O)NNc2ccn(C)n2)cc1	1321105847	RXIRGAIJIFJUCP-UHFFFAOYSA-N	304.350	1.731	50	20	DDGD	
CC(C)NC(=S)NNC(=O)CN(C)c1ccc(Cl)cn1	1333804978	MOFGEZRLDYHQMV-UHFFFAOYSA-N	315.830	1.075	50	20	DDGD	
CC(C)c1ncsc1NC(=O)NNC(=O)C1CCNCC1	1331431868	FUJYOPYLTIJNSN-UHFFFAOYSA-N	311.411	1.419	50	20	DDGD	
Cc1noc(C)c1C(C)(C)C(=O)NNC(=O)C1CCOCC1	1331290391	PQWJOFWEZJOIST-UHFFFAOYSA-N	309.366	1.143	50	20	DDGD	
CN(C)[C@@H](C(=O)NNC(=O)NC1CC1)c1cccc(Cl)c1	1339432937	ZMVABLFPXPHWHO-GFCCVEGCSA-N	310.785	1.436	50	20	DDGD	
CC(C)CC(=O)N1CCCC[C@@H]1C(=O)NNc1ncncc1F	1263832525	HGDQYIXJLNTLHJ-GFCCVEGCSA-N	323.372	1.486	50	20	DDGD	
COC/C(C)=C/C(=O)NNc1cncc(Br)c1	1346194228	MCNATZACCZWWQO-FPYGCLRLSA-N	300.156	1.880	50	20	DDGD	
CCOc1nc(C(=O)NNC(=O)c2ccccc2Cl)co1	1342858741	KVHMODRFYSZHCP-UHFFFAOYSA-N	309.709	1.802	50	20	DDGD	
O=C(Cc1ccsc1)NNC(=O)NC[C@H]1CCCCCN1	1346698359	CUURRMRXSFXXGV-GFCCVEGCSA-N	310.423	1.153	50	20	DDGD	
C=C(C)CCC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1602760039	XBYWUONKHNBVLL-UHFFFAOYSA-N	305.342	1.778	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)c1ccc([N+](=O)[O-])[nH]1	1601557370	UVVDKYQUWPUFQA-UHFFFAOYSA-N	308.225	1.517	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1CCc2cc(-c3nn[nH]n3)ccc21	1609239898	ZTQUTKDFFDQGKW-BRADTZPFSA-N	324.344	1.414	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1c[nH]cc1C1CC1	1606857517	MYFCNCJLPCCKTJ-UHFFFAOYSA-N	309.333	1.829	50	20	DDGD	
C[C@@H](CBr)COC(=O)c1ncccc1C(=O)O	1603119039	QCIBAPYXRHBTTR-ZETCQYMHSA-N	302.124	1.968	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1ccc(C(=O)O)nc1	1601555724	GJXIHXUKDRDKDC-UHFFFAOYSA-N	324.296	1.336	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)N[C@H]1C[C@@H](C(=O)O)C1	1608484024	IFMLUUJMWGMSRH-KNVOCYPGSA-N	307.335	1.181	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cccc3c2OCO3)nc1	1602382878	HJWMREYRZJNOEH-UHFFFAOYSA-N	301.258	1.265	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1ccc(C#N)[nH]1	1607141395	LTUWCFWOGNXCMR-UHFFFAOYSA-N	300.274	1.350	50	20	DDGD	
N#Cc1ccc(CC(=O)NNc2cccc(F)c2C(=O)O)cn1	1601097698	CUQSFKGFVYSBET-UHFFFAOYSA-N	314.276	1.476	50	20	DDGD	
CC(=NNC(=O)CCN1CCC(C)CC1)c1cc(C(=O)O)co1	1602986911	AAJCRSOGTYCPGK-UHFFFAOYSA-N	321.377	1.940	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H](C)CC(=O)O)cc(C#N)n1C	1611122534	QHOCHCSAIMHYBN-NRIUJFNNSA-N	300.318	1.092	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H](C(=O)NN)c1ccc(F)cc1F	1575208633	OSIROMIPOZVOBT-SNVBAGLBSA-N	301.293	1.521	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C2(N)CCCC2)c1C	1579767471	CHECGWDZJGCVBG-UHFFFAOYSA-N	306.435	1.893	50	20	DDGD	
CCCN(NC(=O)[C@H](F)[C@@H]1CCNC1)C(=O)OC(C)(C)C	1577530475	KZXNOTHNIPTLIE-GHMZBOCLSA-N	303.378	1.612	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNc2ccc(C(=O)O)cn2)cc1	1589186125	HYJUUDRXHLBGPM-UHFFFAOYSA-N	314.301	1.495	50	20	DDGD	
CN(C)N(C(=O)C[C@H]1CCOC1)c1nc(CC(=O)O)cs1	1598256997	ZJAVNOJSNXVTFT-SECBINFHSA-N	313.379	1.006	50	20	DDGD	
CCn1cc(CC(=O)NNc2cccc(F)c2C(=O)O)cn1	1597884371	KOGJVKHTQKPSCM-UHFFFAOYSA-N	306.297	1.426	50	20	DDGD	
Cc1cccnc1/C=C/C(=O)NNc1cccc(-c2nn[nH]n2)c1	1592264421	RFVFIRBYCITMSM-BQYQJAHWSA-N	321.344	1.727	50	20	DDGD	
CCCn1nccc1C(=O)NNc1ccc(C(=O)O)c(F)c1	1596122338	YCCPWHFNXVFYDH-UHFFFAOYSA-N	306.297	1.887	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNC(=O)Cc2ccncc2)c1	1594288152	AFQGDNROOBWZOO-UHFFFAOYSA-N	313.313	1.092	50	20	DDGD	
CCn1cc(C(=O)NNc2ncccc2C(=O)O)c(C2CC2)n1	1593664956	HFDXKWXQJCBNHB-UHFFFAOYSA-N	315.333	1.631	50	20	DDGD	
Cc1ccc(NC(=O)NNc2ncccc2C(=O)O)c(C)n1	1594372817	SDYCDORCTCKUJC-UHFFFAOYSA-N	301.306	1.940	50	20	DDGD	
CC(C)c1nn(C)c(Cl)c1C(=O)NNC(=O)c1cccnc1	158235988	GKAZFZPJYYOSRD-UHFFFAOYSA-N	321.768	1.667	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1c(Cl)cccc1[N+](=O)[O-]	165283775	VIWKFEGAERAFGE-UHFFFAOYSA-N	322.708	1.662	50	20	DDGD	
CSC[C@@H](C)C(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	151099446	CDBDALQYUMHOHU-MRVPVSSYSA-N	324.431	1.898	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2cn(Cc3ccccc3)nn2)c1	152452281	ISXGIJUIGQCECH-UHFFFAOYSA-N	318.340	1.955	50	20	DDGD	
CCc1ncc(NC(=O)C(=O)NNc2ccccc2F)cn1	155553914	PSGBZNWGMKAWGR-UHFFFAOYSA-N	303.297	1.260	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2noc3c2CCCCC3)n1	155265592	WKVIQIUGXNPMSK-UHFFFAOYSA-N	317.349	1.807	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc(Br)cc1	155381411	PENHXMAUODOBQH-UHFFFAOYSA-N	315.171	1.163	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CCNC(=O)c2ccco2)c1	156504873	PEHDFTDBFBULSR-UHFFFAOYSA-N	321.308	1.691	50	20	DDGD	
COCCC1(C(=O)NNC(=O)c2c[nH]c3ccccc23)CC1	156970188	XXWGTWVZIXOCTR-UHFFFAOYSA-N	301.346	1.746	50	20	DDGD	
O=C(NNc1ccc(S(=O)(=O)C(F)(F)F)cc1)C1CC1	159994550	VLVFJBFIAUHHAP-UHFFFAOYSA-N	308.281	1.833	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)c2ccc(CCl)cc2)C[C@@H](CO)O1	312572504	SLYLKPGKCVXVOF-PWSUYJOCSA-N	319.810	1.196	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CN1CSCCSC1	899924969	DKTNCRCSSHPKGM-UHFFFAOYSA-N	307.441	1.239	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cccnc2)c1OC	496791	XSGOLVJJGURTFL-UHFFFAOYSA-N	301.302	1.174	50	20	DDGD	
CCSCc1ccc(C(=O)NNC(=O)C(=O)NC(C)C)cc1	55041039	KNYOIQWKFMZIBD-UHFFFAOYSA-N	323.418	1.225	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccc(C)o2)cc(OC)c1C	175830081	PBLSENHCVFHSIE-UHFFFAOYSA-N	318.329	1.988	50	20	DDGD	
CS(=O)(=O)CC1(CC(=O)NNc2c(F)cccc2F)CC1	177415472	ZHMMCUKCBRDBPC-UHFFFAOYSA-N	318.345	1.623	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNc2ccnc3ccccc23)c(=O)[nH]1	106925564	QRLZFBMOQOCRMT-UHFFFAOYSA-N	323.356	1.621	50	20	DDGD	
COc1ccc(C(=O)NNc2nccnc2Cl)cc1OC	114893555	SYJGELGPKWLYDU-UHFFFAOYSA-N	308.725	1.904	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C1[C@H]2CCC[C@H]12	177618897	JRTKPWVUAMMBDQ-ICCXJUOJSA-N	306.337	1.787	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1cccc2c1OCO2	66785458	SXQSRUIHNGTOAR-UHFFFAOYSA-N	316.288	1.558	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCC(=O)N1CCCc2ccccc21	179139685	VPAPRFPVAKMNNP-WYMLVPIESA-N	313.357	1.526	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)[C@H]1COc2ccccc21	113053178	ZGACIIGLOMWKGP-ZDUSSCGKSA-N	314.316	1.692	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1c(F)cccc1F)C(C)C	118512326	RIBSLDWCZPBQGK-JTQLQIEISA-N	301.293	1.789	50	20	DDGD	
CCc1ncc(C(=O)NNC(=O)COc2cccc(C)c2)s1	65095018	HXHQVSJQBJGUJQ-UHFFFAOYSA-N	319.386	1.854	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1C[C@H](c2ccccc2)C[C@@H]1C	115553222	FOIJSLPCUOJBHF-KCQAQPDRSA-N	303.406	1.810	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@H]1[C@H]2c3ccccc3C[C@H]21	119903529	VJCZGFKWYQJMRG-MJBXVCDLSA-N	301.390	1.949	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C1[C@H]2CCC[C@H]12	177603568	MRYIRHQFCBVGSC-VWYCJHECSA-N	306.337	1.787	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cn(-c2ccccc2)nc1C	110759146	DRDJMDDXPOAYKB-UHFFFAOYSA-N	324.344	1.287	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H]2CCCO[C@H]2C(C)C)nn1	176792854	OURZWMCJKJPRST-JSGCOSHPSA-N	307.398	1.862	50	20	DDGD	
Cc1n[nH]c2ncc(C(=O)NNC(=O)c3ccc(C#N)cc3)cc12	67474541	ODBPEOQGZDOVLY-UHFFFAOYSA-N	320.312	1.213	50	20	DDGD	
COc1ccc(C)nc1NC(=O)NNC(=O)c1ccccc1	127245285	ZAQRUFIXQOGSOY-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)[C@H](O)c1ccccc1	73432150	AEMWJMKMKCPMEG-QGZVFWFLSA-N	323.352	1.522	50	20	DDGD	
CN(C)CC(=O)NNC(=O)COc1ccccc1C(C)(C)C	75652970	KWVHMFMUDMQZAA-UHFFFAOYSA-N	307.394	1.072	50	20	DDGD	
COC(=O)[C@H](C)CN(C)C(=O)c1c(C)nn(CCCl)c1C	73641633	MWEHLLCLWMSUAN-SECBINFHSA-N	315.801	1.620	50	20	DDGD	
COc1ccc(C(=O)CCCC(=O)NNc2cccnn2)cc1	184795016	RKHFYKGMBHAJAF-UHFFFAOYSA-N	314.345	1.982	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCCN1CCOCC1(C)C	185338576	FGEDEAYADXOJRA-UHFFFAOYSA-N	324.400	1.871	50	20	DDGD	
Cc1cccc2c(=O)n(CCC(=O)NNc3cccnn3)cnc12	77028885	YDHRYXDANVBJJK-UHFFFAOYSA-N	324.344	1.028	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C(C)C)N2CCCC2=O)s1	121322873	CZOZNWVTNQPCSS-CYBMUJFWSA-N	323.418	1.465	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)/C=C/c1ccc(Cl)nc1	124203462	KITSNXMNPTXZDS-FNORWQNLSA-N	304.737	1.548	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C1CCC1	127901078	WDDBETKLGUWHPH-SECBINFHSA-N	306.322	1.727	50	20	DDGD	
COc1cccc(NNC(=O)c2c[nH]c3ccccc3c2=O)n1	180733501	HOYFRAOHWUOZRS-UHFFFAOYSA-N	310.313	1.689	50	20	DDGD	
COc1cccc(NNC(=O)Cn2cnc(-c3ccccc3)n2)n1	180670230	WKIKJQROOAJQCE-UHFFFAOYSA-N	324.344	1.492	50	20	DDGD	
CC(=O)N[C@@H](CC(C)C)C(=O)NNc1nnc(C2CC2)s1	184539822	FNMFPSMPARICTM-JTQLQIEISA-N	311.411	1.409	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	46658320	JSQNVWKZLPBYFC-VIFPVBQESA-N	310.350	1.520	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1csc(-c2ccccc2F)n1	190057585	KDCJLWQLJQGAFF-UHFFFAOYSA-N	323.349	1.481	50	20	DDGD	
C[C@H](C(=O)NNC(=O)NC1CCCCC1)N(C)CC(F)(F)F	194997986	YMDWEKSNLFOAIX-SECBINFHSA-N	324.347	1.532	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNc1nc(-c2ccccc2)no1	130526972	YHHLOCJJGPRLLE-UHFFFAOYSA-N	318.333	1.769	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1	193655938	LGFPCXSKPKSNOT-LBPRGKRZSA-N	324.425	1.108	50	20	DDGD	
O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccncc1	194204615	VANSPGQEKNDKTR-UHFFFAOYSA-N	304.237	1.204	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1ccc(Cl)cn1	193811872	AXYDCHFMJAHACK-UHFFFAOYSA-N	312.757	1.257	50	20	DDGD	
C[C@H](CS(C)(=O)=O)C(=O)NNc1cc(F)c(F)cc1F	80098275	DTMXUXLTXJMFGO-ZCFIWIBFSA-N	310.297	1.228	50	20	DDGD	
O=C(C[C@H]1CSCCN1)NNc1ncnc2ccsc12	238091499	IJPYYBKZMRFLRF-QMMMGPOBSA-N	309.420	1.230	50	20	DDGD	
Cn1c(=NNC(=O)NCCn2cccn2)sc2ccccc21	255642445	YXDFZUAITNPFJT-UHFFFAOYSA-N	316.390	1.251	50	20	DDGD	
C[C@H]1CC[C@H](CCC(=O)NNC(=O)COc2ccccc2O)O1	266461148	QIADFWZGSBATPN-NWDGAFQWSA-N	322.361	1.266	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N1CCSCC1)c1ccccc1	264673010	SRKFSHXKPALDKY-UHFFFAOYSA-N	307.419	1.754	50	20	DDGD	
CSc1ccc(O[C@@H](C)C(=O)NNC(=O)NC(C)C)cc1	265929761	ROCWFUGYMBZCRQ-JTQLQIEISA-N	311.407	1.915	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)NC(=O)C2CCCC2)nc(C)n1	265566727	VAOXTNNBKCXGDM-JTQLQIEISA-N	305.382	1.231	50	20	DDGD	
N#CCCCCNC(=O)NNC(=O)c1ccc2c(c1)OCCO2	264093178	GBWYRRKMMFTWJD-UHFFFAOYSA-N	318.333	1.096	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCCO3)O1	268333307	OAEUPCOHDMFZQO-AAEUAGOBSA-N	320.345	1.176	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCO[C@H](C)CC(C)C)n1	279758622	DWYATSIJBGRILO-CYBMUJFWSA-N	307.394	1.992	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C2CC2)ccc1C(=O)NC(C)C	274123924	NPOUIERTZKZYRM-UHFFFAOYSA-N	318.377	1.696	50	20	DDGD	
COc1ccc(C)cc1NC(=O)C(=O)NNC(=O)CC(C)(C)C	274055127	JSWCRUGOKDAOTB-UHFFFAOYSA-N	321.377	1.526	50	20	DDGD	
CCCCS(=O)(=O)c1ccc(C(=O)NNC(=O)C2CC2)cc1	277448260	NWNLHGKQELHWNR-UHFFFAOYSA-N	324.402	1.431	50	20	DDGD	
CO[C@H]1CN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C[C@H]1OC	276789572	BJZRQZYULXXVBY-XWWZYGQCSA-N	303.318	1.805	50	20	DDGD	
C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CC=C(C#N)CC1	272592157	GBISRJBSNDQRBC-TZMCWYRMSA-N	304.394	1.547	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H]1CCc2c[nH]nc2C1	370425177	PYIQHMPXFIDQEQ-GFCCVEGCSA-N	321.812	1.749	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNC(=O)c2ccncc2)C1(C)C	273616234	ZSHOBGYKMNXSOT-OLZOCXBDSA-N	303.362	1.484	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccc(OC[C@H]2CCCO2)cc1	274049463	GWEBEYNYRHVPKG-CQSZACIVSA-N	319.361	1.807	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1C(=O)NNc1ccc(-n2ccnc2)nn1	286630264	NBVYSVYMZYNTAQ-BXUZGUMPSA-N	314.349	1.087	50	20	DDGD	
COC(=O)Cc1occ(C)c1C(=O)NNC(=O)OC(C)(C)C	289589040	RZGSKSDBFJFKPE-UHFFFAOYSA-N	312.322	1.473	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NNc1cc(F)c(F)cc1F	285645146	BSTNOSJDBRVNLP-CYBMUJFWSA-N	315.295	1.948	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NNC(=O)c1ccccc1F	280832352	WZAASKWBXZNXLF-SMDDNHRTSA-N	321.352	1.751	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)o1	370257953	ZOWDOOPWFKTGAK-RTXFEEFZSA-N	321.377	1.736	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	282670643	IUOADVLZXNHNNI-LBPRGKRZSA-N	319.361	1.062	50	20	DDGD	
Cn1nccc1COCC(=O)NNc1cccc2c1CCCC2	284736646	HBVDPAYPLYOILC-UHFFFAOYSA-N	314.389	1.959	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2C[C@]2(C)C(C)C)cc1	282628802	FRYUPYCKHYKFMC-SUMWQHHRSA-N	317.389	1.763	50	20	DDGD	
COc1ccnc(NNC(=O)Cc2c(C)nn(C(C)C)c2C)n1	292721167	PJAMBQFYSIBETB-UHFFFAOYSA-N	318.381	1.565	50	20	DDGD	
CCC1=C(C(=O)NNC(=O)c2cccc(OC)c2O)CCCO1	806551723	PNMUEDJVCBBQTO-UHFFFAOYSA-N	320.345	1.636	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1	808074825	LJKSDVDQQYBDOM-ZIAGYGMSSA-N	311.426	1.025	50	20	DDGD	
Cn1c(C(=O)NNc2ccnc(F)c2)cc2ccccc2c1=O	803089917	MWSOFXYBTLYIFW-UHFFFAOYSA-N	312.304	1.830	50	20	DDGD	
CCC[C@@H]1CCC[C@H]1C(=O)NNC(=O)CNC(=O)c1ccco1	294494928	JGSQWVOQSZKSTN-VXGBXAGGSA-N	321.377	1.373	50	20	DDGD	
O=C(NNc1cnccn1)[C@H]1CCCN(c2ccccc2)C1=O	293625700	XPGJXONEXNGOOH-CYBMUJFWSA-N	311.345	1.363	50	20	DDGD	
C[C@H]1CN(Cc2ccccc2)C[C@H]1NS(=O)(=O)CCl	389872070	QIKZTWOBXKRIAA-WCQYABFASA-N	302.827	1.623	50	20	DDGD	
CCO[C@H]1C[C@](O)(CNC(=O)NCCSSC)C1(C)C	807227716	DHRZEXPFZPHVNK-GWCFXTLKSA-N	322.496	1.863	50	20	DDGD	
CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NCC(Cl)Cl	808129833	XRJRMWSBJJSINC-ZETCQYMHSA-N	313.250	1.854	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)NC(C)(C)C)cc1OC	298623838	BCBKMGVVZJDQLX-UHFFFAOYSA-N	309.366	1.836	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H]2CC2(F)F)c1C	294407245	PUTAFQJXOKIKDJ-GHMZBOCLSA-N	312.316	1.873	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc2c1OCC(=O)N2	290186327	NYRFMJWICMGNMT-MRVPVSSYSA-N	306.322	1.216	50	20	DDGD	
C[C@](O)(CSc1cccc(F)c1)C(=O)NNc1cnccn1	803118836	GCEGUMFABGHOOQ-AWEZNQCLSA-N	322.365	1.602	50	20	DDGD	
Cc1[nH]nc(C(=O)NNC(=O)Nc2ccccc2)c1[N+](=O)[O-]	801990705	VHAUFNIUNJNBMQ-UHFFFAOYSA-N	304.266	1.093	50	20	DDGD	
CSc1ccc(NNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)cc1	295599450	HSUMCXBWLLSEHR-LEWSCRJBSA-N	308.403	1.903	50	20	DDGD	
CC(C)S(=O)(=O)CCNC(=O)/C(C#N)=C\c1ccc(O)cc1	291809274	CPSWEIXYUZNRIU-LCYFTJDESA-N	322.386	1.239	50	20	DDGD	
O=C(C=C1CCSCC1)NNc1ccc(-n2ccnc2)nn1	804957882	DBZAPFGWCVBNAV-UHFFFAOYSA-N	316.390	1.559	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@H]1C[C@H](c2ccccc2)OC1=O	811526042	PDAGQQLYFWDXBS-VXGBXAGGSA-N	315.304	1.968	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@H](O)c1ccc(Cl)cc1	813424898	YQSQHQRDRGDBIX-GFCCVEGCSA-N	323.736	1.497	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=Cc1ccc2oncc2c1	814873651	LMNJBJMEGOTSLT-UHFFFAOYSA-N	323.312	1.103	50	20	DDGD	
CC(=NNC(=O)C(=O)NC(C)C)[C@@H]1C[C@H](CC(=O)O)C1(C)C	814777461	WLYCKOKVDVSUKC-MNOVXSKESA-N	311.382	1.140	50	20	DDGD	
CC(C)OCCONC(=O)NN=c1sc2ccccc2n1C	812950394	IIXZERYEOISYEJ-UHFFFAOYSA-N	324.406	1.711	50	20	DDGD	
N#CCCC[C@H](N)C(=O)NNc1nc(-c2ccccc2)no1	818110264	KWQISKUGOANTOZ-NSHDSACASA-N	300.322	1.201	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2cc(Cl)ccc2O)CC1(F)F	817709322	PPAKHPCYNCBQDK-NSHDSACASA-N	304.680	1.852	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)C1CCC(OC[C@@H]2CCCO2)CC1	816011029	DXSPTODUYAKRRL-BCLQGDPASA-N	319.405	1.701	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=Cc1ccc(Cl)o1	814827136	WFZRNMATNOVMSG-UHFFFAOYSA-N	311.750	1.875	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H]1CCCN(Cc2cccnc2)C1	819126668	SXECPGSOMVFGML-HNNXBMFYSA-N	316.405	1.241	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1scnc1Cl	728071078	SNCPCINPVRGOTR-UHFFFAOYSA-N	322.737	1.998	50	20	DDGD	
Cc1cc(C)c(NNC(=O)c2ccc(-c3nn[nH]n3)nc2)c(C)c1	822194244	OVWYZVKZWYKPNM-UHFFFAOYSA-N	323.360	1.944	50	20	DDGD	
O=C(COc1ccccc1)NNc1nc(-c2cccnc2)no1	728075699	LHJCTKHVPVLECA-UHFFFAOYSA-N	311.301	1.654	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCc2n[nH]cc21	826446644	SQZMURREAQDAMP-LLVKDONJSA-N	324.348	1.153	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNc1cccc(F)c1C(=O)OC	822730567	AEIAVMJZFPUZOQ-UWVGGRQHSA-N	312.341	1.974	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC(C)(c2nc(C)no2)CC1	490842218	KSTAOGDHIKWDRV-BENRWUELSA-N	304.350	1.702	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1c[nH]c(C(F)(F)F)c1	825505040	AHUGGOWEMLTYJW-UHFFFAOYSA-N	303.162	1.747	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)/C=C\c1ccc(Cl)s1	491754610	YYSMAVZCSZNROJ-HYXAFXHYSA-N	310.766	1.907	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NN=C1CCN2CCC[C@@H]12	495207814	NSKPZFWIQSOZQX-LBPRGKRZSA-N	310.398	1.242	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H]1CCCCN(C)C1=O	821721095	WZTUSRXOTFTEIG-GFCCVEGCSA-N	319.361	1.175	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccncc2)c(C(C)C)n1	826799298	BTPHMVBRJDIFTI-UHFFFAOYSA-N	312.373	1.912	50	20	DDGD	
CCO[C@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)C(C)C	825575930	AIEAURMQYQYFDP-CYBMUJFWSA-N	318.381	1.761	50	20	DDGD	
Cc1c(C(=O)NN(C)[C@H](C)CO)[nH]c2c1C(=O)CC(C)(C)C2	823982547	AJKFOSDNWNOICF-SECBINFHSA-N	307.394	1.436	50	20	DDGD	
CNC(=O)NN=C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C	496266283	QVZMRFXOCBHTQL-SECBINFHSA-N	300.359	1.273	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)c2cccc(C#N)c2)c1C(F)F	728825514	FHNBDUHQMIFHPI-UHFFFAOYSA-N	319.271	1.304	50	20	DDGD	
CNC(=O)/C(C#N)=C\c1ccccc1OCC(=O)NCC1CC1	490665040	XPRQWXBDNPMRDE-ZSOIEALJSA-N	313.357	1.245	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NNc1ncncc1F	496488267	BQCOKWPPOPGGEV-SECBINFHSA-N	311.317	1.068	50	20	DDGD	
CCC(=NNC(=O)CNC(=O)OC(C)(C)C)c1ccc(F)cn1	495796235	ULMLLCPGSPJXOE-UHFFFAOYSA-N	324.356	1.976	50	20	DDGD	
CCn1cc(NC(=S)NNC(=O)Cc2ccccc2F)cn1	731321618	MLIQWMUUUGMOBF-UHFFFAOYSA-N	321.381	1.602	50	20	DDGD	
CCOc1ccc(NCc2ccc(B(O)O)cc2)cc1OC	585012424	XYRWLPLDHXPJEQ-UHFFFAOYSA-N	301.151	1.386	50	20	DDGD	
N#C/C(=C\c1ccccc1-c1nn[nH]n1)C(=O)N=c1cc[nH]cc1	826378994	GQKMUPSAVFGYQU-FMIVXFBMSA-N	317.312	1.229	50	20	DDGD	
O=C(/C=C\C1CCOCC1)NNC(=O)Cc1ccccc1F	491841765	DYNOCQGUBULGOU-WAYWQWQTSA-N	306.337	1.498	50	20	DDGD	
CC(C)(CCNC(=O)c1ccc(B(O)O)cc1)C(F)(F)F	584986675	JYLMVAXBXPCFPL-UHFFFAOYSA-N	303.089	1.075	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1	830816199	MJUWQFMQOGAQSO-CRALRDPISA-N	319.283	1.100	50	20	DDGD	
C[C@H]1Oc2ccccc2[C@@H]1NCc1ccc(B(O)O)cc1F	585041728	UJKHYKWXFVFDNY-QLJPJBMISA-N	301.126	1.117	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C1CCCC1)N(C)C(=O)OC(C)(C)C	496235641	SYDYVRJOFMEXMD-JTQLQIEISA-N	313.398	1.579	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)o1	585035725	YELNQMWUKQVQKU-UKRRQHHQSA-N	319.141	1.108	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)C1(C2CCCCC2)CC1	906781184	HDHJZFMSNYKIBM-UHFFFAOYSA-N	323.437	1.799	50	20	DDGD	
O=C(NNc1c(F)cccc1F)C1CCS(=O)(=O)CC1	735694079	CVDKQFJCIMXGSH-UHFFFAOYSA-N	304.318	1.233	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccsc1Cl	831575270	CZWKHFWZJHYDRR-UHFFFAOYSA-N	309.869	1.873	50	20	DDGD	
CC[C@@H](NNC(=O)C1CCOCC1)C(=O)Nc1ccc(C)cc1	905816390	QBFHPCHDDSRYJN-OAHLLOKOSA-N	319.405	1.760	50	20	DDGD	
CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NNC(=O)C1CCC1	732141777	VWUXGGQOQBTIMQ-GFCCVEGCSA-N	309.410	1.361	50	20	DDGD	
CCCCC[C@H](O)C(=O)NNc1ccc(C(=O)OC)cc1F	837205950	GYHLWAPNIDMKPM-ZDUSSCGKSA-N	312.341	1.997	50	20	DDGD	
O=C(C[C@@H]1OCCc2ccccc21)NNC(=O)[C@H]1CCCCO1	833250062	BLNMSSHJKVMVSX-CABCVRRESA-N	318.373	1.407	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@H]2CSC[C@@H]2C)cc1	836454585	VCOBMUNVBXIGJS-CABZTGNLSA-N	324.406	1.782	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H]1CCCC(=O)N1C	907966551	DAVBZSGANMJISC-LBPRGKRZSA-N	304.350	1.159	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NCC2(OC)CCC2)cc1	836389470	AGKOVZXZRLCQEF-UHFFFAOYSA-N	322.365	1.600	50	20	DDGD	
O=C(NN=Cc1cc(C(F)(F)F)ccc1F)C(=O)NC1CC1	733203260	ADTRXYXFSBAREU-UHFFFAOYSA-N	317.242	1.573	50	20	DDGD	
Cc1nc(COC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)no1	731548538	FKHHXYDGGYDMIT-UUILKARUSA-N	311.301	1.547	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc(O)cs1	731866437	NQYIVKFAKNGHHK-QMMMGPOBSA-N	324.333	1.821	50	20	DDGD	
CCc1ccnc(CNC(=O)NNC(=O)[C@@H]2CCCCO2)c1	838576988	WWKXPKRWOMJXRP-ZDUSSCGKSA-N	306.366	1.044	50	20	DDGD	
COc1cccc(F)c1[C@H](C)NCc1ccc(B(O)O)cc1F	585023479	LOTHIGNSHQWDKC-JTQLQIEISA-N	321.132	1.504	50	20	DDGD	
CC(C)Cn1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cn1	831505609	DTLOULHMQXRTAR-CMPLNLGQSA-N	309.370	1.117	50	20	DDGD	
CC(C)(C)n1ccnc1SCC(=O)NNC(=O)C1CCC1	732144510	ACDDDLVDXQXCOL-UHFFFAOYSA-N	310.423	1.678	50	20	DDGD	
O=C(NN=Cc1ccc(O)c(O)c1)c1cccc(-c2nn[nH]n2)c1	738128678	GSZVFAZMZRESFH-UHFFFAOYSA-N	324.300	1.042	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)COCc2ccccc2)cn1	737438657	CXTJLELYDVCDLY-UHFFFAOYSA-N	300.362	1.960	50	20	DDGD	
CCC(=NNC(=O)c1cnn(C)c1)c1ccc2c(c1)OCCO2	735413856	SLEHEOQBUYZROE-UHFFFAOYSA-N	314.345	1.735	50	20	DDGD	
CCO[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1cccc(C)n1	836438040	SYTTWYUGCWGCEO-TZMCWYRMSA-N	320.393	1.682	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCNc1ncnc2sccc12	912248938	FQDUHWRFSPDWSB-CSKARUKUSA-N	317.374	1.663	50	20	DDGD	
CCOC1CC(CC(=O)NNc2cc(O)nc3ncccc23)C1	913990322	GZBXAPOCFCMOLV-UHFFFAOYSA-N	316.361	1.984	50	20	DDGD	
C[C@H]1CCNC(=O)[C@H]1NS(=O)(=O)c1ccc(CCl)cc1	915226691	YRSSCTNMWDZCPO-CABZTGNLSA-N	316.810	1.228	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNc1ccc(F)c(C(=O)OC)c1	837039955	VQTLRGNCCGOFGX-UWVGGRQHSA-N	312.341	1.974	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(C(F)(F)F)CCC1	837944354	LHNKMAOZMSFOKB-ZETCQYMHSA-N	310.272	1.208	50	20	DDGD	
O=C(CCC1CCOCC1)NNc1cc(O)nc2ncccc12	913993070	PNKNLDJOOFARFU-UHFFFAOYSA-N	316.361	1.985	50	20	DDGD	
Cc1cccc(N2C[C@@H](C(=O)NN(C)C[C@@H](C)O)CC2=O)c1C	910176152	YWOGLPWJTJDJMF-OCCSQVGLSA-N	319.405	1.000	50	20	DDGD	
COc1cc(C(=O)NN(C)C[C@@H](C)O)ccc1OCC(C)C	910183048	NFKPYOVPTCLIDY-GFCCVEGCSA-N	310.394	1.687	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(-c2ccccc2)no1	843648175	WGQQZTMBLNNHFQ-CMPLNLGQSA-N	315.329	1.528	50	20	DDGD	
COC(=O)N1CC(NS(=O)(=O)c2ccc(CCl)cc2)C1	914268452	ANLSKZXDUSLEMZ-UHFFFAOYSA-N	318.782	1.154	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)Cc2ccccc2F)CCCNC1	841973427	UFIANFPDCKRILK-INIZCTEOSA-N	322.384	1.088	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NNC(=O)c1cccc(Cl)n1	912506212	FUCUSXILGUDSCJ-NXEZZACHSA-N	310.785	1.369	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCCc2cc(F)ccc21	747630816	UIRGKXPRADUXTN-UHFFFAOYSA-N	303.337	1.605	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cc(-c2ccco2)on1	914882110	VLUAKJQYAMIEHV-UHFFFAOYSA-N	308.363	1.842	50	20	DDGD	
CC(=NNC(=O)Cc1nc(C)cs1)c1cnc(C)nc1C	741462032	IHVLTMGSKRFTOE-UHFFFAOYSA-N	303.391	1.941	50	20	DDGD	
CN1CCN(S(=O)(=O)CC(C)(C)CCl)c2cccnc21	866924837	WSYRDQIESWPIGU-UHFFFAOYSA-N	317.842	1.933	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@H](C)c2cnn(C)c2)cc1	846373706	CAQUIPQLQOTJGS-LLVKDONJSA-N	316.361	1.382	50	20	DDGD	
Cc1n[nH]cc1CNC(=O)NNC(=O)c1c[nH]c2ccccc12	916578714	RGSZVFFNXVUAAZ-UHFFFAOYSA-N	312.333	1.344	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H](c1ccccc1F)N1CCOCC1	742477837	VLIXUJRZUOHISN-AWEZNQCLSA-N	323.368	1.002	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@@H]1COc2ccccc2C1	918365885	OMEPSYJAWWBBAJ-VIFPVBQESA-N	302.252	1.338	50	20	DDGD	
CC1(O)CCC(NC(=O)NNC(=O)c2ccccc2O)CC1	749594403	FXOQCJIROARTPU-UHFFFAOYSA-N	307.350	1.030	50	20	DDGD	
CC(=NNC(N)=O)c1ccc(S(=O)(=O)CC(F)(F)F)cc1	741758793	CESRQKKRYNQSGY-UHFFFAOYSA-N	323.296	1.415	50	20	DDGD	
NC[C@@H]1CC[C@@H](NC(=O)NNc2cc(F)c(F)c(F)c2)C1	842009332	AVUGULQLCPFTGV-HTQZYQBOSA-N	302.300	1.857	50	20	DDGD	
CC(=O)c1ccc(CC(=O)NNc2ncnc3[nH]cnc23)cc1	743470677	VHVUFOLRZQYWDC-UHFFFAOYSA-N	310.317	1.241	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NNC(=O)COc1cc(C)ccc1C	916092959	RPXAEOMSQVYYDK-JSGCOSHPSA-N	306.362	1.255	50	20	DDGD	
O=C(Cc1nc2ncccn2n1)NNc1ccc(F)cc1F	748291344	RVDNTTPPMNBOMQ-UHFFFAOYSA-N	304.260	1.088	50	20	DDGD	
CC(C)COc1ncccc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843649720	WUCCAKDSCIIAAV-RYUDHWBXSA-N	321.377	1.302	50	20	DDGD	
Cc1cc(OCC(=O)NNC(=O)Nc2ccccc2C)no1	918693033	SIIRAGIUASFBJZ-UHFFFAOYSA-N	304.306	1.523	50	20	DDGD	
CC(C)[C@H](N)CNC(=O)NNC(=O)C(C)(C)c1ccccc1	841944201	CVLZHFZZRWOABE-CYBMUJFWSA-N	306.410	1.278	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCCn2ccnc2)cc1	748607111	NEXFUDOCADNJCD-UHFFFAOYSA-N	300.362	1.687	50	20	DDGD	
C[C@H](Cc1cnc[nH]1)C(=O)NNC(=O)c1cc2c(s1)CCC2	847288122	UYGHSGSZDGZXKH-SECBINFHSA-N	318.402	1.600	50	20	DDGD	
CCN1CCC(=NNC(=O)c2cc([N+](=O)[O-])ccc2O)[C@@H](C)C1	741774222	XPHTWNMDTYKBIG-JTQLQIEISA-N	320.349	1.748	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2O)n[nH]1	747513917	RUHJWHDKIPBRSX-UHFFFAOYSA-N	322.752	1.796	50	20	DDGD	
CN(CC(=O)NNc1ccc(OC(F)F)cc1)C(=O)C1CC1	748638228	XBQUBZONSHZLCO-UHFFFAOYSA-N	313.304	1.600	50	20	DDGD	
O=C(NCCN1CCNCC1)NNc1c(F)cccc1Cl	841921601	VEJMPRUFPYUDJA-UHFFFAOYSA-N	315.780	1.010	50	20	DDGD	
Cc1ccncc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	742037625	ZLZGCLVZEWIRIA-LLVKDONJSA-N	317.320	1.758	50	20	DDGD	
COc1ccc(OCC(=O)NNc2cc(Cl)nc(C)n2)cc1	748336011	ROLRYFPFQDWJLS-UHFFFAOYSA-N	322.752	1.969	50	20	DDGD	
O=C(NNc1ccc(F)cc1Br)N[C@@H]1CCNC1	841938737	HOCARUCAOAIZRU-MRVPVSSYSA-N	317.162	1.576	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H](C)CCCN)cc1F	841999850	PKJANACWUDYWBZ-VIFPVBQESA-N	312.345	1.366	50	20	DDGD	
C[C@H](CCN)NC(=O)NNC(=O)c1c(Cl)cccc1Cl	841967649	PJIHJOQGTPZQPV-SSDOTTSWSA-N	319.192	1.675	50	20	DDGD	
C[C@@H]1CN(Cc2ccccn2)CCC1=NNC(=O)c1ncccn1	841663850	ASACLPTXFYPESB-CYBMUJFWSA-N	324.388	1.499	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccc(CC(=O)O)cc1	842553227	GCVHRSICCVANRG-BXUZGUMPSA-N	304.346	1.579	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cccc(C(=O)N(C)C)c1	929490898	RJCXUZINTGETTG-UHFFFAOYSA-N	316.361	1.345	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCN1CC[C@H](C)C1	746332750	FJYUJULTJSTZCD-NSHDSACASA-N	312.845	1.810	50	20	DDGD	
C[C@@H]1CCN(C(=O)NNC(=O)c2ncccn2)CC12CCC2	841591859	HKRBROIKNUPUFB-LLVKDONJSA-N	303.366	1.343	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1nnn(C(C)(C)C)n1	853293350	XXACJECXWGRBOR-UHFFFAOYSA-N	316.365	1.130	50	20	DDGD	
COCCCNC(=O)NN=Cc1cccc(OCCOC)c1	920830263	UQBBERBOVACXSR-UHFFFAOYSA-N	309.366	1.381	50	20	DDGD	
C/C(=C/C(=O)NNC(=S)NCC1CCC1)c1cnccn1	855092873	SBMRPJZSQKLKKP-YFHOEESVSA-N	305.407	1.175	50	20	DDGD	
C=CCCOCC(=O)NNC(=O)COc1ccc(C)c(C)c1	920474301	ZXBCSTMIDLVCDN-UHFFFAOYSA-N	306.362	1.422	50	20	DDGD	
CNC(=S)N(C)NC(=O)CC(C)(C)NC(=O)OC(C)(C)C	854923576	APZDMILTDUGPGZ-UHFFFAOYSA-N	318.443	1.147	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NC[C@]2(C)C[C@@H]2Br)C1	857392524	DUFGUUXBRRUFGF-KWBADKCTSA-N	317.227	1.535	50	20	DDGD	
CC(CN1Cc2ccccc2C1=O)=NNC(=O)Cc1cccnc1	754945147	WKFOTQXYFVBDRL-UHFFFAOYSA-N	322.368	1.772	50	20	DDGD	
CCCCO[C@H](C)C(=O)NN(C)C(=S)NCCCOC	854280957	KTFUEDQLNAJCFX-LLVKDONJSA-N	305.444	1.066	50	20	DDGD	
O=C(Cc1ccc(Br)cc1F)NNC(=O)C1CC1	854180038	HENZDPYRRZWUEC-UHFFFAOYSA-N	315.142	1.688	50	20	DDGD	
C[C@@H](C[S@](C)=O)NC(=O)NNc1ccc(Cl)cc1F	921925047	OWEUOFXHLVFLMZ-IIYDVTGLSA-N	307.778	1.872	50	20	DDGD	
CCC(=NNC(=O)COc1ccc(OC)cc1)c1ccn(C)n1	758074868	VJPVIYXBBSOHSG-UHFFFAOYSA-N	316.361	1.738	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCc2nnc(C)s2)c1	858353813	MLERZWHHLGEHDK-UHFFFAOYSA-N	311.392	1.361	50	20	DDGD	
CCOc1ccc(C=NNC(=O)C(=O)N2CCCC2)c(C)c1	853298645	ZGHQSVSQEITAJJ-UHFFFAOYSA-N	303.362	1.466	50	20	DDGD	
Cc1nc(SCC(=O)NC[C@]2(C)C[C@H]2Br)n[nH]1	857396521	DBUMACUMFRLPOJ-XCBNKYQSSA-N	319.228	1.495	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C	856379450	FJYFHPRONMNTCA-OCUQMRJBSA-N	311.382	1.802	50	20	DDGD	
CCCC[C@@H](C)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855832470	CWWVOYZXXRAMGZ-GFCCVEGCSA-N	313.442	1.903	50	20	DDGD	
O=C(NNc1ccc(F)cn1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2	754129164	RPCNYSZTSWRQLJ-CYZMBNFOSA-N	306.341	1.804	50	20	DDGD	
CC[C@@H]1CC(=NNC(=O)COc2ccccc2C#N)CCO1	756822712	AIONNQNDEBYQMA-CQSZACIVSA-N	301.346	1.998	50	20	DDGD	
Cc1ccc(O)c(C=NNC(=O)Cc2cc(O)nc(S)n2)c1	755618618	MXNKAJJKHGTCRR-UHFFFAOYSA-N	318.358	1.178	50	20	DDGD	
CNC[C@H](C)NC(=O)NNC(=O)c1ccc(Cl)cc1Cl	851680673	KIAYBYVHMFAZIK-ZETCQYMHSA-N	319.192	1.545	50	20	DDGD	
CC(=O)Nc1ccc(NC(=O)NNC(=O)c2ccc[nH]2)cc1C	755636789	YMOMOYWJGWHIBP-UHFFFAOYSA-N	315.333	1.748	50	20	DDGD	
CC[C@H](C)[C@H](CNC(=O)NNC(=O)c1cccc(F)n1)OC	852365307	SNRJWGGOACQJGM-ONGXEEELSA-N	312.345	1.226	50	20	DDGD	
Cn1nncc1NNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-]	857270865	RLLVXZIPBQTDEG-UHFFFAOYSA-N	304.310	1.144	50	20	DDGD	
CSC(C)(C)C(=O)NNC(=O)COc1ccc(C)c(C)c1	854191888	WEACWELTMJUPSO-UHFFFAOYSA-N	310.419	1.971	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@H](C2CC2)C1)c1cccc(F)n1	852710180	LCMDSLNFFKUSJF-NSHDSACASA-N	306.341	1.697	50	20	DDGD	
CCCOc1ccc(CCC(=O)NN(C)C(=S)NC)cc1	854924404	IYGOIULHLXBUDA-UHFFFAOYSA-N	309.435	1.875	50	20	DDGD	
O=C(NN=C1CCN(c2cnccn2)CC1)OCC(F)(F)F	853430589	LCYFMYLJLMKJLU-UHFFFAOYSA-N	317.271	1.721	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccnc(OC2CCCCC2)c1	854923076	YRVICXDSEPMLGX-UHFFFAOYSA-N	322.434	1.874	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1cc(C)oc1C	758388241	XWCLVQHLTKPNFV-UHFFFAOYSA-N	300.318	1.770	50	20	DDGD	
CCc1cccc(C(=O)NN(C)C(=S)NCCCOC)n1	854286505	RGZCRKFXYJINHV-UHFFFAOYSA-N	310.423	1.132	50	20	DDGD	
C#C[C@@H](CC)NC(=O)NNC(=O)CSc1ccccc1OC	854074627	RKASEGWTENZTMT-NSHDSACASA-N	321.402	1.530	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NC[C@@H](C)CN1CCOCC1	853771229	ONBAMIPOSYCDJG-GFCCVEGCSA-N	324.400	1.729	50	20	DDGD	
C=C(C)CCNC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	852370224	SQCVPCAUPDKJEU-UHFFFAOYSA-N	312.414	1.226	50	20	DDGD	
Nc1ncccc1C=NNC(=O)c1nn(-c2ccccc2)cc1O	764663778	YEGJYTHOVAFMTH-UHFFFAOYSA-N	322.328	1.319	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)OCC(=O)NCCC#N	766746825	JHHLCOUDCBFHQC-VIFPVBQESA-N	305.172	1.369	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)[C@@H]1CCC(=O)N1)CCC2	863148967	NWKSCPIYPJSCBD-AWEZNQCLSA-N	301.346	1.130	50	20	DDGD	
O=C(NN=Cc1cncc(Br)c1)c1cnccn1	767354951	ASGISNAGWIXAEY-UHFFFAOYSA-N	306.123	1.398	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cnc(F)cc1C	867162172	GMNPCRIWLDBDRV-UHFFFAOYSA-N	302.400	1.001	50	20	DDGD	
CNC(=O)C1(NS(=O)(=O)CC(C)(C)CCl)CCCC1	866700249	UUOSOHMUIRSBKQ-UHFFFAOYSA-N	310.847	1.230	50	20	DDGD	
CC[C@](C)(NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)C(F)(F)F	933508182	FXDTTYBCPHQDKP-FYBVGQRMSA-N	311.304	1.473	50	20	DDGD	
CNc1ccc(NC(=O)C(=O)NNC(=O)CC2CCCC2)cc1	861498570	CDVACXDBGAIUKH-UHFFFAOYSA-N	318.377	1.395	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)c(C)nn1	767193421	LJVOEROJOVWJLE-UHFFFAOYSA-N	318.764	1.751	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)CC)cc1C	764084757	WFCWAYGPIOZGMK-SNVBAGLBSA-N	305.378	1.689	50	20	DDGD	
O=C(NN=Cc1ccc(F)cc1Cl)[C@@H]1CCS(=O)(=O)C1	767761110	HTGCLGDDTTXLAW-SECBINFHSA-N	318.757	1.364	50	20	DDGD	
COc1cc(F)c(C(C)=NNC(=O)c2cnn(C)c2)cc1OC	760259257	SQGCWGCKYKCOCG-UHFFFAOYSA-N	320.324	1.730	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@H]2CC23CCC3)c1	760122079	XEWYRJLYXYRHHQ-CYBMUJFWSA-N	303.362	1.445	50	20	DDGD	
O=C(CCC(=O)c1ccc(Cl)cn1)NN=c1cc[nH]cc1	769619465	IMAVMNJNTWQBNU-UHFFFAOYSA-N	304.737	1.658	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)n1	862520808	CNIHWLAMGMQLAX-JTQLQIEISA-N	318.299	1.536	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)/C=C/c1cccnc1	766671025	YOPFBNYTWMJKHC-CMDGGOBGSA-N	317.370	1.642	50	20	DDGD	
Cc1ccc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)cn1	764895670	HSXFQNGQYKKOGX-UHFFFAOYSA-N	307.317	1.130	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNC(=O)c1ccc(Cl)cc1F	866319870	CRJOIUVHZVLTPO-NSHDSACASA-N	315.732	1.155	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2cnn(Cc3ccccc3)c2)n[nH]1	764794057	YTEKJGXPYYRMDY-UHFFFAOYSA-N	308.345	1.727	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ncc(Cl)s1	1116869503	CDZNLWGPOBSCBO-UHFFFAOYSA-N	311.750	1.880	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNc2nccnc2OC)c1	764484907	PYYVYINHRWBFOJ-UHFFFAOYSA-N	302.290	1.029	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)C2(O)CCCC2)c1	874946892	ZWKJHNYICXDYDW-UHFFFAOYSA-N	311.382	1.757	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)N[C@H]1C[C@@H](C(=O)O)C1	874415649	VBIXYYJNIJYJLV-OLQVQODUSA-N	303.240	1.593	50	20	DDGD	
Cn1ccc(NC(=O)NNC(=O)CSc2ccccc2O)n1	763951564	VZYJVBOKIAFOCK-UHFFFAOYSA-N	321.362	1.071	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NC[C@@H]1C[C@H]2C=C[C@H]1C2	1119989355	PGIURPIHSHQYAE-UBHSHLNASA-N	300.362	1.167	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CCSC(F)(F)F	772022771	WFZPIAUZYPIQKX-LURJTMIESA-N	316.301	1.119	50	20	DDGD	
CSC[C@H](C)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	772112413	ZUKBYQQYGVIAPI-VHSXEESVSA-N	304.412	1.111	50	20	DDGD	
CCCN1C[C@H](C(=O)NNC(=O)c2ccccc2Cl)CC1=O	1117941809	MKHNRYRURRDARM-SNVBAGLBSA-N	323.780	1.360	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C(C)C)cc1	771881341	GKJVUKOXTHDJGJ-LLVKDONJSA-N	306.362	1.913	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)c3cccc4c3CCC4)nc21	770979164	DLIPUNOFQVWBSJ-UHFFFAOYSA-N	324.344	1.315	50	20	DDGD	
CC(C)(O)CN1CCC(NC[C@@]2(C)C[C@H]2Br)CC1	877646659	KKHUULUWGXDWKS-TZMCWYRMSA-N	319.287	1.985	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(N2CCCC2=O)cc1	878021106	WSVAXHGZAJHGLJ-UHFFFAOYSA-N	306.366	1.428	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)n1	875421179	LVYBYPNDGJRQRS-BNOWGMLFSA-N	302.378	1.974	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2cnccc2N(C)C)c1	776182673	CNYTXYAWGMJXLE-UHFFFAOYSA-N	312.373	1.985	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cc(OCC(F)F)ccn1	777943577	XQZKDXIQJQNMLD-UHFFFAOYSA-N	313.304	1.677	50	20	DDGD	
C[C@H](NCC(=O)NNC(=O)C(C)(C)C)c1ccc(C#N)cc1	775164176	VXUYVNKMDYJTPQ-NSHDSACASA-N	302.378	1.402	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C1CCSCC1	772112598	FAXYQYMGNBTBSX-JTQLQIEISA-N	316.423	1.255	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(N)cc1Cl	772042221	MLKBOMAYBLZWRS-SSDOTTSWSA-N	313.741	1.025	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1nsc2ccccc12	880019826	XBSRUIFVOMYOJZ-IUCAKERBSA-N	320.374	1.874	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(N(C)C(=O)CC)cc1	881046397	BGXMPLCBRLDDNB-UHFFFAOYSA-N	322.365	1.249	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cccc(-n2cccc2)c1	883060379	JUHYCPJCNJWGPS-UHFFFAOYSA-N	313.357	1.665	50	20	DDGD	
CCc1nnc(O)c(C(=O)NNc2ccc(Cl)nn2)c1CC	771018979	YZOQHJLUVAHODD-UHFFFAOYSA-N	322.756	1.507	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@H]2CCC=CO2)c1C	777840872	OXSCBJKRTKYKFC-DZGCQCFKSA-N	318.373	1.911	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H]2CCC[C@H](C(N)=O)C2)n1	788001391	NEAOUCFZDLDREW-IUCAKERBSA-N	311.773	1.173	50	20	DDGD	
O=C(NNc1cccnn1)C(=O)Nc1ccc(Cl)c(F)c1	784863051	UNNGLSPGSSAEEA-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](C)NC(=O)C1CCCCC1	887141729	GRICGOLGEXQIPZ-GFCCVEGCSA-N	307.394	1.022	50	20	DDGD	
N#Cc1cccc([C@@H]2C[C@H]2C(=O)NNC(=O)C2CCOCC2)c1	883071728	LGGITRHQAMUDQM-LSDHHAIUSA-N	313.357	1.236	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=CCC2CCOCC2)cc1	788702325	RTBIGTUYSKSLSR-UHFFFAOYSA-N	303.362	1.852	50	20	DDGD	
O=C(NNc1ncncc1Cl)Nc1cnn(CC(F)F)c1	782049426	CXVQYFTWRRKQGN-UHFFFAOYSA-N	317.687	1.740	50	20	DDGD	
Cn1nnc(CNC(=O)CCCC[C@H]2CCSS2)n1	785574277	HPYZHBQEOIHWBH-VIFPVBQESA-N	301.441	1.540	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H]1CS(=O)(=O)c2ccccc21	882008611	WKAPHKODBDJWCN-SNVBAGLBSA-N	323.823	1.063	50	20	DDGD	
C=Cc1ccc(C(=O)NNc2ccccc2S(N)(=O)=O)cc1	788223096	FKYSJFRJNIJCSR-UHFFFAOYSA-N	317.370	1.734	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=S)NC2(C)CC2)cc1	789161415	IBOMULVKQMZZOL-UHFFFAOYSA-N	308.407	1.155	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1cn(Cc2ccccc2)nn1	899336203	QBQBCJPNQBNJCW-ZROIWOOFSA-N	312.329	1.423	50	20	DDGD	
COCC(=NNC(=O)C(C)(C)O)c1cccc(C(F)(F)F)c1	785457814	HSWWJRMMYNKDHW-UHFFFAOYSA-N	318.295	1.943	50	20	DDGD	
COCc1cc(C=NNC(=O)[C@H](C)Oc2ccccc2F)no1	794879832	MYNSGIMQWANOJR-JTQLQIEISA-N	321.308	1.878	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCC(F)(F)CC2)cc1	796540493	JWCGPEDIGPKAQR-UHFFFAOYSA-N	311.332	1.487	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCCc1ccccc1S(C)(=O)=O	899235203	BKXFIGFCQNBUBS-ACCUITESSA-N	322.386	1.193	50	20	DDGD	
COc1ccc(NNC(=O)c2cccc(O)c2O)c([N+](=O)[O-])c1	790895331	RBUMXENKCMYVSD-UHFFFAOYSA-N	319.273	1.772	50	20	DDGD	
CCn1nc(C=NNC(=O)N2CCN(C)CC2)c2ccccc21	790173423	FSHRGMUNGYMONG-UHFFFAOYSA-N	314.393	1.347	50	20	DDGD	
C=C[C@H](NNC(=O)c1ccc(OCC)c(OC)c1)C(=O)OC	799975170	HMYNDWPULIEMQB-NSHDSACASA-N	308.334	1.056	50	20	DDGD	
CCC[C@@H](CCCS(C)(=O)=O)C(=O)NNc1ccccn1	790014311	UFABBDSWQFYLRS-LBPRGKRZSA-N	313.423	1.766	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)Cn1ccc2ccccc21	793438971	HPXQAUYHNSDUSN-MLGOLLRUSA-N	317.389	1.850	50	20	DDGD	
NC(=O)C(=O)NN=C1CCCc2cc(Br)ccc21	794459464	KDDGGEOGKDLHIB-UHFFFAOYSA-N	310.151	1.091	50	20	DDGD	
CN(C)C(=O)c1ccnc(NC(=O)NNc2ccc(C#N)cc2)c1	794272145	WEMKHIFUROLVMR-UHFFFAOYSA-N	324.344	1.804	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1cnn(C(C)(C)C)c1C	790182678	YKXJJGMUEWKEDL-UHFFFAOYSA-N	320.441	1.628	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2ccnn2-c2ccccc2C)n[nH]1	794489765	CPSVEPWKJUJGOT-UHFFFAOYSA-N	322.372	1.905	50	20	DDGD	
CC(C)=CCCNC(=O)NNC(=O)COc1ccccc1O	790517919	XXQQESMEANYGOS-UHFFFAOYSA-N	307.350	1.458	50	20	DDGD	
COC(=O)[C@H](C)n1cccc1C=NNC(=O)c1cccc(C)n1	794568774	UBDCVVVXMTWFPA-LBPRGKRZSA-N	314.345	1.689	50	20	DDGD	
Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NNC(=O)c1ccccc1	791293186	WXYAJZVDLRSGCM-UHFFFAOYSA-N	318.264	1.391	50	20	DDGD	
C=C(CBr)COC(=O)[C@@H]1CCCN(C(N)=O)C1	795370720	HMHNOXCXWIAMRR-SECBINFHSA-N	305.172	1.271	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc(=O)n(C)c3ccccc23)n1	1317863459	JPEWLKZGPKQQQK-UHFFFAOYSA-N	323.356	1.702	50	20	DDGD	
C[C@@H](Cn1cccn1)NC(=O)NNc1ccc(C(C)(C)C)nn1	1321938039	YETVGQRVYAGCBO-NSHDSACASA-N	317.397	1.685	50	20	DDGD	
C[C@@H]1CCCCN1C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1328546845	FKPQLQJRRONYAS-NRUUGDAUSA-N	317.227	1.677	50	20	DDGD	
O=C(C[C@H]1C=CS(=O)(=O)C1)NNc1nccnc1C1CCC1	1323338137	ZWCFPTBFPGRVEZ-SNVBAGLBSA-N	322.390	1.136	50	20	DDGD	
COc1cc(C(=O)NNC(=O)Cc2ccccc2F)ccn1	1321639373	AZDPHPACJVTNBW-UHFFFAOYSA-N	303.293	1.233	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@H]1c2ccccc2CCC[C@H]1C	1321192909	LWAQNJGRYAVKEM-ZWNOBZJWSA-N	319.361	1.204	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1ccccn1)c1ccccc1Cl	1321170103	OFAPBJLBFDDVDD-LBPRGKRZSA-N	305.721	1.230	50	20	DDGD	
CNC(=O)Cc1ccccc1NC(=O)NNc1cccc(C#N)c1	1329987041	HAFHMNTXLQXBPJ-UHFFFAOYSA-N	323.356	1.995	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCSC1)c1n[nH]c2c1CCCC2	1323918823	UFZQHULLUZNECO-SECBINFHSA-N	308.407	1.193	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2O)nn1C	1320102088	RNXWPYAEXUWZKF-UHFFFAOYSA-N	322.752	1.416	50	20	DDGD	
O=C(NNc1ncncc1F)c1nnc(O)c2ccccc12	1324305560	YBRVGMKYFXHYMY-UHFFFAOYSA-N	300.253	1.021	50	20	DDGD	
COC(=O)[C@H]1C[C@H](O)CN(C(=O)c2cccc(CCl)c2)C1	1336534923	DHPGRPSGDNMPSM-STQMWFEESA-N	311.765	1.421	50	20	DDGD	
O=C(NNc1cccc(F)c1)C(=O)Nc1noc2c1CCCC2	1338041566	AXCBEQGKIIUCTA-UHFFFAOYSA-N	318.308	1.774	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc(-c2cnn(C)c2)cc1	1339670830	RIMRUXDLGRYMAG-DHDCSXOGSA-N	310.357	1.757	50	20	DDGD	
CC(C)(C)c1ccc(NC(=O)NNC(=O)CC(F)(F)F)nn1	1337798254	FMVYWUHWMQBDQR-UHFFFAOYSA-N	319.287	1.879	50	20	DDGD	
O=C(NNc1cc(F)cc(Cl)c1)[C@@H]1OC[C@@H]2COCC[C@@H]21	1347190116	BVYYXQVDWCZFQP-AQUOVQTQSA-N	314.744	1.974	50	20	DDGD	
Cn1ccnc1CCC(=O)NNC(=O)C(C)(C)c1ccccc1	1346420648	BLPVYHQPRZWSRE-UHFFFAOYSA-N	314.389	1.478	50	20	DDGD	
CCSc1ccc(Cl)cc1NC(=O)NNC(=O)CCO	1342575162	ZDDCCMUVDSCSSA-UHFFFAOYSA-N	317.798	1.987	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(C(C)C)nn1CC	1342860324	JMRPLPYXRSHJLW-SNVBAGLBSA-N	324.381	1.129	50	20	DDGD	
CC(C)NC(=S)NNC(=O)Cc1nn(C)c2ccccc12	1345235269	MXPNPHGQDDBCNT-UHFFFAOYSA-N	305.407	1.020	50	20	DDGD	
COC1(OC)CC(CNC(=O)NNC(=O)OC(C)(C)C)C1	1346563314	RFXVDCXFBVKHHF-UHFFFAOYSA-N	303.359	1.124	50	20	DDGD	
COc1cccc(NNC(=O)NCc2cccc3c2OCC3)n1	1354621044	DUVZRZFPCBJTQX-UHFFFAOYSA-N	314.345	1.851	50	20	DDGD	
CC(=O)NC1CCC(C(=O)NN(C)C(=O)OC(C)(C)C)CC1	1352292023	KQBPZYRFSWTBDI-UHFFFAOYSA-N	313.398	1.579	50	20	DDGD	
COc1cc(F)c(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(F)c1	1521452350	JNBNYMOPSLTGDS-IONNQARKSA-N	314.288	1.159	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1cccc(C(=O)O)c1F	1606494823	NAFGAASPFIFDJV-UHFFFAOYSA-N	313.285	1.103	50	20	DDGD	
Cc1oc(C(=O)O)cc1C(=O)NNc1ccc([N+](=O)[O-])cc1	1600827362	HMZOZRJUERWSPV-UHFFFAOYSA-N	305.246	1.951	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccoc2CC(=O)O)o1	1604012383	ONJVSTYOWZRPMD-UHFFFAOYSA-N	318.289	1.647	50	20	DDGD	
Cc1cccc(NNC(=O)c2cccc(OCC(=O)O)c2)n1	1605345104	VVEGDJFREPESJE-UHFFFAOYSA-N	301.302	1.610	50	20	DDGD	
C[C@@]1(COC(=O)Cn2cc(C(=O)O)cn2)C[C@H]1Br	1604582760	KPUXFOATWNCTOP-KCJUWKMLSA-N	317.139	1.298	50	20	DDGD	
Cc1occc1C(=O)NCC(=O)NNc1ccccc1C(=O)O	1608055551	IVTVCVNPJPXBLQ-UHFFFAOYSA-N	317.301	1.159	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNC(=O)c2cc3ccccc3o2)[nH]1	1608875154	SJZTYCKFMCRBIY-UHFFFAOYSA-N	313.269	1.534	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2cnc(C(=O)O)cn2)nn1	1602923266	RPHACIPGDIDPIZ-UHFFFAOYSA-N	316.321	1.019	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)N[C@H]1C[C@H]2C[C@@H](C(=O)O)C[C@@H]12	1608481845	SLAGCJPBIJTYIM-OYBPUVFXSA-N	324.768	1.860	50	20	DDGD	
Cc1cc(C=NNC(=O)NCCc2cccs2)[nH]c1C(=O)O	1600185143	INTBCCADSMWAPX-UHFFFAOYSA-N	320.374	1.959	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2c(C)coc2CC(=O)O)o1	1610484991	UIGOTMNQVLHQOK-UHFFFAOYSA-N	306.274	1.191	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@H]1C(=O)NN=CCC(F)(F)F	1549315020	KGTHJMBKIVFNNH-ZJUUUORDSA-N	318.299	1.942	50	20	DDGD	
O=C(O)Cc1occc1C(=O)NNC(=O)c1ccccc1F	1610799122	YYGBBTIHRYRADR-UHFFFAOYSA-N	306.249	1.121	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1ccc([N+](=O)[O-])o1	1610288145	WYUHBJJEPACKMQ-UHFFFAOYSA-N	321.245	1.652	50	20	DDGD	
CC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@@H]1F	1801497655	SHAWMSFOXDMUPR-FRTGSEIKSA-N	316.804	2.000	50	20	DDGD	
CCn1ccnc1[C@H]1OCC[C@H]1C=NNC(=O)c1cccn1C	1552757499	FQFXGVGVZWVWDD-JSGCOSHPSA-N	315.377	1.735	50	20	DDGD	
Cn1cc([C@H]2OCCC[C@H]2C=NNC(=O)c2cccnn2)cn1	1552928141	WRGYLEDHCCJGJH-FZMZJTMJSA-N	314.349	1.094	50	20	DDGD	
COCCN(CC(C)C)NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2N1	1579026166	OOFOOLMMOFISOP-XHSDSOJGSA-N	311.470	1.933	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2NCC23CCCC3)c1C	1578877576	CFFUPULCMNPRQC-CQSZACIVSA-N	317.389	1.757	50	20	DDGD	
N[C@H]1CC[C@@H](C(=O)NNc2cccc3c2OC(F)(F)O3)CC1	1580414898	FQWFADVWMGVWBQ-DTORHVGOSA-N	313.304	1.969	50	20	DDGD	
O=C(NNc1cccc2c1OC(F)(F)O2)[C@]12C[C@H]1CCCN2	1580740113	WQKOJJPKWXSJEQ-OQPBUACISA-N	311.288	1.593	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H](C)OC)C1	1846404764	RVUVJVHIQMGZPL-WDEREUQCSA-N	302.802	1.242	50	20	DDGD	
CC(C)(C)[C@@H](C(=O)O)C(=O)NNc1nc(O)c2ccccc2n1	1588632913	AVMQTWSMCFJPAE-SNVBAGLBSA-N	318.333	1.525	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)C(C)C)C1	1841422153	FQBSUIOSMBIHPV-RYUDHWBXSA-N	316.829	1.224	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)[C@@H](F)Cl)C2)O1	1843364168	VKCFDNGJPOQNJQ-GMTAPVOTSA-N	318.776	1.292	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)[C@@H]2CCCOC2)C1	1847030210	INELBHAOVVVAFY-MNOVXSKESA-N	318.776	1.151	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)c1ccc(-c2nn[nH]n2)nc1	1593161164	MAJBKUFJXCLCTE-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2cccc(C(=O)O)c2)c[nH]1	1598919692	IGUSXVHJXWHHKO-UHFFFAOYSA-N	303.274	1.256	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NNc1cccc(C(=O)O)c1F	1594126981	UROAMRUCVJPQDA-RKDXNWHRSA-N	308.309	1.972	50	20	DDGD	
COCCN(CC(C)C)NC(=O)Nc1cc(C(=O)O)n(C)c1	1599234865	IHBFMRZSKBHMJK-UHFFFAOYSA-N	312.370	1.364	50	20	DDGD	
Cn1nc(C(=O)O)cc1C=NNC(=O)c1cc(Cl)ccc1O	1776027163	CTDPYDLLAGGEAC-UHFFFAOYSA-N	322.708	1.241	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=Cc1ccc(O[C@H](C)C(=O)O)cc1	1776102284	LSDTZRQFUVSAJZ-DDTOSNHZSA-N	320.345	1.414	50	20	DDGD	
O=C(O)/C=C\c1ccc(C=NNC(=O)c2cccc(F)n2)o1	1776094012	WPLXLGAEUFNHBM-NAPBQUNGSA-N	303.249	1.675	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc(NC(N)=O)cc1	12747943	OBMVRKYBILXWJS-UHFFFAOYSA-N	309.395	1.085	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)COc1ccccc1[N+](=O)[O-]	17398459	FSKGWXUBNGFDCB-UHFFFAOYSA-N	311.294	1.530	50	20	DDGD	
CO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)Cc1ccccc1C	150967921	HCKHGVDXWMWVJO-ZIAGYGMSSA-N	305.378	1.435	50	20	DDGD	
CCOCCC1(CNC(=O)NNc2nc(C)cc(C)n2)CC1	161750246	OHIUGZRNRZQSQY-UHFFFAOYSA-N	307.398	1.926	50	20	DDGD	
COC(=O)NNC(=O)CCCc1nc(-c2ccc(F)cc2)no1	158955890	PSSRQWVQDVSLRT-UHFFFAOYSA-N	322.296	1.586	50	20	DDGD	
CN1CC[C@@H](NC(=O)NNc2ccc(OC(F)F)cc2)C1=O	163879361	NGDZQHMJOABHEL-SNVBAGLBSA-N	314.292	1.145	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)N2CCSCC2)s1	151724713	VZIPDKSJGWVLBY-SNVBAGLBSA-N	313.448	1.255	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=O)NCC(F)(F)F)cn1	153430871	CIDRZKNLSQQQQK-UHFFFAOYSA-N	304.272	1.711	50	20	DDGD	
CC(C)[C@H](C)CC(=O)NNc1nccc(N2CCOCC2)n1	155538861	FPYRFDLTISVLLE-GFCCVEGCSA-N	307.398	1.439	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@H](C)CN2CCCC2)nc1	157501578	LLVKWMWHURBBHV-LBPRGKRZSA-N	307.398	1.448	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C(C1CC1)C1CC1	156201663	YEPMFHQKCOGJLW-UHFFFAOYSA-N	317.389	1.691	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	154961343	INLBPRNJJOSONB-LBPRGKRZSA-N	321.352	1.727	50	20	DDGD	
O=C(O)c1cc(S(=O)(=O)NCC(Cl)Cl)cs1	309337588	UPIAKLLPILFPGP-UHFFFAOYSA-N	304.176	1.528	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1cccc(C(F)(F)F)c1	106417459	IROIUIIUMXAWQF-UHFFFAOYSA-N	312.251	1.432	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccc(C)n1C	55355016	SIFWRJDFAWUZEI-UHFFFAOYSA-N	301.346	1.346	50	20	DDGD	
C[C@@H]1CCC[C@@H](CNC(=O)NNC(=O)Cc2cccnc2)C1	103518776	IXTCVDWZQUTYJC-CHWSQXEVSA-N	304.394	1.781	50	20	DDGD	
O=C(NCCc1ccc2c(c1)CCO2)NNC(=O)c1ccc[nH]1	172077685	KHQWFGWVJLHZLQ-UHFFFAOYSA-N	314.345	1.136	50	20	DDGD	
CC(C)N(C)CCNC(=O)NNC(=O)CCc1ccccc1	102060565	JYERUMXEMCHRSX-UHFFFAOYSA-N	306.410	1.290	50	20	DDGD	
CC(C)N(C)CC(=O)NNC(=O)c1cccc2cccnc12	64663228	ZOTPIZRQJMXTSP-UHFFFAOYSA-N	300.362	1.336	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc2[nH]c(C)c(C)c2c1	65207966	UZHMFUUAGUBWCJ-UHFFFAOYSA-N	318.377	1.765	50	20	DDGD	
NC(=O)NCc1ccc(C(=O)NNc2nccnc2Cl)cc1	172288585	RSHYKTSJGCXSDX-UHFFFAOYSA-N	320.740	1.055	50	20	DDGD	
CC[C@@H](C)N(C)CCNC(=O)NNC(=O)c1ccccc1O	171079171	KOFWLWKJBVEOJC-LLVKDONJSA-N	308.382	1.067	50	20	DDGD	
CCCCN1CCCC[C@@H]1CNC(=O)NNc1ncccn1	66704656	QUZMQZJMWBIPLK-CYBMUJFWSA-N	306.414	1.757	50	20	DDGD	
CSc1ccsc1C(=O)NNC(=O)Cc1ccncc1	175791359	SKAIGEKYKOJWRN-UHFFFAOYSA-N	307.400	1.869	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C2CCOCC2)c(C)c1	60781604	UNBNFYTZCLIZDI-UHFFFAOYSA-N	305.378	1.289	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCc2c(F)cc(F)cc2C1	120499266	XIIFKZHMTVXEBZ-SECBINFHSA-N	311.332	1.269	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2c(C)ccn2C)cc1	189592735	RRSRUXPFMZBBIF-UHFFFAOYSA-N	300.362	1.515	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNC(=O)c1cccc(N(C)C)c1	129080085	OTERTSFXMKVGHP-LBPRGKRZSA-N	308.382	1.122	50	20	DDGD	
COCc1ccccc1NC(=O)NNC(=O)Cc1ccncc1	183837575	KQSUYTVPJKXQJS-UHFFFAOYSA-N	314.345	1.623	50	20	DDGD	
N#C/C(=C/c1cn(Cc2cccnc2)nn1)C(=O)N1CCCC1	181391624	STLGZBMEPFLURV-ZSOIEALJSA-N	308.345	1.251	50	20	DDGD	
Cc1cccc2c(=O)n(CCC(=O)NNc3ncccn3)cnc12	124037217	JONSQHYRKLIVBV-UHFFFAOYSA-N	324.344	1.028	50	20	DDGD	
O=C(NCc1ccc(OCC2CC2)nc1)NNc1cccnn1	77350959	PVXULAMPWFPEDX-UHFFFAOYSA-N	314.349	1.487	50	20	DDGD	
CCCN(C)C[C@H]1CCN(S(=O)(=O)CCCCCl)C1	184442974	BIQARYJHFVZICM-CYBMUJFWSA-N	310.891	1.999	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNc2cccc(OC)n2)cc1	181519465	MMQDCEJITVTKOM-UHFFFAOYSA-N	314.345	1.734	50	20	DDGD	
CN(C)N(C(=O)C[C@H]1C=CCCC1)[C@H]1CCS(=O)(=O)C1	186248619	DMJYRNMNJQRZAJ-STQMWFEESA-N	300.424	1.225	50	20	DDGD	
CCCc1cc(NC(=O)C(=O)NNc2ccccc2)n(C)n1	185208373	XRESXSPPQAZFRX-UHFFFAOYSA-N	301.350	1.454	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)C1=NN(C)C(=O)CC1	181308895	FWMAPCJWGRIGSM-UHFFFAOYSA-N	311.345	1.595	50	20	DDGD	
C[C@H](C[S@@](C)=O)NC(=O)NNc1ccc(OC(F)F)cc1	182603996	IRPAXKMERHHVKC-IJSAXESFSA-N	321.349	1.681	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccc(Cl)nc1	77248466	OWYKSPDVIQRJMX-UHFFFAOYSA-N	319.748	1.747	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	133274359	USGXEKSGNIGRIO-WDEREUQCSA-N	312.341	1.556	50	20	DDGD	
Cc1cnccc1NC(=O)NNC(=O)Cc1ccc(F)cc1	183448815	UTHSUTANXKQKIN-UHFFFAOYSA-N	302.309	1.925	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)c2ccc(C#N)cc2)cc(O)n1	180989094	SEVRPZPSNWHGGR-UHFFFAOYSA-N	324.340	1.857	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1c(F)cc(F)cc1F	48835415	JRJQKBJJJHHDND-LURJTMIESA-N	310.297	1.460	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C2(C#N)CCC2)cc1C	134484739	BWPDHIRFGMIOIU-UHFFFAOYSA-N	301.346	1.524	50	20	DDGD	
O=C(NNC(=O)c1cnc([C@@H]2CCCO2)s1)c1ccc[nH]1	89605230	QBSCGQYQQSIZKO-VIFPVBQESA-N	306.347	1.398	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)c2ccc(Cl)cc2F)cn1	81029017	GQCLPFOZDYHKPJ-UHFFFAOYSA-N	308.700	1.652	50	20	DDGD	
Cc1cn2c(/C=C(\C#N)S(=O)(=O)N(C)C)c(C)nc2s1	195319883	DFLZMSQOACUIMR-BJMVGYQFSA-N	310.404	1.769	50	20	DDGD	
Cc1cccnc1C(F)(F)C(=O)NNC(=O)c1ccncc1	193885846	QBENOIOGCVJLFF-UHFFFAOYSA-N	306.272	1.338	50	20	DDGD	
COc1cccc(C2=NO[C@@H](C(=O)NNc3ccccn3)C2)c1	194545943	ZNHIRXMTIXTHIO-CQSZACIVSA-N	312.329	1.727	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@@H](CO)CC(C)C)cc(C#N)n1C	255302068	CPXNNELEBONARO-HWIKDYBBSA-N	314.389	1.635	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1cccc(N2CCCNC2=O)c1	269472959	LXWIJGNUWFTWRV-VAWYXSNFSA-N	314.345	1.989	50	20	DDGD	
CCOCCCCNC(=O)NNC(=O)COCc1ccccc1	265661788	CSHCCRAKZGRABJ-UHFFFAOYSA-N	323.393	1.350	50	20	DDGD	
O=C(C[C@H]1CSCCS1)NNC(=O)NCc1ccco1	269738098	YOQYPBDFLNMCBD-JTQLQIEISA-N	315.420	1.349	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccn(C)c2)c1C	268621950	VEMYOSOWNYDDJR-CYBMUJFWSA-N	315.373	1.870	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	363540579	YJHJHHKXUUTLBU-FOGDFJRCSA-N	321.402	1.580	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1ccnc(Cl)c1	364088564	NVSYNKCAPYJRJA-UHFFFAOYSA-N	316.708	1.937	50	20	DDGD	
CC(C)Cn1ncc(C(=O)NNc2cccnn2)c1C1CC1	271091266	WEUBEXKWZHXAPR-UHFFFAOYSA-N	300.366	1.963	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1COc2ccccc21	276624566	VIKWMMNJCWPHKP-GFCCVEGCSA-N	322.361	1.099	50	20	DDGD	
CN1CCOc2ccc(C(=O)NNC(=O)OC(C)(C)C)cc21	366821800	RSBKXXZDNJYYSW-UHFFFAOYSA-N	307.350	1.685	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(Cl)c(OC)c1	270256021	HAFUDHNLYWQYSD-UHFFFAOYSA-N	315.757	1.329	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1cc(F)c(F)cc1F	274143475	JZMHYPZBAKSHJF-UHFFFAOYSA-N	317.267	1.236	50	20	DDGD	
COC(C)(C)CC(=O)NNC(=O)Nc1cc(F)cc(F)c1	283811333	XJFVUJGTPWYSQG-UHFFFAOYSA-N	301.293	1.933	50	20	DDGD	
CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1ccccc1C	285210390	WPGZJKKSCCWRIY-CQSZACIVSA-N	303.362	1.157	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNC(=O)CSc1ccccc1OC	285838162	PALBIEDHBVNZAG-OAHLLOKOSA-N	321.402	1.875	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C[C@H]2CCC(=O)[C@H]2C)cc1	280062891	SWKUXNQXMHNVEN-QWHCGFSZSA-N	317.389	1.560	50	20	DDGD	
CN(CCNC(=O)NNc1cccc(F)n1)Cc1ccccc1	286996167	TUFKAQNORJLMBT-UHFFFAOYSA-N	317.368	1.979	50	20	DDGD	
CCC1(C(=O)NNc2ccc(-n3ccnc3)nn2)CCOCC1	286500218	DICCXFSTBJXJDB-UHFFFAOYSA-N	316.365	1.312	50	20	DDGD	
CCC[C@@H](C)CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	299508787	MDBBMYWHZTYMHO-RISCZKNCSA-N	306.362	1.800	50	20	DDGD	
Cc1cnccc1C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802101285	KHEWNOPMYSVFRH-UHFFFAOYSA-N	314.301	1.585	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CCC(C)(C)[N+](=O)[O-])cc1	295464970	RCEUJBDDXYFGSK-UHFFFAOYSA-N	322.365	1.390	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)CC2CC2)c(OC)c1	294275809	VDTIWHVUMCQMDX-SOFGYWHQSA-N	304.346	1.665	50	20	DDGD	
C[C@H]1CC(=O)CC[C@H]1C(=O)NNc1ccc(-n2ccnc2)nn1	804956968	JYRKZTCSDOQWGC-CMPLNLGQSA-N	314.349	1.111	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(F)cc2[N+](=O)[O-])O1	294247451	NUUUNUDETUCOSF-CPCISQLKSA-N	311.269	1.062	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)NCc1ccc(Cl)cc1	295300184	UWTFTIFCGIHPIQ-GFCCVEGCSA-N	313.785	1.986	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)c1cccc(N(C)C)c1)C1CC1	296905375	NINDTJWEROJHLD-CQSZACIVSA-N	320.393	1.122	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2cc(Cl)ccc2O)CCC1	806355338	RXDBLGDJJBUXAY-UHFFFAOYSA-N	312.753	1.623	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	294286302	HRCIEUWFIFJAQC-AWEZNQCLSA-N	316.361	1.653	50	20	DDGD	
O=C(NN=Cc1cc(F)ncc1F)[C@@H]1COc2ccccc2O1	807945185	GXDOARXGWVXEIS-ZDUSSCGKSA-N	319.267	1.650	50	20	DDGD	
CN(C)C(=O)NNC(=O)COc1ccccc1C(F)(F)F	299328943	BKDKNCQRLUEKTG-UHFFFAOYSA-N	305.256	1.387	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1cc2c([nH]1)CCCC2	294630390	FYKPPAQDWWTLMN-UHFFFAOYSA-N	302.334	1.631	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cc(OC)c2c(c1)OCO2	298817230	REQZAFXZYPHNDF-WZUFQYTHSA-N	304.302	1.093	50	20	DDGD	
C=CCC(C)(C)C(=O)NNc1nc2ccccc2c(=O)n1C	294883124	UVMVBZZWNCHFHD-UHFFFAOYSA-N	300.362	1.979	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1ccc(OCC(C)C)cc1	296153873	UDAKULDBSNGPKM-UHFFFAOYSA-N	316.379	1.613	50	20	DDGD	
O=C(NNc1ncccc1F)N[C@@H]1CCN(CC(F)(F)F)C1	805183133	AHCIUFDBFLEWJC-MRVPVSSYSA-N	321.278	1.483	50	20	DDGD	
O=C(NCCN1CCCOCC1)NNc1ccc(Cl)nc1	297221443	FVKOLNGDIIZTHQ-UHFFFAOYSA-N	313.789	1.083	50	20	DDGD	
COc1ccc([C@@H](C)CC(=O)NNC(=O)[C@H]2CCCCO2)cc1	295581425	OIHBJKCERVAGLU-SWLSCSKDSA-N	320.389	1.905	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@]2(C#N)CC23CCCC3)cc1	294837219	XYCJHKZMGWUMCY-QGZVFWFLSA-N	308.341	1.793	50	20	DDGD	
C[C@@H]1CCCN(c2cc(C(=O)NNc3ccncn3)ccn2)C1	295438348	KBUQTOJRUWJEKF-GFCCVEGCSA-N	312.377	1.865	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc(NC(=O)C(C)(C)C)nc1	294432326	MGCCQMXGJIQAJH-UHFFFAOYSA-N	320.393	1.873	50	20	DDGD	
CSc1cc(C(=O)NNC(=O)N=c2cc[nH]cc2)ccc1F	802025229	XGBRMSDDHJJRQU-UHFFFAOYSA-N	320.349	1.831	50	20	DDGD	
CC(CCc1ccccc1[N+](=O)[O-])=NNC(=O)Cc1cc[nH]n1	814956910	HNHLFIVEIJXCPN-UHFFFAOYSA-N	315.333	1.985	50	20	DDGD	
Cc1csc(CC(=O)NN=C2CC[C@H](C(=O)O)C[C@@H]2C)n1	814779852	SOPAHCJEDPWCMJ-WPRPVWTQSA-N	309.391	1.987	50	20	DDGD	
CN1CC[C@@H](CNC(=O)[C@@H](Br)C(C)(C)C)CC1=O	819619109	BUZVZJGVHNQIHD-MWLCHTKSSA-N	319.243	1.781	50	20	DDGD	
COCC[C@H](Cc1ccco1)NC(=O)NNc1ncncc1F	814318348	KTEMBZGCESKOGU-SNVBAGLBSA-N	323.328	1.483	50	20	DDGD	
O=C(Cn1nnc(-c2ccccc2)n1)NN=CCC(F)(F)F	817322250	PGCMCPVPQHYLII-UHFFFAOYSA-N	312.255	1.395	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2c[nH]c3ccccc23)on1	814699904	UAFVXDJHGNBQQU-UHFFFAOYSA-N	312.285	1.706	50	20	DDGD	
CC(=O)NNC(=O)c1ccccc1OCCN1CCCC[C@H]1C	729510051	PSXOYPQKQJQYMM-CYBMUJFWSA-N	319.405	1.721	50	20	DDGD	
CC(C)C(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1	820011820	QSHFDKYWNDPWOS-UHFFFAOYSA-N	314.271	1.985	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	822200449	IJEYJJFRCPJOLZ-CYBMUJFWSA-N	310.350	1.280	50	20	DDGD	
C[C@H]1OC(=O)N[C@@H]1C(=O)NNc1cc(C(F)(F)F)ccc1F	496243659	GRHXUWAAUPDVCZ-ANLVUFKYSA-N	321.230	1.785	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(OC)c(Br)c1	491418112	MRTZKNJWXLODPT-UHFFFAOYSA-N	318.127	1.850	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NCCN2CCO[C@@H](C)C2)c(C)c1	726258683	YEVRKTWGERKTPC-HNNXBMFYSA-N	320.437	1.959	50	20	DDGD	
CCOc1ccc(Cl)c(NC(=O)C(=O)NNC(=O)OC)c1	497033693	ISUWAJZSWAVINM-UHFFFAOYSA-N	315.713	1.064	50	20	DDGD	
CC(C)[C@@H](NC(=O)O)C(=O)NNC(=O)c1cc2ccccc2o1	824135412	FLCMXCVGXSPRPR-GFCCVEGCSA-N	319.317	1.486	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](COC(=N)O)Cc1ccccc1	490971023	IGZYIJPBIMOYNG-QLKUMGTLSA-N	317.345	1.667	50	20	DDGD	
Cc1c(C(=O)NN=c2sc3ccccc3n2C)cnn1C	821703355	BRWVPIXWJSEQJT-UHFFFAOYSA-N	301.375	1.527	50	20	DDGD	
CSCCNC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	726278409	FGBOCLQHHFYZGU-SECBINFHSA-N	315.370	1.286	50	20	DDGD	
CCNC(=O)c1cccc(NC(=O)NNC(=O)OC(C)(C)C)c1	495362805	RDOJTWQYFUSVMX-UHFFFAOYSA-N	322.365	1.998	50	20	DDGD	
C[C@@]1(C(=O)N2CCc3nc(N)ncc3C2)C[C@H]1Br	827590521	ZAGNWYZWFJYVLM-BXKDBHETSA-N	311.183	1.117	50	20	DDGD	
COC(=O)N(C)CC(=O)NNc1ncnc(Cl)c1C(C)C	497209705	MGSPPKBSUODAOR-UHFFFAOYSA-N	315.761	1.395	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc(O[C@H](C)CC)cc1	495409192	XJHKJWNXGTVQJY-SNVBAGLBSA-N	323.349	1.580	50	20	DDGD	
Cc1ccc(SC[C@H](C)NCc2ccc(B(O)O)o2)cc1	585036611	MLHUEVXFUNEDJD-LBPRGKRZSA-N	305.208	1.538	50	20	DDGD	
CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)NCB(O)O	585062277	FCHKSKHBXIHZGQ-UHFFFAOYSA-N	303.089	1.402	50	20	DDGD	
C[C@@H](C=NNC(=O)Cc1cc[nH]n1)CNC(=O)OC(C)(C)C	496696742	AOJJMXMZBCSEEQ-SNVBAGLBSA-N	309.370	1.215	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCC[C@@]1(O)C[C@H]2CC[C@H]1C2	496906384	FPPWMYDBEVCCOJ-ZIBATOQPSA-N	313.398	1.667	50	20	DDGD	
O=S(=O)(CCl)NC[C@@H]1CCN(c2ccc(F)cc2)C1	820787810	KWVWRJBRFNTSNJ-JTQLQIEISA-N	306.790	1.768	50	20	DDGD	
CN1CCCC(C)(C)[C@@H]1CNC(=O)/C(C#N)=C/c1cnn(C)c1	491006531	DPBJIZTXQVKKMW-NHXNDTTKSA-N	315.421	1.564	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccnc(-c2ccco2)c1	823475012	NEPQXXDDXMWLCP-CMPLNLGQSA-N	315.329	1.528	50	20	DDGD	
C=CCNC(=S)NNC(=O)/C=C\c1ccc(O)c(OCC)c1	492333550	XIGSVCXOFKHBTC-VURMDHGXSA-N	321.402	1.485	50	20	DDGD	
CCCCC[C@@H](O)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	822222039	RBRQPZBHRQAZPK-CYBMUJFWSA-N	321.377	1.022	50	20	DDGD	
O=C(NN=C1CCC[C@@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)C1	732527910	ACLFMBIZOPQNQP-ZIAGYGMSSA-N	320.414	1.861	50	20	DDGD	
CC(C)(C)[C@@H](NC(=O)c1cccc(B(O)O)c1)c1ccccc1	584932210	PZWFWJVVRMFWIT-INIZCTEOSA-N	311.190	1.884	50	20	DDGD	
CC(C)CN(C(=O)c1cc(B(O)O)ccc1F)C1CCCC1	584936760	MYMTYBOUFFNENO-UHFFFAOYSA-N	307.174	1.546	50	20	DDGD	
CC(C)(C)OC(=O)N1CC=C(C(=O)NNc2ncccn2)CC1	495757305	ZCANXEMWVRKXAU-UHFFFAOYSA-N	319.365	1.487	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1C[C@H](c2ccccc2)[C@@H](C(N)=O)C1	491173516	CWYZUXSSDQXLMM-ZDZFUCEFSA-N	313.357	1.158	50	20	DDGD	
CC(C)Oc1ccc(CCCNCc2ccc(B(O)O)o2)cc1	585020147	YZYPZOCNNLEVMJ-UHFFFAOYSA-N	317.194	1.469	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1nc2ccc(Cl)cc2n1C	833384251	FWILPWVOOUPQED-UHFFFAOYSA-N	323.740	1.335	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nn2ccnn2)c1C	908840004	XHTJZIWLPBNTJU-NTEUORMPSA-N	314.349	1.020	50	20	DDGD	
O=C(O)[C@H](NS(=O)(=O)c1ccc(CCCl)cc1)C1CC1	833169561	VHNZDFVWYYFIQD-GFCCVEGCSA-N	317.794	1.609	50	20	DDGD	
CN(C)c1ccc(C(=O)O)cc1C=NNC(=O)CC(F)(F)F	901170172	JSCAKJBWJYWXHD-UHFFFAOYSA-N	317.267	1.853	50	20	DDGD	
CN(CCc1cnccn1)C(=O)/C(C#N)=C/c1ccc(O)cc1	491046904	HUKREDJWVALJJB-GXDHUFHOSA-N	308.341	1.790	50	20	DDGD	
CC1CCC(N2C[C@@H](C(=O)NNC(=O)C3CCC3)CC2=O)CC1	732142188	UYTUZRSTEXFHOY-QRMWWUJWSA-N	321.421	1.361	50	20	DDGD	
CC/C(C)=C/C(=O)OCC(=O)NNC(=O)Cc1ccccc1C	838043254	WFBVJGDRCGLLGK-FMIVXFBMSA-N	318.373	1.584	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)Cc2ccccc2F)o1	731317182	WONHCJSMCWRLIY-UHFFFAOYSA-N	304.277	1.898	50	20	DDGD	
CC(C)N1CCN(C(=O)[C@@]2(C)C[C@H]2Br)CC1=O	907271055	VANQVUXJFZSLJP-SKDRFNHKSA-N	303.200	1.239	50	20	DDGD	
CC(C)CNC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1cnn(C)c1	837970224	ZWCOZTWWZKTIDE-MYMMUUHESA-N	304.350	1.031	50	20	DDGD	
C[C@@H](O)C[C@@H](CNCc1cccc(B(O)O)c1)c1ccccc1	585029484	ZNMCABMLGXNWPW-PBHICJAKSA-N	313.206	1.011	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCN1C1CCCC1)[C@H]1CCCCO1	833243378	RFFXTAQMRKKKIE-HUUCEWRRSA-N	323.437	1.500	50	20	DDGD	
CC[C@@H](C#N)Oc1cccc(CNC(=O)NNC(=O)C(C)C)c1	733804522	GDDLDBRNWUABMU-ZDUSSCGKSA-N	318.377	1.854	50	20	DDGD	
Cn1ccnc1[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H]2Br)C1	907133374	RRAQJZBBBCGTSZ-GBIKHYSHSA-N	312.211	1.910	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNC(=O)Nc1ccccc1	908049540	HRXWAUYSBTYXCM-QMTHXVAHSA-N	313.361	1.929	50	20	DDGD	
Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(B(O)O)cc2)n1	584963411	UFQWCRVEVISHEZ-INIZCTEOSA-N	310.162	1.047	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNc1cccc(C(=O)OC)c1F	837060299	AHTTWTPOVGAUNM-SKDRFNHKSA-N	308.309	1.647	50	20	DDGD	
O=C(NNC(=O)c1cccc2cccnc12)NOCC1CC1	838603625	AOACDVKGXMZUBK-UHFFFAOYSA-N	300.318	1.520	50	20	DDGD	
O=C(NCCn1cccn1)NNC(=O)c1cc2c(s1)CCC2	734279339	DCBYQXKRTSXTEC-UHFFFAOYSA-N	319.390	1.078	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)C[C@H]1CCOC1	739497476	PZUQZCACHHPFDK-CYBMUJFWSA-N	312.369	1.956	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C(CC(F)(F)F)c1ccccc1	915955816	JYMPEHGJURJBCO-UHFFFAOYSA-N	315.295	1.984	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	733110893	XGOIVAFTASJDCS-KBPBESRZSA-N	314.345	1.058	50	20	DDGD	
CC(=O)N1CCC[C@@H](C(=O)NNc2cccc(C(=O)O)c2)C1	833390749	BHZMFKJLONPJLB-GFCCVEGCSA-N	305.334	1.086	50	20	DDGD	
C=C(C)CCNC(=O)NNC(=O)c1cc(Br)c[nH]1	836194003	PBZQIZHKDJTVRX-UHFFFAOYSA-N	315.171	1.687	50	20	DDGD	
CC/C=C/CNC(=O)NNC(=O)Cc1cn2ccccc2n1	836574408	XTPSBMCCGCGPBR-HWKANZROSA-N	301.350	1.173	50	20	DDGD	
CC1=NO[C@@H](C(=O)Nc2cccc(NC(=O)NN(C)C)c2)C1	834663539	RNVZUTTUKQIYIN-GFCCVEGCSA-N	305.338	1.388	50	20	DDGD	
C[C@H](N)C[C@@H](C)NC(=O)NNC(=O)c1c[nH]c2ccccc12	831197623	SJZZONPDQFPGCD-VHSXEESVSA-N	303.366	1.238	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)CCNC(N)=O	749288863	CCXVDMZHXSCQFD-UHFFFAOYSA-N	315.171	1.259	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1)c1ccco1	916370686	DSPDKNGNXJRKQP-RWMBFGLXSA-N	307.394	1.865	50	20	DDGD	
CC(C)[C@@H]1CCCC1=NNC(=O)CNC(=O)c1cccnc1	747765600	DTBWBZDPXUSRHY-ZDUSSCGKSA-N	302.378	1.740	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNc2ncnc3[nH]cnc23)cc1	743471165	TUUDNMOSMBTMGD-UHFFFAOYSA-N	312.333	1.897	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2ccc(O)c([N+](=O)[O-])c2)cs1	916317436	PHNAWFUDYZUNIN-UHFFFAOYSA-N	320.330	1.758	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC2(CC1)CC2(F)F	844408602	SURQYNXRJZNGPZ-NSHDSACASA-N	317.380	1.690	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc([N+](=O)[O-])c1)[C@H]1CCCNC1	841929839	XIVIDRACHSDFSY-MNOVXSKESA-N	307.354	1.609	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@](C)(O)C2CC2)cc1	841375195	BHFVGWSFBAFEQZ-OAHLLOKOSA-N	323.418	1.564	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)[C@H]1CCc2ncncc2C1	844138824	YOWKPEGRWHKVAP-JTQLQIEISA-N	308.345	1.601	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@@H]1CCn2ccnc2C1	749259425	WVOYINNQRZBUJI-SECBINFHSA-N	314.374	1.594	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C2[C@H]3CCC[C@H]23)c1	748839197	VZIQKMSYBSFBHE-STQMWFEESA-N	304.346	1.511	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1	841438088	GDRRELIMAOIMIX-GHMZBOCLSA-N	314.407	1.598	50	20	DDGD	
CCOCC(=O)NN=Cc1ccc(OC(=O)CC)c(OCC)c1	841625048	YUKALPMCJUESQV-UHFFFAOYSA-N	322.361	1.887	50	20	DDGD	
COc1cccc(O[C@@H](C)CNC(=O)NNC(=O)C(C)C)c1	743674368	VYBSHBLHYRIVRM-NSHDSACASA-N	309.366	1.449	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1ncc(C2OCCO2)s1	842558085	FSQHDGVDVXTSDI-DTWKUNHWSA-N	311.363	1.064	50	20	DDGD	
O=C(NCCO[C@H]1CCOC1)NNc1cc(F)cc(Cl)c1	927526123	NGXKRCHFACLBAU-LBPRGKRZSA-N	317.748	1.911	50	20	DDGD	
Cn1nncc1NNC(=O)C1CCC(OC[C@@H]2CCCO2)CC1	857270696	LGMAEGMXMZJBBS-BPCQOVAHSA-N	323.397	1.013	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)c1cccn2c(O)nnc12	758161339	BZOXERDOJNJQJF-UHFFFAOYSA-N	321.300	1.135	50	20	DDGD	
CCSc1ccccc1CC(=O)NNC(=O)C1CCOCC1	923054116	IXGMBUBMFHNWFO-UHFFFAOYSA-N	322.430	1.915	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)Cc1nnn(C(C)(C)C)n1	855371185	USELOBYMBDJVBA-UHFFFAOYSA-N	306.345	1.561	50	20	DDGD	
COCCS(=O)(=O)CC(=O)NNc1ccc(Cl)c(C)c1	928342426	XDQBVEWFHZZNGI-UHFFFAOYSA-N	320.798	1.153	50	20	DDGD	
Cc1ccc(C(=O)NNC(=S)NC[C@@H]2CCCCO2)c(O)c1	758202257	DQPKILFRAGBFQL-NSHDSACASA-N	323.418	1.379	50	20	DDGD	
CO[C@@]1(C)C[C@H]1NC(=O)NNC(=O)c1cccc2ccccc12	852141251	DSSIWFAAQFWYFE-PBHICJAKSA-N	313.357	1.961	50	20	DDGD	
C=C[C@H](CO)NC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	851917168	VALGZZHHZLYAPE-MWLCHTKSSA-N	323.418	1.364	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)CNC(=O)c1cccs1)C1CC1	751211978	NPAWOPMWFYVXIN-SECBINFHSA-N	309.391	1.062	50	20	DDGD	
C[C@H]1CC(F)(F)CCN1C(=O)NNC(=O)c1cccc(F)n1	858624436	HCVNBKFSSYOULI-QMMMGPOBSA-N	316.283	1.695	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC(CCO)CC2)C[C@@H]1Br	856957054	YVFAELZAEKNOPA-WCQYABFASA-N	319.243	1.964	50	20	DDGD	
Cc1noc(CNC(=O)NC[C@]2(C)C[C@@H]2Br)n1	856838412	GVDGFVSBTMALGW-XVKPBYJWSA-N	303.160	1.351	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=S)N[C@@H](C)C2CC2)nn1C	855101172	RIQVINCEROJYCA-VIFPVBQESA-N	309.439	1.451	50	20	DDGD	
Cn1cc(-c2ncccc2C(=O)NNC(=O)OC(C)(C)C)cn1	854162349	DWNCJDXVFAABFH-UHFFFAOYSA-N	317.349	1.652	50	20	DDGD	
C[C@]1(CNC(=O)c2cn3cccnc3n2)C[C@@H]1Br	857400365	UUFUQKYDAIMGSZ-JOYOIKCWSA-N	309.167	1.633	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1cc(C(F)(F)F)nn1C	853001346	PMDOWYJOZBDOAJ-YVMONPNESA-N	303.240	1.535	50	20	DDGD	
C[C@H]1C[C@H](C)CC[C@H]1NC(=O)NNC(=O)c1cccc(F)n1	852109153	WPJJSZLPILAFQO-OUAUKWLOSA-N	308.357	1.989	50	20	DDGD	
CCC(CC)(CNC(=O)NNc1ncc(Cl)cn1)OC	856908029	GMNJRFUPQUBSTG-UHFFFAOYSA-N	301.778	1.961	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN[C@@H](Cc1ccccc1)C1CC1	754200853	PKZMTPXPBJPGPG-HNNXBMFYSA-N	317.433	1.791	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NC[C@H]2CCN(C(C)(C)C)C2)cn1	855161732	CMGYOGSYOPPWHD-QVYJARAXSA-N	315.421	1.564	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CCO[C@H](C)C2)c1C	853946838	OFIPQCRGFUCGSQ-PWSUYJOCSA-N	321.377	1.975	50	20	DDGD	
CCOc1ccc(C(=O)NN=Cc2[nH]cnc2C)cc1OC	755567463	XYXAZTCSCKIHBG-UHFFFAOYSA-N	302.334	1.889	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cccc(-c2nc(C)co2)c1	757671687	OXVAWPXHDCAXGI-UHFFFAOYSA-N	304.306	1.449	50	20	DDGD	
C=CCC1(C(=O)NN(C)C(=S)NCCCOC)CCCC1	854286236	NWWITTSVSBGHKC-UHFFFAOYSA-N	313.467	1.997	50	20	DDGD	
COc1ccc(NNC(=O)c2ccnnc2C)c([N+](=O)[O-])c1	753297453	HXNOHNXKEOBPDN-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
CNC(=S)N(C)NC(=O)CSc1nc2ccccc2o1	854929270	DDDXTNARFBSCNY-UHFFFAOYSA-N	310.404	1.387	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC1	855098480	IDVAWEIRFMEFRK-SSDOTTSWSA-N	324.362	1.208	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=O)NC2CC2)cc1Cl	930721879	OPILTKSHHKWASV-UHFFFAOYSA-N	310.741	1.405	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)c1	858707135	KWJYUVIBQOHKIG-WRWGMCAJSA-N	319.386	1.296	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)NCCc2cccs2)n(C)n1	753013934	CIKYSEGXNYKLEW-UHFFFAOYSA-N	323.447	1.142	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2ccc3c(c2)OCO3)o1	752250758	JSKYPTVULXUJIN-UHFFFAOYSA-N	317.301	1.461	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc3c(s2)CCNC3)n1	852781868	WKALLDNVZJUIHM-UHFFFAOYSA-N	303.391	1.558	50	20	DDGD	
C[C@@H]1CCCN(C(=O)C(=O)NC[C@]2(C)C[C@@H]2Br)C1	857093001	PAOHATKJMWIXII-NRUUGDAUSA-N	317.227	1.535	50	20	DDGD	
C[C@H](NNC(=O)CCCNC(=O)c1ccccc1)C(F)(F)F	862305684	STASSQMVCPTJKM-JTQLQIEISA-N	317.311	1.768	50	20	DDGD	
COCC(=O)NN=C(C)c1ccc(OC)c(Br)c1	761820317	USOBGFWVKHBYKA-UHFFFAOYSA-N	315.167	1.944	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H](C)C1CCNCC1	868005861	ZQCLHYXDNVXHRG-SNVBAGLBSA-N	312.845	1.857	50	20	DDGD	
CC1(C)C(=O)Nc2ccc(C(=O)NNC(=O)C3CCC3)cc21	769076314	GIUFAEAIUBYQQS-UHFFFAOYSA-N	301.346	1.477	50	20	DDGD	
O=C(NNc1cnccn1)c1ccc(CN2CCCCC2)o1	935454009	LHCVMQWIWAHNKN-UHFFFAOYSA-N	301.350	1.812	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccccc1SC(F)F	763512246	NUEHNBKJHAHYJA-UHFFFAOYSA-N	303.290	1.107	50	20	DDGD	
CCOCn1nc(C)c(CC(=O)NNc2ccccn2)c1C	867242886	PARNZTNNOMMNLU-UHFFFAOYSA-N	303.366	1.575	50	20	DDGD	
COCCCn1cc(C(=O)NNC(=O)Nc2ccccc2)cn1	861566462	WKFZDZIWVDNTEP-UHFFFAOYSA-N	317.349	1.386	50	20	DDGD	
CC(=O)CCCCCCc1nc(-c2cccc(B(O)O)c2)no1	863892764	IDFSXHPFOWFZAK-UHFFFAOYSA-N	316.166	1.498	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(NC(=O)OC)cc1C	935291843	ZZJUQJPOUCOKGL-UHFFFAOYSA-N	308.338	1.479	50	20	DDGD	
CCOC(=O)c1[nH]c(C)c(C(=O)NN[C@H](C)C(F)(F)F)c1C	862304751	RXRABIAAWYNSQQ-MRVPVSSYSA-N	321.299	1.993	50	20	DDGD	
COc1cc(OC)cc(S(=O)(=O)NCC(Cl)Cl)c1	867469967	FTGQKLBFYXOCPD-UHFFFAOYSA-N	314.190	1.786	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1coc2cc(C)c(C)cc12	869907259	GGEWNGFUMUGJBA-UHFFFAOYSA-N	320.345	1.474	50	20	DDGD	
CC(C)(C)Sc1cc(C(=O)NNC(=O)c2cn[nH]c2)ccn1	862471077	QBZGWHPUYXYGJN-UHFFFAOYSA-N	319.390	1.770	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ncccc1F)CC1(C)OCCO1	868858473	HGBQELUPOUBJBI-SNVBAGLBSA-N	312.345	1.636	50	20	DDGD	
COc1ccc(OCC(=O)NNc2nccnc2OC)cc1	764470200	WPTCCZXGRYRYQW-UHFFFAOYSA-N	304.306	1.016	50	20	DDGD	
CN(N=Cc1cn(-c2cccc(Cl)c2Cl)nn1)C(N)=O	767908539	SGZXGISIWKMMRB-UHFFFAOYSA-N	313.148	1.919	50	20	DDGD	
O=C(NN=C1CCN2CCC[C@@H]12)Nc1ccc(C(=O)O)cc1	765581439	PLJZTUVBLGNCPW-ZDUSSCGKSA-N	302.334	1.730	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1nc2ccccc2s1	874914355	UAUUXSRHCICVLB-KKZNHRDASA-N	317.370	1.625	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c(Br)c1)NC1CCCC1	1116069116	XZGAYHIBVJOGKW-UHFFFAOYSA-N	315.171	1.664	50	20	DDGD	
CN(C)c1ccc2c(c1)N(C)C(=O)C2=NNC(=O)c1ccccn1	761724524	YGWNBILLFXAJJX-UHFFFAOYSA-N	323.356	1.258	50	20	DDGD	
CO[C@H](C)C(C)=NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	763171148	CWGCTZADDYEZKA-SNVBAGLBSA-N	313.379	1.622	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cccc(OC(C)(C)C)c1	872338972	SVJLFGHTWWUDND-UHFFFAOYSA-N	305.378	1.839	50	20	DDGD	
CCN1CCN(C(=O)c2ccc(NC(=O)CCl)cc2)CC1	1116434019	ITKWNXCVDIXXHI-UHFFFAOYSA-N	309.797	1.642	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNC(=S)Nc1ccc(C)c(C)c1	873763139	OGWNHGAEPPAKJQ-HNNXBMFYSA-N	307.419	1.948	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@@H]1CCOc2c(OC)cccc21	875204796	WVKSMEZVTUGOLN-SNVBAGLBSA-N	309.322	1.431	50	20	DDGD	
CN1C(=O)CCc2cc(NC(=O)NNC(=O)C3CCC3)ccc21	779354137	SESXRZWEXNUWCL-UHFFFAOYSA-N	316.361	1.548	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2cccc(C(F)(F)F)n2)C1=O	776158736	YDWVZYAYNMMHEP-ZETCQYMHSA-N	302.256	1.022	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1c(O)cccc1O	770409232	YFXLURACLIWGII-UHFFFAOYSA-N	302.286	1.181	50	20	DDGD	
CC(C)/C=C\c1cn([C@H](C)C(=O)NNC(=O)CC(C)C)nn1	881291431	PPCPNXZRDGTBJK-ZHRWSRJISA-N	307.398	1.702	50	20	DDGD	
Cc1cscc1NC(=O)C(=O)NNc1nccnc1Cl	784777731	ITDRGOJMBGKMBI-UHFFFAOYSA-N	311.754	1.582	50	20	DDGD	
CCO[C@@H]1C[C@@](O)(CNS(=O)(=O)CCCCl)C1(C)C	882117507	IMGWKNJFSCLXIR-ZYHUDNBSSA-N	313.847	1.101	50	20	DDGD	
O=C(CNc1ccccc1[N+](=O)[O-])NNc1ncncc1Cl	781822595	BWWOUHAQHQGMSI-UHFFFAOYSA-N	322.712	1.593	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@@H](CC)C(N)=O)cc1	782449191	SIBSNNLMVRNIGY-UQTJOTSZSA-N	302.330	1.799	50	20	DDGD	
CN(C)c1nc(N)nc(COC(=O)/C(C#N)=C/c2ccccc2)n1	785376341	MJOGTOJKIPSQFU-XYOKQWHBSA-N	324.344	1.170	50	20	DDGD	
CO[C@@]1(C(=O)NNCC(F)(F)C(F)(F)F)CCSC1	899142845	UORWPXGKFOZUBZ-ZETCQYMHSA-N	308.272	1.327	50	20	DDGD	
CCn1cc(CC(=O)NNC(=O)C(C)(C)c2ccccc2)cn1	780639184	SUDCQRLPXRXFAX-UHFFFAOYSA-N	314.389	1.571	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1ccc2c(c1)OCO2	783450313	HJZRTGQHNDIKCT-NHCYSSNCSA-N	302.330	1.613	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1cnn(-c2ccccn2)c1C	785460132	JHKNCQCWVQNUHI-UHFFFAOYSA-N	301.350	1.187	50	20	DDGD	
CCC1(CC)[C@@H](OC)C[C@H]1NS(=O)(=O)CBr	782473127	UOFACAOTLIYVQL-BDAKNGLRSA-N	314.245	1.852	50	20	DDGD	
COC(=O)Cc1csc(NC(=O)NNc2ncccc2C)n1	790596536	IVKQPXHCOMDPNZ-UHFFFAOYSA-N	321.362	1.711	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCc2ccc(Cl)nc2)n1	792815200	DCKUISZJQVZOBS-UHFFFAOYSA-N	319.752	1.583	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H](C)C[C@@H]2CCOC2)n1	792995110	KRWXAIQHDGVKCY-NEPJUHHUSA-N	306.366	1.149	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1NCC(=O)NNC(=O)c1cccc(C#N)c1	794576853	ZUJBVMROVFXLHC-HIFRSBDPSA-N	314.389	1.488	50	20	DDGD	
CCc1ccnc(CNC(=O)NNC(=O)c2ccccc2O)c1	798119184	WWIHDDXJXJPOJO-UHFFFAOYSA-N	314.345	1.494	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ccnc(F)c1F	792304741	SFOBMRJYBHERSW-UHFFFAOYSA-N	307.256	1.903	50	20	DDGD	
COCCNC(=S)NNC(=O)c1ccc(Cl)cc1OC	797134743	ZQUPTCXOHDMKGI-UHFFFAOYSA-N	317.798	1.104	50	20	DDGD	
Cn1c(Cl)cnc1C=NNC(=O)COc1ccccc1F	799468966	SPHQPXDANCOLLZ-UHFFFAOYSA-N	310.716	1.742	50	20	DDGD	
C[S@](=O)C1(CNC(=O)NNc2cccc(C#N)c2)CCC1	798121140	QHQAWWMOWKHQSC-NRFANRHFSA-N	306.391	1.486	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCN1C1CCCC1)c1ccc[nH]1	798153140	JLKODWNFMQAJCQ-CQSZACIVSA-N	304.394	1.573	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1cc(Cl)c2c(c1)OCO2	794958462	PIMXKTYQFWMMRC-OQFOIZHKSA-N	314.750	1.825	50	20	DDGD	
CC[C@@H]1C[C@H]1NC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	798106248	XBTRDNSLFLUSKZ-ZWNOBZJWSA-N	305.382	1.887	50	20	DDGD	
CSSCCNC(=O)N1CCN(C(=O)N(C)C)CC1	790880908	ZQMFEHMLAMKHSJ-UHFFFAOYSA-N	306.457	1.006	50	20	DDGD	
CC[C@@H](C)CC[C@H](O)CC(=O)NNC(=O)c1cccc(C#N)c1	793417558	BQIAPAUIFUYYGU-DOMZBBRYSA-N	317.389	1.897	50	20	DDGD	
C[C@@]1(C=NNC(=O)c2ccc(-n3cnnn3)cc2)CCCS1	792937210	WAFYUUUVHUGDCV-AWEZNQCLSA-N	316.390	1.664	50	20	DDGD	
CCCOc1cccc(C=NNC(=O)N2CCN(C)CC2)c1	790174726	UWKJFOBYUDMXSV-UHFFFAOYSA-N	304.394	1.766	50	20	DDGD	
C[C@H](NC(=O)NNc1nc2ccccn2n1)[C@@H]1CCCOC1	790466651	YKFLQNTVABXYCC-WDEREUQCSA-N	304.354	1.171	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)c1cccc(C)n1)c1ccccc1	794080388	MAOJVGIJYWLDHA-HNNXBMFYSA-N	313.357	1.929	50	20	DDGD	
CN(CCNS(=O)(=O)CBr)Cc1ccccc1	272861127	XMFIACMBOUVBJQ-UHFFFAOYSA-N	321.240	1.390	50	20	DDGD	
COc1coc(C(=O)NNc2oc(C(C)C)nc2C#N)cc1=O	1322575712	OOGKWMFPZLTWMZ-UHFFFAOYSA-N	318.289	1.388	50	20	DDGD	
C=C[C@@H](COC)NC(=O)NNC(=O)c1cccc2ncccc12	1320425733	BGZBQQAZQMYDID-NSHDSACASA-N	314.345	1.380	50	20	DDGD	
CN(C)[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cnn(C)c1	1327932070	KLCXNHQKYNZVPQ-ISJXMTRFSA-N	301.394	1.316	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CC(C)(C)OC[C@@H]2C)c1	1331537556	XVZLVMRKOPZFGT-JTQLQIEISA-N	311.407	1.910	50	20	DDGD	
CCN1CCOC[C@@H]1C(=O)NNc1ccc(F)c(F)c1F	1335785569	JORAXGKTRZPBBU-SNVBAGLBSA-N	303.284	1.268	50	20	DDGD	
CS[C@H](CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)C(C)(C)C	1261453452	GPFXZSMHGSSXBW-OUAUKWLOSA-N	317.455	1.520	50	20	DDGD	
CC(C)c1ccc(CNC(=O)NNC(=O)C2CCNCC2)cc1	1345130317	VWGSCADOCKAIOP-UHFFFAOYSA-N	318.421	1.640	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(Cl)n1	1350168513	HLDSPHNPHWCTPQ-IUCAKERBSA-N	312.757	1.621	50	20	DDGD	
CC1CC(NC(=O)C(=O)NC[C@@]2(C)C[C@H]2Br)C1	1351173095	BKUQUUJXIPQJCJ-GDNZNSSBSA-N	303.200	1.191	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@H]1[C@@H](C)C1(F)F	1350795383	YHZMPIIUTXYAPU-PELKAZGASA-N	314.288	1.123	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNc2cccc(C(=O)O)c2F)nn1	1603567658	OPLLTCWAVIIIRU-UHFFFAOYSA-N	321.312	1.627	50	20	DDGD	
CC(C)(C)OC(=O)COCC(=O)NNc1cccc(C(=O)O)c1	1609659599	ZGOHKLYVFGRCLE-UHFFFAOYSA-N	324.333	1.186	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)N[C@@H](C)C2CC2)oc1C(=O)O	1607579961	LRAUULVYJXUUBS-ZETCQYMHSA-N	311.363	1.194	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1ccnc(C(=O)O)c1	1608483378	WSYWLFUGHOVKHP-UHFFFAOYSA-N	320.236	1.584	50	20	DDGD	
Cc1c(C(=O)NNc2ccc(C#N)cn2)cccc1-c1nn[nH]n1	1605480105	PKQCEGKCMQPTSK-UHFFFAOYSA-N	320.316	1.199	50	20	DDGD	
O=C(O)c1cc(F)cc(C(=O)NNc2ncc(Cl)cn2)c1	1602270881	AKBUCQDQBFYVIQ-UHFFFAOYSA-N	310.672	1.724	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1604415812	GGBDPTMPFRVUMV-KOLCDFICSA-N	322.756	1.388	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)CC(C)(C)C)oc1C(=O)O	1600300493	UDPXNHZJIZWOAX-UHFFFAOYSA-N	318.351	1.032	50	20	DDGD	
O=C(O)CNC(=O)NN=C(C[C@@H]1CCCO1)c1ccc(F)cc1	1602071167	FIZKMCMKPPMJEC-LBPRGKRZSA-N	323.324	1.483	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@](C)(C#N)CC(=O)O)c1F	1610981580	UHXIAECYLVAMEX-AWEZNQCLSA-N	323.280	1.060	50	20	DDGD	
CC(CCN(C)C)=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccnn1C	1549322605	ZMZIFANVQQRJNJ-HIFRSBDPSA-N	321.425	1.332	50	20	DDGD	
COc1ccc(C(=O)NN=C2C[C@H]3C[C@@H](C(=O)O)[C@H]2C3)cc1	1610315535	OUUYOYXEICGLSK-OASPWFOLSA-N	302.330	1.912	50	20	DDGD	
C[C@H](C(=O)O)c1ccc(NC(=O)NNc2ncccn2)cc1	1589512721	VSXMWQYBFCRSAJ-VIFPVBQESA-N	301.306	1.813	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](O)C(C)C)C2	1845162816	PKASQSVFGWAAMQ-NEPJUHHUSA-N	316.829	1.224	50	20	DDGD	
CC(C)(C)[C@H](NC(=O)NNC(=O)C(=O)O)c1ccc(F)cc1	1589716879	SVGPLHRBRNQULC-SNVBAGLBSA-N	311.313	1.328	50	20	DDGD	
O=C(C[C@@]1(O)CCNC1)NNc1cccc(Br)c1	1580501181	RKVQLFUAVNJZTJ-LBPRGKRZSA-N	314.183	1.007	50	20	DDGD	
CC(C)(C)[C@H](C(=O)O)C(=O)NNc1nc(O)c2ccccc2n1	1588632912	AVMQTWSMCFJPAE-JTQLQIEISA-N	318.333	1.525	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1ccccn1	1588999712	MNZZQCLGWXBAFE-SNVBAGLBSA-N	309.333	1.509	50	20	DDGD	
Cc1oc(C=O)cc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	1592508539	DMZVYUOPMJZZTN-UHFFFAOYSA-N	312.289	1.338	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cc(C(=O)O)oc1C	1599003163	XEOHDCMNJSWICA-UHFFFAOYSA-N	318.285	1.830	50	20	DDGD	
C[C@H]1CC[C@H](CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)O1	1590229954	MTOYHVRMXYASJG-JOYOIKCWSA-N	317.353	1.060	50	20	DDGD	
CN(C)c1cccnc1C(=O)NNc1cccc(C(=O)O)c1F	1598342229	VEWQQTFPDGTNIC-UHFFFAOYSA-N	318.308	1.742	50	20	DDGD	
COc1ccccc1NNC(=O)c1c(C)coc1CC(=O)O	1599715686	LHGJVBPSUVCQCQ-UHFFFAOYSA-N	304.302	1.981	50	20	DDGD	
C[C@]1(CNc2ccc(-c3nn[nH]n3)c(N)n2)C[C@H]1Br	1590134109	NZPSEMRZIXYGGS-RDDDGLTNSA-N	324.186	1.429	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc(-c2nn[nH]n2)c1)C(F)(F)F	1591727742	JWLQNBHJBPRXOI-ZCFIWIBFSA-N	315.259	1.444	50	20	DDGD	
CCOCCCC(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1596904723	HKVZRVSKKUINSK-UHFFFAOYSA-N	315.395	1.397	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1ccc2oc(C(=O)O)cc2c1	1777033721	DPSRZNVGXCXMSF-IZZDOVSWSA-N	320.326	1.887	50	20	DDGD	
COC(=O)NNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1	158945329	DLACLFWHBXOVIN-ZDUSSCGKSA-N	319.405	1.717	50	20	DDGD	
COc1ccc(C(F)(F)C(=O)NNC(=O)c2ccc[nH]2)cc1	160200941	MUJQNVFXVPVRLR-UHFFFAOYSA-N	309.272	1.576	50	20	DDGD	
CCC[C@@H]1CN(C(=O)NNC(=O)c2ccc(C#N)cc2)CCO1	160786496	AABQFGKSGAVPFG-CQSZACIVSA-N	316.361	1.414	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1ccnc(OCCN(C)C)c1	155650305	CSBXUNXFNBHSJK-OWBHPGMISA-N	318.377	1.082	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(OC)cc2[N+](=O)[O-])[nH]n1	155202971	YBTVSYVPDNTREG-UHFFFAOYSA-N	305.294	1.646	50	20	DDGD	
CCOC(=O)N[C@@H](C(=O)NNc1ccncc1Cl)C(C)C	154636763	XABIMXREPVPMFK-LLVKDONJSA-N	314.773	1.949	50	20	DDGD	
Cn1cc(Br)c(C(=O)NNC(=O)OC(C)(C)C)n1	292588449	UZLBPIQRINCIAG-UHFFFAOYSA-N	319.159	1.352	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cccc(C#N)c1	8194585	BLPABUBXZUCDIH-UHFFFAOYSA-N	306.391	1.046	50	20	DDGD	
CNC(=O)NNC(=O)Cc1csc(-c2cccc(F)c2)n1	56375382	SVXIXKQJHZRSRZ-UHFFFAOYSA-N	308.338	1.452	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=S)NCC(F)(F)F	58252772	VZASVOMTOCSDKE-UHFFFAOYSA-N	321.324	1.513	50	20	DDGD	
CCOC(=O)NNC(=O)CCC(=O)c1ccc2c(c1)CCC2	21772841	JWHHFJGLFWCYDO-UHFFFAOYSA-N	304.346	1.916	50	20	DDGD	
CCO[C@@H](C)C(=O)NNc1cc(CC)nc(-c2ccccn2)n1	115156690	RPYQTFZPZOKUBK-NSHDSACASA-N	315.377	1.969	50	20	DDGD	
CCCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)CC1CCCC1	106913929	KRXWRQQLEGXWDO-CQSZACIVSA-N	323.437	1.895	50	20	DDGD	
C[C@H](CN1CCCC1=O)NC(=O)NNc1cccc([N+](=O)[O-])c1	57016859	RGMHVTIJLIGTMG-SNVBAGLBSA-N	321.337	1.232	50	20	DDGD	
COc1c(C(=O)NNC(=O)c2ccc(C)s2)c(C)nn1C	112278183	JPRZXKLAXWLDOR-UHFFFAOYSA-N	308.363	1.182	50	20	DDGD	
CCSc1cc(C(=O)NNC(=O)c2c[nH]nc2C)ccn1	109858666	VGVREHANWCSRMY-UHFFFAOYSA-N	305.363	1.300	50	20	DDGD	
CC(C)N(CC(=O)NNC(=O)c1cccc(C#N)c1)C1CCC1	119486245	YVOLQLSKPSPQSA-UHFFFAOYSA-N	314.389	1.582	50	20	DDGD	
C[C@@H]1SCCN(C(=O)NNC(=O)Cc2cccnc2)[C@@H]1C	118480416	IQOZSEBAUPQUKT-MNOVXSKESA-N	308.407	1.191	50	20	DDGD	
CS[C@@H](C)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	112824176	PSKBWFTZWMSIQG-JTQLQIEISA-N	304.375	1.385	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(C)(C)C)c(Br)n1	119921332	XPNVQLCTWNPVAO-UHFFFAOYSA-N	314.183	1.960	50	20	DDGD	
CCN(CC)c1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1	27610307	PEYOUMJMZFGTGL-AWEZNQCLSA-N	305.378	1.473	50	20	DDGD	
N#CCOc1ccc(/C=C/C(=O)NNC(=O)NC2CC2)cc1	64427971	BSGJKVGHBTWJLJ-FPYGCLRLSA-N	300.318	1.095	50	20	DDGD	
O=C(CCOC[C@H]1CCCO1)NNc1ccccc1[N+](=O)[O-]	76341162	NEDRGLLFTXLBEL-LLVKDONJSA-N	309.322	1.624	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)c1ccccc1SC(C)C	61088519	ATGNAEOTAZHQGD-UHFFFAOYSA-N	323.418	1.473	50	20	DDGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)[C@@H]1COCCO1	178886496	LBNMBKVZEDDSFB-JTQLQIEISA-N	308.231	1.703	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cc2ccccc2c2cccnc12	170796711	CJJVMGXMGWIGNB-UHFFFAOYSA-N	322.368	1.711	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2c(C)noc2C)cc1C	69095989	DTTIXTZTWYEEDJ-UHFFFAOYSA-N	317.345	1.748	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1ccc(N2CC=CC2)cc1	126881082	UCDFAUIWBZERFS-UHFFFAOYSA-N	316.405	1.939	50	20	DDGD	
O=C(CNc1ccccc1[N+](=O)[O-])NNC(=O)c1ccccc1	67704244	UVHSSISQXZQEFN-UHFFFAOYSA-N	314.301	1.468	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1C#N	173015233	SHKIQACOCQLRMV-NHXNDTTKSA-N	311.341	1.769	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc2ccccc12	124697697	AOTVWUSPLZNLGI-LLVKDONJSA-N	313.357	1.972	50	20	DDGD	
Cc1c(C(=O)NNC(=O)Cc2cc[nH]n2)oc2c(C)cccc12	186142700	CHTAORUWFKLMCT-UHFFFAOYSA-N	312.329	1.776	50	20	DDGD	
COc1ccc(F)cc1C(=O)NNC(=O)c1ccc(Cl)nc1	77249047	MNMYQNRPVRRGPW-UHFFFAOYSA-N	323.711	1.958	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@H]2CC=CCC2)c1	73315313	GDNSWWFFJWKJGX-LBPRGKRZSA-N	303.362	1.611	50	20	DDGD	
CC[C@@H](SC)C(=O)NNc1cccc(S(C)(=O)=O)c1	181159686	UMCRTFFOALSSKN-LLVKDONJSA-N	302.421	1.675	50	20	DDGD	
CCC(CC)[C@H](C(=O)NNc1ccncc1)N1CCOCC1	180540659	QQIZRGOWXYLWFU-OAHLLOKOSA-N	306.410	1.662	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNC(=O)N[C@@H]1CC=CCC1	77642761	ZCYUXMINVCORIF-CYBMUJFWSA-N	314.345	1.376	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2ccc(Br)c(F)c2)N1	184248495	DEFPUXZFJXDOPE-SECBINFHSA-N	316.130	1.310	50	20	DDGD	
CO[C@@H](C)CCC(=O)NNc1cccc(S(C)(=O)=O)c1	184221067	TWHMMCWVSBRDFC-JTQLQIEISA-N	300.380	1.348	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)/C=C/c2ccc[nH]2)cc1	189541020	MJSHGYIKNMGIPB-VMPITWQZSA-N	310.313	1.126	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNc1ncc(Cl)cc1Cl	186958917	PFPUKBDGZGJTPZ-UHFFFAOYSA-N	321.164	1.966	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1cc2c(F)cccc2[nH]1	186141857	ILXLRSCVGUOUBF-UHFFFAOYSA-N	301.281	1.034	50	20	DDGD	
CCOCCNC(=O)NNC(=O)COc1cc(C)ccc1C	45643905	GGAQOPLQTUJFBA-UHFFFAOYSA-N	309.366	1.049	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)Cc1c[nH]c2ccccc12	133126065	QUHHDEIBYZFLLO-LLVKDONJSA-N	303.362	1.673	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)c2cc[nH]n2)cc1	45081466	ZVTDSETYMYJFMB-UHFFFAOYSA-N	305.363	1.440	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)COC2CCCCC2)cc1	192733385	LZFMFNFIJAHQPG-UHFFFAOYSA-N	320.389	1.871	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)CN1CCCCCCC1=O	195208798	MMYPCAYQYLLBRA-UHFFFAOYSA-N	309.410	1.507	50	20	DDGD	
CC#CCNC(=O)NNC(=O)c1c(Cl)cccc1Cl	135335000	AGNZYBAZIKWGOB-UHFFFAOYSA-N	300.145	1.961	50	20	DDGD	
CC(=O)Nc1ccc(CNC(=O)NNC(=O)C(C)(C)C)cc1	193099565	VDUPGLRQNJPLHM-UHFFFAOYSA-N	306.366	1.522	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@@H](C)N2CCC[C@H](C)C2)n1	248561289	MOFJTYJZFFHELF-QWHCGFSZSA-N	321.425	1.837	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2cccc3ccccc23)CCO1	266583347	XJFQLDUTHUDRBX-GFCCVEGCSA-N	313.357	1.915	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)[C@H]1C[C@@]12CCOC2	364849672	GASDYBJVDGMNIK-RDDDGLTNSA-N	302.256	1.365	50	20	DDGD	
CC(=O)NCCCCCC(=O)NNc1cccc([N+](=O)[O-])c1	269641484	XUTASQPENZMRLD-UHFFFAOYSA-N	308.338	1.734	50	20	DDGD	
CC(C)(C(=O)NNC(=O)C[C@](C)(O)C1CC1)c1ccccc1	270043979	KFTPMQNUFZNUBB-KRWDZBQOSA-N	304.390	1.663	50	20	DDGD	
CCCC[C@H](NNC(=O)COCc1ccccc1)C(=O)OC	270587332	RSEGQFXHPRCVMJ-AWEZNQCLSA-N	308.378	1.556	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@@H]2CCO[C@@H](C)C2)n1	271685584	RBLHOXQEWSBDGT-WDEREUQCSA-N	309.370	1.235	50	20	DDGD	
COc1ccc(SCCC(=O)NNC(=O)C(C)(C)O)cc1	277853433	BCYKMIXSBMRMFI-UHFFFAOYSA-N	312.391	1.096	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2[C@H](C)[C@H](OC)C2(C)C)n1	271840322	FYGADZNTZPQWOV-GDPRMGEGSA-N	309.370	1.171	50	20	DDGD	
O=C1CCC[C@H](C(=O)NNC(=O)Nc2cccc(Cl)c2)N1	283748425	KBQWPANFSWSJCF-SNVBAGLBSA-N	310.741	1.161	50	20	DDGD	
CCc1occc1C(=O)NNC(=O)COc1ccc(C)cc1	280406032	ANNWZYFZYJZMLL-UHFFFAOYSA-N	302.330	1.990	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F	286484281	VLWJFNWEUOZHAV-UHFFFAOYSA-N	314.273	1.143	50	20	DDGD	
N#C/C(=C\c1ccc(OCC(=O)O)cc1)S(=O)(=O)NC1CC1	280051349	NPKPKWLATXREOC-NTUHNPAUSA-N	322.342	1.096	50	20	DDGD	
CCN(CC(=O)NNC(=O)Nc1ccc(Cl)cc1)C1CC1	283633548	BUYXTPGNJPISIX-UHFFFAOYSA-N	310.785	1.977	50	20	DDGD	
O=C(NNc1ncccc1F)[C@@H](O)Cc1ccccc1Cl	804215777	FJKWVBQEHQTMJE-LBPRGKRZSA-N	309.728	1.921	50	20	DDGD	
C=CCOc1ccc(CNC(=O)NNC(=O)C2CCC2)cc1	805756081	RHKIYCCQXCNALS-UHFFFAOYSA-N	303.362	1.882	50	20	DDGD	
CSc1cccc(NC(=O)NNC(=O)c2cc(C)[nH]n2)n1	806781055	URRSKJYCRWEKSW-UHFFFAOYSA-N	306.351	1.302	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNC(=O)[C@H]2CCCCO2)cc1	295308037	FOLFORFKYQIDNR-CQSZACIVSA-N	320.389	1.689	50	20	DDGD	
O=C(NCCCc1ccc(O)cc1)NNC(=O)[C@@H]1CCCCO1	297049617	BQWOKCPURGYYHY-AWEZNQCLSA-N	321.377	1.224	50	20	DDGD	
O=C(NNc1cccc(F)n1)C(=O)Nc1c(F)cccc1F	807392951	PVQJVMQDUDVLBO-UHFFFAOYSA-N	310.235	1.581	50	20	DDGD	
CCCN(C[C@@H](C)CBr)[C@H]1CC(=O)N(C)C1=O	801587054	WPAAWBDBMOTELR-UWVGGRQHSA-N	305.216	1.487	50	20	DDGD	
O=C(NNc1cccc(F)n1)C(=O)Nc1cccc2c1CCO2	807391075	WMRSITBQDBDENW-UHFFFAOYSA-N	316.292	1.237	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)NC[C@@H](C)c2nccs2)O1	298399099	RCIXYCGUXAHKQZ-UTLUCORTSA-N	312.395	1.145	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1ccc(-c2cnco2)cc1	802024618	SKPDHXPKKLHSRU-UHFFFAOYSA-N	323.312	1.625	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CCCCCC#N)cc1	805152136	KUFDXFGXYMGNQS-UHFFFAOYSA-N	303.362	1.995	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1ccc(-n2cccn2)cc1	802024968	ZUMTYYIDAUPALU-UHFFFAOYSA-N	322.328	1.156	50	20	DDGD	
N#Cc1ccncc1C(=O)NNC(=O)c1cccc2ncccc12	805179949	XXQPFIGHHNBDFY-UHFFFAOYSA-N	317.308	1.576	50	20	DDGD	
CC(C)(C)CCS(=O)(=O)NNC(=O)c1ccccc1O	290757778	YZXNPBHVLZZZTF-UHFFFAOYSA-N	300.380	1.393	50	20	DDGD	
COC(=O)N(C)NC(=O)CCCCCNC(=O)OC(C)(C)C	804125720	RKKDJWJIGJVZQR-UHFFFAOYSA-N	317.386	1.801	50	20	DDGD	
C#CCOc1ccccc1NC(=O)NNC(=O)[C@@H]1CCCCO1	296835003	KPSWDMQOJKKHDT-AWEZNQCLSA-N	317.345	1.420	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)nn1C	802123290	NNIKUTVLVLQOCL-UHFFFAOYSA-N	316.365	1.261	50	20	DDGD	
CCc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)NCCCOC	801843041	YQKSIIKREFWVRR-LSDHHAIUSA-N	319.405	1.719	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1ccc2c(c1)C(=O)CCC2	292868790	WZBTYYTZRTUROH-AWEZNQCLSA-N	317.345	1.537	50	20	DDGD	
CCc1ccc(C#CC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	295805508	WFFGVSMNEWFUOZ-HNNXBMFYSA-N	300.358	1.317	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CC1(F)F	294302378	IQFKMDTXKXFCQF-JGVFFNPUSA-N	302.252	1.396	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cc(-c2ccco2)on1	802025403	FDZAIGIKEXPKIN-UHFFFAOYSA-N	313.273	1.218	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)Cn2nc(C)cc2C)[C@H]1SC	807954822	DXVYELALGAUFKC-GXTWGEPZSA-N	310.423	1.513	50	20	DDGD	
C[C@](O)(C(=O)NNc1ccc2c(=O)[nH]ccc2c1)C1CCC1	813581358	ZHYFTPVMWCXJHV-MRXNPFEDSA-N	301.346	1.522	50	20	DDGD	
C[C@H]1Oc2ccccc2[C@H]1NC(=O)NNC(=O)CC(F)(F)F	812430568	NIWJVQHOYCUQFE-HQJQHLMTSA-N	317.267	1.791	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1c(C)c2ccccc2n1C	814865280	PQGQCFFFQAJAHI-CYBMUJFWSA-N	317.389	1.988	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)N=c2cc[nH]cc2)[C@@H](n2cncn2)C1	815000469	KFVRGGWTIMWRNM-FZMZJTMJSA-N	313.365	1.634	50	20	DDGD	
O=C(CCCNC(=O)NC1CCCCC1)NNC(=O)CC1CC1	819109915	PDGSPAJMYWWWLU-UHFFFAOYSA-N	324.425	1.346	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H](C)CN(C)C(C)C)n1	811912982	KIENHQRAXBLYJK-LBPRGKRZSA-N	307.398	1.063	50	20	DDGD	
C[C@@H]1C(=NNC(=O)C[n+]2ccccc2)CCN1Cc1ccccc1	811630107	UJQSNRUJEANDHF-MRXNPFEDSA-O	323.420	1.741	50	20	DDGD	
O=C(NC[C@H]1COc2ccccc2C1)NNc1ncncc1F	814280316	BRKZVQYLLIHYDB-JTQLQIEISA-N	317.324	1.493	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNc1cc(Cl)nc(Cl)c1	819747650	VQBWHCKJOUKCDE-SSDOTTSWSA-N	310.206	1.946	50	20	DDGD	
NC(=O)N1CCC(=NNC(=O)Nc2ccc3c(c2)OCO3)CC1	814992271	HUQWYZQHNIWPDR-UHFFFAOYSA-N	319.321	1.067	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCc2cncn2C1)c1c[nH]c2ccccc12	816830111	RJIFPWBSTACWHG-NSHDSACASA-N	323.356	1.388	50	20	DDGD	
CCCC(=NNC(=O)Cc1cc(O)nc(O)n1)c1cccnc1	814860108	KCULAQMPGWTODH-UHFFFAOYSA-N	315.333	1.146	50	20	DDGD	
NC(=O)Cc1ccc(CNC(=O)NNc2cccc(F)n2)cc1	811922312	NQGKYAKLGWCWKK-UHFFFAOYSA-N	317.324	1.075	50	20	DDGD	
C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CCCCc2ccccc21	728438009	ZSGZFUWOGYICCR-LLVKDONJSA-N	323.418	1.171	50	20	DDGD	
CO[C@H]1CCC[C@H](C(=O)NNC(=O)CCc2ccccc2)C1	814408625	WJKNSENMTHBRGM-GJZGRUSLSA-N	304.390	1.972	50	20	DDGD	
O=C(CCCn1cccn1)NNc1nc(-c2ccncc2)no1	728072047	PZBJEMKRJYRGBA-UHFFFAOYSA-N	313.321	1.252	50	20	DDGD	
CO[C@](C)(C(=O)NNc1ccc2c(=O)[nH]ccc2c1)C1CC1	812564201	PAQJMUAVJKYQGC-INIZCTEOSA-N	301.346	1.786	50	20	DDGD	
COc1ccc(CCC(=O)NN=Cc2c[nH]c(C(=O)O)c2)cc1	814812961	DFYCCVOVFMCENO-UHFFFAOYSA-N	315.329	1.804	50	20	DDGD	
CN(C)C(=O)c1cccc(NC(=O)NNc2ncncc2F)c1	813840038	NYNXAFMQRVLMLJ-UHFFFAOYSA-N	318.312	1.466	50	20	DDGD	
NC(=O)c1ccc(NC(=S)NNC(=O)CC(F)(F)F)cc1	726471538	PWMHROFVJFDVEQ-UHFFFAOYSA-N	320.296	1.056	50	20	DDGD	
CCOC(=O)NNC(=O)C[C@@H](c1ccccc1)N1CCOC1=O	728266823	ZYYHRTPQGUHVAS-LBPRGKRZSA-N	321.333	1.347	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(Oc2cccc(F)c2)cn1	823889312	QWRKVSMABURRLF-UHFFFAOYSA-N	319.336	1.972	50	20	DDGD	
CCN(CCO)NC(=O)c1n[nH]c(C(C)C)c1Br	823856297	PFMJEXDVFJNMJU-UHFFFAOYSA-N	319.203	1.255	50	20	DDGD	
COC(=O)NNC(=O)c1cccnc1Nc1ccccc1OC	490556365	PENDSNGQNSOLCR-UHFFFAOYSA-N	316.317	1.835	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21	825771436	YAFWPCVGDCPMAW-KUBHYLHLSA-N	321.421	1.567	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1noc(-c2cccs2)n1	491081589	HDIJLNABIUMNAU-HJWRWDBZSA-N	304.331	1.858	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cccc(C(=O)O)c2)nc1	820685448	VBTNNHYOYMSWGL-UHFFFAOYSA-N	315.285	1.323	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)C1	823151602	XCIZLLBTNPYVOU-JTQLQIEISA-N	312.414	1.010	50	20	DDGD	
CSc1ccccc1[C@@H](C)NCc1ccc(B(O)O)cc1	585041774	GEBVYSXZMXMZJN-GFCCVEGCSA-N	301.220	1.939	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NC[C@H]1CCCS1(=O)=O	491052247	VKWYSYURNNUPDM-ICDLMJIXSA-N	322.361	1.426	50	20	DDGD	
CC[C@@H](Oc1ccccc1Cl)C(=O)N1CC[C@H](B(O)O)C1	585071120	MYFQVJIXDQFEGE-CMPLNLGQSA-N	311.574	1.573	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	496417299	DSRVRVSJVCTPRF-UHFFFAOYSA-N	318.211	1.849	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cccc2c1CCOC2	820937366	WWHKUJTYYOGUCM-CQSZACIVSA-N	304.346	1.089	50	20	DDGD	
C[C@H]1CCCC1=NNC(=O)COc1ccccc1-c1nn[nH]n1	736259994	GUMGNTUGRADDKP-JTQLQIEISA-N	314.349	1.538	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=C(C)CCOC	496720381	OANNXGXTQGBHQK-GFCCVEGCSA-N	311.382	1.432	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2c3c(nn2C)CCC3)cc1	905129897	ZLWNFHHHBFYGEL-UHFFFAOYSA-N	312.373	1.546	50	20	DDGD	
CC(C)C[C@H]1OCCC[C@@H]1NCc1ccc(B(O)O)cc1F	585037291	XXRGOBUCPUULEQ-JKSUJKDBSA-N	309.190	1.189	50	20	DDGD	
OB(O)c1ccccc1CN[C@H](c1ccccc1)[C@@H]1CCCO1	585020189	ZCHWHSWTRJDKHE-ZWKOTPCHSA-N	311.190	1.376	50	20	DDGD	
CN(C)c1nc(CNC(=O)[C@]2(C)C[C@@H]2Br)cs1	906887081	XZQJFHNVNQABCM-GZMMTYOYSA-N	318.240	1.999	50	20	DDGD	
O=C(CCN1CCOC1=O)NNc1cc(F)c(F)c(F)c1	493781449	QZTOMZYPZACLIA-UHFFFAOYSA-N	303.240	1.389	50	20	DDGD	
CC(C)C(=O)NCCCNC(=O)NNc1ncc(F)cc1F	838535607	OAYYUBPWFMRMOG-UHFFFAOYSA-N	315.324	1.148	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCOc2cc(N(C)C)ccc21	491008363	HTCBIDSULULAHS-VAWYXSNFSA-N	301.346	1.922	50	20	DDGD	
CCOCCNC(=S)NNC(=O)Nc1ccc(Cl)cc1	734380610	SZYZIFMNANKYDS-UHFFFAOYSA-N	316.814	1.877	50	20	DDGD	
CC1=NO[C@@](C)(C(=O)NNC(=O)Cn2ccc3ccccc32)C1	903160773	NQSPBNKMAKINAW-MRXNPFEDSA-N	314.345	1.344	50	20	DDGD	
C=C[C@@H](CC)CC(=O)OCC(=O)NNC(=O)c1cccs1	909529743	MTWRSEUEGNVCFY-JTQLQIEISA-N	310.375	1.655	50	20	DDGD	
COc1ncc(C(=O)NNC(=O)C(C)(C)c2ccccc2)cn1	733933458	BIJCWBKUADFQSQ-UHFFFAOYSA-N	314.345	1.224	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)c2cc(Cl)ccc2Cl)N1	906552833	NAOQGMARLPDHPX-VIFPVBQESA-N	316.144	1.033	50	20	DDGD	
Cn1c(C2CC2)nc2cc(NCc3ccc(B(O)O)o3)ccc21	585034640	SDLLXHKBBQEBEL-UHFFFAOYSA-N	311.150	1.336	50	20	DDGD	
C=CCN1CCC(NC(=O)[C@]2(C)C[C@H]2Br)CC1	906592058	KDXUSQRVMDWZJO-DGCLKSJQSA-N	301.228	1.927	50	20	DDGD	
C[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)CC[C@H]1c1ccccc1	584953620	XCYCTFPSIVRILA-RDTXWAMCSA-N	323.201	1.632	50	20	DDGD	
CC(=O)N[C@H](CCC(C)C)C(=O)NNc1cccc(C#N)c1	830767170	WONAQUDTWXXTHN-OAHLLOKOSA-N	302.378	1.942	50	20	DDGD	
COCCN(C)NC(=O)c1csc(-c2ccc(O)cc2)n1	837623795	PDCLZQUSEYWQHF-UHFFFAOYSA-N	307.375	1.739	50	20	DDGD	
Cc1ccccc1NNC(=O)COc1cccc(-c2nn[nH]n2)c1	737435882	MMPBFZSCVRHOIO-UHFFFAOYSA-N	324.344	1.697	50	20	DDGD	
O=C(NNC(=O)C1CN(C2CCCCC2)C1)c1ccccc1	837306900	CYAUSJWYIVIULA-UHFFFAOYSA-N	301.390	1.712	50	20	DDGD	
CCCCOc1ccc(CN2CC[C@H](B(O)O)C2)cc1OC	585076348	LQUXKBJSBZJMTF-AWEZNQCLSA-N	307.199	1.923	50	20	DDGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)NCC(=O)O)cc1	832928521	TYRLJPCASUDSPQ-HKMIMPICSA-N	316.313	1.035	50	20	DDGD	
CCCN1C[C@H](C(=O)NNc2cc(F)cc(OC)c2)CC1=O	839704009	RMGCFXOEAGELCW-SNVBAGLBSA-N	309.341	1.536	50	20	DDGD	
Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NNC(=O)c1ncon1	832825671	CZVWRFGKUPFYMO-MNOVXSKESA-N	314.345	1.820	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)Oc1cccc(C)c1C)c1cnn(C)n1	834930879	XVYJGIMODYZQCJ-CYBMUJFWSA-N	315.377	1.740	50	20	DDGD	
CC[C@@H]1C[C@H]1CNC(=O)NNC(=O)COc1ccccc1O	836590439	MTDVDQDDYLCSLP-MNOVXSKESA-N	307.350	1.148	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1cccc(Br)n1)N(C)C	837210623	URZNNSJPGRSHEF-LLVKDONJSA-N	315.215	1.873	50	20	DDGD	
COc1cc(CNC(=O)NNC(=O)CC(F)(F)F)ccc1O	918063484	ATKMIERUGVTRGR-UHFFFAOYSA-N	321.255	1.184	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2CCSc3ccccc32)cn1	741936818	OJHNQNIRYNENHI-GFCCVEGCSA-N	316.386	1.461	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CCN(C)[C@H](C)C2)cc1	741463008	ZJQIGFLNYWJKHZ-GFCCVEGCSA-N	302.378	1.520	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)[C@H]1CCCN(C(=O)C2CC2)C1	743819122	BGQBFCUEAOPYKE-NSHDSACASA-N	322.796	1.827	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=Cc1ccnn1C	914559418	MZGZVLSVNHGMOC-UHFFFAOYSA-N	310.361	1.483	50	20	DDGD	
C[C@H](C(=O)NNc1nccnc1Cl)C(=O)OC(C)(C)C	840859541	NFBUOZNUCFYWJG-SSDOTTSWSA-N	300.746	1.551	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[C@@H]2CNC[C@@H]2C1	842014622	IEGZEHJPQTUTAD-GRYCIOLGSA-N	319.365	1.609	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)C[C@H](c1ccccc1)c1ncc[nH]1	910156806	MMTRAFKAXSTUON-GXTWGEPZSA-N	302.378	1.276	50	20	DDGD	
NCC[C@@H](NC(=O)NNc1cccc(Cl)n1)C(F)(F)F	841335821	VKOXBDFTNAKKMU-ZCFIWIBFSA-N	311.695	1.641	50	20	DDGD	
CC1(C)[C@@H](O)C[C@@H]1NS(=O)(=O)c1ccc(CCl)cc1	388679253	ROIPPVDEWCBIRH-RYUDHWBXSA-N	303.811	1.863	50	20	DDGD	
C=C(C)CONC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	845591186	ZTAFFCLWIRWOQF-UHFFFAOYSA-N	320.349	1.080	50	20	DDGD	
N[C@H]1CCC[C@@H](NC(=O)NNC(=O)CCOc2ccccc2)C1	841982129	PNACQNGGCVPAPK-QWHCGFSZSA-N	320.393	1.056	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cnccc2C)cc1OC	741882595	VILZMCOGEYOALB-UHFFFAOYSA-N	315.329	1.482	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1cccc(C#N)c1	740763057	VWJQTNVSRFKGGN-UHFFFAOYSA-N	300.362	1.703	50	20	DDGD	
O=C(/C=C\C1CCOCC1)NNC(=O)c1cccc(Cl)n1	912507540	NQVLQYDRNUMMRV-PLNGDYQASA-N	309.753	1.479	50	20	DDGD	
CC(C)C(=O)NNC(=O)NNC(=O)c1ccc2ccccc2c1	918779784	CRUKPWRHLNILQX-UHFFFAOYSA-N	314.345	1.471	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1COCC[C@@H]1c1ccccc1	841375750	KSHSWXGWNRMVBS-ZIAGYGMSSA-N	319.430	1.488	50	20	DDGD	
COC(=O)NNC(=O)[C@H](OC)c1ccccc1Br	848367995	QDFLUWFCYVREDY-SECBINFHSA-N	317.139	1.524	50	20	DDGD	
O=C(NN=Cc1cccc(-c2ccccn2)c1)C(=O)NC1CC1	747754791	DPHAMSPOHVBWET-UHFFFAOYSA-N	308.341	1.477	50	20	DDGD	
C[C@H](CC(=O)c1ccccc1F)C(=O)NNc1ncccn1	742520887	GCGXRGJGOFRJAZ-SNVBAGLBSA-N	302.309	1.968	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(F)cc(Cl)c1O	843978993	LQCHJUOHTVGXQX-HTRCEHHLSA-N	316.716	1.371	50	20	DDGD	
NCCCC(=O)NNC(=O)N[C@@H](c1ccccc1)C(F)(F)F	841195639	BAJPGJSMYBJSNP-NSHDSACASA-N	318.299	1.359	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(O)nc2ccccc12	913438184	WLLXQJAWLKQYQZ-UHFFFAOYSA-N	302.359	1.235	50	20	DDGD	
O=C(NNC(=O)[C@@H]1Cc2ccccc21)c1ccc2c(c1)OCCO2	740739926	KEQWUFLMKNPGGW-CQSZACIVSA-N	324.336	1.559	50	20	DDGD	
COC(=O)C12CC(C(=O)NNc3ccc(F)c(F)c3F)(C1)C2	843831091	QJYSXZSRODCCSA-UHFFFAOYSA-N	314.263	1.890	50	20	DDGD	
Cc1cc(C(=O)NNc2ccnc(N(C)C)n2)c(F)cc1F	748853203	CGNBBVVFLCIQTH-UHFFFAOYSA-N	307.304	1.886	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C(C)(C)c1cccc(F)c1	843650639	FSBFUQGNGCNUSE-MFKMUULPSA-N	308.353	1.676	50	20	DDGD	
NC[C@H]1CC[C@H](CNC(=O)NNc2cccc([N+](=O)[O-])c2)CC1	841995911	PTLRKBBJXCKFJE-HAQNSBGRSA-N	321.381	1.986	50	20	DDGD	
CCc1ccc(NC(=S)NNC(=O)[C@H]2CCO[C@H]2C)cc1	843276916	KPRLWKHLVNZEOP-GWCFXTLKSA-N	307.419	1.992	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCC2=CCNCC2)cc1F	841973121	MMEUYKUMFBUODR-UHFFFAOYSA-N	322.340	1.158	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@@H]2CCc3ccccc3C2)n1	846635687	SEAQIFCFWUXIEA-CQSZACIVSA-N	311.389	1.791	50	20	DDGD	
C=C[C@H](C)ONC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	845636241	UUQSDOGSXIMECH-JTQLQIEISA-N	307.354	1.594	50	20	DDGD	
CN(C)c1nccc(NNC(=O)Cn2ccc3ccccc32)n1	740113966	MVNZLANJPQIWTE-UHFFFAOYSA-N	310.361	1.641	50	20	DDGD	
O=C(NNC(=O)C1(c2ccc(F)cc2)CCC1)c1ncccn1	841355078	XLJAAETWDJPIDG-UHFFFAOYSA-N	314.320	1.499	50	20	DDGD	
COc1cccc(F)c1C(=O)NNc1cc(Cl)nc(N)n1	753449659	IPSJESFOWVLRJF-UHFFFAOYSA-N	311.704	1.617	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2C[C@H](C)Cc3c[nH]nc32)n1	857865429	OXUUELYEQPYJJD-BXKDBHETSA-N	313.361	1.240	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@@H](O)c2ccc(C)o2)c1	858706471	UJKDCNXVIHEFFW-SNVBAGLBSA-N	323.374	1.636	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@@H](O)c2ccco2)C[C@H]1Br	856950760	IGTPGSJFGYHBDG-HLUHBDAQSA-N	317.183	1.786	50	20	DDGD	
CC(=O)NNC(=O)C1(C(=O)OC(C)(C)C)CCSCC1	858108350	CPXGYCIXTXPBMK-UHFFFAOYSA-N	302.396	1.009	50	20	DDGD	
CCNC(=O)N1CC[C@H](NC(=O)NNc2ccc(C)c(F)c2)C1	853859991	AJAHXDPVTKSPQT-LBPRGKRZSA-N	323.372	1.564	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)/C=C/c1ccc(O)cc1	854283874	NRFBARIFWRVBIC-RMKNXTFCSA-N	323.418	1.279	50	20	DDGD	
CCCC1(CNC(=O)NNC(=O)[C@H](C)OCCOC)CCC1	758898322	LZLSVKYWJVIZTL-LBPRGKRZSA-N	315.414	1.339	50	20	DDGD	
O=C(NCCC[C@@H]1CC1(Cl)Cl)NNC(=O)c1cn[nH]c1	858591815	KTPPVKSMDRVKGN-MRVPVSSYSA-N	320.180	1.328	50	20	DDGD	
COCc1nc(C)c(C(=O)NNc2nc(C)cc(OC)n2)s1	759248191	AHVKJMGRGYOKII-UHFFFAOYSA-N	323.378	1.462	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CCC[C@@H](CC#N)C1	851917242	XIOLRKUVIYPPNS-ZDUSSCGKSA-N	300.362	1.975	50	20	DDGD	
C[C@@H](CCN(C)C)NC(=O)NNC(=O)CCc1ccccc1	750322918	PDQHAKFXKGSEQS-ZDUSSCGKSA-N	306.410	1.290	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1C(C)=NNC(=O)N1CCOCC1	853296697	JCSSYTPQWKRIGB-UHFFFAOYSA-N	322.321	1.369	50	20	DDGD	
CCC/C=C/C(=O)NNC(=O)COc1ccccc1OCC	920407828	HQDIBJWFTYRDBG-IZZDOVSWSA-N	306.362	1.968	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cc(Br)cnc1F	858522736	DPTGOTVWNYWPDG-UHFFFAOYSA-N	318.146	1.790	50	20	DDGD	
CC(C)NCCCNC(=O)NC[C@@]1(C)C[C@@H]1Br	857103106	BUZJDQKZYXHHMG-CMPLNLGQSA-N	306.248	1.847	50	20	DDGD	
O=C(CCCC1CCOCC1)NNC(=O)OCC(F)(F)F	856020851	WNXFCFGWSLQEBO-UHFFFAOYSA-N	312.288	1.903	50	20	DDGD	
Cc1nc(-c2ccccc2)[nH]c1C(=O)NNC(=O)NCC1CC1	920858976	GYLOBCOYRUFUDT-UHFFFAOYSA-N	313.361	1.739	50	20	DDGD	
CN(CCO[Si](C)(C)C(C)(C)C)c1ccc2nnnn2n1	853694571	QTBKFHIVOBSFFH-UHFFFAOYSA-N	308.462	1.977	50	20	DDGD	
C[C@@]1(CNC(=O)NCc2cccnc2O)C[C@@H]1Br	858627484	ALBBEPATHKMQGM-CABZTGNLSA-N	314.183	1.760	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H]1CCc2ccccc2O1)C1CC1	855095683	ONRIUSVMHFPTBS-IINYFYTJSA-N	319.430	1.674	50	20	DDGD	
C=CCC(CC=C)C(=O)NNC(=O)c1ccc2c(c1)OCO2	758359651	CILJXSWYOZJHCH-UHFFFAOYSA-N	302.330	1.945	50	20	DDGD	
COc1cccc(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1C	852394541	UNYHHJQIPKDMJP-DGCLKSJQSA-N	321.377	1.259	50	20	DDGD	
CC(C)(C)NCCC(=O)NNc1ccccc1S(C)(=O)=O	934899676	CARNDQQDSWUYQC-UHFFFAOYSA-N	313.423	1.311	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1ccc(C)cc1SC	757262999	XPJPKAUJVIGGDX-UHFFFAOYSA-N	311.407	1.584	50	20	DDGD	
CC[C@@H]1C(=O)N(CC)CCN1CCI	759453569	YHYIUOQUMQKRPM-SECBINFHSA-N	310.179	1.364	50	20	DDGD	
C[C@H](O)[C@H]1CCCN1C(=O)NC[C@@]1(C)C[C@H]1Br	856960598	RULFKOQGVPPRTE-BTQIBKBOSA-N	305.216	1.715	50	20	DDGD	
CCC(C#N)(CC)C(=O)NN(C)C(=S)NCCCOC	858164406	WTINNULMVQGPIB-UHFFFAOYSA-N	300.428	1.190	50	20	DDGD	
CC(C)n1cc(NC(=O)NNC(=O)c2ccc(Cl)nc2)cn1	756827067	NXLFYHJDOZFTMG-UHFFFAOYSA-N	322.756	1.979	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)C(F)(F)F	862307528	MNXFJSKQUQRBEX-WCBMZHEXSA-N	307.316	1.207	50	20	DDGD	
CC(C)(CC(=O)NNC(=O)N1CCOCC1)c1ccc(F)cc1	865046528	MDASWXPBLZMGPE-UHFFFAOYSA-N	323.368	1.566	50	20	DDGD	
CC[C@]1(C(=O)NNC(=O)c2ccc(Cl)cc2)CCNC1=O	864421618	JQSWITGYMHFSOK-AWEZNQCLSA-N	309.753	1.017	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)/C=C/CN1CCOCC1	868336936	IVDPWVHXNBYESA-NSCUHMNNSA-N	320.349	1.235	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccn(C)c1	763140494	QQYQAWCGEOHUFS-JTQLQIEISA-N	305.309	1.393	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)NC1CCCC1)c1ccccc1F	760201243	RDFZLDJDJREQJA-INIZCTEOSA-N	323.368	1.960	50	20	DDGD	
COc1cc(C(C)=NNC(=O)c2cccnc2)c(OC)cc1O	763104859	HAIMNMHSTGJVCH-UHFFFAOYSA-N	315.329	1.958	50	20	DDGD	
NC(=O)C(=O)NN=Cc1ccc(Cl)cc1Br	769797268	FMWJDPDAZAIEGQ-UHFFFAOYSA-N	304.531	1.038	50	20	DDGD	
OB(O)c1ccc(CNc2ccc(-n3ccnc3)c(F)c2)cc1	864025227	GHISFHBNRBCGRN-UHFFFAOYSA-N	311.125	1.303	50	20	DDGD	
COc1nc2sccn2c1C=NNC(=O)Cc1cc(C)[nH]n1	767410632	NADHZSGKVWLKRZ-UHFFFAOYSA-N	318.362	1.129	50	20	DDGD	
CCc1ccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1Cl	861105993	LKFAMAIQCSQNLA-LLVKDONJSA-N	324.768	1.334	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=Cc1cccc(F)c1F	763197029	YMSRGUBTKNBFSS-UHFFFAOYSA-N	318.283	1.240	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CCCOC2CCOCC2)n1	864690292	MOEBXOSZVXUBHP-UHFFFAOYSA-N	308.382	1.512	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)c2ccc(Cl)nc2)CCC1=O	763912955	WOAURDUIVOKXHK-BDAKNGLRSA-N	309.753	1.501	50	20	DDGD	
CC(C)C(=O)Nc1cccc(NCc2ccc(B(O)O)cc2)c1	864019326	AMDDQSIIOCGKPP-UHFFFAOYSA-N	312.178	1.573	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)/C=C\c1ccc(C=O)cc1	869067478	BARNIFQRXZQHBK-FJKGEAFKSA-N	302.330	1.085	50	20	DDGD	
COc1ccc(C=O)cc1C(=O)NNC(=O)OCC(F)(F)F	869282005	UDTAKYJVDKIPOM-UHFFFAOYSA-N	320.223	1.441	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@H]1CCN2CCCC[C@@H]12	866502587	ICMIABWIWFCCMX-RYUDHWBXSA-N	308.875	1.798	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H](C)CN2CCOCC2)cnc1Cl	760242341	RKEYWDXMSBJRKS-LBPRGKRZSA-N	324.812	1.462	50	20	DDGD	
COCCOCC(=O)NNC(=S)Nc1ccc2c(c1)CCC2	865244976	XCAKHIAFQIBJCQ-UHFFFAOYSA-N	323.418	1.156	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccnc1)c1cc(C)oc1C	763194731	YOQNUQIYJZWXDL-UHFFFAOYSA-N	314.345	1.562	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccccc1OC(F)(F)F	763437832	IMKUEGBIEYLFEP-UHFFFAOYSA-N	319.239	1.081	50	20	DDGD	
CN(C)C(=O)c1cccc(C(=O)NNc2ncc(F)cn2)c1	760908822	VRCCTZWANCRUBD-UHFFFAOYSA-N	303.297	1.074	50	20	DDGD	
C=C[C@@H](O)C(=O)NNC(=S)Nc1ccc(OC(C)C)cc1	874951752	XVNODZJWVXHJJO-GFCCVEGCSA-N	309.391	1.338	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@@H](OC)C(C)C)cc1	1116170088	ZJPSSFZCJHFNCM-CYBMUJFWSA-N	309.366	1.310	50	20	DDGD	
CSCCNC(=S)NNC(=O)CO[C@H]1CCC[C@H](C)C1	770245877	IJSKXICBUINUKJ-QWRGUYRKSA-N	319.496	1.440	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)C(=O)Nc2ccccn2)c(F)c1	772844156	LFEYLGQCWXTEAF-UHFFFAOYSA-N	311.276	1.181	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1CCO[C@H]1c1ccc(O)nc1	1118949081	KOWXYMXVWWPZSI-QRUMOCGTSA-N	303.318	1.177	50	20	DDGD	
CC(C)(C)C(=O)Cn1cc(C(=O)NCCCSC#N)nn1	773573017	ZDLHALDNFVMMBP-UHFFFAOYSA-N	309.395	1.227	50	20	DDGD	
COC(=O)Cn1cccc1C=NNC(=O)c1ccc(N)cc1	776182632	BTXVCGBSJOLLBZ-UHFFFAOYSA-N	300.318	1.007	50	20	DDGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCN(CCC#N)CC1	879599333	LECDNMRAQMNVFL-FZSIALSZSA-N	311.345	1.991	50	20	DDGD	
CCCN1CCCC[C@@H]1C(=O)NNC(=O)c1cccc(Cl)n1	1119596425	WWWABLWQUPRKTP-GFCCVEGCSA-N	324.812	1.761	50	20	DDGD	
Cc1nnc2n1C[C@@H](C(=O)NNc1cc(Cl)ccn1)CC2	778447435	USJOXJFXIPSIQV-VIFPVBQESA-N	306.757	1.341	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc(C)n([C@@H](C)C2CC2)n1	777389429	RFEMNUFZSVGQKA-JTQLQIEISA-N	316.365	1.269	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1c(O)cccc1Cl	772053033	QRLAPIOHJRAXRQ-SSDOTTSWSA-N	314.725	1.148	50	20	DDGD	
N#CCNCc1cn([C@]2(Cl)C[C@@H]2CCBr)nn1	881382995	RYQRBAOWZJOKHZ-WCBMZHEXSA-N	318.606	1.588	50	20	DDGD	
CN[C@@H](CC(C)C)C(=O)NNc1ccccc1S(C)(=O)=O	884133481	ADLWCNKAHZNIRA-LBPRGKRZSA-N	313.423	1.167	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccc(F)c(C(F)(F)F)c1	779821107	NUEUIJSGYASOME-UHFFFAOYSA-N	321.230	1.651	50	20	DDGD	
C[C@@H](CBr)COC(=O)CCCNC(=O)C1CC1	770339351	TWKDTZPQNNZWHV-VIFPVBQESA-N	306.200	1.867	50	20	DDGD	
C[C@@H](C(=O)NNc1cc(Br)ccc1F)N(C)C	885147861	QDJQNWUBJPAUQD-ZETCQYMHSA-N	304.163	1.981	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CCC[C@@H]2OC)c(F)c1	1120742895	KBSNTJOLMGAMET-GWCFXTLKSA-N	310.325	1.871	50	20	DDGD	
COC1(C(F)(F)F)CCN(S(=O)(=O)CCCCl)CC1	882268784	CHUUNWWUTNJVNG-UHFFFAOYSA-N	323.764	1.988	50	20	DDGD	
O=S(=O)(CCCCl)NCC1CCN(CC(F)F)CC1	882330996	RMMWRQKSLUEPFE-UHFFFAOYSA-N	318.817	1.512	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ccccn2)n(C(C)(C)C)n1	784798380	QYFFSLHCUWOFDH-UHFFFAOYSA-N	316.365	1.423	50	20	DDGD	
CO[C@H]1CCC[C@@H](C(=O)NNC(=O)c2ccc(C)c(O)c2)C1	882050650	DVTMZGKVXYRTJN-YPMHNXCESA-N	306.362	1.667	50	20	DDGD	
Cc1ccc(C(=O)C(=O)NNc2cc(Cl)nc(N)n2)cc1	780971352	OJESHKZKWHEMDX-UHFFFAOYSA-N	305.725	1.347	50	20	DDGD	
Cn1ccc(C(=O)NNC(=O)NCc2ccc(Cl)cc2)n1	787436035	IRYJYNRUODBEFP-UHFFFAOYSA-N	307.741	1.218	50	20	DDGD	
Cc1cc(C)cc(NC(=O)C(=O)NNc2ncc(F)cn2)c1	784949579	NULNMVOKTSXMIX-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@]1(c2ccccc2)CCCO1	887154706	WJWVIPPMFBQINR-QGZVFWFLSA-N	300.358	1.643	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cnc(O)c3ccccc23)n1	787999810	CDVXIUKCEVVMCZ-UHFFFAOYSA-N	324.344	1.553	50	20	DDGD	
C[C@@H]1CCC[C@@H](CNC(=O)NNC(=O)C2CCOCC2)[C@@H]1C	883620497	JCSNVLWVWQTJDW-BZPMIXESSA-N	311.426	1.816	50	20	DDGD	
NC(=O)C(=O)NN=C1CCC[C@H]1c1cccc(C(F)(F)F)c1	788951240	NJNQZHXFHQTWQS-JTQLQIEISA-N	313.279	1.930	50	20	DDGD	
CN1CCC[C@@H]1c1cc(C(=O)NNc2cc(Cl)ccn2)n[nH]1	897330651	BEQBIYLBBOLUBP-GFCCVEGCSA-N	320.784	1.982	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNC(=S)NC(C)(C)C)cn1C1CC1	899997018	CSLSETBUTQWKPJ-UHFFFAOYSA-N	322.434	1.399	50	20	DDGD	
NC[C@H]1CC[C@H](NC(=O)NNC(=O)c2ccccc2F)CC1	892436892	DXEKROXGXXGBID-XYPYZODXSA-N	308.357	1.287	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccc(C(N)=O)nn2)c(Cl)c1C	783657260	VNMRYRFGZDEWMC-UHFFFAOYSA-N	319.752	1.603	50	20	DDGD	
CC(=NNC(=O)C(=O)NCc1ccc(Cl)cc1)[C@@H]1CCCO1	783863346	KOOHIQZIIDKJAZ-ZDUSSCGKSA-N	323.780	1.627	50	20	DDGD	
CN(NC(=O)CCCc1ccc(Br)cc1)C(N)=O	897278035	NYRDXNSBLBRZPO-UHFFFAOYSA-N	314.183	1.814	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1CCCN(C(N)=O)C1	799756056	XDGKCBROQMKKHI-CYBMUJFWSA-N	304.394	1.791	50	20	DDGD	
C[C@@H]1CCC[C@@H]1CNC(=O)NNC(=O)c1ccc(C#N)cc1	798513995	ZRBWMGZTQACYIS-BXUZGUMPSA-N	300.362	1.938	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H](C)Oc2cccc(F)c2)n1	794079700	CYZAKCFNDOECGX-NSHDSACASA-N	317.320	1.758	50	20	DDGD	
COC(=O)C[C@H]1CCC(=NNC(=O)NCC(F)(F)F)[C@H]1C	794494057	IARJIRKGSHPETK-JGVFFNPUSA-N	309.288	1.813	50	20	DDGD	
CON(CC(=O)NNC(=O)C(C)(C)C)C[C@H]1C[C@H]2CC[C@H]1C2	795217686	DHQNPUALMIWFER-RWMBFGLXSA-N	311.426	1.480	50	20	DDGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNC(=S)N[C@H](C)C2CC2)C1	798127342	HNUQDXDWDRUNAW-NQBHXWOUSA-N	313.467	1.876	50	20	DDGD	
CSSCCNC(=O)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1	790879077	NHLKUVINXOLZQC-MNOVXSKESA-N	319.496	1.944	50	20	DDGD	
Cc1cc(C(=O)NNc2nc3ccccn3n2)c2n[nH]cc2c1	791242607	HRKBORFNNBVMCL-UHFFFAOYSA-N	307.317	1.671	50	20	DDGD	
Cc1ccnc(NNC(=O)Cc2ccc([S@](C)=O)cc2)c1	798112260	RNANWXMZJLYQQE-NRFANRHFSA-N	303.387	1.813	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H](C)CC(F)(F)F)n1	793057742	ABMHKGLVPLDODJ-MRVPVSSYSA-N	304.272	1.675	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc3nc(C)n(C)c3c2)o1	793624779	LOSFKGXEQRMPLU-UHFFFAOYSA-N	312.329	1.858	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=CCc1ccc([N+](=O)[O-])cc1	792960937	AKOPYWASISQUPF-UHFFFAOYSA-N	319.346	1.900	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2ccc(-n3cccn3)cc2)CC1	790179314	VVGFBABPQNQCIB-UHFFFAOYSA-N	312.377	1.163	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)Nc2cccc(Cl)n2)cc1	793028993	NAGLXLCWVTUSKS-UHFFFAOYSA-N	315.720	1.688	50	20	DDGD	
COc1coc(C(=O)NNC(=O)CCc2ccccc2)cc1=O	798944108	YLGWXMXURJXTFM-UHFFFAOYSA-N	316.313	1.042	50	20	DDGD	
COc1ccc2c(c1)C(C)(C)CC2=NNC(=O)C[N+](C)(C)C	794457146	OMFDABFTRFSDKD-UHFFFAOYSA-O	304.414	1.903	50	20	DDGD	
C[C@@H](CNS(=O)(=O)c1ccc(CCCl)cc1)N(C)C	38089394	BUSAMELFDPFOMS-NSHDSACASA-N	304.843	1.696	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)NC1(c2cccc(F)c2)CC1	1319813626	ZZHOJKZGGFNMKG-LBPRGKRZSA-N	321.396	1.986	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ccc3n[nH]cc3c2)c1Cl	1319215396	OCSHEKBXTBROAQ-UHFFFAOYSA-N	303.713	1.345	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1cncn1-c1ccccc1)C1CC1	1321029915	VUXFPZHQUVMCMS-NSHDSACASA-N	313.361	1.615	50	20	DDGD	
O=C(NNC(=S)NC[C@@H]1CCOC1)c1ccccc1Cl	1322871487	HAPYRUXOFDHSQQ-VIFPVBQESA-N	313.810	1.485	50	20	DDGD	
CN1CCC[C@H](NS(=O)(=O)c2ccc(CCl)cc2)C1=O	707776052	HSVGRGTWFVVGKK-LBPRGKRZSA-N	316.810	1.325	50	20	DDGD	
Cc1cnc(CC(=O)NNC(=O)COc2ccc(F)cc2)s1	1321298679	DQVGUKZUXZHFPB-UHFFFAOYSA-N	323.349	1.360	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1c[nH]c(C(F)(F)F)c1	1327588613	YLRCJQWUBMZNDT-UHFFFAOYSA-N	313.301	1.389	50	20	DDGD	
Cc1nc([C@@H](C)NC(=O)NNc2ncnc3ccsc23)no1	1258382791	KNCXRIUQPVCWLC-ZCFIWIBFSA-N	319.350	1.770	50	20	DDGD	
C#CCC[C@@H](O)CNS(=O)(=O)c1ccc(CCl)cc1	717913201	PYOIKONDAWGIRP-GFCCVEGCSA-N	301.795	1.478	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc(C(F)F)nc1	1331921277	NSYKZQTYJSIBKO-UHFFFAOYSA-N	302.350	1.927	50	20	DDGD	
Cn1ccc(NNC(=O)c2ccc(-c3ccccc3)nc2O)n1	1339438443	OFTHSJUXBODNKL-UHFFFAOYSA-N	309.329	1.945	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@@H]1CNCC1(C)C)c1ccccc1	1335704077	PAAXBSQNMFKICJ-UONOGXRCSA-N	318.421	1.509	50	20	DDGD	
C[C@@]1(Cn2nnnc2N2CCSCC2)C[C@H]1Br	1336187595	QRQXLWXEHFEYEQ-SCZZXKLOSA-N	318.244	1.400	50	20	DDGD	
CC(CCCCCCC(=O)O)=NNC(=O)C[n+]1ccccc1	1261235093	HJOQBWWJPLMFLT-UHFFFAOYSA-O	306.386	1.891	50	20	DDGD	
CCc1cc(C(=O)NNc2cncc(Br)c2)n(C)n1	1349664054	ZESDTTAWSWXMJN-UHFFFAOYSA-N	324.182	1.897	50	20	DDGD	
COc1coc(C(=O)NNc2cccc(C(=O)O)c2F)cc1=O	1607356039	YNQYGPGFNWZZLE-UHFFFAOYSA-N	322.248	1.243	50	20	DDGD	
C=C(CBr)CN1CCc2[nH]nc(C(=O)O)c2C1	1602771830	BDGFMAVHBHYTAG-UHFFFAOYSA-N	300.156	1.417	50	20	DDGD	
Cn1cc([N+](=O)[O-])cc1C(=O)NNc1ccccc1C(=O)O	1608123390	SJNWJTNKLLLLBD-UHFFFAOYSA-N	304.262	1.388	50	20	DDGD	
Cc1nn(CCC(=O)O)c(C)c1C=NNC(=O)[C@H]1CCCS1	1600784800	UWJAVCGLQNGWKA-GFCCVEGCSA-N	324.406	1.320	50	20	DDGD	
O=C(O)c1ccnc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])c1	1602482454	ZZFUAWUIQQQSQR-UHFFFAOYSA-N	320.236	1.584	50	20	DDGD	
Cc1ncc2n1C[C@H](C(=O)NNc1ccccc1C(=O)O)CC2	1600748859	CPPTXMCGGNHXAJ-LLVKDONJSA-N	314.345	1.595	50	20	DDGD	
O=C(O)CCc1ccc(NC(=O)NNC(=O)c2ccoc2)cc1	1602040576	IMWGTGIPUITOMU-UHFFFAOYSA-N	317.301	1.763	50	20	DDGD	
Cc1ccc(NNC(=O)c2c([N+](=O)[O-])cnn2C)cc1C(=O)O	1607810304	YAJBQGVRCDVPNM-UHFFFAOYSA-N	319.277	1.092	50	20	DDGD	
Cc1nc(NC(=O)NNc2ccc(F)c(C(=O)O)c2)nn1C	1600715713	ZRKKRYPMQMGGBR-UHFFFAOYSA-N	308.273	1.109	50	20	DDGD	
O=C(CCCn1ccc(C(=O)O)n1)NNc1cccc(Cl)n1	1608306873	FQJQCYQARYDYSL-UHFFFAOYSA-N	323.740	1.553	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@H]2CSCCS2)c1F	1610848513	JFNIYXABANALKF-VIFPVBQESA-N	316.379	1.816	50	20	DDGD	
Cc1cc(C(=O)NN=C[C@H]2CCCO[C@@H]2c2ccnn2C)n[nH]1	1552450373	WABKFUXHFDJKGC-RISCZKNCSA-N	316.365	1.335	50	20	DDGD	
C[C@H]1OC(C)(C)N[C@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	1576899441	RVTUTUSLOTVWPX-LHLIQPBNSA-N	319.192	1.945	50	20	DDGD	
Cc1c(NNC(=O)[C@]2(C)C[C@@H](N)CCO2)cccc1[N+](=O)[O-]	1579541187	JZZHRZCDQYVPRX-HZMBPMFUSA-N	308.338	1.243	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1ccc(C2CC2)nc1O	1574578254	BMBWGGPOYKIKLU-UHFFFAOYSA-N	314.301	1.515	50	20	DDGD	
C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](F)Cl	1847813183	XFSNYBKUOGTTKC-FIQHERPVSA-N	318.776	1.314	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)CCCNC)C2	1845164087	KDRFCUNLBFNCBL-LBPRGKRZSA-N	315.845	1.207	50	20	DDGD	
O=C(O)CC1(C(=O)NNc2ccc(F)c(F)c2)CCOCC1	1594976230	GZPMIXZAERMFRR-UHFFFAOYSA-N	314.288	1.679	50	20	DDGD	
CC(C)(CCl)C(=O)N1CC2(CCCN2C(=O)C(F)F)C1	1842665603	SMKHLDBWLZJFSQ-UHFFFAOYSA-N	308.756	1.720	50	20	DDGD	
CC1(O)CCC(=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1	1590150933	RRBNXXAUZGLXIA-UHFFFAOYSA-N	314.349	1.278	50	20	DDGD	
COc1cc(NNC(=O)N[C@H]2C[C@@H](C(=O)O)C2)ccc1Cl	1599444854	GKROXPLKYGBMLE-OTSSQURYSA-N	313.741	1.838	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1csc([N+](=O)[O-])c1	1594781450	PLHVQVDRTPEVOC-UHFFFAOYSA-N	308.275	1.506	50	20	DDGD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NNc1cccc(C(=O)O)c1F	1594126978	UROAMRUCVJPQDA-BDAKNGLRSA-N	308.309	1.972	50	20	DDGD	
CC(=O)NN=Cc1cc(C(=O)O)cc(Br)c1O	1776015338	YUDXCBANLQSCLW-UHFFFAOYSA-N	301.096	1.323	50	20	DDGD	
CCc1cc(C(=O)O)c(C=NNC(=O)c2cnn(C)c2)s1	1776044701	ROCLVFBBVMYRIR-UHFFFAOYSA-N	306.347	1.506	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1ccc(/C=C\C(=O)O)cc1	1777033794	SEJAGCUHQBDZOH-VBKTUFRMSA-N	306.343	1.540	50	20	DDGD	
O=C(O)c1cccc2c(C=NNC(=O)[C@H]3CCOC3)c[nH]c12	1776058115	GZSTYZNKBOYUNJ-VIFPVBQESA-N	301.302	1.353	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=Cc1sc(CC)cc1C(=O)O	1776102122	HEEWFPNXCPNWAP-MWLCHTKSSA-N	310.375	1.884	50	20	DDGD	
CCC(=NNC(=O)c1cn(C)nn1)c1ccc(C(=O)O)cc1	1776092401	KYTLWNMDODVFSG-UHFFFAOYSA-N	301.306	1.057	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@@H]1F)C(Cl)Cl	1793915822	WVUUHEHFRAJAKL-ZOZBQHSOSA-N	323.195	1.786	50	20	DDGD	
CC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@@H]1F	1793914121	SHAWMSFOXDMUPR-KALVJPODSA-N	316.804	2.000	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccc(O)cc1F	162512601	DMXJGBUNWMDJKY-UHFFFAOYSA-N	318.304	1.544	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)CCCC2CCCCC2)nn1	154275177	PRRAJQCWVHAQGZ-UHFFFAOYSA-N	305.382	1.769	50	20	DDGD	
Cc1nc(-c2cccc(NC(=O)NNc3ncccn3)c2)n[nH]1	159487160	NJXZWMHGHCMHFY-UHFFFAOYSA-N	310.321	1.719	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cccc(C2OCCO2)c1	159182329	CUVRVPZOCRKUTA-UHFFFAOYSA-N	315.329	1.145	50	20	DDGD	
CCN(CC(=O)N(C)C)S(=O)(=O)c1ccc(CCl)cc1	312881375	PUDIEUBVDHWRIC-UHFFFAOYSA-N	318.826	1.524	50	20	DDGD	
C[C@@H](C[C@@H](C)NC(=O)OC(C)(C)C)NS(=O)(=O)CCl	827792690	NLVLPGNHTNKRJA-BDAKNGLRSA-N	314.835	1.794	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)N(C)NC(=O)OCc1ccccc1	862287061	MFRKTXHKGNYWEP-UHFFFAOYSA-N	307.350	1.201	50	20	DDGD	
CCn1ccc(C(=O)N(C)NC(=O)OCc2ccccc2)n1	862289604	SOCWHDFQRDTJGL-UHFFFAOYSA-N	302.334	1.816	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1cncc(Br)c1	6991016	ZAVFPDKSHCBBJM-UHFFFAOYSA-N	309.123	1.247	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)COc1ccc(C(C)C)cc1	109996216	IQKSDQDPXCKLHC-UHFFFAOYSA-N	316.361	1.682	50	20	DDGD	
CN(C)S(=O)(=O)c1cccc(C(=O)NN=C2CCCC2)c1	8229419	GCWWNONSKYFANN-UHFFFAOYSA-N	309.391	1.597	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)Cn1ccc2ccccc21	104633045	MTFBVYKJYMSLQR-ZDUSSCGKSA-N	315.373	1.770	50	20	DDGD	
O=C(NNc1cnccn1)c1cccc(OC[C@@H]2CCCO2)c1	114880067	FKUVJRDAEUKXIY-AWEZNQCLSA-N	314.345	1.791	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NNc1ccc(F)c(F)c1F	103274108	YOINZMWNMNROGS-UHFFFAOYSA-N	310.297	1.372	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccccc1)Cc1nccs1	175113828	YKDKHWLIGJXBRE-UHFFFAOYSA-N	304.375	1.036	50	20	DDGD	
CCNC(=O)NNS(=O)(=O)c1ccc(CCC(C)C)cc1	64940157	JHWOZIKBKWWXFR-UHFFFAOYSA-N	313.423	1.788	50	20	DDGD	
O=C(CCSc1ccc(F)cc1)NNC(=O)c1cc[nH]n1	119847312	QOHKMGHWWZYCDZ-UHFFFAOYSA-N	308.338	1.492	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Cc2ccc(OC(F)F)cc2)cn1	117681983	HJYJMCHNDNCSEM-UHFFFAOYSA-N	324.287	1.025	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCc1ccccc1Cl	65208087	HMYNWOHUSZCEAL-UHFFFAOYSA-N	313.785	1.640	50	20	DDGD	
C[C@H](O)CC(C)(C)CNC(=O)NNc1cncc(Cl)n1	175553364	ZHNGLKRVQFIRKT-QMMMGPOBSA-N	301.778	1.553	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@](C)(O)[C@@H](C)c2ccccc2)o1	176209753	CEGVBCVYMZPDPN-YVEFUNNKSA-N	316.357	1.904	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2cc[nH]c2C)c1	174942145	YYPFNWLXLDMTIH-UHFFFAOYSA-N	301.346	1.780	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cn2ccc3ccccc32)cc1	61462730	NREYUNMHUYSIGT-UHFFFAOYSA-N	318.336	1.974	50	20	DDGD	
O=C(NNC(=O)c1cccc(Cl)c1)N[C@@H]1C[C@H]2CC[C@@H]1O2	172163347	KFFCSMNATZFOMU-UTUOFQBUSA-N	309.753	1.604	50	20	DDGD	
Cc1ocnc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	129145738	QEHUJPRLSLAGAZ-SECBINFHSA-N	307.281	1.351	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N1CCC[C@@H]1C	174590247	XXYKXCUEGNYMQO-JTQLQIEISA-N	301.350	1.481	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cc(C)nc(C)n2)cc1	128691758	LRYVSMIAIUWSFL-UHFFFAOYSA-N	300.318	1.637	50	20	DDGD	
O=C(CCc1cccnc1)NNC(=O)NCCc1cccs1	123016310	GEOLLFURGCZDNP-UHFFFAOYSA-N	318.402	1.649	50	20	DDGD	
Cc1ccccc1NC(=O)C(=O)NNC(=O)CC1CCCC1	125842916	ZDWRFEWQRQBYOQ-UHFFFAOYSA-N	303.362	1.661	50	20	DDGD	
NC(=O)COc1ccc(NC(=O)NNc2ccc(F)cc2)cc1	123456660	KXGHZSWXHXQTPG-UHFFFAOYSA-N	318.308	1.838	50	20	DDGD	
CO[C@@H](C)CCC(=O)NNC(=O)c1cccc2ncccc12	183434296	VFEOSCUBTGYJFT-NSHDSACASA-N	301.346	1.811	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(OCC(F)F)nc2)nc(C)n1	121149707	OOMLMAQZTMLNDZ-UHFFFAOYSA-N	323.303	1.889	50	20	DDGD	
COc1cccc(CCNC(=O)NNC(=O)c2ccc[nH]2)c1	123911867	PFJWKVNKMJJYCS-UHFFFAOYSA-N	302.334	1.210	50	20	DDGD	
COc1cccc(NNC(=O)NCCOc2cccc(F)c2)n1	180952749	NBQSLFLMUXAHBP-UHFFFAOYSA-N	320.324	1.934	50	20	DDGD	
CC[C@H](O)CCNS(=O)(=O)c1ccc(CCCl)cc1	157894153	JKHYZXSMOWOMLF-LBPRGKRZSA-N	305.827	1.907	50	20	DDGD	
COCCCCC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	120691398	VGHUJCIQBPHCQU-LLVKDONJSA-N	312.341	1.557	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Cc1ccc(F)cc1Cl	133132933	QKCWLBFISRNWHX-UHFFFAOYSA-N	309.728	1.821	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2ncccc2F)n1	132392154	WYCJVQPCIMHGCF-UHFFFAOYSA-N	306.301	1.154	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C1(c2ccccc2F)CC1	134511915	IUPQCFRKKKCTIV-UHFFFAOYSA-N	301.321	1.657	50	20	DDGD	
CCCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1ccncc1	194126127	AXNXDXHBWTXMBV-ZDUSSCGKSA-N	318.377	1.024	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)CC1(O)CCCCC1	89487202	JWVFVRFYHACMBP-UHFFFAOYSA-N	320.389	1.558	50	20	DDGD	
O=C(CCCc1nnc(-c2ccccc2)o1)NNc1ncccn1	43014193	TUNOOQVYKWCXLE-UHFFFAOYSA-N	324.344	1.993	50	20	DDGD	
O=C(NCc1cccnc1OCC(F)F)NNc1ncccn1	132443523	YTXPLKXZRUTBIS-UHFFFAOYSA-N	324.291	1.342	50	20	DDGD	
O=C(C[C@H]1CCCOC1)NNc1nc(-c2ccncc2)no1	193069930	HQVIFWVMVMEFRY-SNVBAGLBSA-N	303.322	1.391	50	20	DDGD	
C[C@H]1CNCCN1S(=O)(=O)c1ccc(CCCCl)cc1	193358729	MGUPETGHLHTMRS-LBPRGKRZSA-N	316.854	1.840	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NC[C@@H](O)c2ccccc2)cc1	144640196	WHYSMKZZPYFTNM-OAHLLOKOSA-N	324.340	1.236	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)COc2cc(C)ccc2C)O1	268329530	NALLHCWSRZZYTG-UONOGXRCSA-N	320.389	1.787	50	20	DDGD	
COCCC1(C(=O)NNc2nc(-c3cccnc3)no2)CC1	269564013	RKTFKODGZCCDNH-UHFFFAOYSA-N	303.322	1.391	50	20	DDGD	
C[C@@H]1CCC[C@H](NC(=O)NNc2nc(O)c3cnn(C)c3n2)C1	269442930	SUQWRDAWJGWCRO-BDAKNGLRSA-N	319.369	1.274	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)[nH]1	269698815	LREIFSBLVHGTEY-UHFFFAOYSA-N	312.373	1.864	50	20	DDGD	
CC(C)n1nccc1C(=O)NNC(=O)COc1ccccc1O	269019270	PISVWOCJEBENNO-UHFFFAOYSA-N	318.333	1.010	50	20	DDGD	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@H]1COCCO1	264318531	OPHCPDWIYKKURT-CYBMUJFWSA-N	307.737	1.747	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@H]2C[C@@]23CCOC3)cc1	369934064	QINGJCGXMKDANU-RHSMWYFYSA-N	318.373	1.202	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1C(=O)NNC(=O)CCOc1ccccc1	278691978	FBLWUPCJFNMETH-GDBMZVCRSA-N	318.373	1.584	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2ccc(Cl)nc2)[C@H]1OC	275377947	ZJVMMZCRALBGKV-HOSYDEDBSA-N	314.773	1.554	50	20	DDGD	
Cc1cccnc1NNC(=O)NC[C@]1(N(C)C)CCSC1	276606447	DDBZMAIEYYGMLC-CQSZACIVSA-N	309.439	1.453	50	20	DDGD	
CCc1cc(NC(=O)NNc2cccc(C(=O)OC)c2)n(C)n1	272570413	RWCFVMOPDBAMEN-UHFFFAOYSA-N	317.349	1.918	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1CCCc2cn(CCOC)nc21	378543466	JNKILMLYLOBUIS-YPDDLIOESA-N	318.377	1.467	50	20	DDGD	
CO[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1cccc(C)n1	280832347	JUTSXWRZVVXKHM-WCQYABFASA-N	306.366	1.292	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)O1	282465027	HNIJVKVCFRJWTQ-JTNHKYCSSA-N	305.378	1.327	50	20	DDGD	
Cn1ccc2ccc(NC(=O)NNC(=O)CC3CC3)cc2c1=O	284725597	BDPKDICKOKKGLK-UHFFFAOYSA-N	314.345	1.491	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NC[C@@H]2CCCC(F)(F)C2)cn1	283331452	AKAQDSJDRJDBTH-SECBINFHSA-N	315.324	1.190	50	20	DDGD	
CNC(=O)[C@]1(C)CCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C1	281107981	NCHKMDOSRRWKSL-QHDPKREISA-N	314.345	1.917	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNc2nc(-c3cccnc3)no2)O1	282413284	CKTWLYIGJRTFJP-KKZNHRDASA-N	303.322	1.388	50	20	DDGD	
CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NN(C)C(=O)OC	286180402	CKUUQNFYQKXACU-CYBMUJFWSA-N	321.377	1.243	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	283760387	MUGRRWXZGRYHIL-UHFFFAOYSA-N	315.276	1.459	50	20	DDGD	
C[S@](=O)C1(CNC(=O)NNc2cncc(Cl)n2)CCC1	280732414	ISIKHGDBYFKXKK-FQEVSTJZSA-N	317.802	1.057	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNc1ccc2c(O)nccc2c1	285830858	WWKRSADNDITAHH-UHFFFAOYSA-N	316.361	1.546	50	20	DDGD	
C[C@@H]1CCCN(c2cc(C(=O)NNC(=O)C3CCC3)ccn2)C1	291676509	KWPWWCBZOYYMIA-GFCCVEGCSA-N	316.405	1.879	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNc1cc(C(F)(F)F)ccn1	295796494	ZPIWCWDAJGJIKD-MRVPVSSYSA-N	309.313	1.658	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2C[C@H]2C2CC2)cc1	801108330	GOMSIXMZVCMPBB-QWHCGFSZSA-N	301.346	1.127	50	20	DDGD	
COc1cc(C)ccc1CNC(=O)NNC(=O)[C@@H]1CCCO1	292605622	NILLZHBFEYMFRI-LBPRGKRZSA-N	307.350	1.013	50	20	DDGD	
COc1cccc([C@H](C)C(=O)NNC(=O)N=c2cc[nH]cc2)c1	802024224	MCTYNTVEZOGCNN-NSHDSACASA-N	314.345	1.469	50	20	DDGD	
CC(C)(C)n1cc(NC(=O)C(=O)NNc2cccc(F)n2)cn1	807391829	MFSMVNDWXSLMMW-UHFFFAOYSA-N	320.328	1.254	50	20	DDGD	
Cc1ncc2n1CC[C@@H](C(=O)NNc1nnc(C3CC3)s1)C2	290719694	NDMSGKDTDHXCTD-SNVBAGLBSA-N	318.406	1.626	50	20	DDGD	
COc1cccnc1CC(=O)NNc1cnnc2ccccc12	806858740	WWCXMVZJJJKEHY-UHFFFAOYSA-N	309.329	1.719	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)n1	802001138	XUGCTLOUFJJXTO-UHFFFAOYSA-N	322.271	1.835	50	20	DDGD	
CCSc1cccc(CNC(=O)NNC(=O)[C@@H]2CCCO2)c1	292208394	YTPKEBFXPCQNAF-ZDUSSCGKSA-N	323.418	1.808	50	20	DDGD	
O=C(CCC(F)(F)F)NNC(=O)Nc1ccc2c(c1)OCO2	802101436	NMFIHPIPBJRWAV-UHFFFAOYSA-N	319.239	1.911	50	20	DDGD	
O=C(NNc1ncccc1F)[C@@H]1CCCN1c1ncccn1	804214255	VIIDYJRPECIMSF-NSHDSACASA-N	302.313	1.123	50	20	DDGD	
Cc1ccc2c(c1)[C@H](NC(=O)NNC(=O)[C@@H]1CCCO1)[C@H](C)C2	292449654	XWQJLVMMUYKXSN-BYCMXARLSA-N	317.389	1.738	50	20	DDGD	
COCCCOc1cccc(C(=O)NNc2ccncn2)c1	295419611	IQVWKLWNDLQMKP-UHFFFAOYSA-N	302.334	1.649	50	20	DDGD	
O=S(=O)(CCCCCl)N1C[C@]2(CCCO2)[C@H]1C1CC1	815104533	MYDXPTMHLUCUEO-CHWSQXEVSA-N	307.843	1.979	50	20	DDGD	
N#C[C@@H]1CCCC(=NNC(=O)Cc2cc(O)nc(S)n2)C1	814783407	FXSUZHCJQSDQGB-MRVPVSSYSA-N	305.363	1.199	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1cnc([C@@H]2CCCO2)s1	815001998	HQLHYVFOYAREFQ-LBPRGKRZSA-N	317.374	1.967	50	20	DDGD	
CNc1ccccc1C(=O)NNC(=O)c1cccc(N(C)C)c1	816806865	PIXMOVYSPARTPT-UHFFFAOYSA-N	312.373	1.869	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C(C)(C)O)sc2cc(F)ccc12	813530765	YKFWWSMYOGDKLM-UHFFFAOYSA-N	310.350	1.881	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=C(C)c1cnnn1C	814724005	GDRTZBFNDOVGES-UHFFFAOYSA-N	301.350	1.297	50	20	DDGD	
CCn1nncc1C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	814731337	ZLYPALFTEKAWGQ-UHFFFAOYSA-N	315.377	1.670	50	20	DDGD	
N#CSCCCNC(=O)CCOc1ccc(C(N)=O)cc1	819698116	AYZMKUGDKHMEQA-UHFFFAOYSA-N	307.375	1.275	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)CNc1ccc(C)cc1C	811634959	HRKREWHZGOTVSE-CQSZACIVSA-N	316.405	1.876	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	812447135	PASIUXCQMJMLPP-GHMZBOCLSA-N	324.377	1.383	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)Cn1cnc2ccccc21	812451685	JOYLGVLDHZGIAY-RYUDHWBXSA-N	318.377	1.102	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2CCCc3ccc(N)cc32)n1	814752779	CWUDEIVNDWHGCW-UHFFFAOYSA-N	311.389	1.939	50	20	DDGD	
Cn1nncc1NNC(=O)[C@H]1CCCN1Cc1ccc(F)cc1	816770005	GJACBJHYODXRJT-CYBMUJFWSA-N	318.356	1.062	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CC[C@H](C(=O)O)C(C)(C)[C@@H]1C	814777195	QNFCTSMHODLNJX-NXEZZACHSA-N	311.382	1.140	50	20	DDGD	
CCc1ccccc1-n1cc(O)c(C(=O)NNc2nc[nH]n2)n1	816632638	RVBVYDLFEQBCFJ-UHFFFAOYSA-N	313.321	1.015	50	20	DDGD	
C[C@@]1(C(=O)NNc2ccccc2Br)CCNC1=O	821147602	IPAVIXVTGPKYHP-GFCCVEGCSA-N	312.167	1.418	50	20	DDGD	
O=C(NNC(=O)c1nc2cnccc2s1)NC1CCCC1	824349286	LSVPLBVWJHMDFR-UHFFFAOYSA-N	305.363	1.578	50	20	DDGD	
CC(C)C(=O)NNC(=O)CNc1cccc(C(F)(F)F)c1	825503593	BVIAHSWZPXUBIJ-UHFFFAOYSA-N	303.284	1.921	50	20	DDGD	
CC(C)(C)OC(=O)NCC1(CC(=O)NNC(=O)C2CC2)CC1	496435363	GOIJEAKGCVPYSR-UHFFFAOYSA-N	311.382	1.239	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)[C@H]2CCCCO2)CCOc2ccccc21	820941680	AJQMFCIGNUOXQQ-PBHICJAKSA-N	318.373	1.443	50	20	DDGD	
CN1CC[C@H](C(=O)NNC(=O)c2cc3c(s2)CCCCC3)C1	729283932	MJYIUNGCINCDFC-LBPRGKRZSA-N	321.446	1.730	50	20	DDGD	
O=C(C[C@@H]1CC[C@H]2C[C@H]12)NNC(=O)c1cccc([N+](=O)[O-])c1	822121682	KEPPBRXBXNHGQZ-KWBADKCTSA-N	303.318	1.792	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cc(C#N)[nH]c2C)n1	826966234	JKYOUYFCIQPWFF-UHFFFAOYSA-N	313.365	1.588	50	20	DDGD	
CC(=O)NC[C@H](CC(=O)NNC(=O)c1ccccc1)CC(C)C	822141445	CUYYBFTYARPSHM-AWEZNQCLSA-N	319.405	1.636	50	20	DDGD	
COc1cc(C(=O)NC[C@@]2(C)C[C@@H]2Br)ncn1	826856546	DYBPKQCWBQTWRI-GZMMTYOYSA-N	300.156	1.389	50	20	DDGD	
C[C@@H]1CN(CCNC(=O)/C(C#N)=C\c2ccc(F)cc2)CCO1	490846678	VVBBRTZUGQORSK-NWFCWYBLSA-N	317.364	1.570	50	20	DDGD	
C[C@@H](C1CCCCC1)N(C)C(=O)c1ccc(B(O)O)c(F)c1	584983393	WQZAZKOYKDOBSU-NSHDSACASA-N	307.174	1.546	50	20	DDGD	
CN(NC(=O)Nc1ccc(CCN2CCOCC2)cc1)C1CC1	824117425	ABIGRWFQWJSSBQ-UHFFFAOYSA-N	318.421	1.692	50	20	DDGD	
OB(O)c1ccc(CNc2ccccc2N2CCCCC2)cc1	585011664	AIPMNSZPDSGRJL-UHFFFAOYSA-N	310.206	1.969	50	20	DDGD	
COC(=O)CC1(NC(=O)/C(C#N)=C\c2ccc(O)cc2)CCC1	491047236	IKEVSAUOGLOPKX-LCYFTJDESA-N	314.341	1.901	50	20	DDGD	
O=C(NNc1ccc(F)cc1)NC1CCN([C@@H]2CCOC2)CC1	823115671	LKSTZZZGEGOJLO-OAHLLOKOSA-N	322.384	1.705	50	20	DDGD	
COc1ncccc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	906331335	XOUKCBGVSIIECO-UHFFFAOYSA-N	316.273	1.073	50	20	DDGD	
CCN(CCO)NC(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C	823897498	DUSHIHSPXJFLEY-LLVKDONJSA-N	302.415	1.336	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccc3ncccc23)cn1	730227603	HKRCEBJXMZHGIS-UHFFFAOYSA-N	322.324	1.713	50	20	DDGD	
C/C(=C\COC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C)C(=O)O	825745614	ASKALMGLLFGHMG-RPGDPGDJSA-N	313.313	1.686	50	20	DDGD	
Cc1ccccc1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1	584974596	HAQZIIFNTXZTIC-UHFFFAOYSA-N	323.201	1.695	50	20	DDGD	
COc1ccc2c(c1)CC[C@@H](C(=O)NNC(=O)NC1CC1)C2	900383221	BUPRDVKWBDAYID-GFCCVEGCSA-N	303.362	1.293	50	20	DDGD	
COC(=O)c1cc(NC(=O)NN(C)C2CC2)c(C)c([N+](=O)[O-])c1	824303425	QHSXANVJTPACPK-UHFFFAOYSA-N	322.321	1.821	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(-c2ccc(CC)cc2)on1	900385859	HEFWHMBAUSJOKB-UHFFFAOYSA-N	302.334	1.868	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(CC(=O)OC)c(F)c1	496673705	QIQOJZINCJIRDM-UHFFFAOYSA-N	313.285	1.324	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NCC2CCSCC2)c1	733345358	AZJBZEIOBNTPPM-UHFFFAOYSA-N	318.402	1.645	50	20	DDGD	
O=C(NNc1cccnn1)[C@@H](CN1CCCC1)c1ccccc1	832040072	XZNNTPZMOQHNAL-HNNXBMFYSA-N	311.389	1.799	50	20	DDGD	
O=CN1CCC[C@@H]1C(=O)NNc1cccc(C(F)(F)F)c1	830761489	BJFJGHAOPVDFHW-LLVKDONJSA-N	301.268	1.769	50	20	DDGD	
CCC[C@H](CC1CCCC1)C(=O)NNC(=O)C(=O)N1CCCC1	733257610	UTZAXKKYXSBZOO-CQSZACIVSA-N	323.437	1.753	50	20	DDGD	
COC(=O)c1cc(C)cc(C(=O)NNC(=O)C2CCCC2)c1	837337474	DVNHSBLJEPJYOY-UHFFFAOYSA-N	304.346	1.733	50	20	DDGD	
C[C@@H]1O[C@H](C)CC1=NNC(=O)c1nn(C)c(=O)c2ccccc12	834926091	GXJQDMNOIDTEGY-ZJUUUORDSA-N	314.345	1.217	50	20	DDGD	
O=C(NCCOC[C@H]1CCOC1)NNc1ncc(F)cc1F	838415533	DRPRNCXLTONRRJ-VIFPVBQESA-N	316.308	1.039	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)[C@@H]1CCCCO1)N1CCCCC1	833778696	HUMJREKDQCXJFU-KBPBESRZSA-N	311.426	1.213	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2nc(-c3ccccc3)no2)CCC1	730030992	ALQJFWNWKDXUNL-UHFFFAOYSA-N	315.333	1.096	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1CCOC2(CCCCC2)C1	585030854	KEDHSQIDSFGWPJ-OAHLLOKOSA-N	303.211	1.338	50	20	DDGD	
C=CC(C)(C)C(=O)OCC(=O)NNC(=O)Cc1ccccc1C	837864288	MSIOHELNOIOTCU-UHFFFAOYSA-N	318.373	1.440	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc(N2CCOCC2)nc1	836626489	DAZMQORYWHLIEJ-UHFFFAOYSA-N	322.365	1.088	50	20	DDGD	
CC(C)c1ccc(CNCc2ccc(B(O)O)cc2F)cc1	585018842	USOIZFYWQBLKHN-UHFFFAOYSA-N	301.170	1.919	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@H](CCO)Cc2ccccc2)cn1	831786868	CRWREDJVLSPCIG-JDZKTDJGSA-N	324.384	1.437	50	20	DDGD	
CC(C)(CCc1ccccc1)NC(=O)c1cccc(B(O)O)c1	584938614	CJDVXRXDODAIIM-UHFFFAOYSA-N	311.190	1.508	50	20	DDGD	
COc1cccc2cc(C(=O)NNC(=O)[C@H]3CCCCO3)oc12	833256667	QURXAYIYARKBAA-GFCCVEGCSA-N	318.329	1.772	50	20	DDGD	
CSc1cc(C)ccc1CNCc1ccc(B(O)O)cc1F	585030943	MBYAVPDQVLOFAY-UHFFFAOYSA-N	319.210	1.826	50	20	DDGD	
O=C(N[C@H]1CCC12CCCCC2)c1ccc(B(O)O)c(F)c1	584980412	ZEKBBKZKSMXCQW-AWEZNQCLSA-N	305.158	1.348	50	20	DDGD	
O=C(NC[C@H]1CCC[C@H]1c1ccccc1)c1ccc(B(O)O)cc1	584994620	BXTKCGOCPMLFKR-AEFFLSMTSA-N	323.201	1.680	50	20	DDGD	
CCCCSCC(=O)NNc1nc2ccccc2c(=O)n1C	733261716	IXMSSLYZVRRLHD-UHFFFAOYSA-N	320.418	1.910	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCc1cc(=O)cc[nH]1	910399211	KKRUXTHSXDBEOX-JTQLQIEISA-N	301.184	1.801	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2cccs2)cc1	916830245	GPBHRVXPJGOJQB-UHFFFAOYSA-N	317.370	1.385	50	20	DDGD	
O=C(CN[C@H]1CCC[C@@H]2C[C@H]12)NNC(=O)c1cccc(Cl)c1	839196794	RYCCVCYUDIUIRL-SWHYSGLUSA-N	321.808	1.879	50	20	DDGD	
CC(=O)c1cn(CC(=O)Oc2cc(C)c([N+](=O)[O-])cc2C)nn1	835074968	VTKRJMGZDWBECB-UHFFFAOYSA-N	318.289	1.611	50	20	DDGD	
COc1ccccc1-c1nc(C(=O)NN(C)C[C@@H](C)O)cs1	910168023	LYICVNSNWBZADP-SNVBAGLBSA-N	321.402	1.776	50	20	DDGD	
O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccnc(F)c1	745477283	WHBUNGSJZLUQBY-UHFFFAOYSA-N	303.249	1.024	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)COC(=O)CCC2CC2)c1	745042692	XXYLNRCPAYHJPW-UHFFFAOYSA-N	315.329	1.053	50	20	DDGD	
Cn1cccc1C=NNC(=O)c1csc(N2CCOCC2)n1	916337244	BMWXQCJBZVDLON-UHFFFAOYSA-N	319.390	1.082	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)C(C)(C)C#N	917920327	TVNHMFSOEBNXBZ-UHFFFAOYSA-N	313.361	1.296	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@@H](C)NC(=O)NNc1cncc(Cl)n1	840414837	GDRRITVTHSQMFB-AMIZOPFISA-N	313.789	1.960	50	20	DDGD	
C[C@H](Cc1ccncc1)NC(=O)NNC(=O)c1ccc(C#N)cc1	749621187	QYRJNXZRYMNGCL-GFCCVEGCSA-N	323.356	1.528	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@@H](CO)Cc1ccccc1	916364649	RQJZVUCACFOKMP-CQSZACIVSA-N	305.378	1.111	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)Cc2ccc(F)cc2)CS1	840420303	ZLSKYBMJHAUUPQ-CABZTGNLSA-N	311.382	1.593	50	20	DDGD	
CCn1nc(C)c(/C=C(\C#N)C(=O)NCCc2ccccc2)n1	840729212	NNOZIPZPUWEDFT-RVDMUPIBSA-N	309.373	1.872	50	20	DDGD	
O=C(CN1CCCC1=O)NNC(=O)c1cccc2ccsc12	913732384	UPMZRPRNHWFYNI-UHFFFAOYSA-N	317.370	1.285	50	20	DDGD	
CCC(=NNC(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CCOC1	741842123	FKDIBHLEZATVMT-VIFPVBQESA-N	307.306	1.833	50	20	DDGD	
Cc1noc(C)c1C(C)(C)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843657920	TZXYBXFUSRANMO-MWLCHTKSSA-N	309.366	1.141	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1cncc(N2CCOCC2)c1	848082372	GOLSNQYARUKKCS-UHFFFAOYSA-N	318.204	1.794	50	20	DDGD	
CCCC[C@H]1CCC[C@@H]1NC(=O)NNC(=O)c1ncccn1	841577497	DKYQNRIVKDBYPP-RYUDHWBXSA-N	305.382	1.780	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1cn2ccccc2n1	918708400	LQWSRWBXDNWWCI-UHFFFAOYSA-N	324.340	1.872	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(-c3ccco3)[nH]n2)n1	746628197	XHWQDNOZNIURHD-UHFFFAOYSA-N	314.305	1.534	50	20	DDGD	
CCCC[C@H](CN)NC(=O)NNC(=O)c1ccc(C#N)cc1	841959204	WJJKVFOYXCMKGT-CYBMUJFWSA-N	303.366	1.020	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2c(C)nn(C)c2C)cc1OC	916289050	VDKTWDQMSFYONP-UHFFFAOYSA-N	316.361	1.818	50	20	DDGD	
CC(C)(C)N1C[C@@H](C(=O)NNc2ccc(Cl)nc2)CC1=O	743818387	VZWSTTUPPOPEIZ-VIFPVBQESA-N	310.785	1.825	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)n1	847444283	YSHHIJQRLCXFFC-RYUDHWBXSA-N	320.397	1.128	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCc1cccc(F)n1	748030952	KRFBOLRELZJMMZ-UHFFFAOYSA-N	316.336	1.684	50	20	DDGD	
Cn1ccnc(NNC(=O)C2(c3cccc(F)c3)CCC2)c1=O	749542569	JHCOVIBTJTVSIU-UHFFFAOYSA-N	316.336	1.484	50	20	DDGD	
Cc1cccc(C)c1NCC(=O)NNC(=O)CC(F)(F)F	746687128	YEKFWPMKACJQPG-UHFFFAOYSA-N	303.284	1.815	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNc2nccc(OC)n2)o1	746873732	YWLRQBFNIIIDRL-UHFFFAOYSA-N	319.365	1.677	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCc2cc(Cl)ccc21	743430996	ONFIYFTXWAODBE-UHFFFAOYSA-N	305.765	1.729	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C1CCC1)c1nc(C(C)(C)C)no1	745920884	ZJODNLHDBPGRSR-QMMMGPOBSA-N	309.370	1.559	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)s1	749310329	ONQZAYSMUSIZMF-UHFFFAOYSA-N	316.298	1.603	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)NCc2cc[nH]n2)cc1	916635905	HZKCLVZLDYMDJN-UHFFFAOYSA-N	319.390	1.341	50	20	DDGD	
O=C(C[C@@H]1CCS(=O)(=O)C1)NNc1cc(F)c(F)c(F)c1	746703228	MPHDLHBGAGYACS-ZETCQYMHSA-N	322.308	1.372	50	20	DDGD	
CC(=NNC(=O)Cc1cc(C)[nH]n1)c1ccc([S@](C)=O)cc1	746368172	AUOUSIMLAFSLBY-QFIPXVFZSA-N	318.402	1.538	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cn(C(C)C)nc1C	846866383	WYEVUWCJMWTJDA-UHFFFAOYSA-N	316.361	1.856	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1ccc(CC(=O)O)cc1	842553230	GCVHRSICCVANRG-SMDDNHRTSA-N	304.346	1.579	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C1CCCC1)c1nc(C(C)(C)C)no1	745919897	OBAKUYCCDWKQJX-VIFPVBQESA-N	323.397	1.949	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(Cl)c(F)c1	843661978	PBWLYNCALXSNEV-VXNVDRBHSA-N	300.717	1.665	50	20	DDGD	
C=C[C@@H](C)ONC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	845639130	OIFMDTGNYZHPFZ-NXEZZACHSA-N	311.313	1.430	50	20	DDGD	
O=C(NN=Cc1cccc(OC(F)F)c1)C(=O)N1CCCC1	748136421	IARFYSHHTFIHIC-UHFFFAOYSA-N	311.288	1.361	50	20	DDGD	
CN(CCOc1ccccc1)CC(=O)NNC(=O)C(C)(C)C	744385610	YXGCINGIXNROJD-UHFFFAOYSA-N	307.394	1.191	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)C)ncn1	844134094	HWRYAUSKPFJUCR-LBPRGKRZSA-N	308.382	1.842	50	20	DDGD	
O=C(CNC(=O)C1CC1)NNc1cc(Cl)ccc1Cl	752812947	NBBZYUNOIALLDR-UHFFFAOYSA-N	302.161	1.963	50	20	DDGD	
COc1nc(C)ccc1C(=O)NNc1cc(Cl)nc(N)n1	753464091	JUJSJPKKSCPAKR-UHFFFAOYSA-N	308.729	1.181	50	20	DDGD	
C#CCOc1ccc(NC(=O)NNC(=O)c2cccn2C)cc1	756479156	ICCAQJUCZUFLFW-UHFFFAOYSA-N	312.329	1.504	50	20	DDGD	
Cc1cc(NNC(=O)CCn2ncn(C)c2=O)ccc1Cl	928340273	VOQUKLMUJFLOTA-UHFFFAOYSA-N	309.757	1.077	50	20	DDGD	
N#Cc1ccc(CCNC(=O)NNC(=O)CC(F)(F)F)cc1	854294698	JDGBCLZOCVDQQE-UHFFFAOYSA-N	314.267	1.384	50	20	DDGD	
O=S(=O)(NCCN1CCC1)c1ccc(CCCCl)cc1	752030202	YDLDUUCXYJZUHO-UHFFFAOYSA-N	316.854	1.842	50	20	DDGD	
CC(C)[C@@H](C)N(C)CC(=O)NNC(=O)c1cccc(C#N)c1	756485268	BMJKXEDAJCQNSA-GFCCVEGCSA-N	302.378	1.296	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCOCCN2)c1C	854693264	WVGAGEPCPPGCMS-WJDWOHSUSA-N	316.405	1.785	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)CCc1ccccc1	756624989	JESHRKMUZYVMQR-HNNXBMFYSA-N	317.389	1.168	50	20	DDGD	
CN1CCC[C@@H]1CNC(=O)NC[C@@]1(C)C[C@H]1Br	856838782	IJDDRKAFVCFVOP-CKYFFXLPSA-N	304.232	1.553	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NN=Cc2cnc3ncccn23)c1	755505231	ORVDBYNJZABMAM-UHFFFAOYSA-N	323.356	1.875	50	20	DDGD	
C[C@@]1(CNC(=O)C(F)(F)C2(O)CCC2)C[C@@H]1Br	857394033	OJVBQAXSDJMMNQ-CBAPKCEASA-N	312.154	1.826	50	20	DDGD	
CN(C)CCc1ccc(C(=O)NNc2ncc(Cl)cn2)cc1	857359211	UQDNQRQERMIGEE-UHFFFAOYSA-N	319.796	1.991	50	20	DDGD	
C[C@]1(CNC(=O)NCCOCC2CC2)C[C@@H]1Br	856833209	XTIWHDVLHZBJPU-CMPLNLGQSA-N	305.216	1.886	50	20	DDGD	
CSc1c(F)cccc1NC(=O)C(=O)NNC(=O)C(C)C	850410567	WMXRERLKLBPWAI-UHFFFAOYSA-N	313.354	1.290	50	20	DDGD	
COCC1(C)CCN(C(=O)NNC(=O)c2cccc(F)n2)CC1	852708433	BDTSAEGSVYIPEU-UHFFFAOYSA-N	324.356	1.324	50	20	DDGD	
CN1CC=C(CNC(=O)NC[C@@]2(C)C[C@H]2Br)CC1	856952457	DKIBJCKSRNFQAI-DGCLKSJQSA-N	316.243	1.721	50	20	DDGD	
CSC(C)(C)CNC(=O)NNC(=O)c1cccc(F)n1	852162858	VHGGOHVKONYQQT-UHFFFAOYSA-N	300.359	1.306	50	20	DDGD	
O=C(NNC(=O)N1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1)c1cccc(F)n1	852710246	MCKLVBHNHIKMBM-FIQHERPVSA-N	316.336	1.329	50	20	DDGD	
C[C@@H]1CCc2c(C(=O)NNC(=O)c3cc[nH]n3)csc2C1	855361717	HUHCOHLAAJLKLA-MRVPVSSYSA-N	304.375	1.671	50	20	DDGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1cnnn1C	751130058	RPVZTHFZWPTILB-LBPRGKRZSA-N	323.356	1.886	50	20	DDGD	
CC(C)c1cccc(C(=O)NNC(=O)N2CCN(C)CC2)c1	854378760	AYXLMLKXGFEUJO-UHFFFAOYSA-N	304.394	1.412	50	20	DDGD	
CN(C)C(=O)OCCNC(=O)[C@@H](Br)C(C)(C)C	855647672	ITOXAAAJDRSFOC-MRVPVSSYSA-N	309.204	1.610	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)NCC[C@@]1(O)CCCOC1	854223626	GJCGGYDQCNNFMH-HNNXBMFYSA-N	311.357	1.692	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NC[C@@]2(C)C[C@H]2Br)CCN1C	856840876	WAEWUDBDKNTIJV-PRULPYPASA-N	318.259	1.942	50	20	DDGD	
C[C@]1(CNC(=O)NCCCn2cccn2)C[C@H]1Br	856824694	MHNBVVKSVUQJQE-ZYHUDNBSSA-N	315.215	1.746	50	20	DDGD	
C[C@@H]1OCCN(C(=O)NC[C@]2(C)C[C@@H]2Br)[C@H]1C	856903412	PMPINNLQQQQYEL-GMOBBJLQSA-N	305.216	1.979	50	20	DDGD	
COCCN(C)NC(=O)Cc1ccc(Br)cc1F	854410404	WIBJMLCGRABPHJ-UHFFFAOYSA-N	319.174	1.740	50	20	DDGD	
CC(C)(O)[C@H](Oc1ccccc1)C(=O)NNc1cccc(F)n1	854442982	KDNROXAVFNRLSI-CQSZACIVSA-N	319.336	1.882	50	20	DDGD	
C[C@@H](C=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1	756878668	CRMIETJATKHUIT-CMPLNLGQSA-N	312.366	1.466	50	20	DDGD	
CCOCCn1cc(C(=O)NNc2ccc(Cl)nc2)cn1	857142050	GFSQLJGGBBCSOC-UHFFFAOYSA-N	309.757	1.725	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C(C)C)c(Br)c1	750719118	MTLMJMHCNICIBQ-UHFFFAOYSA-N	315.167	1.875	50	20	DDGD	
CN(CCI)Cc1cccc(C(N)=O)c1	759340918	DBZYEMGFMLOXLK-UHFFFAOYSA-N	318.158	1.652	50	20	DDGD	
CCN(CC)CCNC(=O)NNc1cccc(C(=O)OC)c1C	853200125	GSTSVOZQNQYKEV-UHFFFAOYSA-N	322.409	1.750	50	20	DDGD	
CCC1(CNC(=O)NC[C@@]2(C)C[C@H]2Br)COC1	856862360	XSJVWFUWMJKSTD-MWLCHTKSSA-N	305.216	1.886	50	20	DDGD	
CCOC(=O)Cc1c(C(=O)NNC(C)=O)[nH]c2ccccc12	854154611	BVWGWOSWXOTEDD-UHFFFAOYSA-N	303.318	1.054	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)COc2ccc(F)cc2)o1	753890612	FQNNDDPDKBCZDN-UHFFFAOYSA-N	306.293	1.496	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NC[C@]1(C)C[C@H]1Br)C(C)C	862259152	ZGSXCZDAYIPOEO-FOGDFJRCSA-N	305.216	1.437	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cn(C)c2ccccc12)C1CCC1	863854444	PKCUYBDNWZCYHL-UHFFFAOYSA-N	314.389	1.424	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)C1(C)CC1	760282460	CERLWENFCJPOEX-UHFFFAOYSA-N	300.362	1.546	50	20	DDGD	
CC(C)[C@@H](CNCc1ccccc1B(O)O)C(=O)OC(C)(C)C	863889818	JFVVRZRDVDCWGZ-CQSZACIVSA-N	321.226	1.070	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)C1=Cc2cc(F)ccc2OC1	761300876	SGOUAFNKNVDGKK-UHFFFAOYSA-N	304.321	1.939	50	20	DDGD	
CC[C@H](CC(F)(F)F)NC(=O)NNc1nccc(OC)n1	761040289	CSBGSUYKCOPNPV-SSDOTTSWSA-N	307.276	1.842	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1cccc(C)c1)C[C@H]1CCOC1	764196158	AKKMQRFLLLJNNT-CQSZACIVSA-N	319.405	1.114	50	20	DDGD	
N#Cc1cc(F)ccc1N1CCN(S(=O)(=O)CCl)CC1	867817180	VIGALZMJCHOGOD-UHFFFAOYSA-N	317.773	1.345	50	20	DDGD	
CC[C@H]1C[C@H](CC(=O)NNC(=O)Cc2cc(C)[nH]n2)CCO1	869013912	BHJRDFGPQSUTFX-YPMHNXCESA-N	308.382	1.003	50	20	DDGD	
Cc1cc(NNC(=O)Cc2csc3nccn23)nc(C)n1	768134504	WZRROVFIQHJOLH-UHFFFAOYSA-N	302.363	1.488	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2cc3n(n2)CCCO3)c1	762141147	IIMIUZYKBSPKGC-UHFFFAOYSA-N	306.297	1.570	50	20	DDGD	
COc1cccc(OC)c1CC(=O)NN=c1cc[nH]c(C)c1	862513341	RYZIJRMDXYACES-UHFFFAOYSA-N	301.346	1.515	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnc3[nH]cnc3c2)c(O)c1	763945187	KVSJZHQMKBKOBN-UHFFFAOYSA-N	311.301	1.047	50	20	DDGD	
O=C(NN=C1CCS(=O)CC1)c1cnn(-c2ccccc2)c1	761809467	MRTSOUCNMMDEJX-UHFFFAOYSA-N	316.386	1.501	50	20	DDGD	
COCCOCC(=O)NNC(=S)Nc1cc(C)ccc1F	865244275	JNEJRZPADJVVBN-UHFFFAOYSA-N	315.370	1.115	50	20	DDGD	
C=CCOc1cc(OC)ccc1C(=O)NNc1ncc(F)cn1	768324256	XHZTUCMFFBCXMH-UHFFFAOYSA-N	318.308	1.946	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=C2C[C@@H](C)N(C)C2)o1	761812762	RHNQDGDJMJKDEN-GFCCVEGCSA-N	306.410	1.931	50	20	DDGD	
CCCOc1ccc(NC(=O)NNC(=O)CN(C)C)cc1F	861634926	VPWHRLJYEHINOY-UHFFFAOYSA-N	312.345	1.329	50	20	DDGD	
COc1cc(NC(=O)NNCC(F)(F)C(F)(F)F)ccn1	861106031	HLESCZFMNDETHH-UHFFFAOYSA-N	314.214	1.914	50	20	DDGD	
COc1ccsc1S(=O)(=O)NNC(=O)C1CCCC1	760345364	YPYVIDIYZNOFNZ-UHFFFAOYSA-N	304.393	1.256	50	20	DDGD	
CON(C)C(=O)[C@H](C)NC(=O)NNc1ccc(C(C)C)cc1	875894597	SDASZNHDNSIVOQ-NSHDSACASA-N	308.382	1.844	50	20	DDGD	
CCOc1cc(C=NNC(=O)C(=O)OC)ccc1OCC(C)C	1116197726	HKZNXOQUPSOSCT-UHFFFAOYSA-N	322.361	1.743	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2cccn2C)c(F)c1	771932349	XXWKTRZOKRDCRJ-UHFFFAOYSA-N	319.292	1.026	50	20	DDGD	
O=C(C[C@@H]1CCCOC1)NNC(=O)c1nc2ccccc2s1	874914352	UANIXEPBMKECFC-JTQLQIEISA-N	319.386	1.874	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCC2CC2)c(-c2ccccc2)n1	772627810	YNRSNDQUUYWLMQ-UHFFFAOYSA-N	313.361	1.441	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C2(O)CCCCC2)c1	874949744	BYXFYRBGBQHOOJ-UHFFFAOYSA-N	317.414	1.681	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)Cn2ccnc2C)c1	873756543	NGSFRVQNMQNIOS-UHFFFAOYSA-N	317.418	1.826	50	20	DDGD	
CN1C(=O)CN(S(=O)(=O)CBr)c2ccccc21	782469598	VOIZSARLLMHSFV-UHFFFAOYSA-N	319.180	1.152	50	20	DDGD	
CCC(=NNC(=O)NCC(=O)OC)c1ccc(OC)c(OC)c1	779816663	LIMOXTXTAVINTK-UHFFFAOYSA-N	323.349	1.290	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCCC1OCCCO1	777106620	VVSDVEKAVANSSS-RAXLEYEMSA-N	303.314	1.995	50	20	DDGD	
CC[C@@H](C)CC[C@@H](O)CC(=O)NNC(=S)Nc1ccccn1	874956320	SPXSBXZBKGKJMX-VXGBXAGGSA-N	324.450	1.977	50	20	DDGD	
O=C(NNc1ccc(F)cc1)N[C@H]1CCO[C@]2(CCOC2)C1	771442971	NVTGMXUVXBHKCO-DZGCQCFKSA-N	309.341	1.790	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)NCC(F)F)cc1	879759442	LPLXAWVASOMQTH-UHFFFAOYSA-N	303.334	1.683	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc2cnccc12	772164423	GNIYYURZWSYQHD-JTQLQIEISA-N	315.329	1.338	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cccc(OCC(F)F)n1	879207000	HNYPCBAUKHJTCS-UHFFFAOYSA-N	304.253	1.460	50	20	DDGD	
Cc1ncc(C(=O)NNc2ccc(C(F)(F)F)nn2)c(C)n1	777426408	XKBBIEBKGXXHAU-UHFFFAOYSA-N	312.255	1.659	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@@](C)(O)c1cccc(F)c1	1121868337	METQYWMXXASPMK-OAHLLOKOSA-N	311.357	1.410	50	20	DDGD	
Cc1ccc(C(F)(F)C(=O)NNC(=O)Cc2cccnc2)cc1	779915336	XHQNCUFQFBHEIG-UHFFFAOYSA-N	319.311	1.872	50	20	DDGD	
COC(=O)c1cc(NC[C@]2(C)C[C@H]2Br)ncn1	882645642	GXIORCXLHVZMJT-KCJUWKMLSA-N	300.156	1.849	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNc2ncc(F)cn2)cc1F	775673028	FOEINBRIJSIJPG-UHFFFAOYSA-N	323.259	1.690	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=CCCc1ccc2c(c1)CCO2	774348504	CWNVBZUCBCITMG-UHFFFAOYSA-N	303.362	1.181	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)Cc1ccncc1	779676117	QYDLMBKWPPVXRT-UHFFFAOYSA-N	305.359	1.171	50	20	DDGD	
Cn1ncc(Cl)c1C=NNC(=O)c1cccc([N+](=O)[O-])c1	780187005	SCYBJHLQXTVBDO-UHFFFAOYSA-N	307.697	1.746	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2cnnc3ccccc23)cc1O	785416008	RGQLXKFQCPXOAH-UHFFFAOYSA-N	305.297	1.964	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1ccc(NC2CC2)nc1	781806135	VPQYEANISXBNLM-UHFFFAOYSA-N	304.741	1.856	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1cccc2nccn12	788178093	PULHGSOXGJTXEW-UHFFFAOYSA-N	320.316	1.067	50	20	DDGD	
Cn1ccnc(NNC(=O)CCCCc2ccccc2)c1=O	896827411	HCPOMVQNLXASGG-UHFFFAOYSA-N	300.362	1.636	50	20	DDGD	
COCc1ccc(C(=O)NNc2ccc(-n3ccnc3)nn2)cc1	788177073	AZUCALXIVKMFCD-UHFFFAOYSA-N	324.344	1.566	50	20	DDGD	
Cc1cc(C)c(C(=O)NNc2ccccc2S(N)(=O)=O)o1	788229169	UOOZTLFQMKXDGZ-UHFFFAOYSA-N	309.347	1.301	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cccc3c2CCOC3)n1	895275591	IOCOKBYXIHTYOP-UHFFFAOYSA-N	313.361	1.372	50	20	DDGD	
COc1nn(C)cc1C(=O)NNc1nc(C(F)(F)F)cs1	896315778	YLPIJVRKFJCULI-UHFFFAOYSA-N	321.284	1.661	50	20	DDGD	
C[C@@H]1CCCN1CCNC(=O)NNc1cccc([N+](=O)[O-])c1	897473865	HEHQGYOAPIEVLF-LLVKDONJSA-N	307.354	1.705	50	20	DDGD	
C#CCOc1ccccc1NC(=O)NNC(=O)c1cccc(C)n1	797648130	XGLFKUJTGIYAKO-UHFFFAOYSA-N	324.340	1.869	50	20	DDGD	
C=C[C@@H](NNC(=O)c1cc2c(s1)CCCCC2)C(=O)OC	799974977	FXYFLABWUOKRIR-LLVKDONJSA-N	308.403	1.979	50	20	DDGD	
O=C(O)CCOc1cccc(C=NNC(=O)[C@@H]2CCOC2)c1	792653500	IHSPZCXKNRRBTJ-GFCCVEGCSA-N	306.318	1.027	50	20	DDGD	
COCc1cc(C=NNC(=O)c2ccc(OC)c(OC)c2)no1	794860587	OOCUGSUUBDKEJY-UHFFFAOYSA-N	319.317	1.602	50	20	DDGD	
CO[C@@H]1CCN(CC(=O)NNC(=O)c2cccc(C)c2)[C@@H](C)C1	799343743	MYOKDTQETDUQPE-DZGCQCFKSA-N	319.405	1.255	50	20	DDGD	
CN(C)N(C(=O)[C@H]1CCCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1	799863038	MVRFYZSSRSOVPA-QWRGUYRKSA-N	324.393	1.304	50	20	DDGD	
C[C@H]1CCC[C@H]1CNC(=O)NNC(=O)COc1ccccc1F	798509767	XAGNJHYHMCENAD-RYUDHWBXSA-N	323.368	1.971	50	20	DDGD	
COC(=O)NNC(=O)Nc1cccc(OC)c1Br	1321308897	YDUFYOHNQQCNNO-UHFFFAOYSA-N	318.127	1.850	50	20	DDGD	
C[C@@H]1CCN(C(=O)C(=O)NC[C@]2(C)C[C@H]2Br)[C@@H]1C	1328967424	IVLYVODXZJILIF-PRFIWBCESA-N	317.227	1.533	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1ccc(C(=O)OC)cc1	1322954965	STDDVPJIPLOQMS-SECBINFHSA-N	310.375	1.511	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(CNC(C)=O)cc1	1332883339	GETNAMGOXSYETB-UHFFFAOYSA-N	316.361	1.279	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCc2cc(C)no2)cc1	1338029248	WICGEVDBVKSBDH-UHFFFAOYSA-N	304.306	1.136	50	20	DDGD	
C[C@@]1(CNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)C[C@H]1Br	1341970675	CETWZQMKNKWYPS-FOKACVKASA-N	303.200	1.779	50	20	DDGD	
CO[C@H](C=NNC(=O)CCN1CCC(C)CC1)[C@H]1CCOC1	1261373443	FOPRNPSQOBUBKO-LSDHHAIUSA-N	311.426	1.262	50	20	DDGD	
CN(C)C[C@]1(O)CCN(C(=O)[C@@H](Br)C(C)(C)C)C1	1263878868	GMFXQZSYUVNAMD-ZWNOBZJWSA-N	321.259	1.321	50	20	DDGD	
Nc1cnnc(NNC(=O)CC(F)(F)C(F)(F)F)c1Cl	1348560317	COYGFTXPRSZAAW-UHFFFAOYSA-N	319.621	1.743	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc([S@@](C)=O)cc1	1262269679	CQHZUQNYRSYILZ-OAQYLSRUSA-N	307.375	1.380	50	20	DDGD	
CCN(CC)CC[C@@H](C)NC(=O)NNc1nc(C)cc(OC)n1	1342036543	PPYXRZPMDZVXHA-LLVKDONJSA-N	324.429	1.540	50	20	DDGD	
C[C@H]1C(=NNC(=O)c2n[nH]c3c2CCCC3)CC[C@@H]1CC(=O)O	1343881622	ITGDOZSZHXWFLM-NXEZZACHSA-N	318.377	1.895	50	20	DDGD	
CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)Nc1cc(F)cc(F)c1	1358230224	ZVEJZZTVXIFYFP-VXGBXAGGSA-N	313.304	1.933	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@@H]1CC(c2cnn(C)c2)=NO1	1358400266	YDKGMPDRBRIODI-AWEZNQCLSA-N	317.324	1.504	50	20	DDGD	
O=C(O)CCCC(=O)NNC(=O)c1cccc2ccccc12	1601978862	BZFTXSHZDGFPJQ-UHFFFAOYSA-N	300.314	1.856	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CC(C)(C)CC(=O)O)cc1O	1600341302	AYDPGDQPTHLVOG-UHFFFAOYSA-N	308.334	1.353	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNc2ccc(F)c(C(=O)O)c2)n1	1600179378	ZCKTZSXEMSTJER-UHFFFAOYSA-N	306.297	1.481	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)Nc2cncc(F)c2)cc1	1602129095	NURVRWMWWBVKJQ-UHFFFAOYSA-N	304.281	1.996	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H](CC(F)F)C(=O)O	1601046386	UFLDSJDENWBMAC-FZPLPXEFSA-N	310.256	1.524	50	20	DDGD	
O=C(O)Cc1cccc(NC(=O)NNc2cccc(Cl)n2)n1	1602139560	BFUPUTIFDJBXLG-UHFFFAOYSA-N	321.724	1.906	50	20	DDGD	
C=C1CC(C)(C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)C1	1602773442	XYSJYNOCGMIVEY-UHFFFAOYSA-N	317.353	1.778	50	20	DDGD	
Cc1cnn(C)c1NC(=O)NNc1ccc(C(=O)O)c(F)c1	1600636007	XJUOQCCKEGGCKA-UHFFFAOYSA-N	307.285	1.714	50	20	DDGD	
O=C(NNc1ccc(F)cc1)N[C@H]1C[C@H]2C[C@H](C(=O)O)C[C@@H]12	1608480490	LWGCQLYSARZFKV-DTVLGXAZSA-N	307.325	1.951	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cc(C(F)(F)F)n[nH]2)nc1	1602383353	GKCAVJNRKBZCAZ-UHFFFAOYSA-N	315.211	1.279	50	20	DDGD	
CSSCCNS(=O)(=O)CC1(C(=O)O)CCCC1	1607401133	VWKNRHBHLONWSM-UHFFFAOYSA-N	313.466	1.562	50	20	DDGD	
CCN(C(=O)NC[C@@]1(C)C[C@@H]1Br)C1CCNCC1	1577636937	QDGZAMCJPXVQJQ-WCQYABFASA-N	318.259	1.943	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2CCNC3(CCC3)C2)C[C@H]1Br	1576344626	ZTLVTPPLYIHYJT-FOGDFJRCSA-N	301.228	1.951	50	20	DDGD	
CCc1ccc([C@@H](C)CC(=O)NNC(=O)[C@H]2CCCNC2)cc1	1578253826	NIPNHRUECFLWRW-BBRMVZONSA-N	317.433	1.890	50	20	DDGD	
CC(C)CCO[C@@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1589604536	UFOVWGGMHQGBDA-JTQLQIEISA-N	319.369	1.156	50	20	DDGD	
O=C(CCC12CC(CN1)C2)NNC(=O)c1cc(Cl)ccc1O	1580524305	FQYCHABSIXCXII-UHFFFAOYSA-N	323.780	1.339	50	20	DDGD	
C=CC[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1	1841353846	UHTOXAMSONCOCW-RYUDHWBXSA-N	314.813	1.002	50	20	DDGD	
CSSCCNC(=O)c1ccc(-c2nn[nH]n2)cc1C	1591701667	DOJRVJILJTUVLK-UHFFFAOYSA-N	309.420	1.916	50	20	DDGD	
Cn1nc(C(=O)NNc2ncccc2C(=O)O)c2c1CCCC2	1594563710	UAUXTGCIUKGXAO-UHFFFAOYSA-N	315.333	1.149	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C2(C(=O)O)CCSCC2)n1	1594305360	CQYMRNLYFMNTSS-UHFFFAOYSA-N	310.379	1.135	50	20	DDGD	
O=C(NCc1cccs1)NNc1cccc(-c2nn[nH]n2)c1	1593147170	DPKWKRBFMJHEQQ-UHFFFAOYSA-N	315.362	1.755	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)c2ccc(-c3nn[nH]n3)c(O)c2)c1	1592138721	KDENZAXAICSTQK-UHFFFAOYSA-N	324.344	1.946	50	20	DDGD	
COc1cccc(NNC(=O)Nc2cccc(C(=O)O)n2)n1	1599679957	QPIVQHGRLJRJFV-UHFFFAOYSA-N	303.278	1.332	50	20	DDGD	
Cn1nc(C(=O)O)cc1C=NNC(=O)NCCc1cccs1	1594572192	YHQYFRDPMIANTB-UHFFFAOYSA-N	321.362	1.056	50	20	DDGD	
CO[C@@H](C(=O)O)C(=O)NNc1c(C)cccc1Br	1593911916	UGSCCTAWAJPZFK-SECBINFHSA-N	317.139	1.300	50	20	DDGD	
CC(=NNC(=O)c1cccnn1)c1ccc(C(=O)O)c(F)c1	1776103386	GPXMWPACCHKVHZ-UHFFFAOYSA-N	302.265	1.468	50	20	DDGD	
CCCn1ccc(C=NNC(=O)c2cccc(C(=O)O)c2)n1	1776095999	GDXAFUXCHKGGST-UHFFFAOYSA-N	300.318	1.755	50	20	DDGD	
Cc1nsc(C=NNC(=O)N=c2cc[nH]cc2)c1C(=O)O	1776077941	OKHPGNVBASETLA-UHFFFAOYSA-N	305.319	1.122	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2cc(Cl)ncc2C(=O)O)n1	1776057930	QUUCBJNIYJQGET-UHFFFAOYSA-N	318.720	1.901	50	20	DDGD	
O=C(CCOC[C@H]1CCCO1)NNc1cnc2ccccc2n1	163525600	QIBXKLPFKYXYPD-GFCCVEGCSA-N	316.361	1.659	50	20	DDGD	
CC[C@@H](OC1CCCCC1)C(=O)NNC(=O)c1cc(C)n[nH]1	151198524	BNACYZFGJOMBHL-CYBMUJFWSA-N	308.382	1.607	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1cc2occc2[nH]1	151980319	HQTSEMAPMNWNQF-UHFFFAOYSA-N	310.273	1.963	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2occc2Br)[nH]n1	153309095	VWRSSLMCKGNQEY-UHFFFAOYSA-N	313.111	1.148	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	155544935	JZEWBEBMAHMDRN-UHFFFAOYSA-N	302.281	1.002	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1cccc(N2CCCC2)c1	155896423	IMYQHTYMTTYDDR-UHFFFAOYSA-N	305.382	1.001	50	20	DDGD	
CCc1nn(C)c(Cl)c1C(=O)NNC(=O)CC(C)(C)C	155901189	XZONHTQECWYRTO-UHFFFAOYSA-N	300.790	1.833	50	20	DDGD	
CC(C)(C)S(=O)(=O)CC(=O)NNc1ccccc1Cl	159441601	ZDVRXERSVCWKRZ-UHFFFAOYSA-N	304.799	1.996	50	20	DDGD	
CCN(CC)S(=O)(=O)CC(=O)NNc1cc(C)ccc1C	159194191	YSOIULWBYJEZGI-UHFFFAOYSA-N	313.423	1.418	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C\c1ccc(C(=O)O)cc1	208685899	FALAAQHHBXLRSX-UVTDQMKNSA-N	302.330	1.835	50	20	DDGD	
CCNC(=O)NCCNS(=O)(=O)c1ccc(CCl)cc1	313338265	MECYJJSHJBYURV-UHFFFAOYSA-N	319.814	1.023	50	20	DDGD	
CN(Cc1ccn(C)c(=O)c1)NC(=O)OCc1ccccc1	859387891	JIXXZSUVZWTFQD-UHFFFAOYSA-N	301.346	1.659	50	20	DDGD	
CO[C@@]1(C(=O)N(C)NC(=O)OCc2ccccc2)CCSC1	899127332	YDOVUVNHUBWUHK-HNNXBMFYSA-N	324.402	1.808	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccs2)cc1OC	6452006	PMOWRUSIPIDCKH-UHFFFAOYSA-N	306.343	1.840	50	20	DDGD	
N#CC(C#N)=CNCc1ccc(S(=O)(=O)N2CCCC2)cc1	55007600	LXTYAZTZUKXJNN-UHFFFAOYSA-N	316.386	1.492	50	20	DDGD	
C[C@@H]1CCC[C@@H](C)N(C(=O)NNC(=O)Cc2cccnc2)C1	176393495	IOCFPBFIRJGVSJ-CHWSQXEVSA-N	304.394	1.875	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1n[nH]c2ccccc2c1=O	111591645	CKJVAVOVUOKVOT-UHFFFAOYSA-N	314.345	1.264	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H]2C[C@H]2C2CC2)c1	177610615	XCOUZIWIAFUJEL-KBPBESRZSA-N	302.374	1.876	50	20	DDGD	
Cc1nn(C)cc1C(=O)NNC(=O)CCCc1ccccc1	113047202	MMYLQWOCPZIKFB-UHFFFAOYSA-N	300.362	1.512	50	20	DDGD	
COc1cc(CNC(=O)NNc2ccc(C)nn2)ccc1C	106334757	ZCHZVAVHGHTUKN-UHFFFAOYSA-N	301.350	1.928	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCN(C)[C@H](C)CC)cc1	66197172	WCFMJPBVBIAKTP-CYBMUJFWSA-N	320.437	1.923	50	20	DDGD	
CCN1CCC(NC(=O)c2c(C)nn(CCCl)c2C)CC1	118763489	FRKXNNFRHZALDJ-UHFFFAOYSA-N	312.845	1.953	50	20	DDGD	
CCCC[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)c1cnn(C)c1	117964872	GFIXOPZKJUYXIN-YPMHNXCESA-N	307.398	1.723	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNC(=O)CC(C)(C)C	175990975	OFYJSQDBKYRZFA-SNVBAGLBSA-N	308.426	1.799	50	20	DDGD	
CCCc1[nH]ncc1C(=O)NNC(=O)COc1ccc(C)cc1	119215565	YCUANCGNHFFXGN-UHFFFAOYSA-N	316.361	1.511	50	20	DDGD	
CNC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2ccn(C)n2)cc1	179419818	MKFWBLGDUJWTLS-UKTHLTGXSA-N	309.329	1.325	50	20	DDGD	
CNC(=O)/C(C#N)=C/c1cnc2ccc(Br)cn12	172544224	OXZLFNIAXBIGTH-XBXARRHUSA-N	305.135	1.750	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc([N+](=O)[O-])s2)n1	174481982	PGNJXEWBZWUEPE-UHFFFAOYSA-N	309.307	1.520	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C1[C@H]2CCC[C@H]12	178074982	YMEGRRJTNGHGQX-QWRGUYRKSA-N	304.346	1.268	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc3nccn3c2)cc1	68323033	NEOIMWIWTSPZGB-UHFFFAOYSA-N	305.297	1.281	50	20	DDGD	
CN1C[C@@H](C(=O)NNc2cccc(Br)c2)CC1=O	127077003	VMBAVLLBAWRXEM-QMMMGPOBSA-N	312.167	1.371	50	20	DDGD	
CC[C@H](C)[C@@H](C(=O)NNC(=O)C(=O)NC(C)C)c1ccccc1	72937697	DEFYXEBQUZMKSW-GXTWGEPZSA-N	319.405	1.488	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)C(=O)Nc1ccc(F)cc1F	181984554	LMCYLXREHLNQPU-UHFFFAOYSA-N	319.267	1.365	50	20	DDGD	
CN(CCCNC(=O)NNC(=O)[C@@H]1CCCO1)c1ccccc1	79224542	ACKAXMYNVVKWGE-AWEZNQCLSA-N	320.393	1.022	50	20	DDGD	
CCC[C@](C)(O)C(=O)NNC(=O)Cn1ccc2ccccc21	125307361	HROMHSRBWLIXAQ-INIZCTEOSA-N	303.362	1.340	50	20	DDGD	
O=C(NNC(=O)c1c[nH]nc1C1CC1)c1ccc2ccccc2n1	186968843	SZFHJIJUFALMSF-UHFFFAOYSA-N	321.340	1.910	50	20	DDGD	
CC[C@H]1C[C@H](C(=O)NNC(=O)Cc2ccccc2F)CCO1	180121784	INNWXOVBSAWIFO-OLZOCXBDSA-N	308.353	1.721	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	133274114	USGXEKSGNIGRIO-GHMZBOCLSA-N	312.341	1.556	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNc1ncccn1)Cc1ccccc1	49795061	MZLGWNYPNPWNPQ-AWEZNQCLSA-N	314.393	1.276	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)c1	134132833	FTPQRSRXTZCQIQ-UHFFFAOYSA-N	300.274	1.451	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@H]1Cc2ccccc2O1	132694805	LJEHDVIBUJJDRY-MRXNPFEDSA-N	310.353	1.689	50	20	DDGD	
C[C@@H]1CCC[C@@H](C)C1NC(=O)NNC(=O)Cc1cccnc1	86427519	XGWYROZVMYFOGP-VXGBXAGGSA-N	304.394	1.779	50	20	DDGD	
O=C(CN1CCCC1=O)NNc1ccc(OC(F)(F)F)cc1	134257120	YEHRQIYPRGEORW-UHFFFAOYSA-N	317.267	1.651	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1csc2ccc(Cl)cc12	131727861	MEVBGLGQGZKPKS-UHFFFAOYSA-N	304.780	1.884	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N(C)CCOCC2CC2)s1	87064366	WROJNSGDMKNKKE-UHFFFAOYSA-N	311.407	1.769	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)OC(C)(C)C)c1nnc2ccccn12	45252365	XINVHGRUMSWNNB-VIFPVBQESA-N	320.353	1.529	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)[C@H]1CSCCS1	193472637	KVOWWIWFVHRMKR-LLVKDONJSA-N	306.416	1.922	50	20	DDGD	
Cc1c(C(=O)NNC(=O)Cc2ccc(F)cc2)cnn1C(C)C	92214092	HMYYBKJVNCSQID-UHFFFAOYSA-N	318.352	1.915	50	20	DDGD	
CN(CCNS(=O)(=O)c1ccc(CCl)cc1)C1CC1	388536817	MKDXGCROUBIEJT-UHFFFAOYSA-N	302.827	1.798	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(C)c(OC)c1	265911994	ZFCQXRUKNWACNF-UHFFFAOYSA-N	321.377	1.069	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)NC(C)C)c(OCC(=O)O)c1	265238255	SKRGVLWLMQRYAP-WUXMJOGZSA-N	318.329	1.590	50	20	DDGD	
O=C(CCCc1nc2ccccc2[nH]1)NNC(=O)C1CCC1	264804377	URVKGTJAZAOUKW-UHFFFAOYSA-N	300.362	1.833	50	20	DDGD	
CCCCOCC(=O)NNC(=O)CNc1ccc(OC)cc1	265539184	QYKALRPYTOBJAL-UHFFFAOYSA-N	309.366	1.071	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccc(Cl)cc2C1)C1CCC1	264670357	GOHLOHABLLSOFX-LLVKDONJSA-N	308.765	1.839	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCCN2c2ccccc2)n[nH]1	365124808	YSWDONLLXOJBBI-AWEZNQCLSA-N	313.361	1.148	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Cc1ccccc1F)N(CC)CC	265532107	PLBHPZPAVPXGFW-CQSZACIVSA-N	309.385	1.636	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@@H](C)c1ncn(C)n1	275443441	GCYNKHHUKGWOJU-JTQLQIEISA-N	317.353	1.220	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2cscn2)nc1C	272150483	GADSTRPZWKOMRC-UHFFFAOYSA-N	307.335	1.175	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H](OC)C(C)C)c1	272677669	RMQWVFMTNFHEQD-CYBMUJFWSA-N	309.366	1.770	50	20	DDGD	
CC[C@H](C)Oc1ccc(NC(=O)C(=O)NNC(=O)C2CC2)cc1	274063334	NPTLBFVZBBCCSZ-JTQLQIEISA-N	319.361	1.360	50	20	DDGD	
COCCn1cc(NC(=O)NNc2ccc(OC)cn2)cn1	275550310	UWUFURDFQUBFDL-UHFFFAOYSA-N	306.326	1.082	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)C(F)(F)C(F)F)c1	271913755	FQVKQQRRPPRYHO-UHFFFAOYSA-N	314.260	1.434	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H](C)n1nnnc1C(C)(C)C	276771001	SNWUPPFEEFTVBL-SNVBAGLBSA-N	303.370	1.378	50	20	DDGD	
CCO[C@@H](CNC(=O)NNC(=O)C1CCC1)c1ccccc1	278202797	QAZVHVXJNUQBMN-AWEZNQCLSA-N	305.378	1.895	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(OC2CCCC2)nc1	272938083	WMECHLOOTBDCOX-UHFFFAOYSA-N	306.366	1.709	50	20	DDGD	
C=C(CBr)CN1CCC[C@H]1CN1CCOCC1	373837306	QNRRYICATPRXCF-ZDUSSCGKSA-N	303.244	1.734	50	20	DDGD	
CC(C)[C@@H]1NCC[C@@H]1C(=O)NNc1nc(-c2ccccc2)no1	289867794	GUTSBIITEFJFBJ-STQMWFEESA-N	315.377	1.814	50	20	DDGD	
COCCCOCC(=O)NNC(=O)Nc1cccc(Cl)c1	283816787	YOROOIJYSCHLPM-UHFFFAOYSA-N	315.757	1.546	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc(N2CCC2=O)c1	280638299	MKVIMDZZPLSTHQ-UHFFFAOYSA-N	305.338	1.121	50	20	DDGD	
Cc1nc2c(cc1C(=O)NNc1ncccc1F)c(C)nn2C	804219176	RQMXDQWVEVCGIA-UHFFFAOYSA-N	314.324	1.876	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)[C@@H](C)CN2CCCCCC2)nn1	807957588	RHRLZZFESTXDRV-AWEZNQCLSA-N	320.441	1.821	50	20	DDGD	
CCn1c(NNC(=O)[C@H]2CC2(F)F)nc2ccccc2c1=O	294633746	ZQRLTDFPTVDRIM-SECBINFHSA-N	308.288	1.515	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccccc2)n2nc(C)cc2n1	801988286	TWIXEOVHCGFILB-UHFFFAOYSA-N	324.344	1.813	50	20	DDGD	
COc1cccc(SCC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	294147029	HJAXUXDBJIWEOG-GWCFXTLKSA-N	324.402	1.502	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	801111089	KQSOQRZFQPFYOB-YPMHNXCESA-N	321.377	1.142	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc(C(C)C)cn1	291394847	WNXVSNNMMPRFCI-UHFFFAOYSA-N	312.464	1.677	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNC(=O)c1ccccc1O	805165138	WZLLBVWSQCSOIV-UHFFFAOYSA-N	308.334	1.133	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1ncoc1-c1ccccc1	802031452	JICLCJJXLDZJTR-UHFFFAOYSA-N	323.312	1.625	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc2c([nH]1)CCCC2	295336823	HUAQMSOUHVFDPD-UHFFFAOYSA-N	323.393	1.444	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)[C@H]2CCCCO2)cc1C	295761099	QBMNJOPINQWMIN-OAHLLOKOSA-N	320.389	1.789	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1cc2n(n1)CCO2	290834787	XCGYSKJAEXAVDF-UHFFFAOYSA-N	313.239	1.446	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1cccc(C(=O)N(C)C)c1	298689680	WDUJCKDJYJSGEJ-UHFFFAOYSA-N	320.393	1.265	50	20	DDGD	
Cc1nn(C(C)C)c(C)c1CC(=O)NNC(=O)[C@H]1CCCCO1	295360585	JFQMRTPFTKVYME-CQSZACIVSA-N	322.409	1.340	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1-c1nn[nH]n1)C1CCC1	819772650	IIXZHKNXEMXKFR-UHFFFAOYSA-N	314.349	1.538	50	20	DDGD	
CC(C)(CCNC(=O)NNc1cncc(Cl)n1)C(=O)O	818622410	AFBPUQFGIBLRHV-UHFFFAOYSA-N	301.734	1.257	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)[C@H](F)C(F)(F)F	815150289	WWGGRKPBIUBTAL-JTQLQIEISA-N	308.231	1.503	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NC[C@H]1CNCCCO1	817994124	VTWRPYKJECNEGG-ZJUUUORDSA-N	307.232	1.291	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@]2(C)CC2(F)F)cc1	817709581	WEFXLWZVVWGFNZ-ZDUSSCGKSA-N	313.304	1.300	50	20	DDGD	
C[C@H](C=NNC(=O)N[C@H]1CCS(=O)(=O)C1)C1CCCCC1	814816107	NLFBQQSIUFGPCO-YPMHNXCESA-N	315.439	1.675	50	20	DDGD	
COC(=O)C(C)(C)CC=NNC(=O)c1ccc2c(c1)OCCO2	814788747	IWVVLUGLZODASV-UHFFFAOYSA-N	320.345	1.763	50	20	DDGD	
CN(NC(=O)c1cc([N+](=O)[O-])ncc1Br)C1CC1	819652165	DAKVBGCYGKAFEX-UHFFFAOYSA-N	315.127	1.491	50	20	DDGD	
O=C1CC(C(=O)NNc2ncnc3[nH]cnc23)(c2ccccc2)C1	810424402	NLCIZCZAVNRZBF-UHFFFAOYSA-N	322.328	1.097	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NN=C1COc2ccccc21	814730719	SNCLRZPIYIWGHK-UHFFFAOYSA-N	306.325	1.949	50	20	DDGD	
C[C@@H](O)c1ncc(C=NNC(=O)COc2ccccc2O)s1	814950951	FZSRUFJAMMJDCM-SECBINFHSA-N	321.358	1.431	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cc(C(=O)O)c(C)cc1C	814864584	GHNXFZOKENDJJY-GFCCVEGCSA-N	322.361	1.503	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cc2ccccc2o1	812440692	GIQBBUKLQUSAPP-ZDUSSCGKSA-N	315.373	1.851	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cccc(F)c1C	817758488	NPQAAZUDKMBBFP-UHFFFAOYSA-N	312.341	1.684	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1	819846868	CCPJVVHHVVBSJU-ZCFIWIBFSA-N	321.126	1.659	50	20	DDGD	
CC(=NNC(=O)Cn1nc(C)cc1C)c1cc(C(=O)O)cs1	814753199	PXJAGYLCMHEYLA-UHFFFAOYSA-N	320.374	1.800	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)c1cccc2cccnc12)C1CC1	812489328	XUPKOBSDKLGGDG-QGZVFWFLSA-N	313.357	1.811	50	20	DDGD	
CC(C)(C)OC(=O)NC1(C(=O)NNC(=O)C2CC2)CCCC1	727114852	BPIDHPTYIHNASY-UHFFFAOYSA-N	311.382	1.381	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ncccc1OCC(F)(F)F	495823449	OEPYLBWMGONCRD-UHFFFAOYSA-N	307.228	1.366	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2CCCC2)c2c(C)n[nH]c2n1	725883122	CBRKGCJRHZVFSY-UHFFFAOYSA-N	301.350	1.526	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccccc1NC(=O)OC(C)(C)C	823946428	JRDPIIRNNWHMNE-NSHDSACASA-N	323.393	1.991	50	20	DDGD	
COCC(C)=NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	495655754	WXCCJLAZPKEFOZ-LBPRGKRZSA-N	313.398	1.772	50	20	DDGD	
CCCC[C@H]1CCCC1=NNC(=O)[C@@H]1CCS(=O)(=O)C1	727255327	HWTIJLFTFSEXGM-NWDGAFQWSA-N	300.424	1.884	50	20	DDGD	
C#C[C@@H](C)NC(=O)NNC(=O)CCSc1ccc(F)cc1	820441852	YIKBFZXMXMDANJ-SNVBAGLBSA-N	309.366	1.660	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCSC[C@H]2C2CC2)cn1	491006497	DLZVSAINPQFMMW-BLXFFLACSA-N	302.403	1.681	50	20	DDGD	
COCCc1ccc(OCCCC(=O)NNC(=O)C(C)C)cc1	729965919	IRHITQHFOOUOJF-UHFFFAOYSA-N	322.405	1.838	50	20	DDGD	
CC(C)C(=O)NNC(=O)CS[C@H](C)C(=O)OC(C)(C)C	829538905	HPLSAGIZECVTOH-SECBINFHSA-N	304.412	1.253	50	20	DDGD	
C[C@]1(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C[C@@H]1Br	906662683	YPHUSCMGSXBHHZ-GVXVVHGQSA-N	312.211	1.359	50	20	DDGD	
C[C@H](CCS(C)(=O)=O)NC(=O)/C(C#N)=C\c1ccc(O)cc1	491082230	IICSTQVPIPCQOU-NASPGAHYSA-N	322.386	1.239	50	20	DDGD	
C[C@H](CNC(=O)[C@]1(C)C[C@@H]1Br)Cn1cccn1	906218847	OILYWKPBTRZBQF-JFGNBEQYSA-N	300.200	1.809	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2F)CCN1C	826616312	ZQANVUUSSYNKSH-PSASIEDQSA-N	313.760	1.580	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H](C)Cc1ccc(OC)c(OC)c1	495103237	CPVGRTBHTBLAAO-SNVBAGLBSA-N	310.350	1.660	50	20	DDGD	
CN1CCC(C)(CNC(=O)/C(C#N)=C\c2cnn(C)c2)CC1	491160313	KVXBGUCULRYKCI-ZSOIEALJSA-N	301.394	1.175	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1)c1cnccn1	734745536	OEYOHNZHAPXIDS-UPJWGTAASA-N	319.409	1.062	50	20	DDGD	
CN(NC(=O)Cn1nnc2c1CCCC2)C(=O)OC(C)(C)C	496128253	YDKURARBEMJTRN-UHFFFAOYSA-N	309.370	1.055	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CC(C)(C)OC(C)(C)C2)cn1	490978572	WNIQCLKFCYRHCQ-MLPAPPSSSA-N	302.378	1.743	50	20	DDGD	
C[C@@]1(C(=O)NCc2ccc(O)c(O)c2)C[C@@H]1Br	907061400	VFVFFKYIDZUDJB-CMPLNLGQSA-N	300.152	1.888	50	20	DDGD	
OB(O)c1cccc(CNC[C@H]2CCC3(CCCCC3)O2)c1	585037830	LGHMRSDFTINBQH-MRXNPFEDSA-N	303.211	1.338	50	20	DDGD	
CN(CCC(=O)NNC(=O)C(C)(C)C)C(=O)OC(C)(C)C	495744368	GRXMVOYMEPLNCQ-UHFFFAOYSA-N	301.387	1.437	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N(C)C)cc(C(=O)OC(C)(C)C)c1	837376833	RLLISQNREURFOA-UHFFFAOYSA-N	321.377	1.866	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H](C(=O)NNc2ccccc2C(F)(F)F)O1	901867306	XAAIHDRJXFJHKO-ZJUUUORDSA-N	318.251	1.781	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)c2cc3c(s2)CCC3)cn1	733947996	MVEXYXYTPRFTKH-UHFFFAOYSA-N	304.375	1.528	50	20	DDGD	
COc1cc(C)cc(C(=O)NNC(=O)c2ccccn2)c1O	730271181	NHPSJNJDDHQSAO-UHFFFAOYSA-N	301.302	1.179	50	20	DDGD	
O=C(NNc1ccccc1C(F)(F)F)C1(CO)CCOCC1	837328064	VUEIFAJGQIHKIH-UHFFFAOYSA-N	318.295	1.938	50	20	DDGD	
Cc1nc(CCC(=O)NNC(=O)c2ccccc2O)cs1	733356987	YOHHPECVNYGJLA-UHFFFAOYSA-N	305.359	1.551	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2cnn(C)c2)cc1F	735417371	YSBYDFIWZIHORZ-UHFFFAOYSA-N	323.353	1.199	50	20	DDGD	
CC(C)n1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2O)n1	733360171	NKQNOKBQCQCAFJ-UHFFFAOYSA-N	322.752	1.898	50	20	DDGD	
CCCN(Cc1ccc(C)cc1)C(=O)c1cccc(B(O)O)c1	584926896	GAVYDZWHJWNYTM-UHFFFAOYSA-N	311.190	1.727	50	20	DDGD	
Cc1cccc2c1CCN([C@H](C)C(=O)NNC(=O)CC(C)C)C2	732201010	FJFSQXVRJHDRRU-CQSZACIVSA-N	317.433	1.935	50	20	DDGD	
COC[C@H](NCc1ccccc1B(O)O)c1cccc(Cl)c1	585040772	JGXUXJSNQWIEDA-INIZCTEOSA-N	319.597	1.497	50	20	DDGD	
Cn1cc(C=NNC(=O)COc2ccccc2F)c(C2CC2)n1	901132775	FBBCRWPPWMKNJY-UHFFFAOYSA-N	316.336	1.966	50	20	DDGD	
CCCCC[C@H](O)C(=O)NNc1ccc2c(=O)[nH]ccc2c1	831981912	NGEARIFKOJPSOX-AWEZNQCLSA-N	303.362	1.912	50	20	DDGD	
CSSCCNC(=O)N1CCC[C@@H](NC(=O)N(C)C)C1	836448324	SBSPCLOAMILGJC-SNVBAGLBSA-N	320.484	1.443	50	20	DDGD	
NCCCCCCC(=O)NNc1nc(-c2cccnc2)no1	831890409	JEPWHIHFTAHZPY-UHFFFAOYSA-N	304.354	1.484	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CC[C@H](CC2CCCC2)C1	584977491	QPNXIZTWWQRHRM-CQSZACIVSA-N	301.195	1.409	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1	731852601	CNIYTMWEICYDEK-JOYOIKCWSA-N	316.361	1.828	50	20	DDGD	
CC(C)(C)C(C)(C)CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1	838602172	PYGCEGZHHACGPM-CQSZACIVSA-N	319.471	1.440	50	20	DDGD	
CN(C)C(=O)[C@@H]1CCN(/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)C1	839635967	MJJPZUMIJGZBKY-QVYJARAXSA-N	314.345	1.869	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCC(C)(C)C(=O)O	833016591	YZOIEDUJWWDBKR-UHFFFAOYSA-N	301.774	1.579	50	20	DDGD	
COc1cc(S(=O)(=O)NCCCSC#N)cnc1Cl	916985442	CPPKPKOYKKIUAO-UHFFFAOYSA-N	321.811	1.626	50	20	DDGD	
CCOc1cccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	831336831	DBLRTGXWVBVJOL-MFKMUULPSA-N	307.350	1.663	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNc1ccc(C(=O)OC)c(F)c1	837049966	CAMMHYRJHGMWBV-QMMMGPOBSA-N	312.297	1.255	50	20	DDGD	
COc1cccc(NC(=S)NNC(=O)CC(F)(F)F)c1	916163177	VBDPISXOJOMVCA-UHFFFAOYSA-N	307.297	1.965	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)Cn1nc(C)cc1C)C1CCCC1	838702612	GONZJOJCMVVKRB-CQSZACIVSA-N	321.425	1.799	50	20	DDGD	
CCCCCCCCOCC(=O)NNC(=O)N1CCOCC1	741682214	XFWNUZXPVNJZEU-UHFFFAOYSA-N	315.414	1.437	50	20	DDGD	
COCCOCCCCNC(=O)NNc1ccc(Cl)nc1	745793412	PXVZKVNHTVTKTP-UHFFFAOYSA-N	316.789	1.804	50	20	DDGD	
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NNc1ncc(Cl)cn1	912826282	QCSQNGXQXQGKFY-VHSXEESVSA-N	312.757	1.553	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1F	747432205	YLTUMUPAZKARRL-SSDOTTSWSA-N	315.732	1.155	50	20	DDGD	
Cc1csc(NCCNS(=O)(=O)CBr)n1	917587519	IMDJKTCFJWPLJM-UHFFFAOYSA-N	314.230	1.135	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCc1cnn(-c2ccccc2)c1	910179352	LGZMOABNKHPSOK-ZDUSSCGKSA-N	302.378	1.149	50	20	DDGD	
CCn1cncc1C=NNC(=O)c1ccc(OC)cc1OC	841623801	NRHLKOFGGNXYRI-UHFFFAOYSA-N	302.334	1.684	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CC[C@@](O)(CC#N)C1	844015121	DENQZRAEWBYXNP-SKDRFNHKSA-N	303.200	1.673	50	20	DDGD	
N[C@H](CNC(=O)NNC(=O)CCCc1ccccc1)C1CC1	841965881	KZMGKCRSRYOSJP-CQSZACIVSA-N	304.394	1.077	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNc1ccc(CC(=O)OC)cc1	846375781	KBOPPCKETHRNRO-IAQYHMDHSA-N	308.378	1.906	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)CC2CCC2)cc1	745572591	BFNKWPLDXZOVIZ-UHFFFAOYSA-N	304.346	1.489	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=Cc2cnc3cnccn23)cc1	746370166	HCTNUXXOMMVGDW-UHFFFAOYSA-N	320.312	1.130	50	20	DDGD	
CO[C@@]1(C=NNC(=O)[C@H](C)CN2CCCCCC2)CCOC1	841614719	QFEQPOMMRGGBTO-GDBMZVCRSA-N	311.426	1.406	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1OCC(=O)NNc1ncnc2[nH]cnc12	743471097	QOLQMZQSZINBJG-ZJUUUORDSA-N	304.354	1.391	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cnn(C)c2C(F)F)n1	746634773	PPZBBNNVJLTOKN-UHFFFAOYSA-N	312.280	1.222	50	20	DDGD	
Cc1nnc(COC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)o1	913287237	YBAHXFDQMUXXGI-UUILKARUSA-N	311.301	1.547	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccc(Br)cc1	840999487	JKMVRYLTWQZDCL-UHFFFAOYSA-N	315.171	1.341	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc(Cl)c(F)c1	844650985	RKQADHYMIPIYIE-ZETCQYMHSA-N	308.762	1.835	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@H]1CCN(CC(F)(F)F)C1	747307691	CUUWVPHSESBMEI-JTQLQIEISA-N	322.331	1.144	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)COc2ccc(OC)cc2)[C@H]1OC	841606941	NYCODALBHSICHX-GDBMZVCRSA-N	322.361	1.370	50	20	DDGD	
CC1=C(C)C[C@@H](C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)CC1	843519369	DFXVVVZMGKKWII-UONOGXRCSA-N	314.451	1.615	50	20	DDGD	
Cc1ccc2c(c1)O[C@@H](C)CN2CC(=O)NNC(=O)C(C)(C)C	748835165	VZHDXLJBGWKUNN-LBPRGKRZSA-N	319.405	1.776	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)C[C@H]1N	846682708	SVNPHNUIEIPKNK-OOTJXSFTSA-N	301.228	1.746	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	919972689	JTNAVIKACLCHKG-MFKMUULPSA-N	312.341	1.556	50	20	DDGD	
CCn1ncc(C=NNC(=O)c2ccc(OC)c(OC)c2)n1	841605727	SVVJXTPXVBBBIA-UHFFFAOYSA-N	303.322	1.079	50	20	DDGD	
Cc1cc(NNC(=O)[C@]2(O)CCOC2)ccc1Br	840401411	JWTPLRBRVDDDKH-LBPRGKRZSA-N	315.167	1.352	50	20	DDGD	
C[C@H]1CN(CCC(=O)NNC(=O)[C@@H]2C[C@H]2C2CCC2)C[C@@H](C)O1	846630226	QZWLQMYCVRUENF-MYZSUADSSA-N	323.437	1.069	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CSc1ccc(O)cc1	843979507	OQYKZDXFVHWEJF-SKDRFNHKSA-N	310.375	1.057	50	20	DDGD	
C[C@@H](NC(=O)NN=c1sc2ccccc2n1C)[C@H]1CCOC1	743652429	VCSQBMFQUFBNNR-MNOVXSKESA-N	320.418	1.780	50	20	DDGD	
CO[C@H](C=NNC(=O)COc1ccc(F)cc1)[C@H]1CCOC1	841613142	SVSXGKGKVZKOBP-SMDDNHRTSA-N	310.325	1.358	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@H](C)c2ccco2)cc1	743298361	UEPDEOZDQDVDJL-LLVKDONJSA-N	317.345	1.651	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc(N2CCCC2)nc1	920933551	VUMHJVWLFRQSRA-UHFFFAOYSA-N	305.382	1.881	50	20	DDGD	
CC[C@H]1CCc2ccccc2N1CC(=O)NNC(=O)C1CC1	748837231	AXYGVPFMBPDFRT-AWEZNQCLSA-N	301.390	1.775	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccccc1OC(F)F	920833587	PTCIVOLKYJNCFC-UHFFFAOYSA-N	301.293	1.958	50	20	DDGD	
CO[C@H](C(=O)NNc1nc2ccccc2n1C)c1cnn(C)c1	848380660	NHIUGDRTBMFFBE-ZDUSSCGKSA-N	314.349	1.138	50	20	DDGD	
Cc1cccc2c1CN(CC(=O)NNC(=O)C(C)(C)C)CC2	759881860	ZAOZFIWDCFLPKT-UHFFFAOYSA-N	303.406	1.547	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccccc1OCCC(N)=O	756068025	VYWLBHXYPNSGPB-JTQLQIEISA-N	322.365	1.140	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccc2n[nH]cc2c1	855093057	HIMXWHXCUDGLMM-UHFFFAOYSA-N	303.391	1.472	50	20	DDGD	
C[C@@H](C(=O)NNc1ncc(F)cn1)c1ccc([N+](=O)[O-])cc1F	755637091	BKQFPAZJOJNWKU-SSDOTTSWSA-N	323.259	1.910	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1ccnc(Cl)c1)C1CCCC1	855469722	PNGXHEXXIAYHGQ-ZDUSSCGKSA-N	310.785	1.873	50	20	DDGD	
CC(C)C1(O)CN(C(=O)NC[C@@]2(C)C[C@H]2Br)C1	856959112	QXIQDMNKPKOHMX-MWLCHTKSSA-N	305.216	1.572	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C1C(C)(C)C1(C)C	854282230	GNFVFNDWVSBZSN-UHFFFAOYSA-N	301.456	1.543	50	20	DDGD	
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	852467109	FKMUVINDKAQKPJ-SNVBAGLBSA-N	323.372	1.038	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NCC(Cl)Cl	854452624	VNKYLKFMTMCSNY-PSASIEDQSA-N	306.193	1.808	50	20	DDGD	
C[C@@]1(CCC(=O)NNc2ccc([N+](=O)[O-])cc2)CCC(=O)N1	753431231	USIRMOZUWAFKHL-AWEZNQCLSA-N	306.322	1.487	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1cnn(C(F)F)c1	757867593	SUXKYFFZFMJBLC-UHFFFAOYSA-N	301.175	1.383	50	20	DDGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNC(=S)N[C@H](C)C2CC2)c1	855100452	BZADIEQKSGVVLP-SECBINFHSA-N	322.390	1.811	50	20	DDGD	
Cc1cccc2c1OCCC2=NNC(=O)C(=O)Nc1ccccn1	758387339	KBZOIIKMBGUVRA-UHFFFAOYSA-N	324.340	1.632	50	20	DDGD	
CNC(=O)[C@H]1CCC[C@H]1NC(=O)NNc1cc(F)ccc1C	853934148	PIBZYTFFTZCNMO-NWDGAFQWSA-N	308.357	1.675	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=Cc1cnc2ncccn12	755540055	DBMBIQJOYLKOTE-UHFFFAOYSA-N	320.312	1.130	50	20	DDGD	
CCOC(=O)NC1CCC(=NNC(=O)c2ncccn2)CC1	853359245	LAXSHSRYOLTKRU-UHFFFAOYSA-N	305.338	1.251	50	20	DDGD	
Cc1cc(OC(=O)[C@H]2CCCCS2(=O)=O)ccc1[N+](=O)[O-]	753626134	PJZMDSAVWZEWFT-GFCCVEGCSA-N	313.331	1.776	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NCC1(C)CCCCC1	757741904	KXAHSKVKPFLNDL-GFCCVEGCSA-N	315.414	1.339	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1cnn(C[C@@H]2CCCO2)c1	756737942	CZLUHDNIMKNIBJ-LBPRGKRZSA-N	307.354	1.015	50	20	DDGD	
CCN1CCC[C@@H](NC(=O)NNc2c(F)cccc2F)C1=O	925970757	ONHHFUDUFIPLOS-LLVKDONJSA-N	312.320	1.602	50	20	DDGD	
O=C(CCC[C@@H](O)c1ccccc1)NNC(=O)CC(F)(F)F	854997252	BDJNTRPVJZEJKT-LLVKDONJSA-N	318.295	1.990	50	20	DDGD	
C[C@H]1CC[C@H](C)N1CC(=O)NNc1ccc(C(F)(F)F)nn1	755184582	XQKNDEXWVZDUMQ-IUCAKERBSA-N	317.315	1.811	50	20	DDGD	
C[C@]1(CNC(=O)N[C@H](CN)C2CCCC2)C[C@H]1Br	857103582	LLOFPIDEBGQDAB-NQBHXWOUSA-N	318.259	1.977	50	20	DDGD	
Cc1csc(C=NNC(=O)COc2ccc(C#N)cc2)n1	755510416	HAYQKNPRMAMWPX-UHFFFAOYSA-N	300.343	1.852	50	20	DDGD	
CC(C)c1nn(C)cc1C(=O)NNC(=S)NCC1CCC1	855092183	ULWLLDHRSDJAKP-UHFFFAOYSA-N	309.439	1.453	50	20	DDGD	
COc1cccc(OC)c1CC(=O)NNC(=O)C1CCCC1	756911048	IMGCXIQMDLDJGR-UHFFFAOYSA-N	306.362	1.584	50	20	DDGD	
C[C@H]1c2ccc(Cl)n2CCN1C(=O)c1ccc(B(O)O)cc1	863882459	HUDBQAZPNVCGOB-JTQLQIEISA-N	318.569	1.038	50	20	DDGD	
CCCN(NC(=O)[C@H](C)[C@@H]1CCC(=O)N1)C(=O)OC(C)(C)C	861678321	XXLOMJAOVIUINX-MNOVXSKESA-N	313.398	1.579	50	20	DDGD	
Cc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)c1ccccn1	765884887	FVACIYWKIIXNBP-UHFFFAOYSA-N	300.274	1.373	50	20	DDGD	
CC(C)C1(C(=O)NNC(=O)c2cccc3ncccc23)COC1	932187058	JVZYJXTXVPLUFT-UHFFFAOYSA-N	313.357	1.668	50	20	DDGD	
C[C@](NC(=O)NNc1ncncc1F)(C1CC1)C(F)(F)F	933571902	KKMQJWWFLVUMEI-JTQLQIEISA-N	307.251	1.973	50	20	DDGD	
COc1ccc([C@@H](C)CC(=O)NNC(=O)c2cn[nH]c2)cc1	862472716	RVQQFXFAPDTBJZ-JTQLQIEISA-N	302.334	1.373	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccc(Cl)c2cccnc12	760240273	WPYQIQYERUPLPK-UHFFFAOYSA-N	318.764	1.863	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNC(=O)CNc1ccc(OC)cc1	863853400	GOZKFKLQNVPCLF-AWEZNQCLSA-N	323.393	1.460	50	20	DDGD	
O=C(NNC(=O)c1cccnc1C(F)(F)F)c1ccccn1	765460932	WJFLMYAEZKBBQR-UHFFFAOYSA-N	310.235	1.570	50	20	DDGD	
COC(=O)c1cc(C(=O)NNC(=O)[C@H]2CCCCO2)ccc1C	868618797	AMGOZPMDGQYTSR-CYBMUJFWSA-N	320.345	1.112	50	20	DDGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NNCC(F)(F)C(F)(F)F	863099317	JYJKHWSTFKPZNK-XPUUQOCRSA-N	319.274	1.356	50	20	DDGD	
COCCC(Cc1cccc(F)c1)=NNC(=O)c1cn[nH]c1	863154709	JPIMGLGLRYDYNU-UHFFFAOYSA-N	304.325	1.914	50	20	DDGD	
C[C@H](NNC(=O)C[C@H]1C(=O)Nc2ccccc21)C(F)(F)F	862308532	FARIQLARXFFLAY-IONNQARKSA-N	301.268	1.684	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)NCC(F)(F)F)c1ccc(F)cc1	861515412	ZFWNCZLIMPYXLM-VIFPVBQESA-N	323.246	1.406	50	20	DDGD	
Cc1ncn(-c2ccc(NCc3cccc(B(O)O)c3)cc2)c1C	864038766	WDQZMPKAQNSNEA-UHFFFAOYSA-N	321.189	1.781	50	20	DDGD	
Cc1cccc(C)c1OCCC(=O)NNC(=O)c1cn[nH]c1	862473081	DIJURZZYQXZSHE-UHFFFAOYSA-N	302.334	1.257	50	20	DDGD	
CC1(C)C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc[nH]3)cc21	768924731	GCPWYFIZCJFBBO-UHFFFAOYSA-N	312.329	1.319	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=Cc1csc(Cl)c1Cl	863186707	IQGOIJFDGTUISQ-UHFFFAOYSA-N	315.203	1.550	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=CCSCc1ccccc1	863186768	KYPYLTYCVCKPKF-UHFFFAOYSA-N	300.405	1.066	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1cc(C2CC2)on1	766662340	KSUTVXVZIKRLAK-UHFFFAOYSA-N	321.358	1.712	50	20	DDGD	
C#CCOc1cccc(Cl)c1C=NNC(=O)COCCOC	872401258	MVMHIJBQZIONMF-UHFFFAOYSA-N	324.764	1.465	50	20	DDGD	
COc1cc(C(=O)N2CCN(C(=O)CCl)CC2)ccc1C	1116434354	SEBSEBYRXMXJRU-UHFFFAOYSA-N	310.781	1.527	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@H]2CCC=CO2)cn1	874954377	SWEDVYGCNILSJT-SNVBAGLBSA-N	308.363	1.101	50	20	DDGD	
CCCn1cc(C=NNC(=O)CNc2ccccc2F)nn1	872328574	YEKXKWHSQQSZTJ-UHFFFAOYSA-N	304.329	1.389	50	20	DDGD	
O=C(NNC(=O)C1CC(F)(F)C1)c1cncn1-c1ccccc1	1116230167	SWIPBPZEAFQVRN-UHFFFAOYSA-N	320.299	1.679	50	20	DDGD	
Cn1cccc1C(=O)NN=Cc1ncc(C2OCCO2)s1	773033106	TXVDGJPSWCQJAC-UHFFFAOYSA-N	306.347	1.291	50	20	DDGD	
COCC[C@@H](Cc1ccco1)NC(=O)NN=c1cc[nH]c(C)c1	875482432	FQSIPQOYWKTWCU-ZDUSSCGKSA-N	318.377	1.679	50	20	DDGD	
CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)NNC(=O)c1cccc(Cl)c1	872832115	UOMHDDJNFRDPNS-NXEZZACHSA-N	310.737	1.458	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C1=CCCCO1	772953711	NUHOBBZTLRMKPL-JTQLQIEISA-N	324.764	1.949	50	20	DDGD	
Cc1csc(C(=O)NN=Cc2cn(C[C@H]3CCCO3)nn2)c1	872392710	VXUPFRAUZKETTA-GFCCVEGCSA-N	319.390	1.591	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCN(C)Cc1ccc(F)cc1	875345996	YIQBMAKPIZJQBO-UHFFFAOYSA-N	312.345	1.170	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H]2CCC=CO2)c1	777840536	AIJANAPNQQUPRB-ZDUSSCGKSA-N	304.346	1.522	50	20	DDGD	
CSC[C@H](CCO)NS(=O)(=O)c1ccc(CCl)cc1	1119671800	OBMVBSMTAWCQJH-NSHDSACASA-N	323.867	1.818	50	20	DDGD	
Cc1nnc2n1C[C@@H](C(=O)NNc1ccc3ccccc3n1)CC2	777466465	AKQMAWRGQKHSCN-ZDUSSCGKSA-N	322.372	1.840	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1ccnc(Br)c1)N(C)C	771549832	YRSZIJUREWUTQJ-LLVKDONJSA-N	315.215	1.873	50	20	DDGD	
CCO[C@@H](C)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874950434	CLGMJEIWJXGFAE-JTQLQIEISA-N	310.423	1.495	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1nc2ccc(Cl)cc2n1C	779824082	XDARJCRRDOGAIB-UHFFFAOYSA-N	323.740	1.033	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNc2ncc(F)cn2)ccc1F	775532358	NQNVDTRQOASFCO-UHFFFAOYSA-N	323.259	1.690	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](CC)c1ccccc1	771870754	PRNOZJGRHQMCPG-DGCLKSJQSA-N	306.362	1.669	50	20	DDGD	
CC(C)[C@H]1CC(=NNC(=O)CNC(=O)c2cccs2)CCO1	776768083	ZQLHQJAAMPTMQR-GFCCVEGCSA-N	323.418	1.785	50	20	DDGD	
CC(C)(O)c1ccc(CNC(=O)NNC(=O)C2CCCC2)cc1	776193040	WYLRXSQDHQPMBY-UHFFFAOYSA-N	319.405	1.935	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](C[C@H]1CCCO1)C(F)(F)F	887150284	FAQCFJYVVXVGQL-MNOVXSKESA-N	320.311	1.685	50	20	DDGD	
O=C(NNc1cnccn1)c1ccc2nc(C(F)(F)F)cn2c1	771736201	YVSXRDSNKARPCC-UHFFFAOYSA-N	322.250	1.900	50	20	DDGD	
CCCNC(=O)NNC(=O)Cc1c[nH]c2cccc(OCC)c12	782671612	NLVACNLQGRNIOR-UHFFFAOYSA-N	318.377	1.850	50	20	DDGD	
O=C(Cc1cccc([N+](=O)[O-])c1)NNc1ncncc1Cl	781815307	UJNYUBAOWGRNCC-UHFFFAOYSA-N	307.697	1.724	50	20	DDGD	
CC(C)C[C@H]1CCCN(C(=O)NNC(=O)c2cccnn2)C1	883851487	SZASPQBAWXQJGX-GFCCVEGCSA-N	305.382	1.589	50	20	DDGD	
Cc1cn(-c2ccccc2)nc1NC(=O)NNC(=O)C(C)C	782568901	PXWFNYNQESOGQI-UHFFFAOYSA-N	301.350	1.989	50	20	DDGD	
CC(C)Oc1ncccc1C(=O)NNC(=O)C1CCOCC1	883070234	JXEXGWYMYMMVCG-UHFFFAOYSA-N	307.350	1.056	50	20	DDGD	
O=C(NNC(=O)N1C[C@H]2C=C[C@H]1C2)c1cccc(OC(F)F)c1	883476186	PIUFEFYZDPLHLZ-ONGXEEELSA-N	323.299	1.903	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)NN=c1cc[nH]cc1	897346791	ZQWHYDSYJPNHDT-CYBMUJFWSA-N	320.393	1.640	50	20	DDGD	
C#Cc1cncc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1	798149584	BQLRKZFSUNASOH-UHFFFAOYSA-N	310.269	1.046	50	20	DDGD	
CNc1snc(C)c1C(=O)NNC(=O)c1cccc(C)n1	794089769	JQTILROZGRUNOE-UHFFFAOYSA-N	305.363	1.271	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CCCn1cncn1	798310810	WDQVJQKKRFFDAE-UHFFFAOYSA-N	302.338	1.220	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)n2cncn2)c2ccccc2n1	799008063	LXNIVDPHSFRZAB-LLVKDONJSA-N	324.344	1.157	50	20	DDGD	
Cn1cc2c(n1)CCC[C@@H]2C(=O)NNC(=O)NC1CCCC1	798938000	XYEBIOFMKFQGPL-NSHDSACASA-N	305.382	1.113	50	20	DDGD	
CC[C@H](C)CC[C@H](O)CC(=O)NNC(=S)NCCSC	793763970	DLNOINADMPQIQH-QWRGUYRKSA-N	321.512	1.422	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNC(=O)CC(F)(F)F	792253633	GDCUCWSPSPETJN-UHFFFAOYSA-N	305.256	1.502	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cccnc2F)cc1	791198794	AFZKUTWLQRLGHF-UHFFFAOYSA-N	303.293	1.369	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H](C)c1cccc(OC(C)C)c1	1318882541	NPOXXKIVXFOZQO-JTQLQIEISA-N	323.349	1.038	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H](C)OC[C@@H]2CCCO2)cc1	1318035404	WUKXWJCEBZGBBM-RISCZKNCSA-N	322.361	1.040	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2Cl)CCN1C	1318836014	GXRPHNVKHUFKRH-GHMZBOCLSA-N	324.812	1.767	50	20	DDGD	
N#CC1(C(=O)NNC(=O)c2cncn2-c2ccccc2)CCCC1	1317803273	KVJFZDCSMBOABI-UHFFFAOYSA-N	323.356	1.717	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNc2cncc(Br)c2)CO1	1326081959	CVKFGGMTAWOWGS-YUMQZZPRSA-N	300.156	1.712	50	20	DDGD	
Cc1csc([C@@H](NCC(=O)NNC(=O)C2CC2)C2CC2)n1	1320219420	DCOCMAVQHNWWPM-LBPRGKRZSA-N	308.407	1.050	50	20	DDGD	
COCCC(Cc1cccc(F)c1)=NNC(=O)C[N+](C)(C)C	1321099401	HBUNBLXWTNSHFA-UHFFFAOYSA-O	310.393	1.583	50	20	DDGD	
CC(=O)N[C@H](CC(=O)NNc1ccncn1)c1ccc(C)cc1	1325246685	FLTJYEQYBVQXAG-CQSZACIVSA-N	313.361	1.496	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C2CCOCC2)cnn1C1CCCC1	1330830036	NCHALBJFTJHULX-UHFFFAOYSA-N	320.393	1.494	50	20	DDGD	
COc1ccc2cc(C(=O)NNC(=S)NC(C)C)cnc2c1	1333217939	IESVGXRWODDUKJ-UHFFFAOYSA-N	318.402	1.761	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)[C@@H]1COc2ccc(F)cc2C1	1261335002	HIUDYFYGFMVJTN-FZMZJTMJSA-N	322.336	1.093	50	20	DDGD	
O=C(NNC(=O)c1ncccn1)N[C@@H]1CCCc2ccccc21	1340973912	TTXUUSMFHGXMQH-CYBMUJFWSA-N	311.345	1.498	50	20	DDGD	
O=C(CN1CCC(CO)CC1)NNc1ccc(F)cc1Cl	1262642368	CFYJFJSSTZHWBR-UHFFFAOYSA-N	315.776	1.627	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@H]2CCCn3ncnc32)c1F	1602448077	MFGMINCQDULQMP-VIFPVBQESA-N	319.296	1.136	50	20	DDGD	
O=C(C[C@H]1CCCC(=O)N1)NNc1ccc(C(=O)O)cc1F	1601250064	IMCDHTRELSGLIS-SECBINFHSA-N	309.297	1.026	50	20	DDGD	
Cc1cc(C)c(C(=O)NNc2ccc(C(=O)O)c(F)c2)c(O)n1	1607613060	HEJMOJGSVWUQOH-UHFFFAOYSA-N	319.292	1.998	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ccnc(C(=O)O)c1	1606622261	QYTLIAAZZAKYOS-UHFFFAOYSA-N	315.285	1.323	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1cccc(C(=O)O)c1	1600978894	VGMQZCKGGCMSRU-UHFFFAOYSA-N	302.290	1.190	50	20	DDGD	
O=C(NN=Cc1cc(C(=O)O)no1)c1ccc(O)c(Cl)c1	1601553124	VASKHXAANOSFCM-UHFFFAOYSA-N	309.665	1.496	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NC1(C(=O)O)CCOCC1	1601045792	KAUQZHWWTMXYFC-FMIVXFBMSA-N	316.313	1.049	50	20	DDGD	
C[C@@H](/C=C\C(=O)O)NS(=O)(=O)c1ccc(CCl)cc1	1604061768	WYAAXPRTNARWAS-HKQQGCEUSA-N	303.767	1.733	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)C1(Br)CC1	1602231401	ZRWWCZCRFGSQAE-UHFFFAOYSA-N	317.114	1.895	50	20	DDGD	
O=C(CNC(=O)C1CC1)NNc1ccc(C(=O)O)c(Cl)c1	1610666363	UKLJJRINCYGRSM-UHFFFAOYSA-N	311.725	1.008	50	20	DDGD	
CO[C@H](C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)C1CCCCC1	1549316205	RURUAQCMWUQXJI-XHSDSOJGSA-N	323.437	1.547	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@@H]1C(=O)NN=C1CCC[C@@H]1F	1549903947	DPRGLKPMRDDSAF-GMXVVIOVSA-N	308.357	1.882	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NN=C1CCCN2CCCC[C@@H]12	1552253400	HPSOERZOUPYAAG-GJZGRUSLSA-N	306.454	1.980	50	20	DDGD	
CC[C@H](C)O[C@H]1CS(=O)(=O)C[C@H]1I	253141894	XKOZNRFBXIIFCD-RNJXMRFFSA-N	318.176	1.402	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC[C@@H](CN)c2ccccc21	1575106711	SYWWUZKRUITDPW-LBPRGKRZSA-N	318.421	1.133	50	20	DDGD	
O=C(O)CC[C@H]1C[C@@H](C(=O)NNc2ccc(F)cc2F)CO1	1595006553	SRFAFDVBJXGDCM-SCZZXKLOSA-N	314.288	1.678	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1Cc2ccccc2[C@@H](C(=O)O)C1	1596859462	CHFJICAFLLQOFO-HCYCVZQXSA-N	300.314	1.641	50	20	DDGD	
N#CC[C@@H](NC(=O)NNc1ncccc1C(=O)O)C(F)(F)F	1594605636	GKJNNCSQVIGVGD-SSDOTTSWSA-N	317.227	1.250	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@H]1C[C@@H](C(=O)O)C1	1591923364	NKYAIRHLHQQAPK-OCAPTIKFSA-N	312.757	1.807	50	20	DDGD	
CCc1[nH]c(C(=O)NN=c2cc[nH]cc2C)c(C)c1C(=O)O	1597384840	JHNOTOLAEODZLD-UHFFFAOYSA-N	302.334	1.466	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNc1cccc(-c2nn[nH]n2)c1	1591326346	BNYPWSPRWXNSPJ-LBPRGKRZSA-N	304.354	1.371	50	20	DDGD	
CN1C(=O)C(=NNC(=O)c2cccc(C(=O)O)c2)c2ccccc21	1776094844	OJRSSOYHKCYWSL-UHFFFAOYSA-N	323.308	1.495	50	20	DDGD	
CC(=NNC(=O)c1ccc(O)nc1)c1cncc(C(=O)O)c1	1776094313	MHWRBJPKGOVACZ-UHFFFAOYSA-N	300.274	1.034	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NN=Cc1cccc(C(=O)O)c1Cl	1776102335	NLNHCIZLIOVKDA-MNOVXSKESA-N	310.737	1.913	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc[nH]1)[C@@H](F)Cl	1798678393	RKCPLNWMYJCDFY-DTHBNOIPSA-N	313.760	1.801	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C(C)(C)C)cc(OC)c1OC	5726556	CYQGFCTUJDNMGA-UHFFFAOYSA-N	310.350	1.520	50	20	DDGD	
CC[C@H](C)CN(CC)CC(=O)NNC(=O)c1cccc(C#N)c1	166268126	VVPGVVYUZXBRRN-ZDUSSCGKSA-N	316.405	1.687	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cccnc1-n1cccn1	151531962	YIXQOPYRBFJHMD-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
CCN(CC(=O)NNc1nc(-c2ccncc2)no1)C1CC1	151980213	RXYGNXXHPSNAAB-UHFFFAOYSA-N	302.338	1.059	50	20	DDGD	
CO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1ccc(C#N)cc1	152917917	JLOJKUANHYOFHT-CHWSQXEVSA-N	302.334	1.070	50	20	DDGD	
C/C=C/C=C/C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	8271212	POMIRWQNEJPGBK-BSWSSELBSA-N	320.345	1.606	50	20	DDGD	
NC(=O)[C@@H](NS(=O)(=O)CCCCCl)c1ccc(F)cc1	155271240	QHXSLEXJPOIQIL-NSHDSACASA-N	322.789	1.291	50	20	DDGD	
CO[C@@H]1CCC[C@H]1NC(=O)NNc1ccc(C(C)(C)C)nn1	155743911	ZREPOJDOTNIIPZ-GHMZBOCLSA-N	307.398	1.968	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)c2cccn2C)cccc1[N+](=O)[O-]	159846335	XCHXFZLONBRSKP-UHFFFAOYSA-N	316.317	1.245	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cccn2C)ccc1[N+](=O)[O-]	159175208	UBVCVMRGAYAFGN-UHFFFAOYSA-N	318.289	1.017	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NCc1ccccn1	55084129	MOEBINBWUAWIAO-UHFFFAOYSA-N	314.345	1.163	50	20	DDGD	
CC(=O)N(CCC(=O)NNC(=O)C(C)(C)C)Cc1ccccc1	101856625	HPLGBAVIJLRMJE-UHFFFAOYSA-N	319.405	1.619	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1c2ccccc2CC[C@@H]1C	179631658	DSRGBSZHANBWTR-XHDPSFHLSA-N	305.378	1.677	50	20	DDGD	
O=C(CC[C@H]1CCCCO1)NNC(=O)c1cccc([N+](=O)[O-])c1	110153957	HQAFHOPLBATZPN-CYBMUJFWSA-N	321.333	1.705	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)CC1CCOCC1	117231703	ILYULPLKHOAFLU-UHFFFAOYSA-N	315.373	1.675	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCc2ccccc2C1	109824251	JXBSSLMYKZHPCA-CYBMUJFWSA-N	303.406	1.627	50	20	DDGD	
COc1cccc(C2(C(=O)NNC(=O)N(C)C)CCCC2)c1	108789730	CJTXYTOACRCSAF-UHFFFAOYSA-N	305.378	1.809	50	20	DDGD	
CC(C)[C@@H](SCc1ccccc1)C(=O)NNC(=O)CN(C)C	113427617	NMDLGAGOQNDLTL-OAHLLOKOSA-N	323.462	1.653	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)[C@@H]1Cc2cc(F)ccc2O1	173703629	XHGLAFQACSVVTP-JTQLQIEISA-N	308.700	1.716	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)[nH]n1	54125350	OVJSRUMTKQVMFX-UHFFFAOYSA-N	302.378	1.696	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@](C)(O)c2ccco2)s1	175914090	PDZFNVISMDTTHE-CQSZACIVSA-N	323.374	1.501	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1csc(-n2c(C)ccc2C)n1	65189666	AXBUWSPOLFIBFF-UHFFFAOYSA-N	321.406	1.443	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1	171770020	TUAIZKYZNVUXGA-CYBMUJFWSA-N	323.368	1.986	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccon2)c1C	67285713	FMNAQNWMAGEBAC-NSHDSACASA-N	303.318	1.520	50	20	DDGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)C1=COCCO1	170814021	PZJLFVYXQKNWOT-UHFFFAOYSA-N	317.128	1.643	50	20	DDGD	
CCC(CC)N1C[C@H](C(=O)NNc2cc(C)ncn2)CC1=O	172276944	HAAHTZVJTVLWNT-LLVKDONJSA-N	305.382	1.265	50	20	DDGD	
O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1cc[nH]c1	68333217	LTIOOBZRVOAPQW-UHFFFAOYSA-N	320.374	1.212	50	20	DDGD	
CSC(C)(C)CNC(=O)NNC(=O)c1cccc(N(C)C)c1	174360190	SCVQWWRLQLBZLL-UHFFFAOYSA-N	324.450	1.838	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccc(Cl)cc2C1)NC1CC1	64429185	IDQRSTZVVVXBJI-VIFPVBQESA-N	309.753	1.384	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2c(C)cccc2F)cn1	187446771	HZUOLTAIMXNETH-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cccc2c3c([nH]c12)CCCC3	75653683	PUNBGLKJVRMBBN-UHFFFAOYSA-N	314.389	1.369	50	20	DDGD	
O=C(COc1cc(Cl)cc(Cl)c1)NNC(=O)NC1CC1	79759756	GKPZBPHPZHXAEL-UHFFFAOYSA-N	318.160	1.865	50	20	DDGD	
CNC(=O)NNC(=O)/C=C/c1cccc(OC2CCCC2)c1	75630239	FEAOEOQONJIZPY-MDZDMXLPSA-N	303.362	1.981	50	20	DDGD	
COc1ccc2nc(NNC(=O)c3nccnc3N)c(C)cc2c1	183183705	ZLIUIURYMSQPDD-UHFFFAOYSA-N	324.344	1.681	50	20	DDGD	
Cc1cc(C)cc(NC(=O)C(=O)NNC(=O)c2cccn2C)c1	123325211	TZJMYLZZQQXYSQ-UHFFFAOYSA-N	314.345	1.042	50	20	DDGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NN(C)C(N)=O	181086142	MHIFFPXGDLBLDL-UHFFFAOYSA-N	305.313	1.284	50	20	DDGD	
Cc1oc(-c2cnn(C)c2)nc1C(=O)NNc1ccnc(F)c1	182462208	ZTABGRWOHCNMDV-UHFFFAOYSA-N	316.296	1.675	50	20	DDGD	
CN(C)CC(=O)NNC(=O)C1(c2ccc(Cl)cc2)CCCC1	75653845	UVIYPVHZZNBQKQ-UHFFFAOYSA-N	323.824	1.861	50	20	DDGD	
CCOC(=O)CCCNC(=O)NNc1cc(Cl)ccn1	180362399	ZBOXJZLTJKYWML-UHFFFAOYSA-N	300.746	1.704	50	20	DDGD	
Cc1[nH]c2ccc(Cl)cc2c1C(=O)NNC(=O)CN(C)C	131870156	NILYFNBBAAOQOP-UHFFFAOYSA-N	308.769	1.452	50	20	DDGD	
CCOCCC(=O)NNC(=O)c1ccc(CN(CC)CC)o1	76853831	KGIZBSPPRUHWIO-UHFFFAOYSA-N	311.382	1.309	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1c(F)cc(F)cc1F	186251772	HDWHKRNXYONBIC-UHFFFAOYSA-N	324.262	1.894	50	20	DDGD	
O=C(CO)NNC(=O)CCc1ccc(-c2ccccc2F)o1	182772963	NXXMNDQLLKPVAX-UHFFFAOYSA-N	306.293	1.158	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(S(=O)(=O)C(C)C)cc1	44979496	MUXOOOXPCZGPBW-UHFFFAOYSA-N	314.363	1.260	50	20	DDGD	
O=C(CNC(=O)c1ccccc1)NNc1ccc([N+](=O)[O-])cc1	133699705	OVBFMMAEKNDFGI-UHFFFAOYSA-N	314.301	1.468	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1CCOc2ccccc21	132039960	NYXRCDYOUKRTCH-LLVKDONJSA-N	300.318	1.495	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@H](C(=O)NNc2nc3ccccn3n2)C1	191929155	RNYBQPOADYKYOC-WDEREUQCSA-N	317.349	1.152	50	20	DDGD	
C[C@@H]1CN(CCCNC(=O)NNc2ccccn2)C[C@@H](C)O1	193114362	HHEIXSRNTALSMO-CHWSQXEVSA-N	307.398	1.207	50	20	DDGD	
O=C(CCc1ccccc1)NNc1nc2ccccc2c(=O)[nH]1	137165591	LUMRYRPZWYAACC-UHFFFAOYSA-N	308.341	1.999	50	20	DDGD	
C=CCC1(C(=O)NNc2nccc(N3CCOCC3)n2)CCC1	190625137	YQJBAQZSJAURCY-UHFFFAOYSA-N	317.393	1.503	50	20	DDGD	
O=C(Cc1cc(F)c(F)cc1F)NNC(=O)c1cccnc1	131471661	BCRCGBLBELJOJU-UHFFFAOYSA-N	309.247	1.503	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)NCc1ccco1)c1ccccc1	138858991	RSBWQARFWSFGBU-AWEZNQCLSA-N	317.345	1.888	50	20	DDGD	
CC(C)OCCCNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	43062607	RXTRTHSKCZPHBE-UHFFFAOYSA-N	324.337	1.354	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C[C@@H]2CCCOC2)cc1	195007449	AMXXNPPMVATSPF-ZDUSSCGKSA-N	306.362	1.338	50	20	DDGD	
Cc1ccc(OCCNC(=O)NNC(=O)c2ccc[nH]2)cc1	193082740	ATQCTEUAPDXPMH-UHFFFAOYSA-N	302.334	1.346	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC2(N(C)C)CCCC2)s1	147197112	AVFSZNPULZVANK-UHFFFAOYSA-N	324.450	1.875	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)C(=O)NC1CC1	245724537	QOMGVGIYNOZJAW-GRYCIOLGSA-N	307.394	1.019	50	20	DDGD	
C[C@@H]1CC[C@@H](CCC(=O)NNC(=O)COc2ccccc2O)O1	266461147	QIADFWZGSBATPN-NEPJUHHUSA-N	322.361	1.266	50	20	DDGD	
O=C(NCCN1CCSCC1)NNc1ccc(Cl)nc1	266885273	XKUWRKGYQJDBQK-UHFFFAOYSA-N	315.830	1.410	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCc2[nH]ncc2C1	266814791	JHQHCCYDSAZSMM-UHFFFAOYSA-N	307.785	1.660	50	20	DDGD	
Cc1nc2n(n1)CCN(/C(=C/C#N)c1cccc([N+](=O)[O-])c1)C2	267348762	FCGSLQCYFQBPOL-LHHJGKSTSA-N	310.317	1.875	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccccc1C(=O)NC(C)(C)C	265454974	MADFDPNLMNEAGK-UHFFFAOYSA-N	308.338	1.607	50	20	DDGD	
COC(=O)CCCCCCCNC(=O)NNC(=O)c1ccc[nH]1	268439919	LRQXSTFFUWGXMO-UHFFFAOYSA-N	324.381	1.472	50	20	DDGD	
CCN(CC)C(=O)CCC(=O)NNc1cc(Cl)nc(C)n1	268021200	VBAVGHKUQZMOHR-UHFFFAOYSA-N	313.789	1.530	50	20	DDGD	
O=C(NNc1cccnn1)C1CCN(Cc2ccccc2)CC1	265554418	QYTDRMQBPGSOIE-UHFFFAOYSA-N	311.389	1.832	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC(n2cncn2)C1	368679148	WZKNVANSCZRVHF-VIFPVBQESA-N	301.188	1.471	50	20	DDGD	
CC(C)(C)[Si](C)(C)OCCN1CC[C@H](S(N)(=O)=O)C1	616613181	ZFDDNBAOIFGLFQ-NSHDSACASA-N	308.520	1.371	50	20	DDGD	
CCC(C)(C)N[C@H](C)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	273260526	MRPKVCCIWGYKJH-SNVBAGLBSA-N	322.365	1.523	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N1CCOCC1)c1ccc(OC)cc1	271756727	XHZDTZMOESXLSN-CQSZACIVSA-N	321.377	1.262	50	20	DDGD	
C[C@@H](O)C(=O)N1CCN(/C(=C/C#N)c2ccc(F)cc2)CC1	270852594	IFMBNZAFEYQYKE-BYQGBLLGSA-N	303.337	1.215	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC12CCOCC2)c1cccc(Cl)c1	360911697	DSIXJARLYKDPJE-LBPRGKRZSA-N	308.765	1.918	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1c(C(C)C)nn(C)c1Cl	272667645	JNZWPOISBMJOIG-UHFFFAOYSA-N	301.778	1.503	50	20	DDGD	
CCCOc1ccc(NC(=O)C(=O)NNC(=O)C2CC2)c(C)c1	274112932	YYKAJQPSOYHYSS-UHFFFAOYSA-N	319.361	1.280	50	20	DDGD	
COCCC(C)(C)CNC(=O)NNC(=O)c1ccccc1OC	273627929	FQTWYGLZUXDTSP-UHFFFAOYSA-N	323.393	1.702	50	20	DDGD	
CCc1n[nH]c(C(=O)NNC(=O)NC(C)C)c1Br	279236387	NPMNWYZTLQKKCM-UHFFFAOYSA-N	318.175	1.087	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1cccc(C(=O)NC2CC2)c1	273380571	ZNMCABSYXZUGPC-UHFFFAOYSA-N	316.361	1.532	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Nc1ccc(C#N)cc1	283682478	GCJNKYWRYVDVHK-UHFFFAOYSA-N	320.349	1.500	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=O)N2CCN(C)CC2)c(O)c1	287689452	CWYOYMMHEFIXEP-UHFFFAOYSA-N	320.393	1.117	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cccc(O)c1	298206325	ZPYNYPFRPJZAPN-SECBINFHSA-N	323.349	1.066	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(F)c(F)c(O)c1F	295726854	LTRZQLUAIUFHPY-MRVPVSSYSA-N	318.251	1.140	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1nnc(O)c2ccccc12)C1CC1	806272168	AVVANVKDRZKRGL-UHFFFAOYSA-N	314.345	1.533	50	20	DDGD	
CCCC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1ccc(C)s1	299190313	MVHDKKOGWJIBFC-NSHDSACASA-N	323.418	1.609	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)CCCCCC#N	806365712	UCTXQTHXRYUPBK-UHFFFAOYSA-N	318.377	1.729	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)c1coc(C)n1	801637742	HVDPIBIJBZXKMH-UHFFFAOYSA-N	321.358	1.545	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H]2CC[C@H](C(=O)OC)O2)cc1	294501188	XQAXZHYMKVMHRX-QWHCGFSZSA-N	308.334	1.249	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)c2cncn2C)cc1	809579067	VRRTUMLNNKCUMV-UHFFFAOYSA-N	319.390	1.450	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1C1CC1)Nc1ccc2c(c1)OCO2	802096816	GPAURVPKTHCRHW-GHMZBOCLSA-N	303.318	1.614	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@H]2COc3ccccc32)n1	291966116	XUFHZNZXOAQDBP-SNVBAGLBSA-N	315.333	1.288	50	20	DDGD	
CC[C@H](C)[C@H](C)NC(=O)NNC(=O)c1ccc2c(c1)OCCO2	299177929	VKSWDSRFCYHSKS-QWRGUYRKSA-N	321.377	1.836	50	20	DDGD	
O=C(NNc1nnc[nH]1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	294005197	TUHBRDNVKMBKNB-UHFFFAOYSA-N	317.309	1.070	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNc2nc(C)cc(C)n2)c1C	292369785	GAAAHZPCUNSHHC-UHFFFAOYSA-N	302.382	1.612	50	20	DDGD	
COCc1cnc(NC(=O)NNC(=O)c2ccccc2O)s1	806609544	CPMLTGQTLJMBGS-UHFFFAOYSA-N	322.346	1.462	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(C#N)ccc1Cl	807252655	SXJNYQJHCALHFJ-UHFFFAOYSA-N	303.709	1.767	50	20	DDGD	
CC(C)c1scnc1NC(=O)NNC(=O)[C@@H]1CCCCO1	296989239	JPZQDGFRJVAEGE-VIFPVBQESA-N	312.395	1.988	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cccc(N2CCOC2=O)c1	298701214	GCWSXUZNGKTYEJ-UHFFFAOYSA-N	305.334	1.450	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)Cc2nc(C)cs2)n1C	814779810	RVCYWQMEDXIFEY-UHFFFAOYSA-N	320.374	1.269	50	20	DDGD	
Cn1cc(C=NNC(=O)c2cccc(OC(F)F)c2)c(O)n1	814220579	BUOMPGZYXRJTRG-UHFFFAOYSA-N	310.260	1.491	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NC[C@H]1C[C@H]2C=C[C@H]1CC2	817787771	KTZIPMUVXCFEAK-LPEHRKFASA-N	305.300	1.872	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNc1nc2ccccc2c(=O)n1C	812510221	YKPGWHJCLXRUAT-MNOVXSKESA-N	318.377	1.295	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1nc2c(s1)CCC2	814895060	GOHYYMBAYPTUEB-UHFFFAOYSA-N	324.406	1.607	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)CC2CCN(C)CC2)o1	813427717	LDHORRVDDFBIQG-UHFFFAOYSA-N	305.382	1.845	50	20	DDGD	
CCOc1ccc(NNC(=O)c2ccc3nnc(O)n3c2)cc1	817896516	ZSLXVIJPPIDMBD-UHFFFAOYSA-N	313.317	1.591	50	20	DDGD	
CN1C[C@H](C(=O)NNc2cc(Cl)nc(Cl)c2)CC1=O	819742224	ZSYNELRONBSZTK-ZCFIWIBFSA-N	303.149	1.310	50	20	DDGD	
O=C(COc1ccc(Cl)c(F)c1)NNC(=O)c1cccnc1	814697196	COQSCPKLOARJPC-UHFFFAOYSA-N	323.711	1.714	50	20	DDGD	
Cc1sc(C(=O)NNC(=O)C(C)(C)O)cc1Br	819507939	FOPNPVKXXPOCRF-UHFFFAOYSA-N	321.196	1.351	50	20	DDGD	
N#CCOc1cccc(CC(=O)NNc2ncncc2F)c1	817083658	QTWZRKUQBFTINV-UHFFFAOYSA-N	301.281	1.204	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1COc2cc(F)ccc21	814794672	JBKUMIRPFZCTEH-UHFFFAOYSA-N	306.322	1.699	50	20	DDGD	
NC(=O)CC1(CNC(=O)NNc2cc(F)c(F)cc2F)CC1	817786961	GLRMNIDIVCDETD-UHFFFAOYSA-N	316.283	1.386	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1c[nH]nc1-c1ccccn1	810343767	SEWQKRQDKMATDJ-UHFFFAOYSA-N	301.350	1.669	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)[C@@]2(C)CC2(F)F)nc2ccccc21	817512965	KTXPJVQOSXZEPA-CQSZACIVSA-N	322.315	1.309	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@H]1CCS[C@@H]1C	827650417	PVQKFDUYYHEQNP-YPMHNXCESA-N	307.419	1.762	50	20	DDGD	
COCC[C@H](C)NC(=O)NNC(=O)c1cc2c(s1)CCC2	725866121	CHJYDRPESFDWFL-VIFPVBQESA-N	311.407	1.606	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)/C=C\c2ccc[nH]2)c1O	493194102	YPQLLNGYJAHXSS-FPLPWBNLSA-N	301.302	1.203	50	20	DDGD	
C[C@@H]1CCC[C@@H]1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	824925181	BEZRXFQONKSMDJ-SKDRFNHKSA-N	314.349	1.064	50	20	DDGD	
O=C(/C=C\C1CCOCC1)NNC(=O)NCCc1cccs1	491871701	UQJUTHNIJJTIBS-ARJAWSKDSA-N	323.418	1.604	50	20	DDGD	
CC[C@@H](C)[C@@H](C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	825052187	VQRQNDDVYKYGAH-NXEZZACHSA-N	316.365	1.310	50	20	DDGD	
CNC(=O)NNC(=O)C1(NC(=O)OC(C)(C)C)CCCCC1	490868259	FTOSZXBATDLOJR-UHFFFAOYSA-N	314.386	1.174	50	20	DDGD	
Cc1ccccc1CN(C)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	827314571	GINDDKLXHWOYEI-JSGCOSHPSA-N	305.378	1.593	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)NNC(=O)C1CCC1	496180894	KGFPIEGICIMUNT-ZJUUUORDSA-N	313.398	1.483	50	20	DDGD	
CC[C@H](CN1CCCC1)NC(=O)/C(C#N)=C\c1cnn(C)c1	825988285	WKUSSAJIHHFXGF-CKNOQMABSA-N	301.394	1.318	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1ccc(C(=O)C(C)C)cc1	491931168	KPSKQCGRUITCFW-UHFFFAOYSA-N	314.363	1.465	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@H]2CCC[C@H]2c2ccccc2)cn1	825909612	CVHMXOLGGMPHSB-GJZGRUSLSA-N	312.373	1.765	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2cc(C)on2)cn1	729693179	MRPDPWVNYZQFET-UHFFFAOYSA-N	307.335	1.018	50	20	DDGD	
C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)Cc1cccnc1	728852074	KWFOODMWQZUVQL-LBPRGKRZSA-N	324.340	1.111	50	20	DDGD	
Cc1c(C(=O)N2CC[C@H](B(O)O)C2)cnn1-c1ccccc1F	585068535	DEDFQXRWUSYTLV-NSHDSACASA-N	317.129	1.009	50	20	DDGD	
CO[C@@H](CNC(=O)/C(C#N)=C\c1cnn(C)c1)Cc1ccccc1	491102849	JFMKDHHPQKWTBL-QOTSWMAJSA-N	324.384	1.701	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1ccc2c(c1)OCCCCO2	491159088	HNSRPSBEHAZDIW-GXDHUFHOSA-N	316.357	1.908	50	20	DDGD	
CC(C)n1c(O)nc2ccc(C(=O)NNC(=O)NC3CC3)cc21	823768228	RIMVMHKAAKZATN-UHFFFAOYSA-N	317.349	1.429	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1cccc2ccccc12	495409402	XYXCYVZPSXQPAK-UHFFFAOYSA-N	301.302	1.556	50	20	DDGD	
COC(=O)c1cc(OC(=O)c2cc(C)no2)ccc1[N+](=O)[O-]	732653350	QANMKKPZCMDGKL-UHFFFAOYSA-N	306.230	1.897	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C1CCC1	732141975	ZXYWSHIQPFXDNI-LLVKDONJSA-N	319.336	1.126	50	20	DDGD	
O=C(NCCc1ccc(C(=O)O)cc1)NNc1cccnn1	739431180	YUQLNKOCYVZEAO-UHFFFAOYSA-N	301.306	1.044	50	20	DDGD	
COC(=O)NNC(=O)[C@@H](C(C)C)[C@H](C)NC(=O)OC(C)(C)C	496318167	BBTXUCCMVOJSEF-UWVGGRQHSA-N	317.386	1.559	50	20	DDGD	
CC[C@@H](NCc1ccc(B(O)O)cc1F)c1c(C)noc1C	585031526	GLGVIXJLBIBSHV-CQSZACIVSA-N	306.146	1.351	50	20	DDGD	
OB(O)c1ccc(CNc2ccc(O[C@H]3CCOC3)cc2)cc1	585011936	HNAOXXYGLRSTFQ-KRWDZBQOSA-N	313.162	1.146	50	20	DDGD	
COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)cn1	737947187	KCDFUOZGVGYCHQ-UHFFFAOYSA-N	318.241	1.916	50	20	DDGD	
CCC(=O)N1CC[C@H](NC(=O)[C@]2(C)C[C@@H]2Br)C1	907016678	AEJNXHDNICWBEE-HOTUBEGUSA-N	303.200	1.287	50	20	DDGD	
Cn1c(C2CC2)nc2cc(NCc3ccccc3B(O)O)ccc21	585033232	BHROVTLLAUYWLT-UHFFFAOYSA-N	321.189	1.743	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NC2CCN(C)CC2)ccc1F	837350160	QETJZNXYZRNNCJ-UHFFFAOYSA-N	324.356	1.333	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC[C@H]2CCCO2)c(F)c1	837313655	MPOOEXFPEWSVLG-SNVBAGLBSA-N	311.313	1.417	50	20	DDGD	
CCOc1cccc(CN2CC[C@@H](B(O)O)C2)c1OC(F)F	585076344	LPLBVSKXVGWVBT-LLVKDONJSA-N	315.125	1.735	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCN(c2cccc(F)n2)CC1	836292083	MAJSLAQIEPSVMZ-UHFFFAOYSA-N	323.372	1.130	50	20	DDGD	
O=C(c1ncccc1Oc1ccccc1)N1CC[C@@H](B(O)O)C1	585064441	QFHAZXIPTDPCDK-GFCCVEGCSA-N	312.134	1.563	50	20	DDGD	
CC(C)COc1ccccc1CNCc1ccccc1B(O)O	585018197	IFRBPBUWUVKMDX-UHFFFAOYSA-N	313.206	1.691	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCCSC)c(F)c1	838178051	IXUYPCBUYRDFOA-UHFFFAOYSA-N	301.343	1.601	50	20	DDGD	
COC(=O)C[C@@H]1CN(S(=O)(=O)CCl)c2ccccc21	830668543	QYVQEXRFOLLZKX-SECBINFHSA-N	303.767	1.679	50	20	DDGD	
CCOc1ccc(NNC(=O)NC[C@@]2(OC)CCOC2)cc1	838554724	NZJJVMXMFNDXNF-HNNXBMFYSA-N	309.366	1.517	50	20	DDGD	
CC[C@H](C)n1ncc(NC(=O)NNC(=O)[C@@H]2CCCCO2)c1C	836557306	PDQVGACPKMFXCJ-GWCFXTLKSA-N	323.397	1.884	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)NC(C1CCC1)C1CCC1	836455325	IIMZLSGQXQJXRX-ZDUSSCGKSA-N	309.410	1.855	50	20	DDGD	
C=CC(C)(C)CNC(=O)NNC(=O)c1ccc(OC)c(OC)c1	836205028	DIMFKDSNZLVLEI-UHFFFAOYSA-N	321.377	1.860	50	20	DDGD	
COc1cccc(C=NNC(=O)[C@H](C)CN2CCOCC2)c1	916362826	PGDQCKGQDIIQBP-CYBMUJFWSA-N	305.378	1.114	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCC(C)(C)CC#N)c1	838755098	KKRZOGITQNXTDK-UHFFFAOYSA-N	317.393	1.636	50	20	DDGD	
COc1ccc(C(=O)NNc2nccn(C)c2=O)c(Cl)c1	747946265	XPMXJVATWSLIRV-UHFFFAOYSA-N	308.725	1.199	50	20	DDGD	
O=C(Cc1ccncc1)NN=Cc1cnc(N2CCCC2)nc1	747642339	SOIVYUQPIRIXOW-UHFFFAOYSA-N	310.361	1.165	50	20	DDGD	
CSc1ncc(C(=O)NN(C)C[C@@H](C)O)n1-c1ccccc1	910176420	AWLNUJZPMVOLFA-LLVKDONJSA-N	320.418	1.552	50	20	DDGD	
O=C(NNc1cc(O)nc2ncccc12)C1SCCCS1	913987828	KVDBHYSSUFYWEG-UHFFFAOYSA-N	322.415	1.975	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F	910145578	BWPAPNLXLMEPMR-PFEFSLHISA-N	308.344	1.945	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc2cccc(F)c2o1	843651997	GWDZXSQCOHGDKE-SCZZXKLOSA-N	306.293	1.758	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1cc([N+](=O)[O-])c[nH]1	915256808	VPWVXYFHKHKANF-UHFFFAOYSA-N	303.278	1.698	50	20	DDGD	
CN(CCO)c1ccc(C=NNC(=O)c2ccc(C#N)cc2)cc1	747052307	DZWDMTDSCZMJAY-UHFFFAOYSA-N	322.368	1.751	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cnn(-c2ccccc2)c1	748252439	DXXLPFGKODNNSJ-CYBMUJFWSA-N	316.361	1.374	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@H]1CS[C@H](C)C1	840420176	QZMDIHGTZTVSPL-DGCLKSJQSA-N	307.419	1.762	50	20	DDGD	
O=C(NNc1ccc(Br)c(F)c1)N[C@H]1CCNC1	841942397	YKDMOONLYFUDHM-QMMMGPOBSA-N	317.162	1.576	50	20	DDGD	
CCC(CC)(CN)C(=O)NNc1ncc(Br)cn1	848436681	ZYWWMJRGWFBUMV-UHFFFAOYSA-N	316.203	1.447	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1Cc2ccccc2S1	843642124	IYIOKXMXOOVQML-UFGOTCBOSA-N	306.387	1.276	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@@H](C)C(F)(F)F)c1	743295678	QUZSVJDVYGEZSV-MRVPVSSYSA-N	319.283	1.453	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@@H](C)c2ccc(C)o2)n1	742480184	GXLCWSSUXNJABA-LBPRGKRZSA-N	304.350	1.352	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H](C)C(F)(F)F	743320021	VSDMMTIMRVHKIA-MRVPVSSYSA-N	304.268	1.584	50	20	DDGD	
CCc1ccc(CN(C)C(=O)NNC(=O)c2ncccn2)cc1	841594229	RFGLYAPBRPPSQK-UHFFFAOYSA-N	313.361	1.525	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CCC[C@@H](N)C2)c1	841983759	VMZODXOLMJORET-NEPJUHHUSA-N	306.366	1.369	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cc(F)c(F)c(F)c1	740762554	WVKMPGVQQGOKNK-UHFFFAOYSA-N	315.295	1.859	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1ccc(F)cc1[N+](=O)[O-]	842562341	PHNJIEKUHKSFMV-JOYOIKCWSA-N	309.297	1.999	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1noc2ccccc12	847476282	SODJTVJYJYOGPP-VHSXEESVSA-N	318.333	1.083	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)CCc2ccccc2)CS1	840416033	BNOXSPHEQBGRSB-AAEUAGOBSA-N	307.419	1.844	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@H](O)c1cccnc1	840545585	LADUBZUWNKQBJB-LLVKDONJSA-N	321.768	1.825	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@H](C)Cc1cnn(C)c1	846638530	DKITUMRJGDKHFZ-SNVBAGLBSA-N	306.341	1.890	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1	747325061	ZIXZNICMGRCQHP-CABCVRRESA-N	313.332	1.714	50	20	DDGD	
COc1c([N+](=O)[O-])ccc(C=NNC(=O)[C@H]2CCO[C@@H]2C)c1O	842562026	UUCAGHDKZHQMBD-SCZZXKLOSA-N	323.305	1.184	50	20	DDGD	
Cc1ccc(CCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(C)c1	843640087	BBDLGFNBYYJZBO-DZGCQCFKSA-N	304.390	1.808	50	20	DDGD	
O=C(CCOC1CCOCC1)NNc1ncc(Cl)cn1	857357192	JZWKJJYAGQPSFN-UHFFFAOYSA-N	300.746	1.159	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C[C@@H]1C[C@@H]1c1ccccc1	755774011	OFMICOLCJVJWAA-JKSUJKDBSA-N	322.368	1.717	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cc(OC)cc(OC)c1	929179164	FWIKPJTWYYBJID-UHFFFAOYSA-N	305.334	1.660	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNc1cccc(C(=O)OC)c1C	855626200	WKSCROVDYJHMNH-VIFPVBQESA-N	308.334	1.424	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)/C=C\c1ccc(O)cc1)C1CC1	855098301	DQCPRZUUVGLJPD-FWAPLPHYSA-N	305.403	1.699	50	20	DDGD	
C[C@H](Cc1cnc[nH]1)C(=O)NC[C@]1(C)C[C@@H]1Br	857733260	IGRQAVVCVCPXIG-QRTLGDNMSA-N	300.200	1.878	50	20	DDGD	
CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)c1cc[nH]n1	855357898	UEKALEDZFURBSJ-CYBMUJFWSA-N	302.334	1.337	50	20	DDGD	
O=C(NC[C@@H]1CCCN1CC(F)F)NNc1cccc(F)n1	858746772	CMHUYEQCSVDELO-VIFPVBQESA-N	317.315	1.576	50	20	DDGD	
CCOCC(=O)NN=C1CCN(c2ccc([N+](=O)[O-])nc2)CC1	853305017	LCUFLCHRGQXBGH-UHFFFAOYSA-N	321.337	1.099	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2CCCN2C2CC2)C[C@@H]1Br	857390133	BSCGPXZCAYHGLN-NTZNESFSSA-N	301.228	1.903	50	20	DDGD	
C#CCCOc1ccc(C=NNC(=O)CN2CCCC2=O)cc1	920371281	RNJBLUFMJXVUSQ-UHFFFAOYSA-N	313.357	1.161	50	20	DDGD	
O=C(NCCCO[C@@H]1CCOC1)NNc1ccc(F)c(F)c1	921418965	RWHITGVRASVQEW-LLVKDONJSA-N	315.320	1.787	50	20	DDGD	
O=C(CC[C@H]1CCOC1)NNC(=O)Cc1c[nH]c2ccccc12	751298757	XHSUROGXVMWZKL-LBPRGKRZSA-N	315.373	1.675	50	20	DDGD	
CN1Cc2ccccc2[C@H](NC(=O)NNC(=O)C2CCC2)C1	757737429	LCTMEXIUHPZXSC-CQSZACIVSA-N	302.378	1.304	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)[C@@H]1C[C@H]1C1CCC1	855829539	WWSNZXHNTCCXJW-QWHCGFSZSA-N	323.437	1.513	50	20	DDGD	
COc1ccc(OC)c(NC(=O)NNC(=O)c2c[nH]nc2C)c1	755388819	FSCCFHMQUINUND-UHFFFAOYSA-N	319.321	1.202	50	20	DDGD	
C/C(C=NNC(=O)N[C@H]1CCS(=O)(=O)C1)=C\c1ccccc1	920382530	YWPDFHBTJYTKRE-QMFDTQIOSA-N	321.402	1.562	50	20	DDGD	
COCCOC[C@H](C)NC(=O)NNc1ccc(Cl)cn1	852191043	AROREKPXCQQCGC-VIFPVBQESA-N	302.762	1.413	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(NC(C)=O)ccc1C	755905541	XWIVURBODZZMMW-UHFFFAOYSA-N	308.338	1.143	50	20	DDGD	
COc1ccccc1C(=O)NN=Cc1ccc(C(=O)N(C)C)[nH]1	752164375	FXYGDVJLJZSDEK-UHFFFAOYSA-N	314.345	1.489	50	20	DDGD	
Cc1cc(C=NNC(=O)c2nn(C)c(=O)c3ccccc23)c(C)o1	767895882	BZXCLKBYEXWKAH-UHFFFAOYSA-N	324.340	1.907	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)Nc1cc2c(cn1)CCCC2	861136423	ADPGCIMSKZNOHB-UHFFFAOYSA-N	300.322	1.150	50	20	DDGD	
CCN(CC)c1ccc(CNCc2cccc(B(O)O)c2)cc1	863888652	IUVTUILYDXSCEJ-UHFFFAOYSA-N	312.222	1.502	50	20	DDGD	
COc1cccc(CO[C@@H](C)C(=O)NN=c2cc[nH]c(C)c2)c1	862510832	VCDCTSSQCGKZSJ-ZDUSSCGKSA-N	315.373	1.869	50	20	DDGD	
COC(=O)c1ccc(C)c(NC(=O)NNc2ncc(F)cn2)c1	760308172	HGXDRYCSPUNPRU-UHFFFAOYSA-N	319.296	1.859	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cn[nH]c1)[C@@H]1OCCc2sccc21	862470089	ZNUNASCCOILQOL-UFBFGSQYSA-N	320.374	1.182	50	20	DDGD	
COc1nccnc1NNC(=O)C1=NO[C@@H](c2ccccc2)C1	764481788	NESOZFQWWZKECV-GFCCVEGCSA-N	313.317	1.446	50	20	DDGD	
CC(=O)NCc1ccc(C(=O)NN[C@@H](C)C(F)(F)F)cc1	862305929	ZBCVMHAHOCRHIY-QMMMGPOBSA-N	303.284	1.508	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccccn1)c1cccc([N+](=O)[O-])c1	761383497	BICFOKVDIJJZFZ-SNVBAGLBSA-N	314.301	1.555	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1cc(C(=O)OC)cs1	864362783	KFMDDLJQKYZYBM-POHAHGRESA-N	308.359	1.594	50	20	DDGD	
CCCOc1ccc2[nH]cc(C=NNC(=O)CN(C)C)c2c1	768365556	VMNIVQAMKSBKKA-UHFFFAOYSA-N	302.378	1.968	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(C)nc2[nH]nc(C)c12	764484373	OSBAEPJLLYSFFG-UHFFFAOYSA-N	313.321	1.130	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2ccn(C)c2c1	869068235	OIFLIKLBVHGMAK-GWCFXTLKSA-N	301.346	1.364	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc[nH]1	862509022	CTCJOQUAUWQZLH-ZDUSSCGKSA-N	320.393	1.655	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21	863853043	NDKOMVXYTQYZDR-BPQIPLTHSA-N	321.380	1.832	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)OCC(=O)[C@@H]2CCOC2)cc1	762840708	SRYOWKWYAHNNLQ-HRYODUOUSA-N	315.325	1.751	50	20	DDGD	
Cc1nn(-c2ccccc2)cc1C(=O)NNC(=S)NC(C)C	1115950496	QVPPLPWWJFPUGH-UHFFFAOYSA-N	317.418	1.698	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)c1cnc2nccnc2c1	760031114	YAHWSXDBZYFOIM-UHFFFAOYSA-N	300.709	1.830	50	20	DDGD	
C[C@H]1CN(CCNC(=O)[C@@H](Br)C(C)(C)C)CCO1	767933715	ADZOFSLWYACKKA-WDEREUQCSA-N	321.259	1.633	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)CSc2ccccc2O)cn1	764045869	BOIIBALOLVARIT-UHFFFAOYSA-N	320.374	1.162	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc([S@](C)=O)cc1	1116209945	WNYWBDZITNKJQB-NRFANRHFSA-N	309.435	1.606	50	20	DDGD	
Nc1cnnc(NNC(=O)NCCc2cccs2)c1Cl	1116297735	OZPYJGFLMCCXQD-UHFFFAOYSA-N	312.786	1.643	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C2(O)CCOCC2)c(C)c1	873759076	GOZTWBUAQBFVKG-UHFFFAOYSA-N	323.418	1.163	50	20	DDGD	
CN(C)C(=O)CCCNC(=O)NNc1cccc(F)c1Cl	875146410	CFEUJWDKJOSPAL-UHFFFAOYSA-N	316.764	1.974	50	20	DDGD	
C[C@@]1(C(=O)NNc2nncc(N)c2Cl)C[C@H]1Br	1119626826	HUVHNUPQBVFHQY-MLUIRONXSA-N	320.578	1.329	50	20	DDGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)[C@H](C)N(C)C)c1C	878858192	XQRWEGSRADXRCO-LBPRGKRZSA-N	314.393	1.549	50	20	DDGD	
C#Cc1cncc(C(=O)NNc2cncc(Br)c2)c1	1117442426	HQYYSNNDYMPFCR-UHFFFAOYSA-N	317.146	1.977	50	20	DDGD	
CS(=O)(=O)Nc1ccc(NC(=O)NNc2ccccn2)cc1	779060411	FIZPHFKJIMHCKW-UHFFFAOYSA-N	321.362	1.602	50	20	DDGD	
COc1cccc2c1OCCCC2=NNC(=O)C(=O)NC(C)C	872338167	CRPKPGLLACQSLF-UHFFFAOYSA-N	319.361	1.213	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)c1	873775766	RCDYHKMVYKQXEF-JHJVBQTASA-N	305.403	1.738	50	20	DDGD	
COc1ccc(C)cc1[C@@H](C)NCC(=O)NNC(=O)C1CC1	774823566	JGECSZWHBMUVGQ-LLVKDONJSA-N	305.378	1.212	50	20	DDGD	
COc1ccc(-c2ccc(C=NNC(=O)CO)o2)c([N+](=O)[O-])c1	776777911	PYFFMPGPADLUOF-UHFFFAOYSA-N	319.273	1.306	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2c(O)cccc2F)nc1	773518589	ZFHXKWYFSADFRF-UHFFFAOYSA-N	305.265	1.470	50	20	DDGD	
CO[C@@H](C(=O)NNc1ccccc1S(C)(=O)=O)C(C)C	771415824	OGMCCVSAGNHUFB-GFCCVEGCSA-N	300.380	1.204	50	20	DDGD	
CN(C)C(=O)CCNC(=O)NNc1cccc(F)c1Cl	875102809	VDBWEIQTHYWKEC-UHFFFAOYSA-N	302.737	1.584	50	20	DDGD	
Cc1nnc(N2CCN(C[C@@H](C)CBr)CC2)n1C	879192500	MZHRWYJZPOEWSM-JTQLQIEISA-N	316.247	1.277	50	20	DDGD	
C[C@H](CBr)COC(=O)[C@H]1CCCCS1(=O)=O	772410551	VVBNGMUXYAMKAM-RKDXNWHRSA-N	313.213	1.528	50	20	DDGD	
CC1=NO[C@](C)(C(=O)NNC(=O)c2c[nH]c3ccccc23)C1	1120521871	WSPRVMXLOZZIRJ-HNNXBMFYSA-N	300.318	1.484	50	20	DDGD	
C=C(CC)C(=O)NNC(=O)c1cc(Br)cn1C	1123484011	MFOZQPJLXGEWHV-UHFFFAOYSA-N	300.156	1.515	50	20	DDGD	
COc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1cccnn1	882056160	LEPSQBROTIPQMG-NWDGAFQWSA-N	312.329	1.050	50	20	DDGD	
CC(C)(C)[C@@H](NC(N)=O)C(=O)NNc1ccc(F)c(F)c1	885113965	OZUIDWCYRKATEM-JTQLQIEISA-N	300.309	1.491	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@@H]1CCOC2(CCC2)C1	888814592	FBONNAPKWRALPE-CYBMUJFWSA-N	303.362	1.121	50	20	DDGD	
Cc1cc2c(cc1C)O[C@@H](C(=O)NNC(=O)C1CCOCC1)C2	883065034	XONVGOUKJRGIQH-OAHLLOKOSA-N	318.373	1.181	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COc2ccccc2F)n1	887982369	CTMGXTIPUOSBRC-UHFFFAOYSA-N	303.293	1.369	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccc(OC)cn2)s1	781527009	NPOIRNCFDPQKKP-UHFFFAOYSA-N	307.331	1.695	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)NC2CSC2)c1C	880737324	ZRWVAVUNHNZYDA-VGOFMYFVSA-N	319.430	1.890	50	20	DDGD	
CCOCC(=O)NN[C@@H](Cc1ccc(Cl)cc1)C(=O)OC	783568837	DXDAKGDSTMTMKW-LBPRGKRZSA-N	314.769	1.081	50	20	DDGD	
COc1cccc(NNC(=O)c2cc(C)cc(OC)c2O)n1	780774882	SBZLKJTWETYXCO-UHFFFAOYSA-N	303.318	1.870	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCSc2ccc(OC)cc21	786037501	RPYFCPRNZANTAO-UHFFFAOYSA-N	323.374	1.367	50	20	DDGD	
O=C(CSc1ccc([N+](=O)[O-])cc1F)NNC(=O)C1CC1	788501461	DTXNBLQPVGBLEH-UHFFFAOYSA-N	313.310	1.383	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(Cl)cn2C)cc1O	788317208	ULQNEIZWCWSTNC-UHFFFAOYSA-N	307.737	1.767	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21	780325256	ZYKDDUPSEIFSJY-DAXOMENPSA-N	313.357	1.283	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@H]1CN1CCC[C@@](O)(C(=O)N2CCCC2)C1	894367163	PYQHKDWJBKZACC-ABHRYQDASA-N	300.830	1.309	50	20	DDGD	
COc1cc(/C=C(/C#N)S(=O)(=O)N(C)C)cc(OC)c1O	794958853	RLRKJFFAGBKSSW-YHYXMXQVSA-N	312.347	1.165	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCc2ccn3ccnc3c2)n1	793104850	UKSKSRSPTDCJDI-UHFFFAOYSA-N	324.344	1.182	50	20	DDGD	
O=C(NN=Cc1ccc(OC(F)(F)F)cc1)C(=O)NC1CC1	794773078	HIUHBGMBDLWXBZ-UHFFFAOYSA-N	315.251	1.314	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H](c2cccnc2)C(C)C)nc1O	798106757	NCVNGQSVGSXNHB-LLVKDONJSA-N	302.338	1.164	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1nc2ccccc2s1	798313360	FYPNFERFZBJPRS-UHFFFAOYSA-N	318.280	1.803	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ncoc2C)c2ccccc2n1	799008806	BSVVKRABQIIJNZ-UHFFFAOYSA-N	310.313	1.914	50	20	DDGD	
O=C(NN=Cc1ccc(O)c(C(=O)O)c1)c1ccc(O)c(O)c1	794556230	RIEKOKYJGPDCAM-UHFFFAOYSA-N	316.269	1.266	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCc1cccc(N(C)C)c1	792146077	AFXOUPFVINSVOZ-UHFFFAOYSA-N	315.377	1.178	50	20	DDGD	
N#C/C(=C/c1cnc(N2CCCC2)nc1)S(=O)(=O)NC1CC1	794942746	FEJUTGSDBIHCLM-QPEQYQDCSA-N	319.390	1.023	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N(C)C)c(C)n1Cc1ccco1	1318057921	QERSZYJSWXVTGQ-UHFFFAOYSA-N	304.350	1.662	50	20	DDGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1ccc(O)nn1	1319102760	CVQAARLGERQFRZ-UHFFFAOYSA-N	308.301	1.396	50	20	DDGD	
O=C(CSc1nc2ccccc2[nH]1)NNC(=O)C1CCCC1	1319532480	NJYQWBOVUNFQIE-UHFFFAOYSA-N	318.402	1.993	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCCCCNC(C)=O)cc1	1317841223	GGSVIXJRYUXTML-UHFFFAOYSA-N	321.377	1.153	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc3[nH]ccc3c2)nn1	1320563404	YTBRKUXKMAFKPU-UHFFFAOYSA-N	310.317	1.348	50	20	DDGD	
CC(C)(C)c1cnc(NC(=O)C(=O)NNc2ncccn2)s1	1321003742	AGHKVKJSKJVYPU-UHFFFAOYSA-N	320.378	1.312	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccc(Cn2cccc2)cc1	1321194341	NGYZLBJQRJZONF-UHFFFAOYSA-N	301.346	1.068	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)C(=O)Nc1cccnc1	1324334144	GBRNNBRHWZWWME-UHFFFAOYSA-N	314.330	1.168	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)Nc2nocc2C)c1	1320140205	SCHMBRWTAGRKNR-UHFFFAOYSA-N	320.305	1.467	50	20	DDGD	
CCOC(=O)c1ncc(C(=O)NNc2ncccc2F)s1	1329303538	RCWIAMJEZUWSMK-UHFFFAOYSA-N	310.310	1.611	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)Nc1ccc(F)c(F)c1F	1326073863	AIRQFVDSFKYXEM-UHFFFAOYSA-N	316.283	1.256	50	20	DDGD	
O=C(NN=Cc1cnc([C@@H]2CCCO2)s1)C1CCOCC1	1330904373	PXEJDCFPUBPZEX-LBPRGKRZSA-N	309.391	1.871	50	20	DDGD	
COc1cc(NNC(=O)[C@H]2C[C@@H](C(=O)OC)C2)ccc1Cl	1337205962	VAEOBBAUUPDYOE-DTORHVGOSA-N	312.753	1.991	50	20	DDGD	
CC1(C)CN(C(=O)C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	1331101719	PDZMYCUWKMRWIV-QPUJVOFHSA-N	303.200	1.145	50	20	DDGD	
CC[C@@H](O)[C@H](C)C(=O)NNC(=O)c1cncn1-c1ccccc1	1332380926	VXIROCOKPFLTOM-SMDDNHRTSA-N	316.361	1.040	50	20	DDGD	
COc1nccnc1NNC(=O)c1ccc(OCC2CC2)nc1	1345063467	HTDWVGRJIOINJK-UHFFFAOYSA-N	315.333	1.426	50	20	DDGD	
Cc1cc(NNC(=O)c2cnn(-c3ccncc3)c2C)ncn1	1341306530	AHDAEKFVFKRJLP-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
Cc1cccnc1[C@H](C)NC(=O)NNC(=O)Cc1ccncc1	1355520208	MHZGRNDVPDNIJP-LBPRGKRZSA-N	313.361	1.419	50	20	DDGD	
Cc1oc(-c2nn[nH]n2)cc1C(=O)NNc1cccc(F)n1	1606168245	DMPQGVGPDBQQMQ-UHFFFAOYSA-N	303.257	1.059	50	20	DDGD	
Cc1c(C(=O)NNc2ncccc2F)cccc1-c1nn[nH]n1	1609380579	FQUWNBQDEPRSPA-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)c1sccc1-c1nn[nH]n1	1606855857	KNAQRYGETKDSOC-UHFFFAOYSA-N	322.300	1.963	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Cn1cc(C(=O)O)c2ccccc21	1601247856	HBFSADXWEKCWJQ-UHFFFAOYSA-N	315.329	1.287	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)C(=O)O)c1	1607317384	NFNZJDJIOHKZNZ-ISAHRAOESA-N	303.270	1.188	50	20	DDGD	
O=C(O)C(=O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1	1608530733	CGKGTCOWGCOFPF-UHFFFAOYSA-N	303.230	1.390	50	20	DDGD	
O=C(COc1ccccc1F)NNc1ccc(C(=O)O)cn1	1610671450	QNQNKKKNSHFKPE-UHFFFAOYSA-N	305.265	1.441	50	20	DDGD	
O=C(NN=C[C@@H]1CC1(Cl)Cl)[C@H]1CN2CCC[C@H]2CO1	1549317687	YNUUTBHAENVROP-LPEHRKFASA-N	306.193	1.145	50	20	DDGD	
O=C(NN=C1CC(CF)(CF)C1)[C@@H]1CN2CCC[C@H]2CO1	1549311749	BWLLYIAGOPLGJW-RYUDHWBXSA-N	301.337	1.041	50	20	DDGD	
O=C(NN=C1CCc2ccc(F)cc21)[C@H]1CN2CCC[C@@H]2CO1	1549316080	DYVZVPYHEMMKGE-CZUORRHYSA-N	317.364	1.455	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1sccc1C	1549319359	UMLMAXIAZADKOV-CHWSQXEVSA-N	307.419	1.760	50	20	DDGD	
CCCC[C@H](N)C(=O)NNC(=O)c1ccc(OCC)c(OC)c1	1577410380	CECLGZLJRWKRKH-LBPRGKRZSA-N	323.393	1.372	50	20	DDGD	
COc1nscc1NC(=O)NNc1ncccc1C(=O)O	1574244185	DVDKGVZMOSENAC-UHFFFAOYSA-N	309.307	1.394	50	20	DDGD	
CC1(C)C(C)(C)C1(C(=O)O)C(=O)NNC(=O)Cc1ccsc1	1589206159	WETGHCPRSMNGCD-UHFFFAOYSA-N	324.402	1.575	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1CNC(=O)NNc1ccc(C(=O)O)c(F)c1	1588917906	HZGLBVSYJLCZLT-ZANVPECISA-N	323.324	1.741	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1590371645	GRSZAOMJRHNJFM-CYBMUJFWSA-N	318.341	1.361	50	20	DDGD	
Cc1cnc(F)cc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1592295541	ICEPNWKIOJGTEO-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
COC(=O)CCCNC(=O)NNc1ccc(C(=O)O)cc1F	1598852714	ZVAQLFXGSUOCJN-UHFFFAOYSA-N	313.285	1.103	50	20	DDGD	
O=C(NN=Cc1csc(-c2nn[nH]n2)c1)[C@@H]1CCCS1	1593154706	DYHMTZKWCMIGAN-QMMMGPOBSA-N	308.392	1.274	50	20	DDGD	
CCOc1cc(/C=C(\C#N)C(=O)OC)ccc1OCC(=O)O	1776115119	NPNHZEYRKBKDIX-IZZDOVSWSA-N	305.286	1.629	50	20	DDGD	
COc1cccc(NCC(=O)NN=Cc2cc(C(=O)O)co2)c1	1776022899	UVZFYLKGXHVECH-UHFFFAOYSA-N	317.301	1.549	50	20	DDGD	
O=C(O)c1cc(Cl)sc1C=NNC(=O)[C@H]1CCOC1	1776058047	BLAKXAYSGJUHKJ-LURJTMIESA-N	302.739	1.586	50	20	DDGD	
Cn1cc(C(=O)O)cc1C=NNC(=O)[C@@H]1CCO[C@H]1C(C)(C)C	1776106910	BNJNROKDALSCAY-CHWSQXEVSA-N	321.377	1.625	50	20	DDGD	
O=C1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](F)Cl)C1	1796810899	HSRBEFPTBLJHTE-WYFGTUCQSA-N	316.760	1.138	50	20	DDGD	
C[C@H]1[C@@H](C)OCCN1C(=O)NNC(=O)c1cc2ccccc2o1	151271452	FBIYJOJZSCEIRI-WDEREUQCSA-N	317.345	1.896	50	20	DDGD	
Cn1nccc1CCNS(=O)(=O)c1ccc(CCl)cc1	312259193	ADNWICSUBVJVHS-UHFFFAOYSA-N	313.810	1.680	50	20	DDGD	
CC1(C)CCN(S(=O)(=O)CCCCl)CC[S@]1=O	321926043	ZNOPBYNVVAWGBU-MRXNPFEDSA-N	301.861	1.178	50	20	DDGD	
C[C@H](CNC(=O)OC(C)(C)C)C(=O)NNC(=O)OC(C)(C)C	495609449	BHGVFDUOMXJRQG-SECBINFHSA-N	317.386	1.703	50	20	DDGD	
O=C(Cc1ccccc1Br)NNc1ncccn1	104238668	FAHXSYHGUKTPPX-UHFFFAOYSA-N	307.151	1.925	50	20	DDGD	
COCCCCCNC(=O)NNC(=O)c1cccc(C#N)c1	103514881	LIPCSTKNFNQLFA-UHFFFAOYSA-N	304.350	1.319	50	20	DDGD	
CCCCc1ccc(CC(=O)NNc2nnc(C)c(O)n2)cc1	29067064	HQAKFXSSDFNACB-UHFFFAOYSA-N	315.377	1.914	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc3c([nH]c2=O)CCCC3)n1	68259276	AJUCINAGIYUCPZ-UHFFFAOYSA-N	313.361	1.417	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CCc1c(C)n[nH]c1C	109145171	ZZUGPSUMLZMSLQ-UHFFFAOYSA-N	316.361	1.429	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1ccc(Cl)nc1	103060400	RUYFUNAKUWMJDW-UHFFFAOYSA-N	305.787	1.481	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)NCCCCC#N)cc1	170886071	PKTZSZLYGPCELR-UHFFFAOYSA-N	318.377	1.652	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCC2)NNC(=O)NC1CCCC1	65921037	CACQSVHYRBMQNE-UHFFFAOYSA-N	301.390	1.991	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc(Oc2cnccn2)cc1	174166545	WAOFVSSBGNXOFT-UVTDQMKNSA-N	324.340	1.938	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@](C)(O)[C@H](C)c2ccccc2)o1	176209800	CEGVBCVYMZPDPN-PXAZEXFGSA-N	316.357	1.904	50	20	DDGD	
Cc1ccoc1C(=O)NNC(=O)c1cc(Br)c[nH]1	24124056	ITXMTJAYFKSSKQ-UHFFFAOYSA-N	312.123	1.753	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@H]1C(=O)NNc1nccnc1Cl	172288334	PQCPZIWDEUCBOX-LDYMZIIASA-N	320.736	1.802	50	20	DDGD	
COC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)NC1CCCC1	68282667	CAAKNFAXMUBLNO-NSHDSACASA-N	314.386	1.030	50	20	DDGD	
CC[C@@](C)(O)CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	174779529	YOYBDOKIQVBEGW-MSXUNZPYSA-N	300.362	1.389	50	20	DDGD	
CS(=O)(=O)N[C@H]1CCCN(/C(=C/C#N)c2ccccc2)C1	177159720	LKEGQYUMOZEXJM-AHSSXEFNSA-N	305.403	1.565	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCCn1cncn1)c1ccccc1	111630799	JJUCONBGOHNCBF-AWEZNQCLSA-N	315.377	1.400	50	20	DDGD	
N#CCCCCNC(=O)NNC(=O)COCc1ccccc1	172375040	AXZBSLDPZOLXEL-UHFFFAOYSA-N	304.350	1.227	50	20	DDGD	
COCc1ccc(C(=O)NNC(=O)c2ccccc2OC)cc1	67433269	UAEZOTWJUJEQNO-UHFFFAOYSA-N	314.341	1.916	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNC(=O)Cc1ccc(Cl)cc1	128983182	GNIJWXHFKQUIBT-LBPRGKRZSA-N	313.785	1.638	50	20	DDGD	
CC[C@@H](COC)NC(=O)NNC(=O)[C@@H](CC)c1ccccc1	129437911	AEBVEJWBHILNSD-KBPBESRZSA-N	307.394	1.936	50	20	DDGD	
Cc1cc(NNC(=O)C[C@H](C)NC(=O)C2CCCC2)nc(C)n1	128781642	AXAKLDHTPGMAOR-NSHDSACASA-N	319.409	1.622	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2cc3ccccc3o2)CCO1	78347169	QDWXVQZTRYHDBN-JTQLQIEISA-N	303.318	1.508	50	20	DDGD	
CC[C@H]1C[C@@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)CCO1	182376764	BXHKVNMDQJQLIZ-ZFWWWQNUSA-N	319.405	1.719	50	20	DDGD	
CN(NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1)C(N)=O	182647436	GAZUGYXCZVZYIH-UHFFFAOYSA-N	312.329	1.594	50	20	DDGD	
CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)[C@@H]1CCCO1	32260326	PLIJCDFCHJCZEY-WFASDCNBSA-N	320.389	1.905	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCCC[C@@H]2CCCCO2)o1	186590972	ZNUCBTQFLKXUJA-LBPRGKRZSA-N	309.366	1.881	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](C)c1ccc(F)cc1Cl	77621808	ZNWVMFTYTJGELL-MRVPVSSYSA-N	317.748	1.907	50	20	DDGD	
COc1ccc(NNC(=O)CCOCC(F)F)c([N+](=O)[O-])c1	189527348	LSDUKJQHMORMGP-UHFFFAOYSA-N	319.264	1.718	50	20	DDGD	
COc1cc(F)c(NC(=O)NNC(=O)c2ccc[nH]2)cc1F	128052941	RMPSIEAQYMPWIS-UHFFFAOYSA-N	310.260	1.768	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1cc(Cl)ccn1)N1CCCC1=O	183006949	KVXACCHDQQGXDU-ZDUSSCGKSA-N	310.785	1.825	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)Cc1ccc(F)cc1F	124260459	OMTGQYVJULFCJF-UHFFFAOYSA-N	319.311	1.767	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)c1occc1C	186059083	WCWOYYCMUFGWDS-UHFFFAOYSA-N	324.358	1.757	50	20	DDGD	
C=CCNC(=O)CNC(=O)/C(C#N)=C/c1ccc(OCC)cc1	181680139	WRMROAWAHLCHHR-GXDHUFHOSA-N	313.357	1.411	50	20	DDGD	
O=C(NC[C@H]1CCN(c2ccccc2)C1)NNc1cccnn1	77348256	IVLXUPYRJKETOY-CYBMUJFWSA-N	312.377	1.629	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccnn1Cc1ccccn1	181153589	MTJGTKPFFOOYIQ-UHFFFAOYSA-N	316.365	1.525	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccnc(N(C)C)c2)cc1	76339279	DBOUWJGUJQZEOQ-UHFFFAOYSA-N	314.345	1.231	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)Cc2cnn(C)c2)c(Cl)c1	75570066	ZBTIQOZLFPMDNV-UHFFFAOYSA-N	321.768	1.777	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H](C)c2ccccc2)n1	42846980	APOOMHNXGYEBGS-ZDUSSCGKSA-N	315.377	1.592	50	20	DDGD	
O=C(Cc1ccc2c(c1)OCO2)NNC(=O)NCc1ccco1	138867991	VSBRQOVUJNCPSK-UHFFFAOYSA-N	317.301	1.081	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc(C[S@@](C)=O)c2)o1	84291325	DEPUZXKIIMHLJJ-QFIPXVFZSA-N	320.370	1.541	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3	190069070	TUIVHNVCJOSLIP-UHFFFAOYSA-N	315.373	1.579	50	20	DDGD	
CN(C)C(=O)N1CCC(C(=O)NNc2ccc(F)cc2)CC1	45080523	DCFYUUDJSSFEJW-UHFFFAOYSA-N	308.357	1.662	50	20	DDGD	
CCc1nc(CCNC(=O)NNC(=O)c2ccc(C)o2)cs1	84156528	CYNLHFRKTRYEPW-UHFFFAOYSA-N	322.390	1.794	50	20	DDGD	
CNC(=O)NNC(=O)CCOc1ccccc1Br	48950225	UKUJQRKNVFAKEW-UHFFFAOYSA-N	316.155	1.178	50	20	DDGD	
C[C@@H](Sc1ccccn1)C(=O)NNC(=O)Cc1ccncc1	84981289	RCRMWIDVCVMHQD-LLVKDONJSA-N	316.386	1.347	50	20	DDGD	
NC(=O)CSCC(=O)NNc1c(Cl)cccc1Cl	133096245	YPORXQWORLABJE-UHFFFAOYSA-N	308.190	1.655	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc(OC)c(-c2ccccn2)c1	132424144	OBEBGQHWTNVDDD-UHFFFAOYSA-N	300.318	1.331	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCOc2ccccc2F)o1	84285279	IZUZNAHUUIEPRP-UHFFFAOYSA-N	306.293	1.957	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC[C@@H](C)Cn2ccnc2C)o1	84435398	VURFCFRWBRWBOZ-SNVBAGLBSA-N	319.365	1.373	50	20	DDGD	
O=C(CC1(O)CCCC1)NNC(=O)NCCc1cccs1	81296422	RFVXPKDFRGBNCP-UHFFFAOYSA-N	311.407	1.316	50	20	DDGD	
C[C@@H](OC[C@H]1CCCCO1)C(=O)NNC(=O)CC1CCCC1	195207625	KSRZAJMLOYDZDM-TZMCWYRMSA-N	312.410	1.688	50	20	DDGD	
Cn1cncc1CCC(=O)NNC(=O)c1cccc2ccccc12	193335871	AWVKNPMSNWVIEW-UHFFFAOYSA-N	322.368	1.967	50	20	DDGD	
COC[C@@H](C)NC(=S)NNC(=O)NCCc1cccs1	144929980	JZIKVKCMLQVPHU-SECBINFHSA-N	316.452	1.004	50	20	DDGD	
CCN1C[C@@H](C(=O)NN=c2sc3ccccc3n2C)CC1=O	255470072	ILFYWMQRENZQJK-JTQLQIEISA-N	318.402	1.040	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)N[C@H]2CCC[C@H]2C)cc1	264466245	ZXJNBLZWLSPPBT-RISCZKNCSA-N	321.377	1.593	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cc(Br)ccc1O	264945498	SDASYNSGLBDNJP-UHFFFAOYSA-N	313.151	1.716	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(C(C)(C)C)on2)n1	266915105	JXXNBHRIDWAHID-UHFFFAOYSA-N	305.338	1.836	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)NC2CCCC2)cc1	265302523	YLQFTCNGWFESOR-UHFFFAOYSA-N	304.350	1.207	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@@H]2Cc3cc(F)ccc3O2)n1	364276935	DSPZMKLJNVCFPJ-LBPRGKRZSA-N	317.324	1.129	50	20	DDGD	
COC(=O)c1cccc(NS(=O)(=O)CCCCCl)c1O	276173213	DAAPPDLABCTMMS-UHFFFAOYSA-N	321.782	1.940	50	20	DDGD	
CCOc1cc2c(cc1NC(=O)NNC(=O)C1CC1)OCCO2	275323651	UJDJVFWVFZRBTC-UHFFFAOYSA-N	321.333	1.419	50	20	DDGD	
CCCCOCC(=O)NNC(=O)CSc1ccccc1O	270745872	YWUPRHTURUQOMG-UHFFFAOYSA-N	312.391	1.448	50	20	DDGD	
CCOc1ccc(C(=O)NNc2nccnc2OC)cc1OC	274077236	KZGRLTMGEMSNJJ-UHFFFAOYSA-N	318.333	1.649	50	20	DDGD	
O=S(=O)(CBr)NCCOc1ccc(F)cc1	272760293	CIJZSWUNIYKGQS-UHFFFAOYSA-N	312.160	1.476	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(F)cc1F)n1nnnc1C(C)(C)C	273538804	WTBLPIYPISALGP-QMMMGPOBSA-N	324.335	1.953	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccc([N+](=O)[O-])cc1Cl)C(=O)OC	276719385	KFQUIBIVRPQVGP-QMMMGPOBSA-N	315.713	1.891	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Cc1csc(N2CCCC2=O)n1	278899848	FQEWURFJXNHOPE-UHFFFAOYSA-N	324.406	1.006	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc(C(C)C)[nH]n1	279135901	BQIUFDUBAOEHKZ-UHFFFAOYSA-N	312.370	1.083	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCc2ncoc2C)cc1	271854441	YEFNWLDVMXTWFY-UHFFFAOYSA-N	318.333	1.201	50	20	DDGD	
Cc1cc(NNC(=O)c2cncc(-c3cnn(C)c3)c2)ncn1	377679263	NHUTXMSHFRDCSH-UHFFFAOYSA-N	309.333	1.337	50	20	DDGD	
CSSCCNC(=O)N1C[C@H](N2CCOCC2)C[C@@H]1C	376493326	YRGSVVQHZKYWGT-NWDGAFQWSA-N	319.496	1.502	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)N1CCc2cc(F)ccc21	283197661	HKFFDWMEBJCSLB-UHFFFAOYSA-N	323.324	1.271	50	20	DDGD	
COC(=O)N(C)NC(=O)C(C)(C)NC(=O)Nc1ccccc1	286528631	XZJYEJSCXNFVCT-UHFFFAOYSA-N	308.338	1.316	50	20	DDGD	
CC(C)SCCNC(=O)NNc1ccc(-n2cccn2)nn1	288148739	ZAVSKSQGOPQZAW-UHFFFAOYSA-N	321.410	1.430	50	20	DDGD	
COCCN(C)NC(=O)Cc1cc(Cl)c2c(c1)OCCO2	288595956	SSHDNPXNJFWMEY-UHFFFAOYSA-N	314.769	1.263	50	20	DDGD	
C[C@@]1(C(N)=O)CCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C1	280814130	UDOSCABIFKGMHM-DTHCKZEYSA-N	300.318	1.657	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1	286282366	OGXSNLFDDKCPKI-WUNNSPOASA-N	306.284	1.450	50	20	DDGD	
CN(CCC(=O)NNC(=O)c1ccccc1)C(=O)OC(C)(C)C	286272631	UEEZYVVLWKWRAZ-UHFFFAOYSA-N	321.377	1.705	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@H]1C[C@@H](c2ccccc2)OC1=O	809754732	GBTQOVCMTRRVMO-OLZOCXBDSA-N	315.304	1.968	50	20	DDGD	
CC1=C(C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)CCC1	801111717	VQXBDTYJNWBZBA-UHFFFAOYSA-N	301.346	1.581	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNC(=O)Nc1ccccc1	801992282	HMJZYJBQLOOZMQ-UHFFFAOYSA-N	307.350	1.819	50	20	DDGD	
COc1cccc(CCNC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	297673935	VZJDUQFQMGTBLJ-FZMZJTMJSA-N	321.377	1.136	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2cccc(Cl)n2)CCC1	293700983	NHUNRHAANNATLM-UHFFFAOYSA-N	303.771	1.145	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](c2nncn2C)C(C)C)o1	805766456	KCEZXXWCIWGILO-LLVKDONJSA-N	320.353	1.058	50	20	DDGD	
CC(F)(F)CCNC(=O)NNC(=O)Cc1ccccc1F	297132084	IXLUEIXABZBARC-UHFFFAOYSA-N	303.284	1.744	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@H]1CC(=O)N(C2CC2)C1	805465159	VQHQBTNTKMAAGN-NSHDSACASA-N	315.377	1.198	50	20	DDGD	
CC(C)(C)n1cnc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])n1	291957012	RAQJARQWJHJFAC-UHFFFAOYSA-N	322.300	1.837	50	20	DDGD	
NC(=O)c1ccccc1NCC(=O)NNc1ccc(F)cc1F	809666689	IJQWDLWZVXAFLM-UHFFFAOYSA-N	320.299	1.619	50	20	DDGD	
Cc1ncc2n1CC[C@@H](C(=O)NNc1cccc([N+](=O)[O-])c1)C2	290889057	BYHZTNUHFMUBKQ-LLVKDONJSA-N	315.333	1.805	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CSC(F)F)cc1	295557079	YSOOQZGFZFYOLV-UHFFFAOYSA-N	303.334	1.510	50	20	DDGD	
COC[C@H](C)OC(=O)/C(C#N)=C\c1ccc(O)c([N+](=O)[O-])c1	298794480	JSTPLIDNEHPEAK-BVBCSLMJSA-N	306.274	1.785	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H]1CCCN(C(N)=O)C1	805376643	FAYJPYXCHCZFKR-JTQLQIEISA-N	321.337	1.137	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(O)c(F)c1	807368332	CIAPJOGBFPYBFU-UHFFFAOYSA-N	314.313	1.082	50	20	DDGD	
COC(=O)c1ccc(Br)c(NNC(=O)C(F)F)c1	816717710	NQWNEKKZUONZTQ-UHFFFAOYSA-N	323.093	1.944	50	20	DDGD	
CSC1(CNC(=O)NNc2ccc(C)cn2)CCN(C)CC1	811943914	OZYOHLAUBYKWAY-UHFFFAOYSA-N	323.466	1.844	50	20	DDGD	
C[C@H](C=NNC(=O)Cc1cc(O)nc(O)n1)C1CCCCC1	814859882	FIFNIMPYGATGFL-SNVBAGLBSA-N	306.366	1.749	50	20	DDGD	
COc1cccc2c1OCC(C(=O)NNc1ncncc1F)=C2	817081017	NKBIMUQCVILEJQ-UHFFFAOYSA-N	316.292	1.543	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)COc1ccccc1F)n1cccn1	819004035	KABDIZRYFTUMFX-NSHDSACASA-N	320.324	1.200	50	20	DDGD	
COC(=O)[C@H]1C[C@H]2CC(=NNC(=O)c3ccc(O)cc3)[C@H]1C2	817322396	WDGPOVQRDMXJPT-XDTLVQLUSA-N	302.330	1.697	50	20	DDGD	
COCCOCc1ccc(C=NNC(=O)Cc2cc[nH]n2)cc1	814956498	AUUNIQSSGIZCRM-UHFFFAOYSA-N	316.361	1.266	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccnc(Cl)c2C)n1	810290384	RIIYZUVORGHQKL-UHFFFAOYSA-N	308.729	1.991	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C[C@@H](c1ccccc1)c1ncc[nH]1	819918986	FRAFYQOENBDJRJ-ZDUSSCGKSA-N	315.377	1.624	50	20	DDGD	
CN(NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)C1CC1	819642455	IRDXWQYJQLQQDD-UHFFFAOYSA-N	323.418	1.138	50	20	DDGD	
COCCC(COC)=NNC(=O)Cn1ccc2ccccc21	812225746	PAUPJMMXAYYQJR-UHFFFAOYSA-N	303.362	1.796	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNc3ncncc3F)n[nH]2)o1	817081542	FWIVQYKXLRBGFF-UHFFFAOYSA-N	302.269	1.664	50	20	DDGD	
O=C(O)[C@H]1CCN1S(=O)(=O)c1ccc(CCCCl)cc1	812447503	KEOHPYSUKRDRAT-GFCCVEGCSA-N	317.794	1.706	50	20	DDGD	
Cc1nnc(NNC(=O)C[C@@H](C)c2ccccc2F)nc1O	726797852	CVBSYQMCEDZPFC-MRVPVSSYSA-N	305.313	1.662	50	20	DDGD	
O=C(NCC(Cl)Cl)[C@H]1COCCN1CC(F)(F)F	816604393	ITHXYUNISRXDKE-ZCFIWIBFSA-N	309.115	1.169	50	20	DDGD	
Cc1cc(C#N)cnc1C(=O)NNc1cc(C#N)cc(Cl)n1	815906320	VCPRIQQQZKKONC-UHFFFAOYSA-N	312.720	1.939	50	20	DDGD	
Cn1nncc1NNC(=O)c1cnc(-c2ccccc2F)s1	816769786	WGNXVYFNTLETHR-UHFFFAOYSA-N	318.337	1.835	50	20	DDGD	
COCc1ccccc1CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	825619645	RQCSTQJWJAESOK-SMDDNHRTSA-N	321.377	1.088	50	20	DDGD	
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cccn1C	495430254	SVOVTXDWJLKWFN-SNVBAGLBSA-N	324.381	1.089	50	20	DDGD	
CN(C)C(=O)NNC(=O)CCOc1ccc(Cl)c(F)c1	824627664	RRQSXLAGYDCJHH-UHFFFAOYSA-N	303.721	1.550	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1	823951050	HKLASRRYLFCPSO-CZUORRHYSA-N	323.412	1.524	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)NNc1ncccc1C)C2	496432060	QHHQUHJWSZGGMO-AVGNSLFASA-N	316.361	1.476	50	20	DDGD	
O=C(Cn1nc(C(F)F)cc1C1CC1)NNc1cccnn1	821856755	NCTZPQHIXXTPFQ-UHFFFAOYSA-N	308.292	1.631	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CN(C)CC(C)(C)C)c1	821798084	VPNMMIBMQRNKRP-UHFFFAOYSA-N	307.394	1.894	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@@H]1COc2cc(F)ccc2C1	822519113	YFKUINXOKIESHY-NSHDSACASA-N	309.341	1.506	50	20	DDGD	
O=C(O)CCCCNC(=O)NNC(=O)c1cccc(Cl)c1	821518934	SOHSVZLMXUNIQZ-UHFFFAOYSA-N	313.741	1.539	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCc1nccn1C(F)F	726710352	WBCHEKBVSICIIN-UHFFFAOYSA-N	323.303	1.731	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1C[C@H](c2ccccc2)C1	826693542	WJAPMEULFDFHFL-MXAVVETBSA-N	317.389	1.688	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccnn1CCc1ccccc1	823906826	DBFSSHLTEHBBBT-CYBMUJFWSA-N	302.378	1.083	50	20	DDGD	
Cc1ccccc1C[C@@H](CO)NC(=O)/C(C#N)=C/c1cnn(C)c1	491135143	SLSKEVSAVUDILB-BNSMALCHSA-N	324.384	1.355	50	20	DDGD	
O=C(Cc1csc(-c2cccs2)n1)N1CC[C@@H](B(O)O)C1	585069254	KFBAXSOKHSYGDS-SECBINFHSA-N	322.220	1.489	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)c1F	909362163	RQEDPKMFGRZOED-NZXMKCKXSA-N	306.293	1.281	50	20	DDGD	
COC(=O)[C@H](CC(F)F)NC(=O)[C@]1(C)C[C@H]1Br	824113402	ZNGPXTUWSZNGME-BAJZRUMYSA-N	314.126	1.473	50	20	DDGD	
OB(O)c1ccc(CN[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)o1	585019106	BSCCLRIWVZYWFM-GOEBONIOSA-N	319.141	1.108	50	20	DDGD	
COc1cc(NCc2ccccc2B(O)O)cc(OC)c1C	585043320	MTCOPUVMPVVORB-UHFFFAOYSA-N	301.151	1.304	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1ccc([N+](=O)[O-])cc1	494434670	MFMUTIREYWBEOC-UHFFFAOYSA-N	322.321	1.570	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c(C)n1C	826260017	RGPXNZISJWYJHQ-UHFFFAOYSA-N	311.349	1.579	50	20	DDGD	
C=Cc1ccc(CCNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	826841598	WWASWXNKSWWKKO-WFASDCNBSA-N	317.389	1.628	50	20	DDGD	
O=C(NCCc1ccc2c(c1)OCO2)NNc1cccnn1	736372555	NCCDXOXKKGZWDR-UHFFFAOYSA-N	301.306	1.074	50	20	DDGD	
CC(C)N(C)Cc1ccc(CNCc2ccc(B(O)O)o2)cc1	585032018	OGQMLKOJPFZTBM-UHFFFAOYSA-N	316.210	1.089	50	20	DDGD	
CSc1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)o1	732749845	HVFOBYBUJRWGBF-UHFFFAOYSA-N	320.326	1.805	50	20	DDGD	
N#C/C(=C/c1cn(CC(=O)O)nn1)C(=O)c1cc(F)cc(F)c1	588598375	XTNHNAYVFLAUSM-OQFOIZHKSA-N	318.239	1.431	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNc2cc(F)c(F)c(F)c2)CC1=O	839696299	QENHNBAWSLMDDR-QMMMGPOBSA-N	315.295	1.806	50	20	DDGD	
Cc1nn2cccnc2c1C(=O)NNc1cnnc2ccccc12	733811429	IFQOAGGEMMXNSC-UHFFFAOYSA-N	319.328	1.738	50	20	DDGD	
CN(CC(=O)NNC(=O)C1CC1)Cc1cccc2ccccc12	733194359	LXOJDAPTPGULQO-UHFFFAOYSA-N	311.385	1.829	50	20	DDGD	
C[C@@H](Cc1c(F)cccc1F)NCc1ccc(B(O)O)cc1	585017083	KRDFNSOQWXVWKJ-NSHDSACASA-N	305.133	1.365	50	20	DDGD	
O=C(N[C@H]1CC[C@H](c2ccccc2)C1)c1ccc(B(O)O)cc1	584970721	RRHRGVKYMNCSFV-RDJZCZTQSA-N	309.174	1.433	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1nnn(-c2ccccc2)c1C	735411274	USOLMONTHVCYGD-UHFFFAOYSA-N	323.360	1.463	50	20	DDGD	
CN(CC(=O)NNC(=O)Nc1ccc(Cl)cc1)C1CCC1	908051679	UAZROXZDLWFODH-UHFFFAOYSA-N	310.785	1.977	50	20	DDGD	
N#C/C(=C/c1c[nH]c(C(=O)O)c1)C(=O)NCCc1ccccc1	833062646	CZTYFANIRSXCMQ-ZSOIEALJSA-N	309.325	1.979	50	20	DDGD	
O=C(NN=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCCCO1	834985398	IAJZJDSLWJIXEY-LBPRGKRZSA-N	322.277	1.522	50	20	DDGD	
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@]1(C)C[C@@H]1Br	906973986	WSVKSWJQSXDTKR-HFHAKLMTSA-N	301.228	1.759	50	20	DDGD	
CON(C)C(=O)CCC(C)=NNC(=O)Cc1csc(C)n1	834926523	PMOYMNKIKXQBQM-UHFFFAOYSA-N	312.395	1.286	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)[C@@H]2CCO[C@H]2C)c(F)c1	905485342	WDEWATCPZAHLFD-JOYOIKCWSA-N	308.309	1.487	50	20	DDGD	
O=C(NCC1CCSCC1)NNC(=O)[C@@H]1CCCCO1	838472180	QPVDKQOYCLIRSI-NSHDSACASA-N	301.412	1.029	50	20	DDGD	
CC[C@H]1[C@@H](C)CCN1CC(=O)NNC(=O)c1ccc(C#N)cc1	839562764	CAUHSTKGLFROQY-WFASDCNBSA-N	314.389	1.440	50	20	DDGD	
CC(C)(O)C(C)(C)CNC(=O)NNc1ncncc1Cl	836653096	IXCIHMVULDZVEG-UHFFFAOYSA-N	301.778	1.553	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(C)c(C)cc1C	730576518	RNDREWHIESVDJB-AWEZNQCLSA-N	322.430	1.887	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])Nc1nc2n(n1)CCCC2	836775452	UXIAMOIXSGGISL-UHFFFAOYSA-N	317.309	1.671	50	20	DDGD	
COCCCNC(=O)NN=C[C@](C)(CN(C)C)c1ccccc1	834947072	YYBLYJLXDVJQET-QGZVFWFLSA-N	320.437	1.827	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)Sc1ccc(C#N)cn1	734982038	ISCARUGLHDKKGJ-SNVBAGLBSA-N	306.391	1.627	50	20	DDGD	
Cc1cc(F)c2nc(O)cc(C(=O)NN(C)C[C@H](C)O)c2c1	910152908	WXJJCWKEOWIEOZ-VIFPVBQESA-N	307.325	1.345	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)c1cccc(O)c1	838808620	HOFDEEHNZYKNMP-UHFFFAOYSA-N	321.427	1.805	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cnc(OCc2ccccc2)cn1	910151957	HOJZRTZNSSDXRJ-LBPRGKRZSA-N	316.361	1.013	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(C3OCCO3)cc2)n1	831882064	QXOVWLIIZQKZFZ-UHFFFAOYSA-N	315.329	1.893	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@H]1CCc2c(O)cccc21	745865751	QIFOZRVCQNQPTH-NSHDSACASA-N	300.318	1.352	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)Cc2ccc(F)cc2)o1	915951431	KGAVZTINXWJRNG-UHFFFAOYSA-N	304.277	1.898	50	20	DDGD	
COCCCNC(=O)NN=Cc1cccc(OC(F)F)c1	747049009	BHEWMDOOKBYPJE-UHFFFAOYSA-N	301.293	1.958	50	20	DDGD	
COc1ccnc(NNC(=O)C[C@H](C)n2nc(C)cc2C)n1	917099568	KNSQRXKCXFSOHV-NSHDSACASA-N	304.354	1.393	50	20	DDGD	
CSCc1ccc(C(=O)NNc2nccn(C)c2=O)cc1	747938672	XQUGTDYQDUGIRG-UHFFFAOYSA-N	304.375	1.400	50	20	DDGD	
O=C(Cc1cccc(C2CC2)c1)NNC(=O)NCC(F)(F)F	840445071	KIPFHABUHBVKRL-UHFFFAOYSA-N	315.295	1.999	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNc1nc2ccccc2n1C	848380511	IHPMLSKIQHGYPE-SNVBAGLBSA-N	304.350	1.606	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccc(N(C)C)s2)n1	916343165	NUXQTEXJDOKBPQ-UHFFFAOYSA-N	305.407	1.778	50	20	DDGD	
O=C(NCC[C@@H]1CCNC1)NNC(=O)c1cc2ccccc2o1	841939757	YFCDUTCFRFVZFB-NSHDSACASA-N	316.361	1.376	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2CC(=O)N(C)C2)c1C	914833728	IQSWQJHAVQJPRF-LLVKDONJSA-N	320.418	1.099	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C1(C(N)=O)CCC1	840549014	OSFXQVKJZWAJDR-UHFFFAOYSA-N	311.773	1.352	50	20	DDGD	
CCOc1ccc(NNC(=O)NCC[C@@]2(O)CCCOC2)cc1	845720975	KABGPVQBAGIVFQ-INIZCTEOSA-N	323.393	1.643	50	20	DDGD	
CNCCCNC(=O)NNC(=O)c1ccc(Cl)cc1Cl	841914745	JSASPQMZUOXVMM-UHFFFAOYSA-N	319.192	1.547	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNc1ncc(Br)cn1	848322379	YZFPSNDVWHRELW-SNVBAGLBSA-N	301.144	1.009	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@@H](CO)[C@H]1CCCOC1	840522386	LJMDYOPNFQPJGF-GARJFASQSA-N	322.243	1.700	50	20	DDGD	
COC(=O)[C@H](O)C1CCN(/C(=C\C#N)c2ccccc2)CC1	749534762	CMBJBMBQFBOBCW-NXADEVLQSA-N	300.358	1.797	50	20	DDGD	
CC(C)CCOc1ccc(C(=O)NNC(=O)N[C@H](C)CN)cc1	841968619	CDCWUCNHQLBSEU-GFCCVEGCSA-N	322.409	1.403	50	20	DDGD	
O=C(NN=Cc1ccccc1OC(F)(F)F)N1CCOCC1	745591186	SCTZWDUBQYESMX-UHFFFAOYSA-N	317.267	1.961	50	20	DDGD	
CCC/C=C/C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1	744775362	TZHCKIHIUVLWOF-SNAWJCMRSA-N	315.329	1.219	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NNc2cnccn2)C1	843857702	ABHKWKAOFGIMRQ-AOOOYVTPSA-N	307.354	1.223	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(C(C)C)n1	843663664	ZEQVLIVRXJPGIB-NEPJUHHUSA-N	305.378	1.699	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(Br)co1	843663126	WTKSVUUUKACFLI-POYBYMJQSA-N	317.139	1.228	50	20	DDGD	
CC(CCc1ccco1)=NNC(=O)Cc1cc(O)nc(O)n1	743445807	INVMBLUIGVAIFS-UHFFFAOYSA-N	304.306	1.148	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1ccc(/C=C\C(=O)OC)o1	848639435	ULOBPEKOIIKTBR-QEYVUMQQSA-N	304.302	1.135	50	20	DDGD	
COc1cc(C)nc(NNC(=O)COc2cccc(C#N)c2)n1	746623307	LJNJCWKYZNCZEI-UHFFFAOYSA-N	313.317	1.187	50	20	DDGD	
CCCc1ccc(CCCC(=O)NNC(=O)C(C)(C)O)cc1	843864823	MBVWHAVNPMUFDO-UHFFFAOYSA-N	306.406	1.880	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CCCc2ccccc2)sn1	857109580	NHRNFKFOOVOFQH-UHFFFAOYSA-N	319.386	1.936	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	755050335	XRYWHLRGUZRMON-GHMZBOCLSA-N	312.341	1.413	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)[C@](C)(O)CC)cc1OC	929320542	YRWRGZDTCUHPID-MRXNPFEDSA-N	324.377	1.406	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@H](Oc1ccccc1)C(C)(C)O	854162402	HHXIWQZFAVMERU-LBPRGKRZSA-N	324.377	1.761	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2	755078638	PPOSPGDGPSINTN-MJBXVCDLSA-N	321.421	1.855	50	20	DDGD	
C=CCN(CC(=O)NNC(=O)c1ccc(C#N)cc1)C(C)(C)C	852554148	DBWFMKBMHZKTPP-UHFFFAOYSA-N	314.389	1.606	50	20	DDGD	
C[C@]1(CNC(=O)NCC2=CCNCC2)C[C@@H]1Br	857103453	JMSJSOALXLKUJY-CMPLNLGQSA-N	302.216	1.379	50	20	DDGD	
CO[C@H](C)CNC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	852535462	DVFGRZODZBAWQG-SNVBAGLBSA-N	309.370	1.123	50	20	DDGD	
CCc1n[nH]cc1C(=O)NNc1cccc(C(=O)OC)c1C	855627774	BGGPQIYDNRLPCO-UHFFFAOYSA-N	302.334	1.824	50	20	DDGD	
COc1cccc([C@H](CNC(=O)NNc2cccnn2)OC)c1	858654575	RHZMQFIOJUBNMK-ZDUSSCGKSA-N	317.349	1.499	50	20	DDGD	
Cn1nc(C(C)(C)C)cc1C(=O)NNc1ncc(Cl)cn1	857356232	WYUTVJMMNPYUFW-UHFFFAOYSA-N	308.773	1.918	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cccc2[nH]ccc12	755583999	ILQZPCNUIWDHRU-ZDUSSCGKSA-N	314.389	1.586	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Nc2nnc3ccccn23)cc1	756432957	LUGMCGOVCPJKOY-UHFFFAOYSA-N	321.300	1.067	50	20	DDGD	
C[C@]1(CNC(=O)N[C@H]2CCCCNC2=O)C[C@@H]1Br	856717889	HABRDWBXHOKKPX-HOTUBEGUSA-N	318.215	1.128	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C	857221738	NOAHDYGBKQYBBG-UHFFFAOYSA-N	317.323	1.151	50	20	DDGD	
CC(=O)N1CCN(C[C@@H](CBr)C2CC2)[C@@H](C)C1	859165923	NEGUQCVSAGUVLD-GXFFZTMASA-N	303.244	1.960	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=Cc1cccc(F)c1O	755679514	PUSLIGXPCKXNEP-UHFFFAOYSA-N	321.333	1.473	50	20	DDGD	
COc1cc(CC(=O)NN=c2cc[nH]cc2Cl)ccc1O	857486911	QQNLNHNRYKCWPT-UHFFFAOYSA-N	307.737	1.557	50	20	DDGD	
Cc1nnc(CN(C)C(=O)NNC(=O)c2ccccc2C)s1	851917493	GCCGZNMNJUHSMC-UHFFFAOYSA-N	319.390	1.641	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c2ccccc21	853390105	LPIKGWFPJFNFOJ-XNJGSVPQSA-N	313.401	1.877	50	20	DDGD	
CC(C)CCC1CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1	858696263	LOIXRGNEQYVHAW-ZDUSSCGKSA-N	324.425	1.154	50	20	DDGD	
CC(C)(C)OCc1ccccc1C(=O)NNC(=O)c1cc[nH]n1	855357718	QBRRPOXJRSFXCM-UHFFFAOYSA-N	316.361	1.800	50	20	DDGD	
CC1(N)CCN(C(=O)NC[C@@]2(C)C[C@@H]2Br)CC1	857105804	SBWVWGIQBAZCMZ-GXSJLCMTSA-N	304.232	1.683	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1nc2cccnc2s1	855090438	WMJMQHYFXXUEHT-UHFFFAOYSA-N	321.431	1.600	50	20	DDGD	
CCc1cnc(O)c(C(=O)NNC(=O)OCC(F)(F)F)c1	856026657	GWWAIMKHBMEPSV-UHFFFAOYSA-N	307.228	1.283	50	20	DDGD	
COc1ccc(CN(C)C(=O)NNC(=O)C2CCCC2)cn1	753339319	IZZMQXRMSFVDRL-UHFFFAOYSA-N	306.366	1.453	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)N[C@H](C)C2CCC2)cc1	756734518	RTOCXSNXIXSTIM-LLVKDONJSA-N	321.377	1.593	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)C[C@H]1Br	857385926	NUQJQRBBDLJIGZ-FTJJUOQNSA-N	300.196	1.891	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1cc2c(cc1O)OCO2	757417891	VHIAFLLTBHJJGV-UHFFFAOYSA-N	307.693	1.348	50	20	DDGD	
NS(=O)(=O)CCCCCC(=O)NNc1ccnc(Cl)c1	855465802	CFADTXGWKFSCIU-UHFFFAOYSA-N	320.802	1.027	50	20	DDGD	
C[C@H](CCCO)CNC(=O)NC[C@@]1(C)C[C@H]1Br	856957787	HPTUQIKWSPMCEH-CKYFFXLPSA-N	307.232	1.868	50	20	DDGD	
C[C@@H](C(=O)NCCCSC#N)N1C(=O)[C@H]2CCCC[C@H]2C1=O	854363379	YAMLZORUJFUACK-SDDRHHMPSA-N	323.418	1.271	50	20	DDGD	
O=C(NCCOCCF)NNC(=O)c1cccc(Cl)c1	852715742	WABOEBUAQGGWKB-UHFFFAOYSA-N	303.721	1.270	50	20	DDGD	
CCn1cnnc1CCNC(=O)/C(C#N)=C/c1ccc(F)cc1	752092727	MEZYFLUCYHZNIQ-UKTHLTGXSA-N	313.336	1.703	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCCC[C@H]1[C@H](C)CO	852426357	PJRWTYPKYHQNRG-RDBSUJKOSA-N	313.442	1.051	50	20	DDGD	
O=C(NN=Cc1ccc(Br)nc1)c1cnccn1	756880441	MUTGYLHDFYEODB-UHFFFAOYSA-N	306.123	1.398	50	20	DDGD	
COc1ccc(COCC(=O)NN=c2cc[nH]cc2Cl)cc1	757421746	DKHOZMXLPJNWFT-UHFFFAOYSA-N	321.764	1.825	50	20	DDGD	
C[C@H]1C[C@H]1C(=O)NCCSSCCNC(=O)[C@H]1C[C@H]1C	862276705	ARADBVJQCUQWPC-IWDIQUIJSA-N	316.492	1.912	50	20	DDGD	
C[C@@H](NNC(=O)Cn1cnc2sccc2c1=O)C(F)(F)F	862304829	FXXKCNWCIKNHBS-ZCFIWIBFSA-N	320.296	1.030	50	20	DDGD	
CC(C)(C)OC(=O)Cn1cc(C(=O)NNc2ccccc2)nn1	866864793	VEUJHRGFSUUKPZ-UHFFFAOYSA-N	317.349	1.377	50	20	DDGD	
COC[C@H](C)n1ccc(NC(=O)NNc2cccc(C)n2)n1	860981441	LHTKWHPBLNBCCX-NSHDSACASA-N	304.354	1.943	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1c(Cl)cccc1[N+](=O)[O-]	863148055	RYTIDONLRWKXAT-VIFPVBQESA-N	324.724	1.367	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)CN2CCCC2=O)[C@@H](C)C1	761254225	NKOQSPUVIBKYTB-NWDGAFQWSA-N	323.393	1.080	50	20	DDGD	
COCCOc1ccc(NC(=O)NNc2cnccn2)cc1F	769976867	IHUHENPBYBTXAN-UHFFFAOYSA-N	321.312	1.790	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)Nc1cc(F)cc(F)c1)C1CC1	861566472	WPFFETBPPCMHQT-LBPRGKRZSA-N	313.304	1.933	50	20	DDGD	
O=C(NNc1c(F)cccc1F)c1ccc2nnc(O)n2c1	763091474	KMNOJQONJYICKQ-UHFFFAOYSA-N	305.244	1.470	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1cccc(COC(C)(C)C)c1C	763518525	WSTACCOCIBMLON-UHFFFAOYSA-N	321.377	1.416	50	20	DDGD	
COc1ccc2c(c1)[C@@H](C(=O)NNc1nnc(C)c(O)n1)CC2	762840298	DYAQBAUGHDGDDI-NSHDSACASA-N	315.333	1.067	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cncc2ccccc12	764081933	LAFRISCTSMEDOT-SNVBAGLBSA-N	314.345	1.367	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NN=C1CCS(=O)CC1	761800541	FZFDYZNPDYCBKQ-UHFFFAOYSA-N	304.375	1.271	50	20	DDGD	
CC(=O)C[C@@H]1COCCN1S(=O)(=O)CC(C)(C)CCl	867088272	OPESKTZCUUYFBI-LLVKDONJSA-N	311.831	1.261	50	20	DDGD	
O=S(=O)(NCC(Cl)Cl)c1c[nH]nc1C(F)(F)F	867469620	FXVUGFHJHILVMQ-UHFFFAOYSA-N	312.100	1.511	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)NC)cnn1-c1ccccc1C	760149166	QCTVPWYKOTXZFU-UHFFFAOYSA-N	315.377	1.707	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc2cccnc2c1	869879216	ZZLIMRRFHKXBIZ-JTQLQIEISA-N	315.329	1.338	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(F)=C1CCCC1	762591016	BHIOSUAAEOHLIM-ZDUSSCGKSA-N	320.320	1.771	50	20	DDGD	
Cc1cc(NNC(=O)[C@@]2(C)COc3ccccc3O2)ncn1	863875491	YRSIODXSPALIMJ-OAHLLOKOSA-N	300.318	1.458	50	20	DDGD	
COC(=O)[C@H](NC(=O)[C@@H](Br)C(C)(C)C)C1CC1	768208483	OIGUCRGFZDLQEJ-RKDXNWHRSA-N	306.200	1.864	50	20	DDGD	
C[C@](O)(Cc1ccccc1)C(=O)NN=c1cc[nH]cc1Cl	768444832	XKWUQNQNTVQKQL-HNNXBMFYSA-N	305.765	1.594	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2CCC(=O)C2)cc1C	873762356	WIOYHONLXYYZGQ-LLVKDONJSA-N	305.403	1.990	50	20	DDGD	
COCCOCC(=O)NN=Cc1cc(OC)c(O)cc1Cl	872399191	CMAYNLOYFPVWGW-UHFFFAOYSA-N	316.741	1.167	50	20	DDGD	
CNC(=O)Cc1ccccc1NC(=O)NNc1ncccc1C	1116770679	IIFJNTKWVUMABG-UHFFFAOYSA-N	313.361	1.827	50	20	DDGD	
COc1ccc(-c2nc(C)c(C(=O)NN(C)C(N)=O)s2)cc1	778415916	VCCBQLLCAJQEFE-UHFFFAOYSA-N	320.374	1.782	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)c1ccco1	772156256	CFZOZCWOPULGOJ-MNOVXSKESA-N	310.350	1.508	50	20	DDGD	
CO[C@@]1(C=NNC(=O)c2nc3ccccc3s2)CCOC1	872437610	MRWFXJWAUWJFPD-CQSZACIVSA-N	305.359	1.817	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1c(C)noc1-c1ccccc1	773491059	KDELSDANOPXPBR-UHFFFAOYSA-N	316.317	1.146	50	20	DDGD	
N#Cc1ccc(Cl)c(C(=O)NNc2nncc(N)c2Cl)c1	1117115581	MIDPQJURYSAPTF-UHFFFAOYSA-N	323.143	1.994	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)Cc2nonc2C)c1	873757080	WGVFUGPOMWZBOI-UHFFFAOYSA-N	319.390	1.555	50	20	DDGD	
COC[C@@H](C)C(C)=NNC(=O)CSc1nc(C)cc(C)n1	777877042	FIFOQMOKAPAOOT-SECBINFHSA-N	310.423	1.960	50	20	DDGD	
COC(=O)c1cc(NC(=O)NN(C)C(=O)OC)c(C)s1	879855682	AFITWLBZURFVGA-UHFFFAOYSA-N	301.324	1.578	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccnn2CCC(C)C)n1	779470998	LIZWHGVQZSQEIJ-UHFFFAOYSA-N	319.369	1.876	50	20	DDGD	
CNC(=O)NNC(=O)Cc1ccc(F)cc1Br	776976191	SGDSCUNCCZQFEU-UHFFFAOYSA-N	304.119	1.091	50	20	DDGD	
COCc1ccccc1S(=O)(=O)NNC(=O)C1CCCC1	778557636	KQOOJMFCZMPNCJ-UHFFFAOYSA-N	312.391	1.333	50	20	DDGD	
Cc1ccccc1CCNC(=O)NNC(=O)C1CCOCC1	883069765	UZDMIDMXRLRXRX-UHFFFAOYSA-N	305.378	1.295	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2CCOCC2)c(C2CC2)n1	883071328	WBOKGKIHPWXHPS-UHFFFAOYSA-N	303.362	1.455	50	20	DDGD	
Cc1ccccc1C(C)(C)C(=O)NNC(=O)C1CCOCC1	883065890	AEJAKPCDQKHVLP-UHFFFAOYSA-N	304.390	1.847	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)c3cc4ccccc4[nH]3)nc21	770978959	BQJQJBNDZUDCLR-UHFFFAOYSA-N	323.316	1.307	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)/C=C\c2nccs2)nc1	1123640018	GHYYGQWGYDOQJC-PLNGDYQASA-N	304.331	1.481	50	20	DDGD	
Cn1cc(C#N)c(NC(=O)NNc2cccc([N+](=O)[O-])c2)n1	770056495	PHNFCQRFNMXVAN-UHFFFAOYSA-N	301.266	1.349	50	20	DDGD	
Cc1c(C(F)(F)F)n[nH]c1C(=O)NNC(=O)OC(C)(C)C	1120570594	UPVGXOIUEIFPJL-UHFFFAOYSA-N	308.260	1.906	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NC1(Cc2ccccc2)CC1	883750758	RMCSCCZULLQLOF-UHFFFAOYSA-N	324.384	1.730	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc2cnccc2c1	782230952	FWHOFXVRNPXYDP-UHFFFAOYSA-N	312.373	1.990	50	20	DDGD	
CC(=O)Nc1ccc(C)c(C(=O)NNC(=O)c2c[nH]nc2C)c1	780628186	KWYVTKXGRWWROD-UHFFFAOYSA-N	315.333	1.060	50	20	DDGD	
COc1cccc(C[C@H](O)C(=O)NNc2cccc(C#N)c2)c1	785416408	RMIXQJRZLGAUPY-INIZCTEOSA-N	311.341	1.614	50	20	DDGD	
COC(=O)Cc1csc(N(C(=O)c2occc2C)N(C)C)n1	892207003	CPXFBWMZZQLMCO-UHFFFAOYSA-N	323.374	1.883	50	20	DDGD	
O=C(NCCCNc1ccccn1)NNc1ncncc1Cl	780989954	IJUZASPFUGAOFO-UHFFFAOYSA-N	321.772	1.653	50	20	DDGD	
CC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)[C@@]1(C)CCCO1	782165910	GGJFLCFFFFUVLF-CQSZACIVSA-N	306.322	1.852	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C	781063703	MCVZJIHCOZBKJK-LLVKDONJSA-N	312.414	1.106	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CC(OCC(F)F)C1	787414210	OQSDLFAHPKZSTB-VZUCSPMQSA-N	308.284	1.792	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2	783473187	BXLMVYRFRRQRJP-RWMBFGLXSA-N	318.373	1.658	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@H]2CO[C@H](C)C2)cc1	784075531	TXKYCPBQVATTTF-DGCLKSJQSA-N	306.362	1.200	50	20	DDGD	
CCSCc1ccccc1C(=O)NNC(=O)Cc1cc[nH]n1	789934564	MGEYEZIGCDFEDQ-UHFFFAOYSA-N	318.402	1.667	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)Cc2cccnc2)c1	788259389	QHMYIXYYLVZCJQ-UHFFFAOYSA-N	313.361	1.861	50	20	DDGD	
CN(C)C1(CNC(=O)NNC(=O)Cc2ccc(F)cc2)CCC1	782632954	ACMODZFHSUFGHF-UHFFFAOYSA-N	322.384	1.183	50	20	DDGD	
CC(C)(C)N1CC[C@@H]1C(=O)NNCC(F)(F)C(F)(F)F	899141920	IIADDZMCPZXNFH-SSDOTTSWSA-N	303.275	1.678	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cn(CC)nc1C(F)(F)F	797839936	ANHNBKPLSFNROB-UHFFFAOYSA-N	321.303	1.666	50	20	DDGD	
C[C@H](C(=O)NNC(=S)NC(C)(C)C)N(C)CC(F)(F)F	899996132	OBKQUKMGILMVJI-SSDOTTSWSA-N	314.377	1.163	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cnc(CC(C)C)nc1	791948583	ARMLJYXSBDGLLI-UHFFFAOYSA-N	317.353	1.622	50	20	DDGD	
Cc1cccc(CCNC(=O)NNc2nc3ccccn3n2)n1	792236926	VILMIZAVACGEBT-UHFFFAOYSA-N	311.349	1.302	50	20	DDGD	
CC(C)(C)c1n[nH]cc1C=NNC(=O)c1ccc(O)c(O)c1	794552050	XHPFRDAQHIDQDS-UHFFFAOYSA-N	302.334	1.882	50	20	DDGD	
COC(=O)c1occc1C=NNC(=O)Cc1ccc(F)cc1	794760283	MMZCXPZOEDICTP-UHFFFAOYSA-N	304.277	1.898	50	20	DDGD	
CC[C@@H](C)CC[C@H](O)CC(=O)NNc1ccc(C(=O)OC)cn1	793735932	RZUCOGYWDYVNLM-YPMHNXCESA-N	323.393	1.889	50	20	DDGD	
C[C@@H](Oc1ccc(C=O)cc1)C(=O)NNC(=O)NCC1CC1	795587670	NVURHCBWHGBBGX-SNVBAGLBSA-N	305.334	1.007	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1c[nH]c(C(F)(F)F)c1	796302302	CSDSYGQJRIEEEN-ZCFIWIBFSA-N	321.255	1.136	50	20	DDGD	
CC(=NNC(=O)NCC1CC1)c1ccc(C(=O)N(C)C)cc1	792985022	KXMYKTHAADRVAQ-UHFFFAOYSA-N	302.378	1.822	50	20	DDGD	
C[C@@H](Cc1ccco1)NC(=O)NNc1nc2ccccn2n1	790172155	KXSJQZMFIWKZRK-JTQLQIEISA-N	300.322	1.580	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccc(Cl)nn1	792797529	FRUPASGQOAFZGE-UHFFFAOYSA-N	320.736	1.142	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=S)NC(C)(C)C)cc2n1C	798124479	WGEDEWJPGJGSPK-UHFFFAOYSA-N	319.434	1.789	50	20	DDGD	
COc1ccc(C(=O)NNc2ncnc(Cl)c2C(C)C)nn1	798142439	LTYSGFWGQNIFTI-UHFFFAOYSA-N	322.756	1.809	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1	798313474	ZZYHRWKAAZDKGI-LLVKDONJSA-N	316.361	1.159	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)CCCOC(C)(C)C	796599516	JPWVVRWWBUQVEG-UHFFFAOYSA-N	315.414	1.034	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21	796210987	WRSWGYUJMVWSTB-MRVWCRGKSA-N	304.394	1.706	50	20	DDGD	
C[C@H](Oc1ccc(/C=C(/C#N)S(=O)(=O)N(C)C)cc1)C(=O)O	794714448	RLEUSRWLASBPJB-AAIQCTMTSA-N	324.358	1.294	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H](C)C2CCOCC2)cc1	1319158645	WKWMFZBIEYGDPF-NSHDSACASA-N	321.377	1.454	50	20	DDGD	
O=S(=O)(NCc1cocn1)c1ccc(CCCl)cc1	397834831	OJQNXFSSHDLNAE-UHFFFAOYSA-N	300.767	1.934	50	20	DDGD	
Nc1cnnc(NNC(=O)c2snnc2C2CC2)c1Cl	1324753122	XOSLTYRJNBEMHK-UHFFFAOYSA-N	311.758	1.198	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccncc1)c1ccc(F)c(F)c1	1320478030	BMZDJBDPIQMTMO-SECBINFHSA-N	305.284	1.925	50	20	DDGD	
Cc1noc(Cl)c1CCC(=O)NNC(=S)NC(C)C	1322200434	PVRMXSJUFDKDGB-UHFFFAOYSA-N	304.803	1.473	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ccc3c(c2)CCC3)c1Cl	1324009410	PVXKSPBVGVFSRA-UHFFFAOYSA-N	303.753	1.958	50	20	DDGD	
Cc1csc(CCCNC(=O)NNc2ncncc2F)n1	1324163054	KMJQZPRUORSWJL-UHFFFAOYSA-N	310.358	1.640	50	20	DDGD	
COc1nc(Cl)c(C=NNC(=O)[C@@H]2CCCCO2)n1C	1324609820	DINYQWKUYGMYOZ-VIFPVBQESA-N	300.746	1.101	50	20	DDGD	
NC1(CNC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)CC1	1336972337	AQVFKJREFZITLM-UHFFFAOYSA-N	306.410	1.025	50	20	DDGD	
CC[C@H](F)C(=O)NNC(=O)c1ccc(Br)cc1	1347833932	RSXWXMDJLOGVFI-VIFPVBQESA-N	303.131	1.958	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)NCCC2CC2)C[C@H]1Br	1261766466	IKJZTTORHXPVME-SKDRFNHKSA-N	303.200	1.192	50	20	DDGD	
Cc1conc1NC(=O)C(=O)NNc1nccnc1C1CCC1	1342571815	RSPWPZKDSPGWPM-UHFFFAOYSA-N	316.321	1.122	50	20	DDGD	
CC(C)CN1CCC[C@H]1C(=O)NNC(=O)c1ccccc1F	1353277819	MRBPPDMMZWYFPE-AWEZNQCLSA-N	307.369	1.707	50	20	DDGD	
CO[C@H](C(=O)N(c1nc(CC(=O)O)cs1)N(C)C)C1CC1	1606644342	KTNNMDMEPNRZHI-NSHDSACASA-N	313.379	1.005	50	20	DDGD	
O=C(O)C12CC(C(=O)NNc3ccnc(C(F)(F)F)c3)(C1)C2	1601729097	ZTFXDURQXYHSJE-UHFFFAOYSA-N	315.251	1.798	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cc2c([nH]1)CCCC2	1609559284	SZOYWNBNPDJUAE-UHFFFAOYSA-N	323.360	1.831	50	20	DDGD	
O=C(O)CC1CC(=NNC(=O)[C@H]2COc3ccccc3O2)C1	1601941411	RMAIDMRZDBVDSK-WCRCJTMVSA-N	304.302	1.183	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2cc(C(=O)O)n(C)c2)CC1	1604751515	ILRNVARNZZEJNT-UHFFFAOYSA-N	320.393	1.295	50	20	DDGD	
CSSCCNC(=O)N1CCN(C(C)(C)C(=O)O)CC1	1607400846	QXAIIVOOCUKIES-UHFFFAOYSA-N	321.468	1.188	50	20	DDGD	
COC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CC1	1803466404	GIUSKACYWKJOBJ-YVECIDJPSA-N	314.813	1.288	50	20	DDGD	
O=C(O)c1coc(C(=O)NNc2ncnc3ccsc23)c1	1610866348	IDOJDSKLNFRKRF-UHFFFAOYSA-N	304.287	1.739	50	20	DDGD	
O=C(NN=CC1Cc2ccccc2C1)[C@H]1CN2CCC[C@H]2CO1	1549320720	NKQOSFIZFVNEGQ-DLBZAZTESA-N	313.401	1.367	50	20	DDGD	
O=C(NN=C1CC[C@@H]2COCC[C@@H]2C1)[C@H]1CN2CCC[C@@H]2CO1	1550695736	FQQUDFVNHJMMQV-RRCSTGOVSA-N	321.421	1.158	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@H]1C=NNC(=O)c1cnsn1	1552919397	IQGBFXGCBFFIPB-GXSJLCMTSA-N	320.378	1.248	50	20	DDGD	
CC[C@@H]1NCC[C@H]1C(=O)NNc1ccnc(C(F)(F)F)c1	1577308331	LTESUPVXVLDRIN-ZJUUUORDSA-N	302.300	1.932	50	20	DDGD	
N#CCc1ccc(NC(=O)NNC(=O)CCCCCN)cc1	1580055658	TUHJNTOSVBTVQV-UHFFFAOYSA-N	303.366	1.424	50	20	DDGD	
NCCCCCC(=O)NNC(=O)c1ccnc(Cl)c1F	1580292579	DLCURGRHCTVIBJ-UHFFFAOYSA-N	302.737	1.154	50	20	DDGD	
CC(C)C[C@H](CNC(=O)NNc1ccc(C#N)cn1)CC(=O)O	1588894159	IIWZUMFEAOJOEO-LBPRGKRZSA-N	319.365	1.716	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C2(C)CC=CC2)o1	1589774334	ZLCSTWZWNIGYMT-UHFFFAOYSA-N	317.353	1.778	50	20	DDGD	
CCO/C=C/C(=O)N1CC2(CCCN2C(=O)[C@H](Cl)CC)C1	1845168299	XYJWNKBLWFILJO-UVMWJGKXSA-N	314.813	1.757	50	20	DDGD	
CC(C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)=C1CCC1	1588999336	JUMXXFOSWVEWSY-UHFFFAOYSA-N	312.333	1.128	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)S)C1	1846369879	IPHYOSBXWQMZGL-NXEZZACHSA-N	304.843	1.526	50	20	DDGD	
CN(NC(=O)c1cccc(OCC(=O)O)c1)c1ccccc1	1593766062	DOWLKCDIQGZLIN-UHFFFAOYSA-N	300.314	1.931	50	20	DDGD	
CC[C@H](Cc1ccc(Cl)cc1)NC(=O)NNC(=O)C(=O)O	1595204264	DSDBCYLJHPMKQF-SNVBAGLBSA-N	313.741	1.076	50	20	DDGD	
CCc1[nH]c(C(=O)NNc2nc(C)cc(C)n2)c(C)c1C(=O)O	1597385825	RLLSMGQJTINOFI-UHFFFAOYSA-N	317.349	1.747	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)N[C@@H]1CCC[C@H](F)C1	1593165992	PXKZKLCRROENIC-WDEREUQCSA-N	319.344	1.774	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2ccc(F)c(F)c2F)nc1	1595220904	OUPAVOZAJGGXHY-UHFFFAOYSA-N	311.219	1.954	50	20	DDGD	
CC1(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)CCOCC1	1590119772	IJBLKIZEJBQLOT-UHFFFAOYSA-N	314.349	1.399	50	20	DDGD	
N#Cc1cccc(NNC(=O)[C@@H]2CO[C@H](CCC(=O)O)C2)c1	1594628454	UUJUGIBEYOVAJJ-WCQYABFASA-N	303.318	1.271	50	20	DDGD	
COc1noc(C)c1C=NNC(=O)Nc1ccc(C(=O)O)cc1	1776047034	SAAFLZKEIRALEM-UHFFFAOYSA-N	318.289	1.845	50	20	DDGD	
CC(C)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl	1796362569	GAJLJEFRDCYZKH-LYIQGSDWSA-N	320.792	1.157	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CN2CCSC2=O)c1	15428423	XUSNEQYXOKQXCQ-UHFFFAOYSA-N	324.431	1.481	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)[C@@H]1CCCO1	160523138	LLTFEKVMGNLTAN-SCVCMEIPSA-N	310.300	1.395	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)NCC(F)(F)F)c(F)c1	151660224	FZRUQHNTQNQSJP-UHFFFAOYSA-N	322.262	1.398	50	20	DDGD	
O=C(Cc1ccc(-n2cnnn2)cc1)NNc1ccccc1F	152789310	MRCZEHHINVKPTG-UHFFFAOYSA-N	312.308	1.487	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)/C=C/c2ccc(Cl)cc2)[nH]n1	153206648	WRNXNODNWAQDLM-QPJJXVBHSA-N	304.737	1.846	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)c2cccc(C#N)c2)CCCO1	155170604	JUFYYSLYKNNQPA-HNNXBMFYSA-N	302.334	1.071	50	20	DDGD	
CCc1nn(C)c(Cl)c1C(=O)NNc1nc(C)cc(OC)n1	154889033	ZUXDELUDDPZGHB-UHFFFAOYSA-N	324.772	1.500	50	20	DDGD	
C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(CCCl)cc2)CO1	402342047	WNYXCGSIQYNEJD-CMPLNLGQSA-N	303.811	1.924	50	20	DDGD	
COC(=O)NNC(=O)CCN(C)C(=O)OCc1ccccc1	492679786	XKOMZUYIEXTWKD-UHFFFAOYSA-N	309.322	1.032	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CCOC(C)(C)C2)cc(C#N)n1C	27644207	FOTZBNCOWFDNDW-VGOFMYFVSA-N	312.373	1.750	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(C)cc2O)cc1	25414677	XDKNJBSBXHMLHO-UHFFFAOYSA-N	300.314	1.784	50	20	DDGD	
C=CCOc1ccccc1C(=O)NNC(=O)c1cnn(C)c1	117681299	SYKNUFPBDCQMAC-UHFFFAOYSA-N	300.318	1.060	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1ncnc2ccccc12	117547000	KGXOFYCBWRZPLT-VIFPVBQESA-N	304.375	1.668	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(-n3cncn3)c(C)c2)nc(C)n1	173835190	VQCUSLLTJXVJHH-UHFFFAOYSA-N	323.360	1.739	50	20	DDGD	
CCn1nc(C)c(CNC(=O)NNC(=O)OC(C)(C)C)c1C	67467751	WHECJKDJQXLBBZ-UHFFFAOYSA-N	311.386	1.759	50	20	DDGD	
O=C(Cc1cccs1)NNC(=O)c1ccc2c(c1)OCCO2	21786418	VDGQZGLLNKOIFO-UHFFFAOYSA-N	318.354	1.523	50	20	DDGD	
CCO[C@@H](C)C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	60501334	NHIARFNOTWWLND-STQMWFEESA-N	308.378	1.643	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C	302893237	XHIYDIMMVYZTIT-WPBJZHHJSA-N	319.405	1.982	50	20	DDGD	
CC(=O)N[C@@H](C)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	25401198	JIEAMQAYFBPJEA-VIFPVBQESA-N	323.418	1.303	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@@H]1C[C@H]1c1ccc(Cl)cc1	170945788	MMBIMETYDJFNEB-QWHCGFSZSA-N	323.780	1.517	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@H]1CCCc2sccc21	405005031	QSBQCGHVEFEVII-ZDUSSCGKSA-N	301.176	1.487	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNC(=O)CCOc1ccccc1	61478190	OUIULGJGZZWKGG-UHFFFAOYSA-N	316.361	1.267	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(-n3cccn3)ccn2)nc(C)n1	128690064	REXRMQANNSUYCX-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
CC[C@H]1C[C@@H](C(=O)NNC(=O)CCc2ccccc2O)CCO1	180091777	ZLRFRDJCTKLPSF-KBPBESRZSA-N	320.389	1.677	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@@H](C)OC)c1C	189073548	YGDNCQQTJSCTHL-BPKVKKHESA-N	319.405	1.809	50	20	DDGD	
O=C(CCNC(=O)OCC(F)(F)F)NNc1ccncc1	180491213	RQXMGJRIFDNJJG-UHFFFAOYSA-N	306.244	1.203	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)C1CCOCC1	77230348	OONYJYTUYKDQEM-UHFFFAOYSA-N	312.369	1.956	50	20	DDGD	
CCN1CCO[C@@H](C(=O)NNc2cc(F)c(F)c(F)c2)C1	128748491	HDVPLLRDSWLYHV-LLVKDONJSA-N	303.284	1.268	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc(Cl)nc1	77248547	ZTNAVKICFXGRRU-UHFFFAOYSA-N	305.721	1.818	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1cccnc1-n1cccn1	185217487	BPNKRDRVHDNRMZ-UHFFFAOYSA-N	322.328	1.349	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1cn(CC2(C)COC2)nn1	184019714	DTPBQDPKFWDCOK-UHFFFAOYSA-N	319.340	1.519	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(-c2ccc(C)o2)n[nH]1	184363213	ZXSHOJOMZAJQDB-UHFFFAOYSA-N	314.305	1.534	50	20	DDGD	
O=C(CCOc1ccc(F)cc1)NNC(=O)NCC(F)(F)F	124616990	XELVOHKEEQFHPY-UHFFFAOYSA-N	323.246	1.487	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2)on1)c1ccc(=O)[nH]c1	73070813	RFDCYOBDFHNDTM-UHFFFAOYSA-N	324.296	1.105	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)CCC(=O)N2CCOCC2)c1	127947791	SDNFMIQLVSYRQY-UHFFFAOYSA-N	305.378	1.386	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cccc(C)c2C)nc1	124300151	QRYLMJMOBXATCU-UHFFFAOYSA-N	314.345	1.789	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(F)ccc1F	77163647	JFUODLUSCXOBHN-UHFFFAOYSA-N	313.304	1.031	50	20	DDGD	
CC[C@H](Cc1ccccc1)NC(=O)NNC(=O)[C@@H]1CCCO1	76088869	WNOPHRFJKREMGW-KGLIPLIRSA-N	305.378	1.517	50	20	DDGD	
Cc1ccnc2nc(C(=O)NNc3cccc(Cl)c3)nn12	46081300	VWHBRUOPCIIGFW-UHFFFAOYSA-N	302.725	1.843	50	20	DDGD	
CCc1c(NC(=O)NNC(C)=O)cnn1-c1ccccc1C	191623531	PZQRSWRJAQFYQQ-UHFFFAOYSA-N	301.350	1.916	50	20	DDGD	
CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NNc1ccccn1	194458751	HSGDORIQSWJBLT-VIFPVBQESA-N	304.272	1.228	50	20	DDGD	
C[C@@H](CNC(=O)NNc1cccc([N+](=O)[O-])c1)CN1CCCC1	193381410	NSPRUZRGFAUBNL-LBPRGKRZSA-N	321.381	1.953	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)NC[C@H]1CCCO1	42870029	DPROYXDRTWICNV-GFCCVEGCSA-N	316.361	1.220	50	20	DDGD	
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NNC(=O)N(C)C	194930244	HMVFFQIBRPPHEU-CQSZACIVSA-N	316.361	1.253	50	20	DDGD	
Cc1c(Br)cccc1C(=O)NNC(=O)C(C)(C)O	190060766	FMGARCJCOVQFNA-UHFFFAOYSA-N	315.167	1.289	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@H](C)Cn2ccnc2C)n1	194873310	LRXJQZYOEZWLNZ-JTQLQIEISA-N	317.397	1.561	50	20	DDGD	
C[C@@H](NC(=O)NN[C@]1(C)CCS(=O)(=O)C1)c1ccccc1	42846605	SZKFLIADZJSNJB-BXUZGUMPSA-N	311.407	1.129	50	20	DDGD	
CC(=O)CCC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	193203299	HCOZVIDAGMQTCB-ZDUSSCGKSA-N	306.362	1.587	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)n1	193824879	NCCWPMYPNJJLCG-UHFFFAOYSA-N	320.284	1.480	50	20	DDGD	
COCC[C@@H](C)NC(=O)NNC(=O)CCc1ccc(OC)cc1	263746316	WNTGCRDZJRZKCA-GFCCVEGCSA-N	323.393	1.383	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCS1)c1cccc2ncccc12	266414631	DATYZFJABXWFOG-CYBMUJFWSA-N	301.371	1.891	50	20	DDGD	
Cc1nn(C)c2ncc(C(=O)NNC(=O)CC(C)(C)C)cc12	264037715	OVLQVKXMQMQIKP-UHFFFAOYSA-N	303.366	1.474	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)CNc2cccc(OC)c2)O1	268096533	AFQDCHDZXGKMES-JSGCOSHPSA-N	321.377	1.212	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCOc1cccc(NC(C)=O)c1	269458718	GKAGKZUCDAEUJV-ACCUITESSA-N	317.345	1.584	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H](C)c1ccc2c(c1)CC(=O)N2C	264085858	VONWVORFKDVGEM-IWQAVIMZSA-N	313.357	1.827	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1ccc2[nH]ccc2c1	274164876	MVDRHBQJULKONT-UHFFFAOYSA-N	302.334	1.300	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)CC[C@@H](C)OC	272872238	VSJLBMBFDQKKIV-LLVKDONJSA-N	309.366	1.070	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCC(C)(C)O)cc(C#N)n1C	274809324	DALCZRPMLOWGSI-NTUHNPAUSA-N	300.362	1.389	50	20	DDGD	
O=C(NCc1nnc2n1CCC2)NNc1cc(Cl)ccn1	272098062	KSNWUVOOJPKBAX-UHFFFAOYSA-N	307.745	1.099	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H](C)c2ncnn2C)cccc1[N+](=O)[O-]	276864387	ISWCYXYLEPIHOB-VIFPVBQESA-N	319.325	1.419	50	20	DDGD	
CO[C@H](CN)CC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	278232789	RUHWQNKQPUVVOR-QMMMGPOBSA-N	302.718	1.055	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(C(=O)OC)c(C)c1	273393821	LKNKFQUQCDQUQH-SECBINFHSA-N	307.350	1.980	50	20	DDGD	
CN(C)C(=O)NNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F	273811897	AYTRHNVURHCIID-UHFFFAOYSA-N	312.301	1.314	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCc3sccc3C2)n1	279677204	ODCSZOVXDPAPTL-UHFFFAOYSA-N	316.386	1.864	50	20	DDGD	
C=CCCCCNC(=O)NNC(=O)COc1ccccc1OC	274693151	VTGSIGPDXPYKJD-UHFFFAOYSA-N	321.377	1.761	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)[C@H](C)Oc1ccccc1F)C1CC1	279599866	FKWQUTRERBEXEP-ZANVPECISA-N	310.325	1.165	50	20	DDGD	
CC(C)(NC(=O)C(F)(F)F)C(=O)NNc1ccccc1F	277426908	VIIIWCWXKZMYCX-UHFFFAOYSA-N	307.247	1.726	50	20	DDGD	
O=S(=O)(CBr)NC[C@@H](O)c1cccc(F)c1	272831247	RCMXEOUSBFWXAG-SECBINFHSA-N	312.160	1.131	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc(C(C)=O)cc1	271380732	HMRCEOHYYGFJQN-UHFFFAOYSA-N	311.432	1.361	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc2c(C(F)F)nn(C)c2s1	279517671	LMRXPVGHNAUIHI-UHFFFAOYSA-N	317.321	1.488	50	20	DDGD	
CCC(=O)N[C@@H](CCSC)C(=O)NNc1ncccc1F	286142673	YDKDMETZPWNJHI-JTQLQIEISA-N	314.386	1.312	50	20	DDGD	
O=C(NNC(=O)[C@@H]1OC[C@H]2COCC[C@@H]21)c1ccc(Cl)cc1	289366614	NPUJODTYTRWZTC-KGYLQXTDSA-N	324.764	1.153	50	20	DDGD	
Cn1c(C(=O)NNC(=O)OC(C)(C)C)cc2ccccc2c1=O	285226857	SODDSWPZWOSTOQ-UHFFFAOYSA-N	317.345	1.708	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1ncnn1C(C)(C)C	282652126	MFYQRHIPRDTBKI-UHFFFAOYSA-N	310.402	1.300	50	20	DDGD	
C[C@@H](CF)NC(=O)NNC(=O)NCc1ccc(Cl)cc1	289188857	NTUGMIRAUWIOPL-QMMMGPOBSA-N	302.737	1.711	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(C)(C)C2CCOCC2)c(O)c1	280046194	MTDQPCAMZCZAHO-UHFFFAOYSA-N	320.389	1.914	50	20	DDGD	
COC(=O)CCCNC(=O)NNc1ccc2c(O)nccc2c1	287123105	MVSCGXLQUGBXJC-UHFFFAOYSA-N	318.333	1.520	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cnc(-c2ccco2)s1	292152061	NQAVRSGGPQWKKS-QMMMGPOBSA-N	307.331	1.343	50	20	DDGD	
CN(C)CCn1nccc1NC(=O)NNc1ncccc1F	297472311	RNQIWEGGGVZCDV-UHFFFAOYSA-N	307.333	1.127	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)C1(c2ccccc2)CCC1	802029574	PJDWFGFNRAERRB-UHFFFAOYSA-N	310.357	1.778	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ccc([N+](=O)[O-])cc2)sn1	806984861	YCJRVECMBCYITH-UHFFFAOYSA-N	321.318	1.442	50	20	DDGD	
C[C@H](C(=O)NNc1cnccn1)n1ccc2ccccc2c1=O	806860855	DMTLQXKPXMDRNM-LLVKDONJSA-N	309.329	1.496	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNC(=S)Nc1ccccn1	805191339	AFGQVVCNZDSMIN-UHFFFAOYSA-N	324.406	1.379	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1CCCO1)c1ccc(OC)cc1	294734763	UMJHKKRTQHMICB-KBPBESRZSA-N	306.362	1.515	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2CCCCO2)c1[N+](=O)[O-]	295666456	WMNXIVWIQPDQCZ-LLVKDONJSA-N	307.306	1.233	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@H]1CCCOc2ccccc21	291762573	GRRJKHMLHGGRDU-JSGCOSHPSA-N	319.361	1.410	50	20	DDGD	
CC/C=C/CNC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	298054541	JBYCBEDKEFQCKS-TZOMUSMUSA-N	309.341	1.890	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)CN(C)C)c2ccccc21	802711040	HHDATLJJIHRCHF-CQSZACIVSA-N	317.389	1.509	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CC2(OC)CCC2)cc1	802052598	CUINWRBZEBSCGB-UHFFFAOYSA-N	307.350	1.807	50	20	DDGD	
O=C(NN=Cc1cc(F)ncc1F)c1cc([N+](=O)[O-])ccc1O	807974170	WIWQVXBFPLNICG-UHFFFAOYSA-N	322.227	1.738	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H](C)CCCCO)cc(C#N)n1C	295813102	BRYMEANEELRKKG-AAWHYMEISA-N	314.389	1.779	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)COCc2ccccn2)c1	807182752	HZPDGDLZTZAKHC-UHFFFAOYSA-N	317.736	1.662	50	20	DDGD	
CC[C@H](C)[C@H](CNC(=O)NNc1nc2ccccn2n1)OC	298209622	UNBHDTFTJCYBSH-QWRGUYRKSA-N	306.370	1.417	50	20	DDGD	
CCc1noc(CC)c1CNC(=O)NNC(=O)[C@H]1CCCCO1	296629044	ZWXVZMCABZQDKO-CYBMUJFWSA-N	324.381	1.199	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NNC(=O)CC2CC2)cc1	294273674	VBRWLKOEVOQYOC-NTEUORMPSA-N	313.357	1.940	50	20	DDGD	
CC(=O)N1CCC[C@@H](C(=O)NNc2nc3ccccc3n2C)C1	816577290	FLQGJAPLYCSGTP-GFCCVEGCSA-N	315.377	1.275	50	20	DDGD	
COCC(=O)NN=C(C)CCc1ccc(OCCC(=O)O)cc1	814871586	VQGCTQRAIQHRQD-UHFFFAOYSA-N	322.361	1.611	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc(C#N)c(F)c2)n1	810253323	RENSGWGPQQVDAX-UHFFFAOYSA-N	302.269	1.645	50	20	DDGD	
CO[C@@](C)(C=NNC(=O)CNC(=O)c1cccs1)C1CC1	814827149	WRFJNFMROXBJGT-AWEZNQCLSA-N	309.391	1.395	50	20	DDGD	
CNC(=O)[C@@]1(C)CCN(C[C@@H](CBr)C2CC2)C1	859289827	HCZKHWMWEUMDMH-YPMHNXCESA-N	303.244	1.866	50	20	DDGD	
C[C@@H]1CN(CCC(=O)NNC(=O)CCCC2CC2)C[C@@H](C)O1	812451555	IGPMTPNSYCZYDH-CHWSQXEVSA-N	311.426	1.213	50	20	DDGD	
O=C(CCc1ccc(Br)cc1)NNc1nc[nH]n1	816632121	UPARLAZZGQHEIW-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)c1cccc2cccnc12)C1CC1	812489327	XUPKOBSDKLGGDG-KRWDZBQOSA-N	313.357	1.811	50	20	DDGD	
C[Si](C)(C)c1ccc(CC(=O)NNC(=O)CC2CC2)cc1	819144718	UVZOAZPJCKHWPW-UHFFFAOYSA-N	304.466	1.722	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@@H]2CCCOC2)c1	819036766	GXKZHYWWFXLUEY-SNVBAGLBSA-N	311.382	1.878	50	20	DDGD	
COc1ccc(NC(=O)NN=Cc2c(N)ncnc2OC)cc1	814998358	GGRXVWIJVJIVSY-UHFFFAOYSA-N	316.321	1.232	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccc(Br)o1	817081587	GUTXMNRCTRDELK-UHFFFAOYSA-N	301.075	1.728	50	20	DDGD	
CN(NC(=O)C[C@H](c1ccccc1)N1CCOC1=O)C1CC1	819646650	BTUHFUNVTDPRAY-CQSZACIVSA-N	303.362	1.695	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CC(C)(C)Oc2cc(O)ccc21	814776668	GURBXONFITYLIE-UHFFFAOYSA-N	319.361	1.298	50	20	DDGD	
CCN(CC)C(=O)c1ccc(C(=O)NNC(=O)CC2CC2)cc1	819122807	IGBBLXBCTOZAMU-UHFFFAOYSA-N	317.389	1.730	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)c1ccc2c(c1)OCO2	812447644	TWDSCRFJGJJTGE-NXEZZACHSA-N	308.334	1.095	50	20	DDGD	
CC(C)CNC(=O)N1CCC[C@H](CC(=O)NN(C)C2CC2)C1	819647635	QEACHQDTULKAGO-CYBMUJFWSA-N	310.442	1.580	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1ccc(Cl)cc1)NC1CCCC1	813426211	ADEIHXGYVVELCN-GFCCVEGCSA-N	311.769	1.646	50	20	DDGD	
Cc1nnc(NNC(=O)c2csc(C(C)(C)C)n2)nc1O	726620047	SHHZEZSFQUIYAF-UHFFFAOYSA-N	308.367	1.397	50	20	DDGD	
CN(C)C(=O)NNC(=O)C[C@@H](c1ccccc1)c1ncc[nH]1	824627359	LJMDYNBRPMLCGF-LBPRGKRZSA-N	301.350	1.234	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@H](N(C)C)[C@@H]1C	820503570	KKPKNUKUODIXIH-AAEUAGOBSA-N	312.845	1.903	50	20	DDGD	
Cc1ccc(C[C@H](CO)NC(=O)/C(C#N)=C/c2cnn(C)c2)cc1	491163333	WEPORUWBVJYIFX-DYFCPDHGSA-N	324.384	1.355	50	20	DDGD	
CN(C)[C@@H](CNC(=O)/C(C#N)=C\c1cnn(C)c1)c1ccco1	490970497	HEMOIGBBYKKCSU-LVOZBFFPSA-N	313.361	1.339	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(Cl)c2c(c1)OCCO2	823989007	ZEFLTZPCZJMTMW-MRVPVSSYSA-N	300.742	1.069	50	20	DDGD	
COc1cc(Br)cc(C(=O)NN(C)[C@H](C)CO)c1	823384449	LAQWPLLEEAQDEA-MRVPVSSYSA-N	317.183	1.415	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1cc2ccccc2o1	825738295	YZUCDCLMNNUUES-ZWNOBZJWSA-N	317.345	1.688	50	20	DDGD	
C[C@@H](OC[C@H]1CCCCO1)C(=O)NN(C)C(=O)OC(C)(C)C	496189451	XOAMGPPOHOQTBR-VXGBXAGGSA-N	316.398	1.859	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CC[C@H]1CC1(Cl)Cl	826754473	MRIOYJKKZCNGEK-ZETCQYMHSA-N	305.165	1.453	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C	491614418	AFGDBJAKKQDCPK-VHSXEESVSA-N	314.386	1.030	50	20	DDGD	
O=C(/C=C\[C@@H]1CCOC1)NN=c1nc(-c2ccccc2)[nH]o1	493018267	JZPGYATZPPHKIC-JMEBYUIHSA-N	300.318	1.194	50	20	DDGD	
OB(O)c1ccccc1CN[C@H](c1cc(F)ccc1F)C1CC1	585026409	GRUOBEASTXAVSS-KRWDZBQOSA-N	317.144	1.886	50	20	DDGD	
CCN(CCO)NC(=O)c1c(C)nn(-c2ccccc2)c1C	823838195	MJWOSMDACNNYEI-UHFFFAOYSA-N	302.378	1.448	50	20	DDGD	
CC1(C)C[C@@H](c2ccccc2)N(C(=O)c2cccc(B(O)O)c2)C1	585001668	XZIABMDFDJVJOE-KRWDZBQOSA-N	323.201	1.980	50	20	DDGD	
COC[C@H](NC(=O)[C@]1(C)C[C@H]1Br)[C@H]1CCCO1	907851289	YZRJJUMTVCSDJS-BTQIBKBOSA-N	306.200	1.470	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)[C@H]2CCCCO2)cc1Cl	820942469	XRTFOKBCTPDAGE-CYBMUJFWSA-N	310.781	1.907	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc2nc(C(F)(F)F)cn2c1	823874381	SFWPFCPMRGVEHC-UHFFFAOYSA-N	316.283	1.312	50	20	DDGD	
Cc1cccc(C[C@@H](NC(=O)c2ccc(B(O)O)cc2)C2CC2)c1	584951945	PYTLYSYKLCODMJ-GOSISDBHSA-N	323.201	1.426	50	20	DDGD	
CC(C)c1ccc(O[C@@H](C)CNCc2ccc(B(O)O)o2)cc1	585039730	BEFXKYPCCGVZEM-ZDUSSCGKSA-N	317.194	1.640	50	20	DDGD	
OB(O)c1ccc(CNCCOCc2ccc(Cl)cc2)cc1	585031283	CAZHTBTYLVSROQ-UHFFFAOYSA-N	319.597	1.326	50	20	DDGD	
C[C@@H]1C[C@H]1c1ccc(CCC(=O)NNC(=O)c2cnn(C)c2)o1	735444104	BLBFLYDIBBBAOJ-ZWNOBZJWSA-N	316.361	1.530	50	20	DDGD	
C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NN(C)C2CC2)cc1	824302647	FELANIYDPXWVLS-SNVBAGLBSA-N	322.390	1.503	50	20	DDGD	
CCCCn1ncc(NCc2cccc(B(O)O)c2)c1CC	585038064	RDFAOBTUJXDUKJ-UHFFFAOYSA-N	301.199	1.538	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1Cc2cccc(F)c2C1	827258888	FPWVQDFYMFUIDF-MWLCHTKSSA-N	307.325	1.307	50	20	DDGD	
OB(O)[C@@H]1CCN(Cc2ccccc2OCc2ccccn2)C1	585076425	MIMJHZLTNHSFIZ-OAHLLOKOSA-N	312.178	1.709	50	20	DDGD	
Cc1cc([C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C2)cs1	584977817	RJRWGOFLADNBCJ-CYBMUJFWSA-N	315.203	1.366	50	20	DDGD	
CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccc(O)cc1	735449010	UKGHEDYPNNZTNB-UHFFFAOYSA-N	322.328	1.726	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)CNC(=O)c2cccs2)C1(C)C	736431128	VHHVDGYPTBVYPT-LBPRGKRZSA-N	323.418	1.785	50	20	DDGD	
C[C@@]1(C(=O)NC2CCC3(CC2)OCCO3)C[C@@H]1Br	906243089	KAFRXULHQOBAHZ-CMPLNLGQSA-N	318.211	1.962	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1cccc(B(O)O)c1	584910604	CSJYGMIEVCCCPT-OLZOCXBDSA-N	301.176	1.479	50	20	DDGD	
CC[C@H](C)C(=O)NN=Cc1ccc(OC)cc1OCC(=O)O	734365736	RDOMUTVTRMHVMF-JTQLQIEISA-N	308.334	1.655	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N2C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)c1	836276902	RJICIBHZKNDYKK-WMHQRMGPSA-N	324.384	1.891	50	20	DDGD	
Cc1ccc(NCc2ccc(B(O)O)o2)cc1O[C@H]1CCOC1	585012287	SMSSBSKAOGLMRP-AWEZNQCLSA-N	317.150	1.048	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)CCSc2ccc(F)cc2)[nH]1	732259111	LQVKLDLYWSTXGC-UHFFFAOYSA-N	322.365	1.801	50	20	DDGD	
C[C@](O)(C(=O)NNc1cccc(Br)n1)C1CC1	837212137	IKXWIVJGDSVHMG-LLVKDONJSA-N	300.156	1.448	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNC(=O)[C@@H](CC)c1ccccc1	732133173	RHKRPCVAUMJEHK-YPMHNXCESA-N	305.378	1.242	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)nn1	839454945	DKZFXDJPIVULBA-UHFFFAOYSA-N	314.345	1.242	50	20	DDGD	
O=C(N1CC[C@H](B(O)O)C1)C1(c2ccccc2F)CCCC1	585072369	MIIRZQCALGDBBW-LBPRGKRZSA-N	305.158	1.713	50	20	DDGD	
CC(C)(C)[C@H](NCc1ccc(B(O)O)o1)c1ccc(F)cc1	585021182	QOQUZKSZAKIUEI-OAHLLOKOSA-N	305.158	1.976	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H](C)c1cnccn1)c1ccccc1	906643075	ROAONQQEQDSDPJ-OCCSQVGLSA-N	312.373	1.921	50	20	DDGD	
N#Cc1ccc(NNC(=O)CN2CSCCSC2)cc1	901162989	RPBKVLNYMYSMQW-UHFFFAOYSA-N	308.432	1.698	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)OC(C)C)cc1-c1nn[nH]n1	737076767	PBTAJYWRNUIVDD-IZZDOVSWSA-N	313.317	1.734	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)CN2CCCC2=O)c2c(O)ccc(F)c21	730553269	VYCYHAURPVSBHU-SECBINFHSA-N	319.336	1.481	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1cc([N+](=O)[O-])c[nH]1	732110648	HZGLDFJNLSPLQI-UHFFFAOYSA-N	315.249	1.125	50	20	DDGD	
COc1ccccc1C(=O)NN=Cc1cnc2n1CCOC2	905445355	ZLIXPKNJNWHBAP-UHFFFAOYSA-N	300.318	1.186	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cnn(CC2CCC2)c1	901196154	ZBVLKOZVMQPLPD-LBPRGKRZSA-N	308.382	1.185	50	20	DDGD	
CN(C)C1(C(=O)NNc2cccc(Br)n2)CCC1	837211552	FGRPVCNBLIOZSQ-UHFFFAOYSA-N	313.199	1.772	50	20	DDGD	
CNC(=O)c1ccc(C=NNC(=O)Cc2ccccc2F)cc1	731320790	QEHVKEUUAXRNMY-UHFFFAOYSA-N	313.332	1.878	50	20	DDGD	
CN(C)c1cccc(C(=O)NN[C@@H](C(=O)O)c2cccnc2)c1	830643829	MVRBDWHJBMPQRM-CQSZACIVSA-N	314.345	1.208	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)Cc1ccncc1)C1CCCC1	836640340	HBZKIZGOXPALFM-AWEZNQCLSA-N	304.394	1.923	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)c1c(F)cccc1F	735510215	JIJCRSJUJWBGCZ-MRVPVSSYSA-N	323.303	1.404	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cncn1-c1ccccc1	918365895	OVWNJJNEMGZXBP-UHFFFAOYSA-N	312.251	1.586	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc(CF)cc1	831575860	ZLJGBGWKRCDSKQ-UHFFFAOYSA-N	301.412	1.628	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C2CC2)[nH]c2c1C(=O)CC(C)(C)C2	916550032	BWKJICZUOHGHFJ-UHFFFAOYSA-N	303.362	1.649	50	20	DDGD	
O=C(CCOC[C@@H]1CCCO1)NNc1ncc(F)cc1F	837206000	HPLYOILCGVIMCA-JTQLQIEISA-N	301.293	1.389	50	20	DDGD	
O=C(NN=CCCc1cnoc1)[C@H]1COc2ccccc2O1	834918555	XKFCKGGRUVNFKH-CQSZACIVSA-N	301.302	1.549	50	20	DDGD	
O=C(COC/C=C/c1ccccc1)NNC(=O)[C@H]1CCCCO1	833245982	BXCIBBLAZIXJTD-RZIFZGNASA-N	318.373	1.433	50	20	DDGD	
CC1=C(C(=O)OCC(=O)NNC(=O)c2ccccc2)CCC1	747163583	ZYEDRSGRXDZCHF-UHFFFAOYSA-N	302.330	1.491	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1ccccc1F	743446298	RJOKWKSLKSDALP-UHFFFAOYSA-N	304.281	1.110	50	20	DDGD	
Cc1cc(C)n([C@H](C)CC(=O)NNC(=O)CC(F)(F)F)n1	918367110	NBWKYFQQXJFOIR-SECBINFHSA-N	306.288	1.551	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@](C)(O)[C@@H](C)c1ccccc1	747366759	LUMRZRUXZDFQDY-BLLLJJGKSA-N	307.394	1.672	50	20	DDGD	
C[C@H]1CN(C(=O)/C(C#N)=C/c2cnn(C)c2)CC2(CCCC2)O1	844109439	GPXRWXXHWOOFHE-FEZXJWFHSA-N	314.389	1.887	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@@H](N)c2ccccc2)n1	841949788	QHXDNMYFHKNJMU-CYBMUJFWSA-N	300.366	1.420	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@@H]2CC23CCOCC3)o1	748845398	CSJQAIXOKCKRPK-JTQLQIEISA-N	304.350	1.929	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1(c2cccnc2)CCCC1	843657751	RSGGDKKUVPZSFA-OCCSQVGLSA-N	317.389	1.466	50	20	DDGD	
NCCNC(=O)NNC(=O)c1cc2c(s1)CCCCCC2	841921690	UPKHEZUEURPPJK-UHFFFAOYSA-N	310.423	1.310	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=C1CCS(=O)(=O)c2ccccc21	842560366	XFSTXHQSXSJZLB-MNOVXSKESA-N	322.386	1.109	50	20	DDGD	
CCC(CC)(CO)C(=O)NNC(=O)COCc1ccccc1	847511204	HBXNSTYTJGTNHR-UHFFFAOYSA-N	308.378	1.149	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCc1cccc(OC)c1OC	916828392	OTGJARJNYFWESM-UHFFFAOYSA-N	323.418	1.318	50	20	DDGD	
CC[C@](C)(NCC(=O)NNC(=O)C1CC1)c1nc(C)cs1	744423814	CGRJYMJBFANHET-AWEZNQCLSA-N	310.423	1.224	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2CCCC[C@H]2CN)c1	841954374	WQDFUCISWHYGQH-JSGCOSHPSA-N	320.393	1.617	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1nccnc1Sc1ccccc1	910151473	FNLHSBQHKDTXOS-LLVKDONJSA-N	318.402	1.585	50	20	DDGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(C2CC2)C1	842243426	CLLMXIRHYGSXIR-MRVPVSSYSA-N	322.296	1.188	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CSCc1ccc(C#N)cc1	915684813	FZIMVWKSZHCSSV-UHFFFAOYSA-N	305.403	1.985	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)C[C@H]2CCOC2)cc1	740085880	SRHUJGXQAJPXOF-LLVKDONJSA-N	323.418	1.830	50	20	DDGD	
CC(C)[C@@H]1C[C@H](CC(=O)NNC(=O)c2ncccn2)CCO1	841350949	WLZLNAFVYSLWLK-NEPJUHHUSA-N	306.366	1.079	50	20	DDGD	
COC[C@H](Cc1ccccc1)NC(=O)NNC(=O)C1CCCC1	746782944	ZRFAOUJVGIDGGM-HNNXBMFYSA-N	319.405	1.765	50	20	DDGD	
CCC(CC)(C(=O)NNC(=O)c1ncccn1)c1ccccc1	841350562	MVYSBCVSMQYBLM-UHFFFAOYSA-N	312.373	1.996	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccccc1OCc1ccncc1	920858393	GHQQDXBHEZBQSK-UHFFFAOYSA-N	314.345	1.625	50	20	DDGD	
CCNCCCNC(=O)NNc1cccc(Br)n1	841917272	JEXMMAIIOGILNC-UHFFFAOYSA-N	316.203	1.470	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1ccnn1-c1ccc(F)cc1	842561450	QWUXDSPXDZJACJ-IAQYHMDHSA-N	316.336	1.887	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)[C@H]1CCCCO1)OCC1CC1	840429178	YZEKBHRHPIQFLI-GFCCVEGCSA-N	313.398	1.091	50	20	DDGD	
CCn1ncnc1C=NNC(=O)[C@H](C)CN1CCCCCC1	848401917	NSUHQECDXOFXAG-CYBMUJFWSA-N	306.414	1.260	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(F)cc2nc(S)[nH]c12	921038573	UBLBGACJEDBSFI-UHFFFAOYSA-N	311.342	1.345	50	20	DDGD	
CNC(=O)NNC(=O)c1nccnc1Sc1ccccc1	751461551	ULSPLDDTMADVSD-UHFFFAOYSA-N	303.347	1.202	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)N[C@H](C)[C@H](C)N1CCOCC1	853687265	NOVGQJHVALDOBJ-OLZOCXBDSA-N	324.400	1.869	50	20	DDGD	
CCN(CCNC(=O)NNc1ncccn1)CCC(F)(F)F	755864822	CSMMQWSMXSFKCB-UHFFFAOYSA-N	320.319	1.377	50	20	DDGD	
CCS[C@H](C(=O)NN(C)C(=S)NCCCOC)C(C)C	854280794	CVWXLMYQMIUPIK-NSHDSACASA-N	321.512	1.638	50	20	DDGD	
CN(C)CCOCCNC(=O)NC[C@]1(C)C[C@H]1Br	856886744	NNVJLTJPJFZRKQ-PWSUYJOCSA-N	322.247	1.037	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C#CC(C)C)cc1C	854259625	BEAMCOPSQOSICX-UHFFFAOYSA-N	301.346	1.049	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CCn2cc(C)cn2)ccc1C	857267876	SOHBPYXJBNQDSL-UHFFFAOYSA-N	316.361	1.820	50	20	DDGD	
C[C@H]1C(=NNC(=O)c2cn(C)nn2)CC[C@H](C(=O)O)C1(C)C	853383382	VMTNMYHDIRGLQG-DTWKUNHWSA-N	307.354	1.058	50	20	DDGD	
COCCC(C)(C)CNC(=O)NNC(=O)c1cccc(F)n1	852254585	ZDHZGMLBINDSAE-UHFFFAOYSA-N	312.345	1.227	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)CCc2ccon2)cc1	854234989	KTOLSLHPWXOSMA-UHFFFAOYSA-N	319.386	1.855	50	20	DDGD	
CSCCNC(=S)NNC(=O)CNc1ccc(C)cc1	752735216	UTDKUSBBZURQAT-UHFFFAOYSA-N	312.464	1.265	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C(COC)C1CC1	754254858	QQQXNLVLLKWMSQ-UHFFFAOYSA-N	306.362	1.993	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)COC(F)(F)F	929298258	XFSCCBQPXMQXOB-ZETCQYMHSA-N	324.230	1.277	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccccc2Cl)c(O)n1	755347493	FEGGIAGDPLWWDN-UHFFFAOYSA-N	320.736	1.831	50	20	DDGD	
C[C@@]1(CNC(=O)N2CC[C@@H]3OCC[C@@H]3C2)C[C@H]1Br	856892753	IVAZHGIKQPEEDL-XZUYRWCXSA-N	317.227	1.980	50	20	DDGD	
CCC1(Cn2cc(C(=O)N(C)CC(Cl)Cl)nn2)COC1	854477976	CULKFMZOLSRSFU-UHFFFAOYSA-N	321.208	1.580	50	20	DDGD	
C[C@@H](C(=O)NNc1ccnc(Cl)c1)n1nnnc1C(C)(C)C	855465368	LZXNPNBHXVIXAC-QMMMGPOBSA-N	323.788	1.723	50	20	DDGD	
CC(C)n1ncc(C(=O)NNC(=O)Cc2ccccc2F)c1N	758129915	SEZDAPYKZNNJOL-UHFFFAOYSA-N	319.340	1.189	50	20	DDGD	
Cc1[nH]nc2ncc(C(=O)NNC(=O)OCC(F)(F)F)cc12	856025233	MWPPWCWLSVOVPN-UHFFFAOYSA-N	317.227	1.200	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccnn1CCc1ccccc1	857168793	JJRVZESKPGLLDM-UHFFFAOYSA-N	315.377	1.432	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=S)N[C@@H](C)C1CC1)c1ccccc1	855101132	QGIOQDLTUSAKBS-ZBEGNZNMSA-N	321.446	1.842	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCC(O)CC2)cc1)c1cc[nH]n1	853391322	IHAMSACIGBVGHH-UHFFFAOYSA-N	313.361	1.135	50	20	DDGD	
C[C@H](Oc1ccccn1)C(=O)NNC(=S)N[C@@H](C)C1CC1	855095821	PIDKMSURLYLTQZ-UWVGGRQHSA-N	308.407	1.143	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=S)N[C@H](C)C2CC2)nn1C	855101171	RIQVINCEROJYCA-SECBINFHSA-N	309.439	1.451	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCCn2ccnc2)c1C	855627516	RBABOJDCBXLCBS-UHFFFAOYSA-N	316.361	1.902	50	20	DDGD	
COC(=O)c1ccc(NC[C@]2(C)C[C@@H]2Br)nn1	856786152	ODRYZENCOJBSAN-KWQFWETISA-N	300.156	1.849	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)c1cccs1)[C@H]1CCCO1	754518160	WBVYRJICKKBFLI-WDEREUQCSA-N	311.407	1.056	50	20	DDGD	
Cc1n[nH]c(C)c1[C@@H](C)C(=O)NNC(=O)c1cccc(Cl)n1	857323335	JFWVQYIWSZMZGS-SSDOTTSWSA-N	321.768	1.640	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H](C)Cc2cccc(O)c2)o1	752918002	YNEBKGXDLGKPGP-SNVBAGLBSA-N	317.345	1.869	50	20	DDGD	
OB(O)c1ccc(OCc2ccc(-c3ncco3)cc2F)cc1	864048269	MFVUVDKFBVUWKJ-UHFFFAOYSA-N	313.093	1.740	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)C(=O)Nc1ccc(C2CC2)cc1	763466030	FMIXYHCRAJNRFU-UHFFFAOYSA-N	324.340	1.359	50	20	DDGD	
O=C(CCC1(O)CCC1)NNc1ccc2c(=O)[nH]ccc2c1	868137369	ZMGUYDPHSBZNJM-UHFFFAOYSA-N	301.346	1.666	50	20	DDGD	
C=CC[C@@H](C(=O)NNC(=O)COCCOC)c1ccccc1	869907412	LAEOJWDXEYTTLF-CQSZACIVSA-N	306.362	1.157	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(-c2cc[nH]n2)s1	761625320	NZYKAXSHDAGOLJ-UHFFFAOYSA-N	307.379	1.882	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)C1(F)CCOCC1	865182277	QKSIWNPZIQJDAS-UHFFFAOYSA-N	319.336	1.307	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)Nc2cccc(C3CCC3)c2)N1	861134921	GEWNZWAHWFYFQM-CYBMUJFWSA-N	316.361	1.385	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	864452428	QDVBIKCDOHIPHN-UHFFFAOYSA-N	316.361	1.653	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(C#N)ccc1C	935199291	ROAMBVWXHGFDDX-UHFFFAOYSA-N	308.432	1.339	50	20	DDGD	
CCOc1cccc(/C=C\C(=O)NNC(=O)[C@H]2CCCCO2)c1	861853505	PRZKHKFEZCOESE-FJVVXJACSA-N	318.373	1.815	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)CC)cc1C	764084754	WFCWAYGPIOZGMK-JTQLQIEISA-N	305.378	1.689	50	20	DDGD	
Cc1c(NCc2ccc(B(O)O)cc2)cccc1-c1ncco1	864012986	IDBFKYDGNPWQHD-UHFFFAOYSA-N	308.146	1.942	50	20	DDGD	
CC(CCc1ccco1)=NNC(=O)CNC(=O)c1cccnc1	763193677	CMUOPOJHMGBETK-UHFFFAOYSA-N	314.345	1.529	50	20	DDGD	
O=C(NNc1ccc(F)cc1)Nc1ccc(-n2nccn2)nc1	769961449	JWOODTGRBLKNAD-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NNC(=O)Cc1ccc(Cl)cc1	862994723	WKXLZMLNIYFNFW-ZDUSSCGKSA-N	323.824	1.903	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=C2CCSc3c(Cl)cccc32)N1	863149126	RWAXNNRCMKNGCZ-NSHDSACASA-N	323.805	1.935	50	20	DDGD	
COC(=O)Cc1sccc1C(=O)NNC(=O)CC(F)(F)F	869020259	JJFJZQAIGOUTEM-UHFFFAOYSA-N	324.280	1.177	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc(C(=O)OCC)cnc1C	767327519	MWLIZNWUFLCAHD-UHFFFAOYSA-N	322.365	1.311	50	20	DDGD	
COC(=O)C(=O)NN=C1CCC[C@H](NC(=O)OC(C)(C)C)C1	1118322951	XJQZGRJNWNUBIZ-VIFPVBQESA-N	313.354	1.099	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCCc2c(C)ccc(C)c21	769798954	OPKRXOSIRDOFCH-UHFFFAOYSA-N	303.362	1.816	50	20	DDGD	
Cc1nn(CC(=O)NNc2ncccn2)cc1-c1ccccc1	767511817	QBSXOJNNXLFWHJ-UHFFFAOYSA-N	308.345	1.792	50	20	DDGD	
CC1=NO[C@H](C(=O)NNC(=S)Nc2ccc(C)cc2C)C1	873760323	ALRUETDTRMFDCT-LBPRGKRZSA-N	306.391	1.786	50	20	DDGD	
CC(C)NC(=S)NNC(=O)Cc1c[nH]c2ccc(F)cc12	1116076619	HJMWNXMMTFFKAT-UHFFFAOYSA-N	308.382	1.753	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCCc2c(F)cccc21	872335447	PTCQXSOVUKRYPW-UHFFFAOYSA-N	303.337	1.605	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2NC(=O)O[C@H]2C)cc1C	873763322	UWZKGHWXRAZMKZ-GXSJLCMTSA-N	322.390	1.118	50	20	DDGD	
O=C(NNS(=O)(=O)C[C@@H]1CCCO1)c1ccccc1Cl	1116093675	HELLPUKINIHHAH-VIFPVBQESA-N	318.782	1.083	50	20	DDGD	
CC(C)(C)OC(=O)CCCCNC(=O)NNc1ncccn1	774334476	SPUYMHLMSCYHOJ-UHFFFAOYSA-N	309.370	1.615	50	20	DDGD	
O=C(NNC(=O)c1cc(O)nc(C2CC2)c1)NC1CCCCC1	770212048	MIFVIXSMIHTOAE-UHFFFAOYSA-N	318.377	1.941	50	20	DDGD	
O=C(NN=C1CCN(CC(F)(F)F)CC1)C1CCOCC1	1119360891	ATDWRORUBHWVCP-UHFFFAOYSA-N	307.316	1.543	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccc(OC(F)F)cc1F	872338409	HMAIJMYQKIHNAQ-UHFFFAOYSA-N	317.267	1.402	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2CCCN2C=O)cc1C	873762381	XGCXCZCSALFSSQ-ZDUSSCGKSA-N	320.418	1.242	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccccc1C(=O)N1CCCC1	878078309	VGFFZHKOMGPZGE-UHFFFAOYSA-N	320.349	1.657	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1c[nH]c(C#N)c1	773638032	JGYFSJMJRMBICG-UHFFFAOYSA-N	302.265	1.569	50	20	DDGD	
CCC[C@H]1C[C@@H](C(=O)NNC(=S)NC(C)(C)C)CCO1	779874306	XUGXHNTWXOGXIF-QWRGUYRKSA-N	301.456	1.876	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@H]1C=CCCC1	778403572	XPAHRAFSLHFCRD-OLZOCXBDSA-N	310.394	1.858	50	20	DDGD	
Cc1nocc1CNC(=O)NC[C@@]1(C)C[C@@H]1Br	875757198	CYVZQIUUGTYACH-GXSJLCMTSA-N	302.172	1.956	50	20	DDGD	
C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CC(C)(C)CC(C)(C)C1	779771259	AWAGHFYSCJHXRX-SNVBAGLBSA-N	317.455	1.633	50	20	DDGD	
Cc1cnccc1C(=O)NNC(=O)Cc1nc2ccccc2n1C	770211478	FAFVOKBMLQRHFT-UHFFFAOYSA-N	323.356	1.280	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCCOc1ccccc1	771850833	OVACTQZLTHTDJX-GFCCVEGCSA-N	322.361	1.335	50	20	DDGD	
COC(=O)Cn1cccc1C=NNC(=O)c1cccc(C#N)c1	776181470	WJNUQZQHCUXWNW-UHFFFAOYSA-N	310.313	1.297	50	20	DDGD	
Cc1nccc(NC(=O)NNC(=O)C(C)(C)c2ccccc2)n1	776496470	BMHBWQJBNYIBLN-UHFFFAOYSA-N	313.361	1.916	50	20	DDGD	
C[C@@H](CBr)COC(=O)c1ccc2nnc(O)n2c1	770406926	FPSYLBOLYOZRJI-ZETCQYMHSA-N	314.139	1.623	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2cncc(N(C)C)c2)n1	880362953	YQZCUXXFKDHLDN-UHFFFAOYSA-N	301.354	1.703	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N[C@H](CO)CC1CC1)c1ccccc1	778662444	YKZZTJFRTCBEGP-AWEZNQCLSA-N	319.405	1.456	50	20	DDGD	
COc1cc(NNC(=O)N[C@@H]2CC(=O)N(C)C2)ccc1Cl	789066143	RLXSZJSFYXGRLT-SECBINFHSA-N	312.757	1.205	50	20	DDGD	
CC[C@@H](C(=O)NNc1nc2ccccc2c(=O)n1CC)[C@@H](C)O	789952547	CIVJQPRNZWXVCX-GHMZBOCLSA-N	318.377	1.267	50	20	DDGD	
CO[C@H](C(C)=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1	782184617	JRTCLPYZYKZOTF-UONOGXRCSA-N	324.402	1.301	50	20	DDGD	
CCn1nc(C)c(NC(=O)C(=O)NNc2ccnc(F)c2)c1C	784848197	GDIICGQGQOHVSX-UHFFFAOYSA-N	320.328	1.136	50	20	DDGD	
COC(=O)c1ccc(OS(=O)(=O)CCCCl)cc1OC	882123174	CUHLQLOSIGPOTK-UHFFFAOYSA-N	322.766	1.819	50	20	DDGD	
Cc1nc(NC(=O)NNC(=S)NCc2cccs2)no1	781112081	PQVDQKNAEMXZJB-UHFFFAOYSA-N	312.380	1.140	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)c2cccnc2O)c1	788254759	QQLXKUYUTGMSML-UHFFFAOYSA-N	315.333	1.638	50	20	DDGD	
CSSCCNC(=O)Nc1nc2nc(C)cc(C)n2n1	789719419	CFMPIGAJWCBUSL-UHFFFAOYSA-N	312.424	1.874	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@H]1CCOC(C)(C)C1	1120736879	WKPQUCDPTQBNIF-ZDUSSCGKSA-N	320.389	1.590	50	20	DDGD	
CN(C)CCCCC(=O)NNc1nnc(-c2ccccn2)s1	788556446	NIWUYQNQKFBPQX-UHFFFAOYSA-N	320.422	1.775	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2	892606935	MGTVMJJRUGQISG-BTTYYORXSA-N	316.405	1.470	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccco1)c1cc2c(s1)CCC2	783526779	MKLFSBSXVMVZOI-UHFFFAOYSA-N	312.372	1.453	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNc1ncccn1)c1ccnn1C	788322763	YJGXGCSRFPDKOU-LLVKDONJSA-N	303.370	1.276	50	20	DDGD	
C[C@@H](Cc1ccccc1)C(=O)NNc1ccc(-n2ccnc2)nn1	788175545	UQAQEDZEGNRLPV-ZDUSSCGKSA-N	322.372	1.984	50	20	DDGD	
CCNC(=O)c1ccc(OS(=O)(=O)CBr)cc1	782445530	XIYIKQZHHZEJCM-UHFFFAOYSA-N	322.180	1.497	50	20	DDGD	
COCCn1cc(C(=O)NN=c2cc[nH]cc2Cl)c(C)n1	782850737	BHJGAUHDICUMER-UHFFFAOYSA-N	309.757	1.065	50	20	DDGD	
O=C(C[C@@H]1OC(=O)c2ccccc21)NNc1ccnc(F)c1	781365408	KIQMZDXXYJLQAH-LBPRGKRZSA-N	301.277	1.966	50	20	DDGD	
CC(C)n1ccc(NC(=O)C(=O)NNc2cc(Cl)ccn2)n1	797084322	NWZJWECHSMUIMH-UHFFFAOYSA-N	322.756	1.594	50	20	DDGD	
CC1(C)CC(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1	794609836	XQHIPHIFCHYDHP-CYBMUJFWSA-N	304.346	1.410	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])C1(O)CCSCC1	791149558	HPDCJURBELVEMM-UHFFFAOYSA-N	315.326	1.435	50	20	DDGD	
O=C(O)CCOc1cccc(C=NNC(=O)[C@H]2CCOC2)c1	792653502	IHSPZCXKNRRBTJ-LBPRGKRZSA-N	306.318	1.027	50	20	DDGD	
O=C(NNC(=O)c1cnn2cccnc12)c1c[nH]c2ccccc12	896280632	PBSUGBUOBAZWJV-UHFFFAOYSA-N	320.312	1.285	50	20	DDGD	
NC(=O)Cc1occc1C(=O)NNC(=O)c1cccc(Cl)c1	794767804	WOOIISALUBJWQB-UHFFFAOYSA-N	321.720	1.036	50	20	DDGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NNC(=O)NC1CCCCC1	794763455	FFEBHVPDCUBNPR-GWCFXTLKSA-N	312.414	1.200	50	20	DDGD	
CC(C)n1nccc1C=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1	794484493	VOFSAIMUIDVNMC-UHFFFAOYSA-N	316.321	1.718	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc2nccc(C)c2c1	794760453	KJVODQHPDPTFBE-UHFFFAOYSA-N	300.387	1.838	50	20	DDGD	
CO[C@@H](C)CCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	798308892	CPMJDCMWXQDHIZ-LBPRGKRZSA-N	321.377	1.204	50	20	DDGD	
CC(CN1Cc2ccccc2C1)=NNC(=O)C(=O)NC(C)C	792631293	QOQBOCWHSHOKMA-UHFFFAOYSA-N	302.378	1.019	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)C(=O)Nc1cnns1	799844944	UKJKEOZXWZCNHO-UHFFFAOYSA-N	305.363	1.491	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(C(F)(F)F)s1	796249589	WNUDVURPLQPMGQ-UHFFFAOYSA-N	318.280	1.873	50	20	DDGD	
CN(CCC(=O)NNC(=O)c1ccncc1)C1CCCCC1	791122416	ZAPIMCJTRZHCHI-UHFFFAOYSA-N	304.394	1.497	50	20	DDGD	
O=S(=O)(NCCC1CC(O)C1)c1ccc(CCl)cc1	702441260	LOEAOTHXYXYFRP-UHFFFAOYSA-N	303.811	1.865	50	20	DDGD	
CCS(=O)(=O)c1cccc(NC(=O)NNc2ncccn2)c1	1320533795	PHPGUOCMGSBWMA-UHFFFAOYSA-N	321.362	1.419	50	20	DDGD	
CCCc1cnc(NC(=O)C(=O)NNc2ccc(C)nn2)s1	1324576141	WRCYYLOQHVEWJC-UHFFFAOYSA-N	320.378	1.276	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)C[C@H]2CCCC(=O)N2)nn1	1324414420	UPDSOAGFPSXZOU-SNVBAGLBSA-N	305.382	1.276	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1ccc2nccn2c1	1327342122	HRPWDTZGPBQJFZ-UHFFFAOYSA-N	324.344	1.011	50	20	DDGD	
COc1cc(CCC(=O)NNc2ccc(C(C)(C)C)nn2)on1	1328560217	FKFMNSWYAJGARN-UHFFFAOYSA-N	319.365	1.847	50	20	DDGD	
CN(Cc1ccccc1)C1CCC(=NNC(=O)CCO)CC1	1256446809	JGUIKIIWBJKGKY-UHFFFAOYSA-N	303.406	1.916	50	20	DDGD	
CC(=NNC(=O)C1CCOCC1)c1cc(C(=O)O)ccc1C	1336992811	MQBCSIXFBXMYAH-UHFFFAOYSA-N	304.346	1.960	50	20	DDGD	
COC1([C@H](C)NC(=O)NNc2nncc(N)c2Cl)CCC1	1345066456	KQGBDXDFNHCIET-ZETCQYMHSA-N	314.777	1.296	50	20	DDGD	
NC1(CNC(=O)NNC(=O)c2c(Cl)cccc2Cl)CC1	1346664819	OAFRAECVJIXZJP-UHFFFAOYSA-N	317.176	1.429	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1nc(C(C)(C)C(=O)O)cs1	1605619266	VMUCZVRYEXGASB-SOFGYWHQSA-N	309.347	1.888	50	20	DDGD	
O=C(/C=C\C1CCOCC1)NNc1cccc(C(=O)O)c1F	1601232576	NJKVMYCLOFUKOP-PLNGDYQASA-N	308.309	1.950	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2n[nH]c3c2CCCC3)cc1	1608781604	LVIGQQKIYNSMCA-UHFFFAOYSA-N	314.345	1.673	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)cc1	1601108514	IQYOXWLRGFCLGP-VIRABCJISA-N	311.341	1.914	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)C1(F)CCOCC1	1607139718	AWMUTVLHWZMCIU-UHFFFAOYSA-N	312.297	1.355	50	20	DDGD	
Cc1cc(NNC(=O)CCc2ccccc2C(=O)O)nc(C)n1	1610475257	DMRLAVDVPQVGIA-UHFFFAOYSA-N	314.345	1.868	50	20	DDGD	
O=C(NNc1ccc(F)c(C(=O)O)c1)N[C@H]1CCCNCC1	1610701056	FUYRHUBCAGLTGZ-VIFPVBQESA-N	310.329	1.292	50	20	DDGD	
C[C@@H]1COCC1=NNC(=O)[C@H]1CCCO[C@H]1c1nccn1C	1550191792	HSXGXBFPPOUOIU-NTZNESFSSA-N	306.366	1.026	50	20	DDGD	
C=C(CCC(=O)O)C(=O)NNC(=O)Nc1ccc(Cl)cc1	1573336573	DIMATNPSPMHBHJ-UHFFFAOYSA-N	311.725	1.914	50	20	DDGD	
COCCN(CC(C)C)NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2N1	1579026164	OOFOOLMMOFISOP-OAGGEKHMSA-N	311.470	1.933	50	20	DDGD	
CC(C)(C(=O)O)[C@H](NS(=O)(=O)CCl)c1ccccc1	1589601531	MPCJOSCKOYRITQ-SNVBAGLBSA-N	305.783	1.954	50	20	DDGD	
CC(C)(C)[C@H](C(=O)O)C(=O)NNC(=O)c1c[nH]c2ccccc12	1588634853	SGHKJUGORKCQBC-LBPRGKRZSA-N	317.345	1.676	50	20	DDGD	
C[C@]1(CNC(=O)N[C@H]2CC=C(C(=O)O)C2)C[C@H]1Br	1594018165	XDYAERGLBJJTAP-YGOYTEALSA-N	317.183	1.633	50	20	DDGD	
CCCCNC(=O)NN=C1CCc2ccc(-c3nn[nH]n3)cc21	1590604854	ZMSCMEURUGSFRE-UHFFFAOYSA-N	313.365	1.616	50	20	DDGD	
CCN(CC)CCC(=O)NN=C(C)c1ncc(C(=O)O)s1	1596262647	FKIBRWMSQCBEKN-UHFFFAOYSA-N	312.395	1.413	50	20	DDGD	
CCC(=NNC(=O)c1ncon1)c1cc(C(=O)O)ccc1F	1776106189	TYHBVQPDPZLCND-UHFFFAOYSA-N	306.253	1.451	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C/c1cc(F)c(C(=O)O)cc1F	1776946049	HHXIYSHNPAWVNF-FPYGCLRLSA-N	301.270	1.962	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)O)CCC1=NNC(=O)c1cn2c(n1)CCCC2	1776105535	OSCIOOSFUKNZBZ-QWRGUYRKSA-N	318.377	1.826	50	20	DDGD	
C[C@H](Oc1ccccc1)C(=O)NNC(=S)Nc1ccccn1	161866756	FDDHRXOXBLYHHI-NSHDSACASA-N	316.386	1.867	50	20	DDGD	
O=C(CCCc1nc(C2CC2)no1)NNC(=O)c1ccccc1	158404637	SFGIDRQDLOCHGL-UHFFFAOYSA-N	314.345	1.731	50	20	DDGD	
COC(=O)NNC(=O)CN(Cc1cccnc1)c1ccccc1	158904711	YLJMOJISUCJELO-UHFFFAOYSA-N	314.345	1.475	50	20	DDGD	
C[C@H](C(=O)NNc1cnc2ccccc2n1)N1CCSCC1	163537206	JRUVNHUMCQRJTH-LLVKDONJSA-N	317.418	1.510	50	20	DDGD	
C[C@@]1(NNC(=O)Nc2ccc(F)c(F)c2)CCS(=O)(=O)C1	152782521	HMSNKYDAODUOSH-GFCCVEGCSA-N	319.333	1.168	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCCCO2)c1	153502275	WIEXBPJQYRBAJC-ZDUSSCGKSA-N	303.387	1.555	50	20	DDGD	
CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(CCCl)cc1	36324917	MJYIJTGHTVNNHP-UHFFFAOYSA-N	318.826	1.177	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)NC[C@@H]1CCOC1	104792116	CFPYLVKQFGSYFZ-LBPRGKRZSA-N	316.361	1.008	50	20	DDGD	
CSC[C@H](C)C(=O)NNC(=O)Cc1cn2ccccc2n1	173877349	OZRKLLOKUVOLIP-JTQLQIEISA-N	306.391	1.023	50	20	DDGD	
CO[C@H](C)C(=O)N/N=c1\nc(-c2ccccn2)[nH]c(C)c1C	114891390	TYWWYCVIGPADPC-LLVKDONJSA-N	301.350	1.055	50	20	DDGD	
CNC(=O)NNC(=O)/C=C\c1ccccc1OC(F)(F)F	56376860	BBDXQMWTCPVSEG-SREVYHEPSA-N	303.240	1.559	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)Cc2c(C)nn(C)c2C)nc(C)n1	173835010	WOXZJSFTEYRGOU-SECBINFHSA-N	316.409	1.766	50	20	DDGD	
O=C(Cc1ccn[nH]1)NNC(=O)c1cccc(Br)c1	106416689	FCENOKAEVXUKHV-UHFFFAOYSA-N	323.150	1.176	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CCOC2)c1C	179180040	HYWMVRAKPQIKOW-HTRKUNOGSA-N	317.389	1.563	50	20	DDGD	
C[C@H](C(=O)NNC(=O)NC1CCCCC1)N1CCCCCC1	173615193	OWKFLJCMVVQJSC-CYBMUJFWSA-N	310.442	1.914	50	20	DDGD	
COc1ccc(NNC(=O)Cc2cc(C)on2)c([N+](=O)[O-])c1	178742614	GTWBVAYKAXENLD-UHFFFAOYSA-N	306.278	1.586	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)Nc2ccc3c(c2)COC3)cc1	119681768	LRPOVMMFLOMTBM-UHFFFAOYSA-N	322.324	1.670	50	20	DDGD	
Cc1ccnc(NNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1	176729188	JDDGGBFLQZADFR-UHFFFAOYSA-N	305.269	1.776	50	20	DDGD	
O=C(COc1ccc(Br)cc1)NNc1cccnn1	172368939	FLJVPEOLDGYAEX-UHFFFAOYSA-N	323.150	1.761	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C2C3CC4CC(C3)CC2C4)cn1	117680719	XMRCIBJIELRMKU-UHFFFAOYSA-N	302.378	1.253	50	20	DDGD	
O=C(CC1CCOCC1)NNC(=O)Cn1ccc2ccccc21	117143796	NYPUCUMCTDTSHA-UHFFFAOYSA-N	315.373	1.605	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cccn1Cc1ccccc1	110760487	MOVYBAOSMLNXTH-UHFFFAOYSA-N	323.356	1.643	50	20	DDGD	
CCOc1ccc2cc(C(=O)NNC(=O)NCC3CC3)[nH]c2c1	65191820	KYBAXDXZVSNQHZ-UHFFFAOYSA-N	316.361	1.921	50	20	DDGD	
Cc1cc(Cl)c(C(=O)NNC(=O)C(=O)NC(C)C)cc1C	181727001	IFGZXEKYLCMSIK-UHFFFAOYSA-N	311.769	1.242	50	20	DDGD	
CC1(C(=O)NNc2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)CC1	120177652	VLOUJYGHTRTBCE-UHFFFAOYSA-N	304.354	1.118	50	20	DDGD	
Cc1c(C(=O)NNC(=O)Cc2ccncc2)cnn1CC(C)C	125777896	SLROBRCECMNYHG-UHFFFAOYSA-N	315.377	1.246	50	20	DDGD	
CN(CCCNC(=O)NNc1ccccn1)CC(F)(F)F	79490077	RSXVHGUSFUMNIP-UHFFFAOYSA-N	305.304	1.592	50	20	DDGD	
CC(C)Oc1cccc(CC(=O)NNC(=O)c2ccc[nH]2)c1	121875267	YCFSVBDEMRHHEZ-UHFFFAOYSA-N	301.346	1.806	50	20	DDGD	
CN(NC(=O)CCCc1nc(-c2cccs2)no1)C(N)=O	181068568	MJYYCXMVCKMNOV-UHFFFAOYSA-N	309.351	1.163	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNc2cc(C)nc(C)n2)c1	128823907	KIRVDOOMQSIUFM-UHFFFAOYSA-N	302.334	1.868	50	20	DDGD	
CN(Cc1cccc(C#N)c1)S(=O)(=O)CBr	126691571	JNTJASVVZDHHHG-UHFFFAOYSA-N	303.181	1.672	50	20	DDGD	
COCCCCC(=O)NNc1cccc(S(C)(=O)=O)c1	181114106	UHVZNLJKSKTJAU-UHFFFAOYSA-N	300.380	1.350	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1ccnc(O[C@H]2CCOC2)c1	184570631	OJJVVZZAOCSLAF-LBPRGKRZSA-N	318.308	1.540	50	20	DDGD	
CC(C)(C)CC(=O)NCC(=O)NNc1ccc([N+](=O)[O-])cc1	133702080	SVKHGSGLQZVJHR-UHFFFAOYSA-N	308.338	1.590	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NNc2nnc(C3CC3)s2)C1	184537337	RWTIVNHKRNWAEA-JTQLQIEISA-N	309.395	1.117	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1cnn(CC(C)C)c1	180698361	BXJGWXFBXBLXAK-OVCLIPMQSA-N	304.394	1.989	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1occc1Br	81725626	PDEIQPIHVAQBQW-UHFFFAOYSA-N	320.143	1.023	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N(C)Cc2cscn2)s1	49054036	SLBPYONMZXNPFN-UHFFFAOYSA-N	310.404	1.999	50	20	DDGD	
O=C(NNc1ccccc1Cl)N[C@H]1CCS(=O)(=O)C1	42868911	TUMWZEVXFSUXTA-QMMMGPOBSA-N	303.771	1.153	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Cc1ccc(C)c(O)c1	89440986	JXAFHPHEGXWXOA-UHFFFAOYSA-N	314.341	1.713	50	20	DDGD	
O=C(NNC(=O)c1cccc(N2CCCC2=O)c1)c1ccncc1	194765171	KPTVBXYBDNVKRI-UHFFFAOYSA-N	324.340	1.283	50	20	DDGD	
O=C(CCOc1ccccc1F)NNc1nc2ccccn2n1	191901397	CRXYNZQKIPYXEG-UHFFFAOYSA-N	315.308	1.781	50	20	DDGD	
COc1ccc2[nH]cc(CC(=O)NNC(=O)c3ccc[nH]3)c2c1	97297570	ZLFXJFCFGUSGJK-UHFFFAOYSA-N	312.329	1.508	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@H](C)c1c(C)noc1C	94121451	IXGQRYNQAQOAMU-SSDOTTSWSA-N	316.452	1.253	50	20	DDGD	
COc1cc(OC)c(C=NNC(=O)c2ccncc2)c(OC)c1	254292709	BCQROTLTENFYGQ-UHFFFAOYSA-N	315.329	1.871	50	20	DDGD	
O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1ccc(O)cc1	254439593	TXVCMGXUDNGXMK-UHFFFAOYSA-N	322.328	1.196	50	20	DDGD	
CSc1ccc(O[C@H](C)C(=O)NNC(=O)NC(C)C)cc1	265929763	ROCWFUGYMBZCRQ-SNVBAGLBSA-N	311.407	1.915	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1cc2n(n1)CCO2	368159146	MMTIIYNZVBQYEV-UHFFFAOYSA-N	301.306	1.050	50	20	DDGD	
CCS(=O)(=O)c1ccccc1C(=O)N1CC=C(C#N)CC1	273849460	NDIIWGRBVVBSRP-UHFFFAOYSA-N	304.371	1.776	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)Nc1ccccn1	272999697	ZZUADCODMJAYCA-VIFPVBQESA-N	323.353	1.148	50	20	DDGD	
CC(C)C(C)(C)CNC(=O)NNC(=O)COc1ccccc1O	275512807	SXWZOGWGVXSUNT-UHFFFAOYSA-N	323.393	1.784	50	20	DDGD	
O=C(CN1CCCCCC1=O)NNc1cccc(F)c1[N+](=O)[O-]	279211043	DVUSCTGQVRBQGT-UHFFFAOYSA-N	324.312	1.580	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NNc1ccc(Cl)c(F)c1	273071514	KVOZGEWKASAPHX-JTQLQIEISA-N	315.776	1.891	50	20	DDGD	
CC(=O)N[C@H](CC1CCC1)C(=O)NNC(=O)c1ccc(C)s1	278520689	YAURGDVEVSSWEM-GFCCVEGCSA-N	323.418	1.512	50	20	DDGD	
N#CC1=CCN(C(=O)CNC(=O)c2cc(F)cc(F)c2)CC1	272666174	JCDWYBQOJNFVIF-UHFFFAOYSA-N	305.284	1.377	50	20	DDGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NNC(C)=O)c1C	279153618	ZEYLYMCMDWJNCJ-BXRZMRDGSA-N	318.377	1.387	50	20	DDGD	
CN(C)CCc1ccccc1NC(=O)NNc1ncccn1	275559955	BCQGBRJOSUVAOO-UHFFFAOYSA-N	300.366	1.729	50	20	DDGD	
CC(C)[C@@]1(C)C[C@@H]1C(=O)NNC(=O)COc1ccccc1O	274677685	LPSMXIYIKWJRNA-BDJLRTHQSA-N	306.362	1.601	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccc(C)c(OC(C)C)c1	280325427	SBCWDBJOYMWGLA-UHFFFAOYSA-N	309.322	1.108	50	20	DDGD	
COC(=O)[C@H]1C[C@H](O)CN1CCO[Si](C)(C)C(C)(C)C	377523584	KEHQIQSQVVKUDG-NWDGAFQWSA-N	303.475	1.616	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C	285778574	ARVZCXCZIQFORY-UHFFFAOYSA-N	312.238	1.154	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Nc1ccccc1)N(C)CC(F)(F)F	283675638	GSIUDUGYIVZNLL-VIFPVBQESA-N	318.299	1.722	50	20	DDGD	
CSSCCNC(=O)[C@@](C)(O)Cn1c(C)cccc1=O	285863120	ZFDXIRGQWIKOGZ-ZDUSSCGKSA-N	316.448	1.035	50	20	DDGD	
CC(C)c1ncc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)cn1	280944048	FVVNJVJEMNHWQH-UHFFFAOYSA-N	321.381	1.122	50	20	DDGD	
Cc1cc(C(=O)NNc2nc(-c3ccncc3)no2)cc(O)n1	376875831	KZZKVBVJAPIGJU-UHFFFAOYSA-N	312.289	1.298	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)c1cccc(N(C)C)c1	282465032	HNIJVKVCFRJWTQ-MISXGVKJSA-N	305.378	1.327	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCC2([S@](C)=O)CC2)cc1	282412267	XVHUDFOPGBICFE-QFIPXVFZSA-N	323.418	1.104	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NC[C@H]1CC[C@H](C(N)=O)O1	282227432	DFLCZXAEKOJVRP-CHWSQXEVSA-N	320.393	1.216	50	20	DDGD	
COCC(C)(C)CNC(=O)NNC(=O)Cc1ccccc1OC	291665845	ATMLMPFJJDXEOM-UHFFFAOYSA-N	323.393	1.241	50	20	DDGD	
CSSCCNC(=O)N(C)CCCN1CCN(C)CC1	807231016	GKAALMVHEQTOSL-UHFFFAOYSA-N	320.528	1.277	50	20	DDGD	
NC(=O)NCc1ccc(C(=O)NNc2cccc(F)n2)cc1	804773518	WTBCGINDMUZXDA-UHFFFAOYSA-N	303.297	1.146	50	20	DDGD	
C[C@H](NC(=O)NNc1ncc(F)cc1F)[C@H]1CCCCO1	297225726	HUDZPUBGKZWFSP-GZMMTYOYSA-N	300.309	1.944	50	20	DDGD	
CC(C)[C@@](C)(O)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802117571	UQXCVDNXNPFKRA-OAHLLOKOSA-N	308.382	1.312	50	20	DDGD	
CCOc1ccc(/C=C/C(=O)NNC(=O)[C@@H]2CCCCO2)cc1	295829954	ZBXUCUJMNHCCLV-SHQCLWGWSA-N	318.373	1.815	50	20	DDGD	
Cc1cnc(COCC(=O)NNC(=O)Nc2ccccc2C)o1	803163536	UZFULURBJSPLEV-UHFFFAOYSA-N	318.333	1.661	50	20	DDGD	
COc1cc(C)ccc1CNC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	297990871	PAUOVWMCDQGSSQ-AAEUAGOBSA-N	321.377	1.402	50	20	DDGD	
Cc1csc(CCCC(=O)NNC(=O)[C@@H]2CCCCO2)n1	295726747	LRNXJBRJDRBUHG-NSHDSACASA-N	311.407	1.491	50	20	DDGD	
C#CCOc1ccc(CNC(=O)NNC(=O)CC(C)C)cc1	297135678	SOJJVANQVMLEBH-UHFFFAOYSA-N	303.362	1.575	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@@H]1CCCOc2ccccc21	291762577	GRRJKHMLHGGRDU-OCCSQVGLSA-N	319.361	1.410	50	20	DDGD	
O=C(NNc1ncccc1C(F)(F)F)c1cc([N+](=O)[O-])n[nH]1	806902524	YTCFVZNGJVSOAS-UHFFFAOYSA-N	316.199	1.489	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)Cc2cccnc2)o1	293051191	KSMYRCIHRRDKFZ-UHFFFAOYSA-N	302.334	1.334	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	294161362	IFFYQFWAXGFGFP-QCNOEVLYSA-N	308.403	1.875	50	20	DDGD	
CC(C)c1ccc(OCC(=O)NNC(=O)[C@H]2CCCCO2)cc1	295282449	CUINQONUEKDQMA-OAHLLOKOSA-N	320.389	1.905	50	20	DDGD	
O=C(CCc1cnccn1)NNC(=O)Nc1ccc(Cl)cc1	802016743	LBVFFOKIBYLVBO-UHFFFAOYSA-N	319.752	1.916	50	20	DDGD	
Cc1nnc(NNC(=O)CCc2nc3ccccc3o2)nc1O	817280244	BBJUPLTVJCKNFX-UHFFFAOYSA-N	314.305	1.103	50	20	DDGD	
Cc1ccc(SCC(=O)NN=Cc2c(C)nn(C)c2N)cc1	814752999	CJQGDOWIHIROAF-UHFFFAOYSA-N	317.418	1.862	50	20	DDGD	
COc1ccc(NC(=O)NNc2ncncc2F)cc1OC	814484680	XKWVEORVRFIMMU-UHFFFAOYSA-N	307.285	1.782	50	20	DDGD	
O=C(NNc1ncncc1F)Nc1ccc2c(c1)C(=O)NCC2	814639794	FCKRIBWINVPCRR-UHFFFAOYSA-N	316.296	1.050	50	20	DDGD	
O=C(NNc1ncncc1F)c1cc(Cl)c2c(c1)OCCO2	817078815	WBRZQJVUWOATRG-UHFFFAOYSA-N	324.699	1.797	50	20	DDGD	
O=C(CN(Cc1ccccc1)c1ccccc1)NNc1nc[nH]n1	816633802	NHKCMZCATSNENO-UHFFFAOYSA-N	322.372	1.955	50	20	DDGD	
C#CCn1cc(CNC(=O)[C@H](Br)C(C)(C)C)cn1	819538065	QJDJSTUCCJDCLX-NSHDSACASA-N	312.211	1.942	50	20	DDGD	
COC(=O)c1cccc(NC(=O)NNc2ncncc2F)c1	814584149	HWXLNXARYQUJDP-UHFFFAOYSA-N	305.269	1.551	50	20	DDGD	
CC(CC1(C(=O)O)CCC1)=NNC(=O)C(=O)Nc1ccccn1	814869822	XFTWIJQNOSWHMO-UHFFFAOYSA-N	318.333	1.157	50	20	DDGD	
O=C(CCNC(=O)C1CCCCC1)NNC(=O)CC(F)(F)F	725889210	RVEMUYGDSZDGLZ-UHFFFAOYSA-N	323.315	1.173	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=Cc1cc(CO)ccc1O	814864048	NKSDFOPDGGCQHJ-UHFFFAOYSA-N	324.340	1.225	50	20	DDGD	
Cc1ncsc1C=NNC(=O)c1cccc(-c2nn[nH]n2)c1	822482023	IUIQMTNZCFMJDT-UHFFFAOYSA-N	313.346	1.396	50	20	DDGD	
O=C(CCOCC1CC1)NNc1cccc(-c2nn[nH]n2)c1	826407979	KZUJWLOSQPZXJL-UHFFFAOYSA-N	302.338	1.127	50	20	DDGD	
C#C[C@H](CCC)NC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	820631268	WPVRTTVIZNXBAR-WCQYABFASA-N	321.352	1.725	50	20	DDGD	
C[C@H](C(=O)NNC(=O)NC1CC1)[C@@H](C)NC(=O)OC(C)(C)C	496624471	PPBKQXLMJIKPQY-DTWKUNHWSA-N	314.386	1.029	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC[C@H]1C1CCCC1	827314460	DDXJBZJDESHPLQ-UBHSHLNASA-N	309.410	1.807	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC[C@@H]1c1cccc(F)c1	827468789	YQOVVAPTHYQVMO-CQSZACIVSA-N	307.369	1.766	50	20	DDGD	
COC(=O)N(C)N=Cc1c[nH]nc1-c1ccc2c(c1)OCO2	495742434	ACWMTYLMETUXIM-UHFFFAOYSA-N	302.290	1.838	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCCNC(=O)C2)cc1	726780416	CMBIFCIRXXLDGF-UVTDQMKNSA-N	313.357	1.341	50	20	DDGD	
CCN(CCO)NC(=O)Cc1nc(-c2ccccc2)cs1	823889091	HQVGIAAALMAIRK-UHFFFAOYSA-N	305.403	1.698	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(Br)ncc1Cl	495956067	ANUZLLHBQOCLTJ-UHFFFAOYSA-N	322.546	1.888	50	20	DDGD	
CN1CCCC[C@H](C(=O)NNc2cc(F)c(F)cc2F)C1=O	821163967	QMWQYYMQZPSJEL-MRVPVSSYSA-N	315.295	1.806	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cccc(C(=O)O)c2)cc1	821329670	DXKCMDWEQBUCKC-UHFFFAOYSA-N	309.281	1.331	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@H]1COc2cc(F)ccc2C1	822512473	FEKGZHBDTYAJDJ-GFCCVEGCSA-N	307.325	1.260	50	20	DDGD	
CCCC[C@@](C)(F)C(=O)NNC(=O)COc1ccccc1O	826773602	CEKQHVGTGOTNGS-OAHLLOKOSA-N	312.341	1.837	50	20	DDGD	
C/C(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)=C\c1ccccc1	728436794	SOXCOPGSBRXYQF-ULNCLKOVSA-N	309.391	1.130	50	20	DDGD	
C=CCOc1ccc(/C=C/C(=O)NN(C)C(N)=O)cc1OC	492366805	VSBAHEIWBJZZHR-SOFGYWHQSA-N	305.334	1.315	50	20	DDGD	
N#Cc1c(F)cccc1N1CCN(S(=O)(=O)CCl)CC1	829942712	REAIXKGTLGYFLU-UHFFFAOYSA-N	317.773	1.345	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCCC23OCCO3)cn1	491050242	PIYVCDZTOGNCBJ-MAUPQMMJSA-N	316.361	1.129	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2nn(C)c3c2CCCC3)n1	826092079	ZOMKLIJFZIOCHV-UHFFFAOYSA-N	320.784	1.808	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cnc(S)n1-c1ccc(F)cc1	823976366	CDLVTJREZXZLMU-SECBINFHSA-N	324.381	1.258	50	20	DDGD	
COCc1cccc(C=NNC(=O)CNC(=O)OC(C)(C)C)c1	494625738	VJPOFOWVZACQIC-UHFFFAOYSA-N	321.377	1.808	50	20	DDGD	
OB(O)c1ccc(CNc2cnc3c(c2)CCCC3)c(F)c1	585034841	MMUTXVZZKLFDIH-UHFFFAOYSA-N	300.142	1.391	50	20	DDGD	
CCOC(=O)CC(C)(C)CC(=O)NNC(=O)OC(C)(C)C	495641192	OTUQWWZZCXELKX-UHFFFAOYSA-N	302.371	1.912	50	20	DDGD	
Cc1cc(C(=O)N2CC[C@@H](B(O)O)C2)c(C)n1-c1nccs1	585068830	FUVLMOROXNTMHV-LLVKDONJSA-N	319.195	1.240	50	20	DDGD	
Cn1cc(/C=C\C(=O)NNC(=O)c2c[nH]c3ccccc23)cn1	731483130	WYFZIIJVDXYDOZ-SREVYHEPSA-N	309.329	1.376	50	20	DDGD	
COC(=O)[C@@H](C)CSCC(=O)NNC(=O)c1ccc(C)cc1	734368949	USFFIGBJAOQWHG-NSHDSACASA-N	324.402	1.298	50	20	DDGD	
O=C(CCC(=O)c1cc(Cl)sc1Cl)NCB(O)O	585059903	GBNMVXGKAIOGBR-UHFFFAOYSA-N	309.967	1.146	50	20	DDGD	
C[C@H](CC(=O)O)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	827304503	WGYFGSHTWZBJEJ-SECBINFHSA-N	324.402	1.889	50	20	DDGD	
C[C@]1(C(=O)N2CCC(n3ccnn3)CC2)C[C@@H]1Br	907084520	ATCZQZXAUFERMI-JQWIXIFHSA-N	313.199	1.615	50	20	DDGD	
C/C(=C(\F)C(=O)NNC(=O)Cc1cn2ccccc2n1)C1CC1	900927395	ZCOYHFBIDPECHS-XNTDXEJSSA-N	316.336	1.678	50	20	DDGD	
CC(C)N1CC(=NNC(=O)CNC(=O)OC(C)(C)C)[C@H](C)C1	494625823	WGLJCYMNBJGPCU-LLVKDONJSA-N	312.414	1.343	50	20	DDGD	
CN(C/C=C\C(=O)NN=c1cc[nH]cc1Cl)CC(F)(F)F	492832153	QZVOXJNTSGJCKQ-IHWYPQMZSA-N	322.718	1.650	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NOCCOC(C)C)cc(C#N)n1C	491087313	WWLKWAGEUBMVNH-VGOFMYFVSA-N	316.361	1.585	50	20	DDGD	
Cc1ccc(-c2nnn(CC(=O)NCC(Cl)Cl)n2)cc1	837650593	GACLXUOSHUJYFQ-UHFFFAOYSA-N	314.176	1.568	50	20	DDGD	
C[C@@H]1C[C@@H](C)CN([C@@H]2CCCCC2=NNC(=O)NCC(=O)O)C1	833591389	LNHZGRVGAXKSMP-YRGRVCCFSA-N	324.425	1.647	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2CCCc3nc(C)ncc32)nn1	734953861	LBFHQXQASNSXBJ-CYBMUJFWSA-N	313.365	1.587	50	20	DDGD	
CC(C)[C@H](NCC(=O)NNC(=O)C1CC1)c1ccc(F)cc1	733193296	MPSCCKGHOSMZMB-HNNXBMFYSA-N	307.369	1.670	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(C)c1C	734296564	NEVPWZPEWMILMR-ZDUSSCGKSA-N	308.403	1.578	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1N1CCC(=NNC(=O)NCC(=O)O)CC1	833611427	JFUMANVRXSGTKH-YPMHNXCESA-N	310.398	1.401	50	20	DDGD	
O=C(Cc1coc2ccccc12)NNC(=O)[C@@H]1CCCCO1	833237082	YGIHMJAFFRRLOB-AWEZNQCLSA-N	302.330	1.692	50	20	DDGD	
COCC[C@H](NCc1cccc(B(O)O)c1)c1ccc(C)o1	585033496	HCZLWBSIRJFXSA-HNNXBMFYSA-N	303.167	1.135	50	20	DDGD	
CC(C)C[C@@H]1CCCCN1C(=O)c1ccc(B(O)O)c(F)c1	584958201	MOFGZFXNPNAHSV-ZDUSSCGKSA-N	307.174	1.546	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CCCC(=O)N2C)c(F)c1	909546035	SDUIZQCDUPYMJX-GFCCVEGCSA-N	323.324	1.066	50	20	DDGD	
CCCn1nccc1C(=O)NNc1ccccc1C(=O)OC	831711617	JLIHYEZTBZVIMH-UHFFFAOYSA-N	302.334	1.837	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NNc1cnnc2ccccc12	733810888	DKPSBHXFNIIFKO-NEPJUHHUSA-N	316.361	1.657	50	20	DDGD	
C=CC(C)(C)CNC(=O)NNC(=O)COc1ccc(F)cc1	838664638	HQTUECQZWJLIRZ-UHFFFAOYSA-N	309.341	1.747	50	20	DDGD	
C[C@@]1(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)C[C@H]1Br	906498540	KMGYJQHXQAPKJC-BXKDBHETSA-N	322.166	1.979	50	20	DDGD	
COC1(CNC(=O)[C@@]2(C)C[C@H]2Br)CCOCC1	907089318	XMDMPCHENHWOAV-KOLCDFICSA-N	306.200	1.472	50	20	DDGD	
CN1CC[C@H](C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)CC1=O	737508896	OKSBBRHYANYFCD-QMMMGPOBSA-N	322.273	1.067	50	20	DDGD	
CCN(CCSC)CC(=O)NNC(=O)c1ccc(C)cc1	830999378	HSJSUWVHKXGXFC-UHFFFAOYSA-N	309.435	1.441	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@@H]2C[C@@H]2C(=O)O)c1	738602961	GZAHHOLNOSGSHV-SFYZADRCSA-N	311.338	1.172	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)NNC(=O)CCCc1ccccc1	906540102	KLFUYRNMTAPGBU-CQSZACIVSA-N	317.389	1.168	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNc1ccncn1)c1ccnn1C	836420934	SASFPJDINJDDPU-LLVKDONJSA-N	303.370	1.276	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCC[C@H]1CCCN(C)C1	838768768	NZPMYFQVCMHRJN-CQSZACIVSA-N	318.421	1.671	50	20	DDGD	
CC[C@@](C)(C=NNC(=O)c1nn(C)c(=O)c2ccccc12)OC	834926712	VYCAVDCBGDYEHM-INIZCTEOSA-N	316.361	1.464	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)c(N(C)C)n1	836478732	UXTSIBVXDBVKLK-LBPRGKRZSA-N	321.381	1.178	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1ccc2c(c1)OCCCO2	731904778	RFYVVJLTZCLPPZ-JTQLQIEISA-N	324.402	1.886	50	20	DDGD	
CC[C@@H]1C[C@@H](C)CN1CC(=O)NNC(=O)c1ccc(C#N)cc1	839504995	NPKKQECPNXXXSB-IUODEOHRSA-N	314.389	1.440	50	20	DDGD	
CSCc1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)cc1	833262302	VLLAPUIZCAOGBL-ZDUSSCGKSA-N	308.403	1.880	50	20	DDGD	
CC(C)SCC(=O)NNC(=O)COc1ccc(C#N)cc1	914457817	SXXHAQYFJSDMPU-UHFFFAOYSA-N	307.375	1.226	50	20	DDGD	
Cc1cc(C)n(-c2ccc(C(=O)NN(C)C[C@H](C)O)cc2F)n1	910167428	KXEBOQRBNGMFKC-LBPRGKRZSA-N	320.368	1.586	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NC[C@H]1CCCC1(F)F	838673540	NDPHNIISEWVWGO-ZCFIWIBFSA-N	303.231	1.705	50	20	DDGD	
Cn1c(C(=O)NNC(=O)c2ccc(Cl)nc2)ccc1[N+](=O)[O-]	917251168	TYJUBFCCTAGLTL-UHFFFAOYSA-N	323.696	1.057	50	20	DDGD	
CC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1C	831588991	PYBWMQQQWOKZID-RISCZKNCSA-N	319.361	1.775	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1)c1ccncc1	916372823	WSYQXLSQEZKKEZ-MELADBBJSA-N	318.421	1.667	50	20	DDGD	
Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843662411	SNTNFNFHOLATDY-GHMZBOCLSA-N	321.333	1.398	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C[C@@H](c1ccccc1)N(C)C	841391071	KZSUNCCIVZKYDW-AWEZNQCLSA-N	315.377	1.172	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc([S@](C)=O)cc2)n1	748338312	HIILGIFWWCLWOG-NRFANRHFSA-N	324.793	1.933	50	20	DDGD	
O=C(NC[C@@H]1CCCN1)[C@@]12CC[C@@H](C[C@@H]1Br)C2	846665581	MVQICHNPTLGEQD-MRBYEJRBSA-N	301.228	1.808	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1c[nH]c2ccc([N+](=O)[O-])cc12	842561399	KOFFDBUCTZPSGL-SKDRFNHKSA-N	316.317	1.951	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2(N(C)C)CC2)c2ccccc2n1	847045886	KYGHESLTFBIGRJ-UHFFFAOYSA-N	312.373	1.398	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CSc1ccc(F)cc1	843649832	XUFMZZJVOMKORU-SKDRFNHKSA-N	312.366	1.490	50	20	DDGD	
Cc1ncsc1CCS(=O)(=O)NCCCSC#N	916992710	WIWOOXXPVVMHKU-UHFFFAOYSA-N	305.450	1.518	50	20	DDGD	
O=C(NNc1ccccc1F)[C@H]1CCCN1c1ncccn1	748050155	IDBMJHLQDBYUAZ-CYBMUJFWSA-N	301.325	1.728	50	20	DDGD	
COc1ccc2nc(NNC(=O)[C@@]3(O)CCOC3)c(C)cc2c1	840415435	VTPMEMKFSBRXBG-MRXNPFEDSA-N	317.345	1.146	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=Cc2cnn(C)c2)cc1	917211681	IAOCIEGWRFDNCF-LBPRGKRZSA-N	316.361	1.736	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=C1CCN(Cc2ccccc2)C1	842558020	QXFOVMQRDCGIEB-XJKSGUPXSA-N	301.390	1.790	50	20	DDGD	
O=C(NNc1cccc(F)c1F)[C@@H]1CCCN1C(=O)C1CC1	843835618	ZBYNHNYAXIJUOG-LBPRGKRZSA-N	309.316	1.809	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1C(=O)Nc2ccc(F)cc21	916356041	UYHVRXBBCKRWRI-UHFFFAOYSA-N	306.341	1.330	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)NNC(=O)CC1CCCC1	749945037	ISNZQOYGZKNFAS-CYBMUJFWSA-N	323.437	1.751	50	20	DDGD	
CN1C(=O)CCC[C@@H]1C(=O)NC[C@@]1(C)C[C@@H]1Br	912827225	KKQGHPNZCBDWIS-VDDIYKPWSA-N	303.200	1.287	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=C[C@@]1(C)C[C@@H]1c1ccccc1	841625054	YFUJXMSJKDEQLG-NJZAAPMLSA-N	323.418	1.220	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1cc(C(=O)N(C)C)ccc1OC	917605133	PITGHVYFCFOCCE-BENRWUELSA-N	317.345	1.779	50	20	DDGD	
Cc1ccc(/C=C(\C#N)C(=O)OCCN2CCOCC2)cc1	747678361	WGYWLIWOLSDOSC-FOWTUZBSSA-N	300.358	1.777	50	20	DDGD	
CC[C@H](C)C(=O)NN=Cc1c(OC)nc(N)nc1N1CCCC1	915974710	NUROWSXNLVNEKK-JTQLQIEISA-N	320.397	1.164	50	20	DDGD	
COc1ccc(Br)c(NNC(=O)C(C)(C)O)c1	840550715	KRTIBZIJIHAVEO-UHFFFAOYSA-N	303.156	1.672	50	20	DDGD	
Nc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)c1ccccc1F	746286153	KVAYZLPHPXHSDS-UHFFFAOYSA-N	318.264	1.391	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)COc1ccccc1O)C(C)(C)C	742652082	AVXPYDUVQGCETF-PKNBQFBNSA-N	306.362	1.911	50	20	DDGD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)NN)ccc1Cl	841013797	WHFOXZZHGSCSJA-UHFFFAOYSA-N	320.802	1.366	50	20	DDGD	
C[C@@H]1CN(C(=O)[C@@H](Br)C(C)(C)C)C[C@@H](C(=O)O)O1	910227073	CTHLBFFQTMOUOC-HRDYMLBCSA-N	322.199	1.497	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1ccc(Cl)cc1	842587348	ZSGNNUXVJGLJPO-GZMMTYOYSA-N	318.782	1.075	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)NC[C@H](N)C2CC2)cc1	841966188	RSIXZYDASKJOTG-AWEZNQCLSA-N	318.421	1.665	50	20	DDGD	
Cc1[nH]ccc1C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	749997925	QETCWFCDTCIOQV-UHFFFAOYSA-N	309.329	1.584	50	20	DDGD	
CC[C@H](Oc1ccccc1F)C(=O)NNc1nnc(C)c(O)n1	748288965	ACUWJDRAYUYPLM-JTQLQIEISA-N	321.312	1.325	50	20	DDGD	
COCCN(C[C@H](O)C(F)(F)F)C[C@@H](C)CBr	847024342	IOFNOEDYCBVIPV-IUCAKERBSA-N	322.165	1.889	50	20	DDGD	
CC(C)CO[C@@H](C)C(=O)NNC(=O)Cc1cn2ccccc2n1	746556128	MQOXARJICQKGMU-LBPRGKRZSA-N	318.377	1.085	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NN=Cc1cn(C)nc1-c1ccccc1	842561767	MSGYEIFJUQECJL-IUODEOHRSA-N	312.373	1.962	50	20	DDGD	
CCCNCCNC(=O)NNC(=O)c1cccc2cccnc12	841961487	OKLCZBRFZKATPP-UHFFFAOYSA-N	315.377	1.178	50	20	DDGD	
CC(=O)NNC(=O)[C@@H]1C[C@@]12CCCN(C(=O)OC(C)(C)C)C2	847283018	HXJBETABJGOHKY-XHDPSFHLSA-N	311.382	1.191	50	20	DDGD	
Cc1cc(NNC(=O)CN2CCC(=O)NC2=O)ccc1Cl	928341169	QSSUPNWULUNYHA-UHFFFAOYSA-N	310.741	1.033	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc(O)c(F)c1	854283611	CNSZYDAPKYZGMD-UHFFFAOYSA-N	315.370	1.019	50	20	DDGD	
COc1ccc(C#N)cc1NC(=O)NNC(=O)c1c[nH]nc1C	756277966	CFZFQZGMRPOUTK-UHFFFAOYSA-N	314.305	1.065	50	20	DDGD	
O=C(Cc1ccn(-c2ccccc2)n1)NNC(=O)c1ccncc1	756902506	VATXOTHFCPRILI-UHFFFAOYSA-N	321.340	1.271	50	20	DDGD	
C[C@H](O)c1ncc(C(=O)NNC(=S)NCC2CCC2)s1	855090281	SLSVFESDGNIRAO-ZETCQYMHSA-N	314.436	1.105	50	20	DDGD	
CC(C)(C)NC(=O)CCNC(=O)NNc1ncc(Cl)cn1	856856146	BQAAHSVJGVIMNR-UHFFFAOYSA-N	314.777	1.061	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)CCCNC(=O)C(C)(C)C)nn1	853408075	JEIWSQNOIDGTFL-UHFFFAOYSA-N	322.413	1.252	50	20	DDGD	
C#CCOc1cc(F)ccc1NC(=O)NNC(=O)c1ccc[nH]1	756743731	VHBAJCGVRJUYBB-UHFFFAOYSA-N	316.292	1.632	50	20	DDGD	
CS(=O)(=O)C[C@@H](C(=O)NCC(Cl)Cl)c1ccccc1	854450893	MWDWCYGSHAGHJL-SNVBAGLBSA-N	324.229	1.735	50	20	DDGD	
CC(C)(C)OC(=O)c1cnc(C(=O)NCCCSC#N)cn1	854359749	UODWBZQULDWKQH-UHFFFAOYSA-N	322.390	1.766	50	20	DDGD	
CN(Cc1nccn1C)C(=O)NC[C@@]1(C)C[C@@H]1Br	856954763	SYCAFBCGTNQVOD-JOYOIKCWSA-N	315.215	1.735	50	20	DDGD	
CC1(CCNC(=O)NNc2ccc(Cl)cn2)OCCO1	852254156	OHWCKTRPYAXROZ-UHFFFAOYSA-N	300.746	1.514	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1cc(F)ccc1O	751068839	XIIYLSKLWLLWBH-UHFFFAOYSA-N	324.333	1.692	50	20	DDGD	
O=C(CN1C(=O)CCC1=O)OC[C@@H](CBr)C1CC1	859447379	PJJJKXDSDASICX-SECBINFHSA-N	318.167	1.100	50	20	DDGD	
Cc1sc(NC(=O)C(=O)NNC(=O)CC2CC2)nc1C(C)C	850411281	VLJHOSYSWLPAOT-UHFFFAOYSA-N	324.406	1.461	50	20	DDGD	
O=C(NN=Cc1cnc2ccccn12)c1ccc2c(c1)OCO2	755484813	SSOCFLRLDQCSAB-UHFFFAOYSA-N	308.297	1.827	50	20	DDGD	
COCCCn1nccc1C=NNC(=O)c1cccc(Cl)n1	853410589	SBNNDVVRFYEYTQ-UHFFFAOYSA-N	321.768	1.732	50	20	DDGD	
C[C@]1(CNC(=O)NCCC2=CCNCC2)C[C@@H]1Br	857104087	PXPNXKFJMMLWFL-WCQYABFASA-N	316.243	1.769	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)Cc1cc[nH]n1)c1cccc(Cl)c1	755281424	GPSROHUNVZEWBR-YFHOEESVSA-N	318.764	1.857	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccc2nsnc2c1	753415950	IFEHVJLNNHNUCF-UHFFFAOYSA-N	304.253	1.405	50	20	DDGD	
C[C@@]1(CN2C(=O)[C@@H]3C[C@H](F)CN3C2=O)C[C@H]1Br	857227569	QBEMCQFFBTUHGK-SDCKUUTBSA-N	305.147	1.535	50	20	DDGD	
C=CCCn1cc(C=NNC(=O)[C@@H](C)CN2CCCCC2)nn1	853278878	JNGSGSCAPTYYEA-AWEZNQCLSA-N	318.425	1.426	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1	854919857	HHQUDLLMRMEYKA-RNFRBKRXSA-N	303.840	1.972	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)/C=C\SC)cc1	751457707	KFCZFHAYHRWMJS-JUDLJHIGSA-N	324.402	1.877	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)c1cccc(C)c1)[C@@H]1CCCO1	754513784	HRNYAVNCDAPUNN-GJZGRUSLSA-N	319.405	1.303	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=O)OCC(F)(F)F	856024353	RZCZHYBAILJEQQ-IWSPIJDZSA-N	311.304	1.567	50	20	DDGD	
CC[C@H](C)c1ccc(C(=O)NNc2ccc(C(N)=O)nn2)cc1	757408660	WYKAQFVTQBVTPI-JTQLQIEISA-N	313.361	1.846	50	20	DDGD	
NC(=O)c1ccc(CC(=O)NNc2ccc([N+](=O)[O-])cc2)cc1	754251365	AQYRHCCNNAWJCH-UHFFFAOYSA-N	314.301	1.380	50	20	DDGD	
Cc1nccn1CCCNC(=O)NNc1ccc(Cl)cn1	851977878	HTKQDLHZFTXURZ-UHFFFAOYSA-N	308.773	1.956	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@]1(c2ccccc2)CCCO1	930719200	VYJBQIHDEYXDRS-INIZCTEOSA-N	305.378	1.823	50	20	DDGD	
CC(=O)[C@H](C)SCC(=O)NNC(=O)c1ccc(C#N)cc1	751470729	PPHIFGDYIUECJO-JTQLQIEISA-N	305.359	1.030	50	20	DDGD	
O=C(NNc1cccnn1)c1cn(Cc2cccc(F)c2)nn1	759256851	DYOZSBCXIYNRBU-UHFFFAOYSA-N	313.296	1.012	50	20	DDGD	
Cc1ccc(NCc2ccccc2B(O)O)cc1-c1ncco1	864030669	OHMREUDCQJDGDE-UHFFFAOYSA-N	308.146	1.942	50	20	DDGD	
CC(=O)N[C@H](CC(C)C)C(=O)NNC(=O)Nc1ccccc1	861566566	YVRUELMTJNHFHF-CYBMUJFWSA-N	306.366	1.390	50	20	DDGD	
Cn1nc(C2CCOCC2)cc1NC(=O)NNc1ncccn1	861516796	RRHWNDPRFRNPDH-UHFFFAOYSA-N	317.353	1.253	50	20	DDGD	
COc1cccc(C(=O)NN[C@H](C)C(F)(F)F)c1[N+](=O)[O-]	862318843	XZFMKVGSDJXSAD-ZCFIWIBFSA-N	307.228	1.789	50	20	DDGD	
CCCCn1ncc(C(=O)NNc2ncc(F)cn2)c1CC	760488617	SWPULXVWSCBKTN-UHFFFAOYSA-N	306.345	1.932	50	20	DDGD	
Cc1cc(NNC(=O)c2cnc(C3(C)OCCO3)s2)ncn1	863875005	IEHJWWOBFXYENK-UHFFFAOYSA-N	321.362	1.218	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=Cc2ccc(F)c(C(F)(F)F)c2)N1	863148070	SIRHJXBXUCRWCX-SNVBAGLBSA-N	317.242	1.573	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cccc(C2OCCO2)c1	763958642	JFCXANCWZKABFR-UHFFFAOYSA-N	318.251	1.445	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NN[C@H](C)C(F)(F)F)ccc1F	862309247	NYUACTDWFBVQFD-ZCFIWIBFSA-N	307.247	1.969	50	20	DDGD	
COCCCOc1cccc(C(=O)NNC(=O)NC2CC2)c1C	930720157	NOTKMWKFYIRICT-UHFFFAOYSA-N	321.377	1.517	50	20	DDGD	
O=C(Cc1ccc2c[nH]nc2c1)NNCC(F)(F)C(F)(F)F	863100029	OQBBLWWTSDZGBJ-UHFFFAOYSA-N	322.237	1.924	50	20	DDGD	
O=C(NN=C1CCN2CCC[C@@H]12)[C@@H]1COc2ccccc2O1	765555951	UBFQEONLWVPZBC-WFASDCNBSA-N	301.346	1.167	50	20	DDGD	
CC[C@@H](CC(F)(F)F)NC(=O)NNc1nccc(OC)n1	761040290	CSBGSUYKCOPNPV-ZETCQYMHSA-N	307.276	1.842	50	20	DDGD	
CCCCC1CCC(C(=O)NNC(=O)CS(C)(=O)=O)CC1	863459193	OZQSTQJYERLGGQ-UHFFFAOYSA-N	318.439	1.175	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@H]1CCCC[C@@H]1C(N)=O	866919396	JDOVWJJEIFKLFN-UWVGGRQHSA-N	310.847	1.215	50	20	DDGD	
C[C@H](CCCc1ccccc1)C(=O)NNC(=O)[C@H]1CCC(=O)N1	862462652	ZIKGSBBWISOVTF-TZMCWYRMSA-N	317.389	1.071	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC[S@@](=O)CC1(C)C	867148158	NQZPLOLSAZCVMT-QGZVFWFLSA-N	315.888	1.424	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cccc2c1OCC2	861379075	CAMBSPCJGBKJRG-ONGXEEELSA-N	305.334	1.199	50	20	DDGD	
Cn1nc(C2CC2)cc1C(=O)NNC(=S)Nc1ccccn1	1119899239	FTVQJFBOIHIMFO-UHFFFAOYSA-N	316.390	1.324	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H](C)CN2CCC(C)CC2)ncn1	1117735436	GQURRYLUYVRVPG-CYBMUJFWSA-N	303.410	1.603	50	20	DDGD	
Cc1nccc(C(=O)NNC(=O)CSc2ccccc2O)n1	764047984	YPGWDKCKCGWWKI-UHFFFAOYSA-N	318.358	1.044	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(C)c(Br)n1	879511714	YSBAXQKNZNOWMN-UHFFFAOYSA-N	317.143	1.887	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2ccnn2CC2CCC2)n1	878918391	MOOFLBOFNNQWKF-UHFFFAOYSA-N	315.381	1.296	50	20	DDGD	
CNC(=O)CCCCC(=O)NNC(=O)CCCc1ccccc1	779762892	GNRZPWQRMVBQIX-UHFFFAOYSA-N	319.405	1.463	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H](C)c1noc(C)n1	1117326033	CMEYNSBJOSARFN-MRVPVSSYSA-N	319.321	1.092	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)Cc1csc2nccn12	772891138	MXZUBSPTQBIERH-UHFFFAOYSA-N	316.390	1.995	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)Cc1cc(F)c(F)c(F)c1	777741615	WUSBFXDFHARIAY-MRVPVSSYSA-N	317.311	1.482	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCN([C@@H]2CCC[C@@H](C)C2)CC1	779817299	OEOAQFWNMLJYBF-TZMCWYRMSA-N	324.425	1.489	50	20	DDGD	
CC[C@H](NNC(=O)c1cnn(C)c1)C(=O)Nc1ccc(C)cc1	871873432	VIRZXKFFDKSLRI-AWEZNQCLSA-N	315.377	1.380	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@H](C)C2CCC2)cn1	874955132	JCIBGJKQTRVLBE-SECBINFHSA-N	308.407	1.844	50	20	DDGD	
COCCN(C)NC(=O)Nc1nc(-c2ccccc2)ns1	878336887	VAYNOHDZPJQYDA-UHFFFAOYSA-N	307.379	1.820	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cncc(OCC(F)F)c1	1116397671	XOPYROLNWURLTK-UHFFFAOYSA-N	313.239	1.412	50	20	DDGD	
C[C@@H](C[S@](C)=O)NC(=O)NNc1cccc(F)c1Cl	875485947	SWSRQTMAOKOXIT-IIYDVTGLSA-N	307.778	1.872	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H](C)C(=O)N(C)OC)cc1	875908265	ZRYAEYDMKPVNJG-SNVBAGLBSA-N	310.354	1.120	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2sc(N)nc2C)oc1C	874122963	IFMNVXATMUQMOM-UHFFFAOYSA-N	322.346	1.486	50	20	DDGD	
CON(C)C(=O)[C@@H](C)NC(=O)NNc1cc(F)c(F)c(F)c1	875908766	ASZBOTYNVFJSMU-ZCFIWIBFSA-N	320.271	1.138	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(C(=O)OC)sc1C	879856835	SVEPENJYDQJMGK-UHFFFAOYSA-N	301.368	1.458	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)n1	875447396	PTIZCXAFHKRLDF-WFASDCNBSA-N	306.366	1.354	50	20	DDGD	
CCC(C)(C)NC(=S)NNC(=O)COc1ccccc1F	774140387	SSQHWQQISKMUSC-UHFFFAOYSA-N	313.398	1.888	50	20	DDGD	
CCC1(O)CCC(NC(=O)NNC(=O)Cc2ccncc2)CC1	772082341	OSKGGNNETROSDM-UHFFFAOYSA-N	320.393	1.038	50	20	DDGD	
C=CC[C@H](NC(=O)NNC(=O)C1CCOCC1)c1ccncc1	883420396	KHFCHNLNKITUSL-AWEZNQCLSA-N	318.377	1.456	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)CCCCC(=O)NC)c1ccccc1	779779430	YDCHFBRVOSDCHF-CQSZACIVSA-N	319.405	1.634	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)C2CCOCC2)c1	883060819	YQPKUCZZFKMWQB-UHFFFAOYSA-N	306.362	1.202	50	20	DDGD	
CN([C@H]1CCCc2c1cnn2C)S(=O)(=O)CCCCl	882008339	SNZUPQKRQMQSGI-LBPRGKRZSA-N	305.831	1.688	50	20	DDGD	
Cn1nccc1COCC(=O)NNc1cccc2cnccc12	786425602	FVFKZNGSFRPCDW-UHFFFAOYSA-N	311.345	1.628	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNC(=O)C(C)C)c(C)cc1C	788316264	WTZWVCUAAUNDPD-UHFFFAOYSA-N	307.350	1.899	50	20	DDGD	
O=C(C[C@H]1OCCc2ccccc21)NNC(=O)C1CCOCC1	883063531	RWQAMHWLICVWFB-OAHLLOKOSA-N	318.373	1.265	50	20	DDGD	
COc1ccc([C@H](C)CC(=O)NNC(=O)C2CCOCC2)cc1	883064494	FHLOOINCUSZYAR-GFCCVEGCSA-N	320.389	1.763	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccco1)c1c[nH]c2ccccc12	783526906	RKPSFMADIBNYSY-UHFFFAOYSA-N	305.315	1.384	50	20	DDGD	
CC(C)(C)CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CC1	787151333	BBSQFIFLBCVGJL-LLVKDONJSA-N	300.424	1.740	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1CCCN(CC(F)(F)F)C1	887141823	KGUQNGOXBKZDJX-NSHDSACASA-N	319.327	1.212	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cc(F)cc(N2CCOCC2)c1	782565886	CYAYQRJLZBNZAN-UHFFFAOYSA-N	324.356	1.471	50	20	DDGD	
COc1ccc(NNC(=O)/C=C/c2ccc(O)c(O)c2)nc1	781530599	GQVOORMYAHDFJF-XVNBXDOJSA-N	301.302	1.658	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=C1CCC12CCCC2	788708066	DJEAVVFTNYTCJO-UHFFFAOYSA-N	306.391	1.840	50	20	DDGD	
C#CCN1CCC[C@H](NC(=O)NNc2c(C)cccc2F)C1	890366937	FSMWEGKSDOYDRL-ZDUSSCGKSA-N	304.369	1.858	50	20	DDGD	
C[C@H](OCc1ccncc1)C(=O)NNC(=S)NC(C)(C)C	899997183	KGTMDJDGABBTFZ-JTQLQIEISA-N	310.423	1.281	50	20	DDGD	
C[C@H]1CCc2[nH]nc(C(=O)NNc3ccnc(N(C)C)n3)c2C1	896508140	NSQUQKKFABHIHC-VIFPVBQESA-N	315.381	1.147	50	20	DDGD	
C=C(C)CN(Cc1ccc(CO)o1)[C@H](C)C(=O)NNC(=O)CC	796384786	YIZNOGIONNSEOW-GFCCVEGCSA-N	323.393	1.096	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1CC(c2ccc(C)cc2)=NO1	899939567	UEQGJMWBLGOXNN-ZDUSSCGKSA-N	318.402	1.169	50	20	DDGD	
Cc1oc(C#N)cc1C(=O)NNC(=O)CCc1ccccc1O	798109983	VXCARLSQHAWJHB-UHFFFAOYSA-N	313.313	1.559	50	20	DDGD	
CC[C@@H](C)n1nc(C(=O)NNC(=O)c2cccc(C)n2)cc1C	794080423	QRJQIFINELEODX-LLVKDONJSA-N	315.377	1.941	50	20	DDGD	
CO[C@H]1CCOc2c(NC(=O)NNC(=O)C(C)C)cccc21	790578592	CSAKRNJJXDWBCS-LBPRGKRZSA-N	307.350	1.965	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@@H](N2CCCC2)C[C@@H]1C	796431914	YTQLNVDBLVIJJB-KKUMJFAQSA-N	324.469	1.127	50	20	DDGD	
CC(=NNC(=O)Cc1nc2ccccc2n1C)c1cc(C)n(C)n1	799870040	UHIUUIRHGUQFEQ-UHFFFAOYSA-N	324.388	1.698	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2ncc(C3OCCO3)s2)n1	794563984	CRZVFCVLOQQWKT-UHFFFAOYSA-N	318.358	1.656	50	20	DDGD	
O=C(COc1ccccc1O)NNc1cccc(F)c1[N+](=O)[O-]	791148452	ZOFIKSXGRRAVKO-UHFFFAOYSA-N	321.264	1.962	50	20	DDGD	
CCCC[C@H](SCC(=O)NNC(=O)C(C)(C)C)C(=O)OC	794448676	GIWHGUMLCOPGJV-JTQLQIEISA-N	318.439	1.645	50	20	DDGD	
CCOc1cccc(C(=O)NNc2nncc(N)c2Cl)c1	1319240155	DQQSOCXRJVAUBU-UHFFFAOYSA-N	307.741	1.868	50	20	DDGD	
O=C(NNc1cccnn1)c1cnc(S)n1-c1ccccc1	1320053744	LVQVXZDFWOAIQA-UHFFFAOYSA-N	312.358	1.708	50	20	DDGD	
CO[C@@](C)(CNS(=O)(=O)CCl)COCc1ccccc1	702766892	XHRSHXHAMDSCNC-ZDUSSCGKSA-N	321.826	1.724	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CCCc1ccccc1)[C@@H]1CCC(=O)N1	1329224851	KAIIZAZMYILVOY-OCCSQVGLSA-N	317.389	1.071	50	20	DDGD	
CC(=NNC(=O)CCO)c1ccc(O)c(Br)c1	1326446961	QUKUWYQLNZVOPK-UHFFFAOYSA-N	301.140	1.377	50	20	DDGD	
Cc1ccc2[nH]c(C(=O)NNC(=O)C(C)(C)O)c(Cl)c2c1	1324684109	HAOJVAGMMJLTOC-UHFFFAOYSA-N	309.753	1.662	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)C(=O)c2c(C)nn(C)c2C)n1	1326064849	PSDDJIURFMWGLM-UHFFFAOYSA-N	322.756	1.115	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1c(C)nc2sccn12	1332321106	YFWXYLOSTPCSIT-QWRGUYRKSA-N	306.391	1.969	50	20	DDGD	
C[C@@]1(Cn2nnnc2N2C3CCC2CC3)C[C@@H]1Br	1334657367	LNQMCGHLGQRLCV-GZJRGEOXSA-N	312.215	1.978	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H]2CCC[C@H]2OC)c(OC)c1	1335791030	XHXDZJWXCXJAMK-WCQYABFASA-N	322.361	1.280	50	20	DDGD	
Cc1cc(COCC(=O)NC[C@]2(C)C[C@H]2Br)no1	1337300602	SCOCZCOPFFNXHW-PWSUYJOCSA-N	317.183	1.789	50	20	DDGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1ccc[n+]([O-])c1	1252815256	BZEYBXWBGYLPKN-UHFFFAOYSA-N	304.253	1.552	50	20	DDGD	
O=C(NNc1cncc(Br)c1)[C@@H]1CCCOC1	1335988824	MALPNFPJGHOELZ-MRVPVSSYSA-N	300.156	1.714	50	20	DDGD	
Cc1c(C#N)cccc1C(=O)NNc1nc(O)c2cnn(C)c2n1	1340016732	OXEFGZNNSICTMM-UHFFFAOYSA-N	323.316	1.006	50	20	DDGD	
CC(C)CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)C1CCC1	1346484574	XWLQAHKOYGNCCV-ZDUSSCGKSA-N	309.410	1.361	50	20	DDGD	
COc1nc(Cl)c(C=NNC(=O)NCC(F)(F)F)n1C	1347634253	JEWLZFPUVYNIPL-UHFFFAOYSA-N	313.667	1.278	50	20	DDGD	
CC(C)CC[C@H]1CCC[C@H]1NC(=O)NNC(=O)C1CCNCC1	1345140394	FMPCHCXDHDYIQX-UKRRQHHQSA-N	324.469	1.921	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H](C)Cc2cnn(C)c2)cc1	1344531327	DNFSNKJBILRYND-NSHDSACASA-N	316.361	1.069	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1CC[C@@H]2C[C@@H](C)CN2C1	1348737901	NXYYYXYQAREHDM-IJLUTSLNSA-N	305.382	1.049	50	20	DDGD	
CC(C)CN1CCC[C@@H]1C(=O)NNC(=S)N[C@@H](C)C1CC1	1358367698	IAMHGSBQECMIAO-WCQYABFASA-N	312.483	1.401	50	20	DDGD	
CS/C=C/C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1609370896	YLSKBTYUFBXLHJ-SNAWJCMRSA-N	310.770	1.840	50	20	DDGD	
Cc1cc(C=NNC(=O)CNc2ccccc2F)[nH]c1C(=O)O	1607633323	KZDGBFQVDZMPQM-UHFFFAOYSA-N	318.308	1.723	50	20	DDGD	
C[C@H]1CC[C@H](NC(=O)NNc2ccc(-c3nn[nH]n3)cn2)C1	1603881756	TXEYRSQKILBAAS-WPRPVWTQSA-N	302.342	1.076	50	20	DDGD	
O=C(O)CC1(CC(=O)NNC(=O)NCc2ccco2)CCCC1	1601913413	GNPYXJZMRYWRGC-UHFFFAOYSA-N	323.349	1.535	50	20	DDGD	
Cc1nnc(CNC(=O)NNc2cccc(C(=O)O)c2)s1	1608016065	HRXVVZRBJUDNEU-UHFFFAOYSA-N	307.335	1.371	50	20	DDGD	
Cc1oc(C(=O)O)cc1C(=O)NNc1cnnc2ccccc12	1600827600	MNGCFEZYBUHGQQ-UHFFFAOYSA-N	312.285	1.986	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNc1cccc(C(=O)O)c1	1601322880	DIFOJULWMDSMHZ-UHFFFAOYSA-N	319.342	1.319	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCC2(C(=O)O)CC2)cc(C#N)n1C	1607525391	VVHGYWKHKQAFPF-LFYBBSHMSA-N	312.329	1.093	50	20	DDGD	
O=C(O)CCNC(=O)[C@]1(c2ccccc2)C[C@H]1Br	1602015633	BWVJVVIARGCEDJ-MFKMUULPSA-N	312.163	1.683	50	20	DDGD	
CCC(CC)(C(=O)O)C(=O)NNC(=O)CNc1ccccc1	1603525996	PDRXQQYVQBJFHW-UHFFFAOYSA-N	307.350	1.137	50	20	DDGD	
O=C(NNC(=O)c1csc(C(=O)O)n1)Nc1ccccc1	1608479698	UGYGTUQZTIHJCH-UHFFFAOYSA-N	306.303	1.308	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2c(F)ccc(F)c2F)nc1	1602383656	VWDULXDUHSNVHT-UHFFFAOYSA-N	311.219	1.954	50	20	DDGD	
CN[C@@H](CC(C)C)C(=O)NNC(=O)c1c(C)nc2ccccn12	1578754570	RLTYTFIWKWXVGC-LBPRGKRZSA-N	317.393	1.038	50	20	DDGD	
C[C@H](NC1CC1)C(=O)NNC(=S)Nc1cccc(Cl)c1	1576238068	DNQIOPYTVNHBNG-QMMMGPOBSA-N	312.826	1.798	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@H]1Cc2cc(F)ccc2O1	1574820486	QRUUXKWIPQTCNT-GFCCVEGCSA-N	317.276	1.366	50	20	DDGD	
CC(C)(C)OC(=O)c1cccnc1NNC(=O)[C@H]1CCCN1	1573468753	RSQDVFXDZACKKS-LLVKDONJSA-N	306.366	1.232	50	20	DDGD	
CC(=NNC(=O)[C@@]1(C)CCCO1)c1ccccc1-c1nn[nH]n1	1588772166	LTYAPOMWKKJYEN-OAHLLOKOSA-N	314.349	1.276	50	20	DDGD	
NCc1ncc(C(=O)NNc2cc(F)cc(F)c2F)s1	1580354741	DQXFBZXKBWRWBL-UHFFFAOYSA-N	302.281	1.776	50	20	DDGD	
C[C@@H]1CCc2nc(C(=O)NNc3ncccc3C(=O)O)cn2C1	1589363940	NTDIZNGSCHYVMO-SECBINFHSA-N	315.333	1.316	50	20	DDGD	
CCOCC(=O)N1CCCC12CN(C(=O)[C@@H](Cl)CC)C2	1842693996	YQXLISKBTHYJIP-NSHDSACASA-N	302.802	1.244	50	20	DDGD	
C[C@@H](CC(=O)O)CC(=O)NNc1ncc(Br)cn1	1592392025	UWLGYGFCAHAHQZ-ZCFIWIBFSA-N	317.143	1.183	50	20	DDGD	
CCn1cc(CNC(=O)NNc2cccc(C(=O)O)c2F)cn1	1597889447	BRBUXWNPIYDNGN-UHFFFAOYSA-N	321.312	1.567	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2ncccc2C(=O)O)c2ccccc21	1595285652	OVMVQMCIPMXPJZ-GFCCVEGCSA-N	311.297	1.593	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)c1cc(-c2nn[nH]n2)c[nH]1	1593161095	IZPKWIGSKKTLTN-UHFFFAOYSA-N	305.248	1.230	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)c1ccc(-c2nn[nH]n2)cn1	1593161531	ZEVIOKTYZSEOEC-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
CC[C@@](C)(CNC(=O)NNc1ccc(C(=O)O)c(F)c1)OC	1594836025	ZAEKKXPNFNYIEI-AWEZNQCLSA-N	313.329	1.965	50	20	DDGD	
O=C(NNC(=O)[C@@H](C(=O)O)C1CC1)c1ccc(Cl)cc1F	1594778999	HUKGVAMMKMGBHT-JTQLQIEISA-N	314.700	1.351	50	20	DDGD	
CN(C)[C@H]1CCC[C@H](NC(=O)NNc2cccc(C(=O)O)c2)C1	1598191385	OZSBTILVXGVMIA-JSGCOSHPSA-N	320.393	1.884	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CCO[C@@H]2C)ccc1C(=O)O	1776082542	XCIDIYULKFRBBQ-KOLCDFICSA-N	306.318	1.269	50	20	DDGD	
CC(C)[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl	1796804577	LZIDWWICVPHFFH-ROHXPCBUSA-N	320.792	1.176	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl)[C@H](F)Cl	1796808775	LBOCFGXWHIQHDH-BGKGJTHRSA-N	315.147	1.693	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=S)NC(C)(C)C)cc1	14894673	RLSPLRZSABFZFD-UHFFFAOYSA-N	308.407	1.552	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1ccc(F)cc1	17359662	KYBTVUSFSHUBQL-UHFFFAOYSA-N	302.305	1.925	50	20	DDGD	
Cc1nc(N(C)C)sc1C(=O)NNC(=O)NCc1ccco1	162813494	OVMRJMOPBHNELM-UHFFFAOYSA-N	323.378	1.255	50	20	DDGD	
O=S(=O)(CBr)NC[C@@H]1CSCCS1	163934464	JELRWPKXEZQNIF-ZCFIWIBFSA-N	306.272	1.107	50	20	DDGD	
Cc1c(C(=O)NNC(=O)Cc2ccc(Cl)cc2)cnn1C	10405226	UDBUUXYBRJSWSV-UHFFFAOYSA-N	306.753	1.386	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnn(-c2ccccc2F)c1	57559202	UAYMAXJAXPWLCL-UHFFFAOYSA-N	319.365	1.306	50	20	DDGD	
NC(=O)N1CCC[C@H]1C(=O)NNc1ccccc1C(F)(F)F	175975197	VWQUEQZKLMADPK-JTQLQIEISA-N	316.283	1.692	50	20	DDGD	
O=C(CCc1nnc[nH]1)NNc1ccc(Br)cc1	176359601	GOTRWGNUSMHVFR-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
O=C(COC1CCCCC1)NNc1nc(-c2ccncc2)no1	102185923	MCBMRDOZXVODQW-UHFFFAOYSA-N	317.349	1.924	50	20	DDGD	
Cn1cc(CCC(=O)NNc2ccc(C(C)(C)C)nn2)cn1	118523957	YMVDVVARHANODJ-UHFFFAOYSA-N	302.382	1.584	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C	55617651	GBZRWKGRBHKLOJ-QMMMGPOBSA-N	315.351	1.259	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Cc1ccc(OCC#N)cc1	111606916	JBGWWNFANSXLPN-UHFFFAOYSA-N	303.362	1.715	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)c1c[nH]nc1C)c1ccc(F)cc1	109996046	HGXWLCCLQALEQX-CLFYSBASSA-N	302.309	1.722	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNC(=O)c1ccccc1OC	67439649	QQBNQULSIXAKLD-CYBMUJFWSA-N	305.378	1.331	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NC[C@H]1CCc2ccccc21	176349411	HMYPPYJLLDRFEZ-OAHLLOKOSA-N	324.384	1.685	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)NNc1ncccc1Cl	114883479	YCHLZODDMQBDJT-UHFFFAOYSA-N	305.787	1.249	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cccn1C)c1ccc(OC)cc1	179593452	WOIUUOUXLKJSGX-AWEZNQCLSA-N	315.373	1.989	50	20	DDGD	
O=C(NNc1cnccn1)c1nn(-c2ccccc2F)cc1O	114880374	XDBWSJMWQVKYLM-UHFFFAOYSA-N	314.280	1.264	50	20	DDGD	
O=C(CSc1nc2ccccc2s1)NNC(=O)NC1CC1	64428123	WAQLIIPNGPNXDS-UHFFFAOYSA-N	322.415	1.881	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2ccc(C)nn2)C12CCC2	175662259	ACVANJLUHNRQMQ-NWDGAFQWSA-N	305.382	1.759	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2CCCOC2)cc1	170796353	PTSAIKAPISSWHA-CYBMUJFWSA-N	306.362	1.202	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)CCC2CCOCC2)c1	173058949	MSJLFKGBBZLQQF-UHFFFAOYSA-N	320.389	1.728	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1csc(-c2ccco2)n1	65205858	HJUXNDZIUBWCEL-UHFFFAOYSA-N	324.362	1.384	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H]2CCOC2)c1C	66895449	XYQSATXQRDSRJP-OLZOCXBDSA-N	306.362	1.255	50	20	DDGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)[C@H]1COCCO1	178468344	HEHGCLFIPFXBHO-LLVKDONJSA-N	320.267	1.486	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cc(F)c(F)cc1F	129985552	OABWKEMMVBBNHB-UHFFFAOYSA-N	309.247	1.503	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2CCC[C@H](C)CC2)n1	63308517	KSZNZNIPHZVQGQ-NSHDSACASA-N	324.450	1.263	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1cc(C#N)ccc1Cl	186947635	ADZVJTRCTWGXLI-UHFFFAOYSA-N	315.782	1.567	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@@H]1CCN(C2CCCCC2)C1=O	123206632	XSDIEUUAHAYQRG-GFCCVEGCSA-N	324.425	1.297	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)C(=O)NNc1ccc(C#N)c(Cl)c1	182410735	UEUIZYDLVDXILR-QMMMGPOBSA-N	315.782	1.335	50	20	DDGD	
COc1cccc(NNC(=O)CCC(=O)NC2CCCC2)n1	180671484	SDRYRKBLVNHQCO-UHFFFAOYSA-N	306.366	1.372	50	20	DDGD	
O=C(NNc1ncccn1)Nc1cccc(OCC(F)F)n1	128924026	ZCEXYTOZENTBKQ-UHFFFAOYSA-N	310.264	1.664	50	20	DDGD	
C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)S(=O)(=O)CCCCCl	154204621	JUVWKBNVOHCLGV-VHSXEESVSA-N	319.876	1.089	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)CCc1cc(Cl)cs1	76559799	KCNYVNUOKVCPQR-UHFFFAOYSA-N	317.798	1.006	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](C)c1ccccc1	184310047	MZKVBTWSSFBUDL-LLVKDONJSA-N	305.378	1.242	50	20	DDGD	
CSCCCCCNC(=O)NNC(=O)Cc1cccnc1	187802002	DWFMKROPHAVTHV-UHFFFAOYSA-N	310.423	1.488	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)C1CCCCCC1	72077138	GFXRUBHHVQTTTC-OAHLLOKOSA-N	318.373	1.944	50	20	DDGD	
Cc1nnc(O)c(C(=O)NNC(=O)c2ccc(Cl)cc2)c1C	75483948	BCJGXBWAVUAGCW-UHFFFAOYSA-N	320.736	1.527	50	20	DDGD	
CCN1CCO[C@H](C(=O)NNc2ccc3ccccc3n2)C1	181088927	UKHIJUAQUXYOBQ-AWEZNQCLSA-N	300.362	1.399	50	20	DDGD	
O=C1COc2ccc(C(=O)NNc3ccnc(F)c3)cc2N1	182510240	FDOMYRUJVPDQEX-UHFFFAOYSA-N	302.265	1.309	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2nnc(C(C)(C)C)s2)[nH]n1	184514775	QNWHMFQAWYJUPJ-UHFFFAOYSA-N	323.382	1.334	50	20	DDGD	
COCCC1(C(=O)NNC(=O)NCc2ccco2)CCCC1	132796514	ZLLVXVUXGZKJLT-UHFFFAOYSA-N	309.366	1.707	50	20	DDGD	
CCc1nnsc1C(=O)NNC(=O)c1ccc(Cl)nc1	48601543	NZVCGYDKZXKFIX-UHFFFAOYSA-N	311.754	1.224	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)c2ccncc2)cc1F	194765148	WZZPAUDQOCVBPM-UHFFFAOYSA-N	303.293	1.233	50	20	DDGD	
C[C@@H]1CCCN(CCNC(=O)NNc2cccc(C#N)c2)C1	46392053	DJMUIZRFQXCQEM-CYBMUJFWSA-N	301.394	1.916	50	20	DDGD	
O=C(CCc1ccncc1)NNC(=O)c1ccc(Cl)nc1	80122369	UPSJMTXOVBNMKC-UHFFFAOYSA-N	304.737	1.524	50	20	DDGD	
O=C(CCc1nnc[nH]1)NNc1cccc(C(F)(F)F)n1	133759051	BJHMTLVWIJWEHL-UHFFFAOYSA-N	300.244	1.294	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cnc(C(C)C)s2)n1	133007417	HNBNZUANUBYBDW-UHFFFAOYSA-N	321.406	1.541	50	20	DDGD	
COCCn1ccc(C(=O)NNc2ccc3ccccc3n2)n1	190430883	DJPDXCBRUCURBG-UHFFFAOYSA-N	311.345	1.835	50	20	DDGD	
O=C(NNC(=O)c1cc(Br)c[nH]1)Nc1ccncc1	48954336	ICILZPUXWPJOPA-UHFFFAOYSA-N	324.138	1.639	50	20	DDGD	
CCCCC[C@@H](C)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	42994871	NCVNJJCISZKCPX-YPMHNXCESA-N	305.444	1.336	50	20	DDGD	
COc1ccc(-c2n[nH]cc2C(=O)NNC(=O)C2CCC2)cc1	266385238	VCMCTRMLDDBNRA-UHFFFAOYSA-N	314.345	1.646	50	20	DDGD	
CCNC(=O)CCCC(=O)NNc1cccc([N+](=O)[O-])c1C	269603463	LJIWYCNRKLTFIF-UHFFFAOYSA-N	308.338	1.653	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCC(F)(F)F)c1ccccc1	264666153	OMKRYZMTIFTTHB-UHFFFAOYSA-N	303.284	1.857	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCc1cnn(C)c1	266853445	SCPWBBUEJGPLCA-UHFFFAOYSA-N	309.801	1.445	50	20	DDGD	
C=CCOCCCC(=O)NNC(=O)CNc1ccccc1OC	266516736	CFBRTAZBHCPHDL-UHFFFAOYSA-N	321.377	1.237	50	20	DDGD	
CC(=O)CCc1ccc(OCC(=O)NNC(=O)C2CCC2)cc1	264653044	BSJDIWHRQBMLQA-UHFFFAOYSA-N	318.373	1.535	50	20	DDGD	
O=C(NC[C@H]1CCC2(CCCCC2)O1)NNc1ncccn1	277322148	UONXQNDMAZTXHF-GFCCVEGCSA-N	305.382	1.985	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@]12CCOC2)c1ccc2ccccc2n1	368106301	CZGQQPJTAOZZJR-YVEFUNNKSA-N	311.341	1.422	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(C)cc1OCCOC	277021177	CNMHIGOVHXNUGJ-UHFFFAOYSA-N	324.381	1.718	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NOC[C@@H]1CCOC1)c1ccccc1	276268718	JRCBQBBRDUQZQO-TZMCWYRMSA-N	321.377	1.479	50	20	DDGD	
Cc1nc2ccnn2c(C)c1C(=O)NNC(=O)NC1CCCC1	270520189	QVPSRXIAXHNXLN-UHFFFAOYSA-N	316.365	1.233	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cc2c(cc1F)NC(=O)CC2	276285809	NFUJIOSAYHJBSA-UHFFFAOYSA-N	322.340	1.909	50	20	DDGD	
CC1(C)CCC[C@H](NC(=O)NNC(=O)Cc2ccncc2)C1	276863316	CWYOZKNFOFIXCV-ZDUSSCGKSA-N	304.394	1.923	50	20	DDGD	
Cc1cc(Cl)ccc1NC(=O)C(=O)NNC(=O)CC(C)C	274248872	ZFLGRKIPFVRLCT-UHFFFAOYSA-N	311.769	1.780	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNC(=O)c2cccc(C)n2)C1(C)C	279848873	STPUDZKHZBPUQY-OLZOCXBDSA-N	317.389	1.792	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N[C@@H]1CCCOCC1)c1ccccc1	272006508	SWRAXJFKJDSHQI-CQSZACIVSA-N	319.405	1.864	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)CCCc1ccccc1)C(C)C	282340586	UZYOMYVQLBSWDZ-OAHLLOKOSA-N	301.390	1.998	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CCCNC(=O)C1CC1	288828473	VMFQRYCKKXDVLQ-UHFFFAOYSA-N	320.349	1.653	50	20	DDGD	
CC(C)(C)C(=O)Cn1cc(C(=O)NNc2cccc(F)n2)nn1	286618236	QYHMXLNCAXQXJT-UHFFFAOYSA-N	320.328	1.184	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H](C)CN1CCOCC1	281254279	ONGCXLVDPGKXNK-ZDUSSCGKSA-N	320.393	1.116	50	20	DDGD	
C[C@@H]1CCCN([C@H](C)CNC(=O)NNc2ncccc2F)C1	286743431	OOUKSTMMJQTBIR-VXGBXAGGSA-N	309.389	1.967	50	20	DDGD	
C[C@H](C(=O)NN(C)C(N)=O)c1cccc(Br)c1	291943970	PQENUOIBVCRFSG-ZETCQYMHSA-N	300.156	1.594	50	20	DDGD	
CCSCc1cc(C(=O)NNC(=O)N=c2cc[nH]cc2)no1	802027737	VDILWNHEPUXHDW-UHFFFAOYSA-N	321.362	1.211	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(Br)cc1C#N	297248561	ZZYLSTWYWBTXPF-UHFFFAOYSA-N	312.167	1.544	50	20	DDGD	
CC(=O)N1CCC(NC(=O)NNc2cccc(Cl)n2)CC1	291987566	VWGCPAZKSNXFKF-UHFFFAOYSA-N	311.773	1.372	50	20	DDGD	
O=C(CCCNc1ccc([N+](=O)[O-])cc1)NNC(=O)CC1CC1	294094645	ITPNBAAEFFELSY-UHFFFAOYSA-N	320.349	1.734	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@H](F)C(F)(F)F)c1	809949122	ZMPVDLYXGIQOAG-VIFPVBQESA-N	324.230	1.365	50	20	DDGD	
CC(C)(C)n1ncnc1CNC(=O)NNc1ccc(F)cn1	800032680	PFSLEOSFBMLQIR-UHFFFAOYSA-N	307.333	1.394	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNc1ccccc1S(C)(=O)=O	802762997	PNMOWFXFRWRYSK-UHFFFAOYSA-N	307.375	1.738	50	20	DDGD	
COc1cnc2ccccc2c1C(=O)NNC(=O)NCC1CC1	801842881	WPICUAHACGRSGR-UHFFFAOYSA-N	314.345	1.597	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)Nc2nc(C)no2)c1	296780777	KDCSVIAHXUAUAU-UHFFFAOYSA-N	319.321	1.227	50	20	DDGD	
N#Cc1ccc(Cl)c(C(=O)NNC(=O)c2ccccc2O)c1	806344778	LWMVQULQQIAQJQ-UHFFFAOYSA-N	315.716	1.992	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2ncncc2F)c2ccccc21	817078373	BDQNTSQMHCDTNY-LLVKDONJSA-N	300.293	1.819	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NC[C@@H]1C[C@H]2C=C[C@H]1CC2	817171994	QCSFVKXIDABUGE-QEJZJMRPSA-N	314.389	1.557	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNC(=S)Nc1ccc(OCC)cc1	810022397	LDEXMZPHJQASHE-OAHLLOKOSA-N	323.418	1.730	50	20	DDGD	
C[C@@](O)(C(=O)NNc1nnc(-c2ccccn2)s1)C1CCC1	813531522	ATOQTXLNGYHTLH-AWEZNQCLSA-N	319.390	1.594	50	20	DDGD	
COCCC(COC)=NNC(=O)c1ccc(OC)c(OC)c1	812222165	LKQIQCUJWHQIRA-UHFFFAOYSA-N	310.350	1.473	50	20	DDGD	
CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)NN(C)C1CC1	819653217	KITBNROTSQQIHP-INIZCTEOSA-N	319.405	1.332	50	20	DDGD	
CCOc1ccc(NNC(=O)c2ccoc2CC(N)=O)cc1	817885827	OEJUGPTWRJKBLM-UHFFFAOYSA-N	303.318	1.463	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	812534950	QSXFOYXQMIRKKB-ZJUUUORDSA-N	311.338	1.965	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)c1c[nH]nc1C	814859568	UAWQVXKBMXSECH-UHFFFAOYSA-N	301.306	1.962	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2nccs2)cc1C	814769098	SQZJFEJTZSWJOY-UHFFFAOYSA-N	302.359	1.849	50	20	DDGD	
COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)COc1ccc(F)cc1	812529519	AWVGOJBZBUOSQW-GHMZBOCLSA-N	312.341	1.271	50	20	DDGD	
COc1ccc(OC)c(NC(=S)NNC(=O)NC2CC2)c1	726479801	JEFJRYLVBNXZTB-UHFFFAOYSA-N	310.379	1.367	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)O[C@@H](C(N)=O)C(C)C)cc1	725914079	QCHIWMUZNGEMQG-ICDLMJIXSA-N	302.330	1.655	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C/c1ccc(F)c(-c2nn[nH]n2)c1	826379300	ODZXBWPUVPFNHJ-YCRREMRBSA-N	306.264	1.173	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(C)c(OCC(=O)OC)c(C)c1	493008904	KKSPCXGDGKVGRL-UHFFFAOYSA-N	324.333	1.246	50	20	DDGD	
CC(C)Oc1ncc(C(=O)NN(C)[C@H](C)CO)cc1Cl	823970745	KBMNGOUMKZNFOE-SECBINFHSA-N	301.774	1.480	50	20	DDGD	
CC(C)OC(=O)CCNC(=O)/C(C#N)=C\c1ccc(O)cc1	491174264	GWYOJVSCWAGFEK-LCYFTJDESA-N	302.330	1.757	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1	495448083	LSESAWUTGJVVFI-UHFFFAOYSA-N	307.350	1.463	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)Cc1cccc(Br)c1	823965641	QZXIMAZPHSBSRH-VIFPVBQESA-N	301.184	1.335	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CC[C@@H](OC(C)C)C1	825551658	NFSHKDMUINVSJW-CYBMUJFWSA-N	305.378	1.849	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1ccc2nn[nH]c2c1	728079109	LLEUOPFKLWEZCJ-UHFFFAOYSA-N	322.288	1.160	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)N(C)C)c(Cl)c1OC	822854693	SPRZSINUTKIVGZ-UHFFFAOYSA-N	315.757	1.202	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1ccccc1C(=O)OC	494743022	UYQGLAYJOVHDQN-UHFFFAOYSA-N	309.322	1.053	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@@H]2C[C@H]2CC(C)C)c1	824044741	WLZRIDJEZHQCPT-IUODEOHRSA-N	319.405	1.937	50	20	DDGD	
Cc1ccc(Cl)c(O[C@H](C)C(=O)NN(C)[C@@H](C)CO)c1	823971218	QSFJASFNBMMRRT-WDEREUQCSA-N	300.786	1.760	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1nc(-c2ccccc2)ns1	726871148	BEFBGSUZWAMEBA-UHFFFAOYSA-N	303.347	1.768	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@]1(Cl)C[C@H]2CC[C@H]1O2	907221188	PZFARHKWGWBKNN-BCQZVRRWSA-N	324.764	1.845	50	20	DDGD	
CN(Cc1ccc(C(=O)NC2CC2)cc1)S(=O)(=O)CCl	829892604	GHWGGDHLZZFTRX-UHFFFAOYSA-N	316.810	1.537	50	20	DDGD	
CC(C)CC1CCN(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CC1	827290654	XTBJATPGBZUFBB-GXTWGEPZSA-N	311.426	1.910	50	20	DDGD	
COC(=O)COc1ccccc1C=NNC(=O)CC(F)(F)F	901170435	NIKRQCKARHYZBB-UHFFFAOYSA-N	318.251	1.641	50	20	DDGD	
COCC[C@@H](NC(=O)[C@H](Br)C(C)(C)C)C(=O)O	909626376	SVMPAPCTYYNTTE-SFYZADRCSA-N	310.188	1.402	50	20	DDGD	
CCCCNC(=O)NNC(=O)/C=C\CN(C)CC(F)(F)F	493518555	IIEQRAZLDIICOI-WAYWQWQTSA-N	310.320	1.167	50	20	DDGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)[C@H]1C[C@H]1C(=O)O	739545951	CHQKLBQGNDKCJJ-DTWKUNHWSA-N	313.766	1.378	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@H]1CSCCS1	826448536	ZBRJKMXRVKLNBK-SNVBAGLBSA-N	322.419	1.158	50	20	DDGD	
CC1(C)CN(C(=O)c2cccc(B(O)O)c2)Cc2ccccc21	584968486	XXHXMHANNCVOOM-UHFFFAOYSA-N	309.174	1.300	50	20	DDGD	
C[C@@H]1CC(c2nc(-c3ccc(B(O)O)cc3)no2)C[C@@H](C)O1	585050894	OZYYPIVYZVRBKW-NXEZZACHSA-N	302.139	1.087	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cccc(Br)c1F	495824751	YLGNRVGHMPSOIT-UHFFFAOYSA-N	305.103	1.931	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CCCCN1C	731867169	XWPZREICDUGYPO-WCQYABFASA-N	323.368	1.225	50	20	DDGD	
CC[C@H](C)[C@@H](NNC(=O)CCOc1ccccc1)C(=O)OC	905754862	IANMEYDKPFSQKM-SWLSCSKDSA-N	308.378	1.664	50	20	DDGD	
COc1ccc(NCc2cccc(B(O)O)c2)cc1OC(C)C	585034359	IJVSDYDCPHHLPR-UHFFFAOYSA-N	315.178	1.774	50	20	DDGD	
Cc1cc(C)cc(C[C@@H](C)NC(=O)c2cccc(B(O)O)c2)c1	584953447	VDZSMWAKKJSGSH-CQSZACIVSA-N	311.190	1.344	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCC[C@H]2CN2CCCC2)cn1	491174178	GMVVWAQVZWVWPW-LRQZKABGSA-N	313.405	1.414	50	20	DDGD	
Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(B(O)O)cc2)s1	584945382	ZFMJZKLLPLBXPZ-SNVBAGLBSA-N	318.207	1.273	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1cnn2ccccc12	731978640	YVXJHVHGILSDJP-UHFFFAOYSA-N	324.340	1.347	50	20	DDGD	
C[C@H]1C[C@@H]1c1ccc(CNCc2ccc(B(O)O)cc2F)o1	585017360	VKPXYAMPUJTYEK-HZMBPMFUSA-N	303.142	1.512	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)CNc2ccccc2OC)n1	834920322	JDJBUXUCYRFCJQ-UHFFFAOYSA-N	316.365	1.177	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccnn1-c1ccccn1	836698213	ZWHPXHBIEJTRIQ-UHFFFAOYSA-N	302.338	1.466	50	20	DDGD	
NC(=O)C1(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)CC1	731599721	MAWCFKIINVVBAL-UHFFFAOYSA-N	321.402	1.044	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)NCC(F)(F)F)c1C1CC1	907966565	DGSBFSDJJXZLRT-UHFFFAOYSA-N	319.287	1.287	50	20	DDGD	
O=C(O)COc1ccc(C=NNC(=O)[C@@H]2CCCCO2)cc1	834988003	FDSJYLFOOLPINQ-ZDUSSCGKSA-N	306.318	1.169	50	20	DDGD	
O=C(CCCc1nc(C2CC2)no1)NNC(=O)c1ccccn1	739676077	NIQBJDYAKOAQKH-UHFFFAOYSA-N	315.333	1.126	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CCCC(=O)N2C)c1F	909360992	IDSULPIPRKBIKU-NSHDSACASA-N	323.324	1.066	50	20	DDGD	
C[C@@H]1C[C@@H](C)CN(CCCCNC(=O)NNC(=O)C2CCC2)C1	732240746	IZTCZMHDWICGLK-ZIAGYGMSSA-N	324.469	1.875	50	20	DDGD	
C[C@@H]1CCCC[C@H]1OCC(=O)NNc1ccc(C(=O)O)cn1	833611121	HVBDIIAVTFNGDM-ZYHUDNBSSA-N	307.350	1.818	50	20	DDGD	
CCO[C@@H]1COC[C@H]1NC(=O)NNc1ccc(Cl)nc1	838718999	IRUSBTHADFICJN-NXEZZACHSA-N	300.746	1.165	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)NOC2CCC2)c1	836566554	VHQZSJCURUVBTP-UHFFFAOYSA-N	309.322	1.132	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(S)n1)c1cncs1	734746613	OIPUCQFNJHONKP-UHFFFAOYSA-N	309.376	1.010	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1sc(C(C)(C)C)nc1C	833384650	LDNWWDBERUEDQM-UHFFFAOYSA-N	312.395	1.857	50	20	DDGD	
C[C@@H]1C[C@H](CCNC(=O)NNC(=O)[C@@H]2CCCCO2)CCO1	836395640	WGZMVZQOXIQXHJ-UPJWGTAASA-N	313.398	1.091	50	20	DDGD	
C[C@@H](CCc1ccc(F)c(F)c1)NCc1ccc(B(O)O)cc1	585023352	GKEAQPGXPZIRIT-LBPRGKRZSA-N	319.160	1.756	50	20	DDGD	
CC[C@H](O)[C@H]1CCCCN1[C@H](C)C(=O)NNC(=O)CC(C)C	733997172	NRUXEMHHOKRTKK-MCIONIFRSA-N	313.442	1.194	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1cccc(O)c1)[C@@H]1CCCCO1	839781245	LATWWUAIECRTFR-MJBXVCDLSA-N	304.346	1.212	50	20	DDGD	
C[C@@H]1CC=C(C(=O)OCC(=O)NNC(=O)c2cccs2)CC1	838346857	HSZFMQUKYMNCNF-SNVBAGLBSA-N	322.386	1.799	50	20	DDGD	
Cc1cc(Cl)ncc1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	831566074	JEQUASUOCNINJM-BDAKNGLRSA-N	312.757	1.621	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1O)c1cc(C2CC2)[nH]n1	918359223	QPKCKSIYWIMVHA-UHFFFAOYSA-N	320.736	1.721	50	20	DDGD	
COC(=O)c1cc(OC(=O)c2ccn(C)n2)ccc1[N+](=O)[O-]	732652631	JWVBZAMLAJHKBK-UHFFFAOYSA-N	305.246	1.334	50	20	DDGD	
CC(C)C[C@@H]1C[C@H]1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	832893824	CCINVOOFUUQISQ-JHJVBQTASA-N	302.440	1.161	50	20	DDGD	
C[C@H]1CC(=NNC(=O)C(=O)NC2CC2)c2ccsc2S1	743432388	LFJGREHZYOXQPC-ZETCQYMHSA-N	309.416	1.731	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)COC2(C)CCC2)c1O	746292691	AHKCYKYKQVXPBJ-UHFFFAOYSA-N	308.334	1.121	50	20	DDGD	
COc1ccc(O[C@@H](C)CNC(=O)NNC(=O)C(C)(C)C)cc1	743597971	GRVISKREKVBRTA-NSHDSACASA-N	323.393	1.839	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=S)Nc1ccc([N+](=O)[O-])cc1	843276587	DJVRIQMQMQDNJN-GZMMTYOYSA-N	324.362	1.337	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1ccc(Cl)cc1	843647398	YQOHVSRUYXQIDY-GWCFXTLKSA-N	310.781	1.845	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1ccc(C)cc1	916362712	NASHVYKGXURILU-CQSZACIVSA-N	303.406	1.804	50	20	DDGD	
CCn1nc(C)c(CNC(=O)[C@]2(C)C[C@@H]2Br)n1	911279888	QATRPSWHLOKGNS-GXSJLCMTSA-N	301.188	1.396	50	20	DDGD	
COC[C@@H](C)NC(=O)NNc1ncnc(Cl)c1C(C)C	840241532	SZHOBWFBSNBSKJ-MRVPVSSYSA-N	301.778	1.914	50	20	DDGD	
C[C@H]1CN(CCNS(=O)(=O)CCCCCl)[C@H](C)CO1	849429102	IWAVZAPNKWNNLW-NEPJUHHUSA-N	312.863	1.034	50	20	DDGD	
CNC(=O)NNC(=O)c1oc2ccc(CCC(C)=O)cc2c1C	919877716	QEVUTMGMXVLDMN-UHFFFAOYSA-N	317.345	1.837	50	20	DDGD	
CNC(=O)CCCC(=O)NNc1ncnc(Cl)c1C(C)C	840547444	ORZOLXFBOWDCDN-UHFFFAOYSA-N	313.789	1.613	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	843974412	KIVMZYJGKDCHLI-TZMCWYRMSA-N	318.373	1.530	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)NCCS(C)(=O)=O	916504482	ACUTXBLFKZTLBY-UHFFFAOYSA-N	305.787	1.319	50	20	DDGD	
O=C(NNC(=O)[C@H](c1ccccc1)n1cccn1)c1ccncc1	748697240	WIOAMIICTADVFN-HNNXBMFYSA-N	321.340	1.329	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)CC[C@H](N)C(C)C)cc1	843355253	XRXLRILAHVHOEM-HNNXBMFYSA-N	320.437	1.061	50	20	DDGD	
CCn1ccc(C(=O)NNC(=O)CCc2ccc(OC)cc2)n1	843536298	SWSJTFPGZPNKFC-UHFFFAOYSA-N	316.361	1.305	50	20	DDGD	
O=C(NCC1CC1)NNC(=S)N[C@@H]1CCc2ccccc2C1	742992120	IPSLLRLORDOJRI-CQSZACIVSA-N	318.446	1.632	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(F)c(Cl)cc1F	843659644	IHORWHVFPKKZAM-RNFRBKRXSA-N	318.707	1.804	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H](CC(C)C)OC)c(OC)c1	841109047	ITQWVGCNZPEOQF-AWEZNQCLSA-N	324.377	1.526	50	20	DDGD	
CCC(CC)(CO)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	848044450	JAGMZYXISRYGSR-UHFFFAOYSA-N	323.349	1.367	50	20	DDGD	
Cc1cccc2c1CCN(C(=O)NNC(=O)c1ncccn1)C2	841591339	CISPMBBYGZOCRN-UHFFFAOYSA-N	311.345	1.198	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)c2ncccn2)c(C)c1	841354008	JFHGQBNSMIHSKN-UHFFFAOYSA-N	314.345	1.324	50	20	DDGD	
COC(=O)c1ccccc1C=NNC(=O)NCc1ccco1	920830117	XYKLXPJLCYCYAI-UHFFFAOYSA-N	301.302	1.900	50	20	DDGD	
CCCNC(=O)/C(C#N)=C/c1cc2c(cc1[N+](=O)[O-])OCCO2	920387071	JXSZJFDXNAPXNK-IZZDOVSWSA-N	317.301	1.799	50	20	DDGD	
CC[C@]1(C)CCN(CC(=O)NNC(=O)Cc2nc(C)cs2)C1	758744859	CFLNMSINFYFABC-OAHLLOKOSA-N	324.450	1.263	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NCC[C@@H](N)C(C)C	851677953	LQJCQFDGGAIUTP-CQSZACIVSA-N	306.410	1.241	50	20	DDGD	
C=CCOc1cccc(NC(=O)NNC(=O)c2cnccn2)c1	756203555	FZXSHVTXABSMDI-UHFFFAOYSA-N	313.317	1.508	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)NC1CCCCC1)c1ccc(F)cc1	929246375	OEDKRRRLASXBBI-INIZCTEOSA-N	323.368	1.696	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)N1CCN(C)CC1)c1cccs1	857189363	CKFRSNMITSIZAO-KHPPLWFESA-N	308.407	1.140	50	20	DDGD	
COC(=O)CCCNC(=O)NC[C@@]1(C)C[C@@H]1Br	856830495	OJQKLRZFVLBMGG-GZMMTYOYSA-N	307.188	1.412	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)CCc1c(C)nc(O)nc1O	855365385	KEDARVNAHLNLBP-UHFFFAOYSA-N	320.324	1.720	50	20	DDGD	
CC(C)(CO)N1CCN(C[C@H](CBr)C2CC2)CC1	859192871	FQOPVXPKYSTYTA-ZDUSSCGKSA-N	319.287	1.796	50	20	DDGD	
COc1cccc(C(=O)NNc2oc(C(C)C)nc2C#N)n1	752519554	WXHHRBCEZNESIP-UHFFFAOYSA-N	301.306	1.830	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@@H]3NCC[C@H]3C2)C[C@@H]1Br	857105326	JNCGUMSTDRMLCG-MRBYEJRBSA-N	316.243	1.553	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCCC2)c1ccnnc1	756746212	RGVIGEDENBRPAM-UHFFFAOYSA-N	302.359	1.492	50	20	DDGD	
N#C[C@@]1(C(=O)NNC(=O)c2cccc(F)n2)CC12CCCC2	856427038	MUMWSGDNFANQNT-OAHLLOKOSA-N	302.309	1.456	50	20	DDGD	
CC1(O)CCN(C(=O)NC[C@]2(C)C[C@H]2Br)CC1	856897978	UZUNAGNYTZXGFJ-KOLCDFICSA-N	305.216	1.716	50	20	DDGD	
CCOCCn1cc(C(=O)NNc2ncc(Cl)cn2)cn1	857354067	MDTGIHMJEJGULX-UHFFFAOYSA-N	310.745	1.120	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1ccc(C)cc1O	758381995	VBQFIXDMFYVSIU-UHFFFAOYSA-N	312.329	1.575	50	20	DDGD	
CCC(=NNC(=O)c1cc[nH]n1)c1ccc(OC)c(OC)c1	853392040	CAVLMVLYRPCRGD-UHFFFAOYSA-N	302.334	1.971	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@H](C)OCCC(C)C	854281277	SMKNKVJPOLRBPP-LBPRGKRZSA-N	319.471	1.312	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CCCF)cc(OC)c1OC	854179164	QYYMSAZKTXWKLO-UHFFFAOYSA-N	314.313	1.223	50	20	DDGD	
CCC(=O)NNC(=O)Nc1nc(-c2ccc(F)cc2)ns1	758105016	SSNLABDALDIIRS-UHFFFAOYSA-N	309.326	1.907	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@@]2(C)CCOC2)cc1	754352316	ZRCXSPCKLWIELZ-HNNXBMFYSA-N	308.403	1.661	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cnc(CC(C)C)s1	930732984	DOPLMHUGKOZRTD-UHFFFAOYSA-N	314.411	1.322	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C2CC2)cc1	850036282	PGRQFSIVRRPGKR-SNVBAGLBSA-N	304.346	1.667	50	20	DDGD	
C[C@@]1(CNS(=O)(=O)c2ccccn2)C[C@@H]1Br	856752448	JIDBSEUCQVVIAI-WPRPVWTQSA-N	305.197	1.533	50	20	DDGD	
C[C@@H](CBr)CN1CCCC[C@H]1CS(N)(=O)=O	931229986	GZKPGWPRFLGROO-UWVGGRQHSA-N	313.261	1.160	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)c1cc2occc2[nH]1	750828436	WDJQXINBMSTFPL-UHFFFAOYSA-N	317.276	1.740	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2	755078631	PPOSPGDGPSINTN-MCIONIFRSA-N	321.421	1.855	50	20	DDGD	
CC[C@H](C)N(C)CC(=O)NNC(=O)c1ccc(OC)c(OC)c1	756588451	GORVBGDUKXTKAQ-NSHDSACASA-N	323.393	1.195	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2CCCN(CC(F)F)C2)n1	867286712	GHUUVAQMLRMPAV-SNVBAGLBSA-N	314.336	1.510	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H]2CCc3cnc(C)n3C2)c1	862479260	IYCHCPOSZCUQIN-NSHDSACASA-N	318.402	1.585	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN1C1CCCC1)Nc1ccccc1	860218702	ZIDZYVZLFYQGOA-AWEZNQCLSA-N	302.378	1.856	50	20	DDGD	
Cc1ccc(O[C@H](C)C(=O)NNC(=O)Cc2cc(C)[nH]n2)cc1	869013311	VRTXJPIWOYAANQ-GFCCVEGCSA-N	316.361	1.184	50	20	DDGD	
COCc1ccccc1/C=C(/C)C=NNC(=O)[C@H]1CCC(=O)N1	863150672	YQIHXIGJNSGDKP-RJQYKFOKSA-N	315.373	1.617	50	20	DDGD	
CN1CCC(=NNC(=O)COc2ccc(C(C)(C)C)cc2)C1=O	761745151	FFRYILKDAYSVCW-UHFFFAOYSA-N	317.389	1.697	50	20	DDGD	
Cc1cc(C(F)(F)C(=O)NNC(=O)C(C)(C)O)cnc1Cl	935562296	FRTWVABMZLKDMR-UHFFFAOYSA-N	321.711	1.054	50	20	DDGD	
CC(C)C1(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)COC1	935870527	FGZYWHZEFCAYEH-UHFFFAOYSA-N	301.346	1.644	50	20	DDGD	
O=C(NNc1ccccc1)N[C@H]1CCCC[C@H]1N1CCOCC1	764377785	ZIGXVWZATLXAPT-JKSUJKDBSA-N	318.421	1.956	50	20	DDGD	
CCNC(=O)[C@@H](NS(=O)(=O)CC(C)(C)CCl)C(C)C	867305795	VOKHWBWVNURDIS-JTQLQIEISA-N	312.863	1.332	50	20	DDGD	
O=C(COC(=O)C1=CCCC1)NNC(=O)c1cccc(Cl)c1	761565324	SUHLJQPTDFKUGR-UHFFFAOYSA-N	322.748	1.755	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNC(=O)Nc2ccccc2C)n1	868026105	GBQOHCMWVPMPIL-GFCCVEGCSA-N	315.377	1.989	50	20	DDGD	
CCc1csc(-n2cc(C(=O)NNC(=O)C3CC3)cn2)n1	762681639	PYCLWSXBAAPIRF-UHFFFAOYSA-N	305.363	1.062	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cccc2c1OCCO2	764624949	HTNUQCVCSZLFMW-UHFFFAOYSA-N	317.305	1.405	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2c(C=O)c[nH]c2c1	862094333	KRTYUYZRVAKGGC-BXKDBHETSA-N	315.329	1.166	50	20	DDGD	
COc1cc(C(=O)NN[C@H](C)C(F)(F)F)cc(OC)c1O	862314772	JBFGJHQAVUPTTH-ZCFIWIBFSA-N	308.256	1.595	50	20	DDGD	
CCC(=O)c1ccc(C(=O)NNc2ncnc3[nH]cnc23)cc1	761568935	KKEWCJSWQZMJEF-UHFFFAOYSA-N	310.317	1.703	50	20	DDGD	
COc1ccccc1SCC(=O)NNc1nccn(C)c1=O	764495723	WCROGASFZMSFOQ-UHFFFAOYSA-N	320.374	1.024	50	20	DDGD	
CCN(c1ccc(C(=O)NNC(=O)C(C)(C)O)cc1)C(C)C	768243632	GGDMNSHTJWUXKT-UHFFFAOYSA-N	307.394	1.453	50	20	DDGD	
COCCOCC(=O)NN=Cc1cc(Cl)c(C)cc1O	872399434	BPMFFBDZNXELAQ-UHFFFAOYSA-N	300.742	1.467	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCC(C)CC1)c1cn(C)cn1	872335604	RYAKVGJMWHTBQT-CYBMUJFWSA-N	305.426	1.628	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2cccc(C(F)(F)F)c2)C1=O	773456375	VIOJFXMNLIPIEZ-JTQLQIEISA-N	301.268	1.627	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NOC2CCOCC2)cc1	773537041	YZLUGUGJIYWBQS-UHFFFAOYSA-N	307.350	1.304	50	20	DDGD	
O=C1CCc2ccc(NC(=O)NNc3ncc(F)cn3)cc2N1	775642898	ZDSOIEQAPQSFDX-UHFFFAOYSA-N	316.296	1.649	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)c2cccc(C#N)c2)sc1C	770424043	HCNYTQANTOPGFU-UHFFFAOYSA-N	300.343	1.706	50	20	DDGD	
Cc1nc(C(=O)NNC(=S)NC(C)C)nn1-c1ccccc1	1116020541	ODKRAMSWACBDNZ-UHFFFAOYSA-N	318.406	1.093	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NCC(C(C)C)C(C)C	775001516	AKSRBMSJFNFFNJ-GFCCVEGCSA-N	317.430	1.297	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1ncc(Cl)cc1Cl	775271163	BPQBDIJGZAZHQJ-NSHDSACASA-N	313.188	1.929	50	20	DDGD	
CCc1c(NCc2cccc(B(O)O)c2)cnn1CC(C)C	877122164	KECFTHOHBCFKPM-UHFFFAOYSA-N	301.199	1.393	50	20	DDGD	
CN(C)Cc1cc(NC(=O)NNC(=O)CC(C)(C)C)ccn1	880611806	CTWXKWFEXWCSBG-UHFFFAOYSA-N	307.398	1.732	50	20	DDGD	
CN(C)C(=O)Cn1cc(NC(=O)c2cccc(CCl)c2)cn1	1120598231	LBMRWAMAALOLFO-UHFFFAOYSA-N	320.780	1.962	50	20	DDGD	
O=C(CS(=O)(=O)C1CC1)NNc1ccc(F)cc1Cl	885139193	YSNSZZPPSWHYPC-UHFFFAOYSA-N	306.746	1.499	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cc2cccc(F)c2o1	883063787	CBUUQUNCMKVNFA-UHFFFAOYSA-N	306.293	1.760	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1cc(OC)c(OC)cc1C	779823230	MROKSSHGACWHHW-UHFFFAOYSA-N	323.349	1.208	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2nc(O)n[nH]2)cc1	774901478	LTGRIIVSXIRMLX-XFFZJAGNSA-N	314.301	1.559	50	20	DDGD	
O=C(NCCCOC1CCCC1)NNC(=O)C1CCOCC1	883244542	QANYBOXGTDHYBQ-UHFFFAOYSA-N	313.398	1.093	50	20	DDGD	
Cn1cc(-c2n[nH]cc2C(=O)NNc2cccc(F)c2)cn1	780948514	KTGYAORTMHDTPQ-UHFFFAOYSA-N	300.297	1.706	50	20	DDGD	
COCCOc1cc(OC)ccc1C(=O)NNC(=O)C(C)C	788144427	WFCUXGPZRURNMY-UHFFFAOYSA-N	310.350	1.137	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc(N2CCCC2=O)c(F)c1	782573852	OIDPRRDPPXWDHJ-UHFFFAOYSA-N	322.340	1.761	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC[C@@H](C)C#N)cc1C	781944407	MPNALLNGALZQQY-JTQLQIEISA-N	304.350	1.172	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](c1ccccc1)n1cccn1	780705915	INNUTWSATDOVQI-ZDUSSCGKSA-N	301.350	1.165	50	20	DDGD	
CC(C)(C)[C@H]1CCN(C(=O)NNC(=O)Cc2cccnc2)C1	784292161	ZAPHIDZFESPPSE-ZDUSSCGKSA-N	304.394	1.733	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](C)OC[C@H]2CCCO2)c1	780796959	OVXVXOCYKXRYER-SMDDNHRTSA-N	322.361	1.500	50	20	DDGD	
COC(=O)CNC(=O)NN=C[C@H](OC(C)C)c1ccccc1	793038995	HMZOVLPGTFZZLZ-ZDUSSCGKSA-N	307.350	1.611	50	20	DDGD	
COc1cccc(C=NNC(=O)Cn2c(C)nc3ccccc32)n1	790147749	JSWVYYJUQGSIQS-UHFFFAOYSA-N	323.356	1.899	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)CCCOC(C)(C)C)nc21	796450842	XQUDWZJPGTXCKI-UHFFFAOYSA-N	322.369	1.107	50	20	DDGD	
O=C(CCCCN1CCCC1)NNC(=O)NCC(F)(F)F	798314459	MOPHYWOYDPLXLA-UHFFFAOYSA-N	310.320	1.145	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)Cc2ccncc2)[C@H](n2cncn2)C1	794515220	YZPVYQVWZMCCOM-SWLSCSKDSA-N	312.377	1.749	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1csc(O)n1)c1ccccc1	792157034	MLBWNTGKSFORSJ-JTQLQIEISA-N	305.359	1.804	50	20	DDGD	
CN1CCN(C(=O)NN=C2CCOc3c(F)cc(F)cc32)CC1	790175021	VMDITZXZYISERJ-UHFFFAOYSA-N	324.331	1.408	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(C(C)(C)C)nn1)c1cnn(C)c1	1318961990	PPSASJGWWHDULU-SNVBAGLBSA-N	302.382	1.754	50	20	DDGD	
C[N+](C)(C)CC(=O)NN=Cc1ccc(OC(F)(F)F)cc1	1317745498	MGTVPNHTAPJVAQ-UHFFFAOYSA-O	304.292	1.742	50	20	DDGD	
COCc1nocc1C(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	1327181492	QOZFCTMWZUZHGS-UHFFFAOYSA-N	322.277	1.495	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2cnc(C3CC3)nc2)CC1	1328709809	YYSGREFYKZPFFB-UHFFFAOYSA-N	315.421	1.926	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)C(=O)OC)C(C)(C)c1ccccc1	1323455701	QOVIGFXZSKLBNL-GFCCVEGCSA-N	321.377	1.246	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2Cc3ccc(F)cc32)cc1	1326872686	BLGZDUGINFXHLD-OAHLLOKOSA-N	314.316	1.935	50	20	DDGD	
Cc1cccc2c1CC[C@@H]2NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	1329243433	FXKIRVYDLFDQLC-WHOFXGATSA-N	317.389	1.738	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccncc1	1332087692	GYLPLGXPGLUNKB-UHTWSYAYSA-N	306.366	1.288	50	20	DDGD	
CCCN(CCC)C(=O)CCCC(=O)NNc1ccn(C)n1	1339437732	JIAWNYDCIUKMNX-UHFFFAOYSA-N	309.414	1.682	50	20	DDGD	
CCc1cnccc1[C@H](C)NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	1332090175	OYBUFXHZRMLVER-MJVIPROJSA-N	320.393	1.460	50	20	DDGD	
CC(=NNC(=O)C1CCOCC1)c1ccc(S(C)(=O)=O)cc1	1331359432	BBGCXIJAZWBBBS-UHFFFAOYSA-N	324.402	1.357	50	20	DDGD	
CC(C)(C(=O)NC[C@@]1(C)C[C@@H]1Br)n1ccc(N)n1	1334670451	UPOJJNVAVAQCKE-QPUJVOFHSA-N	315.215	1.490	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H](C)CCOc1ccccc1	1330135806	MSUDHHIRHFZCMH-GFCCVEGCSA-N	309.435	1.995	50	20	DDGD	
CCc1cc(OCC(=O)NN(C)C[C@@H](C)O)ccc1Cl	1262178039	OKCLAULWMSOXFZ-SNVBAGLBSA-N	300.786	1.625	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)NC/C=C\Cl)C[C@@H]1Br	1341676250	LWKGFDFUTGIQTO-FCGYVNRGSA-N	309.591	1.145	50	20	DDGD	
CN(Cc1ccn(C)n1)C(=O)NC[C@@]1(C)C[C@@H]1Br	1341859840	QPOKSQYTGGICCA-CMPLNLGQSA-N	315.215	1.735	50	20	DDGD	
COc1nc(Cl)c(/C=C(\C#N)C(=O)Nc2ccn(C)n2)n1C	1341213454	VTFFGILPAVYINC-SOFGYWHQSA-N	320.740	1.361	50	20	DDGD	
CCOC(=O)C1(CNC(=O)NNc2ccc(C)nn2)CCCC1	1340434000	RIVMVNNLMIHFMV-UHFFFAOYSA-N	321.381	1.535	50	20	DDGD	
O=C(NN=C1CCN(Cc2ccccc2)C1=O)C1CCOCC1	1262038691	WASHQCNEACLLBM-UHFFFAOYSA-N	315.373	1.318	50	20	DDGD	
CCOC(=O)COc1ccc(C=NNC(=O)CC2CC2)cc1	1343889930	AEHYJGIKSGQXGM-UHFFFAOYSA-N	304.346	1.879	50	20	DDGD	
CN(C)c1ccnc(CNC(=O)NNC(=O)C2CCCC2)c1	1357161634	WICRLZFDKWGQFA-UHFFFAOYSA-N	305.382	1.168	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1cccc(F)c1C(=O)O)C(C)C	1603035007	HMWUZCCBBGHUFF-LBPRGKRZSA-N	311.313	1.128	50	20	DDGD	
NC1(CNC(=O)NNc2ccc(C(=O)O)c(F)c2)CCCCC1	1601176550	OYHNSTYELBQEJD-UHFFFAOYSA-N	324.356	1.812	50	20	DDGD	
O=C(O)CN(C(=O)C1CCC(Cl)CC1)C1CCOCC1	1602051082	MVHLMEIYCXXUOQ-UHFFFAOYSA-N	303.786	1.876	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@@]2(C)CCCO2)cc1C(=O)O	1607804760	KPEMWUSLBIAAHF-OAHLLOKOSA-N	321.333	1.415	50	20	DDGD	
Cc1nnc(NNC(=O)Nc2ccc(Cl)c(C(=O)O)c2)n1C	1600798385	HMNDQYVMCYNWMA-UHFFFAOYSA-N	324.728	1.624	50	20	DDGD	
CN(C)N(C(=O)[C@H]1C[C@@H]1C(F)F)c1nc(CC(=O)O)cs1	1606037714	XJMVKTPIMXAXHI-YUMQZZPRSA-N	319.333	1.481	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1cccc(C(=O)O)c1	1605723961	STXJEVGLZAZPBZ-UHFFFAOYSA-N	314.301	1.175	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)/C=C\C1CCOCC1	1607139887	FDBYFCKNOGRNOU-DJWKRKHSSA-N	320.345	1.819	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1cc(C(F)(F)F)n[nH]1	1608483165	SVYJSVFCSGAJNU-UHFFFAOYSA-N	314.223	1.884	50	20	DDGD	
CCc1nn(C)cc1NC(=O)NNc1ccc(C(=O)O)c(F)c1	1610073987	SLYIIXMISGTVTE-UHFFFAOYSA-N	321.312	1.968	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@@H]1CN[C@H]1CC(=O)N(C2CC2)[C@@H]1c1ccnn1C	1550634799	XJYAOWPAQXNBKZ-WCEGMFJQSA-N	322.840	1.687	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=C[C@H]1CCCO[C@@H]1c1nccn1C	1552763516	VSOUTBCMEOSUOL-RQJABVFESA-N	320.393	1.415	50	20	DDGD	
Cc1nn(C)c2nc(Cl)cc(NNC(=O)CNC3CC3)c12	1579891203	GDPHPWIQQVHUKZ-UHFFFAOYSA-N	308.773	1.125	50	20	DDGD	
CNNC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl	1578745045	RALPEEGBMRUHQM-UHFFFAOYSA-N	319.814	1.233	50	20	DDGD	
C[C@@H]1CCCN(C(=O)NC[C@]2(C)C[C@H]2Br)[C@H]1CN	1576700592	UNIMHURYBCMRLY-XZUYRWCXSA-N	318.259	1.929	50	20	DDGD	
C=C(CCC(=O)O)C(=O)NNC(=O)Cc1ccc(Cl)cc1	1588630442	LDAQTKCODPEYFO-UHFFFAOYSA-N	310.737	1.451	50	20	DDGD	
O=C(COC1CCNCC1)NNc1ccc(F)cc1Cl	1580560495	PEDBDNVOXUHITF-UHFFFAOYSA-N	301.749	1.691	50	20	DDGD	
CCC(CC)(CNC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)O	1589481698	JYSKKYRHHGZLRX-SDQBBNPISA-N	304.350	1.334	50	20	DDGD	
COc1cc(NC(=O)NNc2ccc(CC(=O)O)cc2)nn1C	1599440365	VPSSDFVGCRTMRJ-UHFFFAOYSA-N	319.321	1.204	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1c[nH]c(C(=O)O)c1	1599002055	JXFKWHXWKGXEMN-UHFFFAOYSA-N	303.274	1.256	50	20	DDGD	
O=C(/C=C/c1cccc(O)c1)NNc1ccc(-c2nn[nH]n2)cn1	1592793501	DHRANWVIRFKYFH-QPJJXVBHSA-N	323.316	1.124	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc(C(=O)O)c1F)[C@H]1CCCNC1	1593101864	LXSYRWZAMGIHKU-ZJUUUORDSA-N	324.356	1.538	50	20	DDGD	
CCOCCOCC(=O)NNc1ccc(C(=O)O)cc1F	1596934206	LAYGVDPSQREQAQ-UHFFFAOYSA-N	300.286	1.020	50	20	DDGD	
COc1ccccc1[C@H](O)C(=O)NNc1ccccc1C(=O)O	1599701217	MILXYRLLCDRQRJ-AWEZNQCLSA-N	316.313	1.570	50	20	DDGD	
CCn1cc(CNC(=O)NNc2ccc(C(=O)O)c(F)c2)cn1	1597889613	KURYALUFGOGAJW-UHFFFAOYSA-N	321.312	1.567	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1cccc(C(=O)O)c1C)C(C)C	1598885152	VLUUQVQXGFXTSP-LBPRGKRZSA-N	323.349	1.517	50	20	DDGD	
C[C@H](Oc1ccc(C=NNC(=O)c2cc[nH]n2)cc1)C(=O)O	1776091744	FMJMDPRBCQKXKS-VIFPVBQESA-N	302.290	1.026	50	20	DDGD	
CNCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl	1796805959	HBOJTEWRIAOSNI-LSCVPOLPSA-N	319.808	1.159	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(C)=O)c1C	5674581	GXIFUIGIQFRITH-OVCLIPMQSA-N	304.346	1.791	50	20	DDGD	
Cc1noc(C)c1C(=O)NNC(=O)c1ccc2c(c1)OCO2	14800442	KZRLRCQASYRJRW-UHFFFAOYSA-N	303.274	1.095	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)COc2cc(C)on2)c1	18138696	BANUYJNQTPNBQK-UHFFFAOYSA-N	320.374	1.688	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNC(=S)Nc2ccccn2)no1	161601040	IUDGCASHQMLIGV-UHFFFAOYSA-N	319.390	1.999	50	20	DDGD	
Cn1nc(C(=O)NNc2ccc(C(F)(F)F)cc2)ccc1=O	153817152	GDISFQRTWFLJHM-UHFFFAOYSA-N	312.251	1.556	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@H](C)c2cccs2)n1	154838608	LJWLOEUCNPTATP-LLVKDONJSA-N	306.391	1.513	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1cc(C(F)(F)F)ccc1F	159427780	DHPQRFVPHGBUKZ-UHFFFAOYSA-N	322.262	1.559	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(OCC)c(OCC)c1	6949361	KYXOBCWXHNESDA-UHFFFAOYSA-N	323.418	1.779	50	20	DDGD	
Cc1noc(C)c1C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	8029608	VZEHOAMOUJFQNA-SNVBAGLBSA-N	321.308	1.659	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)c2c[nH]nc2C)cc1C	109996290	YLZGICWGNPQSLF-UHFFFAOYSA-N	316.361	1.565	50	20	DDGD	
O=C(Cc1ccn[nH]1)NNC(=O)c1c(Cl)cccc1Cl	175967641	SZVXKAODTXWFDB-UHFFFAOYSA-N	313.144	1.720	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1n[nH]c2c1CCC2)c1ccccc1	110963964	IHAUJLOXKXTCGS-GFCCVEGCSA-N	312.373	1.853	50	20	DDGD	
Nc1cc(C(=O)NNC(=O)c2ccccc2O)cc(Cl)n1	170693518	INMWKEOFNLTBOJ-UHFFFAOYSA-N	306.709	1.098	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNC(=O)c2cnn(C)c2)cc1	117820744	MDVVMNAJDKRNJO-UHFFFAOYSA-N	314.345	1.153	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1ccncc1)N1CCc2ccccc21	176772821	MNFKKXCCEJECHO-ZDUSSCGKSA-N	324.384	1.223	50	20	DDGD	
O=C(CNC(=O)NNc1cccnn1)Nc1ccc(Cl)cc1	172452260	AAZXKEQGOBQGDX-UHFFFAOYSA-N	320.740	1.395	50	20	DDGD	
Cc1nn(C)cc1C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	173410028	WJFFYDKLRJGDSK-UHFFFAOYSA-N	316.365	1.261	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2cnccn2)c2ccc(F)cc2N1	114880733	CLJSWBRFWWTZPZ-JTQLQIEISA-N	301.281	1.185	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NC[C@]2(C)CCCO2)nn1	126381574	OYIAZWUCKZXYAF-HNNXBMFYSA-N	307.398	1.969	50	20	DDGD	
Cc1cccc(-n2ncc(C(=O)NNC(=O)NC3CC3)c2C)c1	64427832	RHVMREGXPMRACK-UHFFFAOYSA-N	313.361	1.596	50	20	DDGD	
CCCOc1ccc(OCC(=O)NNC(=O)NCC2CC2)cc1	65197303	KEKULHHWQCUPBK-UHFFFAOYSA-N	321.377	1.595	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@@H]1CCN(CC2CC2)C1	126008749	BJMBKTIYFSMABG-SNVBAGLBSA-N	310.789	1.240	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NC1CCC(O)(c2cccnc2)CC1	184535801	FFDVEXSOHXBPEU-ACCUITESSA-N	315.373	1.772	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)Cc2ccc(F)cc2)CCCO1	126565990	RRGVCMHNJMDJCI-HNNXBMFYSA-N	309.341	1.268	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNC(=O)c1ccc[nH]1)C1CCCCC1	126853145	PAFZSQJGXXZWBJ-CQSZACIVSA-N	321.425	1.469	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cc(CC)[nH]c(=O)c2)cc1	181154802	KMLHMTBGOPFISZ-UHFFFAOYSA-N	313.357	1.575	50	20	DDGD	
O=C(NNc1ncc(F)cn1)C1CCN(CC(F)(F)F)CC1	122960596	ZVERJRMDXKIXHF-UHFFFAOYSA-N	321.278	1.333	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCCN1CCc2ccccc21	79281117	IYWBPPUZYKALER-UHFFFAOYSA-N	318.421	1.816	50	20	DDGD	
C[C@@H](CBr)CN(CCO)CCOCC(F)(F)F	133781072	XOECNXHVBWINDQ-VIFPVBQESA-N	322.165	1.891	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)NCc2ccco2)c1	73117797	QWZWMBICNGOSHQ-UHFFFAOYSA-N	317.345	1.806	50	20	DDGD	
Cc1cc(Cl)ccc1S(=O)(=O)NNC(=O)[C@@H]1CCCO1	48654038	NLMZHTPOUWZTSK-JTQLQIEISA-N	318.782	1.137	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2sc(C)nc2C)c1	70694885	UTJKKBFXSIDPJI-UHFFFAOYSA-N	319.386	1.908	50	20	DDGD	
O=C(CO)NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	180945708	XMEVOBWNWPNIFM-UHFFFAOYSA-N	322.324	1.050	50	20	DDGD	
O=C(NCC1(Cc2ccccc2)CC1)NNC(=O)[C@@H]1CCCO1	131237744	FXNBNYWQLJSZND-AWEZNQCLSA-N	317.389	1.519	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)Cc1ccncc1	81025450	MTNLBVIYSWSEOU-UHFFFAOYSA-N	319.748	1.747	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(F)ccc1Br	136408477	YKISKBQORRRTRP-UHFFFAOYSA-N	306.091	1.981	50	20	DDGD	
Cc1nn(C)c2ncc(/C=C(/C#N)S(=O)(=O)N(C)C)cc12	195321768	VAXACBGJFCDFRQ-WZUFQYTHSA-N	305.363	1.033	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2c[nH]c3ncccc23)c(O)c1	132674778	GDRMOWBBIWGUBY-UHFFFAOYSA-N	324.340	1.581	50	20	DDGD	
CN(C)[C@@H](C(=O)NNC(=O)NC1CCCCC1)c1ccccc1	195454087	KCEFLNWNNPGJNO-OAHLLOKOSA-N	318.421	1.952	50	20	DDGD	
CCN(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccn(C)n2)cn1	191330511	UQQAUACFPPUYBU-UKTHLTGXSA-N	310.361	1.817	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN[C@H]1CCCC1(C)C	191862337	AUFJNXNEYANCKM-HNNXBMFYSA-N	317.433	1.853	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H](NC(C)=O)C2CCCC2)c1	130793584	XUERFPDNPADFFI-HNNXBMFYSA-N	323.368	1.972	50	20	DDGD	
Cc1csc(NC(=O)NNC(=O)c2ccc3c(c2)OCO3)n1	146509838	ACSHNUPDVRLQHJ-UHFFFAOYSA-N	320.330	1.647	50	20	DDGD	
O=C(CCc1ccc(F)cc1)NNC(=O)c1ccccc1O	198350961	UYKUMDPBQRYXQW-UHFFFAOYSA-N	302.305	1.925	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNC(=O)NCCc1cccs1	92342944	WRWBJUWOVLANGL-UHFFFAOYSA-N	321.406	1.231	50	20	DDGD	
NC(=O)NN=Cc1ncc(Br)cc1Br	252848164	DKIXXIRHIZRWDA-UHFFFAOYSA-N	321.960	1.609	50	20	DDGD	
C[C@H](c1ccccc1)[C@](C)(O)C(=O)NNC(=O)NC1CCCC1	267030542	RQWDRUIWNXCTCZ-PXAZEXFGSA-N	319.405	1.814	50	20	DDGD	
CC(=O)N1CCC[C@H]1C(=O)NNc1cccc([N+](=O)[O-])c1C	269629097	WJYKCHJKQYLDIJ-ZDUSSCGKSA-N	306.322	1.357	50	20	DDGD	
CCOC(=O)CCCNC(=O)NNc1ncnc2ccsc12	268874361	VFHDLLDOCXKAAD-UHFFFAOYSA-N	323.378	1.661	50	20	DDGD	
Cc1nc(NC(=O)NNC(=O)COCc2ccccc2)oc1C	265655416	ATSJQIQIJMNQRM-UHFFFAOYSA-N	318.333	1.661	50	20	DDGD	
CC(=O)N1c2ccccc2C[C@H]1C(=O)NNC(=O)OC(C)(C)C	363954358	QWWZIRCPQFERDT-ZDUSSCGKSA-N	319.361	1.520	50	20	DDGD	
CCOc1ccccc1OCCCC(=O)NNC(=O)C(C)(C)O	276211432	HFYOANUXFRXRLO-UHFFFAOYSA-N	324.377	1.163	50	20	DDGD	
C[C@@H](CC(=O)c1ccccc1)NS(=O)(=O)CBr	272831190	QYJIWUUQTNHVDD-VIFPVBQESA-N	320.208	1.920	50	20	DDGD	
CC(C)CNC(=O)N1CCC[C@@H](C(=O)N2CC=C(C#N)CC2)C1	270921332	JDPREJNCGJWOKP-OAHLLOKOSA-N	318.421	1.746	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@@H]1CCSC1	279677629	ZPLDBMHDHIPPBA-JTQLQIEISA-N	309.391	1.392	50	20	DDGD	
COC(=O)c1ccnc(NC(=O)NNC(=O)OC(C)(C)C)c1	278117790	SHWUIPSGOGCMRB-UHFFFAOYSA-N	310.310	1.429	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)CSc2ccccc2O)CCCOC1	272988050	PSZKYSXCMDZLFM-OAHLLOKOSA-N	324.402	1.448	50	20	DDGD	
CCN(CC)C(=O)CCCNC(=O)NNc1cccc(F)n1	286732066	SZXQBOHXNHYYAE-UHFFFAOYSA-N	311.361	1.495	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NNc2nnc(-c3ccccn3)s2)O1	282295988	RZRBGLULFKJAPH-FXPVBKGRSA-N	319.390	1.857	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc2c(c1)SCC(=O)N2	289448025	DNSCQSXMZYBLDT-UHFFFAOYSA-N	307.375	1.538	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(C)[C@@H]2COC[C@H]2O)cc1	287317183	NNPQTPDYMDFIOX-JVPVSYIYSA-N	316.357	1.210	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(O)nc2ccccc12	295268283	BPPOLJBXQPHERC-CYBMUJFWSA-N	315.329	1.271	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1cc([N+](=O)[O-])n[nH]1	803119157	RGUGAZZNECIREM-UHFFFAOYSA-N	316.199	1.489	50	20	DDGD	
Cc1ncc(COC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)cn1	803269783	QKUGUVXCFVJVHP-TVPGTPATSA-N	321.340	1.954	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)C(C)(C)N1CCOCC1	801268276	XGIOFVCUZIBVID-UHFFFAOYSA-N	307.398	1.154	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@@H]2CCCCC23CCCC3)cn1	291382582	SQFHOVSODAFLRJ-CYBMUJFWSA-N	319.409	1.867	50	20	DDGD	
COc1ccc(OC)c(CCNC(=O)NNC(=O)CC(C)C)c1	299107986	OBJGHEXYFMGTFC-UHFFFAOYSA-N	323.393	1.623	50	20	DDGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NNc1cccc(NC(C)=O)c1	293797643	BARNXLGPPQQKIB-BONVTDFDSA-N	320.393	1.639	50	20	DDGD	
COCCc1ccccc1NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	297770441	LLPBCLXAMHFALR-FZMZJTMJSA-N	321.377	1.596	50	20	DDGD	
Cc1cc(C(=O)NNc2ncccc2F)c2c(C)n[nH]c2n1	804217522	BMQFTHDJHGOPSX-UHFFFAOYSA-N	300.297	1.866	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cc([N+](=O)[O-])c2nsnc2c1	294064590	GSGHXEFWPDRSAY-UHFFFAOYSA-N	321.318	1.161	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CC1(F)F	294302373	IQFKMDTXKXFCQF-HTQZYQBOSA-N	302.252	1.396	50	20	DDGD	
Nc1nc(C2CC2)ncc1C(=O)NNc1cccc(F)c1F	806944891	MWWVACOYBCDWFD-UHFFFAOYSA-N	305.288	1.971	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@](C)(OC)C1CC1	291251005	NWUWMPFTISOUFU-INIZCTEOSA-N	321.377	1.454	50	20	DDGD	
O=C(NNc1ccncn1)C1CCN(Cc2ccccc2)CC1	295365207	DEFPSKMXKAYGGT-UHFFFAOYSA-N	311.389	1.832	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C1CCC1)[C@H]1OCCc2sccc21	292132012	LRJJSKQYKRVUOJ-NOZJJQNGSA-N	323.418	1.881	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2ccc(N)nc2)o1	807967347	UCMGMWRVXIIMFK-UHFFFAOYSA-N	315.377	1.863	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@@H](C)C(F)(F)F	808335854	ZDBNCSBUKCGFSA-VIFPVBQESA-N	303.284	1.819	50	20	DDGD	
COc1ccc(NNC(=O)c2cnc(C3OCCO3)s2)nc1	807321523	WAFULSDNKPIWCL-UHFFFAOYSA-N	322.346	1.349	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCCc2occc2C1	808796666	AHJXAXPBWRJBHU-LBPRGKRZSA-N	307.394	1.610	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)CC2CC2)c(C(F)(F)F)n1	294292001	WIWKHSWMJGDCHH-UHFFFAOYSA-N	304.272	1.483	50	20	DDGD	
COc1cc(CC(=O)NNC(=O)N=c2cc[nH]cc2)ccc1C	802035333	FOTJNSZMPDXYAZ-UHFFFAOYSA-N	314.345	1.216	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cnc(Cl)c(Cl)c1	295617997	HOWRYKIAJVJRMB-VIFPVBQESA-N	318.160	1.719	50	20	DDGD	
CSSCCNC[C@H](O)COc1ccccc1[N+](=O)[O-]	819297078	KYJXSARODODJHI-JTQLQIEISA-N	318.420	1.935	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNc2cccc(Cl)n2)c(O)n1	817009737	XMXQZGGYAGZJCM-UHFFFAOYSA-N	307.741	1.533	50	20	DDGD	
CC(=O)Nc1ccc(O)c(C(C)=NNC(=O)Cc2cc[nH]n2)c1	814957011	JZOZMVQXLPYYIE-UHFFFAOYSA-N	315.333	1.157	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCCCC1(O)CCC1	817173088	FZYCNKBDFPRZDV-UHFFFAOYSA-N	319.405	1.645	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cnc(-c2cccnc2)s1	819117886	HYJHRFXEMRJKFF-UHFFFAOYSA-N	302.359	1.766	50	20	DDGD	
Cc1ncc2n1CC[C@@H](C(=O)NNC(=O)c1cccc(C#N)c1)C2	810347066	PGXCRGFFUYHTGW-CQSZACIVSA-N	323.356	1.087	50	20	DDGD	
COC(=O)c1cc(/C=C(/C#N)C(=O)[C@@H]2CCCOC2)cn1C	811692062	WVOCGQQAZKLSKB-UHJIQDEKSA-N	302.330	1.714	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C[C@H](c1ccccc1)c1ncc[nH]1	819918985	FRAFYQOENBDJRJ-CYBMUJFWSA-N	315.377	1.624	50	20	DDGD	
CC(CO)(CO)CNC(=O)CCCC[C@@H]1CCSS1	816760436	RQXOMOKDWQMUBE-LLVKDONJSA-N	307.481	1.808	50	20	DDGD	
O=C(NCc1ccc2c(c1)CCO2)NNc1ncncc1F	814294865	ORPQYOUQGJPWCH-UHFFFAOYSA-N	303.297	1.377	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNc2ncncc2F)cc1	815765170	IEBCKKVKCJOZBU-UHFFFAOYSA-N	303.297	1.260	50	20	DDGD	
Cc1nc(O)c(C(=O)NN(C)C2CC2)cc1Br	819650072	SLKCPJMCLYYWAH-UHFFFAOYSA-N	300.156	1.597	50	20	DDGD	
CCN1CCC(CNC(=O)NNc2cncc(Cl)n2)CC1	726274650	GOITYDYHMRJUNJ-UHFFFAOYSA-N	312.805	1.488	50	20	DDGD	
Cc1cc(NNC(=O)Cc2c(C)nn(C(C)C)c2C)ncn1	825854856	PAXDNCDSPKEWQM-UHFFFAOYSA-N	302.382	1.865	50	20	DDGD	
CC/C(C)=C\C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1	828392051	JASLCZYOSHJJMV-NTMALXAHSA-N	323.780	1.460	50	20	DDGD	
Cc1csc(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)n1	826320690	ABXWKEQZTGVRQV-UHFFFAOYSA-N	313.346	1.396	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1ccc2c(c1)CCOC2	823792633	ACZXXFWDBLTNBL-UHFFFAOYSA-N	315.329	1.497	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@H]1CC1(Cl)Cl	826448169	KWORWJMZUGXVND-MRVPVSSYSA-N	313.148	1.504	50	20	DDGD	
CC1(C(=O)NNC(=O)COc2ccc(F)cc2)CCOCC1	726767254	LSVSPJWYCWGDBU-UHFFFAOYSA-N	310.325	1.169	50	20	DDGD	
CN(C(=O)/C(C#N)=C/c1cnn(C)c1)[C@H](CCO)c1ccccc1	491159007	HELZYHKLLOZYOZ-BRVCPTFNSA-N	324.384	1.909	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCCN(C)C(=O)OC	822775706	DVEWGCVVTNRIFH-UHFFFAOYSA-N	308.382	1.882	50	20	DDGD	
Cc1cnc([C@@H](NCC(=O)NNC(=O)C(C)C)C2CC2)s1	828808324	KMNCHMYPEMYOSC-LBPRGKRZSA-N	310.423	1.296	50	20	DDGD	
C[C@H](CNC(=O)/C(C#N)=C\c1ccc(F)cc1)c1nncn1C	491160937	MPTSWHWKMOPKMR-NUBYWOLOSA-N	313.336	1.781	50	20	DDGD	
CCn1cc(NC(=S)NNC(=O)Cc2csc(C)n2)cn1	726121769	JPPWWAKJWQDJCN-UHFFFAOYSA-N	324.435	1.228	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)NNc1cccnn1	495152121	CQOLZJYCQRNPJZ-NSHDSACASA-N	321.381	1.709	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cnc(Br)c(C)c1	822547492	MQVJVOLEFZHSKS-UHFFFAOYSA-N	317.212	1.233	50	20	DDGD	
CO[C@H]1Cc2ccc(NCc3ccc(B(O)O)cc3F)cc2C1	585033652	ADHWCWQWYUCYFG-INIZCTEOSA-N	315.153	1.231	50	20	DDGD	
Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N1CC[C@@H](B(O)O)C1	585074981	FATPPZDVBHCCFH-DZGCQCFKSA-N	319.210	1.961	50	20	DDGD	
O=C(CNC(=O)N1CCCC1)NNc1cc(F)c(F)cc1F	901167092	DRYXAXXMRFAGPJ-UHFFFAOYSA-N	316.283	1.352	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CN(C)CC(C)(C)C)cc1	822764630	LGPZDAYEYKRSMM-UHFFFAOYSA-N	322.409	1.826	50	20	DDGD	
CC(C)(C)[C@H](CC(F)(F)F)NC(=O)c1cccc(B(O)O)c1	584974713	IVKWFAIGKKJUKT-NSHDSACASA-N	317.116	1.463	50	20	DDGD	
O=C(NNC(=O)C1(C(=O)C2CC2)CC1)c1ccc2ccccc2n1	822114594	FEXVQPAKTSPAMS-UHFFFAOYSA-N	323.352	1.755	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@H]1CCS[C@H]1C	827650406	PVQKFDUYYHEQNP-AAEUAGOBSA-N	307.419	1.762	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12	822194844	WKUFPZODXFCCPT-FRRDWIJNSA-N	318.373	1.658	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCCCc1ccccc1	825546878	DJKDPPYLTNCWQF-UKRRQHHQSA-N	319.405	1.765	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1ccccc1-n1cnc(C#N)n1	491101169	DBDFLUSPPGXJET-LUAWRHEFSA-N	308.301	1.521	50	20	DDGD	
O=C1COc2cc(C(=O)NNc3nccnc3Cl)ccc2N1	734261280	KIDHFGMJCRWMNX-UHFFFAOYSA-N	319.708	1.218	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c(F)c1	585050077	QGFRWFBBWIWZMI-HYVNUMGLSA-N	315.128	1.073	50	20	DDGD	
CC[C@H](CNC(=O)NNc1ccc(C(=O)OC)c(F)c1)OC	838596390	FCIJMHSUDCEBCT-SNVBAGLBSA-N	313.329	1.663	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CN2CSCCSC2)n1	900076491	NSRJOJOJSOQSCI-UHFFFAOYSA-N	313.452	1.234	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)[C@@H]1C[C@H]2CC[C@H]1O2	834917555	DXCHFBHQCNXKMA-IATRGZMQSA-N	316.357	1.886	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)NCC12CCC(CC1)C2	836376394	FHUCGPDHDUUTKN-UHFFFAOYSA-N	303.366	1.420	50	20	DDGD	
CCOc1ccc(C(=O)NN=C(C)c2cn(C)nn2)cc1OC	834929640	RNYTWYFILVDVTE-UHFFFAOYSA-N	317.349	1.376	50	20	DDGD	
CCCOc1ccc(CCC(=O)N2CC[C@H](B(O)O)C2)cc1	585066202	MACWFXAJUGFHNW-AWEZNQCLSA-N	305.183	1.483	50	20	DDGD	
CC[C@H]1CN(C(=O)c2c(C)nn(CCCl)c2C)CC[C@@H]1N	834646932	KLRPTMHSSWEFMF-STQMWFEESA-N	312.845	1.938	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@@H]1CCN(CC2CC2)C1	838484780	JMDSPKSVIFKYBX-LLVKDONJSA-N	311.336	1.470	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2c3c(nn2C)CCC3)c1	907265270	QDURRZMJTLJPFC-UHFFFAOYSA-N	314.345	1.452	50	20	DDGD	
CCc1ccccc1-n1cc(C(=O)NNC(=O)C(C)(C)C)nn1	839536963	UIFVOEWYAPQKFH-UHFFFAOYSA-N	315.377	1.637	50	20	DDGD	
O=C([C@H](F)c1ccc(C(F)(F)F)cc1)N1CC[C@H](B(O)O)C1	585064208	NTIPPKPOSAYHHH-WDEREUQCSA-N	319.063	1.791	50	20	DDGD	
COc1cc(C=C(C#N)C#N)c([N+](=O)[O-])cc1OCC(=O)O	730435074	YTBKXTMREAGOOX-UHFFFAOYSA-N	303.230	1.497	50	20	DDGD	
CC[C@H](C)n1ncc(C(=O)Nc2cccc(B(O)O)c2)c1C	584914122	PWFBFCQMAHECEM-JTQLQIEISA-N	301.155	1.095	50	20	DDGD	
COc1ccc2nc(NNC(=O)[C@H](O)C3CC3)c(C)cc2c1	831805882	DTEQKCWDPVSVRK-CQSZACIVSA-N	301.346	1.766	50	20	DDGD	
O=C(NCC[C@@H]1C[C@H]2CC[C@H]1O2)NNC(=O)c1ccccc1F	838752904	SMTFAISAECIAPN-JTNHKYCSSA-N	321.352	1.727	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CCN1C	736226682	XONBGFNAZLRQBS-JTQLQIEISA-N	313.365	1.067	50	20	DDGD	
C[C@H](Cc1cnn(C)c1)NC(=O)NNc1cccc([N+](=O)[O-])c1	838694714	UAGDPJWNYSAULT-SNVBAGLBSA-N	318.337	1.586	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cccc2[nH]ccc12	831405814	BNPSMVHHIKRXHZ-VHSXEESVSA-N	302.334	1.746	50	20	DDGD	
C/C=C/C(=O)NNC(=O)c1ccc(OC)c(Br)c1	732037309	OMPFGBCFAXYIPX-ONEGZZNKSA-N	313.151	1.795	50	20	DDGD	
Cc1ccc(NCC(=O)NN=C2CCCS(=O)(=O)C2)cc1	731923500	OMWFIFMTWFPEHJ-UHFFFAOYSA-N	309.391	1.088	50	20	DDGD	
Cc1ccnc(NCc2ccc(B(O)O)cc2F)c1C1CC1	585047202	KIAFWXPKAADQRB-UHFFFAOYSA-N	300.142	1.698	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1F)N[C@H]1CCS(=O)(=O)C1	913833745	KMIAGTNHDZPWTQ-QMMMGPOBSA-N	321.761	1.292	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1ccc([N+](=O)[O-])o1	916364441	MBLBMWQWSYCAGQ-LLVKDONJSA-N	308.338	1.760	50	20	DDGD	
CCCN1CCC[C@H](C(=O)NNC(=S)N[C@H](C)C2CC2)C1	912160531	MGLADWJUTJTMRL-YPMHNXCESA-N	312.483	1.402	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cc2ccccc2nc1O	918365026	VMQRRAMARDJHDW-UHFFFAOYSA-N	313.235	1.654	50	20	DDGD	
COC[C@@H](C)NC(=S)NNC(=O)Cn1ccc2ccccc21	918401279	HXEPFYVWUIIRQU-LLVKDONJSA-N	320.418	1.172	50	20	DDGD	
COCCn1cc(C=NNC(=O)CCN2CCCCCC2)cn1	743428904	RJVCMXRDZGMZOA-UHFFFAOYSA-N	321.425	1.246	50	20	DDGD	
O=C(CCc1nc2ccccc2o1)NNC(=O)CC(F)(F)F	918365999	PTDBIUYONBSLDQ-UHFFFAOYSA-N	315.251	1.860	50	20	DDGD	
N#Cc1ccc(NNC(=O)CCn2ccnn2)cc1C(F)(F)F	748624469	WTDHAYCKHNCFHG-UHFFFAOYSA-N	324.266	1.702	50	20	DDGD	
CO[C@@H](C=NNC(=O)CNc1ccc(C)cc1)[C@H]1CCOC1	841602303	FALYPNQNAWPUDB-ZFWWWQNUSA-N	305.378	1.560	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNc1ccc(CC(=O)OC)cc1	846376738	DILGQPRCXHJEDP-ZDUSSCGKSA-N	322.361	1.435	50	20	DDGD	
Cc1ccc(NNC(=O)c2ccc(S(=O)(=O)N(C)C)o2)cc1	914857096	RLQLXXPKHGDIQB-UHFFFAOYSA-N	323.374	1.595	50	20	DDGD	
C[C@@H]1[C@H](CO)CCCN1C(=O)NNC(=O)c1cccc(C#N)c1	841577789	FZQQBHHASFSOAW-RISCZKNCSA-N	316.361	1.005	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1ccccc1C	916361712	DVMLTBJIMKOQRD-AWEZNQCLSA-N	303.406	1.804	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=Cc1cc2ccccc2o1	743447143	DIZZSUIBONQLMS-UHFFFAOYSA-N	312.285	1.327	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)CCc1ccc(F)cc1	849304088	NQBDCMVDNSGQTQ-SNVBAGLBSA-N	302.371	1.365	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCCc2ccc(F)cc2)n[nH]1	847626757	RMTDHTOQVXUIMW-UHFFFAOYSA-N	304.325	1.641	50	20	DDGD	
CC[C@H](Nc1ccccc1)C(=O)NNc1ccnc(N(C)C)n1	740113017	XCSQOLCQNGPYTK-ZDUSSCGKSA-N	314.393	1.876	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cc1cc2ccccc2o1	843648249	PNXRDTQQMPODHP-GXFFZTMASA-N	302.330	1.548	50	20	DDGD	
NC(=O)N1CCC(=NNC(=O)c2cc3ccccc3o2)CC1	749824135	YANYPAKAOMZWAV-UHFFFAOYSA-N	300.318	1.693	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)c2cccc([N+](=O)[O-])c2)[C@H]1OC	841605723	ZVBKQAAHXUSEGT-CHWSQXEVSA-N	307.306	1.504	50	20	DDGD	
CCONC(=O)CNCc1ccc(OCCCCl)cc1	846091687	NWVWLINQPWTXEI-UHFFFAOYSA-N	300.786	1.852	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)Nc2ccc(N(C)C)cc2)c2ncnn21	841626581	SXOJPZTVBHZIDD-SNVBAGLBSA-N	313.365	1.835	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCCO2)NNc1ncnc2[nH]cnc12	844134613	MNXMTPNUNZHNAB-UHFFFAOYSA-N	324.344	1.364	50	20	DDGD	
CCn1cncc1C=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1	841614584	MYEOYVFKEJVTLY-MELADBBJSA-N	321.425	1.098	50	20	DDGD	
CCOC(=O)COC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	913286910	MYUSNMRHMHLVQB-LFYBBSHMSA-N	301.302	1.218	50	20	DDGD	
CCNC(=O)NNC(=O)CS[C@H](C)c1nc2ccccc2[nH]1	746593398	ZFJCDWGCSSORDZ-SECBINFHSA-N	321.406	1.707	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1cc(C#N)c[nH]1	748313364	FIHAJCJMWQKLLF-UHFFFAOYSA-N	304.331	1.047	50	20	DDGD	
O=C(CNC(=O)c1ccncc1)NNc1ccc(Cl)c(F)c1	746698678	LOJOICGPLJHUIU-UHFFFAOYSA-N	322.727	1.747	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1cccc(C2CC2)c1	840288009	DQYJOSYYWJDHBB-UHFFFAOYSA-N	305.378	1.473	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H]1CCCC[C@@H]1CN	841951081	WCZQGQYMWYCOEG-DGCLKSJQSA-N	320.393	1.157	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C	748615254	PDXZIHDZPCETTA-YVECIDJPSA-N	315.414	1.193	50	20	DDGD	
O=C(Cc1ccsc1)NNC(=O)NCCC[C@@H]1CCCN1	842006757	VETVBWIJNWTPCN-LBPRGKRZSA-N	310.423	1.153	50	20	DDGD	
CC(C)c1ccccc1C=NNC(=O)[C@@H](C)NS(C)(=O)=O	848405317	GROPZDCANVYTRC-LLVKDONJSA-N	311.407	1.198	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@@H]2CCCCN2)cc1	841923146	YBHNITGWTNQQMR-AWEZNQCLSA-N	304.394	1.335	50	20	DDGD	
O=C(NN=Cc1nc(Cl)cs1)[C@@H]1CN2CCC[C@@H]2CO1	853388169	AAGIDBANXKKZSN-BDAKNGLRSA-N	314.798	1.110	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1c(O)cccc1Cl	755738569	JNAGYWAQPFIZNC-UHFFFAOYSA-N	311.769	1.801	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C[C@H]1C[C@@H]1c1ccccc1	755774010	OFMICOLCJVJWAA-HZPDHXFCSA-N	322.368	1.717	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)C(C)C)c1-c1ccccc1	756795908	DTZBHXIEEPBFKC-UHFFFAOYSA-N	300.362	1.987	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NN=Cc2cncn2C)cc1	755562148	BVQNRTZPIHFHSS-GFCCVEGCSA-N	316.361	1.736	50	20	DDGD	
Cn1ccnc(NNC(=O)c2cccc(N3CCCC3)c2)c1=O	857144600	NUWFZPYXQYCKDE-UHFFFAOYSA-N	313.361	1.137	50	20	DDGD	
Cc1noc(Cl)c1CC(=O)NNC(=O)c1ccccc1O	750865560	LKGARWHBPDJYKF-UHFFFAOYSA-N	309.709	1.346	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1	756507785	FNIBCFYZXWVBLR-LBPRGKRZSA-N	320.393	1.643	50	20	DDGD	
COCCOCCCCNC(=O)NNc1cncc(Cl)n1	750327890	WGPGNKMCEWBASY-UHFFFAOYSA-N	317.777	1.199	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)NOCCC(F)(F)F	852266321	BQTBVIOZSWWJFX-UHFFFAOYSA-N	310.207	1.049	50	20	DDGD	
COc1c(Cl)cc(NC(=O)NNC(=O)CO)cc1Cl	756302632	QIFGKWYRHSUACN-UHFFFAOYSA-N	308.121	1.147	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cccc(C)c1Br	854923368	SUXKDJPZQBVDQK-UHFFFAOYSA-N	316.224	1.838	50	20	DDGD	
C[C@H](Sc1ccccn1)C(=O)NNC(=O)c1cccn1C	754219954	VVFARFNOKZXDOV-JTQLQIEISA-N	304.375	1.362	50	20	DDGD	
CCn1nccc1NC(=O)NNC(=O)c1ccc2c(c1)OCO2	757903332	SXCKWJPRMDBMOC-UHFFFAOYSA-N	317.305	1.098	50	20	DDGD	
CNC(=S)N(C)NC(=O)C1(C(=O)OC(C)(C)C)CC=CC1	854929030	WPDJUHMZLDPPON-UHFFFAOYSA-N	313.423	1.132	50	20	DDGD	
O=C(NNC(=O)c1cc2n(n1)CCCC2)c1cccc(Cl)n1	857324552	ISIHWRMSWNRAPQ-UHFFFAOYSA-N	319.752	1.343	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NNC(=O)NC1CCCCC1	854192622	SGNBIVFLAKTHMQ-VXGBXAGGSA-N	305.382	1.187	50	20	DDGD	
Cc1cccc(CN(C)CC(=O)NNC(=O)c2ccccc2)n1	752297152	QBVUAOLBXKQGGF-UHFFFAOYSA-N	312.373	1.283	50	20	DDGD	
Cc1nn(C)cc1C=NNC(=O)Nc1ccc(N(C)C)cc1	755743147	KCDALCZSRPSBIS-UHFFFAOYSA-N	300.366	1.950	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cc1ccc(O)c(F)c1)C1CC1	855095037	HXXVEEQSHKNQRO-MRVPVSSYSA-N	311.382	1.368	50	20	DDGD	
COc1nc(Cl)c(C=NNC(=O)Cc2cc(C)[nH]n2)s1	755627547	LVSWRZRYQIWEMY-UHFFFAOYSA-N	313.770	1.529	50	20	DDGD	
O=C(CCCF)NNC(=O)CSc1ccccc1[N+](=O)[O-]	855011359	FZKPCTCZNZAWDS-UHFFFAOYSA-N	315.326	1.584	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNC(=O)c1ccsc1	751208302	BMFCZUIOFZYDTR-UHFFFAOYSA-N	309.372	1.001	50	20	DDGD	
COc1ccc(NNC(=O)C(F)(F)c2nccs2)nc1	757602350	MCIPQADZKSPOAZ-UHFFFAOYSA-N	300.290	1.782	50	20	DDGD	
CCCC1(C(=O)NNC(=O)CNC(=O)c2ccco2)CCC1	759180479	OYBLZEVKNOYVKI-UHFFFAOYSA-N	307.350	1.127	50	20	DDGD	
C[C@@H](C(=O)NNc1ncncc1F)n1ccc(C(F)(F)F)n1	868541235	QJJXVMMYRKFEEL-LURJTMIESA-N	318.234	1.535	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)C[C@@H]1CCC(=O)N1C	862289585	RQSNZILALNWNLM-ZDUSSCGKSA-N	319.361	1.297	50	20	DDGD	
COCCN(C)NC(=O)c1cc(F)cc(Br)c1F	935911734	LCIQULDTIYQJST-UHFFFAOYSA-N	323.137	1.950	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccccc1-n1cccn1	768547661	PYMXVICZELAMFJ-UHFFFAOYSA-N	302.338	1.570	50	20	DDGD	
O=[N+]([O-])c1cc(S(=O)(=O)NCC(Cl)Cl)cs1	867469294	BYODEZHHTXRTIG-UHFFFAOYSA-N	305.164	1.738	50	20	DDGD	
O=C1C[C@@H](NS(=O)(=O)c2ccc(CCCCl)cc2)CN1	763206627	QJPYOKWBSBFYTD-LLVKDONJSA-N	316.810	1.025	50	20	DDGD	
O=S(=O)(CBr)NCC[C@@H](O)C1CCCC1	867932263	BIBOQZWQNZRLQY-SECBINFHSA-N	300.218	1.199	50	20	DDGD	
CC(=O)Nc1ccccc1CC(=O)NNC(=O)c1ccccc1	766324788	PSASPHHXVKTLSZ-UHFFFAOYSA-N	311.341	1.649	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1cnn(C2CCC2)c1	935802827	PQFOEWNUFYVHSQ-UHFFFAOYSA-N	305.260	1.114	50	20	DDGD	
O=C(CN1CC[C@@H](C(F)(F)F)C1)NNC(=O)c1cccs1	761053740	QFOKRHQXKLWOSE-MRVPVSSYSA-N	321.324	1.393	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H]2CCC(=O)c3cccn32)c1	862479335	KTHUKQYXFJEDQA-NSHDSACASA-N	317.370	1.837	50	20	DDGD	
CC(C)C(=O)NNS(=O)(=O)c1c(Cl)ccnc1Cl	766895253	CDEMSQRKPRANDM-UHFFFAOYSA-N	312.178	1.354	50	20	DDGD	
Cc1cc(NNC(=O)[C@]2(C)COc3ccccc3O2)ncn1	863875490	YRSIODXSPALIMJ-HNNXBMFYSA-N	300.318	1.458	50	20	DDGD	
CCCCOc1ccccc1C=NNC(=O)[C@H]1CCC(=O)N1	863153583	XBAZCWIWSCAYSW-CYBMUJFWSA-N	303.362	1.594	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C2CCSc3ccc(Cl)cc32)N1	863146590	XKOHEHOKYGVCPQ-LLVKDONJSA-N	323.805	1.935	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccccc1CC#N	864591042	SWCGUJLNTVALLD-UHFFFAOYSA-N	320.418	1.240	50	20	DDGD	
O=C(NNc1cccnn1)c1ccc2nnc(C(F)F)n2c1	1116549902	JQSUHPDMRFGHOR-UHFFFAOYSA-N	305.248	1.214	50	20	DDGD	
O=C(CCl)NC[C@H](O)COc1ccccc1Br	1116438488	SGPMKSXSKWPEEP-QMMMGPOBSA-N	322.586	1.544	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)CCc1ccc(OC)cc1)C1CC1	861765717	YGUOOQKFLXPQTN-INIZCTEOSA-N	320.389	1.590	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=C2CCN3CCC[C@H]23)c1	765573835	UDRAISMQHVGTSE-CQSZACIVSA-N	321.402	1.044	50	20	DDGD	
C[C@@]1(CNC(=O)C23CCCN2CCC3)C[C@@H]1Br	1118787618	FGPQJSKBUJDPAK-JQWIXIFHSA-N	301.228	1.905	50	20	DDGD	
Cc1cc(C=NNC(=O)Cc2cc(O)nc(S)n2)c(C)o1	767898847	BLCQQRHJUCWJMA-UHFFFAOYSA-N	306.347	1.374	50	20	DDGD	
O=C(CCC1(O)CCC1)NNC(=O)c1nc2ccccc2s1	874913606	FVUCHYMNVNYLIY-UHFFFAOYSA-N	319.386	1.753	50	20	DDGD	
CC[C@H](NNC(=O)[C@@H]1CCO[C@@H]1C)C(=O)Nc1ccc(C)cc1	871888360	ACQZPACMIYUCIU-YUELXQCFSA-N	319.405	1.758	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1cc2occc2[nH]1	778437166	VIQGIDOWPBSYNL-UHFFFAOYSA-N	322.321	1.047	50	20	DDGD	
CCOc1cccc(F)c1C=NNC(=O)CN1CCCC1=O	872335616	SCTNCQRSMGIBIG-UHFFFAOYSA-N	307.325	1.297	50	20	DDGD	
CN(C)CC(=O)NNC(=O)CCCCC(=O)c1ccc(F)cc1	779380554	VSOBLRKRDFUDHB-UHFFFAOYSA-N	323.368	1.278	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NNC(=O)c1ccc[nH]1	1118905141	GRKKQZCRLCJNFK-SNVBAGLBSA-N	324.381	1.421	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)CCO1	776344977	LDOUMBSXJLYWAC-VXGBXAGGSA-N	320.393	1.720	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNc2ccccc2S(C)(=O)=O)CCO1	776476887	PQJPXDUOTFOOEM-MNOVXSKESA-N	312.391	1.348	50	20	DDGD	
C[C@H](C(=O)NNc1ccccn1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	777475290	YRLXDUCJSOZUNW-IJLUTSLNSA-N	316.361	1.088	50	20	DDGD	
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ncc(F)cn1	771438180	WGXVHQVEQXAZLV-SECBINFHSA-N	313.333	1.362	50	20	DDGD	
CCCCN1CCC(NC(=O)NNc2ccc(C#N)cn2)CC1	888031753	ZUBDGFNGBYLLET-UHFFFAOYSA-N	316.409	1.844	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)c1c[nH]c2ccccc12	1120519539	MKLPVPPFJGCUMG-SMDDNHRTSA-N	301.346	1.744	50	20	DDGD	
Cc1nc(C2CCCCC2)sc1C(=O)NNC(=O)CN(C)C	775608291	XNBOWCRREYGASJ-UHFFFAOYSA-N	324.450	1.822	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NNC(=O)C1CCOCC1	883068259	NHQCWXULGOGJFF-JSGCOSHPSA-N	312.410	1.546	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CCC[C@H]2OC)c(F)c1	1120742896	KBSNTJOLMGAMET-GXFFZTMASA-N	310.325	1.871	50	20	DDGD	
Cc1cc(=NNC(=O)c2ccn(CCC(F)(F)F)n2)cc[nH]1	1123931392	PXIYCIWJGCYOFD-UHFFFAOYSA-N	313.283	1.718	50	20	DDGD	
COc1ccc(NNC(=O)CNC(=O)C2CCCCC2)nc1	781519739	UNTSXPCXCTVTBU-UHFFFAOYSA-N	306.366	1.230	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@H](c1cccs1)C1CC1	883089138	BDZPOKXHQGEMHF-ZDUSSCGKSA-N	323.418	1.956	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1ccc(F)c(F)c1	885112820	FEYUTZZTXOPVRA-UHFFFAOYSA-N	301.293	1.934	50	20	DDGD	
CC(C)(C#N)CNC(=O)NNC(=O)c1cccc2ncccc12	781954834	YCISAIAPEAKKGN-UHFFFAOYSA-N	311.345	1.729	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(OC)c(COC)c1	880667853	JVHGWGJRMLCWTP-UHFFFAOYSA-N	310.354	1.539	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N[C@@H]1CCCC[C@@H]1C(N)=O	781099347	UQAMOUUZZMTBCG-IVZWLZJFSA-N	319.243	1.956	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)[C@H]1CCC(=O)c2cccn21	788741502	HTZSXMKKGLBIJM-MRVPVSSYSA-N	303.240	1.106	50	20	DDGD	
C=C/C=C/CCNC(=O)NNC(=O)COc1ccc(C)cc1	883913251	PDIQHGGZNDVXSF-SNAWJCMRSA-N	303.362	1.837	50	20	DDGD	
C#CCSCC(=O)NNC(=O)c1ccc(OCC)c(OC)c1	895505235	PSDBDWJVJDQUSR-UHFFFAOYSA-N	322.386	1.221	50	20	DDGD	
CC(C)C(C)(C)C(=O)NNC(=O)Cn1cnc2ccccc21	784295725	UGCGXXRFCZOQJA-UHFFFAOYSA-N	302.378	1.866	50	20	DDGD	
CC(C)c1ccc(NNC(=O)NCCN2CCNC2=O)cc1	891076403	XJXQFYGCSZBPMY-UHFFFAOYSA-N	305.382	1.461	50	20	DDGD	
CN(C)[C@@H]1CCC[C@@H](NC(=O)NNc2ncncc2Cl)C1	781009875	PRDVLZBFLMIYDV-NXEZZACHSA-N	312.805	1.629	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N=S1(=O)CCOCC1	891366436	CQWSORGKPUHJSV-FMIVXFBMSA-N	306.343	1.324	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC[C@H](C(N)=O)C1	781070973	NNAMULUJDWNEMZ-DTWKUNHWSA-N	305.216	1.520	50	20	DDGD	
Cc1cnc(Cl)c(NC(=O)NNC(=O)c2c[nH]nc2C)c1	787448105	JQBIKISTURGLPR-UHFFFAOYSA-N	308.729	1.541	50	20	DDGD	
O=C(NNC(=O)c1c[nH]nc1C1CC1)c1ccc2c(c1)OCO2	789727398	LNVRJTAIOPOKKJ-UHFFFAOYSA-N	314.301	1.091	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CN(C)C)cc(OC)c1C(C)C	781423410	VBXVGDGWZQEJKP-UHFFFAOYSA-N	323.393	1.150	50	20	DDGD	
O=C(NNC(=O)c1cccnc1O)c1cc(-c2ccccc2)on1	789904454	PFADXOLGPSRLMZ-UHFFFAOYSA-N	324.296	1.517	50	20	DDGD	
Nc1c(C(=O)NNc2ncncc2Cl)cccc1[N+](=O)[O-]	781837227	WMPWCWTWKZLVSM-UHFFFAOYSA-N	308.685	1.377	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2sc(C)nc2C)n1	890334583	FDYXOVLZVZQCOS-UHFFFAOYSA-N	304.375	1.467	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(C(=O)N(CC)CC)cc1	780705129	AZYWTTVPPQZTNW-UHFFFAOYSA-N	320.393	1.475	50	20	DDGD	
CC1(C)COc2c(C(=O)NNC(=O)c3cccnc3)cccc21	788727968	YMXBUMVSDVEQCT-UHFFFAOYSA-N	311.341	1.826	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(-c2ccccc2)nn1	785861473	ZUVDEAWYBNCRGS-UHFFFAOYSA-N	314.349	1.841	50	20	DDGD	
O=C(Cc1ccn(CC(F)(F)F)n1)NNc1ccc(F)cn1	899921896	NWIUHZBFKWVFBS-UHFFFAOYSA-N	317.246	1.665	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CCOc2cc(F)ccc21	794911415	FRSPIAXSMFMFFB-UHFFFAOYSA-N	321.352	1.733	50	20	DDGD	
O=S(=O)(c1cc2ccccc2s1)N1CC[C@H](B(O)O)C1	899571609	ZGRSHMSYSLGKDD-JTQLQIEISA-N	311.193	1.139	50	20	DDGD	
N#CC1(CNC(=O)NNC(=O)NCc2ccc(Cl)cc2)CC1	797580936	JOHLRAXSGNENOK-UHFFFAOYSA-N	321.768	1.657	50	20	DDGD	
O=C(NN=Cc1nc(-c2ccccc2)no1)c1ccc(O)c(O)c1	794556344	WILKPYQVZYFGQZ-UHFFFAOYSA-N	324.296	1.912	50	20	DDGD	
COc1nc2ccccc2cc1/C=C(/C#N)S(=O)(=O)N(C)C	794957357	AXDVMFHYGSLPIZ-LCYFTJDESA-N	317.370	1.999	50	20	DDGD	
O=C(CC1OCCO1)NNc1ccc(Br)c(F)c1	793840343	ZMJOVLYAQJFERT-UHFFFAOYSA-N	319.130	1.794	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1ccn(CC(F)F)n1	798312391	CQHTYRNUTXQSAM-UHFFFAOYSA-N	323.303	1.923	50	20	DDGD	
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CCl	1319676012	MSVUBZCUNSRMPQ-UHFFFAOYSA-N	312.753	1.484	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1oc2ccc(OC)cc2c1C	1323495366	FGXPUTZWCPLRTJ-UHFFFAOYSA-N	304.302	1.763	50	20	DDGD	
Cc1nc2ccc(S(=O)(=O)NNC(=O)C3CCCC3)cc2o1	1326176877	JDSSZFDYXQMIBJ-UHFFFAOYSA-N	323.374	1.636	50	20	DDGD	
COCCc1nc(C)c(C(C)=NNC(=O)c2cccnn2)s1	1330908911	OPTIKPSADIHSCT-UHFFFAOYSA-N	319.390	1.584	50	20	DDGD	
C[C@H]1C[C@H](c2ccccc2)N(C(=O)NNC(=O)c2cn[nH]c2)C1	1331537220	QMTABNPWBDJQIL-SMDDNHRTSA-N	313.361	1.847	50	20	DDGD	
Cc1nc([C@@H]2CCOC2)sc1C(=O)NNc1ncccn1	1331856172	CGRQXHOCHGIQMJ-SECBINFHSA-N	305.363	1.502	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1ccc(F)c2cccnc12	1262605864	QSBQDIAPECCHHS-UHFFFAOYSA-N	318.308	1.061	50	20	DDGD	
CC1(C)C[C@](C)(NC(=O)NNc2ncc(F)cc2F)C(=O)O1	1347006697	UYIOKXBGGPGLJU-ZDUSSCGKSA-N	314.292	1.470	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)c1cnc(C2CC2)[nH]1	1349824488	ICZXBWZQLRZOGD-UHFFFAOYSA-N	323.154	1.597	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1nc(C2CC2)cs1	1347394896	NHZOLGSCAMGMMW-UHFFFAOYSA-N	306.347	1.758	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1CCC[C@H]1OC	1353690092	SYHOZMQLTOZMHV-TZMCWYRMSA-N	306.362	1.200	50	20	DDGD	
O=C(Cc1ccc2c[nH]nc2c1)NNc1ccccc1C(=O)O	1601362898	GYZKDELCPIEEBU-UHFFFAOYSA-N	310.313	1.947	50	20	DDGD	
Cc1cccc(NNC(=O)NCc2cc(C(=O)O)c(C)o2)n1	1600542253	FAORRCQBKYMWRR-UHFFFAOYSA-N	304.306	1.816	50	20	DDGD	
CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)NNC(=O)C(=O)O	1604966032	PKAVVWUZVMYGFG-SNVBAGLBSA-N	323.349	1.087	50	20	DDGD	
O=C(O)[C@@H](CCF)NC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	1601645980	XLPMHPNHIDXCEP-FNOROQBZSA-N	322.174	1.869	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=Cc1ccc(C(=O)O)o1	1603300668	VDQBEGYNXYAOPY-UHFFFAOYSA-N	323.349	1.370	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1ccc(-n2cncn2)nc1	1608482797	MEYBJXXOEFVOQG-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
N#C/C(=C\c1ccc(-c2nn[nH]n2)cc1C(F)(F)F)C(N)=O	1606336284	XGFASLWIRPMIKA-FPYGCLRLSA-N	308.223	1.278	50	20	DDGD	
O=C(O)Cc1occc1C(=O)NNc1cnnc2ccccc12	1602155555	UMHOJJXEGZHVMG-UHFFFAOYSA-N	312.285	1.607	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@H](C(=O)NNc2ccc(CC(=O)O)cc2)C1	1608230492	CAQRYRRZSLVODT-NEPJUHHUSA-N	319.361	1.049	50	20	DDGD	
CC(=NNC(=O)C(=O)O)c1oc2cc(C)ccc2c1CC(=O)O	1609553247	RXKZQESNRQAPAR-UHFFFAOYSA-N	318.285	1.293	50	20	DDGD	
CC(CCC(=O)O)=NNC(=O)Cn1c(C)nc2ccccc21	1604129423	BNHYRIGUTUPQRB-UHFFFAOYSA-N	302.334	1.702	50	20	DDGD	
CSc1ccc2c(c1)CCCC2=NNC(=O)NCC(=O)O	1607410713	KFANSYKAPDCSCY-UHFFFAOYSA-N	307.375	1.833	50	20	DDGD	
CC(C)C1(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)COC1	1603746371	TXNHPSPXLJBPEC-UHFFFAOYSA-N	309.274	1.871	50	20	DDGD	
CCO[C@@H](C(=O)NNc1ccc(C(=O)O)cc1OC)C(C)C	1605586242	BKGAKARCXPBVOQ-CYBMUJFWSA-N	310.350	1.898	50	20	DDGD	
O=C(O)COc1cccc(C(=O)NNc2cccc(Cl)n2)c1	1610787936	WEBBYQVHMIWPGW-UHFFFAOYSA-N	321.720	1.955	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)c1ccc(C(=O)O)o1	1610200107	XASOPGAJJDTZHQ-UHFFFAOYSA-N	322.248	1.660	50	20	DDGD	
Cn1ncnc1C=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccccc1	1549084688	UMMLWHCCJMUUOG-UKRRQHHQSA-N	313.361	1.433	50	20	DDGD	
CC#CC[C@@H](N)C(=O)NNC(=O)Nc1ccc(C)cc1Cl	1574971790	IJOKDTGRDOGEOA-LLVKDONJSA-N	308.769	1.542	50	20	DDGD	
N[C@H]1CC[C@@H](C(=O)NNc2nnc(-c3ccccn3)s2)CC1	1580414823	BYLFNAJISGSURS-AOOOYVTPSA-N	318.406	1.561	50	20	DDGD	
N[C@@H](C(=O)NNC(=O)C1CC1)c1cccc(C(F)(F)F)c1	1580114978	HXTDYKAGMWGGCA-SNVBAGLBSA-N	301.268	1.263	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NC[C@]1(C(=O)O)CCOC1	1589700539	ZBYSOHILIYQBEQ-PRHODGIISA-N	322.199	1.404	50	20	DDGD	
CC(C)n1ccnc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1589783488	XMYKBXUDCMAFSR-UHFFFAOYSA-N	312.337	1.401	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1c[nH]nc1C)C2	1845165767	GJMGSEAYSJQJQO-GFCCVEGCSA-N	324.812	1.553	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)NCC(=O)O)c(C)c1OC	1599505096	DTKNBLIGCMTQSW-UHFFFAOYSA-N	309.322	1.120	50	20	DDGD	
Cc1cnc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1C	1592290433	RIFYRTMALGUVQO-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NN[C@H](C(=O)O)C2CC2)cc1	1597129455	AMJKPXKLTBBGKN-YGRLFVJLSA-N	322.361	1.337	50	20	DDGD	
C[C@H]1COCC[C@H]1NC(=O)NNc1ccc(C(=O)O)cc1F	1594604532	QNUVRPDHRYNYSR-GZMMTYOYSA-N	311.313	1.575	50	20	DDGD	
CC[C@@H]1[C@@H](C(=O)NNc2ccc(F)c(C(=O)O)c2)CCN1C	1597308738	ADKDAMGNWUFHLV-GXFFZTMASA-N	309.341	1.697	50	20	DDGD	
N#Cc1ccc(C(=O)O)c(C=NNC(=O)NCC(F)(F)F)c1	1776036507	SIRQRDPYLSYNKU-UHFFFAOYSA-N	314.223	1.452	50	20	DDGD	
CCC(=NNC(=O)c1ccnnc1)c1cc(C(=O)O)ccc1F	1776081143	AUMQGANICKBMRB-UHFFFAOYSA-N	316.292	1.858	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=Cc1cc(C(=O)O)c(C)cc1C	1776102682	VXEZZSJFABANAQ-UONOGXRCSA-N	304.346	1.877	50	20	DDGD	
CCC(=NNC(=O)c1cccnn1)c1cc(C(=O)O)ccc1F	1776103267	AXHUYTOVBYBKDO-UHFFFAOYSA-N	316.292	1.858	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1c(C(=O)O)cnn1C	1776119712	JLAQCFBEJILDIH-QRULVBPYSA-N	316.361	1.720	50	20	DDGD	
Cn1ncc(C(=O)O)c1C=NNC(=O)Cc1ccc(Cl)cc1	1776024190	FJWJRMPJMOUTQE-UHFFFAOYSA-N	320.736	1.465	50	20	DDGD	
Cc1cccc(OCCCC(=O)NNC(=O)c2cc(C)n[nH]2)c1	153121336	LPZJIZINXODUOO-UHFFFAOYSA-N	316.361	1.647	50	20	DDGD	
O=C(COc1ccc2c(c1)CCCC2)NNC(=O)c1ccc[nH]1	157198534	BVNFXVCKXQVRGZ-UHFFFAOYSA-N	313.357	1.734	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CCOC[C@H]2CCCO2)c1	155912904	IEXFCOVIQBYRCI-CYBMUJFWSA-N	312.341	1.863	50	20	DDGD	
Cc1nc(N(C)C)sc1C(=O)NNC(=O)c1ccccc1	154768745	HHSNIXLQBSNIGA-UHFFFAOYSA-N	304.375	1.592	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@H]1CCN1C(=O)OC(C)(C)C	495569503	PMWPIJHHFMPYQJ-SECBINFHSA-N	315.370	1.552	50	20	DDGD	
CSSCCNC[C@H](O)c1ccc(S(C)(=O)=O)cc1	397780313	OOBYWTCFQOUOGB-LBPRGKRZSA-N	321.489	1.724	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1ccc(OC(F)(F)F)cc1	7409899	ALNJNXKZXBELRZ-UHFFFAOYSA-N	312.269	1.305	50	20	DDGD	
Cc1cc(C)c(C)c(S(=O)(=O)NNC(=O)c2ccc[nH]2)c1C	108464731	SFYBHQBWIYGTBB-UHFFFAOYSA-N	321.402	1.872	50	20	DDGD	
CNC(=O)NNC(=O)c1cccnc1Nc1ccccc1F	56375500	KAKNKDZTYBLUGY-UHFFFAOYSA-N	303.297	1.538	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cc(=O)c2ccccc2o1	103424801	UVFOEPZEUKMLIH-UHFFFAOYSA-N	323.308	1.192	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNC(=O)c1cccc(Cl)c1	29654026	GQQNGSWLNQKXHL-UHFFFAOYSA-N	306.753	1.765	50	20	DDGD	
CCCCO[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc[nH]2)C1(C)C	175915347	UMAFEHGJBUITKD-QWHCGFSZSA-N	322.409	1.943	50	20	DDGD	
CSc1ccc(C(=O)NNC(=O)COc2ccc(F)cc2)o1	112268535	GQMSLJMDGRIUIC-UHFFFAOYSA-N	324.333	1.981	50	20	DDGD	
CC(=O)c1csc(C(=O)NNc2ncnc3nc[nH]c23)c1	173938740	NHPRLFFIFCSYQN-UHFFFAOYSA-N	302.319	1.374	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccccc1O	23566866	WOAOYYWRXWHWHF-SNVBAGLBSA-N	318.304	1.760	50	20	DDGD	
O=C(CC[C@H]1Cc2ccccc2NC1=O)NNc1cnccn1	114878818	FVFBZEDNQDUKJS-LBPRGKRZSA-N	311.345	1.511	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CSC[C@H]2CCCCO2)o1	175831435	ZDYWXKVDOKLCJN-LLVKDONJSA-N	312.391	1.651	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cn1	117680850	ZBANQCSCMPHMNS-UHFFFAOYSA-N	323.696	1.057	50	20	DDGD	
COc1ccc(C[C@H](C)C(=O)NNC(=O)c2ccncc2)cc1	121371262	YNXGIPOJWHSLDC-LBPRGKRZSA-N	313.357	1.730	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@H]1CCc2[nH]ncc2C1	122200819	XUKBEUDCWZFJIB-QMMMGPOBSA-N	307.745	1.037	50	20	DDGD	
O=C(NNC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1ccccc1	36112763	RMFQANPAHHRMKY-PBWFPOADSA-N	300.358	1.843	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1ccc(CS(C)(=O)=O)cc1	127547373	PMIUKGBMZZPQKY-UVTDQMKNSA-N	322.386	1.291	50	20	DDGD	
Cc1cn2c(=O)c(C(=O)NNc3ccnc(F)c3)cnc2s1	182528182	PNPIZDHHZHQJPG-UHFFFAOYSA-N	319.321	1.355	50	20	DDGD	
CC(C)COCCCNC(=O)NNc1cncc(Cl)n1	121370007	STLKGVGUKWPKEJ-UHFFFAOYSA-N	301.778	1.819	50	20	DDGD	
CCc1nc(-c2ccc(C(=O)NNC(=O)NC(C)C)cc2)n[nH]1	124490983	PJKXFODDIDUFRD-UHFFFAOYSA-N	316.365	1.387	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1	126071690	KWSQPAGTCXZOGB-UHFFFAOYSA-N	311.769	1.862	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)c1ccoc1	186064076	KIWLTKMTDCPUGV-UHFFFAOYSA-N	310.331	1.449	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	182434015	BSJALCKTIZMOBJ-UHFFFAOYSA-N	321.224	1.794	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCc2ccccn2)c1	73117778	VONIVAFBELHPAX-UHFFFAOYSA-N	314.345	1.299	50	20	DDGD	
O=C(COc1ccc2ccccc2c1)NNC(=O)[C@@H]1CCCO1	32262535	IFRTUGJHINZVAY-HNNXBMFYSA-N	314.341	1.545	50	20	DDGD	
CSc1ccccc1NC(=O)NNC(=O)c1cnn(C)c1	182800870	NQBSMAAAFKWQJC-UHFFFAOYSA-N	305.363	1.609	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC=C(C#N)C#N)cc1	78608366	XYWQCQNMUXTZQR-LLVKDONJSA-N	300.318	1.404	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)NCc1cccs1	73117542	YRCJHIFHOJBRBJ-UHFFFAOYSA-N	323.349	1.797	50	20	DDGD	
COc1ccc(C)cc1NC(=O)NNC(=O)c1cnn(C)c1	182782565	QRPCJRWMCXGXBJ-UHFFFAOYSA-N	303.322	1.204	50	20	DDGD	
Cc1cc2c(cc1C)[C@@H](C(=O)NNC(=O)c1cccnc1)CO2	184724348	WDECGKOCONCCNK-AWEZNQCLSA-N	311.341	1.636	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2cc(Cl)ccn2)CN1C1CC1	181443585	HWKGIDHDKSHQHL-GXSJLCMTSA-N	309.801	1.986	50	20	DDGD	
C[C@@H]1CCC[C@@H](C)C1NCC(=O)NNC(=O)c1ccccc1	182718416	UEGDBAJKCCBFRF-CHWSQXEVSA-N	303.406	1.862	50	20	DDGD	
CC(C)c1cccc(NC(=O)NNC(=O)Cc2cc[nH]n2)c1	183054821	HKZUWWJCVJUUGS-UHFFFAOYSA-N	301.350	1.929	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNc1nc2ccccc2c(=O)[nH]1	137183280	DVUXALPRMSKLAG-JTQLQIEISA-N	302.334	1.347	50	20	DDGD	
CN(C)C(=O)N1CCC(C(=O)NNc2ccnc(F)c2)CC1	182415298	BNTONVSWAMDZIR-UHFFFAOYSA-N	309.345	1.057	50	20	DDGD	
O=C(CN1CCCCC1=O)NNc1ccc(C(F)(F)F)cn1	131765668	QJQCJNHQHPGENM-UHFFFAOYSA-N	316.283	1.556	50	20	DDGD	
Cc1ccc(C(=O)C(=O)NNC(=O)CCc2ccccc2)cc1	132567750	URMROIIMHDZQSG-UHFFFAOYSA-N	310.353	1.958	50	20	DDGD	
O=C(CCCOc1ccc(F)cc1)NNC(=O)c1ccncc1	192773102	IAYUAISKNGUGDH-UHFFFAOYSA-N	317.320	1.841	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Nn2cnc3ccccc32)n1	83157094	YZPPVPHDSHIYPP-UHFFFAOYSA-N	313.321	1.424	50	20	DDGD	
C[C@@H](CO[C@@H]1CCOC1)NC(=O)NNc1cccc(C#N)c1	131169605	HUNRFSKEEWYZJI-SMDDNHRTSA-N	304.350	1.378	50	20	DDGD	
O=C(CCc1cc(F)ccc1F)NNC(=O)Cc1ccncc1	81026006	FUPFPNPSTJPCDM-UHFFFAOYSA-N	319.311	1.683	50	20	DDGD	
CCOCCCCNC(=O)NNC(=O)c1cccc(N(C)C)c1	194562013	XSMXOBJTQAEDFN-UHFFFAOYSA-N	322.409	1.513	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C[C@@H]2C=CCC2)cc1	140947637	JODKLAUZFIPZPH-GFCCVEGCSA-N	303.362	1.611	50	20	DDGD	
Cc1c(C(=O)NNC(=O)OC(C)(C)C)cnn1-c1ccncc1	90068928	AKBYWQJIBBZYOC-UHFFFAOYSA-N	317.349	1.745	50	20	DDGD	
COC(=O)C[C@@H](C)C(=O)NN=c1sc2ccccc2n1C	255542026	PGUYZLUXUXTIAO-SECBINFHSA-N	307.375	1.371	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@H]1CCN(CC(F)(F)F)C1	269483951	PTUGRBLGNLJHBV-MXBGMFSPSA-N	305.300	1.431	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)n1nnc(-c2ccccc2)n1	266276545	SYGLCYCJQJNOHJ-NSHDSACASA-N	316.365	1.095	50	20	DDGD	
Cc1csc(=O)n1CCC(=O)NNc1ccc(Cl)nc1	266563710	VYAIREQZJRXDIF-UHFFFAOYSA-N	312.782	1.800	50	20	DDGD	
CN1C[C@H](NC(=O)NNc2ccccc2C(F)(F)F)CC1=O	267493211	KRRMHBPQTYRLTP-MRVPVSSYSA-N	316.283	1.562	50	20	DDGD	
COCc1c(C(=O)NNC(=O)C2CC2)cnn1-c1ccccc1	274307963	WAQZNSNXKZBXOP-UHFFFAOYSA-N	314.345	1.190	50	20	DDGD	
CCNC(=O)N(C)NC(=O)COc1cccc(C(F)(F)F)c1	272701327	UOAPORBIHLLMOF-UHFFFAOYSA-N	319.283	1.777	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCc2cnn(C)c2C)c1	272845637	RFQACHBRLONBBL-UHFFFAOYSA-N	316.361	1.591	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(C)n(-c2ccccn2)c1C	272714696	YMQQCHNZSGMWBN-UHFFFAOYSA-N	315.377	1.795	50	20	DDGD	
O=C1CSc2ccc(NC(=O)NNC(=O)C3CC3)cc2N1	274099573	OPXOQMONBDYLMM-UHFFFAOYSA-N	306.347	1.294	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H](C)n2nnnc2C(C)(C)C)c1	273458596	QDSJRHPZBXXMCG-NSHDSACASA-N	302.382	1.983	50	20	DDGD	
CCOC(=O)Cc1cccc(NC(=O)NNC(=O)[C@H](C)CC)c1	273515358	SMFWHCVONWDULM-LLVKDONJSA-N	321.377	1.991	50	20	DDGD	
COc1ccc(NNC(=O)c2c(C)nn(CCCl)c2C)nc1	275456789	CZTBJIGFCLMXRU-UHFFFAOYSA-N	323.784	1.899	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H]1COCCN1C1CCCC1	281511496	GSWNOKODKSETOS-AWEZNQCLSA-N	304.394	1.477	50	20	DDGD	
COCC1(C(=O)NNC(=O)Cc2ccccc2OC)CCC1	284592157	HXZGNTILWLWOOF-UHFFFAOYSA-N	306.362	1.202	50	20	DDGD	
C[C@@H](CN(C)C)NC(=O)NNC(=O)c1c[nH]c2ccccc12	287962969	IBBACPSUOPFHPG-JTQLQIEISA-N	303.366	1.062	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1cccc(N2CCC2=O)c1	280431319	JDRRSPDFJKTYQG-UHFFFAOYSA-N	320.349	1.985	50	20	DDGD	
CC1(CCNC(=O)NNC(=O)c2ccc3c(c2)OCCO3)CC1	280532607	YQHOLGCJMVMYKQ-UHFFFAOYSA-N	319.361	1.592	50	20	DDGD	
COC(=O)N(C)NC(=O)CSc1ccc(C(F)(F)F)cn1	286458854	SUFXRVRSBRIHGR-UHFFFAOYSA-N	323.296	1.922	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)Nc2ccccc2)C1	283804803	WGKXFTMKRHCLTQ-VXGBXAGGSA-N	319.361	1.819	50	20	DDGD	
Cc1cccc(=O)n1C[C@](C)(O)C(=O)NNc1cccc(F)c1	281748621	YETLXDPXMMQQTQ-INIZCTEOSA-N	319.336	1.190	50	20	DDGD	
O=C(C[C@@H]1CCCCO1)NNc1ccc(-n2ccnc2)nn1	286640798	NTFPRYKYXKLZPV-NSHDSACASA-N	302.338	1.065	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNc1ccc2c(O)nccc2c1	285812496	VUJJDODOHHMDKV-GFCCVEGCSA-N	307.375	1.498	50	20	DDGD	
CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)NNc2cccc(F)n2)C1	286590806	OBPLNDZMCBJKJH-SECBINFHSA-N	324.312	1.150	50	20	DDGD	
NC(=O)NNc1nc([C@@H]2CCCN2C(=O)C(F)(F)F)cs1	800722165	XOWCIGPPBFBNBH-LURJTMIESA-N	323.300	1.364	50	20	DDGD	
CC(C)[C@H](NC1CCOCC1)C(=O)NNc1cccc(F)n1	807748383	ISVADQUVHHEIML-AWEZNQCLSA-N	310.373	1.457	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)c2cc3c(s2)CCC3)C1	805151762	XHHLHIFKUXGBQC-UHFFFAOYSA-N	308.403	1.813	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNC(=O)Nc2ccccc2)n1	801991607	UOXHXYZVTJEEEM-UHFFFAOYSA-N	314.301	1.335	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(F)cc(Cl)c1O	295690510	ZCNSGHWRUNECCS-SNVBAGLBSA-N	316.716	1.515	50	20	DDGD	
O=C(NNc1cccc(F)n1)C(=O)Nc1nc2c(s1)CCC2	807391313	MOOHCJLVOPIEMM-UHFFFAOYSA-N	321.337	1.248	50	20	DDGD	
CCc1nc2ccc(Cl)cn2c1C(=O)NNC(=O)N(C)C	291532598	NTBQNDWJRHJQLU-UHFFFAOYSA-N	309.757	1.466	50	20	DDGD	
CC(=NNC(=O)c1ccncc1)c1cccc(-n2ccnn2)c1	807941219	UCEPYUVIYOZFCM-UHFFFAOYSA-N	306.329	1.816	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1	294081467	HXYUZHQHWRPGOD-NSHDSACASA-N	319.336	1.126	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)C2(C#N)CCCC2)cc1	802124435	MVWAWNOIAOGQJU-UHFFFAOYSA-N	315.377	1.989	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)CCCOc2ccc(F)cc2)O1	294381084	WOIUMVBGQXWGCF-FZMZJTMJSA-N	324.352	1.700	50	20	DDGD	
Cc1ccc(C(F)(F)C(=O)NNC(=O)[C@H]2CCCCO2)cc1	295271574	BVNUTNFPXGSJMW-GFCCVEGCSA-N	312.316	1.803	50	20	DDGD	
CCC[C@]1(CO)CCN(S(=O)(=O)CBr)C1	808349744	ITUNPQDUXANNCE-VIFPVBQESA-N	300.218	1.153	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NNc1ccc(OCC)cc1	294269301	IGICGEOAQYPGSA-UHFFFAOYSA-N	300.380	1.353	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)CCn2cccn2)cc1C	298205384	CWOCORAMSGLXFJ-UHFFFAOYSA-N	316.361	1.902	50	20	DDGD	
Cn1cc(-c2nc(C(=O)NNc3cccc(F)n3)cs2)cn1	804765199	JNXCJVVVXCNQBZ-UHFFFAOYSA-N	318.337	1.835	50	20	DDGD	
CCC(CC)n1nccc1C(=O)NNC(=O)N=c1cc[nH]cc1	802026333	PYQZIJSKOPHGDT-UHFFFAOYSA-N	316.365	1.528	50	20	DDGD	
CC(=O)N1CCC(C(=O)NNc2nccnc2C2CCC2)CC1	805468918	BOGORIVFQPQBSP-UHFFFAOYSA-N	317.393	1.446	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@]12CCc1ccccc12)[C@@H]1CCCCO1	295269846	BTDOGNHXYAXTFF-RLFYNMQTSA-N	314.385	1.607	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)n1	809981288	GDVSFYGEHUPGOK-UHFFFAOYSA-N	314.732	1.610	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNC(=O)c2ccccc2F)cn1	806294031	IYJGHMYLEQKALY-UHFFFAOYSA-N	316.336	1.988	50	20	DDGD	
CC(Cc1ccc(F)cc1Br)=NNC(=O)CO	814896211	OJBZCIHWTSCZCV-UHFFFAOYSA-N	303.131	1.615	50	20	DDGD	
CS(=O)(=O)CC1CCC(=NNC(=O)c2ccncc2)CC1	814682850	RLPNJRLVWREKLH-UHFFFAOYSA-N	309.391	1.402	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NN=C(C)c1cnnn1C	814789280	BIWZOQHESDHIOJ-UHFFFAOYSA-N	307.741	1.631	50	20	DDGD	
Cc1cc(C)nc(NC(=O)C(=O)NNc2cccc(Cl)n2)c1	815726114	PJZKKIMRLLPPQL-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
CCOc1ccc(NNC(=O)C(=O)Nc2ncc(C)s2)cc1	815816154	KEYXJWDCUYDCJO-UHFFFAOYSA-N	320.374	1.932	50	20	DDGD	
COc1cccc(C2(C(=O)NNc3ncncc3F)CC2)c1	817080978	LTOZTIZEESOTAK-UHFFFAOYSA-N	302.309	1.799	50	20	DDGD	
COc1ccc2c(c1OC)OCC2=NNC(=O)c1cccn1C	814779843	SOHWNJUJFHSWAQ-UHFFFAOYSA-N	315.329	1.569	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccnnc1	817693262	LRJONZRZULOBHZ-YNEHKIRRSA-N	302.378	1.844	50	20	DDGD	
C[C@H]1C(=NNC(=O)c2ccnc(N(C)C)c2)CC[C@H]1CC(=O)O	814844492	LDBFXLGOMFIBAM-MNOVXSKESA-N	318.377	1.754	50	20	DDGD	
CS/C=C/C(=O)NNc1ccccc1S(=O)(=O)N(C)C	817054949	FYYVJPMCOIXRKC-CMDGGOBGSA-N	315.420	1.257	50	20	DDGD	
O=C(NCC1CC1)NN=Cc1ccc(N2CCOCC2)c(F)c1	727255487	OOCUSDFRFJQCMY-UHFFFAOYSA-N	320.368	1.705	50	20	DDGD	
CCC1(CC)C(=O)NCCC1=NNC(=O)c1ccc(O)cc1	819801949	WIKSSXHYUIGEGM-UHFFFAOYSA-N	303.362	1.804	50	20	DDGD	
O=C(NN=Cc1cccc(OC(F)(F)F)c1)N1CCOCC1	727971044	MWHCWOTYLWQLME-UHFFFAOYSA-N	317.267	1.961	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2	829227051	DNRKWCMJCYHREV-IACUBPJLSA-N	323.437	1.117	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)NNc1cccnn1	495958939	XYZFETOYHITWKM-UWVGGRQHSA-N	309.370	1.469	50	20	DDGD	
COc1ccc2cc(C(=O)NNC(=O)Cc3cccnc3)[nH]c2c1	728892368	VZYBMOZZSANYSK-UHFFFAOYSA-N	324.340	1.575	50	20	DDGD	
CCN(CCO)NC(=O)C[C@](O)(c1ccc(C)o1)C(F)(F)F	823870006	VMVFEUUYENIHRB-LBPRGKRZSA-N	324.299	1.073	50	20	DDGD	
Cc1ccc(C[C@H](CO)NC(=O)/C(C#N)=C\c2cnn(C)c2)cc1	491163332	WEPORUWBVJYIFX-BOVGMKJQSA-N	324.384	1.355	50	20	DDGD	
CCCCC[C@H](O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	822293038	ITHVOYGVPVNMRB-LBPRGKRZSA-N	322.361	1.160	50	20	DDGD	
CCOC(=O)NNC(=O)c1cn(-c2ccc(Cl)cc2)nn1	490578691	HQOVMTNDJQZNJK-UHFFFAOYSA-N	309.713	1.312	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNC(=O)COc1ccc(C)cc1	820631223	VXENQCSKMWYDPC-ZDUSSCGKSA-N	303.362	1.506	50	20	DDGD	
CNC(=O)Oc1cccc(NC(=O)NNC(=O)C(C)(C)C)c1	497260399	BJDLEOGULIENJB-UHFFFAOYSA-N	308.338	1.604	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Cn1nc(C(F)F)cc1C1CC1	823201713	BXURIWCMZIEFGO-UHFFFAOYSA-N	312.320	1.646	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(-n2nc(C)cc2C)cc1	823833705	GFSMYPBVMIJKNX-UHFFFAOYSA-N	302.378	1.448	50	20	DDGD	
CCC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1ccc(C)cc1	728437770	WWBSMPKUJPALLM-NSHDSACASA-N	311.407	1.163	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@H]1CCCN(CCc2ccccc2)C1	824627184	JFDMJQWBLMUFKV-HNNXBMFYSA-N	318.421	1.244	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cccc(Oc2cnccn2)c1	823951743	MQACLQCRLWYMKZ-LLVKDONJSA-N	302.334	1.226	50	20	DDGD	
Cn1cc(Br)c(C(=O)NNC(=O)CC(C)(C)C)n1	825726863	BRIZHOGUKWVIPK-UHFFFAOYSA-N	317.187	1.380	50	20	DDGD	
COC(=O)NNC(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1	495330107	CCALQPCNODBQRN-UHFFFAOYSA-N	324.337	1.107	50	20	DDGD	
O=C(Cc1csc(-c2ccccc2Cl)n1)NCB(O)O	585060947	IGXMKBDUILJREE-UHFFFAOYSA-N	310.571	1.134	50	20	DDGD	
C[C@H]1[C@H](C(=O)Nc2cccc(B(O)O)c2)CCN1c1ccccc1	584912118	CHBQIVBQKHOPME-SUMWQHHRSA-N	324.189	1.220	50	20	DDGD	
Cc1ccc2c(CCNCc3ccc(B(O)O)o3)cn(C)c2c1	585037479	ZEIOWZLSNVBYHK-UHFFFAOYSA-N	312.178	1.092	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1cnn2c1CCC2	822212186	FYOMAOKHXOWCGQ-UHFFFAOYSA-N	318.764	1.486	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2sccc2-c2nn[nH]n2)cc1	826386220	UYYGSWDCMQUHFS-UHFFFAOYSA-N	311.330	1.557	50	20	DDGD	
CC(C)(C)OC(=O)NCC1(C(=O)NNc2ncccn2)CC1	495891100	KDYJWOWWIBHAOL-UHFFFAOYSA-N	307.354	1.225	50	20	DDGD	
CSCCCCC(=O)NNC(=O)CNC(=O)OC(C)(C)C	494639162	CVOIAWNKQRTGAM-UHFFFAOYSA-N	319.427	1.192	50	20	DDGD	
COCCN(C)NC(=O)C1CCN(C(=O)OCC(C)C)CC1	495748800	JXEDSMKFLMRUOB-UHFFFAOYSA-N	315.414	1.100	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1CCN(CC(F)(F)F)C1	492134104	OKKJNVGXIRRUHE-MRVPVSSYSA-N	311.304	1.427	50	20	DDGD	
CO[C@H]1CCN(C(=O)NNC(=O)c2ccccc2C)C[C@H]1C	836191722	IXGARSYFSUBKHV-OCCSQVGLSA-N	305.378	1.706	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1SC	839513470	ZWSCZZPUIGXVRV-JTQLQIEISA-N	323.418	1.849	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCC1(C(=O)O)CCC1	738324643	YRUFATVKZAFHDK-UHFFFAOYSA-N	305.334	1.194	50	20	DDGD	
Cc1oc(-c2cccs2)nc1C=NNC(=O)[C@H]1CCC(=O)N1	905487997	JTMXOWVJAOHGAV-SECBINFHSA-N	318.358	1.440	50	20	DDGD	
CCc1c(C(=O)N2CC[C@@H](B(O)O)C2)cnn1C(CC)CC	585063810	HOMOSZJOZIFNNL-LLVKDONJSA-N	307.203	1.496	50	20	DDGD	
CC(=O)NC1CCN(C(=O)[C@@]2(C)C[C@H]2Br)CC1	906462941	TVOTVWFAXIRHGH-PWSUYJOCSA-N	303.200	1.287	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@@](F)(C(=O)O)C1	833015264	CCVLBKFIHFLMKW-ZDUSSCGKSA-N	317.748	1.378	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCOc3c(F)cccc32)cc1	585037210	UQWQJKHSGNLPJR-HNNXBMFYSA-N	301.126	1.119	50	20	DDGD	
CC(=O)Nc1ccsc1C=NNC(=O)c1sc(N)nc1C	735407143	VECCZSLMPSMJSZ-UHFFFAOYSA-N	323.403	1.818	50	20	DDGD	
CC(C)n1cnnc1CN(C)C(=O)[C@@]1(C)C[C@H]1Br	908368277	LVFMXXIWXBRYGC-SKDRFNHKSA-N	315.215	1.991	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCc2cnc(C)o2)cc1	838758306	PKDSSSQSHRMJIZ-UHFFFAOYSA-N	318.333	1.201	50	20	DDGD	
CN(C)[C@H](CNCc1ccc(B(O)O)o1)c1ccc(Cl)cc1	585026366	MPMYTNISBLLGNH-CQSZACIVSA-N	322.601	1.005	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)C2(N(C)C)CC2)c1	834658985	BHGNGKZXAZCGNJ-UHFFFAOYSA-N	305.382	1.317	50	20	DDGD	
CSCCNC(=S)NNC(=O)COCC1CCCC1	836781301	DWHGWEPDHVGXBW-UHFFFAOYSA-N	305.469	1.052	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@@H]2CCCC(=O)N2)c1F	837061473	HZTXRCNCSGHTBR-VIFPVBQESA-N	323.324	1.114	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNc1ccc(C(F)(F)F)nn1	839712439	IKUWTCQSSXBURF-SSDOTTSWSA-N	320.271	1.528	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1ccc(N2CCCC2)nn1	735686817	IQFXPEXXFWRJQQ-UHFFFAOYSA-N	319.756	1.277	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](c2ccccc2OC)C1	738338406	BNSKTHJQAZIEHY-CHWSQXEVSA-N	319.405	1.430	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	910161396	YVZDJEAGIGXKRD-QFOLPQNPSA-N	305.216	1.284	50	20	DDGD	
O=C(CC1(O)CCC1)NNc1cccc(Br)n1	837211588	BZFFAPVFWJOSIA-UHFFFAOYSA-N	300.156	1.592	50	20	DDGD	
CCOC(=O)c1cc(NC(=O)NNC(=O)OC)ccc1Cl	918053067	FQCBGIWJTAZEBI-UHFFFAOYSA-N	315.713	1.909	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H]1CCCN(CC(F)(F)F)C1	919809223	IIFOKQPBTOYYQX-JTQLQIEISA-N	309.332	1.454	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1ccc(C(=O)O)cn1	832980419	FCPJFACVJWDVOT-UHFFFAOYSA-N	313.313	1.092	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CC(C)(C)C[C@@H]2C)cc1	839661061	RUQWTGSRFXCMRD-ZDUSSCGKSA-N	303.406	1.876	50	20	DDGD	
Cc1cccnc1CCCNC(=O)NNC(=O)C1CCCC1	836425990	DVVJHTFCCPKNJU-UHFFFAOYSA-N	304.394	1.843	50	20	DDGD	
CCN1C(=O)C(=NNC(=O)c2ccccn2)c2cc(C)ccc21	917022369	JOJCJUOETPBVKY-UHFFFAOYSA-N	308.341	1.891	50	20	DDGD	
CCc1n[nH]cc1C(=O)NNC(=O)c1ccc2ccccc2n1	917894252	UUCIVJVNUUOZQM-UHFFFAOYSA-N	309.329	1.595	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)COc2ccccc2F)[nH]1	747628713	YFDGVYWYFFLNBO-UHFFFAOYSA-N	319.292	1.470	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CCC[C@H](N)C2)c1	841983760	VMZODXOLMJORET-NWDGAFQWSA-N	306.366	1.369	50	20	DDGD	
CC(C)(C)OC(=O)[C@@]1(C(=O)NNc2ccncn2)CC=CCC1	846235833	IXUDMLWIUCBCRP-INIZCTEOSA-N	318.377	1.988	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCCOC2CCC2)cc1	845017704	IQOZQDCASFGZAR-UHFFFAOYSA-N	321.377	1.597	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)Cc1nc(-c2ccc(F)cc2)cs1	910153252	YNINSXOCNDHHCV-SNVBAGLBSA-N	323.393	1.836	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)[C@H]2CCO[C@H]2C)[nH]c1C	842562834	ZKEIMGGJBZNOHH-JQWIXIFHSA-N	307.350	1.375	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCN(C2CCCCC2)C1	843979055	MBYGJCKGFHURBH-GUTXKFCHSA-N	323.437	1.213	50	20	DDGD	
CC1(C)[C@H]2OCCC[C@H]2[C@H]1NC(=O)NNC(=O)C1CCCC1	745860592	XSYPXAPLTHGXHK-XQQFMLRXSA-N	309.410	1.711	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)[C@@H]2CCO[C@H]2C)[C@@H](C)C1	842561516	LBVKJJJVSIQOAR-WUHRBBMRSA-N	310.394	1.883	50	20	DDGD	
O=C(NNC(=O)N[C@H]1CCCNC1)Nc1ccc(Cl)cc1	841942251	XXMQIRFIYPZZJD-NSHDSACASA-N	311.773	1.428	50	20	DDGD	
Cn1ccnc(NNC(=O)c2cc(Cl)nc(Cl)c2)c1=O	747942569	XVSCCZBYDWISPK-UHFFFAOYSA-N	314.132	1.239	50	20	DDGD	
O=C(NNc1cccc(Br)n1)NC1CCNCC1	841914571	GOTAXGYNRUWUIP-UHFFFAOYSA-N	314.187	1.222	50	20	DDGD	
CC[C@@H]1CN(C(=O)NNC(=O)c2cccc(C#N)c2)CCS1	743590195	QUULIYOKWSGIQK-CYBMUJFWSA-N	318.402	1.740	50	20	DDGD	
CC(C)OCc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	843647179	NLMDOWBBXILEAC-SWLSCSKDSA-N	320.389	1.798	50	20	DDGD	
COc1c(O)ccc(C=NNC(=O)[C@H]2CCO[C@H]2C)c1[N+](=O)[O-]	842548834	CSDVVJUNYKHGPD-WPRPVWTQSA-N	323.305	1.184	50	20	DDGD	
CCCCc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1	748247545	RHSHDKFBQBAZBP-UHFFFAOYSA-N	317.389	1.413	50	20	DDGD	
Cc1nccn1CCCCNC(=O)NNC(=O)CC(F)(F)F	745842884	RTDAGMKARVEMSZ-UHFFFAOYSA-N	321.303	1.255	50	20	DDGD	
Cc1ccc(C(=O)NNc2oc(C(C)C)nc2C#N)c(O)n1	746525988	SPTZJLNSMZAUSQ-UHFFFAOYSA-N	301.306	1.836	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1ccc(F)nc1	746202156	VFEKIEIKPDXERD-UHFFFAOYSA-N	300.253	1.423	50	20	DDGD	
Cc1cc(Cn2nnc(C(=O)NCC(Cl)Cl)c2C)on1	848384464	NMCPYHXDNMAEFH-UHFFFAOYSA-N	318.164	1.465	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1sccc1-n1cccc1	843976352	XVZIUUUTPSNPFG-MNOVXSKESA-N	319.386	1.725	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1cccc(C)c1	916364114	CVEGCAPATDJXCN-AWEZNQCLSA-N	303.406	1.804	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)OCCN2CCOCC2)c1	747680540	JVSVLRLFKPJTFD-RVDMUPIBSA-N	316.357	1.478	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)Cn1nc(C)cc1C)CC2	747630884	WJEHDTGSBMSMFD-UHFFFAOYSA-N	312.373	1.975	50	20	DDGD	
C[C@H]1COC[C@H]1NC(=O)NNc1ccc(OC(F)F)cc1	926001549	SHOKMHDWPLBSFF-GZMMTYOYSA-N	301.293	1.949	50	20	DDGD	
C[C@H](CNC(=O)NNc1cccc(Br)n1)C(=O)O	848583847	IGSIBILDRYJSTG-ZCFIWIBFSA-N	317.143	1.191	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@H]2CCCNCC2)cc1F	841979511	UEEMQTKUPVCUIF-JTQLQIEISA-N	324.356	1.381	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)N[C@@H]2CCSC2)cc1	743691674	QXORVEMFIBNJRH-LLVKDONJSA-N	323.422	1.594	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)C[C@@H]1CC[C@@H]2C[C@H]12	842255797	FIBIOVPGXMHORL-VWYCJHECSA-N	309.391	1.213	50	20	DDGD	
Cc1cn2c(C=NNC(=O)[C@@H]3CCO[C@@H]3C)c(C)nc2s1	842552882	CPIHZSXIPPCHKO-GHMZBOCLSA-N	306.391	1.888	50	20	DDGD	
O=C(NCCCNC1CC1)NNc1ccc2c(=O)[nH]ccc2c1	841918711	VATSDRXNIFUBGT-UHFFFAOYSA-N	315.377	1.296	50	20	DDGD	
Cc1csc([C@@H](C)CNC(=O)NNC(=O)CC(F)(F)F)n1	758686161	ZSHYYFYXJNKUBK-LURJTMIESA-N	324.328	1.838	50	20	DDGD	
CN(C)c1nc(Cl)c(C=NNC(=O)NCC2CC2)s1	920828333	DLYJDZVDXJUBKE-UHFFFAOYSA-N	301.803	1.906	50	20	DDGD	
COc1ncncc1NC(=O)NC[C@@]1(C)C[C@H]1Br	856846427	JMTIRAHAJZWMHM-LDYMZIIASA-N	315.171	1.780	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)CBr)c2ccccc2CN1	850588741	NQCRPWYFEXCXEC-SECBINFHSA-N	319.224	1.667	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1c(F)ccc(F)c1Cl	857708051	JIOLFKXZXGWRSQ-UHFFFAOYSA-N	303.696	1.972	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@H]2COC[C@H]2C)c(F)c1	926015764	AVJGDYZUAWKMIW-PELKAZGASA-N	311.313	1.273	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)N1CC[C@H]2C[C@H]2C1	852588955	MKXMORPWCUIDOC-RYUDHWBXSA-N	324.425	1.012	50	20	DDGD	
O=C(NCCC1(O)CCOCC1)NNc1ccc(F)c(F)c1	922426239	KFLBBVVDSVHFSP-UHFFFAOYSA-N	315.320	1.523	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C)[C@@H]1CCOC1	853376084	FWIBBVOSFDHVPT-UMVBOHGHSA-N	320.393	1.416	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2cccnc21)OCC(F)(F)F	856019259	SKIPUDXWTULPBY-MRVPVSSYSA-N	303.240	1.431	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NOCCSC)c1C	854034186	XLLWMLVDOFXJHO-UHFFFAOYSA-N	313.379	1.702	50	20	DDGD	
COc1ccnc(NNC(=O)C(F)(F)c2nccs2)n1	756812288	ISUBPUHWKZYQMR-UHFFFAOYSA-N	301.278	1.177	50	20	DDGD	
CCn1cc(C(C)=NNC(=O)COc2ccccc2F)cn1	920983976	AEQMARURMMXJCN-UHFFFAOYSA-N	304.325	1.961	50	20	DDGD	
C=C(CBr)CN1CCN(c2cc(F)ncn2)CC1	852133226	XARYJLIPXIFZIV-UHFFFAOYSA-N	315.190	1.689	50	20	DDGD	
CC(F)(F)CCC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855830864	WUIZJMNBONBHEF-UHFFFAOYSA-N	321.368	1.512	50	20	DDGD	
C[C@]1(CCC(=O)NNC(=O)c2ccccc2F)CCC(=O)N1	753380229	SILOOUKZFNKUMT-OAHLLOKOSA-N	307.325	1.036	50	20	DDGD	
Cc1cnn(CC(=O)NNC(=O)c2cn(C)c3ccccc23)c1	920432493	PEUHVDBYPCUCEL-UHFFFAOYSA-N	311.345	1.144	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccccn2)c2c(C)n[nH]c2n1	750603047	ZEARYJUEELGUNA-UHFFFAOYSA-N	310.317	1.045	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](c1ccc(Cl)cc1)N(C)C	854927467	JJFLSLODYFSDFF-NSHDSACASA-N	314.842	1.410	50	20	DDGD	
Cc1cc(NNC(=O)C(C)(C)S(C)(=O)=O)ccc1Cl	928340736	CKGBFXJSACOYFF-UHFFFAOYSA-N	304.799	1.915	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc2c(C=O)c[nH]c2c1	858777186	IDGXOZHVBFUGMF-UHFFFAOYSA-N	302.334	1.725	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](C)CO[C@@H]2CCOC2)cc1F	853838474	GPOQAFIKBJHHQI-DGCLKSJQSA-N	311.357	1.954	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2ccn(C)n2)cc1C	756295050	XMDCAHZRVHZBLJ-UHFFFAOYSA-N	317.349	1.269	50	20	DDGD	
CCCOc1cc(OC)ccc1C(=O)NNC(=O)c1cc[nH]n1	855357024	XWNVFMNKSNDOAJ-UHFFFAOYSA-N	318.333	1.282	50	20	DDGD	
COCC(C)(C)C=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1	754918319	RVWNTERYPJIOFU-MGPQQGTHSA-N	313.442	1.506	50	20	DDGD	
BrC[C@@H](CN1CCOC[C@@]12CCOC2)C1CC1	859294501	UKTUEIPKSJXUMI-STQMWFEESA-N	304.228	1.899	50	20	DDGD	
CSc1nsc(NC(=O)NNC(=O)Cc2ccncc2)n1	757595620	CCOOFMKEMRHAGI-UHFFFAOYSA-N	324.391	1.050	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1c(C(C)C)nc2ccccn12	933758568	DBLNUAXUYOONIH-UHFFFAOYSA-N	319.365	1.647	50	20	DDGD	
CCCC[C@@](C)(F)C(=O)NNC(=O)[C@H]1COc2ccccc2O1	854180880	QILCZXUXZCVKGW-CZUORRHYSA-N	324.352	1.892	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)c1cccn2c(O)nnc12	758110639	VINKCLKBRIODGA-UHFFFAOYSA-N	320.312	1.162	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1ccccc1OC)[C@H]1CCCO1	756072903	NAXNOTSLBRPRAP-TZMCWYRMSA-N	321.377	1.597	50	20	DDGD	
CCC1(CC)C(=O)NCCC1=NNC(=O)OCC(F)(F)F	853428496	JTPJHKOHQGENQG-UHFFFAOYSA-N	309.288	1.957	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H]2CCCC[C@H]2O)C[C@@H]1Br	856951942	HTKZYAJZDPKPBT-MWGHHZFTSA-N	305.216	1.763	50	20	DDGD	
CN(C[C@@H]1CCCN1C)C(=O)NC[C@]1(C)C[C@@H]1Br	856894700	WKHYHZXJBYFGQJ-GVXVVHGQSA-N	318.259	1.896	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)CS(C)(=O)=O)c(C)c1	863183960	QNRSUDDFUBLUGY-UHFFFAOYSA-N	312.391	1.279	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@@H](C(=O)NNCC(F)(F)C(F)(F)F)C1	863100522	WRPDNLZUCCNFFR-RNFRBKRXSA-N	317.258	1.097	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2ccc(OC(F)(F)F)cc2)C1	761584975	NUAZMEBXHVAZPY-VIFPVBQESA-N	303.284	1.980	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H]2CCCCN2C(=O)C(C)C)n1	862524268	WDYBVUNGLSTQMK-CYBMUJFWSA-N	304.394	1.870	50	20	DDGD	
O=C(NN=Cc1ccc2cc[nH]c2c1)[C@H]1CCS(=O)(=O)C1	863077596	JOISPROSPJUZFL-LBPRGKRZSA-N	305.359	1.053	50	20	DDGD	
CC(C)[C@H](C(=O)N1CC=C(C#N)CC1)N1C[C@H](C)O[C@H](C)C1	767178751	VYKHGVMPCGPMFY-IJEWVQPXSA-N	305.422	1.802	50	20	DDGD	
CCOc1nccc(C)c1C(=O)NNc1nccc(OC)n1	765216301	AKLCNNTYMGMTCZ-UHFFFAOYSA-N	303.322	1.344	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)c1cn(C2CC2)nn1	860197552	WINCDQHCHRDMCS-UHFFFAOYSA-N	301.335	1.375	50	20	DDGD	
C/C(=C\c1ccc(Cl)cc1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1	862457598	LYBDTAZGBYRXLG-BCPZQOPPSA-N	321.764	1.169	50	20	DDGD	
CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NNC(=O)C(C)(C)O	768245786	VIBMZUWQTVFXQU-WOPDTQHZSA-N	300.399	1.279	50	20	DDGD	
O=C(NNc1cccc(Br)n1)c1cn(C2CC2)nn1	861939287	AGJVNSWQONBVPR-UHFFFAOYSA-N	323.154	1.527	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1ccc(F)c(F)c1N(C)C	863123752	KQIZBOOZNLVOMV-KOLCDFICSA-N	311.332	1.906	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H]2CCc3ncncc3C2)c1	862480566	YBISVHYJPZNAIX-JTQLQIEISA-N	316.386	1.413	50	20	DDGD	
C[C@@H]1C[C@H](CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC(C)(C)C1	862454606	WNFCWLIUFVLZLF-UTUOFQBUSA-N	309.410	1.265	50	20	DDGD	
COc1cc(C#N)ccc1S(=O)(=O)N1CC=C(C#N)CC1	766538585	HBDFZWGYNMLWEC-UHFFFAOYSA-N	303.343	1.411	50	20	DDGD	
Cc1ccc(CC(=NNC(=O)[C@@H]2CCC(=O)N2)C(C)C)cc1	863149305	WYCFYHMHCWDWJP-AWEZNQCLSA-N	301.390	1.944	50	20	DDGD	
COCC(=O)NN=Cc1cnc2ccc(Br)cn12	761819829	SACYNIDFHDIXDJ-UHFFFAOYSA-N	311.139	1.193	50	20	DDGD	
COCCCNC(=O)NN=Cc1cc(OC)c(OC)cc1O	768366034	YXFMYWPEAVPBGR-UHFFFAOYSA-N	311.338	1.079	50	20	DDGD	
CC(=O)NNC(=O)Nc1cccnc1OCc1ccccc1	765148382	SSFVWLVDRIKVGJ-UHFFFAOYSA-N	300.318	1.833	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@]2(O)CCSC2)c1	873775654	NRBJQHGEJBWCRL-CYBMUJFWSA-N	311.432	1.181	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNC(=O)c1ccc(OC)cc1	1117668793	SYUCBPUOXUASHD-UHFFFAOYSA-N	308.337	1.680	50	20	DDGD	
COC[C@H](NC(=O)NNc1nncc(N)c1Cl)C(C)C	1116301108	SDDWYMOXJPZTHV-QMMMGPOBSA-N	302.766	1.009	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H]2CCN(C)[C@@H]2C)c1	873756486	LIFCGCNWRVEJBN-CHWSQXEVSA-N	320.462	1.961	50	20	DDGD	
CC[C@H](CO)C(=O)NNC(=O)c1cc(-c2ccccc2)on1	779729989	DDKOLXMYMQMPIW-SNVBAGLBSA-N	303.318	1.121	50	20	DDGD	
Cn1cc(C(=O)NNC(=S)Nc2cccc(F)c2F)cn1	1116363766	QJOHGFSVIWJSLB-UHFFFAOYSA-N	311.317	1.330	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cnc(C2CC2)o1	878789966	KGKGYIWPYBFFSU-UHFFFAOYSA-N	301.302	1.635	50	20	DDGD	
COC(=O)c1cnc(C(=O)NNc2ccc(F)cc2C)cn1	779675690	ZNYPIELSHWDTPN-UHFFFAOYSA-N	304.281	1.468	50	20	DDGD	
CN(NC(=O)CCCOc1ccc2c(c1)CCCC2)C(N)=O	778416048	YUTKZDSPMNTXDN-UHFFFAOYSA-N	305.378	1.766	50	20	DDGD	
COCCOCC(=O)NN=C1C[C@H](Oc2ccccc2)C1(C)C	872400007	DWFFHNPLSJWBGT-HNNXBMFYSA-N	320.389	1.999	50	20	DDGD	
CCCn1cc(C=NNC(=O)CNc2ccc(C)cc2C)nn1	872335401	OLPAHBFXAXKIFV-UHFFFAOYSA-N	314.393	1.867	50	20	DDGD	
CC(C)(C)c1ccc(NC(=O)NNc2ncc(F)cn2)nn1	1116652773	YMWOJYGRXQZAKY-UHFFFAOYSA-N	305.317	1.852	50	20	DDGD	
CN1CCc2cc(C(=O)NN=c3cc[nH]cc3Cl)ccc21	779097638	UWRROJSKNMDTDC-UHFFFAOYSA-N	302.765	1.906	50	20	DDGD	
CCCN(CC(=O)NNC(=O)c1ccccc1)CC(F)(F)F	777583655	WEBNEZDVRYMFOV-UHFFFAOYSA-N	317.311	1.722	50	20	DDGD	
COc1cccnc1NC(=O)NNC(=O)c1ccccc1F	771800483	PBRKJGCXRFGNCU-UHFFFAOYSA-N	304.281	1.696	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@@H](C)[C@H](C)N2CCOCC2)n1	875243153	RRZDFNCHDBNLLO-STQMWFEESA-N	307.398	1.125	50	20	DDGD	
CO[C@@H](C)C(=O)NNC(=S)Nc1ccc(OC(C)C)cc1	874949309	KQXADQBCQXWSKT-JTQLQIEISA-N	311.407	1.826	50	20	DDGD	
Cn1cnc(-c2ccc(C(=O)NNC(=O)C3CCCC3)cc2)n1	779837180	OATDMBLLFWVQQI-UHFFFAOYSA-N	313.361	1.433	50	20	DDGD	
CCCOc1ccccc1NC(=O)C(=O)NNc1ncccn1	773716144	GKIMDDKQEHMHQS-UHFFFAOYSA-N	315.333	1.347	50	20	DDGD	
O=C(CCCN1C(=O)c2ccccc2C1=O)NNc1ccccn1	777470543	WWERETKCWLGKQJ-UHFFFAOYSA-N	324.340	1.601	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)OC[C@H]2CCCO2)cc1O	882049000	WBYDPRAPCYXVTL-DGCLKSJQSA-N	322.361	1.046	50	20	DDGD	
C[C@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)c1ccsc1	770983114	LHSAZNZKMWCJBH-ZETCQYMHSA-N	318.362	1.377	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CSCc1c(C)noc1C	887139324	KGUXVDLOFIILQC-UHFFFAOYSA-N	309.391	1.476	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)c2cccc(C)n2)cc1	887204958	CNHKYXAODSIETG-UHFFFAOYSA-N	315.329	1.239	50	20	DDGD	
C[C@](O)(CC(=O)NNc1ccnc(Br)c1)C1CC1	771535803	WPVZMDYCOKTVGX-LBPRGKRZSA-N	314.183	1.838	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCCCl)c1nc(C(C)(C)C)no1	881954607	KOHARAYZOVQYPN-MRVPVSSYSA-N	309.819	1.976	50	20	DDGD	
CCc1nn(C)cc1NC(=O)C(=O)NNc1cccc(F)c1	783039896	QFTNRMNFBKLPOQ-UHFFFAOYSA-N	305.313	1.203	50	20	DDGD	
C[C@H](C(=O)OC[C@]1(C)C[C@@H]1Br)n1cnc(C#N)n1	1123140266	AWLCHYTWOALSMS-FYBVGQRMSA-N	313.155	1.427	50	20	DDGD	
CC1CCN([C@H](C)CNC(=O)NNc2ccc(C#N)cn2)CC1	887986126	OMUQHFQINFPKCA-CYBMUJFWSA-N	316.409	1.700	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2cc(CN(C)C)ccn2)o1	880601107	ZQOZRIRFZNQXGZ-UHFFFAOYSA-N	317.349	1.511	50	20	DDGD	
CC(C)n1nccc1NC(=O)C(=O)NNc1ncccc1Cl	784818499	QJXZNMHZRDQBIB-UHFFFAOYSA-N	322.756	1.594	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2cccc(F)c2Cl)C(=O)O1	896370763	JSOREQSFTDJCMT-IMTBSYHQSA-N	301.705	1.809	50	20	DDGD	
CCn1cc(C(=O)C(=O)NNc2cccc(C(=O)OC)c2)cn1	780791422	JYWDAXAWNNJYLJ-UHFFFAOYSA-N	316.317	1.016	50	20	DDGD	
Cc1ccc(NNC(=O)c2cn(Cc3noc(C)n3)nn2)cc1	787867051	NHJMSMFPESQRJG-UHFFFAOYSA-N	313.321	1.083	50	20	DDGD	
CNC(=O)NN=Cc1ccc(C(=O)OC)cc1Br	788995674	WIBOXZKFJHFVMW-UHFFFAOYSA-N	314.139	1.499	50	20	DDGD	
COC(C)(C)CC(=O)NNC(=O)CNc1ccc(C)cc1C	787866826	ZNLILJFYDBUBLS-UHFFFAOYSA-N	307.394	1.678	50	20	DDGD	
CCn1c(NNC(=O)[C@H]2CO[C@@H](C)C2)nc2ccccc2c1=O	784337694	PRSBRIVWGFBTCL-WDEREUQCSA-N	316.361	1.285	50	20	DDGD	
O=C(COCCc1ccccc1)NNc1ncncc1Cl	781819477	DSBLDYNJKJXCBA-UHFFFAOYSA-N	306.753	1.832	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@H]2CCCN2C2CC2)o1	787266728	IVZQYYISJFUWTN-GFCCVEGCSA-N	303.366	1.740	50	20	DDGD	
CN1CCC[C@@H]1c1cc(C(=O)NNc2ncncc2Cl)n[nH]1	897499932	RVXAXDQGAUIEDJ-LLVKDONJSA-N	321.772	1.377	50	20	DDGD	
CC(C)c1ccoc1C(=O)NNc1nc(O)c2cnn(C)c2n1	786170408	GXCOWWSMCRYTEE-UHFFFAOYSA-N	316.321	1.542	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2nccn2-c2ccccc2)CC1	790173454	GNTBAMNJERGSSD-UHFFFAOYSA-N	312.377	1.163	50	20	DDGD	
CC[C@@H](C)CC[C@H](O)CC(=O)NNC(=O)NCC(F)(F)F	798314696	XEZFVNAQTYILQX-BDAKNGLRSA-N	313.320	1.456	50	20	DDGD	
N#Cc1ccc2c(c1)CCCCC2=NNC(=O)CN1CCCC1=O	794850467	IUAFUKZNMYCALU-UHFFFAOYSA-N	324.384	1.727	50	20	DDGD	
CCOCC1(C(=O)NN=c2sc3ccccc3n2C)CC1	799293400	KCMSIMYVGMBIAQ-UHFFFAOYSA-N	305.403	1.988	50	20	DDGD	
O=C(COC(F)F)NNC(=O)Cc1cccc2ccccc12	794922120	NUNRKSDJHWNKDZ-UHFFFAOYSA-N	308.284	1.769	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1)[C@H](C)O	790070317	NWQQUUBKCGNWMU-CWSCBRNRSA-N	312.341	1.147	50	20	DDGD	
C=C(CBr)CN(CCO)CCOCC(F)(F)F	791458614	ISIUMWKBIZGDTL-UHFFFAOYSA-N	320.149	1.811	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNC(C)=O)cc(Cl)c1F	792500336	RWISHWVVGQNOJT-UHFFFAOYSA-N	303.677	1.438	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)NCC1(C#N)CC1	797580926	JGKYUDMVNGEVKR-UHFFFAOYSA-N	322.752	1.596	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNC(=O)c1ccccc1O	792209031	ASJQPOOTUZNJLM-UHFFFAOYSA-N	315.329	1.569	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1cc(C)c(C)o1	799881519	NZNQGWALASYQFT-UHFFFAOYSA-N	304.306	1.181	50	20	DDGD	
C=CC[C@@H](CC)NC(=O)NNC(=O)COc1ccccc1C#N	798495033	PNCPILMTDCIFLW-CYBMUJFWSA-N	316.361	1.622	50	20	DDGD	
COc1ccc(C)cc1CC(=O)NNC(=O)c1cccc(C)n1	794089132	CJWQPFSAOMIMDE-UHFFFAOYSA-N	313.357	1.711	50	20	DDGD	
CO[C@H]1CCN(CC(=O)NNC(=O)c2cccc(C)c2)[C@H](C)C1	799343744	MYOKDTQETDUQPE-HIFRSBDPSA-N	319.405	1.255	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2=CCCC2)cc1C	798309144	IPRQKBUGAIDIIZ-UHFFFAOYSA-N	301.346	1.500	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cc(C#N)ccc2Cl)cn1	796527868	CNNYHDXHUHGILF-UHFFFAOYSA-N	303.709	1.020	50	20	DDGD	
COCCCCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	798308598	HNKMLHWFADIGBS-UHFFFAOYSA-N	321.377	1.206	50	20	DDGD	
CCc1n[nH]cc1C(=O)NNC(=O)CCc1ccc(OC)cc1	792802530	IOAJIFPFRIIVQQ-UHFFFAOYSA-N	316.361	1.375	50	20	DDGD	
C=C(CBr)CN(C)[C@@H](COC(C)C)C(=O)OC	791471840	WSNFTMADLTZCGS-NSHDSACASA-N	308.216	1.836	50	20	DDGD	
CN(C[C@@H](CBr)C1CC1)[C@@H]1CCS(=O)(=O)C1	701838768	ROXNPYZDVFIBAQ-GHMZBOCLSA-N	310.257	1.526	50	20	DDGD	
Cc1c(NNC(=O)Cn2cc(C3CC3)nn2)cccc1[N+](=O)[O-]	1319597417	POVZNHISQUHBRA-UHFFFAOYSA-N	316.321	1.515	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@H]2[C@H]3c4ccccc4C[C@H]32)c1Cl	1328993383	WCWQGYXXYIAOIS-ADEWGFFLSA-N	315.764	1.741	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCCN2C2CC2)cc1	1324814824	LSWZCSSHXFRJGU-AWEZNQCLSA-N	303.362	1.083	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc(CN2CCCC2)cc1	1327141169	RITUXRZEWLFESM-UHFFFAOYSA-N	320.462	1.800	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)OCCO2	1338607385	HMAMRFWQXIKNKV-NWDGAFQWSA-N	320.345	1.034	50	20	DDGD	
COC1(OC)CC(CNC(=O)NNC(=O)c2ccccc2)C1	1263144281	FAEYFBLOJQKSFI-UHFFFAOYSA-N	307.350	1.030	50	20	DDGD	
C[C@@]1(CNC(=O)CCSCCCN)C[C@@H]1Br	1263164298	QMPGNBORZURFJP-ONGXEEELSA-N	309.273	1.748	50	20	DDGD	
Cc1ccc2c(c1)S[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)C2	1349432116	DAHGMAIMJWZENY-QKCSRTOESA-N	320.414	1.584	50	20	DDGD	
CC1=NO[C@](C)(C(=O)NNc2ncc(Br)cn2)C1	1262630787	KTODUWOZUPQEIN-JTQLQIEISA-N	314.143	1.237	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@]2(C)CC(C)=NO2)c1F	1353702483	WOICWLAWHVZJJN-CQSZACIVSA-N	309.297	1.610	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1Cl	1517309856	OWEJJDUDPUPDLG-UHFFFAOYSA-N	321.764	1.538	50	20	DDGD	
Cc1nccnc1NC(=O)NNc1ccc(CC(=O)O)cc1	1600758824	XSFWPJOOUQPAPZ-UHFFFAOYSA-N	301.306	1.561	50	20	DDGD	
O=C(O)C12CC(C(=O)NNc3nc4ccncc4s3)(C1)C2	1601728374	DXZYXVSATWAPNK-UHFFFAOYSA-N	304.331	1.389	50	20	DDGD	
COC(=O)c1cccc([C@H](NNC(=O)C2CCCC2)C(=O)O)c1	1606611112	JNVHCGQNHNCBAC-ZDUSSCGKSA-N	320.345	1.410	50	20	DDGD	
C/C(=C\CNC(=O)NC[C@]1(C)C[C@H]1Br)C(=O)O	1602971403	ADIKEZRKDQQIFI-YYSOZAHMSA-N	305.172	1.490	50	20	DDGD	
CCc1nc(O)c(C(=O)NNc2ncccc2C(=O)O)cc1C	1603983316	YGGARDWZXPHMPG-UHFFFAOYSA-N	316.317	1.508	50	20	DDGD	
O=C(O)CSCc1cccc(NC(=O)NNC(=O)C2CC2)c1	1608768818	SLJWDWLQDXIHGZ-UHFFFAOYSA-N	323.374	1.567	50	20	DDGD	
Cc1cc(C)c(C(=O)NNc2ccccc2C(=O)O)c(O)n1	1607614147	WMTWODKVUNVTQW-UHFFFAOYSA-N	301.302	1.859	50	20	DDGD	
Cc1ccc(C(=O)NNc2nc3ccccn3n2)cc1C(=O)O	1600342570	SNCMRRCJSOWFGY-UHFFFAOYSA-N	311.301	1.493	50	20	DDGD	
Cc1ccc(NC(=O)NNc2ccc(-c3nn[nH]n3)cn2)cc1	1605870371	CCAGKXANXMDSFN-UHFFFAOYSA-N	310.321	1.719	50	20	DDGD	
O=C(O)CSCCC(=O)NNc1ccnc(C(F)(F)F)c1	1602098608	LIGZOQBSVUEJIR-UHFFFAOYSA-N	323.296	1.751	50	20	DDGD	
CN(NC(=O)[C@H]1CCCC[C@H]1C(=O)O)C(=O)OC(C)(C)C	1606180648	FPPBLWOASUZPRU-VHSXEESVSA-N	300.355	1.776	50	20	DDGD	
O=C(CCCn1cccn1)NNc1ccc(F)c(C(=O)O)c1	1601274057	KSZMFSAMUSCTRQ-UHFFFAOYSA-N	306.297	1.644	50	20	DDGD	
C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@](C)(Cl)CCl	1800083168	QFSYUWJBNYYVSF-FBKDDSFISA-N	317.216	1.494	50	20	DDGD	
CCc1cccc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)c1	1549317698	YOUUFOPNTBYHEL-HZPDHXFCSA-N	301.390	1.562	50	20	DDGD	
Cn1cc([C@H]2OCCC[C@@H]2C=NNC(=O)C2CCOCC2)cn1	1552918631	DSRLWUUXARHYJY-HIFRSBDPSA-N	320.393	1.416	50	20	DDGD	
Cn1cc(C(=O)NN=C[C@H]2CCCO[C@H]2c2ccnn2C)cn1	1552449985	RXFVPMUZQSTKMQ-BXUZGUMPSA-N	316.365	1.037	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](N)CCC(C)C)c([N+](=O)[O-])c1	1579230429	LWRKMYIHEWOXTC-LLVKDONJSA-N	310.354	1.810	50	20	DDGD	
CC(C)[C@H](S)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1841625043	JQZKMYZITJIZFE-VHSXEESVSA-N	322.833	1.679	50	20	DDGD	
O=C(O)C1(C(=O)NNC(=S)Nc2ccccn2)CCCCC1	1594864634	INMJRBJUMZDOPR-UHFFFAOYSA-N	322.390	1.434	50	20	DDGD	
CCC(=NNC(=O)NCC(=O)O)c1ccccc1OC(F)F	1594693708	BDZAXHBGUBKYES-UHFFFAOYSA-N	315.276	1.786	50	20	DDGD	
CN(NS(=O)(=O)c1ccc(C(=O)O)o1)C(=O)OC(C)(C)C	1598541026	KHXHKKZREYLSFP-UHFFFAOYSA-N	320.323	1.038	50	20	DDGD	
CCO[C@@H](C(=O)NNc1cccc(C(=O)O)c1)C1CCOCC1	1596762451	SLEALFBMQSMIAL-CQSZACIVSA-N	322.361	1.660	50	20	DDGD	
CCCC[C@H](O)CCC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1590582056	MBVYMJCGXGAURS-NSHDSACASA-N	319.369	1.036	50	20	DDGD	
C[C@@H](CC(=O)O)CC(=O)NNC(=O)c1cccc2cccnc12	1592391795	QJZZKWRUHGZFAK-SNVBAGLBSA-N	315.329	1.497	50	20	DDGD	
O=C(O)Cn1cccc1C=NNC(=O)CNc1ccccc1F	1595158152	FMQPQBDCCKXEMC-UHFFFAOYSA-N	318.308	1.274	50	20	DDGD	
CO[C@@H](C(=O)NNc1ccc(C(=O)O)cn1)c1ccc(O)cc1	1599029258	XGNATZBJSDJOTD-CYBMUJFWSA-N	317.301	1.316	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2cc(C)c(C(=O)O)[nH]2)cc1	1776023737	PVSFCUHLKJMNMA-UHFFFAOYSA-N	315.329	1.859	50	20	DDGD	
COc1cc(C(=O)O)ccc1/C=C(/C#N)S(=O)(=O)NC1CC1	1777270010	XZQSSKUOJRZTKA-SDQBBNPISA-N	322.342	1.340	50	20	DDGD	
C/C=C(\C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Cl)CCO2	1783069439	YCDQIMSHFUOWQU-NSGXKBCTSA-N	318.776	1.317	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl)[C@@H](F)Cl	1796808780	LBOCFGXWHIQHDH-WUNNTHRKSA-N	315.147	1.693	50	20	DDGD	
COC[C@@H](C)CNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	150024809	AUDAKVXJHNECTB-RCROBYIUSA-N	300.362	1.511	50	20	DDGD	
NC(=O)Nc1cccc(C(=O)NNc2cnc3ccccc3n2)c1	163499243	BRHSZDQVXSVZPN-UHFFFAOYSA-N	322.328	1.877	50	20	DDGD	
CS(=O)(=O)CC1(CC(=O)NNc2ccc(C#N)cc2)CC1	155244645	BVEWECZQVSSACG-UHFFFAOYSA-N	307.375	1.216	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CCCc2sccc2C)[nH]n1	154056599	DISZBXBDMAXKHR-UHFFFAOYSA-N	306.391	1.872	50	20	DDGD	
CC(C)C[C@@H](C(=O)NNc1ncccn1)N1CCCCC1=O	154151967	VPAMGFREEPPLOI-LBPRGKRZSA-N	305.382	1.347	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cc(Cl)cc(C(F)(F)F)c1	155911655	XEZKWPJXIMBCDU-UHFFFAOYSA-N	323.702	1.681	50	20	DDGD	
COCCS(=O)(=O)NNC(=O)c1ccc2ccccc2c1	154341791	IOFGPBHSQNDOOY-UHFFFAOYSA-N	308.359	1.050	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(CN(C)C)cc2)nc1	159604455	VWCIGGVSGFIEBH-UHFFFAOYSA-N	300.362	1.909	50	20	DDGD	
CN(C)C1CN(S(=O)(=O)c2ccc(CCCl)cc2)C1	382680772	AHRLXRGXTPQYIM-UHFFFAOYSA-N	302.827	1.402	50	20	DDGD	
CCCC(=O)N1CCC[C@H](C(=O)NNC(=O)OC(C)(C)C)C1	58836382	VFTDDNLZUILCSN-NSHDSACASA-N	313.398	1.581	50	20	DDGD	
NC(=O)N1CCC[C@H](C(=O)NNc2cccc3c2CCCC3)C1	179018587	RSLKDEVURQMJDM-ZDUSSCGKSA-N	316.405	1.799	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H]2CC=CCC2)cn1	105512270	ZGWRMBRTPOBPLH-SNVBAGLBSA-N	306.391	1.764	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)Nc2cccc(C#N)c2)cc1	119708185	YJFKEMDUJORLCR-UHFFFAOYSA-N	305.297	1.512	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C2[C@H]3CCC[C@H]23)cc1	178096380	AQXRDGOPYKZFSN-STQMWFEESA-N	303.362	1.301	50	20	DDGD	
C[C@H](OC[C@@H]1CCCCO1)C(=O)NNc1nccnc1Cl	114894939	XDGGWPOUOQXYIO-UWVGGRQHSA-N	314.773	1.547	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@@H]2OCCc3ccccc32)c1	119566645	VVKWZWVTOYRVGZ-MRXNPFEDSA-N	321.336	1.633	50	20	DDGD	
O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)NNc1ncccn1	106737954	MSKKDFNIVNDORY-UHFFFAOYSA-N	312.333	1.112	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cccn2C)c1C	68731638	SADCMLCSMUKHHP-CYBMUJFWSA-N	315.373	1.870	50	20	DDGD	
Cc1nn(C)cc1CCC(=O)NNC(=O)Cc1ccccc1F	115069130	WUNKMBDJLOBNKR-UHFFFAOYSA-N	318.352	1.190	50	20	DDGD	
CCOCC(=O)NNC(=O)c1cc(F)ccc1Br	103115497	WXDYPUAYQFOCAJ-UHFFFAOYSA-N	319.130	1.386	50	20	DDGD	
CC(=O)CCCC(=O)NNC(=O)COc1cc(C)ccc1C	178097777	FHSXIMVUNXVGPU-UHFFFAOYSA-N	306.362	1.589	50	20	DDGD	
CCOCC(=O)NNC(=O)c1ccc(Br)s1	23155062	FNFKYFNWAIXZEC-UHFFFAOYSA-N	307.169	1.308	50	20	DDGD	
O=C(NNc1cnccn1)c1cc(F)cc2[nH]c(=S)[nH]c12	114882290	LEACMSWXZYFRIK-UHFFFAOYSA-N	304.310	1.911	50	20	DDGD	
C[C@H](CCc1cccn1C)NC(=O)NNC(=O)c1ccc[nH]1	176031183	GSTVUCTZETTXMJ-LLVKDONJSA-N	303.366	1.319	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@@H]2CCC[C@H]21	176393559	DOBANJSYNDWUJW-UONOGXRCSA-N	302.378	1.629	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=S)N[C@@H](C)C2CC2)cc1	171168513	BWPBDKWYCSACFV-NSHDSACASA-N	307.419	1.668	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNC(=O)NCCc1cccs1	68529597	LXJAVAJRTYCWFU-LLVKDONJSA-N	313.423	1.826	50	20	DDGD	
CC/C=C(\C)C(=O)NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1	171882045	IYZOIYHYLCQDCC-VQHVLOKHSA-N	318.381	1.674	50	20	DDGD	
Cc1noc(C)c1C[C@H](C)NC(=O)NNC(=O)CC(C)(C)C	128429258	NVIKEWWTCCXQRI-VIFPVBQESA-N	310.398	1.989	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)Cc1ccccc1F)c1ccccc1	66784420	SIUKRCPFISFKSX-INIZCTEOSA-N	316.332	1.903	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCCNc1ccccn1	170895171	AZGRMSOZZDXVSD-UHFFFAOYSA-N	307.398	1.650	50	20	DDGD	
CC(=O)NNC(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1C	66928612	USDZFJOUNUGOKJ-UHFFFAOYSA-N	317.349	1.144	50	20	DDGD	
CC[C@@H]1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	125821071	UGSYOFWGOMLFDF-LLVKDONJSA-N	320.349	1.088	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1Cc1ccccn1)c1ccccc1	77975260	LGVUBTGYFJMANG-MRXNPFEDSA-N	324.384	1.507	50	20	DDGD	
Cc1cnc([C@@H](C)NC(=O)NNc2nc3ccccn3n2)s1	189478423	FVSYEJTWSXEGBC-SECBINFHSA-N	317.378	1.882	50	20	DDGD	
O=C(NNc1ncccn1)N[C@@H]1CCN(C2CCCCC2)C1=O	124011585	RVGJZNQSIAFBKK-GFCCVEGCSA-N	318.381	1.036	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCC2CCC(C)(C)CC2)cn1	127182942	MYNJYDUKFKVYJA-UHFFFAOYSA-N	307.398	1.581	50	20	DDGD	
O=C1CCCc2cc(NC(=O)NNc3ncccn3)ccc2N1	187022717	ZXYRHYOEAHJURX-UHFFFAOYSA-N	312.333	1.900	50	20	DDGD	
CSCCCCCCNC(=O)NNC(=O)Cc1cccnc1	182483402	WPFFYJNPVDCORY-UHFFFAOYSA-N	324.450	1.878	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)cc1F)NNc1ccccn1	181909680	XZVQXSMPNVRQAP-UHFFFAOYSA-N	306.272	1.233	50	20	DDGD	
CSc1cccc(NC(=O)NNC(=O)c2cnn(C)c2)c1	186401998	ZQDBWBCSDRJMOE-UHFFFAOYSA-N	305.363	1.609	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)Cn1nc(C)cc1C	132131769	JDSVKEZJJZXHQW-OLZOCXBDSA-N	307.398	1.409	50	20	DDGD	
C[C@H](CCc1ccc(O)cc1)NC(=O)NNc1ncccn1	45382495	NNLYTJVOYFKBPQ-LLVKDONJSA-N	301.350	1.830	50	20	DDGD	
C[C@H](CNC(=O)NNc1ncccn1)N(C)c1ccccc1	46341364	RKBKDUWOVHZNPQ-GFCCVEGCSA-N	300.366	1.628	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCCc2sccc21	130077257	PKRUDXFBNNOPAT-JTQLQIEISA-N	304.375	1.661	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(-n2cccn2)cc1C	190726249	SBFUAEWDXMLGGC-UHFFFAOYSA-N	303.322	1.963	50	20	DDGD	
N#Cc1ccc(NCC(=O)NNc2cc(Cl)nc(N)n2)cc1	134049527	XEBICFJGXKJJMG-UHFFFAOYSA-N	317.740	1.139	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cccc3ccn(C)c23)ncn1	190609506	WFVVYEWYPCVLIJ-UHFFFAOYSA-N	324.344	1.359	50	20	DDGD	
COc1nccnc1NNC(=O)c1cccc(C)c1[N+](=O)[O-]	132133934	AUGUDOYRUMGTRR-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1ccncc1)c1cccc(F)c1	81025022	STDKHRVJNYEABX-NSHDSACASA-N	301.321	1.714	50	20	DDGD	
CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NNc1ccccc1F	194387011	CMFXZTOFGMHUBN-JTQLQIEISA-N	321.274	1.972	50	20	DDGD	
CC(C)Oc1ccc(C(=O)NNC(=O)Cc2ccncc2)cn1	81025386	GLZZBSUFEQPKFH-UHFFFAOYSA-N	314.345	1.268	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1c(F)cccc1Cl	81026824	RKGKHXQFCBETBJ-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
CN(C)c1cccc(CCC(=O)NNC(=O)c2ccncc2)c1	194001938	KXKYEQRBFQNNMF-UHFFFAOYSA-N	312.373	1.541	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NNC(=O)NC2CC2)no1	143252106	IXWQFCOBJIERPG-UHFFFAOYSA-N	316.317	1.457	50	20	DDGD	
C[C@H](CBr)CN(C1CC1)[C@H](C)CS(C)(=O)=O	248686605	HMDHXNIYCBJCTJ-NXEZZACHSA-N	312.273	1.915	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@]2(C)CCCS2)n1	268312694	HCVVBXKSHAEKPT-ZDUSSCGKSA-N	311.411	1.705	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cccc([N+](=O)[O-])c1	269859145	QZALZYJKRAIUDO-UHFFFAOYSA-N	314.392	1.067	50	20	DDGD	
CC(C)CONC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	269652595	AATYGRPWBQPBEV-JTQLQIEISA-N	313.329	1.511	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=S)NCCSC)cc1	269828267	KUGOLLUXXUBYEX-UHFFFAOYSA-N	313.448	1.557	50	20	DDGD	
O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1O)NC1CCCCC1	266440736	MQRDHYGTXXZKOQ-UHFFFAOYSA-N	322.321	1.577	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)[C@H]1CC12CCOCC2	365850866	YZBDBWMEWMTQTL-CYBMUJFWSA-N	303.362	1.063	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C2CCSCC2)cc1	264889602	YQVFUMNLZYHQLS-UHFFFAOYSA-N	322.430	1.918	50	20	DDGD	
COC(=O)c1cc(OC(=O)[C@@H]2CCCCO2)ccc1[N+](=O)[O-]	269409074	HOCOJAQYIORUHB-LBPRGKRZSA-N	309.274	1.856	50	20	DDGD	
CCOC(=O)CC(=O)NNc1nc(-c2ccc(Cl)cc2)no1	362834368	RJEGDSLPBFEUKF-UHFFFAOYSA-N	324.724	1.786	50	20	DDGD	
CCCOc1ccc(NC(=O)C(=O)NNC(=O)CC2CC2)cc1	274030605	COXCEGVUZBUPPT-UHFFFAOYSA-N	319.361	1.361	50	20	DDGD	
COC(=O)NNC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1	274190568	FWPPHZWWCWHYRK-MRXNPFEDSA-N	319.361	1.316	50	20	DDGD	
Cc1ccc(Br)nc1C(=O)NNC(=O)C1CCC1	276549952	QHZLUAAOZLXBRD-UHFFFAOYSA-N	312.167	1.714	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H](C)C1=CCN(C)CC1	273070589	ZKKXQOWXGFHIEW-ZDUSSCGKSA-N	316.405	1.589	50	20	DDGD	
CC[C@@H]1CN(C(=O)NNC(=O)c2cccc(C)n2)C[C@H](C)O1	279580387	BMCLERXPLGPFGZ-NWDGAFQWSA-N	306.366	1.244	50	20	DDGD	
CN1CCOc2ccc(C(=O)NNc3ccnc(F)c3)cc21	376960582	KGDBPCYVVRTTPY-UHFFFAOYSA-N	302.309	1.806	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ncccc1F)CN1CCCCC1	287188231	UDVNFWWHSFPNLN-LBPRGKRZSA-N	309.389	1.969	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)[C@@H](CCSC)NC(N)=O	281845475	UCUJXLDBCQUNFB-GFCCVEGCSA-N	324.450	1.791	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C[C@@H]2CCC(=O)[C@H]2C)cc1	280062894	SWKUXNQXMHNVEN-STQMWFEESA-N	317.389	1.560	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCCN1C(=O)CCC1=O	282486164	UCMBTYGINBNJDX-UHFFFAOYSA-N	318.377	1.333	50	20	DDGD	
CCCN(NC(=O)c1ccn(C)c(=O)c1)C(=O)OC(C)(C)C	286576101	RYTLNCRCILGIII-UHFFFAOYSA-N	309.366	1.677	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ncc(F)cc1F	296779103	ACNALYCPKJDFNG-ZETCQYMHSA-N	316.308	1.716	50	20	DDGD	
COCC[C@@H](NC(=O)NNc1ncncc1F)c1ccco1	292994168	KJKIVNJCDPAYJZ-SNVBAGLBSA-N	309.301	1.613	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)cc1	802118131	PBKBPCYRDITDNJ-MGPQQGTHSA-N	318.377	1.330	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cc2cccc([N+](=O)[O-])c2[nH]1	293878775	DHODFPXUHFSMTB-NSHDSACASA-N	318.289	1.016	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCCn2ccnc2C)n1	298944246	KFZMGZNEWZAFAT-UHFFFAOYSA-N	303.370	1.315	50	20	DDGD	
COCc1ncsc1C(=O)NNC(=O)c1ccc(C)cc1O	806527809	PUYGDTITRZLGBO-UHFFFAOYSA-N	321.358	1.378	50	20	DDGD	
C[C@H]1OCC[C@@H]1NC(=O)NNC(=O)Nc1cccc(Cl)c1	296351680	CYNLJUULUVWOST-KCJUWKMLSA-N	312.757	1.853	50	20	DDGD	
CSSCCNC(=O)NCCS(=O)(=O)C(C)C	808300911	FSCRMDSMWANEGV-UHFFFAOYSA-N	300.471	1.120	50	20	DDGD	
CC(C)[C@H](O)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	291501682	VKUCYWGBGRFLII-RNCFNFMXSA-N	310.419	1.651	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@H]21	809147191	LGYULJGVKZVLPB-WJQMYRPNSA-N	305.378	1.194	50	20	DDGD	
CSC[C@H]1CCCN(C(=O)NNC(=O)Cc2cccnc2)C1	292824566	XIEDSXDKQOOXHI-ZDUSSCGKSA-N	322.434	1.440	50	20	DDGD	
Cc1cc(Br)c(C(=O)NNC(=O)CO)cc1Cl	807196172	QRGUDLVWAWONKZ-UHFFFAOYSA-N	321.558	1.164	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3cncn3C)n[nH]2)cc1	809611195	VMLDMRCVLOXUMS-UHFFFAOYSA-N	324.344	1.193	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)NCC(C)(C)c2ccccn2)O1	297590153	MPYPKLLYGWBMKR-RYUDHWBXSA-N	320.393	1.257	50	20	DDGD	
Cc1cc(CNC(=O)NNc2cccc([N+](=O)[O-])c2)n(C)n1	807221857	HUKAFKUBPDJUBZ-UHFFFAOYSA-N	304.310	1.463	50	20	DDGD	
C[C@H](C(=O)NNC(=O)N=c1cc[nH]cc1)c1c(F)cccc1F	802024201	LLLMPPAZRIRASX-VIFPVBQESA-N	320.299	1.738	50	20	DDGD	
CCc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)CC)ccc1F	806976239	JWPIPQJTNGQSLH-VIFPVBQESA-N	309.341	1.520	50	20	DDGD	
CCOc1ccc(OC)cc1NC(=O)NNC(=O)[C@@H]1CCCO1	293029602	WABZPFCBYBQFHE-ZDUSSCGKSA-N	323.349	1.426	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1c(C)cc(C)cc1OC	296142280	SSWZBBWBUYRBFL-UHFFFAOYSA-N	302.352	1.204	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)s1	802123190	KUELINPCIQINNI-UHFFFAOYSA-N	319.390	1.984	50	20	DDGD	
Cc1cc(C)nc(C(=O)NNC(=O)COc2ccccc2O)c1	801093700	UUHBARCYGQPHFN-UHFFFAOYSA-N	315.329	1.244	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@@H](O)c1ccc(Cl)cc1	813424904	YQSQHQRDRGDBIX-LBPRGKRZSA-N	323.736	1.497	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)NCCc2cccs2)c(C)o1	814311753	JLPZQQDGGWUYHI-UHFFFAOYSA-N	308.363	1.540	50	20	DDGD	
O=C(NNC(=O)c1cccc2ncccc12)c1cccc(CO)c1	813444086	NGPGUBGBIQRZMG-UHFFFAOYSA-N	321.336	1.802	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CC(=O)NNc1cccc(Cl)n1	817007474	CYULDAGMRRHNSU-UHFFFAOYSA-N	310.701	1.291	50	20	DDGD	
O=C(CN1CCCc2ccccc21)NN=C1CC(C(=O)O)C1	814728741	JFMJGDWULNGPSY-UHFFFAOYSA-N	301.346	1.406	50	20	DDGD	
CC(=NNC(=O)c1cccnc1)c1cn(-c2ccccc2)nn1	814686997	KNZZNRFCKCCLLR-UHFFFAOYSA-N	306.329	1.816	50	20	DDGD	
COc1cc2c(cc1OC)C(=NNC(=O)CC1CC1)C(=O)N2	814989944	ZXEUIEYSCSEZRG-UHFFFAOYSA-N	303.318	1.276	50	20	DDGD	
CCc1ccc(C(=O)NNS(=O)(=O)C[C@H](CC)OC)cc1	817348474	LVXXKXMXQRYHIV-ZDUSSCGKSA-N	314.407	1.238	50	20	DDGD	
COc1ccc(NNC(=O)Cn2ncc3ccccc3c2=O)cc1	729274351	WSJVBLZEPGICHW-UHFFFAOYSA-N	324.340	1.548	50	20	DDGD	
Cc1cc(Cl)ccc1NC(=O)C(=O)NNc1ncncc1F	815764435	ICXAGXBKZHMQRJ-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1c[nH]nc1-c1ccccn1	810511291	HWZUWXXBSCVVBI-UHFFFAOYSA-N	314.736	1.699	50	20	DDGD	
CCN(C)C(=O)c1cccc(C(=O)NNC(=O)c2ccc[nH]2)c1	729303644	SXTKFAQTQCITRT-UHFFFAOYSA-N	314.345	1.181	50	20	DDGD	
C[C@@]1(C(=O)NNc2ccc(Cl)cc2Cl)CCNC1=O	821148646	VKPSSJJRBDTGHE-GFCCVEGCSA-N	302.161	1.963	50	20	DDGD	
CCN(CCO)NC(=O)CN(C)c1nc2ccccc2s1	823852777	PGLUFPQPTGNAKS-UHFFFAOYSA-N	308.407	1.078	50	20	DDGD	
CO[C@H](C=NNC(=O)CNC(=O)OC(C)(C)C)CC(C)C	495942763	OWMNCQRQZDDBQM-NSHDSACASA-N	301.387	1.674	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1cncc(F)c1	826951189	ICBRXPPGLDVYEG-HOTUBEGUSA-N	310.329	1.037	50	20	DDGD	
CCc1ccc([C@@H](O)CNC(=O)/C(C#N)=C/c2cnn(C)c2)cc1	491087266	WQDVAFFCTPKZMZ-BDBSJLECSA-N	324.384	1.739	50	20	DDGD	
O=C(NNC(=O)c1cc[nH]n1)Nc1cnc2c(c1)CCCC2	822481938	WWFSDRGIKOGGIP-UHFFFAOYSA-N	300.322	1.150	50	20	DDGD	
Cc1ncsc1C(=O)NN=Cc1ccccc1-c1nn[nH]n1	826331275	BDOYNNUREBPCFR-UHFFFAOYSA-N	313.346	1.396	50	20	DDGD	
COCC[C@H](C=NNC(=O)c1ccc[nH]1)NC(=O)OC(C)(C)C	496210406	YXZIQWSSCHWGFT-LLVKDONJSA-N	324.381	1.660	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1cccc(O)c1	827004775	OAZHRZPRXURMID-KWBADKCTSA-N	307.350	1.209	50	20	DDGD	
Cc1cc(NNC(=O)C[C@@H]2COc3ccccc3O2)ncn1	825855662	YSPSHPVRZDRYKX-LLVKDONJSA-N	300.318	1.458	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cc(O)n(C)n1)c1ccccc1	827185436	SDCFBZQZTSHKQW-LLVKDONJSA-N	302.334	1.081	50	20	DDGD	
O=C(NNc1cccc2c1CCCC2)c1c[nH]c(-c2nn[nH]n2)c1	826449251	JDDLLYRBWBDCMW-UHFFFAOYSA-N	323.360	1.831	50	20	DDGD	
CC1=C(C)C(=O)N(CCC(=O)NNc2cc(C)cc(C)c2)C1=O	901164881	MOCGHAXPIYAONS-UHFFFAOYSA-N	315.373	1.842	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C2CCOCC2)cc1F	905567300	DKPJXQZHOYISDM-UHFFFAOYSA-N	311.382	1.878	50	20	DDGD	
CCN(CC)c1ccc(NCc2ccc(B(O)O)cc2F)cn1	585029858	KCDFJGKSBOLVMQ-UHFFFAOYSA-N	317.173	1.359	50	20	DDGD	
Cc1nnc(CC(=O)NNc2oc(C(C)C)nc2C#N)s1	824639235	IQOPCJXLOREWKK-UHFFFAOYSA-N	306.351	1.515	50	20	DDGD	
Cc1ccc([C@@H]2C[C@H]2NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	827258624	BSIVLWOEIAPBKV-REBRKWNGSA-N	317.389	1.606	50	20	DDGD	
O=C(O)NCCCC(=O)NNC(=O)c1cccc2ccccc12	739956225	CMVQSUSFWQYYOC-UHFFFAOYSA-N	315.329	1.649	50	20	DDGD	
CCc1c(C(=O)NN(C)[C@H](C)CO)cnn1-c1ccc(C)cc1	823976334	BXSCJTHRQISTGU-CYBMUJFWSA-N	316.405	1.701	50	20	DDGD	
Cc1ccccc1NNC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O	824114098	PNIWYXQBQFYSAC-BETUJISGSA-N	313.357	1.389	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2C[C@H](O)C(C)(C)C2)cc(C#N)n1C	490906325	CNXXAHIGTBZTAV-WQPBDQAGSA-N	312.373	1.341	50	20	DDGD	
Cc1c(Br)cccc1C(=O)NN(C)[C@@H](C)CO	823951649	MBULTXSSYZGYAE-QMMMGPOBSA-N	301.184	1.715	50	20	DDGD	
Cc1n[nH]c(C)c1C=NNC(=O)CCCNC(=O)OC(C)(C)C	494078642	OEMDDGYQPZPEJM-UHFFFAOYSA-N	323.397	1.782	50	20	DDGD	
COCCn1cc(C(=O)NNc2c(F)cccc2F)ccc1=O	735695538	GQAFMDBIZYBQKM-UHFFFAOYSA-N	323.299	1.530	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1CCC[C@H]1Oc1ccccc1	585022861	BNCKNVFBHNFISK-QZTJIDSGSA-N	311.190	1.456	50	20	DDGD	
C[C@]1(C(=O)N2CCC(CC(N)=O)CC2)C[C@H]1Br	906237701	AFPZPXOUDNDLFS-SKDRFNHKSA-N	303.200	1.274	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC(O)(C(F)F)CC1	491138857	ZZAOLJOPUWFOKP-XFXZXTDPSA-N	322.311	1.918	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1)c1cnccn1	734745533	OEYOHNZHAPXIDS-AGIUHOORSA-N	319.409	1.062	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2ccccc2S(C)(=O)=O)on1	733806931	LRSFIOFWVJGQSG-UHFFFAOYSA-N	323.374	1.958	50	20	DDGD	
C=CCOC[C@H](NC(=O)[C@@H](Br)C(C)(C)C)C(=O)O	909771880	SROJTVPDIIEIIL-DTWKUNHWSA-N	322.199	1.568	50	20	DDGD	
N#CSCCCNC(=O)c1cccn1CCN1CCOCC1	908032289	KDBQOLSEVDJGCE-UHFFFAOYSA-N	322.434	1.154	50	20	DDGD	
O=C(Cc1cccnc1)NN=C1CCC(O)(C(F)(F)F)CC1	734748178	KGKAVPMVHLVBIO-UHFFFAOYSA-N	315.295	1.964	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)c2ccnc(N(C)C)c2)cn1	732712063	ODXJPCRWBAEIIH-UHFFFAOYSA-N	300.366	1.689	50	20	DDGD	
CO[C@H](c1nc(-c2ccc(B(O)O)cc2)no1)C1CCCCC1	585052221	VDJOGXKFQCKEMY-AWEZNQCLSA-N	316.166	1.684	50	20	DDGD	
Cc1ccc([C@H](C)NCc2ccc(B(O)O)cc2F)cc1F	585028985	USSGXMCWZPJLOE-NSHDSACASA-N	305.133	1.804	50	20	DDGD	
CO[C@H](C1CC1)[C@H](C)NC(=O)NNC(=O)c1ccccc1O	838701374	GSBZIGYPNCUAHH-ZANVPECISA-N	307.350	1.150	50	20	DDGD	
COCC1(CNC(=O)NNC(=O)[C@H]2CCCCO2)CCCC1	836663136	YSQKPPAWURROGE-GFCCVEGCSA-N	313.398	1.093	50	20	DDGD	
C[C@H](c1ccccc1)c1cc(C(=O)N2CC[C@@H](B(O)O)C2)n[nH]1	585066030	IKOGGDGVTMSXEN-DGCLKSJQSA-N	313.166	1.250	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NNC(=O)C2CCC2)no1	732142905	MTDDBKUWXVAZDZ-UHFFFAOYSA-N	315.329	1.911	50	20	DDGD	
O=C(C[C@@H]1C[C@H]2CC[C@H]1O2)NNC(=O)c1cc2c(s1)CCC2	836214780	YFZRROAZYMFDQY-QJPTWQEYSA-N	320.414	1.955	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H]2C[C@@H](C)n3ccnc32)nc1	836627091	HDTAWQIOYNAXNQ-KOLCDFICSA-N	302.338	1.619	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)ccc1F	837038477	ULYBYHFHKNQLPN-SUZMYJTESA-N	308.309	1.623	50	20	DDGD	
COC(=O)[C@H]1C[C@H]2CC[C@H]1N(CCI)C2	839175832	XDUFJIWOQZNGIZ-KXUCPTDWSA-N	323.174	1.695	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2cc(C(F)(F)F)ccn2)CC1=O	832963359	XYYJPWCVSBIBQC-QMMMGPOBSA-N	316.283	1.412	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2ccnc(C)c2)n1	836551739	WUFSGDZSEHOVQE-UHFFFAOYSA-N	302.338	1.323	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C1CCn2ccnc21	834921534	GSFHBYRDXWILGM-UHFFFAOYSA-N	314.345	1.585	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNc1ncccc1C(F)(F)F	839688125	LUYYERNVPNDNOC-MRVPVSSYSA-N	318.299	1.691	50	20	DDGD	
CO[C@@H](C=NNC(=O)CNc1ccccc1)C1CCOCC1	834920369	JVZAWSPZXJEQBH-HNNXBMFYSA-N	305.378	1.642	50	20	DDGD	
CC(C)=CCC[C@H](C)CC(=O)NNC(=O)CN1CCCC1=O	913733500	LDZNMXCLXJBYMN-ZDUSSCGKSA-N	309.410	1.529	50	20	DDGD	
C[C@H](Oc1cccc(C=NNC(=O)[C@@H]2CCCCO2)c1)C(=O)O	834988527	JPYDRYQVYKYIJJ-FZMZJTMJSA-N	320.345	1.558	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H](C)Cc1cnn(C)c1	837514378	SMHKLVNGWMJPSU-LLVKDONJSA-N	316.361	1.529	50	20	DDGD	
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NNc2nccn(C)c2=O)o1	747945496	JIHGSXVQNVSYLC-PWSUYJOCSA-N	316.361	1.573	50	20	DDGD	
O=CNc1ccc(C(=O)NNc2nc(-c3cccnc3)no2)cc1	746241690	NQYZDLLDYLAWEI-UHFFFAOYSA-N	324.300	1.457	50	20	DDGD	
C[C@H](OCC1CC1)C(=O)NNC(=O)c1cccc2cccnc12	747424022	DLSMJAYBTWZRBR-NSHDSACASA-N	313.357	1.811	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)NC1CCCC1)C(=O)N2	743532386	YYDGZTZIELZRGX-UHFFFAOYSA-N	302.334	1.593	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ncccn1)[C@H]1CCC[C@@H](C)C1	841587208	MZPWAPUECWMOEX-WOPDTQHZSA-N	305.382	1.635	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=C2CCN(C)[C@H](C)C2)C[C@@H](C)O1	741455014	JXOOVKKSRPBISY-LJISPDSOSA-N	324.469	1.318	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@@H](CN)CC(C)C)cc1	841954299	QAHJAGJFIZAQPK-GFCCVEGCSA-N	323.397	1.404	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H](C)n1cnc2ccccc21	843648157	VXIZQYBOEHXQIS-SRVKXCTJSA-N	316.361	1.170	50	20	DDGD	
CSCc1noc(CCC(=O)NNC(=O)C2CCCC2)n1	746822393	XBUTWQUZVQZFMM-UHFFFAOYSA-N	312.395	1.203	50	20	DDGD	
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NN)cc1	916665545	HSLYPDDAUPQUJR-UHFFFAOYSA-N	305.359	1.115	50	20	DDGD	
Cc1nnc(NNC(=O)c2cc3cccc(F)c3o2)nc1O	743295475	MZBINFCLLVCXLP-UHFFFAOYSA-N	303.253	1.528	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H]2CCCN(C(N)=O)C2)c1	748896855	YTPPZXSLJSYWCB-VIFPVBQESA-N	310.329	1.068	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1cccc(N(C)C)c1)[C@@H]1CCOC1	841610162	ZVWQSOHWEWBDAC-HIFRSBDPSA-N	305.378	1.520	50	20	DDGD	
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NN(C)C[C@H](C)O	910176868	FSLRWQBAQAFZFE-BLLLJJGKSA-N	317.389	1.294	50	20	DDGD	
O=C(NCCNC1CC1)NNC(=O)Nc1cc(F)cc(F)c1	841929723	KOIJQZDXDMHUNH-UHFFFAOYSA-N	313.308	1.053	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncccn1)[C@@H]1C[C@H](C(=O)O)C1(C)C	848596855	ZKVSYWBNWFFAOY-KXUCPTDWSA-N	307.354	1.238	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC12CCOCC2)c1cc2c(s1)CCC2	748837328	GBQXJPVABHMRTH-NSHDSACASA-N	320.414	1.815	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNc1ccc(F)c([N+](=O)[O-])c1	842249749	DIXJSEMAOLQBAT-SECBINFHSA-N	313.285	1.766	50	20	DDGD	
CSCC1(CC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)CC1	844300471	MEKOGMCMGGKXTG-NSHDSACASA-N	320.480	1.012	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C[C@H](OC)[C@H]1CCOC1	841602671	HTFUGILKNJOAGL-WFASDCNBSA-N	321.377	1.261	50	20	DDGD	
C=C[C@@H](C)ONC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	845638084	CFJLXWLYBASZPW-ZJUUUORDSA-N	311.313	1.430	50	20	DDGD	
O=C(NCCCO[C@H]1CCOC1)NNc1ccc(F)c(F)c1	921418966	RWHITGVRASVQEW-NSHDSACASA-N	315.320	1.787	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNc1ccc(CC(=O)OC)cc1	846376737	DILGQPRCXHJEDP-CYBMUJFWSA-N	322.361	1.435	50	20	DDGD	
COC/C(C)=C\C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	844279196	BKQBGBGCZYUWAX-JYOAFUTRSA-N	306.406	1.943	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNc1ccc(CC(=O)OC)cc1	846375805	KRUOPJXMQSUXBV-NWDGAFQWSA-N	308.378	1.764	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H]2CCN[C@H](C)C2)cc1	841985758	HBYVJKYIBKRDJF-RISCZKNCSA-N	304.394	1.334	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)C2(S(N)(=O)=O)CC2)cc1	845931269	ZRRLPSPJJTUGIS-UHFFFAOYSA-N	311.407	1.248	50	20	DDGD	
CC(C)=C(C)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12	751202269	LUOBKPHXIVYERD-UHFFFAOYSA-N	314.345	1.051	50	20	DDGD	
CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)NNc1ccc(F)cn1	852691711	KNNLTALTTOMFQN-ABAIWWIYSA-N	324.356	1.969	50	20	DDGD	
Cc1cc(CC(=O)NN=C2CCOc3c(F)cccc32)n[nH]1	921257884	YFUKRGSFQOKZRC-UHFFFAOYSA-N	302.309	1.703	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNc2ccc([N+](=O)[O-])cc2F)CCO1	853946553	LIGJSEJHNIIHEU-BDAKNGLRSA-N	312.301	1.928	50	20	DDGD	
CCCCSCC(=O)NN(C)C(=S)NCCCOC	854280213	RLOAXHNMVJAVSL-UHFFFAOYSA-N	307.485	1.394	50	20	DDGD	
C[C@@H]1CC/C(=C\C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)C1	855831778	GWDONJYEZYSCNT-RVROTUBLSA-N	323.437	1.823	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H](C(=O)O)C2CCCC2)n1	852947452	KBIHFCDXLJEKDU-LLVKDONJSA-N	308.338	1.128	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@@]1(C#N)CC12CCCC2)C1CC1	855095559	PKDXJERDOMDQHU-BMIGLBTASA-N	306.435	1.754	50	20	DDGD	
C[C@@H]1COC[C@@H]1NC(=O)NNc1ccc2c(=O)[nH]ccc2c1	926016618	PGUNKMFYTVEOMO-RNCFNFMXSA-N	302.334	1.189	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H](C)c1cccc(OC)c1	920862614	FBJITDUEASMXNN-LLVKDONJSA-N	309.366	1.166	50	20	DDGD	
CCN1CCC[C@@H](NC(=O)NNc2ccccc2Cl)C1=O	925961009	QOPIGBOPNQOOII-GFCCVEGCSA-N	310.785	1.977	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)NCC1CCC1	851957169	KRPPCZDKAKBFKN-UHFFFAOYSA-N	312.414	1.059	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1[nH]c(C)nc1C	857015961	DNEYGECOUAJVQE-UHFFFAOYSA-N	302.334	1.039	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)CCCC(F)(F)F	854283169	KQRRALQOCLFADB-UHFFFAOYSA-N	315.361	1.593	50	20	DDGD	
C[C@H]1C[C@@H]1C=NNC(=O)Cc1csc(N2CCOCC2)n1	758374337	RMSCRMWFOVWJCM-WDEREUQCSA-N	308.407	1.280	50	20	DDGD	
O=C(/C=C/c1cccc(O)c1)NNC(=S)NCC1CCC1	855089613	YPTFTUUCOPUJBR-BQYQJAHWSA-N	305.403	1.701	50	20	DDGD	
O=C(CCc1cccc(Cl)c1)NNC(=O)CN1CCCC1=O	920434292	ZQGDXBWAWHOJPN-UHFFFAOYSA-N	323.780	1.042	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cn(CC(F)F)nc1C	929355281	SGHWZPCAKBKPQQ-UHFFFAOYSA-N	322.315	1.840	50	20	DDGD	
Cc1cc(C)c(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cc1C	853388116	BWVOCJIJDFYORW-SJORKVTESA-N	315.417	1.925	50	20	DDGD	
Cc1c(NNC(=O)[C@H]2CCn3cncc3C2)cccc1[N+](=O)[O-]	750923181	FFNKQRWMYBMHGZ-NSHDSACASA-N	315.333	1.805	50	20	DDGD	
NC(=O)c1cccc(C=NNC(=O)Cc2c[nH]c3ccccc23)c1	755562205	DBNKEASYSCKVML-UHFFFAOYSA-N	320.352	1.960	50	20	DDGD	
CO[C@]1(C)C[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)C1(C)C	852164131	QKKDKVRWTKBWOV-MEBBXXQBSA-N	324.356	1.368	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNC(=O)Cn1ccc2ccccc21	859229977	QWJHDMIHHAEIKY-OAHLLOKOSA-N	317.389	1.994	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@H](C)c1nc2ccccc2s1	754703423	RDNNQWVEQQABBN-VHSXEESVSA-N	320.418	1.893	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CN(CC)[C@H](C)C#N)cc1C	852644219	LHKZOAFZQVLMNA-LLVKDONJSA-N	322.434	1.614	50	20	DDGD	
CNC(=S)N(C)NC(=O)Cc1coc(-c2cccs2)n1	854924162	QPHSTIXKWDULTI-UHFFFAOYSA-N	310.404	1.413	50	20	DDGD	
CC(=O)c1ccccc1C(=O)NNC(=O)OCC(F)(F)F	856021629	RWSBVMFQFPLEFW-UHFFFAOYSA-N	304.224	1.823	50	20	DDGD	
O=C(CCCCc1cnn[nH]1)NNc1ccc([N+](=O)[O-])cc1F	855622424	FKGIIVPETBCWIS-UHFFFAOYSA-N	322.300	1.708	50	20	DDGD	
O=C(NN=C[C@@H]1C[C@H]1c1ccccc1)N[C@@H]1CCS(=O)(=O)C1	755664257	JOFPCBCXTBVSIE-MJBXVCDLSA-N	321.402	1.262	50	20	DDGD	
CC(C)[C@@H]1CCC[C@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1	858699245	MZNNFCUCMOBTHB-FRRDWIJNSA-N	324.425	1.200	50	20	DDGD	
CN(CCn1cccn1)C(=O)NC[C@]1(C)C[C@H]1Br	856900261	VLLUGDKCBBZCQB-PWSUYJOCSA-N	315.215	1.698	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)C[C@](C)(O)C2CC2)cc1C	755406718	PHHFPILOKDDGHI-KRWDZBQOSA-N	320.389	1.381	50	20	DDGD	
CCOC(=O)C[C@@H]1CCCCC1=NNC(=O)CN1CCCC1=O	754918851	VQFIDNOOSAMRQS-LBPRGKRZSA-N	323.393	1.224	50	20	DDGD	
O=C(NNC(=O)c1ccnn1CC1CCC1)c1ccccc1F	864444992	LXAWMIHLDZZNEG-UHFFFAOYSA-N	316.336	1.897	50	20	DDGD	
CCCCC1CCC(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1	862450630	XYVVQAWPNYUHJH-WXRRBKDZSA-N	309.410	1.409	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(C)n(C)n2)c([N+](=O)[O-])c1	768331425	BBKGXUAAIQMCAC-UHFFFAOYSA-N	305.294	1.402	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cc(F)c(F)cc1F	767785953	TYJIFLVVRAZBDQ-UHFFFAOYSA-N	315.295	1.859	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(O[C@@H](C)CC)cc1	763440438	FEITUVUMZBLDKV-JTQLQIEISA-N	307.350	1.360	50	20	DDGD	
CC(=NNC(=O)CN1CCCC1=O)c1nc2c(s1)CCCC2	761256827	XVIXMQGKMDPEFV-UHFFFAOYSA-N	320.418	1.485	50	20	DDGD	
Cc1cc(=NNC(=O)C[C@@H](C)NC(=O)OC(C)(C)C)cc[nH]1	862512956	MVVFKKZPKOBEKN-LLVKDONJSA-N	308.382	1.558	50	20	DDGD	
CCSc1cccnc1C(=O)NNC(=O)Cc1cc(C)[nH]n1	869015924	COSKVRHNAGYBMD-UHFFFAOYSA-N	319.390	1.229	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CC2(CN(Cc3ccccc3)C2)C1	869814783	FZCUHPHHNSOIBY-MHWRWJLKSA-N	311.385	1.775	50	20	DDGD	
CCCOc1cc(C=NNC(=O)c2cn[nH]c2)ccc1OC	863155879	CDHJXOQRAGBGRY-UHFFFAOYSA-N	302.334	1.971	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cncn1-c1ccc(F)cc1	760912009	LLLHTGPCWXQZIT-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
Cc1cc(=NNC(=O)CCNC(=O)C2CCCCC2)cc[nH]1	862510667	PKRZVWDAESOCGR-UHFFFAOYSA-N	304.394	1.342	50	20	DDGD	
COC(=O)CCCC(=O)NNC(=O)c1cc(Cl)ccc1O	764449097	BZONGIPPACOGGW-UHFFFAOYSA-N	314.725	1.150	50	20	DDGD	
Cc1cc(C)c(NNC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)c(C)c1	760203400	LHYOVQOOOHGAEB-OLZOCXBDSA-N	320.393	1.271	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)COCc2ccccc2)CCC1=O	764317181	DEIOLQJXMUKMLZ-GXTWGEPZSA-N	318.373	1.356	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1cc(O)ncn1	862000077	IJYIWTOLHZSZMJ-UHFFFAOYSA-N	308.729	1.506	50	20	DDGD	
CON(C)C(=O)[C@@H](C)NC(=O)[C@@H](Br)C(C)(C)C	863708678	OQCCGLVUNRNVMP-HTQZYQBOSA-N	309.204	1.321	50	20	DDGD	
C[C@@H]1Oc2c(cccc2C(=O)NNc2ncc(F)cn2)NC1=O	760928487	OKRUBCIUAUJGHP-ZETCQYMHSA-N	317.280	1.092	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1	763462848	NBOPQIIYGLPDFT-UHFFFAOYSA-N	317.305	1.198	50	20	DDGD	
COC(=O)CCc1cccc(NCc2ccc(B(O)O)cc2)c1	864011443	ZUOOQCNXLPFHDH-UHFFFAOYSA-N	313.162	1.084	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@H](C)N(C)C[C@@H]1C	769141216	KFDYHLAIANFVRO-QWRGUYRKSA-N	312.845	1.903	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cccc(OC(F)F)c1)N(C)C	765406374	NJEXYZAOYFYGHD-NSHDSACASA-N	315.320	1.389	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1ccnc(Cc2ccccc2)n1	1116624206	FNDTWKDFKSEYFF-UHFFFAOYSA-N	311.345	1.630	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccnc1OCC(F)F	879068535	YFAIJHACZXUREQ-UHFFFAOYSA-N	304.297	1.340	50	20	DDGD	
COCCNC(=O)C1CCN(C[C@@H](C)CBr)CC1	770646692	RCRPNIVCIGKFBA-NSHDSACASA-N	321.259	1.492	50	20	DDGD	
N#Cc1ccc(NNC(=O)C(=O)Nc2ccc3c(c2)OCO3)cc1	773702626	ZWNQLPBSYLIMCF-UHFFFAOYSA-N	324.296	1.369	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCC2)c1ccccc1Cl	1115851518	BCYAZSNSEPUXBU-UHFFFAOYSA-N	304.737	1.627	50	20	DDGD	
CCC[C@@H]1C[C@H](C(=O)O[C@H](C)C(=O)NNC(=O)CC)CCO1	772254524	IYLONGSSRWMXMJ-IJLUTSLNSA-N	314.382	1.071	50	20	DDGD	
CC1(OCC(=O)NNC(=O)COc2ccccc2F)CCC1	773251902	PBMLKLRFJXSZPG-UHFFFAOYSA-N	310.325	1.311	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1Cl)N(C)C	873814082	GFIRMFDQHVBUQV-SSDOTTSWSA-N	304.177	1.705	50	20	DDGD	
CC(C)CONC(=O)NNc1cccc(S(C)(=O)=O)c1	776625571	LGIFXEOJWFGCOI-UHFFFAOYSA-N	301.368	1.304	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C(C)(C)c1ccccc1	871595704	JCMDAJQTQJQSEA-UHFFFAOYSA-N	323.462	1.838	50	20	DDGD	
O=S(=O)(CCCCl)NCc1cccc2c1OCCO2	881855508	RPAMQNMJZCMJBM-UHFFFAOYSA-N	305.783	1.506	50	20	DDGD	
O=C(NNC(=O)N1CC=CCC1)c1cnn(-c2ccccc2)c1	778663896	CFFLCAFOTFSFGV-UHFFFAOYSA-N	311.345	1.489	50	20	DDGD	
C[S@@](=O)c1ccc(C=NNC(=O)Cc2ccncc2)cc1	1116202285	GYVWANXMZKMRFY-OAQYLSRUSA-N	301.371	1.512	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@H](CC)CO)cc1	779579863	VBDBSBQLXRQTMF-NWDGAFQWSA-N	324.377	1.019	50	20	DDGD	
CS(=O)(=O)Cc1ccc(C(=O)NCCCSC#N)cc1	773584374	ABSSPLAFFXERDR-UHFFFAOYSA-N	312.416	1.565	50	20	DDGD	
C[C@@H](NC(=O)CC(C)(C)C)C(=O)NNc1cccc(C#N)c1	779008157	GNAHMUOSXNREAJ-LLVKDONJSA-N	302.378	1.942	50	20	DDGD	
CNC(=O)NNC(=O)c1cccc(Br)c1Cl	779888043	QGBPNKBYKXMKHK-UHFFFAOYSA-N	306.547	1.676	50	20	DDGD	
CNC(=O)CCCCC(=O)NNC(=O)c1cc2c(s1)CCC2	779724105	DJJDGFKESYFMPB-UHFFFAOYSA-N	323.418	1.304	50	20	DDGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)c1cnn2cccnc12	771595901	RHNPRHCWTDEOMZ-UHFFFAOYSA-N	316.252	1.534	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc2nsnc2c1	770549338	NBUNMESBGKRRPU-UHFFFAOYSA-N	301.331	1.105	50	20	DDGD	
C=CCC1(O)CCN(C(=O)NNC(=O)c2ccccc2)CC1	884036092	OLKQQQSVDNCNJN-UHFFFAOYSA-N	303.362	1.444	50	20	DDGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)CC1COC1	771603226	LHEWJKCHWWVBPH-UHFFFAOYSA-N	314.794	1.616	50	20	DDGD	
COc1cccc(NNC(=O)Nc2cc(CN(C)C)ccn2)n1	880600519	QNARZNHTSHZIGV-UHFFFAOYSA-N	316.365	1.695	50	20	DDGD	
O=C(CCCOc1ccc(F)cc1)NNC(=O)C1CCOCC1	883061342	QMASTHAYVWNIFW-UHFFFAOYSA-N	324.352	1.559	50	20	DDGD	
COC1(C(=O)NNC(=O)COc2ccc(C)c(C)c2)CCC1	781589489	JKRBMCWVHDFGDO-UHFFFAOYSA-N	306.362	1.399	50	20	DDGD	
N#CCOc1ccc(CC(=O)NNc2ncncc2Cl)cc1	781824075	BFPZVUSTDYJJMI-UHFFFAOYSA-N	317.736	1.718	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CCOC3(CCC3)C2)nc1	897234687	MKPRZLXKKDHELF-NSHDSACASA-N	319.361	1.661	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1ccccc1	785352190	UOKHYXLUGPXOOZ-KWJWQAOWSA-N	315.329	1.083	50	20	DDGD	
COc1ccc(NNC(=O)c2ncc(C#N)cc2Cl)nc1	781526899	JEESGQZGRNFZGA-UHFFFAOYSA-N	303.709	1.767	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=C1CCc2cc(O)ccc21	780243876	ZZELYMCHFGESTK-UHFFFAOYSA-N	319.361	1.683	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1csc(NC2CC2)n1	781829480	JWQJFPJCXLLNLR-UHFFFAOYSA-N	310.770	1.918	50	20	DDGD	
COc1nccnc1NNC(=O)C[C@H](c1ccccc1)N(C)C	791226326	WFLUYNOBWVLEBI-CYBMUJFWSA-N	315.377	1.621	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C1CCC(NC(=O)C2CC2)CC1	795078911	XFUKKJQZCJMEPM-UHFFFAOYSA-N	323.437	1.655	50	20	DDGD	
CC(C)O[C@H](C(=O)NNC(=O)c1cnn(C)c1)c1ccccc1	794339352	KHKORUIZRKAYSO-AWEZNQCLSA-N	316.361	1.347	50	20	DDGD	
COc1c(C(=O)NNC(=O)c2ccccn2)cccc1[N+](=O)[O-]	792765008	WUHHUWJZNLBIJU-UHFFFAOYSA-N	316.273	1.073	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H](O)c2ccccc2Cl)n1	794081901	SUAUESACEITWIE-CYBMUJFWSA-N	319.748	1.538	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)NCC(F)(F)F)[C@@H](n2cncn2)C1	794493767	FTHDWLGWZQXFDV-WPRPVWTQSA-N	318.303	1.857	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCCC[C@H]1c1cc[nH]n1	796196199	OKTJVEWLSBOMEJ-OCCSQVGLSA-N	321.425	1.519	50	20	DDGD	
O=C(NNC(=S)NCCCCC(F)(F)F)c1ccc[nH]1	794969453	KRVOIZCFLCVWPM-UHFFFAOYSA-N	308.329	1.856	50	20	DDGD	
Cc1ncc(NC(=O)NNc2cccc(F)c2[N+](=O)[O-])cn1	790502896	XZZLMTUPZXWUAT-UHFFFAOYSA-N	306.257	1.981	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)c1cc2c(s1)CCC2)C(C)C	798555683	OJYGNRWDNWSSIK-LLVKDONJSA-N	305.403	1.839	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	794612980	HUZDOZAZUPORIU-OAHLLOKOSA-N	305.334	1.405	50	20	DDGD	
CCN1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)CBr	394379839	LYNYMDCVNICETQ-ZJUUUORDSA-N	311.245	1.227	50	20	DDGD	
Cc1nc(N2CCOCC2)sc1C=NNC(=O)CC1CC1	1324207771	QSDIYIAHHDSDJQ-UHFFFAOYSA-N	308.407	1.538	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2c(O)cccc2O)cc1	1324777073	UBGBYTPLZXJUAG-UHFFFAOYSA-N	302.286	1.181	50	20	DDGD	
C=CCSCCNC(=O)NNC(=O)c1ccc(OC)cc1	1325091283	LNCDUPNNOUWBBB-UHFFFAOYSA-N	309.391	1.558	50	20	DDGD	
CNC[C@H](C)CNC(=O)NNC(=O)c1cccc2ccccc12	1327487599	SWWBTPZUUJFLQF-LBPRGKRZSA-N	314.389	1.639	50	20	DDGD	
Cc1ccccc1-n1cc(C(=O)NNC(=S)NC(C)C)nn1	1325554043	FVOUMSRCMFSTCS-UHFFFAOYSA-N	318.406	1.093	50	20	DDGD	
O=C(NNC(=O)[C@@]1(F)CCOC1)c1cc2ccccc2cc1O	1328878125	QGBWCUVDXIDKQD-MRXNPFEDSA-N	318.304	1.435	50	20	DDGD	
O=C(NNC(=O)[C@]1(F)CCOC1)c1cccc2ccccc12	1326742541	RYNKLZYEEONRJP-INIZCTEOSA-N	302.305	1.729	50	20	DDGD	
CC[C@@H](OC)C(=O)NNC(=O)c1cncn1-c1ccccc1	1251326482	VDXHFYBDVSHFNE-CYBMUJFWSA-N	302.334	1.058	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NC1(C(F)(F)F)CC1	1336364431	QBNYEYLUDGBBNO-UHFFFAOYSA-N	319.258	1.794	50	20	DDGD	
CC1=NO[C@@](C)(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)C1	1336784354	SAOFVIJJSWPFQU-MRXNPFEDSA-N	314.345	1.413	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2ccccc2OCC(F)F)N1	1331976827	QDPBPGYNEJGJPR-JTQLQIEISA-N	311.288	1.059	50	20	DDGD	
C/C(=C/c1ccco1)C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1331965527	VBTLCMFAGAEPDC-KTKRTIGZSA-N	314.345	1.746	50	20	DDGD	
O=C(NNC(=O)c1ncoc1[C@@H]1CCCO1)OCC(F)(F)F	1334567676	XHKPOLOIUUAYEL-LURJTMIESA-N	323.227	1.459	50	20	DDGD	
CC1(C)C[C@@H](C(=O)NNc2cc(O)nc3ncccc23)CCO1	1336068825	CRWMLHNDKIJEQD-JTQLQIEISA-N	316.361	1.984	50	20	DDGD	
COC(=O)C12CCC(C(=O)NNC(=S)NC(C)C)(CC1)C2	1343671700	ACFQDHQCRUAWDJ-UHFFFAOYSA-N	313.423	1.014	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)N[C@@H]2CCC[C@@H](F)C2)c1	1261454394	HQNOFXFHSUBCDK-CHWSQXEVSA-N	322.384	1.977	50	20	DDGD	
CCC[C@H](CNC(=O)NNc1nncc(N)c1Cl)OCC	1348121927	CEVRGUXCFBPURC-MRVPVSSYSA-N	316.793	1.544	50	20	DDGD	
CN(C)CCN1CCN(C(=O)C2CCC(Cl)CC2)CC1	1346242534	YPKWBBVRHJHYKT-UHFFFAOYSA-N	301.862	1.490	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)C2CCNCC2)cc1F	1351972589	OYPMQEQWIOVDBX-UHFFFAOYSA-N	323.372	1.044	50	20	DDGD	
O=C(C[C@@H]1CCCO1)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1606502864	UGIADWDLQLVXND-VIFPVBQESA-N	322.756	1.532	50	20	DDGD	
O=C(CCc1ccccc1C(=O)O)NNc1nccnc1Cl	1608318409	NWGRJSIODGTEAA-UHFFFAOYSA-N	320.736	1.904	50	20	DDGD	
Cc1cc(CNC(=O)NNc2ccc(C(=O)O)c(F)c2)on1	1600201667	LUPQBSDCTMWEDW-UHFFFAOYSA-N	308.269	1.647	50	20	DDGD	
O=C(O)C(=O)NN=C1CC(c2ccc(Br)cc2)C1	1601637614	DMKXXJPOXSOEDB-UHFFFAOYSA-N	311.135	1.883	50	20	DDGD	
O=C(NNc1cccc(F)c1Br)[C@H]1C[C@H]1C(=O)O	1601560748	XACFJWDAUNAAKH-NTSWFWBYSA-N	317.114	1.752	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)[C@@H]2CC2(Cl)Cl)cc1	1608780409	INSZFKZUYSGYRX-VIFPVBQESA-N	303.145	1.951	50	20	DDGD	
N#Cc1cccc(NNC(=O)NCc2ncc(C(=O)O)s2)c1	1601120604	ARSMWJYUQZIBMU-UHFFFAOYSA-N	317.330	1.539	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1ccc(OC(F)F)c(Cl)c1	1602072165	UFGBRJVRXBKXMJ-UHFFFAOYSA-N	321.667	1.659	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)[C@H]2CO[C@H](CCC(=O)O)C2)c1	1605282200	PYIZPRRZDBEPSW-GHMZBOCLSA-N	310.325	1.847	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)s1	1549317114	JRYAEQKEFLFOKW-CMPLNLGQSA-N	309.391	1.070	50	20	DDGD	
CC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)S	1802294784	MEMWNACYKREJQL-ZIQFBCGOSA-N	318.870	1.960	50	20	DDGD	
COc1ccc2cc(C(=O)NNC(=O)CCCN)sc2c1	1579250439	QHLQNWRFDCHWAX-UHFFFAOYSA-N	307.375	1.410	50	20	DDGD	
C#CCNCC(=O)NNc1cc(OC)ccc1Br	1574736422	VFNFPUQASJTQIB-UHFFFAOYSA-N	312.167	1.124	50	20	DDGD	
C[C@H](C(=O)NNC(=S)NC(C)(C)C)[C@H](N)c1ccccc1	1575070769	DCYJCWGJAUHSOB-JQWIXIFHSA-N	308.451	1.616	50	20	DDGD	
O=C(NNC(=O)C1(F)CCNCC1)c1ccc2ccccc2n1	1580733456	VBIKJAUUDUKEAI-UHFFFAOYSA-N	316.336	1.088	50	20	DDGD	
O=C(C(Cl)Cl)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@@H]1F	1847982948	MBCHKYJGEQEYKM-XGEHTFHBSA-N	309.168	1.350	50	20	DDGD	
Cc1c[nH]cc1C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843363572	NCGOCPNKOKOTCY-LLVKDONJSA-N	313.760	1.675	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCS1)c1ccc(-c2nn[nH]n2)s1	1588773085	STWFUNBYVVBWIM-SNVBAGLBSA-N	322.419	1.664	50	20	DDGD	
N#Cc1c[nH]c(C(=O)N2CC3(CCCN3C(=O)[C@H](F)Cl)C2)c1	1843364933	MZTFNZQAJWEYNN-NSHDSACASA-N	324.743	1.238	50	20	DDGD	
CC(C)O[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843364276	AQQHLBXMUCHVHM-GHMZBOCLSA-N	320.792	1.538	50	20	DDGD	
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1nccs1	1593160105	KPXHDGPUSMHIHU-UHFFFAOYSA-N	322.741	1.129	50	20	DDGD	
CCOCc1nc(C)cc(NNC(=O)[C@H](C(=O)O)C(C)(C)C)n1	1591986745	IKLWXMRLYNENCQ-GFCCVEGCSA-N	324.381	1.512	50	20	DDGD	
COC(=O)CCN(CC(=O)O)C(=O)c1cccc(CCl)c1	1593840151	OIJYKZSUZPQCNB-UHFFFAOYSA-N	313.737	1.515	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@]2(C(=O)O)C[C@H]3CC[C@H]2C3)n1	1594388330	WHMMYRBEQPUHBF-MMPTUQATSA-N	317.345	1.042	50	20	DDGD	
O=C(O)[C@@]1(C(=O)NNc2nc3ccccc3[nH]2)C[C@H]2CC[C@H]1C2	1594867683	QMDLNRUUEKYWGL-PUTJDCORSA-N	314.345	1.897	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=Cc1ccc(C(=O)O)cc1Cl	1776058354	ZDDNWUNPMIEFDY-UHFFFAOYSA-O	318.740	1.476	50	20	DDGD	
Nc1ccc(C(=O)NN=Cc2cccn3c(C(=O)O)cnc23)cc1	1776014933	PJJUGHHRCSAVIW-UHFFFAOYSA-N	323.312	1.379	50	20	DDGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(N)=O)c1C	5972125	WVABJODODKFRSI-RIYZIHGNSA-N	303.362	1.841	50	20	DDGD	
O=S(=O)(c1ccc(CCCl)cc1)N1CC[C@@H](CO)C1	162620382	OWSTXBDDMBMKCT-GFCCVEGCSA-N	303.811	1.471	50	20	DDGD	
CCCCN1CCC(NC(=O)NNC(=O)c2ccccc2)CC1	158547073	FFQSSOKPCDKHSU-UHFFFAOYSA-N	318.421	1.895	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CSc3ccccc32)[nH]n1	153367016	WENDPTLBGCSKPS-SNVBAGLBSA-N	302.359	1.369	50	20	DDGD	
CN1C[C@@H](C(=O)NNc2ccc(C(F)(F)F)cc2)CC1=O	153713248	FDFMOJATQFPBRP-QMMMGPOBSA-N	301.268	1.627	50	20	DDGD	
O=S(=O)(c1ccc(CCl)cc1)N1CCN2CC[C@H]1C2	381901897	LSEAMCOCGBBXRZ-LBPRGKRZSA-N	300.811	1.504	50	20	DDGD	
CN(C)C(=O)O[C@H]1CCN(S(=O)(=O)CCCCCl)C1	495918840	GWEMHXMAJDZSCJ-JTQLQIEISA-N	312.819	1.108	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1C	109858497	POMRTQZVQKWVMP-UHFFFAOYSA-N	303.278	1.010	50	20	DDGD	
CCCN1CC[C@@H](CNC(=O)NNC(=O)c2ccccc2F)C1	54806262	HWZPDVKLHJGLIQ-LBPRGKRZSA-N	322.384	1.502	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1cccc([N+](=O)[O-])c1	103504478	GOWPZLSXPGFNLC-UHFFFAOYSA-N	315.289	1.385	50	20	DDGD	
O=C(NNc1cccc(F)c1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O	178920756	WYMMVYMMJWNQJA-NXEZZACHSA-N	319.258	1.726	50	20	DDGD	
O=C(COC1CCCC1)NNC(=O)NCCc1cccs1	65198838	CYZSPZKLDAYGIR-UHFFFAOYSA-N	311.407	1.580	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2ccc(-n3ccnn3)cc2)n1	179820869	PUPSIFYMDMWQCX-UHFFFAOYSA-N	324.348	1.823	50	20	DDGD	
Cc1nc(CC(=O)NNC(=O)COc2ccc(F)cc2)cs1	26509482	WBGBVHAYLHEPDT-UHFFFAOYSA-N	323.349	1.360	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1cccnc1)c1cccc(O)c1	112457568	OSRGRJGEQCANGF-NSHDSACASA-N	314.345	1.421	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2cc(F)c(F)cc2F)CC1=O	115720726	VBZZPCDXDKOTPS-ZETCQYMHSA-N	301.268	1.415	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(C(F)(F)F)cc1	66595269	IMNNBRLKYHVJEB-UHFFFAOYSA-N	305.256	1.895	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1cccc(F)c1Cl	173935870	BFCJLXXSPRANJN-UHFFFAOYSA-N	306.688	1.902	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccn(Cc2ccncc2)n1	179867474	GYFSCDYZLWLFGV-UHFFFAOYSA-N	316.365	1.525	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)/C=C/c1ccccc1C	172636412	RKLJHPRQODSZGR-ZHACJKMWSA-N	317.389	1.460	50	20	DDGD	
Cc1nc(Cl)ccc1C(=O)NNC(=S)NC(C)(C)C	129269716	RPRFOHCINIRETF-UHFFFAOYSA-N	300.815	1.951	50	20	DDGD	
O=S(=O)(NC[C@H]1CCCO1)c1ccc(CCCl)cc1	20190721	MWKZMEAWKLBZSG-GFCCVEGCSA-N	303.811	1.925	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@H](C)C2CCC2)c1	121298721	QWQUKODIRQSDSG-GFCCVEGCSA-N	305.378	1.893	50	20	DDGD	
COC[C@@H](C)NC(=O)NNC(=O)c1cn(C)c2ccccc12	73384700	WHSBWTSAAMXEBF-SNVBAGLBSA-N	304.350	1.157	50	20	DDGD	
CCN1CCC[C@@H]1CNC(=O)c1c(C)nn(CCCl)c1C	72825787	RRKHXJNNANRBGY-CYBMUJFWSA-N	312.845	1.953	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2ccncc2F)c1	78060721	RNGGVJTXUBYVRD-UHFFFAOYSA-N	302.309	1.362	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1nc2ccccc2[nH]1	127585187	JMAXMTNTGGIONM-SKDRFNHKSA-N	317.349	1.133	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)C(=O)Nc1ccnn1C(C)C	187456949	CAWINMVADNQONQ-UHFFFAOYSA-N	319.340	1.993	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CSCc1cscn1	127853653	GSKXGPDDYKMGQG-UHFFFAOYSA-N	318.493	1.670	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1	44014621	WWPOEFCMPUYOCU-UHFFFAOYSA-N	306.322	1.315	50	20	DDGD	
CC[C@@H]1CCCN(CC(=O)NNC(=O)Cc2ccccc2C)C1	136543942	XLIBNJLXBZUBDN-OAHLLOKOSA-N	317.433	1.807	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cnns2)c1C	47816527	RDBICIPTXYTOHH-JTQLQIEISA-N	320.374	1.383	50	20	DDGD	
CCOC1CC(CCNC(=O)NNc2cncc(Cl)n2)C1	191665441	YTXZGLACAQETSY-UHFFFAOYSA-N	313.789	1.961	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@@H]1CCO[C@H]1c1ccccc1	83226243	FFVXPQKNMPGCSA-OLZOCXBDSA-N	305.378	1.893	50	20	DDGD	
Cc1noc2ncc(C(=O)NNc3nc4ccccn4n3)cc12	191926794	ZUUWRUVVOYIIDX-UHFFFAOYSA-N	309.289	1.331	50	20	DDGD	
O=C(NNC(=O)C1(O)CCCCC1)c1cc2ccccc2o1	86590703	JAOVGWPLNYEXIC-UHFFFAOYSA-N	302.330	1.889	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)C(C)(C)CCCc1ccccc1	192924603	ZAQKKVWUDWIBII-UHFFFAOYSA-N	306.406	1.954	50	20	DDGD	
C=C[C@@](C)(CC)C(=O)NNC(=O)CNc1cccc(OC)c1	134921586	QYLNKBFKRDCUPS-INIZCTEOSA-N	305.378	1.857	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccc(OC(F)(F)F)cc1	190068880	MXNGWGYTJKIZCE-UHFFFAOYSA-N	306.240	1.117	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)c2c[nH]c3ccccc23)n(C)c1	135909377	ANKZREHOCIZVNB-UHFFFAOYSA-N	324.340	1.784	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnc([C@@H]3CCCO3)s2)o1	89775333	HWANKJAVDGYQKC-JTQLQIEISA-N	321.358	1.971	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCCCn2ccnc2)cc(C#N)n1C	192796146	TWAFGAVINSIDJK-OVCLIPMQSA-N	322.372	1.515	50	20	DDGD	
CCCc1cc(NC(=O)NNc2ccc(Cl)nn2)n(C)n1	91093385	RYRASEXXYHIUCU-UHFFFAOYSA-N	309.761	1.965	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)/C=C\c2ccc3ccccc3n2)cn1	255059634	GEVJZHPQULILJA-HJWRWDBZSA-N	321.340	1.443	50	20	DDGD	
COCC[C@H](C)NC(=O)NNC(=O)C(C)(C)c1ccccc1	264681683	ZGNRZMZLHRPQIO-LBPRGKRZSA-N	307.394	1.720	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNc1ccc(Cl)nn1	265482495	LXNLMWNWPYWNPG-UHFFFAOYSA-N	301.734	1.098	50	20	DDGD	
Cc1onc(-c2ccncc2)c1C(=O)NNC(=O)NC(C)C	268874434	WBXLGKCIOFXDEG-UHFFFAOYSA-N	303.322	1.397	50	20	DDGD	
CC(C)[C@@H](N)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	269063599	YJKJNAJQFRUZGI-SNVBAGLBSA-N	309.757	1.816	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)CNc1cccc(OC)c1	265909732	WHHDAHQKYOQVOU-UHFFFAOYSA-N	318.333	1.119	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)CC1	268045770	PAGUMRXMOVEWDF-UHFFFAOYSA-N	322.321	1.435	50	20	DDGD	
CC(C)(C)OCc1cc(C(=O)NNC(=O)NC2CCCC2)no1	274427970	DMDUYYGQZXEEBA-UHFFFAOYSA-N	324.381	1.876	50	20	DDGD	
COc1ccc2nc(NC(=O)NNC(=O)CN(C)C)sc2c1	274739199	JLHVLHLWHSKBEZ-UHFFFAOYSA-N	323.378	1.019	50	20	DDGD	
Cc1c(F)cccc1NC(=O)C(=O)NNC(=O)OC(C)(C)C	274147729	CIDWWUJOKZJCHI-UHFFFAOYSA-N	311.313	1.629	50	20	DDGD	
CCOC(=O)C[C@@H](C)CNC(=O)NNC(=O)c1ccc(C)o1	270462317	RTHBEBAHPGFWJQ-SECBINFHSA-N	311.338	1.121	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)C1Cc2ccccc2C1	278255081	UZXUKWCDZFCPFB-UHFFFAOYSA-N	324.380	1.887	50	20	DDGD	
O=C(NNc1ncccn1)[C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2	372272140	DKBZGQLEFUQPAI-FNCVBFRFSA-N	302.256	1.276	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)CNc2ccccc2OC)C1	286997082	GRCORIHOHSGKHO-UHFFFAOYSA-N	321.377	1.070	50	20	DDGD	
O=C(NC[C@H]1CCOC1)NNc1ccc2c(O)nccc2c1	287483789	KIMHTJPDYOSIKE-SNVBAGLBSA-N	302.334	1.603	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NC[C@H]1CCCSC1	287858226	CUDYMUHPZWPMRQ-GFCCVEGCSA-N	308.407	1.098	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)cn1	285532681	PXVXLUCBYQLIMT-KWCYVHTRSA-N	304.394	1.788	50	20	DDGD	
C[C@@H]1CC[C@@H](CC(=O)NNc2ccc(-n3ccnc3)nn2)C1	286682905	QDQKKXRPLDPDGX-VXGBXAGGSA-N	300.366	1.932	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2ccc(C)cc2O)SCCO1	287552855	OZQUKTYURAMKOH-UHFFFAOYSA-N	308.359	1.457	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNc1nc(-c2ccccc2)no1	289769445	QTLZZKCFDNGABI-SNVBAGLBSA-N	318.333	1.769	50	20	DDGD	
CCOC(=O)C1(CNC(=O)NNc2cccc(F)n2)CCC1	805146534	IOBQQHYZHJLSBC-UHFFFAOYSA-N	310.329	1.580	50	20	DDGD	
Cc1ccc2cccc(C(=O)NNC(=O)[C@@H]3CC[C@H](C)O3)c2n1	294312929	RRHZLOSEGJIPHG-FZMZJTMJSA-N	313.357	1.872	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)N1CCOCC1)c1ccc(F)cc1	299335723	DCAOQCNAIWMDTM-NSHDSACASA-N	309.341	1.392	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)c(C)nn1	802005236	ZUVWYUUPSMJDGP-UHFFFAOYSA-N	321.287	1.838	50	20	DDGD	
CO[C@](C)(C(=O)NNc1nc(-c2ccccc2)no1)C1CC1	291653132	ILRLGMPOSKNOQH-HNNXBMFYSA-N	302.334	1.995	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccc(C(F)(F)F)[nH]2)n1	807954755	CHMQMUBYLDLVNM-UHFFFAOYSA-N	313.283	1.997	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1csc(C2CC2)n1	802025256	YFGPMGHZVDLZDP-UHFFFAOYSA-N	303.347	1.304	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1ccnc(N2CCCC2)n1	293672717	KMEPMZFJQAAEEM-UHFFFAOYSA-N	318.768	1.882	50	20	DDGD	
O=C(CO)NNC(=O)Nc1cccc(Br)c1Cl	801946760	OEAPAPPVVBRURV-UHFFFAOYSA-N	322.546	1.248	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1ccnc(NC(=O)C2CC2)c1	803089792	JFBSKTZVJFQTFS-UHFFFAOYSA-N	315.308	1.721	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2ccc(OC)cc2)O1	802057367	PZOVITGQJKWSAA-AAEUAGOBSA-N	307.350	1.806	50	20	DDGD	
COCCOc1ccc(NC(=O)NNC(=O)C(C)(C)C)cn1	299206083	QULGYHWOMBJFDO-UHFFFAOYSA-N	310.354	1.306	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2cccc(C#N)c2)n(C)c1C	800812538	GTRCKVGNVJDCNR-UHFFFAOYSA-N	324.340	1.756	50	20	DDGD	
CCC(=O)NNC(=O)Nc1nc(-c2ccc(OC)cc2)ns1	809927311	DDVFNYQPVBUAHN-UHFFFAOYSA-N	321.362	1.776	50	20	DDGD	
O=C(Cc1ccncc1)NN=C1CCO[C@H](C(F)(F)F)C1	814862619	NYELAFBYIBGXLT-NSHDSACASA-N	301.268	1.838	50	20	DDGD	
CN1CCC(CC(=O)NNC(=O)Cc2ccc(Cl)cc2)CC1	813368134	WZCFSWUZVALRTM-UHFFFAOYSA-N	323.824	1.762	50	20	DDGD	
CNc1ccc(Cl)c(C(=O)NNc2ncnc3[nH]cnc23)c1	816929805	OISATBQRBKXLEY-UHFFFAOYSA-N	317.740	1.805	50	20	DDGD	
Cn1cncc1C(=O)NNC(=O)NCc1ccc(Cl)cc1	813531299	FNKNRTAPVJIFOV-UHFFFAOYSA-N	307.741	1.218	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)Cc1cn2ccccc2n1	811644524	ZOUJYYOUGCWCIH-GFCCVEGCSA-N	313.361	1.038	50	20	DDGD	
Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NN(C)C1CC1	819652544	UWFZWXUGLDGMAW-UHFFFAOYSA-N	310.707	1.989	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](c2ccccc2)C1	814641691	KCRFSHLNPWMEJZ-DZGCQCFKSA-N	303.406	1.812	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1ccc(Cl)nc1	814952080	JZMUENNZRKWBQI-UHFFFAOYSA-N	305.721	1.970	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NOC/C=C\Cl)c2ccccc21	811850723	CVNGCSQOAGDOGZ-DAXSKMNVSA-N	322.752	1.806	50	20	DDGD	
CCOc1ccc(NNC(=O)C(=O)Nc2cccnc2)cc1	815814978	FYUYIFKTWNNJKW-UHFFFAOYSA-N	300.318	1.562	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccccc1-n1cccc1	813545502	IYPWVXJAPXNZQI-UHFFFAOYSA-N	316.361	1.458	50	20	DDGD	
CC(C)[C@@H]1CC(=NNC(=O)Cc2cc(O)nc(O)n2)CS1	814860163	MGZAMDYFBXTMCG-JTQLQIEISA-N	310.379	1.064	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1cn[nH]c1-c1cccs1	812439657	PCMJRIRWPBBBST-UHFFFAOYSA-N	317.374	1.211	50	20	DDGD	
COC(=O)c1ccc(Cl)c(C(=O)NNc2cnccn2)c1	810405707	LFICEIIEIHIOOM-UHFFFAOYSA-N	306.709	1.674	50	20	DDGD	
COCC(=O)NN=C(C)c1ccc(OCc2nccn2C)cc1	814872184	FUTYTHOXQCLBDC-UHFFFAOYSA-N	316.361	1.486	50	20	DDGD	
Cc1nc(CC(=O)NN=C2CC[C@@H](C(=O)O)C[C@@H]2C)cs1	814740413	TVKQJXGBXWNFEO-WCBMZHEXSA-N	309.391	1.987	50	20	DDGD	
CN(C)c1nc(Cl)c(C=NNC(=O)Cc2cccnc2)s1	728786258	FLJOFCYAHBNTQV-UHFFFAOYSA-N	323.809	1.950	50	20	DDGD	
CCNC(=O)CC(=O)NNc1ccc(C(=O)OCC)c(C)c1	812717162	XQDJFOUSXWLBBA-UHFFFAOYSA-N	307.350	1.141	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)c1cccc(N(C)C)c1	812445241	OCXKKBALPXWPTQ-NWDGAFQWSA-N	307.394	1.432	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CCCc2occc21	825619533	QFPYNOIKWXWPGA-JBLDHEPKSA-N	307.350	1.412	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F	823936091	ZRNJUIPHDVTIJG-SECBINFHSA-N	313.329	1.355	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2C[C@@]23CCc2ccccc23)nc(N)n1	828370838	AQOAKVKULHDKTO-SUMWQHHRSA-N	309.373	1.714	50	20	DDGD	
CCCC[C@@H]1CCCC1=NNC(=O)[C@@H](C)NS(C)(=O)=O	728433353	DLCBZPJUBKGBCG-GHMZBOCLSA-N	303.428	1.387	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1c(Cl)cc(C#N)cc1Cl	823938980	DJPYDRQHXBNJNA-ZETCQYMHSA-N	302.161	1.822	50	20	DDGD	
CC1(C)C[C@@]1(C(=O)NNC(=O)N1CCOCC1)c1ccccc1	824620827	AUODJQNSYNLPOK-KRWDZBQOSA-N	317.389	1.427	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@H]1CCN(c2ccccc2Cl)C1	823922980	NWILGCLHMPTCOZ-RYUDHWBXSA-N	311.813	1.510	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H]1CCCC(F)(F)C1	826739163	IMNACMUIAGJMKH-LPEHRKFASA-N	305.325	1.320	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)OCC(F)(F)F)cc1C(F)F	825519037	IQCRNWFKAQDIEV-UHFFFAOYSA-N	316.186	1.291	50	20	DDGD	
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NN(C)[C@H](C)CO	823983633	YHRHSBQNFSVCAZ-MLGOLLRUSA-N	317.389	1.294	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)N[C@@H]1CCC[C@H](C2CC2)C1	824860684	XWJQANFRGJQRPE-GXTWGEPZSA-N	317.393	1.808	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC[C@@H](C)C2(CCC2)C1	827280744	DETHLPJIRPCSCS-FRRDWIJNSA-N	309.410	1.664	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CSC[C@H]1CCCCO1	727493237	KFKHFIBCXNPBQS-SNVBAGLBSA-N	319.496	1.583	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(O)cc(Br)c1	823897872	LSEWMXUZKUBPRC-UHFFFAOYSA-N	303.156	1.114	50	20	DDGD	
CCOc1c(Cl)cc(C(=O)NN(C)[C@H](C)CO)cc1OC	823987405	HSQYKVAEYKGNMC-SECBINFHSA-N	316.785	1.705	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1oc2ccccc2c1CN(C)C	823959969	TUHWOPJPTSTLNA-LLVKDONJSA-N	305.378	1.452	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNC(=O)CC1CCCC1	496313162	XAKDDSFYIUYGRF-GWCFXTLKSA-N	313.398	1.485	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1	823939154	GNLCOYIJIACCSN-WRWORJQWSA-N	307.177	1.371	50	20	DDGD	
CCN(CCO)NC(=O)CSc1nc2ccccc2n1CC	823834057	PYTHUMCOUSFXPY-UHFFFAOYSA-N	322.434	1.494	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1	494301150	ZUDGQOUTQHJCTC-UHFFFAOYSA-N	319.277	1.171	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21)c1ccc(Cl)cc1F	906888155	AKTAJCSBFDEIGU-KPXOXKRLSA-N	310.712	1.465	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(Cc1ccc(F)cc1)C1CC1	827276794	PUZOOHOMDMFXCP-UHFFFAOYSA-N	307.369	1.594	50	20	DDGD	
CC(C)c1cccc(O[C@H](C)C(=O)N2CC[C@@H](B(O)O)C2)c1	585068967	JUUUGYYZVRUBIY-TZMCWYRMSA-N	305.183	1.653	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCO1	824864517	BKAFMMLFCPNBPO-MWLCHTKSSA-N	302.338	1.125	50	20	DDGD	
COc1ccc(NNC(=O)[C@@](C)(C#N)CC(=O)O)c([N+](=O)[O-])c1	820845812	HQSKGMKRRCWEFG-CYBMUJFWSA-N	322.277	1.051	50	20	DDGD	
CS(=O)(=O)c1ccc(NNC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)cc1	827176713	ZWJDIJXHXHRSLN-COPLHBTASA-N	308.403	1.969	50	20	DDGD	
CCC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1cnn(C)c1	735512905	LEEJQOJNWTZXFI-YPMHNXCESA-N	307.398	1.723	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CCC[C@@H]1c1ccccc1	823151626	AAUPHVURUIDVBC-HUUCEWRRSA-N	312.373	1.684	50	20	DDGD	
CN(NS(=O)(=O)c1ccccc1C#N)C(=O)OC(C)(C)C	496680744	POEJAWSPSVUXKE-UHFFFAOYSA-N	311.363	1.618	50	20	DDGD	
Cc1ccc(CC[C@H](C)NC(=O)c2ccc(B(O)O)c(F)c2)o1	584951622	KFBABUMPMWIBQG-JTQLQIEISA-N	319.141	1.158	50	20	DDGD	
Cc1ccc(-c2nn[nH]n2)cc1NC(=O)NNc1cnccn1	826277943	MOVPKUYZDWRNBB-UHFFFAOYSA-N	311.309	1.114	50	20	DDGD	
O=C(CN1CCCC1=O)NNC(=O)c1ccsc1C(F)F	828345157	XIWCNKNYADVTAS-UHFFFAOYSA-N	317.317	1.069	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(CC)CC(=O)N1CCCCCC1	490936053	ACKUSRMGGLLKPW-YPKPFQOOSA-N	307.394	1.681	50	20	DDGD	
CCOCC(C)=NNC(=O)NCCNC(=O)OC(C)(C)C	491378852	QTFFRCAYCVWIOS-UHFFFAOYSA-N	302.375	1.223	50	20	DDGD	
O=C(/C=C/C1CCCC1)NNC(=O)COc1ccccc1O	493137412	FSJULAWRCWQFMX-MDZDMXLPSA-N	304.346	1.665	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(C(=O)N(C)C)CC1(C)C	490812751	MODZLAVNNQFHNW-BENRWUELSA-N	308.382	1.035	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)/C=C\c2cccnc2)cc1	492814751	VJKCSTVXQKZOJH-TWGQIWQCSA-N	324.340	1.189	50	20	DDGD	
CC(C)C[C@@]1(C)CCCN1C(=O)c1ccc(B(O)O)c(F)c1	584994797	FCGLDJUXGHFLKA-MRXNPFEDSA-N	307.174	1.546	50	20	DDGD	
O=C(NCB(O)O)c1ccc(Oc2ccc(F)c(F)c2)cc1	585059858	DIVBOEIWPHWAMV-UHFFFAOYSA-N	307.061	1.499	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CCCCN2C)cc1	731866958	LTSGAJYVGBXQBE-AWEZNQCLSA-N	304.394	1.039	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H]2C[C@H]2c2cccc(O)c2)n1	839516453	FTMJSWQYGWQVQR-NWDGAFQWSA-N	300.318	1.438	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	839726983	YXIZLVKJDPIVNZ-QWHCGFSZSA-N	309.329	1.604	50	20	DDGD	
CC(C)[C@H](CNCc1cccc(B(O)O)c1)Nc1ccccc1	585015379	YDHREHXIYTVUAN-SFHVURJKSA-N	312.222	1.593	50	20	DDGD	
CCCCOCC(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	735727030	ACWFBIGOJFPZEM-UHFFFAOYSA-N	322.361	1.116	50	20	DDGD	
Cc1cc(C)n(-c2ccc(C(=O)N3CC[C@H](B(O)O)C3)cc2)n1	585071672	ZAFQKFIRCUUUTN-AWEZNQCLSA-N	313.166	1.178	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1c(Cl)nc2ccccn12	737429533	XHBOWICFLXALIO-UHFFFAOYSA-N	314.736	1.932	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@]1(C)CCc2ccccc21	830271611	USDFFLLFULKFJI-GTNSWQLSSA-N	318.373	1.380	50	20	DDGD	
CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)NNc2ccccc2)C1	734279267	YPQHBALOKMYQSE-GXTWGEPZSA-N	304.394	1.960	50	20	DDGD	
CCCCCCN(C)CC(=O)NNC(=O)c1ccc(C)cc1O	732273491	AYUVPUAEHNHFFW-UHFFFAOYSA-N	321.421	1.974	50	20	DDGD	
CC(C)c1ccccc1OCCNCc1ccc(B(O)O)cc1	585030130	WSMWUUXYWMWXAJ-UHFFFAOYSA-N	313.206	1.658	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)n1	839689276	YECOSPLCKAQIMK-UONOGXRCSA-N	322.372	1.661	50	20	DDGD	
CC(=NNC(=O)c1cnn(C)c1)c1ccc(-n2cccn2)cc1	735411994	GJJOJESLIUECRC-UHFFFAOYSA-N	308.345	1.760	50	20	DDGD	
CCO[C@H]1C[C@H](NCc2ccccc2B(O)O)C12CCCC2	585026026	BMRYFHNKIQMIPL-HOTGVXAUSA-N	303.211	1.194	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H]2CCCN(C)C2=O)cc1	838504684	UVUTVHJLYKMCEV-ZDUSSCGKSA-N	306.366	1.332	50	20	DDGD	
CCCN(C)CC(=O)NNc1nc2ccccc2c(=O)n1CC	730096125	DKUIMXZXMLLWGM-UHFFFAOYSA-N	317.393	1.201	50	20	DDGD	
C[C@H](N)C[C@H](C)NC(=O)NNC(=O)c1cc2c(s1)CCC2	831197958	WUCMVQRGYYMJOQ-IUCAKERBSA-N	310.423	1.307	50	20	DDGD	
CSc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)nc1	831650840	YFJVYHWSFKAYDO-WCBMZHEXSA-N	310.379	1.381	50	20	DDGD	
O=C(NC[C@@H]1CCCCC1(F)F)NNC(=O)[C@@H]1CCCCO1	836523551	KQPOJOBQNMMQKG-QWRGUYRKSA-N	319.352	1.711	50	20	DDGD	
CCOc1ccccc1[C@H](CC)NCc1ccc(B(O)O)o1	585021165	QDWLOGVFXKRQNA-AWEZNQCLSA-N	303.167	1.599	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1ccc(Cl)o1	919655057	QLUNZGHKUKNMKV-UHFFFAOYSA-N	324.720	1.782	50	20	DDGD	
CCOCCNC(=S)NNC(=O)C(C)(C)c1ccccc1	731160819	FEOZUXOIFKKZPN-UHFFFAOYSA-N	309.435	1.496	50	20	DDGD	
O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NNc1cnccn1	734245522	LAAMOFUHNPWVRL-UHFFFAOYSA-N	312.289	1.483	50	20	DDGD	
O=C(Cc1cccc(C2CC2)c1)NNc1ncnc2[nH]cnc12	839686411	ODGDACWXOKUWEH-UHFFFAOYSA-N	308.345	1.916	50	20	DDGD	
CCN(CCNC(=O)NNC(=O)C(C)C)c1cccc(C)c1	915902972	PYMQUTSGBZTYJF-UHFFFAOYSA-N	306.410	1.808	50	20	DDGD	
COc1cc(NNC(=O)Nc2nc(C)n(C)n2)ccc1Cl	836642875	YTRMZORDDZDPMR-UHFFFAOYSA-N	310.745	1.934	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc3c(c2)COC3)n1	746625335	MLWHWXAZNZNGFM-UHFFFAOYSA-N	300.318	1.581	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCl)C1(N2CCOCC2)CCCC1	830828466	YGNDPGPHLOBYPI-LLVKDONJSA-N	310.847	1.136	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)CNc2ccccc2F)o1	915937224	LIXJASMNHRWCPX-UHFFFAOYSA-N	319.292	1.768	50	20	DDGD	
COc1ccc2c(c1)c(C(=O)NNC(=O)C1CC1)c(C)n2C	843751750	ALOIOOSBLDXJOV-UHFFFAOYSA-N	301.346	1.666	50	20	DDGD	
O=C(NN=C[C@@H]1CC=CCC1)C(=O)NN=C[C@H]1CC=CCC1	916266429	UQXIGTNZDICMJB-OKILXGFUSA-N	302.378	1.903	50	20	DDGD	
CN(C)CC[C@H](N)C(=O)NNc1ccccc1C(F)(F)F	846668255	IWLQRBZGKOOUMJ-JTQLQIEISA-N	304.316	1.428	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc2ccccc2c(O)n1	843973918	JJEOQEQJZITFPV-ONGXEEELSA-N	315.329	1.126	50	20	DDGD	
CN(C)C(=O)NN=C1C(=O)Nc2cccc(Br)c21	745602533	SJDLLVKUSNCLLX-UHFFFAOYSA-N	311.139	1.377	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccc(-n3cnnn3)c(C)c2)n1	914755435	WHTWCPKVMBYLCN-UHFFFAOYSA-N	324.348	1.134	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=C1CCN(C)[C@H](C)C1	741455945	NUGZAUBMJYJRSU-GFCCVEGCSA-N	313.405	1.931	50	20	DDGD	
CN(NC(=O)NCCCOC[C@H]1CCOC1)c1ccccc1	740920462	NHOFVPDMXDVGSS-CQSZACIVSA-N	307.394	1.780	50	20	DDGD	
CC[C@H](O)[C@H](C)C(=O)NNC(=S)Nc1cc(C)ccc1F	913821990	NZKPKWTVHULEHS-CABZTGNLSA-N	313.398	1.859	50	20	DDGD	
CCC(N)(CC)CNC(=O)NNC(=O)COc1cccc(C)c1	841951251	GMURVBCCTPKQMF-UHFFFAOYSA-N	322.409	1.222	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c[nH]1	746098599	VYEASTSOHWYWNV-UHFFFAOYSA-N	324.340	1.168	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H](C)c1cccc(Br)c1	910148816	YCTIPPRYARXSEL-VHSXEESVSA-N	315.211	1.896	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NCC1CCNCC1)c1ccccc1	841924343	YEYRWISUYCOVKE-OAHLLOKOSA-N	318.421	1.510	50	20	DDGD	
O=C(NN=Cc1ccccc1N1CCOCC1)c1ccncc1	912773288	GIGCASDNTYIBFV-UHFFFAOYSA-N	310.357	1.682	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1c(O)ccc2ccccc12	916358000	XEXSTWXILGKHEH-UHFFFAOYSA-N	311.341	1.618	50	20	DDGD	
C[C@@H]1COc2ccccc2N1CC(=O)NNC(=O)C(C)(C)C	744421917	UXPDTAGKHHBYFD-LLVKDONJSA-N	305.378	1.467	50	20	DDGD	
Cc1ccccc1-c1noc(C)c1C(=O)NN(C)C[C@@H](C)O	910149801	JAZXRNUMMSESSD-LLVKDONJSA-N	303.362	1.916	50	20	DDGD	
CCCCN(C)S(=O)(=O)c1ccc(NC(=O)NN)cc1	841016342	HXIVLRNPAYXBIG-UHFFFAOYSA-N	300.384	1.102	50	20	DDGD	
Cc1c(NNC(=O)N[C@H]2CCN[C@H](C)C2)cccc1[N+](=O)[O-]	841986266	MFMAQOAOZBYUFB-KOLCDFICSA-N	307.354	1.670	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1nc2ccccc2s1	843972298	AJYCEAQYVNPTOF-DTWKUNHWSA-N	305.359	1.482	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CO[C@@H]2CCCC[C@H]2C)n1	746622651	BIFVIMJSPKNHCN-ZYHUDNBSSA-N	308.382	1.832	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@H](O)c1cnn(C)c1	840545188	CDHVIOJQXPVLRA-SNVBAGLBSA-N	324.772	1.164	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2ccc(F)cc2F)n1	746964414	WFBQVMXIFUEZAZ-UHFFFAOYSA-N	309.276	1.590	50	20	DDGD	
COCCN(C)c1ccc(C=NNC(=O)[C@@H]2CCO[C@H]2C)cn1	842559392	JGWPJOCABUMREE-GXTWGEPZSA-N	320.393	1.039	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCc2cc(C)[nH]n2)cc1	845002883	PVBCJIWCHJLTPE-UHFFFAOYSA-N	317.349	1.260	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NC[C@H]2CCC=CO2)cc1	845136191	SOESQDOMYIBIIQ-CQSZACIVSA-N	319.361	1.721	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@@H]1CCc2nnn(C)c2C1	846641393	DBIVYRIPASNKJP-SECBINFHSA-N	319.340	1.211	50	20	DDGD	
O=S(=O)(CBr)N1C[C@@H](O)C[C@H]1c1ccccc1	841557515	LRSAUJMBRFPMNL-QWRGUYRKSA-N	320.208	1.477	50	20	DDGD	
CS[C@@H]1CC[C@@H](NC(=O)NNC(=O)c2ccc(C#N)cc2)C1	743568160	GDWHCPXZUKIEDO-CHWSQXEVSA-N	318.402	1.786	50	20	DDGD	
COc1cc(NNC(=O)[C@H]2CCCS2(=O)=O)ccc1Cl	847990678	INQOPHAALSZEHP-LLVKDONJSA-N	318.782	1.369	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cn1ccc2ccc(F)cc21	843777583	HOAWVZOHAUWKRX-UHFFFAOYSA-N	306.341	1.911	50	20	DDGD	
Cc1cc(NNC(=O)NCCN2CCNC2=O)ccc1Cl	924046804	MSHXTEHDCAPTBY-UHFFFAOYSA-N	311.773	1.300	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)NCC[S@](C)=O	840307723	IZRIDNNETINAAX-FQEVSTJZSA-N	319.818	1.258	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1ncccn1	841355185	ZEQQZWNTQRXJTG-IUCAKERBSA-N	316.283	1.606	50	20	DDGD	
C[C@H](CO)N(Cc1ccccc1)C(=O)/C(C#N)=C/c1cnn(C)c1	921481632	PIKDSJJSWWPOFE-CNGOAVBNSA-N	324.384	1.737	50	20	DDGD	
Cc1nnc2n1C[C@@H](C(=O)NNc1ccccc1Cl)CC2	750789860	XNIJNDDYCQRWDW-JTQLQIEISA-N	305.769	1.946	50	20	DDGD	
C[C@@H]1COC[C@H]1NC(=O)NNC(=O)c1cn(C)c2ccccc12	925992536	AGAJCBUQTCZXSZ-ZWNOBZJWSA-N	316.361	1.157	50	20	DDGD	
CCc1nn(C)cc1NC(=O)NNC(=O)c1ccc(Cl)nc1	757895738	KZXNGUOASUHALG-UHFFFAOYSA-N	322.756	1.497	50	20	DDGD	
COc1cccc(OC)c1CNC(=O)NNc1ccc(C)nn1	852489694	KRTLBAXPPPHTNA-UHFFFAOYSA-N	317.349	1.629	50	20	DDGD	
CC(=O)Nc1cccc(NC(=O)NNC(=O)c2cccnc2)c1	755495138	OGINDVSGAUDFGF-UHFFFAOYSA-N	313.317	1.507	50	20	DDGD	
Cc1nccc(CNC(=O)NC[C@]2(C)C[C@H]2Br)n1	856823308	JHMUYCQSJRFOMU-PWSUYJOCSA-N	313.199	1.758	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2CC(=O)N(C3CC3)C2)C[C@H]1Br	857399036	QBDGXIGEIMSERM-IYYTYJHQSA-N	315.211	1.287	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(-n2cnnn2)c(C)c1	755679433	NBRGVQMDZYORAP-SECBINFHSA-N	317.353	1.170	50	20	DDGD	
Cc1cc(C(=O)NN=C[C@@H]2CCCO[C@H]2c2cnn(C)c2)n[nH]1	853320533	DEGZDYOFTVSAPN-SMDDNHRTSA-N	316.365	1.335	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NC[C@@]2(C)C[C@H]2Br)CCN1	857104110	QJZWIURRRBGEEX-DNRKLUKYSA-N	304.232	1.600	50	20	DDGD	
C[C@@](NC(=O)NNC(=O)c1ccncc1)(C1CC1)C(F)(F)F	933580952	WRHXCSOYXNIESV-GFCCVEGCSA-N	316.283	1.757	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC(=O)c2ccccc21)OCC(F)(F)F	856020696	QALQUMQQKBQAIT-VIFPVBQESA-N	316.235	1.676	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1cnc(N(C)C)s1	755586669	LXZIFYZXNBQDTO-LBPRGKRZSA-N	323.466	1.781	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1)[C@@H]1CCC(=O)N1	858105637	KYXQVUGIRCWWEA-KWQFWETISA-N	309.753	1.016	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CC[C@]2(C)CCC(=O)N2)c1	753465581	OJIXCCZFLJHQOX-INIZCTEOSA-N	319.361	1.365	50	20	DDGD	
CCC[C@H](O)C(=O)NNC(=O)CSc1ccccc1OC	935142233	QPIAPBRIXNZBLO-JTQLQIEISA-N	312.391	1.096	50	20	DDGD	
CC[C@H]1CC(=NNC(=O)Cc2cn3ccccc3n2)CCO1	756829487	QUQCUGMZMAXMAX-AWEZNQCLSA-N	300.362	1.938	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2CCc3ccc(Cl)cc32)c1	863891918	GUPKXPDOTUUZSH-MRXNPFEDSA-N	301.582	1.797	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc2ncccc2o1	935196656	PWUZDUFADXRBOL-UHFFFAOYSA-N	310.404	1.300	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CCNC(=O)CC(C)C)c1	862476639	WZZUIHJNOLUUFR-UHFFFAOYSA-N	311.407	1.370	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@H]32)n1	860728619	URYYZYWFVHEWLR-OASPWFOLSA-N	315.764	1.741	50	20	DDGD	
COc1ccc(NCc2ccccc2B(O)O)c2ncccc12	864033102	ZCJFNOLPMAGFTJ-UHFFFAOYSA-N	308.146	1.535	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)n1	862519964	YNWLUIITZIAPRJ-LLVKDONJSA-N	306.366	1.843	50	20	DDGD	
COCC(=O)NN=Cc1cc(Br)cc2c1OCC2	764909353	UJVMFJAXVGXVIA-UHFFFAOYSA-N	313.151	1.481	50	20	DDGD	
COc1cc(Cl)c(NCc2ccccc2B(O)O)cc1C	864038489	SFYUDGNFBKTMDZ-UHFFFAOYSA-N	305.570	1.949	50	20	DDGD	
CCc1c(C(=O)NNc2ncnc3ccsc23)cnn1C	766669059	FYEIVRUEGWHGDA-UHFFFAOYSA-N	302.363	1.744	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cc(Cl)cc(F)c2O)n[nH]1	768355341	NLSXGSKYVPNUDE-UHFFFAOYSA-N	310.716	1.909	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccnc1)c1cnc(C)s1	761266204	FNEDWVXEUARNAM-UHFFFAOYSA-N	317.374	1.117	50	20	DDGD	
CCN1CCC[C@H]1Cn1c(C)cc(C=NNC(=O)COC)c1C	761819536	YNFLBGKNFCKYPX-INIZCTEOSA-N	320.437	1.686	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CCc2nc(C(C)C)no2)c1	862475811	YBAMAVNOBWHVDQ-UHFFFAOYSA-N	322.390	1.957	50	20	DDGD	
COc1c(C(=O)NNC(=O)c2cc(C)cs2)c(C)nn1C	862476206	MCDZUBDMDSYYRA-UHFFFAOYSA-N	308.363	1.182	50	20	DDGD	
CC(=O)N1CC[C@@](C)(C(=O)NNc2ncnc3ccsc23)C1	766678528	KJXAKWDOIILTEE-CQSZACIVSA-N	319.390	1.393	50	20	DDGD	
C=C(C)CN(CC)CC(=O)NNC(=O)c1ccc(C#N)cc1	764156005	GLXPRUKVINHQGA-UHFFFAOYSA-N	300.362	1.217	50	20	DDGD	
COc1cc(C(C)=NNC(=O)c2c[nH]nc2C)c(OC)cc1O	763171152	CWZHQFHCDIDBMS-UHFFFAOYSA-N	318.333	1.595	50	20	DDGD	
C=CCOc1cc(OC)ccc1C(=O)NN(C)C(=O)NCC	768409698	KCFPXEFEAWIOKB-UHFFFAOYSA-N	307.350	1.566	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C1(C#N)CC(C)C1	767888415	GACKJIWLSKNWBC-UHFFFAOYSA-N	301.346	1.325	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1ocnc1C1CC1	1117601478	ABERQRXDULAPTB-UHFFFAOYSA-N	311.305	1.285	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@H]2Cc3ccccc3O2)c1Cl	1116302355	UKQROHVYFGWIIZ-SNVBAGLBSA-N	305.725	1.159	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cnc(-c2cccnc2)s1	762100179	YOQUXRLVNBNDJK-UHFFFAOYSA-N	316.321	1.891	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)c3ccccc32)cc1	1116757559	CJENEFOOOVRSMO-OAHLLOKOSA-N	324.336	1.826	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2ccc3c(c2)OCCO3)n[nH]1	767396811	STCCMGBGUZDMJD-UHFFFAOYSA-N	300.318	1.182	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=Cc1ccccc1Cl	763191880	BYGADKFVWCELGK-UHFFFAOYSA-N	316.748	1.615	50	20	DDGD	
C[C@H]1C[C@H](CNC(=O)NNc2nncc(N)c2Cl)CCO1	1116452606	UGQVKZRRSPVGJE-JGVFFNPUSA-N	314.777	1.153	50	20	DDGD	
CC(=O)c1ccc(NC(=O)C(=O)NNc2cccnn2)cc1C	1116729949	RGJDVUYNRQTBMF-UHFFFAOYSA-N	313.317	1.069	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1cnccc1C	771549351	AXHHWTACFBAGJH-CYBMUJFWSA-N	304.394	1.199	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2cc([N+](=O)[O-])c[nH]2)c1	776301991	QGBCVFFQHUUZHT-UHFFFAOYSA-N	324.318	1.083	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)C1CC1)c1ccc(OC)cc1	774815992	KHYJWSIIVMEZFN-CQSZACIVSA-N	305.378	1.293	50	20	DDGD	
CC[C@@H](C)Oc1cc(C(=O)NNC(=S)NC(C)C)ccn1	1116495898	JTFMRVRONOEQFC-SNVBAGLBSA-N	310.423	1.776	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)c3ccc4cc[nH]c4c3)nc21	770967833	GXHJKRSHIXMKEB-UHFFFAOYSA-N	323.316	1.307	50	20	DDGD	
CC(=O)N1CC[C@@](C)(C(=O)NNc2nccnc2C(C)C)C1	772845704	WBFLETYXPYJPSV-OAHLLOKOSA-N	305.382	1.302	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](C)COc1ccc(F)cc1F	875145137	ITTBSVPKNWOBFR-MRVPVSSYSA-N	317.292	1.645	50	20	DDGD	
COC(=O)Cc1occc1C(=O)NNC(=O)c1ccccc1C	773710552	LRRFYRULDRDZGA-UHFFFAOYSA-N	316.313	1.378	50	20	DDGD	
CC[C@H](CO)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	779723011	BGOXLVRSLWZCSK-SSDOTTSWSA-N	305.161	1.773	50	20	DDGD	
CC(=NNC(=O)Cn1cnc2ccccc21)[C@@H]1CCCOC1	779760604	ZTLMQURFAOBMMK-CYBMUJFWSA-N	300.362	1.955	50	20	DDGD	
CCCNC(=O)NN=Cc1c(Cl)cccc1S(C)(=O)=O	773200842	LKSHTTGXNPJKQY-UHFFFAOYSA-N	317.798	1.787	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cn(-c2cccc(C)c2)nn1	887143171	OJNGWJFRIFFQBG-UHFFFAOYSA-N	311.345	1.140	50	20	DDGD	
CC[C@H](OC1CCCCC1)C(=O)NNC(=O)c1cccnn1	882058853	RIABEZODXGNSJA-ZDUSSCGKSA-N	306.366	1.366	50	20	DDGD	
O=C1C[C@@H](NS(=O)(=O)CCCCl)CN1c1ccccc1	881817455	PDUZAANDELSAPW-LLVKDONJSA-N	316.810	1.340	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@H](C)c1cccc(F)c1	772138391	WOJIFCVYNBQURP-QWRGUYRKSA-N	324.352	1.808	50	20	DDGD	
CCCNC(=O)NN=Cc1c[nH]ccc1=NC(=O)C(C)(C)C	783837931	REZYCCYMIXIFPL-UHFFFAOYSA-N	305.382	1.531	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@H]1COc2cc(F)cc(F)c21	784572033	VGKWQEHBIOXOKK-VIFPVBQESA-N	313.304	1.775	50	20	DDGD	
COc1ccc(NNC(=O)COc2cccc(C=O)c2)nc1	781527118	NLQDFEKJTJXIGS-UHFFFAOYSA-N	301.302	1.425	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(C)(C)Oc1ccc(F)cc1	887140366	BEZBKKAGTCSKNU-UHFFFAOYSA-N	306.337	1.934	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12	780709701	SNGMIURZPPUDAD-UHFFFAOYSA-N	317.305	1.449	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCN(C)[C@@H]1C	788268303	WULPPGIBCHSXBC-UHIISALHSA-N	323.368	1.081	50	20	DDGD	
CC(C)(C#N)CC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	783461910	RHBYESQEWZUEFG-UHFFFAOYSA-N	311.345	1.573	50	20	DDGD	
O=C(O)CCCCCNC(=O)N1C[C@H]2[C@H](Br)[C@H]2C1	898837014	YYLVAQPQFDCDMY-JZYVYDRUSA-N	319.199	1.666	50	20	DDGD	
C=CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	899975670	RVWVCVONCUCVOG-UHFFFAOYSA-N	303.362	1.683	50	20	DDGD	
Cc1cc(C(=O)NNc2ncncc2Cl)n2nc(C)cc2n1	781814549	OJSKJCUVOPQPAY-UHFFFAOYSA-N	317.740	1.546	50	20	DDGD	
CCn1nccc1NC(=O)C(=O)NNc1cc(F)cc(OC)c1	785236234	BHUHCBZZRKVDIO-UHFFFAOYSA-N	321.312	1.133	50	20	DDGD	
C#CCOc1ccccc1NC(=O)C(=O)NN(C)c1ccccc1	783432943	HUVWOWSSSQZKJZ-UHFFFAOYSA-N	323.352	1.805	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCCOC(C)C)cc1OC	783699805	MCAUGDZFLQYXDX-UHFFFAOYSA-N	324.377	1.670	50	20	DDGD	
CC[C@H](O)[C@H](C)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	899942671	ORZCWDXBMJQKCV-XOVPDBADSA-N	308.422	1.757	50	20	DDGD	
CO[C@H]1CCC[C@@H]1CNC(=O)NNC(=O)c1cccc(C)n1	793038626	ROQBJBGSSREOIM-YPMHNXCESA-N	306.366	1.149	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H](CC1CC1)NC(=O)OC(C)(C)C	895510014	FEQKPPLXYSZZFF-NSHDSACASA-N	313.398	1.483	50	20	DDGD	
C[C@]1(CNC(=O)c2cccn3nnnc23)C[C@@H]1Br	899042256	MROIGWYGVVKPGJ-GZMMTYOYSA-N	310.155	1.028	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)CCc2cccs2)n1	793227775	HHOJKNLWOBFUQC-UHFFFAOYSA-N	318.402	1.980	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)N2CCN(C)CC2)cc1	790180700	DROMNRGPBUCHES-UHFFFAOYSA-N	304.394	1.766	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=C1CC(=O)N2CCCC[C@@H]12	799473964	SEXONTXLASQFDZ-HIFRSBDPSA-N	320.437	1.365	50	20	DDGD	
Cn1c(Cl)cnc1C=NNC(=O)c1cc([N+](=O)[O-])ccc1O	799481044	HCEZTKLTQASBSG-UHFFFAOYSA-N	323.696	1.451	50	20	DDGD	
COC(=O)c1ccc(S(=O)(=O)NCCSSC)cn1	790350448	UUUSLKJYEWAYCO-UHFFFAOYSA-N	322.433	1.158	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1cccc(-n2cnnn2)c1C	792208512	NRSMHZAWNHXVFV-UHFFFAOYSA-N	324.348	1.823	50	20	DDGD	
O=C(NCCc1ccc(O)cc1)NNc1nc2ccccn2n1	790265997	CJMWVJPRFGMPQX-UHFFFAOYSA-N	312.333	1.304	50	20	DDGD	
CC(=NNC(=O)c1sc(N)nc1C)C(C)(C)n1cncn1	794488771	LZAXOJMSURXNIE-UHFFFAOYSA-N	307.383	1.166	50	20	DDGD	
COc1cc(C)cnc1C(=O)NNC(=O)c1cccc(C#N)c1	792592253	KRCFFWKDHOEQNK-UHFFFAOYSA-N	310.313	1.345	50	20	DDGD	
COc1cc(C(=O)NN=C(C)c2ncc[nH]2)cc(OC)c1OC	790143038	SUNNALXZQDVBEZ-UHFFFAOYSA-N	318.333	1.590	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1sccc1OC(F)F	798305412	OGPMGUYDGWURSK-UHFFFAOYSA-N	307.347	1.644	50	20	DDGD	
COCc1cc(C(=O)NNc2nc(-c3cccnc3)no2)no1	1318764799	LWRREZNBDGVNIH-UHFFFAOYSA-N	316.277	1.023	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)NOCC(C)C)c1	1324304836	LOXBPNGKWGVAHK-UHFFFAOYSA-N	311.338	1.235	50	20	DDGD	
CC[C@@]1(C)CN(C(=O)NNC(=O)c2cc(C)cs2)CCO1	1328814320	GFHYRVSKCGIAFJ-AWEZNQCLSA-N	311.407	1.912	50	20	DDGD	
Cc1ncccc1CC(=O)NNc1ccc2c(=O)[nH]ccc2c1	1327949337	OJAVRXLUNYASRW-UHFFFAOYSA-N	308.341	1.917	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cccn1C1CC1	1326636347	GIQFWPVRHNAQJO-ZDUSSCGKSA-N	304.394	1.241	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ncc(Cl)s1	1323103692	FTSTZLABUVTLTK-UHFFFAOYSA-N	321.786	1.347	50	20	DDGD	
CN(C)CC1(O)CCN(C[C@H](CBr)C2CC2)CC1	710581155	NDSNDCMASNNXRT-ZDUSSCGKSA-N	319.287	1.796	50	20	DDGD	
CCCN1CCCC[C@H]1C(=O)NNC(=O)NCC(F)(F)F	1321299125	OOIJLLSXIDJKSM-VIFPVBQESA-N	310.320	1.144	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C1CCOCC1)c1cncc(F)c1	1331940347	UJHSYJVYMCQVJZ-VIFPVBQESA-N	310.329	1.039	50	20	DDGD	
CN(CCC1CC1)C(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1331101566	MVQVSBQASUSMDV-MFKMUULPSA-N	317.227	1.535	50	20	DDGD	
O=C1CC[C@@H]2[C@H]1[C@H]2C(=O)NNc1nc2ccccc2[nH]c1=S	1336903754	DTYWVHPBZPOBQD-HFKOZYHYSA-N	314.370	1.961	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc(C(F)F)cc1	1337906061	DUGQCARLIPDIMM-UHFFFAOYSA-N	301.249	1.340	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1	1332594029	UYPDZCFNXCEYII-NEPJUHHUSA-N	322.390	1.602	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H]1CC(=O)N(C)c2ccccc21	1262345702	VHHDYQAPPZCLHU-CYBMUJFWSA-N	313.357	1.088	50	20	DDGD	
CC1(C)C[C@H](C(=O)NNC(=S)Nc2ccccn2)CCO1	1262638293	TWHGRWJCGNFYHR-SNVBAGLBSA-N	308.407	1.604	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](C)Cc1c(C)n[nH]c1C	1345077946	OSUONKNLVJTNTI-QMMMGPOBSA-N	304.354	1.147	50	20	DDGD	
O=C(NCc1cccc(C(F)(F)F)c1)NNC(=O)[C@@H]1C[C@@H]1F	1348713579	ZPWYBKBJRNMNQM-ZJUUUORDSA-N	319.258	1.894	50	20	DDGD	
C[C@@H]1CCN(c2nnnn2C[C@]2(C)C[C@@H]2Br)C1	1352688000	SAOAUVXTVGECRQ-YWVKMMECSA-N	300.204	1.693	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1)N[C@H]1C[C@H](C(=O)O)C1	1601555250	UDYAIZXHEGDSFE-CZMCAQCFSA-N	311.725	1.147	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1cc(-c2ccccc2)nn1C	1602987339	KVZWASGRRVBLHZ-UHFFFAOYSA-N	315.333	1.195	50	20	DDGD	
O=C(CN1CCCCCC1=O)NNc1ccc(C(=O)O)c(F)c1	1601313386	PPVIHRGYUYMKQV-UHFFFAOYSA-N	323.324	1.370	50	20	DDGD	
O=C(NCCc1nccs1)NNc1cccc(C(=O)O)c1F	1608455953	NMCZKVTVPNCEEC-UHFFFAOYSA-N	324.337	1.849	50	20	DDGD	
CC(C)NC(=O)NN=CCCc1ccc(-c2nn[nH]n2)cc1	1603337730	RSRKTAMFZANGMR-UHFFFAOYSA-N	301.354	1.493	50	20	DDGD	
CCCOc1cccnc1C(=O)NNc1ccc(C(=O)O)cn1	1605343606	ZSOTWWUVRGWMPP-UHFFFAOYSA-N	316.317	1.721	50	20	DDGD	
CCn1c(C)cc(C(=O)NNc2ccc(C(=O)O)cn2)c1C	1610081021	VWGKRMMPBNXHKA-UHFFFAOYSA-N	302.334	1.975	50	20	DDGD	
O=C(NN=Cc1ccc2cc[nH]c2c1)[C@@H]1CN2CCC[C@H]2CO1	1549684488	BWECQMCIMQEGMB-HOCLYGCPSA-N	312.373	1.481	50	20	DDGD	
Cn1ccc(C=NNC(=O)[C@H]2CCCO[C@@H]2c2nccn2C)c1	1549311986	VJZCPHOMMHZIIO-KBPBESRZSA-N	315.377	1.377	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@@H]2C=NNC(=O)c2ccc[nH]2)cn1	1552455208	YFJJALFHJYKZKN-BXUZGUMPSA-N	301.350	1.632	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccccc2CCN)cc1	1579194921	XMFVKXDHXLYOSZ-UHFFFAOYSA-N	313.357	1.271	50	20	DDGD	
CN(NC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21)C(=O)N1CCNCC1	1578506101	HJXZJKNPOVJTKD-RBSFLKMASA-N	322.453	1.581	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CCCCCN)c1ccc(F)cc1F	1575068746	FRJPFVBUURXYCC-JTQLQIEISA-N	313.348	1.735	50	20	DDGD	
N[C@H](CC(=O)NNC(=O)NCc1ccc(Cl)cc1)C(F)F	1580120917	BTPNFTDVBLJSJD-SECBINFHSA-N	320.727	1.153	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)c1cc([C@H]2CCNC2)[nH]n1	1580739765	NBYFQTXRMZYYQK-QMMMGPOBSA-N	306.757	1.292	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C2(CC(=O)O)CCC2)cc1	1593635466	RRLHWDTVZREPFE-UHFFFAOYSA-N	304.346	1.655	50	20	DDGD	
Cc1c(NNC(=O)N[C@H]2C[C@@H](C(=O)O)C2)cccc1[N+](=O)[O-]	1594268816	QJSNBRMYMWAXSO-DTORHVGOSA-N	308.294	1.393	50	20	DDGD	
COC[C@@](C)(NS(=O)(=O)c1ccc(CCl)cc1)C(=O)O	1599155149	LNKLAXRWYFXIEN-GFCCVEGCSA-N	321.782	1.193	50	20	DDGD	
COc1ccc(C=NNC(=O)C(=O)O)cc1OCCC(C)C	1599544613	VBGVKWKHHIYHNU-UHFFFAOYSA-N	308.334	1.655	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1c(F)cccc1[N+](=O)[O-]	1595261730	HQVQCQGFYWGHHG-UHFFFAOYSA-N	320.236	1.584	50	20	DDGD	
O=C(NNC(=O)[C@H](C(=O)O)C1CC1)c1ccc(Cl)cc1F	1594779000	HUKGVAMMKMGBHT-SNVBAGLBSA-N	314.700	1.351	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(C(=O)O)cn2)c(F)c1	1599483534	BFJAZORSZHOHLK-UHFFFAOYSA-N	305.265	1.684	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1C[C@@H](C(=O)O)c2ccccc21	1591765349	TYNZMZNXLHZPGL-NPUYYSGSSA-N	300.314	1.860	50	20	DDGD	
NC(=O)NN=Cc1ccc(OCc2ccc(C(=O)O)o2)cc1	1776032954	IRECVUVELZUGIO-UHFFFAOYSA-N	303.274	1.559	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@H]2CCN2C(C)(C)C)[nH]c1C(=O)O	1776098205	BUTNDZRJPOUHGV-LLVKDONJSA-N	306.366	1.344	50	20	DDGD	
O=C(NN=Cc1c(C(=O)O)ccc2c1OCO2)NC1CCCC1	1776040057	NBFNWIXVOKXYFY-UHFFFAOYSA-N	319.317	1.689	50	20	DDGD	
O=C(NN=Cc1ccc(O)c(O)c1)c1ccc2c(c1)OCCO2	12338826	WQSQWAUXXJTBBR-UHFFFAOYSA-N	314.297	1.633	50	20	DDGD	
C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)c1ccccn1	15342132	IOSAYKBAIFDTDE-JTQLQIEISA-N	319.748	1.964	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)CC1CCCC1	17581316	VMCRLHOMLMDGTG-UHFFFAOYSA-N	300.362	1.984	50	20	DDGD	
COc1cc(F)cc(NNC(=O)Cn2c(C)cc(O)cc2=O)c1	150762128	ZBNZDPSVKLQSLS-UHFFFAOYSA-N	321.308	1.153	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1ccccc1OCC(=O)O	7156342	AEDLIWLHPIMXAS-XYOKQWHBSA-N	305.286	1.247	50	20	DDGD	
Cc1ccn2c(=O)c(C(=O)NNc3ccccc3F)cnc2c1	153307467	FLAOTDJNZMKYJA-UHFFFAOYSA-N	312.304	1.899	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1)N[C@@H]1C[C@H]2CC[C@@H]1O2	155323615	KCIZUCHGSGHFTP-UTUOFQBUSA-N	309.753	1.604	50	20	DDGD	
C[C@@H](O)C[C@H](CNC(=O)NNc1ncccn1)c1ccccc1	155418222	MBDHFCGUVYAMJZ-TZMCWYRMSA-N	315.377	1.657	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)[C@H]2CCCc3sccc32)nn1	157827332	PYBUZLNCFINGIU-VIFPVBQESA-N	317.374	1.200	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)c2csc3c2CCCC3)nn1	154300204	QUECWBATSUJDPX-UHFFFAOYSA-N	317.374	1.273	50	20	DDGD	
COc1ccc(NNC(=O)c2n[nH]c3ccccc3c2=O)nc1	159610869	ZHHZBQSXHAHNKM-UHFFFAOYSA-N	311.301	1.084	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NNC(=O)c1cccn1C	159845917	FTTZWXWOPVPMSQ-QWRGUYRKSA-N	303.387	1.960	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](NC(C)=O)C2CCCC2)nc1	159130548	LKDAYEDDESJNFJ-CQSZACIVSA-N	306.366	1.228	50	20	DDGD	
O=S(=O)(CBr)NCc1ccc(F)c(F)c1	127392366	JLZXXQMYRFKDBN-UHFFFAOYSA-N	300.124	1.737	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@](C)(O)C1CCC1	862288381	LPJVECMWELYVBZ-MRXNPFEDSA-N	306.362	1.837	50	20	DDGD	
CCCOCC(=O)NNC(=O)c1cccc(OC(F)F)c1	103040918	VDIWQXQEALSBJD-UHFFFAOYSA-N	302.277	1.476	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc(-n2cnnc2)cc1	103197064	AZDBCOWCQNKJTN-UHFFFAOYSA-N	301.350	1.465	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCc1ccc(Cl)s1	171731675	BTTXZEJIWMZQPB-UHFFFAOYSA-N	324.793	1.870	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cccnc2NC(C)C)n1	174482550	RHMHGXYWVSSHFH-UHFFFAOYSA-N	316.365	1.766	50	20	DDGD	
O=C(NNC(=S)NCCc1ccccn1)c1ccccc1	101805213	UVEYIDNGXXJYFK-UHFFFAOYSA-N	300.387	1.433	50	20	DDGD	
CCC1(C(=O)NNC(=O)CNc2ccc(OC)cc2)CCC1	175874076	PPTKVRADTKPBKV-UHFFFAOYSA-N	305.378	1.835	50	20	DDGD	
O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)NC1CCCCC1	69904735	XGXHECICVUVVDS-AWEZNQCLSA-N	303.362	1.653	50	20	DDGD	
CCc1nnsc1C(=O)NNC(=O)c1cc2ccccc2o1	177753539	SXKLLHSCMKIMSQ-UHFFFAOYSA-N	316.342	1.922	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)C1(c2cccc(F)c2)CC1	173950600	XCTYDCQNBFEEPJ-UHFFFAOYSA-N	312.308	1.667	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])o2)cc1	119564671	UQDWMVMDKVREHI-UHFFFAOYSA-N	319.273	1.336	50	20	DDGD	
Cn1cc(CNC(=O)NNC(=O)c2cc3ccccc3o2)cn1	175968666	VMSNXZALEBOGCZ-UHFFFAOYSA-N	313.317	1.311	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)CCC2CCC2)cc1	175720036	QPHPAKJGAIIAKJ-UHFFFAOYSA-N	301.346	1.665	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNC(=O)c1cc2ccccc2o1	177737229	ZVJIJTTVLCYDJA-UHFFFAOYSA-N	312.329	1.858	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccc(Br)cn1	123353166	IYYDTXBIGFJLSX-UHFFFAOYSA-N	312.102	1.530	50	20	DDGD	
Cc1ccc(F)c(NC(=O)C(=O)NNC(=O)CC(C)(C)C)c1	126043312	CIJCBBQXKRCHNN-UHFFFAOYSA-N	309.341	1.656	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc3c(c2)OCCO3)nc(C)n1	128680952	IBIIFFSPYSATNQ-UHFFFAOYSA-N	300.318	1.622	50	20	DDGD	
CCCn1ccc2cc(NC(=O)NNC(=O)CCO)ccc21	123484003	RLSULVIHJASXSK-UHFFFAOYSA-N	304.350	1.586	50	20	DDGD	
CCc1[nH]c(C(=O)NNc2ccncc2)c(C)c1C(=O)OC	180520465	GAABGJXKVJUAIO-UHFFFAOYSA-N	302.334	1.824	50	20	DDGD	
CC(C)(C)n1ncc2c(=O)[nH]c(NNC(=O)C3=CCCC3)nc21	120178467	FAYDDPRZOKNELL-UHFFFAOYSA-N	316.365	1.428	50	20	DDGD	
COc1nccnc1NNC(=O)c1cccnc1C(F)(F)F	188434895	YQIYTZZBOSORPY-UHFFFAOYSA-N	313.239	1.656	50	20	DDGD	
COCCc1ccccc1NC(=O)NNC(=O)c1ccncc1	189580132	LFPLWNSRAFVMNW-UHFFFAOYSA-N	314.345	1.737	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cc([N+](=O)[O-])ccc1O	181773372	YFUUBSCRRSJWHC-UHFFFAOYSA-N	318.245	1.966	50	20	DDGD	
N#CCSCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	128573961	OIVKPDNPJDAQKZ-UHFFFAOYSA-N	315.358	1.094	50	20	DDGD	
COc1ccc2c(c1)C[C@@H](C(=O)NNc1ncc(F)cn1)CO2	122449650	CZXKOHPOUALALE-SNVBAGLBSA-N	318.308	1.319	50	20	DDGD	
O=S(=O)(CCCCCl)Oc1ccc(-n2cnnn2)cc1	188214098	UZMHQICZGPCYJH-UHFFFAOYSA-N	316.770	1.390	50	20	DDGD	
CO[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccccc1F	75099987	SMTKMYDCNZPXTE-CHWSQXEVSA-N	309.341	1.727	50	20	DDGD	
CCCCCOCC(=O)NNc1cccc(S(C)(=O)=O)c1	181121296	LVTXOIGSVILFLI-UHFFFAOYSA-N	314.407	1.740	50	20	DDGD	
O=C(NNc1ccccn1)[C@@H]1CN(Cc2ccccc2)CCO1	181212277	BZEGJBNTXKXOIB-HNNXBMFYSA-N	312.373	1.426	50	20	DDGD	
CC(C)CCn1ccc(NC(=O)NNC(=O)c2ccncc2)n1	183221032	LPEZRBSPQXAFEH-UHFFFAOYSA-N	316.365	1.791	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1ccc(-c2cc[nH]n2)cc1	181410746	AWKZKFTWFPWTBQ-UHFFFAOYSA-N	322.328	1.554	50	20	DDGD	
O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)C(F)F	194793946	KSDNTKFFIWNHAK-UHFFFAOYSA-N	300.233	1.391	50	20	DDGD	
CCCc1csc(NC(=O)C(=O)NNC(=O)C(C)(C)C)n1	193255508	LPEYCMUROYUAFH-UHFFFAOYSA-N	312.395	1.228	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)CCCOc1ccc(F)cc1F	190075291	GLQSRYZJLPLKPK-UHFFFAOYSA-N	316.304	1.042	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)COc1ccc2ccccc2c1	190051689	HJRNDPYFDYLSPW-UHFFFAOYSA-N	302.330	1.137	50	20	DDGD	
Cc1n[nH]c(=O)c(C(=O)NNC(=O)c2cccc(Cl)c2)c1C	192499982	ZXEXJPDFBPMOQH-UHFFFAOYSA-N	320.736	1.115	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)c1cccn1C)c1ccccc1F	192093683	PWQKCOGGDYCRNO-INIZCTEOSA-N	319.336	1.487	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)CN2CCCCCC2=O)c1	93295297	DRGBCQMVTDJEBF-UHFFFAOYSA-N	321.768	1.452	50	20	DDGD	
COc1ccc(NCC(=O)NN=Cc2ccc([N+](=O)[O-])o2)cc1	257354122	VWEYGUJPJJHPSQ-UHFFFAOYSA-N	318.289	1.759	50	20	DDGD	
CSc1nc(C(C)(C)C)nc(C)c1C(=O)NNC(=O)C1CC1	268453351	QOZLUFZBSMFGBX-UHFFFAOYSA-N	322.434	1.975	50	20	DDGD	
CC(=O)c1ccc(OCCCC(=O)NNC(=O)N(C)C)cc1	264217049	TUCJDWFYUMUYJL-UHFFFAOYSA-N	307.350	1.351	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H](C(=O)NNC(=O)c2cccn2C)C1(C)C	275539858	SEYGOCJPYHVTFR-QWRGUYRKSA-N	305.378	1.428	50	20	DDGD	
CCn1ncc(C(=O)NNC(=O)NC2CC2)c1-c1ccccc1	277117273	NMOGAQHHHLEZNG-UHFFFAOYSA-N	313.361	1.676	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)[C@@H]2C[C@H]2c2ccco2)c1	368597075	WSSMGSUQKUPDIH-CHWSQXEVSA-N	320.370	1.930	50	20	DDGD	
CCOc1ccc(C#N)cc1NC(=O)NNC(=O)C1CCC1	272836457	NUIUGNZGMUHBKK-UHFFFAOYSA-N	302.334	1.910	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N2CCN(C)CC2)ccc1Cl	278739550	VWUNTVNORJRLPJ-UHFFFAOYSA-N	310.785	1.250	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NNC(=O)c1ccc[nH]1	274290187	GKVGQUINRVFANI-MRVPVSSYSA-N	302.172	1.585	50	20	DDGD	
CC[C@@H](CO)NC(=O)NNC(=O)c1cccc2ccccc12	276002425	RZQZCDYJARKEOE-LBPRGKRZSA-N	301.346	1.555	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1nccnc1C1CCC1	286851666	BDYDGSFEIIQFED-LLVKDONJSA-N	308.382	1.629	50	20	DDGD	
COC(=O)[C@H]1CC[C@H](C(=O)NNc2nc3ccccn3n2)CC1	281135640	UENRSXFQFXTIGB-XYPYZODXSA-N	317.349	1.152	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1	286476160	UYFOCJJCIQAVLJ-AWEZNQCLSA-N	305.378	1.628	50	20	DDGD	
CCOC(=O)N1CC[C@@H](NC(=O)NNc2ncccc2F)C1	286736888	IFQCTYMQRAZGHN-SECBINFHSA-N	311.317	1.078	50	20	DDGD	
ICCN1CCC(Cn2cncn2)CC1	372994513	DRQDNPWUSIGCDV-UHFFFAOYSA-N	320.178	1.425	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CCNC(=O)C(C)(C)C	281277904	QAVQGKNMRDXFCR-UHFFFAOYSA-N	320.393	1.700	50	20	DDGD	
CC(C)[C@@](C)(NC(=O)/C(C#N)=C\c1ccc(O)cc1)C(N)=O	287859784	LZUUDQZZUFBHLV-IYCSXQJISA-N	301.346	1.315	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](C)Cc1ccc(OC)c(OC)c1	286291000	JGSWFGDYSVBROG-SNVBAGLBSA-N	310.350	1.612	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)CC(C)(C)O)cc2C1	280113307	XYHBJDKIHKVYEM-SECBINFHSA-N	310.419	1.795	50	20	DDGD	
COC(=O)N(C)NC(=O)COc1ccccc1C(F)(F)F	286515098	XFSRXBXIBSPELY-UHFFFAOYSA-N	306.240	1.814	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)C(C)(C)C)cc1OC	280481086	KMAWZWXPCJAWIR-UHFFFAOYSA-N	323.349	1.681	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H](C)OC[C@H]1CCCO1	288613806	IWCZFVVVQBBIJJ-DGCLKSJQSA-N	323.349	1.930	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2ccnc(OC)c2)cc1	806994486	ADAOBBGXSHGODY-UHFFFAOYSA-N	316.317	1.181	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccncn1)N(C)Cc1ccccc1	296782420	XMHQWYKUWMPOHY-ZDUSSCGKSA-N	314.393	1.623	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1ccc2c(c1)OCC(=O)N2	299521064	BBICCCBEFHPULE-UHFFFAOYSA-N	317.345	1.359	50	20	DDGD	
O=C(NNc1nnc[nH]1)[C@H](c1ccccc1)N1CCSCC1	293890251	KHZRJFGBCUFURA-LBPRGKRZSA-N	318.406	1.038	50	20	DDGD	
Cc1nnc(CCNC(=O)NNc2ccc(Cl)nn2)s1	291740460	CFJCZBULVNWZBB-UHFFFAOYSA-N	313.774	1.159	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@@H]2CCCN2C)c1C	299531619	NIJNCJJZKQKFLV-KBPBESRZSA-N	319.405	1.312	50	20	DDGD	
CC(C)Nc1ncccc1C(=O)NNC(=O)N=c1cc[nH]cc1	802026670	VAWYHKYSANUHHZ-UHFFFAOYSA-N	314.349	1.185	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)C2(Cc3ccccc3)CC2)O1	293945244	POIAEQYPECNJFC-JSGCOSHPSA-N	302.374	1.724	50	20	DDGD	
CCn1cc([C@@H](C)NC(=O)NNC(=O)c2ccccc2F)cn1	296875954	LZSBRILOJPZQFY-SNVBAGLBSA-N	319.340	1.747	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1ccc(OC(F)F)nc1	801952925	HAEYGUQJVGMWPD-UHFFFAOYSA-N	323.259	1.545	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCOc1ccc2c(c1)OCO2	298761177	UZURHKHXABTTLZ-UHFFFAOYSA-N	323.349	1.171	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)CNc1ccc(OC)cc1	295450859	QCKIGCQGTZOOKU-ZDUSSCGKSA-N	309.366	1.070	50	20	DDGD	
C#Cc1cncc(C(=O)NNC(=O)COc2ccccc2F)c1	806274543	VIWKTGXBUDWHGE-UHFFFAOYSA-N	313.288	1.042	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccc3c(c2)OCO3)no1	804029129	YEOHGBNIEXOCOU-UHFFFAOYSA-N	304.262	1.178	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2ccccc2OC)ccn1C	290694104	FPLONRLHGSJGIY-UHFFFAOYSA-N	301.346	1.671	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)co1	801601323	MMPMNFAXIPXIRX-UHFFFAOYSA-N	303.318	1.440	50	20	DDGD	
Cn1nc(C(=O)NN=C2CCC[C@H]3C[C@@H]23)c2ccccc2c1=O	800807282	QXLSZKHSJIFQDL-GXFFZTMASA-N	310.357	1.839	50	20	DDGD	
CC(=NNC(=O)CCN1CCCCCC1)c1cn(C)c(C)n1	800808196	HCSFANCJISVUOT-UHFFFAOYSA-N	305.426	1.835	50	20	DDGD	
CN(C)c1cccc(CCC(=O)NNc2ncncc2F)c1	293863685	CMTKBJBWPATDGZ-UHFFFAOYSA-N	303.341	1.758	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2cccc(F)c2)nc1Cl	807118448	JHFGXWMKINYEEF-UHFFFAOYSA-N	308.700	1.730	50	20	DDGD	
O=C(NNC(=O)c1cccnc1-n1cccn1)Nc1ccccc1	801987278	ZQXQRGOUXBIQHM-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Nc1ccc(N(C)C)cc1)n1cccn1	802120060	IXNMPKLFYHXKSW-NSHDSACASA-N	316.365	1.363	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1coc(C2CCOCC2)n1	804771518	BDJVCBYVSQVFJP-UHFFFAOYSA-N	306.297	1.860	50	20	DDGD	
CCOC1CC(=NNC(=O)c2csc(N3CCOCC3)n2)C1	814751253	JJXDYWFZDGCHCT-UHFFFAOYSA-N	324.406	1.264	50	20	DDGD	
Cc1ccc(Cl)cc1NC(=O)C(=O)NNc1ncncc1F	815764544	LIKIUCDAHKIFED-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
CCNCC(=O)NNc1c(F)cc(F)cc1Br	818490965	OUQHRDQBONNNFB-UHFFFAOYSA-N	308.126	1.780	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1c(F)cc(C)cc1F	819808870	WTJBMBUFEAZGNQ-JTQLQIEISA-N	300.305	1.775	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2cc(CN3CCCC3)on2)c1	812536875	QZHXIWCCULDCJB-UHFFFAOYSA-N	311.345	1.899	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2ncncc2F)c1Br	817078766	SWLLNPDSFOVJBL-UHFFFAOYSA-N	315.106	1.167	50	20	DDGD	
CC(C)n1ncc2cc(C(=O)NNc3ncncc3F)cnc21	817078814	WBMJVCKASCRBEK-UHFFFAOYSA-N	315.312	1.698	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1CCc2c(O)cccc21	812441735	XPDKZAJLHBTVSJ-LBPRGKRZSA-N	317.389	1.127	50	20	DDGD	
COc1cccc([C@H](C)CC(=O)NNC(=O)c2ccnnc2)c1	817693741	VTBXIQKXRIOOIF-LLVKDONJSA-N	314.345	1.440	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1cnc(-c2ccco2)s1	814954822	PKTVYUCTFWSSLZ-UHFFFAOYSA-N	301.331	1.819	50	20	DDGD	
CC(C)C(=O)NNC(=O)C[C@@H](c1ccccc1)c1ncc[nH]1	819818441	MKNRHJKYVTWCKT-ZDUSSCGKSA-N	300.362	1.735	50	20	DDGD	
CC(=NNC(=O)c1ccc(O)c(O)c1)c1cccc(CO)c1	814920653	HQELXADHJFMPLL-UHFFFAOYSA-N	300.314	1.744	50	20	DDGD	
CCc1c(C(=O)NN(CC)CCO)cnn1-c1ccccc1	823847316	VHBQICAEEONKOW-UHFFFAOYSA-N	302.378	1.394	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1ccc2c(c1)COC2	728070725	CESOQZLNBXBTQE-UHFFFAOYSA-N	323.312	1.919	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C2CC(=O)C2)cc1F	822649235	TZIGPMRQUYKQNH-UHFFFAOYSA-N	311.338	1.131	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C\c2cc(C(=O)O)cs2)n1	490693451	IXJWFYJKDMEASE-YWEYNIOJSA-N	302.315	1.725	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2CC[C@@H]3OCC[C@@H]3C2)cc(C#N)n1C	491050612	QABRMFWOTNGRMF-WSHXLGRLSA-N	324.384	1.750	50	20	DDGD	
COc1ccc(NNC(=O)c2sccc2-c2nn[nH]n2)cc1	821837733	GQJRQHIGNIDJSK-UHFFFAOYSA-N	316.346	1.694	50	20	DDGD	
Cc1cccnc1C(=O)NN=Cc1cccc(-c2nn[nH]n2)c1	826308039	GVEMMWQOEPSWSF-UHFFFAOYSA-N	307.317	1.334	50	20	DDGD	
CC(C)n1cnc(S(=O)(=O)NNC(=O)OC(C)(C)C)c1	495321934	KISQSCMXOXXFMS-UHFFFAOYSA-N	304.372	1.182	50	20	DDGD	
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NN(C)[C@@H](C)CO	823983631	YHRHSBQNFSVCAZ-BLLLJJGKSA-N	317.389	1.294	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1	823841966	NTFULPCZFRFACL-UHFFFAOYSA-N	308.769	1.689	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C[C@H]1CCC(=O)N1C)c1ccccc1	827185463	TXYXCHSZDNARDJ-KGLIPLIRSA-N	317.389	1.339	50	20	DDGD	
CN(C)[C@@H](CNS(=O)(=O)CCCCl)c1ccsc1	726867874	CFUAAKYSKZKSIX-NSHDSACASA-N	310.872	1.899	50	20	DDGD	
CC[C@H](CC(F)(F)F)C(=O)NNc1ncnc2[nH]cnc12	825954006	KAZXGCDCPYTHDX-ZCFIWIBFSA-N	302.260	1.775	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cn1	490945114	ZXOXQOMNBNGFSD-WJDWOHSUSA-N	321.384	1.676	50	20	DDGD	
CC(C)Cc1ncc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)s1	823475568	QDMJZPDERYAIEG-NXEZZACHSA-N	311.407	1.528	50	20	DDGD	
CCc1nc([C@H](C)NC(=O)[C@]2(C)C[C@H]2Br)n[nH]1	823484746	VWMUXDGTGLNVBE-MVKOHCKWSA-N	301.188	1.718	50	20	DDGD	
CC1(C)CC(=NNC(=O)c2ncon2)CN1Cc1ccccc1	901290241	UEMVIKBPJZGQPN-UHFFFAOYSA-N	313.361	1.840	50	20	DDGD	
CC(=O)N[C@H](C(=O)NN(C)C(=O)OC(C)(C)C)C1CCCC1	496549033	JDHVYGYEHABXLI-LBPRGKRZSA-N	313.398	1.579	50	20	DDGD	
O=C(NNC(=O)c1ncc2ccccc2c1O)NC1CCCC1	824342521	KJNZUPJATWUNDP-UHFFFAOYSA-N	314.345	1.827	50	20	DDGD	
Cc1c(Cl)cccc1NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1	826237145	PTMDAJHMHDCOGV-UHFFFAOYSA-N	317.740	1.914	50	20	DDGD	
OB(O)c1ccccc1CNc1cccc(CN2CCCCC2)c1	585011946	HSHJILZCIXCOFG-UHFFFAOYSA-N	324.233	1.964	50	20	DDGD	
O=C(NNC(=O)c1cc[nH]n1)Nc1nc(C2CCC2)cs1	823224701	WFGYFUJGOCZKHG-UHFFFAOYSA-N	306.351	1.600	50	20	DDGD	
CC(C)n1cccc1C(=O)NNC(=O)CNC(=O)OC(C)(C)C	494740799	AIWZEOLQNLJSLS-UHFFFAOYSA-N	324.381	1.355	50	20	DDGD	
C#CCN(C)CCCNC(=O)NNc1cccc([N+](=O)[O-])c1C	491395254	RJRAWXKSZNGKPU-UHFFFAOYSA-N	319.365	1.484	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NC[C@H]2CCCN2C)cc(C#N)n1C	490639674	YJCHPBNLSZXOEZ-XIEDVDOYSA-N	311.389	1.323	50	20	DDGD	
Cc1nnc(NNC(=O)C[C@H](C)c2cccc(F)c2)nc1O	734861844	APMNEMRBJBBWNS-QMMMGPOBSA-N	305.313	1.662	50	20	DDGD	
COC(=O)N(C)NC(=O)C1=CCN(C(=O)OC(C)(C)C)CC1	496702222	PPSGJDSPTAXJHA-UHFFFAOYSA-N	313.354	1.283	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(C)cc1	730577178	OOWDECLVHOWIIS-ZDUSSCGKSA-N	308.403	1.660	50	20	DDGD	
Cc1ccc([C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C2)c(C)c1	584986243	XGXJMBOMSGEFHN-MRXNPFEDSA-N	323.201	1.613	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1	496599639	JMEJSCCJCZKASW-UHFFFAOYSA-N	311.294	1.725	50	20	DDGD	
CCc1nnc(CNC(=O)[C@]2(C)C[C@H]2Br)s1	908300506	MQXGVLCFSDJVPZ-LHLIQPBNSA-N	304.213	1.890	50	20	DDGD	
C[C@@H]1[C@@H](NC(=O)c2cccc(B(O)O)c2)C[C@H]1c1ccccc1	584959713	KLBINAOVRJFQLJ-VUCTXSBTSA-N	309.174	1.288	50	20	DDGD	
CC(C)(C)C(=O)NCCC(=O)NNc1cccc(C(=O)O)c1	833421961	OMZGOACILWDZKY-UHFFFAOYSA-N	307.350	1.380	50	20	DDGD	
Cn1nc2c(c1C(=O)NNC(=O)c1ccc(Cl)nc1)CCC2	906238161	KSUHTBPMLYIQKH-UHFFFAOYSA-N	319.752	1.032	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccc(C(=O)O)c1)C(C)(C)CN(C)C	833520803	IFPVVWOLMIBGPB-LLVKDONJSA-N	322.409	1.987	50	20	DDGD	
CCO[C@@H]1CCC[C@H]1NCC(=O)NNC(=O)c1ccc(C)cc1	832570595	QWTPAHBKXCQARS-HUUCEWRRSA-N	319.405	1.303	50	20	DDGD	
C[C@@]1(c2ccccc2)CCCN(C(=O)c2ccc(B(O)O)cc2)C1	584945821	LJSZFFRSJKABRW-LJQANCHMSA-N	323.201	1.560	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cccc2ccn(C)c12	831715900	BWKOQXPUWOGDAV-ZYHUDNBSSA-N	316.361	1.756	50	20	DDGD	
C#CCCCNC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836331893	PMHJECPGGUGULD-UHFFFAOYSA-N	304.306	1.164	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)c1ccc(OC)c(OC)c1	739475351	ZYQIIVRFXQGONY-UHFFFAOYSA-N	319.317	1.329	50	20	DDGD	
Cc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1cccc(B(O)O)c1	584952280	UDWNWCPRMGANFH-AEFFLSMTSA-N	309.174	1.135	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc2c(c1)N[C@@H](C)CC(=O)N2	905126444	PJLDBGQFSGSJQZ-VIFPVBQESA-N	304.350	1.246	50	20	DDGD	
C[C@H](N)C[C@@H](C)NC(=O)NNC(=O)c1ccc2ccccc2n1	831196403	BHAMUTCUBTWAES-WDEREUQCSA-N	315.377	1.305	50	20	DDGD	
COC[C@]1(CC(C)C)CCCN1C(=O)c1cccc(B(O)O)c1	584980540	CHSACAGIQAPFTO-QGZVFWFLSA-N	319.210	1.034	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C(C)(C)Nc2ccccc2)cn1	906731040	NBYNOXDNMOWHMF-UHFFFAOYSA-N	301.350	1.072	50	20	DDGD	
Cc1cc(NNC(=O)CCNC(=O)O)ccc1Br	738238732	BFWIHYUOZKVRFE-UHFFFAOYSA-N	316.155	1.858	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1cnn2ccccc12	731983851	PCGOJPIGOJFWOL-UHFFFAOYSA-N	308.341	1.728	50	20	DDGD	
COC[C@]1(C)CCN(C(=O)NNC(=O)c2ccc(C#N)cc2)C1	836264903	KCCNHFMZBSXOGD-MRXNPFEDSA-N	316.361	1.271	50	20	DDGD	
C=CCCCCC(C)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	834943927	IRBIEVXORCSNGU-GFCCVEGCSA-N	301.412	1.595	50	20	DDGD	
COc1ccc([C@@H](NCc2ccc(B(O)O)cc2)C2CC2)cn1	585048521	AAFWFVRAPOOBNM-KRWDZBQOSA-N	312.178	1.011	50	20	DDGD	
CCOC(=O)C[C@@H](NS(=O)(=O)CCl)c1ccc(F)cc1	830200676	RJJDQYNFKMDJIS-LLVKDONJSA-N	323.773	1.936	50	20	DDGD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NNc2ccccc2)c1	732266151	ROFGBYKHMXJEAC-UHFFFAOYSA-N	321.358	1.521	50	20	DDGD	
CC(=O)Nc1cccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	831127088	AZVZWERPUYXYES-TVQRCGJNSA-N	320.349	1.223	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)N[C@@H](C)CS(C)(=O)=O	918607501	TYBPDPYXXVJDLV-VIFPVBQESA-N	319.814	1.708	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1	830172887	LJDXLWUWOQAFPI-JTQLQIEISA-N	308.338	1.049	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccc(N2CCCC2=O)cc1	914842763	MUSCZRZEZVEYTG-UHFFFAOYSA-N	315.373	1.765	50	20	DDGD	
O=C(NN=Cc1ccsc1)c1csc(N2CCOCC2)n1	916337820	CBNPOTZCKXERKB-UHFFFAOYSA-N	322.415	1.805	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2nc(-c3cccnc3)no2)s1	749388741	XZYYIJLVVMDGML-UHFFFAOYSA-N	312.314	1.822	50	20	DDGD	
CC(=NNC(=O)c1ccoc1)c1ccccc1OCC(=O)O	833385079	SHIGIABGIJUSNK-UHFFFAOYSA-N	302.286	1.897	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2ccc(C(=O)O)c(Cl)c2)CC1	833699067	FABNUEUYZXNAAQ-UHFFFAOYSA-N	311.725	1.008	50	20	DDGD	
CC1=C(C(=O)OCC(=O)NNC(=O)c2cccc(C)c2)CCC1	747162197	ORJKGRFRFPNNIU-UHFFFAOYSA-N	316.357	1.800	50	20	DDGD	
COCC[C@@H](C)NC(=O)NNc1ncc(Br)cn1	847305166	HELHUJIPFXAOIC-SSDOTTSWSA-N	318.175	1.290	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)[C@@H]1CCn2ccnc2C1	749238623	AWSXBNKTKCITPB-LLVKDONJSA-N	308.345	1.532	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H]1CCc2cncn2C1	844141680	LELVVFJYDMWBTC-NSHDSACASA-N	315.333	1.805	50	20	DDGD	
O=C(CNC(=O)C1CCCCC1)NNC(=O)CC1CCCC1	749951757	PSRFJNCRPPCCQW-UHFFFAOYSA-N	309.410	1.411	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2NCCOc3ccccc32)n1	911882894	KZHFVJHIYGRSJV-CQSZACIVSA-N	313.361	1.260	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=Cc2cccc(F)c2)c1	915052255	MIJGAYWMSVGAEJ-UHFFFAOYSA-N	320.345	1.993	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCSc2ccccc21	742068743	BBTXHICDWJXHOO-NSHDSACASA-N	316.386	1.759	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)/C=C/SCc1ccco1	843654853	SVTHOHMERUTKSH-AWEMGCFSSA-N	310.375	1.599	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cn1ccc2ccc(F)cc21	843657298	GRIAWMIZLOUMRR-MFKMUULPSA-N	319.336	1.353	50	20	DDGD	
O=C(NC[C@@H]1CCCCN1)NNc1cc(F)c(F)c(F)c1	841919640	DIOSFTYYLIJXEK-QMMMGPOBSA-N	302.300	1.872	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1C=O	843973541	YLYMKDMUJGBYEU-YPMHNXCESA-N	304.346	1.302	50	20	DDGD	
C/C(=C\C1CCC(C)CC1)C(=O)NNC(=O)CN1CCCC1=O	913733487	KQNHIHUIUZCKHG-JLHYYAGUSA-N	321.421	1.529	50	20	DDGD	
CN1CCNC[C@H]1C(=O)NNc1c(Cl)cccc1Cl	912237214	XCNJFVRKXPGRGC-JTQLQIEISA-N	303.193	1.340	50	20	DDGD	
CCN(CC)C(=O)CNC(=O)NNc1cc(F)c(F)c(F)c1	746755555	FSUKGQGRDXQDRI-UHFFFAOYSA-N	318.299	1.598	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(C(C)(C)C#N)cc1	843656318	PGDYPJQTWKDHHS-BXUZGUMPSA-N	315.373	1.674	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)[C@H]1CCCS(=O)(=O)C1	845857206	SXRFNAXQOFBZAD-ZETCQYMHSA-N	322.308	1.372	50	20	DDGD	
O=C(NC[C@@H]1COCCO1)NNc1c(F)cc(F)cc1F	914286196	WSQRLKFCBMBUTQ-MRVPVSSYSA-N	305.256	1.145	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(C(F)(F)F)[nH]1	843971056	OJPDJDWSTKPQAT-RQJHMYQMSA-N	305.256	1.220	50	20	DDGD	
CC(C)c1ccc(NNC(=O)NCCCN2CCNCC2)cc1	841920443	VIECZUZARSOLGD-UHFFFAOYSA-N	319.453	1.731	50	20	DDGD	
CCC[C@@](C)(CC)C(=O)NNc1ccccc1S(N)(=O)=O	842256522	HPYXZNYTHAWXRX-CQSZACIVSA-N	313.423	1.994	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1ccc(Cl)cc1	842587351	ZSGNNUXVJGLJPO-LDYMZIIASA-N	318.782	1.075	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)CCCC2=O	843660956	NAXRHXCMQZIMFY-MFKMUULPSA-N	316.357	1.392	50	20	DDGD	
O=C(NN=C1CCOc2c(F)cc(F)cc21)N1CCOCC1	745592162	QICFJOQQQGINBU-UHFFFAOYSA-N	311.288	1.493	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCOc2c(C)cc(C)cc21	748253362	MONYNHCOBUMBHB-ZDUSSCGKSA-N	320.389	1.958	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CCCCC2	845921719	VXRUNCZEYFJJLK-UHFFFAOYSA-N	319.361	1.671	50	20	DDGD	
N[C@@H]1CCC[C@H](NC(=O)NNC(=O)CCOc2ccccc2)C1	841982128	PNACQNGGCVPAPK-OLZOCXBDSA-N	320.393	1.056	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@@H]2CCO[C@H]2C)c(OC)c1OC	842554840	MMRPVHFFLVXKSY-CMPLNLGQSA-N	322.361	1.588	50	20	DDGD	
O=C(CCc1cccc([N+](=O)[O-])c1)NNC(=O)CC(F)(F)F	755639382	LBDXTWBZVDPLJF-UHFFFAOYSA-N	319.239	1.627	50	20	DDGD	
O=C(CN1CCCC1=O)OC[C@@H](CBr)C1CC1	859483837	MAAWPRFJTOEANW-SNVBAGLBSA-N	304.184	1.573	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1cc2ccc(C)cc2o1	754974764	YCFKCXJPIHGSPH-UHFFFAOYSA-N	303.318	1.937	50	20	DDGD	
COc1cccc2c1CCC(=NNC(=O)C(=O)N1CCCC1)C2	754941509	HUYDJLOTFYBFHD-UHFFFAOYSA-N	315.373	1.279	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NNC(=O)CC(F)(F)F	855000746	OIIJVJISEVQGDZ-ZCFIWIBFSA-N	319.121	1.896	50	20	DDGD	
COC1(C=NNC(=O)CCCNC(=O)C(C)(C)C)CCCC1	853408735	ZZSCBZVLFRMFDW-UHFFFAOYSA-N	311.426	1.990	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC2C[C@H](C)O[C@@H](C)C2)c1	858338254	UMEJRRMBVLPBJU-UWVGGRQHSA-N	311.407	1.957	50	20	DDGD	
CCOCc1nc(C)c(C(=O)NNc2nccnc2OC)s1	857540224	ZSYIFSSMPIJJFR-UHFFFAOYSA-N	323.378	1.544	50	20	DDGD	
COc1c(F)cc(F)cc1NC(=O)NNC(=O)c1cnccn1	757687516	QJMSVVSLCFGFSW-UHFFFAOYSA-N	323.259	1.230	50	20	DDGD	
CCc1nn(C)c(Cl)c1C(=O)NNc1ncc(Cl)cn1	857356999	CEJOMFOPCBZMPA-UHFFFAOYSA-N	315.164	1.836	50	20	DDGD	
C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)NNc1ccccn1	852706427	MXWOGUKEQVUNNW-NSHDSACASA-N	323.397	1.963	50	20	DDGD	
COCC(=NNC(=O)COc1ccccc1[N+](=O)[O-])C1CC1	754256721	FGTNSOHDOUEQFZ-UHFFFAOYSA-N	307.306	1.502	50	20	DDGD	
C=CCOc1ccc(C=NNC(=O)NCCCOC)cc1OC	920833210	IUWGUHWKJUHEJU-UHFFFAOYSA-N	321.377	1.930	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2cc3ccncc3s2)CC1	853337533	LOIIQFSGVRADKL-UHFFFAOYSA-N	303.391	1.587	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC(C(=O)O)CC2)C[C@H]1Br	857101511	ZKKMHYULZTZSOA-BXKDBHETSA-N	319.199	1.666	50	20	DDGD	
O=C(NNc1cccc(F)n1)NC1CCN([C@@H]2CCOC2)CC1	852639367	VGLJVZZUJZFVRJ-GFCCVEGCSA-N	323.372	1.100	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)Cc1ccc2c(c1)COC2	758658007	MHFVYPJNJNNBPR-UHFFFAOYSA-N	307.419	1.553	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNC(=S)N[C@@H](C)C1CC1	855098816	MRLZMIOFPSNRCX-VIFPVBQESA-N	315.439	1.260	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1	756491710	XXOBFUPNAMLSQQ-UHFFFAOYSA-N	306.366	1.696	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(OC2CCCC2)nc1	756313065	GWWDEUWXFTWEDY-UHFFFAOYSA-N	322.365	1.592	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccc2cc[nH]c2n1	855089268	JSOQNRQVRGFVIU-UHFFFAOYSA-N	303.391	1.472	50	20	DDGD	
COCCn1cc(C(=O)NNc2cc(F)ccc2C)ccc1=O	855366583	CUOMXUUUQKLJPM-UHFFFAOYSA-N	319.336	1.699	50	20	DDGD	
O=Cc1ccc(OCC(=O)NNC(=O)OCC(F)(F)F)cc1	856023702	STBXELBNNWBUJY-UHFFFAOYSA-N	320.223	1.198	50	20	DDGD	
C[C@@H](CNC(=O)NNc1c(F)cccc1F)S(C)(=O)=O	754672604	CVYOXSZAKWQBIO-ZETCQYMHSA-N	307.322	1.024	50	20	DDGD	
CC[S@](=O)CCNC(=O)NC[C@@]1(C)C[C@@H]1Br	856833921	AWAHJIWPUDDMCS-XDBGJTNISA-N	311.245	1.228	50	20	DDGD	
CO[C@@H]1C[C@H](NC(=O)NNC(=O)Cc2ccccc2F)C1(C)C	753424251	ANQPUTJNLZOUMF-QWHCGFSZSA-N	323.368	1.512	50	20	DDGD	
CCOc1cccc(CC(=O)NNc2ncc(F)cc2F)n1	857534157	YRMNKVIUVDQNFA-UHFFFAOYSA-N	308.288	1.839	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)C[C@H]1Br	856718098	KFHMYHVEUZGXPU-BSTOTGJRSA-N	316.195	1.943	50	20	DDGD	
COc1cccc(NNC(=O)c2ncoc2C(F)(F)F)n1	857482339	AQVQYVYQUNJDQM-UHFFFAOYSA-N	302.212	1.854	50	20	DDGD	
CCOCC(=O)NN=Cc1ccc(N2CCC(O)CC2)cc1	853304518	QANODGGDPRUWCS-UHFFFAOYSA-N	305.378	1.134	50	20	DDGD	
COCCCNC(=O)NN=Cc1cn(-c2ccccc2)nc1C	755667774	BOEVZANTEMRFNC-UHFFFAOYSA-N	315.377	1.850	50	20	DDGD	
O=C(NC[C@H]1COCCO1)NNc1cc(F)cc(Cl)c1	853464738	NOPLNATVLKKOOP-NSHDSACASA-N	303.721	1.521	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)Cn2ccc3ccccc32)C[C@@H]1C	752010936	WGTDXVCVTSLCPS-BETUJISGSA-N	314.389	1.970	50	20	DDGD	
CC(C)N(CC(=O)NNC(=O)CC1CC1)C(=O)OC(C)(C)C	854667504	LQXRVJCSZCADBM-UHFFFAOYSA-N	313.398	1.579	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1ncoc1-c1ccon1	857490118	BREHDAFAZLOTAC-UHFFFAOYSA-N	306.669	1.530	50	20	DDGD	
Cc1ccc(C=NNC(=O)Cc2nc3ccccc3n2C)cn1	764894144	GDQKQQWPXVQCGX-UHFFFAOYSA-N	307.357	1.970	50	20	DDGD	
Cc1cccnc1[C@@H]1CCCC(=NNC(=O)[C@H]2CCC(=O)N2)C1	863153077	MEJCAXRNASAIAF-TZMCWYRMSA-N	314.389	1.798	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)O)c(C)n1CC(F)(F)F	768260929	INUMJHQJJUHYJM-UHFFFAOYSA-N	321.299	1.199	50	20	DDGD	
Cc1cc(C)c(/C=C/C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1C	862450915	DHZORRCATQBRLS-YVZNUBBCSA-N	315.373	1.051	50	20	DDGD	
Cc1csc(CCC(=O)NNC(=O)c2cccc(C#N)c2)n1	766609532	SLXOTEKENSELDN-UHFFFAOYSA-N	314.370	1.717	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cccc3c2CCOC3)n1	933984696	CLSMQEGGFGEPTI-UHFFFAOYSA-N	314.345	1.623	50	20	DDGD	
CC[C@@H]1C[C@@H](C)CCC1=NNC(=O)[C@H](C)NS(C)(=O)=O	769573262	BMIMXCQSESYSHL-GARJFASQSA-N	303.428	1.243	50	20	DDGD	
COc1ccc2c(c1)OC[C@H]2CC(=O)NNc1cccnn1	760583274	YVMAIROUWSDMKP-SNVBAGLBSA-N	300.318	1.495	50	20	DDGD	
CC(Cc1ccc(F)cc1Cl)=NNC(=O)CS(C)(=O)=O	863183575	HFWFZQVJWHYLJA-UHFFFAOYSA-N	320.773	1.558	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N2CCOCC2)c2ncccc12	931114048	LBHIKMNJSZWJQW-UHFFFAOYSA-N	314.345	1.230	50	20	DDGD	
COc1ccc(C(=O)NNc2nccnc2OC)cc1OC	764484157	MNPZGNMDJJQOMD-UHFFFAOYSA-N	304.306	1.259	50	20	DDGD	
CCCNC(=O)NN=Cc1c(C)nn(CC(=O)OC(C)C)c1C	768364506	JSVJQRMGIJURJA-UHFFFAOYSA-N	323.397	1.495	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC[C@H](CCC(N)=O)C1	866716129	IMHXQCADSXJYJW-LLVKDONJSA-N	324.874	1.559	50	20	DDGD	
CN(NC(=O)c1cnc(CNC(=O)OC(C)(C)C)nc1)C1CC1	868962057	MGFSFZFUWVSANJ-UHFFFAOYSA-N	321.381	1.240	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cccc([N+](=O)[O-])c1Cl	860667908	LMOSTJIFEYOMOA-UHFFFAOYSA-N	300.702	1.554	50	20	DDGD	
CCOc1ccc(C(C)=O)cc1COc1ccc(B(O)O)cc1	864048387	UTUCKTLYQFJYJF-UHFFFAOYSA-N	314.146	1.547	50	20	DDGD	
COc1nccnc1NNC(=O)C[C@@H](C)C(=O)c1ccccc1	764482558	WZYUMDANMUQUDB-LLVKDONJSA-N	314.345	1.837	50	20	DDGD	
O=C(Cc1cc(Cl)ccc1Cl)N1CC[C@H](B(O)O)C1	864230728	DTPIQYVETSSSSJ-VIFPVBQESA-N	301.966	1.611	50	20	DDGD	
COc1cc(C=NNC(=O)c2cccn2C)c([N+](=O)[O-])cc1O	767232973	WQYPBTOCSVVRBV-UHFFFAOYSA-N	318.289	1.411	50	20	DDGD	
Cn1nc(CNC(=O)NNC(=O)c2ccc[nH]2)c2ccccc21	760174393	LKKATFJLEFQMKR-UHFFFAOYSA-N	312.333	1.046	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H]1CC(C)(C)OC1(C)C	1118126832	VWDHCMPUBXXEFT-AXFHLTTASA-N	313.398	1.088	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2nc3ccccc3[nH]2)C1	768513187	RMMJWOQWOYANPZ-GHMZBOCLSA-N	316.361	1.985	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1cc(Cl)ccc1OC	875112800	BDLQHQKZRJHKHM-UHFFFAOYSA-N	301.730	1.761	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C(C)c1cn(C)cn1	872329771	VGFMLWSTPQDILC-UHFFFAOYSA-N	316.361	1.738	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)CC[C@H](C)OC	873769653	WYDNALOSJGSOCA-JTQLQIEISA-N	311.407	1.828	50	20	DDGD	
NC(=O)CSc1ccccc1C(=O)NNc1ccccn1	777473507	KTIMRRKZQBANFW-UHFFFAOYSA-N	302.359	1.416	50	20	DDGD	
O=C(Cc1ccnc(O)c1Br)NNc1ccccn1	772532975	RAOAPUGKYYGRBA-UHFFFAOYSA-N	323.150	1.631	50	20	DDGD	
O=C(COC[C@H]1CCCO1)NNc1ccc2ccccc2n1	777463373	BXVSXHVDAYFDHI-CYBMUJFWSA-N	301.346	1.874	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2ccc(Br)c(F)c2)C1	771682979	WSMQXWKTNZYPTK-QMMMGPOBSA-N	316.174	1.983	50	20	DDGD	
CS[C@@H](C)CCC(=O)NNC(=O)Cn1cnc2ccccc21	773180293	NFXZBOFXGADKSA-NSHDSACASA-N	320.418	1.715	50	20	DDGD	
COC(=O)C[C@]1(NC[C@@H](C)CBr)CCCOC1	770703661	ZCGMTTHFAYWDSA-CMPLNLGQSA-N	308.216	1.719	50	20	DDGD	
Cc1cc(-n2cncn2)ccc1C(=O)NCCCSC#N	773570815	GQVVFXIDCCZOKZ-UHFFFAOYSA-N	301.375	1.910	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1cc2c(nc1O)CCC2	774769241	JUCVWICKJUHARC-UHFFFAOYSA-N	321.340	1.976	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)Cc1c[nH]c2ccccc12)C(C)C	770207191	DELNYXQLFJJZGV-OAHLLOKOSA-N	303.362	1.529	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)C(C)(C)CO)cc1OC	776321570	SSBFWOSZIQBPNM-UHFFFAOYSA-N	324.377	1.264	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cn2ccnc2C(C)C)cc1	779773427	WUYRMXAZMFEVGF-UHFFFAOYSA-N	300.362	1.776	50	20	DDGD	
CCc1c(C(=O)NN(C)C(N)=O)cnn1-c1ccc(C)cc1	770436624	MPBFZLSCSNSYOM-UHFFFAOYSA-N	301.350	1.398	50	20	DDGD	
COc1c([N+](=O)[O-])ccc(C=NNC(=O)C2CCCC2)c1O	773035663	VSMNWUMRLOPLFX-UHFFFAOYSA-N	307.306	1.949	50	20	DDGD	
Cc1ccc(C(=O)NNc2nc(O)c3cnn(C)c3n2)cc1C	770983175	MAAHHNUCVVAGJE-UHFFFAOYSA-N	312.333	1.443	50	20	DDGD	
O=C(NCCCCc1ccccc1)NNC(=O)C1CCOCC1	883087598	BUMFPZFWPNUDLW-UHFFFAOYSA-N	319.405	1.766	50	20	DDGD	
CO[C@H](C)c1nc(CNS(=O)(=O)CCCCl)cs1	881980014	WWISVMNFXNESAE-MRVPVSSYSA-N	312.844	1.899	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cn1nc(C(F)F)cc1C1CC1	887152938	BQIIKVGFVUSONF-UHFFFAOYSA-N	324.331	1.649	50	20	DDGD	
CC1(C)CN(S(=O)(=O)CCCCl)C[C@@H](C(F)(F)F)O1	882218372	XRWYLVWYFFKAFQ-QMMMGPOBSA-N	323.764	1.987	50	20	DDGD	
COc1ccc(NNC(=O)COc2cccc(C(C)=O)c2)nc1	781526596	BHNFCZXKDHHHHW-UHFFFAOYSA-N	315.329	1.815	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=S)NC1(C)CC1	789172020	DQZBYKSBAMLFIU-SECBINFHSA-N	311.382	1.641	50	20	DDGD	
COC(=O)[C@@H](NC(=O)CCCC[C@H]1CCSS1)[C@@H](C)O	899261272	FPXGUYVKKWOHBP-SCVCMEIPSA-N	321.464	1.739	50	20	DDGD	
C[C@@H](NS(=O)(=O)CBr)C(=O)Nc1ccccc1	782438073	RZZNBCLWQUYARU-MRVPVSSYSA-N	321.196	1.285	50	20	DDGD	
C#CCN1CCC[C@H](NC(=O)NNc2ccc(OCC)cc2)C1	890364804	IUXMOSXMKXHLOV-HNNXBMFYSA-N	316.405	1.809	50	20	DDGD	
Cc1c(NNC(=O)N[C@H](C)c2ncn(C)n2)cccc1[N+](=O)[O-]	780703363	JIAFPKFSRFYUGO-SECBINFHSA-N	319.325	1.419	50	20	DDGD	
C=C[C@@H](CC)CC(=O)NNC(=O)CNc1cccc(OC)c1	891958792	CSKJAPPZBBBHRA-LBPRGKRZSA-N	305.378	1.857	50	20	DDGD	
N#CC1=CCN(C(=O)CNC(=O)c2ccc(F)cc2F)CC1	780686296	OOQQDUWCSBGIJK-UHFFFAOYSA-N	305.284	1.377	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C(C)(C)C(F)F)cc1OC	791449189	PRPUMEQXXYJOLY-UHFFFAOYSA-N	316.304	1.756	50	20	DDGD	
Cc1cccnc1NNC(=O)Cn1c(=O)n(C)c2ccccc21	791215196	LLJOQBBIFXBAKL-UHFFFAOYSA-N	311.345	1.187	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@H](c1ccncc1)C1CC1	899016467	AYDTUKNGKQGSJP-NSHDSACASA-N	316.283	1.816	50	20	DDGD	
CN1CCC[C@H]2CN(S(=O)(=O)CBr)CC[C@H]21	228316117	ZBBWGQSODHPDHM-VHSXEESVSA-N	311.245	1.085	50	20	DDGD	
C[C@@H](C#N)Oc1ccc(C=NNC(=O)N2CCN(C)CC2)cc1	790180970	GFSRGLHTTWTIGJ-ZDUSSCGKSA-N	315.377	1.268	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccc2ccccc2n1)[C@H](C)O	790069869	FMHGVPZAWREBMY-CMPLNLGQSA-N	301.346	1.403	50	20	DDGD	
Cc1nc(CC(=O)NN=C2CC(=O)N3CCCC[C@H]23)cs1	799473092	XWKXSIHXGZBENT-GFCCVEGCSA-N	306.391	1.251	50	20	DDGD	
CSSCCNC(=O)Nc1ccc(-n2nccn2)nc1	794074485	HHZNWWSLHVDELC-UHFFFAOYSA-N	310.408	1.795	50	20	DDGD	
CC(=NNC(=O)c1cccc(C)n1)c1ccc2c(c1)NC(=O)CO2	794571834	LEIMGEJKWKZHLF-UHFFFAOYSA-N	324.340	1.875	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc2ccccc2n1CC#N	798306188	AGNNULNSSRAZER-UHFFFAOYSA-N	313.386	1.460	50	20	DDGD	
Cc1cccnc1NNC(=O)NCC1(N(C)C)CCOCC1	791026950	SSLJBSHBLXBUKF-UHFFFAOYSA-N	307.398	1.127	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccccc1N1CCCC1=O	1318075038	ABPWSCWPZHJETE-UHFFFAOYSA-N	315.373	1.765	50	20	DDGD	
O=C(Cc1ccccc1)NNC(=O)Cn1cnc2ccccc21	1318705266	XWROUQCRZNFRIW-UHFFFAOYSA-N	308.341	1.426	50	20	DDGD	
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)CCl)CC1	1319921501	HCGKCASUHBVFKU-UHFFFAOYSA-N	324.764	1.831	50	20	DDGD	
CNc1ccc([N+](=O)[O-])cc1C(=O)NNc1cccc(F)n1	1323287956	CQKQJOCMHVSHFH-UHFFFAOYSA-N	305.269	1.928	50	20	DDGD	
C=Cn1cc(C=NNC(=O)c2cncn2-c2ccccc2)cn1	1255999508	UGFSSKAWSUGLDM-UHFFFAOYSA-N	306.329	1.933	50	20	DDGD	
C#CCC[C@@H](O)CNS(=O)(=O)c1ccc(CCCl)cc1	717914433	YFRFZKDEQWOMMS-CYBMUJFWSA-N	315.822	1.521	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@H](c1ccccn1)C1CC1	1332419921	HMSDPJJZEODMSL-AWEZNQCLSA-N	318.377	1.290	50	20	DDGD	
C[C@@H]1CN(c2nnnn2C[C@]2(C)C[C@H]2Br)CCO1	1262471709	TWINUYZVSZLNBF-KKZNHRDASA-N	316.203	1.072	50	20	DDGD	
CCN(CC)CC[C@@H](C)NC(=O)NNC(=O)c1ccc(C)o1	1343493961	CBCCQOKGMTXELL-LLVKDONJSA-N	310.398	1.652	50	20	DDGD	
Cn1ccc(NNC(=O)C[C@@H]2CCCN2C(=O)OC(C)(C)C)n1	1348607205	FSCQRFIQIBTZEE-NSHDSACASA-N	323.397	1.653	50	20	DDGD	
CCc1ccc2c(c1)CN(C(=O)NNC(=O)c1cn[nH]c1)CC2	1343698776	FANSTKZTYXIRFI-UHFFFAOYSA-N	313.361	1.385	50	20	DDGD	
N#Cc1ccc(NNC(=O)CN2CCC(CO)CC2)cc1Cl	1353640348	BXLSURKRNQLUIW-UHFFFAOYSA-N	322.796	1.359	50	20	DDGD	
COc1cccc(C[C@@H](O)C(=O)NN[C@@H](C)C(F)(F)F)c1	1351617960	RWLPHSAXYRQZEJ-GZMMTYOYSA-N	306.284	1.170	50	20	DDGD	
NS(=O)(=O)[C@@H]1CCCN(C(=O)C2CCC(Cl)CC2)C1	1519776984	RHJSHKWWXVTLHE-VQXHTEKXSA-N	308.831	1.064	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(C(=O)O)s2)cc1O	1600341238	USXVAKUNVBWAOG-UHFFFAOYSA-N	320.326	1.535	50	20	DDGD	
O=C(O)c1ccc(COc2ccc(B(O)O)cc2)cc1Cl	1608890059	LVONNSVAWJJPPT-UHFFFAOYSA-N	306.510	1.297	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@]1(C(=O)O)CC=CCC1)C1CC1	1603242529	HRYBNFMBJKFAOS-OTYXRUKQSA-N	311.407	1.091	50	20	DDGD	
NC[C@H]1CC[C@H](NC(=O)NNc2ccc(C(=O)O)cc2F)C1	1601183659	FOLBHRCKWFGRSP-WPRPVWTQSA-N	310.329	1.277	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC[C@](O)(C2(C(=O)O)CCC2)C1	1605615547	HDTKKJZIDRUNMO-YBHKSSGVSA-N	322.361	1.039	50	20	DDGD	
O=C(Cn1cc(C(=O)O)c2ccccc21)NNc1ccccn1	1601378297	REQPXWMLIJIDOF-UHFFFAOYSA-N	310.313	1.878	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNC(=O)[C@@]2(C)CCCO2)c1	1611133249	QLWVPRVDKQPHJT-OAHLLOKOSA-N	306.318	1.023	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1ccc2oc(O)nc2c1	1610699594	CTKXVZLYQSXHCT-UHFFFAOYSA-N	313.269	1.989	50	20	DDGD	
CO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(Cl)Cl)C2	1802392055	WXHPSIDIJYDUIE-DOLQZWNJSA-N	323.220	1.463	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1ccc(F)c(O)c1	1550697846	WKZRKDGVSTYLHN-SWLSCSKDSA-N	321.352	1.235	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H](N)C(C)(C)C	1573589895	KLCHTQXUOQLQLQ-SKDRFNHKSA-N	311.357	1.114	50	20	DDGD	
O=C(NNc1cccc(F)n1)Nc1nccc([C@@H]2CCNC2)n1	1580739515	HUOGATPWDFREPJ-SECBINFHSA-N	317.328	1.236	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1C[C@H](C(=O)O)[C@H](c2ccccc2)C1	1596859514	DDHDFHBYVTWVJV-QNCSTDJMSA-N	314.341	1.757	50	20	DDGD	
COc1ccccc1NNC(=O)c1cccc(-c2nn[nH]n2)n1	1591651791	OECXIEUSLKIUPS-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
O=C(Cc1ccccn1)NN=Cc1cccc(F)c1C(=O)O	1776043340	IIDHPJJTRHJTAU-UHFFFAOYSA-N	301.277	1.612	50	20	DDGD	
CS(=O)(=O)/C(C#N)=C\c1ccc(-n2cnc(C(=O)O)c2)cc1	1777395540	QPLFNSWKDNCZAJ-SDQBBNPISA-N	317.326	1.480	50	20	DDGD	
O=C([C@H](F)Cl)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(F)CC1)C2	1796810711	YECLBDMBUVYPQG-JXUBOQSCSA-N	306.740	1.661	50	20	DDGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)c1cnccn1	11221371	RGRHDMAZEBZFPF-UHFFFAOYSA-N	322.777	1.683	50	20	DDGD	
COc1ccc(-c2nc(C(=O)NNC(=O)C3CC3)cs2)cc1	15663310	MZQYCUNCAMMCDE-UHFFFAOYSA-N	317.370	1.990	50	20	DDGD	
CCCn1nc(C)c(C(=O)NNC(=O)c2ccccc2)c1C	161182748	LEYXJVDFGLMEKH-UHFFFAOYSA-N	300.362	1.985	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1cccc([N+](=O)[O-])c1	161740998	UCCOABMXGPXLNK-UHFFFAOYSA-N	317.330	1.621	50	20	DDGD	
CC(C)O[C@@H]1CS(=O)(=O)C[C@H]1I	158032024	VIUQLPKZZPAVEL-RNFRBKRXSA-N	304.149	1.012	50	20	DDGD	
COC(=O)NNC(=O)c1cncc(-c2ccc(N(C)C)cc2)c1	158936248	XBLNPVJILMJGAK-UHFFFAOYSA-N	314.345	1.815	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2cccc(Br)c2)CCN1	152143219	JOHWBYBRZJKKSD-MRVPVSSYSA-N	312.167	1.418	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc(-c3cccs3)n[nH]2)O1	152315992	HXSPLEKXZULAPX-KWQFWETISA-N	320.374	1.467	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1noc2c1CCCCC2	153082361	DKUJKPHNYPGFNA-UHFFFAOYSA-N	303.322	1.050	50	20	DDGD	
C[C@H](C(=O)NNc1ccccc1Br)S(C)(=O)=O	153656472	DZPQERXUWQOHFY-SSDOTTSWSA-N	321.196	1.325	50	20	DDGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1ccc2nncn2c1	155841097	IJHPDNMIABWQAF-UHFFFAOYSA-N	322.250	1.900	50	20	DDGD	
C[C@H](CC(=O)NNc1ccc(C(N)=O)nn1)c1ccccc1F	154279944	XNOIRXPJCIDSRS-SECBINFHSA-N	317.324	1.352	50	20	DDGD	
CNS(=O)(=O)c1ccc(C(=O)NNc2cc(C)ccc2C)o1	159123651	RHCLNSPBBNVXBV-UHFFFAOYSA-N	323.374	1.561	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	7475370	OLICJEYLZVUNGS-UHFFFAOYSA-N	313.313	1.907	50	20	DDGD	
C=C(C)CNC(=S)NNC(=O)COc1ccccc1C#N	7643016	NWKFIUDDCBJUMA-UHFFFAOYSA-N	304.375	1.008	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CC[C@@](C)(O)C2)cc1	176060223	FBZWBIATFUUALW-IDKBZEPQSA-N	300.358	1.976	50	20	DDGD	
Cc1ccc(NNC(=O)Nc2cccc(CN(C)C)c2)nn1	171549139	LAWJJXZHMWXGEI-UHFFFAOYSA-N	300.366	1.995	50	20	DDGD	
C#CCOc1ccc(C(=O)NNc2nc(C)cc(OC)n2)cc1	174474609	VJTPFTHTVCSJKO-UHFFFAOYSA-N	312.329	1.563	50	20	DDGD	
O=C(C[C@H](O)c1ccc(Cl)cc1)NNC(=O)c1ccncc1	179601166	GMXBIENJTOOPHS-ZDUSSCGKSA-N	319.748	1.620	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NNC(=O)CC(C)(C)C)cc1	103060357	SLWUBNDXEJUOKO-UHFFFAOYSA-N	314.407	1.831	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCc2ccc3c(c2)CCC3)cn1	117959097	ZGIWAWAJIIDISX-UHFFFAOYSA-N	313.361	1.053	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CC=CCC2)c1	27147205	LJAZOWYNTCDNRW-NSHDSACASA-N	322.386	1.207	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc(Cn2cncn2)cc1	10892833	LSBHHBPXXUAUQR-UHFFFAOYSA-N	301.350	1.134	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCOCCOC)c1ccccc1	110341208	ZQWISPQWZPSQQP-AWEZNQCLSA-N	308.378	1.381	50	20	DDGD	
COc1cc(C)nc(NNC(=O)CN(C)Cc2ccccc2)n1	174498984	XUCOEQVRHPFFBW-UHFFFAOYSA-N	315.377	1.369	50	20	DDGD	
O=C(CCCOCCc1ccccc1)NNC(=O)NC1CC1	64427524	YRALMMNBGSBHMR-UHFFFAOYSA-N	305.378	1.519	50	20	DDGD	
O=C(CCC1CCC1)NNC(=O)c1ccc(-n2cnnn2)cc1	175739120	PDLMCQPQIODSGX-UHFFFAOYSA-N	314.349	1.004	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C[C@@H](C)C2CC2)cc1OC	67998047	AFSRVIABJFKYRY-SNVBAGLBSA-N	306.362	1.901	50	20	DDGD	
CCC[C@H](C(=O)NNC(=O)NCCCOC)c1ccccc1	68461532	XTMFNYQGABWFDA-AWEZNQCLSA-N	307.394	1.937	50	20	DDGD	
Nc1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cc(Cl)n1	177990220	FHCPWZTYPJIBCI-UHFFFAOYSA-N	307.697	1.982	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2Cc3cc(F)ccc3O2)n1	180684447	AZYYOYHXNZLXMI-LBPRGKRZSA-N	303.293	1.676	50	20	DDGD	
CCCc1cc(NC(=O)NNc2nccc(OC)n2)n(C)n1	121097253	ZBXPUPGDHMJSJE-UHFFFAOYSA-N	305.342	1.320	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)c2ccc[nH]2)cccc1[N+](=O)[O-]	182843617	RXLOTGRWYVNWGL-UHFFFAOYSA-N	303.278	1.698	50	20	DDGD	
O=C(COc1ccc([N+](=O)[O-])cc1)NNc1ncc(F)cn1	123333565	IXWOZJWBJIMAJL-UHFFFAOYSA-N	307.241	1.046	50	20	DDGD	
CSC1(C(=O)NNC(=O)c2ccc3ccccc3n2)CC1	189989795	NEBPRWDOOQNTAT-UHFFFAOYSA-N	301.371	1.891	50	20	DDGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCC(C(N)=O)CC1	78282255	CGRXJLIHBAKQDF-LNKIKWGQSA-N	300.318	1.657	50	20	DDGD	
CC(C)[C@@]1(C)C[C@H]1C(=O)NNC(=O)COc1ccc(C#N)cc1	185206681	CNXWTSIHKIOTNY-WMLDXEAASA-N	315.373	1.767	50	20	DDGD	
O=C(CCSc1ccccn1)NNC(=S)NCC1CCC1	123687969	FDTTWJXDWBPHTR-UHFFFAOYSA-N	324.475	1.859	50	20	DDGD	
O=S(=O)(CBr)NCCCOC1CCCCC1	126661364	VSAGFOPCJHNWKE-UHFFFAOYSA-N	314.245	1.998	50	20	DDGD	
COc1ccccc1C(=O)NNS(=O)(=O)c1cc(C)oc1C	182799136	JTZFUFHFZZFOPM-UHFFFAOYSA-N	324.358	1.528	50	20	DDGD	
C[C@@H]1CCCN(CCNC(=O)NNc2ccc(Cl)nn2)C1	127095371	YLXOTTOCEKHPCG-SNVBAGLBSA-N	312.805	1.488	50	20	DDGD	
CCc1cnc(NC(=O)NNC(=O)c2ccccc2O)s1	186237999	QJTYKNPZJNYOPX-UHFFFAOYSA-N	306.347	1.878	50	20	DDGD	
O=C(CN1C(=O)NC2(CCCCC2)C1=O)NNc1ccccc1	70716552	CDWKFYGNUBLCBE-UHFFFAOYSA-N	316.361	1.384	50	20	DDGD	
CC(C)C[C@@H]1CCN(CC(=O)NNC(=O)c2ccccc2)C1	72492647	PTPBRYNIUNKRAB-AWEZNQCLSA-N	303.406	1.816	50	20	DDGD	
CCC(CC)N1C[C@@H](C(=O)NNc2ccc(OC)cn2)CC1=O	187482191	DTKUJQIOWABMPK-NSHDSACASA-N	320.393	1.570	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)c1cccnc1S	73302735	GMSYOGZMNVNWOJ-UHFFFAOYSA-N	302.359	1.243	50	20	DDGD	
CC(C)CCNC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	42905826	JTLPYJYVUNPENK-NSHDSACASA-N	311.357	1.970	50	20	DDGD	
CNC(=O)c1ccc(/C=C(/C#N)C(=O)Nc2ccn(C)n2)cc1	134495896	MKFWBLGDUJWTLS-LCYFTJDESA-N	309.329	1.325	50	20	DDGD	
N#Cc1ccc(C(=O)NNc2nc3ccccc3c(=O)[nH]2)cc1	137180099	QHXLNYBVBWKHOJ-UHFFFAOYSA-N	305.297	1.552	50	20	DDGD	
O=C(COCC1CC1)NNC(=O)NCc1ccc(Cl)cc1	191582125	DCRPPSQAFSHKIZ-UHFFFAOYSA-N	311.769	1.597	50	20	DDGD	
CC(C)CCNC(=O)NNC(=O)COc1ccc(C#N)cc1	42907086	JXTUYIATDVAERE-UHFFFAOYSA-N	304.350	1.314	50	20	DDGD	
C[C@@H]1CCC[C@H](NC(=O)NNc2ccc(-n3cccn3)nn2)C1	47035167	MYKHLYBIPSJEGN-NEPJUHHUSA-N	315.381	1.867	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@](C)(OC)c2ccccc2F)n1	191923885	JXTVVBKEQZNYJQ-HNNXBMFYSA-N	320.324	1.629	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1ccc2[nH]c(=O)[nH]c2c1	194772996	LEPPBVXCAHHFKX-UHFFFAOYSA-N	324.340	1.250	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2[nH]nc3c2CCCC3)c1	93543473	QITHHSVIGTXOLK-UHFFFAOYSA-N	316.752	1.965	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccnc(OC3CCC3)c2)o1	90061534	ZJDLBYLHAKEYBZ-UHFFFAOYSA-N	315.329	1.989	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ncccc1C(F)(F)F	92246636	SWZFWHWMORVBPF-UHFFFAOYSA-N	312.251	1.514	50	20	DDGD	
CC(=NNC(=O)OC(C)(C)C)c1cccc(-n2cnnn2)c1	245284476	SDFZMACHKHECID-UHFFFAOYSA-N	302.338	1.911	50	20	DDGD	
O=C(NN=Cc1ccc(O)cc1O)c1ccc2c(c1)OCCO2	254825268	VGORODBIIYMIHX-UHFFFAOYSA-N	314.297	1.633	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)CC(C)C)ccc1[N+](=O)[O-]	265287474	PPNBLHZQWXXSGD-UHFFFAOYSA-N	315.351	1.259	50	20	DDGD	
O=C(Cc1cc(F)c(F)cc1F)NNC(=O)NC1CCCC1	269062515	XARBHMBZBWLYCA-UHFFFAOYSA-N	315.295	1.919	50	20	DDGD	
COc1ccc2c(c1)C=C(C(=O)NNC(=O)NC(C)C)CO2	267977115	SXUIDETXRSRJKG-UHFFFAOYSA-N	305.334	1.210	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(F)c2ncccc12)C1CCC1	264787333	RVOBAZHWICJUIS-UHFFFAOYSA-N	323.349	1.484	50	20	DDGD	
C=C(CBr)CN1CC[C@@H](CN2CCOCC2)C1	369105631	ZXGWTGPPMZXUQW-ZDUSSCGKSA-N	303.244	1.592	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1cccc(OCC(F)F)n1	274248867	UGNAIWPITJCMNB-UHFFFAOYSA-N	300.265	1.288	50	20	DDGD	
C=C(C)[C@H](CC(=O)NNC(=O)Cc1ccc(F)cc1)OCC	270156310	XKLHFMSBTUHHJJ-AWEZNQCLSA-N	308.353	1.887	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CCSCC[C@@H]1C	276743122	YQUIQGLDOMZIJO-NSHDSACASA-N	323.418	1.877	50	20	DDGD	
C[C@@H](NC(=O)NNc1cc(F)c(F)c(F)c1)c1ncnn1C	276954396	RTDUFBUPHLUICT-ZCFIWIBFSA-N	314.271	1.620	50	20	DDGD	
ICCN1CCOC[C@@H]1[C@H]1CCCO1	367585828	NOMHGZRIBNSEIE-NXEZZACHSA-N	311.163	1.301	50	20	DDGD	
CN(C)CCc1ccccc1NC(=O)NNC(=O)C1CCC1	275696140	RZVRXNWHRHILIH-UHFFFAOYSA-N	304.394	1.744	50	20	DDGD	
CCOc1ccccc1C(=O)NCC(=O)N1CC=C(C#N)CC1	271129522	PTDWFKSURRWPBL-UHFFFAOYSA-N	313.357	1.497	50	20	DDGD	
CC(C)[C@H]1C[C@H](NC(=O)NNc2nc3ccccn3n2)CCO1	277009388	ZLHNWEFOVVUCQH-VXGBXAGGSA-N	318.381	1.559	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCC2(C(=O)OC)CC2)cc1	274943250	BICGAJNGWAIPJN-UHFFFAOYSA-N	319.361	1.146	50	20	DDGD	
O=C(Cc1cccc(N2CCCC2=O)c1)NNc1cnccn1	280214763	KWURCIJFXFLRBZ-UHFFFAOYSA-N	311.345	1.289	50	20	DDGD	
Cn1cncc1CCC(=O)NNc1nc(C(F)(F)F)cs1	283522492	WRXHQSMUXIXSBX-UHFFFAOYSA-N	319.312	1.971	50	20	DDGD	
O=S(=O)(CBr)N1CCC=C(c2ccncc2)C1	285319498	ITOSFAMIHWPLPI-UHFFFAOYSA-N	317.208	1.853	50	20	DDGD	
C[C@](O)(C(=O)NNc1nnc(-c2ccccn2)s1)C1CC1	287049776	WXFKHRKFHFYECU-CYBMUJFWSA-N	305.363	1.204	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CCCN2C2CC2)c1	280369861	VZTOVGKHEHMDBX-AWEZNQCLSA-N	303.362	1.543	50	20	DDGD	
Cc1ccn2c(=O)c(C(=O)NCC(Cl)Cl)cnc2c1	289210934	YIURMXUQJWHVHB-UHFFFAOYSA-N	300.145	1.536	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@@](C)(O)C3CC3)cc2C1	288515473	XGMANPNGQDPSMX-ABKXIKBNSA-N	322.430	1.795	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1c(C)c(C(F)(F)F)nn1C	287772801	YGVUIUNVLUFWID-ZCFIWIBFSA-N	321.303	1.946	50	20	DDGD	
COC1(C(=O)NNc2cccc3cnccc23)CCOCC1	285261669	MCJLZTQVMVNEHR-UHFFFAOYSA-N	301.346	1.874	50	20	DDGD	
CC(C)C1(CNC(=O)NNc2ccc(-n3ccnc3)nn2)CC1	286527582	BRQLMXLGJAVADC-UHFFFAOYSA-N	315.381	1.725	50	20	DDGD	
COc1ccnc(NNC(=O)CCCc2nc(C)cs2)n1	283017237	PZDOZCCDFBGWCU-UHFFFAOYSA-N	307.379	1.716	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CN(C)C)nn1C1CCCCC1	289940609	VPZRGPSCZJARBZ-UHFFFAOYSA-N	322.413	1.411	50	20	DDGD	
CC(C)[C@H]1NCC[C@H]1C(=O)NNc1ncnc2ccsc12	289619602	OSXUJYRSJRXTDS-MWLCHTKSSA-N	305.407	1.769	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C	280120776	OGTYNPILVJQQSP-VIFPVBQESA-N	318.299	1.536	50	20	DDGD	
C[C@H](C(=O)NNC(=O)NC1CCCC1)c1ccc2c(c1)OCO2	292279349	XRYSMJAMJAMJKP-JTQLQIEISA-N	319.361	1.792	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2ccc([N+](=O)[O-])cc2)O1	296517208	HGKAGNKCLMZOSX-KWQFWETISA-N	308.294	1.315	50	20	DDGD	
O=C(CCc1ncc[nH]1)NNc1nnc(-c2ccccn2)s1	807367784	VIUPWNMCZPTAPD-UHFFFAOYSA-N	315.362	1.399	50	20	DDGD	
CC[C@H](C)[C@H](CNC(=O)NNc1cncc(Cl)n1)OC	298093564	LSQQWUVRVXFOEJ-IUCAKERBSA-N	301.778	1.817	50	20	DDGD	
Cc1cccc(CCNC(=O)NNC(=O)[C@@H]2CCCCO2)c1	296434126	TWSFYRWPMLEADY-AWEZNQCLSA-N	305.378	1.437	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1c(F)cccc1OC(F)(F)F	808068453	ZNYWREAWTSKGDS-UHFFFAOYSA-N	316.232	1.054	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNc2cccc(F)n2)cc1	807392891	NKCZYJNGLCOCMB-UHFFFAOYSA-N	302.309	1.865	50	20	DDGD	
C[C@H]1CCCN(c2cc(C(=O)NNc3cnccn3)ccn2)C1	290912952	AGZUNSNJYMHGDB-LBPRGKRZSA-N	312.377	1.865	50	20	DDGD	
CN(NC(=O)Cc1ccc2c(c1)OCO2)C(=O)OC(C)(C)C	297808683	WRFQDNPENSPVPD-UHFFFAOYSA-N	308.334	1.856	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)CCCOc2ccccc2)O1	294147042	HJCNMNZQCJLRTL-JSGCOSHPSA-N	306.362	1.561	50	20	DDGD	
O=C(Cc1csc(-c2cccs2)n1)NNC(=O)C1CC1	299284452	FCENHEWZDHJZTM-UHFFFAOYSA-N	307.400	1.972	50	20	DDGD	
COCCN(C)NC(=O)c1cn(-c2cccc(Cl)c2)nn1	294568276	XSKOFWXDSWJOMN-UHFFFAOYSA-N	309.757	1.144	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C)cc1)c1cn(C)c(C)n1	800807550	XBMQVTIVUZCKGR-UHFFFAOYSA-N	300.362	1.956	50	20	DDGD	
O=C(NNC(=O)c1ccncn1)Nc1ccc(OC(F)F)cc1	802046679	HTELNXIKRVBWBT-UHFFFAOYSA-N	323.259	1.545	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1ccc2oc(O)nc2c1	806865250	URMKVLLXXJSMEV-UHFFFAOYSA-N	305.681	1.734	50	20	DDGD	
CC(C)(CO)CCCNC(=O)NNc1ncc(F)cc1F	297390264	WHMCQJOTZVQPEM-UHFFFAOYSA-N	302.325	1.785	50	20	DDGD	
Cc1nc(-c2ccccc2)oc1C(=O)NNC(=O)[C@@H]1CCCO1	294703404	RBTKUCSKGLYWNH-LBPRGKRZSA-N	315.329	1.590	50	20	DDGD	
O=C(NCCn1cncn1)NNc1cc(C(F)(F)F)ccn1	296349045	IOOLXZRXLFJIMZ-UHFFFAOYSA-N	315.259	1.018	50	20	DDGD	
Cn1cc(-c2n[nH]cc2C(=O)NNc2cccc(F)n2)cn1	804769714	LFLAAWFFDBAXSH-UHFFFAOYSA-N	301.285	1.101	50	20	DDGD	
CCOc1ccccc1CNC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	297389718	NSXHFUZDQCKAQS-FZMZJTMJSA-N	321.377	1.483	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNC(=O)Nc2ccc(Cl)cc2)c[nH]1	802020510	YPXBEZQWPQINPP-UHFFFAOYSA-N	320.736	1.803	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)c1cc(-c2ccccc2)on1)C1CC1	804194691	PESXLJANHKFJSW-MRXNPFEDSA-N	315.329	1.264	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H]1CCc2nncn2C1	815218220	BMXDEZVQQSVLFY-SECBINFHSA-N	318.289	1.363	50	20	DDGD	
Cc1ncc2n1CC[C@H](C(=O)NN=c1cc[nH]cc1Cl)C2	810510998	GOPCAUJHYYSBHN-JTQLQIEISA-N	305.769	1.368	50	20	DDGD	
COc1ccc([N+](=O)[O-])cc1C(=O)NNc1ncncc1F	817080168	GYOAPSQJIAUPRL-UHFFFAOYSA-N	307.241	1.289	50	20	DDGD	
CCO[C@H]1COCC[C@H]1NC(=O)NNc1cccc(Cl)n1	814320504	TVFFNKDBASBRMW-ZJUUUORDSA-N	314.773	1.555	50	20	DDGD	
CN(NC(=O)Cn1c(S)nnc1-c1cccs1)C1CC1	819643686	KGYSLBJYFODSMA-UHFFFAOYSA-N	309.420	1.421	50	20	DDGD	
COCC(=O)NN=C1COc2cc(F)c(Br)cc21	814871419	RVEFLPQRKPBIIJ-UHFFFAOYSA-N	317.114	1.447	50	20	DDGD	
O=C(NNc1ncncc1F)[C@H]1CC(=O)N(c2ccccc2)C1	817078090	SGQRSFKIAQYORA-JTQLQIEISA-N	315.308	1.112	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1ccc(Cl)cc1)c1ccncc1	813362842	KCVWXLQFVWDJHI-LBPRGKRZSA-N	305.721	1.230	50	20	DDGD	
CCC(CC)(CNC(=O)NNc1ncc(F)cc1F)C(=O)O	818627566	LETOCGOQIYKWSQ-UHFFFAOYSA-N	316.308	1.877	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1cnn(CC(F)F)c1	814218366	DMSWOSKXHWVKBT-UHFFFAOYSA-N	322.315	1.850	50	20	DDGD	
O=C(NNC(=O)c1cccnc1F)Nc1cc(F)cc(F)c1	813573400	GYBVVNBSVBRTCW-UHFFFAOYSA-N	310.235	1.965	50	20	DDGD	
CCC(=NNC(=O)[C@H](C)CN1CCOCC1)c1ccc(F)cn1	814762734	JAJHMVVZZNBERO-GFCCVEGCSA-N	322.384	1.419	50	20	DDGD	
Cc1ccc(-c2cncc(C(=O)NNc3cnnn3C)c2)cc1	816771121	ZCXIHKBWWWVSGC-UHFFFAOYSA-N	308.345	1.942	50	20	DDGD	
C=CCCn1cc(C(=O)NNC(=O)CCc2ccccc2)nn1	819207022	CPZIGOGNIBUCOG-UHFFFAOYSA-N	313.361	1.248	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)c1cc(Cl)ccc1O	812454877	SDCOCZAOFKXSLK-DTWKUNHWSA-N	314.769	1.725	50	20	DDGD	
Cc1nsc(C)c1C(=O)NNC(=O)CCOc1ccccc1	814675939	WXMJVDZZNWOBJZ-UHFFFAOYSA-N	319.386	1.990	50	20	DDGD	
CC(C)[C@H](C(=O)NN(C)C1CC1)n1nnc(-c2ccccc2)n1	819646133	KTMKYKMSFRVSLD-CQSZACIVSA-N	314.393	1.663	50	20	DDGD	
Cn1cc(/C=C/C(=O)NNC(=O)Cn2ccc3ccccc32)cn1	729449947	LPRQUXDQBUWVHB-VOTSOKGWSA-N	323.356	1.236	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1ccc2oc(=O)ccc2c1	726872725	QQHNRHAWZRXELQ-UHFFFAOYSA-N	324.296	1.655	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CC[C@H](CC(=O)O)[C@H]1C	814854104	CPNOHURIIJMOOS-NXEZZACHSA-N	311.382	1.284	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CCc1cncs1	814406992	SLFXTNFUHMGQCQ-UHFFFAOYSA-N	319.386	1.474	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1ccccc1O[C@@H]1CCOC1	827690553	NUPDQBRHUJTLIV-CYBMUJFWSA-N	321.377	1.089	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(O)cc(Br)c1	823908175	UPEUDMLMIPSPOB-ZETCQYMHSA-N	303.156	1.112	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)/C=C\c1cccs1	726077265	UATMDWAUMQXPAU-SREVYHEPSA-N	313.448	1.635	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=O)c2ccc(Cl)cc2F)CC1	826615416	IHAGCPXZZOLEQT-UHFFFAOYSA-N	312.728	1.999	50	20	DDGD	
CC(C)[C@@H](NC(=O)O)C(=O)NNc1cc(F)c(F)c(F)c1	824137894	WPCUICAEBBZLEB-SNVBAGLBSA-N	305.256	1.839	50	20	DDGD	
Cn1ccc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c1	826363120	YICUKIKVNLTRGG-UHFFFAOYSA-N	318.728	1.011	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cnc(F)c(Cl)c1)C1CC1	824446652	PEXYONGBLDAAMW-LURJTMIESA-N	316.789	1.782	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(Cl)nc(C(F)(F)F)c1	823946718	NMCHQTPLJTZXLO-ZCFIWIBFSA-N	311.691	1.711	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC2CC2)cnc1Br	820758225	SPFAKTFCCWPJLN-UHFFFAOYSA-N	312.167	1.714	50	20	DDGD	
C[C@H](CO)N(CC1CCC1)C(=O)/C(C#N)=C\c1cnn(C)c1	491173639	DKWVYECTLGGWFQ-FVTUNSQFSA-N	302.378	1.337	50	20	DDGD	
COc1cc(C(=O)NN(C)[C@@H](C)CO)ccc1OCC(C)C	823987010	CNLLJDRSCVIQAD-LBPRGKRZSA-N	310.394	1.687	50	20	DDGD	
CN(Cc1cc(Cl)cn1C)C(=O)/C(C#N)=C/c1cnn(C)c1	491137370	XGMPSOMEBVRTOQ-UUILKARUSA-N	317.780	1.978	50	20	DDGD	
CC(C)O[C@@H]1CCN(C(=O)NNC(=O)c2ccc(C#N)cc2)C1	825814982	TXHSQDOANUCDDO-CQSZACIVSA-N	316.361	1.412	50	20	DDGD	
CCN(Cc1ccc(C)cc1)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	827308157	YSSUEROQSCELAV-ZFWWWQNUSA-N	319.405	1.983	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C	495693073	LQBLLUDCDCIPAR-RKDXNWHRSA-N	303.359	1.265	50	20	DDGD	
Cc1cccc(-c2nc(C)c(C(=O)NN(C)[C@H](C)CO)[nH]2)c1	823939324	IZAWJQQNGQSIIX-LLVKDONJSA-N	302.378	1.651	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2C[C@H](c3ccccc3F)C2)c(F)c1	585040027	YLWSCIUTPMROQS-MQMHXKEQSA-N	317.144	1.680	50	20	DDGD	
C[C@@H](OCC(F)(F)F)c1nc(-c2cccc(B(O)O)c2)no1	585053455	LCTUSRVUHWJEAU-SSDOTTSWSA-N	316.044	1.056	50	20	DDGD	
COc1ccc(C=NNC(=O)CNC(=O)OC(C)(C)C)cc1O	494724461	COJGECJBSCPGMS-UHFFFAOYSA-N	323.349	1.376	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccnc(Cl)c1Cl	908517045	GRJJZBVCFYAFFQ-QMMMGPOBSA-N	318.160	1.719	50	20	DDGD	
CCC(=O)C1(C(=O)NNc2ccc(OC)cc2[N+](=O)[O-])CC1	827053329	KCHBZDHFYYLVSR-UHFFFAOYSA-N	307.306	1.806	50	20	DDGD	
CCc1nnc(C(=O)NNc2nccnc2C2CCC2)s1	908196864	OGBUYDPYCZDIFO-UHFFFAOYSA-N	304.379	1.915	50	20	DDGD	
CCc1oc(/C=C(/C#N)C(=O)NCCOC)cc1C(=O)OC	490912475	XKGJLDGUFFDIPZ-YFHOEESVSA-N	306.318	1.298	50	20	DDGD	
C=CC(C)(C)C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	822189765	SZRXEBGYABWWSR-UHFFFAOYSA-N	322.361	1.686	50	20	DDGD	
C[C@H](OCC1CC1)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	824728204	FAYXCBBHCHZOTI-VIFPVBQESA-N	302.338	1.125	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)c1c[nH]c(-c2nn[nH]n2)c1	826447438	FYJFOHFVGAEOBU-UHFFFAOYSA-N	305.248	1.230	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1C[C@H](c2ccccc2)C1	826693543	WJAPMEULFDFHFL-NGFQHRJXSA-N	317.389	1.688	50	20	DDGD	
CN(CCN1CCCC1=O)C(=O)[C@@]1(C)C[C@@H]1Br	906663114	FIIUKNSJOYJOLD-CABZTGNLSA-N	303.200	1.241	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)NNC(=O)C1CC1	491616723	MGIFKWZFCCZMCI-MNOVXSKESA-N	311.382	1.237	50	20	DDGD	
Cc1nn(C(C)C)c(C)c1NC(=O)c1cccc(B(O)O)c1	584932538	OFRIBTQBSYCMKY-UHFFFAOYSA-N	301.155	1.013	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C#N)cc1)c1nccs1	732622321	PTXYNHOYHXIPPK-UHFFFAOYSA-N	300.343	1.934	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)cc1C	905103825	KALGUXOJUBWWCC-APHBMKBZSA-N	316.357	1.055	50	20	DDGD	
COC(=O)N(C)NC(=O)C(=O)c1ccc(OC)c(Cl)c1	496680025	NSHGRPFTPXSMHS-UHFFFAOYSA-N	300.698	1.261	50	20	DDGD	
COCCOc1ncccc1C(=O)NNc1ccc(Cl)nn1	735689199	QPMRDRVMFAGQII-UHFFFAOYSA-N	323.740	1.307	50	20	DDGD	
COc1ccc(C=O)cc1C(=O)NNC(=S)NC(C)(C)C	900001813	WVDIMVDZLHEXEF-UHFFFAOYSA-N	309.391	1.415	50	20	DDGD	
COc1ccc(NNC(=O)/C=C/CN(C)CC(F)(F)F)nc1	493149620	IPROYSVZULIWSY-ONEGZZNKSA-N	318.299	1.584	50	20	DDGD	
CC(C)Cc1ncc(NC(=O)NNc2ncncc2F)cn1	836579445	JWZVWCYEVKRCJO-UHFFFAOYSA-N	305.317	1.753	50	20	DDGD	
CCc1cc(NNC(=O)c2ccn(C)n2)nc(-c2ccccn2)n1	738531896	OUBVSEJJBQMKJY-UHFFFAOYSA-N	323.360	1.591	50	20	DDGD	
O=C(CCc1ccco1)NN[C@@H](C(=O)O)c1ccc(F)cc1	739259154	JSAIFQZNIALYIF-CQSZACIVSA-N	306.293	1.798	50	20	DDGD	
Cc1nn(C)cc1COC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	837406155	VCMZUMCZZBDNRQ-RZNTYIFUSA-N	323.356	1.898	50	20	DDGD	
Cc1ccc(NNC(=O)C2=NN(CCO)C(=O)CC2)c(Cl)c1	836937812	NHFBBSFLFQSKGV-UHFFFAOYSA-N	324.768	1.062	50	20	DDGD	
CC(C)(C)OC(=O)C1(C(=O)NN=c2cc[nH]cc2)CCOCC1	907257195	PTVGNLBHBRPMLO-UHFFFAOYSA-N	321.377	1.085	50	20	DDGD	
CC(C)(CCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)C1CC1	838624933	GETSCRHHJUUVJD-AWEZNQCLSA-N	317.455	1.194	50	20	DDGD	
C[C@@H](c1ccccc1)N(C)C(=O)CN(C)S(=O)(=O)CCl	831398105	KYJVZANKPFBJSA-NSHDSACASA-N	318.826	1.664	50	20	DDGD	
CN(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2cccc(B(O)O)c2)cc1	584909487	DTZWKLFKWDGKIB-DLBZAZTESA-N	324.189	1.175	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)[C@@H]1CCCCN1C1CCCC1	833243379	RFFXTAQMRKKKIE-LSDHHAIUSA-N	323.437	1.500	50	20	DDGD	
COCCN(C)NC(=O)c1cc(-c2ccccc2)c(C)nc1O	837622993	GCAVSFJGGUALBH-UHFFFAOYSA-N	315.373	1.986	50	20	DDGD	
CC(C)C(=O)N1CCC[C@H]1C(=O)NNc1cccc(C(=O)O)c1	833462712	PZUHGSDNYQLNGT-ZDUSSCGKSA-N	319.361	1.475	50	20	DDGD	
CC(C)N(C)CC(=O)NNc1ccc(Br)nc1	732834764	QATDVESKRLOFHS-UHFFFAOYSA-N	301.188	1.627	50	20	DDGD	
O=C(NNc1ncccn1)c1ccc(N=c2cc[nH]cc2)cc1	735845204	JSILYMJRGKXPSP-UHFFFAOYSA-N	306.329	1.794	50	20	DDGD	
COCCCN(C)CCNC(=O)[C@]1(C)C[C@H]1Br	906804369	WJVQITLAIBVNRP-ZYHUDNBSSA-N	307.232	1.244	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)c1cnn2cccnc12	733810256	APKRWKBVRKZKBQ-UHFFFAOYSA-N	305.301	1.429	50	20	DDGD	
C[C@H](C(=O)O)n1cccc1C=NNC(=O)c1ccccc1O	833406208	LPZZEZLENVABCT-SNVBAGLBSA-N	301.302	1.603	50	20	DDGD	
OB(O)c1ccc(CN[C@@H](c2cc(F)ccc2F)C2CC2)o1	585027383	RRZQJAJUVPYWBW-OAHLLOKOSA-N	307.105	1.479	50	20	DDGD	
Cc1nc(-c2cnn(C)c2)sc1C(=O)NNC(=O)C1CCC1	734437393	UPCWJBWRKSGEKO-UHFFFAOYSA-N	319.390	1.413	50	20	DDGD	
CC(C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1)=C1CCC1	833069971	HYBBUEOSHKMVNZ-UHFFFAOYSA-N	323.418	1.880	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NCCCSC)ccc1F	838482477	QQPKOVJZJIOHHR-UHFFFAOYSA-N	315.370	1.992	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@]1(C)C[C@H]1Br	905240103	ZMXKFPLKNAYIJO-ZWNOBZJWSA-N	311.179	1.930	50	20	DDGD	
C[C@H](NCc1ccc(B(O)O)cc1)c1ccccc1OC(F)F	585015040	MSKOSQMPDAOMCR-NSHDSACASA-N	321.132	1.819	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)CNc1ccccc1)c1cnn(C)c1	839477001	AXPPLUJMBMECBL-GFCCVEGCSA-N	315.377	1.173	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H](C)Cc2cnn(C)c2)cc1	837311411	UUIGGMDTYDRNMH-LBPRGKRZSA-N	314.389	1.622	50	20	DDGD	
COCCN(C)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(C)c2)C1	837625107	IEGGAGCANLBDHD-GFCCVEGCSA-N	323.368	1.096	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCC[C@@H](c2ccccc2)C1	584993672	YZKUVJNOBORJDF-MRXNPFEDSA-N	309.174	1.386	50	20	DDGD	
CN(C)C(=O)NNS(=O)(=O)/C=C\c1cccc(Cl)c1	588482551	LHQWNZKSAQRIFG-SREVYHEPSA-N	303.771	1.416	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cnn2cccnc12)c1ccccc1	731174218	GPVDYDOKXHKTDX-UHFFFAOYSA-N	323.356	1.468	50	20	DDGD	
COc1cccc(CCNC(=O)NNC(=O)[C@@H]2CCCCO2)c1	836221232	HNDQVNNXZUYGFB-AWEZNQCLSA-N	321.377	1.137	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@H]2OCC)cc1	916163110	QEWOMLYXOGCMAQ-CHWSQXEVSA-N	323.418	1.828	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccc([N+](=O)[O-])c(O)c1	918364339	NFCCDCHUNDTMJX-UHFFFAOYSA-N	307.184	1.014	50	20	DDGD	
COc1ccc([C@H]2CCCCC2=NNC(=O)C(N)=O)cc1F	732710594	NMLOFTVJFCHLNS-SNVBAGLBSA-N	307.325	1.449	50	20	DDGD	
CC1(C)OCC(NS(=O)(=O)c2ccc(CCl)cc2)CO1	914367480	QCBPYOYDCRQVFG-UHFFFAOYSA-N	319.810	1.855	50	20	DDGD	
CCOC1(C(=O)NNc2ccc(F)cc2F)CCOCC1	830782826	YMZUQDLWZYYDHM-UHFFFAOYSA-N	300.305	1.994	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2cnc(C)[nH]2)c1	731891366	LXNBQNNWWVCPMI-UHFFFAOYSA-N	302.334	1.175	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NCc1cocn1	730912697	TZLWXIMFSFZIAT-UHFFFAOYSA-N	318.333	1.146	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1C(=O)Nc2c(F)cc(C)cc21	914773076	JODAWROPFGIVJO-UHFFFAOYSA-N	320.368	1.638	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O	919702382	HPWGVKGENSKSLG-ZDUSSCGKSA-N	321.352	1.372	50	20	DDGD	
CCc1c(C(=O)NNC(=O)Cc2ccc(Cl)cc2)cnn1C	915618419	NGZUMXMAYGAODQ-UHFFFAOYSA-N	320.780	1.640	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1c([N+](=O)[O-])c(C)nn1C	918759392	XTBSUPCWVLMHAK-UHFFFAOYSA-N	317.305	1.020	50	20	DDGD	
COCC[C@H](C)CNC(=O)NNC(=O)COc1ccc(C)cc1	840398160	CRIVRKFBXQFSNN-ZDUSSCGKSA-N	323.393	1.377	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(-c2ccccc2)no1	843648177	WGQQZTMBLNNHFQ-PWSUYJOCSA-N	315.329	1.528	50	20	DDGD	
CCC[C@@H](C)[C@H]1CCCN1C(=O)NNC(=O)c1ncccn1	841592563	RVDMVCZUGJUUSW-VXGBXAGGSA-N	305.382	1.732	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cc(F)c(O)c(F)c1	749858309	IKOLLNLIBFRRRP-UHFFFAOYSA-N	312.301	1.781	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cnc([C@@H]2CCCO2)s1	842561021	IJBVZKYCJUKGEC-WCQGTBRESA-N	309.391	1.870	50	20	DDGD	
C[C@H]1OC(=O)N[C@@H]1C(=O)NNc1cc(Cl)ccc1Cl	841409283	RRYTXQNDSMSJRC-ANLVUFKYSA-N	304.133	1.933	50	20	DDGD	
CCOc1cccc(C=NNC(=O)C(=O)NC(CC)CC)c1	740762908	NUHAPCRLXUCINH-UHFFFAOYSA-N	305.378	1.840	50	20	DDGD	
CCC[C@H](CC1CCCC1)C(=O)NNC(=O)CN1CCCC1=O	913730883	MKVWFGBHOABMHU-CQSZACIVSA-N	323.437	1.753	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cn[nH]c2)ccc1OC(C)C	916143397	ATRDFHSRSAGLOU-UHFFFAOYSA-N	318.333	1.280	50	20	DDGD	
CCOc1ccc(NNC(=O)C23CC(C(=O)OC)(C2)C3)cc1	843895528	ROQHRRLIBSDOBF-UHFFFAOYSA-N	304.346	1.872	50	20	DDGD	
C=CCc1ccc(OCC(=O)NN(C)C[C@H](C)O)c(OC)c1	910178886	QBLLIFJYUSRGEG-LBPRGKRZSA-N	308.378	1.146	50	20	DDGD	
CCn1cncc1C=NNC(=O)COc1ccccc1OC	841606552	HMVXJZHRAZAFTQ-UHFFFAOYSA-N	302.334	1.441	50	20	DDGD	
CCCN(CCC)CCCC(=O)NNC(=O)c1ncccn1	841444188	DCCNFEULCKKCOY-UHFFFAOYSA-N	307.398	1.140	50	20	DDGD	
COc1ccc(Br)cc1C(=O)NNC(=O)C1CC1	741661432	WMZMDEJMWIXZKC-UHFFFAOYSA-N	313.151	1.629	50	20	DDGD	
Cc1ccc2c(c1)N(CC(=O)NNC(=O)C(C)(C)C)C[C@H](C)O2	747970152	OUSPRFHJTUEIGH-LBPRGKRZSA-N	319.405	1.776	50	20	DDGD	
CCOc1cccc(NC(=S)NNC(=O)c2cnn(C)c2)c1	743002773	SJKFCPCCZBTRSJ-UHFFFAOYSA-N	319.390	1.450	50	20	DDGD	
N#Cc1ccc(CNC(=O)NNC(=O)CC(F)(F)F)cc1	918067647	RUBOMGYQHNPCNS-UHFFFAOYSA-N	300.240	1.341	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)CCNC(=O)c2ccco2)n1	748339444	UQPDJBJZMCNAJJ-UHFFFAOYSA-N	323.740	1.295	50	20	DDGD	
C[C@@]1(C(=O)Nc2nn3cnnc3s2)C[C@H]1Br	913490073	HHUXLNSTXBEPAC-SPGJFGJESA-N	302.157	1.298	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(N(C)C)cc1F	843663800	YKYMRUGXUQUHCR-GXSJLCMTSA-N	309.341	1.078	50	20	DDGD	
NC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)Cc1ccc(F)cc1	841951435	WMLQPHCDVUAQHJ-JSGCOSHPSA-N	322.384	1.216	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@@H](c1ccccc1)n1cccn1	748700178	XNKUVERYEFJUTF-OAHLLOKOSA-N	323.356	1.272	50	20	DDGD	
CC[C@H](NC(=O)NN[C@]1(C)CCS(=O)(=O)C1)[C@@H]1CC1(C)C	842189039	CGUJXGYZWWWLGR-COPLHBTASA-N	317.455	1.192	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)Cc2nc(C)cs2)[nH]n1	842525714	URBRITREVBXPTP-UHFFFAOYSA-N	321.362	1.044	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNc1c(F)cccc1F)C(=O)O	848590021	LQCCNEJQDWZQSD-MRVPVSSYSA-N	301.293	1.948	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)N[C@@H]1CCCNCC1	841979100	QAMNHSYMAHVGCA-OAHLLOKOSA-N	318.421	1.482	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccc2c(c1)nc(O)n2CC1CC1	929232417	QSZWUBUXJSJIAT-UHFFFAOYSA-N	314.345	1.323	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H]2C[C@H](O)C2)c1C	856393055	JWUJVIXIMQGDQU-ONZGDQKGSA-N	317.389	1.298	50	20	DDGD	
O=C(NNC(=O)c1cc[nH]n1)c1ccc2c(c1)CCCCC2=O	855356539	TXFIWXIJFLZPPX-UHFFFAOYSA-N	312.329	1.394	50	20	DDGD	
CC(C)CC(=O)NCCC(=O)NC[C@@]1(C)C[C@@H]1Br	857399510	WVMLLRUYYVNMAY-GXFFZTMASA-N	319.243	1.829	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2cc(C(F)(F)F)ccn2)c1O	857513572	GPXBUZZDRUVWPN-UHFFFAOYSA-N	301.228	1.594	50	20	DDGD	
CCCN(CC)c1ccc(C(=O)NNc2cnnn2C)cc1	857271688	VPMVINRIAPAJRL-UHFFFAOYSA-N	302.382	1.808	50	20	DDGD	
COc1ccc(NNC(=O)Cc2nn(C)c3ccccc23)nc1	857490357	MRAALTNYSDADQO-UHFFFAOYSA-N	311.345	1.663	50	20	DDGD	
CO[C@H]1CN(C(=O)NC[C@]2(C)C[C@H]2Br)C[C@H]1OC	856956199	VODXPOJIUYXWJW-KLBPJQLPSA-N	321.215	1.215	50	20	DDGD	
C[C@]1(CCC(=O)NNc2ccc([N+](=O)[O-])cc2)CCC(=O)N1	753431233	USIRMOZUWAFKHL-CQSZACIVSA-N	306.322	1.487	50	20	DDGD	
CNC(=O)NNC(=O)Cc1cccc(C)c1Br	858747870	LQDTWDCBTSBFBW-UHFFFAOYSA-N	300.156	1.260	50	20	DDGD	
COc1ccc(NNC(=O)c2cccc3c2oc(=O)n3C)cc1	757881509	SUEXHAQAFBPOTM-UHFFFAOYSA-N	313.313	1.897	50	20	DDGD	
C[C@]1(CNC(=O)NCCN2CCCCC2)C[C@H]1Br	856717903	HCBYJYYTZUXQQY-DGCLKSJQSA-N	318.259	1.945	50	20	DDGD	
CNc1snc(C)c1C(=O)NNC(=S)NCC1CCC1	855093326	MGWBJDNEGVLVMT-UHFFFAOYSA-N	313.452	1.402	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)c1cccc2c1OCO2	758295556	DFUUHGCDPOWHAU-UHFFFAOYSA-N	324.296	1.821	50	20	DDGD	
CN(C)c1ncc(CNC(=O)NNc2ccc(Cl)cn2)n1C	852190049	TZHVGPXGARBUFA-UHFFFAOYSA-N	323.788	1.361	50	20	DDGD	
CNC(=S)N(C)NC(=O)COc1cc(C)ccc1Cl	854929347	DYPIZWMKFZDCLT-UHFFFAOYSA-N	301.799	1.495	50	20	DDGD	
CCN1CC[C@@H](NC(=O)NNc2cc(F)cc(Cl)c2)C1=O	854048947	SCRYBRNYYCGFNI-LLVKDONJSA-N	314.748	1.726	50	20	DDGD	
COc1cccc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c1F	853390209	PWPJUNKSXVVZGT-OCCSQVGLSA-N	321.352	1.148	50	20	DDGD	
CCCN1CC[C@H](NC(=O)NNC(=O)Cc2ccc(F)cc2)C1	852631743	INJQFQZSXFRELE-AWEZNQCLSA-N	322.384	1.183	50	20	DDGD	
CC[C@@H](C)CC[C@H](O)CC(=O)NNC(=O)c1cccc(F)n1	856427361	UUEVQKSRVONLBE-MNOVXSKESA-N	311.357	1.559	50	20	DDGD	
C=CC[C@@H]1CCCCC1=NNC(=O)[C@H](C)NS(C)(=O)=O	853303864	RWBADVBEAFORIY-WDEREUQCSA-N	301.412	1.163	50	20	DDGD	
COc1ccc(CCC(=O)NN=Cc2cn(C)nc2C)cc1	755661432	MTKOQZLRRLJCGB-UHFFFAOYSA-N	300.362	1.820	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)c2ccnnc2)cc1	756751670	RQHLWHCYFLBUAJ-UHFFFAOYSA-N	317.374	1.507	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(N2CCSCC2)c(C)c1	750321432	QHFMFLMXOAPLDY-UHFFFAOYSA-N	324.406	1.941	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H](NC(C)=O)C(C)C	751174352	OLMFYOIIFOEYTJ-CYBMUJFWSA-N	310.306	1.670	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1	858142034	VLYNZTWJEIXLHX-FOCJUVANSA-N	320.389	1.581	50	20	DDGD	
CN(C)CC(=O)NN=Cc1c[nH]nc1-c1cccc(Cl)c1	755690057	VAEDGZOCVLPRSP-UHFFFAOYSA-N	305.769	1.742	50	20	DDGD	
C[C@@]1(CNC(=O)N2[C@H]3CCNC[C@H]2CC3)C[C@H]1Br	857105673	PKGNOXPUFCUMPN-UZWSLXQKSA-N	316.243	1.696	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C	753618408	BXPPNRMSOAIHGT-UHFFFAOYSA-N	308.338	1.826	50	20	DDGD	
CS(=O)(=O)NCc1ccc(C(=O)NNc2ccccc2)o1	754014618	QEUXHWWBQABTMW-UHFFFAOYSA-N	309.347	1.086	50	20	DDGD	
C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@]1(C)C[C@H]1Br	857404323	TZUALDIRKMMGDJ-RWEMILLDSA-N	319.243	1.827	50	20	DDGD	
Cc1cccnc1C(=O)OCC(=O)NNC(=O)c1ccccc1	750513998	REKFFFHCRDBHTE-UHFFFAOYSA-N	313.313	1.008	50	20	DDGD	
COc1cc(C(=O)NN=Cc2cnnn2C)ccc1OC(C)C	751135124	SEHGIEPXMBRMKG-UHFFFAOYSA-N	317.349	1.375	50	20	DDGD	
CCOC(=O)CC[C@H](O)CNC[C@]1(C)C[C@H]1Br	857241579	YLRFOYDEYIFXDZ-UMNHJUIQSA-N	308.216	1.454	50	20	DDGD	
CC(=O)NCCCCCC(=O)NC[C@]1(C)C[C@H]1Br	857688156	DJKLGBZUPSWVNF-YPMHNXCESA-N	319.243	1.973	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)C[C@@H]1CCCCO1	755798071	IMSMDIBDOZYVDJ-NSHDSACASA-N	312.391	1.492	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H]2CCCN2Cc2ccccn2)n1	862522865	KBFNQIPIUFPGSX-OAHLLOKOSA-N	311.389	1.893	50	20	DDGD	
CCCS(=O)(=O)/C(C#N)=C/c1cn(C[C@@H]2CCCO2)nn1	865223590	JKICRMKBPVKASM-ALFJJAPYSA-N	310.379	1.146	50	20	DDGD	
CC[C@@]1(C(=O)NNc2ncc(Cl)cc2Cl)CCNC1=O	867493397	LDWUQWOJNKODMH-GFCCVEGCSA-N	317.176	1.748	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCSC1)c1ccc(Cl)cc1F	762188241	XMQDSDMXRCUYTA-ZETCQYMHSA-N	302.758	1.993	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc(Cn2ccnn2)cc1)C(F)(F)F	862323484	VZXMWTRVRFGABQ-SECBINFHSA-N	313.283	1.512	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2c(Cl)nc3ccccn23)n[nH]1	767404199	YEURIQZRTUIMIA-UHFFFAOYSA-N	316.752	1.712	50	20	DDGD	
CN(CC(=O)NNc1nc2ccccc2[nH]1)[C@@H]1CCSC1	768493683	AWVLEGHCGCKNLB-SNVBAGLBSA-N	305.407	1.443	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C1CN2CCC1CC2	864049477	UBTJVBDTBGQVRU-UHFFFAOYSA-N	303.362	1.272	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H](C)c1ccc(C)o1	769768081	WSIUXGXURXFQSK-VIFPVBQESA-N	301.437	1.550	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1ccc(C(=O)O)s1	865214299	QRSKOLAOIZPJOG-CSKARUKUSA-N	308.359	1.896	50	20	DDGD	
O=C(CCc1nnc(C2CCCC2)o1)NNC(=O)C1CCC1	760568385	DTIUCSIXBDOZLH-UHFFFAOYSA-N	306.366	1.607	50	20	DDGD	
CCC(=NNC(=O)C(=O)NC1CC1)c1cccc(Cl)c1F	763408854	RSNFCHORRQEAFN-UHFFFAOYSA-N	311.744	1.988	50	20	DDGD	
Cc1cc(C(=O)NN=C2C(=O)Nc3c(C)ccc(Cl)c32)n[nH]1	764794904	JZMDWBZHJFPMOL-UHFFFAOYSA-N	317.736	1.766	50	20	DDGD	
CC(C)=C[C@H]1[C@H](C(=O)NNC(=O)Cc2cc(C)[nH]n2)C1(C)C	869013092	MBJUDXRNDFGWOF-GXTWGEPZSA-N	304.394	1.646	50	20	DDGD	
COc1cc(C=NNC(=O)Cc2cc(C)[nH]n2)cc2c1OCO2	767404201	YKPGARAJZLXJOY-UHFFFAOYSA-N	316.317	1.148	50	20	DDGD	
CC(C)CN(CC(=O)NNC(=O)C(C)C)Cc1ccccn1	932447719	JQCDCDHYHJUSRC-UHFFFAOYSA-N	306.410	1.343	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)[C@H]1CCn2cncc2C1	764581185	NAKSBZQZRRFXNV-JTQLQIEISA-N	324.344	1.238	50	20	DDGD	
COC1(C=NNC(=O)C(=O)Nc2ccc(C)cc2)CCOCC1	761778494	ULJOTECZWWZJFF-UHFFFAOYSA-N	319.361	1.231	50	20	DDGD	
COC(=O)c1ccc(C(=O)NN[C@@H](C)C(F)(F)F)c(F)c1	862319160	XUCVSYZHRSRHKK-LURJTMIESA-N	308.231	1.798	50	20	DDGD	
COc1cc(C#N)ccc1NC(=O)NNC(=O)c1c[nH]nc1C	766251824	PEPKCBIFZILSPJ-UHFFFAOYSA-N	314.305	1.065	50	20	DDGD	
CC[C@@H](NC(C)=O)C(=O)NNC(=O)C(C)(C)c1ccccc1	865632174	RCGYBWWNSKHIFH-CYBMUJFWSA-N	305.378	1.026	50	20	DDGD	
C[C@H](c1ccccc1F)[C@H](O)C(=O)NNC(=O)NCC1CC1	865016055	UPHVVWQYDYDSMC-RNCFNFMXSA-N	309.341	1.031	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1c[nH]c2cccc(F)c12	763358846	YCDXIUKEENBEMR-JTQLQIEISA-N	307.325	1.809	50	20	DDGD	
CCCN1CCCC[C@H]1C(=O)NNc1nc(C)cc(OC)n1	1116180858	WSCGLGMZECHCQK-LBPRGKRZSA-N	307.398	1.501	50	20	DDGD	
CCC(C)(CC)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	768731859	WCKSPCYJFHAZAG-UHFFFAOYSA-N	315.414	1.875	50	20	DDGD	
CCSCc1cccc(NC(=O)C(=O)NNC(=O)C(C)C)c1	763833039	UYWCEMIXHMZHDF-UHFFFAOYSA-N	323.418	1.682	50	20	DDGD	
C[C@@H](CBr)COC(=O)CN1CCCCCC1=O	770303519	HMZZKYPOOREGSV-JTQLQIEISA-N	306.200	1.963	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cnc2c(cnn2C)c1	772870854	QAMBEQFMAJSYRS-UHFFFAOYSA-N	311.349	1.639	50	20	DDGD	
CC(=NNC(=O)N(C)C)c1ncc(Br)cc1F	777434406	VKWQCUQQGIHKDA-UHFFFAOYSA-N	303.135	1.978	50	20	DDGD	
C[C@H](CBr)COC(=O)[C@H](C)NC(=O)c1ccco1	770305559	PZILDPBSLYVXIE-BDAKNGLRSA-N	318.167	1.972	50	20	DDGD	
CCOCC(=O)NN=Cc1cc(OC)c(OC)cc1Cl	872350231	PLVFIQKECGEUDD-UHFFFAOYSA-N	300.742	1.844	50	20	DDGD	
COc1cccc(NNC(=O)NNC(=O)c2ccccc2C)n1	779966258	CKRSZZRNKZHABD-UHFFFAOYSA-N	315.333	1.370	50	20	DDGD	
COCCCOCC(=O)NNC(=O)c1nc2ccccc2s1	874914098	LFILJMDQLRYDSP-UHFFFAOYSA-N	323.374	1.110	50	20	DDGD	
O=C(NCC1CCN(C2CC2)CC1)NNc1ncncc1Cl	770621624	HERNHFZUBFOLQF-UHFFFAOYSA-N	324.816	1.631	50	20	DDGD	
CCO[C@H](C)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874950436	CLGMJEIWJXGFAE-SNVBAGLBSA-N	310.423	1.495	50	20	DDGD	
Cc1nccc(NC(=O)NNC(=O)Cc2ccccc2F)n1	776494036	UHOJGSTTXYAFBV-UHFFFAOYSA-N	303.297	1.320	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Nc1ccncn1	770764472	XVEPKQUKCIXHFU-VIFPVBQESA-N	319.296	1.236	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1F)[C@@H]1CCCS1(=O)=O	885106611	CNIKBSQESRPNLJ-JTQLQIEISA-N	306.746	1.499	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CCc1ccoc1	772184939	QPPXKAIXFZOQEY-LLVKDONJSA-N	310.350	1.337	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCCOC[C@H]1CCOC1	771320637	GHYUUSKOAZANAF-LBPRGKRZSA-N	311.357	1.813	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)Cc1ccccc1CO	779829790	WDDVTMUDJPXXDG-UHFFFAOYSA-N	314.341	1.651	50	20	DDGD	
CN(CCc1ccncc1)CC(=O)NNC(=O)c1cccs1	779597672	CNCSRKQBFASBKI-UHFFFAOYSA-N	318.402	1.079	50	20	DDGD	
COC[C@H](C)n1ccc(NC(=O)NNc2ncc(F)cn2)n1	779938013	YLULRIRWDZCHBH-QMMMGPOBSA-N	309.305	1.168	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C[C@@H](C)C(=O)c1ccccc1	887144263	HKVMNORPJPSBKQ-CYBMUJFWSA-N	300.358	1.846	50	20	DDGD	
O=C(C[C@H]1C=CS(=O)(=O)C1)NNc1c(F)cc(F)cc1F	885150747	ILBXCAUJCNJVDR-SSDOTTSWSA-N	320.292	1.495	50	20	DDGD	
COC(C)(C)CC(=O)NNC(=O)Cc1c[nH]c2ccccc12	784673514	FZHYWEZASWQQDH-UHFFFAOYSA-N	303.362	1.673	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cc(C2CC2)cnc1Cl	883069768	VKWZFQQECFHXAJ-UHFFFAOYSA-N	323.780	1.800	50	20	DDGD	
CC(=NNC(=O)CCc1ccccc1O)c1cc(C)nn1C	789004187	PDNWSYNOQPWGDZ-UHFFFAOYSA-N	300.362	1.907	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCc1ccc(C(=O)OC)cc1	887143124	MHBLAACEACQBAZ-UHFFFAOYSA-N	316.357	1.357	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1c(Cl)ccc2cccnc12	781121124	FUOJLRCLKIHFEY-UHFFFAOYSA-N	318.764	1.863	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2cc(C(=O)O)cn2C)CC1	1120343156	QCWQPZYRESXMEE-UHFFFAOYSA-N	320.393	1.295	50	20	DDGD	
CSC1(C(=O)NNC(=O)COc2ccc(F)cc2)CCC1	786656408	CGMWPJKPOOHNEH-UHFFFAOYSA-N	312.366	1.638	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2cccc3cc[nH]c23)n1	786262250	KOMHNVFBZLAIKR-UHFFFAOYSA-N	312.333	1.793	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(OC)ccc2OC)nc1	781519442	QYHNCBISQYZIBE-UHFFFAOYSA-N	303.318	1.864	50	20	DDGD	
CCS(=O)(=O)Nc1ccc(C(C)=NNC(=O)C(F)F)cc1	782234002	NCUKSHOAGNDAQK-UHFFFAOYSA-N	319.333	1.554	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2ccc(OC(F)F)cc2)CC1	790174451	OYHPTBFIPXIGBU-UHFFFAOYSA-N	312.320	1.579	50	20	DDGD	
C=C(CBr)COC(=O)[C@H]1CCCN(C(C)=O)C1	795407011	SUAHZNRBYCNTQB-NSHDSACASA-N	304.184	1.739	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cnn(C)c1Br	791226348	XSYIYVMXOVRHGM-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
CC(=O)NNC(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1	799324446	DFTVYUFABIIFMR-UHFFFAOYSA-N	305.363	1.040	50	20	DDGD	
Cc1cccnc1NNC(=O)CSc1nncn1C(C)C	791220419	HRRMYPVWWOTPHJ-UHFFFAOYSA-N	306.395	1.798	50	20	DDGD	
CCn1nccc1NC(=O)NNc1ccc2c(=O)[nH]ccc2c1	794259191	PTNHAYFDEOCPBQ-UHFFFAOYSA-N	312.333	1.893	50	20	DDGD	
COc1cncc(C(=O)NNc2cc(C#N)cc(Cl)n2)n1	790837711	HJWWPGKHFUUOHB-UHFFFAOYSA-N	304.697	1.162	50	20	DDGD	
COc1ccccc1-n1nccc1C=NNC(=O)c1cnn(C)c1	797402768	NRICIEAPRKLVHH-UHFFFAOYSA-N	324.344	1.378	50	20	DDGD	
CC(=NNC(=O)c1nn(-c2ccccc2)cc1O)c1ncc[nH]1	790151018	CDRWQLGUULEEDV-UHFFFAOYSA-N	310.317	1.455	50	20	DDGD	
Cc1oc(C#N)cc1C(=O)NNC(=O)c1ccc(Cl)cc1O	798108246	MRIWOYVMYGQDDT-UHFFFAOYSA-N	319.704	1.894	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)cc1OC	799856349	BGWSHSKACBIUSX-IMSIIYSGSA-N	322.361	1.278	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=C2CCCc3nn(C)cc32)c1	794474938	WKRUERRBWRQRGB-UHFFFAOYSA-N	311.389	1.957	50	20	DDGD	
COc1cccc(NCC(=O)NN=Cc2c(C)cnn2C)c1	794879473	MPKCIDDIGWYZJR-UHFFFAOYSA-N	301.350	1.299	50	20	DDGD	
COC(=O)c1cncc(S(=O)(=O)NCCSSC)c1	790350696	YIRRESDTCLMVFD-UHFFFAOYSA-N	322.433	1.158	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H]2CC(c3cccnc3)=NO2)n1	790869059	TWJSXXDUBPTTFG-LBPRGKRZSA-N	313.317	1.122	50	20	DDGD	
Cc1ncncc1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	1317862456	COXUBEVDLFHOJV-JTQLQIEISA-N	318.308	1.153	50	20	DDGD	
Nc1cnnc(NNC(=O)c2ccc(NC=O)cc2)c1Cl	1319405955	HZVKLYVMUACEDR-UHFFFAOYSA-N	306.713	1.037	50	20	DDGD	
C[C@H](C[C@@H]1CCOC1)NC(=O)NNc1nncc(N)c1Cl	1319224595	ROCJEEJJSFOVFB-SFYZADRCSA-N	314.777	1.153	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNC(=O)c2ccccc2Cl)c[nH]1	1318710665	TUYNXBWZOZRCQJ-UHFFFAOYSA-N	305.721	1.412	50	20	DDGD	
CO[C@@H](C)CC(=O)NNC(=O)c1cncn1-c1ccccc1	1318090441	JXRCVIGDFNWMRL-NSHDSACASA-N	302.334	1.058	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCc1nc(C(C)C)no1	1324514290	KPHDAYWXWQHVJQ-UHFFFAOYSA-N	304.354	1.765	50	20	DDGD	
COc1ccc(C(=O)NNS(=O)(=O)c2cc(C)oc2C)cc1	1320081683	GUBFBQOSBCEQHT-UHFFFAOYSA-N	324.358	1.528	50	20	DDGD	
Cc1cnn(CC2CC2)c1NC(=O)NNC(=O)c1c[nH]nc1C	1320118823	QUNFECVKLKKYMX-UHFFFAOYSA-N	317.353	1.100	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cn(C)cc1C(F)(F)F	1329541058	WTPXTLWXRJOCKV-HTQZYQBOSA-N	319.283	1.230	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C2(c3cccc(C#N)c3)CC2)n[nH]1	1324168825	OEFKTRLYBJRBOK-UHFFFAOYSA-N	309.329	1.083	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2ncccc2F)cc1	1321469028	BRHNQJPLPBMLFJ-UHFFFAOYSA-N	303.293	1.233	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2cccnc2N(C)C)ccn1	1323308748	ACPPXKRWLOIJHT-UHFFFAOYSA-N	312.377	1.373	50	20	DDGD	
COCc1nocc1C(=O)NNc1cc(C#N)cc(Cl)n1	1324062608	NVLHYTTZMIPWJA-UHFFFAOYSA-N	307.697	1.498	50	20	DDGD	
COCCO[C@H]1CCCN(S(=O)(=O)CCCCCl)C1	193890410	MASCTXPXTSACHD-LBPRGKRZSA-N	313.847	1.463	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)NC2CC=CC2)C[C@@H]1Br	1331078815	SEWLPCFAPQYGRF-JOYOIKCWSA-N	301.184	1.111	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1cnccc1C#N	1330125954	BZWBPVUAMCJTCV-UHFFFAOYSA-N	316.342	1.114	50	20	DDGD	
COC(=O)C(=O)NN=Cc1cc(C)n(-c2cc(C)on2)c1C	1252510697	BLMRCPNBPTZMBJ-UHFFFAOYSA-N	304.306	1.014	50	20	DDGD	
Cc1ncc(/C=C\C(=O)NNc2nncc(N)c2Cl)s1	1331498384	OUZPJPRWYWJQPA-IHWYPQMZSA-N	310.770	1.634	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1	1350778588	NZLJYOVIYXXGBG-SECBINFHSA-N	308.769	1.688	50	20	DDGD	
CC1(C)NC(=O)N(CCCNC(=O)NNc2ccccc2)C1=O	1351536907	SVZYVJWXXFAQMB-UHFFFAOYSA-N	319.365	1.033	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)Cc2ccc(F)cn2)cc1	1608781018	LIEKUQZPWWKQRG-UHFFFAOYSA-N	303.293	1.534	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1cc(-c2nn[nH]n2)cn1C	1604717083	GDMDYBHNFJCRJY-UHFFFAOYSA-N	303.153	1.081	50	20	DDGD	
CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1cncc(C)c1	1602906656	SSQWNQQWVWLNSP-UHFFFAOYSA-N	321.344	1.724	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)c1cc(C(=O)O)nn1C	1600535208	JGKYQQOHKXCOSO-UHFFFAOYSA-N	308.725	1.837	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1ccncc1	1603019784	QKEQXUSVKOCAQC-SNVBAGLBSA-N	309.333	1.509	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(C)c(C(=O)O)c2)nn1	1607206101	GKCYMPYUYAYGKW-UHFFFAOYSA-N	302.290	1.249	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H](C(=O)NNc2ccc(OC(F)F)cc2)O1	1602177085	ILWAVFBQRQMCND-ZJUUUORDSA-N	316.260	1.363	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)O)cn1	1600947155	SBXNMZGPEFVBOA-IIKFTBKPSA-N	314.345	1.039	50	20	DDGD	
O=C(O)COCC(=O)NNc1cc(C(F)(F)F)ccc1F	1602078297	VSNVWXKGOPIVOJ-UHFFFAOYSA-N	310.203	1.389	50	20	DDGD	
C[C@@H](C(=O)O)c1ccc(NC(=O)NNC(=O)C2CCC2)cc1	1609644422	UTMWYVNBHFGVIF-SECBINFHSA-N	305.334	1.828	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@H](C)CC(=O)O)cc(C#N)n1C	1611122535	QHOCHCSAIMHYBN-UKWOQQOSSA-N	300.318	1.092	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2cc(C(=O)O)no2)c2ccccc21	1610600327	HWLNTAUCZBYIBK-UHFFFAOYSA-N	312.285	1.628	50	20	DDGD	
O=C(NN=CCCC1CCOCC1)[C@@H]1CN2CCC[C@H]2CO1	1549319019	FXBKPVDZCGKTMC-GJZGRUSLSA-N	309.410	1.158	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)NN=C[C@@H]1CCCOC1	1549314074	HJMWFAOQTMIVKK-KCQAQPDRSA-N	320.393	1.416	50	20	DDGD	
CNNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1	1578741417	ODTWQGWPHBKVSD-ZDUSSCGKSA-N	301.312	1.692	50	20	DDGD	
C[C@H]1Cc2cccc(C(=O)NNc3ncccc3C(=O)O)c2O1	1589413362	YDDIABJIRCZSRR-VIFPVBQESA-N	313.313	1.860	50	20	DDGD	
CC(C)[C@H](C(=O)O)C(=O)NNC(=O)c1nc2ccccc2s1	1588807605	CFJJGPAQJJLLJM-JTQLQIEISA-N	321.358	1.414	50	20	DDGD	
O=C(C[C@H]1CNc2ccccc21)NNC(=O)[C@H]1CCCCO1	1580517441	KKOZXASGDZDAAJ-SMDDNHRTSA-N	303.362	1.302	50	20	DDGD	
C[C@@H]1C[C@@]1(C)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843365465	RXZZMKPKMBQLNC-GBIKHYSHSA-N	302.777	1.770	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)OCC(C)C)cc(-c2nn[nH]n2)n1C	1591817467	BQHMRPXTDQWHES-LFYBBSHMSA-N	314.349	1.620	50	20	DDGD	
CC1(C)C(=NNC(=O)NCC(=O)O)C[C@H]1Oc1ccccc1	1593815345	JBLOZOSTXFZGFJ-GFCCVEGCSA-N	305.334	1.604	50	20	DDGD	
COc1cccc(C(=O)NN=Cc2ccc(O)c(C(=O)O)c2)c1	1776109879	CYWGVUGXFHJMTM-UHFFFAOYSA-N	314.297	1.863	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=C[C@@H]2C[C@]23CCCOC3)c1	1776096886	WHKJTRVPEGWXSM-BBRMVZONSA-N	302.330	1.917	50	20	DDGD	
CCCNC(=S)NNC(=O)c1cccc(OC(F)F)c1	15559768	DAWUGWWJGPPDAW-UHFFFAOYSA-N	303.334	1.807	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)[C@@H]2CCCCO2)cc1	153521692	ZJWPEMYKBVARDQ-ZDUSSCGKSA-N	322.434	1.639	50	20	DDGD	
CC(C)(C)CCCC(=O)NNc1nccc(N2CCOCC2)n1	155570726	KCBUHWQDLYSXDC-UHFFFAOYSA-N	321.425	1.973	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc2c([nH]c1=O)CCCCC2	157201256	MLWADCYUJOZBHH-UHFFFAOYSA-N	320.393	1.388	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1cnc(C(F)(F)F)nc1	155904799	OXBQNEMYYCVPDG-UHFFFAOYSA-N	316.283	1.837	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc2c(c1)CCC2)c1ccccn1	7386156	MFIWELVXVCNLOJ-UHFFFAOYSA-N	317.370	1.194	50	20	DDGD	
CCCCOc1ccc(C(=O)NNC(=O)C(=O)NC(C)C)cc1	8390188	MEGLXXXGRMHSCA-UHFFFAOYSA-N	321.377	1.151	50	20	DDGD	
CNC(=O)NNC(=O)c1cnn(-c2ccc(F)cc2)c1C(C)C	56377127	XTXALOWZOGPUID-UHFFFAOYSA-N	319.340	1.709	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)[C@@H]1Cc2cc(F)ccc2O1	175842008	BDKYISNJEIXLGW-AWEZNQCLSA-N	306.337	1.857	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2CC[C@@H](C)C[C@@H]2C)n1	119107681	QKHDOACPHRNOKS-PWSUYJOCSA-N	324.450	1.262	50	20	DDGD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NNc1ccc(F)cc1F	113433189	JPQCYMODXKHVDX-ONGXEEELSA-N	300.305	1.992	50	20	DDGD	
CC(=O)NNC(=O)CCc1nc(-c2ccc(F)c(C)c2)no1	58832144	FSLGWDMWIHLRLD-UHFFFAOYSA-N	306.297	1.284	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cccn1Cc1cccs1	63265548	JTHONBLWYASPQA-UHFFFAOYSA-N	306.391	1.950	50	20	DDGD	
COc1ccccc1[C@H]1CCCN1CC(=O)NNC(=O)C1CC1	112979834	MTBUJONHAKAFOV-CQSZACIVSA-N	317.389	1.390	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNC(=O)c1c[nH]c2ccccc12	104208639	BMSAXGKVDKPEGV-OAHLLOKOSA-N	314.389	1.803	50	20	DDGD	
O=C(NCCn1cccn1)NNC(=O)c1cccc2ncccc12	114971383	HWBSJBRQISULHC-UHFFFAOYSA-N	324.344	1.076	50	20	DDGD	
C[C@H](OCC1CC1)C(=O)NNC(=O)CCCc1ccccc1	68051483	GNYHYDUGWJMCGZ-ZDUSSCGKSA-N	304.390	1.972	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2cccc([N+](=O)[O-])c2)n1	63069650	OQTJYWXHYQJTBG-UHFFFAOYSA-N	316.321	1.828	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1cc(-c2cccs2)on1	171672657	RMBQZJMXSZKMTR-UHFFFAOYSA-N	317.330	1.130	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)COCC1CC1	60605791	NZKYZZVUAKRNET-JTQLQIEISA-N	310.325	1.167	50	20	DDGD	
C[C@H](CCO)NS(=O)(=O)c1ccc(CCCCl)cc1	120255439	HHMZFUWXFOYHCJ-LLVKDONJSA-N	305.827	1.907	50	20	DDGD	
Cc1cccc2c(=O)n(CCC(=O)NNc3ccncc3)cnc12	180493688	SUPBHDYZMXFEIU-UHFFFAOYSA-N	323.356	1.633	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)c1ccccc1F)C(C)(C)C	73150224	IFDFTOGCSMDFLP-LBPRGKRZSA-N	311.357	1.831	50	20	DDGD	
CC(C)(C)OCC(=O)NNC(=O)c1cccc(OC(F)F)c1	182752886	UWIKFWRVSOZHIN-UHFFFAOYSA-N	316.304	1.864	50	20	DDGD	
Cc1nnc(NC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)s1	78230377	IYSRKEGTEOATSM-WCIBSUBMSA-N	312.358	1.911	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)CS(=O)(=O)CC(C)C	184380532	QSLJTZPSIGTOQT-UHFFFAOYSA-N	302.371	1.648	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1c(-n2cccc2)sc2c1CCC2	121097386	SWDULFPALRCJBV-UHFFFAOYSA-N	318.402	1.944	50	20	DDGD	
Cc1ccccc1[C@H](O)CNS(=O)(=O)CCCCCl	184433467	PRQHXEGFTGITFI-CYBMUJFWSA-N	305.827	1.967	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)CCc1ccco1	73061734	FUMPJFLWDXIJPJ-UHFFFAOYSA-N	318.329	1.447	50	20	DDGD	
CS[C@H](C)CC(=O)NNc1cccc(S(C)(=O)=O)c1	181125619	ZDXSQAURJMBXEB-SECBINFHSA-N	302.421	1.675	50	20	DDGD	
CCC[C@H](C)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12	78230282	WUXUXLBAPSBNSX-JTQLQIEISA-N	316.361	1.131	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cnc(C)nc2C)cc1	183447765	KIHUIBPSFFPSJC-UHFFFAOYSA-N	314.345	1.242	50	20	DDGD	
O=C(NCc1ccccc1Cn1cccn1)NNc1ncccn1	45321780	WHSXNOWNLZOZPU-UHFFFAOYSA-N	323.360	1.548	50	20	DDGD	
O=C(NCc1ccnc(N2CCCC2)c1)NNc1ccccn1	79103898	PGEPSQBNHNFIIX-UHFFFAOYSA-N	312.377	1.903	50	20	DDGD	
CCc1ncc(NC(=O)C(=O)NNc2ccc(F)cc2)cn1	181340605	GBKIDLZTSUQFSN-UHFFFAOYSA-N	303.297	1.260	50	20	DDGD	
Cc1ccc(F)cc1S(=O)(=O)NNC(=O)NCC1CC1	49152664	LBUOOWGUWZVSTH-UHFFFAOYSA-N	301.343	1.037	50	20	DDGD	
Cc1c([C@@H](C)NC(=O)NNC(=O)c2ccccc2)cnn1C	47006971	DXLLUEFLQCNMLZ-SNVBAGLBSA-N	301.350	1.434	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCCc1cn2ccccc2n1	45426584	LPIPTYZGCBLNIR-UHFFFAOYSA-N	319.365	1.616	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C(=O)Nc2ccc(Cl)cc2)n1	194317992	OQGOLESQLJHQQK-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)NC(C)C)cc1	42839826	RJURFWBLILUIOR-NSHDSACASA-N	309.366	1.591	50	20	DDGD	
CC(=O)NNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl	194108786	DHZWGLMTILBPBK-UHFFFAOYSA-N	317.581	1.976	50	20	DDGD	
O=S(=O)(CBr)N1C[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1	382817529	VAYWNQLMIWLVRH-XWLWVQCSSA-N	306.225	1.813	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cc(C2CC2)nc2ccccc12	190058935	RCKWTSBYRVTFBC-UHFFFAOYSA-N	313.357	1.644	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@H]1CC12CCNCC2	238106093	XQBOVNCXTOANTP-GFCCVEGCSA-N	313.361	1.569	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)C(=O)Nc2ccc(F)nc2)c1	190476632	XHSDHGKSSJRWQV-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNC(=O)c1ccc(Cl)cc1F	92490535	DJORXUXRJXQNII-UHFFFAOYSA-N	324.743	1.850	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)cn1	246674871	IGYSVYHNJUJQHL-KYLSFTOHSA-N	317.393	1.189	50	20	DDGD	
CN1CCC(C(=O)NN=c2sc3ccccc3n2C)CC1	255167900	AEJAYRJSGFJRCW-UHFFFAOYSA-N	304.419	1.514	50	20	DDGD	
CC(C)[C@H](C)CC(=O)NNC(=O)Cn1cnc2ccccc21	263940434	VGGGSVUFZRCYJX-GFCCVEGCSA-N	302.378	1.866	50	20	DDGD	
CC(C)CCNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	266653693	GESXKABTBJOHLE-UHFFFAOYSA-N	310.310	1.291	50	20	DDGD	
Cc1cccc(C(=O)N[C@@H](C)C(=O)NNC(=O)OC(C)(C)C)c1	263708552	QAYALZYTYDSTAO-NSHDSACASA-N	321.377	1.669	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CSC[C@@H]1C(=O)N[C@H](C)CC	269499817	WNSNNZVQXYYIBK-CKRBCLJCSA-N	311.407	1.247	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@H]1CCCc2cn[nH]c21	269048454	UKDLPYGNYIHHEH-QMMMGPOBSA-N	307.745	1.557	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CN1CCCCCC1=O	263841111	XAQWZFZWOVIMIO-UHFFFAOYSA-N	322.317	1.911	50	20	DDGD	
CCN(C(=O)[C@H](Br)C(C)(C)C)[C@H]1CC(=O)NC1=O	274506845	UFTOPNJYLJFJQV-CBAPKCEASA-N	319.199	1.060	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	278531228	DUCDJMQLMGIWRT-BMIGLBTASA-N	310.325	1.068	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C(C)(C)C)[nH]n1	277111169	XBTAHNPUZVRORR-JQWIXIFHSA-N	308.382	1.184	50	20	DDGD	
CN(C)c1noc(CCC(=O)NNc2cccc([N+](=O)[O-])c2)n1	275595128	JWJXWVQMCVZKPU-UHFFFAOYSA-N	320.309	1.120	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ccncc1Br	272806203	INBPBJXINABAMQ-UHFFFAOYSA-N	313.155	1.797	50	20	DDGD	
COc1cccc2[nH]cc(CC(=O)NNC(=O)C3CCC3)c12	272226828	HLDRHTZLMYBZEM-UHFFFAOYSA-N	301.346	1.667	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)NCc1ccc(Cl)cc1	276219918	QMMOATRXLOWJIT-UHFFFAOYSA-N	313.785	1.843	50	20	DDGD	
CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)NNc1cccnn1	277088365	CYEWTNPTUFUTMV-FZMZJTMJSA-N	316.365	1.475	50	20	DDGD	
CSSCCNC(=O)[C@@H]1CN(C)C(=O)c2ccccc21	375203888	FCWZFTPCYXBVCC-GFCCVEGCSA-N	310.444	1.983	50	20	DDGD	
COCc1cnc(NC(=O)NNc2nccc(OC)n2)s1	287550844	OIJKVMLCLCEVFR-UHFFFAOYSA-N	310.339	1.237	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cnc(C)nc2C2CC2)n1	282786071	PQFDINWKHKGELV-UHFFFAOYSA-N	314.349	1.526	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNC(=O)COc1cc(C)cc(C)c1	285107613	UPJOQNGQCOVNTH-MRXNPFEDSA-N	303.362	1.770	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1	286272800	IFURQEREPSPNLG-WCQYABFASA-N	319.361	1.326	50	20	DDGD	
COC1(CC(=O)NNc2ccc(-n3ccnc3)nn2)CCC1	286543649	HCHZCJMYLCIORR-UHFFFAOYSA-N	302.338	1.065	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)cn1	281849064	BCRMMKPOSQUJSL-VDDIYKPWSA-N	324.406	1.221	50	20	DDGD	
CC1(C)CC[C@@H]1NC(=O)NNc1ccc(-n2cccn2)nn1	287934064	FAGMMGJWTFWLTA-JTQLQIEISA-N	301.354	1.477	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(O)n2)c2ccccc2n1	803338421	FQNIYNKHMIUWHW-UHFFFAOYSA-N	322.324	1.719	50	20	DDGD	
C[C@H](C(=O)NNc1ccncn1)[C@H]1OCCc2sccc21	295453411	LGPMKOTVOSSASI-TVQRCGJNSA-N	304.375	1.931	50	20	DDGD	
O=C(Cc1cccc(Cl)c1F)NNC(=O)c1ccncc1	809937122	JQMXSSBLYNNIPW-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccoc2Br)O1	293968440	RSRYPMHRVUWYRJ-XPUUQOCRSA-N	317.139	1.371	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc(OC(C)(C)C)cn2)n1	292671198	MEVQYMOWZBRRMW-UHFFFAOYSA-N	317.349	1.814	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1cnc2ccccc2c1	800834051	OCDGLAYQUKNGDA-UHFFFAOYSA-N	322.390	1.527	50	20	DDGD	
COC[C@](C)(O)C(=O)NNC(=O)Nc1ccc(C)cc1Cl	802047684	GOHQBCABFDKOJY-ZDUSSCGKSA-N	315.757	1.199	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	294471133	VCCSZGDSBSLJGW-ZWNOBZJWSA-N	312.341	1.556	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1ccc(C2=CCCC2)cc1	290394487	CYAGMHJOMDAYEU-UHFFFAOYSA-N	315.373	1.941	50	20	DDGD	
CO[C@H](C)CCC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802100207	VUWADXMBPMIAKS-SECBINFHSA-N	309.322	1.383	50	20	DDGD	
CCOC(=O)Oc1ccc(C(=O)NNc2ncc(F)cn2)cc1	800525084	HRSLXBIMMSNIMU-UHFFFAOYSA-N	320.280	1.908	50	20	DDGD	
CCOC(=O)c1cc(C(=O)NNC(=O)CC(C)(C)C)[nH]c1C	295403720	ZSTAKZGZJUWLPU-UHFFFAOYSA-N	309.366	1.697	50	20	DDGD	
CC[C@H](C)[C@@H](CNC(=O)NNc1nc(C)cc(OC)n1)OC	297779816	MAWGXYKAQPVZGT-GXSJLCMTSA-N	311.386	1.481	50	20	DDGD	
Nc1nc(C2CC2)ncc1C(=O)NN=c1cc[nH]cc1Cl	807046394	WAYFOCHQYGDYOD-UHFFFAOYSA-N	304.741	1.163	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H]1CCCN(c2ccccc2)C1=O	292711968	RNTOQXDTHOUJTA-CYBMUJFWSA-N	317.389	1.623	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCc2cnn(C)c2)cc1	298782114	LTPWLEFNMIHTCW-UHFFFAOYSA-N	300.362	1.376	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	293869797	IZTBDFZNSJTBRF-FZMZJTMJSA-N	320.389	1.688	50	20	DDGD	
O=C(NNC(=O)c1cccnc1F)c1cc(Cl)ccc1O	806354981	LWFFTWIOFPWJCM-UHFFFAOYSA-N	309.684	1.655	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=C2CCn3cccc32)n1	818216510	IKKHADNPUVTHFB-UHFFFAOYSA-N	315.402	1.911	50	20	DDGD	
O=C(NNC(=O)C1(c2c(F)cccc2F)CCC1)NC1CC1	817525905	WKBNMIBYJISKIL-UHFFFAOYSA-N	309.316	1.879	50	20	DDGD	
CN(C)C1CCC(NC(=O)NNc2nc3ccccn3n2)CC1	817791563	GFOBLOJDNNYYKF-UHFFFAOYSA-N	317.397	1.228	50	20	DDGD	
Cc1cc(C(=O)NNc2ncncc2F)c2c(C)n[nH]c2n1	817077759	MMBOXZJGDQKPBC-UHFFFAOYSA-N	301.285	1.261	50	20	DDGD	
O=C(NN=Cc1cccc(C(=O)O)c1Cl)c1cnccn1	814794251	CWZJBMVESCXXLQ-UHFFFAOYSA-N	304.693	1.592	50	20	DDGD	
CC(=O)NNC(=O)c1nn(-c2cc(C)cc(F)c2)c2c1CCC2	818999791	XZSQHEHVFMUTAZ-UHFFFAOYSA-N	316.336	1.589	50	20	DDGD	
O=C(Cc1cc(F)c(F)cc1F)NNc1ncncc1F	817077581	JALJULMHTZSUAW-UHFFFAOYSA-N	300.215	1.719	50	20	DDGD	
CC(=NNC(=O)[C@H]1COc2ccccc2O1)c1csc(N)n1	812381307	YLGRKZIVGMXLIM-GFCCVEGCSA-N	318.358	1.406	50	20	DDGD	
CCc1nc(CC(=O)NNC(=S)NCC2CCC2)cs1	727865706	XBBMUMMUISKLAL-UHFFFAOYSA-N	312.464	1.543	50	20	DDGD	
CC(C[C@H]1CCC(=O)N1)=NNC(=O)COc1cc(C)cc(C)c1	811630362	GQLWIECYTVTGOO-CQSZACIVSA-N	317.389	1.843	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(C)n(-c2cc(C)on2)c1C	823841050	BGAKDYQFXBALCO-UHFFFAOYSA-N	306.366	1.350	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1cccc(-c2cn(C)nn2)c1	825699685	WSHQHCQJPCNJOM-UHFFFAOYSA-N	302.338	1.291	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@@H]1c1cccc(F)c1	827290716	YKKCXVSWOGKDRF-LEWSCRJBSA-N	321.352	1.738	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(Oc2cccc(F)c2)cn1	823917408	IIAHCKONDKWMNR-LLVKDONJSA-N	319.336	1.970	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCCCCC(=O)O	821125253	CANRTESKXMWWHV-UHFFFAOYSA-N	308.338	1.586	50	20	DDGD	
Cc1cccc(NNC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)n1	827036696	BJHDLKVQOJXAHG-UHFFFAOYSA-N	303.366	1.222	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@H]3NC(=O)O[C@H]3C)nc12	828357743	BJNKLPLGSUQNEI-XVKPBYJWSA-N	306.347	1.545	50	20	DDGD	
O=C(/C=C\c1ccc[nH]1)NNC(=O)CSc1ccccc1O	491965122	RCGDFJGHHFKUPM-FPLPWBNLSA-N	317.370	1.673	50	20	DDGD	
Nc1ccc(C(=O)NN=Cc2ccc(-c3nn[nH]n3)s2)cc1	822907392	KPEJXXINBMFSMF-UHFFFAOYSA-N	313.346	1.274	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1F)c1ccc(-c2nn[nH]n2)[nH]1	826447496	IEVQZACTVWMSQU-UHFFFAOYSA-N	323.238	1.369	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2nc(-c3ccccc3)no2)n1	726423349	GSWHOCXYYVFSNY-UHFFFAOYSA-N	324.344	1.700	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@@H](c1ccccc1)N1CCSCC1	823964732	DVTMJGAWORJSGR-UKRRQHHQSA-N	323.462	1.120	50	20	DDGD	
C[C@H]1NCC[C@@H]1C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	829522268	AZXRCFLEXRRPGP-KCJUWKMLSA-N	321.768	1.831	50	20	DDGD	
CCOC(=O)NNC(=O)C1CCC(OC[C@@H]2CCCO2)CC1	496862697	FKXNDWHSKHBEIU-BPCQOVAHSA-N	314.382	1.518	50	20	DDGD	
CC(C[C@@H]1CCOC1)=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	820235982	WCCOOUSOYNQFJT-NSHDSACASA-N	314.349	1.399	50	20	DDGD	
C[C@H]1CN(C(=O)c2cccc(B(O)O)c2)CC[C@H]1c1ccccc1	584953613	XCYCTFPSIVRILA-KBXCAEBGSA-N	323.201	1.632	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ncn(Cc2ccccc2)n1	494473480	VDUYFMVZXNDMGP-UHFFFAOYSA-N	304.310	1.109	50	20	DDGD	
CCNC(=O)C(C)(C)CNC(=O)[C@@]1(C)C[C@H]1Br	907083796	DLLJEBUFKOCLJG-PELKAZGASA-N	305.216	1.438	50	20	DDGD	
C[C@@H](CCO)C1(CNC(=O)/C(C#N)=C/c2cnn(C)c2)CCC1	491103904	MDEBZATVVQROEQ-LIOBOASVSA-N	316.405	1.632	50	20	DDGD	
CC(C)(CCc1ccccc1)NC(=O)c1ccc(B(O)O)cc1	584940747	YPWVADXNZWRNGM-UHFFFAOYSA-N	311.190	1.508	50	20	DDGD	
O=C1CC[C@H](CC(=O)NNc2cccc3c2CCCC3)CN1	836778848	LLWMOSDWCISQOU-GFCCVEGCSA-N	301.390	1.925	50	20	DDGD	
CCCOc1cc(C)ccc1CNCc1cccc(B(O)O)c1	585028845	RQFYZJBXGXHNLH-UHFFFAOYSA-N	313.206	1.753	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2ccc(O)cc2)CCN1C(C)C	902786702	JUZQZESDTAUCFX-UHFFFAOYSA-N	303.362	1.541	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)c1ccccn1)c1cccc(Cl)c1	735506392	AHARKWKKAQEIQQ-ZDUSSCGKSA-N	319.748	1.884	50	20	DDGD	
CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)Cc1cccc2ccccc12	900049476	NPUAAJPAPINWKM-MLGOLLRUSA-N	314.385	1.937	50	20	DDGD	
O=C(NC[C@@H]1CCCSC1)NNC(=O)[C@H]1CCCCO1	836460699	YQOSPBZRULXPDD-WDEREUQCSA-N	301.412	1.029	50	20	DDGD	
O=C(O)[C@H]1C[C@H]1C(=O)NNc1ccc(OC(F)(F)F)cc1	833179625	UAUNRKAUZXDERV-BDAKNGLRSA-N	304.224	1.749	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)cc1	908051182	JPKZXBLENFYFBY-WCFLWFBJSA-N	303.318	1.073	50	20	DDGD	
C[C@H]1CCCC(=NNC(=O)CSc2nnc(O)nc2O)C1	730558621	MXXGZILOIFWJLC-ZETCQYMHSA-N	311.367	1.057	50	20	DDGD	
CC[C@@H](C)C(=O)NN=Cc1ccc(OCC(=O)O)c([N+](=O)[O-])c1	731558680	FOYVZHGZDSGXPG-SECBINFHSA-N	323.305	1.554	50	20	DDGD	
CCS[C@H]1CCCC[C@H]1NC(=O)c1ccc(B(O)O)cc1	584961635	YHJNHVLHIUGHIN-KGLIPLIRSA-N	307.224	1.161	50	20	DDGD	
C[C@@H](OC[C@H]1CCCO1)C(=O)NNc1ncc(F)cc1F	837207282	RLZQRUMYMLETOW-PSASIEDQSA-N	301.293	1.387	50	20	DDGD	
CC(C)ONC(=O)NNC(=O)c1cccc(OC(F)F)c1	836276934	RRUVLWBMOSBBBO-UHFFFAOYSA-N	303.265	1.572	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@@H]3C[C@H]3C(=O)O)cc2C1	736804703	HEIVVZFDERGPDS-SZEHBUNVSA-N	322.386	1.355	50	20	DDGD	
Cc1ccc(C2(C(=O)NNC(=O)c3ncon3)CCC2)cc1	832830187	LDAZTSYMUYCQTA-UHFFFAOYSA-N	300.318	1.261	50	20	DDGD	
Cc1cnc(Cl)c(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	831711529	RUFWNWYOTDPKGG-IUCAKERBSA-N	312.757	1.621	50	20	DDGD	
NCC1(C(=O)NNc2nc(-c3cccnc3)no2)CCCC1	831890180	CZHCPBDJRNXLDU-UHFFFAOYSA-N	302.338	1.094	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)CC(F)(F)F)c1cccc(O)c1	732889299	MCOYWCQBMGGEHC-SSDOTTSWSA-N	305.256	1.736	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1C[C@H]2CC[C@@H]1O2	837309432	NGYDAIMWCYVKCC-FCVWVWOISA-N	318.417	1.918	50	20	DDGD	
CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)CC(C)(C)CCl)C1	866985928	NGBZVSSSPLCNID-STQMWFEESA-N	322.902	1.997	50	20	DDGD	
Cc1ccc(-c2n[nH]cc2C=NNC(=O)[C@H]2CCCCO2)o1	834989066	PKGSQOURIADGRS-CYBMUJFWSA-N	302.334	1.997	50	20	DDGD	
CC(C)CC[C@@H]1CCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)C1	834955908	JKOSUCROJAUXRY-VXGBXAGGSA-N	317.455	1.633	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1C[C@H]2CCCCCC[C@@H]21	584960263	OYFTYMQGYLVZSH-DOMZBBRYSA-N	305.158	1.300	50	20	DDGD	
CCN1C[C@@H](NC(=O)NNc2c(F)cccc2Cl)CC1=O	838676647	SIRJDVNCBGQSJG-QMMMGPOBSA-N	314.748	1.726	50	20	DDGD	
C[C@@H]1CC[C@H](CNC(=O)NNC(=O)COCc2ccccc2)O1	838744408	JVPIASNLADTHLU-TZMCWYRMSA-N	321.377	1.101	50	20	DDGD	
CCn1[nH]c(C)nc1=NC(=O)c1c(C)nn(CCCl)c1C	912166127	WKSWIXDHJLJBLC-UHFFFAOYSA-N	310.789	1.333	50	20	DDGD	
Cc1ccc(N(CC(C)C)C(=O)c2ccc(B(O)O)cc2)cc1	584996235	BFQGWCVGHDLZBS-UHFFFAOYSA-N	311.190	1.978	50	20	DDGD	
O=C(NCCOc1cccc(F)c1)NNC(=O)C1CCCC1	916634865	SDDVZWYWUITBAQ-UHFFFAOYSA-N	309.341	1.725	50	20	DDGD	
CC(C)CCOc1ccc(C(=O)N2CC[C@H](B(O)O)C2)cc1	585076059	WAKMNEQBVFKWPH-AWEZNQCLSA-N	305.183	1.800	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cn(-c2ccc(Cl)cc2)nn1	917180647	FWPFIXZQFCRJQH-UHFFFAOYSA-N	321.768	1.728	50	20	DDGD	
CNC(=O)Nc1cccc(C(=O)NN[C@@H](C)C(F)(F)F)c1	912898762	PSCLWEAXHBRMND-ZETCQYMHSA-N	304.272	1.623	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2CCC[C@H](C(=O)O)C2)n1	831972836	RUBWAVNYMQMOEY-UWVGGRQHSA-N	308.338	1.128	50	20	DDGD	
CN(C)Cc1cccc(C(=O)NNC(=O)[C@@H]2CCCCO2)c1	833256579	OYRWTYNRHBCVRE-AWEZNQCLSA-N	305.378	1.078	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCc2cnn(C)c2)cc1F	837051381	GXPPLYFROZQGBN-UHFFFAOYSA-N	320.324	1.422	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1C[C@]12CCc1ccccc12	743340117	ZVPCJXWTIBKNFG-YOEHRIQHSA-N	310.357	1.383	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCC1	910146594	LCQVEZXOOYQEBV-JQWIXIFHSA-N	315.414	1.024	50	20	DDGD	
C[C@@]1(C(=O)NNc2ncnc3[nH]cnc23)CCc2ccccc21	844135397	WAYWGBUZECKEIL-MRXNPFEDSA-N	308.345	1.700	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cn2ccccc2n1	740762804	IVQZEFJGVSCXTB-UHFFFAOYSA-N	301.350	1.089	50	20	DDGD	
CCn1cnnc1CNC(=O)NNc1ccc(F)cc1Cl	914165473	FHVFOEGYUFAZHK-UHFFFAOYSA-N	312.736	1.917	50	20	DDGD	
COc1ccc(OCC(=O)NN=C2C[C@H](C)n3ncnc32)cc1	841606939	NWPZWQPMXRSRSD-JTQLQIEISA-N	315.333	1.151	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)ccc1C	843647201	SCFWPDZPSKNPMI-MFKMUULPSA-N	319.361	1.139	50	20	DDGD	
C=CCOc1ccc(CC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	843659214	IGHKKXIENUYOTA-DOMZBBRYSA-N	318.373	1.366	50	20	DDGD	
O=C(NNC(=O)c1cn2cccnc2n1)c1cccc(Cl)c1	916719518	DJLHEARNXNMUGV-UHFFFAOYSA-N	315.720	1.458	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCCOCc1ccccc1	843646608	JOSXUZJSKXNNRI-UKRRQHHQSA-N	320.389	1.556	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C[C@@H](C)n1ccnc1	844348913	DGWTYUXAEDBUKA-GFCCVEGCSA-N	316.361	1.233	50	20	DDGD	
N[C@H](CNC(=O)NNc1cccc(Br)n1)C1CC1	841965224	FIWHLMHGGMJEIQ-MRVPVSSYSA-N	314.187	1.208	50	20	DDGD	
CCOC(=O)[C@H](NNC(=O)[C@H]1CCO[C@H]1C)c1ccccc1	843289228	OCLVKKIPTXHFKL-FPMFFAJLSA-N	306.362	1.337	50	20	DDGD	
O=C(NNC(=S)NCC1CC1)Nc1ccc2c(c1)OCO2	849258048	UWFNGCPBRSQURK-UHFFFAOYSA-N	308.363	1.326	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@H]2CCCCN2)cc1	841923147	YBHNITGWTNQQMR-CQSZACIVSA-N	304.394	1.335	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccnc(-n2cccn2)c1	748005837	CEJWNDAMAXGSIN-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cnc3ccccc3n2)n1	740107816	NUFZWFVSIGIAGP-UHFFFAOYSA-N	309.333	1.243	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cnn(-c2ccc(F)cc2)c1	842556486	NTYQUBLODYDTJQ-XHDPSFHLSA-N	316.336	1.887	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(O)c2ccccc2c1	843970863	MFGISCZCVJMLQQ-ZWNOBZJWSA-N	314.341	1.731	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H]2CCC(=O)C2)cc1C	843891646	VTNGJGFOOXAQHI-LLVKDONJSA-N	304.346	1.984	50	20	DDGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)c1ncccn1	743332552	FKHYJTJAIZRZOF-UHFFFAOYSA-N	311.128	1.858	50	20	DDGD	
O=C(NN=C1CCN(CC(F)(F)F)CC1)N1CCOCC1	745592046	NVVDZUJAOWODSD-UHFFFAOYSA-N	308.304	1.042	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)C1(Cc2ccc(F)cc2)CCOCC1	910147919	PDWMVDHONRCNLH-CYBMUJFWSA-N	324.396	1.509	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@@H]2CC2(Cl)Cl)n1	915909313	XNRIYFFRXPIAFW-QMMMGPOBSA-N	304.181	1.913	50	20	DDGD	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)NC1CCNCC1	841914673	IELRRIUUYZXFMS-UHFFFAOYSA-N	320.437	1.285	50	20	DDGD	
CNC(=O)NN=Cc1ccc(OC)c2oc(C(=O)OC)cc12	748786975	XVJSJKRHXXWPKK-UHFFFAOYSA-N	305.290	1.491	50	20	DDGD	
CO[C@H](CS(=O)(=O)NNC(=O)C1CCCC1)C1CCCC1	849304378	QZDYMVLURBMPJG-CYBMUJFWSA-N	318.439	1.332	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H](C)CCCN)c(F)c1	841999361	HVSLAEHDKGBYRB-VIFPVBQESA-N	312.345	1.366	50	20	DDGD	
CNC(=O)NNC(=O)[C@H](C)Cc1ccc(OC(F)(F)F)cc1	840284423	WPQQIRFKDPMOIW-MRVPVSSYSA-N	319.283	1.724	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)C	843908583	AYOUEAUEAPEXBK-JTQLQIEISA-N	324.381	1.542	50	20	DDGD	
Cc1cc(C)cc(C=NNC(=O)Cc2cc(O)nc(O)n2)c1	743446033	NGVMHNGQOMWUBJ-UHFFFAOYSA-N	300.318	1.197	50	20	DDGD	
CCOCC(=O)NN=Cc1cccn1CC(=O)OC(C)(C)C	841623811	QUVPBJGSWNYOIA-UHFFFAOYSA-N	309.366	1.316	50	20	DDGD	
O=C(NC[C@H]1CCCCN1)NNC(=O)c1cccc(Cl)c1	841922900	UQZWYIPCBAVIHY-GFCCVEGCSA-N	310.785	1.426	50	20	DDGD	
C[C@@H](CN)NC(=O)NNc1ccc(F)cc1Br	841982509	NJXMZMCLCJETOX-LURJTMIESA-N	305.151	1.562	50	20	DDGD	
CC(C)C(=O)NNC(=O)CSc1nncc2ccccc12	842536328	VHPIFVMRRSRFDY-UHFFFAOYSA-N	304.375	1.525	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CCN(C)[C@@H](C)C2)cc1	741463009	ZJQIGFLNYWJKHZ-LBPRGKRZSA-N	302.378	1.520	50	20	DDGD	
C[C@]1(CCC(=O)NC[C@]2(C)C[C@@H]2Br)CCC(=O)N1	857395482	SCUYBOKJRVRTIK-XDTLVQLUSA-N	317.227	1.725	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NC[C@@]1(C)C[C@H]1Br	857388515	TVHHGBRGDDVSAN-KBVBSXBZSA-N	306.200	1.865	50	20	DDGD	
O=C(COC(=O)[C@H]1C[C@@H]1C1CC1)NNC(=O)c1ccccc1	751749715	ZXKHUIDEGMSAQB-OLZOCXBDSA-N	302.330	1.037	50	20	DDGD	
C[C@H](C(=O)NNc1ncc(Cl)cn1)C(=O)OC(C)(C)C	857358705	GJRTWOXMUGHTBG-SSDOTTSWSA-N	300.746	1.551	50	20	DDGD	
CN1C(=O)CCc2cc(C(=O)NNC(=O)c3ccccn3)ccc21	758039795	MPPBBNLLNOTPAL-UHFFFAOYSA-N	324.340	1.065	50	20	DDGD	
CC(=O)N(C)c1ccc(NC(=O)NNC(=O)CC(C)C)cc1	756262259	QEGRDNORZZSORT-UHFFFAOYSA-N	306.366	1.868	50	20	DDGD	
CCOC(=O)N(C)c1ccc(NC(=O)NNC(=O)COC)cc1	756193412	YABFYIIHQDMLSB-UHFFFAOYSA-N	324.337	1.078	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)c1cc[nH]n1	855357050	YTGMNQLAHDBGAT-RNFRBKRXSA-N	310.766	1.689	50	20	DDGD	
CSSCCNC(=O)N1CC[C@H](CN2CCCC2=O)C1	854050692	JARKNZBUZADTNQ-LLVKDONJSA-N	317.480	1.652	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccc(Cl)cc2O)n1	752794811	YUPQAKAMKMNJMX-UHFFFAOYSA-N	321.720	1.524	50	20	DDGD	
CCc1cc(C(=O)NNC(=S)N[C@H](C)C2CC2)cc(O)n1	855099611	JTGSPEFVBULCHY-MRVPVSSYSA-N	308.407	1.257	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc2c(c(OC)c1)O[C@H](C)C2	921040932	PWECZKMDMSHOPT-SECBINFHSA-N	307.350	1.373	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC(=NNC(=O)c2cc[nH]n2)C1(C)C	853391257	FMMOCFGWGDZPND-UHFFFAOYSA-N	321.381	1.915	50	20	DDGD	
CCC1(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)COC1	755050110	WEXUBSRHAQOILV-JTQLQIEISA-N	310.325	1.167	50	20	DDGD	
NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ncccc1C(F)(F)F	857132537	JGQBLKOKAOSTOZ-RQJHMYQMSA-N	302.256	1.055	50	20	DDGD	
Cc1ccccc1C[C@@H](C)C(=O)NNC(=O)c1c[nH]nc1C	859266096	CZVAJWMIAFSPIT-LLVKDONJSA-N	300.362	1.666	50	20	DDGD	
CCNC(=O)NNC(=O)CCCc1ccc(OC)cc1OC	753969505	BAGPSIRNACBTCE-UHFFFAOYSA-N	309.366	1.377	50	20	DDGD	
Cn1cncc1C=NNC(=O)c1cc(Br)ccc1O	755751245	UIQFHFGHOKOSKZ-UHFFFAOYSA-N	323.150	1.652	50	20	DDGD	
O=C(NC[C@@H]1CCCOC1)NNc1ccc([N+](=O)[O-])cc1F	853465440	HFJHRGWHMDQXIQ-VIFPVBQESA-N	312.301	1.787	50	20	DDGD	
Cn1nncc1NNC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F	857270723	MDXPVVHTRNORSX-SLDGDWOWSA-N	317.315	1.873	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCc2c(cccc2OC)C1	754949434	FTLZMYAOQDTHBO-GFCCVEGCSA-N	320.389	1.708	50	20	DDGD	
CCO[C@H](C(=O)NNc1nc(-c2cccnc2)no1)C1CC1	859315267	JDOCQZMDSDHOJO-NSHDSACASA-N	303.322	1.390	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2cccc3c2OCO3)o1	752361291	DPYLKYJICPPFJL-UHFFFAOYSA-N	317.301	1.461	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NN=Cc1ccns1	853374019	XIIJNCCWKZLOAR-VXGBXAGGSA-N	319.390	1.495	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2nc(-c3ccccc3)no2)co1	759859658	VIROAORQTUEABN-UHFFFAOYSA-N	313.273	1.185	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@H]1CCCC[C@@H]1C	854285993	KVFYKMXZXUGSNL-RYUDHWBXSA-N	301.456	1.687	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1ncoc1C(F)(F)F	857487056	SORMOLXMJDFYQQ-UHFFFAOYSA-N	306.631	1.921	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])n2C)cc1	756244188	ZIKJUTCCTPFBGN-UHFFFAOYSA-N	316.317	1.571	50	20	DDGD	
COC(=O)[C@H]1CN(/C(=C\C#N)c2cccc([N+](=O)[O-])c2)CCO1	750043617	KMXFGKAITHMLMF-MECSIWFOSA-N	317.301	1.333	50	20	DDGD	
COC[C@H]1CCCN1C(=O)NNC(=O)c1ccc(C#N)cc1	752007302	NVFGYCNEOFGNCH-CYBMUJFWSA-N	302.334	1.023	50	20	DDGD	
C[C@H]1CCCN(CCNS(=O)(=O)CC(C)(C)CCl)C1	866498945	GVYXRUPZYTUKFA-LBPRGKRZSA-N	310.891	1.903	50	20	DDGD	
O=C(C[C@@H]1CC(=O)NC1=O)NNc1c(Cl)cccc1Cl	934810805	GQVPBLFYUYCBCO-LURJTMIESA-N	316.144	1.489	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@H]1CCCc2c[nH]nc21	767228154	ZSOWWRPNGOWOGE-ZETCQYMHSA-N	305.260	1.070	50	20	DDGD	
CCc1nc(C(C)C)ccc1C(=O)NNC(=O)COCCOC	869904205	SEXIDHQGRZNCLA-UHFFFAOYSA-N	323.393	1.191	50	20	DDGD	
Cc1c(C(=O)NN[C@@H](C)C(F)(F)F)cnn1-c1ccccn1	862306450	AGWAASKKGBBACX-VIFPVBQESA-N	313.283	1.761	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)CCc2ccccc2)CCO1	769736160	RELCSRQVQKVCKW-JSGCOSHPSA-N	305.378	1.517	50	20	DDGD	
COc1cc(NC(=O)NC[C@@]2(C)C[C@@H]2Br)[nH]n1	861380160	TYMFHTFFESCHTM-QUBYGPBYSA-N	303.160	1.713	50	20	DDGD	
CCc1cccc2c1OCCC2=NNC(=O)[C@@H]1CCC(=O)N1	863150630	XXWXSXYRLGUNDN-ZDUSSCGKSA-N	301.346	1.130	50	20	DDGD	
CCn1ncc(C(=O)NNc2ccc(CC(=O)OC)cc2)c1C	869135329	JOAJMZILIAWCAV-UHFFFAOYSA-N	316.361	1.684	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccncn2)cc1N1CCOCC1	868646332	OJLKRBSGBITCCV-UHFFFAOYSA-N	313.361	1.379	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1F)C(C)C	769968154	ICPPQVQCFWFJTQ-LLVKDONJSA-N	302.733	1.911	50	20	DDGD	
O=C(NNc1cccnn1)c1ccc(CN2CCCCC2)o1	935342149	CDIXQILVIFMPPD-UHFFFAOYSA-N	301.350	1.812	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1cccc(C(F)(F)F)c1	863145911	OCSGYWSISORPQK-NSHDSACASA-N	313.279	1.824	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](Nc2ccccc2)C1	768558228	ZBJRYJVBZBCZTK-UKRRQHHQSA-N	318.421	1.509	50	20	DDGD	
CCOC(=O)c1cnc(C)c(C(=O)NNC(=O)C2CCCC2)c1	767239605	JNLSESKQYPHFDV-UHFFFAOYSA-N	319.361	1.518	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2)cc1F	764738356	AUVLKTQPGWPSHL-UHFFFAOYSA-N	315.304	1.859	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCc3ccc(Cl)cc32)cc1	863891853	DZWKLYOGDMALRX-INIZCTEOSA-N	301.582	1.797	50	20	DDGD	
C/C(=C/C1CCC(C)CC1)C(=O)NNC(=O)[C@H]1CCC(=O)N1	869386073	WMPVIQJSCOARPZ-KQAIKTJISA-N	307.394	1.185	50	20	DDGD	
Cc1ccc(CO[C@@H](C)C(=O)NNC(=O)c2ccnnc2)cc1	862022311	UMVPLTJELMCBPE-LBPRGKRZSA-N	314.345	1.151	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC2(CC1)CNC(=O)O2	867155213	YPIKMUUEHSAMQL-UHFFFAOYSA-N	324.830	1.156	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)c2ccc(CCCCl)cc2)C[C@H]1O	768560294	YAWFTGDKACOASH-BXUZGUMPSA-N	317.838	1.859	50	20	DDGD	
CCC(CC)[C@H](C(=O)NNc1ccc(F)cn1)N1CCOCC1	874650489	ZDHXNGAURPJTHD-OAHLLOKOSA-N	324.400	1.801	50	20	DDGD	
CCOc1ccc(NNC(=O)NCc2cnnn2CC)cc1	875765910	CGPCEEABYRWIDK-UHFFFAOYSA-N	304.354	1.523	50	20	DDGD	
COC[C@H](OC)C(=O)NNC(=S)Nc1ccc(C)cc1C	873760635	UHSKHNRTSPMEBA-LBPRGKRZSA-N	311.407	1.282	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CC2(O)CCC2)c1	874951862	ISXRWGYITHEEJT-UHFFFAOYSA-N	303.387	1.291	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C2(N(C)C)CC2)c1	874952287	PVSVGIXAZBMUTR-UHFFFAOYSA-N	302.403	1.080	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1cnc[nH]1	772991136	RTOIDCSABXUIPA-MRVPVSSYSA-N	308.725	1.292	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)CCCC(F)(F)F	770756056	JLHWSZQWLUDWJX-UHFFFAOYSA-N	311.304	1.171	50	20	DDGD	
NC(=O)c1cccc(C=NNC(=O)c2n[nH]c3c2CCCC3)c1	1116380945	XAHLWGNFSNSFAW-UHFFFAOYSA-N	311.345	1.151	50	20	DDGD	
CCN1CCOC[C@@H]1C(=O)NNc1cc(Cl)ccc1F	871271660	UYMAGNRPXFWBEC-GFCCVEGCSA-N	301.749	1.643	50	20	DDGD	
O=C(NNC(=O)C1(Oc2ccccc2)CC1)[C@@H]1CCCCO1	1118055857	CFAGLEHXNALZTN-ZDUSSCGKSA-N	304.346	1.315	50	20	DDGD	
Cc1ccc(C(=O)NN(C)C(N)=O)cc1NC(=O)NC(C)(C)C	778417252	QKVXMNLHEQHDHC-UHFFFAOYSA-N	321.381	1.570	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)C	887142944	GBZWRZQOLJRIKI-ZDUSSCGKSA-N	324.425	1.060	50	20	DDGD	
O=C(CN1CSCC1=O)NNc1c(F)cc(F)cc1F	885149650	XJQUAIQOPKRDGC-UHFFFAOYSA-N	305.281	1.080	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)Cn1ccc(C)cc1=O	772533784	WEBWTNRTRJDIDG-UHFFFAOYSA-N	315.329	1.087	50	20	DDGD	
CN(C)c1cc(C(=O)NNc2ncccn2)nc2ccccc12	773764952	XBIWQAAOGQWTAG-UHFFFAOYSA-N	308.345	1.848	50	20	DDGD	
CN1CCC[C@@H](CCNC(=O)NNc2ccc(C#N)cn2)C1	889228502	RTPMZXCCYQBNJS-LBPRGKRZSA-N	302.382	1.311	50	20	DDGD	
COC(=O)c1ccn(CC(=O)NNc2ccc(C(C)C)cc2)n1	880230892	QHSSHTNHLBTFKI-UHFFFAOYSA-N	316.361	1.936	50	20	DDGD	
CNC(=O)NNS(=O)(=O)c1ccc(Cl)c(F)c1Cl	788745834	LFRZOGZFXBMRQO-UHFFFAOYSA-N	316.141	1.255	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)NNc1ccc(F)cc1Cl	885136136	VJMVPMWQTIJOMW-UHFFFAOYSA-N	322.789	1.993	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)NC2CCCCC2)nc1	887683962	WXMMKBUGRWAAQX-UHFFFAOYSA-N	320.349	1.145	50	20	DDGD	
CO[C@@]1(C(=O)NNc2ccc(C(F)(F)F)nn2)CCSC1	897198936	LXJVRBGUFLOUIZ-JTQLQIEISA-N	322.312	1.461	50	20	DDGD	
NC(=O)c1ccccc1C=NNC(=O)c1ccc2c(c1)OCO2	788699564	ZSSNZRIMOTWCOP-UHFFFAOYSA-N	311.297	1.278	50	20	DDGD	
N#C[C@@]1(F)CCN(CC(=O)NNC(=O)c2ccccc2Cl)C1	786436742	LSVKQHYLPHFTNL-AWEZNQCLSA-N	324.743	1.039	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1csc(O)n1	792281580	ZMDGHPBWBHUTJE-UHFFFAOYSA-N	305.241	1.414	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2C[C@H](C)S[C@H](C)C2)n1	793220865	SJBXRCPTYSZIIL-PHIMTYICSA-N	308.407	1.570	50	20	DDGD	
COc1cccc(C2=NO[C@H](C(=O)N3CC=C(C#N)CC3)C2)c1	792291966	WLUTWDWDTZUHBY-INIZCTEOSA-N	311.341	1.870	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccc(O)c(O)c2)ccc1C#N	799487372	LOVCJOYFAYKMGV-UHFFFAOYSA-N	311.297	1.742	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cc2ccc(OC)cn2)c1	790016255	WEMOOSMVGJINFQ-UHFFFAOYSA-N	315.329	1.563	50	20	DDGD	
CCN(C)c1ccc(C=NNC(=O)NCC(F)(F)F)cn1	790158169	UULJNQQRWRCPMJ-UHFFFAOYSA-N	303.288	1.733	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2cnn(-c3ccccc3)c2)CC1	790174674	UJIVDAJNNBZLQT-UHFFFAOYSA-N	312.377	1.163	50	20	DDGD	
COc1cccc(NCC(=O)NN=C(C)c2ccnc(O)c2)c1	790287533	MGWUWDHRYADNQD-UHFFFAOYSA-N	314.345	1.748	50	20	DDGD	
CO[C@@H](C(=O)NNc1ccc(C#N)c(Cl)c1)c1cnn(C)c1	798991606	NFNYLRILRNFGON-CYBMUJFWSA-N	319.752	1.776	50	20	DDGD	
CC1=C(C)CN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC1	796591051	ZDBNSLSWEBYJAD-UHFFFAOYSA-N	312.373	1.361	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@H]2[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)n1	792932332	OVVRQRSKVNSRIT-DJANDWOJSA-N	310.401	1.931	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1ccc(C(=O)N(C)C)cc1	792963098	VDWUEBWPDFCXLG-UHFFFAOYSA-N	311.345	1.332	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccccn1)c1ccc(F)cc1F	1318710452	PGOUPQBHOVAQGQ-VIFPVBQESA-N	305.284	1.925	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H](C)[C@@H]2CCCOC2)cc1	1320789280	MZKAFCYJAQQJQZ-WCQYABFASA-N	321.377	1.454	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)NC2CCCC2)C[C@H]1Br	1328589553	CBJQKIYHEWMCIY-SKDRFNHKSA-N	303.200	1.335	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2CCS[C@@H]2C)cc1	1326312891	IBMYHZORNDMPRD-SKDRFNHKSA-N	309.391	1.533	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(CF)cc1	1329489478	NHGKNFOIVATCTA-NSHDSACASA-N	324.352	1.895	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)c1ccc(OC)cc1)c1ccsc1	1256495432	HSWWCVAMXORIKD-ZDUSSCGKSA-N	320.370	1.905	50	20	DDGD	
O=S(=O)(N[C@H](CO)CC(F)F)c1ccc(CCl)cc1	717707980	ZTZDBOMBHZOECK-VIFPVBQESA-N	313.753	1.720	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CN2[C@@H](C)CC[C@H]2C)cc1	1252384551	SJASFFMQMLXNGN-TXEJJXNPSA-N	305.378	1.329	50	20	DDGD	
Cc1cc(NNC(=O)C2C3CC4CC(C3)CC2C4)nc(N)n1	1332380627	HGZQDBUXBMTEGX-UHFFFAOYSA-N	301.394	1.883	50	20	DDGD	
Cc1oc(Br)cc1C(=O)N1CC[C@@H](B(O)O)C1	585065486	YJOCKNRSXDBUSE-SSDOTTSWSA-N	301.933	1.039	50	20	DDGD	
C[C@]1(CNCc2ccc(S(C)(=O)=O)o2)C[C@@H]1Br	1331336360	BDAGKFHEXVSXBR-GXSJLCMTSA-N	322.224	1.946	50	20	DDGD	
O=C1Cc2cc(C(=O)NNC(=O)C3CCC3)c(Cl)cc2N1	1252402801	BJKNMLPXEUWEHD-UHFFFAOYSA-N	307.737	1.396	50	20	DDGD	
C[C@H]1CCN(CCNC(=O)NNC(=O)Cc2ccc(F)cc2)C1	1334336151	MWCNYCDWPSRAIR-LBPRGKRZSA-N	322.384	1.040	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)CN1CCC(CO)CC1	1337253180	LRLNMJGFPPTLLA-UHFFFAOYSA-N	311.813	1.796	50	20	DDGD	
Cc1cccc(C)c1CCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	1261452662	JEKOYRRXRMGGLF-HIFRSBDPSA-N	319.405	1.601	50	20	DDGD	
CO[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)C1	1261233185	JBIHKCBSJIVXSF-GHMZBOCLSA-N	320.393	1.255	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1cc2cc[nH]c2cn1	1346445458	UPERTPXPCNGOLW-LLVKDONJSA-N	303.322	1.285	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C1(Oc2ccccc2)CC1	1261389893	VCLBDIGCUXCEFB-UHFFFAOYSA-N	300.318	1.091	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CC[C@@H](c3ccccn3)C2)cn1	1347925628	GRXOLOCXHUDWGF-VLHYRRCOSA-N	307.357	1.738	50	20	DDGD	
C[C@@H]1CN2CCN1C[C@H]2C(=O)NNc1cc(F)cc(Cl)c1	1347107857	FKUWPRBOLYNXSX-RNCFNFMXSA-N	312.776	1.311	50	20	DDGD	
CCN(CC)CC[C@@H](C)NC(=O)NNC(=O)Cc1ccncc1	1342708466	SMMLCRVKDXKNRP-CYBMUJFWSA-N	321.425	1.075	50	20	DDGD	
C[C@]1(Cn2nnnc2N2CC[C@H](CF)C2)C[C@@H]1Br	1352686121	JOLRBPXRHDNPSP-WCABBAIRSA-N	318.194	1.642	50	20	DDGD	
C[C@@H](NNC(=O)[C@@H]1COc2ccc(F)cc2C1)C(F)(F)F	1351716021	JVXJQFPRMISBJP-APPZFPTMSA-N	306.259	1.948	50	20	DDGD	
CO[C@H](CC(=O)NNc1ccccc1C(=O)O)C(F)(F)F	1606669847	JYEQAXGXLDWQQY-SECBINFHSA-N	306.240	1.795	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cnc3ccccn23)c1F	1602449899	CCVDUDABBMKVEQ-UHFFFAOYSA-N	314.276	1.929	50	20	DDGD	
Cn1cnc2c(C(=O)NNc3ccccc3C(=O)O)ccnc21	1600992097	XFPIEAJXLBGRLD-UHFFFAOYSA-N	311.301	1.423	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCS1)Nc1ccc(C(=O)O)cc1	1608476925	CDDNIHLFEINTEP-SNVBAGLBSA-N	309.347	1.433	50	20	DDGD	
O=C(Cc1ccc(C(=O)O)cc1)NNC(=O)c1ccccc1F	1608359506	LQRCBWRPDXNSAY-UHFFFAOYSA-N	316.288	1.528	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)cc1F)C(=O)c1ccc(O)cc1	1601556193	CRZHPSMNRDVSBB-UHFFFAOYSA-N	318.260	1.556	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2C[C@@H](C(=O)O)C2)cc1C	1607807678	SBOXTIJIWVIFHP-PHIMTYICSA-N	321.402	1.732	50	20	DDGD	
O=C(NN=Cc1cc(C(=O)O)no1)Nc1ccc2c(c1)OCO2	1601553188	WXSWFMDNTDQRNE-UHFFFAOYSA-N	318.245	1.257	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@H](C)C1CCOCC1	1610286206	SMOWKPKHAPIILU-SNVBAGLBSA-N	322.361	1.899	50	20	DDGD	
O=C(NN=C1C[C@H]2C[C@H](C(=O)O)[C@H]1C2)c1cccc([N+](=O)[O-])c1	1610699272	PUUUOQNGSYGVFW-FXAINCCUSA-N	317.301	1.811	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)NN=C1CCC[C@H]1F	1549903655	BQSMOEPRVMFNMN-MISXGVKJSA-N	308.357	1.882	50	20	DDGD	
Cc1cc(Br)cnc1NNC(=O)[C@H](N)C(C)(C)C	1574127912	OECNAZMVHSQEJD-VIFPVBQESA-N	315.215	1.969	50	20	DDGD	
C[C@@]1(C(=O)NNc2ccc(OC(F)F)cc2)C[C@@H](N)CCO1	1576351117	WOMROJCMHQINKJ-XPTSAGLGSA-N	315.320	1.628	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H](O)C(C)C)C2	1845162819	PKASQSVFGWAAMQ-VXGBXAGGSA-N	316.829	1.224	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1cc(F)cc(-c2nn[nH]n2)c1	1589084671	WDMGYAFQXPKUQI-UHFFFAOYSA-N	321.316	1.205	50	20	DDGD	
C=CCC(=O)N1CC2(CCCN2C(=O)[C@@H](Cl)COC)C1	1846364665	DGJWRCVDSWCBRB-NSHDSACASA-N	300.786	1.020	50	20	DDGD	
O=C([C@@H](F)Br)N1CC2(CCCN2C(=O)C2CC2)C1	1846761741	YPLPBRMRCZFGBH-SECBINFHSA-N	319.174	1.290	50	20	DDGD	
Cc1[nH]c(C(=O)O)c(C)c1C(=O)NNC(=O)Nc1ccccc1	1599957543	XYYBPAPEVQCURF-UHFFFAOYSA-N	316.317	1.796	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)C[C@H](C)CC(=O)O)n1	1596293144	ZEZRPZWZVQJYQW-JTQLQIEISA-N	309.370	1.267	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N(CC(=O)O)CC(C)(C)C)cn1	1594537423	ITFWHFSDVDWNDO-LFYBBSHMSA-N	304.350	1.286	50	20	DDGD	
CSc1c(C(=O)NNc2ccccc2C(=O)O)cnn1C	1599804066	DMGWXFHBFGRLIP-UHFFFAOYSA-N	306.347	1.597	50	20	DDGD	
O=C(O)CCC(=O)NNc1cccc(F)c1Br	1594996606	AKQYSZVCSLISNQ-UHFFFAOYSA-N	305.103	1.896	50	20	DDGD	
O=C(O)c1cnc2c(c1)C(=NNC(=O)C1CCOCC1)CCC2	1776103178	VZJSKVLPOXLXKX-UHFFFAOYSA-N	317.345	1.363	50	20	DDGD	
CC(C)(C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Cl)C2	1792705372	ACSGYONHOHICET-LMLFDSFASA-N	315.776	1.709	50	20	DDGD	
COc1ccc(CC(=O)NNC(=S)Nc2ccccn2)cc1	161776218	WTIIYGQRLJYGIN-UHFFFAOYSA-N	316.386	1.651	50	20	DDGD	
C[C@H]1CC(NC(=O)NNC(=O)Cc2ccccc2F)C[C@H](C)O1	162157833	TUIJIQJOAPQUKX-QWRGUYRKSA-N	323.368	1.655	50	20	DDGD	
CCCc1nccn1CC(=O)NNC(=O)c1ccc(C)cc1	158115794	DQZLMIRGEXDOFG-UHFFFAOYSA-N	300.362	1.605	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1cccc(COCC2CC2)c1	158518768	HDWUDXKBTOKOGT-UHFFFAOYSA-N	320.393	1.328	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1n[nH]c(CCC)c1[N+](=O)[O-]	157200066	BSBUNILKNNUPBN-UHFFFAOYSA-N	312.330	1.015	50	20	DDGD	
O=C(/C=C/c1ccc2c(c1)OCO2)NNC(=O)c1ccccn1	8197979	ZJHNKFKHHNGFEK-FNORWQNLSA-N	311.297	1.285	50	20	DDGD	
O=CNc1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cc1	159372342	DWUROZLWOGRQCR-UHFFFAOYSA-N	300.274	1.920	50	20	DDGD	
O=C1CC2(CCN(CCI)CC2)CN1	373787762	OJYPHFPJGXQNGK-UHFFFAOYSA-N	308.163	1.024	50	20	DDGD	
C[C@H](C[C@@H](C)NS(=O)(=O)CCl)NC(=O)OC(C)(C)C	827792696	NLVLPGNHTNKRJA-RKDXNWHRSA-N	314.835	1.794	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNC(=O)c1ccc(F)cc1	8205313	APLWFEGZDOICSJ-UHFFFAOYSA-N	321.333	1.078	50	20	DDGD	
CC(C)CCNC(=O)NNC(=O)Cc1cn2ccccc2n1	102637876	UDIDRSHYDFXRGT-UHFFFAOYSA-N	303.366	1.253	50	20	DDGD	
O=C(CSc1ccc(F)cc1)NNC(=O)Cc1cccnc1	103425387	OGKGXNPCNVXPJE-UHFFFAOYSA-N	319.361	1.703	50	20	DDGD	
O=C1CCc2cc(C(=O)NNC(=O)c3ccccc3)ccc2N1	24537039	ZUYIDKAAGMWXPR-UHFFFAOYSA-N	309.325	1.646	50	20	DDGD	
CCO[C@H](CC)C(=O)NNC(=O)c1cccc(OC(F)F)c1	103040969	LCFMZMUGADOBIT-LLVKDONJSA-N	316.304	1.864	50	20	DDGD	
O=S(=O)(NC[C@H]1CCCN1)c1ccc(CCCCl)cc1	178916757	ULVPZERHRLZZON-CYBMUJFWSA-N	316.854	1.888	50	20	DDGD	
CC[C@@H](C)NC(=O)CCNC(=O)NNC(=O)CC(C)(C)C	103180497	ZNHAWAMDLOFEJA-SNVBAGLBSA-N	300.403	1.058	50	20	DDGD	
C[C@H]1CCC[C@@H](OCC(=O)NNC(=O)c2cccc(C#N)c2)C1	112581360	ZFZRQVXTVXFKLR-SWLSCSKDSA-N	315.373	1.915	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCc1cccnc1	67457133	FTEYASUQSZCUKI-UHFFFAOYSA-N	314.345	1.277	50	20	DDGD	
O=C(NCC(=O)N1CCCC1)NNc1cc(F)c(F)c(F)c1	175227575	SOHVRWZBGGMDJG-UHFFFAOYSA-N	316.283	1.352	50	20	DDGD	
COCCC(=O)NNC(=O)CSc1ccc(Cl)cc1	171350611	IYCYQOKDFMVHED-UHFFFAOYSA-N	302.783	1.616	50	20	DDGD	
CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NNc1ncccn1	69455949	IPIGQRUNRHORFU-VQNWOSHQSA-N	321.406	1.178	50	20	DDGD	
C[C@@H]1CCN(C(=O)NNC(=O)COCc2ccccc2)[C@@H]1C	177002410	TZRHSYUPQNLPBL-CHWSQXEVSA-N	305.378	1.674	50	20	DDGD	
Cc1ccc(C)c(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c1	67508855	MMONOFPKTFQALI-CYBMUJFWSA-N	310.419	1.409	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H]2C[C@@H]2C2CC2)c1	177610048	KULDXEKIMVPICK-CABCVRRESA-N	302.374	1.876	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2csc(C3CC3)n2)nc1	179779496	CUUUCFXLNSWVNW-UHFFFAOYSA-N	318.358	1.959	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCC1CCOCC1	171841322	JMADATUMSXHQSB-UHFFFAOYSA-N	309.341	1.125	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cc2c(cc1F)NC(=O)CC2	121705398	UYGFSWGSVIIDFP-UHFFFAOYSA-N	321.352	1.908	50	20	DDGD	
C[C@H](Cc1ccc(Cl)cc1)N(C)CC(=O)NNC(=O)C1CC1	121028432	PEUVTONYEFSOGG-LLVKDONJSA-N	323.824	1.760	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1csc([N+](=O)[O-])c1	120242073	FHGJBDFOBFUCGE-UHFFFAOYSA-N	321.380	1.402	50	20	DDGD	
CCc1cc(C(=O)NNC(=S)NCCc2cccs2)[nH]n1	120013035	YFGDMKWSIFVUHC-UHFFFAOYSA-N	323.447	1.385	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)Nc1ccc(F)nc1	183241948	ROAQFFLTCOIODA-UHFFFAOYSA-N	306.272	1.755	50	20	DDGD	
N#C/C=C(\c1ccccc1)N1CCN(CC(=O)N2CCCC2)CC1	78668965	BOTCYLADLYWKKS-QGMBQPNBSA-N	324.428	1.791	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N[C@H](CO)c2ccccc2)cc1	180861129	FPQFVIMRFSWWIL-OAHLLOKOSA-N	324.340	1.236	50	20	DDGD	
C[C@@H]1C[C@@H](C)CN(CCCNC(=O)NNC(=O)c2ccc[nH]2)C1	127292359	FFSMCTHZRICEPJ-CHWSQXEVSA-N	321.425	1.327	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)c2cccc(C#N)c2)c1	127079075	HGAGIEQDTWDNGU-UHFFFAOYSA-N	322.324	1.266	50	20	DDGD	
O=C(CCc1cccc(F)c1F)NNC(=O)Cc1cc[nH]n1	186130507	ROMVHGCJYDAWHP-UHFFFAOYSA-N	308.288	1.011	50	20	DDGD	
Cc1cccc(C[C@@H](CO)NC(=O)NNC(=O)C(C)(C)C)c1	188086575	RGVJMKZBUCNLLS-ZDUSSCGKSA-N	307.394	1.275	50	20	DDGD	
CN(NC(=O)C1(c2cccc(Br)c2)CC1)C(N)=O	181068177	JZHFFFQPFQAJGL-UHFFFAOYSA-N	312.167	1.522	50	20	DDGD	
CCCOc1ccccc1NC(=O)NNC(=O)c1cc(C)n[nH]1	183008163	WZKMHTCLKANHLV-UHFFFAOYSA-N	317.349	1.973	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1ccccc1F)N1CCCCCC1	74592234	LEPORKGETCHTGZ-ZDUSSCGKSA-N	321.396	1.780	50	20	DDGD	
O=C(NNc1ccc(F)cc1)[C@H]1CC(=O)N(CC(F)(F)F)C1	78472957	JUWUZVFSKDKFSN-QMMMGPOBSA-N	319.258	1.680	50	20	DDGD	
O=C(NNC(=O)c1cccc2ncccc12)c1ccncc1F	133105336	PCAWEDLRESOJBV-UHFFFAOYSA-N	310.288	1.844	50	20	DDGD	
C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)N(C)C	186278539	USFVJXMYZNWKOV-VIFPVBQESA-N	311.769	1.851	50	20	DDGD	
COc1cccc(C(=O)NNc2nnc(C3CC3)s2)c1O	184514869	CEGNGRWRMNSIQM-UHFFFAOYSA-N	306.347	1.887	50	20	DDGD	
CCn1c(NNC(=O)CCCC(C)=O)nc2ccccc2c1=O	193570802	CYMPMFHQCJZRBJ-UHFFFAOYSA-N	316.361	1.619	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1cn(C)nc1-c1cccs1	195318459	UBQOYNOFVIVRHL-YRNVUSSQSA-N	322.415	1.904	50	20	DDGD	
CCCNC(=O)/C(C#N)=C\c1ccc(N(C)CCOC)nc1	190253037	YTZHCKQBYLZCAI-UVTDQMKNSA-N	302.378	1.597	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(CCCCNC(=O)NNc2ncccn2)C1	46761483	JFWXXEWBOBYBRH-OKILXGFUSA-N	320.441	1.861	50	20	DDGD	
CC(C)n1cc(C(=O)NNC(=O)COCc2ccccc2)cn1	191727115	FUQWGTCMAVKQRE-UHFFFAOYSA-N	316.361	1.442	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2ccncc2)c2ccccc2n1	81027409	QNLRJPWYIPUSJW-UHFFFAOYSA-N	320.352	1.942	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1n[nH]c2ccccc12	94120862	BGOSNBWXCZQJAK-UHFFFAOYSA-N	309.420	1.035	50	20	DDGD	
C[C@H]1CCCN(C[C@H](C)NC(=O)NNC(=O)OC(C)(C)C)C1	249788703	SXVAVZUUNJSHRP-RYUDHWBXSA-N	314.430	1.846	50	20	DDGD	
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NNC(=O)c1ccccc1	249752046	BGWPKIZQRASPRY-KGLIPLIRSA-N	318.421	1.751	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)/C=C\c1ccco1	254980776	BZCPISJBEBKHDT-HJWRWDBZSA-N	300.314	1.692	50	20	DDGD	
CC(C)(C)c1ncsc1C(=O)NNC(=O)c1ccccn1	266927655	LEAFTWQCOHGVFT-UHFFFAOYSA-N	304.375	1.910	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)N[C@@H]1CCN2CCCC[C@H]12	266687346	DPUYYDPZJSXCLW-VXGBXAGGSA-N	309.801	1.988	50	20	DDGD	
O=C(NNS(=O)(=O)c1cccc(Cl)c1F)C1CCC1	264720954	HVIWZGSVLUKQTP-UHFFFAOYSA-N	306.746	1.589	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)[C@@H]1CSCCS1	267478907	RFSWRKWGZXCBFY-VIFPVBQESA-N	323.403	1.423	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NC1CC(C)C1	268082747	YNLGLKACEWTPOS-UHFFFAOYSA-N	305.378	1.757	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2CCCO[C@H]2CC(C)C)n1	275047131	UQRAMYBLXLDXFX-RYUDHWBXSA-N	323.397	1.705	50	20	DDGD	
CC[C@@H]1C[C@H](CC(=O)NNc2ccc(C(=O)OC)cn2)CCO1	272776051	HZTFKMBGPFHMSX-DGCLKSJQSA-N	321.377	1.907	50	20	DDGD	
C[C@H](CCC(C)(C)C)C(=O)NNC(=O)C(=O)Nc1ccccn1	273475970	YUHZKHRBKDOVSO-LLVKDONJSA-N	320.393	1.630	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CC(F)(F)F)cc1C	274036477	DZDLCJKGDWVVJX-UHFFFAOYSA-N	317.267	1.342	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNC(=O)C2CCC2)c(C)c1	274011627	ADNLPVYWZLDYAT-UHFFFAOYSA-N	319.361	1.280	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(=O)Nc1cccc(SC)c1	276118760	HLFITTBWIWSLIP-UHFFFAOYSA-N	310.379	1.040	50	20	DDGD	
CC(C)COc1ncc(C(=O)NNC(=O)C2CC2)cc1Cl	272995827	RPTDFCCRZSAOJU-UHFFFAOYSA-N	311.769	1.941	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1CCC(=O)c2ccccc21	287899086	QWAIQZFMXOOWKJ-GFCCVEGCSA-N	312.329	1.689	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1cnnn1C	281372230	AAGHIOIVKVWNGZ-UHFFFAOYSA-N	318.406	1.317	50	20	DDGD	
C[C@@H](CF)NC(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	288428071	SOEKCJABQYSTIP-DTWKUNHWSA-N	317.748	1.796	50	20	DDGD	
Cc1c([C@H]2OCC[C@@H]2C(=O)NNc2cccc(F)n2)cnn1C	286536991	IMUYCFFTECTIHV-HZMBPMFUSA-N	319.340	1.484	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1cc(C2CC2)no1	281745718	QSDRHKCNNYCQPG-UHFFFAOYSA-N	303.293	1.695	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H]1O[C@@H](C)C[C@H]1C	282586219	GLTIAJCNEHKLNB-GBIKHYSHSA-N	323.418	1.826	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2CCn3c(cnc3C)C2)n1	289303978	AJXHGLQIZGACPG-GFCCVEGCSA-N	300.366	1.304	50	20	DDGD	
CC[S@](=O)c1ccccc1C(=O)NNC(=O)[C@@H]1CCCCO1	295631434	SNWVOGMJSXXYPF-YTEVENLXSA-N	324.402	1.144	50	20	DDGD	
NC(=O)NCCCCCC(=O)NNc1nccnc1C1CCC1	807778721	CINYXZVLHXMJGY-UHFFFAOYSA-N	320.397	1.416	50	20	DDGD	
O=C(C[C@H]1CCCC(=O)N1)NNc1ccc2c(=O)[nH]ccc2c1	809804675	WWZUWIWMIWHIQE-LLVKDONJSA-N	314.345	1.030	50	20	DDGD	
CSSCCNC(=O)N1CCN(CCOC(C)C)CC1	807232664	HZTOYEDYSZFAKK-UHFFFAOYSA-N	321.512	1.750	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccccc1NC(=O)C1CC1	294088099	IJCBYDXDJUTVMM-UHFFFAOYSA-N	301.346	1.596	50	20	DDGD	
O=C(NCC(Cl)Cl)[C@@H]1CC[C@H](C(F)(F)F)NC1=O	808131096	PICKNLLUGAIQCE-CRCLSJGQSA-N	307.099	1.363	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1c(F)cccc1F	291779181	CJSVMPKUOZSUBU-KCJUWKMLSA-N	313.304	1.535	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CC3(CCOC3)C2)cc(C#N)n1C	294170045	AUCXTPGMWQQIIA-LHHJGKSTSA-N	310.357	1.361	50	20	DDGD	
Cc1ccc(F)c(OCC(=O)NNC(=O)[C@@H]2CCCCO2)c1	295561033	MSVHNBNVTSZYII-LBPRGKRZSA-N	310.325	1.229	50	20	DDGD	
CCOC(=O)COCCOC(=O)/C(C#N)=C\c1ccc(O)cc1	805485079	DRBMZELPRKMYSM-LCYFTJDESA-N	319.313	1.422	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1OC	292484851	CDSGWBWUIOLBJB-CABZTGNLSA-N	323.349	1.424	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)NCc2ccc([C@H](C)O)cc2)O1	297518995	CNYLFLDMMMZIHU-MJVIPROJSA-N	321.377	1.138	50	20	DDGD	
N#C[C@@]1(C(=O)NNC(=O)NCc2ccco2)CC12CCCC2	294790764	SPCADSIHDMXCIQ-OAHLLOKOSA-N	302.334	1.584	50	20	DDGD	
CC(F)(F)C(=O)NNc1c(F)cc(C(=O)NC2CC2)cc1F	808465317	XDJSQZRDDZBYAY-UHFFFAOYSA-N	319.258	1.955	50	20	DDGD	
Cn1nccc1COCC(=O)NNc1ccc(C#N)c(Cl)c1	803103239	PZDOGCFEFSHHFJ-UHFFFAOYSA-N	319.752	1.605	50	20	DDGD	
O=C(NNC(=O)c1cccc[n+]1[O-])Nc1ccc(Cl)cc1	802021534	RUWDGGOROKKAEG-UHFFFAOYSA-N	306.709	1.440	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)N[C@@H](C)CCN(C)C)c1	297221425	MTNSNKTWKVUOBY-NSHDSACASA-N	307.398	1.611	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)c1cccc(F)c1	294260171	ONUTWFFUGWSSNA-SIWBASNISA-N	306.337	1.944	50	20	DDGD	
O=C(NCCc1ccc(F)cc1)NNC(=O)[C@H]1CCCCO1	296204120	OOJASMXNBVGAAC-CYBMUJFWSA-N	309.341	1.268	50	20	DDGD	
Cc1ccc(C)c(NC(=O)C(=O)NNc2ncccc2F)c1	807300371	KSAANQUFGQCZSL-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
COc1ccc(CCNC(=O)NNC(=O)[C@H]2CCCCO2)cc1	296302928	VZUCABOUMHQEPV-CQSZACIVSA-N	321.377	1.137	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)C(F)(F)C1(O)CCCC1	803111601	VVJTZNZVECLZNL-UHFFFAOYSA-N	305.712	1.540	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cnc2c(F)cccc2c1	292042391	AQLLBFXALAAZAC-LBPRGKRZSA-N	303.293	1.314	50	20	DDGD	
CN1C(=O)CC[C@@H]1C(=O)NNc1ccc(-c2ccccc2)nn1	807032006	QJJCIVQZQMETGR-CYBMUJFWSA-N	311.345	1.208	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)[C@H](C)CN2CCCCC2)nn1	807957820	ZMUQUWOICHJJKR-CYBMUJFWSA-N	306.414	1.431	50	20	DDGD	
CCn1nc(C)c(CNC(=O)c2c(C)nn(CCCl)c2C)n1	819596163	NNIZVJKIGJZULW-UHFFFAOYSA-N	324.816	1.589	50	20	DDGD	
O=C(O)COc1ccc(C=NNC(=O)CC2CC2)cc1[N+](=O)[O-]	814986595	BBDIRWPMVOTWLE-UHFFFAOYSA-N	321.289	1.308	50	20	DDGD	
O=C(NCCCN1CCCCCC1=O)NNc1ncncc1F	814269306	VDMMCTZWXBHQRW-UHFFFAOYSA-N	324.360	1.035	50	20	DDGD	
CC(C)(O)CN1CCC(=NNC(=O)NCc2ccco2)CC1	814217962	BLZWIFXHHOPYST-UHFFFAOYSA-N	308.382	1.302	50	20	DDGD	
Cn1cc(Br)c(C(=O)NNc2cccc(F)n2)n1	816654776	XUNRTDRXUMOMNN-UHFFFAOYSA-N	314.118	1.474	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2sccc2C#N)nc1	815590688	FROXSODDLDODOY-UHFFFAOYSA-N	301.331	1.405	50	20	DDGD	
CC(C)Oc1cccc(CC(=O)NNC(=O)c2ccnnc2)c1	817693324	JVOPPFXNLWKBPZ-UHFFFAOYSA-N	314.345	1.268	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(C)c1ccccc1C#N	814854696	UIRMVQHTZPAGIP-UHFFFAOYSA-N	300.362	1.703	50	20	DDGD	
CCOc1ccc(NNC(=O)c2cn(C)c(C)cc2=O)cc1	817925515	HKIUJYQYBZJEAQ-UHFFFAOYSA-N	301.346	1.849	50	20	DDGD	
Cc1nc(SCC(=O)NNC(=O)c2ccccc2)[nH]c1C	814779061	DAONZOHQSLVQNS-UHFFFAOYSA-N	304.375	1.580	50	20	DDGD	
O=C(NNc1cccc(F)c1)c1cc(Cn2cccn2)on1	815851521	KBLNBVDIERMHTR-UHFFFAOYSA-N	301.281	1.815	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCCc1cn[nH]c1	811932413	RKJMATFTLPPSAV-UHFFFAOYSA-N	302.338	1.297	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNc2ncncc2Cl)nc1	816339544	CRZXTFJAVYLXCB-UHFFFAOYSA-N	321.724	1.459	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2C)[nH]1	816663077	IZQDIAYNMCOFPO-UHFFFAOYSA-N	318.289	1.775	50	20	DDGD	
COc1ccc(C(=O)NNc2ncncc2F)c(OC)c1OC	817077147	AWDDNXJSHXDOME-UHFFFAOYSA-N	322.296	1.398	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)Cc1ccc(Cl)cc1)C1CCC1	813367834	NGAPMQLVAZAYOD-HNNXBMFYSA-N	310.781	1.581	50	20	DDGD	
O=C(NNC(=S)NCCc1ccccn1)NC1CCCCC1	726121809	MQDVVZFHOQDCCV-UHFFFAOYSA-N	321.450	1.635	50	20	DDGD	
CCN(CCO)NC(=O)c1cccc(Oc2cnccn2)c1	823860398	RASYVAHJBZFABR-UHFFFAOYSA-N	302.334	1.228	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3nn[nH]n3)cc2)n1	826363394	KMQUFNOKTRNMGN-XYOKQWHBSA-N	320.316	1.146	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cnc(-c2ccccc2F)s1	823964845	FDGUJKXVJVXHRF-SECBINFHSA-N	309.366	1.907	50	20	DDGD	
O=S(=O)(CCl)NCCNc1ncnc2sccc12	829979637	ITCOEEQTICKTDV-UHFFFAOYSA-N	306.800	1.219	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)CC1	822205390	UCLGBIBXUUGDCP-JTQLQIEISA-N	322.336	1.500	50	20	DDGD	
CCCN(NC(=O)C[C@@H]1COC(=O)C1)C(=O)OC(C)(C)C	496433292	JPOBAUGEGMXVIX-JTQLQIEISA-N	300.355	1.618	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cc1c[nH]c2ccccc12	822205318	RRQLQKWEPWXQGI-HIFRSBDPSA-N	313.357	1.449	50	20	DDGD	
N#C/C(=C/c1cccc(OCC(=O)O)c1)C(=O)N1CCCC1	490662719	DIRFSWBONXLJHR-JYRVWZFOSA-N	300.314	1.679	50	20	DDGD	
C[C@@H](OCc1ccc(F)cc1)C(=O)NNC(=O)NCC1CC1	822781856	KOLFEDLLGXKBKE-SNVBAGLBSA-N	309.341	1.471	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNc2nc3ccccn3n2)cc1	492758950	AFHSAIJCISLPEO-YFHOEESVSA-N	309.329	1.894	50	20	DDGD	
CCOC1(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CCCC1	826867778	RBTGHPVNULQENF-NWDGAFQWSA-N	313.398	1.091	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNc2cccc(-c3nn[nH]n3)c2)CCO1	824892475	IUDWDZSPVVJMKC-ONGXEEELSA-N	317.353	1.060	50	20	DDGD	
CCN(CCO)NC(=O)c1csc(-c2ccc(OC)cc2)n1	823838374	PCSKDIDMPTZXST-UHFFFAOYSA-N	321.402	1.778	50	20	DDGD	
CC[C@H](OC1CCCC1)c1nc(-c2cccc(B(O)O)c2)no1	585052860	ZOYAPUFKIAOPMT-AWEZNQCLSA-N	316.166	1.827	50	20	DDGD	
OB(O)c1cccc(CNC[C@H]2CCC[C@H](C(F)(F)F)C2)c1	585025948	HCPDZSJMCRPNAX-AAEUAGOBSA-N	315.144	1.825	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCCCC(=O)OC(C)(C)C)cn1	491162926	UPHJCMHLCAOBBV-MDWZMJQESA-N	318.377	1.565	50	20	DDGD	
CN1Cc2ccccc2[C@@H](NC(=O)/C(C#N)=C\c2cnn(C)c2)C1	827783553	MYLIWWGISGMZAK-OLMDTSMNSA-N	321.384	1.630	50	20	DDGD	
CC(C)(C)c1nc(CNC(=O)c2cccc(B(O)O)c2)cs1	584939094	RGKCTJPEHPAODG-UHFFFAOYSA-N	318.207	1.050	50	20	DDGD	
C[C@]1(C(=O)NNc2ccccc2Br)CCNC1=O	821147603	IPAVIXVTGPKYHP-LBPRGKRZSA-N	312.167	1.418	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl	823798922	JCDMEXFJHTXNPR-UHFFFAOYSA-N	300.702	1.521	50	20	DDGD	
CC(C)C[C@H](CNC(=O)/C(C#N)=C/c1cnn(C)c1)N(C)C	491014132	WEHNESVLTDCXPK-KEQVLUGWSA-N	303.410	1.420	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(Br)cc1C#N	823918617	ZADSULGTKFNPFI-QMMMGPOBSA-N	312.167	1.278	50	20	DDGD	
O=C(COc1ccc2ccc(=O)oc2c1)NNC(=O)C1CCC1	732142794	KEFWTBPEOLHLQI-UHFFFAOYSA-N	316.313	1.119	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21	828346890	CRDAMZPXRSZXMO-DDTOSNHZSA-N	321.352	1.724	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=C1CCOc2c(F)cc(F)cc21	735411451	DKLLMIBGNPYKDF-UHFFFAOYSA-N	306.272	1.913	50	20	DDGD	
C[C@H](NCc1cccc(B(O)O)c1)[C@@H]1CCCN(C2CCC2)C1	585034295	HQLGVVZWDDKYCZ-GOEBONIOSA-N	316.254	1.109	50	20	DDGD	
CCCCNC(=O)NN=C(C)c1ccc(-c2nn[nH]n2)cc1F	825291541	SPUWJCGQHVVSIO-UHFFFAOYSA-N	319.344	1.829	50	20	DDGD	
CC(C)[C@H](c1ccccc1)N(C)C(=O)c1cccc(B(O)O)c1	584944060	IOBOETUDVAUVHC-QGZVFWFLSA-N	311.190	1.836	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NN=C1CCS(=O)(=O)C1	732927378	KOCMNEPRWLGRRK-UHFFFAOYSA-N	315.782	1.314	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNC(=O)c2cccc(C)n2)cc1	491985317	UXJGZBGIIBVITH-DHZHZOJOSA-N	311.341	1.873	50	20	DDGD	
C[C@H]1C[C@H]1c1ccc(CNC(=O)c2ccc(B(O)O)c(F)c2)o1	584931615	BRSDUEOMSDDURK-JOYOIKCWSA-N	317.125	1.152	50	20	DDGD	
COC(C)(C)CNC(=O)NNc1cccc(Br)n1	838493465	CWSSIPQYIPANSG-UHFFFAOYSA-N	317.187	1.895	50	20	DDGD	
CCC(CC)c1cc(CNC(=O)c2cccc(B(O)O)c2)on1	584951172	ISXRTSIKJXJYTJ-UHFFFAOYSA-N	316.166	1.188	50	20	DDGD	
C#CCN(Cc1ccc(F)cc1)[C@H](C)C(=O)NNC(=O)CC	491712411	ZMZOJVZXPCKIBE-GFCCVEGCSA-N	305.353	1.207	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)[C@H](C)Oc1ccccc1F	732527835	KXWVZNBOBGKMJR-JTQLQIEISA-N	316.354	1.130	50	20	DDGD	
O=C(NNc1ccc(Br)cc1F)[C@@H](O)C1CC1	830782236	QJGNVUIOGTWZHR-JTQLQIEISA-N	303.131	1.802	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)[C@H]1CCCC[C@@H]1C	834960571	UXNCOLVRUOEQNU-CABZTGNLSA-N	306.366	1.749	50	20	DDGD	
C[C@@H](C[C@@H](C)N)NC(=O)NNC(=O)c1cn(C)c2ccccc12	831203795	ZTCXBYGQZUMPEH-MNOVXSKESA-N	317.393	1.248	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCS[C@@H]2CCCC[C@@H]21	584961227	RRSVRFWEEMMMKV-UONOGXRCSA-N	323.198	1.006	50	20	DDGD	
Cc1nn(C(C)C)c(C)c1NC(=O)c1ccc(B(O)O)cc1	584932511	NKEHOGWQAPCYLL-UHFFFAOYSA-N	301.155	1.013	50	20	DDGD	
O=C(NC1CCC2(CCCC2)CC1)c1ccc(B(O)O)cc1	585005418	AKWMJTUHYJPQNP-UHFFFAOYSA-N	301.195	1.599	50	20	DDGD	
CC(C)n1ccc(CNC(=O)NNC(=O)c2ccccc2F)n1	739052502	SRAFMDYBEWJTON-UHFFFAOYSA-N	319.340	1.747	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C2=CC[C@@H](C)CC2)cc1	836236608	XWNWTCCGWLVNFD-LLVKDONJSA-N	315.373	1.827	50	20	DDGD	
O=C(NCB(O)O)[C@H](Sc1ccccc1F)c1ccccc1	585059292	IBAFONTWTQUXSN-CQSZACIVSA-N	319.166	1.787	50	20	DDGD	
O=C(NN=C1C[C@]2(CCOC2)Oc2ccccc21)c1cn[nH]c1	901267742	NTQFIZOOVASYKW-INIZCTEOSA-N	312.329	1.485	50	20	DDGD	
CC(C)(C)c1ccc(OCCNCc2ccc(B(O)O)o2)cc1	585014584	WOEHAOJSJQSBNG-UHFFFAOYSA-N	317.194	1.426	50	20	DDGD	
Cc1cc([C@@H](NCc2ccc(B(O)O)o2)C2CC2)ccc1F	585032722	ZBZQVHVMKRRTCK-INIZCTEOSA-N	303.142	1.648	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)OCCNC(=O)C2CC2)c1	908788567	CHDVRRZRZGFFEH-NTEUORMPSA-N	314.341	1.672	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC[C@@H]2C[C@H]2C(C)C)cc1	838680877	FRUYNCKUUVVKHQ-ZFWWWQNUSA-N	319.405	1.996	50	20	DDGD	
CC[C@H]1C[C@@H](C)CN1CC(=O)NNC(=O)c1ccc(C#N)cc1	839504994	NPKKQECPNXXXSB-DOMZBBRYSA-N	314.389	1.440	50	20	DDGD	
COC(=O)N1CCC[C@H](NC(=O)[C@]2(C)C[C@H]2Br)C1	906511274	ULZUPYRXHWHOGX-YGOYTEALSA-N	319.199	1.507	50	20	DDGD	
CCCCc1ccc(NC(=O)C(=O)NNc2ccncn2)cc1	835543146	LJIPSKJIQUAALN-UHFFFAOYSA-N	313.361	1.901	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCc2ccc(F)cc21	732200238	SNXNJVFTKMSDJI-LLVKDONJSA-N	307.369	1.770	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN(C)C2CC(C)(C)C2)n1	839192870	UIBPLCPDNIDJEE-UHFFFAOYSA-N	324.450	1.262	50	20	DDGD	
COCc1cccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1	831203063	PYWCPOAEGNQJEZ-ZWNOBZJWSA-N	307.350	1.411	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)NNc1ccc(C(=O)OC)cc1F	837206990	JDLQZVQIZAPFBL-QMMMGPOBSA-N	312.297	1.255	50	20	DDGD	
CC[C@@H](C)C(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc21	915977688	XZRAKPYHAJBVPO-SECBINFHSA-N	312.366	1.870	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NN=C1CCS(=O)(=O)C1	912788752	MLBVDTFBUPSRON-UHFFFAOYSA-N	324.446	1.884	50	20	DDGD	
Cn1ncc2c1CCCN(C(=O)[C@]1(C)C[C@@H]1Br)C2	910402035	OOONGMYGMWWCSY-WCQYABFASA-N	312.211	1.868	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccccc1OC(F)F	748253533	OSJMSEOUICOROC-SNVBAGLBSA-N	316.304	1.790	50	20	DDGD	
O=C(NNc1ccccc1)[C@]1(O)CCN(Cc2ccccc2)C1	747989108	OHUCIBMQRHPBMP-SFHVURJKSA-N	311.385	1.767	50	20	DDGD	
O=C(NNC(=O)c1ncccn1)c1cccc(C(F)(F)F)c1	743338953	SOTKFUOMJFMUNG-UHFFFAOYSA-N	310.235	1.570	50	20	DDGD	
O=C(CCN1CCCCCC1)NN=Cc1ccc(O)cc1O	916354947	DXQYVQOAPCDQGN-UHFFFAOYSA-N	305.378	1.814	50	20	DDGD	
CCOc1ccc(S(=O)(=O)NCCCSC#N)cn1	916985692	OFAGFFPWCYRGSE-UHFFFAOYSA-N	301.393	1.363	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NCC1(C#N)CCC1)c1ccccc1	842198528	KIYWKGOKYIFPLE-UHFFFAOYSA-N	314.389	1.988	50	20	DDGD	
CCN[C@H](C)CNC(=O)NNC(=O)[C@@H](CC)c1ccccc1	841984675	GBXJWIIUKOZKDS-OCCSQVGLSA-N	306.410	1.509	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)CNCCO2	841330390	DCHUGHJSJASWHA-SNVBAGLBSA-N	306.366	1.367	50	20	DDGD	
Cc1nc2n(n1)C[C@H](NC(=O)NNc1cc(F)ccc1F)CC2	916379114	XCGIMDPUKCCPPU-SNVBAGLBSA-N	322.319	1.506	50	20	DDGD	
Cn1c(=O)oc2cc(/C=C(\C#N)S(=O)(=O)NC3CC3)ccc21	844552787	ZEZAXEHCMRYASQ-IZZDOVSWSA-N	319.342	1.078	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)Cc2ccc(Cl)cc2)CCN1	841984666	CRPGOYMGJIHNTJ-GWCFXTLKSA-N	324.812	1.353	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=C1CC[C@@H](C(=O)O)c2ccccc21	842561578	RTEQLKMHBJYLHL-MISXGVKJSA-N	316.357	1.894	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CNc1cccc(Cl)c1	843971140	AZNRPYJAEDJBAV-CABZTGNLSA-N	311.769	1.324	50	20	DDGD	
O=C(Cc1cc2ccccc2o1)NNC(=O)N1CCOCC1	745996144	OTBDRHNXQVVGRV-UHFFFAOYSA-N	303.318	1.048	50	20	DDGD	
CC(F)(F)CCNC(=O)NNc1ncc(Br)cn1	847380179	ZLKADHXAAVVZKD-UHFFFAOYSA-N	324.129	1.911	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CCCN2C(=O)C2CC2)cc1	844133394	XQQXBHVJCZACIS-AWEZNQCLSA-N	303.362	1.539	50	20	DDGD	
CCC(=NNC(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CCOC1	741838204	QNZSVGGWMQVJNG-NSHDSACASA-N	321.333	1.892	50	20	DDGD	
COCCOC[C@H](C)NC(=O)NNC(=O)Nc1ccccc1C	745864578	SQHSJIAAJUYTRB-LBPRGKRZSA-N	324.381	1.382	50	20	DDGD	
CCOCc1cc(C=NNC(=O)c2ncccn2)ccc1OC	841662048	KFFVYOUGZMUIDG-UHFFFAOYSA-N	314.345	1.786	50	20	DDGD	
O=C(NN=C1Cc2ccc(Cl)cc2C1)C(=O)N1CCCC1	743436273	IKKXKNABEMWTOR-UHFFFAOYSA-N	305.765	1.533	50	20	DDGD	
CC(C)NCCCNC(=O)NNC(=O)c1c[nH]c2ccccc12	841933625	GGOPPDZYAHZUNL-UHFFFAOYSA-N	317.393	1.500	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCc1noc2ccccc12	847474343	YVRIMMLXVXXTQC-UHFFFAOYSA-N	316.239	1.611	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@@H](O)C(C)C)cc1	841375711	KEZWZIMTAAHZHV-LBPRGKRZSA-N	311.407	1.420	50	20	DDGD	
Cn1c(=NNC(=O)[C@H]2CC23CCOCC3)sc2ccccc21	748528015	XQKSLNSPHCYKCZ-LLVKDONJSA-N	317.414	1.988	50	20	DDGD	
Cc1ccccc1C1(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)CC1	843649890	YDFIUTHQKYYXAR-STQMWFEESA-N	302.374	1.599	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cccc(OCCOC)c1	929812798	MNJVADPRYOFGRH-UHFFFAOYSA-N	319.361	1.668	50	20	DDGD	
Cn1ccnc(NNC(=O)[C@@H]2CCSc3ccccc32)c1=O	747938085	PHQDIPBJGSJXKG-LLVKDONJSA-N	316.386	1.503	50	20	DDGD	
Cc1nc(-c2ccc(C(=O)NNC(=O)NC(C)C)cc2)n[nH]1	746176778	UIUQWXZKDGSZKV-UHFFFAOYSA-N	302.338	1.133	50	20	DDGD	
C#CCOc1ccc(Br)cc1C=NNC(=O)NC	920377230	QESUZOCVLIZGNM-UHFFFAOYSA-N	310.151	1.724	50	20	DDGD	
CC(=O)Nc1ccc(CC(=O)NNC(=O)c2ccncc2)cc1	921139386	LOULPUSFGAWODJ-UHFFFAOYSA-N	312.329	1.044	50	20	DDGD	
COC(=O)COc1c(C)cc(C=NNC(=O)C(C)C)cc1C	746486182	YDKNZNHHWFTUGJ-UHFFFAOYSA-N	306.362	1.961	50	20	DDGD	
C=CCOc1ccc(C(=O)NNc2nccn(C)c2=O)cc1	747941572	HZLMXVNVJFYFIM-UHFFFAOYSA-N	300.318	1.102	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccccc1Cl)CC(F)F	744398843	RRIBCSWJTCKYCT-UHFFFAOYSA-N	305.712	1.298	50	20	DDGD	
NC1(C(=O)NNc2ncc(Br)cn2)CCCCC1	848436601	XSCBZIGJDUVAOC-UHFFFAOYSA-N	314.187	1.344	50	20	DDGD	
CC(C)(Nc1ccccc1)C(=O)NNC(=O)C1CCOCC1	923054700	RMIHHRBSNDAWNB-UHFFFAOYSA-N	305.378	1.451	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1ccc2c(c1)CCS2(=O)=O	757525905	IMFCCJIQPBTDTC-JLHYYAGUSA-N	320.370	1.077	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cnn([C@@H](C)CC)c1C1CC1	757802060	ZBNUEBXIVYKNOL-JTQLQIEISA-N	323.397	1.921	50	20	DDGD	
C[S@@](=O)CCNC(=O)NNc1cc(Cl)ccc1Cl	753002716	KBIOZUHKSJPPOO-GOSISDBHSA-N	310.206	1.998	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NNc1cccc(C(=O)OC)c1C	855625313	CZZIBXCVKJJHDV-PKNBQFBNSA-N	303.318	1.669	50	20	DDGD	
CCc1ccccc1-n1cc(O)c(C(=O)NNc2cnccn2)n1	752803291	DGIKQBOZWDGSCJ-UHFFFAOYSA-N	324.344	1.687	50	20	DDGD	
Cn1ncc2cc(C(=O)NNc3cccnc3Cl)cnc21	754487127	AVJUBXBXTAYWLV-UHFFFAOYSA-N	302.725	1.774	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ncccc2Cl)c(O)n1	755350285	YTCDEPNIFIAZBQ-UHFFFAOYSA-N	321.724	1.226	50	20	DDGD	
CC(=O)N1CC[C@@H](NC(=O)NNc2c(C)cc(C)cc2C)C1	856971103	CDGLHHQWAXEWJF-CQSZACIVSA-N	304.394	1.859	50	20	DDGD	
CNc1ccc(C(F)(F)F)cc1C(=O)NN(C)CCOC	854410123	RQBPQEVFVUATSQ-UHFFFAOYSA-N	305.300	1.970	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCOc2ccccc21)OCC(F)(F)F	856023875	YWDIDXJPGWDERT-VIFPVBQESA-N	318.251	1.872	50	20	DDGD	
CN(C)C1(CNC(=O)NNC(=O)c2cccc(Cl)c2)CC1	923014595	FCBOLLDLYPBSEI-UHFFFAOYSA-N	310.785	1.378	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@@H](c1ncc(C)s1)C1CC1	754413168	FMBZWTXCUDVUBG-BXKDBHETSA-N	310.423	1.438	50	20	DDGD	
CC(F)(F)CC(=O)NNC(=O)c1nnc(O)c2ccccc12	757792732	SMKFJFMLRIYTFW-UHFFFAOYSA-N	310.260	1.142	50	20	DDGD	
CC1(C)C(=NNC(=O)C(=O)Nc2ccccn2)[C@@H]2CCCO[C@@H]21	758380537	GCOAFNPRHSANKA-GWCFXTLKSA-N	316.361	1.327	50	20	DDGD	
N#Cc1ccccc1C=NNC(=O)Cc1cc(O)nc(S)n1	755618875	SSPCKGSHNWNZFC-UHFFFAOYSA-N	313.342	1.035	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NN=Cc1nccs1	853372963	GFNBVHSPBDRYSM-ZYHUDNBSSA-N	319.390	1.495	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H](C)C[C@H]1CCOC1	759751695	WREDAHZQZFMKGG-VXGBXAGGSA-N	321.377	1.454	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cccc(C)c1O	854280243	RYFWMMRVFCQMQH-UHFFFAOYSA-N	311.407	1.188	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1	854923530	YYXKYTJOAKXJMS-VIFPVBQESA-N	322.217	1.494	50	20	DDGD	
C[C@H]1CC(=NNC(=O)Cc2cn3ccccc3n2)CN1C1CC1	753959497	JURGPWHRZMQCBO-LBPRGKRZSA-N	311.389	1.606	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cccc(OC)c1OC(F)F	854926957	QXJSNULPHCSEQS-UHFFFAOYSA-N	319.333	1.378	50	20	DDGD	
COCC(C)(C)C=NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C	853377533	WYOQSPKTRSZMPW-TZMCWYRMSA-N	322.409	1.662	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)C2(OC)CCCC2)c1	754165958	ZNWZZDFINYZCOZ-UHFFFAOYSA-N	322.361	1.424	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)c1ncoc1-c1ccon1	857533667	HTWQAJNZAZFGRC-UHFFFAOYSA-N	307.216	1.760	50	20	DDGD	
CN(C(=O)/C(C#N)=C/c1cnn(C)c1)[C@@H](CO)Cc1ccccc1	855136141	MAMFMSVOKXZICO-QLGNDSFESA-N	324.384	1.389	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=C2CN(C)C[C@H]2C)o1	752163957	GPMUOQQJVPESPP-GFCCVEGCSA-N	306.410	1.789	50	20	DDGD	
Cc1nc(CC(C)C)sc1C(=O)NNC(=O)c1cc[nH]n1	855358568	OLINISFICSVVOK-UHFFFAOYSA-N	307.379	1.448	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)CC2(C)CC2)nc2ccccc21	757744492	PRTJJCCUDOYRQF-UHFFFAOYSA-N	300.362	1.453	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccnn1)c1ccc([S@](C)=O)cc1	756722206	IDXLPGKLFMHICV-STFLBKPXSA-N	319.390	1.601	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)OCC(F)(F)F	856023408	IGVIVOLTPLRZRC-BDAKNGLRSA-N	312.288	1.901	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)COc1ccccc1O)c1ccco1	859270979	ZINRJUSQZSVJGS-LLVKDONJSA-N	318.329	1.705	50	20	DDGD	
O=C(NN=C1CS(=O)(=O)Cc2ccccc21)[C@H]1CCCCO1	853353098	QEAAFJXBNROTRZ-CQSZACIVSA-N	322.386	1.004	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855832140	VHDYCNYCZCNNTB-SNVBAGLBSA-N	317.455	1.218	50	20	DDGD	
CCO[C@H]1C[C@H](NC(=O)NNC(=O)c2cn[nH]c2)C1(CC)CC	858269780	MMUAQSOYRNCHID-RYUDHWBXSA-N	323.397	1.338	50	20	DDGD	
C[C@]1(CNC(=O)NCC2(CC(N)=O)CC2)C[C@@H]1Br	856864882	NCGXGOPLBYPWEI-GZMMTYOYSA-N	318.215	1.115	50	20	DDGD	
Cc1ccc2c(c1C)C(=NNC(=O)[C@@H]1CCC(=O)N1)CCO2	863149164	STTYMDAJCYCHNI-LBPRGKRZSA-N	301.346	1.185	50	20	DDGD	
C[C@@H](Oc1ccc(C=O)cc1)C(=O)NN[C@H](C)C(F)(F)F	862319531	GQIMDLFLWKMUOP-RKDXNWHRSA-N	304.268	1.838	50	20	DDGD	
O=C(NNC(=O)c1ncc(C(F)(F)F)cc1Cl)NC1CC1	930721496	ZCDVQUHGPGHHKM-UHFFFAOYSA-N	322.674	1.860	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CN(C)C2CCC2)c(F)c1	863924267	XJWCMCDHFKMYAU-UHFFFAOYSA-N	309.341	1.540	50	20	DDGD	
CCOC(=O)N1CSC[C@@H]1C(=O)NNc1cccc(C#N)c1	935016299	CRJJTMKMGVKWLF-GFCCVEGCSA-N	320.374	1.533	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C2CCCOc3cc(F)ccc32)N1	863147570	IZGYCXCXINBKAS-GFCCVEGCSA-N	305.309	1.097	50	20	DDGD	
CCCN(CCC)C(=O)CCC(=O)NN[C@H](C)C(F)(F)F	862312249	HQBZAMQSSVYZKN-SNVBAGLBSA-N	311.348	1.987	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)Cc2ccc(F)cc2)CCC1=O	763270677	SXSLMZQWCXTMJG-ZYHUDNBSSA-N	306.337	1.521	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2conc2C)c1C	864492902	SDNXOSFVRPLACW-LBPRGKRZSA-N	317.345	1.828	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CCCCc2cnn[nH]2)c1	862478085	XJESBCXZRKLUOJ-UHFFFAOYSA-N	307.379	1.349	50	20	DDGD	
C[C@@H](NNC(=O)Cc1nnc(O)c2ccccc12)C(F)(F)F	862305011	VYLRPXKQCHPBMB-SSDOTTSWSA-N	314.267	1.450	50	20	DDGD	
COc1ccc2c(c1)CC[C@H](NCc1cccc(B(O)O)c1)C2	863890640	BBNRLKUCWQMHGG-KRWDZBQOSA-N	311.190	1.022	50	20	DDGD	
COCn1ccc(C(=O)N(C)NC(=O)OCc2ccccc2)n1	862289047	LCHIKBLRWAWUJG-UHFFFAOYSA-N	318.333	1.400	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)C(F)(F)C1(O)CCC1	863097083	CGEQXCMGNTYXDR-UHFFFAOYSA-N	312.185	1.355	50	20	DDGD	
C[C@@H](NNC(=O)/C=C/CN(C)CC(F)(F)F)C(F)(F)F	862320265	HKBCZRBKKJQXMY-KGGZQZJCSA-N	307.238	1.608	50	20	DDGD	
CCC(=O)c1ccc(C(=O)NNC(=O)c2cc(C)[nH]n2)cc1	768277443	GLLDVHXVLPZQJF-UHFFFAOYSA-N	300.318	1.386	50	20	DDGD	
CC(C)COC[C@H](O)CNS(=O)(=O)CC(C)(C)CCl	866832642	FKTBNKQWCNIRMP-LLVKDONJSA-N	315.863	1.204	50	20	DDGD	
COc1ccc2c(c1)[C@@H](C(=O)NNC(=O)c1c[nH]nc1C)CC2	761731674	ULUYGKPFPAMYGS-LBPRGKRZSA-N	314.345	1.218	50	20	DDGD	
COC[C@H](C)CC(=O)NNC(=O)CSc1ccccc1O	764046052	YHXVJGVZAAXNRQ-SNVBAGLBSA-N	312.391	1.304	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NOCC(F)(F)F	765988633	CACHGZIVFBCTMQ-UHFFFAOYSA-N	306.244	1.825	50	20	DDGD	
COc1ccc([C@@H](NC(=O)NNC(=O)CC(C)C)C2CC2)cn1	875931816	LFHMVTOBONXGLJ-HNNXBMFYSA-N	320.393	1.918	50	20	DDGD	
C/C=C/C(=O)NNC(=O)c1cc(-c2ccccc2OC)[nH]n1	763153321	LCMLRTDQTVIFIN-ZZXKWVIFSA-N	300.318	1.422	50	20	DDGD	
CC(=O)NC1CCC(NC(=O)NNc2cccc(C)n2)CC1	875205472	GEZKFTUTFWPQIU-UHFFFAOYSA-N	305.382	1.463	50	20	DDGD	
CC(C)n1ncc2ccc(NC(=O)NNC(=O)CCO)cc21	1116611118	SZAACTVWPQWBLM-UHFFFAOYSA-N	305.338	1.152	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)OCC(F)(F)F)ccc1C#N	1118790887	PGBZJKYRCULQFT-UHFFFAOYSA-N	302.212	1.195	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)Cn2nc(C)cc2C)cc1F	873803689	PLDMMIBFDBSVGZ-UHFFFAOYSA-N	319.340	1.142	50	20	DDGD	
CC(C)c1nsc(NC(=O)/C(C#N)=C/c2cnn(C)c2)n1	874693570	IVSLLTOTODABOQ-ONNFQVAWSA-N	302.363	1.941	50	20	DDGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CC[C@H](n2cncn2)C1	776879573	TZLIDJCVLIJGBI-SMDZSXGUSA-N	310.317	1.998	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)N[C@@H]1CCCOCC1	776635492	JSMGMECCEUDFBV-LLVKDONJSA-N	323.418	1.750	50	20	DDGD	
CC(C)(C)Oc1cccc(C=NNC(=O)[C@H]2CCC(=O)N2)c1	872392489	MXWZZSGKQDRHJR-CYBMUJFWSA-N	303.362	1.593	50	20	DDGD	
CN(C)C(=O)NNC(=O)Cn1nc(C(F)F)cc1C1CC1	874249163	OEFHIULUSGZQGX-UHFFFAOYSA-N	301.297	1.001	50	20	DDGD	
C#CC[C@@H](CCOC)NC(=O)NNC(=O)c1ccc(Cl)cc1	875922511	XWZOHDLTQSOAPP-ZDUSSCGKSA-N	323.780	1.712	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)Nc1ccncn1	770762855	HCZMSTPPJLTSRU-VIFPVBQESA-N	319.296	1.236	50	20	DDGD	
O=C(CCCn1c(=O)oc2ccccc21)NNc1ccccn1	777472960	PPHZZCDMIXKULL-UHFFFAOYSA-N	312.329	1.913	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](C)[C@@H]1CCCOC1	779967471	JBPSAMRJEJHKIG-CHWSQXEVSA-N	305.378	1.754	50	20	DDGD	
CON(C)C(=O)[C@@H](C)NC(=O)NNc1c(F)cccc1Cl	875909658	OMHHVRCYKAKZLM-SSDOTTSWSA-N	318.736	1.514	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)Cn1cncn1	873855184	NWOHAFVADAOIOY-UHFFFAOYSA-N	318.406	1.167	50	20	DDGD	
COC(=O)CCc1ccc(NC(=O)NNc2ncccn2)cc1	775604441	RMFKZMFSWZDSHG-UHFFFAOYSA-N	315.333	1.731	50	20	DDGD	
O=C(NNc1cncc(Br)c1)c1cnsn1	1116390235	ZXVFOXFOIYJYEF-UHFFFAOYSA-N	300.141	1.453	50	20	DDGD	
CSCCNC(=S)NNC(=O)CO[C@@H]1CCCC[C@@H]1C	770246454	SDNZQPWXMNECTC-WDEREUQCSA-N	319.496	1.440	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C1=COCC1	772968295	QLQYVJFYPBAPMX-VIFPVBQESA-N	310.737	1.559	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCCCO2)nc2ccccc12	1117807207	LMYPJSILMHPOQT-OAHLLOKOSA-N	313.357	1.873	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)Nc1cccc2cc[nH]c12	776064064	MYLFSIBRBKNWGC-SNVBAGLBSA-N	320.349	1.372	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)CO)c(Br)c1	776779220	AXPFHPDFYCBRKT-UHFFFAOYSA-N	301.140	1.290	50	20	DDGD	
N#CCCN(Cc1ccccn1)S(=O)(=O)CCCCl	881864264	ZRFVHKHPCCGBPV-UHFFFAOYSA-N	301.799	1.756	50	20	DDGD	
COC[C@H](C)C(C)=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1	777880208	QVSWZFVNYLTXLT-RFGFWPKPSA-N	313.442	1.506	50	20	DDGD	
C[C@@H]1CC[C@@H](C(=O)NNC(=O)Cc2nc3ccccc3n2C)C1	776336521	JGHWMXMVLHAZRZ-VXGBXAGGSA-N	314.389	1.699	50	20	DDGD	
CCn1cc(C(=O)NNc2ccnc(Br)c2)cn1	771533818	VLLHSEBCWKUVOL-UHFFFAOYSA-N	310.155	1.817	50	20	DDGD	
COc1cc(C(=O)OC[C@@]2(C)C[C@@H]2Br)nn1C	1123038084	GQBSQENFLVGCIY-GZMMTYOYSA-N	303.156	1.759	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)c1cccc(C)c1	772143675	RDJLAROJAANSLH-VXGBXAGGSA-N	306.362	1.588	50	20	DDGD	
Cn1ccc(NNC(=O)c2ccc(CN3CCCCC3)o2)n1	1120072429	VRFQGOZGVOOPBU-UHFFFAOYSA-N	303.366	1.756	50	20	DDGD	
COC(=O)[C@@H]1CN(C(=O)c2cccc(CCl)c2)C[C@H](C)O1	1120665094	YVNRHIZXCUJJFO-GWCFXTLKSA-N	311.765	1.828	50	20	DDGD	
CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NC(=O)NNc1ccc(C#N)cn1	888382572	ALYHMWSNNJKKNU-BNOWGMLFSA-N	315.377	1.783	50	20	DDGD	
O=C(Cc1c[nH]c2ncccc12)NNc1ncncc1Cl	781824488	RYWASQINNCZFOZ-UHFFFAOYSA-N	302.725	1.692	50	20	DDGD	
CC(C)(C)n1nnc(CC(=O)NNc2cc(F)ccc2F)n1	885141512	GKEAUGMDNRSFEF-UHFFFAOYSA-N	310.308	1.392	50	20	DDGD	
NC(=O)[C@@H](Cc1ccc(F)cc1)NNC(=O)c1ccccc1	784061582	QFMWQNMJXYPQIL-CQSZACIVSA-N	301.321	1.157	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cnn(CCCC)c1CC	887148387	ZULNKWGIMWMJTB-UHFFFAOYSA-N	304.394	1.810	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21	883540133	VCTXBJMFCBWTMN-AEGPPILISA-N	323.356	1.149	50	20	DDGD	
Cc1nn(C)c(C)c1NC(=O)[C@H](C)OC(=O)/C(C#N)=C/C1CC1	786667885	BONLFAOQVYLWMX-DELQEKLWSA-N	316.361	1.767	50	20	DDGD	
CCOC(=O)C1(CC(=O)NNc2nccnc2Cl)CCC1	789907208	MSRKSBMHPVBHCW-UHFFFAOYSA-N	312.757	1.697	50	20	DDGD	
CCn1c(NNC(=O)[C@@H](F)C(C)C)nc2ccccc2c1=O	784338070	SPVYUDHRJLMYKO-LBPRGKRZSA-N	306.341	1.854	50	20	DDGD	
O=C(Cc1ccncc1)NN=CC1CCC2(CC1)OCCO2	788716212	RWNBFINYQCSIGH-UHFFFAOYSA-N	303.362	1.659	50	20	DDGD	
C[C@H](OC(=O)[C@H](Br)C(C)(C)C)c1nnnn1C	787791722	ULJSFWJQJJWSKP-BQBZGAKWSA-N	305.176	1.624	50	20	DDGD	
N#CCc1ccccc1CC(=O)NNc1nc2ccccn2n1	791257373	ILDXKEUFBOLFQN-UHFFFAOYSA-N	306.329	1.481	50	20	DDGD	
CN(CCC(=O)NNC(=S)NC(C)(C)C)C1CCCCC1	899996327	SHHGDWYTINHVMR-UHFFFAOYSA-N	314.499	1.935	50	20	DDGD	
CC[C@H](C)n1ncc(NC(=O)C(=O)NNC(=O)[C@H](C)CC)c1C	792269861	WVSRZEKDGJUHEZ-ZJUUUORDSA-N	323.397	1.295	50	20	DDGD	
CS(=O)(=O)N(CCN1CC=C(C#N)CC1)Cc1ccccc1	792268285	KZIPWGSREUXINI-UHFFFAOYSA-N	319.430	1.604	50	20	DDGD	
CC1(C)C(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)C1(C)C	793478409	OXDICOLKWCCKAP-AWEZNQCLSA-N	317.455	1.050	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1cn(C(C)(C)C)nn1	790150529	ZOHMGMXWHHJPJJ-ZDUSSCGKSA-N	320.441	1.605	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H](C)CCC(=O)OC(C)C)n1	793150428	JSNTUJLMOBJPOM-NSHDSACASA-N	324.381	1.837	50	20	DDGD	
C[C@@H]1CC[C@H](CNC(=O)NNc2nc(O)c3cnn(C)c3n2)C1	793458106	GGLSWUFTUWDTPX-BDAKNGLRSA-N	319.369	1.131	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CCCC1CCOCC1	798737727	YUYKJEUWOAGMLV-NSHDSACASA-N	314.382	1.072	50	20	DDGD	
O=C(NCC1CCS(=O)(=O)CC1)c1cccc(CCl)c1	1337200777	LEPBONFYUZDXAF-UHFFFAOYSA-N	315.822	1.980	50	20	DDGD	
COCCOCC(C)=NNC(=O)c1cncn1-c1ccccc1	1318674351	NRLPLNMFSDSYOK-UHFFFAOYSA-N	316.361	1.641	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)N[C@H]2CC[C@H](O)CC2)nn1	1325512255	WYDJEYIHJDYJSO-XYPYZODXSA-N	307.398	1.704	50	20	DDGD	
COc1cccc(O)c1C=NNC(=O)c1n[nH]c2c1CCCC2	1321482624	AIXWSYVQVTZATC-UHFFFAOYSA-N	314.345	1.767	50	20	DDGD	
CCCN(CC)C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1328963669	OZDRJVYKHYPISD-CABZTGNLSA-N	305.216	1.535	50	20	DDGD	
COC(=O)c1cc(C(=O)NNC(=O)c2ccccc2Cl)on1	1323621014	KAQZZVXGMZKECJ-UHFFFAOYSA-N	323.692	1.189	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCc1nnc2n1CCC2	1252389328	CPLIYBMCEZOWAJ-UHFFFAOYSA-N	322.800	1.206	50	20	DDGD	
C[C@@]1(CNC(=O)N2C[C@@H]3CC[C@H](C2)N3)C[C@@H]1Br	1332552253	XFPHVRNBEWJBMH-WYFGTUCQSA-N	302.216	1.306	50	20	DDGD	
C[C@@H]1SCCN(CC(=O)NNC(=O)c2cccs2)[C@H]1C	777589672	UXYVUUIVTMHSKS-UWVGGRQHSA-N	313.448	1.335	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@H](CO)c1cc(F)ccc1F	1263082179	YYDLWPUKPKCTBO-LLVKDONJSA-N	315.320	1.375	50	20	DDGD	
CCN1CCOC[C@@H]1C(=O)OC[C@]1(C)C[C@@H]1Br	1348960681	FHHRBYNUANNGTB-SCVCMEIPSA-N	306.200	1.424	50	20	DDGD	
CCN(CC)CC[C@H](C)NC(=O)NNC(=O)CC(F)(F)F	1348612991	ZHAIYLFXRGCNQZ-VIFPVBQESA-N	312.336	1.390	50	20	DDGD	
O=C(NCCOCC(F)F)NNc1cccc(C(=O)O)c1	1601505123	AZLXNTFFGJXREF-UHFFFAOYSA-N	303.265	1.293	50	20	DDGD	
O=C(CCC(F)F)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	1609521745	JMSKZCBXZOYCQD-UHFFFAOYSA-N	317.687	1.404	50	20	DDGD	
Cc1cccc(NNC(=O)Nc2cccc(CC(=O)O)n2)n1	1607858817	ZERVCCNAMJWJFS-UHFFFAOYSA-N	301.306	1.561	50	20	DDGD	
NC(=O)NCCCCCC(=O)NNc1ccccc1C(=O)O	1601156490	SWTXNAMWJORQKA-UHFFFAOYSA-N	308.338	1.057	50	20	DDGD	
C/C=C/COC(=O)/C(C#N)=C\c1cc(-c2nn[nH]n2)n(C)c1C	1603965178	URSLIHNIQJSXLJ-MDFVMQOBSA-N	312.333	1.540	50	20	DDGD	
O=C(CCc1cnccn1)NNc1ccc(C(=O)O)c(Cl)c1	1601293703	FVYYHGDYGQTJOM-UHFFFAOYSA-N	320.736	1.904	50	20	DDGD	
COC[C@@H](NC(=O)CCCC[C@@H]1CCSS1)C(=O)O	1610246714	UFTDAJAYLDNIDY-NXEZZACHSA-N	307.437	1.916	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=COCC1)[C@@H](F)Cl	1803287863	YYLCESPHYJYEPJ-WRWGMCAJSA-N	316.760	1.463	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1ccc(F)cc1	1549315382	MXJUZFIAWATJPC-HOCLYGCPSA-N	319.380	1.919	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)C2CCNCC2)ccc(F)c1F	1579542314	SFYVSVIOAJHEJK-UHFFFAOYSA-N	312.320	1.426	50	20	DDGD	
CC(C)[C@@H](CNC(=O)NNc1cc(Cl)ccn1)C(=O)O	1588825020	JMKMDXYKDBCDII-SECBINFHSA-N	300.746	1.718	50	20	DDGD	
O=C(NNc1ncccc1Cl)[C@@H]1CCN[C@@H]([C@H]2CCCO2)C1	1580743291	XTIRZCLVRJUBLJ-RAIGVLPGSA-N	324.812	1.725	50	20	DDGD	
O=C([C@@H]1C[C@H]1C1CC1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843361345	AVZBIBMZWNMGCV-TUAOUCFPSA-N	314.788	1.770	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@@]1(C(=O)O)CC=CCC1	1588976233	UPYPAWSVDXBKJF-OAHLLOKOSA-N	304.350	1.854	50	20	DDGD	
CCC/C(C)=C\C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1590543162	GEAJMZXHFRSYJQ-KTKRTIGZSA-N	314.349	1.374	50	20	DDGD	
C[C@@]1(CNC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)C[C@@H]1Br	1594017176	MNWQYZIJMQJMFP-HHFMRGSXSA-N	317.183	1.132	50	20	DDGD	
O=C(NCCc1ccccc1)NNc1cccc(-c2nn[nH]n2)c1	1593106539	PNLRKHVKMZDMON-UHFFFAOYSA-N	323.360	1.736	50	20	DDGD	
CC(=NNC(=O)c1ccc(CO)o1)c1ccc(C(=O)O)cc1C	1776097299	XOFGRZXPLMKNOJ-UHFFFAOYSA-N	316.313	1.933	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1cnc2ccc(C(=O)O)cn12	1776115915	MTWQCSOQLXBWAM-IZZDOVSWSA-N	315.285	1.129	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1ccc(/C=C\C(=O)O)o1	1776129801	WWLSWEXYZLNPPJ-QEYVUMQQSA-N	304.302	1.437	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C\c1ccc(/C=C/C(=O)O)cc1	1777033793	SEJAGCUHQBDZOH-UFVXJIOISA-N	306.343	1.540	50	20	DDGD	
CCOc1cc(/C=C(\C#N)C(=O)NC)ccc1OCC(=O)O	1776125917	WKLIQKHPPJOGGS-IZZDOVSWSA-N	304.302	1.202	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	14894665	UIMWPSYCHUWNRZ-RMKNXTFCSA-N	322.390	1.902	50	20	DDGD	
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NNC(=O)C1CC1	15426931	ZAHZFQUWAPBCSI-HNNXBMFYSA-N	313.357	1.508	50	20	DDGD	
Cc1ccc(NNC(=O)c2ccc(CNS(C)(=O)=O)o2)cc1	158844421	WJFFDDDKHKZYSY-UHFFFAOYSA-N	323.374	1.394	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)[C@@H]1CCCO1	160523353	LLTFEKVMGNLTAN-FOGDFJRCSA-N	310.300	1.395	50	20	DDGD	
O=C(/C=C/c1ccccc1)NNC(=O)[C@H]1COc2ccccc2O1	6310433	KUNBJUJFHYHZGF-SIFUEBAJSA-N	324.336	1.687	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNC(=O)c2cccn2C)cc1	157317585	QPHQBHGIHCLGBL-UHFFFAOYSA-N	315.373	1.773	50	20	DDGD	
COC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2ccc(C#N)cc2)C1	155499433	GGUSGVZDKBGJKF-CHWSQXEVSA-N	301.346	1.981	50	20	DDGD	
O=C(NNC(=O)c1cccc(-c2ncn[nH]2)c1)c1ccccc1	156510806	UBZZYZKINHACPU-UHFFFAOYSA-N	307.313	1.547	50	20	DDGD	
O=S(=O)(CBr)NCC1(Br)CC1	920056937	CLZQDHFHENFZDY-UHFFFAOYSA-N	307.007	1.186	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Cc1ccc(C)cc1	577802	DCZVSDRERAPLOZ-UHFFFAOYSA-N	312.369	1.936	50	20	DDGD	
CCC(CC)=NNC(=O)Cc1csc(N2CCOCC2)n1	7279848	HWBROYWAPYHUNY-UHFFFAOYSA-N	310.423	1.814	50	20	DDGD	
C=CCNC(=S)NNC(=O)C[C@H]1OCCc2ccccc21	115728792	OXUPNGICDCGEBI-CYBMUJFWSA-N	305.403	1.372	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)c2cccc(C#N)c2)cc1	110295798	CJNUGZGNZXIVOM-UHFFFAOYSA-N	307.309	1.836	50	20	DDGD	
COc1cccc(OCC(=O)NNc2nc(C)cc(C)n2)c1	51262801	QSHLFXOLAHKLOO-UHFFFAOYSA-N	302.334	1.624	50	20	DDGD	
O=C(CCNC(=O)NNc1ncccn1)Nc1ccccc1	113628046	SSTKGKACTIPFTR-UHFFFAOYSA-N	300.322	1.132	50	20	DDGD	
CCOC(=O)/C(C#N)=C\c1cc2c(cc1[N+](=O)[O-])OCCO2	63453921	IUNAHJWYHXTZAE-YHYXMXQVSA-N	304.258	1.836	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1cccc(Cl)n1	106286692	DSSNHMHPEKSVNT-UHFFFAOYSA-N	319.748	1.834	50	20	DDGD	
CN(C)c1cccc(CNC(=O)NNC(=O)c2ccccc2)n1	179070098	NJBZEKJJEBHDBC-UHFFFAOYSA-N	313.361	1.292	50	20	DDGD	
COCCCNC(=O)NNC(=O)COc1ccc(C)c(C)c1	54953354	DUKFLHDVNLUOSU-UHFFFAOYSA-N	309.366	1.049	50	20	DDGD	
O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNc1ccccc1	104219814	SDYRTYWIHYDMJV-OKILXGFUSA-N	315.373	1.695	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@@H]2C[C@@H]2C2CC2)o1	175869936	JCBRSYIGMLBGHL-ZIAGYGMSSA-N	319.405	1.929	50	20	DDGD	
COc1ccc2cc(C(=O)NNC(=O)NC(C)C)c(C)nc2c1	63269705	QOPGAGVCPDAJMR-UHFFFAOYSA-N	316.361	1.904	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1ccc2nncn2c1	175460707	JLGRONHJHCKUET-UHFFFAOYSA-N	307.235	1.904	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NNc1nccnc1Cl	114896964	DTWWFVJPJLSDHX-UHFFFAOYSA-N	323.696	1.560	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2csc3c2CCCC3)cn1	117820937	WUBBXGZEFSKVJW-UHFFFAOYSA-N	304.375	1.435	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1nnc(-c2ccoc2C)o1	110103362	FYOWXQJYPRWDHZ-QMMMGPOBSA-N	324.362	1.676	50	20	DDGD	
C[C@H](C(=O)NNc1ccc([N+](=O)[O-])cc1Cl)n1cncn1	178471136	RJQGKXSMXFWGIS-SSDOTTSWSA-N	310.701	1.544	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NCC1CC1	68455929	FVOFXQBOZOESRZ-VIFPVBQESA-N	311.769	1.848	50	20	DDGD	
O=C(C[C@H]1OC(=O)c2ccccc21)NNC(=O)NCC1CC1	65197284	UGYGQYKCQUNGQB-GFCCVEGCSA-N	303.318	1.029	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(Cl)ccc1F	124642389	XGXTZNKEEDCGHP-ZETCQYMHSA-N	315.732	1.611	50	20	DDGD	
N#Cc1ccc(CSCC(=O)NNc2ncc(F)cn2)cc1	122436526	FRUJYJDQPBGPMA-UHFFFAOYSA-N	317.349	1.864	50	20	DDGD	
CN(C)C(=O)CCCC(=O)NNc1ccc(OC(F)F)cc1	122686868	PGRQUFXOUAJVAU-UHFFFAOYSA-N	315.320	1.990	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccc3ccccc3n2)no1	73117427	JRVOMPHSVCXZSM-UHFFFAOYSA-N	311.301	1.998	50	20	DDGD	
COc1ccc(NNC(=O)Cc2ccn(C)n2)c([N+](=O)[O-])c1	184020887	QFUVZFZFSPCQMF-UHFFFAOYSA-N	305.294	1.023	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@H]2CCN(C3CC3)C2)n1	79460695	GVOSVUWSIMVBJF-GFCCVEGCSA-N	304.398	1.204	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cccc(N(C)C)c2)no1	73117846	GZSCASXXGZEVNZ-UHFFFAOYSA-N	303.322	1.516	50	20	DDGD	
CCC[C@H](C(=O)NNC(=O)C(=O)N1CCCC1)c1ccccc1	132288666	GVBQSAZDRHSDRI-AWEZNQCLSA-N	317.389	1.340	50	20	DDGD	
CCCn1cc(NC(=O)NNC(=O)Cc2ccccc2F)cn1	186223010	MECWVHMBWWZYEH-UHFFFAOYSA-N	319.340	1.828	50	20	DDGD	
N#C/C(=C\c1ccc(F)c([N+](=O)[O-])c1)S(=O)(=O)NC1CC1	195308810	VIZCIIAIEPUHJL-BJMVGYQFSA-N	311.294	1.680	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1ccc2[nH]c(=O)[nH]c2c1	195210894	BXSRNTLBEPPCQI-UHFFFAOYSA-N	302.334	1.198	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cccc3c2CCC3)n1	194365543	IWQYCYKKGXGFAW-UHFFFAOYSA-N	312.373	1.450	50	20	DDGD	
O=C(CSc1cccc[n+]1[O-])NNc1ccccc1[N+](=O)[O-]	45169236	SWTJWPYRGPMNSE-UHFFFAOYSA-N	320.330	1.464	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NC[C@H]2CCCOC2)c1	193975576	KDGOIUUWIBZJMO-GFCCVEGCSA-N	320.393	1.123	50	20	DDGD	
CCOc1ccc(CC(=O)NNC(=O)c2cccn2C)cc1	263800854	KPHXGSHPVQVIIP-UHFFFAOYSA-N	301.346	1.428	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@@H]([C@@H](C)N)C1	269287295	SSZBVKTXTIKXLC-ZWNOBZJWSA-N	312.845	1.938	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cccc(OC[C@H]2CCCO2)c1	264788226	RJYNCJHQNQBYBX-OAHLLOKOSA-N	318.373	1.806	50	20	DDGD	
CC1(C)CN(S(=O)(=O)CBr)[C@@H]1[C@@H]1CCCO1	367729500	UPSDJEHFEHUVPC-DTWKUNHWSA-N	312.229	1.558	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cncnc2)c1C	273973708	PQAAXDUUPRCKSF-LBPRGKRZSA-N	314.345	1.322	50	20	DDGD	
CC(C)[C@]1(C)C[C@H]1C(=O)NNC(=O)Cn1cnc2ccccc21	274918199	KOTDMIVGIJYYND-SJCJKPOMSA-N	314.389	1.866	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CNC(=O)OC(C)(C)C)c1	272773089	DLEPKCSRODOYAM-UHFFFAOYSA-N	323.349	1.441	50	20	DDGD	
C=C(CBr)CN1C[C@@H](CO)[C@H](c2cnn(C)c2)C1	279407367	VNQBXMVKCOHASV-STQMWFEESA-N	314.227	1.379	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@]2(C)CCN(C(C)=O)C2)c1	366073587	PIWPDGGOUKEMFM-OAHLLOKOSA-N	309.341	1.536	50	20	DDGD	
O=C(NNc1nccnc1Cl)[C@@H]1CCN(CC(F)(F)F)C1	279821307	APHDQUWANCQKTM-SSDOTTSWSA-N	323.706	1.457	50	20	DDGD	
Cc1noc(C)c1NC(=O)NNC(=O)c1cccc(N(C)C)c1	273446078	ZXPWHDLEEYRBOL-UHFFFAOYSA-N	317.349	1.824	50	20	DDGD	
N#CCOc1ccc(CNS(=O)(=O)CBr)cc1	272856831	WMBQLUULSQHNFK-UHFFFAOYSA-N	319.180	1.361	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc(Cn2cncn2)c1	273483218	LUFGXOSHOVSMQG-LLVKDONJSA-N	316.365	1.525	50	20	DDGD	
O=C(C[C@@H]1C(=O)Nc2ccccc21)NNc1ncccc1F	375924521	BBYZRRXAOLFSLN-JTQLQIEISA-N	300.293	1.790	50	20	DDGD	
Cc1ccoc1C(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C	273334209	ZECLEKWBWNOBFP-VIFPVBQESA-N	311.338	1.262	50	20	DDGD	
O=C(NNc1ncccc1Cl)[C@H]1COCCN1C1CCCC1	376710028	KCWNNSQBWMNJHV-CYBMUJFWSA-N	324.812	1.822	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCC[C@@H](N(C)C)C2)n1	280139216	DQHUUWJWLAFKDZ-CHWSQXEVSA-N	319.409	1.207	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2nc(C3CC3)cs2)O1	292626923	LSIDOQBSIURNMZ-XVKPBYJWSA-N	310.379	1.741	50	20	DDGD	
Cc1cc(O)cc(=O)n1CCC(=O)N(C)CC(Cl)Cl	808248653	PESVZNCGPBONBC-UHFFFAOYSA-N	307.177	1.515	50	20	DDGD	
COc1ccc(CNC(=O)NCCSSC)c(OC)n1	292592491	SMSIXWZFABSXHQ-UHFFFAOYSA-N	317.436	1.909	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNC(=O)c1ccc[nH]1)c1ccsc1	298684030	YWHDRPIATMXZEZ-GFCCVEGCSA-N	321.406	1.323	50	20	DDGD	
Cn1cc(CC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cn1	299661664	QTVPEHWVWQPHPC-UHFFFAOYSA-N	316.405	1.326	50	20	DDGD	
N#Cc1cc(O)cc(C(=O)NNC(=O)c2ccc(Cl)nc2)c1	809612193	HQKGMCBTYLZBIW-UHFFFAOYSA-N	316.704	1.387	50	20	DDGD	
CCN(C(=O)NCCSSC)[C@H]1CCS(=O)(=O)C1	807225879	NLEJVUWUZRLUAU-VIFPVBQESA-N	312.482	1.216	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)O1	294396696	XHKUSOXDPDVLDO-JOAXCPLTSA-N	319.317	1.323	50	20	DDGD	
N#Cc1ccc(NCCNC(=O)NNc2cccc(F)n2)nc1	804959533	DODLRVQYCSSRCO-UHFFFAOYSA-N	315.312	1.226	50	20	DDGD	
CC(=O)Nc1ccc(CC(=O)NNc2cccc(F)n2)cc1	804766503	PZKCVBDXUMPNKH-UHFFFAOYSA-N	302.309	1.865	50	20	DDGD	
CC1(C)C(NC(=O)NNc2ccc(-n3ccnc3)nn2)C1(C)C	805171683	PLUDXSQLMXSCNF-UHFFFAOYSA-N	315.381	1.723	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCC(=O)OC1CCCCC1	802454966	BZQCYWGCBREPGQ-UHFFFAOYSA-N	313.398	1.629	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ncccc1C(F)(F)F	295274642	CBNKMXCGPFOATD-VIFPVBQESA-N	317.267	1.431	50	20	DDGD	
CSc1cccc(NC(=O)NNC(=O)Cc2ccncc2)n1	806782426	LBEACFGGZDGTEQ-UHFFFAOYSA-N	317.374	1.594	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCc1ccc2cncn2c1	297592231	FEKHFVUTQZVLSG-UHFFFAOYSA-N	305.338	1.573	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1cccc(CN2CCCC2)c1	299114356	CGDXKHJEZIAAAU-UHFFFAOYSA-N	312.373	1.685	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc2nncn2c1	805379117	RVCJAZJLLQWSGZ-UHFFFAOYSA-N	312.289	1.703	50	20	DDGD	
COc1ncnc(OC)c1C(=O)NN(C)C(=O)OC(C)(C)C	297637848	LRANQBZXTODSBK-UHFFFAOYSA-N	312.326	1.006	50	20	DDGD	
C[C@@H](Cc1cccc(F)c1)C(=O)NNC(=O)N=c1cc[nH]cc1	802024204	LPKNVIQYIAZTBL-NSHDSACASA-N	316.336	1.674	50	20	DDGD	
Cc1nc(Cl)c(Cl)cc1C(=O)NNC(=O)NC1CC1	805170974	KFWIWDDYVDIWJB-UHFFFAOYSA-N	303.149	1.803	50	20	DDGD	
CCc1nn(C)c(OC)c1C=NNC(=O)Cc1csc(C)n1	814740708	TYSIUMOZAYTGJG-UHFFFAOYSA-N	321.406	1.449	50	20	DDGD	
CO[C@@H](Cc1ccccc1)CS(=O)(=O)N1CC=C(C#N)CC1	817138668	QBTOWPYMGGWHQJ-INIZCTEOSA-N	320.414	1.730	50	20	DDGD	
Cn1nncc1NNC(=O)c1cccc2c3c([nH]c12)CCCC3	816770248	PFLPRKVQHJCTHY-UHFFFAOYSA-N	310.361	1.932	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCCCC1)C1CCN(C)CC1	814763678	IPKUCEADTDRHHU-CQSZACIVSA-N	308.470	1.942	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)c1cc2c(C)nn(C)c2s1	814956401	VNOLNJPOBNTWKT-UHFFFAOYSA-N	316.390	1.749	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)[C@H]1CCCN(c2ccccc2)C1=O	816012824	XJCQOLMIXJAFSE-OAHLLOKOSA-N	310.357	1.390	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C)c(C)c1)c1cnnn1C	814720810	OZFRFWCARBERPL-UHFFFAOYSA-N	301.350	1.351	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2cccc[n+]2[O-])ccc1C	816690218	LKOUPFNPHOZDDP-UHFFFAOYSA-N	301.302	1.172	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)c1cc2n(n1)CCO2	811124036	SLGBTTQAIDOFAJ-UHFFFAOYSA-N	324.138	1.190	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1sccc1-n1cccc1	818296926	WBGPGKKWTMPTBX-UHFFFAOYSA-N	306.416	1.834	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)c2cccc(O)n2)c1	819552100	QXRFCDOIUZKYQN-UHFFFAOYSA-N	315.333	1.638	50	20	DDGD	
CCc1nocc1C=NNC(=O)COc1ccccc1OC	814719402	NPFUXKVOXOIJAT-UHFFFAOYSA-N	303.318	1.775	50	20	DDGD	
CC1(C)CC(=NNC(=O)C(=O)NC2CC2)c2cc(O)ccc2O1	814778019	MSXWCIXMIVKQRO-UHFFFAOYSA-N	317.345	1.052	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CC2CCC1CC2	814494738	XYULELHNASILEX-BLYZHGLHSA-N	324.421	1.938	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	812626884	PVGWBJYZPVOPQY-SRVKXCTJSA-N	316.398	1.030	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	490942938	PYTLRUCWJJPUAB-FPLPWBNLSA-N	310.260	1.561	50	20	DDGD	
Cc1ccc(Br)cc1CC(=O)NN(C)[C@H](C)CO	823917560	KDODMZZIWNIJTK-SNVBAGLBSA-N	315.211	1.644	50	20	DDGD	
O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccccn1	490577681	UIHOIUZUKWUCTD-TWGQIWQCSA-N	312.285	1.464	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H]1C[C@@H]1c1cc(OC)ccc1OC	492751252	XKXCLNYVHCFAIN-ZYHUDNBSSA-N	308.334	1.585	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCC[C@H]1/C=C\c1ccccc1	828755704	PJHFNSXAJCQITR-SNGWPZLWSA-N	315.417	1.968	50	20	DDGD	
CC(=O)N1CCCN(C(=O)[C@@]2(C)C[C@@H]2Br)CC1	905532319	XOAOIFOSZSTHES-JQWIXIFHSA-N	303.200	1.241	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1ccc(O)cc1Cl	905448084	ANFHFUPFLUPZIT-SNVBAGLBSA-N	314.769	1.937	50	20	DDGD	
CN(CC1(O)CCOCC1)C(=O)[C@]1(C)C[C@H]1Br	907595004	NRWLFNDPZYFMJU-MWLCHTKSSA-N	306.200	1.160	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C)CC1(c2ccccc2)CC1	829083376	MGKAHPUWWNQVJP-UHFFFAOYSA-N	303.406	1.453	50	20	DDGD	
Cc1ccccc1C1(C(=O)N2CC[C@H](B(O)O)C2)CCOCC1	585072226	KIZLVWZDZJBWPB-AWEZNQCLSA-N	317.194	1.119	50	20	DDGD	
C[C@H]1CN(C(=O)/C(C#N)=C\c2cnn(C)c2)CC2(CCC2)O1	491049585	NJCLUBWMEWWCFZ-JVXNRYDGSA-N	300.362	1.497	50	20	DDGD	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NNc1ccnc(F)c1	496809705	IZQDNLQRVBFYRP-VHSXEESVSA-N	310.329	1.577	50	20	DDGD	
COC(=O)c1ccc(CNC(=O)[C@@]2(C)C[C@@H]2Br)o1	906701318	WVJJKWKELYCJNW-CABZTGNLSA-N	316.151	1.856	50	20	DDGD	
C[C@]1(C(=O)N[C@@H]2CN(c3ccccc3)C2=O)C[C@H]1Br	907288492	PLBVUVKALAOKSP-GYSYKLTISA-N	323.190	1.692	50	20	DDGD	
CC(C)NC(=O)[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(O)cc1	491133176	OQPPWVZSTRXGAI-KAQJVSAMSA-N	301.346	1.328	50	20	DDGD	
CC[C@H](C(=O)NNc1ncccn1)N(C)C(=O)OC(C)(C)C	820935029	MQZNWQGOJPPSRU-SNVBAGLBSA-N	309.370	1.565	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1F	491100627	BRUXBYFUVPTLDB-KPKJPENVSA-N	322.336	1.903	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1nc(Br)ccc1O	491158439	FMERAKVKVFZWQP-SREVYHEPSA-N	312.123	1.932	50	20	DDGD	
Cn1cc(CCCNC(=O)/C(C#N)=C/c2ccc(O)cc2)cn1	490909503	OFTVYSDUBVAULK-OQLLNIDSSA-N	310.357	1.782	50	20	DDGD	
C[C@]1(C(=O)NCC2CCN(CC#N)CC2)C[C@H]1Br	906797977	MSZBFKFUSAVASH-YPMHNXCESA-N	314.227	1.512	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)[C@H](C)CN1CCC(C)CC1	491766324	GXMAQNQKKUVKEB-OAHLLOKOSA-N	315.421	1.334	50	20	DDGD	
C=COc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	831860222	MGPCGORLLWEISW-ZWNOBZJWSA-N	305.334	1.787	50	20	DDGD	
C[C@H](CCc1ccc(F)c(F)c1)NCc1ccc(B(O)O)o1	585023378	HAANYKJRTUPBGS-SNVBAGLBSA-N	309.121	1.349	50	20	DDGD	
CCN(CC)C(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1cnn(C)c1	837968177	CIVKAXZKVMEHTR-NUBYWOLOSA-N	304.350	1.127	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNc1ncnc2ccsc12	839704874	FPDCLRGOTWKJFB-QMMMGPOBSA-N	308.363	1.724	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc3c(s2)CCC3)nn1	839474107	XCEASEUIZAUOFD-UHFFFAOYSA-N	302.359	1.410	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)[C@H]2COc3ccccc3O2)cn1	732710567	MJNMFUVRVZEMOJ-OAHLLOKOSA-N	314.345	1.754	50	20	DDGD	
CC[C@H](C)NC(=O)CCNC(=O)[C@@]1(C)C[C@@H]1Br	906287875	OCCOKNXWCLBVQD-AUTRQRHGSA-N	305.216	1.581	50	20	DDGD	
Cc1cc(OC(F)F)c(C)cc1NCc1ccc(B(O)O)o1	585039336	SISBBWKWSZUXMP-UHFFFAOYSA-N	311.093	1.790	50	20	DDGD	
CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cc(C)cc(C)c1	730433490	OEOWLMWSLDAFRG-CQSZACIVSA-N	323.418	1.514	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)OCC(=O)N2CCCCCC2)cn1	837970142	YNNYCVQLFPBISQ-ZSOIEALJSA-N	316.361	1.273	50	20	DDGD	
CCOc1ccc(C=NNC(=O)c2ncon2)cc1OCC	901286574	ULRCYTDNTPXJSL-UHFFFAOYSA-N	304.306	1.631	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@@H]2CCCCO2)cccc1N(C)C	836495907	UWNXTIGZCQLSRY-AWEZNQCLSA-N	320.393	1.783	50	20	DDGD	
CCCOc1ccc(NCc2ccc(B(O)O)cc2F)cc1	585031999	NSPXQGMYOMDSAN-UHFFFAOYSA-N	303.142	1.906	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CNC(=O)c1cccs1)C1CCC1	837383524	FSCWOUXWUXBWBF-SECBINFHSA-N	309.391	1.062	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)[C@@H](C)OCCOC)C1CCCC1	838702573	GKHXVBPJAMMFQF-DGCLKSJQSA-N	315.414	1.337	50	20	DDGD	
CCNC(=O)CCC(=O)NN=c1sc2ccccc2n1C	732056208	NHUMJUVNRKPADF-UHFFFAOYSA-N	306.391	1.088	50	20	DDGD	
CO[C@]1(C)C[C@@H](NC(=O)NNC(=O)[C@@H]2CCCCO2)C1(C)C	836336021	UQQJCRSBMIOIOO-FIXISWKDSA-N	313.398	1.090	50	20	DDGD	
C[C@H]1CCC[C@@H]([C@H](C)NC(=O)NNC(=O)C(=O)N2CCCC2)C1	838732986	RAYJWZSBFDIDRU-RWMBFGLXSA-N	324.425	1.154	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)[C@@]1(O)CCc2ccccc2C1	837209187	WWEZMERCHKFXIH-MRXNPFEDSA-N	319.311	1.723	50	20	DDGD	
Cc1cc(N(C)C)ccc1CNC(=O)NNc1cccnn1	737047735	NHUDIZJRGURHPR-UHFFFAOYSA-N	300.366	1.677	50	20	DDGD	
C[C@@H]1CN(c2ccccc2F)CCN1S(=O)(=O)CCl	831233111	ZNFPTJKQHAFJBW-SNVBAGLBSA-N	306.790	1.862	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)CC2CCCC2)cc1OC	913162553	ZAJGAGDDORGPOG-UHFFFAOYSA-N	320.389	1.974	50	20	DDGD	
COC(=O)N1CCC(C(=O)NNc2cccc(C#N)c2)CC1	830766679	MGVTWFGVOJFAHY-UHFFFAOYSA-N	302.334	1.480	50	20	DDGD	
N#Cc1cccc(NNC(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)c1	838744716	PWMCFYLJEBMURR-ZIAGYGMSSA-N	313.361	1.338	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCc1ccon1	747593370	BPFKOCGCFGMTKI-VIFPVBQESA-N	322.296	1.112	50	20	DDGD	
CCOc1cccc(C=NNC(=O)[C@@H](C)OCCOC)c1O	748259939	NJTNBTPTONFZQF-LLVKDONJSA-N	310.350	1.293	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1ccccc1OC(F)F	748253531	OSJMSEOUICOROC-JTQLQIEISA-N	316.304	1.790	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@@H]2C[C@H](C)O[C@H]2C)n1	840431666	CNDKEUGMYRDUGB-DCAQKATOSA-N	309.370	1.233	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)cc1	911876994	IIGVDZPYNSQIFP-NILFDRSVSA-N	302.330	1.070	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)c1ccc(OC)c(OC)c1	749759422	WYAVFFAIELBJLJ-SECBINFHSA-N	311.407	1.611	50	20	DDGD	
CCOC(=O)CCN(C(=O)/C(C#N)=C/c1cnn(C)c1)C(C)C	848350654	SGWCKDWMPYKMLE-RIYZIHGNSA-N	318.377	1.517	50	20	DDGD	
CC[C@H]1C[C@@H](C(=O)NNc2cc(O)nc3ncccc23)CCO1	913990870	AMEVMYHHMOZMBW-QWRGUYRKSA-N	316.361	1.984	50	20	DDGD	
Cc1noc(CN(C)C(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)n1	848354128	MNOLUUCMQGYIHY-ACAGNQJTSA-N	324.344	1.462	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@]12CCC(=O)N1c1ccccc1S2	913161793	VUKNPHVQDAYOFB-OAHLLOKOSA-N	319.386	1.419	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCC[C@@H]1C[C@H]2C=C[C@H]1C2	847405025	UVWSNPHVJUZRAL-LPEHRKFASA-N	305.300	1.872	50	20	DDGD	
CC1(c2cc(NC(=O)NNC(=O)CCCN)no2)CCCC1	841220801	SQQQPCVKFMUNLI-UHFFFAOYSA-N	309.370	1.398	50	20	DDGD	
CCCCc1nc(C=NNC(=O)c2ncccn2)c(Cl)[nH]1	841664058	FVNAWWVFCIUQND-UHFFFAOYSA-N	306.757	1.960	50	20	DDGD	
COc1ccccc1C1(C(=O)NNC(=O)NCC2CC2)CC1	749174312	URCQEIIGWZNCRN-UHFFFAOYSA-N	303.362	1.467	50	20	DDGD	
N[C@H]1CCCN(C(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)C1	846661728	FPQLCLYBQZEEBN-MRBYEJRBSA-N	301.228	1.890	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)NOCc1cccnc1	746817202	VIRSJUHYGPQMPV-UHFFFAOYSA-N	304.281	1.297	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1cccc(OC(F)F)c1	841039125	BJIYBFXAIJECCT-UHFFFAOYSA-N	302.281	1.180	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)NC2CCCCC2)cc1C1CC1	742033934	SXANLVMNCBVWES-UHFFFAOYSA-N	305.382	1.574	50	20	DDGD	
C=CCCCC(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1	748233890	KWPVPZYLUXFGPL-UHFFFAOYSA-N	315.329	1.219	50	20	DDGD	
COc1ccc(CCCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	843648370	QDZOSHZFWIIZQV-WFASDCNBSA-N	320.389	1.590	50	20	DDGD	
CO[C@H](C=NNC(=O)COc1ccc(C#N)cc1)[C@@H]1CCOC1	841607552	WHFFDKOWJOKVTR-UKRRQHHQSA-N	317.345	1.091	50	20	DDGD	
CN(C)c1nccc(NNC(=O)Cc2ccc3c(c2)CCC3)n1	740104306	HCGHAEIYRWIYPW-UHFFFAOYSA-N	311.389	1.717	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ccc(N2CCOCC2)c(C)c1	843776280	KJJOFHRYIFWLJL-UHFFFAOYSA-N	320.393	1.186	50	20	DDGD	
CC(C)Oc1ccccc1CC(=O)NNC(=O)[C@H]1CCO[C@H]1C	843649592	VVGNCIPYDZIUBC-JSGCOSHPSA-N	320.389	1.589	50	20	DDGD	
CC[C@H](C)c1nc(C)c(CC(=O)NNc2nc[nH]n2)c(C)n1	848384868	FNLFUCMHWKKOHZ-QMMMGPOBSA-N	303.370	1.411	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)N[C@@H](C)CCN)cc2C1	841967857	QPJHRPOXYAJBPZ-UWVGGRQHSA-N	324.450	1.554	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)NC[C@@H](C)C2CC2)cc1	920055116	XTFXZRYBODGRAU-LLVKDONJSA-N	321.377	1.451	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc(C(F)(F)F)nc1O	920859078	FURJWTZOWSPDKQ-UHFFFAOYSA-N	318.255	1.160	50	20	DDGD	
COc1ccc(NCC(=O)NN=C2CN(C(C)C)C[C@H]2C)cc1	754256695	YTYAWOSADKDZGG-CYBMUJFWSA-N	318.421	1.939	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)NCC2CC(C)C2)cc1	856961739	RBSDMUJLXJKFAL-UHFFFAOYSA-N	321.377	1.451	50	20	DDGD	
Cc1cnc2c(c1)N(C(=O)/C(C#N)=C/c1cnn(C)c1)CCN2	858000234	DHGILZOCDQBCNA-AWNIVKPZSA-N	308.345	1.489	50	20	DDGD	
CN(CC(=O)NCc1ccco1)NC(=O)OCc1ccccc1	859389329	GWDRWIXXCOUITL-UHFFFAOYSA-N	317.345	1.669	50	20	DDGD	
O=C(NN=Cc1csc(C2CC2)n1)C(=O)Nc1ccccn1	758387209	HMGGSMCTFVGCRX-UHFFFAOYSA-N	315.358	1.504	50	20	DDGD	
C[C@]1(CNS(=O)(=O)CC2(CC#N)CC2)C[C@H]1Br	856753542	TULBCNLIWMSKPR-NXEZZACHSA-N	321.240	1.773	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H]2COc3ccccc3O2)c(C)n1C	754895324	MYCJKWNGIIKQCA-INIZCTEOSA-N	313.357	1.932	50	20	DDGD	
CCOCC(=O)NN=Cc1cc(C(=O)OC)c2n1CCCC2	857208413	YKNCFWIZCKIBEG-UHFFFAOYSA-N	307.350	1.098	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)NCC(F)(F)F)cc1F	853292547	FAFHBGWSFRISCN-UHFFFAOYSA-N	321.230	1.808	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	921166741	NXKZANYHLCVDST-GFCCVEGCSA-N	315.373	1.839	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)c1cccc(F)n1)C(C)(C)C	852164040	NWSSNIQOERDGMG-SNVBAGLBSA-N	312.345	1.226	50	20	DDGD	
C[C@H](C[C@H]1CCOC1)NC(=O)NNC(=O)Cc1ccccc1F	759767105	LLEXDMAYRDIAKI-VXGBXAGGSA-N	323.368	1.514	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CO[C@H]2CCC[C@@H](C)C2)nc1	759739899	SKMVEPGDFSLXGO-YPMHNXCESA-N	321.377	1.907	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)C1(C)C	853387561	DQDGBHFHLDQYKC-MBNYWOFBSA-N	309.410	1.157	50	20	DDGD	
CCNc1nc(C)c(C(=O)NNC(=O)c2ccccn2)s1	759183579	IGYOVNMIVVTLAK-UHFFFAOYSA-N	305.363	1.353	50	20	DDGD	
CC(C)(C)[C@@H](C(=O)O)C(=O)NNc1nc(-c2cccnc2)no1	852950762	KOXFIBDUOWFAMH-SECBINFHSA-N	319.321	1.322	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2CCc3c[nH]nc3C2)cc(C#N)n1C	750793472	GZMMLGNKDALYJN-LHHJGKSTSA-N	320.356	1.420	50	20	DDGD	
C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCCCSC#N	854360015	FAIQIRZWMTVXKE-JTQLQIEISA-N	301.412	1.868	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cnc(C)n2C)cc1OC	853259533	HUUABUHOSOMRPO-UHFFFAOYSA-N	302.334	1.510	50	20	DDGD	
COC(=O)[C@@H]1C[C@H](O)CN1C[C@H](CBr)C1CC1	859274091	UOVBZTUWORIXJM-DCAQKATOSA-N	306.200	1.016	50	20	DDGD	
CCCOc1ccc(NC(=O)NNC(=O)c2cnccn2)cc1	757846864	ZBZXJJOQAYLPTC-UHFFFAOYSA-N	315.333	1.732	50	20	DDGD	
O=C(NCc1ccco1)NN=C1C(=O)Nc2c(F)cccc21	753960918	XHSFJTDOUQTEOP-UHFFFAOYSA-N	302.265	1.574	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(C(F)(F)F)n[nH]2)n1	857459340	JSQORBIGIYDPGA-UHFFFAOYSA-N	316.243	1.292	50	20	DDGD	
CCCNC(=O)NNC(=O)c1ncccc1OCC(F)(F)F	752515226	OFVIDDMULMMDBZ-UHFFFAOYSA-N	320.271	1.377	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)CC(C)(C)CC(C)=O	854284782	YCOGKYKJQSIPRZ-UHFFFAOYSA-N	317.455	1.256	50	20	DDGD	
COc1ccc(C(C)(C)C(=O)NNC(=O)NC(C)C)cc1OC	758202320	UYGFDWRGVVUWKE-UHFFFAOYSA-N	323.393	1.720	50	20	DDGD	
N#Cc1ccc(Br)c(NNC(=O)C[C@@H]2CC(=O)N2)c1	855615187	BSMQRXMBBNWAKD-QMMMGPOBSA-N	323.150	1.042	50	20	DDGD	
CO[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)C12CCC2	852710050	IJICXHPNDGZAJV-MNOVXSKESA-N	322.340	1.122	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)c1coc(C2CCOCC2)n1	857533043	FTDNTTPRYDBLMZ-UHFFFAOYSA-N	324.287	1.999	50	20	DDGD	
C[C@H]1[C@H](c2ccccc2)CCN1CC(=O)NNC(=O)C1CC1	751500001	MLZCDSPXWNLNJU-SWLSCSKDSA-N	301.390	1.422	50	20	DDGD	
C[C@@H](NNC(=O)CN(C)c1ccc(Cl)cn1)C(F)(F)F	862310347	VTWCSUGDDWXIOK-SSDOTTSWSA-N	310.707	1.743	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCCCC(=O)NC1CC1	866502376	FHOZRCKFGNNNSM-UHFFFAOYSA-N	310.847	1.230	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2ccc(OC(F)(F)F)cc2)N1	863146328	VZYJQIBVHMXHGJ-JTQLQIEISA-N	315.251	1.314	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCC1CCN(C(C)C)CC1	868943457	IFAOMWJFUNFXIM-UHFFFAOYSA-N	312.458	1.873	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NN(C)C(=S)NC	861961636	YRBXAEYMYLYDDF-SECBINFHSA-N	318.443	1.099	50	20	DDGD	
CCc1cccc(NC(=O)C(=O)NNC(=O)c2ccccn2)c1	763463859	NFUCTGBMGQAZPR-UHFFFAOYSA-N	312.329	1.044	50	20	DDGD	
O=C(C[C@@H]1CC(=O)NC1=O)NNc1cc(Cl)ccc1Cl	935022683	KUFBJGYULKRIPA-LURJTMIESA-N	316.144	1.489	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)c1cnccn1)CCCO2	763166479	ZBJBUWXGLRNPGE-UHFFFAOYSA-N	312.329	1.792	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccn(Cc2ccccc2)n1	768547188	MTNHASWFEYSBJY-UHFFFAOYSA-N	316.365	1.629	50	20	DDGD	
CN1CCN(CCNC(=O)[C@@H](Br)C(C)(C)C)CC1	767015318	QUJSHDGBHDXIAL-LLVKDONJSA-N	320.275	1.160	50	20	DDGD	
CCC(=O)NN[C@@H](C(=O)OC)c1cccc(Br)c1	766724360	IBCAFXMXZGHAHS-LLVKDONJSA-N	315.167	1.694	50	20	DDGD	
O=C1CSc2ccc(NC(=O)NNc3cnccn3)cc2N1	769943635	WDWYIPVEJZJNQZ-UHFFFAOYSA-N	316.346	1.669	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H]1CCCCN(C)C1=O	874269371	ROCLWOHCWCBMLP-NSHDSACASA-N	322.317	1.767	50	20	DDGD	
CCOCCC(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874950664	FSEIKCLZZYBZQS-UHFFFAOYSA-N	310.423	1.497	50	20	DDGD	
C=CC(C)(C)CC(=O)NNC(=O)Cc1nc2ccccc2n1C	878003109	UPMYVUIZQGCXSY-UHFFFAOYSA-N	314.389	1.866	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@H](CO)CC2CC2)cc(C#N)n1C	770988493	SOYXVTDQFFVBGG-XXUROBRHSA-N	312.373	1.389	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccc(C)nc1N1CCCC1	875475000	KDRJKLYCLWZTEG-UHFFFAOYSA-N	321.381	1.403	50	20	DDGD	
Cc1nc[nH]c1C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	873810693	YEIDZXUWJGUPKW-MRVPVSSYSA-N	318.402	1.979	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H](C[C@@H](C)O)c1ccccc1	875375733	ABAPBURQXFICLP-YPMHNXCESA-N	309.366	1.454	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@H](C)OCC2CC2)cn1	874954281	RPAYILJQUKICQO-VIFPVBQESA-N	324.406	1.223	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)c2cc3c(s2)CCC3)c(C)n1	777276430	TVGYTXAORAOMME-UHFFFAOYSA-N	316.386	1.718	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1	878577506	KVZBZJRVUKZJMA-UHFFFAOYSA-N	302.718	1.863	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)c1nc2ccccc2s1	874913598	FTUUDTPICSKKKV-VHSXEESVSA-N	321.402	1.976	50	20	DDGD	
O=C(NNc1ccc(F)cn1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O	874651547	PTWADZQLHOGEIL-YUMQZZPRSA-N	320.246	1.121	50	20	DDGD	
COc1ccc(NC(=O)NNc2ncc(F)cn2)c(OC)c1	775432604	JWRXGKFWOOVPRJ-UHFFFAOYSA-N	307.285	1.782	50	20	DDGD	
CCCC[C@H](CC)CNC(=S)NNC(=O)NCC(=O)OC	779722260	ZFRSMCBFBAVOSD-JTQLQIEISA-N	318.443	1.054	50	20	DDGD	
COc1cccc(NNC(=O)NCc2nc(C3CC3)no2)n1	779991330	GOPXQRRTHIXBMG-UHFFFAOYSA-N	304.310	1.177	50	20	DDGD	
CN(CCO)Cc1cn(/C(Cl)=C/CBr)nn1	881310561	MCSVFMWGQJFPQW-XNWCZRBMSA-N	309.595	1.134	50	20	DDGD	
CN(C(=O)NC[C@]1(C)C[C@@H]1Br)[C@@H]1CCC[C@H]1O	889410954	IVABQENSQTXTSJ-SVDPJWKOSA-N	305.216	1.715	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)Cc2ccncc2)c1F	771244247	JZHAUOLYTRQKRG-UHFFFAOYSA-N	318.308	1.625	50	20	DDGD	
Cc1nc(CC(=O)NN=C2CCOC3(CCOCC3)C2)cs1	884391077	PKNPVELJAJEXTO-UHFFFAOYSA-N	323.418	1.826	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N2CCC[C@@H](CF)C2)c1	883476398	FTRHILRJXKADDM-LBPRGKRZSA-N	304.325	1.594	50	20	DDGD	
Cc1cccc(NNC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)c1	788274672	QYEYWOZDYVUQGL-LLVKDONJSA-N	315.295	1.991	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccc(Cl)nc2)c(C)n1	784871601	QRDFEHIAMZUTJQ-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
Cc1ccc(NCC(=O)NN=Cc2ccccc2C(N)=O)cc1	788699118	SPCLGIZTDAELNI-UHFFFAOYSA-N	310.357	1.656	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](C[C@H]1CCCO1)C(F)(F)F	887150283	FAQCFJYVVXVGQL-GHMZBOCLSA-N	320.311	1.685	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NN=c1cc[nH]cc1	781019345	GGHBLMKQYHCSQQ-JSGCOSHPSA-N	319.409	1.167	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)[C@@H]1CCS(=O)(=O)C1	885123780	HAJQFZOFLASSBP-SECBINFHSA-N	302.783	1.526	50	20	DDGD	
C=C/C=C\CCNC(=O)NNC(=O)CCOc1ccccc1	883461479	VXHYBCYWMTYFAK-ARJAWSKDSA-N	303.362	1.918	50	20	DDGD	
C[C@H](CBr)COC(=O)[C@H]1CCC[C@H](C(N)=O)C1	787834716	UXNTYYIRXXTTAU-UTLUCORTSA-N	306.200	1.852	50	20	DDGD	
Cc1cc(C(=O)OCC(=O)NNC(=O)c2cccs2)ccn1	789029021	CYCXKMOPBDFHKD-UHFFFAOYSA-N	319.342	1.070	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1ccc(C#N)cc1Cl	782479048	XRCCCNQZZLOIGI-UHFFFAOYSA-N	316.770	1.066	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC(NC(N)=O)CC1	781093777	NNIKZDCATRKYAX-VIFPVBQESA-N	320.231	1.455	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)c1	780800374	IXCUAXFLTJWGNI-WDEREUQCSA-N	304.346	1.922	50	20	DDGD	
CN(C)[C@@H]1CCCC(=NNC(=O)COc2ccccc2C#N)C1	788420486	WJAMGAKXUWKTPQ-OAHLLOKOSA-N	314.389	1.913	50	20	DDGD	
O=C(NN=C1CC(c2cccc(F)c2)C1)[C@@H]1CCS(=O)(=O)C1	781586283	IVVFONATUDDNCN-JHJMLUEUSA-N	324.377	1.610	50	20	DDGD	
CC(C)Oc1ccc(NC(=O)NNC(=O)CO)c(Cl)c1	782102741	JMBGQIUQOXNXRI-UHFFFAOYSA-N	301.730	1.272	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc(C)c(C(=O)O)c1	899339407	WJEVBTGZLJLYRE-JYRVWZFOSA-N	302.330	1.753	50	20	DDGD	
COc1ccc(NC(=O)NNc2ncncc2Cl)c(C)n1	782055588	NELRFEQLKNUYAR-UHFFFAOYSA-N	308.729	1.991	50	20	DDGD	
Cc1ccccc1-n1nccc1/C=C(\C#N)S(=O)(=O)N(C)C	794959158	ZMBAHPXKEYKLLZ-GXDHUFHOSA-N	316.386	1.937	50	20	DDGD	
CC(=NNC(=O)CCN1CCCCCC1)c1ccnc(O)c1	790286674	AJYBBOTVPDZIRV-UHFFFAOYSA-N	304.394	1.894	50	20	DDGD	
C[C@@H](Sc1ccccn1)C(=O)NNC(=S)NC(C)(C)C	899995994	CXGUHHDTGSVHRQ-SECBINFHSA-N	312.464	1.856	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@H]2N(C)CCCC2(C)C)nc1	790542868	PTNSMDXBMDWXPM-CYBMUJFWSA-N	321.425	1.837	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)cc1OC	799856351	BGWSHSKACBIUSX-PKFCDNJMSA-N	322.361	1.278	50	20	DDGD	
CSC[C@H]1CCCN([C@H](C)C(=O)NNC(=O)CC(C)C)C1	795597818	FLQGEROULOUPIY-OLZOCXBDSA-N	315.483	1.643	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCCN1CCOC[C@@H]1C	799578956	AJSBZQLOBAKLBS-AWEZNQCLSA-N	320.437	1.904	50	20	DDGD	
CCN(C(=O)[C@H](Br)C(C)(C)C)[C@@H]1CCNC1=O	799770582	CHVWPNMWYXYXHA-BDAKNGLRSA-N	305.216	1.533	50	20	DDGD	
COCc1ncsc1C(=O)NNC(=O)c1cccc(C)n1	791050857	ZCQVIAPXNCRMSG-UHFFFAOYSA-N	306.347	1.068	50	20	DDGD	
CO[C@H](C(=O)NNc1cc(C#N)cc(Cl)n1)c1cnn(C)c1	798987381	RWMUIKYLFYDVMZ-LBPRGKRZSA-N	320.740	1.171	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cccc(O)c1O	790670408	LDYBCGYUMZBIJK-UHFFFAOYSA-N	302.286	1.181	50	20	DDGD	
CCc1cccc(S(=O)(=O)NNC(=O)c2cccc(C)n2)c1	794599062	AJVXLWVHRSQIBB-UHFFFAOYSA-N	319.386	1.576	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)NCC=C(C)C)cc1	790536569	MEMBMEVAJVLRCJ-UHFFFAOYSA-N	307.350	1.371	50	20	DDGD	
O=C(NNC(=O)c1ncsc1C(F)(F)F)c1ccc[nH]1	792024691	DQIKHCABVIMIGE-UHFFFAOYSA-N	304.253	1.565	50	20	DDGD	
Cc1ccnc(NNC(=O)c2cnnn2-c2cccc(F)c2)c1	790873803	OATQCSBIQADJHT-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
C=C[C@H](COC)NC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	1320300303	BTIJEEGIDBOYIN-LLVKDONJSA-N	321.381	1.289	50	20	DDGD	
C[C@@]1(CNC(=O)Cn2cc(C3CC3)nn2)C[C@H]1Br	1328645910	XWXTZWFNDNXUPX-PWSUYJOCSA-N	313.199	1.445	50	20	DDGD	
Nc1cnnc(NNC(=O)NOC2CCCCC2)c1Cl	1320785678	ITKSGOJJPMGTTB-UHFFFAOYSA-N	300.750	1.603	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)c1ccc(F)c(F)c1	1322070575	CTCVEIFCTWYYFO-SSDOTTSWSA-N	308.288	1.561	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cccs1)Cc1ccsc1	102696414	QROOLSOJEWCYAD-UHFFFAOYSA-N	309.416	1.703	50	20	DDGD	
O=C(O)CCCC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	1327208562	LPCGMSDGNZQNEL-UHFFFAOYSA-N	301.686	1.946	50	20	DDGD	
CN(C)[C@@H]1CCCC[C@@H]1NC(=O)NNc1ccc(C#N)cn1	1331290772	ZLJPOCBLVCQAAZ-QWHCGFSZSA-N	302.382	1.452	50	20	DDGD	
C[C@@H]1CCc2[nH]nc(C(=O)NN=c3cc[nH]cc3Cl)c2C1	1332054104	OLEHREQVUDXXNW-MRVPVSSYSA-N	305.769	1.762	50	20	DDGD	
O=C(NCCc1nc2c(s1)CCC2)NNC(=O)C1CCCC1	1339782559	ATPZRCAFWNZTHK-UHFFFAOYSA-N	322.434	1.695	50	20	DDGD	
CC#CCCCC(=O)NNC(=O)c1cncn1-c1ccccc1	1254970866	JLXSOWVDCSXTTO-UHFFFAOYSA-N	310.357	1.827	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)c1F	1263820104	MKDFLUGTTXNGKP-XXILOJSOSA-N	323.324	1.558	50	20	DDGD	
CSSCCNC(=O)NCc1c(O)nnc(C)c1C	1342492912	WKUKZBIFRKJMCH-UHFFFAOYSA-N	302.425	1.609	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)cn1C	1261527543	UKIJIDMMZIBLKR-UHFFFAOYSA-N	324.340	1.292	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCC(c3ncccn3)CC2)cn1	1348387409	HRPYQQJZZGZJOA-OQLLNIDSSA-N	322.372	1.523	50	20	DDGD	
C[C@H]1CCN(CCNC(=O)NNc2cccc([N+](=O)[O-])c2)C1	1355361934	HWBAPTKAQPCLDS-NSHDSACASA-N	307.354	1.563	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)Nc1ccc2c(C(=O)O)c[nH]c2c1	1601561616	RFRANPQENKBZPM-UHFFFAOYSA-N	311.301	1.832	50	20	DDGD	
O=C(O)[C@H]1C[C@@H]2CC(=NNC(=O)[C@H]3Cc4ccccc4O3)[C@@H]1C2	1601552368	SBPTYQNPKNZXMB-ADGXKJENSA-N	314.341	1.593	50	20	DDGD	
O=C(Cc1ccc(F)cc1F)NNc1ccc(C(=O)O)cn1	1601360779	NZFYOLDQKWUENT-UHFFFAOYSA-N	307.256	1.744	50	20	DDGD	
COCC1(C(=O)NNc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1	1609318913	UPTTUBAYRSDFAJ-UHFFFAOYSA-N	322.756	1.390	50	20	DDGD	
Cc1cn(C(C)(C)C(=O)NNc2ccc(C(=O)O)cc2F)cn1	1600611876	UNOHORJAQCMUBV-UHFFFAOYSA-N	320.324	1.907	50	20	DDGD	
Cc1nccnc1NC(=O)NNc1ccc(F)c(C(=O)O)c1	1600758623	RZKNPZDYLNNVRU-UHFFFAOYSA-N	305.269	1.771	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2C[C@H](C(=O)O)c3ccccc32)cn1	1600946667	OAIRDUFZDNECTB-CYIWUNGXSA-N	322.324	1.542	50	20	DDGD	
O=C(NN=c1cc[nH]c2cccnc12)[C@H]1CCCC[C@H]1C(=O)O	1608484112	KTZCJUIVIGBLIL-WDEREUQCSA-N	314.345	1.386	50	20	DDGD	
CC[C@@H](OC1CCCC1)C(=O)NNc1ncccc1C(=O)O	1603593789	OJDCYFAOQGAMNJ-GFCCVEGCSA-N	307.350	1.961	50	20	DDGD	
COc1nc(C)ccc1C(=O)NNc1cccc(F)c1C(=O)O	1607357806	UXRHUDYLPINOQB-UHFFFAOYSA-N	319.292	1.993	50	20	DDGD	
COCC[C@@H](N)C(=O)NNc1ccc(Br)cc1	1578998425	YAOPAHCPMSMRIL-SNVBAGLBSA-N	302.172	1.256	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)c1ccc2ccccc2c1)C(=O)O	1589056954	UOUWJLOOTZFQBJ-SNVBAGLBSA-N	315.329	1.505	50	20	DDGD	
C[C@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCO1	1588999731	MXIFKVRNPRGHSQ-JOYOIKCWSA-N	302.338	1.125	50	20	DDGD	
C#CCN1CCC(C(=O)NNc2ccc(CC(=O)O)cc2)CC1	1588471284	HVYWRQJTFYBPOZ-UHFFFAOYSA-N	315.373	1.102	50	20	DDGD	
C[C@]1(C(=O)N2CCCC23CN(C(=O)[C@@H](F)Cl)C3)CC1(F)F	1846983828	FOVJKRGVYHPRHB-LDYMZIIASA-N	324.730	1.770	50	20	DDGD	
COCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)CCl	1847435665	MKZZHDAZWGZNFA-RYUDHWBXSA-N	316.829	1.490	50	20	DDGD	
CCCC(=O)N1CCCC12CN(C(=O)[C@H](F)Br)C2	1842658069	BURMXZWCKZWKEA-JTQLQIEISA-N	321.190	1.680	50	20	DDGD	
Cc1cc(NNC(=O)c2c(C)cc(-c3nn[nH]n3)cc2C)ncn1	1592053791	AKBOWUXAQSIRQC-UHFFFAOYSA-N	324.348	1.339	50	20	DDGD	
Cc1cccc(Br)c1NNC(=O)[C@H](C)C(=O)O	1594386197	GNGCRUVKNMSQJW-ZETCQYMHSA-N	301.140	1.921	50	20	DDGD	
Cn1nc(C2CC2)nc1/C(C#N)=C/c1csc(-c2nn[nH]n2)c1	1592596319	PNIWENBWUQVVKP-ONNFQVAWSA-N	324.373	1.998	50	20	DDGD	
N#C/C(=C/C1CC1)C(=O)OCC(=O)c1cccc(-c2nn[nH]n2)c1	1592663006	RYXFUNRMVUVCPF-MLPAPPSSSA-N	323.312	1.453	50	20	DDGD	
Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNc1ccc(Cl)cc1	1591784497	QVLYPLLYSLWPJV-UHFFFAOYSA-N	317.740	1.914	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@H](C)CC(=O)O)c(F)c1	1598984175	HQLVXSIRNCLBSY-QMMMGPOBSA-N	312.297	1.556	50	20	DDGD	
Cn1nc(C(=O)O)cc1/C=C(/C#N)C(=O)NC1CCCCC1	1776133805	SCWVZTJWQQKWLK-YFHOEESVSA-N	302.334	1.474	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@H]1C(=O)NNC(=O)c1cccc(N(C)C)c1	158801558	YJMMDCOKYURAIB-IAQYHMDHSA-N	317.389	1.519	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(C(=O)c2ccco2)CC1	158926016	SCTMPTJCMJDFMR-QXMHVHEDSA-N	303.318	1.008	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)c1cc(-c2ccccc2OC)n[nH]1	151236990	YQEGSTXFIOGHMN-JTQLQIEISA-N	316.361	1.892	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1cccc(OC(F)(F)F)c1	151054144	VVZKTUZLEDOEBI-UHFFFAOYSA-N	305.256	1.938	50	20	DDGD	
CC(C)C1CCC(NC(=O)NNC(=O)c2cnn(C)c2)CC1	152378667	KYUZPDQVVFLTAD-UHFFFAOYSA-N	307.398	1.579	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2ccnc(-n3ccnc3)c2)c1	152310961	PVTAGBGXTAGKNU-UHFFFAOYSA-N	304.313	1.896	50	20	DDGD	
COC(=O)NCC(=O)NNc1ccccc1Br	153608051	MDYOYFNFMDLUJR-UHFFFAOYSA-N	302.128	1.248	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1CCC(=O)C[C@H]1C	154548262	YRKJVBRMHRLCDD-ZYHUDNBSSA-N	304.346	1.462	50	20	DDGD	
COc1ccc(NNC(=O)Cn2c(C)c(C)sc2=O)nc1	159463246	AHWJDCPJSOBVTM-UHFFFAOYSA-N	308.363	1.074	50	20	DDGD	
C[C@@H](CC(=O)NNc1nc2ccccc2c(=O)[nH]1)c1ccncc1	159594709	PMWXPQDELXJQFT-NSHDSACASA-N	323.356	1.955	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1	50081730	NBDSDSGYKQSLLV-QWRGUYRKSA-N	322.365	1.693	50	20	DDGD	
N#Cc1ccc(NC(=O)NNC(=O)c2cccc(C#N)c2)cc1	103502210	NRAACJVJBVLFBB-UHFFFAOYSA-N	305.297	1.896	50	20	DDGD	
CNC(=O)NNC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1	56376488	UQJZMIZMYMTGEL-UHFFFAOYSA-N	322.365	1.536	50	20	DDGD	
CN(NC(=O)c1ccc(-n2cnc3ccccc32)cc1)C(N)=O	179695863	XPGIEBDSUXPDLD-UHFFFAOYSA-N	309.329	1.681	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	172158571	LBNWUTLNFJYAFF-VKKKGTNTSA-N	322.336	1.308	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	66307506	HMWBCUSKKISDIH-NWDGAFQWSA-N	324.352	1.722	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc(Cl)nc(N2CCCC2)c1	112632296	OVYCRACZNCJWEP-UHFFFAOYSA-N	311.773	1.251	50	20	DDGD	
Cc1nc2cc(F)ccc2cc1C(=O)NNC(=O)NC1CC1	64427951	DFHZISFOCGAAHG-UHFFFAOYSA-N	302.309	1.789	50	20	DDGD	
Cc1cc(NNC(=O)CNC(=O)c2ccc(F)cc2)nc(C)n1	172374233	ZYZUFSOLUHJTMX-UHFFFAOYSA-N	317.324	1.106	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@H](O)c2ccccc2)c1	119291776	NIZIBWVQSRMGSH-CYBMUJFWSA-N	302.721	1.783	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC[C@H]1C(=O)NCc1ccco1	178959204	XJUZYMOICLKAQD-GETOMWPZSA-N	317.345	1.331	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Cc1ccc(C#N)cc1	67431000	WOMRYPSTHIYKDK-UHFFFAOYSA-N	309.325	1.571	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)[C@@H]1CCCC[C@H]1C(F)(F)F	404936694	IITQDDZODROTTK-VXGBXAGGSA-N	315.100	1.674	50	20	DDGD	
O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)NNC(=O)NC1CC1	64429364	KUOXJQZQGAEAAX-DAFODLJHSA-N	323.736	1.575	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)C(=O)Nc1ccc(Cl)c(F)c1	123215747	WAZPMRWHKSATSX-UHFFFAOYSA-N	324.699	1.207	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)Nc1ccccc1C)C1CC1	126560619	VIYLGOWWJIAMOO-CYBMUJFWSA-N	306.366	1.756	50	20	DDGD	
CC(C)(C)C(=O)Cn1cc(C(=O)NNc2ccncc2)nn1	180499302	YNUJZTYDFSKZDW-UHFFFAOYSA-N	302.338	1.045	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(N3CCCC3)nn2)nc(C)n1	128701830	UGFFYXSUSYGYLY-UHFFFAOYSA-N	313.365	1.241	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)Cc1cccnc1)C(C)(C)C	73148529	MYUXXYMGJHHVIE-GFCCVEGCSA-N	308.382	1.016	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)Nc1nc(C2CC2)cs1	183227992	CWQWCCRBILZFBU-UHFFFAOYSA-N	306.351	1.139	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NC(C1CC1)C1CC1	124668885	VBCITNJYJXEURS-UHFFFAOYSA-N	317.389	1.722	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)/C=C/c2cccnc2)cc1	123117793	XLTDFMBFLIFHPF-RMKNXTFCSA-N	311.341	1.630	50	20	DDGD	
COc1cc(C)c(NC(=O)C(=O)NNc2ccccn2)cc1F	185586122	UDPPUWCVOYVYJV-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(OC(F)F)n(C)n2)nc(C)n1	186427229	RVDJKHXGCMPTLH-UHFFFAOYSA-N	312.280	1.185	50	20	DDGD	
Cc1cccc(F)c1S(=O)(=O)NNC(=O)Cc1cccnc1	186985386	WVOSTNUFOPJZGG-UHFFFAOYSA-N	323.349	1.081	50	20	DDGD	
CC(C)CNC(=O)N1CCC[C@H](C(=O)NNc2ccncc2)C1	180540143	RDMFJSCNOFKLAN-ZDUSSCGKSA-N	319.409	1.602	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)CO[C@@H](C)CC	127818316	AZUPIJFVCNKTAR-LBPRGKRZSA-N	308.378	1.590	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NNC(=O)c1cc(-c2ccccc2)on1	79391537	FIDAQDZPRXTMEW-FZMZJTMJSA-N	315.329	1.528	50	20	DDGD	
CC(C)(C)Oc1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1	79685675	RILSCGOPSFCBPO-ZDUSSCGKSA-N	306.362	1.804	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CC[C@H](C)OC)cc1	181202519	OJWQGBBCDYEQLZ-LBPRGKRZSA-N	308.378	1.590	50	20	DDGD	
CCO[C@H]1CCCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1	76401986	UUQHHQVGFJYMEY-AWEZNQCLSA-N	323.368	1.088	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@@H]1C[C@H]1c1cccc(Cl)c1	77877884	KBWSEEKBKIMSBA-XQQFMLRXSA-N	323.780	1.705	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NNc2ccnc(F)c2)C1	182485980	ZARMYQPUINUKTR-NEPJUHHUSA-N	322.384	1.949	50	20	DDGD	
Cn1cc(Cl)cc1C(=O)NNC(=O)COCc1ccccc1	186831805	UWOXLHONCIAISD-UHFFFAOYSA-N	321.764	1.656	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C2(Cc3ccccc3F)CC2)cn1	188520595	CLRUWGUFXPASJI-UHFFFAOYSA-N	316.336	1.343	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cccc(C)c2C#N)nc(C)n1	130416060	RCVIFAZUXQEPAW-UHFFFAOYSA-N	324.344	1.355	50	20	DDGD	
CN(NC(=O)CSc1ccc(C(F)(F)F)cn1)C(N)=O	181070659	LJXLVGZWIGPHSP-UHFFFAOYSA-N	308.285	1.234	50	20	DDGD	
C[C@H](OC1CCCCCC1)C(=O)NNc1ncnc2nc[nH]c12	133547294	JYEUPAIPNUCLCH-JTQLQIEISA-N	318.381	1.924	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)Cc2ccsc2)c1	181112328	RDZSGBZTSFRIBI-UHFFFAOYSA-N	310.400	1.837	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccnc(F)c1)NC(=O)c1ccccc1	182531807	VOEFXRYRIQJYLH-NSHDSACASA-N	316.336	1.872	50	20	DDGD	
NC(=O)c1cccc(OCCC(=O)NNc2ccncc2)c1	183009781	GYBVIILIXLNLFW-UHFFFAOYSA-N	300.318	1.093	50	20	DDGD	
CSc1ccc(NC(=O)NNC(=O)c2cc(C)n[nH]2)cc1	183391424	WNQBKKDOJSJMSM-UHFFFAOYSA-N	305.363	1.907	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNC(=O)Cc1cccnc1	87249432	CQWHNHVUZDUAHD-UHFFFAOYSA-N	316.361	1.127	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2cnc3ccccn23)n1	133977216	HPFUHWBUCTYEOU-UHFFFAOYSA-N	303.713	1.117	50	20	DDGD	
CCC1CCN(CC(=O)NNC(=O)Cc2ccccc2C)CC1	136616761	DERGNJYYOXNTBK-UHFFFAOYSA-N	317.433	1.807	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCCc1cc(OC)ccc1OC	139230318	WRNVSMQAQSRVMD-QBFSEMIESA-N	304.346	1.806	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cnn(CC(C)C)c1	133206554	ZOHBGGFSFYKCHK-UHFFFAOYSA-N	305.342	1.486	50	20	DDGD	
O=C(C[C@H]1CCCOC1)NNc1ccc(C(F)(F)F)nn1	193679176	YVEMKZZWNBDYNQ-MRVPVSSYSA-N	304.272	1.755	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)NCC1CCCC1	47014071	QPNBTABYKDXOPI-UHFFFAOYSA-N	309.341	1.725	50	20	DDGD	
O=C(Cc1c(F)cccc1F)NNC(=S)NCC1CCC1	88278820	YDURVTRELLBAMF-UHFFFAOYSA-N	313.373	1.803	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=S)N[C@@H](C)C2CC2)c1	83678452	PDFQJVUPCPBOAT-NSHDSACASA-N	321.446	1.922	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)c1ccc(C#N)cc1)c1ccccn1	144655421	FUJXNBXOSFPDEI-NSHDSACASA-N	309.329	1.658	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccnc1)c1ccc(F)cc1	254821983	VJDAGLHUSYUTPG-UHFFFAOYSA-N	314.320	1.491	50	20	DDGD	
O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1cccs1	254401453	FNICPSFCGHATMM-UHFFFAOYSA-N	312.358	1.552	50	20	DDGD	
CSc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)C2CCC2)c1	264815911	WODOSSORQWTRBO-UHFFFAOYSA-N	309.347	1.878	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CSC[C@H]1C(=O)N(CC)CC	269467687	JXNFKAMINJSSHF-OBIHZWKSSA-N	311.407	1.200	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1cc(C(=O)O)cs1	264066576	FVTQMJDXXMQDCC-UHFFFAOYSA-N	320.392	1.192	50	20	DDGD	
O=C(COc1ccccc1Cl)NNC(=O)[C@@H]1CCCCO1	269350161	KBVDFBWTSTYSTH-LBPRGKRZSA-N	312.753	1.435	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2	269548707	DHUZCSFSROEUCZ-NCXKZPMSSA-N	301.302	1.788	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C2CCC2)c1OC(F)F	264699971	JLKMVABVKPINDL-UHFFFAOYSA-N	314.288	1.858	50	20	DDGD	
CC[C@@H](Oc1ccccc1C)C(=O)NNc1nccn(C)c1=O	267351907	PQFHASSJCKAQCR-GFCCVEGCSA-N	316.361	1.389	50	20	DDGD	
CN(C[C@@H]1COc2ccccc2O1)C(=O)NNC(=O)C(C)(C)C	264559028	ARGZIPFERZLBBU-LLVKDONJSA-N	321.377	1.545	50	20	DDGD	
CCC(C)(C)N[C@@H](C)C(=O)NNc1nc(-c2ccncc2)no1	273263026	TYFONSREHNARIX-JTQLQIEISA-N	318.381	1.741	50	20	DDGD	
CN1CCC([C@@H]2CCN(S(=O)(=O)CCCCCl)C2)CC1	364596799	ZUZCYUDJTUCEDZ-CQSZACIVSA-N	322.902	1.999	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1cccc(NC(=O)C2CC2)c1	272338669	MFLQXZWWTWTHAW-UHFFFAOYSA-N	316.361	1.988	50	20	DDGD	
COCCN1CC[C@H](NC(=O)/C(C#N)=C\c2ccc(O)cc2)C1	278971730	HNHDRALVIXCJPF-LTBFUDJGSA-N	315.373	1.136	50	20	DDGD	
CN(NC(=O)CSCC(=O)c1ccc(Cl)cc1)C(N)=O	272204997	QKCQMGPWWBHLTP-UHFFFAOYSA-N	315.782	1.298	50	20	DDGD	
CN(C)c1ccc(CCC(=O)NNC(=O)c2cccn2C)cc1	279367888	WUQCJPDIGGJPSG-UHFFFAOYSA-N	314.389	1.485	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1ccc(CCN(C)C)cc1	276240058	LTUJQVFPURQTEH-DTQAZKPQSA-N	301.390	1.851	50	20	DDGD	
CC1=CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1	270112741	DJUMHOFSUOLVTC-UHFFFAOYSA-N	318.333	1.008	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)C1(C#N)CCCC1	273112149	BFJUGNSYDDWSSC-SNVBAGLBSA-N	324.381	1.131	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCc1cccc([N+](=O)[O-])c1	270251833	AYYGDCXGJJUTQF-UHFFFAOYSA-N	308.338	1.514	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC[C@@H]1CCOC[C@H]1C	286687669	LPEQWKHPCNEJLE-NEPJUHHUSA-N	321.377	1.312	50	20	DDGD	
Cc1cc(NNC(=O)c2cncc(-c3cnn(C)c3)c2)nc(C)n1	371724313	QOWIHHWNAYXPPL-UHFFFAOYSA-N	323.360	1.646	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1cc(Br)ccn1	285031577	IFEGSUWBFJWKPA-UHFFFAOYSA-N	313.155	1.797	50	20	DDGD	
O=C(NCc1noc2c1CCCC2)NNC(=O)c1ccccc1	288334452	ZTUVRXLKPPCQEL-UHFFFAOYSA-N	314.345	1.698	50	20	DDGD	
CSCC[C@H](O)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	283685661	IDQLVRJNNBRGCX-JTQLQIEISA-N	319.333	1.232	50	20	DDGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NNC(=O)c1ccc(C)s1	285196623	VWNCNAFUFASFBJ-UFBFGSQYSA-N	311.407	1.368	50	20	DDGD	
Cc1cnc(Cl)c(NC(=O)NNC(=O)[C@H]2CCCCO2)c1	297871601	QDYIOGVDLLLLAV-SNVBAGLBSA-N	312.757	1.765	50	20	DDGD	
CCN(CC(=O)NNC(=O)Cc1ccccc1C)C1CCCC1	297916184	QBJWHUUGFKYPCA-UHFFFAOYSA-N	317.433	1.949	50	20	DDGD	
COC(=O)CCCC(=O)NNc1cc(C(F)(F)F)ccn1	295224763	AWZLOXVSNLYEJB-UHFFFAOYSA-N	305.256	1.887	50	20	DDGD	
COc1cc(CC(=O)NNc2ncccn2)cc(OC)c1OC	298267928	BITUPXUQFKLUMD-UHFFFAOYSA-N	318.333	1.188	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1cccnc1F	806273371	AAJOULWJDWKOTK-UHFFFAOYSA-N	319.292	1.069	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1nc(C)oc1C	295413625	NHIYAQCUEBSJDD-UHFFFAOYSA-N	318.333	1.173	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNc2nc(O)c3cnn(C)c3n2)CC[C@H]1C	294964787	PRTDBYVYTCUASF-KXUCPTDWSA-N	318.381	1.584	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cnn(C)c2C)cc1	802061529	VMYANUVXWXXZKH-UHFFFAOYSA-N	303.322	1.204	50	20	DDGD	
C[C@H](Sc1ccccc1C(=O)NNC(=O)CC1CC1)C(N)=O	294104473	JKQPBRCGKYPGHU-VIFPVBQESA-N	321.402	1.214	50	20	DDGD	
COc1cccc(CNC(=O)NNC(=O)CC(C)C)c1OC	298951732	LRIJMHWMPIPPGR-UHFFFAOYSA-N	309.366	1.580	50	20	DDGD	
CCC[C@@H](C(=O)NNC(=O)c1cnn(C)c1)c1ccccn1	806882366	UBSNHSJMMANKHV-GFCCVEGCSA-N	301.350	1.160	50	20	DDGD	
N#Cc1ccc(Cl)c(C(=O)NNc2ncnc3[nH]cnc23)c1	806892799	LRHYBTURQJUZNS-UHFFFAOYSA-N	313.708	1.635	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cccc2nc[nH]c12	807371958	VXXLZIOLNHRJFM-UHFFFAOYSA-N	320.349	1.113	50	20	DDGD	
CC(=O)CCc1ccc(OCCC(=O)NNC(=O)N(C)C)cc1	299319466	GPQDVZZREJPNNJ-UHFFFAOYSA-N	321.377	1.280	50	20	DDGD	
O=C(NNC(=O)C1(O)CCCCC1)Nc1ccc2c(c1)OCO2	802104970	NXPJEHPNVRFWRJ-UHFFFAOYSA-N	321.333	1.263	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccc(O[C@H]2CCOC2)cc1	293910262	GHWWSLVCKYCIMS-LBPRGKRZSA-N	318.308	1.540	50	20	DDGD	
COc1cc(C)ccc1C(=O)NNC(=O)N=c1cc[nH]cc1	802024573	HXDVUMWNZYYVEE-UHFFFAOYSA-N	300.318	1.287	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](Cc2ccccc2)OC)n1	295265896	LFITYUATSQIKOY-CYBMUJFWSA-N	316.361	1.494	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCc1ccc(C[S@](C)=O)cc1	805868731	IXJBRQZDNODOLA-NRFANRHFSA-N	311.407	1.052	50	20	DDGD	
Cn1ncc(CCCNC(=O)/C(C#N)=C\c2ccc(O)cc2)n1	294176611	ZLGFHRWLGRFRHK-LCYFTJDESA-N	311.345	1.177	50	20	DDGD	
CN(C)C(=O)CCCC(=O)NNc1nccnc1C1CCC1	805467234	QBCHZKXEUBFKMJ-UHFFFAOYSA-N	305.382	1.446	50	20	DDGD	
COc1cc(Cl)ccc1C(C)=NNC(=O)CN1CCCC1=O	817323470	ZIRUKNTXDSACKY-UHFFFAOYSA-N	323.780	1.811	50	20	DDGD	
CN(C(=O)C1CC1)c1ccccc1C(=O)NNC(=O)CC1CC1	819114555	LHKNQFLUSCKZNC-UHFFFAOYSA-N	315.373	1.621	50	20	DDGD	
CC(C)c1cc(NC(=O)C(=O)NNc2cccc(Cl)n2)no1	815727035	FKZMORUQCBQADW-UHFFFAOYSA-N	323.740	1.928	50	20	DDGD	
NS(=O)(=O)c1ccc2c(c1)C(=NNC(=O)CC1CC1)CCC2	814986766	LWOBOBHCCSXNEG-UHFFFAOYSA-N	321.402	1.291	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=O)c2ccccc2F)C1	816814537	UNKDGFAFAOSFDP-JOYOIKCWSA-N	316.336	1.676	50	20	DDGD	
CC(=NNC(=O)N(C)C)c1ccc(N2C(=O)CCC2=O)cc1	814219587	ODIYVNSYOCVILJ-UHFFFAOYSA-N	302.334	1.335	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2n[nH]cc2C)o1	814822278	LAOWBSVUJYQQAA-UHFFFAOYSA-N	303.366	1.917	50	20	DDGD	
O=C(COc1ccc(Cl)cc1)NNC(=S)NC1CCC1	814192450	XJLDNJMQWJYTTB-UHFFFAOYSA-N	313.810	1.767	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)COc1ccc(C)c(C)c1	812444468	AKAHGNANLUTGED-KGLIPLIRSA-N	322.405	1.748	50	20	DDGD	
COc1cc(F)c(C(C)=NNC(=O)Cc2cc[nH]n2)cc1OC	814956268	QAOYHANDYKCNRB-UHFFFAOYSA-N	320.324	1.649	50	20	DDGD	
Cn1c(NNC(=O)c2nnc3ccccc3n2)nc2ccccc21	816579580	VTTIFVTZJSUSCO-UHFFFAOYSA-N	319.328	1.668	50	20	DDGD	
COc1cc(C(C)=NNC(=O)CCc2ccccc2O)on1	814840152	HRWSUAGUFLSVGY-UHFFFAOYSA-N	303.318	1.862	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCCO[C@H](C(C)C)C1	815312837	KRXROIIKKJSXFT-KBPBESRZSA-N	313.442	1.315	50	20	DDGD	
Cn1ccnc1[C@H](CC(=O)NNc1ncccn1)C(F)(F)F	816848672	HDLFRVPKHODTGK-QMMMGPOBSA-N	314.271	1.389	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccccc1OC(F)(F)F	816769128	VFMWFKIYUDOWCN-UHFFFAOYSA-N	301.228	1.471	50	20	DDGD	
CCOc1ccc(NNC(=O)C(=O)Nc2ccc(C)nc2)cc1	815816991	XEBNSOWDNUTDBL-UHFFFAOYSA-N	314.345	1.871	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc(Cl)cc1O)C1CC1	727278113	ZCBJGSOELNSXHC-SSDOTTSWSA-N	313.810	1.953	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(C(=O)OCC)cc1	810585294	QIBGYSNKEXLKJU-UHFFFAOYSA-N	307.350	1.607	50	20	DDGD	
CN(C)c1ccc(NC(=S)NNC(=O)[C@H]2CCCO2)cc1	729690698	GXCGJEPJTLVDHU-GFCCVEGCSA-N	308.407	1.249	50	20	DDGD	
CC(C)[C@@H]1C[C@H](C(=O)NNC(=S)Nc2ccccn2)CCO1	829003399	OCJOJRFWQSTBAZ-NEPJUHHUSA-N	322.434	1.850	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CCCc2ccccc21	825541783	NJOKIWGTFSRTPF-CORIIIEPSA-N	317.389	1.819	50	20	DDGD	
COc1ncc(/C=C/C(=O)NNc2ccc(F)cc2F)cn1	492643274	CAUIQOVGXMFMOZ-GORDUTHDSA-N	306.272	1.920	50	20	DDGD	
CCCCNC(=O)NNC(=S)NCCc1cccs1	727697508	CGHUUNORRZZRPK-UHFFFAOYSA-N	300.453	1.769	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNc2ccc(Br)nc2)CCN1C	825818993	OPEQHOBQBUOXGV-PSASIEDQSA-N	313.199	1.627	50	20	DDGD	
CN(C)CCCCC(=O)NNC(=O)c1c[nH]c2ccccc12	729511871	YJACIQMVEHSEIX-UHFFFAOYSA-N	302.378	1.661	50	20	DDGD	
OB(O)[C@H]1CCN(Cc2ccccc2OCc2ccncc2)C1	585077471	VOFHYWATJNKJSQ-INIZCTEOSA-N	312.178	1.709	50	20	DDGD	
Cc1cccc2sc(NNC(=O)CCN3CCOCC3)nc12	828362865	UMPFVETYYIXDHG-UHFFFAOYSA-N	320.418	1.770	50	20	DDGD	
CCN(CCO)NC(=O)Cn1cc(-c2ccccc2)c(C)n1	823879096	DTJVNOSBNULTTD-UHFFFAOYSA-N	302.378	1.204	50	20	DDGD	
COc1cc([C@H](C)NCc2ccccc2B(O)O)ccc1F	585032484	VNIYDMUCMYJCIB-NSHDSACASA-N	303.142	1.365	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	825291009	LLTUNVSVNUJYHP-SNVBAGLBSA-N	304.354	1.515	50	20	DDGD	
O=C(C[C@@H]1CC[C@@H]2C[C@H]12)NNC(=O)c1cccc([N+](=O)[O-])c1	822121684	KEPPBRXBXNHGQZ-NRUUGDAUSA-N	303.318	1.792	50	20	DDGD	
C[C@@H]1[C@@H](C(=O)NN=c2cc[nH]cc2)CCN1C(=O)OC(C)(C)C	492508417	KMAVFVDUMZQJEY-YPMHNXCESA-N	320.393	1.592	50	20	DDGD	
C[C@@H]1C[C@H]1[C@H](NC(=O)c1ccc(B(O)O)cc1)c1ccccc1	584951253	MNRUPIYXEVEORM-CSMYWGQOSA-N	309.174	1.494	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@H](C)C1CCN(C(=O)OC)CC1	492050183	YYTLLNSBLVWBOA-BVRAVYJCSA-N	309.366	1.413	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ncon1	832825930	MAIIGEKCCXEBEH-RQJHMYQMSA-N	306.244	1.199	50	20	DDGD	
C[C@@H](Cc1cccs1)NC(=O)NNC(=O)[C@H]1CCCCO1	836215715	DURSFXDEQCOWMX-CMPLNLGQSA-N	311.407	1.579	50	20	DDGD	
CCCN1CCC[C@H](C(=O)NNC(=O)NCC(F)(F)F)C1	907966475	BIYZHAAEXZWZGX-VIFPVBQESA-N	310.320	1.001	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@]2(Cl)C[C@H]3CC[C@H]2O3)cc1	906460794	WVESFRHQKDVVEX-JMSVASOKSA-N	319.748	1.248	50	20	DDGD	
C[C@@H](Oc1cccc(C=NNC(=O)c2cnn(C)c2)c1)C(=O)O	735411162	OLJVDCUVOMQEQG-SNVBAGLBSA-N	316.317	1.036	50	20	DDGD	
OB(O)c1ccc(CNCc2ccccc2OCC2CC2)cc1	585030381	ZROMBHTXXWJYKF-UHFFFAOYSA-N	311.190	1.445	50	20	DDGD	
C[C@H]1CC=C(C(=O)NNC(=O)Cc2cn3ccccc3n2)CC1	836735406	LSMCPMDUKBFSRA-LBPRGKRZSA-N	312.373	1.771	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@@H]1CCCC[C@@H]1N1CCCC1=O	831352278	WBCMYJSWZZVAPS-NEPJUHHUSA-N	321.356	1.240	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCO[C@H](c3ccccc3)C2)cc1	585036276	HAKZUDXAKPXXHR-ROUUACIJSA-N	311.190	1.376	50	20	DDGD	
CCn1cc(-c2ccc(OS(=O)(=O)CCl)cc2)nn1	831277334	UUIHUDGMGIQLCX-UHFFFAOYSA-N	301.755	1.870	50	20	DDGD	
CO[C@@H](C1CC1)[C@@H](C)NC(=O)NNC(=O)Cc1ccccc1C	836640580	GPMZNSSTIFPTNL-MLGOLLRUSA-N	319.405	1.681	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@@H](C(=O)O)C1)c1ccc(Cl)cc1	833148957	BRPFCLXXZFFNFZ-WDEREUQCSA-N	324.764	1.992	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1cc(Cl)ccc1[N+](=O)[O-]	739412459	BFXQPEDDSQCMMM-UHFFFAOYSA-N	324.724	1.321	50	20	DDGD	
CO[C@H]1C[C@H](NCC(=O)NNC(=O)c2ccc(C)cc2)C1(C)C	831334715	ZKHABECZCDEPHI-KBPBESRZSA-N	319.405	1.159	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@@H]1C[C@H]1c1ccc(F)cc1	836431986	WJHMSXZTFMSALT-MJBXVCDLSA-N	321.352	1.581	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)COc2cccc(C)c2)COC1	836194141	MZYCVHKOMZSUTG-UHFFFAOYSA-N	321.377	1.131	50	20	DDGD	
CO[C@H](C)CCNC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836282091	DFNMTLOCSITCHU-SECBINFHSA-N	324.337	1.176	50	20	DDGD	
Cc1ccn2cc(C(=O)NNc3ccc(Cl)nn3)nc2c1	735688783	USFIIPMRIASYLH-UHFFFAOYSA-N	302.725	1.843	50	20	DDGD	
Cc1nnc(NNC(=O)C[C@H]2CCc3ccccc3C2)nc1O	732574890	GBPWGKRGSJYARB-NSHDSACASA-N	313.361	1.524	50	20	DDGD	
Cc1nc(CC(=O)NN=C2CCCc3nc(N)ccc32)cs1	834926664	UKZVNCWYGYGOPG-UHFFFAOYSA-N	315.402	1.828	50	20	DDGD	
O=C(CCOC[C@@H]1CCCO1)NNc1cnnc2ccccc12	733808905	NAPVBSVEUWXZAT-LBPRGKRZSA-N	316.361	1.659	50	20	DDGD	
C[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)C1CCC(F)CC1	585005567	IZWSOYUQKBWGHR-BMQDGWLCSA-N	311.137	1.152	50	20	DDGD	
CCc1nn(C)c(Cl)c1C=NNC(=O)CCN(CC)CC	734745929	RNDMONDJERHZIO-UHFFFAOYSA-N	313.833	1.818	50	20	DDGD	
C[C@]1(C(=O)OCC(=O)NNC(=O)c2cccs2)CC=CCC1	838186020	XSGVOUUYGSTLJE-HNNXBMFYSA-N	322.386	1.799	50	20	DDGD	
CC(=O)N[C@H](C)C(=O)NNC(=S)Nc1ccc(C)c(C)c1	913434479	XYXLABAKBWURHE-SNVBAGLBSA-N	308.407	1.146	50	20	DDGD	
CN1C(=O)CC[C@@H]1CC(=O)NNc1cc(F)c(F)c(F)c1	830830736	ASTALPBKBAHUET-MRVPVSSYSA-N	301.268	1.558	50	20	DDGD	
Cc1cccc(Cl)c1S(=O)(=O)NNC(=O)C1CCC1	840913652	ZQBUESKEUCAIKL-UHFFFAOYSA-N	302.783	1.758	50	20	DDGD	
CCn1cc(CC(=O)NNc2cccc(C(=O)OC)c2F)cn1	837060677	GVZZRNYEMNPTJS-UHFFFAOYSA-N	320.324	1.515	50	20	DDGD	
Cc1ccc([C@@H](C)C(=O)NNC(=O)CNc2ccccc2)o1	743292571	ANRMFDLSOVMGHQ-GFCCVEGCSA-N	301.346	1.951	50	20	DDGD	
CC(=NNC(=O)C1CC1)c1cccc(S(=O)(=O)N(C)C)c1	915941693	WQNPQEQGJZCEMR-UHFFFAOYSA-N	309.391	1.187	50	20	DDGD	
COC(=O)NNC(=O)Nc1cccc(CN2CCOC2=O)c1	915689793	DUOMCNQVCXHBEV-UHFFFAOYSA-N	308.294	1.031	50	20	DDGD	
CCc1c(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cnn1CC(C)C	843663923	ZNOBSKFKQXZDHM-NEPJUHHUSA-N	322.409	1.288	50	20	DDGD	
C#CCOc1ccc(C(C)=NNC(=O)[C@H]2CCO[C@H]2C)cc1	842552076	HBZWSPJYEHIRFN-BBRMVZONSA-N	300.358	1.964	50	20	DDGD	
NCCCC(=O)NNC(=O)Nc1ccc(OC2CCCC2)nc1	841100539	HDCQBVWWHOSSBG-UHFFFAOYSA-N	321.381	1.295	50	20	DDGD	
COc1ccc(COCC(=O)NNC(=O)c2ccc[nH]2)cc1	916131888	PPRYINQBEMUCCC-UHFFFAOYSA-N	303.318	1.001	50	20	DDGD	
CCc1ccc([C@@H](C)C(=O)NNc2nccn(C)c2=O)cc1	747942237	PIYGTLJCGVFXLA-LLVKDONJSA-N	300.362	1.590	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2c(c1)OCCCO2	843647878	ORLIVXLLRQZGOZ-CMPLNLGQSA-N	320.345	1.034	50	20	DDGD	
C[C@]1(C(=O)NC[C@H]2CC[C@H](C(N)=O)CC2)C[C@H]1Br	911175836	JGMJQSJUVNXTQC-PRFIWBCESA-N	317.227	1.568	50	20	DDGD	
CCC(=O)N1CCC[C@H](C(=O)NNc2ccc(Cl)nc2)C1	743816086	NEQGLGDSXPQKNS-JTQLQIEISA-N	310.785	1.827	50	20	DDGD	
CCC(N)(CC)CNC(=O)NNC(=O)Cc1ccccc1OC	841952369	QXOXMUUUNNWUAD-UHFFFAOYSA-N	322.409	1.086	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NN=Cc2cnn(C)c2)c1C	917212263	XDCAWTJKSRJYKV-CYBMUJFWSA-N	300.362	1.955	50	20	DDGD	
Cc1cn2c(C=NNC(=O)N3CCOCC3)c(C)nc2s1	745591371	XHWSZJUUPNXRTK-UHFFFAOYSA-N	307.379	1.388	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NNC(=O)COc1ccc(F)cc1	746096093	OZRKNGYDCDFSBH-VXGBXAGGSA-N	323.368	1.225	50	20	DDGD	
Cc1cc(C)c(NNC(=O)C[C@H]2CCS(=O)(=O)C2)c(C)c1	743765085	XFCJZUIZVVZEDX-CYBMUJFWSA-N	310.419	1.880	50	20	DDGD	
COC1(OC)CC(NC(=O)c2c(C)nn(CCCl)c2C)C1	911032661	ATNHKWKNTXSLMP-UHFFFAOYSA-N	315.801	1.620	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H]2CCCNC2)c1	841925911	IINFWSOOQFUCGG-LLVKDONJSA-N	306.366	1.099	50	20	DDGD	
O=C(O)CCCCCNC(=O)NNC(=O)CCc1ccccc1	840992244	SIOGJEATOQAAEY-UHFFFAOYSA-N	321.377	1.595	50	20	DDGD	
CCN[C@H](C)CNC(=O)NNC(=O)Cc1ccc(Cl)cc1	841984780	HVWVMVNCRISBAF-SNVBAGLBSA-N	312.801	1.211	50	20	DDGD	
O=C(NCC1CC1)NN=C1CCN(Cc2ccccc2)C1=O	743435861	NKUOAEQRYAUCKI-UHFFFAOYSA-N	300.362	1.484	50	20	DDGD	
Cc1cncc(C(=O)NNC(=O)Cn2cnc3ccccc32)c1	742472563	RDFKQUUNLYLKIS-UHFFFAOYSA-N	309.329	1.201	50	20	DDGD	
CCC(CC)(CO)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	847305255	FBHIOLVLYPLBLN-UHFFFAOYSA-N	322.361	1.018	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1ccc(F)nc1	746166913	KRCBWRDFHLFKOE-UHFFFAOYSA-N	308.338	1.469	50	20	DDGD	
CC(C)(C)OC(=O)NC1(CC(=O)NNC(=O)C2CC2)CCC1	746816097	LFLUEHPXBUCTRK-UHFFFAOYSA-N	311.382	1.381	50	20	DDGD	
Cc1nc(C)c(CNC(=O)NNC(=O)Cc2cccnc2)s1	743588569	CRKCVAXJNGPWDA-UHFFFAOYSA-N	319.390	1.228	50	20	DDGD	
CC(C)(C)C[C@@H]1C[C@H]1NC(=O)NNC(=O)Cc1ccncc1	845383865	ALPIWXCZMWGZGK-QWHCGFSZSA-N	304.394	1.779	50	20	DDGD	
NS(=O)(=O)c1ccc(C(=O)NNc2ccccc2Cl)o1	748317474	BRBWRNHWRCEWEI-UHFFFAOYSA-N	315.738	1.337	50	20	DDGD	
C[C@H](OC1CCCCCC1)C(=O)NNC(=O)c1ncccn1	841350588	NQSLXZADFIWTMY-NSHDSACASA-N	306.366	1.366	50	20	DDGD	
Cc1nn(C(C)C)cc1C(=O)NNC(=O)c1ccc(Cl)nc1	847351567	XIGJVLYEHKGXTH-UHFFFAOYSA-N	321.768	1.896	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)[C@H]1CCCS1	848321640	ZJSGCHFWBAIMDM-SSDOTTSWSA-N	303.185	1.578	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=S)Nc1ccccc1OC	740177245	MPGRFKOJUGUSBS-UHFFFAOYSA-N	320.374	1.877	50	20	DDGD	
CCOc1ccc(C(=O)NN=C(C)c2ccn(C)n2)cc1OC	841611961	DFHUHMZHYNLFDN-UHFFFAOYSA-N	316.361	1.981	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(C(F)(F)F)o1	843655438	JTYWIZPYKVRIGJ-JGVFFNPUSA-N	320.267	1.793	50	20	DDGD	
C[C@@H](Cc1ccc(C#N)cc1)C(=O)NNc1ccnc(N(C)C)n1	848370898	CIBIQYCEJHYQGV-LBPRGKRZSA-N	324.388	1.736	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccccc1OC(F)F	843650166	ZLVPJFIBBWGQLK-DTWKUNHWSA-N	314.288	1.474	50	20	DDGD	
CC/C=C(\C)C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	920508367	SXDPDHMBAIBZNT-LFYBBSHMSA-N	304.346	1.656	50	20	DDGD	
Cc1csc([C@H](C)C(=O)NNC(=O)OCC(F)(F)F)n1	856019589	YAXBNIVOHRVJOG-ZCFIWIBFSA-N	311.285	1.875	50	20	DDGD	
C[C@]1(CNC(=O)NOC[C@@H]2CCOC2)C[C@@H]1Br	856851367	FEURTQHRBBPGKZ-WCABBAIRSA-N	307.188	1.427	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)Nc2cnns2)cc1	755347956	YIHJWUGIBBERDN-UHFFFAOYSA-N	321.362	1.332	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCc2c(C)nn(C)c2C)c1	858275839	XJLNFGRLAKMUMA-UHFFFAOYSA-N	321.406	1.551	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)NC[C@H]1COCO1	923843478	LEVBYZDQQXEENM-QMMMGPOBSA-N	315.761	1.252	50	20	DDGD	
CCC(=NNC(=O)C(=O)Nc1ccc(C)cc1)c1ccn(C)n1	758110632	UYXKQEOLIGNUCS-UHFFFAOYSA-N	313.361	1.598	50	20	DDGD	
CO[C@]1(C)C[C@H](N(C)CC(=O)NNC(=O)C(C)(C)C)C1(C)C	752302217	MVRUTTXYEZKFLK-MEDUHNTESA-N	313.442	1.315	50	20	DDGD	
COCCN1CC[C@@H](NC(=O)NNc2cc(F)ccc2C)C1	853766614	CWDPLGVPWNDMEV-CYBMUJFWSA-N	310.373	1.481	50	20	DDGD	
CC(=O)NNC(=O)c1cc(O)nc2c(Br)cccc12	750229269	CFNFNSFSWUTFAE-UHFFFAOYSA-N	324.134	1.484	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNc2cccc(C(=O)OC)c2C)C1	854140981	PHMGTDHRXHRJCJ-TXEJJXNPSA-N	321.377	1.975	50	20	DDGD	
C[C@@H](C(=O)NN=c1sc2ccccc2n1C)[C@H]1CCC(=O)N1	858279760	RGZVSVXABJETPE-NXEZZACHSA-N	318.402	1.086	50	20	DDGD	
O=C(NN=C1CC(=O)N2CCCC[C@H]12)c1cccc(Cl)n1	853410483	OVIHQYKIBAWHQO-LLVKDONJSA-N	306.753	1.606	50	20	DDGD	
COC(=O)c1cc(NNC(=O)Cc2c(C)n[nH]c2C)ccc1C	857267598	JZDMRCHLXUKUCX-UHFFFAOYSA-N	316.361	1.807	50	20	DDGD	
Cn1c(=NNC(=O)NCCOCCF)sc2ccccc21	852715265	FUKMRVFIQRZVML-UHFFFAOYSA-N	312.370	1.341	50	20	DDGD	
O=C(NNC(=O)c1cn[nH]c1)N[C@H]1CCCCC12CCCC2	858479500	SUHDNNYOIYBNAV-LBPRGKRZSA-N	305.382	1.857	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)OCC(=O)N(C)C2CC2)c1	920512704	YZIHPWFASARJSY-MDWZMJQESA-N	314.341	1.766	50	20	DDGD	
CC(C)(C)c1n[nH]cc1C(=O)NNC(=O)OCC(F)(F)F	856019369	STJFXPQEAHKJFK-UHFFFAOYSA-N	308.260	1.641	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)[C@@H]1CC12CCC2	855831966	OKSVYHBFCJUNKE-NSHDSACASA-N	309.410	1.267	50	20	DDGD	
O=C(NNc1c(F)cccc1F)N[C@@H]1CCCS(=O)(=O)C1	758651058	SAFNOANMGBWKIZ-MRVPVSSYSA-N	319.333	1.168	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cccc([N+](=O)[O-])c1N)C1CC1	855098390	GZLRFIHTBKXTNJ-SSDOTTSWSA-N	323.378	1.084	50	20	DDGD	
CN(NC(=O)c1cc2c(cc1Br)OCO2)C1CC1	857293122	OUCIDVQUTLGTIU-UHFFFAOYSA-N	313.151	1.917	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)CC(=O)NNC(=O)CC(F)(F)F	754230191	UBANSUSAMWSPHV-LURJTMIESA-N	307.272	1.885	50	20	DDGD	
O=C(NNC(=O)C1CSC1)c1ccc(Br)s1	864516729	NMGXLGBQCGXVFJ-UHFFFAOYSA-N	321.221	1.635	50	20	DDGD	
CO[C@@](C)(C(=O)NN[C@@H](C)C(F)(F)F)C(=O)OC(C)(C)C	862322088	HMHDFLDJALRQGT-CPCISQLKSA-N	314.304	1.305	50	20	DDGD	
N#Cc1cccc(OCC(=O)NNc2nc3ccccc3[nH]2)c1	768514174	BAOXBUSDFHODCJ-UHFFFAOYSA-N	307.313	1.957	50	20	DDGD	
C[C@@H](NNC(=O)Cc1ccc(-n2cnnc2)cc1)C(F)(F)F	862321976	CWEHXAYGIRHMBP-SECBINFHSA-N	313.283	1.381	50	20	DDGD	
C[C@@H](C(=O)NNc1nccnc1C1CCC1)[C@@H]1CCC(=O)N1	861703091	FTFICDNPXASPBU-KOLCDFICSA-N	303.366	1.102	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1CCN1C1CCCC1	862466934	SJCYFJAGOSFMBA-AWEZNQCLSA-N	317.389	1.473	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)Cc2cc(C)[nH]n2)c(F)c1	767407865	NFORGFOPERLISZ-UHFFFAOYSA-N	304.325	1.949	50	20	DDGD	
CN(NC(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1)C(N)=O	860516512	CPORHHYNHIXSKC-GFCCVEGCSA-N	310.785	1.346	50	20	DDGD	
O=C(NNc1cnccn1)C(=O)Nc1ccc(OC(F)F)cc1	766259884	GBUNRULRQHHTCG-UHFFFAOYSA-N	323.259	1.160	50	20	DDGD	
CC(=O)NCCCCCC(=O)NNc1cc(C#N)cc(Cl)n1	769064087	OFQKDQGZZUCDBM-UHFFFAOYSA-N	323.784	1.746	50	20	DDGD	
C[C@@H]1N(C(=O)NNC(=O)c2ccc(C#N)cc2)CCOC1(C)C	763603182	GLACKPSRVQUOGN-NSHDSACASA-N	316.361	1.412	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)c1ccc([N+](=O)[O-])[nH]1	766679420	XKGCVCMXBPBCTF-UHFFFAOYSA-N	304.291	1.685	50	20	DDGD	
O=C(OCCOCCO)[C@@]12CC[C@@H](C[C@@H]1Br)C2	869460652	RSAYHAMTDMYKDW-JBLDHEPKSA-N	307.184	1.492	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)N[C@@H]1CCc2n[nH]cc2C1	767116029	PFPCYMUXFHQWND-SECBINFHSA-N	306.757	1.642	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1Cc2ccccc2[C@H](C(=O)OC)C1	863571020	OUMLMKJARFMJKH-HFBDAHEESA-N	314.341	1.729	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1ccc(F)cc1O	863097075	CYWHNSCCZCWVAG-UHFFFAOYSA-N	302.174	1.963	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@H]1c1ccc(COC)o1	767933593	IZFXLDRUJUFHNQ-YPMHNXCESA-N	323.393	1.509	50	20	DDGD	
CC[C@@H](OC1CCCCC1)C(=O)NNC(=O)Cc1cc(C)[nH]n1	869013753	IFUBGRUZHXYFMU-CQSZACIVSA-N	322.409	1.536	50	20	DDGD	
COC(C)(C)CCNC(=O)NNC(=O)c1c[nH]c2ccccc12	868988535	FPHYSZZTLUKAGH-UHFFFAOYSA-N	318.377	1.927	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])C1(F)CCOCC1	867912469	NYKIQTBVYJXSFB-UHFFFAOYSA-N	301.249	1.696	50	20	DDGD	
CCc1ccc(F)cc1C(=O)NNC(=O)Cc1cc(C)[nH]n1	869018473	KXAMXNGGAAXMNX-UHFFFAOYSA-N	304.325	1.423	50	20	DDGD	
CC[C@H]1Cc2ccccc2CN1CC(=O)NNC(=O)C1CC1	767885273	YHBVPTIHKSVOEC-HNNXBMFYSA-N	301.390	1.381	50	20	DDGD	
CCCS(=O)(=O)CC(=O)NNc1ccc(F)c(Cl)c1	863080050	LEFOYNGJJRLAKQ-UHFFFAOYSA-N	308.762	1.747	50	20	DDGD	
CCCOc1ccc(NC(=O)NNC(=O)c2cc[nH]n2)cc1C	861622666	PUIFSFJUQCQJHG-UHFFFAOYSA-N	317.349	1.973	50	20	DDGD	
CCc1c(C(=O)NN=c2cc[nH]c(C)c2)cnn1CC(C)C	862514651	RWUARRAJTQAURF-UHFFFAOYSA-N	301.394	1.984	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@@H](C(F)(F)F)C1	761047794	XBCNQULYECYMBN-VHSXEESVSA-N	309.332	1.453	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc2occc2c1	861546571	DGQNMVDONOICSG-JTQLQIEISA-N	321.333	1.637	50	20	DDGD	
O=C(CN1CCC(NC(=O)CCl)CC1)Nc1ccccc1	1116437608	JUOAZGJRSGHCJV-UHFFFAOYSA-N	309.797	1.445	50	20	DDGD	
CCOc1ccccc1NC(=O)C(=O)NNC(=O)C1CCCC1	764068264	IRMRETHWWWZEKT-UHFFFAOYSA-N	319.361	1.361	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNC(=O)CC2CC2)cc1C	764143955	YRADYWIDVSJRHI-UHFFFAOYSA-N	303.362	1.443	50	20	DDGD	
CCC(=NNC(=O)COCCOC)c1cc(C)ccc1OC	872401405	SXVUOSMIVYZZBD-UHFFFAOYSA-N	308.378	1.897	50	20	DDGD	
CCC1(C(=O)NNC(=O)c2nc3ccccc3s2)COC1	874913162	GIWNLBZJMFERIY-UHFFFAOYSA-N	305.359	1.484	50	20	DDGD	
Cn1ccc(NNC(=O)[C@]2(C(=O)OC(C)(C)C)CC2(C)C)n1	1118827990	SYDHDLOLSTXYBA-HNNXBMFYSA-N	308.382	1.621	50	20	DDGD	
COC[C@@H](C)NC(=O)NNC(=O)COc1ccc(C)c(C)c1	770324402	JVBQDKZKVKPAFU-GFCCVEGCSA-N	309.366	1.048	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C1(C#N)CCCCC1	772041184	BGPYLKWYFMYAED-GFCCVEGCSA-N	323.393	1.586	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)/C=C/[C@H]2CCOC2)c1	873776897	IEBJKWDCTWZEKJ-FYJFLYSWSA-N	305.403	1.905	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1F)[C@H]1CCCS1(=O)=O	871270167	LRBHLUHTXRWQBZ-SNVBAGLBSA-N	306.746	1.499	50	20	DDGD	
CN(C)c1ccc([N+](=O)[O-])c(OS(=O)(=O)CCCCl)c1	881962890	OBSLPJWWVUAEFQ-UHFFFAOYSA-N	322.770	1.998	50	20	DDGD	
CC(C)S(=O)(=O)c1cccc(C(=O)NNc2cccnn2)c1	771468250	GKHPATSTSSAVQD-UHFFFAOYSA-N	320.374	1.416	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(Cl)ncc1C	1119966986	XHAVQFUTNXLMCW-UHFFFAOYSA-N	318.855	1.515	50	20	DDGD	
COCCCOc1cccc(NC(=O)NN(C)C(=O)OC)c1	878885290	BRBWWLVJJVMXLJ-UHFFFAOYSA-N	311.338	1.837	50	20	DDGD	
Cc1cc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)c(C)n1C	771875839	VENFHICFZWCMAR-GFCCVEGCSA-N	323.393	1.381	50	20	DDGD	
COC(=O)C(=O)NN=Cc1cc(Cl)cc(Cl)c1OC	1116198334	QKWVDDXTMUSFKR-UHFFFAOYSA-N	305.117	1.625	50	20	DDGD	
COc1cccc(C(=O)NNc2cccc(S(C)(=O)=O)c2)n1	776531441	YJZHEWASCKKGKV-UHFFFAOYSA-N	321.358	1.251	50	20	DDGD	
CC[C@H](C)n1nc(C(=O)NNC(=O)Cc2cccnc2)cc1C	777980478	DALKSPCSKDJQOI-NSHDSACASA-N	315.377	1.561	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H](C(C)C)N(C)C)c1	873774265	IPZVURBVTUMRCQ-CYBMUJFWSA-N	308.451	1.899	50	20	DDGD	
Cn1cccc1C=NNC(=O)C(=O)NCc1ccc(Cl)cc1	771566810	AOKZRWVMJOSMDG-UHFFFAOYSA-N	318.764	1.445	50	20	DDGD	
C=C[C@H](O)C(=O)NNC(=S)Nc1ccc(CCCC)cc1	873781822	CPSVUXJFTNXGCN-ZDUSSCGKSA-N	307.419	1.894	50	20	DDGD	
Cn1cc(C(=O)NNc2c(F)cccc2Cl)c(O)nc1=O	770197194	QEOIPOARKQKREH-UHFFFAOYSA-N	312.688	1.035	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@@H]1CCCc2occc21	883135217	YPEZFMPPHBLOMO-GFCCVEGCSA-N	307.350	1.414	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2ccccc2)cc(OC)c1	775530203	VUXFPWQKLAHEKL-UHFFFAOYSA-N	315.329	1.786	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)Cc1ccccc1F	772139904	ODWSJNWBWWQKGY-QWRGUYRKSA-N	324.352	1.493	50	20	DDGD	
CC[C@H]1CO[C@H](C)CN1CC(=O)NNC(=O)c1cccc(C)c1	777554718	GOXHPFIXOSZMRC-HIFRSBDPSA-N	319.405	1.255	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCCC2)NNC(=O)C1CCOCC1	883059666	GVGXVDAYQCZFMN-UHFFFAOYSA-N	316.401	1.682	50	20	DDGD	
CC(C)n1cc([C@@H](C)NC(=O)NNC(=O)C2CCOCC2)cn1	883402374	OUKXVWKRQRTQPH-LLVKDONJSA-N	323.397	1.282	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cnc(-c2ccco2)s1	883063713	ZMJSTYYHXPXXKG-UHFFFAOYSA-N	321.358	1.591	50	20	DDGD	
COc1nn(C)cc1C(=O)NNc1ncnc(Cl)c1C(C)C	883971909	RMMRJBUTNGRZMC-UHFFFAOYSA-N	324.772	1.752	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H]2CCCc3sccc32)nc1O	771539665	FKTWDMLMAQGHQX-SECBINFHSA-N	305.363	1.510	50	20	DDGD	
COC(=O)[C@]12CCC[C@H]1CN(S(=O)(=O)CCCCl)C2	882638746	DVAGPDNNKAMSSH-JQWIXIFHSA-N	309.815	1.220	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1ccc(F)c(F)c1)C(C)C	885110839	MNHPFCQHEOPFKT-NSHDSACASA-N	301.293	1.789	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2cccc(C)n2)c1	887695317	PIEPMJXYGOWPOH-UHFFFAOYSA-N	313.357	1.847	50	20	DDGD	
CCc1cnccc1[C@@H](C)N[C@H](C)C(=O)NNC(=O)CC(C)C	783017173	PWCBYDGZFOSWPQ-CHWSQXEVSA-N	320.437	1.877	50	20	DDGD	
CC(C)(O)CCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	786641874	VXFGZMNBOYZJOG-UHFFFAOYSA-N	308.422	1.901	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)CCNC(=O)c1ccco1	788190778	NYCIBDAGFWDBKU-UHFFFAOYSA-N	321.308	1.691	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H](C)OC[C@H]2CCCO2)cc1O	882049002	WBYDPRAPCYXVTL-WCQYABFASA-N	322.361	1.046	50	20	DDGD	
CC(C)NC(=O)CCNC(=O)[C@H](Br)C(C)(C)C	781076029	ZWCRXSJQQCMIHU-JTQLQIEISA-N	307.232	1.827	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCCO[C@H]1CCOC1	885737707	LXPAXUIIXMIBGB-CTXBLAANSA-N	304.321	1.654	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCC1(C(N)=O)CCCC1	781091129	GNNVNCDXUIHWOA-VIFPVBQESA-N	319.243	1.958	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccc(C#N)cn1)N1CCC[C@@H](C)C1	887705377	NBYQBENPIXEKRY-OLZOCXBDSA-N	316.409	1.700	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@H]1CCCN1C1CC1	787283010	LSRGWCSAQZXGDT-OAHLLOKOSA-N	301.390	1.393	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@H]1CO[C@@H](C)C1	784143709	HEQPJYPVQOSZRF-VHSXEESVSA-N	309.391	1.438	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2c[nH]c3ccccc23)CCCOC1	781143919	ZLAYDKZCLHOBHS-MRXNPFEDSA-N	301.346	1.746	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2cccnc2Cl)c(O)n1	784842115	KCCNBNYBYMKUBG-UHFFFAOYSA-N	321.724	1.226	50	20	DDGD	
COC[C@H](Cc1ccccc1)NS(=O)(=O)CBr	782464422	PKOUGOQHDVOLMX-NSHDSACASA-N	322.224	1.516	50	20	DDGD	
CC(C)n1ccc(NC(=O)C(=O)NNc2ccc(F)cc2)n1	796989095	NYPMPTFCTQODKH-UHFFFAOYSA-N	305.313	1.685	50	20	DDGD	
CCc1occc1C(=O)NNC(=O)COc1ccccc1F	797608454	GJHUBBKHCGSOMA-UHFFFAOYSA-N	306.293	1.821	50	20	DDGD	
COc1cccc(C=NNC(=O)CNC(=O)c2cccs2)n1	790165126	JYUFXPBYMOIDSY-UHFFFAOYSA-N	318.358	1.032	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1ccc2c(c1)CCC2	792380438	UNCZKARSHWGZKY-UHFFFAOYSA-N	310.357	1.961	50	20	DDGD	
CC[C@@](C)(OC)C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1	795181382	NVFZKMAZGMMBFD-CQSZACIVSA-N	322.390	1.714	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(C)c1	794888552	JPZQNGVITGHGFU-ZDUSSCGKSA-N	308.403	1.660	50	20	DDGD	
CSSCCNC(=O)NC[C@@H]1CCCN(C(C)=O)C1	790849132	ZCFVMHVAQZAMNO-NSHDSACASA-N	305.469	1.555	50	20	DDGD	
CCOC(=O)[C@H](CC)S[C@@H](C)C(=O)NNC(=O)CC(C)C	794429408	WAIMKOGGMRCNKW-QWRGUYRKSA-N	318.439	1.643	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2Cl)CCN1C	1318836019	GXRPHNVKHUFKRH-WDEREUQCSA-N	324.812	1.767	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N2CCOCC2)c(C)n1CC1CC1	1318504576	ZIPPGGODEAYKQI-UHFFFAOYSA-N	320.393	1.202	50	20	DDGD	
N#Cc1cnc2ccccc2c1N1CCN(C(=O)CCl)CC1	1319682993	UFFIJCITGSHOSJ-UHFFFAOYSA-N	314.776	1.994	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2cc3c(cn2)OCCC3)c1	1319997376	MDDPASOPDKFISM-UHFFFAOYSA-N	322.324	1.353	50	20	DDGD	
C[C@@]1(CO)CN(C[C@H](CBr)C2CC2)C[C@]1(C)CO	701852622	BXRQIJRQIXTVCJ-MELADBBJSA-N	320.271	1.720	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H]1c2ccccc2CCC[C@H]1C	1321192907	LWAQNJGRYAVKEM-MFKMUULPSA-N	319.361	1.204	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1)C1CC1	1329258367	RAFRBODBNINWDY-IINYFYTJSA-N	324.352	1.556	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)[C@@]1(F)CCOC1	1322850411	MSUBPVYQULNFNX-QGZVFWFLSA-N	316.332	1.658	50	20	DDGD	
C=C[C@H](COC)NC(=O)NNC(=O)COc1ccccc1CC	1320605595	RYUZUDKXCPRYFY-CYBMUJFWSA-N	321.377	1.159	50	20	DDGD	
C[C@H]1[C@@H](C(=O)NNc2ccn(C)n2)CCN1C(=O)OC(C)(C)C	1325385965	NUOMWZJVGRNRQR-QWRGUYRKSA-N	323.397	1.509	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H](OCC)C2CC2)nc1C	1329966123	NVOIIANINNJPHJ-LBPRGKRZSA-N	322.365	1.220	50	20	DDGD	
CC(=O)N1Cc2ccc(NC(=O)NNC(=O)CC(C)C)cc2C1	1320258622	KGUATVWMVDRZIV-UHFFFAOYSA-N	318.377	1.748	50	20	DDGD	
Cc1nnc(CNC(=O)NC[C@@]2(C)C[C@@H]2Br)n1C	1334646220	CJCSVJSFFZERMK-GZMMTYOYSA-N	316.203	1.096	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)C[C@H]2CC[C@H]1C2	1331298606	WCJHXJNEKGYWMV-PSVSLLHZSA-N	316.405	1.876	50	20	DDGD	
COc1cc(OC)c(C=NNC(=O)C2CCOCC2)c(OC)c1	1333665316	ROTCIMJYGMCDIJ-UHFFFAOYSA-N	322.361	1.589	50	20	DDGD	
CCn1nc(C)c(CNS(=O)(=O)CCCCCl)c1C	780767348	PWJAYDPSVYTMTQ-UHFFFAOYSA-N	307.847	1.958	50	20	DDGD	
O=C(NNC(=O)c1cnc[nH]1)c1ccc(Br)cc1	1251472542	VYPLNDGMMADUCL-UHFFFAOYSA-N	309.123	1.247	50	20	DDGD	
CCOC(=O)NCCC(=O)OC[C@]1(C)C[C@H]1Br	1263537507	SDNOPWIZISWIHZ-KCJUWKMLSA-N	308.172	1.839	50	20	DDGD	
Cc1ccc(C(=O)NNc2cnnn2C)c(Br)n1	1261246019	YLYFCVLNYOBFPH-UHFFFAOYSA-N	311.143	1.038	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)C1CCNCC1)[C@@H]1C[C@H]2CC[C@H]1C2	1345130219	TVCHXQMKFHARDI-IMIFBBOLSA-N	308.426	1.141	50	20	DDGD	
CCOC(=O)c1cnc(C)c(C(=O)NNC(=S)NC(C)C)c1	1341473171	HYUPBTSSEGDRMQ-UHFFFAOYSA-N	324.406	1.084	50	20	DDGD	
Cc1cccnc1[C@H](C)NC(=O)NNC(=O)CC(F)(F)F	1263770529	IEEOYIFQQDSNSD-QMMMGPOBSA-N	304.272	1.734	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1c[nH]c(Br)c1	1251865920	CGAKAQXBMRRWSC-UHFFFAOYSA-N	304.144	1.947	50	20	DDGD	
O=C(Cn1cc(C(=O)O)c2ccccc21)NNc1ncccn1	1601378078	MDTPDNNBRYEWHJ-UHFFFAOYSA-N	311.301	1.273	50	20	DDGD	
Cc1nc(CC(=O)NNc2ncccc2C(=O)O)c(C)s1	1605402794	IZPYKTGCHIDZOY-UHFFFAOYSA-N	306.347	1.539	50	20	DDGD	
CC[C@@H](C(=O)O)C(=O)NNC(=O)c1ccc2ccccc2c1	1604879087	ZVIFAPXWVGHMKO-CYBMUJFWSA-N	300.314	1.712	50	20	DDGD	
Cc1cc(C(=O)O)c2c(O)nc(SC/C=C/C#N)nc2n1	1600106303	KGMSEQMPOLDWHH-NSCUHMNNSA-N	302.315	1.909	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@@H]1C(=O)NN=C1COCC1(C)C	1549312246	BAYXSPVRTOFRQR-FZMZJTMJSA-N	320.393	1.416	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@H](C)CC(=O)O)cc1C	1610023819	MGOSUQQVRCLZPQ-SNVBAGLBSA-N	308.334	1.726	50	20	DDGD	
C[C@@H]1OCC(=NNC(=O)[C@@H]2CCCO[C@@H]2c2ccnn2C)[C@H]1C	1549312678	CDDGOEJKSCTXPG-OHTBPHCPSA-N	320.393	1.415	50	20	DDGD	
CC[C@@H](NC)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	1577171931	CCSXZGWZBYQFSM-MWLCHTKSSA-N	309.435	1.632	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C2(CN)CCCC2)c1	1574165463	JVTPRWYUZZBLCE-UHFFFAOYSA-N	305.378	1.040	50	20	DDGD	
CC(C)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl	1847562325	BIXFSOZCYFJDIG-RWMBFGLXSA-N	316.829	1.224	50	20	DDGD	
NC[C@H]1CCCc2ccc(C(=O)NNC(=O)[C@H]3CCCO3)cc21	1580264158	GDGAQFKEYQPPDJ-UKRRQHHQSA-N	317.389	1.005	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)OC)C1	1846401660	PAGCGXWMVZHTTD-NEPJUHHUSA-N	316.829	1.632	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1C[C@@H](O)C[C@@H](C(=O)O)C1	1589700129	UCKFXWZYJZQALB-HRDYMLBCSA-N	322.199	1.090	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc(/C=C\C(=O)O)o2)n1	1599394140	CDZFVFJNGUKIFH-XQRVVYSFSA-N	318.289	1.241	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCCOC	1847476887	UPXMNQCNYPDOJE-AVGNSLFASA-N	316.829	1.632	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNc1ccc(CC(=O)O)cc1	1598841476	YDCZVPWYNROXRS-SNVBAGLBSA-N	308.334	1.346	50	20	DDGD	
CCOc1cc(C(=O)O)ccc1NC(=O)NN(C)CCOC	1597020381	IGBOKDLUOCWXFB-UHFFFAOYSA-N	311.338	1.398	50	20	DDGD	
CCc1cccc(OCC(=O)NNc2ncccc2C(=O)O)c1	1593642137	ZGHZNNPCPLCYQC-UHFFFAOYSA-N	315.329	1.864	50	20	DDGD	
O=C(NCC1=CCCCC1)NNc1cccc(-c2nn[nH]n2)c1	1593021731	PVBFXMAQUCZLQG-UHFFFAOYSA-N	313.365	1.993	50	20	DDGD	
Cc1c(C(=O)O)oc2c1C(=NNC(=O)c1ccon1)CCC2	1776106059	PGHBMTPGVCHYCP-UHFFFAOYSA-N	303.274	1.745	50	20	DDGD	
CCc1cc(C(=O)O)c(C=NNC(=O)c2ncccn2)s1	1776081509	SCMNBHYYKKRRNE-UHFFFAOYSA-N	304.331	1.563	50	20	DDGD	
CCOCCC1(CNC(=O)NNC(=O)c2ccc(C)o2)CC1	161554182	SIXRUIGVHMYYOF-UHFFFAOYSA-N	309.366	1.739	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CS[C@H]1CCO[C@@H]1C	163669889	CPJKZAWHGFSFIS-OCCSQVGLSA-N	322.430	1.596	50	20	DDGD	
CCN(C)[C@H](C(=O)NNC(=O)c1cc(C)n[nH]1)c1ccccc1	151155904	JZAXQQWEVQAVEC-AWEZNQCLSA-N	315.377	1.172	50	20	DDGD	
Cc1cc(C)cc(CCC(=O)NNC(=O)c2cnn(C)c2)c1	151222424	ZEFZVFFROVZWHZ-UHFFFAOYSA-N	300.362	1.431	50	20	DDGD	
CCCCCCC(=O)NNc1nccc(N2CCOCC2)n1	155526520	CUTWEFXVGYYZCK-UHFFFAOYSA-N	307.398	1.727	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CCn1ccccc1=O	156201811	LPBGUUAUYICGSL-UHFFFAOYSA-N	318.285	1.761	50	20	DDGD	
COc1ccc(NNC(=O)CCCn2cncn2)c([N+](=O)[O-])c1	155251000	OGHJTOPJJOYYIG-UHFFFAOYSA-N	320.309	1.118	50	20	DDGD	
Cc1cccc(CC(=O)NNC(=O)COc2ccc(F)cc2)c1	102633238	CGVSCKZCWYYJQH-UHFFFAOYSA-N	316.332	1.903	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N2CCc3ccccc3C2)c1	103517467	YZAURKKYSYVFID-UHFFFAOYSA-N	320.352	1.971	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	179384589	PTCFPIBDAPVPJO-BFHYXJOUSA-N	309.410	1.666	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCc1cc2ccccc2o1	103513299	JQYIXHRPAMZHFA-UHFFFAOYSA-N	324.340	1.901	50	20	DDGD	
CC(C)CCNC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	54029634	FGNFYLSHISQSAH-NSHDSACASA-N	311.357	1.970	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@@H]1c1ccc[nH]1	109831167	AGEZUTDGJBPLSP-GXTWGEPZSA-N	306.410	1.734	50	20	DDGD	
Cc1nccn1CCCC(=O)NNC(=O)c1ccc(C#N)cc1	101663615	ULZQPJQXCRMXGH-UHFFFAOYSA-N	311.345	1.305	50	20	DDGD	
CC(=O)N[C@@H](C)C(=O)NNc1ccc(Br)c(C)c1	114888617	PJCMLNIINXUPGY-QMMMGPOBSA-N	314.183	1.725	50	20	DDGD	
CCCc1cc(C(=O)NNc2ccc(C(=O)OC)cn2)[nH]n1	179781758	ZVMVNWHMPVVLIL-UHFFFAOYSA-N	303.322	1.301	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)c2cc3ccccc3o2)cn1	177726598	ZSZINRHMJXIVAK-UHFFFAOYSA-N	324.340	1.969	50	20	DDGD	
CN(C)N(C(=O)CCCc1ccccc1)[C@H]1CCS(=O)(=O)C1	119891444	VTZXWCDRUXUENP-HNNXBMFYSA-N	324.446	1.502	50	20	DDGD	
CCCNC(=O)CCC(=O)NNC(=O)CCc1ccccc1	110679515	HSVSBCAJMWRGIJ-UHFFFAOYSA-N	305.378	1.073	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@@H]1CCCCN1Cc1ccccc1	174365669	BOXCYXZBJSCHEZ-AWEZNQCLSA-N	304.394	1.344	50	20	DDGD	
O=C(COc1cccc([N+](=O)[O-])c1)NNc1nccnc1Cl	114896547	FEAFFFWSXKRILU-UHFFFAOYSA-N	323.696	1.560	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2CCOC2)c1C	66895445	XYQSATXQRDSRJP-CHWSQXEVSA-N	306.362	1.255	50	20	DDGD	
NS(=O)(=O)c1ccc(NC(=O)NNc2cccc(F)c2)cc1	178623164	BEELVTZEIDYDRO-UHFFFAOYSA-N	324.337	1.622	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@@H](C)N2CCC(C)CC2)n1	67706261	UBTAGBJNFWLEDI-CQSZACIVSA-N	320.441	1.840	50	20	DDGD	
CC(=O)N[C@@H](CC(=O)NNC(=O)C1CC1)c1ccc(Cl)cc1	22882135	XSWYAHXVBUEWEG-ZDUSSCGKSA-N	323.780	1.465	50	20	DDGD	
C[C@@H](CSCc1ccccc1)C(=O)NNC(=O)CN(C)C	178811035	CANWXZUYJPAXAF-LBPRGKRZSA-N	309.435	1.265	50	20	DDGD	
CC(=O)NNC(=O)[C@@H](C)SCC(=O)Nc1ccc(C)cc1	45826762	MKINBNHXUITINX-SNVBAGLBSA-N	309.391	1.223	50	20	DDGD	
Nc1cc(C(=O)NNC(=O)Cc2ccccc2F)cc(Cl)n1	170999252	LQBSASRKZQMCEM-UHFFFAOYSA-N	322.727	1.460	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1c(F)cccc1Cl	65205878	PQRHHSJNHDDZCB-UHFFFAOYSA-N	303.721	1.460	50	20	DDGD	
CCCOc1ccccc1NC(=O)NNC(=O)Cc1cc[nH]n1	183008748	SOMPHZJYIOAAMG-UHFFFAOYSA-N	317.349	1.594	50	20	DDGD	
CCn1nc(C)c(NC(=O)NNc2nccc(OC)n2)c1C	121066558	RCRUGXYVSPXPBO-UHFFFAOYSA-N	305.342	1.467	50	20	DDGD	
Cc1cc(C)cc(CCNC(=O)NNC(=O)[C@@H]2CCCO2)c1	77874354	DMJWFACUFJLODQ-AWEZNQCLSA-N	305.378	1.355	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cc(C)nc(C)n2)s1	128729283	RKLBUACAYLLSTG-UHFFFAOYSA-N	306.347	1.698	50	20	DDGD	
O=C(NNc1cccnc1Cl)[C@H]1CCCN(C(=O)C2CC2)C1	128312899	HCWHCQQTCIIKII-NSHDSACASA-N	322.796	1.827	50	20	DDGD	
CC[C@@H]1C[C@@H](C(=O)NNC(=O)COc2ccc(C)cc2)CCO1	183392628	WUGRYRXARXRMIV-UONOGXRCSA-N	320.389	1.726	50	20	DDGD	
CC(=O)[C@H](C)SCC(=O)NNC(=O)Cc1ccccc1C	121733034	AWUSUFWUDLPULG-LBPRGKRZSA-N	308.403	1.396	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(N2C[C@H](C)O[C@H](C)C2)nc1	30034193	RDTHJPBSUBDPMU-PHIMTYICSA-N	322.365	1.086	50	20	DDGD	
CN(Cc1ncc(Cl)n1C)C(=O)NNC(=O)C(C)(C)C	181065457	FLIQICNJYNPMHO-UHFFFAOYSA-N	301.778	1.292	50	20	DDGD	
Cn1cc(CCC(=O)NNc2ccc(C(F)(F)F)cn2)cn1	131648549	PFZMCLSSHRVNBQ-UHFFFAOYSA-N	313.283	1.910	50	20	DDGD	
Cc1cc(O[C@H](C)C(=O)NNC(=O)CN(C)C)ccc1C(C)C	75653922	FINJNYDQVCLQNZ-CYBMUJFWSA-N	321.421	1.595	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)c1ccc2c(c1)C(=O)NC2=O	184291188	JUMNNCHBPRDKGD-UHFFFAOYSA-N	313.288	1.775	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccc2c(c1)OCCO2	43074495	TYJMZBNWKYLHLM-UHFFFAOYSA-N	304.224	1.171	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cc(-c2ccncc2)on1	191903441	MIUSWAKMRWFKOZ-UHFFFAOYSA-N	321.300	1.536	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2cccc(F)c2F)nc(C)n1	130348951	WFNXARPVXYXMCH-UHFFFAOYSA-N	321.287	1.453	50	20	DDGD	
C[C@H]1CCN(CC(=O)NNC(=O)c2ccccc2)CCS1	192175319	APWBOFJWMDOFJM-LBPRGKRZSA-N	307.419	1.275	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@H]1[C@@H]2c3ccccc3CC[C@H]21	130141049	BRKLUDZZHRQOOO-BPLDGKMQSA-N	310.357	1.687	50	20	DDGD	
CC1(C)CCC[C@@H]1NCC(=O)NNC(=O)c1ccc(F)cc1	191843315	FYLXJXUJARDQPV-ZDUSSCGKSA-N	307.369	1.755	50	20	DDGD	
COCCCNC(=O)NNC(=O)/C=C(\C)c1ccc(F)cc1	195051498	YPTSJQDESTYQEW-ZHACJKMWSA-N	309.341	1.596	50	20	DDGD	
CC(=O)N1CCN(CCI)C(C)(C)C1	191039243	PMDXNTKWGMMPSD-UHFFFAOYSA-N	310.179	1.364	50	20	DDGD	
O=C(C[C@@H]1CCCOC1)NNC(=O)NCCc1cccs1	192914522	YNSUCKHGFWRTBM-NSHDSACASA-N	311.407	1.438	50	20	DDGD	
Cn1c(-c2ccccc2)c(C=NNC(=O)C(N)=O)c2ccccc21	252452304	BDSBAHWCJCYJLA-UHFFFAOYSA-N	320.352	1.781	50	20	DDGD	
Cc1noc(-c2ccccc2C(=O)NNC(=O)NC(C)C)n1	266159447	SRBDKMKRZOKIEG-UHFFFAOYSA-N	303.322	1.397	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccccc1COC1CCOCC1	269230104	FXAOSLRVFBJJBH-UHFFFAOYSA-N	321.377	1.298	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CN1C(=O)CCc2ccccc21	264783686	RFSSNZHKILZNFO-UHFFFAOYSA-N	319.361	1.522	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H]1CCCN1C(=O)c1ccccc1	363225254	IVFVTGDTUHBCFK-GFCCVEGCSA-N	305.334	1.069	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@]2(C)CCO[C@@H]2C2CC2)n1	364240725	RPCDMGZKFNVMCB-DOMZBBRYSA-N	321.381	1.317	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(-n2nc(C)cc2C)nc1	271255503	GSYZYTGDHABZAC-UHFFFAOYSA-N	316.365	1.190	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)C2Cc3ccccc3C2)n1	277495854	VERDNENVUGQGLF-UHFFFAOYSA-N	312.373	1.062	50	20	DDGD	
CC(C)(C)C(=O)N1CSC[C@H]1C(=O)N1CC=C(C#N)CC1	273687698	GSCOPISYECFDBZ-LBPRGKRZSA-N	307.419	1.616	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1C[C@H](C)O[C@H](C2CC2)C1	279678403	PPVHDMAVLOKHJP-WFASDCNBSA-N	317.389	1.849	50	20	DDGD	
COC(=O)[C@@H](Cc1ccc(F)cc1)NNC(=O)CC(C)(C)C	275657285	DFFSGHBIDXLMNB-CYBMUJFWSA-N	310.369	1.967	50	20	DDGD	
CN(C)C(=O)CCCC(=O)NNc1cccc(F)c1[N+](=O)[O-]	279629544	IKANIBHOKRGSJM-UHFFFAOYSA-N	312.301	1.436	50	20	DDGD	
COCC1(C(=O)NNc2nc3ccccc3c(=O)n2C)CCC1	284275011	HTQKESGWDTVKKQ-UHFFFAOYSA-N	316.361	1.193	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](C)Oc1ccc(CCC(C)=O)cc1	286459130	SWSFVDWUMOEFPO-LBPRGKRZSA-N	322.361	1.705	50	20	DDGD	
O=C(NNc1ncccc1F)c1cccnc1N1CCCC1	286037638	QRUCNQYGEYHWFL-UHFFFAOYSA-N	301.325	1.973	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@H](C)c2nccs2)n1	280187096	GYTORKSTPMSOAE-VIFPVBQESA-N	319.390	1.594	50	20	DDGD	
COCc1cccc(NC(=O)C(=O)NCCSSC)c1	285114085	HSPMBQOMMQYYSN-UHFFFAOYSA-N	314.432	1.899	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)CNC(=O)OC(C)(C)C)nc(C)n1	288025879	NQNMAMDZNRLHHG-VIFPVBQESA-N	323.397	1.697	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H](OC)c1cnn(C)c1	280929780	AMSOOPZAPSJOEX-ZDUSSCGKSA-N	321.289	1.630	50	20	DDGD	
CCn1c(SCC(=O)NN(C)C(=O)OC)nc2ccccc21	286180272	CIUIGJYUCGCZDU-UHFFFAOYSA-N	322.390	1.878	50	20	DDGD	
CC(C)C[C@H](C)NC(=O)NNc1ccc(-n2ccnc2)nn1	286570670	BVQNIROGCXNWDP-NSHDSACASA-N	303.370	1.723	50	20	DDGD	
CCOC(=O)NCCC(=O)NNC(=O)c1c[nH]c2ccccc12	298421326	LVBMYESTYUCKKA-UHFFFAOYSA-N	318.333	1.065	50	20	DDGD	
Cc1cc(F)cc(S(=O)(=O)NNC(=O)[C@H]2CCCCO2)c1	296814506	VCZWITCVCDOIND-GFCCVEGCSA-N	316.354	1.013	50	20	DDGD	
CC(=O)NCc1ccc(C(=O)NNc2ncccc2F)cc1	804215414	PWPQKVYNOPUBDJ-UHFFFAOYSA-N	302.309	1.614	50	20	DDGD	
Cn1[nH]cc2c(=NC(=O)NNc3ccc(F)cc3)ccnc1-2	806484659	FFSSPUAOPHXHBU-UHFFFAOYSA-N	300.297	1.630	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1ccnc2ccncc12	806864759	HSILURXSQICWQV-UHFFFAOYSA-N	300.709	1.830	50	20	DDGD	
N#C/C(=C\c1ccc(O)c(C(=O)O)c1)C(=O)[C@@H]1CCCOC1	290015036	WNSDPNNFBAPBFK-GGQLTLKSSA-N	301.298	1.993	50	20	DDGD	
N#Cc1cc(F)ccc1NC(=O)NNC(=O)[C@H]1CCCCO1	296659204	QAWTZBFEIFFZLW-GFCCVEGCSA-N	306.297	1.419	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NOCC1CC1	297487206	TZJBFRGLKWCVKS-VIFPVBQESA-N	311.313	1.265	50	20	DDGD	
N#Cc1ccc(C[C@H](C#N)C(=O)NNc2cccc(F)n2)cc1	804768631	MXQACFXNIYEQNR-CYBMUJFWSA-N	309.304	1.918	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Nc1cc(F)cc(F)c1)n1cccn1	802001931	AYCZMMUCFGLZKV-QMMMGPOBSA-N	309.276	1.575	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@@H]1CCCCO1	295600341	PVAYNEXJWVYPNR-WOPDTQHZSA-N	308.403	1.877	50	20	DDGD	
O=C(NNC(=O)c1ccc(-n2cncn2)nc1)Nc1ccccc1	801986563	AMGXZBJRJIZJSN-UHFFFAOYSA-N	323.316	1.129	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc2ccccn2c1	808045304	HRDYJACVNATEKR-UHFFFAOYSA-N	319.361	1.490	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H](CO)C1CCCC1	292010203	NEMATJXUDNBCTK-IHWMJMDHSA-N	300.358	1.966	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)c1cn(C)c(C)n1	800811674	DWQHUIOZYZOJOJ-UHFFFAOYSA-N	319.390	1.060	50	20	DDGD	
O=C(CS(=O)(=O)C1CCCC1)NNc1ncc(F)cc1F	296993516	QIJGFFWWJHIRNN-UHFFFAOYSA-N	319.333	1.160	50	20	DDGD	
CCCc1csc(NC(=O)C(=O)NNc2cccc(F)n2)n1	807390919	UQLHPCKTJFMLHD-UHFFFAOYSA-N	323.353	1.712	50	20	DDGD	
CSC1(C=NNC(=O)CNC(=O)c2cccnc2)CCC1	800814089	HISNTJOXZHRPHJ-UHFFFAOYSA-N	306.391	1.199	50	20	DDGD	
CCc1c(C(=O)NNc2nc(-c3cccnc3)no2)ccn1C	810339520	MASZDTHUYCTEGE-UHFFFAOYSA-N	312.333	1.789	50	20	DDGD	
COc1cc(C=NNC(=O)N=c2cc[nH]cc2)cc(OC)c1O	815002632	KARWUBAYXWWAIO-UHFFFAOYSA-N	316.317	1.382	50	20	DDGD	
Cn1cc(C(=O)CCC(=O)NNc2cccc(Cl)n2)cn1	817004636	KIYICXKWUHWRBH-UHFFFAOYSA-N	307.741	1.575	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C1CCCc2occc21	814827205	ZCGWOFQQIDBOMA-UHFFFAOYSA-N	301.302	1.459	50	20	DDGD	
COC(=O)Cc1occc1C(=O)NNc1ccc(Cl)nn1	810419813	PTKWHCIKOYZUHQ-UHFFFAOYSA-N	310.697	1.195	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=Cc2cnc(OC)s2)c1	812224078	ZMWWZOHLLMUHDF-UHFFFAOYSA-N	321.358	1.933	50	20	DDGD	
O=C(NCCOCc1ccccc1)NNc1ncncc1F	814308318	KMZPEOHGBAPKBN-UHFFFAOYSA-N	305.313	1.459	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)O)CCC1=NNC(=O)c1ccc(O)c(O)c1	814920976	PEZJYOHZRTYGPW-WPRPVWTQSA-N	306.318	1.704	50	20	DDGD	
Cc1nnc(CC(=O)NNC(=O)c2cc3ccccc3o2)o1	813473832	VVQNEJOQLVEKTA-UHFFFAOYSA-N	300.274	1.128	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2c[nH]c(C(=O)O)c2)c(OC)c1	814840677	TWEHOPXEPYMZKE-UHFFFAOYSA-N	317.301	1.494	50	20	DDGD	
N#Cc1cc(C(=O)NNc2ncccn2)cnc1C(F)(F)F	814927012	SYYXYFAYKCUZNZ-UHFFFAOYSA-N	308.223	1.519	50	20	DDGD	
CN1CCCC(C)(C)[C@H]1CNC(=O)NNc1ncncc1F	814327184	WKZZBWJDLUHILM-LLVKDONJSA-N	310.377	1.362	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cnnc(-c2ccccc2)c1	810584111	MGAZCVGFJSQKPL-UHFFFAOYSA-N	311.345	1.498	50	20	DDGD	
Cc1c(NNC(=O)c2cc([N+](=O)[O-])c[nH]2)cccc1[N+](=O)[O-]	728066255	NHJPIJIDBIDUSA-UHFFFAOYSA-N	305.250	1.896	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2SCCc3sccc32)nc(N)n1	828371239	HLBPDSCGGOGANL-NSHDSACASA-N	321.431	1.902	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cccc2c1CCOC2	824437209	NJXAHDAMBZZQKI-UHFFFAOYSA-N	319.430	1.668	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc2c(C(F)F)nn(C)c2s1	823927667	CRNYICGMTJZUSV-ZCFIWIBFSA-N	318.349	1.530	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(Oc2ccc(F)cc2)nc1	823906789	CIMLEYQPVBTPCY-NSHDSACASA-N	319.336	1.970	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CSC[C@@H]2CCCO2)c1	727348450	KHZQKZBEIPLKOF-ZDUSSCGKSA-N	308.403	1.668	50	20	DDGD	
O=C(/C=C\c1cccc(O)c1)NNC(=O)NCC(F)(F)F	492385366	IUSYMFJWXFRNSO-PLNGDYQASA-N	303.240	1.298	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)Cc2c[nH]c3ccccc23)CO1	828419446	CHLWLHIKNVJRQU-ZYHUDNBSSA-N	316.361	1.218	50	20	DDGD	
COCCOCCOC(=O)/C(C#N)=C\c1ccc(OC)cc1	729094177	FIPXUYBEURBENM-KAMYIIQDSA-N	305.330	1.808	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(-n2ccnc2S)cc1	495763428	RRWCGRQINNYJFN-UHFFFAOYSA-N	306.347	1.504	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1cccc(F)c1C(=O)OC	822728405	RTXKGLZETSDUIC-ZDUSSCGKSA-N	319.336	1.153	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CC[C@@H](Cc2ccccc2)C1	584951833	PLESTBYOSYWUTM-HNNXBMFYSA-N	309.174	1.071	50	20	DDGD	
C[C@H]1C[C@@H]1c1ccc(CNC(=O)c2cc(B(O)O)ccc2F)o1	584932010	MPRQDYOAMYIKOY-CABZTGNLSA-N	317.125	1.152	50	20	DDGD	
CCOC(=O)N[C@H](C(=O)NNc1cccc(Cl)n1)C(C)C	495830251	CJWIXXWMOWLCGY-NSHDSACASA-N	314.773	1.949	50	20	DDGD	
C#CCCCC(=O)NN[C@@H](Cc1ccc(F)cc1)C(=O)OCC	901644669	SCDNZKBEMNCYOK-HNNXBMFYSA-N	320.364	1.724	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(CN(C)C)cc2)nc(N)n1	828366992	GGRHITFDBBALNV-UHFFFAOYSA-N	300.366	1.186	50	20	DDGD	
O=C(NNc1cnccn1)C1(Cc2ccccc2)CCOCC1	829748252	JLNUDOVPCUSJSR-UHFFFAOYSA-N	312.373	1.959	50	20	DDGD	
Cc1oc(-c2ccccc2)nc1CC(=O)NN(C)[C@@H](C)CO	823977258	RYMOSXMNOADWCM-NSHDSACASA-N	303.362	1.536	50	20	DDGD	
O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cc(B(O)O)ccc1F	584926436	OEVMQVFMQCHNSZ-SGMGOOAPSA-N	319.185	1.594	50	20	DDGD	
CCN(CC)C(=O)c1cccc(NCc2ccc(B(O)O)o2)c1	585011716	CITDENBKUPNSKK-UHFFFAOYSA-N	316.166	1.054	50	20	DDGD	
CC(C)(C)OC(=O)NCCC=NNC(=O)Cc1cccnc1	493933562	DZKRSXDNGPUAMF-UHFFFAOYSA-N	306.366	1.641	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2ccc(CO)o2)cc1C	739399369	CQIUNMWPDMBTFT-UHFFFAOYSA-N	302.330	1.918	50	20	DDGD	
C[C@]1(C(=O)Nc2ncc(CCO)s2)C[C@@H]1Br	908233071	SGWALUXAPZGUFK-XVKPBYJWSA-N	305.197	1.790	50	20	DDGD	
N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(B(O)O)cc1	585048432	PHBCMOYFIATHPJ-SFHVURJKSA-N	306.174	1.405	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)c1ccc(F)cc1F	730779892	LNIGLWBRLHWLLM-UHFFFAOYSA-N	322.267	1.510	50	20	DDGD	
O=S(=O)(CCl)N1CCN(Cc2ccc(Cl)nc2)CC1	830540189	RBMFHOCFOSHPKO-UHFFFAOYSA-N	324.233	1.379	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1ccc(C(=O)O)c(F)c1	833148634	NRJGMURFGTXJBF-UHFFFAOYSA-N	309.684	1.751	50	20	DDGD	
CCc1ncncc1C(=O)NNC(=O)Cc1ccccc1F	731328380	FFSOUQXDWFRTLF-UHFFFAOYSA-N	302.309	1.182	50	20	DDGD	
COC1(CNC(=O)NNc2ncc(F)cc2F)CCOCC1	838525680	YQBHRNYLYVEKHZ-UHFFFAOYSA-N	316.308	1.182	50	20	DDGD	
CC(=O)NC[C@@H]1CCCN(C(=O)[C@]2(C)C[C@@H]2Br)C1	906433039	IGHNOXRDAMVYPS-GMXVVIOVSA-N	317.227	1.535	50	20	DDGD	
C[C@@H]1C[C@H]1c1ccc(CNC(=O)NNC(=O)c2cnn(C)c2)o1	735510541	NHWXGJUUMNZIAP-BXKDBHETSA-N	317.349	1.281	50	20	DDGD	
O=C(NNc1cccnn1)[C@H]1CCCN(Cc2cccnc2)C1	736698174	CRBZTKVYTWJBEQ-AWEZNQCLSA-N	312.377	1.227	50	20	DDGD	
O=C(NC[C@H]1CCCC1(F)F)NNC(=O)[C@@H]1CCCCO1	836603436	MVJGVTUMAGXQRQ-ZJUUUORDSA-N	305.325	1.321	50	20	DDGD	
CC(C)N(Cc1ccco1)C(=O)c1cc(B(O)O)ccc1F	584937821	CMICWZZFHCMXNY-UHFFFAOYSA-N	305.114	1.149	50	20	DDGD	
C[C@@H]1CN(C)C(=O)CN1S(=O)(=O)c1ccc(CCl)cc1	914414417	UVEMSYOSYOBAAI-SNVBAGLBSA-N	316.810	1.277	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)CC1	831949034	NXJWMSNUKVLFLG-UHFFFAOYSA-N	318.377	1.665	50	20	DDGD	
C=CC(C)(C)CNC(=O)NNC(=O)c1ccc2c(c1)OCCO2	836591940	NNZWBLJVWQJLKV-UHFFFAOYSA-N	319.361	1.614	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1ccco1	831794223	GMNMRMSDDFEEQT-CSKARUKUSA-N	323.349	1.355	50	20	DDGD	
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NN(C)C[C@@H](C)O	910166967	AMEOXCNOWFXACH-IUODEOHRSA-N	305.378	1.305	50	20	DDGD	
CC(C)c1c(C(=O)NN(C)C[C@H](C)O)cnn1-c1ccccn1	910170504	KVTIBDYPKOBPPD-LBPRGKRZSA-N	317.393	1.348	50	20	DDGD	
COC(=O)Cn1cc(/C=C(/C#N)C(=O)C2CCCCC2)nn1	834430178	IGXAKWOVTCYVCW-GHXNOFRVSA-N	302.334	1.507	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc(NC(C)=O)cc1	740762318	KZQJYCXXHSBMLC-UHFFFAOYSA-N	318.377	1.400	50	20	DDGD	
NC(=O)NN=C1CCOc2c(F)cc(Br)cc21	741451335	NKOASXIOJHDCHS-UHFFFAOYSA-N	302.103	1.743	50	20	DDGD	
O=C(NNc1cc(O)nc2ncccc12)[C@H]1CC1(Cl)Cl	913995242	KBQGDSCLLWZPDA-SSDOTTSWSA-N	313.144	1.972	50	20	DDGD	
COCCN(C)NC(=O)C[C@H](C)n1cc(Br)cn1	843881823	FEQXNVQYDFBAPZ-VIFPVBQESA-N	319.203	1.206	50	20	DDGD	
CC(C)NCCCNC(=O)NNc1ncnc2ccsc12	841933274	YXGAXLNFRKBTRG-UHFFFAOYSA-N	308.411	1.706	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc(Cn2cccn2)o1	915261708	FYYMRNKQTMNVQG-UHFFFAOYSA-N	324.340	1.908	50	20	DDGD	
O=C(NNC(=O)N1CC(F)C1)c1ccc(Br)s1	841575148	JRDXRMYHEVLKSQ-UHFFFAOYSA-N	322.159	1.519	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@@H]2CS[C@@H](C)C2)cc1	845259611	MHZQWEQLWYUSGU-GWCFXTLKSA-N	323.418	1.922	50	20	DDGD	
C[C@H]1C(=O)N(C)CCN1S(=O)(=O)c1ccc(CCl)cc1	914399286	GADQSZPIUQINPA-JTQLQIEISA-N	316.810	1.277	50	20	DDGD	
COC(=O)C[C@H](C)C(=O)Nc1cccc(NC(=O)NN(C)C)c1	843871126	XUHXLGSRCHSWFT-JTQLQIEISA-N	322.365	1.422	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN)cc1OCC1CCCCC1	841199962	VLIDUHCLUSDZDE-UHFFFAOYSA-N	305.378	1.883	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C[C@@H]1CCc2ccccc21	843650525	DLOPTVMEKOZVBC-FPMFFAJLSA-N	302.374	1.679	50	20	DDGD	
Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)NN)cc3C2=O)c1	916665584	MOYYDZYORMXKTR-UHFFFAOYSA-N	309.325	1.708	50	20	DDGD	
COCCCOCC(=O)NNc1ccc(F)c([N+](=O)[O-])c1	842248501	ZUNUVMCHRGBCIF-UHFFFAOYSA-N	301.274	1.230	50	20	DDGD	
NNC(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1	841820322	PZPDQKZYVDJXQS-QMMMGPOBSA-N	304.272	1.337	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@H]2CCc3ccccc3C2)n1	845934637	RMOGMHBAHPTPDJ-NSHDSACASA-N	317.780	1.960	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc(NC=O)cc1	746240201	MUHPGFBJIPGLQO-UHFFFAOYSA-N	313.313	1.338	50	20	DDGD	
Cc1cc(CC(=O)NN=C2CCc3c2cccc3[N+](=O)[O-])n[nH]1	848404804	PMIHWPWGJJQDJC-UHFFFAOYSA-N	313.317	1.636	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)C[C@H](C)n1ccnc1	845917092	GYOSKCFBBKLGRO-NSHDSACASA-N	302.334	1.764	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@@H](C)CN2CCCCC2)cc1O	916364564	PGQJVFYLGQKLCK-ZDUSSCGKSA-N	319.405	1.973	50	20	DDGD	
COc1ccc(C(=O)NN=C[C@H](OC)[C@H]2CCOC2)cc1OC	841605776	UWMIUMAECWZQHC-WFASDCNBSA-N	322.361	1.471	50	20	DDGD	
COC(=O)c1cc(NNC(=O)N[C@H]2CCC[C@H](N)C2)ccc1F	841981073	PSCRVZKRPCLWJC-UWVGGRQHSA-N	324.356	1.508	50	20	DDGD	
CC(=O)CCc1ccc(O[C@@H](C)C(=O)NN(C)C[C@@H](C)O)cc1	910170373	ZUEYZJOSGTUGCQ-KGLIPLIRSA-N	322.405	1.319	50	20	DDGD	
O=C(O)Nc1cccc(C(=O)NNC(=O)c2ccccc2F)c1	740033808	OZEXVLKUYLILDB-UHFFFAOYSA-N	317.276	1.990	50	20	DDGD	
CC(C)C[C@H](C)CC(=O)NNc1ccccc1S(N)(=O)=O	842262398	UDMKTAWCEKLFIE-NSHDSACASA-N	313.423	1.849	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@H](C(=O)O)C(C)C	848588340	RVKVSQCVUCCHEX-LBPRGKRZSA-N	307.350	1.296	50	20	DDGD	
COC(=O)CCC(C)=NNC(=O)c1c(C)nc2ccccn12	756871055	PCLLYJDAYQLKIY-UHFFFAOYSA-N	302.334	1.702	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CC23CCC3)cc1	759987048	BDLLYGBTZBMYJG-ZDUSSCGKSA-N	316.357	1.489	50	20	DDGD	
O=C(Cc1n[nH]c2c1CCCC2)NNC(=S)NCC1CCC1	855089304	LZKKQZAKIRNNFW-UHFFFAOYSA-N	321.450	1.126	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cc(Cl)ccc1O)c1cnn(C)c1	750233372	STHISCLBZOAOAC-MRVPVSSYSA-N	322.752	1.344	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(C(C)(C)C)oc1C	923882086	PRFDRVFAWAXCJV-JTQLQIEISA-N	324.377	1.988	50	20	DDGD	
O=C(NC[C@@H]1COCO1)NNc1cccc(Cl)c1Cl	923845162	UTWGGTCGADERNN-SSDOTTSWSA-N	306.149	1.992	50	20	DDGD	
CN(C)C1(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)CC1	854247706	GTECDMJNOOMLRB-UHFFFAOYSA-N	316.188	1.849	50	20	DDGD	
Cc1cc2ncc(C(=O)NN=c3cc[nH]cc3Cl)c(C)n2n1	757421868	JEVCPHZWIITWLP-UHFFFAOYSA-N	316.752	1.573	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@H](CCN)C2)C[C@H]1Br	857104749	AMJBTYCUYXWJFH-NQBHXWOUSA-N	318.259	1.930	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21	854162542	MJJVMHBFCZLEPV-GMTAPVOTSA-N	311.382	1.237	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1ccc(F)cc1O	758379540	CGUARMUCGLPCQH-UHFFFAOYSA-N	316.292	1.405	50	20	DDGD	
CN1CCCC(=NNC(=O)c2ccc3c(c2)OCCO3)CC1	758098091	NXXZJAVCFCUXME-UHFFFAOYSA-N	303.362	1.659	50	20	DDGD	
COCc1nc(COC(=O)/C(C#N)=C/c2ccc(O)cc2)no1	759556077	HQWHDXRUUJQCHO-IZZDOVSWSA-N	315.285	1.572	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC([C@@H](O)c2ccnn2C)CC1	857734599	PXMRLJZLHLLPIS-BMOGTNHUSA-N	318.377	1.136	50	20	DDGD	
CN(CCN(C)C1CC1)C(=O)NC[C@@]1(C)C[C@@H]1Br	856951753	BYWCCKJIWQKZAF-WCQYABFASA-N	318.259	1.896	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2(C(C)C)COC2)cc1OC	929230065	MUVSWKMEDFZAFW-UHFFFAOYSA-N	322.361	1.137	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=C(C)c1nccn1C	755508876	OLULXHZVYGUILY-UHFFFAOYSA-N	300.362	1.902	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)c2cc3ccccc3o2)C1	858270710	KPRAIWFISKWZNA-XYPYZODXSA-N	303.318	1.554	50	20	DDGD	
O=C(NN=C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1	853261526	MRPCTCHSFSPMKM-UHFFFAOYSA-N	303.322	1.472	50	20	DDGD	
COc1ccc(C(=O)NNc2cnnn2C)c(OCC2CC2)c1	857272547	CYCJSAVZHZBNJS-UHFFFAOYSA-N	317.349	1.369	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1	756018993	PXJWOOBFZQBLBJ-UHFFFAOYSA-N	318.377	1.922	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@@H]1C[C@H]1c1cccc(O)c1)C1CC1	855096015	SAPPTRNBFOBILQ-BIGNPOOSSA-N	319.430	1.790	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCN2CCC(C)CC2)c1	858151721	OEGJHYWYQJUDTQ-UHFFFAOYSA-N	324.450	1.732	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C1CN(C(C)C)C[C@@H]1C	754256666	YIIODFIMLZSVDS-ZDUSSCGKSA-N	318.421	1.939	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@H](C)c1ccccc1	854283912	PDOLVIHHUUALIK-GFCCVEGCSA-N	309.435	1.664	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cc(C(F)(F)F)nn1C	853368032	AJBQPCJXJYNMLX-IONNQARKSA-N	304.272	1.314	50	20	DDGD	
CNC[C@H](C)NC(=O)NNc1ccc(Br)c(F)c1	851682123	SEEDSLADXKRMBT-ZETCQYMHSA-N	319.178	1.822	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2cccc(Cl)n2)SCCO1	857323533	QIEDSIMXLPCZIY-UHFFFAOYSA-N	313.766	1.491	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1	850764630	DYJTUZJMTMGADX-ZDUSSCGKSA-N	320.393	1.546	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=S)Nc1ccc(N(C)C)cc1	755666349	BHEKXRNFYIDMKT-NSHDSACASA-N	324.450	1.743	50	20	DDGD	
CCN1CCC[C@@H]1CNC(=O)NC[C@@]1(C)C[C@@H]1Br	856870178	PZGPXBAIISUHRP-NTZNESFSSA-N	318.259	1.943	50	20	DDGD	
CC(C)OC(=O)CCCNC(=O)NNC(=O)CC(C)(C)C	765905839	OCEZBXKHHWTOQP-UHFFFAOYSA-N	301.387	1.485	50	20	DDGD	
O=C(NNC(=S)N[C@H]1CCc2ccccc2C1)c1cn[nH]c1	863204650	FIBADKPUGRAPLL-ZDUSSCGKSA-N	315.402	1.076	50	20	DDGD	
O=C(NNC(=O)[C@H](F)c1ccccc1)c1ccc2c(c1)OCO2	768963361	QILCCKIRZSAFRP-CQSZACIVSA-N	316.288	1.887	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cnc2nccnc2c1	863100261	PKZPLCILTWKGQO-UHFFFAOYSA-N	321.209	1.457	50	20	DDGD	
O=C(NCCc1cn2c(n1)SCC2)NNC(=O)C1CCCC1	768525240	UWYMSNLHPMHIRR-UHFFFAOYSA-N	323.422	1.052	50	20	DDGD	
C[C@H](NC(=O)c1ccccc1)C(=O)NN[C@H](C)C(F)(F)F	862305130	WQSVREOLNQJMEN-DTWKUNHWSA-N	303.284	1.377	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCC(=O)N1)c1cccc([N+](=O)[O-])c1C	863148677	HWQHZAXCQWIOIO-LLVKDONJSA-N	304.306	1.022	50	20	DDGD	
CCn1ncc(C(=O)NNc2ccc(F)c(C(=O)OC)c2)c1C	868761373	LQKTYMLLHXBYAU-UHFFFAOYSA-N	320.324	1.894	50	20	DDGD	
O=C(NN=C1CCN2CCC[C@H]12)c1cnn(-c2ccccc2)c1	765577853	QMSUBOMPHCNVRU-MRXNPFEDSA-N	309.373	1.826	50	20	DDGD	
CCN1C[C@@H](C)N(S(=O)(=O)CC(C)(C)CCl)C[C@H]1C	867033088	CBJJNFSURXHSSL-VXGBXAGGSA-N	310.891	1.996	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ncccc1C(F)(F)F	765580102	HCTKZLGNYFWIJC-SECBINFHSA-N	319.283	1.602	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)c1cc2n(n1)CCO2	862288174	IDHZLYMVFTXKST-UHFFFAOYSA-N	316.317	1.189	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(COCCOC)cc1	861568501	UPMCAVUIAMSQAF-UHFFFAOYSA-N	324.381	1.547	50	20	DDGD	
O=C(NNC(=O)C1SCCS1)c1cccc(Cl)c1	761135308	HBHPZPORUHCAJM-UHFFFAOYSA-N	302.808	1.907	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1sccc1Br	764907524	LZQLPQIQKBJBLW-UHFFFAOYSA-N	320.168	1.317	50	20	DDGD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NNCC(F)(F)C(F)(F)F	863094930	YRUANSDTZNSACJ-YUMQZZPRSA-N	320.258	1.389	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)COC[C@@H]1CCCO1	862287490	OUEJPKOWNAZKSJ-AWEZNQCLSA-N	322.361	1.482	50	20	DDGD	
Cc1cc(OCC(=O)NNc2cc(C#N)cc(Cl)n2)no1	768712767	VOANKLUMAQTIIP-UHFFFAOYSA-N	307.697	1.425	50	20	DDGD	
COC/C=C\C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874951707	RMPFPOCHWNJPOM-PLNGDYQASA-N	308.407	1.273	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C2CC3(CCC3)C2)cn1	874955820	XAWWQNIUAXBCHV-UHFFFAOYSA-N	320.418	1.988	50	20	DDGD	
CCCOc1cccc(CC(=O)NNC(=O)N2CCOCC2)c1	770169102	WIPQQTGDEYXPKN-UHFFFAOYSA-N	321.377	1.091	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H]1CCC[C@@H](C(N)=O)C1	772854982	XRJLECSEABVBBP-MNOVXSKESA-N	305.382	1.335	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)OCc1ccccc1	772003408	WRQYVZFAQHTCPH-RYUDHWBXSA-N	322.361	1.081	50	20	DDGD	
Cc1ncc(C(=O)NNc2nc3ccccc3cc2C)c(N)n1	777530497	BVDXSRPIEJTYBY-UHFFFAOYSA-N	308.345	1.981	50	20	DDGD	
COC(=O)CCc1ccc(NC(=O)NN(C)C(=O)OC)cc1	878629895	MUFNBQVLNSRYMS-UHFFFAOYSA-N	309.322	1.527	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1	777478217	QJZYAFXVAPZOHX-CYBMUJFWSA-N	324.384	1.997	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)C2CCN(C)CC2)c1	874948012	PKUSTGIBHGJZPQ-UHFFFAOYSA-N	324.425	1.794	50	20	DDGD	
C[C@]1(COC(=O)COC[C@@H]2CCCO2)C[C@H]1Br	1123040523	SYWDOOWYTBHBGD-HOSYDEDBSA-N	307.184	1.899	50	20	DDGD	
COCCOCC(=O)NN=C1C[C@@H]2CCCc3cccc1c32	872400983	APHNSRKEJPDJHN-ZDUSSCGKSA-N	302.374	1.994	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CCC(F)(F)F	772160292	BWQBHXNWYRCASO-MRVPVSSYSA-N	312.288	1.454	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)C[C@](C)(O)C2CC2)c1	874949819	FMOPYAYARXELSS-INIZCTEOSA-N	317.414	1.537	50	20	DDGD	
CCCOc1ccc(C=NNC(=O)NCC(=O)OC)cc1C	872363913	WLJZVZQBKYUNME-UHFFFAOYSA-N	307.350	1.590	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)n(C)n1	873808163	HMMDBTZXLOLJNC-UHFFFAOYSA-N	304.325	1.125	50	20	DDGD	
Cn1cc(C#N)c(NC(=O)NC[C@]2(C)C[C@H]2Br)n1	878875361	DXHGOUVQYBAAIW-KCJUWKMLSA-N	312.171	1.587	50	20	DDGD	
C[C@@H](CBr)CN1CCN(c2nc(N)ns2)CC1	770667746	UDECDUVTBSMMFL-QMMMGPOBSA-N	320.260	1.273	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccnc(OC(C)C)c1	779928322	IENKZNNDNLKPHR-UHFFFAOYSA-N	318.337	1.816	50	20	DDGD	
Cc1onc(CC(=O)NNc2oc(C(C)C)nc2C#N)c1C#N	779504617	CJKXMWROHXNHGW-UHFFFAOYSA-N	314.305	1.524	50	20	DDGD	
Cc1ccc(Cl)cc1NC(=O)NNc1nccn(C)c1=O	778233377	KCVKWSLWKJYYKW-UHFFFAOYSA-N	307.741	1.891	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCCC1(C)C	772598229	AKWADZULQFZWCA-VXGBXAGGSA-N	312.410	1.938	50	20	DDGD	
COc1cc(Cl)ccc1NC(=O)C(=O)NNc1ncccn1	773719730	OQQLSRZAGUGVAX-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1	775191179	DVTYYABTUXEQOZ-UWVGGRQHSA-N	308.338	1.191	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1ccc(COC)cc1	774616750	VMVDIQPMBZOGKP-UHFFFAOYSA-N	315.395	1.126	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H]2C[C@@H](C(=O)OC)C2)c1C	1120673231	SOJVETFJZVTQSG-PHIMTYICSA-N	320.345	1.424	50	20	DDGD	
Cn1c(=NNC(=O)[C@@H]2CCCN2C2CC2)sc2ccccc21	786830151	QSWHSSFQCDQAIY-ZDUSSCGKSA-N	316.430	1.799	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NNc1ncncc1Cl	781833935	RKZOXSIXZSOAHE-UHFFFAOYSA-N	323.696	1.560	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@H](O)C2CCCCC2)c1	783692817	BOYUUIGYVUKNRJ-CYBMUJFWSA-N	308.769	1.991	50	20	DDGD	
O=S(=O)(CCl)NCc1nc(Cc2ccccc2F)no1	885675528	WYFVJZNPLSJOKG-UHFFFAOYSA-N	319.745	1.415	50	20	DDGD	
CO[C@]1(C(=O)NNC(=O)COc2ccc(C)cc2)CCSC1	895478195	XFTMOOKYMRVHMN-OAHLLOKOSA-N	324.402	1.043	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@@H]2CCCN2C2CC2)o1	787266730	IVZQYYISJFUWTN-LBPRGKRZSA-N	303.366	1.740	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)c2cnc(C)n2C)cc1C	899937669	PIFFLKCTZAUOMT-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)CCC2(C)CC2)c1	891960214	VFINDCIFDPBKBZ-UHFFFAOYSA-N	305.378	1.835	50	20	DDGD	
CCn1cnnc1CNC(=O)NNc1ccc(Cl)c(OC)c1	788875136	OKAWQPJWBNSFNY-UHFFFAOYSA-N	324.772	1.786	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc3cncn3c2)cc1	786016433	GOFUXIFXDBVXHD-UHFFFAOYSA-N	305.297	1.281	50	20	DDGD	
CC1(C)OC[C@H](CNC(=O)NNC(=O)CCc2ccccc2)O1	783286146	XQAUNZCYWCPDLB-ZDUSSCGKSA-N	321.377	1.101	50	20	DDGD	
CCC(O)(CC)CCNC(=O)NNC(=O)c1cccc(C#N)c1	788103543	ZPAXBSLASYACMR-UHFFFAOYSA-N	318.377	1.443	50	20	DDGD	
CCc1csc(NC(=O)NNc2cc(Cl)nc(N)n2)n1	789117228	AWHWDWPUFMBZMF-UHFFFAOYSA-N	313.774	1.880	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1cc(F)ccc1F	792375213	FHVAADWLSPENHH-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCN2CC[C@@H](C)C2)c1	897466126	OPJAUDFSGWTPMN-SNVBAGLBSA-N	310.423	1.342	50	20	DDGD	
CC(C)Cn1cccc(C(=O)NNc2ccc(Cl)nn2)c1=O	895108414	UEAAEJDTPOJARY-UHFFFAOYSA-N	321.768	1.705	50	20	DDGD	
N#Cc1ccc2c(c1)CCCCC2=NNC(=O)C(=O)N1CCCC1	794856656	JEKQXKIWMYRADU-UHFFFAOYSA-N	324.384	1.727	50	20	DDGD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)c1ccc2c(c1)OCO2	792790602	YPHJIQMTHUPSCF-UWVGGRQHSA-N	318.329	1.182	50	20	DDGD	
Cc1nn(C)c(C=NNC(=O)C(C)(C)C)c1Br	790287275	PARIDKPOSCPCRK-UHFFFAOYSA-N	301.188	1.987	50	20	DDGD	
Cn1cncc1CCC(=O)NNc1ccnc(Br)c1	793836174	YKIBJMJTNCMEGO-UHFFFAOYSA-N	324.182	1.654	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)N[C@@H]1C=CCCC1	1319083155	LZQLUVLYTJCHPL-RISCZKNCSA-N	317.345	1.266	50	20	DDGD	
CN(C)[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1cccc(F)n1	1328412072	IMAQOSBHFQATLI-CMPLNLGQSA-N	323.372	1.038	50	20	DDGD	
CSC1(CNC(=O)NNc2nncc(N)c2Cl)CCC1	1322287540	WNHBJBYMTVCTPL-UHFFFAOYSA-N	316.818	1.624	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Nc1ccc(N(C)C)cc1)n1ccnc1	1327173132	VBQFXVGRTKOCAU-LLVKDONJSA-N	316.365	1.363	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2CCO[C@@H](C)C2)cc1	1337058245	VUMFTLKLUZVRAO-CMPLNLGQSA-N	307.350	1.207	50	20	DDGD	
Cc1nn(CCO)c(C)c1CNC[C@]1(C)C[C@@H]1Br	1331336327	AXQHRLFXEJDRFV-STQMWFEESA-N	316.243	1.755	50	20	DDGD	
C[C@@H](NC(=O)c1cccc(CCl)c1)[C@@H]1CN(C)CCN1C	1335824933	NPQBVOMKTDKMCD-DOMZBBRYSA-N	309.841	1.790	50	20	DDGD	
Cn1cc(/C=C/C(=O)NNc2cncc(Br)c2)cn1	1335974600	RSGZQSUEEDMLNX-NSCUHMNNSA-N	322.166	1.734	50	20	DDGD	
O=C(NCCC[C@H]1CCCN1)NNC(=O)c1ccccc1Cl	1261377610	YBXUQJOCIQHJMH-LLVKDONJSA-N	324.812	1.816	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cnc(C)c(Br)c1	1344843942	XRHRFVJRYULCRR-UHFFFAOYSA-N	317.143	1.935	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)CNC(=O)c1ccncc1	1342762914	PLMNXCTXRFPTQD-UHFFFAOYSA-N	302.309	1.402	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)C2CCOCC2)C[C@H]1C	1349838562	IMFGNUZJFBNVJP-RISCZKNCSA-N	310.394	1.885	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@H]1CC(c2cnn(C)c2)=NO1	1358400269	YDKGMPDRBRIODI-CQSZACIVSA-N	317.324	1.504	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc(OCC2CC2)nc1	1353873616	ZLLXBGRVCSAVCO-UHFFFAOYSA-N	322.434	1.778	50	20	DDGD	
O=C(NNC(=O)C(=O)O)N[C@H]1CCCC[C@@H]1Cc1ccccc1	1608476882	AXEHPNLPLONVQE-OLZOCXBDSA-N	319.361	1.203	50	20	DDGD	
O=C(O)CCc1ccccc1C(=O)NNC(=O)[C@H]1CCCS1	1602045687	STSFPPPXSYCSAA-GFCCVEGCSA-N	322.386	1.360	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc(/C=C\C(=O)O)o1)C1CC1	1604319997	VDFSLARDRNMYMT-TVSKSKRASA-N	323.374	1.285	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1F)c1cc(C(=O)O)on1	1608481679	MCRDOESRBWEEAU-UHFFFAOYSA-N	301.180	1.547	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1F)c1ccc([N+](=O)[O-])[nH]1	1608483711	XMQMYJQUTDACPH-UHFFFAOYSA-N	308.225	1.517	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1ccccc1O[C@H](C)C(=O)O	1606900743	USUPIGRNROBGTM-VSXLWIIGSA-N	319.313	1.635	50	20	DDGD	
COCCN(CC(C)C)NC(=O)c1coc(/C=C\C(=O)O)c1	1604597811	NJKUAZBNWHXQNN-PLNGDYQASA-N	310.350	1.627	50	20	DDGD	
O=C(Cn1cc(Cl)cn1)NNc1ccc(C(=O)O)c(F)c1	1601383258	DBJCNNSXYMDVOI-UHFFFAOYSA-N	312.688	1.517	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@@H]1c1nccn1C)[C@@H]1CCCO1	1549308499	BVUDPKJLZSPSIX-RDBSUJKOSA-N	320.393	1.559	50	20	DDGD	
O=C(O)C(=O)NN=Cc1ccc(OCC(F)(F)F)c(F)c1	1610714334	OUXPEULXOGQMMU-UHFFFAOYSA-N	308.187	1.302	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=C[C@@H]1CCCO[C@@H]1c1cnn(C)c1	1552763459	UGGPJLZQCJXQFV-MHEUCROKSA-N	320.393	1.415	50	20	DDGD	
C[C@@H](N)c1ccc(C(=O)NNc2ncccc2[N+](=O)[O-])cc1	1576165782	USGVZHHMNOAOEJ-SECBINFHSA-N	301.306	1.766	50	20	DDGD	
C[C@H](N)CC(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	1579478063	OEQRVUZUKQEGDV-LURJTMIESA-N	306.244	1.794	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1CCN[C@H]([C@H]2CCCO2)C1	1575231279	MSNIFNOUMSAYAV-GRYCIOLGSA-N	313.398	1.090	50	20	DDGD	
Cc1cccc2c1C[C@@H](C(=O)NNC(=O)NCC(F)(F)F)N2	1579777359	WPHBUTPERODLIY-JTQLQIEISA-N	316.283	1.224	50	20	DDGD	
CC[C@H](C)C[C@@H](N)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	1576984584	ZDXXTMOCVJQQDS-IINYFYTJSA-N	323.393	1.228	50	20	DDGD	
O=C(CCOc1cccc(F)c1)NNc1ncccc1C(=O)O	1574522394	ZZTYUHIADUDPMP-UHFFFAOYSA-N	319.292	1.831	50	20	DDGD	
O=C(CCSc1ccccc1Cl)NNC(=O)[C@@H]1CCN1	1580541406	RZHIREHRRKVGOP-JTQLQIEISA-N	313.810	1.332	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)/C=C/c1ccc(C(=O)O)o1)C1CC1	1589121382	KEVVVHDHUDBXQT-WVXIBAHESA-N	323.374	1.285	50	20	DDGD	
C[C@@H](CBr)COC(=O)C1(CC(=O)O)CCOCC1	1588988018	PRIBDFRXGOOAQT-VIFPVBQESA-N	323.183	1.832	50	20	DDGD	
C[C@H]1CCC[C@@H](OCC(=O)NNc2ncccc2C(=O)O)C1	1589315994	VCXQZWYZJCJLSV-WDEREUQCSA-N	307.350	1.818	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)CC(F)(F)F)C1	1842804743	RBBDCVKCVYOBEG-MRVPVSSYSA-N	316.682	1.677	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1ccc(F)c(C(=O)O)c1)C(C)C	1599049645	MLQYTZKURBFCDU-LBPRGKRZSA-N	313.329	1.821	50	20	DDGD	
CO[C@H]1COCC[C@@H]1CC(=O)NNc1ccccc1C(=O)O	1599141370	WZAUXYAMDGQCRX-MFKMUULPSA-N	308.334	1.270	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)c1ccn(C)n1	1776045368	ARJKGJZHHYDBSU-UHFFFAOYSA-N	301.306	1.664	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)C(C)C)CCO2)C1	1781214088	PNMZBEDRCXGNRU-IUODEOHRSA-N	316.829	1.490	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC#N	1795459316	DFISRIBVIUXJDK-YVECIDJPSA-N	311.813	1.946	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc(F)cc2cccnc12	162815286	SIBFYHAYHWMHPH-UHFFFAOYSA-N	302.309	1.728	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)s1	158657307	LMDJIQBEDCULFI-CMPLNLGQSA-N	324.450	1.729	50	20	DDGD	
COC(=O)NNC(=O)CCc1cc(F)ccc1Br	158857955	YDUYVYRGHZWPDB-UHFFFAOYSA-N	319.130	1.908	50	20	DDGD	
O=C(NCc1ccc(O)c(F)c1)NNc1cncc(Cl)n1	163651254	BTCLNVMZLFNBPO-UHFFFAOYSA-N	311.704	1.801	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)c1cc(Cl)cnc1N	164755940	NTHQYZJVTFGEEG-UHFFFAOYSA-N	320.802	1.063	50	20	DDGD	
O=S(=O)(CCl)NCCCn1cc(Br)cn1	309061228	WCAASLIOZOMYJX-UHFFFAOYSA-N	316.608	1.151	50	20	DDGD	
NC(=O)NN=CC1CCN(C(=O)OCc2ccccc2)CC1	496836855	KBHRVFUNRCNLQB-UHFFFAOYSA-N	304.350	1.689	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2cc(Br)ccc2O)n[nH]1	2300855	VTUMNUDJMCBUOT-UHFFFAOYSA-N	323.150	1.950	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)cc1	6982718	NMGGQULFEOLQQQ-UHFFFAOYSA-N	315.329	1.033	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc2c(c1)C[C@H](C)O2	106007162	WFEHRALVZQAORW-UWVGGRQHSA-N	312.391	1.366	50	20	DDGD	
CCCN1CC[C@H](CNC(=O)NNc2cccc([N+](=O)[O-])c2)C1	54805997	BRSGGBZIBMMZNX-GFCCVEGCSA-N	321.381	1.953	50	20	DDGD	
Cc1cc2ccccc2n1CC(=O)NNC(=O)Cc1cc[nH]n1	106417550	UBKHZPWNFWDRAN-UHFFFAOYSA-N	311.345	1.063	50	20	DDGD	
Cc1nn(-c2ccccc2)c(C)c1CC(=O)NNc1cccnn1	179380170	SJIZBCLJSWMDFI-UHFFFAOYSA-N	322.372	1.965	50	20	DDGD	
O=C(NNc1cccnn1)[C@H]1CCCN1Cc1ccc(F)cc1	176164528	VIESPSSCEMJWJA-CQSZACIVSA-N	315.352	1.723	50	20	DDGD	
CC(C(=O)NNC(=O)COc1ccc(C#N)cc1)=C1CCCC1	176500568	ITDBBSYTMFBJGO-UHFFFAOYSA-N	313.357	1.975	50	20	DDGD	
O=C(NNC(=O)c1cccnc1S)c1ccc2ccccc2n1	29384522	DFQWWJQDMZGLRD-UHFFFAOYSA-N	324.365	1.993	50	20	DDGD	
Cc1cccc(CCNC(=O)NNC(=O)Cc2cccnc2)c1	103515187	PBBCBTXLCKXGAG-UHFFFAOYSA-N	312.373	1.506	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CC(=O)NNc1cccnc1Cl	176245660	OQUQXZRWYMHDGK-UHFFFAOYSA-N	310.701	1.291	50	20	DDGD	
COc1cccc(CCCNC(=O)NNC(=O)c2ccc[nH]2)c1	171329212	APHKYHJBCRCPNF-UHFFFAOYSA-N	316.361	1.600	50	20	DDGD	
Cc1ncccc1C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	170994711	FUOWHYGGWQFBHT-UHFFFAOYSA-N	321.340	1.855	50	20	DDGD	
Cc1nn(C)cc1C(=O)NNC(=O)Cn1ccc2ccccc21	113050594	BTIBBRQLIRHGQW-UHFFFAOYSA-N	311.345	1.144	50	20	DDGD	
C[C@H](OCC1CC1)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	64462463	UUTDWRUMIFAQND-QWRGUYRKSA-N	324.352	1.556	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(OCC2CC2)cc1	65204534	ABYSJAUINNALRT-UHFFFAOYSA-N	321.377	1.456	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NCc1ccncc1	69720644	QMWODANCJXPGQS-UHFFFAOYSA-N	312.373	1.935	50	20	DDGD	
O=C(CCc1ccc(F)cc1F)NNC(=O)Cc1cc[nH]n1	186110163	YYTQTZZXVSPBLH-UHFFFAOYSA-N	308.288	1.011	50	20	DDGD	
COc1ccc(C)cc1NC(=O)C(=O)NNc1ccccn1	181405093	BFGHBBNDXVCGNM-UHFFFAOYSA-N	300.318	1.480	50	20	DDGD	
O=C(NNc1ccncc1)Nc1cc(C(F)(F)F)c[nH]c1=O	121890226	RHZNMPHGKDPBKX-UHFFFAOYSA-N	313.239	1.937	50	20	DDGD	
CN1CCO[C@@H](C(=O)NNc2c(Cl)cc(F)cc2Cl)C1	126180971	IEVTUFRYUATKSR-SNVBAGLBSA-N	322.167	1.906	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1cc(F)c(O)c(F)c1	186795018	MQGUSYLXXRTBGE-UHFFFAOYSA-N	324.258	1.813	50	20	DDGD	
Cc1cc(F)ccc1S(=O)(=O)NNC(=O)c1cccn1C	71836315	BCIVKAAGHCHZKA-UHFFFAOYSA-N	311.338	1.096	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C2=CCCCO2)c1	72795891	WIEJZRCVIIQPAD-UHFFFAOYSA-N	304.346	1.524	50	20	DDGD	
COCc1cccc(CNC(=O)NNC(=O)c2ccc[nH]2)c1	125980859	HBHWMPLGEOHNLS-UHFFFAOYSA-N	302.334	1.305	50	20	DDGD	
CC[C@H](C)[C@H](C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	182348977	LBELQVOADZGLTH-MJVIPROJSA-N	306.362	1.656	50	20	DDGD	
COc1cccc(NNC(=O)[C@@H](C)Cc2c(C)nn(C)c2C)n1	180684279	UJYHMNWYGSDKER-JTQLQIEISA-N	317.393	1.762	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(F)cc2C)o1	129673181	GIKSYTUCOXSNQU-UHFFFAOYSA-N	319.292	1.435	50	20	DDGD	
CC[C@H](C(=O)NNc1nc2ccccc2c(=O)n1CC)N(C)C	124691431	SJMADAGCWIIEJG-CYBMUJFWSA-N	317.393	1.200	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCc1cncn1C	121415033	NDBGBTUIJMJMQL-UHFFFAOYSA-N	309.801	1.445	50	20	DDGD	
CCc1ccccc1NC(=O)C(=O)NNC(=O)c1ccc(C)o1	129661808	JSAPZRQNCGJXKO-UHFFFAOYSA-N	315.329	1.550	50	20	DDGD	
CNC(=O)c1ccc(C)c(NC(=O)NNC(=O)CC(C)(C)C)c1	183588471	RBFBPBGCXGOPBG-UHFFFAOYSA-N	320.393	1.944	50	20	DDGD	
N#C/C(=C/c1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCCO1	212129415	YDXCYCJGRBLAOQ-LLBKUYECSA-N	301.302	1.797	50	20	DDGD	
COC(C)(C)CNC(=O)NNC(=O)c1c[nH]c2ccccc12	75310850	NWPLGQBTKRYCKQ-UHFFFAOYSA-N	304.350	1.537	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCCc1ccnn1C	186724389	JUMHRQHHICLDQJ-UHFFFAOYSA-N	316.365	1.307	50	20	DDGD	
CSCC[C@@H](NC(N)=O)C(=O)NNc1c(C)cccc1F	184331692	RCIRBQBFNNGNFY-SNVBAGLBSA-N	314.386	1.367	50	20	DDGD	
CC[C@@]1(C(=O)NNc2nc(-c3ccccc3)no2)CCCN1	134470998	JEAQDHVPZYQBAZ-HNNXBMFYSA-N	301.350	1.712	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1cccc2ccccc12	42899301	MYGTVRZSYDIYEJ-UHFFFAOYSA-N	315.373	1.749	50	20	DDGD	
CN(C)C(=O)NNC(=O)CSCc1cccc(Cl)c1	194936477	YVFGCJNTHBRQPB-UHFFFAOYSA-N	301.799	1.876	50	20	DDGD	
CC(C)Cc1ccc([C@H](C)C(=O)NNC(=O)C(C)(C)O)cc1	192920707	PAGLSWGCHJWIBZ-LBPRGKRZSA-N	306.406	1.907	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)[C@@H]1Cc2cc(F)ccc2O1	191885933	DYCVSPPXCIEKOZ-LBPRGKRZSA-N	313.292	1.315	50	20	DDGD	
COc1cccc(C)c1NC(=O)C(=O)NNc1ccc(C#N)cc1	193883179	NILYOXJGUVGBEG-UHFFFAOYSA-N	324.340	1.957	50	20	DDGD	
C=CCN(CCOC)C(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	191974191	NTYBWONZYQXDDO-OQLLNIDSSA-N	312.373	1.773	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCCOc1cccc(C)c1	41961842	XRCJGAZJUYJREF-UHFFFAOYSA-N	307.419	1.835	50	20	DDGD	
CO[C@@H](C)CS(=O)(=O)NNC(=O)c1cc2ccccc2o1	193333071	WFNXOACAUQUDSL-VIFPVBQESA-N	312.347	1.032	50	20	DDGD	
CN1CCC[C@H]1C(=O)N1CCN(/C(=C/C#N)c2ccccc2)CC1	141499729	GPZXYXHFYJWUSW-GONKEYIRSA-N	324.428	1.789	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCCNC(=O)OC(C)(C)C)n1	263809429	ZFDLQDQNPFNVCS-UHFFFAOYSA-N	324.385	1.244	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1c(F)cc(C#N)cc1F	268132068	OUXQEAULKICZGM-UHFFFAOYSA-N	317.317	1.192	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC2CCC3(CC2)OCCO3)o1	267734394	AJPXWUKASBNQAM-UHFFFAOYSA-N	323.349	1.218	50	20	DDGD	
COCCC[C@@H](C)C(=O)NNC(=O)COc1ccccc1OC	272090872	IOWRYUVXDDQQDS-GFCCVEGCSA-N	324.377	1.284	50	20	DDGD	
C[C@@H](NC(=O)NNc1cncc(Cl)n1)C1=CCN(C)CC1	272983146	PGWLLHUJHIRDBR-SECBINFHSA-N	310.789	1.407	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)NCCOC(C)C)c1	273596194	WMKQGWLYPWEGQI-UHFFFAOYSA-N	323.393	1.438	50	20	DDGD	
CC(C)Oc1cc(F)ccc1NC(=O)NNC(=O)CN(C)C	274896699	RCTPXWCXOMLCRW-UHFFFAOYSA-N	312.345	1.327	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(F)cc1Br	288068375	AJDACIOMOFRFFK-UHFFFAOYSA-N	305.147	1.811	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)/C(C#N)=C\c2ccc(O)cc2)[C@@H]1OC	280143095	HGRHFGJKWPSUCI-QJUFQTRISA-N	316.357	1.608	50	20	DDGD	
CO[C@H]1CCN(C(=O)NNC(=O)c2cccc(C)n2)[C@@H](C)C1	282672088	KQQHOJFXXQNGNM-RYUDHWBXSA-N	306.366	1.244	50	20	DDGD	
CO[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1cccc(C)n1	280832336	JUTSXWRZVVXKHM-AAEUAGOBSA-N	306.366	1.292	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C(C)(C)C2CCOCC2)n1	280241276	IDLHMNIQXLEIGI-UHFFFAOYSA-N	305.378	1.604	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H](C)C(C)(F)F	294864846	YKUQBSHCCSFLGI-SECBINFHSA-N	300.305	1.676	50	20	DDGD	
COC[C@@H](C)CNC(=O)NNC(=O)Nc1cc(F)cc(F)c1	296468941	WMYHZYKJBABDOF-QMMMGPOBSA-N	316.308	1.583	50	20	DDGD	
C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NNc1ccncn1	295435155	JYOFVXOQSCRDFR-SNVBAGLBSA-N	309.370	1.423	50	20	DDGD	
CC[C@H](C)N[C@@H](CNC(=O)NNc1ncccn1)c1ccco1	807442663	KOHOFLGZOFJVJM-RYUDHWBXSA-N	318.381	1.825	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)c2ccc(O)nc2)cc1	802121386	BDLWWYANJIXGRS-UHFFFAOYSA-N	315.333	1.320	50	20	DDGD	
O=C(C[C@H]1OC(=O)c2ccccc21)NNc1ncccc1F	804220417	YBYITKUPTJGANZ-GFCCVEGCSA-N	301.277	1.966	50	20	DDGD	
N#Cc1ccncc1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	805155080	VMXVCBDUIZDIER-UHFFFAOYSA-N	324.384	1.931	50	20	DDGD	
C[C@@H](C(=O)NNc1ccncn1)[C@@H]1OCCc2sccc21	295453408	LGPMKOTVOSSASI-RNCFNFMXSA-N	304.375	1.931	50	20	DDGD	
O=C(NC[C@H]1COc2ccccc21)NNC(=O)[C@@H]1CCCCO1	297050121	KWWCMMUNIFCJPW-FZMZJTMJSA-N	319.361	1.062	50	20	DDGD	
CSSCCNC(=O)[C@H]1COCCN1CC(F)F	803478916	ZFTKNNOOVRSZJC-MRVPVSSYSA-N	300.396	1.080	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)NOCC1CC1	297448977	PTPLOWCJMRTMTQ-UHFFFAOYSA-N	323.349	1.136	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cc([N+](=O)[O-])c(F)cc1N	801962648	NXYLHEKIPGMSJT-UHFFFAOYSA-N	305.269	1.776	50	20	DDGD	
COCc1cnc(NC(=O)NNC(=O)CC(F)(F)F)s1	806610808	ZBUZUMVILZMUBN-UHFFFAOYSA-N	312.273	1.395	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)Nc1ccc(F)c(F)c1F	296062296	CCJVQOCSSQRSHV-SECBINFHSA-N	317.267	1.826	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCC(F)(F)C1	807369131	QQKBQWKONLNAJQ-SECBINFHSA-N	308.325	1.358	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)n(C)n1	802003853	XPENGNLDFSWVQR-UHFFFAOYSA-N	309.276	1.473	50	20	DDGD	
CCN(CC)c1ccc(CNC(=O)NNC(=O)CC(C)C)cn1	298664150	PBDNJFZRAFRELA-UHFFFAOYSA-N	321.425	1.804	50	20	DDGD	
COc1ccc(NNC(=O)Cc2cncn2C)c([N+](=O)[O-])c1	807099298	QJJOJYHIKMJPMZ-UHFFFAOYSA-N	305.294	1.023	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccnc(N2CCC[C@H](C)C2)c1	813424074	FUUMXTWNSXVHCY-NSHDSACASA-N	305.382	1.282	50	20	DDGD	
O=C(NN=C[C@@H]1CCCOC1)C1CCN(c2ncccn2)CC1	814837479	XCKHKTWTJHDKGW-ZDUSSCGKSA-N	317.393	1.222	50	20	DDGD	
CCc1nn(C)c(Cl)c1C=NNC(=O)N=c1cc[nH]cc1	815002827	SLAKVPKVXQDULC-UHFFFAOYSA-N	306.757	1.608	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2cc(F)c(F)cc2F)c[nH]1	815856404	KJZKEZSFXDLVAW-UHFFFAOYSA-N	313.235	1.976	50	20	DDGD	
C[C@H](OC1CCCCCC1)C(=O)NNC(=O)c1ccnnc1	817693254	LMCIMIPINIBYKU-NSHDSACASA-N	306.366	1.366	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CCc2cnn(C)c2)ccc1C	816689261	AGQWSVSWEOVMMM-UHFFFAOYSA-N	316.361	1.591	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)[C@@H]1CCc2nncn2C1	815855355	OJHWYBYNIFJRTJ-SECBINFHSA-N	323.303	1.585	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)c1ccc[nH]1)c1ccc(Cl)cc1	814796988	ZFNMIDYRBSWUMI-AWEZNQCLSA-N	307.737	1.337	50	20	DDGD	
O=C(NC[C@@H]1C[C@H]2C=C[C@H]1CC2)NNC(=O)c1ncccn1	817171696	ZXVWMURGIRNRJH-SRVKXCTJSA-N	301.350	1.023	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NN=C(C)c2ccc(N)nc2)c1	814883490	PIMUGDYOPYCGBV-UHFFFAOYSA-N	312.333	1.171	50	20	DDGD	
COc1cc(C)ccc1NC(=O)C(=O)NNc1ncncc1F	815763817	BSNAAAZTZHNWDK-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
CCOC(=O)N[C@H](CNS(=O)(=O)CCl)CC(C)C	820784859	AHSGZJHJIQOXAR-VIFPVBQESA-N	300.808	1.263	50	20	DDGD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NNc1nc2c(C)cccc2s1	828359318	YLLZKURDTUMGCH-DTWKUNHWSA-N	305.359	1.857	50	20	DDGD	
CCCCNC(=O)NNC(=O)/C(C#N)=C/c1ccc(O)cc1	491087255	WOJQPEXQSWVFLF-FMIVXFBMSA-N	302.334	1.430	50	20	DDGD	
C[C@@H]1COCCN1CCNC(=O)/C(C#N)=C\c1ccc(O)cc1	490979080	XLNBYSYWEXVKIB-NWFCWYBLSA-N	315.373	1.136	50	20	DDGD	
CC[C@@H](C)[C@@H](C)NC(=O)NNC(=O)CNC(=O)OC(C)(C)C	494456562	UYLHWFMFINRAOI-NXEZZACHSA-N	316.402	1.276	50	20	DDGD	
O=C(NNC(=S)Nc1ccc(Cl)nc1)c1cccnc1	727064749	AQYCOTBCCPFVEC-UHFFFAOYSA-N	307.766	1.761	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(Br)ccc1OC	495625217	JXGRFUHEDCUIHV-UHFFFAOYSA-N	317.139	1.801	50	20	DDGD	
CCn1cc(Br)cc1C(=O)NNC(=O)C(C)C	725879991	UUELXEGOQZZAHI-UHFFFAOYSA-N	302.172	1.688	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NOC/C=C/Cl)cc(C#N)n1C	491011491	OZLCYDQYQYZPOR-JIJKKIFDSA-N	304.737	1.912	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(Cc1cccc(F)c1)C(C)C	827486844	ORNOYYKTQKYNCT-UHFFFAOYSA-N	309.385	1.840	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C	497226292	IFIAAAOYRYPJFJ-ZJUUUORDSA-N	301.387	1.339	50	20	DDGD	
CON1CCC(N(C)C(=O)/C(C#N)=C/c2ccc(O)cc2)CC1	491013948	VUHMUGZFDGOFBA-SDNWHVSQSA-N	315.373	1.783	50	20	DDGD	
Cc1cccn2cc(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)cc12	823473227	AZIHREMXVSTASC-YPMHNXCESA-N	301.346	1.434	50	20	DDGD	
Cc1ccc(C(C)(C)CNC(=O)c2cccc(B(O)O)c2)cc1	584943310	KUKLWIUIIAMVHS-UHFFFAOYSA-N	311.190	1.382	50	20	DDGD	
O=C(NN=Cc1cn(Cc2ccccc2)nn1)C1CCOCC1	901275904	CLAWWLUPODSLMZ-UHFFFAOYSA-N	313.361	1.203	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@@H](C(C)C)[C@H](O)c1ccccc1	829634339	FRBGOONVKKMDMD-JKSUJKDBSA-N	321.421	1.138	50	20	DDGD	
CCN(CCO)NC(=O)CCc1ccc(OC)c(Cl)c1	823842322	QJNRFPOKGYHIEP-UHFFFAOYSA-N	300.786	1.627	50	20	DDGD	
O=C(NCB(O)O)c1c(Br)ccc2ccccc12	585063266	VTDLHPXKMOOXOW-UHFFFAOYSA-N	307.940	1.344	50	20	DDGD	
C[C@]1(C(=O)NCCOc2ncccc2F)C[C@@H]1Br	907087656	JCQRCDAFQISWPX-CABZTGNLSA-N	317.158	1.889	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)C1(c2cccc(F)c2)CC1	734548068	WZXYMSZIJJKMSP-UHFFFAOYSA-N	304.243	1.957	50	20	DDGD	
CC(C)COc1ccccc1CNCc1cccc(B(O)O)c1	585018845	UTNSIVDDRJZBCD-UHFFFAOYSA-N	313.206	1.691	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C	496878411	ZDRTVQXHPSINCN-JTQLQIEISA-N	301.387	1.435	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H](C(=O)NNC(=O)C1CC1)C(C)(C)C	496743431	UNTYPEPFNRBCDZ-SNVBAGLBSA-N	313.398	1.483	50	20	DDGD	
Cc1[nH]c(C(=O)NN(C)[C@H](C)CO)c(C)c1C(=O)OC(C)C	823983287	PUEDWQVFSSHVCN-SECBINFHSA-N	311.382	1.154	50	20	DDGD	
CCC(=NNC(=O)[C@@H](C)OCCOC)c1cccc(C#N)c1	905450459	RRJXGZOKIYMMJB-GFCCVEGCSA-N	303.362	1.840	50	20	DDGD	
COC[C@@H](NCc1ccc(B(O)O)cc1)c1ccc(F)c(F)c1	585033539	DQUJEKFDJUSHMZ-MRXNPFEDSA-N	321.132	1.122	50	20	DDGD	
O=C(Cc1ccsc1)NNC(=O)Nc1ccc2c(c1)OCO2	734513807	UWEWAKKIABODNC-UHFFFAOYSA-N	319.342	1.872	50	20	DDGD	
C[C@]1(C(=O)N2CCN(c3ncc[nH]3)CC2)C[C@H]1Br	907762303	AGNOVLVZYHJKNZ-SKDRFNHKSA-N	313.199	1.232	50	20	DDGD	
COC(=O)N(C)NC(=O)c1nc(C)n(-c2ccc(F)cc2)n1	496813988	INUNCENDCZROCO-UHFFFAOYSA-N	307.285	1.058	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNc1cc(C#N)cc(Cl)n1	494057727	FHOQOBWPPPMSBK-UHFFFAOYSA-N	311.729	1.184	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@@H]1CN1CCCC1	731850032	LMRSVFBDQCKWOA-LSDHHAIUSA-N	324.469	1.129	50	20	DDGD	
CCN(CC)CCOCCNC(=O)[C@@]1(C)C[C@@H]1Br	907351618	GHONYCJNLUBXRV-AAEUAGOBSA-N	321.259	1.635	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc2c(n1)CCC2	831854828	DUIIUQCFFSHVQN-GXSJLCMTSA-N	304.350	1.148	50	20	DDGD	
Cc1ncc2c(n1)CC[C@H](NC(=O)[C@]1(C)C[C@@H]1Br)C2	905920489	CDGSSGAVWBTOGT-VHRBIJSZSA-N	324.222	1.932	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2nnc(O)c3ccccc23)[C@@H](C)O1	834926632	TVAZVWMKRFSPGY-DTWKUNHWSA-N	300.318	1.619	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C[C@H]2CCOC2)cc1	739535242	XSOKEFCPPCPOIK-CYBMUJFWSA-N	306.362	1.202	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)c2c[nH]c3ccccc23)CCOC1	733351994	KPIVZJRBPHTYGY-INIZCTEOSA-N	316.361	1.539	50	20	DDGD	
COc1ccc(O)c(C(=O)NNC(=O)c2ccccc2OC)c1	731491883	ZZRMNSKBOUSTIS-UHFFFAOYSA-N	316.313	1.484	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CC2CCN(C)CC2)cc1F	837059400	UGIPORFTFOBFFR-UHFFFAOYSA-N	323.368	1.787	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	838761263	NCTPMVAEHGVKPV-WDMOLILDSA-N	319.361	1.201	50	20	DDGD	
CC(C)(C)N1C[C@@H](C(=O)NNc2cccc(C(=O)O)c2)CC1=O	833431469	NJDAEYCPKCSUDY-NSHDSACASA-N	319.361	1.475	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)[C@H]1CCCc2nn[nH]c21	830806855	WYDYFNNVPQPGSR-JTQLQIEISA-N	323.303	1.969	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNc2ccc(C#N)c(Cl)c2)CC1=O	839726257	NCISDZFOHBQGTD-NSHDSACASA-N	320.780	1.913	50	20	DDGD	
CCCN1C(=O)C(=NNC(=O)c2cnn(C)c2)c2ccccc21	735411248	SYESAVNZIDMCDC-UHFFFAOYSA-N	311.345	1.311	50	20	DDGD	
COC(=O)c1cc(/C=C(/C#N)S(=O)(=O)NC2CC2)cs1	901496446	WAQAEVGTWCZNAN-WMZJFQQLSA-N	312.372	1.481	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1CCCc2nc(N)ccc21	834931896	YZATYHGLLCHOKM-UHFFFAOYSA-N	303.410	1.552	50	20	DDGD	
C[C@]1(CNC(=O)NNc2c(F)cccc2Cl)CCC(=O)N1	838735633	UCSBQFCUMIWMAO-CYBMUJFWSA-N	314.748	1.774	50	20	DDGD	
O=C(C[C@@H]1CCc2ccccc21)NNC(=O)[C@@H]1CCCCO1	833250884	NKZKYTRJTQXTRA-ZFWWWQNUSA-N	302.374	1.823	50	20	DDGD	
CC(C)COc1ccccc1C=NNC(=O)C(=O)NC(C)C	834934478	SUIYTLRNTGLONP-UHFFFAOYSA-N	305.378	1.696	50	20	DDGD	
CC(C)Cn1ncc(NCc2ccc(B(O)O)cc2)c1C1CC1	585040727	HPUOSMMXNZQTFG-UHFFFAOYSA-N	313.210	1.708	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)CCCc1ccccc1)N(C)C	836275285	XLGRJDYASIUMLF-ZDUSSCGKSA-N	306.410	1.290	50	20	DDGD	
CC(=O)N[C@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1)C(C)C	736145788	VONLQZWBPDBXBV-LBPRGKRZSA-N	324.289	1.359	50	20	DDGD	
CC(C)(C)[C@@H](NC(N)=O)C(=O)NN=c1cc[nH]c2ccccc12	839662959	AHIHQVPMTDDIEL-ZDUSSCGKSA-N	315.377	1.183	50	20	DDGD	
CCOc1ccc(C(C)=NNC(=O)CN2CCCC2=O)cc1	916359163	MWNMNGNPEJYSQW-UHFFFAOYSA-N	303.362	1.548	50	20	DDGD	
CCc1n[nH]cc1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	917918944	IAUQWSXOIVKQAC-SECBINFHSA-N	320.324	1.340	50	20	DDGD	
COC1(OC)CCOC[C@@H]1NC(=O)[C@]1(C)C[C@@H]1Br	912842303	YUKKSZIAHBCYNA-ATZCPNFKSA-N	322.199	1.054	50	20	DDGD	
CN1CCN(C(=O)CCCC[C@H]2CCSS2)[C@@H](CN)C1	834303857	QEBVIDXDLMITLV-STQMWFEESA-N	317.524	1.802	50	20	DDGD	
CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1csc(C)c1	834944261	MXNVPPQKXURKKH-NSHDSACASA-N	315.420	1.267	50	20	DDGD	
C[C@@H]1CC=C(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)CC1	839474768	YYAUTQBDVHBBPE-RDBSUJKOSA-N	323.437	1.380	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H](NC2CCOCC2)C(C)C)cc1	746887358	UFGSODRJXHGRHC-INIZCTEOSA-N	321.421	1.932	50	20	DDGD	
CC(C)CN1C[C@H](C(=O)NNc2cccc([N+](=O)[O-])c2)CC1=O	748004293	AMARZQNPYQJNSS-LLVKDONJSA-N	320.349	1.542	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1cc2cccc(F)c2o1	743471447	IFIMCIMYYSVPMG-UHFFFAOYSA-N	312.264	1.995	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)CC(F)(F)F)c1ccccc1	918064387	FZHNSJUXPSJHFU-SNVBAGLBSA-N	319.283	1.657	50	20	DDGD	
COc1cc(Br)c(C=NNC(=O)N(C)C)cc1O	745605763	ZZXRZOBFPFYPBD-UHFFFAOYSA-N	316.155	1.768	50	20	DDGD	
CCN(Cc1occc1C)C(=O)NNC(=O)Cc1cccnc1	841578408	LHEFBIOTRGYJEV-UHFFFAOYSA-N	316.361	1.788	50	20	DDGD	
CO[C@]1(C=NNC(=O)c2c(C)nc3ccccn23)CCOC1	841606268	BRSBKSWUYIHZDG-HNNXBMFYSA-N	302.334	1.164	50	20	DDGD	
O=C(COc1ccccc1F)NN=C1COc2cc(O)ccc21	915944418	PSAHMLMASNDDID-UHFFFAOYSA-N	316.288	1.823	50	20	DDGD	
CCOCCNC(=S)NNC(=O)c1cc2ccccc2o1	749831035	CZKQZWBJKXWDCV-UHFFFAOYSA-N	307.375	1.578	50	20	DDGD	
CC1(NC(=S)NNC(=O)c2cccc([N+](=O)[O-])c2)CCC1	840702579	FOAVCKITNNHFSX-UHFFFAOYSA-N	308.363	1.646	50	20	DDGD	
O=C(NCCCN1CCOCC1)NNc1cc(F)ccc1F	913836706	CGEGJGOTLYVQKS-UHFFFAOYSA-N	314.336	1.313	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2ccc(CC(=O)OC)cc2)n1	846375827	LNLZMPCOIGGJAB-UHFFFAOYSA-N	317.349	1.079	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(C(F)F)cc1F	847098809	OYXCEHDTILJMHK-IONNQARKSA-N	316.279	1.949	50	20	DDGD	
Cn1nnc2cc(NS(=O)(=O)CCCCCl)ccc21	842588349	PRLNLOLFJYJZMK-UHFFFAOYSA-N	302.787	1.729	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N1CCO[C@@H](CF)C1)c1ccccc1	841584861	QYPHTVVTECSRKU-ZDUSSCGKSA-N	323.368	1.375	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNc1ncc(Br)cn1	848319871	DYYLCOMUWPOOFZ-QMMMGPOBSA-N	315.171	1.663	50	20	DDGD	
O=C(O)CCOc1ccc(C=NNC(=O)CC(F)(F)F)cc1	917552206	ORDADTOLDMCAIA-UHFFFAOYSA-N	318.251	1.943	50	20	DDGD	
CCNCCCNC(=O)NNc1cccc(C(=O)OC)c1F	841917668	RNYUEUBQSMHGKF-UHFFFAOYSA-N	312.345	1.238	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](CC)C(=O)NCc1cccs1	844026895	WHXOZYZIOZDCPY-OCHBPSSRSA-N	321.402	1.703	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NNC(=S)NC1(C)CCC1	840703385	WYZBOMCFXUPKRG-GFCCVEGCSA-N	312.483	1.546	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)cc1	846377393	CSZOSHHMZONZAZ-BPLDGKMQSA-N	304.346	1.270	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1C[C@H](OC(C)(C)C)C1(C)C	840479954	LCMBIDCNZLYHJK-MNOVXSKESA-N	315.414	1.336	50	20	DDGD	
CN(CC(=O)NNC(=O)C(C)(C)C)[C@H](CCO)c1ccccc1	744411466	FEKWEVIAKLGKON-CQSZACIVSA-N	321.421	1.235	50	20	DDGD	
COc1cc(C(C)=NNC(=O)[C@H]2CCCCO2)cc(OC)c1O	842535690	ISTSMRDYZOTIBM-GFCCVEGCSA-N	322.361	1.819	50	20	DDGD	
C[C@@H]1CCCCCC1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	844579042	QIDLENWDCQLDCN-GHMZBOCLSA-N	301.412	1.429	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc2cc(F)ccc2[nH]1	843975222	QPLMSXABUAITSK-LDYMZIIASA-N	305.309	1.493	50	20	DDGD	
CCNC(=O)NC1(C(=O)NNc2cccc(C#N)c2)CCCC1	748049656	BBSQLDMWSXJHIF-UHFFFAOYSA-N	315.377	1.633	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)N1C2CCCC1CCC2	743589010	NWVAWTHHMMWTGQ-UHFFFAOYSA-N	302.378	1.772	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ccc2c(c1)OCO2	920957476	GUOWMUCWEADQRE-UHFFFAOYSA-N	302.246	1.475	50	20	DDGD	
O=C(CNC(=O)Nc1ccccc1)NNC(=O)NC1CCCC1	744053984	LBGDJYRNRRUXNW-UHFFFAOYSA-N	319.365	1.081	50	20	DDGD	
CC[C@H]1CC[C@@H](C(=O)NNc2ccc(CC(=O)OC)cc2)O1	846374458	QBZMDGPYFAYAQK-KBPBESRZSA-N	306.362	1.803	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)C(=O)N1CCC[C@H](C)C1	846641917	UYDQNRJOMOLYDV-JTQLQIEISA-N	309.341	1.536	50	20	DDGD	
Cc1csc(=O)n1CCC(=O)NNc1ncc(Cl)cn1	857356354	YBLNWYOKCURNCW-UHFFFAOYSA-N	313.770	1.195	50	20	DDGD	
C[C@H](c1ccccc1)[C@@H](CO)NC(=O)NNC(=O)C1CCCC1	753343834	KJDOFKDTUNWDMY-IUODEOHRSA-N	319.405	1.672	50	20	DDGD	
C/C=C/C[C@H](CO)NC(=O)NC[C@]1(C)C[C@H]1Br	856903637	RNFCPIGVILZEBK-CBUGNLOUSA-N	305.216	1.786	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=S)NCC2CCC2)cc1O	855089596	XSNPOCVTQISUJR-UHFFFAOYSA-N	304.375	1.173	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)OCC(F)(F)F)c(C2CCC2)n1	856026467	ZNAUNUZHIBYVRE-UHFFFAOYSA-N	320.271	1.621	50	20	DDGD	
C[C@]1(CNC(=O)NCCCc2nc[nH]n2)C[C@H]1Br	856960013	LDLFPRCMHQVXCL-LDYMZIIASA-N	316.203	1.210	50	20	DDGD	
C/C=C/COc1cccc(CC(=O)NN(C)C(=S)NC)c1	854922122	YGPJXWCYIXTOMQ-SNAWJCMRSA-N	307.419	1.651	50	20	DDGD	
CC1=C(C(=O)NC[C@]2(C)C[C@@H]2Br)C(=O)OC1(C)C	857400954	JXTVPSKDXDXAFM-SDBXPKJASA-N	316.195	1.928	50	20	DDGD	
C[C@@]1(CNC(=O)N2CCC(CN)CC2)C[C@H]1Br	857105929	VJCLKMZYGANJMI-PWSUYJOCSA-N	304.232	1.540	50	20	DDGD	
Cc1noc(C)c1NC(=O)NNC(=O)Cc1ccc(F)cc1	756286938	MLEHKUZAKZNACE-UHFFFAOYSA-N	306.297	1.826	50	20	DDGD	
CC(Cc1cccs1)=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	853387898	SVERPNDMANNTFO-OCCSQVGLSA-N	307.419	1.646	50	20	DDGD	
O=C(NNc1nc2ccc(Cl)cc2s1)[C@@]1(O)CCOC1	856236607	MEMVRZUCBRYIIS-GFCCVEGCSA-N	313.766	1.544	50	20	DDGD	
O=C(NN=C1CC(=O)N2CCCC[C@@H]12)c1cccc(Cl)n1	853410484	OVIHQYKIBAWHQO-NSHDSACASA-N	306.753	1.606	50	20	DDGD	
COC1(C(=O)NNc2ccccc2S(C)(=O)=O)CCCC1	754223792	LOIZJKHYZLRULF-UHFFFAOYSA-N	312.391	1.492	50	20	DDGD	
COCC1(CNC(=O)NNC(=O)c2cc(C)cs2)CCC1	858425034	BQMZYZIDKVANJL-UHFFFAOYSA-N	311.407	1.817	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cc2ccccn2c1)C1CC1	855100498	DADFFIUUQZWOHS-JTQLQIEISA-N	302.403	1.847	50	20	DDGD	
CSCc1ccc(NC(=O)C(=O)NNc2cnccn2)cc1	753940224	IPJVNIWRGFVILB-UHFFFAOYSA-N	317.374	1.421	50	20	DDGD	
CCOc1nc(C(=O)NNC(=O)c2ccc(CC)cc2)co1	753980839	CTCHYVJTWJECAN-UHFFFAOYSA-N	303.318	1.711	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)C1CC(F)(F)C1	754013348	BHONIIPKCWKLOH-UHFFFAOYSA-N	304.318	1.579	50	20	DDGD	
COC(=O)[C@H](NNC(=O)C1CCCC1)c1cccc(C#N)c1	751446942	SAJNFYARECYUJU-CQSZACIVSA-N	301.346	1.583	50	20	DDGD	
Cc1cc(C)c(C)c(OCCC(=O)NNC(=O)c2cc[nH]n2)c1	855358240	CNHKRNVHIGPOBA-UHFFFAOYSA-N	316.361	1.565	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C2(OC)CCOCC2)ccc1C	857266750	GNUAKDKWQXJEFC-UHFFFAOYSA-N	322.361	1.420	50	20	DDGD	
C[C@]1(CNC(=O)CCOC2CCOCC2)C[C@@H]1Br	857393956	NVZIAEZGZHAHGB-WCQYABFASA-N	320.227	1.862	50	20	DDGD	
C[C@]1(CCC(=O)NNc2ncnc3ccsc23)CCC(=O)N1	753427851	CGILYPKEAFCHAD-CQSZACIVSA-N	319.390	1.583	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1ccccc1-n1cccn1	755862780	ZLGHGBKKBJOOBH-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NN=C2CCN(C)C2=O)cc1	761764958	AWAHWLLCXGLUSL-LLVKDONJSA-N	319.361	1.187	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cnn3ncccc23)c1	765495177	UTPAHXBVOSMTOT-UHFFFAOYSA-N	311.301	1.273	50	20	DDGD	
Cc1cc(NNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)ncn1	763225268	SCBZAQMZHQSTTC-UHFFFAOYSA-N	312.289	1.931	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccc(Cl)cc1OC(F)F	762949974	ANRZYDAYERPNNG-UHFFFAOYSA-N	309.656	1.086	50	20	DDGD	
COc1nccnc1NNC(=O)C[C@H]1OC(=O)c2ccccc21	764461214	VIDIZBNPTOZTDI-LLVKDONJSA-N	314.301	1.230	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C(C)(C)Oc1ccc(OCC)cc1	768412513	GYZBKTWRVSUCFS-UHFFFAOYSA-N	323.393	1.935	50	20	DDGD	
CC(C)c1ccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1	860239524	NWQYQSFYJKNWLT-GFCCVEGCSA-N	304.350	1.241	50	20	DDGD	
CC(C)(C)[C@H](O)C(=O)NNC(=O)c1cccc2ncccc12	764997766	NNZZPMIBSKZDQZ-CYBMUJFWSA-N	301.346	1.403	50	20	DDGD	
CC(C)(C)OC(=O)C(C)(C)CCNCc1ccccc1B(O)O	863890547	YJZIGNMPQUDTEQ-UHFFFAOYSA-N	321.226	1.214	50	20	DDGD	
CCC[C@@H](CC1CCCCC1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1	862454673	IRJFQENMPJTXGI-KBPBESRZSA-N	323.437	1.799	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@H](CO)CC(F)F	760682128	CGBXUHZFHGNXFJ-XPUUQOCRSA-N	302.159	1.928	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1c[nH]cc1Cc1ccccc1	935290356	NALBPPHPOFLOAE-UHFFFAOYSA-N	300.362	1.912	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=C2CCCOc3cc(F)ccc32)N1	863147571	IZGYCXCXINBKAS-LBPRGKRZSA-N	305.309	1.097	50	20	DDGD	
CCOC(=O)[C@H]1CCC(=NNC(=O)c2cnccn2)[C@@H](C)C1	761252155	FNBGFVDNVZVULP-QWRGUYRKSA-N	304.350	1.562	50	20	DDGD	
CC[C@@H](C)n1nc(NC(=O)C(=O)NNC(=O)C(C)(C)C)cc1C	761072425	SQABBLLYDFWSDL-SECBINFHSA-N	323.397	1.295	50	20	DDGD	
N#CC1=CCN(C(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC1	767176482	DSBNXMQIDXIGGL-HNNXBMFYSA-N	323.352	1.188	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)Cc2cccnc2)c(Cl)c1	762172061	UQYYDDLWEUEHKW-UHFFFAOYSA-N	317.776	1.976	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H](CC)Cc1ccc([N+](=O)[O-])cc1	765411615	XMVPPVOZTGLPQV-GFCCVEGCSA-N	322.365	1.904	50	20	DDGD	
CN(C)C(=O)NN=Cc1cc(Br)cc2c1OCC2	764912504	WXWPQFFBFWMIAV-UHFFFAOYSA-N	312.167	1.989	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1CCC(CC(=O)OC)CC1	863072978	QOSQRALHCORODJ-UHFFFAOYSA-N	311.426	1.944	50	20	DDGD	
Cc1c(C(=O)NNC(=S)NC(C)C)cnn1-c1ccccn1	1115838021	UPNCXNPNQARHCW-UHFFFAOYSA-N	318.406	1.093	50	20	DDGD	
C[C@@H](OC[C@H]1CCCO1)C(=O)NNCC(F)(F)C(F)(F)F	863094927	YRUANSDTZNSACJ-HTQZYQBOSA-N	320.258	1.389	50	20	DDGD	
C#CCCCCC(=O)NNC(=O)c1cncn1-c1ccccc1	1116466780	IDIHNZOGNHRACP-UHFFFAOYSA-N	310.357	1.827	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CC2(O)CCCCC2)c1O	760138706	HZDCMVJMCVLDQA-UHFFFAOYSA-N	322.361	1.247	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNC(=O)c1ccccc1OC)C(C)C	874450243	UELLHTNDKOQDMG-ZDUSSCGKSA-N	322.361	1.292	50	20	DDGD	
CC[C@@H]1CC[C@@H](C)N1CC(=O)NNC(=O)c1cccc(C#N)c1	772357992	VFBALXMBIUOGMU-IUODEOHRSA-N	314.389	1.582	50	20	DDGD	
CCNc1ccccc1C=NNC(=O)[C@H]1CCS(=O)(=O)C1	872339548	PDWFHSDUBWVCFX-LBPRGKRZSA-N	309.391	1.003	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(F)c(F)c1	771899904	BXHJUYCIMBPFRK-SSDOTTSWSA-N	300.261	1.068	50	20	DDGD	
Cc1cc(C)nc(NC(=O)C(=O)NNc2ccnc(F)c2)c1	773664422	KJFGFLSUGLYRBH-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=S)NC(C)C	1116632532	BUHBGGOBELOGIV-NEPJUHHUSA-N	301.456	1.876	50	20	DDGD	
C=CCCC[C@H](C)NC(=O)NNC(=O)COc1ccccc1O	775780943	VGHKMCHYBHPLKE-LBPRGKRZSA-N	321.377	1.846	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc(C)nc2O)cc1	1115856732	FGMGXWMATLLYMC-UHFFFAOYSA-N	301.302	1.179	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)n1	875350356	MJCVSJDCCTUBKV-LLVKDONJSA-N	305.382	1.416	50	20	DDGD	
CCCNC(=O)NNC(=O)Cn1nc(C(F)F)cc1C1CC1	874214147	RWWJBAJUNKRCQN-UHFFFAOYSA-N	315.324	1.439	50	20	DDGD	
O=S(=O)(CCCCl)N1CCC[C@](O)(c2ccccc2)C1	882442794	SSSDMJXMHZULMN-CQSZACIVSA-N	317.838	1.929	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1cc[n+]([O-])cc1	774186901	HVNJHYXDBQIGFC-UHFFFAOYSA-N	307.741	1.644	50	20	DDGD	
COC(=O)[C@@H]1CCCC[C@]1(C)NS(=O)(=O)CCCCl	882019653	QBQPETARPZMNPB-JQWIXIFHSA-N	311.831	1.657	50	20	DDGD	
CCC[C@@H](NC(=O)NNC(=O)c1cccnn1)C1CCCC1	883688060	HKSKNYWEXGGDHD-GFCCVEGCSA-N	305.382	1.780	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CC2(O)CCCCC2)cc1O	882049682	ZMWAMHMDSFIOGO-UHFFFAOYSA-N	306.362	1.547	50	20	DDGD	
CC(C)(C)[C@H](O)C(=O)NNc1nnc(-c2ccccn2)s1	788556589	OQLAWWGNMAUTAY-SECBINFHSA-N	307.379	1.450	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncncc1Cl)C1=CCN(C)CC1	781017185	RMZXJBVBCNONRN-SECBINFHSA-N	310.789	1.407	50	20	DDGD	
NC(=O)CN(C[C@H](CBr)C1CC1)C1CCOCC1	880396039	WGAPDRKVOMHLBL-NSHDSACASA-N	319.243	1.374	50	20	DDGD	
CCCNC(=O)[C@H]1CCCN(S(=O)(=O)CCCCl)C1	881844684	QYJGVLBUCQRSEC-NSHDSACASA-N	310.847	1.183	50	20	DDGD	
O=S(=O)(CCCCl)N1CC[C@H]2[C@H](CCCN2C2CC2)C1	882005930	IJJFUGGUTFWQFF-OCCSQVGLSA-N	320.886	1.894	50	20	DDGD	
COC(=O)CCC(=O)COC(=O)/C(C#N)=C/c1ccc(C)cc1	782073056	ITQKNOSXTTWBLV-NTEUORMPSA-N	315.325	1.968	50	20	DDGD	
COc1cc(F)ccc1NC(=O)C(=O)NN(C)c1ccccc1	783433516	UGHXHPWGYNWWBP-UHFFFAOYSA-N	317.320	1.940	50	20	DDGD	
COc1cccc(SCC(=O)NNC(=O)C2CCOCC2)c1	894103495	KKCHSLZOPVJIMC-UHFFFAOYSA-N	324.402	1.361	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@](C)(O)Cc1ccccc1	899994847	BKQNYNYQNSULBT-OAHLLOKOSA-N	309.435	1.274	50	20	DDGD	
C[C@H](CN1CCOCC1)NC(=O)[C@@H](Br)C(C)(C)C	781075426	UCQSKHPDUVRMJM-GHMZBOCLSA-N	321.259	1.633	50	20	DDGD	
COC(=O)CCC(=O)COC(=O)[C@@H](Br)C(C)(C)C	784733083	LRHLSWIAUOYBET-SNVBAGLBSA-N	323.183	1.862	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=S)NC1(C)CC1	789162531	SUGWCRAANXEBER-UHFFFAOYSA-N	303.391	1.304	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1C[C@H](Oc2ccccc2)C1(C)C	788980637	KYSKZCIDEPHVBD-AWEZNQCLSA-N	317.389	1.861	50	20	DDGD	
CC(=NNC(=O)c1cccc(S(C)(=O)=O)c1)[C@H]1CCCO1	783828499	UILJLHFOOBNLJV-CYBMUJFWSA-N	310.375	1.375	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cnn(C2CCCC2)c1CC	789749798	PJQHNYIANJRCJE-UHFFFAOYSA-N	307.398	1.915	50	20	DDGD	
CC(C)(C)n1cc(NC(=O)C(=O)NNc2ccnc(F)c2)cn1	784849492	WTIWOTYTQHWKIR-UHFFFAOYSA-N	320.328	1.254	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cnc3[nH]cnc3c2)c1	780796025	XDXVMNLAVGOZNF-UHFFFAOYSA-N	311.301	1.501	50	20	DDGD	
COc1cccc(NCC(=O)NN=C(C)c2nccnc2C)c1	783508661	BQDQAGNHDHSRGR-UHFFFAOYSA-N	313.361	1.746	50	20	DDGD	
COCc1cc(C=NNC(=O)c2ccc3c(c2)OCCO3)no1	794886923	QNRBWTCTPZEMHO-UHFFFAOYSA-N	317.301	1.356	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)CCc1ccc(OC)cc1	795028688	XQXTUXVWXLYOAR-MLGOLLRUSA-N	322.405	1.836	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc(-c3nc[nH]n3)cc2)n1	794086771	XABHJTRXDBXKRY-UHFFFAOYSA-N	322.328	1.250	50	20	DDGD	
C=C(CBr)CN(CCC(=O)OC)C1CCOCC1	791468883	XEFUBWXOMGRYCS-UHFFFAOYSA-N	320.227	1.982	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1c(C)cnn1C	794868950	SRJVERWEOAWGSV-UHFFFAOYSA-N	302.334	1.266	50	20	DDGD	
CSSCCNS(=O)(=O)c1ccc(C#N)cc1F	790349533	RTBHIEOSQDBFJZ-UHFFFAOYSA-N	306.409	1.987	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)NCc2ccco2)on1	792985159	MNHZFJYYELBPSH-UHFFFAOYSA-N	306.278	1.278	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(C)c(C#N)c2)nc1	799713267	SSQBFRPQTWUCLR-UHFFFAOYSA-N	310.313	1.805	50	20	DDGD	
O=C(NNc1cccc(F)n1)Nc1ccc2c(c1)C(=O)NC2=O	796638712	IGSRKQZKXWIKDZ-UHFFFAOYSA-N	315.264	1.253	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1OC)[C@@H](C)O	790070265	NTFCLZXKVMSQMP-SCZZXKLOSA-N	314.769	1.517	50	20	DDGD	
C#CCC1(C(=O)NNC(=O)NCC(F)(F)F)CCCCC1	798314269	DTXSINHDGDCBTL-UHFFFAOYSA-N	305.300	1.853	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H](C)c1ccc2c(c1)OCO2	794200317	KKYRJPUISGRHSM-VIFPVBQESA-N	307.375	1.200	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccnc(OC2CCC2)c1	1319655142	CQKOPXOKBGXLKT-UHFFFAOYSA-N	308.407	1.530	50	20	DDGD	
Cc1nccc(C(=O)NNc2cncc(Br)c2)n1	1319527517	TWGBQJAOAMYFIC-UHFFFAOYSA-N	308.139	1.699	50	20	DDGD	
O=C(NNc1ncncc1F)c1c[nH]c(Br)c1	1327887465	HRIZQBKIBFFZBH-UHFFFAOYSA-N	300.091	1.463	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C2CCCC2)cnn1-c1ccncc1	1320310021	IZQVTNHCOGHONJ-UHFFFAOYSA-N	313.361	1.527	50	20	DDGD	
CC(C)n1cccc1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1324585482	YVDYLIMTNIASAR-UHFFFAOYSA-N	315.377	1.746	50	20	DDGD	
COc1nc(Cl)c(C=NNC(=O)Cn2nc(C)cc2C)n1C	1324202478	SSYBWBXIEDZUAH-UHFFFAOYSA-N	324.772	1.046	50	20	DDGD	
COC(=O)C(=O)NN=C1CCC[C@H]1Cc1ccccc1[N+](=O)[O-]	1320139547	GJJGBCZJKFMXJW-JTQLQIEISA-N	319.317	1.583	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cccnc1C(F)(F)F	1320676687	VDRZIJNWDGJNLS-UHFFFAOYSA-N	301.203	1.786	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1nccc(Cl)c1F	1320695518	BWQWELQBTMADAA-UHFFFAOYSA-N	306.688	1.674	50	20	DDGD	
CCCC[C@H](CC)CNC(=S)NNC(=O)C[N+](C)(C)C	1321414659	KSYWXMLZQOFQHR-LBPRGKRZSA-O	303.496	1.404	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccc2c(c1)C(C)(C)CO2	1330105012	PLNBGKKSGQNCMU-UHFFFAOYSA-N	307.419	1.874	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@H]2CCCCCN2)C[C@@H]1Br	1335611101	UPFIESCGGJQMMG-NTZNESFSSA-N	318.259	1.991	50	20	DDGD	
O=C(CCl)NC[C@H](O)COc1cccc(C(F)(F)F)c1	1253968745	SGVNAKGCUZZZDG-VIFPVBQESA-N	311.687	1.800	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CSCC(F)(F)F)cc1	1253755575	SJQYFDFPKXARTG-UHFFFAOYSA-N	322.308	1.752	50	20	DDGD	
Cn1nc(CNC(=O)NNC(=O)C2CCCC2)cc1C1CC1	1263068007	CBEYHHZAMNBJBA-UHFFFAOYSA-N	305.382	1.318	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21	1341279925	IGSUKSPIWOQMHD-RDEFGAFOSA-N	315.373	1.080	50	20	DDGD	
C[C@@]1(COC(=O)c2ccc(C(N)=O)nc2)C[C@H]1Br	1344036171	LQNAWTDYTHJQQQ-SKDRFNHKSA-N	313.151	1.511	50	20	DDGD	
O=C(NNc1ccc(F)cc1Cl)[C@@H]1OC[C@@H]2COCC[C@@H]21	1353811589	YHIBKZHMAZHVHL-GMOODISLSA-N	314.744	1.974	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@@H]1C[C@H]1c1ccncc1	1521301199	HTPJAJGGMFXNLJ-WDEREUQCSA-N	310.448	1.043	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)Cn1cccc(C(=O)O)c1=O	1600431543	WSTBKPCCLWARSG-UHFFFAOYSA-N	319.292	1.137	50	20	DDGD	
CC(=NNC(=O)NCC(=O)O)c1nc(C(F)(F)F)cs1	1609553298	YDZMOUOQLJMVSL-UHFFFAOYSA-N	310.257	1.270	50	20	DDGD	
O=C(/C=C\c1ccc(C(=O)O)o1)NNC(=O)NCc1ccco1	1605660204	SOYIAKDTDNVORE-XQRVVYSFSA-N	319.273	1.115	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNc1cccc(F)c1C(=O)O	1600668035	NCJSROXMYJULTI-UHFFFAOYSA-N	306.297	1.550	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc1C(=O)O	1607809758	CBYWDTIQZHWESJ-VHRBIJSZSA-N	304.346	1.951	50	20	DDGD	
CC[C@@H]1C[C@H](C(=O)NNc2ccc(CC(=O)O)cc2)CCO1	1605150691	DTYWTEBKFPAEID-TZMCWYRMSA-N	306.362	1.962	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)C(=O)Nc1ccc(F)nc1	1601559045	JVKSEMMVKDKPEC-UHFFFAOYSA-N	318.264	1.001	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)c(F)c1)c1cnc(C2CC2)nc1	1608481531	PAWKYBVMTUWZRY-UHFFFAOYSA-N	316.292	1.948	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@@H](O)c1ccccc1	1610806334	MDXOKOYOBQLBJV-ZDUSSCGKSA-N	304.277	1.701	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)O)C[C@@H]12	1589740725	DUESGIUPLWGHKC-YTWAJWBKSA-N	311.382	1.252	50	20	DDGD	
C#CC[C@@H](CCOC)NC(=O)NNc1ccc(CC(=O)O)cc1	1588393790	JTTARFPBFBKDRT-ZDUSSCGKSA-N	319.361	1.368	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)c1c[nH]nc1[C@H]1CCNC1	1580737886	ZUIOPDFAQMDFPV-QMMMGPOBSA-N	307.304	1.522	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1cnc(C)s1	1599376665	QOIZOTKKMADWKL-UHFFFAOYSA-N	307.331	1.915	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccn(CC(=O)O)n1	1594600890	HAZNPTDMTYHOKD-YRNVUSSQSA-N	314.276	1.652	50	20	DDGD	
C[C@H]1CCNC[C@@H]1NC(=O)NNc1ccc(C(=O)O)c(F)c1	1594438904	ISTAXJPONKBLAO-UFBFGSQYSA-N	310.329	1.148	50	20	DDGD	
Cc1cc(C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)co1	1591930002	JEJRWNHFCOQKNE-UHFFFAOYSA-N	317.309	1.636	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)cc1F	1598982823	GZSSYXBPXYUPPD-DTWKUNHWSA-N	324.308	1.556	50	20	DDGD	
CC(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2	1795072053	ZSFKMQPHXVVJSO-ILWJIGKKSA-N	323.220	1.036	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(Cl)cc1Cl	17083866	QDDLLNDABPIFHN-JTQLQIEISA-N	303.145	1.933	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1ccc([N+](=O)[O-])c(O)c1	17576720	NHTYNEJFFFWMTB-UHFFFAOYSA-N	317.257	1.081	50	20	DDGD	
O=C(NNc1ncccn1)N[C@H]1[C@@H]2CCO[C@@H]2C12CCCC2	162868994	NJBJEAVQSAOTQF-SRVKXCTJSA-N	303.366	1.450	50	20	DDGD	
O=C(NCc1ccc(F)cc1)C(=O)NNc1ccc(F)cc1F	158127887	HCFSNKRHWYOCLQ-UHFFFAOYSA-N	323.274	1.863	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1csc([C@H]2CCCO2)n1	160224848	XQQQJHUQBBOKMM-LLVKDONJSA-N	320.374	1.408	50	20	DDGD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NNc1cnc2ccccc2n1	163435814	LKFSFNHZNIINCI-RYUDHWBXSA-N	316.361	1.657	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1	153110609	CGPXJTBWKMXTOR-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
O=C(NNc1cccc(F)c1)[C@H]1CCCN1C1CCOCC1	154975622	HIYJXQXHFXDOOU-OAHLLOKOSA-N	307.369	1.912	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NC1CCC2(CC1)OCCO2	46076914	ZRXFKJOKZIEJFE-UHFFFAOYSA-N	315.370	1.411	50	20	DDGD	
CC(C)S(=O)(=O)CCN(C)NC(=O)OCc1ccccc1	859386875	GSXGFVJAXHKADJ-UHFFFAOYSA-N	314.407	1.583	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)CC1OCCCO1	862290143	OPXQDZXJWOQCOT-UHFFFAOYSA-N	308.334	1.439	50	20	DDGD	
O=C(CSc1nncs1)NNC(=O)c1ccccc1F	7194607	OKCJUYAYJIOVDL-UHFFFAOYSA-N	312.351	1.231	50	20	DDGD	
O=C(NCCc1ccccn1)NNC(=O)c1ccc(Cl)cc1	54036851	VGOTZDMYXOFJDZ-UHFFFAOYSA-N	318.764	1.922	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)Cc2cccnc2)cc1C	103426202	KWAZVHNGPKKPQI-UHFFFAOYSA-N	319.386	1.251	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCc2cccs2)cc1	57774497	YYVCKLDDHTYBKJ-UHFFFAOYSA-N	300.343	1.764	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCC(C)(C)C[C@@H](C)O)cc1	175560130	ICFHNUBFCFUPBO-GFCCVEGCSA-N	321.421	1.990	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)c2cccn2C)cc1F	55574803	XJYYDXHLEQSYOE-UHFFFAOYSA-N	311.338	1.096	50	20	DDGD	
CN(CC(=O)Nc1ccccc1Cl)S(=O)(=O)CCl	111000417	CGTKEZZWQWUYSH-UHFFFAOYSA-N	311.190	1.736	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CCc2ccco2)c1O	54144596	FTVSGSJNMUNPOA-UHFFFAOYSA-N	304.302	1.388	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C	28941748	RUGSTCRYGXZPRK-LFIBNONCSA-N	319.405	1.811	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCc2nc(C)c(C)s2)o1	177301657	ZLSRDYOODIIYPG-UHFFFAOYSA-N	308.363	1.806	50	20	DDGD	
O=C(NNC(=O)[C@@H]1SCCc2sccc21)c1ccc[nH]1	173119553	FXVZRWQYAZBKNJ-LLVKDONJSA-N	307.400	1.868	50	20	DDGD	
CCNC(=O)NNC(=O)c1c(C)nn(-c2ccccc2)c1C	65190747	XHPNUKSTAUTQDR-UHFFFAOYSA-N	301.350	1.453	50	20	DDGD	
Cc1noc(C(C)C)c1C(=O)NNC(=O)CNc1ccccc1	73558373	OIHFWXZDFKMADB-UHFFFAOYSA-N	316.361	1.980	50	20	DDGD	
Cc1nc(Cl)sc1C(=O)NNC(=O)Cc1cccnc1	177824133	FLPKAGWDGGEROK-UHFFFAOYSA-N	310.766	1.504	50	20	DDGD	
NC(=O)c1ccc(OCCC(=O)NNc2ccccn2)cc1	181252969	NTSRQTSQVRARTH-UHFFFAOYSA-N	300.318	1.093	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2ccc(Cl)cn2)n1	175820151	WYNVOPRVSRLWJX-UHFFFAOYSA-N	322.756	1.401	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccc(OCC2CC2)nc1	122860419	AQAOZCYRXBODDX-UHFFFAOYSA-N	303.297	1.556	50	20	DDGD	
CC(C)(C)n1ccnc1SCC(=O)NNc1ncccn1	124109431	OJVIRKGSWOUOOL-UHFFFAOYSA-N	306.395	1.664	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)[C@@H]1Cc2ccccc2O1	65177023	URPJCNRNCGCFCU-ZDUSSCGKSA-N	301.302	1.114	50	20	DDGD	
CCCc1cnc(NC(=O)NNC(=O)Cc2cccnc2)s1	184058872	IMZDRTNGWSPZEA-UHFFFAOYSA-N	319.390	1.886	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)nn1	123830769	OFLCSFCHRHGJIL-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
CC1(C)C[C@H](NC(=O)NNC(=O)c2ccccc2)C(C)(C)O1	180373416	POOMVQNWDQMCDZ-LBPRGKRZSA-N	305.378	1.977	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCO[C@@H]([C@@H]2CCCO2)C1	154652212	NDZSEBRDMRJWTO-NWDGAFQWSA-N	311.831	1.215	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Cc1cnn(-c2ccccc2)c1	73462463	OKZBKLKOELUYAN-UHFFFAOYSA-N	316.361	1.971	50	20	DDGD	
Cc1ccc(CC(=O)NNC(=O)CNc2ccccc2)cc1O	89434557	LWIYYIGFELPZOQ-UHFFFAOYSA-N	313.357	1.503	50	20	DDGD	
O=C(CN1CCCC1=O)NNc1ccc(C(F)(F)F)cn1	132028774	OJKLBRAJSJCORN-UHFFFAOYSA-N	302.256	1.166	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NNC(=O)C(C)(C)C	89267905	NZVRHPHARYYIFY-LLVKDONJSA-N	307.398	1.950	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCC(=O)N1CCCc2ccccc21	139245195	YYLLZGWEYJUHGS-SDNWHVSQSA-N	313.357	1.526	50	20	DDGD	
CC(C)n1nccc1NC(=O)NNc1cc(Cl)nc(N)n1	191415844	MAFBDTXKRHXHSS-UHFFFAOYSA-N	310.749	1.638	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccn(CC(F)F)n2)c(O)c1	192987653	BWPUHELHRJQAER-UHFFFAOYSA-N	324.287	1.237	50	20	DDGD	
O=C(NNc1ccncc1Cl)c1ccn(CC(F)F)n1	194495489	RITJUQFIITUWRZ-UHFFFAOYSA-N	301.684	1.954	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCCCCC2)c1c[nH]nn1	80214816	HOJOFHQKYJJYJQ-UHFFFAOYSA-N	319.390	1.600	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)c1cnc(S)[nH]1	193080612	DPEFAMNLOHAMMK-UHFFFAOYSA-N	315.358	1.114	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCCC(=O)N1CCCCC1	46233991	JWOJQHYTTDCYQG-UHFFFAOYSA-N	314.386	1.128	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C1CCOCC1	198144153	JRDVEHFCWYWNEM-JTQLQIEISA-N	310.325	1.167	50	20	DDGD	
O=C(NNc1cccnn1)C(=O)Nc1cccc2ccccc12	190360639	VLABOXDJXVZPJF-UHFFFAOYSA-N	307.313	1.712	50	20	DDGD	
CCCC1CCC(=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1	147286165	KSNWMDMLSAPVRF-GLGOKHISSA-N	315.439	1.819	50	20	DDGD	
CC(C)(CNC(=O)c1cccc(CCl)c1)S(C)(=O)=O	93524367	NNWPVIMFSDKMLK-UHFFFAOYSA-N	303.811	1.978	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc(C#N)cc2)C[C@@H](C)O1	245584102	JLIRCTUIUYVNOL-GNXNZQSNSA-N	316.361	1.458	50	20	DDGD	
CN(C)N(C(=O)/C=C\C1CCCCC1)[C@@H]1CCS(=O)(=O)C1	255571829	ZSZIKKQBQKBQLF-QIAWRQBBSA-N	314.451	1.615	50	20	DDGD	
CC(C)(C)C(=O)Nc1ccccc1C(=O)NNC(=O)C1CC1	264985093	JCENRZHMFKWICS-UHFFFAOYSA-N	303.362	1.842	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)CNc1ccc(OC)cc1	265918452	XVXKOKOYMIXULG-UHFFFAOYSA-N	318.333	1.119	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc(F)cc1Cl)C1CCC1	264774055	PPEKGDXIDICVTJ-UHFFFAOYSA-N	306.746	1.589	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](CO)C[C@H](O)c1ccccc1	271283570	ARXMJHBXYKLBTN-CYAURGIBSA-N	304.346	1.031	50	20	DDGD	
CC(C)c1cccc(NC(=O)C(=O)NNC(=O)C2CCC2)c1	274132046	VRMNTZOYOVZJJI-UHFFFAOYSA-N	303.362	1.696	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C(C)(C)O)ccc1OCC(C)C	276221647	IJQVGCUDDFMZSY-UHFFFAOYSA-N	324.377	1.262	50	20	DDGD	
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)/C(C#N)=C\c1ccc(O)cc1	278851230	AUHAXASSWOQWIZ-MWBWPMAVSA-N	311.385	1.898	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)[C@@H]1CCCN1C1CC1	278720662	OVTKYSRAWBNVRD-AWEZNQCLSA-N	317.389	1.099	50	20	DDGD	
CSC[C@@H](C)NC(=O)NNc1cccc(S(C)(=O)=O)c1	271886026	AFFAUHXNDKHGSH-SECBINFHSA-N	317.436	1.468	50	20	DDGD	
CCOc1cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)CC)c1	274029336	CFJXPYOJWNHEDN-JTQLQIEISA-N	307.350	1.217	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(-c2ccc(C)cc2)no1	271242586	AWSBNKCWBPMJCQ-UHFFFAOYSA-N	302.334	1.956	50	20	DDGD	
O=C(NN=c1nc(-c2ccccc2)[nH]o1)[C@H]1CCc2nccn2C1	364953960	MRFBXWOSVQHQJU-LBPRGKRZSA-N	324.344	1.061	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H](C)[C@@H]2CCCCO2)n1	272013657	QPDRQHRFUZEPPI-MNOVXSKESA-N	309.370	1.377	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1ncnn1-c1ccccc1	278535745	BRNBOHUNTKVOAC-UHFFFAOYSA-N	316.365	1.144	50	20	DDGD	
CO[C@H](C)C(=O)NNC(=O)Nc1ccc(Br)cc1	283676819	GXCMYLZTUGIQFO-SSDOTTSWSA-N	316.155	1.637	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C[C@@H]2CCC(=O)[C@@H]2C)c1	281172498	LGILVXQQRVPBCO-MNOVXSKESA-N	304.346	1.922	50	20	DDGD	
COCc1c(C(=O)NN(C)C(=O)OC)cnn1-c1ccccc1	286284469	IXAIDRMOZJDAOS-UHFFFAOYSA-N	318.333	1.362	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCSCc2ccccc2)cn1	280319923	GRKVIGSJJCVMDN-UHFFFAOYSA-N	318.402	1.505	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(F)c(N2CCOC2=O)c1	281059031	PIIJUZFLYTUGMZ-UHFFFAOYSA-N	312.257	1.175	50	20	DDGD	
CC1CCN([C@H](C)CNC(=O)NNc2cccc(F)n2)CC1	287036749	MFCRDQXZHTWIFE-GFCCVEGCSA-N	309.389	1.967	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2cn[nH]c2)c1	298640564	DIWWLDYBSNTZPN-UHFFFAOYSA-N	316.361	1.682	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNc1ccc2c(=O)[nH]ccc2c1	803434901	BIIMJEUTUMESFS-UHFFFAOYSA-N	311.345	1.554	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)NCc1cnnn1C	298684771	UUIKCHRDOKJHKD-UHFFFAOYSA-N	324.776	1.208	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@@H]1OC[C@H]2COCC[C@@H]21	290378942	BOEBOWNIICVSLQ-WCABBAIRSA-N	320.374	1.186	50	20	DDGD	
CCCCn1cc(C(=O)NNC(=O)N=c2cc[nH]cc2)c(C)n1	802033141	ZITHCWJVMGRNAT-UHFFFAOYSA-N	316.365	1.275	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1[nH]nnc1-c1ccccc1	801612271	HTMBYISHZIEHBM-UHFFFAOYSA-N	313.361	1.813	50	20	DDGD	
O=C(C[C@@H]1CCCC(=O)N1)NNc1cc(C(F)(F)F)ccn1	295358399	NTSWJPBLGGLKSY-VIFPVBQESA-N	316.283	1.602	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1	299211141	IXVPMISGADWUPE-LBPRGKRZSA-N	323.324	1.875	50	20	DDGD	
COc1cc(NNC(=O)c2ccoc2CC(N)=O)ccc1Cl	803262115	RWSYEMFKKIHKMT-UHFFFAOYSA-N	323.736	1.726	50	20	DDGD	
CCCCC[C@H](C(=O)NNC(=O)N1CCN(C)CC1)C(C)C	807380393	HNUXSBORHWMAEP-AWEZNQCLSA-N	312.458	1.827	50	20	DDGD	
Cc1ccc2c(CC(=O)NNC(=O)N=c3cc[nH]cc3)coc2c1	802028982	HOESAEAAVLMGCZ-UHFFFAOYSA-N	324.340	1.954	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)[C@@H]1CCCCO1)c1ccc(F)cc1	297244203	OAVQDCYZJWHFNT-RISCZKNCSA-N	323.368	1.829	50	20	DDGD	
C=CCOC(=O)/C(C#N)=C\c1ccc(F)c(S(N)(=O)=O)c1	806567902	MYEPAICONQXIEI-POHAHGRESA-N	310.306	1.109	50	20	DDGD	
Cc1cccc2c(CC(=O)NNC(=O)[C@@H]3CC[C@H](C)O3)c[nH]c12	294295968	QNFCUYDTYKPSFU-FZMZJTMJSA-N	315.373	1.734	50	20	DDGD	
O=C(NCc1ccc2c(c1)OCCO2)NNc1ncccc1F	804858965	LPSQTZRFSZLJDI-UHFFFAOYSA-N	318.308	1.818	50	20	DDGD	
COc1c(C(=O)NNc2cccc(F)n2)cccc1[N+](=O)[O-]	804772322	GAFPERQGDUMYLG-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
O=C(Cc1ccc2c[nH]nc2c1)NNc1ccc(Cl)nn1	806881291	AZLBMNKUKCVPCD-UHFFFAOYSA-N	302.725	1.692	50	20	DDGD	
COc1cccc(COCC(=O)NNc2ncccc2F)c1	804219402	XETVMKCRCAFITK-UHFFFAOYSA-N	305.309	1.889	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)[C@@H]2CCCCO2)c1	295816696	XLWFSWSMGTZDNB-AWEZNQCLSA-N	306.362	1.480	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc2c(O)nc(S)nc2c1	295694874	XAYGHJOJTSTHEY-UHFFFAOYSA-N	318.358	1.185	50	20	DDGD	
CCOC(=O)CC(C)(C)CC(=O)NNc1ncccc1[N+](=O)[O-]	807061623	VLYDSSUDPCLTME-UHFFFAOYSA-N	324.337	1.802	50	20	DDGD	
COC(=O)COc1ccc(C(=O)NNc2cccc(F)n2)cc1	804770810	SZMVHVPGDHVJRU-UHFFFAOYSA-N	319.292	1.529	50	20	DDGD	
Cc1ccc(C#N)cc1NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	292542826	GPRJBLJQPDAMEJ-GWCFXTLKSA-N	302.334	1.587	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	800332631	ADALCRRHTSCWNF-MISXGVKJSA-N	320.393	1.719	50	20	DDGD	
CCc1[nH]ccc1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	803774039	DFDILWDZVXXNNN-JTQLQIEISA-N	309.366	1.316	50	20	DDGD	
CCC[C@H](C(=O)NNc1nnc(C)c(O)n1)c1ccccn1	806364725	GMYFFKWHOQRSQC-JTQLQIEISA-N	302.338	1.308	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1nsc2ccccc12	819162181	RAXJJEDIOHEZFA-UHFFFAOYSA-N	306.391	1.969	50	20	DDGD	
COc1cnc(C(=O)NNc2ccc([N+](=O)[O-])cc2C)nc1	816663166	MMVMPRSAYNEJBP-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(-n2c(O)nnc2O)cc1	819788822	ZAAXGSXXDIOQPR-CMDGGOBGSA-N	315.289	1.061	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2cc(OC)no2)cc1C	812721046	JFDOBZPZGSOGAB-UHFFFAOYSA-N	319.317	1.925	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NN=Cc2cnnn2C)c1	814990783	DQGMAZFRFRRJTP-UHFFFAOYSA-N	308.729	1.633	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(-n2cccn2)c(C)c1	817561517	YAPPWTFRVXNYMO-UHFFFAOYSA-N	301.350	1.487	50	20	DDGD	
O=C(NNc1ncncc1F)c1cc(F)cc2nccnc12	817067652	OWAZIHYECTYFKW-UHFFFAOYSA-N	302.244	1.455	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](OC(C)C)c1ccccc1	815506262	RAKNDFZOUNIMFP-AWEZNQCLSA-N	316.361	1.645	50	20	DDGD	
COc1ccc(C(=O)CCC(=O)NNC(=O)CC2CC2)cc1F	819131383	CYLJGLHGURPEFM-UHFFFAOYSA-N	322.336	1.745	50	20	DDGD	
Cc1ncccc1C=NNC(=O)COc1ccccc1[N+](=O)[O-]	728779549	NYZLIVFUWWEOFL-UHFFFAOYSA-N	314.301	1.827	50	20	DDGD	
O=C(NC[C@H]1CN2CCC[C@@H]2CO1)NNc1ccc(F)cc1	729618661	KZJYKIHNOXVKQK-KGLIPLIRSA-N	308.357	1.315	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCC[C@@H]2[C@@H]2CCCO2)cn1	491007668	GHVPYSOICYACCK-RBBJQHAHSA-N	300.362	1.497	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CSc2cccc[n+]2[O-])c1	727415167	UDOVZMXTXDBUQP-UHFFFAOYSA-N	317.370	1.182	50	20	DDGD	
Cc1ccc(CCC=NNC(=O)CNC(=O)OC(C)(C)C)cn1	495552431	DZTRNLMMPKZSJF-UHFFFAOYSA-N	320.393	1.949	50	20	DDGD	
COCCN(C)NC(=O)[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C	497132406	NRBPPOGWGGPFFT-GHMZBOCLSA-N	303.403	1.145	50	20	DDGD	
CC(=NNC(=O)NCC1CC1)c1ccc(-c2nn[nH]n2)s1	823948746	VYRUFLPVWKJRAQ-UHFFFAOYSA-N	305.367	1.361	50	20	DDGD	
CN1CCC[C@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)C1=O	490881778	YYPPYHYBVWHDCO-UQTJOTSZSA-N	301.321	1.470	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(Cl)c2c(c1)OCCCO2	495763861	NYXBHQQLOFPMBJ-UHFFFAOYSA-N	314.725	1.844	50	20	DDGD	
Cc1cc(NC(=O)NNc2ccc(-c3nn[nH]n3)cc2)n(C)n1	826270115	LTWFAUFRQBSACE-UHFFFAOYSA-N	313.325	1.057	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H]2CCCO2)cc1F	726460996	RRAJZEIKLZAMAF-NSHDSACASA-N	313.354	1.331	50	20	DDGD	
CC1(C)[C@H]2CCCN(C(=O)c3ccc(B(O)O)c(F)c3)[C@H]1C2	585004279	BMYAPQRJEUAHIQ-FZMZJTMJSA-N	305.158	1.156	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NNc2cccnn2)cc(C#N)n1C	490879998	UBLTXXPVNFGTKM-SDQBBNPISA-N	307.317	1.045	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)c1cc(Br)c[nH]1	822234065	BKRHNSWSIAVNTK-SECBINFHSA-N	318.171	1.353	50	20	DDGD	
Cc1ccccc1[C@H]1CCCN1CC(=O)NNC(=O)C(C)C	827438406	OUSRHIHLIIENKF-OAHLLOKOSA-N	303.406	1.935	50	20	DDGD	
COCCN1CCC[C@H](NC(=O)[C@]2(C)C[C@@H]2Br)C1	906598065	TUYRSMPHHKGETC-GMXVVIOVSA-N	319.243	1.387	50	20	DDGD	
COC(=O)N(C)NC(=O)C[C@@H](c1nccn1C)C(F)(F)F	496387334	ZDGAEWKVNYKWSE-ZETCQYMHSA-N	308.260	1.186	50	20	DDGD	
CC1(C)CCC[C@@H]2CN(C(=O)c3ccc(B(O)O)cc3)CC[C@H]21	584995738	YKZVBRRKTAKRHF-GDBMZVCRSA-N	315.222	1.655	50	20	DDGD	
C=Cn1cc(C=NNC(=O)CCNC(=O)OC(C)(C)C)cn1	496946390	DFQWMJFLFAXIRF-UHFFFAOYSA-N	307.354	1.349	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(OC)c(OC)c1	822189835	UOLBAOIBQARVGT-NEPJUHHUSA-N	320.345	1.056	50	20	DDGD	
CC[C@@H](Cc1cccc(Br)c1)C(=O)NCB(O)O	585059348	KAYHNOCXXRWCCF-JTQLQIEISA-N	313.988	1.146	50	20	DDGD	
CCO[C@H](CCNC(=O)/C(C#N)=C/c1cnn(C)c1)C(C)C	491105378	QBTMMULYFGHQJX-UJMHRVFCSA-N	304.394	1.894	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)NNC(=O)O	736276617	OOLSRDIHHSMKMW-VIFPVBQESA-N	313.354	1.322	50	20	DDGD	
COc1ccsc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	826221715	RMBVRSZWTKRFOH-UHFFFAOYSA-N	316.346	1.694	50	20	DDGD	
COCCO[C@@H]1CCCN(C(=O)[C@@]2(C)C[C@H]2Br)C1	908036262	NYDZQOHVDUUBHM-WZRBSPASSA-N	320.227	1.814	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1cccnc1)c1cccc(Cl)c1	732257280	IUDILDLSGFIGAI-GFCCVEGCSA-N	305.721	1.230	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)n1C	908052816	FTILCLLMNOARMF-UHFFFAOYSA-N	316.365	1.261	50	20	DDGD	
Cc1cnc(Cl)c(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c1	905487376	ZWLCWDSKQUFQBQ-OLZOCXBDSA-N	322.796	1.357	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc2c(c1)COC2	831598642	BLFSPZVEQHASCI-NOZJJQNGSA-N	305.334	1.295	50	20	DDGD	
CC(C)c1ccc(NNC(=O)NC[C@H]2CN(C)CCN2C)cc1	838440564	XAOVJYPMYZRHQE-INIZCTEOSA-N	319.453	1.682	50	20	DDGD	
CC(C)c1n[nH]c(CNC(=O)[C@]2(C)C[C@H]2Br)n1	908550416	DSVQQCPUDBOPAR-RDDDGLTNSA-N	301.188	1.718	50	20	DDGD	
O=C(NNc1cnnc2ccccc12)c1cc2c(nc1O)CCC2	733811219	HQXOYKNSLSJMEQ-UHFFFAOYSA-N	321.340	1.976	50	20	DDGD	
COc1ccc([C@@H](C)NCc2ccc(B(O)O)o2)c(C)c1OC	585040227	CMSJMRNVDZFCSJ-LLVKDONJSA-N	319.166	1.136	50	20	DDGD	
CC(C)c1ccc(NNC(=O)NC[C@@H]2CC(C(N)=O)=NO2)cc1	838585837	QDPVQFWQKFCLSH-LBPRGKRZSA-N	319.365	1.066	50	20	DDGD	
CC1(C)C[C@@H]1CNC(=O)NNC(=O)COc1ccc(C#N)cc1	732894223	YUAGOXISHSDNRK-GFCCVEGCSA-N	316.361	1.314	50	20	DDGD	
C[C@@H](CNCc1ccc(B(O)O)cc1)COCc1ccccc1	585018896	WDUFEOFSLYSBNQ-HNNXBMFYSA-N	313.206	1.309	50	20	DDGD	
CN(CC(=O)NNc1ccc(F)c(F)c1F)C(=O)C1CC1	733360649	PUGHDZVLRZIVQL-UHFFFAOYSA-N	301.268	1.415	50	20	DDGD	
O=C(C[C@H]1CCOC1)NNC(=O)c1cc(-c2ccccc2)on1	739687389	FCLQUAZAXJZXGZ-LLVKDONJSA-N	315.329	1.529	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1	839483196	VKKZXXBWRQCJJJ-YUTCNCBUSA-N	315.373	1.170	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(Cl)nc(Cl)c1	833257337	VLAYCRXQDRAREH-MRVPVSSYSA-N	318.160	1.719	50	20	DDGD	
O=C(NCCOc1ccc([N+](=O)[O-])cc1)NNc1ccccn1	731686741	NLLGEUGOFZTYCL-UHFFFAOYSA-N	317.305	1.695	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)C1(C(=O)NC2CC2)CCC1	733362218	SHRFOZAFPKAECI-UHFFFAOYSA-N	309.316	1.857	50	20	DDGD	
C[C@@H](C1CCCCC1)N(C)C(=O)c1cc(B(O)O)ccc1F	584982187	MBKJVEQXUFGRHQ-NSHDSACASA-N	307.174	1.546	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc(CNC(=O)O)cc1	833421820	GCQYELCLCAMPDI-UHFFFAOYSA-N	308.338	1.653	50	20	DDGD	
CC[C@H](CSc1ccccc1)NCc1ccc(B(O)O)o1	585030192	OVXVYPFWXWSLRM-GFCCVEGCSA-N	305.208	1.620	50	20	DDGD	
Cn1nnnc1COC(=O)CCCC[C@@H]1CCSS1	733412223	OJJVPBWEMKJUHZ-SECBINFHSA-N	302.425	1.967	50	20	DDGD	
COc1ccc(C(=O)NN=C2C[C@@H](C)n3ccnc32)cc1OC	834921744	WKHUIGKNEYZLMV-SNVBAGLBSA-N	314.345	1.999	50	20	DDGD	
C[C@H](CCNCc1ccc(B(O)O)cc1F)c1ccccc1	585038804	HVNNBJYBCNKTBV-CYBMUJFWSA-N	301.170	1.789	50	20	DDGD	
CCS(=O)(=O)c1ccc(C(=O)NNc2cccnn2)cc1	736711145	WSXWEYXFOPSFEB-UHFFFAOYSA-N	306.347	1.027	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(C[C@H](C)O)c1ccccc1	731849648	BWEFBJQXHHQXHT-UONOGXRCSA-N	321.421	1.456	50	20	DDGD	
CC[C@H]1C[C@H](Cc2nc(-c3cccc(B(O)O)c3)no2)CCO1	585053206	IGGRSGQTPOPHGD-RISCZKNCSA-N	316.166	1.164	50	20	DDGD	
Cc1nc2scc(C3CC3)n2c1C=NNC(=O)NCC(=O)O	833756325	JFYGLTJFXTZEOM-UHFFFAOYSA-N	321.362	1.299	50	20	DDGD	
COc1ccc([C@@H](O)CNC(=O)NNC(=O)C2CCCC2)cc1	916613664	WAWQXEJFTYITEP-AWEZNQCLSA-N	321.377	1.249	50	20	DDGD	
COc1nccc(C=NNC(=O)c2cc3c(s2)CCC3)n1	834925527	BBQARORBTMDXID-UHFFFAOYSA-N	302.359	1.799	50	20	DDGD	
C[C@H](CCCc1cccnc1)NC(=O)NNc1cccnn1	838749549	RFIIPMPOTXYSPJ-GFCCVEGCSA-N	300.366	1.909	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2nn[nH]n2)c1C	731887347	JXBDQEKLKLNOMA-NTUHNPAUSA-N	313.365	1.251	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)C(=O)NC2CC2)C1	912579819	ICAOSRIPYDPYCJ-LBPRGKRZSA-N	312.486	1.888	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)Cc2nc(C)cs2)o1	915957003	KERHJRITJWZLOS-UHFFFAOYSA-N	307.331	1.524	50	20	DDGD	
Cn1c(CC(=O)NN=Cc2cccc(O)c2)nc2ccccc21	916313859	YYQSCIBZDFUWHP-UHFFFAOYSA-N	308.341	1.972	50	20	DDGD	
Cc1nn(CC(=O)NNc2ncc(F)cc2F)c(C)c1Cl	837206230	JZIHTWOHUZSXKX-UHFFFAOYSA-N	315.711	1.970	50	20	DDGD	
CCC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccsc1	834944585	UDOBIHKAWKEINY-SNVBAGLBSA-N	315.420	1.349	50	20	DDGD	
N#CSCCCNS(=O)(=O)c1ccc(F)c(F)c1F	916965150	QSSLUOBSPBCNQM-UHFFFAOYSA-N	310.322	1.987	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1	910164307	UEUONOBXYMVGOV-LLVKDONJSA-N	301.346	1.203	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21	910476318	JUDCIKFKESZEIN-PPKCKEKNSA-N	308.769	1.922	50	20	DDGD	
CO[C@](C)(C1CC1)[C@H](C)NC(=O)NNC(=O)c1ccccc1	840416855	NUSPIYBPKYTITO-ZBEGNZNMSA-N	305.378	1.834	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@]1(C)CCc2ccccc2C1	843652588	KCCKMJZVJRZSLH-WBHUJUFNSA-N	316.401	1.754	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CCCNCC2)c1F	841979752	VWBNOWOSWPMZCR-SNVBAGLBSA-N	324.356	1.381	50	20	DDGD	
COc1ccc(CCC(C)=NNC(=O)C(=O)NC2CC2)cc1	744823752	DKSOXGCARLYISW-UHFFFAOYSA-N	303.362	1.399	50	20	DDGD	
C[C@@H](CN)NC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	841981903	GXHGJRJBTBCWAK-HXTFMFRQSA-N	308.426	1.271	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H]1CCO[C@H]1c1ccncc1	846259809	AQLPYNQXPLREQA-NEPJUHHUSA-N	315.333	1.101	50	20	DDGD	
COc1cc(C=NNC(=O)Cn2nc(C)cc2C)cc(O)c1O	916343245	SNHRYODPMXLMKD-UHFFFAOYSA-N	318.333	1.070	50	20	DDGD	
Cc1cnn(CC(=O)NNc2ccc(Br)nc2)c1	740926160	DQLROVUEEOPIMC-UHFFFAOYSA-N	310.155	1.492	50	20	DDGD	
CNC(=O)c1cccc(C(=O)NNc2cnnc3ccccc23)c1	743410368	LKCYCQSJUBDHQA-UHFFFAOYSA-N	321.340	1.746	50	20	DDGD	
Cc1cccc([C@@H](C)CNC(=O)NNC(=O)c2ncccn2)c1	841581922	PYJIJJCUVLKPTH-LBPRGKRZSA-N	313.361	1.533	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H](C)CCCCN)c1	841997438	WSPRAYUCNHPOGQ-NSHDSACASA-N	308.382	1.617	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NC2CCSCC2)cc1	844939836	LMMTXRZODOGBAU-UHFFFAOYSA-N	323.418	1.924	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=Cc2ccc(O)c(O)c2)c1	916314548	JHZADDSLKCHIEM-UHFFFAOYSA-N	316.313	1.879	50	20	DDGD	
COc1ccc2c(c1)[C@@H](C(=O)NNC(=O)NCC1CC1)CCC2	847390151	CDITZHPRPLISPD-AWEZNQCLSA-N	317.389	1.856	50	20	DDGD	
COC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)C1CCCC1	746782946	ZRFAOUJVGIDGGM-OAHLLOKOSA-N	319.405	1.765	50	20	DDGD	
COCc1ccccc1CNC(=O)NNC(=O)C1CCCC1	916425678	RMGSGDGDKSLZBD-UHFFFAOYSA-N	305.378	1.854	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(C(C)C)n1	843663672	ZEQVLIVRXJPGIB-VXGBXAGGSA-N	305.378	1.699	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NN(C)C[C@@H](C)O	910145131	QDEMOPYIXIRZAG-VXGBXAGGSA-N	317.430	1.366	50	20	DDGD	
CO[C@H](C=NNC(=O)COc1ccccc1C#N)[C@H]1CCOC1	841608342	CAJBOKYLVSNJLW-DZGCQCFKSA-N	317.345	1.091	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)C(C)(C)c1ccc(F)cc1	843650086	ZNBCALRUFNZMAX-ZWNOBZJWSA-N	308.353	1.676	50	20	DDGD	
CC(C)c1cc(C(=O)NNc2ccnc(N(C)C)n2)nn1C	746692083	NZNOJOKJBSKSOV-UHFFFAOYSA-N	303.370	1.156	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCC(=O)N[C@@H](C)c1ccccc1	910002345	TWKHBXWQILCNAN-NSHDSACASA-N	322.434	1.111	50	20	DDGD	
CC(C)CC[C@@H]1CCCN1C(=O)NNC(=O)c1ncccn1	841592895	ZJTFZPLMFKOALG-LBPRGKRZSA-N	305.382	1.732	50	20	DDGD	
O=C(NNC(=S)N[C@@H]1CCOc2ccccc21)C1CCC1	741492961	UOUHVKDGTUHXCM-GFCCVEGCSA-N	305.403	1.806	50	20	DDGD	
CCC(CC)(CO)C(=O)NNc1cccc(S(C)(=O)=O)c1	847668317	UNKTXNHDVINWJR-UHFFFAOYSA-N	314.407	1.332	50	20	DDGD	
Cc1cc2c(cc1C)[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)CO2	843654056	FEGCLJAPHOYSSD-YRGRVCCFSA-N	318.373	1.352	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)oc2c1C(=O)CCC2	843646803	RFPCWXCTUAQESV-ZJUUUORDSA-N	320.345	1.293	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1csc([N+](=O)[O-])c1	748253637	POGVLMQQYXVHDJ-MRVPVSSYSA-N	301.324	1.158	50	20	DDGD	
COc1cc(C)c(C=NNC(=O)[C@H]2CCO[C@H]2C)cc1OC	842556440	SRAGLFQULZDXHB-AAEUAGOBSA-N	306.362	1.887	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843980972	YYPMVSXSFNWJSU-FXAINCCUSA-N	308.382	1.093	50	20	DDGD	
C[C@]1(CNC(=O)C[C@H]2CSCCN2)C[C@@H]1Br	857007435	LMDUMKMDMDCCGX-ATZCPNFKSA-N	307.257	1.371	50	20	DDGD	
COC(=O)c1ccc(F)c(NC(=O)NNC(=O)c2ccc[nH]2)c1	755847571	JZWTZUKROZJILA-UHFFFAOYSA-N	320.280	1.407	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2ccn(C)c2)c1C	853819480	SGDYTKQTIJSKTC-UHFFFAOYSA-N	316.361	1.946	50	20	DDGD	
C[C@]1(CNC(=O)N2C[C@@H]3[C@@H](CO)[C@@H]3C2)C[C@@H]1Br	856957235	BLLHWTMACRAEDR-TYCYOEEFSA-N	303.200	1.040	50	20	DDGD	
O=C(NCc1ccc2occc2c1)NNC(=O)[C@@H]1CCCCO1	852490678	SICWOCPOQNAEQQ-AWEZNQCLSA-N	317.345	1.832	50	20	DDGD	
CC[C@@H]1COCC1=NNC(=O)CCCNC(=O)OC(C)(C)C	853326387	YHJGBFIVFOABSF-LLVKDONJSA-N	313.398	1.820	50	20	DDGD	
CCOc1cccc(CCC(=O)NNC(=O)c2c[nH]nc2C)c1	859266311	HYVPZRLPILNOJS-UHFFFAOYSA-N	316.361	1.511	50	20	DDGD	
C[C@H](NC(=O)NNc1cc(F)cc(Cl)c1)c1ncn(C)n1	854012293	MCDPNCOXYYKQPV-ZETCQYMHSA-N	312.736	1.995	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCC[C@H](CC#N)C2)cc1	852319098	GWTQBPGPIKVCJB-CQSZACIVSA-N	314.389	1.382	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)OCC(F)(F)F)c1ccccc1	856023472	KVUZZZMLNSRKOS-GFCCVEGCSA-N	320.267	1.868	50	20	DDGD	
COC(=O)NCCNC(=O)NNc1ccc(Cl)cc1C	922777187	YUESPJVESANVIS-UHFFFAOYSA-N	300.746	1.631	50	20	DDGD	
C[C@H](CBr)CN1CC[C@H](CN2CCCC2=O)C1	852680219	OOGIBYWAFJSBLS-NEPJUHHUSA-N	303.244	1.962	50	20	DDGD	
CCc1noc(CCCC(=O)NN=c2cc[nH]cc2Cl)n1	757421519	FGRRNWSWACRCFH-UHFFFAOYSA-N	309.757	1.568	50	20	DDGD	
CC(Cc1cccc(F)c1)=NNC(=O)Cc1cc(O)nc(O)n1	759195231	CMPPNQINZRTTRE-UHFFFAOYSA-N	318.308	1.304	50	20	DDGD	
O=C(NCCO[C@@H]1CCOC1)NNc1ncnc2ccsc12	927517144	KWRWYRRUHAKPAW-SECBINFHSA-N	323.378	1.123	50	20	DDGD	
CC[C@H]1COCC1=NNC(=O)Cn1c(C)nc2ccccc21	853268719	KARNWCDOQIXILJ-LBPRGKRZSA-N	300.362	1.873	50	20	DDGD	
CSC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	854260091	UKONXVUUVXNNON-UHFFFAOYSA-N	323.418	1.531	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)c(C)nn1	758998769	XAVOBAMRZJPQNY-UHFFFAOYSA-N	316.336	1.490	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)CCOc1ccccc1)C1CC1	852029926	VHESBFWCKCMKDI-CQSZACIVSA-N	305.378	1.975	50	20	DDGD	
COC[C@H](NC(=O)NNc1cccc(C(=O)OC)c1C)C1CC1	853887141	RGWACEUOXASNEV-AWEZNQCLSA-N	321.377	1.833	50	20	DDGD	
Nc1c(Cl)cc(C(=O)NNC(=O)NC2CC2)cc1Cl	858779305	MFYIHBWTECGHAN-UHFFFAOYSA-N	303.149	1.682	50	20	DDGD	
NC1(CNC(=O)NNC(=O)c2cc3ccccc3o2)CCCC1	851671957	XAFDYAOAULKXHI-UHFFFAOYSA-N	316.361	1.648	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cnc3ccccc3n2)nc1	759737975	JEDFWUIOJZHLQE-UHFFFAOYSA-N	323.312	1.568	50	20	DDGD	
CCn1cc(C(=O)C(=O)NNc2cccc([N+](=O)[O-])c2C)cn1	759661362	STUYUBGIKOKBNB-UHFFFAOYSA-N	317.305	1.446	50	20	DDGD	
CC(C)[C@H]1C[C@@H](C(=O)NNc2nc3ccccn3n2)CCO1	935620311	GJPJJHUFIZULLH-NWDGAFQWSA-N	303.366	1.624	50	20	DDGD	
CCCn1nc(C(=O)NN=C(C)COC)c2ccccc2c1=O	750922904	POBPYCOOZWSKDW-UHFFFAOYSA-N	316.361	1.559	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1cc(F)c(F)c(F)c1	756708676	GETPXOCBSWCANT-UHFFFAOYSA-N	310.235	1.965	50	20	DDGD	
O=C(NNC(=O)c1ccccn1)Nc1cnn(-c2ccccc2)n1	757831910	NWEKLURYNYRONT-UHFFFAOYSA-N	323.316	1.129	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2c(C=O)c[nH]c2c1	862094334	KRTYUYZRVAKGGC-CABZTGNLSA-N	315.329	1.166	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)C[C@H]2COC(=O)C2)c1	765385236	KJTUWQLTJWPVPA-SNVBAGLBSA-N	307.375	1.266	50	20	DDGD	
CC(C)Oc1ccc(NC(=O)C(=O)NNc2cnccn2)cc1	766259837	BYYYHKOABNCGRN-UHFFFAOYSA-N	315.333	1.346	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cnn(C2CCC2)c1	934305266	HYTGKCHLADTWAJ-BXKDBHETSA-N	307.354	1.186	50	20	DDGD	
CC1CCN(C[C@H](C)C(=O)NN=C2CCS(=O)CC2)CC1	761804527	PRMDFMXZQPTWOJ-JRTLGTJJSA-N	313.467	1.369	50	20	DDGD	
O=C(CN[C@H](c1ccncc1)C1CC1)NNC(=O)c1ccccc1	934691996	JEVVIVCLNHLULI-KRWDZBQOSA-N	324.384	1.584	50	20	DDGD	
COC[C@@H]1CCCN1NC(=O)c1c(C)nn(CCCl)c1C	862599086	CXTBUKFBVIVSDY-LBPRGKRZSA-N	314.817	1.494	50	20	DDGD	
COc1ccc(OC)c(S(=O)(=O)NCC(Cl)Cl)c1	867471034	AKXCJEHNNQSYJC-UHFFFAOYSA-N	314.190	1.786	50	20	DDGD	
O=S(=O)(CBr)Oc1cccc(-n2cncn2)c1	769934321	RSCSBGVNSQIWBD-UHFFFAOYSA-N	318.152	1.328	50	20	DDGD	
CC(C)(C)O[C@@H](C(=O)NNC(=O)c1cn[nH]c1)c1ccccc1	862472940	XVZYFXNTVJOWBU-CYBMUJFWSA-N	316.361	1.727	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)c1cncc(N2CCCC2)n1	869286968	OMNZXXDLTJIHQM-UHFFFAOYSA-N	318.768	1.882	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12	761145576	WPIVGLKRPGFECR-UHFFFAOYSA-N	305.294	1.382	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)OCC(=O)[C@@H]1CCOC1	766750975	KAVKXLUDIHPWQM-PSASIEDQSA-N	307.184	1.945	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CO[C@@H]2CCC[C@H](C)C2)n[nH]1	869012293	MBGKTZUVSIORIJ-GXFFZTMASA-N	308.382	1.003	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@H](CCO)C(F)(F)F	1119434879	IRRNHWLJKYAJQL-SSDOTTSWSA-N	311.753	1.484	50	20	DDGD	
C=CCc1cc(C=NNC(=O)c2cc(C)[nH]n2)cc(OC)c1O	764794541	AEQVMYOUZVZABD-UHFFFAOYSA-N	314.345	1.925	50	20	DDGD	
C[C@H]1CCC[C@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)C1	1116120202	CMOGZVKCEZSULQ-QWRGUYRKSA-N	304.394	1.876	50	20	DDGD	
COc1cc(OC)c2c(=O)c(C(=O)NN(C)C3CC3)c[nH]c2c1	862038231	ZBXKDBBOOYNJNL-UHFFFAOYSA-N	317.345	1.284	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@@H](O)CCc2ccccc2)cc1	764931925	YQIQXKFWFZONEF-INIZCTEOSA-N	323.352	1.313	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2CC23CCC3)c(OC)c1	872881208	LXTWZKHZFVHFQB-CYBMUJFWSA-N	319.361	1.590	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@@H](C)N(C)C)cc2C1	873810624	WCMPILBQOPAFSC-NXEZZACHSA-N	309.435	1.584	50	20	DDGD	
CC1(C)C[C@@H]1CNC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1118812448	GTRMYYAFVUINPW-JRKPZEMJSA-N	317.227	1.438	50	20	DDGD	
COCCN(C)NC(=O)Nc1cccc(N2CCNC2=O)c1C	879400874	GDHXPIVQGFOBHX-UHFFFAOYSA-N	321.381	1.139	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCc1nc(C(C)(C)C)cs1	875242754	PCPMNZFZDPMLJB-UHFFFAOYSA-N	314.411	1.896	50	20	DDGD	
COCc1ccc(C(=O)NNc2ccnc(N(C)C)n2)cc1F	878919136	BMGQVFXTKDADKN-UHFFFAOYSA-N	319.340	1.585	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@](C)(NC(C)=O)C(C)C)cc1	1119668085	RGRIPFUMOHJLNG-INIZCTEOSA-N	321.377	1.007	50	20	DDGD	
COC(=O)CCCC(=O)NNC(=S)Nc1cc(C)ccc1C	873755375	JKLNKRIWWTVGPD-UHFFFAOYSA-N	323.418	1.964	50	20	DDGD	
CC(CCn1cccn1)=NNC(=O)C(=O)Nc1ccc(C)cc1	776764030	VWNLLFWYBAFETM-UHFFFAOYSA-N	313.361	1.712	50	20	DDGD	
CC(=NNC(=O)CO)c1ccc(Br)cc1Cl	776777243	MRYLATAPANNNOE-UHFFFAOYSA-N	305.559	1.935	50	20	DDGD	
COC(=O)N(C)NC(=O)NCC1(c2ccccc2)CCOCC1	875101434	ANPOCQXIKDJGCA-UHFFFAOYSA-N	321.377	1.647	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2cccc(S(C)(=O)=O)c2)CCC1=O	776526856	ABWIFRMYYUKHMC-GHMZBOCLSA-N	324.402	1.539	50	20	DDGD	
N#Cc1ccc(NNC(=O)Nc2ccc(F)c(C(N)=O)c2)cc1	775489065	MICKUZAJZVUODG-UHFFFAOYSA-N	313.292	1.945	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1coc(C2CC2)n1	776803260	UYJRZLXJWNLKDW-UHFFFAOYSA-N	315.329	1.564	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H](C)C[C@@H]2CCOC2)cc1	1116268274	NVAKYXHRVSHMQA-NEPJUHHUSA-N	321.377	1.454	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H](C(C)C)N1CCC(C)CC1	875068355	DMPXMBODHCTTPA-CYBMUJFWSA-N	314.430	1.655	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@@H]2CCN(C(C)(C)C)C2=O)n1	875686055	NRSCGKKPFCVRJX-LLVKDONJSA-N	305.382	1.416	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)Cc1ccsc1	771888081	CUSKQIVPZJRHAR-JTQLQIEISA-N	312.391	1.416	50	20	DDGD	
CC(C)c1nccn1CC(=O)NNC(=O)c1ccc(C#N)cc1	779771533	JTCALOPUWMFRSD-UHFFFAOYSA-N	311.345	1.339	50	20	DDGD	
O=C(CO)NN=Cc1cccc(OCc2ccc(F)cc2)c1	776778568	XVNIGYPVHLWRMU-UHFFFAOYSA-N	302.305	1.847	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1F	778540204	LYBICCNADRHGHS-JTQLQIEISA-N	312.366	1.491	50	20	DDGD	
CC(=NNC(=O)C(=O)Nc1ccccn1)c1ccc(Cl)cn1	774387906	KQQORBZTNINWLR-UHFFFAOYSA-N	317.736	1.609	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CC(C)(C)c1ccccc1	772053848	LLWGUCHYAWFGOS-LBPRGKRZSA-N	320.389	1.843	50	20	DDGD	
C[C@H](CC(=O)O)NC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	776632604	WZKNKZJDLHGZEL-JXVAYASWSA-N	304.184	1.920	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](C)c1ccc2c(c1)OCO2	887149316	QZJNPOSLEHRYFJ-NSHDSACASA-N	302.330	1.470	50	20	DDGD	
O=C(NNc1ccnc(F)c1)C(=O)Nc1scnc1C1CC1	784848692	MBLLUJCOYLVJGI-UHFFFAOYSA-N	321.337	1.636	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OC[C@H]1CCS(=O)(=O)C1	788947828	AEOMAZIAQZGXQR-BFTHVDOESA-N	321.354	1.277	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1C[C@H]2CC[C@H]1[C@@H](O)C2	884016984	JMWCIEXHIJVURL-UBHSHLNASA-N	303.362	1.195	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1n[nH]c2c1CCCCC2	789901449	NZCGECYUOZOSPE-UHFFFAOYSA-N	304.272	1.392	50	20	DDGD	
Cc1ccc(-c2cn(CC(=O)NNC(=O)C(C)C)nn2)cc1	881299456	KTXWSCIAUMKVRC-UHFFFAOYSA-N	301.350	1.057	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cc(C)nc(Cl)c1	788716618	DFBHRQMMQDYYQV-UHFFFAOYSA-N	310.785	1.798	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CCc1cccnc1Cl	899999761	WBSWXRHGEPMMQZ-UHFFFAOYSA-N	314.842	1.961	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)C(=O)Nc1c(C)noc1C	783448091	YFKNBSXCGIHMBG-UHFFFAOYSA-N	306.297	1.821	50	20	DDGD	
CN(C)C1(CNS(=O)(=O)CCCCCl)CCOCC1	780774703	CVCYBFDHVMJEFW-UHFFFAOYSA-N	312.863	1.036	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)NC/C=C/Cl)c1	899058119	UEJRDKMVGBZRJU-ONEGZZNKSA-N	311.769	1.765	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)c2cnsn2)c1	788253910	LTKJYUBPSAZQGN-UHFFFAOYSA-N	306.351	1.389	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@H](N2CCCC2)C[C@@H]1C	796431918	YTQLNVDBLVIJJB-SOUVJXGZSA-N	324.469	1.127	50	20	DDGD	
CO[C@@]1(C(=O)NNc2cccc(F)c2[N+](=O)[O-])CCSC1	897609880	IKRSXPMIYXTTOI-LBPRGKRZSA-N	315.326	1.699	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCC=CO2)c2ccccc2n1	799006510	DSVXLGRJRHRRDJ-HNNXBMFYSA-N	311.341	1.997	50	20	DDGD	
CC(C)n1ccc(NC(=O)C(=O)NNc2ncccc2Cl)n1	796988240	BHRZDHAKHYAUSR-UHFFFAOYSA-N	322.756	1.594	50	20	DDGD	
C=CCC(C)(C)C(=O)OCC(=O)NNC(=O)c1cccs1	796474454	QYDGCTUXVHPEKF-UHFFFAOYSA-N	310.375	1.655	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Cc2cc(F)c(F)cc2F)n1	794087577	QIGVDQCNYRPLDI-UHFFFAOYSA-N	323.274	1.811	50	20	DDGD	
CN(C)Cc1cccc(C(=O)NNC(=O)NCC(F)(F)F)c1	798315001	KKIXGQPKAHMJBD-UHFFFAOYSA-N	318.299	1.255	50	20	DDGD	
Cc1nc(N(C)C)sc1C(=O)NNC(=O)NC1CCCC1	1319899185	CSMJXOBWERQDGQ-UHFFFAOYSA-N	311.411	1.404	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CC[C@@H](n3cccn3)C2)c1	1328732255	YLOHZACQQIOPDP-LLVKDONJSA-N	319.390	1.554	50	20	DDGD	
C[C@H](C(=O)NNC(=O)NCc1ccc(Cl)cc1)n1ccnc1	1324417878	VXPSHAGSDUCQFK-SNVBAGLBSA-N	321.768	1.628	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1c[nH]cc(Cl)c1=O	1325232705	FGNSYFZIXHZYBO-UHFFFAOYSA-N	323.711	1.171	50	20	DDGD	
COCC[C@@H](C)CNC(=O)NNc1nncc(N)c1Cl	1327358773	DWCAEDDLMVSVSS-SSDOTTSWSA-N	302.766	1.011	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@H]1CCC[C@H]1OC	1338996407	QQOGSPMJZQFMRC-JOYOIKCWSA-N	310.325	1.871	50	20	DDGD	
O=C(Cc1ccc(Cl)c(Cl)c1)N1CC[C@@H](B(O)O)C1	585071048	LMSAOHNACHDZKO-SECBINFHSA-N	301.966	1.611	50	20	DDGD	
COc1cc(CNS(=O)(=O)CBr)ccc1O	782456794	OAMQFJGPOBSXQZ-UHFFFAOYSA-N	310.169	1.173	50	20	DDGD	
CCN(CC)CC[C@@H](C)NC(=O)/C(C#N)=C\c1cnn(C)c1	1347660317	LOSRQWOVTNYVRL-MLJKTZRHSA-N	303.410	1.564	50	20	DDGD	
CC(C)C[C@H]1CN(C)CCN1C(=O)NNC(=O)c1ccccc1	1353125449	DXNXUGLXEVNZCE-HNNXBMFYSA-N	318.421	1.703	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCC(=O)NC1(C(=O)O)CCCCC1	1608170380	YGARZFPAQZNTKL-XYOKQWHBSA-N	320.345	1.293	50	20	DDGD	
O=C(NNC(=O)c1ccc(C(=O)O)s1)OCC(F)(F)F	1608479164	PZXZDELSKZPROB-UHFFFAOYSA-N	312.225	1.380	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1nnc(CCCC(=O)O)s1	1605618281	IELYGEVLTNGVKX-FPLPWBNLSA-N	310.335	1.328	50	20	DDGD	
CN(CC(=O)NNc1ccc(CC(=O)O)cc1)[C@H]1CCSC1	1606081400	MHUNFAJFZHFICP-ZDUSSCGKSA-N	323.418	1.194	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)Nc2ccc(CO)cc2)cc1	1602127934	GGMJCGNYTRZOOE-UHFFFAOYSA-N	315.329	1.955	50	20	DDGD	
NC(=O)c1ccc(NC(=O)NNc2cccc(C(=O)O)c2)cc1	1601166520	NPCUJNURRJLZRQ-UHFFFAOYSA-N	314.301	1.632	50	20	DDGD	
CCC[C@H](OC)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1609206335	UVQWURYHMUPXGL-QMMMGPOBSA-N	323.357	1.236	50	20	DDGD	
C=CCC1(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)CCCC1	1602817183	CTKMUPPCNSNMPR-UHFFFAOYSA-N	313.365	1.841	50	20	DDGD	
O=C(NNC(=O)C(=O)O)N[C@@H](c1ccccc1)C1CCCCC1	1610699270	PRBAESOLWUYRSH-ZDUSSCGKSA-N	319.361	1.723	50	20	DDGD	
COC1CCC(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)CC1	1549685218	OLQIOWIKLMQMDM-HXSCFSKGSA-N	309.410	1.157	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)c(C)c1	1549317524	WOOATHRINFVYAX-HZPDHXFCSA-N	301.390	1.617	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1cccc(C)c1	1549317038	VHVSVTVFNLNBEQ-HZPDHXFCSA-N	301.390	1.698	50	20	DDGD	
Cn1cc([C@H]2OCCC[C@H]2C=NNC(=O)c2ccccn2)cn1	1552447867	MSYNZKJVMBHNHC-WFASDCNBSA-N	313.361	1.699	50	20	DDGD	
NC1CC(CC(=O)NNC(=O)c2cc3c(s2)CCCCC3)C1	1580160101	KTHWPYLYLMKIFV-UHFFFAOYSA-N	321.446	1.905	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)C2(F)CCC2)C1	1846750701	ZAZZVXITXJLHMB-VIFPVBQESA-N	306.740	1.616	50	20	DDGD	
Cn1cc(C(=O)NNc2ncccc2C(=O)O)c(C(F)F)n1	1594530431	SROYCIPDLOZJMU-UHFFFAOYSA-N	311.248	1.208	50	20	DDGD	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)NNc1ccc(C(=O)O)cc1F	1594197536	UOQYUKMFBHKUCZ-KCJUWKMLSA-N	308.309	1.972	50	20	DDGD	
CNC(=O)NN=Cc1c(C(=O)O)[nH]c2cc(OC)cc(OC)c12	1776038920	UJRUPJRXFPCESM-UHFFFAOYSA-N	320.305	1.146	50	20	DDGD	
Cn1nc(C(=O)O)cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1	1776115516	BDIQYPSWCWMGQI-RMKNXTFCSA-N	314.276	1.803	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C/c1ccccc1OCCC(=O)O	1776118081	RESNKOSMMAUNOD-KPKJPENVSA-N	308.297	1.707	50	20	DDGD	
C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cl)CC	1799270338	NYBFWZLWDPJIQR-OPDFLTKYSA-N	314.813	1.170	50	20	DDGD	
COC[C@H](C)NC(=S)NNC(=O)c1cn(C)c2ccccc12	14853428	RNOXJIYLXOOVJC-JTQLQIEISA-N	320.418	1.322	50	20	DDGD	
N#Cc1ccc(NNC(=O)Nc2cccnc2-n2cncn2)cc1	158953883	BYEJCDQPJMLHFT-UHFFFAOYSA-N	320.316	1.683	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H]1CCCCO1	153021650	JKCFHSGMIQTKSY-CQSZACIVSA-N	306.362	1.344	50	20	DDGD	
O=C1C[C@H](C(=O)NNC(=O)c2ccccc2)[C@H]2CCCC[C@H]2N1	209283699	ICYLUYLFSORKJC-HZSPNIEDSA-N	315.373	1.143	50	20	DDGD	
CC(C)(O)CN1CCN(C[C@@H](CBr)C2CC2)CC1	859117765	SUFJWCLNCAWDAG-CYBMUJFWSA-N	319.287	1.796	50	20	DDGD	
CN(CCC(=O)NN(C)C1CC1)C(=O)OCc1ccccc1	496163812	AHTYBCCWYZOXAV-UHFFFAOYSA-N	305.378	1.771	50	20	DDGD	
CCOC(=O)NNC(=O)c1nnn(-c2cccc(C)c2)c1C	54146979	WZWOGRKAAHHVDK-UHFFFAOYSA-N	303.322	1.275	50	20	DDGD	
O=C(CNC(=O)c1ccccc1)NNc1ncccc1Cl	114883258	JKDCMIXZOHSBCB-UHFFFAOYSA-N	304.737	1.608	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1	26973162	FUVUBLYQHRRJSU-HNNXBMFYSA-N	323.308	1.159	50	20	DDGD	
CCC(=O)N1CCC[C@H](C(=O)NNc2ccccc2[N+](=O)[O-])C1	53061297	NJASJWAQNRAEPF-NSHDSACASA-N	320.349	1.687	50	20	DDGD	
COc1cc(CC(=O)NNC(=O)c2ccccc2O)ccc1C	28641132	JYNTVUQBEONHTQ-UHFFFAOYSA-N	314.341	1.713	50	20	DDGD	
COC(=O)NCCC(=O)NNc1ccc(Br)cc1	171664875	DGHWBLGVQSZCAB-UHFFFAOYSA-N	316.155	1.638	50	20	DDGD	
C#CCCCCC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	179637062	QDLQUCXLAOSFIT-GFCCVEGCSA-N	306.337	1.934	50	20	DDGD	
COc1cccc(CO[C@H](C)C(=O)NNC(=O)NC(C)C)c1	68808837	OVJUTVDKTNVPRH-LLVKDONJSA-N	309.366	1.339	50	20	DDGD	
CCO[C@@H](C)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	112824888	BZZZEFXXIXZECD-NSHDSACASA-N	302.334	1.058	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCc2ccc(Cl)cc2)no1	112729350	IKXBWDRLVASZPF-UHFFFAOYSA-N	308.725	1.781	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1ccc2oc(=O)ccc2c1	170697890	UIGARPZMORSVIK-UHFFFAOYSA-N	324.296	1.655	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cc3cc(Cl)ccc3[nH]2)cn1	117821042	CBAYTSWRQZTZKA-UHFFFAOYSA-N	317.736	1.630	50	20	DDGD	
O=C(CSCc1ccncc1)NNc1ccc(Cl)nn1	118501402	XGITYJXKOSSHTD-UHFFFAOYSA-N	309.782	1.902	50	20	DDGD	
CN(C)N(C(=O)/C=C/c1ccccc1)[C@H]1CCS(=O)(=O)C1	67508953	SWNCONSYOJQVRY-VFNNOXKTSA-N	308.403	1.192	50	20	DDGD	
COC(=O)CNS(=O)(=O)c1ccc(CCCCl)cc1	171085496	YWBIFDPUGUJVPL-UHFFFAOYSA-N	305.783	1.309	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C#Cc2ccc3c(c2)OCO3)o1	122322802	RKJLURCSHPOYRF-UHFFFAOYSA-N	312.281	1.129	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccc(C[S@](C)=O)c1	68266551	MZTZALKGGASJJS-OAQYLSRUSA-N	311.407	1.309	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)CCc1ccc(OC)cc1	128838758	RQNGTUIABQBJAI-CYBMUJFWSA-N	310.419	1.917	50	20	DDGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCCOC(N)=O)c1C	181174743	TYKIJYUOKXPGSL-NTEUORMPSA-N	318.377	1.633	50	20	DDGD	
C[C@@H](CS(C)(=O)=O)C(=O)NNc1ccc(OC(F)F)cc1	122527460	MJMZCHRNIDPRTK-QMMMGPOBSA-N	322.333	1.412	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccccc1Cn1cncn1	79583902	RQGGZXNCQUBCKA-UHFFFAOYSA-N	301.350	1.134	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1cn(-c2ccccc2)nn1	36830685	DKLPPFNWOYVGNT-UHFFFAOYSA-N	323.312	1.048	50	20	DDGD	
Cc1cnccc1CNC(=O)NNC(=O)CCc1ccccc1	188310005	YSMPMRQCFYIWKL-UHFFFAOYSA-N	312.373	1.853	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[C@@H]1CCO	188470222	GZEVJTOQZBDBID-MFKMUULPSA-N	308.338	1.772	50	20	DDGD	
O=C(NC[C@H]1CCCS1(=O)=O)NNc1ccccc1Cl	124356036	JNWBGSYEFADWKR-SECBINFHSA-N	317.798	1.543	50	20	DDGD	
C[C@](O)(CC(=O)NNc1cc(Cl)nc(N)n1)c1ccccc1	121655669	CASRAVVHWRJPHR-AWEZNQCLSA-N	321.768	1.453	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCCOc1cccc(F)c1	124577396	NNWFADITXGHDJU-UHFFFAOYSA-N	319.336	1.784	50	20	DDGD	
CC(C)C[C@H]1OCCC[C@@H]1NC(=O)NNC(=O)c1ccc[nH]1	186240114	LZQBXCJAZMSNNV-WCQYABFASA-N	308.382	1.552	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc3c(c2)COC3)[nH]n1	183465452	WTYFYDMCWJWVOO-UHFFFAOYSA-N	301.306	1.215	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)n1	79503522	FTXVERDDVOHNIY-CYBMUJFWSA-N	314.345	1.549	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2ncc(Cl)cc2Cl)CN1	133009874	UWWFXUWVDBMYRO-ZCFIWIBFSA-N	303.149	1.358	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCC(=O)Nc1cccnc1	194519372	VNNQSGQLCPTZII-MDWZMJQESA-N	322.324	1.449	50	20	DDGD	
O=C(NCc1ccsc1)NNC(=O)c1cccc([N+](=O)[O-])c1	46038716	SLEBMORKOPXRIL-UHFFFAOYSA-N	320.330	1.801	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1c[nH]c2ccccc2c1=O	195210841	IGHNLFFIUBVYBU-UHFFFAOYSA-N	313.357	1.869	50	20	DDGD	
CC[C@H](COC)NC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	133398981	BLYKJDMNQLQVKH-CNTYAEFGSA-N	300.362	1.653	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NN=Cc2cn(C)nc2C)c1	252640438	YTXNPFZQTIYWKA-UHFFFAOYSA-N	300.362	1.874	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc(F)cc1Cl	269429744	YQTCPHUOJBIIBC-NSHDSACASA-N	300.717	1.809	50	20	DDGD	
O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1O)N[C@H]1CC=CCC1	266724018	ABUVEOIARAEISF-VIFPVBQESA-N	320.305	1.353	50	20	DDGD	
COc1ccnc(NNC(=O)c2csc(C(C)(C)C)n2)n1	263973232	ICKDZPVSWGCIPQ-UHFFFAOYSA-N	307.379	1.996	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2nc[nH]n2)c1	269448172	SHTORPTXRNMTJF-UHFFFAOYSA-N	317.349	1.077	50	20	DDGD	
O=C(NCc1coc(-c2ccccc2)n1)NNC(=O)C1CCC1	266750017	GMGWZJQTKSGAOO-UHFFFAOYSA-N	314.345	1.972	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)s1	268127046	OMPGGQJDRSNRJN-JOYOIKCWSA-N	322.434	1.483	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@H](C)C(C)C)cc(OC)c1OC	264859024	FDONYKCAYOIORU-SNVBAGLBSA-N	324.377	1.766	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1cnc2c(c1)NC(=O)CO2	367510990	VONZHIWWIGAGDS-UHFFFAOYSA-N	316.292	1.617	50	20	DDGD	
Cc1ccc(OCCCC(=O)NNC(=O)NC2CC2)c(C)c1	268868285	OJDKSZKGTAWRTF-UHFFFAOYSA-N	305.378	1.955	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@H]1CCN2CCC[C@H]2C1	363913738	LIJKHFRUEXDYLD-UWVGGRQHSA-N	310.789	1.383	50	20	DDGD	
CN(CC(=O)NNC(=O)C1CCC1)C(=O)OCc1ccccc1	277046789	HUWYONYNVXDSTB-UHFFFAOYSA-N	319.361	1.203	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)[C@H]1C[C@@]12CCOC2	364088235	XBRUXNQBSBYRBE-MEBBXXQBSA-N	322.386	1.058	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CC(C)C)nnn1CC1CCCC1	279131674	YWEPFEBNZMAWCY-UHFFFAOYSA-N	307.398	1.584	50	20	DDGD	
O=S(=O)(CBr)N[C@H]1CCOc2c(F)cccc21	276209699	OUHNMWXABHMWMQ-VIFPVBQESA-N	324.171	1.921	50	20	DDGD	
O=C(NNc1cccc(Cl)c1)[C@H]1CCCCS1(=O)=O	273227485	ODNOCMQFCWZSPE-LLVKDONJSA-N	302.783	1.750	50	20	DDGD	
COc1ccc(NNC(=O)NCC[C@@H]2CCO[C@@H](C)C2)nc1	276004631	SGPCZPHTTOVKHA-NWDGAFQWSA-N	308.382	1.922	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NC2CC2)csc1Br	274666158	WRRRTEQCRCIHNM-UHFFFAOYSA-N	318.196	1.925	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccc(OCC(F)(F)F)cn1	277563954	ZAKDVDZFXZHBJR-UHFFFAOYSA-N	303.240	1.194	50	20	DDGD	
O=C(NNc1ncccc1F)[C@@H]1COCCN1C1CCCC1	285923553	JBLPGGPZOYSOHQ-ZDUSSCGKSA-N	308.357	1.307	50	20	DDGD	
COCCCn1nccc1/C=C(\C#N)C(=O)Nc1ccn(C)n1	282886505	DXEVGTQSYIVZGP-ZRDIBKRKSA-N	314.349	1.199	50	20	DDGD	
C[C@@](O)(C(=O)NNc1nnc(-c2ccccn2)s1)C1CC1	287049780	WXFKHRKFHFYECU-ZDUSSCGKSA-N	305.363	1.204	50	20	DDGD	
CCC(CC)N1C[C@H](C(=O)NNc2cccc(F)n2)CC1=O	286119976	AHJTYWRONHGMQS-SNVBAGLBSA-N	308.357	1.701	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(OC)ccc1Br	286486276	VQQIJZORFFTRSP-UHFFFAOYSA-N	317.139	1.801	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)c3cnn(C)n3)cc2C1	284237728	HHDOOMFYSSCQIH-MRVPVSSYSA-N	319.390	1.076	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@H]1CCc2[nH]ncc2C1	280657675	OGRLGVMOZGAEHG-QMMMGPOBSA-N	319.296	1.705	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@H]1CCCC12CCOCC2	282544921	SSWQDJDPLRZVGF-LBPRGKRZSA-N	306.366	1.308	50	20	DDGD	
CCOc1ccc(NNC(=O)Cc2nnc(NC)s2)cc1	294384797	PLKZDWQGUVESNW-UHFFFAOYSA-N	307.379	1.664	50	20	DDGD	
COc1ccc(C=NNC(=O)C(=O)N2CCCC2)c(C)c1OC	807967613	DTXBMGYGRPWHJI-UHFFFAOYSA-N	319.361	1.085	50	20	DDGD	
Cc1c(NNC(=O)C(=O)c2cccn2C)cccc1[N+](=O)[O-]	807121711	ZLADLTHUWUZFSA-UHFFFAOYSA-N	302.290	1.568	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1c(F)c(F)cc(F)c1F	294653579	NGXBSQRAXLQFGT-ZETCQYMHSA-N	306.215	1.183	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccncc2)c(C)c1OC	804143794	NTMOFSTXDYURHL-UHFFFAOYSA-N	315.329	1.482	50	20	DDGD	
CCn1cc(CNC(=O)NNC(=O)CCc2ccccc2)cn1	805824870	ZOPYOTZLZNFZSX-UHFFFAOYSA-N	315.377	1.366	50	20	DDGD	
CC(C)(C#N)c1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)cc1	295598823	PRGIPXAHEBTSEB-CQSZACIVSA-N	315.373	1.818	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ccc(-n2ccnc2)nn1)C(C)(C)C	805121773	UMRQHFQAWDHMJI-NSHDSACASA-N	317.397	1.971	50	20	DDGD	
COC(=O)Cc1occc1C(=O)NNc1cc(Cl)ccn1	810942507	MNIYXGDUPSGLBI-UHFFFAOYSA-N	309.709	1.800	50	20	DDGD	
CCOC(=O)Oc1ccc(C(=O)NNc2ncncc2F)cc1	817080342	ZRPGORFATBOAQN-UHFFFAOYSA-N	320.280	1.908	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NNc1cccc(F)c1C(=O)OC	819710307	FVNGZWCQFZCEAQ-HJWRWDBZSA-N	307.281	1.499	50	20	DDGD	
Cc1ccc(OCC(=O)NN=C2CCN(CCO)CC2)cc1C	819805907	GNGVDKJSLCRMBI-UHFFFAOYSA-N	319.405	1.243	50	20	DDGD	
O=C1CC[C@](C(=O)NNc2ccccc2)(c2ccccc2)CN1	816840430	OLMWGEGJBRTUMR-GOSISDBHSA-N	309.369	1.978	50	20	DDGD	
COC(=O)COc1ccc(C(C)=NNC(=O)CC2CC2)cc1	814987232	MGHNAULOXJPQSD-UHFFFAOYSA-N	304.346	1.879	50	20	DDGD	
Cc1nc(O)nc(O)c1CCC(=O)NNc1ccc(F)cc1	817993825	PEQWDJDNSLUMTK-UHFFFAOYSA-N	306.297	1.411	50	20	DDGD	
C[C@@H](C(=O)NN(C)C1CC1)S(=O)(=O)c1ccc(F)cc1	819646602	AQCZFIHDJDWVHF-VIFPVBQESA-N	300.355	1.113	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)c2c(C)nc3ccccn23)c(C)o1	814257137	FGUKPODZOOQWQM-UHFFFAOYSA-N	313.317	1.322	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H]1CCC[C@H](OC)C1	814409713	SZOPUNTXBXQANV-RYUDHWBXSA-N	306.362	1.661	50	20	DDGD	
CC(C)COc1ncc(C(=O)NN(C)[C@H](C)CO)cc1Cl	823935971	YKHBOCCNSSGSFR-SNVBAGLBSA-N	315.801	1.727	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)COc1ccccc1F	491667039	WVFYSXVUWQUAHM-UHFFFAOYSA-N	300.293	1.185	50	20	DDGD	
CC[C@@H](CO)N(CC(=O)NNC(=O)C(C)C)Cc1ccccc1	828774111	DVXBDRNKRSGXHB-HNNXBMFYSA-N	321.421	1.063	50	20	DDGD	
Cc1ccc(OCCNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	825525489	FHLRTXBLGUQVAN-JSGCOSHPSA-N	321.377	1.129	50	20	DDGD	
C=CCc1ccc(OCC(=O)NN(C)[C@H](C)CO)c(OC)c1	823986863	AVABGNWRQZZMBQ-GFCCVEGCSA-N	308.378	1.146	50	20	DDGD	
C/C=C\C[C@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)OCC	491173914	FWCMVHHQQAVKAA-ZESRMSDTSA-N	316.361	1.341	50	20	DDGD	
CN1CCC[C@H](NC(=O)/C(C#N)=C/c2ccc(F)cc2)C1=O	490881777	YYPPYHYBVWHDCO-TZIYXEQSSA-N	301.321	1.470	50	20	DDGD	
CN(C)CC(=O)NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1	727647822	JLSLMCXMDXCPJA-UHFFFAOYSA-N	316.317	1.867	50	20	DDGD	
COC(=O)NCc1ccc(NC(=O)NN=c2cc[nH]cc2)cc1	495557957	RYZAVDYIHYFGIB-UHFFFAOYSA-N	315.333	1.508	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1nc(-c2ccccc2)no1	726424076	OAGZPTQBNVCWIV-UHFFFAOYSA-N	315.377	1.919	50	20	DDGD	
O=C(O)Cc1ccccc1NC(=O)NNC(=O)c1ccccc1	821538327	MBXPMRAHHUVITH-UHFFFAOYSA-N	313.313	1.780	50	20	DDGD	
CS(=O)(=O)CCCCNC(=O)NNc1cc(Cl)ccn1	823808325	JFROKGNLMAYYLJ-UHFFFAOYSA-N	320.802	1.186	50	20	DDGD	
COC[C@@H](C)OC(=O)/C(C#N)=C/c1cc(-c2nn[nH]n2)cs1	821682802	NXMCFAAFGGOKPR-KLUICZCQSA-N	319.346	1.413	50	20	DDGD	
COC[C@](C)(CC(=O)O)NC(=O)[C@H](Br)C(C)(C)C	909376931	WIDKSOWFAXGKPB-CABZTGNLSA-N	324.215	1.792	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C2(C(=O)CC)CC2)nc1C	827944981	OOIYUPSKJHIYBD-UHFFFAOYSA-N	320.349	1.164	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@H](CC(=O)O)c1ccc(OC)cc1	829817157	BKVAJKVXZQKVKF-GAJOTYCWSA-N	318.329	1.771	50	20	DDGD	
C[C@@]1(C(=O)N2[C@H]3CC[C@H]2CC(=O)NC3)C[C@@H]1Br	906900055	GFWFHMKEVZGYEP-PHGLEFOZSA-N	301.184	1.039	50	20	DDGD	
OB(O)c1ccc(CNc2ccc3c(c2)[C@@H](O)CCCC3)cc1	585046701	BFEWMEGENVAELS-SFHVURJKSA-N	311.190	1.738	50	20	DDGD	
COc1ccnc(NNC(=O)c2cccc(NC(=O)O)c2)n1	738143541	PHNOCIPMNIXLER-UHFFFAOYSA-N	303.278	1.332	50	20	DDGD	
CCOCCOCCN(C)C(=O)[C@]1(C)C[C@@H]1Br	907655447	ZYRKIVCLWNKQSQ-CMPLNLGQSA-N	308.216	1.671	50	20	DDGD	
COCCCOc1cccc(C(=O)NNC(=O)CC2CC2)c1C	820757921	NSEKRYLKTACZBM-UHFFFAOYSA-N	320.389	1.971	50	20	DDGD	
O=S(=O)(/C=C/c1cccc(Cl)c1)N1CC[C@@H](B(O)O)C1	585058488	GPXBLEZQEFEGQA-OKPNEXGHSA-N	315.587	1.189	50	20	DDGD	
CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)Cn1ccc2ccccc21	900590746	NKLNTFMLHCPDQW-BXUZGUMPSA-N	303.362	1.196	50	20	DDGD	
CC(C)(C)OC(=O)NC1(C(=O)NNC(=O)CC2CC2)CCC1	496830265	BSXLZTZFYHPTNR-UHFFFAOYSA-N	311.382	1.381	50	20	DDGD	
OB(O)c1cccc(CN[C@@H](CN2CCCC2)c2ccccc2)c1	585015853	BJFUQPKJNPQOGG-IBGZPJMESA-N	324.233	1.293	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1ccc([N+](=O)[O-])cc1C)C(C)(C)C	832006849	DEINPTFNINAMQG-CYBMUJFWSA-N	322.365	1.897	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccc(Cn2cc(Cl)cn2)s1	905089321	GPHOQPKWLVZTDY-UHFFFAOYSA-N	324.793	1.817	50	20	DDGD	
CCS(=O)(=O)CCN(C)C(=O)/C(C#N)=C/c1ccc(F)cc1	588431527	AVNDLNVANYOPKS-JLHYYAGUSA-N	324.377	1.626	50	20	DDGD	
Cc1cccc(O[C@H](C)CNCc2ccc(B(O)O)cc2F)c1	585027839	DTJWAFORHZLGEA-CYBMUJFWSA-N	317.169	1.371	50	20	DDGD	
COC(=O)c1ccc2c(c1)N(S(=O)(=O)CCCCl)CC2	907910117	FMBFSDZDGSEEOU-UHFFFAOYSA-N	317.794	1.794	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(Br)co1	837676641	PYFFEHRVBBJSLV-QMMMGPOBSA-N	317.139	1.372	50	20	DDGD	
C=C(CBr)CN1C[C@H](C)N(CCOC)[C@H](C)C1	830075154	WYYUEMZEZSQZPU-BETUJISGSA-N	305.260	1.979	50	20	DDGD	
C#CCCCC(=O)NN=Cc1csc(N(C(C)=O)C2CC2)n1	901323932	BHGRYWVVPBUDNO-UHFFFAOYSA-N	318.402	1.912	50	20	DDGD	
CC1(CC(F)(F)F)CN(S(=O)(=O)CBr)C1	832768622	IYIPYNDSYUAUMA-UHFFFAOYSA-N	310.135	1.943	50	20	DDGD	
CC(C)(C)n1ccc(-c2nc(-c3ccc(B(O)O)cc3)no2)n1	585051606	KDKNADBLSAMFES-UHFFFAOYSA-N	312.138	1.035	50	20	DDGD	
CC1=C(C(=O)NN=c2cc[nH]c3ccccc23)C(=O)OC1(C)C	730289046	RBJCNYLSSGGOBO-UHFFFAOYSA-N	311.341	1.752	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H](C)Cc2cnn(C)c2)cc1	837311408	UUIGGMDTYDRNMH-GFCCVEGCSA-N	314.389	1.622	50	20	DDGD	
O=C(NNc1nc[nH]n1)[C@@H]1C[C@H]1c1cccc(Br)c1	839769159	HRIPBENQIQZCQR-VHSXEESVSA-N	322.166	1.814	50	20	DDGD	
COC[C@H](C)NC(=S)NNC(=O)CCCc1ccccc1	915594214	VKLCHVZQHZOHPN-LBPRGKRZSA-N	309.435	1.540	50	20	DDGD	
Cc1ccc2c(c1C)N(CC(=O)NNC(=O)C1CC1)CCC2	832722678	NNEJAJSHQOFEIQ-UHFFFAOYSA-N	301.390	1.613	50	20	DDGD	
CS[C@H]1CC[C@@H](NC(=O)NNC(=O)Cc2cccnc2)C1	743589418	UPSKUUJLEKORIM-NEPJUHHUSA-N	308.407	1.239	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=Cc2cccnc2)c1	915052490	ZCXUJOPXZOXPAV-UHFFFAOYSA-N	303.343	1.249	50	20	DDGD	
Cc1cc2c(cc1C)O[C@H](C(=O)NNC(=O)c1ccccn1)C2	742463687	VJAWFYDTFUCTEB-HNNXBMFYSA-N	311.341	1.463	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)N[C@H](C)CS(C)(=O)=O	918606360	AYCYXUVPZYCETG-SECBINFHSA-N	319.814	1.708	50	20	DDGD	
C[C@@H]1CC(C)(C)CCC1=NNC(=O)[C@@H]1CCS(=O)(=O)C1	748250501	OBXUWKHQQIOIHZ-GHMZBOCLSA-N	300.424	1.740	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1[C@H]2CCCO[C@H]2C1(C)C	743434719	YIUZVWPABPMBFA-LDYMZIIASA-N	308.407	1.955	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1ccc2c(c1)NC(=O)CO2	842554695	ILKWBEQAGZHDCZ-CMPLNLGQSA-N	317.345	1.283	50	20	DDGD	
CCN[C@H](C)CNC(=O)NNC(=O)Nc1ccc(OC)cc1	841985928	OXLATCWTZZSNDC-SNVBAGLBSA-N	309.370	1.029	50	20	DDGD	
Cc1ccccc1-n1cc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)nn1	842560563	MPLOIXLVBKUOIT-TZMCWYRMSA-N	313.361	1.451	50	20	DDGD	
CC(=NNC(=O)c1ccc[nH]1)c1ccc(S(C)(=O)=O)c(F)c1	741760113	SETNBRPKCOMTSJ-UHFFFAOYSA-N	323.349	1.711	50	20	DDGD	
Cc1ccc(NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)nn1	743807508	GPARBOJREXDCPZ-UHFFFAOYSA-N	321.362	1.337	50	20	DDGD	
CC[C@H](C#N)C(=O)NNC(=O)CSc1ccccc1OC	845903651	QYZASWGRDRTPSR-SNVBAGLBSA-N	307.375	1.484	50	20	DDGD	
CCOc1ncccc1CNC(=O)NNc1nccc(OC)n1	916400305	BTWNFNYWVNSUQT-UHFFFAOYSA-N	318.337	1.105	50	20	DDGD	
CCN[C@H](C)CNC(=O)NNC(=O)c1cc2c(s1)CCC2	841986186	QWTSDXYDJRGKNX-SECBINFHSA-N	310.423	1.179	50	20	DDGD	
N[C@H](CNC(=O)NNc1ccccc1OC(F)(F)F)C1CC1	841966333	UNJMDOSGMLPHGB-SECBINFHSA-N	318.299	1.949	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)Cn1nnnc1C(C)C	746518871	HEHCVDGJEVGDLH-UHFFFAOYSA-N	321.293	1.319	50	20	DDGD	
CCO[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccccc1	843650045	ZAOXPTHIJYPYQH-YUTCNCBUSA-N	306.362	1.337	50	20	DDGD	
C[C@@H]1CCC[C@@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)C1	745152694	DNUUEDKWUJVEIP-TZMCWYRMSA-N	318.373	1.817	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCC(=O)N(C)C1CCCCC1	748664902	ONQVOFZDELTSBH-UHFFFAOYSA-N	312.414	1.154	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NC[C@@]2(C)CCOC2)cc1	844974595	ZDTIWLYDWXSPFJ-MRXNPFEDSA-N	321.377	1.455	50	20	DDGD	
NNC(=O)C[C@H](NC(N)=O)c1cccc(Oc2ccccc2)c1	916665633	UFVJATSIIKFNTP-AWEZNQCLSA-N	314.345	1.568	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(Cl)c(OC)c(OC)c1	844776148	FFOSIIVJDKBQLU-UHFFFAOYSA-N	317.729	1.156	50	20	DDGD	
CCNC(=O)NC(=O)COC(=O)/C(C#N)=C\c1ccc(C)cc1	849210440	YLPLGWMFKCTPHH-JYRVWZFOSA-N	315.329	1.291	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1cccc(Cl)c1	843645033	QECVUNFQRYSDRS-MFKMUULPSA-N	310.781	1.845	50	20	DDGD	
O=C(NNC(=O)c1ccccc1NCc1ccco1)NC1CC1	847392445	WSDXSUUWAAQIHY-UHFFFAOYSA-N	314.345	1.998	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H](C)CCOc1ccccc1	744478185	VMLYPGSNXPYOQE-CYBMUJFWSA-N	323.393	1.459	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C1C[C@H](C)n2ncnc21	841604096	OPUAUNXXQPTWCI-JTQLQIEISA-N	314.349	1.184	50	20	DDGD	
Cn1c(NNC(=O)C2CC3(CCC3)C2)nc2ccccc2c1=O	843798009	DOUQIDBGAIQGNN-UHFFFAOYSA-N	312.373	1.957	50	20	DDGD	
CCOCCn1cc(C(=O)NNc2ccc(F)cc2F)cn1	857118010	ZUHMDLHPRSGXTA-UHFFFAOYSA-N	310.304	1.955	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)c1ccn(CCN(C)C)n1	855371145	STBSUDZJSRIOAD-UHFFFAOYSA-N	305.357	1.649	50	20	DDGD	
CCO[C@@H](C(=O)NNC(=O)c1ccc2ccccc2n1)C1CC1	858090934	SSABATUPENZWML-OAHLLOKOSA-N	313.357	1.811	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cccnn2)c2ccccc2n1	757661159	NQUTXMSVNYDTIF-UHFFFAOYSA-N	322.328	1.800	50	20	DDGD	
CCc1nc2c(s1)C(=NNC(=O)CN1CCCC1=O)CCC2	756822715	AKQOWPBWAAAKBX-UHFFFAOYSA-N	320.418	1.485	50	20	DDGD	
COc1ccc(OC)c(NC(=O)NNC(=O)c2cccn2C)c1	755389261	JZNJKOYSZNFZIH-UHFFFAOYSA-N	318.333	1.509	50	20	DDGD	
CCNC(=O)N1CCc2ccc(NC(=O)NNC(=O)CC)cc21	756739197	UMRWFUFBLSWVCV-UHFFFAOYSA-N	319.365	1.341	50	20	DDGD	
Cc1nn(C(C)(C)C)c(C)c1C=NNC(=O)C(=O)N1CCCC1	755681582	ZGPJRHOPLQOWNW-UHFFFAOYSA-N	319.409	1.327	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C(C)(C)c1ccccc1)[C@H]1CCC(=O)N1	859297621	AAFARXRDYNYDNZ-WCQYABFASA-N	317.389	1.026	50	20	DDGD	
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NNC(=O)C2CCC2)C1	750297636	TUGAWPRWBMXUBG-DCVWQXJKSA-N	315.439	1.197	50	20	DDGD	
N#CSCCCNC(=O)COc1ccc2c(c1)CCC(=O)N2	854363420	ZFTADKLNMAGBPV-UHFFFAOYSA-N	319.386	1.671	50	20	DDGD	
C[C@@]1(CNC(=O)N2CCC(C(=O)O)CC2)C[C@H]1Br	857101514	ZKKMHYULZTZSOA-SKDRFNHKSA-N	319.199	1.666	50	20	DDGD	
CO[C@@H]1CCCN(C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	856904152	XXDAVBGFSYXOPE-JFGNBEQYSA-N	305.216	1.980	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCSC[C@H](C)C2)c1	753836633	ANSPFAZKBUZKEI-CYBMUJFWSA-N	321.446	1.441	50	20	DDGD	
CCOCC(C)(C)CNC(=O)NNc1ncc(Cl)cn1	856906189	ODLWRADEBCSRFD-UHFFFAOYSA-N	301.778	1.819	50	20	DDGD	
CCOC(=O)c1nc(=NC[C@@]2(C)C[C@H]2Br)cc[nH]1	856786347	GIGZDCOTPZQCBZ-PRHODGIISA-N	314.183	1.661	50	20	DDGD	
CCN1CCO[C@H](C(=O)NNc2cc(F)cc(Cl)c2)C1	855618738	PKPQESUUMCIKDZ-LBPRGKRZSA-N	301.749	1.643	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H]2C[C@H](C)n3ccnc32)c1	858519782	LDXIXNNPTLFCEF-UWVGGRQHSA-N	319.390	1.903	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C1CC(F)(F)C1	753563641	AXJMWBKHRMUDRI-QMMMGPOBSA-N	316.279	1.786	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1ccc([N+](=O)[O-])cc1F	855621475	UOFGIYIDHNTCLM-VIFPVBQESA-N	315.301	1.619	50	20	DDGD	
COC(=O)N(C)CC(=O)OC[C@@H](CBr)C1CC1	859508170	UMATURGMCUIEAP-SECBINFHSA-N	308.172	1.649	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1CCO[C@H](C(C)C)C1	932429990	UCYBNRRRMNSIHL-DOMZBBRYSA-N	320.389	1.907	50	20	DDGD	
CCc1ccsc1C(=O)NNC(=O)C(=O)Nc1ccccn1	758833356	LTUYDJBTLKNSCJ-UHFFFAOYSA-N	318.358	1.105	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1cccc(COC(C)(C)C)c1	933210163	OBPHEXBQZYFRGN-UHFFFAOYSA-N	322.409	1.716	50	20	DDGD	
O=C(Cc1cc(O)nc(S)n1)NN=C[C@@H]1C[C@H]2CC[C@H]1C2	762418507	QVUJHCUWXARHHZ-GUBZILKMSA-N	306.391	1.552	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNCC(F)(F)C(F)(F)F	863092119	GEAHYZDIPLMNGB-UHFFFAOYSA-N	301.215	1.652	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H](C)Cn1ccc(C)n1	867225498	URTKGRXDOOXXRF-LLVKDONJSA-N	316.361	1.758	50	20	DDGD	
CC(C)c1ncc(S(=O)(=O)NNC(=O)OC(C)(C)C)[nH]1	764933155	WRNIHNKYBIAWQS-UHFFFAOYSA-N	304.372	1.251	50	20	DDGD	
CC[C@](C)(NC(=O)NNC(=O)c1ccccn1)C(F)(F)F	933521387	GSGMLMOZHUDIPK-NSHDSACASA-N	304.272	1.757	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc(Cl)n1	934205617	PVNNLVIKXAKING-PSASIEDQSA-N	312.757	1.621	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@H]1c2ccccc2C[C@H]1O	866836431	OEZFEXNWSFLWFU-OLZOCXBDSA-N	317.838	1.829	50	20	DDGD	
CC(=O)NCCCCCC(=O)NNC(=O)c1cc(C)cs1	862475544	ODUDQQVSEPGXGB-UHFFFAOYSA-N	311.407	1.514	50	20	DDGD	
COc1cccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)c1C	861805198	URUSJNIKPPTITB-UHFFFAOYSA-N	321.377	1.526	50	20	DDGD	
O=C(NN=C1CCN2CCC[C@H]12)c1cc([N+](=O)[O-])ccc1O	765576167	JDJAMQOPOKSOOP-GFCCVEGCSA-N	304.306	1.254	50	20	DDGD	
CC[C@H](Cc1ccccc1)C(=O)NNC(=O)Cc1cc(C)[nH]n1	869012605	XZPYUFCQRJPDJK-CQSZACIVSA-N	314.389	1.677	50	20	DDGD	
COc1cc(C)cc2c1OCCC2=NNC(=O)c1cn[nH]c1	863155987	GXNNYZFKZOHWND-UHFFFAOYSA-N	300.318	1.643	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNC(=O)c1cc(C)cs1	862477193	INJATDGCRMHFRX-JTQLQIEISA-N	300.380	1.259	50	20	DDGD	
O=C(COc1ccc([N+](=O)[O-])c(F)c1)NNc1cccnn1	1116546356	UWPSRAQOURVSAW-UHFFFAOYSA-N	307.241	1.046	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H](O)[C@@H](C)c1ccc(C)cc1	764881350	PPYUKTXRQBXZRK-GXTWGEPZSA-N	307.394	1.590	50	20	DDGD	
Cc1cc(C)c(C=NNC(=O)c2ccc(-n3cnnn3)cc2)[nH]1	760233888	BVGJGNVOHYJELB-UHFFFAOYSA-N	309.333	1.371	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)NC1(C(F)(F)F)CCC1	879378340	CFVQSQIVUMZBHB-UHFFFAOYSA-N	317.267	1.821	50	20	DDGD	
CCOc1ncccc1CNC(=O)NN=c1cc[nH]c(C)c1	875061647	DQBDFCCTNHYACV-UHFFFAOYSA-N	301.350	1.432	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc3ccccc3n2CC#N)n[nH]1	768278473	NHFNCVUOKOABPT-UHFFFAOYSA-N	322.328	1.271	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)c1cn(C)cn1	873854783	UUUXJOKZQYCTJX-UHFFFAOYSA-N	317.418	1.922	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H](CC(C)C)C(N)=O)c1	873777744	YKWSZFFKRDOXAC-LBPRGKRZSA-N	322.434	1.460	50	20	DDGD	
CCCCOCC(=O)NNC(=O)c1nc2ccccc2s1	874913135	FHYDNLPSVDKDBS-UHFFFAOYSA-N	307.375	1.874	50	20	DDGD	
O=C(CN1CCCC1)NNC(=O)c1cc(-c2ccccc2)on1	873876863	CCEOPNAHIVBDJX-UHFFFAOYSA-N	314.345	1.198	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1cc2cccc(OC)c2o1	872403833	UHVYZIVGXBGGLH-UHFFFAOYSA-N	320.345	1.945	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccnc(OC(F)F)c1	875571801	CUQVLXDRVLNLIM-UHFFFAOYSA-N	304.253	1.095	50	20	DDGD	
C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NNc1ccc(F)cn1	874648268	KAXYVGMEXVHWCH-VIFPVBQESA-N	312.345	1.825	50	20	DDGD	
CC1(C)CCC[C@H]1C(=O)OCC(=O)NNC(=O)c1ccccc1	772603664	SDBTWLQBHWISQS-ZDUSSCGKSA-N	318.373	1.817	50	20	DDGD	
CCCSc1nsc(NC(=O)NNc2ncccn2)n1	775674318	WAIQFAWOVLOPIC-UHFFFAOYSA-N	311.396	1.979	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H]2CCCNC2=O)c1	873756830	RGMKJRYFLDEIRB-NSHDSACASA-N	320.418	1.147	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(-c2nncs2)cc1	879455724	ACGKYTUZMNGXAV-UHFFFAOYSA-N	307.379	1.820	50	20	DDGD	
Cc1ccn(CC(=O)OC[C@H](C)CBr)c(=O)c1	773710028	USDACHFNMLGUEE-SNVBAGLBSA-N	302.168	1.731	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2c3c[nH]nc3CC[C@@H]2C)n1	879829491	RKSOWIOZTIFBLJ-LKFCYVNXSA-N	313.361	1.240	50	20	DDGD	
CC(C)Cn1cc(NC(=O)NNC(=O)C2CCOCC2)cn1	878832592	QLJNBJDMLZPLDB-UHFFFAOYSA-N	309.370	1.118	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@@H]2COC3(CCCC3)O2)cc[nH]1	875455904	VDHVIDWMHDFFFI-CYBMUJFWSA-N	306.366	1.124	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNc1nc(-c2ccncc2)no1	770729437	KVWYQLQENLXAPS-UHFFFAOYSA-N	313.321	1.184	50	20	DDGD	
CC(C[C@@H](C)CC(C)C)=NNC(=O)[C@@H](C)NS(C)(=O)=O	779774657	ZFSGDZODVZCBMP-CMPLNLGQSA-N	305.444	1.489	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)C1CCOCC1)c1ccccc1	883704872	VFXWGXWVIVKQKO-CQSZACIVSA-N	301.346	1.118	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1	883466904	YWAUUOZETOWDMG-IACUBPJLSA-N	309.410	1.712	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(C(=O)NNc2ccccn2)cc1	777475244	UVFITWFWSGPUEK-UHFFFAOYSA-N	320.374	1.089	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccn(Cc2ccccc2)n1	773702086	NXVXHXQJRQWWIW-UHFFFAOYSA-N	301.350	1.238	50	20	DDGD	
CC(C)(CNS(=O)(=O)CCCCl)[C@@]1(O)CCCOC1	882416050	MFUPEWGVTCQJQL-GFCCVEGCSA-N	313.847	1.102	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1ccnc(-n2cccn2)c1	781832696	BJRNWOWDOOEHCK-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
CCN1CCOC[C@H]1C(=O)NNc1ccc(Cl)cc1F	885108192	YYAGMCVHFIJXLT-LBPRGKRZSA-N	301.749	1.643	50	20	DDGD	
CC(C)[C@@H](F)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	784016437	INZJRPZUWMGFEE-BXKDBHETSA-N	300.305	1.735	50	20	DDGD	
COC(=O)[C@@H]1CCN(C(=O)/C(C#N)=C\c2cnn(C)c2)[C@H](C)C1	886370526	LGWCFOIUUZWJOB-OHKIVTNPSA-N	316.361	1.127	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@@H]1CCC[C@H](C2CC2)C1	883753357	KGFTZNNXYZUYLB-UONOGXRCSA-N	309.410	1.712	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CCc2cc(O)ccc21	780228289	YOXKULSSEOAIFO-UHFFFAOYSA-N	303.362	1.464	50	20	DDGD	
CNc1c(C(=O)NNc2ncncc2Cl)cccc1[N+](=O)[O-]	781823637	LMDLBTVZQRVWQF-UHFFFAOYSA-N	322.712	1.837	50	20	DDGD	
CCc1nnc(S[C@H](C)C(=O)NNC(=O)CC(C)C)o1	882329702	HPVVUFHZORTVEC-MRVPVSSYSA-N	300.384	1.306	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C/c1ccc(-n2cncn2)c(F)c1	786042732	GKERVIIALWSMMR-VZUCSPMQSA-N	306.322	1.706	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCc2cccnc2)c1	780817700	MGBFOQDHJDITQF-UHFFFAOYSA-N	314.345	1.737	50	20	DDGD	
CN(C)C(=O)NN=Cc1cn(CCC#N)nc1-c1ccncc1	788425713	UIHGRFFYOFKNEB-UHFFFAOYSA-N	311.349	1.464	50	20	DDGD	
C#CCSCC(=O)NNC(=O)COc1cc(C)ccc1C	895410913	JSZYSKQRKWPFAM-UHFFFAOYSA-N	306.387	1.196	50	20	DDGD	
Cn1nnnc1CNC(=O)CCCC[C@H]1CCSS1	788602682	QHLVQGQVGCCPGL-VIFPVBQESA-N	301.441	1.540	50	20	DDGD	
Cn1nc(C2CC2)cc1C(=O)NNC(=O)c1ccccc1O	891810259	RZYFBRIFBQNYRI-UHFFFAOYSA-N	300.318	1.078	50	20	DDGD	
CNC(=O)c1cc2cc(NC(=O)NNC(=O)C3CC3)ccc2[nH]1	791917844	BFWKFTWQHFLZKX-UHFFFAOYSA-N	315.333	1.090	50	20	DDGD	
CNC(=O)NNC(=O)c1cc2c(C(F)F)nn(C)c2s1	792083059	GOFSEZYRBKBLNA-UHFFFAOYSA-N	303.294	1.146	50	20	DDGD	
O=C(NNC(=O)c1ncccc1Cl)c1cccc([N+](=O)[O-])c1	794198067	BCDAMLBYOJCRAM-UHFFFAOYSA-N	320.692	1.718	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@@H]1CN1CCC([C@H]2OCC[C@@H]2C(N)=O)CC1	894313842	KMMZZHSDSKDYAW-FRVYIDGWSA-N	300.830	1.462	50	20	DDGD	
CCN(CCC(=O)NC)C(=O)NC[C@@]1(C)C[C@@H]1Br	895922540	KAUDRBWGXSHRTH-JOYOIKCWSA-N	320.231	1.328	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCc1cnc2ccccc2c1	798124350	PTHNPQASWNFHGA-UHFFFAOYSA-N	314.414	1.849	50	20	DDGD	
Cc1c(NNC(=O)CCc2cnccn2)cccc1[N+](=O)[O-]	793709536	AYBUGWSGPXHBPK-UHFFFAOYSA-N	301.306	1.769	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)c2cnccn2)[nH]c1C	799476673	RFIZZTYHFSVDPJ-UHFFFAOYSA-N	301.306	1.054	50	20	DDGD	
COc1cc(NNC(=O)COC[C@@H]2CCCO2)ccc1Cl	790189294	PHHRSPGWKAKZRY-NSHDSACASA-N	314.769	1.987	50	20	DDGD	
O=C(Cc1ncccc1F)NNc1ncnc2ccsc12	792237041	GRXGUGVPANRFSE-UHFFFAOYSA-N	303.322	1.911	50	20	DDGD	
CCn1c(NNC(=O)c2cncnc2C)nc2ccccc2c1=O	1317864277	OYQPOTLQWSPAHH-UHFFFAOYSA-N	324.344	1.272	50	20	DDGD	
CC(C)CN(CC(=O)NN=c1cc[nH]cc1)C(=O)OC(C)(C)C	1319949856	NXSJZZCJBIJWFT-UHFFFAOYSA-N	322.409	1.840	50	20	DDGD	
COc1ccc(C=NNC(=O)c2n[nH]c3c2CCCC3)c(O)c1	1317837408	UPIGCYXVVGMVLP-UHFFFAOYSA-N	314.345	1.767	50	20	DDGD	
Cc1cc([C@H](C)NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(C)o1	1325963007	AQWRAHIPHYTWAH-JBLDHEPKSA-N	309.366	1.713	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)NC/C=C\C1CC1	1325358176	BTISRPIPWCLLME-ARJAWSKDSA-N	321.402	1.781	50	20	DDGD	
COC1(CNC(=O)NNc2ccc(C(C)(C)C)nn2)CCC1	1328640515	GCBCSIHBISERJL-UHFFFAOYSA-N	307.398	1.969	50	20	DDGD	
COCc1nocc1C(=O)Oc1ccc([N+](=O)[O-])cc1OC	1325916172	JOTKRNSZALAWHZ-UHFFFAOYSA-N	308.246	1.957	50	20	DDGD	
CCOc1ccc(C(C)=NNC(=O)C(=O)OC)cc1OCC	1323496197	KXZPWWWYAVQNMD-UHFFFAOYSA-N	308.334	1.497	50	20	DDGD	
Cc1nn(C)cc1CCC(=O)NC[C@]1(C)C[C@@H]1Br	1328644998	GURSFUYRRBEYHZ-AAEUAGOBSA-N	314.227	1.951	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1nccc(Cl)c1F	1327170933	HADXNKVJUWHCTK-UHFFFAOYSA-N	309.688	1.158	50	20	DDGD	
CN(C)Cc1cc(C(=O)NNC(=O)CCc2ccccc2)no1	1334680100	AYWPUDWQQYFCGF-UHFFFAOYSA-N	316.361	1.130	50	20	DDGD	
O=C(NNc1ncncc1F)N[C@H](c1ccncc1)C1CC1	1342578800	SMRRUABJTJEBBH-LBPRGKRZSA-N	302.313	1.788	50	20	DDGD	
O=C(NCC1(N2CCOCC2)CC1)C1CCC(Cl)CC1	1348517191	KVBQGXKLXRUOEB-UHFFFAOYSA-N	300.830	1.765	50	20	DDGD	
CC(C(=O)NNc1ccccc1S(=O)(=O)N(C)C)=C1CCC1	1261265410	FQYRWTVFVHYQOD-UHFFFAOYSA-N	323.418	1.880	50	20	DDGD	
C[C@@]1(CNC(=O)C(=O)NCCCCC#N)C[C@H]1Br	1347952199	MULCOUMMEMPOQQ-SKDRFNHKSA-N	316.199	1.086	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H]1CCCCN1C(=O)CC(C)C	1350968190	GXCDWVAJPCYTCW-LBPRGKRZSA-N	312.414	1.154	50	20	DDGD	
C[C@H]1CN(C(=O)C2CCC(Cl)CC2)CCS(=O)(=O)C1	1528309499	WLADQSTURVVZPL-UNXYVOJBSA-N	307.843	1.677	50	20	DDGD	
C[C@@H]1CCCN(C(=O)CCNC(=O)NNC(=O)C2CCCC2)C1	1521769745	GMJLTNBRDWLKKG-GFCCVEGCSA-N	324.425	1.156	50	20	DDGD	
O=C(N[C@@H](CC1OCCO1)C(=O)O)c1cccc(CCl)c1	1601413561	JOPVRTJHVWAMSU-NSHDSACASA-N	313.737	1.371	50	20	DDGD	
O=C(CCc1ccncc1)NNc1ccc(C(=O)O)c(F)c1	1601292809	PLLGSFOQRTUAEH-UHFFFAOYSA-N	303.293	1.995	50	20	DDGD	
C[C@H]1CSC[C@@H]1NC(=O)NNc1ccc(F)c(C(=O)O)c1	1604824366	ZVWXAOVMVGQLTB-CPCISQLKSA-N	313.354	1.902	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1ccccc1OC(F)(F)F	1608754670	XHRMPFORQJNVCE-UHFFFAOYSA-N	305.212	1.303	50	20	DDGD	
Cc1ccc(CCNC(=O)NNc2cccc(C(=O)O)c2)nc1	1607777088	LCSFCPIQGQSPCY-UHFFFAOYSA-N	314.345	1.957	50	20	DDGD	
Cn1ccnc1CNC(=O)NNc1ccc(C(=O)O)c(F)c1	1600987014	JVIRSGKMPMPCIR-UHFFFAOYSA-N	307.285	1.084	50	20	DDGD	
COC[C@@H](NC(=O)NNc1ccc(C(=O)O)cc1F)C1CC1	1606807813	QYLKZWQCPPZQHR-GFCCVEGCSA-N	311.313	1.575	50	20	DDGD	
O=C1CC[C@H](C(=O)NNc2ccc(C(=O)O)c(Cl)c2)CN1	1609035736	MQYOPGUUBFPIEV-ZETCQYMHSA-N	311.725	1.008	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)c1	1601088542	YDVRCIOGTROFEP-DTWKUNHWSA-N	308.725	1.551	50	20	DDGD	
CC(=O)c1ccc(CC(=O)NNc2ccc(C(=O)O)cn2)cc1	1609628926	FWVZJSWPBPGBGM-UHFFFAOYSA-N	313.313	1.668	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@H]1CCc2c[nH]nc2C1	1602230024	BBEKFNUPUHOIBD-QMMMGPOBSA-N	318.308	1.495	50	20	DDGD	
O=C(CNc1ccccc1)NN=Cc1ccc(-c2nn[nH]n2)cc1	1606559576	ISOWIWDWCVFBPO-UHFFFAOYSA-N	321.344	1.429	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)c1c[nH]c(C(=O)O)c1	1610656672	JUPIPNMPFVMAGF-UHFFFAOYSA-N	315.329	1.497	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1c(F)cccc1F	1549312086	AGBJUKRYLIUBLY-FZMZJTMJSA-N	323.343	1.668	50	20	DDGD	
CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](F)Cl)CC2	1814210283	HNEFKMCWYDYRPR-IMTBSYHQSA-N	305.762	1.609	50	20	DDGD	
CC(C)(C)c1ccc(CNC(=O)NNC(=O)C2CCNCC2)o1	1575272369	JFTCDFOQLOKTRZ-UHFFFAOYSA-N	322.409	1.407	50	20	DDGD	
C[C@H](Sc1ccc(Cl)cc1)C(=O)NNC(=O)[C@@H]1CCN1	1576300007	HYNKOUZWMINJED-KWQFWETISA-N	313.810	1.330	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H](CN)c2ccccc2)c1	1579832623	PZRSHRRTIUYTRD-LBPRGKRZSA-N	303.387	1.560	50	20	DDGD	
CC(C)(CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@H]1F	1847438100	ISDXZDPKUVUGKI-USZNOCQGSA-N	316.804	1.811	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)=O	1847867465	VWOGRXLWDIXTQR-SRVKXCTJSA-N	300.786	1.185	50	20	DDGD	
N#Cc1ccc(C(=O)NN=Cc2cccc(-c3nn[nH]n3)c2)cc1	1592690525	BZYCDLVUNGPGMC-UHFFFAOYSA-N	317.312	1.502	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@@H]1CC[C@H](C(=O)O)C1	1594417945	WJBKRUAIQYRIHN-OLZOCXBDSA-N	304.346	1.186	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)O	1590701928	UVWUOROIVMSRON-AXFHLTTASA-N	323.842	1.766	50	20	DDGD	
COC(=O)c1coc(C(=O)NNc2cccc(C(=O)O)c2C)c1	1599012962	PDXICOBDYDVSQR-UHFFFAOYSA-N	318.285	1.830	50	20	DDGD	
O=C(NNc1cccc(Cl)c1)c1ccc(-c2nn[nH]n2)o1	1593167374	HXAKLPYRSQSQSJ-UHFFFAOYSA-N	304.697	1.870	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCSc2ccc(F)cc2)cn1	12682544	YDRROVOBZLROFI-UHFFFAOYSA-N	322.365	1.503	50	20	DDGD	
Cc1cc(OCC(=O)NNC(=O)c2cccnc2)ccc1Cl	14015493	NQUWZEYZNJNLFM-UHFFFAOYSA-N	319.748	1.883	50	20	DDGD	
CC(C)NC(=O)c1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1	157416423	NNFSLZXRKQLZLY-UHFFFAOYSA-N	314.345	1.228	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)C2(c3ccccc3)CCC2)nn1	154344844	NGAZNTOPCWVOSG-UHFFFAOYSA-N	311.345	1.141	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCC[C@H](Cn2ccnn2)C1	154800169	CXRQKQBFYSAKJU-GFCCVEGCSA-N	320.846	1.339	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CNC(=O)c1cccs1	8089857	JKJLVUPBGUPFSQ-UHFFFAOYSA-N	317.370	1.248	50	20	DDGD	
CC(=O)N1CCC[C@@H](C(=O)NNc2cc(F)c(F)c(F)c2)C1	175479024	JUVULNINTQRBSF-SECBINFHSA-N	315.295	1.806	50	20	DDGD	
Cc1[nH]c(-c2ccccn2)n/c(=N\NC(=O)c2ccncc2)c1C	114892338	AZEZMVHMKTYVRE-UHFFFAOYSA-N	320.356	1.729	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc3ccccc3n2)cn1	27688269	GHTPACMXJDQIPQ-UHFFFAOYSA-N	322.324	1.713	50	20	DDGD	
CC(C)c1nc(CCNC(=O)NNc2ncccn2)cs1	102574342	GZQSPDCTKMLXBB-UHFFFAOYSA-N	306.395	1.925	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccccc2O)c(O)c1	101648230	PUWUQZRJPDMISQ-UHFFFAOYSA-N	300.314	1.410	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)CCOC[C@H]2CCCO2)nn1	118527913	LWTCAKNBHQSCBB-GFCCVEGCSA-N	322.409	1.803	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cc3cc(F)ccc3[nH]2)cn1	117820125	UNBXIEAXEMPIPU-UHFFFAOYSA-N	301.281	1.115	50	20	DDGD	
CCc1cnc(CNC(=O)NNC(=O)c2ccccc2)s1	174776542	FGBZOKNMBCBZDN-UHFFFAOYSA-N	304.375	1.850	50	20	DDGD	
Cc1ccc(CCC(=O)NNc2nnc(C)c(O)n2)c(C)c1	23311812	YLUJEPVGXSQDQP-UHFFFAOYSA-N	301.350	1.578	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNc2ccc(C)nn2)C12CCC2	175662319	ACVANJLUHNRQMQ-NEPJUHHUSA-N	305.382	1.759	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H](C)OC[C@@H]2CCCCO2)n1	66310674	GZGPLSAEKOPRFP-OLZOCXBDSA-N	308.382	1.511	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)NCC2CCC2)cc1	175049289	KVXFUIQCDOCIEW-UHFFFAOYSA-N	305.382	1.888	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1	171769962	LRLMWDSEJLJQLD-GFCCVEGCSA-N	324.425	1.012	50	20	DDGD	
Cc1cc(/C=C(/C#N)C(=O)OCC(N)=O)c(C)n1CC(C)C	34838264	ZIIPRBRHXXOLQG-NSIKDUERSA-N	303.362	1.696	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC12CC3CC(CC(C3)C1)C2	66688394	IQZAVSRKUUTHSR-UHFFFAOYSA-N	309.410	1.570	50	20	DDGD	
CSc1ncc(C(=O)NN(C)C(N)=O)n1-c1ccccc1	182659695	NNGQYVSYVFHGAQ-UHFFFAOYSA-N	305.363	1.250	50	20	DDGD	
CCCN(CC(=O)N(C)C)C(=O)/C(C#N)=C\c1ccc(O)cc1	188247227	UKVXUZIMBGRFSM-UVTDQMKNSA-N	315.373	1.626	50	20	DDGD	
Cc1[nH]c2c(C(=O)NNC(=O)[C@@H]3CCCO3)cccc2c1C	32261307	YNOQYFWTANHJPX-ZDUSSCGKSA-N	301.346	1.725	50	20	DDGD	
C[C@H](CCC(C)(C)C)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1	77625048	XCPXQFJSECZGLS-BXUZGUMPSA-N	319.471	1.582	50	20	DDGD	
C=C(Cl)CNC(=O)NNC(=O)CCc1ccc(OC)cc1	77791207	GOCSOHQLLVWRKW-UHFFFAOYSA-N	311.769	1.711	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCCn1cc([N+](=O)[O-])cn1	185572708	HIHVLUMQSYOLDE-UHFFFAOYSA-N	322.300	1.565	50	20	DDGD	
Cc1cc(C)c(NC(=O)C(=O)NNC(=O)c2ccc[nH]2)c(C)c1	123207806	BKCBCMBGTITGHP-UHFFFAOYSA-N	314.345	1.340	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cnc2ccccc2c1	124829949	VKQXDGDIZPZEOJ-JTQLQIEISA-N	314.345	1.367	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1cc(-c2ccco2)on1	138939365	PWGUQFLQUQJAOI-UHFFFAOYSA-N	316.273	1.672	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc(-c2ncn[nH]2)cc1	184470732	SMGIRVDSBPMDGN-UHFFFAOYSA-N	301.350	1.669	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CSc1ccc(F)c(F)c1	49468654	VORXJTQQKMWZKW-UHFFFAOYSA-N	303.334	1.796	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1nc(Cl)ccc1Cl	194901990	JCJBYRDLDWLLNU-UHFFFAOYSA-N	319.148	1.075	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2cc(C)ccc2C)cn1	131979742	DXZXGUITAVEMFH-UHFFFAOYSA-N	314.345	1.789	50	20	DDGD	
CCc1noc(CC)c1CC(=O)NNc1nccnc1OC	131699378	ZEEANLONSVDIEN-UHFFFAOYSA-N	305.338	1.284	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(F)cn1	193880940	QYQJINSVSNPZHI-UHFFFAOYSA-N	319.252	1.211	50	20	DDGD	
Cc1ncc(CNC(=O)NNC(=O)Cc2ccc(F)cc2)s1	98118773	MJPBSKVQSVXLCX-UHFFFAOYSA-N	322.365	1.664	50	20	DDGD	
O=C(CCC(F)(F)F)NNC(=O)c1cccc([N+](=O)[O-])c1	266270938	ZRMDHLYVZGPUAH-UHFFFAOYSA-N	305.212	1.698	50	20	DDGD	
COCCOc1ccc(C(=O)NNC(=O)NC2CCCC2)cc1	264648664	FYYGYUHCFNGZIJ-UHFFFAOYSA-N	321.377	1.598	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)C[C@H]1CCCCO1	267947933	XPGZWSYQNLZJAA-LLVKDONJSA-N	310.325	1.311	50	20	DDGD	
Cc1oc(-c2ccco2)nc1CC(=O)NNC(=O)C1CCC1	264745708	KHTZWNAAPOSQDX-UHFFFAOYSA-N	303.318	1.733	50	20	DDGD	
O=S(=O)(NC[C@H](O)C1CC1)c1ccc(CCCCl)cc1	269306808	GPALVUUMRHKQFM-AWEZNQCLSA-N	317.838	1.907	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@H](C)CC(=O)OC)c1	268353481	RRDTXPXHQIFOMP-SNVBAGLBSA-N	319.386	1.185	50	20	DDGD	
CC1(C)[C@H](NC(=O)NNC(=O)c2ccccc2F)[C@H]2CCO[C@H]21	265933379	FWXLOKYPBIDPBU-RAIGVLPGSA-N	321.352	1.583	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NC(C)C)c(=O)oc2ccccc12	267469153	OLFSYRZKLYEIRY-UHFFFAOYSA-N	303.318	1.454	50	20	DDGD	
COc1cccc(OCCCNC(=O)NNC(=O)CC(C)C)c1	265850325	YYVKGGIMHHGHAK-UHFFFAOYSA-N	323.393	1.841	50	20	DDGD	
O=C(NNc1ccccn1)[C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2	363927468	XHNGJBATCBRYJS-YJFSRANCSA-N	301.268	1.881	50	20	DDGD	
O=C(NNc1cccc(F)n1)[C@]1(O)CCc2ccccc2C1	367732776	CRKOMXVIHRTAIS-INIZCTEOSA-N	301.321	1.584	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2ccc(C)nc2)nc1C	272198996	PDQLSMHUUPIBNF-UHFFFAOYSA-N	315.333	1.422	50	20	DDGD	
COC(=O)c1ccc(S(=O)(=O)N2CC=C(C#N)CC2)cc1F	277679732	IPQCADYPMFSDCE-UHFFFAOYSA-N	324.333	1.457	50	20	DDGD	
O=C(NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)c1cc(Cl)ccc1O	367721420	OBAPJPDQJJCWQS-GMOODISLSA-N	324.764	1.622	50	20	DDGD	
COc1cc(CC(=O)NNC(=O)C(C)(C)C)cc(OC)c1O	278904849	AVVYWRZXVPWVQA-UHFFFAOYSA-N	310.350	1.145	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C2CCC(C(F)(F)F)CC2)cn1	277514551	DVVBKMGDQAQLFR-UHFFFAOYSA-N	318.299	1.550	50	20	DDGD	
Cc1cc(C(=O)NN)cc(C)c1OCC(=O)N1CCCCC1	270227042	NPHVTELVLKZWPR-UHFFFAOYSA-N	305.378	1.298	50	20	DDGD	
C[C@@H]1C[C@@H](CNC(=O)NNc2nc3ccccn3n2)CCO1	276972158	VNPQHBHBYJFBID-MNOVXSKESA-N	304.354	1.171	50	20	DDGD	
C=CCCS(=O)(=O)NNC(=O)CSc1ccccc1O	270644156	PDFRHCAVGPPDRR-UHFFFAOYSA-N	316.404	1.011	50	20	DDGD	
C=C[C@@](C)(CCOC)C(=O)NNC(=O)COc1ccccc1O	275661125	DWHCXAMAWSZVFU-INIZCTEOSA-N	322.361	1.147	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)CC[C@H]2CCCO2)nc1C	272219914	TUMBGTGUGDXRSB-LLVKDONJSA-N	322.365	1.364	50	20	DDGD	
CSCCNC(=S)NNC(=O)CSC(F)(F)F	271425004	NVMKLVYQSIVFMA-UHFFFAOYSA-N	307.388	1.098	50	20	DDGD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H]1CC=CCC1	273216533	KIQPRSZLOOYDPA-GHMZBOCLSA-N	311.382	1.403	50	20	DDGD	
CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NNc1cnccn1	274784967	ZBJIWDBXTOMGCO-NSHDSACASA-N	321.381	1.709	50	20	DDGD	
C=C(CBr)CN1CCN(C(=O)c2ccco2)CC1	279473432	NENCOHJHJPQDBJ-UHFFFAOYSA-N	313.195	1.989	50	20	DDGD	
CC(=O)NNC(=O)c1cc(OC(F)F)cc(OC(F)F)c1	272007247	VFEAXWKNOISSQZ-UHFFFAOYSA-N	310.203	1.670	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)cc1	282100804	HMQWNYHMLGECOP-SLEUVZQESA-N	305.378	1.368	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)COc2ccccc2F)C1	287468841	POBFNQNSWFURNM-UHFFFAOYSA-N	310.325	1.167	50	20	DDGD	
Cc1cc(CNC(=O)NNc2cccc([N+](=O)[O-])c2C)n(C)n1	287656088	CXIDEAHRCFDWIR-UHFFFAOYSA-N	318.337	1.771	50	20	DDGD	
COc1cccc(NNC(=O)CCN(C)C(=O)OC(C)(C)C)n1	285502558	AXJJDJXEWUSNBO-UHFFFAOYSA-N	324.381	1.790	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cc(C#N)cs1	287691686	CZTKKZSOIWDNSG-UHFFFAOYSA-N	311.363	1.170	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2cccc3ccsc23)CC1	287675891	BXXKQPNMJOJBJT-UHFFFAOYSA-N	318.402	1.503	50	20	DDGD	
Cc1noc(C)c1C(C)(C)C(=O)NNc1nc2ccccn2n1	281939081	WLLJEGIHPWNFOX-UHFFFAOYSA-N	314.349	1.755	50	20	DDGD	
CC(C)n1ccc(NC(=O)NNc2cc(Cl)nc(N)n2)n1	280697443	HHKXCWPBAVRTLF-UHFFFAOYSA-N	310.749	1.638	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)CCN(CC)CC)[C@H]1SC	807955880	IDHRJTHAQBMNEF-GXTWGEPZSA-N	301.456	1.731	50	20	DDGD	
CON=CC(=O)NNc1c(F)cc(F)cc1Br	809694257	LGUDFCFMEGHBTH-UHFFFAOYSA-N	308.082	1.803	50	20	DDGD	
O=C(CCc1nc(-c2ccco2)no1)NNc1ncccc1F	804215236	IBKLOIUVZYMVBB-UHFFFAOYSA-N	317.280	1.940	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H]2CCCC23OCCO3)c1	807062756	JXNAQLBZDYZOMX-ZDUSSCGKSA-N	310.325	1.821	50	20	DDGD	
CO[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1cccn1C	294491705	RLEYLQVHPBBZDQ-AWEZNQCLSA-N	301.346	1.044	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802117439	PROGBSIQXUYLQQ-UHFFFAOYSA-N	302.378	1.955	50	20	DDGD	
CC(=O)Nc1ccc(C(=O)NNC(=O)NC2CCCC2)cc1	299380789	ZRKQZSPQURXXBD-UHFFFAOYSA-N	304.350	1.532	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNC(=O)c1cccc(N(C)C)c1	294173150	CUHUZBZCWNXINJ-UHFFFAOYSA-N	315.377	1.178	50	20	DDGD	
C=CCC(C)(C)C(=O)NNc1nccc(N2CCOCC2)n1	294877741	HZZRZOSQDSUXGJ-UHFFFAOYSA-N	305.382	1.359	50	20	DDGD	
CC(=O)N1CCc2cc(C(=O)NNc3cccc(F)n3)ccc21	804768614	LNGXEFMMDPTIIP-UHFFFAOYSA-N	314.320	1.887	50	20	DDGD	
Cc1ncc2n1CC[C@@H](C(=O)NNc1cc(Cl)ccn1)C2	290558538	WXEVEGQVYUYYNH-SNVBAGLBSA-N	305.769	1.946	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C[C@@H]1CCC[C@H]1C	807372007	YOMSUXURCMPHNC-NEPJUHHUSA-N	300.399	1.749	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccc(CN2CCCC2)cc1	294103008	RUYLRIYPSVCJFS-UHFFFAOYSA-N	315.352	1.968	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2c[nH]nc2C(C)(C)C)n1	293123152	DZSJFHKAEWGHML-UHFFFAOYSA-N	304.354	1.571	50	20	DDGD	
C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NNC(=O)[C@H]1CCCCO1	295749043	OPLXMVZUJUDYLS-SUYBPPKGSA-N	320.389	1.258	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)Nc2ccccc2)n(C)c1	801985160	VUGBNDJNLFPYMD-UHFFFAOYSA-N	300.318	1.694	50	20	DDGD	
CCOc1ccc(NNC(=O)c2ccc(=O)n(CC)n2)cc1	817882476	PRGDNOSBFUJORF-UHFFFAOYSA-N	302.334	1.419	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)NC[C@@H]1CNCCO1	818008086	PBCSZJYRPYRNPZ-NWDGAFQWSA-N	304.481	1.805	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12	819144820	YDLJANHFYHFXDA-UHFFFAOYSA-N	302.290	1.637	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)[C@@H]1C[C@H](CC(=O)O)C1(C)C	814820798	CDPRDEAIWCZTFS-NEPJUHHUSA-N	311.382	1.541	50	20	DDGD	
O=C1CCCCC[C@H](C(=O)NNc2nc3ccccn3n2)C1	813534799	HACBTLNUGNWVEM-NSHDSACASA-N	301.350	1.712	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[Si](C)(C)c1ccccc1	812213188	BEJNSPQVNBCRJF-UHFFFAOYSA-N	307.470	1.518	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)CCc1ncccn1	812536197	STPMNJSTQVPVAF-UHFFFAOYSA-N	314.345	1.026	50	20	DDGD	
Cn1ncc(C=NNC(=O)Cn2cnc3ccccc32)c1Cl	814731080	YJRFWZNWQHOJCN-UHFFFAOYSA-N	316.752	1.574	50	20	DDGD	
COc1ccc(CCCC(=O)NNC(=O)c2ccnnc2)cc1	817694071	QZFUSEIRHNJBSM-UHFFFAOYSA-N	314.345	1.269	50	20	DDGD	
CCOCc1nc([C@@H](C)NC(=O)NNC(=O)CC(C)C)no1	812569037	XGVCLDGLSXUNFB-SECBINFHSA-N	313.358	1.044	50	20	DDGD	
O=C(NCC[C@@]1(O)C[C@H]2CC[C@H]1C2)NNC(=O)C1CCCC1	813789301	OSCDEAVJPCVAEI-DETPVDSQSA-N	309.410	1.448	50	20	DDGD	
C[C@@H](NC(=O)CC1CCCCC1)C(=O)NNC(=O)CC1CC1	819109500	FUHXKPLZNWMJAH-LLVKDONJSA-N	309.410	1.409	50	20	DDGD	
Cc1nnsc1C=NNC(=O)Cc1cn2ccccc2n1	814222974	ZDXMMUYSLFNQHJ-UHFFFAOYSA-N	300.347	1.187	50	20	DDGD	
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NNC(=O)CC1CC1	819140720	MOPGJPNKKKBXGL-HNNXBMFYSA-N	309.366	1.196	50	20	DDGD	
COC[C@H](C)[C@@H](C)C(=O)NNC(=O)COc1ccc(C#N)cc1	812532413	RMLIXMZNEUNUHV-NWDGAFQWSA-N	319.361	1.003	50	20	DDGD	
COc1ccc(C=NNC(=O)Cc2cc[nH]n2)c(C)c1OC	814955598	NQXRJCMCVCGTNB-UHFFFAOYSA-N	302.334	1.428	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc3n(n2)CCCC3)n1	826586158	UDTQZBARPYRHBA-UHFFFAOYSA-N	302.338	1.083	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)nc(N)n1	828371616	LXNXCJVKZLPSDE-KTCHWWJWSA-N	311.389	1.204	50	20	DDGD	
Cn1c(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)nnc1C1CC1	490971695	JEOSKFYXZSVYFU-JYRVWZFOSA-N	323.356	1.621	50	20	DDGD	
C[C@@H](CNC(=O)/C(C#N)=C/c1ccc(O)cc1)Cn1cccn1	491163119	VMKIJFZFXSDYRI-NCPSJORJSA-N	310.357	1.948	50	20	DDGD	
Cc1ccncc1/C=C\C(=O)NNC(=O)NCc1ccco1	492505138	SXXZBBLNVIVEOF-PLNGDYQASA-N	300.318	1.527	50	20	DDGD	
O=C(/C=C/c1ccccc1-c1nn[nH]n1)NNc1ccccn1	826402324	RABRVBYGAZEFQW-CMDGGOBGSA-N	307.317	1.418	50	20	DDGD	
CC[C@@H](CNC(=O)c1cccc(B(O)O)c1)CC(F)(F)F	585002160	OVUPAXRLTYNWIY-SECBINFHSA-N	303.089	1.075	50	20	DDGD	
COC[C@@H](NC(=O)NNc1ncccn1)c1cccc(OC)c1	821231308	GQLKCRWOYFBOEI-CYBMUJFWSA-N	317.349	1.499	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)/C=C\[C@H]2CCOC2)c(F)c1	493594790	HLDZFQWHELXPET-ODTOEKCJSA-N	308.309	1.648	50	20	DDGD	
COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)NNC(=O)CC(C)(C)C)C2	497091708	UANIZSUEPKSKLW-TUAOUCFPSA-N	323.393	1.213	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1nc(CCC(=O)OC)cs1	494554247	JPARELPQMBQBCN-UHFFFAOYSA-N	316.339	1.031	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCN(C2CC2)c2ccccc21	828992302	SSLILSNQAFOLQK-UHFFFAOYSA-N	316.405	1.279	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCCc3ccc(F)cc32)c(F)c1	585039177	OUPHAMKMLOVCGR-QGZVFWFLSA-N	317.144	1.812	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCOc1ccc(F)cc1Cl	823971365	SQHZEMHMXKVYAI-SECBINFHSA-N	304.749	1.592	50	20	DDGD	
CC[C@@H](C)c1nc(C)c(CC(=O)NN(CC)CCO)c(C)n1	823893463	KBNPQPFJQQLNHV-LLVKDONJSA-N	308.426	1.495	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CNC(=O)N2CCCC2)c1	901169083	PBEHIQVLPUZYMA-UHFFFAOYSA-N	310.329	1.083	50	20	DDGD	
Cc1cc(Br)cc2cc(C(=O)NCB(O)O)oc12	585063161	VELMSHKEXISJQQ-UHFFFAOYSA-N	311.928	1.246	50	20	DDGD	
CCN(CCO)NC(=O)CCCOc1cccc(C(C)=O)c1	823853009	WVQNBNGSAMWQHP-UHFFFAOYSA-N	308.378	1.394	50	20	DDGD	
CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)NN(C)C(N)=O	494742911	SOQKQPBKZNXCBT-UHFFFAOYSA-N	316.402	1.359	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1	585018138	QUUHDUWMUMZPNW-CMPLNLGQSA-N	319.107	1.716	50	20	DDGD	
COCC(CC(C)C)=NNC(=O)c1cccc(-c2nn[nH]n2)c1	736978003	MUTHYGDZIXHRQC-UHFFFAOYSA-N	316.365	1.645	50	20	DDGD	
CCCCNC(=O)NN=C(C)c1ccc(-c2nn[nH]n2)s1	825291246	PFZHVIFCIWWZRV-UHFFFAOYSA-N	307.383	1.752	50	20	DDGD	
OB(O)c1cccc(CNC[C@@H]2CCC[C@H](C(F)(F)F)C2)c1	585025963	HCPDZSJMCRPNAX-YPMHNXCESA-N	315.144	1.825	50	20	DDGD	
C[C@]1(C(=O)N[C@H]2COc3ccccc3C2=O)C[C@@H]1Br	907146883	NPFXWXPOLLPYIZ-CHIMOYNISA-N	324.174	1.920	50	20	DDGD	
CCOC(=O)CN(C(=O)/C(C#N)=C/c1cnn(C)c1)C1CCC1	491176267	OOYLIAODHIBWRG-NTUHNPAUSA-N	316.361	1.271	50	20	DDGD	
COCCC(=NNC(=O)C(=O)NC(C)C)c1ccc(F)cc1	734745706	APPRMBVLUYIFPZ-UHFFFAOYSA-N	309.341	1.207	50	20	DDGD	
CN([C@H]1CCN(c2ccccc2F)C1=O)S(=O)(=O)CCl	830479982	MHZOZNIRTNOZBJ-NSHDSACASA-N	320.773	1.389	50	20	DDGD	
O=C(NNc1cccc(F)c1F)N[C@H]1C[C@H]2CCCCN2C1=O	838740349	CCZOFEWYUCFJAW-SKDRFNHKSA-N	324.331	1.744	50	20	DDGD	
COc1ccnc(C(=O)NNc2oc(C(C)C)nc2C#N)c1	734811409	HOIWWSGMUKRWHT-UHFFFAOYSA-N	301.306	1.830	50	20	DDGD	
CO[C@@H](CNCc1cccc(B(O)O)c1)c1cccc(Cl)c1	585026666	JLIMHODEUFLHBT-INIZCTEOSA-N	319.597	1.497	50	20	DDGD	
O=C(Cc1coc2c(F)c(F)ccc12)NNC(=O)NCC1CC1	906418068	RVAZKUJQKQSLQJ-UHFFFAOYSA-N	323.299	1.994	50	20	DDGD	
O=C(NCB(O)O)c1cn(Cc2ccccc2)c2ccccc12	585062588	KDCDFHSNOBYXTL-UHFFFAOYSA-N	308.146	1.431	50	20	DDGD	
C[C@H]1CC[C@H](CNC(=O)NNC(=O)c2ccc(C#N)cc2)O1	838744479	KQJYIJOFMVOVRD-GXFFZTMASA-N	302.334	1.070	50	20	DDGD	
Cc1ccc(-c2nc(C(=O)N3CC[C@H](B(O)O)C3)cs2)o1	585078269	XEEMTYDEDNHERD-VIFPVBQESA-N	306.152	1.400	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)c1c(C)[nH]c(C(=O)O)c1C	738373955	QKLYWCUUDJZNDI-UHFFFAOYSA-N	322.346	1.169	50	20	DDGD	
C[C@H](NC(=O)CC1CCCCC1)C(=O)NNC(=O)C1CCC1	732145101	OYLQTEKMQVYTQW-NSHDSACASA-N	309.410	1.409	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)c1n[nH]c2c1CCC2	732303163	WTTLRSQXBCKWHF-UHFFFAOYSA-N	320.374	1.059	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(OCC(=O)O)cc2)nc(C)n1	738462780	XSKBLHWNSLQCGW-UHFFFAOYSA-N	316.317	1.314	50	20	DDGD	
COC1([C@@H](C)NCC(=O)NNC(=O)c2ccc(C)cc2)CCC1	839661688	YRZPTIHKXHKIPW-CYBMUJFWSA-N	319.405	1.303	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@@H]1C(=O)O)c1c(Cl)cccc1Cl	739453460	IQWJQCALPJHIRF-RITPCOANSA-N	317.128	1.475	50	20	DDGD	
Cc1[nH]ccc(=NC(=O)NNC(=O)[C@H]2CCCCO2)c1Cl	836498847	VIWNQKFIMQXCQU-SNVBAGLBSA-N	312.757	1.187	50	20	DDGD	
C[C@]1(C(=O)NCCCCS(C)(=O)=O)C[C@H]1Br	911278473	OJFGBCDRVQUESP-SCZZXKLOSA-N	312.229	1.101	50	20	DDGD	
CCOC(=O)[C@@H](CC(=O)NNc1ccc(F)cc1C)C(C)=O	830798341	WNSDJRYXMMPARM-LBPRGKRZSA-N	310.325	1.736	50	20	DDGD	
CN(C)C(=O)[C@H]1CCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C1	839641485	VADSWJDFOFJPCV-CODCLWSRSA-N	314.345	1.869	50	20	DDGD	
CC(C)Cn1ncc(C(=O)NN(C)C[C@H](C)O)c1C(F)F	910155107	JHBDCRGGWJGXSL-VIFPVBQESA-N	304.341	1.434	50	20	DDGD	
Cc1ccc(-n2c(N(C)C)nc(C=NNC(N)=O)c2Cl)cc1	915934360	ZGQSGLLZWMRARC-UHFFFAOYSA-N	320.784	1.902	50	20	DDGD	
COC[C@](C)(O)C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	748637938	MRLZWMNUIXPETO-LBPRGKRZSA-N	317.267	1.418	50	20	DDGD	
COc1ccc(O[C@H](C)CNC(=O)NNC(=O)C(C)C)cc1	743686558	JQYVAUYCYLTRRN-LLVKDONJSA-N	309.366	1.449	50	20	DDGD	
C[C@H]1CN(C[C@@H](C)C(=O)NN=Cc2cccnc2)C[C@@H](C)O1	916370723	FABPYYGFMSLBMP-MCIONIFRSA-N	304.394	1.277	50	20	DDGD	
CC#CC[C@H](CO)NC(=O)/C(C#N)=C\c1ccc(OCC)cc1	844119296	XDYPJRPFPAUHGQ-UVQBRAAOSA-N	312.369	1.883	50	20	DDGD	
Cc1cccc(C)c1OCCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843648191	WJXCIFGMCLZRCO-ZIAGYGMSSA-N	320.389	1.645	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1ccc2nc(O)[nH]c2c1	842553675	FXAKZBJAHQEXOP-KOLCDFICSA-N	302.334	1.534	50	20	DDGD	
COCCOc1ccc(Cl)cc1C(=O)NNC(=O)C(C)C	748688870	CRZQVTJJJFYFOP-UHFFFAOYSA-N	314.769	1.782	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1nccn1CC(F)(F)F	842557033	PWOHARYRRACGHY-IUCAKERBSA-N	304.272	1.321	50	20	DDGD	
C[C@@H](N)CNC(=O)NNC(=O)Cc1cccc2ccccc12	841986163	SBWMKDNDDDCTDH-LLVKDONJSA-N	300.362	1.060	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=S)NC1(C)CCC1	840721485	UNMPJTWXBLEFLQ-UHFFFAOYSA-N	307.419	1.676	50	20	DDGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1nc[nH]n1	746180524	ZQNFIXMKXKAWQI-UHFFFAOYSA-N	305.685	1.265	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)C2(O)CCCCC2)c1	843870824	PWOSVVJEKPTLDM-UHFFFAOYSA-N	320.393	1.918	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1n[nH]c2cc(C(=O)O)ccc12	842560950	IFSCIUITFFRRFZ-WCBMZHEXSA-N	316.317	1.136	50	20	DDGD	
Cc1cccc(C(=O)NNc2ccnc(N(C)C)n2)c1[N+](=O)[O-]	740117924	OMSSZIDXKNEGEF-UHFFFAOYSA-N	316.321	1.516	50	20	DDGD	
Cc1cc(F)c(C=NNC(=O)CN2CCCC2=O)c(Cl)c1	841611392	UJYVYCUGTOPMIW-UHFFFAOYSA-N	311.744	1.860	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)nc21	845513366	JZHIHAIRKMSFBD-KXUCPTDWSA-N	314.349	1.114	50	20	DDGD	
CC(C)C[C@H](CN)NC(=O)NNC(=O)c1cccc(Cl)c1	841953192	DKYWLHKNUYXUSL-GFCCVEGCSA-N	312.801	1.657	50	20	DDGD	
CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NNC(=O)c1c[nH]nc1C	742648051	XYUQFGHZJWDEIF-OSMZGAPFSA-N	322.409	1.853	50	20	DDGD	
CO[C@@H]1Cc2ccc(NC(=O)NNC(=O)CC3CC3)cc2C1	758056524	MYEZQGZKCAFPLG-CQSZACIVSA-N	303.362	1.753	50	20	DDGD	
Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@]1(C)C[C@H]1Br	857249164	CPWBCBDTNVCNTH-MWLCHTKSSA-N	316.155	1.837	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CC[C@@H](C2OCCO2)C1	927991431	JJMRUKUSRBEGEM-OZYJXZHSSA-N	314.341	1.521	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C1CC1	852598563	XDUAYOLTFLHIOD-FZMZJTMJSA-N	319.361	1.345	50	20	DDGD	
CSSCCNC(=O)NC1CCN([C@H]2CCOC2)CC1	852313869	AEDGTKPNQAMHLJ-LBPRGKRZSA-N	319.496	1.550	50	20	DDGD	
O=C(NC[C@@H]1CCCCS1)NNC(=O)c1ccccc1O	753259665	CHFFMVFMEUDBOH-JTQLQIEISA-N	309.391	1.622	50	20	DDGD	
CCCCNC(=O)NN=Cc1cn(C)nc1-c1cccnc1	920751133	RGTULWJQESWJHQ-UHFFFAOYSA-N	300.366	1.915	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)C(C)(C)C)c1cn(C)nc1C	853409022	HHLSVZSLKKLPJX-UHFFFAOYSA-N	321.425	1.511	50	20	DDGD	
Cc1nn(CC(=O)NNC(=S)NC(C)(C)C)c2ncccc12	929427960	ARXLTMGBHDCQAB-UHFFFAOYSA-N	320.422	1.034	50	20	DDGD	
CNC(=O)c1cccc(NC(=O)NNC(=O)CC(C)(C)C)c1C	755659037	QERLZDZGZUUJSF-UHFFFAOYSA-N	320.393	1.944	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cn(CC)cn2)n1	857152989	LRWCSQHJYVOZEJ-UHFFFAOYSA-N	303.370	1.296	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ncoc1C(F)(F)F	855000076	AVZZSURXBUXTFT-UHFFFAOYSA-N	305.134	1.407	50	20	DDGD	
Cc1ncsc1/C=C\C(=O)NNC(=O)OCC(F)(F)F	856022671	KOTCWVABYBUYTD-IHWYPQMZSA-N	309.269	1.784	50	20	DDGD	
C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)NNC(=O)C1CCCC1	753346067	VCQCPYDYKADPQN-JTQLQIEISA-N	312.414	1.152	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(Br)ccc1F	756514174	YITIKNZYTXTAIB-UHFFFAOYSA-N	320.118	1.387	50	20	DDGD	
C[C@@H](c1ccccc1)[C@@H](O)CNC(=O)NNC(=O)C1CCCC1	852279633	WRNOKXFWTXFDNJ-WFASDCNBSA-N	319.405	1.672	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H](C)Sc2nncn2C)cc1F	856230986	KACJFIUUONMVBD-SECBINFHSA-N	309.370	1.887	50	20	DDGD	
COC(=O)C12CC(C(=O)NC[C@]3(C)C[C@H]3Br)(C1)C2	857385522	ISMFVSURBRYUPH-HUIGSWSFSA-N	316.195	1.619	50	20	DDGD	
O=S(=O)(N[C@H]1C[C@H](CO)C1)c1ccc(CCCCl)cc1	922065525	INCFKXYGGUHOQW-JOCQHMNTSA-N	317.838	1.907	50	20	DDGD	
NC(=O)[C@@H](Cc1ccccc1)NNC(=O)Cc1ccc(F)cc1	758137799	FIZGRRSDAPVZIY-OAHLLOKOSA-N	315.348	1.086	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(CC#N)cc2)c(O)c1	759770647	HSAXFLNNFHDTKI-UHFFFAOYSA-N	309.325	1.842	50	20	DDGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1ccc[n+]([O-])c1	754468987	BOBPPFMVXGOQAY-UHFFFAOYSA-N	307.313	1.534	50	20	DDGD	
CCC(CC)(C(=O)NNC(=O)NC)c1ccc(OC)c(OC)c1	759575194	OTFMZKQTMJPCIT-UHFFFAOYSA-N	323.393	1.722	50	20	DDGD	
C[C@]1(CNC(=O)NCCOCC(F)F)C[C@H]1Br	856851116	AVYJBYGALNWLJL-GMSGAONNSA-N	315.158	1.741	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1ccc(O)cc1O	920374677	HWSSXSUPMYTAEU-UHFFFAOYSA-N	300.314	1.799	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@H](C)C2CC2)cc1OC	920051083	MNAYWJVSSJMDGH-JTQLQIEISA-N	321.377	1.694	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cc(F)cc2nc[nH]c12)C1CC1	855102941	OPOOABLVHFSTEI-ZETCQYMHSA-N	321.381	1.609	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCSC[C@@H](C)C1	753837252	JPRLGMLUMZIVHD-NWDGAFQWSA-N	301.456	1.253	50	20	DDGD	
CC[C@@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(OC)c(OC)c2)O1	756901236	LEUJYYINFKHVPK-YPMHNXCESA-N	322.361	1.422	50	20	DDGD	
O=C(Cc1ccc2c(c1)COC2)NNC(=O)OCC(F)(F)F	856022923	QNIFTQNKRYLGJN-UHFFFAOYSA-N	318.251	1.579	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N[C@@H](c1ccncc1)C1CC1	934697320	WNEVAZXVXIYWQI-BLLLJJGKSA-N	318.421	1.704	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cccc(CN2CCOC2=O)c1	755827756	MRDUDXVCCTXPNU-UHFFFAOYSA-N	306.322	1.202	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2sc(Cl)nc2Cl)cn1	755731466	SNFXVKOUEIYOBL-UHFFFAOYSA-N	304.162	1.947	50	20	DDGD	
CC(C)[C@H](O)C(=O)NNc1cc(C#N)ccc1Br	855618274	YZXGNVVBRAWXGR-NSHDSACASA-N	312.167	1.781	50	20	DDGD	
COCC(=O)NN=Cc1ccc(OCC(F)(F)F)c(F)c1	758124821	QBIUDWOFSCHWTG-UHFFFAOYSA-N	308.231	1.863	50	20	DDGD	
COCCc1noc(CN(C)NC(=O)OCc2ccccc2)n1	859388538	VPXCYRYDFALUAZ-UHFFFAOYSA-N	320.349	1.532	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@H](c1ncc(C)s1)C1CC1	754413171	FMBZWTXCUDVUBG-SKDRFNHKSA-N	310.423	1.438	50	20	DDGD	
N#CCOc1cccc(NC(=O)NNC(=O)C2CCCC2)c1	755933176	PEOISUOVMBBCSA-UHFFFAOYSA-N	302.334	1.932	50	20	DDGD	
CC[C@]1(C(=O)NC[C@@]2(C)C[C@H]2Br)CCNC1=O	869357370	QMRZLGVDQJRWQA-FXAINCCUSA-N	303.200	1.192	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	767046337	WYWHLDSZCDXCIY-UHFFFAOYSA-N	304.346	1.514	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(-c2cc[nH]n2)s1	761731638	SYYUJNGKRZZCPE-UHFFFAOYSA-N	316.346	1.245	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)COC(F)(F)F)c1	935699353	XDLRCIGYCXPHCG-UHFFFAOYSA-N	320.271	1.760	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNc2nc(O)c3ccccc3n2)[C@H]1C	863895827	WSRNRAOZDUCBTI-QISWUMQESA-N	316.361	1.838	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cnn(C3CC3)c2)c1	860683366	WJHURPYODYJANH-UHFFFAOYSA-N	300.318	1.762	50	20	DDGD	
C/C(=C\C1CCC(C)CC1)C(=O)NNC(=O)N1CCOCC1	865046652	MPJJNIGWSCLVEO-ACCUITESSA-N	309.410	1.832	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C1C[C@H](C)N(C)C1	761802020	RTUDQUMFFOPRLF-LBPRGKRZSA-N	305.378	1.660	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNC(=O)C2CCCC2)cnc1Cl	764067918	CIXHQJXXAPHNHF-UHFFFAOYSA-N	324.768	1.320	50	20	DDGD	
COCCOc1ccc(C(=O)NNc2ncc(F)cn2)cc1	760908312	KPPNFTBHNSKZRF-UHFFFAOYSA-N	306.297	1.398	50	20	DDGD	
CSC[C@@](C)(O)CNS(=O)(=O)CC(C)(C)CCl	866850483	BBIHZWFKLCWFOW-JTQLQIEISA-N	303.877	1.285	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1	765868156	ZWEBMXGONRHRFQ-LBPRGKRZSA-N	322.365	1.856	50	20	DDGD	
Cc1cc(=NNC(=O)Nc2ccc(OC3COC3)cc2)cc[nH]1	860985887	JURPBVHZCVJJMW-UHFFFAOYSA-N	314.345	1.738	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H](C)NC(=O)CC2CCCCC2)cc[nH]1	862510723	RABSKAGYGQIMIF-CYBMUJFWSA-N	318.421	1.730	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)N(C)C	764388071	VLNPBJJHBFRDEA-DLUQRMLASA-N	307.438	1.690	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)ncn1	762869926	FOFJTSXJDJJFTF-JTQLQIEISA-N	301.306	1.940	50	20	DDGD	
CCC[C@](C)(NS(=O)(=O)CC(C)(C)CCl)C(=O)OC	866467196	ZMHSEGRFXBUKMZ-LBPRGKRZSA-N	313.847	1.903	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	866861549	QZVRIJDYJPZUEY-HBNTYKKESA-N	309.859	1.984	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=C2C[C@H](C)N(C)C2)o1	761812765	RHNQDGDJMJKDEN-LBPRGKRZSA-N	306.410	1.931	50	20	DDGD	
O=C(CCO)NN=Cc1c(-c2ccccc2)nc2sccn12	1116205201	NAOXZWTUDVXHAG-UHFFFAOYSA-N	314.370	1.895	50	20	DDGD	
C[N+](C)(C)CC(=O)NN=Cc1cc(Cl)c2c(c1)OCCO2	1115815198	OHHATLVBJUBGKG-UHFFFAOYSA-O	312.777	1.268	50	20	DDGD	
CN=[S@](C)(=O)c1cccc(NC(=O)NNC(=O)C2CC2)c1	879837969	UZVQELQZAUBZCO-OAQYLSRUSA-N	310.379	1.336	50	20	DDGD	
O=C(COc1cccnc1)NNc1cncc(Br)c1	1116390227	ZMKAREGFOHGFEB-UHFFFAOYSA-N	323.150	1.761	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2nc3ccccc3cc2C)CCC1	777481932	ZBJOTDROWPMVGW-UHFFFAOYSA-N	312.373	1.903	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1cc(Br)ncc1C	879279819	OZQUMUCJLNVTLH-UHFFFAOYSA-N	317.143	1.887	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCCCO2)c(C)n1C1CC1	1117821243	QIPMQFJHSGPTAZ-CQSZACIVSA-N	305.378	1.770	50	20	DDGD	
CCNc1ncc(C(=O)NNc2ccnc(N(C)C)n2)s1	771022725	NBEUWKOZUCAJAO-UHFFFAOYSA-N	307.383	1.188	50	20	DDGD	
CCNC(=O)NNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1	778245000	GXIPWLZJDOESHS-UHFFFAOYSA-N	302.237	1.037	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)C1CCCC1	772168871	UNNMMTKDLHSWNM-NEPJUHHUSA-N	312.410	1.938	50	20	DDGD	
CC(C)[C@](C)(O)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874952861	JXIIPVWIDDLODG-HNNXBMFYSA-N	324.450	1.477	50	20	DDGD	
CCCOC(=O)c1ccc(NC(=O)NN(C)CCOC)cc1	878238365	ZJBRAGMMSMIKNJ-UHFFFAOYSA-N	309.366	1.868	50	20	DDGD	
CC1=C(C(=O)NNC(=S)Nc2ccccn2)C(=O)OC1(C)C	874955989	FMZUDLASUYXSTG-UHFFFAOYSA-N	320.374	1.051	50	20	DDGD	
O=C(NNC(=O)C1(O)Cc2ccccc2C1)c1ccccc1F	1116117287	GICIXKSMXJLMGU-UHFFFAOYSA-N	314.316	1.117	50	20	DDGD	
CCOC(=O)C1(CNC(=O)NNC(=O)c2ccccc2F)CC1	770561126	ZAHJORAPIDPPKF-UHFFFAOYSA-N	323.324	1.113	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2cocc2C)nc1C	1118909415	CIXOXMYGIAUYIJ-UHFFFAOYSA-N	304.306	1.620	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@H]1CCc2cc(O)ccc2C1	775071664	CHLMAFYUMJODGZ-LBPRGKRZSA-N	305.378	1.626	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc(F)cc2OC)n1	775482062	RGHPCXMNQFNVGN-UHFFFAOYSA-N	307.285	1.782	50	20	DDGD	
CN(CC(=O)NNc1c(F)cc(F)cc1F)[C@@H]1CCSC1	885151651	KGTFOZFFHIZAGN-SECBINFHSA-N	319.352	1.984	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccccc1-n1cnnn1	772814412	GEEXDIXFWJMVDR-UHFFFAOYSA-N	324.348	1.333	50	20	DDGD	
CCOc1cccc([C@H](C)NCC(=O)NNC(=O)C2CC2)c1	775215354	UQBUHDVAKFIGMO-NSHDSACASA-N	305.378	1.293	50	20	DDGD	
CCC(=NNC(=O)C(=O)NC(C)C)c1cc(C)ccc1OC	771550932	NKPBDMSBZYPQQI-UHFFFAOYSA-N	305.378	1.759	50	20	DDGD	
CO[C@@]1(C)C[C@H](NC(=O)NNc2ccc(C#N)cn2)C1(C)C	888448415	PQIMUUZTRZTSID-NHYWBVRUSA-N	303.366	1.783	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)CCc1n[nH]c2ccccc12	782228247	XAHSFZZHHZFLMX-UHFFFAOYSA-N	317.349	1.344	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)c2cnn(C)c2)c1	788256202	UUGAEQOINAQVLT-UHFFFAOYSA-N	302.338	1.271	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C(C)c1coc(C)n1	788955154	SHFJTKNZSOOGHY-UHFFFAOYSA-N	303.318	1.911	50	20	DDGD	
Cc1ccccc1OCCNC(=O)NNC(=O)C1CCOCC1	883169826	FCGDQAHNPZXPDH-UHFFFAOYSA-N	321.377	1.131	50	20	DDGD	
CCS(=O)(=O)c1ccccc1C(=O)NNc1ccnc(F)c1	781365224	CUUOUCKXMKTOEZ-UHFFFAOYSA-N	323.349	1.771	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CO[C@@H](C)C2)c2ccccc2n1	784147585	YJPGIUCKFFJIOC-RYUDHWBXSA-N	313.357	1.729	50	20	DDGD	
C[C@H]1CCCC[C@@H]1C=NNC(=O)CNC(=O)c1cccnc1	783853926	IKTBQSRXHAMXMA-QWHCGFSZSA-N	302.378	1.740	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2)C1CCC1	785411381	MVMBVGXPQUHJAX-DOLQZWNJSA-N	306.284	1.290	50	20	DDGD	
COc1ccc(OC)c([C@H]2C[C@H]2C(=O)NNC(=O)C(C)C)c1	788086520	JPDIJZWZGHESKV-DGCLKSJQSA-N	306.362	1.611	50	20	DDGD	
CN1CCCC[C@@H]1CNC(=O)NC[C@@]1(C)C[C@H]1Br	1121992410	IVXGALWEMARVIG-NQBHXWOUSA-N	318.259	1.943	50	20	DDGD	
C[C@H](NC(=O)NNc1ncncc1Cl)C1=CCN(C)CC1	781017186	RMZXJBVBCNONRN-VIFPVBQESA-N	310.789	1.407	50	20	DDGD	
C[C@@H](C(=O)NNC(=S)NC(C)(C)C)C(=O)OC(C)(C)C	899998811	VEQQGBFFLCILOH-QMMMGPOBSA-N	303.428	1.258	50	20	DDGD	
CC(C)Cn1cccc(C(=O)NNC(=O)CC2CCCC2)c1=O	893800616	BAXRQGIAHULDBT-UHFFFAOYSA-N	319.405	1.846	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)O[C@H]2CCN(C)C2=O)c1	782443800	CEZSLYVMYFMMIX-BCNIOPEESA-N	300.314	1.376	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1c[nH]c2cccc(OCC)c12	782670905	BOLJUQIOESWIAT-UHFFFAOYSA-N	304.350	1.459	50	20	DDGD	
Cn1cncc1CC(=O)NNc1nnc(-c2ccccn2)s1	788566414	FVRAXRVJOVJYFK-UHFFFAOYSA-N	315.362	1.019	50	20	DDGD	
O=C(Cc1ccccc1[N+](=O)[O-])NNc1ncncc1Cl	781831530	IWDFSYJWRXWWCE-UHFFFAOYSA-N	307.697	1.724	50	20	DDGD	
COCCCNC(=O)COC(=O)/C(C#N)=C\c1ccccc1	785365033	FCVQZYGKSXAONO-UVTDQMKNSA-N	302.330	1.289	50	20	DDGD	
C[C@@H](C(=O)N1CC=C(C#N)CC1)c1ccc(S(C)(=O)=O)cc1	780686545	BOCJHZONBYEIKE-GFCCVEGCSA-N	318.398	1.876	50	20	DDGD	
COC(=O)c1c(C)[nH]c(C(=O)NNc2ccnc(F)c2)c1C	781361959	BHNIISSVJIZRAB-UHFFFAOYSA-N	306.297	1.709	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cccc(C#N)c2)ccc1O	785409276	HZHUVMVTOSYCOM-UHFFFAOYSA-N	311.297	1.347	50	20	DDGD	
Cc1cnc2c(cnn2CC(=O)NNC(=O)OC(C)(C)C)c1	891772322	LUSLETVCTPTDJD-UHFFFAOYSA-N	305.338	1.296	50	20	DDGD	
Cc1c[nH]nc1C(=O)NNC(=O)c1cc(-c2ccccc2)on1	799408846	AVVYNJREYZWVOC-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)COc1cccc(C)c1	792799341	PGRQLRXSPAFINW-DOMZBBRYSA-N	308.378	1.582	50	20	DDGD	
CCO[C@@H](C)C(=O)NNC(=O)c1cc(C)nc2ccccc12	799009337	VAIAYLUVFVSLDN-NSHDSACASA-N	301.346	1.729	50	20	DDGD	
COc1cc(NNC(=O)c2cnc3[nH]nnc3c2)ccc1Cl	790199139	ZPBFLESTRXDCON-UHFFFAOYSA-N	318.724	1.772	50	20	DDGD	
COc1ncccc1C(=O)NNc1cccc(F)c1[N+](=O)[O-]	791069029	BSHZQLXXNJXTQY-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)COC(F)F)c1C	794613843	XANBORBOQXSYPX-SNVBAGLBSA-N	316.304	1.457	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)c1cc(C)n(C)n1	799882312	MFHFLJTYEAKIFF-UHFFFAOYSA-N	315.333	1.972	50	20	DDGD	
CSSCCNC(=O)NCCN1CCOCC1(C)C	790730589	AECWDEYZGNQGFG-UHFFFAOYSA-N	307.485	1.408	50	20	DDGD	
COC(=O)/C(C#N)=C/c1ccc(N2CCN(C)CC2)c(F)c1	1317910061	IAQHHIQIWCEFRT-UKTHLTGXSA-N	303.337	1.657	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1c(C)[nH]c2ccc(OC)cc12	1319939575	LQHUKSFKEQICKD-UHFFFAOYSA-N	304.350	1.791	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cn3c(C)cccc3n2)c(O)c1	1317918973	NZOKEXUBMLKMLM-UHFFFAOYSA-N	324.340	1.732	50	20	DDGD	
C[C@]1(CNC(=O)C(=O)NC2CCCC2)C[C@@H]1Br	1328589552	CBJQKIYHEWMCIY-JOYOIKCWSA-N	303.200	1.335	50	20	DDGD	
Cn1c(Cl)cnc1C=NNC(=O)c1n[nH]c2c1CCCC2	1321179404	CMRCFLUFHRMXJG-UHFFFAOYSA-N	306.757	1.439	50	20	DDGD	
O=C(NNC(=O)[C@H]1Cc2ccccc21)c1n[nH]c2c1CCCC2	1329555083	HASYGQQSHMBHNM-ZDUSSCGKSA-N	310.357	1.389	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)C(=O)Nc1cnns1	1321127990	OBFNDSKAXASRKE-UHFFFAOYSA-N	314.330	1.168	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1c[nH]nc1-c1ccccc1F	1323703634	FOSBQSVKJXYOSV-UHFFFAOYSA-N	321.381	1.733	50	20	DDGD	
COc1cccc([C@@H](OC)C(=O)NNC(=S)NC(C)C)c1	1327754150	GAPSHRAWJSIQFJ-GFCCVEGCSA-N	311.407	1.286	50	20	DDGD	
COC(=O)CN(C)CCNC(=O)[C@H](Br)C(C)(C)C	1320570862	XTHHSDDZRDPVLS-JTQLQIEISA-N	323.231	1.017	50	20	DDGD	
C[C@H]1CCc2ccccc2N1CCNS(=O)(=O)CCl	1330598010	IKPNHZCWVYRQOM-NSHDSACASA-N	302.827	1.943	50	20	DDGD	
N#CCc1ccc(S(=O)(=O)NNC(=O)C2CCCC2)cc1	1330731745	PUAKZACWAWCOLS-UHFFFAOYSA-N	307.375	1.252	50	20	DDGD	
CCn1nc(C(C)C)cc1C(=O)NNC(=S)N[C@@H](C)C1CC1	1330879472	MGADXBOUNYOPFK-JTQLQIEISA-N	323.466	1.934	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ncoc1[C@@H]1CCCO1	1334747004	LVARGGPGMDYULR-QMMMGPOBSA-N	312.395	1.434	50	20	DDGD	
O=C(NCC[C@@H]1C[C@H]2CC[C@H]1C2)NNC(=O)C1CCNCC1	1331451693	FBDKXDLNTMFNTB-FPMFFAJLSA-N	308.426	1.143	50	20	DDGD	
CN(CC(=O)OC[C@@]1(C)C[C@H]1Br)C(=O)C1CC1	1344034328	FSMTZQGDSABCOD-BXKDBHETSA-N	304.184	1.572	50	20	DDGD	
C[C@]1(COC(=O)C[C@H]2CCCC(=O)N2)C[C@H]1Br	1345265081	IRFXYRAILSGHML-KBVBSXBZSA-N	304.184	1.762	50	20	DDGD	
Cc1cnc([C@H](C)NC(=O)NNC(=O)C2CCOCC2)s1	1262032121	KWQYQNJAYAUGKC-VIFPVBQESA-N	312.395	1.270	50	20	DDGD	
COCCN(C)NC(=O)c1cc2c(nc1O)CCC(C)(C)C2	1349810940	GVQRTVLCAIJBGC-UHFFFAOYSA-N	307.394	1.525	50	20	DDGD	
Cc1cc2cc(NCc3ccccc3B(O)O)ccc2n(C)c1=O	1349586838	RYMWTWGZMABTSS-UHFFFAOYSA-N	322.173	1.139	50	20	DDGD	
COc1ccc(NNC(=O)NCc2cc(C3CC3)n(C)n2)nc1	1344575941	OCWBFNUEWLFYAN-UHFFFAOYSA-N	316.365	1.527	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1oc(C2CC2)nc1C(F)F	1351731013	ISFGKMISSAJSRE-UHFFFAOYSA-N	302.281	1.796	50	20	DDGD	
O=C(NCC1CC2(C1)OCCO2)NNc1cccc(Cl)n1	1354558569	PCGGHXMJFSOJFP-UHFFFAOYSA-N	312.757	1.514	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2ccc3nonc3c2)cc1	1602129222	UVMUFCSDBVBJEO-UHFFFAOYSA-N	312.285	1.607	50	20	DDGD	
Cn1cc(C(=O)NN=C2CCC[C@H](CCCC(=O)O)C2)nn1	1600930649	JLHDVGHRQZRARR-SNVBAGLBSA-N	307.354	1.346	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)[C@]12CCC[C@H]1OCC2	1602231359	ZCLUALHSAXKMMB-ABAIWWIYSA-N	308.309	1.926	50	20	DDGD	
O=C(NNc1cc(F)cc(F)c1F)c1cc(-c2nn[nH]n2)c[nH]1	1606853592	SCCXVSJJVAJVTN-UHFFFAOYSA-N	323.238	1.369	50	20	DDGD	
COc1nn(C)cc1C(=O)NNc1cccc(F)c1C(=O)O	1607362268	IHIRAJNOGWYMHP-UHFFFAOYSA-N	308.269	1.023	50	20	DDGD	
C[C@H](C(=O)NNc1ccccc1C(=O)O)C(=O)OC(C)(C)C	1603173501	NUHFWVOMRCQLDK-SECBINFHSA-N	308.334	1.806	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(-c2nn[nH]n2)cc1C1CC1	1604950488	CECGLZLPDINNSO-UHFFFAOYSA-N	317.309	1.137	50	20	DDGD	
CC1=NO[C@@H](CNC(=O)NNc2ccc(C(=O)O)cc2F)C1	1604618730	RYNGWGDONOEMEI-SECBINFHSA-N	310.285	1.315	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2ccc(C(=O)O)cn2)c1	1608197102	QJKAYOQBIJHJPI-UHFFFAOYSA-N	317.692	1.457	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)Nc1ccnc(F)c1F	1605820771	CYNCFCKBBCSVSY-UHFFFAOYSA-N	309.232	1.602	50	20	DDGD	
COCC(C)(C)CNC(=O)NNc1ccc(C(=O)O)cc1F	1606778332	CZWJELJBSFTRIC-UHFFFAOYSA-N	313.329	1.823	50	20	DDGD	
O=C(NCc1ccc(-c2nn[nH]n2)cn1)C1CCC(Cl)CC1	1606825812	JXCPVAVVXRVDMD-UHFFFAOYSA-N	320.784	1.676	50	20	DDGD	
O=C(NCc1ccccc1)NNC(=O)[C@H]1CCC[C@@H](C(=O)O)C1	1601542135	BQDKTYKKNLLYTC-QWHCGFSZSA-N	319.361	1.408	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cc(F)cc3nc[nH]c23)nc1	1608904159	KEDKVHRHAREXIW-UHFFFAOYSA-N	315.264	1.552	50	20	DDGD	
O=C(NNc1ncccc1C(=O)O)c1ccc(-c2cnc[nH]2)cc1	1605821171	VFEXLXBHLAEALW-UHFFFAOYSA-N	323.312	1.927	50	20	DDGD	
CC1(C)OC[C@H]2C[C@]21C(=O)NNc1ccc(C(=O)O)c(F)c1	1604561071	YVMMICSHXKZGCZ-ANRSDYALSA-N	308.309	1.782	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)CC2CC2)ccc(F)c1C(=O)O	1600045128	YPOFNXAOMAIVGO-UHFFFAOYSA-N	309.297	1.785	50	20	DDGD	
Cc1cccnc1C(=O)NN=C1CCCn2nc(C(=O)O)cc21	1600589608	AVLDKGWCHQCAGL-UHFFFAOYSA-N	313.317	1.213	50	20	DDGD	
O=C(O)Cc1ccc(NC(=O)NNC(=O)c2ccoc2)cc1	1610793089	HPGGDYYQFFTZJH-UHFFFAOYSA-N	303.274	1.373	50	20	DDGD	
N#Cc1ccc(C2(C(=O)NNc3ccc(C(=O)O)cn3)CC2)cc1	1610627469	IHCLXHNMPYJAEE-UHFFFAOYSA-N	322.324	1.826	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)O	1801952541	MJPGZBRWPNWIAI-IEECTRCBSA-N	316.829	1.413	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@@H]1C=NNC(=O)c1c[nH]nc1C	1552761398	UQYYFXCWOYMOAX-DGCLKSJQSA-N	316.365	1.428	50	20	DDGD	
C[C@@H]1C[C@@H](N)CN1S(=O)(=O)c1ccc(CCCl)cc1	1576612338	RMJYAIBOFWIJIG-ZYHUDNBSSA-N	302.827	1.578	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cc(CN)n(C)c1C	1579788633	PIFWXESBQOQUEX-UHFFFAOYSA-N	300.362	1.175	50	20	DDGD	
N#Cc1ccc(NNC(=O)NCc2ccc3c(c2)CNC3)nc1	1580070304	TYYIHIOBJPQTAY-UHFFFAOYSA-N	308.345	1.383	50	20	DDGD	
O=C(NNc1ccccc1Cl)C1=NO[C@@]2(CCCNC2)C1	1580739374	FCFBLJSTSWYYRD-AWEZNQCLSA-N	308.769	1.682	50	20	DDGD	
CC(=NNC(=O)c1cccc(C)n1)c1ccccc1-c1nn[nH]n1	1588776644	ZGPWOWBWDJHAHX-UHFFFAOYSA-N	321.344	1.724	50	20	DDGD	
N[C@H]1CC[C@@H](C(=O)NNc2ccnc(Br)c2)CC1	1580414992	HRSCUQQSGYMWMY-DTORHVGOSA-N	313.199	1.805	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)ccc1F	1591930051	MPSDGRJWXNHBDD-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
CN(C(=O)/C(C#N)=C/c1cnn(C)c1)[C@@H](C(=O)O)c1ccccc1	1597990468	NQUJPVSALIEAHH-UJMHRVFCSA-N	324.340	1.611	50	20	DDGD	
CCc1cc(CNC(=O)NNc2cccc(C(=O)O)c2C)n[nH]1	1597478216	HVHACJLJFJOILJ-UHFFFAOYSA-N	317.349	1.805	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)CC2(O)CCC2)C1	1846732200	JLJWLUKVQVTPBW-NSHDSACASA-N	318.776	1.029	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)COC(C)C)C1	1841128829	KULRRLQNJBZDCK-LBPRGKRZSA-N	316.829	1.632	50	20	DDGD	
C[C@@]1(C(=O)Nc2nc(CC(=O)O)cs2)C[C@@H]1Br	1593761203	BLTZSVCLVDSJAU-QUBYGPBYSA-N	319.180	1.882	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](C(=O)O)C(C)C)c1F	1593899246	WGXDPMMPBIBPKL-SNVBAGLBSA-N	312.297	1.412	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ncccc1Cl	1593165546	QBSKXWXJBJPHTO-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
C[C@H](NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1CC2)C(F)(F)F	1593318231	DAORHRIMLJBDTJ-WLRJLXCNSA-N	306.284	1.471	50	20	DDGD	
CNC(=O)NN=Cc1cc(C(=O)O)ccc1Br	1776038728	APYQGSMLPDXDJD-UHFFFAOYSA-N	300.112	1.410	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(C(=O)O)c(OC)c1	1776039492	DDOGKSWPUCZSFM-UHFFFAOYSA-N	309.322	1.063	50	20	DDGD	
C/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cl)CC	1799269530	CCXCXQWIHDJYQM-DICOSTHXSA-N	314.813	1.170	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)Cc2ccoc2)c1	161626409	JTIKRMLNZDBYDD-UHFFFAOYSA-N	303.318	1.090	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)c1cc[nH]c1	151268080	GWXDAGZGWPBQDA-UHFFFAOYSA-N	313.292	1.619	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H](C)NC(=O)c2ccoc2)c1	157552228	VDFSWCMZLHDEHS-SECBINFHSA-N	321.308	1.689	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCn2ccnc2C1)c1c[nH]c2ccccc12	155871024	SVDWRPSSHFPXEC-LLVKDONJSA-N	323.356	1.388	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2ccc(C)nc2)n1	155894275	PBWPYLOPUAHRHH-UHFFFAOYSA-N	300.366	1.783	50	20	DDGD	
CC(C)n1nccc1C(=O)NNC(=O)CCc1ccccc1	159142966	HWPUIEVZNJFIGI-UHFFFAOYSA-N	300.362	1.858	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)C1(O)CCCCC1	862287421	NSVYRDRAYUVARN-UHFFFAOYSA-N	306.362	1.981	50	20	DDGD	
CC(C)NC(=O)CN(C)/C(=C/C#N)c1cccc([N+](=O)[O-])c1	7795089	NQOSXWRBENUOLO-VGOFMYFVSA-N	302.334	1.916	50	20	DDGD	
CC(C)CO[C@@H]1CCN(S(=O)(=O)CBr)C1	782472894	XBNNVDWFKUZNGC-SECBINFHSA-N	300.218	1.416	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)CCCOc1ccccc1	109829931	YRYMPXSUHIYSGG-CYBMUJFWSA-N	307.394	1.333	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CCc2nc(C(C)C)no2)o1	175832324	DTDCMHLNKYYIDA-UHFFFAOYSA-N	306.322	1.488	50	20	DDGD	
Cc1cc(NNC(=O)c2cnn(Cc3ccccc3)c2)ncn1	172276591	XZEKLYLUIXXXIK-UHFFFAOYSA-N	308.345	1.787	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)NC(=O)c2cccs2)ncn1	172283173	GHVUHYGDPKXANN-VIFPVBQESA-N	305.363	1.108	50	20	DDGD	
C[C@@H](OCc1ccccc1)C(=O)NNC(=O)Cc1cccnc1	103423454	NVKAOOAKWGOQRC-CYBMUJFWSA-N	313.357	1.377	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc(OC(F)(F)F)cc1	65197802	KNVRGOKVPRCHRV-UHFFFAOYSA-N	317.267	1.939	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNC(=O)Nc1ccccc1C)C(C)C	66653469	ROLFAQNHUUYGHY-LBPRGKRZSA-N	322.365	1.528	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cnc(-c2ccco2)s1	170904952	BAGJSKYNPYADKK-UHFFFAOYSA-N	308.388	1.698	50	20	DDGD	
O=C(NNc1ccccc1)c1ccc2c(=O)[nH]c(S)nc2c1	111550701	RBDLNTROQWZJEC-UHFFFAOYSA-N	312.354	1.969	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)c1cncc(O)c1	111611539	PRYCEAGSYKYBOG-UHFFFAOYSA-N	310.313	1.203	50	20	DDGD	
CCOCC(=O)NNC(=O)c1ccc(COc2ccccc2)o1	23979100	QMVJPFFHRBNGGA-UHFFFAOYSA-N	318.329	1.656	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNC(=O)CNc1ccccc1OC	68541616	AGHCOODPXCKBJA-GFCCVEGCSA-N	323.393	1.460	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)n1	26190836	WUQFEOZRYKYQJA-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
CN([C@@H]1CCNC1)S(=O)(=O)c1ccc(CCCCl)cc1	178944177	YTQYFBCZESJUCR-CYBMUJFWSA-N	316.854	1.840	50	20	DDGD	
O=C(CCNc1ccccc1[N+](=O)[O-])NNc1cnccn1	114877580	AWXWAHIOYJCLKF-UHFFFAOYSA-N	302.294	1.330	50	20	DDGD	
CO[C@]1(C)C[C@H](NC(=O)NNc2cncc(Cl)n2)C1(C)C	173717380	WEQKDXFLLBCOBE-ISVAXAHUSA-N	313.789	1.960	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(C)nc2c1cnn2C(C)C	121923085	ZBJWVLWMCGWTGM-UHFFFAOYSA-N	305.338	1.712	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)CCO)cccc1C(F)(F)F	126541985	MQWQXQOECWICII-UHFFFAOYSA-N	305.256	1.549	50	20	DDGD	
Cn1cc(NC(=O)C(=O)NNc2cccc3c2CCCC3)cn1	189218641	YYQCHWWQAYJHBN-UHFFFAOYSA-N	313.361	1.381	50	20	DDGD	
O=C(/C=C/c1ccc[nH]1)NNC(=O)c1cc(-c2ccccc2)n[nH]1	189536975	BEAVFFRZIMPKTJ-CMDGGOBGSA-N	321.340	1.879	50	20	DDGD	
O=C(CC[C@H]1CCOC1)NNc1nnc(-c2ccccn2)s1	188179465	VUMFHIOMTQKYQW-JTQLQIEISA-N	319.390	1.860	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1ccc(O)c([N+](=O)[O-])c1	213136753	BESRCKPLYFCIKH-XFFZJAGNSA-N	305.290	1.360	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCC[C@@H]2CCO)s1	188380375	UXIKPYPXDAPIEV-GHMZBOCLSA-N	311.407	1.552	50	20	DDGD	
Cc1ccc(NNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1	121854830	PNIFIWPGASNARM-UHFFFAOYSA-N	311.407	1.110	50	20	DDGD	
CC[C@@H](C)[C@@H](C)C(=O)NNC(=O)COc1ccccc1OC	183506912	LPURMZIQTRHDLC-VXGBXAGGSA-N	308.378	1.904	50	20	DDGD	
COc1ccc([N+](=O)[O-])c(C(=O)NNc2ccnc(F)c2)c1	182520300	ILQVEUGQDVRNLJ-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
CCCCn1cc(C(=O)NNC(=O)Cc2ccncc2)c(C)n1	184945883	MQEZUJBVKMJOOD-UHFFFAOYSA-N	315.377	1.390	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc(-n2ccnc2)nc1	73905210	UPGFHQYVVQEZHF-UHFFFAOYSA-N	303.322	1.437	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(N2CCCC2=O)ccc1Cl	89759139	FZEZHZIZSZGQIL-UHFFFAOYSA-N	310.741	1.041	50	20	DDGD	
CC(C)CCc1ccc(S(=O)(=O)NNC(=O)N(C)C)cc1	194856312	NSKRVMFVRCRJAF-UHFFFAOYSA-N	313.423	1.740	50	20	DDGD	
Cc1nnc(NC(=O)NNC(=O)Cc2ccc(F)cc2)s1	194264862	JTGDDRKMQPHNSN-UHFFFAOYSA-N	309.326	1.381	50	20	DDGD	
CO[C@H](C)CS(=O)(=O)NNC(=O)c1ccc(Cl)cc1F	193332796	BTKMGZBHDYGUDY-SSDOTTSWSA-N	324.761	1.078	50	20	DDGD	
O=C(NNC(=O)c1cc(F)cc2nccnc12)c1cccnc1	193593797	QTZWCOONOOPQCH-UHFFFAOYSA-N	311.276	1.239	50	20	DDGD	
CC(=O)NNC(=O)c1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1	193005640	AWQQJFXVJKPQRJ-RYUDHWBXSA-N	305.378	1.077	50	20	DDGD	
Cc1ccc(NCCCNC(=O)NNC(=O)c2ccc[nH]2)nc1	193855732	PRYXSZIIBCDADZ-UHFFFAOYSA-N	316.365	1.164	50	20	DDGD	
O=C(CCNC(=O)NNC(=O)C1CCC1)Nc1ccccc1	265114113	XOPBUDFGADCJOL-UHFFFAOYSA-N	304.350	1.146	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)N[C@H]2CCC[C@@H]2C)cc1	264466241	ZXJNBLZWLSPPBT-FZMZJTMJSA-N	321.377	1.593	50	20	DDGD	
CC[C@H]1CN(C(=O)NNC(=O)COCc2ccccc2)CCO1	265664055	BTMLFKURIIMAEV-AWEZNQCLSA-N	321.377	1.055	50	20	DDGD	
C=C(CBr)CN(C)Cc1nc(CCOC)no1	279718851	MEAHBCSPSDJIHN-UHFFFAOYSA-N	304.188	1.641	50	20	DDGD	
CCCCc1ccc(NC(=O)C(=O)NNC(=O)C2CCC2)cc1	274028108	CTEZFAAYRVVEOZ-UHFFFAOYSA-N	317.389	1.915	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1c(C)cc(C)cc1OC	277419556	FIBSDCJQCJXAKX-UHFFFAOYSA-N	315.395	1.167	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cnn(C(C)C)c2)c1O	276508430	QWTAGTJTAPTVGV-UHFFFAOYSA-N	318.333	1.253	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CCc1ncc[nH]1	279195249	LXUSXWMEGAZTJM-JTQLQIEISA-N	320.324	1.096	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C2CCC2)cc1[N+](=O)[O-]	272795962	GYFGIOTXCKDSEU-UHFFFAOYSA-N	308.294	1.556	50	20	DDGD	
O=C(/C=C/c1ccc(O)c(O)c1)NNC(=O)NC1CCCCC1	272381661	FPIMATPMNWYGFP-VQHVLOKHSA-N	319.361	1.774	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)Cc2cccnc2)nc1C	272227352	VAWGGCAFIDSYJI-UHFFFAOYSA-N	315.333	1.043	50	20	DDGD	
COC(=O)NC(C)(C)C(=O)NNc1cccc(C(=O)OC)c1	273039834	VGVSDGJQBYXSNO-UHFFFAOYSA-N	309.322	1.051	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1cccc(S(C)(=O)=O)c1)N(C)C	271984888	CIOXASPPROPFQV-ZDUSSCGKSA-N	313.423	1.119	50	20	DDGD	
CC(=O)N[C@H](CC1CCC1)C(=O)NNc1cccc([N+](=O)[O-])c1	279657329	BZALLWPZPNMHNG-CQSZACIVSA-N	320.349	1.733	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H]2OCCc3ccccc32)nn1	370897419	HGQRFJFAQXZXIY-AWEZNQCLSA-N	313.361	1.725	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1cccc(N2CCC2=O)c1	280345892	AQHZVEITBWXKRQ-UHFFFAOYSA-N	302.334	1.376	50	20	DDGD	
CN(NC(=O)N[C@H]1CCO[C@@H]1c1nccn1C)c1ccccc1	287048780	SPGVRUNUIYXZHG-KBPBESRZSA-N	315.377	1.601	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	288332502	FACAQDMVQDGFDP-UHFFFAOYSA-N	308.338	1.392	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C(C)(C)C2CC2)cc1	287186421	RWRMMQRHWZXTJF-UHFFFAOYSA-N	305.378	1.691	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H](NC(N)=O)C(C)(C)C)cc1	282711119	POHPBFKJBQFCCX-LBPRGKRZSA-N	320.393	1.093	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNc1nc2ccccc2c(=O)n1CC	294452684	NILRYEATZZUOEW-CYBMUJFWSA-N	318.377	1.675	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)CN2CCCC2=O)cc1C	291313621	UCTLBBLBCZMFNJ-UHFFFAOYSA-N	319.361	1.237	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@H]1CCCSC1	809950594	TXLHDRNZWXQRMD-GXFFZTMASA-N	322.386	1.117	50	20	DDGD	
COc1ncc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)cn1	802016598	HMDJFEWDKVBFPS-UHFFFAOYSA-N	321.724	1.605	50	20	DDGD	
C=CCC(CC=C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	801108175	DNHJVKPFMQCMQD-UHFFFAOYSA-N	315.373	1.849	50	20	DDGD	
O=C(NCCCc1ccccc1)C(=O)NNc1cccc(F)n1	804772481	IKCYHMNPASRHSS-UHFFFAOYSA-N	316.336	1.413	50	20	DDGD	
COCc1nc(C(=O)NNC(=O)NC2CCCCC2)cs1	299234584	MGXFRSFURXXBAR-UHFFFAOYSA-N	312.395	1.566	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)COc1ccc(C)cc1)C(C)C	298014448	PCPHFKWWAFBCET-AWEZNQCLSA-N	303.362	1.362	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)[C@@H]2CCCCN2C(C)=O)c1	294031376	WPFKSLZRAXBXIW-HNNXBMFYSA-N	318.377	1.489	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)c(O)c1	802027055	PAYPCGHFTMWZJQ-UHFFFAOYSA-N	300.318	1.238	50	20	DDGD	
C/C(=C\c1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	294383960	WSUVTZXRSNAPLD-FARZUVDMSA-N	306.337	1.944	50	20	DDGD	
CC(C)(C)CNC(=O)NNC(=O)c1ccc2c(c1)OCCO2	298752515	WYQGRSCGPGFLQW-UHFFFAOYSA-N	307.350	1.448	50	20	DDGD	
CC[C@H](C)[C@H](CNC(=O)NNC(=O)c1ccccc1F)OC	296680812	BIMYCEUYKUFSSO-GWCFXTLKSA-N	311.357	1.831	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)c2cn(C)cn2)cc1C	291238499	OMFLTLOIQXBZPO-UHFFFAOYSA-N	302.334	1.662	50	20	DDGD	
CC(C)(C)c1n[nH]cc1C(=O)NNC(=O)Cc1ccncc1	293284330	RNJPGBTUMPLQTA-UHFFFAOYSA-N	301.350	1.106	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@](C)(O)CCc2ccccc2)O1	293938904	OXPKTTMIHAETSJ-RVSPLBMKSA-N	320.389	1.085	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1nn(CCCOC)cc1C	297398321	MJDWKGLSERZWOT-SNVBAGLBSA-N	311.386	1.427	50	20	DDGD	
Cc1cc(C)cc(OCCC(=O)NNC(=O)[C@H]2CCCCO2)c1	295720915	KZQLGEBCEQOYGF-OAHLLOKOSA-N	320.389	1.789	50	20	DDGD	
CC(=NNC(=O)Cc1nc2ccccc2n1C)c1cn(C)c(C)n1	800806619	CRNQUJIMJZUYQC-UHFFFAOYSA-N	324.388	1.698	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CCc1ccc(C(N)=O)cc1	294242821	FAPNFTYVOPGFEC-UHFFFAOYSA-N	307.350	1.274	50	20	DDGD	
O=C(COCc1cccnc1)NNC(=O)c1c[nH]c2ccccc12	805156003	DCBNJAIGVKNLDY-UHFFFAOYSA-N	324.340	1.541	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N2CC[C@]3(CCN(C)C3)C2)s1	293072830	UIIWOFANJJAVHU-HNNXBMFYSA-N	322.434	1.439	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)[C@@H]1CCCO1)c1ccccc1	291544314	AMCIFHWSVDBJNO-OCCSQVGLSA-N	305.378	1.690	50	20	DDGD	
C=C(CBr)CN1CCC[C@H](CS(C)(=O)=O)C1	814641131	DRFUHYKTRADKGD-NSHDSACASA-N	310.257	1.694	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)c1cc(F)c[nH]1	816396955	YLGSSBPSRYILDM-UHFFFAOYSA-N	310.716	1.951	50	20	DDGD	
Cc1n[nH]cc1C(=O)NN=Cc1ncc(Br)s1	814852209	OAUVJPYYRFZPGD-UHFFFAOYSA-N	314.168	1.701	50	20	DDGD	
CO[C@](C)(C(=O)NN=c1sc2ccccc2n1C)C1CC1	812446136	OPHYYLDAOOCOQC-HNNXBMFYSA-N	305.403	1.987	50	20	DDGD	
CC(C)C(=O)NN=C1CCS(=O)(=O)c2ccc(Cl)cc21	812430037	DVFTXXVMQONEMM-UHFFFAOYSA-N	314.794	1.994	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1cc(-c2nc[nH]n2)ccc1F	819557081	KODOULCSWDVRMY-YFHOEESVSA-N	301.281	1.993	50	20	DDGD	
O=C(Cc1ccc(NC(=O)C2CC2)cc1)NNC(=O)CC1CC1	819114283	DNYQPAVYOKKBEK-UHFFFAOYSA-N	315.373	1.525	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1cn(-c2ccccc2)nn1	814821407	UYJOQBUXUQTWIB-UHFFFAOYSA-N	314.349	1.033	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1c[nH]nc1-c1ccccn1	811326967	UCKVDWWMWVNCLE-UHFFFAOYSA-N	315.724	1.672	50	20	DDGD	
CCCN(CCC)CCCC(=O)NNC(=O)c1ccnnc1	817693614	NQDCMDOKRYQXFB-UHFFFAOYSA-N	307.398	1.140	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CCCc1ccc2c(c1)OCCCO2	823908015	RUYPDNFURJYLGU-ZDUSSCGKSA-N	322.405	1.514	50	20	DDGD	
CCn1cncc1C=NNC(=O)CCCNC(=O)OC(C)(C)C	497277953	KJJOUBXGYVSHLR-UHFFFAOYSA-N	323.397	1.658	50	20	DDGD	
COC(C)(C)CN(C)C(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	490725053	DCALBJWQWQYCDQ-VGOFMYFVSA-N	314.389	1.996	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NN=c2cc[nH]cc2)C1	496644973	XNRFPPSLQFWSFW-KLPPZKSPSA-N	306.366	1.250	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1cccc(C#N)c1	826113532	CPMGPBGUILBHQP-MJVIPROJSA-N	316.361	1.375	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)Cc1cscn1	825744035	FOSJASRBMBVLAD-UHFFFAOYSA-N	303.387	1.856	50	20	DDGD	
CCOC(=O)N1CSC[C@@H]1C(=O)NNc1cccc(C)n1	827037694	QCBXQKSIOUOEQA-SNVBAGLBSA-N	310.379	1.365	50	20	DDGD	
COC(=O)NCCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	490968657	XRNNHAWHOFDOAC-UHFFFAOYSA-N	323.393	1.096	50	20	DDGD	
CCOC(=O)N1CCC(C(=O)NNc2ncccc2C)CC1	496999258	NKOCEUSBGPHWOW-UHFFFAOYSA-N	306.366	1.702	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)CNc2ccccc2)s1	823328150	KFQPRCOOOIVXBU-UHFFFAOYSA-N	317.370	1.824	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)/C=C/[C@@H]2CCOC2)cc1	493444259	BFYOVGPPNBQFKW-VZUFXWRPSA-N	318.373	1.368	50	20	DDGD	
N#C/C(=C\c1cncnc1)C(=O)c1cccc(-c2nn[nH]n2)c1	826379298	ODXJOSAHJFBFRZ-YIXHJXPBSA-N	303.285	1.447	50	20	DDGD	
COC(=O)NNC(=O)C(=O)Nc1ccccc1C(F)(F)F	495408035	OPWNEPDEIUBQPO-UHFFFAOYSA-N	305.212	1.031	50	20	DDGD	
O=[N+]([O-])c1cnc2c(F)cccc2c1N1CC[C@H](B(O)O)C1	585078715	KCWDBBFDLGJYPT-QMMMGPOBSA-N	305.074	1.335	50	20	DDGD	
COC(=O)COc1ccc(/C=C(\C#N)C(=O)NC(C)C)cc1	490879875	SPLPPRUZQVVZPV-MDWZMJQESA-N	302.330	1.670	50	20	DDGD	
CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)NNC(=O)C(C)C	491076172	LXFWYNKKMQGJIF-HNNXBMFYSA-N	315.414	1.873	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1ccc(C[S@@](C)=O)cc1	490937979	DQLMZOQMUCSTNF-NJAMNNSSSA-N	306.387	1.625	50	20	DDGD	
O=C(O)COCCNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	823329221	PNQOYVYSLJBOCN-YGOYTEALSA-N	320.183	1.158	50	20	DDGD	
Cc1nn(C)c(C)c1CNC(=O)[C@]1(C)C[C@@H]1Br	906843821	HAOMJCCQQQNBJU-CMPLNLGQSA-N	300.200	1.827	50	20	DDGD	
COCCN(C)NC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C1CC1	496079835	GADFLRRPLWOGEF-NSHDSACASA-N	315.414	1.384	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)ncn1	734254402	IAUPSBWGMARKTM-GFCCVEGCSA-N	317.393	1.409	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H]2CNC(=O)C2)c1C	490844739	RDYUDMCKKVNQPV-XIEDVDOYSA-N	314.389	1.427	50	20	DDGD	
C[C@@H](NC(=O)C1CCCC1)C(=O)NNc1ncccc1Cl	734246132	VULGFMILOYBUHG-SECBINFHSA-N	310.785	1.873	50	20	DDGD	
COC[C@]1(CNS(=O)(=O)CCl)OCCc2ccccc21	831576754	JVKCAWWPHGXEMF-ZDUSSCGKSA-N	319.810	1.217	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1cccc(C#N)c1)c1cnn(C)c1	839650351	LIXYGUXTHGTOSC-NSHDSACASA-N	311.345	1.247	50	20	DDGD	
COc1ccc([C@@H](CC(=O)O)NC=C(C#N)C#N)cc1OC	832241390	QLOTYCPWOLNSQJ-GFCCVEGCSA-N	301.302	1.740	50	20	DDGD	
C[C@]1(C(=O)N2CCC3(CC2)OCCO3)C[C@@H]1Br	905880956	NIBWPRKGCWUSPY-ONGXEEELSA-N	304.184	1.525	50	20	DDGD	
CN(Cc1nnc2ccccn12)C(=O)[C@@]1(C)C[C@H]1Br	906480444	ZMSMOZWMZVQQOQ-RNCFNFMXSA-N	323.194	1.861	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H]1CCCC(=O)N1C	906493792	HBUAOJIFEFVFQW-JTQLQIEISA-N	308.290	1.520	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2cnc(C)cc2C)n1	838720961	UJJBPBUNSDZJQR-UHFFFAOYSA-N	302.338	1.323	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2cc(C(=O)O)ccc2C)n[nH]1	832864315	AZLIXGNIOWNYQE-UHFFFAOYSA-N	317.305	1.191	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2ccc3c(c2)C[C@@H](C)O3)n1	901149666	NOFWXPLLASMDFZ-CYBMUJFWSA-N	312.373	1.974	50	20	DDGD	
CC(C)(C)n1nnc(CC(=O)NNc2cc(Cl)ccn2)n1	831794287	IVMRVWDUFQMSBG-UHFFFAOYSA-N	309.761	1.162	50	20	DDGD	
Cc1noc(C)c1[C@@H](C)NC(=O)NNC(=O)Cc1cccnc1	733801797	YFANVMNOUGKDFR-SECBINFHSA-N	317.349	1.321	50	20	DDGD	
O=C(COC(=O)C#CC1CC1)NNC(=O)c1cccc(Cl)c1	838369968	FKCUEDOJGXGHKJ-UHFFFAOYSA-N	320.732	1.058	50	20	DDGD	
CNc1ccc(C(=O)NNc2nccnc2Cl)cc1[N+](=O)[O-]	734259653	AEWARKODVAGYMI-UHFFFAOYSA-N	322.712	1.837	50	20	DDGD	
CC[C@@H](Cc1ccccc1Br)C(=O)NCB(O)O	585057564	VVJQCUMVLOILGG-VIFPVBQESA-N	313.988	1.146	50	20	DDGD	
O=C(NNc1ccccc1)NC1CCN(C[C@@H]2CCCO2)CC1	734280287	JZISOXCIDWNJNM-INIZCTEOSA-N	318.421	1.956	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCC[C@@H]2CCOC2)c1	838715256	SBBANADGERXZLN-GFCCVEGCSA-N	321.377	1.916	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@@H]1CCN(Cc2ccccc2)C1	732442189	LDUGDPQHNAARTB-OAHLLOKOSA-N	316.405	1.391	50	20	DDGD	
C[C@@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1)n1cccn1	736225663	ZTNXNWAGJWLBMA-QMMMGPOBSA-N	305.246	1.656	50	20	DDGD	
CC[C@@H]1[C@@H](C)CCN1CC(=O)NNC(=O)c1ccc(C#N)cc1	839562763	CAUHSTKGLFROQY-SWLSCSKDSA-N	314.389	1.440	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1CNC(=O)NNC(=O)N=c1cc[nH]cc1	837866571	TVKNIJRXADYFIQ-VXGBXAGGSA-N	305.382	1.666	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccc2c(c1)N(C)CC2	831616940	YRQWVPYVSWBQNO-MFKMUULPSA-N	318.377	1.257	50	20	DDGD	
COC(=O)[C@@H](NS(=O)(=O)CCl)c1ccc(C)c(C)c1	831126197	SHNNJRZERVZBQR-NSHDSACASA-N	305.783	1.633	50	20	DDGD	
CO[C@](C)(CNS(=O)(=O)CBr)c1ccccc1	832160714	PZVMBLOAXDQCQF-LLVKDONJSA-N	322.224	1.820	50	20	DDGD	
COc1ccc(Cl)cc1NCCC(=O)NN(C)C[C@@H](C)O	910168624	PKZLDBNDMTYZBG-SNVBAGLBSA-N	315.801	1.494	50	20	DDGD	
COc1ccc(CCCNS(=O)(=O)CCl)cc1OC	830200638	QUDCIUSMTZQFQJ-UHFFFAOYSA-N	307.799	1.752	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@H]2CCCCO2)cnc1Cl	836449809	FDCUKYATKZJYHK-SNVBAGLBSA-N	312.757	1.765	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1ccncc1)C(=O)c1ccccc1	732749351	QMCLMOFUSPIKEC-LBPRGKRZSA-N	311.341	1.752	50	20	DDGD	
COc1ccc(OCCNC(=O)NNC(=O)C2CCCC2)cc1	916213338	BINAATCLIUVMGK-UHFFFAOYSA-N	321.377	1.595	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1nn(C)cc1C)c1ccccc1	839676317	KYAPHWBJIYSLIW-CYBMUJFWSA-N	300.362	1.683	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CC(F)(F)F)cc1[N+](=O)[O-]	918366391	YJMJXFNSLOSFSD-UHFFFAOYSA-N	321.211	1.317	50	20	DDGD	
CC[C@@H]1C[C@H]1CNC(=O)NNc1ccc(-n2ccnc2)nn1	836590271	KZQUBVHVJZMBRE-MNOVXSKESA-N	301.354	1.335	50	20	DDGD	
CCOc1ccc(C(=O)NN=Cc2csnn2)cc1OC	915950194	BQSQSAHPWGSGFD-UHFFFAOYSA-N	306.347	1.709	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H](C)[C@@](C)(OC)C2CC2)nc1	841588779	CMLSFQCEEAUOLN-ZUZCIYMTSA-N	308.382	1.920	50	20	DDGD	
C[C@H]1OC(=O)N[C@H]1C(=O)NNc1cc(Cl)ccc1Cl	841409285	RRYTXQNDSMSJRC-MLUIRONXSA-N	304.133	1.933	50	20	DDGD	
O=C(CCc1nc(-c2nc[nH]n2)no1)NNc1ccccc1F	748056915	BLTRUTSUYIVWBT-UHFFFAOYSA-N	317.284	1.070	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1ccc(C(=O)N(C)C)cc1	842560093	KTSSLVHRSGOYHH-WFASDCNBSA-N	317.389	1.654	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)s1	745475669	HTXMUBQNUKLSIV-QMMMGPOBSA-N	323.349	1.819	50	20	DDGD	
COc1cc(C(C)=NNC(=O)[C@H]2CCO[C@H]2C)cc(OC)c1O	842549229	IHUYUVCVHNPJSN-JQWIXIFHSA-N	322.361	1.675	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCCc2cccnc21	843657374	QTPDSGPCHXYEMW-DRZSPHRISA-N	303.362	1.074	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)COc2ccc(Cl)cc2)c2ncnn21	841607327	VMROJZDTFZPUFG-SECBINFHSA-N	319.752	1.796	50	20	DDGD	
N#Cc1cccc(NNC(=O)C[C@@H]2Oc3ccccc3NC2=O)c1	748034450	SHLAPWQCHOUMGT-HNNXBMFYSA-N	322.324	1.791	50	20	DDGD	
NC(=O)c1cc(C(=O)NNc2ccc(C(F)(F)F)cc2)c[nH]1	747588470	JLPGOQJLJLKIBK-UHFFFAOYSA-N	312.251	1.889	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H](C)CN1C[C@@H](C)C[C@@H](C)C1	919924676	SETXOVGTICRWOV-HZSPNIEDSA-N	312.458	1.729	50	20	DDGD	
O=C(NC[C@@H]1CCCN1)NNC(=O)Nc1ccc(Cl)cc1	841937916	YCRWGJUWWFHLEK-NSHDSACASA-N	311.773	1.428	50	20	DDGD	
COC(=O)Cc1ccccc1CNC(=O)NNC(=O)CC(C)C	847466581	HHNOHYCUZLYJNP-UHFFFAOYSA-N	321.377	1.279	50	20	DDGD	
O=C(NN=C1CN2CCC1CC2)c1cc([N+](=O)[O-])ccc1O	741771425	OPVAZWRPNWNMNL-UHFFFAOYSA-N	304.306	1.112	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=S)NC[C@@H]1CCOC1	749673310	CKHZDZXXARKIPU-NSHDSACASA-N	308.407	1.532	50	20	DDGD	
CC1=C(C(=O)NNC(=O)CCc2ccccc2)C(=O)OC1(C)C	749959416	OBQJIKVZECRKPF-UHFFFAOYSA-N	316.357	1.419	50	20	DDGD	
CCOc1cccc2[nH]cc(CC(=O)NN(C)C[C@@H](C)O)c12	910159056	HFMZWDOUGJBMJO-LLVKDONJSA-N	305.378	1.453	50	20	DDGD	
C=C(CBr)CN1CCC(CO)(NC(C)C)CC1	846935541	GMFNEOVIERRPEI-UHFFFAOYSA-N	305.260	1.762	50	20	DDGD	
C#CCCCCNC(=O)NNc1ccc(CC(=O)OC)cc1	845044944	OEPSFZUUZDVDRH-UHFFFAOYSA-N	303.362	1.832	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(F)cc(Cl)c1O	843978994	LQCHJUOHTVGXQX-POYBYMJQSA-N	316.716	1.371	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@@H](C)Cc1cnc[nH]1	847580682	BALNIQWZWNTZFW-LBPRGKRZSA-N	300.362	1.287	50	20	DDGD	
Cc1cn(-c2ccccc2)nc1NC(=O)NNC(=O)CCCN	841110137	DVFMGNIFQODGFM-UHFFFAOYSA-N	316.365	1.072	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CC[C@@H]2CNC[C@@H]2C1	842016929	ZUYMJSBSQFNLHC-HZSPNIEDSA-N	316.405	1.327	50	20	DDGD	
CCn1ncc(C=NNC(=O)Cn2c(C)nc3ccccc32)n1	841609564	VEHSNMYJQZEWDG-UHFFFAOYSA-N	311.349	1.106	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NC[C@]1(C)CCCNC1	841970180	KERPSLLVKUXYDJ-MRXNPFEDSA-N	304.394	1.329	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1cc(Cl)nc(C2CC2)c1	847452201	KTKBOGLEYRPGLQ-UHFFFAOYSA-N	319.752	1.339	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NC[C@]1(COC)CCCN1	841993041	FKJOAANZCRJEDN-KRWDZBQOSA-N	320.437	1.952	50	20	DDGD	
COCc1nc(C(=O)NC[C@@]2(C)C[C@H]2Br)no1	857250143	SBUOPRAITIUPIM-LHLIQPBNSA-N	304.144	1.119	50	20	DDGD	
CO[C@H]1C[C@H](NC(=O)NNC(=O)Cc2ccc(F)cc2)C1(C)C	753424475	DKRFDQOKTORXJT-STQMWFEESA-N	323.368	1.512	50	20	DDGD	
O=S(=O)(NC[C@H]1C[C@@H](O)C1)c1ccc(CCCCl)cc1	859363159	HQOMLDZZANTTAT-BETUJISGSA-N	317.838	1.907	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCc2nc(C)no2)c1C	855627871	GHWRMQDCHYKCCN-UHFFFAOYSA-N	318.333	1.549	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cn(C)nc2C)c1C	855627731	ZSIJDYLEQHQPIC-UHFFFAOYSA-N	302.334	1.580	50	20	DDGD	
CCOc1ccc(C(=O)NN=Cc2cn(C)nc2C)cc1OC	755564957	FCZRIGNENNYQRO-UHFFFAOYSA-N	316.361	1.900	50	20	DDGD	
O=C1CC[C@@H](CC(=O)OC[C@H](CBr)C2CC2)CN1	859717782	VPHHDABVSAJZFY-ONGXEEELSA-N	318.211	1.867	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)Cc2cc[nH]n2)CCc2ccccc2C1	755287012	STRSYDVJDXQCDZ-QGZVFWFLSA-N	312.373	1.295	50	20	DDGD	
CC(C)(C)n1nnc(C=NNC(=O)c2cccc(Cl)c2)n1	853269060	JBHDBWGFZVKGJV-UHFFFAOYSA-N	306.757	1.845	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNC(=O)CC(F)(F)F)cc1	759771794	HTCGPALXGYHNSG-SECBINFHSA-N	318.295	1.974	50	20	DDGD	
NC(=O)C(=O)NN=C1CCOc2c1ccc(Cl)c2Cl	920358318	ABGLKBJFORESEV-UHFFFAOYSA-N	302.117	1.082	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)COc1cccc(C)c1)C1CC1	851915553	LQELNJUPHRZXTB-CQSZACIVSA-N	305.378	1.893	50	20	DDGD	
C=C[C@H](CC)CC(=O)NNC(=O)Cc1nc2ccccc2n1C	929268830	SBAHOFVNSSKNKX-GFCCVEGCSA-N	314.389	1.866	50	20	DDGD	
CCN1CCC[C@@H](NC(=O)[C@@H](Br)C(C)(C)C)C1=O	928870477	SBCLRCZCJBZRPH-NXEZZACHSA-N	319.243	1.923	50	20	DDGD	
CC(=NNC(=O)OCC(F)(F)F)c1c(C)nc(O)nc1O	853431768	KIRSBWFNBLNNAR-UHFFFAOYSA-N	308.216	1.209	50	20	DDGD	
COC[C@@H]1CCN(C(=O)NC[C@@]2(C)C[C@H]2Br)C1	856753804	XZXUZJZSDHGSJE-CKYFFXLPSA-N	305.216	1.838	50	20	DDGD	
C#CCC[C@H](O)CNC(=O)NC[C@@]1(C)C[C@@H]1Br	856959649	WJUICUFDHVYUGS-JBLDHEPKSA-N	303.200	1.233	50	20	DDGD	
CCNC(=O)NN=C(C)c1cccc(OCC(=O)N(C)C)c1	920825146	NBVNNOVJUNBPEN-UHFFFAOYSA-N	306.366	1.197	50	20	DDGD	
C[C@]1(CNC(=O)NOC2CCOCC2)C[C@H]1Br	856850282	WMJIDWMKFHNOPS-MWLCHTKSSA-N	307.188	1.570	50	20	DDGD	
CCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)NNC(=O)CC)C1(CC)CC	759438065	TUWMPFHMAXFACL-YNEHKIRRSA-N	313.442	1.506	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)c1cccc(C)c1)[C@@H]1CCCO1	754513782	HRNYAVNCDAPUNN-CABCVRRESA-N	319.405	1.303	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2nn[nH]c2-c2ccccc2)n1	755565979	QPQKNZCQMIDDRA-UHFFFAOYSA-N	323.360	1.435	50	20	DDGD	
C[C@]1(CN[C@@H](Cc2ccccc2)C(N)=O)C[C@H]1Br	857247590	YPWGSPCCPFHTCW-OUCADQQQSA-N	311.223	1.846	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	857394784	SYURJXSCDHJTJK-WCFLWFBJSA-N	317.227	1.535	50	20	DDGD	
CNC(=S)N(C)NC(=O)CN(C(=O)OC(C)(C)C)C(C)C	854928516	CBCYYJFJWNVZPS-UHFFFAOYSA-N	318.443	1.099	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1nn(C)c2ccccc12	934438299	NYXARGJPIQDXGD-ZJUUUORDSA-N	317.349	1.151	50	20	DDGD	
Cc1nc(C)c(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)s1	853387862	RDOPKMCEWCYLCY-NEPJUHHUSA-N	308.407	1.073	50	20	DDGD	
CC[C@H](C)Oc1ccc(C(=O)NNc2nnc(C)c(O)n2)cc1	750233809	SXDDWLPASKMMGS-VIFPVBQESA-N	317.349	1.820	50	20	DDGD	
COc1nccnc1NNC(=O)c1cnc([C@@H]2CCCO2)s1	764482280	REJQWYIQDKYHGC-QMMMGPOBSA-N	321.362	1.550	50	20	DDGD	
C[C@@H](NNC(=O)C1(c2ccccc2)CC(=O)C1)C(F)(F)F	862319972	OIUSUYCYIRONSJ-SECBINFHSA-N	300.280	1.859	50	20	DDGD	
CC(C)CC(=O)NNC(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1	762090719	CBSYCKFKZMQDSW-ZDUSSCGKSA-N	324.425	1.154	50	20	DDGD	
O=C(CN1C[C@H]2CCC[C@H]1C2)NNC(=O)c1ccc(F)cc1	934376941	DKIHZCSSXBKAIM-FZMZJTMJSA-N	305.353	1.461	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1	864491139	RUTQMYOFFQGZFY-CHWSQXEVSA-N	319.405	1.717	50	20	DDGD	
CC1(C)[C@]2(C(=O)NNc3ccnc(F)c3)CC[C@@]1(C)C(=O)O2	860694541	IDUIOWYENBMGDA-LSDHHAIUSA-N	307.325	1.786	50	20	DDGD	
COc1ccc2oc(C(=O)N3CC[C@@H](B(O)O)C3)c(C)c2c1	864234149	NQDISXQSHYVAAB-SNVBAGLBSA-N	303.123	1.439	50	20	DDGD	
CCN1CCO[C@H](C(=O)NNc2cccc(F)c2Cl)C1	862510228	YDEUGKXERRBTDM-NSHDSACASA-N	301.749	1.643	50	20	DDGD	
Cc1ccc(C)c(C(=O)CCC(=O)NNC(=O)c2cn[nH]c2)c1	862473753	FBLVFMAWPVZWMP-UHFFFAOYSA-N	314.345	1.451	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)[C@H]1CCC(=O)N1)CCS2	863152972	JZQMVNPDDLCDEU-GFCCVEGCSA-N	319.386	1.290	50	20	DDGD	
CC(C)Sc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1	862452723	NKHPTOCNFQEWAR-GFCCVEGCSA-N	321.402	1.227	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)Cc2ccc3c(c2)CCO3)c1	862475859	ZMLKVAXKQYIIDS-UHFFFAOYSA-N	316.382	1.995	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(C)C[C@H](C)NC(=O)OC(C)(C)C	863684539	GLSNBFDRYCUVIJ-NIANNCQZSA-N	311.382	1.802	50	20	DDGD	
CC1(C)[C@]2(C(=O)NNc3ccc(Cl)nn3)CC[C@@]1(C)C(=O)O2	863878443	FXVSSCUZYBSCIM-UONOGXRCSA-N	324.768	1.695	50	20	DDGD	
CC(C)[C@H](NC=O)C(=O)NNc1cccc(Br)c1	860313697	MLVZPZRHJSTMHR-NSHDSACASA-N	314.183	1.663	50	20	DDGD	
CCOc1cc(NC(=O)C(=O)NNC(=O)C(C)C)ccc1C	763819736	BXGZLZFFSZRYBM-UHFFFAOYSA-N	307.350	1.136	50	20	DDGD	
Cn1nc(C(=O)NNCC(F)(F)C(F)(F)F)cc1Cl	863101759	GSVGPEFGUKOYGZ-UHFFFAOYSA-N	306.622	1.506	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H](OC)C(C)C)cc1	769887133	SLZHDUWORWBCBX-HNNXBMFYSA-N	308.378	1.446	50	20	DDGD	
COc1ccc(C(=O)NNc2cc(C)nc(C)n2)nc1Cl	768711971	LKADPXRINHSVKS-UHFFFAOYSA-N	307.741	1.907	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)CCC1=O	763258140	GETPHKJEDCVJRJ-AAEUAGOBSA-N	317.389	1.519	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@@H](C)CN2C[C@H](C)O[C@H](C)C2)cn1	764901803	YWLYWKCHJMCTIR-AEGPPILISA-N	318.421	1.585	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2c(C)nc3ccccn23)ccc1O	779489004	LMQYRENDYNHRJC-UHFFFAOYSA-N	324.340	1.732	50	20	DDGD	
C[C@H](C1CC1)n1cc(NC(=O)NNC(=O)C2CCOCC2)cn1	879297950	XPKKOXHRSZCSQN-SNVBAGLBSA-N	321.381	1.433	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1	771708952	XOGNQOKECMQKLY-UHFFFAOYSA-N	320.280	1.347	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)COC(C)(C)C)c1	874950009	LRFXJZQQFWTAFU-UHFFFAOYSA-N	305.403	1.801	50	20	DDGD	
Cc1cc(C=NNC(=O)Cc2cc(O)nc(O)n2)ccc1Cl	779773602	ZLSPAJKGOMKJDZ-UHFFFAOYSA-N	320.736	1.542	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCc2cc(F)ccc21	1118773497	MKWDZRAOMNFDOA-DUFXMDAXSA-N	306.337	1.428	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cccc(N(C)C)c1)c1ccccn1	773716547	OOOMEDYVQPPNTG-LBPRGKRZSA-N	312.373	1.712	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@@H](O)Cc1ccccc1Cl	771930062	LMECSGQTKVLTQT-ZDUSSCGKSA-N	321.764	1.043	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(Cl)nc1)[C@H]1CN(C)CCO1	770439116	VQBSXFDCFPLOPA-MWLCHTKSSA-N	313.789	1.080	50	20	DDGD	
CC/C(C)=C(\C)C(=O)NNC(=O)[C@H]1COc2ccccc2O1	779718820	GVMSQZHRGNUERZ-PLSXKVAHSA-N	304.346	1.720	50	20	DDGD	
Cc1ncccc1NC(=O)C(=O)NNc1nccnc1C(C)C	773993423	VESMQWVRJGQYCH-UHFFFAOYSA-N	314.349	1.385	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)c1cn(C2CCOCC2)nn1	885141990	SOHDYVACOXAZRP-UHFFFAOYSA-N	323.303	1.665	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(Cl)c2c(c1)OCCO2	887139228	GNMIMOHSKIAIOE-UHFFFAOYSA-N	322.748	1.676	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C1CCOCC1)[C@H]1C[C@H]2CC[C@H]1C2	883038425	HVHXNYWBGGLIIW-UVLXDEKHSA-N	309.410	1.568	50	20	DDGD	
Cc1ccc(OCCCC(=O)NNC(=O)c2cccnn2)cc1	882061320	CYTJVVLGGNWQIQ-UHFFFAOYSA-N	314.345	1.405	50	20	DDGD	
O=C(C[C@H]1CCCS(=O)(=O)C1)NNc1ccc(F)c(F)c1	885114006	PTMGVAVITVYDNQ-SECBINFHSA-N	318.345	1.623	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)c2cc(C)[nH]n2)c(F)c1	777440575	HQUKFOGHUMUIRJ-UHFFFAOYSA-N	304.281	1.135	50	20	DDGD	
COC(=O)c1cc(OC(=O)Cc2cncs2)ccc1[N+](=O)[O-]	782469638	KCVHHSHCUQOFHQ-UHFFFAOYSA-N	322.298	1.986	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1F	1121104409	CGDHGCPTQLCYSR-UHFFFAOYSA-N	305.309	1.024	50	20	DDGD	
CC1(C)COc2c(C(=O)NNC(=O)NCC3CC3)cccc21	788741412	IGVNJUHYFWIMMJ-UHFFFAOYSA-N	303.362	1.711	50	20	DDGD	
C[C@H]1COC[C@H]1NC(=O)NNC(=O)c1ccc2ccccc2c1	1122031774	YIZCHZMHSFGZKO-XHDPSFHLSA-N	313.357	1.819	50	20	DDGD	
CC(=NNC(=O)C1CCN(c2ncccn2)CC1)[C@@H]1CCCO1	783845951	JBRHSLOWVNAEBZ-AWEZNQCLSA-N	317.393	1.364	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@H]1CCC[C@H](C)CC1	785957834	MYPJTCLFWBWJBI-XQQFMLRXSA-N	315.414	1.337	50	20	DDGD	
CCS[C@H]1CCCC[C@H]1NC(=O)NNC(=O)c1cccnn1	883499396	NGEUUTQFFIUDLR-PWSUYJOCSA-N	323.422	1.485	50	20	DDGD	
CS(=O)(=O)c1cc(C(=O)NNc2ccccc2)ccc1F	786409947	AAZOSCBFGAPTBQ-UHFFFAOYSA-N	308.334	1.986	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H]2CCC[C@H]2OC)c1	780841008	JPORZCWYRIPZAZ-GXTWGEPZSA-N	321.377	1.914	50	20	DDGD	
CC(C)[C@@H]1C[C@@H](CC(=O)NNC(=O)CC(F)(F)F)CCO1	781679676	KFNBOFKAHUXUMW-UWVGGRQHSA-N	310.316	1.928	50	20	DDGD	
O=C(NNc1ncc(F)cn1)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	785419517	KKSBGJLKFRFWRA-BGZDPUMWSA-N	320.246	1.415	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N1CC[C@](F)(C#N)C1)c1ccccc1	786118479	WEWZHRDUOPIWKC-INIZCTEOSA-N	318.352	1.643	50	20	DDGD	
CC(=O)NC1(C(=O)NNc2ncncc2Cl)CCCCC1	781820700	YNKVFZVQXHUXKW-UHFFFAOYSA-N	311.773	1.412	50	20	DDGD	
C[C@@H]1CC[C@@H](C(F)(F)F)CN1CC(=O)NNC(=O)C1CC1	780385403	IIPSNIGFQVAVDU-PSASIEDQSA-N	307.316	1.207	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H](C)Cc2cccnc2)n1	898343961	AEFSTIXCXLOPJY-GFCCVEGCSA-N	300.366	1.746	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@H](NC(=O)NNc2ncncc2Cl)C1(C)C	781017425	XMMMOBFETAHVLX-UJNFCWOMSA-N	313.789	1.816	50	20	DDGD	
O=S(=O)(CBr)NCc1ccn2ccnc2c1	782473564	YOPHOGHYMFHFQW-UHFFFAOYSA-N	304.169	1.106	50	20	DDGD	
COC(=O)[C@@H](C)Oc1ccccc1/C=C(/C#N)C(=O)NC1CC1	899337262	CYLTZPUXLFSWQH-NASPGAHYSA-N	314.341	1.812	50	20	DDGD	
CC(C)[C@@H](C=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1	794487607	AHTDQVJGKGBIBC-LSDHHAIUSA-N	322.430	1.963	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1cccc(C)n1)[C@@H]1CCCO1	793018044	VDJCNLBUZFAVQO-AAEUAGOBSA-N	306.366	1.292	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)c2ccc(C)cc2O)on1	792978303	UZIFPPDGIMRBCU-UHFFFAOYSA-N	317.301	1.629	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2Cc3ccccc3S2)n1	794077424	WALLUZCVZJXLAU-AWEZNQCLSA-N	313.382	1.868	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)c1c[nH]c2ccccc12	792842149	FWYUHBOPZSLGNB-QMTHXVAHSA-N	303.362	1.990	50	20	DDGD	
COc1cc(C(=O)NNC(=O)Nc2ccccc2C)nn1C	798313961	YTTOJYUXSCFSRC-UHFFFAOYSA-N	303.322	1.204	50	20	DDGD	
C=C(CBr)COC(=O)c1cc(O)nc(OC)n1	795596672	HVAHNJVAHLVVND-UHFFFAOYSA-N	303.112	1.299	50	20	DDGD	
O=C(NNc1cccnc1Cl)C(=O)Nc1cncc(F)c1	799262576	ZXNJUCZBAAWLRI-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
Cc1cnn(CC(=O)NNC(=O)c2cc(C)nc3ccccc23)c1	799006928	MXCLAFREECKTOC-UHFFFAOYSA-N	323.356	1.509	50	20	DDGD	
CCN1C[C@H](C)N(C(=O)NNC(=O)c2cccc(C)n2)C[C@@H]1C	793229376	YKPFKLIYFRRXHV-STQMWFEESA-N	319.409	1.159	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ncoc2[C@H]2CCCO2)n1	1318577139	KZMCWWZATSVDNM-SNVBAGLBSA-N	303.322	1.690	50	20	DDGD	
C[C@H]1CC(C)(C)CC[C@H]1NC(=O)NNC(=O)C1CCNCC1	1325366289	KTQSKYVLXYDZEW-WCQYABFASA-N	310.442	1.531	50	20	DDGD	
Cc1ccc([C@H](C)CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	1325976695	OKXTVTPXKWURMM-NFAWXSAZSA-N	319.405	1.854	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)C(=O)NC2CC2)c(Cl)c1	1327172928	SJYBVUJBGVCUQQ-UHFFFAOYSA-N	310.741	1.080	50	20	DDGD	
C/C(NNC(=O)C[n+]1ccccc1)=C1/C=C(F)C=C(F)C1=O	1326862830	GMHHUUCUXYGHOH-UHFFFAOYSA-O	306.292	1.158	50	20	DDGD	
C=CCOc1ccc(CC(=O)NNC(=S)NC(C)C)cc1	1327931450	WYWFAEJXOLTKJK-UHFFFAOYSA-N	307.419	1.698	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)CCO)cc1OCC	1321215070	KWRDNFAIRGQXIT-UHFFFAOYSA-N	311.338	1.019	50	20	DDGD	
COc1cc(C=NNC(=O)C2CCOCC2)ccc1OCC#N	1330915412	CAUZNJJEAHLSAV-UHFFFAOYSA-N	317.345	1.474	50	20	DDGD	
CCN(CC)c1ccc(C=NNC(=O)c2cccnn2)c(O)c1	1333197369	AACZNATXVSBSLD-UHFFFAOYSA-N	313.361	1.792	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccc(Cl)c2ncccc12	1338051987	KWYFCKPZJLWMII-UHFFFAOYSA-N	308.725	1.423	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCCC[C@@H]2N(C)C)n1	1256324382	LERDKEBZXZQZCD-OCCSQVGLSA-N	319.409	1.207	50	20	DDGD	
C[C@@]1(COC(=O)CNC(=O)N2CCCC2)C[C@H]1Br	1344037600	QHDYQUOWXDJOQI-SKDRFNHKSA-N	319.199	1.509	50	20	DDGD	
COc1cc(NNC(=O)[C@@H]2CN3CCN2C[C@H]3C)ccc1Cl	1348577664	RXXKDMNSRFKUKY-MFKMUULPSA-N	324.812	1.180	50	20	DDGD	
CCCN1CCCC[C@H]1C(=O)NNC(=O)OCC(F)(F)F	1347864922	FXTNFTBHUMPWAV-VIFPVBQESA-N	311.304	1.571	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1ccnc(Cl)c1Cl	1350572488	BUXTWWGKBXARTN-UHFFFAOYSA-N	307.206	1.906	50	20	DDGD	
CC(C)CCC=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	1603278531	RAXUUDIJUQYXOZ-UHFFFAOYSA-N	316.365	1.784	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2ccc(F)c(C(=O)O)c2)CCN1	1604678029	ZDTJJRQVGZWQLP-DTWKUNHWSA-N	310.329	1.291	50	20	DDGD	
Cc1c(NNC(=O)N[C@@H]2CCO[C@H](C)C2)cccc1C(=O)O	1600050368	DICJQRLNQLNEJT-MWLCHTKSSA-N	307.350	1.887	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2cccc(-n3cncn3)n2)c1	1602450225	PXBLXHRIHYPSHR-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)Cc1ccc(C(=O)O)cc1	1600565593	BPTAHDBVNGSPMP-UHFFFAOYSA-N	312.325	1.697	50	20	DDGD	
CC(C)(C)CCNC(=O)NNc1cccc(-c2nn[nH]n2)c1	1603075029	SUJURFVOGHMUBX-UHFFFAOYSA-N	303.370	1.929	50	20	DDGD	
CC[C@H](C(=O)NNc1ccc(C)c(C(=O)O)c1)N1CCCC1=O	1604869267	OTMBQQUJPCJATF-CYBMUJFWSA-N	319.361	1.537	50	20	DDGD	
O=C(NCC(Cl)Cl)Nc1nc2n(c1C(=O)O)CCC2	1601463549	ORRADDCNGHXFME-UHFFFAOYSA-N	307.137	1.453	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCSC[C@@H]1C(=O)O	1603302917	OXNOSPZOIBJGPC-SFYZADRCSA-N	324.240	1.825	50	20	DDGD	
O=C(NC[C@H]1C[C@H]1C(=O)O)NNc1cc(F)cc(Cl)c1	1601527586	FRLSYUSKEJHREP-LHLIQPBNSA-N	301.705	1.826	50	20	DDGD	
O=C(CC[C@@H]1C[C@H](C(=O)O)CO1)NNc1ccnc(Cl)c1	1608314358	WGUPSQIXKXIWNS-WCBMZHEXSA-N	313.741	1.448	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1ccc(Br)cc1F	1610782848	FQFYCIWAEZMBRB-UHFFFAOYSA-N	318.102	1.306	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H](N)[C@H](C)OCc2ccccc2)cc[nH]1	1579637924	JAZSALLBHFGDRS-XJKSGUPXSA-N	314.389	1.188	50	20	DDGD	
Cc1[nH]c(C=O)cc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	1580470379	GMXUYYAJWXPLLE-UHFFFAOYSA-N	311.305	1.073	50	20	DDGD	
CCCN1CCC(NC(=O)NNc2ncccc2C(=O)O)CC1	1589674764	FJKXWBDTOOQKMQ-UHFFFAOYSA-N	321.381	1.280	50	20	DDGD	
CC(C)C[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C(=O)O	1588898683	USWPNRMABXZQAU-UNJUUPHPSA-N	302.330	1.915	50	20	DDGD	
Cn1nc(C(=O)O)cc1C(=O)NNc1cc(F)c(F)cc1F	1594568328	LDRZZMYIPCNGNT-UHFFFAOYSA-N	314.223	1.293	50	20	DDGD	
CC(C)SCC(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1591823533	IVNSKMQIEYKMGI-UHFFFAOYSA-N	317.436	1.721	50	20	DDGD	
COC[C@@H](NC(=O)NNc1cccc(C(=O)O)c1F)C(C)C	1599175043	VJYCRRPODJCMFC-LLVKDONJSA-N	313.329	1.821	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](C)c1cccc(-c2nn[nH]n2)c1	1590797229	MMZUSLFFANXZDB-PEHNMLCRSA-N	312.333	1.488	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1Cc2cccc(-c3nn[nH]n3)c2C1	1590796826	DPBRMDGQFMJNHZ-PKNBQFBNSA-N	310.317	1.153	50	20	DDGD	
Cn1nc(C(=O)O)cc1C(=O)NNc1cccc2c1CCCC2	1594568925	RVBBDGIEZZTWEP-UHFFFAOYSA-N	314.345	1.754	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@]2(C(=O)O)CC=CCC2)cc1	1594078727	PERWHIOAJNOGAK-INIZCTEOSA-N	318.329	1.267	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@@H](C(=O)O)C2CC2)cc1C	1591176760	WNWQFUWGVMLOLI-ZDUSSCGKSA-N	320.345	1.726	50	20	DDGD	
COc1cccc(C(=O)NN=Cc2cc(C(=O)O)c(C)[nH]2)c1	1776110045	LQMWVXUVCJFKST-UHFFFAOYSA-N	301.302	1.794	50	20	DDGD	
COC[C@@H](CCO)NS(=O)(=O)c1ccc(CCCl)cc1	219849091	PVFBRLLQBSULPL-GFCCVEGCSA-N	321.826	1.144	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Cc2n[nH]c(=O)c3ccccc23)n1	14510992	NRHSNZJBUVUYAT-UHFFFAOYSA-N	324.344	1.016	50	20	DDGD	
O=C(NNC(=O)c1ccc(O)cc1)Nc1cccc([N+](=O)[O-])c1	18171910	AGYRCDAHRKUFGS-UHFFFAOYSA-N	316.273	1.767	50	20	DDGD	
COCCC1(C(=O)NNC(=O)CNc2ccccc2)CCCC1	160978585	LDPTUHMSGDVYAD-UHFFFAOYSA-N	319.405	1.843	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ncoc2-c2ccccc2)[nH]n1	151180980	VPMDWHDYFQLDKI-UHFFFAOYSA-N	311.301	1.448	50	20	DDGD	
Cc1ccc(C(=O)C(=O)NNc2nc3ccccc3c(=O)[nH]2)cc1	151826398	RIMTUPTYPULCCJ-UHFFFAOYSA-N	322.324	1.558	50	20	DDGD	
Cc1ccc(C(N)=O)cc1OS(=O)(=O)CCCCCl	154094477	GGEAZPWWCDYMHN-UHFFFAOYSA-N	305.783	1.822	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNc1ccncc1Cl	154738931	AABRRPMHOXUWIP-UHFFFAOYSA-N	310.766	1.670	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CC(C)(C)CC(=O)OC)cc1	154779729	HLRYENXITUZTCY-UHFFFAOYSA-N	320.389	1.989	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)c2ccc(CCl)cc2)C[C@H](CO)O1	312572507	SLYLKPGKCVXVOF-ZYHUDNBSSA-N	319.810	1.196	50	20	DDGD	
O=S(=O)(c1ccc(CCl)cc1)N1CCn2cnnc2C1	88958439	YDIRHEHTLIYDBA-UHFFFAOYSA-N	312.782	1.221	50	20	DDGD	
O=C(COC(=O)C1CCCC1)NNC(=O)c1ccc(Cl)cc1	6640450	NURCGHYPKOFQKL-UHFFFAOYSA-N	324.764	1.834	50	20	DDGD	
Cc1ccccc1OCC(=O)NNC(=O)c1cccc(C#N)c1	7593513	DZNAJOZKZUOVSS-UHFFFAOYSA-N	309.325	1.707	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1	109824598	YXRNIEYGXPZXIY-AWEZNQCLSA-N	317.433	1.887	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)Nc2cc(C)on2)cc1	56516660	ZLADXYWLWFYBCV-UHFFFAOYSA-N	318.333	1.777	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)Cc1c(C)noc1C	58865324	YMLMNGJEOAVIDB-UHFFFAOYSA-N	302.334	1.995	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@H]1CSc2ccccc21	118530696	QJWJJLOKESNGQE-QMMMGPOBSA-N	319.308	1.769	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)C1(c2ccccc2)CCC1	103424406	VCRZZNHVFRBZBI-UHFFFAOYSA-N	309.369	1.893	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCO[C@H](c2ccccc2F)C1	111217051	YLNMXNMYPAOLAO-FZMZJTMJSA-N	323.368	1.145	50	20	DDGD	
CC1(C)[C@H]2CC[C@@]1(C(=O)NNC(=O)c1ccccc1)C(=O)C2	101103230	QXQKRVKJSUJWKQ-SJCJKPOMSA-N	300.358	1.843	50	20	DDGD	
O=C(NCCc1cccs1)N/N=C1\C(=O)Nc2ccccc21	64922792	LJNRCGVBGAROLZ-UHFFFAOYSA-N	314.370	1.946	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2nncn2-c2ccccc2)nn1	106264442	LOOGLIPBQQPHRC-UHFFFAOYSA-N	324.348	1.192	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CCC[C@@H]2C)cc1	105312118	GSFZAMMMOKRYFP-JSGCOSHPSA-N	305.378	1.893	50	20	DDGD	
C[C@H](NC(=O)c1cccs1)C(=O)NNC(=O)CC(C)(C)C	103198665	DUTUNWWHAKZMDC-VIFPVBQESA-N	311.407	1.450	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@@H]1CCN(c2ccccc2F)C1=O	112265998	ITFBNUZRJMPOGF-BSYHEUMXSA-N	317.320	1.491	50	20	DDGD	
Cn1c(NNC(=O)CCc2ccncc2)nc2ccccc2c1=O	113186531	IDBBOUKYXGJNGB-UHFFFAOYSA-N	323.356	1.404	50	20	DDGD	
CS(=O)(=O)N1CCC[C@H]1C(=O)NNc1ccccc1Cl	171963359	GUCJWSRPNPBUNK-NSHDSACASA-N	317.798	1.207	50	20	DDGD	
O=C(CSc1nc2ccccc2o1)NNC(=O)NC1CC1	64429203	LEIGLGSENKELCD-UHFFFAOYSA-N	306.347	1.413	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2cn(C)nc2C)c1	113459868	HFSYUBBTYCKJNC-UHFFFAOYSA-N	303.391	1.668	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H]2C[C@@H]2C2CC2)c1	177610589	XCOUZIWIAFUJEL-KGLIPLIRSA-N	302.374	1.876	50	20	DDGD	
O=C(/C=C/c1nccs1)NNC(=O)NCCc1cccs1	65198631	FFGFPGYADXVCDS-ONEGZZNKSA-N	322.415	1.791	50	20	DDGD	
CCN1CCCC[C@H]1C(=O)NNC(=O)Cc1ccccc1F	66839838	JNRFQZPGMSUUQR-AWEZNQCLSA-N	307.369	1.390	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccc(-c2ccccc2Cl)o1	170796421	PMLNQEIAMLMWLG-UHFFFAOYSA-N	321.764	1.923	50	20	DDGD	
C[C@H](Cc1ccccc1F)C(=O)NNC(=O)N1CCOCC1	172343528	BZXDZAWCOJLVGM-LLVKDONJSA-N	309.341	1.077	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CCCOCCc1ccccc1	63268823	RAEZLYZOEDPOOM-UHFFFAOYSA-N	307.394	1.765	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc3ncsc3c2)[nH]n1	178367274	OXCCWXVHBVKSMC-UHFFFAOYSA-N	301.331	1.403	50	20	DDGD	
O=C(/C=C/c1ccc(Cl)nc1)NNC(=O)NCC(F)(F)F	120660332	CHHXDNJNEHASDZ-DUXPYHPUSA-N	322.674	1.641	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccnc(OCC(F)F)c1	121446079	KPBZUSLZFAMCKL-UHFFFAOYSA-N	315.320	1.923	50	20	DDGD	
O=C(C[C@H]1CCS(=O)(=O)C1)NNc1cccc2c1CCCC2	120156838	ZKOZQYQDZPVKQB-GFCCVEGCSA-N	322.430	1.833	50	20	DDGD	
CCc1nn(C)c(CC)c1CNC(=O)NNC(=O)CC(C)(C)C	127695859	SNGAWWZXUVTSLC-UHFFFAOYSA-N	323.441	1.812	50	20	DDGD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NNC(=O)c1ccccc1Cl	120129522	WANJEHGEAFMCFM-GHMZBOCLSA-N	309.797	1.974	50	20	DDGD	
C[C@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)NNc2cccnn2)C1	77349319	FHBFUQOOVJSBTQ-BETUJISGSA-N	320.441	1.859	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1ccc[nH]1)N(C)c1ccccc1	126942596	BYELLNCSAFVCKA-LBPRGKRZSA-N	315.377	1.484	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2ccccn2)cc1	129309837	CGWRWJVAOZQUTM-UHFFFAOYSA-N	300.318	1.622	50	20	DDGD	
O=C(CSCc1cscn1)NNC(=O)NCC1CC1	128991242	SEOMMZMNZGCMST-UHFFFAOYSA-N	300.409	1.117	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@H]2C[C@]2(C)C(C)C)c1	188294293	ZUTVMELYPOMCST-RHSMWYFYSA-N	319.405	1.937	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCC[C@H]1CCCCO1	181862276	UXXGFXNANAWPCG-OAHLLOKOSA-N	319.405	1.909	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)C1=Cc2cc(F)ccc2OC1	124964045	NXTLHCHNPYXPAF-UHFFFAOYSA-N	305.309	1.342	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2csnc2C)c1	181710954	GGRVPWWHVUWKPI-UHFFFAOYSA-N	319.386	1.908	50	20	DDGD	
CCc1n[nH]c(=O)c(C(=O)NNc2cc(Cl)ccn2)c1CC	182953582	CQZKKRSMHBQQQA-UHFFFAOYSA-N	321.768	1.700	50	20	DDGD	
COc1cccc(NNC(=O)C(=O)Nc2cccc(F)c2)n1	181520559	NXTZWXGLCMTFTK-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
COc1c(C)cnc(CNC(=O)NNC(=O)c2ccc[nH]2)c1C	127454499	TUJXUTULCAADSD-UHFFFAOYSA-N	317.349	1.179	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@@H](O)c1ccc(Cl)cc1	79451859	TVNFEVVBBGWORS-LLVKDONJSA-N	313.785	1.750	50	20	DDGD	
CC(C)C[C@H](CO)NC(=O)NNC(=O)c1cc2ccccc2o1	181366240	SHGOXJOBSUUDFF-GFCCVEGCSA-N	319.361	1.784	50	20	DDGD	
CC[C@@H](C)Oc1cc(CNC(=O)NNc2cccnn2)ccn1	180688772	UEYPJHOFLGEEEP-LLVKDONJSA-N	316.365	1.875	50	20	DDGD	
COC(=O)[C@H](O)C1CCN(C[C@@H](C)CBr)CC1	134038090	FROLZHJTOTUCQA-GXSJLCMTSA-N	308.216	1.263	50	20	DDGD	
CCOC(=O)Nc1ccc(C(=O)NNC(=O)NCC2CC2)cc1	139386920	BWGFBNIADITQDS-UHFFFAOYSA-N	320.349	1.609	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)NCc1cccnc1	73117550	TUUSBUYKBMCEJI-UHFFFAOYSA-N	318.308	1.130	50	20	DDGD	
COC[C@@H](NC(=O)NNc1ncnc2ccsc12)C(C)C	131593855	KUEHJXFVZLIZNL-SNVBAGLBSA-N	309.395	1.988	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)c2ccc(Cl)nc2)s1	48791839	YTTGCEGWPCAUGV-UHFFFAOYSA-N	310.766	1.883	50	20	DDGD	
O=C(COc1cc(Cl)ccc1Cl)NNC(=O)NC1CC1	49150824	HSZVMIKDQNIXQL-UHFFFAOYSA-N	318.160	1.865	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)C(C)(C)C#N)[nH]n2)cc1	194188746	LPCLQZMPPDQXFZ-UHFFFAOYSA-N	311.345	1.696	50	20	DDGD	
O=C(CCOCC(F)F)NNC(=O)c1c[nH]c2ccccc12	190690411	NHDMKELYMHRUMI-UHFFFAOYSA-N	311.288	1.601	50	20	DDGD	
O=C(CCOCC(F)F)NNc1nc(-c2ccccc2)no1	191550910	WUIMUWUOPUIKDV-UHFFFAOYSA-N	312.276	1.852	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(-n3cccn3)cc2)o1	84292166	IZJAITPMPLURFX-UHFFFAOYSA-N	310.313	1.849	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@H]1Cc2ccccc2O1	132762733	CJDACCKMPNLRGX-MRXNPFEDSA-N	310.353	1.770	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccoc1Br	194490539	LKCYMFRZKLBNEZ-UHFFFAOYSA-N	320.143	1.023	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CC[C@H]1CCCO1	46141655	JLAHQKHWHAEBNM-VXGBXAGGSA-N	324.352	1.700	50	20	DDGD	
COc1ncccc1CNC(=O)NNc1nc(C)cc(C)n1	45966234	BVVVZFUNVQAREI-UHFFFAOYSA-N	302.338	1.323	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O	193239115	WSEKTHYGQJHDGY-FOSCPWQOSA-N	303.362	1.182	50	20	DDGD	
CCc1ccc(O)c(C(=O)NNc2cc(Cl)nc(N)n2)c1	134115696	KBRQBYKFEUHAQG-UHFFFAOYSA-N	307.741	1.737	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)C[C@@H](C)C2CC2)cc1	145341583	JIEGDWGPGUDESK-GFCCVEGCSA-N	318.373	1.735	50	20	DDGD	
COC(=O)[C@H]1CC[C@@H](NC(=O)/C(C#N)=C\c2ccc(O)cc2)C1	192667571	SZGRBBAOMUEZHR-DOOVCASASA-N	314.341	1.757	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc2cc[nH]c2c1	94120981	CCDFAAXKJSBJIZ-UHFFFAOYSA-N	308.432	1.640	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@@H]2[C@H]3CCC[C@H]32)o1	248345172	MMDXLSAVYWNOKO-NHAGDIPZSA-N	319.405	1.929	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C[S@](C)=O)c1ccccc1	269448220	BKOIKUKBVPCZOU-PTQRBFNISA-N	306.387	1.666	50	20	DDGD	
CC(=O)NCCCNC(=O)NNc1cccc([N+](=O)[O-])c1C	263961190	IESPWTOVWJKDFC-UHFFFAOYSA-N	309.326	1.056	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)NC2CC(C)C2)c1	268079831	XZVGQWQIURVECR-UHFFFAOYSA-N	305.378	1.811	50	20	DDGD	
N#CCCCCNC(=O)NNC(=O)COc1ccccc1F	264167934	YCUMSAICLNBGCU-UHFFFAOYSA-N	308.313	1.229	50	20	DDGD	
CCOCCC(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1	263969910	DPZFMBSBBHPWOH-UHFFFAOYSA-N	324.377	1.670	50	20	DDGD	
CCNC(=O)C(C)(C)CNC(=O)NNc1c(F)cccc1F	269489919	KVJAEBOPWGFVLM-UHFFFAOYSA-N	314.336	1.753	50	20	DDGD	
C[C@@](O)(CC(=O)NNC(=O)CSc1ccccc1O)C1CC1	271146966	PUTGEXSYCWMKNS-OAHLLOKOSA-N	324.402	1.183	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1cnc2n1CCCC2	365157595	QDGVPGYVGIULKA-UHFFFAOYSA-N	308.345	1.920	50	20	DDGD	
CCOC(=O)Nc1ccc(NC(=O)NNC(=O)C2CC2)cc1	273245976	VDTZTLGBSDNZGW-UHFFFAOYSA-N	306.322	1.818	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cnn(C)c2C2CC2)c1	272836853	PRLRNVCWAYARMU-UHFFFAOYSA-N	314.345	1.841	50	20	DDGD	
CSc1ccccc1NC(=O)C(=O)NNC(=O)C1CCC1	274018909	BLQIBDLJQLKEED-UHFFFAOYSA-N	307.375	1.295	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cn(C)nc1-c1cccs1	271042858	JRYQERBLTYMSKD-UHFFFAOYSA-N	306.391	1.956	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NOCCSC)c1ccccc1	279748150	YFVSUEJSQRPTOI-GFCCVEGCSA-N	311.407	1.805	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)nc1	275429181	APTMYRNWMDWYPI-VIFPVBQESA-N	310.354	1.447	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)c3cnnn3C)cc2C1	281511863	KPCVFVHXCJGUCU-MRVPVSSYSA-N	319.390	1.076	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Nc1cc(F)cc(F)c1)N(C)C	283639776	CIKQQINUBXRPLW-LLVKDONJSA-N	300.309	1.458	50	20	DDGD	
CCCC[C@@H](C)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1	282187663	WIABMOAJCZYTEM-LLVKDONJSA-N	316.365	1.250	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NCCSSC)cc1	285353900	UEAWJMYUKUMKMV-UHFFFAOYSA-N	300.405	1.761	50	20	DDGD	
O=C(CCCn1cccc1)NNC(=O)COc1ccc(F)cc1	280853296	AOPOUDDJPQPGPT-UHFFFAOYSA-N	319.336	1.634	50	20	DDGD	
COCC(C)(C)CCCNC(=O)NNC(=O)Cc1cccnc1	287245912	HCOFSYPAZJRZLB-UHFFFAOYSA-N	322.409	1.407	50	20	DDGD	
O=C(NNC(=O)c1cscc1Br)NC1CC1	284999774	GBUKQPXWCBGIFZ-UHFFFAOYSA-N	304.169	1.617	50	20	DDGD	
C=C(CNC(=O)NNC(=O)[C@@H](C)OCCOC)c1ccccc1	287780038	AKWDSEJQLGFRAG-CYBMUJFWSA-N	321.377	1.082	50	20	DDGD	
CC(C)[C@]1(C)C[C@H]1C(=O)NNc1ccc(-n2ccnc2)nn1	286709338	RNOGIHOAEHOSOL-NHYWBVRUSA-N	300.366	1.788	50	20	DDGD	
O=C(NC[C@@H]1CCCCO1)NNC(=O)c1cccc(Cl)c1	299226976	XUCMBUOKNIPCHF-LBPRGKRZSA-N	311.769	1.853	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cccnc2F)cc1OC	806292437	NDRFJSXLYFOXNX-UHFFFAOYSA-N	319.292	1.313	50	20	DDGD	
CC1(C)CC(C(=O)OCC(=O)NNC(=O)c2cccs2)C1	803757282	KVERVZHTMRLQIK-UHFFFAOYSA-N	310.375	1.489	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2cccc3c2COC3=O)n1	808904067	TYWSTIFHSWSJLC-UHFFFAOYSA-N	313.317	1.912	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Cn1ccnc1C)c1ccccc1	297308764	FJLHLGOHRCFXPN-CQSZACIVSA-N	300.362	1.533	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)CCc1ccccc1O	800330414	UPYRQXWIUNCXBL-FIXISWKDSA-N	306.362	1.286	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1c(F)ccc(O)c1F	809684989	VBSWVFKXFIVOAZ-UHFFFAOYSA-N	300.652	1.871	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(CN3CCCC3)on2)nc1	292845768	BLUCXXZXADDBSD-UHFFFAOYSA-N	317.349	1.431	50	20	DDGD	
COC(=O)CCCNC(=O)NNC(=O)c1cccc(Cl)c1	298665918	RREVAKUDCAXRPW-UHFFFAOYSA-N	313.741	1.237	50	20	DDGD	
COC(=O)c1ccc(O)cc1NS(=O)(=O)CCCCCl	294195259	LKXGJCQBQXVVQY-UHFFFAOYSA-N	321.782	1.940	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@H](C)CCc2ccco2)O1	297656063	IQCXVKMEOCJXPW-MDZLAQPJSA-N	309.366	1.499	50	20	DDGD	
COCC(C)(C)CNC(=O)NNC(=O)C(C)(C)c1ccccc1	291914177	RABPWDCKEZMRNP-UHFFFAOYSA-N	321.421	1.967	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc(Br)o1	295321579	GOUIZZRIEYGRQP-SSDOTTSWSA-N	317.139	1.372	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1ccc(O)cc1O	803429337	TXAVOLSRVZIUEA-UHFFFAOYSA-N	311.297	1.696	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1ccn(-c2ccccc2)n1	802025180	VGEXCBMEPIAOLF-UHFFFAOYSA-N	322.328	1.156	50	20	DDGD	
COC(=O)Cc1occc1C(=O)NNc1cc(C)nc(C)n1	290563294	SGTOPFMBWSVFIR-UHFFFAOYSA-N	304.306	1.159	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1c(C)nn(C(C)C)c1C	292059398	UHMHCLJBTDYJMG-UHFFFAOYSA-N	309.439	1.305	50	20	DDGD	
COC(=O)c1c(F)cc(NC(=O)NNc2ncccn2)cc1F	801844754	MZDZHARUJAESPW-UHFFFAOYSA-N	323.259	1.690	50	20	DDGD	
COCc1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2C)no1	805383876	SKILNELTHJVOTL-UHFFFAOYSA-N	306.278	1.795	50	20	DDGD	
CN(C)N(C(=O)CCCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1	808024601	MNISRMQALDDLAN-GFCCVEGCSA-N	320.455	1.074	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1ncoc1C1CC1	295046151	JPBPRMSKUDTIJB-UHFFFAOYSA-N	315.329	1.651	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccnc3ccncc23)nc1	807166934	OMBMDZKIQBXPLU-UHFFFAOYSA-N	323.312	1.568	50	20	DDGD	
CC(C)(C#N)C(=O)NNC(=O)c1ccc(Br)s1	298874344	LVKJLCUFEQTCCL-UHFFFAOYSA-N	316.180	1.821	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNc1nnc(-c2ccccn2)s1	295543509	WJNQHMSMWKEBCH-SNVBAGLBSA-N	307.379	1.858	50	20	DDGD	
C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NN(C)CCOC	816562078	XRNZJQJMGFBUCI-GFCCVEGCSA-N	303.362	1.111	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(Cc1ccccc1Cl)OC	810141007	HPQMBCXPDOELNC-JTQLQIEISA-N	313.785	1.649	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1ncoc1C1CC1	815323775	SEIJTESHKOZVML-SECBINFHSA-N	323.349	1.291	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C#N)cc1)c1cccc(CO)c1	814722442	ZKIKDWDJZKERJF-UHFFFAOYSA-N	323.352	1.970	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)c2ccc(Cl)nc2)n1C	811639090	OAMBSDFOJHSOSY-UHFFFAOYSA-N	306.757	1.298	50	20	DDGD	
Cn1c(NNC(=O)CS(=O)(=O)C(C)(C)C)nc2ccccc21	816578460	CRXBRKQAIOPGKD-UHFFFAOYSA-N	324.406	1.230	50	20	DDGD	
N#CSCCCNC(=O)Cn1ccc2ccccc2c1=O	816538043	BYFPQCJGQWNLGT-UHFFFAOYSA-N	301.371	1.722	50	20	DDGD	
CCOc1ccc(NNC(=O)c2nc3nccc(C)n3n2)cc1	817925953	YETUNGIYJKQMRG-UHFFFAOYSA-N	312.333	1.588	50	20	DDGD	
Cc1nc(C(=O)NNc2cccc(S(C)(=O)=O)c2)c(C)o1	815968118	XHAMLAJKLWHRSY-UHFFFAOYSA-N	309.347	1.452	50	20	DDGD	
N#Cc1cccc(OCc2ccoc2C(=O)NNc2nc[nH]n2)c1	816633703	KGROGQDOOHEBOO-UHFFFAOYSA-N	324.300	1.605	50	20	DDGD	
O=C(NNc1cc(Cl)nc(Cl)c1)[C@]1(O)CCSC1	819747804	XEWVKDUSOSTIOD-JTQLQIEISA-N	308.190	1.700	50	20	DDGD	
CCOC1CC(=NNC(=O)[C@@H](C)CN2C[C@H](C)O[C@H](C)C2)C1	814766665	OJXVOLYFZAOGEX-KIFYNCCSSA-N	311.426	1.403	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1F)c1cnn2cccnc12	728715708	WSEORUHCIMJFPZ-UHFFFAOYSA-N	307.235	1.904	50	20	DDGD	
O=C(NCCc1cc2ccccc2[nH]1)NNc1ncncc1F	814313669	FQJBYIRHTRMEET-UHFFFAOYSA-N	314.324	1.966	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNc2nc(C)cc(C)n2)nc1	814875264	YTKXTZXDWBMZKY-UHFFFAOYSA-N	315.333	1.422	50	20	DDGD	
Cc1ccc(Br)c(C(=O)NN(C)[C@@H](C)CO)c1	823946466	KBTJCWWTFCLDRC-VIFPVBQESA-N	301.184	1.715	50	20	DDGD	
CN(C)CC1(CNC(=O)/C(C#N)=C/c2cnn(C)c2)CCCC1	491129560	HBHAHBFNHIVEAJ-OVCLIPMQSA-N	315.421	1.565	50	20	DDGD	
COc1ccc(N(CC(=O)NNC(=O)C(C)C)CC(C)C)cc1	828205725	HHXMIDZKIPRESO-UHFFFAOYSA-N	321.421	1.961	50	20	DDGD	
Cn1ccnc(NNC(=O)[C@H]2CCC[C@@H]2c2ccccc2)c1=O	826620780	UXFVBSNRQMVLIF-KGLIPLIRSA-N	312.373	1.807	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1nc2cccc(C(=O)OC)c2[nH]1	490811243	DUETVIGDIPIVOD-HJWRWDBZSA-N	314.301	1.732	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)c2cccn2C)cn1	726897886	UBBSDOKYMRQRKD-UHFFFAOYSA-N	305.363	1.060	50	20	DDGD	
Cc1cccc2sc(NNC(=O)[C@@H]3CCOC(=O)N3)nc12	828358080	HMIVRCFKOMZUCT-QMMMGPOBSA-N	306.347	1.546	50	20	DDGD	
CO[C@@H](CC(C)C)CS(=O)(=O)NN(C)C(=O)OC(C)(C)C	496086141	LRPGMQDRCCJZOR-NSHDSACASA-N	324.443	1.749	50	20	DDGD	
CCOC1CC(=NNC(=O)CCCNC(=O)OC(C)(C)C)C1	496789201	CHJWSOLOMDOVTF-UHFFFAOYSA-N	313.398	1.962	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ccc(F)cc2)[C@@H]2CCCC[C@H]2N1	820682475	OHLKCCGVQJFZAS-MELADBBJSA-N	305.353	1.964	50	20	DDGD	
O=C(/C=C\[C@@H]1CCOC1)NNC(=O)C12CC3CC(CC(C3)C1)C2	493751653	HMJZYXRDNVARFQ-ABBHGYDHSA-N	318.417	1.943	50	20	DDGD	
Cc1ccsc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	826315812	UXFCHBHMLJYVIO-UHFFFAOYSA-N	300.347	1.994	50	20	DDGD	
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CC(C)C	493967860	BRJKXNQQOYFSCM-JTQLQIEISA-N	301.387	1.483	50	20	DDGD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NN(C)C(=O)OC(C)(C)C	496792125	IABYUQVHOBPVJX-QWRGUYRKSA-N	302.371	1.469	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)NC(C)C)c(-c2ccccc2)n1	900416698	IWYUJYSEBLUUAL-UHFFFAOYSA-N	315.377	1.922	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(S(C)(=O)=O)ccc1Cl	490557038	VYCLVMZLLUVPOE-UHFFFAOYSA-N	320.754	1.134	50	20	DDGD	
C=CCOCCCC(=O)NNc1ccc(-c2nn[nH]n2)cc1	823925228	GGCACRFURZTEBV-UHFFFAOYSA-N	302.338	1.293	50	20	DDGD	
COc1ccnc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)c1	738142873	QAWPGOSTHLWMPP-UHFFFAOYSA-N	318.241	1.916	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@H]2CO[C@H](C)C2)cc1	827617113	CFVQOZDPNSMOCH-MWLCHTKSSA-N	308.338	1.208	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C	496317427	AHHRFRANBWNOCI-GFCCVEGCSA-N	315.414	1.385	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21)c1ccccc1	906641262	DUWOHAOWLFZTJX-MYZSUADSSA-N	300.358	1.553	50	20	DDGD	
CCCCn1ncc(NCc2ccc(B(O)O)cc2F)c1C	585035734	XJHXECRDDGDPNX-UHFFFAOYSA-N	305.162	1.423	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCc2nc(N)ncc2C1	491102828	JBTPVYMHPYECNW-KPKJPENVSA-N	321.340	1.256	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)cc1C	905096214	VJKAYANNPREGQL-IACUBPJLSA-N	317.414	1.846	50	20	DDGD	
CC[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C(OC)OC	834418642	GGGPPNKZXFPFGN-UQTJOTSZSA-N	304.346	1.813	50	20	DDGD	
CC(C)CCC(=O)NNS(=O)(=O)c1ccccc1C(=O)O	736429393	VIAKBXPVHKOCFF-UHFFFAOYSA-N	314.363	1.131	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1CCS[C@H]2CCCC[C@@H]21	584960158	IAFNCFKHRPWRQK-KBPBESRZSA-N	323.198	1.006	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1nsc2ccccc12	906416438	BPVHEUAKAOPJBV-UHFFFAOYSA-N	308.363	1.277	50	20	DDGD	
O=C(Cc1ccc(C(F)(F)F)cc1)N1CC[C@H](B(O)O)C1	585068316	AOZZSBZCXNUTMY-NSHDSACASA-N	301.073	1.323	50	20	DDGD	
CCC[C@@H](C(=O)NNC(=O)[C@H]1CCCCO1)c1ccccn1	833237033	XLBYIJWJRZJLIU-TZMCWYRMSA-N	305.378	1.682	50	20	DDGD	
COc1ccc2c(c1F)NC(=O)C2=NNC(=O)[C@H]1CCCCO1	834984301	BVTDCQHUHMQCML-SNVBAGLBSA-N	321.308	1.176	50	20	DDGD	
CC1(C)CCN(C(=O)c2ccc(B(O)O)cc2)CC(C)(C)C1	585008006	RRBKSOCUOKEMAL-UHFFFAOYSA-N	303.211	1.655	50	20	DDGD	
O=C(NCB(O)O)c1ccccc1C(=O)c1ccc(Cl)cc1	585055663	GQQQTXGDIDSMSK-UHFFFAOYSA-N	317.537	1.313	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)n[nH]1	831417492	CEJZNBFNLPQBOZ-UONOGXRCSA-N	312.373	1.900	50	20	DDGD	
CCN(CCSC)CC(=O)NNC(=O)Cc1ccccc1C	830999431	KVSPAKDMEGNOCA-UHFFFAOYSA-N	323.462	1.370	50	20	DDGD	
CC(C)c1ccc(NNC(=O)NCc2cc(C(N)=O)no2)cc1	838524893	CKUNMXJRVPJEET-UHFFFAOYSA-N	317.349	1.723	50	20	DDGD	
CO[C@@H]1COCC[C@H]1CNC(=O)NNc1cccc(Cl)n1	836571358	AIOMQTHDDCKHPX-VHSXEESVSA-N	314.773	1.413	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)CC1	839733375	IHBLEZRTVSNJCS-PBHICJAKSA-N	316.405	1.168	50	20	DDGD	
C[C@H](CNCc1cccc(B(O)O)c1)Sc1ccccc1	585026125	CGOVCAVPTNXDHS-CYBMUJFWSA-N	301.220	1.637	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1cnn(C2CCC2)c1	901156097	WNPQZGLQOOGLBK-CYBMUJFWSA-N	319.409	1.027	50	20	DDGD	
CC(C)(C)OC(=O)[C@@H](C(=O)NNc1cnccn1)C(C)(C)C	832395225	HOQPJDNGZKMKQN-LLVKDONJSA-N	308.382	1.924	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NCCCCC#N)c(F)c1	838289954	YVHKCZPTTSZTPL-UHFFFAOYSA-N	308.313	1.932	50	20	DDGD	
C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1cccc(B(O)O)c1	584968429	KWXDMKRIPJIFKF-SJKOYZFVSA-N	309.174	1.420	50	20	DDGD	
CC(C)Cc1ncc(CNCc2ccc(B(O)O)cc2)s1	585029045	BMSKBQWEWURWPE-UHFFFAOYSA-N	304.224	1.311	50	20	DDGD	
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NNc1nc2ccccn2n1	907697085	FXINZKPHOGFQHA-WDEREUQCSA-N	317.349	1.152	50	20	DDGD	
O=C(NN=Cc1ncc[nH]1)c1ccc(NN=Cc2ncc[nH]2)cc1	731149015	FLEITCRFAYIKJH-UHFFFAOYSA-N	322.332	1.343	50	20	DDGD	
COc1ccc(N(CC(=O)NNC(=O)C2CC2)C(C)C)cc1F	733194598	CBZAXRMDCZTCBT-UHFFFAOYSA-N	323.368	1.607	50	20	DDGD	
Cc1ncccc1C(=O)NNC(=O)c1ccc2c(c1)OCCO2	730961591	KMBVVOGCFMYDCX-UHFFFAOYSA-N	313.313	1.236	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@H](C)CC(=O)O)c1C	832972561	FCRGMGCGAXXLLN-PWSUYJOCSA-N	322.361	1.329	50	20	DDGD	
O=C(CNC(=O)c1ccncc1)NNc1cccc(Cl)c1	914834187	SAMLAXIAFORHQG-UHFFFAOYSA-N	304.737	1.608	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)C(C)(C)c2ccccc2)cn1	731176326	PWLXPQKEKPZIBQ-UHFFFAOYSA-N	307.353	1.802	50	20	DDGD	
COCc1nn(C)cc1C(=O)OC[C@@H](C)CBr	838161760	CWIODOQGKFOPDQ-QMMMGPOBSA-N	305.172	1.754	50	20	DDGD	
CCC(Cc1ccc(C)cc1)=NNC(=O)[C@@H]1CCS(=O)(=O)C1	731926297	VXTIHZJXPZCTRB-CQSZACIVSA-N	322.430	1.854	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNC(=O)Cc1ccc(F)cc1	839474563	UIQNWUIWHKPLIX-LBPRGKRZSA-N	310.325	1.105	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)C(C)(C)c2ccccc2)COC1	836290257	GZGIRAVCZZSPMT-UHFFFAOYSA-N	319.405	1.721	50	20	DDGD	
C[C@@H](N)C[C@@H](C)NC(=O)NNc1ccc2c(=O)[nH]ccc2c1	831217917	ODTFZWYIZQDLES-NXEZZACHSA-N	303.366	1.280	50	20	DDGD	
CNC(=O)NN=C(C)c1cc(Br)c(F)cc1O	746566232	UKLADOHUIZCWOS-UHFFFAOYSA-N	304.119	1.947	50	20	DDGD	
Nc1ccc(C(=O)NNC(=O)CCc2ccco2)cc1[N+](=O)[O-]	748269285	XAQSSVXFFOLESH-UHFFFAOYSA-N	318.289	1.164	50	20	DDGD	
Cc1c(NNC(=O)c2ccc(C(N)=O)o2)cccc1[N+](=O)[O-]	748680871	KOPIUITXEHQBCC-UHFFFAOYSA-N	304.262	1.352	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=C1C[C@H](C)n2ncnc21	841611425	RHZNNOBMRILTEI-UWVGGRQHSA-N	317.324	1.670	50	20	DDGD	
CC[C@@H](Oc1ccccc1C)C(=O)NNC(=O)c1c[nH]nc1C	749381319	GCXFUIJQTUMMEZ-CYBMUJFWSA-N	316.361	1.645	50	20	DDGD	
COCCn1cc(C=NNC(=O)c2cc3c(s2)CCC3)cn1	743426451	HEXHQAKQVAGKIR-UHFFFAOYSA-N	318.402	1.844	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1=Cc2ccccc2OC1	843644979	PXAWFECQJIUTQO-ZWNOBZJWSA-N	302.330	1.035	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)c1cccc(NC(C)=O)c1	748254223	XALBSKKDHXLZNJ-LBPRGKRZSA-N	321.377	1.537	50	20	DDGD	
CC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)c1cn(C)nc1C	917540383	MTVSGSQRAXVMMA-UHFFFAOYSA-N	316.321	1.373	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H]1CCCC12OCCO2	912633223	IVTZVYLZDJKWED-NRMKIYEFSA-N	314.341	1.711	50	20	DDGD	
CC[C@@H](Oc1ccccc1Cl)C(=O)NN(C)C[C@H](C)O	910161725	AGOMKIKVURWYRO-CMPLNLGQSA-N	300.786	1.841	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)O[C@H]1CCOC1	914306937	BHKILZKCNBGFCT-VIFPVBQESA-N	312.347	1.031	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1(c2ccccc2F)CC1	843654127	ZGQPEDNFGFMZRP-QWRGUYRKSA-N	306.337	1.430	50	20	DDGD	
O=C(NNC(=O)c1cn2cccnc2n1)NC1CCCCC1	917907158	UJBKVAZRQCRSQR-UHFFFAOYSA-N	302.338	1.006	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1cccc2c1OC(F)(F)O2	842548796	CDPBODSDQWRHTJ-SCZZXKLOSA-N	312.272	1.883	50	20	DDGD	
COCCCOC1CCN(C(=O)NNC(=O)C(C)(C)C)CC1	743598958	PWJSIZSUHFKQLC-UHFFFAOYSA-N	315.414	1.291	50	20	DDGD	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)NN(C)C[C@H](C)O	910158467	WKGWTUZINXNJFZ-NSHDSACASA-N	318.373	1.830	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc2c1CCCC2	843661927	QZZVZKCNEXBWCI-WCQYABFASA-N	302.374	1.751	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)NCCc1cccs1)c1cnn(C)c1	749923723	MOTJYBYJDQMYPN-SNVBAGLBSA-N	321.406	1.158	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](C)[C@@H]1CCCNC1	841927995	QBQMOLXGLNODOB-CHWSQXEVSA-N	304.394	1.327	50	20	DDGD	
CC[C@H](C)NC(=O)CCNC(=O)NNc1cc(F)ccc1F	914268435	ADCLNTWBCQJTQT-VIFPVBQESA-N	314.336	1.896	50	20	DDGD	
CC1(NC(=S)NNC(=O)COc2ccc(F)cc2)CCC1	840700959	HFLRPNKBJFXXFF-UHFFFAOYSA-N	311.382	1.642	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2cccc(C(C)(C)C)c2)CC1	848374609	IYYONDGWZSLPDE-UHFFFAOYSA-N	318.421	1.586	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cc(C)c(C)cc2O)n1	741755453	FHYCPNBSVVWZEX-UHFFFAOYSA-N	300.362	1.973	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H](C)Oc2ccccc2F)n(C)n1	841612049	DPSZMFUTJSLLCN-LLVKDONJSA-N	304.325	1.785	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	921166742	NXKZANYHLCVDST-LBPRGKRZSA-N	315.373	1.839	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)C(F)(F)c1nccs1	757660894	JAEYKGAWRLLENA-UHFFFAOYSA-N	305.697	1.822	50	20	DDGD	
CCC1(C(=O)NNC(=O)COc2cc(C)ccc2C)COC1	755036218	QYIWUYOXROBVEV-UHFFFAOYSA-N	306.362	1.256	50	20	DDGD	
CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cc(C)ccc1C	920384152	ISSSADOLJZHROS-CYBMUJFWSA-N	323.418	1.514	50	20	DDGD	
CNC(=S)N(C)NC(=O)C1(c2ccc(C)c(OC)c2)CCC1	854926125	RRAYDDRPJWEIFR-UHFFFAOYSA-N	321.446	1.893	50	20	DDGD	
C[C@H]1CCSCCN1C(=O)NNC(=O)c1cccc(F)n1	852710436	PKMSRVQSWDULFC-VIFPVBQESA-N	312.370	1.403	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C	859302677	CGCQODZSKMTPAN-MIJXAVMKSA-N	306.362	1.516	50	20	DDGD	
CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1F	920382407	XGSZGNMPXIFSRU-JTQLQIEISA-N	313.354	1.036	50	20	DDGD	
CN(C)C(=O)OCCNC(=O)/C(C#N)=C/c1ccc(O)cc1	855647922	MTOOFYLZOGHPTF-FMIVXFBMSA-N	303.318	1.114	50	20	DDGD	
Cc1ncc(CCNC(=O)NNc2ncc(Cl)cn2)s1	856878826	CFOSXMUOLMKQFH-UHFFFAOYSA-N	312.786	1.764	50	20	DDGD	
CC[C@@H](O)CNC(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C	855742109	LDVXRJONMAUZMJ-HTRKUNOGSA-N	319.405	1.545	50	20	DDGD	
O=C(C[C@H](O)c1ccc(Cl)cc1)NNC(=O)CC(F)(F)F	855000376	HEDLZPSXZNNKMB-VIFPVBQESA-N	324.686	1.863	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2	854929260	CSCKKGSQMHBNIP-SSDOTTSWSA-N	324.431	1.200	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CN2CCCC2=O)c(C)n1C(C)C	920433523	HCXBYOIKQWFLNK-UHFFFAOYSA-N	320.393	1.069	50	20	DDGD	
COCC1(C(=O)NC[C@@]2(C)C[C@@H]2Br)CCOCC1	857389003	XEQSWCCJGJCWSM-CMPLNLGQSA-N	320.227	1.719	50	20	DDGD	
CC(C)(C)N1CC[C@H](NC(=O)NNc2ncc(Cl)cn2)C1	856919415	BJDLPORBLPNIRC-JTQLQIEISA-N	312.805	1.629	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=C1C[C@H](C)N(C2CC2)C1	753955884	RIEQEXFQTKKHOS-KBPBESRZSA-N	306.454	1.837	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C[C@H]1CCC[C@H]1C	854283774	KBJZRQVUKFYFRV-VXGBXAGGSA-N	301.456	1.687	50	20	DDGD	
O=C(NN=C[C@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)NC1CC1	853282898	VJMANMLCNWBZEA-DTWKUNHWSA-N	305.300	1.736	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCn2cncc2C1	855622785	LOWKKKNLUTXYJB-SECBINFHSA-N	319.296	1.636	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)N[C@H]1C=CCC1	852510693	SAGPIVVLORHMPZ-JTQLQIEISA-N	307.375	1.533	50	20	DDGD	
C[C@H]1C[C@H](c2ccccc2)N(C(=O)c2ccc(B(O)O)cc2)C1	868314401	UKJGTMWXJCCSIP-SUMWQHHRSA-N	309.174	1.590	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(OC)c(OC)c1	863145795	MRCHASQCUQYECM-LBPRGKRZSA-N	319.361	1.213	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H]2CCc3n[nH]cc3C2)c1	862478516	IJPQGTVNQDPHMN-SECBINFHSA-N	304.375	1.346	50	20	DDGD	
CCO[C@H](CC(=O)NNC(=O)Cc1ccc(F)cc1)C(C)C	760301664	PSZHNPPZRUGUOO-CQSZACIVSA-N	310.369	1.967	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H]2CCN(Cc3ccccc3)C2)cc[nH]1	862514261	WBFIJVKAHRJEDH-MRXNPFEDSA-N	310.401	1.777	50	20	DDGD	
COCC(=O)NN=Cc1cnn(Cc2ccccc2Cl)c1	761817406	IXLVQKRTQAVNJY-UHFFFAOYSA-N	306.753	1.681	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1cnn(-c2ccccc2)n1	769227882	NKXNZMRYLIBSEK-UHFFFAOYSA-N	318.406	1.175	50	20	DDGD	
C[S@](=O)Cc1ccccc1NC(=O)NNC(=O)CC1CC1	762928392	LGZFAUQFKQHNKV-NRFANRHFSA-N	309.391	1.518	50	20	DDGD	
COC1(C(=O)NNC(=O)Cc2cccnc2)CCCCCC1	931967442	DIUKYUGRBVCNRQ-UHFFFAOYSA-N	305.378	1.511	50	20	DDGD	
CC(C)n1nnc(NC(=O)NC[C@]2(C)C[C@@H]2Br)n1	933456720	QOLVIAQMUVXEEP-XVKPBYJWSA-N	317.191	1.549	50	20	DDGD	
NC(=O)C(=O)NN=C1CCCc2c(Cl)sc(Cl)c21	760226226	QRTYHSRGVVMYGR-UHFFFAOYSA-N	306.174	1.697	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CC[C@H](C)c2ccccc2)n[nH]1	869014927	MHBXELBJJQBBOL-LBPRGKRZSA-N	314.389	1.992	50	20	DDGD	
Cc1cc(=NNC(=O)Nc2ccn(CC(F)(F)F)n2)cc[nH]1	860807461	YTRUKHCQHNBRLH-UHFFFAOYSA-N	314.271	1.719	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NN1Cc2ccccc2C1=O	867381933	NQUOTVSNFXEBMU-UHFFFAOYSA-N	316.810	1.742	50	20	DDGD	
O=C(NNC(=S)NCc1ccon1)c1cc2c(s1)CCC2	764438855	PTJSGKVPKJDZBE-UHFFFAOYSA-N	322.415	1.534	50	20	DDGD	
C[C@H](NNC(=O)COc1ccccc1[N+](=O)[O-])C(F)(F)F	862303216	MSJACDSXIMBAMC-ZETCQYMHSA-N	307.228	1.545	50	20	DDGD	
CON(C)C(=O)[C@@H](C)NC(=O)[C@H](Br)C(C)(C)C	863708679	OQCCGLVUNRNVMP-SFYZADRCSA-N	309.204	1.321	50	20	DDGD	
C[C@H](CNC(=O)NNc1ncncc1F)CC1(C)OCCO1	868858185	CLJGARZAOGXQFL-VIFPVBQESA-N	313.333	1.031	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)c2cccc(C#N)c2)c(C2CC2)n1	865164628	KWSWRWDMWAXLRJ-UHFFFAOYSA-N	323.356	1.727	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=C(C)c1ccnn1C	765994578	XJDKTFZAMAVMBJ-UHFFFAOYSA-N	300.362	1.902	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNC(=O)CSc1ccc(C)cc1	864504637	LSQNSADYYQEEMD-ZDUSSCGKSA-N	323.418	1.149	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Cc2ccc(O)cc2)c1O	760123139	QPIDDHAEPBUOGF-UHFFFAOYSA-N	316.313	1.110	50	20	DDGD	
Cc1cc(NNC(=O)c2sc([C@H]3CCOC3)nc2C)ncn1	878857802	YXEAJHCSBIXRHN-JTQLQIEISA-N	319.390	1.811	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@](C)(O)C2CC2)c1	874951533	DNNOIZINWMGUHF-HNNXBMFYSA-N	303.387	1.147	50	20	DDGD	
CCC(=NNC(=O)[C@@H](C)OCCOC)c1ccc(C#N)cc1	773058283	MNCWKAZUFOILQK-GFCCVEGCSA-N	303.362	1.840	50	20	DDGD	
Cc1ncccc1CC(=O)NNC(=O)c1cc(Cl)ccc1O	1117335960	SNFAXRVYOGQQJL-UHFFFAOYSA-N	319.748	1.753	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)OC[C@H](C)CBr)C1	770393053	UYBCJMAAJDPQOO-SKDRFNHKSA-N	306.200	1.819	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1[C@@H](C)[C@@H](OC)C1(CC)CC	771433658	IKDRXXANSQNTBO-RAIGVLPGSA-N	315.414	1.193	50	20	DDGD	
O=C(CCc1cccc2c1OCO2)NNC(=O)CC(F)(F)F	770220133	CDQWSAUEBZWLIT-UHFFFAOYSA-N	318.251	1.448	50	20	DDGD	
C[C@H](NNC(=O)c1ccc(C2OCCO2)cc1)C(F)(F)F	1118882865	VTUGKGAOLGWOIE-QMMMGPOBSA-N	304.268	1.917	50	20	DDGD	
O=C(CO[C@@H]1CCOC1)NNc1ccc([N+](=O)[O-])cc1Cl	1116344491	YAFCCFQRFZQICX-SECBINFHSA-N	315.713	1.497	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NNc2nc3ccccc3c(=O)n2C)C1	776476753	NRRZVWQHHRMPIP-MNOVXSKESA-N	300.362	1.813	50	20	DDGD	
CCO[C@H](C)c1ncc(C(=O)NNc2nnc(C)c(O)n2)s1	1116144775	CVQAWIUJJGFYHC-SSDOTTSWSA-N	324.366	1.197	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=S)Nc1ccccc1OC	873770994	GUHLTDKAUPMARJ-UHFFFAOYSA-N	311.407	1.828	50	20	DDGD	
Cc1c[nH]cc(C(=O)NN=c2sc3ccccc3n2C)c1=O	777794503	UIVNNZTUVRFYHW-UHFFFAOYSA-N	314.370	1.482	50	20	DDGD	
N#Cc1ccc(NNC(=O)N[C@@H]2CCN3CCCC[C@H]23)nc1	887791184	FUGXTMPKOKNMHD-CHWSQXEVSA-N	300.366	1.206	50	20	DDGD	
CCC(C)(C)NC(=S)NNC(=O)c1cccc(OC)c1O	774165661	VWJDEZYPOLCPRK-UHFFFAOYSA-N	311.407	1.698	50	20	DDGD	
COc1ccc([C@H](OC)[C@@H](C)NC(=O)NNC(=O)C(C)C)cc1	772075027	MRBRYAOSWXGILP-BXUZGUMPSA-N	323.393	1.758	50	20	DDGD	
CN(NC(=O)COc1ccc2oc3c(c2c1)CCCC3)C(N)=O	778413984	ABKFDQLGHMPVQK-UHFFFAOYSA-N	317.345	1.732	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(Br)cn1	887142881	DGGIPGRIYIHHMG-UHFFFAOYSA-N	310.151	1.409	50	20	DDGD	
O=C1OCCN1Cc1cn(/C(Cl)=C\CBr)nn1	881310369	IAVLNQKFUZTJOB-QPIMQUGISA-N	321.562	1.662	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CCN(C)C(C)(C)C1	883416682	BMSDIBJGTQATOF-UHFFFAOYSA-N	304.394	1.375	50	20	DDGD	
CN(C)CCn1cc(C(=O)NNc2ccc(F)c(F)c2)cn1	885114056	RMOLSWNFYBXKPS-UHFFFAOYSA-N	309.320	1.480	50	20	DDGD	
C[C@@]1(C(=O)NNc2ccccc2S(C)(=O)=O)CCCOC1	781347287	RSDWMKRKNJECAJ-CQSZACIVSA-N	312.391	1.350	50	20	DDGD	
COc1ccncc1NC(=O)C(=O)NNc1ncccc1Cl	784821429	RZTIMCKIMNBREH-UHFFFAOYSA-N	321.724	1.220	50	20	DDGD	
CC(C)(C)C(=O)N=c1cc[nH]cc1C=NNC(=O)C1CCC1	783842565	MVKFNHJRMFRXJC-UHFFFAOYSA-N	302.378	1.738	50	20	DDGD	
CCOCC(=O)NN=C(C)c1ccc(N2CCNC2=O)cc1	782231812	SPKRKESRHXTLEU-UHFFFAOYSA-N	304.350	1.093	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1	780928115	MDHAKFVPJDWRMM-UHFFFAOYSA-N	309.297	1.681	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC(c2nc[nH]n2)CC1	787419691	YUMOPTRIPAAGEL-ZROIWOOFSA-N	323.356	1.823	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@@H]1CCOC2(CCC2)C1	895508179	BIEJNNUQRNNTPA-CYBMUJFWSA-N	320.364	1.865	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1c[nH]nc1-c1ccoc1	790060238	HUCNCFYFBNNPSL-UHFFFAOYSA-N	309.289	1.469	50	20	DDGD	
C[C@H]1CC[C@@H](CNC(=O)NNC(=O)c2cccc(C#N)c2)C1	792897656	DKKOHQSQBTYBSF-WCQYABFASA-N	300.362	1.938	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCC2Cc3ccccc3C2)n1	792948711	SSBDUXILCCTPNX-UHFFFAOYSA-N	324.384	1.749	50	20	DDGD	
COc1cccc(F)c1C(=O)NNc1nc2ccccn2n1	791243172	NVDRXWGMKWTBLI-UHFFFAOYSA-N	301.281	1.634	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H](C)NC(=O)c1cccs1	791216009	YMWGLBNIIHZIPC-SNVBAGLBSA-N	304.375	1.713	50	20	DDGD	
CCOc1ccc(C=NNC(=O)c2ccc(O)c(O)c2)c(O)c1	794558643	GKNUMLPZRQBCCD-UHFFFAOYSA-N	316.313	1.966	50	20	DDGD	
C[C@@H](C[C@@H]1CCOC1)NC(=O)NNc1nc2ccccn2n1	790426218	YGHGNYMAWZRURP-QWRGUYRKSA-N	304.354	1.171	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(Cl)ccc2O)ccn1	790489532	FJXLTAWFGNTOHW-UHFFFAOYSA-N	305.721	1.824	50	20	DDGD	
CCOC[C@@H](NCC(=O)NNC(=O)c1ccc(C)cc1)C(C)C	794600023	JTBFMFUIDFEVKO-OAHLLOKOSA-N	321.421	1.407	50	20	DDGD	
CS/C=C/C(=O)NNC(=O)c1cncn1-c1ccccc1	1318978136	WYOBQNLGSMOXSR-BQYQJAHWSA-N	302.359	1.510	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2ccc(C(C)(C)C)nn2)CCO1	1319712106	NMGSMJTXEYUPQV-GHMZBOCLSA-N	307.398	1.968	50	20	DDGD	
COc1cccc(C[C@@H](O)C(=O)NNc2ncccc2F)c1	1328262781	ZABPPOMZNCSEAW-CYBMUJFWSA-N	305.309	1.276	50	20	DDGD	
Cc1nc(N(C)C)sc1C(=O)NNC(=O)c1ccccc1F	1320143231	JPISQKRKMDZMRT-UHFFFAOYSA-N	322.365	1.731	50	20	DDGD	
COC(=O)C(=O)NN=Cc1c(-c2ccccc2)nn(C)c1Cl	1323495550	FVESQABHUDOBER-UHFFFAOYSA-N	320.736	1.364	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)Cc2c[nH]c3cnccc23)n1	1324266003	KPKIOWQLAVHGBZ-UHFFFAOYSA-N	317.740	1.274	50	20	DDGD	
O=C(NCCCOC(F)F)NNC(=O)c1ccccc1Cl	1321312149	SPOVJQSVULMBJT-UHFFFAOYSA-N	321.711	1.913	50	20	DDGD	
CCCN1CC[C@H](NC(=O)NNc2ccc(C(C)(C)C)nn2)C1	1327804703	VUTQPNAFSBDPNX-LBPRGKRZSA-N	320.441	1.885	50	20	DDGD	
CCCN1CC[C@@H](NC(=O)c2c(C)nn(CCCl)c2C)C1	1330966626	PKGWGARRAXYTFC-CYBMUJFWSA-N	312.845	1.953	50	20	DDGD	
C[C@]1(COC(=O)c2ccc(C(N)=O)nc2)C[C@H]1Br	1344036157	LQNAWTDYTHJQQQ-BXKDBHETSA-N	313.151	1.511	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C1CCNCC1)[C@@H]1C[C@H]2CC[C@H]1C2	1345130223	TVCHXQMKFHARDI-XWUBHJNHSA-N	308.426	1.141	50	20	DDGD	
COc1cc(F)cc(NC(=O)C(=O)NNc2ncccc2F)c1	1346592020	UPZZERPCUFBITA-UHFFFAOYSA-N	322.271	1.450	50	20	DDGD	
Nc1cnnc(NNC(=O)c2cncnc2C2CC2)c1Cl	1351242976	CGPVMNKTSJFKJS-UHFFFAOYSA-N	305.729	1.137	50	20	DDGD	
Cn1c(C(=O)O)ccc1C(=O)NNc1cc(F)cc(F)c1F	1600904510	ZEZKKDPBWPOUKY-UHFFFAOYSA-N	313.235	1.898	50	20	DDGD	
CCN(CCNC(=O)NNc1ccc(CC(=O)O)cc1)C(C)C	1605449045	MAUCPJVQHPRXOW-UHFFFAOYSA-N	322.409	1.670	50	20	DDGD	
Cc1c(NNC(=O)c2ccc3nncn3c2)cccc1C(=O)O	1600053943	AGSZFVQVRAHAPX-UHFFFAOYSA-N	311.301	1.493	50	20	DDGD	
O=C(CCc1ccc(C(=O)O)cc1)NNc1ccc(F)cn1	1601288287	HATXJDHXHSJVAK-UHFFFAOYSA-N	303.293	1.995	50	20	DDGD	
O=C(/C=C\c1cc(C(=O)O)co1)NNc1nc2ccccn2n1	1608285172	PJIZXVSFLSFBGO-PLNGDYQASA-N	313.273	1.177	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1ccc(C(=O)O)cc1F	1608479117	MYUPDTFWDAQICA-UHFFFAOYSA-N	306.253	1.319	50	20	DDGD	
O=C(COCc1cccnc1)NNc1cccc(F)c1C(=O)O	1601339580	UPVLZEHCLQLKDE-UHFFFAOYSA-N	319.292	1.579	50	20	DDGD	
O=C(O)c1cc(NNC(=O)[C@@H](O)c2cccnc2)ccc1F	1602286615	NNTNJGIEYKRFRW-LBPRGKRZSA-N	305.265	1.096	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1ccc(C)c(C(=O)O)c1	1610020286	WXQFWDOTUSIHIF-UHFFFAOYSA-N	309.322	1.273	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=CC[C@H](C)C(=O)O	1610561333	CEWQJHYYGMAJMM-JTQLQIEISA-N	302.334	1.558	50	20	DDGD	
C[C@@H]1[C@H](Cl)[C@@H]1CN[C@H]1CCC(=O)N(C)[C@H]1c1ccnn1C	1550667836	ASGIYVHABUQDNW-NCSKVMEWSA-N	310.829	1.545	50	20	DDGD	
CC(C)OC[C@H](N)C(=O)NNc1ccc(OC(F)(F)F)cc1	1575791195	WWJLZACYPFOGAL-NSHDSACASA-N	321.299	1.781	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@H](N)c2c(F)cccc2F)cc1	1580069509	AJYNWCNVXOVPCA-CQSZACIVSA-N	302.284	1.980	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cn[nH]c1	1847870813	KHKANJIQGMNBGN-AGIUHOORSA-N	324.812	1.633	50	20	DDGD	
NC1[C@H]2CCC[C@H]1CC(C(=O)NNC(=O)[C@@H]1CCCS1)C2	1580159772	DKAPFMUIGGXVDQ-ZTXIBQBTSA-N	311.451	1.183	50	20	DDGD	
C#CCCC(=O)N1CCCC12CN(C(=O)C(Cl)Cl)C2	1846999467	IHKADCXWPADFSG-UHFFFAOYSA-N	303.189	1.407	50	20	DDGD	
CCC(=O)C(=O)N1CCCC12CN(C(=O)C(C)(C)CCl)C2	1845970956	IAWSLGVZKDCYKZ-UHFFFAOYSA-N	314.813	1.434	50	20	DDGD	
C[C@@H]1C(=NNC(=O)c2ccc(CN(C)C)o2)CC[C@@H]1CC(=O)O	1594120424	IUPZRZQQNSWIMH-WDEREUQCSA-N	321.377	1.948	50	20	DDGD	
COc1cc(C(=O)O)ccc1/C=C(\C#N)C(=O)N1CCCC1	1776123098	XNKDJWLHRUBHGB-MDWZMJQESA-N	300.314	1.923	50	20	DDGD	
C[C@H]1C(=NNC(=O)c2cn3c(n2)CCCC3)CC[C@H]1CC(=O)O	1776105413	FVOBFAUDDRZWTK-MNOVXSKESA-N	318.377	1.826	50	20	DDGD	
C[C@H](Oc1ccc(C=NNC(=O)c2cccnn2)cc1)C(=O)O	1776103455	KATPVTJARWMTCU-JTQLQIEISA-N	314.301	1.092	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NC[C@@H](CC(=O)O)C1CC1	1776293745	NVSJZHNXDIGVCP-SNVBAGLBSA-N	311.831	1.672	50	20	DDGD	
O=C(Cc1cccnc1)NN=Cc1ccc(C(=O)O)c(F)c1	1776043214	XOQCQCIWSRLQQM-UHFFFAOYSA-N	301.277	1.612	50	20	DDGD	
CCCN(CC)c1ccc(C(=O)NNC(=O)NC(C)C)cn1	161520592	VINZZGUVJJNOHQ-UHFFFAOYSA-N	307.398	1.670	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)c2n[nH]cc2[N+](=O)[O-])nn1	161717691	FYLHGMYCAWAHCN-UHFFFAOYSA-N	305.298	1.162	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)CSc1ccc(C)cc1	158965009	LHMWCLOTNWCLCY-UHFFFAOYSA-N	310.419	1.907	50	20	DDGD	
CC(C)N(C)CC(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	151094935	IAGKRJHTNHYLRS-UHFFFAOYSA-N	321.406	1.239	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[nH]n1	153047412	JSGGQQUZTKHGOC-UHFFFAOYSA-N	323.696	1.355	50	20	DDGD	
COc1cc(/C=C(/C#N)C(N)=C(C#N)C#N)cc([N+](=O)[O-])c1O	207331075	MXGBEKBXVHFKJH-MBXJOHMKSA-N	311.257	1.476	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	154918234	VWKVOQGRGVKLIM-UHFFFAOYSA-N	304.306	1.342	50	20	DDGD	
CN(C[C@@H](O)COCc1ccccc1)S(=O)(=O)CCl	830614677	MXXPPAWUALRSKN-GFCCVEGCSA-N	307.799	1.022	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1ccc(N(C)C)nc1	109144473	XNYXYPBFGUKOKT-UHFFFAOYSA-N	314.345	1.231	50	20	DDGD	
CC(=O)NNC(=O)c1ccc(I)c(F)c1	104823977	INXMOEWTUNJNCJ-UHFFFAOYSA-N	322.077	1.211	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCOc1c(C)cccc1C	65205584	XWTKBPZJBTVLJD-UHFFFAOYSA-N	323.393	1.439	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)CCNC(=O)Cc1ccccc1	103198516	VVABSQMBBOBEIK-UHFFFAOYSA-N	319.405	1.319	50	20	DDGD	
Cc1cc(C(=O)NNc2ncccn2)nn1-c1ccc(F)cc1	179817118	XUCJFRRBBIVLLA-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
COCCCNC(=O)NNC(=O)C[C@@H](C)c1ccccc1F	102637956	FOMKVPYTRZCBSW-LLVKDONJSA-N	311.357	1.686	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@@H]2CCCO2)ccc1OC(C)C	28632405	RIRSGNWNHMTLME-ZDUSSCGKSA-N	322.361	1.422	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NC1CCN(Cc2ccncc2)CC1	55008318	FKLLIULHFVZKOS-NTCAYCPXSA-N	314.389	1.606	50	20	DDGD	
Cc1cccc(-n2cc(C(=O)NNC(=O)CC(C)(C)C)nn2)c1	103197058	IABXBKMYXGJPBT-UHFFFAOYSA-N	315.377	1.773	50	20	DDGD	
CS[C@H](C)C(=O)NNC(=O)NCc1ccc(Cl)cc1	112729324	JVIPICOWOBTZCS-MRVPVSSYSA-N	301.799	1.922	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)nn1	176792816	OURZWMCJKJPRST-GXTWGEPZSA-N	307.398	1.862	50	20	DDGD	
O=C(CSC[C@@H]1CCCCO1)NNC(=O)c1ccccc1	171172982	CSWSYYQZFZRNCQ-ZDUSSCGKSA-N	308.403	1.750	50	20	DDGD	
C[C@H](NC(N)=O)C(=O)NN=C(c1ccccc1)c1ccccc1	66278286	XWGQXKRJZHBKNM-LBPRGKRZSA-N	310.357	1.612	50	20	DDGD	
CCc1ncc(C(=O)NNC(=O)c2ccc(C#N)cc2)s1	61462324	WROZXKVXUYDQJK-UHFFFAOYSA-N	300.343	1.652	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CCc2cscn2)n1	177666207	DUBJEAHMBYKAQQ-UHFFFAOYSA-N	320.422	1.855	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC1(c2ccccc2C)CC1	66703011	WNCQEJDIEDEQRN-UHFFFAOYSA-N	305.378	1.394	50	20	DDGD	
CCCc1cc(C(=O)NNc2ccc(C(F)(F)F)nn2)[nH]n1	124288707	RALFFYOXCWIXIX-UHFFFAOYSA-N	314.271	1.928	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCN(c2nc(C)cc(C)n2)CC1	128370967	KWLMYSCQFZXHLR-KAMYIIQDSA-N	315.377	1.186	50	20	DDGD	
O=C(NNC(=O)[C@H]1Cc2cc(F)ccc2O1)c1ccccc1O	175068712	BBTWQPIDVYUHIF-CQSZACIVSA-N	316.288	1.296	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](C(=O)NNC(=O)NCc2ccco2)C1(C)C	129888441	SQUFHHVFKZPQRU-NWDGAFQWSA-N	307.350	1.361	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)no1	122765095	LGMMMWBREMBSQZ-UHFFFAOYSA-N	305.250	1.358	50	20	DDGD	
O=C(C[C@@H]1CCNC1)NNc1nc(-c2ccc(Cl)cc2)no1	129356031	WGTUKRSPSFRMBQ-VIFPVBQESA-N	321.768	1.833	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2ccccc2F)c1	70922403	QKHCXIQTHCFKCF-UHFFFAOYSA-N	317.320	1.707	50	20	DDGD	
CCC[C@@](C)(O)C(=O)NNc1cccc(S(C)(=O)=O)c1	182152729	GYVXBHQOYPKZAZ-CYBMUJFWSA-N	300.380	1.084	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2c(C)cccc2F)o1	187016396	ZZSHEMBTESZMSR-UHFFFAOYSA-N	312.322	1.659	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1cc(F)c(F)cc1F	185036254	BQJHWXIHHDZVPJ-UHFFFAOYSA-N	324.262	1.894	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)c2ccc(CCCCl)cc2)CCN1	187155101	MYRHOHBYJQLBGN-GFCCVEGCSA-N	316.854	1.840	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)Cc2ccccc2F)c1	181140212	KOZNNQDCVFEORD-UHFFFAOYSA-N	322.361	1.915	50	20	DDGD	
Cc1ncccc1NC(=O)C(=O)NNc1ccc(F)cc1F	131284891	FMROVOJKJVGLBK-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
C[C@@H]1CCC[C@@H](NC(=O)NNc2ccc(-n3cccn3)nn2)C1	47035169	MYKHLYBIPSJEGN-VXGBXAGGSA-N	315.381	1.867	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccc(OCC(F)(F)F)cc1	46124903	VQGSVRLQVPDGMQ-UHFFFAOYSA-N	302.252	1.799	50	20	DDGD	
CCn1nccc1C(=O)NNC(=O)CCCc1ccccc1	130583699	JDILPOJMAHAULM-UHFFFAOYSA-N	300.362	1.687	50	20	DDGD	
O=C(NCCc1ccccn1)NNc1cccc([N+](=O)[O-])c1	42963660	CVCQQWXMYGXYHM-UHFFFAOYSA-N	301.306	1.859	50	20	DDGD	
Cc1c(C(=O)NNc2ncccn2)cnn1-c1ccccc1F	44717008	VXCZMDDILPRAAW-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
O=C(NNc1ccccc1F)c1cc(N2CCOCC2)ccn1	190246540	QFPKHAQJAMJSQU-UHFFFAOYSA-N	316.336	1.814	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2ccccc2F)cn1	137247185	PDXROEMFMFSMMN-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCC(=O)c1ccc(C)cc1	41961698	UXGXAVRRYAUXPO-UHFFFAOYSA-N	305.403	1.639	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)/C=C\c2ccc3c(c2)OCO3)o1	255313728	OUISNNKBFLXWGQ-DAXSKMNVSA-N	314.297	1.791	50	20	DDGD	
C[C@@H](CNC(=O)NN(C)c1ccccc1)CN1CCOCC1	267859875	AASAECAMRBERMK-AWEZNQCLSA-N	306.410	1.305	50	20	DDGD	
CCn1nc(C)c(S(=O)(=O)NNC(=O)c2ccccc2)c1C	266075932	MGCCWPHJDTZLHF-UHFFFAOYSA-N	322.390	1.143	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C2CC=CC2)cc(OC)c1OC	265762564	GUQQPSNRSJJFFX-UHFFFAOYSA-N	320.345	1.440	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)Cc1ccco1	268732996	UKPVAQUNPPBLGJ-UHFFFAOYSA-N	318.329	1.447	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H](C)n1cccn1)c1ccccc1	264727708	WGWNQAIVEWPRNK-TZMCWYRMSA-N	300.362	1.785	50	20	DDGD	
CCn1nc(C)c(S(=O)(=O)NNC(=O)CC(C)(C)C)c1C	266114326	WULJHRPVJPQXCG-UHFFFAOYSA-N	316.427	1.266	50	20	DDGD	
O=C(CS[C@H]1CCS(=O)(=O)C1)NNc1cccc(F)c1	269586331	NFFYBGMZMQTYKW-NSHDSACASA-N	318.395	1.189	50	20	DDGD	
CCC[C@H]1C[C@H](C(=O)NNc2ccc(C(=O)OC)cn2)CCO1	272661833	HTRDCWSBEDFHLA-YPMHNXCESA-N	321.377	1.907	50	20	DDGD	
O=C(NNC(=O)c1ncccc1C(F)(F)F)NC1CCCC1	271246621	GLFCIRDULHYTHQ-UHFFFAOYSA-N	316.283	1.987	50	20	DDGD	
CC(C)[C@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2F)CCO1	271504914	LDQSLUBGJGAKNB-BXUZGUMPSA-N	323.368	1.973	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)Nc2c(C)noc2C)cc1	273299382	AZKXANRFTGVJPF-UHFFFAOYSA-N	318.333	1.832	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCOC[C@]12CCOC2	367024120	OKKWVIAJJZLZOD-GXFFZTMASA-N	320.227	1.814	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)c2cnc3c(c2)NC(=O)CO3)c1	369752473	BGYSUUUACANSPY-UHFFFAOYSA-N	312.329	1.786	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H]1CCCN1Cc1ccc(F)cc1	271244087	BSNAIKZEQFGMPP-CQSZACIVSA-N	322.384	1.483	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)C(C)(C)C)c(F)c1	271377735	JWBNSUPYQDOFMH-UHFFFAOYSA-N	311.313	1.811	50	20	DDGD	
C=C(C)[C@@H](CC(=O)NNC(=O)COCc1ccccc1)OCC	270093563	XZGGRRGHUJDUGV-OAHLLOKOSA-N	320.389	1.722	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)NCC(F)(F)F	270646688	PPGGHSOMNNCECT-UHFFFAOYSA-N	323.296	1.377	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNc1cccc(C(=O)OC)c1	272781698	FUZNJWMVDPAHQU-UHFFFAOYSA-N	323.349	1.443	50	20	DDGD	
O=C(NNC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)C1CCC1	271017921	NNTGYGUJTUGULM-LLVKDONJSA-N	317.172	1.974	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC[C@](COC)(C(=O)OCC)C1	281223172	FEFFSBBYKRFHJL-ISBHARSQSA-N	324.377	1.249	50	20	DDGD	
CC(C)[C@H]1NCC[C@H]1C(=O)NNc1nc(-c2ccccc2)no1	289867785	GUTSBIITEFJFBJ-CHWSQXEVSA-N	315.377	1.814	50	20	DDGD	
O=C(NNC(=O)c1ccc(C2CCCC2)cc1)C(=O)NC1CC1	289443424	ZHADKDUBXHIECW-UHFFFAOYSA-N	315.373	1.384	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNC(=O)Nc1ccc(OC)cc1	802059458	ZUNRDJRSAPRWPS-UHFFFAOYSA-N	317.349	1.458	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	295520511	MIPWGIVCKJTDBS-SNVBAGLBSA-N	319.770	1.805	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2cccc(C#N)c2)sn1	806984341	IOGFRSUAMMCCOP-UHFFFAOYSA-N	301.331	1.405	50	20	DDGD	
COc1ccccc1C1(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)CC1	294031574	XMNMRASBDAHANY-FZMZJTMJSA-N	318.373	1.442	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNC(=O)Nc2ccccc2)c1C	294503976	BQUIIHVRQMLPKT-UHFFFAOYSA-N	315.377	1.915	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)C(C)(C)c2ccccc2F)O1	293959853	QXQNMZSLIKSJOU-GWCFXTLKSA-N	308.353	1.818	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCc1ccnc(N2CCCC2)c1	298693367	AMBXHTNFEJCIMY-UHFFFAOYSA-N	319.409	1.558	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H](C)c2cnn(C)c2)cc1	802056647	WWISQSJOGXNANR-JTQLQIEISA-N	317.349	1.385	50	20	DDGD	
CCC[C@@H](CNC(=O)NNC(=O)c1ccccc1OC)OC	296744059	VOBYPWVLHGQGSG-NSHDSACASA-N	309.366	1.454	50	20	DDGD	
CNC(=O)NCCC(=O)NNc1c(Cl)cccc1Cl	293665905	JBVQPARSNZAZKH-UHFFFAOYSA-N	305.165	1.756	50	20	DDGD	
Cn1cc(-c2nn(C)cc2C(=O)NNc2cccc(F)n2)cn1	804769528	IAYKLQDGKGYNAB-UHFFFAOYSA-N	315.312	1.112	50	20	DDGD	
C[C@H](CBr)CN1CCC[C@H](S(C)(=O)=O)CC1	800459827	DUYHDNUWNKQSCN-MNOVXSKESA-N	312.273	1.917	50	20	DDGD	
C[C@H]1CN(CCOC(=O)/C(C#N)=C/c2ccc(O)cc2)CCO1	800180227	ZDWSEWISDXDCFT-LERPTODRSA-N	316.357	1.563	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)O1	294250535	NYBKCNACPDOWKN-VZLIPTOUSA-N	306.337	1.644	50	20	DDGD	
CC(C)CO[C@@H](C)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	802119210	BLTVBQBXMQUJKO-LBPRGKRZSA-N	322.409	1.966	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)N[C@@H]1CCCc2ccccc21	297422366	RVHRKZPRZXFFGM-CABCVRRESA-N	317.389	1.964	50	20	DDGD	
COc1nccnc1NNC(=O)c1c(C)nsc1NC1CC1	293823720	VESJRTAJXLNQLR-UHFFFAOYSA-N	320.378	1.581	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cc(C3CC3)n(C)n2)n1	290578920	NQMFWZFIFMULIY-UHFFFAOYSA-N	303.326	1.245	50	20	DDGD	
CN(C)c1ccc(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)cn1	803434315	BSUKIWMFWRGAEH-UHFFFAOYSA-N	323.356	1.746	50	20	DDGD	
CN(c1ccccc1)c1ccc(C(=O)NNc2nc[nH]n2)cn1	816631692	AMQQQCZVCHFZLN-UHFFFAOYSA-N	309.333	1.725	50	20	DDGD	
Cc1nc(COc2ccc(C(=O)NN(C)C3CC3)cc2)no1	819643726	MLKXEOHEJRROEH-UHFFFAOYSA-N	302.334	1.696	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H]1C[C@@H](c2ccccc2)OC1=O	813426278	UQJADZGWDDTJQL-NEPJUHHUSA-N	305.334	1.031	50	20	DDGD	
COCCN(C)NC(=O)c1ccn(-c2ccccc2Cl)n1	816562749	XSFLSYNHWNBBTK-UHFFFAOYSA-N	308.769	1.749	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1cccc(C2CCC2)c1	812978755	BSTBWFPWEZPLLE-UHFFFAOYSA-N	303.362	1.696	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1ccccc1OC1CC1	813573864	JKXZVCVDYASAEW-UHFFFAOYSA-N	312.329	1.511	50	20	DDGD	
CC(C)Oc1cc(C(N)=O)ccc1NC(=O)NNC(=O)C(C)C	817347729	OWNCUGVYBZARIJ-UHFFFAOYSA-N	322.365	1.381	50	20	DDGD	
CCOc1ccc(NNC(=O)CC[C@]2(C)CCC(=O)N2)cc1	817915084	BIMVWHXWKIIFLI-INIZCTEOSA-N	305.378	1.977	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	813427704	KOGBLKNNHKTOHC-UHFFFAOYSA-N	321.120	1.818	50	20	DDGD	
C[C@@H]1OC(=O)N[C@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	819747184	MHOVGWMOPKLOOZ-RNHFCUEFSA-N	305.121	1.328	50	20	DDGD	
O=C(NN=Cc1nc2c(s1)CCCC2)C(=O)N1CCCC1	814824733	IIIRFIPMJWJLLO-UHFFFAOYSA-N	306.391	1.094	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(OC(F)F)c(F)c1	814717892	CLXZOXJQGXOZNR-UHFFFAOYSA-N	319.308	1.722	50	20	DDGD	
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NNc1ncncc1F	817082058	JBPUCCFSBKDWLH-UHFFFAOYSA-N	320.284	1.347	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2cccc([N+](=O)[O-])c2)n1C	815850657	WSTGIIBAPAQWLH-UHFFFAOYSA-N	318.289	1.477	50	20	DDGD	
O=C(NC[C@H]1COc2ccccc21)NNc1cncc(Cl)n1	812444239	ZYGCJJMPHSAZHT-VIFPVBQESA-N	319.752	1.932	50	20	DDGD	
COCCOCCN(C)C(=O)[C@H](Br)C(C)(C)C	813883609	AZUXSXXRJVKZOI-JTQLQIEISA-N	310.232	1.917	50	20	DDGD	
CCn1nccc1/C=C(/C#N)C(=O)c1cccc(-c2nn[nH]n2)c1	825807794	WHABDTYIYLPECO-LCYFTJDESA-N	319.328	1.873	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H]1CCCN(C(N)=O)C1	725737550	ZKVSQDIKLTXLEL-VIFPVBQESA-N	323.305	1.300	50	20	DDGD	
CC(=O)N[C@@H]1CCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)C1	491163692	XQNWTCLVDFSKCG-XETPBLJFSA-N	301.321	1.470	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCC[C@@](C)(O)c2ccccc2)cn1	491109100	ZIUSDOCQSUNFJG-QWSHFYNQSA-N	324.384	1.741	50	20	DDGD	
Cc1cc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)c(=O)n(C)c1	491084989	PKXPOCBNXRFKNK-JYRVWZFOSA-N	309.325	1.945	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(OCC(F)(F)F)nc1	494471540	QJNAFIKWXLFWNO-UHFFFAOYSA-N	322.243	1.805	50	20	DDGD	
CSC(C)(C)C(=O)NNC(=S)NCCc1cccs1	820158890	AFBCLEBOPZFHKJ-UHFFFAOYSA-N	317.505	1.928	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccsc1C(F)F	829557396	FKJMNQHJCIOKSG-UHFFFAOYSA-N	304.318	1.873	50	20	DDGD	
CC(C)(C)CCC1(O)CC(C(=O)NNC(=O)Cc2cc[nH]n2)C1	823151936	IEFPYAPOQFBRQH-UHFFFAOYSA-N	322.409	1.067	50	20	DDGD	
CC(C)[C@@H]1CN(C)CCN1C(=O)/C(C#N)=C\c1cnn(C)c1	491159228	HZWCCTYCYLTMNI-GSHXUFRSSA-N	301.394	1.126	50	20	DDGD	
O=C(/C=C/[C@@H]1CCOC1)NNC(=O)Nc1cc(F)cc(F)c1	493617006	HIWXRRSJNHPMBL-GPYPMJJRSA-N	311.288	1.710	50	20	DDGD	
Cc1cc(NNC(=O)c2sccc2CN(C)C)nc(N)n1	828372575	ZUMWHZMPOQCWFM-UHFFFAOYSA-N	306.395	1.247	50	20	DDGD	
O=C1C[C@H](c2ccccc2)N(S(=O)(=O)CCl)CCN1	820787219	LUVUEZISSXEOCA-LLVKDONJSA-N	302.783	1.076	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)C1(C(=O)C2CC2)CC1	823208267	HAFMVAAPHRPUIE-UHFFFAOYSA-N	304.321	1.275	50	20	DDGD	
CCCCS(=O)(=O)CC(=O)NNc1ncc(F)cc1F	822243086	JBYUBOXDXFTDPY-UHFFFAOYSA-N	307.322	1.018	50	20	DDGD	
Cc1csc([C@H](C)NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n1	825885194	JYEGDIMRYDQSAB-AEJSXWLSSA-N	312.395	1.268	50	20	DDGD	
C=CCC1(C(=O)NNC(=O)Cn2nc(C)cc2C)CCCC1	823747785	KXNFHDIKBOBQBF-UHFFFAOYSA-N	304.394	1.784	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCc1ccc(C#N)c(F)c1	496111652	WVYCLWZQNHMLQU-UHFFFAOYSA-N	308.313	1.936	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCCOc1ccc(F)cc1F	823965870	VASVRXJWQBZKAQ-SNVBAGLBSA-N	302.321	1.468	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCCCCCN2CCCC2)cn1	491053493	YPNITNJAIRYTSS-LFIBNONCSA-N	315.421	1.709	50	20	DDGD	
C[C@H]1CCCCN1C(=O)NNC(=O)CNC(=O)c1cccs1	725872756	GPHKFBLAKHSZPN-JTQLQIEISA-N	324.406	1.093	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(C)c(NS(C)(=O)=O)c1	490752547	CNKBOUNEMPLUEK-LUAWRHEFSA-N	323.374	1.749	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)[C@]1(Cl)C[C@H]2CC[C@H]1O2	909546223	WMNWXESGXGFRHB-GMEUVTARSA-N	303.696	1.732	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(OC(C)C)c(C(N)=O)c1	496544111	BTDURAFPMVDFBU-UHFFFAOYSA-N	324.337	1.355	50	20	DDGD	
CCCCOc1ccc(C(=O)NN(C)[C@@H](C)CO)cc1OC	823988097	PJFALPFRQSUYOO-LBPRGKRZSA-N	310.394	1.832	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NN=Cc1ccc(F)cc1	491378105	IRHQOVNIJRTVQL-UHFFFAOYSA-N	324.356	1.984	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1ccc(NC(=O)C(C)(C)C)nc1	822203711	JOSLGXUMYQGLIZ-UHFFFAOYSA-N	306.366	1.483	50	20	DDGD	
C[C@@]1(C(=O)NCCNC(=O)c2ccco2)C[C@@H]1Br	905775122	ONZWLWNHCNPLIL-JOYOIKCWSA-N	315.167	1.299	50	20	DDGD	
CC(C)Cc1ccc(/C=C/C(=O)N2CC[C@@H](B(O)O)C2)cc1	585064724	IWGFLTIMZKKLBP-KXPUMZMLSA-N	301.195	1.974	50	20	DDGD	
CCN(CCO)NC(=O)CCc1cccc(C(F)(F)F)c1	823873455	BEDRFGPJWNUYJF-UHFFFAOYSA-N	304.312	1.983	50	20	DDGD	
O=C(NN=Cc1cn(Cc2ccccc2)nn1)[C@@H]1CCCCO1	901250244	NYNWEEGKXBDNAO-HNNXBMFYSA-N	313.361	1.346	50	20	DDGD	
CO[C@@H](C)CNC(=O)NNC(=O)COc1cc(C)ccc1C	821469030	GOJMTFCPTXHRME-LBPRGKRZSA-N	309.366	1.048	50	20	DDGD	
CC(C)CC1CCN(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CC1	827290660	XTBJATPGBZUFBB-TZMCWYRMSA-N	311.426	1.910	50	20	DDGD	
CCn1cc(C=NNC(=O)c2nnc(O)c3ccccc23)cn1	732527702	GOZGTAPVHIACOP-UHFFFAOYSA-N	310.317	1.316	50	20	DDGD	
Cn1cc2c(n1)CCCC2=NNC(=O)CNC(=O)OC(C)(C)C	497256055	BWJMPDKGQWVNLF-UHFFFAOYSA-N	321.381	1.101	50	20	DDGD	
CSc1cc2c(cc1NCc1ccc(B(O)O)o1)OCCO2	585034018	MGYNUEXCUPKOQM-UHFFFAOYSA-N	321.163	1.065	50	20	DDGD	
O=C(NNS(=O)(=O)c1cccc2cccnc12)C1CCCC1	734741556	KMSZRXQAPBOYDR-UHFFFAOYSA-N	319.386	1.735	50	20	DDGD	
C#C[C@@H](CC)NC(=O)NNC(=O)CCc1ccc(OC)cc1	491804073	KPGQMGVVYGEUDV-ZDUSSCGKSA-N	303.362	1.370	50	20	DDGD	
CCN(C[C@H](O)C(F)(F)F)C(=O)[C@]1(C)C[C@@H]1Br	907526888	ROWGZIKGFXOACQ-ACLDMZEESA-N	318.133	1.932	50	20	DDGD	
CCN1C[C@@H](C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)CC1=O	737111121	IDFDVECYSIUWEC-QMMMGPOBSA-N	322.273	1.067	50	20	DDGD	
O=C(N[C@H]1CC[C@H](c2ccccc2)C1)c1cccc(B(O)O)c1	584970013	KCONRAPWBRHAAI-YOEHRIQHSA-N	309.174	1.433	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)C2=COCC2)c1	734120589	WMASZTZILMXCCY-UHFFFAOYSA-N	318.373	1.949	50	20	DDGD	
Cc1nc(CC(=O)NNc2cc(C(F)(F)F)ccc2F)n[nH]1	831120681	XUGFBQCMBKJUPA-UHFFFAOYSA-N	317.246	1.957	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(C)cc1C	831763115	CPFYJXYWHQZFFQ-NEPJUHHUSA-N	321.377	1.890	50	20	DDGD	
C[C@@]1(C(=O)NCCCN2CCCCC2=O)C[C@@H]1Br	906599598	PKLKDAYUMMBMLH-GXFFZTMASA-N	317.227	1.679	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C[C@H]2C[C@H]3CC[C@H]2O3)c(O)c1	839550190	HEQNZNCOMOLTCT-JTNHKYCSSA-N	304.346	1.419	50	20	DDGD	
COC[C@@H](OC)C(=O)NNc1ccc(F)cc1Br	830771206	HIVBVDZWQQODOP-SNVBAGLBSA-N	321.146	1.693	50	20	DDGD	
O=C(NN=C1CCCS(=O)(=O)C1)c1ccc(O)c(Cl)c1	734093391	DFPPXPWFNXQSQZ-UHFFFAOYSA-N	316.766	1.340	50	20	DDGD	
CC[C@H]1C[C@H](C)CN1CC(=O)NNC(=O)c1ccc(C#N)cc1	839504997	NPKKQECPNXXXSB-WFASDCNBSA-N	314.389	1.440	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc(C(=O)O)c(F)c2)n1	832637230	MEUWEHHFGQVTBX-UHFFFAOYSA-N	306.253	1.079	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H](C)c1cc(F)ccc1OC	731281004	MGJVZKXTQRAHBL-SECBINFHSA-N	313.329	1.262	50	20	DDGD	
C[C@]1(C(=O)N2CC[C@@H](N3CCCC3)C2)C[C@@H]1Br	906524680	XZZCPWDIEARVTO-MDZLAQPJSA-N	301.228	1.857	50	20	DDGD	
CC[C@H](C)[C@@H](NC(=O)c1cccc(B(O)O)c1)C(F)(F)F	584982473	KYFRAKWVCGXURB-GZMMTYOYSA-N	303.089	1.073	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(-c2cccnc2)on1	833257478	WMZBUKNRIFALMP-GFCCVEGCSA-N	316.317	1.067	50	20	DDGD	
CCOC(=O)[C@H](CC(=O)NNc1ccc(F)cc1C)C(C)=O	830798136	WNSDJRYXMMPARM-GFCCVEGCSA-N	310.325	1.736	50	20	DDGD	
CC(C)(C)[C@@H](CC(F)(F)F)NCc1ccc(B(O)O)cc1F	585035849	ZVSRTEFCBUUGJX-GFCCVEGCSA-N	321.123	1.962	50	20	DDGD	
CC1(C)CCC[C@H]2CN(C(=O)c3ccc(B(O)O)cc3)CC[C@H]21	584995741	YKZVBRRKTAKRHF-GOEBONIOSA-N	315.222	1.655	50	20	DDGD	
Cc1nn(CCC(=O)O)c(C)c1C=NNC(=O)CCC(C)C	738923408	VLUSEPLNJOEUDG-UHFFFAOYSA-N	308.382	1.861	50	20	DDGD	
Cc1nc(CC(=O)NNc2ccc(OC(F)(F)F)cc2)n[nH]1	830792391	XQADXNZRAFJGIK-UHFFFAOYSA-N	315.255	1.698	50	20	DDGD	
O=C(NN=Cc1ncc(Br)s1)[C@H]1CCCCO1	834985901	PGTQNUASVGJNDP-SSDOTTSWSA-N	318.196	1.925	50	20	DDGD	
O=C(COCc1ccccc1)NN=Cc1cccc(O)c1O	737438936	PJYWMWNQJSONEG-UHFFFAOYSA-N	300.314	1.765	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)N[C@@H](C)[C@H](C)OC)cc1	836418685	OZCFCKXBLZWPQG-UWVGGRQHSA-N	310.354	1.454	50	20	DDGD	
O=C(NN=C1CCc2cc(F)c(F)c(F)c21)N1CCOCC1	834947268	DEYYUBVUOLTBPS-UHFFFAOYSA-N	313.279	1.796	50	20	DDGD	
Cc1cc(C(=O)OC[C@@H](C)CBr)ncc1C(N)=O	838176131	WAPWUOOKIPMYCQ-ZETCQYMHSA-N	315.167	1.677	50	20	DDGD	
CC(C)COc1ccccc1C=NNC(=O)C(=O)N1CCCC1	834949473	FGKYKMHSMURDOE-UHFFFAOYSA-N	317.389	1.794	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCl)C(=O)N1c2ccccc2C[C@H]1C	832545353	SRGISRYKKPAUCV-NXEZZACHSA-N	316.810	1.468	50	20	DDGD	
O=C(COc1ccc2c(c1)CCC2)NNC(=O)[C@H]1CCCCO1	833261078	LFPVKXZPLFMFGU-OAHLLOKOSA-N	318.373	1.271	50	20	DDGD	
CCn1nc(C2CC2)cc1C(=O)NNC(=O)c1cccc(F)n1	912733213	NSOGTWFOBSTDAZ-UHFFFAOYSA-N	317.324	1.389	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2C[C@@H](C)n3ccnc32)cc1	834934702	GOLMANNSMKXHDU-LLVKDONJSA-N	311.345	1.615	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H](c2ccccc2)n2cccn2)n1	748710975	JELZZJMTERVGPJ-CQSZACIVSA-N	324.344	1.414	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cnc2ccsc2c1	747324443	DOKLXPDQISBVNL-UHFFFAOYSA-N	312.354	1.695	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H](C[C@H]1CCCO1)C(F)(F)F	845323193	IYKLMSYUNXFDLF-RKDXNWHRSA-N	311.304	1.473	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccc(C#N)s2)cc1	749524556	XQYQQDVAWWKVQX-UHFFFAOYSA-N	314.370	1.801	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)CSCCC(C)C	740851331	ZFXUCJGRGAMPBR-UHFFFAOYSA-N	317.455	1.218	50	20	DDGD	
CC(=O)NNC(=O)Nc1nn(-c2ccc(F)cc2)c2c1CCC2	847212496	ARIPHQDTBLUGRK-UHFFFAOYSA-N	317.324	1.673	50	20	DDGD	
COc1ccccc1C1(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CC1	843648772	RRHINXQTGGMSMG-NEPJUHHUSA-N	318.373	1.299	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)NC2CCCCC2)c2ccccn12	741207038	MQBFKEAKBOFBED-UHFFFAOYSA-N	315.377	1.919	50	20	DDGD	
C[C@]1(C(=O)N2CC(O)(c3ccccc3)C2)C[C@@H]1Br	913539627	CVKMRRXYLWJABO-AAEUAGOBSA-N	310.191	1.890	50	20	DDGD	
CCC(=NNC(=O)Cc1cn2ccccc2n1)[C@@H]1CCOC1	747638139	MHYHCBZQKJCLFQ-GFCCVEGCSA-N	300.362	1.796	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1ccc(Cl)c(F)c1	843655005	LMVRHKVBUFZACQ-WPRPVWTQSA-N	314.744	1.594	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1coc(-c2ccccc2Cl)n1	910151652	HQZWFVJRHDHGQC-VIFPVBQESA-N	309.753	1.952	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@@H](CC(C)C)OC)c1O	842227351	QBGUEBMKGDLPAV-GFCCVEGCSA-N	310.350	1.223	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@H]1CCCC[C@@H]1CN	841952626	DDDPHCMLQZVQSL-CABCVRRESA-N	318.421	1.385	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)C2=C(C)OCCS2)cc1	846376373	YAMSZUMJFYDAGU-UHFFFAOYSA-N	322.386	1.840	50	20	DDGD	
Cc1nn(C)c2sc(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)cc12	843642960	LARMRAACOKWBLV-BDAKNGLRSA-N	322.390	1.129	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNc1ccc2c(=O)[nH]ccc2c1	846096746	AHYIBDMCSVQZSK-UHFFFAOYSA-N	316.361	1.134	50	20	DDGD	
CCC(=NNC(=O)c1c(C)nc2ccccn12)c1cnn(C)c1	741805901	VWJAOIUBGVKFLX-UHFFFAOYSA-N	310.361	1.920	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F	843650866	IAZUZJLQYSBBKB-MGAJZRQESA-N	324.327	1.641	50	20	DDGD	
CCc1ncsc1C(=O)NNC(=O)COc1ccccc1F	749886038	SBWIXTZZFHKBQJ-UHFFFAOYSA-N	323.349	1.685	50	20	DDGD	
CC(C)OCCC(=O)NNc1ncc(Br)cn1	848320833	YUNVXSJRTMJKAZ-UHFFFAOYSA-N	303.160	1.497	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2cccc(OCCN)c2)n1	841285677	KQBWEFFWTZYMKC-UHFFFAOYSA-N	316.365	1.580	50	20	DDGD	
O=C(COC1CCCC1)NNc1ncc(Br)cn1	848319692	BNUDTBZZTWXOTD-UHFFFAOYSA-N	315.171	1.641	50	20	DDGD	
Cn1nc(C2CC2)cc1CNC(=O)NNc1ncc(F)cc1F	927601823	QOPVDIMTXPZAIR-UHFFFAOYSA-N	322.319	1.797	50	20	DDGD	
COc1nc(N(C)C)sc1C=NNC(=O)NCc1ccco1	920829373	NPZJBADHEWOGFC-UHFFFAOYSA-N	323.378	1.644	50	20	DDGD	
CN(C)C1(CNC(=O)NNC(=O)c2c[nH]c3ccccc23)CC1	923016459	YSICOVQJAIBAGF-UHFFFAOYSA-N	315.377	1.206	50	20	DDGD	
CN1CC[C@H](C(=O)NC[C@]2(C)C[C@@H]2Br)CC1=O	857400869	WXJBMGNGKQYKEM-AUTRQRHGSA-N	303.200	1.145	50	20	DDGD	
COCCC1CCN(C(=O)NNC(=O)c2cccc(F)n2)CC1	858625227	QZZSZNYXGHJNCA-UHFFFAOYSA-N	324.356	1.324	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cc(C#N)ccc1F)C1CC1	855095045	HYNDKCMYJWGVCN-MRVPVSSYSA-N	306.366	1.605	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccccc1OC1CCCC1	920372748	BNRRVQFXHBAWSO-UHFFFAOYSA-N	317.389	1.983	50	20	DDGD	
Cn1nncc1NNC(=O)C1(Cc2cccc(F)c2)CCC1	857272819	HNQWCRNLTJNQMH-UHFFFAOYSA-N	303.341	1.810	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1csc([C@H]2CCCO2)n1	755504619	NJQHEWGGOZCEFB-LLVKDONJSA-N	309.391	1.946	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H](NC(=O)NNc2cc(F)cc(Cl)c2)C1	854121009	CCBXTNCRZRPFMJ-XCBNKYQSSA-N	314.748	1.759	50	20	DDGD	
COCC(=NNC(=O)c1csc(N2CCOCC2)n1)C1CC1	754258301	KLAPZOKJBKJWIF-UHFFFAOYSA-N	324.406	1.122	50	20	DDGD	
COC(=O)Nc1ccccc1C(=O)NNc1nccnc1OC	857539721	AKAGXIMDXXIDEG-UHFFFAOYSA-N	317.305	1.420	50	20	DDGD	
CS[C@H](C)CNC(=O)NNC(=O)c1cc2c(s1)CCC2	752225543	RKKWXUGVMNDGRH-MRVPVSSYSA-N	313.448	1.932	50	20	DDGD	
C[C@](O)(CC(=O)NNC(=O)CC(F)(F)F)c1ccccc1	855000464	INRDHHLUYKPSKQ-LBPRGKRZSA-N	304.268	1.384	50	20	DDGD	
O=C(NCC1CC=CC1)NNC(=O)c1ccc2c(c1)OCCO2	858718691	UVTUSYOYCAUJCQ-UHFFFAOYSA-N	317.345	1.368	50	20	DDGD	
CCS(=O)(=O)CCCNC(=O)NNc1cc(F)ccc1F	922908414	KKVRMAUDFBWCGM-UHFFFAOYSA-N	321.349	1.416	50	20	DDGD	
Cn1ncc2c(O)nc(NC[C@@]3(C)C[C@@H]3Br)nc21	856785481	JVRSFIIBUKYBHJ-WRWORJQWSA-N	312.171	1.654	50	20	DDGD	
C#CCN1CCC[C@H](NC(=O)/C(C#N)=C/c2ccc(F)cc2)C1	923584211	PHYVLQAQVUKTFQ-JMPLCFMRSA-N	311.360	1.946	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1ccc2c(c1)OCCCO2	755451310	BJMIZPDOGJWLBW-UHFFFAOYSA-N	316.317	1.643	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H](C)c2ccc(Cl)s2)nc1O	750231690	ASHDGBPRWQEEMA-YFKPBYRVSA-N	313.770	1.847	50	20	DDGD	
CCOc1ccc(C[C@@H](C)C(=O)NNC(=O)c2cc[nH]n2)cc1	855355191	RARLOBHJTXMXSD-LLVKDONJSA-N	316.361	1.448	50	20	DDGD	
CNC(=S)N(C)NC(=O)C1(CCOCc2ccccc2)CC1	854922878	UHPODNRSJAKUBG-UHFFFAOYSA-N	321.446	1.841	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1nc2c(s1)COCC2	756627305	HBZBDKHOTRKJAI-UHFFFAOYSA-N	324.284	1.321	50	20	DDGD	
COCCN1C[C@H](C(=O)NNc2ccc(C)c(F)c2)CC1=O	856231242	UFDSVQFQUKXJNB-LLVKDONJSA-N	309.341	1.072	50	20	DDGD	
Cn1nnc2c1C[C@H](C(=O)NNc1cc(F)cc(Cl)c1)CC2	855620467	VXYIKQOMYHQNAF-MRVPVSSYSA-N	323.759	1.856	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2NC(=O)CC23CCCCC3)cn1	854450943	ODHJSJKTSRLBOY-QPEQYQDCSA-N	313.361	1.293	50	20	DDGD	
C[C@]1(CNC(=O)[C@H]2CCc3nccn3C2)C[C@H]1Br	857385751	LPLFNZAEINDSCV-OPQQBVKSSA-N	312.211	1.735	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1n[nH]c2c1CCCC2)C1CC1	855101487	BVJNNGKYZISHBR-MRVPVSSYSA-N	307.423	1.196	50	20	DDGD	
Cc1nnc(O)c(C(=O)NC[C@]2(C)C[C@H]2Br)c1C	857401118	XUERLIJMCSTPCR-PELKAZGASA-N	314.183	1.702	50	20	DDGD	
CCS(=O)(=O)CCNC(=O)NNc1cc(F)cc(Cl)c1	853654905	YLPPFPDCOVRQKY-UHFFFAOYSA-N	323.777	1.540	50	20	DDGD	
CCOC(=O)[C@@H]1NCC[C@@H]1NC[C@@]1(C)C[C@H]1Br	857253519	ODFVRZZZAZOKNH-BTQIBKBOSA-N	305.216	1.043	50	20	DDGD	
CC1(C)Cc2cccc(C(=O)NNC(=O)c3cc[nH]n3)c2O1	855354597	DWOZZPUIBGVENU-UHFFFAOYSA-N	300.318	1.198	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ncc(C2CCCCC2)s1	757992473	AEUXWEMUSCAPNW-UHFFFAOYSA-N	312.395	1.990	50	20	DDGD	
CCOc1ccc(Cl)cc1C(C)=NNC(=O)[C@@H]1CCC(=O)N1	863148373	AMBWOZZIQAWAIK-LBPRGKRZSA-N	323.780	1.858	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)Cc2csc(C)n2)cc1	762999112	ZCHOZRXFIMLRSR-UHFFFAOYSA-N	320.374	1.856	50	20	DDGD	
CCc1cccc2cc(C=NNC(=O)CS(C)(=O)=O)oc12	863184302	WGZLGQGVTHBXLW-UHFFFAOYSA-N	308.359	1.490	50	20	DDGD	
CCc1noc(COCC(=O)NNc2c(C)cccc2F)n1	935446950	CPDYXWBZELDGIY-UHFFFAOYSA-N	308.313	1.739	50	20	DDGD	
O=C(NC[C@H]1COCCN1)NNc1ccc(Cl)cc1Cl	861680835	LEAMAKNJTZFUCE-VIFPVBQESA-N	319.192	1.608	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1Cl	862451753	AKLIWKZTMGQHOK-JLVNDZCYSA-N	321.764	1.169	50	20	DDGD	
COc1cc(OC)c(C(=O)O)cc1/C=C(\C#N)C(=O)NC1CC1	863178468	RMXRZLYZLKTDOZ-BJMVGYQFSA-N	316.313	1.588	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CO[C@@H]2CCC[C@@H](C)C2)n[nH]1	869012295	MBGKTZUVSIORIJ-ZWNOBZJWSA-N	308.382	1.003	50	20	DDGD	
CCNC(=O)N(C)N=Cc1ccc(O[C@@H](C)C(=O)OC)cc1	769594341	MSKWSPIKKNJQKG-NSHDSACASA-N	307.350	1.622	50	20	DDGD	
C[C@@H](NNC(=O)[C@@H]1CCCN1Cc1ccccn1)C(F)(F)F	862313128	CNYXKCADKFVIBG-PWSUYJOCSA-N	316.327	1.618	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)[C@@H](C)C2)c1O	763984582	XCNRDWSRHDZWBB-UWVGGRQHSA-N	320.345	1.167	50	20	DDGD	
Cn1cc(Cl)c(C(=O)NC[C@]2(C)C[C@H]2Br)n1	862259097	YGWAUQCOOOAVOL-XCBNKYQSSA-N	306.591	1.977	50	20	DDGD	
O=C(NNC(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21)OCC(F)(F)F	862215148	DRIVDVBWRLVRGG-OUAUKWLOSA-N	314.263	1.892	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cccc2cccnc12)N(C)C	765337124	MNCMZVZKBUDKSM-CYBMUJFWSA-N	300.362	1.336	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1cccc(OC(C)(C)C)n1	768108515	ZBKBOCYUSYPNDH-UHFFFAOYSA-N	324.381	1.126	50	20	DDGD	
CC[C@@H](C)Oc1cccc(NC(=O)C(=O)NNC(=O)C(C)C)c1	763820584	LDMRELPFSIRQTM-LLVKDONJSA-N	321.377	1.606	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(-c2cnc(C)o2)cc1	763432155	XIGPITIESQBAPG-UHFFFAOYSA-N	316.317	1.146	50	20	DDGD	
CCSCCSCC(=O)NNC(=O)c1cccc(C#N)c1	760516514	YABWPAVKPJHMPI-UHFFFAOYSA-N	323.443	1.806	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cc3n(n2)CCCO3)n1	762872267	LGPHKMVVLLOTET-UHFFFAOYSA-N	308.729	1.174	50	20	DDGD	
O=C(NNc1ccc(F)cn1)C1CN(C(=O)C2CCCCC2)C1	874646998	KYZUAVSLEZGEDB-UHFFFAOYSA-N	320.368	1.703	50	20	DDGD	
Cc1noc(C2CC2)c1C(=O)NNc1cc(Cl)nc(N)n1	773860231	DMPYOWAMCNQTPR-UHFFFAOYSA-N	308.729	1.643	50	20	DDGD	
Cc1cc(=NNC(=O)NCCCOc2ccccc2)cc[nH]1	875027583	XLQPGPGAHDOFKA-UHFFFAOYSA-N	300.362	1.907	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)c2cc3c(s2)CCC3)CCO1	776337449	RUISDZCZMDJOME-MWLCHTKSSA-N	308.403	1.813	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccnc(C2CC2)c1	772294552	AAVOCYXFQLDDAJ-SECBINFHSA-N	305.334	1.062	50	20	DDGD	
CC(=O)N1CCC(=NNC(=O)c2cccnc2)c2ccccc2C1	778534578	VAIXBDNZHJNZAU-UHFFFAOYSA-N	322.368	1.968	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCc1ccc(NC(C)=O)cc1	875234515	VLIIALSINRXNHF-UHFFFAOYSA-N	308.338	1.100	50	20	DDGD	
CO[C@@H](C(=O)NNC(=S)Nc1ccc(N(C)C)cc1)C(C)C	874952910	LQAYVZNBBWHBPK-CYBMUJFWSA-N	324.450	1.741	50	20	DDGD	
CCOc1cccc([C@@H](C)NCC(=O)NNC(=O)C(C)(C)C)c1	775211241	CFHZAAMIZCOPAQ-GFCCVEGCSA-N	321.421	1.929	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(Cl)cc1N	771893039	QKHZQVPPYMVCSV-ZETCQYMHSA-N	313.741	1.025	50	20	DDGD	
COC1CCN(Cc2cn(/C=C\CBr)nn2)CC1	881294906	GLUGPYQIQXBAEC-KXFIGUGUSA-N	315.215	1.755	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@@H](C)C(C)(C)c1ccccc1	775323122	ZWVRIEJPKUENBY-OLZOCXBDSA-N	305.422	1.888	50	20	DDGD	
Cc1ccsc1CCNC(=O)NNC(=O)Cc1ccncc1	773729029	BYWRLLBSAOSBHJ-UHFFFAOYSA-N	318.402	1.567	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1cnn(C[C@@H]2CCCO2)c1	779354433	GVWYGAUYDNYIAZ-LBPRGKRZSA-N	307.354	1.015	50	20	DDGD	
CN(NC(=O)CCc1ccc(Br)cc1F)C(N)=O	778415974	WXBVHSDNVIXAIC-UHFFFAOYSA-N	318.146	1.563	50	20	DDGD	
Cc1ccnc2nc(C(=O)OC[C@@H](C)CBr)nn12	770326089	RSJJOZYMKDQMPT-ZETCQYMHSA-N	313.155	1.621	50	20	DDGD	
CCOC(=O)[C@@](C)(NS(=O)(=O)CCl)c1ccccc1	885845260	HNBGJDRWRRDLNG-LBPRGKRZSA-N	305.783	1.581	50	20	DDGD	
C[C@H](NC(=O)NNc1cc(F)c(F)c(F)c1)c1nnnn1C	1123737837	KSDLWXFJZKMWRW-YFKPBYRVSA-N	315.259	1.015	50	20	DDGD	
O=C(CN1CC[C@H](CF)C1)NNC(=O)c1cccc(Cl)c1	880296700	DCLILVSUSFZHCQ-SNVBAGLBSA-N	313.760	1.392	50	20	DDGD	
CN1CCN(C[C@H](CBr)C2CC2)C(C)(C)C1=O	1331350921	UHHLTWKCLSWERU-NSHDSACASA-N	303.244	1.960	50	20	DDGD	
COCCn1cc(C(=O)NNc2cccnc2Cl)c(C)n1	782851621	NVDQLFWKJUPVDB-UHFFFAOYSA-N	309.757	1.643	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)c2cccnn2)cc1C	883721908	FDNYWYZGIVAFCW-UHFFFAOYSA-N	313.361	1.280	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@@H](c1cccs1)C1CC1	883089137	BDZPOKXHQGEMHF-CYBMUJFWSA-N	323.418	1.956	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cn2cc(C)ccc2n1	788976553	FLTVNCJZKDFHHZ-UHFFFAOYSA-N	301.394	1.825	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccc(-n3ccnc3)nn2)cc1F	788176713	AMXLFUPALPVLGN-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cn2cc3ccccc3n2)c1	781040598	VTTNFYCZSSDTAX-UHFFFAOYSA-N	324.340	1.966	50	20	DDGD	
COC(=O)CCc1csc(NC(=O)NN=c2cc[nH]cc2)n1	782055490	DSZCIFDDCUNIMK-UHFFFAOYSA-N	321.362	1.214	50	20	DDGD	
Cc1cnc(Cl)c(NC(=O)NNC(=O)Cc2ccncc2)c1	787458031	IQRYGJFMSPOTBT-UHFFFAOYSA-N	319.752	1.834	50	20	DDGD	
CC(C)[C@H]1C[C@H](NC(=O)NNc2ncncc2Cl)CCO1	781013360	JRYITINJAPCDKL-MWLCHTKSSA-N	313.789	1.960	50	20	DDGD	
CNC(=O)Nc1cccc(C(=O)NNC(=O)CC2CCCC2)c1	893802544	VSISRXCVEACAEO-UHFFFAOYSA-N	318.377	1.779	50	20	DDGD	
C[C@@H](C#N)CNC(=O)NNC(=O)CCSc1ccc(F)cc1	781950491	MCAXOWSIYDAUNT-JTQLQIEISA-N	324.381	1.798	50	20	DDGD	
Cc1ccc(OCC(=O)NN=C2CC(=O)N3CCCC[C@H]23)cc1	799471724	GKOBWVKBMLNIDP-OAHLLOKOSA-N	315.373	1.631	50	20	DDGD	
O=C(NN=C1CCC[C@H]1c1ccccn1)C(=O)Nc1ccccn1	794918147	BEFPDQAKMOPZKW-LBPRGKRZSA-N	323.356	1.855	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNc2cccc(F)c2[N+](=O)[O-])C1	790588497	FNMAVKLSKSYKMP-VIFPVBQESA-N	324.312	1.436	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1ccc2c(c1)CCC=C2	791035785	SPULIWIVLKXDNR-UHFFFAOYSA-N	301.346	1.333	50	20	DDGD	
COC(=O)Cc1cccc(NC(=O)NNC(=O)OC(C)(C)C)n1	792407160	QKDRYMHIMVBTAP-UHFFFAOYSA-N	324.337	1.358	50	20	DDGD	
COC(=O)c1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2OC)[nH]1	796821138	AGENKBDOUBJRQG-UHFFFAOYSA-N	320.257	1.937	50	20	DDGD	
CC(C)(C(=O)NNc1nccc(N2CCOCC2)n1)C(F)F	792650982	UQOCLIMMKWZSGV-UHFFFAOYSA-N	315.324	1.048	50	20	DDGD	
Cc1cc(C=NNC(=O)N2CCN(C)CC2)c(C)n1C1CC1	790173771	OAEMDDUJCBMCAS-UHFFFAOYSA-N	303.410	1.731	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1ncccc1Cl	794348924	ZDIFWVFQTPQDHM-UHFFFAOYSA-N	319.748	1.713	50	20	DDGD	
Cc1cccc(C(=O)NNC(=S)NC[C@H]2CCCCO2)n1	795013109	QSNLRUOCGBBWII-LLVKDONJSA-N	308.407	1.068	50	20	DDGD	
CO[C@H]1CCC[C@H](CC(=O)NNC(=S)NC(C)(C)C)C1	798124572	ZRKWPUFNOWEICE-QWRGUYRKSA-N	301.456	1.876	50	20	DDGD	
CCn1ncc2cc(C(=O)NNC(=O)c3ccncc3)c(C)nc21	799516998	HBTZSNRZQOYZTL-UHFFFAOYSA-N	324.344	1.229	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(F)c2)n1	794079699	CYZAKCFNDOECGX-LLVKDONJSA-N	317.320	1.758	50	20	DDGD	
C#Cc1ccc(C=NNC(=O)[C@@H]2COc3ccccc3O2)cc1	792632282	VRCWMGBMPBQKCY-KRWDZBQOSA-N	306.321	1.958	50	20	DDGD	
COCC[C@@H]1CCCC1=NNC(=O)C(=O)Nc1ccccn1	799881835	YVVFTDAPJBWTLS-NSHDSACASA-N	304.350	1.329	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cnc2ccc(F)cc2c1	1319516967	AOSDXARQQLWCBG-UHFFFAOYSA-N	306.366	1.891	50	20	DDGD	
C[C@@H](NC(=O)NNc1nncc(N)c1Cl)c1ccccn1	1319392399	GFIXSZOSZGCRIK-SSDOTTSWSA-N	307.745	1.495	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccc3n[nH]cc3c2)cc1	1319001388	IPGBKVGIKRESPY-UHFFFAOYSA-N	310.313	1.646	50	20	DDGD	
Cc1coc(C(=O)NNC(=O)COc2ccc(C#N)cc2)c1C	1327836637	SNTNYWOUZIWFOP-UHFFFAOYSA-N	313.313	1.608	50	20	DDGD	
CCc1nnc(C)cc1C(=O)NNC(=S)Nc1ccccn1	1330288347	MTFIRCCGTOPBIW-UHFFFAOYSA-N	316.390	1.374	50	20	DDGD	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CC[C@H](B(O)O)C1	585074738	NYCIVXVOXNMUKB-ZJUUUORDSA-N	313.615	1.896	50	20	DDGD	
C[C@@H](CN1CCN(C)CC1)NC(=O)c1cccc(CCl)c1	1337123313	HVVZIBWIMRUWQF-ZDUSSCGKSA-N	309.841	1.791	50	20	DDGD	
COCCCn1nccc1C=NNC(=O)c1ccc(C)c(O)c1	1333198414	UAHCUHCTDOZDNW-UHFFFAOYSA-N	316.361	1.698	50	20	DDGD	
COCCOCC(=O)NN=Cc1nc2c(s1)C[C@@H](C)CC2	1330108035	GCKXJNVTLHCYEL-JTQLQIEISA-N	311.407	1.381	50	20	DDGD	
CN1CC[C@@H]1CNC(=O)NNc1cc(C(F)(F)F)ccn1	1342337865	OKZPHPOETMVDIS-SECBINFHSA-N	303.288	1.431	50	20	DDGD	
COc1nc(Cl)c(C=NNC(=O)Cc2ccccc2F)n1C	1261236112	VHSQEWHHLRCNFN-UHFFFAOYSA-N	324.743	1.914	50	20	DDGD	
CCc1ncoc1C(=O)NNC(=O)COc1cc(C)cc(C)c1	1262564456	JCEXILNCEUIVDE-UHFFFAOYSA-N	317.345	1.694	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(C)n1C1CC1	1261499545	NUBHWENNEFXBHT-WCQYABFASA-N	305.378	1.626	50	20	DDGD	
CC1(C)C[C@](C)(NC(=O)NNc2ccc(Cl)nc2)C(=O)O1	1349790415	XIQOYHNJSMQOOP-ZDUSSCGKSA-N	312.757	1.845	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)Nc1ccc(-n2cncn2)cc1	1341925360	UWNCQEIVXOYAIN-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)[C@H]2CCCCO2)c(Cl)n1	1350157381	LQUFZOLBURSXQV-SNVBAGLBSA-N	312.757	1.765	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@]2(C)CC(C)=NO2)c1F	1353702482	WOICWLAWHVZJJN-AWEZNQCLSA-N	309.297	1.610	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)Oc1cnccc1C(=O)O	1603613008	QFXSCTLKFGDAGO-UHFFFAOYSA-N	307.755	1.753	50	20	DDGD	
O=C(O)Cc1cccc(C(=O)NN=c2cc[nH]cc2Cl)c1	1602134705	CLHFGKIXGOTOGJ-UHFFFAOYSA-N	305.721	1.541	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2cc(C(=O)O)ccn2)n1	1600182744	KUZHLIDDBFGXKS-UHFFFAOYSA-N	302.294	1.335	50	20	DDGD	
Cc1c(Cl)cccc1NNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)O)O1	1607531774	WGQJJLFGFCNEOA-NZXMKCKXSA-N	312.753	1.970	50	20	DDGD	
O=C(OCCCI)c1c[nH]c(C(=O)O)c1	1602613928	JJONKGUMKALLHX-UHFFFAOYSA-N	323.086	1.695	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccc3c(c2)OCO3)nc1	1602382923	JRMSWRFQVJHUML-UHFFFAOYSA-N	301.258	1.265	50	20	DDGD	
O=C(NN=C1CCCc2c[nH]nc21)c1ccc(-c2nn[nH]n2)cc1	1609557501	QZHYFCVMBYLRHX-UHFFFAOYSA-N	322.332	1.060	50	20	DDGD	
N#Cc1c(C(=O)NNc2ccc(C(=O)O)cn2)[nH]c2ccccc12	1608191550	MHQOEIYMXLSQKW-UHFFFAOYSA-N	321.296	1.890	50	20	DDGD	
Cc1ncc(NC(=O)NNc2cccc(C(=O)O)c2C)cn1	1607982253	ANCQCJHXRAAGHX-UHFFFAOYSA-N	301.306	1.940	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C2(C(=O)O)CC2)c(C)c1	1600458186	CPQUCHMGZKUNNF-UHFFFAOYSA-N	307.375	1.486	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)C(F)(F)C1CCOCC1	1608948325	QQCCVNYKXXIZDQ-UHFFFAOYSA-N	314.288	1.890	50	20	DDGD	
C/C=C/C=C/C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1609180103	FCOAWGJSWMWYDH-YTXTXJHMSA-N	303.326	1.554	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCCSCC(=O)O	1610618928	OGKWLIDATXMKOM-XFFZJAGNSA-N	308.334	1.667	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@H]1C=NNC(=O)CC(F)(F)F	1552447819	YDCSXXVAQHJRHG-ONGXEEELSA-N	318.299	1.942	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C1(C(=O)O)CCCCC1	1573407274	QUBGKXLKFUZCAS-UHFFFAOYSA-N	301.412	1.315	50	20	DDGD	
CCCNNC(=O)/C=C/c1ccc(I)o1	1577574970	YMEYSXMBFQNVPI-GQCTYLIASA-N	320.130	1.928	50	20	DDGD	
C=C(CCC(=O)O)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	1573336829	GYROBTLINCNMBN-UHFFFAOYSA-N	320.349	1.326	50	20	DDGD	
Cc1ccc(Oc2ccccc2CC(=O)NNC(=O)CN)cc1	1579731258	WPDFPNJXTSTUCK-UHFFFAOYSA-N	313.357	1.436	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@H]1CCCCO1)[C@@H](N)c1ccccc1	1575092132	FUQCTYXOMCNTLH-KBPBESRZSA-N	319.405	1.429	50	20	DDGD	
C/C=C/C(=O)N1CC2(CCCN2C(=O)[C@H](C)Br)C1	1846179267	UWTWLHLHWCCLLJ-GFAPAMAISA-N	315.211	1.549	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@H]1F	1847868395	ARYPIZAOAYASKJ-WJTVCTBASA-N	316.804	1.954	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccc2c(c1)CCCN2	1580732243	ACTCFJAWSVHUCW-CQSZACIVSA-N	303.362	1.375	50	20	DDGD	
COCCC(=O)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846387329	JXMCGWHUCUTLOY-UHFFFAOYSA-N	309.193	1.030	50	20	DDGD	
CCO/C=C/C(=O)N1CCCC12CN(C(=O)[C@@H](Cl)CC)C2	1846501952	FFFIEMWGCLGNLE-LZGFCCKTSA-N	314.813	1.757	50	20	DDGD	
O=C(O)Cc1ccccc1NC(=O)NNC(=O)c1cccnc1	1595136534	LPBCFNYNRWWSHU-UHFFFAOYSA-N	314.301	1.175	50	20	DDGD	
CN(C)[C@@H](C(=O)NNc1ncccc1C(=O)O)c1ccccc1	1593691802	ZXEZFZNSATYSKB-CYBMUJFWSA-N	314.345	1.526	50	20	DDGD	
Cc1ccc(C(=O)NN=Cc2cc(C(=O)O)nn2C)cc1F	1594346987	QHJVVKCQRWKPII-UHFFFAOYSA-N	304.281	1.330	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)[C@@H](C)O1	1590183067	AKOLQSDNFCTQDH-KBVBSXBZSA-N	302.338	1.123	50	20	DDGD	
Cc1cc(=O)oc2cc(OCC(=O)NNC(=O)C(C)C)ccc12	15983949	IEDXIXLXAHFPBO-UHFFFAOYSA-N	318.329	1.284	50	20	DDGD	
C=CCc1cc(C(=O)NNC(=O)C2CC2)cc(OC)c1OC	16230201	BGFQNHWOTPLYRU-UHFFFAOYSA-N	304.346	1.603	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNC(=O)[C@@H]2CCCO2)cc1	153359759	VXHUEFXOLCHALC-RISCZKNCSA-N	306.362	1.200	50	20	DDGD	
CS[C@H](C)CC(=O)NNC(=O)COc1cc(C)ccc1C	155313608	GBSNSLKECQZLOL-GFCCVEGCSA-N	310.419	1.971	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNC(=O)c1cccn1C	159181308	VSZSXNCDPSWMDN-SECBINFHSA-N	303.366	1.320	50	20	DDGD	
C[C@@H]1CCN(S(=O)(=O)c2ccc(CCCl)cc2)[C@@H]1CO	227156992	AWYKIVAOEDNBAQ-BXUZGUMPSA-N	317.838	1.859	50	20	DDGD	
C[C@@H](NS(=O)(=O)c1ccc(CCCl)cc1)C1(CO)CC1	696043558	HGSAPMKBKWPMBY-LLVKDONJSA-N	317.838	1.907	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H]1c1ccc[nH]1	109831165	AGEZUTDGJBPLSP-TZMCWYRMSA-N	306.410	1.734	50	20	DDGD	
CCn1c(NNC(=O)c2cnc(C)cn2)nc2ccccc2c1=O	22699879	BYKSXYZQGUNPJM-UHFFFAOYSA-N	324.344	1.272	50	20	DDGD	
Cc1ccc(C(=O)C(=O)NNc2nc(-c3ccncc3)no2)cc1	102158285	RJFOBRXZNFZDRE-UHFFFAOYSA-N	323.312	1.766	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Cn1c(=O)oc2ccccc21	58094649	ISFGJEJVTZITQC-UHFFFAOYSA-N	307.306	1.150	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Cn1cc(C(F)(F)F)ccc1=O	24705927	NSNZBTBBCAPWKF-UHFFFAOYSA-N	319.283	1.061	50	20	DDGD	
CCN(CC)CC(=O)NNC(=O)CSc1ccc(C)cc1	63678982	FVYKRRZZLKFOST-UHFFFAOYSA-N	309.435	1.576	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cc(-c2cccnc2)on1	63460695	IWSULAHCRZFMHM-UHFFFAOYSA-N	304.306	1.906	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNc1nnc(C2CC2)s1	184515263	AXKDDLGHYLABPF-UHFFFAOYSA-N	323.403	1.350	50	20	DDGD	
O=C(NNc1nccnc1Cl)c1cc(-n2cccn2)ccn1	127679081	QBLWLSXSAAHSRY-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)NNc1ncccn1	118588786	HEUOHAKMQKPHBU-RYUDHWBXSA-N	307.398	1.944	50	20	DDGD	
Cc1c(CNC(=O)NNc2cccc([N+](=O)[O-])c2)cnn1C	179351207	MMVLGWVRNDZPEI-UHFFFAOYSA-N	304.310	1.463	50	20	DDGD	
Cc1ccccc1[C@@H](C)NC(=O)NNC(=O)c1cnn(C)c1	118052196	YDYDVAAZLUQSBS-LLVKDONJSA-N	301.350	1.434	50	20	DDGD	
Cc1ccc(CCNC(=O)NNC(=O)Cc2ccncc2)cc1	176372492	VMZIIHKOWSDWMV-UHFFFAOYSA-N	312.373	1.506	50	20	DDGD	
CCc1cccc(S(=O)(=O)NNC(=O)c2ccccc2)c1	176397588	IRMFHCVGXYIUPL-UHFFFAOYSA-N	304.371	1.872	50	20	DDGD	
CCc1ncc(NC(=O)C(=O)NNc2c(C)cccc2F)cn1	187446979	YFKVKNJCTAQBKF-UHFFFAOYSA-N	317.324	1.568	50	20	DDGD	
CC1(CCNC(=O)NNc2cc(F)c(F)cc2F)OCCO1	185121113	ASOSOQAWZKGFOV-UHFFFAOYSA-N	319.283	1.883	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)C1=CCCCO1	72834712	BRHYGEGHOYAGEI-UHFFFAOYSA-N	310.737	1.804	50	20	DDGD	
CCn1c(=O)n(CC(=O)NNc2ccncc2)c2ccccc21	180532846	DMACQWFAZQKHEW-UHFFFAOYSA-N	311.345	1.361	50	20	DDGD	
Cn1nc(C(=O)NNc2ccc(F)cc2)cc1OC(F)F	184326195	HNDYEZRRBMAWDU-UHFFFAOYSA-N	300.240	1.918	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cc(C)n[nH]1)c1ccc(OC)cc1	181726750	KGKACRNVNXFYNV-CYBMUJFWSA-N	316.361	1.682	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)C[C@H]1COC(=O)C1)c1ccccc1	120471338	FLCOXKRKFRHXAH-YPMHNXCESA-N	304.346	1.281	50	20	DDGD	
O=C(Cc1cccc(F)c1)NCC(=O)NNc1ccnc(F)c1	182448828	RTQPHQAFRYDCBX-UHFFFAOYSA-N	320.299	1.162	50	20	DDGD	
C[C@H](CO)SCC(=O)NNC(=O)c1ccccc1Cl	79089904	MBCTWOZURPJSQB-MRVPVSSYSA-N	302.783	1.215	50	20	DDGD	
CC(C)(C)CN(CCCO)CC(=O)NNC(=O)c1ccccc1	182247727	ZXHUVECRDKXJDV-UHFFFAOYSA-N	321.421	1.178	50	20	DDGD	
C[C@@](O)(CCNC(=O)NNc1cccnn1)c1ccccc1	188823686	RUHKDFBJKVDYOV-OAHLLOKOSA-N	301.350	1.401	50	20	DDGD	
COc1c(C)cc(S(=O)(=O)NNC(=O)C(C)(C)C)cc1C	194164789	LPHTWQGRPIRRPO-UHFFFAOYSA-N	314.407	1.668	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCCCCCCO	192709849	GAZIRUGWVIZCTB-UHFFFAOYSA-N	307.394	1.502	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)C(C)(C)C)NC(=O)c1ccccc1	80085847	CZUARIFEIIXGRE-LLVKDONJSA-N	305.378	1.389	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNc2ccccc2[N+](=O)[O-])c1	44668372	KPAJJBCNKHARSO-UHFFFAOYSA-N	300.274	1.451	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)c1ccc(C)o1)c1ccccc1	84373761	MIQYWSIATLHJGF-INIZCTEOSA-N	302.330	1.911	50	20	DDGD	
CN1C(=O)Cc2cc(NC(=O)NNC(=O)c3ccccc3)ccc21	194070586	CKJGANWGSTVAAL-UHFFFAOYSA-N	324.340	1.672	50	20	DDGD	
CN(NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccccc1	198156640	WXEBNQWTYCXKAE-ZDUSSCGKSA-N	313.357	1.796	50	20	DDGD	
C[C@H](OCc1ccccc1)C(=O)NNC(=S)N[C@@H](C)C1CC1	83676248	AQPUZOANZVYLRY-RYUDHWBXSA-N	321.446	1.886	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1Cc1ccccc1)c1ccncc1	194035373	RJRKVVTZSHBSLH-MRXNPFEDSA-N	324.384	1.507	50	20	DDGD	
C[C@@H](NC(=O)c1ccoc1)C(=O)NNC(=O)NC1CCCCC1	193919538	RMEMHEJZTFPCGJ-SNVBAGLBSA-N	322.365	1.061	50	20	DDGD	
CN1CCC[C@H]2CN(S(=O)(=O)CCCCCl)CC[C@H]21	227353944	JICKWZAUTDSNJE-QWHCGFSZSA-N	308.875	1.751	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1ccnn1C(C)(C)C	190611271	XTHGCSUPKFERMO-UHFFFAOYSA-N	304.354	1.443	50	20	DDGD	
CCn1c(NNC(=O)c2cccc(O)c2)nc2ccccc2c1=O	192837103	ISJVFSUOKNZXSV-UHFFFAOYSA-N	324.340	1.879	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)N[C@H]1CCc2c(F)cccc21	98033477	RWNUKZZZBYRCQS-STQMWFEESA-N	307.325	1.322	50	20	DDGD	
C=CCCOCC(=O)NNC(=O)COc1cc(C)ccc1C	141599588	MGTMZCJLABHOFC-UHFFFAOYSA-N	306.362	1.422	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)/C=C\SCc1ccco1	255210781	DKHRZPVYHSRUMG-TWGQIWQCSA-N	305.359	1.826	50	20	DDGD	
CC(C)(C)SCCNC(=O)NNC(=O)Cc1ccncc1	266983242	OCDOTJMKQIXNFS-UHFFFAOYSA-N	310.423	1.486	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@@H]2CCCO[C@H]2C(C)C)n1	268061481	TXZCDSYJHWRXGU-AAEUAGOBSA-N	323.397	1.563	50	20	DDGD	
O=C(CC[C@H]1CCOC1)NNc1nc(-c2cccnc2)no1	267611702	SAAVBSUBESXXAU-JTQLQIEISA-N	303.322	1.391	50	20	DDGD	
CC(C)[C@H](C)CC(=O)NNC(=O)CNC(=O)c1cccs1	263884058	GJCBGXUQDIRKKB-SNVBAGLBSA-N	311.407	1.308	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)cc1OC	269347120	IXSNKJGUFCFWOG-LBPRGKRZSA-N	308.334	1.034	50	20	DDGD	
COCCCNC(=O)NNC(=O)C[C@@H](C)c1cccc(OC)c1	267795885	NQSCAVZEOCCHKB-GFCCVEGCSA-N	323.393	1.556	50	20	DDGD	
CSC[C@@H](C)C(=O)NNC(=O)COc1ccc(F)cc1	264495000	GFFSVUBNWXTTTL-SECBINFHSA-N	300.355	1.351	50	20	DDGD	
CO[C@H](C)c1nc(CNC(=O)NNC(=O)CC(C)C)cs1	267766427	SAYNYGGVROTDPV-SECBINFHSA-N	314.411	1.727	50	20	DDGD	
Cn1cnc2cc(C(=O)NNC(=O)NC3CCCCC3)ccc21	269946691	WTYFAZAZLTXHTH-UHFFFAOYSA-N	315.377	1.850	50	20	DDGD	
CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)COc1ccc(C)cc1	273205776	MEIISMVYJQOTDD-ZDUSSCGKSA-N	321.421	1.688	50	20	DDGD	
C[C@H]1CCCN(C(=O)C(=O)NNc2cc(F)c(F)c(F)c2)C1	278410253	LRKGQKPLILSOLP-QMMMGPOBSA-N	315.295	1.806	50	20	DDGD	
O=S(=O)(CBr)N1CC[C@@H](Nc2ccccc2)C1	368467884	SXRGYSYWLVWKND-LLVKDONJSA-N	319.224	1.855	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H](C(=O)NNC(=O)c2ccccn2)C1(C)C	275552440	VEFIXTADIBEONO-MNOVXSKESA-N	303.362	1.484	50	20	DDGD	
CSCc1ccc(NC(=O)C(=O)NNC(=O)C2CC2)cc1	274012277	CHHOROWWCMJTOV-UHFFFAOYSA-N	307.375	1.046	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Cc1ccc(F)cc1	276574407	NMBLURDTTWXCCY-UHFFFAOYSA-N	312.341	1.305	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)NC2CC(F)(F)C2)cc1	277055726	IVAYBTGKAVERPI-UHFFFAOYSA-N	324.287	1.065	50	20	DDGD	
C[C@@H]1C[C@H](CNC(=O)NNC(=O)c2ccccc2O)CCO1	271580716	QWMISLNQYPJVDH-GHMZBOCLSA-N	307.350	1.151	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)[C@H]2CCCCS2)c1	272988440	QEKUAUGSCYQURY-CYBMUJFWSA-N	307.419	1.799	50	20	DDGD	
CCNC(=O)c1ccc(C)c(NC(=O)NNC(=O)CC(C)C)c1	273343460	RHXRMUOJQJHSSE-UHFFFAOYSA-N	320.393	1.944	50	20	DDGD	
Cc1c(C(=O)NNC(=O)N2CCN(C)CC2)oc2ccccc12	285963168	QZIGYZDDDJLJMK-UHFFFAOYSA-N	316.361	1.343	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NNc1ccc(OC)cn1	281814438	OCRNUYLLHRUQFS-SMDDNHRTSA-N	306.366	1.698	50	20	DDGD	
CO[C@@H](C)CN(C)C(=O)NNC(=O)c1cc2ccccc2o1	286641413	KFXRXWDNPFXNAY-JTQLQIEISA-N	305.334	1.754	50	20	DDGD	
COCCN(C)NC(=O)c1[nH]nc(C2CC2)c1Br	288348106	GEJCZLWPYKAACZ-UHFFFAOYSA-N	317.187	1.273	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Nc1ccccc1)N1CCCC1=O	283787535	SOEDCNFHMYPVBV-GFCCVEGCSA-N	304.350	1.240	50	20	DDGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NNC(=O)c1ccccc1F	284932168	CKEZTWUIICOZDS-ZANVPECISA-N	309.341	1.138	50	20	DDGD	
C[S@@](=O)C1(CNC(=O)NNc2ccccc2Cl)CC1	281981224	OUDKIPNVVNTAIT-LJQANCHMSA-N	301.799	1.877	50	20	DDGD	
O=C(NC[C@H]1COC2(CCCCC2)O1)NNc1cccc(F)n1	287034379	SIDVGVRNJIYPLE-NSHDSACASA-N	324.356	1.923	50	20	DDGD	
NC(=O)NCCCCC(=O)NNc1nccnc1C1CCC1	287254560	RFGIQKKFZSOSRX-UHFFFAOYSA-N	306.370	1.026	50	20	DDGD	
COC(=O)c1ccc(C)c(NC(=O)NNC(=O)CC(C)C)c1	299250470	DWFHOGWDPNWYGC-UHFFFAOYSA-N	307.350	1.980	50	20	DDGD	
CC(C)[C@H](NC(=O)NNc1cccc(C#N)c1)c1nncn1C	807431386	AUZUFLXPYKNZQJ-ZDUSSCGKSA-N	313.365	1.710	50	20	DDGD	
COc1ccccc1C[C@@H](C)CC(=O)NNC(=O)[C@@H]1CCCO1	292067694	DEWNVILZYBHHOM-DOMZBBRYSA-N	320.389	1.590	50	20	DDGD	
Cc1ccc(-n2cnnn2)cc1NC(=O)NNC(=O)CC(C)C	299122279	DLJCHPBWOVGFGL-UHFFFAOYSA-N	317.353	1.170	50	20	DDGD	
CCn1nncc1C(=O)NNc1ccccc1OC(F)(F)F	293878538	ASBLUAXAMHXZAI-UHFFFAOYSA-N	315.255	1.954	50	20	DDGD	
COCCN(C)NC(=O)[C@H]1C[C@@H]1c1cc(OC)ccc1OC	293583390	JWUGXOGYYQXUQS-OCCSQVGLSA-N	308.378	1.417	50	20	DDGD	
CSCCNC(=S)NNC(=O)CCc1ccc(C)s1	291260967	KVPUCAIJROMBKY-UHFFFAOYSA-N	317.505	1.847	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(Cl)c(F)c2)O1	294177186	JFWWZNLNTYRRKC-CPCISQLKSA-N	300.717	1.808	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NOCC1CC1	297487202	TZJBFRGLKWCVKS-SECBINFHSA-N	311.313	1.265	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccn(CCc2ccccc2)n1	294636154	ZWVXILKODKLZHP-UHFFFAOYSA-N	314.389	1.933	50	20	DDGD	
CCCCO[C@H](C)C(=O)NNC(=O)COc1ccccc1OC	299271962	XOLDYMQGFJHGAG-GFCCVEGCSA-N	324.377	1.427	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H](c2ccccc2)C2CC2)O1	294048529	YVHOKKLHJNBIGZ-TUKIKUTGSA-N	302.374	1.895	50	20	DDGD	
CN1C(=O)CC[C@@H]1C(=O)NNc1ccnc2cc(Cl)ccc12	806357255	GEXGAFXDGLKKBB-CYBMUJFWSA-N	318.764	1.952	50	20	DDGD	
Cc1nnc(-c2ccc(C(=O)NNC(=O)CC3CC3)cc2)o1	294094690	IUCWDYHQPGSALT-UHFFFAOYSA-N	300.318	1.606	50	20	DDGD	
COc1ccc(NNC(=O)Nc2ccc3c(c2)C(=O)OC3)nc1	808883972	QGPRLLIMITZXHM-UHFFFAOYSA-N	314.301	1.909	50	20	DDGD	
O=C(COc1ccc(Cl)c(F)c1)NNC(=O)C1CCC1	293239148	BATLLIPCYISRGZ-UHFFFAOYSA-N	300.717	1.805	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1F	801864586	NPCGXQZIXYUJPP-UHFFFAOYSA-N	321.255	1.616	50	20	DDGD	
Cc1nnc(NNC(=O)CCc2cccc(N(C)C)c2)nc1O	802442920	GHDHGIHCQFLHQQ-UHFFFAOYSA-N	316.365	1.028	50	20	DDGD	
CC[C@@](O)(C(=O)NN=c1cc[nH]cc1)c1cccc(Cl)c1	800531276	AULPPYQNWMQVPM-HNNXBMFYSA-N	305.765	1.898	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1F)c1cnc2[nH]c(O)nc2c1	809650842	ODRNFHONOIDUAY-UHFFFAOYSA-N	323.234	1.838	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)c2ccc(O)c(Cl)c2)n1C	811644056	RJZNXNWOVRWKCJ-UHFFFAOYSA-N	321.768	1.609	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)Cc2cncn2C)cc1C	812720712	CALQHJOACIVFFD-UHFFFAOYSA-N	316.361	1.591	50	20	DDGD	
CO[C@H]1CCC[C@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	814359036	XKOUWYQHBPQJOY-AAEUAGOBSA-N	321.333	1.561	50	20	DDGD	
CCn1ccnc1C(=O)NNC(=O)Nc1cc(F)cc(F)c1	813573291	BGITXKWMEHAZBY-UHFFFAOYSA-N	309.276	1.648	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)c1ccc(CS(C)(=O)=O)o1	816629314	HPUWRUARNLKANU-UHFFFAOYSA-N	314.190	1.700	50	20	DDGD	
COCCCOc1cccc(C=NNC(=O)Cc2cc[nH]n2)c1	814955077	WDXDZPNKLOTWEY-UHFFFAOYSA-N	316.361	1.518	50	20	DDGD	
O=C(C[C@H]1CCC(=O)N1)NNc1ccccc1C(F)(F)F	816843978	JUPJPCLFIRNSPN-MRVPVSSYSA-N	301.268	1.817	50	20	DDGD	
COc1nccnc1NNC(=O)c1cccc([N+](=O)[O-])c1Cl	816971040	RMPIHKWCNUMCGC-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O	819843612	QNRFCSPYQPSGOW-RKDXNWHRSA-N	321.204	1.424	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NOC/C=C\Cl	811984413	KUMYGKFVCCOBPB-UTCJRWHESA-N	301.705	1.383	50	20	DDGD	
CN(NC(=O)c1ccc(S(=O)(=O)CC2CC2)cc1)C1CC1	819653470	QNEJLJVNPFWWBL-UHFFFAOYSA-N	308.403	1.609	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)c1ccnnc1)O[C@H](C)C2	817343653	VYOTXBDNKQJTNB-SNVBAGLBSA-N	312.329	1.573	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	814964277	PSODZSXRYNTPEG-VIFPVBQESA-N	310.379	1.632	50	20	DDGD	
COc1ccc(CCC(=O)NNc2ncncc2F)cc1F	817078334	ZPSIBPLYTGIZCU-UHFFFAOYSA-N	308.288	1.839	50	20	DDGD	
COc1ccncc1CNC(=O)NNc1cc(Cl)ccn1	814418007	YNBZQGRAFXZEMS-UHFFFAOYSA-N	307.741	1.965	50	20	DDGD	
Cc1c(C(=O)NN(C)[C@@H](C)CO)ccc(Br)c1F	823913495	VQJZVGGZAHWNOU-ZETCQYMHSA-N	319.174	1.854	50	20	DDGD	
C[C@@H]1CCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)[C@@H](C(N)=O)C1	491086374	TXBJUYDOVYCNHZ-KXPSEFJGSA-N	313.357	1.412	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(Cl)cc1SC	824299794	KUDCQHURYDOBQN-UHFFFAOYSA-N	303.771	1.861	50	20	DDGD	
Cc1ccccc1OCCCN(C)CC(=O)NNC(=O)C(C)C	827468554	UXOALXXIDQTZIJ-UHFFFAOYSA-N	321.421	1.499	50	20	DDGD	
O=C(NN=CC1CCOCC1)c1cccc(-c2nn[nH]n2)c1	826444424	FZHRAFPLAAKOJK-UHFFFAOYSA-N	300.322	1.009	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@@H]2CC(C)(C)OC2(C)C)cn1	491088305	ZGNIEHMKBFWWCU-MVXISAMASA-N	302.378	1.789	50	20	DDGD	
CCCNC(=O)NNC(=O)c1c(Cl)cccc1[N+](=O)[O-]	822799852	KFBDTGZDFYFAEF-UHFFFAOYSA-N	300.702	1.602	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(N(C)C)cc(C(F)(F)F)c1	823425519	WWIFOFTUQGLQHY-UHFFFAOYSA-N	304.272	1.345	50	20	DDGD	
C[C@H]1CCCN(c2cc(C(=O)NN(C)[C@H](C)CO)ccn2)C1	823922628	LJMVPSGQDQTCDP-QWHCGFSZSA-N	306.410	1.275	50	20	DDGD	
Cc1ccc(O)c(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1	826291468	HXWABJMNIIXWEP-UHFFFAOYSA-N	310.317	1.638	50	20	DDGD	
C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)c1cccc(B(O)O)c1	584984824	CJILGXDAOHPLAQ-GDBMZVCRSA-N	323.201	1.775	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N[C@@H]2CSC[C@H]2C)cc(C#N)n1C	490942486	OKDCQPKTQVTGOJ-YNTMGETISA-N	314.414	1.980	50	20	DDGD	
O=C(NNS(=O)(=O)C1=CCCCC1)NC1CCCCC1	829622338	NMHKGUPCSZNGJN-UHFFFAOYSA-N	301.412	1.911	50	20	DDGD	
Cc1ccc2c(c1)[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)CC2	825947112	DXOGARDBDLIGON-NJZAAPMLSA-N	317.389	1.738	50	20	DDGD	
COc1ccc(C(=O)NN(C)[C@@H](C)CO)c(Br)c1	823966191	ZXIOCTDWSJHBOF-QMMMGPOBSA-N	317.183	1.415	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cc(C2CC2)on1	826446925	FQTLOOSPBYCGQS-UHFFFAOYSA-N	311.305	1.489	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1ccnc(F)c1)c1ccccc1	731178532	YPTSMPFKRCYBQG-UHFFFAOYSA-N	301.321	1.960	50	20	DDGD	
O=C(CC1(O)CCC1)NNC(=O)c1cc(-c2ccccc2)on1	822293385	WKJBLXAAPCNFFK-UHFFFAOYSA-N	315.329	1.408	50	20	DDGD	
O=C(CCc1cccnc1)NNc1ccc(-c2nn[nH]n2)cc1	826409171	LOMFNNBFJZREQL-UHFFFAOYSA-N	309.333	1.338	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(Br)cc1F	823838465	QVYDHKHNYVXMDS-UHFFFAOYSA-N	305.147	1.547	50	20	DDGD	
Cc1nc(-c2cnn(C)c2)sc1C(=O)NNc1cccnn1	736704056	JNEGDMMLHBRHED-UHFFFAOYSA-N	315.362	1.399	50	20	DDGD	
C[C@@]1(C(=O)NNc2ncc(F)cc2F)C[C@@H]1Br	909546578	MWOZOEIMFKVIOK-OIBJUYFYSA-N	306.110	1.976	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@@H](C)C#N)ccc1OC(C)C	735840614	KOZYIBHOQNLFLA-JTQLQIEISA-N	305.334	1.403	50	20	DDGD	
O=C(CNc1cccc(Cl)c1)NNC(=O)Cc1cccnc1	733954402	QKBRMJYFRJZATK-UHFFFAOYSA-N	318.764	1.537	50	20	DDGD	
CC1(C)C[C@@H](Cc2nc(-c3ccc(B(O)O)cc3)no2)CCO1	585053846	IEDWFYYCFMMGSN-LLVKDONJSA-N	316.166	1.164	50	20	DDGD	
C[C@H](CNC(=O)[C@]1(C)C[C@H]1Br)CN1CCOCC1	906763380	MAYFTMHSMQTAPP-NQBHXWOUSA-N	319.243	1.244	50	20	DDGD	
O=C(/C=C/[C@@H]1CCOC1)NNC(=O)NCc1ccc(Cl)cc1	493435764	RVDVLKOHFPGZRP-MJRJWQSSSA-N	323.780	1.763	50	20	DDGD	
Cc1cc([C@H]2CCCN2[C@H](C)C(=O)NNC(=O)CC(C)C)on1	732197051	BJGJHZMSQLUKOX-CHWSQXEVSA-N	322.409	1.702	50	20	DDGD	
CC1(/C=C/c2nc(-c3ccc(B(O)O)cc3)no2)CCOCC1	585055414	ZLLKUOQVMRPZKX-VOTSOKGWSA-N	314.150	1.246	50	20	DDGD	
COC(=O)CCSCCNC(=O)[C@@]1(C)C[C@H]1Br	906695170	MSTYOUGWVWKLJH-KCJUWKMLSA-N	324.240	1.572	50	20	DDGD	
CCS(=O)(=O)CCN(C)C(=O)[C@]1(C)C[C@@H]1Br	907151672	WVPFOCAVJFZMIW-WCBMZHEXSA-N	312.229	1.053	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)C1CN(C2CCCCC2)C1	837575693	WIBJLZHUJVOSTP-UHFFFAOYSA-N	314.393	1.437	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCO[C@@H](c3cccs3)C2)o1	585044332	FNRFVJRSSQZCQW-ZYHUDNBSSA-N	307.180	1.031	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)cc1	908274380	PPYKWPPWYGUJHM-UHOFOFEASA-N	316.357	1.000	50	20	DDGD	
CC1(C)C[C@H](CNC(=O)NNc2ccc(Cl)nn2)CCO1	836674344	NHUCFLFPXFNMAV-SECBINFHSA-N	313.789	1.961	50	20	DDGD	
O=S(=O)(CCl)N1CCC[C@H](Oc2ncccc2F)C1	831304889	WBUPDHIHSVQRMN-VIFPVBQESA-N	308.762	1.590	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](c2ccccc2)n2cccn2)ncn1	734254399	SWJQOQAACQQNEW-HNNXBMFYSA-N	308.345	1.714	50	20	DDGD	
CN1CCCC[C@@H]1C(=O)NNC(=O)c1cc2c(s1)CCC2	732260608	WHKROYQXRXWZTH-LLVKDONJSA-N	307.419	1.482	50	20	DDGD	
CC(C)C[C@@H]1C[C@H]1NC(=O)NNC(=O)c1cccc(C#N)c1	838754091	FECSQJHOIYWCMW-ZIAGYGMSSA-N	300.362	1.937	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](C)c1ccccc1OC(C)C	731280742	CNCMKQNIWJVCMV-LBPRGKRZSA-N	323.393	1.902	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	732258214	JFTBOTRJKGTDNR-URZJAHPPSA-N	319.449	1.835	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cccc(OCC(F)(F)F)c1	910160713	NENHQVCQQHOBGJ-SECBINFHSA-N	306.284	1.585	50	20	DDGD	
CC[C@@H](C(=O)NNc1cnccn1)N(C)C(=O)OC(C)(C)C	832395538	MXLICXUADHOFNG-JTQLQIEISA-N	309.370	1.565	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@H]2CCCO2)c1F	837312957	GYTPHNUVKRAFQJ-SECBINFHSA-N	311.313	1.417	50	20	DDGD	
CCOC1CC(CCNC(=O)NNC(=O)[C@H]2CCCCO2)C1	836420980	QKBLCVDJCNUBRP-WXRRBKDZSA-N	313.398	1.091	50	20	DDGD	
O=C1[C@@H](NS(=O)(=O)CCl)CCCN1C1CCCCC1	831210688	JGKVNCRFWCCYKE-NSHDSACASA-N	308.831	1.426	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1	912580612	SXBAVHQUBGRCDD-LLVKDONJSA-N	321.515	1.654	50	20	DDGD	
CSc1ccc(C(C)=NNC(=O)C(=O)N2CCCC2)cc1	748137870	XRTXQKACLBYATR-UHFFFAOYSA-N	305.403	1.871	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNC(=O)CNc1ccc(C)cc1	842224957	RJDSGHDCBOSOBU-AWEZNQCLSA-N	307.394	1.615	50	20	DDGD	
CC(C)(C)NC(=O)NNC(=O)c1nnc(O)c2ccccc12	915876923	RUHZOVDNWFWNCL-UHFFFAOYSA-N	303.322	1.078	50	20	DDGD	
O=C(N1CCCNCC1)[C@@]12CC[C@@H](C[C@H]1Br)C2	846662033	JFULRKGDWKNTLF-DMDPSCGWSA-N	301.228	1.762	50	20	DDGD	
NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1cc(Cl)ccc1Cl	847600068	BAVMOVDARLOQPU-HTQZYQBOSA-N	302.161	1.948	50	20	DDGD	
O=C(NNC(=O)c1nc(F)ccc1Br)NC1CC1	847390898	OEJBZLCASRKMBM-UHFFFAOYSA-N	317.118	1.090	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)COc2cc(C)cc(C)c2)o1	847287616	XJKPRQZHNJEBGJ-UHFFFAOYSA-N	318.329	1.745	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCCOC1CCC1	743695495	FSAPUQBJTAEGIV-UHFFFAOYSA-N	309.341	1.268	50	20	DDGD	
C[C@H](CCOc1ccccc1)C(=O)NNC(=O)c1ccccn1	744456741	GOUQRUTYVUDGGO-CYBMUJFWSA-N	313.357	1.948	50	20	DDGD	
CC(CS(=O)(=O)c1ccccc1)=NNC(=O)[C@H]1CCO[C@@H]1C	842551252	CKEWTYWVHIRDMG-OCCSQVGLSA-N	324.402	1.377	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCN(C)[C@@H]2C)c1C	844127505	DWYKTKQSPQCGBJ-CHWSQXEVSA-N	320.462	1.961	50	20	DDGD	
CCOC(=O)c1cc(/C=C(\C#N)C(=O)[C@H]2CCCOC2)[nH]n1	843269161	PVSGFNFKXWHAJV-OTXQMUPVSA-N	303.318	1.489	50	20	DDGD	
N#Cc1c[nH]c(C(=O)NNC(=O)NCCc2cccs2)c1	748528127	CDXBOHYXCQYKLB-UHFFFAOYSA-N	303.347	1.135	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCCNc1ccc([N+](=O)[O-])cc1	915932204	YNRMAHQFXVVRLY-UHFFFAOYSA-N	323.353	1.383	50	20	DDGD	
CCCn1nc(C)c(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1C	843654866	SVWPLMCZWUFKAN-VXGBXAGGSA-N	308.382	1.096	50	20	DDGD	
CCC(=NNC(=O)COc1ccc(OC)cc1)[C@H]1CCOC1	741836429	DZGURQUMIFZHBD-LBPRGKRZSA-N	306.362	1.993	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccccc1Cn1cccn1	746234347	DHFXQDROHFEAAN-UHFFFAOYSA-N	324.344	1.038	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)c1ccncc1F	741208051	YLTIYJJOWWOMCC-UHFFFAOYSA-N	307.256	1.200	50	20	DDGD	
Cc1cccc(C2(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)CC2)c1	843643845	APKLYPDSZZNDBV-TZMCWYRMSA-N	302.374	1.599	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H]1CCCc2ccc(OC)cc21	847687752	WIIPJZXIXNQUDI-ZDUSSCGKSA-N	305.378	1.808	50	20	DDGD	
CC[C@H]1CCCN1CC(=O)NNC(=O)c1ccccc1Cl	744396896	VMXZHEYUKDKHIB-NSHDSACASA-N	309.797	1.975	50	20	DDGD	
CCONC(=O)CNC(=O)NNc1cc(Cl)ccc1C	923084124	VZLHYCLMQIGELA-UHFFFAOYSA-N	300.746	1.342	50	20	DDGD	
COc1ccc([C@@H](C)C(C)=NNC(=O)C(=O)NC(C)C)cc1	747629852	MSXSUNQDABVQCA-NSHDSACASA-N	305.378	1.815	50	20	DDGD	
C[C@H]1OC(=O)N[C@H]1C(=O)NNc1cccc(Cl)c1Cl	841443776	XOTPKIWUEPUJLS-MLUIRONXSA-N	304.133	1.933	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H]1CCCCC1(C)C	757766073	WFQOFEYOPCUUSM-NWDGAFQWSA-N	315.414	1.337	50	20	DDGD	
COc1nc2ccccc2cc1C=NNC(=O)c1cnn(C)c1	755731458	SHLRRMSZRWGFIW-UHFFFAOYSA-N	309.329	1.741	50	20	DDGD	
C[C@]1(CNC(=O)NCc2cccnc2O)C[C@@H]1Br	858627485	ALBBEPATHKMQGM-JOYOIKCWSA-N	314.183	1.760	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@@H]1CCCN1CC(F)F	858205481	CAJCVIUMYYDBIE-VIFPVBQESA-N	306.357	1.092	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1cccc(F)n1)[C@@H]1CCCO1	852227556	DWRNXQUWZIIXCJ-ONGXEEELSA-N	310.329	1.122	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@@H]2CCc3n[nH]cc3C2)o1	756954310	XEZSNCPCPPFRTI-SECBINFHSA-N	314.349	1.641	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cc(O)cc([N+](=O)[O-])c1	855090820	RGDOCEMKYRJUBC-UHFFFAOYSA-N	324.362	1.209	50	20	DDGD	
CN(C)[C@@]1(CNC(=O)NNc2ccc(F)cn2)CCSC1	753912128	VDUSUQWXNFOKIW-CYBMUJFWSA-N	313.402	1.284	50	20	DDGD	
CCOCC(=O)NN=C1C(=O)Nc2ccc(C(F)(F)F)cc21	754257966	GEJUAFDCKNSBGY-UHFFFAOYSA-N	315.251	1.514	50	20	DDGD	
C/C(=C/C(=O)NNC(=S)N[C@H](C)C1CC1)c1cnccn1	855094383	ATUXNKMCMYFEDM-UJICNMFASA-N	305.407	1.174	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc(O)c([N+](=O)[O-])c1)C1CC1	855100290	YPVDBVPKSRRZLL-SSDOTTSWSA-N	324.362	1.208	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NC[C@]2(C)CCCO2)c1	755083282	AXFPHKVVEMPVAZ-INIZCTEOSA-N	321.377	1.273	50	20	DDGD	
COC(=O)[C@@]1(NC[C@H](CBr)C2CC2)CCOC1	859221960	RGIJVFDDEZJGFQ-CMPLNLGQSA-N	306.200	1.329	50	20	DDGD	
Cc1noc(C)c1C(C)(C)C(=O)NNC(=S)NCC1CCC1	855089828	IDZXCCQWVLGMLN-UHFFFAOYSA-N	324.450	1.864	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)COc2cccc(C)c2)c(C)n1	858127916	UVJLBFKQNXQBKD-UHFFFAOYSA-N	316.361	1.360	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1cccc(C(N)=O)c1	755660743	JPHVATZHXAKIFO-UHFFFAOYSA-N	311.341	1.487	50	20	DDGD	
CO[C@@]1(C)CCCN(C(=O)NNC(=O)c2cccc(F)n2)C1	852710710	VKUJCEBSLPKEIL-AWEZNQCLSA-N	310.329	1.076	50	20	DDGD	
CCNC(=O)C(C)(C)CNC(=O)NNc1ccc(C)c(F)c1	853880723	OMRZVUONLCQRDZ-UHFFFAOYSA-N	310.373	1.923	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=Cc1cnc2ncccn12	755508449	MPGPZRVJNCVEBD-UHFFFAOYSA-N	323.356	1.821	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)/C=C/c1ccco1	855829521	WORQVAASLSUEED-CMDGGOBGSA-N	321.377	1.383	50	20	DDGD	
O=C(Cc1cc(Cl)cc2c1OCC2)NNc1cccnn1	756206138	KCZFUQAAMNMTQX-UHFFFAOYSA-N	304.737	1.751	50	20	DDGD	
O=C(COC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)NNC(=O)c1ccccc1	753874638	NIHOAIMGRNTWSN-FPMFFAJLSA-N	316.357	1.427	50	20	DDGD	
O=C(CCc1ccccc1O)NN=Cc1cnc2ncccn12	755700971	XPIYCNDVHBUQED-UHFFFAOYSA-N	309.329	1.518	50	20	DDGD	
O=C(CN1CCCC(F)(F)CC1)NNC(=O)c1ccccc1	859535793	OSFVUPYPXGHEOA-UHFFFAOYSA-N	311.332	1.569	50	20	DDGD	
CO[C@](C)(C(=O)NNc1cccc(F)n1)C(=O)OC(C)(C)C	854443334	VGGKIGIIJZMKLP-CQSZACIVSA-N	313.329	1.411	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ccc2n[nH]cc2c1)C1CC1	855104105	ZKWYTRDLSAOSNF-QMMMGPOBSA-N	303.391	1.470	50	20	DDGD	
CCCCOc1ccc(C=NNC(=O)CS(C)(=O)=O)cc1	863189919	IWMQSABINGBCTL-UHFFFAOYSA-N	312.391	1.360	50	20	DDGD	
CNC(=S)N(C)NC(=O)/C=C\c1ccc(SC)s1	861961457	WJYZHWNEMIHNOS-XQRVVYSFSA-N	301.462	1.951	50	20	DDGD	
CCOC(=O)NN=C1C(=O)Nc2ccc(OC(F)(F)F)cc21	863065023	FKKQIJOKCDRBGB-UHFFFAOYSA-N	317.223	1.988	50	20	DDGD	
C[C@@H]1CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C[C@@H]1C	766992589	VZTQIHJVOSOEAY-OLZOCXBDSA-N	314.389	1.297	50	20	DDGD	
CCc1[nH]nc(C(=O)NN=c2cc[nH]c(C)c2)c1Br	862511817	BYHKRSBXMLZXNR-UHFFFAOYSA-N	324.182	1.617	50	20	DDGD	
CC(C)N1CCC[C@@H]1C(=O)NNC(=O)NCCc1cccs1	930734672	NVFXROSCKRXODI-CYBMUJFWSA-N	324.450	1.494	50	20	DDGD	
Cn1cc(C=NNC(=O)[C@H]2CCC(=O)N2)c2cc(F)ccc21	863153446	USJHWDWMOISNBD-GFCCVEGCSA-N	302.309	1.046	50	20	DDGD	
COc1ccc2c(c1)C[C@@H](C(=O)NN[C@@H](C)C(F)(F)F)CO2	862306905	FKCUJHFFHKWMDQ-WCBMZHEXSA-N	318.295	1.818	50	20	DDGD	
COc1ccccc1[C@@H](C)CC(=O)NNC(=O)c1cn[nH]c1	862471980	RIEJWDGNIFLORY-JTQLQIEISA-N	302.334	1.373	50	20	DDGD	
C[C@@H](NNC(=O)[C@H]1CC(c2cccc(F)c2)=NO1)C(F)(F)F	862307787	PTOPLFKWSWESIS-RDDDGLTNSA-N	319.258	1.890	50	20	DDGD	
C=CCOc1cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)CC)c1	764082581	OJHDKMIVDBHWPE-NSHDSACASA-N	319.361	1.383	50	20	DDGD	
COC1(C=NNC(=O)NCCc2cccs2)CCOCC1	761798878	DCRGIWSKHJNQDQ-UHFFFAOYSA-N	311.407	1.771	50	20	DDGD	
C[C@H](OC[C@H]1CCCO1)C(=O)NNCC(F)(F)C(F)(F)F	863094928	YRUANSDTZNSACJ-JGVFFNPUSA-N	320.258	1.389	50	20	DDGD	
CC(C)c1cccc(C(=O)NNC(=O)NCc2ccco2)n1	762064128	PPPKCRBBLIXPCX-UHFFFAOYSA-N	302.334	1.942	50	20	DDGD	
O=C1NC[C@@H](COC(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)O1	869459599	GWDNAEOKDMXZOY-APOZVJGGSA-N	318.167	1.592	50	20	DDGD	
O=C(NNc1cccc(F)c1Cl)[C@H]1CCCS1(=O)=O	862507506	GZPRWRRNRZRXTO-SECBINFHSA-N	306.746	1.499	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CCCc2ccsc2)n[nH]1	869014517	IKRBFWVWPSSNOQ-UHFFFAOYSA-N	306.391	1.492	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc2occc2c1	861796979	MFKSODIZTQDAKQ-UHFFFAOYSA-N	303.318	1.565	50	20	DDGD	
COC[C@](C)(O)C(=O)NNc1c(Cl)cc(F)cc1Cl	768013240	QZQOCLBQMDANRK-NSHDSACASA-N	311.140	1.973	50	20	DDGD	
CCOc1cccc(C=NNC(=O)c2sc(N)nc2C)n1	763162588	CSQFCJZECNSMGH-UHFFFAOYSA-N	305.363	1.591	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])cnc1O	768243768	XUYXZFFCNAMIDS-UHFFFAOYSA-N	319.233	1.361	50	20	DDGD	
COc1cc(C#N)ccc1NC(=O)NNC(=O)C1CCCC1	766241411	MRXFWDBXMNAOEQ-UHFFFAOYSA-N	302.334	1.910	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN[C@H](Cc2ccccc2)c2ccccc2)N1	863378383	BYUPWONTAJFWHG-DLBZAZTESA-N	323.396	1.870	50	20	DDGD	
COC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	762781085	ALEVLUAQEOGIOG-CGYDICSFSA-N	301.302	1.217	50	20	DDGD	
COc1cc(C(=O)NNc2nc(O)c3ccccc3n2)on1	768721924	RWDJWSAHKBRTFQ-UHFFFAOYSA-N	301.262	1.089	50	20	DDGD	
CCOc1cc(C=NNC(=O)COC)cc(Cl)c1OC	761818654	QBVKLRZYKKXNJK-UHFFFAOYSA-N	300.742	1.844	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@H]1CC12CCC2	760120089	FDHRUHMBPMFVFF-LLVKDONJSA-N	303.362	1.445	50	20	DDGD	
CN[C@@H](C)CCNC(=O)NNC(=O)c1ccc(Cl)cc1F	1118031593	DDSFZIVMKKQGOV-QMMMGPOBSA-N	316.764	1.421	50	20	DDGD	
COc1ccsc1C(C)=NNC(=O)C(=O)Nc1ccccn1	769793705	POGOJJAJNGNVON-UHFFFAOYSA-N	318.358	1.631	50	20	DDGD	
Cc1ccc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)s1	771891814	VLTWCLREMZYRCS-JTQLQIEISA-N	312.391	1.795	50	20	DDGD	
Cc1nn(C)c(C)c1-c1cc(C(=O)NCCCSC#N)n[nH]1	774299033	WPPSIXBNJCMOLP-UHFFFAOYSA-N	318.406	1.761	50	20	DDGD	
COc1cc(C(=O)NNc2nncc(N)c2Cl)ccc1F	1116300201	SWHZOKOKSWKUEH-UHFFFAOYSA-N	311.704	1.617	50	20	DDGD	
CC(=NNC(=O)c1ccnc(N(C)C)c1)c1ccc(F)cn1	770606498	NDIRSGLPRUKAMI-UHFFFAOYSA-N	301.325	1.836	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2cnc3c(c2)NC(=O)CO3)c1	770811065	GSJMHYNOHFAODX-UHFFFAOYSA-N	309.285	1.041	50	20	DDGD	
C=Cn1cc(C=NNC(=O)[C@H](C)CN2C[C@H](C)O[C@H](C)C2)cn1	773027260	YLMUQCHOTZZSDM-MCIONIFRSA-N	319.409	1.179	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)CN(C)C)c(-c2ccccc2)s1	779197058	MHAZFCNTCDBCOO-UHFFFAOYSA-N	318.402	1.441	50	20	DDGD	
COc1cc(C(=O)NNc2ncccc2C(F)(F)F)nn1C	776155620	GDJNAPPEBYWICB-UHFFFAOYSA-N	315.255	1.599	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)CCSc1ccccc1	771869205	UZEXSMJOAMGDRP-NSHDSACASA-N	324.402	1.658	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2ccc(F)cn2)cn1C1CC1	874648304	LKVIAMUJESAWNF-UHFFFAOYSA-N	302.309	1.783	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)C2CCCC2)c(F)c1	772139954	PJYOCTHZCPRLHT-UHFFFAOYSA-N	308.309	1.564	50	20	DDGD	
CCc1nn(C)cc1C=NNC(=O)[C@@H](C)CN1CCCCCC1	770597372	WAIIRSFHWOZVDH-AWEZNQCLSA-N	319.453	1.945	50	20	DDGD	
Cc1cnccc1C(=O)NNC(=O)c1nnc(O)c2ccccc12	770209153	RDTLSBQWMJJDBA-UHFFFAOYSA-N	323.312	1.114	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)COc1cc(C)ccc1C	771967450	HRRLXGUQGUAALW-GFCCVEGCSA-N	322.361	1.171	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@H](OC)C(C)C	771712356	DQSZHXBBPVQOIR-OAHLLOKOSA-N	308.378	1.446	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(C)n([C@@H](C)C2CC2)n1	887146781	KZILAUIGQJSBGZ-LBPRGKRZSA-N	302.378	1.727	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)[nH]1	772951729	DYWAVBCKZRACPQ-MRVPVSSYSA-N	322.752	1.600	50	20	DDGD	
COC1CCC(C(=O)NNC(=O)c2ccc(C)c(O)c2)CC1	882050402	WNHOJEORQMPMTB-UHFFFAOYSA-N	306.362	1.667	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1csc(-c2ccoc2)n1	883063462	PTKZYWSUUROEIC-UHFFFAOYSA-N	321.358	1.591	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)[C@@H](F)C(C)C	784153302	CBLFKUHXVBPGPP-ZDUSSCGKSA-N	314.382	1.929	50	20	DDGD	
CCOC(=O)c1ccc(CNS(=O)(=O)CCCCCl)o1	780811472	YEBRTZMCHCQCBC-UHFFFAOYSA-N	323.798	1.895	50	20	DDGD	
C[C@H](NS(=O)(=O)CBr)c1cccc(C#N)c1	782460565	MSZKEQZFYBJCBP-QMMMGPOBSA-N	303.181	1.891	50	20	DDGD	
CC(=O)Nc1cccc(OS(=O)(=O)CBr)c1	782398390	KMNSXNRSGBDARX-UHFFFAOYSA-N	308.153	1.706	50	20	DDGD	
COc1ccc2c(c1)CC[C@H](C(=O)NNC(=O)CC1CC1)C2	880141225	OFRUWUHEUCGTRA-AWEZNQCLSA-N	302.374	1.748	50	20	DDGD	
Cc1cccc(NNC(=O)Cc2ccn(CC(F)(F)F)n2)n1	899538578	UUCCYAUOZZJKFH-UHFFFAOYSA-N	313.283	1.835	50	20	DDGD	
Cc1cccc(OCC(=O)NN=Cc2ccccc2C(N)=O)c1	788699739	KLLBGJVYLPZVCY-UHFFFAOYSA-N	311.341	1.623	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cnc(Cl)cn1)c1ccccc1	787885251	VPSRUKZFRBCREF-UHFFFAOYSA-N	318.764	1.869	50	20	DDGD	
Cn1nnc(CNC(=O)NNc2ccc(Cl)cc2Cl)n1	787436594	DCJZNQFELMSOED-UHFFFAOYSA-N	316.152	1.343	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H](C)[C@H]2CCCOC2)n1	780042415	DAFYJOIXJRBIEB-MNOVXSKESA-N	309.370	1.235	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCc1cccc(OC)c1OC	780708309	FEZNRSRFUFSGDS-UHFFFAOYSA-N	309.366	1.329	50	20	DDGD	
Cc1c(NNC(=O)c2cccnc2C(N)=O)cccc1[N+](=O)[O-]	787464356	LQRWAKCEAYOVHB-UHFFFAOYSA-N	315.289	1.154	50	20	DDGD	
CC[C@H](O)[C@H](C)C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	899947956	AWZDZXJMWVPOHG-IHRRRGAJSA-N	322.405	1.625	50	20	DDGD	
C#Cc1cccc(NC(=O)C(=O)NNc2ncncc2Cl)c1	782159137	NDCFVYVEZLPPNY-UHFFFAOYSA-N	315.720	1.193	50	20	DDGD	
O=C(NNc1cccc2c1CCCC2)C1CN([C@H]2CCOC2)C1	897151102	QIHOERUYVCNVQX-HNNXBMFYSA-N	315.417	1.729	50	20	DDGD	
COCCCNC(=O)NN=Cc1c[nH]nc1-c1ccsc1	780212173	DIAXQKYQNTXHAD-UHFFFAOYSA-N	307.379	1.808	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)Nc1ccnn1CC1CC1	792394937	UCGYITSTPAYMHD-UHFFFAOYSA-N	312.337	1.484	50	20	DDGD	
CCc1c(NC(=O)NNC(=O)COC)cnn1C(CC)CC	792498363	ZSXFAFHCTOSTHP-UHFFFAOYSA-N	311.386	1.606	50	20	DDGD	
CSc1c(F)cccc1C(=O)NNC(=O)N1CCOCC1	797845125	MYGRXWPABQWNRE-UHFFFAOYSA-N	313.354	1.234	50	20	DDGD	
CC(C)n1nccc1C=NNC(=O)c1ccc2c(c1)OCO2	794457384	WXBWZNCYQNUHET-UHFFFAOYSA-N	300.318	1.957	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=S)NC(C)(C)C)CCC1	899996860	WHALKEJYSHFBOP-UHFFFAOYSA-N	301.412	1.014	50	20	DDGD	
N#Cc1ccc(Cl)c(C(=O)NNC(=O)NCc2ccco2)c1	795588567	WGOZIAZVWUNCKL-UHFFFAOYSA-N	318.720	1.949	50	20	DDGD	
CC(=NNC(=O)Cc1ccncc1)c1ccc2c(c1)OCC(=O)N2	794916220	YOSFOFZQBYUFPF-UHFFFAOYSA-N	324.340	1.495	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)Nc1cccc(F)c1	794799126	KDYZISGIWTXEIF-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc2nccnc2cc1F	791476338	VVIDYRUDSBEHOJ-UHFFFAOYSA-N	313.292	1.182	50	20	DDGD	
CCOC(=O)[C@@H](CC)SCC(=O)NNC(=O)C(C)(C)C	794427088	GOILWFCYBCHKLZ-SECBINFHSA-N	304.412	1.255	50	20	DDGD	
Cc1oc(C#N)cc1C(=O)NNC(=O)Cc1c[nH]c2ccccc12	797792572	YVTCEXPURTZJNT-UHFFFAOYSA-N	322.324	1.945	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CC[C@@](C)(C(N)=O)C1	794359103	PLDKEEAUEVKRCY-PRHODGIISA-N	305.216	1.520	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1NC(=S)NNC(=O)C[n+]1ccccc1	1318442627	VHNKOKJBSISAMM-OLZOCXBDSA-O	307.443	1.048	50	20	DDGD	
CC1CCN(CCC(=O)NN=Cc2ccc(O)cc2O)CC1	1317712881	VZZPAFZAJLVRGS-UHFFFAOYSA-N	305.378	1.670	50	20	DDGD	
Cc1cc(C)n2ncc(C(=O)NNc3nc4ccccn4n3)c2n1	1320827153	MSRNEGKDMHZCQA-UHFFFAOYSA-N	322.332	1.146	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccn(C)n2)c(Br)n1	1321388501	LXIUMDGCPVBCPU-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
COC(=O)C(=O)NN=C1CCc2sc(Br)cc21	1324202200	NHTHKGYPORVAEI-UHFFFAOYSA-N	317.164	1.450	50	20	DDGD	
O=C(NNC(=O)C1(Oc2ccccc2)CC1)OCC(F)(F)F	1328422895	UHXJYHGFRWAILH-UHFFFAOYSA-N	318.251	1.918	50	20	DDGD	
CC1(C)C[C@H](NC(=O)NNc2nncc(N)c2Cl)CCO1	1320287921	KFQQGKOMUHGFDE-SSDOTTSWSA-N	314.777	1.296	50	20	DDGD	
C[C@@H](NC(=O)CCc1ccccc1)C(=O)NNc1ccncn1	1324540570	APUPUXMEJVSAFZ-GFCCVEGCSA-N	313.361	1.057	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1CCc2c(O)cccc21	1328142688	DNPATOQGYPPWMR-KWBADKCTSA-N	319.361	1.135	50	20	DDGD	
CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)CCl)cc1	1333475113	WVAKDICQGUEQRB-UHFFFAOYSA-N	318.826	1.369	50	20	DDGD	
CCn1cc([C@H](C)NC(=O)NNc2nncc(N)c2Cl)cn1	1261295540	BRZIDAUCAIUZNL-ZETCQYMHSA-N	324.776	1.316	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc2nnc(C(F)F)n2c1)C(F)(F)F	1335312837	FDKFCSOTYIMVIO-RXMQYKEDSA-N	323.225	1.852	50	20	DDGD	
O=C(NCc1cnccn1)NNC(=O)c1cc2c(s1)CCC2	1263282874	LONDUHRHZHYFKX-UHFFFAOYSA-N	317.374	1.171	50	20	DDGD	
O=C(NNC(=O)c1cccc2ncccc12)c1cnc(C2CC2)[nH]1	1340276908	QNTKTDDUFVQNBS-UHFFFAOYSA-N	321.340	1.910	50	20	DDGD	
CS[C@H]1CC[C@H](NC(=O)NNc2nncc(N)c2Cl)C1	1340525737	CVTKCFLPUZXUMV-BQBZGAKWSA-N	316.818	1.622	50	20	DDGD	
C[C@@]1(COC(=O)c2ccc(C(N)=O)o2)C[C@H]1Br	1263536576	ATTBWPBJNPJAKS-KCJUWKMLSA-N	302.124	1.709	50	20	DDGD	
C[C@H]1COCCN1CCNC(=O)NNc1ccc(F)c(F)c1	1354149532	RAHWMVNLDMJJPC-JTQLQIEISA-N	314.336	1.312	50	20	DDGD	
CC(C)[C@H](C(=O)O)C(=O)NNC(=O)c1cc(Cl)ccc1O	1602969560	AFTRTUTVBZOVEM-JTQLQIEISA-N	314.725	1.163	50	20	DDGD	
NC[C@@H]1CC[C@H](NC(=O)NNc2ccc(C(=O)O)c(F)c2)C1	1601184256	ISWUTALKJYQXRQ-BDAKNGLRSA-N	310.329	1.277	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2CCCn3ncnc32)cc1F	1602385091	QVRXYESJANKAFI-JTQLQIEISA-N	319.296	1.136	50	20	DDGD	
O=C(O)[C@H]1CC[C@H](C(=O)NNc2cccc([N+](=O)[O-])c2)CC1	1602212980	GOPVUTZEGHUUMI-MGCOHNPYSA-N	307.306	1.929	50	20	DDGD	
COc1ccc(CC(=O)NNc2ncccc2C(=O)O)cc1	1604780549	UPJGFOZDULDBMZ-UHFFFAOYSA-N	301.302	1.474	50	20	DDGD	
O=C(Cc1ccc(O)cc1)NNc1ccc(C(=O)O)c(F)c1	1601361063	HHRDLDYHXZXELI-UHFFFAOYSA-N	304.277	1.915	50	20	DDGD	
Cc1c(NNC(=O)c2cccn(C)c2=O)cccc1C(=O)O	1600053945	AJHLISMATONQQU-UHFFFAOYSA-N	301.302	1.149	50	20	DDGD	
Cc1c(NNC(=O)C[C@H]2CCCC(=O)N2)cccc1C(=O)O	1600052276	GNOMJNYMXVWHAA-SNVBAGLBSA-N	305.334	1.195	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCC(CCC(=O)O)CC2)cn1	1600945611	HYBZNAGXMAQWHV-ZSOIEALJSA-N	316.361	1.430	50	20	DDGD	
O=C(NN=C1CC[C@@H](C(=O)O)C1)Nc1ccc2c(c1)OCO2	1601552396	TXZBVOZIOWFWID-MRVPVSSYSA-N	305.290	1.778	50	20	DDGD	
O=C(NNc1cccc(C(=O)O)c1)N[C@@H]1CC[C@H](C(=O)O)C1	1610699926	JNXCUCMXMXAANR-VHSXEESVSA-N	307.306	1.264	50	20	DDGD	
C[C@@H]1OCC(=NNC(=O)[C@@H]2CCCO[C@@H]2c2nccn2C)[C@@H]1C	1549317337	UTMPJGHIILBCML-CZXHOFHRSA-N	320.393	1.415	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)cc[nH]1	1579635633	IXOGAXWFTDKBQV-HNNXBMFYSA-N	315.333	1.037	50	20	DDGD	
CC(=O)C(C)(C)CCC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1588782750	VYTKJCVMVFFZFR-UHFFFAOYSA-N	317.353	1.100	50	20	DDGD	
CCCC(=O)N1CCCC12CN(C(=O)[C@H](C)Br)C2	1842658814	IPZXSOUEGPXCBG-JTQLQIEISA-N	317.227	1.773	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)COCC)C2	1841667393	IUHAPKILCFLAHB-LBPRGKRZSA-N	316.829	1.634	50	20	DDGD	
CC1CCN(CC(=O)NNc2cccc(C(=O)O)c2F)CC1	1594414451	GBNPKAJBXIUWHS-UHFFFAOYSA-N	309.341	1.699	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1c[nH]c2ccc(C(=O)O)cc12	1594643197	RQZMLWXPZMUYCU-CABZTGNLSA-N	315.329	1.741	50	20	DDGD	
CC[C@H](O)CC(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1590476687	XYPCHCCSVJQPJK-QMMMGPOBSA-N	310.745	1.124	50	20	DDGD	
C[C@H](NS(=O)(=O)CCl)[C@H](Cc1ccccc1)C(=O)O	1593319383	NQFRFAZSDWMRNW-ONGXEEELSA-N	305.783	1.434	50	20	DDGD	
CC1(C)OCC[C@@H]1NC(=O)NNc1ccc(F)c(C(=O)O)c1	1593982774	XDMKCVYBEDBJHU-NSHDSACASA-N	311.313	1.718	50	20	DDGD	
COC(=O)NNC(=O)Nc1cccc(SCCC(=O)O)c1	1598884381	XIMJXFURECLMEY-UHFFFAOYSA-N	313.335	1.646	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)c1cccc(O)c1O	1599376508	NPXMAUQABFYNGH-UHFFFAOYSA-N	318.285	1.562	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=Cc1c(F)cc(C(=O)O)cc1F	1776058079	DXWUTDVIJPELBS-UHFFFAOYSA-O	320.275	1.101	50	20	DDGD	
CCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](Cl)CC)C2	1795606674	ZZEROCUAGQOVIC-YVECIDJPSA-N	316.829	1.679	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)COc1ccc(C#N)cc1	15888966	NOBLNZIABNDOQP-UHFFFAOYSA-N	309.325	1.707	50	20	DDGD	
COc1ccc(C(=O)NNc2ccc(C)cc2)cc1-n1cnnn1	161871368	PKYFHAABDJPFJI-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
O=Cc1ccc(OCC(=O)NNc2ccc([N+](=O)[O-])cc2)cc1	151204820	ICWURWDEUYRVAH-UHFFFAOYSA-N	315.285	1.929	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)c2cc(C)n[nH]2)c1	153124284	DSESALDUDKDGSC-UHFFFAOYSA-N	302.334	1.121	50	20	DDGD	
COc1ccc([C@H](NC(=O)NNC(C)=O)C(F)(F)F)cc1	155016179	PQBAKSNWZZWDFJ-JTQLQIEISA-N	305.256	1.649	50	20	DDGD	
O=C(CNS(=O)(=O)CCCCCl)OC1CCCCC1	154537565	MVHHGXFTUYFDAV-UHFFFAOYSA-N	311.831	1.801	50	20	DDGD	
N#Cc1ccc(NC(=O)NNC(=O)c2ccc(C#N)cc2)cc1	57979921	CSKHLUVRQZACFZ-UHFFFAOYSA-N	305.297	1.896	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Cc1c(F)cccc1Cl	103424881	HRPPYTNLBVCQED-UHFFFAOYSA-N	321.739	1.807	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CCCCNC(N)=O)c1ccccc1	110964417	WRUHRTVEPCBOON-ZDUSSCGKSA-N	320.393	1.166	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)Cn2nc(C)cc2C)cc1	52804837	BORYSLRGIMTYRM-UHFFFAOYSA-N	301.350	1.661	50	20	DDGD	
Cc1ccccc1-n1cc(C(=O)NNC(=O)C(C)(C)C)cn1	112194379	WIBXCSGUOYXIAV-UHFFFAOYSA-N	300.362	1.988	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnn2c(-c3ccccc3)ccnc12	65189818	MQAPKNLQVYEALL-UHFFFAOYSA-N	324.344	1.360	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCOC1)c1cc(-c2ccccc2)n[nH]1	171289624	SFSJEZZIRBYYBC-GFCCVEGCSA-N	314.345	1.264	50	20	DDGD	
Cn1c(=O)[nH]c2cc(C(=O)NNc3ccc(F)cc3F)ccc21	113429825	SNRNZOSCNNORMP-UHFFFAOYSA-N	318.283	1.902	50	20	DDGD	
C[C@H](OC[C@H]1CCCCO1)C(=O)NNC(=O)c1ccccc1O	66896960	VDVTUKLIVSTXIA-NWDGAFQWSA-N	322.361	1.127	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccccc1)Cc1cccc(C#N)c1	26324301	LUWZZKQGORZJFW-UHFFFAOYSA-N	322.368	1.451	50	20	DDGD	
Cc1noc(CCCC(=O)NNC(=O)Cc2ccccc2F)n1	66839732	XZFIWZGUMKLPBG-UHFFFAOYSA-N	320.324	1.230	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCc1cccs1	65204346	HTCVJZVEAFBCHL-UHFFFAOYSA-N	319.386	1.943	50	20	DDGD	
O=C(NNC(=O)c1cnn(-c2ccccc2)c1)Nc1ccncc1	113361845	RKHWOGIHPROJOC-UHFFFAOYSA-N	322.328	1.734	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1c(C)nn(C(F)F)c1C	65597259	AGFFXAKGJNEAJU-UHFFFAOYSA-N	317.340	1.568	50	20	DDGD	
Cc1noc(C)c1[C@H](C)C(=O)NNC(=S)N[C@H](C)C1CC1	175543013	DZSWRDHDCOMZRQ-JGVFFNPUSA-N	310.423	1.689	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C	67235933	UCBDYIQGKAZVEX-SECBINFHSA-N	302.375	1.030	50	20	DDGD	
Cn1c(C(=O)NNC(=O)NC2CC2)c(Cl)c2ccccc21	64900444	CRYPNLZJAAHEIM-UHFFFAOYSA-N	306.753	1.938	50	20	DDGD	
CCCCCC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1	31672913	MMQXYTXJJLKVPT-UHFFFAOYSA-N	312.391	1.431	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	184980349	HMNJMQQFNORRQF-NSHDSACASA-N	306.337	1.790	50	20	DDGD	
COc1ccc(-c2noc(CCCC(=O)NNC(C)=O)n2)cc1	31591328	DIAPEAIOHAQUOG-UHFFFAOYSA-N	318.333	1.235	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNc2cc(Cl)nc(N)n2)[nH]n1	182778867	HBOXVURQJLHDOI-UHFFFAOYSA-N	309.761	1.490	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)CCc2cccnc2)cc1	72777739	MEKVSQOZAMURFM-UHFFFAOYSA-N	312.373	1.582	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)s1	122653240	ZYJYUMDTYBXXCY-ONGXEEELSA-N	322.434	1.626	50	20	DDGD	
O=S(=O)(CCCCCl)Oc1cccc(-n2cnnn2)c1	188236017	USAQPTZWGMSVGI-UHFFFAOYSA-N	316.770	1.390	50	20	DDGD	
O=C(/C=C/c1ccc(O)cc1)NNC(=O)NCc1ccco1	123762897	PGPCNEXNCXKPKR-VMPITWQZSA-N	301.302	1.529	50	20	DDGD	
CNC(=O)c1cccc(NC(=O)NNC(=O)CC(C)(C)C)c1	183281161	RIUATNIVBUHGJP-UHFFFAOYSA-N	306.366	1.635	50	20	DDGD	
O=C(COc1ccccc1Cl)NNC(=O)NCc1ccco1	120160781	LLKPANXDVNUMGV-UHFFFAOYSA-N	323.736	1.842	50	20	DDGD	
N#C/C=C(\c1ccccc1)N1CCN(C(=O)[C@H]2CCCO2)CC1	78668593	LTHFAFOWHPRLON-QLGNDSFESA-N	311.385	1.874	50	20	DDGD	
Cc1noc(C)c1[C@H](C)NC(=O)NNC(=O)c1ccccc1	73035761	OXSCIEOELNZKDQ-VIFPVBQESA-N	302.334	1.997	50	20	DDGD	
CCOC(=O)NNC(=O)c1cnn(-c2ccccc2)c1CC	71855854	PHJSTHSMDHXDMH-UHFFFAOYSA-N	302.334	1.826	50	20	DDGD	
CCCc1cnc(NC(=O)NNC(=O)Cc2cc[nH]n2)s1	184056972	XZZXMBWTMMDGLW-UHFFFAOYSA-N	308.367	1.214	50	20	DDGD	
COC(=O)NNC(=O)Nc1cccc(Cl)c1-n1cccn1	47628064	ROSGELAKLMGETD-UHFFFAOYSA-N	309.713	1.918	50	20	DDGD	
C=C(C)COCCNC(=O)NNC(=O)c1cccc(N(C)C)c1	135009104	FXTIUCVFIHVZHX-UHFFFAOYSA-N	320.393	1.289	50	20	DDGD	
O=C(C[C@H]1CCCCO1)NNC(=O)c1c[nH]c2ccccc12	87003951	DPWAAEHDIARJDK-LLVKDONJSA-N	301.346	1.888	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)Cc1csc(C)n1	42521700	FXIVOGBVTSYENH-UHFFFAOYSA-N	319.386	1.393	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cc(F)c(F)cc1F	191893951	XWLUWBAHSACJLZ-UHFFFAOYSA-N	307.235	1.904	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)c2cccn2C)s1	80005294	VTLOVPVJJPQBOO-UHFFFAOYSA-N	306.391	1.817	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2cc(OC)no2)n1	139538163	DAIGNWIQDKQHMV-UHFFFAOYSA-N	306.326	1.076	50	20	DDGD	
COc1ccc(OC)c(CC(=O)NNC(=O)CC2CCCC2)c1	195216559	AIQZJKCPXXXIOG-UHFFFAOYSA-N	320.389	1.974	50	20	DDGD	
O=C(NNc1ccncc1)Nc1cnn(Cc2ccccn2)c1	190212209	DZYGFFOUTWBDPJ-UHFFFAOYSA-N	309.333	1.870	50	20	DDGD	
N#Cc1c[nH]c(C(=O)NNc2nnc(-c3ccccn3)s2)c1	191006819	JPCFGHQJZDWCPJ-UHFFFAOYSA-N	311.330	1.557	50	20	DDGD	
CCOc1ccc2cc(C(=O)NNC(=O)c3ccc[nH]3)[nH]c2c1	97464486	JNITWLAXZVLBDC-UHFFFAOYSA-N	312.329	1.970	50	20	DDGD	
COc1cccc(NNC(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)n1	248561285	MOFJTYJZFFHELF-CHWSQXEVSA-N	321.425	1.837	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2cc(Cl)ccc2Cl)CC1	267826877	JFOZYKXSRDVLIO-UHFFFAOYSA-N	302.161	1.963	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2ccc(C)nc2)n1	266915917	AQQPZBRISOPRMD-UHFFFAOYSA-N	302.338	1.323	50	20	DDGD	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@@H]1COCCO1	264318532	OPHCPDWIYKKURT-ZDUSSCGKSA-N	307.737	1.747	50	20	DDGD	
O=C(CSCC(=O)c1ccccc1)NNC(=O)NC1CC1	263763236	DNBIBCHFOLXRHW-UHFFFAOYSA-N	307.375	1.095	50	20	DDGD	
COc1ccc(Cl)cc1C(=O)NNC(=O)[C@H]1CCCCO1	269347075	IRYFNBVMAOHTHP-GFCCVEGCSA-N	312.753	1.679	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CN1Cc2ccccc2C1=O	264323664	RTUZWKHZCNBQQJ-UHFFFAOYSA-N	305.334	1.198	50	20	DDGD	
CC(C)(CNC(=O)NNc1ncccn1)NC(=O)OC(C)(C)C	266703170	FUAMDIWDHWARDL-UHFFFAOYSA-N	324.385	1.406	50	20	DDGD	
C[C@H](CO[C@@H]1CCOC1)NC(=O)NNc1ccc(Cl)nc1	267885140	PRWYMCSIGSOPLN-MWLCHTKSSA-N	314.773	1.555	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ccc(NC(=O)C2CC2)cc1	272304062	DREXLQLXUVFQEM-UHFFFAOYSA-N	316.361	1.988	50	20	DDGD	
O=S(=O)(CBr)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1	368086106	VXTVMDIVGOHXFS-ZJUUUORDSA-N	324.240	1.702	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1	367666048	PXTRKGHZZMCOCL-MOENNCHZSA-N	311.382	1.143	50	20	DDGD	
O=C(NCC1(N2CCOCC2)CC1)NNc1ccccc1Cl	277710128	XDGJUZFPLGKDEV-UHFFFAOYSA-N	324.812	1.831	50	20	DDGD	
CCCOc1ccc(NC(=O)C(=O)NNC(=O)OC)c(C)c1	274196453	KSYCMYPESVVMEK-UHFFFAOYSA-N	309.322	1.110	50	20	DDGD	
CC(C)(C)Oc1ccccc1NC(=O)C(=O)NNC(=O)C1CC1	274043299	JSBDLYPZJQYXOO-UHFFFAOYSA-N	319.361	1.360	50	20	DDGD	
CN1CCC[C@H]1C(=O)NNc1nnc(-c2ccccn2)s1	276536502	ZGHWUUBNPWQUAO-JTQLQIEISA-N	304.379	1.137	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)[C@H]1CC12CCOCC2	360656607	IIDVWJCJQYGLQN-GFCCVEGCSA-N	323.418	1.438	50	20	DDGD	
COC(=O)[C@@H]1CCCCCN1S(=O)(=O)CBr	363717048	ZTPGXDFTJYBIOG-QMMMGPOBSA-N	314.201	1.086	50	20	DDGD	
CN(C)C(=O)c1ccc(NC(=O)NNC(=O)C2CCC2)cc1	272800945	HNPVJYVFYHQHIH-UHFFFAOYSA-N	304.350	1.341	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)OC(C)(C)C)cc1OC(F)F	274287836	MVQLYJQWRQVQGL-UHFFFAOYSA-N	306.269	1.191	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1cccc(Br)n1	272146738	WICOCJILJKRLFS-UHFFFAOYSA-N	300.156	1.651	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)[C@H]1C[C@@]12CCOC2	372017049	VJPYFJREUPEFDX-IUODEOHRSA-N	323.780	1.597	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2	377029843	NEEQQLJLLSMNCK-FNCVBFRFSA-N	309.288	1.035	50	20	DDGD	
CCOc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)C1CCC1	282022656	SIKADEGHLQTCCT-UHFFFAOYSA-N	322.321	1.946	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCCO3)O1	282622525	RUMBCECBKBDQTC-GPCCPHFNSA-N	320.345	1.032	50	20	DDGD	
O=C1O[C@@H](C(=O)NNc2ncccc2F)Cc2ccccc21	375925189	RTQFMFZETKDKAP-GFCCVEGCSA-N	301.277	1.446	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H]1CC=CC[C@H]1C	284652480	MGPQOSIXVVGXSL-TZMCWYRMSA-N	302.374	1.987	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)C(F)(F)c1ccccc1	280851520	ALKSRKYPERWIQY-UHFFFAOYSA-N	311.210	1.671	50	20	DDGD	
COC(=O)C[C@H](C)CC(=O)NNc1cc(C#N)cc(Cl)n1	809742956	OKLPQLLGRXATLQ-MRVPVSSYSA-N	310.741	1.639	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1cc(C2CC2)ccn1	290159229	QORIQAGSMMROST-JTQLQIEISA-N	322.365	1.163	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)N=c2cc[nH]cc2)cc1C=O	802028022	GZCFJEKPNKLFNU-UHFFFAOYSA-N	312.329	1.399	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@H](C)CCC=C(C)C	297637250	BPRNUXMJOPIISD-CHWSQXEVSA-N	315.414	1.503	50	20	DDGD	
CCc1cccc(OCC(=O)NNC(=O)N=c2cc[nH]cc2)c1	802023037	LKWYPECEYVFBRQ-UHFFFAOYSA-N	314.345	1.298	50	20	DDGD	
O=C(NNC(=O)N[C@H]1CCCOC1)Nc1cccc(Cl)c1	296528465	UJJFPKKIXUKIOF-NSHDSACASA-N	312.757	1.855	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)[C@H]1CC1(F)F	294781758	AOAMUVSZXHHKOL-MRVPVSSYSA-N	316.329	1.590	50	20	DDGD	
O=C(CCCNC(=O)C1CC1)NNC(=O)c1ccc(Cl)cc1	298461677	YOTUZNLIJPEOIW-UHFFFAOYSA-N	323.780	1.407	50	20	DDGD	
CC1(C)C[C@@H]1CNC(=O)NNc1ccc(-n2ccnc2)nn1	805108837	KNFMYJGBUFVRGK-SNVBAGLBSA-N	301.354	1.335	50	20	DDGD	
Cc1cc[nH]c1C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	802106892	ZXBADKFOAZVOHF-UHFFFAOYSA-N	302.290	1.518	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@H]1C[C@@H]1OCC	298681607	GBYWRKQLFYXOQS-FZMZJTMJSA-N	322.361	1.037	50	20	DDGD	
Cn1ncc2c1CCC[C@@H]2NC(=O)NNc1ccc(Cl)nn1	298699779	RFILYQYBFFTKJF-VIFPVBQESA-N	321.772	1.567	50	20	DDGD	
COc1cc(C(=O)NNc2nnc[nH]2)ccc1OCCC(C)C	293789650	CLCFAHKZCUVDID-UHFFFAOYSA-N	319.365	1.995	50	20	DDGD	
O=C(NNc1cccc(F)n1)Nc1ccc2c(c1)C(=O)NCC2	806279628	UKYYMIDONCJZBJ-UHFFFAOYSA-N	315.308	1.655	50	20	DDGD	
Cc1nc(CCC(=O)NNC(=O)N=c2cc[nH]cc2)cs1	802024076	GVIJMKBPUYITGI-UHFFFAOYSA-N	305.363	1.054	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cc(O)cc(C#N)c2)n1	809694093	JPJDWXPNVVNJRF-UHFFFAOYSA-N	303.709	1.773	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)C(=O)NNc1cccc(Cl)n1	817007113	MWAFALTWGJMMCA-UHFFFAOYSA-N	307.741	1.411	50	20	DDGD	
COc1cccc(NCC(=O)NN=C(C)c2csc(N)n2)c1	812440805	JHCOZLLCOFZLNY-UHFFFAOYSA-N	319.390	1.686	50	20	DDGD	
CC(=NNC(=O)c1cc(C)[nH]n1)c1cc([N+](=O)[O-])ccc1N	814875981	DTDVTUFZHZQPOQ-UHFFFAOYSA-N	302.294	1.363	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=Cc1c[nH]c(C(=O)O)c1	814743627	KOCIGYDNMPEHHN-UHFFFAOYSA-N	312.285	1.114	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNc1nc(O)c2ccccc2n1	812533688	IQMPQCOFVKZBLN-ZJUUUORDSA-N	304.350	1.697	50	20	DDGD	
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NN(C)C2CC2)cc1	819648380	BXIOFTLHBZTSQM-HNNXBMFYSA-N	301.390	1.611	50	20	DDGD	
CCn1ccnc1C(=O)NNC(=O)c1ccc(Cl)cc1F	813470473	JCLRAFYTTXYJND-UHFFFAOYSA-N	310.716	1.770	50	20	DDGD	
CC1(C(=O)NNC(=O)c2c[nH]c3ccccc23)CCOCC1	726767995	HEBWREIAIQCYQR-UHFFFAOYSA-N	301.346	1.746	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)[C@@H]1CCc2nncn2C1	815969036	CXMYAELBEGVSMG-GFCCVEGCSA-N	308.345	1.532	50	20	DDGD	
O=C(NNC(=O)c1cc(Cl)c[nH]1)Nc1ccc2c(c1)OCO2	813459896	XXLXNJDBYMSFSG-UHFFFAOYSA-N	322.708	1.863	50	20	DDGD	
CCC[C@@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)N(C)C	825226197	YWKFEFIBHZXLLY-LBPRGKRZSA-N	303.370	1.040	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)[C@@H]1CCC[C@@H]1c1ccccc1	822854657	RDILUIPWLHFNHY-HUUCEWRRSA-N	317.389	1.643	50	20	DDGD	
COC(=O)NNC(=O)Cc1ccc(OCc2ccccn2)cc1	495327025	VGNWBJRWIVGFJJ-UHFFFAOYSA-N	315.329	1.590	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC[C@@H](n2ccnn2)C1	491014226	WQIJUNRFKQRONA-BAAYTWLHSA-N	323.356	1.754	50	20	DDGD	
CCO/C=C/C(=O)NNc1c(OC)cccc1S(C)(=O)=O	493759456	RABUTVRXFHBWMS-CMDGGOBGSA-N	314.363	1.092	50	20	DDGD	
CC(=NNC(=O)CNC(=O)OC(C)(C)C)C(C)(C)n1cncn1	492651450	DBCHRIQVTMANDL-UHFFFAOYSA-N	324.385	1.030	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCCC[C@H]1COC(=O)NC(C)C	490941456	LBDJOJIUKSYWAM-UELRPHRMSA-N	323.393	1.946	50	20	DDGD	
C[C@@H]1C[C@@H](CCNC(=O)/C(C#N)=C/c2cnn(C)c2)CCO1	491086778	VEKMIRMHVIUSHQ-DLGWJYCXSA-N	302.378	1.648	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)c2cc(Cl)ccc2O)cn1	728959257	DNLBWBQXTQVJAP-UHFFFAOYSA-N	315.716	1.497	50	20	DDGD	
Cc1ncsc1/C=C\C(=O)NNC(=O)c1ccc(C#N)cc1	492686622	CKCQSWZMYHMGSG-SREVYHEPSA-N	312.354	1.798	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	490809032	QAPJJPFANHELPD-UHFFFAOYSA-N	301.387	1.485	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)cc1	905160955	FLVRFKKOUSTGIG-TUKIKUTGSA-N	318.398	1.460	50	20	DDGD	
Cc1nnc(CCNC(=O)[C@]2(C)C[C@@H]2Br)s1	908254989	SIJJNCVLQDYJTR-OIBJUYFYSA-N	304.213	1.679	50	20	DDGD	
Cc1cccc2c1OCC[C@H]2NCc1ccc(B(O)O)cc1F	585037719	HTFWGMBUCDDQNU-MRXNPFEDSA-N	315.153	1.427	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCO[C@@H](C(F)(F)F)C2)cn1	826137188	NYRZYUFGEZMRNH-LLMHMKPQSA-N	314.267	1.117	50	20	DDGD	
OB(O)c1ccccc1CN[C@H]1COc2cc(Cl)ccc2C1	585047116	HKJVAAIJTBEKTM-CQSZACIVSA-N	317.581	1.113	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc2nc(C(F)(F)F)cn2c1	495763153	QNIAXWKBHMBOJV-UHFFFAOYSA-N	316.239	1.696	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCN(C(=O)C2CC2)C1	491129418	GLOYEAYCJRYLPP-NTEUORMPSA-N	313.332	1.771	50	20	DDGD	
CC(C)COc1cccc(CNCc2ccc(B(O)O)o2)c1	585019625	PYCCAJUUJFKLEY-UHFFFAOYSA-N	303.167	1.284	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(OC)cc1OCCOC	492750576	VCCNQVMTJZYXMC-UHFFFAOYSA-N	312.322	1.111	50	20	DDGD	
CN(C)CC(=O)NN=Cc1ccc(OC(F)F)c(Cl)c1	731487131	KXEHQQGBPAPCTO-UHFFFAOYSA-N	305.712	1.953	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCCc3c(F)cc(F)cc32)o1	585043954	XMODUKYVRAXQTG-AWEZNQCLSA-N	307.105	1.405	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@]2(C)CCCCO2)cc1	837311045	QUZYDAQOVRGSJS-INIZCTEOSA-N	306.362	1.480	50	20	DDGD	
COc1ccc([C@@H](C)NCc2ccc(B(O)O)cc2F)cc1	585021634	YDKLHGRPHSHJEV-LLVKDONJSA-N	303.142	1.365	50	20	DDGD	
COc1cccc([C@@H]2C[C@H]2NC(=O)NNC(=O)C(C)(C)C)c1	836291821	JNGUQJUNXXSFSR-QWHCGFSZSA-N	305.378	1.928	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)CN(C)C2CCC2)cc1	908054404	XJLPUTGDDAHOFN-UHFFFAOYSA-N	319.409	1.390	50	20	DDGD	
C[C@@H](N)C[C@@H](C)NC(=O)NNC(=O)Nc1cc(F)cc(F)c1	831224044	VOYISYZGVZDXCD-HTQZYQBOSA-N	315.324	1.426	50	20	DDGD	
Cc1ccc(CN(C(=O)c2ccc(B(O)O)c(F)c2)C2CC2)o1	584929643	CTQFEGBIKZPQMD-UHFFFAOYSA-N	317.125	1.212	50	20	DDGD	
O=C(CCc1nc2ccccc2n1-c1ccccc1)NCB(O)O	585055570	BAHRCTQXOAMWSP-UHFFFAOYSA-N	323.161	1.086	50	20	DDGD	
O=C(CO)NN=C1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]12	834971007	UCRWXMHTZYJNHX-GOEBONIOSA-N	301.390	1.526	50	20	DDGD	
Cc1noc(C2CC2)c1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	831667249	OVMQVEGTNUOMRE-WPRPVWTQSA-N	308.338	1.438	50	20	DDGD	
CCCCCCO[C@H](C)C(=O)NNC(=O)[C@@H]1CCCCO1	839777469	DYESSKVMWUVKHN-OLZOCXBDSA-N	300.399	1.688	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2CCCc3c(F)cc(F)cc32)c1	585043709	TXOKFAGLSYQVCF-QGZVFWFLSA-N	317.144	1.812	50	20	DDGD	
O=C1NCC[C@H]1C(=O)NNc1ccc(OCC(F)(F)F)cc1	830810825	VLXUUNDNJKHKLE-SNVBAGLBSA-N	317.267	1.207	50	20	DDGD	
CCO[C@H]1C[C@H]1C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	733110895	XGOIVAFTASJDCS-KGLIPLIRSA-N	314.345	1.058	50	20	DDGD	
CC1(C)C[C@H](c2nc(-c3ccc(B(O)O)cc3)no2)C(C)(C)O1	585052240	VXFIUYVJAXHCPE-GFCCVEGCSA-N	316.166	1.478	50	20	DDGD	
COc1ccc(NCC(=O)NN=Cc2ccc(CO)o2)cc1	739400070	MFKOFDIFKXVUOG-UHFFFAOYSA-N	303.318	1.343	50	20	DDGD	
COc1ccc(C(=O)NNc2nccc3sccc23)nn1	738542006	YKLQJUPTVAYVKW-UHFFFAOYSA-N	301.331	1.852	50	20	DDGD	
O=C(NN=Cc1csc(Br)c1)C(=O)NC1CC1	914555829	ZYIFAKBFLAAHHY-UHFFFAOYSA-N	316.180	1.239	50	20	DDGD	
COC(=O)COc1ccc([C@H](C)NS(=O)(=O)CCl)cc1	831120678	IRRBXBHCVYICER-VIFPVBQESA-N	321.782	1.415	50	20	DDGD	
O=C(CCOc1cccc(F)c1)NNC(=O)[C@H]1CCCCO1	833778505	FNTNKXPCWDWERV-CYBMUJFWSA-N	310.325	1.311	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1CNC(=O)NNC(=O)Cc1ccccc1F	836620970	HWWHZYGKJQOHHB-STQMWFEESA-N	307.369	1.991	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1cc(C)[nH]c1C	914832008	IALKDJOXXWMVFX-UHFFFAOYSA-N	316.361	1.513	50	20	DDGD	
COCCN(C)NC(=O)[C@@H](c1c(F)cccc1Cl)N(C)C	837622963	FTEAEZLLIKAZHU-CYBMUJFWSA-N	317.792	1.691	50	20	DDGD	
CC(C)Oc1ccccc1C(=O)NNc1ncnc2[nH]cnc12	743471452	INAVQHKTQJCKAA-UHFFFAOYSA-N	312.333	1.897	50	20	DDGD	
CCN(CC)C(=O)CCCNC(=O)NNC(=O)CC(C)C	916577461	AJOZTGIDALSACT-UHFFFAOYSA-N	300.403	1.012	50	20	DDGD	
O=C(C[C@@H]1CCCCO1)NNc1cc(O)nc2ncccc12	913991972	LERPKHWGXKOTCN-JTQLQIEISA-N	302.334	1.738	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)C1(n2cnnn2)CCCCC1	845954196	VRBMGRJAWGNMCP-UHFFFAOYSA-N	318.356	1.923	50	20	DDGD	
C[C@H](Oc1ccccc1Cl)C(=O)NNc1nccn(C)c1=O	747942386	FHYMNRKHAXOEQH-VIFPVBQESA-N	322.752	1.344	50	20	DDGD	
C[C@H](CNC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)OC(C)(C)C	848309231	NKMONKOUXKPPSV-XXLSNGBASA-N	318.377	1.421	50	20	DDGD	
CC1(NC(=S)NNC(=O)Cc2cn3ccccc3n2)CCC1	840734550	ZRKLIMJYEWVUKY-UHFFFAOYSA-N	317.418	1.315	50	20	DDGD	
COc1cc(C=NNC(=O)C2CC2)ccc1OC(=O)C1CC1	916290773	QLDYREPBYCHRTF-UHFFFAOYSA-N	302.330	1.871	50	20	DDGD	
O=C(NNc1ccccc1Cl)[C@@H]1CCCS(=O)(=O)C1	845854769	OIUJMKGRYVUWEW-SECBINFHSA-N	302.783	1.608	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CC(N2CCOCC2)C1	911654287	JFABTQUVQIVTPS-NTEUORMPSA-N	315.348	1.276	50	20	DDGD	
CN(C)c1nccc(NNC(=O)CSCc2cccnc2)n1	740104070	BRUZHBYXWYSXEQ-UHFFFAOYSA-N	318.406	1.314	50	20	DDGD	
CCO[C@@H](CCNC(=O)NNC(=O)CC(F)(F)F)C(C)C	746420727	LIFYTWOIOCMONM-VIFPVBQESA-N	313.320	1.720	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1nccn2ccnc12)c1ccccc1	743345330	YMHREYCAULQHGT-UHFFFAOYSA-N	323.356	1.468	50	20	DDGD	
NC(=O)NCCC(=O)NNc1ccc(OCC(F)(F)F)cc1	749289131	IKICOVKLLJDIKR-UHFFFAOYSA-N	320.271	1.129	50	20	DDGD	
COc1c([N+](=O)[O-])ccc(C=NNC(=O)[C@H]2CCO[C@H]2C)c1O	842562030	UUCAGHDKZHQMBD-WPRPVWTQSA-N	323.305	1.184	50	20	DDGD	
CN(C)[C@@H](C(=O)NNC(=O)NCC1CC1)c1ccc(Cl)cc1	847390719	KSFVGNRYPWHIRI-CYBMUJFWSA-N	324.812	1.683	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)NCC[S@@](C)=O	840307724	IZRIDNNETINAAX-HXUWFJFHSA-N	319.818	1.258	50	20	DDGD	
COCCN(C)NC(=O)c1cnc(Cl)c(Br)c1	848056145	MMTSXZUZEBYEAR-UHFFFAOYSA-N	322.590	1.721	50	20	DDGD	
COC(=O)c1cccc(NC(=O)NNC(=O)CC2CCCC2)n1	844789182	OURXUHKCFIJVSR-UHFFFAOYSA-N	320.349	1.601	50	20	DDGD	
CN(C)CCNC(=S)NNC(=O)c1ccc(Cl)cc1F	747671095	GGZUXALCFSEBCL-UHFFFAOYSA-N	318.805	1.150	50	20	DDGD	
C[C@@H]1Cc2ccccc2CN1CC(=O)NNC(=O)C(C)(C)C	744404509	ACNDPFRSUUSCNU-GFCCVEGCSA-N	303.406	1.627	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)C1(F)CCCC1	842262428	UVYPWTGURMTAMQ-UHFFFAOYSA-N	301.343	1.059	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@H](C)Cc2cnc[nH]2)c1	847693694	VHRWGCKWPFOWBJ-SNVBAGLBSA-N	302.334	1.518	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1ccc(OC(F)F)cc1	744823967	LBOVZXSFMOFADH-UHFFFAOYSA-N	311.288	1.407	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)C1CCN([C@H]2CCSC2)CC1	847690566	MRHCRJMJVUURJW-AWEZNQCLSA-N	306.435	1.164	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2cccc([N+](=O)[O-])c2C)c[nH]1	748669323	DCEWAODBXKZUBJ-UHFFFAOYSA-N	302.290	1.657	50	20	DDGD	
Cc1c(NNC(=O)NCC[C@H]2CCNC2)cccc1[N+](=O)[O-]	841938162	IVLMNPFORUOEIK-LLVKDONJSA-N	307.354	1.529	50	20	DDGD	
O=C(CCCn1cccn1)NNC(=O)Cc1ccc(Cl)cc1	745413218	DYHIPGIHJAUQER-UHFFFAOYSA-N	320.780	1.707	50	20	DDGD	
COc1cccc(OCCC(=O)NNc2nccnc2OC)c1	840572294	RIXMBHPITKFIIT-UHFFFAOYSA-N	318.333	1.406	50	20	DDGD	
CN(C)CCc1ccc(C(=O)NNc2ncncc2F)cc1	848122693	QJNNCGBSEUUASB-UHFFFAOYSA-N	303.341	1.477	50	20	DDGD	
O=C(CCn1cncn1)NNc1cccc(C(F)(F)F)n1	740137815	JMRICNQKLSCWSY-UHFFFAOYSA-N	300.244	1.225	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)CCc1ccccc1F	849307413	SUTXVOFBPALIHG-UHFFFAOYSA-N	316.398	1.755	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1cnn(CC(=O)O)c1	843333452	QBEWDULMDYLOIS-VIFPVBQESA-N	318.171	1.716	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN1C(=O)C1CC1	843832986	ZLTRZKASLBYXQD-ZDUSSCGKSA-N	318.333	1.439	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)C2CCOCC2)cc1C=O	923062311	XSPVPHHFWURMBD-UHFFFAOYSA-N	304.346	1.304	50	20	DDGD	
CCN1CCC[C@@H](NC(=O)NNc2cccc(C#N)c2)C1=O	925963000	IKQPHPTYVCWQKH-CYBMUJFWSA-N	301.350	1.195	50	20	DDGD	
O=C(NCCn1cccc1)NNC(=O)c1c[nH]c2ccccc12	753050390	UADGBWDQGUIFKO-UHFFFAOYSA-N	311.345	1.614	50	20	DDGD	
C[C@@]1(CNC(=O)N=c2cc[nH]cc2F)C[C@H]1Br	856851766	ULXVDYIUQZKVLN-KOLCDFICSA-N	302.147	1.938	50	20	DDGD	
Cc1ccc([C@@H](C)[C@H](O)C(=O)NNC(=O)C2CCOCC2)cc1	923063226	WUPLYIOFACKJDN-DOMZBBRYSA-N	320.389	1.033	50	20	DDGD	
Cc1ccc([C@@H]2COCCN2C(=O)NNC(=O)C2CCCC2)o1	753337587	XYNJZQXQOOWLSY-ZDUSSCGKSA-N	321.377	1.892	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2nc3ccccc3n2C)n1	755566595	XDAMDRARWKECOB-UHFFFAOYSA-N	310.361	1.537	50	20	DDGD	
COC1(C(=O)NNC(=O)COc2ccc(F)cc2)CCCC1	754654633	ZHFNVKNYENVGQV-UHFFFAOYSA-N	310.325	1.311	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCCCC1=NNC(=O)C1	854485979	IGZBBVLBZDNEHJ-WQLSENKSSA-N	312.329	1.071	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2cc([N+](=O)[O-])ccc2O)CN1C1CC1	753961752	ZIIPRKYXQFIPAY-SECBINFHSA-N	318.333	1.643	50	20	DDGD	
C[C@H]1CC(=NNC(=O)CCCNC(=O)C(C)(C)C)CCN1C	853408968	DSGJTLGEDRLTCM-LBPRGKRZSA-N	310.442	1.515	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ncn(Cc2ccccc2)n1	756237477	JHVWVQMCXXTBOQ-UHFFFAOYSA-N	314.349	1.279	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)n1	858403466	CRNAWWMDBBSRAH-LSDHHAIUSA-N	320.349	1.050	50	20	DDGD	
COCCCNC(=O)NNC(=O)/C=C\c1cc(C)c(C)cc1C	920862591	AFYRESKVNXUNHX-SREVYHEPSA-N	319.405	1.992	50	20	DDGD	
COC1(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)CCCC1	754162555	LTYSDJWAMBUUAL-NSHDSACASA-N	324.352	1.700	50	20	DDGD	
Cc1ncc(C=NNC(=O)C(=O)NC(C)C)n1-c1ccccc1	755610864	KRZQYYUVLOOJEB-UHFFFAOYSA-N	313.361	1.155	50	20	DDGD	
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	854121501	GGHQTPXSPNQXRO-VXGBXAGGSA-N	321.333	1.559	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@@H]1CCc2c[nH]nc2C1	856878242	NGAWRKHIBUXKIT-SECBINFHSA-N	307.745	1.037	50	20	DDGD	
CN(CC1CC1)S(=O)(=O)NC[C@@]1(C)C[C@H]1Br	856754117	CHTIBDKYFQKBSC-NXEZZACHSA-N	311.245	1.336	50	20	DDGD	
CCc1ccc(C(C)=NNC(=O)N[C@H]2CCS(=O)(=O)C2)o1	752163720	CICNIBYAHHPWBE-JTQLQIEISA-N	313.379	1.052	50	20	DDGD	
CC(C)(C(=O)NNC(=S)NCC1CCC1)C1CCOCC1	855090007	NLRYMRHCYVMJGS-UHFFFAOYSA-N	313.467	1.735	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)[C@@H](C)n2cccn2)c1C	855627385	LWPPRWKCUVJOLR-LLVKDONJSA-N	302.334	1.682	50	20	DDGD	
C[C@@H](C(=O)NN=c1sc2ccccc2n1C)[C@@H]1CCC(=O)N1	858279763	RGZVSVXABJETPE-ZJUUUORDSA-N	318.402	1.086	50	20	DDGD	
CC(C)CCC1CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1	858696262	LOIXRGNEQYVHAW-CYBMUJFWSA-N	324.425	1.154	50	20	DDGD	
COc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)[C@@H]2CCCCO2)cc1	854683887	WCVAVXMXDHCVFZ-ZNMIVQPWSA-N	318.373	1.515	50	20	DDGD	
Cn1ncc(C2CC2)c1CNC(=O)NNc1ncccc1F	852577820	FAIZITXBMZSPIW-UHFFFAOYSA-N	304.329	1.658	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)OC[C@H](CBr)C1CC1	859493560	GVVOBEXZFCCFPZ-WPRPVWTQSA-N	306.200	1.865	50	20	DDGD	
O=C(NN=Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccn1	758379779	FCHAILIIINXTFP-UHFFFAOYSA-N	313.273	1.079	50	20	DDGD	
CC[C@](C)(O)C(=O)NNC(=O)c1cccc(OC(F)F)c1	931890453	TUBMMDIGXWZDHV-ZDUSSCGKSA-N	302.277	1.210	50	20	DDGD	
Cc1nn(C)cc1C1=NO[C@@H](C(=O)N(C)CC(Cl)Cl)C1	936000367	KQGORUYTBNSZDW-SNVBAGLBSA-N	319.192	1.484	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1ccc(C(C)(C)O)cc1	767379667	LECFOFRNBHGOTR-UHFFFAOYSA-N	305.378	1.680	50	20	DDGD	
CCc1oc2ccccc2c1CC(=O)NNC(=O)CN(C)C	863865323	QPMXUCXKTRBPLD-UHFFFAOYSA-N	303.362	1.247	50	20	DDGD	
C[C@H](NNC(=O)c1cc(F)cc2nccnc12)C(F)(F)F	862308713	DQIXUDBRAAUFFD-LURJTMIESA-N	302.231	1.954	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	868115790	GLHIHZAKYLJGRN-UHFFFAOYSA-N	301.293	1.933	50	20	DDGD	
COC(=O)NNC(=O)[C@H](CCC(C)C)NC(=O)OC(C)(C)C	863853829	DXKUGZKVKMQRKO-JTQLQIEISA-N	317.386	1.703	50	20	DDGD	
COc1ccc(CCC(=O)NN=C(C)c2ccnn2C)cc1	766013961	RHVWWMCDVSNHMB-UHFFFAOYSA-N	300.362	1.902	50	20	DDGD	
Cc1cc(=NNC(=O)c2c(C)nc(C(C)C)nc2O)cc[nH]1	862512613	CJMBRKJACUXMKK-UHFFFAOYSA-N	301.350	1.496	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNc1cc(F)c(F)c(F)c1	935024076	REPCUJXNUJAIKF-HTQZYQBOSA-N	302.252	1.746	50	20	DDGD	
CC(C)C(=O)NNC(=O)C(=O)Nc1cccc(-c2ncco2)c1	763816845	SJGIZYIZZZSPQU-UHFFFAOYSA-N	316.317	1.084	50	20	DDGD	
C[C@H](NNC(=O)c1ccc(C(=O)NC2CC2)cc1)C(F)(F)F	862315305	UCHFLVLRGVFOKA-QMMMGPOBSA-N	315.295	1.764	50	20	DDGD	
CCCCc1nc(C=NNC(=O)[C@@H]2CCC(=O)N2)c(Cl)[nH]1	863148045	RTENZOMHHISNNF-QMMMGPOBSA-N	311.773	1.134	50	20	DDGD	
COCCCn1cc(C(=O)NNc2ncccc2Cl)cn1	863874979	HMTHNWOHUMTAKO-UHFFFAOYSA-N	309.757	1.725	50	20	DDGD	
Cc1ccc(OC(F)F)c(C=NNC(=O)CS(C)(=O)=O)c1	863187909	UZFAPULWKOXGEI-UHFFFAOYSA-N	320.317	1.091	50	20	DDGD	
CN1CCC[C@@]2(CCN(S(=O)(=O)CC(C)(C)CCl)C2)C1	867307964	BBKYAIYVTDPGDP-CQSZACIVSA-N	322.902	1.999	50	20	DDGD	
NC(=O)[C@@H](NNC(=O)C1CC1)c1cccc(Br)c1	763376279	CXOIUWJAIDYNFK-JTQLQIEISA-N	312.167	1.006	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1nc2ccccc2[nH]1	768515728	UKJCAOKSXCOALE-UHFFFAOYSA-N	305.338	1.484	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1ccnn1CC1CCC1	868619020	FLKSPGOLCJKIAE-CYBMUJFWSA-N	306.366	1.013	50	20	DDGD	
C[C@H](NNC(=O)c1ccc(N2CCCC2=O)cc1)C(F)(F)F	862304381	NJWCOUMYLFZSAB-VIFPVBQESA-N	315.295	1.999	50	20	DDGD	
COc1cc(F)ccc1NC(=O)C(=O)NNC(=O)C1CCCC1	764071667	XDELALJHVMKWJK-UHFFFAOYSA-N	323.324	1.110	50	20	DDGD	
CNc1c(C(=O)NNC(=O)CC2CCCC2)cccc1[N+](=O)[O-]	765851620	GMLCMSXNQAQYAJ-UHFFFAOYSA-N	320.349	1.978	50	20	DDGD	
CC[C@H](C)n1nc(NC(=O)C(=O)NNC(=O)C2CCC2)cc1C	764336121	ZAXNAIFEBNDLBF-VIFPVBQESA-N	321.381	1.049	50	20	DDGD	
COC(=O)c1ccccc1-c1ccc(C=NNC(=O)CCO)o1	1116200751	ZGFNFOKRXAEBPW-UHFFFAOYSA-N	316.313	1.566	50	20	DDGD	
O=C(NNS(=O)(=O)CCC1CCCCC1)[C@H]1CCCCO1	872373054	XXILWSMBNFYCCU-CYBMUJFWSA-N	318.439	1.477	50	20	DDGD	
O=C(NN=C1CCN(c2nccs2)CC1)c1cccnc1	764646529	AIZKTDICWVHEIT-UHFFFAOYSA-N	301.375	1.924	50	20	DDGD	
CC(C)N1CC(=NNC(=O)c2ccc(C(=O)O)cc2)[C@@H](C)C1	872410751	PDQWJBZZKYVZTE-NSHDSACASA-N	303.362	1.831	50	20	DDGD	
O=C(NNc1ccc(F)cn1)c1cncc(N2CCCC2)n1	874647564	QBJLDHRTGWSZJE-UHFFFAOYSA-N	302.313	1.368	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)c1cc(Cl)no1	873792985	RHFUYDJBYYQTPL-UHFFFAOYSA-N	311.750	1.953	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H]1CC(c2ccc(C)cc2)=NO1	875562530	QCCJJDXATKGSQC-LBPRGKRZSA-N	320.349	1.400	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CSc2ncco2)c1	772247029	QWCJBXJTJWJWAE-UHFFFAOYSA-N	302.315	1.100	50	20	DDGD	
Cc1c(Cl)cccc1C=NNC(=O)[C@@H]1CCS(=O)(=O)C1	872339309	GDOMWVOKZMMVFZ-LLVKDONJSA-N	314.794	1.533	50	20	DDGD	
Cc1cnc(Br)cc1NC(=O)NNC(=O)C1CC1	776056004	LKPUEFAIBORRSI-UHFFFAOYSA-N	313.155	1.715	50	20	DDGD	
CCc1cccc(CC)c1NC(=O)NNC(=O)COCCOC	877951381	UVQTVPIHXKBWSJ-UHFFFAOYSA-N	323.393	1.627	50	20	DDGD	
COc1ccc(CNC(=O)NNc2cccc(OC)n2)cn1	779970131	UTOAHFAPDSWRJK-UHFFFAOYSA-N	303.322	1.320	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccccc1N=S(C)(C)=O	879809107	NSPLGOOJVQHKFR-UHFFFAOYSA-N	312.395	1.854	50	20	DDGD	
CCCNC(=O)NN=Cc1cc(Br)cnc1OC	872344439	GNGWMFJOWYGHLC-UHFFFAOYSA-N	315.171	1.896	50	20	DDGD	
CC1CCN(CC(=O)NNc2ccc(F)c([N+](=O)[O-])c2)CC1	771593142	WBRXKIMIWSWWJH-UHFFFAOYSA-N	310.329	1.909	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN(Cc1ccccn1)C1CC1	772285469	OMBQUXZRMAFEOJ-UHFFFAOYSA-N	304.394	1.240	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@@H](C)N2CCCC[C@H]2C)cc[nH]1	875072343	VGMJASUZLIWQHB-ZIAGYGMSSA-N	305.426	1.701	50	20	DDGD	
CCCn1cc(C=NNC(=O)c2ccc(OC)c(OC)c2)nn1	872328157	PCGLHUGDEYTLRA-UHFFFAOYSA-N	317.349	1.469	50	20	DDGD	
COCc1ccc(S(=O)(=O)NNC(=O)CC(C)C)cc1	774603570	HRXIKJAJNCFGEV-UHFFFAOYSA-N	300.380	1.189	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)CC2COC2)cc1OC	771607413	UWSVHCWRIJAICX-UHFFFAOYSA-N	322.361	1.282	50	20	DDGD	
COc1cc(C=NNC(=O)NCC(F)(F)F)ccc1[N+](=O)[O-]	770601446	IGEYBZFUCIDICS-UHFFFAOYSA-N	320.227	1.799	50	20	DDGD	
CCn1nccc1NC(=O)C(=O)NNc1c(F)cccc1F	773709073	GTJSIHFJDOASLR-UHFFFAOYSA-N	309.276	1.263	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1ccc([N+](=O)[O-])n1C	772853851	JVPJUDVFDSQKLB-UHFFFAOYSA-N	304.310	1.604	50	20	DDGD	
N#Cc1cc(C(=O)NNC(=O)NCCc2cccs2)c[nH]1	778651322	WKHMIAKMTDALAF-UHFFFAOYSA-N	303.347	1.135	50	20	DDGD	
Cc1ccc([C@@H](C)CNC(=O)NNC(=O)C2CCOCC2)cc1	883437744	ADZOEKUWTDKQGQ-ZDUSSCGKSA-N	319.405	1.856	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C1(C(=O)OC(C)(C)C)CC=CC1	887152111	WZWXCYWOKJWBOR-UHFFFAOYSA-N	320.389	1.615	50	20	DDGD	
O=S(=O)(CCCCl)Oc1cccc(-n2cncn2)c1	881909706	QLUORRCTLNXRHX-UHFFFAOYSA-N	301.755	1.605	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCc2nncn2C)cc1	770827892	ZNMOFAPPTSZCNZ-MDWZMJQESA-N	312.329	1.864	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@@H]2CCSC2)nc1C	778422782	VHDGIXLVEOUXAE-SECBINFHSA-N	310.379	1.158	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)NCCC#N)cc2C1	787352310	NEXPUPYZDQTXDH-SECBINFHSA-N	306.391	1.731	50	20	DDGD	
Cc1c(C(=O)NNC(=O)NCC2CC2)nnn1CC1CCCC1	788744144	WOOYEDVJNLDGGC-UHFFFAOYSA-N	320.397	1.131	50	20	DDGD	
Cc1cc2c(cc1C)[C@H](C(=O)NNC(=O)C1CCOCC1)CO2	883068446	VLIIMRBKRUDYDU-CQSZACIVSA-N	318.373	1.353	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)c2cccnn2)CCCCC1	883618775	RMWCLRFJTXYOEC-UHFFFAOYSA-N	305.382	1.781	50	20	DDGD	
O=C(NNc1cnccn1)Nc1ccc(OC2COC2)cc1	782095613	WBRSATGCKSJBAB-UHFFFAOYSA-N	301.306	1.403	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)CC(C)(C)OC)c1	781873239	ZBFMOHYDQVMPII-UHFFFAOYSA-N	310.350	1.280	50	20	DDGD	
C[C@H]1COCC1=NNC(=O)c1cc(Br)ccc1O	884433006	XYPQBVNHWLVJCB-ZETCQYMHSA-N	313.151	1.907	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@]2(OC)CCSC2)cc1	887664413	KIZJMSHDINXAQR-OAHLLOKOSA-N	308.403	1.532	50	20	DDGD	
CC[C@H](O)[C@@H](C)C(=O)NNC(=O)CSc1ccc(C)cc1	899954671	ISJCGUBAELITFS-YPMHNXCESA-N	310.419	1.642	50	20	DDGD	
CC(C)Cn1cccc(C(=O)NNc2nccnc2Cl)c1=O	894973817	BDFRANQBOWNTHY-UHFFFAOYSA-N	321.768	1.705	50	20	DDGD	
CO[C@@H]1[C@H](C)[C@@H](NS(=O)(=O)CBr)C1(C)C	782476869	IFYKRNHCTOFHCV-BWZBUEFSSA-N	300.218	1.318	50	20	DDGD	
CC(C)(C=NNC(=O)c1ccc[nH]1)N1C(=O)c2ccccc2C1=O	782178824	GVRSBEZDRSQFAC-UHFFFAOYSA-N	324.340	1.805	50	20	DDGD	
COc1ccc(NNC(=O)CCNC(=O)C2CCCCC2)nc1	781526718	ZSVWAZAEEAXVEG-UHFFFAOYSA-N	320.393	1.620	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc(-n2cnnc2)cc1	899995431	PRTRFCFFMZAYHR-UHFFFAOYSA-N	318.406	1.175	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=C1C(=O)OC[C@H]1C	794877117	OHUFKAGYHKOSCF-SNVBAGLBSA-N	314.345	1.264	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C[C@H]2CCCOC2)cc1	794907147	QYGYJRHIMPIKJT-GFCCVEGCSA-N	321.377	1.071	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCC2(CC#N)CC2)cc1	797563619	SBEVMDQHLGNJFN-UHFFFAOYSA-N	316.361	1.398	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNC(=O)COc1ccc(C)c(C)c1	794612479	CGILJTNUSJHFGW-INIZCTEOSA-N	303.362	1.770	50	20	DDGD	
CN(C)C(=O)NNC(=O)[C@@H](O)c1cccc(C(F)(F)F)c1	795822285	HETQKROSRSCVNX-VIFPVBQESA-N	305.256	1.041	50	20	DDGD	
COC1(C=NNC(=O)C(=O)Nc2ccc(C)cc2)CCCC1	790150324	VONCOZPPKJLUOH-UHFFFAOYSA-N	303.362	1.995	50	20	DDGD	
CC(C)[C@@H](C#N)C=NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	1319496460	KTFWSXRDLKZIHH-NSHDSACASA-N	322.390	1.993	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H]1CCCCN1Cc1cccnc1	1318396344	HSSLVUASMXGPAH-CQSZACIVSA-N	304.394	1.240	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccccc1Cl)N1CCCC1=O	1323183676	XPEYRQOSOMPSMV-LBPRGKRZSA-N	323.780	1.502	50	20	DDGD	
C[C@]1(CNC(=O)c2ccc(C(=O)O)cn2)C[C@@H]1Br	1329507830	VSTZCGXKTUGMTN-JOYOIKCWSA-N	313.151	1.683	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@H]([C@H]2CCCCO2)C1)c1cn[nH]c1	1331536900	MIHUWANUDGLDIJ-WCQYABFASA-N	321.381	1.045	50	20	DDGD	
O=C(CCO)NN=Cc1ccc2ccc(Br)cc2n1	1337118802	WHXAYUCSOOIUMP-UHFFFAOYSA-N	322.162	1.830	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1ccc(OC(F)F)c(OC)c1	1330774250	NUVUPJYGAOLUJX-UHFFFAOYSA-N	316.260	1.310	50	20	DDGD	
CN(C)CC1(CNS(=O)(=O)CBr)CCCC1	759140483	LPRHSNKQJSPLHM-UHFFFAOYSA-N	313.261	1.380	50	20	DDGD	
CCCNC(=O)[C@@H](C)NC(=O)[C@@H](Br)C(C)(C)C	1336706860	YNAGZANRZQUKNM-RKDXNWHRSA-N	307.232	1.827	50	20	DDGD	
CC(C)(C=NNC(=O)C1CCOCC1)NC(=O)OC(C)(C)C	1336992979	QDDMCZWBEMIDLI-UHFFFAOYSA-N	313.398	1.818	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2CCCC[C@@H]2CN)cc1	1261377043	GNSKTPCULDBASQ-TZMCWYRMSA-N	320.393	1.157	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CCc1nccn1C	1351655749	FEJNDWTZKHKVJW-UHFFFAOYSA-N	300.362	1.051	50	20	DDGD	
O=C(CCc1ocnc1C(=O)O)NNC(=O)CC1CCCC1	1601297101	UDYLIGHVBRIONN-UHFFFAOYSA-N	309.322	1.033	50	20	DDGD	
Cc1cc(C#N)cnc1C(=O)NNc1cccc(F)c1C(=O)O	1600076383	XPJONQCCLBWPGP-UHFFFAOYSA-N	314.276	1.856	50	20	DDGD	
C=CCOC[C@@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)C(=O)O	1609432269	LGVJPLUNVZSSPZ-ICDLMJIXSA-N	318.304	1.505	50	20	DDGD	
O=C(NCCc1ccns1)NNc1ccc(C(=O)O)c(F)c1	1601512863	FTCGKVLJYNQTKT-UHFFFAOYSA-N	324.337	1.849	50	20	DDGD	
O=C(NCc1ncccn1)NNc1ccc(F)c(C(=O)O)c1	1608476979	HPTYUIHPWIBTCQ-UHFFFAOYSA-N	305.269	1.140	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NNc1cccc(F)c1C(=O)O	1603045789	CXVUQXYTBRJSHL-UHFFFAOYSA-N	311.313	1.129	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2CCc3n[nH]cc3C2)cc1F	1608904025	DTHIDVZFLAMWLN-QMMMGPOBSA-N	318.308	1.495	50	20	DDGD	
O=C(/C=C/c1ccccc1-c1nn[nH]n1)NCC(Cl)Cl	1609518499	OPONXUHVBFKKMB-AATRIKPKSA-N	312.160	1.800	50	20	DDGD	
O=C(C[C@H]1CCC2(CCC2)O1)NNc1ccc(C(=O)O)cn1	1601250621	RHYXRAKULWIZIF-LLVKDONJSA-N	305.334	1.715	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)[C@H]1CC[C@H](C(=O)O)CC1	1601329808	TVDQVDWRLVFFAT-HAQNSBGRSA-N	319.361	1.137	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)c1cnccc1-c1nn[nH]n1	1606861179	ODNBHNBRMHIJPI-UHFFFAOYSA-N	317.259	1.297	50	20	DDGD	
O=C(NN=C1CCCc2scnc21)[C@@H]1CN2CCC[C@H]2CO1	1549684642	GLIGLDDKLBEUOJ-JQWIXIFHSA-N	320.418	1.163	50	20	DDGD	
CC(Cc1ccccc1C)=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549319343	UCQCYOJHRHKQPG-IRXDYDNUSA-N	315.417	1.893	50	20	DDGD	
COc1ccc(C)cc1C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549318397	PMFFDAYEXQWFKD-HOCLYGCPSA-N	317.389	1.317	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@]2(C)CCNC2)c(C)c1	1574156623	MPGXRIMAKRXMOV-HNNXBMFYSA-N	306.435	1.621	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)C2([C@@]3(O)CCCNC3)CCC2)c1	1579706504	QCWNRNYARSPPNF-QGZVFWFLSA-N	321.396	1.862	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)C1(F)CCNCC1	1580739874	RFMYUHMLLCBZCT-UHFFFAOYSA-N	303.284	1.823	50	20	DDGD	
C=CC[C@H](NNC(=O)c1ccc(OC(C)C)c(OC)c1)C(=O)O	1588749049	DGIBORQVZAAVDE-LBPRGKRZSA-N	322.361	1.746	50	20	DDGD	
CCC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ncc[nH]1	1847865220	LQSDTOKXFICUOU-SRVKXCTJSA-N	324.812	1.633	50	20	DDGD	
C/C(Cl)=C/C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	1589905289	WKSAAAYKRAVJBD-DJWKRKHSSA-N	314.136	1.501	50	20	DDGD	
CC(=NNC(=O)c1ncccc1C)c1ccccc1-c1nn[nH]n1	1588776536	QTDRIPYGQIBXDN-UHFFFAOYSA-N	321.344	1.724	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc2c(C(=O)O)c[nH]c2c1	1596463150	QSASQSWIFHKOGD-UHFFFAOYSA-N	319.321	1.564	50	20	DDGD	
Cc1[nH]c(C(=O)NNC(=O)NCc2ccco2)c(C)c1C(=O)O	1599953068	GQVRFHXVVTYQJR-UHFFFAOYSA-N	320.305	1.067	50	20	DDGD	
CC(=O)C(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](F)Cl	1847720228	HTXWZNNYGDFWHM-DCAQKATOSA-N	318.776	1.338	50	20	DDGD	
Cc1cccnc1NNC(=O)NCc1cccc(C(=O)O)c1	1594421397	VXGBGHLUZVHWGS-UHFFFAOYSA-N	300.318	1.915	50	20	DDGD	
O=C(CCCc1cccs1)NNC(=O)C1(C(=O)O)CCC1	1594685019	DYXOQYCXVVEVQU-UHFFFAOYSA-N	310.375	1.473	50	20	DDGD	
Cc1ccnc(C)c1NC(=O)NNc1ncccc1C(=O)O	1594423102	YSZDHHJXBAZZDH-UHFFFAOYSA-N	301.306	1.940	50	20	DDGD	
CO[C@H](C)CCC(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1599038391	OYZJEISVMCYXAF-SECBINFHSA-N	315.395	1.395	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1C[C@H]1c1ccco1	1593164612	CCIBMCJFANRJKY-VXGBXAGGSA-N	310.317	1.707	50	20	DDGD	
CCc1cc(C(=O)O)c(C=NNC(=O)[C@@H]2CCO[C@H]2C)s1	1776082210	CWOAPBMSHIFFSS-WCBMZHEXSA-N	310.375	1.884	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)O)c(O)c1)c1ccc(O)c(O)c1	1776058631	YJXVEODCSRGXFL-UHFFFAOYSA-N	316.269	1.266	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@H]1COc2ccccc2C1	15758778	YQFQXCYUWRAERH-LLVKDONJSA-N	307.419	1.532	50	20	DDGD	
Cc1ccccc1C(=O)NN/C=C1/C(=O)NC(=O)c2ccccc21	16720991	XYOFSGVYEPQKLX-XNTDXEJSSA-N	321.336	1.541	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(C)nc2c1cnn2[C@H](C)CC	161263915	ZMFKHNZKAJVKKG-SNVBAGLBSA-N	318.381	1.675	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NOCCC(F)(F)F	158566455	GUYPVBFJMOFHAI-UHFFFAOYSA-N	323.246	1.583	50	20	DDGD	
COC(=O)NNC(=O)c1cn(-c2ccc(Cl)cc2)nc1C	158762373	JTQJQZZJUYDCQG-UHFFFAOYSA-N	308.725	1.835	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)CCc2ccccc2F)[nH]n1	153306573	PEYNTUMVDTXGRI-JTQLQIEISA-N	318.352	1.887	50	20	DDGD	
Cc1ncc(CNC(=O)NNC(=O)CCc2ccccc2)s1	155720789	SPJAYWXVJKKOKV-UHFFFAOYSA-N	318.402	1.915	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2scnc2C)n1	155756929	RHXLHKCFMIQOEE-UHFFFAOYSA-N	306.395	1.845	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1cc2cc(F)ccc2[nH]1	156256629	KGCPKZXAVQHEDA-UHFFFAOYSA-N	311.280	1.730	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc([N+](=O)[O-])cc2F)nc1	159363724	HTGFRCCQVMPJLN-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
Cc1cccc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c1F	159755111	HKJAIWPARVHSMS-LLVKDONJSA-N	314.382	1.240	50	20	DDGD	
O=C(NCCN1C(=O)CSC1=O)c1cccc(CCl)c1	35412151	IENZNKUTGFSATO-UHFFFAOYSA-N	312.778	1.851	50	20	DDGD	
CN(C1CC(NC(=O)OC(C)(C)C)C1)S(=O)(=O)CCl	832104586	KDGSKHDLVXYVTC-UHFFFAOYSA-N	312.819	1.500	50	20	DDGD	
COCC(=O)NNC(=S)Nc1cc(Cl)ccc1OC	7061621	NDRKJGAPGGUZGK-UHFFFAOYSA-N	303.771	1.313	50	20	DDGD	
C[C@H](SCc1ccccc1)C(=O)NNC(=O)Cc1cc[nH]n1	106417295	HMYQTWDXACDKCC-NSHDSACASA-N	318.402	1.422	50	20	DDGD	
CN(C)CCNS(=O)(=O)c1ccc(CCCCl)cc1	20190994	KELXKQOPXVCLTA-UHFFFAOYSA-N	304.843	1.698	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCCc1cn2ccccc2n1	103177996	UJYCBVHSMXMJCA-UHFFFAOYSA-N	317.393	1.643	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1	66815585	RMCVRUBWPIXOKP-MOENNCHZSA-N	311.382	1.191	50	20	DDGD	
CSC(C)(C)CNC(=O)NNC(=O)Cc1ccccc1F	174357057	CYQZZYKJLCOGPU-UHFFFAOYSA-N	313.398	1.840	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)Cc2ccoc2)cc1OC	119086315	FXNWDVMNOXWZRU-UHFFFAOYSA-N	318.329	1.691	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1c(F)c(F)cc(F)c1F	177479658	UBUOTHMHBFAXDV-UHFFFAOYSA-N	315.226	1.656	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)/C=C/c1cncc(F)c1	67432419	SJOIWPAQVFMASO-VOTSOKGWSA-N	315.304	1.704	50	20	DDGD	
Cc1nc2ccccc2c(C)c1CC(=O)NNC(=O)CN(C)C	113424465	HBIFLARUWXCOFB-UHFFFAOYSA-N	314.389	1.103	50	20	DDGD	
Cc1noc(CCC(=O)NNc2cc(F)c(F)cc2F)n1	115718514	IACFOWMKFNGPLS-UHFFFAOYSA-N	300.240	1.871	50	20	DDGD	
CCc1noc2ncc(C(=O)NNC(=O)CC(C)(C)C)cc12	171482374	QMKSXKRMNXIYHU-UHFFFAOYSA-N	304.350	1.982	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1cc([N+](=O)[O-])ccc1CC	67116680	VCVQBLVLIXTNLT-UHFFFAOYSA-N	317.323	1.097	50	20	DDGD	
O=C(NC[C@@H](O)C1CCCCC1)NNC(=O)c1ccccc1	69260901	COZMFSSCGZHUQN-CQSZACIVSA-N	305.378	1.572	50	20	DDGD	
NC(=O)[C@@H](NNC(=O)c1cccc(Cl)c1)c1ccc(F)cc1	171119417	GCGFNZCATUVKBC-ZDUSSCGKSA-N	321.739	1.940	50	20	DDGD	
C=CCCOCCNC(=O)NNC(=O)CCc1ccccc1	127134562	KLLHCXPLVZEESY-UHFFFAOYSA-N	305.378	1.542	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccnnc1	128912909	KTKWDJSUDQPSPL-UHFFFAOYSA-N	314.389	1.844	50	20	DDGD	
CCC[C@H](C)CC(=O)NNC(=O)Cc1cn2ccccc2n1	173886045	GPNWZIIJITZZIH-LBPRGKRZSA-N	302.378	1.851	50	20	DDGD	
COCCC(C)(C)C(=O)NNC(=O)c1c(C)nc2ccccn12	186389742	NWROBZNJAJNJPY-UHFFFAOYSA-N	318.377	1.466	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2ccccc2)on1)Nc1cccnn1	186550473	SKHCOQBGNHRTSC-UHFFFAOYSA-N	324.300	1.598	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1cccc(F)c1F	126098150	DWFNUCPMRUOYQG-UHFFFAOYSA-N	313.304	1.487	50	20	DDGD	
CC(C)[C@H]1C(=O)NCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	188393584	LRCTUBPCYAWMRT-CTXBLAANSA-N	313.357	1.282	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)Cc1cc[nH]n1)c1ccccc1F	186153635	QZPWKLIOQXZCST-SNVBAGLBSA-N	304.325	1.433	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNC(=O)CC2CCCC2)cc1	125916526	OWTSIQZYWMLAHM-UHFFFAOYSA-N	314.345	1.224	50	20	DDGD	
COCc1cc(C(=O)NNC(=O)c2c[nH]c3ccccc23)no1	79314871	JFFQQTZDAKRWAS-UHFFFAOYSA-N	314.301	1.377	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccc(F)cc1[N+](=O)[O-]	128495985	ZAKGBKMLLNVKPC-UHFFFAOYSA-N	318.264	1.133	50	20	DDGD	
Nc1ccc(C(=O)NNc2cccnc2Cl)cc1[N+](=O)[O-]	128566570	VRBXTGCUFSRQGO-UHFFFAOYSA-N	307.697	1.982	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CSc1nccn1C(C)(C)C	124289391	LUZXHZUTIBDWIT-UHFFFAOYSA-N	312.439	1.924	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2cccc(Cl)c2)n(C)n1	120163943	VXWOWHLXYUZPIM-UHFFFAOYSA-N	307.741	1.464	50	20	DDGD	
CN(C)C(=O)CNC(=O)NNc1ccccc1OC(F)(F)F	189991232	IBYFWQKNSJUAGQ-UHFFFAOYSA-N	320.271	1.300	50	20	DDGD	
O=C(CC1CCCC1)NCC(=O)NNc1ccc([N+](=O)[O-])cc1	133908214	LGXIYCXKVNSLMN-UHFFFAOYSA-N	320.349	1.734	50	20	DDGD	
CC(C)(C)CC(=O)NCC(=O)NNc1ncnc2ccsc12	132356737	SCZBEHJQSXEBRT-UHFFFAOYSA-N	321.406	1.687	50	20	DDGD	
CC(C)C[C@H](CNS(=O)(=O)CBr)CC(=O)O	381199719	FDYIOTWSCUECCD-QMMMGPOBSA-N	316.217	1.395	50	20	DDGD	
COc1nccnc1NNC(=O)c1cccc([N+](=O)[O-])c1C	131952982	CEYNDSFLHOXSCQ-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
CC(C)CCC[C@@H](C)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1	42930094	BXKYIJRTJLZWJE-TZMCWYRMSA-N	319.471	1.582	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@H](C)N2CCSCC2)cc1	132863511	XCJQYIHWZQFLIJ-LBPRGKRZSA-N	321.446	1.447	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCN(c2nccs2)CC1	88925692	BJDHVZZTOYVBKI-UHFFFAOYSA-N	323.871	1.614	50	20	DDGD	
O=C(CCOCc1ccccc1)NNC(=O)Cc1ccncc1	81024765	DRWIMROIHRWZDN-UHFFFAOYSA-N	313.357	1.378	50	20	DDGD	
Cc1cc(F)ccc1-n1cc(O)c(C(=O)NNC(=O)C2CC2)n1	81556788	RQNUIIFHNJFMRZ-UHFFFAOYSA-N	318.308	1.196	50	20	DDGD	
CCOC(=O)CN(CC)C(=O)/C(C#N)=C\c1ccc(O)cc1	194604400	SBLXIWKAPGNVLU-LCYFTJDESA-N	302.330	1.711	50	20	DDGD	
COC[C@H](NC(=O)NNc1cccnn1)c1ccc(F)c(F)c1	91106544	TZZNQQSUDXENJW-LBPRGKRZSA-N	323.303	1.769	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1c(F)cccc1F	91822078	WTVULVDLIIAWEC-UHFFFAOYSA-N	305.375	1.437	50	20	DDGD	
O=C(NNc1nccc(N2CCOCC2)n1)[C@@H]1C[C@H]2CC[C@H]1C2	245968492	FBVXHAUONKAURX-RWMBFGLXSA-N	317.393	1.193	50	20	DDGD	
CNC(=O)C1(C(=O)NNc2nc(C(F)(F)F)cs2)CC1	268044051	VNHQOSMUKDAMIP-UHFFFAOYSA-N	308.285	1.131	50	20	DDGD	
CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NNc1cnccn1	265158061	LWGLURRKCMXDNK-JTQLQIEISA-N	323.422	1.257	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCSC(C)(C)C)n1	266986651	UUYMFIWHRCVMNT-UHFFFAOYSA-N	313.427	1.951	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1cccnc1OCCOC	269485122	QCTBJBURCFAKTI-ACCUITESSA-N	305.334	1.167	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NN=Cc1ccc(O)c(O)c1	263631146	HWANJEFCKRJNTQ-UHFFFAOYSA-N	310.313	1.598	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NC[C@@H](C)C[C@H](C)O)cc(C#N)n1C	265858047	FOXDPZDWEVFTCD-SWQXEMSJSA-N	314.389	1.635	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)N[C@H](C)c1ccc(C)cc1	267164551	JXZRGCNHSBONMY-OLZOCXBDSA-N	323.393	1.438	50	20	DDGD	
CC(C)Oc1ncccc1NC(=O)NNC(=O)c1cnn(C)c1	273477438	JXNNHMAACABTRW-UHFFFAOYSA-N	318.337	1.069	50	20	DDGD	
CN(C)C(=O)COc1ccccc1C(=O)N1CC=C(C#N)CC1	272672520	LDWZFTWJXQMNLL-UHFFFAOYSA-N	313.357	1.449	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H]1CCCCN1C(=O)C(C)C	276667327	COEHEPSTWKHGAB-CYBMUJFWSA-N	304.394	1.870	50	20	DDGD	
NC(=O)CCCC(=O)NNc1ccc(F)cc1Br	279952874	SJMXHCVKTNFPFM-UHFFFAOYSA-N	318.146	1.687	50	20	DDGD	
O=C(CCn1cncn1)NNc1ccc(C(F)(F)F)cn1	274714534	BOLAMBUTEULRHX-UHFFFAOYSA-N	300.244	1.225	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H](C2CC2)C(F)(F)F)n1	288415764	NZOSAZMYWHLSTE-SECBINFHSA-N	319.287	1.761	50	20	DDGD	
Cc1cccc(C(=O)NN[C@@H](C(=O)NC2CC2)c2ccccc2)n1	281005533	OJSXEUBNJSPSNT-MRXNPFEDSA-N	324.384	1.644	50	20	DDGD	
CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NNc1ccccc1	289707483	IXTQYLSBHCXDHX-LBPRGKRZSA-N	309.366	1.669	50	20	DDGD	
N#Cc1ccc(C(=O)NCC(=O)NCC(Cl)Cl)cc1	288185823	JLILJBRYLXVZGV-UHFFFAOYSA-N	300.145	1.208	50	20	DDGD	
CCc1onc(C)c1NC(=O)C(=O)NCCSSC	285353918	UEBYUBLWYUONFV-UHFFFAOYSA-N	303.409	1.611	50	20	DDGD	
COCCc1ccnc(NC(=O)NNc2cccc(OC)n2)c1	287327171	MGMMNUPFQKNKJG-UHFFFAOYSA-N	317.349	1.823	50	20	DDGD	
COC(=O)N(C)NC(=O)C1(c2ccccc2C)CCOCC1	286333734	LRPKIQIPJXLCOX-UHFFFAOYSA-N	306.362	1.773	50	20	DDGD	
COCCN(C)NC(=O)[C@]12CCC(=O)N1c1ccccc1S2	288588208	SDENEQNYQTUOBE-OAHLLOKOSA-N	321.402	1.225	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)CCc2ccc(Cl)cc2)O1	294247766	NWNFQFGMGPYHQM-GWCFXTLKSA-N	310.781	1.988	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@H](C)CC(=O)OC)cc1C	291279821	RCUYJXQUFXIAEW-LLVKDONJSA-N	322.361	1.814	50	20	DDGD	
O=C(NCCCOC1CCCCC1)NNc1ncncc1F	292358621	FHRXNJKBLKYZBN-UHFFFAOYSA-N	311.361	1.981	50	20	DDGD	
C[C@@H](Oc1ccc(C=O)cc1)C(=O)NNc1ncccc1F	804215922	LGNYBJMEESJHFK-SNVBAGLBSA-N	303.293	1.944	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2cc(C)c(C)o2)cc1	801105339	DJGLJFACLQMHEW-UHFFFAOYSA-N	315.329	1.605	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)[nH]1	802120029	IDRPPMNYLSXJEP-UHFFFAOYSA-N	302.338	1.251	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCc1noc2c1CCCC2	807618475	NPRYNZTXBPFJPS-UHFFFAOYSA-N	320.271	1.336	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)C[C@H](C)OC)c1	802111987	VXCQYYFTYPBYAL-QMMMGPOBSA-N	315.757	1.926	50	20	DDGD	
CSSCCNC(=O)[C@](C)(O)Cn1ccc(C)cc1=O	803474188	FBNGLQLOLMIHOP-CYBMUJFWSA-N	316.448	1.035	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CC[C@@]2(CCN(C)C2)C1	292440674	MOJRYLPLYFLISB-QGZVFWFLSA-N	316.405	1.377	50	20	DDGD	
CCOC(=O)CC(C)(C)CC(=O)NNc1ccc(OC)cn1	807321615	YMTYPMPYIXVUDH-UHFFFAOYSA-N	309.366	1.903	50	20	DDGD	
CCOc1ccc(NNC(=O)CCn2cnccc2=O)cc1	294432521	SKKBAYZBNRQPSP-UHFFFAOYSA-N	302.334	1.175	50	20	DDGD	
COc1ccc([C@@H](C)C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	294167840	IQAROPAYIRMZEA-WDMOLILDSA-N	306.362	1.514	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)CC2OCCCO2)cc1C	291289771	RSAHVODCXICJBO-UHFFFAOYSA-N	322.361	1.768	50	20	DDGD	
N#Cc1ccncc1C(=O)NNC(=O)Cc1ccc(Cl)cc1	805154997	VHDJQAJHCFXRNM-UHFFFAOYSA-N	314.732	1.610	50	20	DDGD	
Cc1cc(C)cc(OCCC(=O)NNC(=O)[C@@H]2CCCCO2)c1	295720911	KZQLGEBCEQOYGF-HNNXBMFYSA-N	320.389	1.789	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2[nH]nnc2C)c1C	800688604	APMUKSHWNZBRLA-UHFFFAOYSA-N	304.379	1.361	50	20	DDGD	
O=C(NNc1ncccc1C(F)(F)F)c1c[nH]nc1[N+](=O)[O-]	801623446	LXCGEJCQETWJMP-UHFFFAOYSA-N	316.199	1.489	50	20	DDGD	
COC(=O)c1cc(/C=C(/C#N)C(=O)C2CCOCC2)cn1C	811690645	FXHJCINSXSABHX-QPEQYQDCSA-N	302.330	1.714	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NC1=NC[C@H](C)S1	819774841	UEEVPYQMJWVWEF-ZETCQYMHSA-N	300.815	1.960	50	20	DDGD	
COCCN(C)NC(=O)C[C@@H]1c2ccccc2CCN1C(C)=O	816561880	PDIFQXWIWLATQO-MRXNPFEDSA-N	319.405	1.132	50	20	DDGD	
O=C(COc1cc(Cl)ccc1Cl)NNc1nc[nH]n1	816631974	NUIJTMAQFORNQY-UHFFFAOYSA-N	302.121	1.634	50	20	DDGD	
Cc1nnc(CC(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])o1	813413368	MNQSUEHZBGMMEB-UHFFFAOYSA-N	311.685	1.625	50	20	DDGD	
COc1cccc(O)c1C=NNC(=O)Cn1cnc2ccccc21	812488658	DRVZUCRDSMKQPH-UHFFFAOYSA-N	324.340	1.901	50	20	DDGD	
CC(C)(O)C(=O)NN=C1CCc2cc(Br)ccc21	814909753	NIGNWUBLWDPFDP-UHFFFAOYSA-N	311.179	1.987	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)Cn1ccccc1=O	816485622	UBLUJFINOJDPGA-UHFFFAOYSA-N	321.768	1.558	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(Br)oc1C	819173802	OTKBNPPDICIWSQ-UHFFFAOYSA-N	304.144	1.705	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NN=C2COCCOC2)c1C	814749043	UUPODKHPEKAJME-ZDUSSCGKSA-N	306.362	1.590	50	20	DDGD	
CC(C[C@@H]1CCC(=O)N1)=NNC(=O)[C@@H](C)Oc1ccccc1F	811633629	QTDCZLXUCPRWMW-NEPJUHHUSA-N	321.352	1.754	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@@H]1CCCCC(F)(F)C1	813763632	SEQKYZIOTIZRFB-SNVBAGLBSA-N	307.341	1.569	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(C)[C@H](C)C(=O)O)cc1	818240127	WSYQTYKOODEWTQ-VSXLWIIGSA-N	302.330	1.924	50	20	DDGD	
Cc1c(C(=O)NNC(=O)Cc2ccncc2)ccn1C(C)C	815746533	LOYRUJJKFFJEMU-UHFFFAOYSA-N	300.362	1.776	50	20	DDGD	
CC(=NNC(=O)Cc1cccnc1)c1cccc(-n2cnnn2)c1	728784969	YRHYLXAJQYYYTI-UHFFFAOYSA-N	321.344	1.140	50	20	DDGD	
CCN(CCO)NC(=O)[C@]1(C(=O)OC(C)(C)C)CC=CCC1	823893748	VGPIYKZVRPLIER-INIZCTEOSA-N	312.410	1.400	50	20	DDGD	
COc1ccc(OC)c(C(=O)NNC(=O)Cc2cccnc2)c1	728852473	BSXZJBOBWDCXRM-UHFFFAOYSA-N	315.329	1.103	50	20	DDGD	
C[C@@H]1CN(C(=O)/C(C#N)=C/c2cnn(C)c2)C[C@H](C2CC2)O1	491009953	LBPOWFBYSLUYQJ-NBWBIUGRSA-N	300.362	1.353	50	20	DDGD	
COC(=O)N1CCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)CC1	492884440	UOPDWMYMRBBSHT-LHHJGKSTSA-N	316.317	1.843	50	20	DDGD	
CCn1ccnc1CNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	491102765	IVHUBMPHTGDANF-AUWJEWJLSA-N	322.372	1.645	50	20	DDGD	
C[C@@]1(C(=O)Nc2cc(CO)cc(CO)c2)C[C@H]1Br	828814438	RCPXSZRWWDZQGK-DGCLKSJQSA-N	314.179	1.783	50	20	DDGD	
C=CCN(Cc1cccs1)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	827315699	UROQCVDITFBXKT-AAEUAGOBSA-N	323.418	1.902	50	20	DDGD	
Cc1cccc2c1CCC2=NNC(=O)[C@H](C)CN1CCOCC1	729143793	RROBPJUDKVZBEM-CQSZACIVSA-N	315.417	1.730	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CNC(=O)NC1CCCCC1	490733836	KZHMDIMRYRJWEF-UHFFFAOYSA-N	314.386	1.174	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)C1	490978753	WRLFFRFIPATQBS-VIDLCGOZSA-N	312.373	1.796	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)COc2cccc(C)c2)cn1	728855707	TYIKEAZUYJNEHU-UHFFFAOYSA-N	309.325	1.211	50	20	DDGD	
C[C@H]1CN(CCNC(=O)/C(C#N)=C/c2ccc(F)cc2)CCO1	490846677	VVBBRTZUGQORSK-LERPTODRSA-N	317.364	1.570	50	20	DDGD	
CCC(=O)NNS(=O)(=O)c1ccc(NC(=O)C(C)C)cc1	829622553	RLSHLTLAVCQOBZ-UHFFFAOYSA-N	313.379	1.001	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC[C@H](C2CCCC2)C1	827261041	ZOUXVKUZYWSHOA-FPMFFAJLSA-N	309.410	1.664	50	20	DDGD	
N#CCCN(CC1CCCC1)C(=O)c1ccc(B(O)O)c(F)c1	584943407	SGVQYIJUYWCKCH-UHFFFAOYSA-N	318.157	1.052	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNc1nccnc1C1CCC1	495837189	QTUGUKBCQISQNM-UHFFFAOYSA-N	321.381	1.712	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)/C=C\C2CCCC2)cc1	493294919	XBKDJDKDVCCVIY-YFHOEESVSA-N	313.357	1.831	50	20	DDGD	
CC(C)NC(=O)NNC(=S)Nc1ccc2c(c1)OCCCO2	727278931	JQPQQKRQZBSCIX-UHFFFAOYSA-N	324.406	1.757	50	20	DDGD	
Cn1cc(C=NNC(=O)Cn2cnc3ccccc32)c(C2CC2)n1	901137841	BZFBHDILNLKEEI-UHFFFAOYSA-N	322.372	1.798	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCCCC2)s1)c1ncon1	901286449	RPRFQVNPBYMDSA-UHFFFAOYSA-N	305.363	1.885	50	20	DDGD	
C[C@@H]1CCC[C@]1(C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C	496994255	FYJWERYYQOXPFF-BMIGLBTASA-N	313.398	1.485	50	20	DDGD	
CS/C=C\C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	826226752	FUHKYGUDRQLBCG-IHWYPQMZSA-N	311.758	1.235	50	20	DDGD	
CCCN(C)CC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	730103880	IZFGYNMLVZSLGG-NSHDSACASA-N	311.357	1.082	50	20	DDGD	
CCC[C@@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)CC1	584938279	YARKMZMLNUAAAR-GFCCVEGCSA-N	307.174	1.548	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc2c(c1)CCNC2=O	824317671	ZTKYEFRRUHJMMK-UHFFFAOYSA-N	304.350	1.171	50	20	DDGD	
CCOC(=O)[C@@H](CC1CC1)NC(=O)/C(C#N)=C\c1cnn(C)c1	826817894	HMBKIAXPYTYFQX-CNTYAEFGSA-N	316.361	1.175	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCCOCC2CCCC2)cn1	491177342	VXQXMUDYPAMJMV-OVCLIPMQSA-N	302.378	1.650	50	20	DDGD	
CC(=O)NCCCCCC(=O)NNc1cccc(C(=O)O)c1	833397342	NZPRIORNIKQPGG-UHFFFAOYSA-N	307.350	1.524	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)CC(C)C)nn1-c1ccccc1	731603488	TYBDZDAGCNLVJP-UHFFFAOYSA-N	301.350	1.383	50	20	DDGD	
CCOC(=O)NN=C[C@H](CCOC)NC(=O)OC(C)(C)C	496795782	BUMXUDHGJLAZRN-JTQLQIEISA-N	303.359	1.648	50	20	DDGD	
Cn1nc(C(=O)NNc2nccnc2C2CCC2)cc1Cl	832021304	XOLHWOOBISKLOJ-UHFFFAOYSA-N	306.757	1.888	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)NC(C)C)cc1-c1nn[nH]n1	737075468	KADQJULTWWQRMJ-IZZDOVSWSA-N	312.333	1.307	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)OCCCCCn2cccn2)cn1	837970659	FTIUNSADUQVATR-XNTDXEJSSA-N	313.361	1.937	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)[C@H]1CCNC1=O	830814025	VAFQDHWUKSWXHH-VIFPVBQESA-N	312.167	1.337	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)CC(F)(F)F)Oc1ccccc1	733849821	NWGHWSJEZKYSGX-SECBINFHSA-N	319.283	1.737	50	20	DDGD	
OB(O)c1ccc(CNCC2(c3ccc(Cl)cc3)CC2)o1	585020384	VDICQPCRXFWQDU-UHFFFAOYSA-N	305.570	1.434	50	20	DDGD	
COC(=O)NCCC(=O)NNC(=S)Nc1cc(C)ccc1C	730841503	CCTRZXGLXALSBB-UHFFFAOYSA-N	324.406	1.367	50	20	DDGD	
C=CCONC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	838701840	GTRJFJAJIWJZNE-LBPRGKRZSA-N	307.350	1.519	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](C)c2cnn(C(C)C)c2)nn1	732826993	BHYSMSQVMFOARN-LLVKDONJSA-N	303.370	1.950	50	20	DDGD	
CCNC(=O)NN=Cc1ccc(OC(F)(F)C(=O)O)cc1	730728010	FSUYYRKWRJFXLY-UHFFFAOYSA-N	301.249	1.396	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc2ncsc2c1	833260790	HWVAOKFSIAQYCY-NSHDSACASA-N	305.359	1.626	50	20	DDGD	
COc1ccc(Cn2cc(C(=O)NNC(=O)C(C)C)cn2)cc1	731597996	ZYDUZTQXPAOASY-UHFFFAOYSA-N	316.361	1.357	50	20	DDGD	
COCCN1CC[C@@H](NC(=O)NNc2c(F)cccc2F)C1	739037045	ZQIKRTPEEAQLNG-SNVBAGLBSA-N	314.336	1.312	50	20	DDGD	
COc1ccccc1OCCNC(=O)NNc1cccnn1	736370616	NHIQVJFMFLSAOS-UHFFFAOYSA-N	303.322	1.190	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)Cc2cnn(C)c2)c(O)c1	839550306	IKTCMVFYIYNUSU-NSHDSACASA-N	316.361	1.074	50	20	DDGD	
O=C(COc1ccc2c(c1)CCCC2)N1CC[C@@H](B(O)O)C1	585064338	FGIIXLLZHKVZBE-CQSZACIVSA-N	303.167	1.020	50	20	DDGD	
COC(=O)c1ccc(C(C)=NNC(=O)[C@H]2CCCCO2)cc1	834986247	OSSATPAGIKWMMF-CQSZACIVSA-N	304.346	1.883	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccccc2C)n2nc(C)cc2n1	916745762	MNMRSMMFWKXREJ-UHFFFAOYSA-N	323.356	1.729	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)N[C@H]1CCS(=O)(=O)C1	913834180	VRXAREHMJAVDDW-JTQLQIEISA-N	317.798	1.462	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1ccccc1C(F)(F)F	916359225	PPHLPTNXUBRYJJ-UHFFFAOYSA-N	313.279	1.778	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2cc(Cl)ccn2)[C@H]2CCCC[C@H]2N1	831795087	XALVZIJLHRPYBX-GRYCIOLGSA-N	322.796	1.873	50	20	DDGD	
CCOC(=O)[C@H](CC(=O)NNc1cc(Cl)ccn1)C(C)=O	831794052	DGJKZOFUXOADEN-SNVBAGLBSA-N	313.741	1.337	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)C[C@H]1C[C@H]2CC[C@H]1O2	836222301	BOMQYMJQMLAHKJ-MRVWCRGKSA-N	322.792	1.988	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C/C=C\c1ccccc1[N+](=O)[O-]	916358949	AKGWACJEKIJWOG-ZCTXJBCCSA-N	316.317	1.332	50	20	DDGD	
CCCCN1CCCC[C@@H]1CNC(=O)NNc1ccncn1	836291040	SYSCNWBVJGXHRT-CYBMUJFWSA-N	306.414	1.757	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCc2ccccc2O)cc1	748460450	FVMXRTWSINKGFL-UHFFFAOYSA-N	310.313	1.408	50	20	DDGD	
C=CCOc1ccc(/C=C\C(=O)NN(C)C[C@@H](C)O)cc1OC	910176480	CBXUKLWMNHXQKR-FNOHHLHBSA-N	320.389	1.617	50	20	DDGD	
CCS(=O)(=O)NCC(=O)NNc1ccc(C)cc1Cl	836935760	AUGBWENAJSLFDM-UHFFFAOYSA-N	305.787	1.031	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNc1nc(-c2ccncc2)no1	839625220	OJEVTJBUKAPGFF-SNVBAGLBSA-N	319.321	1.164	50	20	DDGD	
O=C(O)CSCC(=O)NNc1ccccc1C(F)(F)F	740485477	RBXLWJPKVSPAIL-UHFFFAOYSA-N	308.281	1.966	50	20	DDGD	
CC(=NNC(=O)CC(F)(F)F)c1ccc(S(C)(=O)=O)cc1	917550650	JKDSRCRCTXTCSL-UHFFFAOYSA-N	322.308	1.883	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1C[C@H]1CC(C)(C)C	845384368	IWWPMTGKYDXMMU-GRYCIOLGSA-N	315.414	1.193	50	20	DDGD	
CNCCCNC(=O)NNc1cccc(Br)n1	841915400	PBCURSQSZPMGAJ-UHFFFAOYSA-N	302.176	1.080	50	20	DDGD	
C[C@H]1c2ccccc2CCN1C(=O)NNC(=O)c1ncccn1	841592105	KMXFGVZUFVHUKH-NSHDSACASA-N	311.345	1.450	50	20	DDGD	
O=C(NNc1cccc(C(F)(F)F)n1)[C@@H]1CCCS1(=O)=O	848371130	HESYZBQNWMIJHT-ZETCQYMHSA-N	323.296	1.121	50	20	DDGD	
COC(=O)C12CC(C(=O)NNc3nc4ccccc4n3C)(C1)C2	848381369	KITZSLKKYSXAAS-UHFFFAOYSA-N	314.345	1.360	50	20	DDGD	
CC(C)CCC(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1	744548257	JSWSOXYQJFDQMW-UHFFFAOYSA-N	317.345	1.299	50	20	DDGD	
CC1(C)C[C@@H](C(=O)NNC(=O)NC2CC2)c2ccccc2O1	840288461	JNTRFXKHHNBOMY-GFCCVEGCSA-N	303.362	1.824	50	20	DDGD	
COc1ccc(N(C)[C@H](C)C(=O)NNC(=O)CC(C)C)cc1	844352704	DDPCQEYBBRAMKW-GFCCVEGCSA-N	307.394	1.713	50	20	DDGD	
C[C@@H](CCC(=O)NNC(=O)CN1CCCC1=O)c1ccccc1	913731590	NVPNQZALESIMPH-ZDUSSCGKSA-N	317.389	1.340	50	20	DDGD	
C[C@H]1CCCc2ncc(C(=O)NNC(=O)[C@@H]3CCCCO3)n21	844551756	IHHANHODYASXPF-JQWIXIFHSA-N	306.366	1.111	50	20	DDGD	
COc1ccc(C(=O)NN=C[C@H](OC)[C@@H]2CCOC2)cc1OC	841605773	UWMIUMAECWZQHC-DOMZBBRYSA-N	322.361	1.471	50	20	DDGD	
CC(=O)N[C@H](C(=O)NNc1cccc2cnccc12)C(C)C	748759545	YAGPTNMBAYRRMZ-HNNXBMFYSA-N	300.362	1.839	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@@H]1CN1CCCCC1	744396602	LLCFRIBCDXZJJN-CQSZACIVSA-N	324.469	1.130	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc(Cl)c2)CCN1	841984755	DIULERVTUIAPCR-BXKDBHETSA-N	310.785	1.425	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@@H]2CCS[C@H]2C)cc1	845286505	WZTROSMASCAEPC-GXFFZTMASA-N	323.418	1.922	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1ccc([C@H](C)N)cc1	841125040	CSNOVUOOPZJLLN-VIFPVBQESA-N	313.448	1.772	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1cccc(C(=O)OC)c1OC	846431862	MGCLMKCKFHLATG-KTKRTIGZSA-N	304.302	1.864	50	20	DDGD	
CC(C)C1CCC(=NNC(=O)Cc2cc(O)nc(O)n2)CC1	743447383	HOTBQBHCNWFABW-UHFFFAOYSA-N	306.366	1.749	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(Cl)nn1)C(=O)OC(C)(C)C	840862737	ZKQSSUBIWLZNMF-ZETCQYMHSA-N	300.746	1.551	50	20	DDGD	
O=C(CCN1CCOCC1)NNc1cccc2c1CCCC2	748585341	HAENVTIKMRCRQJ-UHFFFAOYSA-N	303.406	1.731	50	20	DDGD	
C=CCCn1cc(/C=C(/C#N)C(=O)NCCCOC(C)C)nn1	849244095	SPCZGFKRHDTXDG-UVTDQMKNSA-N	317.393	1.692	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C[C@@H](C)n2nc(C)cc2C)n1	746624380	WMYDGVHMKJCJCY-GFCCVEGCSA-N	318.381	1.701	50	20	DDGD	
Nc1cc(C(=O)NN=Cc2ccc(O)cn2)cc([N+](=O)[O-])c1	755566522	WACSFBPTIVRSQC-UHFFFAOYSA-N	301.262	1.042	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C2(OC)CCCC2)nc1C	754285825	UHDVWHUVFWYITH-UHFFFAOYSA-N	322.365	1.364	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2C[C@@H](C)Cc3c[nH]nc32)o1	857862059	XOCFNPICJIEHFK-GZMMTYOYSA-N	302.334	1.438	50	20	DDGD	
CS(=O)(=O)c1ccc(C=NNC(=O)OCC(F)(F)F)cc1	853430985	SVWFQYJYKUCNST-UHFFFAOYSA-N	324.280	1.713	50	20	DDGD	
COC1([C@H](C)NC(=O)NNC(=O)c2cc(C)cs2)CCC1	858543234	QYENAZYPSAFTNW-JTQLQIEISA-N	311.407	1.958	50	20	DDGD	
CC(=O)N[C@H](CCC(C)C)C(=O)NNc1cc(C)nc(C)n1	857129630	ADOITDQIZKFGLN-CYBMUJFWSA-N	307.398	1.477	50	20	DDGD	
C[C@]1(CCC(=O)NC[C@@]2(C)C[C@@H]2Br)CCC(=O)N1	857395479	SCUYBOKJRVRTIK-BIMULSAOSA-N	317.227	1.725	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cccc(Oc2ccncc2)c1	756546556	RUGVTVHNTYZANF-UHFFFAOYSA-N	316.317	1.673	50	20	DDGD	
COCC(=O)N[C@H](C(=O)NNc1ccc(C)c(F)c1)C(C)C	856229234	CJAYNBBSDMYLSL-AWEZNQCLSA-N	311.357	1.364	50	20	DDGD	
CC(=O)c1ncc(C(=O)NNC(=O)OCC(F)(F)F)s1	856026077	LPIYEHZERANKFO-UHFFFAOYSA-N	311.241	1.279	50	20	DDGD	
O=C(CN1CC[C@@H]2C[C@H]2C1)NNC(=O)c1ccccc1Cl	852633720	DFVPRNHUUUKTOD-MNOVXSKESA-N	307.781	1.443	50	20	DDGD	
COc1ccccc1NCC(=O)NN=Cc1cnc(C)n1C	853263057	VQCAOPSDSHKJMV-UHFFFAOYSA-N	301.350	1.299	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1ncncc1F)C1CCCCC1	852681347	OKLVWXWSLMGHDQ-LBPRGKRZSA-N	311.361	1.837	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)c1cccs1)[C@@H]1CCCO1	754518157	WBVYRJICKKBFLI-MNOVXSKESA-N	311.407	1.056	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CCc2ccccc2O)cn1	757734993	ZFPDZDGHXRKFAP-UHFFFAOYSA-N	314.345	1.881	50	20	DDGD	
C[C@]1(CNC(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1Br	857388710	VECDURMZDORZAQ-LDYMZIIASA-N	300.156	1.017	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cc(C(F)(F)F)nn1C	853368031	AJBQPCJXJYNMLX-CBAPKCEASA-N	304.272	1.314	50	20	DDGD	
O=C1Nc2cccc(Cl)c2C1=NNC(=O)c1ccccn1	750912975	UCIBCIBOAGYUHI-UHFFFAOYSA-N	300.705	1.821	50	20	DDGD	
C[C@@H](OCc1ccccc1)C(=O)NNC(=O)OCC(F)(F)F	856024059	GFPBUZOGJCTXEZ-SECBINFHSA-N	320.267	1.911	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)CCCN1C(=O)CNC1=O	928336647	WUNYNMKXPZEYML-UHFFFAOYSA-N	324.768	1.424	50	20	DDGD	
Cc1noc(CN(C)C(=O)NC[C@@]2(C)C[C@H]2Br)n1	856960033	LERDJSJRTHYZDI-LDYMZIIASA-N	317.187	1.693	50	20	DDGD	
Cc1nn(C)cc1S(=O)(=O)NC[C@]1(C)C[C@@H]1Br	856751896	DUAGZVQXRSUOPN-UWVGGRQHSA-N	322.228	1.180	50	20	DDGD	
C[C@H](N)[C@@H]1CCCN(C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	857105586	NNISGWCTDWLHKJ-SRRSOLGSSA-N	318.259	1.929	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCc2c[nH]nc2C1	855622412	FDDDZAIZCPZOTR-MRVPVSSYSA-N	319.296	1.705	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccccc1N1CCOCC1	751368083	GVKNNVPYJUDWDR-UHFFFAOYSA-N	320.393	1.267	50	20	DDGD	
CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NNc1ncc(Cl)cn1	856870536	TYKYJDGCKMPZFI-BBBLOLIVSA-N	311.773	1.570	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(Cl)cn1)[C@H]1CN(C)CCO1	852220045	VJHBPOPHAYQESY-MWLCHTKSSA-N	313.789	1.080	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1cccc(Cl)n1	857325768	JRZPAOHBFLOEOS-UHFFFAOYSA-N	319.752	1.412	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNC(=O)c2ccc[nH]2)cc1F	757696359	NSGMAAPVCYQUHN-UHFFFAOYSA-N	320.280	1.407	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)COC(=O)CC2(C)CC2)c1	758828729	OJWDZMYBHBQVDR-UHFFFAOYSA-N	304.346	1.489	50	20	DDGD	
CCN1CCC[C@H]1CNC(=O)NNC(=O)c1cc(C)cs1	858121002	RIIANIZPRVXNCO-NSHDSACASA-N	310.423	1.485	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=C1c2ccccc2C[C@H]1C	751134222	KPIWIYLHKAARFW-ZIAGYGMSSA-N	315.417	1.667	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1	867351821	JUGXSEFIFFSQLU-DDHJBXDOSA-N	305.827	1.466	50	20	DDGD	
C[C@H](NNC(=O)C1CCN(c2cnccn2)CC1)C(F)(F)F	862307321	JYHMFAJCCXVHRM-VIFPVBQESA-N	317.315	1.265	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNC(=O)c2ccccn2)cc1	763466416	IAXUPJNKIWNNEI-UHFFFAOYSA-N	312.329	1.044	50	20	DDGD	
CCc1nc2c(s1)C(=NNC(=O)[C@@H]1CCC(=O)N1)CCC2	863148427	BRJUPLFAOGROAW-JTQLQIEISA-N	306.391	1.141	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@H]1CCSC1	761804433	BMPWHGHJGQVCJM-JTQLQIEISA-N	303.387	1.611	50	20	DDGD	
O=C(NNC(=O)c1cnn(CC2CC2)c1)c1ccc(Cl)nc1	864903399	VBSBDWIOQMPHMU-UHFFFAOYSA-N	319.752	1.416	50	20	DDGD	
CCOc1cc(F)ccc1NC(=O)C(=O)NNc1cnccn1	766256954	OFDDLDGSUTZMEE-UHFFFAOYSA-N	319.296	1.096	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1C[C@H]2CC[C@H]1[C@@H]1CNC[C@@H]21	866802469	MEBVLKYZALACHB-XQHKEYJVSA-N	320.886	1.511	50	20	DDGD	
CC(=O)N1CCc2c(NC(=O)NNC(=O)C3CCC3)cccc21	769250641	MASHEEAKTDKBIZ-UHFFFAOYSA-N	316.361	1.548	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cn(C)nc1C(C)(C)C	769587214	ZRSKILANFZRLDR-NSHDSACASA-N	310.398	1.219	50	20	DDGD	
CCO[C@H]1COCC[C@@H]1NC(=O)NNc1c(F)cccc1F	760129419	YQMJDBNFEZFXSO-RYUDHWBXSA-N	315.320	1.785	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc2c(c1)CCC(=O)N2)C(F)(F)F	862306596	MNYYIKULGLYFTH-SSDOTTSWSA-N	301.268	1.757	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCCCc1cccs1	769713821	BPPRCIVFWFXLIA-UHFFFAOYSA-N	318.402	1.649	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2cccc(OC3CCCC3)c2)N1	863144724	FBHVZNXQDZDFAT-HNNXBMFYSA-N	315.373	1.737	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCN(CCC#N)CC1	867817996	ADERBHWHDSGVGH-UHFFFAOYSA-N	307.847	1.112	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1	762193902	PRSKJDGYOPECBV-SECBINFHSA-N	317.305	1.191	50	20	DDGD	
CC(C)C(=O)N1CCCC[C@@H]1C(=O)NNc1ncc(F)cn1	760905970	FBLWKUKIMDUGGL-LLVKDONJSA-N	309.345	1.096	50	20	DDGD	
CC(C)N1C[C@H](NC(=O)[C@@H](Br)C(C)(C)C)CC1=O	767932604	DPQMLKMTCYBUOG-MWLCHTKSSA-N	319.243	1.922	50	20	DDGD	
COC[C@](C)(O)C(=O)NNC(=S)Nc1ccc(C)c(C)c1	873763956	PCZCXQKOBUCMBL-AWEZNQCLSA-N	311.407	1.018	50	20	DDGD	
CN1CCC[C@@H](OC(=O)/C(C#N)=C/c2ccc(O)cc2)C1=O	764552137	MXTSORNBASVZFF-BRADTZPFSA-N	300.314	1.463	50	20	DDGD	
Cc1c(C(=O)NNc2nncc(N)c2Cl)cccc1[N+](=O)[O-]	1116292256	BYGUXHPRGBPRFY-UHFFFAOYSA-N	322.712	1.686	50	20	DDGD	
Cc1cc(S(=O)(=O)N2CC=C(C#N)CC2)cc(C(=O)O)c1F	871934937	OIHCDIMHPODDDH-UHFFFAOYSA-N	324.333	1.677	50	20	DDGD	
O=C(CN1CCNCC1)NNc1c(Cl)cccc1Cl	876576350	GIYPIQOXJZBMIS-UHFFFAOYSA-N	303.193	1.342	50	20	DDGD	
C#C[C@H](NC(=O)NNC(=O)c1ccc(CC)cc1)[C@@H]1CCCO1	773557633	FYQXDHXIVPJGEF-GJZGRUSLSA-N	315.373	1.374	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1O)C(C)C	771741287	LMRLCDRHWDBJSA-NSHDSACASA-N	300.742	1.478	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNc1ccnc(Br)c1	771546233	AETRSBDIULBMMW-ZETCQYMHSA-N	315.171	1.202	50	20	DDGD	
COc1cccc(C)c1NC(=O)C(=O)NNc1ncc(F)cn1	773676148	YOIWOAOXVNEIBK-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
COc1nc(C)ccc1C(=O)NNC(=O)Cc1ccc(F)cc1	777274133	FXZRQTLJKGZGNA-UHFFFAOYSA-N	317.320	1.541	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)/C=C\Sc1ccccc1	771912613	RFVIXNUZKGTETB-JUDLJHIGSA-N	322.386	1.782	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ccccc2)ccc1C(N)=O	775530371	RHZUPHZEXJPAAW-UHFFFAOYSA-N	312.329	1.176	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)[C@H]1CCCN1c1ncccn1	778451530	SPNREHYVMNJTHM-LLVKDONJSA-N	318.768	1.637	50	20	DDGD	
Cc1ccc2c(c1)nc(CNS(=O)(=O)CCCCl)n2C	882078252	PTKRJHPBLIOMCG-UHFFFAOYSA-N	315.826	1.930	50	20	DDGD	
O=C1CN(S(=O)(=O)CCCCl)CCN1c1ccccc1	882071364	CJAXNWZXVYJBJW-UHFFFAOYSA-N	316.810	1.294	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@]2(OC)CCSC2)cc1	887664412	KIZJMSHDINXAQR-HNNXBMFYSA-N	308.403	1.532	50	20	DDGD	
CCOCCONC(=O)NNC(=O)[C@@H](CC)c1ccccc1	773518340	XVJWKKWFYHAZEC-ZDUSSCGKSA-N	309.366	1.479	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(C)cnc1Cl	885111249	HYINKUOIIJVOPZ-QMMMGPOBSA-N	313.741	1.146	50	20	DDGD	
C[C@]1(CNS(=O)(=O)CCCCl)C[C@H]1Br	882432389	IHUILTVCUMTAJP-HTQZYQBOSA-N	304.637	1.708	50	20	DDGD	
C[S@](=O)c1ccc(CNS(=O)(=O)CCCCl)cc1	881976524	XRMPPSKXDPOFMF-KRWDZBQOSA-N	309.840	1.472	50	20	DDGD	
COCCCOC1CCN(S(=O)(=O)CCCCl)CC1	881931656	AMVIMIBMHJGJAD-UHFFFAOYSA-N	313.847	1.463	50	20	DDGD	
Cc1ccncc1[C@@H](C)NC(=O)NNC(=O)C1CCOCC1	883580339	AUMCLRZIVLKNQH-LLVKDONJSA-N	306.366	1.208	50	20	DDGD	
O=C(C1CCN(S(=O)(=O)CCCCl)CC1)C(F)(F)F	882085002	RUKZBHDLDRZXJN-UHFFFAOYSA-N	321.748	1.789	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@@H](C)c1csc2ccccc12	1120040572	HLAJUHGDTYZMHX-QMMMGPOBSA-N	321.358	1.466	50	20	DDGD	
O=C(CNC(=O)N1CCCC1)NNc1c(F)cc(F)cc1F	885155421	SMBLJPOYJVDSLA-UHFFFAOYSA-N	316.283	1.352	50	20	DDGD	
CN1CC[C@H](C(=O)NNC(=O)NCc2ccc(Cl)cc2)C1	787430070	YZKARRRMTWJVOK-NSHDSACASA-N	310.785	1.122	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)cc1C	780315040	MNPYBHQTNKOGKU-FVQBIDKESA-N	318.373	1.255	50	20	DDGD	
C[C@@H]1CC[C@H](NC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1	780782335	KLPRAXYJSKSKRJ-UHIISALHSA-N	319.361	1.345	50	20	DDGD	
O=C(NNc1ccc(F)cc1)C(=O)Nc1ccnn1CC1CC1	784786449	VJCAOSIXISRKBU-UHFFFAOYSA-N	317.324	1.514	50	20	DDGD	
O=C1CSc2ccc(NC(=O)NN=c3cc[nH]cc3)cc2N1	782016669	SYMSVYFACDSQIX-UHFFFAOYSA-N	315.358	1.696	50	20	DDGD	
CC(Cc1ccccc1F)=NNC(=O)CNC(=O)c1ccco1	780218181	CECHFGGKCRRXCA-UHFFFAOYSA-N	317.320	1.883	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CO[C@@H](C)C2)c(C)c1	784767477	ODMGCKAEUTWQSZ-STQMWFEESA-N	305.378	1.288	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(C)n(-c2ccccc2)n1	785861861	HQVVQUDAHXLBTO-UHFFFAOYSA-N	316.365	1.879	50	20	DDGD	
Cn1cc(C(=O)CCC(=O)NNc2cnc3ccccc3n2)cn1	793819129	UBNNICZYHHYGJG-UHFFFAOYSA-N	324.344	1.470	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC2CCN(C(C)C)CC2)n1	792779026	YMIYBKBZDQZHDB-UHFFFAOYSA-N	319.409	1.207	50	20	DDGD	
Cc1ccc(CNC(=O)NNc2nc3ccccn3n2)s1	790140254	ZXOVGGFHLSYXTE-UHFFFAOYSA-N	302.363	1.926	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)CCc1ccccc1	793329067	QTDWBSWYQIWOGS-TZMCWYRMSA-N	302.374	1.772	50	20	DDGD	
Cn1cnc(CNC(=O)NNc2cc(Cl)cc(Cl)c2)n1	790441847	DLOYFJGLJJDDMI-UHFFFAOYSA-N	315.164	1.948	50	20	DDGD	
N#CC1(CNC(=O)NNC(=O)CCCc2ccccc2)CC1	797583089	PPEBDFFGKJULST-UHFFFAOYSA-N	300.362	1.643	50	20	DDGD	
COC(=O)[C@@H]1C[C@H](F)CN1C(=O)/C(C#N)=C/c1ccc(O)cc1	794215511	XTHPKCDQMIDFPT-LIKCUEIDSA-N	318.304	1.411	50	20	DDGD	
Cc1ncc(CCNC(=O)NNc2nc3ccccn3n2)s1	790428656	ZQEJYDWHVUFAEN-UHFFFAOYSA-N	317.378	1.363	50	20	DDGD	
COc1ccc(CC(=O)NNc2cccc([N+](=O)[O-])c2C)nc1	790001330	WSKCZZNLRIMUBR-UHFFFAOYSA-N	316.317	1.993	50	20	DDGD	
COCCOc1cccc(C(=O)NNC(=S)NC(C)C)c1	1317961149	PXKDELRYRGSVRX-UHFFFAOYSA-N	311.407	1.229	50	20	DDGD	
Cc1cc(F)ccc1C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1319496037	AOZAMCHCUBFASY-UHFFFAOYSA-N	316.336	1.811	50	20	DDGD	
CCC[C@@H](OCC)C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1329174002	QYQSXBBGVOCLRF-GFCCVEGCSA-N	308.382	1.255	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1	1325309875	BIWYNZBNDBVZMA-IACUBPJLSA-N	308.426	1.285	50	20	DDGD	
Cn1ncc([N+](=O)[O-])c1C(=O)NNc1ncnc2ccsc12	1324657152	JLVWBKDSMAXQFT-UHFFFAOYSA-N	319.306	1.090	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC[C@@H]2CCCCO2)cc1	1323595518	MFVGCUPEPVMJSA-AWEZNQCLSA-N	321.377	1.598	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=S)NC(C)C)s1	1251155407	DKTBFASWHLJHTI-UHFFFAOYSA-N	300.453	1.921	50	20	DDGD	
C[C@H]1[C@H](C)CCC[C@H]1CNC(=O)NNC(=O)C1CCNCC1	1325324628	RNONMUJHCXEMAJ-DYEKYZERSA-N	310.442	1.389	50	20	DDGD	
CC1CCC(N2C[C@H](C(=O)NNc3ccn(C)n3)CC2=O)CC1	1324864571	MPOYGFCOGZJJPB-OTTFEQOBSA-N	319.409	1.290	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cn2cc(Cl)cn2)cc1	1324290736	GMLFCIKLSRTEJK-UHFFFAOYSA-N	308.725	1.006	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ncc(Cl)cc1Cl	1337035043	DSTQMALTHYZNCD-UHFFFAOYSA-N	321.164	1.369	50	20	DDGD	
CCN(CC)[C@H](C(=O)NNc1ccn(C)n1)c1ccccc1	1331513703	QVXDEFGNYPMFSD-HNNXBMFYSA-N	301.394	1.946	50	20	DDGD	
Cc1ccccc1C(F)(F)C(=O)NNc1ncnc2[nH]cnc12	1336414914	VLVWYCMJJKGWSY-UHFFFAOYSA-N	318.287	1.896	50	20	DDGD	
CCN1C[C@H](C)N(C(=O)NNC(=O)c2cc(C)cs2)C[C@@H]1C	1334939289	KSOYWIRQSJCJFB-RYUDHWBXSA-N	324.450	1.825	50	20	DDGD	
CN1CCCC[C@@H]1CNC(=O)NNC(=O)CCc1ccccc1	1263762720	LVNAEPALPIEWSJ-OAHLLOKOSA-N	318.421	1.434	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)[C@H]1CCN(Cc2ccccc2)C1=O	1341059679	IFYFWMSRENWEKT-CYBMUJFWSA-N	317.389	1.229	50	20	DDGD	
CC(=NNC(=O)c1cccnn1)c1nc2c(s1)CCCC2	1349828704	JQGGDEDKWAKGCJ-UHFFFAOYSA-N	301.375	1.966	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)[C@@H]1CCc2nnc(O)n2C1	1262642877	UXOQALLWBLHMJQ-SECBINFHSA-N	321.768	1.651	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CC[C@H](c3ccccn3)C2)cn1	1347925623	GRXOLOCXHUDWGF-GFKDLEGOSA-N	307.357	1.738	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)[C@H]3C[C@@H]3F)n[nH]2)cc1C	1519840348	FABRNYJTQJWYGW-RYUDHWBXSA-N	316.336	1.813	50	20	DDGD	
Cc1ncccc1CCNC(=O)NNc1cccc(C(=O)O)c1	1600753064	PIJQXQYKQZODTH-UHFFFAOYSA-N	314.345	1.957	50	20	DDGD	
O=C(NCCCN1CCCC1=O)NNc1cccc(C(=O)O)c1	1601496693	FLFHQODFZBOAMR-UHFFFAOYSA-N	320.349	1.023	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=C2CC[C@H](C(=O)O)C2)n1	1600184210	QKQIHLLKMVHYIU-JTQLQIEISA-N	322.390	1.542	50	20	DDGD	
C[C@H](NNC(=O)c1ccc(OCC(=O)O)cc1)C(F)(F)F	1603250944	UFLSPTMLLPJWDL-ZETCQYMHSA-N	306.240	1.335	50	20	DDGD	
CCO[C@H](C(=O)NNc1ccc(C(=O)O)cc1OC)C(C)C	1605586246	BKGAKARCXPBVOQ-ZDUSSCGKSA-N	310.350	1.898	50	20	DDGD	
O=C(O)Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	1602125006	LXNVERQUBAWYER-LBPRGKRZSA-N	321.333	1.036	50	20	DDGD	
O=C(NCc1ccccc1)NNC(=O)c1ccc(C(=O)O)o1	1601542460	IKEAKEZDITXEMC-UHFFFAOYSA-N	303.274	1.122	50	20	DDGD	
CC(C)[C@H](NS(=O)(=O)c1ccc(CCCl)cc1)C(=O)O	1603980752	SIUYPHODPDPRID-LBPRGKRZSA-N	319.810	1.855	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNc1ccc(C(=O)O)cn1	1606435746	XZDOYVVHBPDGTD-UHFFFAOYSA-N	309.322	1.202	50	20	DDGD	
O=C(NNc1cccc(F)c1C(=O)O)c1cnc2[nH]ncc2c1	1601560737	WKPNARZNKRRGRS-UHFFFAOYSA-N	315.264	1.552	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)c(F)c1	1549313870	IVNOLDNMORWTNF-IUODEOHRSA-N	321.352	1.148	50	20	DDGD	
O=C(NN=C1CCC[C@H](C(F)F)C1)[C@@H]1CN2CCC[C@@H]2CO1	1549321350	RSJDLBIBKNVNER-UHTWSYAYSA-N	315.364	1.777	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C=NNC(=O)c1cnsn1	1552920033	LXSCOJMRDVJBDB-GXSJLCMTSA-N	320.378	1.155	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@H]2C[C@@]23CCNC3)cc1C	1573793863	QTYVJFCWXVUWGJ-RHSMWYFYSA-N	317.389	1.614	50	20	DDGD	
COc1cccc2c1CC[C@]2(N)C(=O)NNc1ncccc1F	1579291937	UTFSZMURTHBZSU-MRXNPFEDSA-N	316.336	1.473	50	20	DDGD	
CC1(C)CCN[C@H]1C(=O)NNC(=O)NCCc1cccs1	1576442568	AGYGSHMUXOMZCP-NSHDSACASA-N	310.423	1.009	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1C[C@@H](O)C[C@H](C(=O)O)C1	1589700131	UCKFXWZYJZQALB-XHNCKOQMSA-N	322.199	1.090	50	20	DDGD	
COc1ncccc1C(=O)NNc1cccc(C(=O)O)c1C	1599736699	GFZWYHPZTCXDII-UHFFFAOYSA-N	301.302	1.854	50	20	DDGD	
O=C(CCSc1ccccn1)NNc1ncccc1C(=O)O	1594687803	LDOWBQDOSOSVMA-UHFFFAOYSA-N	318.358	1.800	50	20	DDGD	
N#Cc1ccc(NNC(=O)C2(C(=O)O)CCSCC2)cc1	1594623844	KZRQWPXTMVVBKR-UHFFFAOYSA-N	305.359	1.599	50	20	DDGD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NNc1ccc(C(=O)O)cc1F	1594126128	PPSYHAWXJPPFDB-BDAKNGLRSA-N	308.309	1.972	50	20	DDGD	
C[C@H](Oc1cccc(C=NNC(=O)c2cc[nH]n2)c1)C(=O)O	1776091906	MZEJEBBSPFEDCB-VIFPVBQESA-N	302.290	1.026	50	20	DDGD	
C[C@@H](Oc1cccc(C=NNC(=O)c2cn[nH]c2)c1)C(=O)O	1776093959	UHCBFECFNRXMLV-SECBINFHSA-N	302.290	1.026	50	20	DDGD	
CC(=NNC(=O)c1ccc(=O)n(C)c1)c1cc(C(=O)O)cs1	1776103629	SFADPDJXHXXFCK-UHFFFAOYSA-N	319.342	1.299	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccccc2O)c(F)c1	17575156	CIGSNJLYDDXUIV-UHFFFAOYSA-N	304.277	1.615	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)CCC(=O)NC2CCCC2)n1	161956844	SFWRRVZMYPGQMB-UHFFFAOYSA-N	305.382	1.376	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)c2cccnc2)cccc1[N+](=O)[O-]	158811056	QBADZEAZYTXZSF-UHFFFAOYSA-N	314.301	1.302	50	20	DDGD	
N#Cc1cccc(NNC(=O)CNC(=O)NC2CCCCC2)c1	152403047	LPIDHOLHXCRQGK-UHFFFAOYSA-N	315.377	1.633	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CCn2cc(C)cn2)n1	155889361	YQEOGHVFYIENRJ-UHFFFAOYSA-N	317.397	1.361	50	20	DDGD	
C[C@@H](CC(=O)NNc1ccc(C(N)=O)nn1)c1ccccc1F	154279827	XNOIRXPJCIDSRS-VIFPVBQESA-N	317.324	1.352	50	20	DDGD	
COC(=O)[C@H](C)CN(C)S(=O)(=O)c1ccc(CCl)cc1	383244580	GLUKOXQUVINIJP-SNVBAGLBSA-N	319.810	1.855	50	20	DDGD	
O=C1CC[C@H]2CN(CCI)CC[C@H]2N1	852497389	VKQUEFMOSKXJSG-DTWKUNHWSA-N	308.163	1.022	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N[C@H]1CCC[C@H]1C	104817971	YWGYJYJMXMGQCZ-PWSUYJOCSA-N	315.377	1.775	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)Cn1ccc2ccccc21)N(C)C	106918248	SSOSQSJQMAJLGA-MRXNPFEDSA-N	316.405	1.375	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCc2c(C)noc2C)n1	175482122	XIZTWBYQPYDSJC-UHFFFAOYSA-N	320.353	1.267	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@](C)(O)c1ccc(F)cc1F	178970209	AEVMZZFMXADXOG-HQPKTYMTSA-N	310.300	1.732	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)ncn1	179446008	CPUXOQOAOPYYRC-UHFFFAOYSA-N	324.300	1.998	50	20	DDGD	
Cc1nnc(NNC(=O)C23CC4CC(CC(C4)C2)C3)nc1O	29066750	BUMXBRAMLOORIO-UHFFFAOYSA-N	303.366	1.545	50	20	DDGD	
O=C(NCc1ccnc(N2CCCC2)c1)NNc1cccnn1	172486634	VHQWTKBWRNNMLS-UHFFFAOYSA-N	313.365	1.298	50	20	DDGD	
Cc1nn(C)c(C)c1CCC(=O)NNC(=O)NC1CCCC1	65920340	MSLAJWRUKFLDFD-UHFFFAOYSA-N	307.398	1.243	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)c1ccc(Cl)cc1O	176137905	OQAXJGIFAPUWBA-UHFFFAOYSA-N	305.721	1.824	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(Cl)ccc2O)n(C)n1	126199141	XVUISGAARXRBBU-UHFFFAOYSA-N	308.725	1.162	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)CC2(O)CCCC2)c1	181120449	XVXCUGHZNMCGTA-UHFFFAOYSA-N	312.391	1.228	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccnnc1	129251328	ZWOHVHXYSRUXNL-UHFFFAOYSA-N	311.128	1.858	50	20	DDGD	
CC[C@@H](SC)C(=O)NNC(=O)COc1cc(C)cc(C)c1	124777869	BYRUYASSFGMFBH-CYBMUJFWSA-N	310.419	1.971	50	20	DDGD	
Cc1coc(SCC(=O)NNC(=O)Cc2ccccc2C)n1	188362306	JUBSCASUDNTIFS-UHFFFAOYSA-N	319.386	1.774	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1ccc(F)cc1)N1[C@H](C)CC[C@H]1C	122011800	RTHCCIQCBBMJJC-UPJWGTAASA-N	321.396	1.777	50	20	DDGD	
CN(NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)C(N)=O	182655552	HWZMMDJEDIHGEZ-UHFFFAOYSA-N	312.329	1.339	50	20	DDGD	
CN(C)N(C(=O)C1=CCCCCC1)[C@@H]1CCS(=O)(=O)C1	120438637	FMZTYQDTJYMTEN-CYBMUJFWSA-N	300.424	1.369	50	20	DDGD	
COc1cccc(NNC(=O)c2n[nH]c3ccccc3c2=O)n1	180685591	VATRQUAMDRNDSK-UHFFFAOYSA-N	311.301	1.084	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccccc1C#Cc1ccccc1	125636886	YJYJAIGPNRZBRV-UHFFFAOYSA-N	323.352	1.622	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)COCc2ccccc2)c(C)n1	180956844	WASZJBCZEFLQOG-UHFFFAOYSA-N	314.345	1.071	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)c1ccccc1)c1nccs1	182866566	VKCNFGZLEBXPPG-SNVBAGLBSA-N	304.375	1.891	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc2c(s1)CCOC2	184363444	YUVIRDCTHFKMCI-UHFFFAOYSA-N	306.347	1.376	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc(C(N)=O)cn1	181272320	URNKLBJRNMNGDL-UHFFFAOYSA-N	321.340	1.794	50	20	DDGD	
COc1ccc(COCCCC(=O)NNc2cnccn2)cc1	89828443	UUOKMVMBTOKGJG-UHFFFAOYSA-N	316.361	1.925	50	20	DDGD	
CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NN	193441096	KFOFIGLXPOSNOJ-SNVBAGLBSA-N	301.799	1.181	50	20	DDGD	
O=C(NCC1CCCC1)NNC(=O)c1cccc([N+](=O)[O-])c1	47014650	MCFZUSNUGAJYHI-UHFFFAOYSA-N	306.322	1.729	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CC(O)(CC#N)C2)cc1	193982370	WJQCFQYNWOOUGN-NTEUORMPSA-N	311.341	1.479	50	20	DDGD	
CC(C)n1cnc(S(=O)(=O)NNC(=O)c2ccccc2)c1	131453154	NEIILGJSLLCYJK-UHFFFAOYSA-N	308.363	1.087	50	20	DDGD	
O=C(NNC(=O)c1ccccc1O)c1cc(-c2cccnc2)on1	45876838	RKJWGPIILOICAR-UHFFFAOYSA-N	324.296	1.517	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)C[C@@H]2CCCOC2)cc1	194530135	SRKVOKVVTUZXIO-LBPRGKRZSA-N	320.393	1.722	50	20	DDGD	
O=C(NNc1cccc(Br)c1)[C@H]1COCCO1	193110418	JVPKHMNEJZCACA-SNVBAGLBSA-N	301.140	1.308	50	20	DDGD	
O=C(NNc1cccnn1)C(=O)Nc1ccc2ccccc2c1	190363631	FZZYRVYSFOSAMO-UHFFFAOYSA-N	307.313	1.712	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1cccnc1Cl)N1CCCC1=O	85683984	JPABTZAJKZYLIP-LBPRGKRZSA-N	310.785	1.825	50	20	DDGD	
Cc1cc(NC(=O)NNc2cnccn2)ccc1C(=O)N(C)C	92765062	BWDXVLXSSGNFRL-UHFFFAOYSA-N	314.349	1.635	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1	248373316	HXOQUUZLZARZDK-YDHLFZDLSA-N	302.374	1.957	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)c2cc(C)n[nH]2)cc1OC	254874038	WQJAMJPKYVCVBO-UHFFFAOYSA-N	302.334	1.889	50	20	DDGD	
Cc1ccc(Br)c(C(=O)NNC(=O)NC2CC2)c1	268596355	IQKLHQFGYLREJG-UHFFFAOYSA-N	312.167	1.864	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@@H]1CCCN1c1ccccc1	366774089	KHKHXXZTBPUOBM-INIZCTEOSA-N	324.384	1.441	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H](Br)C(C)(C)C)n1	272625774	SGGACUVCYKBQRM-QMMMGPOBSA-N	317.187	1.738	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)[C@@H]1C[C@@]12CCOC2	364097558	MJNQQKQFWVPAKL-SMDDNHRTSA-N	309.391	1.048	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)C(F)(F)C(F)F	270015397	BUSLIKLHKIPXIG-UHFFFAOYSA-N	306.141	1.839	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNC(=O)CC2CC2)c1Cl	274066612	MUUKLTGIPOBSKN-UHFFFAOYSA-N	309.753	1.534	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)CC(C)(C)C)c1Br	274232245	QDGRFRUJZLHWHN-UHFFFAOYSA-N	317.187	1.380	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)CCc2ccc3c(c2)CCO3)CC1	277682140	IWEPHTYQOPBBPY-UHFFFAOYSA-N	318.398	1.649	50	20	DDGD	
CCC(O)(CC)CCNC(=O)NNc1ccc(Cl)nn1	276250125	HEJVKTRBHXLPRH-UHFFFAOYSA-N	301.778	1.697	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)CC(C)C)cc1Cl	274143552	KBAVMQTXWCBEIS-UHFFFAOYSA-N	311.769	1.780	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NNc1c(F)cccc1Cl	274603741	MBLCSXCAEIOZNF-SNVBAGLBSA-N	315.776	1.891	50	20	DDGD	
CCc1onc(C)c1NC(=O)C(=O)NNc1ccc(OC)cc1	275779680	XBCWHMYCUAZKPC-UHFFFAOYSA-N	318.333	1.636	50	20	DDGD	
CC1(C)C(CNC(=O)NNC(=O)Cc2cccnc2)C1(C)C	279942703	NXAJWUDXLIVOSH-UHFFFAOYSA-N	304.394	1.637	50	20	DDGD	
CCOc1nc(C)ccc1C(=O)NNc1nc(C)cc(OC)n1	276893417	MLBBQKWYDUIAHF-UHFFFAOYSA-N	317.349	1.653	50	20	DDGD	
CCC1(C(=O)NNc2nc(-c3ccncc3)no2)CCOCC1	272386008	IKKSFCAVELCHHE-UHFFFAOYSA-N	317.349	1.782	50	20	DDGD	
CSSCCNC(=O)c1ccc2nnc(S)n2c1	285657009	JQDIZZCVIICSIM-UHFFFAOYSA-N	300.434	1.759	50	20	DDGD	
CO[C@H]1CCC[C@H](CC(=O)NNc2cc(Cl)nc(N)n2)C1	281761467	ZWGNQNZCNWUNFA-IUCAKERBSA-N	313.789	1.751	50	20	DDGD	
O=C(NNc1ncccn1)[C@H]1CCN(c2ccccc2F)C1	289563016	VCWWEZFLWCUVOO-NSHDSACASA-N	301.325	1.585	50	20	DDGD	
CCOC1CC(C(=O)NNc2nc3ccccc3c(=O)n2C)C1	287619678	XZKDSPKCINULKZ-UHFFFAOYSA-N	316.361	1.192	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2C[C@H]2c2cccnc2)nc1	370032193	SDGRTTILWLEQIE-QWHCGFSZSA-N	312.329	1.510	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnc(C3OCCO3)s2)o1	287732140	KMWJSQKIYWSNMA-UHFFFAOYSA-N	323.330	1.165	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NCCn1cnc(C#N)n1	287003506	UQJKCQUSFFZBRG-SECBINFHSA-N	314.187	1.076	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1cccc(F)n1)N1C[C@H](C)O[C@H](C)C1	286566781	LELSJEPORVOZGV-TYNCELHUSA-N	324.400	1.798	50	20	DDGD	
O=C(C=C(C1CC1)C1CC1)NNc1ccc(-n2ccnc2)nn1	286536405	GUFVJCCSBABNBS-UHFFFAOYSA-N	310.361	1.852	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H]1OC[C@@H]2COCC[C@H]21	290437824	HOBCCFICGKBNAJ-DRCTWCGVSA-N	323.301	1.560	50	20	DDGD	
O=C(NNc1cccc(F)n1)Nc1cnn(-c2ccccn2)c1	806295105	UNMKFKZNBZDXEV-UHFFFAOYSA-N	313.296	1.950	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1sccc1Cl	803769488	QYRPBRUVLCFKRL-LURJTMIESA-N	304.755	1.504	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)[C@H]2CCCCO2)c(C(C)C)n1	295587586	CWTOOCZKNBZAOI-GFCCVEGCSA-N	306.366	1.239	50	20	DDGD	
CN(NC(=O)c1ccc(C(N)=O)c(Cl)n1)c1ccccc1	806344659	MRYJDEOBICJEAC-UHFFFAOYSA-N	304.737	1.615	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)C[C@@H]2CCCC(=O)N2)o1	809639357	KWOXSJYTJJJFDK-VIFPVBQESA-N	305.338	1.172	50	20	DDGD	
Cc1c(C(=O)NNC(=O)N2CCOCC2)oc2ccc(F)cc12	299385703	PPKZEDBZDCIUMN-UHFFFAOYSA-N	321.308	1.567	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2c3ccccc3O[C@@H]2C)n1	291824066	MLPOYWNTBUXGCK-RNCFNFMXSA-N	315.333	1.634	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)Nc1ccc(OC)cc1)N(CC)CC	802057032	KJHUDUNHZKUZTQ-CQSZACIVSA-N	322.409	1.968	50	20	DDGD	
CN(C)c1ccc(CNC(=O)NNc2cccc(F)n2)cn1	804909372	TZVNKDYTCFEPIX-UHFFFAOYSA-N	304.329	1.508	50	20	DDGD	
O=C(CC1(N2CCOCC2)CCCC1)NNc1ncncc1F	293873752	CZKXIYVYVPTPCG-UHFFFAOYSA-N	323.372	1.094	50	20	DDGD	
CC[C@H]1CCC[C@H]1C(=O)NNc1nc(O)c2cnn(C)c2n1	294866106	BMCMBQDTKIALOV-DTWKUNHWSA-N	304.354	1.338	50	20	DDGD	
COC[C@@H](Cc1ccccc1)NC(=O)NNc1ncncc1F	814308804	SMCCKPSKMLTICI-GFCCVEGCSA-N	319.340	1.500	50	20	DDGD	
CO[C@@H](C)[C@@H](C)NC(=O)NN=c1sc2ccccc2n1C	811957623	GKGKIEYNOIHUOQ-ZJUUUORDSA-N	308.407	1.778	50	20	DDGD	
O=C(NNc1ncncc1F)c1ccc2nc(S)oc2c1	817080284	YKVMCUQGRUSBFH-UHFFFAOYSA-N	305.294	1.803	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NN=C1CCC(C(=O)O)CC1	814827385	HWVAVRIXZWVMME-UHFFFAOYSA-N	323.374	1.225	50	20	DDGD	
CC(=O)NNC(=O)c1nn(-c2cccc(F)c2)c2c1CCC2	817509751	WHMPPGSGZNUSCV-UHFFFAOYSA-N	302.309	1.281	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@H](C)NC(C)=O)cc1C	812721918	FUQQBPKDJHRNPT-JTQLQIEISA-N	307.350	1.139	50	20	DDGD	
C[C@H](C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CCCCC1	814816105	NLFBQQSIUFGPCO-DGCLKSJQSA-N	315.439	1.675	50	20	DDGD	
CC[C@H](CS(=O)(=O)NNC(=O)c1ccc(Cl)cc1)OC	817348158	HSIRNASCQUKGEX-LLVKDONJSA-N	320.798	1.329	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N	815562871	OEDGEZLUSREIRH-UHFFFAOYSA-N	322.390	1.413	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H]1CCN(c2ccccc2Cl)C1	810587910	UKGIJIBLALIUAC-LLVKDONJSA-N	324.812	1.907	50	20	DDGD	
CO[C@H]1CCC[C@@H](C(=O)NNC(=O)COc2ccccc2O)C1	815509328	CYAXBOITBUBULQ-NEPJUHHUSA-N	322.361	1.124	50	20	DDGD	
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NNC(=O)CC1CC1	819140722	MOPGJPNKKKBXGL-OAHLLOKOSA-N	309.366	1.196	50	20	DDGD	
C=CCOc1ccc(C=NNC(=O)C(=O)NC2CC2)cc1Cl	727253631	KBBWDYDLIZKABW-UHFFFAOYSA-N	321.764	1.634	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@@H](NC(=O)O)C(C)C)n1	827052455	SKWQQGMHEILWLK-NSHDSACASA-N	324.385	1.058	50	20	DDGD	
CCn1nccc1C=NNC(=O)CCNC(=O)OC(C)(C)C	495274887	CSRPHMVNFKNAQN-UHFFFAOYSA-N	309.370	1.268	50	20	DDGD	
COC(=O)N(C)CCNC(=O)NNc1c(F)cccc1F	822794981	WZYXMOOPDNCXHZ-UHFFFAOYSA-N	302.281	1.289	50	20	DDGD	
O=C(/C=C/C1CCOCC1)NNc1ccc(-n2ccnc2)nn1	492801551	QUGQXLFHOOYRNL-DAFODLJHSA-N	314.349	1.088	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NOCC2CCC2)ccc1F	824112058	PVZWHSXLZJJDGY-UHFFFAOYSA-N	311.313	1.970	50	20	DDGD	
CC[C@@H](O)CCCNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	490727062	XMDCXZIKYLLZQG-WPMUKRGUSA-N	314.389	1.779	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc2c(N(C)C)cccc2s1	822556307	DZQNSPRSEWMDQB-JTQLQIEISA-N	307.419	1.925	50	20	DDGD	
C[C@@H]1COCCN1CCNC(=O)/C(C#N)=C/c1ccc(O)cc1	490979082	XLNBYSYWEXVKIB-QQFZQELXSA-N	315.373	1.136	50	20	DDGD	
COc1cc(F)cc(C[C@@H](C)NCc2cccc(B(O)O)c2)c1	585044290	DVZFLKISODALEF-GFCCVEGCSA-N	317.169	1.235	50	20	DDGD	
CCCNC(=O)NNC(=O)c1nc(Br)sc1C	822800088	PKCCHJKFBSUGTL-UHFFFAOYSA-N	321.200	1.568	50	20	DDGD	
Cc1ncsc1/C=C\C(=O)NNC(=O)N=c1cc[nH]cc1	492809018	FERRHGOKCHROGE-IHWYPQMZSA-N	303.347	1.135	50	20	DDGD	
Cn1cc(NC(=O)[C@]2(C)C[C@@H]2Br)cc1C(N)=O	906959099	SKYDLUDMVJWIMC-GZMMTYOYSA-N	300.156	1.236	50	20	DDGD	
COc1cncc(S(=O)(=O)NN(C)C(=O)OC(C)(C)C)c1	496868317	ZATCDPSLAHOOQE-UHFFFAOYSA-N	317.367	1.150	50	20	DDGD	
O=C(CCSc1ccc(Br)cc1)NCB(O)O	585063082	YYSVNDWJWBOKDG-UHFFFAOYSA-N	318.001	1.060	50	20	DDGD	
O=C(Cc1cccc(CC(F)(F)F)c1)N1CC[C@@H](B(O)O)C1	585064134	MTIRQOFIBBVLPG-GFCCVEGCSA-N	315.100	1.409	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)[C@H]2CCO[C@@H]2C)c(F)c1	905485343	WDEWATCPZAHLFD-SKDRFNHKSA-N	308.309	1.487	50	20	DDGD	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)N2CCCC2)cc1	490844561	QUBYRTWHNXKRNM-UVTDQMKNSA-N	314.341	1.768	50	20	DDGD	
CC(C)CCCNC(=O)NNC(=O)CNC(=O)OC(C)(C)C	494554961	MYENXHWALSVXQW-UHFFFAOYSA-N	316.402	1.278	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CC[C@H](CCCO)C1	491177397	WJPMMYGEATUYMB-GWQWUEFDSA-N	300.358	1.920	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)COc1ccc(C)c(C)c1	739679179	RFITUWHOYBFHIT-UHFFFAOYSA-N	317.345	1.694	50	20	DDGD	
NC(=O)NCCCCCC(=O)NNc1cc(F)c(F)cc1F	734553368	MIKLCSAROHDVHB-UHFFFAOYSA-N	318.299	1.776	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc(C)c2ncccc12	495447543	HIYQIZSNNMSUOG-UHFFFAOYSA-N	316.317	1.259	50	20	DDGD	
C[C@@]1(C(=O)N2CCC3(CC2)CNC(=O)C3)C[C@@H]1Br	906869662	IVPHVCNEBMLXIQ-JOYOIKCWSA-N	315.211	1.289	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21)c1ccccc1	906641261	DUWOHAOWLFZTJX-DDHJSBNISA-N	300.358	1.553	50	20	DDGD	
CCCN(CC)C[C@H](C)NC(=O)NNC(=O)[C@@H]1CCCCO1	836466522	HGUOZAATKXXGFV-STQMWFEESA-N	314.430	1.006	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC1(N(C)C)CCCCCC1	731278464	BUXCGSSDIUEEOS-UHFFFAOYSA-N	314.430	1.008	50	20	DDGD	
COCCN(C)NC(=O)c1cc(C)n(CC(F)(F)F)c1C	837621779	NKJBXSLTNFROQT-UHFFFAOYSA-N	307.316	1.890	50	20	DDGD	
CC(C)N1CCN(CCCC(=O)NNc2ccccn2)CC1	901339143	LYPBATZRYLFTJT-UHFFFAOYSA-N	305.426	1.331	50	20	DDGD	
COc1cc(F)c(S(=O)(=O)NNC(=O)CC(C)C)cc1F	901835779	FHFFJOFPIFVXIW-UHFFFAOYSA-N	322.333	1.329	50	20	DDGD	
CCCNC(=O)NN=Cc1cnn(-c2ccc(OC)cc2)c1	834948172	SQRXJFUUUBMYAT-UHFFFAOYSA-N	301.350	1.924	50	20	DDGD	
O=C(Cc1ccccc1O[C@H]1CCOC1)NNC(=O)CC1CC1	832912883	LZILXJKCZWFWDY-AWEZNQCLSA-N	318.373	1.344	50	20	DDGD	
CC(=NNC(=O)COc1ccc(C#N)cc1)c1cncs1	734744801	IZBDXQGUPJDXAN-UHFFFAOYSA-N	300.343	1.934	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21	906539701	JAWHKSHQSMDOOI-DAXOMENPSA-N	300.358	1.382	50	20	DDGD	
COCC[C@H](C)NC(=O)NNc1cccc(Br)n1	838120829	WZVHOHUWWVKSBV-QMMMGPOBSA-N	317.187	1.895	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H](c1ccccn1)C1CCCC1	585026614	IPHVCRGSAGQLPC-GOSISDBHSA-N	310.206	1.783	50	20	DDGD	
C[C@@H]1C[C@@H]1c1ccc(-c2nc(-c3cccc(B(O)O)c3)no2)o1	585054341	SWGIIYCLBMOZFP-SKDRFNHKSA-N	310.118	1.800	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cc2c(C)n[nH]c2C)c1F	837058272	PYEJKVRANARQRS-UHFFFAOYSA-N	320.324	1.638	50	20	DDGD	
Cc1cc(C(=O)N2CC[C@@H](B(O)O)C2)c(C)n1-c1ccccn1	585068441	AWZQIVAIOHCAAP-CYBMUJFWSA-N	313.166	1.178	50	20	DDGD	
C[C@@H]1CN(CC(=O)NNC(=O)c2cccs2)CC2(CCC2)O1	830728341	DVAFOADFBBLFPH-LLVKDONJSA-N	323.418	1.153	50	20	DDGD	
N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CC[C@@H](B(O)O)C1	585078499	FLEGCGCYBOJOML-MRVPVSSYSA-N	321.067	1.577	50	20	DDGD	
C[C@@H]1C[C@@H](NCc2cccc(B(O)O)c2)CN1Cc1ccccc1	585028188	GFOQKUNAQDLBOW-DNVCBOLYSA-N	324.233	1.119	50	20	DDGD	
O=S(=O)(CCl)N1CCC(OC[C@@H]2CCCCO2)CC1	830804100	UMGYWFOYIAYVDJ-LBPRGKRZSA-N	311.831	1.563	50	20	DDGD	
COc1ccc(C(=O)NN=C2CCOC2)cc1Br	731937862	PEGZHOQJBJZBDG-UHFFFAOYSA-N	313.151	1.964	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc2c(C)nn(C)c2s1	836482353	KERDANMFTFOZLG-UHFFFAOYSA-N	309.420	1.238	50	20	DDGD	
O=C(NN=Cc1cccnc1)c1nn(-c2ccccc2)cc1O	916353694	VOAVVXUGLSTPNX-UHFFFAOYSA-N	307.313	1.737	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2(C(=O)C3CC3)CC2)c1F	837060844	GCAFGDSWLUNEJK-UHFFFAOYSA-N	320.320	1.815	50	20	DDGD	
CC(C)CN1C[C@@H](C(=O)NNc2ccc(C#N)cc2)CC1=O	748117587	KLVBIBXGYLZULB-ZDUSSCGKSA-N	300.362	1.506	50	20	DDGD	
CCO[C@H]1CCCN(CC(=O)NNC(=O)c2cccc(C)c2)C1	744406105	AAPUXRMONIWBEZ-HNNXBMFYSA-N	319.405	1.257	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC(N2CC[C@@H](O)C2)C1	846515673	OOQLDGMPVJRGNA-MNOVXSKESA-N	319.243	1.073	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@H]2CCC(=O)C2)c1	843870956	ASISIXLZAOIOCA-JTQLQIEISA-N	304.350	1.592	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C1CCN(C)[C@H](C)C1	741458817	WPAVCXAWHIPTQC-GFCCVEGCSA-N	305.378	1.660	50	20	DDGD	
O=C1C[C@H](C(=O)NNC(=O)C2CCCC2)c2ccc(F)cc2N1	914844329	VOQVRAPIMONBDE-LBPRGKRZSA-N	319.336	1.589	50	20	DDGD	
O=C(NCc1nnc2n1CCC2)NNc1ccc(F)cc1Cl	913979030	IFDRCPINTWLPLF-UHFFFAOYSA-N	324.747	1.843	50	20	DDGD	
CCN1CCC(=NNC(=O)[C@@H](C)CN2CCCCC2)[C@H](C)C1	741454778	HLNUGLBUCKPMLD-CABCVRRESA-N	308.470	1.942	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1ccc(C)cc1OC	748257787	KSHNVSBFIJIRPA-CYBMUJFWSA-N	308.378	1.895	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)C1CC2(CCC2)C1	843755654	NYJWNCLDSALPMD-UHFFFAOYSA-N	312.373	1.984	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)C1	843752497	SPIJNCHFJJRKJN-LLVKDONJSA-N	312.329	1.207	50	20	DDGD	
O=C(NCC(F)(F)F)NN=Cc1cnc(N2CCCC2)nc1	917551183	GZDBKZJJNNZNAU-UHFFFAOYSA-N	316.287	1.272	50	20	DDGD	
C[C@H](CCCCN)NC(=O)NNC(=O)Cc1ccccc1F	841997494	LYICIEHERMELQO-LLVKDONJSA-N	310.373	1.216	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cc1ccc(F)cc1Cl	843654344	RBCLFBBQRUQDQH-LDYMZIIASA-N	314.744	1.594	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	841434977	LNDTYDIDAIMMNG-ZDUSSCGKSA-N	323.349	1.629	50	20	DDGD	
CCc1n[nH]cc1C(=O)NNC(=O)COc1ccc(C)cc1	917916346	JTBSECQZZMHSLP-UHFFFAOYSA-N	302.334	1.121	50	20	DDGD	
C=C[C@H](C)ONC(=O)NNC(=O)c1ccc(OC)c(OC)c1	845638087	CGTJFGILCDIXBZ-VIFPVBQESA-N	309.322	1.154	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc1	841438092	GDRRELIMAOIMIX-WDEREUQCSA-N	314.407	1.598	50	20	DDGD	
CC(=NNC(=O)NCC(F)(F)F)c1cc(C)c(O)c(O)c1	841619860	RMXBTQFUGNEUTN-UHFFFAOYSA-N	305.256	1.992	50	20	DDGD	
CC(=NNC(=O)c1ncccn1)c1nc2c(s1)CCCC2	841664596	ZFKYYCMONPRGJX-UHFFFAOYSA-N	301.375	1.966	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)COC(=O)CC2CCC2)cc1	745573027	MLRNSLLCENMJJH-UHFFFAOYSA-N	315.329	1.053	50	20	DDGD	
COc1cccc(/C(C)=C\C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1	843654903	SXVZCMKPEAFOOA-GMJFFQQASA-N	318.373	1.671	50	20	DDGD	
Cc1cc2ccccc2n1CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843640032	AOALCAVJSAHUCJ-TZMCWYRMSA-N	315.373	1.522	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)[C@H]1COc2ccccc2O1)c1ccco1	741515105	SAFQERXABNWVGE-QMTHXVAHSA-N	316.313	1.371	50	20	DDGD	
C[C@@H](CN)CNC(=O)NNc1ccc(F)cc1Br	841962606	LIJGCDRCPMUMMQ-ZETCQYMHSA-N	319.178	1.809	50	20	DDGD	
CCN[C@H](C)CNC(=O)NNC(=O)c1ccc(Cl)cc1F	841984166	JCTANKJWAMBECI-MRVPVSSYSA-N	316.764	1.421	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(C(F)(F)F)cn1	843645798	SASHLVQIAIMHPX-APPZFPTMSA-N	317.267	1.286	50	20	DDGD	
C[C@H]1CN(CC(=O)NNC(=O)C2CC2)[C@@H](c2ccccc2)CO1	744427922	AFWXMXZDXIGUCN-SWLSCSKDSA-N	317.389	1.006	50	20	DDGD	
NC(=O)c1ccc(CC(=O)NN=c2cc[nH]c3ccccc23)cc1	754217362	UBEILZQXPIZIHW-UHFFFAOYSA-N	320.352	1.441	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@@H](O)CC(C)(C)C)c1	858706460	TZNRJBHULBEHSL-JTQLQIEISA-N	313.423	1.798	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1cnc2ccccn12	755504280	JSWDWUZGUYBYGF-UHFFFAOYSA-N	324.340	1.872	50	20	DDGD	
CN1[C@H]2CC[C@H]1CC(NC(=O)NNc1ccc(Cl)cn1)C2	852372374	ZIDQWKODNCDYNB-RYUDHWBXSA-N	309.801	1.986	50	20	DDGD	
N#Cc1ccc(Br)c(NNC(=O)C2(C(N)=O)CC2)c1	855617045	QZCONVKVPXZYJL-UHFFFAOYSA-N	323.150	1.029	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ncc(Cl)cn2)[C@H]2CCCC[C@@H]2N1	857359060	PZGIHIGIBWPRRY-VWYCJHECSA-N	323.784	1.268	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCc2c(cccc2OC)C1	754973579	MNHWSUGSOHAJRV-UHFFFAOYSA-N	305.334	1.012	50	20	DDGD	
CCc1ccc(C(C)=NNC(=O)[C@H](C)CN2CCOCC2)o1	752163066	NQXWZIUQESAUGF-GFCCVEGCSA-N	307.394	1.651	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cnc([C@@H](C)O)s2)n1	857541519	VNFVBYFMLISDDN-RXMQYKEDSA-N	313.770	1.705	50	20	DDGD	
C[C@@H]1CC[C@H](CC(=O)OCC(=O)NNC(=O)c2cccs2)C1	759415419	AZKIJAZLKIANDN-MNOVXSKESA-N	324.402	1.879	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@@H](C)[C@H]1CCCN(C2CCC2)C1	754462869	GMKMBQAVUHVOBB-IHRRRGAJSA-N	324.469	1.175	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)c2cc3ccccc3cc2O)nn1	757408299	RAEQTGLYILQBLM-UHFFFAOYSA-N	323.312	1.191	50	20	DDGD	
O=C(NCC1CC2(C1)OCCO2)NNc1cccc(F)c1F	927082618	YERVMBSCOSHFMY-UHFFFAOYSA-N	313.304	1.744	50	20	DDGD	
CCCN1CC[C@H](NC(=O)NNC(=O)c2ccc(CC)cc2)C1	852631988	NNIYWTZODOIWLD-HNNXBMFYSA-N	318.421	1.677	50	20	DDGD	
CC1(CCC(=O)NNC(=O)c2ccc3c(c2)OCCO3)CC1	929585940	IVFKRZYZAXAAKA-UHFFFAOYSA-N	304.346	1.799	50	20	DDGD	
COCCCNC(=O)CN(C)C[C@@H](CBr)C1CC1	859071669	NZXPSHGWJJZHQM-GFCCVEGCSA-N	321.259	1.492	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)NCC1CC=CC1	858094339	OAPDQPQUJNPMOK-UHFFFAOYSA-N	319.361	1.371	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@@H](OC)C2CCCC2)nc1	852656100	HAEKDQISZOHLIO-CYBMUJFWSA-N	308.382	1.922	50	20	DDGD	
CCO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1cc(C)cs1	858526510	CWLXIBGUBCCDHE-GHMZBOCLSA-N	311.407	1.958	50	20	DDGD	
CC(C)(C)n1nnc(C=NNC(=O)c2cccc3ncccc23)n1	853304323	JFBYSMNCJDBLJN-UHFFFAOYSA-N	323.360	1.740	50	20	DDGD	
CCCOC(=O)CCNC(=O)NC[C@]1(C)C[C@H]1Br	856900234	VAGDXQRKQMGBKZ-SKDRFNHKSA-N	321.215	1.802	50	20	DDGD	
C#C[C@H](CC)NC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	854068943	OAVHIWJKHZCQRG-WDEREUQCSA-N	307.325	1.335	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@H](C)N(C)C)ccc1OC(C)C	750014980	MHNGLNAZHPZRQH-NSHDSACASA-N	323.393	1.194	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NC[C@@H]2CCOC[C@H]2C)c1	858451647	WUBXEPMVXMLHSU-MNOVXSKESA-N	311.407	1.673	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCC3(CCCC3=O)CC2)cn1	856017363	XEDWWVWQDLTABX-NTEUORMPSA-N	312.373	1.689	50	20	DDGD	
O=C(Cn1cc(C2CC2)cn1)NNC(=O)c1cccc(Cl)n1	857325101	SDHLNZNXBSRWFP-UHFFFAOYSA-N	319.752	1.270	50	20	DDGD	
COC(=O)NNC(=O)c1nn(C(C)(C)C)cc1Br	856756868	GXMANLYCZZULBP-UHFFFAOYSA-N	319.159	1.401	50	20	DDGD	
C=CC[C@@H]1CCCN(CC(=O)NNC(=O)c2ccccc2)C1	852408753	ABHZXCQVVMFHQT-CQSZACIVSA-N	301.390	1.736	50	20	DDGD	
COCCCOCCC(=O)NNC(=O)c1c[nH]c2ccccc12	854264081	VPONGXBYTGIEQT-UHFFFAOYSA-N	319.361	1.372	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H]1SCCc2sccc21	854924416	JASYKSGOYWPJIX-VIFPVBQESA-N	301.462	1.546	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@H]1CC2CCC1CC2	854284872	AUOOBTFYQIARRY-BPCQOVAHSA-N	313.467	1.687	50	20	DDGD	
CSCCNC(=S)NNC(=O)CCN1CCCCCC1	752735107	WDQMRVRFFZCTAF-UHFFFAOYSA-N	318.512	1.111	50	20	DDGD	
CC(C)N1C[C@@H](NC(=O)NNc2ccc(Cl)cn2)CC1=O	852190948	IOZXZHRDIFAARC-JTQLQIEISA-N	311.773	1.370	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)CCc2ccccc2)ncn1	757048576	YQEGSJJVQRTRJM-UHFFFAOYSA-N	313.361	1.248	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21	854479467	UJNPSOANQWJZBQ-IVZWLZJFSA-N	307.221	1.943	50	20	DDGD	
Cc1ccccc1[C@H](C)C(=O)NNC(=O)NCC(F)(F)F	935803188	VAVDKEPHMMQQSG-VIFPVBQESA-N	303.284	1.991	50	20	DDGD	
CCC(=O)NNC(=O)Nc1ccc(C)cc1OCCN(C)C	756674187	KZVIBHVRUVNBKP-UHFFFAOYSA-N	308.382	1.498	50	20	DDGD	
COC[C@@H](OC)C(=O)NNc1ccc(C#N)cc1C(F)(F)F	854336911	ROHPWEUXHRTOBI-LLVKDONJSA-N	317.267	1.682	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1cc(F)c(OC)cc1F	757673393	FTXAIMLAEAPQID-UHFFFAOYSA-N	303.265	1.163	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)Nc1ccon1	757858436	XACOPBFFQQOLFU-UHFFFAOYSA-N	322.346	1.628	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2cncs2)cc1C	767763879	PQFBMVDAYMJVPZ-UHFFFAOYSA-N	302.359	1.849	50	20	DDGD	
CC1(C)C[C@H](C(=O)NNC(=O)c2cn[nH]c2)c2ccccc2O1	862469565	OSRIISQCISQRPC-LBPRGKRZSA-N	314.345	1.516	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2cc3c(s2)CCC3)on1	763844170	WIORYTISBUSMBN-UHFFFAOYSA-N	307.331	1.308	50	20	DDGD	
Cc1c(C(=O)NN[C@H](C)C(F)(F)F)nnn1-c1ccccc1	862309745	OAZUZTNPIPLVNP-SECBINFHSA-N	313.283	1.761	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cc(Cl)cc(F)c1O	768355380	OUMNPLGYSCKWKI-UHFFFAOYSA-N	301.705	1.159	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCCCO[C@@H]1CCOC1	866950061	ZOECOIBBPRIHSN-LLVKDONJSA-N	313.847	1.366	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1[C@@H](C)CC[C@H]1C	763693070	CFIMQBCTAZZZEK-OKILXGFUSA-N	303.406	1.558	50	20	DDGD	
CCCOc1ccc(NC(=O)C(=O)NNc2cnccn2)cc1	766258883	OBRPEKBMPMGLCM-UHFFFAOYSA-N	315.333	1.347	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccccc1OC(F)F	768546787	MFYYJEJJLUWWSH-UHFFFAOYSA-N	302.281	1.986	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NNC(=O)c1c[nH]nc1C	767994855	SUAOXHSGXGIDCD-AAEUAGOBSA-N	308.382	1.465	50	20	DDGD	
C[C@H]1CCN(S(=O)(=O)CC(C)(C)CCl)CC[S@@]1=O	867191237	LVWPONJVWHLFQK-BTDLBPIBSA-N	315.888	1.424	50	20	DDGD	
CCc1nc(NC(=O)C(=O)NN=c2cc[nH]c(C)c2)sc1C	861960081	LIPDPRWEHWFJKU-UHFFFAOYSA-N	319.390	1.221	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)N[C@@H]1CCOC2(CCC2)C1	769190136	QYWXJYLYQWBBDC-CYBMUJFWSA-N	318.377	1.056	50	20	DDGD	
O=S(=O)(N[C@H]1C[C@@H](CO)C1)c1ccc(CCCCl)cc1	867585383	INCFKXYGGUHOQW-BETUJISGSA-N	317.838	1.907	50	20	DDGD	
CN1CCC(C#N)(NC(=O)[C@H](Br)C(C)(C)C)CC1	767980085	BIPBNGJSKOEGCV-JTQLQIEISA-N	316.243	1.900	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)c2c([N+](=O)[O-])c(C)nn2C)c1	862477109	GIZAMZLNXGPKKQ-UHFFFAOYSA-N	323.334	1.081	50	20	DDGD	
CCc1ccccc1CC(=O)NNC(=O)Cc1cc(C)[nH]n1	869016830	RPPWJQNVEUZPRO-UHFFFAOYSA-N	300.362	1.213	50	20	DDGD	
Cc1nn(CC(F)F)c(C)c1C(=O)NNC(=O)c1ccc[nH]1	760618347	BNARVQMPTPVGMJ-UHFFFAOYSA-N	311.292	1.168	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3cncnc3)n[nH]2)cc1	760801814	JDIGRRKLFBYWNW-UHFFFAOYSA-N	322.328	1.250	50	20	DDGD	
Cc1c(Cl)cccc1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1	860233401	NYMKZZFFIPRLKS-JTQLQIEISA-N	310.741	1.080	50	20	DDGD	
Cc1cc(C(=O)NN[C@H](C)C(F)(F)F)c2c(C)n[nH]c2n1	862308898	JCGFXMDVEGUYPT-SSDOTTSWSA-N	301.272	1.760	50	20	DDGD	
Cc1nn2c(C=NNC(=O)c3cccnc3)c(C)nc2s1	765541922	DPAFLVBSDAWSSU-UHFFFAOYSA-N	300.347	1.567	50	20	DDGD	
O=S(=O)(CCCCCl)NCc1cc2n(n1)CCCO2	867474919	LLDLATKGADGZCS-UHFFFAOYSA-N	307.803	1.104	50	20	DDGD	
C[C@@H](NNC(=O)CCOc1ccc(C(N)=O)cc1)C(F)(F)F	862310684	DCSWJWKPWQVASK-MRVPVSSYSA-N	319.283	1.126	50	20	DDGD	
CC1=NO[C@H](CNC(=O)NNC(=O)c2cccc(Cl)c2)C1	875981181	WMMNPNCSVTUYRG-NSHDSACASA-N	310.741	1.449	50	20	DDGD	
COc1cc(F)c(C(C)=NNC(=O)c2cnccn2)cc1OC	760238748	BLYIOMCCMPLOHC-UHFFFAOYSA-N	318.308	1.787	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1nc2cnccn2n1	1119432207	UIAJGQSFRAUYEF-UHFFFAOYSA-N	319.756	1.429	50	20	DDGD	
CCN1C[C@H](NC(=O)NNc2cccc(F)c2Cl)CC1=O	875643000	SIGKCGQIUXOVAY-MRVPVSSYSA-N	314.748	1.726	50	20	DDGD	
Cc1cc(=NNC(=O)NCCc2nc(C)c(C)s2)cc[nH]1	875385786	KFJQLJNOCVLALI-UHFFFAOYSA-N	305.407	1.754	50	20	DDGD	
C[C@@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)c1cccs1	770983683	PTEWRZPDHVIVDD-SSDOTTSWSA-N	318.362	1.377	50	20	DDGD	
CCNC(=O)NNC(=O)C1(CCOCc2ccccc2)CC1	771273043	LSFUPHLYQOUJAM-UHFFFAOYSA-N	305.378	1.724	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCCCN1C[C@@H](C)C[C@H](C)C1	875079938	BBENEWRDGVQWAX-STQMWFEESA-N	314.430	1.657	50	20	DDGD	
CC[C@](CC(=O)O)(C(=O)NNC(=O)C1CC1)c1ccc(C)cc1	872831439	ONXJAGNUFCABLG-QGZVFWFLSA-N	318.373	1.675	50	20	DDGD	
CCNC(=O)CC(=O)NNc1ccc(Br)c(F)c1	771675587	YPHGORRXVYCPSV-UHFFFAOYSA-N	318.146	1.558	50	20	DDGD	
C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NN(C)C(N)=O	778416129	ZPYBOAGWMLQISN-ZCFIWIBFSA-N	316.701	1.057	50	20	DDGD	
COCCOCC(=O)NN=Cc1cc(Cl)cc(F)c1O	872400969	AEIPFDKQYWNTER-UHFFFAOYSA-N	304.705	1.298	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc2cc(C)ccc2o1	772042995	PPCSCUYYODSEJX-JTQLQIEISA-N	318.329	1.844	50	20	DDGD	
COC(=O)c1c(F)cc(NC(=O)NN(C)C(=O)OC)cc1F	879504677	KWWAUPOEMZDKLI-UHFFFAOYSA-N	317.248	1.486	50	20	DDGD	
CN(CC(=O)NNC(=S)NCC1CCC1)Cc1ccccc1	1118775911	LNXYWMGVWWKSHU-UHFFFAOYSA-N	320.462	1.414	50	20	DDGD	
CCO/C=C\C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874953006	OTEFSLWVJCZOPM-KTKRTIGZSA-N	308.407	1.620	50	20	DDGD	
CCC(CC)n1nc(C)cc1C(=O)NNC(=O)NCC1CC1	775675898	NLRQLBGCNTYXCM-UHFFFAOYSA-N	307.398	1.907	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2ccccc2CC#N)c(O)c1	776971442	CGHIUPZRJXDTSA-UHFFFAOYSA-N	323.352	1.770	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C/Sc1ccccc1	771912616	RFVIXNUZKGTETB-PBQZMEPESA-N	322.386	1.782	50	20	DDGD	
C[C@@H](C1CC1)N(CC(=O)NNC(=O)c1cccs1)C1CC1	777558542	YUBDXXLLOITQJT-JTQLQIEISA-N	307.419	1.772	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(O)c(Cl)c1	771876691	XCIRQHKTAULXNW-ZETCQYMHSA-N	314.725	1.148	50	20	DDGD	
CC[C@@H](C)n1nc(C(=O)NNC(=O)Cc2ccncc2)cc1C	778023188	GXDMCFMXUYXKPA-LLVKDONJSA-N	315.377	1.561	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1sc(C(C)C)nc1C	779823074	JVGQDEXGEUZALV-UHFFFAOYSA-N	312.395	1.771	50	20	DDGD	
CN(C)[C@H]1Cc2ccccc2N(S(=O)(=O)CCCCl)C1	881877309	RVKOWPOMKNQSJH-ZDUSSCGKSA-N	316.854	1.938	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CCCC3(CC3)C2)c1	770699011	FOFPLULNLPTHND-UHFFFAOYSA-N	301.390	1.632	50	20	DDGD	
Cc1ccc2c(c1)CCN(C(=O)NNC(=O)c1cccnn1)C2	883852840	WWPCAPBQLPWWMM-UHFFFAOYSA-N	311.345	1.198	50	20	DDGD	
O=C(NNC(=O)c1cccnn1)N[C@@H]1CC[C@H]2CCC[C@@H]2C1	883466067	FHKCQNRPYZWXGK-IJLUTSLNSA-N	303.366	1.389	50	20	DDGD	
CN(C)C(=O)OC1CCN(S(=O)(=O)CCCCl)CC1	882222611	VAAALIOFFCXJBC-UHFFFAOYSA-N	312.819	1.108	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2c[nH]nc2-c2ccoc2)o1	789975202	CIPDTZQWNPVVLJ-UHFFFAOYSA-N	300.274	1.646	50	20	DDGD	
CCn1cccc(CNC(=O)NNc2ccc(Cl)nn2)c1=O	789292867	HIDFVZWJCAFUHZ-UHFFFAOYSA-N	322.756	1.138	50	20	DDGD	
O=C(NNc1ncncc1Cl)N[C@@H]1CCO[C@H](C2CC2)C1	781016830	QNCVXSLEXKBSRC-KOLCDFICSA-N	311.773	1.714	50	20	DDGD	
Cc1cccc2c1O[C@H](C(=O)NNC(=S)NC(C)(C)C)C2	899997922	AUBPQFKFNUADNT-NSHDSACASA-N	307.419	1.592	50	20	DDGD	
C[C@H](C(=O)N1CC=C(C#N)CC1)S(=O)(=O)c1ccc(F)cc1	780689628	JCRMLBNFIZJRLN-LLVKDONJSA-N	322.361	1.670	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc3nc(O)n(C)c3c2)n1	780771521	VFCTVCUBLQXJOE-UHFFFAOYSA-N	313.317	1.439	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1cnc(N2CCOCC2)s1	787763345	LWBOARFXJNLPST-KHPPLWFESA-N	322.390	1.040	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1C1CC1)c1cc2c(s1)CCC2	786650677	HLCJNLONOPYEAC-GFCCVEGCSA-N	319.430	1.625	50	20	DDGD	
COc1ccccc1C(=O)NN=C1CCC[C@H](S(C)(=O)=O)C1	788429810	NDAFNYMDSFPGCE-LBPRGKRZSA-N	324.402	1.768	50	20	DDGD	
COC(=O)[C@@H](Cc1ccc(F)cc1)NNC(=O)c1ccccn1	783575223	VMFLHTMYUDPCIN-CQSZACIVSA-N	317.320	1.239	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2ccnc(F)c2F)c1	792307587	PQXDVNPYGMBQRY-UHFFFAOYSA-N	307.256	1.903	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)c1occ2c1CCC2	796252568	FBGQJUDWEAYVRU-UHFFFAOYSA-N	316.313	1.314	50	20	DDGD	
COC1(CC(=O)NNC(=O)c2cc(Cl)ccc2O)CCC1	792212948	SVBSHFKGWNBAGE-UHFFFAOYSA-N	312.753	1.766	50	20	DDGD	
COc1ccccc1CCC(=O)NNC(=O)c1cccc(C)n1	794072097	JSFJIBUEVUUNHO-UHFFFAOYSA-N	313.357	1.792	50	20	DDGD	
COc1ccc(F)cc1CC(=O)NNc1nc2ccccn2n1	791253906	ZVKIUWGPYSLFMQ-UHFFFAOYSA-N	315.308	1.563	50	20	DDGD	
CCc1ccnc(CNC(=O)NNc2nc(C)cc(OC)n2)c1	798118479	AENPVCJLZGLALX-UHFFFAOYSA-N	316.365	1.577	50	20	DDGD	
C[C@H]1CC[C@@H](CNC(=O)NNC(=O)COc2ccccc2F)C1	792777004	MKYUWRZLUUBSBT-NWDGAFQWSA-N	323.368	1.971	50	20	DDGD	
C=CCN1CC[C@H](OC(=O)/C(C#N)=C/c2ccc(O)cc2)C1=O	798631027	FCAZQFAQJMDEAU-VOMSXAGXSA-N	312.325	1.629	50	20	DDGD	
COC(=O)c1ccc(C(=O)OC[C@H](C)CBr)[nH]1	796348385	ZUDOTGXLUUXHPL-SSDOTTSWSA-N	304.140	1.989	50	20	DDGD	
COc1cc(C(C)=NNC(=O)c2ccc(O)c(O)c2)ccn1	794555759	IPJOLVRBPZLAAS-UHFFFAOYSA-N	301.302	1.655	50	20	DDGD	
O=C(CCO)NN=Cc1csc(COc2ccccc2)n1	1319365646	VRKNPGQHQWVTQE-UHFFFAOYSA-N	305.359	1.555	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC(F)(F)C1)c1n[nH]c2c1CCCC2	1321073153	MALQXXBVCLWRLA-QMMMGPOBSA-N	312.320	1.485	50	20	DDGD	
COC(=O)C1(CNC(=O)NNc2ccc(C(C)(C)C)nn2)CC1	1325833338	GFVPSTMROCSAHI-UHFFFAOYSA-N	321.381	1.353	50	20	DDGD	
O=C(NNc1ccccn1)C(=O)Nc1nc2c(s1)CCC2	1320965442	VBGAJNVSFNSBBY-UHFFFAOYSA-N	303.347	1.109	50	20	DDGD	
Cc1ncc(C(=O)NNc2nncc(N)c2Cl)c(C(C)C)n1	1324009854	ZLTQDSJDZOETNX-UHFFFAOYSA-N	321.772	1.691	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(C)n1CC1CC1	1326347558	GDFNSRXSLYCCIO-JSGCOSHPSA-N	319.405	1.701	50	20	DDGD	
C/C(C=NNC(=O)C[N+](C)(C)C)=C/c1cccc([N+](=O)[O-])c1	1325010715	DQKWCPJZQFLYHN-DORQUVDNSA-O	305.358	1.806	50	20	DDGD	
Nc1cnnc(NNC(=O)NCCC2CC(F)(F)C2)c1Cl	1324902776	NHUKBHABOFXIJD-UHFFFAOYSA-N	320.731	1.774	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1ccccc1SC(F)(F)F	1321134969	CDDMCWBLGIAZCN-UHFFFAOYSA-N	323.296	1.834	50	20	DDGD	
CC[C@H](O)[C@H](C)C(=O)NNC(=O)c1cncn1-c1ccccc1	1332380922	VXIROCOKPFLTOM-FZMZJTMJSA-N	316.361	1.040	50	20	DDGD	
Cc1noc(C)c1C(C)(C)C(=O)NNc1nncc(N)c1Cl	1256440318	DZKGCIRSBFXEKT-UHFFFAOYSA-N	324.772	1.738	50	20	DDGD	
Cc1cc([C@H](C)NC(=O)NNC(=O)[C@H]2CCCCO2)c(C)o1	1348031375	CCPCEOBGKCIBES-GXFFZTMASA-N	309.366	1.857	50	20	DDGD	
C[C@]1(Cn2nnnc2N2CC[C@H](F)C2)C[C@@H]1Br	1344955465	KXHWNKNCEANRND-OYNCUSHFSA-N	304.167	1.395	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)N[C@@H]2CCCSC2)cc1	1602127564	RYCOMWORPMAEAD-GFCCVEGCSA-N	309.391	1.835	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1cc(C(=O)O)ccc1F	1608289248	VTWALYHINCUUFU-UHFFFAOYSA-N	323.202	1.629	50	20	DDGD	
C[C@@H](CC=NNC(=O)c1cnn(-c2ccccc2)c1)C(=O)O	1604130382	TZAVPPVLAQYSIX-NSHDSACASA-N	300.318	1.699	50	20	DDGD	
N#C/C(=C/c1ccc(/C=C/C(=O)O)o1)S(=O)(=O)NC1CC1	1601044947	FLIWRIBOWBKOFY-DFTQQVSXSA-N	308.315	1.324	50	20	DDGD	
Cn1nc(NC(=O)NNc2ccc(Cl)cn2)cc1C(=O)O	1608150569	CJFTWKCTSQONSL-UHFFFAOYSA-N	310.701	1.315	50	20	DDGD	
CC[C@H](C(=O)O)N(C)C(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	1603489173	UUDKRZRGUSMUQY-TZWLIRKLSA-N	314.345	1.434	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CC[C@H](C(=O)O)C2)c1	1605380889	DXPMAPWIOGREHL-DTWKUNHWSA-N	311.363	1.254	50	20	DDGD	
CCOC(C)(C)CNC(=O)NNc1ccc(F)c(C(=O)O)c1	1610025429	XURRNSVZTBSNIU-UHFFFAOYSA-N	313.329	1.965	50	20	DDGD	
O=C(NCC1(C(=O)O)CCCCC1)NNc1ccc(F)cn1	1610689182	FNMMFQPOPBEGFD-UHFFFAOYSA-N	310.329	1.882	50	20	DDGD	
CO[C@H]1C[C@@H]2CC(=NNC(=O)[C@@H]3CN4CCC[C@@H]4CO3)C[C@@H]2C1	1549312940	GCZOIVZBAOGJRY-IPQWEPCOSA-N	321.421	1.157	50	20	DDGD	
CN(C)c1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)s1	1549315182	LPRUPBWGJAQAME-AAEUAGOBSA-N	322.434	1.127	50	20	DDGD	
C[C@H](C=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)Cc1ccccc1	1549319735	JGVKPBSEFKHXLG-BHYGNILZSA-N	315.417	1.830	50	20	DDGD	
CN(C)c1ccc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)cc1	1549314261	HWLVCUAVPNNZDE-JKSUJKDBSA-N	316.405	1.066	50	20	DDGD	
CC[C@H](NC)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	1577172399	XRVXPOSWVJNZEE-SKDRFNHKSA-N	313.785	1.253	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CC3CC2(CN)C3)cc1	1578174045	MTRVJOKXCAXHBA-CHHVJCJISA-N	311.385	1.942	50	20	DDGD	
CCCc1ccc(CCCC(=O)NNC(=O)NCCN)cc1	1577609044	WMWXATNAEGMEOO-UHFFFAOYSA-N	306.410	1.251	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)[C@H](N)CCCC#N)c1ccccc1	1576938707	KQFWEQZTYIWRKB-UONOGXRCSA-N	302.378	1.349	50	20	DDGD	
O=C(CCNCC1CC1)NNc1ncccc1Br	1580538438	PTLCPGFJHNHWQM-UHFFFAOYSA-N	313.199	1.677	50	20	DDGD	
N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)NNC(=O)c1ccccc1Cl	1580412357	XFCKUURKPXGCHB-NGERZBJRSA-N	307.781	1.474	50	20	DDGD	
CC(C)[C@@]1(C)C[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1589490531	KMWJPSYFKCXWDB-QMTHXVAHSA-N	301.354	1.387	50	20	DDGD	
CC(C)CC(=O)NN=Cc1cc(-c2nn[nH]n2)ccc1N(C)C	1589536191	DMVDANMNRMOCOX-UHFFFAOYSA-N	315.381	1.429	50	20	DDGD	
C[C@]1(COC(=O)Cn2ccc(C(=O)O)n2)C[C@@H]1Br	1594036526	IBGZUHLXDCYPEA-GZMMTYOYSA-N	317.139	1.298	50	20	DDGD	
CSCCCCNC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1591698390	BRXXBEOHWCKMNH-UHFFFAOYSA-N	322.398	1.031	50	20	DDGD	
Cc1cocc1C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1592309727	FASDXNJFOQSDQM-UHFFFAOYSA-N	317.309	1.636	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@]1(C(=O)O)C[C@H]1c1ccccc1	1590232646	JMWDLNTWADBMCM-ZBEGNZNMSA-N	320.345	1.801	50	20	DDGD	
CNc1ncc(C(=O)NNc2cccc(C(=O)O)c2C)s1	1598681720	XLTMIKNGIVBHJV-UHFFFAOYSA-N	306.347	1.948	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1coc(-c2nn[nH]n2)c1	1593161084	INRVTCAIYBQFIB-UHFFFAOYSA-N	324.222	1.634	50	20	DDGD	
C/C=C(\C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl	1793112824	UKDRYXDOHJFGLC-XBKOGLAMSA-N	314.813	1.191	50	20	DDGD	
CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](O)CCl)CC1	1793109834	HVWCEUULRADCAM-USZNOCQGSA-N	314.813	1.024	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cccc(Cl)c1F	150906229	JQQZNWUGEOYBFP-UHFFFAOYSA-N	303.721	1.460	50	20	DDGD	
Cn1cccc(NC(=O)NNc2ccccc2[N+](=O)[O-])c1=O	160757350	UKLADMOTJLGUPX-UHFFFAOYSA-N	303.278	1.442	50	20	DDGD	
C[C@H](CNC(=O)NNc1cccc(C#N)c1)CC1(C)OCCO1	152931858	FHVSCTNQSLOHAW-LBPRGKRZSA-N	318.377	1.974	50	20	DDGD	
N#Cc1ccc(NNC(=O)CNC(=O)COc2ccccc2)cc1	155398924	RJQKDJQCRALDQT-UHFFFAOYSA-N	324.340	1.197	50	20	DDGD	
C[C@H](CC1CCCCC1)C(=O)NNc1ccc(C(N)=O)nn1	154421025	STZMDJKEVNNZPS-SNVBAGLBSA-N	305.382	1.625	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1	159009638	URFHUZXEIXGIHN-KECPUOCWSA-N	305.378	1.195	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCCc1ccccc1	9961779	ODTSUNBPEKWUIG-UHFFFAOYSA-N	315.348	1.941	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ccccc2[N+](=O)[O-])cc1	23137890	ILNVHSFLRMPDKJ-UHFFFAOYSA-N	300.274	1.451	50	20	DDGD	
CNC(=O)NNC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1	56371087	LOZMKIKWLLUFGM-UHFFFAOYSA-N	320.393	1.064	50	20	DDGD	
C=C(Br)CNC(=O)NNc1nccc(OC)n1	69243931	QFVXZXGAQZARJW-UHFFFAOYSA-N	302.132	1.020	50	20	DDGD	
NC(=O)[C@H](NNC(=O)c1cccc(Cl)c1)c1ccc(F)cc1	171119422	GCGFNZCATUVKBC-CYBMUJFWSA-N	321.739	1.940	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2c[nH]nc2C)c1[N+](=O)[O-]	109859285	LLBFZVQTNVQAKC-UHFFFAOYSA-N	303.278	1.010	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2cccc(OC(F)F)c2)cn1	103111796	RLYUYIQNGSGNDZ-UHFFFAOYSA-N	310.260	1.096	50	20	DDGD	
O=C(CCc1cccnc1)NNC(=O)c1cc(Cl)ccc1O	10625061	YWMDWRAWSFNWOQ-UHFFFAOYSA-N	319.748	1.834	50	20	DDGD	
Cc1cncc(C(=O)NNC(=O)c2cc(Cl)ccc2O)c1	175107081	FNSJQKUQBCRQMW-UHFFFAOYSA-N	305.721	1.824	50	20	DDGD	
CCNC(=O)NNC(=O)COc1ccc(C(F)(F)F)cc1	65189574	QNDZEUKMPJXMBF-UHFFFAOYSA-N	305.256	1.435	50	20	DDGD	
CN(C)CC[C@@H](NC(=O)NNC(=O)c1ccc[nH]1)C(C)(C)C	116566646	VCZSGSWIWDKWJE-GFCCVEGCSA-N	309.414	1.325	50	20	DDGD	
CCC[C@@H](C)N1C[C@@H](C(=O)NNC(=O)c2ccc(C)o2)CC1=O	176213568	RTOZTYZLXAXSNG-PWSUYJOCSA-N	321.377	1.386	50	20	DDGD	
Cc1ccc2c(c1)N(C(=O)C(=O)NNc1ccc(C#N)cc1)CC2	119652292	HDDRJGGFUPXURZ-UHFFFAOYSA-N	320.352	1.899	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cccn2C)c1[N+](=O)[O-]	302901820	VJJTVHCKCRKPRK-UHFFFAOYSA-N	302.290	1.317	50	20	DDGD	
CC(C)C(=O)Nc1nc(CC(=O)NNc2cnccn2)cs1	114877247	BIOUUDHTUJDBEF-UHFFFAOYSA-N	320.378	1.213	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)/C=C/C1CCOCC1	112177485	QIUFUYNDJZSSHN-VOTSOKGWSA-N	304.346	1.439	50	20	DDGD	
CCCc1cc(C(=O)NNC(=O)c2ccc(C)cc2O)[nH]n1	174949598	RFOICJDOANHCBR-UHFFFAOYSA-N	302.334	1.451	50	20	DDGD	
COCCOc1ccc(C(=O)NNC(=O)CC(C)(C)C)cc1	171870131	DLJZEKTYHBJPCG-UHFFFAOYSA-N	308.378	1.909	50	20	DDGD	
COc1ccc([C@@H]2CCN(CC(=O)NNC(=O)C3CC3)C2)cc1	112979186	YOULAJUUCIWXIG-CQSZACIVSA-N	317.389	1.042	50	20	DDGD	
O=C(CN1CCCCCC1=O)NNc1cc(F)c(F)c(F)c1	175500743	NVEXTPPQCSIGDL-UHFFFAOYSA-N	315.295	1.950	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](C(=O)NNC(=O)c2ccc(Cl)nc2)C1(C)C	128615270	JLWWEEVUCVHEHY-WDEREUQCSA-N	323.780	1.747	50	20	DDGD	
C=CCNC(=S)NNC(=O)/C=C(\C)c1ccccc1OC	67193314	SZOIYJPYQKIOMI-ZHACJKMWSA-N	305.403	1.780	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2ccnc(F)c2F)c1	188799889	YVCCPONVIUBGJM-UHFFFAOYSA-N	320.299	1.501	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cccc(F)c1Cl	79806038	ADJBFPUTQXVIPS-UHFFFAOYSA-N	301.705	1.166	50	20	DDGD	
CN(C)N(C(=O)CCCC1CCCC1)[C@@H]1CCS(=O)(=O)C1	74235782	AJHSVNYQOQPLAL-CQSZACIVSA-N	316.467	1.839	50	20	DDGD	
CC(C)(C)n1cc(NC(=O)NNC(=O)c2ccncc2)cn1	186244740	OEJJLDCJDGYUDF-UHFFFAOYSA-N	302.338	1.500	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Nc1cc(F)c(F)c(F)c1	186046204	MCAQOEWLCQUAQN-UHFFFAOYSA-N	312.251	1.909	50	20	DDGD	
Cc1cccc(C)c1NC(=O)C(=O)NNc1cncc(Cl)n1	128222719	HAKZOHPLDKVOIM-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
O=C(NCCN1C(=O)CCC1=O)NNc1ccccc1Cl	73219694	AUKRIBUSTSIGEE-UHFFFAOYSA-N	310.741	1.115	50	20	DDGD	
Cc1cc(NNC(=O)COc2cccc([N+](=O)[O-])c2)nc(C)n1	128867273	GXJJTJMCHSYLRU-UHFFFAOYSA-N	317.305	1.524	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)COCc2ccccc2)s1	78192129	ZNFDRLPHELNEHH-UHFFFAOYSA-N	319.386	1.738	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C1(Cc2ccccc2F)CC1	188182186	HTCBEMQWESRQJT-UHFFFAOYSA-N	315.348	1.948	50	20	DDGD	
CC1(C)CCN(CC(=O)NNC(=O)c2ccccc2Cl)C1	72827295	FWCCZULEZLJGAJ-UHFFFAOYSA-N	309.797	1.833	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(F)c(NC(C)=O)c1	183515922	DUYAGXFVUHXSJC-MRVPVSSYSA-N	310.329	1.983	50	20	DDGD	
COC(=O)[C@@H](O)C1CCN(C[C@H](C)CBr)CC1	134037484	FROLZHJTOTUCQA-KOLCDFICSA-N	308.216	1.263	50	20	DDGD	
CC(=O)CCC(=O)NNC(=O)c1cc(-c2ccc(C)cc2)n[nH]1	193514857	OOXORRRSDDXFOW-UHFFFAOYSA-N	314.345	1.515	50	20	DDGD	
O=C(CCn1cccn1)NNC(=O)C12CC3CC(CC(C3)C1)C2	47667064	PQXIWBJXNOZXRA-UHFFFAOYSA-N	316.405	1.637	50	20	DDGD	
O=C(NNC(=O)c1ncccc1Br)c1ccncc1	194967189	LZSIXMSZNDCYHO-UHFFFAOYSA-N	321.134	1.314	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1ccc(Br)o1	81026842	PNSOXRBMDYDLKW-UHFFFAOYSA-N	324.134	1.441	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(N2CCNC2=O)cc1	193653932	OQSLIAHVMOGYMI-UHFFFAOYSA-N	304.350	1.023	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2ccc(F)cc2C)ncn1	190131298	NIEPOVQYAFZPGY-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C[C@H]2CCCCO2)c(C)c1	88281746	ABLWHOIWGYXVGO-CQSZACIVSA-N	319.405	1.822	50	20	DDGD	
Cc1ccc(-c2nc(CC(=O)NNC(=O)N(C)C)cs2)o1	194918964	QBIFMNKNSANRBT-UHFFFAOYSA-N	308.363	1.556	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(Br)c2)[nH]n1	80965904	PPLNHUPYKOEOQQ-UHFFFAOYSA-N	323.150	1.555	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2noc3c2CCCC3)cc1	142374841	XMOVYHSVCPDJFC-UHFFFAOYSA-N	310.313	1.500	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12	247658769	XNQGBCIKXHDPJK-GVARAGBVSA-N	317.364	1.743	50	20	DDGD	
O=C(NN=Cc1cccs1)C(=O)NN=Cc1cccs1	254757672	GIISNKIPACLDIF-UHFFFAOYSA-N	306.372	1.410	50	20	DDGD	
COC(=O)N[C@H](C(=O)NNc1ccc([N+](=O)[O-])cc1)C(C)C	269020085	JQPJJWVHFZFQRI-NSHDSACASA-N	310.310	1.419	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCC(C)(C)C[C@H](C)O)n1	267002099	YNCWTPJJMARZSD-JTQLQIEISA-N	311.386	1.217	50	20	DDGD	
O=C(NNC(=O)C(=O)Nc1ccccn1)NC1CCCCCC1	268338720	XPGZJJGJEQKECC-UHFFFAOYSA-N	319.365	1.073	50	20	DDGD	
CC(C)(CO)CCCNC(=O)NNC(=O)c1ccccc1O	267948917	SVDLUAXQHXNSHR-UHFFFAOYSA-N	309.366	1.135	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)COc2ccccc2O)CC1	267642758	UFDGMUBCOUXPHH-UHFFFAOYSA-N	307.350	1.292	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)NC[C@H]1CC=CCC1	264533199	YXFSTSVHUIHTPB-LBPRGKRZSA-N	319.361	1.458	50	20	DDGD	
C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NNc1cccc([N+](=O)[O-])c1	268150326	MKVBLKQEFWCRDS-IINYFYTJSA-N	319.365	1.704	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](C)OCc1cccc(OC)c1	271339383	JIOGJLXRACEQHR-NSHDSACASA-N	309.366	1.293	50	20	DDGD	
O=C(CCOCC(F)(F)C(F)F)NNC(=O)c1ccccn1	276701737	OXPMFGDMGSOQQW-UHFFFAOYSA-N	323.246	1.150	50	20	DDGD	
Cc1ccc(N2CCC(C(=O)NNC(=O)NC3CC3)CC2)nc1	363065171	UFMBWBRXNAXFOS-UHFFFAOYSA-N	317.393	1.099	50	20	DDGD	
N#CC1=CCN(C(=O)CCNC(=O)c2[nH]nc3ccccc23)CC1	272666122	IYNBIPBSDAPXGE-UHFFFAOYSA-N	323.356	1.365	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@H]1C[C@]12CCOC2	368481556	HRJIZCYVOCXPEK-ABAIWWIYSA-N	324.764	1.536	50	20	DDGD	
Cn1c(=O)c2ccccc2n2c(CN3CC=C(C#N)CC3)nnc12	272642211	LSXDYYLFHFMYOV-UHFFFAOYSA-N	320.356	1.237	50	20	DDGD	
Cc1ccc(C(N)=O)cc1NC(=O)NNC(=O)OC(C)(C)C	272318556	HWMGNWRBDIGHPW-UHFFFAOYSA-N	308.338	1.655	50	20	DDGD	
CCc1ccc(S(C)(=O)=O)cc1C(=O)N1CC=C(C#N)CC1	272703811	VGUFYLNUAZLJCR-UHFFFAOYSA-N	318.398	1.948	50	20	DDGD	
CN(CC(=O)NNC(=O)C(C)(C)C)C(=O)OCc1ccccc1	277041380	HFMDDFZJWUPKTE-UHFFFAOYSA-N	321.377	1.449	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1	274302913	RATJDNZQLJCPCA-UHFFFAOYSA-N	307.350	1.350	50	20	DDGD	
CC(C)Oc1ccc(NC(=O)NNC(=O)CN(C)C)cc1C#N	274795326	DAKBEQZHPJIPAL-UHFFFAOYSA-N	319.365	1.060	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1)C1CC1	279279625	WNANFZHTOREENK-NSHDSACASA-N	309.272	1.015	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@@H]2CCC(F)(F)C2)n1	280711896	MKUJVGHTZVSGLS-SECBINFHSA-N	315.324	1.855	50	20	DDGD	
CCOC[C@H](NCC(=O)NNC(=O)c1ccccc1)C(C)C	286361539	YGMRMVTUKRCTCD-AWEZNQCLSA-N	307.394	1.098	50	20	DDGD	
COCCN(C)NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl	288549997	PJCYLYOVEDABQP-SECBINFHSA-N	304.749	1.856	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@@H](c1ccccc1)N1CCCCC1=O	286520314	XMWXMMACVXXHHY-CQSZACIVSA-N	319.361	1.470	50	20	DDGD	
CC(C)c1[nH]nc(C(=O)NNc2ncccc2F)c1[N+](=O)[O-]	285922330	JADCHWKHEFLOLN-UHFFFAOYSA-N	308.273	1.732	50	20	DDGD	
O=C(Cc1ccc(Cl)s1)NNC(=O)N1CCOCC1	283104073	GSGIBXSKBAOKQY-UHFFFAOYSA-N	303.771	1.017	50	20	DDGD	
CSSCCNC(=O)C(=O)N1CCc2c(F)cccc21	285114092	HSURPFHXEJLHLF-UHFFFAOYSA-N	314.407	1.842	50	20	DDGD	
COCCc1ccnc(NC(=O)NNc2nccnc2OC)c1	287336040	MTGIAQXNNYXSGV-UHFFFAOYSA-N	318.337	1.218	50	20	DDGD	
CSSCCNC(=O)[C@H]1CN(C)C(=O)c2ccccc21	375203889	FCWZFTPCYXBVCC-LBPRGKRZSA-N	310.444	1.983	50	20	DDGD	
COCC1(CNC(=O)NNC(=O)c2cccc(C)n2)CCC1	283596599	SLKRZZZSIJQMTF-UHFFFAOYSA-N	306.366	1.151	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@@H]1CCOc2ccccc21	281196148	KSHGOYWSQJJJEA-SECBINFHSA-N	317.267	1.445	50	20	DDGD	
CC(C)(C)[C@H](NC(N)=O)C(=O)NNc1cccc([N+](=O)[O-])c1	298091992	KHTAVUBRSHYVAZ-SNVBAGLBSA-N	309.326	1.121	50	20	DDGD	
CO[C@](C)(CNC(=O)NNC(=O)c1ccccc1F)C1CC1	291232235	MLRWMFQZLYTGMD-OAHLLOKOSA-N	309.341	1.585	50	20	DDGD	
CCC[C@H]1CCC[C@@H]1C(=O)NNC(=O)CNC(=O)c1ccco1	294494926	JGSQWVOQSZKSTN-RYUDHWBXSA-N	321.377	1.373	50	20	DDGD	
CC(=O)c1cccc(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	292928018	YLEKZCXSBVKLFY-ZANVPECISA-N	305.334	1.609	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cnc2[nH]cnc2c1	805379606	JMBXFJTZXHRGHA-UHFFFAOYSA-N	312.289	1.931	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2nccnc2C2CCC2)CC1=O	805462323	GHFHEFPAUJJGBB-NSHDSACASA-N	303.366	1.056	50	20	DDGD	
COc1ccc(NNC(=O)NCc2cnn3ccccc23)nc1	805782534	MZKQFWPXTHUDCY-UHFFFAOYSA-N	312.333	1.564	50	20	DDGD	
Cc1ccc(C[C@H](C)C(=O)NNC(=O)[C@@H]2CCCCO2)cc1	295369557	JXFOMBLCKNJCPH-ZFWWWQNUSA-N	304.390	1.890	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)C2[C@H]3CCC[C@H]23)cc1	291324113	UXWQLPJJKKUMRO-STQMWFEESA-N	323.418	1.426	50	20	DDGD	
Cn1ccnc(NNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)c1=O	806998098	QWIZUDQSHQYWJR-RWMBFGLXSA-N	304.394	1.830	50	20	DDGD	
C[S@@](=O)Cc1ccc(CNC(=O)NNc2ccccn2)cc1	805866216	QWXCBSBTLQMFAO-JOCHJYFZSA-N	318.402	1.786	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2cccnc2OC)cc1	802055542	LMEVXDQDKJAQSY-UHFFFAOYSA-N	316.317	1.565	50	20	DDGD	
O=C(CCc1ccccc1Cl)NNC(=O)N=c1cc[nH]cc1	802026869	ZQOKXQTUPTULEF-UHFFFAOYSA-N	318.764	1.942	50	20	DDGD	
CO[C@@](C)(CNC(=O)NNC(=O)c1ccccc1C)C1CC1	291747528	KIIZZMMIIDCWKD-INIZCTEOSA-N	305.378	1.754	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCSC1)c1ccc2c(c1)OCCO2	809986851	MOCIYMCZRQOSHR-LLVKDONJSA-N	322.386	1.362	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NCCC1(OC)CCC1	296572823	HKNBIMLVYFPLCD-UHFFFAOYSA-N	321.377	1.598	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2cnc(C3OCCO3)s2)cc1	807118578	LWLOIEHBUCISBY-UHFFFAOYSA-N	316.342	1.817	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1nc(N(C)C)n[nH]1	804281772	WLOIZFGYIGPKLP-UHFFFAOYSA-N	311.777	1.175	50	20	DDGD	
Cc1nc(C(C)C)oc1C(=O)NNc1cc(Cl)nc(N)n1	293544028	SIFHMMGBCZWDPU-UHFFFAOYSA-N	310.745	1.889	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)c2cc[nH]n2)c1	802115760	FDSBOPGLVDADPW-UHFFFAOYSA-N	309.713	1.538	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)OC	811968230	FLJSLSHFRFXITA-DLUQRMLASA-N	323.437	1.958	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1nc2c(s1)CCC2	814826921	MZOWZWQTSFUAJE-UHFFFAOYSA-N	318.358	1.105	50	20	DDGD	
Cc1ccc(-n2cc(C(=O)NNc3ncncc3F)nn2)cc1	817083621	PHGLUYIRWYLQBW-UHFFFAOYSA-N	313.296	1.262	50	20	DDGD	
CCCCNC(=O)NN=C1CCC(CS(C)(=O)=O)CC1	814817054	ILDZQYFGPZHJCX-UHFFFAOYSA-N	303.428	1.677	50	20	DDGD	
Cc1nc(-c2ccsc2)ccc1C(=O)NNc1nc[nH]n1	816631583	WUBJGMRKQDXJHC-UHFFFAOYSA-N	300.347	1.994	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)c1cnn2c1OCCC2	815969549	YRSOOUUZHAIVNL-UHFFFAOYSA-N	309.329	1.971	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc3c(c2)CCCC3=O)n1	816545254	JPWRNQVNGJPZLT-UHFFFAOYSA-N	323.352	1.984	50	20	DDGD	
C[C@@H]1C(=NNC(=O)c2cnn(C)c2)CC[C@H](C(=O)O)C1(C)C	814852471	ZZYXAMLVNBDJFB-MWLCHTKSSA-N	306.366	1.663	50	20	DDGD	
O=C(NNc1ncncc1F)C1(c2cccnc2)CCCC1	817083781	SMJVBYVJSRBZJP-UHFFFAOYSA-N	301.325	1.966	50	20	DDGD	
Cc1c(C(=O)NNc2ncncc2F)cnn1-c1ccccc1	817081780	CONGXNNLMAMSLJ-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
Cc1cc(C)n2nc(C(=O)NNc3cccc(Cl)n3)nc2n1	817008368	PPXCXADXQZOCGQ-UHFFFAOYSA-N	317.740	1.546	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=C1CC[C@H](C(=O)O)[C@H](C)C1	814794359	DWJIHDZHWDUWGB-MUWHJKNJSA-N	310.379	1.640	50	20	DDGD	
Cc1c(C(=O)NNc2cnnn2C)[nH]c2c1C(=O)CC(C)(C)C2	816771419	LYBUZDWNIQQXJO-UHFFFAOYSA-N	316.365	1.364	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)CC(F)(F)F)NC(=O)C1CCCC1	727165091	ZZUYANHJQAVKPU-QMMMGPOBSA-N	323.315	1.171	50	20	DDGD	
Nc1cc(C(=O)NNC(=O)NCc2ccco2)cc(Cl)n1	726769942	GXCKELJLBVQMHK-UHFFFAOYSA-N	309.713	1.054	50	20	DDGD	
O=C(C[C@@H]1CC[C@@H]2C[C@@H]12)NNC(=O)[C@@H]1COc2ccccc2O1	822192277	HHWMLKMKLKOBDW-ZAZJYDDPSA-N	316.357	1.410	50	20	DDGD	
CC[C@@H](C)CC(=O)NNC(=O)CCNC(=O)OC(C)(C)C	496004482	JWQRPFXEWLCTSQ-SNVBAGLBSA-N	301.387	1.485	50	20	DDGD	
Cc1ccc([C@H](C)NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)s1	825890420	DAMJLRTWGZQWPQ-HBNTYKKESA-N	311.407	1.873	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1cccnc1	824039369	FAPRCYMEKOZKJF-JTQLQIEISA-N	309.333	1.509	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc([N+](=O)[O-])c2cccnc12	494043730	IWTSQWPRKSORNP-UHFFFAOYSA-N	304.262	1.534	50	20	DDGD	
CC(=O)NNC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1	497074078	RJEVATNFWHTYDY-UHFFFAOYSA-N	308.338	1.138	50	20	DDGD	
Cc1cc(C)c(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(C)c1	825807324	BSRDWUYSAXMWQR-KBPBESRZSA-N	319.405	1.867	50	20	DDGD	
C=CCOc1ccc(CC(=O)NNC(=O)NCCCC)cc1	822777902	WRCXRBYXSUTKDC-UHFFFAOYSA-N	305.378	1.924	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNC(=O)Cc1ccccc1OC	491713909	FBALBUKNBCFCMA-ZDUSSCGKSA-N	303.362	1.370	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1cc(O)n(C)n1)c1ccccc1	827185437	SDCFBZQZTSHKQW-NSHDSACASA-N	302.334	1.081	50	20	DDGD	
CCCC(=O)Nc1ccc(O)c(C(C)=NNC(=O)CN(C)C)c1	727649143	DMSIFGSNZAAVQZ-UHFFFAOYSA-N	320.393	1.533	50	20	DDGD	
C[C@@H](NCc1ccc(B(O)O)cc1)[C@H]1OCCc2sccc21	585043523	QLNFNXWXAJZATF-BDJLRTHQSA-N	317.219	1.220	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)CCc1ccon1	825743940	BZPWXXFZMXICJO-UHFFFAOYSA-N	301.346	1.778	50	20	DDGD	
C/C=C(/C=C/C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1)CC	493795294	USCFMVGFQWIONG-OFFIWVMYSA-N	315.373	1.993	50	20	DDGD	
C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1cc(B(O)O)ccc1F	584961361	QXHMEVKMKXUXPP-IINYFYTJSA-N	307.174	1.450	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)C[C@@]1(C)CC1(Cl)Cl	823176165	PFHBEPJJXXJEQG-JTQLQIEISA-N	305.165	1.453	50	20	DDGD	
C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1ccc(B(O)O)cc1	584989496	FHFMMBBCIGGCFI-JSGCOSHPSA-N	303.211	1.653	50	20	DDGD	
C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2ccc(B(O)O)cc2)o1	584926898	GBSUGRZFYOTQQY-ABAIWWIYSA-N	313.162	1.355	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@H]1C1CCCC1	584934524	UHSRYXDDSAZBBB-HNNXBMFYSA-N	305.158	1.300	50	20	DDGD	
Cn1c(=NNC(=O)[C@H]2C[C@@]23CCNC3)sc2ccccc21	826619280	YKLXDWLYBXQYRT-MEBBXXQBSA-N	302.403	1.171	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=S)NCCc2cccs2)C1	820165079	ORYYPPHUDCPEML-VIFPVBQESA-N	311.432	1.155	50	20	DDGD	
CC(C)(C)[C@@H](NC(=O)NNC(=O)c1cc[nH]n1)C(F)(F)F	822713817	XVRVPTKQILWUAU-MRVPVSSYSA-N	307.276	1.331	50	20	DDGD	
CCCCC[C@H](O)C(=O)NNC(=O)c1cccc2ncccc12	823161114	ADZZDHSRLMVCTM-HNNXBMFYSA-N	315.373	1.937	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC(C)(C)c1ccccc1OC	731284508	XOVKRQLJHGCXTR-UHFFFAOYSA-N	323.393	1.340	50	20	DDGD	
COC(=O)[C@](C)(CO)NC(=O)CCCC[C@H]1CCSS1	909580760	QMNXZPGVTZMQKG-GWCFXTLKSA-N	321.464	1.741	50	20	DDGD	
CCS(=O)(=O)CCN(C)C(=O)[C@@]1(C)C[C@H]1Br	907151671	WVPFOCAVJFZMIW-SCZZXKLOSA-N	312.229	1.053	50	20	DDGD	
C[C@@H]1C[C@@H]1[C@@H](NCc1ccc(B(O)O)cc1F)c1ccccc1	585023974	RIKDOJWXCNTJQK-PUECVXPYSA-N	313.181	1.992	50	20	DDGD	
COCC(CC(C)C)=NNC(=O)c1ccc(-n2cnnn2)cc1	730726705	CFGRKJPJIUWWRQ-UHFFFAOYSA-N	316.365	1.441	50	20	DDGD	
COc1ccccc1C[C@@H](C)CC(=O)NNC(=O)NC1CC1	730532828	RYIQQWNUNQWKPI-LLVKDONJSA-N	305.378	1.757	50	20	DDGD	
CC(C)c1ccc(NNC(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)cc1	837053318	RJMCFABLGZVNQZ-ABAIWWIYSA-N	319.405	1.529	50	20	DDGD	
CCCCN(C)CCNC(=O)NNC(=O)c1ccccc1F	732891908	LHXCBPPSMZDBDE-UHFFFAOYSA-N	310.373	1.502	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1cccc(C(=O)CC)c1	493880411	OTSBTRNLMBULFH-UHFFFAOYSA-N	300.336	1.219	50	20	DDGD	
CC[C@@H]1C[C@@H](Cc2nc(-c3cccc(B(O)O)c3)no2)CCO1	585053207	IGGRSGQTPOPHGD-SMDDNHRTSA-N	316.166	1.164	50	20	DDGD	
O=C(NNc1ncncc1Cl)[C@]1(Cl)C[C@H]2CC[C@H]1O2	907602421	IXDGNPRTYAGNHL-HLEGCSNESA-N	303.149	1.502	50	20	DDGD	
COC[C@@H](C)CNC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836280489	ZPRFFLSIGQEDTK-VIFPVBQESA-N	324.337	1.034	50	20	DDGD	
CN(C)c1nc(Cl)c(C(=O)NNC(=O)CC2CC2)s1	832913241	YXFCUPFIXNZFFU-UHFFFAOYSA-N	302.787	1.424	50	20	DDGD	
C[C@@H]1CCCC[C@H]1N1CCC(=NNC(=O)C(=O)NC2CC2)CC1	733906764	GIKBIEWXICQWHF-IUODEOHRSA-N	320.437	1.412	50	20	DDGD	
C[C@@H](N)C[C@@H](C)NC(=O)NNC(=O)c1ccc(Cl)cc1F	831212124	LYHJQVQFTYREGX-HTQZYQBOSA-N	316.764	1.549	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCSc2ccccc21)[C@@H]1CCCCO1	833246953	VPQQZNRLKKTWLD-STQMWFEESA-N	320.414	1.983	50	20	DDGD	
N#C[C@]1(c2nc(-c3ccc(B(O)O)cc3)no2)CC12CCCC2	585055340	XFWQZILSBHFMCY-INIZCTEOSA-N	309.134	1.142	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)OCC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cn1	837971949	RZTOPQLSUKWORU-IFJYYDTDSA-N	313.357	1.876	50	20	DDGD	
O=C(O)[C@@H](F)CNS(=O)(=O)c1ccc(CCCCl)cc1	906005471	RGUFVLOIJYIEBV-NSHDSACASA-N	323.773	1.559	50	20	DDGD	
C[C@@H](O)C[C@@H](CNCc1ccc(B(O)O)cc1)c1ccccc1	585027904	AKXMEXLXPAPEHB-PBHICJAKSA-N	313.206	1.011	50	20	DDGD	
Cn1cc(/C=C/C(=O)NNc2nc(-c3cccnc3)no2)cn1	732110605	GLRKJAYUHUTRCP-SNAWJCMRSA-N	311.305	1.022	50	20	DDGD	
C[C@@H](Cc1cnn(C)c1)C(=O)NNc1cnc2ccccc2n1	837532292	LXVYXMSDEJEHPP-NSHDSACASA-N	310.361	1.685	50	20	DDGD	
Cn1nnc2cc(C=NNC(=O)c3ccc4c(c3)OCO4)ccc21	737417975	OYGZSLKYKUIZAK-UHFFFAOYSA-N	323.312	1.461	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	736144405	CMMSZTAYEQITCE-UHFFFAOYSA-N	310.262	1.113	50	20	DDGD	
CN(NC(=O)Cc1ccc2c(c1)NC(=O)C2)C(=O)OC(C)(C)C	838372377	QYLBWCPOLXAADV-UHFFFAOYSA-N	319.361	1.622	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)COCC1CCCC1	836554701	QDMOYZWXCWVFBB-UHFFFAOYSA-N	304.390	1.973	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCCOc1ccc(C(=O)OC)cc1	731180980	IYCLDALZWRRHBF-QBFSEMIESA-N	318.329	1.412	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1ccc(Oc2cccc(F)c2)cn1	910148346	APVRZFQMCPGZPV-LLVKDONJSA-N	319.336	1.970	50	20	DDGD	
C[C@H](CN1CCOCC1)NC(=O)NNc1ccc(F)c(F)c1	914084667	MTQOFBTVBDMQKL-SNVBAGLBSA-N	314.336	1.312	50	20	DDGD	
O=C(NN=c1c(=O)c2cccc3cccc1c32)c1ccccn1	916245323	MYWTUEOZNOIWHI-UHFFFAOYSA-N	301.305	1.870	50	20	DDGD	
C[C@@H]1CCCN(CC(=O)NNC(=O)c2cccc(C#N)c2)CC1	744397144	BTZFNLGTVGIZPZ-CYBMUJFWSA-N	314.389	1.441	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2ccc(F)c(F)c2F)CC1	748215564	LFUAMKLKZHYYLR-UHFFFAOYSA-N	302.252	1.890	50	20	DDGD	
COCC1(CC(=O)NNC(=O)c2ccc3c(c2)OCCO3)CC1	843524430	ZWRVGWLJWOCVLA-UHFFFAOYSA-N	320.345	1.036	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)Cc1scnc1-c1ccccc1	910145156	QOAAYGPDMDVVAV-LLVKDONJSA-N	305.403	1.696	50	20	DDGD	
CCC(N)(CC)CNC(=O)NNC(=O)c1cc2c(s1)CCC2	841951365	IEJVKNHKAPAOHS-UHFFFAOYSA-N	324.450	1.698	50	20	DDGD	
CC1=C(C(=O)NNc2ccccc2F)[C@H](C)n2nnnc2N1C	847599467	DMLUWOJWQYYWHQ-VIFPVBQESA-N	317.328	1.240	50	20	DDGD	
O=C(CNC(=O)c1ccc(O)cc1)NNc1ccc(Cl)nc1	743817033	YRHLEBHFTFWTLZ-UHFFFAOYSA-N	320.736	1.314	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)[C@H](C)c1ccccc1	746371091	USNDUEACMQZRJA-CMPLNLGQSA-N	311.407	1.220	50	20	DDGD	
Cc1ncc2n1C[C@H](C(=O)NNC(=O)c1cccc(C#N)c1)CC2	845438406	IZRZHALYAIMROZ-CQSZACIVSA-N	323.356	1.087	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)[C@@H]1CC12CCCC2	747311428	RWOWNQAIVMFGMC-ZDUSSCGKSA-N	312.373	1.605	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C1CCN(C)[C@H](C)C1	741456060	FELAVHPCJABDBV-GFCCVEGCSA-N	304.394	1.693	50	20	DDGD	
Cc1cccc(F)c1NC(=O)NN(C)C(=O)N1CCNCC1	841174587	XRZGUCCKTZIUDU-UHFFFAOYSA-N	309.345	1.128	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cc2cccc(F)c2o1	742036712	MGCPDEWBVBUJSV-UHFFFAOYSA-N	301.277	1.985	50	20	DDGD	
COCc1cccc(C=NNC(=O)CNC(=O)c2ccco2)c1	743437991	JZVJDNWPWAQJBL-UHFFFAOYSA-N	315.329	1.306	50	20	DDGD	
N#Cc1ccc(NNC(=O)C[C@@H]2Oc3ccccc3NC2=O)cc1	748106206	LTGIBDWWUOGKJD-HNNXBMFYSA-N	322.324	1.791	50	20	DDGD	
O=C(NN=Cc1c[nH]c2ncccc12)[C@@H]1COc2ccccc2O1	741761086	WYKZBLGCTGFEBP-HNNXBMFYSA-N	322.324	1.853	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CCCN(C(N)=O)C2)ccc1Cl	928342489	YDCNUICDJFNLNQ-JTQLQIEISA-N	310.785	1.882	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C(C)(C)C2CCC(O)CC2)n1	841431697	IGRIFZQIBVHFOX-UHFFFAOYSA-N	319.405	1.728	50	20	DDGD	
CC[C@@H](C)c1nc(C)c(CC(=O)NNC(=O)NC2CC2)c(C)n1	847392509	YGKMMGXHHKVMTK-SECBINFHSA-N	319.409	1.642	50	20	DDGD	
COC[C@@H](C)CC(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	755630177	XZHYZLRSRAKLFE-NSHDSACASA-N	316.361	1.510	50	20	DDGD	
CC1(CCNC(=O)NNC(=O)CCc2ccccc2)OCCO1	759351064	DTXMCGXAUFZOLE-UHFFFAOYSA-N	321.377	1.103	50	20	DDGD	
CCCNC(=O)NNC(=O)CCc1ccc(OC(F)F)cc1	921039573	RPQKMZQSQANXOG-UHFFFAOYSA-N	315.320	1.961	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)C(=O)NNC(=S)N[C@H](C)C1CC1	855101024	NORQTBMFBHPHNS-JGVFFNPUSA-N	309.439	1.424	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNC(=O)NCCc1cccs1	858781439	JRNBRXJBCWEDDV-LBPRGKRZSA-N	313.423	1.826	50	20	DDGD	
Cc1ccc(C(=O)C(=O)NNC(=S)N[C@H](C)C2CC2)cc1	855103633	SCYNDAPWXKBIFQ-SNVBAGLBSA-N	305.403	1.472	50	20	DDGD	
CCC(=NNC(=O)C(=O)Nc1ccc(C)cc1)c1nccn1C	755599957	WXKCQIMUXRXBJP-UHFFFAOYSA-N	313.361	1.598	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1cccc(NS(C)(=O)=O)c1	853000752	HCAGAGCIMXTZEX-WQLSENKSSA-N	324.358	1.155	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1ccc(O[C@H]2CCOC2)cc1	853368627	NXTKRUFFNHKWPS-RCBQFDQVSA-N	318.373	1.729	50	20	DDGD	
COC(=O)N[C@H](C(=O)NC[C@]1(C)C[C@@H]1Br)C(C)C	857396263	ADTHTOAXAIPOPQ-AUTRQRHGSA-N	321.215	1.657	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1ccc(Br)cc1O	853336698	JXRHRRKGMILILN-UHFFFAOYSA-N	301.140	1.376	50	20	DDGD	
CSSCCNC(=O)N1CCC(n2cnnc2O)CC1	854050719	JYQZVIJXEOVMIT-UHFFFAOYSA-N	317.440	1.341	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)c1cccc(-n2cccn2)n1	857532975	CGQCWNLTOTYPIR-UHFFFAOYSA-N	316.271	1.697	50	20	DDGD	
CC(=NNC(=O)CC(F)(F)F)c1cc(C(=O)O)ccc1O	757462167	XNUJYCZBISGQAD-UHFFFAOYSA-N	304.224	1.883	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)N[C@H]1CCn2ccnc2C1	852266915	WYAVFRUKRWYRSX-JTQLQIEISA-N	306.757	1.573	50	20	DDGD	
CC(C)n1c(O)nc2ccc(C(=O)NNC(=O)C3CC3)cc21	854180251	KKIDBAUXBGQAPW-UHFFFAOYSA-N	302.334	1.494	50	20	DDGD	
CC(C)N1CC(=NNC(=O)[C@H](C)CN2CCCCC2)[C@@H](C)C1	754256360	ASHPRWWUFVDRMB-LSDHHAIUSA-N	308.470	1.941	50	20	DDGD	
Cc1cc(C(=O)NNc2cnnn2C)c2c(C(C)C)noc2n1	857271548	PSWMABLDKYCVGT-UHFFFAOYSA-N	315.337	1.540	50	20	DDGD	
Cc1nc2ccnn2c(C)c1C(=O)NNC(=O)CC(F)(F)F	855001421	ZZQIXGRBRUZDAL-UHFFFAOYSA-N	315.255	1.060	50	20	DDGD	
COc1cccc(S(=O)(=O)NNC(=O)c2ccc(C)o2)c1	753084750	VNTQLOAZXWTDSF-UHFFFAOYSA-N	310.331	1.220	50	20	DDGD	
CC(C)c1nn(C)cc1C(=O)NNC(=O)c1cccc(F)n1	856422395	VIKHJQKCAVCXDZ-UHFFFAOYSA-N	305.313	1.152	50	20	DDGD	
CNC[C@H](C)NC(=O)NNC(=O)c1cccc2ccccc12	851681613	PPNCGRZOLVYNBY-NSHDSACASA-N	300.362	1.392	50	20	DDGD	
CC(C)Cc1ncc(C(=O)NNC(=O)Cc2cc[nH]n2)s1	932157430	IUONFKWCCIRHFR-UHFFFAOYSA-N	307.379	1.068	50	20	DDGD	
Cc1nnc(C(=O)NNc2ccc(C(F)(F)F)nn2)s1	758360183	BJTUHFHVVQUWEX-UHFFFAOYSA-N	304.257	1.412	50	20	DDGD	
COC1(C(=O)NNC(=O)c2ccc(Cl)cc2O)CCCC1	754183942	KXNBVFUFXZBZLS-UHFFFAOYSA-N	312.753	1.766	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1)C(F)(F)F	862309500	RFHGXQOJJTUOBY-VHSXEESVSA-N	323.359	1.843	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1ccc[nH]1	762938641	PKSOXCGKTYOILL-UHFFFAOYSA-N	313.273	1.479	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)C2CCCC2)cc1C	767870296	WRZBZZBIOGWSIU-UHFFFAOYSA-N	306.362	1.720	50	20	DDGD	
CN(C)c1cccnc1CNS(=O)(=O)CC(C)(C)CCl	867279580	FCXKJORNIXGOED-UHFFFAOYSA-N	319.858	1.832	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)c1cn[nH]c1)CCCO2	863154799	MUQZPNGDFNWOLF-UHFFFAOYSA-N	300.318	1.725	50	20	DDGD	
CCCC1(C(=O)NNC(=O)Cc2cn3ccccc3n2)CC1	760586234	VYUFBDTWMSZKBK-UHFFFAOYSA-N	300.362	1.605	50	20	DDGD	
COc1ccc(C)nc1NC(=O)NNC(=O)c1cccnc1	765294424	FPBUPFMXYMTIEJ-UHFFFAOYSA-N	301.306	1.260	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CC(C)(C)C)c2ccccc2c1=O	760815674	PSBCSIHCMHDIQA-UHFFFAOYSA-N	315.373	1.736	50	20	DDGD	
CN(NC(=O)c1cc(Br)nn1C)c1ccccc1	760786828	DZEYEORZNUHTPH-UHFFFAOYSA-N	309.167	1.964	50	20	DDGD	
Cn1c(=NNC(=O)[C@]2(O)CCSC2)sc2ccccc21	765591362	LDTXRRZFYMMXRP-ZDUSSCGKSA-N	309.416	1.040	50	20	DDGD	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NNC(=O)C(C)C)c1F	760335138	QAGVSQQOKJIONR-UHFFFAOYSA-N	319.314	1.008	50	20	DDGD	
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)C1CC1	765370588	VFLAJTNYVZJUKU-NSHDSACASA-N	305.334	1.721	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H]2CCc3nccn3C2)c1	862478061	RRBQXASEDAETGE-JTQLQIEISA-N	304.375	1.277	50	20	DDGD	
C[C@@H](Cc1cnc[nH]1)C(=O)N(C)NC(=O)OCc1ccccc1	862289613	STEAHVGUTZBDDA-LBPRGKRZSA-N	316.361	1.888	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc(NC(C)=O)c(F)c2)n1	765218164	MVFTWKYOZKQRGI-UHFFFAOYSA-N	319.296	1.340	50	20	DDGD	
CN(C)C(=O)c1ccc(C(=O)NNc2ncc(F)cn2)cc1	760920870	PHWPKUYBEUFIBB-UHFFFAOYSA-N	303.297	1.074	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=O)Cc2cc(C)[nH]n2)s1	869012165	IRYRLEGVMOJOAC-UHFFFAOYSA-N	307.379	1.049	50	20	DDGD	
COc1nc(N(C)C)sc1C=NNC(=O)c1ccccn1	767017985	UNFKUOFOXDYOJL-UHFFFAOYSA-N	305.363	1.377	50	20	DDGD	
Cc1cc(Cl)ccc1NC(=O)C(=O)NNC(=O)C1CCCC1	764065778	ASQRFBROCJZZSF-UHFFFAOYSA-N	323.780	1.925	50	20	DDGD	
Cc1c(S(=O)(=O)NNC(=O)N(C)C)oc2ccc(F)cc12	760343772	XBSLUMOAAMOOQE-UHFFFAOYSA-N	315.326	1.345	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1ccc2c(c1)CCC2	1118183359	QNLLOYNKKPKVFB-IAQYHMDHSA-N	317.389	1.431	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)N[C@H]2CC23CCC3)c1	876426742	KSTDIBPWYDHYKF-AWEZNQCLSA-N	317.389	1.955	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)COCCOC)C12CCCCC2	872401667	DYFXSDATTOJZMI-AWEZNQCLSA-N	312.410	1.881	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2c3c[nH]nc3CC[C@H]2C)nc1	879657996	VYRPVWNFMKUATR-OTYXRUKQSA-N	301.350	1.623	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CN(C)CCC)c1	874949920	IMDZFXINGAIYDQ-UHFFFAOYSA-N	304.419	1.327	50	20	DDGD	
CC(C)(C)OC(=O)NC1(C(=O)NNc2ccc(F)cn2)CC1	874650253	VSZKMCTYUCEXGJ-UHFFFAOYSA-N	310.329	1.721	50	20	DDGD	
COC(=O)C1(C(=O)NNC(=S)Nc2cc(C)ccc2C)CC1	873756380	GLCLZWKXOLOANH-UHFFFAOYSA-N	321.402	1.574	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNc1ccnc(N(C)C)n1	878920284	PQTVLEGPYCEPNQ-NOZJJQNGSA-N	315.381	1.075	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNC(=O)Cc1ccc(Cl)cc1	779724601	LBIRKFVXENYQJO-UHFFFAOYSA-N	312.753	1.372	50	20	DDGD	
COCCOCC(=O)NN=Cc1cc(Cl)cc(Cl)c1O	872403266	KSCZDKSMEOMVKD-UHFFFAOYSA-N	321.160	1.812	50	20	DDGD	
CCc1cnccc1[C@@H](C)NC(=O)NNc1nccc(OC)n1	774329137	LOGVTIKMKVLMGU-SNVBAGLBSA-N	316.365	1.830	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cc2c(cc1O)OCO2	772847561	JFRXWFAFKDAHKF-UHFFFAOYSA-N	316.317	1.791	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccc(C)c(Cl)c1Cl	1116598454	HGMSXKGOOJODRV-UHFFFAOYSA-N	304.133	1.408	50	20	DDGD	
COCCOCC(=O)NNC(=O)Nc1ccc(Cl)c(F)c1	878278372	KEEXADSDTILGFR-UHFFFAOYSA-N	319.720	1.295	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc2occc2s1	772140556	VBJSCILUEMOQIX-ZETCQYMHSA-N	310.331	1.597	50	20	DDGD	
COC(=O)CNC(=O)NNC(=S)Nc1ccccc1Cl	779720277	ITTJTWYTAYDBSG-UHFFFAOYSA-N	316.770	1.014	50	20	DDGD	
CNC(=O)CCCCC(=O)NNC(=O)C(C)(C)c1ccccc1	779769722	WNHQGUJAQSMNEA-UHFFFAOYSA-N	319.405	1.418	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1c(C(C)C)nn(C)c1Cl	887144397	LPZLVVZNCVBLQY-UHFFFAOYSA-N	310.785	1.761	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)N1CC[C@@H]1C	883608279	UYRDZUMAIZPKHB-UWVGGRQHSA-N	311.769	1.942	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1NCC(=O)NNC(=O)c1ccc(C#N)cc1	771790479	BPFRQBURYALDSV-DOMZBBRYSA-N	314.389	1.488	50	20	DDGD	
Cc1ccncc1C(=O)NNc1cccc(S(C)(=O)=O)c1	776535932	GNBPTNHSEYBJAF-UHFFFAOYSA-N	305.359	1.550	50	20	DDGD	
Cc1cc(C)c2[nH]cc(C(=O)NNC(=O)c3ccc[nH]3)c(=O)c2c1	776101075	UVFVBJPUGWNVRA-UHFFFAOYSA-N	324.340	1.548	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2ccccc2OC(F)(F)F)C1=O	779204268	PAKIOVOPQZXHMI-MRVPVSSYSA-N	317.267	1.507	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1c(C)noc1C(C)C	771903687	QZWZTMBHPCXYJC-VIFPVBQESA-N	311.338	1.209	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2CC[C@@H](C)C2)c1	776293157	WOLWNEAMBBYTFG-GHMZBOCLSA-N	306.362	1.901	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1nc2ccccc2s1)[C@@H](C)O	881466801	ARVNPAREYLUXHF-RKDXNWHRSA-N	307.375	1.464	50	20	DDGD	
CCCN(C)C[C@@H]1CCN(S(=O)(=O)CBr)C1	782457888	GHAONNDJVKAJAW-JTQLQIEISA-N	313.261	1.332	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(-n2cncn2)cc1C	887144177	DNLJKAVQWSDPNV-UHFFFAOYSA-N	311.345	1.140	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C(C)[C@H](OC)c1ccccc1	782243290	SYMRUEHNWHYUSW-ZFWWWQNUSA-N	308.378	1.918	50	20	DDGD	
Cl/C(=C\CBr)n1cc(CN2CCNCC2)nn1	881310455	IYZFUZQCNHYBEW-BCTAIJSYSA-N	320.622	1.115	50	20	DDGD	
CC(=NNC(=O)C(C)(C)O)c1cc(Br)ccc1O	785459766	BKZYCBYYQXIYAF-UHFFFAOYSA-N	315.167	1.766	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H]2CCCS2)c1	780840940	FDGUNLREGNGZRU-LBPRGKRZSA-N	309.391	1.995	50	20	DDGD	
COC1CCC(C(=O)NNC(=O)COc2cccc(C)c2)CC1	780160057	LDSRPCARYPIQHN-UHFFFAOYSA-N	320.389	1.726	50	20	DDGD	
COC1(CNC(=O)NN=c2sc3ccccc3n2C)CCC1	780041254	AXMCLYSLOAQIJI-UHFFFAOYSA-N	320.418	1.924	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@@H]1CCCc2sccc21	883621779	XDRFVFWTWWCJGK-GFCCVEGCSA-N	323.418	1.883	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1)c1coc(C)n1	788976752	GWGPKBPDWNUPIX-WOPDTQHZSA-N	322.409	1.569	50	20	DDGD	
O=C(C1CCC(Cl)CC1)N1CCN(c2cccnn2)CC1	1123639318	ODGQWLHBTBULKD-UHFFFAOYSA-N	308.813	1.923	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN[C@H](C)c2ccccn2)c1	782986323	BXMGSIVNJRVCCO-CYBMUJFWSA-N	312.373	1.502	50	20	DDGD	
COc1cccc(NNC(=O)Cc2cn3cccc(C)c3n2)n1	780769736	UJKHIEFFEJNRET-UHFFFAOYSA-N	311.345	1.732	50	20	DDGD	
CON(Cc1ccccc1)[C@@H](C)C(=O)NNC(=O)CC(C)C	780342102	UMLQGCAEJLDVOM-ZDUSSCGKSA-N	307.394	1.632	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	785409503	DPNBFJJINOGQTF-IMSYWVGJSA-N	321.299	1.083	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2=C(C)C(C)(C)OC2=O)c1	780800725	CSEDKJGZWVARGW-UHFFFAOYSA-N	318.329	1.568	50	20	DDGD	
O=C(Cc1cccc(F)c1)NNc1ccc(-n2ccnc2)nn1	788178714	UAEYADBMSJPRTC-UHFFFAOYSA-N	312.308	1.487	50	20	DDGD	
CC(COC(C)C)=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1	799873572	TVLIKJXAXDUAEC-AEGPPILISA-N	313.442	1.649	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@H]2N(C)CCCC2(C)C)n1	790539527	QXSWDYDCKROVMH-CYBMUJFWSA-N	320.441	1.840	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NC[C@H]2CCC(F)(F)C2)c1	797562453	ZSNHIXKWLQTFJT-NSHDSACASA-N	322.315	1.938	50	20	DDGD	
CC(=NNC(=O)c1ccc(N)cc1)c1ccc2c(c1)OCC(=O)N2	794861988	IGJFHQCXNVHKKW-UHFFFAOYSA-N	324.340	1.754	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCCC[C@@H]1c1cc[nH]n1	796196060	OKTJVEWLSBOMEJ-GXTWGEPZSA-N	321.425	1.519	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1ccoc1	795177590	NDXVNBOXZNONTC-UHFFFAOYSA-N	309.347	1.287	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1cc2c(nc1O)CCC(C)(C)C2	1319354579	PCXRUZMDUDFKMW-UHFFFAOYSA-N	305.378	1.719	50	20	DDGD	
O=C(NN=Cc1cccc2c1OCO2)c1n[nH]c2c1CCCC2	1248684271	OYFJWEJVBMNRMJ-UHFFFAOYSA-N	312.329	1.781	50	20	DDGD	
CN1C(=O)C[C@@H](C(=O)NNC(=O)C2CCC2)c2ccccc21	1318401584	BTJDDTGMJFJANU-GFCCVEGCSA-N	301.346	1.084	50	20	DDGD	
COC(=O)NNC(=O)CN(CC(C)C)C(=O)OC(C)(C)C	1323971591	OBNGBMNEZSNMSQ-UHFFFAOYSA-N	303.359	1.267	50	20	DDGD	
C=CCC1(C(=O)NNC(=S)NCCSC)CCCC1	1326501677	ICOUGEZSGDULJE-UHFFFAOYSA-N	301.481	1.981	50	20	DDGD	
CN(C)c1nccc(NNC(=O)CSCc2cccs2)n1	1252045656	QJSFJSNEAGVTCG-UHFFFAOYSA-N	323.447	1.981	50	20	DDGD	
Cc1cc(COCC(=O)NNC(=O)Cc2ccccc2C)no1	1337137169	STTPZBVVUUNWLK-UHFFFAOYSA-N	317.345	1.198	50	20	DDGD	
Cc1ccc(NNC(=O)CCCS(C)(=O)=O)cc1Cl	1251717053	RYZWSKGEVYAYRG-UHFFFAOYSA-N	304.799	1.916	50	20	DDGD	
CCCn1nc(C)c(C(=O)NNc2nncc(N)c2Cl)c1C	1253124642	VLVSNDGCADSAOZ-UHFFFAOYSA-N	323.788	1.692	50	20	DDGD	
CC(C)NC(=S)NNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1	1339379048	ZVPBFFHBWQQOPV-UHFFFAOYSA-N	324.406	1.776	50	20	DDGD	
O=C(NCC(Cl)Cl)Nc1ccnn1C[C@H]1CCOC1	1331144161	QWJXXKIMZUAFPY-MRVPVSSYSA-N	307.181	1.845	50	20	DDGD	
O=C(NN=Cc1ccnn1-c1ccc(F)cc1)C1CCOCC1	1333655085	SHHUPKFVJMOGJV-UHFFFAOYSA-N	316.336	1.888	50	20	DDGD	
O=C(CN1C(=O)CCC1=O)NNc1c(Cl)cccc1Cl	1349192341	HKWDJFHZIZRZBX-UHFFFAOYSA-N	316.144	1.586	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)C1CCCC1)C1CCOCC1	1353102307	IDEZAXATNFUJPX-UHFFFAOYSA-N	311.426	1.960	50	20	DDGD	
C=CCn1cc(C(=O)OC[C@]2(C)C[C@@H]2Br)nn1	1526044843	OATYNDCHNXXSSD-ONGXEEELSA-N	300.156	1.794	50	20	DDGD	
C[C@H]1CNc2c(C(=O)NNc3cccnc3Cl)cnn2C1	1521659829	GBYBQAIKBOZXRN-QMMMGPOBSA-N	306.757	1.750	50	20	DDGD	
CC/C(C)=C/C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	1603989142	AODNOEZSHONZGS-QPJJXVBHSA-N	307.745	1.715	50	20	DDGD	
CC(=O)N[C@H](CC(C)C)C(=O)NNc1cccc(C(=O)O)c1	1603058321	NMLOGMSEOPEIIZ-CYBMUJFWSA-N	307.350	1.379	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NC[C@@H](CC(=O)O)C1CC1	1601046611	XGBFQFBLJFNCRB-WTWVRAIASA-N	314.341	1.916	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCc1oncc1C(=O)O	1608170272	LTEQFWYRVAZLDK-YHYXMXQVSA-N	314.253	1.729	50	20	DDGD	
C=C[C@](C)(CC)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	1609051882	ABLHELXAMSLUTE-CYBMUJFWSA-N	321.772	1.961	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cc(C(=O)O)oc1C	1605017651	GIIZPDORFPONSS-UHFFFAOYSA-N	309.322	1.041	50	20	DDGD	
Cc1cncn1CC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1607914270	PCLCLXRWOYDCIL-UHFFFAOYSA-N	305.246	1.404	50	20	DDGD	
CCc1oc(/C=C(\C#N)C(=O)N[C@H](C)COC)cc1C(=O)O	1605889706	XXTPSHBYIKQHLZ-RAJVOEEQSA-N	306.318	1.598	50	20	DDGD	
CC1(C)CC(=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CO1	1609144321	QSICCHVXHMTFKD-UHFFFAOYSA-N	300.322	1.151	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1ccccc1C(=O)O	1608368132	FTQMJHYNLGIEPC-UHFFFAOYSA-N	316.288	1.528	50	20	DDGD	
O=C(NCCCO[C@@H]1CCOC1)NNc1cccc(C(=O)O)c1	1610692039	CPNPHPZMHSXLNI-CYBMUJFWSA-N	323.349	1.207	50	20	DDGD	
O=C(O)Cc1occc1C(=O)NNc1nccnc1C1CCC1	1610798533	MBOKMLSYAYZZBU-UHFFFAOYSA-N	316.317	1.721	50	20	DDGD	
Cc1ccc(F)cc1C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1	1549319399	HSTKWSRYONWJGB-GJZGRUSLSA-N	305.353	1.447	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCO[C@@H]1c1nccn1C)c1ccc[nH]1	1549308891	JYLWQDSGLCDDQO-JSGCOSHPSA-N	315.377	1.756	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CCCc3n[nH]cc32)c(F)c1	1610835419	GIJZTDJBZOORQT-SECBINFHSA-N	318.308	1.810	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)[C@@H]1NCC1(C)C	1574049605	ZOEVANCIXYRWQQ-NSHDSACASA-N	308.407	1.011	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNc1ccc(CC(=O)O)cc1	1588920414	ZNSNMFNULZGXBB-OLZOCXBDSA-N	305.334	1.283	50	20	DDGD	
C#CC(=O)N1CCCC12CN(C(=O)[C@](C)(Cl)CCl)C2	1845959788	GRKCYPPCEFGIAQ-GFCCVEGCSA-N	303.189	1.059	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1590336431	HPNCNZDOSIFQDI-VXNVDRBHSA-N	322.756	1.388	50	20	DDGD	
CCn1ccc(CC(=O)NNc2ccc(CC(=O)O)cc2)n1	1597905237	XTDYWHRNEOMLRY-UHFFFAOYSA-N	302.334	1.216	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC[C@H]1C(=O)O)c1cccc2ccccc12	1594782473	ALBBFARNCMJQRT-UONOGXRCSA-N	312.325	1.712	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)[C@H]1CC12CCSCC2	1595262333	ZEDPOBCYSGZNQH-SNVBAGLBSA-N	307.375	1.756	50	20	DDGD	
O=C(O)COc1ccc(C=NNC(=O)c2cc[nH]n2)cc1Cl	1776091729	DPKOTXJPNSYTHS-UHFFFAOYSA-N	322.708	1.290	50	20	DDGD	
O=C(NN=Cc1ccc(C(=O)O)[nH]1)c1cn2c(n1)CCCC2	1776105625	WWWIEUINNAPUOE-UHFFFAOYSA-N	301.306	1.010	50	20	DDGD	
O=C(NN=Cc1cc(Cl)ncc1C(=O)O)c1ccc(CO)o1	1776097251	URMLEFSPCFSICN-UHFFFAOYSA-N	323.692	1.282	50	20	DDGD	
Cc1cc(C)c(C(=O)O)cc1C=NNC(=O)c1ccc(O)nn1	1776047956	WFBDJVWDTWMRJB-UHFFFAOYSA-N	314.301	1.261	50	20	DDGD	
O=C(NNc1cnccn1)c1cn(Cc2cccc(F)c2)nn1	150791480	CVYBUVNMPBRFJI-UHFFFAOYSA-N	313.296	1.012	50	20	DDGD	
O=C(COC[C@@H]1CCCO1)NNc1cnc2ccccc2n1	163437027	KSPLMCNUOLKOGQ-NSHDSACASA-N	302.334	1.269	50	20	DDGD	
C=CCCC(=O)NNC(=O)c1cc(-c2ccccc2OC)n[nH]1	151239602	RITCDLBLMPAISK-UHFFFAOYSA-N	314.345	1.813	50	20	DDGD	
Cc1ccc(C(=O)NNc2nccc(N3CCOCC3)n2)s1	155551856	ZZLGPIAIGLBYHH-UHFFFAOYSA-N	319.390	1.440	50	20	DDGD	
CN1N=C(C(=O)NNc2cccc(C(F)(F)F)n2)CCC1=O	155884877	GJYSEBMNSSHTPY-UHFFFAOYSA-N	315.255	1.152	50	20	DDGD	
C=CCNC(=O)/C(C#N)=C\c1cc(OC)c(OC)cc1[N+](=O)[O-]	207849149	AUGOLJXMDDRWKK-WDZFZDKYSA-N	317.301	1.821	50	20	DDGD	
C[C@H](CCNC(=O)OC(C)(C)C)NS(=O)(=O)CCl	831047970	FZWMOGQRFMSRGZ-MRVPVSSYSA-N	300.808	1.405	50	20	DDGD	
CN(C)Cc1cccc(C(=O)NNC(=O)NCc2ccco2)c1	174297154	UYIBDTLBIIIPCF-UHFFFAOYSA-N	316.361	1.485	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc(C)c(F)c2)C1	26353328	QKOLEVAQGNYOBB-JTQLQIEISA-N	323.324	1.264	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-]	55617319	GAYZHQWCFBLHBN-MRVPVSSYSA-N	315.351	1.259	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N(C)CCC1CC1	119710933	XUZAQVUJSHXCMO-UHFFFAOYSA-N	315.377	1.729	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C2[C@H]3CCC[C@@H]23)cc1	178151710	RCTFJXBIIDHPGJ-MZBDJJRSSA-N	302.374	1.821	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC[C@@H]1CCOC1)c1ccccc1	111477686	QKUMTUBUXKFCHX-GXTWGEPZSA-N	305.378	1.547	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)N[C@@H]1CCCc2occc21	177354684	SKGAWWWFCKSOGM-CYBMUJFWSA-N	314.345	1.625	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCSc1ccccc1F	110761135	JGSDXNPIQOFPFN-UHFFFAOYSA-N	322.365	1.801	50	20	DDGD	
Cc1csc(CNC(=O)NNC(=O)Cc2ccccc2F)n1	66908227	PLPAFCKRJVXFCJ-UHFFFAOYSA-N	322.365	1.664	50	20	DDGD	
CC(C)Sc1ccccc1C(=O)NNC(=O)C(=O)NC1CC1	61090866	ZIOURJXCOGPJDY-UHFFFAOYSA-N	321.402	1.227	50	20	DDGD	
Cn1ncnc1NC(=O)NNc1ccccc1OC(F)(F)F	189214305	YCOMEHZNBHLOHQ-UHFFFAOYSA-N	316.243	1.862	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(Cl)ccc2O)n1C	78282525	NUSLXDPRUNBQTE-UHFFFAOYSA-N	307.737	1.767	50	20	DDGD	
C[C@H]1CC[C@H](NCC(=O)NNC(=O)c2ccccc2)[C@H](C)C1	187608063	YPFDYJZBGJYLAX-GUTXKFCHSA-N	303.406	1.862	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cc(OCC(F)F)ccn1	182636753	IRNNOSZTSHKVAA-UHFFFAOYSA-N	316.333	1.020	50	20	DDGD	
C[C@H](CNS(=O)(=O)CBr)CN1CCCCC1	127340779	JHZNGHIBGSXEFJ-SNVBAGLBSA-N	313.261	1.380	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cnn(-c2ccccc2)c1	128330958	NYTLCBNTJLPVPE-CQSZACIVSA-N	314.345	1.202	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C[C@@H]2C=CCCC2)c1O	189039864	OPMUDAASRGWGAP-LLVKDONJSA-N	304.346	1.908	50	20	DDGD	
CCS(=O)(=O)CCNC(=O)NNc1c(C)cccc1F	184281101	DKGRIZIZZGSJOV-UHFFFAOYSA-N	303.359	1.195	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)CCCN2C(=O)CN(C)C2=O)c1	120508034	NTASNADBEBXNAH-UHFFFAOYSA-N	318.377	1.421	50	20	DDGD	
Cc1cc(CCC(=O)NN(C)C(N)=O)ccc1Br	181094700	PGQQQSIUTPXSRR-UHFFFAOYSA-N	314.183	1.732	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNC(=O)c1cc(C2CC2)[nH]n1	74214070	OOCSFLWVLPHPKO-UHFFFAOYSA-N	324.344	1.098	50	20	DDGD	
COc1cccc(C(=O)NNc2nc3ccccc3c(=O)n2C)c1	70905200	YEEIUWVGZDLNJK-UHFFFAOYSA-N	324.340	1.699	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)c2ccc(C)s2)c1	73315281	KXJJLFLADMQVOV-UHFFFAOYSA-N	319.386	1.938	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NC[C@]1(O)CCSC1	185791778	RLYNIFHABARURD-CUXKMMBLSA-N	304.371	1.283	50	20	DDGD	
O=C(/C=C/Sc1ccccc1)NNC(=O)Cc1cc[nH]n1	186140057	MJSATXCRPXPBAX-VQHVLOKHSA-N	302.359	1.406	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCOCC(F)F)cc1	191618914	RVTOFPBXJNYOHC-UHFFFAOYSA-N	315.320	1.475	50	20	DDGD	
CCCC[C@H](NNC(=O)Cn1ccc2ccccc21)C(=O)OC	135206635	DDLZSCHTWKECMG-AWEZNQCLSA-N	317.389	1.994	50	20	DDGD	
COCCOCCNS(=O)(=O)c1ccc(CCl)cc1	381792329	HJBMGUVXUDQQDN-UHFFFAOYSA-N	307.799	1.367	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1cnns1	194227742	CTFPSRITPYVJGZ-UHFFFAOYSA-N	317.157	1.920	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C2(O)CCCCC2)c1	86556014	YSZTWJMCNYQGQQ-UHFFFAOYSA-N	320.389	1.525	50	20	DDGD	
CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1	42968891	MFMPRHDMGXBUCM-ZDUSSCGKSA-N	319.361	1.221	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NC1CCN(C(C)(C)C)CC1	193853963	YFXJYQGGLHZANJ-UHFFFAOYSA-N	314.430	1.988	50	20	DDGD	
CSC1(CNC(=O)NNC(=O)c2ccc(C#N)cc2)CCC1	195112740	MAPWLDUIDDFWKQ-UHFFFAOYSA-N	318.402	1.788	50	20	DDGD	
COc1ccnc(NNC(=O)C[C@@H](O)c2ccc(Cl)cc2)n1	91091354	YCEDJZKPOFGVDX-LLVKDONJSA-N	322.752	1.705	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C[C@@H](C)C2CCNCC2)n1	237304534	GTWGNRGSAZAOOD-SNVBAGLBSA-N	307.398	1.263	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1nn(-c2ccc(F)cc2)cc1O	267871840	UXFFVYPZGSVSBH-UHFFFAOYSA-N	318.308	1.278	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N(C)C[C@H]1CCCOC1	264590160	VVXZXYPLVIYFGE-GFCCVEGCSA-N	321.377	1.408	50	20	DDGD	
O=C(NNC(=O)c1ccc(OC2CCOCC2)cc1)NC1CC1	266112956	UPQUNKFKERLNEQ-UHFFFAOYSA-N	319.361	1.351	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)c2cccn2C)cc1C	268950480	HXVJREWDPPTVBM-UHFFFAOYSA-N	317.345	1.182	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNc1cc(Cl)nc(C)n1	267146710	HVQCPTPTQIZEQM-UHFFFAOYSA-N	313.789	1.578	50	20	DDGD	
COCCCNC(=O)NNC(=O)C[C@H](C)c1ccccc1OC	264242275	ZNYAYLSWSFYGKQ-LBPRGKRZSA-N	323.393	1.556	50	20	DDGD	
O=C(Cc1ccc(Br)cc1)NNC(=O)C1CCC1	264792358	RZFAHMVBCJJEFV-UHFFFAOYSA-N	311.179	1.939	50	20	DDGD	
C=CC[C@@H](C)NC(=O)NNC(=O)c1ccc2c(c1)OCCO2	265352395	FKQQLPFXCVAXJZ-SNVBAGLBSA-N	305.334	1.366	50	20	DDGD	
O=C1C[C@@H](C(=O)NNC(=O)C2CCC2)c2ccc(F)cc2N1	264778361	POYPNPAQXYBWLJ-LLVKDONJSA-N	305.309	1.199	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2cn[nH]c2C1)NC1CCCCC1	266256301	URPQPLIWXXXDMY-SNVBAGLBSA-N	305.382	1.178	50	20	DDGD	
C[C@H]1COCCN1C(=O)NNC(=O)C(C)(C)c1ccccc1	264643866	CHNPTBKJFUPBDI-LBPRGKRZSA-N	305.378	1.426	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc(-c2cnn(C)c2)nn1	278788284	RATCSBQMTMBUEQ-UHFFFAOYSA-N	317.353	1.076	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc2n(n1)CCO2	368121083	GEBXZCWYJSDKJK-UHFFFAOYSA-N	309.329	1.889	50	20	DDGD	
CCOCc1ccc(CNC(=O)CN2CC=C(C#N)CC2)cc1	272621358	IWECRMXZYKIWQU-UHFFFAOYSA-N	313.401	1.995	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)Nc1ccc2scnc2c1	274103942	PNUUMNKYNLNHFC-UHFFFAOYSA-N	318.358	1.182	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2c(C)nc3ccnn3c2C)n1	270505179	NHEWBGKSTQVMNV-UHFFFAOYSA-N	311.349	1.510	50	20	DDGD	
Cn1cc([C@H]2OCC[C@@H]2C(=O)NNc2ncccc2Cl)cn1	275537946	MKASZBMJTBMAGW-CMPLNLGQSA-N	321.768	1.689	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NOC1CCCC1	271734361	OAFJHIQUEBCNCI-UHFFFAOYSA-N	321.377	1.832	50	20	DDGD	
C[C@@](O)(CC(=O)NNC(=O)NC1CCCC1)c1ccccc1	272894954	ZUCNAROZNDEFFR-MRXNPFEDSA-N	305.378	1.557	50	20	DDGD	
CCc1ccccc1NC(=O)NNC(=O)[C@H](C)OCCOC	272331947	KMXYLRUJYMBQRT-NSHDSACASA-N	309.366	1.453	50	20	DDGD	
COc1cc(SC#N)ccc1OS(=O)(=O)[C@H]1CCOC1	270898243	ZMECPDQWGCDFME-JTQLQIEISA-N	315.372	1.766	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(O[C@@H]2CCOC2)cc1	279047996	RKGCVEVOAGHYPZ-CYBMUJFWSA-N	306.362	1.661	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(-n2nc(C)cc2C)cc1	271368841	OZZDPMHMRDODEP-UHFFFAOYSA-N	315.377	1.795	50	20	DDGD	
C=CC[C@H](C)NC(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C	273606231	SHLMOFOCTXGMIN-VHSXEESVSA-N	314.386	1.195	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNc2nnc(-c3ccccn3)s2)O1	282295999	RZRBGLULFKJAPH-KKZNHRDASA-N	319.390	1.857	50	20	DDGD	
C[C@H]1NCCC[C@H]1C(=O)NNc1nc(-c2ccccc2)no1	288782485	QCIPTCAYDXAFCZ-ZYHUDNBSSA-N	301.350	1.568	50	20	DDGD	
O=C(CCc1c[nH]cn1)NNc1ccc(C(F)(F)F)nn1	281328138	VIFOMFDZUKVILG-UHFFFAOYSA-N	300.244	1.294	50	20	DDGD	
CCn1cc(CNC(=O)NNC(=O)Cc2ccccc2F)cn1	286675990	BXGNQPATOHXMRP-UHFFFAOYSA-N	319.340	1.115	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cnc(C3CC3)nc2N)n1	287847730	CJPHCAPJTXFIDD-UHFFFAOYSA-N	319.756	1.445	50	20	DDGD	
COC(=O)[C@H]1CC[C@H]1C(=O)NNc1ccc(OC(F)F)cc1	285718109	JCGNESATTBKLQK-MNOVXSKESA-N	314.288	1.930	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@H]1CCCO1)c1cc(F)cc(C#N)c1	294202182	XVGIERCLXKECSG-ZDUSSCGKSA-N	319.336	1.301	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cnccc2C#N)cc1	805152332	SIASSPGQWMLRPC-UHFFFAOYSA-N	310.313	1.102	50	20	DDGD	
O=C(CCc1nc(-c2ccco2)no1)NNC(=O)CC1CC1	294018356	BZFFKBRNVAGBOO-UHFFFAOYSA-N	304.306	1.210	50	20	DDGD	
CCCN(NC(=O)[C@H](C)NC(=O)CC)C(=O)OC(C)(C)C	804591694	CFVJLFRPIUYSKU-JTQLQIEISA-N	301.387	1.579	50	20	DDGD	
C[C@H](CCc1cccn1C)NC(=O)NNC(=O)[C@@H]1CCCCO1	296589615	UMGWUWGSIUKFBP-OCCSQVGLSA-N	322.409	1.246	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1coc2c1C(=O)CCC2	294595225	YUMFCKYZBNHTFU-UHFFFAOYSA-N	301.302	1.212	50	20	DDGD	
Cc1nn(C)cc1C(=O)NNC(=O)Nc1ccc(Cl)cc1	802020647	AHWQTYCVYZVQPV-UHFFFAOYSA-N	307.741	1.848	50	20	DDGD	
COCc1cnc(NC(=O)NNC(=O)Cc2cccnc2)s1	806601716	PRXKUGRFQNDTEO-UHFFFAOYSA-N	321.362	1.080	50	20	DDGD	
O=C(C[C@@H]1CCc2ccccc21)NNC(=O)N=c1cc[nH]cc1	802036345	VFAXIUBPJWWYSX-ZDUSSCGKSA-N	310.357	1.776	50	20	DDGD	
CN1CCCC(C)(C)[C@@H]1CNC(=O)NNc1cccc(F)n1	805394418	OAMHTEGVIWAZIP-NSHDSACASA-N	309.389	1.967	50	20	DDGD	
CCCc1nc(C(=O)NNc2ccc(-n3ccnc3)nn2)co1	804954401	DRJUYSDXORBRHZ-UHFFFAOYSA-N	313.321	1.360	50	20	DDGD	
Cc1cc(C)n2nc(C(=O)NNc3cccc(F)n3)nc2n1	804771263	PBVHTOHDNWYUIN-UHFFFAOYSA-N	301.285	1.032	50	20	DDGD	
Cc1ccn(CC(=O)NNC(=O)Nc2ccccc2)c(=O)c1	801990235	BGUYGDSNVIJQKJ-UHFFFAOYSA-N	300.318	1.010	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)NNc1ccncn1	295329673	ASPPDJYIUXKZJE-UWVGGRQHSA-N	309.370	1.469	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)CCn2ccnn2)cc1C	291168982	JTCAVJFKKRNEKY-UHFFFAOYSA-N	317.349	1.297	50	20	DDGD	
O=C(CCc1ccccc1O)NNC(=O)c1cccnc1F	806805672	CNCYRSKPXUQERE-UHFFFAOYSA-N	303.293	1.320	50	20	DDGD	
CN(NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(N)=O	813506943	UVTGDMLWNXKQIA-UHFFFAOYSA-N	307.093	1.557	50	20	DDGD	
CC(=O)NNC(=O)c1nn(-c2cccc(F)c2)c2c1CCCC2	817509265	JQSODWBVUBFKSP-UHFFFAOYSA-N	316.336	1.671	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2nc3c(s2)CCCC3)CC1	814912950	DJUCFNKSOXAUSI-UHFFFAOYSA-N	307.423	1.313	50	20	DDGD	
Cc1ccc(Br)c(C)c1C(=O)NNC(=O)N(C)C	814668784	CQOLGSMAPRNLKT-UHFFFAOYSA-N	314.183	1.982	50	20	DDGD	
COc1cccc([C@@H](C)CC(=O)NNC(=O)c2ccnnc2)c1	817693743	VTBXIQKXRIOOIF-NSHDSACASA-N	314.345	1.440	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cccnc2-c2cnn(C)c2)n1	816837291	QDLWNKFPWCDRBV-UHFFFAOYSA-N	323.360	1.646	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1cncc(-n2ccnn2)c1	817005176	IEXVCSGKUOOHQK-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)C1(F)CCCCC1	810364935	MAEIGXCYQMDEHV-UHFFFAOYSA-N	310.325	1.591	50	20	DDGD	
Cc1sc2ncn(CC(=O)NN(C)C3CC3)c(=O)c2c1C	819643414	AWZZKUMLYQFUQW-UHFFFAOYSA-N	306.391	1.200	50	20	DDGD	
CS(=O)(=O)c1ccc(NC(=O)NNc2ccccc2F)cn1	726873336	AZTIVQGFNMZSNA-UHFFFAOYSA-N	324.337	1.773	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@H]1CC[C@H](C2CCC2)CC1	823810531	OPEFZLVXDRYZBC-HDJSIYSDSA-N	311.426	1.960	50	20	DDGD	
COCC[C@H](C)NC(=O)NN=c1sc2ccccc2n1C	725868520	WKVKNGQKRAJUJR-JTQLQIEISA-N	308.407	1.780	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)c2c[nH]c3ccccc23)nc1	728857181	ILCUCQKOHJMGGT-UHFFFAOYSA-N	304.309	1.619	50	20	DDGD	
CC(C)[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)C(F)(F)F	826593037	PHXWISRQANGWFR-YIZRAAEISA-N	311.304	1.329	50	20	DDGD	
COCCOc1cccc(C=NNC(=O)Cc2cccnc2)c1	728786802	ZQHGBQNBIBNUCT-UHFFFAOYSA-N	313.357	1.800	50	20	DDGD	
CC[C@@H](C)NC(=S)NNC(=O)Cn1ccc2ccccc21	729646486	ZINBQEQYPWMVHN-LLVKDONJSA-N	304.419	1.935	50	20	DDGD	
CCC(=O)C1(C(=O)NNc2cccc(F)c2C(=O)OC)CC1	822731722	LXJPVFPCUMOSLR-UHFFFAOYSA-N	308.309	1.815	50	20	DDGD	
Cc1ccnc(NNC(=O)c2ccc(-c3nn[nH]n3)s2)c1	822374480	YMWJTDXFKWIGRN-UHFFFAOYSA-N	301.335	1.389	50	20	DDGD	
CCCCCC=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	825268173	RHTZOKPLHKDNDO-UHFFFAOYSA-N	316.365	1.928	50	20	DDGD	
CCCCCCNC(=O)NNC(=O)CNC(=O)OC(C)(C)C	494741852	HNMLHSKGQYVITD-UHFFFAOYSA-N	316.402	1.422	50	20	DDGD	
O=C(NN=Cc1ccc(N2CCOCC2)s1)c1ccc[nH]1	725854217	IZDWINFLNGUEFA-UHFFFAOYSA-N	304.375	1.677	50	20	DDGD	
Cc1nc([C@@H]2CCN(C(=O)/C(C#N)=C\c3ccc(O)cc3)C2)n[nH]1	491135260	SPBIKEGTDRHXEI-HRYODUOUSA-N	323.356	1.742	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C2CC2)nnn1-c1ccccc1Cl	728854891	GMSUFBOEPDSYPD-UHFFFAOYSA-N	319.752	1.400	50	20	DDGD	
COC(=O)N1CCC(CNC(=O)NNc2ccccn2)CC1	495835331	GCJBSKUYLQFNKS-UHFFFAOYSA-N	307.354	1.186	50	20	DDGD	
COC(=O)NNC(=O)c1cc(C)n(-c2ccc(OC)cc2)n1	495326486	LPBKSTIAYSDMRY-UHFFFAOYSA-N	304.306	1.190	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)NOCC1CCC1	824118472	XXMAZZISPHXOJM-UHFFFAOYSA-N	316.159	1.597	50	20	DDGD	
CSc1nnnn1-c1cccc(NC(=O)NN(C)C2CC2)c1	824031788	ZCFZBYVYHNEYQQ-UHFFFAOYSA-N	319.394	1.515	50	20	DDGD	
COCc1cccc(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	825702222	PYQXPNFWRBSTRC-FZMZJTMJSA-N	321.377	1.088	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H]1CCN1C(C)(C)C	908032715	SLCWRNUZYCPIOH-LBPRGKRZSA-N	323.368	1.928	50	20	DDGD	
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NNC(=O)c1ccc(C)o1	906932514	AIUMXMSDYQVNPQ-WDEREUQCSA-N	308.334	1.328	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H]2CCOC2)c1C	730401728	PGFVFRJGWIMUKI-HTRKUNOGSA-N	318.373	1.990	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CNc1cccc(Cl)c1	733955106	DDQPKMUVSWMOJN-UHFFFAOYSA-N	307.741	1.245	50	20	DDGD	
COc1ccccc1[C@H](NCc1ccc(B(O)O)o1)C(C)(C)C	585031295	CJSCXQPVQAMPJV-INIZCTEOSA-N	317.194	1.845	50	20	DDGD	
Cc1cc([C@H](C)NC(=O)c2cc(B(O)O)ccc2F)c(C)s1	584930956	HFHAIYZNPBCLFL-VIFPVBQESA-N	321.182	1.675	50	20	DDGD	
Cc1cc(Cl)ncc1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	831566093	JEQUASUOCNINJM-DTWKUNHWSA-N	312.757	1.621	50	20	DDGD	
O=C(NNC(=O)c1csc(N2CCCCC2)n1)NC1CC1	900382516	FFXRKZSMEAYFIR-UHFFFAOYSA-N	309.395	1.240	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)c2c[nH]c3ccccc23)CCOC1	733351995	KPIVZJRBPHTYGY-MRXNPFEDSA-N	316.361	1.539	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCCCCCCN)cc1	831256602	DERZZINLVSFCKC-UHFFFAOYSA-N	303.366	1.021	50	20	DDGD	
COCCOc1cccc(NCc2cccc(B(O)O)c2)c1	585012394	WYBPDZVSALVLSM-UHFFFAOYSA-N	301.151	1.004	50	20	DDGD	
OB(O)c1ccccc1CN[C@H]1CCCOc2cc(F)ccc21	585032161	BYTGQGRUVYLUIY-INIZCTEOSA-N	315.153	1.509	50	20	DDGD	
CN1CCC[C@H](CN(C)C(=O)[C@@]2(C)C[C@@H]2Br)C1	906711166	QIGWRBHMEOSUPD-GVXVVHGQSA-N	303.244	1.960	50	20	DDGD	
CCOCC1(C(=O)NNc2ccc(C(=O)OC)cc2F)CC1	837207515	WTAVYVLFGBQKQG-UHFFFAOYSA-N	310.325	1.872	50	20	DDGD	
CCC(=NNC(=O)[C@H](C)CN1CCOCC1)c1ccsc1	834932396	HITWHVGKXDMUEY-GFCCVEGCSA-N	309.435	1.947	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)CCc2cc(OC)no2)c1	831895085	VGAOKYRSNWKRGZ-UHFFFAOYSA-N	319.317	1.546	50	20	DDGD	
O=C(NCCCc1cccs1)NNC(=O)[C@H]1CCCCO1	836381396	FMWYZPCIBSVCNQ-GFCCVEGCSA-N	311.407	1.580	50	20	DDGD	
CC(C)n1ccc(C(=O)NNc2nc(-c3cccnc3)no2)n1	733154098	FWGVTMAIIYFSBK-UHFFFAOYSA-N	313.321	1.666	50	20	DDGD	
C[C@H]1CN(CCNC(=O)NNc2c(F)cccc2F)CCO1	735755765	WHSREQWZIJNQBT-JTQLQIEISA-N	314.336	1.312	50	20	DDGD	
CO[C@@H](C=NNC(=O)COCc1ccccc1)C1CCOCC1	834959525	URWSJZKXMXRLOH-INIZCTEOSA-N	320.389	1.747	50	20	DDGD	
C=C[C@](C)(O)C(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	834584253	OJKILITWHVBCEP-XPTSAGLGSA-N	312.753	1.192	50	20	DDGD	
COCCN(C)NC(=O)Cc1cncn1Cc1ccccc1	837625646	SRFUWBXRDNSYKA-UHFFFAOYSA-N	302.378	1.083	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)CC(F)(F)F)cc1O	839556833	RODQRFIYXUYOIN-UHFFFAOYSA-N	304.224	1.308	50	20	DDGD	
C[C@@H](CBr)COC(=O)/C(C#N)=C\c1cnn(C)c1	837972758	XOZHZCPAHCGKDH-XXVIQQQLSA-N	312.167	1.901	50	20	DDGD	
CON1CCC(=NNC(=O)[C@@H](C)Oc2ccc(F)cc2)CC1	834928425	MPOMCBUWYXPTQK-LLVKDONJSA-N	309.341	1.722	50	20	DDGD	
COC(=O)[C@]1(C)CCCN(C(=O)[C@]2(C)C[C@H]2Br)C1	910553445	CNIDRKDBYMCHDF-OASPWFOLSA-N	318.211	1.962	50	20	DDGD	
CNC(=O)NNC(=O)c1ccc(C)c(NC(=O)NC(C)(C)C)c1	740818820	OPDIHTBCBLSNPA-UHFFFAOYSA-N	321.381	1.489	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1[N+](=O)[O-])c1ccc[nH]1	916321780	AKCZHOJNTZATBP-UHFFFAOYSA-N	302.290	1.842	50	20	DDGD	
CCS[C@H]1CC[C@H](N(C)CC(=O)NNC(=O)C(C)(C)C)C1	744423510	IHLAUPRCWGZLJL-RYUDHWBXSA-N	315.483	1.786	50	20	DDGD	
C[C@H]1CCCC[C@@H]1OCC(=O)NNc1ncnc2[nH]cnc12	743471095	QOLQMZQSZINBJG-UWVGGRQHSA-N	304.354	1.391	50	20	DDGD	
O=C(NN=Cc1ccccc1O)c1ccc(-n2cnnn2)cc1	916351793	KVGZSGNMFTXYBA-UHFFFAOYSA-N	308.301	1.132	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1ccc(C)s1	917029224	XHYXMDTZNLXFNI-LLVKDONJSA-N	309.435	1.865	50	20	DDGD	
C[C@@H]1C(=O)N(C)CCN1S(=O)(=O)c1ccc(CCl)cc1	914399287	GADQSZPIUQINPA-SNVBAGLBSA-N	316.810	1.277	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1ccc(F)cc1[N+](=O)[O-]	845297227	RTNQLSSVADOHFR-UHFFFAOYSA-N	312.301	1.407	50	20	DDGD	
COCCn1c(C)cc(C=NNC(=O)[C@H]2CCO[C@@H]2C)c1C	842558726	SNCOTJJGIILLMB-HIFRSBDPSA-N	307.394	1.626	50	20	DDGD	
CCC(CC)(CO)C(=O)NNC(=O)Nc1ccc(OC)cc1	848045361	XEWHICRGCJHKQR-UHFFFAOYSA-N	309.366	1.647	50	20	DDGD	
COCC(=NNC(=O)c1ccc(-n2cnnn2)cc1)C(C)C	741456937	UGKDBVSGBUGMIR-UHFFFAOYSA-N	302.338	1.051	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCC(=O)c1cccs1	843637026	AHGFOMZTUFCVBG-UWVGGRQHSA-N	310.375	1.283	50	20	DDGD	
CC(C)[C@H](N)CNC(=O)NNC(=O)Nc1cc(F)cc(F)c1	841944571	LRJFKMGIJPIPQD-LLVKDONJSA-N	315.324	1.284	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)Cc1cccnc1)[C@@H]1CC1(C)C	841578793	XBXYKTPRZOEJTI-STQMWFEESA-N	304.394	1.779	50	20	DDGD	
C[C@@H](CCO)SCC(=O)NNC(=O)c1ccccc1Cl	742452900	FQCGKTUZXHHLLZ-VIFPVBQESA-N	316.810	1.605	50	20	DDGD	
CSCc1nc2ccccc2n1CC(=O)NN(C)C[C@H](C)O	910180466	VQRBJNWAXIBMRY-NSHDSACASA-N	322.434	1.243	50	20	DDGD	
CCC(=O)NN=C(C)c1ccc(O)c(CN2CCOCC2)c1	915915815	OXHPKIUODSUYPD-UHFFFAOYSA-N	305.378	1.475	50	20	DDGD	
N#Cc1cccc(NNC(=O)CNC(=O)C2CCCCC2)c1	748031404	WXBTUKAVVWVLQF-UHFFFAOYSA-N	300.362	1.698	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1ccc2c(c1)CCC2	843648366	QDLVHHHLEXTFCK-NHYWBVRUSA-N	302.374	1.290	50	20	DDGD	
COc1ccnc(NNC(=O)NCC(C)(C)OCC2CC2)n1	840427088	KLOLLMJOKMFPSP-UHFFFAOYSA-N	309.370	1.317	50	20	DDGD	
CS(=O)(=O)[C@H]1CCCCC1=NNC(=O)c1ccccc1O	741452136	YSVZNHNZEOSNNB-ZDUSSCGKSA-N	310.375	1.465	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)c2c(C)nn(C)c2C)cc1	846370505	LWHDQYOJOPCDRJ-UHFFFAOYSA-N	316.361	1.509	50	20	DDGD	
COCCOCCNC(=O)NNc1ccc(Cl)cc1F	914205211	KTWQZWZPZLMNFI-UHFFFAOYSA-N	305.737	1.768	50	20	DDGD	
COc1ccnc(NNC(=O)Cc2cnn(-c3ccccc3)c2)n1	914762633	YVGNARIUGVQSCO-UHFFFAOYSA-N	324.344	1.357	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1cc(C)ccc1OC	740764100	ZCIRUHDGCGYQTK-UHFFFAOYSA-N	305.378	1.759	50	20	DDGD	
COC(=O)/C=C/c1ccc(C=NNC(=O)NCC(F)(F)F)o1	848403475	UOZAGDKCOAHNTE-SZOPXLEGSA-N	319.239	1.661	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCc1cc(F)ccc1F	919683758	NPFBNXBSBSOHPE-UHFFFAOYSA-N	307.300	1.697	50	20	DDGD	
NC1(CNC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)CCC1	846675456	HCSLXGVAZVYNBY-OUJBWJOFSA-N	301.228	1.938	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)CC(F)(F)F)c1ccco1	746771576	UEZZPWVVFKBCSX-SSDOTTSWSA-N	309.244	1.250	50	20	DDGD	
CC(C)(C)C[C@@H]1C[C@H]1C(=O)NNC(=O)COc1ccccc1O	843792716	MCWOOYODYJAIQJ-NWDGAFQWSA-N	320.389	1.991	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@@H]1CC[C@H]2CNC[C@H]2C1	842014055	CEGUVOMSBFMIRU-IVZWLZJFSA-N	310.789	1.144	50	20	DDGD	
O=C(NCCOCC(F)(F)F)NNc1ccc(Cl)nc1	745438817	FDLYHSMSFHRMAW-UHFFFAOYSA-N	312.679	1.940	50	20	DDGD	
CN1CC[C@@H]1CNC(=O)NNc1cccc(Br)n1	925428248	BSSVLYGEEAHSHI-MRVPVSSYSA-N	314.187	1.174	50	20	DDGD	
CCn1ncc(Cl)c1C(=O)NNC(=S)NCC1CCC1	857724011	BTZYNYMODNGIIZ-UHFFFAOYSA-N	315.830	1.465	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2O)nc1	753288405	RNFHEROWAWBNDD-UHFFFAOYSA-N	305.721	1.824	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC2Cc3ccccc3C2)o1	752381514	WOKXVVJDTMOJJA-UHFFFAOYSA-N	313.357	1.947	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NC[C@@]2(C)C[C@@H]2Br)C1	857404760	VIZIYIWXCGQTKL-GMXVVIOVSA-N	317.227	1.535	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)OC[C@@H](CBr)C1CC1	859617715	ZOCRXVXRIAQHOA-IONNQARKSA-N	308.172	1.695	50	20	DDGD	
CCCCNC(=O)NN=C[C@@H]1CCCO[C@H]1c1ccnn1C	853296063	ZPUFPPFRSDGLAE-GXTWGEPZSA-N	307.398	1.973	50	20	DDGD	
C=CCNC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1ccc(O)cc1	750663753	PZNWOIGUCPREGQ-NASPGAHYSA-N	300.314	1.533	50	20	DDGD	
CC[C@H](C(=O)NN(C)C(=O)OC)N(C)C(=O)OC(C)(C)C	854409664	KGNQBTWXTMWTLS-SECBINFHSA-N	303.359	1.361	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1cnc2c(cnn2CC(C)C)c1	854926056	QHJUVQXBIHXIGR-UHFFFAOYSA-N	320.422	1.168	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)/C=C\c1cncc(O)c1)C1CC1	855099264	VTLPONSCFRUTSX-ANTNXHBISA-N	306.391	1.094	50	20	DDGD	
C[C@H](c1ccccc1)[C@@H](O)CNC(=O)NNC(=O)C1CCCC1	852279628	WRNOKXFWTXFDNJ-DOMZBBRYSA-N	319.405	1.672	50	20	DDGD	
Cn1ncc(Cl)c1C(=O)NC[C@]1(C)C[C@H]1Br	857408376	VOWVIXJOULEWBT-XCBNKYQSSA-N	306.591	1.977	50	20	DDGD	
O=C(NNC(=O)c1cc2c([nH]1)CCCC2)c1cccc(F)n1	856427610	AFLIRXJPVOOXRT-UHFFFAOYSA-N	302.309	1.502	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cc(C)cc(F)c1	854282441	KFAQFLOVDBKTRB-UHFFFAOYSA-N	313.398	1.622	50	20	DDGD	
O=C(NCC#CCO)NNc1cc(C(F)(F)F)ccc1F	923776386	YOJUIXRQUUJNEQ-UHFFFAOYSA-N	305.231	1.466	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)c2ccccc2C)ncn1	757762630	GEOUHVUXTHIGEF-UHFFFAOYSA-N	301.306	1.260	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)Cc1nc(-c2ccccc2)cs1	756805079	OIVBFJDXPWBDFP-UHFFFAOYSA-N	319.386	1.271	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnn2cccc(Cl)c12	855005425	FDPBTUACLOSHFW-IUCAKERBSA-N	322.752	1.174	50	20	DDGD	
O=C1CC(C(=O)OC[C@@H](CBr)C2CC2)CC(=O)N1	859541121	SHSTZOZQMRJCPN-SECBINFHSA-N	318.167	1.004	50	20	DDGD	
CC(=O)N1CCN(C[C@H](CBr)C2CC2)[C@H](C)C1	859165924	NEGUQCVSAGUVLD-MFKMUULPSA-N	303.244	1.960	50	20	DDGD	
COc1cc(C(=O)NC[C@@]2(C)C[C@@H]2Br)nn1C	857390335	DOHUTRXGIWBIMQ-GZMMTYOYSA-N	302.172	1.332	50	20	DDGD	
CC(C)c1cnc(NC(=O)C(=O)NNC(=O)CC2CC2)s1	756155741	SOVKLBIADASYEX-UHFFFAOYSA-N	310.379	1.153	50	20	DDGD	
CCOC(=O)NNC(=O)CCC(=O)c1c(F)cccc1F	854163032	GCQBHJMQAYIRSL-UHFFFAOYSA-N	300.261	1.705	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc(-n2cnnn2)c1C	755444635	PZYIVRJVSHUJDM-SECBINFHSA-N	317.353	1.170	50	20	DDGD	
CCn1cc(C(=O)NNc2ccc(OC(F)(F)F)cc2)nn1	935021896	OBLWCZKPJUBRST-UHFFFAOYSA-N	315.255	1.954	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cc2cc(OC)ccc2o1	763358347	RIGWOKSTWFRGLM-NSHDSACASA-N	320.345	1.943	50	20	DDGD	
CCCN(NC(=O)c1cn(C2CC2)nn1)C(=O)OC(C)(C)C	861678294	XAPNPWSCXZDBQD-UHFFFAOYSA-N	309.370	1.905	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NNc1cnccn1	860937203	WKTKCCUKBCFRPA-JTQLQIEISA-N	309.370	1.565	50	20	DDGD	
Cc1ccc(C(=O)NNc2ncc(F)cn2)cc1S(C)(=O)=O	760911487	IWQLWEAODSQJGK-UHFFFAOYSA-N	324.337	1.085	50	20	DDGD	
CCOC(CCNS(=O)(=O)CC(C)(C)CCl)OCC	867165213	CHVWLSFHACSOKK-UHFFFAOYSA-N	315.863	1.960	50	20	DDGD	
C[C@H](NNC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)C(F)(F)F	862306559	BPQPDMAHLJKXRE-VHSXEESVSA-N	321.343	1.739	50	20	DDGD	
CS(=O)(=O)CC(=O)NN=C1CCc2c(Cl)cccc21	863188063	MMPMDENXZXLFQY-UHFFFAOYSA-N	300.767	1.151	50	20	DDGD	
CC1=C(C(=O)NNCC(F)(F)C(F)(F)F)C(=O)OC1(C)C	863094628	YQBQKDJDFWBZEX-UHFFFAOYSA-N	316.226	1.457	50	20	DDGD	
CCCNC(=O)NNC(=O)c1c(C(F)F)nc2ccccn12	865023477	DJBXASQKCMSDFC-UHFFFAOYSA-N	311.292	1.626	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)C2(F)CCOCC2)c1	864458886	VTLPNLGAGNNSAB-UHFFFAOYSA-N	310.325	1.040	50	20	DDGD	
CCn1cc(NC(=S)NNC(=O)c2cc(C)cs2)cn1	863204657	FSIOFLADHHCDPG-UHFFFAOYSA-N	309.420	1.904	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](Cc1ccncc1)C(=O)OCC	768259591	JGBSKTUMHSAJHS-CMPYXILNSA-N	317.345	1.116	50	20	DDGD	
O=C(CCc1nc2ccccc2o1)NNc1ncc(F)cn1	760912748	ZNPNAHJPLHJIPA-UHFFFAOYSA-N	301.281	1.833	50	20	DDGD	
O=C(NN=Cc1ncccc1C(F)(F)F)C(=O)N1CCCC1	765572060	OITYEXKQWGRYIP-UHFFFAOYSA-N	314.267	1.173	50	20	DDGD	
Cc1c(Cl)cccc1C=NNC(=O)[C@H]1CCS(=O)(=O)C1	872339310	GDOMWVOKZMMVFZ-NSHDSACASA-N	314.794	1.533	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)c2ccccc2Cl)o1	1116317349	LVMDKRFGNSNKRS-UHFFFAOYSA-N	322.704	1.794	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)CC[C@H]1CCCO1	873767276	CLOKXQBVNZVQGX-LLVKDONJSA-N	323.418	1.972	50	20	DDGD	
COCCCNC(=O)NN=CCCc1ccc2c(c1)OCCO2	774588882	YKSURNVXUBFOKT-UHFFFAOYSA-N	321.377	1.712	50	20	DDGD	
C[S@](=O)c1cccc(C(=O)NNC(=O)c2ccccc2F)c1	770210021	ROMNPYYMIWOMLG-QFIPXVFZSA-N	320.345	1.638	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)Cc2noc(C)c2C#N)cc1	779380192	NSKQNRVNOYBDFF-UHFFFAOYSA-N	312.329	1.421	50	20	DDGD	
COc1cccc([C@H](C)NCC(=O)NNC(=O)C(C)(C)C)c1	774858252	XCPFYPYXTNAZCA-NSHDSACASA-N	307.394	1.539	50	20	DDGD	
CSc1ccccc1CC(=O)NNC(=O)c1ccncc1	777275031	OGCDMMBHXFWFHN-UHFFFAOYSA-N	301.371	1.807	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2ncoc2C)nc1C	778437001	ZVMNFNCEFNACGC-UHFFFAOYSA-N	305.294	1.015	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1c(C)nn(C(C)C)c1C	872402549	HRBACNYTYGXZAS-UHFFFAOYSA-N	310.398	1.584	50	20	DDGD	
CCS[C@H]1CCC[C@@H](NC(=O)NNC(=O)c2cn[nH]c2)C1	875343302	VQHZPOTUPGWULX-MNOVXSKESA-N	311.411	1.418	50	20	DDGD	
C[C@H]1C(=NNC(=O)c2cccnn2)CCN1Cc1ccccc1	1119358489	YJXCHZLBQZJWNR-ZDUSSCGKSA-N	309.373	1.857	50	20	DDGD	
C#C[C@H](NC(=O)NNc1cccc([N+](=O)[O-])c1C)[C@H]1CCCO1	776228090	OIKJVMXUHDVTRR-SMDDNHRTSA-N	318.333	1.710	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCC[C@H]1Cc1ccccc1	779816473	BEYPMTURJCUTPA-ZDUSSCGKSA-N	303.362	1.857	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc([N+](=O)[O-])c1C	771892648	FDMMOKSETIGJQE-SECBINFHSA-N	323.305	1.006	50	20	DDGD	
CS[C@@H](C)CCC(=O)NNC(=O)COc1ccccc1F	773180625	AKUIIQYLZFRAQZ-JTQLQIEISA-N	314.382	1.884	50	20	DDGD	
CSc1ccsc1C(=O)NNC(=O)C1CCOCC1	883063491	QRAPNWUQEWWSPW-UHFFFAOYSA-N	300.405	1.658	50	20	DDGD	
C[C@@H](Cc1ccsc1)NC(=O)NNC(=O)C1CCOCC1	883176783	JXSAQPPCVJBKCK-JTQLQIEISA-N	311.407	1.436	50	20	DDGD	
COCCN(Cc1ccc(C)o1)S(=O)(=O)CCCCl	881986895	SXWZEIOMEXIAGF-UHFFFAOYSA-N	309.815	1.995	50	20	DDGD	
CC[C@@H]1C[C@H](CC(=O)NNC(=S)N[C@@H](C)C2CC2)CCO1	781697630	OTEDHJSWKDXITE-DMDPSCGWSA-N	313.467	1.876	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCCO[C@H]1CCOC1	885737708	LXPAXUIIXMIBGB-GLNPCMGASA-N	304.321	1.654	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1cccc2c1OCCO2	784764005	SHEIWUQAVCLZPW-UHFFFAOYSA-N	313.313	1.540	50	20	DDGD	
C#CCCCC(=O)NNC(=O)/C=C\c1ccc2c(c1)OCO2	887139130	BWDTZBSQJAAASD-CLFYSBASSA-N	300.314	1.379	50	20	DDGD	
CSC1(CNC(=O)NNC(=O)c2cccc(C#N)c2)CCC1	789290602	ZFYNDCWXMURBHA-UHFFFAOYSA-N	318.402	1.788	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](CC(C)C)N1CCCCC1=O	887145352	AIEXTQNNCZEXQD-CQSZACIVSA-N	321.421	1.365	50	20	DDGD	
C=CCC1(C(=O)NNc2ccccc2S(N)(=O)=O)CCC1	788223115	FQFLPWWSUXTBCX-UHFFFAOYSA-N	309.391	1.524	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ccc(OC)nn1	780729984	IDURQJPNZQARHF-UHFFFAOYSA-N	302.290	1.029	50	20	DDGD	
CCOc1ccc(NC(=O)C(=O)NNc2ncc(F)cn2)cc1	784949511	FJZFQXFVGIPAJY-UHFFFAOYSA-N	319.296	1.096	50	20	DDGD	
C[C@@H](CN1CCOCC1)C(=O)NN=C1CCc2cc(O)ccc21	780200334	GANNXUOCQPGJCP-LBPRGKRZSA-N	317.389	1.127	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=S)NC(C)(C)C	899995050	FGPOOANWNIFONI-MNOVXSKESA-N	301.456	1.876	50	20	DDGD	
Cc1ccc([C@@H](C)[C@H](O)C(=O)NNC(=S)NC(C)(C)C)cc1	899996479	MWEFUWGXCKKZHR-YPMHNXCESA-N	323.462	1.753	50	20	DDGD	
CO[C@@]1(C)C[C@H](NS(=O)(=O)CBr)C1(C)C	782461359	QDPTUUZKEUYMLD-CBAPKCEASA-N	300.218	1.462	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@H]1CCN(c2ccccc2)C1	899997311	PCOQOUAZZKWRNA-GFCCVEGCSA-N	320.462	1.807	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	785410024	QELJNYZPVXDENT-IMSYWVGJSA-N	323.315	1.473	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)c1cccn2c(O)nnc12	780992361	QQNAVYBRCWTNHG-UHFFFAOYSA-N	305.244	1.470	50	20	DDGD	
COc1cc(C=NNC(=O)C2CCC2)ccc1OCCC(=O)O	783841319	AEUSMZUTWCRTCR-UHFFFAOYSA-N	320.345	1.799	50	20	DDGD	
CC(C)N1CCC[C@@H]1C(=O)NNc1nc(O)c2ccccc2n1	896419179	VHYZMDNLRWHONL-CYBMUJFWSA-N	315.377	1.651	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)C(C)(C)C)C[C@@]2(CCCOC2)O1	796548993	FDPXBEFTTOKKOU-XHDPSFHLSA-N	313.398	1.043	50	20	DDGD	
CC[C@H](C)[C@H](OC)C(=O)NNC(=O)c1ccc(Cl)cc1O	794992112	UVFADVDLZONVLY-UFBFGSQYSA-N	314.769	1.868	50	20	DDGD	
Cc1nn(C)c(/C=C(/C#N)C(N)=C(C#N)C#N)c1Br	790599986	ABDINGQFOXCIHA-BAQGIRSFSA-N	317.150	1.658	50	20	DDGD	
CCOc1cccc(C(C)=NNC(=O)N2CCN(C)CC2)c1	790182422	VDHCHYFNIWFIPX-UHFFFAOYSA-N	304.394	1.766	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNc1ccc(C(F)(F)F)nn1	793730865	YKDIHGHWKPFXBI-XCBNKYQSSA-N	306.288	2.000	50	20	DDGD	
CSSCCNC(=O)N[C@H](C)CCS(C)(=O)=O	790779175	PMOMKBLVWGTDOM-MRVPVSSYSA-N	300.471	1.120	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)c2ccc(C#N)cc2)cn1C	790165943	YUBBUIPMAVMGPN-UHFFFAOYSA-N	310.313	1.447	50	20	DDGD	
CCOC(=O)[C@@H](CC)S[C@H](C)C(=O)NNC(=O)CC(C)C	794429405	WAIMKOGGMRCNKW-GHMZBOCLSA-N	318.439	1.643	50	20	DDGD	
CN1CCN(C(=O)NN=Cc2coc(-c3ccccc3)n2)CC1	790173139	ASMZTGQSMRMTDU-UHFFFAOYSA-N	313.361	1.633	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)C3=CCOCC3)cc2C1	792825848	BYTLYSCCCJGHEM-SNVBAGLBSA-N	320.414	1.981	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cncc(OCC(F)F)c1	1319286716	IZNQJUBPCWPRPY-UHFFFAOYSA-N	317.292	1.895	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2Cl)CCO1	1319726519	IQNFPNZPWJQMIH-NXEZZACHSA-N	311.769	1.852	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1c[nH]cc(Cl)c1=O	1322718219	YWEXUTQDFWRUTA-UHFFFAOYSA-N	321.720	1.572	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCCc2ccco2)cc1	1328712141	PQOLTDYKPDNOIZ-UHFFFAOYSA-N	317.345	1.865	50	20	DDGD	
CCn1cc(C(=O)NNc2cccnn2)c(C(F)(F)F)n1	1322536625	HETUCFYUGVWVAJ-UHFFFAOYSA-N	300.244	1.469	50	20	DDGD	
Cn1cncc1CCC(=O)NNc1ccc(C(C)(C)C)nn1	1321290085	QLBWERZXIQHMRH-UHFFFAOYSA-N	302.382	1.584	50	20	DDGD	
CO[C@H](CNS(=O)(=O)CBr)C1CCCC1	692934315	NWTPYHAADIBDTJ-SECBINFHSA-N	300.218	1.463	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](C)c1ccc(F)c(F)c1	1322070584	CTCVEIFCTWYYFO-ZETCQYMHSA-N	308.288	1.561	50	20	DDGD	
COc1cc(C(=O)NNc2cncc(Br)c2)on1	1320416688	YORFSXCTIAAMAN-UHFFFAOYSA-N	313.111	1.598	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNCC(F)(F)C(F)(F)F)o1	1331819724	CNOGXQIBOUNHSA-UHFFFAOYSA-N	316.182	1.498	50	20	DDGD	
C[C@H](OC1CCCCC1)C(=O)NNC(=O)Cc1ccncc1	1339850511	BKKJESMHIUWVGL-LBPRGKRZSA-N	305.378	1.509	50	20	DDGD	
CCCN1CCC[C@@H](C(=O)NNC(=O)c2ccc(OC)cc2)C1	1332047655	KDOMSFMQWFCSFT-CQSZACIVSA-N	319.405	1.578	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21	1347550372	WVKZWZSOTYLZDD-WDNDVIMCSA-N	323.437	1.655	50	20	DDGD	
COC(=O)c1cc(CNS(=O)(=O)CCCCl)oc1C	1349766912	OJMDQLMOSXTCPH-UHFFFAOYSA-N	309.771	1.423	50	20	DDGD	
CCn1nc(C)c(C(=O)OC[C@]2(C)C[C@H]2Br)n1	1344046458	APRRSXUUHZVKTJ-KCJUWKMLSA-N	302.172	1.937	50	20	DDGD	
CCOCCOCCNC(=O)NNc1cc(Cl)ccn1	1344557333	LRMMQGFVSUHGKQ-UHFFFAOYSA-N	302.762	1.414	50	20	DDGD	
COc1ccc(C(=O)NNS(=O)(=O)CCC(C)(C)C)cc1	1343572731	PSQOBSVLUSGVSU-UHFFFAOYSA-N	314.407	1.696	50	20	DDGD	
Cc1nn2c(C=NNC(=O)C3CCOCC3)c(C)nc2s1	1353089234	DPWBVFXMISZAMA-UHFFFAOYSA-N	307.379	1.284	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@H]1CC[C@H](C(=O)O)CC1	1600575916	VMMHBPYODQQYCA-JOCQHMNTSA-N	318.373	1.576	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@H](CCC(=O)O)Cc1ccccc1	1609789335	KMKRRAKOXLNFGS-CYBMUJFWSA-N	321.377	1.449	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNc2ccc(CC(=O)O)cc2)c[nH]1	1600065576	MMZSZRMQVIUPSG-UHFFFAOYSA-N	301.302	1.067	50	20	DDGD	
Cc1cccnc1NNC(=O)N[C@@H](C)c1ncc(C(=O)O)s1	1607890315	DQJVFCXRDLCUQV-QMMMGPOBSA-N	321.362	1.932	50	20	DDGD	
O=C(O)C[C@@H]1CSCCN1S(=O)(=O)CCCCCl	1601967378	FWBKRRSXXSGQBB-SECBINFHSA-N	315.844	1.227	50	20	DDGD	
CC1(C)OC[C@@H]2C[C@@]21C(=O)NNc1ccc(C(=O)O)c(F)c1	1604561072	YVMMICSHXKZGCZ-AYVTZFPOSA-N	308.309	1.782	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=Cc1ccc(C(=O)O)o1	1601125779	PCGRNRVXGMMETM-UHFFFAOYSA-N	313.269	1.379	50	20	DDGD	
O=C(NCc1ccnc(F)c1)NNc1cccc(C(=O)O)c1	1608472577	KWRUSULRRCQAHV-UHFFFAOYSA-N	304.281	1.745	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1C[C@@H]2C=C[C@H]1CC2	1606861422	AMCUSIGVARDELR-UHIISALHSA-N	310.361	1.912	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)Nc1cc(C(=O)O)ccn1	1601562293	XXFKJOOASVMTDL-UHFFFAOYSA-N	308.685	1.372	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)CC(C)C)ccc1C(=O)O	1610302654	YQEKTDIGFOOTSJ-UHFFFAOYSA-N	309.322	1.592	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNC(=O)[C@@H]2CCCS2)c(F)c1	1610823272	GLAUARZAKGTDBZ-JTQLQIEISA-N	312.322	1.181	50	20	DDGD	
CCc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)cc1	1549314606	JGNOEJIBJKKAGW-HZPDHXFCSA-N	301.390	1.562	50	20	DDGD	
C=CCCC[C@H](N)C(=O)NNc1nc(O)c2ccccc2n1	1574908370	LCZFOBZYVFMYKA-NSHDSACASA-N	301.350	1.462	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)C[C@@H](N)C(C)(C)C)c1	1579581334	OOSZDZIPZVPBNG-CQSZACIVSA-N	321.421	1.593	50	20	DDGD	
CC#CC[C@H](N)C(=O)NNc1ncccc1C(=O)OC(C)(C)C	1574971809	IYRBEZRQLJWUIT-LBPRGKRZSA-N	318.377	1.221	50	20	DDGD	
CCCNNC(=O)[C@H]1CC(=O)N(CC)[C@@H]1c1cccc(C)c1	1577574651	LAWRHQQTMSNRNR-GOEBONIOSA-N	303.406	1.935	50	20	DDGD	
O=C(NN=c1cc[nH]c2cccnc12)[C@@H]1CNc2ccccc21	1580739779	NPSVDGXHVDLRMQ-GFCCVEGCSA-N	305.341	1.704	50	20	DDGD	
C[C@@H]1CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C[C@@H]1C(=O)O	1589337213	SWXXAUYLFBCFDG-FAJIVVBTSA-N	314.341	1.868	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)Nc1nc2n(c1C(=O)O)CCC2	1589740758	GKJNEJFYBZGFFX-UHFFFAOYSA-N	323.353	1.116	50	20	DDGD	
O=S1(=O)C[C@@H](I)[C@H](OCC2CC2)C1	158084847	XYESYBHZRNFPGR-HTQZYQBOSA-N	316.160	1.014	50	20	DDGD	
Cc1n[nH]cc1C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843364770	CGKCWZYYWMPEOL-JTQLQIEISA-N	314.748	1.070	50	20	DDGD	
CC1(C)CCC[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cn1	1590095962	NZJPADBHZCKDOK-JTQLQIEISA-N	301.354	1.531	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNc2ccc(CC(=O)O)cc2)[C@@H]1C	1594636864	XWOCVLZYTOPREF-JNIYBQFBSA-N	306.362	1.816	50	20	DDGD	
CC(C)(C)c1n[nH]cc1C(=O)NNc1ccc(C(=O)O)cn1	1590537667	ZYOYGCOYWDCLFY-UHFFFAOYSA-N	303.322	1.557	50	20	DDGD	
C[C@@H]1CCN(C(=O)/C(C#N)=C\c2cnn(C)c2)[C@@H](C(=O)O)C1	1594396665	ZWPVOLISNVIKBF-PMLKFVNJSA-N	302.334	1.039	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2ccc(-c3nn[nH]n3)c(C)c2)n1	1592220508	DSUIOLSTOWQYRE-UHFFFAOYSA-N	321.344	1.642	50	20	DDGD	
Cc1ccccc1NNC(=O)c1cc(O)cc(-c2nn[nH]n2)c1	1592258681	DBGMMFOMODSPLY-UHFFFAOYSA-N	310.317	1.638	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNc2ncnc3[nH]cnc23)c1	1594288564	XJMKNAWQSOCNBN-UHFFFAOYSA-N	312.289	1.116	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2ccccc2F)c(OC)c1	15794789	KVLPBIRQVVISPR-UHFFFAOYSA-N	318.304	1.918	50	20	DDGD	
CN1CC[C@H](NC(=O)NNc2ccc(C(C)(C)C)cc2)C1=O	163191443	AWJMJMHHYATEEV-ZDUSSCGKSA-N	304.394	1.841	50	20	DDGD	
Nc1nccnc1C(=O)NNc1ccccc1Br	153607486	ANRKSOZVJOJIER-UHFFFAOYSA-N	308.139	1.578	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccccc2N(C)C)n1	154584945	MATOEEPMTHIQSY-UHFFFAOYSA-N	302.338	1.700	50	20	DDGD	
Cc1nc(C)c(S(=O)(=O)NNC(=O)OC(C)(C)C)s1	274056569	HTSKASZCTMFPDZ-UHFFFAOYSA-N	307.397	1.478	50	20	DDGD	
CC(C)CNC(=S)NNC(=O)c1cn(C)c2ccccc12	6512741	VRCAIWZSCDDDOW-UHFFFAOYSA-N	304.419	1.943	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc2c(F)cccc2[nH]1	109860527	XDXJNUYPZQBIPT-UHFFFAOYSA-N	301.281	1.413	50	20	DDGD	
CN(NC(=O)CNC(=O)COc1ccccc1)c1ccccc1	8358048	BITOKVDSWDYLET-UHFFFAOYSA-N	313.357	1.349	50	20	DDGD	
N#Cc1ccc(NCC(=O)NNC(=O)c2ccccc2O)cc1	50026368	UATBPNFEJGGSJC-UHFFFAOYSA-N	310.313	1.137	50	20	DDGD	
COC[C@H](C)OC(=O)/C(C#N)=C/c1cccc2c1OCCO2	54801844	AMGFQDNMEYMDSW-ZWSXMNCCSA-N	303.314	1.943	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CC[C@H]2CCOC2)cc1	177615231	IOJUHJULYJVDIR-ZDUSSCGKSA-N	306.362	1.338	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)Nc2cccnc2)nc2ccccc21	53250090	LJSJIZHZPHOFTE-UHFFFAOYSA-N	324.344	1.364	50	20	DDGD	
Cc1sc(=O)n(CCC(=O)NNC(=O)CC(C)(C)C)c1C	115729557	LXHRFXKKSLHNEL-UHFFFAOYSA-N	313.423	1.500	50	20	DDGD	
CCCN(CCC)CCCC(=O)NNC(=O)c1cnn(C)c1	117820293	KVYZSHPPQYBCGY-UHFFFAOYSA-N	309.414	1.083	50	20	DDGD	
ICCN1CCCC[C@@H]1C1OCCO1	759362799	MKTSBRJFOOBKCJ-SECBINFHSA-N	311.163	1.649	50	20	DDGD	
N#CCCCCNC(=O)NNC(=O)c1cccc2ncccc12	171734592	YOBHBRKYMAMICS-UHFFFAOYSA-N	311.345	1.873	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(Br)ccc1O	28814060	CSDDRYWYGGZKCW-UHFFFAOYSA-N	303.112	1.546	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)NCc2ccc(Cl)cc2)[nH]n1	112729399	RGOGNCOWZUTRMG-UHFFFAOYSA-N	321.768	1.770	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)CCc2cccnc2)cc1	26694616	NJZJXZBAKKTENC-UHFFFAOYSA-N	324.340	1.112	50	20	DDGD	
O=C(NNc1nc2ccccc2c(=O)[nH]1)c1cc(C2CC2)[nH]n1	176782483	PUOQVTJWMIYTEU-UHFFFAOYSA-N	310.317	1.281	50	20	DDGD	
CCOCC(=O)NNC(=O)NCc1ccc(C(F)(F)F)cc1	66698314	KEQFQJDWCYEGJO-UHFFFAOYSA-N	319.283	1.572	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)o1	127448274	BBBLMSMYXOQHTB-ONGXEEELSA-N	306.366	1.157	50	20	DDGD	
O=C(CNC(=O)c1ccccc1)NNc1nnc(C2CC2)s1	184486561	QLVCHNGCGAACRA-UHFFFAOYSA-N	317.374	1.289	50	20	DDGD	
COCCc1ccccc1NC(=O)NNC(=O)c1cc(C)n[nH]1	189592249	IZJCISUAUBBXCO-UHFFFAOYSA-N	317.349	1.374	50	20	DDGD	
C[C@@H]1C[C@@H](C)CN(CCCNC(=O)NNc2cccnn2)C1	77347848	SZLGIULXBLUUNU-CHWSQXEVSA-N	306.414	1.471	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)C(C)(C)C)[nH]c(C)c1C(=O)OC	77220758	WNUYYTCLUJXDLF-UHFFFAOYSA-N	323.393	1.869	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)c1ccc2ncsc2c1	186132253	DEMLAHUISCPIBQ-UHFFFAOYSA-N	301.331	1.023	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2ccnc(OCC(F)F)c2)n1	128766761	LSTUVPMDUWHUKG-UHFFFAOYSA-N	323.303	1.889	50	20	DDGD	
Cc1ccc(NNC(=O)CNC(=O)COc2ccccc2)cc1	124107096	ZGUXSMRUHKKMAO-UHFFFAOYSA-N	313.357	1.633	50	20	DDGD	
Cc1cnccc1NC(=O)NNC(=O)c1cccc(N(C)C)c1	183445777	VHAKVOLZXTVGPJ-UHFFFAOYSA-N	313.361	1.923	50	20	DDGD	
CNC(=O)NNC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1	126691379	OXJOSPVNUHDGQW-NXEZZACHSA-N	312.167	1.513	50	20	DDGD	
COc1cc(/C=C(\C#N)S(=O)(=O)NC2CC2)cc(OC)c1	188033872	VXPFTVUSOSTJJS-VGOFMYFVSA-N	308.359	1.650	50	20	DDGD	
O=C(NNC(=O)c1ccc(-n2ccnc2)cc1)c1ccncc1	192770676	ZOZFNMWBAQKYME-UHFFFAOYSA-N	307.313	1.342	50	20	DDGD	
CC(C)Cn1ncc2cc(C(=O)NNc3ncccn3)cnc21	131728422	HIEBJNKYKXCGII-UHFFFAOYSA-N	311.349	1.634	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccc(Br)c(F)c1	49397953	YKFLIZMDIUWWQS-UHFFFAOYSA-N	301.115	1.759	50	20	DDGD	
CC(=O)N1CC(C(=O)NNc2cc(C(F)(F)F)ccc2F)C1	191937906	CLUXZRZJXXFBGW-UHFFFAOYSA-N	319.258	1.766	50	20	DDGD	
O=C(CNC(=O)c1cc(F)cc(F)c1)NNc1ccc(F)cc1	98093087	NFMLZXFBFIURFM-UHFFFAOYSA-N	323.274	1.977	50	20	DDGD	
CCc1ocnc1C(=O)NNC(=O)c1cccc(N(C)C)c1	265675081	AKOPOASDDJZMIJ-UHFFFAOYSA-N	302.334	1.378	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)CNc2ccccc2OC)O1	268201796	GHQFNWKYSHUWJK-SMDDNHRTSA-N	321.377	1.212	50	20	DDGD	
CCCCN(C)S(=O)(=O)NNC(=O)c1ccccc1F	265020601	QSAJIJVKBHRYTB-UHFFFAOYSA-N	303.359	1.037	50	20	DDGD	
CCCCc1ccc(NC(=O)C(=O)NNC(=O)C2CC2)cc1	274077474	QKYGEPRRVJHOAO-UHFFFAOYSA-N	303.362	1.525	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)c2c[nH]c3ccccc23)CCO1	272078066	MIPLAQFLVUKMIH-MNOVXSKESA-N	301.346	1.744	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@H](C)[C@H]1CCCCO1	271996054	CKIXXVUKWUCHTN-TZMCWYRMSA-N	305.378	1.897	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1CCN(c2cccc(OC)c2)C1	271963470	UWMOOWACZVOLNQ-XTZCOPOCSA-N	315.373	1.834	50	20	DDGD	
CSSCCNC(=O)N1CCO[C@@]2(CCO[C@H]2C)C1	375127942	JKLNTDQBVPESHI-JQWIXIFHSA-N	306.453	1.587	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1ccc(C)c2ncccc12	274375804	RJPLCSWHFUDGRC-UHFFFAOYSA-N	322.390	1.398	50	20	DDGD	
CC1(C)CCC[C@H]1C(=O)NNC(=O)COc1ccccc1O	274653027	GSAYECPOFGONFQ-NSHDSACASA-N	306.362	1.745	50	20	DDGD	
COC[C@H]1CN(C(=O)[C@H](Br)C(C)(C)C)CCO1	378591998	QVGQFCOLNPVNLY-ZJUUUORDSA-N	308.216	1.670	50	20	DDGD	
COCCN(C)NC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O	288458355	JUGBVMDWAMYANF-INIZCTEOSA-N	317.389	1.560	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@@H]1C[C@H]1c1cccnc1	376438205	WFYBVVMZJOGVHV-UONOGXRCSA-N	309.373	2.386	50	20	DDGD	
COCCN(C)NC(=O)c1ccc(N2CCC(C)CC2)nc1	288326253	DOZBWJSPWMDIRJ-UHFFFAOYSA-N	306.410	1.541	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1cn(C)nc1C1CCCCC1	281336915	ULRJMHUOWVMTOD-UHFFFAOYSA-N	321.450	1.763	50	20	DDGD	
CC(C)(C)OC(=O)NCCNC(=O)NNc1cccc(F)n1	287667447	DCLYNEUTFVWCJR-UHFFFAOYSA-N	313.333	1.372	50	20	DDGD	
CCC[C@@](C)(CC)C(=O)NNc1nccc(N2CCOCC2)n1	281420960	IOXHXIJNRSGSJP-MRXNPFEDSA-N	321.425	1.973	50	20	DDGD	
COc1ccc([C@H](C)NC(=O)NNC(=O)[C@@H]2CCCO2)cc1	291793183	IYCWNYLKDXILFF-GWCFXTLKSA-N	307.350	1.266	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCOc1cccc(OC)c1	294217995	CRKKXFWEWYTJFD-UHFFFAOYSA-N	309.391	1.145	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NCC2CCCC2)c1	298674637	LCPOCTXNAZPFDG-UHFFFAOYSA-N	304.394	1.887	50	20	DDGD	
CCOC(=O)c1cc(C(=O)NNc2nccnc2OC)[nH]c1C	294988562	QAFUPAZREBQWII-UHFFFAOYSA-N	319.321	1.055	50	20	DDGD	
CC(=O)C1(C(=O)NNC(=O)CSc2ccccc2O)CC1	294646757	RYAOCXKDHRCQKW-UHFFFAOYSA-N	308.359	1.001	50	20	DDGD	
O=C(Cc1cc(F)c(F)cc1F)NNC(=O)N=c1cc[nH]cc1	802030029	YSKWTNYPWVHBSW-UHFFFAOYSA-N	324.262	1.316	50	20	DDGD	
COc1cc(F)cc(NNC(=O)COCc2ncc(C)o2)c1	802832357	LDDHXICNYRYRHD-UHFFFAOYSA-N	309.297	1.791	50	20	DDGD	
COCCN(C)NC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C	808073554	NHGBUBUPEILFOG-UHFFFAOYSA-N	311.382	1.420	50	20	DDGD	
CN(C)Cc1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)cc1	295338125	HSRUOHGEYZEYLG-CQSZACIVSA-N	305.378	1.078	50	20	DDGD	
O=C(CCc1ccc(F)cc1F)NNC(=O)[C@@H]1CCCCO1	295338160	HTTXGZXPIZPTKA-ZDUSSCGKSA-N	312.316	1.614	50	20	DDGD	
CCOc1ncc(C)cc1NC(=O)NNC(=O)c1cc(C)n[nH]1	297323345	HUODLUZJIVNFMW-UHFFFAOYSA-N	318.337	1.287	50	20	DDGD	
C[C@H](Cc1cnc2ccccc2n1)C(=O)NNC(=O)N(C)C	293027684	RFZLEDUKQKRAGC-SNVBAGLBSA-N	301.350	1.111	50	20	DDGD	
CC/C=C/CNC(=O)NNC(=O)CSc1ccccc1O	298498636	RBCWHICRYCIWMR-ZZXKWVIFSA-N	309.391	1.781	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)Nc2ccccc2)CCC1	801989459	UKCAPDPJXBYMSO-UHFFFAOYSA-N	305.334	1.573	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1cnc(C(C)(C)C)nc1	814865580	UHVHMJXGGKJPDF-LLVKDONJSA-N	308.382	1.276	50	20	DDGD	
CC[C@@H](C)Oc1cc(C(=O)NNC(=O)c2ccnnc2)ccn1	817693656	TZUJXIDHFKAKHR-SNVBAGLBSA-N	315.333	1.124	50	20	DDGD	
COC[C@@H](C)[C@H](C)C(=O)NNC(=O)c1cccc(N(C)C)c1	812445240	OCXKKBALPXWPTQ-NEPJUHHUSA-N	307.394	1.432	50	20	DDGD	
CN(NC(=O)c1cccc(C(=O)NN(C)C2CC2)c1)C1CC1	819650108	FRTRBKDJIYDIAC-UHFFFAOYSA-N	302.378	1.165	50	20	DDGD	
N#Cc1ccsc1NC(=O)C(=O)NNc1ccc(F)cc1F	815588445	OGHTVMPBVBLUHG-UHFFFAOYSA-N	322.296	1.980	50	20	DDGD	
Cc1cc(O[C@@H](C)C(=O)NNc2cnnn2C)ccc1Cl	816772132	OHZJVZATIZFBIV-VIFPVBQESA-N	309.757	1.688	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCc2nn[nH]c21)c1c[nH]c2ccccc12	816829691	AQRDIVKAOFXWQW-SNVBAGLBSA-N	324.344	1.167	50	20	DDGD	
N#Cc1ccc(NC(=O)C(=O)NNc2ncccc2F)cc1F	810412351	DKOUDYMBUIRMDF-UHFFFAOYSA-N	317.255	1.313	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCCCc2ccc(N)cc21	817326376	QEKFJGYDMMAOSR-UHFFFAOYSA-N	304.350	1.172	50	20	DDGD	
CC[C@@H](C)C(=O)NN=Cc1ccc(Cl)c(S(N)(=O)=O)c1	814808086	BDXHIMWISMPXBH-MRVPVSSYSA-N	317.798	1.484	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@@H]1CCN(c2ccccc2F)C1	813854245	WAEVNXPDJYQMGO-LLVKDONJSA-N	308.357	1.391	50	20	DDGD	
O=C(NNc1cccc(Cl)n1)c1cnc(O)c([N+](=O)[O-])c1	817005818	JMWCQCNTXIHTIB-UHFFFAOYSA-N	309.669	1.501	50	20	DDGD	
CCc1ccc(C#CC(=O)NNC(=S)NCCSC)cc1	815915389	NDXQWQGVPIBCDO-UHFFFAOYSA-N	321.471	1.459	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@](C)(O)c1ccc(Cl)cc1	815114447	RMGQKBDLTUFNIS-AWEZNQCLSA-N	313.785	1.678	50	20	DDGD	
COc1cc(C(C)=NNC(=O)c2ccc(OC)c(OC)c2)on1	814700473	UDBGVBDVWWLLKD-UHFFFAOYSA-N	319.317	1.854	50	20	DDGD	
COc1ccnc(NNC(=O)[C@](C)(O)c2ccc(Cl)cc2)n1	814977636	WCUYYTSGDOHCMD-CQSZACIVSA-N	322.752	1.489	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)CCc1ccccc1)n1cccn1	819209433	YDBWTBSAPBWFAB-CYBMUJFWSA-N	300.362	1.614	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ncc(CSC)s1	814865707	XBUZMXGAYCEWTJ-SECBINFHSA-N	317.436	1.508	50	20	DDGD	
COc1cc(C=NNC(=O)Cc2cccnc2)cc(O)c1O	728784185	ALMNMWNGVUTITF-UHFFFAOYSA-N	301.302	1.194	50	20	DDGD	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NN(C)[C@H](C)CO	823987663	KPJWEFPAPSUXIY-ZJUUUORDSA-N	313.379	1.419	50	20	DDGD	
Cc1nc2n(n1)C[C@H](NC(=O)NNc1ccc(F)cc1)CC2	727228198	ATZSZJPZJLHCEN-GFCCVEGCSA-N	304.329	1.367	50	20	DDGD	
Cc1nc(NC(=O)NNc2nc(-c3ccncc3)no2)oc1C	726874703	OAZQTXPBVDGSLL-UHFFFAOYSA-N	315.293	1.885	50	20	DDGD	
COc1ccc([C@H](C)NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	825808391	VKGVZFPTXYNPTD-MJVIPROJSA-N	321.377	1.512	50	20	DDGD	
CCCc1noc2nc(CC)cc(C(=O)NN(CC)CCO)c12	823885152	YEPMOKOVYNLLBM-UHFFFAOYSA-N	320.393	1.697	50	20	DDGD	
CN(C)CCN(CC(=O)O)C(=O)[C@H](Br)C(C)(C)C	820539878	ZMWDGKDMPFCPNF-JTQLQIEISA-N	323.231	1.271	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)/C=C/c2ccccc2C#N)c1	728828169	JIRSTBLLSLMGFH-CMDGGOBGSA-N	316.320	1.904	50	20	DDGD	
CN(NS(=O)(=O)c1cn(C)c(Cl)n1)C(=O)OC(C)(C)C	497040882	YNAPZCGQFVWPIF-UHFFFAOYSA-N	324.790	1.134	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)/C=C\c1ccc2[nH]ccc2c1	492316611	HVCBPGZFAWXEMX-ALCCZGGFSA-N	308.341	1.981	50	20	DDGD	
Cc1cccc(C[C@@H](NC(=O)c2cccc(B(O)O)c2)C2CC2)c1	584948932	CLIHRMMRBMGDOR-GOSISDBHSA-N	323.201	1.426	50	20	DDGD	
Cc1ccc([C@H](C)N(C)C(=O)c2cccc(B(O)O)c2)c(C)c1	584928059	MTRNGODBGPUAPS-AWEZNQCLSA-N	311.190	1.816	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H](C)Oc1cccc2ccccc12	821217383	IJJULLVOALYAMY-STQMWFEESA-N	302.374	1.951	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NN(C)[C@@H](C)CO	823917998	PPXZHJZHSMBYJI-RYUDHWBXSA-N	317.430	1.366	50	20	DDGD	
Cc1cc(C)c(CNCc2ccc(B(O)O)cc2F)c(C)c1	585019535	NPMPSIVYBBXZMX-UHFFFAOYSA-N	301.170	1.721	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cc2n(n1)CCCC2	825786166	JUUBHSKSSUGMGO-UHFFFAOYSA-N	314.345	1.303	50	20	DDGD	
CCC/C=C\C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	736439515	QSXWTDCPWVQFAJ-SREVYHEPSA-N	305.342	1.778	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cc2n(n1)CCCC2	826999523	UFKXOSJNLYKCJF-UHFFFAOYSA-N	301.306	1.885	50	20	DDGD	
Cc1c(Cl)cccc1OCC(=O)NNC(=O)c1ccc[nH]1	736067320	MJHZUEJYRUSXED-UHFFFAOYSA-N	307.737	1.817	50	20	DDGD	
CSCCCCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	739485259	OLJPUEJIORTIID-LLVKDONJSA-N	308.469	1.012	50	20	DDGD	
C=CCC[C@@H](CO)NC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	491127085	AGXUODSYRPXUSS-GSHXUFRSSA-N	312.373	1.555	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=S)Nc1ccc(C(N)=O)cc1	490947389	LWIKUHJKMFFMFG-UHFFFAOYSA-N	310.379	1.512	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)CCc1ccc(Cl)cc1	496115727	RUKYXPYWDRGJDQ-UHFFFAOYSA-N	306.771	1.415	50	20	DDGD	
CCOc1ccc(NNC(=O)NC[C@@H]2CCCNC2=O)cc1	838780083	WPUPRUQAOUSURZ-NSHDSACASA-N	306.366	1.238	50	20	DDGD	
CC(C)(C)c1cc(-c2nc(-c3ccc(B(O)O)cc3)no2)[nH]n1	585050997	REJHMNOFZJKCCG-UHFFFAOYSA-N	312.138	1.104	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1CCn2cccc2[C@@H]1C	731848748	KASDQIGSKGGNAG-STQMWFEESA-N	306.410	1.447	50	20	DDGD	
C[C@@H](NS(=O)(=O)CCl)c1ccc(N2CCOCC2)cc1	830200333	FBMPMWASAHEUBU-LLVKDONJSA-N	318.826	1.700	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1coc2ccccc12	901936024	DECFFJULFBIPCV-VHSXEESVSA-N	324.358	1.167	50	20	DDGD	
O=C(NCB(O)O)c1csc(-c2ccc(Cl)s2)n1	585060197	BQBHCFVZNCGDEB-UHFFFAOYSA-N	302.573	1.267	50	20	DDGD	
Cn1cc(/C=C(\C#N)S(C)(=O)=O)c(-c2ccc(C#N)cc2)n1	588394048	RFOOQJNKRQCTTA-VGOFMYFVSA-N	312.354	1.868	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C[C@H]2C[C@H]3CC[C@H]2O3)c1O	839567319	JKPGKHOLHXIYBM-CKYFFXLPSA-N	320.345	1.119	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)C1CCSCC1	732958481	GTIMIJPMIUNFQG-UHFFFAOYSA-N	313.448	1.764	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NC[C@@H]1CC1(C)C	732893380	NDIJVFNRYNLVNG-QWRGUYRKSA-N	323.368	1.970	50	20	DDGD	
C[C@]1(C(=O)NCCc2nnc(S)o2)C[C@H]1Br	907460450	ALOJGEGRCCJOGI-ANLVUFKYSA-N	306.185	1.191	50	20	DDGD	
OB(O)c1cccc(CNC[C@@H]2CCCC[C@@H]2C(F)(F)F)c1	585031046	OWYUIHPDWKZORT-JSGCOSHPSA-N	315.144	1.825	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@]2(C)CCCCO2)c(C)c1	839482839	MWYAQBYKHYAVNP-QGZVFWFLSA-N	319.405	1.822	50	20	DDGD	
C[C@@H]1CCCC[C@H]1CNC(=O)NNC(=O)N=c1cc[nH]cc1	837866568	TVKNIJRXADYFIQ-NEPJUHHUSA-N	305.382	1.666	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCOc3c(Cl)cccc32)cc1	585018961	XXBRCMOMSYXXJS-OAHLLOKOSA-N	317.581	1.633	50	20	DDGD	
Cc1cc(C)c(NC(=O)NNC(=O)[C@@H]2CCCCO2)c(C)n1	836631620	DNYGNXZOVFWCSP-LBPRGKRZSA-N	306.366	1.729	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NN[C@@H](C(=O)O)c1ccccc1	833118529	OXJHSZZICJZFPF-OAHLLOKOSA-N	302.305	1.815	50	20	DDGD	
C[C@@H]1CN(Cc2ccccn2)CCC1=NNC(=O)c1cnccn1	734365292	FOMQDRJIGNHYMV-CYBMUJFWSA-N	324.388	1.499	50	20	DDGD	
C[C@@H]1O[C@H](C)CC1=NNC(=O)COc1ccccc1[N+](=O)[O-]	834927575	NHWWKCVKKAKBLZ-ZJUUUORDSA-N	307.306	1.643	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1cccc2ccccc12)n1cccn1	913000271	XYDRGPYZUZNMFA-ZDUSSCGKSA-N	322.368	1.987	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	831949096	PSMSJHHAYFHQPR-CYBMUJFWSA-N	308.382	1.720	50	20	DDGD	
COc1ccc(OC)c(CC(=O)NNC(=O)C2CCCC2)c1	914843611	PFDAJMDJCCYTPN-UHFFFAOYSA-N	306.362	1.584	50	20	DDGD	
CC[C@H]1CCC[C@@H]1CNC(=O)NNC(=O)Cn1nc(C)cc1C	838651254	WNZSSMPSBKAUBF-UONOGXRCSA-N	321.425	1.657	50	20	DDGD	
COc1nccnc1NNC(=O)[C@]1(C)C[C@H]1Br	910580428	HIVQGZPQTAXMMS-LHLIQPBNSA-N	301.144	1.102	50	20	DDGD	
C[C@H](CCCN)NC(=O)NNC(=O)CCCc1ccccc1	841999610	MHVRGYAOGCANPW-CYBMUJFWSA-N	306.410	1.467	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cc(C(C)(C)C)n[nH]2)n1	747517951	YBYQJJVNLRGUIH-UHFFFAOYSA-N	303.370	1.320	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1c[nH]c2cc(F)ccc12	843649406	UUFYYXLYSKVARN-CABZTGNLSA-N	319.336	1.422	50	20	DDGD	
CNC(=O)NNC(=O)[C@@H](OC)c1ccccc1Br	847383108	ATEPONZYRKMEIG-VIFPVBQESA-N	316.155	1.097	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1)C(F)(F)F	742476551	ANOFNMMCWCYMFB-JGVFFNPUSA-N	322.258	1.939	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H]2CCN[C@@H](C)C2)cc1F	841990064	XXSHVLJBQTWKST-VHSXEESVSA-N	324.356	1.379	50	20	DDGD	
O=C(Cc1coc2cc(F)ccc12)NNC(=O)N1CCOCC1	748528852	BMTNTKWESRCGAJ-UHFFFAOYSA-N	321.308	1.187	50	20	DDGD	
COC(C)(C)C[C@@H](C)NC(=O)NNC(=O)c1cccc(C#N)c1	743588455	XSYCBCSPLSWPPQ-LLVKDONJSA-N	318.377	1.706	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)N[C@@H](CCN)C(F)(F)F	841332544	HFHLYJWIKHETJW-QMMMGPOBSA-N	320.319	1.506	50	20	DDGD	
O=C(NNc1ccc(-n2cccn2)nn1)N[C@@H]1CCCC[C@H]1F	840439059	ITJHFXCDUJVTOC-GHMZBOCLSA-N	319.344	1.569	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H]2C[C@@]23CCOC3)cc1	846378411	XHUPDHHBYATEOQ-XJKSGUPXSA-N	304.346	1.272	50	20	DDGD	
CCn1cncc1C=NNC(=O)[C@H](C)Oc1ccc(F)cc1	841611446	RTUOWAOAOAEWLP-NSHDSACASA-N	304.325	1.960	50	20	DDGD	
C=CCNC(=S)NNC(=O)Cc1ccc2c(c1)CCCO2	843752313	PPNXCYQJDNPTHY-UHFFFAOYSA-N	305.403	1.235	50	20	DDGD	
Cc1ncc2n1C[C@@H](C(=O)NNC(=O)NC1CCCC1)CC2	845321163	JTOMQCSMPFISMH-NSHDSACASA-N	305.382	1.027	50	20	DDGD	
COC/C(C)=C/C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	844290034	ZTHBUSDJBTXQAW-UQSGXBNBSA-N	310.325	1.333	50	20	DDGD	
CC(C)=CCOc1cccc(CC(=O)NNC(=O)CN(C)C)c1	842230875	KKAVHXFYXOJFQE-UHFFFAOYSA-N	319.405	1.283	50	20	DDGD	
CC(C)CONC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	749886149	VCPYJEASDPRYJO-UHFFFAOYSA-N	309.370	1.676	50	20	DDGD	
CC[C@@H](C(=O)NNc1ncc(Br)cn1)N(C)C	848321164	KPRCHXTVJPAVPY-QMMMGPOBSA-N	302.176	1.022	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1C2CC3CC(C2)CC1C3	843649944	XYSSILCOQDQWEO-ROZWMTPISA-N	306.406	1.631	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2CCO[C@@H]2C)cc1F	843278210	YMEPUJNUBGJVBS-KOLCDFICSA-N	311.382	1.877	50	20	DDGD	
Cn1cc(-c2cccc(C(=O)NNC(=O)c3ccc[nH]3)c2)cn1	741663278	HGTBCECURMSGTA-UHFFFAOYSA-N	309.329	1.490	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1nc(C)c(C(=O)OCC)s1	749933187	AYDFKBRFBRYNAD-JXMROGBWSA-N	323.374	1.688	50	20	DDGD	
C[C@]1(CNCc2cnc3n2CCOC3)C[C@@H]1Br	922273570	WZUQIODQKUTQKW-CMPLNLGQSA-N	300.200	1.676	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)COc1ccc(F)c(F)c1	929428355	DIEMGUJHFDJRJM-UHFFFAOYSA-N	317.361	1.637	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)CNC2(C3CC3)CC2)cc1C	754356989	BZKRBYKJBBQDJU-UHFFFAOYSA-N	321.446	1.912	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NN(C)C(=O)OC(C)(C)C)C1	857868777	CAESEYFAWKJWIW-ONGXEEELSA-N	308.382	1.974	50	20	DDGD	
COC(=O)c1cc(C(=O)NNC(=O)c2ccccc2C)ccn1	751188675	NVDKWVGAMNCVTO-UHFFFAOYSA-N	313.313	1.251	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@@]1(c2ccccc2)CNC(=O)C1	854481166	XFEBMGJCVTXURJ-CQSZACIVSA-N	315.200	1.706	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1c(OC)cccc1OC	755759561	FFBWCZUJEIEQDC-NSHDSACASA-N	310.350	1.205	50	20	DDGD	
C[C@H](CNC(=O)NC[C@]1(C)C[C@@H]1Br)N(C)C1CC1	856840505	RCWAVPZISYKTTO-CDMKHQONSA-N	318.259	1.942	50	20	DDGD	
CCOC(=O)NCC(=O)OC[C@@H](CBr)C1CC1	859663351	NLLYOAYMIKBKDV-SECBINFHSA-N	308.172	1.697	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)NC/C=C/CO)c1C	855404152	QNCLQFOWHXTGRQ-HGLKRVRZSA-N	317.389	1.323	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)Cc2ccc(F)cc2)[C@H]1C	858150922	NNTXZWBSOXMYPF-KIGUWFBYSA-N	308.353	1.575	50	20	DDGD	
CN1CCC(CC(=O)NNc2ccc([N+](=O)[O-])cc2F)CC1	855623238	XBVIITPQMGRTAK-UHFFFAOYSA-N	310.329	1.909	50	20	DDGD	
COC(=O)c1cc(NNC(=O)c2c(C)cnn2C)ccc1C	857263916	GVUUQMZVDBDKHQ-UHFFFAOYSA-N	302.334	1.580	50	20	DDGD	
O=C(NC[C@H](O)C1CCCCC1)NNC(=O)c1cccc(F)n1	852711163	MADYSYXHIBEWBA-LBPRGKRZSA-N	324.356	1.106	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1	929241916	GYXWSQHOIDZGRO-VXGBXAGGSA-N	320.374	1.380	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1ccc([N+](=O)[O-])o1	920375107	SCGPYQFFLKXGAC-UHFFFAOYSA-N	303.274	1.889	50	20	DDGD	
CC[C@@H]1C[C@@H](C)CN1CC(=O)NNC(=O)c1cccc(C#N)c1	756545157	QJVNHBICDWNSOZ-IUODEOHRSA-N	314.389	1.440	50	20	DDGD	
CC1=NO[C@H](C(=O)NNc2cc(C#N)ccc2Br)C1	855617168	DJZBVXJWVZAOEG-NSHDSACASA-N	323.150	1.929	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)Nc1cnc(C2CC2)nc1	756372588	QOFPQQCRPMAIKC-UHFFFAOYSA-N	315.308	1.960	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)c1ccccc1OC)[C@H]1CCCO1	756072900	NAXNOTSLBRPRAP-GXTWGEPZSA-N	321.377	1.597	50	20	DDGD	
CCC/C(C)=C\C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855830824	UODLNROAVNYLGN-QXMHVHEDSA-N	311.426	1.823	50	20	DDGD	
Cc1cc2cc(NC(=O)NNC(=O)c3cnccn3)ccc2[nH]1	756393719	UBZCEGRCYBNTBN-UHFFFAOYSA-N	310.317	1.733	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CCCCO2)C1	852594299	BDNSBYJXDJMDGO-MJBXVCDLSA-N	311.426	1.213	50	20	DDGD	
COCCOc1cc(C)ccc1CNC(=O)NNC(=O)C(C)C	755256568	XONMZNJWJQQUDV-UHFFFAOYSA-N	323.393	1.507	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CC12CCC2	759689652	BRIKAEOAEUNAJQ-MNOVXSKESA-N	306.337	1.931	50	20	DDGD	
O=C(C[C@@H]1CC(=O)NC1=O)NNc1cccc2c1CCCC2	935022115	BKYNCKHUOVNMGX-NSHDSACASA-N	301.346	1.061	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cccc([N+](=O)[O-])c2N)n1	759094610	LFZRLNZZDAFUEN-UHFFFAOYSA-N	322.712	1.686	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C2(C#N)CC(C)C2)cc1	767889308	LASMIGFLILYKCN-UHFFFAOYSA-N	315.373	1.715	50	20	DDGD	
COC(=O)c1ccc(/C=C/C(=O)NNC(=O)CC(F)(F)F)o1	869019527	DAXGOKITIGEHJR-HWKANZROSA-N	320.223	1.179	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N1CCOC[C@H]1c1c(C)n[nH]c1C	766061330	UNXQIBFUOMSCSW-FSBNRTBOSA-N	304.350	1.370	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)/C=C/CCc2ccccc2)CC1	868121120	HXJZEATTXBAZMH-UXBLZVDNSA-N	316.405	1.164	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1cnc2[nH]cnc2c1	764075358	XCUKPVJXDHUJGY-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
O=C(CS(=O)(=O)C1CC1)NNc1cccc(F)c1Cl	862508678	WUKMNFZLLYRAPZ-UHFFFAOYSA-N	306.746	1.499	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cc(C2CCOCC2)nn1C	861516878	VKTGLBZHASSBJL-UHFFFAOYSA-N	324.385	1.012	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)cc[nH]1	862512165	MRCLKTZJBWRCCG-WISYIIOYSA-N	315.295	1.611	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=CCC[C@H]1C[C@H]2CC[C@H]1C2	768776755	RZCJXQQTDCRBJY-WOPDTQHZSA-N	318.377	1.749	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CCOc2ccc(F)cc2)n[nH]1	869013391	YQJRJPHHYPIPJW-UHFFFAOYSA-N	320.324	1.016	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C1CCCC1)n1ccc(C(F)(F)F)n1	864844912	HGTPNXYIVJFLNI-MRVPVSSYSA-N	318.299	1.801	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CCc2ccc(F)cc2F)n[nH]1	869014058	CLBIBLRMUBFFRC-UHFFFAOYSA-N	322.315	1.319	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C2CCCOc3ccc(F)cc32)N1	863144674	CWJSBJDQIFQIMD-GFCCVEGCSA-N	305.309	1.097	50	20	DDGD	
O=C(NNc1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1	863078802	NBSOSCTWZVQXHO-SSDOTTSWSA-N	306.746	1.357	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)c1cc2n(n1)CCCO2	762866451	PYZTUVGPYFKBER-UHFFFAOYSA-N	309.329	1.393	50	20	DDGD	
O=C(CN1CC[C@H](c2c(F)cccc2F)C1)NNC(=O)C1CC1	769229505	YBEWVPRVXYJZSM-NSHDSACASA-N	323.343	1.312	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc(C(F)(F)F)c(F)c1	861220665	YXNMHKMRPCUUIS-UHFFFAOYSA-N	322.262	1.559	50	20	DDGD	
O=C(Cn1nc(C(F)F)cc1C1CC1)NNC(=O)c1ccc[nH]1	873833901	DLBLEVXCHCUPAJ-UHFFFAOYSA-N	323.303	1.487	50	20	DDGD	
COc1nc(C)ccc1C(=O)NNC(=O)c1cccc(C#N)c1	776889366	CVMSDTNSZWGSSV-UHFFFAOYSA-N	310.313	1.345	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(Cl)cc1C	772192892	SXINTPZGVXMLLT-SECBINFHSA-N	312.753	1.751	50	20	DDGD	
C[C@@H](CBr)COC(=O)[C@@H](C)CS(C)(=O)=O	770390018	GBMYBNYCSNHSNV-YUMQZZPRSA-N	301.202	1.241	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)N[C@H]1CC12CCC2	876428099	TVTOFPXCDOXXOC-AWEZNQCLSA-N	317.389	1.901	50	20	DDGD	
COC(=O)CNC(=O)NN=C1CCSc2c(F)cccc21	779816595	DAQVAEOFVJCLIG-UHFFFAOYSA-N	311.338	1.498	50	20	DDGD	
CC(C)Oc1ccccc1NC(=O)C(=O)NNc1ncccn1	773720511	AXPBOONASUWXTP-UHFFFAOYSA-N	315.333	1.346	50	20	DDGD	
CCOc1nc(C(=O)NNc2nc(-c3cccnc3)no2)co1	772947110	NONVSZNOAHCPPO-UHFFFAOYSA-N	316.277	1.275	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2cnccc2N(C)C)cc1	776179253	PISKKPJCBIJRCU-UHFFFAOYSA-N	312.373	1.985	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H](CCN(C)C)C(C)(C)C)cc[nH]1	875302454	RCNFVCNHNWVLTP-AWEZNQCLSA-N	307.442	1.804	50	20	DDGD	
Cn1cc(C(=O)C(=O)NNc2cccc(C(F)(F)F)n2)cn1	1116115265	KOQRITBEINEHEX-UHFFFAOYSA-N	313.239	1.160	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)NCCC(C)(C)O)cc1	773698595	KOICDPYZZGPFAN-UHFFFAOYSA-N	323.397	1.249	50	20	DDGD	
COCC(=O)NN=C1CCOc2cc(Br)ccc21	774587870	WPGNRRXSZGFOGJ-UHFFFAOYSA-N	313.151	1.698	50	20	DDGD	
O=C(CO)NN=Cc1cc(Cl)ccc1OC[C@H]1CCCO1	776780883	PPHACKSHUOTQKP-GFCCVEGCSA-N	312.753	1.340	50	20	DDGD	
CCc1c(C(=O)NNc2ccc(C(C)(C)C)nn2)cnn1C	1116090314	ISABVABFCNOVMJ-UHFFFAOYSA-N	302.382	1.827	50	20	DDGD	
CNS(=O)(=O)c1ccc(NC(=O)NNc2ccccn2)cc1	779059549	BURLDHJZERANOT-UHFFFAOYSA-N	321.362	1.138	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@]2(C)CCCCO2)c1	874952346	SBZZXFAYZHSART-INIZCTEOSA-N	317.414	1.945	50	20	DDGD	
Cn1ccc2c(NC(=O)NNC(=O)C3CCOCC3)cccc21	878564064	IURUCGUYMUEBII-UHFFFAOYSA-N	316.361	1.758	50	20	DDGD	
COC(=O)[C@H](C)n1cccc1C=NNC(=O)Cc1ccncc1	774587805	NVROBTORACJLPX-LBPRGKRZSA-N	314.345	1.310	50	20	DDGD	
Cc1nccc(NC(=O)NNC(=O)c2cccc(N(C)C)c2)n1	776495470	DRXYLVOMESBEFZ-UHFFFAOYSA-N	314.349	1.318	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@](C)(O)C(C)C)c1	770208354	IARFPKILBPMGJM-INIZCTEOSA-N	308.378	1.237	50	20	DDGD	
Cc1cccc(C=NNC(=O)C(=O)NC(C)C)c1OC(F)F	777879016	GGPRFKRNNKRKMI-UHFFFAOYSA-N	313.304	1.571	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNc2nccc(OC)n2)cc1	775500529	QVJOMESHKNVUCM-UHFFFAOYSA-N	317.305	1.420	50	20	DDGD	
C[C@@H](C(=O)NNc1c(F)cc(F)cc1F)[C@H](C)S(C)(=O)=O	885151476	FETOZWXORJUMNO-RQJHMYQMSA-N	324.324	1.616	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1cccc2cnccc12	779818060	XZQPIIIEBGKJBB-UHFFFAOYSA-N	300.362	1.984	50	20	DDGD	
CCCNC(=O)NN=C(C)c1ccc(N2CCNC2=O)cc1	782214534	JYPXFXQKGGYBPQ-UHFFFAOYSA-N	303.366	1.649	50	20	DDGD	
Cc1nn(C)c(NC(=O)NNC(=O)CC(F)(F)F)c1Cl	888644804	UHTQBRNKUVEPHO-UHFFFAOYSA-N	313.667	1.487	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](C)n1ccc(C(F)(F)F)n1	887153002	DPXPWFZEFRPBJX-SECBINFHSA-N	316.283	1.414	50	20	DDGD	
COc1cc(C=NNC(=O)C(F)F)ccc1OC(=O)C1CC1	782234978	KGTOCZSZIOCZFO-UHFFFAOYSA-N	312.272	1.726	50	20	DDGD	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NNC(=O)C1CCOCC1	883066981	PSNNVDWOQGSAKC-NWDGAFQWSA-N	308.403	1.734	50	20	DDGD	
O=C(C[C@@H]1OCCc2ccccc21)NNC(=O)C1CCOCC1	883063530	RWQAMHWLICVWFB-HNNXBMFYSA-N	318.373	1.265	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)C(C)C)nn1-c1ccccc1	782607121	FFIXWWPGTFZIIH-UHFFFAOYSA-N	301.350	1.989	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)C2(C(F)(F)F)CCNCC2)n1	1120455349	KCVIPIXSBGWWOF-UHFFFAOYSA-N	317.315	1.469	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1c[nH]nc1C1CC1	789843943	SCPBTNQBTRBLGH-UHFFFAOYSA-N	300.318	1.831	50	20	DDGD	
C[C@@H](O)C(=O)NNC(=O)c1ccc(Br)cc1Cl	786897808	FRDJEQVNQUJDTB-RXMQYKEDSA-N	321.558	1.244	50	20	DDGD	
N#C/C(=C\c1cn(Cc2ccccc2)nn1)C(=O)N1CCCC1	899337616	HUYJDXTWMPHDOY-XNTDXEJSSA-N	307.357	1.856	50	20	DDGD	
Cc1ccc(NNC(=O)NCCOC2CCSCC2)nn1	899071198	QZRFDLCHSWZYKX-UHFFFAOYSA-N	311.411	1.323	50	20	DDGD	
CN1C[C@H]2CN(C(=O)NC[C@@]3(C)C[C@H]3Br)C[C@H]2C1	895922172	HMFAHPSDMQLEFO-LSCVPOLPSA-N	316.243	1.363	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)CNc1cccc(OC)c1	794906062	HTNWVZCEDNTJQK-IAQYHMDHSA-N	323.393	1.316	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H]1CCc2cnn(C)c2C1	799001019	AREWHWACUXTPAA-NSHDSACASA-N	314.393	1.582	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)C(F)(F)c1nccs1	798315287	DWDCGRWDWMZGAZ-UHFFFAOYSA-N	318.227	1.128	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Cc1coc2ccccc12	796905073	DBFUXUOOGSPYOS-UHFFFAOYSA-N	309.325	1.760	50	20	DDGD	
CCNc1ccc(Cl)cc1C(=O)NNC(=O)c1c[nH]nc1C	792322399	BKRFXNPVBYMTRM-UHFFFAOYSA-N	321.768	1.878	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53)c1cccnc1	792772222	GQCUAXQNGYJKPK-HAJSXZOYSA-N	309.369	1.237	50	20	DDGD	
CCc1nnsc1C(=O)NNC(=O)c1ccc(OC)cc1	1317699190	XDJHWSFDJQPGNY-UHFFFAOYSA-N	306.347	1.184	50	20	DDGD	
CCc1nc(C)c(C(=O)NNc2nncc(N)c2Cl)s1	1319208831	OIFPJEKBESRQEY-UHFFFAOYSA-N	312.786	1.796	50	20	DDGD	
CCN1CCN(C(=O)CC2CCN(C(=O)CCl)CC2)CC1	1319681603	DBYIHUUAMHDWOD-UHFFFAOYSA-N	315.845	1.018	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccc(-c2c(F)cccc2F)o1	1318902310	BLXSWCIGMQTUGH-UHFFFAOYSA-N	308.240	1.848	50	20	DDGD	
CC(C)CNC(=O)CNC(=O)NC[C@@]1(C)C[C@@H]1Br	1328495638	YIIMJBULBKMSJL-JOYOIKCWSA-N	320.231	1.231	50	20	DDGD	
COC(=O)c1coc(C=NNC(=O)c2n[nH]c3c2CCCC3)c1	1323848513	ZUVIDLBCUTWMPC-UHFFFAOYSA-N	316.317	1.432	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2cc(Cl)ccc2[N+](=O)[O-])CCN1	1324569811	SJALPHZZTHCDAH-SSDOTTSWSA-N	312.713	1.218	50	20	DDGD	
O=C(c1cc(B(O)O)ccc1F)N1CC[C@@H]2CCCC[C@@H]2C1	1329310207	JWGPKAAVVDMQOY-NWDGAFQWSA-N	305.158	1.158	50	20	DDGD	
O=C(NN=Cc1cnn(-c2ccc(F)cc2)c1)C1CCOCC1	1330904095	OCKZZVOSRXAPPL-UHFFFAOYSA-N	316.336	1.888	50	20	DDGD	
O=C(NNC(=O)C1C2CC3CC(C2)CC1C3)C1CCOCC1	1332690574	CNECZZBJZZNOHI-UHFFFAOYSA-N	306.406	1.633	50	20	DDGD	
Cn1cc(C=NNC(=O)C2CCOCC2)c(-c2ccncc2)n1	1333663991	AJJZPPRZPNQQLB-UHFFFAOYSA-N	313.361	1.359	50	20	DDGD	
C[C@H]1CCCN1CCNC(=O)NNc1ccc(C(C)(C)C)nn1	1336874623	VGPGNGIVQWRWGV-LBPRGKRZSA-N	320.441	1.885	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(F)cc1Cl)c1nnnn1C	1348044737	JOBAWYYUEXBWEN-ZCFIWIBFSA-N	313.724	1.390	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NOCc1ccc(F)cc1	1349076200	MYPDXVOFBRVCOT-SKDRFNHKSA-N	311.313	1.013	50	20	DDGD	
C[C@H](NC(=O)NNc1c(F)cccc1Cl)c1nnnn1C	1351562724	CRAPADLDDDVEQH-LURJTMIESA-N	313.724	1.390	50	20	DDGD	
CN1CCCC[C@@H]1CNC(=O)NNC(=O)Cc1ccc(F)cc1	1523448069	JWCZUFLBTUFWSK-CQSZACIVSA-N	322.384	1.183	50	20	DDGD	
COc1cccc(NNC(=O)Nc2ccc(C(=O)O)cc2)n1	1607326023	QJLQOSRTJZMEOG-UHFFFAOYSA-N	302.290	1.937	50	20	DDGD	
O=C(O)Cc1ccc(NC(=O)NNc2ncccc2F)cc1	1602125155	RSRKYPSXAXELTF-UHFFFAOYSA-N	304.281	1.996	50	20	DDGD	
Cc1oc(CNC(=O)/C(C#N)=C/c2cnn(C)c2)cc1C(=O)O	1600847715	NLMIYBOOFGHISQ-QDEBKDIKSA-N	314.301	1.243	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNc2cccc(F)c2C(=O)O)n1	1600178945	NGCTVLNYIWIVGE-UHFFFAOYSA-N	306.297	1.481	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H]1C(=O)NNc1ccnc(Br)c1	1606407724	GOQZHKGRHGVODZ-HTQZYQBOSA-N	314.139	1.398	50	20	DDGD	
N#C/C=C(/c1ccccc1)N1CCS(=O)(=O)C[C@H]1CC(=O)O	1601060492	JBOGWOYRJSMAII-KKMLBMJLSA-N	320.370	1.125	50	20	DDGD	
COC(=O)CCCCC(=O)NNc1cccc(F)c1C(=O)O	1606454049	XFYMCGDSLUIVOB-UHFFFAOYSA-N	312.297	1.700	50	20	DDGD	
O=C(O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CCI	1601757741	ZFLAGBJMLXRLAX-HLTSFMKQSA-N	309.147	1.607	50	20	DDGD	
C[C@H]1SCCC1=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1603955976	NQYQZXAHTGMGLO-MRVPVSSYSA-N	302.363	1.478	50	20	DDGD	
O=C(/C=C/c1ccncn1)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1610652208	UPPLGHJMCPXTJI-DAFODLJHSA-N	315.241	1.702	50	20	DDGD	
O=C(NN=Cc1cnc(C2CC2)s1)[C@H]1CN2CCC[C@@H]2CO1	1549318658	QJIOAYGYDCLGEF-DGCLKSJQSA-N	320.418	1.334	50	20	DDGD	
Cc1nocc1C=NNC(=O)[C@@H]1CCCO[C@@H]1c1nccn1C	1549316942	SDQDCABWRIJPJZ-OLZOCXBDSA-N	317.349	1.335	50	20	DDGD	
Cc1c(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cccc1C(=O)O	1610423442	HVMOWWGLFXAGIZ-ONGXEEELSA-N	321.333	1.271	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)c1cnc(C(=O)O)cn1	1610480391	XXJGZPKAHNWFIS-UHFFFAOYSA-N	323.312	1.788	50	20	DDGD	
COc1ccc(O)c(C(=O)NNc2cccc(F)c2C(=O)O)c1	1610343100	YSEPITOIQNOUGF-UHFFFAOYSA-N	320.276	1.995	50	20	DDGD	
C/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cl)CC)C2	1800459993	LDIJTPTZTBTHKB-NBAPKIAESA-N	314.813	1.170	50	20	DDGD	
COc1cccc([C@H](N)C(=O)NNc2cc(Cl)ccn2)c1	1579264322	MCNFLKJUOYITOD-ZDUSSCGKSA-N	306.753	1.887	50	20	DDGD	
CC(C)(C)[C@@H](N)C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1	1573457939	MMYXOTRTSHVBIU-NSHDSACASA-N	321.406	1.273	50	20	DDGD	
CCNCc1cccc(NC(=O)NNC(=O)[C@@H]2CCCS2)c1	1577876018	GFKCQKJRPQVHSM-ZDUSSCGKSA-N	322.434	1.844	50	20	DDGD	
Cn1ncc(N)c1CCC(=O)NNc1ccc(F)cc1Cl	1580006734	PUTJVJJURJOLIM-UHFFFAOYSA-N	311.748	1.871	50	20	DDGD	
N[C@@H]1CCC[C@@H](C(=O)NNC(=O)Cc2c[nH]c3ccccc23)C1	1580374395	FCVZTBKXNKXWSL-DGCLKSJQSA-N	314.389	1.375	50	20	DDGD	
COc1cc(CC(=O)NNc2cccc(C(=O)O)c2)ccc1O	1599400478	JQOPQFLBQAMCEX-UHFFFAOYSA-N	316.313	1.785	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)CCCNC)C1	1842917492	KUDXBJNWDQWDLJ-GFCCVEGCSA-N	315.845	1.207	50	20	DDGD	
CC1(C)OC[C@H]2C[C@@]21C(=O)NNc1cccc(C(=O)O)c1F	1593976096	GKVXHSWSIXOFAV-GLEZIHRCSA-N	308.309	1.782	50	20	DDGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNc2ccc(C(=O)O)cn2)C1	1599111184	BLLPBMNVLJTFGI-ZYHUDNBSSA-N	307.350	1.818	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2cccc(F)c2C(=O)O)CCC1=O	1594204113	UPOZGYGJNCPVOQ-RKDXNWHRSA-N	308.309	1.972	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)O)CCC1=NNC(=O)c1ccc(C(=O)O)cc1	1776101139	SMURRQWVYYSJPX-CABZTGNLSA-N	318.329	1.991	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1OC)N(C)C	160509213	VQFDFKDZRNHBBC-NSHDSACASA-N	313.785	1.450	50	20	DDGD	
Cc1cccc(C(=O)NNc2ncccc2[N+](=O)[O-])c1[N+](=O)[O-]	153590060	IWUCKEZLKAXQFD-UHFFFAOYSA-N	317.261	1.963	50	20	DDGD	
CC(C)[C@@H](C)CC(=O)NNc1nccc(N2CCOCC2)n1	155538748	FPYRFDLTISVLLE-LBPRGKRZSA-N	307.398	1.439	50	20	DDGD	
Cc1cccc(C)c1NCC(=O)NNC(=O)c1ccccc1O	155094001	IENVWHCTLKPSEO-UHFFFAOYSA-N	313.357	1.882	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cc(F)c(F)c(F)c1	157647506	WFUQRFFUWLSPHA-ZCFIWIBFSA-N	310.297	1.460	50	20	DDGD	
O=C(CCOCc1ccccc1)NNc1ncnc2nc[nH]c12	156232685	AYQXMQVGGINMHT-UHFFFAOYSA-N	312.333	1.403	50	20	DDGD	
CN(CCC1CCOCC1)C(=O)NNC(=O)Cc1cccnc1	154324072	NZOXPKRZIGVRMG-UHFFFAOYSA-N	320.393	1.113	50	20	DDGD	
O=C1C[C@H](C(=O)NNC(=O)c2ccccc2)[C@H]2CCCC[C@@H]2N1	209283634	ICYLUYLFSORKJC-RDBSUJKOSA-N	315.373	1.143	50	20	DDGD	
O=C1CCC(=O)N1[C@H](O)[C@H](Cl)Cc1ccc2ncccc2c1	116144471	FUPWOFWDARMISK-MLGOLLRUSA-N	318.760	1.852	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(OCC(=O)N2CC=C(C#N)CC2)C1	495090843	ZKRLEDGAZFGOQX-UHFFFAOYSA-N	321.377	1.305	50	20	DDGD	
CCc1nocc1C(=O)NCCSSCCC(=O)O	2088603094	QBEMDMIFWPONTM-UHFFFAOYSA-N	304.393	1.823	50	20	DDGD	
CCc1noc(C)c1C(=O)NNC(=O)Cc1ccc(F)cc1	8031079	GDVXRJSLSLQVOO-UHFFFAOYSA-N	305.309	1.688	50	20	DDGD	
COC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)c2ccc(C)o2)C1	176209636	ZVJTZAUKKAMGAN-QWRGUYRKSA-N	308.334	1.328	50	20	DDGD	
C[C@@H](OCC1CC1)C(=O)NNC(=O)Cn1ccc2ccccc21	104632934	FKMZJMCRZQPECN-GFCCVEGCSA-N	315.373	1.604	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)s1	119476240	IHWAWPWVLAWZRZ-VXGBXAGGSA-N	323.418	1.958	50	20	DDGD	
O=C(CCC1CC1)NNC(=O)c1nn(-c2ccccc2)cc1O	115708135	ZEXNECFJSTZQER-UHFFFAOYSA-N	314.345	1.529	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)COCC2CC2)cc1OC	60606078	HSSBBZDLZLVCTM-UHFFFAOYSA-N	322.361	1.282	50	20	DDGD	
Cc1noc2nc(C3CC3)cc(C(=O)NNC(=O)NC(C)C)c12	63269581	NFCQZJAIHWCFQX-UHFFFAOYSA-N	317.349	1.761	50	20	DDGD	
C[C@H](OCC1CC1)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	68286788	UUTDWRUMIFAQND-WDEREUQCSA-N	324.352	1.556	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)on1	61047924	WXPXIYWSKXTOSD-UHFFFAOYSA-N	303.318	1.440	50	20	DDGD	
Cc1ccnc(N2CCN(C(=O)NNC(=O)C(C)(C)C)CC2)c1	119903022	ONYNMIQUJLTTHT-UHFFFAOYSA-N	319.409	1.299	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)Cc2ccc(F)cc2)c1O	60794334	XYEIUOVABNPMLY-UHFFFAOYSA-N	318.304	1.544	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNC(=O)CNc1ccccc1OC	68541615	AGHCOODPXCKBJA-LBPRGKRZSA-N	323.393	1.460	50	20	DDGD	
Cc1cccc(C)c1OCCC(=O)NNC(=O)NCC1CC1	65192196	PJEKPEKIXTWSEY-UHFFFAOYSA-N	305.378	1.813	50	20	DDGD	
COc1cccc(CC(=O)NNC(=O)c2ccc(C#N)cc2)c1	61474759	DFSHCLPGZODION-UHFFFAOYSA-N	309.325	1.571	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCN1CCc2sccc2C1	178959701	ZQIZBEFFCJNYFD-ACCUITESSA-N	305.403	1.666	50	20	DDGD	
O=C(NNc1ncnc2nc[nH]c12)c1cnc2ccccc2n1	172643623	GLWBDYMQTYZUMC-UHFFFAOYSA-N	306.289	1.053	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(C2=NC[C@@H](C)S2)CC1	178969178	NIPVISASJZQBTL-KPMWUXBGSA-N	308.407	1.066	50	20	DDGD	
Cc1nnc(NNC(=O)c2csc3c2CC[C@H](C)C3)nc1O	23310116	GIJVRBKRPMGXKS-ZETCQYMHSA-N	319.390	1.829	50	20	DDGD	
O=C1CCc2cc(C(=O)NNc3cnccn3)c(F)cc2N1	126066458	CSYGHAJIBCGRHE-UHFFFAOYSA-N	301.281	1.257	50	20	DDGD	
Cc1ccsc1CCCC(=O)NNC(=O)c1c[nH]nc1C	121663174	BJTAEZOFUVHCNN-UHFFFAOYSA-N	306.391	1.872	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cccc3cn[nH]c23)cc1	128048915	BKACZMJIXFHBND-UHFFFAOYSA-N	324.340	1.711	50	20	DDGD	
Cc1ncsc1/C=C/C(=O)NNC(=S)N[C@H](C)C1CC1	187477438	ZYMGLWADYVLTMU-HQZHTGGTSA-N	310.448	1.759	50	20	DDGD	
C[C@@H](NC(=O)CC(C)(C)C)C(=O)NNc1cccc([N+](=O)[O-])c1	187069825	SNEWECWMYLENGQ-SNVBAGLBSA-N	322.365	1.979	50	20	DDGD	
O=C(NNc1ncccn1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	124079492	YYAHQEIDHLQHIJ-UHFFFAOYSA-N	304.222	1.050	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2c(C)nc3ccccn23)ccn1	183434020	HZJAAPGVGHUDOJ-UHFFFAOYSA-N	324.344	1.813	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)CC1CCCC1	73314716	UJRRUEPMPTXZOV-UHFFFAOYSA-N	305.378	1.835	50	20	DDGD	
O=C(CCCCCc1cccs1)NNC(=O)Cc1cc[nH]n1	186122896	WVSGJSBLDAGVCR-UHFFFAOYSA-N	320.418	1.964	50	20	DDGD	
CN(C)C1(C(=O)NNC(=O)c2cc3ccccc3o2)CCC1	120157417	RHGKAGGSVZTUCR-UHFFFAOYSA-N	301.346	1.678	50	20	DDGD	
Cn1ccnc(NC(=O)NNc2ccc3ccccc3n2)c1=O	121203524	MHGBGDHLPSFJJM-UHFFFAOYSA-N	310.317	1.477	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1ccc(Cl)cn1	120592203	UVBZRGOGVZYHBR-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H]2CCC[C@@H]2CCO)cc1	188466312	VEXMVRWJHRRKDC-HIFRSBDPSA-N	319.405	1.744	50	20	DDGD	
CCN(CC)C(=O)CN(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	188077889	FJWMGQGITHRBAC-UVTDQMKNSA-N	315.373	1.626	50	20	DDGD	
CC(=O)CC(C)(C)CC(=O)NNC(=O)CNc1ccc(C)cc1	188345040	LXWAWLNSGPJPOX-UHFFFAOYSA-N	319.405	1.950	50	20	DDGD	
Cc1nn(C)c(C)c1CC(=O)NNc1nnc(C2CC2)s1	184478535	LLWQSLGNFLHMBW-UHFFFAOYSA-N	306.395	1.452	50	20	DDGD	
Cc1cc2cc(C(=O)NNC(=O)Cc3cc[nH]n3)oc2cc1C	186146931	HMXALUMDMHAUCC-UHFFFAOYSA-N	312.329	1.776	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)Cc2cc[nH]n2)ccc1N(C)C	183684480	YTGFEGNIVNNCAS-UHFFFAOYSA-N	316.365	1.180	50	20	DDGD	
C[C@H](CBr)CN1CCN(c2cnn(C)c2)CC1	133846027	XHJFLRKHROHJIB-LLVKDONJSA-N	301.232	1.573	50	20	DDGD	
CNC(=O)CCCC(=O)NNC(=O)CCCc1ccccc1	134073554	SWAAWQZREKYESF-UHFFFAOYSA-N	305.378	1.073	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)c1cnc(O)c([N+](=O)[O-])c1	193744368	IAYBCCQQDDGION-UHFFFAOYSA-N	306.253	1.900	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H](C)N1CCc2ccccc2C1	134686735	JPGAFAKUWHDTHV-ZDUSSCGKSA-N	318.421	1.564	50	20	DDGD	
CN(CC(=O)NNc1ccc(F)c(F)c1F)[C@@H]1CCSC1	131451404	JXJXTACYPBDGOW-MRVPVSSYSA-N	319.352	1.984	50	20	DDGD	
O=C(C#Cc1ccccc1)NNC(=O)c1c[nH]c2ccccc12	81113328	HFMITZBIORSADD-UHFFFAOYSA-N	303.321	1.981	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)c2cn(C(C)(C)C)nn2)cc1	190532626	BVJKDJYDRIKRRX-UHFFFAOYSA-N	315.377	1.670	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCSC[C@@H]1c1cnn(C)c1	191985406	YXGTVMPKYSCHBQ-YGNAEDSMSA-N	306.391	1.481	50	20	DDGD	
CCc1cccc(NC(=O)C(=O)NNc2ccnc(F)c2)c1	190295275	IRTYNIOWHVFMHT-UHFFFAOYSA-N	302.309	1.865	50	20	DDGD	
CC(C)(C)[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C(N)=O	194581850	VGHSQDBWFKOFFU-BIRHUZIMSA-N	301.346	1.315	50	20	DDGD	
CSC[C@H](C)C(=O)NNC(=O)COc1ccc(F)cc1	264495002	GFFSVUBNWXTTTL-VIFPVBQESA-N	300.355	1.351	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNc1nccnc1Cl	265139754	HZSMQJILMHZPRZ-UHFFFAOYSA-N	301.734	1.052	50	20	DDGD	
COC(=O)CSCCC(=O)NNc1ccccc1[N+](=O)[O-]	264414557	GDGSMKNDRYIWPV-UHFFFAOYSA-N	313.335	1.334	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H](C)CC(=O)c1ccccc1F	266562369	VSZNQTXXOZHVDY-SNVBAGLBSA-N	323.393	1.716	50	20	DDGD	
COc1ccccc1O[C@H](C)CNC(=O)NNc1cccnn1	266538802	KHBPWYSLCCYDFC-LLVKDONJSA-N	317.349	1.579	50	20	DDGD	
CNC(=O)NNC(=O)CCc1ccc(Br)cc1	267193604	ZRECCRUGFGEEKA-UHFFFAOYSA-N	300.156	1.342	50	20	DDGD	
COc1ccc(N(C)S(=O)(=O)CBr)c(OC)c1	272799890	KZTVCBWGKWLLRQ-UHFFFAOYSA-N	324.196	1.822	50	20	DDGD	
CC(C)(C)c1ccccc1NC(=O)C(=O)NNC(=O)CC1CC1	274041609	FYPRZUYHYWGXLN-UHFFFAOYSA-N	317.389	1.870	50	20	DDGD	
Cn1c(NNC(=O)[C@]2(C)CCCOC2)nc2ccccc2c1=O	272686435	DBZILECTQJYAFL-MRXNPFEDSA-N	316.361	1.193	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc3c(c2)N(C)CC3)[nH]n1	273432946	UNOLLQCXOFUWJD-UHFFFAOYSA-N	314.349	1.177	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](C)c1cn(C)c2ccccc12	274907996	ICAUQVYRLHUIEY-LLVKDONJSA-N	302.378	1.974	50	20	DDGD	
N#CCCCOc1cccnc1NC(=O)NNC(=O)C1CCC1	276055985	JMZFEQXAGKWSHL-UHFFFAOYSA-N	317.349	1.717	50	20	DDGD	
CC[C@H]1C[C@H](C(=O)NNC(=O)COc2ccccc2O)CCO1	272553201	PRPCXXOBQMKUBN-NEPJUHHUSA-N	322.361	1.124	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)NC(C)C)sc1Cl	276533171	JGSAGVLTFUEJGN-UHFFFAOYSA-N	311.816	1.611	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2ccc(C(F)(F)F)nn2)CCO1	271986768	KNGLQZNINHVIDZ-HTQZYQBOSA-N	304.272	1.754	50	20	DDGD	
CSCc1ccc(NC(=O)C(=O)NNC(=O)CC(C)C)cc1	274247770	ZAXXPNPPXBWJOY-UHFFFAOYSA-N	323.418	1.682	50	20	DDGD	
CNC(=O)C1CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CC1	273147307	VQCIFNDJEAAWON-UVTDQMKNSA-N	315.348	1.717	50	20	DDGD	
O=C(CN1CCOCC12CCCC2)NNC(=O)c1ccccc1	272254697	LUOBHEQDZNMWLM-UHFFFAOYSA-N	317.389	1.093	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H]1CCCN(C2CCCCC2)C1=O	276104215	JKINAKOFHKANPQ-RDRICISKSA-N	319.405	1.870	50	20	DDGD	
Cc1nc(Cl)ccc1NC(=O)C(=O)NNC(=O)CC(C)C	279467471	UZYSRFHTBDKVMT-UHFFFAOYSA-N	312.757	1.175	50	20	DDGD	
Cc1cccnc1NNC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O	276656796	BEKRZFBXJBICBM-VXGBXAGGSA-N	316.361	1.008	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)c1cccc(O)c1O	376322730	DYOHESBTTAPZPH-UHFFFAOYSA-N	313.273	1.300	50	20	DDGD	
CC(=O)N1CCC[C@@H](CNC(=O)NNc2ncccc2F)C1	288768762	RGTUPFBHDDCWCH-NSHDSACASA-N	309.345	1.105	50	20	DDGD	
O=S(=O)(CCCCCl)N1C[C@@H](CO)Oc2ccccc21	372717586	QFXFSUOYCFGYPZ-NSHDSACASA-N	319.810	1.595	50	20	DDGD	
O=C(CCNC(=O)Cc1ccccc1)NCC(Cl)Cl	288381091	ZIHFZJJYCCTCSW-UHFFFAOYSA-N	303.189	1.655	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1ccoc1C(C)C	280929854	YFOZLICBNMYKOE-UHFFFAOYSA-N	309.366	1.469	50	20	DDGD	
Cc1cc(=O)cc(C)n1CCCC(=O)NNC(=O)OC(C)(C)C	289520294	MNBDQLSWJJUPAB-UHFFFAOYSA-N	323.393	1.801	50	20	DDGD	
Cn1ccnc1[C@H]1N(C(=O)NNC(=O)C(C)(C)C)CC1(C)C	296666936	PBLADOFIFIDPKF-SNVBAGLBSA-N	307.398	1.590	50	20	DDGD	
C[C@H]1CSC[C@H]1NC(=O)NNc1ccc2c(=O)[nH]ccc2c1	807477672	VTGIKWISFYEAMS-TVQRCGJNSA-N	318.402	1.906	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)ncn1	802120089	XCKCUOCITBERPK-UHFFFAOYSA-N	314.349	1.318	50	20	DDGD	
N#Cc1ccc(NC(=O)NNC(=O)[C@H]2CCCCO2)cc1F	297271754	DKTIJTPLNGEGBH-GFCCVEGCSA-N	306.297	1.419	50	20	DDGD	
C[C@H](Oc1ccc(C=O)cc1)C(=O)NNc1ncc(F)cn1	802914435	YGKTZIZGTGSWAM-VIFPVBQESA-N	304.281	1.339	50	20	DDGD	
O=C(CNC(=O)c1cccc(F)c1)NNc1cccc(F)n1	804767248	ZXOURIISJOUXHE-UHFFFAOYSA-N	306.272	1.233	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cc(C(N)=O)cs1	805378490	JOKHNGDYLMEQMM-UHFFFAOYSA-N	320.330	1.821	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncccn1)[C@H]1OCCc2sccc21	292173782	OGCMIVWTSVKNDO-BXKDBHETSA-N	319.390	1.867	50	20	DDGD	
Cc1nc(Cl)ccc1NC(=O)C(=O)NNc1cccc(F)n1	807391460	SVTPFLIBBQPJMH-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
CC(C)[C@@H](C)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	291173258	KBJZGFWXEODHPQ-LLVKDONJSA-N	313.423	1.672	50	20	DDGD	
CC(=O)Nc1ccc(O)c(C(=O)NNc2ncccc2F)c1	804219976	WKOJJYNRQZAQPK-UHFFFAOYSA-N	304.281	1.642	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCSC1)Nc1cc(F)cc(F)c1	802001233	ZSJSAGXFRUIFMC-ZETCQYMHSA-N	301.318	1.871	50	20	DDGD	
CC(C)Oc1ncccc1C(=O)NNC(=O)c1ccc(C#N)cc1	806687461	LSXIAHWRZNPMEU-UHFFFAOYSA-N	324.340	1.815	50	20	DDGD	
CC[C@H](C)[C@H](CNC(=O)NNC(=O)c1ccccc1OC)OC	296652048	NMUQDJHHQDKLSW-FZMZJTMJSA-N	323.393	1.700	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc2c(c1)CCCC2	295349395	INOXEJKKJAZELH-HNNXBMFYSA-N	302.374	1.896	50	20	DDGD	
CCn1nc(C)c(CC(=O)NNC(=O)c2ccccc2)c1C	292050426	SNNZNNMWUUUWAL-UHFFFAOYSA-N	300.362	1.524	50	20	DDGD	
CO[C@H](Cc1ccccc1)C(=O)NNC(=O)NC1CCCCC1	294343622	LLQYPUDIBYLFKE-OAHLLOKOSA-N	319.405	1.907	50	20	DDGD	
C[C@@H]1CCCCN1CCCCNC(=O)NNc1ncncc1F	292581960	AJKIVKLGOYCWMD-GFCCVEGCSA-N	324.404	1.896	50	20	DDGD	
CC[C@H](C(=O)NNc1ccc(Br)nc1)C(=O)OC	802534423	UFGIUCMZSQMXBA-MRVPVSSYSA-N	316.155	1.486	50	20	DDGD	
CC1=C(C(=O)NNC(=O)Nc2ccccc2)C(=O)OC1(C)C	801990823	ZYOYUBOLPPQTGY-UHFFFAOYSA-N	303.318	1.491	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1CCN(c2ccccc2F)C1	290591522	ULTJEGPXGGVYCS-NSHDSACASA-N	322.409	1.333	50	20	DDGD	
CC(C)C(Cn1cccn1)=NNC(=O)c1ccc(O)c(O)c1	802713415	KLVRVWSGKZUFAQ-UHFFFAOYSA-N	302.334	1.736	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=C1CCN(Cc2ccccn2)CC1	814954997	SYYULYRHRTWRRJ-UHFFFAOYSA-N	312.377	1.115	50	20	DDGD	
CCOc1ccccc1N1C[C@H](C(=O)NN(C)C2CC2)CC1=O	819641452	WUFHFOHPPBTDQP-GFCCVEGCSA-N	317.389	1.564	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1c(C)nsc1C	815542864	VNCDDMUHOUPLMW-UHFFFAOYSA-N	305.359	1.843	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@@H]1CC(=O)N(C)C1	813093359	KIHRJYWCIRPCAC-GFCCVEGCSA-N	304.394	1.975	50	20	DDGD	
CCc1nc(CCNC(=O)NNc2ncncc2F)cs1	814292417	DWTLVJVHGWCXHL-UHFFFAOYSA-N	310.358	1.503	50	20	DDGD	
COC(=O)Cc1occc1C(=O)NN=c1cc[nH]cc1Cl	810508676	SYKAEXHYMLSSCJ-UHFFFAOYSA-N	309.709	1.222	50	20	DDGD	
O=C(O)c1cccc(C=NNC(=O)N2CCOCC2)c1Cl	814820799	CDTHPKOHLHBNSU-UHFFFAOYSA-N	311.725	1.414	50	20	DDGD	
N#Cc1ccc(NC(=O)NNc2cc(Cl)nc(N)n2)cc1F	810255272	ZFMAWFFVIKYPOF-UHFFFAOYSA-N	321.703	1.872	50	20	DDGD	
COc1ccc(NNC(=O)C[C@@H](C)n2cccn2)c([N+](=O)[O-])c1	819395501	OCBJHMWSAVGMJI-SNVBAGLBSA-N	319.321	1.894	50	20	DDGD	
O=C(NNc1ncccn1)[C@@H](CN1CCCC1)c1ccccc1	816849116	ROCLVCMCCGIPAN-HNNXBMFYSA-N	311.389	1.799	50	20	DDGD	
CCOc1ccc(NNC(=O)c2cn(CCOC)nc2C)cc1	817920805	BFKRGBLRQDGMIX-UHFFFAOYSA-N	318.377	1.994	50	20	DDGD	
Cc1ccn(C)c(=O)c1NC(=O)NNc1cccc(Cl)n1	814664718	ACRHIHXTYXJXOF-UHFFFAOYSA-N	307.741	1.891	50	20	DDGD	
CCC(CC)(CNC(=O)NNC(=O)c1ccccc1C)C(=O)O	818627349	SALWYITWBCZYJK-UHFFFAOYSA-N	321.377	1.830	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cccc(F)c1Br	814669078	KXLLKGITVICLGE-UHFFFAOYSA-N	304.119	1.504	50	20	DDGD	
O=C(CCc1nc(-c2ccoc2)no1)NNc1ncncc1F	817080398	MWWPFRYSSDEIJY-UHFFFAOYSA-N	318.268	1.335	50	20	DDGD	
Cc1nnsc1C=NNC(=O)[C@H](C)Oc1ccc(F)cc1	814214717	HDGHEWNSRFKGEQ-VIFPVBQESA-N	308.338	1.903	50	20	DDGD	
CC(Cc1ccsc1)=NNC(=O)Cc1cc(O)nc(S)n1	729635474	VYLBVRWHZOUREK-UHFFFAOYSA-N	322.415	1.810	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)N1CCS(=O)(=O)CC1	728716293	FEQFILHTCZRFAT-LLVKDONJSA-N	323.505	1.958	50	20	DDGD	
COc1cccc(NNC(=O)c2nn(C)c3c2CCCC3)n1	828077009	GYJBIULIUQPDAU-UHFFFAOYSA-N	301.350	1.459	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)/C=C\[C@H]2CCOC2)c1	493449156	GAZLDZLQXYHORR-GXMNPTEKSA-N	318.373	1.422	50	20	DDGD	
COc1ccc([C@H]2CCN(CC(=O)NNC(=O)C(C)C)C2)cc1	827607705	WDCKYXKKDUDTEL-AWEZNQCLSA-N	319.405	1.288	50	20	DDGD	
CC(=NNC(=O)CCNC(=O)OC(C)(C)C)c1cnn(C)c1C	494951977	KKYVZBZQXQDOLS-UHFFFAOYSA-N	323.397	1.484	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C(=O)c1cnn(C(C)(C)C)c1	490755237	WLPTUNRJZCUJSI-UHFFFAOYSA-N	310.354	1.377	50	20	DDGD	
CCC[C@H](C)C=NNC(=O)COc1ccccc1-c1nn[nH]n1	825234183	WYLWMCBRRZNQDU-NSHDSACASA-N	316.365	1.784	50	20	DDGD	
O=C(/C=C\C1CCCC1)NNC(=O)COc1ccccc1O	493137294	FSJULAWRCWQFMX-KTKRTIGZSA-N	304.346	1.665	50	20	DDGD	
CCCN1CCC[C@@H]1C(=O)NNc1cccc(F)c1C(=O)OC	822728626	WUJQWXZKKYWMRW-CYBMUJFWSA-N	323.368	1.930	50	20	DDGD	
CC(C)SCC(=O)NNC(=O)Cn1ccc2ccccc21	729451199	NMFBIRCIAXCJAC-UHFFFAOYSA-N	305.403	1.930	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCCN(C)c2ccc(F)cc21	828339264	ZYLWNWPTJBOVQD-UHFFFAOYSA-N	322.384	1.275	50	20	DDGD	
CCn1cnc(C(=O)NNC(=S)NCCc2cccs2)c1	820165561	WDFYUESCMIOPLE-UHFFFAOYSA-N	323.447	1.316	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNc2nccc(OC)n2)cc1	490703909	SSJUBRGFVLXQSL-YVMONPNESA-N	300.318	1.650	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)c2ccc(-c3nn[nH]n3)nc2)c1	822240192	WIMTVTSMZHIFIX-UHFFFAOYSA-N	313.296	1.466	50	20	DDGD	
CSC1(C=NNC(=O)CNC(=O)OC(C)(C)C)CCC1	496831739	GAJPLXLKTYGNPC-UHFFFAOYSA-N	301.412	1.899	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCOC3(CCCC3)C2)c(F)c1	585031065	PRYZMODXNYVZQS-AWEZNQCLSA-N	307.174	1.087	50	20	DDGD	
C[C@H](NS(C)(=O)=O)C(=O)NN=C1CC[C@@H]2CCCC[C@@H]2C1	728435801	ACSUOHGHWQJELR-SDDRHHMPSA-N	315.439	1.387	50	20	DDGD	
C[C@]1(C(=O)N2CCC(C3OCCO3)CC2)C[C@H]1Br	906500512	RAHDCEWXLXCNNP-MFKMUULPSA-N	318.211	1.771	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N(C)CCc1ccccc1F	827297616	FJNNPIRZFFAXDD-DGCLKSJQSA-N	323.368	1.466	50	20	DDGD	
CCCN(CCC)CCCNC(=O)/C(C#N)=C\c1cnn(C)c1	491159396	IOWPKNZZFNCAGF-WJDWOHSUSA-N	317.437	1.955	50	20	DDGD	
C[C@@H]1CCN(C(=O)[C@@]2(C)C[C@H]2Br)CCS1(=O)=O	907745904	GUFCELLGUSTYIX-KKZNHRDASA-N	324.240	1.196	50	20	DDGD	
O=C(/C=C\[C@@H]1CCOC1)NNC(=O)Cc1ccc(Cl)cc1	493321212	MDOUZGYRJYBMCO-GCLPIYDQSA-N	308.765	1.623	50	20	DDGD	
CC(C)C(=O)NNC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C	491920377	URIRPOKYRXUJLW-NSHDSACASA-N	313.398	1.579	50	20	DDGD	
O=C(NN=Cc1cccc(Br)n1)[C@H]1CCCCO1	834985146	GMJUUQYNRPIKGK-SNVBAGLBSA-N	312.167	1.863	50	20	DDGD	
C#Cc1ccc(C=NNC(=O)CNC(=O)OC(C)(C)C)cc1	496401401	YADXBRYJKHPBPP-UHFFFAOYSA-N	301.346	1.643	50	20	DDGD	
CC(C)c1ccc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1	730576560	RXXJAZRYKOZKDC-AWEZNQCLSA-N	308.403	1.695	50	20	DDGD	
O=C(CCc1ccc(C(=O)O)cc1)NNc1ccc(Cl)nn1	739256039	NYHNBGFQGWICLN-UHFFFAOYSA-N	320.736	1.904	50	20	DDGD	
C[C@H](CNC(=O)/C(C#N)=C/c1cnn(C)c1)CN1CCCCC1	491157944	BKYCOFVWWCCOBS-UVYNJXETSA-N	315.421	1.565	50	20	DDGD	
N#Cc1ccc(N2CCC[C@@H]2C(=O)NNC(=O)C2CCC2)cc1	732141008	MVZFUKMHGUJXDU-OAHLLOKOSA-N	312.373	1.475	50	20	DDGD	
Cc1csc([C@H](NC(=O)c2ccc(B(O)O)cc2)C2CC2)n1	584951053	HTRFJTIVGNXREH-CYBMUJFWSA-N	316.191	1.012	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2cccc(F)c2)[C@@H]2CCCC[C@@H]2N1	830771762	RAQUCMMSDDXLMN-IHRRRGAJSA-N	305.353	1.964	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@@H](O)C2CCCCC2)ccc1F	837037133	PXAGQMISGROPSD-AWEZNQCLSA-N	324.352	1.997	50	20	DDGD	
COCCN(C)NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C	837624652	YLYBECWWRAODPC-UHFFFAOYSA-N	317.430	1.679	50	20	DDGD	
C[C@@H](Oc1cccc(F)c1)C(=O)NNc1ccc(C(=O)O)cn1	833541893	WWLMZXBCFUUBTE-SECBINFHSA-N	319.292	1.830	50	20	DDGD	
CCN(C)C[C@@H]1CCN(C(=O)[C@]2(C)C[C@H]2Br)C1	906848335	WHVUHNLXKCHDIE-DMDPSCGWSA-N	303.244	1.960	50	20	DDGD	
CCCN1CCC[C@H]1C(=O)NNc1cccc(C(=O)OC)c1F	837056774	BSUWJGBSSIVMLJ-ZDUSSCGKSA-N	323.368	1.930	50	20	DDGD	
CCOC(=O)[C@@H](CC)C(=O)NNC(=O)Cc1ccccc1C	839706031	LHCQKIOJCYCJHO-ZDUSSCGKSA-N	306.362	1.274	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)no1	908053527	PPTKTVMIVGFABN-UHFFFAOYSA-N	317.349	1.770	50	20	DDGD	
C[C@@]1(C(=O)NCCOc2ncccc2F)C[C@H]1Br	907087655	JCQRCDAFQISWPX-BXKDBHETSA-N	317.158	1.889	50	20	DDGD	
O=C(CCc1ccc(OC(F)F)cc1)N1CC[C@@H](B(O)O)C1	585075296	GDESTRZQTUIUNL-LLVKDONJSA-N	313.109	1.296	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)[C@@H]1CCCCO1)C(=O)c1ccccc1	833251092	QETCWBXZULRPJG-OCCSQVGLSA-N	318.373	1.612	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc(O)nc2ccc(F)cc12	737816909	VHIDFCGTWHACJK-UHFFFAOYSA-N	318.308	1.434	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1CCC1	839680844	OMSQGUYOCBNXCK-QWHCGFSZSA-N	303.318	1.646	50	20	DDGD	
Cc1nn(C)c2ncc(C=NNC(=O)[C@@H]3CCCCO3)cc12	834990622	YULFVUBUPDGPLN-ZDUSSCGKSA-N	301.350	1.296	50	20	DDGD	
Cc1ncc2c(n1)CCC[C@@H]2NC(=O)NNC(=O)C1CCC1	734950828	JHDOTZKWFQVPRW-ZDUSSCGKSA-N	303.366	1.293	50	20	DDGD	
C[C@H](CNCc1ccc(B(O)O)o1)Oc1ccc(Cl)cc1	585026591	IDJKAXSLESKGQT-SNVBAGLBSA-N	309.558	1.170	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=C2C[C@H](C)O[C@H]2C)n1	834920663	MUHHJYUNHRLIAF-QWRGUYRKSA-N	308.407	1.855	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](C)c1cc(F)ccc1OC	731281005	MGJVZKXTQRAHBL-VIFPVBQESA-N	313.329	1.262	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@H](CCO)Cc2ccccc2)cn1	831786871	CRWREDJVLSPCIG-VHEJECIDSA-N	324.384	1.437	50	20	DDGD	
O=C(NN=C1CCC[C@@H](C2CC2)C1)N[C@@H]1CCS(=O)(=O)C1	737430731	ZRGNWPGRJJVWDI-DGCLKSJQSA-N	313.423	1.429	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)Cc1cccc(OCC(F)(F)F)c1	910159739	CIVJOPZMWQJTPN-SNVBAGLBSA-N	320.311	1.514	50	20	DDGD	
CSc1nc(C2CC2)nc(C)c1C(=O)NN(C)C[C@@H](C)O	910173627	OHUDHINWHUYYIT-MRVPVSSYSA-N	310.423	1.342	50	20	DDGD	
CCO[C@@H]1CCCC[C@H]1NCC(=O)NNC(=O)c1ccccc1	832629041	NWFCVIMVNGXQIL-HUUCEWRRSA-N	319.405	1.385	50	20	DDGD	
CC(C)SCC(=O)NNC(=O)c1cc(Cl)ccc1O	914464136	ZIOYBWGJRFGDLV-UHFFFAOYSA-N	302.783	1.948	50	20	DDGD	
O=C(NCC1(C(=O)O)CCCC1)NNC(=O)c1ccccc1F	833136685	VGAMFORSWYCDNU-UHFFFAOYSA-N	323.324	1.415	50	20	DDGD	
CCOc1cccc(C=NNC(=O)[C@@H](C)CN2CCOCC2)c1	915953139	QWZLOTJFUCKMOC-AWEZNQCLSA-N	319.405	1.504	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C	910162293	FTWZHZHSBGMXLF-NWDGAFQWSA-N	315.414	1.120	50	20	DDGD	
O=C(NCc1ccon1)NNC(=O)c1cccc2ncccc12	747513626	QOSIJKCLZRSQAV-UHFFFAOYSA-N	311.301	1.367	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)c1cc2ccccc2c(O)n1	747428061	BKDMXAZSEHLRMC-UHFFFAOYSA-N	322.324	1.339	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@H](C)n2ccnc2)cc1F	846248283	DBVRDYVLGDKAGL-JTQLQIEISA-N	320.324	1.903	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCc1ccc(NS(C)(=O)=O)cc1	917603404	KHUHYKCDYURUFC-ZRDIBKRKSA-N	323.374	1.118	50	20	DDGD	
COC(=O)/C=C/c1ccc(C=NNC(=O)CC(F)(F)F)o1	848403698	YLNZFCITDLIMHQ-MYWKKJSTSA-N	304.224	1.868	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@H](C)c2ccco2)cc1	743294188	SMHAPAKRRARNOI-GFCCVEGCSA-N	301.346	1.951	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1ccc(C(=O)OC)c(F)c1	849177864	SVEFQOHCSIFDEY-YRNVUSSQSA-N	306.293	1.282	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(F)c1Cl	843659666	YLWJKQRJYFJUKP-RKDXNWHRSA-N	314.744	1.974	50	20	DDGD	
CC(C)CO[C@@H](C)C(=O)NNC(=O)COc1ccc(C#N)cc1	915262454	XSLXJLAYRHXWBM-LBPRGKRZSA-N	319.361	1.146	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@@H]2CCCS(=O)(=O)C2)cc1	846225585	PJNMLMRRVZXBBB-LLVKDONJSA-N	312.391	1.353	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CSc1nc(-c2ccccc2)no1	910152841	VJRIZZNCFZOYQR-JTQLQIEISA-N	322.390	1.173	50	20	DDGD	
NC[C@H](NC(=O)NNC(=O)c1ccccc1F)C1CCCC1	841984895	GDSYCKTWFFYIOE-ZDUSSCGKSA-N	308.357	1.287	50	20	DDGD	
CC(C)C(=O)N1CCCC[C@@H]1C(=O)NNC(=O)CC1CCCC1	749940840	RMPGJDJCFHSXTB-CQSZACIVSA-N	323.437	1.751	50	20	DDGD	
CCSc1ccc(C(=O)NNc2ccnc(N(C)C)n2)cn1	740107049	AMEBEXBKHHCRLD-UHFFFAOYSA-N	318.406	1.807	50	20	DDGD	
CCn1ccc(CC(=O)NNC(=O)Cc2ccc(Cl)cc2)n1	845088770	PALHKLMOAZSGIG-UHFFFAOYSA-N	320.780	1.489	50	20	DDGD	
CC(C[C@@H]1CCCC(=O)N1)=NNC(=O)[C@H](C)CN1CCCCC1	841615208	XXTGTMXKWZYZJJ-HIFRSBDPSA-N	322.453	1.659	50	20	DDGD	
CC[C@@H](N)CNS(=O)(=O)c1ccc(CCCCl)cc1	842887844	NEIDRAWHIAEFOS-GFCCVEGCSA-N	304.843	1.874	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)C1CC2(CCC2)C1	843752793	CSYNFAQFRHMLMB-UHFFFAOYSA-N	306.337	1.932	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@@H](CCN)C(F)F	843484239	PTSLPWHLBXRXQY-BQBZGAKWSA-N	301.175	1.895	50	20	DDGD	
Cn1ccnc1[C@@H](CC(=O)NN=c1cc[nH]cc1)C(F)(F)F	847689523	ASPDCWDJVABVRD-SNVBAGLBSA-N	313.283	1.416	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1ccc(OCC#N)cc1	842559484	UWHUSARYCGTTHX-DOMZBBRYSA-N	301.346	1.854	50	20	DDGD	
CC1=C(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CCC1	746773460	VOSVBVGLZXBBMC-CQSZACIVSA-N	302.330	1.474	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@H](C)n2cccn2)cc1	846370159	CXCZURLWIRTNLK-NSHDSACASA-N	302.334	1.303	50	20	DDGD	
COCCOCc1cc(C(=O)NNC(=O)C(C)C)ccc1F	742033698	ARQPCYNMKCJPMW-UHFFFAOYSA-N	312.341	1.406	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cc([N+](=O)[O-])ccc1O	743059561	JKCLTZHGUDYDRG-UHFFFAOYSA-N	324.362	1.209	50	20	DDGD	
COC[C@H](NC(=O)NNC(=O)c1ccc(C#N)cc1)C(C)C	745848251	FNYVINDEHMEUNK-ZDUSSCGKSA-N	304.350	1.173	50	20	DDGD	
NC(=O)[C@H]1CC[C@H]1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	847351215	NXOMXKRDWIXNQV-JGVFFNPUSA-N	312.713	1.203	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCN2CCCC2=O)cc1	845487104	SAECTQMKPILUGU-UHFFFAOYSA-N	306.366	1.334	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C1CCc2c(F)ccc(F)c21	749611900	IARSOOVLHFLWTM-UHFFFAOYSA-N	307.300	1.354	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2ccc(-n3cncn3)c(C)c2)n[nH]1	743433893	GCROOHONMUFAPJ-UHFFFAOYSA-N	323.360	1.300	50	20	DDGD	
C[C@H]1CCCc2ncc(C(=O)NNc3nccnc3Cl)n21	846634707	FQMMEPVVHSMYMF-QMMMGPOBSA-N	306.757	1.981	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2cc3ccccc3o2)CCN1	841988371	SILAVNCKYHQALX-CMPLNLGQSA-N	316.361	1.517	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N[C@@H]1CC[C@H]2CNC[C@@H]2C1	842016931	ZUYMJSBSQFNLHC-MELADBBJSA-N	316.405	1.327	50	20	DDGD	
CCN1C[C@H](CNC(=O)[C@@H](Br)C(C)(C)C)CC1=O	846466441	SJXMEZJMOVLAOZ-GXSJLCMTSA-N	319.243	1.781	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2ncnc3ccsc23)CCN1	841986979	OHUODOVECHFUOC-DTWKUNHWSA-N	306.395	1.458	50	20	DDGD	
C[C@H](C[S@](C)=O)NC(=O)NNc1ccc(F)cc1Cl	921922787	AJCAQOKGCPSNKL-XJZHNMMOSA-N	307.778	1.872	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2cn(-c3ccccc3)nc2C)n[nH]1	755793467	ZWBGLXSBINLDQP-UHFFFAOYSA-N	308.345	1.976	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ccc(F)cc2O)c1O	750537458	KEJNUCWYUOXARB-UHFFFAOYSA-N	320.276	1.320	50	20	DDGD	
COC(=O)N(C)CCNC(=O)NNc1cccc(Cl)n1	852657869	OVEZCCSSANECSJ-UHFFFAOYSA-N	301.734	1.059	50	20	DDGD	
CCC(=NNC(=O)CCCNC(=O)C(C)(C)C)[C@@H]1CCOC1	853408998	FZNURESXDWKKRG-GFCCVEGCSA-N	311.426	1.848	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(OC)cc1C(=O)OC	920395273	ZZSFVPRUKSXRJA-MDZDMXLPSA-N	304.302	1.864	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCC1(S(C)(=O)=O)CCCCC1	855769189	JXGGIVYGGVJTRQ-BENRWUELSA-N	314.407	1.294	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)[C@H]2CCS(=O)(=O)C2)c2ccccc21	752722791	DXRSCHCEJMXHFG-NEPJUHHUSA-N	320.414	1.839	50	20	DDGD	
C[C@H](CNC(=O)NNC(=O)c1cccc(F)n1)CC(F)(F)F	852383064	ZWWBYQUPRJMYKT-ZETCQYMHSA-N	322.262	1.753	50	20	DDGD	
Cc1ccc(NNC(=O)CCCCCS(N)(=O)=O)cc1F	856228658	YZVXWKDPTGPOBC-UHFFFAOYSA-N	317.386	1.426	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2C[C@@H]2C2CC2)cc1	751746283	QYQIXMRXQFLFQC-ZIAGYGMSSA-N	316.357	1.345	50	20	DDGD	
C[C@]1(CNC(=O)CNc2ccc(C#N)cn2)C[C@@H]1Br	857732858	DLQASWBDSUCSCW-GXFFZTMASA-N	323.194	1.655	50	20	DDGD	
CO[C@@H]1C[C@H](NC(=O)NNC(=O)c2cc(C)cs2)C12CCC2	858706861	BZPXOXAUQHVDHK-NWDGAFQWSA-N	323.418	1.958	50	20	DDGD	
CC(=O)Nc1ccccc1C=NNC(=O)c1sc(N)nc1C	755631173	KLZLIUAYGTWNKS-UHFFFAOYSA-N	317.374	1.756	50	20	DDGD	
O=C(Cc1ccc2c(c1)COC2)NNC(=O)NCC(F)(F)F	758664554	ZUHCBFUMZAMOAT-UHFFFAOYSA-N	317.267	1.152	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NNC(=O)c1cccnn1	921314911	LVNLJHLNCKAJHY-QMMMGPOBSA-N	315.171	1.047	50	20	DDGD	
COCCCOc1cccc(C=NNC(=O)c2cc[nH]n2)c1	853392482	MWYOFTKOPVAVFF-UHFFFAOYSA-N	302.334	1.589	50	20	DDGD	
CCc1noc(C)c1CNC(=O)NNC(=O)c1cccc(F)n1	852357738	NRYNTONCAIIOGH-UHFFFAOYSA-N	321.312	1.224	50	20	DDGD	
COCCCn1cc(C(=O)NNC(=O)c2ccccc2F)cn1	858121836	MJKXQDONIFBMAL-UHFFFAOYSA-N	320.324	1.134	50	20	DDGD	
Cc1nnc2n1C[C@@H](C(=O)NNc1c(F)cccc1F)CC2	750789837	WWKYFQHZYMJSDU-VIFPVBQESA-N	307.304	1.570	50	20	DDGD	
CC[C@@H]1CC[C@H](C(=O)NNC(=O)Cn2ccc3ccccc32)O1	756931858	RMJHZIGTPBPFSG-UKRRQHHQSA-N	315.373	1.746	50	20	DDGD	
CCC(CC)[C@H]1C[C@@H](NC(=O)NNC(=O)c2cn[nH]c2)CCO1	858350372	GPCQXZLNHISIFF-QWHCGFSZSA-N	323.397	1.338	50	20	DDGD	
C[C@@H](O)c1ncc(C(=O)NNC(=S)N[C@H](C)C2CC2)s1	855097818	YIJVUAGXGBRXAC-RNFRBKRXSA-N	314.436	1.104	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)c1cccc(Cl)n1	857323609	SOJILJGDVIFZTP-DTWKUNHWSA-N	309.753	1.501	50	20	DDGD	
C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=C(C)c1cnc[nH]1	853356891	LUFKZIYCTGBQLM-LLVKDONJSA-N	319.365	1.167	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H]1CSC(c2ccccc2O)=N1	854666456	WIRRJOYUQRPAFN-NSHDSACASA-N	319.386	1.202	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)[C@@]12CCC(=O)N1CCS2	855365636	OUADJVPRJDBJEW-AWEZNQCLSA-N	309.366	1.643	50	20	DDGD	
CCC[C@@H](C(=O)NNc1c(C)cccc1CC)S(N)(=O)=O	854336114	LYYHVAUYSMCTSP-LBPRGKRZSA-N	313.423	1.458	50	20	DDGD	
Cc1nc(-c2ccccc2)[nH]c1C(=O)NNC(=O)Cc1cc[nH]n1	755276987	OHKCZKQRRQDQFH-UHFFFAOYSA-N	324.344	1.112	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H]1c1ccccn1	751480249	BXOLYKGJKYLOQS-UKRRQHHQSA-N	318.421	1.801	50	20	DDGD	
C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NNc2ncncc2Cl)C1	857864357	GKGDSOPPKXCUCJ-IONNQARKSA-N	306.757	1.662	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)N[C@@H]1CCCC(F)(F)C1	853874635	NSXZFJLCSVETFP-MRVPVSSYSA-N	316.283	1.743	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1ccc(C(F)F)nc1	853297483	CISDUNLOCLPLTP-UHFFFAOYSA-N	310.304	1.482	50	20	DDGD	
CSc1nc(O)nc(C)c1C(=O)NNC(=O)c1ccc(C)o1	752780862	HHDYPJISUGKFSS-UHFFFAOYSA-N	322.346	1.189	50	20	DDGD	
NC(=O)c1ccc(NC(=O)NNC(=O)CC(F)(F)F)c(F)c1	756820126	IBOYRRHMIOGGTE-UHFFFAOYSA-N	322.218	1.030	50	20	DDGD	
O=C1NCC[C@@]1(C(=O)NNc1ccccc1F)C1CCCC1	860313862	RRSVDRIGGNADHC-MRXNPFEDSA-N	305.353	1.965	50	20	DDGD	
C[C@H](NNC(=O)c1cnc(-c2ncccn2)s1)C(F)(F)F	862309045	LEARAFVRDCZECP-LURJTMIESA-N	317.296	1.785	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NNC(=O)N1CCOCC1	767921422	XEQBOLXAABVYBP-STQMWFEESA-N	313.398	1.045	50	20	DDGD	
C#CCC(C)(C)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1	767091103	IYUWFSIGZODWIK-UHFFFAOYSA-N	310.357	1.683	50	20	DDGD	
O=C(Cn1cnc2ccccc21)NNCC(F)(F)C(F)(F)F	863094840	VCVKGVNDPCRPJY-UHFFFAOYSA-N	322.237	1.855	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(C)c(NC(C)=O)c1	768547755	STIDUHZVEWMJBW-UHFFFAOYSA-N	307.354	1.651	50	20	DDGD	
C[C@@H](NNC(=O)c1cc(-n2ccnn2)ccc1F)C(F)(F)F	862321583	BSWAUSLZZSBYEU-SSDOTTSWSA-N	317.246	1.592	50	20	DDGD	
Cc1c(C(=O)NNC(=S)NC(C)(C)C)[nH]c2c1C(=O)CCC2	769227943	PNPRWQHDHXYXAK-UHFFFAOYSA-N	322.434	1.750	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)c1cn(C)c2ccccc12	864583960	FLZIDGXGUZCNOP-UHFFFAOYSA-N	303.362	1.754	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@@H]1CCO[C@@]2(CCSC2)C1	769234100	GACVGIGUODWONK-RISCZKNCSA-N	313.423	1.172	50	20	DDGD	
Cc1oc(C(=O)NC[C@]2(C)C[C@@H]2Br)cc1CO	869356063	CNDQLNJZVDMUPY-JQWIXIFHSA-N	302.168	1.984	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CN2CCc3ccccc32)c1	862477049	DVZDMKMMSUZGCC-UHFFFAOYSA-N	315.398	1.880	50	20	DDGD	
CCOC(=O)NCCCC(=O)NNCC(F)(F)C(F)(F)F	863097537	LSTOBCFWDHYUIB-UHFFFAOYSA-N	321.246	1.331	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1	762904580	XTXZOUGCIHJPCY-VIFPVBQESA-N	317.305	1.640	50	20	DDGD	
O=C(CC[C@H]1CCCCO1)NNC(=O)c1n[nH]c2c1CCCC2	1116027978	JLLVBAXCSSPGEW-LLVKDONJSA-N	320.393	1.399	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc(CCOC(C)=O)c1	764710804	BISMBZCAGQRBAM-NSHDSACASA-N	321.377	1.991	50	20	DDGD	
CC(C)[C@H](NC(=O)NNC(=O)c1cccnn1)C(F)(F)F	879342789	VKSHRWRHCXKOMI-QMMMGPOBSA-N	305.260	1.008	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)[C@H](F)Cc2ccccc2)cc1	777977299	SUBGXFRRDFXVEE-OAHLLOKOSA-N	311.316	1.900	50	20	DDGD	
Cc1ccc(C(=O)NNc2nc(-c3ccncc3)no2)c(O)n1	1115978026	PPPQBKMWHDRNLM-UHFFFAOYSA-N	312.289	1.298	50	20	DDGD	
Cc1ccc(CNC(=O)NNc2nncc(N)c2Cl)cn1	1116298294	VKEBYHFZLAJVRS-UHFFFAOYSA-N	307.745	1.242	50	20	DDGD	
O=C(NNc1ccc(F)cn1)[C@@H]1CCN(CC(F)(F)F)C1	874648320	LUPMBJQOYMLJDN-MRVPVSSYSA-N	306.263	1.548	50	20	DDGD	
C[C@H](CN(C)C(=O)[C@@H](Br)C(C)(C)C)c1nn[nH]n1	773997264	CITJTFQAUPXBGY-HTQZYQBOSA-N	318.219	1.571	50	20	DDGD	
CO[C@@H](C(=O)NNc1ccc(C(C)(C)C)nn1)c1cnn(C)c1	1116915912	OOZRPRLGZGCXLO-CYBMUJFWSA-N	318.381	1.338	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CC[C@H](C)C2)cc1	776421040	BZKRSYUYAHLGLF-JSGCOSHPSA-N	318.373	1.735	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NC(C)C)nn1-c1ccc(F)cc1	777372926	KKYAZSZCSPFILN-UHFFFAOYSA-N	319.340	1.672	50	20	DDGD	
COc1cc(C(=O)NN=c2sc3ccccc3n2C)ccn1	1115858672	ZFIUHLPCFGRJFK-UHFFFAOYSA-N	314.370	1.889	50	20	DDGD	
Cn1c(NNC(=O)c2cnn(CC3CC3)c2)nc2ccccc21	879947202	CDLMZMLJGODQIE-UHFFFAOYSA-N	310.361	1.937	50	20	DDGD	
Cc1[nH]nc(C(F)(F)F)c1C(=O)NNc1ncc(F)cn1	1116403763	DIKDRCCBHXBLCL-UHFFFAOYSA-N	304.207	1.423	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(F)nc2)cc1C	777428459	AVRGOHZUWCZAAH-UHFFFAOYSA-N	314.320	1.926	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)C1(C)COC(C)(C)OC1	772843895	IWVRFVVYJNLMSV-UHFFFAOYSA-N	308.382	1.832	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)CN1CCCCS1(=O)=O	879252116	XZDGOIWXFQGRKC-UHFFFAOYSA-N	315.370	1.003	50	20	DDGD	
CN1CCN(c2ccc(/C=C(/C#N)S(C)(=O)=O)cc2)CC1	771518853	WNHOAOZVYSWPDE-PTNGSMBKSA-N	305.403	1.347	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cc(C)cc(C)n2)nc1	773598043	PYZMIDWENYWUET-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)CNC(=O)c1cccc(O)c1	779097236	MPKAQAJZEFIZOM-UHFFFAOYSA-N	317.320	1.713	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)N[C@@H](CO)C1CC1	778649822	LCNOACSSYDYNIZ-AWEZNQCLSA-N	305.378	1.111	50	20	DDGD	
C/C(N)=C(/C#N)c1nc(-c2cn(CCCN(C)C)nn2)cs1	887517573	QSJBIMGCHITGKI-ZHACJKMWSA-N	317.422	1.567	50	20	DDGD	
CN1C(=O)CN(S(=O)(=O)CCCCl)[C@@H]1c1ccccc1	882115045	WSTZPYJCQNCOGD-CYBMUJFWSA-N	316.810	1.418	50	20	DDGD	
C[C@@H](CBr)CN1CCC(C)(C)S(=O)(=O)CC1	773969932	HGXIXTJFUAUQLW-JTQLQIEISA-N	312.273	1.917	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cc(C(F)(F)F)cnc1O	887151580	CERZBKFMPMCRPL-UHFFFAOYSA-N	315.251	1.371	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc(NC(C)=O)cc2)n1	775459904	YIGRGWHFXXWPKW-UHFFFAOYSA-N	316.321	1.592	50	20	DDGD	
COc1cccc(/C=C(/C#N)C(=O)O[C@@H]2CCN(C)C2=O)c1	782443804	CEZSLYVMYFMMIX-ICDLMJIXSA-N	300.314	1.376	50	20	DDGD	
N#Cc1ccc(NNC(=O)NC[C@H]2CSCCS2)nc1	888532896	WKNBPYLRUIREJB-JTQLQIEISA-N	309.420	1.428	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2cccnn2)C[C@@H](C)C1(F)F	883854119	YFWVBZCQLMOOPE-DTORHVGOSA-N	313.308	1.054	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=CCC1CCOCC1	788716105	MAJHEQMJKKIZGR-UHFFFAOYSA-N	300.362	1.796	50	20	DDGD	
C[C@H]1CC[C@H](NC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1	781019420	FEGPDWRMDVVQNQ-UWVGGRQHSA-N	314.386	1.030	50	20	DDGD	
COc1cccc(NNC(=O)[C@H](O)c2ccccc2Cl)n1	781023571	BLACIFPWPSHIJE-CYBMUJFWSA-N	307.737	1.920	50	20	DDGD	
COCC(=NNC(=O)c1ccc(Cl)nc1)C1CCOCC1	780210966	CPLXFZVFUJBWKS-UHFFFAOYSA-N	311.769	1.894	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)Sc1nccn2ccnc12	788509685	WRHUIBJLXKJDCC-SNVBAGLBSA-N	321.406	1.403	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)NCc2ccc(Cl)cc2)CO1	784150433	QJURMRUVDZNFBE-ONGXEEELSA-N	311.769	1.595	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1ccnc(Cl)c1	788181096	LGTOUEQPQXSMHJ-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)C(=O)Nc1cc(C)n(C)n1	783445821	ACQVORLLBOFIOZ-UHFFFAOYSA-N	305.313	1.258	50	20	DDGD	
CS(=O)(=O)c1cc(C(=O)NNc2ccnc(F)c2)cs1	781368580	RQTMISMCVJWSKG-UHFFFAOYSA-N	315.351	1.443	50	20	DDGD	
CON1CCC(C(=O)NNc2cccc(C(F)(F)F)n2)CC1	896513652	ISDROFGQQWTFOO-UHFFFAOYSA-N	318.299	1.817	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1cccc(C(F)(F)F)c1)NC1CC1	795588812	WMHNOPFPTQTDIK-JTQLQIEISA-N	317.267	1.232	50	20	DDGD	
Cc1cc(F)cc(NC(=O)C(=O)NNc2ncccc2C)c1	792378946	ZJISSXQHWZVYTF-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@H]1COc2ccccc2O1)C(F)F	791448415	MIPRTQHVCFWBFU-SNVBAGLBSA-N	314.288	1.265	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)Cc1cc(C(C)(C)C)on1	795302243	GVNBRTQSJLVTEZ-SECBINFHSA-N	317.411	1.469	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CC1	799300655	XEUNRHRZWXDMIV-UHFFFAOYSA-N	320.345	1.036	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccnn2C2CCCC2)n1	794071492	FIGMEVULQDXENN-UHFFFAOYSA-N	313.361	1.776	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2c(F)cccc2Cl)CCC1	793838979	ODPPVDTWEZWZAH-UHFFFAOYSA-N	320.773	1.890	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCc2c(C)cccc2F)n1	792964003	AWPBUPPKMHECNE-UHFFFAOYSA-N	316.336	1.982	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc(C(N)=S)cc2)n1	798136853	MVDJFQPFSNHNIR-UHFFFAOYSA-N	314.370	1.099	50	20	DDGD	
Cc1cccnc1NNC(=O)Cc1cnn(-c2ccccc2)n1	791222226	DVUSAGWQNYZCMZ-UHFFFAOYSA-N	308.345	1.657	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=C1CCc2c(F)cc(F)cc21	794458497	YFSZXJUYKFKYOG-UHFFFAOYSA-O	302.304	1.719	50	20	DDGD	
COc1cc(C(=O)NN=C2C(=O)OC[C@H]2C)ccc1OC(C)C	794883356	YGYHJUGQHDFXIT-SNVBAGLBSA-N	320.345	1.761	50	20	DDGD	
COc1cccc(C=NNC(=O)Cc2nc3ccccc3n2C)n1	790146052	MGLYIYGRNLYEOV-UHFFFAOYSA-N	323.356	1.670	50	20	DDGD	
O=C(NN=Cc1ccsc1Cl)N[C@H]1CCS(=O)(=O)C1	790159850	MXQGDNZPGRGYPV-QMMMGPOBSA-N	321.811	1.222	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)C[C@H]1CCC(=O)[C@@H]1C	793773340	RXRIQBGWCAQZKM-GHMZBOCLSA-N	304.346	1.922	50	20	DDGD	
CC(=O)c1cc(C(=O)NNc2nc3ccccn3n2)ccc1C	790061089	OIUSLRPMANDWGW-UHFFFAOYSA-N	309.329	1.997	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC[C@@H]2Cc3ccccc32)n1	792896818	FQHMYCLZQHSMNE-ZDUSSCGKSA-N	310.357	1.674	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCC2CCOCC2)cc1	1318091950	WAUOZDFBPMOLET-UHFFFAOYSA-N	307.350	1.066	50	20	DDGD	
O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CC[C@H](B(O)O)C1	585060692	ICNAGOKXSYAVTF-ZETCQYMHSA-N	323.994	1.231	50	20	DDGD	
O=C(NNc1cncc(Br)c1)c1ccc(O)nc1	1323067640	RRCQYIJOZXUODB-UHFFFAOYSA-N	309.123	1.702	50	20	DDGD	
Cn1ncc(C(=O)NNc2nc3ccccn3n2)c1C(F)F	1320711006	KBYNLDMZXDDGQZ-UHFFFAOYSA-N	307.264	1.157	50	20	DDGD	
Cc1ccc(C(=O)NNc2cccnn2)c(Br)n1	1320057028	IXUIKFGWNRAOKN-UHFFFAOYSA-N	308.139	1.699	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1csc(-c2ccccn2)n1	1321254229	LQBZFIFBUXNJGX-UHFFFAOYSA-N	321.431	1.722	50	20	DDGD	
COC1(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CCCC1	1320723301	RRTYXIYXALBAJY-UHFFFAOYSA-N	306.366	1.009	50	20	DDGD	
C[C@@]1(CNC(=O)[C@@H](N)Cc2ccccc2)C[C@@H]1Br	1328505785	MNQGUDNQDCGNKW-OBJOEFQTSA-N	311.223	1.846	50	20	DDGD	
C=CCc1cc(C=NNC(=O)C[N+](C)(C)C)cc(OC)c1O	1256370987	VGBWYOWGGVIOQT-UHFFFAOYSA-O	306.386	1.286	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1cc(-c2ccccc2)nn1C	1330530246	XHKUXHPTJLCSCD-UHFFFAOYSA-N	317.418	1.604	50	20	DDGD	
CC1=NO[C@](C)(C(=O)NNC(=O)c2cccc3ncccc23)C1	1337125178	YCFOJKQEDHKLFK-INIZCTEOSA-N	312.329	1.551	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1cc2c(cn1)OCCC2	1337590514	ITHOUDCYRAPVJG-UHFFFAOYSA-N	304.737	1.634	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@H]2CCCSC2)cc1	1261220471	OWQRBCTWSOHRBM-NSHDSACASA-N	309.391	1.535	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccncc1C(F)(F)F	1349789245	YKOOLUJGNOTVQC-UHFFFAOYSA-N	317.267	1.288	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(C)n1C1CC1	1261499543	NUBHWENNEFXBHT-AAEUAGOBSA-N	305.378	1.626	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1cnc(Cl)c(C#N)c1	1261504909	UGJDXDDIKIPREZ-SDQBBNPISA-N	304.737	1.666	50	20	DDGD	
CC(C)(CNC(=O)C1CCC(Cl)CC1)NS(C)(=O)=O	1347637405	BJLJMQOSCPNFSL-UHFFFAOYSA-N	310.847	1.228	50	20	DDGD	
O=C(NNc1ncncc1F)c1cnc([C@H]2CCCO2)s1	1261257823	IEOFBILNQXDODY-MRVPVSSYSA-N	309.326	1.681	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cc(=NCc2ccccc2)cc[nH]1	1348747204	QQDBEBGMACILRY-CYBMUJFWSA-N	314.389	1.073	50	20	DDGD	
O=C(N[C@H]1Cc2cccnc2NC1=O)C1CCC(Cl)CC1	1350315264	LWZAOFBRHYCVQC-NHNAUAITSA-N	307.781	1.859	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)c1cccc2nn[nH]c12	1608828475	HSDGJRHHYIEKRE-UHFFFAOYSA-N	315.264	1.552	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cc2ccccc2C(=O)O)cc1	1601091954	IEFZCPMAMAGHCR-UHFFFAOYSA-N	323.308	1.260	50	20	DDGD	
O=C(NCCc1ccns1)NNc1cccc(C(=O)O)c1	1608454322	DRURNQVDYNOZNE-UHFFFAOYSA-N	306.347	1.710	50	20	DDGD	
C[C@@H](NC(=O)NNc1ccc(CC(=O)O)cc1)[C@H]1CCOC1	1604291044	JJBMNKRFPJWLEG-PWSUYJOCSA-N	307.350	1.365	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)Nc1ccn(CC(=O)O)n1	1600431450	ONXZEWASSAOUCA-UHFFFAOYSA-N	307.285	1.564	50	20	DDGD	
O=C(O)CC1(CC(=O)NNC(=O)[C@@H]2CCCS2)CCCC1	1608677443	WFVIVJHKHWVHPJ-JTQLQIEISA-N	314.407	1.455	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1cc(C(=O)O)c(C)o1	1607340257	MOXUDCDQKQINOI-UHFFFAOYSA-N	316.313	1.988	50	20	DDGD	
Cc1noc(C)c1NC(=O)NNc1ccc(-c2nn[nH]n2)cc1	1609462944	GDIXTXDTIHINSE-UHFFFAOYSA-N	314.309	1.620	50	20	DDGD	
CCCc1[nH]ccc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1604237825	CTAUZOTWTZSNLZ-UHFFFAOYSA-N	311.349	1.904	50	20	DDGD	
Cn1c(NNC(=O)[C@H]2CC[C@H](C(=O)O)CC2)nc2ccccc21	1608091459	LOXOKECUKJFRAN-XYPYZODXSA-N	316.361	1.907	50	20	DDGD	
O=C(NNc1ncncc1Cl)Nc1cccnc1C(=O)O	1605820822	GLEYBXFBLLKDIO-UHFFFAOYSA-N	308.685	1.372	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CC[C@@](F)(C(=O)O)C1	1610618247	DTQHBCUHRROYJI-USYSOWRXSA-N	304.277	1.324	50	20	DDGD	
O=C(NN=C1C[C@]2(CCOC2)Oc2ccccc21)c1ccon1	1553287647	HTLMRWLEGFVEST-INIZCTEOSA-N	313.313	1.750	50	20	DDGD	
Cn1cccc1C(=O)NN=C[C@H]1CCCO[C@@H]1c1ccnn1C	1552454722	VFOJWLNRDAAWQO-DOMZBBRYSA-N	315.377	1.642	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(CC(=O)O)cc1)C(=O)OC(C)(C)C	1589424556	WRYNIYATBAUJKS-SNVBAGLBSA-N	322.361	1.735	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCNC1)c1c[nH]c2cccc(F)c12	1580732945	KSKBCQAKYVROCH-VIFPVBQESA-N	304.325	1.068	50	20	DDGD	
CC(C)N1CC[C@@H](CNC(=O)NNc2ncccc2C(=O)O)C1	1588922112	ZEIMKZTXPIUZSV-NSHDSACASA-N	321.381	1.136	50	20	DDGD	
N[C@H](C(=O)NNC(=O)C1CC1)c1cccc(C(F)(F)F)c1	1580114977	HXTDYKAGMWGGCA-JTQLQIEISA-N	301.268	1.263	50	20	DDGD	
C[C@H](C(=O)NNc1ncccc1C(=O)O)N(C)CC(F)(F)F	1588556164	BNIKIPFDWGXHQI-SSDOTTSWSA-N	320.271	1.106	50	20	DDGD	
CC(=O)c1cc(C(=O)NNc2ccc(C(=O)O)c(F)c2)n(C)c1	1589258219	UNWUXUOAQQDESH-UHFFFAOYSA-N	319.292	1.822	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cnc(Cl)cn1	1593167070	FZFDLMLHTXPMRG-UHFFFAOYSA-N	316.712	1.067	50	20	DDGD	
CN(C)c1ncccc1C(=O)NNc1ccc(C(=O)O)c(F)c1	1598358779	OMUQDQBQKUPWNH-UHFFFAOYSA-N	318.308	1.742	50	20	DDGD	
CCOC(=O)/C(C#N)=C/c1cc(-c2nn[nH]n2)ccc1N(C)C	1590748692	LUPSPLOAJAKFKZ-XYOKQWHBSA-N	312.333	1.403	50	20	DDGD	
C[C@@H]1CC(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)C[C@@H](C)C1	1590186625	FICCIVWASSKQIW-UWVGGRQHSA-N	315.381	1.777	50	20	DDGD	
CN1CCc2c(sc(NC=C(C#N)C#N)c2-c2nn[nH]n2)C1	1591196197	OSKVAODQRTWOSC-UHFFFAOYSA-N	312.362	1.259	50	20	DDGD	
CCC1=C(C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCCO1	1590500963	VWKJAISCVZLOLG-UHFFFAOYSA-N	314.349	1.784	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](CC(=O)O)c1ccc(OC)cc1	1596864986	YRYNZBRBYTXICW-WONIAPNHSA-N	318.329	1.771	50	20	DDGD	
O=C(O)c1ccc2[nH]cc(C=NNC(=O)c3ccnnc3)c2c1	1776081533	SWDVVTHHJBVTBB-UHFFFAOYSA-N	309.285	1.420	50	20	DDGD	
CC(=NNC(=O)c1ccc(CO)o1)c1ccc(CC(=O)O)cc1	1776097184	QEMUSSFSALIDPS-UHFFFAOYSA-N	316.313	1.553	50	20	DDGD	
CN(C)C(=O)CCC=NNC(=O)Nc1ccc(C(=O)O)cc1	1776046965	PNQTYZSTIDQPMA-UHFFFAOYSA-N	306.322	1.361	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2cc(C(=O)O)c(Cl)s2)cn1	1776044739	YZJFKAJFAKVPDK-UHFFFAOYSA-N	312.738	1.597	50	20	DDGD	
NCC(=O)NC1(c2ccc(NC(=O)[C@H](F)Cl)cc2)CCC1	1788583005	ZPQFNUZAVKDETB-LBPRGKRZSA-N	313.760	1.614	50	20	DDGD	
CC(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Cl)[C@H]2C1	1787445262	CNYNSCAGZOGCFL-BJDJZHNGSA-N	320.792	1.157	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)C1=COCCO1	14595828	QBCALAAYGCWBPG-UHFFFAOYSA-N	320.389	1.629	50	20	DDGD	
CC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2)cc1	16123715	GFNOPTCRSWEZGW-UHFFFAOYSA-N	318.354	1.513	50	20	DDGD	
Cn1cnc(-c2cccc(NC(=O)NNc3cnccn3)c2)n1	161992346	QAIVWDXHXQQFGX-UHFFFAOYSA-N	310.321	1.421	50	20	DDGD	
O=C(C[C@@H]1CSCCS1)NNc1nccnc1Cl	162265894	PULDYLPRCXGJMP-SSDOTTSWSA-N	304.828	1.812	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc(OCC(C)C)c2)[nH]n1	153020672	PJZURTRWRGTQAK-UHFFFAOYSA-N	316.361	1.828	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccc(F)cc1)Cc1ccoc1	153543914	XGEBWWSUEMERRN-UHFFFAOYSA-N	319.336	1.702	50	20	DDGD	
Cn1cnc2cc(C(=O)NNC(=O)CC3CCCC3)ccc21	156422549	ROCBIAZGQCXYFS-UHFFFAOYSA-N	300.362	1.915	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(-c3nnc(C)[nH]3)cc2)nc1	159251751	CTGXPIMUNRZFGM-UHFFFAOYSA-N	324.344	1.941	50	20	DDGD	
CCCn1ccc2cc(NC(=O)NNC(=O)CN(C)C)ccc21	159662434	CCNUYSPZLUWNPA-UHFFFAOYSA-N	317.393	1.766	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](C)C1(N2CCOCC2)CCCC1	159702867	VRLYCXUZRIKMAD-RHIYTYFCSA-N	321.421	1.580	50	20	DDGD	
C[C@@H]1CN(S(=O)(=O)CCl)C[C@H]1NC(=O)OC(C)(C)C	831280791	ODGMYACVJKBYMF-RKDXNWHRSA-N	312.819	1.358	50	20	DDGD	
O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)[C@@H](F)Cl	2088604871	BTMVCGFPEGDBLP-CHWSQXEVSA-N	318.751	1.850	50	20	DDGD	
Cc1ccc(O)c(C(=O)NNc2nc(-c3ccncc3)no2)c1	102185662	VFYAPZXKVGRMFP-UHFFFAOYSA-N	311.301	1.903	50	20	DDGD	
CCOC(=O)NNS(=O)(=O)c1ccc(CCCl)cc1	55555496	ICPCISJZDLYURZ-UHFFFAOYSA-N	306.771	1.407	50	20	DDGD	
CCn1c(SCC(=O)NNC(=O)NC)nc2ccccc21	56376564	DMSAZIAJWFYENX-UHFFFAOYSA-N	307.379	1.109	50	20	DDGD	
O=C(Cn1ccc([N+](=O)[O-])n1)NNc1cc(F)c(F)cc1F	115718096	NVEFPNGSEXISTB-UHFFFAOYSA-N	315.211	1.352	50	20	DDGD	
CC(=O)NCc1ccc(C(=O)NNC(=O)CC(C)(C)C)cc1	103199021	WWSJGCJMTVJTIZ-UHFFFAOYSA-N	305.378	1.520	50	20	DDGD	
CCNC(=O)NNC(=O)CCc1ccc(-c2ccccc2)[nH]1	65189340	LRLJDXRIUMOXPA-UHFFFAOYSA-N	300.362	1.965	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)CCCNC(=O)c1ccccc1	60526280	HKIJBNHZCZOXFI-UHFFFAOYSA-N	321.377	1.753	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)Cc1ccc(OC(F)F)cc1	61224908	HGPRSDCUJOPTAM-UHFFFAOYSA-N	323.299	1.630	50	20	DDGD	
CCNC(=O)CCC(=O)NNC(=O)CCCc1ccccc1	110698282	HOKRWEQZAIRGJM-UHFFFAOYSA-N	305.378	1.073	50	20	DDGD	
Cn1/c(=N\NC(=O)C2(C#N)CCOCC2)sc2ccccc21	171761891	CQBOACHNQOCXIH-NBVRZTHBSA-N	316.386	1.492	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)Cc2ccccc2F)cn1	66785201	RXMRYJCCKNEGMJ-UHFFFAOYSA-N	317.320	1.623	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cn1	112824531	NKJUEVUGGRXMKL-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
Cn1ncc([N+](=O)[O-])c1C(=O)NNc1ccc(Cl)c(F)c1	128388210	NQYYSVQSOLNULJ-UHFFFAOYSA-N	313.676	1.878	50	20	DDGD	
O=S(=O)(N[C@H]1CCOC1)c1ccc(CCCCl)cc1	178827971	YJYZYMSIARRJGZ-LBPRGKRZSA-N	303.811	1.925	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)c1cccc(C#N)c1)[C@@H]1CCCO1	124419949	UHMGHELHBCHKIM-KGLIPLIRSA-N	316.361	1.460	50	20	DDGD	
COc1ccc(C(=O)NNc2cc(C)nc(C)n2)cc1OC	128748198	ZWKAGKBFTCPIAK-UHFFFAOYSA-N	302.334	1.868	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)ncn1	123075129	PBKBGOHIFZRDMD-UHFFFAOYSA-N	304.737	1.442	50	20	DDGD	
CC(=O)N[C@H](CC(=O)NNC(=O)NC1CC1)c1ccc(C)cc1	68270334	DIBDSYAICKRFME-CQSZACIVSA-N	318.377	1.055	50	20	DDGD	
COc1ccc(NNC(=O)N[C@H](C)c2cn(C)nc2C)nc1	188977803	ZUEFPLYWEZECBG-SECBINFHSA-N	304.354	1.519	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)CCO)cc1-c1ncco1	127017661	YIGBDVACCIZQQT-UHFFFAOYSA-N	304.306	1.185	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNC(=O)c2ccc[nH]2)ccc1C	122322727	UYMAWWLBJDJWMH-UHFFFAOYSA-N	300.318	1.356	50	20	DDGD	
C[C@H](C1CC1)n1cc(NC(=O)NNC(=O)c2cccnc2)cn1	189705603	LSLZYSVOKSQTKH-SNVBAGLBSA-N	314.349	1.716	50	20	DDGD	
CC(C)(C)CCCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	121246083	AUBISHQBMCKMBN-ZDUSSCGKSA-N	305.444	1.194	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1oc2ccccc2c1C	73555436	FUWGDSFTTMCDNI-UHFFFAOYSA-N	306.318	1.165	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccc(NC(=O)C2CC2)cc1	122634492	LXUIAONFULLIQU-UHFFFAOYSA-N	315.308	1.721	50	20	DDGD	
COc1cc(F)ccc1NC(=O)NNC(=O)Cc1ccncc1	183603862	CRRMUGAGRICARR-UHFFFAOYSA-N	318.308	1.625	50	20	DDGD	
Cn1ccc2ccc(NC(=O)NNC(=O)Cc3ccncc3)cc21	186107440	RNCQRZMQSIIWHT-UHFFFAOYSA-N	323.356	1.969	50	20	DDGD	
CCc1c(C(=O)NNC(=O)c2ccccn2)cnn1C(C)(C)C	44820005	CKBPMGRACPQRIT-UHFFFAOYSA-N	315.377	1.670	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)NCc1ccoc1	47088837	QSTMZRJAXRMJLH-UHFFFAOYSA-N	307.281	1.328	50	20	DDGD	
Cc1cccc(S(=O)(=O)NNC(=O)c2ccccc2)c1C#N	137190424	QAQDMCKOMRWNRM-UHFFFAOYSA-N	315.354	1.490	50	20	DDGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCCO)c1C	229858895	VTQUKQUAXBDQIJ-AAWHYMEISA-N	305.378	1.328	50	20	DDGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCC#N)c1C	195453840	WQFOPGLIFMAGBG-AAWHYMEISA-N	300.362	1.859	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)c1ccc[nH]1	132402300	RNMICEXHDBQOJF-UHFFFAOYSA-N	305.359	1.577	50	20	DDGD	
O=C(NNc1ncccn1)c1ccc(OC[C@@H]2CCCO2)cc1	46577173	TZJLFDMKUUJFBM-AWEZNQCLSA-N	314.345	1.791	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)[C@H]1CCCOC1	191616541	OCPGIPQBJBKSFW-NSHDSACASA-N	311.769	1.597	50	20	DDGD	
COc1ccccc1-n1ncc(C(=O)NNc2ncccn2)c1C	195066710	DZNMZNOTRBFSGP-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNC(=O)C1CCC1)c1ccccc1	264704354	BVTIAJNBAVCFQU-CQSZACIVSA-N	304.394	1.420	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)c1cccc(Cl)c1)C(C)C	266690664	CBBZKVJBOPYLAK-GFCCVEGCSA-N	313.785	1.955	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCCCC(=O)OC)c1ccccc1	264794163	YQTLWZXMKTZJNM-ZDUSSCGKSA-N	321.377	1.464	50	20	DDGD	
O=C(C[C@@H]1CCCCO1)NNC(=O)c1ccc(Cl)cc1O	268019195	SKPOXNHICRKEQF-JTQLQIEISA-N	312.753	1.766	50	20	DDGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(F)cc1C(=O)N(C)C	274472580	YRGXSOKJFOJVIN-MDZDMXLPSA-N	305.309	1.910	50	20	DDGD	
CCOCCOC1CN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1	273260356	QCVNZDTZGVLDOL-ZROIWOOFSA-N	318.348	1.997	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1C(=O)NNC(=O)Cc1ccc(F)cc1	278715858	GYZLZBYXAGKBGR-UKRRQHHQSA-N	306.337	1.497	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1ccc(N2CCOC2=O)cc1	272319849	IFOOPQSCMHCMKN-UHFFFAOYSA-N	318.333	1.596	50	20	DDGD	
CS[C@H](C)CC(=O)NNC(=O)[C@H]1COc2ccccc2O1	270128274	MWALUEQCODFSAV-BXKDBHETSA-N	310.375	1.115	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)C1(c2ccccc2F)CCCC1	278040657	VTLFTVBILOQUKJ-UHFFFAOYSA-N	308.353	1.556	50	20	DDGD	
O=C(NNC(=O)c1csc([C@H]2CCCO2)n1)c1ccccn1	270104369	HJQKMSBRWDHPPC-LLVKDONJSA-N	318.358	1.464	50	20	DDGD	
O=C(NCc1cnc2n1CCCC2)NNc1ncccc1F	376425299	ZIQOMNFQJQCEQF-UHFFFAOYSA-N	304.329	1.580	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC=C(C#N)CC1	272619402	IOWQSYSFWFCLLB-UHFFFAOYSA-N	300.318	1.997	50	20	DDGD	
O=C(C[C@@H]1COCCN1)NNc1c(Cl)cccc1Cl	285717922	TWLIIVBPIMIEBH-MRVPVSSYSA-N	304.177	1.815	50	20	DDGD	
O=C(NC[C@@H]1CCCOC1)NNc1ccc2c(O)nccc2c1	287162843	MNNNAHUNWJVUCV-NSHDSACASA-N	316.361	1.993	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1c(-c2ccncc2)noc1C	374005178	DOYUDMDTUKURAX-UHFFFAOYSA-N	317.374	1.340	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@H](C(=O)NNc2ncccc2F)C1	285995627	NXIADNCNWCUNSX-NSHDSACASA-N	322.384	1.949	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)c1	287221077	RLULDHMPLXOBCY-AWEZNQCLSA-N	322.430	1.961	50	20	DDGD	
CCOC(=O)CC(C)(C)CC(=O)NNC(=O)c1ccc(C)o1	287841727	QNEWPXPOLHQOPD-UHFFFAOYSA-N	310.350	1.719	50	20	DDGD	
CC1CCN([C@@H](C)CNC(=O)NNc2cccc(F)n2)CC1	287036754	MFCRDQXZHTWIFE-LBPRGKRZSA-N	309.389	1.967	50	20	DDGD	
CC(C)CS(=O)(=O)CCC(=O)NNc1ncccc1F	286032714	QLZWNLQKXIEYJS-UHFFFAOYSA-N	303.359	1.125	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)Nc2nncn2C2CC2)cc(C#N)n1C	285896007	RQWXZCVQCVBCCU-LFYBBSHMSA-N	321.344	1.677	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)NC[C@@H](C)c2ccc(F)cc2)O1	297430700	ZPFGMTOWFNDPTG-SUNKGSAMSA-N	323.368	1.827	50	20	DDGD	
COc1cccc(F)c1C(=O)NNC(=O)N=c1cc[nH]cc1	802029226	JNOVJNSUZTXOAZ-UHFFFAOYSA-N	304.281	1.118	50	20	DDGD	
C[C@H](OCc1ccccc1)C(=O)NNC(=O)N=c1cc[nH]cc1	802024303	MSWWQIYLIQGXBW-LBPRGKRZSA-N	314.345	1.262	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)Cc2c[nH]c3ccccc23)O1	800315614	YPIDOYIGLRIPNN-UVWXRNBGSA-N	315.373	1.671	50	20	DDGD	
CSC[C@H]1CCCN(CC(=O)NNC(=O)c2ccccc2)C1	292466947	QZLQFSNVKAMONR-ZDUSSCGKSA-N	321.446	1.523	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1cn(C(C)C)nn1	807948132	XAROPPQBFJRFJI-UHFFFAOYSA-N	317.349	1.397	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NNc1ncccc1F	804214564	KDMLSCLODZSHJG-ZANVPECISA-N	303.293	1.892	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)CC[C@@H]1CCCO1	298294484	DQRRJZCXOBCAKF-LBPRGKRZSA-N	321.377	1.214	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)C1(C#N)CCC1	294774115	YNBZTKSVKYPBMS-UHFFFAOYSA-N	322.390	1.074	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccccc2OC2CC2)O1	293824398	FPEFJFQPITUDRE-HZMBPMFUSA-N	304.346	1.556	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NN=Cc2cnccn2)n[nH]1	807975688	FAUBPOISEGBQLF-UHFFFAOYSA-N	322.328	1.639	50	20	DDGD	
Cc1c(C(=O)NNC(=O)N=c2cc[nH]cc2)cccc1[N+](=O)[O-]	802027194	WPBNXETXTUMILE-UHFFFAOYSA-N	315.289	1.187	50	20	DDGD	
Cn1ccnc1CNC(=O)NNc1ccc2c(=O)[nH]ccc2c1	806724987	AVLDXZWYEDSQKZ-UHFFFAOYSA-N	312.333	1.088	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)C(=O)N1CCc2cc(F)ccc21	802566816	GGGPKJZGTWYDSB-UHFFFAOYSA-N	319.336	1.052	50	20	DDGD	
CC[C@H](CNC(=O)NNc1cccc(S(C)(=O)=O)c1)OC	291518729	RKBAFVJUBDYHGZ-LLVKDONJSA-N	315.395	1.141	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)C(C)(C)C)c(OC)c1	298951640	LPJVLBGHIUSXPA-UHFFFAOYSA-N	309.366	1.580	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1n[nH]c2c1CCCC2	803436901	CIBUOOQPHDZYNG-UHFFFAOYSA-N	323.356	1.887	50	20	DDGD	
Cc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)[C@@H]1CCCCO1	295608109	GHIAGLCKEUKPLS-NSHDSACASA-N	307.306	1.233	50	20	DDGD	
C[C@H]1C[C@@H](CO)CCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	291825361	DTTKNOYUSYUOTO-MBZALIHDSA-N	300.358	1.919	50	20	DDGD	
Cc1cc(O)nc2cc(C(=O)NNC(=O)c3cccnc3)ccc12	809546216	YONWCUGNVSKZDA-UHFFFAOYSA-N	322.324	1.719	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)[C@H](C)N2CCSCC2)c1	293829879	DOIIYNHAKYNWSE-NSHDSACASA-N	322.434	1.525	50	20	DDGD	
O=C(NN=C1CC[C@@H](c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1	814781204	BBDIRHYUCMLUQX-ZIAGYGMSSA-N	320.414	1.861	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1cccc(-n2cnnc2)c1	814821302	PNMTWYUBFUQUNX-UHFFFAOYSA-N	314.349	1.033	50	20	DDGD	
NC(=O)Nc1ccc(C(=O)NNc2cccc(Cl)n2)cc1	817010322	WIMRTJVPRNXWAU-UHFFFAOYSA-N	305.725	1.983	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@](C)(O)C1CCC1)c1ccccc1	813445899	LPJYZYCFLCFEJT-QGZVFWFLSA-N	304.390	1.663	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)Cc1ncccc1OC	816338347	GBLVMTQPBKPGFU-UHFFFAOYSA-N	305.309	1.924	50	20	DDGD	
O=C(NCC(Cl)Cl)c1ccoc1C1(O)CCOCC1	819793986	HZZBZZOZLNVLKT-UHFFFAOYSA-N	308.161	1.811	50	20	DDGD	
CCn1nncc1C(=O)NNC(=O)NCc1ccc(Cl)cc1	816397031	ZVTTXHYLFVTBIU-UHFFFAOYSA-N	322.756	1.096	50	20	DDGD	
CCCCc1nc(C=NNC(=O)Cc2cc[nH]n2)c(Cl)[nH]1	814954699	KFNMYOOJPVGGHR-UHFFFAOYSA-N	308.773	1.822	50	20	DDGD	
CSCc1cnc(C=NNC(=O)N=c2cc[nH]cc2)s1	815002975	ZHUOCFFHDQTDMN-UHFFFAOYSA-N	307.404	1.979	50	20	DDGD	
CO[C@@H]1CCC[C@@H](C(=O)NNC(=O)Cc2ccccc2F)C1	814409417	IBGNWOXIYXTLDS-CHWSQXEVSA-N	308.353	1.721	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1c(Cl)cncc1Cl	815505924	CHTMGHUONDLCOX-UHFFFAOYSA-N	314.132	1.495	50	20	DDGD	
Cc1c(Br)cccc1CC(=O)NN(C)[C@@H](C)CO	823928258	LVCVYRXKDWYTRN-VIFPVBQESA-N	315.211	1.644	50	20	DDGD	
CN(C)[C@@H](CNC(=O)/C(C#N)=C/c1cnn(C)c1)c1ccco1	490970494	HEMOIGBBYKKCSU-GUNGLEHYSA-N	313.361	1.339	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H]1CCN(c2ncccc2F)C1	490815063	YSWUTWUZUYNPME-NLYDNYMLSA-N	304.325	1.360	50	20	DDGD	
CCOC(=O)Nc1scnc1C(=O)NNC(=O)c1ccc[nH]1	496274403	LOSGWIWQSWHZQW-UHFFFAOYSA-N	323.334	1.114	50	20	DDGD	
O=C(/C=C\c1ccc2[nH]ccc2c1)NNC(=O)Cc1ccncc1	492316158	FESZZRHRQMSGLW-RQOWECAXSA-N	320.352	1.966	50	20	DDGD	
CC(C)(C)NC(=O)CCNC(=O)NNc1cccc(C#N)c1	728131196	KSMABKGFWPDGDN-UHFFFAOYSA-N	303.366	1.489	50	20	DDGD	
COc1ccc(C(=O)NN(C)[C@@H](C)CO)c(OCC(C)C)c1	823936094	ZSMSVZUTVLEUST-LBPRGKRZSA-N	310.394	1.687	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cn(C)nc1C1CCCCC1	726770493	WZJMBQWFVDMFRC-UHFFFAOYSA-N	307.398	1.822	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)CSC2CC2)cc1C	822195694	BOBMHQUNFOPNPB-UHFFFAOYSA-N	308.403	1.725	50	20	DDGD	
CCN(CCO)NC(=O)c1cnn(-c2ccccc2C)c1C	823846299	HWRFLFMLLFKJPX-UHFFFAOYSA-N	302.378	1.448	50	20	DDGD	
CCC(=NNC(=O)CCNC(=O)OC(C)(C)C)[C@@H]1CCOC1	495276384	NFUPUOXQKPUOPO-LLVKDONJSA-N	313.398	1.820	50	20	DDGD	
Cc1nnc(CC(=O)NNC(=O)CCCc2ccccc2)s1	825745049	UKPYGTSLMRLSIB-UHFFFAOYSA-N	318.402	1.559	50	20	DDGD	
CON1CCC(NC(=O)/C(C#N)=C/c2ccc(F)cc2)CC1	491014951	ZBOASKVUEBXATC-JLHYYAGUSA-N	303.337	1.875	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccc(N2CCNC2=O)c1C	496138505	FELFWOCJABRSHQ-UHFFFAOYSA-N	321.337	1.307	50	20	DDGD	
CC(C)C[C@@H]1CCCN(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)C1	827289499	TXTYETMRYFDSHF-IHRRRGAJSA-N	311.426	1.910	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)[C@H](C)c1ccccn1	827306266	FRFGDBVHHOUJLU-WOPDTQHZSA-N	306.366	1.240	50	20	DDGD	
OB(O)c1cccc(CN[C@H]2COc3cc(Cl)ccc3C2)c1	585047582	RUWKVWHZLBURFD-OAHLLOKOSA-N	317.581	1.113	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CCCC[C@@H]1c1cccn1C	827958367	TWIJNXHOGHQJSQ-CQSZACIVSA-N	306.410	1.356	50	20	DDGD	
Cc1cccnc1[C@@H](NCc1ccc(B(O)O)cc1F)C(C)C	585029295	QKMKTMUAVRBNPS-INIZCTEOSA-N	316.185	1.696	50	20	DDGD	
CCN(CCO)NC(=O)c1ncc(C(F)(F)F)cc1Cl	823376973	MLMDISRPSFAWHT-UHFFFAOYSA-N	311.691	1.713	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccccc1C(F)F	824526665	AIPIHYRFHWSXJT-UHFFFAOYSA-N	313.304	1.756	50	20	DDGD	
O=C(C[C@@H]1CCOC1)NNC(=O)C12CC3CC(CC(C3)C1)C2	739469786	CBBCQFWCFQQXEL-GVMDUPDNSA-N	306.406	1.777	50	20	DDGD	
O=C(/C=C\[C@@H]1CCOC1)NNC(=O)Cc1c[nH]c2ccccc12	493806011	BRCNZYJGJWEZSU-FOQNGQEVSA-N	313.357	1.451	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC=C(c2ccco2)C1	827266668	DDFUBWQMABBRKO-WCQYABFASA-N	319.361	1.535	50	20	DDGD	
Cn1ncc(C2CC2)c1C(=O)NNC(=O)c1ccc(C#N)cc1	824694574	PGDGEACYDGYEMZ-UHFFFAOYSA-N	309.329	1.244	50	20	DDGD	
CC1CCN([C@H](C)CNC(=O)/C(C#N)=C\c2cnn(C)c2)CC1	491107569	VUFBWYKFNDYYSD-MEFZMRIGSA-N	315.421	1.564	50	20	DDGD	
C[C@H](Cc1cccs1)N(C)C(=O)c1ccc(B(O)O)cc1	584957242	MYDCPDYQTQVUNM-LLVKDONJSA-N	303.192	1.131	50	20	DDGD	
O=C(CCCn1ccccc1=O)NNc1ccc(Cl)nn1	735688798	WDNNYIJHFWBPQS-UHFFFAOYSA-N	307.741	1.215	50	20	DDGD	
Cc1ccc(F)c(C=NNC(=O)[C@H](C)CN2CCOCC2)c1	734978481	JLRDLPLYYPJWHU-CYBMUJFWSA-N	307.369	1.553	50	20	DDGD	
O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@@H](B(O)O)C3)o2)c1	585077762	YBFRPEHSOZOWGE-GFCCVEGCSA-N	316.122	1.904	50	20	DDGD	
C[C@H](CNC(=O)NNc1ncc(F)cc1F)N1CCCCC1	837767947	QFZLDRNEKPPDNL-SNVBAGLBSA-N	313.352	1.860	50	20	DDGD	
CCOC(=O)Cn1ccc2cc(NC(=O)NNC(=O)O)ccc21	737144257	MBNOHAXUQULNSP-UHFFFAOYSA-N	320.305	1.509	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C#CC(C)(C)C)cc1	837315257	RFMOLWDKPZZAAK-UHFFFAOYSA-N	301.346	1.130	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N(CC1CCC1)CC1CC1	584984272	TVKOEUWMSWDEKK-UHFFFAOYSA-N	305.158	1.158	50	20	DDGD	
Cc1ccc(NNC(=O)CCCN2C(=O)CNC2=O)c(Cl)c1	836937266	AMLUGTPFFQTWGP-UHFFFAOYSA-N	324.768	1.424	50	20	DDGD	
CCS(=O)(=O)C[C@H](C)NC(=O)[C@]1(C)C[C@H]1Br	906690435	GFSKKLATTAQKEO-QXFUBDJGSA-N	312.229	1.099	50	20	DDGD	
O=S(=O)(CCl)N1CCN(Cc2cccc(F)c2)CC1	830889418	PNILGHKWDBEGHP-UHFFFAOYSA-N	306.790	1.469	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)c1ccccc1F)C(F)(F)F	733353450	MRGASQNZXRJCHB-SECBINFHSA-N	323.246	1.347	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CC[C@@H](c3cccc(F)c3)C2)cc1	585039095	NKDCIRSAXQYIGH-QAPCUYQASA-N	313.181	1.931	50	20	DDGD	
Cc1cc(NNC(=O)c2cc(O)nc3ccc(F)cc23)ncn1	738542035	ZBQNXFMKFVIGPN-UHFFFAOYSA-N	313.292	1.935	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2cccc(OCCC(=O)O)c2)cn1	735411990	GCFCSANRJMEBFT-UHFFFAOYSA-N	316.317	1.038	50	20	DDGD	
Cc1ccc(CN2CCCC2)cc1NCc1ccc(B(O)O)o1	585016774	YYNVLJPRWBAACV-UHFFFAOYSA-N	314.194	1.476	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)C2CCC2)c(Br)s1	839682074	XKNDFLDGMNIIHQ-UHFFFAOYSA-N	318.196	1.775	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N(C)Cc1ccoc1	731499965	TYDGQJPJRNKPFE-UHFFFAOYSA-N	303.318	1.775	50	20	DDGD	
COC(=O)CCN(c1ccccc1C)S(=O)(=O)CCl	831105708	SFWRNLBWRFSSHR-UHFFFAOYSA-N	305.783	1.891	50	20	DDGD	
CC[C@@H]1C[C@@H](Cc2nc(-c3ccc(B(O)O)cc3)no2)CCO1	585053413	FWRIYHJWOSPDJV-SMDDNHRTSA-N	316.166	1.164	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC[C@H]2CC2(Cl)Cl)n[nH]1	831424511	NDIYXJGWLZFWAG-ZETCQYMHSA-N	305.165	1.453	50	20	DDGD	
CC[C@@](C)(CNC(=O)NNC(=O)c1cccc(C#N)c1)OC	836275955	CKPFUAWGCOZEPW-HNNXBMFYSA-N	304.350	1.317	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)[C@H]1COc2ccccc2O1)C1CCC1	837310349	AMIIJLRBKYWHLE-QMTHXVAHSA-N	304.346	1.410	50	20	DDGD	
O=C(CC1OCCO1)NNc1cc(Cl)ccc1[N+](=O)[O-]	836823278	RGHRCJRQWQROHN-UHFFFAOYSA-N	301.686	1.454	50	20	DDGD	
CCC(C)(C)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1	837311649	SBNDBWYHXMHIAE-CYBMUJFWSA-N	322.361	1.179	50	20	DDGD	
O=C(NNC(=O)c1cc(-c2cccs2)[nH]n1)c1cccnc1	916094992	NGSRTZBELSFBLI-UHFFFAOYSA-N	313.342	1.608	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H](C)C2CCC2)c1	837311395	UTHFUTCCXXJHFT-JTQLQIEISA-N	306.362	1.901	50	20	DDGD	
Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNC(=O)CC(F)(F)F	746876351	IHVVDTCMRLZSEJ-ZCFIWIBFSA-N	306.288	1.240	50	20	DDGD	
C[C@]1(c2ccccc2)C[C@@H]1NC(=O)NNC(=O)CC(F)(F)F	745858747	SUBGRJLSIFOGJF-GXFFZTMASA-N	315.295	1.999	50	20	DDGD	
COC(=O)[C@]1(C)CCCN(S(=O)(=O)CCCCCl)C1	841568055	LAWQTHFJSPDGIK-GFCCVEGCSA-N	311.831	1.610	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)CCOc1ccccc1)C1CC1	747102284	MDTDMCQZWWJSBL-LBPRGKRZSA-N	305.378	1.832	50	20	DDGD	
COc1ccc2c(c1)C(=NNC(=O)C(=O)N1CCCC1)CC2	747629527	BAXTXGKOLAUSTJ-UHFFFAOYSA-N	301.346	1.084	50	20	DDGD	
C[C@@H]1C[C@H]1c1ccc(CNC(=O)NNC(=O)c2ccc[nH]2)o1	918078001	LNKIXKADIHHELN-MWLCHTKSSA-N	302.334	1.875	50	20	DDGD	
C#CCSCCNC(=O)NNC(=O)c1cc2c(s1)CCC2	740071408	LGQXIELMBQXXCX-UHFFFAOYSA-N	323.443	1.547	50	20	DDGD	
CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)NN(C)C[C@@H](C)O	910161333	XCHOFPLEEQNPBV-ABAIWWIYSA-N	317.430	1.271	50	20	DDGD	
CC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)[C@@H](C)OCCOC	748613077	CYVMYRGQXNUQAU-JHJVBQTASA-N	315.414	1.337	50	20	DDGD	
Cc1ccc(-c2cc(C(=O)NNC(=O)C3CCCC3)n[nH]2)o1	918091014	LVQWTTZNLYCBJR-UHFFFAOYSA-N	302.334	1.929	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)CC1(O)CCCCC1	746094875	UHEVMWWIVFCBII-UHFFFAOYSA-N	324.352	1.437	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1sccc1-n1cccc1	843976353	XVZIUUUTPSNPFG-QWRGUYRKSA-N	319.386	1.725	50	20	DDGD	
C[C@H](C(=O)NNc1ncncc1Cl)C(=O)OC(C)(C)C	840431432	XURRJXDAGJWQQT-SSDOTTSWSA-N	300.746	1.551	50	20	DDGD	
NCCCC(=O)NNC(=O)N[C@H](c1ccccc1)C(F)(F)F	841195638	BAJPGJSMYBJSNP-LLVKDONJSA-N	318.299	1.359	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1[N+](=O)[O-]	843646692	LBSGXDSPLCMSSR-UWVGGRQHSA-N	307.306	1.089	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccc2c(c1)OCO2	843660113	KPSXQKMBWZHCST-JBLDHEPKSA-N	320.345	1.091	50	20	DDGD	
O=C(NN=Cc1c[nH]nc1-c1ccc2c(c1)OCO2)c1ccc[nH]1	917541141	PLFMTYABNYLYBN-UHFFFAOYSA-N	323.312	1.897	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)C(=O)NC(CC)CC)C12CCC2	741165299	JRNKDADKFVVALN-ZDUSSCGKSA-N	309.410	1.743	50	20	DDGD	
CC(C)C(=O)NNC(=O)c1oc2ccccc2c1CN(C)C	740738861	SANYDAHFSDQUCR-UHFFFAOYSA-N	303.362	1.911	50	20	DDGD	
Cc1ccc(C(=O)N[C@@H](C(=O)NN(C)C[C@@H](C)O)C(C)C)cc1	910181712	CPOPOEOSCCJKTB-UKRRQHHQSA-N	321.421	1.093	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cc2ccccc2nc1O	748252499	FXHCPJWEPKLZPP-NSHDSACASA-N	317.345	1.442	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN=Cc1ccc(Br)nc1	842563372	ZCPBSTQOMDSEJX-WCBMZHEXSA-N	312.167	1.719	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H]1CCCN1Cc1ccc(F)cc1	747345272	LQPATXNGCWABDF-CQSZACIVSA-N	307.369	1.594	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCc2ccccc2C1)[C@@H]1CCCCO1	844553245	RFOGIQFBXSTGEK-CABCVRRESA-N	302.374	1.508	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)NCCc1cccs1)C(F)(F)F	742583328	JBWAGIJBLWZACR-ZETCQYMHSA-N	309.313	1.819	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2c(C)nn(C)c2C)cc1	916296970	XBHWZBRURIEKKK-UHFFFAOYSA-N	316.361	1.575	50	20	DDGD	
CC(=NNC(=O)c1nn(-c2ccccc2)cc1O)[C@@H]1CCOC1	741757450	RIOPCHISDDWFJK-GFCCVEGCSA-N	314.345	1.720	50	20	DDGD	
CN(C)[C@@H]1CCC[C@H](NC(=O)NNC(=O)CC(F)(F)F)C1	749589121	GLLPNNQGVNMUIA-DTWKUNHWSA-N	310.320	1.142	50	20	DDGD	
C[C@H]1CC(=NNC(=O)CNc2ccccc2F)c2ncnn21	841602438	GCDYJJWRXNDXIN-VIFPVBQESA-N	302.313	1.314	50	20	DDGD	
C#CCO[C@@H](C)C(=O)Nc1cccc(NC(=O)NN(C)C)c1	843872281	ZBQKEQZYCZHCLJ-NSHDSACASA-N	304.350	1.262	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@@H]2CSC[C@@H]2C)cc1	845192519	GSLNXWVTOKPANP-GXFFZTMASA-N	323.418	1.780	50	20	DDGD	
C[C@H]1CCC[C@@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)C1	745152689	DNUUEDKWUJVEIP-GXTWGEPZSA-N	318.373	1.817	50	20	DDGD	
CCn1ncc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)n1	840734099	XPHQLWYYWFYVGS-JYRVWZFOSA-N	311.345	1.530	50	20	DDGD	
CCN1CCC[C@@H](NC(=O)/C(C#N)=C/c2ccc(O)cc2)C1=O	928877048	ZNPCBXNIBFMYSK-NRMKIYEFSA-N	313.357	1.426	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1ccc2c(c1)OCO2)n1ccnc1	920397213	YPYHVVXNMBXUPR-JTQLQIEISA-N	316.317	1.024	50	20	DDGD	
O=C(CN1CCCC1=O)NNC(=O)c1ccc2ccccc2c1	920826024	HMYGIABYYFVIFJ-UHFFFAOYSA-N	311.341	1.223	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1cc[nH]n1)[C@@H]1OCCc2sccc21	855355931	JHCSVZAQDDGIOB-UFBFGSQYSA-N	320.374	1.182	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)c2cccc(C#N)c2)[C@@H]1C	859193356	WTLWNBOZMUQMFA-DEKYYXRVSA-N	301.346	1.379	50	20	DDGD	
CO[C@@H]1CCN(C(=O)NNC(=O)c2cccc(F)n2)CC1(C)C	852710249	MDLKKBOBCMQHLL-LLVKDONJSA-N	324.356	1.322	50	20	DDGD	
CCc1c(C(=O)NN(C)C(=S)NC)cnn1C1CCCC1	854920714	SWEUKTUOIRIRHI-UHFFFAOYSA-N	309.439	1.642	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc3nsnc3c2)nc(C)n1	753416625	NLYUBKIMRGQTSV-UHFFFAOYSA-N	300.347	1.855	50	20	DDGD	
NC(=O)[C@H]1CC[C@H]1C(=O)NNc1nc2ccc(Cl)cc2s1	856234482	AFWXOPOOJDYMSK-JGVFFNPUSA-N	324.793	1.904	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cccc(CC#N)c1	854279935	HFFCLKBSGXIXDP-UHFFFAOYSA-N	320.418	1.240	50	20	DDGD	
CN(C)CCOCCNC(=O)NNc1ccc(F)cc1Cl	922146048	ZVDSYHDKRRTRRS-UHFFFAOYSA-N	318.780	1.683	50	20	DDGD	
C#C[C@@H](CC)NC(=O)NNC(=O)c1cc(OC)cc(OC)c1	753272052	GWSJIBDVWRENFC-NSHDSACASA-N	305.334	1.060	50	20	DDGD	
O=C(Cn1ccccc1=O)NNC(=O)Nc1ccc(Cl)cc1	750627021	URDUUHIWJDHGCA-UHFFFAOYSA-N	320.736	1.355	50	20	DDGD	
CCn1cc([C@@H]2OCC[C@H]2C=NNC(=O)c2ccccn2)cn1	853254883	KCYZYVXPQCXMSF-SWLSCSKDSA-N	313.361	1.791	50	20	DDGD	
COCCN1CCC(NC(=O)NNc2cccc(C#N)c2)CC1	920814179	BPNSPDNVJDRUHE-UHFFFAOYSA-N	317.393	1.295	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@H](CO)c1cccc(F)c1	753339143	HMKFUEIESVLUQW-CYBMUJFWSA-N	309.341	1.380	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@H]2C=NNC(=O)c2ccncc2)cn1	853255178	VJVSHHCYBXXDCI-DZGCQCFKSA-N	313.361	1.699	50	20	DDGD	
Cc1ccc(F)cc1NNC(=O)CCCN1C(=O)CCC1=O	855367766	QSINJOIRERETRH-UHFFFAOYSA-N	307.325	1.506	50	20	DDGD	
Cc1cnccc1CCNC(=O)NNC(=O)c1ccccc1F	755088978	GWFIDLSBRUTPQE-UHFFFAOYSA-N	316.336	1.716	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccccc1CSc1nc[nH]n1	920397010	GHILMNHPHYVNPY-UHFFFAOYSA-N	317.374	1.268	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NNC(=O)NC1CC1	858778612	PDJFHQUWZOUASR-VIFPVBQESA-N	314.386	1.125	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1CN(C)C[C@H]1c1ccccc1	858778189	CMPGGVWEOHDMAZ-LSDHHAIUSA-N	318.421	1.462	50	20	DDGD	
CN(C)C(=O)c1ccc(NC[C@]2(C)C[C@@H]2Br)nn1	856786822	KAFSAAROZFRHJW-CABZTGNLSA-N	313.199	1.764	50	20	DDGD	
CC(=O)NCC(C)(C)C(=O)NC[C@@]1(C)C[C@H]1Br	857384947	CILAKDQUTUZTAM-BXKDBHETSA-N	305.216	1.438	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2ccc3c(c2)OCO3)cn1	757733948	QPLDFPRBKBGZST-UHFFFAOYSA-N	314.301	1.585	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(C(=O)O)c(F)c1	853315770	ZSBWXWZAWJGDBU-SECBINFHSA-N	312.297	1.026	50	20	DDGD	
O=C(NNC(=O)c1cccc(F)n1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21	852204487	CXTAHSCWACRFLH-FOGDFJRCSA-N	322.340	1.122	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)N2CCC[C@@H]2C2CCCCC2)N1	858693852	AECXFUNWNQWRNB-CHWSQXEVSA-N	322.409	1.051	50	20	DDGD	
CCc1cccc2c1N(C(=O)C(=O)NN=c1cc[nH]c(C)c1)CC2	861956773	CTLKCJSAXDLVEV-UHFFFAOYSA-N	324.384	1.407	50	20	DDGD	
CCC[C@H](O)C(=O)NNC(=O)c1c(Cl)cccc1Cl	931793443	CAAFBINPWILINT-VIFPVBQESA-N	305.161	1.915	50	20	DDGD	
O=C(Cc1csc2nccn12)NNC(=O)NCc1ccco1	765119051	LZEQJVVJNIARIT-UHFFFAOYSA-N	319.346	1.062	50	20	DDGD	
CC(C)COC[C@@H](O)CNS(=O)(=O)CC(C)(C)CCl	866832643	FKTBNKQWCNIRMP-NSHDSACASA-N	315.863	1.204	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)c1ccncc1	768627692	DLFCYPFNCWPHMS-UHFFFAOYSA-N	321.358	1.251	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1	867069071	FEGDFGSVPQWWAE-UHFFFAOYSA-N	322.390	1.714	50	20	DDGD	
C#CCC1(c2nc(-c3cccc(B(O)O)c3)no2)CCCCC1	863892600	BQEBFQQEQMHPQM-UHFFFAOYSA-N	310.162	1.642	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cnn(CC2CC2)c1)C1CC1	869218568	NZCBAHJVOWKLGE-VIFPVBQESA-N	307.423	1.201	50	20	DDGD	
CCOc1nccc(C)c1C(=O)NNC(=O)c1ccccn1	765189718	RWWCJWRHMGOHOF-UHFFFAOYSA-N	300.318	1.259	50	20	DDGD	
O=C(NNC(=O)c1cccc(OC2CCCC2)c1)c1cn[nH]c1	862471929	QOCYFFCPLJKFEI-UHFFFAOYSA-N	314.345	1.806	50	20	DDGD	
Cc1cc(C(=O)NNc2ncccc2F)n(C2CCOCC2)n1	861662074	NAXBEEQKTBPPPG-UHFFFAOYSA-N	319.340	1.834	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(F)(F)F)cc[nH]1	862512166	MRCLKTZJBWRCCG-WYUUTHIRSA-N	315.295	1.611	50	20	DDGD	
C[C@@H](O)C[C@@H]1COCCN1S(=O)(=O)CC(C)(C)CCl	867115282	PBVJLKYWFOAYAT-GHMZBOCLSA-N	313.847	1.053	50	20	DDGD	
CCc1cccc2c1N(C(=O)C(=O)NNC(=O)CC(C)C)CC2	763889086	WKHAUMNMAGOSHR-UHFFFAOYSA-N	317.389	1.332	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C2CCc3cc(F)c(Cl)cc32)N1	863151391	LWAHKCBSZMFIIE-GFCCVEGCSA-N	309.728	1.524	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	863881738	UXKCIAACRGIAET-SDDRHHMPSA-N	306.329	1.382	50	20	DDGD	
C[C@@H](NNC(=O)CCc1nc2cccnc2[nH]1)C(F)(F)F	1118942360	GJBFYYIHZDZSPL-SSDOTTSWSA-N	301.272	1.462	50	20	DDGD	
Cc1cccc(NNC(=O)CNC(=O)c2cc(Cl)ccn2)c1	1115832069	BXDJCCHRJMKVID-UHFFFAOYSA-N	318.764	1.917	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)c2ccccc2)cc1C	767790531	BPPUHHJLTKKILW-UHFFFAOYSA-N	314.341	1.844	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=C2CC(C(F)F)C2)c1	766017097	DUEQAQLQKWJEAZ-UHFFFAOYSA-N	316.329	1.851	50	20	DDGD	
C[C@@]1(CNC(=O)NC2CC(C(=O)O)C2)C[C@H]1Br	874408023	MAQIIRAXVRVOTQ-FSOPGCIFSA-N	305.172	1.322	50	20	DDGD	
Cn1c(C(=O)NNc2ncc(Cl)cc2Cl)cccc1=O	775270740	VOIGUGCAQRPVJJ-UHFFFAOYSA-N	313.144	1.844	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H](NC=O)C(C)C)c(C)c1	873760772	WUXLGEABIBITGS-ZDUSSCGKSA-N	322.434	1.392	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)c3ccc(Cl)o3)nc21	770971968	DNMWPLBJVITXQK-UHFFFAOYSA-N	308.685	1.072	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H](C)Oc1ccccc1OC	875320585	VVHFFYLUWCDOFS-JTQLQIEISA-N	311.338	1.375	50	20	DDGD	
COC[C@H](C)NC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])cc1F	777869303	HDNVYZNIZGYJMP-BVBCSLMJSA-N	307.281	1.792	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N[C@H](C)C(C)(C)c1ccccc1	775323120	ZWVRIEJPKUENBY-CHWSQXEVSA-N	305.422	1.888	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@H](C)CN2CCC(C)CC2)cc[nH]1	875741519	DQSIHEOCJXXJOQ-CQSZACIVSA-N	305.426	1.558	50	20	DDGD	
CCC(CC)[C@H](CNC(=O)NN(C)C(=O)OC)N1CCCC1	875048157	OYTCYDDXPPUPTI-ZDUSSCGKSA-N	314.430	1.799	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CC23CCC3)cc1	876428206	VHDVRZWDFUCUCR-CYBMUJFWSA-N	303.362	1.647	50	20	DDGD	
O=C(CC1CCCCC1)NCC(=O)NNc1ccc(F)cn1	874651184	KUEPCBSSMYJZHP-UHFFFAOYSA-N	308.357	1.750	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1c(C)noc1C1CC1	1116771373	NGRIFARNTHAOBN-UHFFFAOYSA-N	315.333	1.646	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1cnccc1N(C)C	776184987	DAIDFAFDXAUIIT-CQSZACIVSA-N	317.437	1.720	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2cccc(F)n2)nc1C	778513217	YUZBFVXQRRWAQM-UHFFFAOYSA-N	319.296	1.253	50	20	DDGD	
C[C@H](NCC(=O)NNC(=O)c1ccc(C#N)cc1)c1ccccc1	774769166	FNUWLFLZJXNXOZ-ZDUSSCGKSA-N	322.368	1.670	50	20	DDGD	
COC(=O)C1(C(=O)NNc2ccnc(Br)c2)CC1	771533958	XVWQBVICKIQFLG-UHFFFAOYSA-N	314.139	1.240	50	20	DDGD	
CC(=O)NC1CCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)CC1	776641286	PFEDNWZIMNGELX-GXDHUFHOSA-N	313.357	1.426	50	20	DDGD	
O=C(NNS(=O)(=O)CCC1CCCC1)NC1CCCC1	882685625	XFAHHRMTUUMWPE-UHFFFAOYSA-N	303.428	1.643	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCC1=CCN(C)CC1	775964779	KFWSQMFNLNWVCD-UHFFFAOYSA-N	310.829	1.730	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1nc(C)c(C)s1	770261568	JWPUHWJOXXIWIN-UHFFFAOYSA-N	319.386	1.772	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC2CCN(C3CC3)CC2)o1	770623721	ZIDHAJIBOYYYPH-UHFFFAOYSA-N	320.393	1.406	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2CCOC3(CCOCC3)C2)n1	884396681	KGDNTVZFMUYWDT-UHFFFAOYSA-N	320.393	1.332	50	20	DDGD	
COC(=O)[C@H](c1ccccc1)N(C)S(=O)(=O)CCCCl	881908894	WCGUDNUTVUAFDX-LBPRGKRZSA-N	319.810	1.791	50	20	DDGD	
COCCOCc1cccc(NC(=O)NNc2ncccn2)c1	775525566	WTBIDQIQHJPHCT-UHFFFAOYSA-N	317.349	1.788	50	20	DDGD	
CCOc1c(Cl)cccc1C=NNC(=O)C(=O)NC1CC1	782179839	PUKFRGRCWUPNLB-UHFFFAOYSA-N	309.753	1.467	50	20	DDGD	
CCOc1ccccc1C(=O)NNc1ccc(-n2ccnc2)nn1	788177815	JUHARHKSERDVHY-UHFFFAOYSA-N	324.344	1.818	50	20	DDGD	
CCC[C@H](C)N1C[C@H](C(=O)NNc2cccc(OC)n2)CC1=O	780771339	LZQIOPCABVPXTP-NWDGAFQWSA-N	320.393	1.570	50	20	DDGD	
COC(=O)[C@@H]1CN(S(=O)(=O)CCCCl)C[C@H]1C1CC1	882328676	SZQWSBSNWQURJB-WDEREUQCSA-N	309.815	1.076	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)CC[C@H]1NC(=O)NC1=O	885123581	ASCJDUSINPRDGR-SECBINFHSA-N	310.741	1.080	50	20	DDGD	
C=C[C@H](CC(=O)NNC(=O)C1CCOCC1)c1ccccc1	883067184	YFGANHZQVXOVHO-CYBMUJFWSA-N	302.374	1.920	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CO[C@H](C)C1	784145131	VIPWXXFKPJLGSD-OUAUKWLOSA-N	310.325	1.165	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@@H]1CC[C@H]2CCC[C@H]2C1	883466905	YWAUUOZETOWDMG-KWCYVHTRSA-N	309.410	1.712	50	20	DDGD	
CN(C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)CCCCl	882008853	YGWFPEIORIDBQW-JHJVBQTASA-N	324.874	1.129	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](O)c2cccc(OC)c2)nc1	781537825	UVTFSWDGQUTRHU-CQSZACIVSA-N	303.318	1.276	50	20	DDGD	
Cc1cc2cc[nH]c2cc1NC(=O)C(=O)NNC(=O)C1CCC1	782117221	LRTACDZNSXYYBR-UHFFFAOYSA-N	314.345	1.362	50	20	DDGD	
Cn1ncc(Cl)c1C=NNC(=O)Nc1ccc(C(=O)O)cc1	780227403	JKUIZJPGVGCNAH-UHFFFAOYSA-N	321.724	1.927	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1cnc(O)c2ccccc12	788001820	OXZQYTALZRCDMP-UHFFFAOYSA-N	321.300	1.364	50	20	DDGD	
COc1ccc(NNC(=O)Nc2cc(C)cn(C)c2=O)nc1	782057408	WHOCOAJTMRMLOP-UHFFFAOYSA-N	303.322	1.246	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)Cc1ccn(C(C)C)n1	780738188	CHADATQWCRNPPP-UHFFFAOYSA-N	316.361	1.936	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@H]1C[C@@H](C)OC1=O)c1ccccc1	896343981	JKZFNBUJUFUSBV-WXHSDQCUSA-N	319.361	1.215	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@@H]2CO[C@H](C)C2)c1	784149590	OAZJCBCGXGRHFW-ZJUUUORDSA-N	311.382	1.877	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1ccccc1Cn1cncn1	781355718	JFVUKLHZBROYTK-UHFFFAOYSA-N	312.308	1.617	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H]2CO[C@H](C)C2)c1C	784141799	CTWQUHONJMTOQT-MRVWCRGKSA-N	320.389	1.643	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	788263755	QFUZUFPNKJCGIS-JPVQUXCTSA-N	306.406	1.677	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)[C@@H]2CCCOC2)c1	788255842	ZIFMUSZRFOGUPN-LLVKDONJSA-N	306.366	1.650	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41	793207806	SIATVRMVOOWFOT-KZOJPVOFSA-N	301.390	1.121	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1cnc2cc[nH]c2c1	899993053	PZSYTDFXRSJOCB-UHFFFAOYSA-N	321.406	1.051	50	20	DDGD	
Cc1cccc(C(=O)NN=C2C(=O)Nc3c(F)ccc(C)c32)n1	794568813	VBJIRNRXFLDEAZ-UHFFFAOYSA-N	312.304	1.924	50	20	DDGD	
COC(=O)c1occc1C=NNC(=O)COc1ccccc1F	794747637	ASXXMJCEDKDULD-UHFFFAOYSA-N	320.276	1.734	50	20	DDGD	
CC[C@@H](C)CC[C@@H](O)CC(=O)NNC(=O)c1ccc(C#N)cc1	793289821	OZSVVBGAYGCBNV-IUODEOHRSA-N	317.389	1.897	50	20	DDGD	
COC(=O)c1occc1C=NNC(=O)c1cccc([N+](=O)[O-])c1	794730261	REZXBBUCUKLZSL-UHFFFAOYSA-N	317.257	1.738	50	20	DDGD	
Cn1cc(C#N)c(NC(=O)NNc2ccc3c(=O)[nH]ccc3c2)n1	794224331	SOWPMHMASGPYGE-UHFFFAOYSA-N	323.316	1.282	50	20	DDGD	
CN(C)C(=O)c1ccnc(NC(=O)NNc2cccc(C#N)c2)c1	794276501	ZZWIOUGFPRUNJU-UHFFFAOYSA-N	324.344	1.804	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@@H](C)c1ccccn1	792797972	JMGYKLSRSZCYTI-LBPRGKRZSA-N	313.357	1.584	50	20	DDGD	
N#CC[C@H](CC(=O)NNC(=O)NCC1CC1)c1ccccc1	793208222	UTTYJLIMGFVJNZ-CQSZACIVSA-N	300.362	1.814	50	20	DDGD	
Cc1cc(C)c(C(=O)NNc2nc3ccccn3n2)cc1C=O	793953289	DSEQGGBLMZLXTL-UHFFFAOYSA-N	309.329	1.916	50	20	DDGD	
O=C(NNC(=O)c1cccc(O)c1O)c1ccc(Cl)cc1O	790558676	IQCPKEVFBYLSCX-UHFFFAOYSA-N	322.704	1.532	50	20	DDGD	
COc1ccc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])cn1	790585103	BJUCQPNRNZECFS-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)C1C2CC3CC(C2)CC1C3	798313142	BAJXVRLWQCPINK-UHFFFAOYSA-N	319.327	1.951	50	20	DDGD	
Cc1cccc(C(=O)NNS(=O)(=O)c2ccc(C)c(C)c2)n1	794599490	GPIPPRUJYIZQJO-UHFFFAOYSA-N	319.386	1.630	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)c1cc(Cl)ccc1O	794901684	IYVKFXMRPXBTNH-QPUJVOFHSA-N	314.769	1.868	50	20	DDGD	
NC(=S)c1ccc(C(=O)NNc2cccc([N+](=O)[O-])c2)cc1	798334554	GZICPAYQFABVBW-UHFFFAOYSA-N	316.342	1.986	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CCCc1ccccn1	790065443	OHSLGCDFYIFESC-UHFFFAOYSA-N	323.393	1.341	50	20	DDGD	
Cn1nc([C@H]2CCCOC2)cc1NC(=O)NNc1ccccn1	790544957	ZLUFPLQUZOXZGM-NSHDSACASA-N	316.365	1.858	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)c2ccc(OC)cc2)cn1	1319964530	MRNDRGSQZDBTCN-UHFFFAOYSA-N	302.334	1.377	50	20	DDGD	
Nc1cnnc(NNC(=O)NC[C@@H]2CCSC2)c1Cl	1322336648	CCAQLEXFCCHHPX-LURJTMIESA-N	302.791	1.091	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)N[C@H]1CCN(C2CC2)C1	1322883676	ZQEKJVKYWMRNKP-JTQLQIEISA-N	322.796	1.521	50	20	DDGD	
Cn1ccc(NNC(=O)CCN2C(=O)CCc3ccccc32)n1	1325744672	BGVFPAPEKPSXPQ-UHFFFAOYSA-N	313.361	1.233	50	20	DDGD	
Cn1cncc1C(=O)NNC(=O)c1ccc(Br)cc1	1327346814	OEHPZXRXYCTLOH-UHFFFAOYSA-N	323.150	1.257	50	20	DDGD	
Nc1cnnc(NNC(=O)C(F)(F)c2nccs2)c1Cl	1320879572	XNOKWNSIUWYQQB-UHFFFAOYSA-N	320.712	1.404	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2c[nH]c3cnccc23)cc1	1324415363	NJHKVTYALUNXCA-UHFFFAOYSA-N	324.340	1.575	50	20	DDGD	
CSCCCNC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	1328931671	XALKDTNOYLYZMG-KWQFWETISA-N	323.256	1.145	50	20	DDGD	
Cc1coc(C(=O)NNC(=O)COc2ccc(F)cc2)c1C	1322037621	YABCEDWLBWMCIC-UHFFFAOYSA-N	306.293	1.876	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)CCc1ccc2c(c1)CCO2	1331908227	WZCJZTGQKVTRNU-UHFFFAOYSA-N	313.357	1.354	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NCCO[C@H]2CCOC2)nn1	1332913076	ORGIZLMRKOVKFD-NSHDSACASA-N	323.397	1.206	50	20	DDGD	
Cn1cncc1CNC(=O)NNC(=O)c1ccccc1Cl	1336660325	JHEOILAWCLFHFH-UHFFFAOYSA-N	307.741	1.218	50	20	DDGD	
COc1cccc(NNC(=O)c2ncoc2[C@H]2CCCO2)n1	1342028888	JACWXPKALJBHSI-SECBINFHSA-N	304.306	1.687	50	20	DDGD	
CC(C)[C@H](CO)NC(=O)NNC(=O)CCCc1ccccc1	1343214833	YUIKJAZXNSUBAI-AWEZNQCLSA-N	307.394	1.357	50	20	DDGD	
Cn1ccnc1CCC(=O)NNCC(F)(F)C(F)(F)F	1348908916	MVAPNUKHUZABAD-UHFFFAOYSA-N	300.231	1.171	50	20	DDGD	
CC(C)C(=O)NNC(=O)N[C@H](C)c1cc(F)ccc1N(C)C	1263317224	RKAZWMOEDUEMDW-SNVBAGLBSA-N	310.373	1.939	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2nc(-c3ccccc3)no2)CCN1	1340033921	PKOZYMVBIMEUES-ZYHUDNBSSA-N	301.350	1.568	50	20	DDGD	
Cc1c(Cl)cccc1NNC(=O)Cn1cc(C(=O)O)cn1	1607531753	VWJJLNVLZUWIBK-UHFFFAOYSA-N	308.725	1.686	50	20	DDGD	
Cc1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)nc1C	1605821456	PTYZRJDMOOQCBB-UHFFFAOYSA-N	309.333	1.635	50	20	DDGD	
CN1CCC(NC(=O)NNc2ccc(CC(=O)O)cc2)CC1	1606217028	YWJZKVKHIASJCR-UHFFFAOYSA-N	306.366	1.034	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2noc3c2COCC3)c1	1602450259	QXPYCIDFHDDZLU-UHFFFAOYSA-N	303.274	1.202	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)[C@H]1CCCC[C@H]1C(=O)O	1608484479	VHJSEEYTSQZPNN-NWDGAFQWSA-N	313.357	1.991	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNc1ccc(C)c(C(=O)O)c1	1605505297	HWQPNJGUNRMAEI-UHFFFAOYSA-N	308.334	1.726	50	20	DDGD	
NC(=O)c1cnc(NC(=O)NNc2cccc(C(=O)O)c2)s1	1601170075	PDUBLSXMBINZCN-UHFFFAOYSA-N	321.318	1.089	50	20	DDGD	
O=C(NNC(=O)[C@]1(C(=O)O)C[C@@H]1c1ccccc1)c1ccccc1	1608476865	AMTVCBGYQCXAFF-KDOFPFPSSA-N	324.336	1.706	50	20	DDGD	
Cc1c(NNC(=O)N[C@H]2CCn3ccnc32)cccc1C(=O)O	1600051588	UFFFGCMRUAHMMO-LBPRGKRZSA-N	315.333	1.661	50	20	DDGD	
CCCC1(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)CCC1	1604151844	ZDKAAIJSAJYOEE-UHFFFAOYSA-N	301.354	1.675	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2ccc(C(=O)O)cc2F)n1	1610518712	RBFVUIHSEIZDIH-UHFFFAOYSA-N	317.276	1.302	50	20	DDGD	
CO[C@H](C=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccnn1C)C1CC1	1549314072	HHGNZQCAUQCFAL-YUELXQCFSA-N	320.393	1.415	50	20	DDGD	
Cc1ccc(OCC(=O)NN=Cc2cccn2CC(=O)O)cc1	1611186113	GNJWAWLVCHIOAR-UHFFFAOYSA-N	315.329	1.410	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CC23CCSCC3)nc1	1610835561	NXOALYDRDGMYEG-JTQLQIEISA-N	307.375	1.756	50	20	DDGD	
CCOC1CC(=NNC(=O)[C@H]2CCCO[C@H]2c2ccnn2C)C1	1549315309	MKBBVGKADUDYFI-RGPPAHDHSA-N	320.393	1.559	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1cc(N)ccc1F	1549320198	KYRVDGPZOGWWNK-SWLSCSKDSA-N	320.368	1.111	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CCCCCN)cc1F	1579228460	KEIOYNUEUUOSJV-UHFFFAOYSA-N	312.345	1.506	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H]2CC[C@H]3CCN[C@H]2C3)c1	1579832738	UOZPWFAJNRXFQC-SRVKXCTJSA-N	322.434	1.531	50	20	DDGD	
Cc1cc(NC(=O)NNc2ccccn2)cc(-c2nn[nH]n2)c1	1580983451	JRFZWGWLDICVND-UHFFFAOYSA-N	310.321	1.719	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)[C@]12CNC[C@@H]1C2	1580574419	QESBSIWQAUUULH-KBXCAEBGSA-N	309.369	1.139	50	20	DDGD	
C[C@@H](C(=O)O)n1cccc1C=NNC(=O)N=c1cc[nH]cc1	1589540051	OTCJDGIOVMOCTC-JTQLQIEISA-N	301.306	1.106	50	20	DDGD	
NCCOc1ccc(NC(=O)NNC(=O)[C@H]2CCCS2)cc1	1580313338	CQPRYYKPMFXGMA-GFCCVEGCSA-N	324.406	1.072	50	20	DDGD	
O=C(C1CC1)N1CC2(CCCN2C(=O)[C@@H](F)Br)C1	1845220523	XMXZAWSTRQYFIH-SECBINFHSA-N	319.174	1.290	50	20	DDGD	
COc1cccc(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)n1	1591634346	BDFMZORLZCZDKF-UHFFFAOYSA-N	323.316	1.034	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)C2CC(=O)C2)C1	1846991726	SAPXASGSALRRDV-GFCCVEGCSA-N	312.797	1.186	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NN=Cc1cc(C(=O)O)no1	1593652342	ZUOIQHCJXLFUQC-QMMMGPOBSA-N	321.264	1.430	50	20	DDGD	
CCCCNC(=O)NN=Cc1c(F)cc(-c2nn[nH]n2)cc1F	1590604561	MLCJNNCCVIKLSX-UHFFFAOYSA-N	323.307	1.578	50	20	DDGD	
C[C@@H](CC(=O)O)C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	1592359349	CIFRNMVWHYCBHR-LURJTMIESA-N	301.686	1.802	50	20	DDGD	
COC[C@]1(C(=O)O)CCN(C(=O)C2CCC(Cl)CC2)C1	1593959791	FSBSYGWTKLHEMP-MGULZYLOSA-N	303.786	1.734	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1cccc(C(=O)O)c1	1594710927	FLRWQRNRFZBGHA-UHFFFAOYSA-N	314.301	1.175	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1c[nH]c2c(C(=O)O)cccc12	1776082473	SZUQRQNNRYXXNE-ONGXEEELSA-N	315.329	1.741	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1[N+](=O)[O-]	1776946162	NAOYAXAHFWYPDL-BJMVGYQFSA-N	310.287	1.592	50	20	DDGD	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)Nc1ccccc1	5603967	HBXMWIPJEWBWOF-CQSZACIVSA-N	313.313	1.679	50	20	DDGD	
CCCCNC(=S)NNC(=O)c1cnn(-c2ccccc2)c1	14840356	ONRFYOKSHNYKPT-UHFFFAOYSA-N	317.418	1.781	50	20	DDGD	
CCc1ccccc1NC(=S)NNC(=O)Cc1cc(C)n[nH]1	17514321	ASVFACOIQCZQAF-UHFFFAOYSA-N	317.418	1.841	50	20	DDGD	
COc1ccc(NNC(=O)CCCNC(=O)C(C)(C)C)nc1	159214742	SVKMNTCEJCCZHX-UHFFFAOYSA-N	308.382	1.476	50	20	DDGD	
CN(C)C(=O)NN=CC(C)(C)N1C(=O)c2ccccc2C1=O	782215338	QMCHUHSOBMLIJE-UHFFFAOYSA-N	302.334	1.318	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(CSC)cc1	65207882	CXMOCOBPVHTYPH-UHFFFAOYSA-N	311.407	1.530	50	20	DDGD	
CCOc1ccc(SCC(=O)NNC(=O)c2ccc[nH]2)cc1	6991646	QOFATUOFADOYIM-UHFFFAOYSA-N	319.386	1.967	50	20	DDGD	
CCc1cc(NNC(=O)[C@@H](C)OC)nc(-c2ccccn2)n1	115155951	WSHDAVKOIKMVAU-SNVBAGLBSA-N	301.350	1.579	50	20	DDGD	
N#Cc1ccc(CCC(=O)NNC(=O)c2cccc(C#N)c2)cc1	103402634	WTQZBZUUUZZPAI-UHFFFAOYSA-N	318.336	1.824	50	20	DDGD	
O=C(CN1CCCCCC1=O)NNC(=O)c1cccc(Cl)c1	58114025	QKTVIYMQJWSEME-UHFFFAOYSA-N	323.780	1.504	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NOCc2ccccc2)cc1	102451532	IFVXNUHUAFXLRW-UHFFFAOYSA-N	310.313	1.634	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)C[C@H](C)O)c1C	176539545	RZNOJNGIRBLYRK-WFSQQTBHSA-N	319.405	1.498	50	20	DDGD	
O=C(CS(=O)(=O)C1CCCC1)NNc1ncccc1Cl	114884158	YFULBWWEDOMZDC-UHFFFAOYSA-N	317.798	1.536	50	20	DDGD	
O=C(NNc1cnccn1)c1cc(Cl)nc(N2CCCC2)c1	114881214	IAMWIOFWTXBNEI-UHFFFAOYSA-N	318.768	1.882	50	20	DDGD	
CC(C)NC(=O)NNC(=O)c1csc(Br)c1	63269208	YOLVDLSUSGAUSV-UHFFFAOYSA-N	306.185	1.863	50	20	DDGD	
CC(C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)=C1CCCC1	176499970	BKDSJDOEBWEYRR-HNNXBMFYSA-N	316.357	1.864	50	20	DDGD	
CCCCOCC(=O)NNC(=O)Cc1nc2ccccc2n1C	118304077	XRNMOHNGIBXXPK-UHFFFAOYSA-N	318.377	1.080	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2ccc(C(N)=S)cc2)cc1	61650849	WSSGUDGPKZQGTC-UHFFFAOYSA-N	324.365	1.267	50	20	DDGD	
O=C(C[C@@H]1CCc2ccccc21)NNC(=O)NCC(F)(F)F	115729178	KCTKVMXDWLUWHT-JTQLQIEISA-N	315.295	1.999	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)c2cc(F)ccc2F)cc1	61473906	WLIQUENSSAIBBR-UHFFFAOYSA-N	301.252	1.911	50	20	DDGD	
CC1(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CCCCC1	122297070	NSWDTLKXJXZPRJ-CQSZACIVSA-N	318.373	1.944	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cc(-c2ccc(F)cc2)[nH]n1	122667894	PTCLGNJXMCTCMV-UHFFFAOYSA-N	316.271	1.902	50	20	DDGD	
C=CCCC[C@@H](C)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	181099938	RAWVNWFVGLDGRX-YPMHNXCESA-N	303.428	1.112	50	20	DDGD	
CCO[C@@H]1C[C@](N)(C(=O)NNc2ccccc2[N+](=O)[O-])C1(C)C	187192096	MOCGDTKKGDGMBH-DOMZBBRYSA-N	322.365	1.570	50	20	DDGD	
C[S@](=O)Cc1ccccc1NC(=O)NNc1ncccn1	128302317	RVTAFMIXNOTZSA-OAQYLSRUSA-N	305.363	1.504	50	20	DDGD	
CC(C)(C)OCC(=O)NNC(=O)c1cccc2ncccc12	181702657	QPXPZVYDMZHOAL-UHFFFAOYSA-N	301.346	1.811	50	20	DDGD	
COCCCOCC(=O)NNc1nc(-c2ccccc2)no1	180620429	MFADJRHPIQOJEB-UHFFFAOYSA-N	306.322	1.233	50	20	DDGD	
Cc1nc(-c2cccc(NC(=O)NNC(=O)CO)c2)oc1C	184576523	AEHLUKDEZABLNA-UHFFFAOYSA-N	304.306	1.103	50	20	DDGD	
CN(C)C(=O)c1cc(NC(=O)NNc2ccccn2)ccn1	180695418	BBZJCKMKUPHTBD-UHFFFAOYSA-N	300.322	1.327	50	20	DDGD	
O=C(NCc1ccnc(N2CCCC2)c1)NNc1ncccn1	45491014	LDUGZIJBZNMRIJ-UHFFFAOYSA-N	313.365	1.298	50	20	DDGD	
Cc1nccc(C(=O)NNC(=O)c2cc(Cl)ccc2O)n1	77323999	OXYOZSRMHJJGAF-UHFFFAOYSA-N	306.709	1.219	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H](O)c1ccccc1	72825329	GQCVROCBIBGDAG-HNNXBMFYSA-N	324.340	1.137	50	20	DDGD	
Cn1nccc1NC(=O)C(=O)NNc1ccc(Cl)c(F)c1	131108996	OTPBAESXGLQDMF-UHFFFAOYSA-N	311.704	1.294	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNC(=O)c1cccc(Cl)c1	194134906	NNVGOITWJUZMJY-JTQLQIEISA-N	314.769	1.543	50	20	DDGD	
CN(C)CCN1C[C@@H](C(=O)NNc2cccc(Cl)c2)CC1=O	81244806	NVXLRAMXDAKYNW-NSHDSACASA-N	324.812	1.193	50	20	DDGD	
CC(=O)Nc1cc(C(=O)NNC(=O)c2cccnc2)ccc1C	46810492	TVPCACYDWVGTRK-UHFFFAOYSA-N	312.329	1.423	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1	195220832	YFPRFFXKHDGXKE-ZDUSSCGKSA-N	321.421	1.505	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C1CCC(O)CC1	194018372	YPDAMWOFJNGBQV-VOMCLLRMSA-N	324.352	1.292	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cn(C)nc1-c1ccncc1	194571990	WFSNOYGGUAARNH-UKTHLTGXSA-N	311.345	1.152	50	20	DDGD	
COCCCCNC(=O)NNC(=O)c1ccc(Cl)cc1F	83181131	PRGXHUUPIGCPGF-UHFFFAOYSA-N	317.748	1.850	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1ccc(F)cc1F	49124711	PHDLSQIYLKFFGP-UHFFFAOYSA-N	307.322	1.257	50	20	DDGD	
Cc1cc(NNC(=O)c2n[nH]nc2C)ccc1Br	194389127	IGOUNBXDKDYRBR-UHFFFAOYSA-N	310.155	1.941	50	20	DDGD	
CCc1nn(C)c(CC)c1CC(=O)NNc1cc(C)ncn1	192335702	GRWBHRILTMFPOV-UHFFFAOYSA-N	302.382	1.329	50	20	DDGD	
NS(=O)(=O)c1ccc(NC(=O)NNc2ccccc2F)cc1	194476269	PDRUIXBPXUGAME-UHFFFAOYSA-N	324.337	1.622	50	20	DDGD	
CN(NC(=O)NCC1(N(C)C)CCOCC1)c1ccccc1	265607508	NBYRMKLYLRUJHA-UHFFFAOYSA-N	306.410	1.448	50	20	DDGD	
CCCc1nnc(S)n1CC(=O)NNc1cc(C)nc(C)n1	265530097	LCLXNYALTOOZQV-UHFFFAOYSA-N	321.410	1.069	50	20	DDGD	
C=C[C@@](C)(CC)C(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C	275947467	FXINHAKNSBNBBV-BONVTDFDSA-N	313.398	1.649	50	20	DDGD	
CCO[C@@H](C)C(=O)NNC(=O)CSc1ccccc1OC	270633275	HGCRPMFKGDPRCT-JTQLQIEISA-N	312.391	1.360	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@H]1CCO[C@@H](C2CC2)C1	274146332	DDMYONRLCMSUFX-SMDDNHRTSA-N	321.352	1.727	50	20	DDGD	
COC(=O)CSCCC(=O)NNc1ccc2ccccc2n1	271989456	PTJXKFSBJIOJDM-UHFFFAOYSA-N	319.386	1.974	50	20	DDGD	
C[C@@H]1CN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CC[S@](=O)C1	277563298	NLNQEBZZUKOURJ-OGWBIFASSA-N	320.389	1.960	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1sccc1C	276565622	MKIOOTJBMTYUAT-UHFFFAOYSA-N	300.380	1.607	50	20	DDGD	
CC(=O)NNC(=O)[C@]1(C)CCN(C(=O)OCc2ccccc2)C1	279688425	QOHRRJRBMCXJKF-MRXNPFEDSA-N	319.361	1.203	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2c(C)cccc2F)[C@H]1OC	275305387	QVQCEDMILKKWAO-YRGRVCCFSA-N	311.357	1.953	50	20	DDGD	
O=C(NNC(=O)c1csc([C@H]2CCCO2)n1)NC1CCCC1	270022624	FPIIHWJLWJXUPQ-LLVKDONJSA-N	324.406	1.881	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1cc2n(n1)CCO2	378032053	YLCBRAAHJPVPPX-UHFFFAOYSA-N	307.241	1.080	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NC1CCC1	278099992	JJZBHOZZUHFJLH-VIFPVBQESA-N	311.769	1.990	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2c[nH]c3ccccc23)CCO1	271246716	IKSLCKXKRKWYOO-MNOVXSKESA-N	316.361	1.679	50	20	DDGD	
Cc1nc2n(n1)CCN(C(=O)[C@@H](Br)C(C)(C)C)C2	274614906	OHEAMRIDWQMJCY-SNVBAGLBSA-N	315.215	1.738	50	20	DDGD	
CN1C[C@H](C(=O)NNc2ccc(C#N)cc2)c2ccccc2C1=O	373274919	OKRYKIYKZYIAMP-INIZCTEOSA-N	320.352	1.871	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H]2CCc3nccn3C2)c1	372731033	ZICAUXGMCMDLIB-JTQLQIEISA-N	304.325	1.737	50	20	DDGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCN2C(=O)OC[C@@H]2C1	370549859	RDGAEGXXGHMRKE-FGFBTAOXSA-N	314.301	1.596	50	20	DDGD	
Cn1cc(-c2ccccc2CNC(=O)NNc2cccnn2)cn1	372292276	ZIRYZFQXSDAUBG-UHFFFAOYSA-N	323.360	1.703	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cc(C3CC3)no2)cc1	281851845	OTYHTECLDRHHFE-UHFFFAOYSA-N	315.329	1.700	50	20	DDGD	
CCOC1(C(=O)NNC(=O)c2ccc(C)cc2O)CCCC1	287435953	GXDIXZKUGXRFOA-UHFFFAOYSA-N	306.362	1.811	50	20	DDGD	
Cc1noc(CCCC(=O)NNc2nccnc2C2CCC2)n1	287327735	XRJRZBCPJREACZ-UHFFFAOYSA-N	316.365	1.902	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)[C@@H]1O[C@H](C)C[C@@H]1C	282773465	VDBXTKXMCDCOBJ-HWWQOWPSSA-N	320.389	1.589	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@H]1CCc2nccn2C1	377164944	KOQGDCBNAXYJNT-LBPRGKRZSA-N	323.356	1.430	50	20	DDGD	
C[C@H](CCNS(=O)(=O)CCl)N(C)C(=O)OC(C)(C)C	1347838512	LLXRFFMKILEWRQ-SECBINFHSA-N	314.835	1.748	50	20	DDGD	
O=C(NC[C@@H]1CCSC1)NNc1ccc(-n2ccnc2)nn1	288626815	JXFBSWXHPJKSEQ-JTQLQIEISA-N	319.394	1.042	50	20	DDGD	
C[S@](=O)C1(CNC(=O)NNc2cccc(F)n2)CCC1	287288219	UKSUEIWGGJIXEB-FQEVSTJZSA-N	300.359	1.148	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H]1CCN(CC(F)(F)F)C1	281075555	AITVVOKSRZBOOS-SNVBAGLBSA-N	302.300	1.717	50	20	DDGD	
Cc1nn(C)c(/C=C(\C#N)C(=O)NC(C)C)c1Br	280649810	NNOUCKVWLYFNEI-WEVVVXLNSA-N	311.183	1.923	50	20	DDGD	
O=C(NNc1c(F)cccc1Cl)[C@@H]1OC[C@@H]2COCC[C@@H]21	291330891	QIACJYHGMVWAAG-MWODSPESSA-N	314.744	1.974	50	20	DDGD	
COc1ccc(NCC(=O)NN=Cc2cn(C(C)C)nn2)cc1	807946195	OKAUTXNDCBYMSA-UHFFFAOYSA-N	316.365	1.430	50	20	DDGD	
C[C@@H](C(=O)NNc1ncccc1[N+](=O)[O-])N(C)CC(F)(F)F	807060943	IOQDGJAZGNFWAI-ZETCQYMHSA-N	321.259	1.316	50	20	DDGD	
COc1cccc(C2(C(=O)NNc3ncnc4[nH]cnc34)CC2)c1	806893103	PJFWWYOCAYOSHO-UHFFFAOYSA-N	324.344	1.536	50	20	DDGD	
O=C(Cc1ccc(F)cn1)NNc1ncnc2ccsc12	807093324	LGPQPQOIFONNAO-UHFFFAOYSA-N	303.322	1.911	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1CCc2nnn(C)c2C1	291514466	IOQNQGXWOVBAOZ-CYBMUJFWSA-N	313.405	1.934	50	20	DDGD	
O=C(CCc1ccc(F)cc1F)NNC(=O)[C@H]1CCCCO1	295338158	HTTXGZXPIZPTKA-CYBMUJFWSA-N	312.316	1.614	50	20	DDGD	
C[C@H]1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)[C@@H](C)C1	298551551	OEMZLFQWNACRSY-RYUDHWBXSA-N	307.369	1.707	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)c1ccnc2ccncc12	806892006	AXFNQHOESXSXAQ-UHFFFAOYSA-N	306.289	1.053	50	20	DDGD	
COc1cccc(C(=O)CCCC(=O)NNc2ccncn2)c1	295591430	XGORAAJBWRMCHG-UHFFFAOYSA-N	314.345	1.982	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)C2(C)CCCC2)cc1	809127048	IGMKLSQGJWXTEQ-UHFFFAOYSA-N	318.373	1.880	50	20	DDGD	
CC(C)(C)C(=O)CCCC(=O)NNC(=O)NCc1ccco1	294850924	ZHILOWUETNQVTE-UHFFFAOYSA-N	309.366	1.896	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1[N+](=O)[O-]	294101203	DMRICJUOVFKSBW-ONGXEEELSA-N	307.306	1.232	50	20	DDGD	
C#Cc1cncc(C(=O)NNc2ccc(Br)nc2)c1	806847540	RRUZCFISIDYSBZ-UHFFFAOYSA-N	317.146	1.977	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)c1cccc2ncccc12	294778127	ZQAIMRWXLPGMIP-AWEZNQCLSA-N	301.346	1.811	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc3ccccc3c(=O)o2)O1	293897236	LAADXUIPGUTXLV-CABZTGNLSA-N	316.313	1.122	50	20	DDGD	
Cc1ccc(C)c(OCCC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1	294185213	JXVUMUOESGHZFV-KBPBESRZSA-N	320.389	1.787	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	802005105	VLFNPOHDDAMZAQ-ZETCQYMHSA-N	314.292	1.032	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)CCc2ccccc2)n1C	814825571	FDTDOPQWDRWHNO-UHFFFAOYSA-N	313.357	1.895	50	20	DDGD	
COc1ccc(OC)c(C(C)=NNC(=O)c2cnccn2)c1	818284041	BZRFCCDRUYDHIV-UHFFFAOYSA-N	300.318	1.648	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NC[Si](C)(C)c1ccccc1	812214356	RTMLCGWKOMXBKR-UHFFFAOYSA-N	323.469	1.880	50	20	DDGD	
Cn1c(NNC(=O)CN2CCSC2=O)nc2ccccc21	816579077	CNHYHQOOZHBTOJ-UHFFFAOYSA-N	305.363	1.185	50	20	DDGD	
Cc1ccccc1-n1cc(C=NNC(=O)N=c2cc[nH]cc2)nn1	815000362	JWFNJSCAVVNOHG-UHFFFAOYSA-N	321.344	1.548	50	20	DDGD	
COc1ncc(C=NNC(=O)c2ccc3c(c2)OCO3)s1	812221679	GCWRBFAWVHSOBF-UHFFFAOYSA-N	305.315	1.644	50	20	DDGD	
COc1ccc(-n2nnc(C(=O)NN(C)C3CC3)c2C)cc1	819645372	HXUCMKYIBQINGB-UHFFFAOYSA-N	301.350	1.323	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)c1cc2c(s1)CCC2	812452299	DRTOYAQZVHRTOY-UWVGGRQHSA-N	310.419	1.916	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1cc(F)ccc1O	814950870	ATFCRFRYHUCOQZ-UHFFFAOYSA-N	304.277	1.766	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1ncc(C#N)cc1C	815952569	OVCLGUJHSOEMPW-UHFFFAOYSA-N	310.313	1.805	50	20	DDGD	
COc1ccc(NNC(=O)C2(c3ccccc3)CC(=O)C2)nc1	811320193	JNLJKVJSQPVLOA-UHFFFAOYSA-N	311.341	1.834	50	20	DDGD	
CCc1ccc(C(C)=NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1	728436652	HVIYZGUKZMGLMM-LLVKDONJSA-N	311.407	1.027	50	20	DDGD	
CC(=NNC(=O)C1CCN(c2ncccn2)CC1)c1ccncc1	728783968	PTRRYWKHQDHZMD-UHFFFAOYSA-N	324.388	1.628	50	20	DDGD	
CC(C)[C@H]1C[C@@H](C(=O)NNC(=S)Nc2ccccn2)CCO1	829003400	OCJOJRFWQSTBAZ-NWDGAFQWSA-N	322.434	1.850	50	20	DDGD	
O=C(CCc1ccon1)NNC(=O)NCCc1cccs1	823810409	LBABKCJYTBGTRW-UHFFFAOYSA-N	308.363	1.242	50	20	DDGD	
CC(C)[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@H]1C)C(F)(F)F	826593033	PHXWISRQANGWFR-CIUDSAMLSA-N	311.304	1.329	50	20	DDGD	
C[C@@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	824898173	DPZHWKBFFCZJRB-BXKDBHETSA-N	314.349	1.064	50	20	DDGD	
C[S@@](=O)C1(CNC(=O)/C(C#N)=C/c2ccc(F)cc2)CC1	491050403	PQZASPMPXBTEIN-NBILRRPASA-N	306.362	1.760	50	20	DDGD	
C[C@@H](NNC(=O)C[C@H]1C(=O)Nc2c(F)cccc21)C(F)(F)F	826941934	LGDUEHAWIKAXMR-HTRCEHHLSA-N	319.258	1.823	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(N2CCCC2=O)c(F)c1	494362552	IAZAENRWAMUIQK-UHFFFAOYSA-N	324.312	1.735	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)C2(C)CCOCC2)cc1	728204268	BDFFSJZPEINJHY-UHFFFAOYSA-N	305.378	1.371	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N(CCO)Cc1cccnc1Cl	490662518	BJXFDHZIYZAXGT-BENRWUELSA-N	309.753	1.500	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc(F)c(Cl)c1	823473230	AZZZDAIKOMUJQT-HTRCEHHLSA-N	301.705	1.060	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)/C=C/C1CCCC1	493465160	YPSAAFLHZNAZMZ-ZHACJKMWSA-N	318.373	1.968	50	20	DDGD	
COCc1cccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1	826164815	RONPMTBNXYUCTO-UHFFFAOYSA-N	324.344	1.770	50	20	DDGD	
Cc1ccccc1[C@H]1C[C@H](NCc2ccc(B(O)O)cc2F)C1	585038728	DXDCEKFYOKBDMN-KOMQPUFPSA-N	313.181	1.850	50	20	DDGD	
CC(=O)NCCCCCC(=O)NNC(=O)c1cccc(C#N)c1	728826921	FFAFJWZQXSNASJ-UHFFFAOYSA-N	316.361	1.016	50	20	DDGD	
CCn1cc(NC(=S)NNC(=O)Cc2nc(C)cs2)cn1	726122231	LCNAIPRXLRGNOE-UHFFFAOYSA-N	324.435	1.228	50	20	DDGD	
C[C@H]1Oc2cc(F)ccc2[C@@H]1NCc1ccc(B(O)O)cc1F	585040900	RIGTTWQMZWXNMN-JDNHERCYSA-N	319.116	1.256	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)ncn1	496094954	SGLOOTDEWSCGDO-QWRGUYRKSA-N	323.397	1.777	50	20	DDGD	
COCCN(C)NC(=O)c1ccc2c(c1)N[C@H](C)CC(=O)N2	908115710	SQMRGYLULIWEKH-SNVBAGLBSA-N	306.366	1.052	50	20	DDGD	
CC1(C)CCN(C(=O)c2ccc(B(O)O)cc2)c2ccccc21	584991777	HADHFLWYWIYUOD-UHFFFAOYSA-N	309.174	1.695	50	20	DDGD	
CC[C@](C)(CC(=O)OC)NC(=O)/C(C#N)=C\c1cnn(C)c1	826844006	XESNQINNICTEHD-NYXMJBRJSA-N	304.350	1.175	50	20	DDGD	
CSCc1c(C(=O)NNC(=O)CN(C)C)oc2ccccc12	733360860	GPCCZASXCMVODK-UHFFFAOYSA-N	321.402	1.618	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C[C@H]1CC(=O)Nc2ccccc21	820757321	FRZMIRPDGCTLNH-LLVKDONJSA-N	301.346	1.450	50	20	DDGD	
COC(=O)N(C)NC(=O)Cc1ccc(NC(=O)C2CC2)cc1	496079199	BKXLMEUALLLWAL-UHFFFAOYSA-N	305.334	1.307	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccc[nH]1)N(C)C(=O)OC(C)(C)C	496652176	VLCFVHTWWGVNFZ-VIFPVBQESA-N	310.354	1.031	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1	730537573	WVKBOWFNYXFHDF-UONOGXRCSA-N	304.394	1.597	50	20	DDGD	
CO[C@@H](CNC(=O)NNc1cccc(C#N)c1)C(F)(F)F	733661664	WKMRFYNYISCDBI-JTQLQIEISA-N	302.256	1.762	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N[C@](C)(CO)c1ccccc1	732202313	MJBBMPPIWNVOIP-SUMWQHHRSA-N	321.421	1.066	50	20	DDGD	
OB(O)c1ccc(OCc2csc([C@@H]3CCCO3)n2)cc1	584911243	ZTVIFDLQXVKEBS-ZDUSSCGKSA-N	305.164	1.253	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cccc2c1OCCO2	831342219	ZCDNBXGPBPRILM-UWVGGRQHSA-N	321.333	1.036	50	20	DDGD	
C[C@H](CCOCc1ccccc1)NCc1ccc(B(O)O)o1	585040953	KVTQXQZRUUDLBW-CYBMUJFWSA-N	303.167	1.044	50	20	DDGD	
CCOc1ncc(C)cc1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	831840667	PSGVXDFWMJMWKY-WDEREUQCSA-N	322.365	1.366	50	20	DDGD	
C[C@]1(C(=O)N2CCC3(CC2)OCCCO3)C[C@H]1Br	908432846	JSRJDGMEPHCKJL-PWSUYJOCSA-N	318.211	1.916	50	20	DDGD	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)c1nnnn1C1CC1	588609757	SEFDMXHFDQTXDJ-ZDIKFAODSA-N	324.344	1.498	50	20	DDGD	
CC[C@@H]1c2ccccc2CCN1C(=O)c1ccc(B(O)O)cc1	584947354	MSNGQFBKGXQMNS-QGZVFWFLSA-N	309.174	1.516	50	20	DDGD	
C[C@@H](CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1)C(C)(C)C	734673307	FLGALRMQOHPBIT-GXFFZTMASA-N	305.444	1.050	50	20	DDGD	
CO[C@H](c1ccccc1F)[C@@H](C)NCc1ccc(B(O)O)cc1	585032953	RXNSKPWRDFXEGH-PXAZEXFGSA-N	317.169	1.371	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCCC[C@@H]1Cc1ccccc1	584936012	CAQMSDIYXUYYFF-GOSISDBHSA-N	323.201	1.604	50	20	DDGD	
CC(C)CN1C[C@H](C(=O)NNc2ccc(F)cc2F)CC1=O	733364355	HMWLLBMRALPUFB-SNVBAGLBSA-N	311.332	1.912	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H]2CCO[C@H]2CC)cc1	838777408	XPDVHRKVYSAKHQ-KGLIPLIRSA-N	305.378	1.761	50	20	DDGD	
CC1(C)CCC[C@@H](CNC(=O)c2cc(B(O)O)ccc2F)C1	585001597	YDMRPELWVVCFEH-LLVKDONJSA-N	307.174	1.452	50	20	DDGD	
OB(O)[C@@H]1CCN(Cc2csc(-c3ccc(F)cc3)n2)C1	585077269	SVGADTZJNGZXBN-LLVKDONJSA-N	306.171	1.998	50	20	DDGD	
C[C@H](NCc1cccc(B(O)O)c1)[C@H](C)Oc1ccccc1F	585029732	SODQPVOCWKKHQF-STQMWFEESA-N	317.169	1.451	50	20	DDGD	
CN([C@]1(CO)CCOC1)S(=O)(=O)c1ccc(CCl)cc1	916058131	VWUKLPTXZUCWCA-ZDUSSCGKSA-N	319.810	1.197	50	20	DDGD	
Cn1c(=NNC(=O)c2ccc(CO)cc2)sc2ccccc21	916593525	PBWDBABEHFQYSA-UHFFFAOYSA-N	313.382	1.978	50	20	DDGD	
CC(C)C[C@@H](CN1CCCC1)NC(=O)NNC(=O)C1CCC1	836537112	MAQYVPILPPLTKA-AWEZNQCLSA-N	310.442	1.627	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C1CCN(OC)CC1	834920410	KMJCPHBIOCRRNS-UHFFFAOYSA-N	306.366	1.237	50	20	DDGD	
COCCCOCC(=O)NNc1ccc(F)c(C(=O)OC)c1	837036458	NTWFVWVCUIORNH-UHFFFAOYSA-N	314.313	1.109	50	20	DDGD	
C=CCOc1ccc(C(=O)NNc2ccnc(N(C)C)n2)cc1	740114122	PSDDPCCZWMWVMN-UHFFFAOYSA-N	313.361	1.864	50	20	DDGD	
Cc1ccc([C@H](C)C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)o1	744354518	GMCPWPYXLMOLPL-NWDGAFQWSA-N	314.407	1.184	50	20	DDGD	
COc1ccc(C2(C(=O)NN(C)C[C@@H](C)O)CCOCC2)cc1	910167742	JWMIOWVSANHXDD-CYBMUJFWSA-N	322.405	1.087	50	20	DDGD	
CC(=NNC(=O)C1CC1)c1c(F)cccc1N1CCOCC1	741160150	LQDBMLBWSNNINY-UHFFFAOYSA-N	305.353	1.913	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ncoc1-c1ccccc1	843652955	VLDIHLGSOPEBHG-ZYHUDNBSSA-N	315.329	1.528	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)COc1ccc(C)c(C)c1)[C@@H](C)O	842223327	HGGZOEBHOKORNX-TZMCWYRMSA-N	308.378	1.237	50	20	DDGD	
CCCCNC(=O)NN=Cc1cccc(O[C@H](C)C(=O)O)c1	746680216	RNEATIYHWQXQIY-LLVKDONJSA-N	307.350	1.972	50	20	DDGD	
COc1ccc(NNC(=O)c2cc(O)nc(C3CC3)n2)nc1	847845625	WJEVCQKXQFELOS-UHFFFAOYSA-N	301.306	1.220	50	20	DDGD	
NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1cccc(Br)c1	847599967	XUZJZVAXIUXISD-ZJUUUORDSA-N	312.167	1.404	50	20	DDGD	
C[C@@H](N)CNC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	841988196	ZPNPLBPDZYRXCC-RKDXNWHRSA-N	310.423	1.164	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=Cc1cnc2cnccn12	746371627	YQWSOORWUHJHHW-UHFFFAOYSA-N	320.312	1.130	50	20	DDGD	
O=C(NNc1c(F)cccc1F)N[C@@H]1CC[C@@H]2CNC[C@@H]2C1	842015333	MVNQTYCBKHGXLB-OUAUKWLOSA-N	310.348	1.979	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(OC)c(S(C)(=O)=O)c1	840729038	LNPBUFYBYPDUOA-MDZDMXLPSA-N	324.358	1.481	50	20	DDGD	
NNC(=O)NCCc1ccc(I)s1	841781494	RBIZXRZMZDOJKQ-UHFFFAOYSA-N	311.148	1.068	50	20	DDGD	
CCCOc1c(Cl)cc(C=NNC(=O)C(N)=O)cc1OC	916541473	XACNQSCSRPNUFE-UHFFFAOYSA-N	313.741	1.073	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cnc([C@@H]2CCCO2)s1	842561017	IJBVZKYCJUKGEC-DLOVCJGASA-N	309.391	1.870	50	20	DDGD	
COC[C@@H](C)NC(=S)NNC(=O)Nc1cc(F)cc(F)c1	745036393	ZVZMOMREMRDWBD-SSDOTTSWSA-N	318.349	1.500	50	20	DDGD	
Cc1cn2c(C=NNC(=O)[C@H]3CCO[C@H]3C)c(C)nc2s1	842552890	CPIHZSXIPPCHKO-QWRGUYRKSA-N	306.391	1.888	50	20	DDGD	
CC(=NNC(=O)c1ccccn1)c1ccc([S@](C)=O)cc1	746366546	AOILEFJZMKINRV-NRFANRHFSA-N	301.371	1.973	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)Cn1nc(C)cc1C)[C@@H]1CC1(C)C	842188937	AABFDDGTLMJQFK-QWHCGFSZSA-N	321.425	1.655	50	20	DDGD	
Cc1cnn(CC(=O)NNc2ccc([N+](=O)[O-])cc2Cl)c1	748730481	ONDCWWHEABZIBF-UHFFFAOYSA-N	309.713	1.896	50	20	DDGD	
CC(C)(N)CNC(=O)NNC(=O)c1ccc(Cl)cc1F	841950328	RURKNFRPLCOWEQ-UHFFFAOYSA-N	302.737	1.160	50	20	DDGD	
Cc1nc2ccc(NC(=O)NNC(=O)CCCN)cc2s1	841009380	NVPUHDVRBPFYED-UHFFFAOYSA-N	307.379	1.496	50	20	DDGD	
Cc1c(NNC(=O)NC[C@]2(C)CCCNC2)cccc1[N+](=O)[O-]	841969921	GGTQAUHQRJFJGW-OAHLLOKOSA-N	321.381	1.919	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1(c2cccc(Cl)c2)CC1	843645533	RNKDDYMRMOHYAQ-MFKMUULPSA-N	322.792	1.944	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)N[C@H](c1ccccn1)C1CC1	925558682	VFPHORMHRJBKQZ-AWEZNQCLSA-N	323.360	1.902	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc(O)n1	843663840	YPQZJXDBCGQKRM-MWLCHTKSSA-N	307.350	1.097	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@]12CCC[C@@H]1C2	929301406	DOOYFBRGPWZISZ-LYOVBCGYSA-N	306.337	1.931	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2CCc3cncn3C2)cccc1[N+](=O)[O-]	844138082	QNAAMTKYRXNOEC-LLVKDONJSA-N	315.333	1.805	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCC(=O)C1	843753735	KGRRBXMISLCBDM-NXEZZACHSA-N	308.309	1.110	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1c(F)ccc(F)c1Cl	857295676	QVYCQEIYOIYSGG-RNFRBKRXSA-N	318.707	1.804	50	20	DDGD	
CC(C)N1CC(=NNC(=O)Cn2cnc3ccccc32)[C@@H](C)C1	754253801	GMFSQNLJZGKFIK-ZDUSSCGKSA-N	313.405	1.869	50	20	DDGD	
CN(Cc1cn(C)nn1)C(=O)[C@@H](Br)C(C)(C)C	855851195	JFFOVSSIXLOPQP-SECBINFHSA-N	303.204	1.583	50	20	DDGD	
C[C@@H]1CN(Cc2ccccc2)CC1=NNC(=O)c1cnccn1	751521480	PBAHLPJDZIYFRN-CYBMUJFWSA-N	309.373	1.714	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C1CC2(CC2)C1	856791709	BYIQHRUYMSLKEZ-UHFFFAOYSA-N	303.362	1.445	50	20	DDGD	
Cc1ccnc(NNC(=O)c2cn(C)nc2-c2ccncc2)c1	755844057	MZWLWQNMJCCNJF-UHFFFAOYSA-N	308.345	1.942	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNC(=O)c1cn[nH]c1)c1cccnc1	858272140	BKBOSYKVBWIWJM-ZDUSSCGKSA-N	316.365	1.189	50	20	DDGD	
C#C[C@@H](CC)NC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	854068994	OKQCQCRJIWNDTJ-PWSUYJOCSA-N	307.325	1.335	50	20	DDGD	
COc1cc(CCC(=O)NC[C@]2(C)C[C@H]2Br)on1	857389698	QCJBJURNVNCZBX-SKDRFNHKSA-N	317.183	1.906	50	20	DDGD	
C[C@H](c1ccco1)N(CC(=O)NNC(=O)C(C)(C)C)C1CC1	754870373	HHAAHOSCMVFVAK-LLVKDONJSA-N	307.394	1.999	50	20	DDGD	
Cc1ccc(NNC(=O)NCCOC[C@@H]2CCCO2)cc1F	853745421	XRLYWPVEOSBEED-ZDUSSCGKSA-N	311.357	1.956	50	20	DDGD	
C[C@]1(CNC(=O)N[C@@H]2CCCCNC2=O)C[C@H]1Br	856717891	HABRDWBXHOKKPX-KBVBSXBZSA-N	318.215	1.128	50	20	DDGD	
CC[C@H](NC(=O)NNc1ncc(Cl)cn1)C1CCOCC1	856872988	HBJPLBAUWUUAAS-NSHDSACASA-N	313.789	1.961	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)CCN2CCCCCC2)CN1C1CC1	753955727	PYJPJGLNBAGNKB-CQSZACIVSA-N	306.454	1.981	50	20	DDGD	
O=C(NNC(=S)NCCc1cccs1)C1(O)CCCC1	753079641	VRUIFPBVKDOCOJ-UHFFFAOYSA-N	313.448	1.091	50	20	DDGD	
O[C@H]1CCN(CCNCc2ccc(OCCCCl)cc2)C1	858340250	BRUDOVPIXNJOQE-HNNXBMFYSA-N	312.841	1.851	50	20	DDGD	
COc1ccccc1CC(=O)NN=C1C[C@@H](C)N(C2CC2)C1	753960749	VERGFUMJURMBGC-GFCCVEGCSA-N	301.390	1.967	50	20	DDGD	
CCc1cccc(OCC(=O)NNc2cc(Cl)nc(N)n2)c1	753453986	NMCGKEYIZCQPOR-UHFFFAOYSA-N	321.768	1.797	50	20	DDGD	
CC1CC(CNC(=O)NNC(=O)COc2ccccc2F)C1	856817087	AKHBLXFPIAZRLR-UHFFFAOYSA-N	309.341	1.581	50	20	DDGD	
O=C(NN=Cc1cccc2cccnc12)C(=O)Nc1ccccn1	758387308	IVFNNDASVHDIMB-UHFFFAOYSA-N	319.324	1.719	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)OCC(F)(F)F	856027059	XHROEOKFALIJIS-UHFFFAOYSA-N	310.203	1.524	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)OCC(F)(F)F)n1C	853430102	XVHCOPSMNQUJMS-UHFFFAOYSA-N	307.228	1.434	50	20	DDGD	
C[C@@]1(CNC(=O)COCc2cccnc2)C[C@@H]1Br	857388459	SOMCOURZMJBOMA-AAEUAGOBSA-N	313.195	1.888	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)n1	756186557	JFVPTRSANQHJJE-UHFFFAOYSA-N	304.262	1.461	50	20	DDGD	
C[C@@H]1COCCCN1C(=O)NC[C@@]1(C)C[C@H]1Br	856902907	LFVNGQMKMQHHNL-CKYFFXLPSA-N	305.216	1.980	50	20	DDGD	
O=C(CC[C@H]1CC1(Cl)Cl)NNC(=O)c1ccncc1	854118504	IRCJVWOZOQHBCB-VIFPVBQESA-N	302.161	1.817	50	20	DDGD	
CCC(=O)N[C@H](C)C(=O)NNc1nc(C(F)(F)F)cs1	755859622	GONHDUNUQKCWIU-RXMQYKEDSA-N	310.301	1.520	50	20	DDGD	
CCC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CCCCC1	750936126	MMTQVHOHENUWFC-GFCCVEGCSA-N	315.439	1.819	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1ccc(OC(C)C)cc1	763888541	OMXLVZRLENACTO-UHFFFAOYSA-N	321.377	1.606	50	20	DDGD	
C[C@H](NNC(=O)c1cc(Cl)nc(N(C)C)c1)C(F)(F)F	862314195	XSFCGXVTWDHXTI-LURJTMIESA-N	310.707	1.986	50	20	DDGD	
C[C@@](NC(=O)NNC(=O)[C@@H]1CCCCO1)(C1CC1)C(F)(F)F	933573837	VVHXLFKWXSCLJA-JOYOIKCWSA-N	323.315	1.617	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H](C)N(C)CC(F)(F)F)c1	862477982	WZRUXQMYWOZBET-MRVPVSSYSA-N	323.340	1.700	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc(OC(F)F)cc1F	932516623	KOHVEXXALDRVSA-UHFFFAOYSA-N	302.252	1.988	50	20	DDGD	
O=C1C[C@@H](C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])CCN1	760377753	IVHVDFAZDJTQTG-ZETCQYMHSA-N	312.713	1.218	50	20	DDGD	
CC(C)[C@@H]1C[C@H](C(=O)NNC(=O)NCC(F)(F)F)CCO1	935802835	PVLYNRHOASXCDZ-BDAKNGLRSA-N	311.304	1.330	50	20	DDGD	
O=C(Cn1ccnc1C1CC1)NNC(=O)c1ccccc1Cl	863386472	VAJZEHXIDNLKOR-UHFFFAOYSA-N	318.764	1.875	50	20	DDGD	
CC(C)(C)c1[nH]cnc1C(=O)NNC(=O)c1ccccc1F	864444684	HOECQECFHNGHOP-UHFFFAOYSA-N	304.325	1.921	50	20	DDGD	
COc1cc(NC(=O)NNc2nccnc2OC)cc(OC)c1	764596662	NRLIGRXPAOQPGO-UHFFFAOYSA-N	319.321	1.651	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1ccc2nc[nH]c2n1	863097679	RHBKQCCSXMFVCK-UHFFFAOYSA-N	309.198	1.390	50	20	DDGD	
COc1nc(N(C)C)sc1C=NNC(=O)c1ccccc1O	767032730	HWRCPZDWLABGHJ-UHFFFAOYSA-N	320.374	1.687	50	20	DDGD	
Cc1ccc([C@H](C)[C@H](O)C(=O)NNC(=O)c2ccccn2)cc1	764580466	DCPCXEYSGLLUBS-WFASDCNBSA-N	313.357	1.316	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1	863853168	AWDZCWQPUZKJMF-DVZHBHJUSA-N	319.405	1.614	50	20	DDGD	
CCOc1nc(C(F)(F)F)ccc1C(=O)NNC(=O)C1CC1	760054859	YIYPYEHZBXXSNY-UHFFFAOYSA-N	317.267	1.670	50	20	DDGD	
CCOC(=O)[C@@H]1CCC(=NNC(=O)NCCCOC)[C@H](C)C1	761261067	LLWXNYSEOKLIHY-VXGBXAGGSA-N	313.398	1.677	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2CNC(=O)C[C@H]2C(F)(F)F)c1	878097113	TZNDUWPJWUXDGH-GHMZBOCLSA-N	315.295	1.753	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CCC(=O)N1)c1cccc(OC)c1OC	872392467	MCQZCLUCVFCPFN-GFCCVEGCSA-N	319.361	1.213	50	20	DDGD	
CC[C@](C)(CC(=O)O)C(=O)NNC(=O)c1cccc(Cl)c1	872831563	NAAZZLVFQVZXME-CQSZACIVSA-N	312.753	1.992	50	20	DDGD	
O=C(NN=C1CCCc2ncccc21)[C@@H]1CN2CCC[C@@H]2CO1	872388189	DFFIGKYLRHUZNT-WBMJQRKESA-N	314.389	1.101	50	20	DDGD	
COC1(C(=O)NNC(=S)Nc2ccc(N(C)C)cc2)CCC1	874952608	AFVJSCTXCKXACH-UHFFFAOYSA-N	322.434	1.639	50	20	DDGD	
CC[C@@H](CO)C(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1	779725593	UCVWPLSGLUTYAU-NSHDSACASA-N	324.377	1.262	50	20	DDGD	
C=C[C@@](C)(O)CC(=O)NNC(=S)Nc1ccc(C)c(C)c1	873763140	OGWNHGAEPPAKJQ-OAHLLOKOSA-N	307.419	1.948	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2CCCC(=O)N2)c(C)c1	873760456	DCUIFJGPSNWLRQ-GFCCVEGCSA-N	320.418	1.290	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](C(C)(C)O)C1	879963038	TYNGQANSLVRMNN-OLZOCXBDSA-N	313.442	1.051	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)c1noc2c1CCCC2	874957011	XHILYKFRKPQQDG-UHFFFAOYSA-N	317.374	1.580	50	20	DDGD	
CC(CCn1cccn1)=NNC(=O)[C@@H]1COc2ccccc2O1	776758404	LJWHZHYEUSUOHH-HNNXBMFYSA-N	314.345	1.605	50	20	DDGD	
COCCOCC(=O)NN=C1CCCOc2c(OC)cccc21	872400225	PWERRUYTDKTSRK-UHFFFAOYSA-N	322.361	1.351	50	20	DDGD	
C[C@H]1CC[C@H](C(=O)NNC(=O)CNC(=O)c2cccs2)C1	776317523	UCXWXZRTUOOING-UWVGGRQHSA-N	309.391	1.062	50	20	DDGD	
Cc1cccc(N)c1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	772134877	DSXDTEZCLACQMS-NSHDSACASA-N	321.377	1.316	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)[C@H]1CCCN(C(N)=O)C1	885124360	SYJOMMIXQFKLBF-JTQLQIEISA-N	310.785	1.882	50	20	DDGD	
N#CCc1ccccc1CC(=O)NN=c1cc[nH]cc1Cl	777524089	RAKKHDKMGHWFOY-UHFFFAOYSA-N	300.749	1.909	50	20	DDGD	
O=C(CCc1cc(F)ccc1F)NNC(=O)C1CCOCC1	883062266	WDSPQZROUMHLON-UHFFFAOYSA-N	312.316	1.471	50	20	DDGD	
C[C@H]1CN(C2CCOCC2)CCN1S(=O)(=O)CCCCl	882136789	QZGIKOYGTLDUAN-LBPRGKRZSA-N	324.874	1.130	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C1CC(F)(F)C1	772182757	JGTFTGIHXPATFQ-MRVPVSSYSA-N	306.309	1.157	50	20	DDGD	
C[C@H](CCc1ccccc1)NC(=O)NNC(=O)c1cccnn1	883038202	AUKXHGGBYXPLHV-GFCCVEGCSA-N	313.361	1.442	50	20	DDGD	
C[C@@H]1CCCN(CCNC(=O)NNc2ccc(C#N)cn2)C1	887705440	OMHOMMHOGLUEFL-GFCCVEGCSA-N	302.382	1.311	50	20	DDGD	
Cn1ncc(C(=O)NNc2cnccn2)c1Cc1ccccc1	770495387	MNNSWXUWBWQEHN-UHFFFAOYSA-N	308.345	1.558	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)C1CCOCC1	883062084	QESOQOXQZDNTBA-QWRGUYRKSA-N	322.327	1.929	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)C2CCOCC2)c1	788253828	KLPYIVAKMBLESK-UHFFFAOYSA-N	306.366	1.650	50	20	DDGD	
COC(=O)[C@@H](CNS(=O)(=O)CCCCl)c1ccccc1	881942094	UHDCXRBIHUXNIA-LBPRGKRZSA-N	319.810	1.492	50	20	DDGD	
COc1cc(F)cc(NNC(=O)C(=O)Nc2cnc(C)nc2)c1	785241277	FKKJYEYGFJFWFM-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
CC[C@H](C)c1nc([C@H](C)NS(=O)(=O)CCCCl)n[nH]1	882125860	OLIFELJFRUQGBF-IUCAKERBSA-N	308.835	1.928	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccnc(OCC(F)(F)F)c1	782612938	JLYFDZCOGHHFMQ-UHFFFAOYSA-N	320.271	1.831	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1cccnc1N1CCCC1	887140764	RJLKHVNSFZFVIQ-UHFFFAOYSA-N	300.362	1.246	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc(C)c(NC(C)=O)c1	887141576	AIXGPSBOELIDIK-UHFFFAOYSA-N	301.346	1.518	50	20	DDGD	
O=C(NNc1ccc(F)c(F)c1)[C@H]1CCCCS1(=O)=O	885112699	AJABKZJONJSBSJ-LLVKDONJSA-N	304.318	1.375	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)C1CCOCC1)c1ccccc1	883300163	PMQICNPBAOKJLH-CQSZACIVSA-N	321.377	1.131	50	20	DDGD	
CNc1ccc(C(=O)NNc2cccc(OC)n2)cc1[N+](=O)[O-]	780771305	JKJKFURAURGKMD-UHFFFAOYSA-N	317.305	1.797	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2c(C)nc3ccccn23)ccn1	789875160	NTVGVMSCHKUHOG-UHFFFAOYSA-N	309.329	1.421	50	20	DDGD	
CN(CCNS(=O)(=O)CCCCCl)CC(F)(F)F	780777010	MFFJMOOYFKRFNV-UHFFFAOYSA-N	310.769	1.419	50	20	DDGD	
CC(C)(C)CC(=O)NN=Cc1cn(Cc2cccnc2)nn1	783846534	PHFDOAYYFRIEQW-UHFFFAOYSA-N	300.366	1.608	50	20	DDGD	
COC(=O)[C@H]1CC12CCN(S(=O)(=O)CCCCCl)CC2	780774384	AMCUQSGKWIILJE-LLVKDONJSA-N	323.842	1.610	50	20	DDGD	
Cn1cnc2cc(NC(=O)C(=O)NNc3ccccn3)ccc21	784793266	RSIVHGMVTYHPDJ-UHFFFAOYSA-N	310.317	1.050	50	20	DDGD	
COc1ccc(C)cc1NC(=O)C(=O)NNc1ccc(C)nn1	783954669	YCGQSCPQTYAHHM-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CCOc1ccc(C=O)cc1	899995185	LJEZLRFMMULJEK-UHFFFAOYSA-N	323.418	1.562	50	20	DDGD	
COc1ccc([C@@H](NC(C)C)C(=O)NNC(=O)C2CC2)cc1	895462441	PXXQKXCFWIJZHX-CQSZACIVSA-N	305.378	1.292	50	20	DDGD	
Cc1nc2ccnn2c(C)c1C(=O)NNc1ncncc1Cl	781824515	SYSHRUCBJAEVOH-UHFFFAOYSA-N	317.740	1.546	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)NCc2cn(C)cn2)cc(C#N)n1C	890116978	JJBWFKLTUDGMBW-YIXHJXPBSA-N	308.345	1.162	50	20	DDGD	
C[C@@H](NS(C)(=O)=O)C(=O)NN=CCC1CCCCCC1	799111417	CBEPVSQGUQGKHH-LLVKDONJSA-N	303.428	1.387	50	20	DDGD	
CCC(=O)N1CCC(=NNC(=O)c2ccc(O)c(O)c2)CC1	794559088	RDOOMHNREFTVMF-UHFFFAOYSA-N	305.334	1.216	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2ccc(N(C)C(C)C)nc2)n[nH]1	790155032	AHUJCDKGGGMYAV-UHFFFAOYSA-N	314.393	1.651	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1ccc(Cl)nn1	798153759	DIRAHZPNCGMUJE-UHFFFAOYSA-N	315.720	1.686	50	20	DDGD	
CCN1CCC(CNC(=O)NNC(=O)c2cccc(C)n2)CC1	792959437	FYOHIKDDPJOCFT-UHFFFAOYSA-N	319.409	1.066	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccc(C#N)c(OC)c1	799472395	RWJRBCBPRSJCEA-UHFFFAOYSA-N	302.378	1.749	50	20	DDGD	
CC(=O)CCCCCCC(=O)NNC(=O)NCC(F)(F)F	798313484	HUIXSKXMKJUOJS-UHFFFAOYSA-N	311.304	1.809	50	20	DDGD	
Cc1ccc(CCNC(=O)NNc2nc3ccccn3n2)o1	790166659	QHEXOKIKTDLNPV-UHFFFAOYSA-N	300.322	1.500	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)Cc2cccnc2)[nH]c1C	799479972	LNDZRQGQFKOHQT-UHFFFAOYSA-N	314.345	1.588	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1c(F)ccc(Br)c1F	799886221	LZQSIHGBIRZXJN-UHFFFAOYSA-N	321.121	1.948	50	20	DDGD	
CCOc1cccc(C=NNC(=O)c2n[nH]c3c2CCCC3)n1	1319361988	UAJVOGNSXMYRFY-UHFFFAOYSA-N	313.361	1.846	50	20	DDGD	
CC(=O)N(c1nc(/C=C(\C#N)C(N)=C(C#N)C#N)cs1)C1CC1	1318861022	AOTYCWLGDCICNB-ONNFQVAWSA-N	324.369	1.825	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CC[C@@H]([C@H]3CCOC3)C2)c1	1328803574	FYFINXLXEUBTBR-NEPJUHHUSA-N	323.418	1.769	50	20	DDGD	
CNC(=O)c1ccc(C=NNC(=O)c2ccc(OC)cc2)cc1	1322463295	LZGSUFKUBFKOGL-UHFFFAOYSA-N	311.341	1.819	50	20	DDGD	
CN1CCN(c2ccc(/C=C(/C#N)S(C)(=O)=O)cc2F)CC1	1321782973	DMLCCJVRGXIZMD-LCYFTJDESA-N	323.393	1.487	50	20	DDGD	
CCCc1n[nH]cc1C(=O)NNc1cccc(S(C)(=O)=O)c1	1320391506	YLNJJKZWLPHONQ-UHFFFAOYSA-N	322.390	1.523	50	20	DDGD	
CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1325725478	OYVTYYJVXOTLPT-JTQLQIEISA-N	321.425	1.216	50	20	DDGD	
CN(NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1)C(N)=O	1320102496	WZGXIPJOKAPEEU-UHFFFAOYSA-N	300.240	1.842	50	20	DDGD	
CC(C)OC(=O)C1CCN(S(=O)(=O)CCCCl)CC1	1331688463	HSHZCTXEQCAZGV-UHFFFAOYSA-N	311.831	1.609	50	20	DDGD	
CC1(C)CNC[C@H]1NC(=O)NNC(=O)c1c[nH]c2ccccc12	1335692207	NOWIGBLFLSXWLK-CYBMUJFWSA-N	315.377	1.110	50	20	DDGD	
CCNc1ncc(C(=O)NNc2nncc(N)c2Cl)s1	1334127244	FGBRYGLPJNOMSQ-UHFFFAOYSA-N	313.774	1.357	50	20	DDGD	
C=C(C)CN(C)c1nnnn1C[C@]1(C)C[C@@H]1Br	1334617339	RSHKBNWZAZVXNW-ONGXEEELSA-N	300.204	1.859	50	20	DDGD	
COc1ccc(F)cc1C(=O)NNc1nncc(N)c1Cl	1333586754	HEAMQJGORLNMHW-UHFFFAOYSA-N	311.704	1.617	50	20	DDGD	
CC[C@@H](CCc1ccccc1)NC(=O)NNC(=O)c1cn[nH]c1	1334930744	ODAZTIUUSSTOPP-AWEZNQCLSA-N	315.377	1.765	50	20	DDGD	
O=C(CN1CCC(CO)CC1)NNc1ccc2ccccc2n1	1332473734	KGZXXKJZAXLDJK-UHFFFAOYSA-N	314.389	1.382	50	20	DDGD	
CC(C)CN1CCC[C@H]1C(=O)NNC(=O)c1ccc(C#N)cc1	1335759356	LLPMVVAFLXHRHH-HNNXBMFYSA-N	314.389	1.440	50	20	DDGD	
O=C(NN=Cc1ccc2c(c1)OC(F)(F)O2)C1CCOCC1	1330895447	HAUZOVLUCHZLKK-UHFFFAOYSA-N	312.272	1.885	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H](C)[C@H]1CCC(=O)N1	1261818904	KLKMMTWBNNMYNK-BXKDBHETSA-N	306.322	1.261	50	20	DDGD	
O=C(Cc1c[nH]c2cnccc12)NNc1ncncc1Cl	1347698228	GUNQCTCRDXDMNV-UHFFFAOYSA-N	302.725	1.692	50	20	DDGD	
CC[C@H](C)N(CC)C(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1261770228	PZLFSNQZHVACQP-CWSCBRNRSA-N	319.243	1.923	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1CN2CCN1C[C@H]2C	1263818059	LKNSYFIXQKSWLR-HIFRSBDPSA-N	302.422	1.389	50	20	DDGD	
O=C(NNC(=O)C1CCC=CCC1)c1n[nH]c2c1CCCC2	1348912879	SXPNMHIHULJRRY-UHFFFAOYSA-N	302.378	1.796	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NC2(C(F)(F)F)CC2)cc1	1355014497	ZSLAPJLXDVKOHE-UHFFFAOYSA-N	312.251	1.597	50	20	DDGD	
N#CSCCCNS(=O)(=O)c1cccc(F)c1C(=O)O	1601079059	FITNVYBLBCJACI-UHFFFAOYSA-N	318.351	1.407	50	20	DDGD	
C[C@H](Oc1ccccc1C=NNC(=O)CC(F)(F)F)C(=O)O	1604444011	VNSZAHUBVORRAA-QMMMGPOBSA-N	318.251	1.941	50	20	DDGD	
O=C(O)CC1CC(NC(=O)NNc2cc(F)c(F)c(F)c2)C1	1601943278	GMXLNFQRZFKTOZ-UHFFFAOYSA-N	317.267	1.983	50	20	DDGD	
Cc1ncc(NC(=O)NNc2ccc(CC(=O)O)cc2)cn1	1600743845	OTJXPXACNNWIBX-UHFFFAOYSA-N	301.306	1.561	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2cc(C(=O)O)c(C)n2C)nc1	1600461744	USXYGTLLRMDSOT-UHFFFAOYSA-N	317.349	1.561	50	20	DDGD	
O=C(O)c1ccc(Cl)cc1C=NNC(=O)N1CCOCC1	1608893125	DDLCCMKSRGMNMM-UHFFFAOYSA-N	311.725	1.414	50	20	DDGD	
CCC(CC)(C(=O)O)C(=O)NNC(=O)c1cccc(OC)c1O	1603526056	SWLJUXIBUCHOHA-UHFFFAOYSA-N	324.333	1.053	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NN[C@@H](C(=O)O)c1ccc(Cl)cc1	1604833746	FQNNZSRHTIIKPV-XXILOJSOSA-N	312.753	1.512	50	20	DDGD	
O=C(CCOC[C@H]1CCCO1)NNc1ccccc1C(=O)O	1610658255	VALJRFLDEYECJE-LLVKDONJSA-N	308.334	1.414	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)[C@@H]1C[C@@]12CCOC2	1610288217	YPAIIVAPGVEKNO-ZUZCIYMTSA-N	306.318	1.263	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)cc1F)N[C@H]1CC[C@H](O)CC1	1610701528	RWOYGERAHMNEQM-MGCOHNPYSA-N	311.313	1.454	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H]3C[C@H](C)CN3C2)cc1	1548616092	UHLZIVHOPVKPRT-IMJJTQAJSA-N	315.417	1.876	50	20	DDGD	
O=C(NN=Cc1cccc(F)c1F)[C@H]1CN2CCC[C@H]2CO1	1549320425	ZQILIEPYPXYZCC-WCQYABFASA-N	309.316	1.278	50	20	DDGD	
O=C(NN=Cc1cc2ccccc2o1)[C@H]1CN2CCC[C@@H]2CO1	1549318587	PTLONRDYFZJSOG-CZUORRHYSA-N	313.357	1.746	50	20	DDGD	
C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@](C)(Cl)CCl)C2	1801600058	WNHHTVVDRYOPDI-FBKDDSFISA-N	317.216	1.494	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C=NNC(=O)c1ccon1	1553288186	PZMHSCLHSYKCBO-GXFFZTMASA-N	303.322	1.292	50	20	DDGD	
CC[C@H](C)C[C@H](N)C(=O)NNc1ccc(C)c(C(=O)OC)c1	1576981836	LXRDSLHGPNYDEK-HZMBPMFUSA-N	307.394	1.988	50	20	DDGD	
CO[C@@H]1CN[C@@](C)(C(=O)NNc2ccc([N+](=O)[O-])cc2C)C1	1573960614	LERZWQBSDNGOSG-SMDDNHRTSA-N	308.338	1.113	50	20	DDGD	
CCC1(C(=O)N2CCCC23CN(C(=O)[C@H](F)Cl)C3)COC1	1845908885	ZFISSIOXRKKUGC-JTQLQIEISA-N	318.776	1.151	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN1)c1sccc1-c1ccc(F)cc1	1580736255	PWKHWIAVECSPRG-LBPRGKRZSA-N	319.361	1.677	50	20	DDGD	
CC(C)(C)[C@H](C(=O)O)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	1588633683	JQRFYIRFKBNXIP-VIFPVBQESA-N	313.285	1.924	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1ccc2c(c1)OCCNC2	1580739741	MLBORQUGRBFKDB-UHFFFAOYSA-N	302.309	1.460	50	20	DDGD	
CCC(=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)CCl	1847439314	XTARKWJGXLCBEV-QWRGUYRKSA-N	314.813	1.432	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1cc(-c2nn[nH]n2)ccc1OC	1590748936	UDBKCJQXXZYQNX-CSKARUKUSA-N	314.305	1.258	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1ccc(C(=O)O)cc1F	1596932457	ZINFWWZWWYAWRW-VIFPVBQESA-N	314.313	1.409	50	20	DDGD	
CCc1cc(C(=O)NNc2ccccc2C(=O)O)cc(O)n1	1597430606	BLULBXNBNYYOOJ-UHFFFAOYSA-N	301.302	1.805	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc(F)c(C(=O)O)c1F	1590938687	KMPZNTPUKSPAHK-UHFFFAOYSA-N	301.249	1.472	50	20	DDGD	
COC(=O)C12CC(C(=O)NNc3ccc(F)c(C(=O)O)c3)(C1)C2	1598726601	ATSAPTPUUDPUCM-UHFFFAOYSA-N	322.292	1.310	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)CCc1cccnc1	1599376728	BOHWFHDAXIDPNK-UHFFFAOYSA-N	315.329	1.864	50	20	DDGD	
CC(C)(CSCC(=O)NNC(=O)c1ccccc1)C(=O)O	1590812544	ZQWJQNPURVZNHW-UHFFFAOYSA-N	310.375	1.292	50	20	DDGD	
CCc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)cc1	1590885692	ARLIYDVWVLZBPV-UHFFFAOYSA-N	309.333	1.581	50	20	DDGD	
CC[C@@H](C)[C@@H](C)NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1590398343	ANFPJPLIOVLKCT-RKDXNWHRSA-N	304.358	1.322	50	20	DDGD	
Cc1ccnc(NNC(=O)c2cccc(OCC(=O)O)c2)c1	1594425297	WHZCPUVBAWQORC-UHFFFAOYSA-N	301.302	1.610	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2cccc(C(=O)O)c2F)CCC1=O	1594203794	PZCQGGRKOYKGCF-RKDXNWHRSA-N	308.309	1.972	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=Cc1cc(C#N)ccc1C(=O)O	1776102555	SFTAIJRIRFFQGU-CHWSQXEVSA-N	301.302	1.132	50	20	DDGD	
NC(=O)c1ccccc1C=NNC(=O)c1cccc(C(=O)O)c1	1776095753	RNJQZVVAFUPWJG-UHFFFAOYSA-N	311.297	1.248	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C1CCCc2ncc(C(=O)O)cc21	1776082401	OCJFFHUUPAIGBP-ONGXEEELSA-N	317.345	1.361	50	20	DDGD	
CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCBr	1795492706	JPHNPBVOSNIRQS-JGPRNRPPSA-N	303.200	1.430	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)c1	150846609	RHKAQMHLQZCKEP-SNVBAGLBSA-N	317.324	1.353	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)C(=O)Nc1ccccc1	163603804	OQJBIZPOEKIKEH-UHFFFAOYSA-N	307.313	1.712	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cccc(C)c2Cl)n1	168713801	JVRQOCJVYJIEPI-UHFFFAOYSA-N	320.780	1.923	50	20	DDGD	
CC(C)CCn1cc(C(=O)NNC(=O)NCc2ccco2)nn1	151348933	SATLLXDROYGLTM-UHFFFAOYSA-N	320.353	1.061	50	20	DDGD	
O=C(NNc1nc2ccccc2c(=O)[nH]1)c1cc2occc2[nH]1	153996756	QDUZAPLRJMQQRX-UHFFFAOYSA-N	309.285	1.754	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1cccc2ccccc12	157669266	NRQIPPVWAQRGPR-UHFFFAOYSA-N	302.330	1.264	50	20	DDGD	
CCOc1ccc(S(=O)(=O)N(C)C)cc1NC=C(C#N)C#N	154280603	CYMFALZYOLAQMF-UHFFFAOYSA-N	320.374	1.679	50	20	DDGD	
NC(=O)COc1ccc(C(=O)NNc2ccc(F)cc2F)cc1	107358779	KQQIAKQLEITPBC-UHFFFAOYSA-N	321.283	1.586	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)[C@@H]1CCCO1	116174076	YCCHBWHQDGBFBR-AUTRQRHGSA-N	310.300	1.395	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC[C@@](C)(O)c1ccc(F)cc1F	178970214	AEVMZZFMXADXOG-TUPIDYKKSA-N	310.300	1.732	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccoc2)c(N)c([N+](=O)[O-])c1	104873467	DLZKQFROIOMRHJ-UHFFFAOYSA-N	304.262	1.153	50	20	DDGD	
O=C(NCCc1ccc([N+](=O)[O-])cc1)NNc1ncccn1	54646792	ZFRKMFLQZXDEFW-UHFFFAOYSA-N	302.294	1.254	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@@H](C(C)C)N(C)C)cc1	106426104	YBNPYUVTPZVNTN-OAHLLOKOSA-N	323.462	1.821	50	20	DDGD	
Cc1noc(C)c1CCC(=O)NNC(=O)NCc1ccco1	65177266	YHCGSYYKMINZFJ-UHFFFAOYSA-N	306.322	1.348	50	20	DDGD	
CS[C@H](C(=O)NNC(=O)c1cnn(C)c1)c1ccccc1	172408510	XTXLZOFOIGKQHF-LBPRGKRZSA-N	304.375	1.285	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NNC(=O)NCC)c1C	65190151	JZUSXQCEWUZJCU-ZROIWOOFSA-N	317.393	1.772	50	20	DDGD	
CSC[C@@H](C)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	66817205	LGBSNXNLGFINIH-NXEZZACHSA-N	314.382	1.740	50	20	DDGD	
CCNC(=O)NNC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C	65190599	DEPIKQAUIJAXCL-UHFFFAOYSA-N	310.354	1.161	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cccc(OCC(C)C)c1	110762174	ZRPSLWCCQVERFT-UHFFFAOYSA-N	316.361	1.828	50	20	DDGD	
C[C@H]1CN(C(=O)c2ccc(CNC=C(C#N)C#N)cc2)C[C@H](C)O1	67952302	PVCKBOSTSFFJAT-KBPBESRZSA-N	324.384	1.957	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cc(Oc2ccccc2)ccn1	174263954	YIXIFCWEFWPXDZ-UHFFFAOYSA-N	300.318	1.790	50	20	DDGD	
O=C(CSc1ccc(Cl)cc1)NNC(=O)[C@@H]1CCOC1	66894482	YWQSLXQWOAQEBV-SECBINFHSA-N	314.794	1.616	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)NC[C@H]1CCCO1)c1ccccc1	68446466	FSXXOADBQSKDJZ-ZIAGYGMSSA-N	305.378	1.690	50	20	DDGD	
CCc1ccc([C@H](C)C(=O)NNC(=O)c2c[nH]nc2C)cc1	110761282	ONHFFJYMKQFQJW-JTQLQIEISA-N	300.362	1.845	50	20	DDGD	
COc1ccc2nc(NNC(=O)c3cc[nH]c(=O)c3)c(C)cc2c1	183160330	ULVUXODGPUBUHY-UHFFFAOYSA-N	324.340	1.997	50	20	DDGD	
C[C@@H](Oc1cccc(F)c1)C(=O)NNC(=O)c1ccccc1O	24655282	QPVQYAWEEPXDNY-SNVBAGLBSA-N	318.304	1.760	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCc1nccn1C(F)F	170692746	LFLAGUSRUOFXSX-UHFFFAOYSA-N	305.285	1.517	50	20	DDGD	
CC(C)[C@@H](C)C(=O)NNC(=O)c1cc(Br)c[nH]1	171958347	XFTGMGUKXZWUSE-SSDOTTSWSA-N	302.172	1.830	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNC(=O)c1cccc2ncccc12	189740925	JQDMEJURFLDQSN-UHFFFAOYSA-N	308.341	1.957	50	20	DDGD	
CC[C@@H](C)NC(=O)CCNC(=O)NNc1cc(Cl)ccn1	180716365	UROMQJXFKLDNNQ-SECBINFHSA-N	313.789	1.666	50	20	DDGD	
CN1CCC[C@H]2CN(S(=O)(=O)CCCCCl)CC[C@@H]21	127928361	JICKWZAUTDSNJE-STQMWFEESA-N	308.875	1.751	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNc1cccnc1Cl	128577976	KHCKQVPFWXYLGX-NSHDSACASA-N	310.785	1.969	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1c[nH]nc1-c1ccccc1Cl	129843494	CLCKXTKGKZCPFG-UHFFFAOYSA-N	307.741	1.646	50	20	DDGD	
C[C@H](O)[C@@H](C)SCC(=O)NNC(=O)c1ccc(F)cc1	79051488	WCTXSGCLTTZWLV-DTWKUNHWSA-N	300.355	1.089	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC2CCCC2)cc1OC	31024799	CVZRLCRVTHDUPR-UHFFFAOYSA-N	307.350	1.590	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ccc(OC(F)F)cc2)nc1	122245177	VHINNGDUNFMLNS-UHFFFAOYSA-N	322.271	1.539	50	20	DDGD	
Cc1c(F)cccc1NC(=O)NNC(=O)Cc1ccncc1	186329604	UPHYKNYIGIWKGR-UHFFFAOYSA-N	302.309	1.925	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@H]1CC=CCC1	186068870	RZHWXNVVPOAPLY-NSHDSACASA-N	324.402	1.898	50	20	DDGD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NNc1nccc(OC)n1	184766714	KMUKAOCBLGDTLC-RYUDHWBXSA-N	308.382	1.914	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CO)c(C)n1[C@@H](C)c1ccccc1	182760793	OTYMZZRJNLEXMA-LBPRGKRZSA-N	315.373	1.468	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)C(C)(Cl)Cl)cc1	181876752	PACZMESGESUHLG-UHFFFAOYSA-N	320.176	1.448	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)C1=CCCCO1	188207980	SLCPSHQGEAAYRU-UHFFFAOYSA-N	303.347	1.738	50	20	DDGD	
CC[C@H](C)[C@H](C)C(=O)NNc1nccc(N2CCOCC2)n1	184208035	VRWQNBYIHOBOQF-RYUDHWBXSA-N	307.398	1.439	50	20	DDGD	
Cc1cccc(C)c1OCCNC(=O)NNc1ncccn1	47126110	IOHCOQZUOKXXIG-UHFFFAOYSA-N	301.350	1.799	50	20	DDGD	
COc1cccc(NNC(=O)NCCCNc2ccccn2)n1	181293471	DTRYMWHYTXMWDR-UHFFFAOYSA-N	316.365	1.614	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)c1cccnc1	43788137	IHGYBDMHRRIWOE-LLVKDONJSA-N	316.336	1.855	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F)n1cccn1	44668925	YJLJCSIGQZVKBZ-WDEREUQCSA-N	320.324	1.198	50	20	DDGD	
COC[C@@H](C)NC(=O)/C(C#N)=C\c1cc(C(=O)OC)c(C)o1	192546429	OZMRRZQKIMROKD-QQCYMQAYSA-N	306.318	1.433	50	20	DDGD	
Cc1ccc(C(=O)NNc2ncnc3ccsc23)c(=O)[nH]1	132964871	MECVASGHXIWNBM-UHFFFAOYSA-N	301.331	1.445	50	20	DDGD	
O=C(NCCCNc1ccccn1)NNc1ccc(Cl)nn1	194068183	RCKOLXUISUDUCL-UHFFFAOYSA-N	321.772	1.653	50	20	DDGD	
NC(=O)COCCNC(=O)CCCC[C@H]1CCSS1	224262100	ZKBSMYLOEXABBR-JTQLQIEISA-N	306.453	1.319	50	20	DDGD	
Cc1ccc([C@H](O)CNC(=O)NNC(=O)c2ccccc2)cc1	47008004	LDXMIAFNMBFEDB-OAHLLOKOSA-N	313.357	1.673	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1cc(-c2ccc(F)cc2)[nH]n1	97220376	MCOKEGNTMLZQDN-UHFFFAOYSA-N	313.292	1.619	50	20	DDGD	
CSCCNC(=S)NNC(=O)C[C@H]1C[C@H]2CC[C@H]1C2	245710107	CGYKTGRCHASKCY-GARJFASQSA-N	301.481	1.671	50	20	DDGD	
COCCn1c(C)cc(C=NNC(=O)c2ccccn2)c1C	254384337	UIBAOKOMTAOCQU-UHFFFAOYSA-N	300.362	1.910	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)N[C@@H]1CCC[C@@H]1C	264454473	WGUFDHXNDOOLNY-NWDGAFQWSA-N	321.377	1.593	50	20	DDGD	
C[C@H](C(=O)NNc1cc(Cl)cc(Cl)c1)S(C)(=O)=O	276742925	CYWLDVDMJUAZCM-ZCFIWIBFSA-N	311.190	1.870	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)N[C@@H]1CC=CCC1	270694121	AJDSNGXGOHFWAB-LLVKDONJSA-N	321.402	1.923	50	20	DDGD	
N#CC1=CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1	272734748	HJAATGCTPYWVFF-UHFFFAOYSA-N	321.358	1.623	50	20	DDGD	
CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)CCc1ccccc1O	274972506	IDDADWSRDYYUGG-LBPRGKRZSA-N	321.421	1.639	50	20	DDGD	
COC1(CNC(=O)NNC(=O)c2ccccc2O)CCCCC1	275145094	QTWAJHMSFTVPHV-UHFFFAOYSA-N	321.377	1.686	50	20	DDGD	
C=CCCO[C@@H](C)C(=O)NNC(=O)CSc1ccccc1O	270743865	YGKSTRJORLDGOD-NSHDSACASA-N	324.402	1.613	50	20	DDGD	
C[C@H](NC(=O)CC(C)(C)C)C(=O)NNc1nc2ccccn2n1	276684761	DJEWWAVJUNKKJR-JTQLQIEISA-N	318.381	1.113	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)CCC1CC1	274457604	VZLOMVNJJFNNQN-UHFFFAOYSA-N	312.391	1.732	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)c1	272009668	KBUQUNJLFIESMD-RAIGVLPGSA-N	310.375	1.101	50	20	DDGD	
CCCOCC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	283818151	YTQKEQLDDBDOSC-UHFFFAOYSA-N	317.292	1.867	50	20	DDGD	
N#CC1(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)CCOCC1	283799296	VKNKZSCAWCDICV-UHFFFAOYSA-N	324.287	1.438	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H](C)NC(=O)C(C)(C)C	288645554	LGNSSNQWCJGZMK-JTQLQIEISA-N	322.365	1.897	50	20	DDGD	
COCCN1CCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)CC1	289116438	DFWGEMKODNQHCL-FZSIALSZSA-N	316.361	1.723	50	20	DDGD	
CSSCCNC(=O)C1CCN(c2cnccn2)CC1	284027342	JONQXSNJKLLLOU-UHFFFAOYSA-N	312.464	1.820	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)C(C)(F)F)c1C	292745984	VCIBZDPKLDHULX-SNVBAGLBSA-N	300.305	1.873	50	20	DDGD	
COc1cc(CC(=O)NNc2nc(C)cc(C)n2)ccc1O	294220236	AUGWUGKSXSHHEW-UHFFFAOYSA-N	302.334	1.493	50	20	DDGD	
COc1ccc(CCNC(=O)/C(C#N)=C/c2cn(C)cn2)cc1	800792341	BJWPEPGKNFGEJJ-NTEUORMPSA-N	310.357	1.695	50	20	DDGD	
NC(=O)CSc1ccccc1C(=O)NCC(Cl)Cl	808130486	BGBAKINJNZNNBC-UHFFFAOYSA-N	307.202	1.798	50	20	DDGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CC[C@H](CC(N)=O)C1	808774908	FSJVVYYFLXJQOC-WEATXKJBSA-N	300.318	1.657	50	20	DDGD	
COc1ccc2[nH]c(C(=O)NNC(=O)[C@@H]3CC[C@H](C)O3)cc2c1	294000678	VCGIRVAOQVLDTL-XPTSAGLGSA-N	317.345	1.505	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)Nc2cc(F)cc(F)c2)c(C)n1	802000030	IPELQSSCRMOGSN-UHFFFAOYSA-N	321.287	1.838	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)CCCC(N)=O)cc2C1	299348575	JJDQPDOVAJBWNE-SECBINFHSA-N	323.418	1.290	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)NCc1nccn1C	298878665	KTBTXHSDVKWWPX-UHFFFAOYSA-N	323.788	1.813	50	20	DDGD	
CSSCCNC(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21	807229117	OGWXNERSFHOQAE-NXEZZACHSA-N	303.453	1.450	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NNc2cccc(F)n2)c1	805067414	RSOCCWQTHNLAMB-UHFFFAOYSA-N	314.280	1.063	50	20	DDGD	
Cc1cc(=O)c(C(=O)NNC(=O)CC(F)(F)F)cn1C1CC1	806536612	GZTGBAHMGSUBBH-UHFFFAOYSA-N	317.267	1.205	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)CCC2CC2)cc1	291140376	HQJDDCLAQIQOTR-UHFFFAOYSA-N	311.407	1.570	50	20	DDGD	
O=C(NNc1nnc[nH]1)c1cnc(OCC2CC2)c(Cl)c1	294028250	VLDMKPMSNBRCKF-UHFFFAOYSA-N	308.729	1.399	50	20	DDGD	
Cn1cncc1CC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	806497294	FTXXHHYGXWOSRI-UHFFFAOYSA-N	309.713	1.668	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN1CC[C@@H](C)C[C@@H]1C	299280160	MYQCVZQLBJODPJ-HIFRSBDPSA-N	317.433	1.805	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H](C(N)=O)[C@H](C)c1ccccc1	293594937	AKNHZKBLJNIQDS-IHZVEBQOSA-N	301.346	1.204	50	20	DDGD	
COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)CC2CCCC2)c1C	299589483	QDVMJGJZMGKWBX-UHFFFAOYSA-N	321.377	1.759	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2ccc[n+]([O-])c2)c(Cl)c1	802047327	BEXLCPKLQJGQFQ-UHFFFAOYSA-N	320.736	1.748	50	20	DDGD	
CC(C)(C)[C@@H]1C[C@H](NC(=O)NNc2ncncc2F)CCO1	292985327	JOQVITQRSHRDEN-KOLCDFICSA-N	311.361	1.836	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC2CCSCC2)cc1	299669712	WMJSFKQKEBYAGU-UHFFFAOYSA-N	323.418	1.600	50	20	DDGD	
CC1(C(=O)NNC(=O)CNC(=O)c2cccs2)CCCC1	299612115	FASXQYSCOPDVJC-UHFFFAOYSA-N	309.391	1.206	50	20	DDGD	
CN1C(=O)c2ccc(C(=O)NNC(=O)OC(C)(C)C)cc2C1=O	291106866	GFZVPXZXHRREGB-UHFFFAOYSA-N	319.317	1.082	50	20	DDGD	
CCC[C@@H](OC)C(=O)NNC(=O)Nc1cc(F)cc(F)c1	295797778	SCVAEERCYCBTEF-LLVKDONJSA-N	301.293	1.933	50	20	DDGD	
Cn1ncc2ccc(CNC(=O)NNC(=O)C3CCC3)cc21	812915124	BKIYAYJWQYSHBO-UHFFFAOYSA-N	301.350	1.204	50	20	DDGD	
Cc1cc(C#N)cnc1C(=O)NNC(=O)CCOc1ccccc1	815150355	ZQOASAMUHZGQRB-UHFFFAOYSA-N	324.340	1.492	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1cnn(-c2ccc(F)cc2)c1	814957359	OAKMZSGEHGQMQQ-UHFFFAOYSA-N	312.308	1.427	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)c2ccc(O)c(O)c2)cc1O	811648027	IWAKGWZMLKSNKJ-UHFFFAOYSA-N	316.313	1.966	50	20	DDGD	
Cc1oc(Br)cc1C(=O)NNC(=O)NC(C)C	819189554	IHAIENJPXPYQPI-UHFFFAOYSA-N	304.144	1.703	50	20	DDGD	
C[C@H]1C[C@H](C(=O)O)CCC1=NNC(=O)c1ccc(O)c(O)c1	814920975	PEZJYOHZRTYGPW-WCBMZHEXSA-N	306.318	1.704	50	20	DDGD	
Cc1c[nH]nc1C=NNC(=O)c1nn(-c2ccccc2)cc1O	814757682	MZJODDUTMIWAIT-UHFFFAOYSA-N	310.317	1.373	50	20	DDGD	
O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NNc1ncncc1F	817067543	MLZFQJDXSUMXBC-CHISNJGVSA-N	320.368	1.780	50	20	DDGD	
C[C@](O)(C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)C1CCC1	813366682	PDDRFPLHWFGCOO-FQWGAIOXSA-N	320.433	1.901	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@](C)(O)C2CCC2)c(OC)c1	813443408	OBEYSUHNKFSRFZ-MRXNPFEDSA-N	322.361	1.016	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)c1cc(F)c[nH]1	815442109	WCNIGPNDLWRSNQ-UHFFFAOYSA-N	300.293	1.570	50	20	DDGD	
O=C(Cc1ccccc1Cl)NNC(=O)N=c1cc[nH]cc1	728942723	YTDOURGZGTVGBV-UHFFFAOYSA-N	304.737	1.552	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1cc(CO)ccc1O	814764247	UMAITLDHQNTBAP-ZDUSSCGKSA-N	319.405	1.457	50	20	DDGD	
CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)c1ccc[nH]1	822230089	SSPANYJKNJFNKL-LBPRGKRZSA-N	322.409	1.353	50	20	DDGD	
CN(NC(=O)Cc1csc2nccn12)C(=O)OC(C)(C)C	496217264	PFQYMLQCWFKAPW-UHFFFAOYSA-N	310.379	1.836	50	20	DDGD	
CC(=O)N/C(=C/c1ccccc1)C(=O)NNC(=O)c1ccncc1	725869537	PVFGZYGRHTYCMS-RVDMUPIBSA-N	324.340	1.020	50	20	DDGD	
CCCN(CC)C(=O)c1ccc(C(=O)NNC(=O)NCC)cc1	729343190	LEVWUAFOIFYLOG-UHFFFAOYSA-N	320.393	1.523	50	20	DDGD	
CN(C)CC1(C(=O)NNC(=O)c2cc3ccccc3o2)CC1	820627490	OUPKEVPJSYQESQ-UHFFFAOYSA-N	301.346	1.536	50	20	DDGD	
CCC(=O)C1(C(=O)NNC(=O)c2ccc(OC)c(OC)c2)CC1	822189438	PRSFVPOTXHXKQP-UHFFFAOYSA-N	320.345	1.224	50	20	DDGD	
COC(=O)N1CC(NC(=O)NNc2ccc(C(C)C)cc2)C1	496079526	DMEFVUZXFGLXHM-UHFFFAOYSA-N	306.366	1.887	50	20	DDGD	
CC[C@@H](NCC(=O)NNC(=O)C(C)C)c1ccc(F)cc1F	828691735	FDMMYJWKZAOCND-CYBMUJFWSA-N	313.348	1.809	50	20	DDGD	
CC(C)(C)c1ncsc1NC(=O)c1ccc(B(O)O)cc1	584957172	LCDPQYCSSYEZLY-UHFFFAOYSA-N	304.180	1.373	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCC1CCC(C#N)CC1	826705203	ZEOAEOKOCBXCKT-WTIISPKJSA-N	308.382	1.072	50	20	DDGD	
N#C/C(=C\c1ccc(-c2nn[nH]n2)cc1)C(=O)N=c1cc[nH]cc1	826379685	YRPSXEVCRKCQLB-UKTHLTGXSA-N	317.312	1.229	50	20	DDGD	
CCCn1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cn1	825357139	ZVXVPSAQTRAFII-UHFFFAOYSA-N	312.337	1.230	50	20	DDGD	
OB(O)c1ccc(CNCCOC2CCCCCC2)c(F)c1	585023960	RHISWDNYZWDMIS-UHFFFAOYSA-N	309.190	1.335	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(Cl)cc1O	825504301	WQGMHSCVNPOENI-PWSUYJOCSA-N	310.737	1.398	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)CCc1cccc(F)c1	901887729	TUUQXYSEDPIUAR-UHFFFAOYSA-N	316.398	1.755	50	20	DDGD	
C[C@@H]1[C@@H](CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CCC[C@H]1C	826677251	KMSKEMKSTQABMF-MBJXGIAVSA-N	311.426	1.814	50	20	DDGD	
CCC[C@@]1(C)CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1	584953414	CMONXJCQOLKRDY-INIZCTEOSA-N	307.174	1.548	50	20	DDGD	
CCCN(NC(=O)CC1OCCCO1)C(=O)OC(C)(C)C	495765604	XUBSTQBPBRXMEQ-UHFFFAOYSA-N	302.371	1.818	50	20	DDGD	
O=C(CN1CCOC1=O)NNc1cccc(Cl)c1Cl	823547116	UBBAPUZFMZASJM-UHFFFAOYSA-N	304.133	1.889	50	20	DDGD	
CCCN(NC(=O)c1ccc2nnnn2c1)C(=O)OC(C)(C)C	495758267	DCAFXYTWOOZXOQ-UHFFFAOYSA-N	320.353	1.416	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccnc(NC2CCC2)c1	900001855	FBPNTTAABOOJLO-UHFFFAOYSA-N	313.361	1.459	50	20	DDGD	
CC(C)(c1ccccc1)C1(NC(=O)c2ccc(B(O)O)cc2)CC1	585000525	RAHGDJZCRODMFD-UHFFFAOYSA-N	323.201	1.607	50	20	DDGD	
O=C(C[C@@H]1CCC(=O)N1)NNc1ccccc1OC(F)(F)F	832518049	VCWRWJVHJWVVDM-QMMMGPOBSA-N	317.267	1.697	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CC[C@@H](B(O)O)C1	585066289	MSANIBYEXPWOAZ-RKDXNWHRSA-N	315.537	1.322	50	20	DDGD	
O=C(N1CC[C@@H](B(O)O)C1)C1(c2ccc(F)cc2F)CCCC1	585063754	GRTABXGOFMRVNI-LLVKDONJSA-N	323.148	1.852	50	20	DDGD	
O=C(NNS(=O)(=O)c1cccc2ccncc12)C1CCCC1	901849711	GQELFRBUVVWPGB-UHFFFAOYSA-N	319.386	1.735	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)C1CCSCC1	732999184	ATTLIZHZVAENBC-UHFFFAOYSA-N	314.432	1.676	50	20	DDGD	
CC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)c1nccs1	732621736	HIVDSZGWPQJKTL-UHFFFAOYSA-N	305.319	1.788	50	20	DDGD	
Cc1cc(NNC(=O)Cc2nnc(O)c3ccccc23)ncn1	734254157	LEADOONHVATFJE-UHFFFAOYSA-N	310.317	1.120	50	20	DDGD	
CC[C@H]1CCCN1C(=O)NNC(=O)COCc1ccccc1	738495568	FPXGTVXIYGQTMQ-AWEZNQCLSA-N	305.378	1.818	50	20	DDGD	
COc1ccc(NNC(=O)NCCc2scnc2C)nc1	836577437	JVRJKRSOMXWRGO-UHFFFAOYSA-N	307.379	1.724	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccccc1CSc1nc[nH]n1	737817228	XWMCIYKRPQRRIN-UHFFFAOYSA-N	320.378	1.061	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)[C@@H]2CCCCO2)[C@H](n2cncn2)C1	834987458	XPKXACCTUQTPJX-BNOWGMLFSA-N	305.382	1.681	50	20	DDGD	
CCCN(CCC)C(=O)CCCC(=O)NNC(=O)C1CCC1	732292733	QYAZCPGEKIRKIJ-UHFFFAOYSA-N	311.426	1.753	50	20	DDGD	
O=C(NN=C1CCC[C@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)C1	732527906	ACLFMBIZOPQNQP-KGLIPLIRSA-N	320.414	1.861	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cncc(O)c1	731864886	DAPXNMAJRUKUPS-SECBINFHSA-N	319.292	1.155	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNc1ccc(C(=O)O)cn1	833421774	COSGZGLGIDXLSG-UHFFFAOYSA-N	322.365	1.165	50	20	DDGD	
CO[C@@](C)(C1CC1)[C@@H](C)NCC(=O)NNC(=O)c1ccccc1	839636797	BPHVWLIEPXDPEX-SJKOYZFVSA-N	319.405	1.241	50	20	DDGD	
Cc1nn(C)c(C)c1[C@H](C)C(=O)NNc1nccnc1Cl	734261838	KWTJOQFUXFURJP-ZETCQYMHSA-N	308.773	1.727	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCC[C@H]1Cc1ccccc1	584930165	ZSUMURBASQIOPX-KRWDZBQOSA-N	309.174	1.214	50	20	DDGD	
CC(C)C(=O)NN=C1CCS(=O)(=O)c2cc(F)c(F)cc21	731923902	JAUWVWJHDXCACD-UHFFFAOYSA-N	316.329	1.619	50	20	DDGD	
O=C(NCC[C@H]1CCc2ccccc21)c1cccc(B(O)O)c1	584995661	PUYNTCPWDUESLN-CQSZACIVSA-N	309.174	1.216	50	20	DDGD	
Cc1cc([N+](=O)[O-])c(C(=O)NNC(=O)NC2CC2)cc1Cl	836479370	KZXLHZCOYWCYNO-UHFFFAOYSA-N	312.713	1.663	50	20	DDGD	
CCCN1C[C@H](C(=O)NNc2nccnc2C2CCC2)CC1=O	839764363	AIPRXSZFQAAFHP-GFCCVEGCSA-N	317.393	1.446	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CCCCN2C(=O)C(C)C)ncn1	734253899	KFMLHTOWJMSBJI-GFCCVEGCSA-N	305.382	1.265	50	20	DDGD	
CCn1nc(C)c(C=NNC(=O)CCN2CCCCCC2)n1	834931846	XGILGSHZTAJJPR-UHFFFAOYSA-N	306.414	1.323	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cc2c(cn1)CCC2	831840408	NWYHGAFEELTOSL-CABZTGNLSA-N	304.350	1.148	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1cc(=O)c2ccccc2o1	914845134	QBYAZEKVCCBECX-UHFFFAOYSA-N	300.314	1.744	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCC(=O)c1ccc(F)cc1F	910170070	JHUVKJBBVUUXOH-VIFPVBQESA-N	300.305	1.272	50	20	DDGD	
CN1CCC(NC(=O)NNc2c(F)cc(F)cc2F)CC1	913881552	BCSSEMQGNREOJG-UHFFFAOYSA-N	302.300	1.824	50	20	DDGD	
CCOC(=O)c1ccc(C=NNC(=O)NCc2ccco2)o1	748248619	ILALUXJPJYOOKF-UHFFFAOYSA-N	305.290	1.883	50	20	DDGD	
O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccncc1	919676683	OWEJZTFPBKSROM-UHFFFAOYSA-N	304.237	1.204	50	20	DDGD	
Cc1n[nH]c(C)c1C=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1	915955150	WMGFRKYUNPQZOO-IJLUTSLNSA-N	321.425	1.222	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCc1cc2ccccc2nc1O	910154894	IGAYBDYYBMEHAI-NSHDSACASA-N	303.362	1.217	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)C#Cc1ccc(C(F)(F)F)cc1	910152241	KEYWLEHWUTYWNC-JTQLQIEISA-N	300.280	1.401	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1cc(O)nc2ncccc12)N(C)C	913994129	VUECIRJXCMJNPT-CYBMUJFWSA-N	303.366	1.365	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)COc1ccc(F)cc1	916331854	XFJDMECQKOYZPP-UHFFFAOYSA-N	304.325	1.705	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1	912580371	CPBFURRURYSRDC-VXGBXAGGSA-N	312.486	1.745	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCCC1=NNC(=O)c1cccc(C#N)c1	741463473	CBVHSCZGRDBKHP-CQSZACIVSA-N	319.386	1.631	50	20	DDGD	
C[C@@]1(c2ccccc2)C[C@H]1NC(=O)NNC(=O)Cc1cccnc1	743589031	OIOPXGWDSWBEOA-QAPCUYQASA-N	324.384	1.685	50	20	DDGD	
Cc1cc(C)c2c(c1)OCCC2=NNC(=O)C(=O)N1CCCC1	748136926	XRGRGKIPIXPHMW-UHFFFAOYSA-N	315.373	1.529	50	20	DDGD	
COCC[C@@H](C)CNC(=O)NNC(=O)c1c[nH]c2ccccc12	840402136	ILJLVBAPDCVUFX-LLVKDONJSA-N	318.377	1.785	50	20	DDGD	
NC(=O)[C@]1(NC(=O)CCCC[C@H]2CCSS2)CCOC1	848320654	ZJHYJYDZMIKGNO-GWCFXTLKSA-N	318.464	1.461	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)NCc1nc(O)n[nH]1	748419349	PPNYORWJNBDXBI-MRVPVSSYSA-N	302.425	1.841	50	20	DDGD	
C[C@@H]1CCN[C@H](C(=O)NNc2ncc(Br)cn2)C1	848436021	CXGBAUAZVGIWBN-APPZFPTMSA-N	314.187	1.070	50	20	DDGD	
Cc1n[nH]cc1C=NNC(=O)COc1ccccc1[N+](=O)[O-]	915948648	QFCJEOOIJVKBOF-UHFFFAOYSA-N	303.278	1.155	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1CCC[C@H](CO)[C@H]1C	841574748	GLEBQDCFCANZQH-CHWSQXEVSA-N	305.378	1.442	50	20	DDGD	
O=C(NNc1c(Cl)cccc1Cl)[C@H]1CCS(=O)(=O)N1	845822458	XMTLHJCUYJHEFY-MRVPVSSYSA-N	324.189	1.128	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@H]2CCc3ncncc3C2)n1	843909446	HGVLTEMDXXURGR-VIFPVBQESA-N	318.768	1.477	50	20	DDGD	
CCCCn1ncc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1CC	843660218	WASZDWROMCRSGP-RYUDHWBXSA-N	322.409	1.432	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C(C)c1cncnc1C	848400740	OQWZQTVQGSQWOY-UHFFFAOYSA-N	314.345	1.713	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc(C(=O)c2cc[nH]c2)cc1	748712530	WKAWGIDMENVUPL-UHFFFAOYSA-N	311.341	1.807	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1cc(C(=O)O)ccc1O	842555883	RMOINEVIRPPKAP-ONGXEEELSA-N	306.318	1.356	50	20	DDGD	
COc1cccc2c1NC(=O)C2=NNC(=O)NC1CCCCC1	842522337	NNSMECWOARXFIY-UHFFFAOYSA-N	316.361	1.983	50	20	DDGD	
CCCn1ncc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1C1CC1	843658679	FJZNSFWRZIBLKV-ZYHUDNBSSA-N	320.393	1.357	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(F)ccc1Cl	843660431	LGQFKQIOZFTKCB-APPZFPTMSA-N	300.717	1.665	50	20	DDGD	
CC[C@@H](Oc1ccccc1F)C(=O)NNc1nnc(C)c(O)n1	748288966	ACUWJDRAYUYPLM-SNVBAGLBSA-N	321.312	1.325	50	20	DDGD	
CC(=O)NNC(=O)c1ccc(C)c(NC(=O)NC(C)(C)C)c1	740921049	CAGVHCLNJTWCHA-UHFFFAOYSA-N	306.366	1.696	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)N[C@@H]1CC=CCC1	847322042	IRFLWSVPPLCPOQ-SECBINFHSA-N	312.171	1.974	50	20	DDGD	
CC[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(C)=O	929181681	FINJYLYNLNNXKA-KOLCDFICSA-N	301.387	1.483	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)c2cnn(C(C)C)c2)cc1	846377728	JODSVMLMFZISCD-UHFFFAOYSA-N	316.361	1.936	50	20	DDGD	
O=S(=O)(CBr)N[C@@H]1COCc2ccccc21	841569559	BRKRITQSEISAKB-SNVBAGLBSA-N	306.181	1.530	50	20	DDGD	
CC[C@H](C)Oc1cccc(S(=O)(=O)NNC(=O)C(C)C)c1	849303591	GJMYVZUCUQSCJA-NSHDSACASA-N	314.407	1.829	50	20	DDGD	
COCCN(C)NC(=O)CCc1ccccc1N1CCOCC1	854414184	WGOWRQRWFBONHP-UHFFFAOYSA-N	321.421	1.065	50	20	DDGD	
O=C(NN=Cc1cc2cccnc2o1)[C@@H]1CN2CCC[C@@H]2CO1	853390873	PXQOLSWGNUDHAL-OCCSQVGLSA-N	314.345	1.141	50	20	DDGD	
CC(C)(C)[C@H](C(=O)O)C(=O)NNc1nc(-c2cccnc2)no1	852950763	KOXFIBDUOWFAMH-VIFPVBQESA-N	319.321	1.322	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CSc1ccccc1[N+](=O)[O-]	920814094	PJFPYCCHMVKWBD-UHFFFAOYSA-N	311.363	1.880	50	20	DDGD	
C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=O)c2cccc(F)n2)C1	857870861	IRZKBYLALLIVOA-SCZZXKLOSA-N	317.324	1.071	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)C1CC2(CC2)C1	854190983	QATDASQNDBNMKM-UHFFFAOYSA-N	304.346	1.412	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)Cc1cnccc1Cl)C1CC1	855097066	ISLLQTTWCGVIMR-MRVPVSSYSA-N	312.826	1.571	50	20	DDGD	
Cc1[nH]nc(C(=O)NC[C@@]2(C)C[C@@H]2Br)c1[N+](=O)[O-]	857401798	MRLNRJXWSWBWDB-QUBYGPBYSA-N	317.143	1.530	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)NCC1=CCCC1	852030461	JRKIBEPOKJXDMJ-UHFFFAOYSA-N	303.362	1.896	50	20	DDGD	
CC1(CC(=O)NNC(=O)c2cc(Br)c[nH]2)CC1	757799823	KBOWCZMDOMFBGO-UHFFFAOYSA-N	300.156	1.728	50	20	DDGD	
CCN1CCN(C(=O)NC[C@@]2(C)C[C@@H]2Br)CC1	856948684	NUPGIOYXPCTUCW-CMPLNLGQSA-N	304.232	1.507	50	20	DDGD	
CC(C)C[C@@H](CO)NC(=O)NC[C@]1(C)C[C@@H]1Br	856894535	UJQJTYNGMWDBMR-NHCYSSNCSA-N	307.232	1.866	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NNC(=O)C2CCCC2)cc1	753345949	UIRIJAXCLIKSMH-UHFFFAOYSA-N	318.377	1.414	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2cnn(C3CC3)c2)c1	858158337	GYAKZDZNSXCSQF-UHFFFAOYSA-N	313.361	1.359	50	20	DDGD	
COCCN(CCOC)C(=O)NC[C@@]1(C)C[C@@H]1Br	856754142	CLEXZTCRXCSVEV-CMPLNLGQSA-N	323.231	1.464	50	20	DDGD	
CCn1nccc1C=NNC(=O)CCCNC(=O)C(C)(C)C	853407234	LFCLYDILIHUUBE-UHFFFAOYSA-N	307.398	1.296	50	20	DDGD	
CN1CCC[C@@H]1CNC(=O)NC[C@@]1(C)C[C@@H]1Br	856838784	IJDDRKAFVCFVOP-JFGNBEQYSA-N	304.232	1.553	50	20	DDGD	
CCc1c(C(=O)NNc2ccc(C)c(C(=O)OC)c2)cnn1C	857268110	XWCHFEWTWGDJFY-UHFFFAOYSA-N	316.361	1.834	50	20	DDGD	
Cc1[nH]nc(C(=O)NC[C@]2(C)C[C@H]2Br)c1[N+](=O)[O-]	857401793	MRLNRJXWSWBWDB-LDWIPMOCSA-N	317.143	1.530	50	20	DDGD	
COC1(C(=O)NNC(=O)c2ccc3c(c2)OCO3)CCCC1	754160824	DOMPTFRIGYNGGB-UHFFFAOYSA-N	306.318	1.136	50	20	DDGD	
COC[C@H](OC)C(=O)NNC(=S)Nc1cccc(C)c1C	854186007	DLTVFNYXNUXCLP-LBPRGKRZSA-N	311.407	1.282	50	20	DDGD	
CC(C)Oc1ccccc1CC(=O)NNC(=O)c1cc[nH]n1	855359490	UDCSPMRAXCNFKR-UHFFFAOYSA-N	302.334	1.201	50	20	DDGD	
Cc1cc(OCC(=O)NC[C@@]2(C)C[C@H]2Br)no1	857403538	IXULIJQTJVQPQH-LDYMZIIASA-N	303.156	1.652	50	20	DDGD	
COC(=O)C[C@@H]1CN(C[C@H](CBr)C2CC2)CCO1	859157984	VVRXHLIRSXSNKB-NWDGAFQWSA-N	320.227	1.671	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CCCC23OCCO3)C[C@H]1Br	857387818	NDRDMTAPCCXEGD-HOSYDEDBSA-N	318.211	1.819	50	20	DDGD	
O=C(C[C@@H]1OC(=O)c2ccccc21)NN=c1cc[nH]cc1Cl	757417846	RSDJRPONUKENJS-ZDUSSCGKSA-N	317.732	1.902	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc3nc(O)oc3c2)o1	752780674	FJYOESBKWHAPFG-UHFFFAOYSA-N	301.258	1.510	50	20	DDGD	
CCn1nc(C(=O)NC[C@]2(C)C[C@@H]2Br)ccc1=O	857398320	QERMTBBPZMATRH-CABZTGNLSA-N	314.183	1.167	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)OCC(F)(F)F)c(O)n1	856021424	OMOMZZPEEONNJF-UHFFFAOYSA-N	307.228	1.337	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Cc1ccc(OC)c(OC)c1	757779745	BWCWYARTTPUXGP-UHFFFAOYSA-N	304.346	1.197	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1n[nH]c2ccccc12)C1CC1	751615775	BDJLUZICMHQGDJ-MRVPVSSYSA-N	303.391	1.470	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cn(CC)nn1)c1ccccc1	932502359	PXWSQMKSEDGQJA-GFCCVEGCSA-N	301.350	1.253	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C2CCCC2)cc(OC)c1O	763771716	OZCIZQYNAVXTRS-UHFFFAOYSA-N	308.334	1.361	50	20	DDGD	
Cc1ccc(-c2ccnn2C)cc1NCc1ccccc1B(O)O	864035976	IVTULRTZEWKNHC-UHFFFAOYSA-N	321.189	1.687	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=C2CCC(O)CC2)n1	761746838	YWNLIDYSOWWMCA-UHFFFAOYSA-N	308.407	1.593	50	20	DDGD	
COCCOCC(=O)NNC(=O)C1CC(c2ccc(F)cc2)C1	869904324	VSRHFXCXMCMKIJ-UHFFFAOYSA-N	324.352	1.130	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNc2cnccn2)ccc1F	769973006	BTIWAIHUHFRBSP-UHFFFAOYSA-N	305.269	1.551	50	20	DDGD	
COC1(C=NNC(=O)Cn2ccc3ccccc32)CCOCC1	761807502	RCUMZTHQVDZUFT-UHFFFAOYSA-N	315.373	1.939	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)c2cn(C)cn2)cc1	760134799	WIVRQMFJIXUGCW-UHFFFAOYSA-N	319.390	1.450	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cccc(N2CCCC2=O)c1	768548543	ZASPDKUQCYMOEO-UHFFFAOYSA-N	319.365	1.511	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CC(F)(F)C(F)(F)F	865568635	VTLPPJJRDHMYBX-UHFFFAOYSA-N	300.187	1.067	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cnc2nccnc2c1	760019110	RVZMONGTXOUVNX-UHFFFAOYSA-N	323.312	1.568	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc2occc2c1	861803756	CXAFABUGHGKPBZ-SECBINFHSA-N	303.318	1.565	50	20	DDGD	
CCN(Cc1ccccc1NC(=O)NNC(=O)C1CC1)C(C)=O	764613951	GVIDITIUUJECEP-UHFFFAOYSA-N	318.377	1.618	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC[C@@H]([C@@H]2CCNC2)C1	866768292	AMQMVCQLBCYEPQ-CHWSQXEVSA-N	322.902	1.903	50	20	DDGD	
O=C(NNc1ncccc1F)c1cncc(N2CCCC2)n1	868255747	LEEWLVYTJRWPQQ-UHFFFAOYSA-N	302.313	1.368	50	20	DDGD	
CN(NC(=O)[C@H]1COc2ccc(O)cc2O1)C(=O)OC(C)(C)C	868857551	SXUZYMRXPWKBJI-GFCCVEGCSA-N	324.333	1.430	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Nc2nc3ccccn3n2)c1	760030792	GMMWMEDPWJEIGY-UHFFFAOYSA-N	321.300	1.067	50	20	DDGD	
C[C@H](NNC(=O)C[C@H]1Oc2ccccc2NC1=O)C(F)(F)F	862304846	GBBNLUHSCJQOAU-OIBJUYFYSA-N	317.267	1.348	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C[C@@H](C)C(=O)c2ccccc2)n[nH]1	765588949	VZKDLRMCVJVTNX-SNVBAGLBSA-N	314.345	1.388	50	20	DDGD	
O=C(O)c1ccc2c(c1)CCCCC2=NNC(=O)c1cn[nH]c1	863154166	PSSGCIOPXKFIRK-UHFFFAOYSA-N	312.329	1.968	50	20	DDGD	
CCc1noc(CCCC(=O)NNc2nc3ccccc3[nH]2)n1	768495506	KXCWNBZVSMYEPM-UHFFFAOYSA-N	314.349	1.974	50	20	DDGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=C2CCN(C)C2=O)c1	761743473	PPTGEBOMXSFXQG-UHFFFAOYSA-N	317.389	1.832	50	20	DDGD	
Cc1ccc(NC(=O)NNc2nc(O)c3cnn(C)c3n2)cc1	769934319	REVXJUFBZGZJCM-UHFFFAOYSA-N	313.321	1.526	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)c2ccncc2F)c1	768785890	OKKPNPSMMCXAFJ-UHFFFAOYSA-N	314.345	1.833	50	20	DDGD	
CC1(C)C[C@@]1(C(=O)O)C(=O)NC[C@@]1(C)C[C@H]1Br	1118809327	HPGJSUWQMDMDDI-HFKOZYHYSA-N	304.184	1.777	50	20	DDGD	
COc1ccc(OC)c(-n2nnnc2SC/C=C/C#N)c1	763305683	WBYAMWSWMFVIIL-ONEGZZNKSA-N	303.347	1.851	50	20	DDGD	
COCCO[C@@H]1C[C@H](CO)CN(C[C@H](C)CBr)C1	773966543	YGZZPCNTIWFPDX-FRRDWIJNSA-N	324.259	1.363	50	20	DDGD	
COCCOCC(=O)NN=C1C[C@H](OCC(C)C)C1(C)C	872401764	ILMKXIXVANRHCX-ZDUSSCGKSA-N	300.399	1.593	50	20	DDGD	
O=C(NC[C@@H](n1cncn1)C(F)(F)F)NNc1ccccc1	875985484	CJVKBKVYWZYJKM-SNVBAGLBSA-N	314.271	1.708	50	20	DDGD	
CCNc1ccccc1C=NNC(=O)[C@@H](C)CN1CCOCC1	872337041	RYBRRRZJVILQBT-AWEZNQCLSA-N	318.421	1.537	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2cnn(CC(F)F)c2)cc1	1117697951	SBKHLVQFFLQGAJ-UHFFFAOYSA-N	308.288	1.921	50	20	DDGD	
C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NNc1ccnc(N(C)C)n1	878920287	PQTVLEGPYCEPNQ-ZANVPECISA-N	315.381	1.075	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cc(F)cc(Cl)c1	776726265	MKHOTMFVLBERCE-VIFPVBQESA-N	302.733	1.981	50	20	DDGD	
CC[C@]1(C(=O)NNc2nccc3sccc23)CCNC1=O	878856479	ISHLRWJKRKZSKJ-AWEZNQCLSA-N	304.375	1.656	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1	1116189614	RVMZDWVJOPKZIM-UHFFFAOYSA-N	317.257	1.478	50	20	DDGD	
CC(C)(C)OC(=O)CCCC(=O)NNC(=O)Cc1ccncc1	1118208432	LKSFVYWPUBGMRN-UHFFFAOYSA-N	321.377	1.284	50	20	DDGD	
COc1cc(OC)cc(N2CC[C@H](NC(=O)CCl)C2=O)c1	1116439214	NHGYSYQUFRLIJE-LBPRGKRZSA-N	312.753	1.164	50	20	DDGD	
CC(C)[C@H]1CCC[C@H](NC(=O)NNC(=O)C2CCNCC2)C1	1118026145	ARMRMLPBZIMGOC-KBPBESRZSA-N	310.442	1.531	50	20	DDGD	
Cc1nc(C)c(CC(=O)OC[C@@H](C)CBr)c(O)n1	770338427	DADGRBNYDMJEKA-ZETCQYMHSA-N	317.183	1.916	50	20	DDGD	
O=C(NN=C1CCC(O)(C(F)(F)F)CC1)C1CCOCC1	1119362033	WOVWTUMRNSIMGN-UHFFFAOYSA-N	308.300	1.753	50	20	DDGD	
C=C[C@H](COC)NS(=O)(=O)c1ccc(CCCl)cc1	1116615772	MWOCCDIYDDZMDU-GFCCVEGCSA-N	303.811	1.947	50	20	DDGD	
CC[C@@H](COCC(F)(F)F)NC(=O)NN=c1cc[nH]c(C)c1	875631274	ZJZATPSGTLHITE-JTQLQIEISA-N	320.315	1.796	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)Cc1ccc(F)cc1	771888057	FGTCDXRPBRDFLB-NSHDSACASA-N	324.352	1.493	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(C(C)=O)c(C)nc2C)n1	777128161	UCUPLUJTRAMMBV-UHFFFAOYSA-N	315.333	1.457	50	20	DDGD	
O=C(NCCc1cc2ccccc2[nH]1)NNC(=O)C1CCC1	771232131	QROKGSMWNPSFLB-UHFFFAOYSA-N	300.362	1.841	50	20	DDGD	
O=S(=O)(CCCCl)N1CC[C@H](OCc2ccncc2)C1	882147349	LWESYESALUPPLL-ZDUSSCGKSA-N	318.826	1.631	50	20	DDGD	
Cn1ncc2c(O)nc(NNC(=O)c3ccc(Cl)s3)nc21	770973585	NJSUOUPSMRYKFY-UHFFFAOYSA-N	324.753	1.541	50	20	DDGD	
Cc1cccc(C(=O)NN=C2CCOC3(CCOCC3)C2)n1	884459774	KOGGYGWENWVQHF-UHFFFAOYSA-N	303.362	1.835	50	20	DDGD	
CCNS(=O)(=O)c1cccc(C(=O)NNc2ccccn2)c1	777472807	YFOUPKJQKJZXQY-UHFFFAOYSA-N	320.374	1.137	50	20	DDGD	
Cc1cccc([C@H](C)CNC(=O)NNC(=O)C2CCOCC2)c1	883449135	ALXFCRBALQNVBE-CYBMUJFWSA-N	319.405	1.856	50	20	DDGD	
C[C@@H](CN(C)C)[C@H]1CCCCN1S(=O)(=O)CCCCl	882432107	NDFZPTOVGAWYGL-QWHCGFSZSA-N	310.891	1.997	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1ccc(F)c(Br)c1	785457647	CTIVOYGXXQSBDK-UHFFFAOYSA-N	303.131	1.809	50	20	DDGD	
O=C(NCc1ccc(Cl)cc1)NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21	787426560	ACQWGNCCMXPRGA-JHJVBQTASA-N	323.780	1.595	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@H]1CCCC12OCCO2	889506338	LZDPFGUAQDUZHD-QMMMGPOBSA-N	313.745	1.052	50	20	DDGD	
Cc1ccc2c(c1)[C@@H](NC(=O)NNC(=O)C1CCOCC1)CC2	883345840	LLAIXOBOTZJQMA-HNNXBMFYSA-N	317.389	1.739	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2	887145541	HXJHQCRHBMIPLW-UHFFFAOYSA-N	313.357	1.481	50	20	DDGD	
O=C(Cc1ccc(F)cc1Cl)NNC(=O)C1CCOCC1	883066019	GROYPFXBYUPBOF-UHFFFAOYSA-N	314.744	1.596	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1cccc2c1CCCC2	782477704	VFHBCPUTQUOOJC-UHFFFAOYSA-N	311.407	1.420	50	20	DDGD	
CC(=NNC(=O)C(=O)NC1CC1)c1cnn(C(C)(C)C)c1C	787152245	SJJBHQFHDYOXEA-UHFFFAOYSA-N	305.382	1.065	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)NC[C@@]1(O)CCSC1	781095862	BJFRNJNUVYQRGZ-KCJUWKMLSA-N	310.257	1.780	50	20	DDGD	
CC1(C(=O)NNc2nnc(-c3ccccn3)s2)CCOCC1	788556038	CZPQLYXVZRPBPD-UHFFFAOYSA-N	319.390	1.860	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@@H]1C[C@]12C(=O)Nc1ccccc12	894254946	KYZJCLOVSMPROI-APPDUMDISA-N	315.373	1.480	50	20	DDGD	
CC(C)CC(=O)NN=C1CCCc2nc(O)c(C(N)=O)cc21	788974913	KWGVHZIZIUMQNR-UHFFFAOYSA-N	304.350	1.089	50	20	DDGD	
CC(C)C1(C(=O)NNC(=O)CCc2ccccc2O)COC1	894370168	SGAOOWOFJGUTNL-UHFFFAOYSA-N	306.362	1.145	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1ccc(-n2cnnc2)cc1	781833700	NVNHQFMGNIPDRJ-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCCCC1)c1nccnc1C	783514268	LOCAUYKLDKBTQM-GFCCVEGCSA-N	303.410	1.747	50	20	DDGD	
CCN(CC)CCC(=O)NN=CC1CCC2(CC1)OCCO2	788703427	FWILAYXFSKRXGO-UHFFFAOYSA-N	311.426	1.754	50	20	DDGD	
Cc1cnc2c(cnn2CC(=O)NNc2nc(C)cc(C)n2)c1	891959800	BYNLXXURQRMCDV-UHFFFAOYSA-N	311.349	1.290	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2cc(F)c(F)c(F)c2)C(=O)O1	896355157	VVFCFYLQUNBJFL-CDUCUWFYSA-N	303.240	1.434	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2C[C@@]23C(=O)Nc2ccccc23)nc(C)n1	895153683	KHQPQPFCFYQJSL-SJCJKPOMSA-N	323.356	1.447	50	20	DDGD	
CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(C=NNC(=O)NCC2CC2)C1	792988673	YFOWTHBTOQRANJ-WBMJQRKESA-N	322.409	1.938	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cnnn1-c1cccc(F)c1	790647977	WJDUHTNNQXZVBC-UHFFFAOYSA-N	319.340	1.604	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CC[C@H](CC(=O)OC)[C@@H]1C	794519877	PCVYAIRNTNGEIF-QJPTWQEYSA-N	314.382	1.119	50	20	DDGD	
CO[C@H]1C[C@@H](NC(=O)NNc2nc3ccccn3n2)C1(C)C	790423277	WYDHPNQCIVPVMU-ZJUUUORDSA-N	304.354	1.169	50	20	DDGD	
Cc1cccnc1NNC(=O)NC[C@@H](C)NC(=O)OC(C)(C)C	793132797	UGFWYELNTHPQMT-LLVKDONJSA-N	323.397	1.929	50	20	DDGD	
O=C(C[C@@H]1CCS(=O)(=O)C1)NNc1ncccc1Cl	1318529121	ODPAEWBPFNJIJM-QMMMGPOBSA-N	303.771	1.003	50	20	DDGD	
Cn1ccc(NNC(=O)CCc2cnn(-c3ccccc3)c2)n1	1324864584	NMMREMYUWQWIHW-UHFFFAOYSA-N	310.361	1.682	50	20	DDGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@@]1(F)CCOC1	1328862631	FYCAOKMTFMWJCQ-COCYGOQVSA-N	324.396	1.869	50	20	DDGD	
Cn1cccc1C(=O)C(=O)NNc1ccc2c(=O)[nH]ccc2c1	1329228252	RZKUNLOSTUJVLY-UHFFFAOYSA-N	310.313	1.193	50	20	DDGD	
C[C@@H](CC(=O)NNc1nncc(N)c1Cl)[C@H]1CCCNC1	1326302816	KREKZHYLNYURRQ-IUCAKERBSA-N	312.805	1.181	50	20	DDGD	
O=C(C[C@@H]1CCS(=O)(=O)C1)NNc1cccc(Cl)n1	1327884834	AIJRWQBXZDDVRW-QMMMGPOBSA-N	303.771	1.003	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)NC/C=C\C1CC1	1325485973	RYDOZLXWJHKUGS-PLNGDYQASA-N	319.361	1.371	50	20	DDGD	
CC[C@H](OC)C(=O)NNC(=O)c1ccc(Br)cc1	1322069177	LIQYNFLCOZUJJA-JTQLQIEISA-N	315.167	1.635	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2c[nH]cc(Cl)c2=O)n1	1256668035	OMZHSKOLBAYVGE-UHFFFAOYSA-N	314.132	1.537	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccnc(OC)c2)nc1	1253718436	KABXSBLANPYAKO-UHFFFAOYSA-N	302.290	1.029	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1cccc(F)c1C	1338667050	OYJVPBQHIKMUAU-UHFFFAOYSA-N	305.309	1.024	50	20	DDGD	
Cc1ccc(O[C@H](C)C(=O)NNc2nncc(N)c2Cl)cc1	1333506595	BDGRPOXQWPXNNK-SECBINFHSA-N	321.768	1.931	50	20	DDGD	
CCNC(=O)N(C)NC(=O)COc1ccc(Cl)c(CC)c1	1337472008	NVCJWUHBBGIVDT-UHFFFAOYSA-N	313.785	1.974	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NC[C@H]1C[C@H]2C=C[C@H]1C2	1335151717	XOYIDTXBUWGQAM-MELADBBJSA-N	317.364	1.911	50	20	DDGD	
Cc1cc(NNC(=O)NCC(=O)N2CCCC2)ccc1Cl	1339795002	BYDGTJOIXMCWSM-UHFFFAOYSA-N	310.785	1.897	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)Cc1ncccn1	1263888085	YAWRVVSXEWZKJA-UHFFFAOYSA-N	307.785	1.801	50	20	DDGD	
Nc1cnnc(NNC(=O)N[C@H](C2CCC2)C2CC2)c1Cl	1344485147	YGPRQSVEGIMZNG-LLVKDONJSA-N	310.789	1.917	50	20	DDGD	
COC(C)(C)CCNC(=O)NNc1cccc(-c2nn[nH]n2)c1	1604995578	LRAXUSZQNKJBJQ-UHFFFAOYSA-N	319.369	1.308	50	20	DDGD	
COc1cc(/C=C(/C#N)C(=O)OC(C)C)ccc1-c1nn[nH]n1	1605205001	FOAGEDXRHXKPLS-WDZFZDKYSA-N	313.317	1.734	50	20	DDGD	
O=C(NCCOC1CCC1)NNc1ccc(F)c(C(=O)O)c1	1601502950	AGYWWXQYGPINTK-UHFFFAOYSA-N	311.313	1.719	50	20	DDGD	
C[C@@](C#N)(CC(=O)O)C(=O)NNc1ccc(C#N)c(Cl)c1	1602782792	ZSBYEKZDTZQISV-ZDUSSCGKSA-N	306.709	1.659	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)ccc1-c1nn[nH]n1	1605652051	CDUGXYYIMPVXLJ-ZWNOBZJWSA-N	314.349	1.050	50	20	DDGD	
CC(C)CC(=O)NN=Cc1c(F)cc(-c2nn[nH]n2)cc1F	1609092524	OSOXJPOPVSJXLT-UHFFFAOYSA-N	308.292	1.641	50	20	DDGD	
O=C(/C=C\c1ccc(C(=O)O)o1)NNc1nc2ccccn2n1	1608286353	RSZKPVJSIYCIPJ-ALCCZGGFSA-N	313.273	1.177	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1ccc(C(=O)O)o1	1601369123	HICJIDYHERSSHH-UHFFFAOYSA-N	306.249	1.121	50	20	DDGD	
CO[C@@](C)(C(=O)O)C(=O)NNc1cc(Cl)cc(Cl)c1	1604463227	CBNYZGJCBRJNGB-LLVKDONJSA-N	307.133	1.926	50	20	DDGD	
C[C@@H](CC(=O)NNc1cccc(F)c1C(=O)O)n1ccnc1	1604068093	JPYKWVJYPIYDEI-VIFPVBQESA-N	306.297	1.815	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNc2ncccc2C(F)(F)F)[nH]1	1602324553	RDELWCYAHSHTFU-UHFFFAOYSA-N	314.223	1.884	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cc(C(=O)O)ccc1Cl	1610261850	RFDKDLXIPBUXOG-YRNVUSSQSA-N	308.721	1.708	50	20	DDGD	
CCCCCOc1ccc(C(=O)NNC(=O)CCCN)cc1	1577435202	TXQFZEVSNZWZMV-UHFFFAOYSA-N	307.394	1.756	50	20	DDGD	
CCCCCC[C@@H](CC)C(=O)NN(C)C(=O)N1CCNCC1	1577426045	FPLLJBLXJWZHOH-CQSZACIVSA-N	312.458	1.971	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNc1ncccc1C(=O)O	1589168572	HZADBSIDYVWZKR-SECBINFHSA-N	319.292	1.830	50	20	DDGD	
CC(=O)Nc1nc(C(=O)NNc2cccc(C(=O)O)c2)cs1	1589223311	QKSPFGWJTPWKLA-UHFFFAOYSA-N	320.330	1.557	50	20	DDGD	
CCC(=O)N1CCCC12CN(C(=O)[C@H](Br)CC)C2	1842636169	IYBLXSTTWUUFAM-SNVBAGLBSA-N	317.227	1.773	50	20	DDGD	
CO[C@@H](C(=O)O)C(=O)Oc1ccc([N+](=O)[O-])c2ncccc12	1593918444	GXMZAECJUAQWSD-NSHDSACASA-N	306.230	1.148	50	20	DDGD	
Cc1oc(-c2nn[nH]n2)cc1C(=O)NNc1cccc(Cl)n1	1592501050	MTKGUKIHGZYWKF-UHFFFAOYSA-N	319.712	1.573	50	20	DDGD	
CC1(C)C[C@@H](NC(=O)NNc2cccc(-c3nn[nH]n3)c2)CO1	1590083237	SBCJFANBXKHZBM-LLVKDONJSA-N	317.353	1.060	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(C(=O)O)c1F)[C@H]1CCCNC1	1593101862	LXSYRWZAMGIHKU-UWVGGRQHSA-N	324.356	1.538	50	20	DDGD	
CC1CCN(C(=O)C(=O)NNc2cccc(F)c2C(=O)O)CC1	1594394916	XUUCQRMGYJFGTJ-UHFFFAOYSA-N	323.324	1.226	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N[C@@H]1CCC[C@H]1CC(=O)O	1590701711	OWKCPIDHGRFLQD-VHSXEESVSA-N	311.831	1.814	50	20	DDGD	
COCC1(CNC(=O)NNc2cccc(C(=O)O)c2)CCC1	1599198979	WFYBUBHOUBLSDS-UHFFFAOYSA-N	307.350	1.828	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@H](C)c1ccc(-c2nn[nH]n2)cc1	1590748269	ATADNFKSQCHEJW-PEHNMLCRSA-N	312.333	1.488	50	20	DDGD	
CSCC(=NNC(=O)C(=O)O)c1ccc(C(F)(F)F)cc1	1599789746	KMGTZMGUSONKSF-UHFFFAOYSA-N	320.292	1.973	50	20	DDGD	
O=C(O)c1ccc(C=NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)cc1O	1776091048	PSWMZURIBIYPHZ-IRUJWGPZSA-N	304.302	1.108	50	20	DDGD	
CN(C)CC(=O)NN=Cc1c(F)ccc2sc(C(=O)O)cc12	1776042259	YHAQSECWXFCDDL-UHFFFAOYSA-N	323.349	1.750	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C(C)(C)C)cnn1C1CCOCC1	162238734	DNIGBFVMBKZELS-UHFFFAOYSA-N	308.382	1.350	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	158887329	QVRXCUOSHUXZFD-SNVBAGLBSA-N	312.341	1.413	50	20	DDGD	
Cc1nn(C)c(C)c1CC(=O)NNc1cnc2ccccc2n1	163565601	UQKIPTZQSSLVPM-UHFFFAOYSA-N	310.361	1.666	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2CSc3ccccc32)[nH]n1	153367124	WENDPTLBGCSKPS-JTQLQIEISA-N	302.359	1.369	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1ncn(-c2ccccc2)n1	157195466	QHYMRAOGGGVZMR-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ncn(-c2ccccc2)n1	155901555	DLVWYUXOQLAMQL-UHFFFAOYSA-N	301.350	1.465	50	20	DDGD	
COCC(=O)N[C@H](C(=O)NNc1c(F)cccc1F)C(C)C	156632588	FAAIDTCJMKBTEL-LBPRGKRZSA-N	315.320	1.195	50	20	DDGD	
C[C@H](O)CN1CCN(C[C@H](CBr)C2CC2)CC1	859119139	WSOCULCZPSHKIS-AAEUAGOBSA-N	305.260	1.406	50	20	DDGD	
COCC[C@@H](C)NC(=O)NNC(=O)c1ccc2ccccc2n1	101611559	MJTDBXVAMJZZQV-LLVKDONJSA-N	316.361	1.604	50	20	DDGD	
O=C(CCC1CCOCC1)NNC(=O)Cc1ccccc1F	173262781	FCMPBLSGUORDKJ-UHFFFAOYSA-N	308.353	1.722	50	20	DDGD	
C=C(Br)CNC(=O)NNc1nc(C)cc(OC)n1	175391056	HSRAHGKUSUXJDY-UHFFFAOYSA-N	316.159	1.328	50	20	DDGD	
C[C@@H]1CC(NC(=O)NNC(=O)Cc2cccnc2)C[C@@H](C)C1	172384105	SMDMAUJQKCKEQV-RYUDHWBXSA-N	304.394	1.779	50	20	DDGD	
CCO[C@H](CC)C(=O)NNC(=O)COc1cc(C)ccc1C	57182079	ZGEHHIWGKQJQBG-CYBMUJFWSA-N	308.378	1.645	50	20	DDGD	
CCc1ncc(NC(=O)C(=O)NNc2c(F)cccc2F)cn1	119787250	GDWXGFTUHIOPIP-UHFFFAOYSA-N	321.287	1.399	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)C2=Cc3ccccc3OC2)c1	103402839	OGAQOVRFLTXOSY-UHFFFAOYSA-N	319.320	1.795	50	20	DDGD	
COCCCNC(=O)NNC(=O)CCOc1cc(C)ccc1C	65208513	QLVURHHRGQMWOV-UHFFFAOYSA-N	323.393	1.439	50	20	DDGD	
CCCc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCCO2)cc1	55590209	OQXDKMBQJLPXNB-ZDUSSCGKSA-N	312.391	1.128	50	20	DDGD	
Cc1oc(-c2cccs2)nc1CC(=O)NNC(=O)NC1CC1	64427845	XQTUTUDGEDHVAA-UHFFFAOYSA-N	320.374	1.747	50	20	DDGD	
O=C(CCCNc1ccc([N+](=O)[O-])cc1)NNc1cccnn1	175365501	NHDXIUNOINWNHU-UHFFFAOYSA-N	316.321	1.720	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NCCn2cccn2)nn1	118581280	VVBVCZSUZCBBDC-UHFFFAOYSA-N	303.370	1.297	50	20	DDGD	
Cc1cc(C)c(CC(=O)NNC(=O)N2CCOCC2)c(C)c1	179884344	NLBHDCZPENLNPN-UHFFFAOYSA-N	305.378	1.227	50	20	DDGD	
COC(=O)[C@@H](NNC(=O)c1cccc(Cl)c1)c1cccnc1	178790815	GGHHLBMGMRLKKT-ZDUSSCGKSA-N	319.748	1.884	50	20	DDGD	
CC[C@@H](OC)C(=O)NNC(=O)c1cc2ccccc2cc1O	66042756	IWJKPDDMUYBRDI-CQSZACIVSA-N	302.330	1.731	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1ccc(NC(C)=O)cc1	68266465	FETLKYFDTNRWKB-UHFFFAOYSA-N	306.366	1.318	50	20	DDGD	
O=C(Cc1csc(-c2ccccn2)n1)NNC(=O)C1CC1	72728503	BVLODUGNYBQHLB-UHFFFAOYSA-N	302.359	1.305	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[nH]n1	186385274	WFLYUXVBCTYGIE-UHFFFAOYSA-N	318.293	1.401	50	20	DDGD	
CN(NC(=O)Cc1nc(-c2ccc(F)cc2)cs1)C(N)=O	185888487	VYPSDOVKUOWKNP-UHFFFAOYSA-N	308.338	1.533	50	20	DDGD	
Cc1ccc(NNC(=O)NCC[C@](C)(O)c2ccccc2)nn1	188813730	ARMVFJKFSKTHDB-INIZCTEOSA-N	315.377	1.709	50	20	DDGD	
CC(=O)NNC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1	31591416	PRRDDXWFRYSIAP-UHFFFAOYSA-N	322.752	1.880	50	20	DDGD	
O=C(CCCCc1c[nH]nn1)NNC(=O)Cc1ccc(F)cc1	182124489	BUQKLYLPVPHVJX-UHFFFAOYSA-N	319.340	1.047	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)Nc1cccnc1	73117548	NYCIRTPSDFURFD-UHFFFAOYSA-N	304.281	1.452	50	20	DDGD	
COc1cc(C)ccc1NC(=O)NNC(=O)Cc1cccnc1	184551095	QWMMQWSUGAZKIU-UHFFFAOYSA-N	314.345	1.794	50	20	DDGD	
O=C(CCCOc1ccc(F)cc1)NNC(=O)NCC1CC1	139354320	RQZPHYOJUOKBRW-UHFFFAOYSA-N	309.341	1.725	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccccc1)Cc1ccc(C#N)cc1	46526398	YTKPEHROICDKMU-UHFFFAOYSA-N	322.368	1.451	50	20	DDGD	
CCC1=C(C(=O)NNC(=O)COc2ccc(C)cc2)CCCO1	190530070	PTKALFUFAITPEF-UHFFFAOYSA-N	318.373	1.996	50	20	DDGD	
C[C@H](CBr)CN(CCC#N)CCN1CCOCC1	133853718	BNMMNPLAXSHOCR-CYBMUJFWSA-N	318.259	1.565	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)C(=O)c2ccccc2)n1	194934194	CAOHBZBDEURILL-UHFFFAOYSA-N	313.361	1.649	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCc2ccsc2)cc1	193321272	KHOPIZMJRISFKV-UHFFFAOYSA-N	319.386	1.966	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1ccc2ccccc2c1)n1cncn1	193713113	HQKUEXCYEGXCEG-GFCCVEGCSA-N	323.356	1.382	50	20	DDGD	
CO[C@H](C)CS(=O)(=O)NNC(=O)c1cccc2ccccc12	193330473	DYAMQDCHZGHPPM-LLVKDONJSA-N	322.386	1.439	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=S)N[C@H](C)C2CC2)c1	263869616	DEPPRRPHZWECRB-SECBINFHSA-N	323.418	1.611	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2ccc(Cl)nc2)CN1C1CC1	267873694	MISZWDHNWRRZIC-ONGXEEELSA-N	309.801	1.986	50	20	DDGD	
CCOCCO[C@@H](C)C(=O)NNc1cc(Cl)nc(C)n1	267105857	PTIYRRZKNFLTOW-QMMMGPOBSA-N	302.762	1.323	50	20	DDGD	
CS(=O)(=O)CCCNC(=O)NNc1c(F)cccc1F	265426008	HCNNFMXMSTZFQG-UHFFFAOYSA-N	307.322	1.026	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)CCO)c1C	269690019	NXTHNUUTDNQPNA-HMHNVIDESA-N	319.405	1.545	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C[C@H]2C=CCC2)cc1	263653580	DPLXAHLTMWUHCD-LBPRGKRZSA-N	301.346	1.437	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)CCC[C@@]1(C)NC(=O)NC1=O	269588385	OVSBAYHFHPPJBZ-OAHLLOKOSA-N	322.340	1.346	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)CC(C)C)c(C)c1C	265320531	VNIFAJZOHQIRMF-UHFFFAOYSA-N	314.407	1.668	50	20	DDGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@H]1CCn2cncc2C1	365665319	BCIWSNJSAAGGCF-VIFPVBQESA-N	319.296	1.636	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccc3c(n2)CCCC3)nn1	278442897	WITGXRWASBYMPT-UHFFFAOYSA-N	312.377	1.885	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCC[C@@H]2CCO[C@@H](C)C2)n1	273043155	FFRTZWHBNBKDLD-NWDGAFQWSA-N	323.397	1.625	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1C1CC1)c1ccc(Cl)cc1O	278679590	KUKJLBMDYKELAY-LBPRGKRZSA-N	323.780	1.433	50	20	DDGD	
COC(=O)N(C)CC(=O)NNc1cc(C(F)(F)F)ccc1F	270007545	QTVSOIKLUZGEDS-UHFFFAOYSA-N	323.246	1.986	50	20	DDGD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)COc1ccc(F)cc1	279726897	VNCISWYFUBKBAO-MNOVXSKESA-N	322.336	1.357	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)C2CCC2)ccc1NC(C)=O	272319875	IHPFKKQSNPRUHS-UHFFFAOYSA-N	320.349	1.606	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](C)Cc1ccc(OC)c(OC)c1	272651405	FMHYKRLCCITENX-NSHDSACASA-N	323.393	1.575	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cccnc1OCC(F)F	270471004	NAMPSDJPYFIJMS-UHFFFAOYSA-N	317.292	1.895	50	20	DDGD	
CNC(=O)c1ccc(Cl)c(NC(=O)NNC(=O)C2CC2)c1	274134557	WDPNIMDSRWGBOO-UHFFFAOYSA-N	310.741	1.262	50	20	DDGD	
CSSCCNC(=O)Cn1c(C)nc2ccccc2c1=O	284286462	ZCNQSOVTDFGKDU-UHFFFAOYSA-N	323.443	1.832	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@@](C)(O)C2CC2)c1C	288454005	TXHDGYQYONMVQB-SJCJKPOMSA-N	320.389	1.379	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2CCc3cnn(C)c3C2)nc(C)n1	281985436	MLICRBVADUOFAW-LLVKDONJSA-N	300.366	1.075	50	20	DDGD	
O=S(=O)(CBr)N1CC(COc2ccccc2)C1	288632618	OCSARJCRKXGEPN-UHFFFAOYSA-N	320.208	1.679	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@@H]1COCCN1CC(F)(F)F	288209558	RHQUWKMBVFPXCN-JTQLQIEISA-N	318.299	1.096	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)Nc2ccc(Cl)cc2)CC1	289321989	XEPHLBHMHBVAQY-UHFFFAOYSA-N	311.773	1.334	50	20	DDGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNC(=O)Cn2nc(C)cc2C)C1	280364447	UVTXIIFROARGFT-ZIAGYGMSSA-N	322.409	1.243	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)N2CCN(C)CC2)c(C)cc1Cl	288088974	VTDSXAYYCKTQES-UHFFFAOYSA-N	324.812	1.559	50	20	DDGD	
C[C@@](O)(C(=O)NNC(=O)NCc1ccc(Cl)cc1)C1CC1	286897131	OYGOPFGZRYELKN-AWEZNQCLSA-N	311.769	1.331	50	20	DDGD	
CN(C)[C@@]1(CNC(=O)NNc2ncccc2F)CCSC1	286564205	FBTGBKYHMGPDCA-CYBMUJFWSA-N	313.402	1.284	50	20	DDGD	
CCCN[C@@H](C)C(=O)NNC(=O)c1ccc2ccccc2n1	294631517	AKNUSKLHRYQGGR-NSHDSACASA-N	300.362	1.384	50	20	DDGD	
CC1(C)CCC[C@H]1CNC(=O)NNC(=O)Cc1ccncc1	297005477	UGONFJAJAGEOQZ-ZDUSSCGKSA-N	304.394	1.781	50	20	DDGD	
C[C@H]1CN(CCOC(=O)/C(C#N)=C\c2ccccc2)CCO1	800216915	HTTASEQWZHBTKP-HNDQUVLASA-N	300.358	1.857	50	20	DDGD	
CC[C@@H](C)N[C@@H](CNC(=O)NNC(=O)C1CCC1)c1ccco1	807441760	NTJHVTRWHYBWSM-YPMHNXCESA-N	322.409	1.839	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)NCCS(=O)(=O)C(C)C	291855977	ONLHMCYXERPQDQ-UHFFFAOYSA-N	317.386	1.583	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C[C@@H]1COc2ccccc2O1	294588014	YKUMKOJZDLWQJE-LLVKDONJSA-N	315.329	1.016	50	20	DDGD	
O=C(CC(=O)NNc1cccc(Cl)n1)NCC(F)(F)F	293661461	JJVUHDWZBSPRMG-UHFFFAOYSA-N	310.663	1.247	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)CCCCF)c(O)c1	295317291	NUTYWAXWADAXBE-UHFFFAOYSA-N	304.343	1.015	50	20	DDGD	
C[C@H]1CCCC[C@@H]1OCC(=O)NNC(=O)N=c1cc[nH]cc1	802028103	JYLBGTBFVYNLOJ-AAEUAGOBSA-N	306.366	1.252	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)[C@@H]1Cc2ccccc21	804956146	BCUYBBIUZPFOKL-CYBMUJFWSA-N	306.329	1.445	50	20	DDGD	
COCCN(C)NC(=O)CCOc1ccc(CCC(C)=O)cc1	297136154	QIJCRPNEWHCJMY-UHFFFAOYSA-N	322.405	1.587	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc2c1OCC(=O)N2	290186329	NYRFMJWICMGNMT-QMMMGPOBSA-N	306.322	1.216	50	20	DDGD	
COc1cccc(CO[C@H](C)C(=O)NNc2ncncc2F)c1	293948333	IWJWBCSXUHTSDJ-SNVBAGLBSA-N	320.324	1.673	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc3cncn3c2)c(O)c1	806527796	PLFLZGZGSFIYPQ-UHFFFAOYSA-N	310.313	1.423	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C#Cc2ccccc2)cc1	802056765	ASMLMVXCVBUNNH-UHFFFAOYSA-N	309.325	1.900	50	20	DDGD	
CC[C@H](C)N[C@@H](CNC(=O)NNC(=O)C1CCC1)c1ccco1	807441757	NTJHVTRWHYBWSM-AAEUAGOBSA-N	322.409	1.839	50	20	DDGD	
COc1cc(C(=O)NNc2ncncc2F)cc(OC)c1O	817078479	GPHLPDUWWVXXTG-UHFFFAOYSA-N	308.269	1.095	50	20	DDGD	
CCc1cnc(C=NNC(=O)CNC(=O)c2ccco2)s1	814826953	OHJMBUWLLCUKKQ-UHFFFAOYSA-N	306.347	1.179	50	20	DDGD	
CC(=NNC(=O)c1cccn1C)c1cn(-c2ccccc2)nn1	814780018	XLSTWZJEGVYJGL-UHFFFAOYSA-N	308.345	1.760	50	20	DDGD	
O=C(CCNC(=O)c1ccco1)NNc1cccc(Cl)n1	817008704	DTTFMSGELQFXEO-UHFFFAOYSA-N	308.725	1.591	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CC[C@H](c2nc[nH]n2)C1	819723666	FBNGDBCQUHBSFE-DTWKUNHWSA-N	315.215	1.930	50	20	DDGD	
Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2)c(F)c1	729666212	XPUPIJSSDQIHLZ-UHFFFAOYSA-N	308.334	1.757	50	20	DDGD	
CCn1nccc1NC(=O)C(=O)NNc1cccc(Cl)n1	815726952	BKHAGQANTDIFOE-UHFFFAOYSA-N	308.729	1.033	50	20	DDGD	
Cn1c(Cl)nc(Cl)c1C=NNC(=O)Cc1cc[nH]n1	814955793	YEWGAOLLFDJOBY-UHFFFAOYSA-N	301.137	1.143	50	20	DDGD	
O=C(Cc1cncc(O)c1)NNC(=O)c1ccc2ccccc2n1	816828235	XIQSBLXOVYPQEH-UHFFFAOYSA-N	322.324	1.339	50	20	DDGD	
CN(NC(=O)COc1ccc(N2CCCC2=O)cc1)C1CC1	819643776	ODHMIHDLVHDOAL-UHFFFAOYSA-N	303.362	1.318	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CSc1nc2ccccc2s1	823988803	XEMWOQXMOONKSE-SECBINFHSA-N	311.432	1.732	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(S(C)(=O)=O)cc2)cc1	729273374	ODUZKVNJDATHFR-UHFFFAOYSA-N	320.370	1.856	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1ccccc1Cn1ccnc1	491133374	PEJIAUDEBDBDGG-FOWTUZBSSA-N	310.357	1.992	50	20	DDGD	
C[C@@]1(C(=O)NNc2ccc(OC(F)(F)F)cc2)CCNC1=O	821158318	JQTHQXMLXNUOSQ-GFCCVEGCSA-N	317.267	1.555	50	20	DDGD	
Cc1ccc([C@@H]2C[C@H]2NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	827258623	BSIVLWOEIAPBKV-PMOUVXMZSA-N	317.389	1.606	50	20	DDGD	
COCCC[C@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	826155623	WIPRIUCGSNPMJY-JTQLQIEISA-N	304.354	1.373	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)C1(C(=O)OC(C)(C)C)CCCCC1	823912141	AFXPSCFKYIIKLV-GFCCVEGCSA-N	314.426	1.622	50	20	DDGD	
CN1CCC[C@@H]2CN(C(=O)/C(C#N)=C/c3cnn(C)c3)CC[C@@H]21	491082752	JWTOVHFXDLMECY-JRODMMCQSA-N	313.405	1.270	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)[C@H]1Cc2cccc(C)c2O1	826981966	BJWKZHOQXQOEEP-MRXNPFEDSA-N	324.380	1.997	50	20	DDGD	
CC(C)NC(=O)NNC(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C	495959129	ZAFJEPIWVMLSBG-UWVGGRQHSA-N	316.402	1.275	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=Cc1ccccc1[N+](=O)[O-]	494434333	KIUDCFHVJYNFKD-UHFFFAOYSA-N	322.321	1.570	50	20	DDGD	
CC(CSC(C)(C)C)=NNC(=O)N[C@H]1CCS(=O)(=O)C1	729637281	JUAOUFLODHBQJT-JTQLQIEISA-N	321.468	1.380	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@H]2CC23CCSCC3)n1	825987397	KOQIUKOKZBKTOE-SNVBAGLBSA-N	307.423	1.519	50	20	DDGD	
CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1cc(B(O)O)ccc1F	585002039	KYKHMOXJNIJDFX-GXTWGEPZSA-N	307.174	1.450	50	20	DDGD	
C[C@@H](C=NNC(=O)c1ccncc1)CNC(=O)OC(C)(C)C	496761920	ZBTMUUQBOUVPAB-LLVKDONJSA-N	306.366	1.958	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21	905618906	QLWXZPLOIPWGCN-BMGDILEWSA-N	322.364	1.755	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)cc1	585039159	OKRGLJMERLMJJB-WJYNOGRTSA-N	317.144	1.680	50	20	DDGD	
COc1ccc(OC(F)(F)F)c(C(=O)NNC(=O)C2CC2)c1	823603004	YVJKITCMHNLSDP-UHFFFAOYSA-N	318.251	1.765	50	20	DDGD	
CC(=NNC(=O)Cc1cc[nH]n1)[C@@H](C)NC(=O)OC(C)(C)C	496156410	SDFUOPRYSSVZSS-SECBINFHSA-N	309.370	1.358	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)C1CC1)C1CN(C(=O)OC(C)(C)C)C1	495508714	CUHDEOVKZBHROH-SECBINFHSA-N	311.382	1.047	50	20	DDGD	
CCC[C@H]1[C@H](C)CCCN1C(=O)c1cc(B(O)O)ccc1F	584953954	ARAJVYZGLUVVPL-ABAIWWIYSA-N	307.174	1.546	50	20	DDGD	
O=C(CCn1cc(Cl)cn1)NNC(=O)Cc1ccccc1F	731328538	QLHWMOKHNKUKCB-UHFFFAOYSA-N	324.743	1.456	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)ncn1	496046774	FQEGJVGUZXVVLV-ZJUUUORDSA-N	307.354	1.141	50	20	DDGD	
CSSCCNC(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1	496168493	IHDRAQFBSKCZSD-BDAKNGLRSA-N	305.425	1.138	50	20	DDGD	
CC(C)n1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)n1	733086263	MAKVQVURTCWXPP-UHFFFAOYSA-N	317.305	1.447	50	20	DDGD	
CCOC(=O)N[C@@H]1CCCN(C(=O)NCCSSC)C1	497115996	MCANOXDWKZIRID-SNVBAGLBSA-N	321.468	1.918	50	20	DDGD	
OB(O)c1ccc(CNC[C@H]2CCCN2CC2CCCCC2)o1	585020316	RZOPCVLXPPTLQA-OAHLLOKOSA-N	320.242	1.094	50	20	DDGD	
CC(C)CO[C@@H](C)c1noc(COc2ccc(B(O)O)cc2)n1	584909541	MKUMLOAPWILIBL-NSHDSACASA-N	320.154	1.062	50	20	DDGD	
COc1cc(OC)cc(C(=O)NN=C(C)Cc2cnccn2)c1	834926455	NDIGNQHZBIHLKD-UHFFFAOYSA-N	314.345	1.842	50	20	DDGD	
CS[C@H]1CCC[C@H](NC(=O)NNC(=O)N=c2cc[nH]cc2)C1	838483863	SZTYPMFMNSBSRK-RYUDHWBXSA-N	323.422	1.513	50	20	DDGD	
C[C@@]1(C(=O)N2CCC3(CC2)OCCCO3)C[C@H]1Br	908432848	JSRJDGMEPHCKJL-ZYHUDNBSSA-N	318.211	1.916	50	20	DDGD	
O=C(NN=Cc1cn(Cc2ccccc2)nn1)[C@H]1CCCCO1	901250245	NYNWEEGKXBDNAO-OAHLLOKOSA-N	313.361	1.346	50	20	DDGD	
CC(C)c1nncn1CCNC(=O)[C@]1(C)C[C@@H]1Br	906745125	GOBKCMUNPUYDSQ-JOYOIKCWSA-N	315.215	1.691	50	20	DDGD	
O=C(O)[C@H](F)CNS(=O)(=O)c1ccc(CCCCl)cc1	837296689	RGUFVLOIJYIEBV-LLVKDONJSA-N	323.773	1.559	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNc1ccc(S(C)(=O)=O)cc1	907096754	HDIKYOYRBHDUQT-KBPBESRZSA-N	324.402	1.514	50	20	DDGD	
CN1CCCC[C@H]1CCOC(=O)/C(C#N)=C\c1cnn(C)c1	837970128	YFGQEQZNFPBHCW-MZLJFPOFSA-N	302.378	1.745	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)c1ccc(Cl)cn1	736075885	AVKLBZTYHANRJW-UHFFFAOYSA-N	321.720	1.281	50	20	DDGD	
O=C(CN1CCc2cccc(Cl)c2C1)NNC(=O)C1CC1	839173288	VALVNDVZDNXRCC-UHFFFAOYSA-N	307.781	1.256	50	20	DDGD	
CCCn1ncc(NC(=O)NN(C)C(=O)NCC)c1C1CC1	836712827	DDCMGUNVZMMVLS-UHFFFAOYSA-N	308.386	1.868	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)CC2(O)CCC2)cc1	831948980	MBQLBSTZZXZVDD-UHFFFAOYSA-N	306.366	1.210	50	20	DDGD	
CCCOc1ccc(Cl)cc1C(=O)N1CC[C@@H](B(O)O)C1	585073332	XKJYAZGPFPJDJX-SNVBAGLBSA-N	311.574	1.818	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)CCc2ccccc2)CCOC1	733352453	UOPCTDGCZPSXSO-MRXNPFEDSA-N	305.378	1.376	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)CC(F)(F)F)cc1O	918078304	BVCAELPEFJEKCE-UHFFFAOYSA-N	321.255	1.184	50	20	DDGD	
CC(=NNC(=O)NCC(F)(F)F)c1ccc(CC(=O)O)cc1	917552764	WSXBAUAVXLEEIS-UHFFFAOYSA-N	317.267	1.899	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1F	837688465	FEEKVQOOBYVBGK-XXILOJSOSA-N	320.320	1.671	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCN[C@@H](C(C)C)C1	831594008	QOZDXELWOIXYGA-CYBMUJFWSA-N	312.845	1.809	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)C1=Cc2ccccc2OC1	918703729	HETMPRTXHABMNM-UHFFFAOYSA-N	300.236	1.562	50	20	DDGD	
CCOC(=O)COCCNC(=O)[C@@H](Br)C(C)(C)C	836823653	YVGOBTMPZUCMDR-SNVBAGLBSA-N	324.215	1.492	50	20	DDGD	
C=CCOc1cccnc1C(=O)NNc1ccc(C(=O)O)cn1	833378931	SAUVRZKJYRALIO-UHFFFAOYSA-N	314.301	1.497	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)C1(NC(=O)OC(C)(C)C)CCCC1	910166352	VQLPOFOBJDTSNF-LLVKDONJSA-N	315.414	1.168	50	20	DDGD	
CN(CC(=O)NNC(=O)C(C)(C)C)c1nc2ccccc2s1	919748137	WVIRVRPHTRNHDI-UHFFFAOYSA-N	320.418	1.926	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)C[C@@H](C)n2ccnc2)cc1F	846248286	DBVRDYVLGDKAGL-SNVBAGLBSA-N	320.324	1.903	50	20	DDGD	
C[C@H](N)[C@H](C)NC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	842001664	ATWBLZWIZOVZBU-WADTYCCJSA-N	308.426	1.269	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@H]1CCCN2CCCC[C@@H]12	847442936	PCRKZMYDLMWNHJ-QWRGUYRKSA-N	324.816	1.773	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)c2ccc(Cl)cc2)CCCNC1	841970659	ONCPAMNFUZGLPJ-OAHLLOKOSA-N	324.812	1.674	50	20	DDGD	
CNCCCNC(=O)NNC(=O)c1cc2c(s1)CCCCC2	841914685	IIQKDDRRVVIYTJ-UHFFFAOYSA-N	324.450	1.571	50	20	DDGD	
O=S(=O)(N[C@@H](CO)CCF)c1ccc(CCCCl)cc1	846015686	WKBXEYYKABDIAO-GFCCVEGCSA-N	323.817	1.857	50	20	DDGD	
Cc1ccc(-c2nn(C)cc2/C=C(/C#N)S(=O)(=O)N(C)C)o1	843270398	ZVIKMWQGFWHSDH-GHXNOFRVSA-N	320.374	1.744	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)[C@@H]2CCCS(=O)(=O)C2)c1	845857168	QKVNHVMLJHNZOQ-SNVBAGLBSA-N	300.355	1.402	50	20	DDGD	
CCCCO[C@H]1C[C@H](NC(=O)NNC(=O)COCC)C1(C)C	748970810	OIRUMXQHHZKGMB-RYUDHWBXSA-N	315.414	1.337	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2ccccc2c1O	843643611	CSLOBFJSFDZFBE-ZYHUDNBSSA-N	314.341	1.731	50	20	DDGD	
C[C@H]1CN(C[C@@H](C)C(=O)NN=Cc2ccccn2)C[C@@H](C)O1	916371903	NLCRHLIQMKZDKG-MCIONIFRSA-N	304.394	1.277	50	20	DDGD	
O=S(=O)(N[C@H](CO)CCF)c1ccc(CCCCl)cc1	846015690	WKBXEYYKABDIAO-LBPRGKRZSA-N	323.817	1.857	50	20	DDGD	
O=C(NC1CCNCC1)[C@@]12CC[C@@H](C[C@@H]1Br)C2	846661671	DVVNRDGOVXCACQ-XHVZSJERSA-N	301.228	1.808	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1cnn(-c2ccccc2Cl)c1	747422646	HEGHEOBXNBSVJP-UHFFFAOYSA-N	307.741	1.442	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=Cc1ccc(C#N)o1	743426337	NJYUQKGNRSBPIS-UHFFFAOYSA-N	307.313	1.960	50	20	DDGD	
CCCN1C(=O)C(=NNC(=O)NCCCOC)c2ccccc21	920833442	OEYZMCOAPWLOHA-UHFFFAOYSA-N	318.377	1.483	50	20	DDGD	
CC(C)[C@@H](N)CNC(=O)NNC(=O)c1cc2c(s1)CCC2	841943796	OUPBITIMGWFTQS-JTQLQIEISA-N	310.423	1.164	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)CNC(=O)c1cccs1)C(C)(C)C	742613992	XILIUPNHAXVHCP-NTMALXAHSA-N	323.418	1.618	50	20	DDGD	
C[C@H](C(=O)NNC(=S)NCCc1cccs1)n1cccn1	920431508	HRYPUYALVSDGHA-SNVBAGLBSA-N	323.447	1.244	50	20	DDGD	
C[C@H](C[S@](C)=O)NC(=O)NNc1c(F)cc(F)cc1F	921925037	OSLLLCPCQZCNGF-ZFFJSCCISA-N	309.313	1.497	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@H]2NCCc3ccccc32)nn1	841993607	AXUBYFGAFMPDOF-CQSZACIVSA-N	312.377	1.298	50	20	DDGD	
CN(C)c1ncnc2c1cc(C(=O)NNc1ccccc1)n2C	747987303	AMBVCYAFMMIWDR-UHFFFAOYSA-N	310.361	1.791	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cn(-c2ccccc2)cn1	844619109	AZLOWUDUZLAQFH-WCQYABFASA-N	314.345	1.058	50	20	DDGD	
O=C1CC[C@H](C(=O)NNC(=O)Cc2ccc3ccccc3c2)C1	844131534	QGOHWLOWGZBNSH-HNNXBMFYSA-N	310.353	1.899	50	20	DDGD	
CC(C)c1cc(Br)ccc1NC(=O)C(=O)NN	841199421	INHLNHUBPBQVLQ-UHFFFAOYSA-N	300.156	1.501	50	20	DDGD	
C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(B(O)O)c1	928377987	BQANZRKQAXSKDH-KDOFPFPSSA-N	323.201	1.775	50	20	DDGD	
C[C@H]1C[C@H]1c1ccc(C=NNC(=O)C(=O)Nc2ccccn2)o1	758381779	RPDKNUHUCJYVRN-CMPLNLGQSA-N	312.329	1.887	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2CCc3nccn3C2)C[C@H]1Br	857385750	LPLFNZAEINDSCV-GIPNMCIBSA-N	312.211	1.735	50	20	DDGD	
CC(C)OCCNC(=O)NNc1ccc([N+](=O)[O-])cc1F	853989381	MKNNMPBXTUUMMN-UHFFFAOYSA-N	300.290	1.785	50	20	DDGD	
C[C@@H]1CCCN(C(=O)/C(C#N)=C/c2cnn(C)c2)[C@H]1CCO	855540640	HRSZCMZFPQCXPB-PUAODOJSSA-N	302.378	1.337	50	20	DDGD	
O=C(NNC(=O)c1c(O)cccc1O)c1ccc2ccccc2n1	756768327	YYWRXFINIBHDOO-UHFFFAOYSA-N	323.308	1.721	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@@H]2CCN2C)c1C	925435731	UKBGCGACRSRVLK-NSHDSACASA-N	306.366	1.112	50	20	DDGD	
COCCCNC(=O)NN=C(C)c1ccc(OCC#N)cc1	920833582	PQADCTRDDIHDBC-UHFFFAOYSA-N	304.350	1.649	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)C1SCCCS1)C1CC1	855095173	JIWOUGOCMMIMTM-ZETCQYMHSA-N	305.494	1.476	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1	756659247	BCVKBQISZCOTMJ-UHFFFAOYSA-N	321.312	1.119	50	20	DDGD	
COC1(CNC(=O)NNc2ccc([N+](=O)[O-])cc2F)CCC1	853971396	XSJXREKOZNZFLH-UHFFFAOYSA-N	312.301	1.929	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C(C)c1cnn(C)c1	920825424	HFFJWXSFYYRYTI-UHFFFAOYSA-N	316.361	1.738	50	20	DDGD	
CONC(=O)CNC(=O)NNc1ccccc1C(F)(F)F	927204344	CFLDHQJVOLWIBT-UHFFFAOYSA-N	306.244	1.009	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)c1	857149172	PWGAJWHALCVLJY-JHJVBQTASA-N	302.378	1.528	50	20	DDGD	
CNC(=S)N(C)NC(=O)/C=C/c1ccc(OC)c(OC)c1	854929867	WASXVQPGVGBVKK-SOFGYWHQSA-N	309.391	1.184	50	20	DDGD	
C[C@]1(CNC(=O)NNC(=O)COCc2ccccc2)CCCO1	755172514	BPZNSYGIADAGTQ-MRXNPFEDSA-N	321.377	1.103	50	20	DDGD	
C[C@H](CC(=O)NNC(=S)N[C@H](C)C1CC1)c1cnn(C)c1	855096224	UNLLWZMCKVYAOL-NXEZZACHSA-N	309.439	1.208	50	20	DDGD	
Cc1nn(C)c2ncc(NC(=O)NNC(=O)C3CCCC3)cc12	755845905	DLNLWXFKIQUXRF-UHFFFAOYSA-N	316.365	1.620	50	20	DDGD	
O=C(NNC(=O)[C@H]1CSCCS1)c1cccc(Cl)n1	857323132	BXNWJVGQJHHFNJ-MRVPVSSYSA-N	317.823	1.345	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)C(C)(C)C)[C@H]1CCCOC1	853407037	CGLQHCNRPJHBIW-ZDUSSCGKSA-N	311.426	1.848	50	20	DDGD	
Cc1nnc(CC(=O)NNc2cc(C(F)(F)F)ccn2)s1	854678467	VCPYYEHFFKVMKU-UHFFFAOYSA-N	317.296	1.946	50	20	DDGD	
C#CCN(CC(=O)NN[C@@H](C)C(F)(F)F)C(=O)OC(C)(C)C	862321705	CHKQTFSRWPXWGJ-VIFPVBQESA-N	323.315	1.428	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CS[C@@H](C)CCO	768395791	LBCCFJKZDNWLIV-LBPRGKRZSA-N	310.419	1.189	50	20	DDGD	
COC(=O)c1coc(/C=C\C(=O)NN[C@H](C)C(F)(F)F)c1	869377349	XFUOVUXURPQXJW-KFOINNEUSA-N	306.240	1.651	50	20	DDGD	
Cc1cccc(NC(=O)NNC(=O)COc2ccccc2F)n1	765265491	MIRRONJWBVUKJT-UHFFFAOYSA-N	318.308	1.761	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc([N+](=O)[O-])cc1F)[C@H]1CCC(=O)N1	862184925	KPQHABCATPUGFA-GMSGAONNSA-N	310.285	1.092	50	20	DDGD	
O=Cc1ccc(CC(=O)NNC(=O)OCC(F)(F)F)cc1	862215699	DJLHIKXQETVXMC-UHFFFAOYSA-N	304.224	1.361	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N[C@H](C)c2cnc(C)s2)n1	868562543	HKGZBNQNVLZAPG-SECBINFHSA-N	319.390	1.860	50	20	DDGD	
Nc1c(Cl)ccc(C(=O)N2CC[C@H](B(O)O)C2)c1Cl	864232325	ZUAUWSWUQYCTPW-LURJTMIESA-N	302.954	1.265	50	20	DDGD	
CN1CC[C@@H](C(=O)NNc2ncc(F)cn2)c2ccccc21	760906955	XIQOAYSJPXZGDC-GFCCVEGCSA-N	301.325	1.683	50	20	DDGD	
CC(=O)Nc1ccc(F)c(C(=O)NN[C@@H](C)C(F)(F)F)c1	862309004	KQTFIAMUWDNFAZ-LURJTMIESA-N	307.247	1.969	50	20	DDGD	
C[C@H]1CCC(=NNC(=O)CNC(=O)c2cccnc2)C[C@H]1C	767384678	IHNQHUIWZRFSCK-NWDGAFQWSA-N	302.378	1.740	50	20	DDGD	
CC1CCN(C[C@@H](C)C(=O)NN=C2CCS(=O)CC2)CC1	761804526	PRMDFMXZQPTWOJ-ILRUXTBWSA-N	313.467	1.369	50	20	DDGD	
CCC[C@H](OCC)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2	861567229	CUCDEBFWNNLNJJ-LBPRGKRZSA-N	323.349	1.773	50	20	DDGD	
CNC(=O)C1(NC(=O)[C@H](Br)C(C)(C)C)CCCC1	767935361	SLHWIHFJCLYOOG-VIFPVBQESA-N	319.243	1.971	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)/C=C/c1ccco1	766661472	CUIZQKFBNOFDBF-CMDGGOBGSA-N	306.343	1.840	50	20	DDGD	
O=C(NN=Cc1cncc(Br)c1)N1CCOCC1	767380510	RWRJVVCBFNCLRL-UHFFFAOYSA-N	313.155	1.220	50	20	DDGD	
CC(C)(C)[C@H](O)C(=O)NNC(=O)c1ccc(Cl)cc1F	765138313	YULJBIQVOVKAKA-SNVBAGLBSA-N	302.733	1.647	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1cncc(Cl)n1	760874777	XDDCNRYTCWYDSD-UHFFFAOYSA-N	306.709	1.674	50	20	DDGD	
COc1ccc(NC(=O)NNC(=S)NCc2ccon2)cc1	764477322	LLARIQFNYFCDIY-UHFFFAOYSA-N	321.362	1.384	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccc(C(N)=O)c(C)c1	764646362	NCPDTLGJDAFMHE-UHFFFAOYSA-N	316.321	1.041	50	20	DDGD	
CCC(C)(C)NC(=S)NNC(=O)COc1ccccc1C#N	774139711	QBXWRESVRLUVBB-UHFFFAOYSA-N	320.418	1.621	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@@H](C)Cc1ccc(OC)cc1	875430757	OIFKONQRSUABCC-NSHDSACASA-N	309.366	1.786	50	20	DDGD	
O=C(NN=Cc1ccc(F)nc1)[C@@H]1COc2ccccc2O1	777422274	XAYGSJOLRAMBTB-ZDUSSCGKSA-N	301.277	1.511	50	20	DDGD	
N#CSCCCNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O	773584718	IHDJKJLTDYSKIA-YUMQZZPRSA-N	309.313	1.164	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cnc(Oc2ccccc2)cn1	773367178	YDLUMYXBBUCWRE-UHFFFAOYSA-N	312.329	1.830	50	20	DDGD	
Cc1c(C#N)cccc1NC(=O)NNC(=O)C1CCNCC1	1118015625	GEOKBXMIXGXSAT-UHFFFAOYSA-N	301.350	1.019	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C[C@H](O)c1cccc(F)c1	772565936	IMYVVZAETFTSKZ-ZDUSSCGKSA-N	305.309	1.049	50	20	DDGD	
Cc1nc(C(C)C)ncc1C(=O)NNc1ccnc(N(C)C)n1	878920927	XWNZCJBMNYQSHA-UHFFFAOYSA-N	315.381	1.521	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@@H](c2cccs2)N(C)C)cc[nH]1	874997843	YNXSEZDCQFNYKC-ZDUSSCGKSA-N	319.434	1.802	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=O)Nc1cccc2cc[nH]c12	776064062	MYLFSIBRBKNWGC-JTQLQIEISA-N	320.349	1.372	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1ccc2cc[nH]c2n1	779516375	XPULZERATNMNFK-UHFFFAOYSA-N	312.304	1.706	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@H](C)c1ccccc1C	772135638	IDEBCJYJXATXRZ-QWHCGFSZSA-N	320.389	1.978	50	20	DDGD	
CN(NC(=O)c1ccccc1OCc1ccncc1)C(N)=O	778418219	KUPPDQPOHWOEBA-UHFFFAOYSA-N	300.318	1.316	50	20	DDGD	
CN(C)c1ccncc1C=NNC(=O)CCc1ccccc1O	776186565	ONDYSFLWKJWAQE-UHFFFAOYSA-N	312.373	1.936	50	20	DDGD	
O=C(NNc1ccnc(Br)c1)c1cnns1	771535550	SPRYKOIQZKEULA-UHFFFAOYSA-N	300.141	1.453	50	20	DDGD	
CC(C)Oc1cc(NC(=O)NNC(=O)c2cnccn2)ccn1	779930793	WOMJXNWSUIKJNI-UHFFFAOYSA-N	316.321	1.125	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1cc(F)c(F)cc1F	883067227	ZXESEDSBAIYHGW-UHFFFAOYSA-N	302.252	1.292	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@H]1C[C@H]1C1CCCCC1	883459493	ZGSICAFSFYRNHN-KBPBESRZSA-N	309.410	1.712	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cnc(O)c2ccccc12	787996469	VGQWYNJYFGKETR-UHFFFAOYSA-N	313.235	1.654	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)c2cc(F)ccc2C)nc(C)n1	782118264	TXPCFYRMJMUUEK-UHFFFAOYSA-N	302.309	1.867	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H]2c3c[nH]nc3CC[C@H]2C)c1	880826234	MCSXZURAOVIDRZ-RNCFNFMXSA-N	318.402	1.907	50	20	DDGD	
N#C/C(=C\c1cnn(Cc2ccccc2)c1Cl)S(N)(=O)=O	789160836	YVGQSDLIAYBWRE-WUXMJOGZSA-N	322.777	1.738	50	20	DDGD	
CO[C@@]1(C(=O)NNC(=O)Cc2ccccc2C)CCSC1	889539831	MWJREWVTPRUSPT-HNNXBMFYSA-N	308.403	1.207	50	20	DDGD	
OC1(Cc2cn(/C=C/CBr)nn2)CCOCC1	881294687	AACBASJNHZRHOL-ORCRQEGFSA-N	302.172	1.228	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cnn(C3CCC3)c2)n1	895275945	MCSRRCQCKMBFDN-UHFFFAOYSA-N	301.354	1.221	50	20	DDGD	
O=C(NNc1nnc(-c2ccccn2)s1)[C@@H]1C[C@@]12CCOC2	788563841	TUQCDGJRSYXVFG-LKFCYVNXSA-N	317.374	1.470	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1)[C@@H]1CCCO1	783817725	XPXBKGPCHIPEQY-CXTNEJHOSA-N	311.426	1.403	50	20	DDGD	
Cc1ncccc1NC(=O)C(=O)NNc1ncccc1Cl	784814846	OQDZQDKEAGQQOI-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cc(F)cc2nc[nH]c12	781823541	JUGQMLMJPIRVGE-UHFFFAOYSA-N	306.688	1.902	50	20	DDGD	
CN(CC1CC1)C[C@@H]1CCN(S(=O)(=O)CCCCCl)C1	780805361	UIYVISXOAGOQNT-AWEZNQCLSA-N	322.902	1.999	50	20	DDGD	
COc1cc(NNC(=O)NOC[C@H]2CCOC2)ccc1Cl	789225672	FDZPCEOAKZEUFM-VIFPVBQESA-N	315.757	1.943	50	20	DDGD	
CC(=O)Nc1nc(C(=O)NNc2ncncc2Cl)cs1	781837306	ZCRCXWYEYMZJLJ-UHFFFAOYSA-N	312.742	1.302	50	20	DDGD	
C#C[C@@H](CCC)NC(=O)NNC(=O)c1cc2c(s1)CCC2	791067496	QGRPEPFMRNFFJA-NSHDSACASA-N	305.403	1.983	50	20	DDGD	
CC[C@H]1CCC[C@H]1NCC(=O)NNC(=O)c1cccc(C)c1	794576419	UQQNVTVUYWUCLR-DZGCQCFKSA-N	303.406	1.924	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CCc2cnccn2)c1	798123906	BWGKSJOPDWSZGI-UHFFFAOYSA-N	315.402	1.735	50	20	DDGD	
O=C(CNC(=O)c1cccnc1)NN=C1CCC2(CC1)CC2	792635971	ZFOGVGOYFDOMPB-UHFFFAOYSA-N	300.362	1.638	50	20	DDGD	
COc1cc(NNC(=O)CN2CCSC2=O)ccc1Cl	790180074	NQSXXXJDVMXUNM-UHFFFAOYSA-N	315.782	1.961	50	20	DDGD	
COCc1cc(C=NNC(=O)[C@@H](C)CN2CCCCCC2)no1	794888471	QSCWETOXUJCMHT-ZDUSSCGKSA-N	322.409	1.783	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1cccc(N2CCC2=O)c1	794904147	XCOHLKLGKYBTNE-UHFFFAOYSA-N	316.361	1.189	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)C1(C(=O)NC2CC2)CC1	798311565	CUXLSRFGFSURIK-UHFFFAOYSA-N	316.361	1.207	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1cccn1C	795182366	UQNZIOUVXJXSJB-UHFFFAOYSA-N	322.390	1.032	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)c1ccc(CO)cc1	1317698341	LVOCXWCGPNBCBL-UHFFFAOYSA-N	304.733	1.907	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1c[nH]c(Br)c1	1318589750	QDMHLSQTVDVLON-UHFFFAOYSA-N	316.546	1.978	50	20	DDGD	
CNC(=O)/C(C#N)=C\c1ccc(N2CCN(C)CC2)c(F)c1	1248747623	URVGHHXRYMQDSB-LCYFTJDESA-N	302.353	1.230	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H](N)Cc2ccccc2)C[C@@H]1Br	1328505788	MNQGUDNQDCGNKW-SGMGOOAPSA-N	311.223	1.846	50	20	DDGD	
C[C@@H](NNC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(F)(F)F	1331882855	HKRXEBIAOCOBGU-AZTPSJGOSA-N	306.328	1.889	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cc2c(cc1Cl)NC(=O)C2	1330315133	UCNAESMIIXRLAH-UHFFFAOYSA-N	324.768	1.579	50	20	DDGD	
C[C@H]1CCCC[C@@H]1OCC(=O)NNc1nncc(N)c1Cl	1333508199	METSAAYFJVDEKO-WPRPVWTQSA-N	313.789	1.751	50	20	DDGD	
CC[C@H](C)n1nccc1C(=O)NNC(=O)c1ccc(C#N)cc1	1347528653	OQIQOFHKICNQQK-NSHDSACASA-N	311.345	1.801	50	20	DDGD	
CC[C@@H](C)n1nccc1C(=O)NNc1nc(C)cc(OC)n1	1351512738	MLDFTJNRFQRZCQ-SNVBAGLBSA-N	304.354	1.718	50	20	DDGD	
O=C(CN1CCC(CO)CC1)NNc1cc(F)c(F)c(F)c1	1353620096	IFZLBERWOBFIEU-UHFFFAOYSA-N	317.311	1.251	50	20	DDGD	
O=C(O)CNC(=O)CNC(=O)CCCC[C@H]1CCSS1	1602068917	DQMSIXUWQUBFQA-VIFPVBQESA-N	320.436	1.018	50	20	DDGD	
Cc1nccn1CCCNC(=O)NNc1cccc(C(=O)O)c1	1607989279	DMBCTWCUCFNDAF-UHFFFAOYSA-N	317.349	1.606	50	20	DDGD	
O=C(NNc1cccc(F)c1)C(=O)Nc1cc(C(=O)O)cs1	1601560406	DWAZZRZNKXNJEF-UHFFFAOYSA-N	323.305	1.667	50	20	DDGD	
Cc1cc(C)c(CC(=O)NNc2ccccc2C(=O)O)c(O)n1	1600159793	DDDWSMAPOUWDAL-UHFFFAOYSA-N	315.329	1.788	50	20	DDGD	
CN(NC(=O)C(C)(C)c1cc(F)cc(-c2nn[nH]n2)c1)C1CC1	1604826970	QGZVNZRYIXMDNW-UHFFFAOYSA-N	318.356	1.409	50	20	DDGD	
CO[C@H](C(=O)NNc1cccc(F)c1C(=O)O)[C@@H]1CCOC1	1606650789	NWSFTANNGHWDKJ-PELKAZGASA-N	312.297	1.019	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)C(=O)O)c2[nH]c(C)c(C)c2c1	1600202146	UQIBDBHSZUIYQD-UHFFFAOYSA-N	318.333	1.008	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccc(O)cc2O)c(F)c1	1602382860	GSOCTXAYFUGBLD-UHFFFAOYSA-N	306.249	1.692	50	20	DDGD	
O=C(NC[C@H]1CCCCCN1)NNc1cccc(C(=O)O)c1F	1601487216	YTXVTODSFXIUCX-SNVBAGLBSA-N	324.356	1.682	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc(F)n2)cc1C(=O)O	1607732157	SANKDGTZIISTKA-UHFFFAOYSA-N	317.276	1.302	50	20	DDGD	
O=C(C[C@@H](O)Cc1ccccc1)NNc1cccc(C(=O)O)c1	1601242255	HBWPDSINYARDAW-HNNXBMFYSA-N	314.341	1.822	50	20	DDGD	
O=C(O)C(=O)NN=Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-]	1610714116	HVNMHQMXMVATER-UHFFFAOYSA-N	306.061	1.436	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2n[nH]c3c2CCCC3)nc1	1610835658	QWUGRABGMYJKQU-UHFFFAOYSA-N	301.306	1.139	50	20	DDGD	
CSC[C@@H](C)NC(=O)NNc1cccc(C(=O)O)c1F	1610382794	QKBQHVIJUUUCHO-SSDOTTSWSA-N	301.343	1.902	50	20	DDGD	
CCC(=O)N1CCCC2(CCN(C(=O)[C@@H](O)CCl)CC2)C1	1809055579	FBXPGJUQADQHQW-LBPRGKRZSA-N	316.829	1.227	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@@H]1C(=O)NN=CCC(F)(F)F	1549315014	KGTHJMBKIVFNNH-UWVGGRQHSA-N	318.299	1.942	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@H](F)[C@@H]1CCNC1)c1ccccc1	1575092636	SIJZDGIPFQQUQT-DGCLKSJQSA-N	307.369	1.059	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CCCCCN	1576295385	MZCDDYDEEWHDTB-NSHDSACASA-N	311.357	1.260	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]c1=S)[C@@H]1CSCN1	1580743368	ZHAMKALBJADPHX-VIFPVBQESA-N	307.404	1.398	50	20	DDGD	
NC[C@@H](NC(=O)NNc1cc(Cl)ccc1F)C(F)(F)F	1580222205	OSMQONCVCPBLGJ-MRVPVSSYSA-N	314.670	1.995	50	20	DDGD	
CC1=NO[C@](C)(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)C1	1594119294	PDKOHTCGUBRTJI-ZDUSSCGKSA-N	308.246	1.753	50	20	DDGD	
CC1(C)CCC[C@H]1NC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1590095296	QCUVNDQMXPFPBF-SNVBAGLBSA-N	316.369	1.467	50	20	DDGD	
O=C(O)[C@H](C(=O)NNc1nc2ccccn2n1)C1CCCC1	1594836232	QKJFLHAKQQNRSJ-NSHDSACASA-N	303.322	1.063	50	20	DDGD	
O=C(c1cnoc1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843363736	WEJQISQRPWOTBZ-SECBINFHSA-N	301.705	1.026	50	20	DDGD	
CO[C@H]1CC[C@@H](NC(=O)NNc2ccc(CC(=O)O)cc2)C1	1599102372	KXQNGDFSOMIGIO-OLZOCXBDSA-N	307.350	1.507	50	20	DDGD	
CNc1ncccc1C(=O)NNc1ccc(C(=O)O)cc1F	1598680917	ALDVLZSRNWAVEH-UHFFFAOYSA-N	304.281	1.718	50	20	DDGD	
O=C(O)c1ccc(C(=O)NN=Cc2cc(F)ccc2O)cc1	1776099919	HQQSJBYIFIUFGT-UHFFFAOYSA-N	302.261	1.993	50	20	DDGD	
CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](Cl)CC)C2)C1	1781213241	HFPOEDZEHCMYHU-RISCZKNCSA-N	302.802	1.244	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2cc(C)n[nH]2)c1	5818235	OOLLOSXJSNCMLS-UHFFFAOYSA-N	302.334	1.175	50	20	DDGD	
C[C@H]1C[C@H]1C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1	5694179	VZBVYHNQPMVDDI-GZMMTYOYSA-N	310.737	1.300	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cnn(C)c2)cnn1C1CCCC1	161251510	ZFEQMBGOJTZZNP-UHFFFAOYSA-N	316.365	1.115	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1cccc(CCC(F)(F)F)c1	161284739	SPYJDLVSTBHUTN-UHFFFAOYSA-N	317.267	1.287	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1cccc(C#Cc2ccccn2)c1	156037029	VTURMUQKEADZBC-UHFFFAOYSA-N	324.340	1.017	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCc2ncccc2F)cc(C#N)n1C	157026960	QCLSXJJHXHIQDY-MLPAPPSSSA-N	323.331	1.963	50	20	DDGD	
O=C(CSc1nnnn1C1CCCC1)NNc1ccccn1	155919082	RBNQZOZZWNIIGF-UHFFFAOYSA-N	319.394	1.419	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	156684371	JOVYDOTZEODLCK-FZMZJTMJSA-N	306.362	1.343	50	20	DDGD	
CCCCNC(=S)NNC(=O)c1cc(Br)c[nH]1	7378049	AIGDNXVBFMOMMY-UHFFFAOYSA-N	319.228	1.686	50	20	DDGD	
CCOC(=O)NNC(=O)c1ccc(CSc2ncn[nH]2)cc1	55199995	KUTQQUUPTKTHAD-UHFFFAOYSA-N	321.362	1.488	50	20	DDGD	
Cc1ccccc1C(C)(C)C(=O)NNc1ccc(C(N)=O)nn1	178541698	PPIXHASCEIMTEF-UHFFFAOYSA-N	313.361	1.305	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NNc1nccnc1Cl	114897516	KKMDLIDGWPOTKD-UHFFFAOYSA-N	303.709	1.524	50	20	DDGD	
CN(C)CCN1CCC(NC(=O)NNc2ccccc2)CC1	114923120	KDDOAUUJAZCIOE-UHFFFAOYSA-N	305.426	1.339	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Cc2cccc([N+](=O)[O-])c2)n1	173024047	KMTRPRNUXDAIIG-UHFFFAOYSA-N	301.306	1.687	50	20	DDGD	
CCCc1[nH]nc(C(=O)NNc2nc(C)cc(C)n2)c1[N+](=O)[O-]	69442965	VLNIRAZYJWRNRR-UHFFFAOYSA-N	319.325	1.434	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cnn1C	25484719	TYWKCJULUITSGP-SNVBAGLBSA-N	320.324	1.096	50	20	DDGD	
COc1ncnc(OC)c1C(=O)NNc1c(F)cccc1F	178959532	DCGQNMZFIUPDSF-UHFFFAOYSA-N	310.260	1.529	50	20	DDGD	
COC[C@@H]1CN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)CCO1	177293707	PKNKFNQEDAZLCV-ULIPXBITSA-N	303.318	1.806	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NC2CCN(CC(C)C)CC2)o1	177269989	ITVCJLAVKFYQSS-UHFFFAOYSA-N	322.409	1.652	50	20	DDGD	
Cc1nn(C)c(C)c1CC(=O)NNC(=O)Cc1ccc(F)cc1	29709254	PGGFWIRVIQVBAF-UHFFFAOYSA-N	318.352	1.109	50	20	DDGD	
COc1ccc(F)cc1C(=O)NNC(=O)Cc1ccccc1F	66785013	ZYDXKEHGHLZVSS-UHFFFAOYSA-N	320.295	1.977	50	20	DDGD	
COC[C@H](NC(=O)NNc1cncc(Cl)n1)c1ccco1	175739485	FTLSKYRSCIRWHM-QMMMGPOBSA-N	311.729	1.737	50	20	DDGD	
CCS[C@H](C(=O)NNC(=O)NCC(F)(F)F)C(C)C	67193580	IBPRHWYFNPZMJF-ZETCQYMHSA-N	301.334	1.657	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)n1C	112930604	AUXVAEXVQFVTIF-UHFFFAOYSA-N	323.356	1.594	50	20	DDGD	
O=C(CN1CCOCC1)NNc1c(Cl)cc(F)cc1Cl	126100970	NQYXYVJYKPTLSH-UHFFFAOYSA-N	322.167	1.908	50	20	DDGD	
O=C(COc1ccc2ccc(=O)oc2c1)NNc1ncccn1	123949020	XDXALXSFZZWEAV-UHFFFAOYSA-N	312.285	1.105	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2cncc(F)c2)cc1	129224845	IVKBZJAVKZNKSD-UHFFFAOYSA-N	318.308	1.102	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1cccc(OC(F)(F)F)c1	124233902	FEAUOUBPJLJELE-UHFFFAOYSA-N	313.235	1.988	50	20	DDGD	
COc1cc(NC(=O)C(=O)NNc2ccccn2)ccc1F	187506117	PWWQFZQZQVECPW-UHFFFAOYSA-N	304.281	1.311	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)Cc1cc(Cl)cn1C	120286836	CNVUUTDZNUAXJE-SECBINFHSA-N	300.790	1.056	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](Cc1ccccc1)C(C)C	121657880	QUCQOZBDGINMQK-AWEZNQCLSA-N	314.389	1.994	50	20	DDGD	
C[C@H](C(=O)NC1CC1)N1CCN(/C(=C/C#N)c2ccccc2)CC1	78670131	KFQIFPSYGLMFDL-QANDDYDISA-N	324.428	1.836	50	20	DDGD	
O=C(NNc1ccncc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1	180537181	CJVWLIUGVFNLCH-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H](C)c2cnn(C)c2C)n1	47007624	LSRVXWSAKZFULM-SNVBAGLBSA-N	303.370	1.523	50	20	DDGD	
CC(C)Cc1nnc(NC(=O)NNC(=O)c2cccnc2)s1	182867715	SIPBWGSZZMRMRG-UHFFFAOYSA-N	320.378	1.598	50	20	DDGD	
Cc1cccc([C@H](C)C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c1	131683270	VTVMFCSAIOXYKH-DZGCQCFKSA-N	324.446	1.591	50	20	DDGD	
Cc1ccc(F)c(NNC(=O)CC(=O)NCC(F)(F)F)c1	182146500	ZOZWQHPTNRQTQS-UHFFFAOYSA-N	307.247	1.646	50	20	DDGD	
Cc1ccc(C)c([C@H]2CCCN2CC(=O)NNC(=O)C2CC2)c1	133601758	VKLOJXUBUCIUBH-MRXNPFEDSA-N	315.417	1.998	50	20	DDGD	
O=C(C[C@H]1CCCCO1)NNC(=O)c1cccc([N+](=O)[O-])c1	132673525	WKLMXGRTEAFQBH-GFCCVEGCSA-N	307.306	1.315	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccc(C[S@](C)=O)c2)o1	84291320	DEPUZXKIIMHLJJ-JOCHJYFZSA-N	320.370	1.541	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)C2CCN(C3CC3)CC2)cc1	195291490	FMVUPSGTNBBVKC-UHFFFAOYSA-N	315.417	1.884	50	20	DDGD	
CCC(=O)N1CC[C@@H](C(=O)NNC(=O)Nc2ccccc2C)C1	133364432	QCHOWBHXYMFZCB-GFCCVEGCSA-N	318.377	1.406	50	20	DDGD	
CC(C)(C)O[C@H](C(=O)NNC(=O)[C@@H]1CCCO1)c1ccccc1	130667925	JSZIAZQHHYSKHX-KBPBESRZSA-N	320.389	1.869	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1	195210854	CAZZCSHKIRZPAN-CQSZACIVSA-N	321.421	1.363	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cccc(F)c1Cl	80032871	GODTWFAQRBRJTL-UHFFFAOYSA-N	307.712	1.878	50	20	DDGD	
CON=Cc1ccc(C(=O)NNC(=O)Cc2cccnc2)cc1	255281128	AEAGZSVSWCKSGX-UHFFFAOYSA-N	312.329	1.066	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC(c2cccc(F)c2)=NO1)C1CCC1	264757831	MFDDQEHPAWCTAS-CYBMUJFWSA-N	305.309	1.266	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)C(=O)NNC(=O)c1ccccc1F	264602514	FAHHJOQIYHFNRE-QMMMGPOBSA-N	304.325	1.730	50	20	DDGD	
COC(=O)CCCNC(=O)NNc1ccc(OC(F)F)cc1	263740922	DIVIKBAYARBKKJ-UHFFFAOYSA-N	317.292	1.867	50	20	DDGD	
CC[C@@H](C)Oc1ccc(C(=O)NNC(=O)C(=O)NC(C)C)cc1	267485062	UZJARTAFNXRSCA-LLVKDONJSA-N	321.377	1.150	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)CC1CCOCC1	265336626	NVQIQQYBOAIUKO-UHFFFAOYSA-N	321.377	1.071	50	20	DDGD	
O=C(NNC(=O)C1CC1)C(=O)Nc1cc(Cl)ccc1Cl	274016961	DHGKGHYNGNGNOQ-UHFFFAOYSA-N	316.144	1.489	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2c[nH]c(C)n2)c1	270081666	LKPYDXOPDBQXSJ-UHFFFAOYSA-N	302.334	1.175	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NO[C@H]2CCCCO2)cc1	275138702	PQDAZZBPYHCTBQ-ZDUSSCGKSA-N	307.350	1.651	50	20	DDGD	
O=C(CC1CC1)NNC(=O)C(=O)Nc1cccc(C(F)F)c1	274100109	WJSHELRAVYVHST-UHFFFAOYSA-N	311.288	1.510	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNc2nc(-c3ccccc3)no2)CCO1	271842258	IALKHJLWSNGBKI-PWSUYJOCSA-N	302.334	1.995	50	20	DDGD	
C[C@@H](NC(=O)NNc1c(F)cccc1Cl)c1ncnn1C	276877665	KAVHCHPVSDFVEN-SSDOTTSWSA-N	312.736	1.995	50	20	DDGD	
COc1nccnc1NNC(=O)c1cc(COC(C)(C)C)on1	274663693	QKVLHENHDUNNAA-UHFFFAOYSA-N	321.337	1.545	50	20	DDGD	
COc1ccc(S(=O)(=O)NNC(=O)OC(C)(C)C)cc1C	274113076	WJANBWWTMBYWQX-UHFFFAOYSA-N	316.379	1.722	50	20	DDGD	
CCC(C)(C)N[C@H](C)C(=O)NNC(=O)c1ccc(C#N)cc1	274647073	GMKPUYCEQHDKNR-LLVKDONJSA-N	302.378	1.486	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1	274029418	CGHUMBZWKDVYLH-QMMMGPOBSA-N	322.321	1.035	50	20	DDGD	
Cc1c(NNC(=O)[C@H]2CCCCC(=O)N2)cccc1[N+](=O)[O-]	279420265	JPGSGVRLCWKUOP-LLVKDONJSA-N	306.322	1.405	50	20	DDGD	
CCOC(=O)c1ccc(NC(=O)CN2CC=C(C#N)CC2)cc1	272718986	ZAJHVPAFWPVKON-UHFFFAOYSA-N	313.357	1.957	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CN1CCC(C)CC1	281397449	YLFDVMAMKUVXIO-UHFFFAOYSA-N	304.394	1.880	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)COc1cc(C)cc(C)c1	280631385	UOVXSNYPZIYQBV-INIZCTEOSA-N	308.378	1.645	50	20	DDGD	
C#CCN1CCC(C(=O)NNC(=O)Nc2ccccc2C)CC1	281228173	MQQARAIWVCPYAF-UHFFFAOYSA-N	314.389	1.493	50	20	DDGD	
O=C(CN1CCSC1=O)NNc1cccc(F)c1[N+](=O)[O-]	280431503	JFEPUEGQWJDBHB-UHFFFAOYSA-N	314.298	1.346	50	20	DDGD	
Cc1ccc2c(c1)CC[C@@H](C(=O)NNc1nc3ccccn3n1)O2	373591410	FJBMAUHBDQALRO-AWEZNQCLSA-N	323.356	1.875	50	20	DDGD	
COC1(C(=O)NNc2ccc3ccccc3n2)CCOCC1	285567149	JORINJVEAPEFNJ-UHFFFAOYSA-N	301.346	1.874	50	20	DDGD	
CNc1nc(C)cc(C(=O)NNc2cc(Cl)nc(C)n2)n1	288902524	SSISUSGRNUUFBO-UHFFFAOYSA-N	307.745	1.335	50	20	DDGD	
COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NNc2nnc[nH]2)c1	293935164	NWCPJITYKWSYQL-KOLCDFICSA-N	303.322	1.069	50	20	DDGD	
C[C@H]1CCCN(c2cc(C(=O)NNc3ccncn3)ccn2)C1	295438351	KBUQTOJRUWJEKF-LBPRGKRZSA-N	312.377	1.865	50	20	DDGD	
O=C(NCCCOC(F)F)NNC(=O)c1ccccc1F	801058055	BMUWNLOKHZRBAF-UHFFFAOYSA-N	305.256	1.399	50	20	DDGD	
Cc1ccc([C@H](C)C(=O)NNc2ccc(-n3ccnc3)nn2)o1	804953834	GRPOUFPTXUGIPN-NSHDSACASA-N	312.333	1.811	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)N[C@H]1CCCc2occc21	296693665	YNAOZBBTUPCVRA-WCQYABFASA-N	307.350	1.557	50	20	DDGD	
CCc1nc(C)c(CNC(=O)NNc2ccc(Cl)nn2)o1	293330606	FZHTVLOYITZWIV-UHFFFAOYSA-N	310.745	1.815	50	20	DDGD	
C[C@H]1CSC[C@H]1NC(=O)NNC(=O)c1cccc(N(C)C)c1	805788170	AWIGIWYZVAHVAU-GXFFZTMASA-N	322.434	1.448	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NNc1cccc(F)n1	804768144	PMHCLIBECCAOAP-LKFCYVNXSA-N	303.293	1.892	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2cnc3[nH]c(O)nc3c2)c1	809718876	QPBDHPFIHJHGNQ-UHFFFAOYSA-N	317.280	1.568	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cccnc1N1CCCC1	299215496	GZPGJOMHJWIEDD-UHFFFAOYSA-N	305.382	1.881	50	20	DDGD	
CC(C)[C@H](O)C(=O)NNC(=O)c1c(Cl)cccc1Cl	291402907	BLCDYIWQEYNTQG-JTQLQIEISA-N	305.161	1.771	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc3oc(O)nc3c2)n1	807214446	ZDIPUPBNGZZSRF-UHFFFAOYSA-N	300.274	1.694	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)c1cc(F)cc2nn[nH]c12	800555289	UXXOIKJYSZTOQA-UHFFFAOYSA-N	315.312	1.767	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)CCOc1ccccc1	808045601	NXKKJUJELJVAKF-UHFFFAOYSA-N	324.377	1.392	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)Cc2nc[nH]c2C)cc1	292665353	LRTLNZMWJZPURJ-UHFFFAOYSA-N	316.361	1.049	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)c2conc2C2CC2)n1	290579383	SKLZXPCGXLSVJH-UHFFFAOYSA-N	316.365	1.945	50	20	DDGD	
CC(C)NC(=O)/C(C#N)=C/c1cccc(O[C@@H](C)C(=O)O)c1	299306530	FAUCUYYKUYSGES-DELQEKLWSA-N	302.330	1.970	50	20	DDGD	
CCSc1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)ccn1	295280603	COPPMKPJYQTRLU-NSHDSACASA-N	309.391	1.524	50	20	DDGD	
CCCNC(=O)COC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	809301644	UITHXDCSMGBNAA-MLPAPPSSSA-N	314.345	1.182	50	20	DDGD	
Cc1ccc2c(c1)nc(CNC(=O)NNc1cccnn1)n2C	802321777	OSJQRHYGODUBFF-UHFFFAOYSA-N	311.349	1.498	50	20	DDGD	
Cc1c(F)cccc1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	817243760	NJSNQJGVPCIOTK-NSHDSACASA-N	324.352	1.873	50	20	DDGD	
COCCOCc1ccc(CNC(=O)NNC(=O)C(C)C)cc1	812917983	LQCNLBJYOAOZFW-UHFFFAOYSA-N	323.393	1.336	50	20	DDGD	
CCCN1C[C@H](CNC(=O)NNc2cccc(F)n2)CC1=O	817172958	KICGUUWMXWJTTL-JTQLQIEISA-N	309.345	1.105	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNC(=S)NC(C)(C)C)cc1	810551355	UMNMBLRGROCIKR-UHFFFAOYSA-N	323.418	1.771	50	20	DDGD	
CCCN1C[C@H](CNC(=O)NNc2cccc(C#N)c2)CC1=O	817787797	LGISRSLFDYTHFY-ZDUSSCGKSA-N	315.377	1.443	50	20	DDGD	
O=C(NNC(=O)c1nc(Cl)sc1Cl)c1cccnc1	816817401	AUJQEOWWQFUNRK-UHFFFAOYSA-N	317.157	1.920	50	20	DDGD	
CC(=NNC(=O)Cn1cnc2ccccc21)c1cc(CO)on1	812223422	AMNUVXPLIWPSKG-UHFFFAOYSA-N	313.317	1.057	50	20	DDGD	
CCn1nc(C(=O)NN=C(C)c2cc[nH]n2)c2ccccc2c1=O	814739501	RWUKEQNXBQFNOG-UHFFFAOYSA-N	324.344	1.294	50	20	DDGD	
C[C@H]1CN(C(=O)NNC(=O)c2cccc(C#N)c2)CC(C)(C)O1	728952730	BGUMBQUHDGAFRZ-NSHDSACASA-N	316.361	1.412	50	20	DDGD	
CN(CCO)c1ccc(C=NNC(=O)c2cccc(C#N)c2)cc1	728781285	JNYGPSKAAWDVBX-UHFFFAOYSA-N	322.368	1.751	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2scnc2C)cc1	728204760	NSDUJVQJYWOWPJ-UHFFFAOYSA-N	304.375	1.633	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1cc(Br)ccc1O	814954947	QSKWSWPVLIDKQE-UHFFFAOYSA-N	323.150	1.571	50	20	DDGD	
COc1ccc(C=NNC(=O)CN(C)C)cc1OC(F)F	727649605	NRFKKVBQVACKOM-UHFFFAOYSA-N	301.293	1.308	50	20	DDGD	
CC(C)(CN1CCOCC1)C(=O)NNc1cccc(Cl)n1	823106664	MLOQFPAWVMQLJN-UHFFFAOYSA-N	312.801	1.537	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)/C=C/c2ccc[nH]2)cc1	492891118	FGDVBVIOUFEAJA-YRNVUSSQSA-N	313.357	1.817	50	20	DDGD	
CCN(CCO)NC(=O)COc1cccc(Br)c1	823828882	JQVJUGABAHPTSJ-UHFFFAOYSA-N	317.183	1.173	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1cccc(CN2CCCCC2)c1	823918657	ZLZHPTFXQVTLPF-CQSZACIVSA-N	305.422	1.630	50	20	DDGD	
CC[C@@]1(C(=O)NNC(=O)NC)CCCN1C(=O)OC(C)(C)C	494591185	VBZFGXDEVNPRFU-AWEZNQCLSA-N	314.386	1.126	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cccc(Nc2nccs2)c1	822556059	DAFRDNQIZJNLBN-SNVBAGLBSA-N	306.391	1.844	50	20	DDGD	
CN(NC(=O)[C@H]1C[C@]12CCN(C(=O)OC(C)(C)C)C2)C1CC1	496165398	DAOCPFBJTFOXRW-WBMJQRKESA-N	309.410	1.759	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCC(C)(C)OCC2CC2)cn1	491174609	IACWZYHIQPBMHT-NSIKDUERSA-N	302.378	1.648	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)C1CCOCC1	824039873	IWYLYGCUAWNQGF-JTQLQIEISA-N	316.365	1.373	50	20	DDGD	
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)/C(C#N)=C/c1cnn(C)c1	491088310	ZGUUFPRYNHFIGX-KQXDMJLLSA-N	315.421	1.564	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCC[C@@H]2Oc2ccccc2)o1	585023165	HOKUVHJHNZODSN-CABCVRRESA-N	301.151	1.049	50	20	DDGD	
CC(C)C[C@@H]1C[C@H]1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	822192709	XVDWQZIOPXNJMI-JMSVASOKSA-N	318.373	1.656	50	20	DDGD	
OB(O)c1ccc(-c2noc(CCCC(F)(F)F)n2)cc1	585050819	LYGXOAASVUBLBI-UHFFFAOYSA-N	300.045	1.301	50	20	DDGD	
Cc1noc([C@@H](C)N(C)C(=O)/C(C#N)=C/c2cnn(C)c2)n1	491050078	ONZKALQPWBWABJ-JOZRWXFHSA-N	300.322	1.238	50	20	DDGD	
Cn1cccc1[C@@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1	584954671	KFZJVTFTVBZVIA-INIZCTEOSA-N	312.178	1.072	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)OC(C)(C)C)c1[N+](=O)[O-]	496982176	AJOZULIXQWRLEB-UHFFFAOYSA-N	311.294	1.773	50	20	DDGD	
COC[C@@]1(CC(C)C)CCCN1C(=O)c1ccc(B(O)O)cc1	584981639	ZHVWTMIDCLKEES-KRWDZBQOSA-N	319.210	1.034	50	20	DDGD	
CCOC(=O)NNC(=O)Cc1ccc(NC(=O)C2CC2)cc1	491846649	JWIIMVFCKOTWRS-UHFFFAOYSA-N	305.334	1.355	50	20	DDGD	
Cc1noc(C2CC2)c1NC(=O)C(=O)NNC(=O)OC(C)(C)C	495414447	YCCQXMIAGQYRHK-UHFFFAOYSA-N	324.337	1.355	50	20	DDGD	
O=C(NCc1ccc(-n2cncn2)nc1)NNc1ccccc1	734264891	HCBBGDZYMYPECY-UHFFFAOYSA-N	309.333	1.489	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCCCc2sccc21	584983961	PYBJAORGIDSKBV-UHFFFAOYSA-N	301.176	1.411	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)[C@@H]2CCCCO2)cc1C	901250853	YDYYAZRGPFMVAH-AWEZNQCLSA-N	304.346	1.801	50	20	DDGD	
CS[C@@H]1CCN(CC(=O)NNC(=O)c2cccc(C)c2)C1	830888805	JIROBCBDKWOCKS-CYBMUJFWSA-N	307.419	1.193	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C[C@H]2CCOC2)c1	739679185	RKJZXGOFGSTAAY-CYBMUJFWSA-N	306.362	1.256	50	20	DDGD	
O=C(NNC(=O)[C@@]1(Cl)C[C@H]2CC[C@H]1O2)c1ccccc1F	905089003	CGDASWAOMYPDTI-XPLICSAQSA-N	312.728	1.516	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(S)n1)c1ccc(C)o1	730587421	MNKCZKPSGXOMQX-UHFFFAOYSA-N	306.347	1.455	50	20	DDGD	
C=CCNC(=S)NNC(=O)C[C@@H](C)C(=O)c1ccccc1	732838376	FZLPCDPYDWQIJT-LLVKDONJSA-N	305.403	1.577	50	20	DDGD	
Cc1nc(CCNC(=O)NNc2ncc(F)cc2F)cs1	837438305	PQXCNUNZIHGFOM-UHFFFAOYSA-N	313.333	1.994	50	20	DDGD	
CCC[C@H](OC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)OCC	837970329	BNCZGCZCMJHVES-OTAKNEKHSA-N	305.334	1.602	50	20	DDGD	
C[C@]1(C(=O)NCCCNC(=O)C2CCC2)C[C@@H]1Br	906907847	SBEIQGLEFYOTAI-GWCFXTLKSA-N	317.227	1.583	50	20	DDGD	
C[C@H]1C[C@H](C)N(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1	839493594	IAWBTSZUEADYEE-QWRGUYRKSA-N	320.349	1.086	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NCC[C@H](C)OC)ccc1F	838185125	GHPVKRWUDSNZAE-VIFPVBQESA-N	313.329	1.663	50	20	DDGD	
CCCCCNC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1cnn(C)c1	837968676	FTXUOCCVPVIGEZ-ZBQKXELDSA-N	318.377	1.565	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNc2cnc3ccccc3n2)CC1=O	839740296	NRADGKJMMXMTNC-NSHDSACASA-N	313.361	1.331	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CC[C@@H]([C@H]2CCOC2)C1	866998435	DQRMEJOAFNWNGW-NEPJUHHUSA-N	309.859	1.940	50	20	DDGD	
COc1cccc(F)c1C(=O)NNC(=O)Cc1cccnc1	746219412	SIGARYGVJRABMX-UHFFFAOYSA-N	303.293	1.233	50	20	DDGD	
Cn1cc(C(=O)NN=C2CCCC[C@H]2N2CCCCC2)cn1	748789095	YCVGCAKGHNLLGO-OAHLLOKOSA-N	303.410	1.934	50	20	DDGD	
CN(C)C(=O)c1cccc(CNC(=O)NNc2ccccn2)c1	916483714	MVFJNASEMBBKFU-UHFFFAOYSA-N	313.361	1.610	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@@H](C)C(=O)OC(C)(C)C)nc1	848667777	MEMTXAPBEAMYLK-SNVBAGLBSA-N	324.381	1.694	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1[C@@H](CO)CC[C@@H]1CO	912228914	GFKCUIBPUCSLPU-OPRDCNLKSA-N	308.216	1.140	50	20	DDGD	
O=C(NNc1cc(F)ccc1Br)C(=O)NC1CC1	840530593	BQCQZJOEKVZEIQ-UHFFFAOYSA-N	316.130	1.310	50	20	DDGD	
CCSc1cccnc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843656562	AZHYCAQNYKQEKS-ZJUUUORDSA-N	309.391	1.380	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)C(=O)c1ccc(Br)s1	910148620	DDCOQQMIJBTNSA-LURJTMIESA-N	321.196	1.037	50	20	DDGD	
CCN(CC(=O)NNC(=O)C(C)(C)C)[C@@H](C)c1cccc(O)c1	749846350	YJQLSZRLFHGONM-LBPRGKRZSA-N	321.421	1.969	50	20	DDGD	
CN(C)c1ccc(NC(=O)NN=C2CCS(=O)(=O)C2)cc1	741765125	PGXDYWCTBHFCBD-UHFFFAOYSA-N	310.379	1.049	50	20	DDGD	
CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843654565	RVGKVZPKLMCCBT-CFVMTHIKSA-N	320.389	1.725	50	20	DDGD	
O=C(NNc1cccc(F)c1F)[C@H]1CCCS(=O)(=O)C1	845857565	KPHHKEWAIRFXFP-QMMMGPOBSA-N	304.318	1.233	50	20	DDGD	
O=C(CCC1CCCCCC1)NNC(=O)CN1CCCC1=O	913733481	KNTGSMFZMILETC-UHFFFAOYSA-N	309.410	1.507	50	20	DDGD	
O=C(Cc1ccc(-n2cccn2)cc1)NNC(=O)C1CCCC1	915641868	XVZNVZSYZXSWIL-UHFFFAOYSA-N	312.373	1.752	50	20	DDGD	
O=C(NNc1ccc(OC(F)F)cc1)NC1CCNCC1	841916360	VZQKPNJTHAYRJN-UHFFFAOYSA-N	300.309	1.666	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H]1CCCN(C)C1=O	748581666	OUAGUYICVXYZML-NSHDSACASA-N	312.801	1.089	50	20	DDGD	
CNC(=S)NNC(=O)Nc1cc(Cl)c(OC)cc1OC	741864222	AAEDXMVUAQJGBK-UHFFFAOYSA-N	318.786	1.488	50	20	DDGD	
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NNc1c(F)cccc1F	748171255	LLXURNFXSNHHDW-UHFFFAOYSA-N	324.243	1.178	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCSc2ccccc21	744383976	GCIYRLSTUJUEIL-UHFFFAOYSA-N	307.419	1.792	50	20	DDGD	
Cc1c(NNC(=O)N[C@H]2CCC[C@@H](N)C2)cccc1[N+](=O)[O-]	841981337	ZPQIESBIQKLIHA-MNOVXSKESA-N	307.354	1.799	50	20	DDGD	
CO[C@H](CS(=O)(=O)NNC(=O)CC(C)C)C1CCCC1	849303342	BFBNBKCFQBLLHH-GFCCVEGCSA-N	306.428	1.188	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=Cc1ncccc1C(F)(F)F	842562992	UGFSGJVWBJZWRJ-BDAKNGLRSA-N	301.268	1.976	50	20	DDGD	
C#C[C@H](NC(=O)NNc1ccc(CC(=O)OC)cc1)C(C)C	845204005	PJGBGEBDCWBUCV-AWEZNQCLSA-N	303.362	1.686	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](C(C)C)N1CCCCC1	840572079	PMKREIURKPOHAK-GFCCVEGCSA-N	307.398	1.439	50	20	DDGD	
CSSCCNC(=O)C(=O)Nc1cc(C)c(C#N)cn1	847517809	GUYKAUYGPVWQFH-UHFFFAOYSA-N	310.404	1.328	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1(c2cccc(F)c2)CC1	843650582	DUHQQWMDDLBNPY-GXFFZTMASA-N	306.337	1.430	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)c1cccc(OC)c1F	848449655	UUKZXBLQVOQSPO-QMMMGPOBSA-N	304.343	1.190	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCc1cccc(F)n1	748033190	FGADAOCSCNGZAH-UHFFFAOYSA-N	320.299	1.433	50	20	DDGD	
CC(C[C@H]1CCCC(=O)N1)=NNC(=O)COc1ccccc1O	841639936	FQNYABIQTJIEAF-GFCCVEGCSA-N	319.361	1.322	50	20	DDGD	
CCc1ncc(C=NNC(=O)[C@H](C)CN2CCOCC2)s1	752162202	APWXJKUTBRIQAW-LLVKDONJSA-N	310.423	1.124	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccc2cnccc2n1	855092853	RLLLZDVBKZXLSX-UHFFFAOYSA-N	315.402	1.539	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(Cl)c(OC(F)F)c1	757979311	YCZRKQYBXIEPPA-UHFFFAOYSA-N	323.683	1.741	50	20	DDGD	
CCN(C[C@H]1CCCO1)C(=O)NNC(=O)c1cccc(F)n1	852709779	FGKCMTJIPQMSJT-SNVBAGLBSA-N	310.329	1.076	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cnc2c(c1)c(C)nn2C	755847146	KVUJOUCMASZVOP-QMMMGPOBSA-N	304.354	1.476	50	20	DDGD	
CCCOc1ccc(C(=O)NNC(=O)[C@@H](O)CCC)cc1OC	929320552	ZHYFYLLRWHVMNE-LBPRGKRZSA-N	324.377	1.406	50	20	DDGD	
CCN1CC[C@H](NC(=O)NC[C@]2(C)C[C@H]2Br)C1=O	856855293	ALCIBMZKNNRMCE-SBMIAAHKSA-N	318.215	1.080	50	20	DDGD	
CC1(C)Cc2cc(S(=O)(=O)NNC(=O)C3CCC3)ccc2O1	753363101	IFPKIXWMZIWJSJ-UHFFFAOYSA-N	324.402	1.510	50	20	DDGD	
COc1c(C(=O)NC[C@]2(C)C[C@H]2Br)c(C)nn1C	857687797	BJRNDRXVSRRWPV-PELKAZGASA-N	316.199	1.640	50	20	DDGD	
C[C@@H](c1ccccc1)[C@@H](CO)NC(=O)NNC(=O)C1CCCC1	753343838	KJDOFKDTUNWDMY-SWLSCSKDSA-N	319.405	1.672	50	20	DDGD	
CO[C@@H]1COC[C@@H]1NC(=O)NNc1cc(F)cc(Cl)c1	854152188	ZSHCDIDBXCSMTA-WDEREUQCSA-N	303.721	1.519	50	20	DDGD	
O=C1CCCN1C[C@H]1CCN(S(=O)(=O)CCCCCl)C1	851836042	MGKNYAOFAPTWIK-GFCCVEGCSA-N	322.858	1.280	50	20	DDGD	
CCN(C)C(=O)[C@H](C)NC(=O)NC[C@]1(C)C[C@@H]1Br	856851368	FFZLWAKNJLXDHN-AUTRQRHGSA-N	320.231	1.326	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cnc2n1CCCC2	855089567	WPQOLJGCUFTHMQ-UHFFFAOYSA-N	307.423	1.128	50	20	DDGD	
C#CC[C@H](CCOC)NC(=O)NNC(=O)c1ccc(CC)cc1	859026888	VVSHCSVYMAACDI-OAHLLOKOSA-N	317.389	1.621	50	20	DDGD	
O=C(NC[C@H]1COCO1)NNc1ccccc1OC(F)(F)F	923850310	AFETXVFBKLROJN-QMMMGPOBSA-N	321.255	1.584	50	20	DDGD	
Cc1[nH]nc(C(=O)NCCCSC#N)c1Br	854362818	BVWGQKJNENPRQN-UHFFFAOYSA-N	303.185	1.815	50	20	DDGD	
Cc1nnc2n1C[C@@H](C(=O)NNc1ccnc(Cl)c1)CC2	855465019	DIWLGSZTJOFXQG-VIFPVBQESA-N	306.757	1.341	50	20	DDGD	
Cc1nn(C)cc1C=NNC(=O)COc1ccc(Cl)cc1	755511288	PNLGXIZLIQBKKN-UHFFFAOYSA-N	306.753	1.911	50	20	DDGD	
O=C(NNC(=O)N1CCC(c2cn[nH]c2)CC1)C1CCCC1	753338875	GRABLKLAKLVDCF-UHFFFAOYSA-N	305.382	1.520	50	20	DDGD	
O=C(NN=C[C@@H]1C[C@@H]1c1ccccc1)N[C@H]1CCS(=O)(=O)C1	755664255	JOFPCBCXTBVSIE-MELADBBJSA-N	321.402	1.262	50	20	DDGD	
O=C(NCC(F)F)NNC(=O)C12CC3CC(CC(C3)C1)C2	752020627	XKDARFWEPXSOKN-UHFFFAOYSA-N	301.337	1.798	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)CCn1cccc1	751060103	QZINVNLSSPIQPF-UHFFFAOYSA-N	316.361	1.146	50	20	DDGD	
Cc1ccc(NNC(=O)NCCN2CCO[C@H](C)C2)cc1F	853607854	XEPAOJVHYZYVKT-GFCCVEGCSA-N	310.373	1.481	50	20	DDGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)c2cc3c(s2)CCC3)O1	756900380	ZUDISOLZOTVORU-WDEREUQCSA-N	308.403	1.955	50	20	DDGD	
CC[C@@](C)(NC(=O)NNC(=O)c1ccnnc1)C(F)(F)F	933514097	ZNGSYHITYNNKIX-SNVBAGLBSA-N	305.260	1.152	50	20	DDGD	
COc1cc(NCc2ccccc2B(O)O)cc(OC)c1Cl	864039232	RFXDRUOISBNJIA-UHFFFAOYSA-N	321.569	1.649	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1nc2ccc(Cl)cc2n1C	760248086	HNEHDGYJQLZAEU-UHFFFAOYSA-N	307.785	1.629	50	20	DDGD	
COc1ccc(S(=O)(=O)NCC(Cl)Cl)c(F)c1	867469762	HDBHISOOFVUKJG-UHFFFAOYSA-N	302.154	1.916	50	20	DDGD	
CCO[C@H](C)c1ncc(C(=O)NNc2ncc(F)cn2)s1	760909230	ZTNXPVAMGZBBDU-SSDOTTSWSA-N	311.342	1.927	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1C[C@H]2C[C@@H](O)CC[C@H]2C1	867407005	JQCYLOPTXNWDPZ-TUAOUCFPSA-N	309.859	1.674	50	20	DDGD	
Cc1onc(-c2ccccn2)c1C(=O)NNC(=O)c1ccccn1	764431226	YZKBNVQVJWNFJW-UHFFFAOYSA-N	323.312	1.515	50	20	DDGD	
CC(=NNC(=O)CS(C)(=O)=O)[C@@H]1C[C@H]1c1cccs1	863183607	IINOUIQIOGFTTP-VHSXEESVSA-N	300.405	1.388	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CCC(=O)[C@H](C)C2)cc1	763273689	OMSGRXGFFVQVHU-CHWSQXEVSA-N	317.389	1.560	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NN=C2CCCN3CCCC[C@H]23)CCCN1C	863141575	NVBJBGZESHCMJE-IIAWOOMASA-N	306.454	1.837	50	20	DDGD	
Cc1ccccc1C[C@H](C)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	862095377	KEQDXYNJOFTSGJ-YDHLFZDLSA-N	304.390	1.746	50	20	DDGD	
COc1c(C(=O)NNc2cc(C#N)cc(Cl)n2)c(C)nn1C	769057987	ZYVZSCSCCBXORR-UHFFFAOYSA-N	320.740	1.414	50	20	DDGD	
CCCc1csc(NC(=O)C(=O)NNc2cccc(C)n2)n1	861960741	RDSCOIWQMCHJQQ-UHFFFAOYSA-N	319.390	1.881	50	20	DDGD	
O=C(C[C@H]1COC(=O)C1)NNc1ncccc1C(F)(F)F	768142903	OAHMOYDDUKWWMN-SSDOTTSWSA-N	303.240	1.497	50	20	DDGD	
O=C(NCC(=O)N1CCCC1)NNc1cc(F)cc(Cl)c1	1118584649	CRZNGQQMYBQSPX-UHFFFAOYSA-N	314.748	1.728	50	20	DDGD	
CC#CCCNC(=O)NNC(=O)c1cccc(OC(F)F)c1	776206859	XYKHOWXPZYCCID-UHFFFAOYSA-N	311.288	1.645	50	20	DDGD	
CC(C)CN1C[C@@H](C(=O)NNc2nccnc2C(C)C)CC1=O	772894479	XXOXIRLOCIHOLG-LBPRGKRZSA-N	319.409	1.548	50	20	DDGD	
O=C(NNS(=O)(=O)c1cnn(C2CCCC2)c1)C1CCC1	872352081	CKQOFTMBKPAMJD-UHFFFAOYSA-N	312.395	1.108	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NN=C1CCC[C@@H]1F	872388106	BQSMOEPRVMFNMN-UHIISALHSA-N	308.357	1.882	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)c2ccncc2)c(C)nc1C	777087411	XHXXKSVQUJOSID-UHFFFAOYSA-N	312.329	1.371	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ccnc(Br)c1)N(C)C	771547960	YRSZIJUREWUTQJ-NSHDSACASA-N	315.215	1.873	50	20	DDGD	
COCOc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1	879912243	BFUSPGHSINCZBD-MFKMUULPSA-N	323.349	1.247	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H](O)C1)c1ccc(Cl)cc1Cl	873814275	QKPBKPNKJXMOTN-WRXNHJIOSA-N	303.145	1.525	50	20	DDGD	
CC(C)CO[C@@H](C)C(=O)NNc1cccc(S(C)(=O)=O)c1	776534115	CQHSHXNSPKUUGC-NSHDSACASA-N	314.407	1.594	50	20	DDGD	
Cc1nccc(NC(=O)NNC(=O)c2cc3c(s2)CCC3)n1	776495776	JWGYQBAFZHSCDL-UHFFFAOYSA-N	317.374	1.802	50	20	DDGD	
CCc1ccc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)cc1	771893031	QKAGHYXLOAINIY-GFCCVEGCSA-N	320.389	1.988	50	20	DDGD	
C#CCCCC(=O)NNC(=O)c1ccccc1NC(=O)OC	887142882	DHEYQXICPXOAHE-UHFFFAOYSA-N	303.318	1.429	50	20	DDGD	
Cc1nc(CNC(=O)NNC(=O)C2CCOCC2)sc1C	883484488	SXTWFYUTDPLCFY-UHFFFAOYSA-N	312.395	1.017	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N(C)CCCF)c(OC)c1	884131788	VKSRPSWVIYVPLB-UHFFFAOYSA-N	313.329	1.350	50	20	DDGD	
O=C(CN1CCC[C@H]2CCC[C@@H]21)NNC(=O)c1cccs1	777589523	AGFJWKXGXDQKEA-NEPJUHHUSA-N	307.419	1.774	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCc1ccc(CC)cc1	771902603	IQBNRNNZBHHVFP-GFCCVEGCSA-N	320.389	1.671	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1OC	770587115	BIXGXUVTMWMBAB-ZYHUDNBSSA-N	322.361	1.280	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)CC(F)(F)F)cc1F	880920415	PUDJNECZMOEINN-UHFFFAOYSA-N	322.262	1.997	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCc2sccc21)C1CCOCC1	883066749	IWZJBFUEWBGKTM-GFCCVEGCSA-N	308.403	1.742	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ncccc2Cl)cn1	784821212	MMFVYJAOJPDDME-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
Cc1csc(NC(=O)C(=O)NNc2cc(Cl)ccn2)n1	784861286	UXZLRFSDLYKVOT-UHFFFAOYSA-N	311.754	1.582	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NC[C@@H]2CCC=CO2)cc1	780747263	CNRNIMAHDZXGDX-AWEZNQCLSA-N	303.362	1.886	50	20	DDGD	
CNC(=O)NN=Cc1cnc2c(C)cc(Br)cn12	783830661	BBARDALVORDYEF-UHFFFAOYSA-N	310.155	1.668	50	20	DDGD	
CC1(Cn2cc(C(=O)NNc3cc(F)ccc3F)nn2)COC1	885142939	NSCPEDYCNFYPDV-UHFFFAOYSA-N	323.303	1.350	50	20	DDGD	
O=C(NNc1ncncc1Cl)c1cccc(-n2ccnn2)c1	781830248	RHXAWARLGAHJHV-UHFFFAOYSA-N	315.724	1.468	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)O[C@@](C)(CC)O2	785986938	BIMHOQMPHQMGIC-HNNXBMFYSA-N	321.333	1.080	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN[C@@H](C)c2ccccn2)c1	782986326	BXMGSIVNJRVCCO-ZDUSSCGKSA-N	312.373	1.502	50	20	DDGD	
CCOC1CC(CC(=O)NNC(=O)c2cccc(C#N)c2)C1	789189385	XEKAJRQILIEKPU-UHFFFAOYSA-N	301.346	1.524	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCc1cc(O)n2ncc(C#N)c2n1	786679831	CLVRPKIPMBATNM-XCVCLJGOSA-N	309.285	1.210	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@H]2CCC(F)(F)C2)c1	794861242	FNUWHMAQMKXKMD-NSHDSACASA-N	312.316	1.957	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)NNc1ncccn1	792969373	AZNRZWUXWWHZLA-SNVBAGLBSA-N	321.381	1.565	50	20	DDGD	
C=C[C@@H](NNC(=O)c1ccc(OC(C)C)c(OC)c1)C(=O)OC	799975997	PJKYDARBWKCDPD-GFCCVEGCSA-N	322.361	1.444	50	20	DDGD	
COC(=O)C[C@@H]1CCC(=NNC(=O)Cn2nc(C)cc2C)[C@@H]1C	794480020	KKKAOWFCZZEMTR-OLZOCXBDSA-N	320.393	1.581	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cn(-c3ccccc3)nn2)n1	794079779	BMZIMMDYNOHPHI-UHFFFAOYSA-N	322.328	1.046	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C2CCCC2)cc([N+](=O)[O-])c1C	790289660	NFDJYHLCIQPENA-UHFFFAOYSA-N	321.333	1.863	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)COC(F)F)cc1OC	794619994	OZMSLRYMTJRARI-UHFFFAOYSA-N	318.276	1.094	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1nc(Br)ccc1F	792047978	YTUNUXOYDITYTO-UHFFFAOYSA-N	318.146	1.790	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccnn1-c1ccccc1	798306361	FBBBSPLCPABOPW-UHFFFAOYSA-N	301.375	1.167	50	20	DDGD	
Cn1nccc1[C@H]1CCCC(=NNC(=O)CN2CCCC2=O)C1	790287940	PZVVRNWLKFSMKD-LBPRGKRZSA-N	317.393	1.172	50	20	DDGD	
CSSCCNS(=O)(=O)c1ccc(C)c(C(N)=O)c1	790350789	ZLCJWXXDWOUSOS-UHFFFAOYSA-N	320.461	1.383	50	20	DDGD	
COc1ccc(NCC(=O)NN=Cc2ncc(Cl)n2C)cc1	799467277	JLNZABUOKVKBID-UHFFFAOYSA-N	321.768	1.644	50	20	DDGD	
C[C@H](Sc1ccccn1)C(=O)NNc1nncc(N)c1Cl	1319219836	MHEDKPVTZJJKTB-ZETCQYMHSA-N	324.797	1.731	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN2CC3CCC2CC3)c1	1319986661	VDJFAGAJELKOLZ-UHFFFAOYSA-N	301.390	1.630	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC2CC3(CCC3)C2)cc1	1328688263	BZVSWCQJIFWVAP-UHFFFAOYSA-N	303.362	1.972	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CCCS2(=O)=O)cc1Cl	1326814173	XKFGXFBSEIHNLK-LLVKDONJSA-N	302.783	1.669	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@@H]2CCCOC2)cc1	1321162292	OZGMWCZDPOSLOX-NSHDSACASA-N	307.350	1.066	50	20	DDGD	
CCC(C=NNC(=O)CCO)(CC)CNC(=O)OC(C)(C)C	1326637557	QFNOXYNVRAAPQZ-UHFFFAOYSA-N	315.414	1.802	50	20	DDGD	
O=C(NNC(=O)N1CCCOCC1)c1cccc2ccccc12	1328123341	YDIGYVULGIJHIO-UHFFFAOYSA-N	313.357	1.917	50	20	DDGD	
O=C(NNC(=O)[C@@]1(F)CCOC1)C12CC3CC(CC(C3)C1)C2	1258436964	LNHVXAIWBFPZMJ-MZUCJFPPSA-N	310.369	1.479	50	20	DDGD	
CC(C)(O)C(C)(C)CNC(=O)NNc1nncc(N)c1Cl	1324902198	JHYZEQKLAXLNAM-UHFFFAOYSA-N	316.793	1.135	50	20	DDGD	
CN(C)[C@H]1CCCC[C@H]1NC(=O)NNC(=O)c1cccc(F)n1	1328412074	IMAQOSBHFQATLI-PWSUYJOCSA-N	323.372	1.038	50	20	DDGD	
Cc1cc(Cl)cnc1NC(=O)C(=O)NNc1ncc(F)cn1	1330091266	XYXQREKMZUCNRJ-UHFFFAOYSA-N	324.703	1.054	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CC(C(=O)OC)C2)cc1	1339298976	TYAJIFNJLYBOLM-MDWZMJQESA-N	314.341	1.624	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@@H]1CCC[C@H]1OC	1338996405	QQOGSPMJZQFMRC-BXKDBHETSA-N	310.325	1.871	50	20	DDGD	
Cc1cc(C(=O)N2CC[C@@H](B(O)O)C2)c(C)n1Cc1ccco1	1330262995	YBPUBGHWRXUDKI-CYBMUJFWSA-N	316.166	1.435	50	20	DDGD	
COc1cc(C[C@@H](CO)CNC(=O)CCl)cc(OC)c1	1336912612	XMJXFZLVFIIOKR-LLVKDONJSA-N	301.770	1.210	50	20	DDGD	
O=C(NNC(=O)N1CC[C@@H]2CCCC[C@H]2C1)c1cccnn1	1330856023	MURBCUCWDCZFIS-RYUDHWBXSA-N	303.366	1.343	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)CN1CCC(CO)CC1	1347333061	HTPGRSDQCQTBOP-UHFFFAOYSA-N	311.813	1.796	50	20	DDGD	
O=C(NC[C@@H]1CCCCN1)NNC(=O)c1ccccc1Cl	1261376859	ZZVZTMNIJLPTLL-JTQLQIEISA-N	310.785	1.426	50	20	DDGD	
COc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=S)NC(C)C	1261364679	RKWRIUROXXXRJM-NWDGAFQWSA-N	307.419	1.702	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(F)cc1Cl)c1nnnn1C	1348044736	JOBAWYYUEXBWEN-LURJTMIESA-N	313.724	1.390	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cncc(C(F)(F)F)c1	1520344767	YXVLVGNGIAKXTA-UHFFFAOYSA-N	305.260	1.798	50	20	DDGD	
C[C@H]1CC[C@@H](NC(=O)NNc2ccc(-c3nn[nH]n3)cn2)C1	1603881754	TXEYRSQKILBAAS-WCBMZHEXSA-N	302.342	1.076	50	20	DDGD	
COc1cccc(NNC(=O)Nc2cc(C(=O)O)cs2)n1	1607325756	HMOJOXQJMIQHDK-UHFFFAOYSA-N	308.319	1.999	50	20	DDGD	
COc1c(NC(=O)NNc2ccccn2)cccc1C(=O)O	1607034631	NFNINSLJZWQQPO-UHFFFAOYSA-N	302.290	1.937	50	20	DDGD	
Cc1ccc(NNC(=O)C2(C(=O)O)CCOCC2)c(Cl)c1	1605296347	FOUMQZFJPHFREA-UHFFFAOYSA-N	312.753	1.973	50	20	DDGD	
CN(NC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C1CC1	1609281414	CIURYJIVBFWFKB-UHFFFAOYSA-N	307.745	1.651	50	20	DDGD	
O=C(O)c1ccnc(C(=O)NNc2ncnc3ccsc23)c1	1602482447	ZPUCSRCDVINFHT-UHFFFAOYSA-N	315.314	1.541	50	20	DDGD	
O=C(O)[C@]1(C(=O)NNc2cc(F)cc(F)c2F)CCCO1	1605935140	BIXGOPINFBMWDN-GFCCVEGCSA-N	304.224	1.181	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)c2noc3c2CCCC3)cc1	1602128242	FZTCWTCMWUQSDZ-UHFFFAOYSA-N	315.329	1.937	50	20	DDGD	
O=C(Cc1ccc(Cl)cn1)NNc1ccc(C(=O)O)cn1	1608362723	FMSHJZTUGXYHRT-UHFFFAOYSA-N	306.709	1.514	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)Nc2ccccc2C(=O)O)n1	1611313801	RQBSVGCAGCZYTG-UHFFFAOYSA-N	322.712	1.559	50	20	DDGD	
COC1CCC(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)CC1	1549685224	OLQIOWIKLMQMDM-SHWKFHJASA-N	309.410	1.157	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1cc(C)c(C)o1	1549319051	FZJULBSDXWLNLB-UKRRQHHQSA-N	305.378	1.600	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)O)C2	1800074108	KSOVKAQENWUIAL-RMPHRYRLSA-N	302.802	1.023	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C2(C3CCNCC3)CC2)cc1	1579194854	VRIUPXAJERYDFJ-UHFFFAOYSA-N	317.389	1.236	50	20	DDGD	
CC[C@H]1NCC[C@H]1C(=O)NNc1ccnc(C(F)(F)F)c1	1577308328	LTESUPVXVLDRIN-NXEZZACHSA-N	302.300	1.932	50	20	DDGD	
O=C(O)C1=NO[C@H](C(=O)NNc2c(Cl)cccc2Cl)C1	1574644401	UTOYGZARNYCRDX-QMMMGPOBSA-N	318.116	1.666	50	20	DDGD	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)c1c[nH]c2ccccc12	1594228228	RMXBEMBEEHPWMQ-GLEZIHRCSA-N	301.302	1.040	50	20	DDGD	
C[C@H](NC(=O)c1ccoc1)C(=O)NNc1ccccc1C(=O)O	1593181924	ZGWYRXSOLQRHJR-VIFPVBQESA-N	317.301	1.239	50	20	DDGD	
COc1cc(F)cc(NNC(=O)c2cc(C(=O)O)nn2C)c1	1594059439	ORTRBMHHZVWDCX-UHFFFAOYSA-N	308.269	1.023	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2C[C@H]2C(=O)O)c(C(F)(F)F)c1	1599598327	WOUFICBZSDJLOC-JGVFFNPUSA-N	318.251	1.878	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNc2nc3ccncc3s2)O[C@H]1C(=O)O	1599875736	CRHUIKLVALQBTE-GTNGPMTGSA-N	322.346	1.013	50	20	DDGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)O)c1C	1593955925	CGMHYTNWDQHGDK-RZBIUYHXSA-N	320.345	1.847	50	20	DDGD	
COC(=O)NNC(=O)Nc1cc(F)c(Cl)c(C(=O)O)c1	1598884360	WKICMLBPSUVYOD-UHFFFAOYSA-N	305.649	1.570	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2cn3c(n2)CCCC3)CC[C@@H]1C(=O)O	1776105651	YPVYRMQOUOQDJP-JQWIXIFHSA-N	318.377	1.826	50	20	DDGD	
CCO[C@H]1C[C@@H]1C(=O)NN=Cc1n[nH]c2cc(C(=O)O)ccc12	1776102022	FCIJNMJBRKEMFE-GWCFXTLKSA-N	316.317	1.136	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Cc2ccccc2)c(OC)c1	15918460	PQQKLVPOLRNYHF-UHFFFAOYSA-N	314.341	1.708	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2OCCc3ccccc32)o1	162199439	HQRISJMDWJNDFG-CQSZACIVSA-N	300.314	1.663	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)CCn2cc([N+](=O)[O-])cn2)c1	158718355	HAVKNAQJDUTACD-UHFFFAOYSA-N	303.322	1.942	50	20	DDGD	
COC(=O)NNC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1	158843320	JFRAMWXQCZBJGX-NXEZZACHSA-N	313.151	1.940	50	20	DDGD	
O=C(COCC1CC1)NNC(=O)c1cc(-c2cccs2)n[nH]1	151118569	FIBLARMNRTYZLP-UHFFFAOYSA-N	320.374	1.326	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CCC(C)(C)c2ccccc2)cn1	155240370	ALQIYBZISXSZSW-UHFFFAOYSA-N	314.389	1.939	50	20	DDGD	
C[C@H](NS(=O)(=O)CCCCCl)[C@@H](C)N1CCOCC1	154113013	LOZRIWBNVHVRJI-NWDGAFQWSA-N	312.863	1.034	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C[C@H](C)c2c(C)noc2C)[nH]n1	155950241	MPFLATQYKIFVAY-ZETCQYMHSA-N	305.338	1.278	50	20	DDGD	
CCOC[C@@H]1CCCCN1S(=O)(=O)CBr	313237087	UBPGAFWNMYTFOR-VIFPVBQESA-N	300.218	1.560	50	20	DDGD	
COCC1(CNS(=O)(=O)CBr)CCCCC1	810111687	SWOLDCACLKYBDE-UHFFFAOYSA-N	314.245	1.855	50	20	DDGD	
O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)c1ccoc1	10159860	NFRIZSSPAHEHPI-UHFFFAOYSA-N	312.285	1.246	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)Cn2nc(C)cc2C)cc1C	8300655	HSKWOFKWPPUNEZ-UHFFFAOYSA-N	320.418	1.893	50	20	DDGD	
CCNC(=O)NNC(=O)CCc1cc(Br)cs1	107231297	ISSUTNPOYPISAQ-UHFFFAOYSA-N	320.212	1.794	50	20	DDGD	
CN(NC(=O)CCNC(=O)c1ccc2ccccc2c1)C(N)=O	179696213	AUMOPPHLJTYEDY-UHFFFAOYSA-N	314.345	1.001	50	20	DDGD	
CCCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)CC(C)(C)C	106917269	MHWBMJADVUJUOM-GFCCVEGCSA-N	311.426	1.751	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)C1=NO[C@H](c2ccccc2)C1	103423171	MHGCYYZXVODBEB-HNNXBMFYSA-N	324.340	1.289	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NC[C@H]1CCCCO1	109032642	IVPPMELZUJPIGR-GFCCVEGCSA-N	309.341	1.268	50	20	DDGD	
CC[C@H](Oc1ccccc1C)C(=O)NNC(=O)c1cccn1C	175779462	HNTSWQNTZKCHGE-AWEZNQCLSA-N	315.373	1.952	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ccccc2[N+](=O)[O-])cn1	119181537	MNSHXUZLUFORNJ-UHFFFAOYSA-N	315.289	1.380	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1csc(Cc2ccc(F)cc2)n1	171029841	QQBWGKWWMGLMBU-UHFFFAOYSA-N	322.365	1.789	50	20	DDGD	
Cc1cnc([C@H](C)NC(=O)NNC(=O)Cc2cccnc2)s1	176480221	NSMRCMSFKXMVSO-JTQLQIEISA-N	319.390	1.481	50	20	DDGD	
CCCCOCC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	118228431	KFKWLWFDMWZXDC-UHFFFAOYSA-N	316.361	1.450	50	20	DDGD	
Cc1nnc(NNC(=O)COc2ccccc2C(C)C)nc1O	23309644	KWHBAQYTBBFWDC-UHFFFAOYSA-N	317.349	1.531	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)c1csc2c1CC[C@H](C)C2	70920089	IXOUTYYAXDAGKR-VIFPVBQESA-N	323.418	1.159	50	20	DDGD	
CSc1ccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)o1	112230619	BTCLBFNDSBHHEZ-VIFPVBQESA-N	318.420	1.107	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC(C)(C)N2CCCCC2)o1	177257942	PPZWTZRXVWDYPH-UHFFFAOYSA-N	322.409	1.797	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)c2ccc(Cl)nc2)cc1	24461496	YYAVVXXSYRAQBM-UHFFFAOYSA-N	319.748	1.747	50	20	DDGD	
CC(C)Cn1cnc(S(=O)(=O)NNC(=O)CC(C)(C)C)c1	174948165	RICCTHSBFMTVLH-UHFFFAOYSA-N	316.427	1.285	50	20	DDGD	
O=C(NNC(=O)c1cccnc1)Nc1nc2c(s1)CCCC2	170697803	QYPPOTPTNOOTLI-UHFFFAOYSA-N	317.374	1.883	50	20	DDGD	
Cc1sc2ncnc(N3CCC(C(=O)NN)CC3)c2c1C	302106668	CTHOYVBPLLJYIA-UHFFFAOYSA-N	305.407	1.514	50	20	DDGD	
CC(C)Oc1cccc(C(=O)NNC(=O)c2ccncc2)n1	121636215	JNRRNDCKXQYJJF-UHFFFAOYSA-N	300.318	1.339	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Cc2cn3ccccc3n2)cc1	32063767	VPSCOJFNDUCHKI-UHFFFAOYSA-N	308.341	1.646	50	20	DDGD	
CN(NC(=O)CCCc1nnc(-c2ccccc2)o1)C(N)=O	181072366	PDLLDZQSMGYPMQ-UHFFFAOYSA-N	303.322	1.101	50	20	DDGD	
O=C(CNC(=O)c1cc(F)cc(F)c1)NNc1cccc(F)c1	120004820	ZJNXYKVIVAFYEV-UHFFFAOYSA-N	323.274	1.977	50	20	DDGD	
Cc1nc2ncnn2c(C)c1CCC(=O)NNc1ccncc1	180469897	WNNTYMQDHBGUPH-UHFFFAOYSA-N	311.349	1.212	50	20	DDGD	
O=C(COCC(F)(F)F)NNc1cnc2ccccc2n1	125314973	YPSIFCNSTSEYDE-UHFFFAOYSA-N	300.240	1.652	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(F)c(Cl)c1	180966270	FJPYFUNNWQJUBY-UHFFFAOYSA-N	315.732	1.611	50	20	DDGD	
CCc1ccnc(C(=O)NNC(=O)c2cccc(N(C)C)c2)c1	181698792	AHBCOBIAIAUYEC-UHFFFAOYSA-N	312.373	1.785	50	20	DDGD	
Cc1nn(-c2ccccc2)c(C)c1CC(=O)NN(C)C(N)=O	181086020	DDJSYZNEDJEKNB-UHFFFAOYSA-N	301.350	1.073	50	20	DDGD	
COc1ccc(F)c(C(=O)NNC(=O)c2ccc[nH]2)c1OC	188180150	CZXQDXONWLXZMH-UHFFFAOYSA-N	307.281	1.246	50	20	DDGD	
COCC1=CCN(C(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)CC1	185399693	BQIDRXGMNCQNIP-PXNMLYILSA-N	324.384	1.917	50	20	DDGD	
CC(C)OCCCNC(=O)NNC(=O)Cc1ccc(F)cc1	45118989	LVQAAXANADBZHM-UHFFFAOYSA-N	311.357	1.514	50	20	DDGD	
CC(C)OCc1ccc(C(=O)NNC(=O)NCC2CC2)cc1	139398208	BNGGMCYECHCPFA-UHFFFAOYSA-N	305.378	1.966	50	20	DDGD	
CNC(=O)N1CCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)CC1	84696900	GSIVYFYCMZUPFV-LHHJGKSTSA-N	315.333	1.416	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H](C)n2cccn2)c1	44667808	OXQOMMJNHFXZOF-CYBMUJFWSA-N	316.361	1.287	50	20	DDGD	
O=C(NCc1ccccn1)NNC(=O)c1cccc(Cl)c1	193822937	AZKXQGONTGQHBJ-UHFFFAOYSA-N	304.737	1.879	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)C[C@@H](c1ccccc1)C(F)(F)F	190071753	JYRJQIVPHQSDSU-JTQLQIEISA-N	318.295	1.641	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)c2ccon2)o1	130147308	ATSCANJBQHFLMB-UHFFFAOYSA-N	306.322	1.184	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)NCC(F)(F)F	46916758	RHVFZCUOMRZZSD-UHFFFAOYSA-N	314.267	1.603	50	20	DDGD	
C[C@H](Cc1cccc(F)c1)C(=O)NNC(=O)N1CCOCC1	194906264	GYDGVVKHFVPRJN-LLVKDONJSA-N	309.341	1.077	50	20	DDGD	
O=C(/C=C\c1cccnc1)NNC(=O)c1ccc(Cl)nc1	255114523	RUKGXDMVCLCRJY-UTCJRWHESA-N	302.721	1.604	50	20	DDGD	
CCn1cnnc1CNC(=O)NNc1ccc(Cl)c(F)c1	266966980	NUNSYZPHIWQGFT-UHFFFAOYSA-N	312.736	1.917	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCn1ccnc1C	266823846	IPHGXHUSQVMAOV-UHFFFAOYSA-N	309.801	1.674	50	20	DDGD	
CCSCC[C@H](C)NC(=O)NNC(=O)c1ccccc1O	266736037	NEPMUSJWPGLNEX-JTQLQIEISA-N	311.407	1.868	50	20	DDGD	
C[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)COc1ccccc1O	264544674	BJSAJXHHPQRLBL-VXGBXAGGSA-N	321.377	1.680	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc2nc(S)oc2c1	266811818	FYRZUBKHJQDLQP-UHFFFAOYSA-N	324.362	1.097	50	20	DDGD	
O=C(C[C@H]1CCCC(=O)N1)NNc1nccc2sccc12	367659501	UOGASRPZWBUWGJ-SECBINFHSA-N	304.375	1.798	50	20	DDGD	
CC1CC(NC(=O)NNC(=O)COc2ccc(C#N)cc2)C1	268051139	QIPXNGMKYQIJPW-UHFFFAOYSA-N	302.334	1.066	50	20	DDGD	
O=C(NNc1cccc(C(F)(F)F)n1)[C@@H]1C[C@@]12CCOC2	364087946	VBLHDVNVURKJJP-QPUJVOFHSA-N	301.268	1.970	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CCCc3nn(C)cc32)nc1	366895196	JJKKPPBTALPDHY-NSHDSACASA-N	301.350	1.387	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)CCCOC(C)C)cc1	273491593	MUCDEZANQAZGEF-UHFFFAOYSA-N	323.393	1.460	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C(C)(C)C)c(C)n1	277835734	MOAUZQHVLDPADI-AAEUAGOBSA-N	320.393	1.306	50	20	DDGD	
CCOC(=O)C[C@H](C)CNC(=O)NNC(=O)c1ccc(C)o1	270462319	RTHBEBAHPGFWJQ-VIFPVBQESA-N	311.338	1.121	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCCCC2)c1ccncn1	275114110	HNOMUGLTPSBQFC-UHFFFAOYSA-N	316.386	1.882	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ccccc1COC	276579570	OKAIZMZWLTVVGK-UHFFFAOYSA-N	324.377	1.383	50	20	DDGD	
CSc1nsc(NC(=O)NNc2nc(C)cc(C)n2)n1	271375888	JRNALJDJXQRYNO-UHFFFAOYSA-N	311.396	1.815	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)C[C@H]1CCCCO1	270736838	WGSXSUUERXVOOF-LLVKDONJSA-N	324.402	1.591	50	20	DDGD	
O=C(NNC(=O)C1CCC1)C(=O)Nc1cc(F)ccc1Cl	274023543	CBZAPMMEPIHYOM-UHFFFAOYSA-N	313.716	1.365	50	20	DDGD	
O=C(NCCC1Cc2ccccc2C1)NNC(=O)C1CCC1	270053402	CTYZPUVUVLTZJN-UHFFFAOYSA-N	301.390	1.922	50	20	DDGD	
CCN1CCOC[C@H]1C(=O)NNc1cc(F)c(F)c(F)c1	372976191	IZCMNTQSURGXRT-NSHDSACASA-N	303.284	1.268	50	20	DDGD	
CC1CCN(C(=O)C(=O)NNc2nccnc2C2CCC2)CC1	286872200	DJLCZSIQVOJJHR-UHFFFAOYSA-N	317.393	1.446	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)[C@H]1CC(=O)N(CCOC)C1	281883681	XMCKSPQTXRFTPA-AWEZNQCLSA-N	319.405	1.495	50	20	DDGD	
C[C@H]1COCC[C@@H]1CNC(=O)NNc1ncnc2ccsc12	287050536	UHTGTHUNXDGNGJ-VHSXEESVSA-N	321.406	1.990	50	20	DDGD	
CCOC1CC(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)C1	287444196	NWRVXYVWHHUBPI-VOMCLLRMSA-N	324.352	1.556	50	20	DDGD	
COc1cccc(NNC(=O)N[C@@H](c2nncn2C)C(C)C)n1	286894038	LIGUYJYMUSMIMH-GFCCVEGCSA-N	319.369	1.242	50	20	DDGD	
Cc1cnn([C@H]2CCN(S(=O)(=O)CCCCCl)C2)c1	289441270	FAMCNSHLSQXGRO-LBPRGKRZSA-N	305.831	1.787	50	20	DDGD	
O=C(NC[C@@H]1CCCN1C1CCCCC1)NNc1cccnn1	281658679	XQNLSENTYOSNIA-AWEZNQCLSA-N	318.425	1.900	50	20	DDGD	
C[C@H]1Sc2ccc(C(=O)NNC(=O)C(C)(C)C)cc2NC1=O	298797160	HFPNRIMNTWXHQL-MRVPVSSYSA-N	321.402	1.926	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCSC1)c1cc(Cl)ccc1O	809991915	FPVCRYGWMHMTCI-MRVPVSSYSA-N	314.794	1.950	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccc(C(C)=O)o2)cc1	802053083	VSWBTRRZGNHWPY-UHFFFAOYSA-N	317.301	1.957	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CCn2ccnn2)c1C	801600105	BTUAFTAFYMNTPI-UHFFFAOYSA-N	318.406	1.303	50	20	DDGD	
CC[C@](C)(C#N)C(=O)NNc1ccccc1S(=O)(=O)N(C)C	294521914	FFPRZQDFZAUJMB-CQSZACIVSA-N	324.406	1.320	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cc(Cl)ncc1Br	290054302	SAGCWHDBRYZDIM-UHFFFAOYSA-N	318.558	1.669	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H]1CCCCN1C(C)=O	803032520	UWGWKBVGTICOGU-CQSZACIVSA-N	319.361	1.317	50	20	DDGD	
COc1ccc(NNC(=O)c2cnc(S)[nH]2)c([N+](=O)[O-])c1	800693505	UFJKVMKAJQLGID-UHFFFAOYSA-N	309.307	1.372	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2cc(C)ns2)cc1	806994919	JMUFZDUQYZQFPV-UHFFFAOYSA-N	306.347	1.542	50	20	DDGD	
O=C(NNc1cccnc1Cl)c1cnc2[nH]c(O)nc2c1	809713321	MJLJVIZIRVKSPC-UHFFFAOYSA-N	304.697	1.469	50	20	DDGD	
N#Cc1cc(O)cc(C(=O)NNc2cc(C#N)cc(Cl)n2)c1	809742969	OXKMRVROMFARAA-UHFFFAOYSA-N	313.704	1.941	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C(Cn1cccn1)C(C)C	802711037	LXNJJIUKXJMBTR-UHFFFAOYSA-N	307.398	1.316	50	20	DDGD	
O=C(COc1ccc([N+](=O)[O-])cc1)NNc1cccc(F)n1	804766059	HSJROSPEBKCHRC-UHFFFAOYSA-N	306.253	1.651	50	20	DDGD	
Cc1nn(C)c(Br)c1C(=O)NNC(=O)C1CCC1	801154814	AOMHGEZGZKKGBQ-UHFFFAOYSA-N	315.171	1.052	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H]1CCN(c2ccccc2Cl)C1	809982850	QZQVQWPMHADURE-NSHDSACASA-N	309.797	1.970	50	20	DDGD	
NC(=O)c1cccc(OCCC(=O)NNc2cccc(F)n2)c1	804764951	FOMIOQICGKAEBY-UHFFFAOYSA-N	318.308	1.232	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)c1ccc(Cl)cc1O)C1CC1	292251927	HGFNRTZPRZATFR-CQSZACIVSA-N	312.753	1.622	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1cc(F)cc2nc(S)[nH]c12	294087672	IGKOMXBZMQBRIK-UHFFFAOYSA-N	308.338	1.552	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)N[C@H]1CCN2CCCC[C@H]12	297496905	WQYWWZHIGFULLB-NWDGAFQWSA-N	311.336	1.613	50	20	DDGD	
Cc1ccc(SCCNC(=O)NNC(=O)[C@@H]2CCCO2)cc1	291776719	WCBSASMSLGDKOQ-ZDUSSCGKSA-N	323.418	1.597	50	20	DDGD	
CCCOc1ccc(C(=O)NN(C)C(=O)NCC)c(OC)c1	297068885	JJIXGEDMSMPPSA-UHFFFAOYSA-N	309.366	1.790	50	20	DDGD	
CCOc1ccc(NNC(=O)CCn2cc([N+](=O)[O-])cn2)cc1	294245693	GTNUGNCLYIJCIR-UHFFFAOYSA-N	319.321	1.723	50	20	DDGD	
CC(=NNC(=O)c1cc(Br)c[nH]1)c1ccc(N)nc1	814779703	BEVYPFIIHMJTDL-UHFFFAOYSA-N	322.166	1.908	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CC2CCC1CC2	814494736	XYULELHNASILEX-ABXWRUBCSA-N	324.421	1.938	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1)c1c[nH]nc1C	814767520	ZKBAAPCAVOIZQW-UTUOFQBUSA-N	321.425	1.304	50	20	DDGD	
COc1nccnc1NNC(=O)c1cncnc1-c1ccccc1	811074546	QEZPENUAYQCAJD-UHFFFAOYSA-N	322.328	1.699	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)c2cc(Br)c[nH]2)CC1(F)F	817512192	GHLGKYFXFIJOAF-VIFPVBQESA-N	322.109	1.584	50	20	DDGD	
CC(=O)NN=Cc1cn(-c2ccccc2Br)nn1	811628824	AAFKGYKZGPECPS-UHFFFAOYSA-N	308.139	1.500	50	20	DDGD	
O=C(NNc1ncncc1F)[C@@H]1CC(=O)N(c2ccccc2)C1	817078094	SGQRSFKIAQYORA-SNVBAGLBSA-N	315.308	1.112	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=S)NCC2CCC2)s1	727869270	MHZKRSNQUZCENT-UHFFFAOYSA-N	311.432	1.860	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc2c(c1)C(=O)CCCC2	817348442	LOBMDUJHWIKEGA-UHFFFAOYSA-N	319.361	1.785	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)Nc1ccc(N(C)C)cc1)C1CC1	813574884	JABZXRMVHQYICA-MRXNPFEDSA-N	320.393	1.720	50	20	DDGD	
CCc1ccc([C@H](C)CC(=O)NNC(=O)c2ccnnc2)cc1	817693918	QHTJVRFREGKXFP-GFCCVEGCSA-N	312.373	1.994	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(OCc2ccccc2)nc1	823965990	XGXCCKIPQJHYBT-CYBMUJFWSA-N	315.373	1.618	50	20	DDGD	
CCN(CCO)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F	823874031	KNIDOABGFKYKQZ-UHFFFAOYSA-N	313.329	1.357	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2ccn(C)n2)cc1	727365689	MEKYQIJWHFFYST-UHFFFAOYSA-N	304.375	1.282	50	20	DDGD	
C[C@H]1Cc2cc(C(=O)NNC(=O)NCc3ccco3)ccc2O1	823793035	JEVKSUYYFMUVGJ-JTQLQIEISA-N	315.329	1.747	50	20	DDGD	
CCOC(=O)N[C@H](C(=O)NNC(=O)CC(C)(C)C)C(C)C	491142412	UFRCGHKKFDOBJZ-NSHDSACASA-N	301.387	1.341	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)[C@H]1c1ccccc1	827289643	UNJBJSXKNHEASF-QHSBEEBCSA-N	317.389	1.845	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)c1cc(Br)c[nH]1	491773534	RWUJSBINXFLRAB-UHFFFAOYSA-N	320.150	1.371	50	20	DDGD	
Cc1ccn2cc(C(=O)NNC(=O)Cc3cccnc3)nc2c1	728852441	AMQGLJQLZAALLK-UHFFFAOYSA-N	309.329	1.041	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)C1CCOCC1	824039875	IWYLYGCUAWNQGF-SNVBAGLBSA-N	316.365	1.373	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@H](c2ccco2)C1	827299219	MOAXBZCZKLTKTD-SRVKXCTJSA-N	307.350	1.235	50	20	DDGD	
Cn1ncc(Cl)c1C(=O)NNC(=O)C(C)(C)c1ccccc1	826926178	AHXJGAVCMZMCSQ-UHFFFAOYSA-N	320.780	1.812	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(C)n(-c2ccccc2Cl)n1	823874619	VSUSENBPCOOTAI-UHFFFAOYSA-N	322.796	1.793	50	20	DDGD	
C[C@@H](O)C[C@H](CNCc1cccc(B(O)O)c1)c1ccccc1	585029485	ZNMCABMLGXNWPW-RHSMWYFYSA-N	313.206	1.011	50	20	DDGD	
CN(C)CC(=O)NN=Cc1ccc(OC[C@@H]2CCCO2)cc1	727647672	BUQMVTXDLFFSFU-HNNXBMFYSA-N	305.378	1.256	50	20	DDGD	
CCOC(=O)NNC(=O)c1cn(-c2ccccc2CC)nn1	496649441	WGKDNFHFKAHVJJ-UHFFFAOYSA-N	303.322	1.221	50	20	DDGD	
C[C@@H]1CCC[C@@H](C)C1N(C)C(=O)c1ccc(B(O)O)c(F)c1	584942534	SMOSIIBUNXSORW-GHMZBOCLSA-N	307.174	1.402	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@](C)(CC)CNC(=O)OC(C)(C)C	493983730	YCSNKYSDZCBANM-AWEZNQCLSA-N	317.386	1.705	50	20	DDGD	
C[C@@H]1C(=NNC(=O)c2ncon2)CCCN1Cc1ccccc1	901285857	LPRIEPDMYRMROH-GFCCVEGCSA-N	313.361	1.840	50	20	DDGD	
CC(=O)NNC(=O)Cc1ccccc1NC(=O)OC(C)(C)C	496598454	DBPCNDVSSOWTBZ-UHFFFAOYSA-N	307.350	1.743	50	20	DDGD	
OB(O)c1cccc(CN[C@@H](c2ccc(F)cc2F)C2CC2)c1	585025696	AJFVWFRAEGYAQY-QGZVFWFLSA-N	317.144	1.886	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)CSc1ccncc1	731491027	AGNDKKFCCKDKCN-UHFFFAOYSA-N	317.370	1.644	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNC(=O)CC2CCCC2)nc1	825670061	HETSTBLVZJJHDF-UHFFFAOYSA-N	319.361	1.600	50	20	DDGD	
CCC(=O)N1CCCN(C(=O)[C@@]2(C)C[C@H]2Br)CC1	906351276	PDXQTJZHEBOCHS-MFKMUULPSA-N	317.227	1.631	50	20	DDGD	
CC[C@@H](C#N)C(=O)NNC(=S)Nc1ccc(OC)c(F)c1	822653713	ZNYCBLSXZMUWHH-QMMMGPOBSA-N	310.354	1.702	50	20	DDGD	
Cn1cnc2cc(/C=C(\C#N)C(=O)N=c3cc[nH]cc3)ccc21	490811693	GYZSWAVDRPHRPJ-MDWZMJQESA-N	303.325	1.936	50	20	DDGD	
O=C(c1cc(Cl)cc2cccnc12)N1CC[C@H](B(O)O)C1	585068490	BOIJDHLYBRALHU-JTQLQIEISA-N	304.542	1.577	50	20	DDGD	
C[C@H]1CCCC[C@H]1OCCNCc1ccc(B(O)O)cc1F	585015476	CVWYOXWRWKESDX-BLLLJJGKSA-N	309.190	1.190	50	20	DDGD	
C#CCCCC(=O)NNS(=O)(=O)c1cc(F)ccc1F	901966824	TVNFXTUDCTYJGU-UHFFFAOYSA-N	302.302	1.078	50	20	DDGD	
COc1ccc(/C=C/C(=O)N2CC[C@H](B(O)O)C2)cc1Cl	585069135	LIECIGDNGOTMCK-TZNOJPMFSA-N	309.558	1.437	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(S)n1)c1cccs1	730587052	GUTJWAWEQJBPML-UHFFFAOYSA-N	308.388	1.615	50	20	DDGD	
CN(C)c1nc(C(F)(F)F)ccc1C=NNC(=O)C(F)F	901217138	LBEGEWKZNLBMRM-UHFFFAOYSA-N	310.226	1.882	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)NCC(C)(C)C(C)(C)C	838602010	OQZNBRKLZXHRCV-LLVKDONJSA-N	317.430	1.441	50	20	DDGD	
COc1ccccc1C/C(C)=C/C(=O)N1CC[C@@H](B(O)O)C1	585065930	KBYIBKMEVXXVGM-IEZBTEQYSA-N	303.167	1.259	50	20	DDGD	
O=C(NNc1ccc(Br)nc1)c1cccnc1O	732837325	XBHLLJBQJBSPHH-UHFFFAOYSA-N	309.123	1.702	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNc1ccc(C(=O)OC)c(F)c1	837052047	VCDQJZLMTGBUJS-CQSZACIVSA-N	323.368	1.930	50	20	DDGD	
CC(C)n1cc(CNC(=O)[C@@]2(C)C[C@H]2Br)nn1	908331844	GDFHRVRKWOADGU-KOLCDFICSA-N	301.188	1.649	50	20	DDGD	
OB(O)c1ccc(CNC2CC(F)(c3cccc(Cl)c3)C2)o1	585038779	GVALRBQHOASXSM-UHFFFAOYSA-N	323.560	1.730	50	20	DDGD	
CC[C@@](C)(C=NNC(=O)COc1ccccc1[N+](=O)[O-])OC	834927824	PMJUMKSHVBRKKH-AWEZNQCLSA-N	309.322	1.891	50	20	DDGD	
CN(C)[C@@H](C(=O)NNC(=O)c1ccc[nH]1)c1cccc(Cl)c1	732258291	QOPMFKKHMHRODG-CYBMUJFWSA-N	320.780	1.732	50	20	DDGD	
CCO[C@@H]1CCCC[C@H]1NC(=O)NNc1nccc(OC)n1	838728883	FACVQYGWVMWIKJ-GHMZBOCLSA-N	309.370	1.459	50	20	DDGD	
O=C(NNC(=O)c1sccc1-n1ccnn1)NC1CCCC1	837374200	WHDDKIVMDDAMNH-UHFFFAOYSA-N	320.378	1.215	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N(C1CC1)[C@H]1CCc2ccccc21	584940786	WQTVXURONUDPHQ-SFHVURJKSA-N	321.185	1.659	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)CCc2ccccc2)COC1	836633482	DRSVELXFJYVNSU-UHFFFAOYSA-N	305.378	1.376	50	20	DDGD	
Cc1ccc([C@H](O)[C@H](C)NC(=O)/C(C#N)=C/c2cnn(C)c2)cc1	832400782	NVASEHGTYDNGOA-WPEHCOSPSA-N	324.384	1.874	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)[C@H]1C[C@H]2CC[C@H]1O2	834952071	KSVNDLRJNZSWJF-IJLUTSLNSA-N	321.402	1.538	50	20	DDGD	
Cn1cc(Cl)c(CNC(=O)[C@@]2(C)C[C@@H]2Br)n1	908933181	OBEMFLWIVHPGIC-WPRPVWTQSA-N	306.591	1.863	50	20	DDGD	
C[C@H](CN1CCOCC1)N(C)C(=O)[C@]1(C)C[C@H]1Br	907835606	IHSPMSHCZOCMKK-NQBHXWOUSA-N	319.243	1.339	50	20	DDGD	
COC(=O)c1cc(NC(=O)[C@@]2(C)C[C@@H]2Br)cn1C	906916436	ZPVSXGAKJXIVOA-CABZTGNLSA-N	315.167	1.924	50	20	DDGD	
CCCCCOC1CCN(C(=O)c2ccc(B(O)O)cc2)CC1	584954798	ONLUEICWZOFOHA-UHFFFAOYSA-N	319.210	1.178	50	20	DDGD	
O=C(O)NCCCC(=O)NNC(=O)c1cc2ccccc2o1	832609247	SIBDYDPPKMAFAU-UHFFFAOYSA-N	305.290	1.242	50	20	DDGD	
O=C(O)COc1ccc(C(=O)NNc2cccnc2Cl)cc1	833253813	XWVIQTWBYHWTHK-UHFFFAOYSA-N	321.720	1.955	50	20	DDGD	
COc1ccc(C(=O)NN=C(C)Cc2cnccn2)cc1OC	834921176	SEYZUWCQPRBUBD-UHFFFAOYSA-N	314.345	1.842	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2nnc(O)c3ccccc23)[C@@H](C)O1	834926636	TVAZVWMKRFSPGY-RKDXNWHRSA-N	300.318	1.619	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1Cc2ccc(C(C)=O)cc2C1	839632199	GYKMMWYVCPPNFI-JTQLQIEISA-N	303.362	1.151	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1NC(=O)NNC(=O)c1ccc2c(c1)OCCO2	838760784	GIVOROISIHYGRV-NWDGAFQWSA-N	319.361	1.446	50	20	DDGD	
CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NN(C)C[C@H](C)O	910145130	QDEMOPYIXIRZAG-RYUDHWBXSA-N	317.430	1.366	50	20	DDGD	
CCn1nc(C)c(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1C	831605564	GJQQMAMGQKOLKJ-GHMZBOCLSA-N	309.370	1.098	50	20	DDGD	
COC[C@H]1CCCCN1CC(=O)NNC(=O)c1ccc(F)cc1	839616848	WCQSEDJHNIDPIG-CQSZACIVSA-N	323.368	1.088	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(Cl)nc(N2CCCC2)c1	910169045	WUGXKDPCXYCCII-SNVBAGLBSA-N	312.801	1.293	50	20	DDGD	
O=C(CCC[C@H](O)c1ccccc1)NNc1ncc(F)cn1	831351113	MCFRCHUSYVKUCB-ZDUSSCGKSA-N	304.325	1.963	50	20	DDGD	
O=C(NNc1nc(-c2ccccc2)no1)[C@H]1CC[C@@H](C(=O)O)C1	846708485	BTUHVNGPVCXJGR-WDEREUQCSA-N	316.317	1.681	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1ccc2c(c1)NC(=O)CO2	842554698	ILKWBEQAGZHDCZ-PWSUYJOCSA-N	317.345	1.283	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)c1cccc(C(C)(C)C)c1	847298058	JEOWADUZMNPXJK-UHFFFAOYSA-N	305.378	1.270	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H](C)c2ccco2)c1	741659195	CNZHQFYTANUWMH-LBPRGKRZSA-N	302.330	1.918	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NN(C)C[C@H](C)O)no1	910171028	QOMGZZVPDOIKOQ-JTQLQIEISA-N	305.334	1.308	50	20	DDGD	
COc1cccc(S(=O)(=O)NNC(=O)CC(C)(C)C)c1F	848452962	VYIXQSXJNRMURA-UHFFFAOYSA-N	318.370	1.580	50	20	DDGD	
CO[C@H](CC(=O)NNC(=O)Cc1ccccc1C)C(F)(F)F	844429871	VKFKPGQIPUPMQR-LLVKDONJSA-N	318.295	1.652	50	20	DDGD	
COc1cc(OC)c(C=NNC(=O)N2CCOCC2)c(OC)c1	745602738	NTSZXWKKTZPTEG-UHFFFAOYSA-N	323.349	1.088	50	20	DDGD	
N=C1NC(=O)[C@H](CC(=O)NNc2cccc3c2CCCC3)S1	748588782	OOUWLYAFHGIELN-LBPRGKRZSA-N	318.402	1.565	50	20	DDGD	
C[C@@H]1C[C@@H]1CNC(=O)NNc1ncc(Br)cn1	847288677	LZUGWXJPQWXFMS-RNFRBKRXSA-N	300.160	1.521	50	20	DDGD	
Cc1cc(C)n([C@H](C)CC(=O)NNC(=O)c2ccccc2)n1	915689378	JZWWPHGIGFHUNY-CYBMUJFWSA-N	300.362	1.912	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NC[C@H]2CCCCN2)cc1	841919626	BLLZQJWCBYKEDV-GFCCVEGCSA-N	321.381	1.173	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)c2cn(C(C)C)cn2)cc1	846375553	FOHBNQVOOWQESB-UHFFFAOYSA-N	316.361	1.936	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1	848081005	JTSXIAWOXQTTSK-UHFFFAOYSA-N	309.153	1.789	50	20	DDGD	
Cc1ccc(-n2ncc(C(=O)NN(C)C[C@@H](C)O)c2C)cc1	910174054	QFIRABILKMULJY-GFCCVEGCSA-N	302.378	1.447	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(C(F)(F)F)s1	843657774	RVZLBBXGLUAYNJ-NKWVEPMBSA-N	322.308	1.953	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)cc1	846376423	ZMHCKKHEIHDOAG-ZIBATOQPSA-N	306.362	1.659	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(O)nn2)c2ccccc2n1	917365455	UVVGJVROFLFMDB-UHFFFAOYSA-N	323.312	1.114	50	20	DDGD	
CCOc1ccc(NNC(=O)NCC[C@]2(O)CCCOC2)cc1	845720976	KABGPVQBAGIVFQ-MRXNPFEDSA-N	323.393	1.643	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1cc2c(nc1O)CCC2	749940759	LGLXIYMTNVMEHY-UHFFFAOYSA-N	303.362	1.617	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=S)NC(C1CC1)C1CC1	747670131	DMTAZUSUHCGJQA-UHFFFAOYSA-N	304.419	1.308	50	20	DDGD	
O=C(NNc1cc(F)c(F)c(F)c1)N[C@@H]1CCCNCC1	841978088	QPOABNXQEBFCOH-MRVPVSSYSA-N	302.300	1.872	50	20	DDGD	
C[C@H]1CCCN([C@H](C)CNC(=O)NNC(=O)C2CCCC2)C1	916450496	PWPPVUCYNRVNFQ-QWHCGFSZSA-N	310.442	1.627	50	20	DDGD	
C=C[C@@H](C)ONC(=O)NNC(=O)COc1cc(C)ccc1C	845638273	FRIWENNTRVPMDR-GFCCVEGCSA-N	307.350	1.519	50	20	DDGD	
Cc1c(C(=O)NN(C)C[C@H](C)O)cnn1-c1ccc(F)cc1F	910171270	VNCNXKVUPGNSHI-VIFPVBQESA-N	324.331	1.416	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2c(c1)CCCC2=O	843660960	NAXRHXCMQZIMFY-ZWNOBZJWSA-N	316.357	1.392	50	20	DDGD	
CCO[C@H]1CC(=NNC(=O)CN2CCCC2=O)C1(CC)CC	748245230	XZVCBDSYYPPELV-ZDUSSCGKSA-N	309.410	1.696	50	20	DDGD	
COc1ccccc1C(=O)NN=C1CCCC[C@H]1S(C)(=O)=O	741463534	DHVMQEZXPDNOME-CQSZACIVSA-N	324.402	1.768	50	20	DDGD	
CC(C)C[C@@H]1C[C@H]1C(=O)NNc1ccccc1S(N)(=O)=O	842255629	DSYKEVQFZTZZFH-GHMZBOCLSA-N	311.407	1.459	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccc2c1OCCCO2	845296900	PJAWREHYOZADJE-UHFFFAOYSA-N	307.350	1.592	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)CCCn2ccnc2)c1	748604490	JIDQVCZMYWVCNJ-UHFFFAOYSA-N	315.377	1.191	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CC[C@H](C2OCCO2)C1	927991428	JJMRUKUSRBEGEM-FYQHACEVSA-N	314.341	1.521	50	20	DDGD	
CC(C)c1ncncc1C(=O)NNC(=O)c1ccc(C#N)cc1	747173096	NFBIAZTUJSSXKD-UHFFFAOYSA-N	309.329	1.546	50	20	DDGD	
CC(C)(C)c1n[nH]c(CNS(=O)(=O)CCCCCl)n1	841539554	OLFLXOVJWDRZPF-UHFFFAOYSA-N	308.835	1.541	50	20	DDGD	
CCc1n[nH]cc1C(=O)NNc1ccc(CC(=O)OC)cc1	846370399	JOVRAKOEJHMKNR-UHFFFAOYSA-N	302.334	1.445	50	20	DDGD	
CC(C)(C)NC(=O)CCNC(=O)NNc1ccc(Cl)nc1	745804456	BYYYHKMLPFXMAN-UHFFFAOYSA-N	313.789	1.666	50	20	DDGD	
COCCOC[C@H](C)NC(=O)NNc1cc(F)ccc1F	920488235	QJHNNZHLRFJIIW-VIFPVBQESA-N	303.309	1.642	50	20	DDGD	
O=C(CO)NNC(=O)Nc1cccc(Oc2ccccn2)c1	756821906	WOPUITDGSQCZKH-UHFFFAOYSA-N	302.290	1.019	50	20	DDGD	
CCn1cnnc1CNC(=O)NC[C@@]1(C)C[C@H]1Br	856719349	QEWFMECGDAHISP-LDYMZIIASA-N	316.203	1.271	50	20	DDGD	
CNC(=O)NN=Cc1ccc(Br)c([N+](=O)[O-])c1	920379323	UJUDXYAJKDTOEF-UHFFFAOYSA-N	301.100	1.620	50	20	DDGD	
CCOC(=O)NCCC(=O)NC[C@]1(C)C[C@@H]1Br	857397884	JKRPHAOOQAXDEW-KWQFWETISA-N	307.188	1.412	50	20	DDGD	
COCCn1cc(CNC[C@@]2(C)C[C@H]2Br)cn1	856807227	MHYKBUDNFFXKIK-VXGBXAGGSA-N	302.216	1.793	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)NCc1cnc(Cl)cn1	921534785	XPPIFAOLSZHLAS-UHFFFAOYSA-N	312.222	1.814	50	20	DDGD	
CCc1nc(C=NNC(=O)C(=O)Nc2ccccn2)cs1	755769916	QWJUICJVBYXZLD-UHFFFAOYSA-N	303.347	1.189	50	20	DDGD	
CC[C@H](CNC(=O)NNC(=O)c1cn[nH]c1)CC(F)(F)F	858540037	UBXRPKPTHRRBQJ-ZETCQYMHSA-N	307.276	1.332	50	20	DDGD	
C[C@H](C(=O)NNc1nc(-c2ccccc2)no1)[C@@H]1CCC(=O)N1	859316180	ODHVCFCRIIKCFZ-ONGXEEELSA-N	315.333	1.094	50	20	DDGD	
Cc1cc(C)cc(CC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c1	854516710	PPOKQKQAVWKTJP-HNNXBMFYSA-N	324.446	1.338	50	20	DDGD	
CNC(=S)N(C)NC(=O)Cc1ccc([Si](C)(C)C)cc1	854921314	PIUOBCBECMWYFT-UHFFFAOYSA-N	309.511	1.242	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CCC([C@H]2CCCCO2)CC1	852594416	MWBOBADMFHGNFG-GXTWGEPZSA-N	311.426	1.213	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H](CN1CCCC1)c1ccccc1	854920568	DNKRNGWMHGEGSE-AWEZNQCLSA-N	320.462	1.333	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(OCC(F)(F)F)nc1	854926878	OAVXXBXRRRGVQH-UHFFFAOYSA-N	322.312	1.104	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CC(F)(F)F)cc1OC	755374586	WBCFLTUPCKEVOI-UHFFFAOYSA-N	321.255	1.809	50	20	DDGD	
CC[C@H](CN1CCCC1)NC(=O)NNC(=O)CC(F)(F)F	758848188	IJQWXYJHDWMUPT-SECBINFHSA-N	310.320	1.144	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)c2cnccn2)cc1F	756142745	IGWAHVCUGDTSAJ-UHFFFAOYSA-N	319.296	1.481	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)c1cc(OC)cc(OC)c1	751546894	FSSPALFXZMMZLL-JTQLQIEISA-N	310.350	1.280	50	20	DDGD	
O=C(NCCc1cccc([N+](=O)[O-])c1)NNc1ncccn1	759681741	ZMIWTQGVGMRLGM-UHFFFAOYSA-N	302.294	1.254	50	20	DDGD	
Cc1nnccc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	752994097	NWHDYTRLZKKVMI-SNVBAGLBSA-N	318.308	1.153	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)C[C@@H]1CC[C@@H]2C[C@H]12	855825338	BIRCMISBZKJLGU-AGIUHOORSA-N	323.437	1.513	50	20	DDGD	
Cc1cc(C)cc(C[C@H](C)NC(=O)NNC(=O)c2cn[nH]c2)c1	858253397	SHLAXVPZQQQLFP-LBPRGKRZSA-N	315.377	1.602	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NN=CCC1CCOCC1	853408372	PBVMFQAQSLEEBL-UHFFFAOYSA-N	311.426	1.848	50	20	DDGD	
O=C(NNC(=O)c1snnc1C1CC1)OCC(F)(F)F	856019054	NUVAEXJZFILHMC-UHFFFAOYSA-N	310.257	1.349	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1F	855626879	QMYKTTVIZKFYRS-NXEZZACHSA-N	319.296	1.714	50	20	DDGD	
CC(=O)[C@H]1CC(C(=O)NNC(=O)C(C)C)=NN1c1ccccc1	751295339	XBQRXZDNJGKQBW-CQSZACIVSA-N	316.361	1.014	50	20	DDGD	
Cn1ccnc1[C@@H]1OCCC[C@H]1C=NNC(=O)c1ncccn1	853357779	LMQJQVOICIBYNT-NWDGAFQWSA-N	314.349	1.094	50	20	DDGD	
C[C@@]1(CNC(=O)NNc2ncccn2)C[C@H]1Br	856951218	RINPQQHUVKPBLN-XCBNKYQSSA-N	300.160	1.276	50	20	DDGD	
C[C@@H](Cc1ccccc1)n1cccc1C(=O)NNC(=O)CO	753452276	NMAHRVNCUKDPTB-LBPRGKRZSA-N	301.346	1.045	50	20	DDGD	
O=C(N[C@@H]1CCOC[C@H]1O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	863366981	DCTRTFOTHLCNCS-FTEPDLOASA-N	318.211	1.206	50	20	DDGD	
CCC[C@H](C)N1C[C@@H](C(=O)NN=c2cc[nH]c(C)c2)CC1=O	862510796	TXJCYDOUCRAPDR-STQMWFEESA-N	304.394	1.292	50	20	DDGD	
CCSc1ccc(C(=O)NNC(=O)Cc2cc(C)[nH]n2)cn1	869012076	FOYXNYCWDJLYPL-UHFFFAOYSA-N	319.390	1.229	50	20	DDGD	
CC(C)CS(=O)(=O)CCC(=O)NN[C@@H](C)C(F)(F)F	862310029	QYMWJGDXJRXBKU-QMMMGPOBSA-N	304.334	1.019	50	20	DDGD	
COc1cccc(S(C)(=O)=O)c1NNC(=O)c1cccnc1	768641210	OCBFIIYREDICOX-UHFFFAOYSA-N	321.358	1.251	50	20	DDGD	
CC(=NNC(=O)CS(C)(=O)=O)c1ccc(OC(C)C)cc1	863188968	UDSQBDJEGQDBNY-UHFFFAOYSA-N	312.391	1.359	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)CN2CCCCCCC2=O)c1	862477429	JQHNTPBNFYXPIN-UHFFFAOYSA-N	323.418	1.610	50	20	DDGD	
O=C(NN=Cc1ccc(-n2cncn2)cc1)c1ccc(O)cc1	863950687	IALYWXIRKNXBSG-UHFFFAOYSA-N	307.313	1.737	50	20	DDGD	
Cc1ccc(C)c2c1CCCC2=NNC(=O)C(=O)NC(C)C	769778975	YHTBVQGVNHXTAL-UHFFFAOYSA-N	301.390	1.985	50	20	DDGD	
COc1cccc(CC(=NNC(=O)C(N)=O)c2ccccc2)c1	764656877	CHFODICWYFSNJH-UHFFFAOYSA-N	311.341	1.244	50	20	DDGD	
CN(CC(=O)NNc1nc(-c2ccccc2)no1)C1CCC1	863865661	WTWGZZNDEQOEFS-UHFFFAOYSA-N	301.350	1.664	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(C#N)c2)CCO1	769715784	XYUYMTRPLHEBNC-GWCFXTLKSA-N	302.334	1.070	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2cc(Cl)ccc2[N+](=O)[O-])CN1	1117847749	NWGYAMZOEWXNLR-SSDOTTSWSA-N	312.713	1.218	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1O)c1ccccc1O	768929169	DGEAAMSOCKJDQQ-UHFFFAOYSA-N	317.257	1.081	50	20	DDGD	
CNC(=O)NN=Cc1ccc(Br)cc1[N+](=O)[O-]	767774721	AGCLISVYBKUFNU-UHFFFAOYSA-N	301.100	1.620	50	20	DDGD	
Cc1cscc1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	772167854	NFVDKRHVVZKXTM-SNVBAGLBSA-N	312.391	1.795	50	20	DDGD	
CC#CCCNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	776205881	QGLYKCWFRYQVKE-UHFFFAOYSA-N	303.406	1.947	50	20	DDGD	
Cc1cc(=NNC(=O)NC[C@@H]2CCOC3(CCC3)C2)cc[nH]1	875637084	JSNNHSSNDSMDPH-CYBMUJFWSA-N	304.394	1.787	50	20	DDGD	
COC(=O)N(C)NC(=O)NCC[C@@H](C)N(C)Cc1ccccc1	875333333	CCFUIIUKHFZGJW-CYBMUJFWSA-N	322.409	1.809	50	20	DDGD	
CC(C)[C@H](O)C(=O)NNC(=S)Nc1ccc(N(C)C)cc1	874952845	JEAWVASCHPWIQF-LBPRGKRZSA-N	310.423	1.087	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@@]1(C)CC(c2ccccc2)=NO1	873765822	QEPXYDUJKXEMSW-OAHLLOKOSA-N	318.402	1.251	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@H](OC)C(C)C)cn1	874954362	SLTHAIHJFSZJMD-LLVKDONJSA-N	312.395	1.079	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1cccc2c1OC(F)(F)O2	875751957	IEKWZDJCKYILKV-UHFFFAOYSA-N	317.248	1.421	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)CSc1cccc[n+]1[O-]	772833180	HHRNLRJWIYERPQ-UHFFFAOYSA-N	319.390	1.469	50	20	DDGD	
CCO[C@H](C(=O)O[C@H](C)C(=O)NNC(=O)CC)c1ccccc1	772041269	BZTJRTFBAXXMTN-RISCZKNCSA-N	322.361	1.253	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1cnc([C@@H](C)O)s1	773056343	VTXWZRKFFCCBPN-SNVBAGLBSA-N	319.386	1.898	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1ncnc2ccsc12)[C@H]1CCCO1	773557256	IGPJREQPNQZLRQ-MWLCHTKSSA-N	317.374	1.498	50	20	DDGD	
C=Cn1cc(C=NNC(=O)[C@H](C)CN2CCCCCC2)cn1	773025050	MRCOIINVCQBMES-CQSZACIVSA-N	303.410	1.946	50	20	DDGD	
O=S(=O)(CCCCCl)NC[C@@H](CO)Cc1cccnc1	882329924	MGINAQGPXLQDGT-ZDUSSCGKSA-N	320.842	1.171	50	20	DDGD	
C[C@@H](CNC(=O)NNc1nc(O)c2cnn(C)c2n1)C(C)(C)C	770396156	NHHRFXXGOMVMKE-QMMMGPOBSA-N	321.385	1.377	50	20	DDGD	
CCS(=O)(=O)c1ccccc1C(=O)NNc1cnccn1	775281114	QIWZNUXCURKGHB-UHFFFAOYSA-N	306.347	1.027	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)Cn2ccc3ccccc32)CO1	784091986	SVROXNXLHIGMEV-AAEUAGOBSA-N	301.346	1.214	50	20	DDGD	
CN(NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1ccccc1	789829425	NHZKBNJXCVYHFN-ZDUSSCGKSA-N	301.390	1.945	50	20	DDGD	
Cc1cc(N2CCC(NC(=O)NNc3ccccn3)CC2)n[nH]1	784129057	GCQGXHAVYYURJY-UHFFFAOYSA-N	315.381	1.408	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2CCCC23OCCO3)n1	889505925	GMZGXGZNGQLVTL-LLVKDONJSA-N	307.354	1.015	50	20	DDGD	
CN(NC(=O)C(=O)Nc1ccc(C#N)cc1F)c1ccccc1	783433275	MHDWYZPQACBLOG-UHFFFAOYSA-N	312.304	1.803	50	20	DDGD	
CSCc1cccc(NC(=O)C(=O)NNc2cccnn2)c1	784862980	SAIWSAHEOCYCNT-UHFFFAOYSA-N	317.374	1.421	50	20	DDGD	
COc1cccc(NNC(=O)c2cc(C)nc3[nH]nc(C)c23)n1	780772391	KLEINAKRNGNUTJ-UHFFFAOYSA-N	312.333	1.735	50	20	DDGD	
Cn1cnc(CNC(=O)NNC(=O)CCCc2ccccc2)c1	898629545	OKTHOEDYPZRWQG-UHFFFAOYSA-N	315.377	1.273	50	20	DDGD	
COC(=O)[C@H](CC(C)C)NC(=O)COC(=O)/C(C#N)=C\C1CC1	786665828	JAOOCFOBVHADMS-OTAKNEKHSA-N	322.361	1.093	50	20	DDGD	
COCCCNC(=O)/C(C#N)=C\c1cccc(C(=O)N(C)C)c1	899338419	PKHVIQSGXYDRLR-PTNGSMBKSA-N	315.373	1.448	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2C[C@@]23C(=O)Nc2ccccc23)nc(C)n1	895153682	KHQPQPFCFYQJSL-PXAZEXFGSA-N	323.356	1.447	50	20	DDGD	
CC(=O)N1CCC[C@H](CNS(=O)(=O)CCCCCl)C1	795263204	FCXYYHINFMXXRF-GFCCVEGCSA-N	310.847	1.183	50	20	DDGD	
Cc1cncc(CCC(=O)NNC(=O)c2ccc(C)cc2O)c1	794241865	PLKCBFBOWNXAHS-UHFFFAOYSA-N	313.357	1.798	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NC2CCC(C)(O)CC2)n1	792989190	XLKXBQXSIKWBCY-UHFFFAOYSA-N	306.366	1.028	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccn(CC(F)F)n1	790911150	OBRUNTQYNDOJIF-UHFFFAOYSA-N	306.276	1.781	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN[C@@H]2CSC[C@@H]2C)c1	796395638	QPWKZWCDBAOTFC-WCQYABFASA-N	307.419	1.097	50	20	DDGD	
Cc1cc(NC(=O)NNc2ncccc2C)ccc1-n1cnnn1	792232328	PQKGYVPWCJNEAS-UHFFFAOYSA-N	324.348	1.823	50	20	DDGD	
CC[C@@H](C)n1ncc(NC(=O)NNC(=O)c2cnccn2)c1C	792481749	MCWHUHHRJCGEDA-SECBINFHSA-N	317.353	1.419	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccnc1)c1cc(C)c(C)o1	799880528	DBEVHQVZDJDEQZ-UHFFFAOYSA-N	314.345	1.562	50	20	DDGD	
Cc1csc(NC(=O)NNc2ccc(-n3ccnc3)nn2)n1	796663853	MTVBCSJFNSEPSQ-UHFFFAOYSA-N	316.350	1.576	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cncn1-c1ccccc1	1319025467	MYLUOPZZDBMHJR-GXTWGEPZSA-N	314.345	1.058	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1ccc(-n2cccn2)c(F)c1	1318343577	KWOSEDWRWMLKCO-UHFFFAOYSA-N	304.325	1.819	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)CCNc2ccccc2)c1	1318264808	GOLQHKVCKGAPMO-UHFFFAOYSA-N	308.341	1.821	50	20	DDGD	
COC(=O)NCCCC(=O)NNC(=O)c1ccccc1Cl	1322564655	CCUHWTXSRDIPMS-UHFFFAOYSA-N	313.741	1.237	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@]1(C)COc2ccccc2O1	1328758284	SBENIXTYGDZKHA-CQSZACIVSA-N	309.391	1.120	50	20	DDGD	
CCn1ccnc1C(C)=NNC(=O)c1n[nH]c2c1CCCC2	1330721735	QISVCMDPVAWSEA-UHFFFAOYSA-N	300.366	1.659	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CCOC(C)(C)C2)nc1	1336416062	IEIVRSMHKOIOOG-JTQLQIEISA-N	307.350	1.517	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2CCc3nnc(O)n3C2)c(Cl)c1	1337303877	RWYNWHLTNAUDOT-VIFPVBQESA-N	321.768	1.651	50	20	DDGD	
CO[C@H]1CCC[C@@H]1C(=O)NNC(=O)Cn1ccc2ccccc21	1337068429	SODKSDMTAROLBF-ZFWWWQNUSA-N	315.373	1.604	50	20	DDGD	
CC(C)n1cc(C=NNC(=O)c2n[nH]c3c2CCCC3)nn1	1261128510	UCYQDEIZRAMOCN-UHFFFAOYSA-N	301.354	1.225	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNc1ccc(C(C)(C)C)nn1	1261362202	SAVBCUBZWQCOGG-JTQLQIEISA-N	307.398	1.365	50	20	DDGD	
COc1nc(Cl)c(C=NNC(=O)Cc2cccnc2)n1C	1261235929	NSNCAQDHADSBOR-UHFFFAOYSA-N	307.741	1.170	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N(C)Cc2ccn(C)n2)c1	1341131939	XIBNWQWKCAJXFU-UHFFFAOYSA-N	307.379	1.276	50	20	DDGD	
Cc1cc(C(=O)NNc2cccc([N+](=O)[O-])c2)oc1C(=O)O	1607579779	HFSLADZKKCSZRB-UHFFFAOYSA-N	305.246	1.951	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H](CC(F)F)C(=O)O	1601046387	UFLDSJDENWBMAC-GWZUUTHWSA-N	310.256	1.524	50	20	DDGD	
O=C(O)[C@H](CC1CC1)NS(=O)(=O)c1ccc(CCl)cc1	1608534784	PJMZYYXXRMMEJV-LBPRGKRZSA-N	317.794	1.957	50	20	DDGD	
CCO[C@H](CC)C(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1605590152	IMIQYTBTQVFXLV-SNVBAGLBSA-N	315.395	1.395	50	20	DDGD	
Cc1cnc(CNC(=O)NNc2ccc(CC(=O)O)cc2)s1	1607906990	UBDZNNYETRBFBM-UHFFFAOYSA-N	320.374	1.905	50	20	DDGD	
O=C(NC[C@@H]1CCCCCN1)NNc1ccc(C(=O)O)cc1F	1608437346	ZORFVRXDGYRUIU-NSHDSACASA-N	324.356	1.682	50	20	DDGD	
Cc1c(NNC(=O)c2ccc3nn[nH]c3n2)cccc1C(=O)O	1607553111	VPEKSWKYURJGFG-UHFFFAOYSA-N	312.289	1.116	50	20	DDGD	
Cc1cccc(S(=O)(=O)N2CC=C(C#N)CC2)c1C(=O)O	1607861237	SICVPFVHIYNPTC-UHFFFAOYSA-N	306.343	1.538	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNC(=O)c2ccccc2Cl)[nH]1	1608875034	HVHCFAJJQFZGLF-UHFFFAOYSA-N	307.693	1.441	50	20	DDGD	
O=C(NCc1ccccc1)NNC(=O)[C@@H]1CCC[C@H](C(=O)O)C1	1601542134	BQDKTYKKNLLYTC-OLZOCXBDSA-N	319.361	1.408	50	20	DDGD	
O=C(CCO)NNC(=O)Nc1cc(C(=O)O)c2ccccc2c1	1601280666	UXXQDNIPGRSSKW-UHFFFAOYSA-N	317.301	1.073	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2cc(C(=O)O)n(C)c2)n1	1610457076	FBPIRDOYNXCDRW-UHFFFAOYSA-N	304.310	1.279	50	20	DDGD	
Cn1cccc(NC(=O)NNc2cccc(C(=O)O)c2)c1=O	1610610095	UDYFFGIKZVXJAL-UHFFFAOYSA-N	302.290	1.232	50	20	DDGD	
CC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CC)C2	1800068046	ZECCTCCONADYHJ-FPYNETTCSA-N	316.829	1.413	50	20	DDGD	
CCn1nccc1[C@H]1OCCC[C@H]1C=NNC(=O)c1cn[nH]c1	1552672104	FGPSITZBHIITQH-FZMZJTMJSA-N	316.365	1.510	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNc1cc(Cl)ccn1)C(=O)O	1588825021	JMKMDXYKDBCDII-VIFPVBQESA-N	300.746	1.718	50	20	DDGD	
CC(=O)c1ncc(C(=O)NNc2ccc(CC(=O)O)cc2)s1	1589322967	ORDLRJVOXDERGT-UHFFFAOYSA-N	319.342	1.730	50	20	DDGD	
C=CCC(C)(C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	1588538032	FSCUXYVNSXWWAS-UHFFFAOYSA-N	314.349	1.230	50	20	DDGD	
C[C@@H](OC(=O)/C(C#N)=C\c1cnn(C)c1)c1ccc(C(=O)O)o1	1593480379	ASJVJRAPYKLBJN-QQCYMQAYSA-N	315.285	1.923	50	20	DDGD	
CCCN1CC[C@H](NC(=O)NNc2ccc(CC(=O)O)cc2)C1	1595906496	BKIWGFVTDDSYSN-AWEZNQCLSA-N	320.393	1.424	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)C23CC(C(=O)O)(C2)C3)nn1	1590492953	GYPQSAYZMZCDMK-UHFFFAOYSA-N	304.350	1.472	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)[C@H]2CC[C@H]2C(=O)O)cc1C	1591176801	ZWZBSBMOBRRNEF-QWHCGFSZSA-N	320.345	1.726	50	20	DDGD	
O=C(NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C1=CCCCC1	1593157573	QLBSMEWDHVODOU-UHFFFAOYSA-N	312.333	1.128	50	20	DDGD	
O=C(NCCC1CC=CC1)NNc1cccc(-c2nn[nH]n2)c1	1593061677	QVPMHAFZSGFQKL-UHFFFAOYSA-N	313.365	1.849	50	20	DDGD	
O=C(NN=Cc1ccn([C@H]2C[C@H](C(=O)O)C2)n1)C1CCCCC1	1776022539	UVSMGYUOMAGOHD-MQMHXKEQSA-N	318.377	1.949	50	20	DDGD	
CCC(=NNC(=O)c1cccc(C(=O)O)c1)c1cnn(C)c1	1776095267	OXIOZEGWZSOKLE-UHFFFAOYSA-N	300.318	1.662	50	20	DDGD	
C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2	1783920517	DUZBFSQAOUVSNJ-ZDUSSCGKSA-N	321.204	1.196	50	20	DDGD	
CC(C)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2	1795104375	WTFUOUDNQOHSHL-LFSVMHDDSA-N	320.792	1.157	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1ccncc1	158052108	LLJRICJVETYOMS-NEPJUHHUSA-N	317.295	1.925	50	20	DDGD	
O=C(C[C@@H]1CCCN1)NNc1nc(-c2ccc(Cl)cc2)no1	158061236	HHKVGTXRLPTWGX-NSHDSACASA-N	321.768	1.975	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1cnc(C(F)(F)F)nc1	160582925	OUSGFCXZKZKEAW-UHFFFAOYSA-N	304.272	1.693	50	20	DDGD	
CCC[C@H](C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)C(C)C	152680176	ZJYVPNUKWPGINE-OLZOCXBDSA-N	304.456	1.551	50	20	DDGD	
O=C(Cn1cc([N+](=O)[O-])ccc1=O)NNc1ccccc1F	153048885	CBCSFLKSPDDYJD-UHFFFAOYSA-N	306.253	1.039	50	20	DDGD	
Cc1cc(C)cc(NC(=O)C(=O)NNc2nc(C)cc(C)n2)c1	156256891	JGULMNPJQNZJAO-UHFFFAOYSA-N	313.361	1.792	50	20	DDGD	
CC(C)NC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1ccccc1	155417201	CHAAMPFMDQKAGC-ZDUSSCGKSA-N	318.377	1.030	50	20	DDGD	
COCCN(Cc1ccccn1)S(=O)(=O)CCCCCl	228327784	MIEIBYMGJQMMAV-UHFFFAOYSA-N	320.842	1.879	50	20	DDGD	
COC(=O)CCN(CC(C)C)S(=O)(=O)CBr	127182934	YRNBZHLRYPELSB-UHFFFAOYSA-N	316.217	1.190	50	20	DDGD	
CC(C)(C)[C@H](CC(=O)O)NS(=O)(=O)CBr	308897256	ZXIJTHZNKQULKR-LURJTMIESA-N	302.190	1.148	50	20	DDGD	
COCC[C@@H](CO)NS(=O)(=O)c1ccc(CCl)cc1	311406102	XACVEIKMNTWBBU-NSHDSACASA-N	307.799	1.101	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H](C)NC(=O)OCc1ccccc1	490557245	ZPOLAWXNXYKYSU-NSHDSACASA-N	307.350	1.105	50	20	DDGD	
CCN(CC(=O)NNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C	734418894	VVDCTBNKPMHSPS-UHFFFAOYSA-N	317.386	1.799	50	20	DDGD	
O=S(=O)(CCl)N(Cc1ccccc1)[C@H](CO)C1CC1	830944404	MNPCZERWGKKCJI-CYBMUJFWSA-N	303.811	1.786	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)C1=NO[C@@H](c2ccccc2)C1	103423172	MHGCYYZXVODBEB-OAHLLOKOSA-N	324.340	1.289	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@H]2CCCN(C(C)C)C2)n1	105275082	OHNCZFYDLXDGAG-GFCCVEGCSA-N	322.413	1.232	50	20	DDGD	
CC(=O)NCc1ccc(C(=O)NNc2nccnc2Cl)cc1	114896399	APWPKXQESHBUGG-UHFFFAOYSA-N	319.752	1.523	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H](C)CN2CCC[C@H](C)C2)n1	56785651	PPHFQZIFTQWMNU-SMDDNHRTSA-N	320.441	1.840	50	20	DDGD	
Cc1cc(NNC(=O)c2csc([C@@H]3CCCO3)n2)ncn1	178989209	UKXSCYQFGMTOSG-JTQLQIEISA-N	305.363	1.850	50	20	DDGD	
C=CCCC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C	102322438	UAMJGMLEYVGIET-UHFFFAOYSA-N	324.406	1.015	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@H]2CCC[C@H]2C)c1	104817954	GFMZOLJMTKYTNZ-OCCSQVGLSA-N	305.378	1.893	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@H]1Cc2ccccc2C(=O)O1	103198402	ALTWGSXBWGJEOT-GFCCVEGCSA-N	304.346	1.352	50	20	DDGD	
CC(C)(C)C(=O)N1CCC[C@H](C(=O)NNc2cnccn2)C1	114881007	IOCUKKKPVDLFLS-NSHDSACASA-N	305.382	1.204	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCCc2ccccc2C)n1	175187759	CSHXRSNNFFTZNF-UHFFFAOYSA-N	315.377	1.971	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1cnn(Cc2ccccc2)c1	302721287	XSFRKWLTWAGGOU-UHFFFAOYSA-N	323.356	1.345	50	20	DDGD	
CC(C)(C)n1ncc2c(=O)[nH]c(NNC(=O)c3ccoc3)nc21	111053573	FXQGJKKOUJVPOY-UHFFFAOYSA-N	316.321	1.225	50	20	DDGD	
C=CC(=O)NCc1ccc(C(=O)NNC(=O)NCCCC)cc1	64882650	KQYWFWLGVYDTIY-UHFFFAOYSA-N	318.377	1.233	50	20	DDGD	
O=C(NNC(=O)c1c(Cl)nc2ccccn12)NC1CCCC1	65919365	YKCFICHPYMFDRG-UHFFFAOYSA-N	321.768	1.874	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cccnc1N1CCCCC1	68455311	LYGMFCSPDMHSLC-UHFFFAOYSA-N	317.393	1.426	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1c2ccccc2CC[C@H]1C	179631685	DSRGBSZHANBWTR-IAQYHMDHSA-N	305.378	1.677	50	20	DDGD	
C[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1	39478597	YGTGUOSZCCLUAK-GFCCVEGCSA-N	311.341	1.266	50	20	DDGD	
Cc1nn(-c2ccccc2)c(C)c1CC(=O)NNc1ncccn1	123991162	COGTVPCUQABQML-UHFFFAOYSA-N	322.372	1.965	50	20	DDGD	
CC#CCCCC(=O)NNC(=O)CNc1ccc(OC)cc1	186379324	RWYUTDRREIBWSI-UHFFFAOYSA-N	303.362	1.448	50	20	DDGD	
CCOCCC(=O)NNC(=O)c1cc2ccccc2cc1O	76949105	SHCAPLGOSZFHMB-UHFFFAOYSA-N	302.330	1.733	50	20	DDGD	
N#Cc1cc(F)ccc1NC(=O)NNC(=O)Cc1ccncc1	186430459	BVLFCMLNKZEYEW-UHFFFAOYSA-N	313.292	1.488	50	20	DDGD	
O=C(NNc1cccc(Cl)c1)[C@@H]1COCCN1CC(F)F	188134273	LGJVSNZMIMEQPI-NSHDSACASA-N	319.739	1.749	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1cc(C)n[nH]1	77323958	FSDUAMLLQROYHW-UHFFFAOYSA-N	308.725	1.455	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1ncn(-c2ccccc2)n1	132460931	WBHORQCTAFVZAI-UHFFFAOYSA-N	303.322	1.437	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1cc(F)ccc1F	182742630	DEZPDSRYEKHCHX-UHFFFAOYSA-N	306.272	1.755	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc(OCC)c(OC)c1	43466358	CHOIJTXKMPZGNP-UHFFFAOYSA-N	309.366	1.838	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2ccc3[nH]ccc3c2)nc(C)n1	130352646	XVQGNRZYYTVTBI-UHFFFAOYSA-N	324.344	1.657	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)CCc1ccccc1C	77163968	NMSIUXICQIBBTB-UHFFFAOYSA-N	319.405	1.380	50	20	DDGD	
CO[C@@H](C)CC(=O)NNC(=O)c1cc2ccccc2cc1O	195488861	JQAQJLVYJCPQTH-JTQLQIEISA-N	302.330	1.731	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cc2c(cc1F)NC(=O)CC2	135007608	KJSMJMFIOVGPCZ-UHFFFAOYSA-N	307.325	1.518	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccc(-n2cnnc2)cc1	191904017	VYWCHTVBPCZCOH-UHFFFAOYSA-N	320.316	1.067	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1c[nH]nc1-c1ccccc1	191914250	CUJHHVJCWPHRCR-UHFFFAOYSA-N	319.328	1.876	50	20	DDGD	
Cn1cccc(NC(=O)NNc2cccc([N+](=O)[O-])c2)c1=O	92764955	QWAFDGNXEAWNPJ-UHFFFAOYSA-N	303.278	1.442	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)/C=C/c1ccc(C(N)=O)cc1	266939228	BDDAOLCQPRVKAS-RMKNXTFCSA-N	305.334	1.355	50	20	DDGD	
COc1ccccc1O[C@@H](C)CNC(=O)NNC(=O)C(C)(C)C	266775519	QNOOUKVZEJDNEJ-NSHDSACASA-N	323.393	1.839	50	20	DDGD	
C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NNC(=O)CN(C)C	263906869	HJMVEONMLJELJX-LBPRGKRZSA-N	321.421	1.460	50	20	DDGD	
O=C(NCCOc1ccc(Cl)cn1)NNC(=O)C1CCC1	268532185	IUWUZXZMOFACJH-UHFFFAOYSA-N	312.757	1.244	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](C)Cn1cccn1	266878151	ZNAJDYIMFQTDBU-JTQLQIEISA-N	309.801	1.754	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)C(C)(C)c2ccccc2)CCO1	271309937	WOFAHJZHDDFSIL-TZMCWYRMSA-N	319.405	1.862	50	20	DDGD	
COC(C)(C)CC(=O)NNC(=S)NCCc1cccs1	278879155	WCCDTDLRATWUQM-UHFFFAOYSA-N	315.464	1.601	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)[C@@H]1CCc2cn[nH]c2C1	287335112	YHOWKIHKOXGNHC-LLVKDONJSA-N	312.377	1.715	50	20	DDGD	
CO[C@@H](C)CN(C)C(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	286661415	XCQBNYFNFMUHEV-REPOHMLUSA-N	300.362	1.605	50	20	DDGD	
CC1=C(C(=O)NNc2ccccc2F)[C@H](C)n2ncnc2N1C	282934810	YPOAARFPUYGSPG-JTQLQIEISA-N	316.340	1.845	50	20	DDGD	
CC(C)(C(=O)NNC(=O)Cc1cccnc1)C1CCOCC1	280648059	FDDRUFRGIASYNT-UHFFFAOYSA-N	305.378	1.224	50	20	DDGD	
C=CC[C@H](CC)NC(=O)NNC(=O)COc1ccc(OC)cc1	281256241	GOXZPBLTCVROAI-LBPRGKRZSA-N	321.377	1.759	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NOC[C@@H](C)CC	291697696	DZWMHVCHCIDRAS-LBPRGKRZSA-N	323.393	1.936	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H](F)C(F)(F)F)c2ccccc21	809983954	YDAQMUUQCQNDRD-SNVBAGLBSA-N	317.242	1.840	50	20	DDGD	
Cc1noc(C)c1[C@H](C)CC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	294133646	GOXPPKFRVATJGV-PTRXPTGYSA-N	309.366	1.500	50	20	DDGD	
CCOc1ccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	296036894	AAROINKXQFGWSU-ZDUSSCGKSA-N	307.350	1.807	50	20	DDGD	
O=C(COc1ccc(F)cc1F)NNC(=O)N=c1cc[nH]cc1	802030859	UXNDXKVZQZHWEJ-UHFFFAOYSA-N	322.271	1.013	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H](C)[C@@H]1OCCc2sccc21	293581471	WKUZUGZFHUCPIM-SKDRFNHKSA-N	311.407	1.691	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(-n2ccnc2)nn1)c1ccccn1	804895728	NFJDBTIAFNAJTA-NSHDSACASA-N	324.348	1.445	50	20	DDGD	
CCNC(=O)NC1(C(=O)NCCSSC)CCCC1	803478377	DWIVTJXMENEOJV-UHFFFAOYSA-N	305.469	1.746	50	20	DDGD	
N#CC1(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)CCC1	802102520	SXRJTQPYBDTEGB-UHFFFAOYSA-N	302.290	1.262	50	20	DDGD	
CC(=O)Nc1cccc(NNC(=O)c2cnn3c2CCCC3)c1	293986608	SALHPCJERKTNOW-UHFFFAOYSA-N	313.361	1.935	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)cc1[N+](=O)[O-]	295306665	FLFDZKUTIVOGEY-GFCCVEGCSA-N	307.306	1.233	50	20	DDGD	
O=C(NNc1nnc[nH]1)C1(c2cccc(C(F)(F)F)c2)CC1	294092158	ZQVHBHHKXXLRTP-UHFFFAOYSA-N	311.267	1.998	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F)C(C)C	298065340	UPFILXHJMINHEM-DGCLKSJQSA-N	321.352	1.581	50	20	DDGD	
Cc1cccc2c1OC[C@@H](NC(=O)NNC(=O)C1CCC1)C2	291287971	PXNHBJPRJRBYLE-ZDUSSCGKSA-N	303.362	1.429	50	20	DDGD	
Cc1nn(C)c(C)c1OCC(=O)NN(C)C(=O)OC(C)(C)C	297605770	JKHVPLODTTXHJM-UHFFFAOYSA-N	312.370	1.314	50	20	DDGD	
COc1ccc(C=NNC(=O)N2CCOCC2)c(C)c1OC	807965703	HLTLYHSWSVGFTE-UHFFFAOYSA-N	307.350	1.388	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)Cn1ccc(O)nc1=O	812768277	NCLYDGJUUQMPSQ-UHFFFAOYSA-N	316.361	1.524	50	20	DDGD	
CNc1nc(C)cc(C(=O)NNc2nc3ccccc3n2C)n1	816577906	DTROVLMXKMFELC-UHFFFAOYSA-N	311.349	1.470	50	20	DDGD	
COc1ccccc1OCC(=O)NN=C(C)Cn1cccn1	814719363	LUEVDOQZXSPKTO-UHFFFAOYSA-N	302.334	1.463	50	20	DDGD	
Cc1ccc2ncc(C(=O)N(C)CC(Cl)Cl)c(=O)n2c1	816628801	KTHUDXYBXGFVPV-UHFFFAOYSA-N	314.172	1.879	50	20	DDGD	
Cc1nn(C)c(N)c1C=NNC(=O)Nc1ccc(C(=O)O)cc1	814859530	RVLRIAPGVUVMRY-UHFFFAOYSA-N	316.321	1.165	50	20	DDGD	
CO[C@H]1CCC[C@@H](C(=O)NNC(=O)COCc2ccccc2)C1	814411158	MTINSNLOFTUACJ-CABCVRRESA-N	320.389	1.556	50	20	DDGD	
COC(=O)c1cc(C=NNC(=O)COCc2ccccc2)on1	814855294	KMVXRMGYXULWBS-UHFFFAOYSA-N	317.301	1.128	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)Cn1c(=O)n(C)c2ccccc21	816627938	BPZPJKAVHUEEFL-UHFFFAOYSA-N	316.188	1.602	50	20	DDGD	
CCn1ccnc1C(=O)NNC(=O)c1ccc(Cl)cc1OC	813390494	ZBAVTWAZTVVNAI-UHFFFAOYSA-N	322.752	1.640	50	20	DDGD	
Cc1ccc(SCC(=O)NN=C2CCN(CCO)CC2)cc1	819804946	MELHQTYCIKYQNY-UHFFFAOYSA-N	321.446	1.647	50	20	DDGD	
Cc1ccc(CC(=O)NNc2nc(-c3cccnc3)no2)cn1	728077067	OBFUHFDXBLHKPT-UHFFFAOYSA-N	310.317	1.521	50	20	DDGD	
C[C@@H]1CCC[C@H]1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	824925441	CTUDUMXLUSURRF-BXKDBHETSA-N	314.349	1.064	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(N(C)C)nc2ccccc12	823939677	NTCMLSMXRSXYQO-NSHDSACASA-N	302.378	1.258	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc(C[C@H](C)C(=O)OC)cc1	495311621	HLRWNLXQQAHUPS-JTQLQIEISA-N	323.349	1.821	50	20	DDGD	
Cc1cncc(/C=C\C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1	826318948	HHHLYCZJRFLKHW-WAYWQWQTSA-N	321.344	1.727	50	20	DDGD	
CO[C@H](CNC(=O)NNc1cccc(-c2nn[nH]n2)c1)C(C)C	821676707	FTAVOZWGBRNVLF-GFCCVEGCSA-N	319.369	1.164	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)C1(C(=O)C2CC2)CC1	827317351	SOQLBFFXCSDMCB-UHFFFAOYSA-N	314.267	1.698	50	20	DDGD	
CCCC[C@@H]1CCCC1=NNC(=O)[C@H](C)NS(C)(=O)=O	728433356	DLCBZPJUBKGBCG-WDEREUQCSA-N	303.428	1.387	50	20	DDGD	
C#C[C@@H](C)NC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	820439714	CCJCORHCAJPJIU-YPMHNXCESA-N	303.362	1.423	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)CCCc2ccccc2)CO1	825886057	SXJVPUWEVCRULI-GXTWGEPZSA-N	305.378	1.517	50	20	DDGD	
COc1ccc(CC(=O)NNC(=O)CC(C)C)cc1[N+](=O)[O-]	727676718	IRKNPDWXIJJJMH-UHFFFAOYSA-N	309.322	1.339	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@H]2CC23CCOCC3)cc(C#N)n1C	491086861	VLSZSAUVEKKIFS-KAMPRCONSA-N	324.384	1.797	50	20	DDGD	
CCCN(NC(=O)[C@H](CC)C(=O)OC)C(=O)OC(C)(C)C	495696721	UGSXCXXGXBZDBD-JTQLQIEISA-N	302.371	1.864	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1	823967681	GWEAQDIIIWTWNC-UHFFFAOYSA-N	311.298	1.738	50	20	DDGD	
CN(NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1)C(N)=O	494741735	HAVFVHJZWBRYFM-UHFFFAOYSA-N	322.365	1.618	50	20	DDGD	
COC(=O)NNC(=O)c1cc(Br)c2c(c1)OCO2	495408721	UAOBUSYIPNGAGE-UHFFFAOYSA-N	317.095	1.179	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F	495066334	KNZBRKMWRBDLBT-UHFFFAOYSA-N	319.220	1.587	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H]2CC(=O)N(C)C2)cc1	490637938	LBKVWODLFFFKGO-MQJVFOOVSA-N	313.357	1.339	50	20	DDGD	
O=C(N[C@@H](C1CCCC1)C(F)(F)F)c1ccc(B(O)O)cc1	584960907	NPZRSEAHOLKWOT-LBPRGKRZSA-N	315.100	1.217	50	20	DDGD	
Cc1oc(-c2cccs2)nc1CC(=O)NN(C)[C@H](C)CO	823977409	WHJDPPNPLCGTGU-SECBINFHSA-N	309.391	1.598	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCCc2ccn(C)n2)cc(C#N)n1C	490873388	DHCNKJHMLZRHQU-ZSOIEALJSA-N	322.372	1.205	50	20	DDGD	
CCCCC[C@H](O)C(=O)NNc1cccc(S(C)(=O)=O)c1	828597618	KAZXPWNXEQAARV-ZDUSSCGKSA-N	314.407	1.474	50	20	DDGD	
CN(C)CCn1ccc(NC(=O)[C@]2(C)C[C@@H]2Br)n1	820103020	PELRFQBGSIJHNI-JOYOIKCWSA-N	315.215	1.557	50	20	DDGD	
COC(=O)N1CCC(=NNC(=O)Cc2ccc(F)cc2)CC1	490710009	HFSUTNXDRXTJFQ-UHFFFAOYSA-N	307.325	1.703	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)C[C@@H]1CC[C@H]2C[C@@H]12	823179969	BQXHJTUANOJLIW-SDDRHHMPSA-N	304.346	1.355	50	20	DDGD	
CCC[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1ccccn1	825916292	FHXGNEZATMIXES-OBJOEFQTSA-N	320.393	1.678	50	20	DDGD	
C[C@]1(C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)C[C@H]1Br	907270796	NCSOTJLPIGEFBD-JQEORGNBSA-N	315.211	1.287	50	20	DDGD	
O=C1CSC[C@@H](C(=O)NNc2cc(Cl)nc(Cl)c2)N1	823292354	FIXWVHRBLWZGTI-LURJTMIESA-N	321.189	1.063	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CCS[C@@H]2C)cc1	828525458	ROVSBYPYGXQVOU-DGCLKSJQSA-N	323.418	1.598	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)Nc1c[nH]nc1C(=O)O	902236279	RAJSYMSYHCZIQO-SSDOTTSWSA-N	304.144	1.856	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2cc(O)cs2)cc1	732259023	YCTHMTHQFZEEEE-UHFFFAOYSA-N	306.343	1.602	50	20	DDGD	
Cc1c(C(=O)NN(C)[C@H](C)CO)cnn1-c1ccc(F)cc1F	823971219	QSOJCYZFCGPVRZ-SECBINFHSA-N	324.331	1.416	50	20	DDGD	
O=C(NN[C@H](C(=O)O)c1ccccc1)[C@@H]1Cc2ccccc2O1	738506957	PTOLVJOZFAZTIL-GJZGRUSLSA-N	312.325	1.437	50	20	DDGD	
O=C(N1CC[C@@H](B(O)O)C1)C1(Cc2cccc(F)c2)CCC1	585063530	BKFICBQBOXBQSN-CYBMUJFWSA-N	305.158	1.614	50	20	DDGD	
OB(O)c1ccc(CNC[C@H]2CCCO[C@@H]2c2ccccc2)o1	585018613	NFUWZMCJYDTNOV-RHSMWYFYSA-N	315.178	1.217	50	20	DDGD	
CNC(=O)/C(C#N)=C/c1ccc(OC)c(O)c1Br	490877497	MFYFQBPHJDCZHP-VMPITWQZSA-N	311.135	1.816	50	20	DDGD	
CCOCCOCc1cccc(NC(=O)NNC(=O)O)c1C	830016959	DCDVFLBPQCZGLZ-UHFFFAOYSA-N	311.338	1.852	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(C(=O)OC)c(Cl)c1	496818504	JJZRMCPOSJEUJV-UHFFFAOYSA-N	301.686	1.519	50	20	DDGD	
C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccc(B(O)O)cc1	584967936	DRUKDIMKZVZWCP-SJKOYZFVSA-N	309.174	1.420	50	20	DDGD	
NCCCCCCNC(=O)NNC(=O)CCc1ccccc1	831257077	NMXFMOMWTYELSF-UHFFFAOYSA-N	306.410	1.469	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)N[C@@H](C)C[C@H](C)N)c1	831197980	XMBLWFAJWVUUAF-STQMWFEESA-N	322.409	1.138	50	20	DDGD	
CC1(C)CCC[C@@](O)(c2nc(-c3ccc(B(O)O)cc3)no2)C1	585051901	OHQCKRISGVNKEH-INIZCTEOSA-N	316.166	1.204	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CC=C(c3ccc(F)cc3)CC2)o1	585033710	JCLDXQUTJLLNJA-OAHLLOKOSA-N	315.153	1.824	50	20	DDGD	
Cc1cnc(CCNC(=O)NNc2nc(C)cc(C)n2)cn1	836684015	CERADAZYWHFSFN-UHFFFAOYSA-N	301.354	1.061	50	20	DDGD	
COc1ccc2c(c1F)NC(=O)C2=NNC(=O)CC(F)(F)F	834942501	RLQQXPATANAZLA-UHFFFAOYSA-N	319.214	1.559	50	20	DDGD	
CC(C)NC(=O)CCCC(=O)NNc1cccc(C(=O)O)c1	833502727	USCGCHHEYPOMSI-UHFFFAOYSA-N	307.350	1.523	50	20	DDGD	
CN(C)C(=O)C1(CNC(=O)NNC(=O)C2CCCC2)CCCC1	733659064	UEVUJIBQWYFIIQ-UHFFFAOYSA-N	324.425	1.156	50	20	DDGD	
O=C(NCCc1ccc(C(=O)O)cc1)NNc1ccc(F)cn1	739430119	OCZRRSJASQILIV-UHFFFAOYSA-N	318.308	1.788	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@]2(C)CCCCO2)cc1	837604237	MYARIAKZHPRBDN-HNNXBMFYSA-N	307.350	1.807	50	20	DDGD	
O=C(NNC(=O)[C@]1(Cl)C[C@H]2CC[C@H]1O2)Nc1ccccc1	908050444	YKBGYPWOHBUFBA-GYSYKLTISA-N	309.753	1.768	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2snnc2C)c1	731541920	GIAYCGZVUBHAOB-UHFFFAOYSA-N	307.404	1.786	50	20	DDGD	
O=C(c1ccc(F)cc1OC(F)F)N1CC[C@H](B(O)O)C1	585070771	FKFXANTTYFWGMN-ZETCQYMHSA-N	303.045	1.116	50	20	DDGD	
CCc1ncncc1C(=O)NNC(=O)c1ccccc1OC	731491214	HNFHYDNBXZXNJS-UHFFFAOYSA-N	300.318	1.122	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H](C)C(C)C)cc1	733581475	ZTKIJZHRDOLZHE-LBPRGKRZSA-N	306.362	1.591	50	20	DDGD	
COc1cccc(CCC(=O)NNc2cnccn2)c1OC	734245482	HJWBLPMZOGFPPA-UHFFFAOYSA-N	302.334	1.570	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CC[C@@H](OC)[C@H](C)C1	836291624	FZIYFTAUJAAJCL-DGCLKSJQSA-N	321.377	1.406	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-]	836481463	LHKIPJDLMQSDOX-UHFFFAOYSA-N	300.702	1.521	50	20	DDGD	
CC(C)SCC(=O)NNc1ccccc1S(C)(=O)=O	732301491	BATXARHQBIHWDJ-UHFFFAOYSA-N	302.421	1.675	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1cc2c(cn1)CCC2	836702938	TTZRZPMZYBNGJT-UHFFFAOYSA-N	302.256	1.675	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(OC)CCCCCC1	910218422	PSXKQYWMJVYPFT-LLVKDONJSA-N	314.382	1.215	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1ccccc1F	916362035	HNZFAIZYVFIJIX-GFCCVEGCSA-N	307.369	1.634	50	20	DDGD	
CC(C[C@@H]1CCCC(=O)N1)=NNC(=O)c1ccc(Cl)nc1	841619089	KMYMPJQTEMQMGU-NSHDSACASA-N	308.769	1.900	50	20	DDGD	
C[C@@H]1CC[C@H](CCC(=O)NNC(=O)c2cccc(C#N)c2)O1	743335632	WTLWKQVVYRIOSW-BXUZGUMPSA-N	301.346	1.667	50	20	DDGD	
CC1(C)CC[C@@H]1NCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	846954909	CKMXZPNKYAETFB-LBPRGKRZSA-N	320.349	1.134	50	20	DDGD	
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NNc1ncccn1	913044195	YTNVQYSQWMXHSW-UHFFFAOYSA-N	302.294	1.208	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@H]1CCCNCC1)c1ccccc1	841977748	JCGQVWMOJFJIMF-GJZGRUSLSA-N	318.421	1.653	50	20	DDGD	
O=C(NNC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)NC1CCCC1	744053899	CXRUITFCFZEUKQ-FOSCPWQOSA-N	307.394	1.655	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1ccccc1OCC(=O)O	916355721	XNWAOYWEEKBTCP-UHFFFAOYSA-N	321.377	1.332	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NC[C@]2(C)CCCNC2)c1	841969486	CUWSECUORQJGOT-MRXNPFEDSA-N	320.393	1.489	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2ccc3c(c2)CCCO3)n[nH]1	843841787	FWDAGIPZZOKBRC-UHFFFAOYSA-N	314.345	1.047	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H](C#N)CCc1ccccc1	843973179	XFMMHTHCIDDYPC-AEGPPILISA-N	315.373	1.331	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Nc1ccccc1)C(=O)OC(C)(C)C	840445222	OVDWSWMODZDZMA-JTQLQIEISA-N	307.350	1.817	50	20	DDGD	
CC[C@@H](C(=O)NNC(=S)NC[C@@H]1CCOC1)c1ccccc1	749700385	BKKCMSQFGAXXQM-GXTWGEPZSA-N	321.446	1.712	50	20	DDGD	
NNC(=O)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1	841915323	NZMNAAUCODFKLB-WDEREUQCSA-N	302.300	1.190	50	20	DDGD	
CCCNCCNC(=O)NNC(=O)c1ccc(Cl)cc1F	841960592	CCNQKXVHGSAMAK-UHFFFAOYSA-N	316.764	1.423	50	20	DDGD	
Cc1ccc(CC(=O)NN(C)C[C@H](C)O)cc1Br	910160856	OYSGVRBCQIRPAV-JTQLQIEISA-N	315.211	1.644	50	20	DDGD	
CO[C@@]1(C=NNC(=O)c2cccc(OC(F)F)c2)CCOC1	841623725	NBBWMNYHALJXAP-CQSZACIVSA-N	314.288	1.809	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNc1c(F)cccc1F)C(=O)O	848590022	LQCCNEJQDWZQSD-QMMMGPOBSA-N	301.293	1.948	50	20	DDGD	
O=C(NNC(=O)c1cc(F)cc2nccnc12)c1ccccn1	917515831	MJWHBKINXMWNON-UHFFFAOYSA-N	311.276	1.239	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)CCCNC(=O)C(C)(C)C	849298285	BTIPZCSCSVADKX-JTQLQIEISA-N	316.471	1.223	50	20	DDGD	
CSc1c(F)cc(NC(=O)NNC(=O)CCCN)cc1F	841182518	HMRADSYPYDWYPW-UHFFFAOYSA-N	318.349	1.578	50	20	DDGD	
COc1ccc(CNC(=O)NNc2ncccn2)c(OC)c1	918235267	PIUSGUKQVGWAJV-UHFFFAOYSA-N	303.322	1.320	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)C(=O)N2CCCC2)c(C)c1	748151710	LFTGSFJMYOXIGI-UHFFFAOYSA-N	320.418	1.243	50	20	DDGD	
O=C(NNC(=O)NC1CCCC1)Nc1ccc2c(c1)OCO2	743810777	KTOFQJLTJMIMAB-UHFFFAOYSA-N	306.322	1.694	50	20	DDGD	
COc1ccc2ccccc2c1C=NNC(=O)C(=O)NC(C)C	744812005	AWXWNVRQBCCHQC-UHFFFAOYSA-N	313.357	1.823	50	20	DDGD	
N#Cc1cccc(NNC(=O)CSc2cccc[n+]2[O-])c1	748032921	QJRKZLURVZEYER-UHFFFAOYSA-N	300.343	1.427	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)N[C@@H](C)CCCN	841999669	NPKJQUJKEAXRGO-LBPRGKRZSA-N	322.409	1.086	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)C#CC2CC2)cc1	841376057	PYBHSQGBJHUNCQ-UHFFFAOYSA-N	303.387	1.816	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)N=c1cc[nH]cc1)[C@@H]1CC1(C)C	841593620	IIRZIIGPQASGHO-NWDGAFQWSA-N	305.382	1.664	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1c[nH]c2ccc(F)cc12	843650270	AIPHOALDOCGWFD-CABZTGNLSA-N	319.336	1.422	50	20	DDGD	
CCC(=O)NN=Cc1cc(Cl)c(OCC(N)=O)c(OC)c1	745985019	XVSOXZBJWGDNKH-UHFFFAOYSA-N	313.741	1.073	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2ccc(-n3cccn3)nc2)c1	748046376	PHEGGNOXUAILCF-UHFFFAOYSA-N	304.313	1.896	50	20	DDGD	
CON(C)C(=O)[C@@H](C)NC(=O)NNc1cc(Cl)ccc1C	923481119	WNBYGBHDMRDWBX-SECBINFHSA-N	314.773	1.683	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H]2CCC(=O)C2)c1	843751791	CJCRTBCGKLWKNS-LBPRGKRZSA-N	304.346	1.199	50	20	DDGD	
C=C[C@@H](C)ONC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	845639136	OIFMDTGNYZHPFZ-ZJUUUORDSA-N	311.313	1.430	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)Cc2cccc3ccccc23)C1	843759505	PXLKISZRYRBYCM-CQSZACIVSA-N	310.353	1.899	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2cc(Cl)ccc2Cl)CN1	752811271	JINAAHYABIFAAH-SSDOTTSWSA-N	302.161	1.963	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@H](F)Cc2ccccc2)n1	753458246	YBVJGGCSDZTIQX-SECBINFHSA-N	309.732	1.736	50	20	DDGD	
CC(=NNC(=O)COc1cc(C)cc(C)c1)c1cnn(C)c1	920826165	MDEPZRHQKUGFDC-UHFFFAOYSA-N	300.362	1.956	50	20	DDGD	
CC(=O)NNC(=O)c1ccc(F)cc1NC(=O)c1ccoc1	920430456	SUBUVILNZXJURY-UHFFFAOYSA-N	305.265	1.452	50	20	DDGD	
CCCC[C@@H](COC)NC(=O)NNC(=O)c1cccc(F)n1	852122023	DOHFFGKBMNAINU-JTQLQIEISA-N	312.345	1.370	50	20	DDGD	
COc1ccnc(NNC(=O)c2cccn2Cc2ccncc2)n1	751320868	AULFLHACHARDOX-UHFFFAOYSA-N	324.344	1.487	50	20	DDGD	
C[C@]1(CNC(=O)c2nc[nH]c3nccc2-3)C[C@@H]1Br	857390398	XXMCOHMBWOKKQM-QPUJVOFHSA-N	309.167	1.813	50	20	DDGD	
CSSCCNC(=O)[C@@H](C)n1cnc2c(N)ncnc21	854393685	IWVHKLGEISWQDF-SSDOTTSWSA-N	312.424	1.097	50	20	DDGD	
Cc1ccncc1/C=C/C(=O)NNC(=O)OCC(F)(F)F	856022670	KOJIOQHEUBGNJU-NSCUHMNNSA-N	303.240	1.723	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCN(C)c3ccccc32)o1	750779058	ZCFHFYXVRDXZBW-CYBMUJFWSA-N	313.357	1.973	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1ccn(CC(F)F)n1	756866673	AIUOKAJMVFSIFN-UHFFFAOYSA-N	315.202	1.253	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1cccc(C(=O)OC)c1C	855625211	MJHKEDHIMANKLU-UHFFFAOYSA-N	321.377	1.531	50	20	DDGD	
COCCCOCCC(=O)NC[C@]1(C)C[C@@H]1Br	857389886	ULRKYXWCXNXKFL-JQWIXIFHSA-N	308.216	1.719	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)C2(N(C)C)CC2)c1C	854217853	OVRPJECDKKRNPZ-CYBMUJFWSA-N	319.405	1.312	50	20	DDGD	
O=C(NCCCc1nc[nH]n1)NNc1c(F)cccc1Cl	923137562	UIPLSKHSPSVVRV-UHFFFAOYSA-N	312.736	1.856	50	20	DDGD	
CC(=O)N1CCC(C(=O)NNc2ccc([N+](=O)[O-])cc2F)CC1	855620760	AYJCKKBYJVKAGQ-UHFFFAOYSA-N	324.312	1.436	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2NC(=O)O[C@H]2C)c1C	854186765	VXZLRDHLPPUWSE-GXSJLCMTSA-N	322.390	1.118	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c(C)n1C	859344265	ROTGIVRWZJCAEU-UHFFFAOYSA-N	315.329	1.445	50	20	DDGD	
CN1CC[C@H](C(=O)NNC(=O)Cc2cccnc2)c2ccccc21	750776915	ZQFSCGPVNGDDHI-HNNXBMFYSA-N	324.384	1.395	50	20	DDGD	
CCNC(=O)C(C)(C)CNC(=O)NNc1cc(F)ccc1C	853879955	HRBILBJFGYBABR-UHFFFAOYSA-N	310.373	1.923	50	20	DDGD	
CCOCC(=O)NN=C1CC[C@H](C(F)(F)C(=O)OCC)C1	752731565	YGYKGNRIUJGLRV-VIFPVBQESA-N	306.309	1.494	50	20	DDGD	
CCOCCOCCCC(=O)NNc1nccnc1Cl	857127086	MOUXTWJMKMOCDX-UHFFFAOYSA-N	302.762	1.406	50	20	DDGD	
COc1ccc(OCCCC(=O)NNC(=O)c2cc[nH]n2)cc1	855363090	YDRWAHKAKDQDJI-UHFFFAOYSA-N	318.333	1.039	50	20	DDGD	
CC(C)(C)OC(=O)N1CCc2ccc(C=NNC(N)=O)cc2C1	853256473	RDZPPURQXMDJNK-UHFFFAOYSA-N	318.377	1.982	50	20	DDGD	
CC(=O)OCC(C)(C)CC(=O)NNc1ncc(Cl)cn1	857357235	LMHWPJQCTRUSEB-UHFFFAOYSA-N	300.746	1.553	50	20	DDGD	
CC[C@H](CN1CCCC1)NC(=O)NNC(=O)OC(C)(C)C	758849147	UDKGUSDXPBNJAI-LLVKDONJSA-N	300.403	1.600	50	20	DDGD	
CCc1cc(Br)ccc1NNC(=O)c1cnn[nH]1	753184768	MQBISNSPZYYMLN-UHFFFAOYSA-N	310.155	1.887	50	20	DDGD	
C[C@H](CCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)CC(C)(C)C	858379680	IKWLASBDZRUDGX-MNOVXSKESA-N	312.414	1.058	50	20	DDGD	
C[C@]1(CNC(=O)N2CCC[C@H](CO)C2)C[C@H]1Br	856951561	XOXZNDRBBYKMOR-HOSYDEDBSA-N	305.216	1.574	50	20	DDGD	
COC1(C(=O)NNC(=O)COc2cc(C)ccc2C)CCCC1	754155732	KNWPVDQNPBSBGV-UHFFFAOYSA-N	320.389	1.789	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)[C@H]2CC23CCC3)cc1	759805543	RXSURXRBOOWNEW-CQSZACIVSA-N	302.374	1.965	50	20	DDGD	
CCC1(C)CCC(=NNC(=O)[C@@H]2CCS(=O)(=O)C2)CC1	751520330	HQLLYKBXBXRPTA-YNODCEANSA-N	300.424	1.884	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2cn(C3CC3)nn2)c1	860525824	AEHUZLMHQXJWSD-UHFFFAOYSA-N	303.713	1.290	50	20	DDGD	
CC1(c2cc(NC(=O)NNC(=O)c3cn[nH]c3)no2)CCCC1	861025698	CFAWMUJBKOOOGP-UHFFFAOYSA-N	318.337	1.696	50	20	DDGD	
COC(=O)c1c(C)[nH]c(C(=O)NN=c2cc[nH]c(C)c2)c1C	862509702	RJYYZVGQUVFFAM-UHFFFAOYSA-N	302.334	1.300	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2CCCN2C(=O)NC(C)C)n1	862521894	BCVHPAWYTVXRCE-LBPRGKRZSA-N	305.382	1.416	50	20	DDGD	
COc1cc(C(=O)NN=c2cc[nH]c(C)c2)cc(OC)c1OC	862507811	DFIIEABRGWBCAT-UHFFFAOYSA-N	317.345	1.595	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2C[C@H]3[C@H](N(C)C)[C@H]3C2)cc(C#N)n1C	861910036	XTRMFWHHQYPRDO-FDIDUBCTSA-N	323.400	1.131	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@H](C)Cn2ccc(C)n2)c1	869385973	VTBBDNWFTYQYCI-JTQLQIEISA-N	306.391	1.659	50	20	DDGD	
Cc1cc(=NNC(=O)[C@H](NC2CCOCC2)C(C)C)cc[nH]1	863935408	UMQFESABSKIVPB-OAHLLOKOSA-N	306.410	1.048	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C2CSCCc3ccccc32)N1	863148187	VZVGFTRMXBQFDC-GFCCVEGCSA-N	303.387	1.075	50	20	DDGD	
COc1ccnc(NNC(=O)c2ccc(-c3cc[nH]n3)s2)n1	761484653	YGIOSCVYAGGDPD-UHFFFAOYSA-N	316.346	1.694	50	20	DDGD	
CCn1nc(C(=O)NNc2ncnc3ccsc23)ccc1=O	766676429	KMPPZXUERKFCPS-UHFFFAOYSA-N	316.346	1.025	50	20	DDGD	
C[C@H](C(=O)NNc1cc(F)c(F)c(F)c1)[C@@H]1CCC(=O)N1	860329321	SLKGMPZIGADMCX-WKEGUHRASA-N	301.268	1.462	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1ccc(C(F)(F)F)s1	761766263	FQCKTRRNGNAKMA-UHFFFAOYSA-N	319.308	1.839	50	20	DDGD	
CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NNc1cccc(C)n1	862524907	XFOGLGYKNMSFSZ-INIZCTEOSA-N	324.384	1.807	50	20	DDGD	
CCn1cnnc1CNC(=O)NNc1ccc(C(C)(C)C)nn1	1116090128	FUNZZOSBBNPPKK-UHFFFAOYSA-N	318.385	1.212	50	20	DDGD	
CC(C)OC(=O)CCCNC(=O)NNC(=O)CC(F)(F)F	765906789	YACSSSGNYZZWAT-UHFFFAOYSA-N	313.276	1.001	50	20	DDGD	
CCc1nnc(CNS(=O)(=O)CC(C)(C)CCl)s1	867283454	IQKJLPSZCUYXBW-UHFFFAOYSA-N	311.860	1.785	50	20	DDGD	
CCOC1CC(O)(CNC(=O)[C@H](Br)C(C)(C)C)C1	769710386	WPNVRFIPKOVXCZ-QUNCOHTASA-N	322.243	1.842	50	20	DDGD	
CCNC(=O)NNS(=O)(=O)c1ccc2c3c(cccc13)CC2	872342979	IMBODBVBEWCNKR-UHFFFAOYSA-N	319.386	1.451	50	20	DDGD	
CN(C)C1(C(=O)NNC(=S)Nc2cccc(Cl)c2)CC1	873786390	QKSQKWYFSQAVEV-UHFFFAOYSA-N	312.826	1.752	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1ccc(CN2CCCC2=O)cc1	878291556	YFIYXQUVMJXGEV-UHFFFAOYSA-N	320.349	1.544	50	20	DDGD	
C[C@@]1(CNC(=O)N2CCCN(C=O)CC2)C[C@H]1Br	875758719	PLAYNSUZLAJHPP-PWSUYJOCSA-N	318.215	1.034	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)COCC2CC2)c1	874949901	HVMDJHKFORUNHS-UHFFFAOYSA-N	303.387	1.412	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@@H]1CCO[C@H]1c1ccccc1	879090412	VPLZLNORFFTDGC-LNSITVRQSA-N	305.378	1.052	50	20	DDGD	
CC(C)(C)C(=O)C(=O)NNC(=O)c1nc2ccccc2s1	874913151	FSUSZSLOIKOXES-UHFFFAOYSA-N	305.359	1.673	50	20	DDGD	
C[C@@]1(CNC(=O)CC2(C(=O)O)CCC2)C[C@H]1Br	872883377	NVHPNJRYEHXHDH-KCJUWKMLSA-N	304.184	1.921	50	20	DDGD	
CNC(=O)CCCCC(=O)NNc1oc(C(C)C)nc1C#N	779756018	YPBSNLPPWHWDOP-UHFFFAOYSA-N	307.354	1.419	50	20	DDGD	
CCOCC(=O)NN=Cc1cccc(Br)c1OC	774384033	AIQQGNMNWQKPPL-UHFFFAOYSA-N	315.167	1.944	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)c2cc3c(s2)CCC3)CCO1	776337451	RUISDZCZMDJOME-ONGXEEELSA-N	308.403	1.813	50	20	DDGD	
COC(=O)COCCNC(=O)NNc1cc(F)cc(Cl)c1	875847705	VQXVRZMZPGYIRO-UHFFFAOYSA-N	319.720	1.295	50	20	DDGD	
CCCN1CC[C@H](NC(=O)NNC(=O)c2ccccc2Cl)C1	1118633516	CYLFDKAPBVFOAW-NSHDSACASA-N	324.812	1.768	50	20	DDGD	
Cn1nc(Br)cc1NC(=O)NNC(=O)C(C)(C)C	879642338	NFNDWJQCVUBWJM-UHFFFAOYSA-N	318.175	1.381	50	20	DDGD	
O=C(NNc1ncccc1Cl)C(=O)Nc1ccc(F)cn1	773491094	UHXCTVKTBSNVFC-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NNc1ccnc(Br)c1	771547040	LQHMROPKNLYZPR-DTWKUNHWSA-N	300.156	1.712	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1ccsc1	771888082	CUSKQIVPZJRHAR-SNVBAGLBSA-N	312.391	1.416	50	20	DDGD	
O=S(=O)(CCCCl)NCCc1ccc2c(c1)CCO2	881896564	KKBYDCFGBCQDNT-UHFFFAOYSA-N	303.811	1.712	50	20	DDGD	
C[C@H](CBr)COC(=O)[C@@H]1CCCN(C(N)=O)C1	770317974	LRMZINCNSFWKFA-RKDXNWHRSA-N	307.188	1.351	50	20	DDGD	
COc1cc(C(=O)NN=C2COC[C@@H]2C)cc(OC)c1OC	884376285	CXHSKKWGZMQCAW-VIFPVBQESA-N	308.334	1.465	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCN1c1ccccc1)C1CCOCC1	883069863	YSRZDEJVEKRDKX-OAHLLOKOSA-N	317.389	1.229	50	20	DDGD	
CCCNC(=O)NNC(=O)COc1cccc(OCC(C)C)c1	772789579	GNHGPONRYMIWDJ-UHFFFAOYSA-N	323.393	1.841	50	20	DDGD	
CCS(=O)(=O)N[C@H](C)C(=O)NNc1ccc(Cl)cc1F	885106920	NCASOQHNUCHROW-SSDOTTSWSA-N	323.777	1.250	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)n1cc(-c2cc(F)ccc2F)nn1	881293131	KSKLBYSPMHVECE-MRVPVSSYSA-N	323.303	1.342	50	20	DDGD	
CCC1(CC)CCN(C(=O)NNC(=O)c2cccnn2)CC1	883852926	YGRCUKJUJYOORM-UHFFFAOYSA-N	305.382	1.733	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccnn1-c1ccccc1	883069568	NRPQASWAWMCLNM-UHFFFAOYSA-N	314.345	1.060	50	20	DDGD	
O=C(NCC[C@@H]1C[C@H]2C=C[C@H]1C2)NNC(=O)C1CCOCC1	883711747	WSVVMANKKDOWMU-FPMFFAJLSA-N	307.394	1.346	50	20	DDGD	
O=S(=O)(CCCCl)NCc1nc(-c2ccncc2)no1	881774496	UICHBOBSTCLCJK-UHFFFAOYSA-N	316.770	1.180	50	20	DDGD	
N#C/C(=C\C1CC1)C(=O)OCCN1C(=O)COc2ccccc21	786671907	XOBLDSGIYMWHAQ-UKTHLTGXSA-N	312.325	1.815	50	20	DDGD	
C[C@@H]1C[C@@H]2CC[C@H](C(=O)NNC(=O)CC(F)(F)F)CN2C1	1123903625	SSSGXFGUMBZFDQ-UTLUCORTSA-N	307.316	1.207	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)c1	787133638	HTOSDKIKQCHZQG-ZJUUUORDSA-N	309.341	1.569	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(F)c(F)c1)n1nnnc1C(C)(C)C	885113128	PHMRKVAJDPJDET-QMMMGPOBSA-N	324.335	1.953	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](C)N1CCc2ccccc2C1	887142980	HGBMEYZQCFLXNH-CQSZACIVSA-N	313.401	1.384	50	20	DDGD	
COc1ccc(NNC(=O)COc2ccc(C=O)cc2)nc1	781521312	ACKQDSMGWVXBDM-UHFFFAOYSA-N	301.302	1.425	50	20	DDGD	
CCOC(=O)C1(CNC(=O)NNc2cccc(OC)n2)CCC1	780026015	YZNWRXGJQJJCQF-UHFFFAOYSA-N	322.365	1.450	50	20	DDGD	
COC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=S)NC(C)(C)C)C1	899996066	FHTZQAWFHQKTIS-ZJUUUORDSA-N	315.439	1.260	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCN2CCC(C)(C)C2)c1	898588696	MXPULWJYEZETGX-UHFFFAOYSA-N	324.450	1.732	50	20	DDGD	
O=S(=O)(CCCCCl)NCCN1Cc2ccccc2C1	780726009	GXFRVZFVQVKMHD-UHFFFAOYSA-N	316.854	1.941	50	20	DDGD	
COc1cc(NC(=O)NN=c2cc[nH]cc2)cc(OC)c1OC	781024604	CTWFJSBRWZIWIZ-UHFFFAOYSA-N	318.333	1.678	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCC(C)CC1)c1cc(C)nn1C	788976591	GEVLZNWBMOJXJH-CYBMUJFWSA-N	319.453	1.937	50	20	DDGD	
Cn1cc(CNc2ccc(C(=O)NNC(=O)C3CC3)cc2)cn1	899936677	DMVFJUSBRBFMKC-UHFFFAOYSA-N	313.361	1.203	50	20	DDGD	
CC[C@H]1C[C@@H](CC(=O)NNC(=O)Cc2ccncc2)CCO1	781693159	JUOBNLIHYCKDPZ-KBPBESRZSA-N	305.378	1.367	50	20	DDGD	
Cc1cc(Cl)ccc1NC(=O)C(=O)NNc1ncc(F)cn1	784950650	WNVILRFNRWHYHS-UHFFFAOYSA-N	323.715	1.659	50	20	DDGD	
CCCC[C@@H](COC)NC(=O)NNc1ncncc1Cl	780990384	CEOMJZFFKSZJON-VIFPVBQESA-N	301.778	1.961	50	20	DDGD	
COCCn1cc(C(=O)NNc2nc(C)cc(C)n2)c(C)n1	782558448	NNJXVLDXCACDMO-UHFFFAOYSA-N	304.354	1.002	50	20	DDGD	
Cc1ccc(-n2[nH]c(C(=O)NN=c3cc[nH]cc3)cc2=O)cc1	781020461	WTIJEXQYDQPZIK-UHFFFAOYSA-N	309.329	1.048	50	20	DDGD	
COc1ccc(NNC(=O)c2cc3c(cc2O)OCO3)nc1	781515732	DNNTTZDADDQGSD-UHFFFAOYSA-N	303.274	1.281	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1cc2ccccc2c(=O)o1	797721307	CZQXWTHEUQAEJY-UHFFFAOYSA-N	323.308	1.192	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccc[nH]1)c1ccc2c(c1)OCO2	794212690	SXKFQTPENBJUET-VIFPVBQESA-N	301.302	1.308	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)[C@@H]1Cc2ccc(F)cc21	794901478	GOTYINFCPUUGER-OAHLLOKOSA-N	313.332	1.725	50	20	DDGD	
CC(C)n1ccc(NC(=O)C(=O)NNc2ccc(C#N)cc2)n1	797019788	JMLPRMFZKYGIHY-UHFFFAOYSA-N	312.333	1.417	50	20	DDGD	
O=C(Nc1cccc(F)c1)[C@H]1CSCN1C(=O)CCl	1319681436	AJZHTTZURVIVMJ-SNVBAGLBSA-N	302.758	1.905	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCC(=O)N1CCCCC1	41695724	UMXBBEZMWYVXDQ-GXDHUFHOSA-N	313.357	1.428	50	20	DDGD	
C[C@H](C(=O)NNC(=O)Cc1cc[nH]n1)c1ccc(F)c(F)c1	1323810681	DCCVFWQRAWPMKR-QMMMGPOBSA-N	308.288	1.182	50	20	DDGD	
CO[C@@H]1CCN(c2nnnn2C[C@]2(C)C[C@@H]2Br)C1	1335977438	QUIJIQMNMQKELW-YWVKMMECSA-N	316.203	1.072	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C(=O)Nc1cccc(C(C)C)c1	1262759991	QXSPKJMBLOIOKL-UHFFFAOYSA-N	315.373	1.699	50	20	DDGD	
C[C@]1(COC(=O)CCn2ccccc2=O)C[C@H]1Br	1344037224	ONMVYNUXEQECIJ-ZWNOBZJWSA-N	314.179	1.955	50	20	DDGD	
C[C@H]1COC[C@H]1NC(=O)NNc1cc(C(F)(F)F)ccn1	1340746350	GTEYYNZZYWZSIO-IONNQARKSA-N	304.272	1.761	50	20	DDGD	
COC1(OC)CC(CNC(=O)NNc2cccc(F)c2F)C1	1521322163	PXSPVANWWDXPRQ-UHFFFAOYSA-N	315.320	1.990	50	20	DDGD	
CCc1[nH]c(C=NNC(=O)Cc2ccncc2)cc1C(=O)O	1605770580	BUSFCFOVIZKVDA-UHFFFAOYSA-N	300.318	1.363	50	20	DDGD	
O=C(NN=c1cc[nH]c2cccnc12)Nc1ccc(C(=O)O)cc1	1601561745	XVQJKALZWHWNOP-UHFFFAOYSA-N	323.312	1.899	50	20	DDGD	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1cccc(F)c1C(=O)O	1606510525	QMPNOXXKBDVOEZ-JGVFFNPUSA-N	310.281	1.166	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=C1CC[C@H](C(=O)O)C1	1607975115	XMSVQQQHQKFWHU-NSHDSACASA-N	314.345	1.702	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2CCCCN(C)C2=O)cccc1C(=O)O	1600052203	DSYAXELVHDNYCK-LBPRGKRZSA-N	319.361	1.395	50	20	DDGD	
CCC(C)(C)N[C@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1609182937	MLPUOOSCPFVUIX-SNVBAGLBSA-N	317.397	1.477	50	20	DDGD	
CN(C)c1ncccc1C(=O)NNc1ccc(CC(=O)O)cc1	1606068966	LPBHVHPGTOKJHG-UHFFFAOYSA-N	314.345	1.532	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NN[C@H](CC)C(=O)O)cc1	1605697738	MWVZHLHZHKWULG-ZWNOBZJWSA-N	310.350	1.337	50	20	DDGD	
O=C(CC[C@@H]1C[C@H](C(=O)O)CO1)NNc1nc2ccccc2[nH]1	1608314263	QIALBIOVCTVDAQ-VHSXEESVSA-N	318.333	1.276	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc(-c2nn[nH]n2)c(F)c1	1603256431	FXILKOVRLNSQCO-UHFFFAOYSA-N	321.316	1.205	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NC[C@@H](CC(=O)O)C1CC1	1601046609	XGBFQFBLJFNCRB-SVSAJMPUSA-N	314.341	1.916	50	20	DDGD	
O=C(NNC(=O)C1CC1)Nc1cc(Cl)c(F)c(C(=O)O)c1	1610701019	ZPEBLJANZCJQLS-UHFFFAOYSA-N	315.688	1.740	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCO[C@@H]1c1nccn1C)c1ncc[nH]1	1550695800	FVWAJBJIZBBQFQ-RYUDHWBXSA-N	316.365	1.151	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@H]1C=NNC(=O)c1cnsn1	1552920396	NIGRALUNZVXFGK-CABZTGNLSA-N	320.378	1.155	50	20	DDGD	
CCC[C@](C)(N)C(=O)NNC(=S)NCCc1cccs1	1577328509	PVMOWBSEVRVDRK-ZDUSSCGKSA-N	314.480	1.303	50	20	DDGD	
Cc1nc2c(NC(=O)NNC(=O)CCCCCN)cccc2o1	1579869045	QETVUBVZRKOLEQ-UHFFFAOYSA-N	319.365	1.808	50	20	DDGD	
CC(C)C[C@H](CNC(=O)NNc1cccc(C#N)c1)C(=O)O	1588853267	VSKZLZQFIUUJKZ-GFCCVEGCSA-N	304.350	1.931	50	20	DDGD	
N[C@@H]1CC=C(C(=O)NNC(=O)c2cccc(OC(F)F)c2)C1	1580168541	LKHQVGSYUGZBLX-SNVBAGLBSA-N	311.288	1.097	50	20	DDGD	
N[C@@H]1CC=C(C(=O)NNC(=O)c2ccccc2Br)C1	1580168157	BYWIOZNSPKCWNM-SECBINFHSA-N	324.178	1.258	50	20	DDGD	
CC(C)[C@@H](C(=O)O)C(=O)NNc1cccc(C(F)(F)F)n1	1588807959	GPRZPYBFMZJWIK-SECBINFHSA-N	305.256	1.900	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cn(C)cn1)C2	1845164029	GTPNERSCAQKFSD-NSHDSACASA-N	324.812	1.255	50	20	DDGD	
N#CCSc1cccc(C(=O)NNC(=O)C2CCNCC2)c1	1580052417	KLYNBWLZECEFFB-UHFFFAOYSA-N	318.402	1.063	50	20	DDGD	
C#CCCC(=O)N1CC2(CCCN2C(=O)C(C)(C)CCl)C1	1841227886	IFGCNTVGQGRKHL-UHFFFAOYSA-N	310.825	1.868	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)O)O1	1597581128	OPIWCFDREOWOOJ-JKOKRWQUSA-N	306.362	1.879	50	20	DDGD	
CN(C)Cc1ccc(C(=O)NNc2ccccc2C(=O)O)o1	1598248909	PDIVLHGXIYCTFC-UHFFFAOYSA-N	303.318	1.796	50	20	DDGD	
Cc1cncc(CCC(=O)NNc2ccc(-c3nn[nH]n3)cn2)c1	1592299106	SZRZFBCGQHVGMG-UHFFFAOYSA-N	324.348	1.041	50	20	DDGD	
O=C(NNc1ccccc1F)Nc1ccc(-c2nn[nH]n2)cn1	1593166713	KLLDNDBSIZCEDP-UHFFFAOYSA-N	314.284	1.549	50	20	DDGD	
C=CCC(=O)N1CC2(CCCN2C(=O)[C@H](F)Br)C1	1845220507	WSJTUYZKQIAXSP-JTQLQIEISA-N	319.174	1.456	50	20	DDGD	
CCc1cc(C(=O)NNc2cccc(F)c2C(=O)O)cc(O)n1	1597430591	BIOIRQYLHJGLHO-UHFFFAOYSA-N	319.292	1.944	50	20	DDGD	
COc1ccc(C(=O)NN[C@@H](C(=O)O)c2ccsc2)cc1	1599483882	KWJTUKUKSGZUPU-GFCCVEGCSA-N	306.343	1.817	50	20	DDGD	
CC1(C)OCC[C@H]1CNC(=O)NNc1cccc(C(=O)O)c1	1593982214	QTOLZSRCFCSEEL-NSHDSACASA-N	307.350	1.826	50	20	DDGD	
CCCN(NC(=O)c1cc(C(=O)O)on1)C(=O)OC(C)(C)C	1595894737	UJRJUKKSAPCLFM-UHFFFAOYSA-N	313.310	1.665	50	20	DDGD	
O=C(O)CSCC(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	1595126877	GPDGCFXVCDGKLP-UHFFFAOYSA-N	319.726	1.509	50	20	DDGD	
CC[C@H](C(=O)NNc1ccc(CC(=O)O)cc1)N1CCCC1=O	1594735498	DDTISKAHLKXYEB-CYBMUJFWSA-N	319.361	1.158	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=Cc1ccc(O[C@H](C)C(=O)O)cc1	1776102285	LSDTZRQFUVSAJZ-LERXQTSPSA-N	320.345	1.414	50	20	DDGD	
Cn1cc(Cl)c(C=NNC(=O)c2cccc(C(=O)O)c2)n1	1776096009	GJRRXAGMLMGVSH-UHFFFAOYSA-N	306.709	1.536	50	20	DDGD	
COc1cc(C=NNC(=O)c2nccs2)ccc1C(=O)O	1776109379	GJERJOZOACMJBM-UHFFFAOYSA-N	305.315	1.614	50	20	DDGD	
CC(C)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl	1796806184	WMLNMFKSMZGURC-UTINFBMNSA-N	308.756	1.907	50	20	DDGD	
CCc1nn(C)c(Cl)c1C(=O)NNc1nc(C)cc(C)n1	158543460	UDWBKUHWKNUWMD-UHFFFAOYSA-N	308.773	1.800	50	20	DDGD	
COC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1Br	158723020	XGHSBNWRVMRHKU-UHFFFAOYSA-N	318.083	1.358	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)N[C@@H]1CCO[C@H](C2CC2)C1	163782561	UTGAXALNMPLZAQ-KGLIPLIRSA-N	303.362	1.588	50	20	DDGD	
Cc1ocnc1C(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	151103533	IHAXQZOKUWFFJU-UHFFFAOYSA-N	317.330	1.509	50	20	DDGD	
CC(C)OCCC(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1	151089493	ZXTXQUAFTOJJEN-UHFFFAOYSA-N	322.390	1.714	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cn1	152373522	WOGSMQSOIGZRBJ-JHJVBQTASA-N	304.394	1.788	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNC(=O)Cc2ccc(F)cc2)o1	152896576	GQBMFEGUNBQUQC-UHFFFAOYSA-N	320.276	1.209	50	20	DDGD	
CS[C@H](C)CNC(=O)NNC(=O)Cn1ccc2ccccc21	155665851	ZVKVARYUZBEBNT-LLVKDONJSA-N	320.418	1.723	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CCCNC(=O)C2CC2)c1	156325500	BVUYURDYFVMTPR-UHFFFAOYSA-N	309.341	1.584	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@@H]1Cc2ccccc2O1	7965092	ZBIJGBYZZLKASO-HNNXBMFYSA-N	314.316	1.519	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Nc2cc(C)nn2C)c1	52796663	KDLUYMWOKNGUJP-UHFFFAOYSA-N	317.349	1.269	50	20	DDGD	
Cc1ccc(NNC(=O)NCCN(C)Cc2ccccc2)nn1	106265813	WYQQIIZSMJNHLB-UHFFFAOYSA-N	314.393	1.543	50	20	DDGD	
Cc1ccc(C)c(SCC(=O)NNC(=O)c2c[nH]nc2C)c1	109995783	GREKDLXKUAGIHR-UHFFFAOYSA-N	318.402	1.888	50	20	DDGD	
C=CCNC(=S)NNC(=O)/C=C/c1c(C)nn(C)c1Cl	54867139	FAGACVBGBDUCEF-AATRIKPKSA-N	313.814	1.076	50	20	DDGD	
COCCn1nc(C)c(NC(=O)NNC(=O)C(C)(C)C)c1C	179570482	CTRLDNWMIDMAHG-UHFFFAOYSA-N	311.386	1.345	50	20	DDGD	
Cc1ccc(CN(CC(=O)NNC(=O)C2CC2)C(C)C)s1	112977705	ODOOYQYRLYZZLJ-UHFFFAOYSA-N	309.435	1.824	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)CC1CCCCC1	66571157	VXJQAYIDARHSOP-UHFFFAOYSA-N	314.389	1.995	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)Cn2ccc3ccccc32)nc1	179790241	WLAUCZSPUXNMDY-UHFFFAOYSA-N	324.340	1.966	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)N1CCOCC1)c1ccc(F)cc1	184137906	HEBCADVEMMYAKK-CYBMUJFWSA-N	309.341	1.392	50	20	DDGD	
O=C(CCC(F)(F)F)NNC(=O)[C@H]1COc2ccccc2O1	173055685	WCGQKJNTNVICBF-SNVBAGLBSA-N	318.251	1.316	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2oc(C)nc2C)c(C)c1	175186522	YDXTWVPALQLOLO-UHFFFAOYSA-N	316.361	1.781	50	20	DDGD	
CC[C@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1	23520186	HUBIFTAVELSFLB-VIFPVBQESA-N	312.753	1.690	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)NC1CCSCC1	67639470	QDMSNUUVVMWRKH-UHFFFAOYSA-N	309.391	1.535	50	20	DDGD	
CCc1ccc(CN(CC(=O)NNC(=O)C2CC2)C2CC2)cc1	112976905	IXLDTGRFWWDTNJ-UHFFFAOYSA-N	315.417	1.771	50	20	DDGD	
O=C(COc1ccc(Br)cc1)NNc1cnccn1	114879928	NIOMENVSRNIZGY-UHFFFAOYSA-N	323.150	1.761	50	20	DDGD	
Cc1ccc(OCCCC(=O)NNC(=O)CN(C)C)cc1C	175340361	PMPJTNLIZZQOLD-UHFFFAOYSA-N	307.394	1.171	50	20	DDGD	
O=C(CCCNC(=O)NNc1c(F)cccc1F)NC1CC1	118569665	UCWLFPOCWKGWPU-UHFFFAOYSA-N	312.320	1.650	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)CCOC[C@@H]2CCCO2)nn1	118527910	LWTCAKNBHQSCBB-LBPRGKRZSA-N	322.409	1.803	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)C1CCCCCCC1	172944418	XOKXFIZLYGZTPF-UHFFFAOYSA-N	311.426	1.799	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc2scnc2c1	184495976	SAVZXUOWYZWJQP-UHFFFAOYSA-N	320.374	1.428	50	20	DDGD	
CN(C)c1ccc(C(=O)NNC(=O)c2ccc(C#N)cc2)cc1	61633509	JKXWWAOEIJCIJK-UHFFFAOYSA-N	308.341	1.699	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCCSCCCO	183552082	PMPCDZJPQVHWDF-RAXLEYEMSA-N	308.378	1.964	50	20	DDGD	
CCc1c(C(=O)NNc2ccccn2)cnn1-c1ccccn1	181218857	PSWUKPUIPAWXKR-UHFFFAOYSA-N	308.345	1.982	50	20	DDGD	
O=C(NNC(=O)c1ccc(Cl)nc1)Nc1ccc(F)cn1	122696367	PQJOSMADJKSQDG-UHFFFAOYSA-N	309.688	1.736	50	20	DDGD	
Cc1ccc(F)c(OCC(=O)NNC(=O)c2ccc(C)o2)c1	125152198	BUGTWRDFQRHCEJ-UHFFFAOYSA-N	306.293	1.876	50	20	DDGD	
CC(C)(C)c1cc(NC(=O)NNC(=O)CO)n(C(C)(C)C)n1	184852896	PPLCDQHGNMHJQK-UHFFFAOYSA-N	311.386	1.081	50	20	DDGD	
CC[C@H](C(=O)NNc1nnc(C2CC2)s1)N1CCCC1=O	184468110	YMWACWIIWNHOJX-SECBINFHSA-N	309.395	1.260	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)CCc2ccco2)c1	78407494	XKKATTWDVFDQPT-UHFFFAOYSA-N	317.345	1.480	50	20	DDGD	
COC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)c2ccccc2F)C1	73397876	XSWPHGYITVXJGI-QWRGUYRKSA-N	322.336	1.566	50	20	DDGD	
CCN(CC(N)=O)S(=O)(=O)c1ccc(CCCCl)cc1	188499696	VLQXKMQCFVLBOD-UHFFFAOYSA-N	318.826	1.354	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cccnc2)oc2c1C(=O)CCC2	41687279	FOXQYHWXKGSTOR-UHFFFAOYSA-N	313.313	1.577	50	20	DDGD	
Cc1cccc(F)c1NNC(=O)N[C@H](C)[C@H](C)N1CCOCC1	185356053	KZSMARBIMAEDDK-OLZOCXBDSA-N	324.400	1.869	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cn[nH]c2)c1C	192739112	ZZEZHGARRODJHE-LLVKDONJSA-N	302.334	1.255	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)C(C1CC1)C1CC1	133713997	FOJXMBRWTQVBIP-UHFFFAOYSA-N	302.374	1.787	50	20	DDGD	
CC(=O)CSCC(=O)NNC(=O)c1ccc(Cl)cc1	81273389	YNASWGSTKPMHFH-UHFFFAOYSA-N	300.767	1.423	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C(C)(C)O)c(Br)c1	192920867	DGAACDRRIUIHPK-UHFFFAOYSA-N	315.167	1.289	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NCCCS(=O)(=O)c1ccccc1	194492663	SFUFWEQAFYANLZ-OUKQBFOZSA-N	322.386	1.411	50	20	DDGD	
NC(=O)[C@@H]1CC[C@@H](C(=O)NNc2ccc(Cl)cc2Cl)O1	193631944	WLYZJQQDWCZAML-UWVGGRQHSA-N	318.160	1.469	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cn(C)nc2C(C)(C)C)n1	92245967	OUCGSUMEBOAIOD-UHFFFAOYSA-N	318.381	1.582	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)[C@@H]1COc2ccc(F)cc2C1	90398246	VEVPVOMVRNSFNY-NSHDSACASA-N	308.353	1.960	50	20	DDGD	
C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	246138403	ZKJJPVSSARYJAE-SFTQSGBHSA-N	317.455	1.192	50	20	DDGD	
COCCn1cc(/C=C(\C#N)C(=O)NCc2ccco2)cn1	266333517	UCRCOKPKAMMPRZ-NTUHNPAUSA-N	300.318	1.346	50	20	DDGD	
CCCCC(=O)N1CSC[C@@H]1C(=O)NNc1cnccn1	265221077	WXJQFTLKQGKHDR-SNVBAGLBSA-N	309.395	1.011	50	20	DDGD	
CN(NC(=O)NCCN1CCOCC1(C)C)c1ccccc1	265625724	QSJDRISKRSRWGW-UHFFFAOYSA-N	306.410	1.448	50	20	DDGD	
C=CCSCCNC(=O)NNC(=O)c1ccccc1OC	264565449	FNJOSZDOEGJCLY-UHFFFAOYSA-N	309.391	1.558	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)N[C@H]1CCCSC1	267298842	KBAGCVINXTYFLV-LBPRGKRZSA-N	323.418	1.464	50	20	DDGD	
CC(=O)Nc1cc(NC(=O)NNC(=O)CC(C)C)ccc1F	273327471	MNWIPISDGHHDTP-UHFFFAOYSA-N	310.329	1.983	50	20	DDGD	
C=C(CBr)CNC1(CC(=O)OC)CCOCC1	279820948	YEXIGSIHEMALCG-UHFFFAOYSA-N	306.200	1.639	50	20	DDGD	
COc1nccnc1NNC(=O)c1csc([C@@H]2CCCO2)n1	274046604	GINQNYDMBHJJCA-VIFPVBQESA-N	321.362	1.550	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CCc2c(C)nn(C)c2C)n1	279850592	SXUDXRQFVTYKBJ-UHFFFAOYSA-N	315.377	1.134	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NOC[C@@H]2CCOC2)cc1	276306310	OSONPORQRNXRQQ-GFCCVEGCSA-N	307.350	1.161	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNc2nc(-c3cccnc3)no2)CCO1	271902989	WZQDBUMVOVCAHE-VHSXEESVSA-N	303.322	1.390	50	20	DDGD	
CSSCCNC(=O)N1CCO[C@@H](COC(C)C)C1	375228283	ISJQYIMGHHCOMK-LLVKDONJSA-N	308.469	1.833	50	20	DDGD	
C=CCc1cc(C(=O)NN(C)C(=O)OC)cc(OC)c1OC	286473769	URZZAFXLHXDLPP-UHFFFAOYSA-N	308.334	1.775	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C(C)(C)C1CC1	286917126	ATWFWJNLEJBNBK-UHFFFAOYSA-N	305.378	1.691	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@]2(O)CCc3ccccc3C2)cc1	376765512	AYOORZDSLKMHES-GOSISDBHSA-N	307.353	1.921	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cccc(C2CCC2)c1	281801826	YKYZCJYXJDYQEB-UHFFFAOYSA-N	303.362	1.641	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@@H]2O[C@H](C)C[C@H]2C)cn1	281849055	BCRMMKPOSQUJSL-KBVBSXBZSA-N	324.406	1.221	50	20	DDGD	
COC(=O)N(C)NC(=O)c1ccc(Br)cc1OC	286365261	NHFXSHXORDZZFA-UHFFFAOYSA-N	317.139	1.801	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NNc1nc(C)cc(C)n1	281782205	KOZGKDMSNLJXOH-OLZOCXBDSA-N	305.382	1.701	50	20	DDGD	
CCOC[C@H](NC(=O)NNC(=O)c1cccc(C)n1)C(C)C	280022841	VHKMIJRBYGETIY-ZDUSSCGKSA-N	308.382	1.395	50	20	DDGD	
CCOCCC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	283690131	IQUGXTVURYCGFI-UHFFFAOYSA-N	317.292	1.867	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)CCCCC(=O)NC)n1	801631656	ATQSYKXTGMHMJJ-UHFFFAOYSA-N	322.413	1.072	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ncc(F)cc1F)CN1CCCC1	297493103	WHXDTNMRZSUOBX-JTQLQIEISA-N	313.352	1.718	50	20	DDGD	
O=C(CCN1CCCC1=O)NNc1nccnc1C1CCC1	805463888	MWDUKUWPKRYGQQ-UHFFFAOYSA-N	303.366	1.200	50	20	DDGD	
CSC[C@@H]1CCCN(C(=O)NNC(=O)Cc2cccnc2)C1	292824563	XIEDSXDKQOOXHI-CYBMUJFWSA-N	322.434	1.440	50	20	DDGD	
Cc1cc(CNC(=O)NNC(=O)[C@@H]2CCCO2)ccc1Cl	292441749	XDKNCXCFMJBLPP-LBPRGKRZSA-N	311.769	1.658	50	20	DDGD	
CCc1nc(C)c(C(=O)NNC(=O)Cc2ccccc2OC)o1	294723509	OIECQTOHWOWCDB-UHFFFAOYSA-N	317.345	1.558	50	20	DDGD	
CC(C)[C@H](O)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	291518097	YQEAMYWGHOIUGY-JTQLQIEISA-N	305.161	1.771	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccnc(C(F)(F)F)c1	808035872	AFFDQQIQTUONEN-UHFFFAOYSA-N	312.251	1.514	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)CCc2ncc[nH]2)cc1C	291274511	QVKUOZKWIMDUQE-UHFFFAOYSA-N	316.361	1.971	50	20	DDGD	
C[C@H]1COCC[C@@H]1CNC(=O)NNC(=O)c1cccc(C#N)c1	805067502	UURZAJJREMHNGH-SMDDNHRTSA-N	316.361	1.175	50	20	DDGD	
CCCCCCN(C)CC(=O)NNC(=O)N=c1cc[nH]cc1	802024199	LIQBZOFECMBSRH-UHFFFAOYSA-N	307.398	1.168	50	20	DDGD	
Cc1cc(C)cc(NC(=O)C(=O)NNc2ncccc2F)c1	807301774	IHPOEVOJRUVMEN-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
CC(=O)Cc1ccc(OS(=O)(=O)CBr)cc1	814396406	JEFRGPUXQCBKTB-UHFFFAOYSA-N	307.165	1.879	50	20	DDGD	
CCCCc1nc(C=NNC(=O)c2ccnnc2)c(Cl)[nH]1	817343587	PIXWFAKNWRUXNI-UHFFFAOYSA-N	306.757	1.960	50	20	DDGD	
CSSCCNC[C@@H](O)COc1ccccc1[N+](=O)[O-]	819297079	KYJXSARODODJHI-SNVBAGLBSA-N	318.420	1.935	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=S)NC2CCC2)o1	814196773	KGFKZPMZOOFEHH-UHFFFAOYSA-N	324.450	1.783	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1COc2cc(F)cc(F)c21	814864703	HTQVDKPEIHMFRV-MRVPVSSYSA-N	314.288	1.229	50	20	DDGD	
CN(C)c1cc(C(=O)NN=Cc2cccnc2Cl)ccn1	814844383	JJVYQRUXEVUMKC-UHFFFAOYSA-N	303.753	1.960	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc(F)c[nH]1	814735338	ABRXPYWGDPTNQA-MRVPVSSYSA-N	309.272	1.521	50	20	DDGD	
Cc1nc2ccccc2n1CCC(=O)NNc1ncncc1F	817077843	NTPBLZJAEQTJKI-UHFFFAOYSA-N	314.324	1.807	50	20	DDGD	
CCCC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccn1	814815638	FNPLITAMTMYKHS-LLVKDONJSA-N	324.406	1.072	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NN=C2COCCOC2)c1	814991856	BIXQNMXEYOZNFL-UHFFFAOYSA-N	313.741	1.873	50	20	DDGD	
Cn1nncc1NNC(=O)CCn1ccc2cc(Cl)ccc21	816771058	WNAXECSHHXDIQQ-UHFFFAOYSA-N	318.768	1.957	50	20	DDGD	
COC(=O)c1cc(NNC(=O)[C@H]2C[C@H]2C(=O)OC)ccc1C	816689612	QDYFESXRNHJBRY-NWDGAFQWSA-N	306.318	1.034	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NN=Cc2cnn(C)n2)o1	814821844	AFXNQJAETSJZQQ-UHFFFAOYSA-N	304.354	1.014	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2cccc(CO)c2)c1	813510106	OUBOJWDDYUZPMJ-UHFFFAOYSA-N	320.370	1.339	50	20	DDGD	
O=C(NN=C[C@@H]1CCCOC1)c1nnc(-c2ccccc2)o1	814816486	VEVZECPFOSPKIG-NSHDSACASA-N	300.318	1.879	50	20	DDGD	
Cn1c(NNC(=O)CN2CCCCC2=O)nc2ccccc21	816577260	DHTRZIUSZXCZNQ-UHFFFAOYSA-N	301.350	1.029	50	20	DDGD	
CCn1cc(NC(=S)NNC(=O)CNc2ccccc2)cn1	726123645	QDBZGYVLMSTVQI-UHFFFAOYSA-N	318.406	1.333	50	20	DDGD	
C=C(Br)CNC(=O)NNC(=O)c1cccc(C#N)c1	728950351	LMTKRGUGZIRWMB-UHFFFAOYSA-N	323.150	1.411	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)c1cccc(C(=O)O)c1	821377532	MGWUYIIFBMNSRD-UHFFFAOYSA-N	312.325	1.779	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2cccnc2)c2n[nH]cc2c1	728892823	AUGNJLYHRXLDLX-UHFFFAOYSA-N	309.329	1.270	50	20	DDGD	
C[C@@]1(C(=O)NCc2cc3n(n2)CCCO3)C[C@H]1Br	820103076	QZQSYYKVTIZLFL-BXKDBHETSA-N	314.183	1.455	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNC(=O)OCC(F)(F)F)C(C)C	824618988	ASIWPCFWTURNNG-SSDOTTSWSA-N	314.260	1.141	50	20	DDGD	
CCc1nc2ccc(Cl)cn2c1C(=O)NN(C)[C@H](C)CO	823921789	BODQWJLENQNCGO-SECBINFHSA-N	310.785	1.508	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)[C@@H]2CC23CCSCC3)c1	823100522	YOQLDTXQYNONOF-ZDUSSCGKSA-N	315.398	1.853	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2cncnc2N2CCCC2)cn1	491176804	RVKZDPYFQSVYHF-MLPAPPSSSA-N	323.360	1.356	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C/c2c(F)ccc(O)c2F)n1	490699341	TURINRHNFQVWIA-SOFGYWHQSA-N	304.256	1.950	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)[C@H](C)NC(=O)OC(C)(C)C	496407997	XFGXUQWDCWKFDK-VIFPVBQESA-N	307.354	1.496	50	20	DDGD	
C[C@H]1[C@H](C(=O)NNc2ncccn2)CCN1C(=O)OC(C)(C)C	496251778	FDDZGNKSQIVIKZ-WDEREUQCSA-N	321.381	1.565	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C/c1ccc(OCC(=O)O)cc1	490549208	CCTRSXNEEQAOHZ-NTUHNPAUSA-N	302.330	1.829	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)ncn1	496979829	PXEUWANMWDRRER-PHIMTYICSA-N	321.381	1.531	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N(C)CCc1cccs1	827288694	NOIXMASBZNHPNG-CMPLNLGQSA-N	311.407	1.388	50	20	DDGD	
CCOC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1OCC	495407560	LKMVXBRSLDITRF-UHFFFAOYSA-N	309.322	1.110	50	20	DDGD	
Cc1ccc(Br)c(C(=O)NN(C)[C@@H](C)CO)n1	823384456	LFHVSRPEGLYKLZ-QMMMGPOBSA-N	302.172	1.110	50	20	DDGD	
Cc1cc(O[C@@H](C)C(=O)NN(C)[C@@H](C)CO)ccc1Cl	823970059	BNUBTECOOSGBSY-QWRGUYRKSA-N	300.786	1.760	50	20	DDGD	
CC[C@@H](OC1CCCC1)c1nc(-c2ccc(B(O)O)cc2)no1	585054154	JERKMAGOZPFBRF-CQSZACIVSA-N	316.166	1.827	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCC2(CO)CCCCC2)cn1	827142641	NHUABDPUDXLVPE-AUWJEWJLSA-N	302.378	1.386	50	20	DDGD	
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)NCC1CC1	727147295	AMUJIZQPSNJVPJ-JTQLQIEISA-N	314.386	1.030	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2[C@H]3CC[C@H]2COC3)cc(C#N)n1C	491086722	UXWOPQHFWRPVEY-PJORVAEVSA-N	310.357	1.502	50	20	DDGD	
CCN(CCO)NC(=O)/C(C)=C/c1ccc(Br)o1	823902954	WZJPLNQKSYRVJR-CMDGGOBGSA-N	317.183	1.791	50	20	DDGD	
CNc1ncnc2cc(C(=O)NNC(=O)C(C)(C)C)ccc12	822253417	ZQNHJVHXRUTYSR-UHFFFAOYSA-N	301.350	1.479	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)Cc1nc(-c2ccccc2)cs1	823916878	AHEIRRCGAXGOGO-NSHDSACASA-N	305.403	1.696	50	20	DDGD	
O=C(NNC(=O)/C(F)=C\C1CCCCC1)C(=O)N1CCCC1	825659275	WOEJXRWDKDPXED-ZRDIBKRKSA-N	311.357	1.190	50	20	DDGD	
O=C(/C=C/[C@@H]1CCOC1)NNC(=O)CCCc1ccccc1	493763381	XWOKPNQTAVOWRX-BOLDSZDNSA-N	302.374	1.749	50	20	DDGD	
CC(C)(C)[C@@H](CC(F)(F)F)NCc1ccc(B(O)O)cc1	585035114	PHIPVICWDBSOOZ-GFCCVEGCSA-N	303.133	1.823	50	20	DDGD	
CCCN(NC(=O)Cc1cnn(C)c1C)C(=O)OC(C)(C)C	496304013	HPBXGRSRXDJVEH-UHFFFAOYSA-N	310.398	1.949	50	20	DDGD	
CCCCN(CC(=O)NNC(=O)C(C)C)Cc1ccccc1O	829515609	CSDAVYZZJVCHQB-UHFFFAOYSA-N	321.421	1.798	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNc2nccnc2OC)cc1	493775800	ITMXWVZITXOCBM-VMPITWQZSA-N	300.318	1.650	50	20	DDGD	
COc1ncc(C(=O)NNC(=O)Nc2ccccc2C)cn1	734025816	HURWUEVITQNETB-UHFFFAOYSA-N	301.306	1.260	50	20	DDGD	
CCOC1(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CCCC1	826867777	RBTGHPVNULQENF-NEPJUHHUSA-N	313.398	1.091	50	20	DDGD	
Cc1nc(NC(=O)NNc2ccccc2S(C)(=O)=O)oc1C	732234892	IDSGZBMLDGOXGT-UHFFFAOYSA-N	324.362	1.844	50	20	DDGD	
OB(O)c1ccc(CNCC2(c3ccccc3Cl)CC2)o1	585032658	XXJXPSIDRMSBKK-UHFFFAOYSA-N	305.570	1.434	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)c1ccc(Cl)cc1OC	491618241	CPIJGINKQTYSBZ-UHFFFAOYSA-N	316.748	1.942	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NN=Cc2cnc[nH]2)C1	495717907	CBVZAYKKQCYFMD-NSHDSACASA-N	321.381	1.507	50	20	DDGD	
COCC1(CNCc2ccc(B(O)O)cc2F)CCCCC1	585041288	NISVKIYDUJPKEB-UHFFFAOYSA-N	309.190	1.192	50	20	DDGD	
CN[C@H](CC(C)(C)C)C(=O)NNc1nc(-c2cccnc2)no1	831890674	QZQJTABBEYKRJS-LLVKDONJSA-N	318.381	1.599	50	20	DDGD	
O=C(CSCc1cscn1)NNC(=O)[C@@H]1CCCCO1	833247052	XVPOUJYEZKMPSH-JTQLQIEISA-N	315.420	1.093	50	20	DDGD	
OB(O)[C@@H]1CCN(Cc2c(Cl)cccc2N2CCCC2)C1	585076252	MGKSGBQJIFWWMD-GFCCVEGCSA-N	308.618	1.989	50	20	DDGD	
Cc1ccc2oc(C(=O)NNC(=O)[C@H]3CCCCO3)cc2n1	833250750	LGKNVSHBSPREDN-GFCCVEGCSA-N	303.318	1.466	50	20	DDGD	
O=C(Cc1cccc(C(F)(F)F)c1)N1CC[C@@H](B(O)O)C1	585070600	AUVDEHJZGOXZGU-LLVKDONJSA-N	301.073	1.323	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1F	831281733	YDMIYSNGWMHDCA-WCBMZHEXSA-N	311.313	1.412	50	20	DDGD	
C[C@]1(C(=O)N2CCC[C@H](OCCO)C2)C[C@@H]1Br	907075198	SPTQLVZZZOJDFB-NHCYSSNCSA-N	306.200	1.160	50	20	DDGD	
O=C(COC(=O)/C=C\C1CCCC1)NNC(=O)c1ccccc1	830811317	BBKBAPSMQDQPMJ-KHPPLWFESA-N	316.357	1.737	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1nc(C2CC2)cs1	831127253	HUNKSCZXGPBRDG-CBAPKCEASA-N	310.379	1.598	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@]2(C)CCC(=O)N2)c(Cl)c1	838735308	RIZSYGVUNZKPKL-CQSZACIVSA-N	310.785	1.943	50	20	DDGD	
Cc1c(C(=O)N2CC[C@H](B(O)O)C2)cnn1-c1ccc(F)cc1	585070074	VWCGZODOBVBTJT-NSHDSACASA-N	317.129	1.009	50	20	DDGD	
C[C@H]1CCc2c(sc3ncnc(N4CC[C@H](B(O)O)C4)c23)C1	585073065	IADBRZWACPAWOF-UWVGGRQHSA-N	317.223	1.869	50	20	DDGD	
CCN(CC)CCC(=O)NN=C(C)CCC(=O)N(C)OC	834931566	LQEMMIAMCFBKRS-UHFFFAOYSA-N	300.403	1.010	50	20	DDGD	
C#CCCCC(=O)NN=C(C)c1cccc(NS(C)(=O)=O)c1	901324230	JYDVEDHSBURVBG-UHFFFAOYSA-N	321.402	1.702	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc3c(c2)NC(=O)CO3)nc(C)n1	736711663	DNBIEWPEDPXIKS-UHFFFAOYSA-N	313.317	1.181	50	20	DDGD	
Cn1c(CC(=O)NN=Cc2ccc(O)c(O)c2)nc2ccccc21	916313000	BTAYXVQPCAWLLW-UHFFFAOYSA-N	324.340	1.677	50	20	DDGD	
CC(C)(C)CCNC(=O)NNC(=O)COc1ccccc1O	730821686	ZUGPYQFSOIVYRT-UHFFFAOYSA-N	309.366	1.538	50	20	DDGD	
CO[C@H]1CCN(CC(=O)NNC(=O)c2ccc(C)cc2)C[C@@H]1C	831529387	XSIZUJTXDCZSBE-ZFWWWQNUSA-N	319.405	1.113	50	20	DDGD	
COC(=O)COc1ccc(C(=O)NNC(=O)C(C)(C)C)cc1	918324089	XRLIUODLAQWGRR-UHFFFAOYSA-N	308.334	1.046	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCc1cc2ccccc2s1	838620938	CKRGSAVQEVMLIP-UHFFFAOYSA-N	321.402	1.811	50	20	DDGD	
CN(C)CCOc1ccc(C=NNC(=O)c2ccc[nH]2)cc1	915955377	CDYYMIMVGKFZKM-UHFFFAOYSA-N	300.362	1.719	50	20	DDGD	
Cc1ccccc1-n1cc(C(=O)NNC(=O)C(C)(C)C)nn1	839537442	ZGVFLYXBJXIWJC-UHFFFAOYSA-N	301.350	1.383	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)CC1CCC1	742478114	YLHXVLDYRUSULN-UHFFFAOYSA-N	314.389	1.936	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1ccc([N+](=O)[O-])o1	916364442	MBLBMWQWSYCAGQ-NSHDSACASA-N	308.338	1.760	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCCC1=NNC(=O)NC1CCCCC1	741456123	FMGNLMXCGSUOLO-CYBMUJFWSA-N	315.439	1.962	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)COc1ccc(C#N)cc1)C1CCCC1	749330939	YNHZZSASMOACLD-GFCCVEGCSA-N	315.373	1.911	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)OCCCO2	843647880	ORLIVXLLRQZGOZ-JQWIXIFHSA-N	320.345	1.034	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=Cc1ccc(OC)cc1F	844585355	NRXGWBGAUZHJNI-UHFFFAOYSA-N	309.341	1.589	50	20	DDGD	
CCn1nncc1C=NNC(=O)[C@@H](C)CN1CCC(C)CC1	841614874	RTCQUUIMHDSQTF-ZDUSSCGKSA-N	306.414	1.116	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)C1=Cc2ccccc2CC1	916566851	JFZXMOWTZKUBJY-UHFFFAOYSA-N	308.403	1.970	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)CCc1cc2ccccc2nc1O	910154885	IGAYBDYYBMEHAI-LLVKDONJSA-N	303.362	1.217	50	20	DDGD	
CC(C)(C)N1C[C@@H](C(=O)NNC(=O)c2ccccc2F)CC1=O	914709202	QCQRYVBKWJSXBY-JTQLQIEISA-N	321.352	1.234	50	20	DDGD	
CCC(=NNC(=O)Cc1cc(O)nc(O)n1)c1ccc(O)cc1	743448109	YWQPOCQJRBCVMD-UHFFFAOYSA-N	316.317	1.066	50	20	DDGD	
C[C@H](NC(=O)NNc1ncccn1)[C@@H]1C[C@H](C(=O)O)C1(C)C	848596856	ZKVSYWBNWFFAOY-LPEHRKFASA-N	307.354	1.238	50	20	DDGD	
O=C(CC[C@H]1CCCO1)NNC(=O)c1cc(Cl)ccc1O	914831132	ODSKHSVHRPAOHO-SNVBAGLBSA-N	312.753	1.766	50	20	DDGD	
O=C(NCCNC1CC1)NNc1ccccc1OC(F)(F)F	841929024	PQKHFKBPWLOCKJ-UHFFFAOYSA-N	318.299	1.963	50	20	DDGD	
Cc1cccc(NNC(=O)CN2C(=O)COc3ccccc32)c1	912634597	KGQNSDAORDNBFU-UHFFFAOYSA-N	311.341	1.864	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CC(F)(F)F	915058625	RYIVPXBEXHQEBT-ZETCQYMHSA-N	308.231	1.693	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)Cc1ccccc1Br	910166488	XCUFUEFNBCTWLR-VIFPVBQESA-N	301.184	1.335	50	20	DDGD	
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OCC(=O)NN(C)C[C@H](C)O	910174210	SIRSQOLMORPVDK-ZQDZILKHSA-N	300.443	1.808	50	20	DDGD	
CC(=NNC(=O)Cc1ccncc1)c1cccc(-n2cnnn2)c1	747646637	VKZHDMIFSIOHRG-UHFFFAOYSA-N	321.344	1.140	50	20	DDGD	
CC(C)(C(=O)NNC(=O)N[C@@H](CO)CCF)c1ccccc1	846713413	ZHAHJNBNMBHYND-GFCCVEGCSA-N	311.357	1.015	50	20	DDGD	
CCCNC(=O)NNC(=O)Cc1c(C)nc([C@@H](C)CC)nc1C	847393730	HLTJRWAEHLJHQN-JTQLQIEISA-N	321.425	1.890	50	20	DDGD	
Cc1ccc(OCCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1C	843640046	APTKTHBQHIYAOH-UKRRQHHQSA-N	320.389	1.645	50	20	DDGD	
COCCCCC(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	746914763	XIRWATLCGNKTPU-UHFFFAOYSA-N	322.361	1.116	50	20	DDGD	
O=C(NN=C/C=C/c1ccccc1)N[C@@H]1CCS(=O)(=O)C1	920382105	XBFSJIXDDJVJBM-MUVMOQGVSA-N	307.375	1.172	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@@H]1CCCN2CCCC[C@H]12	847444738	KHFKHXHNSDORBT-NXEZZACHSA-N	322.331	1.286	50	20	DDGD	
COc1ccc(C(=O)NNc2ccnc(N(C)C)n2)c(OC)c1	740107462	IIJVYGSSEFSINW-UHFFFAOYSA-N	317.349	1.317	50	20	DDGD	
CC(CCc1ccc(C)cc1)=NNC(=O)[C@H]1CCS(=O)(=O)C1	920371409	VBLFFGPNQYCPLZ-HNNXBMFYSA-N	322.430	1.854	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccccc1[S@](=O)C(F)(F)F	929231629	IFWLOYVYIDNGDC-NRFANRHFSA-N	320.292	1.485	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)C2CCOCC2)cc1	920213511	BEZQYFHRTQRXOV-UHFFFAOYSA-N	309.391	1.439	50	20	DDGD	
CC(=O)c1csc(C(=O)NNC(=S)N[C@H](C)C2CC2)c1	855101193	RRQUPNUHPRSCKX-SSDOTTSWSA-N	311.432	1.858	50	20	DDGD	
O=C(NN=Cc1ccc(F)cc1F)C(=O)Nc1ccccn1	758378847	BBFIKYFECVBOEF-UHFFFAOYSA-N	304.256	1.449	50	20	DDGD	
COc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)c2ccnnc2)cc1	854968846	OLYJKVYADFKFDG-UONOGXRCSA-N	312.329	1.050	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)NCC1=CCCC1	852636057	ZAWLNFQELGVQNO-UHFFFAOYSA-N	305.334	1.212	50	20	DDGD	
CC(CC(C)(C)C#N)=NNC(=O)Cc1cc(O)nc(S)n1	853285730	ZWUOPTDPHSOURU-UHFFFAOYSA-N	307.379	1.445	50	20	DDGD	
CCc1nnc(NC(=O)NNC(=O)c2ccc(C)cc2O)s1	755404647	HYZDVEWCWRHBBW-UHFFFAOYSA-N	321.362	1.581	50	20	DDGD	
COc1cccc([C@@H](CNC(=O)NNc2cccnn2)OC)c1	858654574	RHZMQFIOJUBNMK-CYBMUJFWSA-N	317.349	1.499	50	20	DDGD	
CC(C)OCCS(=O)(=O)NC[C@@]1(C)C[C@@H]1Br	856753931	AIQCDKFZMJSYCT-VHSXEESVSA-N	314.245	1.504	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C2CC3(CC3)C2)c1	856792613	YBITWVAAJXEOLX-UHFFFAOYSA-N	303.362	1.445	50	20	DDGD	
Cc1c(C(=O)NNc2ccc(Br)nc2)cnn1C	759090956	STBMWELAAHCADX-UHFFFAOYSA-N	310.155	1.643	50	20	DDGD	
CC(C)(C)[C@@H]1CN(C(=O)NNC(=O)c2cccc(F)n2)CCO1	852709711	DQYWBUXDIGXTIN-NSHDSACASA-N	324.356	1.322	50	20	DDGD	
CCOc1nc(C(=O)NNC(=O)COc2cccc(C)c2)co1	753981197	JQWNKTGNTGMEAK-UHFFFAOYSA-N	319.317	1.222	50	20	DDGD	
CNC(=S)N(C)NC(=O)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C	854926739	JSGSVTGFDCPUKB-YNEHKIRRSA-N	315.483	1.931	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@@H]1CCN(C2CCCCC2)C1	852279216	OQULOGGSXQTFNA-CQSZACIVSA-N	322.453	1.914	50	20	DDGD	
O=C(NNc1nccnc1Cl)C(F)(F)c1nccs1	757662440	RDSXPHYOXMRUFR-UHFFFAOYSA-N	305.697	1.822	50	20	DDGD	
CC[C@@H](C)NC(=O)c1ccc(NC(=O)NNC(=O)COC)cc1	756185714	DAGSGMQRBIYWSU-SNVBAGLBSA-N	322.365	1.014	50	20	DDGD	
O=C(NNC(=O)c1cnc(C2CC2)s1)OCC(F)(F)F	856023208	CHRKHFGNUYKSKN-UHFFFAOYSA-N	309.269	1.954	50	20	DDGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@]1(C)C[C@H]1Br	857733619	MDJHEEHEXYKLSP-MRGUHSIWSA-N	312.211	1.813	50	20	DDGD	
Cc1ccnc(COC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)n1	756166440	CJRFJRJRGNGBIV-NSIKDUERSA-N	321.340	1.954	50	20	DDGD	
COC(=O)N1CCC(NC[C@]2(C)C[C@H]2Br)CC1	856807250	MPLVYEFROYSNOW-PWSUYJOCSA-N	305.216	1.980	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2ccccc2[N+](=O)[O-])ccn1	751298265	UVBBLJLNMSAOQT-UHFFFAOYSA-N	316.273	1.533	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@]1(C)CCC[C@H]1C	854388620	QYXWWUKIICCAAP-BXUZGUMPSA-N	300.399	1.749	50	20	DDGD	
CCC(C[C@H](C)CC)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1	920384487	LTCOPYQNUXWZOM-ZYHUDNBSSA-N	303.428	1.675	50	20	DDGD	
COc1ccc(CN2CC[C@H](N3CC=C(C#N)CC3)C2=O)cc1	851882619	BNRHMCJHWXZHDQ-KRWDZBQOSA-N	311.385	1.952	50	20	DDGD	
C[C@@]1(CNc2cc(-n3cccn3)nc(N)n2)C[C@H]1Br	856787896	SESOGVKHABCXSC-PELKAZGASA-N	323.198	1.830	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)NNc1ccc(Br)nc1	757380933	DHNHTKASUZJPGL-UHFFFAOYSA-N	324.182	1.951	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)CC(C)C)ccc1-n1cnnn1	755678624	LFJDUEFQNDSLMC-UHFFFAOYSA-N	317.353	1.170	50	20	DDGD	
CCC1(C(=O)NNC(=O)Cc2ccc3ccccc3c2)COC1	755693391	XRZJXPMTQCFFMH-UHFFFAOYSA-N	312.369	1.956	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)COc2ccc(F)cc2)CN1C1CC1	753954770	HSXJVNIEGPHOGW-LLVKDONJSA-N	305.353	1.933	50	20	DDGD	
CCC1(O)CCC(NC(=O)NNC(=O)c2cccc(F)n2)CC1	852236490	MUWJKRUNALYNHL-UHFFFAOYSA-N	324.356	1.248	50	20	DDGD	
CCNC(=O)NNC(=O)C1CC(O)(c2cccc(Cl)c2)C1	858781720	HNMHAYWBBVCLHL-UHFFFAOYSA-N	311.769	1.288	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCc2ccn(C)n2)c1C	853933504	FKTCKCWKKOHXJI-UHFFFAOYSA-N	317.349	1.341	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@@]2(C)CCOC2)c1C	754358832	PBFAKBYFBTTYNJ-GUYCJALGSA-N	320.389	1.645	50	20	DDGD	
CN(C)CCCN(C)C(=O)NC[C@@]1(C)C[C@@H]1Br	856953381	RMLYPMYXZVAGIF-CMPLNLGQSA-N	306.248	1.753	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N=c1cc(C)[nH]cc1C	757811831	ZFYHQPRQWDCJLJ-UHFFFAOYSA-N	314.345	1.595	50	20	DDGD	
C[C@@H](CN1CCCCC1)C(=O)NN=Cc1cnc2ncccn12	755587521	UTHDZOUWWWXXST-ZDUSSCGKSA-N	314.393	1.301	50	20	DDGD	
C[C@@H]1CN(C2CC2)CC1=NNC(=O)Cc1cn2ccccc2n1	755891501	HPOFIQKXAOXLKR-GFCCVEGCSA-N	311.389	1.463	50	20	DDGD	
CC1(C)CC(=NNC(=O)[C@H]2CCC(=O)N2)c2ccc(O)cc2O1	863150042	LMELLWPIVSUOMQ-LLVKDONJSA-N	317.345	1.052	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=C1CCCc2scnc21	863105504	SJYZISKTFZYHOY-UHFFFAOYSA-N	324.406	1.824	50	20	DDGD	
CSCC[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C(N)=O	862715794	KLXIQQZURJEPEU-ZWXCPPHNSA-N	319.386	1.022	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccccc1F)c1ccc[nH]1	760344678	CLRUKGMSECMSBN-SNVBAGLBSA-N	304.325	1.788	50	20	DDGD	
CCc1cc(Br)ccc1NNC(=O)Cc1nc[nH]n1	867364942	PPWHCFUNUZZHDM-UHFFFAOYSA-N	324.182	1.815	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccc2nnc(O)n2c1	768505763	WSJMXTNLHAUHNX-UHFFFAOYSA-N	309.289	1.068	50	20	DDGD	
COC(=O)c1cc(S(=O)(=O)NCC(Cl)Cl)c(C)o1	867470532	POGXTDHYLODAHB-UHFFFAOYSA-N	316.162	1.457	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@H]1CCOC2(CCCC2)C1	769177423	ZMEBJIWGRSJHTN-VIFPVBQESA-N	323.315	1.761	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1	868120518	CTDHLVGNNFPNFC-UHFFFAOYSA-N	308.382	1.720	50	20	DDGD	
CC(=NNC(=O)c1nn(C)c(=O)c2ccccc12)c1occc1C	767762657	YBODEPBACIDFKY-UHFFFAOYSA-N	324.340	1.989	50	20	DDGD	
O=C(Cc1c[nH]c2cc(Cl)ccc12)N1CC[C@H](B(O)O)C1	864231805	SPYJPFPRVMKRRP-JTQLQIEISA-N	306.558	1.439	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)NNc1nc2ccccc2[nH]1	768512850	QACRSWZXJQOIDN-UHFFFAOYSA-N	310.379	1.077	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(C)c(C)c2O)nc1	760786954	VMWJOSIEUZXFJR-UHFFFAOYSA-N	315.329	1.948	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H](c1cccs1)N(C)C	864408721	CRFMOPPMTHSUEM-SECBINFHSA-N	300.384	1.263	50	20	DDGD	
CCn1nc(C=NNC(=O)[C@H](C)OCCOC)c2ccccc21	769790505	LVAVTILFVDCMIW-LBPRGKRZSA-N	318.377	1.558	50	20	DDGD	
Cc1cccc(NNC(=O)c2cc(N3CCOCC3)ccn2)n1	862524703	RHBCJOPHWLOTFA-UHFFFAOYSA-N	313.361	1.379	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1scnc1C1CC1	764676684	NINNMSSDRLIYKL-UHFFFAOYSA-N	306.351	1.968	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2cscc2C(F)(F)F)N1	863150485	VRKDIHARRNZYNX-QMMMGPOBSA-N	305.281	1.496	50	20	DDGD	
COCCOCC(=O)NNC(=O)[C@H]1CC[C@H](C(C)C)CC1	869908558	QASBYNYNUKNKRV-JOCQHMNTSA-N	300.399	1.259	50	20	DDGD	
O=C(CN1CCCC1=O)NN=C(Cc1ccccc1)C(F)F	769570673	UMZWXZLNSOVLJD-UHFFFAOYSA-N	309.316	1.589	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc2occc2s1	769770893	ZVEDOMAMDDXYTM-UHFFFAOYSA-N	315.445	1.966	50	20	DDGD	
COCCOCC(=O)NN=Cc1cn(C)nc1-c1cccs1	872401170	JIFZXGSQBGHVTK-UHFFFAOYSA-N	322.390	1.262	50	20	DDGD	
COCc1nocc1C(=O)NNC(=O)Cc1ccc(Cl)cc1	1117665238	ZKHBSVWVTVNPPP-UHFFFAOYSA-N	323.736	1.478	50	20	DDGD	
COCCOCC(=O)NN=Cc1c[nH]c2cc(Cl)ccc12	872402436	DSPIDRBDMXALNQ-UHFFFAOYSA-N	309.753	1.934	50	20	DDGD	
O=C(CCc1cccc2c1OCO2)NNC(=O)NCC1CC1	770221551	CYBHKGYRKNYXRK-UHFFFAOYSA-N	305.334	1.088	50	20	DDGD	
CCN(C)C(=O)[C@@H](C)NC(=O)NNc1cccc(F)c1Cl	875525418	CTEPMKQBSFRYBG-MRVPVSSYSA-N	316.764	1.972	50	20	DDGD	
O=C(NNc1cccnc1Cl)C(=O)Nc1ccc(F)cn1	773663267	ANEYUWCAUMZFMK-UHFFFAOYSA-N	309.688	1.351	50	20	DDGD	
COCCOCC(=O)NN=C(C)c1cccc(CN(C)C)c1	872399835	DMGDTORIVMFXOY-UHFFFAOYSA-N	307.394	1.251	50	20	DDGD	
COC(=O)c1cc(CNC[C@]2(C)C[C@H]2Br)on1	877647851	UWQGTFMAJWQJJA-KOLCDFICSA-N	303.156	1.724	50	20	DDGD	
COC(=O)c1cncc(C(=O)NNc2ccc(OC)cc2)c1	774304648	QPVKOUNWBZJWBX-UHFFFAOYSA-N	301.302	1.634	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(C#N)cc1	773032224	IDQYYQGIKJEWHS-ZDUSSCGKSA-N	319.386	1.223	50	20	DDGD	
Cc1cccc2c(=O)c(C(=O)NNC(=O)c3ccccn3)c[nH]c12	776095994	CTZVPTUSDDKSIW-UHFFFAOYSA-N	322.324	1.306	50	20	DDGD	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=NNC(=O)CCO	1116205505	RHHWWUWBDSXDQH-UHFFFAOYSA-N	320.780	1.975	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)Nc2cccnn2)c1	776477033	XPVJFSKHXWCJAK-UHFFFAOYSA-N	307.335	1.029	50	20	DDGD	
CNC(=O)c1cccc(NC(=O)NNc2ncccn2)c1C	775477006	LAIUYDOPLHLMSJ-UHFFFAOYSA-N	300.322	1.293	50	20	DDGD	
Cc1nccc(NC(=O)NNC(=O)COc2ccccc2F)n1	776496176	SBZVTDZIPBTIQR-UHFFFAOYSA-N	319.296	1.156	50	20	DDGD	
CCC[C@H]1C[C@@H](C(=O)NNC(=O)c2cccc(C#N)c2)CCO1	779904087	SHGXQCIGKRHEPN-GJZGRUSLSA-N	315.373	1.915	50	20	DDGD	
COc1cc(CCNS(=O)(=O)CCCCl)ccc1O	881913826	WEEHISPELDSWTK-UHFFFAOYSA-N	307.799	1.492	50	20	DDGD	
COC[C@H]1COCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	886864803	SYZOYHUQUXYODH-MQJVFOOVSA-N	302.330	1.173	50	20	DDGD	
Cc1nscc1C(=O)NNc1nc(-c2cccnc2)no1	781333275	AWQHFYYIEUTATA-UHFFFAOYSA-N	302.319	1.653	50	20	DDGD	
O=C(CN1CCCC1=O)NN=Cc1ccc([N+](=O)[O-])cc1Cl	783806495	IOCKTACXJVLRRP-UHFFFAOYSA-N	324.724	1.321	50	20	DDGD	
CC(C)c1ccoc1C(=O)NNC(=O)C(=O)Nc1ccccn1	786322886	AJOBQZJQCKELEB-UHFFFAOYSA-N	316.317	1.198	50	20	DDGD	
CCc1ccccc1-n1cc(O)c(C(=O)NN=c2cc[nH]cc2)n1	780755161	LGAHTYSAHDRTLO-UHFFFAOYSA-N	323.356	1.714	50	20	DDGD	
C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)NNC(=O)C1CCOCC1	883650514	HMJLHVXYQWRJJQ-IINYFYTJSA-N	319.361	1.266	50	20	DDGD	
COc1ccc([C@H](CO)N(C)S(=O)(=O)CCCCl)cc1	881924099	IBONBZGAZPYITK-ZDUSSCGKSA-N	321.826	1.619	50	20	DDGD	
O=Cc1cccc(OCCC(=O)NNc2ccnc(F)c2)c1	781361620	DDOCGKSBMYZXHB-UHFFFAOYSA-N	303.293	1.945	50	20	DDGD	
O=C(Cn1cc(Br)cn1)NNc1ccnc(F)c1	781363309	NEXMROAILFIMMP-UHFFFAOYSA-N	314.118	1.323	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ncccc1Br	1123841310	CQQVYFMWVHGWHV-UHFFFAOYSA-N	317.143	1.257	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)c1c(O)cccc1O	780729862	GEWCRXRSHIEVLD-UHFFFAOYSA-N	302.286	1.641	50	20	DDGD	
Cc1ccc(C)c(NC(=O)C(=O)NNc2ncncc2Cl)c1	782159728	UUXQXRCKFDBSHL-UHFFFAOYSA-N	319.752	1.829	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC(=O)c2ccccc21)c1ccccc1O	789908933	UHSCEIBQIFCDGX-ZDUSSCGKSA-N	310.309	1.523	50	20	DDGD	
COc1ccc(NNC(=O)c2cccc(C3OCCO3)c2)nc1	781531088	UQZKIIRBFGFVEI-UHFFFAOYSA-N	315.329	1.893	50	20	DDGD	
COc1cccc(NNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)n1	780772062	RSJPZTAYPDNJGJ-NSHDSACASA-N	306.366	1.038	50	20	DDGD	
N#C/C(=C\c1cnn(CC2CCC2)c1)S(=O)(=O)NC1CC1	899368918	OOJNTFHAFLCCMD-MKMNVTDBSA-N	306.391	1.629	50	20	DDGD	
C[C@@H]1C[C@@H](C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)CO1	784150557	UZRJSNLRMQUBMQ-GHMZBOCLSA-N	306.366	1.330	50	20	DDGD	
CN1CCC[C@H]1c1cc(C(=O)NNc2ncccc2Cl)n[nH]1	896380006	HQEMQRBHYKGKFI-LBPRGKRZSA-N	320.784	1.982	50	20	DDGD	
CC(C)CN1C[C@@H](C(=O)NNc2ncncc2Cl)CC1=O	781830366	PAMMWAAZRGBBOK-VIFPVBQESA-N	311.773	1.078	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	899998099	FLQKAWXIZUWGSG-QWHCGFSZSA-N	316.430	1.956	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=C1CSC[C@@H]1C	794878204	FIZDLRPCDVGFKA-WUHRBBMRSA-N	313.467	1.587	50	20	DDGD	
COc1ccnc(NNC(=O)c2cc(C=O)c(C)cc2C)n1	793019165	KKFNKFXOQDUXGT-UHFFFAOYSA-N	300.318	1.671	50	20	DDGD	
Cc1cc(NNC(=O)c2cc([C@H]3CCCN3C)[nH]n2)ncn1	896382269	GZQZJXRJLVBNAF-GFCCVEGCSA-N	301.354	1.032	50	20	DDGD	
CC(C)Cc1ccccc1C(=O)NNC(=O)C(=O)N1CCCC1	790547257	BCHNJGKAJUHSPL-UHFFFAOYSA-N	317.389	1.269	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C[C@H]2CSCCS2)n1	794088084	VLCCSDHBPWSGBF-JTQLQIEISA-N	311.432	1.390	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1cc2ccccc2c(=O)o1	797712291	YCEXROQNGMNXAG-UHFFFAOYSA-N	301.302	1.147	50	20	DDGD	
CSc1ccccc1CN(C)CC(=O)NNC(=O)C1CC1	791603857	WNCLHCUNOUHMRW-UHFFFAOYSA-N	307.419	1.398	50	20	DDGD	
CCn1c(NNC(=O)/C=C\COC)nc2ccccc2c1=O	791311810	OAGMOEMKCRATKO-TWGQIWQCSA-N	302.334	1.062	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1cc(=O)c2ccccc2o1	791261370	DZUMUIXYMPTKEK-UHFFFAOYSA-N	321.296	1.593	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@@H]1CCCC12CCOCC2	799981216	IBZPSMMRGQVGDU-CYBMUJFWSA-N	309.410	1.856	50	20	DDGD	
CCC/C=C/C(=O)NNC(=O)c1nnc(O)c2ccccc12	793028848	RWACRSXSECCZHN-RUDMXATFSA-N	300.318	1.453	50	20	DDGD	
CCc1ccccc1OCCC(=O)NNC(=O)Cc1cc[nH]n1	796209329	CQIDBBDFIXIQMI-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccc(O[C@@H]2CCOC2)cc1	790006240	XFCGZMBOOVKVHZ-CYBMUJFWSA-N	318.308	1.540	50	20	DDGD	
CC(C)c1nc2cc(NC(=O)NNC(=O)CCO)ccc2o1	1323985604	LKIWHXYCCWPHSE-UHFFFAOYSA-N	306.322	1.486	50	20	DDGD	
CCc1nnc(NC(=O)NNC(=O)c2ccc(OC)cc2)s1	1320406093	ONWIUWHZPXRBOQ-UHFFFAOYSA-N	321.362	1.576	50	20	DDGD	
CC(=NNC(=O)C[n+]1ccccc1)c1ccc(O)c([N+](=O)[O-])c1	1321068192	WTJIVRUMOMTRBL-UHFFFAOYSA-O	315.309	1.128	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1c[nH]cc(Cl)c1=O	1321427666	UTZDGHGBFOHQON-UHFFFAOYSA-N	309.669	1.088	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccc(SC(F)(F)F)cc1	1320125140	PSBBHVJEWVOZCS-UHFFFAOYSA-N	309.269	1.444	50	20	DDGD	
CS[C@H]1CN(S(=O)(=O)CCCCCl)C[C@@H]1N(C)C	780823775	USDSSHQUKGWSJF-QWRGUYRKSA-N	314.904	1.313	50	20	DDGD	
NC(=O)Cc1occc1C(=O)NNc1nccnc1C1CCC1	1328722336	IGOBBTLRZZFLNV-UHFFFAOYSA-N	315.333	1.122	50	20	DDGD	
O=C(CCO)NN=C1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]12	1330721757	QWVBUPGLXBGNCB-DOTOQJQBSA-N	315.417	1.916	50	20	DDGD	
Cc1ccc2c(c1)C(=NNC(=O)c1n[nH]c3c1CCCC3)C(=O)N2	1337165747	SWZIBCSKQYIPQR-UHFFFAOYSA-N	323.356	1.683	50	20	DDGD	
CC(C)CN1CCC[C@H]1C(=O)NNC(=S)NCC1CCC1	1336552707	YYVVNTQVMCVSMH-ZDUSSCGKSA-N	312.483	1.402	50	20	DDGD	
COc1nc(Cl)c(C=NNC(=O)c2ccc(N)cc2)n1C	1330304196	AQRLGMNIMDZKSR-UHFFFAOYSA-N	307.741	1.428	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H](CO)CC2CCC2)c1	1331325455	OFJIZRWHDCCODC-LLVKDONJSA-N	311.407	1.552	50	20	DDGD	
CCOc1cc(C=NNC(=O)CCO)cc(Cl)c1OC	1330905584	YLQGYEIGKOWOCQ-UHFFFAOYSA-N	300.742	1.580	50	20	DDGD	
CC(C)(C)Oc1cccc(NC(=O)C(=O)NNC(=O)C2CC2)c1	1336662076	VOTMRJYYAVHZID-UHFFFAOYSA-N	319.361	1.360	50	20	DDGD	
CCOc1ccc(C(CC)=NNC(=O)C(=O)OC)cc1OCC	1339879312	QWMGJPMOIGCWQC-UHFFFAOYSA-N	322.361	1.887	50	20	DDGD	
CN[C@@H](C)CCNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	1331465721	CJVYVBPVAJFSMC-GVMDUPDNSA-N	322.453	1.531	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@H]1CCC[C@@H]1OC	1338996406	QQOGSPMJZQFMRC-CABZTGNLSA-N	310.325	1.871	50	20	DDGD	
CNC[C@@H](C)CNC(=O)NNC(=O)c1cccc2cccnc12	1348554382	BTBRFTJUSOHUND-LLVKDONJSA-N	315.377	1.034	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](C)[C@H]2CN(C)CCN2C)cc1F	1263778798	RSGNYAPXJJJRPM-SWLSCSKDSA-N	323.416	1.395	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1F	1602448942	XCXVNGSSYAPLAN-LODQBSKSSA-N	306.293	1.390	50	20	DDGD	
Cc1cccc(C(=O)C(=O)NNc2ccc(CC(=O)O)cc2)c1	1600511229	VEDJPCRTWQVCBD-UHFFFAOYSA-N	312.325	1.948	50	20	DDGD	
CC[C@@H](NNC(=O)c1ccc(Br)s1)C(=O)O	1609930230	FHWAQFRXIGZTCU-RXMQYKEDSA-N	307.169	1.608	50	20	DDGD	
O=C(O)CCCNC(=O)NNC(=O)c1nc2ccccc2s1	1606179204	ZHJXNIJRUZBROV-UHFFFAOYSA-N	322.346	1.105	50	20	DDGD	
Cn1c(C(=O)NNc2ccc(F)c(F)c2)ccc1-c1nn[nH]n1	1606213069	GHHRBJVHOKWIRT-UHFFFAOYSA-N	319.275	1.240	50	20	DDGD	
Cc1cc(C(=O)O)ccc1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	1610441701	LARDXSZBLQUPTM-ONGXEEELSA-N	321.333	1.271	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)C(=O)O)cc1	1610040996	NTUZCWDCNZRUED-MJWAUXSNSA-N	317.297	1.578	50	20	DDGD	
CC1(C)CNC[C@@H]1NS(=O)(=O)c1ccc(CCCl)cc1	1576477101	QAJKKYHWZBBJIQ-ZDUSSCGKSA-N	316.854	1.744	50	20	DDGD	
N[C@H]1CCCCCC[C@H]1C(=O)NNC(=O)c1cccc(F)n1	1580183109	LUVGDSAQAXKIFA-MNOVXSKESA-N	308.357	1.279	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@@H]1CCCNCC1	1580566050	ITQJNQMGRYZPAS-GFCCVEGCSA-N	314.389	1.248	50	20	DDGD	
NCCc1ccc(C(=O)NNC(=O)NC2CCCCC2)cc1	1580314948	CPFMAPBREBXMMS-UHFFFAOYSA-N	304.394	1.465	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)CCOC)C2	1845164232	UHJGBBIFYGYZJW-LLVKDONJSA-N	302.802	1.244	50	20	DDGD	
CCOCCC(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1596897561	SICHPHGWKRSUHG-UHFFFAOYSA-N	301.368	1.006	50	20	DDGD	
CCn1cc([N+](=O)[O-])c(C(=O)NNc2cccc(C(=O)O)c2)n1	1597899343	IBABWNFHNOIDOP-UHFFFAOYSA-N	319.277	1.266	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc(Cl)c(-c2nn[nH]n2)c1	1593158445	SXOQUAUXPFXVTH-UHFFFAOYSA-N	320.740	1.081	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNc2cccc(C(=O)O)c2F)CCC1=O	1594203792	PZCQGGRKOYKGCF-DTWKUNHWSA-N	308.309	1.972	50	20	DDGD	
CC(C)(CO)CCCNC(=O)NNc1ccc(CC(=O)O)cc1	1590782406	HGGOYEUMAZRORM-UHFFFAOYSA-N	323.393	1.739	50	20	DDGD	
Cn1cc(C(=O)O)cc1C=NN(CCO)C(=O)OC(C)(C)C	1776110423	CCJFJVZHUDBEOX-UHFFFAOYSA-N	311.338	1.287	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=C(C)c1cc(C(=O)O)c(C)nc1C	1776102399	OTPRFYHETVDCSN-UONOGXRCSA-N	319.361	1.662	50	20	DDGD	
Cn1ccnc1SCC(=O)NNC(=O)c1ccc(Cl)cc1	5358974	MAQROZKBABXUGK-UHFFFAOYSA-N	324.793	1.627	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC1CC1)[C@@H](O)CCl	1795767389	DTUZAKZSNSADDS-RNJOBUHISA-N	314.813	1.024	50	20	DDGD	
CC(=O)N(C)c1ccc(NC(=O)NNc2ncccn2)cc1	158743219	RWFVTDMMVGIWKB-UHFFFAOYSA-N	300.322	1.608	50	20	DDGD	
Cc1ccc(OCCCC(=O)NNC(=O)c2cc(C)n[nH]2)cc1	153020944	XWTKGRYTBCXERL-UHFFFAOYSA-N	316.361	1.647	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1ccc(-n2cccc2)nc1	153551166	GNGIUDCQCAQYGK-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
CCCCOc1ccc(NC(=O)NNC(=O)CN(C)C)c(C)c1	155858353	FBFHAVARYOUTAI-UHFFFAOYSA-N	322.409	1.888	50	20	DDGD	
N#Cc1ccc(NNC(=O)CCNC(=O)Cc2ccccc2)cc1	155408295	NBKLHUZTFGFXRW-UHFFFAOYSA-N	322.368	1.750	50	20	DDGD	
CS[C@H](C)CC(=O)NNC(=O)Cc1c[nH]c2ccccc12	155467653	BMNONGBDOOHOSC-SNVBAGLBSA-N	305.403	1.999	50	20	DDGD	
CC[C@@H]1CCC[C@@H](NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)C1	155955681	JLWASNSWVAKJCR-YRGRVCCFSA-N	317.455	1.336	50	20	DDGD	
CNC(=O)c1ccc(CN(C)S(=O)(=O)CCCCl)cc1	37842647	JFKWBVPZPIRSTB-UHFFFAOYSA-N	318.826	1.437	50	20	DDGD	
CC(C)(C)C(=O)N1CCC(NS(=O)(=O)CCCCl)CC1	37843427	HSPZOKYBDPHXGT-UHFFFAOYSA-N	324.874	1.572	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cc(C(C)C)[nH]n2)c1O	54144109	KWCWGUNRUNMASY-UHFFFAOYSA-N	318.333	1.322	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Cc2c(F)cccc2Cl)cn1	117680966	XXBZFJVMNDQGCH-UHFFFAOYSA-N	310.716	1.216	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NC[C@@H]1CCCCO1	109032640	IVPPMELZUJPIGR-LBPRGKRZSA-N	309.341	1.268	50	20	DDGD	
ICCN1CC[C@H](N2CCCCC2)C1	759358534	APFGMQPDNJSWDF-NSHDSACASA-N	308.207	1.982	50	20	DDGD	
CCc1[nH]nc(C(=O)NNC(=O)c2ccc(C)s2)c1[N+](=O)[O-]	171804407	QKSBAOUIRUTFJW-UHFFFAOYSA-N	323.334	1.325	50	20	DDGD	
CC[C@H](COC)NC(=O)NNC(=O)c1cc2ccccc2o1	176287012	ZYNVHCNMGPZYPW-LLVKDONJSA-N	305.334	1.802	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F	116165821	KFTBKVAVEPKWIZ-NXEZZACHSA-N	319.311	1.868	50	20	DDGD	
O=C(NCC1CCOCC1)NNC(=O)c1cc2ccccc2o1	176053674	JQRRWPSHOPNNBH-UHFFFAOYSA-N	317.345	1.803	50	20	DDGD	
Cc1cc(C)c(OCC(=O)NNc2nnc(C)c(O)n2)c(C)c1	23309381	ZXEWULKJBHBDCD-UHFFFAOYSA-N	317.349	1.333	50	20	DDGD	
CC(C)SCC(=O)NNC(=O)c1ccc2c(c1)OCCO2	23129764	MAUAATHGGLENOG-UHFFFAOYSA-N	310.375	1.360	50	20	DDGD	
CCOC(=O)/C(C#N)=C/NNC(=O)CCc1ccc(OC)cc1	67182314	STLFEELIFBKLPI-ACCUITESSA-N	317.345	1.219	50	20	DDGD	
O=C(NNC(=O)c1csc(Br)c1)NC1CC1	64900524	KJVXCTRVBUECDX-UHFFFAOYSA-N	304.169	1.617	50	20	DDGD	
COc1ccnc(C(=O)NNC(=O)Cc2ccc(F)cc2)c1	116164045	BRIMHVHRHPOBIZ-UHFFFAOYSA-N	303.293	1.233	50	20	DDGD	
COC[C@H](C)CNC(=O)NNC(=O)c1ccc2ccccc2n1	170890285	CNZMVPLFFAYBMY-LLVKDONJSA-N	316.361	1.461	50	20	DDGD	
Cc1nn(C)c(C)c1C[C@H](C)C(=O)NNC(=O)c1ccc[nH]1	172970766	UADNWYZHRQPHAY-VIFPVBQESA-N	303.366	1.005	50	20	DDGD	
CO[C@H](C)CCC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	182969919	BKAJQHOVTMKMTG-GHMZBOCLSA-N	312.341	1.556	50	20	DDGD	
CC(=O)Nc1cccc(C(=O)NNC(=O)c2ccc(C)o2)c1C	188631273	ZMSFFOUJHGSCPB-UHFFFAOYSA-N	315.329	1.930	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)NCC2(CC(C)C)CC2)n1	127531436	ICZLDGONYACHKN-UHFFFAOYSA-N	321.425	1.657	50	20	DDGD	
CSCC[C@H](C)NC(=O)NNC(=O)c1cccc(N(C)C)c1	77802748	HSYDIJACMOWPHA-NSHDSACASA-N	324.450	1.838	50	20	DDGD	
CC(C)(C)c1cc(C(=O)NNC(=O)CO)cc(C(C)(C)C)c1O	184155858	KVNXQWLQTIFDRQ-UHFFFAOYSA-N	322.405	1.741	50	20	DDGD	
Cc1cc(NNC(=O)CN(C)C(=O)c2cccs2)nc(C)n1	128867733	FNLKMRZQFOXMIC-UHFFFAOYSA-N	319.390	1.370	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)/C=C\c2ccco2)c1	33472373	UACKNPAJEDFHIS-WAYWQWQTSA-N	316.313	1.771	50	20	DDGD	
CCc1cc(C(=O)NNc2ccc(C(F)(F)F)nn2)[nH]n1	124364764	BJSJVNATFMMOAG-UHFFFAOYSA-N	300.244	1.538	50	20	DDGD	
O=C(NNC(=O)c1ccccc1)C(=O)Nc1cc(F)ccc1F	181984733	JFZWHFIDFZWLSM-UHFFFAOYSA-N	319.267	1.365	50	20	DDGD	
Cc1ccc(NCC(=O)NNC(=O)c2ccc(C)cc2O)cc1	121298299	FBZUWSPJSIZMJU-UHFFFAOYSA-N	313.357	1.882	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc2ccccc2c1	124761353	TUGCJXJARPMMBJ-NSHDSACASA-N	313.357	1.972	50	20	DDGD	
CC1(CCNC(=O)NNc2cc(F)c(F)c(F)c2)OCCO1	185116774	GYJZYGHVQBEDQY-UHFFFAOYSA-N	319.283	1.883	50	20	DDGD	
O=S(=O)(CBr)NCc1ccc2c(c1)OCO2	126606867	RJCZUEWORQJBQF-UHFFFAOYSA-N	308.153	1.187	50	20	DDGD	
O=C(CO)NNC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1	182768894	BGDCMZDMHUWANW-UHFFFAOYSA-N	322.267	1.510	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)N1CCc2ccc(C)cc21	124709693	RBVIVNUEGJJZLH-LLVKDONJSA-N	303.362	1.078	50	20	DDGD	
NC(=O)c1cccc(CCNS(=O)(=O)CCCCCl)c1	187130958	FXSZYRUDZJNOAU-UHFFFAOYSA-N	318.826	1.266	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1ccc(-c2ncn[nH]2)cc1	184469167	YTSSFANXUWERFP-UHFFFAOYSA-N	313.361	1.813	50	20	DDGD	
CCNc1ncc(C(=O)NNC(=O)CNc2ccccc2)s1	125235776	UEOUKVAFVGPXGV-UHFFFAOYSA-N	319.390	1.448	50	20	DDGD	
O=S(=O)(CCCCCl)N[C@H]1c2ccccc2C[C@@H]1O	184470711	CWIZNCPDKIMBNJ-STQMWFEESA-N	303.811	1.583	50	20	DDGD	
COc1ccc2c(c1)OC[C@@H](C(=O)NNC(=O)c1ccc[nH]1)C2	133309149	YSWLCMSUCHSYGR-NSHDSACASA-N	315.329	1.036	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CCCc1nc(C(C)(C)C)no1	77220565	SGSOVLRFGSXJIK-UHFFFAOYSA-N	310.398	1.883	50	20	DDGD	
CCNC(=O)NNC(=O)c1cnn(-c2ccccc2)c1C1CC1	139192063	UNLQAZBPUMNJML-UHFFFAOYSA-N	313.361	1.714	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)c2cc3occc3[nH]2)c1	132806402	ZPJAWZMNHPSGJS-UHFFFAOYSA-N	312.329	1.902	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NCC[C@@H]1CCCCO1	181798340	WWUFTHNGZKONPU-ZDUSSCGKSA-N	323.368	1.658	50	20	DDGD	
Cc1c([C@@H](C)NC(=O)NNC(=O)c2ccccc2O)cnn1C	47007175	MDXWOMGBBOOTNI-SECBINFHSA-N	317.349	1.139	50	20	DDGD	
COCC(C)(C)C(=O)NNC(=O)Cn1ccc2ccccc21	131739147	WKYRKNJIENWUNZ-UHFFFAOYSA-N	303.362	1.461	50	20	DDGD	
O=C(Cc1ccc(F)c(F)c1)NNC(=S)NCC1CCC1	88278813	AYZFUWAEZGZNEQ-UHFFFAOYSA-N	313.373	1.803	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)COC)c1C	192567331	FAMGSNRZYDNLFI-RGZVIEDOSA-N	319.405	1.809	50	20	DDGD	
O=C(NNC(=O)[C@@H]1COc2ccc(F)cc2C1)c1ccncc1	134514084	JIFDQIJTLVFCDG-LBPRGKRZSA-N	315.304	1.233	50	20	DDGD	
COC(=O)NNC(=O)c1cc(Br)c(F)cc1F	192329138	YQDGHTSKWCXIQP-UHFFFAOYSA-N	309.066	1.728	50	20	DDGD	
CCC1CC(=O)C(=CNNC(=O)c2ccc(O)cc2)C(=O)C1	194957999	KPZFZKAIHQNGHF-UHFFFAOYSA-N	302.330	1.469	50	20	DDGD	
O=C(NNC(=O)c1ccc(-n2ccnn2)cc1)c1ccccc1	89598782	JSWOZKYVKFHZHP-UHFFFAOYSA-N	307.313	1.342	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@H]1CCOc2c(F)cccc21	190999279	XPVVUZUZUJRAIN-NSHDSACASA-N	318.308	1.622	50	20	DDGD	
COc1ccc(C(=O)NNc2ncccn2)c(OC(F)F)c1	190084229	UXIXGMMSDDJMRK-UHFFFAOYSA-N	310.260	1.844	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccnc(-n2ccnc2)c1	194382624	HVZBYWUXYFAJEK-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
CSCC[C@@H](NC(N)=O)C(=O)NNc1ccccc1F	269602505	IYEFMMNXDYRRJH-SNVBAGLBSA-N	300.359	1.059	50	20	DDGD	
O=C(NNc1cnccn1)C1CCN(Cc2ccccc2)CC1	265130024	FSGKXDCIRUSQBT-UHFFFAOYSA-N	311.389	1.832	50	20	DDGD	
CCOc1cc(C(=O)NNC(=O)N(C)C)cc(Cl)c1O	273939578	JPOSMXQFGVVNQS-UHFFFAOYSA-N	301.730	1.360	50	20	DDGD	
O=S(=O)(CCCCCl)NCc1cn2ccccc2n1	275498679	LEVLLPRWMAJUIS-UHFFFAOYSA-N	301.799	1.773	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)NOC1CCCC1	271666600	MDSDXHGFQVTLAZ-UHFFFAOYSA-N	302.334	1.986	50	20	DDGD	
COC1(C(=O)NNC(=O)COc2ccc(F)cc2)CCCCC1	274643340	ZWBNOAKGTDANQE-UHFFFAOYSA-N	324.352	1.701	50	20	DDGD	
C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NNc1cc(Cl)ccn1	272325310	MJFZPVVFSHIPFC-CABZTGNLSA-N	309.801	1.844	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@H]2COC3(CCCC3)O2)nc1	276036198	WXGOUMCNDGENPT-LBPRGKRZSA-N	322.365	1.402	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1[nH]c(C)c(C(=O)OCC)c1C	271261111	IMWJATZUXNYGIY-UHFFFAOYSA-N	310.354	1.114	50	20	DDGD	
CC(C)(C)[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc[nH]2)CCO1	270709511	BKUDWVKXHIQNKQ-JQWIXIFHSA-N	308.382	1.552	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)C1=CCCCCC1	274690984	PZVGHAZLJDZRBF-UHFFFAOYSA-N	304.346	1.809	50	20	DDGD	
CC(C)[C@H](NC(=O)c1ccco1)C(=O)NNc1ncccc1F	286107103	VWFXFWFRMGASBR-LBPRGKRZSA-N	320.324	1.711	50	20	DDGD	
CSSCCNC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O	375904233	UAOAYJAKTRNPJA-RNFRBKRXSA-N	316.370	1.571	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	281155209	OSTWJXZQHGCHCM-INIZCTEOSA-N	316.361	1.653	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)Nc1cc(F)cc(F)c1	282636661	ABONCWRWQBVCBZ-QMMMGPOBSA-N	301.293	1.933	50	20	DDGD	
CO[C@@H]1CCN(C(=O)NNC(=O)c2ccc(C)s2)[C@@H](C)C1	281592610	FQHYAQCTCRVGOO-GXSJLCMTSA-N	311.407	1.910	50	20	DDGD	
O=C(CO)NNC(=O)Nc1ccc(N2CCCCCC2)cc1	801777230	BDOCNMRZCHJQKN-UHFFFAOYSA-N	306.366	1.212	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNc2ccccc2F)nc1Cl	807119252	ZYCKULTVQBADRM-UHFFFAOYSA-N	308.700	1.730	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)c2ccc(OC)nc2)cc1	802060943	NQKWRRWNTDTVKI-UHFFFAOYSA-N	316.317	1.565	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H]2C[C@]23CCc2ccccc23)O1	294209875	LPHKQVPWXILXMO-HEWDHTHVSA-N	314.385	1.605	50	20	DDGD	
CN(NC(=O)c1c(F)ccc(O)c1O)C(=O)OC(C)(C)C	298130045	AKVOEWADDOXUKQ-UHFFFAOYSA-N	300.286	1.749	50	20	DDGD	
O=C(CO)NNC(=O)c1cccc2cccc(Br)c12	807196317	STNLQVMXUJMQIZ-UHFFFAOYSA-N	323.146	1.356	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1C[C@@]1(C)C(C)C	807372139	ZHSLXNNXGHRHEQ-RISCZKNCSA-N	300.399	1.605	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1	804162945	XKAFAOWSHRFXFT-LBPRGKRZSA-N	318.352	1.327	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H]2CCCN2C)c1C	299531625	NIJNCJJZKQKFLV-ZIAGYGMSSA-N	319.405	1.312	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1nnc[nH]1	298253785	FJMSJZUQTCIEGD-IUCAKERBSA-N	312.374	1.187	50	20	DDGD	
O=C(NNc1ncncc1F)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	292969255	IFJTVQXWCTWOGE-GDPRMGEGSA-N	307.329	1.199	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2ccc(Cl)cc2O)CCC1	806537239	UMIONKVXXWVKHN-UHFFFAOYSA-N	312.753	1.623	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	803787383	WNUZSOWQIPYFPD-INIZCTEOSA-N	317.345	1.239	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCCC2)NNC(=O)N1CCOCC1	299376476	MJVDNFDAVFJOQP-UHFFFAOYSA-N	317.389	1.181	50	20	DDGD	
Cc1cccc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c1C	298086305	LBEWFNUFSLJLPG-CYBMUJFWSA-N	310.419	1.409	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)[C@H](C)[C@@H](C)COC)nc1C	812545648	XIAPVLCTWJQKPM-VHSXEESVSA-N	324.381	1.323	50	20	DDGD	
CC(=O)C1(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)CC1	814722961	SSUDHBYBWRPPGP-UHFFFAOYSA-N	304.390	1.719	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2snnc2C2CC2)n1	810956408	BIFRWHBFFAPYGF-UHFFFAOYSA-N	311.758	1.198	50	20	DDGD	
Cn1ncc2ccc(CNC(=O)NNc3cccc(F)n3)cc21	812916590	XQMXCOMEJVCSFK-UHFFFAOYSA-N	314.324	1.934	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)Cn2ccc3ccccc32)n1C	811641845	SPMWJAWZVJNSAS-UHFFFAOYSA-N	324.388	1.591	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCO[C@H](OC)C2)cc1	819480287	ALOJIXIYRISINB-DKGMDFAASA-N	316.357	1.824	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)N2CC[C@H](n3cccn3)C2)c1	812882841	NETBSQKCZUOEPJ-AWEZNQCLSA-N	324.344	1.056	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H]1C[C@@H](c2ccccc2)OC1=O	813423386	CWXVDQKWSJMGPY-OLZOCXBDSA-N	319.361	1.421	50	20	DDGD	
C[C@H]1C(=NNC(=O)c2cnn(C)c2)CC[C@@H](C(=O)O)C1(C)C	814852472	ZZYXAMLVNBDJFB-ONGXEEELSA-N	306.366	1.663	50	20	DDGD	
CCOC(=O)c1c(C)[nH]c(C=NNC(=O)Cc2cc[nH]n2)c1C	814954736	LFTLOZQOCNMNNZ-UHFFFAOYSA-N	317.349	1.224	50	20	DDGD	
CCOc1ccccc1OCC(=O)NN=C(C)c1cnnn1C	814722597	GWJYXIMBCUAKBB-UHFFFAOYSA-N	317.349	1.133	50	20	DDGD	
N#Cc1ccc(NCC(=O)NNC(=O)NC2CCCC2)cc1	726940088	GVDSRAPLCJZGRJ-UHFFFAOYSA-N	301.350	1.243	50	20	DDGD	
COC(=O)N(C)CCCC(=O)NNC(=O)CCc1ccccc1	729353978	IFDDRAGTMYBGFD-UHFFFAOYSA-N	321.377	1.245	50	20	DDGD	
N#Cc1cccc(NNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1	729618591	JTDNCNFYRDXMHS-LSDHHAIUSA-N	315.377	1.048	50	20	DDGD	
CC(C)(C)OC(=O)[C@@]1(C(=O)NNc2ncccn2)CC1(C)C	820935360	RDUICEKFRRQJPR-HNNXBMFYSA-N	306.366	1.678	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)n1	822208988	POJCXUSABBCDNF-MISXGVKJSA-N	306.410	1.720	50	20	DDGD	
O=C(CSC[C@@H]1CCCCO1)NNC(=O)c1ccncc1	727363149	RXTDRYWWLPJQCL-LBPRGKRZSA-N	309.391	1.145	50	20	DDGD	
CCC(CC)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	495207891	OZJHDFPHQJLNAF-UHFFFAOYSA-N	301.387	1.485	50	20	DDGD	
CN(CCc1ccccc1)CC(=O)NNc1ncc(Cl)cn1	824804313	HQAJOVBGEOAIPG-UHFFFAOYSA-N	319.796	1.748	50	20	DDGD	
OB(O)c1cccc(CNC[C@@H]2[C@H]3CCc4ccccc4[C@H]32)c1	585027976	CFIABXYKVCYIHQ-GUDVDZBRSA-N	307.202	1.432	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNc2ncncc2F)cc1OC	492882949	ADVIBVHTLFVPSF-XQRVVYSFSA-N	318.308	1.789	50	20	DDGD	
CC(C)CSCCCNC(=O)c1cc(B(O)O)ccc1F	584967184	QZQSJXNQWGFFCS-UHFFFAOYSA-N	313.203	1.015	50	20	DDGD	
CC(C)COC(=O)N1CCC(=NNC(=O)c2ncccn2)CC1	496283983	NBQDFLBZOLYJPO-UHFFFAOYSA-N	319.365	1.451	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCC[C@@](C)(O)c2ccccc2)cn1	491109101	ZIUSDOCQSUNFJG-SPQRHKFCSA-N	324.384	1.741	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1c(Cl)cccc1Cl	495841016	NLJRYYYJVAZGCW-UHFFFAOYSA-N	313.162	1.885	50	20	DDGD	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C/c2cnccn2)cc1	491084700	OTUWHLJPQQXODO-UKTHLTGXSA-N	321.340	1.724	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cc(C(F)(F)F)nn2C)o1	826757858	HLKSLUDMOBTLRS-UHFFFAOYSA-N	316.239	1.415	50	20	DDGD	
C[C@@H]1OC(=O)N[C@@H]1C(=O)NNc1ccccc1OC(F)(F)F	497054021	LPIKLYMUUYWVMP-RCOVLWMOSA-N	319.239	1.525	50	20	DDGD	
CN(CCNC(=O)[C@]1(C)C[C@@H]1Br)CC(F)(F)F	906662730	NHZKIBFIFJWAFQ-IONNQARKSA-N	317.149	1.770	50	20	DDGD	
CN(C)C1(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)CC1	820122021	PSTASGIZGVERMJ-UHFFFAOYSA-N	314.345	1.197	50	20	DDGD	
CCC1(CC)[C@H](OC)C[C@H]1N(C)CC(=O)NNC(=O)C(C)C	828384274	HIKFWORPOLNIEA-CHWSQXEVSA-N	313.442	1.315	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1ccccc1Cl	825535019	XSZVANUCHQGCIX-MWLCHTKSSA-N	311.769	1.595	50	20	DDGD	
O=[S@](c1ccc(N2CC[C@@H](B(O)O)C2)cc1)C(F)(F)F	900964960	IZRUPIXBAGHHJQ-ZPWHCFADSA-N	307.102	1.367	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](CO)Cc1ccc(C)c(C)c1	491005958	CSSFRDKTBDXATR-UVQBRAAOSA-N	302.374	1.767	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)c1C	905099440	WXBCXQSOHDNVEX-LERXQTSPSA-N	317.414	1.846	50	20	DDGD	
O=C(/C=C\[C@H]1CCOC1)NNc1cccc(Br)n1	493042852	CXWUHHONGDPHQC-WBSSQXGSSA-N	312.167	1.880	50	20	DDGD	
CSC[C@@H](NCc1ccc(B(O)O)cc1F)c1ccccc1	585028341	JNRVDLFRBBLUFI-MRXNPFEDSA-N	319.210	1.699	50	20	DDGD	
COC[C@@]1(CO)CCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)C1	491012359	QYEDTYNHWSNCIG-AAKUMTKESA-N	318.348	1.590	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1CCCC1=NNC(=O)Cc1cc[nH]n1	495649719	DWUZAQFBTWGLLA-NSHDSACASA-N	321.381	1.502	50	20	DDGD	
CO[C@H](C=NNC(=O)Cc1ccc(F)cc1)C1CCOCC1	834930474	GTORSUBZHVYYIZ-OAHLLOKOSA-N	308.353	1.912	50	20	DDGD	
Cc1ccc2c(c1)N([C@H](C)C(=O)NNC(=O)CC(C)C)CC2	732199588	KBDYHPNIILINOC-CYBMUJFWSA-N	303.406	1.940	50	20	DDGD	
C=CCC1(CNC(=O)NNC(=O)C(=O)N2CCCC2)CCCC1	838697615	GZNZMDRNPPOCJY-UHFFFAOYSA-N	322.409	1.076	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2	837378640	ROURNZNWCQWAAM-IACUBPJLSA-N	316.357	1.218	50	20	DDGD	
CC(C)CCn1ccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)n1	836460926	AXDBJNWWHHSIMR-LBPRGKRZSA-N	323.397	1.651	50	20	DDGD	
C[C@@]1(C(=O)N2CCC(CC(N)=O)CC2)C[C@H]1Br	906237696	AFPZPXOUDNDLFS-BXKDBHETSA-N	303.200	1.274	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1)c1nccs1	732622139	MTVIMERZNHFZNX-WOPDTQHZSA-N	324.450	1.729	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CCCn2ccnc2)cc1F	837051743	NGENYFPBUVHOPS-UHFFFAOYSA-N	320.324	1.732	50	20	DDGD	
COCCCNC(=O)NN=Cc1ccc(Br)cn1	733747728	XIEAIFPCHSAWOD-UHFFFAOYSA-N	315.171	1.514	50	20	DDGD	
C/C(=C\C(=O)NNC(=O)c1c[nH]nc1C)c1ccc(F)cc1	731878749	HGXWLCCLQALEQX-VQHVLOKHSA-N	302.309	1.722	50	20	DDGD	
CC(C)C1CCC(C#N)(NC(=O)c2cccc(B(O)O)c2)CC1	584972031	LCWNRCCRJOXCJK-UHFFFAOYSA-N	314.194	1.205	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCc3sc(Cl)cc32)cc1	585040372	DKHFQNRREQHPHK-GFCCVEGCSA-N	307.611	1.858	50	20	DDGD	
COC1CCC(CC(=O)NNc2ccc(C(=O)O)cn2)CC1	833720105	ZANBTQLMDWGXLQ-UHFFFAOYSA-N	307.350	1.818	50	20	DDGD	
CC(C)(C)S(=O)(=O)CC(=O)NNc1ccccc1C(=O)O	833447628	YRMBKZLCGSAEBV-UHFFFAOYSA-N	314.363	1.041	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)c2ccccc2n1	907955169	YUUZHUMQMPORRW-HFBAOOFYSA-N	323.352	1.529	50	20	DDGD	
C[C@@H](NC(=O)c1ccc(B(O)O)cc1)c1cccc(C2CC2)c1	584994828	OFUXAHDQLUDRQG-GFCCVEGCSA-N	309.174	1.735	50	20	DDGD	
O=S(=O)(CCl)NCCOc1ncc(Cl)cc1Cl	830868371	BYLCONOUKVBTDE-UHFFFAOYSA-N	319.597	1.883	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C(C)(C)c2ccccc2)cn1	731174995	KTKNRZZPKHVJBE-UHFFFAOYSA-N	313.357	1.829	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F	910169302	AITJRJKVPAUEJC-QMMMGPOBSA-N	322.331	1.614	50	20	DDGD	
Cc1noc(C2CC2)c1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	831667247	OVMQVEGTNUOMRE-SCZZXKLOSA-N	308.338	1.438	50	20	DDGD	
CC(C)N(C)c1ccc(C=NNC(=O)[C@H]2CCCCO2)cn1	834985142	GIHKVLXHTMIZKE-CQSZACIVSA-N	304.394	1.945	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)[C@H]1CCCN1c1ncccn1	837206223	JTTNHZQXDAXZFU-LLVKDONJSA-N	320.303	1.262	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCc2csc(N(C)C)n2)n1	747508024	RPDICOXXJIJWEC-UHFFFAOYSA-N	321.410	1.442	50	20	DDGD	
O=C(O)NNC(=O)Nc1nnc(Cc2ccc(F)cc2)s1	740001545	CZGGUNDMTOQBDE-UHFFFAOYSA-N	311.298	1.572	50	20	DDGD	
NC(=O)C(=O)NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)s1	912779273	YQPKKKAXFDEOHB-UHFFFAOYSA-N	318.314	1.259	50	20	DDGD	
CN1CCC[C@H](CCNC(=O)NNC(=O)c2ccccc2)C1	838764021	CGZCPPBRXRMXKP-CYBMUJFWSA-N	304.394	1.363	50	20	DDGD	
CC(C)(C)Cc1ccccc1C(=O)NNC(=O)c1ncon1	832830725	USLDEYNUXQMAEB-UHFFFAOYSA-N	302.334	1.733	50	20	DDGD	
CCCn1c(C=NNC(=O)C(=O)NC(C)C)nc2ccccc21	917540760	CEMJTFIUVLGMRD-UHFFFAOYSA-N	315.377	1.421	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCc1cn2ccsc2n1	918059711	IOXVPERNFQWTRN-UHFFFAOYSA-N	321.284	1.179	50	20	DDGD	
CN(CCCS(N)(=O)=O)CCO[Si](C)(C)C(C)(C)C	844344503	ZSUYAQUUDLSHRL-UHFFFAOYSA-N	310.536	1.619	50	20	DDGD	
Cc1[nH]c2ccc(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)cc2c1C	843973521	IOAPIARKMYRSPD-DGCLKSJQSA-N	315.373	1.971	50	20	DDGD	
Cc1cc2ccccc2nc1NNC(=O)[C@@H]1CCCS1(=O)=O	847669700	JCOFIUSWFJQPRV-ZDUSSCGKSA-N	319.386	1.564	50	20	DDGD	
COCCOc1cccc(C(=O)NNC(=O)CC(F)(F)F)c1	919751387	SFHSVLPWJKZTAO-UHFFFAOYSA-N	320.267	1.425	50	20	DDGD	
Cc1ccn2cc(C(=O)NNc3ccnc(N(C)C)n3)nc2c1	740104117	CNSSQFBZVFAXRH-UHFFFAOYSA-N	311.349	1.256	50	20	DDGD	
O=C1C[C@H](CNC(=O)NNc2ccccc2C(F)(F)F)CN1	840399567	QBYBGHNJSRJLEH-QMMMGPOBSA-N	316.283	1.468	50	20	DDGD	
COCC[C@@H](C)CNC(=O)NNC(=O)c1ccccc1OC	840399756	RFUUKZBZFUQKSN-LLVKDONJSA-N	309.366	1.312	50	20	DDGD	
COC/C(C)=C/C(=O)NNc1ncc(Br)cn1	848322508	DSPRSHBASDCHFY-XVNBXDOJSA-N	301.144	1.275	50	20	DDGD	
Cc1ccc(Cl)c2c1NC(=O)C2=NNC(=O)[C@H]1CCO[C@@H]1C	842559778	XKBXQPWFSOVZEK-BDAKNGLRSA-N	321.764	1.846	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cccc1[N+](=O)[O-]	843658598	FIEMCFXPXWWNIL-JQWIXIFHSA-N	321.333	1.018	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CSCc2ccccc21	748256445	BGTWMLHEXYHPSJ-NSHDSACASA-N	308.403	1.805	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1c(C)nc([C@H](C)CC)nc1C	847390921	OSJJIHPTFKWWTJ-SECBINFHSA-N	307.398	1.500	50	20	DDGD	
Cc1cc(C)n2nc(C(=O)NNc3ccc(Cl)nc3)nc2n1	743818579	DJMOWMPJXNQOMT-UHFFFAOYSA-N	317.740	1.546	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1	840286285	KAHYURJCHGRKMQ-QWHCGFSZSA-N	320.349	1.829	50	20	DDGD	
O=C(NNc1ncnc2[nH]cnc12)[C@@H]1CCc2ccccc2C1	846635596	QAYQZIJDBPTNIN-GFCCVEGCSA-N	308.345	1.601	50	20	DDGD	
CN(CCCNC(=O)C1CCC1)C(=O)NNC(=O)C(C)(C)C	759019647	WIWYAPJXJSEYDY-UHFFFAOYSA-N	312.414	1.012	50	20	DDGD	
CCc1cc(CNC(=O)NNC(=O)c2cc(C)cs2)on1	858244700	FEEXMAIUSKEFTD-UHFFFAOYSA-N	308.363	1.751	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CC[C@H](c2ccc(F)cc2)C1	755995947	PXXACILIDXKHPJ-ZDUSSCGKSA-N	321.396	1.809	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)Nc2ccon2)c1	757850451	FLLAUGZIVVBTJF-UHFFFAOYSA-N	306.278	1.158	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H]1CCN(C)c2ccccc21	750725280	IVARHLUFQYBZET-ZDUSSCGKSA-N	304.394	1.741	50	20	DDGD	
Cc1nn(C)cc1C=NNC(=O)Nc1ccc(C(=O)O)cc1	755751035	TXUBKKKKDGRBNI-UHFFFAOYSA-N	301.306	1.582	50	20	DDGD	
CCO[C@H](CC(=O)NNC(=O)OCC(F)(F)F)C(C)C	856022270	WTQJJVOWJCGLHC-MRVPVSSYSA-N	300.277	1.757	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=C2CCCN(C)CC2)C[C@@H](C)O1	758100703	XUJPSZWQXJXNDJ-SOUVJXGZSA-N	324.469	1.320	50	20	DDGD	
NC[C@@H]1OCC[C@@H]1C(=O)NNc1ccccc1C(F)(F)F	852812722	FFWARIYKQSVURN-KWQFWETISA-N	303.284	1.512	50	20	DDGD	
Cc1cc(OCC(=O)NNc2ccc(C(F)(F)F)nn2)no1	755189347	ILXBKTSTSITIEG-UHFFFAOYSA-N	317.227	1.314	50	20	DDGD	
CCO[C@@H](C(=O)NNc1nc(-c2ccncc2)no1)C1CC1	859073307	RSHXOXAEGAEBHN-LLVKDONJSA-N	303.322	1.390	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)c1cnn2cccnc12	755189844	XBMYTMZZMJTVKM-UHFFFAOYSA-N	323.238	1.295	50	20	DDGD	
CO[C@@H]1CCC[C@H]1CNC(=O)NNC(=O)c1cc(C)cs1	858345357	AZKFCMXNTPFERR-WDEREUQCSA-N	311.407	1.816	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@@H](C)C[C@@H]1CCOC1	759751694	WREDAHZQZFMKGG-RYUDHWBXSA-N	321.377	1.454	50	20	DDGD	
C[C@@]1(CNC(=O)C2(C#N)CCOCC2)C[C@@H]1Br	857398681	TVEHMXLSSQAESL-ONGXEEELSA-N	301.184	1.596	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2cn(C)cn2)cc1	758091521	NYGKMSIUBLOWPR-UHFFFAOYSA-N	304.375	1.282	50	20	DDGD	
C#C[C@H](NC(=O)NNc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCO1	854003435	HXNHYCFRCQHOBL-AAEUAGOBSA-N	322.296	1.541	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)C1CCC2(CC1)CC2	857195181	BNCFTGSDWHWMLY-UHFFFAOYSA-N	323.418	1.748	50	20	DDGD	
COC(=O)[C@H]1CC[C@H]2C(=O)N(CCSSC)C(=O)N2C1	925339005	OMTNVLKFTGKVDT-IUCAKERBSA-N	318.420	1.213	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H](C)CN2CCC(C)CC2)nc1	852603979	XTXJDXUOCLREGP-ZDUSSCGKSA-N	321.425	1.837	50	20	DDGD	
C[C@@]1(CNC(=O)N2CCC(C(N)=O)CC2)C[C@H]1Br	856900170	JUTQEKSPDBOUGA-SKDRFNHKSA-N	318.215	1.067	50	20	DDGD	
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)CCCC1CC1	855832616	CPFRUJMETTXIEQ-UHFFFAOYSA-N	311.426	1.657	50	20	DDGD	
CCS(=O)(=O)C[C@@H](C)NC(=O)NNc1ccc(Cl)cn1	852193442	OJENXXKLYZQPKH-MRVPVSSYSA-N	320.802	1.184	50	20	DDGD	
COC(=O)[C@H](C)n1cccc1C=NNC(=O)OCC(F)(F)F	853429975	UVDILCLOUOOHMS-QMMMGPOBSA-N	321.255	1.845	50	20	DDGD	
C[C@]1(CNC(=O)CCOC2CCOCC2)C[C@H]1Br	857393955	NVZIAEZGZHAHGB-DGCLKSJQSA-N	320.227	1.862	50	20	DDGD	
COc1cncc(C=NNC(=O)[C@H](C)CN2CCC(C)CC2)c1	853279493	SCPODXYDHYRTES-CQSZACIVSA-N	318.421	1.908	50	20	DDGD	
CC(C)c1ncncc1C(=O)NNC(=S)N[C@@H](C)C1CC1	855101789	CBSHHWVWNBLTMT-VIFPVBQESA-N	307.423	1.507	50	20	DDGD	
CCN(C)C(=O)c1cccc(C(=O)NN[C@H](C)C(F)(F)F)c1	862312415	LLRLMPVLKIKBJJ-SECBINFHSA-N	317.311	1.964	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1ccc2c(c1)N(C(=O)CC)CC2	934185125	JWFQYKNVHWNGED-UHFFFAOYSA-N	320.349	1.768	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C2(C)CC2)cc(OC)c1OC	760236279	WVSJNDBQCDQYFR-UHFFFAOYSA-N	308.334	1.274	50	20	DDGD	
C/C(=C\C1CCC(C)CC1)C(=O)NNC(=O)C(=O)N1CCCC1	865070798	KQXVMOILHSLTGI-ACCUITESSA-N	321.421	1.529	50	20	DDGD	
CCOCCCNC(=O)/C(C#N)=C/c1ccc(F)c(C(=O)O)c1	863178058	ZIHOGEHTJJILOL-XYOKQWHBSA-N	320.320	1.974	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1sc(C)cc1C	866026788	MLPRYURKHXLEGM-UHFFFAOYSA-N	311.407	1.431	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@H]1CCO[C@@H](C(C)C)C1	932429992	UCYBNRRRMNSIHL-SWLSCSKDSA-N	320.389	1.907	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)NCC(F)(F)F)c(F)c1F	868027501	ICQDSGTVZMZTCM-UHFFFAOYSA-N	311.210	1.780	50	20	DDGD	
CC(C)(NS(C)(=O)=O)C(=O)NNc1ccc(F)c(Cl)c1	863080761	LYYCNOWLEXKKTQ-UHFFFAOYSA-N	323.777	1.250	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1	862123714	UYJBQBUBKOTGGU-YRORDHRNSA-N	320.389	1.905	50	20	DDGD	
COC(=O)CC1CCC(=NNC(=O)Cc2cccnc2)CC1	863090446	MFTMFLWDPURNOW-UHFFFAOYSA-N	303.362	1.850	50	20	DDGD	
COc1cccc(C(C)(C)C(=O)NNc2nccnc2OC)c1	868894604	SGOCEDMVHWVKPN-UHFFFAOYSA-N	316.361	1.915	50	20	DDGD	
Cn1ccc(C(=O)NNC(=O)c2cccc(OC(F)F)c2)c1	763345175	KOFBBAFYFCUNDA-UHFFFAOYSA-N	309.272	1.701	50	20	DDGD	
O=C1CC[C@H](C(=O)NN=C[C@H]2CCC[C@@H](C(F)(F)F)C2)N1	863150631	APLHZKKZWSKUIC-IVZWLZJFSA-N	305.300	1.736	50	20	DDGD	
C#CCCN1CCN(S(=O)(=O)CC(C)(C)CCl)CC1	866598915	VFBVZWYERFAWPN-UHFFFAOYSA-N	306.859	1.222	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1cccc(F)n1	764124713	ADLBDORKHBHASM-UHFFFAOYSA-N	300.253	1.423	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H](F)CC2CCCCC2)n[nH]1	869014729	BVCMFTVVLQBAIN-ZDUSSCGKSA-N	310.373	1.717	50	20	DDGD	
Cn1cnnc1COCC(=O)NNc1ccc(F)c(Cl)c1	863082386	KFVBJORMOHXAPE-UHFFFAOYSA-N	313.720	1.268	50	20	DDGD	
Cc1cc(=NNC(=O)CCCc2nc(C3CC3)no2)cc[nH]1	862511026	CZGUIXNXSMWTBH-UHFFFAOYSA-N	301.350	1.538	50	20	DDGD	
COC(=O)CNC(=O)NN=Cc1ccsc1C(F)(F)F	863106947	XBNPPBXJHIMAIS-UHFFFAOYSA-N	309.269	1.573	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)Nc1ccccn1	763476867	CCNYVBDVVBBFKH-UHFFFAOYSA-N	318.358	1.732	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccc(O)c(F)c1	768379185	QXDALNHKFLDDJA-UHFFFAOYSA-N	303.384	1.003	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@@H](C)c1c(F)cccc1F	1116418420	UDVOLMIYVROCBC-QMMMGPOBSA-N	301.362	1.972	50	20	DDGD	
Cc1cc(C(F)(F)F)nn1CC(=O)NN[C@H](C)C(F)(F)F	862319353	BUVLUIBCRZAYNN-ZCFIWIBFSA-N	318.221	1.782	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2c(C)nc3ccccn23)ns1	767468958	HVKJHEQUBQJUHO-UHFFFAOYSA-N	315.358	1.482	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1cccc(Cl)c1[N+](=O)[O-]	760906730	QPRAKCYPILYZBF-UHFFFAOYSA-N	311.660	1.934	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CC[C@H](C)OC)c1	874949886	HPGVCTGAACYGCW-NSHDSACASA-N	305.403	1.801	50	20	DDGD	
COCCOCC(=O)NN=Cc1nc(-c2ccccc2)cs1	872401448	VFYRIEOQYLLNEX-UHFFFAOYSA-N	319.386	1.923	50	20	DDGD	
C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)CCl)CC2)C1	1116437632	LBCSXGWSDJIETF-CHWSQXEVSA-N	315.845	1.064	50	20	DDGD	
Cn1nccc1NC(=O)NNC(=O)C(C)(C)c1ccccc1	775750671	GAGDIGSOVAGZDN-UHFFFAOYSA-N	301.350	1.551	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](F)Cc1ccccc1	772242486	SVMVNKGFLSHIGM-JQWIXIFHSA-N	310.325	1.056	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cccc2nccn12	771096062	BLTHGWNSUQNUMZ-UHFFFAOYSA-N	300.347	1.445	50	20	DDGD	
CCC[C@H](CC)C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1	877998920	JRRVODRVQHHSHG-IHRRRGAJSA-N	313.442	1.459	50	20	DDGD	
CCCCO[C@@H]1C[C@@H](NC(=O)NN(C)C(=O)OC)C1(C)C	875344484	JCIQOFRJFDJWTP-GHMZBOCLSA-N	301.387	1.883	50	20	DDGD	
CCOC(=O)c1n[nH]cc1/C=C(\C#N)C(=O)C1CCOCC1	1116890553	YGIQMWHAXVVYQD-YRNVUSSQSA-N	303.318	1.489	50	20	DDGD	
C[C@@H]1CC[C@H](C(=O)NNC(=O)c2cc(Br)c[nH]2)C1	776338081	FJVYYPJYYLIKCB-SFYZADRCSA-N	314.183	1.974	50	20	DDGD	
O=C(NNC(=O)C1(F)CCOCC1)c1cc(Cl)ccc1O	878020681	UEDXCOSSYPZFPE-UHFFFAOYSA-N	316.716	1.325	50	20	DDGD	
CC(Cc1ccc(Br)c(F)c1)=NNC(=O)CO	776780381	GXWQADVFYVUVNV-UHFFFAOYSA-N	303.131	1.615	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)CCc1ccc(OC)cc1	779823115	LMPJASYOQZDJPS-UHFFFAOYSA-N	307.350	1.476	50	20	DDGD	
CCOc1cc(Cl)ccc1C(=O)NNc1nccn(C)c1=O	779223114	FTADODFJIKPTIZ-UHFFFAOYSA-N	322.752	1.589	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1cc(C(=O)O)c(C)nc1C	776723884	FOIZNZROSFXDKZ-UHFFFAOYSA-N	313.317	1.341	50	20	DDGD	
CCNC(=O)NNC(=O)COc1cccc(OCC(C)C)c1	772791534	QZSPUZXIKXZCQM-UHFFFAOYSA-N	309.366	1.451	50	20	DDGD	
COc1cc(C=NNC(N)=O)c([N+](=O)[O-])cc1OCC(F)F	778533950	LPBSYWZFEYPJMN-UHFFFAOYSA-N	318.236	1.250	50	20	DDGD	
CC[C@@H](C)n1nc(C(=O)NNC(=O)NCCCOC)cc1C	778246072	NJINVNHIHYJSMA-SNVBAGLBSA-N	311.386	1.143	50	20	DDGD	
CC(C)C[C@H]1C[C@@H](NS(=O)(=O)CBr)CCO1	782476486	AFFIXHKLQRETFT-UWVGGRQHSA-N	314.245	1.852	50	20	DDGD	
CCCNC(=O)C1(NS(=O)(=O)CCCCl)CCCCC1	881855644	ZHFXXWRLYOIOFB-UHFFFAOYSA-N	324.874	1.764	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn(C3CC3)c2)cc1O	882052197	YRRCMMXPZNAXMK-UHFFFAOYSA-N	300.318	1.307	50	20	DDGD	
O=C(NC[C@H]1CCCCC1(F)F)NNC(=O)c1cccnn1	883671046	ZKMDUJBWUWXLMZ-SECBINFHSA-N	313.308	1.246	50	20	DDGD	
C[C@@H]1C[C@@H](CCNC(=O)NNc2ncncc2Cl)CCO1	781015812	ILUBRRAEWXZOLT-ZJUUUORDSA-N	313.789	1.961	50	20	DDGD	
O=S(=O)(CCCCl)N1CCC([C@@H](O)c2ncc[nH]2)CC1	882139935	GAQMMSSXJLQKDI-LLVKDONJSA-N	321.830	1.114	50	20	DDGD	
CCc1ccc([C@H](O)CNS(=O)(=O)CCCCl)cc1	882188253	LPRVOHBPBGWOIY-CYBMUJFWSA-N	305.827	1.831	50	20	DDGD	
COc1ccccc1CC(=O)NN=Cc1ccccc1C(N)=O	788714755	NMUUHDPJBLTUGJ-UHFFFAOYSA-N	311.341	1.487	50	20	DDGD	
Cc1c[nH]cc(C(=O)NNC(=O)c2cccc(Cl)c2)c1=O	781415402	OTHULPDKFPTYFK-UHFFFAOYSA-N	305.721	1.412	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NC[C@]1(O)CCSC1	781095861	BJFRNJNUVYQRGZ-GZMMTYOYSA-N	310.257	1.780	50	20	DDGD	
COc1cc(C(=O)N(C)C)ccc1NC(=O)NNC(=O)C(C)C	782582956	NCYPBEXQZHHHBH-UHFFFAOYSA-N	322.365	1.206	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNc2ncccn2)c(OC)c1	782076602	DYYUQXKAIUCSLI-UHFFFAOYSA-N	317.305	1.420	50	20	DDGD	
COc1cccc(/C=C(\C#N)C(=O)O[C@H](C(N)=O)C(C)C)c1	782447574	MHKQXVMWWBJWCV-GMMCIKNFSA-N	302.330	1.655	50	20	DDGD	
CC(C)C[C@H]1C[C@H](NS(=O)(=O)CBr)CCO1	782476488	AFFIXHKLQRETFT-ZJUUUORDSA-N	314.245	1.852	50	20	DDGD	
CC(C)(O)CCC(=O)NNC(=O)c1cc(Br)c[nH]1	786733680	BIBVLTPXFXCNDZ-UHFFFAOYSA-N	318.171	1.089	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)c2c[nH]c3ccccc23)cn1	794618309	FIMLUVWQASAFOU-UHFFFAOYSA-N	309.329	1.679	50	20	DDGD	
CN1CCCC(C)(C)[C@H]1CNC(=O)NNC(=O)C1CCCC1	790528477	QFWXNNOKXQAJAI-CYBMUJFWSA-N	310.442	1.627	50	20	DDGD	
COc1cc(C(=O)NNC(=O)NC2CC2)cc([N+](=O)[O-])c1C	790508143	BAVBOKIJVLZSGK-UHFFFAOYSA-N	308.294	1.018	50	20	DDGD	
COc1ccc(NNC(=O)c2cccc([N+](=O)[O-])c2OC)nc1	793889632	UYZBCYNTRPLHNP-UHFFFAOYSA-N	318.289	1.764	50	20	DDGD	
CC(C)(C#N)c1ccc(C(=O)NNC(=O)NCC2CC2)cc1	793207782	RJGLRVKWJSYIND-UHFFFAOYSA-N	300.362	1.842	50	20	DDGD	
Cn1cnc2cc(C=NNC(=O)c3ccc(O)c(O)c3)ccc21	794556728	DNKOMEUFSZDPKH-UHFFFAOYSA-N	310.313	1.748	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)c1cccc(N(C)C)c1	792838636	GDMHYJAHHMUXHI-RISCZKNCSA-N	307.394	1.575	50	20	DDGD	
CCOc1ccc(C(=O)NN=C2C(=O)OC[C@@H]2C)cc1OC	794877392	GERCEIAEPAURLL-VIFPVBQESA-N	306.318	1.373	50	20	DDGD	
COc1cc(CC(=O)N2CC=C(C#N)CC2)cc(OC)c1O	790010678	XAYHVLNQJDNKMF-UHFFFAOYSA-N	302.330	1.634	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)Cn2cccn2)c1	791277278	JXBUPACOGBATQN-UHFFFAOYSA-N	302.338	1.120	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H](C)c2c(C)nn(C)c2C)n1	794086298	GXMMUTYDINGHIQ-SNVBAGLBSA-N	315.377	1.305	50	20	DDGD	
CN(C)c1cccc(Cl)c1C=NNC(=O)C(=O)N1CCCC1	1319825392	WFLAMOWBILPHLW-UHFFFAOYSA-N	322.796	1.479	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H]2CSCCS2)cc1	1318441160	GWHUYCPPICJQEG-NSHDSACASA-N	312.416	1.305	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCCCN2CCCC2)cc1	1318523855	LRRIOUYEYAWJNL-UHFFFAOYSA-N	319.405	1.722	50	20	DDGD	
O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CC[C@H](B(O)O)C1	585058063	SCJQVYLMERWROD-ZETCQYMHSA-N	323.994	1.231	50	20	DDGD	
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NNC(=O)NC1CCCCC1	1318849395	AEKOAZZZGFMXKF-SNVBAGLBSA-N	321.425	1.868	50	20	DDGD	
CC[C@@H](NC(=O)NNC(=O)C(=O)OC)c1ccc(Cl)cc1	1319004484	VYTYFWGJIWGEIY-SNVBAGLBSA-N	313.741	1.295	50	20	DDGD	
CCN1CCC[C@@H](CNC(=O)NNC(=O)c2ccccc2C)C1	1323673370	FHWXCTNNKITAKZ-AWEZNQCLSA-N	318.421	1.671	50	20	DDGD	
Cc1cc(C=NNC(=O)C[N+](C)(C)C)ccc1Br	1322447181	XCEKSVRCIVGHMH-UHFFFAOYSA-O	313.219	1.914	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2cnn3c(C)cc(C)nc23)n1	1321074629	SWTMMELVYGYHJA-UHFFFAOYSA-N	324.344	1.124	50	20	DDGD	
O=C(CNC(=O)c1cc(Cl)ccn1)NNc1ccnc(F)c1	1320077118	ZVNPPGYWELGRGW-UHFFFAOYSA-N	323.715	1.142	50	20	DDGD	
COc1ccc(CC(=O)NNc2ccc(C(C)(C)C)nn2)nc1	1322918230	OFAQJOWNTURJIS-UHFFFAOYSA-N	315.377	1.864	50	20	DDGD	
CCSCC[C@H](C)NC(=O)NNc1nncc(N)c1Cl	1333468046	XPZXXKMIWZBBMK-ZETCQYMHSA-N	318.834	1.870	50	20	DDGD	
C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=C1COC[C@H]1C	1330876857	OKZAWPXVEHTAAA-MNOVXSKESA-N	309.366	1.042	50	20	DDGD	
Cc1cccc(CN2CCCC[C@@H]2C(=O)NN(C)[C@H](C)CO)c1	1336011743	YXAORPZQIYWISH-NVXWUHKLSA-N	319.449	1.693	50	20	DDGD	
CONC(=O)C1CCN(C(=O)c2cccc(CCl)c2)CC1	1337342214	STWQALZCKUYSKP-UHFFFAOYSA-N	310.781	1.955	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@H]2CC23CCSCC3)c1Cl	1261260206	GDLNAPIIUKBJAY-SSDOTTSWSA-N	313.814	1.689	50	20	DDGD	
O=C(NN=Cc1cnc2ccc(Cl)cn12)C1CCOCC1	1349840566	ZNIHGUHYUKSHSH-UHFFFAOYSA-N	306.753	1.864	50	20	DDGD	
COC1(OC)CC(NC(=O)NC[C@@]2(C)C[C@@H]2Br)C1	1351220941	CSQSKKGWNMDYLM-GXSJLCMTSA-N	321.215	1.611	50	20	DDGD	
O=C(NNc1cc(Cl)ccc1Cl)N[C@H]1CCOC1=O	1521094614	CNOWWJVHUROGJT-QMMMGPOBSA-N	304.133	1.935	50	20	DDGD	
Cc1ccc(C(=O)N(c2nc(CC(=O)O)cs2)N(C)C)cn1	1600331294	APVTWXZYDJHIPI-UHFFFAOYSA-N	320.374	1.597	50	20	DDGD	
O=C(O)c1cccnc1NNC(=O)c1c(F)ccc(O)c1F	1606529043	WRROKJGKRUFGEO-UHFFFAOYSA-N	309.228	1.521	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@H]2CC[C@@H]3CCCCN32)cc1F	1602385086	QSTMBNLFBSISPC-SMDDNHRTSA-N	321.352	1.984	50	20	DDGD	
Cc1nc([C@H](C)NC(=O)NNc2cccc(C(=O)O)c2C)no1	1600687388	KBCXDUUZCIZZIK-QMMMGPOBSA-N	319.321	1.772	50	20	DDGD	
O=C(NCc1ccc(Cl)c(C(=O)O)n1)NNc1ncccn1	1601539626	LZXBBXPLZQHRGT-UHFFFAOYSA-N	322.712	1.050	50	20	DDGD	
Cc1ccc(-c2ccc(C=NNC(=O)NCC(=O)O)o2)cc1	1607716835	XPOFIOGWWIPKTD-UHFFFAOYSA-N	301.302	1.973	50	20	DDGD	
Cc1nc(N)nc(C)c1C(=O)NNc1ccc(CC(=O)O)cc1	1607960605	MPUSDMZZFJSPDS-UHFFFAOYSA-N	315.333	1.060	50	20	DDGD	
Cc1sc(C(=O)O)cc1NC(=O)NNC(=O)c1cccn1C	1608063300	MNUAKHAYAZLECW-UHFFFAOYSA-N	322.346	1.560	50	20	DDGD	
C[C@@H](CBr)CN[C@@](C)(Cn1cccn1)C(=O)O	1604059391	FATOLSHBNJMAPK-ONGXEEELSA-N	304.188	1.347	50	20	DDGD	
Cc1ccc(OC(F)F)c(C=NNC(=O)NCC(=O)O)c1	1600467580	WRZCMPRLSQWYNY-UHFFFAOYSA-N	301.249	1.314	50	20	DDGD	
CC(=NNC(=O)Cc1ccncc1)c1ccccc1-c1nn[nH]n1	1609060867	KQJXHIPTPWNEOQ-UHFFFAOYSA-N	321.344	1.345	50	20	DDGD	
Cc1ccc(NNC(=O)C(C)(C)n2cccn2)cc1C(=O)O	1600462826	KFVAWCOVHKNLLU-UHFFFAOYSA-N	302.334	1.768	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)[C@@H]2CC[C@@H](C3CC3)N2)c1	1579351827	WIEJEYCXRRWGDA-KBPBESRZSA-N	323.418	1.064	50	20	DDGD	
COc1ccc(NNC(=O)CCC23CC(CN2)C3)c([N+](=O)[O-])c1	1579230635	UFMGUQCDNPZKMB-UHFFFAOYSA-N	320.349	1.579	50	20	DDGD	
CC(=O)c1csc(C(=O)NNc2ncccc2C(=O)O)c1	1588536027	UKVCWCGANFLLEY-UHFFFAOYSA-N	305.315	1.801	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1cc2ccccc2o1)C(=O)O	1589055867	FAXQQPGTQGAKOY-QMMMGPOBSA-N	305.290	1.098	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1ccc(-c2nn[nH]n2)cc1F	1590797226	MMWPSEGWJSVDSW-DHZHZOJOSA-N	316.296	1.066	50	20	DDGD	
CC1(C)SC[C@H]1NC(=O)NNc1ccc(CC(=O)O)cc1	1593981576	GRBJHBJIUMGEQD-LLVKDONJSA-N	309.391	1.834	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H](C(=O)O)C(C)C)c1	1594407898	RORWYMYIHGUJFR-NSHDSACASA-N	309.391	1.669	50	20	DDGD	
CO[C@@]1(C(=O)O)CCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)C1	1599066775	YCBPFUILWDCULR-RCLKMUNOSA-N	318.304	1.435	50	20	DDGD	
O=C(O)[C@@]1(C(=O)NNc2ccccc2C(F)(F)F)CCCO1	1594867275	JYHAWQNIDASZBF-LBPRGKRZSA-N	318.251	1.782	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccccc1C(=O)O	1593124540	JXWHZUVHPJRVBT-VIFPVBQESA-N	323.349	1.741	50	20	DDGD	
CCCc1cc(C(=O)NNc2ccc(C(=O)O)cc2OC)n[nH]1	1596055404	QTMXPLUKKMULOS-UHFFFAOYSA-N	318.333	1.826	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NN=Cc1ccc(C(=O)O)nc1	1776025766	WAIIXYXAWHHOLK-UHFFFAOYSA-N	322.324	1.954	50	20	DDGD	
O=C(NN=Cc1cccn2c(C(=O)O)cnc12)c1nccs1	1776109751	XPJOUILPQCEULM-UHFFFAOYSA-N	315.314	1.253	50	20	DDGD	
COc1cc(C(=O)O)ccc1C=NNC(=O)c1nccs1	1776109252	AVIPFXPUPQFWFS-UHFFFAOYSA-N	305.315	1.614	50	20	DDGD	
N#C/C(=C\c1cccc2[nH]nc(C(=O)O)c12)C(=O)N1CCCC1	1776122667	HJBIWOOXBYCTPJ-DHZHZOJOSA-N	310.313	1.790	50	20	DDGD	
CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)Br)C2	1795489970	BXDJEDAKXXDWSL-CHWFTXMASA-N	317.227	1.818	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl)C1CCC1	1793110763	YKYZAFODDUAXLV-YVECIDJPSA-N	314.813	1.024	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@H]1CCCCO1	161288215	XLILGLJKBBYBAM-LLVKDONJSA-N	312.753	1.679	50	20	DDGD	
C[C@@H](Oc1ccccc1)C(=O)NNC(=S)Nc1ccccn1	161866886	FDDHRXOXBLYHHI-LLVKDONJSA-N	316.386	1.867	50	20	DDGD	
N#Cc1cccc(NNC(=O)CCn2cc([N+](=O)[O-])cn2)c1	152470771	DDPVAGKRQKVBEB-UHFFFAOYSA-N	300.278	1.196	50	20	DDGD	
CS(=O)(=O)CC1(CC(=O)NNc2ccccc2F)CC1	152929636	KCHHSLVWVZNKGN-UHFFFAOYSA-N	300.355	1.484	50	20	DDGD	
COc1cccc(SCC(=O)NNc2ncc(F)cn2)c1	157535167	DJDBCFPRBFKZKD-UHFFFAOYSA-N	308.338	1.860	50	20	DDGD	
C[C@@](NS(=O)(=O)CCCCCl)(C(N)=O)c1ccccc1	153905278	FLAJGFPDIPLEIM-ZDUSSCGKSA-N	318.826	1.326	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2	155309296	IOEXHVYHIRSUPC-KFWWJZLASA-N	317.389	1.660	50	20	DDGD	
COc1ccc(NNC(=O)CCn2c(C)csc2=O)nc1	159132012	AARUJJLHVYBIDK-UHFFFAOYSA-N	308.363	1.155	50	20	DDGD	
CCS[C@H]1CCC[C@@H]1NS(=O)(=O)CBr	227980764	XEZOYQGHFGWLFS-YUMQZZPRSA-N	302.259	1.932	50	20	DDGD	
CCCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)CC(C)(C)C	106917270	MHWBMJADVUJUOM-LBPRGKRZSA-N	311.426	1.751	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)cc1	50081729	NBDSDSGYKQSLLV-PHIMTYICSA-N	322.365	1.693	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccn(-c2ccccc2)n1	103423783	FFHQYJYHAGBVHQ-UHFFFAOYSA-N	321.340	1.271	50	20	DDGD	
COc1ccsc1C(=O)NNC(=O)CCc1ccccc1O	106286405	XDACCTJYXCBMRV-UHFFFAOYSA-N	320.370	1.856	50	20	DDGD	
CCCc1ccc(C(=O)CCC(=O)NNC(=O)NCC)cc1	65191264	HBKCUADHTOLGQU-UHFFFAOYSA-N	305.378	1.952	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Cc1c(C)noc1Cl	67438883	XBHCJJZKJQALTO-UHFFFAOYSA-N	323.736	1.649	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)NCC[C@H](C)O)c1C	304261031	TVCONAVSBFEGNH-ATTDUZETSA-N	319.405	1.545	50	20	DDGD	
CC[C@@H]1c2ccccc2CCN1CC(=O)NNC(=O)C1CC1	114493262	KTUJVIWJLNDSMW-OAHLLOKOSA-N	301.390	1.553	50	20	DDGD	
CC(C)(Cc1ccccc1)C(=O)NNC(=O)N1CCOCC1	172113691	HNEOAJVECJJOKR-UHFFFAOYSA-N	305.378	1.328	50	20	DDGD	
O=C(CCn1cc([N+](=O)[O-])cn1)NNc1ncccc1Cl	114885415	DFPKFTMKAFNEQU-UHFFFAOYSA-N	310.701	1.373	50	20	DDGD	
CC[C@@H](OC)C(=O)NNC(=O)c1ccc(Cl)cc1OC	68179644	NTPSFSDEUFSCLC-SNVBAGLBSA-N	300.742	1.535	50	20	DDGD	
CCOc1ccc(C(=O)CCC(=O)NNc2cccnn2)cc1	172368111	SMRRKCKHMHATMR-UHFFFAOYSA-N	314.345	1.982	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NCc1cccnc1	172621158	LUQXGWHZEYVTHL-UHFFFAOYSA-N	314.345	1.129	50	20	DDGD	
CC(=O)Nc1ccc(F)c(C(=O)NNc2cc(C)ncn2)c1	172283769	VXDRSBVMPDHUTE-UHFFFAOYSA-N	303.297	1.639	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2ccc3ccccc3c2)n(C)n1	126000871	ZKMDQVQKVKRQHJ-UHFFFAOYSA-N	322.368	1.885	50	20	DDGD	
COC(=O)[C@H](C)Oc1ccc(/C=C(/C#N)C(N)=C(C#N)C#N)cc1	123442994	PUXXPSHSCRXNEA-HKMIMPICSA-N	322.324	1.794	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc3ccccc3n2)n(C)n1	126054169	HNTRSIHXNQZKFT-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
COc1cccc([C@H](O)C(=O)NNc2cccc([N+](=O)[O-])c2)c1	124256960	AMYMWGXILJNDRC-AWEZNQCLSA-N	317.301	1.780	50	20	DDGD	
C[C@H]1CC[C@H](CCC(=O)NNC(=O)COc2ccc(F)cc2)O1	75182759	UOGAYEJODAAEBE-SMDDNHRTSA-N	324.352	1.700	50	20	DDGD	
CNC(=O)[C@H]1CCCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C1	188465867	CSZVOAUACUQZPG-GFAPJHNFSA-N	313.357	1.284	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1cccnc1-n1cccn1	79216831	MEKSWKANVVOXHU-UHFFFAOYSA-N	316.365	1.144	50	20	DDGD	
COc1cc(CNC(=O)NNC(=O)OC(C)(C)C)ccc1O	45615548	NOPQNTQOTKJABS-UHFFFAOYSA-N	311.338	1.640	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)CSC(F)(F)F	78193147	LBIYTEOHWTWFFP-UHFFFAOYSA-N	322.308	1.604	50	20	DDGD	
Cc1ccn(C)c1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	188902728	VVVUIFZLCLHRDO-NSHDSACASA-N	319.336	1.701	50	20	DDGD	
O=C(NC[C@H]1CCCCO1)NNC(=O)c1cc2c(s1)CCC2	139713864	SNBFSNNDBKZOQN-LLVKDONJSA-N	323.418	1.750	50	20	DDGD	
N#CCOc1ccccc1C(=O)NNC(=O)NC1CCCCC1	194279783	JVAKPCSBQWDIMY-UHFFFAOYSA-N	316.361	1.866	50	20	DDGD	
C=CCCOCC(=O)NNC(=O)COc1cc(C)cc(C)c1	138389083	QFLICIBHYYMQPX-UHFFFAOYSA-N	306.362	1.422	50	20	DDGD	
CC(C)(C)n1cc(C(=O)NNC(=O)Cc2ccncc2)cn1	82977459	QLLFGKFTMBOTRA-UHFFFAOYSA-N	301.350	1.037	50	20	DDGD	
O=C(CCNC(=O)c1ccsc1)NNC(=O)CC1CCCC1	195215823	LKUAVEYBSTWGAW-UHFFFAOYSA-N	323.418	1.596	50	20	DDGD	
Cc1nn2cccnc2c1C(=O)NNc1ccccc1[N+](=O)[O-]	98094272	NERGFACBWQZTOS-UHFFFAOYSA-N	312.289	1.703	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21	249519351	KERVCNDDLASEGY-GHMOJZLGSA-N	302.378	1.783	50	20	DDGD	
COc1cc(C(=O)NNC(=O)[C@@H](C)C2CC2)cc(OC)c1OC	267112633	ZGJCGABWYCWHIA-VIFPVBQESA-N	322.361	1.520	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1cc(C(C)(C)C)n[nH]1	264513164	ATMDUWSYSWLDPZ-UHFFFAOYSA-N	316.361	1.791	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H]2CCC[C@H](C(=O)N(C)C)C2)nn1	265181125	QIVFRDGUKHXBJP-RYUDHWBXSA-N	320.397	1.058	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCSC1	266833895	UVSLWMUPHYECJU-SECBINFHSA-N	310.335	1.044	50	20	DDGD	
CCN(CC)C(=O)CCCC(=O)NNC(=O)c1ccccc1F	263706897	VKRNWEPAAKMZLF-UHFFFAOYSA-N	323.368	1.625	50	20	DDGD	
C=C(CBr)CN1CC[C@@H](NC(=O)NC2CC2)C1	279841551	ZXPOOUFBGCKTSH-LLVKDONJSA-N	302.216	1.473	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)NC[C@@H]2CCSC2)c1	279449025	DLGNMDCWHAGJDQ-NSHDSACASA-N	322.434	1.450	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@@H]1OC[C@@H]2CCC[C@@H]21	365669646	UKPDFEPYEBBZDC-CORIIIEPSA-N	313.357	1.786	50	20	DDGD	
CN(NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1)C(N)=O	367444734	IYMMBITZSCDIFC-UHFFFAOYSA-N	314.386	1.065	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2CCC3(CC2)CC3)n1	366632872	RBEMLMUDEHDACX-UHFFFAOYSA-N	322.434	1.017	50	20	DDGD	
Cc1[nH]cnc1CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	278501504	AIWHMKCTFKDFGD-UHFFFAOYSA-N	316.405	1.624	50	20	DDGD	
C[C@@H](NC(=O)[C@@H](Br)C(C)(C)C)c1ncnn1C	276864532	KNVQPXBRIWUCEZ-HTQZYQBOSA-N	303.204	1.802	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(NC(C)=O)ccc1Cl	272635520	CJCFIBOJSAPILF-UHFFFAOYSA-N	312.757	1.605	50	20	DDGD	
COC(=O)C1(CNC(=O)NNc2ccc(C)nn2)CCCCC1	273096575	NRVQGRQSKSPAFT-UHFFFAOYSA-N	321.381	1.535	50	20	DDGD	
COC[C@@H](NC(=O)NNc1ccc(Cl)nc1)[C@@H]1CCCO1	279794239	VYTCEJMPNWGDRN-MNOVXSKESA-N	314.773	1.555	50	20	DDGD	
C[C@H]1C[C@@H](C(=O)NNC(=O)c2c[nH]c3ccccc23)CCO1	272078071	MIPLAQFLVUKMIH-QWRGUYRKSA-N	301.346	1.744	50	20	DDGD	
Cc1cnc(C(C)(C)NS(=O)(=O)CBr)s1	272816057	OBSBCAHTEHSYBM-UHFFFAOYSA-N	313.242	1.958	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1nn(-c2ccccc2)cc1C	274748984	WSVLLCRHELYAEI-UHFFFAOYSA-N	301.350	1.487	50	20	DDGD	
C=CCCCCNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	274579453	GEVORKDDYHDYKO-UHFFFAOYSA-N	306.322	1.895	50	20	DDGD	
CC[C@H](C)CCC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1	285077899	MZJINDLNPAUJMA-NSHDSACASA-N	316.365	1.250	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@@H]1COCCN1C1CCCC1	375647939	GYLUVXXYHSIWJL-ZDUSSCGKSA-N	308.357	1.307	50	20	DDGD	
CC(C)Oc1ccccc1C(=O)NNC(=O)NCC(F)(F)F	280849712	AFUQZKKCFIBLFU-UHFFFAOYSA-N	319.283	1.980	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@H]2CCCSC2)n1	288023601	QEOSMOWJKATTDU-SNVBAGLBSA-N	311.411	1.563	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCC[C@H]2[C@H]2CCCO2)n1	284177650	KWSMDWBXDSARQK-UONOGXRCSA-N	318.377	1.388	50	20	DDGD	
CCc1ccc(NC(=O)C(=O)NNc2cnccn2)cc1Cl	806967839	QEAVTDMTDWFEJU-UHFFFAOYSA-N	319.752	1.774	50	20	DDGD	
CC[C@H](COCC(F)(F)F)NC(=O)NNc1ccc(C)nn1	296874711	MTBYZRDZTUMPQP-SECBINFHSA-N	321.303	1.769	50	20	DDGD	
O=C1CCc2cc(C(=O)NNc3ncccc3F)ccc2N1	804210956	BUOBWHGEKYHGGX-UHFFFAOYSA-N	300.293	1.862	50	20	DDGD	
C[C@@H](OCc1ccccc1)C(=O)NNC(=O)N=c1cc[nH]cc1	802024301	MSWWQIYLIQGXBW-GFCCVEGCSA-N	314.345	1.262	50	20	DDGD	
O=C(NCCCOC[C@@H]1CCOC1)NNc1ncccc1F	805144622	FLKUDVUCKKTXIG-NSHDSACASA-N	312.345	1.290	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cc2n(n1)CCC2)c1ccccc1	294719251	UZVWAPWDSDTLGN-UHFFFAOYSA-N	312.373	1.568	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(F)c(F)c(F)c1	295754727	PGBFVYDCZPOREX-JTQLQIEISA-N	302.252	1.434	50	20	DDGD	
C#Cc1cncc(C(=O)NNc2ccc(S(C)(=O)=O)cc2)c1	807118537	KRHBQWWHTARPSA-UHFFFAOYSA-N	315.354	1.223	50	20	DDGD	
CO[C@H](C)c1nsc(NC(=O)NNC(=O)c2ccccc2)n1	809925295	HOJCFCLFJPCTQG-MRVPVSSYSA-N	321.362	1.712	50	20	DDGD	
CC(C)c1scnc1NC(=O)NNC(=O)[C@H]1CCCCO1	296989234	JPZQDGFRJVAEGE-SECBINFHSA-N	312.395	1.988	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)c1cc(Cn2cccn2)on1	292356906	ZGHUPMLSSCDMOV-UHFFFAOYSA-N	307.310	1.089	50	20	DDGD	
O=C(COCc1cccnc1)NNC(=O)c1ccc(Cl)nc1	805165958	ZPBSKRNVWYHXBR-UHFFFAOYSA-N	320.736	1.108	50	20	DDGD	
N#Cc1ccccc1/C=C\C(=O)NNC(=O)N=c1cc[nH]cc1	802033506	ALVOKPVZQFWFPW-WAYWQWQTSA-N	307.313	1.241	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=C2CCn3cccc32)cc1C	818265088	MCFAAGGNBVTQSY-UHFFFAOYSA-N	310.357	1.968	50	20	DDGD	
CSc1nc(C)c(CCC(=O)NNc2cnnn2C)c(C)n1	816771738	YTZLIGNHEBIWJN-UHFFFAOYSA-N	321.410	1.020	50	20	DDGD	
C[C@@]1(C(=O)NNc2cccc(S(C)(=O)=O)c2)CC1(F)F	817560721	LQOLHFFFMJEKSB-NSHDSACASA-N	304.318	1.579	50	20	DDGD	
COc1nccnc1NNC(=O)c1c[nH]nc1-c1ccccn1	811074270	KSPWIKXWEVYHSD-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
Cc1ccc(NCC(=O)NN=C2CCS(=O)(=O)CC2)cc1	814712215	NICHBMRPWJLFFH-UHFFFAOYSA-N	309.391	1.088	50	20	DDGD	
O=C(NNc1ncncc1F)N[C@@H]1C[C@H]1c1ccc(F)cc1	814325930	OITVQWYKTZYQOB-CMPLNLGQSA-N	305.288	1.937	50	20	DDGD	
CC1(C)C(=O)Nc2ccc(C(=O)NNC(=O)CC3CC3)cc21	819118324	QXAFVTMMNIUPJC-UHFFFAOYSA-N	301.346	1.477	50	20	DDGD	
COC(=O)[C@@H]1C[C@H]2CC(=NNC(=O)NCC(F)(F)F)[C@H]1C2	817322938	DDPMSLBBERKVJJ-BIIVOSGPSA-N	307.272	1.423	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)Cn1ccc2ccccc21)OC	811875937	HFZJZOGICNCPJG-ZDUSSCGKSA-N	318.377	1.397	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)Cc1c[nH]c2ccccc12)OC	812591759	SIUCATZPFPHCHH-LBPRGKRZSA-N	318.377	1.466	50	20	DDGD	
O=C(Cc1cc(O)nc(O)n1)NN=C1CC(c2ccccc2)C1	814860187	MWIWROWSWGNANH-UHFFFAOYSA-N	312.329	1.480	50	20	DDGD	
CN(C)Cc1ccc(C(=O)NN=Cc2cccc(C(=O)O)c2)o1	814764911	IHVNUMGBFMOCIQ-UHFFFAOYSA-N	315.329	1.803	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)NC2CCCC2)c1C(F)F	727377917	SGXSPFYNQTUEBU-UHFFFAOYSA-N	301.297	1.244	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cccc(F)c1Br	823921938	FPJCKMYGBPZVKD-ZETCQYMHSA-N	305.147	1.546	50	20	DDGD	
COC(=O)NNC(=O)c1cnc(S)n1-c1ccc(F)cc1	495326375	KESICKSFWFVHHM-UHFFFAOYSA-N	310.310	1.301	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)c1	728951161	DBTHWRYBNQKGDI-WHOFXGATSA-N	312.373	1.938	50	20	DDGD	
CCN(Cc1ccccc1C)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	827315142	NQVAAPFRNWLARJ-ZFWWWQNUSA-N	319.405	1.983	50	20	DDGD	
CCCCC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	494142212	ONCFQBJVOLQHSB-UHFFFAOYSA-N	301.387	1.629	50	20	DDGD	
CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)NNC(=O)C(C)C	493879912	GANDDVLPTBQRSC-HNNXBMFYSA-N	315.414	1.731	50	20	DDGD	
CC(C)(C)OC(=O)N1CC(NC(=O)NNc2ccccc2)C1	493112511	GIRHQQASENTOKO-UHFFFAOYSA-N	306.366	1.932	50	20	DDGD	
CCO/C=C(/C#N)C(=O)Nc1cc([C@H]2CCCOC2)nn1C	490906675	DVZXVFBZVRREBH-NIANNCQZSA-N	304.350	1.697	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(-c2ccccc2)nn1C	827691554	ZOSFJFIQDMLIOB-UHFFFAOYSA-N	301.350	1.393	50	20	DDGD	
N#C/C(=C/c1csnn1)C(=O)c1cccc(-c2nn[nH]n2)c1	826379373	QIHNFRSBEWJTBT-YHYXMXQVSA-N	309.314	1.508	50	20	DDGD	
CC(C)c1cc(NC(=O)c2ccc(B(O)O)cc2)n(C(C)C)n1	584971733	ZBYIMHNDCOJQNC-UHFFFAOYSA-N	315.182	1.520	50	20	DDGD	
CC(C)C(C)(C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C	492589186	SFCAJZMMNKNZEC-UHFFFAOYSA-N	301.387	1.341	50	20	DDGD	
Cc1nc(C(=O)NN(C)[C@H](C)CO)c(Br)s1	823923547	SNFBLEVWDWQVPA-RXMQYKEDSA-N	308.201	1.171	50	20	DDGD	
COCc1csc(CNC(=O)NNc2nccc(OC)n2)c1	822312414	ADTPXDRGXXQFQC-UHFFFAOYSA-N	323.378	1.519	50	20	DDGD	
Cc1csc([C@H](C)CNCc2ccc(B(O)O)cc2F)n1	585035504	VHRQDLUAASAVAG-SECBINFHSA-N	308.187	1.164	50	20	DDGD	
CNC(=O)C1CCC(NC(=O)[C@]2(C)C[C@@H]2Br)CC1	906442570	JFXYHWUFDOTNSE-BWIGVGPWSA-N	317.227	1.581	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H]1CC(c2cc(C)ccc2C)=NO1	909994579	XOTLMTZZCHWYEQ-CYBMUJFWSA-N	320.418	1.264	50	20	DDGD	
COCOCCCNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	491136997	WRLUEEBJXIJVFI-VGOFMYFVSA-N	316.361	1.239	50	20	DDGD	
CCCOc1cc(C)ccc1NC(=O)NNC(=O)c1cc[nH]n1	820115047	XPKBCZZXKPOQHT-UHFFFAOYSA-N	317.349	1.973	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N1C[C@H](C)OC2(CCC2)C1	825551721	NTOMOCZEKQPEDV-ZDUSSCGKSA-N	317.389	1.993	50	20	DDGD	
CCO[C@H]1C[C@@H](NCc2ccc(B(O)O)cc2)C12CCCC2	585026432	GYWDHEOEQYDVSU-CVEARBPZSA-N	303.211	1.194	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(C)CCNC(C)=O)cc1	491158336	DVIXVNKCARDJRI-PTNGSMBKSA-N	315.373	1.587	50	20	DDGD	
OB(O)c1ccc(CNC2CCN(C3CCCC3)CC2)c(F)c1	585030986	NQRBKXHZIMPMQW-UHFFFAOYSA-N	320.217	1.002	50	20	DDGD	
CN1CCCC[C@H]1C(=O)NNC(=O)Cc1ccc(Cl)cc1	731865564	PDTHGXBRLNUGDI-ZDUSSCGKSA-N	309.797	1.514	50	20	DDGD	
Cn1cc(CCCNC(=O)[C@]2(C)C[C@H]2Br)cn1	906516752	KJXZRBRYUWGERW-ZYHUDNBSSA-N	300.200	1.642	50	20	DDGD	
C[C@H](CSCC(=O)NNC(=O)c1ccc(F)cc1)C(=O)O	736614254	WBYCKTMISABOLZ-MRVPVSSYSA-N	314.338	1.041	50	20	DDGD	
C[C@@]1(CNC(=O)NNC(=O)CC(F)(F)F)CC1(Cl)Cl	838668617	NXAGITZJJRUJAG-ZETCQYMHSA-N	322.114	1.853	50	20	DDGD	
COCc1csc(C(=O)NNC(=S)NCCSC)c1	831570282	ODKGCQXGVZRIKS-UHFFFAOYSA-N	319.477	1.366	50	20	DDGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCCN(C=O)CC1	491013566	UNXXBTOUCZXAJN-GXDHUFHOSA-N	301.321	1.423	50	20	DDGD	
Cc1cnccc1C=NNC(=O)CCNC(=O)OC(C)(C)C	497120441	PSIRVYSVQZGDIO-UHFFFAOYSA-N	306.366	1.755	50	20	DDGD	
OB(O)c1ccc(CNC[C@@H]2CSc3ccccc32)c(F)c1	585043876	VEQDLMXWVHWABV-GFCCVEGCSA-N	317.194	1.485	50	20	DDGD	
N#Cc1cnc2ccc(Cl)cc2c1N1CC[C@H](B(O)O)C1	585073930	QSRAIMUFLBHHRR-JTQLQIEISA-N	301.542	1.813	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H]2CCCCN2C)c1	737766449	IQXNAXGQFFITMQ-HNNXBMFYSA-N	319.405	1.314	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc(F)cc1C#N	831535467	WRAMZKWBOQFVJG-GZMMTYOYSA-N	306.297	1.275	50	20	DDGD	
CN(C)[C@]1(CNC(=O)[C@@]2(C)C[C@@H]2Br)CCSC1	906901992	PAFZQJDKERAUFC-DLOVCJGASA-N	321.284	1.713	50	20	DDGD	
COc1ccc2oc(C(C)=NNC(=O)NCC(=O)O)c(C)c2c1	833734576	ABRIUQYTKFEMDQ-UHFFFAOYSA-N	319.317	1.858	50	20	DDGD	
COCc1cccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	831203062	PYWCPOAEGNQJEZ-MFKMUULPSA-N	307.350	1.411	50	20	DDGD	
CCCc1noc2nc(CC)cc(C(=O)NNc3nc[nH]n3)c12	839769962	PTZBAMMBTAEEDU-UHFFFAOYSA-N	315.337	1.613	50	20	DDGD	
CON1CCC(=NNC(=O)Cc2nc3ccccc3n2C)CC1	834926362	LMBISTDNMRXFQD-UHFFFAOYSA-N	315.377	1.245	50	20	DDGD	
NC(=O)N1CC[C@H](NC(=O)CCCC[C@H]2CCSS2)C1	733971762	MRDXJWAKZMVPEM-QWRGUYRKSA-N	317.480	1.970	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNc1cc(C(F)(F)F)ccn1	832962539	BZSVQWSMKSCIEU-ZETCQYMHSA-N	304.272	1.458	50	20	DDGD	
CC[C@H]1C[C@@H](c2nc(-c3ccc(B(O)O)cc3)no2)CCO1	585050747	JLDVLXDCKMYWGN-AAEUAGOBSA-N	302.139	1.089	50	20	DDGD	
COc1ccc(OC(F)F)c(C=NNC(=O)CN(C)C)c1	732924809	KKZKUDWFSQSVBR-UHFFFAOYSA-N	301.293	1.308	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)C#CC(C)(C)C)c1	837309147	BKULUQTUIJHSDK-UHFFFAOYSA-N	302.374	1.879	50	20	DDGD	
COC(=O)N1CCN(C(=O)[C@]2(C)C[C@H]2Br)CC1	906345950	XLMGNQSTKXDECY-LDYMZIIASA-N	305.172	1.071	50	20	DDGD	
Cc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1cccc(B(O)O)c1	584952284	UDWNWCPRMGANFH-FUHWJXTLSA-N	309.174	1.135	50	20	DDGD	
C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cc(B(O)O)ccc1F	584989777	JDUQLJPLVURSBI-RYUDHWBXSA-N	321.201	1.792	50	20	DDGD	
COC(=O)c1cc(NNC(=O)NCC(C)(C)C#N)ccc1F	838542112	JACSWKWNNDRIIN-UHFFFAOYSA-N	308.313	1.788	50	20	DDGD	
C=CC(C)(C)CNC(=O)NNC(=O)[C@H]1COc2ccccc2O1	836592418	QEFLXYPDBHHTJG-CYBMUJFWSA-N	319.361	1.369	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccnc(Br)c1	836695415	PPICUMYABZSBHT-UHFFFAOYSA-N	301.144	1.653	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2ccc(NC(=O)O)cc2)c1	738434874	QYMZVVRKGQEGDG-UHFFFAOYSA-N	324.296	1.723	50	20	DDGD	
CCOc1cc(C)ccc1NCc1ccc(B(O)O)cc1F	585012658	BOFJYOKRFDOWEV-UHFFFAOYSA-N	303.142	1.825	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H]1CC(c2ccccc2C)=NO1	906417106	VVLZEHJAAQKZLJ-CQSZACIVSA-N	318.377	1.619	50	20	DDGD	
Cc1c(CC(=O)NNc2cccnn2)nnn1-c1ccccc1	736702063	WGUZZMMTPGRYLP-UHFFFAOYSA-N	309.333	1.052	50	20	DDGD	
CC[C@H](C)[C@H]1CCCCN1C(=O)c1cc(B(O)O)ccc1F	584951604	XNLHQWDCLZECFJ-XHDPSFHLSA-N	307.174	1.546	50	20	DDGD	
O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccc(B(O)O)cc1	584926405	NEGCJDFPBTVHPP-JGGQBBKZSA-N	301.195	1.455	50	20	DDGD	
C[C@H](c1ccccc1)N(CC(=O)NNC(=O)C1CC1)C1CC1	733194875	SMTJPWDXWSOCMV-GFCCVEGCSA-N	301.390	1.769	50	20	DDGD	
COCCCCC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	733106986	RQZAEIDAMFVTQQ-UHFFFAOYSA-N	316.361	1.450	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1	830167024	FLNOAMQVIBIPGZ-UWVGGRQHSA-N	308.338	1.191	50	20	DDGD	
CC(C)CO[C@@H](C)C(=O)NNC(=O)c1cccc(N(C)C)c1	917559421	ISLKIKMGVOYPHR-LBPRGKRZSA-N	307.394	1.575	50	20	DDGD	
CCn1ncnc1C=NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	848410069	HEJOLQSTHTUIHQ-SNVBAGLBSA-N	321.768	1.869	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1cn(C)c2ccccc12	843648519	QLSQCIFTJITNRP-YPMHNXCESA-N	315.373	1.293	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@H]2CC[C@H](O)CC2)cc1	845073253	PVIGFWAPOAHVQO-MQMHXKEQSA-N	321.377	1.332	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)NCc1ccc2c(c1)CNC2	841980016	DOIRBNLLBMWELI-UHFFFAOYSA-N	304.394	1.556	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=C1C(=O)Nc2ccccc21	747638456	MQPGNQJUKWPDMG-UHFFFAOYSA-N	319.324	1.349	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=Cc2cccc3c2OCO3)cc1	915944011	MGUXKVLAJAGXAK-UHFFFAOYSA-N	323.308	1.816	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1nc2ccccc2n1C	748257973	MZVPMRWWJRPUNW-GFCCVEGCSA-N	318.377	1.465	50	20	DDGD	
CC(C)[C@H]1CCCC1=NNC(=O)Cc1cc(O)nc(S)n1	747751149	ICGZMUAGRQATNX-SNVBAGLBSA-N	308.407	1.942	50	20	DDGD	
O=C(NCCOc1ncccc1F)NNC(=O)C1CCCC1	747448904	BBUKGRQUIBUGDB-UHFFFAOYSA-N	310.329	1.120	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1c(C)nc2ccccn12)[C@@H]1CCOC1	841606410	DTXLTVYSVXLFHC-OLZOCXBDSA-N	316.361	1.410	50	20	DDGD	
O=C(NNc1ccncn1)[C@@H]1CCO[C@@H](c2ccccc2)O1	848164019	UMYWOCKXTXRDMB-SWLSCSKDSA-N	300.318	1.424	50	20	DDGD	
Cc1ccc(-c2nn(C)cc2C=NNC(=O)[C@H]2CCO[C@H]2C)o1	842549533	NUDZWZFDYFVSDN-AAEUAGOBSA-N	316.361	1.864	50	20	DDGD	
Cn1ccc(C=NNC(=O)c2nn(C)c(=O)c3ccccc23)c1	749854172	GMJVOAYZHHRCHD-UHFFFAOYSA-N	309.329	1.036	50	20	DDGD	
C[C@@H]1C[C@@H](CNC(=O)NNc2nc3ccccn3n2)[C@@H](C)O1	840434696	SDWMDHJXGBJPSU-MXWKQRLJSA-N	304.354	1.169	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)c2ccc(C#N)cc2)c2ccccn12	741209842	PAMVWRVUTWZVDQ-UHFFFAOYSA-N	319.324	1.589	50	20	DDGD	
O=C(Cc1ccc2c(c1)CCC2)NNC(=O)CC(F)(F)F	918365574	FKOOHEBOJIXKAI-UHFFFAOYSA-N	300.280	1.818	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@@H](c1ccccc1)C(F)(F)F	740738840	RCWPERHSESLZBZ-LBPRGKRZSA-N	317.311	1.683	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCc2ccoc2C)cc1	919781980	DXJZZTNLFHNKTL-UHFFFAOYSA-N	317.345	1.806	50	20	DDGD	
CCNC(=O)NC1(C(=O)NNc2ccccc2F)CCCC1	748059489	UAPQRQHUEBDAJE-UHFFFAOYSA-N	308.357	1.901	50	20	DDGD	
Cc1ncc2n1C[C@H](C(=O)NNC(=O)NC1CCCCC1)CC2	845079767	PJYFGWNDONCPMK-GFCCVEGCSA-N	319.409	1.417	50	20	DDGD	
Cc1ccc(C)c(NNC(=O)[C@@H]2CCc3nnnn3CC2)c1	845857013	ZSWKLVUVRWCJSU-GFCCVEGCSA-N	300.366	1.386	50	20	DDGD	
CC(=NNC(=O)N(C)C)[C@@H](c1ccccc1)N1CCOCC1	745602232	OVRQICSARBKDNR-HNNXBMFYSA-N	304.394	1.707	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1C[C@@]12CCc1ccccc12	743340115	ZVPCJXWTIBKNFG-RHSMWYFYSA-N	310.357	1.383	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CC[C@H](C3CCC3)C2)n1	841585386	CPIRELWFLTVFPI-ZDUSSCGKSA-N	302.378	1.866	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C1CCC(O)(C(F)(F)F)CC1	842551688	FQFBRYYUTGWYHI-KWHPKRGUSA-N	308.300	1.751	50	20	DDGD	
CC(C)=C(C)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1	751377464	VLDLYMILQFSNPN-UHFFFAOYSA-N	317.393	1.197	50	20	DDGD	
CC1CCN(C[C@@H](C)NC(=O)NNc2cccc(F)n2)CC1	852600781	DTGGDRIRXFXSSB-GFCCVEGCSA-N	309.389	1.967	50	20	DDGD	
CCOC(=O)NC1CCC(=NNC(=O)c2cccc(F)n2)CC1	853440285	BSEPXOYHNOPGGD-UHFFFAOYSA-N	322.340	1.995	50	20	DDGD	
O=C(NN=CC1Cc2ccccc2C1)[C@@H]1CN2CCC[C@@H]2CO1	853389551	NKQOSFIZFVNEGQ-SJORKVTESA-N	313.401	1.367	50	20	DDGD	
CCCc1cnc(NC(=O)C(=O)NNC(=O)C2CCCC2)s1	756154391	AIFXOOVXYAQZPO-UHFFFAOYSA-N	324.406	1.372	50	20	DDGD	
CC[C@@](O)(CC(=O)NNC(=O)C1CCOCC1)c1ccccc1	923057424	IPYCKDLJCCCVKE-QGZVFWFLSA-N	320.389	1.248	50	20	DDGD	
C#Cc1ccc(C(=O)NNc2ccc(C(F)(F)F)nn2)nc1	755189892	XYZCVYCCIBNXAE-UHFFFAOYSA-N	307.235	1.629	50	20	DDGD	
O=C(NC[C@H]1CCCSC1)NNC(=O)c1cccc(F)n1	852339997	ZNAMNLCJFVVOQE-SECBINFHSA-N	312.370	1.308	50	20	DDGD	
CN(C)[C@]1(CNC(=O)NNc2ccc(F)cn2)CCSC1	753912135	VDUSUQWXNFOKIW-ZDUSSCGKSA-N	313.402	1.284	50	20	DDGD	
CN(CC1=CCSC1)C(=O)NNC(=O)c1ccc(C#N)cc1	852029961	WFJXAMJVUAAIRD-UHFFFAOYSA-N	316.386	1.518	50	20	DDGD	
CCCn1nccc1C(=O)NNC(=O)Cc1ccc(Cl)cc1	854239189	VSWXCCFCEYVNMT-UHFFFAOYSA-N	320.780	1.950	50	20	DDGD	
CN(CC(C)(C)CO)C(=O)NC[C@@]1(C)C[C@H]1Br	856959812	XXQWFBGPNBTQPT-BXKDBHETSA-N	307.232	1.820	50	20	DDGD	
CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCCSC#N	854363162	OCDXTULTTIJOAC-OAHLLOKOSA-N	317.414	1.680	50	20	DDGD	
CC(=O)N1CC[C@](C)(C(=O)NC[C@@]2(C)C[C@H]2Br)C1	857394783	SYURJXSCDHJTJK-KGYLQXTDSA-N	317.227	1.535	50	20	DDGD	
CNC(=O)c1cccc(NC(=O)NNC(=O)C2CCCC2)c1	755515142	OYEHRYCHPVFRKR-UHFFFAOYSA-N	304.350	1.389	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)c2cccn2C)c2[nH]ncc12	756524275	HZGMJUPSRYEBBJ-UHFFFAOYSA-N	312.333	1.676	50	20	DDGD	
COC(=O)N(C)CCNC(=O)/C(C#N)=C\c1ccc(F)cc1	855937915	CGWZSHZCIWKQBU-XFXZXTDPSA-N	305.309	1.547	50	20	DDGD	
O=C(NN=Cc1cnc2ncccn12)c1cc(Cl)ccc1O	755612422	WASCRAWLFNJFFY-UHFFFAOYSA-N	315.720	1.852	50	20	DDGD	
CC[C@@H](CN1CCCC1)NC(=O)NNC(=O)c1ccccc1C	758844949	KNGAJKHOCULTQD-AWEZNQCLSA-N	318.421	1.813	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)[C@@H]1CCc2ccccc2O1)C1CC1	855095685	ONRIUSVMHFPTBS-YGRLFVJLSA-N	319.430	1.674	50	20	DDGD	
CCC[C@@H](CNC(=O)NNC(=O)[C@H]1CCCCO1)OCC	858683919	YHUNNCYIJABYHS-NWDGAFQWSA-N	301.387	1.091	50	20	DDGD	
Cc1nc2n(n1)C[C@@H](NC(=O)NNc1ccc(C)c(F)c1)CC2	853648992	WGBXUQJBCHXBBW-LBPRGKRZSA-N	318.356	1.675	50	20	DDGD	
CCN(Cc1ccc(C)cc1)C(=O)NNC(=O)c1cn[nH]c1	858704266	OOXORKVVVYOZPL-UHFFFAOYSA-N	301.350	1.595	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCc2nn[nH]c21	855626925	RJCSZLFEOCKVRQ-QMMMGPOBSA-N	320.284	1.415	50	20	DDGD	
CS(=O)(=O)CCCNC(=O)NNc1cc(F)cc(Cl)c1	853723794	WCQYTUUDCBDJDA-UHFFFAOYSA-N	323.777	1.540	50	20	DDGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@]1(C(F)(F)F)CCNC1	852800197	MBXKRXAJYIEKLA-LLVKDONJSA-N	318.255	1.580	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@@H]2C[C@H](C)Cc3c[nH]nc32)o1	857862062	XOCFNPICJIEHFK-LDYMZIIASA-N	302.334	1.438	50	20	DDGD	
CCCCNC(=O)NNC(=O)Cc1cccc(C(=O)OC)c1	758710044	TUZQLKRDJJJURK-UHFFFAOYSA-N	307.350	1.146	50	20	DDGD	
C[C@H](NC(=O)NC[C@]1(C)C[C@H]1Br)c1cnn(C)c1	856836595	RAERPMNLBHQMCQ-XRNSZHNASA-N	315.215	1.954	50	20	DDGD	
COc1cccc(C[C@H](C)CC(=O)NNC(=O)NC2CC2)c1	930720065	LHQXOAFKAFDOEN-NSHDSACASA-N	305.378	1.757	50	20	DDGD	
CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NNC(=O)C(C)C	858143294	JIRPQNYUXBBVBT-JTQLQIEISA-N	301.387	1.435	50	20	DDGD	
CC(C)c1cnc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)s1	853390766	LWYRZCKHBKYIFC-NEPJUHHUSA-N	322.434	1.580	50	20	DDGD	
CC[C@@H](C)[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)C(F)(F)F	861021548	FJMZWOAOZAHVRO-HTRCEHHLSA-N	307.276	1.331	50	20	DDGD	
COC(=O)[C@H](C)c1cccc(NCc2ccc(B(O)O)cc2)c1	864015710	STXWIUDFZJJRML-GFCCVEGCSA-N	313.162	1.255	50	20	DDGD	
CCc1csc(-n2cc(C(=O)NNC(=O)C3CCC3)cn2)n1	762974012	NEHLFASWURQVNG-UHFFFAOYSA-N	319.390	1.452	50	20	DDGD	
CC[C@H](NC(C)=O)C(=O)NNC(=S)Nc1cccc(C)c1C	864451701	ITHLCUZXJYHNNX-LBPRGKRZSA-N	322.434	1.536	50	20	DDGD	
CCCc1ccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1	860307854	SXPKCRZPJDPLCO-LBPRGKRZSA-N	304.350	1.070	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1ccc(-c2ccc[nH]2)cc1	763437860	JQARTLZDJZDQRW-UHFFFAOYSA-N	300.318	1.178	50	20	DDGD	
CN(CCCC(=O)NCCCSC#N)C(=O)c1ccncc1	935843320	PQTLXEPKXQKENC-UHFFFAOYSA-N	320.418	1.654	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)[C@H](C)C2)c1O	763984588	XCNRDWSRHDZWBB-ZJUUUORDSA-N	320.345	1.167	50	20	DDGD	
CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NNc1cccc([N+](=O)[O-])c1	766277075	COVBMJBGJQVGME-RYUDHWBXSA-N	321.337	1.136	50	20	DDGD	
CC(C)O[C@H]1C[C@@H](NS(=O)(=O)CBr)C1(C)C	766080627	NZVVGQJTFYGWKV-BDAKNGLRSA-N	314.245	1.850	50	20	DDGD	
O=C(CNc1ccccc1)NNC(=O)[C@H](F)c1ccccc1	769648996	XLGYGAIESAKFOQ-OAHLLOKOSA-N	301.321	1.957	50	20	DDGD	
O=C(NNC(=O)c1c(C(F)F)nc2ccccn12)NC1CC1	865014553	HPGVQZRTWOGHSP-UHFFFAOYSA-N	309.276	1.378	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)CCC1(O)CCC1	865142554	HLUALHMRJOFXKS-UHFFFAOYSA-N	304.390	1.852	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)OC(C)(C)C)nc1Cl	766951778	FTSGKSMAZXOMDE-UHFFFAOYSA-N	301.730	1.913	50	20	DDGD	
COC(=O)c1ccc(/C=C/C(=O)NN[C@@H](C)C(F)(F)F)o1	869377322	WWLPKVWNOACCFH-KNIZRNDPSA-N	306.240	1.651	50	20	DDGD	
CCOC(=O)c1cnc(C)c(C(=O)NN=c2cc[nH]c(C)c2)c1	862513762	KILAGMAAILWIQD-UHFFFAOYSA-N	314.345	1.449	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1	761640445	DQCBBJFPNFEADS-SNVBAGLBSA-N	320.349	1.971	50	20	DDGD	
COC(=O)N(C)NC(=O)Nc1nnc(CC(F)(F)F)s1	878962062	GDWIUJXHFPPVKQ-UHFFFAOYSA-N	313.261	1.378	50	20	DDGD	
COc1nc(Cl)c(C=NNC(=O)C2CCOCC2)s1	1119361453	LZMJQUAMFXYSNC-UHFFFAOYSA-N	303.771	1.682	50	20	DDGD	
CCNc1ccccc1C=NNC(=O)[C@@H]1CCS(=O)(=O)C1	872339547	PDWFHSDUBWVCFX-GFCCVEGCSA-N	309.391	1.003	50	20	DDGD	
CCC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1F	778540205	LYBICCNADRHGHS-SNVBAGLBSA-N	312.366	1.491	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	770856758	HBEIWASPTKOOPG-ZWNOBZJWSA-N	323.418	1.828	50	20	DDGD	
Cc1ccc(/C=C(\C#N)C(=O)OC[C@@H]2CCS(=O)(=O)C2)cc1	778343292	AGYKPMKIMFAKDT-GFKDLEGOSA-N	319.382	1.880	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(C)c(N(C)C)cc1C#N	879591681	SBMWBKVWKHINET-UHFFFAOYSA-N	305.382	1.547	50	20	DDGD	
Cc1ccc2cccc(NC(=O)C(=O)NNc3ncccn3)c2n1	773723660	CRTMAOPEISEONN-UHFFFAOYSA-N	322.328	1.415	50	20	DDGD	
O=C(COC[C@@H]1CCCO1)NNc1ccc2ccccc2n1	777463374	BXVSXHVDAYFDHI-ZDUSSCGKSA-N	301.346	1.874	50	20	DDGD	
CN(C)[C@@H]1CCCC(=NNC(=O)c2ccc(C(=O)O)cc2)C1	872410870	PVVPYCCMGSIANY-CQSZACIVSA-N	303.362	1.975	50	20	DDGD	
C[C@H](NC(=O)CC(C)(C)C)C(=O)NNc1nc2ccccc2[nH]1	779396535	IOLPCTBAOQWQIJ-JTQLQIEISA-N	317.393	1.947	50	20	DDGD	
O=C(NNC(=O)C1(Oc2ccccc2)CC1)[C@H]1CCCCO1	1118055856	CFAGLEHXNALZTN-CYBMUJFWSA-N	304.346	1.315	50	20	DDGD	
C=CCOc1cccnc1C(=O)NNc1nccc(OC)n1	775525368	NZEORPDTWDOPET-UHFFFAOYSA-N	301.306	1.202	50	20	DDGD	
Cc1cc(C=NNC(=O)CO)cc(C)c1OCc1ccccn1	776784046	XHPGUYGPQOKDEZ-UHFFFAOYSA-N	313.357	1.720	50	20	DDGD	
O=C(CCNC(=O)c1ccc(F)cc1)NNc1ccccn1	777472650	VIUVCVFKUUVSEF-UHFFFAOYSA-N	302.309	1.484	50	20	DDGD	
Cc1cc(F)ncc1C=NNC(=O)c1n[nH]c2c1CCCC2	1120343761	SVEDFLAQNZYURM-UHFFFAOYSA-N	301.325	1.895	50	20	DDGD	
C[C@]1(c2ccccc2)C[C@@H]1NC(=O)NNC(=O)c1cccnn1	883458708	UQFDOMAIQXCBIL-XJKSGUPXSA-N	311.345	1.151	50	20	DDGD	
N#Cc1ccc(NNC(=O)NC[C@@H]2CC2(Cl)Cl)nc1	887624073	FMHBSLVUQAMJQH-QMMMGPOBSA-N	300.149	1.773	50	20	DDGD	
COCc1cccc(CNC(=O)NNC(=O)C2CCOCC2)c1	883112259	HGHFAOVCAIBWSE-UHFFFAOYSA-N	321.377	1.090	50	20	DDGD	
O=C(NNC(=O)c1nccs1)c1cnn(-c2ccccc2)c1	770483717	FOXRRJWLQAFJQH-UHFFFAOYSA-N	313.342	1.404	50	20	DDGD	
Cc1ccc2c(c1)CC[C@H]2NC(=O)NNC(=O)C1CCOCC1	883191291	YGMFJKJTUCCCII-OAHLLOKOSA-N	317.389	1.739	50	20	DDGD	
O=C(NNc1nccc(N2CCOCC2)n1)N1CCCCCC1	883096715	PGIADOYVIGCFLD-UHFFFAOYSA-N	320.397	1.226	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@@H](CC(=O)OC)c1ccncc1	787411206	CSPUVJWXBQLDBH-UKVQZPPCSA-N	303.318	1.246	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(N2CCNC2=O)ccc1C	786265542	SNQKAAKHHBDVMB-UHFFFAOYSA-N	305.338	1.087	50	20	DDGD	
CCO[C@H]1CCN(C(=O)NNC(=O)c2cc3ccccc3o2)C1	1121967390	WFJGZCWYZJNFQS-LBPRGKRZSA-N	317.345	1.898	50	20	DDGD	
CCOC(=O)NNC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1	784980072	JFDSOMZXRBOXSN-JTQLQIEISA-N	315.370	1.457	50	20	DDGD	
C=C(C)CCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	1120608152	KQMVMSGMEZCLNR-UHFFFAOYSA-N	303.362	1.746	50	20	DDGD	
C#Cc1ccc(C(=O)NNc2nnc(-c3ccccn3)s2)nc1	788558182	JVAKGRFECNIZKO-UHFFFAOYSA-N	322.353	1.733	50	20	DDGD	
COc1ccc(CC(=O)NNc2oc(C(C)C)nc2C#N)nc1	789914916	JCEUQAJGPXEZEC-UHFFFAOYSA-N	315.333	1.759	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C2CCOCC2)cc1F	883060627	RQIYAHYQXTVZGK-UHFFFAOYSA-N	324.352	1.341	50	20	DDGD	
Cc1ccnc(NNC(=O)C(=O)Nc2ccnn2C(C)C)c1	783929431	UXMBEITWWJIXDH-UHFFFAOYSA-N	302.338	1.249	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1cccnc1S	788178577	RUICBNOAVQWCEI-UHFFFAOYSA-N	313.346	1.103	50	20	DDGD	
CC(C)(O)C(=O)NN=Cc1csc(COc2ccccc2)n1	785458342	WTPQKTWEHXQVSM-UHFFFAOYSA-N	319.386	1.943	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@H]1CCC[C@@H](C)CC1	785957825	MYPJTCLFWBWJBI-UPJWGTAASA-N	315.414	1.337	50	20	DDGD	
COC(=O)c1ccc(/C=C(\C#N)C(=O)C2CCOCC2)n1C	899370981	CLLXLDVOIUBEQY-FMIVXFBMSA-N	302.330	1.714	50	20	DDGD	
CCOC(=O)N(C)CCCC(=O)NNc1nccnc1C(C)C	897587374	OTVPCULWDNJFRL-UHFFFAOYSA-N	323.397	1.912	50	20	DDGD	
CCc1nn(C)c(CC)c1CC(=O)NNc1ccc(C#N)cn1	899661145	LMHHRJYVCWFUCF-UHFFFAOYSA-N	312.377	1.497	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNC(=S)NC(C)(C)C)C1(C)C	899995859	IRJWZZZRYMJMRX-MNOVXSKESA-N	313.467	1.922	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NN=C1C(=O)OC[C@@H]1C	794877116	OHUFKAGYHKOSCF-JTQLQIEISA-N	314.345	1.264	50	20	DDGD	
CC[C@@H](C)CC[C@H](O)CC(=O)NNC(=S)NC(C)(C)C	899997286	ODUGPPZIVQLTBK-MNOVXSKESA-N	303.472	1.858	50	20	DDGD	
CCOC(=O)N[C@H](C(=O)NNC(=S)NC(C)(C)C)C(C)C	899992076	LUANVTCMYNFCKK-VIFPVBQESA-N	318.443	1.051	50	20	DDGD	
Cc1ccccc1-c1noc(C)c1C(=O)NNC(=O)C(C)(C)O	793918344	BLZYSCXEFOVIFP-UHFFFAOYSA-N	317.345	1.490	50	20	DDGD	
C=CCNC(=S)NNC(=O)CCCn1cnc2ccccc21	798306099	SWRZOVOKDZHLMZ-UHFFFAOYSA-N	317.418	1.498	50	20	DDGD	
Cc1nn(C)c(C)c1[C@H](C)C(=O)NNc1nc2ccccn2n1	791260244	LLAJLAMRXVMEFO-VIFPVBQESA-N	313.365	1.326	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)c1c[nH]c2ccccc12	792842151	FWYUHBOPZSLGNB-YGRLFVJLSA-N	303.362	1.990	50	20	DDGD	
CNC(=O)Cc1ccc(NC(=O)NNc2ncccc2C)cc1	792220762	DZTJEYYETABPAP-UHFFFAOYSA-N	313.361	1.827	50	20	DDGD	
CSc1c(F)cccc1C(=O)NNC(=O)c1cc(C)[nH]n1	797965268	SJYMYSPZQMFPIA-UHFFFAOYSA-N	308.338	1.654	50	20	DDGD	
CC(=NNC(=O)c1ccc(O)c(O)c1)c1cc(O)cc(O)c1	794555754	IGZMUQSJFZDRSQ-UHFFFAOYSA-N	302.286	1.663	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCc1ccc2[nH]ccc2c1	799715162	MLXDSWMGZVVGGS-UHFFFAOYSA-N	304.350	1.077	50	20	DDGD	
CCc1occc1C(=O)NNC(=O)c1cccc(N(C)C)c1	797409595	IULIIUBOIRTDAO-UHFFFAOYSA-N	301.346	1.983	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	795985001	DRVZXQJOQOKPGH-DMDPSCGWSA-N	316.398	1.173	50	20	DDGD	
Cc1cccnc1NNC(=O)NCCCOC[C@H]1CCOC1	791027101	WNMOTZDKVLKCNX-CYBMUJFWSA-N	308.382	1.459	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1c[nH]c(Br)c1	1318563973	KLDKOQJLFYVTFQ-UHFFFAOYSA-N	302.172	1.974	50	20	DDGD	
COc1cccc(CO[C@@H](C)C(=O)NNc2ccn(C)n2)c1	1321387924	CALYOPPVKCJXOQ-NSHDSACASA-N	304.350	1.477	50	20	DDGD	
CCOCCOCCN(C)CCI	191317640	BWFAPKXSEDSPPD-UHFFFAOYSA-N	301.168	1.406	50	20	DDGD	
Cc1nn(C)cc1CCC(=O)NC[C@@]1(C)C[C@H]1Br	1328645000	GURSFUYRRBEYHZ-DGCLKSJQSA-N	314.227	1.951	50	20	DDGD	
Cc1cnc(NC(=O)NNC(=O)c2n[nH]c3c2CCCC3)s1	1320994525	WWNOCTGHPSEMJT-UHFFFAOYSA-N	320.378	1.520	50	20	DDGD	
C[C@@H](C(=O)NNC(=S)NCCc1cccs1)n1cccc1	1330136025	OYPXNWASEXYXJT-NSHDSACASA-N	322.459	1.849	50	20	DDGD	
O=C(NNC(=O)N1CC[C@@H](c2ccc(F)cc2)C1)c1cn[nH]c1	1348122500	IWDLZVMZRXEKHD-LLVKDONJSA-N	317.324	1.393	50	20	DDGD	
C=C(CC)C(=O)NNC(=O)[C@@H](C)Oc1ccc(OCC)cc1	1347250623	NTVPOYYNTKPAOO-GFCCVEGCSA-N	306.362	1.966	50	20	DDGD	
COCCCOCC(=O)NNc1cncc(Br)c1	1341777154	XMLIGTSLSSQTHM-UHFFFAOYSA-N	318.171	1.340	50	20	DDGD	
C[C@]1(COC(=O)CCn2ccccc2=O)C[C@@H]1Br	1344036802	ONMVYNUXEQECIJ-GXFFZTMASA-N	314.179	1.955	50	20	DDGD	
COc1cncc(C(=O)NNC(=O)c2ccccc2Cl)n1	1343529812	PONAITGKOIAPHO-UHFFFAOYSA-N	306.709	1.213	50	20	DDGD	
CN(C)C(=O)CCCC(=O)NNc1ccc(F)c(C(=O)O)c1	1605994377	YPJRQPLTYDQKAR-UHFFFAOYSA-N	311.313	1.226	50	20	DDGD	
O=C(NCCC[C@H]1CCOC1)NNc1cccc(C(=O)O)c1	1601495412	AKLQJFHZIOYEAY-NSHDSACASA-N	307.350	1.828	50	20	DDGD	
O=C(NC[C@@H]1CCCCCN1)NNc1cccc(C(=O)O)c1	1608437017	WFNGZESHSANPNZ-ZDUSSCGKSA-N	306.366	1.543	50	20	DDGD	
CC[C@H](C)[C@@H](NNC(=O)c1cnn(-c2ccccc2)c1)C(=O)O	1604947212	QAAOZAPCXUYWNM-SMDDNHRTSA-N	316.361	1.606	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)Nc1ccnc(C(=O)O)c1	1605815263	ACWWBYLIRHYTJK-UHFFFAOYSA-N	317.261	1.837	50	20	DDGD	
Cc1ccc(NNC(=O)C(C)(C)N2CCOCC2)cc1C(=O)O	1600463456	ZVAYHIZKGCDWIM-UHFFFAOYSA-N	321.377	1.247	50	20	DDGD	
C[C@@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Cl)C2	1802288597	AINRVUNFJYJVJV-HOTMZDKISA-N	308.806	1.477	50	20	DDGD	
Nc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)c(Cl)c1	1549319381	HRAALPXOBJMVDV-JSGCOSHPSA-N	322.796	1.236	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2CC[C@@H]3C[C@H](C)CN3C2)c(C)o1	1548616217	ZEVKZHKTXIHOLN-ZLKJLUDKSA-N	319.405	1.778	50	20	DDGD	
Cc1ccccc1[C@@H](NNC(=O)c1ccc(C#N)cc1)C(=O)O	1610529570	VKQQLZHYTUIRDM-OAHLLOKOSA-N	309.325	1.927	50	20	DDGD	
O=C(NN=Cc1ccccc1Cl)[C@H]1CN2CCC[C@H]2CO1	1549314714	JYWYJMMAOLVJMN-GXTWGEPZSA-N	307.781	1.653	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NN=C[C@@H]1CCCO[C@H]1c1cnn(C)c1	1552763460	UGGPJLZQCJXQFV-SPWCGHHHSA-N	320.393	1.415	50	20	DDGD	
C[C@@H]1C[C@H](C(=O)NNC(=O)c2cccc3cccnc23)CCN1	1579471324	YRYSOLJXFWJRNZ-DGCLKSJQSA-N	312.373	1.384	50	20	DDGD	
Cc1[nH]c(C(=O)NNc2ncccc2C(=O)O)c(C)c1C=O	1574298806	NVXZDFZBKXNLTG-UHFFFAOYSA-N	302.290	1.294	50	20	DDGD	
C=C(CCC(=O)OC)C(=O)NNc1ccc(CC(=O)O)cc1	1573339030	NEKXLXAZRNHYAO-UHFFFAOYSA-N	306.318	1.266	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@@H](c2ccccc2)c2cnn[nH]2)n1	1577430626	CTCGEXMUGUCYBC-HNNXBMFYSA-N	323.360	1.924	50	20	DDGD	
O=C(NNc1ncccc1C(F)(F)F)[C@@H](F)[C@@H]1CCNC1	1580742826	GRXCIJLOSYYGHG-APPZFPTMSA-N	306.263	1.491	50	20	DDGD	
NC1CCN(CC(=O)NNc2cccc(F)c2Cl)CC1	1580189811	KBXBCJPGQSQANF-UHFFFAOYSA-N	300.765	1.345	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN[C@H](C(=O)O)c1cccc(Cl)c1	1594643254	DXXVETHJVMLREW-UWJYBYFXSA-N	312.753	1.512	50	20	DDGD	
CCCN1CC[C@@H](NC(=O)NNc2ccc(CC(=O)O)cc2)C1	1595906497	BKIWGFVTDDSYSN-CQSZACIVSA-N	320.393	1.424	50	20	DDGD	
COc1c(C(=O)NNc2cccc(F)c2C(=O)O)ccnc1F	1599328416	RKSQCSFOUKFHGI-UHFFFAOYSA-N	323.255	1.824	50	20	DDGD	
COc1cc(C(=O)O)ccc1NNC(=O)CCOCC(C)C	1599377442	ZDSSBSHKCUAMJF-UHFFFAOYSA-N	310.350	1.899	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)Nc1ccccc1C(=O)O	1594782006	NPJPVOPCUQTSMH-UHFFFAOYSA-N	307.697	1.977	50	20	DDGD	
COc1ccc(C(=O)O)cc1S(=O)(=O)N1CC=C(C#N)CC1	1599503168	VQQHSLACCZXIIG-UHFFFAOYSA-N	322.342	1.238	50	20	DDGD	
CO[C@@]1(C(=O)NNc2ccc(C(=O)O)c(F)c2)CCSC1	1599063644	SNBDSLFIZQSVIZ-ZDUSSCGKSA-N	314.338	1.489	50	20	DDGD	
O=C(Cc1ccsc1)NNC(=O)[C@]1(C(=O)O)C[C@H]2CC[C@H]1C2	1594711877	NXRLKBGZZKCKJA-ZSGNIPIJSA-N	322.386	1.329	50	20	DDGD	
N#CC(C#N)=C(N)/C(C#N)=C\c1cc(F)c(C(=O)O)cc1F	1776117609	CDEOCQOLCPUGKO-QPIMQUGISA-N	300.224	1.830	50	20	DDGD	
COC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Cl)C2	1793672516	ILHAREWBMONINA-RMPHRYRLSA-N	320.792	1.442	50	20	DDGD	
O=C(CCCNC(=O)c1ccc(Cl)cc1)NNC(=O)C1CC1	15794171	HTBTZAXGYYOQBB-UHFFFAOYSA-N	323.780	1.407	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2C[C@@H]2C)cc1	18071156	QQCHGKKROXITGA-MISXGVKJSA-N	306.362	1.656	50	20	DDGD	
CC(C)C[C@@H](C)NC(=O)NNC(=O)Cc1cn2ccccc2n1	163101873	VKCNWKRMMTYKNK-GFCCVEGCSA-N	317.393	1.642	50	20	DDGD	
O=C(NNc1ccccc1F)c1ccc(N2CCCC2)nn1	152822911	ZJDNPDKZLJCESI-UHFFFAOYSA-N	301.325	1.973	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)c1cc(Br)c[nH]1	152173195	HVAXVSPIYNYTNA-ZETCQYMHSA-N	318.171	1.353	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2sccc2-n2cnnn2)cc1	155215274	HWSGQCMJGDSSGQ-UHFFFAOYSA-N	311.330	1.352	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CCN1C(=O)CCc2ccccc21	157499407	QXZXJQKHNOVOSX-UHFFFAOYSA-N	318.377	1.095	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2ccc(OC(F)(F)F)cc2)N1	159551795	WZYMGGSQUNUTHG-VIFPVBQESA-N	303.240	1.307	50	20	DDGD	
O=S(=O)(CBr)N1CCC[C@@H](c2ccn[nH]2)C1	127192029	AUNATIAHUAFLPE-MRVPVSSYSA-N	308.201	1.271	50	20	DDGD	
CC(C)N(CCI)CCOCCO	379393528	UZXARFLJXLOZHX-UHFFFAOYSA-N	301.168	1.141	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCOC1)c1cccc(OC(F)F)c1	103041442	GILIQTVRIQNGGI-SECBINFHSA-N	300.261	1.086	50	20	DDGD	
CCCN(CC(F)F)C(=O)NNC(=O)c1ccc(C#N)cc1	103268506	AMNBTBXNQJMYBA-UHFFFAOYSA-N	310.304	1.890	50	20	DDGD	
CCC(=O)N1CCC[C@@H](C(=O)NNc2nccnc2Cl)C1	114894886	VTWQACYBKYBCCK-SECBINFHSA-N	311.773	1.222	50	20	DDGD	
O=C(CCn1cc([N+](=O)[O-])cn1)NNc1ccc(F)cc1F	113432878	IRIVQOZOUNUOOZ-UHFFFAOYSA-N	311.248	1.603	50	20	DDGD	
C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NNC(=O)Cc1cccnc1	103533365	ZIRMATIBQSJQLS-XQQFMLRXSA-N	304.394	1.033	50	20	DDGD	
CCc1cnc(CNC(=O)NNc2nc(C)cc(C)n2)s1	174164631	DRPYQXIMWRLEEJ-UHFFFAOYSA-N	306.395	1.939	50	20	DDGD	
CC[C@H](C)[C@H](C)NC(=O)NNC(=O)Cc1cn2ccccc2n1	175380455	XAZHJZKPHCXLHG-RYUDHWBXSA-N	317.393	1.642	50	20	DDGD	
O=C(CCC1CCOCC1)NNC(=O)c1ccc(Cl)nc1	173566125	BQCXYKRDEGDFLU-UHFFFAOYSA-N	311.769	1.703	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H]1c2ccccc2CC[C@H]1C	179631674	DSRGBSZHANBWTR-ABAIWWIYSA-N	305.378	1.677	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NCc2cccc(F)c2)cc1	60994664	KTQQZKCPLLYDBP-UHFFFAOYSA-N	312.304	1.842	50	20	DDGD	
Cc1cc(Cl)cc(C(=O)NNC(=O)Cn2nc(C)cc2C)c1	122925947	DBJPJVKJCDTBTK-UHFFFAOYSA-N	320.780	1.923	50	20	DDGD	
COC1(C(=O)NNC(=O)COCc2ccccc2)CCCCC1	186853836	SYRAXTCRFWMJOR-UHFFFAOYSA-N	320.389	1.700	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1ccnc(F)c1	125930369	PRRNRGOQJTUKJS-UHFFFAOYSA-N	323.711	1.958	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)Cc1cccc2ccccc12)n1cncn1	74411273	VBRGBQLEIVWEDR-LBPRGKRZSA-N	323.356	1.382	50	20	DDGD	
Cc1cc(C)n2nc(C(=O)NNc3c(C)cccc3F)nc2n1	184319091	RVSWYAFMDWZYBY-UHFFFAOYSA-N	314.324	1.946	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2ccc[nH]2)cnn1C1CCCC1	122313006	SWNHTFDHWPMHIH-UHFFFAOYSA-N	301.350	1.710	50	20	DDGD	
Cc1cc(C)cc(C(=O)NCC(=O)NNc2ncc(F)cn2)c1	122794191	AZQROXRIIDMCOD-UHFFFAOYSA-N	317.324	1.106	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1ccnn1C(C)(C)C	126066083	PSKYABFVRCYKRR-UHFFFAOYSA-N	323.397	1.160	50	20	DDGD	
COc1ccnc(NNC(=O)CCCOc2cccc(F)c2)n1	72004540	PWGYGVNSSZSPOY-UHFFFAOYSA-N	320.324	1.927	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)[C@H](CC)c2ccccc2)CC1	73552780	MJRPZSMCUQPDJV-CYBMUJFWSA-N	318.373	1.671	50	20	DDGD	
CCCN1CCC(NC(=O)NNC(=O)OC(C)(C)C)CC1	74710515	JJQWKVSDVJROCF-UHFFFAOYSA-N	300.403	1.600	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2COc3ccccc3C2)n1	47094729	OTXWPSLMUFKGPO-ZDUSSCGKSA-N	313.361	1.723	50	20	DDGD	
CC(C)NC(=O)CCCC(=O)NNc1ncnc2ccsc12	132528541	YJBJDEXAARRPJQ-UHFFFAOYSA-N	321.406	1.829	50	20	DDGD	
CC(C)=CCNC(=O)NNC(=O)COc1ccc(C#N)cc1	190683865	RJAXYNGRVSPYCU-UHFFFAOYSA-N	302.334	1.234	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNc1ncccn1)C1CCCCC1	46314119	SHZHFIPHUBPJGS-CYBMUJFWSA-N	306.414	1.613	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)N[C@H]1C[C@@H]1C1CCCCC1	83233794	QQZUKILRFQJVHT-CABCVRRESA-N	316.405	1.923	50	20	DDGD	
C=C(Br)CNC(=O)NNC(=O)c1ccccc1F	49286228	NJWLCPYGIFFVMZ-UHFFFAOYSA-N	316.130	1.678	50	20	DDGD	
COCCOCCC(=O)NNC(=O)c1cccc(Cl)c1	194194597	OROQTCIUDSAVSJ-UHFFFAOYSA-N	300.742	1.154	50	20	DDGD	
Cc1cccc(OC[C@@H](C)NC(=O)NNC(=O)c2ccc[nH]2)c1	97215463	WXPJOMQYLJQQKW-GFCCVEGCSA-N	316.361	1.735	50	20	DDGD	
CCN1CCN(c2ccc(NC(=O)NNC(C)=O)c(C)c2)CC1	146428100	YWNNZGWCUQPWCY-UHFFFAOYSA-N	319.409	1.310	50	20	DDGD	
CCCN1CC[C@@H](CNC(=O)NNc2cncc(Cl)n2)C1	97257966	MZXFLOBXIVNRKR-JTQLQIEISA-N	312.805	1.488	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c1	249104044	HTXRNXJBAPMTIM-SLEUVZQESA-N	317.389	1.691	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2CCOC3(CCC3)C2)n1	269211816	BCOZWVCBXWNPMP-SNVBAGLBSA-N	307.354	1.213	50	20	DDGD	
Cc1c(C(=O)NNC(=O)CC(C)(C)C)nnn1-c1ccccc1	264019327	IVZZEORKEQMUPO-UHFFFAOYSA-N	315.377	1.773	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1nc(-c2cccnc2)no1	263978665	YQZSIXXXDREPRJ-SNVBAGLBSA-N	321.337	1.016	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H](O)COC)cc1	269598457	ZSRVCXFNLNJVNE-MAUPQMMJSA-N	304.346	1.116	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)C2CCC2)ccc1[N+](=O)[O-]	265237463	INPWAMRXIRTOAT-UHFFFAOYSA-N	313.335	1.013	50	20	DDGD	
CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)NNc1ncccn1	269637631	QNXPNGZRLHITGH-HNNXBMFYSA-N	323.397	1.861	50	20	DDGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1cn[nH]c1	362985900	LHASWIPYVWHKLW-UHFFFAOYSA-N	304.697	1.870	50	20	DDGD	
COC(=O)c1ccc(F)c(NC(=O)NNC(=O)CC2CC2)c1	273512386	UGUCLFMEOWDZKD-UHFFFAOYSA-N	309.297	1.565	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cc(C)n(CCC#N)n2)n1	274854385	RSHWGSXKEXAPAO-UHFFFAOYSA-N	316.325	1.052	50	20	DDGD	
CO[C@H]1CCCC[C@H]1NC(=O)NNc1nc2ccccn2n1	276907921	OMFKUSOWEFTZPV-MNOVXSKESA-N	304.354	1.313	50	20	DDGD	
O=C(NN=c1nc(-c2ccc(Cl)cc2)[nH]o1)c1ccncc1	362704791	KGUHGOROORIPIZ-UHFFFAOYSA-N	315.720	1.964	50	20	DDGD	
Cn1c(=O)oc2c(NC(=O)NNC(=O)CC3CC3)cccc21	273490065	WOTANBXQOGIBPS-UHFFFAOYSA-N	304.306	1.084	50	20	DDGD	
CC1(C)[C@H](NC(=O)NNC(=O)c2ccccc2)[C@@H]2CCCO[C@H]21	365672055	PBJQKMNGHWODAK-BFHYXJOUSA-N	317.389	1.834	50	20	DDGD	
COC(C)(C)CC(=O)NNC(=O)c1cccc2ncccc12	278789054	MKJGBZGXISJHMO-UHFFFAOYSA-N	301.346	1.811	50	20	DDGD	
CCOc1cc(C)ccc1NC(=O)C(=O)NNC(=O)[C@H](C)CC	274070065	NWQUFZJBFHSGQX-LLVKDONJSA-N	321.377	1.526	50	20	DDGD	
CCN1CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CC1=O	273467680	JAVGRSVNYSSKKT-LCYFTJDESA-N	301.321	1.423	50	20	DDGD	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H]2CCO[C@@H](C)C2)c1	271860132	DNHVROWLVBMFGC-KBPBESRZSA-N	320.389	1.645	50	20	DDGD	
CC(=O)CCCC(=O)NNC(=O)CSc1ccccc1O	274846605	VCLRRFKFKSPIKQ-UHFFFAOYSA-N	310.375	1.391	50	20	DDGD	
COc1ccc(COCCCC(=O)NNC(=O)C2CCC2)cc1	270466455	GTXDHZIILAKRLU-UHFFFAOYSA-N	320.389	1.940	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)nn1	277138448	UQABFLVJTUKMGI-JTQLQIEISA-N	324.385	1.324	50	20	DDGD	
CC(C)(C)c1ccc(NC(=O)C(=O)NNC(=O)CC2CC2)cc1	274091058	UDPPYSRELOTXTB-UHFFFAOYSA-N	317.389	1.870	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1)C1CC1	281536811	KHKOZHJDZSGWBV-LBPRGKRZSA-N	320.374	1.324	50	20	DDGD	
Cc1ccc(NNC(=O)C(=O)Nc2ccn(C(C)C)n2)cc1	281068783	QPYDBUIEEVHJHZ-UHFFFAOYSA-N	301.350	1.854	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)c1	282543644	CIGSWLQUSLKECA-SLEUVZQESA-N	306.362	1.335	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@H]2CCOC[C@H]2C)n1	286911152	JSPINJOEOWXHSY-MWLCHTKSSA-N	309.370	1.092	50	20	DDGD	
O=C(NC[C@H]1CCC(F)(F)C1)NNc1nc2ccccn2n1	280577664	KXASOROGZKMKKA-VIFPVBQESA-N	310.308	1.791	50	20	DDGD	
CN(C)C(=O)N1CCC(C(=O)NNc2ncccc2F)CC1	285952350	LDRIDANMLJPHBQ-UHFFFAOYSA-N	309.345	1.057	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCCNC(=O)C1CC1	282566034	APBGZDYVDSMHHP-UHFFFAOYSA-N	304.394	1.710	50	20	DDGD	
CC(=NNC(=O)c1ccc2c(c1)OCCO2)c1cn(C)c(C)n1	800809534	BFAHYOJKAPOOHF-UHFFFAOYSA-N	314.345	1.654	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)CN(C)[C@@H](C)C1(C)CC1	298611596	MHAVWNLHVBNZGP-AWEZNQCLSA-N	317.433	1.805	50	20	DDGD	
O=C(CCc1cc(F)ccc1F)NNC(=O)N=c1cc[nH]cc1	802034329	JGCHNBUHVSMFNA-UHFFFAOYSA-N	320.299	1.567	50	20	DDGD	
CCOc1cc(C)ccc1NC(=O)NNC(=O)[C@@H]1CCCO1	292576153	HTMNYWOPHVAWAB-LBPRGKRZSA-N	307.350	1.725	50	20	DDGD	
CCOC(=O)N[C@@H](CNC(=O)NNc1ccncn1)CC(C)C	296591906	XEHDNGDBCXHOAW-LLVKDONJSA-N	324.385	1.264	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1cc(Cl)ccc1OC	295799654	AZQKDOQKAZSBJX-UHFFFAOYSA-N	308.743	1.240	50	20	DDGD	
COc1ncc(C(=O)NNc2nccnc2C2CCC2)cn1	805464466	YDQQKGFGOMKPAD-UHFFFAOYSA-N	300.322	1.300	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1	804162944	XKAFAOWSHRFXFT-GFCCVEGCSA-N	318.352	1.327	50	20	DDGD	
CCc1ccc2occ(C(=O)NNC(=O)[C@@H]3CCCO3)c2c1	294611657	JZCDOGHMCMKDAB-AWEZNQCLSA-N	302.330	1.935	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNC(=O)NCc1ccco1	805172076	SNUXYCVTZZWRBU-UHFFFAOYSA-N	311.338	1.089	50	20	DDGD	
COc1cccc(NNC(=O)NCc2ncccc2N(C)C)n1	290856668	BCJXZUUHOJLVDO-UHFFFAOYSA-N	316.365	1.378	50	20	DDGD	
O=C(NCc1cnn2ccccc12)NNc1cccc(F)n1	805780646	NGBWYTHWZABLNG-UHFFFAOYSA-N	300.297	1.695	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCO[C@H](C(F)(F)F)C1	814865547	SWOAXLXSAGSNRH-WPRPVWTQSA-N	312.288	1.251	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1S(=O)(=O)CCl	817144002	QJRAVTSLIFFLFG-VHSXEESVSA-N	311.831	1.955	50	20	DDGD	
NS(=O)(=O)c1ccc(NC(=O)NN=Cc2ccsc2)cc1	814965850	QXPAIIZGWGBRDX-UHFFFAOYSA-N	324.387	1.551	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C1CCCCc2ccc(N)cc21	817325295	FDQLSLRINKJLPD-GFCCVEGCSA-N	319.405	1.867	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NN=C1CCN(CCO)CC1	819804845	KDOGCKQOBUOMGS-UHFFFAOYSA-N	309.797	1.443	50	20	DDGD	
CN(NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)C1CC1	819645693	RBYKPSKQZVDCLT-UHFFFAOYSA-N	306.757	1.119	50	20	DDGD	
CCc1cnc(C=NNC(=O)CNC(=O)c2cccs2)s1	814826710	FGFCQKLHXNROGS-UHFFFAOYSA-N	322.415	1.647	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCO[C@@H](C(F)(F)F)C1	814865546	SWOAXLXSAGSNRH-WCBMZHEXSA-N	312.288	1.251	50	20	DDGD	
COc1cccc(N2CC[C@@H](NC(=O)NNC(=O)C(C)C)C2)c1	728220768	JONXYNZFTWFSJG-GFCCVEGCSA-N	320.393	1.260	50	20	DDGD	
O=C(NN=C1COCCOC1)c1cc2ccccc2cc1O	814694463	LMWLORDWDBGYCN-UHFFFAOYSA-N	300.314	1.678	50	20	DDGD	
Cc1c(C(=O)NNc2cnnn2C)cnn1-c1ccccc1F	816769804	XGKUGLMNCMIAEC-UHFFFAOYSA-N	315.312	1.205	50	20	DDGD	
Nc1c(C(=O)NNc2cccc(F)c2)cnn1-c1ccccn1	815851483	IMGBJMSLZOLBCW-UHFFFAOYSA-N	312.308	1.746	50	20	DDGD	
O=C(NCc1ccc2c(c1)CCO2)NNC(=O)c1ccccc1	726191985	NHUAIQNRQYEONL-UHFFFAOYSA-N	311.341	1.766	50	20	DDGD	
CCN(C)[C@@H](C(=O)NNc1nccc(OC)n1)c1ccccc1	728602083	HASSDJXCHKRKHW-CQSZACIVSA-N	315.377	1.621	50	20	DDGD	
O=C(NCCOCCF)NNc1cccc(Br)n1	824320147	DONGURLODPIXET-UHFFFAOYSA-N	321.150	1.456	50	20	DDGD	
O=C(CN1CCOC1=O)NNc1ncc(Cl)cc1Cl	822062779	UJWDAFYXIKZKLW-UHFFFAOYSA-N	305.121	1.284	50	20	DDGD	
COC(=O)Nc1cc(NC(=O)NN=c2cc[nH]cc2)ccc1F	495553911	GZENVKANPUYBFP-UHFFFAOYSA-N	319.296	1.970	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1nc(-c2ccsc2)oc1C	726939355	DFWFIJLXINGZMG-UHFFFAOYSA-N	308.363	1.604	50	20	DDGD	
CC(C)COC(=O)N1CCC(=NNC(=O)c2cnn(C)c2)CC1	495795740	QHLRHCHMYBGCSP-UHFFFAOYSA-N	321.381	1.394	50	20	DDGD	
CC(=O)NC[C@H](CC(=O)NNC(=O)C1CCCC1)CC(C)C	822473876	APAGHMZPERFKPX-ZDUSSCGKSA-N	311.426	1.513	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)NCCc1ccccc1[N+](=O)[O-]	495526216	WJHVXQMCDCPGNK-UHFFFAOYSA-N	324.337	1.876	50	20	DDGD	
N#C[C@@]1(C(=O)NNc2ncccc2[N+](=O)[O-])CC12CCCC2	826897144	JNDHFKWZWNVDJN-CQSZACIVSA-N	301.306	1.907	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NCC2(CO)CCCCC2)cn1	827142642	NHUABDPUDXLVPE-VGOFMYFVSA-N	302.378	1.386	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](Cc1nc[nH]n1)c1ccccc1	491043585	AAJNLTISCQFEJC-QLKUMGTLSA-N	311.345	1.649	50	20	DDGD	
CC1CCN(c2cccc(NCc3ccc(B(O)O)o3)c2)CC1	585016676	VSCLUNOSKXNLJG-UHFFFAOYSA-N	314.194	1.808	50	20	DDGD	
COc1ccccc1CCC(=O)NNC(=O)c1cccc(C#N)c1	728828241	MEGBPGDKADSZLX-UHFFFAOYSA-N	323.352	1.961	50	20	DDGD	
CN(NC(=O)CN(C)[C@H]1CCSC1)C(=O)OC(C)(C)C	496254729	MYDBPSAQOMKYOG-JTQLQIEISA-N	303.428	1.322	50	20	DDGD	
COC(=O)N(C)NC(=O)c1nn(-c2cccc(F)c2)cc1O	496734911	OCNHBWVTVZTHFF-UHFFFAOYSA-N	308.269	1.060	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)CC(C)(C)NC(=O)OC(C)(C)C	823951666	MFSFWOPOJOHYGP-JTQLQIEISA-N	303.403	1.024	50	20	DDGD	
O=C(NNC(=O)[C@H]1CSC(c2ccccc2O)=N1)C1CCC1	827216116	KLSBGHLZMBFGCR-LLVKDONJSA-N	319.386	1.202	50	20	DDGD	
CCC[C@H]1C[C@H]1NC(=O)NNc1cccc(-c2nn[nH]n2)c1	821034844	VIZZDDMSJANIST-JOYOIKCWSA-N	301.354	1.681	50	20	DDGD	
CCc1ccc(N(CC2CC2)C(=O)c2cccc(B(O)O)c2)cc1	584999392	UAFABRANOSHGEO-UHFFFAOYSA-N	323.201	1.986	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(C(F)(F)F)c(OC)c1	823800000	XTHJHEOPAUWAIE-UHFFFAOYSA-N	305.256	1.678	50	20	DDGD	
CCOC(=O)[C@H](C(=O)NNc1ccccc1C(=O)OC)C(C)C	821719792	GYAMEZJKHZNPTK-ZDUSSCGKSA-N	322.361	1.752	50	20	DDGD	
C=CCNC(=S)NNC(=O)/C=C/c1ccc(O)c(OCC)c1	492333549	XIGSVCXOFKHBTC-SOFGYWHQSA-N	321.402	1.485	50	20	DDGD	
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NN(C)C(=O)OC(C)(C)C	496508465	PXTISZZYNHRCQV-WDEREUQCSA-N	314.382	1.864	50	20	DDGD	
Cc1ccc2c(c1)[C@H](NCc1ccc(B(O)O)cc1F)CO2	585027923	ASKKNLKKRMEENK-OAHLLOKOSA-N	301.126	1.037	50	20	DDGD	
COc1ccc(/C=C/C(=O)NNc2cc(Cl)nc(N)n2)cc1	492648836	OSAVJCLCLOKIOC-QPJJXVBHSA-N	319.752	1.877	50	20	DDGD	
C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NCB(O)O	585061389	WVEKBXHJYLTUQI-ZCFIWIBFSA-N	307.995	1.602	50	20	DDGD	
Cn1c(C(=O)NNC(=O)Cc2ccccc2F)ccc1[N+](=O)[O-]	731330447	STOWIGSFNBXGFK-UHFFFAOYSA-N	320.280	1.076	50	20	DDGD	
COc1cc2c(cc1F)C(=NNC(=O)CC(F)(F)F)C(=O)N2	834943088	ZZEUTWAQMOAPID-UHFFFAOYSA-N	319.214	1.559	50	20	DDGD	
CSCc1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)cc1	833262298	VLLAPUIZCAOGBL-CYBMUJFWSA-N	308.403	1.880	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(CSc2nc[nH]n2)cc1	731620704	HEJRTLOFAZQBQU-UHFFFAOYSA-N	320.378	1.013	50	20	DDGD	
OB(O)c1ccc(CNCC2(Cc3cccc(Cl)c3)CC2)o1	585046612	UQEYQXUKTWRISU-UHFFFAOYSA-N	319.597	1.725	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@@H]2CC23CCSCC3)n1	830962345	REKFJJHUNRCNAM-NSHDSACASA-N	305.403	1.684	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H](O)c1cccc(Br)c1	908113136	NHKYPRJNHNTAAH-SECBINFHSA-N	317.139	1.212	50	20	DDGD	
CCC(=O)c1cc(C(=O)NNC(=O)[C@H]2CCCCO2)ccc1F	833246154	DWQGGORHJKYEQH-CQSZACIVSA-N	322.336	1.749	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1c(C)cc(C)nc1C	836631764	HBTCNNWUZDFKPD-UHFFFAOYSA-N	302.338	1.954	50	20	DDGD	
CC(C)[C@@H](NCc1ccc(B(O)O)cc1)c1nc(C2CC2)no1	585032244	DJTKIGLYEXNWPU-CQSZACIVSA-N	315.182	1.114	50	20	DDGD	
COC(=O)c1cc(OC(=O)c2cccnc2)ccc1[N+](=O)[O-]	732652679	MAHJUULBUYIZPZ-UHFFFAOYSA-N	302.242	1.996	50	20	DDGD	
O=C(NN=Cc1ccc(F)cc1)c1cccc(-c2nn[nH]n2)c1	738128739	KSKNLCYCWWAYSE-UHFFFAOYSA-N	310.292	1.770	50	20	DDGD	
C[C@@H]1CCCC[C@@H]1CCNC(=O)NNC(=O)C(=O)N1CCCC1	734071504	LZCSUPANEKMPOT-CHWSQXEVSA-N	324.425	1.156	50	20	DDGD	
CCCCO[C@@H]1C[C@H](NC(=O)c2ccc(B(O)O)cc2)C1(C)C	584961466	REROCAJQYYVJGT-LSDHHAIUSA-N	319.210	1.080	50	20	DDGD	
O=C(NC[C@H]1CCCCC1(F)F)NNC(=O)[C@H]1CCCCO1	836523548	KQPOJOBQNMMQKG-GHMZBOCLSA-N	319.352	1.711	50	20	DDGD	
CCCOCc1ccccc1CNCc1cccc(B(O)O)c1	585017352	VCZZKLYEPBYIAB-UHFFFAOYSA-N	313.206	1.583	50	20	DDGD	
CC(C)OC(=O)CCNC(=O)NNc1ccc(Cl)nn1	916219602	HBRVVHMLXHBJLH-UHFFFAOYSA-N	301.734	1.098	50	20	DDGD	
COC(=O)CC(C)(C)CC(=O)NNc1ncc(F)cc1F	837208116	GYPNDMBWVDGXQF-UHFFFAOYSA-N	301.293	1.782	50	20	DDGD	
O=C(NCCc1ccc2c(c1)OCO2)NNC(=O)C1CCCC1	915932542	QKIBBAMHMIXNPI-UHFFFAOYSA-N	319.361	1.478	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)NCCCCCCN)cc1	831248638	KPBZPSGJYSWOHA-UHFFFAOYSA-N	306.410	1.712	50	20	DDGD	
Cn1cc(C[C@H]2CCN(C(=O)NNC(=O)C(C)(C)C)C2)cn1	747502041	OASPVJPLKNGLDQ-LLVKDONJSA-N	307.398	1.071	50	20	DDGD	
CN(C)c1cccc(C(=O)NNc2ccnc(N(C)C)n2)c1	740104073	BWBMWNZZZIYRDB-UHFFFAOYSA-N	300.366	1.366	50	20	DDGD	
CC(C)(O)CCC(=O)NNc1ncc(Br)cn1	848321665	AEBVBULZBGZUGO-UHFFFAOYSA-N	303.160	1.233	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)Sc1ccc(-c2ccco2)nn1	845351569	QORNSBHEMFJFPQ-SECBINFHSA-N	320.374	1.775	50	20	DDGD	
COc1cc(F)c(C=NNC(=O)N2CCOCC2)cc1OC	844577781	BUHLCHBEWZEJIF-UHFFFAOYSA-N	311.313	1.219	50	20	DDGD	
O=C(NNC(=O)c1csc2cncn12)c1ccc(Cl)nc1	746129269	QADGBCUHECFXIK-UHFFFAOYSA-N	321.749	1.519	50	20	DDGD	
COc1ccc(SCCCC(=O)NN(C)C[C@@H](C)O)cc1	910161522	UXKJOHPNUGGJOJ-GFCCVEGCSA-N	312.435	1.911	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1cc(F)c(OC)cc1OC	844274833	HWQDLZFSHCWIPT-WDZFZDKYSA-N	308.309	1.512	50	20	DDGD	
Cc1noc(C(C)C)c1C(=O)NNc1ccnc(N(C)C)n1	740112144	DHQFLQMSZVBRLZ-UHFFFAOYSA-N	304.354	1.719	50	20	DDGD	
COCC[C@H](C)CNC(=O)NNC(=O)c1cccc(N(C)C)c1	840400251	WLIFILIASMBILS-LBPRGKRZSA-N	322.409	1.369	50	20	DDGD	
Cc1ccc(OCCNC(=O)NNC(=O)c2ccc[nH]2)c(C)c1	915929799	IXFLNSMKMHOYKC-UHFFFAOYSA-N	316.361	1.655	50	20	DDGD	
Cc1ccc2c(CC(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)coc2c1	843647096	MXXMOLINCFYKAG-DGCLKSJQSA-N	316.357	1.856	50	20	DDGD	
Cn1ccnc1[C@H](CC(=O)NNc1cnccn1)C(F)(F)F	847755262	WCYWSJAVRKVPRT-QMMMGPOBSA-N	314.271	1.389	50	20	DDGD	
CC(C)Cc1nc(C(=O)NNC(=O)c2ncccn2)cs1	841353699	FGRTWWYGWJCGSE-UHFFFAOYSA-N	305.363	1.206	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)C[C@@H](C)n2ccnc2)c1O	846631584	ADWWVSJFLFDKNR-SNVBAGLBSA-N	318.333	1.010	50	20	DDGD	
CCC(CC)(CO)C(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	847589743	MQZUXUFDKARUFO-UHFFFAOYSA-N	311.338	1.845	50	20	DDGD	
CS[C@H](C(=O)NNc1nccn(C)c1=O)c1ccccc1	747941977	IHUGGIANNLMDPV-NSHDSACASA-N	304.375	1.328	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2O)cc1	917664760	PAGYILBSXRFMNP-UHFFFAOYSA-N	313.313	1.100	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCN(C(=O)OC(C)(C)C)C1CC1	910141285	RQYDVDBIRIFPML-NSHDSACASA-N	315.414	1.120	50	20	DDGD	
CCN(CC)CCSCC(=O)NNC(=O)C1CCCC1	746120916	DPKIACXKZBWCGV-UHFFFAOYSA-N	301.456	1.399	50	20	DDGD	
COC(=O)C1(C(=O)NNc2ncnc(Cl)c2C(C)C)CC1	840546790	BNQYQGFJTXOSFT-UHFFFAOYSA-N	312.757	1.650	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)C[C@H](C)n1ccnc1	846062727	KHOYHUCPYZQGCO-LBPRGKRZSA-N	301.350	1.996	50	20	DDGD	
C[C@@H](N)CNC(=O)NNC(=O)c1cc2c(s1)CCCCC2	841986195	SMOCGCURLAESKI-SECBINFHSA-N	310.423	1.308	50	20	DDGD	
Cn1c(=NNC(=O)CCCn2cccn2)sc2ccccc21	747622385	MPEQRNXZETYRNE-UHFFFAOYSA-N	315.402	1.849	50	20	DDGD	
O=C(NNC(=O)C1CC1)C(=O)Nc1ccc2c(c1)CCCCC2	845918656	PSQXWAPAIHHIAL-UHFFFAOYSA-N	315.373	1.451	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1)[C@@H](C)O	842236922	XHGDHCYNKCKJPK-RKDXNWHRSA-N	322.390	1.306	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cn(-c2ccccc2)cn1	844551764	IKZRUROJWKSTQA-CQSZACIVSA-N	314.345	1.202	50	20	DDGD	
CCN1CCCC[C@@H]1C(=O)NNc1ccc(CC(=O)OC)cc1	846372558	VLZYKDIUIYKNJL-OAHLLOKOSA-N	319.405	1.720	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1csc2c1CCCC2	843971447	BETNIWJYUFFRDR-VHSXEESVSA-N	308.403	1.813	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1ccc(F)cc1	743445207	JGFQBYHUHCFQDZ-UHFFFAOYSA-N	304.281	1.110	50	20	DDGD	
CCO[C@@H]1CC(=NNC(=O)c2cc([N+](=O)[O-])ccc2O)[C@H]1OC	841624293	CPGLLPXAOOIHHR-CHWSQXEVSA-N	323.305	1.210	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNc1cccc(Br)c1	920442269	YDDOFAHARMJMIE-QMMMGPOBSA-N	314.183	1.807	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccc2c(c1)CCCCC2	844802840	KQCXYJIWEYRNCR-UHFFFAOYSA-N	304.394	1.670	50	20	DDGD	
CSSCCNC(=O)N1CCC[C@@H](c2nc(O)n[nH]2)C1	922390062	WYUHNHANKUMVSL-MRVPVSSYSA-N	317.440	1.411	50	20	DDGD	
O=C(Cc1ccc2c(c1)COC2)NNC(=O)CC(F)(F)F	757873699	KIHRBPIOUZOACE-UHFFFAOYSA-N	302.252	1.359	50	20	DDGD	
CC(C)N1CC(=NNC(=O)[C@H]2COc3ccccc3O2)[C@H](C)C1	754256605	XFVNKQYKNZDCOU-MLGOLLRUSA-N	317.389	1.659	50	20	DDGD	
C[C@@H]1CC(=O)NCCN1C(=O)NC[C@]1(C)C[C@H]1Br	856952746	DROBNHGSLLXVCG-LNLATYFQSA-N	318.215	1.080	50	20	DDGD	
CN(C)[C@@H](C(=O)NNc1cnnn1C)c1cccc(Cl)c1	857271745	XMOZFZLGMMODQL-GFCCVEGCSA-N	308.773	1.215	50	20	DDGD	
N#Cc1ccc(CCNC(=O)NNC(=O)[C@H]2CCCCO2)cc1	852450809	WRGHOFNGUOUOPS-CQSZACIVSA-N	316.361	1.000	50	20	DDGD	
Cc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cc1C	853388676	PXGHYXXBPXAAQJ-CVEARBPZSA-N	301.390	1.617	50	20	DDGD	
CCCCOc1ccc(C(=O)NNc2cnnn2C)c(O)c1	857273040	LSGYMOJNUTUISM-UHFFFAOYSA-N	305.338	1.457	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@H]2CCc3cc(F)ccc32)nc1O	856794876	WMQJVIJFWBXLBM-LLVKDONJSA-N	303.297	1.198	50	20	DDGD	
N#Cc1ccc(OCC(=O)NN=Cc2cnc3n2CCC3)cc1	853265085	FGBJKRPAEOGXLT-UHFFFAOYSA-N	309.329	1.230	50	20	DDGD	
CCNC(=O)NNC(=O)C1(N(C)C(=O)OC(C)(C)C)CCC1	858782504	SKTDUSKLSJECDQ-UHFFFAOYSA-N	314.386	1.126	50	20	DDGD	
Cc1ccc(Cl)cc1NNC(=O)N[C@H]1CCCN(C)C1=O	921313007	GLQBTGQQPLXEDP-NSHDSACASA-N	310.785	1.895	50	20	DDGD	
CC[C@H](NCC(=O)NNC(=O)Cc1ccccc1C)C1CC1	852554823	DFRYUPVEVJJXAQ-HNNXBMFYSA-N	303.406	1.463	50	20	DDGD	
Nc1cc(C(=O)NN=Cc2cccc(F)c2O)cc([N+](=O)[O-])c1	755563343	CBLGYHQIGABJHV-UHFFFAOYSA-N	318.264	1.786	50	20	DDGD	
CCc1cnc(NC(=O)C(=O)NNc2ncccc2C)s1	756201579	YVCGQXSSIYUUOP-UHFFFAOYSA-N	305.363	1.491	50	20	DDGD	
C[C@H](c1ccccc1)[C@](C)(O)C(=O)NNC(=O)CC(F)(F)F	855001128	VPMCIBQGDVZJRP-RNCFNFMXSA-N	318.295	1.641	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@@H](F)c1ccccc1	854283725	IHWPNQFHSNRMKP-LBPRGKRZSA-N	313.398	1.571	50	20	DDGD	
CNC(=S)N(C)NC(=O)C[C@@H](O)c1ccc(Cl)cc1	854922650	ORKAULWQJJCAED-SNVBAGLBSA-N	301.799	1.231	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)CCCc1nccs1)C1CC1	855096978	GXKLLZUOJAFMLZ-SECBINFHSA-N	312.464	1.760	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)Cc2occc2C)c1	854188446	AIBPIMQLELEVHL-UHFFFAOYSA-N	302.330	1.665	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc(OC)c1C	850209751	MPPLRAMLWGCRGZ-JTQLQIEISA-N	308.334	1.106	50	20	DDGD	
O=C(NNC(=O)N1CCN(c2cccs2)CC1)C1CCCC1	753345177	PGPFDPQEPHHUGL-UHFFFAOYSA-N	322.434	1.801	50	20	DDGD	
CCOc1cccc([N+](=O)[O-])c1C(=O)NN(C)C(=S)NC	854920480	PMZFDRIZCVVRHI-UHFFFAOYSA-N	312.351	1.074	50	20	DDGD	
C=C(C)CN1CCC(NC(=O)NNc2ncc(Cl)cn2)CC1	856859937	OUZGTIGNUASZON-UHFFFAOYSA-N	324.816	1.797	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)c1	858296588	QWQFKNFROBGLTN-ZYHUDNBSSA-N	322.434	1.483	50	20	DDGD	
C#CCCCCNC(=O)NNC(=O)c1cc(OC)cc(OC)c1	758880103	JDKNJYVATREHSY-UHFFFAOYSA-N	319.361	1.451	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNC(=O)c2c[nH]nc2C)C1(C)C	759845299	IIXZIDSBAUZEFJ-PWSUYJOCSA-N	306.366	1.121	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCCC(N)=O)c1C	759545611	DRQFGOLKBYOKST-ZROIWOOFSA-N	303.362	1.841	50	20	DDGD	
CC(C)[C@H](C(=O)NNc1nc2ccccc2[nH]1)N1CCCC1=O	768496675	QYYSFXDAEJPWNM-CQSZACIVSA-N	315.377	1.653	50	20	DDGD	
Cc1cccc(NNC(=O)C(=O)Nc2cnc(C(C)C)nc2)n1	861959321	CDTKFGPMAABZET-UHFFFAOYSA-N	314.349	1.385	50	20	DDGD	
CC(=O)N[C@H](CC(C)C)C(=O)NNc1nccnc1C(C)C	861359532	LRLIYUHZJJKWAS-GFCCVEGCSA-N	307.398	1.594	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)/C=C\CCc1ccccc1	869068903	XDBGPSSUXVMJBC-RUUGTXROSA-N	302.374	1.748	50	20	DDGD	
O=C(Cc1c(F)cccc1F)NNC(=S)Nc1ccccn1	768583652	DVVIFZBUKSJXJJ-UHFFFAOYSA-N	322.340	1.920	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCCCc1cccs1	769733436	YSOGCLOBWYMQLM-UHFFFAOYSA-N	318.402	1.649	50	20	DDGD	
CCC(=NNC(=O)C(=O)NC(CC)CC)c1ccc(N)cc1	863094980	BAJOAWOYXQRDRG-UHFFFAOYSA-N	304.394	1.804	50	20	DDGD	
COc1ccccc1SCC(=O)NN=Cc1cnnn1C	761269289	AAEPOFSAGRMCEF-UHFFFAOYSA-N	305.363	1.066	50	20	DDGD	
O=C(NN=C1CCC(O)CC1)c1cc(Br)c[nH]1	761786635	RYXVATMZMYFAAJ-UHFFFAOYSA-N	300.156	1.798	50	20	DDGD	
CC(=O)Nc1ccc(CC(=O)NN[C@@H](C)C(F)(F)F)cc1	862305838	XHXCYMZPQXGTGI-QMMMGPOBSA-N	303.284	1.759	50	20	DDGD	
CCN(CC)CCC(=O)NN=C(C)c1cc(C(=O)OC)co1	766432520	SWXDILTWXQKESF-UHFFFAOYSA-N	309.366	1.638	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc([C@@H]3CCOC3)c2)n[nH]1	761489464	YHNBLANDNLIDMZ-CYBMUJFWSA-N	314.345	1.297	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)c2cccc(F)n2)c1	763334484	GNYHRFPYHVRDCJ-UHFFFAOYSA-N	319.292	1.313	50	20	DDGD	
O=C(NNC(=O)c1ccc(O)c(F)c1)c1ccc(Cl)nc1	767301457	VBUKMGQHRLPHBU-UHFFFAOYSA-N	309.684	1.655	50	20	DDGD	
Cc1cccc2c1CCC2=NNC(=O)CNC(=O)c1cccnc1	763197015	YHLOEZQCTVYYKI-UHFFFAOYSA-N	322.368	1.587	50	20	DDGD	
COC/C=C\C(=O)NNC(=O)c1cc2c(s1)CCCCC2	864538649	ZQPJRZOQSVWMKQ-YVMONPNESA-N	308.403	1.981	50	20	DDGD	
C[C@H](NNC(=O)[C@@]1(C)Oc2ccccc2NC1=O)C(F)(F)F	869377434	YSSNBUYRRAKYLZ-MADCSZMMSA-N	317.267	1.348	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)c1n[nH]cc1[N+](=O)[O-]	764753291	URBIVOYEDGJKRD-UHFFFAOYSA-N	305.279	1.080	50	20	DDGD	
Cc1coc(-c2cccc(NCc3ccc(B(O)O)cc3)c2)n1	864029805	CWRCHIFWKXGKGT-UHFFFAOYSA-N	308.146	1.942	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)C(=O)Nc1ccc(C2CC2)cc1	763999118	OBXUNACXGFCWAA-UHFFFAOYSA-N	312.329	1.292	50	20	DDGD	
O=C(CCc1cccc2c1OCO2)NNC(=O)C1CCCC1	769850946	QEXSEWUWNSGILJ-UHFFFAOYSA-N	304.346	1.686	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C(C)(C)O)cc(OC)c1C(C)C	768245275	UNDDXQFKICEQFC-UHFFFAOYSA-N	324.377	1.359	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)NCCc2cccs2)n(C)n1	874194392	LQGBXGBWAZZQFT-UHFFFAOYSA-N	321.406	1.231	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CSc1ccccc1	771934423	RQEATBYEGJEYNQ-SNVBAGLBSA-N	310.375	1.268	50	20	DDGD	
CS[C@@H](C)CCC(=O)NNc1nc(O)c2cnn(C)c2n1	773378036	ASLBPHQVQMVSGW-ZETCQYMHSA-N	310.383	1.044	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)c1ccc(C(C)=O)o1	773974102	DJLFUQRZETVAIS-UHFFFAOYSA-N	316.313	1.495	50	20	DDGD	
CCCn1cc(C=NNC(=O)Cc2cn3ccccc3n2)nn1	872355489	VXYCEDPIQMOAAN-UHFFFAOYSA-N	311.349	1.029	50	20	DDGD	
CCn1nncc1CNC(=O)NNc1cc(F)c(F)cc1F	875766099	IPSFJINMBKOOQG-UHFFFAOYSA-N	314.271	1.542	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNc2ccc(C(F)(F)F)cn2)CN1	775257197	HBLYDJUNHOLESF-SSDOTTSWSA-N	302.256	1.070	50	20	DDGD	
COC(=O)c1cc(NC(=O)NNc2ncccn2)ccc1C	775654666	FFBCXMHQROLZMO-UHFFFAOYSA-N	301.306	1.720	50	20	DDGD	
O=C(NNc1ncc(Br)cn1)N[C@@H]1CC12CCC2	873264368	FGTDELYOHQHXOK-MRVPVSSYSA-N	312.171	1.808	50	20	DDGD	
COC1(CO)CCN(/C(=C\C#N)c2cccc([N+](=O)[O-])c2)CC1	773933311	CYVHUKINDHMBAU-WCSRMQSCSA-N	317.345	1.933	50	20	DDGD	
CC(C)CC(=O)NNC(=O)c1csc(Br)n1	873927288	YQFBXLMRWDONJB-UHFFFAOYSA-N	306.185	1.713	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@H](C)COCC(F)(F)F)cc[nH]1	875170698	MNVZULFLARJZGK-SECBINFHSA-N	306.288	1.405	50	20	DDGD	
CC[C@H](CO)NC(=O)NNC(=O)c1cccc(OC(F)F)c1	775735955	HKLZXYOWGXGQCT-SECBINFHSA-N	317.292	1.003	50	20	DDGD	
C=C[C@@H](COC)NC(=O)NNc1cccc(C(=O)OC)c1C	1118539870	BPISNVMYPCIJIY-NSHDSACASA-N	307.350	1.609	50	20	DDGD	
CC(C)(C(=O)NNC(=O)Cc1ccc(F)cc1)c1cccnc1	770549284	LLRLFTIDEJLHEW-UHFFFAOYSA-N	315.348	1.888	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=O)COc2ccc(F)cc2)o1	770813809	SPLMUHXBBZNGHZ-UHFFFAOYSA-N	320.276	1.461	50	20	DDGD	
CC(C[C@H](C)CC(C)C)=NNC(=O)Cc1cc(O)nc(O)n1	779771099	FYYUEYQZYAZOGS-SNVBAGLBSA-N	308.382	1.995	50	20	DDGD	
CC(C)Oc1cccc(CC(=O)NNC(=O)C2CCOCC2)c1	883061823	IRVPKKLOTMEPHH-UHFFFAOYSA-N	320.389	1.590	50	20	DDGD	
O=S(=O)(CCCCl)N[C@@H]1CCN(CC(F)(F)F)C1	881844443	XBNICGDXICKRJC-MRVPVSSYSA-N	308.753	1.171	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCOc2ccccc21	772088383	NNSSHKRURDZLRK-ZYHUDNBSSA-N	320.345	1.042	50	20	DDGD	
CC1(C)COc2c(C(=O)NNC(=O)c3ccccn3)cccc21	788725851	QDPZPRROWIGMSV-UHFFFAOYSA-N	311.341	1.826	50	20	DDGD	
COC(=O)c1cccc(C(=O)NNc2ccc(OC)cn2)c1	781516916	YUVGNNSEQOGSGA-UHFFFAOYSA-N	301.302	1.634	50	20	DDGD	
C=C(CBr)COC(=O)Cn1ccc(C(=O)OC)n1	885050074	BSEKQXCZCNNOQO-UHFFFAOYSA-N	317.139	1.164	50	20	DDGD	
C[C@H]1C(=O)N(C)[C@H](C)[C@H](C)N1S(=O)(=O)CC(C)(C)CCl	882869825	QUSAPSRXYWXKML-VWYCJHECSA-N	324.874	1.521	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Nc2cc(C)n(C)n2)c1	780605050	QOBBGWCVNPJRRD-UHFFFAOYSA-N	303.322	1.664	50	20	DDGD	
COC(=O)C12CC(C(=O)NNc3c(F)cc(F)cc3F)(C1)C2	885153671	NGOSSONPBXOQNW-UHFFFAOYSA-N	314.263	1.890	50	20	DDGD	
CCCN(C(=O)/C(C#N)=C\c1cnn(C)c1)[C@H](C)C(=O)OC	888608875	SNESJKLQQQSRTP-NUBYWOLOSA-N	304.350	1.127	50	20	DDGD	
CN(CC(=O)NNc1ccc(F)c(F)c1)[C@H]1CCSC1	885112975	KRGSHLCYRYDFIO-JTQLQIEISA-N	301.362	1.845	50	20	DDGD	
Cc1nc(C)c(CC(=O)NNC(=O)Cc2ccccc2F)s1	888868515	HNEQOGVORJFEBP-UHFFFAOYSA-N	321.377	1.832	50	20	DDGD	
C[C@@H](C(=O)NC(C)(C)C)N(C)S(=O)(=O)CCCCCl	780855427	OFKKFQUXLBEKNQ-JTQLQIEISA-N	312.863	1.570	50	20	DDGD	
CCOCC(=O)NNC(=O)NCC(F)(F)c1ccccc1	788850160	HKYIWBPFASWXON-UHFFFAOYSA-N	301.293	1.145	50	20	DDGD	
CCS(=O)(=O)/C(C#N)=C/c1ccc(OCC(=O)OC)cc1	786044120	HXVWPERRIPLQPL-MDWZMJQESA-N	309.343	1.538	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H](CC1CC1)NC(=O)OC(C)(C)C	895510013	FEQKPPLXYSZZFF-LLVKDONJSA-N	313.398	1.483	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H](O)c1cccc(Br)c1	899946801	IYJJCDPRXGOBQD-SNVBAGLBSA-N	315.167	1.286	50	20	DDGD	
O=C(NN=C[C@@H]1CCSC1)C1CCN(c2ncccn2)CC1	782229374	DJZCVWSYKDPWKN-LBPRGKRZSA-N	319.434	1.548	50	20	DDGD	
CCOc1c(OC)cc(C=NNC(=O)C(C)(C)O)cc1OC	785463362	VTWWANNQNMBINU-UHFFFAOYSA-N	310.350	1.324	50	20	DDGD	
N#CCCNC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	787350806	GXGLHESQISYDJC-UHFFFAOYSA-N	304.394	1.837	50	20	DDGD	
COC(=O)c1cccc(CC(=O)NNc2cccc(OC)n2)c1	780769696	RLZADCHLOAEOBS-UHFFFAOYSA-N	315.329	1.563	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1ccccc1-c1csc(C)n1	796990848	GZBIBNWBXMFPSB-UHFFFAOYSA-N	318.358	1.224	50	20	DDGD	
Cc1cccnc1NNC(=O)Nc1cnn(C[C@H]2CCCO2)c1	792314493	RIIPERLZPDLDMP-CYBMUJFWSA-N	316.365	1.914	50	20	DDGD	
O=C(CCOc1cccc(F)c1)NNc1nc2ccccn2n1	791242599	KHKWRHRRTJSAME-UHFFFAOYSA-N	315.308	1.781	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)[C@@H]2CCC(=O)c3cccn32)n1	790783801	AGNHQECNBGTZOZ-JTQLQIEISA-N	319.752	1.901	50	20	DDGD	
C[C@H](CBr)CN1C[C@@H](N2CCOCC2)C[C@H]1C	796373508	BABAXPMNDSEHCS-UPJWGTAASA-N	305.260	1.812	50	20	DDGD	
CC[C@H](C(=O)NNc1ccc(C(F)(F)F)nn1)C(=O)OC	790817425	KDUKLZDUWKEFJK-ZCFIWIBFSA-N	306.244	1.138	50	20	DDGD	
O=C(Cc1ccc2c[nH]nc2c1)NN=c1cc[nH]cc1Cl	793823691	JSIOMHUBHHPNCZ-UHFFFAOYSA-N	301.737	1.719	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)NCCC1(C)CC1	792201806	WFXAVLVKQMFMAG-UHFFFAOYSA-N	315.377	1.777	50	20	DDGD	
CCOC(=O)c1cc(C=NNC(=O)c2ccc(O)cc2)[nH]c1C	799465555	JJHBOOFSZBVKGO-UHFFFAOYSA-N	315.329	1.969	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C(C)c1ccc(O)nn1	790144179	JNDMUBFYGGMLQV-UHFFFAOYSA-N	315.333	1.143	50	20	DDGD	
CCc1cccc(C)c1NNC(=O)NCc1ncnn1CC	799632708	HUEXIJCMEATODK-UHFFFAOYSA-N	302.382	1.995	50	20	DDGD	
Cc1cnc(COCC(=O)NNC(=O)Cc2ccc(F)cc2)o1	794796770	ZJVWHIMPPIEVBW-UHFFFAOYSA-N	321.308	1.029	50	20	DDGD	
Cc1cccnc1NNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2	791224189	QJICYWMCTKHJJF-UHFFFAOYSA-N	316.273	1.784	50	20	DDGD	
Cn1c(=O)cc(C(=O)NNC(=O)C(C)(C)C)c2ccccc21	1319463229	HDGMDYNJHOPFCP-UHFFFAOYSA-N	301.346	1.346	50	20	DDGD	
COC(=O)C(=O)NN=C1CC2(CCCC2)Oc2ccccc21	1319090427	YYOPTDKVCOVOHV-UHFFFAOYSA-N	302.330	1.775	50	20	DDGD	
O=S(=O)(CCl)NC[C@@H]1CCCN1Cc1ccccc1	390529109	KRZXFVGPVRAYRI-ZDUSSCGKSA-N	302.827	1.767	50	20	DDGD	
Cc1cc(=NNC(=O)Nc2ccnn2C[C@H]2CCOC2)cc[nH]1	1329402935	NNMCVIYWZDISBF-GFCCVEGCSA-N	316.365	1.194	50	20	DDGD	
O=C(NNC(=O)C1CCNCC1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21	1325314002	UWCUGZLDMIHZTC-ARILJUKYSA-N	320.437	1.141	50	20	DDGD	
COCCN(C)NC(=O)c1cc(C)n(Cc2ccco2)c1C	1328185810	DSKDWWPKLVAGFC-UHFFFAOYSA-N	305.378	1.969	50	20	DDGD	
Cc1nc([C@@H](C)NC(=O)NNc2ccc(C(C)(C)C)nn2)no1	1323403801	RKWHOWLKRUQSEK-MRVPVSSYSA-N	319.369	1.853	50	20	DDGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)NCCCCN)cc1	1325324607	DMWWAHKXSMOSIE-UHFFFAOYSA-N	306.410	1.667	50	20	DDGD	
O=C(Cc1c[nH]c2cnccc12)NNC(=O)CC1CCCC1	1327973293	VKIMSRYZJMGWEE-UHFFFAOYSA-N	300.362	1.833	50	20	DDGD	
COc1ccc(C(=O)NNC(=S)NC[C@H]2CCCCO2)cc1	1323052158	KBPUDOZKHNMZTN-CYBMUJFWSA-N	323.418	1.373	50	20	DDGD	
COC(=O)C(=O)NN=C(C)c1sccc1Br	1322286154	LJDUNSGMTKGNCD-UHFFFAOYSA-N	305.153	1.524	50	20	DDGD	
O=C(NNc1ccc(F)cn1)Nc1ccnn1C[C@@H]1CCOC1	1333441452	QACKFLKCYKQUOO-JTQLQIEISA-N	320.328	1.602	50	20	DDGD	
O=C(c1cccc(CCl)c1)N1CCC(O)(c2nn[nH]n2)CC1	1335909071	KTPHGIOKRPGKGF-UHFFFAOYSA-N	321.768	1.062	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1COc2c(F)cc(F)cc2C1	1337518121	XETXUAIIQHVDHY-PMDBQALLSA-N	308.284	1.828	50	20	DDGD	
Cc1cccnc1[C@H](C)NC(=O)NNC(=O)[C@H]1CCO[C@H]1C	1342126167	VOCODFAQEOKRSB-SRVKXCTJSA-N	306.366	1.206	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H](C)Cc2cnn(C)c2)cc1	1344531321	DNFSNKJBILRYND-LLVKDONJSA-N	316.361	1.069	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc(C(C)(C)C)nn1	1345792311	RQWVXCTVDIBQAT-NXEZZACHSA-N	321.381	1.352	50	20	DDGD	
COCCn1cc(C(=O)OC[C@]2(C)C[C@H]2Br)nn1	1345220234	PPFJLYTUFURRSO-KOLCDFICSA-N	318.171	1.255	50	20	DDGD	
C[C@@H](NC(=O)NNc1cc(F)c(F)cc1F)c1nnnn1C	1527969028	LDMZELWVCBOHLF-RXMQYKEDSA-N	315.259	1.015	50	20	DDGD	
O=C(NNC(=O)c1ccc(C(=O)O)cc1F)OCC(F)(F)F	1601554776	GOKMLVREZOQGNW-UHFFFAOYSA-N	324.186	1.457	50	20	DDGD	
COC(=O)CC1CC(NC(=O)NNc2cccc(C(=O)O)c2)C1	1606447238	WAKQVMPUVWDNOD-UHFFFAOYSA-N	321.333	1.353	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1cc2n(n1)CCCC2	1601561298	ZIVUHAFXSJKZJL-UHFFFAOYSA-N	300.318	1.675	50	20	DDGD	
C[C@@H]1CSC[C@@H]1NC(=O)NNc1ccc(F)c(C(=O)O)c1	1604824367	ZVWXAOVMVGQLTB-HQJQHLMTSA-N	313.354	1.902	50	20	DDGD	
C[C@@H](Cc1ccc(NC(=O)NNC(=O)C2CC2)cc1)C(=O)O	1604226348	KYCYQMHYHYCZIO-VIFPVBQESA-N	305.334	1.513	50	20	DDGD	
O=C(O)c1cc(OC(=O)[C@@H]2C[C@@]23CCOC3)ccc1[N+](=O)[O-]	1608857485	KYVLZTOWOZRZFQ-IINYFYTJSA-N	307.258	1.625	50	20	DDGD	
CN(NC(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1)C1CC1	1609281580	ODAXTWRFHFNSAF-UHFFFAOYSA-N	316.365	1.150	50	20	DDGD	
O=C(O)CCc1ccccc1C(=O)NNC(=O)[C@@H]1CCCS1	1602045688	STSFPPPXSYCSAA-LBPRGKRZSA-N	322.386	1.360	50	20	DDGD	
Cc1ccc(C(=O)NN=C2CCN(CCC(=O)O)CC2)c(O)c1	1600341775	ZZHHRYKAXOENCW-UHFFFAOYSA-N	319.361	1.357	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)Nc1cncc(C(=O)O)c1	1608484257	ORKNEKOURGWJLX-UHFFFAOYSA-N	324.300	1.872	50	20	DDGD	
CCn1ccnc1CNC(=O)NNc1ccc(CC(=O)O)cc1	1605931541	SJFVKPAHGZGTIM-UHFFFAOYSA-N	317.349	1.356	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNc1cccc(C(=O)O)c1	1610052377	NWVOCJVCEUNZOW-CABZTGNLSA-N	323.349	1.599	50	20	DDGD	
COCC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1ccccc1	1549321372	RWQFGWOWCQJQHM-GDBMZVCRSA-N	317.389	1.017	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)CNC(C)C)c1	1579218830	XHPUQUYEQDVMRZ-UHFFFAOYSA-N	314.773	1.499	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@@H](C)C2CCNCC2)cc1	1578252763	OCIHLWQRUFWWFY-LBPRGKRZSA-N	318.421	1.581	50	20	DDGD	
C[C@@H]1Cn2nc(C(=O)NNc3ccc(Cl)c(F)c3)cc2CN1	1576870468	BFPHNXADUWZKOY-MRVPVSSYSA-N	323.759	1.924	50	20	DDGD	
CC(C)[C@H](C(=O)O)C(=O)Nc1cccc(NC(=O)NN(C)C)c1	1588809310	KONVXEMBXXLJQW-LBPRGKRZSA-N	322.365	1.580	50	20	DDGD	
Cc1ncc(C(=O)N2CC3(CCCN3C(=O)[C@H](F)Cl)C2)[nH]1	1843362292	MLSOBRSKENSCKB-JTQLQIEISA-N	314.748	1.070	50	20	DDGD	
CC(C)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Br)C2	1842615420	KBGDQPZSAYGSLT-SECBINFHSA-N	321.190	1.536	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1ccc2c(c1)CNC2	1580573614	MIARVYHOENGFBM-UHFFFAOYSA-N	311.345	1.080	50	20	DDGD	
O=C(c1ccccn1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843363334	YZZHKNIRDWLOED-LLVKDONJSA-N	311.744	1.433	50	20	DDGD	
CN(Cc1ccccc1)C(=O)/C(C#N)=C/c1cc(C(=O)O)nn1C	1593760019	MWZFCOXBOFQHDK-MDWZMJQESA-N	324.340	1.684	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)N[C@H]1CCCC[C@H]1F	1593165218	XUASTQOSDAFEIY-ZJUUUORDSA-N	320.332	1.169	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)C2(C(=O)O)CC2)c1	1594351944	LGTMNBVNSZMQPA-UHFFFAOYSA-N	307.375	1.486	50	20	DDGD	
COC(=O)[C@H]1CN(C(=O)C2CCC(Cl)CC2)C[C@H]1C(=O)O	1598806297	GNBFPXMHJVVDLW-LXKPXOPUSA-N	317.769	1.116	50	20	DDGD	
Cc1oc(C=NNC(=O)c2cn3c(n2)CCCC3)cc1C(=O)O	1776105433	HDPJVEGCQRSVCL-UHFFFAOYSA-N	316.317	1.583	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NN=Cc1cccc(C(=O)O)c1Cl	1776102334	NLNHCIZLIOVKDA-GHMZBOCLSA-N	310.737	1.913	50	20	DDGD	
C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCBr	1795496008	KBXCNOVVIKIMRC-JGPRNRPPSA-N	313.195	1.043	50	20	DDGD	
CC(=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)CCl)C2	1795436398	KQUWWFNWQIRLTP-ZSBIGDGJSA-N	314.813	1.479	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1C=CCCC1	158405402	RYISGUAFDINFIA-LLVKDONJSA-N	304.306	1.648	50	20	DDGD	
CC(C)CC1(C(=O)NNC(=O)CNC(=O)c2ccco2)CCC1	158445308	LFRLEGWAJYEJIS-UHFFFAOYSA-N	321.377	1.373	50	20	DDGD	
COCCC1(C(=O)NNC(=O)CNc2ccccc2)CCC1	160979620	OBTBVSVXJJQPEV-UHFFFAOYSA-N	305.378	1.453	50	20	DDGD	
COc1ccnc(NNC(=O)c2cccc(CN(C)C)c2)n1	155712084	LWZXZWXNFUFEFF-UHFFFAOYSA-N	301.350	1.304	50	20	DDGD	
CCNC(=O)c1ccc(NC(=O)NNc2ncccn2)c(C)c1	157284330	VWGHTSONYXSBFQ-UHFFFAOYSA-N	314.349	1.683	50	20	DDGD	
CC1(C)CN(S(=O)(=O)c2ccc(CCl)cc2)C[C@H]1O	388111059	ZDAWTGARRUPOLI-GFCCVEGCSA-N	303.811	1.817	50	20	DDGD	
CN(NC(=O)OCc1ccccc1)C(=O)[C@@H]1CCCCN1C	824823108	AOLNWUQDPHXSGI-AWEZNQCLSA-N	305.378	1.771	50	20	DDGD	
O=C(NNC(=O)c1ccc2ccccc2n1)c1ccc(F)nc1	172321036	VPBNIJUFLNEWON-UHFFFAOYSA-N	310.288	1.844	50	20	DDGD	
COc1ccc(NC(=O)C(=O)NNc2cccc(C#N)c2)c(C)c1	119454727	ICEYFMVBYCHODL-UHFFFAOYSA-N	324.340	1.957	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccccc1Oc1cccnc1	113424871	MQJNWHZNLFKNOH-UHFFFAOYSA-N	314.345	1.197	50	20	DDGD	
CC(C)[C@H](C(=O)NNC(=O)Cc1cccnc1)N1CCCCC1	104415487	KELTXYPRDXSIFF-MRXNPFEDSA-N	318.421	1.282	50	20	DDGD	
CCOC(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc(CC)cc2)C1	21770541	WPAJKCFCDLALGX-GFCCVEGCSA-N	319.361	1.379	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)COCCc2ccccc2)c1	103401579	VHLNRNQIPXEZOL-UHFFFAOYSA-N	323.352	1.579	50	20	DDGD	
CCN1CCCC[C@@H]1CNC(=O)NNC(=O)c1ccccc1	111444005	XEFQHUHNCHEMJA-CQSZACIVSA-N	304.394	1.505	50	20	DDGD	
Cc1noc([C@@H]2CCCN(C(=O)NNC(=O)C(C)(C)C)C2)n1	109150521	CBZWAMQQOQQZCT-SNVBAGLBSA-N	309.370	1.344	50	20	DDGD	
CCOCC(=O)NNC(=O)c1ccc(F)cc1Br	64835142	DHPFFBGAQSIYRI-UHFFFAOYSA-N	319.130	1.386	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCc2ccc(Cl)s2)cn1	172223053	WFOHGZQWHWELTJ-UHFFFAOYSA-N	313.770	1.279	50	20	DDGD	
CCc1cccc2c1N(CC(=O)NNC(=O)C1CC1)CCC2	114457307	ZFBWFVNVGYYKNZ-UHFFFAOYSA-N	301.390	1.559	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	63269928	WTZOMZUQFAOHOM-UHFFFAOYSA-N	302.375	1.030	50	20	DDGD	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NNc1nccn(C)c1=O	119231954	JUHHGVNJIQBBGU-NXEZZACHSA-N	304.375	1.397	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc(-n2ccnn2)cc1	119547538	BWLVFZABYPWKKX-UHFFFAOYSA-N	318.406	1.175	50	20	DDGD	
CS[C@@H]1CCC[C@H](NC(=O)NNC(=O)Cc2cccnc2)C1	117512067	UGPVNQBHLSQYCX-QWHCGFSZSA-N	322.434	1.629	50	20	DDGD	
N#Cc1csc(C(=O)NNc2nc3ccccc3c(=O)[nH]2)c1	176782299	NYAGALXUTHXPOY-UHFFFAOYSA-N	311.326	1.613	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCCCN(C)c1ccccc1	66701135	QKTSNXUXSGHSQG-UHFFFAOYSA-N	322.409	1.270	50	20	DDGD	
Cn1ncnc1NC(=O)NNc1ncc(Cl)cc1Cl	119995808	LCJSYQAQRASWTM-UHFFFAOYSA-N	302.125	1.666	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)ncn1	172279853	CQBDEVRHIKGJBB-NSHDSACASA-N	315.308	1.493	50	20	DDGD	
COc1ccc(CCC(=O)NNc2ncc(F)cn2)cc1OC	122790441	ZXOIUGBUXZFWQW-UHFFFAOYSA-N	320.324	1.709	50	20	DDGD	
CO[C@@H](C(=O)NNC(=O)c1ccccc1O)c1ccccc1	120252518	MMVROMJLSMODHN-CQSZACIVSA-N	300.314	1.541	50	20	DDGD	
CC(=O)N(C)CC(=O)NNc1cc(C(F)(F)F)ccc1F	128655641	WEQMLMVXPWWIEM-UHFFFAOYSA-N	307.247	1.766	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)CC(C)(C)C)nc2ccccc21	31481103	NEDQTAXLVAZKAM-UHFFFAOYSA-N	302.378	1.699	50	20	DDGD	
C[C@@H](Cc1cccc(F)c1)C(=O)NNC(=O)c1cccn1C	70782741	QTFRVAVROHOUOF-NSHDSACASA-N	303.337	1.804	50	20	DDGD	
C[C@@H](NC(=O)NNc1cccnn1)c1cccc([N+](=O)[O-])c1	77348983	ODWMKJGPRVANCU-SECBINFHSA-N	302.294	1.772	50	20	DDGD	
NC(=O)N[C@@H](CC(=O)NNc1ccnc(F)c1)c1cccs1	182417971	VNTGAWBYFZKWBQ-VIFPVBQESA-N	323.353	1.525	50	20	DDGD	
COC(=O)CCCC(=O)NNC(=O)Cc1c[nH]c2ccccc12	130883615	MQHPNUBHKSEWNP-UHFFFAOYSA-N	317.345	1.201	50	20	DDGD	
CO[C@@H](C(=O)NNc1nc2ccccc2c(=O)[nH]1)c1ccccc1	137130733	ZKKJEIRRDYUJLK-CQSZACIVSA-N	324.340	1.754	50	20	DDGD	
COc1ncccc1NC(=O)C(=O)NNc1cc(C)ccc1F	190463490	VABZIFHCAQFQCJ-UHFFFAOYSA-N	318.308	1.620	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)NCCn1cccc1	84457658	VKVXGYIIICVSLH-UHFFFAOYSA-N	314.389	1.841	50	20	DDGD	
CCCCCNC(=O)NNC(=O)COc1ccc(C#N)cc1	42845270	ITTIFEYZCCMTIA-UHFFFAOYSA-N	304.350	1.458	50	20	DDGD	
CC(=O)NNC(=O)c1c(C)nn(Cc2ccc(F)cc2)c1Cl	192758911	MYPDOIQLGASWKI-UHFFFAOYSA-N	324.743	1.813	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(F)ccc1Br	49165674	LXMPQYHKNXBZDX-UHFFFAOYSA-N	304.119	1.552	50	20	DDGD	
COC(=O)NNC(=O)Nc1cccc(C)c1C(=O)N1CCCC1	46013323	IADFDXJXJZDPOX-UHFFFAOYSA-N	320.349	1.624	50	20	DDGD	
CCNC(=O)NNC(=O)c1cccc(NC(=O)NC(C)C)c1	139178988	JJHFBCXIIIRRJD-UHFFFAOYSA-N	307.354	1.180	50	20	DDGD	
CS[C@H]1CCC[C@H](NS(=O)(=O)CBr)C1	227979404	VHPQYYVEMRUGGD-YUMQZZPRSA-N	302.259	1.932	50	20	DDGD	
O=S(=O)(CCCCCl)NC[C@@H]1CSCCS1	162621715	ZANDDKYXIXTELC-SECBINFHSA-N	303.902	1.773	50	20	DDGD	
O=S(=O)(CCCCCl)NCc1nnc2n1CCCC2	191996343	RXXZGDIACXHDEU-UHFFFAOYSA-N	306.819	1.053	50	20	DDGD	
C[C@H]1CCNC(=O)[C@@H]1NC(=O)/C(C#N)=C\c1ccc(F)cc1	195149651	LPSDRUZVSVQWMU-OKBXIPFOSA-N	301.321	1.373	50	20	DDGD	
O=C(NNC(=O)c1ccc(OCC(F)F)nc1)c1cccnc1	90067995	VFXBBFXBWOTLDK-UHFFFAOYSA-N	322.271	1.195	50	20	DDGD	
O=C(CCOc1ccccc1Cl)NNC(=O)c1ccc[nH]1	97218471	ALEANMPXWROCRF-UHFFFAOYSA-N	307.737	1.898	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2ccc(O)c(O)c2)c(OC)c1	252638702	YEMQCTFXAHXEQT-UHFFFAOYSA-N	316.313	1.879	50	20	DDGD	
O=C(NN=Cc1ccc([N+](=O)[O-])c(O)c1)c1ccccc1O	254873275	AZFAWNDHBLPYOI-UHFFFAOYSA-N	301.258	1.770	50	20	DDGD	
O=C(Cc1cccc([N+](=O)[O-])c1)NNC(=O)NC1CCCC1	266183117	YZQFLLAJZBBVGE-UHFFFAOYSA-N	306.322	1.410	50	20	DDGD	
C[C@@H]1Oc2c(cccc2C(=O)NNC(=O)CC(C)(C)C)NC1=O	264245555	PNRUIJQKCHGJCL-VIFPVBQESA-N	319.361	1.603	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)N(C)C[C@@H]1CCCOC1	264636375	UYTRRASCDZRJMX-ZDUSSCGKSA-N	305.378	1.708	50	20	DDGD	
COC(=O)c1ccc(CS(=O)(=O)N2CC=C(C#N)CC2)cc1	273768919	ZDVGILDEXWDSEY-UHFFFAOYSA-N	320.370	1.459	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NO[C@@H]1CCCCO1)c1ccccc1	275161990	UTJNYILPTDZUOT-CYBMUJFWSA-N	321.377	1.753	50	20	DDGD	
NC(=O)N1CCC[C@H]1C(=O)NNc1cc(Cl)cc(Cl)c1	276845494	JZYGNXOPFXUNGB-JTQLQIEISA-N	317.176	1.980	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)no1	270624643	AZVKFCJBONWKDO-UHFFFAOYSA-N	305.309	1.941	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H]1CCCN1Cc1ccccc1	271464638	XOALVROJMFNIML-AWEZNQCLSA-N	304.394	1.344	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)C1SCCS1	270527796	SUXJPWHIQRKCJS-UHFFFAOYSA-N	316.379	1.158	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@H]1CC12CCNCC2	270678384	DTKLEDMAMRUKHH-SECBINFHSA-N	303.391	1.524	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(C(C)C)cn2)n1	289688731	ZVJCSSYAYRSTQY-UHFFFAOYSA-N	315.377	1.480	50	20	DDGD	
CCCC[C@H](C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	282556867	NNTUOPVKPMTESS-FZMZJTMJSA-N	306.362	1.800	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)C2=C(C)OCCS2)c1	288659029	SLLVKOPJWJOQSM-UHFFFAOYSA-N	308.359	1.911	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCC2([S@](C)=O)CCC2)n1	281682419	ZVXCNFICRXCOCS-NRFANRHFSA-N	311.411	1.021	50	20	DDGD	
CCN1C[C@@H](C(=O)NNc2nccnc2C2CCC2)CC1=O	287203634	NDFSJYVCUDQPOX-NSHDSACASA-N	303.366	1.056	50	20	DDGD	
CCc1cccc(S(=O)(=O)NNC(=O)[C@@H]2CCCCO2)c1	296528426	CSYREMMAHYOMPC-ZDUSSCGKSA-N	312.391	1.128	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1cccc(OC(C)C)c1	297547879	WYXVTMMUVHCLJC-UHFFFAOYSA-N	321.377	1.606	50	20	DDGD	
Cc1cc(=NC(=O)NNC(=O)c2ccncc2)c2ccccc2[nH]1	809885844	PCPVBYRHOLXQJU-UHFFFAOYSA-N	321.340	1.827	50	20	DDGD	
Cn1ccnc1[C@@H]1N(C(=O)NNC(=O)C(C)(C)C)CC1(C)C	296666931	PBLADOFIFIDPKF-JTQLQIEISA-N	307.398	1.590	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C[C@H]2CCC(=O)[C@@H]2C)cc1	802058923	BCDHZBXSWLDLSS-GHMZBOCLSA-N	319.361	1.853	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CC[C@H]1Cc2ccccc2NC1=O	296838396	FBVOUEHJLDMYJW-ZDUSSCGKSA-N	317.389	1.771	50	20	DDGD	
O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2CCCO2)c2ccccc21	294755499	WMAGVNFUOSLWDS-OCCSQVGLSA-N	302.330	1.073	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H](C)OCc2ccccc2)O1	294291283	QHLCKICLFHZGJT-SCRDCRAPSA-N	306.362	1.307	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)c1cn(-c2ccccc2)nn1	299559583	LFRLYMCDMBRCMC-UHFFFAOYSA-N	313.361	1.609	50	20	DDGD	
COc1ccc(CNC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	296199679	HUKHRKDYWVXQTM-ZDUSSCGKSA-N	307.350	1.095	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H](C)OCc2ccccc2)O1	294291280	QHLCKICLFHZGJT-OBJOEFQTSA-N	306.362	1.307	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1ccc(F)c(F)c1F	292745379	JLJMCGHNKUWMSQ-QMMMGPOBSA-N	303.240	1.436	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cnc2nccnc2c1	805379734	NKALYDHLTVZLPG-UHFFFAOYSA-N	324.300	1.998	50	20	DDGD	
CN(C)C(=O)NNC(=S)Nc1cccc(Br)c1	804028531	XTYADKLJCLFHEB-UHFFFAOYSA-N	317.212	1.922	50	20	DDGD	
O=C(COCc1ccccn1)NNc1ccc([N+](=O)[O-])cc1	807083408	ZABSJQAHBDIEGS-UHFFFAOYSA-N	302.290	1.650	50	20	DDGD	
CC(C)(CC(=O)NNC(=O)COc1ccccc1O)C1CC1	293313648	HGZMULKZZLCFHY-UHFFFAOYSA-N	306.362	1.745	50	20	DDGD	
COC1(C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)CCCC1	801111444	OCIOFSYFGNYXBN-UHFFFAOYSA-N	319.361	1.040	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1c[nH]nc1C1CC1	803430942	QPTQTHXMHUNFCU-UHFFFAOYSA-N	309.329	1.886	50	20	DDGD	
CCc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1	295246391	VVQMERRCPNWOHB-GWCFXTLKSA-N	312.391	1.126	50	20	DDGD	
Cc1[nH]nc2ncc(C(=O)NNC(=O)Nc3ccccc3)cc12	801992371	KRBXEXBCSAUKGA-UHFFFAOYSA-N	310.317	1.733	50	20	DDGD	
COC[C@]1(C)CCN(C(=O)NNC(=O)c2ccc(C)s2)C1	296503854	YJFUJGFRAKVCDB-CQSZACIVSA-N	311.407	1.769	50	20	DDGD	
COC(=O)[C@@H]1C[C@H]2CC(=NNC(=O)c3ccc(O)cc3)[C@H]1C2	817322395	WDGPOVQRDMXJPT-TVYUQYBPSA-N	302.330	1.697	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NN=Cc1cn(C)nc1O	814215225	NYWQPTMPMSRSER-SECBINFHSA-N	306.297	1.182	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCCCCCC(=O)O	818963672	YCHWPWKLPYWWMP-UHFFFAOYSA-N	322.365	1.976	50	20	DDGD	
CN(NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C1CC1	819641346	SFGPWGWMMKEUTQ-UHFFFAOYSA-N	302.783	1.483	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@]2(C)CC2(F)F)c2ccccc21	817512129	DBZQVUOETGXBOF-CQSZACIVSA-N	307.300	1.985	50	20	DDGD	
NS(=O)(=O)c1ccc(C=NNC(=O)CC2CC2)cc1Cl	814989679	QAHOZWCUDQYSFD-UHFFFAOYSA-N	315.782	1.238	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@H]2CCC[C@@H](OC)C2)nc1	815878560	KODVXJJXYXJDPD-CMPLNLGQSA-N	307.350	1.517	50	20	DDGD	
COc1cnc(C(=O)NNC(=O)Nc2ccccc2C)nc1	816565563	TXQGBLZPBRTXGE-UHFFFAOYSA-N	301.306	1.260	50	20	DDGD	
COc1cc(C(=O)NN=C2CC(C(=O)O)C2)cc(OC)c1OC	814698747	QQYGZGSDYWVROG-UHFFFAOYSA-N	322.317	1.293	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)c1ccc(OC)c(OC)c1	812446587	HEMYQTPUPDJNQF-QWRGUYRKSA-N	324.377	1.383	50	20	DDGD	
CSCCNC(=O)NNC(=O)CSc1ccc(C)cc1	726278926	OLSAIWDCGKYUDQ-UHFFFAOYSA-N	313.448	1.781	50	20	DDGD	
C[C@@H](Oc1cccnc1)C(=O)NNc1nc2ccccc2n1C	816580275	ZPMBEUHVDOOWKK-LLVKDONJSA-N	311.345	1.879	50	20	DDGD	
CCOc1c(C=NNC(=O)CN(C)C)c(C)nn1CC(C)C	727648144	VEHDNFMXMNLKLC-UHFFFAOYSA-N	309.414	1.258	50	20	DDGD	
C[C@H](C#N)Oc1ccc(C=NNC(=O)N2CCOCC2)cc1	727684341	HLQUFVCILKBYKI-GFCCVEGCSA-N	302.334	1.353	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCCS1	826446513	ONIVPZWOISRTJW-LLVKDONJSA-N	304.379	1.596	50	20	DDGD	
COc1cccc(C=NNC(=O)CN(C)C)c1OC(F)F	727649968	RVRUQFGHCPBMBZ-UHFFFAOYSA-N	301.293	1.308	50	20	DDGD	
C[C@H](Cc1cccs1)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	825632605	BXQRZLDHHDGXNF-FOGDFJRCSA-N	311.407	1.435	50	20	DDGD	
O=C(/C=C\c1cccc(F)c1)NNc1ccc(-n2ccnc2)nn1	492883530	AWOVPHIMWJVIGY-DAXSKMNVSA-N	324.319	1.958	50	20	DDGD	
Cn1c(S)nnc1CNC(=O)/C(C#N)=C\c1ccc(F)cc1	490841647	JHCVPGWPHOGLHK-POHAHGRESA-N	317.349	1.466	50	20	DDGD	
O=C(CCCc1ccccc1)NN=Cc1ccc(-c2nn[nH]n2)o1	822958950	OZYHRHDDFAAYMX-UHFFFAOYSA-N	324.344	1.933	50	20	DDGD	
COc1ccc2c(c1)c(C(=O)NN(C)[C@H](C)CO)c(C)n2C	823912352	CVSHWAQZIMVHSI-SNVBAGLBSA-N	305.378	1.453	50	20	DDGD	
C[C@@H](C=NNC(=O)N1CCOCC1)CNC(=O)OC(C)(C)C	495907539	XCRNNJVOAAWOHS-LLVKDONJSA-N	314.386	1.175	50	20	DDGD	
COc1ccc(NNC(=O)c2ccc(-c3nn[nH]n3)nc2)cc1	821838760	PFAIDJKFJODXND-UHFFFAOYSA-N	311.305	1.027	50	20	DDGD	
Cc1ccc2c(c1)CCN(C(=O)NNC(=O)[C@H]1CCO[C@H]1C)C2	827258804	DYSWWJICXLPYLY-WFASDCNBSA-N	317.389	1.519	50	20	DDGD	
CCCCNC(=O)NNC(=O)[C@H](C)CNC(=O)OC(C)(C)C	495613245	QAKCXFKFOLKTRF-SNVBAGLBSA-N	316.402	1.278	50	20	DDGD	
Cc1ccc(F)c2c1NC(=O)C2=NNC(=O)Cc1cccnc1	728786366	IEHRUJNVRBXHOZ-UHFFFAOYSA-N	312.304	1.544	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cccc2c1O[C@H](C)C(=O)N2	729342888	CQFYREZIAFSQBL-SECBINFHSA-N	320.349	1.150	50	20	DDGD	
CCC(=O)NN[C@H](C(N)=O)c1ccc(Br)cc1	729676130	CNKQAHMHEVVKBL-JTQLQIEISA-N	300.156	1.006	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)c1ccc(NC2CC2)nc1	728893187	IYJAGQUMAIXDQA-UHFFFAOYSA-N	311.345	1.055	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC(F)(F)F)c2c(C)n[nH]c2n1	725888692	MMZGQIPJYCUGLQ-UHFFFAOYSA-N	315.255	1.288	50	20	DDGD	
CN1CCN(C)[C@@H](CNC(=O)/C(C#N)=C/c2ccc(F)cc2)C1	490879194	QRINVSPOOHUZOT-IDJPSDCMSA-N	316.380	1.095	50	20	DDGD	
CCn1cnc(C(=O)NNC(=O)CCOc2ccccc2)c1	824694635	PVRSZSGTYSPTSD-UHFFFAOYSA-N	302.334	1.133	50	20	DDGD	
CCN(CCO)NC(=O)c1c[nH]nc1-c1c(F)cccc1F	823869166	BTCKSRIDVDGHKE-UHFFFAOYSA-N	310.304	1.314	50	20	DDGD	
CN1CCN(C)[C@H](CNC(=O)/C(C#N)=C/c2ccc(F)cc2)C1	490879201	QRINVSPOOHUZOT-SCZPIIQISA-N	316.380	1.095	50	20	DDGD	
COCCN(C)NC(=O)c1c[nH]ccc1=Nc1ccccc1	908115638	RVKLLLARRROGKZ-UHFFFAOYSA-N	300.362	1.470	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1c2ccccc2N(C)CC[C@H]1C	828338994	VQQHPKHWBRUSFZ-CYBMUJFWSA-N	318.421	1.525	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)[C@@H](O)c1cccnc1)c1ccccc1	732291217	CDKVSRLEMRFDHY-CABCVRRESA-N	313.357	1.456	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CC[C@@H](c3ccncc3)C2)cn1	491046992	IAYHXVICXGWKNB-HXIRNQQJSA-N	307.357	1.738	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)NCc1cocn1	730829641	GUECZLNTUNSSKV-UHFFFAOYSA-N	308.725	1.401	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NC[C@H]1CC1(C)C	732825910	AMGARMDIKQVGJG-GFCCVEGCSA-N	305.378	1.614	50	20	DDGD	
CNc1cc(C(=O)NNc2nccc(OC)n2)cc(Cl)n1	731877698	OGLSFQICGNPTAB-UHFFFAOYSA-N	308.729	1.332	50	20	DDGD	
COCCOc1ccc(CNC(=O)NNC(=O)C2CCC2)cc1	732240972	PXHZMAHMVQXXGM-UHFFFAOYSA-N	321.377	1.342	50	20	DDGD	
CN(C(=O)c1ccc(B(O)O)cc1)[C@@H]1CCC[C@H]1C(C)(C)C	584998862	BJUQUOGMZXXHGS-HUUCEWRRSA-N	303.211	1.653	50	20	DDGD	
CCN(CCSC)CC(=O)NNC(=O)c1cccc(C#N)c1	830999124	DZMBCGQWSSOTQE-UHFFFAOYSA-N	320.418	1.004	50	20	DDGD	
CC1(C)C[C@H](CNC(=O)NNc2cncc(Cl)n2)CCO1	838733049	BGJMIUDETJRLAT-SECBINFHSA-N	313.789	1.961	50	20	DDGD	
C[C@@H]1Oc2cc(F)ccc2[C@H]1NCc1ccc(B(O)O)cc1F	585040899	RIGTTWQMZWXNMN-FVMDXXJSSA-N	319.116	1.256	50	20	DDGD	
CC(C)OCc1cccc(CNCc2ccc(B(O)O)cc2)c1	585017353	VDVKZCLROODNIM-UHFFFAOYSA-N	313.206	1.581	50	20	DDGD	
Cc1cccc(Cl)c1NNC(=O)CCn1ncn(C)c1=O	836934155	BXPUVMNPGGOBQK-UHFFFAOYSA-N	309.757	1.077	50	20	DDGD	
Cc1cn2c(C=NNC(=O)c3c[nH]nc3C)c(C)nc2s1	735411746	SKLAPSUMEGCXBQ-UHFFFAOYSA-N	302.363	1.808	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc2c(c1)CCO2	831217567	BXYNYUPZFGKWHL-BXKDBHETSA-N	305.334	1.199	50	20	DDGD	
CN(C)C(=O)c1cccc(C=NNC(=O)[C@@H]2CCCCO2)c1	901249498	COEKIKFFEKUCMH-AWEZNQCLSA-N	303.362	1.408	50	20	DDGD	
C[C@@H]1C[C@H]1c1ccc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)o1	732769054	AEFNUNBYDHSHCI-JFGNBEQYSA-N	310.375	1.288	50	20	DDGD	
COCCNC(=S)NNC(=O)NCc1ccc(Cl)cc1	732929278	RSCHPEKBZDXGID-UHFFFAOYSA-N	316.814	1.165	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cccc(NC(=O)N(C)C)c1	739706770	QJTTWITZSACGQW-UHFFFAOYSA-N	307.354	1.134	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CC[C@H]2CC[C@]21c1ccccc1	585010350	OIKNAGXMCYOKEQ-APWZRJJASA-N	321.185	1.518	50	20	DDGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CC[C@@](F)(C(=O)O)C1	833061361	AJTBDQKGNQBHME-VQEQIULKSA-N	305.265	1.958	50	20	DDGD	
C[C@H]1CN(C[C@H](C)C(=O)NN=Cc2cccnc2)C[C@@H](C)O1	916370724	FABPYYGFMSLBMP-MELADBBJSA-N	304.394	1.277	50	20	DDGD	
COCCn1cc(C=NNC(=O)c2ccc(C)cc2O)cn1	743439509	ZCXLROKETKRDQG-UHFFFAOYSA-N	302.334	1.307	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)[C@H](C)c1ccccc1	746373154	ZAVJZIQPQRPJLO-JTQLQIEISA-N	314.345	1.726	50	20	DDGD	
CN(C)c1nccc(NNC(=O)c2cnn(-c3ccccc3)c2)n1	740112457	JNCMVLAKNZSKAX-UHFFFAOYSA-N	323.360	1.485	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1	843645684	RWKFKRQAOMNUFB-WTDIUWLJSA-N	306.337	1.502	50	20	DDGD	
O=C(NNC(=O)c1ccc(F)c(Br)c1)NC1CC1	742585726	NCBXFAXOZOFDOY-UHFFFAOYSA-N	316.130	1.695	50	20	DDGD	
C=C[C@@H](C)ONC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	845638386	GQUNASCLAWTEHO-YPMHNXCESA-N	321.377	1.907	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C(=O)OC(C)(C)C)C(C)C)ncn1	844134093	HWRYAUSKPFJUCR-GFCCVEGCSA-N	308.382	1.842	50	20	DDGD	
O=C(NNS(=O)(=O)c1cccc2c1OCCC2)C1CCC1	844654344	QFJSOOZBOFLVSR-UHFFFAOYSA-N	310.375	1.121	50	20	DDGD	
CNS(=O)(=O)c1cccc(C(C)=NNC(=O)C2CCCC2)c1	915960806	SPYACDNZQMMWAU-UHFFFAOYSA-N	323.418	1.625	50	20	DDGD	
COc1ccnc(NNC(=O)NCc2nnc(C3CC3)s2)n1	840470607	OZWMSYWBZFRGMC-UHFFFAOYSA-N	321.366	1.040	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(OC)c(Cl)c1	748252485	FQOFYZIEDYSSHP-SNVBAGLBSA-N	314.769	1.850	50	20	DDGD	
COc1ccc(-n2ccc(C(=O)NNC(=O)CC(C)C)n2)cc1	919809438	UEKUKBJGYUDGFX-UHFFFAOYSA-N	316.361	1.688	50	20	DDGD	
CC(=O)Nc1ccc(O)c(C(C)=NNC(=O)c2ccccn2)c1	915933258	PLNLNPZGPGSAGO-UHFFFAOYSA-N	312.329	1.900	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cnn(-c2ccc(F)cc2)c1	843796576	REZASAJYIJIJAG-UHFFFAOYSA-N	302.309	1.573	50	20	DDGD	
COC(=O)/C=C\c1ccc(C=NNC(=O)CC(F)(F)F)o1	848403697	YLNZFCITDLIMHQ-DNYZWEOXSA-N	304.224	1.868	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H](c1c(F)cccc1Cl)N(C)C	910162801	KSJCBLCLEVJEPO-TVQRCGJNSA-N	317.792	1.426	50	20	DDGD	
CC(=O)N[C@@H](C)C(=O)NNc1ccnc2cc(Cl)ccc12	913187789	AZKQSRZOMNCWCO-QMMMGPOBSA-N	306.753	1.856	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1F	843653989	GLIGDTXFZDZEDJ-PWSUYJOCSA-N	324.352	1.339	50	20	DDGD	
CC1(C)CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC1	744396859	UHRDJKPNMXTYAZ-UHFFFAOYSA-N	314.389	1.441	50	20	DDGD	
O=C(NNS(=O)(=O)c1cc(F)c(F)c(F)c1)C1CCCC1	741647455	DABPIYCCDUNHMW-UHFFFAOYSA-N	322.308	1.604	50	20	DDGD	
NC(=O)C(=O)NN=Cc1cc(Cl)ccc1OC1CCCC1	743421152	PYOVEWMYMCVNJR-UHFFFAOYSA-N	309.753	1.597	50	20	DDGD	
COc1ncc(C(=O)NNc2cccc([N+](=O)[O-])c2C)cn1	748666135	JSPANIDOPNFHEE-UHFFFAOYSA-N	303.278	1.459	50	20	DDGD	
C[C@H](Cc1ccccc1)NC(=S)NNC(=O)[C@@H]1CCO[C@@H]1C	843276512	CEOABEIKQCOCRO-YRGRVCCFSA-N	321.446	1.538	50	20	DDGD	
C=CCCCC(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1	748225680	JMWXJHFHBCXAIM-UHFFFAOYSA-N	315.329	1.219	50	20	DDGD	
O=C(NCC1CCC1)NNc1ncc(Br)cn1	847289389	LNTNXMSJEGEKIP-UHFFFAOYSA-N	300.160	1.665	50	20	DDGD	
CC(=NNC(=O)N(C)C)c1ccc(N2CCOCC2)c(F)c1	745605710	YHEBEWUDEPMPJB-UHFFFAOYSA-N	308.357	1.658	50	20	DDGD	
COCCn1cc(C=NNC(=O)c2ccc3ccccc3n2)cn1	743419707	YBTWMXMQRKVEFX-UHFFFAOYSA-N	323.356	1.842	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cn1	848353148	YGTWBXQWJQKNNN-BNSCMJDNSA-N	313.405	1.460	50	20	DDGD	
CC(C)[C@H](N)CNC(=O)NNC(=O)c1cc2ccccc2o1	841943908	QRRAWJUZGAJGJL-LLVKDONJSA-N	304.350	1.360	50	20	DDGD	
COc1cc(C=NNC(=O)NC2CCCC2)cc(OC)c1O	743532216	QZGKAMVEFJEKGR-UHFFFAOYSA-N	307.350	1.985	50	20	DDGD	
CC(=NNC(=O)c1cccn1C)c1ccc([S@](C)=O)cc1	746368633	MSBGIKAZMDMHAC-NRFANRHFSA-N	303.387	1.917	50	20	DDGD	
O=C(NNc1nc(-c2cccnc2)no1)c1ccncc1Cl	744513676	VVGZSCMXCRUESF-UHFFFAOYSA-N	316.708	1.937	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=Cc1ccc(-n2ccnc2)cc1	748257789	KSVVCRHLSIPXFX-CYBMUJFWSA-N	316.361	1.374	50	20	DDGD	
CCOc1cc(C=NNC(=O)[C@H](C)OCCOC)ccc1O	748256340	AJDRTLFFEMYXNP-NSHDSACASA-N	310.350	1.293	50	20	DDGD	
Cn1c(NNC(=O)C[C@H]2CCCC(=O)N2)nc2ccccc21	848380487	HOOHLTWMGDAMSH-SNVBAGLBSA-N	301.350	1.075	50	20	DDGD	
O=C(NNC(=O)c1ncccn1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12	841594018	PHHDDBHGBCVILK-NAWOPXAZSA-N	315.377	1.245	50	20	DDGD	
C[C@@H]1COC[C@@H]1NC(=O)NNC(=O)c1c[nH]c2ccccc12	925992486	RJBVVZKQEVQJAT-RNCFNFMXSA-N	302.334	1.147	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNC(=O)c2ncccn2)cc1	841350609	OENGQASTTAWCIO-LLVKDONJSA-N	314.345	1.125	50	20	DDGD	
C[S@](=O)C1(CNC(=O)NC[C@@]2(C)C[C@H]2Br)CC1	856853568	BOUIUMUVXRYSSA-PGDRKKNUSA-N	323.256	1.370	50	20	DDGD	
CC1(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)CCCCC1	757740615	CAJGICSKPPJECP-CQSZACIVSA-N	317.455	1.338	50	20	DDGD	
O=C(CCCn1ccnc1)NNC(=O)c1ccc(Cl)cc1	921054942	FDIYDHUFANXZGN-UHFFFAOYSA-N	306.753	1.778	50	20	DDGD	
Cc1ccc(-n2[nH]c(C(=O)NNc3cccnn3)cc2=O)cc1	753077687	HXUVDYGLNQRZIG-UHFFFAOYSA-N	310.317	1.021	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1ncc(F)cc1F)C1CC1	855099687	LEXLSCPBGQYOEA-LURJTMIESA-N	300.334	1.267	50	20	DDGD	
CC[C@H]1C[C@H](CC(=O)NNC(=O)c2cccc(F)n2)CCO1	856423330	RRENXUNICOKRON-MNOVXSKESA-N	309.341	1.577	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccccc2C)c2c(C)n[nH]c2n1	750662479	FCIJZHOGDXKTDT-UHFFFAOYSA-N	323.356	1.958	50	20	DDGD	
COCCCNC(=O)NN=Cc1cc2c(cc1OC)C[C@H](C)O2	920830484	YADGFTSWRRIPTH-NSHDSACASA-N	321.377	1.688	50	20	DDGD	
CC(C)N1CC(=NNC(=O)CNC(=O)c2cccs2)[C@H](C)C1	754262062	YJEIGQBPNJMVRW-LLVKDONJSA-N	322.434	1.310	50	20	DDGD	
Cc1nc(N)nc(C)c1C(=O)NC[C@@]1(C)C[C@H]1Br	857734418	STGVCYXCGWICKI-PRHODGIISA-N	313.199	1.579	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2cc(Cl)n(C)n2)n1	857541464	SQPMELKMBXJUEH-UHFFFAOYSA-N	301.137	1.582	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@@H]1CCn2cncc2C1	750913307	GLGOROUQINRXEJ-SECBINFHSA-N	314.374	1.594	50	20	DDGD	
CN1CCC[C@H](NC(=O)NC[C@@]2(C)C[C@@H]2Br)C1=O	856840261	OTBRCLIJGAFJMK-HOTUBEGUSA-N	318.215	1.080	50	20	DDGD	
COCCn1ccc2ccc(NC(=O)NNC(=O)COC)cc21	757862537	KDWJHDABLOULFJ-UHFFFAOYSA-N	320.349	1.087	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccccc1OCC#N)C1CC1	855101490	ADLFXZPXFPGZOL-SNVBAGLBSA-N	318.402	1.496	50	20	DDGD	
O=C(NN=Cc1cnc2ccccn12)[C@H]1COc2ccccc2O1	755484421	NFICDHCZISQIII-OAHLLOKOSA-N	322.324	1.624	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cn(CC(F)F)nc2C)n1	929714414	AIGNOSYKHWRHAW-UHFFFAOYSA-N	310.308	1.620	50	20	DDGD	
CCCC[C@@H](C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)C(C)C	857573193	WIEXMCRUHLCILE-UONOGXRCSA-N	318.483	1.941	50	20	DDGD	
CSC[C@@H](C)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855831092	FSAXYPIOWDPCOJ-SNVBAGLBSA-N	317.455	1.075	50	20	DDGD	
CN1CCN(C(=O)[C@@H](Br)C(C)(C)C)CCC1=O	855915835	IOMXSPMGQXCKAO-SNVBAGLBSA-N	305.216	1.487	50	20	DDGD	
CCC[C@@H]1CNCCN1C(=O)NC[C@]1(C)C[C@@H]1Br	857105988	WLRRBRXFRPGKKY-MDZLAQPJSA-N	318.259	1.943	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cnc2n1CCCCC2	857008253	FQBMFWPVSMKYMA-UHFFFAOYSA-N	304.272	1.323	50	20	DDGD	
C[C@@]1(CNC(=O)NCCN2CCCCC2)C[C@@H]1Br	856717901	HCBYJYYTZUXQQY-AAEUAGOBSA-N	318.259	1.945	50	20	DDGD	
CNC(=S)N(C)NC(=O)c1ccc(NC(=O)C(C)(C)C)nc1	854921852	PTTQCTWBTMUMBF-UHFFFAOYSA-N	323.422	1.147	50	20	DDGD	
C[C@@]1(CNC(=O)C2(O)CCSCC2)C[C@H]1Br	857734730	UUWYHYNSFCHKTA-SCZZXKLOSA-N	308.241	1.534	50	20	DDGD	
CCOC(=O)C[C@@H](O)COC(=O)/C(C#N)=C/c1ccccc1	859660335	OPPZMNLCKDMNET-MAUPQMMJSA-N	303.314	1.451	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1F	855621597	YQLRTWYUJMPXQT-ZDUSSCGKSA-N	306.297	1.275	50	20	DDGD	
CC(C)C(=O)NCCNC(=O)NC[C@@]1(C)C[C@H]1Br	856821121	JYAKEEUAACKZLV-BXKDBHETSA-N	320.231	1.231	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@@H]2C1	852132482	WJECFZVFQBIQRJ-ZIAGYGMSSA-N	303.362	1.286	50	20	DDGD	
CC(C)C[C@@H](C)OCCC(=O)NNC(=O)c1cccc(F)n1	856423355	SEKLOAFCHTXYRX-LLVKDONJSA-N	311.357	1.823	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)Nc1nc2n(n1)CCCC2	856873385	DJHFCUQYZOIPQD-UHFFFAOYSA-N	308.733	1.206	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2cccc3nc(O)oc23)n1	753464160	MMSYXGSKMIAWLT-UHFFFAOYSA-N	320.696	1.316	50	20	DDGD	
CCc1cccc(CC)c1NC(=O)NNC(=O)[C@H]1CCC(=O)N1	860259607	BNIHLZNBIMFVLI-GFCCVEGCSA-N	318.377	1.243	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1cncc(Cl)c1	768274338	QSVRWJJBWVKCHD-UHFFFAOYSA-N	306.775	1.028	50	20	DDGD	
O=C(CN1C[C@H]2CCC[C@H]1C2)NNC(=O)c1cccc(Cl)c1	934377176	GIQVOZDURXUTAQ-FZMZJTMJSA-N	321.808	1.975	50	20	DDGD	
C[C@H](CO)C1CCN(S(=O)(=O)CC(C)(C)CCl)CC1	867463127	GMLHXKHMRNPDBO-LLVKDONJSA-N	311.875	1.922	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)[C@H]2CC(=O)N(C3CC3)C2)c1	768711325	LKADSZKWMSGJHC-VIFPVBQESA-N	319.752	1.061	50	20	DDGD	
COCCOc1ccc(C(=O)NN[C@H](C)C(F)(F)F)cc1	862313455	HPPILGACNOKGPL-SECBINFHSA-N	306.284	1.897	50	20	DDGD	
Cc1nnc(NNC(=O)[C@H](C)OC2CCCCCC2)nc1O	761020332	HVPWEIPJBSYNNO-JTQLQIEISA-N	309.370	1.457	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)COc1ccc(F)cc1)c1ccc[nH]1	760863544	ANHBACPLEMHEKN-JTQLQIEISA-N	320.324	1.624	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2cn(C)nc2-c2cccs2)cn1	769587929	ZYDTZUVNHXGDHD-UHFFFAOYSA-N	314.374	1.646	50	20	DDGD	
CN(C)c1ccc(C(=O)NNCC(F)(F)C(F)(F)F)cn1	863093028	UKKRTNGQOGXLOF-UHFFFAOYSA-N	312.242	1.580	50	20	DDGD	
CC(=O)N1CCC[C@H](C(=O)NNc2nc3ccccc3[nH]2)C1	768502464	ZNCIEMMTKIPRGB-NSHDSACASA-N	301.350	1.265	50	20	DDGD	
O=C(C[C@@H]1COC(=O)C1)NNc1cccc(C(F)(F)F)n1	768144635	HTBIZEZWPOUYCO-ZETCQYMHSA-N	303.240	1.497	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1ccc(C2CC2)nn1	764676594	BNSFVAQHUPDIQN-UHFFFAOYSA-N	301.310	1.301	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)c1ccccn1)c1ccccc1F	760035510	ABOZKZWBJWKVKF-MRXNPFEDSA-N	317.320	1.544	50	20	DDGD	
Cc1scc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c1C	872388607	LJBXANYHQVQPRS-KGLIPLIRSA-N	307.419	1.678	50	20	DDGD	
COCCOCC(=O)NN=Cc1c(O)ccc(Cl)c1F	872401328	PTNDIMBLRLCSHW-UHFFFAOYSA-N	304.705	1.298	50	20	DDGD	
O=C(NNC(=O)c1ccc(-c2ccco2)s1)C(=O)NC1CC1	764606778	HHMYXZGPQOQKIU-UHFFFAOYSA-N	319.342	1.048	50	20	DDGD	
COc1ccc2c(c1)C[C@H](C(=O)NNc1ccc(F)cn1)CO2	874651309	MDRUJBQXZFUUOK-NSHDSACASA-N	317.320	1.924	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)C1(C(=O)NC2CC2)CC1	772874955	JMLFNPMJIJYFFK-UHFFFAOYSA-N	303.366	1.102	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1c(F)cc(F)cc1F	772157817	GMKXUTNTKCJRHA-ZCFIWIBFSA-N	318.251	1.207	50	20	DDGD	
CC(C)c1nccnc1NNC(=O)[C@H]1CCc2nccn2C1	772876176	HLSVIUIROUDVDJ-NSHDSACASA-N	300.366	1.502	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)NCc1ccc2c(c1)COC2	770414596	JIUVRRLFRSGQIL-UHFFFAOYSA-N	317.267	1.500	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)COc1cc(C)cc(C)c1	771870544	NKTYUFCFKSZPAH-GFCCVEGCSA-N	322.361	1.171	50	20	DDGD	
CC[C@@H](CO)C(=O)NNC(=O)COc1cc(C)ccc1C(C)C	779717601	TZUNQVSRZAQTJO-ZDUSSCGKSA-N	322.405	1.663	50	20	DDGD	
C[C@]1(CNC(=O)N2C[C@H]3COC[C@H]3C2)C[C@@H]1Br	873078468	KFGFLUCEXUVVMG-MIZYBKAJSA-N	303.200	1.448	50	20	DDGD	
CN(C)c1ccncc1C=NNC(=O)Cn1cnc2ccccc21	776179368	RSPHXDWIYCQKHV-UHFFFAOYSA-N	322.372	1.648	50	20	DDGD	
CC(=NNC(=O)Cn1cnc2ccccc21)c1cnn(C)c1C	778538840	RQLJNQAOMOXHRW-UHFFFAOYSA-N	310.361	1.619	50	20	DDGD	
C[C@]1(CNC(=O)[C@@H]2Cc3ccccc3CN2)C[C@H]1Br	1118810584	VNWUWQACGAELRD-GZBFAFLISA-N	323.234	1.991	50	20	DDGD	
CN(C)N(C(=O)CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1	770663566	PMFKBYPKXQMGRC-SECBINFHSA-N	316.345	1.211	50	20	DDGD	
Cc1cc(=NNC(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cc[nH]1	875144525	QIZKQZMBQUFYMJ-OCCSQVGLSA-N	305.426	1.558	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N[C@H](C)C(C)(C)c1ccccc1	775323124	ZWVRIEJPKUENBY-QWHCGFSZSA-N	305.422	1.888	50	20	DDGD	
CC[C@H]1CCCC[C@H]1CNC(=O)NNC(=O)c1cccnn1	883673168	YDBMNRKJDGNHJL-RYUDHWBXSA-N	305.382	1.637	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(OC(C)C)cc1	771846957	OCQLHJAIJSPFLQ-NSHDSACASA-N	322.361	1.577	50	20	DDGD	
Cc1nn(C)c(C(=O)OC[C@@H](C)CBr)c1[N+](=O)[O-]	770360705	UHJJUJWBZHXOCM-LURJTMIESA-N	320.143	1.825	50	20	DDGD	
C#CCOc1cc(F)ccc1NC(=O)NNc1ncccn1	775641213	MKWKIVCCPBBAHV-UHFFFAOYSA-N	301.281	1.776	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1	773672803	KTHDZZIDCHCRJQ-QLFBSQMISA-N	322.453	1.581	50	20	DDGD	
C#CCCCC(=O)NNC(=O)CCc1ccc(OC)c(OC)c1	887139236	GSPVUHKACPUAAA-UHFFFAOYSA-N	318.373	1.587	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(Cl)cc1F)[C@@H](C)S(C)(=O)=O	885106666	FDDHOFGPKDMHBY-JGVFFNPUSA-N	322.789	1.991	50	20	DDGD	
O=C(NC[C@H]1CCC(F)(F)C1)NNC(=O)C1CCOCC1	883620483	INBBFSDRETUAMG-VIFPVBQESA-N	305.325	1.179	50	20	DDGD	
CCOCCC=NNC(=O)c1nn(C)c(=O)c2ccccc12	788416782	YSOSGUXKWJEAGS-UHFFFAOYSA-N	302.334	1.076	50	20	DDGD	
COc1ccc(NNC(=O)NC[C@@H]2CC2(Cl)Cl)nc1	780962816	VEWCTUNKRZOSNB-ZETCQYMHSA-N	305.165	1.910	50	20	DDGD	
CC(C)(C)C(=O)NCC(=O)NNc1c(F)cc(F)cc1F	885148586	CSBOEIUSRBIPLF-UHFFFAOYSA-N	303.284	1.709	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)[C@]1(C)CCCO1	782113939	GCQOKPWYVYFVKA-HOCLYGCPSA-N	304.346	1.888	50	20	DDGD	
COCCn1cc(C(=O)NNc2cc(Cl)ccc2C)nn1	885128564	VGDNMSWUFICHCF-UHFFFAOYSA-N	309.757	1.643	50	20	DDGD	
C#CCCCC(=O)NNC(=O)C1=Cc2cc(F)ccc2OC1	887145810	SFPPWVUEJBJWPF-UHFFFAOYSA-N	302.305	1.552	50	20	DDGD	
CCNC(=O)NNC(=O)c1ccc(OC)cc1OC(F)F	789744592	XJGYBUUSILIBNS-UHFFFAOYSA-N	303.265	1.261	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@H](CCO)c1ccccc1	881927926	HKIAAVUWOJYMTR-ZDUSSCGKSA-N	305.827	1.701	50	20	DDGD	
COc1ccc(NNC(=O)C(=O)Nc2ccccc2OC)cc1	783021599	GLXVPUWHDGJYQG-UHFFFAOYSA-N	315.329	1.786	50	20	DDGD	
CO[C@@]1(C)C[C@@H](NS(=O)(=O)CBr)C1(C)C	782461357	QDPTUUZKEUYMLD-APPZFPTMSA-N	300.218	1.462	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccc(N2CCCCCC2)cc1	894135666	ZBJHAXFVWGLPKW-UHFFFAOYSA-N	318.421	1.390	50	20	DDGD	
C[C@](O)(CC(=O)NNC(=O)Cc1ccncc1)c1ccccc1	780960537	FORUNKIYCCYLHO-KRWDZBQOSA-N	313.357	1.069	50	20	DDGD	
O=C(NNC(=O)[C@H]1CC[C@@H]2CCCCN21)NC1CCCCC1	899940530	PLBKOHOXKQWLBQ-UONOGXRCSA-N	308.426	1.666	50	20	DDGD	
Cn1c(NNC(=O)[C@H]2CCN2C(C)(C)C)nc2ccccc21	897738773	ABVHHDMXEGFVBQ-CYBMUJFWSA-N	301.394	1.889	50	20	DDGD	
O=C(NN=CCC1CCCCCC1)[C@@H]1CCS(=O)(=O)C1	799106542	ITEKXDYKAXZPSI-CYBMUJFWSA-N	300.424	1.884	50	20	DDGD	
Cc1oc(C#N)cc1C(=O)NNC(=O)COCc1ccccc1	797878795	FYBQAGULYGGHER-UHFFFAOYSA-N	313.313	1.438	50	20	DDGD	
CCOCCC1(C(=O)NNC(=O)c2cccnn2)CCCC1	893681115	HOJVBHKJBOCTGI-UHFFFAOYSA-N	306.366	1.225	50	20	DDGD	
Cc1nnc(NNC(=O)CCSCc2ccccc2)nc1O	792633083	WZDIHCXHTOGUKT-UHFFFAOYSA-N	319.390	1.652	50	20	DDGD	
CO[C@H]1CCC[C@@H]1CNC(=O)NNc1nc2ccccn2n1	790449399	AXWNTABJSJRQPV-MNOVXSKESA-N	304.354	1.171	50	20	DDGD	
CC(C)[C@@H]1CCCC(=NNC(=O)[C@H]2CCS(=O)(=O)C2)C1	794487906	FVWCFHRQVMVDMM-NEPJUHHUSA-N	300.424	1.740	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCOCc2ccccc21	791575328	NXDUYUSBKJWEDA-UHFFFAOYSA-N	305.378	1.217	50	20	DDGD	
COc1cccc(C=NNC(=O)Cc2cn3ccccc3n2)n1	790167269	PMHWMUGYIURBJJ-UHFFFAOYSA-N	309.329	1.431	50	20	DDGD	
CN(C)S(=O)(=O)c1ccccc1NNC(=O)[C@@H]1C[C@@H]1C1CC1	795177196	JXFAOMNMJOXMSS-VXGBXAGGSA-N	323.418	1.426	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@@H]2CCC[C@H]2OC)cc1	1319799378	UXBCRLXLRCLGQE-GXTWGEPZSA-N	321.377	1.454	50	20	DDGD	
C[C@H](CC(=O)OC(C)(C)C)NC(=O)NNC(=O)C1CCCC1	1320735583	QVAQZUNLUMHFAU-SNVBAGLBSA-N	313.398	1.627	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)NCCCCN)cc2C1	1325370356	FYEJGHQAIDGVFV-SNVBAGLBSA-N	324.450	1.556	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)c2ccccc2Cl)cn1	1324191903	RPWBXIXVWXWKPX-UHFFFAOYSA-N	303.753	1.960	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)C1(O)Cc2ccccc2C1	1324005166	SXBFZIRTQBOPRK-UHFFFAOYSA-N	303.749	1.130	50	20	DDGD	
COc1ccc(C=NNC(=O)C2CCCC2)cc1OCC(N)=O	1322698221	INAFXGMGALCZCC-UHFFFAOYSA-N	319.361	1.200	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)c2nc(C)cs2)nc1C	1323529920	NKZGUQVXCMCYCP-UHFFFAOYSA-N	321.362	1.484	50	20	DDGD	
COc1cccc2cc(CNC(=O)NNC(=O)C(C)C)oc12	1251577418	PQPIMSOPJRTUIY-UHFFFAOYSA-N	305.334	1.928	50	20	DDGD	
CCCNC(=O)[C@H](C)NC(=O)[C@@H](Br)C(C)(C)C	1336706858	YNAGZANRZQUKNM-DTWKUNHWSA-N	307.232	1.827	50	20	DDGD	
C[C@@H]1CN(C(=O)OC(C)(C)C)CC1=NNC(=O)c1cccnn1	1330907967	KJKNKUSZTNWOAL-SNVBAGLBSA-N	319.365	1.449	50	20	DDGD	
C=C(C)[C@H](CC(=O)NNC(=O)c1ccc(OC)cc1)OCC	1341133939	RRXXDORURNENGJ-AWEZNQCLSA-N	306.362	1.828	50	20	DDGD	
COC(=O)[C@](C)(NS(=O)(=O)CCCCl)c1ccccc1	1260060285	MRNLDLCEYKDYIA-CYBMUJFWSA-N	319.810	1.623	50	20	DDGD	
Cc1cc(Cl)ncc1NC(=O)C(=O)NNc1ncncc1F	1261242230	MJDVTGMOEDBSGI-UHFFFAOYSA-N	324.703	1.054	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2ccnnc2C)c1	1352094859	BZJIGGGMLCHMQQ-UHFFFAOYSA-N	301.375	1.725	50	20	DDGD	
CC(C)(C(=O)O)C(=O)NNC(=O)NCc1ccc(Cl)cc1	1602836844	PVNJMOICTUSDDG-UHFFFAOYSA-N	313.741	1.281	50	20	DDGD	
Cc1c(NNC(=O)COCC(F)(F)F)cccc1C(=O)O	1607553539	UGIBFRWRHQLVMQ-UHFFFAOYSA-N	306.240	1.715	50	20	DDGD	
O=C(NNC(=O)[C@@]1(C(=O)O)C[C@@H]1c1ccccc1)C1CCCC1	1601552724	FTYNWWYAPHFARP-CXAGYDPISA-N	316.357	1.583	50	20	DDGD	
O=C(NNc1cccc(F)c1C(=O)O)c1cnn(CC2CC2)c1	1601561260	XKZOTDBADQGJAK-UHFFFAOYSA-N	318.308	1.887	50	20	DDGD	
CCO/C=C(/C#N)c1nnc(-c2cccc(-c3nn[nH]n3)c2)o1	1609239832	XRNVFXXYSCFRJY-FLIBITNWSA-N	309.289	1.818	50	20	DDGD	
O=C(CCc1ccco1)NN[C@@H](Cc1ccc(F)cc1)C(=O)O	1601293175	WCBLFIKHCKEYSD-AWEZNQCLSA-N	320.320	1.668	50	20	DDGD	
O=C(O)C(=O)NN=C1CCN(C2CC2)[C@H](c2ccccc2)C1	1601637690	IHQKOUJPGAQVRP-AWEZNQCLSA-N	301.346	1.543	50	20	DDGD	
O=C(O)c1coc(C(=O)NNC(=O)c2ccc(Cl)nc2)c1	1602550535	IESGURQKZOMFBM-UHFFFAOYSA-N	309.665	1.101	50	20	DDGD	
Cc1ccoc1CC(=O)N(c1nc(CC(=O)O)cs1)N(C)C	1600606937	RMYCOSBAUHSNTR-UHFFFAOYSA-N	323.374	1.724	50	20	DDGD	
COC[C@](C)(CC(=O)O)NS(=O)(=O)CC(C)(C)CCl	1606786428	YUOFQDABLWLDOT-NSHDSACASA-N	315.819	1.051	50	20	DDGD	
Cc1ccc(C(=O)NN=c2cc[nH]cc2Cl)cc1C(=O)O	1607732171	SZVDJUJSSRFQFH-UHFFFAOYSA-N	305.721	1.920	50	20	DDGD	
O=C(O)c1ccccc1NNC(=O)c1cccc2c1OCCO2	1610852298	NMBQKUQKTAVCPG-UHFFFAOYSA-N	314.297	1.913	50	20	DDGD	
CC[C@@H](NC)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	1577172396	XRVXPOSWVJNZEE-BXKDBHETSA-N	313.785	1.253	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)C2CCNCC2)c(C(C)C)n1	1579663932	QAYWKYVCUUTGBY-UHFFFAOYSA-N	304.394	1.274	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)COC)C1	1842688880	RNANYHGDNAPHMW-LLVKDONJSA-N	302.802	1.244	50	20	DDGD	
O=C(c1ccns1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843363022	PGQFPMNMJNNTHQ-VIFPVBQESA-N	317.773	1.495	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NN=C1CC[C@H](C(=O)O)C1	1593651045	GLXFKZSEFBXZDH-ZJUUUORDSA-N	308.309	1.950	50	20	DDGD	
COc1ccccc1NNC(=O)[C@@H]1CO[C@@H](CCC(=O)O)C1	1594145952	GSEBHJXADLDSLC-QWRGUYRKSA-N	308.334	1.408	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl)c1cnco1	1796804359	KKJXCWXCXFHCNS-DKIAZLNASA-N	315.732	1.461	50	20	DDGD	
C#CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl	1796811852	XFBPFGATKULASX-LSCVPOLPSA-N	300.761	1.572	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1cc(F)ccc1Br	14800769	VKBADPIQDGFYFZ-UHFFFAOYSA-N	301.115	1.759	50	20	DDGD	
Cc1ccc(C[C@@H](C)NC(=O)NNC(=O)[C@@H]2CCCO2)s1	162145593	MROKYGJZYPLFTO-SKDRFNHKSA-N	311.407	1.497	50	20	DDGD	
O=C(CC1CCCCCC1)NNC(=O)C(=O)Nc1ccccn1	151892981	LRFCEGCIMAUBAJ-UHFFFAOYSA-N	318.377	1.528	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cccc3ccc(C)nc23)[nH]n1	153244505	GVIURSFWVFHAMM-UHFFFAOYSA-N	309.329	1.650	50	20	DDGD	
CCCc1cc(NC(=O)C(=O)NNc2ccccc2F)n(C)n1	155599581	JYFVZWQQRSEENF-UHFFFAOYSA-N	319.340	1.594	50	20	DDGD	
Cc1ccc([C@@H](O)CNS(=O)(=O)CCCCCl)cc1	154313090	BXTRUNYAMPPCNI-ZDUSSCGKSA-N	305.827	1.967	50	20	DDGD	
C[C@](O)(CNS(=O)(=O)CCCCCl)c1ccsc1	154377164	JACWLSIBXUWCJH-NSHDSACASA-N	311.856	1.894	50	20	DDGD	
CCOc1cc(C(=O)OC(C)(C)C)c(OCC)cc1B(O)O	498051316	VBXVCKBGZWMBBU-UHFFFAOYSA-N	310.155	1.119	50	20	DDGD	
O=C1OCCN1[C@H]1CCN(C[C@H](CBr)C2CC2)C1	859351488	WIZHZAJZTINVLK-RYUDHWBXSA-N	317.227	1.934	50	20	DDGD	
COC(=O)CCN(C)S(=O)(=O)c1ccc(CCCl)cc1	42266675	HDNIDIQFHHNNSF-UHFFFAOYSA-N	319.810	1.652	50	20	DDGD	
C[C@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)CCl	830929744	ULNBRWDDEYQCLJ-MRVPVSSYSA-N	300.808	1.263	50	20	DDGD	
COc1ccccc1CNC(=O)NNC(=O)c1ccc(C#N)cc1	57980360	DXSGHWRZHOOOFH-UHFFFAOYSA-N	324.340	1.711	50	20	DDGD	
Cn1cc(C(=O)NNC(=S)Nc2cccc(Cl)c2)cn1	8248295	NSAJNTOOIASONI-UHFFFAOYSA-N	309.782	1.705	50	20	DDGD	
O=C(CSc1nc2ccccc2o1)NNC(=O)C1CCC1	8349994	RWQNMENAMPXLPZ-UHFFFAOYSA-N	305.359	1.867	50	20	DDGD	
COc1cc(CCC(=O)NNC(=O)NC2CC2)cc(OC)c1	64429257	UTCYCLCNLOMTFK-UHFFFAOYSA-N	307.350	1.129	50	20	DDGD	
O=C(NCc1ccncc1)NNC(=O)c1c[nH]c2ccccc12	9737376	WNBHPHQGIUPPHU-UHFFFAOYSA-N	309.329	1.707	50	20	DDGD	
C[C@H](OC[C@H]1CCCO1)C(=O)NNc1ccc(Cl)nn1	118497132	SZZWZWAHPDQSSV-DTWKUNHWSA-N	300.746	1.157	50	20	DDGD	
O=C(NNC(=O)c1ccnc(Cl)c1)c1cccc([N+](=O)[O-])c1	27339866	FRTUEEVVJXXYMB-UHFFFAOYSA-N	320.692	1.718	50	20	DDGD	
CCN(CCNC(=O)NNc1ccc(Cl)nn1)C(C)C	102573154	PWQJZZYANJXEGJ-UHFFFAOYSA-N	300.794	1.486	50	20	DDGD	
CC(=O)NNC(=O)COc1ccccc1OCc1ccccc1	107759356	YUCIUQINMIMOFI-UHFFFAOYSA-N	314.341	1.812	50	20	DDGD	
CCn1c(C)nnc1S[C@H](C)C(=O)NNC(=O)CC(C)C	110104129	AUWIZRSXHXDITL-SECBINFHSA-N	313.427	1.281	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)CSC(F)(F)F	65665374	GKALXGQXGHBDGU-UHFFFAOYSA-N	322.308	1.638	50	20	DDGD	
COCCN(C1CCCC1)S(=O)(=O)CBr	782411530	KXLKCBLBQZNMAD-UHFFFAOYSA-N	300.218	1.560	50	20	DDGD	
CN(C)CC(=O)NNc1c(F)cc(F)cc1Br	174259982	NYGVKQFXMNOCGF-UHFFFAOYSA-N	308.126	1.732	50	20	DDGD	
COCCOc1ccc(C(=O)NNc2nc(C)cc(C)n2)cc1	171952634	UEUHUBACJMQJCZ-UHFFFAOYSA-N	316.361	1.876	50	20	DDGD	
CCCCO[C@@H](C)C(=O)NNC(=O)Cc1ccccc1OC	65558125	BODNBBQXBAPCEL-LBPRGKRZSA-N	308.378	1.590	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@@H]1C[C@@]12CCc1ccccc12	173135331	NFHIJNIUGGZZNZ-QFBILLFUSA-N	321.380	1.676	50	20	DDGD	
CS[C@H]1CCC[C@H](NC(=O)NNC(=O)Cc2ccncc2)C1	176375704	LFDDUCGATDUTLX-STQMWFEESA-N	322.434	1.629	50	20	DDGD	
Cc1ncccc1C(=O)NNC(=O)Cc1nc2ccccc2n1C	170975977	GRYOUFICEDGLCK-UHFFFAOYSA-N	323.356	1.280	50	20	DDGD	
Cc1noc(C)c1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	20909542	TWCLZDOIYKNHPL-JTQLQIEISA-N	321.308	1.659	50	20	DDGD	
COc1nccnc1NNC(=O)c1nn(-c2ccccc2)cc1C	184491399	LGWVXSSSDMCCDL-UHFFFAOYSA-N	324.344	1.736	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)c2cc(C)nn2C)cc1	126053931	OHFQULKNGBZHQP-UHFFFAOYSA-N	318.402	1.590	50	20	DDGD	
O=C(NNc1ccc(C(F)(F)F)nn1)[C@@H]1CSCCS1	123746608	QLBOPGQBAKJVLW-LURJTMIESA-N	324.353	1.787	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnn(CC(C)C)c2)s1	182908316	AIMYWWYGBLXVLL-UHFFFAOYSA-N	306.391	1.984	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)c1cc2cc(F)ccc2s1	72749225	IQLWLPGFKCPTNY-UHFFFAOYSA-N	323.349	1.326	50	20	DDGD	
C[C@@H]1Cc2ccccc2N1CCNC(=O)NNC(=O)C(C)(C)C	129666544	OHRKKGAAOCNQIC-GFCCVEGCSA-N	318.421	1.814	50	20	DDGD	
C[C@H](CNC(=O)NNc1cccnn1)N1CCc2ccccc21	77343995	AWZUCHCVJJEHKK-GFCCVEGCSA-N	312.377	1.554	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cc(Cl)ccc1[N+](=O)[O-]	121507101	PUYZBDNXFNSSMK-JTQLQIEISA-N	313.697	1.188	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H]1COc2cc(C)c(C)cc21	184762434	RAVDHEFXMNUDAU-LBPRGKRZSA-N	305.403	1.461	50	20	DDGD	
Cn1nc(CCNC(=O)NNC(=O)C(C)(C)C)c2ccccc21	187889924	ZBGLSCSYLXNEGR-UHFFFAOYSA-N	317.393	1.492	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1c(O)cccc1F	185748014	HBNDFFZJWLTLKU-UHFFFAOYSA-N	304.277	1.615	50	20	DDGD	
COc1ccc(C(=O)NN(C)C(N)=O)cc1-c1ccccn1	182648512	FGOWAGJMJBUNFS-UHFFFAOYSA-N	300.318	1.413	50	20	DDGD	
Cc1nc(C)c(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)o1	72798304	JHSVGOWLGDEKSB-VIFPVBQESA-N	321.308	1.659	50	20	DDGD	
Cc1ccccc1[C@@H](CC(=O)NNc1ccncc1)NC(N)=O	180504280	YMNXATDCIFKMEY-CQSZACIVSA-N	313.361	1.633	50	20	DDGD	
Cc1cccc(N2N=C(C(=O)NNc3ncccn3)CCC2=O)c1	44715952	VTRMQANHEKGFBX-UHFFFAOYSA-N	324.344	1.411	50	20	DDGD	
CC(=O)N/C(=C\c1ccccc1)C(=O)NNC(=O)CC(C)(C)C	46578582	GNGZEIYSTKZLTO-UVTDQMKNSA-N	317.389	1.747	50	20	DDGD	
CN(CCC1CC1)CC(=O)NNC(=O)c1cccc(C#N)c1	135289169	HBEYXOGVHMZYNY-UHFFFAOYSA-N	300.362	1.051	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)C(=O)c1ccccc1	194030072	RTABXFYBJZDLRG-UHFFFAOYSA-N	307.309	1.812	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(-n3ccnc3)cc2)o1	84374229	BEUNWBXUMJKOMH-UHFFFAOYSA-N	310.313	1.849	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cccnc2-n2cccn2)o1	84380271	QSUJDJAPOAHXOZ-UHFFFAOYSA-N	311.301	1.244	50	20	DDGD	
Cc1cc(NNC(=O)C(=O)Nc2ccc(F)c(C)c2)ncn1	190142707	IABPZOFWCPULPO-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
Cc1ccccc1C(C)(C)C(=O)NNC(=O)C(=O)N1CCCC1	194788988	TWKGIGPMTMOWIQ-UHFFFAOYSA-N	317.389	1.042	50	20	DDGD	
C[C@@H]1CNCCN1S(=O)(=O)c1ccc(CCCCl)cc1	193354673	MGUPETGHLHTMRS-GFCCVEGCSA-N	316.854	1.840	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCCC2)NC1CCCCC1	190003781	CQEMKFWKCISOPF-UHFFFAOYSA-N	319.409	1.955	50	20	DDGD	
Cc1cc(C=NNC(=O)Cn2c(C)nc3ccccc32)n(C)n1	254868429	SRYMTGOEYSTZHE-UHFFFAOYSA-N	310.361	1.537	50	20	DDGD	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NNC(=O)c1cc(C)n[nH]1	268871992	UQYZFLHRRGWGRJ-QKCSRTOESA-N	322.409	1.853	50	20	DDGD	
CCn1cc(C(=O)NNC(=O)C(C)(C)c2ccccc2)cn1	265157287	ZDRUQXGMPOEIRC-UHFFFAOYSA-N	300.362	1.642	50	20	DDGD	
Cn1cccc1CNC(=O)NNC(=O)COCc1ccccc1	266507073	LOXWHQNOTHLNEO-UHFFFAOYSA-N	316.361	1.072	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)n1	268483183	PIBCDPMGMPNKBY-TUAOUCFPSA-N	321.381	1.377	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@@H]1CCOc2ccc(F)cc21	264821691	YARHYGFFNNOYML-GFCCVEGCSA-N	307.325	1.780	50	20	DDGD	
Cc1c(F)cccc1S(=O)(=O)NNC(=O)NC1CCCC1	266517002	ZAXJTQGEFLEYSC-UHFFFAOYSA-N	315.370	1.569	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NC[C@@H](C)COC	265539795	FKYHSVMCJNHJIP-GFCCVEGCSA-N	323.393	1.241	50	20	DDGD	
CCC1(CNC(=O)NNC(=O)COc2ccc(OC)cc2)CC1	268052773	QWILGKQTGWCLKQ-UHFFFAOYSA-N	321.377	1.595	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)C[C@H]1Oc2ccccc2NC1=O	263645750	CGTGKISAUBQCCS-LLVKDONJSA-N	321.333	1.332	50	20	DDGD	
C[C@H](C(=O)NNc1nccnc1Cl)n1nnnc1C(C)(C)C	273502445	YXPACLPYQNCQPH-SSDOTTSWSA-N	324.776	1.118	50	20	DDGD	
Cc1sc(Br)nc1C(=O)NNC(=O)C1CC1	277623940	YNVDJRHSXITGEF-UHFFFAOYSA-N	304.169	1.385	50	20	DDGD	
C[C@@H](CO)CCCNC(=O)NNc1ncnc2ccsc12	270571664	VLIGLTBZSVYBSU-SECBINFHSA-N	309.395	1.726	50	20	DDGD	
O=C(NNC(=O)C1CCC1)Nc1cncc(Br)c1	272840864	OLVWZEWHUKQLMW-UHFFFAOYSA-N	313.155	1.797	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H](C)Sc1nnnn1C1CC1	276809637	ZOFHKSCHDPZOJU-VIFPVBQESA-N	319.394	1.335	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCC1([C@H](O)C(C)C)CC1	271798819	KKPDUVSFSOPTJD-CQSZACIVSA-N	319.405	1.736	50	20	DDGD	
CC(=O)N1CCCC[C@H]1C(=O)NNc1cnc2ccccc2n1	286020665	JAVZBQVSQAWYGJ-AWEZNQCLSA-N	313.361	1.474	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)CCOC1CCOCC1	280867747	BNMCEUQKNTYJMW-UHFFFAOYSA-N	321.377	1.733	50	20	DDGD	
CC[C@@H](C)CCC(=O)NNC(=O)[C@H]1COc2ccccc2O1	284955669	DMZXZEMUVZBUIR-BXUZGUMPSA-N	306.362	1.800	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ccc3ccccc3n2)CC1	280298111	MRVDRBTVNUZSNP-UHFFFAOYSA-N	305.359	1.255	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1ccc(C#N)cc1)C1CCOCC1	280118869	WMZPYNRDLSKSDV-UHFFFAOYSA-N	315.373	1.772	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)CC(C)(C)O	281609117	PBBIGEVSXJEZEL-UHFFFAOYSA-N	312.391	1.096	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](Cc2ccccc2)OC)nc1	295157970	GIOJXWAHBQDNNY-AWEZNQCLSA-N	301.346	1.791	50	20	DDGD	
CC(C)c1ncncc1C(=O)NNC(=O)NCc1ccco1	299242881	UEEKNJOGKDHOLF-UHFFFAOYSA-N	303.322	1.337	50	20	DDGD	
Cc1ccc(C=NNC(=O)C(C)(C)O)c(-c2ccnn2C)c1	802712389	NOFKKLOXOALOAX-UHFFFAOYSA-N	300.362	1.617	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1	294073322	HGRDHWYZQKLZKY-CYBMUJFWSA-N	323.299	1.405	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)N[C@@H]2CCC2(C)C)cc1	807575950	UKBYHVQEVQQOPS-CYBMUJFWSA-N	321.377	1.593	50	20	DDGD	
CC[C@@H](OC1CCCCC1)C(=O)NNC(=O)N=c1cc[nH]cc1	802035413	GSBQNOYFUFCCSB-CQSZACIVSA-N	320.393	1.784	50	20	DDGD	
COC(=O)NCCCC(=O)NNc1cccc(NC(C)=O)c1	293869662	HPORKLXCNOXBHP-UHFFFAOYSA-N	308.338	1.224	50	20	DDGD	
CC/C(C)=C/C(=O)NNc1c(OC)cccc1S(C)(=O)=O	295384113	QJASCKKKOIHKFV-MDZDMXLPSA-N	312.391	1.898	50	20	DDGD	
CCC(CC)(C(=O)COC(=O)/C(C#N)=C/C1CC1)C(=O)OC	803503206	KLZWCPDKSPGJFQ-XYOKQWHBSA-N	307.346	1.938	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)[C@H]1Cc2ccccc2S1	802036234	SUEVCETXGHVFOG-CYBMUJFWSA-N	314.370	1.373	50	20	DDGD	
Cc1sc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1[N+](=O)[O-]	294307559	RGYMCAMYTKFJOB-RCOVLWMOSA-N	313.335	1.293	50	20	DDGD	
O=C(CCc1ncc[nH]1)NNC(=O)Cc1c[nH]c2ccccc12	806341715	RMOLMNIWEQPGJF-UHFFFAOYSA-N	311.345	1.214	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1c(F)cc(F)cc1F	296875734	LYSKYMVIWAVMCZ-JTQLQIEISA-N	317.267	1.826	50	20	DDGD	
O=C(CN1C(=O)CCc2ccccc21)NNc1ncccc1F	804213764	NPRHKZKMLHCNKQ-UHFFFAOYSA-N	314.320	1.643	50	20	DDGD	
C[C@H]1C[C@H](C(=O)NNC(=O)COc2ccccc2O)CC[C@H]1C	294533934	HNNINHPZDUROQT-FRRDWIJNSA-N	320.389	1.991	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1cccc(C2OCCO2)c1	808849100	LSASCCBLZZSOKT-UHFFFAOYSA-N	305.334	1.685	50	20	DDGD	
O=C(CC1CC1)NNC(=O)c1ccc(N2CCCC2=O)cc1	294254826	TWSOVJASWVDNKW-UHFFFAOYSA-N	301.346	1.375	50	20	DDGD	
CSCC[C@@H](NC(N)=O)C(=O)NNc1ccc(F)cc1F	298131169	AUPBTDRRRFWXQX-SNVBAGLBSA-N	318.349	1.198	50	20	DDGD	
Cc1ccc2c(CC(=O)NNC(=O)N=c3cc[nH]cc3)c[nH]c2c1	802026477	XMACWNGMPRFKRT-UHFFFAOYSA-N	323.356	1.689	50	20	DDGD	
COc1ccc(C(=O)NNc2ncccc2F)cc1OCCO	804218206	RKNKNSYCAYSAHI-UHFFFAOYSA-N	321.308	1.357	50	20	DDGD	
Cn1nnc2c1C[C@@H](C(=O)NNc1c(F)cccc1F)CC2	290622374	YCAWRXJGGUFEGR-QMMMGPOBSA-N	307.304	1.342	50	20	DDGD	
Cc1cc(F)cc(C(=O)NNc2ccc(-n3ccnc3)nn2)c1	804954191	LIYWXWHGOLSFBN-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
Cc1cccc2c1OC[C@@H](NC(=O)NNC(=O)c1ccc[nH]1)C2	291030811	GFSYHIZSUUWVKF-LBPRGKRZSA-N	314.345	1.271	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCOc2cccc(F)c2C1	801583890	RITXAQRHCHCOGM-UHFFFAOYSA-N	323.368	1.214	50	20	DDGD	
CSCC[C@H](O)C(=O)NNC(=O)c1cccc2ncccc12	294588757	LGNKJYSFHJUHHD-ZDUSSCGKSA-N	319.386	1.110	50	20	DDGD	
COC(=O)NNC(=O)CCc1cc(OC)c(OC)c(OC)c1	298286375	ATTVHYGWJHLZDM-UHFFFAOYSA-N	312.322	1.032	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2cc(Cn3cccn3)on2)c1	815851246	WUCFZNVRDJWGKS-UHFFFAOYSA-N	308.301	1.548	50	20	DDGD	
Cc1nn(C)c(Br)c1C(=O)NNC(=O)CC1CC1	819115013	ZGQHJIKHXVXYPH-UHFFFAOYSA-N	315.171	1.052	50	20	DDGD	
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1ccncc1Cl	817322698	IKUBTIVEPMRJMK-NSHDSACASA-N	324.812	1.544	50	20	DDGD	
COCc1cc(C(=O)NNc2ccc(C)c(C(=O)OC)c2)no1	816688714	CTOSOZBPZWVVKB-UHFFFAOYSA-N	319.317	1.673	50	20	DDGD	
CN(NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C1CC1	819644008	XWJCFVCRZOBCLS-UHFFFAOYSA-N	304.318	1.422	50	20	DDGD	
COCCOc1cc(C(=O)NNc2cccc(Cl)n2)ccn1	817007977	YCZUQAFOLOJDKA-UHFFFAOYSA-N	322.752	1.912	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=C[C@@H]1CCCOC1	814731052	XBUUPWKAHQMZOJ-ZDUSSCGKSA-N	300.362	1.873	50	20	DDGD	
CCOC(=O)c1ccc(NNC(=O)CNC(=O)C2CC2)cc1C	812720770	DOIGRADRMHWFSD-UHFFFAOYSA-N	319.361	1.141	50	20	DDGD	
COc1cccc(-c2n[nH]cc2C=NNC(=O)c2cc(C)[nH]n2)c1	814876532	XGFBRTLIIPTDIW-UHFFFAOYSA-N	324.344	1.881	50	20	DDGD	
Cc1[nH]nc(C(=O)NNc2nc3ccccc3n2C)c1[N+](=O)[O-]	816579374	OFYJTRWHLPPUAQ-UHFFFAOYSA-N	315.293	1.270	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)Cc2cccc(Cl)c2F)nn1	810507585	AUBBAWFZYVROLU-UHFFFAOYSA-N	323.715	1.054	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc(N2CCCC2)nc1	727176663	WYZLOLVCRKWEKF-UHFFFAOYSA-N	321.450	1.589	50	20	DDGD	
COc1ccccc1NCC(=O)NN=C(C)c1csnn1	814711922	AVUTUDKLDQCQCU-UHFFFAOYSA-N	305.363	1.499	50	20	DDGD	
COC[C@H](C)[C@H](C)C(=O)NNC(=O)COc1cc(C)ccc1C	812445643	VQNRJNIXIFXNMF-KBPBESRZSA-N	322.405	1.748	50	20	DDGD	
CSc1nc2nc(C)c(CC(=O)NN(C)C3CC3)c(C)n2n1	822434620	XGECZVVYVVSSCJ-UHFFFAOYSA-N	320.422	1.131	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)[C@H](C(=O)OC(C)(C)C)C1CCCC1	823913335	RXPICGXBXXKREP-DGCLKSJQSA-N	314.426	1.478	50	20	DDGD	
COCCN(C)NC(=O)Cn1nc(C(F)F)cc1C1CC1	822843662	RDCULAAKYCMDFY-UHFFFAOYSA-N	302.325	1.308	50	20	DDGD	
Cc1ccc(F)c2c1CCCN2CC(=O)NNC(=O)C(C)C	828293140	KSEBLABNVPKOMI-UHFFFAOYSA-N	307.369	1.690	50	20	DDGD	
CNC(=O)NN=C(C)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C	727255197	KNTKLIBLSRLFQX-UHFFFAOYSA-N	309.282	1.773	50	20	DDGD	
CCC(=O)NN[C@@H](C(N)=O)c1ccc(Br)cc1	729676131	CNKQAHMHEVVKBL-SNVBAGLBSA-N	300.156	1.006	50	20	DDGD	
CCOC(=O)NNC(=O)COc1cccc(OCC(C)C)c1	493935689	RXECWVVKGYKZAY-UHFFFAOYSA-N	310.350	1.878	50	20	DDGD	
C[C@H]1C[C@@H]1C=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	820667919	OVQGRTRDGCSPKA-GXSJLCMTSA-N	300.322	1.004	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@@H]1Cc2cccc(O)c2C1	496632457	LJTSHAWLNJJODZ-SNVBAGLBSA-N	307.350	1.598	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)nnn3C)n1	490783790	UTGVMLNMDACPEA-XFFZJAGNSA-N	307.317	1.247	50	20	DDGD	
CC[C@@H](C)n1ncc(NC(=O)NNC(=O)c2cc[nH]n2)c1C	822926600	LZBLDLOCTDBOBY-MRVPVSSYSA-N	305.342	1.352	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C(C)C)N2CCCCC2)nc(N)n1	828367148	IDBRZYBAOYLNTE-ZDUSSCGKSA-N	306.414	1.321	50	20	DDGD	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[C@@H]2C[C@@H]21	828348876	ZEQYABMJKJQQMC-JIMOISOXSA-N	318.333	1.727	50	20	DDGD	
CC(C)c1ocnc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	824371801	SUDMMVUEPCCETM-UHFFFAOYSA-N	313.321	1.735	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc(Cl)cc2F)CO1	827612245	LDJMICYXIDBOAT-APPZFPTMSA-N	315.732	1.601	50	20	DDGD	
COc1ccc(C)cc1CC(=O)NNC(=O)Cc1cccnc1	728852668	MMNFGEDQUDAJKN-UHFFFAOYSA-N	313.357	1.331	50	20	DDGD	
CC1(C)CN(C(=O)c2cc(B(O)O)ccc2F)[C@H]2CCC[C@H]21	584994558	KQPKQRRQNMCLPX-OCCSQVGLSA-N	305.158	1.156	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cc(C(F)F)n(C)n1)C1CC1	824446120	GSJZFMOSUIQFBL-LURJTMIESA-N	317.365	1.265	50	20	DDGD	
CCc1ccc(CCNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	826035885	MNNZHQAFQSAFFX-WFASDCNBSA-N	319.405	1.547	50	20	DDGD	
CC[C@@H]1CN(C(=O)[C@]2(C)C[C@@H]2Br)C[C@@H](C)[S@]1=O	908145432	MZMFEYZABIMDJV-MUNCLCMTSA-N	322.268	1.918	50	20	DDGD	
C[C@H](Cc1cccc(O)c1)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	825885451	MXUOMPNILXPTSS-JTNHKYCSSA-N	321.377	1.079	50	20	DDGD	
CCN(CCO)NC(=O)c1ccn(-c2ccccc2Cl)n1	823856300	PGKSJXKWJJKHBH-UHFFFAOYSA-N	308.769	1.485	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1ccc(OC)c(OC)c1Cl	822782076	ORNLLICAJGCAMU-UHFFFAOYSA-N	315.757	1.250	50	20	DDGD	
C=CCN1CCC(NC(=O)[C@@]2(C)C[C@@H]2Br)CC1	906592057	KDXUSQRVMDWZJO-AAEUAGOBSA-N	301.228	1.927	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1C[C@H]1C1CCCCC1	826648718	HSURPULAJQMPFV-RUZUBIRVSA-N	309.410	1.711	50	20	DDGD	
COC(=O)NCCC(=O)NNc1ncccc1C(F)(F)F	491616004	MDPCYJJGPSCCHO-UHFFFAOYSA-N	306.244	1.290	50	20	DDGD	
CCCN1CCC[C@@H](C(=O)NNc2cc(Cl)nc(N)n2)C1	907306513	KQJYYBVYHJLBMB-SECBINFHSA-N	312.805	1.277	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCC(C(C)(C)O)CC2)cn1	827763528	KEIMHLGPSJDGOQ-MDWZMJQESA-N	302.378	1.337	50	20	DDGD	
CS[C@@H]1CC[C@H](NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)C1	826097719	IPHJPZFVONRUCR-YTWAJWBKSA-N	301.412	1.026	50	20	DDGD	
CCCN(NC(=O)[C@@H]1CCc2nncn2C1)C(=O)OC(C)(C)C	495818676	LHRIANLKDBHXSJ-LLVKDONJSA-N	323.397	1.519	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(N(C)C)cc(C(F)(F)F)c1	823799999	XSGIJYGAMDHMPR-UHFFFAOYSA-N	318.299	1.735	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)C/C=C\Cc2ccccc2)CC1	822764589	JUGSWQPRLLAJJS-WAYWQWQTSA-N	316.405	1.164	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NCCCC(=O)O)c1ccccc1	736850990	ZQLBXRBRAVRWPO-LBPRGKRZSA-N	307.350	1.375	50	20	DDGD	
CS[C@@H](C)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	494044933	VEBZUFRIZPMESX-VIFPVBQESA-N	319.427	1.190	50	20	DDGD	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNc1ncc(F)cc1F	497033934	CLVVOQKRAXSUIK-XVKPBYJWSA-N	316.308	1.574	50	20	DDGD	
CCC[C@H]1CCCC[C@H]1CNC(=O)NNC(=O)c1cnn(C)c1	836658457	LSVBZLWSCGPJFU-STQMWFEESA-N	321.425	1.971	50	20	DDGD	
C[C@]1(C(=O)NCCCOC[C@H]2CCOC2)C[C@H]1Br	906777622	JQGVTMQMXBTTSP-WZRBSPASSA-N	320.227	1.719	50	20	DDGD	
CCOC(=O)NNC(=O)Cn1cc(C(=O)O)c2ccccc21	737145839	GDPNXAZCHVEPAW-UHFFFAOYSA-N	305.290	1.117	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1cccnc1)C(=O)c1ccccc1	732750631	XNPRTXJZCIYTGM-GFCCVEGCSA-N	311.341	1.752	50	20	DDGD	
NC(=O)NCCCCCC(=O)NNc1cc(F)ccc1F	900714236	AGHCMSZFRHHIRK-UHFFFAOYSA-N	300.309	1.637	50	20	DDGD	
CCOCC(=O)NN=Cc1ccc(OC[C@@H]2CCCO2)cc1	731154268	CIZWPSZUOAMSDA-HNNXBMFYSA-N	306.362	1.731	50	20	DDGD	
O=C(NN=C1CCN(C(=O)O)CC1)c1ccc(O)c(Cl)c1	739453387	GQNZUWCVMZBLCZ-UHFFFAOYSA-N	311.725	1.905	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1c(F)cc(F)cc1F	831505519	CWLNWJWPJCRZFU-HTRCEHHLSA-N	317.267	1.682	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)C1C2CC3CC(C2)CC1C3	833778305	AUMJKGVQKOZTOU-DUTNFGBUSA-N	306.406	1.775	50	20	DDGD	
CC1CCC(OCc2nc(-c3ccc(B(O)O)cc3)no2)CC1	585055365	XTVSBCIUFAECJT-UHFFFAOYSA-N	316.166	1.512	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)NC[C@H]2CCSC2)cc1	836434316	VLEOJBKDUIHXRJ-SNVBAGLBSA-N	324.406	1.784	50	20	DDGD	
O=C(NNc1ccc(Br)nc1)c1n[nH]c2c1CCC2	732834938	SVLXIPAZUHXSOP-UHFFFAOYSA-N	322.166	1.813	50	20	DDGD	
C[C@H]1CC[C@H](C)N1CCN1CCN(S(=O)(=O)CCl)CC1	830316994	DDUFVKKJJCWXFX-STQMWFEESA-N	323.890	1.003	50	20	DDGD	
COc1cc2c(cc1C=NNC(=O)c1c[nH]nc1C)O[C@H](C)C2	735410556	LNIFSVHFSURAQA-SECBINFHSA-N	314.345	1.814	50	20	DDGD	
C[C@@H]1CN(CCC(=O)NNC(=O)[C@H](C)C(C)(C)C)C[C@@H](C)O1	734542907	LEJQAZPMNXMDNH-UPJWGTAASA-N	313.442	1.315	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCSc3ccc(Cl)cc32)o1	585021221	QYMMGLNVMWHQGL-LBPRGKRZSA-N	323.610	1.940	50	20	DDGD	
O=S(=O)(CCCCCl)Oc1ccccc1-n1cncn1	832722535	KKSQHUDEIAJLLA-UHFFFAOYSA-N	315.782	1.995	50	20	DDGD	
C=C(CBr)COC(=O)c1cn(C)nc1COC	838167713	YGUSIGRZNIMZRC-UHFFFAOYSA-N	303.156	1.674	50	20	DDGD	
CC[C@@H]1CCC[C@H]1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	837852554	UAKDBVZVXJEEKA-JHJVBQTASA-N	312.410	1.938	50	20	DDGD	
CCc1cnccc1[C@H](C)NCc1ccc(B(O)O)cc1F	585033258	AFHVFZQZJPASIN-NSHDSACASA-N	302.158	1.314	50	20	DDGD	
COCCN(C)NC(=O)C[C@@](O)(c1ccc(C)o1)C(F)(F)F	837627748	YAJSRPSTXASDLX-GFCCVEGCSA-N	324.299	1.337	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)C1CCC(OC[C@H]2CCCO2)CC1	910145569	VLQBMFSLWXTPCM-XSCHDIRWSA-N	314.426	1.085	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@]1(C)CCCCO1	837309730	DKMCIBDPDQPXHQ-ZBEGNZNMSA-N	324.352	1.700	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c(C)[nH]1	914747960	YBXUYFUAPYZFHR-AWEZNQCLSA-N	315.329	1.233	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)N[C@H]1CC12CCOCC2	836613585	WTKBAXVUUFSXDO-AWEZNQCLSA-N	317.389	1.437	50	20	DDGD	
O=C(NN=Cc1ccccc1N1CCOCC1)[C@H]1CCCCO1	834988780	MROIPWQGFIZMCE-MRXNPFEDSA-N	317.389	1.542	50	20	DDGD	
C[C@H]1CC(=NNC(=O)COc2ccccc2[N+](=O)[O-])[C@H](C)O1	834927571	NHWWKCVKKAKBLZ-UWVGGRQHSA-N	307.306	1.643	50	20	DDGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2C(N)=O)C1	912578707	DWJIHFISWWLPOD-GRYCIOLGSA-N	312.486	1.731	50	20	DDGD	
O=C(NNC(=O)[C@@H]1Cc2ccccc21)c1ccc2c(c1)OCO2	742033695	SMASJRJUHCBNGY-CYBMUJFWSA-N	310.309	1.516	50	20	DDGD	
COCC[C@@H](Cc1ccco1)NC(=O)NNc1ccncn1	836392450	GDHGNKQCIQMBPO-NSHDSACASA-N	305.338	1.344	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cnc(Cl)c(Br)c1	910154067	BVXYEJZOCBNNEK-ZCFIWIBFSA-N	322.590	1.455	50	20	DDGD	
CCCNC(=O)NNC(=O)[C@H]1CCCc2ccc(OC)cc21	847395261	SNMUEXAHQXDOGM-ZDUSSCGKSA-N	305.378	1.856	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1C[C@@]12CCc1ccccc12	843653149	MHOKWGFKYJDUIY-KMXJZHQMSA-N	314.385	1.463	50	20	DDGD	
O=C(NCc1nc(C2CC2)no1)NNC(=O)c1ccccc1F	918233338	LBDTXSOXMINFOX-UHFFFAOYSA-N	319.296	1.230	50	20	DDGD	
CC[C@@H]1CN(CC(=O)NNC(=O)c2ccc(F)cc2)[C@@H](C)CO1	844391375	QDOKLXUYUBAXMP-SMDDNHRTSA-N	323.368	1.086	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1c(C)noc1C(F)(F)F	746234679	GORYLBBXDRDJMT-UHFFFAOYSA-N	317.227	1.108	50	20	DDGD	
CN(NC(=O)NCCCOC[C@@H]1CCOC1)c1ccccc1	740920461	NHOFVPDMXDVGSS-AWEZNQCLSA-N	307.394	1.780	50	20	DDGD	
CCCN(CCC)CCCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843975202	QHKGGDIWRMPXQF-ZIAGYGMSSA-N	313.442	1.461	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)N[C@H]2CCN(C)[C@H](C)C2)cc1	745857113	HNMYBFZQYCBWNC-DOMZBBRYSA-N	318.421	1.676	50	20	DDGD	
CC(C)(CO)C(=O)NNC(=O)c1c(Cl)cccc1Cl	847433261	YFXMXCMYJTYDIJ-UHFFFAOYSA-N	305.161	1.773	50	20	DDGD	
C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NNC(=O)c1ncccn1	841592340	OPIHKZSTAOHSFX-RYUDHWBXSA-N	319.409	1.978	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1ccc(Cl)s1	842587317	ZBPPRNXQVZGLSD-RQJHMYQMSA-N	324.811	1.136	50	20	DDGD	
COC(=O)C12CC(C(=O)NNc3cc(Cl)nc(C)n3)(C1)C2	843908573	AHDZMMYNSJFPEX-UHFFFAOYSA-N	310.741	1.225	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NN=Cc2c[nH]c3ncccc23)cc1	741760540	ZDQYPUBORSNAFK-UHFFFAOYSA-N	321.340	1.960	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNc1ncc(Br)cn1	848321740	BXDFNRSKHDTDAU-VXNVDRBHSA-N	317.187	1.743	50	20	DDGD	
O=C(NNC(=S)NC[C@@H]1CCOC1)NC1CCCCC1	749645951	JCDGWVCRTRGJMH-JTQLQIEISA-N	300.428	1.034	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cc1c(F)cccc1Cl	843638493	CSDXSACOBBHNGB-DTWKUNHWSA-N	314.744	1.594	50	20	DDGD	
Cc1cc(C)c2c(c1)CCC2=NNC(=O)[C@@H](C)NS(C)(=O)=O	848405239	DMMAQWGJISKHEE-LLVKDONJSA-N	323.418	1.008	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1	910152142	LYBMHBYEDBIVPG-QWRGUYRKSA-N	312.797	1.893	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNc2ccc(-n3cccn3)nn2)CS1	840415857	ITMWGUWVGFIJBG-UWVGGRQHSA-N	319.394	1.182	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccn(CCc2ccccc2)n1	910144549	KJWDQGJEYDDUDV-ZDUSSCGKSA-N	302.378	1.083	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)COc2ccc(C)c(C)c2)on1	845078572	DWUBILMNXPITMF-UHFFFAOYSA-N	317.345	1.369	50	20	DDGD	
N#Cc1ccc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)cc1	916350360	ZJACPIRURQOQBB-UHFFFAOYSA-N	317.312	1.298	50	20	DDGD	
CCOc1ccc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)cc1OC	842553580	IDQXSXLFZVBYJS-DGCLKSJQSA-N	306.362	1.969	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1ccc(F)cc1[N+](=O)[O-]	842562338	PHNJIEKUHKSFMV-CABZTGNLSA-N	309.297	1.999	50	20	DDGD	
CC(=O)CCc1ccc(O[C@@H](C)C(=O)NNC(=O)C(C)C)cc1	745108147	XWOJWILHWNVKHV-ZDUSSCGKSA-N	320.389	1.779	50	20	DDGD	
CCOc1cccc(NC(=S)NNC(=O)[C@H]2CCO[C@H]2C)c1	843278166	XUNBZOLXJYVAQQ-GWCFXTLKSA-N	323.418	1.828	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H]1CCc2ccccc2C1	845299233	XXCDAQKBUFKMNJ-CQSZACIVSA-N	305.378	1.158	50	20	DDGD	
CCOC(=O)/C(C#N)=C/N[C@@H](C)C(=O)NCCc1ccccc1	840725797	JPQUHNQKENWPMH-UESPBHMZSA-N	315.373	1.294	50	20	DDGD	
CC(C)c1ccc([C@H](N)CNC(=O)NNc2cccnn2)cc1	841934533	ZGHWJMILVIWFHW-CQSZACIVSA-N	314.393	1.926	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc([C@@H]2CCOC2)c1	843657197	BSVHSUZAYMIOJZ-NILFDRSVSA-N	318.373	1.377	50	20	DDGD	
CN(C(C)(C)CN1CCCC1)S(=O)(=O)CBr	841572595	QRPPKNZPDUOUOU-UHFFFAOYSA-N	313.261	1.475	50	20	DDGD	
CCCCCCO[C@H](C)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843657993	FKVMUFGYXDQWIV-UPJWGTAASA-N	300.399	1.544	50	20	DDGD	
Cc1ccn(C[C@@](C)(O)C(=O)N(C)CC(Cl)Cl)c(=O)c1	848084833	XPZKQUMADCLFIZ-CYBMUJFWSA-N	321.204	1.170	50	20	DDGD	
COc1ccc2nc(C)c(C(=O)NNC(=O)N(C)C)cc2c1	746003932	WTDQFQLCLMLSGV-UHFFFAOYSA-N	302.334	1.468	50	20	DDGD	
CCOc1ccc(C=NNC(=O)C(=O)NC(CC)CC)c(O)c1	740762441	RIVZUNLJISSRBT-UHFFFAOYSA-N	321.377	1.546	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2	846643140	PKRAUKQNQPTVLF-GRYCIOLGSA-N	321.402	1.379	50	20	DDGD	
CC[C@H](CN1CCOCC1)NC(=O)[C@]1(C)C[C@@H]1Br	928649983	UQHSAWWAIPULLY-NTZNESFSSA-N	319.243	1.387	50	20	DDGD	
C[C@]1(CNC(=O)NOCC(F)(F)F)C[C@H]1Br	856844648	WOUJVISVCFXTPM-IYSWYEEDSA-N	305.094	1.953	50	20	DDGD	
N#CC[C@@H]1CCCN(C(=O)NNC(=O)c2cccc(C#N)c2)C1	852055979	BDBTVOMDCUJTMF-LBPRGKRZSA-N	311.345	1.538	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H]1CCC(=O)N(c2cccc(F)c2)C1	854213888	NORJWEPXFLCJFZ-NSHDSACASA-N	321.352	1.372	50	20	DDGD	
COC[C@@H](NC(=O)NNc1ccc([N+](=O)[O-])cc1F)C1CC1	853886699	GLJANBPOCZQYII-GFCCVEGCSA-N	312.301	1.785	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2ccc([N+](=O)[O-])cc2F)n1	758342924	CNSFAKZTPSXHJY-UHFFFAOYSA-N	322.256	1.681	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ncccc2Cl)[C@@H]2CCCC[C@H]2N1	857127526	TXBPZMFHCPRJSW-JBLDHEPKSA-N	322.796	1.873	50	20	DDGD	
C[C@@H]1CCN(CC(=O)NNC(=O)c2cccc(Cl)c2)[C@@H]1C	752317625	FGRLPQRTEBNDSE-GHMZBOCLSA-N	309.797	1.831	50	20	DDGD	
Cc1ncc2n1CC[C@H](C(=O)NNc1ccnc(Cl)c1)C2	855466862	ZHXIJYPSNUCKHW-JTQLQIEISA-N	305.769	1.946	50	20	DDGD	
CN(C)c1ccc(C2(C(=O)NNc3cnnn3C)CC2)cc1	857270798	OYHDOAILKQSRNF-UHFFFAOYSA-N	300.366	1.056	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)[C@H]1CCC[C@H](C)C1	854281156	AYKKYMXGKRIVHX-RYUDHWBXSA-N	301.456	1.687	50	20	DDGD	
C[C@@H]1CC[C@H](CNC(=O)NNc2ccc([N+](=O)[O-])cc2F)O1	854127277	SUNRCIMCICRPDR-PSASIEDQSA-N	312.301	1.928	50	20	DDGD	
O=C1C[C@H](C(=O)NNC(=O)c2ccccc2)[C@@H]2CCCC[C@@H]2N1	854138368	ICYLUYLFSORKJC-IHRRRGAJSA-N	315.373	1.143	50	20	DDGD	
O=C(NNC(=O)N1CCC(OCC2CC2)CC1)C1CCCC1	753343863	KPJINHPDJADHBU-UHFFFAOYSA-N	309.410	1.808	50	20	DDGD	
O=C(NN=C[C@@H]1CCc2ccccc21)[C@@H]1CN2CCC[C@@H]2CO1	853388196	AKCOIXVCRGXHSF-UXLLHSPISA-N	313.401	1.682	50	20	DDGD	
O=C(CSC(F)F)NNC(=O)c1cc2c(s1)CCC2	920821238	QRNOLIXCNUISDR-UHFFFAOYSA-N	306.359	1.954	50	20	DDGD	
Cc1nc(CC(=O)NN=Cc2c(C3CC3)cnn2C)cs1	853272252	MIGCPYPGBJYRGZ-UHFFFAOYSA-N	303.391	1.755	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1ccc2c(c1)CCOC2)C1CC1	855096154	VWIHPUJMUDOZHJ-SNVBAGLBSA-N	319.430	1.667	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CC[C@@H]3OCC[C@@H]3C2)c1	858707399	SVPFBYQKLTZZHR-MNOVXSKESA-N	309.391	1.522	50	20	DDGD	
Cc1onc(CO)c1C(=O)NNc1ccc(OC(F)F)cc1	857473768	CPQBSYKWCWFOAR-UHFFFAOYSA-N	313.260	1.834	50	20	DDGD	
COCCC1(C(=O)NNC(=S)NCC2CCC2)CCCC1	855090589	IMMITWDZQBREPX-UHFFFAOYSA-N	313.467	1.879	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccc(-c2nnc(S)o2)cc1	758794796	PJLFWFKPADFYJF-UHFFFAOYSA-N	304.331	1.196	50	20	DDGD	
NC(=O)[C@H](Cc1ccccc1)NNC(=O)c1ccccc1F	758144359	TYTXNDNEGQHKLE-AWEZNQCLSA-N	301.321	1.157	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@@H]2CCCS(=O)(=O)C2)cc1F	853954287	YJQLRPOWJBSOJQ-LLVKDONJSA-N	315.370	1.337	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H](NS(C)(=O)=O)C(C)C)cc1F	856230305	LQDVAZNYSRMBER-GFCCVEGCSA-N	317.386	1.151	50	20	DDGD	
CCc1cccc(F)c1C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	853389882	CNBMNRORZAYQIP-CJNGLKHVSA-N	319.380	1.701	50	20	DDGD	
CCNC(=O)N1CC[C@@H](NC(=O)NNc2cc(F)ccc2C)C1	853861410	ZCMHQKIRFDUUFR-GFCCVEGCSA-N	323.372	1.564	50	20	DDGD	
CC1CC(C#N)(C(=O)NNC(=O)Cc2ccc(Cl)cc2)C1	758156587	AWFVSMQOOYDLDP-UHFFFAOYSA-N	305.765	1.970	50	20	DDGD	
CCOC(=O)/C=C/c1ccc(NC(=O)NNC(=O)CC)cc1	755845464	CYFGRTXKSLCYDN-JXMROGBWSA-N	305.334	1.826	50	20	DDGD	
CC(=O)NNC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1	757634899	ZCSJONZFNGJRIA-UHFFFAOYSA-N	311.341	1.744	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N1CC(C)(C)OC[C@@H]1C	753124729	FPLNYKAOIOFXGI-NSHDSACASA-N	321.377	1.549	50	20	DDGD	
CCCN(CC)c1ccc(C(=O)NNC(=O)NCC2CC2)cn1	751371969	OBAHRDIGVHIATH-UHFFFAOYSA-N	319.409	1.672	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCc1cccnc1Cl	855006689	QBBXJASWFLWNPF-MWLCHTKSSA-N	311.769	1.240	50	20	DDGD	
CCCOc1cccc(NC(=O)NNC(=O)c2c[nH]nc2C)c1	755659876	KMHBQDAHPMUWBG-UHFFFAOYSA-N	317.349	1.973	50	20	DDGD	
CCCOc1ccc(CCC(=O)NNC(=O)c2cn[nH]c2)cc1	862472877	VRORRSJGFNGJNM-UHFFFAOYSA-N	316.361	1.592	50	20	DDGD	
COc1ccc(F)cc1S(=O)(=O)NCC(Cl)Cl	867468752	QJDIPZDKZVCRHW-UHFFFAOYSA-N	302.154	1.916	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1C[C@H]2[C@@H](N)CCC[C@H]2C1	866757811	GJYGQWZLPMSEAF-TUAOUCFPSA-N	308.875	1.640	50	20	DDGD	
CN(C)N(C(=O)[C@H](F)c1ccccc1)[C@H]1CCS(=O)(=O)C1	769430843	HVQNSCYHZGQSAS-QWHCGFSZSA-N	314.382	1.190	50	20	DDGD	
COc1ccc2cc(C(=O)NNc3nccnc3OC)[nH]c2c1	764482225	PVKSDQRJVOMRKS-UHFFFAOYSA-N	313.317	1.732	50	20	DDGD	
COc1cc(S(=O)(=O)N2CC=C(C#N)CC2)cnc1Cl	767839536	SDNHCIXXRNTBGR-UHFFFAOYSA-N	313.766	1.588	50	20	DDGD	
CC[C@H]1CCCC[C@H]1OCC(=O)NNc1ccnc(N(C)C)n1	768712795	UQSXMKMGQYEGPB-QWHCGFSZSA-N	321.425	1.971	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1CCC(C)(C(=O)O)CC1	864496618	FKWYUOCULRTSSP-UHFFFAOYSA-N	311.831	1.768	50	20	DDGD	
O=C(C[C@@H]1COC(=O)C1)NNC(=O)C12CC3CC(CC(C3)C1)C2	764534515	RNGGMGHSNXSKKF-RQYMUSGFSA-N	320.389	1.303	50	20	DDGD	
O=C(NN=Cc1cccc(-c2cccnc2)c1)C(=O)NC1CC1	768483037	OQNJHEIOEFOCRY-UHFFFAOYSA-N	308.341	1.477	50	20	DDGD	
COCCO[C@H](C)C(=O)NN=C(C)c1ccc(C(=O)OC)cc1	767788506	MOQKMHIWKTVEDA-GFCCVEGCSA-N	322.361	1.365	50	20	DDGD	
COc1cccc(F)c1C(=O)NNC(=O)c1ccc(C)cc1O	761246387	MUASTARLNFMNHV-UHFFFAOYSA-N	318.304	1.923	50	20	DDGD	
Cn1c(CC(=O)NN=CC[C@H]2CCOC2)nc2ccccc21	765559045	IHYATJHEPKUCOW-LBPRGKRZSA-N	300.362	1.644	50	20	DDGD	
Cc1ccccc1C[C@H](C)C(=O)NNc1nnc(C)c(O)n1	863855331	XKFCQPYXXSKARY-JTQLQIEISA-N	301.350	1.516	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)CCCOc2ccccc2)n[nH]1	869013079	LIQJEJJASKZEOF-UHFFFAOYSA-N	316.361	1.267	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NC1CCC(F)(F)CC1	761777050	VLSZWMJIRWZYKB-UHFFFAOYSA-N	312.320	1.532	50	20	DDGD	
Cc1oc2ncnc(O)c2c1C(=O)NN[C@@H](C)C(F)(F)F	862305465	ODAGNZGPGHXZFA-YFKPBYRVSA-N	304.228	1.422	50	20	DDGD	
COC(=O)[C@@H]1CCN(S(=O)(=O)CC(C)(C)CCl)[C@H]1C	867168065	ZWROODYZEDGKLO-VHSXEESVSA-N	311.831	1.465	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c(Br)c1)c1ccncc1	1116072831	NOWGHUYCJCEIQA-UHFFFAOYSA-N	309.123	1.247	50	20	DDGD	
Cc1nnc(-c2ccccc2C(=O)NNC(=O)c2ccncc2)o1	764430427	QIDPSADYJCEVEU-UHFFFAOYSA-N	323.312	1.515	50	20	DDGD	
COC(=O)N1CCC[C@H](NC(=O)NNc2cccc(C)n2)C1	875209467	BNNRZRSKJRBKDZ-NSHDSACASA-N	307.354	1.247	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)c1c[nH]cc1C1CC1	878903144	CXESWMQYWPLDRO-UHFFFAOYSA-N	313.357	1.870	50	20	DDGD	
COc1ccc(C(=O)NNc2nncc(N)c2Cl)c(OC)c1	1116292216	AJKAZXDOAZVVQX-UHFFFAOYSA-N	323.740	1.486	50	20	DDGD	
CC[S@](=O)c1ccccc1C(=O)NNC(=O)c1cccn1C	770264559	CBLYHSFSQWCVRW-QFIPXVFZSA-N	319.386	1.227	50	20	DDGD	
COc1ccc2[nH]c(C)c(C(=O)NNC(=O)NC(C)C)c2c1	1116337412	IYKJZZRBMPHOTP-UHFFFAOYSA-N	304.350	1.837	50	20	DDGD	
Cc1oc2ncn(C)c(=O)c2c1C(=O)NN(C)c1ccccc1	770259021	CXWFNJOZSUABRE-UHFFFAOYSA-N	312.329	1.616	50	20	DDGD	
COc1cc(O)ccc1C=NNC(=O)[C@@H](C)CN1CCCCC1	1115821464	LSZJDPPJBPQRPG-ZDUSSCGKSA-N	319.405	1.973	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)COc2ccccc2OC)co1	771867245	KJIXCULUBNYGOK-UHFFFAOYSA-N	319.317	1.086	50	20	DDGD	
CC(C)NC(=S)NNC(=O)c1occc1Br	1116214812	HKVHGOQWIOSNPQ-UHFFFAOYSA-N	306.185	1.559	50	20	DDGD	
COc1ccnc(NNC(=O)Nc2cc(C)cnc2OC)n1	775656041	WGHBCMRTUJPZNH-UHFFFAOYSA-N	304.310	1.346	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)/C=C/[C@H]1CCOC1	873770614	RZAHHYKIOARJNS-MLRMMBSGSA-N	321.402	1.606	50	20	DDGD	
Cc1nc([N+](=O)[O-])cn1CC(=O)OC[C@@H](C)CBr	770363470	VPYNPWLJBJGYDB-ZETCQYMHSA-N	320.143	1.674	50	20	DDGD	
C[C@@]1(CNC(=O)N[C@H]2C[C@@H](C(=O)O)C2)C[C@@H]1Br	874408029	MAQIIRAXVRVOTQ-PJFCORBGSA-N	305.172	1.322	50	20	DDGD	
Cc1ccn(C[C@@H](C)C(=O)NNc2nc3ccccc3n2C)n1	879947791	OBMKWMAGGMIKJP-LLVKDONJSA-N	312.377	1.858	50	20	DDGD	
CC(CCn1cccn1)=NNC(=O)Cn1cnc2ccccc21	776758848	CJRFUZRORGPVBB-UHFFFAOYSA-N	310.361	1.815	50	20	DDGD	
CCc1cnccc1CNC(=O)NNc1nccc(OC)n1	779407742	BJCRDCAZBHXYNO-UHFFFAOYSA-N	302.338	1.269	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1nccs1	770082972	IJIAYQYQKFVKBP-MRVPVSSYSA-N	309.322	1.511	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@H](NC(=O)NNC(=O)Cc2cccnc2)C1(C)C	775736161	OFWUHIOGFNSUEQ-LEWSCRJBSA-N	320.393	1.014	50	20	DDGD	
Cn1nc2c(c1NC(=O)NNc1ncccc1F)CCCC2	880622813	OOGIEXDWNGQNJN-UHFFFAOYSA-N	304.329	1.982	50	20	DDGD	
CCOC(=O)CCN(CC1CC1)S(=O)(=O)CCCCl	881813590	QYHBIYNAMNMIFI-UHFFFAOYSA-N	311.831	1.610	50	20	DDGD	
Cc1cc(NNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)ncn1	779202152	KADIGKSXFGRHFX-UHFFFAOYSA-N	317.261	1.179	50	20	DDGD	
COC(=O)NCCCC(=O)OC[C@]1(C)C[C@H]1Br	1123141715	MNYVHCYYMCVTTM-KCJUWKMLSA-N	308.172	1.839	50	20	DDGD	
COc1ccc(C(=O)NN=c2sc3ccccc3n2C)cn1	776725307	JESMOUZJPPKOFA-UHFFFAOYSA-N	314.370	1.889	50	20	DDGD	
CCOC(=O)c1ccccc1NC(=O)CN1CC=C(C#N)CC1	779591908	YXEHWAVJOKLGGG-UHFFFAOYSA-N	313.357	1.957	50	20	DDGD	
C[C@@H]1CCS(=O)(=O)CCN1C(=O)C1CCC(Cl)CC1	1123852496	OMXMCOXUDJXOSH-VOMCLLRMSA-N	307.843	1.820	50	20	DDGD	
CC/C(C)=C(\C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	779718824	GVMSQZHRGNUERZ-VNDWYCCKSA-N	304.346	1.720	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@H](O)CCc1ccccc1	882062668	MEJABMRTYPKWOW-CYBMUJFWSA-N	305.827	1.528	50	20	DDGD	
COc1ccc(/C=C\C(=O)NNc2ncc(F)cn2)cc1O	773515902	GCVKSCSRLXEHEW-HYXAFXHYSA-N	304.281	1.486	50	20	DDGD	
Cc1ccc(C(=O)NNc2ccccc2S(N)(=O)=O)cc1F	788228460	KSIWIJMWWQCNHU-UHFFFAOYSA-N	323.349	1.538	50	20	DDGD	
CCc1csc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)n1	789735412	NZSNHRXATSHPQS-UHFFFAOYSA-N	312.395	1.228	50	20	DDGD	
C[C@H](C(=O)NNc1ncncc1Cl)N1CCSCC1	781836128	JOGPBDQEWZFRKC-MRVPVSSYSA-N	301.803	1.010	50	20	DDGD	
CCCN(C)c1ccc(C(=O)NNC(=O)C2CCOCC2)cc1	883062981	YPWATUQTTQFCBU-UHFFFAOYSA-N	319.405	1.720	50	20	DDGD	
CC(C)c1cccc(CNC(=O)NNC(=O)c2cccnn2)c1	883578946	KZYAFWPRDFPJEL-UHFFFAOYSA-N	313.361	1.744	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccccc1F)C1=CCN(C)CC1	781398382	JZLVEEMKYDPMKB-LLVKDONJSA-N	320.368	1.420	50	20	DDGD	
CS(=O)(=O)[C@@H]1CCCC(=NNC(=O)c2ccc(N)cc2)C1	788407354	DDQUKTADNLVIST-CYBMUJFWSA-N	309.391	1.342	50	20	DDGD	
CO[C@@]1(C(=O)NNC(=O)CNc2ccc(C)cc2)CCSC1	895558272	UVUMZLCGHIEZOG-HNNXBMFYSA-N	323.418	1.076	50	20	DDGD	
COC(=O)Cc1csc(N(C(=O)C=C2CCC2)N(C)C)n1	892200853	IUGRHKVBBCZTGM-UHFFFAOYSA-N	309.391	1.779	50	20	DDGD	
N[C@H]1C[C@@H](CNC(=O)NNC(=O)c2cccc3ccccc23)C1	892561232	XNMJNYTZKXEBFD-BJHJDKERSA-N	312.373	1.521	50	20	DDGD	
C[C@@H]1CCc2sc(C(=O)NNC(=O)CC3COC3)cc2C1	899959668	ZMMAZUYVMFTHAD-SECBINFHSA-N	308.403	1.670	50	20	DDGD	
Cc1nccn1CCCNC(=O)NNc1ncncc1Cl	780965667	QDOCEIJDKYIORP-UHFFFAOYSA-N	309.761	1.351	50	20	DDGD	
Cc1nc(C=NNC(=O)c2ccc(O)c(O)c2)c2ccccn12	794558550	BPDJDRDJZJMQBQ-UHFFFAOYSA-N	310.313	1.818	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)c1ccnc(NC(=O)C2CC2)c1	795186124	VJZDMCOUPWFHRQ-UHFFFAOYSA-N	316.361	1.381	50	20	DDGD	
CC(=NNC(=O)N1CCN(C)CC1)c1ccc(C)c(C)c1O	790181435	LHAFXCICSKOSNA-UHFFFAOYSA-N	304.394	1.690	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@H](C)O[C@H](C2CC2)C1	791554312	GYUKXNVPFLSDRB-OBJOEFQTSA-N	311.426	1.068	50	20	DDGD	
Cc1cccnc1NNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12	791221602	YMNKFIRYJAURRG-UHFFFAOYSA-N	312.289	1.931	50	20	DDGD	
CCOCC1(C(=O)NNC(=O)Cn2ccc3ccccc32)CC1	799333335	QTVXOQKQPPTGRP-UHFFFAOYSA-N	315.373	1.605	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN(CC(F)(F)F)C1)NC1CCCC1	792102664	PFGSBUCDDXDITO-SECBINFHSA-N	322.331	1.144	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H]1CCC[C@H](C(N)=O)C1	798310495	PAYOSRUCZGIPAF-RYUDHWBXSA-N	318.377	1.439	50	20	DDGD	
Cc1cccnc1NNC(=O)c1ccnc(N2CCCCC2)n1	791213729	OARYUECJPNXUAA-UHFFFAOYSA-N	312.377	1.927	50	20	DDGD	
CC(=NNC(=O)COc1ccc(F)cc1)c1ccnc(O)c1	790288445	DTZFNHZFYRDPMP-UHFFFAOYSA-N	303.293	1.846	50	20	DDGD	
C=C(CBr)CN1CCC(CS(C)(=O)=O)CC1	795249158	FQWLUOSAPYGUTF-UHFFFAOYSA-N	310.257	1.694	50	20	DDGD	
COCc1cc(C=NNC(=O)[C@H](C)CN2CCCCCC2)no1	794888469	QSCWETOXUJCMHT-CYBMUJFWSA-N	322.409	1.783	50	20	DDGD	
N#Cc1cccc(-c2cc(C(=O)NNc3ncc(F)cn3)on2)c1	790005404	PIIDQJUVBVUYDJ-UHFFFAOYSA-N	324.275	1.899	50	20	DDGD	
CC(=O)NC(C)(C)C(=O)NNc1cncc(Br)c1	1319627822	WRSVCHAZDZOSKH-UHFFFAOYSA-N	315.171	1.202	50	20	DDGD	
CC(=NNC(=O)COc1ccccc1F)c1ccnc(C)n1	1320737853	LNGGYZRDOQXMAD-UHFFFAOYSA-N	302.309	1.843	50	20	DDGD	
COCCCNC(=O)NNC(=O)C(F)(F)c1ccccc1C	1320375169	AYUJLMSLOQRPBN-UHFFFAOYSA-N	315.320	1.454	50	20	DDGD	
Cc1csc(NC(=O)NNC(=O)c2n[nH]c3c2CCCC3)n1	1327030835	YJOQJOSUVLCRJQ-UHFFFAOYSA-N	320.378	1.520	50	20	DDGD	
COc1ccc(C(=O)NN=Cc2c(C)nn(CCO)c2C)cc1	1324230599	GCWQVNZBPOSLHC-UHFFFAOYSA-N	316.361	1.265	50	20	DDGD	
Cc1c(CCC(=O)NNC(=O)c2ccccc2Cl)cnn1C	1320229958	NZQAWAYUPXOUGG-UHFFFAOYSA-N	320.780	1.776	50	20	DDGD	
Cc1cc(C=NNC(=O)c2cc([N+](=O)[O-])ccc2O)ncn1	1327776663	GFQWSMAUUOWPAT-UHFFFAOYSA-N	301.262	1.163	50	20	DDGD	
Cn1ccc(NNC(=O)c2ccc(N3CCOCC3)cc2)n1	1320948886	KZMCPHQIIWSNNR-UHFFFAOYSA-N	301.350	1.014	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)C[C@H]2CC[C@H]1C2	1331298605	WCJHXJNEKGYWMV-DINDLPBHSA-N	316.405	1.876	50	20	DDGD	
CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	1338504103	GRMGUTBNIMLIHJ-GMXVVIOVSA-N	324.352	1.556	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1c[nH]c(Br)c1	1331900294	OXLBWYSUBDRRQB-UHFFFAOYSA-N	319.228	1.685	50	20	DDGD	
N#Cc1cccc(NNC(=O)c2cn(C3CCOCC3)nn2)c1	1347816813	CEKAJMHTUDMQTK-UHFFFAOYSA-N	312.333	1.258	50	20	DDGD	
O=C(Nc1cn[nH]c1)[C@H]1CCN(C(=O)C2CCC(Cl)CC2)C1	1348708224	VXRDSINNRZOHEJ-CXQJBGSLSA-N	324.812	1.994	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cc(O)nc(C3CC3)c2)nc1	1608904178	KWPGIFLIWSEDSI-UHFFFAOYSA-N	314.301	1.515	50	20	DDGD	
CN(C)c1cc(C(=O)O)ccc1NC(=O)NN=c1cc[nH]cc1	1606052873	HHQNANLMIPMNMV-UHFFFAOYSA-N	315.333	1.416	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCC(O)(C(=O)O)CC1	1608170423	YZACHFWWHHTVNS-XFXZXTDPSA-N	318.304	1.171	50	20	DDGD	
C[C@@H]1[C@H](NC(=O)NNc2ccc(F)c(C(=O)O)c2)CCN1C	1604647422	XPXFFVOHOBLWQL-PRHODGIISA-N	310.329	1.243	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cc(F)cc(C(=O)O)c2)n1	1600183067	RAVFFBYEZOOHHE-UHFFFAOYSA-N	304.281	1.688	50	20	DDGD	
CC(C)[C@H](CNC(=O)NNc1ccc(C(C)(C)C)nn1)C(=O)O	1602984949	KUCLPIUVFNZFDK-JTQLQIEISA-N	323.397	1.757	50	20	DDGD	
O=C(CCC1CCCCC1)NNC(=O)C12CC(C(=O)O)(C1)C2	1610654895	UYTMYYGOHNECNP-UHFFFAOYSA-N	308.378	1.749	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCO[C@H]1c1ccnn1C)C(F)(F)F	1549320585	ORMFTDXEQBNIOC-GXSJLCMTSA-N	318.299	1.942	50	20	DDGD	
O=C(NN=CCCC1CCOCC1)[C@H]1CN2CCC[C@@H]2CO1	1549319021	FXBKPVDZCGKTMC-HUUCEWRRSA-N	309.410	1.158	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@H]1C(=O)NN=Cc1ccccn1	1549310159	TUHSUNWFJXSWJN-KGLIPLIRSA-N	313.361	1.433	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NN=Cc1cc(C(=O)O)co1	1610674824	CWAFFZQUMGEUTN-UHFFFAOYSA-N	312.285	1.318	50	20	DDGD	
O=C(NN=C1CCC[C@H](C(F)F)C1)[C@H]1CN2CCC[C@H]2CO1	1549321353	RSJDLBIBKNVNER-WCFLWFBJSA-N	315.364	1.777	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@@H]1C=NNC(=O)c1cccnc1	1552448477	SIROBDVHRDYMJM-OCCSQVGLSA-N	313.361	1.699	50	20	DDGD	
CC[C@H](C)C[C@H](N)C(=O)NNC(=O)c1cc(OC)cc(OC)c1	1576984581	ZDXXTMOCVJQQDS-HZMBPMFUSA-N	323.393	1.228	50	20	DDGD	
COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)CC2CC2)C1	1842771091	VCAKMTNMFRAILB-GFCCVEGCSA-N	314.813	1.244	50	20	DDGD	
C[C@H](CN)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)CCl	1847435726	QVSOMBWXCLOKON-WOPDTQHZSA-N	315.845	1.048	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)[C@@H]2CCCS2)C1	1846719150	GWJRQHHRIZYOIJ-UWVGGRQHSA-N	320.817	1.620	50	20	DDGD	
CC(C)OCC(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2	1841127717	NTECEGWFFLTXBJ-LLVKDONJSA-N	306.765	1.149	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)C1(C)COC1)C2	1845162599	CXBBJCAIZFVZFD-LLVKDONJSA-N	314.813	1.244	50	20	DDGD	
CCCCS(=O)(=O)/C(C#N)=C/c1ccccc1-c1nn[nH]n1	1590611312	MCWRQGARGJECAS-FMIVXFBMSA-N	317.374	1.946	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C12CC(C(=O)O)(C1)C2)c1ccccc1	1594736794	OKCWATQAIXTONY-AXOLYNHLSA-N	316.357	1.583	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(/C=C/C(=O)O)o2)n1	1599679881	MOJUKZCPRFPVBO-SOFGYWHQSA-N	303.274	1.538	50	20	DDGD	
C[C@H](CCN(C)C)NC(=O)NNc1ccc(C(=O)O)c(F)c1	1592513639	HZEOTWJNJGXROD-SECBINFHSA-N	312.345	1.490	50	20	DDGD	
O=C(C[C@@H](C(=O)O)c1ccccc1)NNC(=O)c1ccccc1	13255543	WXXIAMIFRMGCQX-CQSZACIVSA-N	312.325	1.706	50	20	DDGD	
CCNC(=O)NNC(=O)Cc1cccc(OC(F)(F)F)c1	163043299	CTENOLUWGPKWPA-UHFFFAOYSA-N	305.256	1.478	50	20	DDGD	
O=C(NNC(=O)C1[C@@H]2CCC[C@@H]12)c1cc(-c2cccs2)n[nH]1	151100570	DWCNZWOLTUULKC-RKDXNWHRSA-N	316.386	1.945	50	20	DDGD	
O=C(CCC1CCCC1)NNC(=O)C(=O)Nc1ccccn1	151810448	IXFFZDNBAUJLOT-UHFFFAOYSA-N	304.350	1.138	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cc(C)c3ccccc3n2)[nH]n1	153088611	USAJCWGAWBNVTC-UHFFFAOYSA-N	309.329	1.650	50	20	DDGD	
O=C(NNc1ccccc1F)C(=O)Nc1cnc(C2CC2)nc1	155609408	SAKXTHXQBDDJBM-UHFFFAOYSA-N	315.308	1.575	50	20	DDGD	
CN(c1ccccc1NC(=O)NNC(=O)CCO)C1CCCC1	156212019	QRALTCNGJREHCV-UHFFFAOYSA-N	320.393	1.601	50	20	DDGD	
Cn1cc(/C=C\C(=O)NNC(=O)Cc2ccc(Cl)cc2)cn1	209783599	KPHYGOSNPBMMAV-DAXSKMNVSA-N	318.764	1.477	50	20	DDGD	
ICCN1CCC[C@@H](C2OCCO2)C1	190860241	BGFYTHHXHDOIJC-SECBINFHSA-N	311.163	1.506	50	20	DDGD	
CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N2CC=C(C#N)CC2)C1	492722152	FWDDDTWCSDGKIB-ZDUSSCGKSA-N	317.389	1.926	50	20	DDGD	
Cc1ccc(OCC(=O)N2CCN(C(=O)CCl)CC2)cc1	2456393	GHZTYKGOLXOFNI-UHFFFAOYSA-N	310.781	1.283	50	20	DDGD	
CSc1cc(C(=O)NNC(=O)c2cccc(C#N)c2)ccn1	103401063	FZQCOUQLRQASSG-UHFFFAOYSA-N	312.354	1.750	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)COc1ccc2c(c1)CCC2	8301958	FFBCWPOKTUIFDV-UHFFFAOYSA-N	321.446	1.848	50	20	DDGD	
Cc1cccc(C)c1OCC(=O)NNC(=O)NCc1ccco1	9960839	IGIBDSSHCNUFHH-UHFFFAOYSA-N	317.345	1.806	50	20	DDGD	
N#Cc1cccc(NC(=O)NNc2ccc(-n3cccn3)nn2)c1	55328218	OYLCZELAVMIWSR-UHFFFAOYSA-N	320.316	1.683	50	20	DDGD	
C[C@H](CC(=O)NNC(=O)c1ccc[nH]1)C(=O)c1cccc(F)c1	173691792	NAGNMPKMWUBLEK-SNVBAGLBSA-N	317.320	1.824	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)Cc2n[nH]c3ccccc23)c1	103436873	QOGRADCQBJBESG-UHFFFAOYSA-N	319.324	1.438	50	20	DDGD	
CS(=O)(=O)CCNC(=O)NNc1ccc(Cl)c(F)c1	175451953	GPCDCIDCHLVVCQ-UHFFFAOYSA-N	309.750	1.150	50	20	DDGD	
CCCN(CCc1cccc(F)c1)CC(=O)NNC(=O)C1CC1	113266383	LROOBZUYHPKSNR-UHFFFAOYSA-N	321.396	1.638	50	20	DDGD	
COc1cccc([C@@H](C)C(=O)NNC(=O)Cc2cccnc2)c1	171510359	CLKJLKPZZGYYEF-GFCCVEGCSA-N	313.357	1.584	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2scnc2C(C)(C)C)cn1	176861770	CHDMZPXWPPTWRS-UHFFFAOYSA-N	307.379	1.249	50	20	DDGD	
Cc1ccc(NNC(=O)N[C@H](C)c2nnc3ccccn23)nn1	171553262	JVTLJSMBJWAVGJ-SNVBAGLBSA-N	312.337	1.215	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2	119380037	XDLUTQFNRKJMPH-TUAOUCFPSA-N	309.410	1.711	50	20	DDGD	
COc1cc(CCC(=O)NNC(=O)NCC2CC2)cc(OC)c1	65193004	RZOXSARHWZUSOA-UHFFFAOYSA-N	321.377	1.377	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cc(Cl)ccn2)nc1	179799326	CLLVETQBZDAAJN-UHFFFAOYSA-N	306.709	1.674	50	20	DDGD	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNc1ccc(Cl)nn1	118499699	HRCWWWQNWSYYJG-SECBINFHSA-N	317.736	1.912	50	20	DDGD	
O=C(CSCc1cccnc1)NNc1nccnc1Cl	114893385	HZTWGLAPBQDZEN-UHFFFAOYSA-N	309.782	1.902	50	20	DDGD	
O=C(CCC1CCOCC1)NNc1nc(-c2ccncc2)no1	172981534	NJMJHMKXUMATSA-UHFFFAOYSA-N	317.349	1.782	50	20	DDGD	
CCC1(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)CCC1	177612579	QIRIERAIEZBMNF-UHFFFAOYSA-N	314.345	1.264	50	20	DDGD	
CCN(CC)CCSCC(=O)NNC(=O)c1ccc(C)o1	84373585	WPVWUCPCNCFMKL-UHFFFAOYSA-N	313.423	1.424	50	20	DDGD	
C[C@H](OC[C@H]1CCCO1)C(=O)NNc1cccc([N+](=O)[O-])c1	178841377	QVNNHBKFLXYZKY-GXFFZTMASA-N	309.322	1.622	50	20	DDGD	
COc1cccc(CC(=O)NNc2nc(C)cc(OC)n2)c1	174500810	RDOXPUGVKQQZKN-UHFFFAOYSA-N	302.334	1.488	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)NC1CCCC1	31026160	WOQYWXBPWMPMKV-UHFFFAOYSA-N	322.321	1.247	50	20	DDGD	
Cc1cccc(NC(=O)NNC(=O)Cn2nc(C)cc2C)n1	125022571	VDFZDBAMVCGAQC-UHFFFAOYSA-N	302.338	1.056	50	20	DDGD	
CN1C(=O)CCc2cc(C(=O)NNC(=O)c3cccnc3)ccc21	121854675	YWCRACNPRYBZCR-UHFFFAOYSA-N	324.340	1.065	50	20	DDGD	
O=C(CO)NNC(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1	182755457	AYMDSHFKIMGPTB-UHFFFAOYSA-N	324.258	1.524	50	20	DDGD	
C[C@@H]1CN(C(=O)NNC(=O)c2cc3ccccc3o2)CCO1	78347168	QDWXVQZTRYHDBN-SNVBAGLBSA-N	303.318	1.508	50	20	DDGD	
CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)CBr	126654031	FYFOQRMZQXKWFG-UHFFFAOYSA-N	322.180	1.529	50	20	DDGD	
CN(C)c1nc2sc(C(=O)NNc3cccnn3)cc2s1	77033839	BHLYLZIPEFVEGG-UHFFFAOYSA-N	320.403	1.971	50	20	DDGD	
O=C(NNc1cccc(F)c1)C(=O)Nc1cccnc1Cl	120860118	UYMFHZADQPQREW-UHFFFAOYSA-N	308.700	1.956	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1ccccc1)c1cccc2ncccc12	73455582	QEEMPTPOHXGEEQ-INIZCTEOSA-N	321.336	1.729	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1	132767460	JVSLNPXGRSIJOD-HNNXBMFYSA-N	312.325	1.460	50	20	DDGD	
CC(=O)Nc1ccc(F)c(C(=O)NNC(=O)c2ccc(C)o2)c1	84292001	YRJVKIKORHJMBS-UHFFFAOYSA-N	319.292	1.760	50	20	DDGD	
N#C/C(=C\c1nccn1-c1ccccc1)S(=O)(=O)NC1CC1	195309117	DEZHLWBKSRFQJS-GXDHUFHOSA-N	314.370	1.819	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cccnc2OCC(F)F)n1	132323114	SNUBWHOMAUZXJL-UHFFFAOYSA-N	323.303	1.889	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)C1(c2ccccc2)CCC1	81025800	OZENXTNMZZCDRC-UHFFFAOYSA-N	309.369	1.893	50	20	DDGD	
CCOC(=O)C[C@H](C)NC(=O)/C(C#N)=C\c1ccc(O)cc1	194750784	MYVGUMGFVXAYFA-KWJWQAOWSA-N	302.330	1.757	50	20	DDGD	
ICCN1CCC[C@@H](Cn2ccnn2)C1	191005142	IOKGFTRHRDJREY-SNVBAGLBSA-N	320.178	1.425	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCOC1)c1ccc(Cl)cc1Cl	194629790	VBDKPTYUJRRAIR-SSDOTTSWSA-N	303.145	1.791	50	20	DDGD	
O=C(Cc1coc(-c2ccccc2)n1)NNC(=O)c1ccc[nH]1	96982875	SVNXOWNJUQAZRY-UHFFFAOYSA-N	310.313	1.673	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NCCOc1ccc(Cl)cn1	268544910	LUMCEGHAIONQAW-UHFFFAOYSA-N	314.773	1.490	50	20	DDGD	
COc1cc(/C=C/C(=O)NNC(=O)C2CCC2)cc(OC)c1	264658482	CTRGEMKKHIBYON-VOTSOKGWSA-N	304.346	1.665	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)[C@@H]1CCCN1C1CCCC1	269611493	BDVKEKNOIFFEQT-HNNXBMFYSA-N	316.405	1.179	50	20	DDGD	
CC(C)=CCCNC(=O)NNC(=O)COCc1ccccc1	276595752	BRDAWQUYDYHRJD-UHFFFAOYSA-N	305.378	1.890	50	20	DDGD	
C[C@]1(C(=O)NNc2cccc(S(C)(=O)=O)c2)CCCOC1	272868785	WGADVWDDJANTFE-AWEZNQCLSA-N	312.391	1.350	50	20	DDGD	
COc1ccc(C(=O)C(=O)NNC(=O)CC(C)C)cc1Cl	274213412	NELCTOOXOVFBNA-UHFFFAOYSA-N	312.753	1.725	50	20	DDGD	
CN(NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)C(N)=O	272189620	NEFUQEWXUHJIGO-UHFFFAOYSA-N	317.324	1.155	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)[C@@H]2CSCCS2)n1	273457526	IDWUPXCSJHHFMT-YFKPBYRVSA-N	305.816	1.004	50	20	DDGD	
CCC(=O)c1cccc(NC(=O)C(=O)NNC(=O)C2CCC2)c1	274135805	WNCRGCMMUYVXEV-UHFFFAOYSA-N	317.345	1.165	50	20	DDGD	
COC[C@H](CNC(=O)NNc1c(F)cccc1Cl)OC	274509542	KNSVQIJBNPOKKE-QMMMGPOBSA-N	305.737	1.767	50	20	DDGD	
O=C(NNC(=O)c1cccc2ncccc12)NC1CC(F)(F)C1	277366975	BMZUURRTTGHOAE-UHFFFAOYSA-N	320.299	1.977	50	20	DDGD	
CSSCCNC(=O)N[C@H]1CCO[C@]2(CCOC2)C1	376876899	XFBBRLVUBHEMPH-CMPLNLGQSA-N	306.453	1.635	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1nc(C(C)C)oc1C	285817913	NETJWOSDDQNTOE-UHFFFAOYSA-N	316.452	1.578	50	20	DDGD	
CC[C@@](C)(C#N)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	284905979	HMPFLIICXWJOLE-HNNXBMFYSA-N	302.334	1.021	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H]1CCc2cn[nH]c2C1	281168353	IRTSJQQEHOLBBJ-NSHDSACASA-N	313.361	1.676	50	20	DDGD	
O=C1CC[C@H](NC(=O)NNc2c(F)cccc2F)C2(CCC2)N1	282973391	PAROKGRJACHYEO-NSHDSACASA-N	324.331	1.792	50	20	DDGD	
O=C(NCc1nnc2n1CCOC2)NNc1ccccc1Cl	372956112	OUAYXSUTLRIOKG-UHFFFAOYSA-N	322.756	1.288	50	20	DDGD	
Cc1ncc2n1CC[C@@H](C(=O)NNc1ccc(Cl)nn1)C2	377926763	YJYRGGMRNIENTA-SECBINFHSA-N	306.757	1.341	50	20	DDGD	
COC(=O)N(C)NC(=O)Cn1cc(-c2ccccc2)c(C)n1	286466168	UEYUSKMXGCGTML-UHFFFAOYSA-N	302.334	1.588	50	20	DDGD	
CC(=O)OC(C)(C)C(=O)NNc1ccc2c(O)nccc2c1	285598138	FQTBFCIDWBVBMU-UHFFFAOYSA-N	303.318	1.725	50	20	DDGD	
CSCCCN(C)CC(=O)NNC(=O)c1ccc(F)cc1	281236798	CSHCYKGAMGYCRR-UHFFFAOYSA-N	313.398	1.272	50	20	DDGD	
CC(C)(C)n1nccc1NC(=O)NNC(=O)[C@@H]1CCCCO1	296845655	LEAYEYWSGTZSGW-JTQLQIEISA-N	309.370	1.360	50	20	DDGD	
O=C(NNc1cccnc1Cl)[C@@H]1COCCN1CC(F)F	807033497	RQIYIOOBLQWAOT-VIFPVBQESA-N	320.727	1.144	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NCCCOC(F)F	801071760	USTJEBWIKYBXEJ-UHFFFAOYSA-N	319.283	1.328	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cnn1CC(C)C	293769215	AOFMEBAAYSFTGA-GWCFXTLKSA-N	308.382	1.176	50	20	DDGD	
N#C/C=C/CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O	298425912	WUSMFSGDJCVLKL-LAQIPUCWSA-N	310.357	1.263	50	20	DDGD	
CNC(=O)N1CCN(CCO[Si](C)(C)C(C)(C)C)CC1	808737076	IRZMRQQMKPTFLH-UHFFFAOYSA-N	301.507	1.965	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1	298578033	DUZCGKYMRVQNRI-NXEZZACHSA-N	323.353	1.088	50	20	DDGD	
CCOC1(C)CCN(C(=O)NNC(=O)c2cccc(C)n2)CC1	293358209	MDNKIORASJIFHV-UHFFFAOYSA-N	320.393	1.635	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1ccnn1-c1ccccc1	802022461	ADWMVRUJJPUHEY-UHFFFAOYSA-N	322.328	1.156	50	20	DDGD	
COCC1(C(=O)NNc2ccc([N+](=O)[O-])cc2C)CCOCC1	290920937	NVPSGZIHBFVODS-UHFFFAOYSA-N	323.349	1.790	50	20	DDGD	
Cc1c(C(=O)NNC(=O)C2CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]	299549390	VVLMXAIJWWBCSS-UHFFFAOYSA-N	322.277	1.291	50	20	DDGD	
Cc1ccc2c(c1)CC[C@H](C(=O)NNC(=O)[C@H]1CCCCO1)O2	295558378	MNVPHWOGVONIJS-HUUCEWRRSA-N	318.373	1.405	50	20	DDGD	
N#C/C(=C/c1ccc(O)c(C(=O)O)c1)S(=O)(=O)NC1CC1	809156200	FCKIGINJCAYHDP-YHYXMXQVSA-N	308.315	1.037	50	20	DDGD	
CC(=O)Nc1ccc(CNC(=O)NNc2cccc(F)n2)cn1	805387375	DUIFWGXOKFZLMG-UHFFFAOYSA-N	318.312	1.400	50	20	DDGD	
C[C@H]1CCCC[C@@H]1C(=O)NNC(=O)COc1ccc(C#N)cc1	819004227	LGDOTMHJUQLLKK-WFASDCNBSA-N	315.373	1.911	50	20	DDGD	
COc1cnc(C(=O)NNc2ccc(OC(F)F)cc2)nc1	815855222	JTCVRRAXXKHMCY-UHFFFAOYSA-N	310.260	1.844	50	20	DDGD	
O=C(COc1ccccc1O)NNC(=O)c1ncccc1Cl	814112951	RTDSYVFGEYILRQ-UHFFFAOYSA-N	321.720	1.281	50	20	DDGD	
CCNC(=O)NNC(=O)c1cc(Br)c(C)s1	819164451	QTEMXCUZMREDEE-UHFFFAOYSA-N	306.185	1.783	50	20	DDGD	
CC(C)C[C@H](CCC(=O)NN(C)C1CC1)C(=O)NN(C)C1CC1	819649268	MSECDNBXUVMXGO-ZDUSSCGKSA-N	324.469	1.680	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)c2cccc3ncccc23)c(C)o1	814313960	SAVKAGCJTFUVBM-UHFFFAOYSA-N	310.313	1.914	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1cccc2cc[nH]c12	814826625	DDSWBQGADUCYLO-UHFFFAOYSA-N	310.313	1.641	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=S)NC2CCC2)cc1C	814191892	OVHOGYVJCVAOEO-UHFFFAOYSA-N	307.419	1.730	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NCCOC(=O)C1CC1	819673855	QRXHCSWPICDSIN-VIFPVBQESA-N	306.200	1.865	50	20	DDGD	
O=C(NNC(=O)c1cccc2cccnc12)NOC/C=C\Cl	811871360	RUSQISAZNGGARG-CLTKARDFSA-N	320.736	1.863	50	20	DDGD	
C[C@@H](CNC(=O)NNc1ncncc1F)Oc1ccc(F)cc1	814306981	PBQRXTXRUYNWBR-VIFPVBQESA-N	323.303	1.848	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NN=C2CCS(=O)(=O)CC2)c1	814718999	UHRQHAUQZAMWSC-UHFFFAOYSA-N	324.402	1.363	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NN=C2CCN(C)C2=O)c1	814991264	CIFKKHBLIHAZCP-UHFFFAOYSA-N	310.741	1.688	50	20	DDGD	
O=C(CCc1cncnc1)NNc1ccc(C(F)(F)F)cn1	816173086	QWKSENPMAJXPLD-UHFFFAOYSA-N	311.267	1.966	50	20	DDGD	
N#Cc1cccc(C(=O)NNC(=O)c2c[nH]c(C(F)(F)F)c2)c1	815399347	RWFTUMLNJMBMRM-UHFFFAOYSA-N	322.246	1.980	50	20	DDGD	
CC(C)C[C@@H](CNC(=O)NNC(=O)c1ccccc1)C(=O)O	818625219	XVTVBNMUCHWKJS-LBPRGKRZSA-N	307.350	1.378	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=Cc1ncc(Cl)s1	814827091	UJEPNXUYYJFBOS-UHFFFAOYSA-N	312.738	1.270	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=S)NCC1CCC1	727270661	OLVLTUPXVLANMP-UHFFFAOYSA-N	321.446	1.923	50	20	DDGD	
COC(=O)c1ccc(C)c(NC(=O)NNc2ncncc2F)c1	813842421	VZGBGPIZSMLOBT-UHFFFAOYSA-N	319.296	1.859	50	20	DDGD	
Cc1cc(NNC(=O)c2cccc(CN(C)C)c2)nc(N)n1	828371641	MMIUKBMIWMPADD-UHFFFAOYSA-N	300.366	1.186	50	20	DDGD	
COc1ccc(NNC(=O)CCCNC(=O)O)c([N+](=O)[O-])c1	829482968	BRFKFDZNHRBHED-UHFFFAOYSA-N	312.282	1.094	50	20	DDGD	
CCOc1cc(C=NNC(=O)CN(C)C)ccc1OC(F)F	727649498	KFUJNJABIDFXAY-UHFFFAOYSA-N	315.320	1.698	50	20	DDGD	
CNC(=O)/C(C#N)=C\c1ccc(OC)c(O)c1Br	490877518	MFYFQBPHJDCZHP-YVMONPNESA-N	311.135	1.816	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCCO3)nn1	491173280	CEXZIDHTDVJLOX-POHAHGRESA-N	311.301	1.132	50	20	DDGD	
CN(NC(=O)c1cccc(-n2cccn2)n1)C(=O)OC(C)(C)C	497059165	SSQGACRXSWTYJK-UHFFFAOYSA-N	317.349	1.779	50	20	DDGD	
CN(C)C1(C(=O)NNC(=O)Cc2cccc3ccccc23)CC1	820191214	SFEPENZYTJIPAG-UHFFFAOYSA-N	311.385	1.624	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCc1cccc(OC(C)(C)C)n1	823946983	QMCHVPPAAOCQGB-GFCCVEGCSA-N	309.410	1.535	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN(C)CCc1ccc(Cl)cc1	827820874	HQLANWKJJRICFE-UHFFFAOYSA-N	311.813	1.618	50	20	DDGD	
CSc1nc(C)c(CCC(=O)NN(C)[C@H](C)CO)c(C)n1	823982906	GUUGMJXSQDLJOP-SECBINFHSA-N	312.439	1.092	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)/C=C\[C@H]2CCOC2)cc1	493078191	DJXBQFSHJUPEQS-IRBQFCFKSA-N	320.414	1.827	50	20	DDGD	
COc1ccc(C)cc1CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	825595208	OXTHDGXLQDTRAX-YPMHNXCESA-N	321.377	1.259	50	20	DDGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)N=S(C)(C)=O)c1C	824462588	RMTHJTALYYZBQX-ZROIWOOFSA-N	323.418	1.913	50	20	DDGD	
Cc1cc(C)c(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(C)c1	825807326	BSRDWUYSAXMWQR-UONOGXRCSA-N	319.405	1.867	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)n1	822208989	POJCXUSABBCDNF-UHIISALHSA-N	306.410	1.720	50	20	DDGD	
CC(C)[C@@H]1C[C@H](C(=O)NNC(=O)c2cccc(F)n2)CCO1	826695961	SJJQVKARLFKXFY-PWSUYJOCSA-N	309.341	1.433	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CCCc2sccc21	826923969	YQQSLHIBXMHMRZ-JBLDHEPKSA-N	323.418	1.881	50	20	DDGD	
CC(C)(C)Oc1ccccc1CNCc1ccccc1B(O)O	585027698	YAONRZIPWPTKLV-UHFFFAOYSA-N	313.206	1.834	50	20	DDGD	
CC(C)NC(=O)NNC(=O)C1(CNC(=O)OC(C)(C)C)CC1	495430862	ZVDMUXLHUPGSNX-UHFFFAOYSA-N	314.386	1.030	50	20	DDGD	
CCn1cc(C(=O)NNc2ccc(Br)nc2)cn1	734016244	MSUSMXRWDZKNBV-UHFFFAOYSA-N	310.155	1.817	50	20	DDGD	
CCCNC(=O)NNC(=O)/C=C(\C)Cc1ccccc1OC	730215017	AWXKFLQHTDEDKK-VAWYXSNFSA-N	305.378	1.924	50	20	DDGD	
Cc1ncccc1C=NNC(=O)c1cccc(-c2nn[nH]n2)c1	737501087	HXKFUEFVJVHZRD-UHFFFAOYSA-N	307.317	1.334	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H]2CO[C@H](C)C2)cc1F	828439578	HUZBSPPQUFEOPI-SCZZXKLOSA-N	311.313	1.416	50	20	DDGD	
CCN(CCCNCc1ccc(B(O)O)o1)C1CCCCC1	585045817	MYOTWOGQHMNILH-UHFFFAOYSA-N	308.231	1.094	50	20	DDGD	
Cc1nn(C)c(C)c1CC(=O)NNc1cnnc2ccccc12	733808993	QXTDOCLVZPYTJK-UHFFFAOYSA-N	310.361	1.666	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1ccnn1CC1CCC1	901179635	KLFODSHWQMZBLQ-UHFFFAOYSA-N	305.382	1.449	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2nn(C)c(=O)c3ccccc23)[C@H](C)O1	834926088	GXJQDMNOIDTEGY-UWVGGRQHSA-N	314.345	1.217	50	20	DDGD	
C=CCC1(NC(=O)c2cc(B(O)O)ccc2F)CCCCC1	584996503	JHKUASYKWGWIPS-UHFFFAOYSA-N	305.158	1.514	50	20	DDGD	
C[C@H]1[C@H](C(=O)NNc2ccncn2)CCN1C(=O)OC(C)(C)C	495869415	OLQBJUGKDYSWFH-WDEREUQCSA-N	321.381	1.565	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@H]2CCC[C@@H]3C[C@H]23)c1	838774620	OEQGDTJZATUKNI-SNPRPXQTSA-N	317.389	1.893	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cnc2c(F)cccc2c1	833236081	PGLKIMKBSXJKRY-CYBMUJFWSA-N	317.320	1.704	50	20	DDGD	
CC(CS(C)(=O)=O)=NNC(=O)c1ccc2ccccc2n1	732526975	BOLLOZDIMCGDGQ-UHFFFAOYSA-N	305.359	1.385	50	20	DDGD	
O=C(NNc1ccccc1)NC1CCN(C[C@H]2CCCO2)CC1	734280289	JZISOXCIDWNJNM-MRXNPFEDSA-N	318.421	1.956	50	20	DDGD	
C=CCCCCC(C)=NNC(=O)N[C@H]1CCS(=O)(=O)C1	834943929	IRBIEVXORCSNGU-LBPRGKRZSA-N	301.412	1.595	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1F	831281734	YDMIYSNGWMHDCA-WPRPVWTQSA-N	311.313	1.412	50	20	DDGD	
CCn1cc(C=NNC(=O)[C@@H](C)Oc2ccccc2F)cn1	732527825	KRWIEWZEQUSQEP-LLVKDONJSA-N	304.325	1.960	50	20	DDGD	
CO[C@H](C=NNC(=O)c1cccc(N(C)C)c1)C1CCOCC1	834923868	FIDXNJSBFCCEFZ-MRXNPFEDSA-N	319.405	1.910	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCCC2(CCCCCC2)C1	584956325	VPHNRPAAIRJMDM-UHFFFAOYSA-N	315.222	1.943	50	20	DDGD	
COC(=O)[C@@H]1C[C@H](O)CN(/C(=C\C#N)c2ccc(F)cc2)C1	830872015	QYIKVRQCWWFIGU-GMXAZVLFSA-N	304.321	1.546	50	20	DDGD	
O=C1CC[C@@H](CC(=O)NNC(=O)CCCc2ccccc2)CN1	836600413	UJPXVRUFEQZNNK-AWEZNQCLSA-N	317.389	1.073	50	20	DDGD	
O=C(NC[C@H]1CCCc2ccccc21)c1ccc(B(O)O)cc1	584927836	YIVHZPOHASNMDT-OAHLLOKOSA-N	309.174	1.216	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)[C@]1(Cl)C[C@H]2CC[C@H]1O2	907405486	BOCRQVDPYSSCRD-XXFPWJFMSA-N	302.161	1.529	50	20	DDGD	
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CC[C@H](B(O)O)C1	585076813	ZPMMQODUZNFIAC-QWRGUYRKSA-N	311.574	1.491	50	20	DDGD	
O=C(NNC(=O)[C@]1(Cl)C[C@H]2CC[C@H]1O2)c1ccccc1F	905089002	CGDASWAOMYPDTI-UGQGEIBHSA-N	312.728	1.516	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1csc2cncn12	733886229	JAAKQEYGZSSDJU-UHFFFAOYSA-N	300.343	1.779	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNC(=O)c1ccc(Cl)cc1O	839556512	YZQZRQNLGMPDRH-NSHDSACASA-N	300.742	1.622	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)CCCN(C)C(=O)O)cc1	737256624	RZGGXKXTJPQEMU-UHFFFAOYSA-N	307.350	1.400	50	20	DDGD	
C[C@H](C(=O)NNC(=O)CN(C)C)c1c(Cl)cccc1Cl	733359206	HJDMOYPNFLUEFJ-QMMMGPOBSA-N	318.204	1.806	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@H]1CCC[C@H]1c1ccccc1	838646689	VYKNFDYOOYUMJY-CABCVRRESA-N	319.405	1.937	50	20	DDGD	
COCCN(C)NC(=O)c1cccc(Nc2ccc(C)nn2)c1	837622918	FHIKVLPDMZAUON-UHFFFAOYSA-N	315.377	1.752	50	20	DDGD	
CC(C)[C@H](NCc1ccc(B(O)O)cc1)c1nc(C2CC2)no1	585032243	DJTKIGLYEXNWPU-AWEZNQCLSA-N	315.182	1.114	50	20	DDGD	
O=C(CSCc1cscn1)NNC(=O)[C@H]1CCCCO1	833247053	XVPOUJYEZKMPSH-SNVBAGLBSA-N	315.420	1.093	50	20	DDGD	
O=C(NNc1ccc(Br)nc1)c1cc[n+]([O-])cc1	732835973	FLVVIOMREJAPQI-UHFFFAOYSA-N	309.123	1.234	50	20	DDGD	
COC(=O)CN(CCc1ccccc1)S(=O)(=O)CCl	831049460	XOTDHVCYNXUBDK-UHFFFAOYSA-N	305.783	1.230	50	20	DDGD	
CN(C)N(C(=O)C1=CCC(C)(C)CC1)[C@H]1CCS(=O)(=O)C1	836789106	HHESOXGRBRONEE-ZDUSSCGKSA-N	314.451	1.615	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)Sc1nc(C)nc(C)c1C#N	731905719	CJJQLSVGLJWRCY-QMMMGPOBSA-N	307.379	1.003	50	20	DDGD	
CCO[C@@H]1COC[C@H]1NC(=O)NNc1cc(Cl)ccn1	836650883	WJFBHXYGQDVRNQ-NXEZZACHSA-N	300.746	1.165	50	20	DDGD	
O=C1Nc2ccccc2[C@]12CCN(S(=O)(=O)CCl)C2	831159329	TWHCNMVDGUXLPQ-GFCCVEGCSA-N	300.767	1.108	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccccc1OC(F)F	833255981	JXCZGZHZEKVADK-NSHDSACASA-N	314.288	1.618	50	20	DDGD	
CCSc1cccnc1C(=O)NNC(=O)[C@H]1CCCCO1	833236557	SRHTVCVWXSEQJD-SNVBAGLBSA-N	309.391	1.524	50	20	DDGD	
Cc1cc(Br)ccc1NNC(=O)CCn1cncn1	748748674	PZWNAPSFGRGYFM-UHFFFAOYSA-N	324.182	1.882	50	20	DDGD	
O=C(NCCC1CC1)NNC(=O)c1cnn(-c2ccccc2)c1	743609545	YBGDZQRYBKTEAT-UHFFFAOYSA-N	313.361	1.616	50	20	DDGD	
CN(C)c1nccc(NNC(=O)CCc2ccc(C#N)cc2)n1	740104326	HWEVACKMVVNNHI-UHFFFAOYSA-N	310.361	1.490	50	20	DDGD	
COc1ccnc(NNC(=O)[C@@H]2CCO[C@H]2c2ccncc2)n1	845182163	NRHOGTPFRYRXSY-YPMHNXCESA-N	315.333	1.101	50	20	DDGD	
O=C(CC1CCCCC1)NCC(=O)NNC(=O)C1CCCC1	748711477	JYXFZWLJYOKIGV-UHFFFAOYSA-N	309.410	1.411	50	20	DDGD	
Cc1ccn(-c2ccc(C(=O)NNc3nccn(C)c3=O)cc2)n1	747941374	BDWQKRGMKOHPHL-UHFFFAOYSA-N	324.344	1.031	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@@]1(C)C[C@@H]1Br)C1CC1	912160030	KFLGVWXLTNBPII-RASWFIQWSA-N	320.256	1.454	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cn3ccc(C)cc3n2)c(O)c1	918340679	BBACYEYGFROXPV-UHFFFAOYSA-N	324.340	1.732	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)c2cc(C)nn2C)cc1	846372287	RAJMUHTZYWAUHN-UHFFFAOYSA-N	302.334	1.201	50	20	DDGD	
CC(C)(C)CC(=O)NNS(=O)(=O)[C@@H]1C[C@H]1c1ccccc1	840912610	KLGWJNCAUHZVBU-QWHCGFSZSA-N	310.419	1.929	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)NCCC[C@@H]1CCCN1	842001590	ASWFDYCJKLMTRS-HNNXBMFYSA-N	318.421	1.482	50	20	DDGD	
COc1ccc(C(C)(C)C)cc1NC(=O)NNC(=O)CCCN	841010693	ZXBYMUAOGCTNJF-UHFFFAOYSA-N	322.409	1.884	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cc3ccccc3nc2O)n1	916343212	QKUJYFITCRHQOX-UHFFFAOYSA-N	323.356	1.904	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cc(F)c(C(F)(F)F)c(F)c1	910151580	CVGHVTPUZJOWCO-ZCFIWIBFSA-N	312.238	1.941	50	20	DDGD	
Cc1c(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cccc1[N+](=O)[O-]	843642220	WFIJYYRCCKGCTC-GXSJLCMTSA-N	307.306	1.089	50	20	DDGD	
Cc1nn(C)c2ncc(C=NNC(=O)[C@H]3CCO[C@@H]3C)cc12	842559660	WVMJRHXIRYSNNM-PWSUYJOCSA-N	301.350	1.152	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(Cl)cc(Cl)n1	843663055	VBZBIQXIXWCYIQ-SVRRBLITSA-N	318.160	1.574	50	20	DDGD	
CC(=O)NN=C(C)c1ccc(S(=O)(=O)CC(F)F)cc1	741758212	YWGJQDNUZIRUQT-UHFFFAOYSA-N	304.318	1.586	50	20	DDGD	
CCC(CC)(CO)C(=O)NNc1ccc(S(C)(=O)=O)cc1	847602048	QERSYVCCIOSCGM-UHFFFAOYSA-N	314.407	1.332	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@H]2COCCO2)cc1C	745173062	DLSIOYCZNCHEAI-GFCCVEGCSA-N	309.391	1.036	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cccc(Br)c1	744812535	NSKUSSSACCZORV-UHFFFAOYSA-N	312.167	1.424	50	20	DDGD	
COc1ccccc1NCC(=O)NN=Cc1ccc(C(=O)O)[nH]1	749812246	KJSPWXTZDKAOKC-UHFFFAOYSA-N	316.317	1.284	50	20	DDGD	
Cc1c(NNC(=O)COc2cccnc2)cccc1[N+](=O)[O-]	748665935	KZXTUFRJKFVEJE-UHFFFAOYSA-N	302.290	1.820	50	20	DDGD	
CC(C[C@@H]1CCCC(=O)N1)=NNC(=O)c1ccc(C)cc1O	841617937	AOXRBVKLZFHPBO-LBPRGKRZSA-N	303.362	1.865	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C1(O)CCOCC1	840545756	NNOKSBPAPZODFW-UHFFFAOYSA-N	314.773	1.238	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@@H]2CC[C@H](CN)C2)cc1F	842010600	JUIALATXLRHTDK-VHSXEESVSA-N	324.356	1.366	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNc1ncc(Br)cn1	848321881	HNPGIIGWVHSPHH-LKEWCRSYSA-N	315.171	1.496	50	20	DDGD	
CC[C@H](C)C(=O)NNS(=O)(=O)Cc1cccc(Cl)c1	848449548	QBKCGDRJJWMIME-VIFPVBQESA-N	304.799	1.837	50	20	DDGD	
C[C@@H](C(=O)NNc1nc2ccccc2[nH]1)C(=O)OC(C)(C)C	840873017	LHLYZGXXJMBZQG-VIFPVBQESA-N	304.350	1.984	50	20	DDGD	
CO[C@]1(C)CC(=NNC(=O)CNC(=O)c2ccco2)C1(C)C	746577931	XHQYGJSHJTZVKC-OAHLLOKOSA-N	307.350	1.317	50	20	DDGD	
CCO[C@@]1(C(=O)NN=C2CCCN3CCCC[C@@H]23)CCOC1	848412824	CXOSMOMMISHAHP-HOCLYGCPSA-N	309.410	1.303	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1ccn2c(C)cnc2c1	847642480	GRYAFGNPFVMFIQ-UHFFFAOYSA-N	323.447	1.115	50	20	DDGD	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1ccc(CO)cc1	920211735	UFZOTXXSWABCBJ-UHFFFAOYSA-N	309.325	1.735	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC[C@H](N)C(C)C)cc1F	841944374	GHVXTSGOKKNRFE-LBPRGKRZSA-N	312.345	1.222	50	20	DDGD	
NS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1C[C@H]1C1CCC1	846643950	TYISOCMUGXGUEU-WDEREUQCSA-N	309.391	1.213	50	20	DDGD	
CC[C@@H](C#N)C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	845075886	DIPWULJLFMYCIX-VIFPVBQESA-N	321.333	1.023	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H](C)OCC(C)C	920804948	GDNNJSRPVMKVNZ-LBPRGKRZSA-N	318.377	1.465	50	20	DDGD	
C[C@H](Cc1cnc[nH]1)C(=O)NNC(=O)c1cccc(N(C)C)c1	847295653	NLGVUVQQEKJZBM-LLVKDONJSA-N	315.377	1.116	50	20	DDGD	
C[C@H]1OC(=O)N[C@@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	841440511	WKZKQCSVCRZEKA-XRGYYRRGSA-N	304.228	1.040	50	20	DDGD	
CCOc1ccc(NNC(=O)NCCO[C@@H]2CCOC2)cc1	927522305	LGEUYNFZIFUNCE-CQSZACIVSA-N	309.366	1.517	50	20	DDGD	
C[C@H]1COC[C@H]1NC(=O)NNC(=O)Cn1ccc2ccccc21	926004168	MUUSMQGBOLCWSU-WCQYABFASA-N	316.361	1.007	50	20	DDGD	
Cc1nc2ccnn2cc1C(=O)NC[C@]1(C)C[C@@H]1Br	857386453	VEMYNVMTMHBVHK-GWCFXTLKSA-N	323.194	1.941	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)C2(OC)CCCC2)cc1	754182135	BHZMSTKKBVTVGQ-UHFFFAOYSA-N	320.389	1.734	50	20	DDGD	
C[C@H](NC(=O)NNc1ncccn1)c1ccc([S@](C)=O)cc1	756727733	VUAKSTMLUMNOLR-MGUXCZDKSA-N	319.390	1.601	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2ncc(F)cc2F)[C@@H]2CCCC[C@H]2N1	854898775	BTZWBFUEERWFOI-JBLDHEPKSA-N	324.331	1.498	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NNc1ncc(Cl)cn1	856895937	PKYIXHDNWIVCQR-GXSJLCMTSA-N	311.773	1.737	50	20	DDGD	
O=C(CC1CCCC1)NNC(=O)Nc1ccn(CC(F)F)n1	756866781	DBDVTTMVRJCECQ-UHFFFAOYSA-N	315.324	1.881	50	20	DDGD	
CN1CCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)CCC1=O	855914099	GBHCSTGHUSXHIG-JLHYYAGUSA-N	301.321	1.423	50	20	DDGD	
C[C@@]1(CNC(=O)c2cc3n(n2)CCO3)C[C@H]1Br	857388532	UGLWBKBYQSLMMO-KCJUWKMLSA-N	300.156	1.179	50	20	DDGD	
C/C=C\C(=O)NNC(=O)CCCCCNC(=O)OC(C)(C)C	855861014	LXXCCADMDLLPBJ-UITAMQMPSA-N	313.398	1.795	50	20	DDGD	
CCN(C(=O)/C(C#N)=C\c1cnn(C)c1)[C@H](CO)c1ccccc1	922084217	MUWGRMWFMPYWNQ-VHEJECIDSA-N	324.384	1.909	50	20	DDGD	
COc1cccc([C@H](OC)C(=O)NNc2nccnc2OC)c1	854951663	BFLCDBNJBDLYAK-LBPRGKRZSA-N	318.333	1.325	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)Cc2nnc(C)o2)c1C	855624862	WJKDHDCLHVNDPT-UHFFFAOYSA-N	304.306	1.159	50	20	DDGD	
Cc1nn(C)cc1[C@@H]1CCCN1CC(=O)NNC(=O)C(C)(C)C	759426899	TUVDNKPLLUYIQM-ZDUSSCGKSA-N	321.425	1.059	50	20	DDGD	
CN(CCCNC(=O)C1CCC1)C(=O)NNC(=O)C1CCCC1	759166786	MRWQQMBIOZYDBV-UHFFFAOYSA-N	324.425	1.156	50	20	DDGD	
Cc1cc(C)n(CCC(=O)NNc2ncccc2[N+](=O)[O-])n1	759302461	RYRUSBCUXDJWRP-UHFFFAOYSA-N	304.310	1.337	50	20	DDGD	
CC(=O)N[C@@H](CCC(C)C)C(=O)NNc1ccc(Cl)nn1	857130934	XVCXHTDSZGLDNZ-JTQLQIEISA-N	313.789	1.514	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCC2SCCS2)n1	852666790	WOFKCLSROSHBIJ-UHFFFAOYSA-N	315.424	1.226	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(Cl)ccc1SC	756228854	WVZUDOXSXWQQJN-UHFFFAOYSA-N	303.771	1.861	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1coc(C(N)=O)c1	759727505	WROOHEBKFLZEBH-UHFFFAOYSA-N	306.230	1.515	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ccc2nsnc2c1	855089144	DNESHBOEYVPZMC-UHFFFAOYSA-N	321.431	1.600	50	20	DDGD	
Cn1cc(CC(=O)OC[C@@H](CBr)C2CC2)cn1	859535976	STOBIOOOXJWMET-LLVKDONJSA-N	301.184	1.927	50	20	DDGD	
C#CC[C@@H](CCOC)NC(=O)NNC(=O)Cc1ccc(F)cc1	859025836	BVSKHNIELSWDRX-AWEZNQCLSA-N	321.352	1.127	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)NCCc1ccoc1	852560438	WAJIHYQBBVGGHF-UHFFFAOYSA-N	301.346	1.704	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2ccc(O)c(F)c2)n1	857459243	GQYQRBPQZYZBEI-UHFFFAOYSA-N	306.297	1.324	50	20	DDGD	
C[C@@H](C[S@](C)=O)NC(=O)NNc1ccc([N+](=O)[O-])cc1F	853981929	QUNMLOJTKZZPTD-SGWXMTNESA-N	318.330	1.127	50	20	DDGD	
COc1cc(C)cnc1C(=O)NNC(=O)OCC(F)(F)F	856020661	OMTZHGCZYDJJCZ-UHFFFAOYSA-N	307.228	1.332	50	20	DDGD	
C[C@@]1(CNC(=O)c2nc[nH]c3nccc2-3)C[C@@H]1Br	857390399	XXMCOHMBWOKKQM-UFBFGSQYSA-N	309.167	1.813	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)C1(CCOC)CCC1	854282655	PCVVOOJLUZMBBA-UHFFFAOYSA-N	317.455	1.067	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1cc2c(C)cccc2[nH]1	853315048	QTPKGWRSMWLVQW-LBPRGKRZSA-N	303.362	1.978	50	20	DDGD	
Cc1ccnn1-c1ccccc1NC(=O)NNC(=O)C(C)C	753019677	LCYBQDOTJTVKBC-UHFFFAOYSA-N	301.350	1.989	50	20	DDGD	
COC(=O)[C@@H]1CN(S(=O)(=O)CC(C)(C)CCl)C[C@H]1C	867439568	VMMUTPHNGGQWKV-NXEZZACHSA-N	311.831	1.322	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cccc([C@@H]2CCOC2)c1	761383808	HWDZHWUOQBGKPC-LLVKDONJSA-N	316.279	1.904	50	20	DDGD	
COc1ccnc(NNC(=O)c2ncc(C#N)cc2Cl)n1	769478504	DULBFCGFTXOIII-UHFFFAOYSA-N	304.697	1.162	50	20	DDGD	
Cc1cc(=NNC(=O)C[C@@H](n2cccn2)C(F)(F)F)cc[nH]1	862515277	OUUNCWUCVXQDKF-LLVKDONJSA-N	313.283	1.645	50	20	DDGD	
Cc1cc(C)c(NNC(=O)[C@@H]2CN3CCCN2CC3)c(C)c1	764425339	VFVVZYMHOAKPQS-HNNXBMFYSA-N	302.422	1.445	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1ccc(OC(F)F)cn1	931528482	FTUNBWYVFPTEDS-UHFFFAOYSA-N	312.276	1.639	50	20	DDGD	
Cc1cc(C(=O)NN[C@H](C)C(F)(F)F)ccc1-n1cncn1	862311112	JPGHRMZDIGYIPA-SECBINFHSA-N	313.283	1.761	50	20	DDGD	
COc1ccc(NNC(=O)c2cncc(O)c2)c([N+](=O)[O-])c1	768331891	LEIFIYAGWFYECC-UHFFFAOYSA-N	304.262	1.461	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cc(OC)c(C#N)cc1F	861264174	AMTCDYKPPUGZKT-MRVPVSSYSA-N	308.313	1.905	50	20	DDGD	
COc1cc(NCc2ccccc2B(O)O)cc(-n2cccn2)c1	864035507	LIRFGALIBABNNE-UHFFFAOYSA-N	323.161	1.173	50	20	DDGD	
COc1cccc(NNC(=O)c2cccc(OC)c2[N+](=O)[O-])n1	768185498	RDFVUWYZFGYYRF-UHFFFAOYSA-N	318.289	1.764	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2ccccc2Br)N1	863145853	NNFIJZHZYWNUBW-JTQLQIEISA-N	310.151	1.178	50	20	DDGD	
Cc1nc([C@H]2CCOC2)sc1C(=O)NNc1ncncc1F	868540892	NBUWNZXGGQMNQD-QMMMGPOBSA-N	323.353	1.641	50	20	DDGD	
CC(C)(C(=O)NNc1ncccn1)c1ccc([N+](=O)[O-])cc1F	762577509	CBGDSUHUAXBCOC-UHFFFAOYSA-N	319.296	1.945	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)c2cnc(C(C)C)s2)n[nH]1	869013664	FQLBJIHKMRTLEA-UHFFFAOYSA-N	307.379	1.302	50	20	DDGD	
C[C@@H](NNC(=O)/C=C\CN(C)CC(F)(F)F)C(F)(F)F	862320264	HKBCZRBKKJQXMY-KFOINNEUSA-N	307.238	1.608	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@H]2[C@H]3c4ccccc4C[C@H]32)n1	863881359	AHJKCERPCQWIML-VHDGCEQUSA-N	309.373	1.572	50	20	DDGD	
O=S(=O)(Cc1ccc(Cl)nc1)NCC(Cl)Cl	867471852	VVOCTUWQHOKVNO-UHFFFAOYSA-N	303.598	1.958	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@H](C)Cn2cccn2)c1	1118858753	SXZYIQXTDRYQIA-SNVBAGLBSA-N	307.379	1.286	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1C[C@H](N)Cc2ccccc21	866772337	SHYFZKJJWFCBEQ-GFCCVEGCSA-N	316.854	1.971	50	20	DDGD	
CN(C)c1ccc2c(c1)NC(=O)C2=NNC(=O)Cc1ccncc1	761811521	ULPCDWMGDSKXLO-UHFFFAOYSA-N	323.356	1.163	50	20	DDGD	
CCCN1C(=O)C(=NNC(=O)C[N+](C)(C)C)c2cc(C)ccc21	872326798	YGSIJIJQFAESEY-UHFFFAOYSA-O	317.413	1.278	50	20	DDGD	
O=C(NNc1ccc(F)cn1)[C@@H]1COCCN1C1CCCC1	874649574	SYJWAXRVBYIECI-ZDUSSCGKSA-N	308.357	1.307	50	20	DDGD	
CCNC(=O)CC(=O)NNC(=S)Nc1c(C)cccc1CC	873854332	WVUYXIIFKXPBQX-UHFFFAOYSA-N	322.434	1.401	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)CN(CCC#N)CC(C)C)c1	777588671	LKRXTOWEJUCLOC-UHFFFAOYSA-N	316.405	1.628	50	20	DDGD	
CC[C@](C)(CC(=O)O)C(=O)NNC(=O)c1cc2c(s1)CCC2	872832300	ZQSZNJAWQUAKJI-OAHLLOKOSA-N	324.402	1.889	50	20	DDGD	
Cc1cccc2c(=O)c(C(=O)NNc3ncc(F)cn3)c[nH]c12	776183999	XLZICFKDVAJQQJ-UHFFFAOYSA-N	313.292	1.523	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@](C)(O)C(C)C)c1C	770209187	RZHUVIMTMPMTBI-CXAGYDPISA-N	322.405	1.625	50	20	DDGD	
Cc1nnc(CCC(=O)NN=c2sc3ccccc3n2C)o1	873926331	LDMYXICQAKPSSN-UHFFFAOYSA-N	317.374	1.496	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(N2CCOCC2)ccc1C	879460999	ZMNRVQFIEYFUQM-UHFFFAOYSA-N	322.409	1.446	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)Cn2ccc(C)n2)c(C)c1	873761222	UXYYSCPNTUGIIF-UHFFFAOYSA-N	317.418	1.826	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@H]1CCC[C@H](C(C)(C)C)CC1	1116686922	QYYYCGAQQTXNMK-QWRGUYRKSA-N	313.398	1.485	50	20	DDGD	
COC(=O)N(C)NC(=O)NCCc1nn(C)c2ccccc12	875503135	NBRVMBOZHMODEJ-UHFFFAOYSA-N	305.338	1.028	50	20	DDGD	
O=C(NNc1ccc2ccccc2n1)c1ccc2nnc(O)n2c1	777466959	PDULQWLBLGPHMQ-UHFFFAOYSA-N	320.312	1.740	50	20	DDGD	
CCC(=O)N[C@@H](C)C(=O)NNc1nc2ccccc2cc1C	777482775	QSZKPHMUBQXNCC-NSHDSACASA-N	300.362	1.901	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C1C(C)(C)C1(C)C	772166168	PZXBFHVSGSWGBI-JTQLQIEISA-N	312.410	1.794	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc([S@](C)=O)c(F)c1	878813943	BCZXVAOITOJHML-FQEVSTJZSA-N	303.359	1.178	50	20	DDGD	
COC(=O)CNC(=O)NN=C(C)c1oc2ccccc2c1C	779822215	BEZBGZRDFHSVAS-UHFFFAOYSA-N	303.318	1.937	50	20	DDGD	
COCC1(C(=O)NNC(=O)Cc2ccc3ccccc3c2)CC1	779175587	JVVNSAYMULLAHH-UHFFFAOYSA-N	312.369	1.956	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)Nc2ccc(C)c(C)c2)n(C)n1	873764522	GDLQFLJLCCVQMD-UHFFFAOYSA-N	317.418	1.977	50	20	DDGD	
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCCCSC#N)C1	773585199	FMBYSALUEZEDHH-OLZOCXBDSA-N	311.451	1.992	50	20	DDGD	
COCCOCC(=O)NN=C1CCSc2c(F)cccc21	872402699	AKJDLGQBSJMJOA-UHFFFAOYSA-N	312.366	1.805	50	20	DDGD	
C/C=C/C(=O)NNC(=O)COc1ccc(Br)cc1	871047123	VIRNSQNTAYWVSW-NSCUHMNNSA-N	313.151	1.551	50	20	DDGD	
CCCC[C@@H](CC)C(=O)NNc1nc(O)c2cnn(C)c2n1	770981647	ZPFKXGOYLSQVLU-SECBINFHSA-N	306.370	1.728	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)[C@H]1C[C@H]1c1cccc(F)c1	882678606	FDTTYHUOWAJSNL-RYUDHWBXSA-N	314.382	1.678	50	20	DDGD	
Cn1ccc2ccc(C(=O)NNC(=O)C3CCOCC3)cc21	883072473	NIIZCABJGIOFCQ-UHFFFAOYSA-N	301.346	1.366	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)CSc1ccccc1O)C(C)C	771440837	XTUDNLVBXKBASR-ZDUSSCGKSA-N	312.391	1.303	50	20	DDGD	
CCC(C)(C)NC(=S)NNC(=O)CCN1CCCCCC1	774151316	XRLMYZINCMBWET-UHFFFAOYSA-N	314.499	1.936	50	20	DDGD	
CCOC(=O)N(C)CCCC(=O)NNC(=O)c1ccccc1	887599163	VWQUQYRHCAKSOZ-UHFFFAOYSA-N	307.350	1.316	50	20	DDGD	
O=C(CNC(=O)c1ccc(F)cc1)NNc1ncncc1Cl	781819746	JYAUYLNZYLFZJQ-UHFFFAOYSA-N	323.715	1.142	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NNc1ccc(Cl)cc1F	885108017	USMIMQAJCGVFPI-SNVBAGLBSA-N	315.776	1.891	50	20	DDGD	
CC(C)CC(=O)N1CCCC[C@@H]1C(=O)NNc1ncccn1	1123590946	XEXHKWGPFFJWQT-GFCCVEGCSA-N	305.382	1.347	50	20	DDGD	
O=C(C[C@H]1CCS(=O)(=O)C1)NNc1c(F)cc(F)cc1F	885149127	LKAQWXHJYSONOC-SSDOTTSWSA-N	322.308	1.372	50	20	DDGD	
CC(=O)N1CCC[C@@H](C(=O)NNc2c(F)cc(F)cc2F)C1	885149713	ZJZFEMZQZYGXRI-SECBINFHSA-N	315.295	1.806	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NNc1ccc(C#N)cn1	888949736	PERFEJCDAYGALM-JSGCOSHPSA-N	301.350	1.561	50	20	DDGD	
O=S(=O)(CCl)N1Cc2ccccc2N2CCC[C@@H]2C1	882826631	KKQLTZSDPRWXQE-GFCCVEGCSA-N	300.811	1.997	50	20	DDGD	
O=C(NNC(=O)[C@H](O)C1CCCCC1)c1c[nH]c2ccccc12	783514347	PEABRFIFJFLHJM-OAHLLOKOSA-N	315.373	1.870	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1sccc1Cl	782171243	UEZPJSYVGDAFMU-SNVBAGLBSA-N	315.826	1.820	50	20	DDGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NC[C@@H](O)c1ccncc1	787469394	VCYYDBUGEJZBNF-SCZPIIQISA-N	309.325	1.544	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCc1nccn1C	1123921966	ROYXTZCQASOPNW-UHFFFAOYSA-N	309.801	1.445	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(-c2ccco2)nn1C(C)C	788832084	JZOCCYJTZJQEGK-UHFFFAOYSA-N	321.337	1.523	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Cc1nc(C(C)C)c(C)s1	789935354	IGTRPNAHIYLNOI-UHFFFAOYSA-N	321.406	1.610	50	20	DDGD	
COc1ccc(NNC(=O)COc2cccc(OC)c2)nc1	781516782	XSCVKILRIIPPTP-UHFFFAOYSA-N	303.318	1.621	50	20	DDGD	
Cc1[nH]c2ccc(F)cc2c1C=NNC(=O)C(=O)NC(C)C	782225728	ZJQHLVKCFDMYNE-UHFFFAOYSA-N	304.325	1.590	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)Nc1ccc(C(F)(F)F)nn1	788296807	JXGBSFFBCUMMFC-UHFFFAOYSA-N	317.271	1.838	50	20	DDGD	
COc1ccccc1C(=O)NNS(=O)(=O)c1ccc(C)nc1	795316133	KDDVMKDGINZTBY-UHFFFAOYSA-N	321.358	1.022	50	20	DDGD	
COCCn1cc(C(=O)NCCSSC)ccc1=O	791152123	IRTHRPMNZXVBQR-UHFFFAOYSA-N	302.421	1.236	50	20	DDGD	
CCCC[C@H](S[C@H](C)C(=O)NNC(=O)CC)C(=O)OC	794451385	UYUUBBKYWOMQLD-ZJUUUORDSA-N	304.412	1.397	50	20	DDGD	
C[C@@H]1CC[C@H](CNC(=O)NNC(=O)COCc2ccccc2)C1	792954964	ROXKWVTYWKOAHD-HIFRSBDPSA-N	319.405	1.970	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCc2ccn(C(C)C)n2)n1	792954288	FBFGYRXFMYPBCT-UHFFFAOYSA-N	316.365	1.312	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)c1[nH]ccc1C	797788528	WABIBZOMZIINLR-UHFFFAOYSA-N	303.318	1.172	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2c3c(nn2C)CCCC3)n1	794084265	BXFXCNPOJOJUGA-UHFFFAOYSA-N	313.361	1.077	50	20	DDGD	
CC[C@@H](C)CC[C@@H](O)CC(=O)NNC(=S)NCCSC	793763583	DLNOINADMPQIQH-GHMZBOCLSA-N	321.512	1.422	50	20	DDGD	
COc1cc(O)ccc1C=NNC(=O)c1n[nH]c2c1CCCC2	1317742136	YUCHWBUDGOHZPD-UHFFFAOYSA-N	314.345	1.767	50	20	DDGD	
CC1(C)C[C@@H](NC(=O)NNc2nncc(N)c2Cl)CCO1	1320287922	KFQQGKOMUHGFDE-ZETCQYMHSA-N	314.777	1.296	50	20	DDGD	
O=C(C[n+]1ccccc1)NN=Cc1ccc(OCC2CC2)cc1	1321539964	HFXKYWHIDKAGHW-UHFFFAOYSA-O	310.377	1.913	50	20	DDGD	
CCn1c(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc2ccccc21	1328550122	AVTDOENOZJJMRY-DGCLKSJQSA-N	315.373	1.847	50	20	DDGD	
O=C(NNc1cccc(F)n1)c1cc2c(nc1O)CCCC2=O	1322521312	QBCNJJMAPZYFHX-UHFFFAOYSA-N	316.292	1.597	50	20	DDGD	
CC(=O)N[C@@H](CC(=O)NNc1ccncn1)c1ccc(C)cc1	1325246683	FLTJYEQYBVQXAG-AWEZNQCLSA-N	313.361	1.496	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCC(F)(F)F)c(C)n1C1CC1	1326978218	IRKNCAVRZJDOBZ-UHFFFAOYSA-N	318.299	1.946	50	20	DDGD	
C=CCCOCC(=O)NNc1cncc(Br)c1	1320252038	DVOLMSVWDDZYAY-UHFFFAOYSA-N	300.156	1.880	50	20	DDGD	
CCC(C)(C)N[C@H](C)C(=O)NNC(=O)c1ccc(OC)cc1	1321462051	IYXMTKQGHNYGHL-LLVKDONJSA-N	307.394	1.623	50	20	DDGD	
Cn1ccc(NNC(=O)[C@H]2CCCCN2Cc2cccnc2)n1	1326194681	WRWHHJHGHMQPBB-CQSZACIVSA-N	314.393	1.313	50	20	DDGD	
C[C@H](OCc1ccncc1)C(=O)NNC(=O)NC1CCCC1	1330305187	SVEAIQDEANIQLX-NSHDSACASA-N	306.366	1.260	50	20	DDGD	
C[C@@H](C#N)Oc1ccc(C=NNC(=O)C2CCOCC2)cc1	1331361023	OJBVWAOOHCKORE-LBPRGKRZSA-N	301.346	1.854	50	20	DDGD	
C[C@H](CBr)CN1CCC2(CC1)CCN(C)C2=O	773925735	SBWMGKJGJLUUPH-LLVKDONJSA-N	303.244	1.962	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1	1332594031	UYPDZCFNXCEYII-RYUDHWBXSA-N	322.390	1.602	50	20	DDGD	
C=C[C@@H](COC)NC(=O)NN=c1sc2ccccc2n1C	1255012963	DHYOMFXWQLSRAT-JTQLQIEISA-N	306.391	1.556	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NC/C=C\C2CC2)cc1	1330866101	YQKRIVDNGOKUOH-IHWYPQMZSA-N	303.362	1.670	50	20	DDGD	
C[C@@H]1Nc2ccnn2[C@@H](C)[C@@H]1CCC(=O)NNC(=O)C1CCC1	1345933434	YIQJRMGLZDGLPR-GMXVVIOVSA-N	319.409	1.602	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)C[C@H]2CCC(=O)[C@@H]2C)cc1	1344414536	AGRKQTAISKYLEU-ZYHUDNBSSA-N	304.346	1.462	50	20	DDGD	
CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C2CCC(Cl)CC2)O1	1263773398	SADWMJDLHJVCQX-TYUFSLCMSA-N	316.829	1.536	50	20	DDGD	
C[C@@]1(C(=O)NCc2cccc(O)c2O)C[C@H]1Br	1263894291	ADAXWUHNUPWSJZ-BXKDBHETSA-N	300.152	1.888	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@H]2CCN2C2CCCC2)c1Cl	1352218112	XKZJAPKHBMZTFY-SNVBAGLBSA-N	310.789	1.172	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2ccsc2)o1	1609106393	VFJOKVGYIRDLBK-UHFFFAOYSA-N	319.350	1.797	50	20	DDGD	
O=C(O)C1(C(=O)NNc2ccc(OCC(F)(F)F)cc2)CC1	1601702207	DJVNGCSBYVSHHK-UHFFFAOYSA-N	318.251	1.936	50	20	DDGD	
CCOC(=O)/C(C#N)=C\c1c(F)cc(-c2nn[nH]n2)cc1F	1609231695	RLCPFXJTASCVLM-BAQGIRSFSA-N	305.244	1.615	50	20	DDGD	
COc1c(NC(=O)NNC(=O)c2ccc[nH]2)cccc1C(=O)O	1607034527	GVPYGFLVCFHGMK-UHFFFAOYSA-N	318.289	1.188	50	20	DDGD	
CCC[C@H](CNC(=O)NNc1ccc(F)c(C(=O)O)c1)OC	1605214240	JXEXWIZKAXDKKS-SNVBAGLBSA-N	313.329	1.965	50	20	DDGD	
Cc1cc(C(F)F)n(CC(=O)NNc2cccc(C(=O)O)c2)n1	1607610735	UAAOFNCCCAACCT-UHFFFAOYSA-N	324.287	1.971	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)[C@@H]2CCc3nccn3C2)c(F)c1	1602385441	VRWIKLOQUXXIBW-SNVBAGLBSA-N	318.308	1.426	50	20	DDGD	
O=C(Oc1ccc([N+](=O)[O-])c(C(=O)O)c1)c1ncc(Cl)cn1	1602621983	VRRMULDEAHIZNO-UHFFFAOYSA-N	323.648	1.956	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CCC(CCC(=O)O)CC2)cn1	1600945602	HYBZNAGXMAQWHV-RIYZIHGNSA-N	316.361	1.430	50	20	DDGD	
O=C(O)/C=C\c1cc(C(=O)NNc2ncncc2Cl)co1	1606065407	ZNWZIOKUQLAIQG-UPHRSURJSA-N	308.681	1.578	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@]2(C(=O)O)C[C@H]2c2ccccc2)cc[nH]1	1607695617	KAKSLOZAZUFFGQ-WMLDXEAASA-N	311.341	1.514	50	20	DDGD	
Cc1ccnc(N2C[C@H]3[C@H](Br)[C@H]3C2)c1-c1nn[nH]n1	1605955726	XEUSKYGLNMIHBD-MBTKJCJQSA-N	321.182	1.400	50	20	DDGD	
CO[C@](C)(CNC(=O)NNc1cccc(C(=O)O)c1)C1CC1	1610230441	IVTVCOYUMGCKPZ-OAHLLOKOSA-N	307.350	1.826	50	20	DDGD	
CCOC(=O)/C(C#N)=C\Nc1nc(C(C)(C)C(=O)O)cs1	1610010300	CDOBOFBAURPNIQ-VURMDHGXSA-N	309.347	1.888	50	20	DDGD	
Cc1oc(CNC(=O)NNC(=O)c2ccccc2)cc1C(=O)O	1610585950	YZQSBPYCZVZYGZ-UHFFFAOYSA-N	317.301	1.430	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)OC)C2	1800077392	KQFFRXVFOXTMRM-IEECTRCBSA-N	316.829	1.677	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@H]1C(=O)NN=Cc1cccnc1	1549309102	KWVVPGZPVGEDNC-KGLIPLIRSA-N	313.361	1.433	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@@H]1C=NNC(=O)c1ccncc1	1552448214	RGUNJPQMOJIDOE-HIFRSBDPSA-N	313.361	1.699	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CC[C@H]3CCN[C@H]2C3)c1	1579832739	UOZPWFAJNRXFQC-TUAOUCFPSA-N	322.434	1.531	50	20	DDGD	
CC(C)C[C@@H](N)CC(=O)NNC(=O)c1cn(C)c2ccccc12	1575631284	ILERAKYRVRSTGA-GFCCVEGCSA-N	316.405	1.703	50	20	DDGD	
CN(N)C(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C	1573882345	FIMDCADBFIMCSO-CYBMUJFWSA-N	305.378	1.681	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)C2=CC[C@H](N)C2)c1	1579673209	YNYKIYZOACZKME-LBPRGKRZSA-N	304.419	1.669	50	20	DDGD	
COCC[C@H]1CNCCN1C[C@@H](CBr)C1CC1	1579011651	AUWCRCSYTKJPQP-OLZOCXBDSA-N	305.260	1.718	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)cc(C)c1C(=O)NNc1ccncn1	1580612757	YROAMOCIHQQZMP-UHFFFAOYSA-N	310.321	1.030	50	20	DDGD	
CO[C@H](C)C(=O)N1CC2(CCCN2C(=O)C(C)(C)CCl)C1	1841227518	ORSGELBPTBJSAI-LLVKDONJSA-N	316.829	1.490	50	20	DDGD	
N[C@@H](CCNC(=O)NNc1cccnn1)Cc1ccccc1	1580127865	OFSUWFUCNVESJI-ZDUSSCGKSA-N	300.366	1.063	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1C[C@@H](C(=O)O)C[C@@H](O)C1	1589700128	UCKFXWZYJZQALB-DJLDLDEBSA-N	322.199	1.090	50	20	DDGD	
C[C@@]1(C(=O)N2CC3(CCCN3C(=O)[C@@H](F)Cl)C2)CC1(F)F	1843367677	VTTGLKUJJVCUCL-KCJUWKMLSA-N	324.730	1.770	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cc(C)[nH]n1)C2	1845165698	AWCFPFXOVWQLPA-NSHDSACASA-N	324.812	1.553	50	20	DDGD	
C[C@H]1CCCN1CCNC(=O)NNc1ccc(CC(=O)O)cc1	1594387827	OTVZPGPZKURPAK-LBPRGKRZSA-N	320.393	1.424	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H](C(=O)O)C(C)(C)C)cc1	1593635488	SIUHTGAHYMOASO-LBPRGKRZSA-N	306.362	1.757	50	20	DDGD	
CCn1ncc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1C	1590967181	PYWSNTKZNPWIMZ-UHFFFAOYSA-N	312.337	1.148	50	20	DDGD	
O=C(O)C1(C(=O)NNc2ccc(Br)nc2)CCC1	1594864448	CBXMJQNJTAZEHH-UHFFFAOYSA-N	314.139	1.542	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)NCc1ccc(CC(=O)O)cc1	1591213960	KBOFHPWLXSSNBF-UHFFFAOYSA-N	321.377	1.580	50	20	DDGD	
Cc1cc(C(=O)O)cc(C(=O)NNc2ncncc2Cl)c1	1594288600	ZHXCORXAPHMMLF-UHFFFAOYSA-N	306.709	1.894	50	20	DDGD	
CC(C)(CCNC(=O)NNc1ncncc1Cl)C(=O)O	1590679487	PWZFETRRENQDQJ-UHFFFAOYSA-N	301.734	1.257	50	20	DDGD	
CC(C)(C)OC(=O)NC[C@](C)(O)CI	158591185	MMKDFIAFTHEGFI-SECBINFHSA-N	315.151	1.697	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)[C@@H]1CCCO1)c1ccccc1F	158933073	RSPMMCDOVDHXEA-ZDUSSCGKSA-N	323.368	1.613	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cc(C)nc(Cl)c1	160841514	POPVDZYUQUPUHA-UHFFFAOYSA-N	318.855	1.515	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)C(C2CC2)C2CC2)c1	163460575	XLRZGQXOCSPDLQ-UHFFFAOYSA-N	301.390	1.950	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(NC(C)C)nc2)[nH]n1	151195908	OWXFEPOVQAMTCK-UHFFFAOYSA-N	302.338	1.008	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@@H](C)OC2CCCCCC2)[nH]n1	153002309	BXFDUPNAEDWAIJ-LLVKDONJSA-N	308.382	1.607	50	20	DDGD	
C[C@@](O)(CNC(=O)NNC(=O)c1ccccc1)c1cccs1	153501710	RHDWSKUHZGFYHH-OAHLLOKOSA-N	319.386	1.600	50	20	DDGD	
C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(B(O)O)cc1	584941381	ISZUNDYLIINOFF-CQSZACIVSA-N	323.201	1.807	50	20	DDGD	
Cc1nc(CC(=O)NNC(=S)NC2CCCCC2)cs1	7640255	QINIWKOYRPJJKT-UHFFFAOYSA-N	312.464	1.822	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(C)c(F)c2)n1	7961704	VUEKRJVKMCBQRO-UHFFFAOYSA-N	304.325	1.409	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@@H]2CCC[C@@H]2C)c1	104817946	GFMZOLJMTKYTNZ-GXTWGEPZSA-N	305.378	1.893	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1cccc(Cn2cccn2)c1	55010901	BICFFBGUOORFPO-VBKFSLOCSA-N	310.357	1.992	50	20	DDGD	
C[C@@H](NC=C(C#N)C#N)c1ccc(OCC(=O)NC2CC2)cc1	55007966	VQGMUTUZNXBZAD-GFCCVEGCSA-N	310.357	1.926	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N(C)CCn2cccn2)cc(C#N)n1C	171880484	FURUMYRERLSNRG-OQLLNIDSSA-N	322.372	1.467	50	20	DDGD	
CCCN1CC[C@H](CNC(=O)NNC(=O)c2ccccc2O)C1	54806287	QOTVTVZXHAQVHR-GFCCVEGCSA-N	320.393	1.068	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCC(F)(F)F)c1	54091187	LGOMAYODZRWOBB-UHFFFAOYSA-N	305.256	1.267	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1cc(C)no1	24629456	PVNGXLCEKHLPGW-UHFFFAOYSA-N	309.709	1.720	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)NCC(F)(F)F)c1[N+](=O)[O-]	60411642	LEVBMORKRYGFHO-UHFFFAOYSA-N	320.227	1.410	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1nccnc1Cl)N1CCCC1=O	114895538	PCXMLKBTVLCSJZ-JTQLQIEISA-N	311.773	1.220	50	20	DDGD	
Cc1ccc(N2CCCC2)c(C(=O)NNC(=O)[C@@H]2CCCO2)c1	116727410	OCHRDPBXXGBUNH-HNNXBMFYSA-N	317.389	1.535	50	20	DDGD	
C[C@H]1CC[C@@H](CCC(=O)NNC(=O)c2ccc(C#N)cc2)O1	175791312	IFGBXBNZDWFHKT-FZMZJTMJSA-N	301.346	1.667	50	20	DDGD	
Cc1nn(C)cc1[C@@H](C)NC(=O)NNc1cncc(Cl)n1	172598394	HGGQWLFPVFSYCO-SSDOTTSWSA-N	309.761	1.559	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCOC1)c1cc(-c2ccccc2)on1	66942442	JZNHXTZMXCXSAD-LLVKDONJSA-N	301.302	1.139	50	20	DDGD	
COC1(C(=O)NNC(=O)c2ccc(C)cc2O)CCCCC1	188518106	HJLSUIAKQFMBTO-UHFFFAOYSA-N	306.362	1.811	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)Nc2ccc([S@](C)=O)cc2)o1	186161268	PYJDLPPLDKFQLG-QFIPXVFZSA-N	321.358	1.792	50	20	DDGD	
O=C(NCCC1Cc2ccccc2C1)NNC(=O)[C@@H]1CCCO1	127314887	HWYZXVVDZHOWFB-HNNXBMFYSA-N	317.389	1.301	50	20	DDGD	
COCc1cccc(CC(=O)NNc2nccc(OC)n2)c1	188186386	HZCUCJBWSROAPX-UHFFFAOYSA-N	302.334	1.317	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccccc2)ccc1C(N)=O	181885167	BZZGFIIGJFAEMA-UHFFFAOYSA-N	312.329	1.560	50	20	DDGD	
CCc1nnsc1C(=O)NNC(=O)c1cccc(N(C)C)c1	30062743	OBBJEIBPDLCPFH-UHFFFAOYSA-N	319.390	1.241	50	20	DDGD	
CCc1cccc(NC(=O)C(=O)NNc2cccc(OC)n2)c1	181517663	CXHSMNDWSDXPGM-UHFFFAOYSA-N	314.345	1.734	50	20	DDGD	
C[C@](O)(CC(=O)NNC(=O)NC1CCCCC1)c1ccccc1	181771199	QBNJOTDLYMMFAO-KRWDZBQOSA-N	319.405	1.947	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc(C(F)(F)F)nc1	139357310	AXBPJHMXVHMBKJ-UHFFFAOYSA-N	302.256	1.454	50	20	DDGD	
CC1=C(C(=O)NNC(=O)CCc2ccccc2O)CCCO1	131533862	LXPLNJSLTMZPFD-UHFFFAOYSA-N	304.346	1.557	50	20	DDGD	
CO[C@@H](C)CC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	195427988	RUWRCNXAWDRUFE-AAEUAGOBSA-N	308.378	1.643	50	20	DDGD	
CCOc1ccc(CC(=O)NNC(=S)N[C@@H](C)C2CC2)cc1	83676409	SRXUKAUQOGENGZ-NSHDSACASA-N	321.446	1.922	50	20	DDGD	
COCc1ccccc1NC(=O)C(=O)NNc1ccnc(F)c1	190305044	LYJMQIZOHPSGCS-UHFFFAOYSA-N	318.308	1.449	50	20	DDGD	
N#CCC(=O)NNC(=O)NCc1cccc(C(F)(F)F)c1	133805609	RZOUKCNWSAQWEF-UHFFFAOYSA-N	300.240	1.449	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NC1CCSCC1	195475853	AWYGXOXALABKMM-UHFFFAOYSA-N	311.382	1.594	50	20	DDGD	
C[C@H](CCc1ccco1)NC(=O)NNC(=O)Cc1ccncc1	266996115	XQJDJROXYISOFJ-GFCCVEGCSA-N	316.361	1.569	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)c3cn(C)cn3)cc2C1	269156776	VKHQHKBKTRGDLB-VIFPVBQESA-N	318.402	1.681	50	20	DDGD	
CCc1[nH]nc(C(=O)NNc2nc(C)cc(C)n2)c1[N+](=O)[O-]	263724413	YTUVTUMIEYHEHC-UHFFFAOYSA-N	305.298	1.044	50	20	DDGD	
O=C(NNS(=O)(=O)c1ccc2ccccc2c1)C1CCC1	264711080	GLAURLCFYUWWQP-UHFFFAOYSA-N	304.371	1.949	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)Cc1ccccc1F)[C@H]1CCCCO1	271937220	AOKZYAUZNCUODR-SMDDNHRTSA-N	323.368	1.656	50	20	DDGD	
C[C@@H]1Oc2ccc(NC(=O)NNC(=O)C(C)(C)C)cc2NC1=O	271212553	AFHSROXUOCMRTM-QMMMGPOBSA-N	320.349	1.605	50	20	DDGD	
Cc1ccccc1C(=O)NNS(=O)(=O)CCCCCl	274949371	SLEXRVIQQCKICM-UHFFFAOYSA-N	304.799	1.578	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)CC2(OC)CCC2)nc1C	276908018	WUIBRDUCIXOHNZ-UHFFFAOYSA-N	322.365	1.364	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)NCCCn2ccnc2)c1	272697893	XOEBPNRQBJKRMG-UHFFFAOYSA-N	317.349	1.386	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2	366845060	DCULDWRURJEKEP-GMTAPVOTSA-N	311.382	1.683	50	20	DDGD	
COC(=O)c1ccc(F)c(NC(=O)NNC(=O)C2CCC2)c1	272326901	JKLJBHWAVASSGP-UHFFFAOYSA-N	309.297	1.565	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CC#N)ccc1OCCC(C)C	274586398	GNATXICDEJFEEX-UHFFFAOYSA-N	319.361	1.795	50	20	DDGD	
CC(C)[C@H]1C[C@H](CC(=O)NNC(=O)c2cccnc2)CCO1	273206303	OVBACPAOIZXGKQ-TZMCWYRMSA-N	305.378	1.684	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1C(=O)NNc1ccc(C(F)(F)F)nn1	279810329	JIQCDNDGLGBUGM-LDYMZIIASA-N	316.283	1.920	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1	279439139	BATAOPOUNNFKPO-CYBMUJFWSA-N	314.345	1.796	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)C(C)(C)NC(=O)C(F)(F)F	277106933	DBVPQGIYENICFA-UHFFFAOYSA-N	311.304	1.027	50	20	DDGD	
C=CCCCCNC(=O)NNC(=O)COc1ccccc1F	274669010	QTKYKQPEVBUJFY-UHFFFAOYSA-N	309.341	1.891	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)[C@@H]1Cc2cc(F)ccc2O1	374005931	MVCWUTYCZRQZIG-VIFPVBQESA-N	321.230	1.022	50	20	DDGD	
CC(C)(C)OC(=O)NCCCCNC(=O)NNc1ncccn1	272987661	PQKQBQXWGKPCHV-UHFFFAOYSA-N	324.385	1.408	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@H]1CCN(CC(F)(F)F)C1	280250532	IRVHPRRWCRFRJI-QMMMGPOBSA-N	306.263	1.548	50	20	DDGD	
COC(=O)N(C)NC(=O)C1(c2ccc(C)cc2)CCOCC1	285770226	ADMBAIJZVIDIAD-UHFFFAOYSA-N	306.362	1.773	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)C(C)(C)c2c(C)noc2C)n1	280716192	HUSHBJACZCCHAA-UHFFFAOYSA-N	316.361	1.734	50	20	DDGD	
CC(C)c1ncc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)cn1	281187127	ZWXYVVFXXQHTOR-UHFFFAOYSA-N	323.353	1.094	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cccc(OCCC(=O)O)c1	299349142	XWTIOTMCDNAXTG-UKTHLTGXSA-N	318.329	1.210	50	20	DDGD	
C[C@@H]1CSCCN1CC(=O)NNC(=O)c1ccc(F)cc1	299368917	RUODWMVJXILXAC-SNVBAGLBSA-N	311.382	1.024	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@H]2CCCC23OCCO3)c1	807062753	JXNAQLBZDYZOMX-CYBMUJFWSA-N	310.325	1.821	50	20	DDGD	
COc1cc(C)ccc1CNC(=O)NNC(=O)[C@H]1CCCCO1	296313486	FQWRNSNMNPCDSS-CYBMUJFWSA-N	321.377	1.403	50	20	DDGD	
COc1ccc(C)cc1NC(=O)NNC(=O)[C@@H]1CCCCO1	297401581	HYBKTLBOZMTJAE-ZDUSSCGKSA-N	307.350	1.725	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1cn2c(n1)CCCC2	803439963	OUAYLQRDLJXVHG-UHFFFAOYSA-N	323.356	1.818	50	20	DDGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNc1ccccc1S(C)(=O)=O	800516091	CCGIJVIGICBDTG-OPQQBVKSSA-N	312.391	1.347	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)OCCN1CCNC1=O	808537952	WMGZQMQDZZIJNS-QMMMGPOBSA-N	307.188	1.364	50	20	DDGD	
O=C(NCc1cc(F)ccc1F)NNC(=O)[C@H]1CCCCO1	296664575	OWRRIPVKZAGMIM-GFCCVEGCSA-N	313.304	1.364	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)C[C@H]2C)cc1	802061998	BNBPOMFGMUNHNS-QMTHXVAHSA-N	319.361	1.853	50	20	DDGD	
CC(C)(CCC(=O)NNC(=O)c1c[nH]c2ccccc12)[N+](=O)[O-]	294445145	SIHPXFTYNHXACK-UHFFFAOYSA-N	318.333	1.764	50	20	DDGD	
Cc1[nH]c(C=NNC(=O)Cc2ccccc2F)cc1C(=O)O	800812437	DTDKBOSRDPLLPC-UHFFFAOYSA-N	303.293	1.853	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1cccc(C(=O)N(C)C)c1	299262194	SIESIKJHFCJFHU-UHFFFAOYSA-N	306.366	1.587	50	20	DDGD	
O=C(NNC(=O)c1cnn2cccnc12)NC1CCCCC1	298198452	VZXKITPKSZRYJG-UHFFFAOYSA-N	302.338	1.006	50	20	DDGD	
CC[C@@H](CNC(=O)NNC(=O)COc1cc(C)cc(C)c1)OC	291404631	HGKBIQIFIAZXJK-ZDUSSCGKSA-N	323.393	1.438	50	20	DDGD	
CNc1nc(C)cc(C(=O)NNc2cnnc3ccccc23)n1	806858642	UVSAYBNMILYOQF-UHFFFAOYSA-N	309.333	1.527	50	20	DDGD	
Cc1cccc(O[C@@H](C)CNC(=O)NNc2ccncn2)c1	296332400	FEMPGEWYHFSFEG-LBPRGKRZSA-N	301.350	1.879	50	20	DDGD	
CC(=O)Nc1cccc(CNC(=O)NNC(=O)CC(C)C)c1	298673846	UWYSNZDZEYHXKV-UHFFFAOYSA-N	306.366	1.522	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H](C)OCCc2ccccc2)O1	295608454	NQUNFGOMDWOPCF-GUTXKFCHSA-N	320.389	1.349	50	20	DDGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc(=O)n(C)c1	805374406	LWUAYTQELRCZPE-UHFFFAOYSA-N	302.290	1.359	50	20	DDGD	
CCN(CCNC(=O)NNc1ccncn1)C(=O)OC(C)(C)C	296725198	UKIQSZGSXLDBIN-UHFFFAOYSA-N	324.385	1.360	50	20	DDGD	
CCCCN(C)C[C@H](C)NS(=O)(=O)CBr	808356468	ZVDDMWJVJWNLQE-VIFPVBQESA-N	301.250	1.379	50	20	DDGD	
COc1ccccc1-c1cc(C(=O)NN=Cc2ccn(C)n2)n[nH]1	814878259	UWKCYMWWNHDPBB-UHFFFAOYSA-N	324.344	1.583	50	20	DDGD	
CS(=O)(=O)c1cccc(C(=O)NN=C[C@H]2CCCOC2)c1	814802236	XTXOUXJRVPMWRP-LLVKDONJSA-N	310.375	1.232	50	20	DDGD	
C[C@](O)(C(=O)NNc1ccc(C(F)(F)F)nn1)C1CCC1	813498218	LMCWQDYNIFZQKQ-LLVKDONJSA-N	304.272	1.490	50	20	DDGD	
Nc1ncc2c(n1)CCCC2=NNC(=O)CCc1ccccc1	814826200	UASUNVWTJIQQOE-UHFFFAOYSA-N	309.373	1.848	50	20	DDGD	
CC(=NNC(=O)[C@H](C)Oc1ccccc1F)c1csnn1	814749112	WLBSDPDXIMHABV-VIFPVBQESA-N	308.338	1.985	50	20	DDGD	
CN(NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)C1CC1	819646008	YBHCCZOBZHWVDB-SECBINFHSA-N	309.316	1.443	50	20	DDGD	
Cc1csc2ncc(C(=O)NCCCSC#N)c(=O)n12	816540427	LAPAAGQRICKQRL-UHFFFAOYSA-N	308.388	1.399	50	20	DDGD	
C[C@H](CN1CCCCC1)C(=O)NN=Cc1cnc(N(C)C)n1C	811634996	IOAWMEHPSOSPQQ-CYBMUJFWSA-N	320.441	1.058	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncncc1F)c1c(F)cncc1F	814332857	AMOSSMONDFZHJN-ZCFIWIBFSA-N	312.255	1.676	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)CCCC2CC2)nc1C	812545448	QGCGTZLGFWCBEY-UHFFFAOYSA-N	306.366	1.985	50	20	DDGD	
CCn1cc(C=NNC(=O)CSc2ccccc2O)cn1	814970465	PQJMADQLXMYGBG-UHFFFAOYSA-N	304.375	1.851	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)[C@]1(C)CC1(F)F	817745326	BSNQWTXHLFSJHF-LBPRGKRZSA-N	321.324	1.094	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H](C)[C@@H](C)COC)c1	812536507	DZTNPRJWGRVGHL-RYUDHWBXSA-N	319.430	1.904	50	20	DDGD	
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1ccc(O)c(C)c1	728226523	RYSQRPCMKVCTGR-CYBMUJFWSA-N	319.405	1.509	50	20	DDGD	
Cc1nn(CC(C)C)c(C)c1CCC(=O)NN(C)[C@@H](C)CO	823983149	LYTABUDQCDNWEO-LBPRGKRZSA-N	310.442	1.432	50	20	DDGD	
CN(NC(=O)Nc1cccc(N2CCCNC2=O)c1)C1CC1	824211171	QNXUIFYHAZAWTH-UHFFFAOYSA-N	303.366	1.737	50	20	DDGD	
C[C@H](C(=O)NNC(=S)N[C@@H](C)C1CC1)c1cccc(O)c1	824446617	OIQHXWOUQGQIEY-UWVGGRQHSA-N	307.419	1.790	50	20	DDGD	
CCNC(=O)Nc1cccc(NC(=O)NNC(=O)OC)c1C	496904312	VLUOEYABQPKKAQ-UHFFFAOYSA-N	309.326	1.529	50	20	DDGD	
Cc1ccccc1[C@H]1C[C@@H](C)N(CC(=O)NNC(=O)C(C)C)C1	827858845	GMGHSHOHZRGKFT-CABCVRRESA-N	317.433	1.976	50	20	DDGD	
C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NNC(=O)C1CCC1	493048963	DMKIXTUOYFFHAS-SNVBAGLBSA-N	313.398	1.437	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)[C@@H]2CC2(F)F)cc1	822210394	ZWJWRFBNGPSSRI-JTQLQIEISA-N	300.330	1.890	50	20	DDGD	
CCN(CC)CCC(=O)NN=Cc1cc(-c2nn[nH]n2)cs1	821189832	VJSWFZLBWCHVDG-UHFFFAOYSA-N	321.410	1.110	50	20	DDGD	
O=C(NCc1cccc(C(=O)O)c1)NNc1ccc(Cl)nn1	821446232	CMHVLTLGVFGTEP-UHFFFAOYSA-N	321.724	1.655	50	20	DDGD	
COCC1(CCNC(=O)NNC(=O)OC(C)(C)C)CCC1	496823665	ZQQAAMHVAISGJX-UHFFFAOYSA-N	301.387	1.932	50	20	DDGD	
CCOC(=O)NNC(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C	496003051	DUBNJVHZOPXAGO-BDAKNGLRSA-N	303.359	1.313	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1cc(F)ccc1F	825937786	CAODQYBUVDLYBJ-GZMMTYOYSA-N	313.304	1.220	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccnc(-c2ccco2)c1	829557279	AJMKSYVXIRJSGH-UHFFFAOYSA-N	315.329	1.529	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1ccccc1C(=O)OC	494435975	VHUIBNFJNCPNRA-UHFFFAOYSA-N	309.322	1.053	50	20	DDGD	
CC[C@@H](CNS(=O)(=O)CCl)N1CCc2ccccc2C1	829921508	NSVQPEPOXQNQBO-AWEZNQCLSA-N	316.854	1.939	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCc2ccccc2C1	827316061	YSYMZJQSUZNZNV-RISCZKNCSA-N	303.362	1.211	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NC1CCN(c2ncccn2)CC1	824408237	LYVROXYQUNBTNS-QXMHVHEDSA-N	301.350	1.006	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCc1ccccc1F	826677381	MLVVKGVLMNNVAB-AAEUAGOBSA-N	323.368	1.514	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)OC(C)(C)C)C1CCCC1	823300308	NZPBYBBJYGWXCS-LLVKDONJSA-N	301.387	1.931	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H]2CC23CCSCC3)n1	826583908	AZIXUQLHPXBFHP-JTQLQIEISA-N	308.407	1.770	50	20	DDGD	
O=C(NNCC(F)(F)C(F)(F)F)c1cc2cccn2cn1	827492984	IFYNZKFIQPXKLS-UHFFFAOYSA-N	308.210	1.766	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)/C=C\c2cccnc2)cc1	490702069	KVHHWRQMNNZMHS-YVMONPNESA-N	322.324	1.193	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CCO[C@@H](C)C2)cc(C#N)n1C	490813337	OWEGVYMBCREXNQ-VOGIRGTESA-N	312.373	1.796	50	20	DDGD	
C[C@@]1(C(=O)N2CCC(CC(N)=O)CC2)C[C@@H]1Br	906237699	AFPZPXOUDNDLFS-JOYOIKCWSA-N	303.200	1.274	50	20	DDGD	
OB(O)c1ccc(-c2noc(C3CC4(CCOCC4)C3)n2)cc1	585051906	ONBDCUBURVZSDJ-UHFFFAOYSA-N	314.150	1.091	50	20	DDGD	
COC(=O)N(C)NS(=O)(=O)c1cnc(-c2ccccc2)nc1	496352999	WPQYLRKYJXJDIQ-UHFFFAOYSA-N	322.346	1.035	50	20	DDGD	
Cn1ncc(C(=O)NNc2cnnc3ccccc23)c1C1CC1	733810327	DRVAWESDXSCUEQ-UHFFFAOYSA-N	308.345	1.998	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]1C(=O)O)c1cc2c(s1)CCCCC2	739455225	XOSVMMYNHYLZRY-VHSXEESVSA-N	322.386	1.499	50	20	DDGD	
CCN(CCO)NC(=O)c1cc(-c2ccccc2Cl)[nH]n1	823847635	YYZBUCHFVFEDKS-UHFFFAOYSA-N	308.769	1.689	50	20	DDGD	
CC[C@H](C)Oc1cc(CN2CC[C@@H](B(O)O)C2)ccc1OC	585076221	KOQWGTMFEKODGH-GXTWGEPZSA-N	307.199	1.921	50	20	DDGD	
CNC(=O)c1ccc(CN(C2CC2)S(=O)(=O)CCl)cc1	829892603	GEZYUWPIBHUAQE-UHFFFAOYSA-N	316.810	1.537	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)c1cccc(-c2nn[nH]n2)c1	823281198	NQQRPQIUGDPSFP-UHFFFAOYSA-N	315.724	1.094	50	20	DDGD	
CC1(C)CN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccs1	584990508	XWDPGNNSZJWZSW-CQSZACIVSA-N	315.203	1.651	50	20	DDGD	
C[C@@H](CNC(=O)/C(C#N)=C/c1cnn(C)c1)CN1CCCCC1	491157942	BKYCOFVWWCCOBS-BRSWLGOBSA-N	315.421	1.565	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)NCC(F)(F)F)c(F)c1	905435430	BPUCHRLIEWGSQI-UHFFFAOYSA-N	321.230	1.808	50	20	DDGD	
O=C(CCN1CCOC1=O)NNc1ccc(C(F)(F)F)cn1	495562308	YPZKQWAPWJGIAF-UHFFFAOYSA-N	318.255	1.386	50	20	DDGD	
CC[C@]1(C(=O)NNC(=O)NC)CCCN1C(=O)OC(C)(C)C	494591186	VBZFGXDEVNPRFU-CQSZACIVSA-N	314.386	1.126	50	20	DDGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H]2CC[S@@](=O)C2)cc1	490726776	VBXYVZIPYNHTCC-FRNFSJOFSA-N	318.398	1.629	50	20	DDGD	
O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NNC(=O)NC1CCCC1	491279653	PPKQGFGUDNXOGX-YFHOEESVSA-N	318.333	1.881	50	20	DDGD	
COC(=O)N(C)NC(=O)CN(CC1CC1)C(=O)OC(C)(C)C	495629277	QDMZFXBCUDQPPR-UHFFFAOYSA-N	315.370	1.363	50	20	DDGD	
OB(O)c1ccccc1CNCCCc1ccc(Cl)s1	585036546	IKIAVTRYTHZVJY-UHFFFAOYSA-N	309.627	1.804	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)CN2[C@H](C)CC[C@H]2C)c(F)c1	837209383	LCRNPHDMVHCDNI-GHMZBOCLSA-N	323.368	1.928	50	20	DDGD	
CCCN1CCC[C@H]1C(=O)NNc1ccc(F)c(C(=O)OC)c1	837038750	XNSPFOQZHKEPDC-AWEZNQCLSA-N	323.368	1.930	50	20	DDGD	
Cn1nc2c(c1C(=O)NNC(=O)CCc1ccccc1)CCC2	906483730	OLBDPWMKAXGYHO-UHFFFAOYSA-N	312.373	1.303	50	20	DDGD	
Cn1cc(C(=O)NN=Cc2cccc(OCCCC#N)c2)cn1	735412338	XEAFUTPMPQIOHW-UHFFFAOYSA-N	311.345	1.867	50	20	DDGD	
C[C@]1(C(=O)NCCCOC2CCOCC2)C[C@@H]1Br	906791680	IBBRENSZCXAZOO-AAEUAGOBSA-N	320.227	1.862	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)O)cc1Br	738035205	YZGUNBJUYMZBLH-UHFFFAOYSA-N	304.100	1.762	50	20	DDGD	
O=C(NNS(=O)(=O)c1cccc2ccncc12)C1CCC1	901894214	OWCMNHJYLYKSPB-UHFFFAOYSA-N	305.359	1.344	50	20	DDGD	
CCS(=O)(=O)CCNC(=O)NNc1ccc(C)cc1Cl	836369606	YULYFOHZJSBUIX-UHFFFAOYSA-N	319.814	1.709	50	20	DDGD	
OB(O)c1ccc(CNc2cc(F)cc(N3CCCC3)c2)o1	585013312	QTKOVQHGOSENCB-UHFFFAOYSA-N	304.130	1.311	50	20	DDGD	
CS[C@@H]1CCCC(=NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1	901164582	RTIYLOBRMMXKEO-MWLCHTKSSA-N	304.437	1.199	50	20	DDGD	
O=C([C@@H](O)c1cc(Cl)cc(Cl)c1)N1CC[C@@H](B(O)O)C1	585063555	BZZRVWJUTPKIAK-KCJUWKMLSA-N	317.965	1.102	50	20	DDGD	
CC(C)[C@H]1CCCCCN1C(=O)c1ccc(B(O)O)c(F)c1	584972076	MNEROTIRVOLQFO-OAHLLOKOSA-N	307.174	1.546	50	20	DDGD	
COC(=O)[C@H](NNC(=O)c1ccccn1)c1cccc(Cl)c1	735506390	AHARKWKKAQEIQQ-CYBMUJFWSA-N	319.748	1.884	50	20	DDGD	
Cc1ccc(CCNC(=O)NNc2nc(C)cc(C)n2)nc1	836681750	INTAVFQYMACPCC-UHFFFAOYSA-N	300.366	1.666	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)c1ccc(NC2CC2)nc1	735688278	KBQJUZVZYNLNAP-UHFFFAOYSA-N	304.741	1.856	50	20	DDGD	
CC(C)(C)n1nnc(CC(=O)NNc2ccc([N+](=O)[O-])cc2)n1	830756943	HZKTUYXBBJHTQQ-UHFFFAOYSA-N	319.325	1.022	50	20	DDGD	
O=C(O)NNS(=O)(=O)c1cc(C(F)(F)F)ccc1F	738660098	CFOXQZOHMQXPPW-UHFFFAOYSA-N	302.205	1.305	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)c1csc([N+](=O)[O-])c1	731491360	JQOVSJGHBHJJLC-UHFFFAOYSA-N	321.314	1.740	50	20	DDGD	
O=C(c1ccc(C(F)(F)F)c(F)c1)N1CC[C@@H](B(O)O)C1	585063962	AJLNQPUVBZTKPD-MRVPVSSYSA-N	305.036	1.533	50	20	DDGD	
CC(C)N1CCN(CCCC(=O)NNc2ncccc2F)CC1	908125514	DAVJELLPTOKQTC-UHFFFAOYSA-N	323.416	1.470	50	20	DDGD	
CCn1cnnc1CCNC(=O)[C@@]1(C)C[C@H]1Br	906615513	REVUVSKDYRRRFK-KCJUWKMLSA-N	301.188	1.130	50	20	DDGD	
Cc1ccc(F)c(CCNCc2ccc(B(O)O)cc2F)c1	585044428	IHDULZONGRGCNC-UHFFFAOYSA-N	305.133	1.285	50	20	DDGD	
C=CCCO[C@H](C)C(=O)NNc1ccccc1S(C)(=O)=O	732303989	PFRWVNXEWBVOCR-LLVKDONJSA-N	312.391	1.514	50	20	DDGD	
COC[C@H](C)CNC(=O)NNC(=O)COc1ccc(C)c(C)c1	737064601	IVNJWJGFJXWBOP-LLVKDONJSA-N	323.393	1.295	50	20	DDGD	
Cc1c(C(=O)NN(C)C[C@H](C)O)cnn1-c1cccc(Cl)c1	910174509	URYVNOITLZMNSE-JTQLQIEISA-N	322.796	1.792	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@@](C)(CO)c1ccccc1	732202311	MJBBMPPIWNVOIP-DYVFJYSZSA-N	321.421	1.066	50	20	DDGD	
COC(=O)NNC(=O)Nc1ccc(OCC(=O)O)c(Cl)c1	831206664	KUBJMZNMJMLCPY-UHFFFAOYSA-N	317.685	1.196	50	20	DDGD	
CC(C)NC(=O)Nc1ccccc1C(=O)NN(C)C[C@H](C)O	910180472	VUUZRDBJFREWBW-NSHDSACASA-N	308.382	1.174	50	20	DDGD	
COc1cc(C(=O)NNC(=O)NC(C)C)cc2c1O[C@@H](C)C2	745139860	TVQSDKYTMZWVHB-VIFPVBQESA-N	307.350	1.371	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccccc1Cl)C1CCC1	744408019	SOTKGHZBGKKTKP-UHFFFAOYSA-N	309.797	1.975	50	20	DDGD	
CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)c1nc2ccccc2s1	913818044	NGWZEXABHXDJQX-PSASIEDQSA-N	307.375	1.464	50	20	DDGD	
C[C@@]1(C(=O)N[C@@H]2CCCC(F)(F)[C@H]2O)C[C@@H]1Br	910472960	YYHXAGBTLNHCAA-CHIQAWFVSA-N	312.154	1.825	50	20	DDGD	
COc1ccc(CCC(C)=NNC(=O)c2ncccn2)cc1O	841664013	DKPGECHNUQBEAC-UHFFFAOYSA-N	314.345	1.929	50	20	DDGD	
CC[C@H](C)Oc1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)ccn1	843660023	JKYLDPOSZQJUNF-LOWVWBTDSA-N	321.377	1.445	50	20	DDGD	
CC(C)Cc1ccc(CC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	843644178	ONEMACKWHBKUMQ-XJKSGUPXSA-N	318.417	2.000	50	20	DDGD	
NC(=O)N1CCC[C@@H](C(=O)NNc2ccc(F)c(F)c2F)C1	748215007	RAVHGFGASDJFRS-SSDOTTSWSA-N	316.283	1.338	50	20	DDGD	
CCCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)[C@H]1CC1(C)C	841623032	DOXJHJVDKIHYMF-NXEZZACHSA-N	303.428	1.243	50	20	DDGD	
NC(=O)NCc1ccc(C(=O)NNc2ccc(Cl)nc2)cc1	743814941	MRBJXRXYYNRJCU-UHFFFAOYSA-N	319.752	1.660	50	20	DDGD	
O=C(NNS(=O)(=O)CCc1ccccc1F)C1CCCC1	849304700	VNNQPTAZVXKVON-UHFFFAOYSA-N	314.382	1.509	50	20	DDGD	
CC(=O)NCC(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	746894806	CMYJBNFSLJBJHT-UHFFFAOYSA-N	300.240	1.156	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cc(F)c(O)c(F)c2)n1	749853758	AICBNKKMZAWLPK-UHFFFAOYSA-N	308.288	1.634	50	20	DDGD	
C[C@H](NC(=O)NNc1c(F)cc(F)cc1F)c1nncn1C	914164557	ISBQIDXHSMKUPB-LURJTMIESA-N	314.271	1.620	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1	910152855	VOHGVYOMSLMLMZ-PWSUYJOCSA-N	315.414	1.024	50	20	DDGD	
Cn1cc(NC(=O)NNC(=O)CCCN)c(C2CCCCC2)n1	841252346	BJUNUMAZZFAIFP-UHFFFAOYSA-N	322.413	1.359	50	20	DDGD	
CC[C@H](C)NC(=S)NNC(=O)CCc1ccc(OC)cc1	749770003	ZLBJARXATSUPMV-NSHDSACASA-N	309.435	1.922	50	20	DDGD	
CC[C@H](C)Oc1ccc(C(=O)NNC(=O)c2ncccn2)cc1	841350556	MTSGMOOEEXNFKF-NSHDSACASA-N	314.345	1.729	50	20	DDGD	
O=C(Cc1cn2ccccc2n1)NNC(=O)[C@H]1CC12CCCC2	747311426	RWOWNQAIVMFGMC-CYBMUJFWSA-N	312.373	1.605	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)cc2n1C	843657436	RCXMJGSPIJFVFL-JOYOIKCWSA-N	316.361	1.068	50	20	DDGD	
O=C(NNc1ccc(F)cc1Br)N[C@H]1CCNC1	841938739	HOCARUCAOAIZRU-QMMMGPOBSA-N	317.162	1.576	50	20	DDGD	
O=C(NCC[C@@]1(O)CCCOC1)NNc1ccc(F)c(F)c1	923088451	POCRVOHHCGCWMW-AWEZNQCLSA-N	315.320	1.523	50	20	DDGD	
COC1([C@H](C)NC(=O)NNC(=O)Cc2ccccc2C)CCC1	840452830	GWYPQQUTUDLHIO-ZDUSSCGKSA-N	319.405	1.826	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)[C@H]2CCO[C@H]2C)sc1C	842590313	NYSMXBSTHBXGIK-WPRPVWTQSA-N	318.420	1.099	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)CCc1ccncn1	756892597	KFZKKBDYPKLMSB-UHFFFAOYSA-N	300.318	1.339	50	20	DDGD	
CN(C[C@@H]1COCCO1)C(=O)NC[C@]1(C)C[C@@H]1Br	856894906	XHTXBOBOMHVTCI-SCVCMEIPSA-N	321.215	1.217	50	20	DDGD	
C[C@@H]1OCCN(C(=O)NC[C@]2(C)C[C@@H]2Br)[C@@H]1C	856903415	PMPINNLQQQQYEL-WDCWCFNPSA-N	305.216	1.979	50	20	DDGD	
CC[C@H](NC(=O)NNc1ccccc1S(C)(=O)=O)C1CC1	852596157	XHRGWBCRFDAJQN-NSHDSACASA-N	311.407	1.905	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2cccc3c2OCO3)nc1	759731717	ZJQCNIDBIYTADF-UHFFFAOYSA-N	315.285	1.354	50	20	DDGD	
Cc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	855005956	KVHBBUDPZBDMIC-REBRKWNGSA-N	302.374	1.671	50	20	DDGD	
CC(C)(C)N1C[C@@H](C(=O)NNc2ncccc2[N+](=O)[O-])CC1=O	759286229	WWEPCMPIGXTRHB-VIFPVBQESA-N	321.337	1.080	50	20	DDGD	
Cc1nnc2ccc(C(=O)NC[C@@]3(C)C[C@@H]3Br)cn12	857393461	GQGFYQZBYZXOPK-GXFFZTMASA-N	323.194	1.941	50	20	DDGD	
CCC(=NNC(=O)CNc1cccc(OC)c1)c1nccn1C	755585183	PQJMIMWZUPFALX-UHFFFAOYSA-N	315.377	1.771	50	20	DDGD	
O=C(NNC(=O)c1ccnn1CCc1ccccc1)NC1CC1	857708748	XFEHROUHJHSMAK-UHFFFAOYSA-N	313.361	1.232	50	20	DDGD	
C[C@H]1C(=NNC(=O)c2cn(C)nn2)CC[C@@H](C(=O)O)C1(C)C	853383383	VMTNMYHDIRGLQG-IUCAKERBSA-N	307.354	1.058	50	20	DDGD	
CC(C)(C)C[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)C(F)(F)F	858351994	QKCXOKONUAGRRX-MRVPVSSYSA-N	321.303	1.721	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2COC[C@H]2C)c1F	926019872	RGJBAOUGLJRFOZ-KCJUWKMLSA-N	311.313	1.273	50	20	DDGD	
Cn1nc(C(=O)NC[C@]2(C)C[C@H]2Br)cc1Cl	857385967	ODNPHOYLVQRMSJ-XCBNKYQSSA-N	306.591	1.977	50	20	DDGD	
N#CCOc1ccccc1C(=O)NNC(=O)OCC(F)(F)F	856023946	BVCDZGMTAPICSX-UHFFFAOYSA-N	317.223	1.522	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1ncoc1C1CC1	854388254	DECLLXWGLGPSQZ-UHFFFAOYSA-N	311.338	1.102	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCOC(C2CC2)(C2CC2)C1	852652137	ZXDUMLNLQNMAJF-UHFFFAOYSA-N	323.437	1.071	50	20	DDGD	
CN(Cc1ccon1)C(=O)NC[C@]1(C)C[C@@H]1Br	856898611	CZPKFZGHFPSSHR-ONGXEEELSA-N	302.172	1.990	50	20	DDGD	
CCc1csc(CC(=O)NNC(=S)NCC2CCC2)n1	855090310	UBJQKZOUPRNNFN-UHFFFAOYSA-N	312.464	1.543	50	20	DDGD	
C/C(=C/C(=O)NNC(=O)OCC(F)(F)F)c1cnccn1	856025920	FJUCYEHNNGMIRJ-DAXSKMNVSA-N	304.228	1.200	50	20	DDGD	
CCc1c(C(=O)NNC(=O)NC2CCCC2)cnn1CC(C)C	755717111	LIWAWZXSIYLMMW-UHFFFAOYSA-N	321.425	1.988	50	20	DDGD	
CSc1ccc(C)c(C(=O)NNC(=O)CN2CCCC2=O)c1	920436044	UTPWFXVTJNFKIE-UHFFFAOYSA-N	321.402	1.100	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)/C=C/c1ccc(O)cc1)C1CC1	855098303	DQCPRZUUVGLJPD-LLGDCAAFSA-N	305.403	1.699	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1c(F)ccc(F)c1Cl	857707893	DQSDMWZJRSBWJV-UHFFFAOYSA-N	321.711	1.599	50	20	DDGD	
CN(Cc1nc(C2CC2)nn1C)NC(=O)OCc1ccccc1	859386277	JHICTCYAIAXZTQ-UHFFFAOYSA-N	315.377	1.966	50	20	DDGD	
Cc1nc[nH]c1C=NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C	853375747	AUWGARYCBMUCAX-BXUZGUMPSA-N	316.365	1.070	50	20	DDGD	
CC1=C(C(=O)OCC(=O)NNC(=O)c2cccs2)CCCO1	756444161	XFRUFCSYVZQMBD-UHFFFAOYSA-N	324.358	1.137	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)c2cnn(CCF)c2)c1C	855624738	TYTKBCWZGDTMJC-UHFFFAOYSA-N	320.324	1.705	50	20	DDGD	
COc1ccc(Br)c(NNC(=O)[C@@H](O)C2CC2)c1	854946493	OOCUTDWDERXCDE-NSHDSACASA-N	315.167	1.672	50	20	DDGD	
CC1CCN(C[C@@H](C)NC(=O)NNc2ncccc2F)CC1	852602323	OBXMLTXKQNMAIL-GFCCVEGCSA-N	309.389	1.967	50	20	DDGD	
CCc1nc(COC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)n[nH]1	754773258	QVWZCKMRPBXIMI-XGICHPGQSA-N	324.344	1.536	50	20	DDGD	
C[C@@H](NNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C(F)(F)F	862309534	MBHXEJGFNCQEFO-SCSAIBSYSA-N	310.207	1.501	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)CC(C2CCC2)C2CCC2)CC1	861570832	NIWFSMQNXVLVJN-UHFFFAOYSA-N	322.453	1.581	50	20	DDGD	
CN(C)c1ccnc(C(=O)NNCC(F)(F)C(F)(F)F)c1	863094397	SRCOZIXNOLBGHR-UHFFFAOYSA-N	312.242	1.580	50	20	DDGD	
COC(=O)C[C@H](NC(=O)[C@@]1(C)C[C@H]1Br)C1CC1	934413159	SMVVZBZLGIPEGU-SBMIAAHKSA-N	304.184	1.618	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1	935562290	FOCJDSHNGRMPBK-UHFFFAOYSA-N	317.389	1.997	50	20	DDGD	
COc1cc(C(C)=NNC(=O)[C@@H]2CCC(=O)N2)ccc1SC	863145082	JAVHKRJHIYTAPM-NSHDSACASA-N	321.402	1.536	50	20	DDGD	
NC(=O)NCCCCCC(=O)NNCC(F)(F)C(F)(F)F	863941697	DNBQMSMDVNOJOU-UHFFFAOYSA-N	320.262	1.034	50	20	DDGD	
CC[C@@]1(C(=O)NNc2cccc(C(=O)OC)c2C)CCNC1=O	869256345	JIQILNRXZNTHQI-MRXNPFEDSA-N	319.361	1.141	50	20	DDGD	
COC[C@@](C)(NC(=O)NNc1ncccc1F)C(F)(F)F	932327518	YNULRRVGWQKSDA-SNVBAGLBSA-N	310.251	1.814	50	20	DDGD	
COC(=O)CC1CCC(=NNC(=O)Cc2ccncc2)CC1	863096934	ADBWYQDDKOBZFF-UHFFFAOYSA-N	303.362	1.850	50	20	DDGD	
CC(C)Oc1ccc(NCc2ccccc2B(O)O)cc1C#N	864039530	WJLSYXAAISBFMP-UHFFFAOYSA-N	310.162	1.637	50	20	DDGD	
O=C(Nc1nc(C2CCC2)cs1)c1cc(B(O)O)ccc1F	863881558	QGZHTQYKITXTGI-UHFFFAOYSA-N	320.154	1.482	50	20	DDGD	
COC(=O)NNC(=O)c1sc(N2CCCC2)nc1Cl	765835287	MWFGYRIRSCKYIJ-UHFFFAOYSA-N	304.759	1.398	50	20	DDGD	
CN(C)C(=O)COC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	769983868	YFBYBDXKBZDNFN-HOTUBEGUSA-N	304.184	1.572	50	20	DDGD	
O=C(NNc1ncc(F)cn1)Nc1cccnc1N1CCCC1	760310780	WCWBKKXKVAFJTR-UHFFFAOYSA-N	317.328	1.760	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCc2cccc(O)c2)cc1	1115868585	LBPIUNRCCHEORQ-UHFFFAOYSA-N	315.329	1.545	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)[C@H]1CCC(=O)[C@H](C)C1	763997139	JXJBFFGQRYURML-YPMHNXCESA-N	318.373	1.390	50	20	DDGD	
O=C1COc2ccc(C(=O)NNc3nc4ccccc4[nH]3)cc2N1	768503605	FQJOKJBHPOSIRC-UHFFFAOYSA-N	323.312	1.651	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	770575712	UFXQWNAPAZZCRC-NWDGAFQWSA-N	322.361	1.037	50	20	DDGD	
O=C(C[C@@H]1CCOC1)NNC(=O)c1cncn1-c1ccccc1	1116114613	WQKZDFUXDXYJTF-LBPRGKRZSA-N	314.345	1.060	50	20	DDGD	
C[C@]1(C(=O)NNC(=O)NC2CC2)CC(c2ccccc2)=NO1	874194349	ZIUYLSQBSVJHNX-OAHLLOKOSA-N	302.334	1.063	50	20	DDGD	
Cc1nn(CCO)c(C)c1C=NNC(=O)CNc1ccccc1	1115892855	RNKXLHKNONLXBM-UHFFFAOYSA-N	315.377	1.054	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)Cn2cnc3ccccc32)co1	771866437	GBLJYYPEWZVKHR-UHFFFAOYSA-N	313.317	1.048	50	20	DDGD	
O=C(NNC(=O)[C@H](F)c1ccccc1)c1n[nH]c2c1CCCC2	1116648783	OYMMSFVDFFLEGJ-CYBMUJFWSA-N	316.336	1.760	50	20	DDGD	
COc1cccc(CNS(=O)(=O)CCCCl)c1OC	881799778	JLSWFBMVNHPYBR-UHFFFAOYSA-N	307.799	1.752	50	20	DDGD	
CN1CCN(c2ccc(C=NNC(=O)c3ccccn3)cc2)CC1	771552816	JMKQGCKIWPIZIC-UHFFFAOYSA-N	323.400	1.597	50	20	DDGD	
C[C@@H](CBr)COC(=O)c1cccc(C(N)=O)n1	770414502	HEBGDFSDLSOESH-ZETCQYMHSA-N	301.140	1.368	50	20	DDGD	
C[C@@H](NCC(=O)NNC(=O)C(C)(C)C)c1c(F)cccc1F	774868786	ZGYOCBVRXPDHRG-SECBINFHSA-N	313.348	1.809	50	20	DDGD	
C[C@@H](C(=O)NNC(=S)Nc1cccc(Cl)c1)N(C)C	873786198	WFRXZAJHMVPTSO-QMMMGPOBSA-N	300.815	1.608	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)C(C)(C)C)c1cn(C)cn1	872389327	HBOOWNLPTBHGFS-UHFFFAOYSA-N	307.398	1.203	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)O[C@H]2CCCN(C)C2=O)cc1	778745883	IPPZWKGJKWTUDN-VOMSXAGXSA-N	314.341	1.766	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)Oc1cccc(C)c1	771934233	OZBOEXCLXBLBSR-VXGBXAGGSA-N	322.361	1.251	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc(Cl)nc1F	882678190	MBNJPKBEMNPFTP-ZCFIWIBFSA-N	309.750	1.230	50	20	DDGD	
C=CCOc1ccccc1C(=O)O[C@@H](C)C(=O)NNC(=O)CC	771986041	UAQTZEFNSLQLPN-NSHDSACASA-N	320.345	1.354	50	20	DDGD	
C[C@@H](c1ccccc1)[C@H](CO)NC(=O)NNC(=O)C(C)(C)C	778660681	NQMXKINGHQBEAK-AAEUAGOBSA-N	307.394	1.528	50	20	DDGD	
O=C(CCOC[C@H]1CCCO1)NNc1ccc(F)c(F)c1	885110544	HPGCHKPIZTVTLK-LLVKDONJSA-N	300.305	1.994	50	20	DDGD	
O=C(NNc1c(F)cc(F)cc1F)[C@@H]1CCCS(=O)(=O)C1	885154051	VTFRYXDBYASMCT-SSDOTTSWSA-N	322.308	1.372	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)C2(F)CCCC2)c1	773625034	PAQUCOCRTJUMKQ-UHFFFAOYSA-N	300.355	1.816	50	20	DDGD	
C[C@H](CBr)COC(=O)C[C@@H]1C=CS(=O)(=O)C1	770331609	AHNAAQOUXVZZBH-BDAKNGLRSA-N	311.197	1.509	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)c1ccc(-c2cnco2)cc1	883061982	NLWNSWVRNRDIHH-UHFFFAOYSA-N	315.329	1.529	50	20	DDGD	
O=S(=O)(CCCCl)NC[C@@H](CO)c1ccc(F)cc1	882260224	DKRWDPPMNXJBAH-NSHDSACASA-N	309.790	1.450	50	20	DDGD	
C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NN(C)C(=O)OC(C)(C)C	880277167	RUKXCXRJGMPAEP-BXKDBHETSA-N	308.382	1.974	50	20	DDGD	
CCNC(=O)c1ccc(NC(=O)NNC(=O)C2CCC2)c(C)c1	782557674	DWRZTVBDYOUUML-UHFFFAOYSA-N	318.377	1.698	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)Nc2ccsc2C)n1	880400739	LSNJRLJBQZQAOS-UHFFFAOYSA-N	307.379	1.723	50	20	DDGD	
COC(=O)c1cccc(CC(=O)NNc2ccc(OC)cn2)c1	781537912	XOISYDFEVGGCKZ-UHFFFAOYSA-N	315.329	1.563	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCN1CCC[C@@H]1C	783919914	IGLXWZMHDLYWDP-NSHDSACASA-N	312.845	1.953	50	20	DDGD	
C=C1CCC(C(=O)NNC(=O)Cn2cnc3ccccc32)CC1	895517527	WGPKIERKOBIDOS-UHFFFAOYSA-N	312.373	1.930	50	20	DDGD	
CCO[C@@H]1C[C@H](N(C)S(=O)(=O)CBr)C1(C)C	782452515	CNEDKIUIVXJFCM-DTWKUNHWSA-N	314.245	1.804	50	20	DDGD	
Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NNC(=O)C(C)C	783805959	LHRWCTBDLYNTLH-UHFFFAOYSA-N	316.427	1.121	50	20	DDGD	
Cc1cc(-n2c(C)cc(C=NNC(=O)C(C)(C)O)c2C)no1	785458307	VSUDQWLQLZPLRF-UHFFFAOYSA-N	304.350	1.612	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](C)Oc1ccc2c(c1)CCC2	780705721	FIVVQQSJSUASMP-LLVKDONJSA-N	305.378	1.635	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@H]1C[C@H](C)OC1=O)c1ccccc1	896343978	JKZFNBUJUFUSBV-DRZSPHRISA-N	319.361	1.215	50	20	DDGD	
COc1cccc(NCC(=O)NN=Cc2cccc(OC)n2)c1	790150085	UMXRGDKSVYBOHM-UHFFFAOYSA-N	314.345	1.661	50	20	DDGD	
C#CCOc1ccc(C=NNC(=O)c2ccc(O)c(O)c2)cc1	794550130	ASDRVHLVDGDIKG-UHFFFAOYSA-N	310.309	1.874	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1CCCc2c(OC)cccc21	799481661	FSQBSBYKZMVMBN-LBPRGKRZSA-N	320.389	1.903	50	20	DDGD	
CC(=O)NNC(=O)C(=O)Nc1cc(-c2ccc(C)o2)ccc1C	796991789	OZFDQNAMDCEKAR-UHFFFAOYSA-N	315.329	1.669	50	20	DDGD	
COc1ccccc1CC(=O)NN=C1CC(=O)N2CCCC[C@H]12	799478132	STQCVVKHAPJQKX-CQSZACIVSA-N	315.373	1.495	50	20	DDGD	
Cc1nc2cc(C(=O)NNC(=O)Cc3cccnc3)ccc2o1	791574018	LTZCFXVSFJTGGU-UHFFFAOYSA-N	310.313	1.535	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N2CCC(OC(C)C)CC2)n1	793230670	HTNFTIGFAJKUHP-UHFFFAOYSA-N	320.393	1.634	50	20	DDGD	
CC(=NNC(=O)Cc1nc2ccccc2n1C)c1ccc(O)nn1	790148944	OGZYOQVPHLRGRF-UHFFFAOYSA-N	324.344	1.152	50	20	DDGD	
N#CC1(CNC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)CC1	797581239	OXFMGJVRDGVQHK-UHFFFAOYSA-N	316.405	1.837	50	20	DDGD	
Cc1nc2ccc(C(=O)NNC(=O)c3ccccc3O)cc2n1C	794896133	OKYYUYVJZMSCFG-UHFFFAOYSA-N	324.340	1.662	50	20	DDGD	
COc1cc(C=NNC(=O)c2ccnc(N(C)C)c2)ccc1C#N	799480458	WNJLBTCPEUISTK-UHFFFAOYSA-N	323.356	1.792	50	20	DDGD	
Cc1ccc(NNC(=O)CNC(=O)c2cc(Cl)ccn2)cc1	1317785092	MLGHULQJYDEZHS-UHFFFAOYSA-N	318.764	1.917	50	20	DDGD	
Cc1nnc(CNC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)o1	1319499337	VHMDMIDQRYGTTE-UUILKARUSA-N	310.317	1.120	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(OCC2CC2)nc1	1327149581	FHDIMSXXQHJRBW-GXFFZTMASA-N	319.361	1.056	50	20	DDGD	
CCOc1ccc2c(c1)C(=NNC(=O)C[N+](C)(C)C)CCO2	1327798145	QWRHIASCTMBPMN-UHFFFAOYSA-O	306.386	1.394	50	20	DDGD	
Cc1nc([C@@H](C)NC(=O)NNC(=O)CCc2ccccc2)no1	1323117644	UZYSLPABSFVIAJ-SNVBAGLBSA-N	317.349	1.402	50	20	DDGD	
O=C(CCO)NN=Cc1cnn(Cc2ccccc2Cl)c1	1252557890	DQIZGRDUYFEAFD-UHFFFAOYSA-N	306.753	1.417	50	20	DDGD	
COc1cc(C)nc(NNC(=O)C[C@@H]2CNc3ccccc32)n1	1339952872	UXCUIJTYSCWVHA-LLVKDONJSA-N	313.361	1.836	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N(C)CC2(N(C)C)CCC2)c1	1331536357	FFALKGZTPYAQQH-UHFFFAOYSA-N	324.450	1.827	50	20	DDGD	
Cc1ncc([C@@H](C)NC(=O)/C(C#N)=C\c2cnn(C)c2)s1	1330631832	PTTVXFJACWGDSK-DZRKTEMMSA-N	301.375	1.969	50	20	DDGD	
CC(C)CN1CCC[C@H]1C(=O)NNC(=O)Cc1ccccc1F	1262608124	XJBMNOJOOPXGKZ-HNNXBMFYSA-N	321.396	1.636	50	20	DDGD	
Cc1cc(COCC(=O)NC[C@@]2(C)C[C@H]2Br)no1	1337300603	SCOCZCOPFFNXHW-ZYHUDNBSSA-N	317.183	1.789	50	20	DDGD	
COCCCNC(=S)N(C)NC(=O)c1ccc(C#N)cc1F	1338592433	ZAAGBUXMTKJEFB-UHFFFAOYSA-N	324.381	1.185	50	20	DDGD	
CC1(C)CN(C(=O)C(=O)NC[C@]2(C)C[C@@H]2Br)C1	1331101720	PDZMYCUWKMRWIV-UFBFGSQYSA-N	303.200	1.145	50	20	DDGD	
COC1(OC)CCN(C(=O)C2CCC(Cl)CC2)C[C@H]1O	1263846391	QIWHSVUAFPGSRD-HTAVTVPLSA-N	305.802	1.366	50	20	DDGD	
O=C(NNc1cncc(Br)c1)[C@@]1(F)CCOC1	1261085081	RTKUKQNTMPOJRD-SNVBAGLBSA-N	304.119	1.416	50	20	DDGD	
CCn1cnc(C(=O)NNc2ccc(CC(=O)OC)cc2)c1	1261761589	QQZZAZITAJWNTK-UHFFFAOYSA-N	302.334	1.375	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N2CCC(c3ncccn3)CC2)cn1	1348387404	HRPYQQJZZGZJOA-DHDCSXOGSA-N	322.372	1.523	50	20	DDGD	
CC(=NNC(=O)c1n[nH]c2c1CCCC2)c1ccc(C(=O)O)o1	1343884159	JVDRCSMAJRIHGQ-UHFFFAOYSA-N	316.317	1.734	50	20	DDGD	
CCC(C)(C)OCCNC(=O)NNc1nncc(N)c1Cl	1344484780	XPWJLWIKAHWKND-UHFFFAOYSA-N	316.793	1.544	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N2CC[C@@H]3OCCC[C@@H]3C2)c1	1351353674	SAAMUUMSAYQYJL-NEPJUHHUSA-N	323.418	1.912	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1cncc(-n2ccnn2)c1	1601561450	IGSPGSNWVMLKRR-UHFFFAOYSA-N	324.300	1.117	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)NOCCC(F)(F)F)cc1	1602127994	ITTPLJCNGQBUBV-UHFFFAOYSA-N	321.255	1.824	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)cc1F)N[C@H]1CCCOCC1	1601557283	UOSRHTRYPJQLBL-JTQLQIEISA-N	311.313	1.719	50	20	DDGD	
Cn1ncc(C(=O)NNc2cccc(C(=O)O)c2)c1C(F)F	1601020981	OKXMRYAXDKEJKC-UHFFFAOYSA-N	310.260	1.813	50	20	DDGD	
N#Cc1cc(Cl)nc(NNC(=O)c2cc(C(=O)O)no2)c1	1608197311	XFNGVHIDUNLBCC-UHFFFAOYSA-N	307.653	1.050	50	20	DDGD	
O=C(O)CC[C@@H]1CC[C@H](C(=O)NNc2ccc(F)c(F)c2)O1	1602035916	DERKFDCAOONDMZ-JOYOIKCWSA-N	314.288	1.820	50	20	DDGD	
C/C(=C/CNC(=O)NNc1ccc(OC(F)F)cc1)C(=O)O	1602972802	RZSALZZOWSFKRQ-VURMDHGXSA-N	315.276	1.945	50	20	DDGD	
O=C(NNc1ccc(C(=O)O)c(F)c1)c1ccc([N+](=O)[O-])cn1	1608481907	ULTDIEDRDAHHGR-UHFFFAOYSA-N	320.236	1.584	50	20	DDGD	
O=C(NNC(=O)C(=O)O)N[C@H](CC1CCC1)c1ccccc1	1610699133	IXDVTUZFDVDWOD-GFCCVEGCSA-N	305.334	1.333	50	20	DDGD	
Cn1nccc1[C@H]1OCCC[C@@H]1C=NNC(=O)c1cccnn1	1552925172	HUSNYPSMSDTWRH-RISCZKNCSA-N	314.349	1.094	50	20	DDGD	
CC[C@H]1NCC[C@@H]1NC(=O)NC[C@@]1(C)C[C@H]1Br	1578239100	RHHZLZIGFKEXBS-DTHBNOIPSA-N	304.232	1.600	50	20	DDGD	
Cc1ccc(NNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c(Cl)c1	1581209599	NCMKSLWXYWLDAA-UHFFFAOYSA-N	317.740	1.914	50	20	DDGD	
C/C(C#N)=C\Cn1cc(Br)cc(-c2nn[nH]n2)c1=O	1588924552	VNJPSURLXKKLNW-FARCUNLSSA-N	321.138	1.261	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCCO2)C1	1843107574	RJUILHCEKKWLQO-NWDGAFQWSA-N	314.813	1.386	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN(C)C	1847866755	IPSCBPRDPJRKKV-AGIUHOORSA-N	315.845	1.157	50	20	DDGD	
O=C(NNc1ncncc1F)[C@@H]1CCCCC12CCNCC2	1580742917	JQZICNYMGZWKSR-NSHDSACASA-N	307.373	1.619	50	20	DDGD	
CCC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cn[nH]c1)C2	1841667905	JZSXUGBAYGAKOP-GFCCVEGCSA-N	324.812	1.634	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H]1CCCO1)C2	1845164633	QYVAZLRGCCYOBK-VXGBXAGGSA-N	314.813	1.386	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)C2(F)CC2)C1	1845893992	GAVQBHVJYMRHSU-SNVBAGLBSA-N	302.777	1.709	50	20	DDGD	
CC(C)CCC(=O)NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1CC2	1591213713	AJQVSSWMTCIRRP-VTPLQMEGSA-N	308.378	1.483	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1ccc(C(=O)O)cc1F	1596932456	ZINFWWZWWYAWRW-SECBINFHSA-N	314.313	1.409	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNc2ccc(C(=O)O)cc2F)CC1=O	1595896735	PJRKCNNYWUSWNZ-JTQLQIEISA-N	323.324	1.226	50	20	DDGD	
CCCOc1c(Cl)cc(C=NNC(=O)C(=O)O)cc1OC	1595949941	GKFHQHMAPWMUGV-UHFFFAOYSA-N	314.725	1.672	50	20	DDGD	
O=C(NNc1cccc(-c2nn[nH]n2)c1)NC(C1CC1)C1CC1	1593166055	SNBSFQZVBSFUMW-UHFFFAOYSA-N	313.365	1.681	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1ccc(C(=O)O)s1	1594702264	NHPNLVUAQMKGGK-UHFFFAOYSA-N	320.326	1.681	50	20	DDGD	
CCCOC(=O)/C(C#N)=C/c1cc(-c2nn[nH]n2)n(C)c1C	1590639876	OGBNOCMSIQETQI-IZZDOVSWSA-N	300.322	1.374	50	20	DDGD	
C[C@H](NC(=O)NNc1cccc(C(=O)O)c1)[C@H]1CCCNC1	1593101322	CHHRURZLYQNVAS-JQWIXIFHSA-N	306.366	1.399	50	20	DDGD	
CCc1cnc(O)c(C(=O)NNc2ccc(C(=O)O)c(F)c2)c1	1597419646	HIYTZOQBPWKJQH-UHFFFAOYSA-N	319.292	1.944	50	20	DDGD	
COC(=O)c1ccc(C(=O)NNc2ccc(C(=O)O)cn2)cc1	1598960116	SWMNZJNSQIGQOV-UHFFFAOYSA-N	315.285	1.323	50	20	DDGD	
CCC(=NNC(=O)NCC(=O)O)c1ccc(OC)c(OC)c1	1594693778	DKGWGWHDHFNVIH-UHFFFAOYSA-N	309.322	1.202	50	20	DDGD	
O=C(O)c1cccc(C(=O)NN=Cc2cnn(CC(F)F)c2)c1	1776095763	RVPUYUYLYWYQGU-UHFFFAOYSA-N	322.271	1.610	50	20	DDGD	
C[C@H]1C(=NNC(=O)c2ccc(C(=O)O)cc2)CC[C@H]1CC(=O)O	1776101029	NJGSFOPQGXBBTJ-SKDRFNHKSA-N	318.329	1.991	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H]2CCCS2)ccc1C(=O)O	1776081784	HKJPMSWIIUCVBO-GFCCVEGCSA-N	308.359	1.739	50	20	DDGD	
O=C(COc1ccc2c(c1)CCC2)NNC(=O)c1ccncc1	5423482	CSYUWMPANACLBT-UHFFFAOYSA-N	311.341	1.410	50	20	DDGD	
O=C(COc1ccccc1Cl)NNC(=O)c1ccccc1O	5679054	YGRGZYIPHZYFLA-UHFFFAOYSA-N	320.732	1.886	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccc3[nH]cnc3c2)cc1	15980571	RFFVWZWLFFGCNK-UHFFFAOYSA-N	324.340	1.711	50	20	DDGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccccc1O	17526539	GDBJBXNOJVRRIQ-JTQLQIEISA-N	318.304	1.760	50	20	DDGD	
O=C(CN1CCCCCCC1)NNC(=O)c1ccc(F)cc1	18709462	FOGAMBZNYWPERC-UHFFFAOYSA-N	307.369	1.853	50	20	DDGD	
N#Cc1ccc(NNC(=O)CCC(=O)NC2CCCC2)cc1	161088494	GYMLELYYVRFRBF-UHFFFAOYSA-N	300.362	1.840	50	20	DDGD	
CS[C@H](C)CC(=O)NNC(=O)NCCc1cccs1	161212169	UKOLWQIKFSNMBA-SECBINFHSA-N	301.437	1.763	50	20	DDGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCC(N)=O)c1C	5365266	NMFZQCHZNKRDCP-JBARUQGQSA-N	319.361	1.248	50	20	DDGD	
O=C(NNc1ccccc1F)[C@@H]1CC(=O)N(Cc2ccco2)C1	153011335	YTVVZRVCYUAGRQ-LLVKDONJSA-N	317.320	1.911	50	20	DDGD	
Cc1nnc(-c2ccc(C(=O)NNC(=O)CC(C)(C)C)cc2)[nH]1	153592318	PVCGBAFQNNDGDD-UHFFFAOYSA-N	315.377	1.977	50	20	DDGD	
NC(=O)c1ccc(NNC(=O)CCc2ccccc2Cl)nn1	154274823	OAGBSBQDJZOJRA-UHFFFAOYSA-N	319.752	1.305	50	20	DDGD	
CCCCCS(=O)(=O)CC(=O)NNc1ccncc1Cl	154820474	SAXYUBFERNFRJM-UHFFFAOYSA-N	319.814	1.783	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)c2ccnn2C)cc1	6518136	UCXZGZHWTOXUPY-UHFFFAOYSA-N	319.390	1.450	50	20	DDGD	
O=C(CCCOc1ccccc1F)NNC(=O)[C@@H]1CCCO1	58248988	GPMLWQNOEAFNPJ-ZDUSSCGKSA-N	310.325	1.311	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)N(C)CC(F)F	103506200	FCARVFDKXGRRAC-UHFFFAOYSA-N	311.292	1.194	50	20	DDGD	
Cc1cccc2c(CC(=O)NNC(=O)N3CCOCC3)c[nH]c12	172836442	WVQBZAOEWNUJTP-UHFFFAOYSA-N	316.361	1.092	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)C2CC2)C1	52933914	RMDYUNFWPJLNKP-LLVKDONJSA-N	311.382	1.191	50	20	DDGD	
CN(CCNC(=O)NNC(=O)CC(C)(C)C)c1ccccc1	103300999	IWSMFEAGAOQCGP-UHFFFAOYSA-N	306.410	1.889	50	20	DDGD	
CCOCC(=O)NNC(=O)NCCCc1cccc(Cl)c1	170996969	JRKUOMFFHHECMX-UHFFFAOYSA-N	313.785	1.640	50	20	DDGD	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NNc1cccc([N+](=O)[O-])c1	178841369	QVNNHBKFLXYZKY-MFKMUULPSA-N	309.322	1.622	50	20	DDGD	
N#Cc1ccsc1C(=O)NNC(=O)COc1ccc(F)cc1	52033807	DLRFLXOJXFNDBX-UHFFFAOYSA-N	319.317	1.599	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)NCC[C@@H]1C[C@@H]2CC[C@@H]1C2	170881946	XWNADDQJRWICST-BPLDGKMQSA-N	316.405	1.781	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NNC(=O)Nc1cccc(F)c1	101603251	RBWDJDQFJPXNNW-UHFFFAOYSA-N	320.280	1.001	50	20	DDGD	
CSc1cc(C(=O)NNc2ncnc3nc[nH]c23)ccn1	173944245	RDXBEMLYBZYPBL-UHFFFAOYSA-N	301.335	1.227	50	20	DDGD	
COCCNC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	54027627	BLTVMHJLRNCCJQ-VIFPVBQESA-N	311.407	1.463	50	20	DDGD	
CCCCCC(=O)NNC(=O)C1CCN(c2ncccn2)CC1	103420564	DWQBPZYVYPHYFT-UHFFFAOYSA-N	319.409	1.421	50	20	DDGD	
CCc1nc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)co1	119013450	OIFPIOBNQLHTPA-UHFFFAOYSA-N	317.345	1.694	50	20	DDGD	
CN(C)N(C(=O)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1	58564111	VQNOBRBYLRNDDP-GFCCVEGCSA-N	316.810	1.446	50	20	DDGD	
COc1ccnc(NNC(=O)c2cccc(-n3cccn3)c2)n1	116724848	XNSHDAMKSNZUSM-UHFFFAOYSA-N	310.317	1.428	50	20	DDGD	
C[C@H](C(=O)NNC(=O)c1ccc(Cl)nc1)N1CCCCCC1	175495981	XJHFJMCUXXLZFR-LLVKDONJSA-N	324.812	1.761	50	20	DDGD	
Cc1nnc(NNC(=O)c2cccc(OC(F)F)c2)nc1O	29066777	QVWJZFZSUZSIJS-UHFFFAOYSA-N	311.248	1.244	50	20	DDGD	
O=C(NNC(=O)[C@H](c1ccccc1)N1CCSCC1)C1CC1	69973123	NIKCOAHKECMFMV-AWEZNQCLSA-N	319.430	1.334	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1	178966752	PNQUUUFUACEIEJ-FYPAKXHLSA-N	324.384	1.667	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCOc1ccc(OC)cc1	64425825	TUWQSAVBEHIZOJ-UHFFFAOYSA-N	309.366	1.595	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccc(C#N)cc1)Cc1ccccc1	61462402	UXRGKAYMAHBAGK-UHFFFAOYSA-N	322.368	1.451	50	20	DDGD	
COCc1nc(C(=O)NNC(=O)c2ccccc2C)cs1	65105217	HWKVNJWTPDLCEJ-UHFFFAOYSA-N	305.359	1.673	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H](C)c2cn(C)nc2C)nc1	188977824	ZUEFPLYWEZECBG-VIFPVBQESA-N	304.354	1.519	50	20	DDGD	
Cc1cc(NNC(=O)c2c[nH]nc2-c2ccsc2)ncn1	189314964	OKLSNPZZYGXDOV-UHFFFAOYSA-N	300.347	1.994	50	20	DDGD	
C[C@@H](NC(=O)NNc1ncccn1)[C@@H]1CCCN(C2CCC2)C1	182831333	RBGVKBPAGCQHOI-CHWSQXEVSA-N	318.425	1.756	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CCCNC(=O)c1ccsc1	77219528	OSUCSUJJRQFIOH-UHFFFAOYSA-N	311.407	1.452	50	20	DDGD	
CCC[C@@H](C)C(=O)NNc1c(OC)cccc1S(C)(=O)=O	186060970	ZDGMKZOMSIIFOO-SNVBAGLBSA-N	314.407	1.978	50	20	DDGD	
O=C(NCCc1ccc(Cl)s1)NNC(=O)[C@@H]1CCCO1	123297049	FAGCVFJUTXMNEV-VIFPVBQESA-N	317.798	1.453	50	20	DDGD	
CC[C@H](C)[C@@H](C)C(=O)NNC(=O)CNc1ccc(OC)cc1	182971890	ICFVUINACBQEAW-NWDGAFQWSA-N	307.394	1.937	50	20	DDGD	
O=C(C[C@@H]1C=CCCC1)NNC(=O)c1ccc2c(c1)OCCO2	186338344	PMUXDBDXGFKCHZ-GFCCVEGCSA-N	316.357	1.965	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1cc(OC)c(OC)cc1OC	34944135	FSIUMWMOEGIHJM-GHXNOFRVSA-N	321.329	1.809	50	20	DDGD	
CN(NC(=O)CCCc1ccc(Br)s1)C(N)=O	182654070	DVSAGXUPUBLWEM-UHFFFAOYSA-N	320.212	1.875	50	20	DDGD	
CSc1ccc(NC(=O)C(=O)NNc2ccccn2)cc1	181417076	HTIHVOCQIABUGB-UHFFFAOYSA-N	302.359	1.885	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)Nc1nnc(C(F)F)s1	184608428	LFYXDSYZFIVBAF-UHFFFAOYSA-N	302.266	1.270	50	20	DDGD	
C[C@@H](C[S@](C)=O)NC(=O)NNc1cc(F)c(F)c(F)c1	182581769	HZKJHTRYADDQDG-SVPXGXJHSA-N	309.313	1.497	50	20	DDGD	
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)c1cccn1C	78275314	MMNBDMILASWAEG-HZMBPMFUSA-N	315.329	1.015	50	20	DDGD	
C[C@@H]1OCCN(C(=O)NNC(=O)c2cccc(C#N)c2)[C@H]1C	120600935	RUGULCQYGULGRS-QWRGUYRKSA-N	302.334	1.022	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCC(O)(c2ccccc2)CC1	185928646	HDGWQHBLMUTCHD-BUHFOSPRSA-N	300.358	1.941	50	20	DDGD	
C=C[C@](C)(CCOC)C(=O)NNC(=O)CCc1ccccc1	188447015	PNIJLNVLIVTDDK-QGZVFWFLSA-N	304.390	1.995	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cccc2ccc(C)nc12	132039087	HWQKDFKJULEQCA-UHFFFAOYSA-N	316.361	1.524	50	20	DDGD	
CO[C@]1(C)C[C@@H](NC(=O)NNC(=O)c2ccccc2)C1(C)C	80604614	XZEZIEGZOBWJTL-MLGOLLRUSA-N	305.378	1.834	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2ccc3[nH]ncc3c2)n1	134041000	CJUSMAXAMPRVHD-UHFFFAOYSA-N	303.713	1.345	50	20	DDGD	
O=C(CN1C(=O)NC2(CCCC2)C1=O)NNc1ccc(F)cc1	45970564	GMLLPBJLLPOKIN-UHFFFAOYSA-N	320.324	1.133	50	20	DDGD	
CC(=O)OC1CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)CC1	194803031	WCCBIRUCHBJVSP-UVTDQMKNSA-N	314.341	1.853	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)C1CCC(O)CC1)c1ccccc1	194293058	DJRUIKUYJXYSIZ-YMAMQOFZSA-N	304.390	1.879	50	20	DDGD	
CN(C)C(=O)NNS(=O)(=O)c1cccc(Cl)c1Cl	194856446	UWLNHABGDWWACN-UHFFFAOYSA-N	312.178	1.458	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2c(F)cccc2F)n1	193883541	MELZJPZISLNPQD-UHFFFAOYSA-N	306.272	1.750	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N[C@@H](C)c2cn(C)nc2C)o1	84157002	JUDAJUMKLUNMQI-VIFPVBQESA-N	305.338	1.335	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NC[C@@H](C)CN2CCCC2)n1	80050397	QKVOLXFWUBPRHW-LLVKDONJSA-N	306.414	1.451	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc(OCC(F)F)nc1	90398255	SXTLPBANRNDFFV-UHFFFAOYSA-N	315.320	1.923	50	20	DDGD	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc[nH]1	96953519	LZAAXKHGXDUVJB-VMPITWQZSA-N	300.274	1.397	50	20	DDGD	
CSCCNC(=S)NNC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2	245710101	CGYKTGRCHASKCY-DCAQKATOSA-N	301.481	1.671	50	20	DDGD	
CCCN1C(=O)C(=NNC(=O)c2ccncc2)c2ccccc21	254826219	YZGPJIRDSWHAEK-UHFFFAOYSA-N	308.341	1.972	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cn(Cc2cccc(F)c2)nn1	268232342	BAXMNUSSFCUMHD-UHFFFAOYSA-N	317.324	1.027	50	20	DDGD	
O=C(Cc1c[nH]c2ncccc12)NNC(=O)NC1CCCC1	268187301	RTXLQLMVCFOZDH-UHFFFAOYSA-N	301.350	1.378	50	20	DDGD	
CC[C@H](C)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1	263882848	CKLNLRZKGZJWNU-JTQLQIEISA-N	311.407	1.617	50	20	DDGD	
CN(CCCNC(=O)NNC(=O)C1CCC1)c1ccccc1F	264776459	XCZFQADSWRRLPK-UHFFFAOYSA-N	322.384	1.783	50	20	DDGD	
COc1cc(CCC(=O)NNC(=O)C2CCC2)cc(OC)c1	264806231	UVSFSKSFGLFXTK-UHFFFAOYSA-N	306.362	1.584	50	20	DDGD	
CC(C)(NC(=O)C(F)(F)F)C(=O)NNc1cccc(F)c1	277421619	UWHZRTLJWFJSHN-UHFFFAOYSA-N	307.247	1.726	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)N(C)CC2(N(C)C)CCC2)n1	279738194	WXWRNWGPNLRJMK-UHFFFAOYSA-N	319.409	1.161	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)C[C@@](C)(O)C2CC2)c1	270154592	WZNVMHSYQNTHHR-MRXNPFEDSA-N	305.378	1.065	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)COc1ccc(F)cc1	279726892	VNCISWYFUBKBAO-GHMZBOCLSA-N	322.336	1.357	50	20	DDGD	
C=C(C)[C@H]1OCC[C@H]1C(=O)NNc1nc(-c2ccncc2)no1	278544879	CXENDUSESUUTPD-VXGBXAGGSA-N	315.333	1.556	50	20	DDGD	
COc1ccnc(NNC(=O)NCCCSCC(C)C)n1	270512825	XODXHGLETHVNGD-UHFFFAOYSA-N	313.427	1.891	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2C[C@@H](OC(C)C)C2(C)C)n1	274558226	WBIDXCCOOSPQRJ-GHMZBOCLSA-N	323.397	1.703	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)CCCC(C)=O)nc1C	274755149	FZVHFGSPGCBHAP-UHFFFAOYSA-N	308.338	1.164	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cnc2c(C)cc(C)cc2c1O	275075355	CLWCAHVGIVZQEP-UHFFFAOYSA-N	316.361	1.863	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)NCC[C@@H]2CCO[C@H](C)C2)n1	273154624	YJXHUNJCFZHTKZ-CHWSQXEVSA-N	307.398	1.925	50	20	DDGD	
Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)NNc1ncccc1F	287125948	XJSAJABJXOGWGG-QWRGUYRKSA-N	320.328	1.111	50	20	DDGD	
O=C(NNc1ccc(Cl)nn1)N[C@@H]1CCc2c[nH]nc2C1	370412607	ALNATGFXODTQLB-MRVPVSSYSA-N	307.745	1.037	50	20	DDGD	
CCCCOCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	281230606	MWQNZMMBGRQHAZ-UHFFFAOYSA-N	321.377	1.206	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)N2C[C@H](C3CC3)O[C@H](C)C2)s1	280106180	BSJFJWMHTRAJSH-BXKDBHETSA-N	323.418	1.910	50	20	DDGD	
CO[C@@](C)(C(=O)NNC(=O)COc1cccc(C)c1)C1CC1	290987737	RFMAHFBMERFJMP-MRXNPFEDSA-N	306.362	1.336	50	20	DDGD	
COc1cc(C(=O)NNc2cccc(F)n2)ccc1[N+](=O)[O-]	804765653	SKSJXRLEHRKXDI-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(F)c(S(C)(=O)=O)c2)ncn1	806863968	XZPZWWCNCNMTOT-UHFFFAOYSA-N	324.337	1.085	50	20	DDGD	
CC(C)n1cnnc1SCC(=O)NNc1cccc(F)n1	804770843	VEURBSKKEZXZME-UHFFFAOYSA-N	310.358	1.629	50	20	DDGD	
CSc1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)ccc1F	295682754	YGQQVHWVRSAVGU-NSHDSACASA-N	312.366	1.878	50	20	DDGD	
COc1nccc(/C=C(\C#N)C(=O)NCCCOC(C)C)n1	296092365	ZELIFAAVOZEMLV-FMIVXFBMSA-N	304.350	1.323	50	20	DDGD	
C#CCN1CCC[C@H]1C(=O)NNC(=O)Nc1ccc(Cl)cc1	802021925	DEMPXMDKAMZEEJ-ZDUSSCGKSA-N	320.780	1.590	50	20	DDGD	
CCCN(C)c1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)cc1	295290542	DGVNCPVSKDJXLF-HNNXBMFYSA-N	319.405	1.863	50	20	DDGD	
Cc1cccnc1C(F)(F)C(=O)NNC(=O)N=c1cc[nH]cc1	802036390	VNHKEFMNBIFHSA-UHFFFAOYSA-N	321.287	1.152	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC2CC2)nn1-c1ccc(F)cc1	294029078	CXHMSLIKBNMKHM-UHFFFAOYSA-N	316.336	1.881	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@H]2CCCc3ccccc32)O1	297305890	FNASHGQOHOOBKJ-CQDKDKBSSA-N	317.389	1.962	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)/C=C\c2cnn(C)c2)cc1	802060091	FCOOJEQFSSGSKP-BAQGIRSFSA-N	315.333	1.295	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=C1COc2cccc(Cl)c21	814865572	UHCICNWBJFDHNT-VIFPVBQESA-N	312.753	1.604	50	20	DDGD	
CCOCC(=O)NN=C(C)c1cccc(OCCCC(=O)O)c1	814842826	GFFCSVILQXLZHM-UHFFFAOYSA-N	322.361	1.807	50	20	DDGD	
CC(C)O[C@@H](C(=O)NNC(=O)Cc1cc[nH]n1)c1ccccc1	815475425	LJCUBOVSXFLLSD-OAHLLOKOSA-N	316.361	1.266	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C)c1	819909185	XKHAVVQOSXAFPW-IINYFYTJSA-N	318.377	1.627	50	20	DDGD	
CC(=NNC(=O)c1cnccn1)c1cn(-c2ccccc2)nn1	814793982	SZQDACJENQBILK-UHFFFAOYSA-N	307.317	1.211	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)Cc2cnn(C)c2C)cc1	816596820	SDDRZXBMPJKGQQ-UHFFFAOYSA-N	317.349	1.133	50	20	DDGD	
CCc1cccc(C)c1NC(=O)C(=O)NNc1ncncc1F	815764005	MJKVCOUTKUWYOB-UHFFFAOYSA-N	317.324	1.568	50	20	DDGD	
Cc1ccc2c(c1)[C@@H](NC(=O)NNc1ncncc1F)CO2	814313180	OYYDCVUDCKMTCH-NSHDSACASA-N	303.297	1.684	50	20	DDGD	
CCN(CC)CCC(=O)NN=C1C[C@H]2C[C@H](C(=O)OC)[C@H]1C2	817323423	YYCJAJWJTKMYHA-UPJWGTAASA-N	309.410	1.410	50	20	DDGD	
CCn1cc(NC(=S)NNC(=O)CCc2ccccc2)cn1	726130661	VGPAAPIJHTWZLD-UHFFFAOYSA-N	317.418	1.853	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1ccc(N)c(OC(F)(F)F)c1	823921806	BVSASCQHMXOLDE-ZETCQYMHSA-N	307.272	1.125	50	20	DDGD	
N#CCCCOc1cccc(C=NNC(=O)c2cnccn2)c1	726737744	XUCQZICPLIUISF-UHFFFAOYSA-N	309.329	1.923	50	20	DDGD	
CC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2	496190355	QOQOYPZCMKLRHR-IJLUTSLNSA-N	311.382	1.189	50	20	DDGD	
CC(=NNC(=O)c1cccc(C#N)c1)c1c(C)nc(O)nc1O	728781368	KXCOXKJZKHMROJ-UHFFFAOYSA-N	311.301	1.222	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cc(O)cs1	826446978	IBMZWYPAPGKNOE-UHFFFAOYSA-N	302.319	1.391	50	20	DDGD	
CN(C)[C@@H](CNC(=O)/C(C#N)=C/c1cnn(C)c1)c1ccccc1	491049555	NDEMFEDWVADBQR-NDCSFFLDSA-N	323.400	1.746	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCSC(C)(C)C	825876515	HSRALFJZYMXYRE-NXEZZACHSA-N	303.428	1.274	50	20	DDGD	
O=C(NN=C1CCCOc2ccccc21)[C@@H]1CCS(=O)(=O)C1	728425510	IWDCFCYXRDROAI-LLVKDONJSA-N	322.386	1.114	50	20	DDGD	
Cc1nnc(CCC(=O)NNc2cc(F)c(F)c(F)c2)o1	821169225	PDUAXLWNDAACEN-UHFFFAOYSA-N	300.240	1.871	50	20	DDGD	
C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)NN(C)C(N)=O)C1	495542791	DYRVRWIQJFRKIR-NXEZZACHSA-N	314.386	1.064	50	20	DDGD	
CCCc1cc(C(=O)NNC(=S)N[C@@H](C)C2CC2)cc(O)n1	824446095	GCAHZNKIOTZEBW-VIFPVBQESA-N	322.434	1.647	50	20	DDGD	
Cn1cc([C@@H](O)CNC(=O)/C(C#N)=C/c2ccc(F)cc2)cn1	490840812	HETICABYJIYCPC-MFMIUCCHSA-N	314.320	1.316	50	20	DDGD	
OCCCSc1ccc(NCc2ccc(B(O)O)cc2)cc1	585012719	DBSBDVVLDQJXAD-UHFFFAOYSA-N	317.219	1.453	50	20	DDGD	
Cc1cc(C)n(-c2ccc(C(=O)NN(C)[C@@H](C)CO)cc2F)n1	823959426	IECLQLHYEBSVTQ-LBPRGKRZSA-N	320.368	1.586	50	20	DDGD	
N#C/C(=C\c1ccc2c(c1)NC(=O)CO2)C(=O)N=c1cc[nH]cc1	490689277	ARONJQWFVGGBLQ-KPKJPENVSA-N	320.308	1.380	50	20	DDGD	
CCOC(=O)N[C@H](C(=O)NNc1nccnc1C(C)C)C(C)C	496794994	QDSMAYPLSGTTKX-LBPRGKRZSA-N	323.397	1.814	50	20	DDGD	
Cc1ccc(NNC(=O)Cc2cccc(-c3nn[nH]n3)c2)cc1	826291780	VSVMMBWVJCTEOG-UHFFFAOYSA-N	308.345	1.861	50	20	DDGD	
CC(C)C[C@H]1C[C@@H](NCc2ccc(B(O)O)cc2F)CCO1	585032836	NUQNOZCTLAFBMG-GJZGRUSLSA-N	309.190	1.189	50	20	DDGD	
CN(CC(=O)NNc1ccc(-c2ccccc2)nn1)C(=O)O	828114169	CNWQESPMPZQDIF-UHFFFAOYSA-N	301.306	1.197	50	20	DDGD	
CC(C)C[C@@H](C)NC(=O)NNc1cccc(-c2nn[nH]n2)c1	824228138	FLDJBDAKYUONRD-SNVBAGLBSA-N	303.370	1.927	50	20	DDGD	
CCN(CCO)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1	823838444	QNPGMAVYMCQTSI-UHFFFAOYSA-N	323.393	1.993	50	20	DDGD	
Cc1cccc(-n2cnc3cc(C(=O)NCB(O)O)ccc32)c1	585063209	UAULTIUENIGCHS-UHFFFAOYSA-N	309.134	1.076	50	20	DDGD	
CC(=O)NNC(=O)c1cc2ccccc2cc1NC(=O)C1CC1	732913766	DHXRNNMITAAUKK-UHFFFAOYSA-N	311.341	1.969	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)/C=C/[C@H]2CCOC2)cc1	493078193	DJXBQFSHJUPEQS-LVDDQXARSA-N	320.414	1.827	50	20	DDGD	
CCn1ncc(C)c1NC(=O)NNC(=O)c1ccc(C)cc1O	825155520	HAASSBOWSPGVSV-UHFFFAOYSA-N	317.349	1.692	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1cnn(CC2CCC2)c1	901165573	JRRMPWNBMZSQBZ-UHFFFAOYSA-N	318.406	1.794	50	20	DDGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCC(OCCO)CC1	490841725	JNWRZLIYIASYHO-KAMYIIQDSA-N	318.348	1.733	50	20	DDGD	
CCN(Cc1ccccc1)c1ccc(C(=O)NCB(O)O)cc1	585062568	URXLRSUGWLBCLL-UHFFFAOYSA-N	312.178	1.455	50	20	DDGD	
OB(O)c1ccc(-c2noc([C@@H]3CC[C@@H]4[C@@H](C3)C4(F)F)n2)cc1	585051900	OGTJUKYEBWMGQR-YUSALJHKSA-N	320.104	1.565	50	20	DDGD	
COCCn1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cn1	491162848	UKSHXBHMYKUCOR-SXGWCWSVSA-N	310.357	1.753	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccc2[nH]ccc2c1	831400484	HGDJAUQALUZYDI-JOYOIKCWSA-N	302.334	1.746	50	20	DDGD	
O=S(=O)(CCl)N1CCN(CC(F)(F)C(F)F)CC1	830519719	KCVKNBDOGOHEOL-UHFFFAOYSA-N	312.716	1.031	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNC(=O)CCc2ccccc2)CC1=O	839618084	GDQUTPMKUFTZCK-AWEZNQCLSA-N	317.389	1.025	50	20	DDGD	
CCCNC(=O)NNS(=O)(=O)c1cccc2cccnc12	734742349	XRVHCYDNIUPVTQ-UHFFFAOYSA-N	308.363	1.137	50	20	DDGD	
CCOc1ccc(NNC(=O)N[C@H](C)c2ncn(C)n2)cc1	838566182	NBSGBDOQWBLIAV-SNVBAGLBSA-N	304.354	1.601	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)NC[C@@H]2CCCC2(F)F)cc1	836264953	LFYFOFQQKIADIP-LBPRGKRZSA-N	322.315	1.938	50	20	DDGD	
COC[C@@](C)(NC(=O)[C@H](Br)C(C)(C)C)C(=O)O	909363008	PUVVOWGPINMBCM-WRWORJQWSA-N	310.188	1.402	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)ccc1N(C)C	831223629	DQQVUZPQSJACPH-YPMHNXCESA-N	320.393	1.639	50	20	DDGD	
Cc1cc(N(C)C)ccc1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	831236043	RFHDGFYYFNDSOC-YPMHNXCESA-N	320.393	1.639	50	20	DDGD	
O=C(CCCOc1ccc2c(c1)CCCC2)NNc1nc[nH]n1	839769224	IUSQMLYSSUVTTB-UHFFFAOYSA-N	315.377	1.986	50	20	DDGD	
CC[C@@H](C)[C@H](NNC(=O)Cn1ccc2ccccc21)C(=O)OC	905759706	OGRDGJLMOBQEAJ-WBMJQRKESA-N	317.389	1.850	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1cc(-c2ccccc2Cl)on1	733361015	ZLYRAJWZJJIOOO-UHFFFAOYSA-N	322.752	1.318	50	20	DDGD	
CCCN(C(=O)c1ccc(B(O)O)c(F)c1)C1CCCCC1	584940297	RRCKMEQOGCEGBJ-UHFFFAOYSA-N	307.174	1.690	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@@H](C)CC(=O)O)c1C	832972560	FCRGMGCGAXXLLN-JQWIXIFHSA-N	322.361	1.329	50	20	DDGD	
COCCO[C@@H](C)C(=O)NNC(=S)Nc1ccc(C)cc1	733947980	MDOJGMMRGMWDDX-NSHDSACASA-N	311.407	1.364	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1NC(=O)NNC(=O)CCCc1ccccc1	836274187	HMEQPUKHUYKFAG-CABCVRRESA-N	317.389	1.683	50	20	DDGD	
C=CCCCNC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836434685	YFGUNLTXYZTHPE-UHFFFAOYSA-N	306.322	1.717	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNC(=O)[C@@H]2CCCCO2)C1(C)C	833243562	UEILSWXWOVKDHW-AGIUHOORSA-N	310.394	1.344	50	20	DDGD	
C[C@@H](N)C[C@@H](C)NC(=O)NNC(=O)c1ccc2ccccc2n1	831196398	BHAMUTCUBTWAES-GHMZBOCLSA-N	315.377	1.305	50	20	DDGD	
CC[C@H](NS(=O)(=O)CCl)[C@H](O)c1c(F)cccc1F	830750027	CAKVMUIUXNVCAT-ONGXEEELSA-N	313.753	1.893	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2CCS[C@H](C)[C@H]2C)cc1	735674979	ZKBIGYVOJHYIQM-CHWSQXEVSA-N	321.446	1.582	50	20	DDGD	
Cc1ccc(C)c(-n2ncc(C(=O)NN(C)C[C@@H](C)O)c2C)c1	910160936	QLTPBCWVISLSLT-CYBMUJFWSA-N	316.405	1.755	50	20	DDGD	
Cc1cc(C=NNC(=O)C2CC2)c(C)n1CCN1CCOCC1	915941631	TUZDPYUXLPTSBU-UHFFFAOYSA-N	318.421	1.297	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)COc2ccccc2O)c(C)s1	730778612	JDMIQVIJMPTCQV-UHFFFAOYSA-N	320.370	1.911	50	20	DDGD	
O=C(NN=Cc1ccc(O)c(O)c1)c1nnc(O)c2ccccc12	916317561	BULZVALXZLKNAV-UHFFFAOYSA-N	324.296	1.511	50	20	DDGD	
Cc1nn(C)c2nc(C3CC3)cc(C(=O)NN(C)C[C@H](C)O)c12	910174941	ISKWIJMZNXBXSN-VIFPVBQESA-N	317.393	1.112	50	20	DDGD	
C[C@@H]1C[C@H](CNC(=O)NNc2cccc(C(=O)O)c2)CCO1	833594943	GWTCLOBLEVXNOV-GHMZBOCLSA-N	307.350	1.826	50	20	DDGD	
N#CCc1ccccc1CC(=O)NNC(=O)[C@H]1CCCCO1	833242799	OOMBBBIYEWOLRS-CQSZACIVSA-N	301.346	1.012	50	20	DDGD	
CC(C)(CC#N)CNC(=O)NNC(=O)COc1ccccc1F	838756412	ZBGPXCIADILXFR-UHFFFAOYSA-N	322.340	1.475	50	20	DDGD	
Cc1ccc(-c2ncc(C=NNC(=O)NCC(=O)O)s2)cc1	833746560	KJZCDOWLWSMVQT-UHFFFAOYSA-N	318.358	1.836	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)C1(c2ccc(F)cc2)CCOCC1	910169701	VPCQTKJYHAAXSC-LBPRGKRZSA-N	310.369	1.218	50	20	DDGD	
O=C(NNc1ncnc2ccsc12)[C@@H]1CCCc2nn[nH]c21	830430435	GHGSHCQIRYQNSQ-SSDOTTSWSA-N	315.362	1.373	50	20	DDGD	
CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)CC(F)(F)F)c1C	918363635	ASSKKZDHPCGQLO-UHFFFAOYSA-N	305.256	1.548	50	20	DDGD	
O=C(NN=Cc1ccc(O)c(O)c1O)c1ccc([N+](=O)[O-])cc1	916243708	OQNGYRBQYWPKIC-UHFFFAOYSA-N	317.257	1.476	50	20	DDGD	
O=C(NCc1cc[nH]n1)NNC(=O)c1ccc(Cl)cc1F	747580573	SLWZROGHAOEKEM-UHFFFAOYSA-N	311.704	1.346	50	20	DDGD	
COc1cc(C=NNC(=O)COc2ccccc2O)ccc1O	916655574	SNXTXCDCOILTGT-UHFFFAOYSA-N	316.313	1.636	50	20	DDGD	
CC1(C)CC(=NNC(=O)C2CCN(c3ncccn3)CC2)CO1	841624821	XOODGNMPIFYWCS-UHFFFAOYSA-N	317.393	1.364	50	20	DDGD	
CCOc1nc2sccn2c1C=NNC(=O)[C@H]1CCO[C@@H]1C	842557802	WHRSWXYOVDMSPB-ZJUUUORDSA-N	322.390	1.670	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCOc1ccc(F)cc1	843646668	WRVMBBVBPOLNJZ-GXFFZTMASA-N	310.325	1.167	50	20	DDGD	
O=C(COC[C@H]1CCCO1)NNC(=O)c1cc2ccccc2o1	749476823	DHRZCCZFFUXDJZ-GFCCVEGCSA-N	318.329	1.389	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H]1CCCCN1C(=O)c1ccccc1	910172954	HOYXLQLIIAAQHR-DZGCQCFKSA-N	319.405	1.025	50	20	DDGD	
O=C(NCCCNS(=O)(=O)CCl)c1cccc(F)c1	747180274	YDFVKUMKVILNRK-UHFFFAOYSA-N	308.762	1.061	50	20	DDGD	
C=C[C@@H](C)ONC(=O)NNC(=O)CSc1ccc(C)cc1	845640161	UTSXCLPQPWPUHB-LLVKDONJSA-N	309.391	1.924	50	20	DDGD	
C[C@H]1[C@H](Cc2ccccc2)CCN1CC(=O)NNC(=O)C1CC1	746676288	JRFWNQWXFALJKB-BBRMVZONSA-N	315.417	1.497	50	20	DDGD	
Cc1cccc(NNC(=O)CCCN2CCN(C(C)C)CC2)n1	912980882	CGOWNUKKPBIXOZ-UHFFFAOYSA-N	319.453	1.639	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cnc2ccsc2c1	742053484	MLUUSJREQARYHG-UHFFFAOYSA-N	308.363	1.277	50	20	DDGD	
C[C@H](NC(N)=O)C(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	912581349	FIBXJYIXSMHVHI-WDEREUQCSA-N	315.490	1.666	50	20	DDGD	
COc1ccc(CNC(=S)NNC(=O)c2cc(C)[nH]n2)cc1	917414112	HBODZAZVXAVUOG-UHFFFAOYSA-N	319.390	1.036	50	20	DDGD	
O=C(NCCN1CCOCC1)NNc1c(F)cc(F)cc1F	913843823	KWTBWXVZDYIVSX-UHFFFAOYSA-N	318.299	1.062	50	20	DDGD	
CC(C)C(=O)NNC(=O)CSc1nc2ccccc2n1C	915189284	LILXVBAJSGFVML-UHFFFAOYSA-N	306.391	1.469	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)c2cnccc2C)cc1	741910167	BMTANBNRHQCGLU-UHFFFAOYSA-N	313.357	1.792	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)Cc1ccccc1F)[C@H]1CCOC1	743655988	XCXLATZDFWKRTA-PWSUYJOCSA-N	309.341	1.124	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)c2ncccn2)CN1Cc1ccccc1	841663951	BVMDDTWVRRDWDW-CYBMUJFWSA-N	309.373	1.857	50	20	DDGD	
CNC(=O)NNC(=O)[C@H](c1c(F)cccc1Cl)N(C)C	746160019	UPGFJRZLZMYJJD-JTQLQIEISA-N	302.737	1.042	50	20	DDGD	
Nc1ccc(C(=O)NN=Cc2ccc(C(=O)NC3CC3)cc2)cc1	912777920	ZHEIQBSFSIVLFP-UHFFFAOYSA-N	322.368	1.925	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2ccc(CC(=O)OC)cc2)CC1	846374100	JEAYRKPGRCXCOQ-UHFFFAOYSA-N	320.345	1.189	50	20	DDGD	
CC(=O)N[C@@H](C)C(=O)NNC(=S)Nc1ccc(C)c(C)c1	913434478	XYXLABAKBWURHE-JTQLQIEISA-N	308.407	1.146	50	20	DDGD	
COc1ccc(C(=O)NNc2ncnc3[nH]cnc23)c(OC)c1	740746878	VBFXQRWHWGQOGY-UHFFFAOYSA-N	314.305	1.127	50	20	DDGD	
CC[C@@H]1COC(C)(C)CN1C(=O)/C(C#N)=C\c1cnn(C)c1	846376216	SSCGYGIMTOJSQO-CNTYAEFGSA-N	302.378	1.743	50	20	DDGD	
COc1ccc(C=NNC(=O)[C@@H](C)CN2CCOCC2)c(F)c1	844568847	IATZXRCVYAUFBM-LBPRGKRZSA-N	323.368	1.253	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)c2ncccn2)c1C	743296665	DLXQRWKUPJKLTR-UHFFFAOYSA-N	301.375	1.725	50	20	DDGD	
CCC(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1	843653660	OBHKRUMHUSZPEZ-GWCFXTLKSA-N	304.346	1.465	50	20	DDGD	
O=C(O)[C@@]1(C(=O)NNc2ccccc2[N+](=O)[O-])CC=CCC1	846708231	YRTMOXLIIUVBDG-AWEZNQCLSA-N	305.290	1.849	50	20	DDGD	
CCSc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)ccn1	843645993	HLCZRIWPOUBWEW-MWLCHTKSSA-N	309.391	1.380	50	20	DDGD	
C[C@@H](CCN)NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	841966490	DFKWUYCFOVAKDH-NSHDSACASA-N	306.410	1.665	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@]1(C)CCc2ccccc2C1	843652585	KCCKMJZVJRZSLH-QITLCBANSA-N	316.401	1.754	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1	916344904	HAXNDHXFWJLRFO-UHFFFAOYSA-N	316.321	1.291	50	20	DDGD	
C=CC1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)CC1	744400700	LZSGMSQCRXLREF-UHFFFAOYSA-N	312.373	1.217	50	20	DDGD	
Cn1ccnc1CNC(=O)NNC(=O)c1cccc2ccccc12	743622197	AXVQTZUKVZFPMJ-UHFFFAOYSA-N	323.356	1.718	50	20	DDGD	
CCNC(=O)NNC(=O)[C@@H](c1c(F)cccc1Cl)N(C)C	746167431	QMXFFNDBVQOZIT-LLVKDONJSA-N	316.764	1.432	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCCOc1ccccc1F	843646367	PSNWYYDOWJDUIB-NEPJUHHUSA-N	324.352	1.557	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NC[C@@H]1CCCNC1)c1ccccc1	841924316	XHTLGHZFEBZUPT-CYBMUJFWSA-N	318.421	1.294	50	20	DDGD	
CC(=NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)c1cccc(C(=O)O)c1	844613217	YUEAZFFRLZSEIX-HZSPNIEDSA-N	302.330	1.793	50	20	DDGD	
CC(=O)N[C@@H](C(=O)NNc1cccnc1Cl)C1CCCC1	840478419	BLVQYWXAWQHKJX-GFCCVEGCSA-N	310.785	1.873	50	20	DDGD	
CC[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NCC1CC1	748530153	WRRRPDDLCDCMSP-GFCCVEGCSA-N	309.341	1.724	50	20	DDGD	
CN(Cc1cccc(C(N)=O)c1)C(=O)NNC(=O)C1CCCC1	753345570	QNCJFIHFZICSFC-UHFFFAOYSA-N	318.377	1.148	50	20	DDGD	
C/C(C=NNC(=O)N[C@H]1CCS(=O)(=O)C1)=C/c1ccccc1	920382527	YWPDFHBTJYTKRE-GSGMUKLISA-N	321.402	1.562	50	20	DDGD	
COCCC1(C(=O)NNC(=S)N[C@H](C)C2CC2)CCCC1	855099268	VTZFGZVICYTOLH-LLVKDONJSA-N	313.467	1.877	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@H]1Cc2cccc(O)c2C1	759452466	BJIXQIAEKGVIRN-QMMMGPOBSA-N	317.267	1.142	50	20	DDGD	
Cn1c(=O)oc2cc(C=NNC(=O)OCC(F)(F)F)ccc21	853429417	JOAPJDMTFCPVLA-UHFFFAOYSA-N	317.223	1.754	50	20	DDGD	
O=C(NNc1ccc(Cl)cn1)C1(n2cnnn2)CCCCC1	856094882	YQDOHRHBTUOKCD-UHFFFAOYSA-N	321.772	1.524	50	20	DDGD	
O=C(COC(=O)C=C1CCC1)NNC(=O)c1cccc(Cl)c1	756733044	KXJWMLOEJYGJEH-UHFFFAOYSA-N	322.748	1.755	50	20	DDGD	
CC(C)C(=O)NCCNC(=O)NC[C@@]1(C)C[C@@H]1Br	856821123	JYAKEEUAACKZLV-JOYOIKCWSA-N	320.231	1.231	50	20	DDGD	
COCCCC(C)=NNC(=O)Cn1nnc(-c2ccccc2)n1	759180799	VDRNOGGWEOTYIO-UHFFFAOYSA-N	316.365	1.259	50	20	DDGD	
O=C(NCCS(=O)(=O)C1CC1)NNc1ccc(F)c(F)c1	922899087	BISNXNQDYRKILT-UHFFFAOYSA-N	319.333	1.168	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1c(F)ccc2ccncc12	854683536	QJNDRHOJWHQICC-CYBMUJFWSA-N	317.320	1.704	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Nc1ccc2c(c1)NC(=O)CO2	755516296	YJIJUGNVXQWGDE-UHFFFAOYSA-N	306.322	1.216	50	20	DDGD	
CCN1CCN(CCC(=O)NNc2cc(F)ccc2C)CC1	855367693	YSBCGUBLZTYPHW-UHFFFAOYSA-N	308.401	1.605	50	20	DDGD	
CCc1nocc1C(=O)NNC(=O)COc1ccc(C)cc1	854210848	AVKWYGCMHPPKNL-UHFFFAOYSA-N	303.318	1.385	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc2c(c1)C[C@@H](C)O2	850064045	FAJYJDYTZBRJQB-ZJUUUORDSA-N	320.345	1.113	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1occc1Br	751611674	QKPCGUGKNAQAIS-UHFFFAOYSA-N	304.169	1.337	50	20	DDGD	
CSSCCNC(=O)N1CC[C@@H](N2CCOC2=O)C1	852314783	LREWBMLKHJCXRB-SECBINFHSA-N	305.425	1.234	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)NCCC2CCN(C)CC2)c1	858281113	LPEWZGRVHWVMDC-UHFFFAOYSA-N	324.450	1.732	50	20	DDGD	
CC(=O)c1cccc(C(=O)NNC(=O)OCC(F)(F)F)c1	856021283	CIMXTGNQBFIHEZ-UHFFFAOYSA-N	304.224	1.823	50	20	DDGD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)COc2ccc(F)cc2)[C@H]1C	858144818	VIEBUZCNKLKCBA-KIGUWFBYSA-N	324.352	1.411	50	20	DDGD	
O=C(NCc1nc2c(s1)CCC2)NNc1ncc(Cl)cn1	924598593	GYQFSOPUWUDPES-UHFFFAOYSA-N	324.797	1.902	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C)[C@H]1CCOC1	853376083	FWIBBVOSFDHVPT-GZBFAFLISA-N	320.393	1.416	50	20	DDGD	
C[C@@]1(CNc2ncnc(-n3cccn3)c2N)C[C@H]1Br	856788068	UTOAWSWKRRTAPJ-PELKAZGASA-N	323.198	1.830	50	20	DDGD	
CS[C@@H](C(=O)NNc1ccc(C(N)=O)nn1)c1ccccc1	757398128	DEHGSMZNMIICOB-GFCCVEGCSA-N	317.374	1.123	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@]2(O)CCSC2)C[C@@H]1Br	856956859	VZQFKMPVXTZRGA-JMJZKYOTSA-N	323.256	1.327	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)Cn2cnc3ccccc32)CN1C1CC1	753954466	CBVSVHHEWDNRNK-GFCCVEGCSA-N	311.389	1.765	50	20	DDGD	
CCOCCn1cc(C(=O)NN=c2cc[nH]cc2Cl)cn1	857149866	GKRPMEZITREFED-UHFFFAOYSA-N	309.757	1.147	50	20	DDGD	
O=C(NC[C@H]1CCCCS1)NNC(=O)c1ccccc1O	753259670	CHFFMVFMEUDBOH-SNVBAGLBSA-N	309.391	1.622	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNc2cc(Cl)nc(N)n2)c(F)c1	753464995	WULQOJRUQBEAGV-UHFFFAOYSA-N	323.715	1.811	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ncc2ccccc2c1O	855005142	CFBYDPBUYOFCKM-GXSJLCMTSA-N	315.329	1.126	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1cnc(O)c(C(F)(F)F)c1	932517566	ZXOCMVSQHVNAPN-UHFFFAOYSA-N	303.240	1.367	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccccc1O	868736740	RCTMPHBZOHMPEN-CKYFFXLPSA-N	307.350	1.209	50	20	DDGD	
CC(C)C(=O)NNC(=O)CNCC1C2CC3CC(C2)CC1C3	931823966	JRNZEXDIOBCMRP-UHFFFAOYSA-N	307.438	1.452	50	20	DDGD	
CN1CCC(CC(=O)NNCC(F)(F)C(F)(F)F)CC1	863100814	ZOBZESMFKCOLHS-UHFFFAOYSA-N	303.275	1.537	50	20	DDGD	
CC(C)(C)c1[nH]cnc1C(=O)NNC(=O)NCC(F)(F)F	868028150	PNYFIEAPPWKTBT-UHFFFAOYSA-N	307.276	1.214	50	20	DDGD	
Cc1ccccc1-n1cc(C(=O)NN[C@@H](C)C(F)(F)F)nn1	862322878	MSUXCSTXOHPUSL-VIFPVBQESA-N	313.283	1.761	50	20	DDGD	
OB(O)c1ccc(CNc2ccc(-c3csnn3)cc2)cc1	864024600	BXTGMVWOCNQOEH-UHFFFAOYSA-N	311.175	1.497	50	20	DDGD	
Cc1nc2ccc(NC(=O)C(=O)NNC(=O)C3CC3)cc2s1	763557950	LAYVSGBOBROAPL-UHFFFAOYSA-N	318.358	1.101	50	20	DDGD	
COCCCn1cc(C(=O)NNc2cccc(Cl)n2)cn1	861812097	XRGKYJUQCKXVOZ-UHFFFAOYSA-N	309.757	1.725	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccnc1)c1ccccc1F	763194706	YEGJHOFSKBKRSQ-UHFFFAOYSA-N	314.320	1.491	50	20	DDGD	
C[C@@H](C(=O)NNc1ccccc1)S(=O)(=O)C1CCOCC1	767855398	STPDDLWVQKYDHM-NSHDSACASA-N	312.391	1.112	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1cnn(C(F)F)c1	869217043	LYAITLDUOHEOTG-UHFFFAOYSA-N	303.338	1.187	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)C1SCCS1	761147510	QKEZHRZIMQEIOF-UHFFFAOYSA-N	317.461	1.427	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNc1nc2ccccc2[nH]1	768504078	HITDVNFWNZURBN-UHFFFAOYSA-N	305.338	1.531	50	20	DDGD	
CCc1ccc(C(=O)NNC(=O)[C@@H]2CCN2C(C)(C)C)cc1	862993368	OBONWYUXKWICGV-AWEZNQCLSA-N	303.406	1.883	50	20	DDGD	
CC(C)Oc1cncc(S(=O)(=O)NCC(Cl)Cl)c1	867469308	CABOWZQSYVSLNR-UHFFFAOYSA-N	313.206	1.951	50	20	DDGD	
COC(=O)Nc1ccc(NC(=O)NNc2cnccn2)cc1	769962290	OFXFURYLFDVKGB-UHFFFAOYSA-N	302.294	1.804	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H](C)OC[C@@H]2CCCO2)c1	862477710	MUQAHVKIPVJFHG-QWRGUYRKSA-N	312.391	1.402	50	20	DDGD	
C=CC(=O)N(C)CC(=O)NNc1ncnc(Cl)c1C(C)C	862001406	XCHXOPYCRJRHDR-UHFFFAOYSA-N	311.773	1.341	50	20	DDGD	
COC(=O)c1coc(C(C)=NNC(=O)NCc2ccco2)c1	766450399	LSOLUOSMTVGWJF-UHFFFAOYSA-N	305.290	1.883	50	20	DDGD	
COc1nccnc1NNC(=O)Nc1cc([N+](=O)[O-])ccc1C	764594148	DAOVHJDGMBLGFB-UHFFFAOYSA-N	318.293	1.850	50	20	DDGD	
CN1CCN(CCNC(=O)[C@H](Br)C(C)(C)C)CC1	767015349	QUJSHDGBHDXIAL-NSHDSACASA-N	320.275	1.160	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@H]1CCOC2(CCCCC2)C1	769173452	DNXOFYQKTISCMH-LBPRGKRZSA-N	313.398	1.235	50	20	DDGD	
COC(=O)c1coc(C(C)=NNC(=O)Cc2cc(C)[nH]n2)c1	766435163	ZHJCOGZTQHTMDL-UHFFFAOYSA-N	304.306	1.181	50	20	DDGD	
O=C(NCCn1cc([N+](=O)[O-])cn1)NNc1ccc(F)cc1	769224368	FWOOKGQZCXAMTK-UHFFFAOYSA-N	308.273	1.257	50	20	DDGD	
Cc1nc(SCC(=O)NNc2ncnc3ccsc23)n[nH]1	766678749	QKCJNGMHCMALGU-UHFFFAOYSA-N	321.391	1.353	50	20	DDGD	
O=C(NCCC1CCOCC1)NNC(=O)c1ccccc1F	1116066309	BYSMPOKHQMGAIO-UHFFFAOYSA-N	309.341	1.586	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)CC1(O)CCCC1	873770109	ZGXRPKOJDQEZPH-UHFFFAOYSA-N	323.418	1.708	50	20	DDGD	
C[C@@H](CC1CCCCC1)C(=O)NNC(=O)CN1CCCC1=O	1119600822	YYGZPZWFLKZNHV-LBPRGKRZSA-N	309.410	1.363	50	20	DDGD	
CCc1cccc(C)c1NC(=O)NNC(=O)COCCOC	877908371	SZFWEUAGYMLNJW-UHFFFAOYSA-N	309.366	1.373	50	20	DDGD	
CN(C)CC(=O)NNC(=O)Nc1ccnc(-c2ccccc2)c1	775696722	DLVSOTVKPWZACE-UHFFFAOYSA-N	313.361	1.463	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2C=CCCC2)cc1OC	1116252393	GWKAMPNMIUDBEI-GFCCVEGCSA-N	319.361	1.757	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@H]2C[C@H](OC)C2)c1F	875902938	CTLUHSWZMMYDGN-KYZUINATSA-N	311.313	1.416	50	20	DDGD	
N#Cc1ccccc1NC(=O)CCCC(=O)NNc1cnccn1	775278955	OVFFNCWZGTUYPD-UHFFFAOYSA-N	324.344	1.600	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)c2cc(C(C)=O)cn2C)cc1	1115831350	UPDKNRRTZBTJNC-UHFFFAOYSA-N	315.329	1.311	50	20	DDGD	
CC[C@H]1CN([C@H](CC)C(=O)NNc2nc(C)cc(C)n2)CCO1	773751288	MOQHFLIBDKVALR-UONOGXRCSA-N	321.425	1.426	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc(OC)c2ccccc12	872402421	DFVQYRSVZKLZOS-UHFFFAOYSA-N	316.357	1.962	50	20	DDGD	
CN(CC(F)F)C(=O)NNC(=O)c1nc2ccccc2s1	873298621	QGAIYCBRAKDXKT-UHFFFAOYSA-N	314.317	1.848	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)N1CCC[C@@H](C[C@@H]2CCOC2)C1	773544395	GCAKXFUDNADDSH-STQMWFEESA-N	311.426	1.912	50	20	DDGD	
C[C@H](NC(=O)NNc1ccc(C#N)cn1)C(C)(C)CN(C)C	888528940	KRRUSPIIYFAEBF-NSHDSACASA-N	304.398	1.556	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NC[C@H]1C=CCC1	883833293	YYSSHKLASNLBDI-NEPJUHHUSA-N	321.352	1.890	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21	779734375	SEBUUSPURHNMKS-GZZJDILISA-N	322.336	1.165	50	20	DDGD	
O=C(CC1OCCO1)NNc1cc(Br)ccc1F	885147602	KDUMRYYKORJKHT-UHFFFAOYSA-N	319.130	1.794	50	20	DDGD	
CS[C@H](C)CC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	772214771	SXOBTWIGMDZGKG-ZJUUUORDSA-N	304.412	1.253	50	20	DDGD	
CCOc1ccc(CCC(=O)NNC(=O)C2CCOCC2)cc1	883061990	NSOYPUCXKWSTBF-UHFFFAOYSA-N	320.389	1.592	50	20	DDGD	
COc1ccc(Cl)cc1C(=O)NNC(=O)CN1C[C@@H]2C[C@H]2C1	886340806	LOXLNJXYVDPGSB-UWVGGRQHSA-N	323.780	1.061	50	20	DDGD	
C[C@H]1C(=O)N(C)[C@H](C)[C@H](C)N1S(=O)(=O)CCCCCl	882869838	RATIMOTZLVMICN-VWYCJHECSA-N	310.847	1.275	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@@H](C)OCCc1ccccc1	887148961	DEWACQUTYWQWTJ-CQSZACIVSA-N	302.374	1.585	50	20	DDGD	
CC(C)C(=O)NNC(=O)NC[C@H]1CCCN(c2ccccc2)C1	789319533	WEYYSJRGZURTIZ-CQSZACIVSA-N	318.421	1.889	50	20	DDGD	
N#C/C(=C/c1ccccc1)C(=O)OCC(=O)NC(=O)NC1CC1	785366404	OYUPYTIQAFLEGL-WQLSENKSSA-N	313.313	1.125	50	20	DDGD	
COc1cc(NNC(=O)NC[C@H]2COCCO2)ccc1Cl	788892683	XZDYBHLKHGUEDI-JTQLQIEISA-N	315.757	1.390	50	20	DDGD	
CN(C)CC(=O)NNc1ccccc1I	882140615	CFHMETHRRIHAOT-UHFFFAOYSA-N	319.146	1.296	50	20	DDGD	
COc1ncncc1NC(=O)C(=O)NNc1ccc(F)cc1C	783447450	CCRFHKYONJODAV-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=Cc2ccccc2C(N)=O)c1	788700295	KYTFYBSTLXYUSI-UHFFFAOYSA-N	310.357	1.615	50	20	DDGD	
COc1ccc(NNC(=O)[C@H](C)c2c(C)nn(C)c2C)nc1	781527277	DULSQIMVZTZEPC-SECBINFHSA-N	303.366	1.687	50	20	DDGD	
CC(=NNC(=O)Cc1cn2ccccc2n1)[C@@]1(C)CCCO1	782242715	LTTXUSWCQDUFMZ-MRXNPFEDSA-N	300.362	1.938	50	20	DDGD	
COCC(=O)NN[C@H](C(=O)OC)c1cccc(Cl)c1Cl	781593379	YTPZBPZPXIEQAY-NSHDSACASA-N	321.160	1.475	50	20	DDGD	
CCC(=O)N1CCc2ccc(NCc3cccc(B(O)O)c3)cc21	897763962	WRVYDDGJYIOKRJ-UHFFFAOYSA-N	324.189	1.278	50	20	DDGD	
CCC(=O)NN[C@H](C(=O)OC)c1ccccc1C(F)(F)F	782900167	VWZFFMIPWKUZGC-NSHDSACASA-N	304.268	1.950	50	20	DDGD	
O=C(CCc1cncnc1)NNC(=O)c1cc2c(s1)CCC2	794179414	AEHUTEMHLXUHOP-UHFFFAOYSA-N	316.386	1.421	50	20	DDGD	
COCCCNC(=O)NNC(=O)Cc1coc2ccccc12	795588256	NDURLNWORBJOPU-UHFFFAOYSA-N	305.334	1.342	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21	795586357	DCEVGSZWFCCULN-BFHYXJOUSA-N	311.426	1.960	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1c(C)nn2cccnc12	798312751	KPMJSKXHYJXXGJ-UHFFFAOYSA-N	324.344	1.813	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCOc2ccc(C)cc2C1	796432317	VILGWOUYDPCEHD-GFCCVEGCSA-N	305.378	1.135	50	20	DDGD	
Cc1ccn(-c2cccc(C(=O)NNC(=S)NC(C)C)c2)n1	1318092467	QLBOPFQUZPMTEH-UHFFFAOYSA-N	317.418	1.698	50	20	DDGD	
Cc1nn(C)c(C(=O)NNc2nccnc2C(C)C)c1[N+](=O)[O-]	1321014495	DJBMYJQVWCJYSG-UHFFFAOYSA-N	319.325	1.307	50	20	DDGD	
C[C@@H](C[S@](C)=O)NC(=O)NNC(=O)c1ccccc1Cl	1325285101	PGMAUKIRHAKHLG-FHZGZLOMSA-N	317.798	1.051	50	20	DDGD	
CC(C)n1nccc1NC(=O)C(=O)NNc1ccnc(F)c1	1326090236	WVKOYYDWIYOOIV-UHFFFAOYSA-N	306.301	1.080	50	20	DDGD	
CC[C@H](C)CN(C)C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1328548081	QZCVLHYMGYDLSU-OPQQBVKSSA-N	319.243	1.781	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)cnc1F	1329655836	VSQIQBOBEMCCPS-UHFFFAOYSA-N	317.324	1.206	50	20	DDGD	
COc1cc(C(=O)NNc2ccn(C)n2)ccc1OC(F)F	1321388148	DZULSYFYXZTHGU-UHFFFAOYSA-N	312.276	1.787	50	20	DDGD	
CN(CC1CC1)C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1328963280	MRJLUPOSZUQSBJ-JOYOIKCWSA-N	303.200	1.145	50	20	DDGD	
Cc1cscc1CNC(=O)NNc1nncc(N)c1Cl	1320934677	GNYXGDSKNUSZLE-UHFFFAOYSA-N	312.786	1.908	50	20	DDGD	
CO[C@H]1CCC[C@@H](CC(=O)NNc2nncc(N)c2Cl)C1	1321075527	YVIQOJHIURRDNZ-BDAKNGLRSA-N	313.789	1.751	50	20	DDGD	
CCC[C@H](CNC(=O)NNC(=O)c1ccc(OC)cc1)OCC	1330438816	GTLWNGVGVLLRSS-CQSZACIVSA-N	323.393	1.844	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2ccc(OC)cc2)cc(O)n1	1254281423	VKVVEXSUNLIEQM-UHFFFAOYSA-N	315.329	1.433	50	20	DDGD	
Cc1ccccc1NNC(=O)C(=O)Nc1noc2c1CCCC2	1336686519	RGRQTZWFTLPNOA-UHFFFAOYSA-N	314.345	1.944	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CCc2cscn2)cc1	1251514204	HSBOINHJABBRPP-UHFFFAOYSA-N	305.359	1.546	50	20	DDGD	
COCCn1cc(C=NNC(=O)c2ccc(C)c(O)c2)cn1	1336994413	FRHNPIZEIMMNFP-UHFFFAOYSA-N	302.334	1.307	50	20	DDGD	
Cc1cc(=NNC(=O)NCCCCn2ccnc2C)cc[nH]1	1330292049	FKWBPFADRFWCMJ-UHFFFAOYSA-N	302.382	1.423	50	20	DDGD	
C[C@H](C1CC1)N(C)C(=O)C(=O)NC[C@]1(C)C[C@H]1Br	1331095449	BQEQNZHABVNTFN-JQEORGNBSA-N	317.227	1.533	50	20	DDGD	
CC(=NNC(=O)CCO)[C@@H]1CCCCN1C(=O)OC(C)(C)C	1344438166	LGEZMXZKZGMGLU-LBPRGKRZSA-N	313.398	1.651	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2nc(C3CC3)cs2)n1	1263757105	KUTURHJMYIGIRI-UHFFFAOYSA-N	305.363	1.884	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H]2C[C@H]2F)cc1	1350759032	NFRNCMWBAJSEEZ-JIMOISOXSA-N	310.325	1.358	50	20	DDGD	
O=C(O)[C@H]1C[C@@H](C(=O)NNc2ccc(C(F)(F)F)cn2)C1	1602214058	NBHGHLMSSLHUPD-KNVOCYPGSA-N	303.240	1.654	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@H]2CC[C@@H](CC(=O)O)C2)n1	1600182523	HDZPQLVZPHTOPE-MNOVXSKESA-N	307.354	1.363	50	20	DDGD	
O=C(CC1CC1)NNC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)O)cc1	1601247864	HRFPIVGFEVXBLF-QWHCGFSZSA-N	317.345	1.828	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)[C@H]1CC[C@H]1C(=O)O	1606526026	GFQYSRMHWXGFEM-JGVFFNPUSA-N	310.281	1.166	50	20	DDGD	
Cc1ccc(NNC(=O)c2ccnc3ccnn23)cc1C(=O)O	1607809002	AUQPHEUFJMOEOX-UHFFFAOYSA-N	311.301	1.493	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)CC(C)(C)CC(=O)O)c1O	1607305954	ZLVJFZXJKMQFGE-UHFFFAOYSA-N	324.333	1.053	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H](C(=O)NNc2cccc(F)c2Cl)O1	1602177214	ZQSIVCWDRXHWHT-BDAKNGLRSA-N	302.689	1.554	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1cc(C(=O)O)no1	1601359790	RQMQSPPQUYCVRQ-UHFFFAOYSA-N	323.692	1.030	50	20	DDGD	
O=C(/C=C\COc1ccccc1)NNc1ccc(C(=O)O)cn1	1608281132	FAQOOHYKEYXPDN-DAXSKMNVSA-N	313.313	1.858	50	20	DDGD	
Cc1coc(CC(=O)O)c1C(=O)NNC(=O)c1ccccc1	1610542822	IQBPOHSZICGLOX-UHFFFAOYSA-N	302.286	1.290	50	20	DDGD	
O=C(CCc1ccco1)NNC(=O)Nc1cccc(C(=O)O)c1	1610661061	PIJMCIJVBPPKIJ-UHFFFAOYSA-N	317.301	1.763	50	20	DDGD	
COCCC(C)=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccnn1C	1549315585	OBFIRIFPTZPUGL-OCCSQVGLSA-N	308.382	1.416	50	20	DDGD	
O=C(O)CNC(=O)NN=Cc1ccc(N2CCCCC2)s1	1610782818	CBODXYULRGXVBN-UHFFFAOYSA-N	310.379	1.456	50	20	DDGD	
Cn1ccnc1[C@H]1OCCC[C@H]1C=NNC(=O)c1ccccn1	1552449209	YZYYWWSDURRDIH-JSGCOSHPSA-N	313.361	1.699	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1cnc(CC2CCNCC2)s1	1575106322	KWRKLEUZLKWHKJ-UHFFFAOYSA-N	324.450	1.492	50	20	DDGD	
N[C@H](CC1CCCCC1)C(=O)NNC(=O)NCc1ccco1	1580124587	QNFAMKDTXBANEK-CYBMUJFWSA-N	308.382	1.408	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cc(C(=O)O)cnc1Cl	1588435128	DFIWSYFLSOQVOO-UHFFFAOYSA-N	324.724	1.389	50	20	DDGD	
CC(=O)CC1(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCC1	1588785601	GIDHIRXLAKVDHX-UHFFFAOYSA-N	314.349	1.459	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843363610	PKOUTOIQFJWXIN-RNFRBKRXSA-N	301.120	1.259	50	20	DDGD	
O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)C2CCCC2)C1	1842592140	KTWYCTAZHBTLHM-NSHDSACASA-N	302.777	1.914	50	20	DDGD	
Cc1nc(C(=O)NNc2ccc(C#N)cc2)ccc1-c1nn[nH]n1	1592349131	DNGVOSQXCWMPDD-UHFFFAOYSA-N	320.316	1.199	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)N[C@@H]1CCC(F)(F)C1	1593164692	MVNSOQSOINVPNV-MRVPVSSYSA-N	324.295	1.076	50	20	DDGD	
CN(NC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1ccccc1	1591154109	GKYXXWKXUKCMSE-UHFFFAOYSA-N	323.360	1.717	50	20	DDGD	
Cc1ccccc1CC(=O)NNC(=O)C1(C(=O)O)CCCCC1	1594417731	RGLLNDIZTXDYLP-UHFFFAOYSA-N	318.373	1.720	50	20	DDGD	
COCCN(C)NC(=O)Nc1cc(F)c(Cl)c(C(=O)O)c1	1599232245	QBPYGWDGMMIPDM-UHFFFAOYSA-N	319.720	1.792	50	20	DDGD	
COCCOC(=O)/C(C#N)=C\c1cccc(OCCC(=O)O)c1	1776115894	MABQGIMKHNGGFK-LCYFTJDESA-N	319.313	1.637	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)/C=C/c2cnn(C)c2)c1	15428412	RRSJYUDTORTSRC-VOTSOKGWSA-N	315.402	1.760	50	20	DDGD	
CN(CC(=O)NNC(=O)c1ccccc1Cl)Cc1ccco1	15482509	RQIPYNLABISUCK-UHFFFAOYSA-N	321.764	1.826	50	20	DDGD	
C=CCNC(=S)NNC(=O)c1ccc(OCC)c(OC)c1	16317931	HDDRPAJBSBIAAC-UHFFFAOYSA-N	309.391	1.389	50	20	DDGD	
CC(=O)c1c[nH]c(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1	17330289	GQNAEZRUYXYZQD-UHFFFAOYSA-N	316.273	1.200	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cccnc2)cnn1C1CCCC1	161971324	ALEJTEOACYYOLB-UHFFFAOYSA-N	313.361	1.776	50	20	DDGD	
Cn1ccc(C(=O)NNc2nc(C(F)(F)F)cs2)cc1=O	152913120	VNFCYFKMFBIXPV-UHFFFAOYSA-N	318.280	1.618	50	20	DDGD	
COc1cc(C)ccc1CNC(=O)NNC(=O)c1ccc[nH]1	155764306	VKBDKAZBSDKDRW-UHFFFAOYSA-N	302.334	1.476	50	20	DDGD	
CCC[C@H]1CCCN(C(=O)NNC(=O)Cc2cccnc2)C1	154320536	VJCFMRKUCRTOSU-ZDUSSCGKSA-N	304.394	1.877	50	20	DDGD	
C[C@@H](CC(=O)OCc1ccccc1)NS(=O)(=O)CCl	830940466	UBWFLQWLTMKONO-JTQLQIEISA-N	305.783	1.624	50	20	DDGD	
CCCC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2ccccc2)C1	54814090	TYXWGXORLBKUNG-CQSZACIVSA-N	317.389	1.486	50	20	DDGD	
O=C(NCCOCc1ccccc1)NNc1ccc(Cl)nn1	177579691	YBTIGSDPINHATL-UHFFFAOYSA-N	321.768	1.973	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1cnc(-c2ccco2)s1	171535314	NKVRNDNQSXZLKJ-UHFFFAOYSA-N	322.346	1.090	50	20	DDGD	
Cc1nn(CC(=O)NNC(=O)CC(C)(C)C)c(C)c1Cl	103197548	QXTZFYJUCNXECP-UHFFFAOYSA-N	300.790	1.737	50	20	DDGD	
Cc1nn(C)cc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	113141310	LJGJMCMIYGFGJX-SNVBAGLBSA-N	320.324	1.096	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)C1[C@H]2CCC[C@@H]12	178096602	YGBOAGKCDWAYOD-YWXMQNBFSA-N	303.362	1.301	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NC[C@H](C)CN2CCCC2)n1	175336370	VLPQETCHGQTUNV-NSHDSACASA-N	322.413	1.152	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNc1nc2ccccc2c(=O)n1C	113187115	ZRCOBNTXYNOREM-LBPRGKRZSA-N	304.350	1.192	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)c2ccc(Cl)nc2)nc1	179786920	AGSDWHXVRNNGQS-UHFFFAOYSA-N	306.709	1.674	50	20	DDGD	
C[C@H](CCc1cccn1C)NC(=O)NNC(=O)c1ccccc1	174778033	OEMCFZVWEYZAFL-CYBMUJFWSA-N	314.389	1.990	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H](CCO)C(C)C	305128395	MBSYKIMWYMPQOX-GFCCVEGCSA-N	301.818	1.876	50	20	DDGD	
CCc1[nH]nc(C(=O)NNc2c(F)cccc2F)c1[N+](=O)[O-]	172444155	WAUYSVWZLRNZHO-UHFFFAOYSA-N	311.248	1.915	50	20	DDGD	
CCCc1c(C(=O)NNC(=O)NC2CC2)[nH]c(C)c1C(C)=O	64900323	ZPXBBTWGALWAHH-UHFFFAOYSA-N	306.366	1.585	50	20	DDGD	
CCNC(=O)NNC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O	122939891	LKQDUKXEUGPTJX-AWEZNQCLSA-N	316.361	1.301	50	20	DDGD	
Cc1ccccc1-n1c(C)cc(C(=O)NNC(=O)CO)c1C	182754839	BLKTZQREHCKZNM-UHFFFAOYSA-N	301.346	1.156	50	20	DDGD	
CN(NC(=O)c1ccc(OCc2ccccc2C#N)cc1)C(N)=O	182652533	QCZGWHKQHFIOKZ-UHFFFAOYSA-N	324.340	1.793	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2cc(F)c(F)cc2F)n1	124454622	CUBQIKZGGDPMFX-UHFFFAOYSA-N	312.251	1.968	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2ncccn2)c1Cl	120042301	BFEBBGXQBRIGSP-UHFFFAOYSA-N	305.725	1.520	50	20	DDGD	
O=C(CCc1nc(-c2ccccn2)no1)NNc1ccccn1	181237051	NYVCEDIMQLYLOG-UHFFFAOYSA-N	310.317	1.603	50	20	DDGD	
O=C(NNc1ccccc1)C(=O)Nc1ccccc1-n1ccnn1	185219459	QYMGVHHQFQSCQZ-UHFFFAOYSA-N	322.328	1.349	50	20	DDGD	
Cc1noc(C)c1C(=O)NNc1nnc(-c2ccccn2)s1	188202770	TWFNWWLJNWKAGB-UHFFFAOYSA-N	316.346	1.962	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2cc(C#N)cs2)c1	181112589	WTBCDCNBFZEUPK-UHFFFAOYSA-N	321.383	1.780	50	20	DDGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NOCC(N)=O)c1C	180374508	RQNSGLBESFHTMV-RIYZIHGNSA-N	318.377	1.345	50	20	DDGD	
CCc1ccnc(C(=O)NNC(=O)COc2ccc(F)cc2)c1	181650369	UCQAPOAWNYPCLR-UHFFFAOYSA-N	317.320	1.623	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1sc(C)nc1CC(C)C	186635844	VWCNHVFHCCITBN-UHFFFAOYSA-N	314.411	1.839	50	20	DDGD	
CCOC(=O)Nc1ccc(C(=O)NNC(=O)NC2CC2)cc1	138660906	DERXBGUYFYIGNA-UHFFFAOYSA-N	306.322	1.361	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NCc1ccc(F)cc1	83064599	QVIHPFKTGWEORB-UHFFFAOYSA-N	302.309	1.294	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)Cc2ccoc2)o1	133274198	VVZVEMZRNZFZBZ-UHFFFAOYSA-N	319.361	1.718	50	20	DDGD	
Cc1ccc(OCCCC(=O)NNC(=O)C(C)(C)O)cc1C	190076461	KDECMZVNAZXOLP-UHFFFAOYSA-N	308.378	1.381	50	20	DDGD	
COCCOCCC(=O)NNC(=O)c1ccc2ccccc2c1	138280974	RRFNDDHEKFDRLI-UHFFFAOYSA-N	316.357	1.654	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NCc2cc(C)no2)cc1	194684282	JLJHCWJAAPGQBB-UHFFFAOYSA-N	318.333	1.201	50	20	DDGD	
CN(C)C(=O)NNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1	194922423	RWLKGJXGYGEINQ-UHFFFAOYSA-N	308.338	1.808	50	20	DDGD	
Cc1ccc(NNC(=O)NCc2ccc([S@](C)=O)cc2)nn1	80199300	MNSSVGHXSYGVJQ-JOCHJYFZSA-N	319.390	1.349	50	20	DDGD	
CCC[C@@H]1CCc2nc(NC(=O)C(=O)NNC(C)=O)sc2C1	193287019	SNBOXBNTJYCLFM-SECBINFHSA-N	324.406	1.154	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NCc1ccoc1	193301477	DUUMRFYSFSCZES-UHFFFAOYSA-N	317.345	1.751	50	20	DDGD	
CC(=O)Nc1nc(C(=O)NNC(=O)CC2CCCC2)cs1	195210678	IVQVMXLVANUPDL-UHFFFAOYSA-N	310.379	1.443	50	20	DDGD	
O=C(Cc1cccc2ccccc12)NNC(=O)c1ccnnc1	90107793	FUSGITMGOCOEGO-UHFFFAOYSA-N	306.325	1.634	50	20	DDGD	
CSCc1noc(CCC(=O)NNC(=O)CC(C)C)n1	269493092	OZZXFCYNJGHLRE-UHFFFAOYSA-N	300.384	1.059	50	20	DDGD	
Cc1noc(C)c1CCNC(=O)NNC(=O)c1ccccc1F	264478930	WXDQVABKDKQYJJ-UHFFFAOYSA-N	320.324	1.617	50	20	DDGD	
COc1ccnc(NNC(=O)NCCOCc2ccccc2)n1	267006751	FJQWAEUAZXPZMQ-UHFFFAOYSA-N	317.349	1.328	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)CCC[C@]1(C)NC(=O)NC1=O	269588382	OVSBAYHFHPPJBZ-HNNXBMFYSA-N	322.340	1.346	50	20	DDGD	
CO[C@@H](CNC(=O)NNC(=O)COCc1ccccc1)C(C)C	266728841	LDZIKIMVMJTLIT-AWEZNQCLSA-N	323.393	1.205	50	20	DDGD	
C[C@@H]1CCC[C@H]1NC(=O)NNC(=O)Cc1cn2ccccc2n1	266925312	DFRCQPDUCWELDV-DGCLKSJQSA-N	315.377	1.396	50	20	DDGD	
O=C(COc1ccccc1F)NNC(=O)N[C@H]1CC=CCC1	265548972	INYMCVQBMFUKCE-NSHDSACASA-N	307.325	1.644	50	20	DDGD	
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NNc1cncc(Cl)n1	268116779	DXEUCXLFKBTGNQ-PSASIEDQSA-N	310.789	1.239	50	20	DDGD	
CC(=O)Nc1ccc(Cl)c(C(=O)NNC(=O)C2CCC2)c1	269027189	RJYRMGXJRABEDA-UHFFFAOYSA-N	309.753	1.860	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC(C(=O)O)CC1	269146874	PZRLNLXPVRTQGD-UHFFFAOYSA-N	313.785	1.676	50	20	DDGD	
C=C(CBr)CN1CCC[C@@H](CN2CCOCC2)C1	366742300	ICMRJOCQRRHDRB-AWEZNQCLSA-N	317.271	1.982	50	20	DDGD	
CC(C)[C@H]1C[C@@H](CC(=O)NNC(=O)c2cnn(C)c2)CCO1	273204836	OQECXXRZDRHVGW-WCQYABFASA-N	308.382	1.022	50	20	DDGD	
O=C(NCCOC1CCCCC1)NNc1nc2ccccn2n1	276563201	LWWNHGXYBCOECZ-UHFFFAOYSA-N	318.381	1.705	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNC(=O)c2ccc(C)o2)C1(C)C	273673865	JNBKZCNODHNWMQ-NEPJUHHUSA-N	306.362	1.990	50	20	DDGD	
CC(C)COc1cccc(NC(=O)C(=O)NNC(=O)C2CC2)c1	274117065	ZYCNUNIRPUBQQH-UHFFFAOYSA-N	319.361	1.217	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CCCOCC2)cc1	271916043	RRWILOQERVEHDX-CYBMUJFWSA-N	321.377	1.273	50	20	DDGD	
CN([C@@H](C(=O)O)c1ccccc1)S(=O)(=O)CBr	275350680	SWNLSWWCKMHYJC-SECBINFHSA-N	322.180	1.426	50	20	DDGD	
CC(=O)N(CCc1ccccc1)CC(=O)NCC(Cl)Cl	289125334	RCIUJEYLIAXBKX-UHFFFAOYSA-N	317.216	1.998	50	20	DDGD	
O=C(Cc1ccc([N+](=O)[O-])cc1)NNC(=O)NCC(F)(F)F	280855414	ARDZVLXORRSQSE-UHFFFAOYSA-N	320.227	1.030	50	20	DDGD	
O=S(=O)(CBr)N1CCC[C@H](OCC2CC2)C1	375316038	VFUBEMPIROBZEM-JTQLQIEISA-N	312.229	1.560	50	20	DDGD	
COCC1(C(=O)NNC(=O)CCc2ccccc2O)CCC1	287590034	MOBIZACDOMBCMM-UHFFFAOYSA-N	306.362	1.289	50	20	DDGD	
CO[C@]1(C)CCCN(C(=O)NNC(=O)c2ccc(C)s2)C1	280160195	GFZCFJZEDSREBA-CQSZACIVSA-N	311.407	1.912	50	20	DDGD	
COC(=O)C[C@@H](C)CC(=O)NNc1nc(-c2cccnc2)no1	289777493	REWHEYNXZVEUQM-VIFPVBQESA-N	319.321	1.164	50	20	DDGD	
COC1(CCNC(=O)NNC(=O)c2ccccc2F)CCC1	296711276	DNEDFFDJQMMFNK-UHFFFAOYSA-N	309.341	1.729	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CCCN(c2ccccc2)C1=O	293545835	DISKEJDATOPKBH-GFCCVEGCSA-N	305.334	1.159	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccc(OC(F)F)c(F)c1	293787691	QLSIAVKBRWTBRY-UHFFFAOYSA-N	302.252	1.988	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)CCOC(C)C	298282028	JBYATCOPZOWGNE-UHFFFAOYSA-N	314.769	1.925	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)NC[C@H]1C[C@@H]1C	298726016	JZCNSVGBJFSKEG-DTWKUNHWSA-N	311.769	1.949	50	20	DDGD	
Cn1nnc2c1C[C@H](C(=O)NNc1ncccc1Cl)CC2	291353463	RVSWRJGGVPKJPP-MRVPVSSYSA-N	306.757	1.112	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1ccc(O)c(F)c1	804953754	CLNLWUPOVWCEFP-UHFFFAOYSA-N	314.280	1.264	50	20	DDGD	
O=C(NNC(=O)C1CCC1)c1ccccc1NC(=O)C1CC1	293611677	GPRHOLIDJZYHPI-UHFFFAOYSA-N	301.346	1.596	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)Nc1cccc([N+](=O)[O-])c1	296426516	WIDGDZRVBZOEND-NSHDSACASA-N	308.294	1.317	50	20	DDGD	
Cc1cc(/C=C(\C#N)C(=O)NCCO)c(C)n1C[C@H]1CCCO1	298076805	JEIJUQWZYINIFY-HTRKUNOGSA-N	317.389	1.299	50	20	DDGD	
CC(C)(CCC(=O)NNC(=O)c1ccc(Cl)nc1)[N+](=O)[O-]	294620123	WHFXRMYWGPLJKF-UHFFFAOYSA-N	314.729	1.332	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)[C@H](C)NC(=O)C1CCCC1	298679376	SPKXGCZICSDYLZ-LBPRGKRZSA-N	317.389	1.451	50	20	DDGD	
COCc1cnc(NC(=O)C(=O)NN(C)c2ccccc2)s1	807001404	ZFBHTOURMQOYCB-UHFFFAOYSA-N	320.374	1.396	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](O)c1cccc(C(F)(F)F)c1	803076341	UKSDJCFJPHBQAU-JTQLQIEISA-N	319.283	1.431	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNC(=O)c1ccc(C#N)cc1	805172257	UKKRXXZGHPMNFG-UHFFFAOYSA-N	317.345	1.299	50	20	DDGD	
O=C(CC1CC1)NNC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1	294111798	JTHAUYSFYYMFAO-LBPRGKRZSA-N	317.172	1.974	50	20	DDGD	
CN(NC(=O)c1nnc2ccccc2n1)C(=O)OC(C)(C)C	297417151	YEAUJJBITDOJKR-UHFFFAOYSA-N	303.322	1.537	50	20	DDGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NNc1ncc(F)cc1F	296916226	KMVZDICNNSUJFS-CPCISQLKSA-N	300.309	1.354	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ccc(F)cc2)CCCC1	299558308	IEBCVSUFOMLMNT-UHFFFAOYSA-N	300.355	1.626	50	20	DDGD	
C[C@@H]1C(=NNC(=O)COc2ccccc2O)CC[C@@H]1CC(=O)O	814953995	YKGIUWQNTOZJJS-WDEREUQCSA-N	320.345	1.764	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2CC[C@H](CC(=O)O)[C@@H]2C)n1	814753285	SOVHMBCIQZJICX-NWDGAFQWSA-N	306.366	1.493	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NN=c2cc[nH]cc2Cl)nc1	816125631	GKTDSCPKHAOIJI-UHFFFAOYSA-N	320.736	1.486	50	20	DDGD	
CC1(C)CC(=NNC(=O)Cc2cc[nH]n2)c2sc(N)nc2C1	814954649	JPTPSIXGPXBHLX-UHFFFAOYSA-N	318.406	1.484	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)N=c2cc[nH]cc2)[C@@H](n2cncn2)C1	815000470	KFVRGGWTIMWRNM-RISCZKNCSA-N	313.365	1.634	50	20	DDGD	
CCOc1ccc(NNC(=O)c2cccc(-n3cnnn3)c2)cc1	817921403	VPLGEPITBBBAJA-UHFFFAOYSA-N	324.344	1.818	50	20	DDGD	
CCCCNC(=O)NNS(=O)(=O)c1c(F)cc(C)cc1F	818048430	JUWQJUVEKGIJFJ-UHFFFAOYSA-N	321.349	1.566	50	20	DDGD	
CCOC(=O)c1ccc(C(=O)NNC(=O)C2CCCC2)nc1	814991056	QFEZRNXEKAMSTF-UHFFFAOYSA-N	305.334	1.210	50	20	DDGD	
Cn1c(Cl)nc(Cl)c1C=NNC(=O)Cc1cccnc1	814837798	LOXZWEONOYRLGJ-UHFFFAOYSA-N	312.160	1.815	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1	819846867	CCPJVVHHVVBSJU-LURJTMIESA-N	321.126	1.659	50	20	DDGD	
Cc1nc2ccccc2cc1C(=O)NNc1nnc(C)c(O)n1	817284615	YPWRIGNBKQEQRE-UHFFFAOYSA-N	310.317	1.499	50	20	DDGD	
C#Cc1ccc(C(=O)NNC(=O)c2cc(Cl)ccc2O)nc1	728959112	BGWSYYKYYVRCNM-UHFFFAOYSA-N	315.716	1.497	50	20	DDGD	
CN(C)C(=O)c1cccc(C(=O)NNC(=S)NC(C)(C)C)c1	728613809	HTGFELUSKZYKQH-UHFFFAOYSA-N	322.434	1.296	50	20	DDGD	
COc1ccccc1[C@@](N)(C(=O)NN(C)C1CC1)C(F)(F)F	822434247	QISLJTLOTQTXNT-CYBMUJFWSA-N	317.311	1.537	50	20	DDGD	
CCN(CCO)NC(=O)Cc1cc(Br)ccc1F	823870008	VPPKOYRAMZBXKA-UHFFFAOYSA-N	319.174	1.476	50	20	DDGD	
CCn1nccc1/C=C(\C#N)C(=O)c1cccc(-c2nn[nH]n2)c1	825807795	WHABDTYIYLPECO-UKTHLTGXSA-N	319.328	1.873	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CCCN2C(C)C)c(F)c1	822244411	YTFWMCLYOKKZSH-AWEZNQCLSA-N	323.368	1.928	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccsc1C(F)F	823475348	PWMSQTSKUHHWMQ-BQBZGAKWSA-N	304.318	1.872	50	20	DDGD	
CCN(CC)c1ccnc(NNC(=O)[C@H](NC(=O)O)C(C)C)n1	827052453	SKWQQGMHEILWLK-LLVKDONJSA-N	324.385	1.058	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)OC(C)(C)C)[C@@H]1CCOC1	494021966	AFOHCAHPPZQQOZ-GFCCVEGCSA-N	313.398	1.820	50	20	DDGD	
O=C(NNC(=O)c1ccn(CCc2ccccc2)n1)NC1CC1	822782532	VFZOUXISWAUNDR-UHFFFAOYSA-N	313.361	1.232	50	20	DDGD	
CCCN(NC(=O)CN1CSCC1=O)C(=O)OC(C)(C)C	496965988	BYTNSKXFPYWYNM-UHFFFAOYSA-N	317.411	1.198	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)CCCc1ccc2c(c1)OCCCO2	823908014	RUYPDNFURJYLGU-CYBMUJFWSA-N	322.405	1.514	50	20	DDGD	
Cc1ccc(Cl)c(O[C@@H](C)C(=O)NN(C)C[C@@H](C)O)c1	821217977	SLTPFEMAOZTIQY-MNOVXSKESA-N	300.786	1.760	50	20	DDGD	
COc1ncc(/C=C/C(=O)NN=c2cc[nH]cc2Cl)cn1	492699044	AMKAIHZKVWMBND-NSCUHMNNSA-N	305.725	1.112	50	20	DDGD	
COCCOC[C@H](C)NC(=O)/C(C#N)=C\c1ccc(O)cc1	491085967	SOIMYQMURMBHKK-CJAAZZPWSA-N	304.346	1.467	50	20	DDGD	
CC(C)(C)OC(=O)NNC(=O)[C@H]1CCN(CC(F)(F)F)C1	492134105	OKKJNVGXIRRUHE-QMMMGPOBSA-N	311.304	1.427	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)Cn1cc(C2CC2)cn1	825089598	GRIOWONRGXEXMC-UHFFFAOYSA-N	312.373	1.541	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)c1cc(Cl)nc(N2CCCC2)c1	823959693	NWXSDVCRUJZANA-JTQLQIEISA-N	312.801	1.293	50	20	DDGD	
CC(=O)c1cc(C(=O)NN(C)[C@@H](C)CO)ccc1OC(C)C	823912192	BPIIQPYOEHFGMZ-NSHDSACASA-N	308.378	1.634	50	20	DDGD	
CCC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)[C@H]1CCOC1	736302437	FRUFQZZBSXXUQO-LBPRGKRZSA-N	314.349	1.399	50	20	DDGD	
C[C@@]1(Cc2ccccc2)CCCN1C(=O)c1cccc(B(O)O)c1	584974985	CVFOCMGKQAKINR-IBGZPJMESA-N	323.201	1.604	50	20	DDGD	
CCCn1nccc1C(=O)NNC(=O)Cc1ccccc1F	826936792	FNRHDPZWBQVHOI-UHFFFAOYSA-N	304.325	1.436	50	20	DDGD	
CCN(CC)Cc1ccccc1NCc1ccc(B(O)O)o1	585013145	NBTYCIUKBJQJGX-UHFFFAOYSA-N	302.183	1.413	50	20	DDGD	
C[C@@H]1OC(=O)N[C@H]1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	495936618	SCLBDEGZKUFAON-SSDLBLMSSA-N	314.685	1.188	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)[C@@H]1CCCCO1)N1CCc2ccccc21	833250347	FKXKRDDPPCJBGY-WFASDCNBSA-N	317.389	1.154	50	20	DDGD	
CC(C)C[C@@H](C(N)=O)C(=O)NNc1nccc2sccc12	839683845	QOVFIFQIXFWNTA-JTQLQIEISA-N	306.391	1.887	50	20	DDGD	
CC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)[C@H]1C[C@H]2CC[C@H]1O2	834929184	JQQWVEVTRAYYKZ-MGPQQGTHSA-N	318.333	1.850	50	20	DDGD	
O=C(N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12)c1cc(B(O)O)ccc1F	584935339	HIAMUZIKLZTVNU-PICPHLGASA-N	317.169	1.060	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC[C@](F)(C(=O)O)C1	909306237	FHXOPQGEYQTBOC-WRWORJQWSA-N	310.163	1.821	50	20	DDGD	
CCO[C@@H]1CCCC(=NNC(=O)CNC(=O)OC(C)(C)C)C1	905462050	ZBHGQNXONRRPHB-GFCCVEGCSA-N	313.398	1.962	50	20	DDGD	
CC(C)(CNC(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccc1	836216897	FFXTUSDPNDOUJP-AWEZNQCLSA-N	319.405	1.864	50	20	DDGD	
COc1cccc([C@@H]2C[C@H]2C(=O)NNc2nccc(OC)n2)c1	730208853	RKTFFPMRQUZPED-QWHCGFSZSA-N	314.345	1.741	50	20	DDGD	
CC(C)(CCNC(=O)c1cc(B(O)O)ccc1F)C(F)(F)F	584986451	DORGIKYEGWCZKL-UHFFFAOYSA-N	321.079	1.214	50	20	DDGD	
CCn1nc(C(=O)NNc2nccc3sccc23)ccc1=O	734247167	WTIBDXKCXGBHRW-UHFFFAOYSA-N	315.358	1.630	50	20	DDGD	
O=C(NCCc1cccs1)NN=Cc1cnc2n1CCOC2	905440714	SUMIGEDDVLDWJZ-UHFFFAOYSA-N	319.390	1.351	50	20	DDGD	
O=C(Nc1cccc(B(O)O)c1)c1cc(C2CCCCC2)[nH]n1	584910785	DROBHTKAUGSCBH-UHFFFAOYSA-N	313.166	1.390	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)CCc1cccnc1	732305711	QBFJCQBWOLMJMU-UHFFFAOYSA-N	319.386	1.561	50	20	DDGD	
CON(C)C(=O)CCC(C)=NNC(=O)c1cccc([N+](=O)[O-])c1	834915283	YAJGBYWBGOZTAX-UHFFFAOYSA-N	322.321	1.501	50	20	DDGD	
CS[C@@H](c1nc(-c2cccc(B(O)O)c2)no1)C(C)(C)C	585054626	YSWZFCFIKJSFSC-NSHDSACASA-N	306.196	1.867	50	20	DDGD	
CC[C@@H](NCc1ccccc1B(O)O)[C@H](O)c1ccccc1F	585027369	RFWQURWGPXDSAE-IAGOWNOFSA-N	317.169	1.107	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)C2(C(=O)C3CC3)CC2)cc1	831940123	PJHPQQYNNIEDGK-UHFFFAOYSA-N	317.345	1.607	50	20	DDGD	
CC[C@@H](NS(=O)(=O)CCl)[C@H](O)c1c(F)cccc1F	830750025	CAKVMUIUXNVCAT-KOLCDFICSA-N	313.753	1.893	50	20	DDGD	
CON1CCC(=NNC(=O)[C@@H](C)CN2CCC(C)CC2)CC1	834932836	KYZLLSAISGGECJ-AWEZNQCLSA-N	310.442	1.484	50	20	DDGD	
CN(C(=O)CCCC[C@@H]1CCSS1)C1CS(=O)(=O)C1	913146353	SJTWANKWUKFAGF-LLVKDONJSA-N	323.505	1.956	50	20	DDGD	
CCCCC[C@H](O)C(=O)NNC(=O)CCc1ccc(OC)cc1	832884535	VNEAGHUGBJLCEH-HNNXBMFYSA-N	322.405	1.716	50	20	DDGD	
CNc1cc(C(=O)NNc2ccnc(N(C)C)n2)cc(Cl)n1	740104728	QUKZVYIITSFTEO-UHFFFAOYSA-N	321.772	1.390	50	20	DDGD	
CC(C)(C)OC(=O)NCCC(=O)NNc1cccc(C(=O)O)c1	833443371	XBOYQYQOUHZSMX-UHFFFAOYSA-N	323.349	1.743	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2cc(Br)c[nH]2)CCN1C	741463011	ZKMOGMVLGIJVNB-QMMMGPOBSA-N	313.199	1.977	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1cccc[n+]1[O-]	917215999	OKPJICHBANLTFF-UHFFFAOYSA-N	308.681	1.639	50	20	DDGD	
CN(C)c1cccc(C(=O)NN=C2COc3cc(O)ccc32)c1	915945470	VBQAZRAEDXZBKL-UHFFFAOYSA-N	311.341	1.985	50	20	DDGD	
CC[C@H]1CCCC[C@H]1CNC(=O)NNC(=O)c1ncccn1	841588137	ZLZLACJJMWCICU-RYUDHWBXSA-N	305.382	1.637	50	20	DDGD	
CSSCCNC(=O)C1=C(C)N(C)c2nnnn2[C@H]1C	848052704	HXJIRMIVCJAVLD-QMMMGPOBSA-N	314.440	1.085	50	20	DDGD	
CC(C)c1c(Cl)ncnc1NNC(=O)CN1CCOCC1	840547885	WEMXDLDCFLTPRZ-UHFFFAOYSA-N	313.789	1.029	50	20	DDGD	
CC(=NNC(=O)C(=O)N1CCCC1)c1ccc(C)c([N+](=O)[O-])c1	748137349	BIYPNRNXZHBVHK-UHFFFAOYSA-N	318.333	1.366	50	20	DDGD	
COc1ncnc(N)c1C=NNC(=O)c1cccc2ncccc12	747631302	IEQYYUPXWCNDRB-UHFFFAOYSA-N	322.328	1.380	50	20	DDGD	
O=C(O)COc1ccc(C=NNC(=O)CCc2ccco2)cc1	748144356	FDPNUXIDJOIYEK-UHFFFAOYSA-N	316.313	1.826	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H](C)CC(=O)c1ccc(Cl)cc1	910160830	OOUKZEQJJVRRHI-MNOVXSKESA-N	312.797	1.893	50	20	DDGD	
O=C(NNC(=O)[C@@H](O)c1cccnc1)c1cccc2ccccc12	743501811	RNAPNBMHYNPJEX-INIZCTEOSA-N	321.336	1.729	50	20	DDGD	
CC(C)(C)C[C@@H]1C[C@H]1NC(=O)NN[C@]1(C)CCS(=O)(=O)C1	845382705	GSXLXTTYEVGRMG-MISXGVKJSA-N	317.455	1.192	50	20	DDGD	
CCCN1CCC[C@H]1C(=O)NNC(=O)COc1ccc(F)cc1	749561307	OVKKSHYBRLLQQR-AWEZNQCLSA-N	323.368	1.226	50	20	DDGD	
CC[C@H](C)C[C@@H](C)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	745887405	ABRIYWMEYYZTSA-LOWVWBTDSA-N	305.444	1.192	50	20	DDGD	
Cn1ncc2c1CCCC2=NNC(=O)c1ccc(Cl)nc1	915975986	NSPUVIPTIDBPTP-UHFFFAOYSA-N	303.753	1.939	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2ncc(F)cc2F)CCCC1	843903844	PWVDXGWOEMUIQR-UHFFFAOYSA-N	313.304	1.926	50	20	DDGD	
COc1ccc(OCC(=O)NN=Cc2cnc(C)s2)cc1	917534209	VUJBUZOJQVJWDE-UHFFFAOYSA-N	305.359	1.989	50	20	DDGD	
CC(C)C[C@H](C(=O)NNC(=O)C(=O)NC1CC1)c1ccccc1	740815953	UPOMYBXTJXBWHW-AWEZNQCLSA-N	317.389	1.242	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNC(=O)COc1cc(C)ccc1C	841376620	WGTKSIHJKIWKNQ-HNNXBMFYSA-N	322.405	1.891	50	20	DDGD	
CCc1ccc(C(=O)NN=Cc2c(CO)cnc(C)c2O)cc1	916329367	GFLIBBIOLZOOTC-UHFFFAOYSA-N	313.357	1.914	50	20	DDGD	
CO[C@@H](CC(C)C)C(=O)NNc1ccc(-n2ccnc2)nn1	841436390	QPTNYHZIIPJBLZ-NSHDSACASA-N	304.354	1.167	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc3nccn3c2)n1	748336189	UIRZSOADKZMBQV-UHFFFAOYSA-N	302.725	1.843	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1nsc2ccccc12	911502599	KDKHQZRJZUUEGU-RKDXNWHRSA-N	305.359	1.482	50	20	DDGD	
Cc1ccccc1OCC(=O)NNc1ccnc(N(C)C)n1	740107660	JRSUAMMMOYWLOY-UHFFFAOYSA-N	301.350	1.373	50	20	DDGD	
Cc1ccc2snc(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)c2c1	843660846	MGMWRDYKYASVNO-ZJUUUORDSA-N	319.386	1.791	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(C)nn2)c1	840236951	AESAMNUHIBMSSC-UHFFFAOYSA-N	314.345	1.242	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)COc1ccc(C)c(C)c1)[C@H](C)O	842223324	HGGZOEBHOKORNX-JSGCOSHPSA-N	308.378	1.237	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)c1cnc2ccccc2c1C	748709002	MCPZBNZBYYICGV-UHFFFAOYSA-N	309.329	1.650	50	20	DDGD	
COCCO[C@H](C)C(=O)NNC(=O)N[C@@H](C)CCC(C)(C)C	748633739	SCWLOUHISARJSO-NWDGAFQWSA-N	317.430	1.583	50	20	DDGD	
COc1ccc(NCC(=O)NN=C[C@]2(OC)CCOC2)cc1	841602159	ALOFGOBIDMTTCK-OAHLLOKOSA-N	307.350	1.015	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=C1CCCC[C@@H]1N1CCCCC1	748780491	JJDLKVRANGQQPF-AWEZNQCLSA-N	308.426	1.412	50	20	DDGD	
Cc1ccoc1CC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	849869846	LEUAQOUSXIQHFR-LLVKDONJSA-N	310.350	1.256	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1ccn(CC)n1)c1ccccc1	843546418	FDWZAEPZSTZGNR-CYBMUJFWSA-N	300.362	1.858	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(N(C)C)c(F)c1	843645181	LWSMDZSQARZXEB-KOLCDFICSA-N	309.341	1.078	50	20	DDGD	
CC(C)N1CCC[C@H]1C(=O)NNC(=O)c1cc2c(s1)CCC2	929280022	PVYNEDOLYZVFHN-LBPRGKRZSA-N	321.446	1.871	50	20	DDGD	
CCOC(=O)C[C@@H](CNC(=O)NNc1ccncn1)CC(C)C	846721491	DVANMGMRSAKIMU-LBPRGKRZSA-N	323.397	1.718	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)CSCC#N)c1C	854184719	HUPGKXWEAINKSB-UHFFFAOYSA-N	308.432	1.878	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)c2cc[nH]n2)cc1OCC	855362493	TUCONBVAOPEWBM-UHFFFAOYSA-N	318.333	1.282	50	20	DDGD	
C[C@H]1CC[C@H](C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)C1	855833249	IKUVUWFKNXYIFG-RYUDHWBXSA-N	311.426	1.513	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cc2n(n1)CCCC2)C1CC1	855096438	WGJZQTPTJDIIFJ-SECBINFHSA-N	307.423	1.127	50	20	DDGD	
Cc1nc(-c2c[nH]c(C(=O)NNC(=O)NCC3CC3)c2)cs1	920859127	PGHZASHGZODKFQ-UHFFFAOYSA-N	319.390	1.801	50	20	DDGD	
Cc1nnc(NNC(=O)[C@@]2(c3ccccc3)CC2(C)C)nc1O	856794983	ZBRCLGMLOJRVTG-INIZCTEOSA-N	313.361	1.697	50	20	DDGD	
CCc1noc(COCC(=O)OC[C@@H](C)CBr)n1	923717519	MRQNDHCJSXJZMH-QMMMGPOBSA-N	321.171	1.723	50	20	DDGD	
C[C@]1(CNC(=O)NCCc2cnccn2)C[C@@H]1Br	856846836	NMTHNKXDLPBEPA-CMPLNLGQSA-N	313.199	1.492	50	20	DDGD	
COc1cccc(NCC(=O)NNC(=O)C2(OC)CCCC2)c1	754173257	BUVCUKLAMKYEAO-UHFFFAOYSA-N	321.377	1.214	50	20	DDGD	
C[C@@H](CC(=O)NNC(=S)N[C@H](C)C1CC1)c1ccncc1	855099035	QCWVKVKXLSGDJP-WDEREUQCSA-N	306.435	1.869	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](c2ccccc2)[C@H]1C	751500199	SYTXDMALYUOXJR-IPYPFGDCSA-N	303.406	1.810	50	20	DDGD	
CC[C@H](C)[C@H](C)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C	855833048	HFYZWYAXIOAUCT-RYUDHWBXSA-N	313.442	1.759	50	20	DDGD	
CSc1ccc(C(=O)NNc2ccc(C(N)=O)nn2)cc1	757408434	TXBFJXMMGYFFFF-UHFFFAOYSA-N	303.347	1.054	50	20	DDGD	
NC(=O)[C@H](Cc1ccccc1)NNC(=O)c1c[nH]c2ccccc12	758142250	DHYFVDHFYDUVGB-INIZCTEOSA-N	322.368	1.499	50	20	DDGD	
Cn1cnc2cccc(C(=O)NNC(=O)OCC(F)(F)F)c21	856020664	OXQHFWVKGWRGMC-UHFFFAOYSA-N	316.239	1.507	50	20	DDGD	
C[C@]1(CNC(=O)N2CC[C@@]3(CCNC3)C2)C[C@H]1Br	857106115	YTDWNDZQSDWSOC-RAIGVLPGSA-N	316.243	1.555	50	20	DDGD	
O=C(NCC[C@@]1(O)CCCOC1)NNc1cc(F)ccc1F	923089288	XUVKUIWGTLJLBE-AWEZNQCLSA-N	315.320	1.523	50	20	DDGD	
C[C@H]1CN(C[C@@H](CBr)C2CC2)C[C@@H](C)N1CCO	859324918	PLEWGAKMJKASKM-MBNYWOFBSA-N	319.287	1.794	50	20	DDGD	
CNC(=S)N(C)NC(=O)Cc1nc(-c2ccsc2)oc1C	854925083	ANAPWFRVDUCHEW-UHFFFAOYSA-N	324.431	1.721	50	20	DDGD	
C[C@]1(CN2C(=O)[C@@H]3CC(F)(F)CN3C2=O)C[C@H]1Br	925005079	HKPHGSPSOIXSBV-NYNCVSEMSA-N	323.137	1.832	50	20	DDGD	
O=C(CCC(=O)c1ccccn1)NNC(=O)OCC(F)(F)F	856022453	DMZZSYMBPTWXKO-UHFFFAOYSA-N	319.239	1.364	50	20	DDGD	
CCOCCC1(CNC(=O)NNC(=O)c2cccc(F)n2)CC1	852223258	RIHMQKBXGYXKNY-UHFFFAOYSA-N	324.356	1.372	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(CCN(C)C)cc2)nc(C)n1	857129882	BIPQYZWUEIELOS-UHFFFAOYSA-N	313.405	1.954	50	20	DDGD	
CCc1ncc(NC(=O)NNC(=O)c2ccccc2F)cn1	757748566	IJEAICGDUSERHB-UHFFFAOYSA-N	303.297	1.645	50	20	DDGD	
CC[C@H](NC(=O)NNC(=O)Nc1ccc2c(c1)OCO2)C1CC1	852596045	XELKEVHVEGASJZ-NSHDSACASA-N	320.349	1.940	50	20	DDGD	
CCO[C@H]1COCC[C@@H]1NC(=O)NNc1ccc(Cl)cn1	852252805	LHZWYYUSFHXQHW-QWRGUYRKSA-N	314.773	1.555	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)Cc2cscn2)cc1	854509937	FLWPXWBGECGFMU-UHFFFAOYSA-N	319.386	1.474	50	20	DDGD	
O=C(NNC(=O)c1n[nH]c2c1CCCCC2)c1cccc(F)n1	856426958	KPDNTCIOSORDFM-UHFFFAOYSA-N	317.324	1.288	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)CSc2ccccc2O)CCOC1	754426725	JPTBIGMRWRVFRT-CQSZACIVSA-N	310.375	1.058	50	20	DDGD	
O=C(NN=c1cc[nH]c2ccccc12)[C@@H]1CSCCS1	751068655	TYIYZRCVXRXXMA-ZDUSSCGKSA-N	305.428	1.948	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)[C@H](O)CCc1ccccc1)C1CC1	855099441	ZDZBHYVSRTUHKM-SMDDNHRTSA-N	321.446	1.274	50	20	DDGD	
Cc1c(CC(=O)NC[C@]2(C)C[C@@H]2Br)cnn1C	857387622	KNANGGIIEVVLSC-JQWIXIFHSA-N	300.200	1.561	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)c1cn(C)nc1C	750943677	NHVBGQSFHADFDB-UHFFFAOYSA-N	319.390	1.060	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)NC[C@@H]2COCCN2)cc1	861683176	GLLPGXPHWDZUPG-CQSZACIVSA-N	306.410	1.599	50	20	DDGD	
OB(O)c1ccc(CNCCCSc2nccs2)cc1	863888950	ZDMYSXVPBVXPHZ-UHFFFAOYSA-N	308.237	1.095	50	20	DDGD	
O=C(NNC(=O)[C@]1(c2ccccc2)CCCO1)NC1CCCC1	930964777	INFDIHDAYDSSAH-QGZVFWFLSA-N	317.389	1.965	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21	761787298	PXWBYVLZNRSWEJ-YIZRAAEISA-N	309.288	1.227	50	20	DDGD	
CSc1ccc(NC(=O)C(=O)NNC(=O)c2ccc[nH]2)cc1	763980843	NZNTXIKJIQWFFB-UHFFFAOYSA-N	318.358	1.136	50	20	DDGD	
Cc1cc(=NNC(=O)[C@@H](C)n2ccc(C(F)(F)F)n2)cc[nH]1	869389445	XWDFDRHTEUIYFO-SECBINFHSA-N	313.283	1.732	50	20	DDGD	
COC(=O)c1ccc(C(C)=NNC(=O)Cc2cc(C)[nH]n2)cc1	767763663	IZKPPZSLMZLUII-UHFFFAOYSA-N	314.345	1.588	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@@H](OC)C(C)C)cc1OC	769725985	HNBJHIICSBEBDW-ZDUSSCGKSA-N	310.350	1.136	50	20	DDGD	
Cn1c(O)nc2cc(C(=O)NNc3nc4ccccc4[nH]3)ccc21	768495023	IDAJFAADRMOGTA-UHFFFAOYSA-N	322.328	1.912	50	20	DDGD	
C[C@@H](CC(=O)NN[C@H](C)C(F)(F)F)NC(=O)OC(C)(C)C	862310651	CNOGXUKGRJIXFS-JGVFFNPUSA-N	313.320	1.861	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)[C@H](C)c1ccccn1	768733497	KPPBBMNBCDHFQF-CHWSQXEVSA-N	306.410	1.656	50	20	DDGD	
COCc1ccc(C=NNC(=O)[C@@H]2COc3ccccc3O2)o1	764653533	GUWFNNJZHKTXFJ-HNNXBMFYSA-N	316.313	1.716	50	20	DDGD	
Cn1c(C(=O)NCCCSC#N)cc(=O)c2ccccc21	868090482	IPLUFEKUEFDULL-UHFFFAOYSA-N	301.371	1.873	50	20	DDGD	
Cc1cc(=NNC(=O)c2c(C)nn(CC(F)F)c2C)cc[nH]1	862514406	LQANAGAZZBRTOX-UHFFFAOYSA-N	309.320	1.647	50	20	DDGD	
CC(C)(C)C1CCC(=CC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1	862457477	KHYLJFMYYWALEB-ZGTCLIOFSA-N	321.421	1.575	50	20	DDGD	
C[C@@H]1C[C@@H](N)CN1S(=O)(=O)c1ccc(CCCCl)cc1	866792486	CWYQHUZMNQDZCW-DGCLKSJQSA-N	316.854	1.968	50	20	DDGD	
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NNc1ccc(Cl)nc1	766285233	RGLQEWLTFUNFGU-ZJUUUORDSA-N	311.773	1.276	50	20	DDGD	
O=C(NNc1cccnn1)c1ccc(OCC(F)(F)F)cn1	765500759	YZIIEQFPAIFPQQ-UHFFFAOYSA-N	313.239	1.570	50	20	DDGD	
COc1cc(C#N)ccc1OCC(=O)NN[C@H](C)C(F)(F)F	862306387	KELFNTOBXCUBRT-MRVPVSSYSA-N	317.267	1.517	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)N2C[C@H]3[C@H](N(C)C)[C@H]3C2)cc(C#N)n1C	861910035	XTRMFWHHQYPRDO-AFPLGFSSSA-N	323.400	1.131	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc2c(c1)OCC(=O)N2)C(F)(F)F	862305226	KXIYDCDPLUQYLQ-ZCFIWIBFSA-N	303.240	1.203	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)c([N+](=O)[O-])c1	768332036	NDORYFPMAOJOKA-GBIKHYSHSA-N	307.306	1.614	50	20	DDGD	
C[C@H](C(=O)NNc1ccc(F)c(Cl)c1)[C@@H](C)S(C)(=O)=O	863081942	BTBCJATWQHTRJE-JGVFFNPUSA-N	322.789	1.991	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)CO)c1ccc(Br)cc1	863903934	YHBKFXKEIDASFU-JTQLQIEISA-N	315.167	1.082	50	20	DDGD	
COCCOCC(=O)NN=C1COc2c(C)cc(Cl)cc21	872400696	PDAXJFYEKHQSFV-UHFFFAOYSA-N	312.753	1.524	50	20	DDGD	
CC(C)Cn1cc(C(=O)NNc2nncc(N)c2Cl)cn1	1116528880	ZAUUIFALMVJGFH-UHFFFAOYSA-N	309.761	1.322	50	20	DDGD	
CN1CCN(c2ccc(C=NNC(=O)C(C)(C)C)cc2)CC1	771551106	QTWDOKFUYPMOGM-UHFFFAOYSA-N	302.422	1.935	50	20	DDGD	
COC[C@H](NC(=O)NN=c1cc[nH]c(C)c1)c1ccccc1	875214064	CSNVTZAIGLMUHB-HNNXBMFYSA-N	300.362	1.826	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(F)c(C)cc1F	772187972	ZEEWSKZFRVTPDG-MRVPVSSYSA-N	314.288	1.376	50	20	DDGD	
CC1=NO[C@H](CNC(=O)NNC(=O)c2cc3c(s2)CCC3)C1	875983614	ZSRCKTGJZQZMGF-JTQLQIEISA-N	322.390	1.346	50	20	DDGD	
CC(C)C(NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)C(C)C	770414710	FKHRTNWFBZSAHE-ZDUSSCGKSA-N	305.444	1.048	50	20	DDGD	
COC[C@@H](C)NC(=S)NNC(=O)C(C)(C)c1ccccc1	871215163	QMBZYUDEEIAZKJ-LLVKDONJSA-N	309.435	1.494	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)CCCOCC)c1	874950152	OFSKYXUGVQZIHJ-UHFFFAOYSA-N	305.403	1.802	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)c2cccc(O)c2O)c1	776314588	KBJLVXWFAIBGSK-UHFFFAOYSA-N	316.313	1.246	50	20	DDGD	
COC(=O)N(C)NC(=O)NCc1ccc(N2CCCC2=O)cc1	875026415	PECCILFBBGYTLU-UHFFFAOYSA-N	320.349	1.226	50	20	DDGD	
CC(C)c1cc(NC(=O)C(=O)NNc2cccc(C#N)c2)no1	773686418	XIAYHLSQDBLXKO-UHFFFAOYSA-N	313.317	1.751	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1cc(F)cc(C(F)(F)F)c1	772839610	AOSMWARGTCCLNS-UHFFFAOYSA-N	319.258	1.819	50	20	DDGD	
CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)NNC(=O)C(C)C	775776589	DGOKEHDZMNTFOZ-ZWNOBZJWSA-N	311.357	1.888	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)CCC(=O)c1ccccn1	770213564	LBIFSZPHEQQYOA-UHFFFAOYSA-N	308.407	1.338	50	20	DDGD	
CC(=O)NCc1cn([C@]2(Cl)C[C@@H]2CCBr)nn1	881382979	RVNXXAZGCLPPIG-WCBMZHEXSA-N	321.606	1.611	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)Nc1ccc2c(c1)NC(=O)C2	889707773	CSNFBPVYROEALS-UHFFFAOYSA-N	316.239	1.286	50	20	DDGD	
CCCN1C[C@@H](C(=O)NNc2c(F)cc(F)cc2F)CC1=O	885154155	YKOWQDWATHNSTK-QMMMGPOBSA-N	315.295	1.806	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccn(Cc2ccccc2)n1	772424089	RFPLILCPEIEUGJ-UHFFFAOYSA-N	313.361	1.285	50	20	DDGD	
CN1C(=O)CCC[C@H]1C(=O)NNc1c(F)cc(F)cc1F	885155528	VLKSCUMWZOPWCP-JTQLQIEISA-N	301.268	1.558	50	20	DDGD	
Cn1c(CC(=O)NNC(=O)c2nccs2)nc2ccccc21	770109863	FZXHFMBGFGSVDO-UHFFFAOYSA-N	315.358	1.034	50	20	DDGD	
Cc1cccc(NNC(=O)c2nn(C)c(C)c2Br)n1	1123840247	RNAXCGISPJLDQR-UHFFFAOYSA-N	324.182	1.951	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)C(C)C)cc1N1CCNC1=O	786356835	CRJHZGRLOYRWOD-UHFFFAOYSA-N	319.365	1.333	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1cccnn1)[C@@H]1C[C@H]2CC[C@H]1C2	883038741	RHJVBOTZBMIZFS-RHYQMDGZSA-N	303.366	1.245	50	20	DDGD	
Cc1[nH]c(C=O)cc1C(=O)NNC(=O)COc1ccc(F)cc1	785690882	MCRJJUMDYVVGCG-UHFFFAOYSA-N	319.292	1.115	50	20	DDGD	
O=S(=O)(CCCCl)NCc1cn(-c2ccccc2)nn1	881980680	ADISWUHSXPMKNE-UHFFFAOYSA-N	314.798	1.316	50	20	DDGD	
O=C(NNc1ccnc(F)c1)Nc1ccc2c(c1)C(=O)NC2=O	781161464	RCDNRELBLKTINF-UHFFFAOYSA-N	315.264	1.253	50	20	DDGD	
CC[C@@H](C)CCCCC(=O)NNC(=O)CNC(=O)c1ccco1	783954031	OCOLXGVZIXLXKM-GFCCVEGCSA-N	323.393	1.763	50	20	DDGD	
COC(=O)[C@H](CC(F)F)NS(=O)(=O)CCCCCl	780825749	VJPRIYKTGXOHJE-ZETCQYMHSA-N	307.746	1.122	50	20	DDGD	
C[C@H](C#N)CNC(=O)NNC(=O)CCSc1ccc(F)cc1	781950498	MCAXOWSIYDAUNT-SNVBAGLBSA-N	324.381	1.798	50	20	DDGD	
Cc1cccnc1C=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1	781584912	CHOIEEGVFPWWEY-ILXRZTDVSA-N	318.421	1.585	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)[C@H]1CCCN1c1ccccc1	787200198	COCHDVRLUMXICA-CQSZACIVSA-N	302.378	1.396	50	20	DDGD	
CC(C)[C@H](NS(=O)(=O)CCCCCl)C(=O)N1CCCC1	780776523	MOZPTHIARRHMBL-LBPRGKRZSA-N	324.874	1.572	50	20	DDGD	
COC[C@H](CNC(=O)NNc1cc(F)c(F)cc1F)OC	781387567	MGNUDTYEWOFICC-ZETCQYMHSA-N	307.272	1.391	50	20	DDGD	
COc1cc(C)ccc1C(=O)NNC(=S)NCCSC	780986923	HQZDLBJLNIVITD-UHFFFAOYSA-N	313.448	1.476	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)COC(=O)C2=CCCCC2)cc1	782459417	YHDJFRYVWSYYJZ-UHFFFAOYSA-N	316.357	1.800	50	20	DDGD	
COC(C)(C)CC(=O)NNC(=O)c1cnn(-c2ccccc2)c1	783460951	LETWKBLKXHYHHV-UHFFFAOYSA-N	316.361	1.448	50	20	DDGD	
CC1(C)CCN(CCNC(=O)NNc2nc3ccccn3n2)C1	898592464	MMVBVECBVWBLAU-UHFFFAOYSA-N	317.397	1.087	50	20	DDGD	
CCCCNC(=O)NNC(=O)CCCc1ccc(O)c(F)c1	786828439	YGRIKIGMPNEHFK-UHFFFAOYSA-N	311.357	1.985	50	20	DDGD	
O=C(NNc1cccc(Cl)c1)C(=O)Nc1cncc(F)c1	799259554	BVQTVQRBFOBPDC-UHFFFAOYSA-N	308.700	1.956	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@@H]1CCC[C@@H](OC)C1	796057415	UAJNYFOIVOCZIN-QJPTWQEYSA-N	314.382	1.071	50	20	DDGD	
N#C/C(=C/c1ccc(O)c(Br)c1)S(N)(=O)=O	798229589	FRMRFZJRXCWSRZ-CLTKARDFSA-N	303.137	1.308	50	20	DDGD	
COc1ccnc(NNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)n1	792053383	VJENYRPDIKCHMH-ZDUSSCGKSA-N	322.328	1.182	50	20	DDGD	
CCNC(=O)NNC(=O)c1c(-c2ccccc2C)noc1C	793208180	UADNMXPSSMKCPY-UHFFFAOYSA-N	302.334	1.922	50	20	DDGD	
CSSCCNC(=O)CCc1c(C)nc(O)nc1O	791113472	JQPMSTXWDFOPPI-UHFFFAOYSA-N	303.409	1.256	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)CCC(C)(C)O)cc1	792802112	FUNQPWOGTWVOEX-UHFFFAOYSA-N	308.378	1.326	50	20	DDGD	
CS[C@H]1CC[C@H](NC(=O)NNC(=O)c2cccc(C)n2)C1	792964821	HVHWWORZVOCLNK-QWRGUYRKSA-N	308.407	1.618	50	20	DDGD	
CC(C)=C(C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	798308042	NMHYCEDIDLNAIG-UHFFFAOYSA-N	303.362	1.746	50	20	DDGD	
CCOC(=O)C1CCC(=NNC(=O)N2CCN(C)CC2)CC1	790178960	OWVDVMWBRKGBTB-UHFFFAOYSA-N	310.398	1.053	50	20	DDGD	
C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(Cl)Cl	1528417290	KRHYHCXYPSMDSV-SVRRBLITSA-N	315.197	1.180	50	20	DDGD	
COc1ccc(/C=C(\C#N)C(=O)C(C)C)cc1OCC(N)=O	1317918647	YMWOPSHWHDFEND-WUXMJOGZSA-N	302.330	1.691	50	20	DDGD	
Cc1cc(C(=O)NNC(=S)NC(C)C)nn1[C@@H](C)C1CC1	1319864980	XLDDVILZLYJADI-JTQLQIEISA-N	309.439	1.680	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NCCCNC(C)C)cc1	1325679224	DTOIBXFSEPVLNL-UHFFFAOYSA-N	308.382	1.027	50	20	DDGD	
CC(C)OCCCNC(=O)/C(C#N)=C\c1cccnc1N(C)C	1323088824	UGIRZSXAZBAKSO-PTNGSMBKSA-N	316.405	1.986	50	20	DDGD	
Cc1cc2c(cc1C)[C@@H](C(=O)NNC(=S)NC(C)C)CO2	1325677239	YEVIPGHOVGIUTP-LBPRGKRZSA-N	307.419	1.683	50	20	DDGD	
CC[C@H](CS(=O)(=O)NNC(=O)c1ccccc1Cl)OC	1325458900	LRVVKFVHXRANCS-SECBINFHSA-N	320.798	1.329	50	20	DDGD	
CC(C)C1CCC(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CC1	1328130359	CMQQAVOCZOYPNK-RYSNWHEDSA-N	311.426	1.957	50	20	DDGD	
C[S@@](=O)c1ccc(C=NNC(=O)c2ccc(O)c(O)c2)cc1	1326872883	DQEUZKQIFWXJKY-JOCHJYFZSA-N	318.354	1.599	50	20	DDGD	
Cn1nc2ccccc2c1C(=O)NNC(=O)CC1CCCC1	1324162343	QQKDIEGGUPOHJF-UHFFFAOYSA-N	300.362	1.915	50	20	DDGD	
C[C@H](NC(=O)NNc1nncc(N)c1Cl)[C@H]1CCCOC1	1254358805	LMUUUVUTXSFIJK-YUMQZZPRSA-N	314.777	1.153	50	20	DDGD	
CN(C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br)C1CCC1	1329557034	KKYXNJJFGKAGSW-JOYOIKCWSA-N	303.200	1.287	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CC2CCN(C)CC2)cc1	1330103563	CSCXTHVNEWHPCN-UHFFFAOYSA-N	305.378	1.188	50	20	DDGD	
O=C(NNc1ccc(F)c(Cl)c1)[C@@H]1OC[C@@H]2COCC[C@@H]21	1262635191	HUIGQUNZOJKXSQ-GMOODISLSA-N	314.744	1.974	50	20	DDGD	
C=C(C)CCC(=O)NNC(=O)c1csc(N2CCOCC2)n1	1346264275	NLOPLSCNAJQMJH-UHFFFAOYSA-N	324.406	1.097	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1c[nH]nc1C1CC1	1346597542	CELAQHRBJORDCK-UHFFFAOYSA-N	310.321	1.020	50	20	DDGD	
NC(=O)C[C@@H](NC(=O)C1CCC(Cl)CC1)C1CCOCC1	1351519035	BHORHFKRDPBGME-WXRRBKDZSA-N	316.829	1.571	50	20	DDGD	
Cc1nn(C)c(C)c1C(=O)C(=O)NNc1ccccc1C(=O)O	1600768753	WAMGNQTXWVXIOU-UHFFFAOYSA-N	316.317	1.061	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)c1cc(C(=O)O)on1	1608481293	DFJWQQMRAWLJJA-UHFFFAOYSA-N	301.180	1.547	50	20	DDGD	
O=C(O)[C@@H]1[C@H]2CCC[C@@H]2CN1CCI	1601757742	ZFLAGBJMLXRLAX-VGMNWLOBSA-N	309.147	1.607	50	20	DDGD	
CC(=O)[C@@H]1C[C@H](C(=O)NNc2ccc(C(=O)O)cn2)C1(C)C	1603089352	XIGIIYQDUCZNJB-WDEREUQCSA-N	305.334	1.474	50	20	DDGD	
CSSCCNC[C@H](O)c1ccc(-c2nn[nH]n2)cc1	1609371927	DQQCLHIGTCHZNU-NSHDSACASA-N	311.436	1.501	50	20	DDGD	
O=C(O)c1cc(NNC(=O)c2cnn3c2NCCC3)ccc1F	1608856644	ILELIGHBMRXCRL-UHFFFAOYSA-N	319.296	1.293	50	20	DDGD	
Cc1cc(COCC(=O)NNc2ccc(CC(=O)O)cc2)on1	1600215245	PUBCPVXSTMIPSU-UHFFFAOYSA-N	319.317	1.270	50	20	DDGD	
CC(C)OC(=O)/C(C#N)=C/c1cccc(F)c1-c1nn[nH]n1	1603340949	MZLICMXYOIDHQZ-UXBLZVDNSA-N	301.281	1.864	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)O[C@H](C(=O)O)C2CC2)cc(C#N)n1C	1607523948	AKDXEUOORQFRCA-CLUXPMKYSA-N	313.313	1.519	50	20	DDGD	
O=C(COCC(F)(F)F)NNc1ccc(F)c(C(=O)O)c1	1601336866	IXQSDOQORXUJQZ-UHFFFAOYSA-N	310.203	1.546	50	20	DDGD	
C[C@@H](CC(=O)O)C(=O)NNc1ncccc1C(=O)OC(C)(C)C	1604094546	ACNUPTYXKCXGFX-VIFPVBQESA-N	323.349	1.591	50	20	DDGD	
O=C(/C=C/c1ccncn1)NNc1ccc(C(=O)O)c(Cl)c1	1608288492	MQHLROGPGRRQRV-DUXPYHPUSA-N	318.720	1.985	50	20	DDGD	
Cc1noc(C)c1CC(=O)NNc1cccc(C(=O)O)c1F	1600807820	AZRJMEHEJVVPTQ-UHFFFAOYSA-N	307.281	1.815	50	20	DDGD	
O=C(/C=C\C1CC1)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1609516733	KGFSEXNKDRHOFT-UTCJRWHESA-N	304.741	1.929	50	20	DDGD	
C=C(CBr)CN1CCCC[C@]1(COC)C(=O)O	1602772417	XNYBQSMRCMMCMH-LBPRGKRZSA-N	306.200	1.893	50	20	DDGD	
C[C@@H](CBr)COC(=O)c1c[nH]c(-c2nn[nH]n2)c1	1609108301	JQNVOIMCORNQQP-LURJTMIESA-N	314.143	1.383	50	20	DDGD	
O=C(O)[C@@H](C(=O)NNc1nnc(-c2ccccn2)s1)C1CC1	1605901320	PFXOOUJWWQUJEQ-SECBINFHSA-N	319.346	1.154	50	20	DDGD	
CO[C@@H]1COCC[C@H]1CC(=O)NNc1cccc(C(=O)O)c1	1610241847	YXGXZKGBQLEAAH-GXFFZTMASA-N	308.334	1.270	50	20	DDGD	
O=C(NN=CCc1ccc(F)cc1)[C@H]1CN2CCC[C@@H]2CO1	1549319033	SBFRAOKLCPBXRK-HUUCEWRRSA-N	305.353	1.333	50	20	DDGD	
CN(C)c1cccc(NC(=O)NNc2cccc(C(=O)O)c2)n1	1610106915	VGUKROSYLBWTAH-UHFFFAOYSA-N	315.333	1.994	50	20	DDGD	
CCC(COC)=NNC(=O)[C@H]1CCCO[C@@H]1c1nccn1C	1549312486	WGWOCQNHSHSYRH-STQMWFEESA-N	308.382	1.416	50	20	DDGD	
O=C(O)c1ccc(C(=O)NNC(=O)[C@H]2CCCS2)c(F)c1	1610823274	GLAUARZAKGTDBZ-SNVBAGLBSA-N	312.322	1.181	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(F)CC1)[C@H](F)Cl	1801477512	YQMRBFOQZIQGTR-JXUBOQSCSA-N	306.740	1.661	50	20	DDGD	
CN(NC(=O)CN(CCN)C(=O)OC(C)(C)C)c1ccccc1	1578506091	HCKNBSUZRDHTAN-UHFFFAOYSA-N	322.409	1.350	50	20	DDGD	
CC(C)(C)OC(=O)N1CC[C@H](C(=O)NN)C[C@H]1[C@@H]1CCCO1	1575173770	ZTDXCMKLTGUPST-SRVKXCTJSA-N	313.398	1.171	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1occc1N	1579155178	HJOFDDJJIOTOOT-UHFFFAOYSA-N	309.709	1.599	50	20	DDGD	
Cn1c(=NNC(=O)C2(N)CC3(CCC3)C2)sc2ccccc21	1579940101	PREKJIWSVKBIMI-UHFFFAOYSA-N	316.430	1.833	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(CC(=O)O)cc1)n1cccn1	1589575034	VIPPDDUGPATTTQ-UHFFFAOYSA-N	302.334	1.389	50	20	DDGD	
O=C(NNc1ccc(Cl)cc1)c1c[nH]nc1[C@@H]1CCNC1	1580737306	NQSMDOAIKJESGW-SECBINFHSA-N	305.769	1.897	50	20	DDGD	
Cc1ccoc1C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843363396	BDOZJRKTKHHPKF-LLVKDONJSA-N	314.744	1.939	50	20	DDGD	
O=Cc1ccc(-c2ccc(C(=O)NNC(=O)[C@@H]3CCN3)cc2)cc1	1580858805	VCPFDTMVKQIFDJ-INIZCTEOSA-N	323.352	1.289	50	20	DDGD	
Cc1nocc1C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1	1843362610	CESCUPVICRNTSM-SNVBAGLBSA-N	315.732	1.334	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)C1(C(=O)O)CCCCC1	1594415823	QDFWPADQYCNDCW-UHFFFAOYSA-N	304.346	1.791	50	20	DDGD	
COc1ccccc1C(=O)/C(C#N)=C\c1cc(C(=O)O)nn1C	1594139935	XJTIJCPNYOUKMS-YFHOEESVSA-N	311.297	1.917	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)NC/C=C(/C)C(=O)O)c1ccccc1	1594737320	TZTBXDHUTMPBHC-FUWURINLSA-N	319.361	1.542	50	20	DDGD	
C[C@H]1CNc2c(C(=O)NNc3cccc(C(=O)O)c3)cnn2C1	1594586870	KTIBPUZPIYHTMB-VIFPVBQESA-N	315.333	1.400	50	20	DDGD	
O=C(NNc1ncc(F)cc1F)c1ccsc1-c1nn[nH]n1	1593167241	DNIZUAVXWLKAEW-UHFFFAOYSA-N	323.288	1.358	50	20	DDGD	
O=C(O)Cc1ccccc1NC(=O)NNc1ncncc1Cl	1595136221	DESVHKSWVWKOQB-UHFFFAOYSA-N	321.724	1.906	50	20	DDGD	
CN(C)S(=O)(=O)/C(C#N)=C/c1cc(F)c(C(=O)O)c(F)c1	1777033805	USDJTXONAAVIIA-FPYGCLRLSA-N	316.285	1.419	50	20	DDGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C(=O)O)nn2C)cc1	1776119868	NXNDEYCPLNBESJ-YRNVUSSQSA-N	310.313	1.972	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)c1ncnn1C	1776046206	GAWIJBRWKFFKKM-UHFFFAOYSA-N	302.294	1.059	50	20	DDGD	
Cn1cc(C(=O)O)cc1C=NNC(=O)Cc1ccccc1F	1776043375	LBLPMPDLEJXWCF-UHFFFAOYSA-N	303.293	1.555	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl)C1=COCC1	1796809791	DHKHLEBWYFECAL-USZNOCQGSA-N	316.760	1.463	50	20	DDGD	
COCCC1(CNC(=O)NNC(=O)c2cccc(C#N)c2)CC1	150901275	GRDLELSJMJARSL-UHFFFAOYSA-N	316.361	1.319	50	20	DDGD	
CC[C@H](C)n1ncc2c(C(=O)NNC(=O)OC)cc(C)nc21	158690261	BVSCKFRXIWPALR-VIFPVBQESA-N	305.338	1.712	50	20	DDGD	
CC(C)(C(=O)NNc1ccc(C(N)=O)nn1)c1cccc(F)c1	158993018	WDORMIYOHKIPEY-UHFFFAOYSA-N	317.324	1.136	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNc1cccc([N+](=O)[O-])c1	151709570	MKYMVMRTVJQGIR-UHFFFAOYSA-N	308.338	1.734	50	20	DDGD	
COc1cc(C(=O)NNC(=O)CCCc2ccccc2)on1	153142480	HAQSTZROKQWZIF-UHFFFAOYSA-N	303.318	1.467	50	20	DDGD	
CN1C[C@H](C(=O)NNc2ccc(C(F)(F)F)cc2)CC1=O	153713151	FDFMOJATQFPBRP-MRVPVSSYSA-N	301.268	1.627	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NNC(=O)c1csc(C2CC2)n1	156106689	YYMBQEYVSJKHAZ-UHFFFAOYSA-N	324.406	1.086	50	20	DDGD	
COc1cccc(CN(C)S(=O)(=O)CBr)c1	127130300	PJLZPLCDZYIIEO-UHFFFAOYSA-N	308.197	1.809	50	20	DDGD	
CN(CCNC(=O)NNC(=O)OC(C)(C)C)Cc1ccccc1	54763326	IIXPBXWMZIJMMK-UHFFFAOYSA-N	322.409	1.857	50	20	DDGD	
C[C@@H]1C[C@H](O)CN(S(=O)(=O)c2ccc(CCl)cc2)C1	401732234	DIXYIIAVTDCLTO-PWSUYJOCSA-N	303.811	1.817	50	20	DDGD	
O=C(NNC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccccn1	6644579	HBJNCQBNGAMJJZ-UHFFFAOYSA-N	317.330	1.621	50	20	DDGD	
CCNC(=O)NNC(=O)[C@H]1CCCCN1C(=O)c1ccccc1	104328616	FDTCXMOJFDAZFY-CYBMUJFWSA-N	318.377	1.032	50	20	DDGD	
Cc1cc(NNC(=O)[C@H](C)NC(=O)CC2CCCCC2)ncn1	172283911	BISOCHMNRLWOJA-LBPRGKRZSA-N	319.409	1.703	50	20	DDGD	
C[C@@H]1C[C@@H]1C(=O)NNc1nc(Br)cn2ccnc12	176192303	BTJFZKNATBJVRJ-RQJHMYQMSA-N	310.155	1.591	50	20	DDGD	
CO[C@H](C)CC(=O)N/N=c1/nc(-c2ccccn2)[nH]c(C)c1C	114891157	BQBQTEJNHMKODD-SNVBAGLBSA-N	315.377	1.445	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)cn1	117679912	ZGQCVMNKUHGZSL-QWHCGFSZSA-N	318.764	1.638	50	20	DDGD	
CCCCN(C)c1ccc(C(=O)NNC(=O)CN(C)C)cc1	113425162	SMGMUDGJVVYHND-UHFFFAOYSA-N	306.410	1.246	50	20	DDGD	
Cc1ccc(NC(=O)NNC(=O)C(C)(C)C)cc1-n1cnnn1	179722716	DFZCDLIQELIKJB-UHFFFAOYSA-N	317.353	1.170	50	20	DDGD	
Cc1cccnc1C(=O)NNC(=O)COc1ccc(F)cc1	174963139	FKWZYPJUVRYMRC-UHFFFAOYSA-N	303.293	1.369	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NCc1cccc(OCC#N)c1	113391606	XDXMXSCINAUYNY-UHFFFAOYSA-N	304.350	1.465	50	20	DDGD	
CCO[C@@H]1C[C@H]1C(=O)NNC(=O)c1cccc(OC(F)F)c1	171207584	CXGDHLOFYIRPPB-GHMZBOCLSA-N	314.288	1.474	50	20	DDGD	
CC(C)c1cc(C(=O)NNC(=O)CCc2ccccc2)nn1C	173362009	QRGQIVLSYBQCMZ-UHFFFAOYSA-N	314.389	1.937	50	20	DDGD	
CC(=O)NCC(=O)NNc1ccc(Br)c(C)c1	114890054	FOQGOXGLBCFHQV-UHFFFAOYSA-N	300.156	1.337	50	20	DDGD	
C[C@H](CSc1ccccc1)C(=O)NNC(=O)c1cnn(C)c1	117681625	IQUOCQYFAHBOGN-LLVKDONJSA-N	318.402	1.610	50	20	DDGD	
CCOCCCN1CC[C@H](N/C=C(\C#N)C(=O)OCC)[C@H](C)C1	172181485	VOFGNTVFQUYVSA-OVRLFXSLSA-N	323.437	1.684	50	20	DDGD	
CCCC[C@@H](CC)CC(=O)NNC(=O)CNC(=O)c1ccco1	117139358	GAJGZGCLNKYGMN-GFCCVEGCSA-N	323.393	1.763	50	20	DDGD	
CCn1nc(C(=O)NNc2ccc(C(C)(C)C)nn2)ccc1=O	118527559	BKYQQKFBGRYMLQ-UHFFFAOYSA-N	316.365	1.108	50	20	DDGD	
CC(C)N(C)CC(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	60161820	UPLMLIGRSACRJH-UHFFFAOYSA-N	315.377	1.178	50	20	DDGD	
CCOc1ccc(OCC(=O)NNC(=O)NC2CCCC2)cc1	65920929	FXOXVDVSKLFIIP-UHFFFAOYSA-N	321.377	1.737	50	20	DDGD	
CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc2ncsc2c1	124769921	NMPRKBDZVCEUDH-MRVPVSSYSA-N	320.374	1.428	50	20	DDGD	
C[C@@H]1C[C@H](NC(=O)NNc2ccc(Cl)nn2)CN1C1CC1	127663941	YXTANMJIUMWPSU-BDAKNGLRSA-N	310.789	1.381	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)C[C@@H](C)c2ccncc2)n1	129736899	HPBIFQURNTXGGL-LLVKDONJSA-N	315.377	1.236	50	20	DDGD	
COCc1ccccc1NC(=O)NNC(=O)c1ccncc1	183837689	ZCDONGZRLOFAAI-UHFFFAOYSA-N	300.318	1.695	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	77219023	DDZMQWQSTSYLSL-UHFFFAOYSA-N	320.349	1.976	50	20	DDGD	
O=C(NC[C@@H](O)c1ccc(F)cc1)NNC(=O)c1ccccc1	79317794	GVUUWHAWOHYSCL-CQSZACIVSA-N	317.320	1.503	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)C(=O)Nc2cnn(C)c2C)c1	188830299	WJOFRBZXIPDHQO-UHFFFAOYSA-N	301.350	1.427	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1	78340772	HPVYJERGFJZEAM-QWHCGFSZSA-N	301.321	1.729	50	20	DDGD	
O=C(CNS(=O)(=O)CCCCCl)Nc1ccccc1	153969182	XWTLCUFOUGUVDA-UHFFFAOYSA-N	304.799	1.564	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2cccc(F)c2)c1	181112394	SCMZUUSMTTVSNH-UHFFFAOYSA-N	308.334	1.986	50	20	DDGD	
C=CCc1cc(C(=O)NNc2ncccn2)cc(OC)c1OC	124035426	PNCSNTGHTYQFIE-UHFFFAOYSA-N	314.345	1.979	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H]2C[C@](C)(OC)C2(C)C)n1	181371990	OMPNGODAEIUDLJ-BONVTDFDSA-N	308.382	1.920	50	20	DDGD	
CC[C@H]1CCCCN1CCNC(=O)NNc1cccc(OC)n1	181281193	SOEMMEDRRUZKGO-ZDUSSCGKSA-N	321.425	1.981	50	20	DDGD	
CCN(C)[C@H](C(=O)NNc1nccnc1OC)c1ccccc1	132099732	LTAVULKLDWFHHQ-ZDUSSCGKSA-N	315.377	1.621	50	20	DDGD	
CC[C@H]1CCCN(CC(=O)NNC(=O)Cc2ccccc2C)C1	136543986	XLIBNJLXBZUBDN-HNNXBMFYSA-N	317.433	1.807	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CCc2c(Cl)cccc2C1	133882968	XDWVAYHBOXOUSU-SNVBAGLBSA-N	309.797	1.644	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccc(F)c(C(F)(F)F)c1	190059876	YNYYQVXKVTYNFQ-UHFFFAOYSA-N	308.231	1.376	50	20	DDGD	
Cc1cc2c(cc1C)O[C@@H](C(=O)NNc1nc3ccccn3n1)C2	191899445	OUAVMUXPMKZVIY-CQSZACIVSA-N	323.356	1.793	50	20	DDGD	
Cc1cccc(NC(=O)C(=O)NNc2nc3ccccn3n2)c1C	190616860	BOLONNRWMTVKPD-UHFFFAOYSA-N	324.344	1.428	50	20	DDGD	
CCN(CC)C[C@@H](C)NC(=O)NNC(=O)c1ccc(C#N)cc1	141342497	RCAGOUBXKTUOPK-GFCCVEGCSA-N	317.393	1.233	50	20	DDGD	
Cn1cnc(CNC(=O)NNc2cc(F)c(F)c(F)c2)n1	92376914	NVBIRTVAKFLJJA-UHFFFAOYSA-N	300.244	1.059	50	20	DDGD	
CCN(CC)CC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	143128589	POQCLFRCTSZZRE-NSHDSACASA-N	311.357	1.082	50	20	DDGD	
CS(=O)(=O)N[C@H]1CCCN(/C(=C\C#N)c2ccccc2)C1	254951163	LKEGQYUMOZEXJM-BUYRESAOSA-N	305.403	1.565	50	20	DDGD	
O=C(CC1CC1)NNc1ccc(S(=O)(=O)NC2CC2)cc1	264012384	LTFXHYKHYGCLMK-UHFFFAOYSA-N	309.391	1.371	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)N[C@@H]2CCC[C@@H]2C)cc1	264466248	ZXJNBLZWLSPPBT-SMDDNHRTSA-N	321.377	1.593	50	20	DDGD	
C[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)COc1ccccc1O	264544671	BJSAJXHHPQRLBL-RYUDHWBXSA-N	321.377	1.680	50	20	DDGD	
COCCCN(C)C(=O)NNC(=O)C(C)(C)c1ccccc1	264666361	ORKBSWYAZVNOAY-UHFFFAOYSA-N	307.394	1.673	50	20	DDGD	
CO[C@H](C)c1nc(CNC(=O)NNc2cccnn2)cs1	267784996	XAMZZBKGWMDBFA-MRVPVSSYSA-N	308.367	1.467	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)N[C@H]2CCSC2)c1	266596332	NQBKRMUVHMGACM-NSHDSACASA-N	309.391	1.210	50	20	DDGD	
CCc1ocnc1C(=O)NNc1nccc(N(CC)CC)n1	268555967	CEFOVLZYEGBEDS-UHFFFAOYSA-N	304.354	1.630	50	20	DDGD	
CC(C)Cn1cc(NC(=O)NNC(=O)c2ccncc2)cn1	273523134	UUTIQRRPEWSKTG-UHFFFAOYSA-N	302.338	1.401	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2C)[C@@H]1OC	274884455	DOLHJIKSZUUMQJ-MCIONIFRSA-N	321.377	1.131	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(NC(C)=O)c(OC)c1	274424458	PBQFAONAZWIQJO-UHFFFAOYSA-N	323.353	1.351	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)[C@@H]1CCCCO1	270714011	PDFDEHHSRYUEBT-NSHDSACASA-N	310.375	1.201	50	20	DDGD	
C=C[C@](C)(O)CC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	278783886	XXOIVWGZGXKUFN-DYVFJYSZSA-N	320.389	1.545	50	20	DDGD	
COc1cccc(NNC(=O)CSC[C@H]2CCCCO2)n1	272501354	HBGUYTWRXQSMEC-LLVKDONJSA-N	311.407	1.836	50	20	DDGD	
O=C(NNc1ccnc(F)c1)[C@H]1CCCN1Cc1ccccn1	368008574	SXRSKUHRAWVVJQ-CQSZACIVSA-N	315.352	1.723	50	20	DDGD	
CCO[C@@H]1C[C@H](NC(=O)NNc2cc(Cl)ccn2)[C@@H]1OC	275070388	LEACTOSIIAGNHS-UMNHJUIQSA-N	314.773	1.554	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)[C@H]1CCCN1c1ccccc1	364818902	ZNUPMEMYDQLIAM-MRXNPFEDSA-N	324.384	1.441	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1ccc(C)nc1Br	272690644	QFNYUOTZIQLAAX-UHFFFAOYSA-N	315.171	1.459	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@H](NC(=O)NNC(=O)Cc2ccncc2)C1(C)C	271766426	BZNAMQVWUBBWBU-LEWSCRJBSA-N	320.393	1.014	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCN(c2ccccc2F)C1)c1ccc[nH]1	377882461	FKCKPZOKUFOLAY-LLVKDONJSA-N	316.336	1.441	50	20	DDGD	
COC[C@H](C)CNC(=O)NNc1ccc2c(O)nccc2c1	287390175	JFQMRNJVRPXUSZ-SNVBAGLBSA-N	304.350	1.849	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@@H](C2CC2)C(F)(F)F)n1	288415767	NZOSAZMYWHLSTE-VIFPVBQESA-N	319.287	1.761	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)C[C@@H](C)C(C)C)cc1	282341942	AUOWEGDLZAEPIH-GFCCVEGCSA-N	305.378	1.763	50	20	DDGD	
O=C1COc2c(cccc2NC(=O)NNc2cccc(F)n2)N1	377787936	WDKWHXXRDULGSY-UHFFFAOYSA-N	317.280	1.700	50	20	DDGD	
CCOc1ccc(C(=O)NNC(=O)c2[nH]ccc2C)cc1OC	281913714	UYKBQHXHXPYTQV-UHFFFAOYSA-N	317.345	1.805	50	20	DDGD	
C[C@H]1CCCN(C(=O)C(=O)NNc2nccnc2C2CCC2)C1	286906286	HGIUCEHUYLURJO-NSHDSACASA-N	317.393	1.446	50	20	DDGD	
CC(C)N(C)C[C@@H](C)NC(=O)NNc1ccc(Cl)nn1	290824854	CCOORHJXQYHVTB-SECBINFHSA-N	300.794	1.485	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)C1(CC)CCOCC1	807369459	UVODWSSEFYIJSU-UHFFFAOYSA-N	316.398	1.130	50	20	DDGD	
CCOc1ccc(NNC(=O)[C@H](C)N2CCSCC2)cc1	294516395	YRPLVYILPFFSDH-LBPRGKRZSA-N	309.435	1.966	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1	296111165	HBMPCDOGHCNHQB-GFCCVEGCSA-N	305.334	1.021	50	20	DDGD	
CN(NC(=O)Cc1ccc(C(N)=O)cc1)C(=O)OC(C)(C)C	297100436	FFCWUGHFMBRYCW-UHFFFAOYSA-N	307.350	1.226	50	20	DDGD	
Cc1cnc(COCC(=O)NNc2ccc([N+](=O)[O-])cc2C)o1	805381852	VTANKYHNPRVPKS-UHFFFAOYSA-N	320.305	1.860	50	20	DDGD	
Cc1nc(C(=O)NNc2ncccc2F)nn1-c1ccccc1	804216220	CMHNTKPYJXOYHJ-UHFFFAOYSA-N	312.308	1.867	50	20	DDGD	
Cn1cnn(CCC(=O)NNc2ccc(C(C)(C)C)cc2)c1=O	293470981	MGCFAUJSLJGSNL-UHFFFAOYSA-N	317.393	1.413	50	20	DDGD	
O=C(NC[C@@H]1CCN(C2CC2)C1)NNc1ncc(F)cc1F	297244333	ZOSWQEOIGQEADH-VIFPVBQESA-N	311.336	1.470	50	20	DDGD	
O=C(NC[C@H]1CCCCO1)NNc1ccc2c(=O)[nH]ccc2c1	806538942	ANXLMODDNSMHDD-CYBMUJFWSA-N	316.361	1.723	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(N2CCOC2=O)cc1	298809594	OSLGXQPSCQMTKG-UHFFFAOYSA-N	305.334	1.450	50	20	DDGD	
NC(=O)c1ccc(C(=O)NNC(=O)Nc2ccccc2)s1	801992422	MZGHMEXVTBGPFO-UHFFFAOYSA-N	304.331	1.314	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N(C)CCc1cccc([N+](=O)[O-])c1	801601149	BKCVHNCOBSZFPS-LLVKDONJSA-N	322.365	1.015	50	20	DDGD	
COCCN1CN(CCO[Si](C)(C)C(C)(C)C)CC1=O	808757421	LOBMLUYBEQRKJI-UHFFFAOYSA-N	302.491	1.756	50	20	DDGD	
Cn1ncc(C(=O)NNC(=O)CCCc2ccccc2)c1Cl	294426055	BOZVUSYULRCUJE-UHFFFAOYSA-N	320.780	1.857	50	20	DDGD	
C[C@H](CNC(=O)NNc1ncncc1F)CN1CCCCC1	292954275	HABYZNNDBOQJKE-LLVKDONJSA-N	310.377	1.364	50	20	DDGD	
COC1CCC(C(=O)NNc2ccc(-n3ccnc3)nn2)CC1	804955141	VDVUPWZFVFIFJY-UHFFFAOYSA-N	316.365	1.311	50	20	DDGD	
CC1(C(=O)OCC(=O)NNC(=O)c2cccs2)CCCC1	809127423	NPPXYORBMICDCG-UHFFFAOYSA-N	310.375	1.633	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H]2CC(=O)c3ccccc32)O1	294004042	VJLIEPAQOUDASK-BHYNMZESSA-N	302.330	1.072	50	20	DDGD	
CO[C@H](C(=O)NNC(=O)Nc1ccc(N(C)C)cc1)C(C)C	802117886	GEVJCSTYFKTUAA-ZDUSSCGKSA-N	308.382	1.576	50	20	DDGD	
Cc1oc(-c2cnn(C)c2)nc1C(=O)NNc1cccc(F)n1	804773264	HTJHDOLDRZTZJN-UHFFFAOYSA-N	316.296	1.675	50	20	DDGD	
COCc1ncc(C(=O)NNc2cnc3ccccc3n2)s1	803108383	ASFYOMABLHQRCD-UHFFFAOYSA-N	315.358	1.990	50	20	DDGD	
CC[C@](O)(C(=O)NNC(=O)c1ccc[nH]1)c1cccc(Cl)c1	800390460	BYPCOTKRGYMUGB-OAHLLOKOSA-N	321.764	1.727	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NN=Cc1n[nH]c2cc(C(=O)O)ccc12	815000856	RCNWDTIJDHZYDR-UHFFFAOYSA-N	324.300	1.234	50	20	DDGD	
CN(C)c1ncc(C=NNC(=O)CCCc2ccccc2)n1C	811640835	BPRVQBTVIXPADL-UHFFFAOYSA-N	313.405	1.959	50	20	DDGD	
Cc1c(C(=O)NN(C)C2CC2)cnn1CCO[C@H]1CCCCO1	819650622	UOXLDZSYYXABIV-HNNXBMFYSA-N	322.409	1.474	50	20	DDGD	
Cc1ccc(Cl)c(O[C@H](C)C(=O)NNc2cnnn2C)c1	816772436	YWLZRJMKYRLLJJ-SECBINFHSA-N	309.757	1.688	50	20	DDGD	
CC(C)NC(=O)NNC(=O)CCc1cccc(OC(F)F)c1	819190388	OZDNZPZRXNJEOA-UHFFFAOYSA-N	315.320	1.959	50	20	DDGD	
C[C@H](CN1CCOCC1)C(=O)NN=Cc1ccc(C#N)c(F)c1	817322530	BHLMUIIQFVJNFF-GFCCVEGCSA-N	318.352	1.116	50	20	DDGD	
COc1ccc(SCC(=O)NNc2ncncc2F)cc1	817083162	ZLPXYNAFBBJEPR-UHFFFAOYSA-N	308.338	1.860	50	20	DDGD	
CC(=O)c1cc(C(=O)NNC(=O)N=c2cc[nH]cc2)cs1	816596389	ZTOSCTLEZFQEEV-UHFFFAOYSA-N	304.331	1.234	50	20	DDGD	
CN(NC(=O)CCC(=O)N(CCC#N)c1ccccc1)C1CC1	819647341	MHDIAITTYYEJQK-UHFFFAOYSA-N	314.389	1.839	50	20	DDGD	
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NNc1nc[nH]n1	816631978	NXBYBRIBIOHDKM-ZDUSSCGKSA-N	312.333	1.212	50	20	DDGD	
CCn1ccnc1C(=O)NNC(=O)Cc1ccc(Cl)cc1	813368206	ZOOLARDJAOPNRR-UHFFFAOYSA-N	306.753	1.560	50	20	DDGD	
CCC(=O)N1CCC[C@@H](C(=O)NNc2ccc(F)cc2OC)C1	816337775	HXJBKIMIPTWTQK-LLVKDONJSA-N	323.368	1.926	50	20	DDGD	
COC(=O)[C@@H]1C[C@H]2CC(=NNC(=O)c3cccc(C#N)c3)[C@H]1C2	817326097	JJAROQTYDAQGEO-FPMFFAJLSA-N	311.341	1.863	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccc(OC(F)F)c(F)c1	815115781	YISYILLWZJDREL-UHFFFAOYSA-N	317.267	1.781	50	20	DDGD	
CC(C)n1cncc1C=NNC(=O)COc1ccccc1C#N	819805506	XHCFLWHECTUPES-UHFFFAOYSA-N	311.345	1.865	50	20	DDGD	
CC(C)[C@@H](NC(=O)NNc1cccc(Cl)n1)c1nncn1C	814331899	RNTKEFGIWTVCNJ-LLVKDONJSA-N	323.788	1.887	50	20	DDGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2cn(C)nn2)cc1	490692986	IASRCUULNGXKSO-KAQJVSAMSA-N	311.345	1.608	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN1CC[C@H](c2ccccc2)[C@H]1C	828020458	JNLFWWYPSFVKOJ-HIFRSBDPSA-N	303.406	1.668	50	20	DDGD	
C[C@H]1CCc2sc(C(=O)NNC(=O)[C@@H](C)CC(=O)O)cc2C1	828309317	BMADZTWIVAEWQN-IUCAKERBSA-N	324.402	1.745	50	20	DDGD	
CSCCNC(=S)NNC(=O)/C=C\c1ccc(O)cc1	492610788	HGHCGPKACSPQLF-DAXSKMNVSA-N	311.432	1.264	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cn1	491085615	RFCBNOIRHUOQKS-OIQKGARISA-N	314.389	1.647	50	20	DDGD	
COC(=O)[C@H](CC(F)F)NC(=O)/C(C#N)=C\c1ccc(O)cc1	491133012	OIDYNHNYMHLTJE-GYGFLDJKSA-N	324.283	1.612	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F	823936092	ZRNJUIPHDVTIJG-VIFPVBQESA-N	313.329	1.355	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccn(-c2ccccc2Cl)n1	823965635	QVCIRTCDXNLDIM-SNVBAGLBSA-N	308.769	1.483	50	20	DDGD	
CCOC(=O)NNC(=O)CCN1C(=O)CCc2ccccc21	491405722	OSZVTFSEAISONM-UHFFFAOYSA-N	305.334	1.133	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)Cc2cccnc2)cn1	728798685	LUQVMQVYGHACTH-UHFFFAOYSA-N	317.374	1.046	50	20	DDGD	
C/C=C(\CC)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	492741618	ABMARTHDEPMJHE-IZZDOVSWSA-N	313.398	1.795	50	20	DDGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cnn(C)c2)c(N(C)C)n1	827553110	ZLZSAJLCOKUXRN-QPEQYQDCSA-N	310.361	1.735	50	20	DDGD	
CCOc1c(Cl)cccc1CC(=O)NN(C)[C@H](C)CO	823928029	JEDJMODDODOKPT-SNVBAGLBSA-N	300.786	1.625	50	20	DDGD	
C/C=C/C(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1	825028549	IZKSQNCTTXCWPB-NSCUHMNNSA-N	312.255	1.905	50	20	DDGD	
C[C@@H](C1CCN(C)CC1)N(C)C(=O)/C(C#N)=C/c1cnn(C)c1	491107606	VYYJZCYDCDJWRL-WFSQQTBHSA-N	315.421	1.516	50	20	DDGD	
O=S(=O)(/C=C/c1ccccc1Cl)N1CC[C@H](B(O)O)C1	585058275	WKROZRBLGKNJNR-IOCXFXADSA-N	315.587	1.189	50	20	DDGD	
O=C(CC[C@H]1CC1(Cl)Cl)NNC(=O)Cc1cc[nH]n1	826667495	PMHZXNDQCFNKAQ-ZETCQYMHSA-N	305.165	1.074	50	20	DDGD	
CC(=O)c1ccc(OCCCC(=O)NN(C)[C@@H](C)CO)cc1	823987032	CZZFIYVUPZIBLD-LBPRGKRZSA-N	308.378	1.392	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@H](C)SC)cn1	729691840	CREMELHTBYAQIU-ZETCQYMHSA-N	300.409	1.159	50	20	DDGD	
Cc1ccc(-c2cncc(C(=O)N3CC[C@@H](B(O)O)C3)c2)cc1	585068631	CTVPAXFWABIKBU-MRXNPFEDSA-N	310.162	1.746	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C/c2cnn(CC(F)F)c2)n1	491158158	CWQMQLQEHBYMGT-ONNFQVAWSA-N	306.276	1.427	50	20	DDGD	
CC(C)CC(=O)NNC(=O)Cc1ccccc1O[C@H]1CCOC1	823887655	MTDOONCYCAMPQV-AWEZNQCLSA-N	320.389	1.590	50	20	DDGD	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1ccc(Cl)s1	825596116	ZLIJFXILEHZVGZ-VXNVDRBHSA-N	317.798	1.657	50	20	DDGD	
C#CCCCC(=O)NN=Cc1cc(C(=O)O)ccc1N(C)C	901327130	YULLQKZACWAEKN-UHFFFAOYSA-N	301.346	1.704	50	20	DDGD	
COc1ccc(C=NNC(=O)OC(C)(C)C)cc1-c1nn[nH]n1	737081294	MRUFTQRHMSZKAV-UHFFFAOYSA-N	318.337	1.734	50	20	DDGD	
O=C(/C=C/c1ccc(Cl)nc1)NNC(=O)c1ccccn1	492305213	USTFNRQZZZVKPF-FNORWQNLSA-N	302.721	1.604	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N2C[C@H]3[C@@H](O)CC[C@H]3C2)cc(C#N)n1C	490880551	VJGVTQOKCFWJMI-YJXSJRGUSA-N	324.384	1.341	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1cccc(-n2cccn2)c1	735115153	VQIOYPDLBVQNAD-UHFFFAOYSA-N	312.251	1.586	50	20	DDGD	
Cc1ccc(C[C@@H](C)NC(=O)c2cccc(B(O)O)c2)c(C)c1	584941539	KHWHBWIYTXLLLP-CQSZACIVSA-N	311.190	1.344	50	20	DDGD	
CCOC(=O)NNC(=O)c1cnn(C)c1Cc1ccccc1	496182431	VDEXRWPIIFKJCE-UHFFFAOYSA-N	302.334	1.402	50	20	DDGD	
C[C@@H]1OC(=O)N[C@@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	497120656	RLTJVRVUEQFIBG-CDUCUWFYSA-N	314.685	1.188	50	20	DDGD	
Cc1ccc([C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C2)c(C)c1	584985576	NJGUAJSAONNIAH-MRXNPFEDSA-N	323.201	1.613	50	20	DDGD	
C=C[C@H](CC)CC(=O)OCC(=O)NNC(=O)c1cccc(C)c1	909526553	ZJOOCGZNXXPRFN-CYBMUJFWSA-N	318.373	1.902	50	20	DDGD	
CN(CC(=O)NNC(=O)CCCc1ccccc1)C(=O)C1CC1	733147192	ZPTCEOSALWFHMR-UHFFFAOYSA-N	317.389	1.025	50	20	DDGD	
CCC[C@@H](C)NC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836196186	FIPZFGCVAWODIS-SECBINFHSA-N	308.338	1.940	50	20	DDGD	
COC(=O)[C@]1(F)CCN(C(=O)[C@@]2(C)C[C@H]2Br)C1	906878715	MWXSCOIPQCLAKF-GGVZMXCHSA-N	308.147	1.274	50	20	DDGD	
O=C(COc1ccccc1O)NN=Cc1cnn(C2CCC2)c1	901247650	JKZYROFBKLPWFV-UHFFFAOYSA-N	314.345	1.843	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC2(O)CCC2)c2ccccc2n1	831712606	DSHQAEYHEOCLSO-UHFFFAOYSA-N	313.357	1.609	50	20	DDGD	
Cc1cccc(OCCCNC(=O)NNC(=O)C2CCC2)c1	732238519	MPXUTYGVIZQECL-UHFFFAOYSA-N	305.378	1.894	50	20	DDGD	
CCCc1c(C(=O)NNc2cnccn2)[nH]c(C)c1C(=O)O	737044228	UCFSALLGCDKMJS-UHFFFAOYSA-N	303.322	1.521	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)o1	837375739	DLWULCBOXOMOGF-AEJSXWLSSA-N	302.334	1.728	50	20	DDGD	
OB(O)c1cccc(CN[C@@H]2C[C@H]2c2c(F)cccc2Cl)c1	585045883	JHUUCLMIHWZCPM-IUODEOHRSA-N	319.572	1.805	50	20	DDGD	
COC[C@@]1(CC(C)C)CCCN1C(=O)c1cccc(B(O)O)c1	584980539	CHSACAGIQAPFTO-KRWDZBQOSA-N	319.210	1.034	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccs1	730576032	LCBNNQQNPWNNTD-VIFPVBQESA-N	300.405	1.413	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2C[C@@H](C)n3ccnc32)n1	838691624	XBVJKNCPBLOFAI-RKDXNWHRSA-N	303.326	1.014	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCCC12CCCCCC2	584970849	HVCDHQSYGBJBFT-UHFFFAOYSA-N	301.195	1.695	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)CSC(F)F)cc1	831948927	KBUDINBPZGPKAY-UHFFFAOYSA-N	318.349	1.861	50	20	DDGD	
CCCn1ncc(NC(=O)c2cccc(B(O)O)c2)c1C1CC1	584994518	ALNVSKDHDGXSDQ-UHFFFAOYSA-N	313.166	1.103	50	20	DDGD	
CC(C)(C)S(=O)(=O)CC(=O)NNc1cccc(C(=O)O)c1	833447284	PUSVXNBLIYQBRJ-UHFFFAOYSA-N	314.363	1.041	50	20	DDGD	
COCC(=O)NN[C@H](C(=O)O)c1cc(Cl)cc(Cl)c1	831541306	SFWZRNYGIHJVSK-JTQLQIEISA-N	307.133	1.386	50	20	DDGD	
C[C@@]1(C(=O)NCc2cc(O)nc(S)n2)C[C@@H]1Br	911853841	FLPYXTFZEKHCNN-QUBYGPBYSA-N	318.196	1.261	50	20	DDGD	
CC[C@H](Cc1ccc(Cl)cc1)NCc1ccc(B(O)O)o1	585023391	KPURHEXYFYWFNK-CYBMUJFWSA-N	307.586	1.724	50	20	DDGD	
CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1ccc(B(O)O)cc1	584963028	OITDFBCYXQZBLC-HUUCEWRRSA-N	319.210	1.032	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NC1CCN(C2CCOCC2)CC1	912347618	UKWFDYYTVGASED-OUKQBFOZSA-N	307.394	1.190	50	20	DDGD	
CN(C)[C@H](CNC(=O)NNC(=O)C1CCC1)C1CCCCC1	732449378	IGMUQOJFLLKHCX-CQSZACIVSA-N	310.442	1.627	50	20	DDGD	
CN(C)CCCOc1cnccc1CNS(=O)(=O)CCl	831550411	NBBWAKZLSHXSEL-UHFFFAOYSA-N	321.830	1.028	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@H](C)Cc1cnc2ccccc2n1	910144393	HPQLWTAJDIUMBA-VXGBXAGGSA-N	302.378	1.152	50	20	DDGD	
CO[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2C)C12CCC2	838763439	CQCZKKVACBBMOC-KGLIPLIRSA-N	317.389	1.897	50	20	DDGD	
CCc1c(C(=O)NNC(=O)COc2cccc(C)c2)cnn1C	915618679	DVFAOGVNMXEJFF-UHFFFAOYSA-N	316.361	1.131	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1	910174260	DQHUUTSIPXQYGE-JTQLQIEISA-N	309.366	1.850	50	20	DDGD	
COc1ccc([C@H](CC(=O)O)NC=C(C#N)C#N)cc1OC	832241391	QLOTYCPWOLNSQJ-LBPRGKRZSA-N	301.302	1.740	50	20	DDGD	
COc1ccccc1-c1nn(C)cc1C(=O)NNc1cccnn1	740926491	AXXOTBVLMYMCNW-UHFFFAOYSA-N	324.344	1.643	50	20	DDGD	
COc1ccccc1C1(C(=O)NNC(=O)c2ccncc2)CC1	749163235	UDSOYEZADWEGRQ-UHFFFAOYSA-N	311.341	1.583	50	20	DDGD	
Cc1ccccc1NCCC(=O)NNC(=O)[C@H]1CCO[C@H]1C	843972651	HIQJLWQJYDGYGZ-STQMWFEESA-N	305.378	1.369	50	20	DDGD	
COc1ccc(Cl)c(NC(=O)NNC(=O)NC[C@@H](C)N)c1	841990306	ZGFZTOYWSDVFID-SSDOTTSWSA-N	315.761	1.032	50	20	DDGD	
O=C(Cn1nc2n(c1=O)CCCC2)NNc1ccccc1Cl	845854421	GDIOJRZYSWKBIV-UHFFFAOYSA-N	321.768	1.178	50	20	DDGD	
COc1cc(C=NNC(N)=O)ccc1OCc1c(C)noc1C	916540263	SJWPGPMWCBCAQC-UHFFFAOYSA-N	318.333	1.881	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)c1cc(-c2ccc(Cl)cc2)on1	910174982	JANHMGZHAIJUEQ-VIFPVBQESA-N	309.753	1.952	50	20	DDGD	
CCCCOc1cc(OC)ccc1C(=O)NN(C)C[C@H](C)O	910161280	UNHLVRRLBMNOBB-LBPRGKRZSA-N	310.394	1.832	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)NC[C@@H]1CCC[C@@H]1C1CC1	840394371	FWQSCGGYGBISLN-LSDHHAIUSA-N	316.405	1.781	50	20	DDGD	
COc1cccc(OCCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	843663837	ZTRBUTOMNLBBBT-RISCZKNCSA-N	322.361	1.037	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)[C@]2(C)CCCOC2)cc1	846378336	WXFIDCVBRGJDRI-MRXNPFEDSA-N	306.362	1.662	50	20	DDGD	
CC(C)(CCNS(=O)(=O)CCCCCl)S(C)(=O)=O	841559298	FTDNFBHCSXECJL-UHFFFAOYSA-N	319.876	1.138	50	20	DDGD	
CC(C)NC(=O)C(=O)NN=Cc1ccc(N2CCCCC2)s1	744817583	KUNFXWNWHNVFHB-UHFFFAOYSA-N	322.434	1.713	50	20	DDGD	
CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1sc(C)nc1C	743446407	WSDFFKZZHFLQCG-UHFFFAOYSA-N	321.362	1.044	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)N[C@H](C)CCCN)cc1F	841999849	PKJANACWUDYWBZ-SECBINFHSA-N	312.345	1.366	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCC(=O)c1cccs1	843637028	AHGFOMZTUFCVBG-ZJUUUORDSA-N	310.375	1.283	50	20	DDGD	
COC1([C@H](C)NC(=O)NNC(=O)Cc2ccccc2F)CCC1	840454526	RAKZGKCAJLCOCJ-NSHDSACASA-N	323.368	1.656	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O)C1CC1	745771358	KWVSXCJYMFGGLQ-QMMMGPOBSA-N	322.321	1.291	50	20	DDGD	
CCO[C@H]1C[C@@H](NC(=O)NNC(=O)C2CCCC2)C12CCC2	745849773	CNQVDEWSOWOBLO-OLZOCXBDSA-N	309.410	1.855	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)CCc1ncc(-c2ccccc2F)o1	910174279	FCRGJPNZRXEBNK-NSHDSACASA-N	321.352	1.757	50	20	DDGD	
CCOc1cccc(C(C)=NNC(=O)[C@H]2CCS(=O)(=O)C2)c1	743531398	VHAMTLSUNOXOOL-ZDUSSCGKSA-N	324.402	1.360	50	20	DDGD	
CC(C)Oc1cccc(CC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1	843647341	MIARGKBLXOXTES-DOMZBBRYSA-N	320.389	1.589	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NC[C@H]2CCCO2)cc1	844844345	DKHDMCKEVAFHQX-CYBMUJFWSA-N	307.350	1.207	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cnc(C2OCCO2)s1	842561594	LKIDTXLQWHJPEG-WPRPVWTQSA-N	311.363	1.064	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@H]1CC12CCOCC2	748527604	XVQHAGHDLOIDSM-ZDUSSCGKSA-N	322.792	1.847	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H](c1ccccc1)N1CCSCC1	746817896	LDOQTTJSPQVMQH-AWEZNQCLSA-N	321.446	1.580	50	20	DDGD	
C[C@H](Cc1ccc(F)cc1)C(=O)NNc1nccn(C)c1=O	747937697	KSOSRRHCLPIISQ-SNVBAGLBSA-N	304.325	1.241	50	20	DDGD	
COc1ccc2c(c1)[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)CC2	843656127	MCIXBWKBXZWZLY-ZLKJLUDKSA-N	318.373	1.297	50	20	DDGD	
CCN1CCC(=NNC(=O)c2ccc3c(c2)OCCO3)[C@@H](C)C1	741458459	MKZHSBZJDXTRRU-LBPRGKRZSA-N	317.389	1.905	50	20	DDGD	
C[C@]1(C(=O)NNc2ncc(Br)cn2)CCCNC1	848436506	UCOLHMYGQNDYHA-NSHDSACASA-N	314.187	1.072	50	20	DDGD	
N#CC1(CNC(=O)NNC(=O)c2cccc3ncccc23)CCC1	842198539	KTFDFGPXHBVQPZ-UHFFFAOYSA-N	323.356	1.873	50	20	DDGD	
CC(C)Oc1cccc(CC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1	843647353	MIARGKBLXOXTES-WFASDCNBSA-N	320.389	1.589	50	20	DDGD	
Cc1cc(C)cc(NNC(=O)CCCCCS(N)(=O)=O)c1	845854948	RRCGFOMYYUJLNM-UHFFFAOYSA-N	313.423	1.595	50	20	DDGD	
CO[C@]1(C)CC(=NNC(=O)[C@H](C)CN2CCOCC2)C1(C)C	746563369	BOPYUYWKBYEARO-MLGOLLRUSA-N	311.426	1.262	50	20	DDGD	
CCCOc1ccc(C(=O)NN=Cc2cncn2C)cc1OC	755565443	IBLVPDUDTMPQQT-UHFFFAOYSA-N	316.361	1.981	50	20	DDGD	
Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNC(=S)NCC1CCC1	855091302	KRTQXOJEXACLOQ-SECBINFHSA-N	323.466	1.436	50	20	DDGD	
CC1=C(C(=O)NNC(=O)c2ccccc2F)CCN1C(C)C	929232899	YSQPDMQZOWCXHP-UHFFFAOYSA-N	305.353	1.975	50	20	DDGD	
COc1ccc(NCC(=O)NN=Cc2cnc3n2CCC3)cc1	853262754	JGDAWAPJROSRJT-UHFFFAOYSA-N	313.361	1.400	50	20	DDGD	
CC(C)c1cccc2c1OCCC2=NNC(=O)C(=O)NC1CC1	753924433	UCKUKHWJJMTNRK-UHFFFAOYSA-N	315.373	1.691	50	20	DDGD	
CCc1ccc([C@@H](C)CC(=O)NNC(=O)c2cc[nH]n2)cc1	855358721	UFHISNNJLKUFSC-NSHDSACASA-N	300.362	1.927	50	20	DDGD	
C[C@H](C(=O)NC[C@@]1(C)C[C@H]1Br)N1CCSCC1	857395378	XDLZDDMWEYBWEY-CKYFFXLPSA-N	321.284	1.713	50	20	DDGD	
C[C@@H](CCC(C)(C)C)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	754032659	ZUBAWHFDGWEOEK-QWHCGFSZSA-N	318.483	1.941	50	20	DDGD	
CCOCCC1(C(=O)NNC(=O)OCC(F)(F)F)CCC1	856021655	JVOAZCYGKVHJIM-UHFFFAOYSA-N	312.288	1.903	50	20	DDGD	
CCc1nc(CNC(=O)NNC(=O)c2cc(C)cs2)co1	858707504	XDRPMJAQMGBBJJ-UHFFFAOYSA-N	308.363	1.751	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1ccc(C2OCCO2)cc1	854287804	OKGCKCDCITYZSX-UHFFFAOYSA-N	315.329	1.145	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1csc([C@@H]2CCCO2)n1	755664017	FRBJIJKEVVMGLK-JTQLQIEISA-N	310.379	1.349	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H](CCO)C(F)(F)F	854616214	DUFJBYBZVSXMJW-UMAGTOLTSA-N	314.263	1.729	50	20	DDGD	
Cc1ccc(NNC(=O)C2(S(C)(=O)=O)CCC2)cc1F	856228584	YFYDEEMTAGEVDV-UHFFFAOYSA-N	300.355	1.545	50	20	DDGD	
Cn1cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2)nn1	755485982	SNKKLXIGFWTEQU-UHFFFAOYSA-N	315.377	1.642	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1cc(Cl)c(N)c(Cl)c1	754704911	JQOKQTXNTOBLDZ-UHFFFAOYSA-N	303.193	1.977	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)c2ccc(CC#N)cc2)cc1	758092055	ZZQILWCLWUCQFC-UHFFFAOYSA-N	323.352	1.901	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1[nH]c(C)nc1C)c1ccccc1	857120297	IZDNFZSBZCABIB-CYBMUJFWSA-N	300.362	1.981	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@@H]1CCCN1CC(F)(F)F	926514999	UHFSKYMUJHSDAT-JTQLQIEISA-N	324.347	1.390	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)N[C@@H](C)C2(CO)CC2)cc(C#N)n1C	855480173	YIVJHYILQIWVBG-VWBIBIBXSA-N	312.373	1.389	50	20	DDGD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNC(=S)N[C@H](C)C1CC1	855099019	PWAFMYNEOGCOLC-RKDXNWHRSA-N	323.466	1.814	50	20	DDGD	
CC(C)(C)c1ncc(NC(=O)NNC(=O)CC(F)(F)F)cn1	756244213	FTRAOJMKWGHLIB-UHFFFAOYSA-N	319.287	1.879	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)OCC(F)(F)F)cc1C#N	856020414	GOJVJIUBKDSLAU-UHFFFAOYSA-N	301.224	1.800	50	20	DDGD	
O=C(NN=C1CCC(=C2CCC2)CC1)[C@H]1CCS(=O)(=O)C1	853284460	DHTXONIFJKNHPR-ZDUSSCGKSA-N	310.419	1.948	50	20	DDGD	
COc1ccc(CCCC(=O)NNC(=O)c2cc[nH]n2)cc1	855359004	BEDIAFCPEQNPAO-UHFFFAOYSA-N	302.334	1.202	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](C)Cn1ccc2ccccc21	854920588	DSRDGDHWZHKZAF-LLVKDONJSA-N	304.419	1.745	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(Cl)c(F)c(Cl)c1	755499034	DVSZEQYSAUGZKO-UHFFFAOYSA-N	310.112	1.932	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)Nc1cnns1	755345133	MZJTYGZGERWBSY-UHFFFAOYSA-N	309.376	1.555	50	20	DDGD	
OB(O)c1ccc(CNc2ccc(OC(F)F)c(F)c2)cc1	864020170	HVIGRGFGWPSOJM-UHFFFAOYSA-N	311.068	1.719	50	20	DDGD	
CCCOc1ccc(NC(=O)C(=O)NNC(=O)C2CC2)cc1C	861801922	CARYXJIWNSBVCR-UHFFFAOYSA-N	319.361	1.280	50	20	DDGD	
Cn1cc(-c2cncc(C(=O)NNc3ncc(F)cn3)c2)cn1	760912297	QNPMUZRJTVZGJU-UHFFFAOYSA-N	313.296	1.168	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc2c1CCN2C(C)=O	769258400	DHVZZLPIDCIBAQ-JTQLQIEISA-N	318.377	1.794	50	20	DDGD	
COc1cc(C#N)ccc1NC(=O)C(=O)NNc1ccccn1	766256398	IQMXUSHBEKNSHB-UHFFFAOYSA-N	311.301	1.044	50	20	DDGD	
COC1(C=NNC(=O)COc2ccc(F)cc2)CCOCC1	761765926	IQUGJAUVGVUBAB-UHFFFAOYSA-N	310.325	1.502	50	20	DDGD	
O=C(Cc1cc[nH]n1)NN=Cc1c(Cl)nc2ccccn12	866110160	RTVKUOHEQLWFMB-UHFFFAOYSA-N	302.725	1.404	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1Br	863146019	KQDPZICTUOOYCQ-NSHDSACASA-N	324.178	1.568	50	20	DDGD	
Cc1ccc2[nH]c3c(c2c1)CC(=NNC(=O)[C@H]1CCC(=O)N1)CC3	863148230	WWRUXTBJEACUEW-MRXNPFEDSA-N	324.384	1.716	50	20	DDGD	
CCOCC(=O)NNC(=O)C(=O)Nc1cccc2ccsc12	764325390	NACDLLOEFLUTBY-UHFFFAOYSA-N	321.358	1.024	50	20	DDGD	
Cc1cccc(CO[C@@H](C)C(=O)NNC(=O)c2ccc[nH]2)c1	864588889	VOLMTPKMUVHOEJ-LBPRGKRZSA-N	301.346	1.689	50	20	DDGD	
CCCNC(=O)NN=C1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1	760254802	RJRXCSMBSKJZFN-NSHDSACASA-N	308.342	1.972	50	20	DDGD	
O=C(Cc1c[nH]c2ccccc12)NN=C1CCS(=O)CC1	761804656	DRIUOPDSIOKBGX-UHFFFAOYSA-N	303.387	1.725	50	20	DDGD	
O=C(CC(F)(F)C(F)(F)F)NNC(=O)NC1CCCC1	865038655	TYADBGXJQCSMCN-UHFFFAOYSA-N	303.231	1.847	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)NCC2CC2)c(-c2cccs2)n1	768943624	UPBUVQILSPUNMF-UHFFFAOYSA-N	319.390	1.503	50	20	DDGD	
O=C(NNC(=O)c1cc2c(s1)CCC2)c1cncc(Cl)n1	760788116	PKJVWBXPRJECPU-UHFFFAOYSA-N	322.777	1.755	50	20	DDGD	
Cc1cnc(C(=O)NNC(=O)CSc2ccccc2O)cn1	764045100	BLAQEGRZGFHMKJ-UHFFFAOYSA-N	318.358	1.044	50	20	DDGD	
CC(=NNC(=O)c1ccc(-n2cnnn2)cc1)c1cscn1	767896594	JEYCUIKNVTWVFG-UHFFFAOYSA-N	313.346	1.273	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)[C@H](C)C(C)(F)F)cn1	874955352	PSPZXPYPGMZHOP-ZETCQYMHSA-N	318.349	1.699	50	20	DDGD	
COCC1(C(=O)NNC(=O)c2nc3ccccc3s2)CC1	874913665	HKBNSEJSSJUQBG-UHFFFAOYSA-N	305.359	1.484	50	20	DDGD	
CC1=NO[C@H](CNC(=O)NNC(=O)CCc2ccccc2)C1	875975829	RTSDTKZVKXKMHS-ZDUSSCGKSA-N	304.350	1.114	50	20	DDGD	
O=C(NNC(=S)Nc1ccccn1)[C@H]1CCCN1C1CC1	874955565	AZVQFEFIBTUKTA-LLVKDONJSA-N	305.407	1.026	50	20	DDGD	
O=C(NNC(=O)c1nccs1)c1cc(-c2cccs2)[nH]n1	770621055	BAAJQYYQNFBNNH-UHFFFAOYSA-N	319.371	1.670	50	20	DDGD	
CCCS(=O)(=O)CC(=O)OC[C@H](C)CBr	770345955	IUKAYRGRJUQWLH-MRVPVSSYSA-N	301.202	1.385	50	20	DDGD	
Cc1ncc(NC(=O)C(=O)NNc2cccc(C#N)c2)s1	773681306	PKVDKGJZWQYHAR-UHFFFAOYSA-N	301.331	1.405	50	20	DDGD	
C#CCCCCCC(=O)NNC(=O)CNC(=O)c1cccs1	779896845	QRSPWBHQVAYXTJ-UHFFFAOYSA-N	321.402	1.209	50	20	DDGD	
CCC[C@@H]1C[C@@H](C(=O)O[C@H](C)C(=O)NNC(=O)CC)CCO1	772254523	IYLONGSSRWMXMJ-GRYCIOLGSA-N	314.382	1.071	50	20	DDGD	
CC(C)CC(=O)NCCC(=O)NNc1nccnc1C(C)C	772868382	HSMLGFKJKSLAJF-UHFFFAOYSA-N	307.398	1.596	50	20	DDGD	
O=C(NNC(=O)C1CCOCC1)N[C@@H]1CCc2ccc(O)cc21	883777396	XOQYLCQTJOFPEC-CQSZACIVSA-N	319.361	1.137	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1cn[nH]c1	772971844	PARJEJHEJFROJP-QMMMGPOBSA-N	308.725	1.292	50	20	DDGD	
COc1cc(C(=O)NNc2ccccn2)cc(OC)c1OC	777475133	MQHCNGBAGJNMHD-UHFFFAOYSA-N	303.318	1.864	50	20	DDGD	
CSCCNC(=S)NNC(=O)CO[C@H]1CCCC[C@H]1C	770246450	SDNZQPWXMNECTC-MNOVXSKESA-N	319.496	1.440	50	20	DDGD	
CC(C)[C@@H](F)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	784016443	INZJRPZUWMGFEE-JOYOIKCWSA-N	300.305	1.735	50	20	DDGD	
C[C@@H]1C(=O)CC[C@@H](C(=O)NNC(=O)NC2CCCC2)C1(C)C	780508546	LECYZOFZBDDIHM-PWSUYJOCSA-N	309.410	1.901	50	20	DDGD	
O=C(NNc1cccc(F)c1)C(=O)Nc1nc2c(s1)CCC2	789747210	UQUSHIHSJZZEMA-UHFFFAOYSA-N	320.349	1.853	50	20	DDGD	
C[C@@]1(C#N)CCCN(C(=O)NNC(=O)c2cccc(C#N)c2)C1	784287202	YAVCNKCMWDMAME-INIZCTEOSA-N	311.345	1.538	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2ccnn2CC(C)C)cc1O	882051940	RZYIFCZYHJFVLY-UHFFFAOYSA-N	316.361	1.628	50	20	DDGD	
CC(C)[C@H]1OCCC[C@@H]1CNS(=O)(=O)CBr	782468970	RDNPBLUCDRPICM-NXEZZACHSA-N	314.245	1.709	50	20	DDGD	
Cn1cc(-c2n[nH]cc2C(=O)NNc2ccc(C#N)cc2)cn1	780952422	UOJQIZHTWUHSIK-UHFFFAOYSA-N	307.317	1.439	50	20	DDGD	
CCOCC(=O)NNC(=O)N[C@@H](Cc1ccccc1)C(C)C	890397970	KBLOHZXQGCFGAY-AWEZNQCLSA-N	307.394	1.621	50	20	DDGD	
CN(C)CCOCCNC(=O)NNc1ccc(Cl)c(F)c1	788016424	FWQOSBSFMMXBQX-UHFFFAOYSA-N	318.780	1.683	50	20	DDGD	
Cc1cccn2c(=O)cc(COC(=O)/C(C#N)=C/C3CC3)nc12	786674668	WUOZQWRVZOBZJQ-NTUHNPAUSA-N	309.325	1.906	50	20	DDGD	
CC(C)(C#N)CC(=O)NNC(=O)c1cccc(OC(F)F)c1	783263420	OXMHNDUHGAYPKV-UHFFFAOYSA-N	311.288	1.989	50	20	DDGD	
O=C(NNc1ccc(-n2ccnc2)nn1)c1cc(Cl)c[nH]1	788175231	QZFVQBOEHRPWNS-UHFFFAOYSA-N	303.713	1.401	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)C[C@@H]1COc2ccccc2O1	899998120	FORBQZBINOTTHK-SNVBAGLBSA-N	323.418	1.510	50	20	DDGD	
COc1cc(C(=O)NNc2ncncc2Cl)cc(OC)c1O	781833732	KXQDZTQJTZWZMR-UHFFFAOYSA-N	324.724	1.610	50	20	DDGD	
Cc1nnc(NNC(=O)C2(Cc3ccc(F)cc3)CC2)nc1O	783879577	DKBVHVFQEAALRW-UHFFFAOYSA-N	317.324	1.491	50	20	DDGD	
CC(=NNC(=O)CCN1CCCCCC1)C(C)(C)n1cncn1	794486159	OLRFRHHFFXIBEC-UHFFFAOYSA-N	320.441	1.771	50	20	DDGD	
COc1c(C(=O)NNc2ncc(F)cn2)cccc1[N+](=O)[O-]	793749217	QVQCENBPHIBDAB-UHFFFAOYSA-N	307.241	1.289	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)Cc1cc(C(C)(C)C)on1	795285787	YWCVUMNNZGCQDU-UHFFFAOYSA-N	317.411	1.469	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2[nH]nnc2-c2ccccc2)n1	797760725	BIUHEONWFAMOGU-UHFFFAOYSA-N	322.328	1.250	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)nc(C)n1	792644458	ZRCOONPEBIKVAX-OAHLLOKOSA-N	320.356	1.791	50	20	DDGD	
CS/C=C\C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	794733099	ZKVDFOJWSDKXSS-HJWRWDBZSA-N	315.420	1.257	50	20	DDGD	
CC(C)c1ccccc1NC(=S)NNC(=O)CC1OCCO1	793987852	IDSSCPGUGPBTPI-UHFFFAOYSA-N	323.418	1.891	50	20	DDGD	
COC(=O)C(=O)NN=Cc1ccccc1OCc1ccccn1	1318909690	OEHUAQIFXLTRNZ-UHFFFAOYSA-N	313.313	1.284	50	20	DDGD	
Cc1cc(C)c(C(=O)OCC(=O)NNC(=O)c2ccccc2)[nH]1	1319333757	QBTGLCQFGALUSU-UHFFFAOYSA-N	315.329	1.250	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@H](CC(C)C)c1ccccc1	1318942455	QCIXMNUXSUYIEM-GFCCVEGCSA-N	307.350	1.277	50	20	DDGD	
COC(=O)c1ccc(NC(=O)NNc2ncccn2)c(C)c1	1320710694	DPYLEQTYTRCMMW-UHFFFAOYSA-N	301.306	1.720	50	20	DDGD	
CC1CC(CNC(=O)C(=O)NC[C@]2(C)C[C@H]2Br)C1	1328966007	BMKINBXQRNTVEE-URSNIEJTSA-N	317.227	1.438	50	20	DDGD	
CSc1cc(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)ccn1	1328133229	AEUSXOLRVBHBHX-MWLCHTKSSA-N	324.406	1.059	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)c1n[nH]c2c1CCCC2	1321072896	XSSJPUUVUFMPBX-TVQRCGJNSA-N	308.382	1.111	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNc2cncc(Br)c2)CCN1C	1326655160	WLMUQSRTQFCOAZ-LDYMZIIASA-N	313.199	1.627	50	20	DDGD	
CC(=O)N1CCC(C(=O)NNc2oc(C(C)C)nc2C#N)CC1	1322113284	IHDNTYOQLGWQHY-UHFFFAOYSA-N	319.365	1.371	50	20	DDGD	
Cc1cc(C)c(NNC(=O)N[C@H](C)c2nnnn2C)c(C)c1	1263759476	COTKWPXDUYVKCW-LLVKDONJSA-N	303.370	1.523	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)c1ccc2nncn2c1	1340277354	SDXJPTBPNYCPQB-UHFFFAOYSA-N	321.300	1.135	50	20	DDGD	
CCC[C@H](O)C(=O)NNC(=O)c1ccc(Br)cc1	1340408991	AJECMPYPZRHJMG-JTQLQIEISA-N	315.167	1.371	50	20	DDGD	
O=C(/C=C\c1nccs1)NNc1nc(-c2ccncc2)no1	1348618919	GCOBVIVKAIXMOP-UPHRSURJSA-N	314.330	1.745	50	20	DDGD	
Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)CCl)CC1	1341509928	SHRHYTDJPJPOHS-CYBMUJFWSA-N	324.808	1.672	50	20	DDGD	
C[C@@H]1[C@@H](C(=O)NNC(=O)c2cccc(OC(F)F)c2)C1(F)F	1527658673	KVMYTEKXPXAMQK-MUWHJKNJSA-N	320.242	1.950	50	20	DDGD	
N#Cc1cccc(NNC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)O)C[C@@H]23)c1	1601121679	REBFJLRBCFOOFD-OXHZDVMGSA-N	314.345	1.684	50	20	DDGD	
Cc1noc([C@@H](C)NC(=O)NNc2cccc(C(=O)O)c2C)n1	1608021523	SOXFELDVJKSMND-MRVPVSSYSA-N	319.321	1.772	50	20	DDGD	
COC(=O)CCN(CC(=O)O)C[C@@H](CBr)C1CC1	1604310926	HZJMGBIIMIXHDT-SNVBAGLBSA-N	322.199	1.357	50	20	DDGD	
CC(C)CCOc1ccccc1CNC(=O)NNC(=O)C(=O)O	1603796168	BFCJFOJPCPQRHB-UHFFFAOYSA-N	323.349	1.027	50	20	DDGD	
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)o1	1603407329	TVRFBFQIMGSJPD-BRPSZJMVSA-N	317.353	1.467	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)C1(C(=O)NC2CC2)CC1	1602230464	IEHHKYCIOUMFBU-UHFFFAOYSA-N	321.308	1.026	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)NC2CCSCC2)cc1	1602127984	IDFNGWRYHRUNTL-UHFFFAOYSA-N	309.391	1.835	50	20	DDGD	
Cc1cc(NC(=O)NNc2ccc(C(=O)O)cc2F)n(C)n1	1600270757	PFADPIKBZNVENQ-UHFFFAOYSA-N	307.285	1.714	50	20	DDGD	
Cc1ccc(NNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc1C(=O)O	1600461328	KBGRDYKAZAZXPH-BJJPWKGXSA-N	302.330	1.560	50	20	DDGD	
C[C@H](CC(=O)NNc1ccc(C(=O)O)c(F)c1)n1ccnc1	1604068087	JHBTYVIMBQOCER-SECBINFHSA-N	306.297	1.815	50	20	DDGD	
O=C(Cc1c[nH]c2cnccc12)NNc1ccccc1C(=O)O	1608356196	JPGGCCBRUSIBNW-UHFFFAOYSA-N	310.313	1.947	50	20	DDGD	
CC(=O)NNC(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1	1609063903	MLRJGCDRALHBHO-UHFFFAOYSA-N	322.328	1.315	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)CC(C)(C)CC(=O)O)cc1	1610340715	JUKUGDBWHUFRGE-UHFFFAOYSA-N	323.349	1.739	50	20	DDGD	
CCC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1cccc(F)c1	1549319393	HSMLGECWDLQWII-GOEBONIOSA-N	319.380	1.919	50	20	DDGD	
COc1cccc(NC(=O)NNC(=O)CCCCCN)c1C	1579280602	KWQPPNONLMCERI-UHFFFAOYSA-N	308.382	1.675	50	20	DDGD	
CCOc1ccc(NC(=S)NNC(=O)[C@@H]2NC[C@@H]3C[C@@H]32)cc1	1578183471	SOAYVWGWOIRTKV-TVYUQYBPSA-N	320.418	1.011	50	20	DDGD	
N#Cc1cccc(NNC(=O)[C@H](N)c2ccc(F)cc2F)c1	1580077933	FHTKUUDEDJTMBZ-CQSZACIVSA-N	302.284	1.980	50	20	DDGD	
CC(=O)C(=O)N1CC2(CCCN2C(=O)[C@](C)(Cl)CCl)C1	1845169869	LWYRIQSRKGPBBV-GFCCVEGCSA-N	321.204	1.015	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)/C=C\c1cc(C(=O)O)co1)C1CC1	1593190071	LBACSJPDQKSCFK-LGYSABEFSA-N	323.374	1.285	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)CCCCC(=O)O)cc1	1593711202	TZKFTRUGANOXRB-UHFFFAOYSA-N	322.365	1.550	50	20	DDGD	
CC(=O)Nc1ccc(C2(NC(=O)[C@H](O)CCl)CCC2)cc1	1787812306	GQXYHRGPWPSREX-CYBMUJFWSA-N	310.781	1.740	50	20	DDGD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl)[C@@H]1CCCO1	1796810439	PYFJXZRCDQWNBT-KZZRWZIVSA-N	318.776	1.338	50	20	DDGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cnn(C)c2)cc1OC	14177789	OTMJJTPYMYPGSD-WUXMJOGZSA-N	312.329	1.983	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cnn(C2CCCC2)c1C	161659281	IPBVTWJNPHDXHQ-UHFFFAOYSA-N	323.397	1.287	50	20	DDGD	
C#CCOc1ccc(C(=O)NNC(=O)Cc2cccnc2)cc1	154485324	UYMCQUUQTVDROK-UHFFFAOYSA-N	309.325	1.097	50	20	DDGD	
COc1cccc2c1CC[C@@H]2NC(=O)NNC(=O)c1ccc[nH]1	154841301	KZVFQMMSWSBHMA-LBPRGKRZSA-N	314.345	1.655	50	20	DDGD	
CO[C@@H]1[C@H]2C[C@@H]3CN(S(=O)(=O)CCCCCl)[C@H]1[C@H]3C2	375679713	OCKYZSQHCGXUIG-FPYNETTCSA-N	307.843	1.690	50	20	DDGD	
COC(=O)N(C)N=C(C)CCN1C(=O)c2ccccc2C1=O	495676211	GFPSBRUMVHQLAX-UHFFFAOYSA-N	303.318	1.747	50	20	DDGD	
O=C(NNC(=O)c1ccc[nH]1)c1cnc(-c2ccccc2)nc1	119506771	XMHYAYLTRUDZFK-UHFFFAOYSA-N	307.313	1.547	50	20	DDGD	
CCc1nc(CC(=O)NNC(=O)Cc2cccnc2)cs1	103422886	KZYSVSXTZHJVOE-UHFFFAOYSA-N	304.375	1.033	50	20	DDGD	
Cn1c(NNC(=O)CCc2ccccn2)nc2ccccc2c1=O	113186523	BRBARTYPYYXPHC-UHFFFAOYSA-N	323.356	1.404	50	20	DDGD	
CCOC[C@H]1CCCN(C(=O)NNC(=O)Cc2cccnc2)C1	113974236	NLQMOQSBPASTOY-AWEZNQCLSA-N	320.393	1.113	50	20	DDGD	
O=C(NC[C@H]1CCCOC1)NNC(=O)c1cc2ccccc2o1	175940403	OJZTYHHCIVCRPM-LLVKDONJSA-N	317.345	1.803	50	20	DDGD	
CCO[C@@H](CCNC(=O)NNC(=O)c1ccc[nH]1)C1CCCC1	176509170	JGPDCEBSQRRUGT-AWEZNQCLSA-N	322.409	1.944	50	20	DDGD	
COCCCNC(=O)NNC(=O)CC(C)(C)c1ccccc1	67237014	JIVGWFQTKJUMMD-UHFFFAOYSA-N	307.394	1.721	50	20	DDGD	
CS(=O)(=O)N[C@@H]1CCCN(/C(=C/C#N)c2ccccc2)C1	177159710	LKEGQYUMOZEXJM-UWZYDCLUSA-N	305.403	1.565	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)NC(C)C)nn1-c1ccc(F)cc1	63269777	ZUGQHCXZVPNZAB-UHFFFAOYSA-N	320.328	1.067	50	20	DDGD	
Cc1cc(C)cc(NC(=O)NNC(=O)Cn2nc(C)cc2C)c1	118999566	JKWUFXOHVHEXAM-UHFFFAOYSA-N	315.377	1.970	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)NCCCCC#N)c1	171728329	WVEGFIXQNXAHLY-UHFFFAOYSA-N	304.350	1.398	50	20	DDGD	
COc1ccc(C(=O)CCCC(=O)NNC(=O)NC(C)C)cc1	63265720	QYTIZDLFAVONSD-UHFFFAOYSA-N	321.377	1.787	50	20	DDGD	
CCOC(=O)c1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)o1	177610761	GSFCBNDNEAEEDR-RUNBWSAHSA-N	318.329	1.658	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)CCC(C)(C)c1ccccc1	125380089	JWEHTYBNYWENIP-UHFFFAOYSA-N	319.405	1.416	50	20	DDGD	
COc1cccc(CCC(=O)NNC(=O)c2ccc(C#N)cc2)c1	129144115	ANBWPRMWZLTXPC-UHFFFAOYSA-N	323.352	1.961	50	20	DDGD	
Cc1cc(NNC(=O)[C@@H](C)OC[C@@H]2CCCCO2)nc(C)n1	128923822	HWSRYPWZQQBMTE-YPMHNXCESA-N	308.382	1.511	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)c2ccc(F)cn2)c1	184239826	MFHYZAIZOSYATP-UHFFFAOYSA-N	314.345	1.833	50	20	DDGD	
CC(C)COc1ncccc1C(=O)NNc1ncc(F)cn1	122870883	HCECMKTYAVEOMR-UHFFFAOYSA-N	305.313	1.802	50	20	DDGD	
N#Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CC=CCC2)cc1	77641537	ZIJPAEJCHDNQOM-CYBMUJFWSA-N	314.345	1.376	50	20	DDGD	
Cn1nccc1CCNC(=O)NNc1cccc([N+](=O)[O-])c1	185013217	RMUVKNKCLRBOMT-UHFFFAOYSA-N	304.310	1.197	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1ccccc1[N+](=O)[O-]	78320777	ZWNDTOQIYWCGPH-UHFFFAOYSA-N	317.276	1.738	50	20	DDGD	
CCc1cc(C(=O)NNC(=O)c2ccc3ccccc3n2)[nH]n1	122339488	GTHNPOWCWFBQRV-UHFFFAOYSA-N	309.329	1.595	50	20	DDGD	
Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NNC(=O)CN(C)C	75653909	ABIPYHPABXYHEN-ZDUSSCGKSA-N	321.421	1.595	50	20	DDGD	
Cc1cc(NC(=O)c2ccco2)sc1C(=O)NN(C)C(N)=O	181063897	FBGTYOOALZZKJR-UHFFFAOYSA-N	322.346	1.557	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C2(O)CCC2)c1C	184593083	SNQUIUBRGZLHTK-LBPRGKRZSA-N	306.362	1.133	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)NC[C@H]1CCCS1	125317985	CLMMSRQHBNVKID-GFCCVEGCSA-N	311.382	1.594	50	20	DDGD	
O=C(CCn1cnc2sccc2c1=O)NNc1ccncc1	180532149	APNPMAFOBSDLBZ-UHFFFAOYSA-N	315.358	1.386	50	20	DDGD	
CCCC[C@H](CCC)CNC(=O)NNC(=O)c1cnn(C)c1	128062261	STAQVDVZQRWMER-LBPRGKRZSA-N	309.414	1.971	50	20	DDGD	
O=C(Cn1c(=O)cnc2ccccc21)NNc1ccnc(F)c1	182515449	ISSZXFSVHMLVIB-UHFFFAOYSA-N	313.292	1.074	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)N[C@H]2CC=CCC2)c1	77641498	YYKYRMSOPFAVFY-ZDUSSCGKSA-N	302.378	1.805	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21	121926880	KVUKDYSINCWLEU-BBBLOLIVSA-N	311.773	1.714	50	20	DDGD	
CSC1(C(=O)NNC(=O)Cn2ccc3ccccc32)CC1	188772468	ZGRTYWBMJPXEHX-UHFFFAOYSA-N	303.387	1.684	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@@H](O)c1c(F)cccc1F	77567960	CEZUCVNARFDDDN-SNVBAGLBSA-N	315.320	1.375	50	20	DDGD	
CCOCCC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	76839745	GIHGBNSHUSZDCX-ZDUSSCGKSA-N	308.378	1.645	50	20	DDGD	
O=C(NCCc1cscn1)NNc1nc2ccccn2n1	189614125	FRRKZLSBRBECEQ-UHFFFAOYSA-N	303.351	1.055	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Cc1ccc(O)cc1	133718968	NCGBWZSSRKBVND-UHFFFAOYSA-N	300.314	1.405	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C(C)(C)C#N)cc1	42127726	BJIVNMZSKUMQRL-LLVKDONJSA-N	319.361	1.550	50	20	DDGD	
C[C@H](OCc1ccccc1)C(=O)NNC(=S)N[C@H](C)C1CC1	83676250	AQPUZOANZVYLRY-NEPJUHHUSA-N	321.446	1.886	50	20	DDGD	
CN(C)c1cccc(C(=O)NNC(=O)Nc2cnns2)c1	192374543	WIEWFMJEGGZXLH-UHFFFAOYSA-N	306.351	1.071	50	20	DDGD	
CC[C@H](C)OCC(=O)NNC(=O)Cc1c[nH]c2ccccc12	133126279	QUHHDEIBYZFLLO-NSHDSACASA-N	303.362	1.673	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)Nc2ccc(C(N)=O)cc2)n1	42904623	RCYQNAPKBIIMJC-UHFFFAOYSA-N	300.322	1.341	50	20	DDGD	
O=C(NNS(=O)(=O)c1cccs1)NC1CCCCC1	192733801	SQAHFUIRSBKPGV-UHFFFAOYSA-N	303.409	1.573	50	20	DDGD	
CC(=O)NNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	192864486	MRWPIJVQYYVUEO-LBPRGKRZSA-N	323.780	1.360	50	20	DDGD	
CCCn1ccnc1CCCN(C)C(=O)NNC(=O)C(C)(C)C	190581778	YZZYQLLCMIULLE-UHFFFAOYSA-N	323.441	1.944	50	20	DDGD	
Cc1ccc(C(=O)NNS(=O)(=O)c2ccccc2Cl)o1	84461419	ZOXLIMBLRHKWQQ-UHFFFAOYSA-N	314.750	1.865	50	20	DDGD	
Cc1cc(C)nc(SCC(=O)NN=Cc2ccccn2)n1	253481031	AFWGMPPNCHNGCO-UHFFFAOYSA-N	301.375	1.731	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccn(C)c2)c1	268582593	KTLHXYFCFSWPII-UHFFFAOYSA-N	301.346	1.482	50	20	DDGD	
COC[C@@H](NC(=O)NNC(=O)COc1cccc(C)c1)C1CC1	269653093	HESCQWLBDPNCJG-CQSZACIVSA-N	321.377	1.129	50	20	DDGD	
COc1cc(C)nc(NNC(=O)Cc2ccc3c(c2)CCO3)n1	266903817	HWEMJINIEBZJMU-UHFFFAOYSA-N	314.345	1.414	50	20	DDGD	
Cc1ccc(C)c(NC(=S)NNC(=O)C[C@H]2COC(=O)C2)c1	268847093	RUYCDRADWGWEGG-LLVKDONJSA-N	321.402	1.574	50	20	DDGD	
CCN(CCNC(=O)NNc1cccnn1)C(=O)OC(C)(C)C	265476963	NTGDYFYXAIXZGL-UHFFFAOYSA-N	324.385	1.360	50	20	DDGD	
CN(CC(=O)NNc1nccnc1Cl)C(=O)OC(C)(C)C	265217906	WMBUMIOCGUSIBC-UHFFFAOYSA-N	315.761	1.440	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@H]2CCC[C@H](SC)C2)n1	265403817	WWLWKHWYQZHPMD-UWVGGRQHSA-N	311.411	1.786	50	20	DDGD	
C[C@H](NC(=O)NNc1ncnc2ccsc12)[C@H]1CCOC1	268887243	ODHYAQZYIBUEAK-IUCAKERBSA-N	307.379	1.742	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cscn2)c1C	264163422	URGZSOUPGFMWRB-LLVKDONJSA-N	319.386	1.988	50	20	DDGD	
CCCSc1nsc(NC(=O)NNC(=O)C2CC2)n1	274172294	WSICXDDIWLWKBE-UHFFFAOYSA-N	301.397	1.603	50	20	DDGD	
O=C(CNC(=O)c1cccs1)NNC(=O)C[C@H]1C=CCCC1	274981781	GGCMXPWFSFJQKT-NSHDSACASA-N	321.402	1.372	50	20	DDGD	
O=C(NCC[C@@H]1CCCCO1)NNC(=O)c1ccccc1O	272527584	AEFPZABMOLRJJY-NSHDSACASA-N	307.350	1.295	50	20	DDGD	
CCN(CCNC(=O)NNc1cccc(C(=O)OC)c1)C1CC1	272657456	MAVQBQAMKYVCCP-UHFFFAOYSA-N	320.393	1.584	50	20	DDGD	
CC(=O)NNC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)cc1	273191295	JBOMQIOESHZTJE-PHIMTYICSA-N	306.366	1.473	50	20	DDGD	
Cc1cccnc1NNC(=O)NCC1(C(=O)N(C)C)CCCC1	276594246	ACKDVDHGKROWMH-UHFFFAOYSA-N	319.409	1.665	50	20	DDGD	
Cc1cc(NS(=O)(=O)CCCCCl)c(C(N)=O)cc1F	276226221	MTDHBLGPYFSQHM-UHFFFAOYSA-N	322.789	1.994	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCc1cnn(-c2ccccc2)c1	271433701	QGWDUIPCZNDUPC-UHFFFAOYSA-N	315.377	1.497	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(C(=O)OC)c(C)c1	275997037	GMGHOQBFNDOBCF-UHFFFAOYSA-N	308.338	1.479	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)nc1	276045691	YGUPOCYUFSTPJW-OASPWFOLSA-N	308.382	1.776	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(-c2ncn(C)n2)cc1	276049449	OSMQQWVYJMIMOR-UHFFFAOYSA-N	317.353	1.180	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)nc1	363736300	IQVHLUPQESJFGV-MRVWCRGKSA-N	320.393	1.920	50	20	DDGD	
CCCN(CC)CCNC(=O)NNc1cccc(C(=O)OC)c1	272698677	XWVXYMOOJIXYPC-UHFFFAOYSA-N	322.409	1.831	50	20	DDGD	
COc1ccc(S(=O)(=O)N2CC=C(C#N)CC2)cc1[N+](=O)[O-]	272705028	BNYDQPKOHSTROA-UHFFFAOYSA-N	323.330	1.448	50	20	DDGD	
COc1ccccc1SCC(=O)NNC(=O)C1(O)CCCC1	270663987	PKCLIOXUYJZFOH-UHFFFAOYSA-N	324.402	1.240	50	20	DDGD	
CCNC(=O)N(C)NS(=O)(=O)c1cc(Cl)ccc1OC	278828056	QHKSSHBJGLIJAN-UHFFFAOYSA-N	321.786	1.203	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1scnc1C	276607046	SDNPPFIATXWTGM-UHFFFAOYSA-N	301.368	1.002	50	20	DDGD	
Cc1ccc(CNC(=O)NCC(=O)N2CC=C(C#N)CC2)cc1	273687554	GRBNTRCLLWBJKG-UHFFFAOYSA-N	312.373	1.477	50	20	DDGD	
NNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(F)cc1F	270215835	KOYDNWBPGZTXDC-FZZIBODNSA-N	323.343	1.728	50	20	DDGD	
COC(C)(C)CC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	278697162	FPXUHJOPJIJDEU-JTQLQIEISA-N	312.341	1.556	50	20	DDGD	
C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2C[C@]23CCOC3)c1	372054506	ZECHPEBWZRWWHQ-BBRMVZONSA-N	315.398	1.412	50	20	DDGD	
O=C(Cc1ccncc1)NNC(=O)Nc1cc2n(n1)CCCC2	287278824	HZJSLUHNHMBWLP-UHFFFAOYSA-N	314.349	1.010	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C(C)(C)CSC	281749580	BSFCJMFEIJPQED-UHFFFAOYSA-N	310.419	1.774	50	20	DDGD	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NNc1ccc(OC)cn1	281814434	OCRNUYLLHRUQFS-RISCZKNCSA-N	306.366	1.698	50	20	DDGD	
CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	298659594	OFJUTKUIYPFJJL-GBIKHYSHSA-N	310.325	1.165	50	20	DDGD	
CC(C)[C@@H](C(=O)NNc1ccncn1)N1C[C@@H](C)O[C@H](C)C1	295554869	UHGCBQKOKRUCHD-BZPMIXESSA-N	307.398	1.054	50	20	DDGD	
COc1ccc(CCCNC(=O)NNc2ccncn2)cc1	296440724	UPQQLIPKWDLBOZ-UHFFFAOYSA-N	301.350	1.744	50	20	DDGD	
O=C(CCOc1ccccc1)NNC(=O)CSC(F)F	299243328	KUOYALHSBIANIS-UHFFFAOYSA-N	304.318	1.559	50	20	DDGD	
COc1cc(NNC(=O)COCc2ccnn2C)ccc1Cl	803262158	URWWXVWLOZOCHI-UHFFFAOYSA-N	324.768	1.742	50	20	DDGD	
N#Cc1ccncc1C(=O)NNC(=O)Cc1c[nH]c2ccccc12	805150402	DTBNTHHSAGNOKM-UHFFFAOYSA-N	319.324	1.438	50	20	DDGD	
CC[C@@H](C)CONC(=O)NNC(=O)COc1ccc(C)cc1	291912489	QUWHMKMAEOEEES-LLVKDONJSA-N	309.366	1.682	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCC(O)CC2)cc1	298304649	FQFSAMWGNAEYAJ-SDNWHVSQSA-N	300.358	1.976	50	20	DDGD	
Cc1nnc(COCC(=O)NNc2c(F)cccc2F)s1	802825841	XFEZMIKVPJRKSY-UHFFFAOYSA-N	314.317	1.785	50	20	DDGD	
CCOC(=O)C(C)(C)CC(=O)NNc1ncncc1Cl	807324105	ZNCVXAUMOQVRPP-UHFFFAOYSA-N	300.746	1.553	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(C(F)(F)F)cc1O	294641270	MDFCNXTXKKQLFE-JTQLQIEISA-N	318.251	1.351	50	20	DDGD	
O=C(NNc1cccnn1)[C@@H](O)c1cccc(C(F)(F)F)c1	803099347	QZGIEQFMWPLSDU-NSHDSACASA-N	312.251	1.672	50	20	DDGD	
CO[C@@H]1CCN(C(=O)NNC(=O)c2ccccc2)CC1(C)C	297357459	DQBGQOWBUHGVPV-CYBMUJFWSA-N	305.378	1.788	50	20	DDGD	
Cc1cc(NNC(=O)c2nc3cccnc3s2)nc(C)n1	806889883	MLCIMICHLMWKMT-UHFFFAOYSA-N	300.347	1.855	50	20	DDGD	
O=C(CNC(=O)COc1ccccc1)NCC(Cl)Cl	294726565	PRZKWJFHECBUDL-UHFFFAOYSA-N	305.161	1.102	50	20	DDGD	
C[C@](O)(CCc1ccccc1)C(=O)NNC(=O)C1CCCC1	801131462	GFSJQTFZKLMBNR-KRWDZBQOSA-N	304.390	1.708	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NC[C@@H]1C[C@@H]1C	298732861	MIQBQQIOHIGSGW-AAEUAGOBSA-N	305.378	1.614	50	20	DDGD	
C/C=C(/CC)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O	809985421	MXIDCJMQLAQISO-JYOAFUTRSA-N	314.345	1.695	50	20	DDGD	
Cn1nncc1CNC(=O)NNc1cc(F)c(F)c(F)c1	807611769	AJGKGZSQBVDSLE-UHFFFAOYSA-N	300.244	1.059	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@]12CCc1ccccc12)[C@H]1CCCCO1	295269827	BTDOGNHXYAXTFF-DAYGRLMNSA-N	314.385	1.607	50	20	DDGD	
CCOC1(C)CCN(C(=O)NNC(=O)Cc2cccnc2)CC1	292838050	YGLRJZHYWYYLNN-UHFFFAOYSA-N	320.393	1.256	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2cccc3[nH]ccc23)O1	293063295	ZCDIOFHDNHGNAT-ZANVPECISA-N	302.334	1.888	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1ccc(C2CC2)nc1C	294739045	OCDHNKMUBRGBOS-UHFFFAOYSA-N	306.366	1.248	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)CCOC(C)C	298329067	OQAPNPAMLSAUHP-UHFFFAOYSA-N	309.366	1.070	50	20	DDGD	
O=C(NN=Cc1cc2ccccc2o1)[C@H]1CCS(=O)(=O)C1	812455735	QNTLQMOEBIAJCL-NSHDSACASA-N	306.343	1.318	50	20	DDGD	
N#CCCn1ncc(C(=O)NNc2nc[nH]n2)c1-c1ccccc1	816631072	FSIZAZQNCHSDKC-UHFFFAOYSA-N	322.332	1.339	50	20	DDGD	
CC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1cc(CO)on1	812222765	PWEGGZADAILBAP-UHFFFAOYSA-N	304.262	1.229	50	20	DDGD	
O=C(NNc1nc[nH]n1)c1csc(Nc2ccccn2)n1	816633176	RFHMSWGJAULPOV-UHFFFAOYSA-N	302.323	1.157	50	20	DDGD	
Cc1ccccc1C(=O)NN=C1CCN(CC(C)(C)O)CC1	814216346	IRFBRKMRHNBJFX-UHFFFAOYSA-N	303.406	1.948	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)c2ccccc2)cc1	812729861	WEJJRVNTXVSTGM-UHFFFAOYSA-N	319.386	1.694	50	20	DDGD	
Cn1cc(C=NNC(=O)Cc2cc[nH]n2)c(C2CCCCC2)n1	814956403	VQLQQYIMQQHJEY-UHFFFAOYSA-N	314.393	1.884	50	20	DDGD	
COc1ccc(OCCCC(=O)NNc2cnnn2C)cc1	816771013	VJEPDTHDJYGVMJ-UHFFFAOYSA-N	305.338	1.126	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@H](C)CC	818029687	CCSHDBKLZMVOPP-LLVKDONJSA-N	302.378	1.792	50	20	DDGD	
CCOc1ccccc1OCCCC(=O)NNc1cnnn1C	816768901	MKIRROPBHYRSGQ-UHFFFAOYSA-N	319.365	1.516	50	20	DDGD	
CC(=NNC(=O)C(N)=O)c1ccc(-c2c(F)cccc2F)cc1	811630049	RIJVXQFSVCYTHH-UHFFFAOYSA-N	317.295	1.957	50	20	DDGD	
CN(NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC1	819642345	JOWXALDLSLYBQP-UHFFFAOYSA-N	304.350	1.934	50	20	DDGD	
O=C(NNC(=O)c1cnccn1)Nc1cc2c(cn1)CCCC2	813013853	HFZLOTTWJUTAPT-UHFFFAOYSA-N	312.333	1.217	50	20	DDGD	
CC(=NNC(=O)CN(C)C)c1nnn(-c2ccc(C)cc2)c1C	814832080	DKMUDTSRCOTDOF-UHFFFAOYSA-N	314.393	1.286	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)NCCC(C)(C)C(=O)O)c(C)o1	818623587	IIOIGIGDMQKHDW-UHFFFAOYSA-N	311.338	1.341	50	20	DDGD	
CC(=NNC(=O)c1cc(Cl)ccc1O)c1cc(CO)on1	812224681	SCYVIAHARCESRX-UHFFFAOYSA-N	309.709	1.680	50	20	DDGD	
Cc1cc(C#N)cnc1C(=O)NNC(=O)c1cccc(C#N)c1	815399364	SMXVIXIIBIPLAC-UHFFFAOYSA-N	305.297	1.208	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)[C@@H](F)C(F)(F)F	815115716	XOALFKXPNMZEKA-SSDOTTSWSA-N	313.276	1.521	50	20	DDGD	
CCOC(=O)c1cnc(C)c(C(=O)NNc2ncncc2F)c1	817078781	UKYSXURVZZFDJS-UHFFFAOYSA-N	319.296	1.253	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NN=C1COCCOC1	814916366	GZGUFDNKWCJBAP-JTQLQIEISA-N	312.753	1.626	50	20	DDGD	
Cc1nc2scc(C)n2c1C=NNC(=O)Cc1cc[nH]n1	814956431	XJGXSQMYTBLSGR-UHFFFAOYSA-N	302.363	1.429	50	20	DDGD	
Cc1cc(C(=O)NN=C2CCC(CS(C)(=O)=O)CC2)n[nH]1	814876302	RLSXEYSSNSEGTO-UHFFFAOYSA-N	312.395	1.039	50	20	DDGD	
CC[C@@H]1[C@@H](C(=O)NN(C)C(N)=O)CCN1C(=O)OC(C)(C)C	497250164	BPYJSVQFZPGVMZ-VHSXEESVSA-N	314.386	1.064	50	20	DDGD	
CCNC(=O)CCC(=O)NNc1nc2c(C)cccc2s1	828362759	PTJCGZZTKVAVKL-UHFFFAOYSA-N	306.391	1.964	50	20	DDGD	
CCN(CCO)NC(=O)CCCCC(=O)c1ccc(F)cc1	823874825	YSUPREDVSUXHNE-UHFFFAOYSA-N	310.369	1.914	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CCN(c3ccccc3)C2)nc(N)n1	828371582	LBYHBOVSNVFSBV-LBPRGKRZSA-N	312.377	1.337	50	20	DDGD	
CCc1ccc([C@H](O)CNC(=O)/C(C#N)=C\c2cnn(C)c2)cc1	491087269	WQDVAFFCTPKZMZ-QOTSWMAJSA-N	324.384	1.739	50	20	DDGD	
CN(C)CCn1cc(NC(=O)NNc2ccc(Cl)cn2)cn1	821500980	JBSASFYNIIBVIF-UHFFFAOYSA-N	323.788	1.642	50	20	DDGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NN(CC)CCO)c1C	823841608	IZHNRVYBWPBQGN-WJDWOHSUSA-N	318.421	1.767	50	20	DDGD	
COC(=O)NNC(=O)Nc1cccc(-c2nnc3n2CCC3)c1	490869495	QTKMJFDURVEGLH-UHFFFAOYSA-N	316.321	1.284	50	20	DDGD	
C[C@@]1(C(=O)NCC2CCS(=O)(=O)CC2)C[C@@H]1Br	820102961	LKFAPUYBUWRSMN-GXSJLCMTSA-N	324.240	1.101	50	20	DDGD	
CCn1nc(C)c(C(=O)NNC(=O)CCc2ccccc2)c1C	726943602	QSWLUDYMIAKLIL-UHFFFAOYSA-N	314.389	1.914	50	20	DDGD	
CC1(C)CN(CCNC(=O)NNc2cccc(C#N)c2)CCO1	726262780	QHUASBDFBDKMFW-UHFFFAOYSA-N	317.393	1.295	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)NCC[C@@H](C)OC	726714942	YXMMNGIWZDBSJY-GFCCVEGCSA-N	323.393	1.383	50	20	DDGD	
C[C@@H](CO)N(C)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1	823987659	KPJWEFPAPSUXIY-VHSXEESVSA-N	313.379	1.419	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H](C)C(=O)NCCc1ccccc1	490970220	GKORAZPGAJIVAZ-DKXRRRNBSA-N	315.373	1.294	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCc2c(nnn2-c2ccccc2)C1	491086784	VEWBKWMOFYYXPX-OUKQBFOZSA-N	323.356	1.596	50	20	DDGD	
O=C(c1ccc(B(O)O)c(F)c1)N1CCCC2(CCCC2)C1	584979552	XEPFVSOHUGCZPJ-UHFFFAOYSA-N	305.158	1.302	50	20	DDGD	
CCSc1ccccc1CC(=O)NNC(=O)Cc1cc[nH]n1	906603600	XIBLKBGIQYDPAP-UHFFFAOYSA-N	318.402	1.454	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCC1CCCC1	494642599	YBCIOYRTEMPQOI-UHFFFAOYSA-N	313.398	1.629	50	20	DDGD	
O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@@H](B(O)O)C1	585074927	POCQHSFISAVKLT-SECBINFHSA-N	320.135	1.498	50	20	DDGD	
OB(O)c1ccc(CNc2ccc([C@@H]3CCOC3)cc2)c(F)c1	585043719	UGVJRYSIZCOKRN-CQSZACIVSA-N	315.153	1.622	50	20	DDGD	
CCN(CCO)NC(=O)c1ccccc1NCc1ccco1	823893468	KCWAFGKSWJPJJZ-UHFFFAOYSA-N	303.362	1.851	50	20	DDGD	
CCCn1nccc1C(=O)NNC(=O)NCCc1cccs1	823811034	ZVTWJORAAAXJEX-UHFFFAOYSA-N	321.406	1.541	50	20	DDGD	
Cc1cccc([C@H](CC(=O)NNC(=O)C2CCC2)NC(N)=O)c1	732140561	DIVBNGRKQAJEBN-ZDUSSCGKSA-N	318.377	1.042	50	20	DDGD	
Cn1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)NC(=O)CO3)n1	490697113	QAAGBBRHBJYDGQ-IZZDOVSWSA-N	323.312	1.297	50	20	DDGD	
CCCONC(=O)NNC(=O)CSc1ccccc1OC	828302365	VJSKFHXOLRCSAV-UHFFFAOYSA-N	313.379	1.459	50	20	DDGD	
CSC[C@@H]1CCCN(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)C1	827269433	XRJPPDLFPFJMKG-IJLUTSLNSA-N	315.439	1.227	50	20	DDGD	
COc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1-c1nn[nH]n1	737075471	KADQJULTWWQRMJ-WDZFZDKYSA-N	312.333	1.307	50	20	DDGD	
CN1CCO[C@H](C(=O)NNc2c(Cl)cccc2Cl)C1=O	901083601	NBKJRUPKHNKOBI-SNVBAGLBSA-N	318.160	1.294	50	20	DDGD	
CN1C(=O)CCC[C@H]1C(=O)NNc1cc(C#N)cc(Cl)n1	907191071	PEUFSVLFCCHFTQ-VIFPVBQESA-N	307.741	1.061	50	20	DDGD	
CCO/C=C(/C#N)C(=O)N[C@H]1CC(=O)N(c2ccccc2F)C1	491044788	DAWCRUQXVHAWSX-WEHUKYGOSA-N	317.320	1.491	50	20	DDGD	
OB(O)c1ccccc1CNC1CCN(C2CCCCC2)CC1	585025947	GZHFTVKRFFYLQH-UHFFFAOYSA-N	316.254	1.253	50	20	DDGD	
C=CCN1CCC(NC(=O)[C@@]2(C)C[C@H]2Br)CC1	906592060	KDXUSQRVMDWZJO-YPMHNXCESA-N	301.228	1.927	50	20	DDGD	
COc1cc(C)nc(NNC(=O)N[C@H](C)[C@@H](OC)C2CC2)n1	836642349	RXQAKIMAMYVGQG-BXKDBHETSA-N	309.370	1.233	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(Cn3ccnc3)cc2)ncn1	734255583	MTOLPAHJJGFJJW-UHFFFAOYSA-N	308.345	1.787	50	20	DDGD	
N#C/C(=C\c1c[nH]c(C(F)(F)F)c1)S(=O)(=O)NC1CC1	834434796	UFBPOGQSMHZWPT-YCRREMRBSA-N	305.281	1.980	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCN1C1CCCC1)[C@@H]1CCCCO1	833246702	PVRQWKMBWPDZCS-KBPBESRZSA-N	309.410	1.110	50	20	DDGD	
CCOC(=O)[C@H](CC(=O)NNc1ccc(C#N)cc1)C(C)=O	830776790	WVRSJJSXLZRUSG-CYBMUJFWSA-N	303.318	1.160	50	20	DDGD	
OB(O)c1ccccc1CN[C@@H]1CCOc2c(Cl)cccc21	585018805	SWQZJVDMMWEXCS-OAHLLOKOSA-N	317.581	1.633	50	20	DDGD	
O=C1CC(C(=O)NNC(=O)[C@H]2CCCCO2)(c2ccccc2)C1	833235291	AKSWRQPBCIYRGB-CQSZACIVSA-N	316.357	1.004	50	20	DDGD	
CC(C)[C@H](NS(=O)(=O)CBr)[C@H](CO)C(C)C	832237841	XTGSTQXDEIXDRA-ZJUUUORDSA-N	316.261	1.547	50	20	DDGD	
CNC(=O)C[C@@H](C)NC(=O)NNc1cc(F)c(F)cc1F	838696385	CLKXZRRWMRMWES-ZCFIWIBFSA-N	304.272	1.255	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H](C)NS(C)(=O)=O)c(Cl)c1	836936444	KUHVRGITUBEEFU-QMMMGPOBSA-N	305.787	1.029	50	20	DDGD	
CC[C@H](CC(=O)NNC(=O)c1ncon1)c1ccc(C)cc1	832825674	DCKIXPZWYPPZHR-LLVKDONJSA-N	302.334	1.723	50	20	DDGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@H]1CCC(=O)N1	732282948	YWUQZKRNOYXLLV-LLVKDONJSA-N	320.418	1.154	50	20	DDGD	
C[C@H](NCc1cccc(B(O)O)c1)[C@@H]1OCCc2sccc21	585044110	ZTEVBOSQLIZDFL-ZBEGNZNMSA-N	317.219	1.220	50	20	DDGD	
Cc1cc(C)c2c(c1)N(C(=O)c1ccc(B(O)O)cc1)CCC2	584939706	MHUNQRBLSWAZGF-UHFFFAOYSA-N	309.174	1.576	50	20	DDGD	
COc1cccc2cc(C(=O)NNC(=O)c3ccccn3)oc12	915059530	XQEDFJNHWNNGOZ-UHFFFAOYSA-N	311.297	1.911	50	20	DDGD	
O=C1COc2cc(C(=O)NNc3ccc(Cl)nn3)ccc2N1	735688948	AVWRXVMCAXLRPY-UHFFFAOYSA-N	319.708	1.218	50	20	DDGD	
CC(C)(C(=O)NNC(=O)CN1CCCC1=O)C1CCCCC1	913732236	NKNYENOCRYDXTN-UHFFFAOYSA-N	309.410	1.363	50	20	DDGD	
COC(=O)[C@H](CC(C)(C)C)OC(=O)/C(C#N)=C\c1cnn(C)c1	837972996	ZFVRJXFHOZBRDA-TZQNSNDFSA-N	319.361	1.848	50	20	DDGD	
O=C(NNS(=O)(=O)c1cc2ccccc2o1)[C@@H]1CCCCO1	830035114	YDFMEGSFUUEWND-LBPRGKRZSA-N	324.358	1.311	50	20	DDGD	
COc1ccc(OC(F)(F)F)c(C(=O)NN(C)C[C@H](C)O)c1	910150772	VYXSFGFGYGEPPU-QMMMGPOBSA-N	322.283	1.551	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCO1)c1cc(-c2cccs2)on1	833256600	PLBGKDFGUICDPQ-SNVBAGLBSA-N	321.358	1.733	50	20	DDGD	
CN(CC(Cl)Cl)C(=O)CCc1ccc(C(N)=O)cc1	848083620	HWECERNYYCDEKV-UHFFFAOYSA-N	303.189	1.980	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cn1cccn1)c1ccncc1	746090587	FCJONGILDVGMTJ-UHFFFAOYSA-N	321.340	1.401	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CSCC(=O)OC(C)C)cc1	741475812	DUUWSQWQZYDUBO-UHFFFAOYSA-N	324.402	1.441	50	20	DDGD	
C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=Cc1cscn1	918711606	SOHROSIQDHLEJP-QJPTWQEYSA-N	310.423	1.339	50	20	DDGD	
CN(CCP(=O)(c1ccccc1)c1ccccc1)CC(N)=O	919674458	UUQLEUGFMKSRNI-UHFFFAOYSA-N	316.341	1.418	50	20	DDGD	
C[C@@H](CCCCN)NC(=O)NNc1ncnc2ccsc12	841994003	GHOPUCJTPFBXKL-VIFPVBQESA-N	308.411	1.835	50	20	DDGD	
O=C(NC[C@H](O)c1ccccc1F)NNC(=O)C1CCCC1	916472654	ZKUOLSRPVRXITO-ZDUSSCGKSA-N	309.341	1.380	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)Cn2cc3ccccc3n2)cc1	748530047	PBRATMPAKLHWJT-UHFFFAOYSA-N	319.324	1.369	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNc2oc(C(C)C)nc2C#N)C1	746148170	ZJJWQTVHTWKJLM-JTQLQIEISA-N	319.365	1.371	50	20	DDGD	
CC[C@@H](C)C(=O)NNS(=O)(=O)Cc1cccc(Cl)c1	848449547	QBKCGDRJJWMIME-SECBINFHSA-N	304.799	1.837	50	20	DDGD	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1C[C@H]2C[C@H]2N1	843438559	ONUNKUQVSKQXRT-IEBDPFPHSA-N	319.752	1.584	50	20	DDGD	
CCCN1C[C@H](CNC(=O)[C@]2(C)C[C@@H]2Br)CC1=O	911174447	WYGNBODPXONZBT-OUJBWJOFSA-N	317.227	1.535	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1=NO[C@@H](c2ccccc2)C1	843642787	GXPVPNWHSNARHZ-VHRBIJSZSA-N	317.345	1.076	50	20	DDGD	
C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(N(C)C)c2)CS1	840414741	BVFBOPIAXCUNTG-ZYHUDNBSSA-N	322.434	1.591	50	20	DDGD	
COC(=O)c1cccc(NC(=O)NNC(=O)C2CC2)c1OC	844774613	JTAWHJWHRUZDDE-UHFFFAOYSA-N	307.306	1.045	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@H](C)Oc1ccc(C)cc1	745887717	DHZRJBYWUAOMKH-LBPRGKRZSA-N	309.366	1.129	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1	910156042	QQNLKRJIKYWSEO-WRWORJQWSA-N	307.177	1.371	50	20	DDGD	
O=C1Nc2cc(O)ccc2C1=NNC(=O)c1c[nH]c2ccccc12	915939991	UPALBFARSKLITM-UHFFFAOYSA-N	320.308	1.960	50	20	DDGD	
COC1([C@H](C)NC(=O)NNC(=O)c2ccccc2F)CCC1	840454411	YIWNMFLCCDYEKI-JTQLQIEISA-N	309.341	1.727	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCCOc1ccccc1F	843646369	PSNWYYDOWJDUIB-RYUDHWBXSA-N	324.352	1.557	50	20	DDGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@H]1COc2ccccc2O1	748005639	CMLFFVBQEZWDTJ-CQSZACIVSA-N	315.285	1.878	50	20	DDGD	
Cn1ccnc(NNC(=O)CCCc2c(F)cccc2F)c1=O	848371777	WEOANOWVZCAQAH-UHFFFAOYSA-N	322.315	1.525	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(Cl)c2)CCN1C	745856377	CHLXLTNEWIKTIY-GXFFZTMASA-N	324.812	1.767	50	20	DDGD	
CC[C@@H](C)[C@H](OC)C(=O)NNc1ccc(CC(=O)OC)cc1	846375780	KBOPPCKETHRNRO-ABAIWWIYSA-N	308.378	1.906	50	20	DDGD	
COc1ncnc(N)c1C=NNC(=O)c1ccc(O)c(Cl)c1	747631778	WXDILVUZPHUFPJ-UHFFFAOYSA-N	321.724	1.190	50	20	DDGD	
CCCC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H]1CC1(C)C	841620737	KWZWBYRDLPOJFT-QWRGUYRKSA-N	315.439	1.675	50	20	DDGD	
C[C@H]1CC(=NNC(=O)CSc2ccccc2[N+](=O)[O-])CO1	842568161	JAKUPWDAININCK-VIFPVBQESA-N	309.347	1.968	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCC2(N(C)C)CC2)cc1	922986917	MGMXSSQPQXVMTG-UHFFFAOYSA-N	320.393	1.122	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CSc2cccc[n+]2[O-])c1	748911034	FODHATKDLWVDAN-UHFFFAOYSA-N	323.349	1.703	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H](C#N)CC)cc1	845089300	WTLNGHZNZWFGDW-NWDGAFQWSA-N	319.361	1.550	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1C[C@H]1c1cccc(O)c1	843964724	GTWJQZNCVSQKKI-NZPIUUIZSA-N	304.346	1.068	50	20	DDGD	
COC[C@]1(CNC(=O)[C@@H](Br)C(C)(C)C)CCCN1	843477432	MMPQCVZZLAHEFB-ZWNOBZJWSA-N	321.259	1.681	50	20	DDGD	
C[C@H]1Cc2cc(CNC(=O)NNC(=O)C(C)(C)C)ccc2O1	926450548	OIFJHXUQUOKCDT-JTQLQIEISA-N	305.378	1.887	50	20	DDGD	
Cc1cccc(O[C@@H](C)C(=O)NN=Cc2cncn2C)c1C	755550256	GGLIAPOHSIIPCX-ZDUSSCGKSA-N	300.362	1.955	50	20	DDGD	
COC(=O)C[C@H]1COCCN1C[C@@H](CBr)C1CC1	859304515	DYLQZZKNMXAYRP-NEPJUHHUSA-N	320.227	1.671	50	20	DDGD	
CCn1nccc1C=NNC(=O)c1nnc(-c2ccccc2)o1	753698694	WYGZEYJYWVVWDN-UHFFFAOYSA-N	310.317	1.717	50	20	DDGD	
CC(CC1CC1)=NNC(=O)c1csc(N2CCOCC2)n1	756823271	IOUBHQSVNKKZLV-UHFFFAOYSA-N	308.407	1.886	50	20	DDGD	
CO[C@H]1COCC[C@H]1CNC(=O)NNc1ccc(C)c(F)c1	854106615	ZUQUHNKSNKLLOS-FZMZJTMJSA-N	311.357	1.812	50	20	DDGD	
CCNC(=O)NN=Cc1ccccc1OCC(=O)N1CCCC1	920827661	OKWXNLSRWKZOQM-UHFFFAOYSA-N	318.377	1.341	50	20	DDGD	
C[C@@]1(CNC(=O)NCC2(C(=O)O)CCC2)C[C@@H]1Br	857101268	VHGDYANCKHGLIK-KWQFWETISA-N	319.199	1.714	50	20	DDGD	
COCCOCCCCNC(=O)NNC(=O)c1ccccc1C	750327514	RWHAKPSLGSYNLK-UHFFFAOYSA-N	323.393	1.382	50	20	DDGD	
CCCN(NC(=O)c1ccn2nnnc2c1)C(=O)OC(C)(C)C	854433301	ZLYNNJASXLQVHY-UHFFFAOYSA-N	320.353	1.416	50	20	DDGD	
C[C@@H](CC(=O)NNC(=O)c1cccc(Cl)n1)c1cnn(C)c1	857324034	AKRSWANQFGCJHF-VIFPVBQESA-N	321.768	1.423	50	20	DDGD	
COc1cccc(NNC(=O)c2nc3cnccc3s2)n1	857483423	WYIXZYPBUUAQNW-UHFFFAOYSA-N	301.331	1.852	50	20	DDGD	
CC(C)Nc1ncccc1C(=O)NNC(=S)NCC1CCC1	855091547	UYLBLXSGVHSYCP-UHFFFAOYSA-N	321.450	1.811	50	20	DDGD	
O=C1CCC(C(=O)OC[C@H](CBr)C2CC2)=NN1	859441834	DSDSJWPDTQEXJU-QMMMGPOBSA-N	303.156	1.217	50	20	DDGD	
CNS(=O)(=O)c1cc(C(=O)NN(C)c2ccccc2)c(C)o1	751361468	WOBSDRCUUMKIPA-UHFFFAOYSA-N	323.374	1.277	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)[C@]1(C)CCOc2ccccc21	929435800	PHHYXVDAOJEQED-QGZVFWFLSA-N	313.357	1.527	50	20	DDGD	
C[C@H](NC(=S)NNC(=O)c1cc2n(n1)CCCC2)C1CC1	855096440	WGJZQTPTJDIIFJ-VIFPVBQESA-N	307.423	1.127	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H](C2CCC2)C1)c1cccc(F)n1	852711075	CPUWXEXJXFFTLZ-NSHDSACASA-N	306.341	1.697	50	20	DDGD	
CC(C)CC(=O)NNC(=O)NC[C@H]1CCCN1CC(F)(F)F	926515197	UHFSKYMUJHSDAT-SNVBAGLBSA-N	324.347	1.390	50	20	DDGD	
O=C(NC[C@@H]1CCC2(CCCCC2)O1)NNC(=O)c1cn[nH]c1	858388930	LRHVZHVCHXUJDI-LBPRGKRZSA-N	321.381	1.236	50	20	DDGD	
CC(C)c1ccc(C(=O)NNC(=O)CN2CCCC2=O)cc1	920825972	GZTWHTHMSVFYNR-UHFFFAOYSA-N	303.362	1.193	50	20	DDGD	
CNC[C@@H](C)NC(=O)NNC(=O)CSc1ccc(C)cc1	851682060	TXIVBECXVHTOHU-LLVKDONJSA-N	310.423	1.025	50	20	DDGD	
C=CCOc1cccc(C=NNC(=O)C(=O)Nc2ccccn2)c1	758387801	RPFKUQKTSQYSOZ-UHFFFAOYSA-N	324.340	1.735	50	20	DDGD	
CNC(=O)NN=Cc1cn(-c2ccc(Cl)cc2Cl)nn1	755665133	SKNLZCCFXKYEIU-UHFFFAOYSA-N	313.148	1.837	50	20	DDGD	
Cc1ccc2c(c1)CN(CC(=O)NNC(=O)C(C)(C)C)CC2	852403315	BUQJLCOYSCSNCI-UHFFFAOYSA-N	303.406	1.547	50	20	DDGD	
C[C@]1(CNc2ncc([N+](=O)[O-])c(N)n2)C[C@@H]1Br	856784718	AUUVFTKXPSXDGT-IMTBSYHQSA-N	302.132	1.552	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)c1cc2nn[nH]c2cc1F	753778961	HEMSKJIYJHGEQW-UHFFFAOYSA-N	313.292	1.480	50	20	DDGD	
Cc1cccc2nc(/C(C#N)=C\c3cn(CC(=O)O)nn3)[nH]c12	759085706	XDNZKHXSOCVRKL-YHYXMXQVSA-N	308.301	1.612	50	20	DDGD	
CO[C@H](CNC(=O)NNc1ncc(Cl)cn1)C1CCCC1	856921873	FSGUBGQLTVVBML-LLVKDONJSA-N	313.789	1.961	50	20	DDGD	
Cc1nc2cc(O)nn2c(C)c1CC(=O)NCCCSC#N	854362473	OUJQDDDCDCNNOP-UHFFFAOYSA-N	319.390	1.315	50	20	DDGD	
C[C@]1(CNC(=O)COC[C@@H]2CCCO2)C[C@H]1Br	857400968	KCXBHBPZMGEIIY-HOSYDEDBSA-N	306.200	1.472	50	20	DDGD	
COC(=O)N[C@H](C(=O)NC[C@@]1(C)C[C@H]1Br)C(C)C	857396266	ADTHTOAXAIPOPQ-VDDIYKPWSA-N	321.215	1.657	50	20	DDGD	
CCNC(=O)NNC(=O)c1[nH]c(-c2cccc(C)c2)nc1C	756948315	YUYLXXFXQDJWTF-UHFFFAOYSA-N	301.350	1.657	50	20	DDGD	
C[C@H](N)[C@@H]1CCN(C(=O)NC[C@]2(C)C[C@@H]2Br)C1	857105555	NHQOWIMJUFWJCK-WYFGTUCQSA-N	304.232	1.539	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNC(=O)CCCc1ccccc1	931782632	MPYCBGVTNYYGNS-ZIAGYGMSSA-N	318.373	1.356	50	20	DDGD	
Cc1ccc([C@@H](C)[C@@H](O)C(=O)NNC(=O)NC2CCCC2)cc1	764908245	HDIRRUCCDFCZDN-IUODEOHRSA-N	319.405	1.732	50	20	DDGD	
CC[C@@H](C#N)Oc1cccc(CNCc2ccc(B(O)O)cc2)c1	863888783	WBFHVZGJXJODFL-KRWDZBQOSA-N	324.189	1.337	50	20	DDGD	
Cc1cccc(CO[C@H](C)C(=O)NNC(=O)c2ncccn2)c1	868893894	KPNSOSZTCAOMMR-GFCCVEGCSA-N	314.345	1.151	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cc(F)ccc1N(C)C	932237270	DENWQTUKSVNZGP-UHFFFAOYSA-N	306.341	1.848	50	20	DDGD	
Cc1nn(C)c(C)c1C=NNC(=O)c1ccc2c(c1)OCCO2	767487850	MTCSWPHTWWHIAO-UHFFFAOYSA-N	314.345	1.572	50	20	DDGD	
COc1ccc(NNC(=O)[C@H]2CCCN2C(C)C)c([N+](=O)[O-])c1	934912031	HBDRAISKKFXQHN-CYBMUJFWSA-N	322.365	1.919	50	20	DDGD	
CC(C)[C@H](NC=O)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	860326070	RYICYLZQBVFBTC-NSHDSACASA-N	314.729	1.462	50	20	DDGD	
O=C1CC[C@@H](C(=O)NN=Cc2cccc(OC3CC3)c2F)N1	863150810	BZGPSZPQAWLRPN-NSHDSACASA-N	305.309	1.096	50	20	DDGD	
CCO[C@H](C(=O)NNc1ncc(Br)cn1)C1CC1	862145162	NDLGPJYVFXHRFA-VIFPVBQESA-N	315.171	1.497	50	20	DDGD	
COCCOCC(=O)NNC(=O)c1ccc(C(F)F)cc1F	869903556	VZKJARSRIBOORU-UHFFFAOYSA-N	320.267	1.187	50	20	DDGD	
COC[C@@H](NC(=O)CCCC[C@@H]1CCSS1)C(N)=O	760085348	WZTPRPGXUNGRPT-NXEZZACHSA-N	306.453	1.317	50	20	DDGD	
CC(C)[C@H](CNCc1ccccc1B(O)O)C(=O)OC(C)(C)C	863889817	JFVVRZRDVDCWGZ-AWEZNQCLSA-N	321.226	1.070	50	20	DDGD	
Cc1cc(CC(=O)NNC(=O)[C@@H]2C[C@]23CCc2ccccc23)n[nH]1	869013888	JLXQBZXBVGCUNF-YJBOKZPZSA-N	324.384	1.312	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1cccc([N+](=O)[O-])c1C	863148678	HWQHZAXCQWIOIO-NSHDSACASA-N	304.306	1.022	50	20	DDGD	
CC(=O)c1ccc(C(=O)NNC(=S)Nc2ccccn2)s1	768581279	NTRUYZFPXFLKOE-UHFFFAOYSA-N	320.399	1.977	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1ccc(O)c(F)c1	768042523	XFGIVJGJPSCBQG-UHFFFAOYSA-N	306.268	1.674	50	20	DDGD	
CCn1c(C)cc(C(=O)NNC(=O)Cc2cc(C)[nH]n2)c1C	869013343	WXNOYEVCWMNAES-UHFFFAOYSA-N	303.366	1.160	50	20	DDGD	
COc1c(F)cc(NCc2ccc(B(O)O)cc2)c(OC)c1F	864038518	RRMVXWLEZUMQHM-UHFFFAOYSA-N	323.104	1.274	50	20	DDGD	
O=C(NNc1nc[nH]n1)C1CC(O)(c2cccc(Cl)c2)C1	863916843	LLRQVIVGDCRUDW-UHFFFAOYSA-N	307.741	1.199	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2cc(Cl)c3c(c2)OCCO3)n[nH]1	764793658	RLAMUTZYFJJURO-UHFFFAOYSA-N	320.736	1.907	50	20	DDGD	
CN1CCCC[C@H](C(=O)NNc2nccc3sccc23)C1=O	878857151	SAAYZXROMAXIOV-LLVKDONJSA-N	318.402	1.998	50	20	DDGD	
Cc1ccccc1CC(=O)NNc1nc(O)c2cnn(C)c2n1	770978943	BKXOVCDVRMHNJB-UHFFFAOYSA-N	312.333	1.063	50	20	DDGD	
CS[C@@H](C)CC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	772214770	SXOBTWIGMDZGKG-VHSXEESVSA-N	304.412	1.253	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1ncoc1[C@@H]1CCCO1	1118775961	MWPRCYALHQCYFS-JTQLQIEISA-N	324.406	1.435	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C/c1ccccc1	771892957	ZTQXICIQXRPVEH-WTNCMQEWSA-N	318.373	1.825	50	20	DDGD	
COC(=O)[C@H](NNC(=O)CC(C)(C)C)c1cccc(OC)c1	871871587	AKNCOOJMBJDURK-CQSZACIVSA-N	308.378	1.966	50	20	DDGD	
CCSCc1cc(C(=O)NNC(=O)c2ccccn2)no1	770201939	HPXPLPORSQGTAR-UHFFFAOYSA-N	306.347	1.398	50	20	DDGD	
CCO[C@@H](CC)C(=O)NNC(=S)Nc1ccccc1OC	873767272	CFUXGLJQSYPTAX-NSHDSACASA-N	311.407	1.828	50	20	DDGD	
COC(=O)N(C)NC(=O)N[C@H](CC(=O)N(C)C)c1ccccc1	875146595	DMCZSXSMBSJEFZ-GFCCVEGCSA-N	322.365	1.118	50	20	DDGD	
COc1cc(C=NNC(=O)[C@H](C)CN2CCOCC2)ccc1C	773024459	KYWUQXQKUCFXQK-CQSZACIVSA-N	319.405	1.422	50	20	DDGD	
CC(C)CO[C@@H](C)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	772019590	HKUQERAOLIISOG-NEPJUHHUSA-N	316.398	1.173	50	20	DDGD	
COc1ccnc(NNC(=O)C(=O)Nc2ccc(C)c(F)c2)n1	773729887	BYZMSGRSTVVMDV-UHFFFAOYSA-N	319.296	1.015	50	20	DDGD	
CS[C@H](C)CCC(=O)NNc1nc2ccccc2c(=O)n1C	773379260	PWDFQDHDQQNFCN-SNVBAGLBSA-N	320.418	1.908	50	20	DDGD	
N#C[C@H](CCc1ccccc1)C(=O)NNC(=O)[C@H]1CCCCO1	1117821494	VZFWILSSRAHFFB-LSDHHAIUSA-N	315.373	1.475	50	20	DDGD	
CCOC(C)(C)C(=O)NNC(=O)CNc1ccc(C)cc1C	878038841	HYHOCXYBRIVSLR-UHFFFAOYSA-N	307.394	1.678	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(c2ccccc2)CC1	771868254	RCQUSIZFLLFHLE-LLVKDONJSA-N	304.346	1.207	50	20	DDGD	
Cc1cccc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)c1N	771903696	VZCPIJPDBPNFOA-NSHDSACASA-N	321.377	1.316	50	20	DDGD	
CN(C)c1nccc(CNC(=O)NNc2c(F)cccc2F)n1	776067935	FBLKHEQTPLURAW-UHFFFAOYSA-N	322.319	1.647	50	20	DDGD	
COCCO[C@@H]1C[C@@H](CO)CN(C[C@@H](C)CBr)C1	773966549	YGZZPCNTIWFPDX-YNEHKIRRSA-N	324.259	1.363	50	20	DDGD	
Cn1nc(-c2ccccc2)c(C=NNC(=O)C(C)(C)O)c1Cl	785460958	HVBPYXSABPGTJG-UHFFFAOYSA-N	320.780	1.962	50	20	DDGD	
CC(C)N1C(=O)C[C@H](NC(=O)C2CCC(Cl)CC2)C1=O	1123731599	HTCNSLWEDNGERO-ILDUYXDCSA-N	300.786	1.436	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N[C@@]1(C)CCO[C@H]1C1CC1	784595811	RRYPYFQLILXHNW-PJODQICGSA-N	311.426	1.116	50	20	DDGD	
CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)CCCCl	881956132	OYOYYRWEUMSFSO-UHFFFAOYSA-N	318.826	1.910	50	20	DDGD	
Cn1cc(C(=O)NN=C2CCCOc3cc(F)ccc32)cn1	781594759	SYQJRNDZDPVFGM-UHFFFAOYSA-N	302.309	1.866	50	20	DDGD	
O=C(Cc1cccc(C(F)F)c1)NNC(=O)C1CCOCC1	883069573	NWRMIVWHHFMZPK-UHFFFAOYSA-N	312.316	1.741	50	20	DDGD	
CC(C)n1cc([C@H](C)NS(=O)(=O)CBr)cn1	782437420	KYHAKPHKJAGRPB-QMMMGPOBSA-N	310.217	1.797	50	20	DDGD	
CSC1(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)CC1	788685591	QSEJFIUPFJLYBZ-UHFFFAOYSA-N	303.387	1.753	50	20	DDGD	
COc1ncccc1NC(=O)C(=O)NN(C)c1ccccc1	783434451	NZGLKCSVBYTSTG-UHFFFAOYSA-N	300.318	1.196	50	20	DDGD	
C[C@@H](NNC(=O)c1cc([C@H]2CCCN2C)[nH]n1)C(F)(F)F	897881297	RHZQRZPFQRYXGQ-GMSGAONNSA-N	305.304	1.362	50	20	DDGD	
O=C(Cc1ccc2c(c1)NC(=O)C2)NNC(=O)C1CCCC1	783897383	VUPAFKGBZPVOEK-UHFFFAOYSA-N	301.346	1.061	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@@H](O)C1CCCCC1	783594104	AMTXUQJUMFGXAL-INIZCTEOSA-N	304.390	1.708	50	20	DDGD	
CCCCOc1ccc(C(=O)NN(C)C(=O)NCC)c(O)c1	789844742	DZQYHBXYDSBHEG-UHFFFAOYSA-N	309.366	1.877	50	20	DDGD	
CCn1cc(CC(=O)NNC(=O)CCCc2ccccc2)cn1	780583923	VXJAIFKYNIQPAS-UHFFFAOYSA-N	314.389	1.616	50	20	DDGD	
COc1ccccc1NC(=O)C(=O)NNc1cc(C)nc(C)n1	783326263	VLMGHZSJZLUCIA-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
O=C(NN=CC[C@H]1CCCCC12OCCO2)c1cnccn1	788709461	KPIKHOWCENWDDE-GFCCVEGCSA-N	304.350	1.516	50	20	DDGD	
COc1ccccc1CONC(=O)NNc1cncc(Cl)n1	798540013	YGPNHTCXJLKNFR-UHFFFAOYSA-N	323.740	1.897	50	20	DDGD	
CNc1ccc(C(=O)NNC(=O)NCCc2cccs2)cn1	795589478	ZBTXNHAGAVWGFL-UHFFFAOYSA-N	319.390	1.372	50	20	DDGD	
COc1ccc(Cl)cc1C=NNC(=O)N1CCN(C)CC1	790173224	FZQLBUGWRVQGHK-UHFFFAOYSA-N	310.785	1.640	50	20	DDGD	
CCC(=O)NNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F	799257357	JSEGHVMQOCBAON-UHFFFAOYSA-N	322.123	1.628	50	20	DDGD	
Cc1cc(CNC(=O)NNc2ncnc3ccsc23)n(C)n1	790867719	RHBUPAGRMMCFGE-UHFFFAOYSA-N	317.378	1.560	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)CC(C)(C)C)c(-c2ccoc2)n1	790647466	SELGYFMOCNDQKV-UHFFFAOYSA-N	304.350	1.877	50	20	DDGD	
C=C[C@@H](NNC(=O)[C@H](C)Oc1ccc(OCC)cc1)C(=O)OC	799976741	VKWBMJWEMDLRGJ-SMDDNHRTSA-N	322.361	1.201	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)Cc1cccc(C)c1	790063544	LULIROJCGVBIDO-UHFFFAOYSA-N	308.378	1.474	50	20	DDGD	
Cc1cccnc1NNC(=O)NC1CCN(C(=O)C2CC2)CC1	791013692	WAOWGVCLSZFIFX-UHFFFAOYSA-N	317.393	1.417	50	20	DDGD	
Cc1cccnc1NNC(=O)c1ccccc1N1CCOCC1	791216912	IYODKZOCNMNOAA-UHFFFAOYSA-N	312.373	1.984	50	20	DDGD	
Cc1cccnc1NNC(=O)C(=O)Nc1c(C)cccc1F	792377774	DBVIMQCBLKVACA-UHFFFAOYSA-N	302.309	1.919	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1cncn1-c1ccccc1)n1cccn1	1317938767	BNCVTBOQYYKUPO-LBPRGKRZSA-N	324.344	1.091	50	20	DDGD	
N#Cc1ccccc1OCC(=O)NN=Cc1cccc2cn[nH]c12	1318734434	IFYDVQVSSITBKF-UHFFFAOYSA-N	319.324	1.964	50	20	DDGD	
CC(C)Oc1cc(CNS(=O)(=O)CBr)ccn1	272791574	JHOQGUBSPCIHCU-UHFFFAOYSA-N	323.212	1.641	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1	1321016385	OMOUIHBCDVQHBO-ZDUSSCGKSA-N	315.402	1.144	50	20	DDGD	
CCOC(=O)c1ncc(C(=O)NNc2ncccc2C)s1	1323795582	VXPAZOCNVCWKDS-UHFFFAOYSA-N	306.347	1.780	50	20	DDGD	
O=C(NNC(=O)N[C@@H]1C=CCCC1)Nc1ccc2c(c1)OCO2	1328122138	OZFXXSQXNCCBEN-SNVBAGLBSA-N	318.333	1.860	50	20	DDGD	
O=C(COCc1ccncc1)NNC(=O)c1ccccc1F	1323604036	ZGKCKPRHAPUUQZ-UHFFFAOYSA-N	303.293	1.199	50	20	DDGD	
CCOC[C@@H](NC(=O)NNC(=O)c1ccc(OC)cc1)C(C)C	1320992439	KMLNPVVXAMSCDU-CQSZACIVSA-N	323.393	1.700	50	20	DDGD	
O=C(NNC(=O)N1CCSC2(CCCCC2)C1)c1cn[nH]c1	1328732108	XKXYOMXKNMWRAQ-UHFFFAOYSA-N	323.422	1.516	50	20	DDGD	
CN1CCCC[C@@H](C(=O)NNC(=O)c2ccccc2Cl)C1=O	1332321798	OFLVDMCSHOYGQK-NSHDSACASA-N	323.780	1.360	50	20	DDGD	
CNc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)CC(C)(C)C	1338526526	CEIHIDMAERVZAM-UHFFFAOYSA-N	308.338	1.834	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)C2(Oc3ccccc3)CC2)n1	1331164681	IXEIGOBARDJXRC-UHFFFAOYSA-N	319.752	1.767	50	20	DDGD	
C[C@]1(CNC(=O)[C@H](N)Cc2ccccc2)C[C@@H]1Br	1331344449	MNQGUDNQDCGNKW-MBNYWOFBSA-N	311.223	1.846	50	20	DDGD	
CC(C)NC(=S)NNC(=O)Cc1ccc2c(c1)CCCO2	1349444093	PXVNYCVAQNDHLM-UHFFFAOYSA-N	307.419	1.458	50	20	DDGD	
CC(C)NC(=S)NNC(=O)[C@]1(C)CC(c2ccccc2)=NO1	1348913306	KIYZDLYVHJBOSN-HNNXBMFYSA-N	320.418	1.473	50	20	DDGD	
O=C(c1cccc(CCl)c1)N1CCC[C@@H](c2nn[nH]n2)C1	1358074411	OBCHGSMSLHWRNG-GFCCVEGCSA-N	305.769	1.958	50	20	DDGD	
O=C(NCCOC[C@@H]1CCOC1)NNc1cccc(C(=O)O)c1	1601505387	KARLMRPTCWTFRQ-LLVKDONJSA-N	323.349	1.064	50	20	DDGD	
O=C(O)c1c(F)cccc1NNC(=O)c1csc2cncn12	1608828534	KFIHSSNLERVYBG-UHFFFAOYSA-N	320.305	1.990	50	20	DDGD	
Cc1c(NNC(=O)C[C@@H]2CCC(=O)N2C)cccc1C(=O)O	1600052330	HWDUGFUWQNIJPW-JTQLQIEISA-N	305.334	1.147	50	20	DDGD	
Cc1nnccc1NC(=O)NNc1ccc(C(=O)O)cc1F	1608017690	IVQGTGNFHALTCP-UHFFFAOYSA-N	305.269	1.771	50	20	DDGD	
O=C(NNC(=O)C12CCC(C(=O)O)(CC1)C2)NC1CCCCC1	1601553367	FAOKKWCZYOJNBK-UHFFFAOYSA-N	323.393	1.685	50	20	DDGD	
CC(C)(C)[C@@H](O)C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1603062967	ZHSLMBPCSWAAQL-JTQLQIEISA-N	324.772	1.370	50	20	DDGD	
Cc1c(NNC(=O)c2nccn3ccnc23)cccc1C(=O)O	1600055288	RYPFWCIHJSVISE-UHFFFAOYSA-N	311.301	1.493	50	20	DDGD	
Cc1c(/C=C(/C#N)C(=O)NCc2ccccc2)c(C(=O)O)nn1C	1600009804	RUVIWFMOUIOOBW-JYRVWZFOSA-N	324.340	1.650	50	20	DDGD	
CC(C)[C@@H]1C[C@H]1CNC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1603386309	PBKWZPQJKVMLCY-QWRGUYRKSA-N	316.369	1.180	50	20	DDGD	
Cc1cc(-c2nn[nH]n2)cc(C)c1CC(=O)N1CC=C(C#N)CC1	1605514863	FSXCFVMRAQCHAG-UHFFFAOYSA-N	322.372	1.708	50	20	DDGD	
Cc1cn(C(C)(C)C(=O)NNc2cccc(C(=O)O)c2)cn1	1607901498	PTIUIIBIVOFKDH-UHFFFAOYSA-N	302.334	1.768	50	20	DDGD	
C[C@@H]1CCn2ncc(C(=O)NNc3ncccc3C(=O)O)c2C1	1603438900	GRJRQFDMPUDMME-SECBINFHSA-N	315.333	1.316	50	20	DDGD	
COc1ccc(NNC(=O)c2[nH]c(C)c(C(=O)O)c2C)nc1	1607277381	SWFCPBDBHLSTDU-UHFFFAOYSA-N	304.306	1.490	50	20	DDGD	
COCc1csc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)c1	1549314829	MQDYXBVCFXYQAG-GXTWGEPZSA-N	323.418	1.208	50	20	DDGD	
O=C(O)CCC(=O)NNc1ccc(F)cc1Br	1611416683	VPPYCXXVVXJYRJ-UHFFFAOYSA-N	305.103	1.896	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2CC[C@H]2C(=O)O)c1	1574397650	XSASECKFGBIHAK-WDEREUQCSA-N	307.375	1.423	50	20	DDGD	
O=C(CCc1ccccc1)NNC(=O)[C@@H]1CNc2ccccc21	1580544220	FIQMCPDCMOFETI-OAHLLOKOSA-N	309.369	1.976	50	20	DDGD	
CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](CC)NC)C2	1845164747	ZGFMNTLGFCMFQV-NWDGAFQWSA-N	315.845	1.205	50	20	DDGD	
C=CCSCC(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1	1843362445	VPHAXRYWAMLPOT-NSHDSACASA-N	320.817	1.643	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cc(C(=O)O)cnc1Cl	1594866128	JELIMZGCZVYVLC-LURJTMIESA-N	314.729	1.632	50	20	DDGD	
C[C@@]1(CNc2ccc(-c3nn[nH]n3)nn2)C[C@H]1Br	1590135240	JKTJOYGHJPXSII-XCBNKYQSSA-N	310.159	1.242	50	20	DDGD	
O=C(O)[C@@H]1CC[C@H]1C(=O)NNc1nc2ccccc2[nH]c1=S	1595182431	RRVKGAQYPARRTF-HTQZYQBOSA-N	318.358	1.846	50	20	DDGD	
C/C=C(\CC)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	1590350268	PQPCDTVBRXILBD-VMPITWQZSA-N	305.342	1.778	50	20	DDGD	
O=C(O)c1cnc(C(=O)NNc2ccc(Cl)c(F)c2)cn1	1595266978	VSYDNGULAHCSQW-UHFFFAOYSA-N	310.672	1.724	50	20	DDGD	
COCCNC(=O)/C(C#N)=C/c1cc(F)c(C(=O)O)cc1F	1776118142	UJPZMFYPMHABCX-RUDMXATFSA-N	310.256	1.333	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNC(=O)c2ccncc2)cc1	15273349	MMSPUZATOCEEQI-UHFFFAOYSA-N	311.341	1.814	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1ccc2c(c1)CCC(=O)N2C	160321919	XMDXYWWWFNPCKV-UHFFFAOYSA-N	318.377	1.340	50	20	DDGD	
Cc1cnccc1CCNC(=O)NNC(=O)c1cccc(C#N)c1	164111519	DMFURMGNHCXZLT-UHFFFAOYSA-N	323.356	1.448	50	20	DDGD	
Cn1c(C(=O)NNc2ccc(OC(F)F)cc2)cccc1=O	152708197	MWDZSWPJZVXFPQ-UHFFFAOYSA-N	309.272	1.744	50	20	DDGD	
CS(=O)(=O)CC1(CC(=O)NNc2cccc(C#N)c2)CC1	152360968	OTISKNWFNYUURA-UHFFFAOYSA-N	307.375	1.216	50	20	DDGD	
N#Cc1ccc(NNC(=O)[C@@H]2CCCN2C2CCOCC2)cc1	155645637	QLDVKPCPDJZTFH-INIZCTEOSA-N	314.389	1.645	50	20	DDGD	
Cc1cc2ccccc2n1CC(=O)NNc1ncnc2nc[nH]c12	156333453	OJIMVIQDHCECQW-UHFFFAOYSA-N	321.344	1.759	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc3ccccc3cc2O)O1	159570723	IRWJAUGMCVHBIH-BONVTDFDSA-N	314.341	1.874	50	20	DDGD	
O=c1ccc(NS(=O)(=O)c2ccc(CCCl)cc2)n[nH]1	227890335	LVERYFRTDPFLAE-UHFFFAOYSA-N	313.766	1.352	50	20	DDGD	
O=S(=O)(NCCn1ccnc1)c1ccc(CCCl)cc1	41066501	YWZHKQDLRYKQDF-UHFFFAOYSA-N	313.810	1.643	50	20	DDGD	
COCC(=O)NN=C1CCN(C(=O)OCc2ccccc2)C1	842526689	BEMKJAYZMMLDCG-UHFFFAOYSA-N	305.334	1.148	50	20	DDGD	
Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccc(C)n1C	53372323	YLBLZPCLYGCZGE-UHFFFAOYSA-N	311.345	1.364	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@H](C)C(=O)OC)cc1	171081726	JHFZTXQYFQVCRF-IGVUGNCQSA-N	316.357	1.918	50	20	DDGD	
CCOC(=O)NNC(=O)c1cc(F)cc(Br)c1	58953249	PXFLYUXXFGHTBX-UHFFFAOYSA-N	305.103	1.979	50	20	DDGD	
CSc1nc(C)c(CCC(=O)NNc2cnccn2)c(C)n1	114878744	SDSLBFUKIPJQCU-UHFFFAOYSA-N	318.406	1.681	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)c1cccc(OC2CCCC2)c1	108776601	PGCDMGYNEWVDQL-HNNXBMFYSA-N	318.373	1.948	50	20	DDGD	
NC(=O)NC(=O)COC(=O)CCCC[C@H]1CCSS1	22207536	WHUHEPRNCIJSOX-QMMMGPOBSA-N	306.409	1.439	50	20	DDGD	
COc1cccc(NNC(=O)Cc2cc3ccccc3[nH]c2=O)n1	180732805	VWPVXGXBAHBJGF-UHFFFAOYSA-N	324.340	1.618	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=C2CCN(C(C)(C)C)CC2)n1	60800542	QXZAFXRFXDVPNE-UHFFFAOYSA-N	305.426	1.866	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)NC1CC(c2ccccc2)C1	77533755	NCYPCSGCGYTNGM-RUXDESIVSA-N	303.362	1.442	50	20	DDGD	
Cc1cc(F)ccc1NNC(=O)[C@H](C)NC(=O)c1ccoc1	119037165	UBJBDDBNGUYUHN-JTQLQIEISA-N	305.309	1.989	50	20	DDGD	
CCN(CC)Cc1ccc(C(=O)NNC(=O)C2[C@@H]3CCC[C@@H]23)o1	178154683	MMDXLSAVYWNOKO-CHWSQXEVSA-N	319.405	1.929	50	20	DDGD	
CC[C@@H]1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)C1	125286384	SBJOCSYXFXEQEP-GFCCVEGCSA-N	300.362	1.051	50	20	DDGD	
COCCCNC(=O)NNC(=O)CSc1ccc(F)cc1	65208018	YSFZUKUHGYJJHE-UHFFFAOYSA-N	315.370	1.285	50	20	DDGD	
O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc([N+](=O)[O-])c1	302857840	QZHIBJJMSQFBHL-OUJBWJOFSA-N	303.318	1.792	50	20	DDGD	
C[C@@H](CNC(=O)NNc1cccnn1)Oc1cccc(F)c1	75110796	KMIGWTSGEGQZCF-JTQLQIEISA-N	305.313	1.709	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cc(-c2ccc(OC)cc2)n[nH]1	122769199	KWFASTQAUUFYOD-UHFFFAOYSA-N	317.349	1.439	50	20	DDGD	
COc1c(F)cc(NC(=O)NNC(=O)c2ccncc2)cc1F	184511070	JJAVMXGFPOXLCQ-UHFFFAOYSA-N	322.271	1.835	50	20	DDGD	
CN(NC(=O)CCc1ccccc1Br)C(N)=O	181078163	VWOHKGHXCOTVRG-UHFFFAOYSA-N	300.156	1.423	50	20	DDGD	
C=CCCCC(=O)NNc1c(OC)cccc1S(C)(=O)=O	186069853	YPNPCFHNNADPOX-UHFFFAOYSA-N	312.391	1.898	50	20	DDGD	
O=C(Cc1cc[nH]n1)NNC(=O)Nc1cccc(OCCF)c1	186622433	OGZGUUFMEXOGFA-UHFFFAOYSA-N	321.312	1.153	50	20	DDGD	
COc1ccc2c(c1)C[C@@H](C(=O)NNc1ccnc(F)c1)CO2	182451416	AEIUXGUDRZCWKE-LLVKDONJSA-N	317.320	1.924	50	20	DDGD	
O=C(NNc1ccccn1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1	181258810	SFOOVSLKBMQXOJ-UHFFFAOYSA-N	324.300	1.932	50	20	DDGD	
O=C(CN1CCC[C@H]2CCC[C@@H]21)NNC(=O)c1ccccc1	182353404	LFUYHZVKUOUHBE-HIFRSBDPSA-N	301.390	1.712	50	20	DDGD	
CCn1cc(NC(=O)NNc2cccc(OC)n2)ccc1=O	181288314	GNEQQUNYJYXGEQ-UHFFFAOYSA-N	303.322	1.420	50	20	DDGD	
Cc1ncccc1C(=O)NNc1cccc(S(C)(=O)=O)c1	181113845	ONGLPWYSIJWZOJ-UHFFFAOYSA-N	305.359	1.550	50	20	DDGD	
CO[C@H](C)CCC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	182969953	BKAJQHOVTMKMTG-MNOVXSKESA-N	312.341	1.556	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)N[C@@H](COC)C1CC1)c1ccccc1	126810686	RZUZNCYWLNTKTC-GJZGRUSLSA-N	319.405	1.936	50	20	DDGD	
COCCCOc1ccc(C(=O)NNc2ccccn2)cn1	181202278	FUFOJATYISBNQG-UHFFFAOYSA-N	302.334	1.649	50	20	DDGD	
O=C(Cc1cccnc1)NNC(=O)Nc1cc(F)ccc1F	182743602	ORFNSCVBWHGOPZ-UHFFFAOYSA-N	306.272	1.755	50	20	DDGD	
COc1cc(C)sc1C(=O)NNC(=O)Cc1cccnc1	72667325	FWFNYGXSIAZDEW-UHFFFAOYSA-N	305.359	1.464	50	20	DDGD	
CN(NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)C(N)=O	181087009	VXKACSJGRXHPNG-UHFFFAOYSA-N	312.329	1.594	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)c1occc1Br	81568985	CIGBWMKZTVSFHU-UHFFFAOYSA-N	312.123	1.455	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(C)nc2ccccc12	42901439	KPAGTWRSVPONNT-UHFFFAOYSA-N	316.361	1.524	50	20	DDGD	
CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)NN)c1	193441425	CDIDVBBLTVFBNU-UHFFFAOYSA-N	311.407	1.243	50	20	DDGD	
C[C@@H](Oc1ccccc1)C(=O)NNc1nc2ccccc2c(=O)[nH]1	137190337	ISFUFJHCSBLGQQ-LLVKDONJSA-N	324.340	1.834	50	20	DDGD	
CC1=C(C(=O)NNc2ccc(C#N)cc2)[C@H](C)n2ncnc2N1C	192549627	OSGYLYKYXVDEOW-NSHDSACASA-N	323.360	1.578	50	20	DDGD	
O=C(CSC[C@H]1CCCCO1)NNc1nc2ccccn2n1	191910188	BUIODFVGTHRVFP-LLVKDONJSA-N	321.406	1.475	50	20	DDGD	
COc1ccc(C[C@@H](C)C(=O)NNC(=O)c2cnn(C)c2)cc1	135117323	QFHFIUISVQTORC-LLVKDONJSA-N	316.361	1.069	50	20	DDGD	
O=C(CCCc1ccccc1)NNC(=O)c1cnn2ccncc12	193125639	IQTPTFIWIJVBLS-UHFFFAOYSA-N	323.356	1.513	50	20	DDGD	
Cc1onc(-c2ccccn2)c1C(=O)NNC(=O)NC1CC1	268901694	WQHJKVZAXSOOLY-UHFFFAOYSA-N	301.306	1.151	50	20	DDGD	
COCCC1(CNC(=O)NNC(=O)c2ccccc2OC)CC1	269069842	YRSHMWJSMXDMFB-UHFFFAOYSA-N	321.377	1.456	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)NC2CCCC2)cccc1[N+](=O)[O-]	269674754	ZTDQWLVNOBPESV-UHFFFAOYSA-N	320.349	1.719	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCCc1nnc2n1CCCCC2	269567078	LAEMNJBXMFBWFR-VAWYXSNFSA-N	303.366	1.107	50	20	DDGD	
O=C(NNC(=O)c1cc(-n2cccn2)ccn1)NC1CCCC1	265442211	AMNPKTRWBAZFMM-UHFFFAOYSA-N	314.349	1.154	50	20	DDGD	
COC(=O)CSCCC(=O)NNc1cc(F)cc(OC)c1	269627004	TTZQLVUWPHCYCJ-UHFFFAOYSA-N	316.354	1.574	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cc(C(N)=O)n(C)c1	268076947	GVXLVUNXICOGRL-UHFFFAOYSA-N	323.784	1.428	50	20	DDGD	
COC(=O)CCCCCCNC(=O)NNc1ccc(C)nn1	264360347	HKYIHIRNDFCDFZ-UHFFFAOYSA-N	309.370	1.535	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)C1CCN(C)CC1	266169475	DYWNYANUOGSBEO-UHFFFAOYSA-N	312.845	1.905	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CCSC2)cc1	266772442	IUNXLELZKDRXCH-LLVKDONJSA-N	309.391	1.210	50	20	DDGD	
CCC(=O)N1CC[C@H](C(=O)NNc2cccc(C(=O)OC)c2)C1	272850621	SCDKBIQZKSXYIP-LBPRGKRZSA-N	319.361	1.175	50	20	DDGD	
C[C@H](C(=O)NC(=O)NCc1ccccc1)N1CC=C(C#N)CC1	272568154	CRSVYVXCFCEFGE-CYBMUJFWSA-N	312.373	1.557	50	20	DDGD	
CCC[C@H]1CN(C(=O)NNC(=O)c2ccccc2OC)CCO1	270354457	PMKRPIVGVFSVSF-LBPRGKRZSA-N	321.377	1.551	50	20	DDGD	
C[C@H](O)C[C@@H]1CCCCN1CC(=O)NNC(=O)c1ccccc1	279705935	HMBRTZZRIXTXQK-ZFWWWQNUSA-N	319.405	1.073	50	20	DDGD	
CCNC(=O)N(C)NC(=O)C1(c2ccc(C)cc2)CCOCC1	274558204	VZRAXVIBYYKUJC-UHFFFAOYSA-N	319.405	1.736	50	20	DDGD	
CCC(=O)c1ccc(OCCCCC(=O)NNC(=O)NC)cc1	276564477	TZWZYRNSRISFGO-UHFFFAOYSA-N	321.377	1.789	50	20	DDGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@H]1CCOC1	276918863	RNWVTVOWKFMUMF-UWVGGRQHSA-N	312.753	1.291	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)[C@H]1CCCCS1	272976037	TUFHODAOEIYJFJ-SNVBAGLBSA-N	305.363	1.860	50	20	DDGD	
CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NNC(=O)c2ccccc2O)C1(C)C	271962358	ZKTMYGBDHAOZTB-ZWKOPEQDSA-N	321.377	1.396	50	20	DDGD	
Cc1ccnc(NNC(=O)[C@H](C)n2nnnc2C(C)(C)C)c1	273388594	JNFSYSZEFQNEPC-JTQLQIEISA-N	303.370	1.378	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N1CCc2ccc(C(=O)OC)cc2C1	271456837	ZTZRFHXDBYWZIL-RVDMUPIBSA-N	314.341	1.802	50	20	DDGD	
CC(=O)CCc1ccc(OCCC(=O)NN(C)C(N)=O)cc1	272221024	TYLRJFHYJKYRBP-UHFFFAOYSA-N	307.350	1.019	50	20	DDGD	
O=C(NNc1nc(O)c2ccccc2n1)[C@@H]1C[C@]12CCOC2	373420948	FAMNNDSMZZUBOJ-BONVTDFDSA-N	300.318	1.205	50	20	DDGD	
Cc1csc(CC(=O)NNC(=O)CN2CC3CCC2CC3)n1	378381267	KDQCXOKSEKKDAQ-UHFFFAOYSA-N	322.434	1.016	50	20	DDGD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NNc1ccc(-n2ccnc2)nn1	286449193	AAIPRADLVYTYPZ-GHMZBOCLSA-N	314.349	1.111	50	20	DDGD	
CCOC(=O)c1scnc1/C=C(/C#N)S(=O)(=O)CC	280054887	NYMRVIRJYXVRDX-YVMONPNESA-N	300.361	1.619	50	20	DDGD	
C[C@H]1CCC[C@H]1NCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	281910499	CEIKNHGGMFALTM-GXFFZTMASA-N	320.349	1.134	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)N[C@@H]1CCc2c[nH]nc2C1	378497725	OTWMNTXDMFBTGW-SNVBAGLBSA-N	306.757	1.642	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H]2CCOc3ccccc32)n1	373716539	VOCKRYRSQBWHMT-ZDUSSCGKSA-N	311.341	1.717	50	20	DDGD	
CCc1[nH]ccc1C(=O)NNC(=O)[C@H]1COc2ccccc2O1	285026387	OPTZTNMSXTVULR-CQSZACIVSA-N	315.329	1.178	50	20	DDGD	
O=C(NC[C@@H]1CCCO1)NNc1ccc2c(O)nccc2c1	287309816	NZMMYXFUOQKMIA-LBPRGKRZSA-N	302.334	1.746	50	20	DDGD	
CC(C)(C(=O)NNc1nccnc1C1CCC1)S(C)(=O)=O	286938565	JTAIHABEGUIFLH-UHFFFAOYSA-N	312.395	1.010	50	20	DDGD	
CC[C@@H]1CCC[C@@H]1C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	294528050	ZCRSIFRBGATQSX-OCCSQVGLSA-N	317.389	1.907	50	20	DDGD	
CCC[C@H](OC)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	294351728	MATSCHNYXQIUGM-GWCFXTLKSA-N	312.341	1.556	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)c1ccc2c(c1)OC(F)(F)O2	294416828	JJKQKTWJOXKCMC-UHFFFAOYSA-N	300.261	1.815	50	20	DDGD	
CN(NC(=O)c1nc2ccccc2cc1Br)C(N)=O	809743642	YFXIKTGKULOXNV-UHFFFAOYSA-N	323.150	1.653	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNC(=O)N=c2cc[nH]cc2)ccn1	802024980	OEDRFSGCHCTTPE-UHFFFAOYSA-N	315.333	1.152	50	20	DDGD	
CC(C)(C(=O)NNc1nnc[nH]1)c1ccc([N+](=O)[O-])cc1F	298559463	ZDOQWOPTEKCZDN-UHFFFAOYSA-N	308.273	1.273	50	20	DDGD	
Cc1cc(O)nc2cc(C(=O)NNC(=O)c3ccncc3)ccc12	809537948	HFHKUVPCPIEVEO-UHFFFAOYSA-N	322.324	1.719	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2ocnc2C2CC2)c1O	290322188	JRKVAIUSMMYMSJ-UHFFFAOYSA-N	317.301	1.341	50	20	DDGD	
CC(C)(C)c1ncc(C(=O)NNC(=O)c2ccc(C#N)cc2)cn1	806686295	CUTHOEWGPHENCM-UHFFFAOYSA-N	323.356	1.721	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1ccccc1-n1cccn1	292688599	PYJFQAOWYQJBFM-ZDUSSCGKSA-N	315.333	1.204	50	20	DDGD	
COCc1ncc(C(=O)NNC(=S)NC(C)(C)C)s1	803158431	PWPMUUYOLCJLNR-UHFFFAOYSA-N	302.425	1.197	50	20	DDGD	
COc1ccc(NC(=O)NNC(=O)[C@@H]2O[C@H](C)C[C@H]2C)cc1	802056176	ZMFURNYZECPONC-GIPNMCIBSA-N	307.350	1.661	50	20	DDGD	
COC(=O)c1c(F)cccc1NNC(=O)C[C@](C)(O)C1CC1	819716123	NBGWSBDTESGUCT-HNNXBMFYSA-N	310.325	1.607	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Nc2ccnc(Cl)c2C)n[nH]1	810298655	OUUALBMEPZNFOE-UHFFFAOYSA-N	308.729	1.541	50	20	DDGD	
O=C(NCCc1cccs1)NNC(=O)c1cccc(CO)c1	813423895	CLYNSTQEWBUVQV-UHFFFAOYSA-N	319.386	1.427	50	20	DDGD	
CSc1ccc(C=NNC(=O)CNC(=O)c2ccco2)s1	814826479	AGIZTCDKYLJIJJ-UHFFFAOYSA-N	323.399	1.943	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)C[C@H](C)n1cccn1	819535589	XZQGOSAHWJSAJI-LBPRGKRZSA-N	316.361	1.233	50	20	DDGD	
Cn1nncc1NNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1	816771526	QLKMPWNPCDFQGL-ZDUSSCGKSA-N	317.349	1.130	50	20	DDGD	
CN(NC(=O)CNC(=O)c1ccccc1OC(F)F)C1CC1	819641509	YAMIVQDVLUDNFD-UHFFFAOYSA-N	313.304	1.143	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NN=Cc1cnn(C)c1N	814747636	CGVAIRMDHVAUKC-VIFPVBQESA-N	305.313	1.059	50	20	DDGD	
COCCC(C)=NNC(=O)C1CCN(c2ncccn2)CC1	814837234	MWZWPXQZTDGAQV-UHFFFAOYSA-N	305.382	1.222	50	20	DDGD	
O=C(COc1ccccc1[N+](=O)[O-])NNC(=S)NC1CCC1	814190397	ADVKUVYJICPRSK-UHFFFAOYSA-N	324.362	1.021	50	20	DDGD	
CC[C@H](Cc1ccccc1C)C(=O)NNc1nnc(C)c(O)n1	819839894	UILOPZSJUUMTDJ-GFCCVEGCSA-N	315.377	1.906	50	20	DDGD	
CN(C)S(=O)(=O)c1ccc(NNC(=O)[C@H]2C[C@@H]2C2CC2)cc1	812727483	SFCVUFMMTKGWFY-KGLIPLIRSA-N	323.418	1.426	50	20	DDGD	
COC(=O)CCCN1CCC(=NNC(=O)C2CCCC2)CC1	727062020	RNGGOKQQLFVLIX-UHFFFAOYSA-N	309.410	1.698	50	20	DDGD	
CC(C)(CNC(=O)NNc1ncncc1F)N1CCCCC1	814270713	CFIWZWQEJOYLIN-UHFFFAOYSA-N	310.377	1.506	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCSC2)cc1	813373779	HDDAUAPGZAIRSV-NSHDSACASA-N	321.402	1.224	50	20	DDGD	
CCN(CCO)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1	823838454	QOLRJVLTWQGCPA-JTQLQIEISA-N	313.379	1.421	50	20	DDGD	
CCCCNC(=O)/C(C#N)=C\c1ccc(F)c(-c2nn[nH]n2)c1	825285174	LXHIAQJNTMDLRD-XFFZJAGNSA-N	314.324	1.829	50	20	DDGD	
O=C(C[C@@H]1COc2ccccc2O1)NNC(=O)CC(F)(F)F	825505713	RLQWZLJAODLADV-MRVPVSSYSA-N	318.251	1.316	50	20	DDGD	
CS(=O)(=O)c1ccccc1NNC(=O)NOCC1CCC1	824075006	VJRPBQUUEXSYPE-UHFFFAOYSA-N	313.379	1.448	50	20	DDGD	
CC(C)(C)OC(=O)N[C@H]1CC(=NNC(=O)C(C)(C)O)C1(C)C	496544933	CWRRYUYOIKNGCG-VIFPVBQESA-N	313.398	1.553	50	20	DDGD	
COC(=O)N1CCC(=NNC(=O)c2cccc(C#N)c2)CC1	491159896	LAQMNRCVDUCIKR-UHFFFAOYSA-N	300.318	1.506	50	20	DDGD	
COC(=O)[C@@H]1CCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)[C@H]1C	491043623	ABWFTKLSAKLNNS-JZQZCQBLSA-N	314.341	1.709	50	20	DDGD	
CC[C@H](C)NC(=O)[C@H](C)NC(=O)[C@]1(C)C[C@H]1Br	822630574	YBRZUNFCIVHIMA-APOZVJGGSA-N	305.216	1.579	50	20	DDGD	
Cc1cc(NC(=O)NN(C)C2CC2)ccc1N1C(=O)CCC1=O	824186604	YBYUAPLQKZMIQW-UHFFFAOYSA-N	316.361	1.779	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CCc3cc(F)ccc32)nc(N)n1	828376543	PROQNCCNFWWWDE-LBPRGKRZSA-N	301.325	1.679	50	20	DDGD	
CCOC(=O)/C(C#N)=C\N[C@@H](CC(=O)O)c1ccc(OC)cc1	829817159	BKVAJKVXZQKVKF-HCYCVZQXSA-N	318.329	1.771	50	20	DDGD	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)/C=C/[C@@H]1CCOC1	493520134	IELOBDVAFBTQRL-FNSAGKMKSA-N	322.336	1.333	50	20	DDGD	
CC(C)C(=O)NNC(=O)NCCCc1nc2c(s1)CCCC2	727175044	NDGXPUWWKGGRMB-UHFFFAOYSA-N	324.450	1.941	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@H](C)NC(=O)c1ccc(Cl)cc1	726097341	DGJGQXIUOAWWHA-VIFPVBQESA-N	311.769	1.262	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)[C@H]1COc2ccccc2O1	727270213	GUFVEYPSEVTGMD-CYBMUJFWSA-N	321.402	1.122	50	20	DDGD	
CC(C)[C@@H]1N(C(=O)c2ccc(B(O)O)cc2)CC12CCCCC2	584999598	XUHCVWBNTZLOHM-INIZCTEOSA-N	315.222	1.797	50	20	DDGD	
O=C(CC1(O)CCC1)NNc1ccnc(Br)c1	828729403	HKYWIUOMRKZCDE-UHFFFAOYSA-N	300.156	1.592	50	20	DDGD	
CN1C[C@H]2CC[C@H]1[C@H](CNC(=O)/C(C#N)=C/c1cnn(C)c1)C2	909745680	UOJGLCWUNRLUKZ-OCFPJWCCSA-N	313.405	1.174	50	20	DDGD	
CCO/C=C/C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1	493483170	KDBNMMFYZMBJFV-BQYQJAHWSA-N	320.317	1.676	50	20	DDGD	
COc1cc(C(=O)NNC(=O)NC2CC2)c2ccccc2n1	823768440	VIZUUHCDHAWGLY-UHFFFAOYSA-N	300.318	1.350	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1coc(-c2ccccc2Cl)n1	823939984	SLJBPLLIYZLALO-SECBINFHSA-N	309.753	1.952	50	20	DDGD	
O=C1C[C@@H](C(F)(F)F)[C@H](C(=O)NNc2ccccc2F)CN1	821148972	ZHRKKOHJUCUWRB-HTQZYQBOSA-N	319.258	1.583	50	20	DDGD	
C=CC(=O)N(CC)CC(=O)NNc1cccc(F)c1C(=O)OC	908032582	QMCLPKIIOCGZGN-UHFFFAOYSA-N	323.324	1.090	50	20	DDGD	
O=S(=O)(CCl)N1CCN(CCOc2ccccc2)CC1	820780058	OMWJGRYWMKZUPP-UHFFFAOYSA-N	318.826	1.209	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2C[C@@H]2C(=O)O)ccc1Br	738461448	CWCHUAOABNRTQP-IUCAKERBSA-N	313.151	1.921	50	20	DDGD	
COCc1cc(CNC(=O)NNC(=O)C2CCCC2)ccc1F	730906536	BXPISOCXVHEBKJ-UHFFFAOYSA-N	323.368	1.993	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]32)c(F)c1	585050075	QGFRWFBBWIWZMI-BHYGNILZSA-N	315.128	1.073	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccsn2)c1C	822205547	YELOGBUCDHBCHS-LLVKDONJSA-N	319.386	1.988	50	20	DDGD	
CC(C)c1ccccc1NC(=S)NNC(=O)[C@H]1C[C@H]1C(=O)O	736523475	RTJJCWZKJCUXPG-WDEREUQCSA-N	321.402	1.848	50	20	DDGD	
O=C(/C=C/[C@H]1CCOC1)NNC(=O)CCOc1ccccc1	492954887	IRTSETSVMSJBEN-YBJDMEARSA-N	304.346	1.196	50	20	DDGD	
CC/C(=C/C(=O)NNC(=O)Cc1cc[nH]n1)c1ccc(C)cc1	588445508	FVXWJMQDCVKWDX-RAXLEYEMSA-N	312.373	1.902	50	20	DDGD	
Cc1nccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)n1	738887167	IVMXSXINJBTXOR-UHFFFAOYSA-N	303.230	1.611	50	20	DDGD	
O=C(C[C@H]1CCOC1)NNC(=O)Cn1ccc2ccccc21	739555513	KZYDGDRKEMWOIE-GFCCVEGCSA-N	301.346	1.215	50	20	DDGD	
CO[C@@H](C=NNC(=O)c1ccc(O)c(O)c1)C1CCOCC1	834975663	QAMPKMKLVYAHGJ-AWEZNQCLSA-N	308.334	1.255	50	20	DDGD	
CC(=O)N(C)CC(=O)NNc1cc(F)ccc1Br	839881263	MNYOZTHVNAOGHM-UHFFFAOYSA-N	318.146	1.510	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)c2cnn(C)c2)c(OC)c1	735412040	ICZOEIYJGBTOFP-UHFFFAOYSA-N	302.334	1.591	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)/C=C/C1CCCC1	830787661	HYNBGKGOAZJFBF-BCPZQOPPSA-N	310.394	1.858	50	20	DDGD	
CC(C)(C)O[C@@H]1C[C@@H](NS(=O)(=O)CCl)[C@H]1n1cccn1	832550292	OGYXIFYBZNRPHJ-GMTAPVOTSA-N	321.830	1.496	50	20	DDGD	
OB(O)c1ccc(CNC[C@H]2CSc3ccccc32)c(F)c1	585043878	VEQDLMXWVHWABV-LBPRGKRZSA-N	317.194	1.485	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)NC1CCCCCCC1	836197724	SXEHWNLOWRJSIO-UHFFFAOYSA-N	305.382	1.952	50	20	DDGD	
CCc1nc(C)c(C(=O)NNc2ccc(C(=O)O)cn2)s1	833673189	HYLCTEZWVFKNKY-UHFFFAOYSA-N	306.347	1.864	50	20	DDGD	
C[C@@H](NCc1ccccc1B(O)O)c1nc(C(C)(C)C)cs1	585021691	BZRFNVXVHLAHEZ-LLVKDONJSA-N	318.251	1.971	50	20	DDGD	
COc1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)ccc1F	831705957	KUVOIUNVFAEHES-WCBMZHEXSA-N	311.313	1.412	50	20	DDGD	
CCCOCc1ccccc1CNCc1ccc(B(O)O)cc1	585016965	GDBGSUZFIHCIBA-UHFFFAOYSA-N	313.206	1.583	50	20	DDGD	
CC[C@H](CCc1ccccc1)NC(=O)c1cccc(B(O)O)c1	585010392	PMOOXEHNWYQLPQ-QGZVFWFLSA-N	311.190	1.508	50	20	DDGD	
Cc1ccccc1OCCCNC(=O)NNc1ccncn1	836285801	XVEIBISXTACNFZ-UHFFFAOYSA-N	301.350	1.880	50	20	DDGD	
CC(C)OC1(CNC(=O)c2ccc(B(O)O)cc2)CCCCC1	584958837	YRIWOANUKYQEKH-UHFFFAOYSA-N	319.210	1.224	50	20	DDGD	
C[C@@H]1CCCN(CCNC(=O)NNC(=O)CC(F)(F)F)C1	918065559	QRPBSNNCTXSITR-SECBINFHSA-N	310.320	1.001	50	20	DDGD	
CCC(=O)N1CCC(=NNC(=O)CCN2CCCCCC2)CC1	747316908	GKTAVBUIYMCFFP-UHFFFAOYSA-N	322.453	1.757	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)c1ccc(OC(F)F)c(Cl)c1	911445261	QKRXIDNDFUKMGK-SSDOTTSWSA-N	308.712	1.899	50	20	DDGD	
O=C(NCCN1CCCc2ccccc21)NNc1ncccn1	749213181	FQUIESOBDACAMR-UHFFFAOYSA-N	312.377	1.556	50	20	DDGD	
CC[C@@H](C)NC(=O)CCNC(=O)NNc1cc(F)ccc1F	914268434	ADCLNTWBCQJTQT-SECBINFHSA-N	314.336	1.896	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1Cl	843654492	FYICYCOKPYJTPI-YUMQZZPRSA-N	302.783	1.896	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)NC2CCC(N)CC2)cc1F	841945563	ROWOUCXKZKIRJQ-UHFFFAOYSA-N	324.356	1.508	50	20	DDGD	
COCC(=O)NNC(=O)Nc1ccc(Cl)c(SC)c1	841738303	KRHUYSGMVWSNAW-UHFFFAOYSA-N	303.771	1.861	50	20	DDGD	
CCC[C@H](C)N1C[C@@H](C(=O)NNC(=O)C2CCCC2)CC1=O	917662807	DIFXPTNZVCOXQD-AAEUAGOBSA-N	309.410	1.361	50	20	DDGD	
O=C(NN=Cc1ccc(OCC(F)F)cc1)C(=O)NC1CC1	741812261	PLEWKBHRNCGGGS-UHFFFAOYSA-N	311.288	1.059	50	20	DDGD	
O=C(Cc1ccc(Cl)cc1)NNC(=O)NC[C@H]1CCCCN1	841922998	WSJOBOCDHJRPHP-CYBMUJFWSA-N	324.812	1.355	50	20	DDGD	
COC1([C@H](C)NC(=O)NNc2ncc(F)cc2F)CCC1	840456854	LFUDIGXVDBRRRL-QMMMGPOBSA-N	300.309	1.944	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)Cc2coc3cc(F)ccc23)cn1	748320627	HJNSICTYKKBRDR-UHFFFAOYSA-N	316.292	1.309	50	20	DDGD	
C[C@H](CN)NC(=O)NNc1ccc(F)cc1Br	841969670	NJXMZMCLCJETOX-ZCFIWIBFSA-N	305.151	1.562	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCC[C@@H]1C[C@H]2C=C[C@H]1C2	847404059	SMSIQJJMCDMAEW-QSLWVIQJSA-N	307.394	1.344	50	20	DDGD	
COC(=O)c1cc(NNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)ccc1F	845437460	CLCVKDAMBZLUMW-WQAKAFBOSA-N	323.324	1.558	50	20	DDGD	
Cc1c(C(=O)N(C)CC(Cl)Cl)nnn1-c1cnn(C)c1	848083640	IZIVBYZXPGKILU-UHFFFAOYSA-N	317.180	1.185	50	20	DDGD	
CC(=O)Nc1ccc(O)c(C(C)=NNC(=O)c2cccn2C)c1	915957397	XGCFTOJBBYYZDE-UHFFFAOYSA-N	314.345	1.843	50	20	DDGD	
CN(C)CCCNC(=O)NNC(=O)c1ccc(Cl)cc1F	747575091	NXNDFGAALMRERF-UHFFFAOYSA-N	316.764	1.375	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccc2c(c1)OCO2)c1ccco1	741660389	VQXZIOMJTXRMPL-SECBINFHSA-N	302.286	1.573	50	20	DDGD	
C[C@H](Oc1cccc(C=NNC(=O)[C@@H]2CCO[C@H]2C)c1)C(=O)O	842553187	FKVZFNFNEDPLRH-COPLHBTASA-N	320.345	1.414	50	20	DDGD	
O=C(NN=C1CCN(Cc2ccccc2)C1=O)c1ccccn1	743418271	CBJZSGOLWGRVLV-UHFFFAOYSA-N	308.341	1.600	50	20	DDGD	
O=C(NNC(=O)c1ncccn1)c1cccc(OC(F)F)c1	743337001	MMINVTJISJMDEA-UHFFFAOYSA-N	308.244	1.153	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCc1ncc(C(C)(C)C)o1	843655754	KYYMJLMCAIGGLH-WDEREUQCSA-N	323.393	1.477	50	20	DDGD	
Cc1ccc([C@H](C)[C@H](O)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1	843978090	ITPDGYOVVUXOPH-VIRABCJISA-N	320.389	1.032	50	20	DDGD	
CC(=O)CSCC(=O)NNc1ncc(Br)cn1	848321903	IONDQLIPMSVIKW-UHFFFAOYSA-N	319.184	1.004	50	20	DDGD	
CCOCCO[C@H](C)C(=O)NNc1ncccc1C(F)(F)F	740092316	ZTKZQWWTJABSHG-SECBINFHSA-N	321.299	1.985	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)[C@@H]1CCCS(=O)(=O)C1	845854289	AZBFLOBCDBXMFV-MRVPVSSYSA-N	304.318	1.233	50	20	DDGD	
O=C(Cn1cc(C2CC2)cn1)NNC(=O)c1ccc(Cl)cc1	854148086	GBEMPCQDWINEHK-UHFFFAOYSA-N	318.764	1.875	50	20	DDGD	
Nc1nc(Cl)cc(NNC(=O)c2cc3c(nc2O)CCC3)n1	753450330	SLLNBVRYPSVVTK-UHFFFAOYSA-N	320.740	1.058	50	20	DDGD	
CCC(N)(CC)CNC(=O)NC[C@]1(C)C[C@@H]1Br	857104638	VEVHHPKBRUYVIH-ONGXEEELSA-N	306.248	1.977	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@](C)(O)c1ccc(F)cc1	929430115	VOFNDIPMWICSCN-CQSZACIVSA-N	313.398	1.327	50	20	DDGD	
Cc1nn(C(C)(C)C)c(C)c1C=NNC(=O)N1CCOCC1	755674398	XNAZCBBOWLKZIZ-UHFFFAOYSA-N	307.398	1.631	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)N[C@@H]2CCN(C(C)C)C2=O)c1	858240180	DBJJYFZAXIHVED-SNVBAGLBSA-N	324.406	1.010	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)N[C@H]2COC[C@@H]2C)cc1	926021659	ATHXHNUTXRKPIV-GWCFXTLKSA-N	307.350	1.063	50	20	DDGD	
C[C@H](NC(=O)NNc1ccccc1S(C)(=O)=O)C1CCC1	756108020	IYDWDJGSEKKZNH-JTQLQIEISA-N	311.407	1.905	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)C1CCC1	855825987	QAWJUEQMZRFAKN-LLVKDONJSA-N	311.426	1.513	50	20	DDGD	
CN(Cc1nc[nH]n1)C(=O)NC[C@@]1(C)C[C@H]1Br	856897199	KVFHXNGLRZVTNY-GMSGAONNSA-N	302.176	1.120	50	20	DDGD	
CC(CC1CC1)=NNC(=O)Cc1csc(N2CCOCC2)n1	756824218	TXXSECGEAIMWSN-UHFFFAOYSA-N	322.434	1.814	50	20	DDGD	
CC(C)CSCCNC(=O)NNC(=O)CC(F)(F)F	756752829	IYKVFJMLJDAJNV-UHFFFAOYSA-N	301.334	1.658	50	20	DDGD	
COC[C@@H](C)Oc1ccc(C=NNC(=O)c2ncccn2)cc1	853359038	ILVBWRKISJVZLI-GFCCVEGCSA-N	314.345	1.654	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N[C@H](C[C@H]1CCCO1)C(=O)OCC	924877503	QZMDOGGYXDTEKZ-HRFIDBLHSA-N	310.350	1.047	50	20	DDGD	
CCN(CC(=O)NNC(=O)c1ccccc1Cl)[C@@H](C)C#N	852642867	PMFSCJWJWBQTOF-JTQLQIEISA-N	308.769	1.335	50	20	DDGD	
O=C(NCc1ccco1)NN=Cc1cc([N+](=O)[O-])ccc1O	920826237	TZPQVEYZNULVAE-UHFFFAOYSA-N	304.262	1.727	50	20	DDGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](C)c1nccn1C	856277554	LUWPTLICGLIVEH-JTQLQIEISA-N	309.801	1.963	50	20	DDGD	
O=C(NNC(=O)N1CC[C@@H](C2CCCCC2)C1)c1ncccn1	852385596	RVZKYARIAQQSQK-CYBMUJFWSA-N	317.393	1.733	50	20	DDGD	
COc1cc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)on1	753612843	JTMDPSSXHBVPDN-UHFFFAOYSA-N	319.361	1.661	50	20	DDGD	
O=C(Cc1cnccc1Cl)NNC(=S)NCC1CCC1	855090239	REXNGZTVKUEKQL-UHFFFAOYSA-N	312.826	1.573	50	20	DDGD	
Cc1cc(NC(=O)NNC(=O)c2ccc(C#N)cc2)sn1	756858261	SSVYTVQBIIXCIF-UHFFFAOYSA-N	301.331	1.790	50	20	DDGD	
CCOC(=O)C1(CC(=O)NNc2ncc(Cl)cn2)CCC1	857358113	PAKWWDXIVQQUTJ-UHFFFAOYSA-N	312.757	1.697	50	20	DDGD	
O=C(NN=CC1CC1)c1cccc(S(=O)(=O)N2CCCC2)c1	755466485	CMYCDMHKIJWACX-UHFFFAOYSA-N	321.402	1.597	50	20	DDGD	
C[C@@H](NNC(=O)CN1CCc2ccccc2C1=O)C(F)(F)F	862316516	CYMYOIUDARSPOK-SECBINFHSA-N	315.295	1.257	50	20	DDGD	
CCO[C@@H](CC(=O)NNC(=O)Cc1ccc(F)cc1)C(C)C	760301663	PSZHNPPZRUGUOO-AWEZNQCLSA-N	310.369	1.967	50	20	DDGD	
CN(C)c1ccc(NC(=O)NNC(=O)C2(F)CCOCC2)cc1	868120772	FCFJJBAHPZNMFD-UHFFFAOYSA-N	324.356	1.424	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNC(=O)CC(C)C)n(C(C)(C)C)n1	763882108	KFCLKOYAKYUZRL-UHFFFAOYSA-N	323.397	1.079	50	20	DDGD	
CC(C)C(=O)NNC(=O)COc1ccc(Br)cn1	864491328	VLFPAAYFQGJRQN-UHFFFAOYSA-N	316.155	1.026	50	20	DDGD	
CC(C)(C(=O)NNC(=O)c1cncc(Cl)n1)c1ccccc1	760822188	VDBIIMGKUOTVIW-UHFFFAOYSA-N	318.764	1.869	50	20	DDGD	
CC(C)(C(=O)NNC(=O)C[C@H]1COC(=O)C1)c1ccccc1	765453289	NIACNQZYYOSQHO-LLVKDONJSA-N	304.346	1.065	50	20	DDGD	
CSc1nc(O)c(C(=O)NN[C@@H](C)C(F)(F)F)cc1C#N	862306890	FIUFSYZKAUHAAH-YFKPBYRVSA-N	320.296	1.566	50	20	DDGD	
O=C(NNc1cnc2ccccc2n1)c1cc2n(n1)CCCO2	762264028	LQPODSHJPMIPMR-UHFFFAOYSA-N	310.317	1.366	50	20	DDGD	
COC1(C=NNC(=O)c2ccc(O)c(Cl)c2)CCOCC1	761814935	DLJSZVLGPLWZLG-UHFFFAOYSA-N	312.753	1.957	50	20	DDGD	
Cc1oc2ccccc2c1CC(=O)NNC(=O)Cc1cc[nH]n1	767978558	HBVIXOJSNPKYGC-UHFFFAOYSA-N	312.329	1.397	50	20	DDGD	
CCOC(=O)C(CC)(CC)CNC(=O)NNC(=O)C(C)(C)C	868231106	YCEREMVXORKTFA-UHFFFAOYSA-N	315.414	1.732	50	20	DDGD	
Cc1ccc(CC(=O)NNc2ccc(C(N)=O)nn2)c(Cl)c1	762555129	RYLQLVZFPUBVHP-UHFFFAOYSA-N	319.752	1.223	50	20	DDGD	
COC(OC)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	873817756	GXPPJRVYKUQYNL-UHFFFAOYSA-N	312.391	1.397	50	20	DDGD	
COC(=O)C(=O)NNC(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C	1116186679	FDEHQRCQRISZQP-GHMZBOCLSA-N	313.398	1.342	50	20	DDGD	
CC[C@]1(CNC(=O)NN(C)C(=O)OC)OCCc2ccccc21	875592364	WNZMVOQSWXOIEW-MRXNPFEDSA-N	321.377	1.777	50	20	DDGD	
CCn1ccnc1[C@@H]1OCC[C@H]1C=NNC(=O)c1cc[nH]n1	872388655	UMDPAXPMYSKZIR-CMPLNLGQSA-N	302.338	1.120	50	20	DDGD	
CCO[C@H]1COCC[C@@H]1NC(=O)NNc1c(C)cccc1F	771352127	KHLYKYIVRKBLMT-STQMWFEESA-N	311.357	1.954	50	20	DDGD	
CCOc1cccc([C@H](C)N[C@H](C)C(=O)NNC(=O)CC)c1	775209572	CNFXNADWVIROOE-NWDGAFQWSA-N	307.394	1.682	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2CCO[C@@H](C)C2)c1	776293040	UZRKMDKNWGYPDF-QWRGUYRKSA-N	322.361	1.280	50	20	DDGD	
Cc1nc([C@@H](C)NC(=O)NNC(=O)Cc2ccc(F)cc2)no1	1117318220	OQUGWPYFBIEASM-MRVPVSSYSA-N	321.312	1.151	50	20	DDGD	
C[C@@]1(C(=O)NNc2ccnc(Br)c2)CCOC1	771561466	QHGNIFCYZHDCNV-LLVKDONJSA-N	300.156	1.714	50	20	DDGD	
COC(=O)N(C)NC(=O)NC[C@H]1CCCN1C1CCCCC1	875557228	ZUZKJEBVFWRENZ-CYBMUJFWSA-N	312.414	1.696	50	20	DDGD	
O=C(NNc1ccccn1)Nc1ccccc1Cn1cncn1	779029761	IIZWCPPYUYBOCG-UHFFFAOYSA-N	309.333	1.870	50	20	DDGD	
Cn1nc(-c2ccco2)cc1NC(=O)NNC(=O)C1CCC1	1116802704	CYJCGHJTYLURJX-UHFFFAOYSA-N	303.322	1.633	50	20	DDGD	
COC(=O)C(=O)NNC(=O)N[C@H](C)c1oc2ccccc2c1C	1116761900	TUQPRTDFCSAPSJ-SECBINFHSA-N	319.317	1.306	50	20	DDGD	
C[C@@H](c1ccncc1)N(C)CC(=O)NNC(=O)c1cccs1	777713893	LQSNUJXCIQZFFU-NSHDSACASA-N	318.402	1.597	50	20	DDGD	
Cc1nc(N)c2c(C)c(C(=O)NNc3ncccn3)sc2n1	777847139	QBYVLXSZGOXMLK-UHFFFAOYSA-N	315.362	1.437	50	20	DDGD	
CCc1nn(C)cc1C(=O)NNc1oc(C(C)C)nc1C#N	770719048	KAUIHRVAMGXEOF-UHFFFAOYSA-N	302.338	1.722	50	20	DDGD	
CC[C@H](CO)C(=O)NNC(=O)COc1cc(C)ccc1C(C)C	779717600	TZUNQVSRZAQTJO-CYBMUJFWSA-N	322.405	1.663	50	20	DDGD	
CC(C)C(=O)NNC(=O)CN[C@H](Cc1ccccc1)C(C)C	886422283	KGBJBXKSALZQOD-OAHLLOKOSA-N	305.422	1.647	50	20	DDGD	
CCOC(=O)[C@H](CO)NC(=O)CCCC[C@@H]1CCSS1	782758326	HXALQKJUHGWIRJ-MNOVXSKESA-N	321.464	1.741	50	20	DDGD	
O=C(NCc1ccc([N+](=O)[O-])cc1)NNc1ncncc1Cl	780963145	DMBHJKOIYJUPCE-UHFFFAOYSA-N	322.712	1.865	50	20	DDGD	
C=C1CCC(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CC1	887833950	BIKGEZVCOOJGKE-UHFFFAOYSA-N	316.357	1.965	50	20	DDGD	
COCCONC(=O)NNC(=O)c1ccc(Cl)cc1Cl	789341647	IIAKQKAYOCZBCR-UHFFFAOYSA-N	322.148	1.515	50	20	DDGD	
CC1(C=NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1	782159554	RVBICOZLRRKJHT-UHFFFAOYSA-N	315.782	1.503	50	20	DDGD	
COc1ccccc1CC(=O)NNC(=O)NC[C@@H]1C=CCC1	883779056	NQZKZWLYMIQMEP-GFCCVEGCSA-N	303.362	1.534	50	20	DDGD	
Cc1cc(C(=O)OCC(=O)NNC(=O)c2cccs2)co1	781379161	CPPLUQWIXRNURE-UHFFFAOYSA-N	308.315	1.268	50	20	DDGD	
CN1CCC[C@@H]1c1cc(C(=O)NNc2ccc(Cl)cn2)n[nH]1	898978689	XUUDZUINLJITIG-GFCCVEGCSA-N	320.784	1.982	50	20	DDGD	
C#CCOc1ccc(C(=O)NNc2ncncc2Cl)cc1	781825006	XWQSZLCHDLRROI-UHFFFAOYSA-N	302.721	1.899	50	20	DDGD	
CCOC(=O)C1(C(=O)NNc2cccc(C(=O)OC)c2)CCC1	781037508	BSZKRFYUWIZVLW-UHFFFAOYSA-N	320.345	1.650	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1nnn(-c2cccc(C)c2)c1C	780712889	ZAPODBMJYNIKRY-UHFFFAOYSA-N	316.365	1.190	50	20	DDGD	
COC(=O)COc1ccc(C(=O)N2CC=C(C#N)CC2)cc1	780687692	HXFYRKKTXDIKHR-UHFFFAOYSA-N	300.314	1.534	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)NCCOC2CCSCC2)cn1	891224556	KIKPQBUAAHQPKE-JYRVWZFOSA-N	320.418	1.355	50	20	DDGD	
O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21)c1cc2ccccc2cc1O	891823335	QKLWIMYIWBFGNE-KNXALSJPSA-N	324.336	1.532	50	20	DDGD	
COc1c(C(=O)NNc2ncncc2Cl)cccc1[N+](=O)[O-]	793893158	ZUSSIFRYYDMKSD-UHFFFAOYSA-N	323.696	1.804	50	20	DDGD	
Cc1cccc(C(=O)NN=Cc2ccccc2N2CCOCC2)n1	794566858	JFRBRKULQQPNHR-UHFFFAOYSA-N	324.384	1.991	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)CC(C)(C)O)c2ccccc2n1	799009847	BAOSFOMTDPHWMX-UHFFFAOYSA-N	301.346	1.465	50	20	DDGD	
CCN(CC(=O)NNC(=O)C1CC1)c1ccc(Cl)c(F)c1	799341158	QDRFEJXBYZUHMW-UHFFFAOYSA-N	313.760	1.863	50	20	DDGD	
O=C(Cc1ccc2n[nH]cc2c1)NNc1ccc(Cl)nn1	795111655	SDOPNSQTEHYKON-UHFFFAOYSA-N	302.725	1.692	50	20	DDGD	
O=C(/C=C\c1ccc(O)c(O)c1)NNC(=O)NCC(F)(F)F	798316052	SVUHMYDVBATDLP-RQOWECAXSA-N	319.239	1.004	50	20	DDGD	
O=C(Cc1ccc(F)cc1)NNC(=O)c1cn2c(n1)CCCC2	799520911	SLXFJBDWVIFFSZ-UHFFFAOYSA-N	316.336	1.362	50	20	DDGD	
CCOC(=O)c1cccc(S[C@@H](C)C(=O)NNC(=O)CC)c1	794451629	AAEZMWMOOGCZHY-JTQLQIEISA-N	324.402	1.901	50	20	DDGD	
Cc1cccnc1NNC(=O)[C@H]1CCCN1C(=O)C(C)(C)C	791221826	ZOLQATCJBKSBTJ-GFCCVEGCSA-N	304.394	1.870	50	20	DDGD	
CC1=C(C)CN(CC(=O)NNC(=O)Cc2ccccc2C)CC1	796589935	OODIARROZFQYHI-UHFFFAOYSA-N	315.417	1.727	50	20	DDGD	
CSSCCNC(=O)N(C)C[C@@H]1CCN(C(C)=O)C1	790878132	IBCCDGNZPTZEKU-NSHDSACASA-N	305.469	1.507	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)c1ccc(C(N)=O)o1	798312417	DJOBYTLJCUTMHS-UHFFFAOYSA-N	302.290	1.153	50	20	DDGD	
CCO/C=C(\C#N)C(=O)NCc1cc(OCC(F)F)ccn1	1319894661	OULJJMLOJRBRID-CSKARUKUSA-N	311.288	1.786	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccc(Cn3cccc3)cc2)cn1	1318656995	UQAFSMYFKXOWQH-UHFFFAOYSA-N	323.356	1.345	50	20	DDGD	
NC(=O)Cc1occc1C(=O)NNc1ncnc2ccsc12	1323560252	FSNBHMIFFBVWRS-UHFFFAOYSA-N	317.330	1.069	50	20	DDGD	
O=C(NNC(=O)c1cnn2ncccc12)c1ccccc1Cl	1326204871	UAHXTYWDOXIOTQ-UHFFFAOYSA-N	315.720	1.458	50	20	DDGD	
Cc1cc(C=NNC(=O)CSc2ccccc2O)ncn1	1326241053	VHARNWMOWYKDCE-UHFFFAOYSA-N	302.359	1.733	50	20	DDGD	
C[C@H]1CCCN(C(=O)C(=O)NNc2ccc(C(C)(C)C)nn2)C1	1321797392	OLRUBXLOWIMZJW-NSHDSACASA-N	319.409	1.476	50	20	DDGD	
CCNC(=O)N(C)NC(=O)CCc1nc(-c2ccccc2)no1	1320052554	FBUAOSJUIWEUIG-UHFFFAOYSA-N	317.349	1.362	50	20	DDGD	
O=C(CCc1nc2cccnc2[nH]1)NNc1cccc(F)n1	1328637066	GDNNPSNLFIUTGI-UHFFFAOYSA-N	300.297	1.568	50	20	DDGD	
CSCC[C@@H](O)C(=O)NNC(=O)c1ccccc1Cl	1253864197	RFSMOXOZPQJVBT-SNVBAGLBSA-N	302.783	1.215	50	20	DDGD	
O=C(NNC(=O)N1CC[C@H](c2cccc(F)c2)C1)c1cn[nH]c1	1331313047	QLBCZQKLANFYTC-NSHDSACASA-N	317.324	1.393	50	20	DDGD	
CCCc1csc(NC(=O)C(=O)NNc2ccc(C)nn2)n1	1256212410	UVBNNLAZCFEJFF-UHFFFAOYSA-N	320.378	1.276	50	20	DDGD	
Cn1cc(-c2ccc(C=NNC(=O)N3CCOCC3)cc2)cn1	1256376680	MBXARYHGQSJCRB-UHFFFAOYSA-N	313.361	1.463	50	20	DDGD	
CC[C@@H](F)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1	1262625382	ISFOLFYQCXUGQO-LLVKDONJSA-N	303.359	1.128	50	20	DDGD	
CC1(CNC(=O)NNC(=O)c2ccccc2Cl)CCNCC1	1261377511	VYRZWIJNLAIEDG-UHFFFAOYSA-N	324.812	1.674	50	20	DDGD	
COC12CCC(C(=O)NNc3ccc(C#N)cc3)(CC1)C(=O)C2	1349342959	OVDJCLWSVSDLRO-UHFFFAOYSA-N	313.357	1.920	50	20	DDGD	
CC1(C)CN(C(=O)NNC(=O)c2cccnn2)[C@@H]2CCC[C@@H]21	1342189705	ITWLHCNODCVBEF-CMPLNLGQSA-N	303.366	1.342	50	20	DDGD	
C#CCN(C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br)C(C)C	1354829976	BNWFGVSYCUNBFQ-GXFFZTMASA-N	315.211	1.146	50	20	DDGD	
C[C@@H]1CCCN1C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br	1351192581	RDACTFVGWXGNAL-VDDIYKPWSA-N	303.200	1.287	50	20	DDGD	
Cc1cc(C(=O)NNc2ccc(C(=O)O)cn2)ccc1[N+](=O)[O-]	1607579705	CMSHNYYNHCPHKA-UHFFFAOYSA-N	316.273	1.753	50	20	DDGD	
C[C@H](Cn1cccn1)NC(=O)NNc1cccc(C(=O)O)c1F	1604247736	SKMZEBLPPNGUFM-SECBINFHSA-N	321.312	1.435	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2cnn(CC3CC3)c2)nc1	1608904683	DOXUTGYHCGKRRN-UHFFFAOYSA-N	301.306	1.143	50	20	DDGD	
O=C(O)c1ccc(NNC(=O)c2ccc(OC(F)F)nc2)nc1	1602382833	FHMHCUXQRRIIPZ-UHFFFAOYSA-N	324.243	1.533	50	20	DDGD	
O=C(Cc1ccccc1O)NNC(=O)c1ccc(C(=O)O)s1	1601369431	HUHXJPIWEJHXSI-UHFFFAOYSA-N	320.326	1.156	50	20	DDGD	
Cc1nc2ccccc2n1CC(=O)NN=C1CC(CC(=O)O)C1	1600729350	RWSKJKXDVJHWHF-UHFFFAOYSA-N	314.345	1.702	50	20	DDGD	
Cc1nc(-c2ccccn2)nc(NNC(=O)CCC(=O)O)c1C	1611113268	IKDFLJZUKFNVFE-UHFFFAOYSA-N	315.333	1.463	50	20	DDGD	
CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1nc(C)cs1	1549684913	KLXSZSNNAASJHM-RYUDHWBXSA-N	308.407	1.155	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@@H]2C=NNC(=O)[C@@H]2CCCOC2)cn1	1552453128	JAELBJMYGXBIQD-UMVBOHGHSA-N	320.393	1.416	50	20	DDGD	
CCn1cc([C@H]2OCC[C@@H]2C=NNC(=O)c2cccnn2)cn1	1552928181	YUZCQZONBRJZOE-RISCZKNCSA-N	314.349	1.186	50	20	DDGD	
COC(=O)c1ccccc1NNC(=O)[C@H](N)CCCCC#N	1578879531	AMSIWOJUHBCZNH-GFCCVEGCSA-N	304.350	1.328	50	20	DDGD	
Cc1cccc(NC(=S)NNC(=O)[C@H](N)CC2CC2)c1C	1579768346	VQWQDJNQEXLUMZ-GFCCVEGCSA-N	306.435	1.748	50	20	DDGD	
O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)c2ccco2)C1	1842368038	XUJCWVWUYYCPNN-SNVBAGLBSA-N	300.717	1.631	50	20	DDGD	
O=C(NNC(=O)c1ccccc1F)N[C@]12CCC[C@H]1NCC2	1580737714	WOBGCVAOTOFRPM-DOMZBBRYSA-N	306.341	1.054	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cnc2cc[nH]c2c1	1593165511	OEQHVPFSVLPGEB-UHFFFAOYSA-N	320.316	1.500	50	20	DDGD	
CCCCC[C@H](NC(=O)NNC(=O)C(=O)O)c1ccccc1	1595672205	FZSMQKZMPARQFG-LBPRGKRZSA-N	307.350	1.723	50	20	DDGD	
CCc1nnc(C(=O)NNc2ccc(CC(=O)O)cc2)s1	1597724745	WIRNAQUNDIZEPC-UHFFFAOYSA-N	306.347	1.485	50	20	DDGD	
CC[C@@H](C(=O)O)C(=O)NNc1cncc(Br)c1	1594755078	ANKIEONNQZNAKG-MRVPVSSYSA-N	302.128	1.398	50	20	DDGD	
COc1c(NC(=O)NNC(=O)C2CCC2)cccc1C(=O)O	1599338985	DJVPEOMFTXYGMO-UHFFFAOYSA-N	307.306	1.346	50	20	DDGD	
COCCCNC(=O)NN=Cc1cc(C(=O)O)ccc1N(C)C	1776039684	SHXVSXGMLLACFF-UHFFFAOYSA-N	322.365	1.120	50	20	DDGD	
CC(C)(CCl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC#N)C2	1792881237	YIRUTVGDECBOOH-ZSBIGDGJSA-N	311.813	1.803	50	20	DDGD	
Cc1cc(CC(=O)NNC(=S)N[C@H]2CCCC[C@@H]2C)[nH]n1	17514294	QWFDVHLMBLTARS-CABZTGNLSA-N	309.439	1.335	50	20	DDGD	
C=C(C)COCCNC(=O)NNc1ncnc2ccsc12	152834666	LHOAYZNGGZXKDK-UHFFFAOYSA-N	307.379	1.910	50	20	DDGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CCc1cnn(C)c1	156191743	JVSUNOKFWPBELT-UHFFFAOYSA-N	305.290	1.875	50	20	DDGD	
CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NNc1ccc(Cl)nn1	155341946	LBQCABJZKNGOKF-ONOSFVFSSA-N	311.773	1.570	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cc2ccccc2cc1O	154650322	SLVCLGYMGCCIBF-HNNXBMFYSA-N	314.341	1.876	50	20	DDGD	
O=S(=O)(N[C@H](CO)CC1CC1)c1ccc(CCl)cc1	914290446	PEXMWHSGBQXULD-LBPRGKRZSA-N	303.811	1.865	50	20	DDGD	
ICCN1CCC[C@H](C2OCCO2)C1	190860228	BGFYTHHXHDOIJC-VIFPVBQESA-N	311.163	1.506	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NNC(=O)C1CCCCCC1	101826348	GNWQGMBAFZBLOH-UHFFFAOYSA-N	307.350	1.127	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C(C)(C)c1ccc(F)cc1	103064501	UPKIRHDBIZTRBA-UHFFFAOYSA-N	303.337	1.903	50	20	DDGD	
CSc1ccc(C(=O)NNC(=O)Cc2cccnc2)cc1	103424636	LSPVPRCIUORKNL-UHFFFAOYSA-N	301.371	1.807	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H](C)c1ccc(Cl)s1	175830949	JYSHTRFEAPPMTH-QMMMGPOBSA-N	319.814	1.872	50	20	DDGD	
Cc1cc(NNC(=O)c2ccc(-n3cncn3)c(C)c2)ncn1	173609260	WLQRJNLVLCRRJQ-UHFFFAOYSA-N	309.333	1.431	50	20	DDGD	
O=C(NNC(=O)c1cccc2ncccc12)c1n[nH]c2c1CCC2	106811489	VSRCBCLGOOUANT-UHFFFAOYSA-N	321.340	1.521	50	20	DDGD	
C=CCOc1ccc(C(=O)NNC(=O)c2c[nH]nc2C)cc1	109859106	AMTBMHSDGVOZBL-UHFFFAOYSA-N	300.318	1.358	50	20	DDGD	
O=C(CNCC(F)(F)F)NNC(=O)c1cc2ccccc2o1	177740875	WRNIASHGSAMROF-UHFFFAOYSA-N	315.251	1.346	50	20	DDGD	
O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NNc1ncccn1	117752035	UTWCGVQGQDVJQC-UHFFFAOYSA-N	307.697	1.724	50	20	DDGD	
O=C(CN1CSCC1=O)NNc1cc(F)c(F)c(F)c1	175488671	MPSPBTSMUVJQCN-UHFFFAOYSA-N	305.281	1.080	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2CCCN2C(=O)NC(C)C)n1	119924375	LKFQMLAVNBLWCX-LBPRGKRZSA-N	320.397	1.119	50	20	DDGD	
CCCNC(=O)NNC(=O)c1cnc(OCC)c(Cl)c1	112278834	IXPMYUCUBSCXEZ-UHFFFAOYSA-N	300.746	1.488	50	20	DDGD	
C[C@H](Oc1cccnc1)C(=O)NNC(=O)CCc1ccccc1	117639946	DQOLHXFZDIBFEJ-ZDUSSCGKSA-N	313.357	1.629	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2cc(C)sc2C)n1	20918010	XMMUOTFPIYGXRL-UHFFFAOYSA-N	306.391	1.639	50	20	DDGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CC(O)C2)c1C	177988346	PRVMJCYRPXHMJA-BYQGBLLGSA-N	317.389	1.422	50	20	DDGD	
CSC[C@H](C)C(=O)NNC(=O)CNc1ccc(C)cc1C	66928666	ROZGBJLKFNHLCR-LBPRGKRZSA-N	309.435	1.862	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)N1CC=C(c2ccc(F)cc2)CC1	111196356	HBHAWECBOLDIEZ-GFCCVEGCSA-N	319.380	1.861	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)N(C)CCCc1ccc(OC)cc1	111205580	JUWWZXDZUGPXHB-ZDUSSCGKSA-N	321.421	1.506	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	119903212	VJCZGFKWYQJMRG-MCIONIFRSA-N	301.390	1.949	50	20	DDGD	
CCCN(CC)CCNC(=O)NNC(=O)c1ccc(CC)cc1	175769622	BJHWJADGRKYNEA-UHFFFAOYSA-N	320.437	1.925	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)C1(c2ccc(F)cc2)CCC1	65192530	AFOATAGKRGOUHV-UHFFFAOYSA-N	305.353	1.988	50	20	DDGD	
Cc1noc(C)c1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	20909540	TWCLZDOIYKNHPL-SNVBAGLBSA-N	321.308	1.659	50	20	DDGD	
O=C(NNc1ncccn1)N[C@H]1CCOc2ccc(F)cc21	69461848	OWTNFUOPMXPGKC-NSHDSACASA-N	303.297	1.766	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1ccc(F)cc1F	123164871	PBBSCQGQGMZVPV-PELKAZGASA-N	313.304	1.535	50	20	DDGD	
CCc1nc2ccccc2n1CC(=O)NNC(=O)NCC1CC1	65193179	VQPJARJOYSWLBH-UHFFFAOYSA-N	315.377	1.339	50	20	DDGD	
COCCCCC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	122143945	FHRUCVOCLBVCMD-LLVKDONJSA-N	312.341	1.557	50	20	DDGD	
Cc1ccc(SCC(=O)NNC(=O)C2(O)CCCC2)cc1	123881924	MWCIRHQSFVRQLL-UHFFFAOYSA-N	308.403	1.540	50	20	DDGD	
O=C(CCCn1ccnc1)NNc1ccc(C(F)(F)F)nn1	124467730	RUVFVOAHPAFONN-UHFFFAOYSA-N	314.271	1.615	50	20	DDGD	
CC(C)(CCC(=O)NNC(=O)Cc1cc[nH]n1)c1ccccc1	186082600	DUXFWYCHIOQLEQ-UHFFFAOYSA-N	314.389	1.858	50	20	DDGD	
CN(CCCNC(=O)NNC(=O)C(C)(C)C)Cc1ccccc1	78949850	MKVIMENKCGCCID-UHFFFAOYSA-N	320.437	1.885	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cc(C)oc2C)c1O	72655301	VTTDXJWHOPTNDW-UHFFFAOYSA-N	304.302	1.685	50	20	DDGD	
O=C(CSc1nc2ccccc2o1)NNC(=O)c1ccc[nH]1	122928302	VUIBLNULJFXEFD-UHFFFAOYSA-N	316.342	1.709	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)NCc1ccncc1	127447114	QPMUCOFVRZHKAT-UHFFFAOYSA-N	314.345	1.129	50	20	DDGD	
C[C@@H](C(=O)NC1CC1)N1CCN(/C(=C/C#N)c2ccccc2)CC1	78670128	KFQIFPSYGLMFDL-UPAIAECRSA-N	324.428	1.836	50	20	DDGD	
Cc1ccc(C(=O)CCC(=O)NNC(=O)[C@@H]2CCCO2)s1	32258567	NBZOQVRGRNRASK-NSHDSACASA-N	310.375	1.346	50	20	DDGD	
CCN(CC)C(=O)CCCC(=O)NNc1cc(C)nc(C)n1	128917115	YSFZJNYDQCIVSN-UHFFFAOYSA-N	307.398	1.575	50	20	DDGD	
C[C@H](C#N)CNC(=O)NNC(=O)Cc1ccc2ccccc2c1	182801830	ANDJGHSULDIQKQ-GFCCVEGCSA-N	310.357	1.872	50	20	DDGD	
Cc1ccc2[nH]c(C(=O)NNC(=O)Cc3cc[nH]n3)cc2c1C	186137023	FGDGYFIYHFTNRY-UHFFFAOYSA-N	311.345	1.512	50	20	DDGD	
CCN(C)C(=O)CNC(=O)NNc1ccccc1C(F)(F)F	186197053	BBYWFQASCPEOEA-UHFFFAOYSA-N	318.299	1.810	50	20	DDGD	
CC(C)(C)C(=O)Cn1cc(C(=O)NNc2ccccn2)nn1	181239561	MTUKZMONWSSKJI-UHFFFAOYSA-N	302.338	1.045	50	20	DDGD	
O=C(NNc1nc(-c2ccncc2)no1)[C@@H](O)c1ccccc1	73259646	LGYQUJUFNKVFDS-LBPRGKRZSA-N	311.301	1.308	50	20	DDGD	
Nc1nccnc1C(=O)NNc1ccc(-c2ccccc2)nn1	85656139	GCPBZUXHTFQOFR-UHFFFAOYSA-N	307.317	1.273	50	20	DDGD	
O=C(NNC(=O)c1cnc([C@H]2CCCO2)s1)c1cccnc1	89599579	MOEBAAGGQBCRFS-SNVBAGLBSA-N	318.358	1.464	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(F)c(Cl)cc1F	134447957	VNVXITRBCQVVLH-UHFFFAOYSA-N	321.711	1.599	50	20	DDGD	
O=C(NNc1ccc(-n2cccn2)nn1)NC1CCSCC1	195477078	RDVLHBUQEHWTKC-UHFFFAOYSA-N	319.394	1.184	50	20	DDGD	
CCC1(CC)NC(=O)N(CC(=O)NNc2ccccc2C)C1=O	192733715	JZMOBMUILWFBIP-UHFFFAOYSA-N	318.377	1.549	50	20	DDGD	
CC[C@@H](NNC(=O)[C@@H](C)Oc1cccc(C)c1C)C(=O)OC	192828701	QPSZGBPBYJYLCV-CHWSQXEVSA-N	308.378	1.643	50	20	DDGD	
C[C@@H](CCc1ccco1)NC(=O)NNC(=O)c1ccccc1O	43725660	MNBLKASVQGJIJM-NSHDSACASA-N	317.345	1.951	50	20	DDGD	
COCCNC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	193040492	WEHGCYNUMWJVMM-POHAHGRESA-N	320.261	1.173	50	20	DDGD	
CC(C)(O)C(=O)NNC(=O)c1ccc(F)cc1C(F)(F)F	192913577	NIOCTJOZADPNEK-UHFFFAOYSA-N	308.231	1.376	50	20	DDGD	
CCC[C@H](CC)NC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O	266668597	AEDNGHDVLOJLEQ-VIFPVBQESA-N	324.337	1.823	50	20	DDGD	
CCNC(=O)NNC(=O)Nc1cc(Cl)c(OC)cc1OC	266279288	FRGQWYLWCWGCAV-UHFFFAOYSA-N	316.745	1.713	50	20	DDGD	
COC(=O)[C@H]1C[C@H]1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	263870184	HWJSYGJCOOIKME-SFYZADRCSA-N	313.697	1.500	50	20	DDGD	
N#Cc1ccc(C(=O)NNC(=O)N2CCC3(CCO3)CC2)cc1	367236649	HIFCJUKHBQECLD-UHFFFAOYSA-N	314.345	1.168	50	20	DDGD	
Cc1cc(C(=O)NN=c2nc(-c3ccc(Cl)cc3)[nH]o2)n[nH]1	363525634	QJSHJSQKZLHGKH-UHFFFAOYSA-N	318.724	1.600	50	20	DDGD	
O=C(C[C@@H]1CCCCO1)NNc1nc(-c2cccnc2)no1	268058073	UVTJZHXRJHBWIC-NSHDSACASA-N	303.322	1.534	50	20	DDGD	
O=C(NNC(=O)c1ccnc(N2CCCC2)n1)c1ccccc1	265703123	LAMVQSJSFGKABI-UHFFFAOYSA-N	311.345	1.152	50	20	DDGD	
N#CC1=CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccco2)CC1	270960731	QYAVGLDVQPHACL-AWEZNQCLSA-N	313.357	1.957	50	20	DDGD	
COc1ccc(NNC(=O)[C@@H]2CCCCC(=O)N2)cc1Cl	279643993	CVRMMTBXJJPYKU-NSHDSACASA-N	311.769	1.851	50	20	DDGD	
O=S(=O)(CBr)N[C@@H]1C[C@H]1Cc1ccccc1	272806112	MEWWLUWUPQXCRG-GHMZBOCLSA-N	304.209	1.889	50	20	DDGD	
CN(C)c1nccc(NNC(=O)[C@H]2CCCc3cccnc32)n1	369333382	BQVJIHDIIPZBTQ-LBPRGKRZSA-N	312.377	1.501	50	20	DDGD	
CC(C)CC(=O)NNS(=O)(=O)c1ccc2c(c1)CCCO2	271315839	NETIPNHUQDGYFM-UHFFFAOYSA-N	312.391	1.367	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)N[C@@H]1CCCOCC1	271953216	KQRIIOAIZMQUTM-CQSZACIVSA-N	321.377	1.103	50	20	DDGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@@H]1CCc2nccn2C1	377164943	KOQGDCBNAXYJNT-GFCCVEGCSA-N	323.356	1.430	50	20	DDGD	
O=C(NNc1nccnc1C1CCC1)c1cnc2n1CCCC2	376487516	LXGLLMRXWCKWMY-UHFFFAOYSA-N	312.377	2.034	50	20	DDGD	
COC(=O)N(C)NC(=O)Cc1csc(-n2c(C)ccc2C)n1	286375463	NVVWCCFBRIMGLD-UHFFFAOYSA-N	322.390	1.823	50	20	DDGD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NNc1nccnc1C1CCC1	287184811	LUVMMQRFBXAQGS-AAEUAGOBSA-N	320.393	1.771	50	20	DDGD	
CC1=C(C(=O)NNc2ncccc2F)[C@@H](C)n2ncnc2N1C	285864766	FGTJQFNIEZVCGZ-SECBINFHSA-N	317.328	1.240	50	20	DDGD	
C[C@H](CF)NC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	289243192	SVVMPTNZEUKFTA-SSDOTTSWSA-N	320.271	1.982	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)c1ccc(C#N)cc1)C(F)(F)F	288646618	QPVZUWLWSVIKGU-SSDOTTSWSA-N	300.240	1.453	50	20	DDGD	
C[C@H]1CCC[C@H]1NCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	281967356	GQQYNOSVSHLAPY-GXFFZTMASA-N	320.349	1.134	50	20	DDGD	
C=CC[C@@H](CC)NC(=O)NNC(=O)COc1ccccc1OC	281297326	IXRVNLFKWOEAMI-GFCCVEGCSA-N	321.377	1.759	50	20	DDGD	
CS(=O)(=O)C1(C(=O)NNc2ccc(Cl)c(F)c2)CC1	281721225	WUCOVTHEGYTESY-UHFFFAOYSA-N	306.746	1.499	50	20	DDGD	
CCc1ccccc1OCC(=O)NNC(=O)N[C@@H]1C[C@H]1CC	280832262	UJSUVTGZTLTOIR-CHWSQXEVSA-N	305.378	1.757	50	20	DDGD	
Cc1cn(-c2ccc(F)cc2)nc1C(=O)NNC(=O)NC(C)C	283350160	POKCEXYPLVOWEE-UHFFFAOYSA-N	319.340	1.672	50	20	DDGD	
O=C(NNC(=O)C1CC1)c1ccc(-c2noc(C(F)F)n2)cc1	280711694	GNSVKXVWDDVACR-UHFFFAOYSA-N	322.271	1.845	50	20	DDGD	
CC1CC(C#N)(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)C1	802119691	PMLRJXVSERZHAR-UHFFFAOYSA-N	315.377	1.845	50	20	DDGD	
C[C@@H](OCCc1ccccc1)C(=O)NNC(=O)c1cccn1C	294572824	XNGSJLBPCHUGCS-CYBMUJFWSA-N	315.373	1.434	50	20	DDGD	
C[C@@H](CNC(=O)NNC(=O)[C@H]1CCCCO1)c1ccc(F)cc1	297244207	OAVQDCYZJWHFNT-SMDDNHRTSA-N	323.368	1.829	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCO1)Nc1cc(F)cc(F)c1F	297183335	WIMMVNIBYISYBR-VIFPVBQESA-N	303.240	1.436	50	20	DDGD	
COC(=O)c1ccc(Cl)c(C(=O)NNC(=O)CC(C)C)c1	809987177	VDYJUBGLEGLZTB-UHFFFAOYSA-N	312.753	1.934	50	20	DDGD	
COCCOC(=O)/C(C#N)=C/c1c(OC)cc(OC)cc1OC	298673253	PBTFRZRCYIKMAO-YRNVUSSQSA-N	321.329	1.809	50	20	DDGD	
Cn1c(O)nc2ccc(C(=O)NNc3ncccc3F)cc21	804218069	NQJSUMKJGUWXQA-UHFFFAOYSA-N	301.281	1.570	50	20	DDGD	
CCOc1ccccc1OCC(=O)NNC(=O)[C@H](C)OCC	298389516	DSJCOBMROSBPEE-NSHDSACASA-N	310.350	1.037	50	20	DDGD	
COc1ccc(-c2ocnc2C(=O)NN=c2cc[nH]cc2)cc1	809756849	UFUXNEBOCHBAPP-UHFFFAOYSA-N	310.313	1.924	50	20	DDGD	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H](C)OCC)cc1	298389264	DNQBDEMXZIRKQI-NWDGAFQWSA-N	324.377	1.425	50	20	DDGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCC[C@@H](O)C2)cc1	298321627	JWWSMCUOVRAIDZ-YVGNARHYSA-N	300.358	1.976	50	20	DDGD	
CCOc1cc(C(=O)NN(C)C2CC2)c([N+](=O)[O-])cc1OC	819642207	CDQXXWFNRGBKBE-UHFFFAOYSA-N	309.322	1.741	50	20	DDGD	
CC(C)(O)C(=O)NN=C(C[C@@H]1CCCO1)c1ccc(F)cc1	811648994	XHSNPWRWWZONED-ZDUSSCGKSA-N	308.353	1.986	50	20	DDGD	
C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NNC(=O)CC1CC1	819117839	GCDASMWICHGMSH-NSHDSACASA-N	313.357	1.449	50	20	DDGD	
Cc1c(C(=O)NNc2cccc(F)c2)nnn1-c1ccn(C)n1	815851919	ZHMRELRJNZLKBF-UHFFFAOYSA-N	315.312	1.205	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccc(C#N)c(F)c1	810253749	CBRCUSGQSHXIBS-UHFFFAOYSA-N	302.269	1.195	50	20	DDGD	
CCc1nc(C)c(C(=O)NNc2nc(-c3cccnc3)no2)o1	815546311	FZPULTUAXRZPSX-UHFFFAOYSA-N	314.305	1.747	50	20	DDGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=Cc2cnn(C)n2)cc1	814746637	ATYIAEITHUPZQS-NSHDSACASA-N	317.349	1.131	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)NOC/C=C/Cl)cc1	812706712	XNMPGQFXHKZFRZ-FARCUNLSSA-N	313.741	1.388	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)[C@@H]1CCCSC1	810535265	HNAXUPCRKRSVNM-SNVBAGLBSA-N	312.366	1.495	50	20	DDGD	
C=CCNC(=S)NNC(=O)[C@H](O)c1ccc(Cl)cc1F	813364158	HOZGWCZZJVOEOB-SNVBAGLBSA-N	317.773	1.194	50	20	DDGD	
COc1cc(C(C)=NNC(=O)c2ccc3c(c2)OCO3)on1	814700162	OHAFSHGGNQAEHO-UHFFFAOYSA-N	303.274	1.566	50	20	DDGD	
C[C@@H]1CCC(=NNC(=O)C2CCN(c3ncccn3)CC2)C1	814837049	FTYGZPTUSPYFAI-GFCCVEGCSA-N	301.394	1.985	50	20	DDGD	
C[C@@H]1CCC[C@@H]1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	824925444	CTUDUMXLUSURRF-SKDRFNHKSA-N	314.349	1.064	50	20	DDGD	
CN1CC[C@@](Cc2ccccc2)(C(=O)NNc2ccccn2)C1=O	821743320	QGRBSAIUGHLCOZ-GOSISDBHSA-N	324.384	1.616	50	20	DDGD	
COC(=O)c1cc2c(/C=C(/C#N)C(N)=O)ccc(OC)c2o1	490726317	PFTWWZROYOCDMD-UITAMQMPSA-N	300.270	1.620	50	20	DDGD	
COC(=O)c1ccc(O)c(C=NNC(=O)c2ccc(O)cc2)c1	726737723	JQGLKSLPMMTVJZ-UHFFFAOYSA-N	314.297	1.648	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)C1(C)CCN(Cc2ccccc2)CC1	823935058	MSBXGLHUWAXLKB-OAHLLOKOSA-N	319.449	1.633	50	20	DDGD	
CN(CC(=O)NNc1cccc(-c2nn[nH]n2)c1)c1ccccc1	825892491	MMSIZDWXSWCTMT-UHFFFAOYSA-N	323.360	1.446	50	20	DDGD	
CCN(CCO)NC(=O)CCc1ncc(-c2ccccc2)o1	823841874	MHHKDVABLTWNSK-UHFFFAOYSA-N	303.362	1.620	50	20	DDGD	
CN(NC(=O)N[C@H]1CCN(C(C)(C)C)C1=O)c1ccccc1	827076499	QTIMWQGBPIKRSF-ZDUSSCGKSA-N	304.394	1.736	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)[C@H]1C[C@H]2CC[C@H]1C2	825535032	YHZDZQVPFAELHK-SNIKSBKOSA-N	309.410	1.567	50	20	DDGD	
OB(O)c1ccc(CN[C@@H]2CCOc3ccc(F)cc32)c(F)c1	585037197	UMUVTQWDHJNULY-OAHLLOKOSA-N	319.116	1.258	50	20	DDGD	
CCc1cnc(C=NNC(=O)CNC(=O)OC(C)(C)C)s1	497126591	HXGFFFUBHZRWQH-UHFFFAOYSA-N	312.395	1.680	50	20	DDGD	
CN(C)c1nccc(CNC(=O)/C(C#N)=C/c2ccc(O)cc2)n1	490977191	SOSYBGHWLXDNKM-UKTHLTGXSA-N	323.356	1.472	50	20	DDGD	
O=C(c1ccc(B(O)O)cc1)N1CCC[C@H](Cc2ccccc2)C1	584941181	GPEGKMPWBJQLLG-MRXNPFEDSA-N	323.201	1.461	50	20	DDGD	
COc1ccc(OCC(=O)NNC(=O)NOCC2CCC2)cc1	824021954	FPOKLTDBPAECKN-UHFFFAOYSA-N	323.349	1.136	50	20	DDGD	
C#CCn1ccnc1C=NNC(=O)NCCc1cccs1	491264372	GHLQCQAXZBAXBJ-UHFFFAOYSA-N	301.375	1.454	50	20	DDGD	
COc1ncc(/C=C\C(=O)NNC(=O)NC2CCCCC2)cn1	492649695	PRVXWIFUNYCAMQ-FPLPWBNLSA-N	319.365	1.162	50	20	DDGD	
CCOC(=O)[C@@H](C(=O)NNc1ncnc2ccsc12)C(C)C	821026586	ZGNPAPYJYZPEOQ-SNVBAGLBSA-N	322.390	1.970	50	20	DDGD	
CCc1sc(C(=O)NNC(=O)COc2nc(C)no2)cc1C	735979931	PNSQEAIFJUZAAL-UHFFFAOYSA-N	324.362	1.150	50	20	DDGD	
C[C@@H](OCC1CC1)C(=O)NNc1ccccc1S(C)(=O)=O	732304871	XQPLIVIYISBESZ-SNVBAGLBSA-N	312.391	1.348	50	20	DDGD	
OCCCCc1ccc(NCc2ccc(B(O)O)cc2F)cc1	585038687	DGWFELGWKPWDDZ-UHFFFAOYSA-N	317.169	1.433	50	20	DDGD	
OB(O)c1ccc(CNc2cccc3c2OCCC3)c(F)c1	585031652	WQXBWNWLQLMSNI-UHFFFAOYSA-N	301.126	1.443	50	20	DDGD	
C=CCNC(=O)c1ccc(NC(=O)NNC(=O)OCC)cc1	494471210	PFXNEWMTMNNYGZ-UHFFFAOYSA-N	306.322	1.385	50	20	DDGD	
O=C(C[C@@H]1CCc2ccccc2C1)NNC(=O)NCC1CC1	732553224	MBDNGVVKJUVORR-CYBMUJFWSA-N	301.390	1.922	50	20	DDGD	
CC(C)(C)OC(=O)Nc1cccc(C(=O)NNc2nc[nH]n2)c1	495752130	FXGJOLNNBZMTPO-UHFFFAOYSA-N	318.337	1.909	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)c1c[nH]c(C(N)=O)c1)c1ccccc1	732132928	KXRSMKQLGKKAAA-GFCCVEGCSA-N	314.345	1.068	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C	496765965	ZGXPGCVDDJGVIL-VHSXEESVSA-N	316.402	1.228	50	20	DDGD	
CC(C)[C@H]1CN(C(=O)/C(C#N)=C/c2cnn(C)c2)CCS1	491102251	HHCAKUIJXQVTKD-YGLIYXGISA-N	304.419	1.927	50	20	DDGD	
C[C@H](NC(=O)NNc1ncc(F)cc1F)c1nnnn1C1CC1	838569512	WUVXRQXUVLKCSV-LURJTMIESA-N	324.295	1.069	50	20	DDGD	
O=C1C[C@H](C(=O)NNc2cc(Cl)ccn2)[C@@H]2CCCC[C@H]2N1	831795088	XALVZIJLHRPYBX-SDDRHHMPSA-N	322.796	1.873	50	20	DDGD	
CCOC(=O)CCN(Cc1cccnc1)S(=O)(=O)CCl	830235251	FYMLIHAQAYDYPZ-UHFFFAOYSA-N	320.798	1.363	50	20	DDGD	
COc1ccc(N2CCC(=NNC(=O)c3ncon3)CC2)cc1	901286568	UGLMHWZBPRDCOD-UHFFFAOYSA-N	315.333	1.464	50	20	DDGD	
CC(C)C#CC(=O)NNc1c(F)cc(C(=O)NC2CC2)cc1F	830837427	LCOWLAJJUMZEAE-UHFFFAOYSA-N	321.327	1.960	50	20	DDGD	
CCc1c(C(=O)NNc2ccc(Br)nc2)cnn1C	732836312	GDXYVFWORQNADM-UHFFFAOYSA-N	324.182	1.897	50	20	DDGD	
COCC1(O)CCN(C(=O)[C@]2(C)C[C@H]2Br)CC1	907148484	BXXZTVSOACIDQT-MWLCHTKSSA-N	306.200	1.160	50	20	DDGD	
COC(=O)N(C)NC(=O)[C@H]1CC(c2cc(C)ccc2C)=NO1	908113987	ZSMPGNNNBPROTG-CYBMUJFWSA-N	305.334	1.526	50	20	DDGD	
CON1CCC(=NNC(=O)[C@@H](C)CN2CCCCCC2)CC1	834934560	OFRXZAAIIVWBFA-AWEZNQCLSA-N	310.442	1.628	50	20	DDGD	
CCC[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)C1CCCC1	838777007	CWGNBEMMNRHKFC-CYBMUJFWSA-N	307.398	1.723	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)NC[C@@H]1C[C@H]2CC[C@H]1C2	836268526	LSRJQPVSOLUYGH-SRVKXCTJSA-N	303.366	1.275	50	20	DDGD	
COc1nc(C)cc(C)c1CNC(=O)NNC(=O)C1CCC1	732245141	RASSRGRTBLCQGV-UHFFFAOYSA-N	306.366	1.338	50	20	DDGD	
C[C@@H](CN1CCCCCC1)C(=O)NN=Cc1ccc(CO)o1	739413327	OLPIHKBHLCCFDY-ZDUSSCGKSA-N	307.394	1.734	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)CCc1ccc([C@H]2C[C@H]2C)o1	731852602	CNIYTMWEICYDEK-SKDRFNHKSA-N	316.361	1.828	50	20	DDGD	
CCCCC(COC)=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	736438504	NMMMMTKAJRGRFK-UHFFFAOYSA-N	316.365	1.789	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)NCCc2cccs2)CCCCO1	837367597	SDSDCSLYACFTJD-AWEZNQCLSA-N	311.407	1.580	50	20	DDGD	
C[C@H]1COCCN1CCNC(=O)NNc1c(F)cccc1F	735759891	IFLIHZZLALEXAW-JTQLQIEISA-N	314.336	1.312	50	20	DDGD	
CCO[C@@H]1C[C@H](NS(=O)(=O)CCl)[C@H]1Oc1ccccc1	831139758	FMYFSYHBTOYFKR-YNEHKIRRSA-N	319.810	1.727	50	20	DDGD	
OB(O)c1ccc(CNc2ccccc2N2CCCCC2)o1	585012100	MIECSFWHHSUDBW-UHFFFAOYSA-N	300.167	1.562	50	20	DDGD	
C[C@@H]1CCN(C(=O)[C@]2(C)C[C@H]2Br)CC[S@]1=O	907742603	NEBFBEMGJSBUEH-GZWQJFPBSA-N	308.241	1.529	50	20	DDGD	
CCC(CC)[C@H](O)CNC(=O)NNC(=O)c1ccccc1C	732236547	ZMEKSZTVMKZEJP-CQSZACIVSA-N	307.394	1.736	50	20	DDGD	
C[C@@H](C#N)C(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1	735836490	HQLNTKCEEAWXAZ-NWDGAFQWSA-N	311.341	1.914	50	20	DDGD	
CCC[C@H](OC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)OCC	837970331	BNCZGCZCMJHVES-WHGQRRHOSA-N	305.334	1.602	50	20	DDGD	
CC(C)N(C[C@@H](O)COc1ccccc1)S(=O)(=O)CCl	831299548	PQLHCHHFLGQJMP-GFCCVEGCSA-N	321.826	1.663	50	20	DDGD	
Cc1cn(C)nc1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F	839462839	RLDKZDRUWNNLES-JTQLQIEISA-N	320.324	1.096	50	20	DDGD	
C[C@H]1CCC(C)(C)N1CC(=O)NNC(=O)c1ccc(C#N)cc1	839615286	NIWGUJMTFZQOKK-LBPRGKRZSA-N	314.389	1.582	50	20	DDGD	
CC(C)C[C@H](C(N)=O)C(=O)NNc1ccc(C(F)(F)F)nn1	839713223	QEPGGRKHROKBRB-SSDOTTSWSA-N	319.287	1.086	50	20	DDGD	
CN(CCC#N)c1ccc(C=NNC(=O)c2cnccn2)cc1	916663668	GXCFWWKQEYEQML-UHFFFAOYSA-N	308.345	1.590	50	20	DDGD	
COC(=O)c1cc(NNC(=O)C2(O)CCCCC2)ccc1F	837035820	CJDMYZRGPSDTOU-UHFFFAOYSA-N	310.325	1.751	50	20	DDGD	
CCN(Cc1ccccc1)S(=O)(=O)NCCCSC#N	916978880	HATGKNYFLPCPTH-UHFFFAOYSA-N	313.448	1.947	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1ccc(O)c(O)c1	916296380	JFRHWKQAKZVYAT-UHFFFAOYSA-N	316.313	1.636	50	20	DDGD	
COc1cc(C=NNC(=O)CC(F)(F)F)cc([N+](=O)[O-])c1O	917551926	VTZFLGNPUJVBLP-UHFFFAOYSA-N	321.211	1.712	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NN=C1CCN(c2nccs2)CC1	842559200	ZWPLVCBXCUXMKQ-PWSUYJOCSA-N	308.407	1.641	50	20	DDGD	
CSCC1(CCNS(=O)(=O)CBr)CC1	849426582	RTTXPLHKFLJGHG-UHFFFAOYSA-N	302.259	1.792	50	20	DDGD	
Cc1cc(C=NNC(=O)CCCNC(=O)OC(C)(C)C)nn1C	841630687	BALXCRUXGNESCI-UHFFFAOYSA-N	323.397	1.484	50	20	DDGD	
CC1(C)Cc2cccc(C(=O)NNC(=O)[C@@H]3CCCCO3)c2O1	847056830	BFFAHLCJVHGWAF-ZDUSSCGKSA-N	318.373	1.730	50	20	DDGD	
C[C@H]1CC(=NNC(=O)CSc2nc3ccccc3n2C)CO1	842528465	JGICTTJIVJOEKM-JTQLQIEISA-N	318.402	1.946	50	20	DDGD	
O=C(COCC1CC1)NNc1ncc(Br)cn1	848320178	LSHYHFWSJUHHBW-UHFFFAOYSA-N	301.144	1.109	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F	843650864	IAZUZJLQYSBBKB-DJFWLOJKSA-N	324.327	1.641	50	20	DDGD	
O=C(NNC(=O)C1SCCCS1)c1ccc(Cl)nc1	841382150	SGZUNPVSFOANDT-UHFFFAOYSA-N	317.823	1.692	50	20	DDGD	
COc1cc(C2(C(=O)NN(C)C[C@@H](C)O)CCC2)ccc1C	910165024	GCRHPYMOFNJUHU-CYBMUJFWSA-N	306.406	1.769	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)/C=C/C2CCOCC2)cc1	846372350	SIUTXXRSRFLZBP-QPJJXVBHSA-N	318.373	1.828	50	20	DDGD	
COc1ccnc(NNC(=O)c2c(C(F)(F)F)n[nH]c2C)n1	746586717	JKNZCXYNKRETGH-UHFFFAOYSA-N	316.243	1.292	50	20	DDGD	
O=C(NNc1ccccc1Cl)N[C@H]1CNCCC1(F)F	842006704	WSLVQZCOIDDKQV-JTQLQIEISA-N	304.728	1.963	50	20	DDGD	
CC(=NNC(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1	915907254	UQUVTCWCKBHXFP-UHFFFAOYSA-N	320.356	1.881	50	20	DDGD	
CCOC(=O)C1(C(=O)NNC(=O)c2ccc(C)o2)CCCC1	843819590	XEWCOJCHIFCDGH-UHFFFAOYSA-N	308.334	1.473	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1	842556351	AOGFUFCWGBLZMP-KOLCDFICSA-N	306.322	1.442	50	20	DDGD	
Cc1ncoc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	747348583	SOUVDGLMKRKGOU-SECBINFHSA-N	307.281	1.351	50	20	DDGD	
COCCNCCNC(=O)NNc1ccc(C(C)(C)C)cc1	841967686	FIXWYRZJHPPDKK-UHFFFAOYSA-N	308.426	1.846	50	20	DDGD	
Cn1cc(CCC(=O)NNC(=O)c2ccc(Cl)cc2O)cn1	918362956	ZEVGHMBQRAQFMJ-UHFFFAOYSA-N	322.752	1.173	50	20	DDGD	
C[C@H](Oc1ccccc1C(F)(F)F)C(=O)NN(C)C[C@@H](C)O	910165214	HUHLPKCGFGQNPL-ZJUUUORDSA-N	320.311	1.817	50	20	DDGD	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccccc1OC1CCC1	843650588	DZQRKADFPIKPII-YPMHNXCESA-N	318.373	1.804	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@@]2(C)C[C@H]2Br)c1	912978887	XIGBFIVJNAJERZ-KCJUWKMLSA-N	317.208	1.991	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)NCC1(N)CCCCC1	841924402	SEJCDHZBYLHOKN-UHFFFAOYSA-N	304.394	1.601	50	20	DDGD	
O=S(=O)(CBr)N[C@@H]1COc2cc(F)ccc2C1	849461717	YIRBEHXMIMUYAQ-VIFPVBQESA-N	324.171	1.401	50	20	DDGD	
C[C@H](O)CN(C)NC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	910161045	QVRBHJCULJWKCT-UJNFCWOMSA-N	302.296	1.551	50	20	DDGD	
CC(C)O[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ncccn2)C1(C)C	841582150	JYLGKSCWEGUQQH-GHMZBOCLSA-N	321.381	1.013	50	20	DDGD	
CCc1ccc(C#CC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1	843973176	XFEKXSCBJZFLKQ-IUODEOHRSA-N	300.358	1.173	50	20	DDGD	
NCCC[C@H](NC(=O)NNC(=O)C1CCC1)c1ccccc1	841997155	MBQFFHZGUBTXDO-AWEZNQCLSA-N	304.394	1.597	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCC(C)(C)OC)cc1	845009995	BMQYBXRGQPHHPE-UHFFFAOYSA-N	309.366	1.453	50	20	DDGD	
CCOC(=O)/C(C#N)=C\NCc1cccc(S(C)(=O)=O)c1	840725422	GCGIPGWQFMDKHG-BENRWUELSA-N	308.359	1.150	50	20	DDGD	
COc1cccc(C(=O)NCC(=O)NN(C)c2ccccc2)c1	920861743	KHADEJITCIJDPP-UHFFFAOYSA-N	313.357	1.593	50	20	DDGD	
COc1ccc(NC(=O)NN=C[C@@H](OC)[C@H]2CCOC2)cc1	841641137	TZPHNCXMOHJVLT-SMDDNHRTSA-N	307.350	1.854	50	20	DDGD	
CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(C)c1	847503383	LEUOLFGIWSHBPI-QMMMGPOBSA-N	311.769	1.780	50	20	DDGD	
CN(C)c1cc(NC(=O)NNC(=O)CCCN)ccc1Cl	926204953	YXDCJHFJDDIRNC-UHFFFAOYSA-N	313.789	1.298	50	20	DDGD	
COc1cc(C(C)=NNC(=O)C(=O)NC2CC2)ccc1SC	747611015	ICMMDEPGKOOJNH-UHFFFAOYSA-N	321.402	1.536	50	20	DDGD	
NC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)C1	842247254	FRYOLIWEMSKSMQ-RKDXNWHRSA-N	324.312	1.469	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)c1ccc(C2CC2)nc1O	929428210	CXYOBCNDXRBDLQ-UHFFFAOYSA-N	308.407	1.572	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2COC[C@@H]2C)cc1C	925992175	QEQLUDJHWQLEQB-GXTWGEPZSA-N	321.377	1.048	50	20	DDGD	
COc1ccc(OC(C)(C)C(=O)NNc2cnnn2C)cc1	857270239	UOBRAVVHZGLKEM-UHFFFAOYSA-N	305.338	1.124	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc2sc(C)nc2cc1OC	756317091	IIUBJYHDYLSDJO-UHFFFAOYSA-N	324.362	1.412	50	20	DDGD	
CCC(=NNC(=O)[C@H](C)CN1CCCCC1)c1ccn(C)n1	758095029	DWKRZJGYJDRDLR-CYBMUJFWSA-N	305.426	1.772	50	20	DDGD	
COCC[C@@H](C)NC(=O)NNc1cccc(C(=O)OC)c1C	853608720	YLVBYXFAFYDSRC-SNVBAGLBSA-N	309.366	1.833	50	20	DDGD	
CCNC(=O)CN(CC)C(=O)NC[C@@]1(C)C[C@H]1Br	856901156	SYVSYSHZOOCUIX-BXKDBHETSA-N	320.231	1.328	50	20	DDGD	
C[C@@]1(C(=O)NNC(=O)CC2CC2)CC(c2ccccc2)=NO1	857274411	YUTWLEROTRSHHE-INIZCTEOSA-N	301.346	1.517	50	20	DDGD	
Cc1cc(Cl)ccc1NNC(=O)CN1CCC(=O)NC1=O	928338983	DUUPUPXQCVJTEC-UHFFFAOYSA-N	310.741	1.033	50	20	DDGD	
CC(C)S(=O)(=O)CC(=O)NC[C@@]1(C)C[C@@H]1Br	857403558	SSJOTIWRSQWRMM-WCBMZHEXSA-N	312.229	1.099	50	20	DDGD	
O=C(NNc1ncccc1F)[C@@H]1CCCC[C@@H]1N1CCCC1=O	854416026	OOBMVVCMEDHQOS-YPMHNXCESA-N	320.368	1.845	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)[C@@](C)(O)c2ccc(F)cc2)n1	929716153	PIZOSOVILXIYTG-HNNXBMFYSA-N	304.325	1.583	50	20	DDGD	
CCC(=NNC(=O)c1ccnc(N(C)C)c1)c1nccn1C	755710380	YGWILPKILPCQAJ-UHFFFAOYSA-N	300.366	1.425	50	20	DDGD	
O=C(C[C@@H]1CCCCO1)NNC(=O)c1ccc2c(c1)OCO2	755037649	CATFZLMVFZSHNS-NSHDSACASA-N	306.318	1.136	50	20	DDGD	
O=C(NC[C@H]1CCN1Cc1ccccc1)NNc1cccnn1	852701626	DPAOABDNUZLERY-CQSZACIVSA-N	312.377	1.377	50	20	DDGD	
CC(C)(CO)CCNC(=O)NC[C@@]1(C)C[C@@H]1Br	856959797	XQNDFYPRTQFFJN-JOYOIKCWSA-N	307.232	1.868	50	20	DDGD	
CN(Cc1cn(C)nn1)C(=O)[C@H](Br)C(C)(C)C	855851196	JFFOVSSIXLOPQP-VIFPVBQESA-N	303.204	1.583	50	20	DDGD	
O=C(NNC(=S)NCC1CCC1)c1nc2cnccc2s1	855089773	GAULPBDGSBNFID-UHFFFAOYSA-N	321.431	1.600	50	20	DDGD	
CN1CC[C@H](C(=O)NNC(=O)c2cccnc2)c2ccccc21	750716016	WBJFXTQNMYRXLO-AWEZNQCLSA-N	310.357	1.466	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)CC(F)(F)F)C(C)(C)CN(C)C	754372979	KEKDWTQYILDPMC-QMMMGPOBSA-N	312.336	1.246	50	20	DDGD	
COC(=O)CSCCNC(=O)NNc1ccc(Cl)cn1	852070880	WRWPQFFYNKYXLX-UHFFFAOYSA-N	318.786	1.267	50	20	DDGD	
Cc1ccccc1[C@H]1CCN(C(=O)NNC(=O)c2cn[nH]c2)C1	858703924	JIPHLHSJNZDCOG-LBPRGKRZSA-N	313.361	1.562	50	20	DDGD	
COC(=O)c1nc(=NC[C@@]2(C)C[C@@H]2Br)cc[nH]1	856787228	MUPXDGXVENQYJM-WRWORJQWSA-N	300.156	1.271	50	20	DDGD	
O=C(Cc1cc(Cl)cc2c1OCC2)NNc1cnccn1	758166119	SLLUDMSSHLQQRG-UHFFFAOYSA-N	304.737	1.751	50	20	DDGD	
O=C(NNc1cc(F)cc(Cl)c1)[C@H]1CCS(=O)(=O)C1	855619344	IOECZAYPNSUATB-ZETCQYMHSA-N	306.746	1.357	50	20	DDGD	
CCCN(CC)c1ccc(C(=O)NNC(=O)c2cc[nH]n2)cn1	855358550	OBNFOMWJESGLKY-UHFFFAOYSA-N	316.365	1.116	50	20	DDGD	
COc1cccc(CNC(=O)NNc2ccc(C)nn2)c1C	852700135	KLXJKQDFHXQYBN-UHFFFAOYSA-N	301.350	1.928	50	20	DDGD	
Cc1ccc(NNC(=O)[C@H]2COCCN2CC(F)F)cc1F	856230703	ZGNNCPMDBGQQJD-GFCCVEGCSA-N	317.311	1.543	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN(C)C[C@@H]2CC2(C)C)cc1	852773048	UZDPEKCRFDESNT-AWEZNQCLSA-N	303.406	1.734	50	20	DDGD	
CC(C)n1cc(NC(=O)NNC(=O)c2cccc(C#N)c2)cn1	756826515	IDPKAOKVRICYCF-UHFFFAOYSA-N	312.333	1.802	50	20	DDGD	
O=C(NNc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC12CCOCC2	855622828	MRUATUGNVLPDAN-JTQLQIEISA-N	309.297	1.994	50	20	DDGD	
CCC(CC)[C@H](O)CNC(=O)NNC(=O)c1cc(C)cs1	858706434	VYPWDOQOBGQWAQ-LLVKDONJSA-N	313.423	1.798	50	20	DDGD	
O=C(Cn1ccc2ccccc21)NNC(=O)N1CC[C@H]2C[C@@H]2C1	852068088	LQPSNOSCAXLFRS-UONOGXRCSA-N	312.373	1.724	50	20	DDGD	
COc1ccc(CC(=O)NC[C@]2(C)C[C@H]2Br)nc1	857387720	MBQQTQGGFUGWCK-YPMHNXCESA-N	313.195	1.922	50	20	DDGD	
C[C@H](NC(=O)NC[C@@]1(C)C[C@H]1Br)c1nc[nH]n1	856955091	VQPCKNYMPFUDLR-NYNCVSEMSA-N	302.176	1.338	50	20	DDGD	
CCCOc1ccc(CCC(=O)NNc2cnnn2C)cc1	857271310	HXNFZMOKUBDMDE-UHFFFAOYSA-N	303.366	1.680	50	20	DDGD	
COCCC(=NNC(=O)c1ccc(O)cc1)C1CCOCC1	764886419	REFLZMYPDXAWHR-UHFFFAOYSA-N	306.362	1.941	50	20	DDGD	
Cc1csc(C(=O)NNC(=O)[C@H]2CSCCS2)c1	862478547	JKATYFBFBVMEOC-SECBINFHSA-N	302.446	1.666	50	20	DDGD	
COc1c(C(=O)NN[C@@H](C)C(F)(F)F)cccc1[N+](=O)[O-]	862318691	WDIUVFGZUCJGFZ-LURJTMIESA-N	307.228	1.789	50	20	DDGD	
CC[C@](C)(O)C(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	935681294	QSDIQRNMVNFCCA-XPTSAGLGSA-N	314.769	1.416	50	20	DDGD	
CCN(C(C)=O)c1nc(C=NNC(=O)c2cn[nH]c2)cs1	863155965	GEEIDOVCHNLQDA-UHFFFAOYSA-N	306.351	1.003	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)C(=O)Nc1c(F)cccc1F	764065846	DGRAYBNMNKWEMT-UHFFFAOYSA-N	311.288	1.241	50	20	DDGD	
Cc1nc(CC(=O)NNC(=S)Nc2ccccn2)cs1	768585688	QGXGIHURZKRJDN-UHFFFAOYSA-N	307.404	1.407	50	20	DDGD	
C[C@H](C(=O)NNC(=O)C(C)(C)C)n1ccc(C(F)(F)F)n1	864889214	PXUFOENFMUOLKM-SSDOTTSWSA-N	306.288	1.656	50	20	DDGD	
CC(C)(CCl)CS(=O)(=O)N1C[C@H]2[C@H](N)CCC[C@H]2C1	866757808	GJYGQWZLPMSEAF-QJPTWQEYSA-N	308.875	1.640	50	20	DDGD	
CC(C)[C@H]1C[C@@H](C(=O)NNC(=O)NCC(F)(F)F)CCO1	935802836	PVLYNRHOASXCDZ-DTWKUNHWSA-N	311.304	1.330	50	20	DDGD	
CO[C@H]1CCC[C@H](CC(=O)NNC(=O)Cc2cc(C)[nH]n2)C1	869016792	QPNQSKXFENIMAX-AAEUAGOBSA-N	308.382	1.003	50	20	DDGD	
C[C@@H](C(=O)NNc1ccc(F)c(Cl)c1)[C@H](C)S(C)(=O)=O	863081943	BTBCJATWQHTRJE-SFYZADRCSA-N	322.789	1.991	50	20	DDGD	
CCOC(=O)N[C@H](C(=O)NNc1nc2ccccc2[nH]1)C(C)C	768501938	OFXVELVUEJCIEG-LBPRGKRZSA-N	319.365	1.777	50	20	DDGD	
CC(C)C(=O)N1CCCC[C@@H]1C(=O)NN[C@@H](C)C(F)(F)F	862308616	BYSGDBYHNVICDH-VHSXEESVSA-N	309.332	1.595	50	20	DDGD	
CNC(=O)NNS(=O)(=O)c1ccc(SC)c(Cl)c1	766362419	HHZIGZJLNYYCTR-UHFFFAOYSA-N	309.800	1.184	50	20	DDGD	
Cc1nn2c(C=NNC(=O)c3cccn3C)c(C)nc2s1	765563017	IDUASNWSMGPDMJ-UHFFFAOYSA-N	302.363	1.510	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)NNCC(F)(F)C(F)(F)F)cn1	863101618	AHQOVYZEMUSVPW-KRXBUXKQSA-N	323.225	1.145	50	20	DDGD	
C[C@@]1(CNC(=O)c2csc(CO)n2)C[C@@H]1Br	869356440	HVHSEYOLWGSWMV-XVKPBYJWSA-N	305.197	1.539	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNCC(F)(F)C(F)(F)F)n1	863091679	ZZJZMYUVMZLUAH-UHFFFAOYSA-N	300.231	1.318	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)c1cc(C)sn1	769863782	IGHFOSVAJZXFJZ-UHFFFAOYSA-N	320.374	1.333	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCC(=O)[C@@H](C)C2)cc1	763263591	IPRHCCYHTIDRDX-STQMWFEESA-N	318.373	1.527	50	20	DDGD	
C=CCC1(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CCC1	1116744976	ZXJSHMVMLCDXOO-UHFFFAOYSA-N	302.378	1.796	50	20	DDGD	
Cc1cccc(NNC(=O)N[C@@H]2CCN(c3ccccn3)C2)n1	875419982	NGIIQMWXKIIIRA-CYBMUJFWSA-N	312.377	1.690	50	20	DDGD	
Cc1cc(C(=O)O)cc(S(=O)(=O)N2CC=C(C#N)CC2)c1F	871935125	RLIQGEMQCFFWBB-UHFFFAOYSA-N	324.333	1.677	50	20	DDGD	
COc1ccnc(NNC(=O)C(=O)Nc2ccc(C)cc2C)n1	773724321	NSAAQDLWWLHKRI-UHFFFAOYSA-N	315.333	1.184	50	20	DDGD	
CCOc1ccc(CNC(=O)NN(C)C(=O)OC)cc1OC	875061054	VPSGVESQCJMWTJ-UHFFFAOYSA-N	311.338	1.506	50	20	DDGD	
COCCOCC(=O)NN=C1CCCC[C@@H]1N1CCCCC1	872401584	AUKITQDLCZRFCW-HNNXBMFYSA-N	311.426	1.550	50	20	DDGD	
O=C(NNc1nc2ccccc2[nH]1)[C@H]1CCCN1c1ncccn1	870213374	XXTMKOKVPGWZAE-CYBMUJFWSA-N	323.360	1.465	50	20	DDGD	
CCNC(=O)CCC(=O)NNc1ccccc1OC(F)(F)F	779207308	PTPNUXWITJPJDR-UHFFFAOYSA-N	319.283	1.945	50	20	DDGD	
CC(C)CS(=O)(=O)CC(=O)OC[C@H](C)CBr	770344267	SFPDANGPWMRDPL-SECBINFHSA-N	315.229	1.631	50	20	DDGD	
O=C(NNC(=O)c1ccc(-c2nc[nH]n2)cc1)NC1CCCC1	771290949	WEYGWZSCBBPNJG-UHFFFAOYSA-N	314.349	1.358	50	20	DDGD	
COc1ccccc1NC(=S)NNC(=O)CSCC#N	873768126	VPWOIYNECGDIRK-UHFFFAOYSA-N	310.404	1.270	50	20	DDGD	
CCCn1cc(C=NNC(=O)Nc2ccc(N(C)C)cc2)nn1	872354019	JTUVLJDVZAARRF-UHFFFAOYSA-N	315.381	1.910	50	20	DDGD	
Cc1ccncc1[C@@H](C)NC(=O)NNC(=O)CC(F)(F)F	771441093	PHHBVQVOEDOXLN-MRVPVSSYSA-N	304.272	1.734	50	20	DDGD	
COCCOCC(=O)NN=C1CN(Cc2ccccc2)C[C@@H]1C	872401761	IKVHYMJQNRJZAS-AWEZNQCLSA-N	319.405	1.274	50	20	DDGD	
N#CSCCCNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1	773589496	WWAJUKYRRFRRQO-CQSZACIVSA-N	317.414	1.756	50	20	DDGD	
C[C@@H](NC(=O)CC(C)(C)C)C(=O)NNC(=O)NC1CCCC1	778609250	LSQLEQOHRYOGSG-SNVBAGLBSA-N	312.414	1.200	50	20	DDGD	
C#CCN1CCC[C@H](NS(=O)(=O)CC(C)(C)CCl)C1	885508809	LVJNKQYULQXXJM-LBPRGKRZSA-N	306.859	1.268	50	20	DDGD	
O=C1NCCc2cc(OS(=O)(=O)CCCCl)ccc21	882202334	BJHAMDPASYWRPB-UHFFFAOYSA-N	303.767	1.310	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1csc2c1CCCC2	771939228	MSOAUFDXNSDOBD-VIFPVBQESA-N	324.402	1.730	50	20	DDGD	
Cn1cc(C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)ccc1=O	771589763	GKOJSXATHZBMRC-UHFFFAOYSA-N	306.253	1.190	50	20	DDGD	
O=C(NNC(=O)N1CCC2(CCCCC2)C1)c1cccnn1	883851416	ROHKMTLNQVYFOR-UHFFFAOYSA-N	303.366	1.487	50	20	DDGD	
COCCCNC(=O)NNC(=O)c1cc(C)n([C@H](C)C2CC2)n1	777372231	OXJHDWVSLCFOSN-LLVKDONJSA-N	323.397	1.143	50	20	DDGD	
CCN(CCC(=O)NC)C(=O)c1c(C)nn(CCCl)c1C	888264650	OOZRNRVSAQTCSB-UHFFFAOYSA-N	314.817	1.337	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H]1C[C@@H](c2ccccc2)OC1=O	887148927	BYVNQJDKXSAGAC-KGLIPLIRSA-N	314.341	1.242	50	20	DDGD	
CC[C@@H](C)n1nc(C(=O)NNc2ccnc(N(C)C)n2)cc1C	778506566	PPOFTSOYRNAJLT-SNVBAGLBSA-N	317.397	1.775	50	20	DDGD	
CCOc1cccc([C@@H]2C[C@H]2NC(=O)NNC(=O)C(C)C)c1	775774402	PWTHWKPBIUIOQM-UONOGXRCSA-N	305.378	1.928	50	20	DDGD	
CC(C)[C@@H]1CC(=NNC(=O)CNC(=O)c2ccco2)CCO1	776766227	IJQMDNRCTYBEGB-ZDUSSCGKSA-N	307.350	1.317	50	20	DDGD	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NNC(=O)c1cccnn1	882057475	DVKVYLLKLMFAKY-SCRDCRAPSA-N	320.393	1.612	50	20	DDGD	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc3c(c2)CCC=C3)n1	788266934	JCELZQGFGQZARD-UHFFFAOYSA-N	324.384	1.921	50	20	DDGD	
COCCCNC(=O)NN=Cc1cc(Cl)cc2c1OCC2	782901667	OBDURDYLGLJDKM-UHFFFAOYSA-N	311.769	1.945	50	20	DDGD	
O=S(=O)(CBr)N1CCc2ccc(O)cc2CC1	782452051	BIMXAGZOQOZKDK-UHFFFAOYSA-N	320.208	1.475	50	20	DDGD	
CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(F)ccc1F	788893559	FWVDTFOHJUIWOI-ZETCQYMHSA-N	300.261	1.068	50	20	DDGD	
CC(C)N1CCC(C(=O)NNC(=S)NC(C)(C)C)CC1	899995168	KINJPFFXLWSIAS-UHFFFAOYSA-N	300.472	1.401	50	20	DDGD	
CC(=O)N[C@@H](CC(=O)N1CC=C(C#N)CC1)c1cccs1	780689678	JRIKOAYEEYAEEJ-ZDUSSCGKSA-N	303.387	1.998	50	20	DDGD	
Cc1cc(C)cc(OCC(=O)NNC(=O)Cc2cnc(C)o2)c1	899939160	IQMZHBVVNFHMCL-UHFFFAOYSA-N	317.345	1.369	50	20	DDGD	
N#Cc1ccc(NNC(=O)CSC[C@@H]2CCCCO2)nc1	899662255	QDLQMPMLMCJTLK-LBPRGKRZSA-N	306.391	1.699	50	20	DDGD	
Cc1cnc(COCC(=O)NNc2oc(C(C)C)nc2C#N)o1	795825487	UVHQRHUDBRIWJE-UHFFFAOYSA-N	319.321	1.626	50	20	DDGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)Cn2ccc3ccccc32)O1	799932440	PHTZFLDGSYHZQF-HSMVNMDESA-N	315.373	1.602	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)Nc2cccc([N+](=O)[O-])c2)n1	794750627	AEGCQBCUMRMNSS-UHFFFAOYSA-N	315.289	1.765	50	20	DDGD	
Cc1cccc(OCCC(=O)NNC(=O)c2cccc(C)n2)c1	794076690	ZAJKSFLQRLDWDI-UHFFFAOYSA-N	313.357	1.929	50	20	DDGD	
N#Cc1cccc(NNC(=O)[C@@H]2COCCN2C2CCCC2)c1	793705949	UMFSIRYQAUHCSP-INIZCTEOSA-N	314.389	1.645	50	20	DDGD	
Cc1ccc(C(=O)NNc2nnc(C)c(O)n2)c(F)c1Cl	790494659	JWOWWKQUKLLONP-UHFFFAOYSA-N	311.704	1.743	50	20	DDGD	
CCC(CC)NC(=O)C(=O)NN=C1CCCC12CCOCC2	799882342	NHUYGTPJTJDJRV-UHFFFAOYSA-N	309.410	1.744	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)[C@H](C)N2CCc3ccccc32)n1	794077276	MIUUJNFYLMDNPT-ZDUSSCGKSA-N	324.384	1.602	50	20	DDGD	
C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)c1ccncc1	799430671	HDYWWJGSNKMPNH-YGRLFVJLSA-N	313.313	1.071	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)Cn1cc([C@@H](C)O)nn1	794948080	HNBQZVVOAAUKIK-GFCCVEGCSA-N	317.393	1.907	50	20	DDGD	
O=C(NCC(F)(F)F)NNC(=O)c1ccc(F)c(F)c1F	798315813	QOHJFZYFYMHLRD-UHFFFAOYSA-N	315.173	1.610	50	20	DDGD	
O=C(CCO)NN=Cc1ccc(Br)cc1Cl	1318923802	NEFSNEJCKHYQNU-UHFFFAOYSA-N	305.559	1.935	50	20	DDGD	
COC(=O)C(=O)NNC(=O)NC[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C	1318883480	ZACSPYIMVYZNSY-SDDRHHMPSA-N	313.398	1.198	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)N[C@@H]2CCCC[C@@H]2N(C)C)n1	1318505562	YKPGYPYFKHNUHH-OLZOCXBDSA-N	306.414	1.592	50	20	DDGD	
CC(=O)c1cc(NC(=O)C(=O)NNc2ccccn2)ccc1F	1329079367	FTHXIIYXXACNFN-UHFFFAOYSA-N	316.292	1.505	50	20	DDGD	
CN(C)[C@@H]1CCCC[C@H]1NC(=O)NNc1nc2ccccn2n1	1321828210	BDWLYWXMVGEUTM-VXGBXAGGSA-N	317.397	1.228	50	20	DDGD	
CSCCCNC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br	1328931672	XALKDTNOYLYZMG-LDYMZIIASA-N	323.256	1.145	50	20	DDGD	
COC(=O)N(C)NC(=O)CCc1nc(-c2ccccc2)no1	1322252612	XLZHSBYYZVMXNZ-UHFFFAOYSA-N	304.306	1.399	50	20	DDGD	
Cc1cc(C)n2ncc(C(=O)NN[C@H](C)C(F)(F)F)c2n1	1330225235	GRRFWEVGVTVKMM-MRVPVSSYSA-N	301.272	1.531	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)N2CC(C)(C)CC[C@H]2CO)cn1	1336635252	UVKBSBFBEBEKMI-BLXFFLACSA-N	302.378	1.337	50	20	DDGD	
O=C(CCl)Nc1ccc(-n2ncc3c(O)ncnc32)cc1	1253967775	BREIXXUVOHQAQB-UHFFFAOYSA-N	303.709	1.698	50	20	DDGD	
C#CCCCC(=O)NNC(=O)Nc1cnn(CC(F)(F)F)c1	1334094227	ONARXHCGELORIM-UHFFFAOYSA-N	317.271	1.402	50	20	DDGD	
CC[C@H](F)C(=O)NNC(=S)Nc1ccc(OC)c(F)c1	1337220424	VKRUMLMIYAACNP-QMMMGPOBSA-N	303.334	1.900	50	20	DDGD	
CN1CCN(C(=O)CCNC(=O)c2cccc(CCl)c2)CC1	1262608906	XRFUAJRVDRJXPB-UHFFFAOYSA-N	323.824	1.319	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)c2ccncc2)c(C(F)(F)F)c1	1342844211	XNGRNFBPVMESPV-UHFFFAOYSA-N	312.251	1.514	50	20	DDGD	
COc1ccc2c(c1)[C@@H](C(=O)NNc1ccn(C)n1)CCC2	1346490500	CWHHVWMFVGIWOB-ZDUSSCGKSA-N	300.362	1.992	50	20	DDGD	
O=C(O)CCOc1cccc(C=NNC(=O)C2CCOCC2)c1	1349838585	ISOSXAYLUMPVPS-UHFFFAOYSA-N	320.345	1.417	50	20	DDGD	
O=C(NNc1cc(F)ccc1F)c1csc(-c2nn[nH]n2)c1	1606855817	IPWXUNNNRIOWPF-UHFFFAOYSA-N	322.300	1.963	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1Cc2cccnc2C1	1606855983	MCKGNUICDLERHP-GFCCVEGCSA-N	321.344	1.120	50	20	DDGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)s2)cn1	1600946400	MFMCYFTUEUIRQK-RUDMXATFSA-N	302.315	1.725	50	20	DDGD	
CSSCCNC(=O)c1cccc(-c2nn[nH]n2)c1C	1605381194	RCJMJICHYLKAMR-UHFFFAOYSA-N	309.420	1.916	50	20	DDGD	
O=C(O)[C@@H]1CCN(S(=O)(=O)CCCCl)[C@@H]2CCCC[C@@H]12	1601829297	MLYRGWFCOCXSJC-QJPTWQEYSA-N	323.842	1.910	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)c2n[nH]c3c2CCCC3)c1	1602447358	CXLQFRHAFFCJOM-UHFFFAOYSA-N	300.318	1.744	50	20	DDGD	
O=C(O)CSCCC(=O)NNc1ccc2ccccc2n1	1602098533	DLRWOECJTLYDFP-UHFFFAOYSA-N	305.359	1.886	50	20	DDGD	
O=C(Oc1ccc([N+](=O)[O-])c(C(=O)O)c1)c1cn2c(n1)CCC2	1602621254	FNOQBJSEIFCPKK-UHFFFAOYSA-N	317.257	1.655	50	20	DDGD	
CSC[C@H](C)NC(=O)NNc1ccc(C(=O)O)cc1F	1610382463	GNFLOEUTZUVKLH-ZETCQYMHSA-N	301.343	1.902	50	20	DDGD	
CC[C@@H]1COCC1=NNC(=O)[C@@H]1CCCO[C@@H]1c1nccn1C	1549317112	TYBVGIHBKZNWLU-BZPMIXESSA-N	320.393	1.416	50	20	DDGD	
Cc1nc(C)c(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)s1	1549318779	RDOPKMCEWCYLCY-NWDGAFQWSA-N	308.407	1.073	50	20	DDGD	
O=C(NN=C1CCCN2CCCC[C@@H]12)c1cn2c(n1)CCCC2	1551375642	ZIVBXDVYSFNYHC-HNNXBMFYSA-N	315.421	1.954	50	20	DDGD	
CCNc1ccc(C)cc1C(=O)NNC(=O)C1CCNCC1	1577901963	FIBLUAIEIGJCKL-UHFFFAOYSA-N	304.394	1.187	50	20	DDGD	
C[C@H]1NCCn2c(C(=O)NNc3cnc4ccccc4n3)ccc21	1576893626	ANAMGWGBPTXOCT-LLVKDONJSA-N	322.372	1.852	50	20	DDGD	
CC(C)[C@@H](C(=O)O)C(=O)NNc1nnc(-c2ccccn2)s1	1588807579	BLTGZROFDLWSOR-SECBINFHSA-N	321.362	1.400	50	20	DDGD	
CC(C)[C@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](F)Cl	1847830099	DOMXUYRKTKBDBJ-NAKRPEOUSA-N	322.833	1.677	50	20	DDGD	
N[C@@H](CNC(=O)NNc1ncc(Cl)cn1)c1ccccc1	1580130629	ZVKYJUPHMRFKBV-NSHDSACASA-N	306.757	1.456	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)Nc1cc(F)c(C(=O)O)c(F)c1	1589693675	VRKKUPRSVNBQEF-UHFFFAOYSA-N	315.276	1.862	50	20	DDGD	
CCC(=O)NN=C1C[C@@H](C(=O)O)CN(C(=O)OC(C)(C)C)C1	1594712432	LLUXLNQLSARCOU-SECBINFHSA-N	313.354	1.210	50	20	DDGD	
O=C(NNc1ccc(-c2nn[nH]n2)cn1)[C@@H]1CCC(F)(F)C1	1593164783	OVGFMMMLVHPQOK-SSDOTTSWSA-N	309.280	1.140	50	20	DDGD	
C[C@@H]1O[C@H](C)C[C@@H]1NC(=O)NNc1cccc(-c2nn[nH]n2)c1	1590200355	PYSMRMJABDNMMC-PTRXPTGYSA-N	317.353	1.059	50	20	DDGD	
COc1ccc(CC(=O)NNc2cccc(F)c2C(=O)O)nc1	1599548963	UJCMDWDECZEDAS-UHFFFAOYSA-N	319.292	1.613	50	20	DDGD	
COC(=O)c1cc(NNC(=O)CCCCC(=O)O)ccc1F	1593882608	MQAKDZXBKOUDRI-UHFFFAOYSA-N	312.297	1.700	50	20	DDGD	
CNC(=O)/C(C#N)=C\c1ccc(C(=O)O)cc1Br	1598630849	SUAYRXPRXPRBQV-WTKPLQERSA-N	309.119	1.800	50	20	DDGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(N)=O)c1C	5674447	RJQLUFLHADGNIE-ZBQKXELDSA-N	319.361	1.075	50	20	DDGD	
Cc1noc(C)c1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	17329641	IEHWVGWSLIMIHE-UHFFFAOYSA-N	304.262	1.274	50	20	DDGD	
O=C(NNc1ccc(F)cc1F)c1sccc1-n1cnnn1	158105707	DSEAIIYPVDUHEV-UHFFFAOYSA-N	322.300	1.759	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2C)[nH]n1	152968984	YIKLHHBEOOFODD-UHFFFAOYSA-N	324.344	1.287	50	20	DDGD	
CCC1(C(=O)NNc2nccc(N3CCOCC3)n2)CCC1	155554786	WJBQUTAYXWUYRC-UHFFFAOYSA-N	305.382	1.337	50	20	DDGD	
N#Cc1ccc(NNC(=O)c2ccc(OCC(N)=O)cc2)cc1	155491067	OHJVMDHZHSZLOA-UHFFFAOYSA-N	310.313	1.179	50	20	DDGD	
C[C@@H](O)[C@@H]1CCN(S(=O)(=O)c2ccc(CCCl)cc2)C1	168257588	MGTXJQFTNWHMDG-DGCLKSJQSA-N	317.838	1.859	50	20	DDGD	
COc1ccc(CC(=O)NNC(=S)NC(C)(C)C)cc1F	8302555	FRESSXHQPWQSJF-UHFFFAOYSA-N	313.398	1.671	50	20	DDGD	
CCCNC(=O)CCCC(=O)NNC(=O)CCc1ccccc1	104878264	ZMWYLKBUGWSBQB-UHFFFAOYSA-N	319.405	1.463	50	20	DDGD	
O=C(COC[C@@H]1CCCO1)NNc1ccnc2ccccc12	106923359	GGAXAHJOYFXKNS-LBPRGKRZSA-N	301.346	1.874	50	20	DDGD	
CCC[C@@H](NC(N)=O)C(=O)N/N=c1/sc2ccccc2n1C	177970953	RZJXUIVJAONIEN-JIOFHVLHSA-N	321.406	1.009	50	20	DDGD	
COCCNC(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	64899999	NOKOFKQGOHTJPX-SECBINFHSA-N	315.757	1.084	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cn[nH]c2C)c1C	67986281	IGAYPSYAAMUNCI-GFCCVEGCSA-N	316.361	1.563	50	20	DDGD	
O=C(CCCc1nc2ccccc2[nH]1)NNC(=O)c1cccnc1	29053456	CZXVBOQKWKIJDK-UHFFFAOYSA-N	323.356	1.742	50	20	DDGD	
O=C(CC[C@@H]1CCCCO1)NNC(=O)Cc1ccccc1F	110310257	BBZWYXWLLQNQAN-ZDUSSCGKSA-N	308.353	1.865	50	20	DDGD	
O=C(NNC(=O)[C@H]1C[C@H]1C1CC1)c1cc(-c2ccccc2)n[nH]1	175857543	XQMFBAFDWSMTHN-STQMWFEESA-N	310.357	1.884	50	20	DDGD	
O=C(/C=C/c1cncc(F)c1)NNC(=O)NC1CCCCC1	170916294	HTXVFWUXBAGSCL-VOTSOKGWSA-N	306.341	1.897	50	20	DDGD	
CCN(CC)C(=O)CCCC(=O)NNC(=O)CC1CCCC1	171567701	BHUYVOWGXBLBNJ-UHFFFAOYSA-N	311.426	1.753	50	20	DDGD	
CN(CCNC(=O)NNc1ccccn1)Cc1ccc(F)cc1	175944487	CQYRKOPKGBJZRW-UHFFFAOYSA-N	317.368	1.979	50	20	DDGD	
O=C(NNc1ccnc(F)c1)c1ccc(N2CCCC2)nn1	182538812	FSIHJBLKEMDYLW-UHFFFAOYSA-N	302.313	1.368	50	20	DDGD	
O=C(NNc1ncc(F)cn1)c1ccc(C(F)(F)F)nc1	122420765	USRDGEUYBGDOSU-UHFFFAOYSA-N	301.203	1.786	50	20	DDGD	
COc1cc(C(=O)NNC(=O)c2ccncc2)ccc1Cl	121367536	RNHUICWVYMPWNH-UHFFFAOYSA-N	305.721	1.818	50	20	DDGD	
COc1cccc(NNC(=O)Cc2ccc(OC)c(F)c2)n1	180700587	PTPIOYJIVRVVNT-UHFFFAOYSA-N	305.309	1.924	50	20	DDGD	
C=C[C@@](C)(CCOC)C(=O)NNC(=O)COCc1ccccc1	188942440	XVVCUAGYWQYIQZ-KRWDZBQOSA-N	320.389	1.579	50	20	DDGD	
CN(NC(=O)c1ccc(COc2ccccc2C#N)o1)C(N)=O	181083296	JQLOUQWCWNMBBR-UHFFFAOYSA-N	314.301	1.386	50	20	DDGD	
O=C(CCNC(=O)c1cccs1)NNc1ccnc(F)c1	182514771	CJZFYXUHHIKTLC-UHFFFAOYSA-N	308.338	1.545	50	20	DDGD	
CO[C@@H]1[C@H]2C[C@@H]3CN(S(=O)(=O)CBr)[C@@H]1[C@H]3C2	375679725	OCSREXOSODOXDH-SQXHDICFSA-N	310.213	1.024	50	20	DDGD	
O=C(NNc1cncc(Cl)n1)NC1CCN(C2CC2)CC1	121980775	UBQGDOINPHQBDQ-UHFFFAOYSA-N	310.789	1.383	50	20	DDGD	
CSCCCCCCNC(=O)NNC(=O)Cc1ccncc1	183270855	UGJVPHVQLCZUMV-UHFFFAOYSA-N	324.450	1.878	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)c1c(O)cccc1F	185724316	RODMUSCFACLAET-UHFFFAOYSA-N	306.268	1.674	50	20	DDGD	
CC(=O)CCc1ccc(OCC(=O)NNc2cccnn2)cc1	77032783	IJQSOUKKRZCVBK-UHFFFAOYSA-N	314.345	1.520	50	20	DDGD	
CCCc1cc(NC(=O)NNC(=O)c2ccncc2)n(C)n1	183721142	YTHCEAVMTFYUPZ-UHFFFAOYSA-N	302.338	1.234	50	20	DDGD	
Cn1nc(C(=O)NNC(=O)c2ccccc2)cc1OC(F)F	184870424	XEAXJGKNVUVQLY-UHFFFAOYSA-N	310.260	1.096	50	20	DDGD	
COC(C)(C)CNC(=O)NNC(=O)c1ccc2ccccc2n1	75310913	AMDCZQAKRFZQGQ-UHFFFAOYSA-N	316.361	1.604	50	20	DDGD	
CS(=O)(=O)CC1(CC(=O)NNc2cc(Cl)ccn2)CC1	182944712	GQZWGESPGAYNRD-UHFFFAOYSA-N	317.798	1.393	50	20	DDGD	
O=C(CC[C@@H]1CCOC1)NNc1nnc(-c2ccccn2)s1	188179437	VUMFHIOMTQKYQW-SNVBAGLBSA-N	319.390	1.860	50	20	DDGD	
CCN1CCO[C@@H](C(=O)NNc2ncc(Cl)cc2Cl)C1	132883841	DUXCYDRGWZTJRE-SNVBAGLBSA-N	319.192	1.552	50	20	DDGD	
C=CCC1(C(=O)NNC(=O)COc2ccc(C#N)cc2)CCC1	190471262	OQRKCDZPTDHLBB-UHFFFAOYSA-N	313.357	1.831	50	20	DDGD	
Cc1ccc(Br)c(C(=O)NNC(=O)C(C)(C)O)c1	192930026	UURXTTYPHLAJJE-UHFFFAOYSA-N	315.167	1.289	50	20	DDGD	
C[C@@H](CBr)CN1CCC[C@H](N2CCOCC2)C1	382532206	SNXIZJAABRYKED-STQMWFEESA-N	305.260	1.814	50	20	DDGD	
CCc1nc(NC(=O)C(=O)NNc2ccnc(F)c2)sc1C	193414440	ONBJLELPKYRJQX-UHFFFAOYSA-N	323.353	1.630	50	20	DDGD	
CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)C2CC2)CC1	198244620	YIXOTPCEPUVBHT-UHFFFAOYSA-N	311.382	1.191	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)Nc1ccccn1	48348743	LHUFRXWUSSMSKJ-SNVBAGLBSA-N	318.308	1.841	50	20	DDGD	
CC(=O)CC(C)(C)CC(=O)NNC(=O)Cn1nc(C)cc1C	191665052	GQFXSPXXLUZGOF-UHFFFAOYSA-N	308.382	1.043	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)NCCCCCCO	192721118	GGCVFIIXJFHRIJ-UHFFFAOYSA-N	308.382	1.883	50	20	DDGD	
Cn1cccc1C(=O)NNC(=O)C(=O)c1ccc2c(c1)CCC2	194503631	BNGZRWAPTVGMSZ-UHFFFAOYSA-N	311.341	1.158	50	20	DDGD	
Cc1cc(=O)n(C)cc1NC(=O)NNc1cccc([N+](=O)[O-])c1	92927850	VFPRBOUBAXYLEX-UHFFFAOYSA-N	317.305	1.751	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1cccc(Cl)c1F	94120755	OSEQCPLMEBOAGI-UHFFFAOYSA-N	321.830	1.951	50	20	DDGD	
Cc1cnc(NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)s1	146366295	UCZDARCRHDPAAH-UHFFFAOYSA-N	321.318	1.826	50	20	DDGD	
O=S(=O)(NCC(F)(F)CO)c1ccc(CCCl)cc1	231780861	GHAVBYHTTWDGLE-UHFFFAOYSA-N	313.753	1.374	50	20	DDGD	
C=CCNC(=S)NNC(=O)C1=Cc2cc(F)ccc2OC1	90367760	IRBXYWDFCHJPTI-UHFFFAOYSA-N	307.350	1.283	50	20	DDGD	
C[C@@H]1CCC[C@@H]1CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	249068229	ZSQDYMCDVQSWHD-UPJWGTAASA-N	302.440	1.305	50	20	DDGD	
O=C(CNc1ccccc1)NN=Cc1cc([N+](=O)[O-])ccc1O	252627796	SBRBFEMLSQHVQZ-UHFFFAOYSA-N	314.301	1.863	50	20	DDGD	
O=C(NNC(=O)C1CCC1)N[C@H]1CCCN(c2ccccc2)C1	265290873	YIFWLJSYNNLMIH-AWEZNQCLSA-N	316.405	1.786	50	20	DDGD	
O=C(CC1CCOCC1)NNC(=O)Cn1cnc2ccccc21	265251013	AYZMQLFBCRDGQJ-UHFFFAOYSA-N	316.361	1.000	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)N[C@H](CO)CC(C)C	272260347	BADUAHMTLLVQRL-NSHDSACASA-N	309.366	1.046	50	20	DDGD	
CN(NC(=O)NCC1(S(C)(=O)=O)CCC1)c1ccccc1	279739183	XAASRNOHTWRKSK-UHFFFAOYSA-N	311.407	1.304	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(OC)c(OC)c(OC)c1	271446032	TUWPLNJMASPCAL-UHFFFAOYSA-N	311.338	1.019	50	20	DDGD	
Cc1c(NNC(=O)NCCC[C@@H](C)CO)cccc1[N+](=O)[O-]	270514431	LVSNYXKOOVPMDL-SNVBAGLBSA-N	310.354	1.938	50	20	DDGD	
CCS(=O)(=O)c1ccc(NC(=O)NNC(=O)C2CC2)cc1	274083099	LZNKAYQIDDYILU-UHFFFAOYSA-N	311.363	1.043	50	20	DDGD	
CSCCNC(=S)NNC(=O)[C@H]1CCCc2ccccc21	271478243	VVEQBJHFCOELCK-ZDUSSCGKSA-N	323.487	1.965	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1cccc2[nH]ccc12	274037086	DWYAHCIKGYIMLM-UHFFFAOYSA-N	302.334	1.300	50	20	DDGD	
CCOC(=O)C(C)(C)C(=O)NNc1nc(-c2ccncc2)no1	270654975	JNVPKYNMXHPWJW-UHFFFAOYSA-N	319.321	1.164	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@H]2CC(=O)c3ccccc32)n1	276571042	RRYQSSGKISWPOT-LBPRGKRZSA-N	312.329	1.607	50	20	DDGD	
CSc1cccc(NC(=O)C(=O)NNC(=O)C2CCC2)c1	274126637	ULODGPFEUQFLLF-UHFFFAOYSA-N	307.375	1.295	50	20	DDGD	
CCOC(C)(C)CNC(=O)NNC(=O)COc1cccc(C)c1	275851421	XEDZDGJHFSDZJV-UHFFFAOYSA-N	323.393	1.519	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H]2CCc3[nH]ncc3C2)c1	270212909	RDIQCFSXRFUMPH-SECBINFHSA-N	304.325	1.806	50	20	DDGD	
COC(=O)C1(CNC(=O)NNC(=O)Nc2ccccc2C)CC1	274994061	OUAKDCNBYBDWQA-UHFFFAOYSA-N	320.349	1.284	50	20	DDGD	
CC(C)C(C)(C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	275873534	KEHMSJLVHQVFQZ-ZDUSSCGKSA-N	306.362	1.656	50	20	DDGD	
O=C(NNc1ncccc1F)[C@H]1CC(=O)N(C2CCCC2)C1	375939545	BNDZGJFLVHBYKG-JTQLQIEISA-N	306.341	1.455	50	20	DDGD	
O=C(NNc1cc(Cl)ccn1)N[C@H]1CCc2c[nH]nc2C1	378497723	OTWMNTXDMFBTGW-JTQLQIEISA-N	306.757	1.642	50	20	DDGD	
CC[C@](C)(OC)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	281264543	PEOJXQAGLUTABL-INIZCTEOSA-N	321.377	1.204	50	20	DDGD	
Cc1ccc(OCC(=O)NNC(=O)N[C@H](C)C(F)(F)F)cc1	288915540	UDVZFIUTFXFWDQ-SECBINFHSA-N	319.283	1.655	50	20	DDGD	
CC(C)(C)C(=O)Cn1cc(C(=O)NNc2ncccc2F)nn1	286083654	UICZQZJAQYCBKR-UHFFFAOYSA-N	320.328	1.184	50	20	DDGD	
COC(=O)[C@H]1CC[C@H]1C(=O)NNc1ccc2c(O)nccc2c1	285595913	FJRBJVLKGFDPKH-OLZOCXBDSA-N	315.329	1.583	50	20	DDGD	
CC[C@H](C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)c1ccccc1	298064554	AXHSUOGKSQBWDG-GJZGRUSLSA-N	324.446	1.673	50	20	DDGD	
CCC[C@@H](CNC(=O)NNC(=O)c1ccc(C#N)cc1)OC	296380583	PEIBWDKGEZFUKK-ZDUSSCGKSA-N	304.350	1.317	50	20	DDGD	
Cc1c(CC(=O)NNC(=O)[C@H]2CCCCO2)cccc1[N+](=O)[O-]	295396330	LXSFWSRLCNBIPY-CYBMUJFWSA-N	321.333	1.162	50	20	DDGD	
CC(C)OCc1nc([C@H](C)NC(=O)NNc2ncccn2)no1	291047081	HSPMBAQCBQNDJK-VIFPVBQESA-N	321.341	1.172	50	20	DDGD	
Cc1cccc(C(=O)NNC(=O)c2coc3c2C(=O)CCC3)n1	295215839	VEPGXCXWOLQGFK-UHFFFAOYSA-N	313.313	1.577	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)[C@H]1CCCCO1)c1ccccc1	295552614	MBNHQVSHDHELAD-CJNGLKHVSA-N	306.362	1.265	50	20	DDGD	
Cc1nnc(COCC(=O)NNc2ccc(C#N)cc2)s1	802825503	QVPOHCHSGKJEJI-UHFFFAOYSA-N	303.347	1.378	50	20	DDGD	
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2n[nH]c3ccc(Cl)cc23)O1	295654651	RYMJAFGDICWFMS-CPCISQLKSA-N	322.752	1.545	50	20	DDGD	
CC(C)CC(=O)NNC(=O)CCCNc1ccc([N+](=O)[O-])cc1	298194249	FLXHMIKEWDNRHY-UHFFFAOYSA-N	322.365	1.980	50	20	DDGD	
Cc1ccccc1NCCC(=O)NNC(=O)[C@H]1CCCCO1	295823277	YIHDKZDYJOBWMO-CQSZACIVSA-N	305.378	1.514	50	20	DDGD	
C#Cc1ccccc1CC(=O)NNC(=O)c1ccc2c(c1)OCO2	809949966	IFZMIPXACKVKJP-UHFFFAOYSA-N	322.320	1.400	50	20	DDGD	
COc1ccc(-c2cc(C(=O)NNC(=O)NC3CC3)n[nH]2)cc1	804028989	VTNGHYVCIHSGQM-UHFFFAOYSA-N	315.333	1.192	50	20	DDGD	
CC(=NNC(=O)[C@H]1COc2ccccc2O1)c1cn(C)c(C)n1	800805103	PJFGNPBIGLIJEV-OAHLLOKOSA-N	314.345	1.409	50	20	DDGD	
COc1ccnc(NNC(=O)N[C@@H]2c3ccccc3O[C@H]2C)n1	291824076	MLPOYWNTBUXGCK-ZANVPECISA-N	315.333	1.634	50	20	DDGD	
CCc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1cc(C)[nH]n1	801933575	AESYSMXFNWTQDN-UONOGXRCSA-N	312.373	1.845	50	20	DDGD	
CCOCC(=O)NN=C1C(=O)Nc2cccc(C(F)(F)F)c21	800812556	HJJFNOUWMIEAPF-UHFFFAOYSA-N	315.251	1.514	50	20	DDGD	
CSCc1cccnc1C(=O)NNC(=O)c1cccn1C	809972524	WMLUFRZNZPCKNO-UHFFFAOYSA-N	304.375	1.358	50	20	DDGD	
CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)NNc1nnc[nH]1	293791308	CNEBLWAATRVSMG-ZDUSSCGKSA-N	312.374	1.189	50	20	DDGD	
CCOc1ccc(NNC(=O)Cn2c(C)cc(C)nc2=O)cc1	294228644	FPINDEVIODJFCC-UHFFFAOYSA-N	316.361	1.402	50	20	DDGD	
CC(C)(C)OCCCC(=O)NNc1cc(Cl)nc(N)n1	803097346	WUAAPDJDGOVSJS-UHFFFAOYSA-N	301.778	1.751	50	20	DDGD	
O=C(N=c1cc[nH]cc1)NNC(=O)c1cc2ccccc2nc1O	802024860	XFKJACUPHFLQJX-UHFFFAOYSA-N	323.312	1.224	50	20	DDGD	
O=C(NNc1ncncc1F)Nc1cccnc1N1CCCC1	291988402	ZTLYFUBDRWEWCY-UHFFFAOYSA-N	317.328	1.760	50	20	DDGD	
CCCN1C[C@H](CNS(=O)(=O)CCCCCl)CC1=O	817142791	YQRNKNNPEICTHY-NSHDSACASA-N	310.847	1.183	50	20	DDGD	
COc1cc(C)nc(NNC(=O)NCc2cc(C)nc(C)c2)n1	817171261	TVSZZIVFGPRRND-UHFFFAOYSA-N	316.365	1.632	50	20	DDGD	
CO[C@H](C)[C@@H](C)NC(=O)NNC(=O)c1cc2c(s1)CCC2	811959547	QQRPJURWLSSOKK-RKDXNWHRSA-N	311.407	1.604	50	20	DDGD	
CO[C@@H]1CCC[C@@H](C(=O)NNC(=S)NCCSC)C1	814413894	VPYDVUIONIVZRK-NXEZZACHSA-N	305.469	1.050	50	20	DDGD	
CCCN1C[C@H](CNC(=O)NNc2ccc(C)cn2)CC1=O	817173404	QQZQLVFJEWNFEV-LBPRGKRZSA-N	305.382	1.275	50	20	DDGD	
COc1cc(C)nc(NNC(=O)[C@@H](O)c2ccc(Cl)cc2)n1	813469888	ONYKEDNYTQEFCM-LBPRGKRZSA-N	322.752	1.624	50	20	DDGD	
CC(=NNC(=O)Cn1cnc2ccccc21)c1csnn1	814729385	OJPSILLETHMWBT-UHFFFAOYSA-N	300.347	1.428	50	20	DDGD	
CN(NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CC1	819650275	XIZCMQWNABWDQX-CYBMUJFWSA-N	304.306	1.213	50	20	DDGD	
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NN(C)[C@H](C)CO	823966066	YQNGPGLYGMUBBE-IUODEOHRSA-N	305.378	1.305	50	20	DDGD	
CC(CC1CC1)=NNC(=O)COc1ccccc1-c1nn[nH]n1	820235312	RRUGJYGECRWCFO-UHFFFAOYSA-N	314.349	1.538	50	20	DDGD	
CC(C)(C)OC(=O)NCC(=O)NN=C1CCOC2(CCC2)C1	497073333	JDSRGHWLHHEDLJ-UHFFFAOYSA-N	311.382	1.716	50	20	DDGD	
C=C[C@@H]1OCC[C@H]1C(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	827053829	UXHUHJXSDIKSQJ-MFKMUULPSA-N	307.306	1.638	50	20	DDGD	
C[C@@H](CSc1ccc(F)cc1)C(=O)NN(C)[C@H](C)CO	823945994	BXCZCXQGMPHWHQ-WDEREUQCSA-N	300.399	1.898	50	20	DDGD	
CCO[C@H]1C[C@H](NCC(=O)NNC(=O)C(C)C)C1(CC)CC	828936251	LTBXNTKTYHSDEQ-STQMWFEESA-N	313.442	1.363	50	20	DDGD	
COc1ccnc(NNC(=O)NC[C@H](OC)C2CCCCC2)n1	823679193	QRBQMADETBHCRA-LBPRGKRZSA-N	323.397	1.707	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(C)CC(=O)NCc1ccccc1	491163388	WKSYECUEUDFNLE-WYMLVPIESA-N	301.346	1.205	50	20	DDGD	
C[C@@H]1[C@H](C(=O)NNC(=O)c2cc3ccccc3o2)CCN1C	826688555	AJFIXBIEPBONEO-ZYHUDNBSSA-N	301.346	1.534	50	20	DDGD	
COC(=O)N[C@@H](C)C(=O)NNc1cccc(C(F)(F)F)n1	494125823	XGHRMTUAXHWNCX-LURJTMIESA-N	306.244	1.288	50	20	DDGD	
C[C@@H](NC(=S)NNC(=O)c1cc2ncccc2o1)C1CC1	824446122	GSPXXBGDQQLLES-MRVPVSSYSA-N	304.375	1.735	50	20	DDGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NC[C@H](O)COCC1CC1	491047437	IUTIEMZXGOOORP-VFXTVZEFSA-N	316.357	1.203	50	20	DDGD	
Cc1cc(O[C@H](C)C(=O)NN(C)[C@H](C)CO)ccc1Cl	823970052	BNUBTECOOSGBSY-GHMZBOCLSA-N	300.786	1.760	50	20	DDGD	
C#C[C@@H](NC(=O)NNC(=O)[C@@H]1CCCCO1)c1ccccc1	827249039	FZNASWAHODGANU-KGLIPLIRSA-N	301.346	1.260	50	20	DDGD	
Cc1nn(C)cc1/C=C(/C#N)C(=O)Nc1ccc(C(=O)O)cc1	490783198	NUXUVWWNYWCNSN-GHXNOFRVSA-N	310.313	1.972	50	20	DDGD	
C[C@@H]1CC(=NNC(=O)CCNC(=O)OC(C)(C)C)CN1C1CC1	495193457	WHDLFTMXLWTKNC-LLVKDONJSA-N	324.425	1.630	50	20	DDGD	
O=C(NNc1cc(F)c(F)cc1F)c1cc(-c2nn[nH]n2)c[nH]1	823280926	ILYMGPCFIQQQSE-UHFFFAOYSA-N	323.238	1.369	50	20	DDGD	
C[C@H]1CCC[C@H]1NC(=O)NNC(=O)CNC(=O)OC(C)(C)C	494555944	SJFWGGJEBWCRAH-VHSXEESVSA-N	314.386	1.030	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CCC2(CCCCC2)CC1	584938772	BPNAJJUPMVHNAN-UHFFFAOYSA-N	301.195	1.553	50	20	DDGD	
OB(O)c1cccc(CNCCc2ccccc2OC(F)F)c1	585037195	UMMXQNFDKXYRKZ-UHFFFAOYSA-N	321.132	1.300	50	20	DDGD	
C[C@]1(C(=O)NCCc2ccc(O)c(O)c2)C[C@H]1Br	907057933	TWEGIWUXUZOSTQ-YPMHNXCESA-N	314.179	1.930	50	20	DDGD	
C[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccc(C#N)cc1	825732945	ICBXOPOTHMYIMM-WDMOLILDSA-N	316.361	1.375	50	20	DDGD	
CC(=O)Nc1cncc(C(=O)NN=Cc2ccc(C(=O)O)o2)c1	825922681	ITFAHSMBJNJWBB-UHFFFAOYSA-N	316.273	1.095	50	20	DDGD	
Cn1ncc(C2CC2)c1C(=O)NNC(=O)c1cccc(C#N)c1	826089961	SMAZIGILDNDAPU-UHFFFAOYSA-N	309.329	1.244	50	20	DDGD	
C/C=C/C=C\C(=O)NNc1c(OC)cccc1S(C)(=O)=O	492569985	WNRFNLQRJIRDIW-IGTFLHFFSA-N	310.375	1.674	50	20	DDGD	
CCC(=NNC(=O)c1ncon1)c1ccc2c(c1)CCCO2	901290668	YRSSTLLPJUBHLJ-UHFFFAOYSA-N	300.318	1.939	50	20	DDGD	
CNC(=O)NNC(=O)c1ccsc1NC(=O)c1ccco1	731473479	XUMSLJYLDFZENE-UHFFFAOYSA-N	308.319	1.167	50	20	DDGD	
CCc1cccc(NC(=O)CNC(=O)NNC(=O)C2CCC2)c1	732459850	ZAZFGITWXPGNGB-UHFFFAOYSA-N	318.377	1.318	50	20	DDGD	
Cc1cc(C(=O)N2CC[C@@H](B(O)O)C2)c2c(C(C)C)noc2n1	585077704	TYYNIXGHVGJQCV-SNVBAGLBSA-N	317.154	1.344	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)COCC(F)(F)F)cc1F	837051932	SJCDPWNNLDFWGG-UHFFFAOYSA-N	324.230	1.634	50	20	DDGD	
C[C@H](CBr)COC(=O)/C(C#N)=C\c1cnn(C)c1	837972753	XOZHZCPAHCGKDH-GRXJFFANSA-N	312.167	1.901	50	20	DDGD	
CC(C)C(=O)NNC(=O)Nc1ccc(N2CCOC2=O)cc1	494468582	IWWWEGGPVUNSSS-UHFFFAOYSA-N	306.322	1.452	50	20	DDGD	
CC(C)c1ccc(NNC(=O)Cn2cnc([N+](=O)[O-])n2)cc1	837057489	YZAYKJCJTPQGJN-UHFFFAOYSA-N	304.310	1.453	50	20	DDGD	
CC(C)C(=O)NNC(=O)CCCCOc1cccc(C#N)c1	732054110	OPVMCGHHZMPLJE-UHFFFAOYSA-N	303.362	1.911	50	20	DDGD	
CN(CC(=O)NNC(=O)c1cccc2ccccc12)C(=O)O	737393915	ULFJYSVPHVZKNP-UHFFFAOYSA-N	301.302	1.211	50	20	DDGD	
O=C(CN1Cc2ccccc2C1=O)NNc1nccnc1Cl	734261119	UDIIYTUMLPKUGA-UHFFFAOYSA-N	317.736	1.229	50	20	DDGD	
C[C@H](C(=O)O)n1cccc1C=NNC(=O)Cc1ccccc1F	833406492	HBVMUCMMNNHLQM-LLVKDONJSA-N	317.320	1.966	50	20	DDGD	
CCOC(=O)[C@H](CC)C(=O)NNC(=O)c1cccc(Cl)c1	839457955	YAZYLBDXQVLNMJ-LLVKDONJSA-N	312.753	1.690	50	20	DDGD	
OB(O)c1ccc(CNc2ccccc2OC2CCCC2)o1	585012975	INLSSJSDFLPTOV-UHFFFAOYSA-N	301.151	1.893	50	20	DDGD	
Cc1cc(C)n(-c2ccc(C(=O)N3CC[C@@H](B(O)O)C3)cc2)n1	585071673	ZAFQKFIRCUUUTN-CQSZACIVSA-N	313.166	1.178	50	20	DDGD	
O=C(NNC(=O)c1cnc(-c2ccccc2)[nH]1)c1ccncc1	736064668	PTAVQQOUDLMDJK-UHFFFAOYSA-N	307.313	1.547	50	20	DDGD	
COc1cc(F)cc(NNC(=O)[C@@H]2C[C@H]2c2cncn2C)c1	830843172	UYMCHYIJEQLOQM-CHWSQXEVSA-N	304.325	1.815	50	20	DDGD	
O=C(O)NCCC(=O)NNc1ccnc2cc(Cl)ccc12	738658226	WVZUJLZSQWPOFV-UHFFFAOYSA-N	308.725	1.989	50	20	DDGD	
O=C(O)CCCN1CCC(=NNC(=O)Cc2ccccn2)CC1	739672496	KZVYYQXDIIYZRC-UHFFFAOYSA-N	318.377	1.057	50	20	DDGD	
Cc1ccccc1C(=O)NNC(=O)CCCn1ccccc1=O	735030144	FELSHVRPCHOIQE-UHFFFAOYSA-N	313.357	1.398	50	20	DDGD	
OB(O)c1ccc(CN[C@H]2CCCN(C3CCCCC3)C2)cc1	585021396	JYIBBTHJQANYNM-KRWDZBQOSA-N	316.254	1.253	50	20	DDGD	
NC(=O)c1cccc(C(=O)NNc2cnnc3ccccc23)c1	733809070	VEEHPAFGTJPREF-UHFFFAOYSA-N	307.313	1.486	50	20	DDGD	
COCCCOCC(=O)NN=c1sc2ccccc2n1C	588384684	MATABRIKGJGDRS-UHFFFAOYSA-N	309.391	1.225	50	20	DDGD	
Cc1cc(Br)cc(C(=O)NN(C)C(N)=O)c1C	831519801	PYKNGMRNHONIQE-UHFFFAOYSA-N	300.156	1.721	50	20	DDGD	
COc1ccc(NNC(=O)N[C@@H]2C[C@@H](C)n3ccnc32)nc1	836627094	HDTAWQIOYNAXNQ-MWLCHTKSSA-N	302.338	1.619	50	20	DDGD	
O=C(N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12)c1ccc(B(O)O)c(F)c1	584935774	XVLLJCUJTPKGQX-FDZNKFEOSA-N	317.169	1.060	50	20	DDGD	
CSc1cc(F)ccc1NC(=O)C(=O)NNC(=O)C(C)C	832352592	LMQBQHFSSDYBHF-UHFFFAOYSA-N	313.354	1.290	50	20	DDGD	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NCB(O)O	585061561	AABUTDLTDDWBIP-UHFFFAOYSA-N	316.600	1.575	50	20	DDGD	
O=C(c1cccc(B(O)O)c1)N1CC[C@H](Cc2ccccc2)C1	584953095	YTEPWMWFBVVJQN-OAHLLOKOSA-N	309.174	1.071	50	20	DDGD	
CC(C)(C)c1ccc(NNC(=O)C2(n3cnnn3)CC2)cc1	831899891	LPDSDSLUEUSMID-UHFFFAOYSA-N	300.366	1.603	50	20	DDGD	
CC(C)(CCNCc1ccc(B(O)O)cc1F)C(F)(F)F	585040999	BUMLLOSSWYRYIZ-UHFFFAOYSA-N	307.096	1.574	50	20	DDGD	
Cc1cc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(C)n1C1CC1	730577521	VTUYQTWTOWTUJM-GFCCVEGCSA-N	323.418	1.325	50	20	DDGD	
CCc1cccc2c1NC(=O)C2=NNC(=O)Cc1cccnc1	733075946	CTNQXEZNVZOFEC-UHFFFAOYSA-N	308.341	1.659	50	20	DDGD	
C[C@H]1CO[C@H](C)CN1CCNC(=O)[C@]1(C)C[C@H]1Br	912394590	UIYRIQQXOOKSLS-SBFPOUOMSA-N	319.243	1.385	50	20	DDGD	
COc1cc2c(cc1OC)C(=NNC(=O)C(C)(C)C)C(=O)N2	915968353	ZJHNEZPVNVABRW-UHFFFAOYSA-N	305.334	1.522	50	20	DDGD	
CCO[C@@H]1C[C@H](NCC(=O)NNC(=O)C(C)(C)C)C12CCC2	831314141	GHLCVUKYBHPOLV-NWDGAFQWSA-N	311.426	1.117	50	20	DDGD	
COc1cc(F)ccc1NNC(=O)[C@H]1CC(=O)N(C2CC2)C1	846643047	KRYIJLDKSZYGNK-VIFPVBQESA-N	307.325	1.288	50	20	DDGD	
C[C@@H](NC(=O)NNC(=O)C(C)(C)C)[C@@H]1C[C@H](C(=O)O)C1(C)C	848596132	OKSIORUPZLEDKY-KXUCPTDWSA-N	313.398	1.498	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)Cc2ccncc2)c2n[nH]cc2c1	747429732	QWYLLDCUZRRFBM-UHFFFAOYSA-N	309.329	1.270	50	20	DDGD	
C[C@H]1C[C@@H](C)N(CC(=O)NNC(=O)c2ccccc2Cl)C1	744404266	LYHWAZQYCGMCCJ-WDEREUQCSA-N	309.797	1.831	50	20	DDGD	
O=C(Cc1cnn(-c2ccccc2)n1)NNC(=O)C1CCCC1	915857150	NOISFGQAXBGIJQ-UHFFFAOYSA-N	313.361	1.147	50	20	DDGD	
CCN(CC)CCC(=O)NN=C(C)c1ccc2c(c1)OCO2	916354463	DXHHLAFTOSCXPB-UHFFFAOYSA-N	305.378	1.987	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@H](C)Cc1cncc2ccccc12	910147047	IUXMHLLZQHFLDS-CHWSQXEVSA-N	301.390	1.757	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1c(Cl)nc2ccccn12	843973335	KQQFLXGFHDNHLT-DTWKUNHWSA-N	322.752	1.174	50	20	DDGD	
CN(CC(=O)NNC(=O)C(C)(C)C)Cc1ccc(F)c(F)c1	744387010	UCWIELCEKQBTHC-UHFFFAOYSA-N	313.348	1.590	50	20	DDGD	
CC[C@@H](C(=O)NNC(=O)Cc1ccn(CC)n1)c1ccccc1	844386935	QDPLWJOHJAWLFD-OAHLLOKOSA-N	314.389	1.787	50	20	DDGD	
Cc1cc(CC(=O)NNc2nc(-c3cccnc3)no2)no1	746240860	BPSLLQUWHZLJRG-UHFFFAOYSA-N	300.278	1.114	50	20	DDGD	
O=C(NCC1CCNCC1)NNc1cc(F)c(F)c(F)c1	841924614	ZBJOFQGEHQQNJJ-UHFFFAOYSA-N	302.300	1.730	50	20	DDGD	
CCc1ccccc1OCC(=O)NN=C[C@]1(OC)CCOC1	841607271	TVOYFAXNJUNPAP-MRXNPFEDSA-N	306.362	1.535	50	20	DDGD	
CO[C@H]1CCCCC1=NNC(=O)COc1ccccc1C#N	915948436	LLBSVGZEQSWLEC-HNNXBMFYSA-N	301.346	1.998	50	20	DDGD	
COc1cc(CC(=O)NNC(=O)CC(F)(F)F)ccc1C	918364092	IXNHUCVMBCSNPK-UHFFFAOYSA-N	304.268	1.646	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)c1ncccn1	743312484	VKPJYBCCHKCNBW-UHFFFAOYSA-N	306.325	1.634	50	20	DDGD	
C[C@H]1C[C@@H](NC(=O)NNC(=O)CCOc2ccccc2)CS1	840416894	NODGUOMOMCVBKO-NWDGAFQWSA-N	323.418	1.680	50	20	DDGD	
Cc1nccc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)n1	918199985	LZXIQDGBWBQUKA-UHFFFAOYSA-N	314.345	1.242	50	20	DDGD	
CO[C@H](C=NNC(=O)c1c(C)nc2ccccn12)[C@H]1CCOC1	841606412	DTXLTVYSVXLFHC-QWHCGFSZSA-N	316.361	1.410	50	20	DDGD	
CC(=NNC(=O)N1CCOCC1)c1ccc([S@@](C)=O)cc1	746370886	RHAIOVHNGLAJJR-OAQYLSRUSA-N	309.391	1.190	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)c1cnc(Cc2ccccc2F)s1	910159042	HDROUKLNWZTMHM-SNVBAGLBSA-N	323.393	1.830	50	20	DDGD	
CCCc1nc(C)c(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)s1	843641400	CAPIFBQGWJTILS-NXEZZACHSA-N	311.407	1.590	50	20	DDGD	
CCc1c(C(=O)NN(C)C[C@@H](C)O)cnn1Cc1ccccc1	910170541	LUEZWYFSPYMYIB-CYBMUJFWSA-N	316.405	1.451	50	20	DDGD	
CC[C@@H](C(=O)NNc1ccc(CC(=O)OC)cc1)C(=O)OC	846376122	SKTVMFJEIVBYLY-LBPRGKRZSA-N	308.334	1.044	50	20	DDGD	
Cn1ncc2cc(C(=O)NNc3ccc(Cl)nc3)cnc21	747518052	YRFSAZPWCQUUFE-UHFFFAOYSA-N	302.725	1.774	50	20	DDGD	
COc1ccc(OCC(=O)NN=C[C@H](OC)[C@@H]2CCOC2)cc1	841607743	YDWJFZVQNAWSRY-DOMZBBRYSA-N	322.361	1.228	50	20	DDGD	
Cn1cnc2cc(CNC(=O)NNC(=O)C(C)(C)C)ccc21	924689819	ZEIPPBYQSJKPFO-UHFFFAOYSA-N	303.366	1.450	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=S)N[C@H](C)Cc1ccccc1	843276511	CEOABEIKQCOCRO-MBNYWOFBSA-N	321.446	1.538	50	20	DDGD	
C[C@H](Sc1nncn1C)C(=O)NNc1cccc(C#N)c1	748035384	YQWNHUHSTSJDHS-VIFPVBQESA-N	302.363	1.311	50	20	DDGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H](C)Cc1cnc[nH]1	848032896	MMIWZCKHWJATMO-LLVKDONJSA-N	301.350	1.750	50	20	DDGD	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(C(C)(C)C)oc1C	923882090	PRFDRVFAWAXCJV-SNVBAGLBSA-N	324.377	1.988	50	20	DDGD	
CNC(=S)N(C)NC(=O)COc1ccc2c(c1)CCCC2	854923363	SQCWFMQSPDDOJU-UHFFFAOYSA-N	307.419	1.412	50	20	DDGD	
CCC[C@H](CNC(=O)NNC(=O)c1ccccc1OC)OCC	858207774	MGQKUWUTGHNKER-GFCCVEGCSA-N	323.393	1.844	50	20	DDGD	
CC(C)[C@H](CNC(=O)NC[C@]1(C)C[C@H]1Br)C(=O)O	857101340	TZEROHVDWQGRAA-SBMIAAHKSA-N	321.215	1.816	50	20	DDGD	
Cc1ncc2n1C[C@@H](C(=O)NNc1ccnc(Cl)c1)CC2	855466446	NTTVKVVXADRASL-JTQLQIEISA-N	305.769	1.946	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cccc(CCC(F)(F)F)c1	757619869	VDHKURSYMBUSEK-UHFFFAOYSA-N	319.283	1.981	50	20	DDGD	
COCC(=O)NNC(=O)Nc1cc(C)nn1[C@H]1C[C@H]2CC[C@H]1C2	757910565	XSURRBROXHHHMU-SRVKXCTJSA-N	321.381	1.352	50	20	DDGD	
CN1C(=O)CC[C@H]1C(=O)NNc1cccc(Br)c1	752626387	JKNJKNDHDORSNV-JTQLQIEISA-N	312.167	1.513	50	20	DDGD	
C[C@H](Cc1cccc(Cl)c1)C(=O)NNC(=O)Cc1cc[nH]n1	755290471	PJPPTIYASAOGFQ-SNVBAGLBSA-N	320.780	1.632	50	20	DDGD	
CCCC(=O)N1CCC[C@H]1C(=O)NNc1ncc(Cl)cn1	857728882	CKFWCQADZQTUQE-JTQLQIEISA-N	311.773	1.364	50	20	DDGD	
CC(Cn1cncn1)=NNC(=O)COc1cc(C)cc(C)c1	853264869	UZGHHFQGNKOPGJ-UHFFFAOYSA-N	301.350	1.466	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)Nc2cnns2)cc1OC	755346239	DJZZSJVOCXVGTE-UHFFFAOYSA-N	323.334	1.022	50	20	DDGD	
CNC(=O)NN=Cc1ccc(OC)c(OCc2cccnc2)c1	920377456	DTTFCHWHDDRCKS-UHFFFAOYSA-N	314.345	1.932	50	20	DDGD	
Cn1ncc(C2CC2)c1C=NNC(=O)COc1ccccc1F	853265673	CLJMVFITPRNIMR-UHFFFAOYSA-N	316.336	1.966	50	20	DDGD	
Cn1ccc(C(=O)OC[C@@H](CBr)C2CC2)cc1=O	859507579	NETKZBBEGWJYJO-LLVKDONJSA-N	314.179	1.963	50	20	DDGD	
CC1CC(C#N)(C(=O)NNC(=O)Cn2ccc3ccccc32)C1	758223245	MBBYDGIXISKJKF-UHFFFAOYSA-N	310.357	1.729	50	20	DDGD	
Cc1ccc(C=NNC(=O)CCCNC(=O)C(C)(C)C)nn1	853408805	XJSVTYOXLHIDHJ-UHFFFAOYSA-N	305.382	1.178	50	20	DDGD	
CN1CCC[C@@H](c2cccc(C(=O)NNc3nc[nH]n3)c2)C1	857261588	SKBQEQIAWQSXOF-CYBMUJFWSA-N	300.366	1.371	50	20	DDGD	
C[C@@H]1[C@H](NC(=O)NNc2cc(F)ccc2F)CCS1(=O)=O	923442709	PCOCKAPADLRDKJ-GMSGAONNSA-N	319.333	1.167	50	20	DDGD	
Cc1cc(OCC(=O)NNC(=O)Nc2ccc(Cl)cc2)no1	750185635	SESSUWMNCRANBN-UHFFFAOYSA-N	324.724	1.868	50	20	DDGD	
Cc1conc1NC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br	857005003	IQZQHKUCZRRTSV-CPCISQLKSA-N	316.155	1.211	50	20	DDGD	
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NN=Cc1ccco1	853375130	CATZQODKQWXKSF-TZMCWYRMSA-N	302.334	1.631	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@H](CO)CC2CC2)C[C@H]1Br	856960845	UQGVBKWUVHWJTA-NQBHXWOUSA-N	319.243	1.868	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1ccco1)c1ccc(C)cc1O	750937235	TTYOKYMBMUHBIC-UHFFFAOYSA-N	315.329	1.564	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](C)OCc1cccc(OC)c1	854925480	HCBDTWYPHUWTQP-JTQLQIEISA-N	311.407	1.068	50	20	DDGD	
CN1CCCN(C(=O)NC[C@]2(C)C[C@H]2Br)CC1	856951271	SHVSSCVRTMHDPP-PWSUYJOCSA-N	304.232	1.507	50	20	DDGD	
COC(=O)[C@@H]1C[C@H](F)CN1C[C@@H](CBr)C1CC1	859290866	UCIGSNUPSDNJAO-VWYCJHECSA-N	308.191	1.993	50	20	DDGD	
CC(=NNC(=O)CCCNC(=O)C(C)(C)C)c1ccncn1	853408806	XLRGFQGSYRKEBO-UHFFFAOYSA-N	305.382	1.259	50	20	DDGD	
Cn1nncc1NNC(=O)Cc1cccc(OC(F)(F)F)c1	857273626	SORWTHVMDVRFGX-UHFFFAOYSA-N	315.255	1.400	50	20	DDGD	
Cc1ccc(-n2[nH]nnc2=NC[C@@]2(C)C[C@H]2Br)cc1	856786698	QSQGVGRWIFRXHU-DGCLKSJQSA-N	322.210	1.978	50	20	DDGD	
Cn1cc(/C=C(/C#N)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)cn1	855286188	MKZYDEMCIIIECY-SVSAJMPUSA-N	301.394	1.316	50	20	DDGD	
O=C(NNc1ncc(Cl)cn1)N[C@H]1CCc2c[nH]nc2C1	856878243	NGAWRKHIBUXKIT-VIFPVBQESA-N	307.745	1.037	50	20	DDGD	
CN(CCCCCO)C(=O)NC[C@]1(C)C[C@@H]1Br	856953827	CXCNOLLKJNHBFC-JQWIXIFHSA-N	307.232	1.964	50	20	DDGD	
CC(C[C@@H]1CCOC1)=NNC(=O)CNC(=O)c1cccs1	751524659	BECZOXSGUYPVHS-NSHDSACASA-N	309.391	1.397	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@@H](C[C@H]1CCCO1)C(F)(F)F	854928125	XOUDCFWBMJXRGE-HTQZYQBOSA-N	313.345	1.201	50	20	DDGD	
CC(C(=O)OCC(=O)NNC(=O)c1ccccc1)=C1CCCC1	754158280	DNLIOGOYXUZLNS-UHFFFAOYSA-N	316.357	1.881	50	20	DDGD	
CCc1oc(C(=O)OC)cc1S(=O)(=O)N1CC=C(C#N)CC1	759081718	PUERYVXQIJJCTH-UHFFFAOYSA-N	324.358	1.473	50	20	DDGD	
COC1CC(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)C1	858144692	SPDBPFPHJMTNIA-WHXUTIOJSA-N	310.325	1.165	50	20	DDGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CC12CCC2	759692526	OLMNBKCSBHQGCF-MFKMUULPSA-N	306.337	1.931	50	20	DDGD	
CCn1ccnc1C=NNC(=O)[C@H](C)CN1CCCCCC1	755589143	YYHOIBYCUCQQBE-CQSZACIVSA-N	305.426	1.865	50	20	DDGD	
CSC(C)(C)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	854223884	JJPFIUUUGGFDCG-VIFPVBQESA-N	314.382	1.882	50	20	DDGD	
O=C(NNC(=O)C1CCCC1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	754676280	QVJGXBDYJMTUDB-UPJWGTAASA-N	307.394	1.465	50	20	DDGD	
COCCN(C)NC(=O)Nc1ccc(Cc2nc(C)no2)cc1	933173142	VBBXFHFVFVEOHI-UHFFFAOYSA-N	319.365	1.584	50	20	DDGD	
CCC[C@H](O)C(=O)NNC(=O)Nc1cc(OC)ccc1Cl	935860077	JIWUSCBAXKNFHT-NSHDSACASA-N	315.757	1.662	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@H]2CCCN2C(C)C)o1	931120089	FMSNZAUUAUMANG-GFCCVEGCSA-N	305.382	1.986	50	20	DDGD	
CC(=NNC(=O)CNC(=O)c1cccs1)c1occc1C	767783138	PZLBQSCXESOJTQ-UHFFFAOYSA-N	305.359	1.920	50	20	DDGD	
C[C@@H](CCOc1ccccc1)C(=O)NNC(=O)c1cn[nH]c1	862472920	XMUYLWAYSAAITH-NSHDSACASA-N	302.334	1.276	50	20	DDGD	
Cn1c(/C(C#N)=C\c2cn(CC(=O)O)nn2)nc2ccccc21	768850022	XETCQKIMBABSRW-POHAHGRESA-N	308.301	1.314	50	20	DDGD	
CCN(C)C(=O)CNC(=O)NNc1nc2c(C)cccc2s1	868515662	OZBRHSUXCFHGEW-UHFFFAOYSA-N	321.406	1.709	50	20	DDGD	
CCCC(=O)N1CCC[C@H](C(=O)NNc2cccc(C)n2)C1	862523665	KAXKOUMBIZDUOK-ZDUSSCGKSA-N	304.394	1.872	50	20	DDGD	
COCCOc1ccccc1NC(=O)NNC(=O)C(C)(C)C	769984150	WWEXEPDPMFPPNG-UHFFFAOYSA-N	309.366	1.911	50	20	DDGD	
COCCCn1ccc(NC(=O)NN=c2cc[nH]c(C)c2)n1	860659086	QIBLMYIZPXCBJE-UHFFFAOYSA-N	304.354	1.194	50	20	DDGD	
Cn1nc2c(c1C(=O)NNC(=O)c1ccccc1F)CCCC2	764513243	HOCKRTQYBJBLFT-UHFFFAOYSA-N	316.336	1.513	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Nc1cnn(-c2ccccc2)c1	768546719	KTQZVVPVDLWDPP-UHFFFAOYSA-N	302.338	1.570	50	20	DDGD	
Cc1cc(C(=O)NN=Cc2c(C)nc3sc(C)cn23)n[nH]1	764796567	KDGLHQFTBOYOHR-UHFFFAOYSA-N	302.363	1.808	50	20	DDGD	
COc1cc(C(=O)NNCC(F)(F)C(F)(F)F)ccc1O	863100175	NVZWFHHPKKGOPB-UHFFFAOYSA-N	314.210	1.833	50	20	DDGD	
CNC(=O)C(C)(C)CNC(=O)[C@H](Br)C(C)(C)C	768295283	IDBWROVFUUKHHA-QMMMGPOBSA-N	307.232	1.684	50	20	DDGD	
CN(C)NC(=O)Nc1cccc(NC(=O)CCc2cn[nH]c2)c1	863911440	XKYBFLUTMYHBLJ-UHFFFAOYSA-N	316.365	1.579	50	20	DDGD	
CCO/C=C(\C#N)C(=O)N(C)C[C@@H](C)NC(=O)OC(C)(C)C	863684538	GLSNBFDRYCUVIJ-KPMWUXBGSA-N	311.382	1.802	50	20	DDGD	
CCCc1ccc(C(=O)NNC(=O)Cc2cc(C)[nH]n2)cc1	869012046	DRAHASPASDSUJG-UHFFFAOYSA-N	300.362	1.674	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)N[C@@H](C)c1cccc(O)c1	769904399	HNLPTCWCZHZJLG-RYUDHWBXSA-N	307.394	1.625	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@@H](C)SC1=N[C@H](C)CS1	766300416	SPKSENWSOUXUSI-RKDXNWHRSA-N	303.453	1.793	50	20	DDGD	
C[C@@H](NNC(=O)c1ccc(OCC(F)F)nc1)C(F)(F)F	862316486	PKUAOLPHBLTFSS-ZCFIWIBFSA-N	313.226	1.911	50	20	DDGD	
CCN1CCC[C@H](CNS(=O)(=O)CC(C)(C)CCl)C1	866681901	HGXIQZQYMHBWME-GFCCVEGCSA-N	310.891	1.903	50	20	DDGD	
CC1CCN(CCNS(=O)(=O)CC(C)(C)CCl)CC1	866498545	ZIAQYRGNMRLHRX-UHFFFAOYSA-N	310.891	1.903	50	20	DDGD	
COc1ccc(CC(=O)NNc2nccnc2OC)cc1F	764470413	ZDUXSFNMFCDXIS-UHFFFAOYSA-N	306.297	1.319	50	20	DDGD	
Cc1nn(C(C)(C)C)c(C)c1C=NNC(=O)c1cccnn1	1119301709	DYVZZSZKSIYOHP-UHFFFAOYSA-N	300.366	1.809	50	20	DDGD	
Cc1ccc([C@@H](C)[C@H](O)C(=O)NNc2ncc(F)cn2)cc1	765221898	MXQAMPNOVXFUMH-MFKMUULPSA-N	304.325	1.532	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)NC[C@@]2(C)CCCNC2)cc1	1117967381	WLBOMNNOIUQLBR-INIZCTEOSA-N	320.393	1.029	50	20	DDGD	
COc1ccccc1SCC(=O)NN=Cc1cnn(C)c1	761271591	QNTOAEODQUQCDS-UHFFFAOYSA-N	304.375	1.671	50	20	DDGD	
COC(=O)CC1CC(=NNC(=O)CCN2CCC(C)CC2)C1	1118155126	LNXZQVFXSDXXER-UHFFFAOYSA-N	309.410	1.554	50	20	DDGD	
COC(=O)CNC(=O)NNC(=S)Nc1ccc(Cl)cc1	779720545	KEISSIWAHALCDQ-UHFFFAOYSA-N	316.770	1.014	50	20	DDGD	
C[C@H](NC(N)=O)C(=O)NNc1ccc(Br)c(F)c1	771674526	HNISSQULMGBKAF-YFKPBYRVSA-N	319.134	1.088	50	20	DDGD	
CC(C)C(=O)NNC(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1	873797413	RMFTXTATVBZDFK-JTQLQIEISA-N	304.268	1.542	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)N[C@@H]2CC23CCC3)cc1OC	872808474	HXAQURRRGGDXKU-CYBMUJFWSA-N	319.361	1.590	50	20	DDGD	
COCCOCCC(=O)NNC(=S)Nc1cccc(C)c1	873774030	CUJAAHYQVLCHDU-UHFFFAOYSA-N	311.407	1.366	50	20	DDGD	
CC[C@H](C(=O)NNC(=O)c1nc2ccccc2s1)N(C)C	874913832	UVRKDPNEYFQSQH-SNVBAGLBSA-N	306.391	1.398	50	20	DDGD	
CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)/C=C1/CC[C@@H](C)C1	772186951	WYQPBWNXKXUWGA-YFNPVVSBSA-N	310.394	1.858	50	20	DDGD	
COc1ncncc1NC(=O)NNc1cnc2ccccc2n1	775670307	GTMOFIOSRZHVHL-UHFFFAOYSA-N	311.305	1.577	50	20	DDGD	
CCOCCONC(=O)NNC(=O)Cc1ccc(Cl)cc1	773520766	QCNXTCVTLHFYNK-UHFFFAOYSA-N	315.757	1.181	50	20	DDGD	
Cc1nn(C)c(C(=O)NNc2ccc(Cl)nc2)c1[N+](=O)[O-]	777522839	ALXOVOWKPBAXNJ-UHFFFAOYSA-N	310.701	1.442	50	20	DDGD	
CC(C)c1[nH]nc(C(=O)NNC(=O)C2CCCC2)c1[N+](=O)[O-]	771278063	YNZANBAQVQSHKZ-UHFFFAOYSA-N	309.326	1.393	50	20	DDGD	
C[C@H](O)c1ncc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)s1	772989911	JSJGRBYUCDIPGV-QMMMGPOBSA-N	320.330	1.869	50	20	DDGD	
N#Cc1cccc(C(=O)NNS(=O)(=O)CCC2CCCC2)c1	882701614	YDAGHDKTUGWOBG-UHFFFAOYSA-N	321.402	1.703	50	20	DDGD	
CS(=O)(=O)c1cccc(NNC(=O)c2ccc([N+](=O)[O-])[nH]2)c1	776715897	WPROPNDTJJGLPN-UHFFFAOYSA-N	324.318	1.083	50	20	DDGD	
CCCN(CCC)CCCC(=O)NNC(=O)C1CCOCC1	883062703	NYQHTMLLRWPVFE-UHFFFAOYSA-N	313.442	1.463	50	20	DDGD	
C#CCCCC(=O)NNC(=O)[C@H](Oc1ccccc1)C(C)(C)O	887149067	ICRVCYAZWSIGEA-HNNXBMFYSA-N	318.373	1.156	50	20	DDGD	
O=C(NC[C@@H]1C=CCC1)NNC(=O)c1ccc2c(c1)OCCO2	883778953	LLPPKBVSUNYTKI-LLVKDONJSA-N	317.345	1.368	50	20	DDGD	
Cc1ccc(F)cc1C(=O)C(=O)NNC(=O)NC1CCCCC1	781928854	ARRKLMGJQQKWKQ-UHFFFAOYSA-N	321.352	1.980	50	20	DDGD	
O=C(NNC(=O)C(F)(F)C1(O)CCCC1)NC1CCCCC1	785683467	BVUNAYWQYOQKAD-UHFFFAOYSA-N	319.352	1.590	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)N[C@H](CC)C(F)F	881013748	FWTCPHRHYOABKS-MRVPVSSYSA-N	311.329	1.150	50	20	DDGD	
C[C@]1(COC(=O)COC[C@H]2CCCO2)C[C@@H]1Br	1123040526	SYWDOOWYTBHBGD-JFGNBEQYSA-N	307.184	1.899	50	20	DDGD	
CCNC(=O)CC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	780848841	RONUKUJPJCBKQL-UHFFFAOYSA-N	321.421	1.267	50	20	DDGD	
CC(C)(C)C(=O)NNC(=O)CN1CCC([C@H]2CCCO2)CC1	784362302	PHNGMJVGZHNCNN-CYBMUJFWSA-N	311.426	1.071	50	20	DDGD	
CC(C)[C@@H](F)C(=O)NNC(=O)c1cc(Br)c[nH]1	784145111	MWYWGZFYWKVATF-MRVPVSSYSA-N	306.135	1.532	50	20	DDGD	
COC(=O)c1ccc(NNC(=O)[C@@H]2CCC[C@@H]2OC)cc1F	1120742522	DLUZNXZMWHXEMU-YPMHNXCESA-N	310.325	1.871	50	20	DDGD	
CCOc1cc(C=NNC(=O)C(C)(C)O)ccc1OC(F)F	785463555	RKQPVHWEAIWWOP-UHFFFAOYSA-N	316.304	1.908	50	20	DDGD	
Cc1nc(N)sc1C(=O)NN=Cc1ccc([N+](=O)[O-])s1	782225462	PQDALXTWQWDVOL-UHFFFAOYSA-N	311.348	1.767	50	20	DDGD	
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@@H]1CO[C@@H](C)C1	784145216	OBZNILGKQDBBTQ-IUCAKERBSA-N	312.753	1.535	50	20	DDGD	
CCc1nn(C)cc1NC(=O)C(=O)NNc1ccc(F)cc1F	783343594	YEKBHHYZRITNSL-UHFFFAOYSA-N	323.303	1.343	50	20	DDGD	
COCC(=NNC(=O)CNc1ccccc1)C1CCOCC1	780195222	SOJBYWAGKXEBRG-UHFFFAOYSA-N	305.378	1.644	50	20	DDGD	
COC(=O)COc1ccccc1/C=C(/C#N)C(=O)NC1CC1	899339040	UOAUTHYBIFBJEI-WQLSENKSSA-N	300.314	1.424	50	20	DDGD	
COC(=O)c1ccc(Cl)c(C=NNC(=O)c2c[nH]nc2C)c1	794851147	NTRRMQFQIJURGQ-UHFFFAOYSA-N	320.736	1.922	50	20	DDGD	
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1cnoc1C	799466439	CBRNDMHMCMKJQE-AWEZNQCLSA-N	301.302	1.663	50	20	DDGD	
CC(C)NC(=O)NN=Cc1cn(CC(=O)O)c2ccccc12	799877408	ZGYCFFHBLOQAFM-UHFFFAOYSA-N	302.334	1.767	50	20	DDGD	
C[C@H]1CN(CC(=O)NNC(=O)c2cccs2)C[C@@H](C2CC2)O1	791556493	KEQSDLNLOCXTMK-JQWIXIFHSA-N	323.418	1.008	50	20	DDGD	
CCC/C=C/C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	798308342	WDGYEJGQEYGGBU-VOTSOKGWSA-N	303.362	1.746	50	20	DDGD	
C=C(CBr)COC(=O)CCCNC(=O)C1CC1	795440559	SGOJILXKJXVLLQ-UHFFFAOYSA-N	304.184	1.787	50	20	DDGD	
CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)CNc1ccc(C)cc1	794906455	KMVCAYFZJZDBEG-SWLSCSKDSA-N	307.394	1.615	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CN2C[C@H]3CCC[C@@H](C3)C2)cc1	796271275	MOYMFPIHOWVFMF-GJZGRUSLSA-N	315.417	1.878	50	20	DDGD	
O=C(NCC1CC1)NNC(=O)c1ccncc1C(F)(F)F	795586943	IENAMXYZEHEYJO-UHFFFAOYSA-N	302.256	1.454	50	20	DDGD	
CCOC(=O)NCCC(=O)NNc1ccc(Cl)c(OC)c1	790178082	UILNDLJGACBBJO-UHFFFAOYSA-N	315.757	1.928	50	20	DDGD	
COCCCNC(=O)NNC(=O)[C@@H](c1cccnc1)C(C)C	797841338	LXFJLXODZTVMLX-CYBMUJFWSA-N	308.382	1.188	50	20	DDGD	
COC1(C=NNC(=O)COc2ccc(C#N)cc2)CCCC1	790143678	SREARVGQSOFTOA-UHFFFAOYSA-N	301.346	1.998	50	20	DDGD	
CC(C)CC(=O)N1CCN(S(=O)(=O)CCCCl)CC1	37842716	QCXOVVVZSZFTOO-UHFFFAOYSA-N	310.847	1.135	50	20	DDGD	
O=C(NNC(=O)c1cnc(C2CC2)[nH]1)c1ccc2ccccc2n1	1319086131	MBXRYQCFUUXYRG-UHFFFAOYSA-N	321.340	1.910	50	20	DDGD	
COc1cc(OC)cc(C(=O)NNc2nncc(N)c2Cl)c1	1319302501	GHCMWMMJDZCXLW-UHFFFAOYSA-N	323.740	1.486	50	20	DDGD	
Cc1ncncc1C(=O)NNC(=O)c1ccc(Cl)cc1O	1317919228	RNOGWSAOCFHIIG-UHFFFAOYSA-N	306.709	1.219	50	20	DDGD	
O=C(NN=C1CCCS(=O)(=O)C1)c1ccccc1Cl	1318463853	RVPVLBWYTZFMSY-UHFFFAOYSA-N	300.767	1.634	50	20	DDGD	
O=C(NNC(=O)C1CC2(CCC2)C1)c1n[nH]c2c1CCCC2	1329540579	FUTHKYDVOATAEV-UHFFFAOYSA-N	302.378	1.630	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@H]1CCCCN1Cc1ccncc1	1320279750	YSHWPETZUDJXPM-CQSZACIVSA-N	319.409	1.129	50	20	DDGD	
O=C(CSc1ccccc1O)NNC(=O)N[C@@H]1C=CCCC1	1323169473	QRWKKUBPWURPJB-LLVKDONJSA-N	321.402	1.923	50	20	DDGD	
CCc1cccc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)n1	1326429685	JAGIIGZYWZWEQH-UHFFFAOYSA-N	313.361	1.321	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)c2ccc(O)nn2)c1	1329852943	AFFJKMCFHCDDKV-UHFFFAOYSA-N	321.337	1.261	50	20	DDGD	
CN1CCC[C@H](c2cccc(C(=O)NNc3ccn(C)n3)c2)C1	1331965475	UGVRHSSAEUVTPB-HNNXBMFYSA-N	313.405	1.986	50	20	DDGD	
Cc1c(C(=O)NNC(=S)NC(C)C)c(=O)oc2ccccc12	1339986990	JIJXWDWMFROPNU-UHFFFAOYSA-N	319.386	1.619	50	20	DDGD	
O=C(NNC(=O)c1ccccc1Cl)c1cc2ncccn2n1	1335450505	ZNRNEOSIOUFXOH-UHFFFAOYSA-N	315.720	1.458	50	20	DDGD	
O=C(NNC(=O)N1CCC(CC(F)(F)F)CC1)c1cn[nH]c1	1261791965	HOCIZQCFIBYJNF-UHFFFAOYSA-N	319.287	1.429	50	20	DDGD	
COc1ccc(C(C)=NNC(=O)CCO)c(Br)c1	1341803202	RNNCGIYZBNCLOS-UHFFFAOYSA-N	315.167	1.680	50	20	DDGD	
COC(=O)[C@H]1C[C@@H](C(=O)OC[C@@]2(C)C[C@H]2Br)C1	1345265052	IITXKAXDISLLCY-JXVAYASWSA-N	305.168	1.902	50	20	DDGD	
Nc1cnnc(NNC(=O)[C@H]2CCCCCC(=O)C2)c1Cl	1347489937	BRPMRUGNMOAQFO-QMMMGPOBSA-N	311.773	1.695	50	20	DDGD	
C[C@@H]1CCN(C(=O)C2CCC(Cl)CC2)CCS1(=O)=O	1349709544	DNOTVZIQIWJWHQ-VOMCLLRMSA-N	307.843	1.820	50	20	DDGD	
CS(=O)(=O)c1ccc(NNC(=O)c2conc2C2CC2)cc1	1347361768	OFYMFHMQMILIHA-UHFFFAOYSA-N	321.358	1.712	50	20	DDGD	
O=C(O)Cc1cccc(NC(=O)NNc2ncncc2Cl)n1	1602139611	FWADHFBEGDOTCW-UHFFFAOYSA-N	322.712	1.301	50	20	DDGD	
CC[C@@H](C)[C@H](NNC(=O)c1cnn(-c2ccccc2)c1)C(=O)O	1604947211	QAAOZAPCXUYWNM-RISCZKNCSA-N	316.361	1.606	50	20	DDGD	
Cc1cc(F)cc(C(=O)NNc2ncccc2C(=O)O)c1N	1605179059	CJDQFCQUGWBDLP-UHFFFAOYSA-N	304.281	1.566	50	20	DDGD	
O=C(O)c1cccc(NNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)c1F	1602448027	KLYPJOUAADMXTD-FXBDTBDDSA-N	306.293	1.582	50	20	DDGD	
C[C@]1(CNC(=O)NNc2ccc(CC(=O)O)cc2)CCCCO1	1604577584	MUXDAYDRFKNKDL-MRXNPFEDSA-N	321.377	1.899	50	20	DDGD	
O=C(/C=C/C1CCOCC1)NNc1ccc(F)c(C(=O)O)c1	1601231431	HEJARDBHHBGEJT-DAFODLJHSA-N	308.309	1.950	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNc1ccc(C(=O)O)cn1	1604859481	HFBQCQDUDHFMPO-NSHDSACASA-N	320.349	1.014	50	20	DDGD	
O=C(O)Cc1ccc(NNC(=O)C2(c3cccnc3)CC2)cc1	1608780224	ARANFSMVTKSUDD-UHFFFAOYSA-N	311.341	1.884	50	20	DDGD	
CC(C)(C)[C@@H](C(=O)O)C(=O)NNCC(F)(F)C(F)(F)F	1602853112	YIZNMCDBOBTCSB-RXMQYKEDSA-N	306.231	1.552	50	20	DDGD	
CC(C)(C)NC(=S)NNC(=O)[C@@]1(C(=O)O)C[C@H]2CC[C@H]1C2	1602869771	FJKNKIHPLDVKES-UINNMSKDSA-N	313.423	1.171	50	20	DDGD	
O=C(CC1(C(F)(F)F)CC1)NNc1ncccc1C(=O)O	1605670129	VOSASXNJLWBQMU-UHFFFAOYSA-N	303.240	1.956	50	20	DDGD	
CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1cccc(F)c1F	1549320311	LVEULLZMALWWAY-SMDDNHRTSA-N	323.343	1.668	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)[C@H]2CC[C@H](C(=O)O)CC2)cc1F	1610484990	UCSDZLDLBFNKQD-XYPYZODXSA-N	322.336	1.786	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NN=C1CCCN2CCCC[C@H]12	1552253399	HPSOERZOUPYAAG-CABCVRRESA-N	306.454	1.980	50	20	DDGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@]12CNC[C@@H]1CCO2	1579751045	DASBBAQKUFYGHS-SUMWQHHRSA-N	303.406	1.940	50	20	DDGD	
CC#CC[C@@H](N)C(=O)NNc1ncccc1C(=O)OC(C)(C)C	1574971808	IYRBEZRQLJWUIT-GFCCVEGCSA-N	318.377	1.221	50	20	DDGD	
Nc1ccc(C(=O)NNc2ncccc2Br)nc1	1580440060	MXABRSIBVIWXAY-UHFFFAOYSA-N	308.139	1.578	50	20	DDGD	
O=C(NNc1nc2ccncc2s1)[C@@H]1NCCc2occc21	1580742897	IYPPHHJSKDJUHF-GFCCVEGCSA-N	315.358	1.614	50	20	DDGD	
O=C(c1cnc[nH]1)N1CC2(CCCN2C(=O)C(Cl)Cl)C1	1846387130	KRFRVGHLFTUNNJ-UHFFFAOYSA-N	317.176	1.030	50	20	DDGD	
CCCO[C@@H]1CS(=O)(=O)C[C@@H]1I	157995783	ANEPCRUPSSQPJK-NKWVEPMBSA-N	304.149	1.014	50	20	DDGD	
NCCNC(=O)NNC(=O)c1ccccc1OC1CCCCC1	1580312146	DNGIUNYDSUPPIF-UHFFFAOYSA-N	320.393	1.301	50	20	DDGD	
O=C(NN=C[C@@H]1CCCSC1)c1cccc(-c2nn[nH]n2)c1	1593155646	WAJCWNOSMOPCMD-JTQLQIEISA-N	316.390	1.726	50	20	DDGD	
CCC/C=C/[C@H](O)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	1590569058	MJKIMCLLWQBZLR-ITKZLYELSA-N	302.338	1.027	50	20	DDGD	
CCC(=O)NNC(=O)Nc1cc(Cl)c(F)c(C(=O)O)c1	1594712546	RBFAYCFOHHJNCO-UHFFFAOYSA-N	303.677	1.740	50	20	DDGD	
COC/C(C)=C/C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1	1591371197	MQJIJXSBJKKZKG-VMPITWQZSA-N	322.756	1.556	50	20	DDGD	
CCn1nc(C)c(C(=O)NNc2ccc(C)c(C(=O)O)c2)n1	1597932726	SQXZNMNGJPLURF-UHFFFAOYSA-N	303.322	1.370	50	20	DDGD	
CC(C)(C)OC(=O)NCC1CCC(=NNC(=O)C(=O)O)CC1	1590170357	QNHVQSKOFSPLQT-UHFFFAOYSA-N	313.354	1.258	50	20	DDGD	
O=C(O)CCc1cccc(NC(=O)NNc2ncncc2F)c1	1595064440	UNKHLHSSYQKQIU-UHFFFAOYSA-N	319.296	1.782	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2cccc(C(=O)O)c2F)c[nH]1	1598919748	JIATVXJMCOHZII-UHFFFAOYSA-N	321.264	1.396	50	20	DDGD	
O=C(O)c1cc(C(=O)NNc2cc(F)c(F)c(F)c2)[nH]n1	1594780221	OIHWGNBFOFZUGZ-UHFFFAOYSA-N	300.196	1.282	50	20	DDGD	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(C(=O)O)nn1C)c1ccccc1	1776119393	ACFCKLKJAYRCEV-JYVXZMADSA-N	324.340	1.903	50	20	DDGD	
COc1ccc(C=NNC(=O)c2ccc(C(=O)O)cc2)cc1O	1776098841	BFMUTOZMQAEBHW-UHFFFAOYSA-N	314.297	1.863	50	20	DDGD	
COCCOCC(=O)NN=Cc1ccc2oc(C(=O)O)cc2c1	1776097958	NWFCOJMMTVKTKN-UHFFFAOYSA-N	320.301	1.244	50	20	DDGD	
Cn1cc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cn1	17158856	NOMOKAOLUKURGS-UHFFFAOYSA-N	302.378	1.398	50	20	DDGD	
COC[C@H](C)CNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	150024591	AUDAKVXJHNECTB-SBALOJEDSA-N	300.362	1.511	50	20	DDGD	
CCO/C=C(/C#N)C(=O)NCc1cccc(Cn2ccnc2)c1	158880134	HBLAPYAKFUSCKG-VBKFSLOCSA-N	310.357	1.992	50	20	DDGD	
CNC(=O)NNC(=O)c1cc(C2CC2)nc2ccc(OC)cc12	160918274	IVZGWNHIPSGJFN-UHFFFAOYSA-N	314.345	1.695	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1c(-c2ccccn2)noc1C	165073888	YJBKHNSDAXORTN-UHFFFAOYSA-N	317.349	1.789	50	20	DDGD	
Cc1ccc(-c2nnn(CC(=O)NNc3ccccc3)n2)cc1	151231952	NGOLVOVXPCTDBZ-UHFFFAOYSA-N	308.345	1.792	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)C[C@@H]2OCCc3ccccc32)[nH]n1	153046511	SDYXPGFUEXKOIU-AWEZNQCLSA-N	314.345	1.183	50	20	DDGD	
COc1cc(F)cc(NNC(=O)CSc2nncs2)c1	156422476	STXGDOQRWQIOBM-UHFFFAOYSA-N	314.367	1.921	50	20	DDGD	
COCCCC(=O)NNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1	154515390	BVSNQVGBPPGHPN-UHFFFAOYSA-N	320.324	1.403	50	20	DDGD	
CN(NC(=O)CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C	497278356	RPMBZQLKNVPIQW-UHFFFAOYSA-N	317.386	1.799	50	20	DDGD	
Cc1ccc(NNC(=O)NC[C@@H](C)N2CCC(C)CC2)nn1	106335941	VFPCGFBSMRKBTH-CYBMUJFWSA-N	306.414	1.532	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnc([C@@H]2CCCO2)s1	119928530	IKWXLWOQCMNHNL-VIFPVBQESA-N	312.395	1.739	50	20	DDGD	
CC[C@@H](C)N(C)CCNC(=O)NNC(=O)c1cccc(C#N)c1	103615593	SXIBQNBMYZRAHE-GFCCVEGCSA-N	317.393	1.233	50	20	DDGD	
C[C@H]1CCC[C@@H]1NC(=O)NNC(=O)COc1ccc(F)cc1	105310509	DNLPWLSTGALCKI-GWCFXTLKSA-N	309.341	1.724	50	20	DDGD	
Cc1cc(C)c(C(=O)NNC(=O)Cc2ccccc2F)c(=O)[nH]1	108974858	VCYFEQYVLHMEOC-UHFFFAOYSA-N	317.320	1.135	50	20	DDGD	
CCCCNC(=O)NNC(=O)CNC(=O)CCC1CCCC1	102339873	FXXXNOUEUJWMHQ-UHFFFAOYSA-N	312.414	1.204	50	20	DDGD	
O=C(COc1ccc(F)cc1)NNC(=O)N[C@H]1CC=CCC1	172481436	UHXOHMULPYEGIU-LBPRGKRZSA-N	307.325	1.644	50	20	DDGD	
CN1CC[C@H](C(=O)NNc2cc(F)c(F)c(F)c2)CC1=O	175485048	WMGHBJJVJIAPFK-ZETCQYMHSA-N	301.268	1.415	50	20	DDGD	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNc1nccnc1Cl	114896936	OAQAHJACCWGWLL-SECBINFHSA-N	317.736	1.912	50	20	DDGD	
COc1cc(C)nc(NNC(=O)c2ccc([S@@](C)=O)cc2)n1	174488072	VYOUTWRHZUJNCR-JOCHJYFZSA-N	320.374	1.288	50	20	DDGD	
CN1CCC(NC(=O)NNc2ccc(C(C)(C)C)nn2)CC1	118564583	IEZTWYVAWLRKPR-UHFFFAOYSA-N	306.414	1.494	50	20	DDGD	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccc[nH]2)c1C	78438207	GBEUHDAVIJPSLT-GFCCVEGCSA-N	301.346	1.860	50	20	DDGD	
CN(C)CC(=O)NNC(=O)c1ccc(-c2ccccc2F)o1	75652943	CTSFCRINFAQTEI-UHFFFAOYSA-N	305.309	1.408	50	20	DDGD	
Cc1ccc(NNC(=O)NCC2(CN(C)C)CCCC2)nn1	185195233	NYGTXVJFCRBELV-UHFFFAOYSA-N	306.414	1.533	50	20	DDGD	
COc1ccc(S[C@@H](C)C(=O)NNC(=O)NC2CC2)cc1	64427477	GSNSVBSUPUIBLM-VIFPVBQESA-N	309.391	1.669	50	20	DDGD	
CC(=O)N1CCC(C(=O)NNc2cc(F)c(F)cc2F)CC1	115718307	XPLROSQMIPWVKV-UHFFFAOYSA-N	315.295	1.806	50	20	DDGD	
Cc1noc(C)c1CSCC(=O)NNC(=O)c1ccc[nH]1	21903715	IXCYPPAQFCARMN-UHFFFAOYSA-N	308.363	1.314	50	20	DDGD	
Cc1ncc(C(=O)NNC(=O)Cc2cccnc2)c(C(C)C)n1	172108332	SIOQRNACXFXVLQ-UHFFFAOYSA-N	313.361	1.307	50	20	DDGD	
O=C(Cc1ccn[nH]1)NNc1ccc(OC(F)(F)F)cc1	178034108	JRFDYCANIBEPNF-UHFFFAOYSA-N	300.240	1.994	50	20	DDGD	
CCOCC(=O)NNC(=O)NC[C@]1(C)CCCc2ccccc21	179675860	SFULTHBWDANVPA-KRWDZBQOSA-N	319.405	1.648	50	20	DDGD	
Cn1c(C(=O)NNC(=O)c2ccc(Cl)cc2F)cccc1=O	126499177	SBSVCQSCKPFEER-UHFFFAOYSA-N	323.711	1.253	50	20	DDGD	
CNC(=O)NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1ccc(C)cc1	214862642	ACUDDFMYTLVLDS-JYVXZMADSA-N	315.329	1.289	50	20	DDGD	
CSCCNC(=S)NNC(=O)C(F)(F)c1ccccc1	180301574	FJVDCJLDRMAZOF-UHFFFAOYSA-N	319.402	1.637	50	20	DDGD	
Cc1ccc(NC(=O)NNc2ccccn2)cc1-n1cnnn1	180680349	FQDYOFANXGTASI-UHFFFAOYSA-N	310.321	1.514	50	20	DDGD	
O=C(Cc1ccc(O)cc1)NNc1ccc(C(F)(F)F)nn1	124192823	AAZZVTPPPUIVFR-UHFFFAOYSA-N	312.251	1.887	50	20	DDGD	
C[C@H](C(=O)NNc1cccc2c1CCCC2)N1CCN(C)CC1	120037146	SEVTUDBPABPGOG-CQSZACIVSA-N	316.449	1.644	50	20	DDGD	
COc1ccccc1NCC(=O)NNC(=O)[C@@H]1C[C@]1(C)C(C)C	188293137	YJPZKYONRDQLPL-YVEFUNNKSA-N	319.405	1.937	50	20	DDGD	
O=C(NNc1ncccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1	120014752	BBJONNOHZRLLFY-UHFFFAOYSA-N	303.234	1.655	50	20	DDGD	
CCOCC(=O)NNC(=O)Nc1ccc(CC(F)(F)F)cc1	186065033	VRYIRSDNQSBOBU-UHFFFAOYSA-N	319.283	1.981	50	20	DDGD	
COc1ccccc1C(=O)NNC(=O)Nc1cc(C)ccn1	184260364	PMZBSADVKJZUKK-UHFFFAOYSA-N	300.318	1.865	50	20	DDGD	
CC(C)[C@@H](CO)NC(=O)NNC(=O)c1cccc2ccccc12	181211645	SCWBZHDUQVOQKL-OAHLLOKOSA-N	315.373	1.801	50	20	DDGD	
COc1nccnc1NNC(=O)[C@@H](C)OCc1ccccc1	131925790	VAKLJQADKFYDOT-LLVKDONJSA-N	302.334	1.534	50	20	DDGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)NCC(F)F	73149130	AQNRVABEKYXYOH-UHFFFAOYSA-N	307.300	1.978	50	20	DDGD	
C#CCSCCNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	130331932	SKYJXTYKQRDKDD-ZSOIEALJSA-N	312.398	1.595	50	20	DDGD	
CN(C)c1cccc(CCC(=O)NNC(=O)c2ccc[nH]2)c1	194035062	DYSONGDONFJMMA-UHFFFAOYSA-N	300.362	1.475	50	20	DDGD	
O=C(NNC(=O)c1cccc(C(F)(F)F)c1)c1ccnnc1	131533642	DENKRNDDHHSBHM-UHFFFAOYSA-N	310.235	1.570	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccncc2C(F)(F)F)[nH]n1	193113575	ZDCIFMGUBIDAJQ-UHFFFAOYSA-N	313.239	1.207	50	20	DDGD	
Cc1cc(NC(=O)C(=O)NNc2ccc(Cl)cc2)n(C)n1	131077173	MQAFGBCOIUWGOI-UHFFFAOYSA-N	307.741	1.464	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)c2cc(C)c(C)o2)cc1	134599612	TXBHKBKTFQALOW-UHFFFAOYSA-N	317.345	1.778	50	20	DDGD	
O=C(NNc1nc2ccccn2n1)c1ccc2c(c1)OCCO2	191882023	QLNZZFPQPCINEP-UHFFFAOYSA-N	311.301	1.257	50	20	DDGD	
Cc1cc(NNC(=O)[C@H]2CC(c3cccnc3)=NO2)nc(C)n1	192369193	PXLBHGKKHUYRND-CYBMUJFWSA-N	312.333	1.125	50	20	DDGD	
Cc1n[nH]c(C)c1CC(=O)NNC(=O)CCCc1ccccc1	191002198	KOULDUPSNSKFQE-UHFFFAOYSA-N	314.389	1.739	50	20	DDGD	
O=C(Cc1ccccc1F)NNC(=O)NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12	247632307	SZEPIUJLFVVQSP-UOVKNHIHSA-N	317.364	1.743	50	20	DDGD	
O=C(/C=C\c1ccc(Cl)s1)NNC(=O)N1CCOCC1	255915198	ZDISIYKUSQGGJN-RQOWECAXSA-N	315.782	1.488	50	20	DDGD	
CO[C@H](CNC(=O)NNC(=O)COc1cccc(C)c1)C(C)C	266759768	SRVFKXARCAFGKX-CQSZACIVSA-N	323.393	1.375	50	20	DDGD	
CCC(=O)N1CCCC[C@H]1C(=O)NNc1ccc(OC)cc1	267005436	MHPQYGJNORUGON-AWEZNQCLSA-N	305.378	1.929	50	20	DDGD	
CN1CCC[C@H]1C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	264809227	JGBOFFRBOKIYCD-NSHDSACASA-N	321.768	1.927	50	20	DDGD	
CC[C@@H](C)OCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1	269803418	CBHRZDLQYCAWEI-GFCCVEGCSA-N	321.377	1.204	50	20	DDGD	
CC[C@@H]1CCC[C@H]1NC(=O)NNC(=O)COc1ccccc1O	268267612	SRGJSDQRAVRLNL-VXGBXAGGSA-N	321.377	1.680	50	20	DDGD	
CSSCCNC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1	367061767	IHIQCNTYHFIPML-SNVBAGLBSA-N	315.468	1.309	50	20	DDGD	
COc1cccc(NNC(=O)N[C@H]2CCCc3c2cnn3C)n1	272392352	IQEUPCJKUSYBHD-NSHDSACASA-N	316.365	1.527	50	20	DDGD	
CC(C)CC(=O)NNC(=O)C(=O)Nc1ccc2ccn(C)c2c1	274127052	HQWCTXXIIMDONU-UHFFFAOYSA-N	316.361	1.310	50	20	DDGD	
C=CCCS(=O)(=O)NNC(=O)[C@H]1CCO[C@@H]1c1ccccc1	276922269	QFPGGZRCBLBLKO-UONOGXRCSA-N	324.402	1.291	50	20	DDGD	
CCNC(=O)N(C)NC(=O)c1cc(-c2csc(C)n2)c[nH]1	272658099	GUDXWFOHCIOBGX-UHFFFAOYSA-N	307.379	1.753	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)c1ccccc1O)N(C)CC(F)(F)F	278679416	QGSDPUDTIKAUCD-QMMMGPOBSA-N	319.283	1.036	50	20	DDGD	
Cn1cc(C(=O)CCC(=O)NNC(=O)NC2CCCCC2)cn1	279718022	UMLWLVOKAZUHKI-UHFFFAOYSA-N	321.381	1.046	50	20	DDGD	
COc1ccc(NCC(=O)NNC(=O)[C@@H]2CCO[C@@H](C)C2)cc1	271822728	DDWADYKVXHQUBC-NWDGAFQWSA-N	321.377	1.070	50	20	DDGD	
Cc1ccc(F)c(NC(=S)NNC(=O)[C@H]2C[C@@]23CCOC3)c1	364087176	QDWNTOXYCKGKJS-MEBBXXQBSA-N	323.393	1.878	50	20	DDGD	
COc1cccc2[nH]cc(CC(=O)NNC(=O)CC(C)C)c12	272261915	MTNFWURCTQNSIO-UHFFFAOYSA-N	303.362	1.913	50	20	DDGD	
C[C@H](NC(=O)NNc1c(F)cccc1Cl)c1ncnn1C	276877669	KAVHCHPVSDFVEN-ZETCQYMHSA-N	312.736	1.995	50	20	DDGD	
O=S(=O)(CBr)NCCc1ccc(F)c(F)c1	276094562	BGLLTBHPVZQUGG-UHFFFAOYSA-N	314.151	1.779	50	20	DDGD	
OC[C@H]1CN(CCI)c2ccccc2O1	372993175	OFXHKYPOSLHDRZ-SECBINFHSA-N	319.142	1.681	50	20	DDGD	
Cc1cccc(OCC(=O)NNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1	377820057	ALYJJULZEABJEE-DUVNUKRYSA-N	318.373	1.336	50	20	DDGD	
CCOC(=O)NNC(=O)Nc1cccnc1-c1cnn(C)c1	372746085	VOIXAGAWURISTA-UHFFFAOYSA-N	304.310	1.265	50	20	DDGD	
Cc1cc(S(=O)(=O)NNC(=O)C2CCC2)sc1Cl	276636958	VVDDYIQOBBZOMC-UHFFFAOYSA-N	308.812	1.820	50	20	DDGD	
CCO[C@@H]1C[C@@H](NC(=O)NNc2cc(Cl)ccn2)[C@@H]1OC	275070363	LEACTOSIIAGNHS-FOGDFJRCSA-N	314.773	1.554	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)c2cnc3n2CCCC3)c(O)c1	378228462	MZZBXDBEOAQHMJ-UHFFFAOYSA-N	314.345	1.308	50	20	DDGD	
CC(C)(C)CC(=O)NNC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1	371432662	KOCVRGTZQZFKMO-ABAIWWIYSA-N	313.398	1.091	50	20	DDGD	
CN1CCN(C(=O)NNC(=O)c2cc(F)cc(Cl)c2)CC1	287788361	LJQGQWDQPMGGPT-UHFFFAOYSA-N	314.748	1.081	50	20	DDGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNc1nc(-c2ccncc2)no1	370041383	FAWOQGVTKZULHC-MWLCHTKSSA-N	305.338	1.636	50	20	DDGD	
CSSCCNC(=O)N[C@@H](C)c1nnc2n1CCC2	285313498	HQJVISRYFFYGQY-QMMMGPOBSA-N	301.441	1.596	50	20	DDGD	
CSSCCNC(=O)c1ccccc1OCC(N)=O	283850059	BGNGTDJPKHXVOI-UHFFFAOYSA-N	300.405	1.292	50	20	DDGD	
Cn1ncc2c1C[C@H](C(=O)NNc1ccc(Cl)nn1)CC2	282035430	QKVFCZIMRVJUQO-MRVPVSSYSA-N	306.757	1.112	50	20	DDGD	
COc1cccc(C(=O)NNC(=O)c2cn(C(C)C)cn2)c1O	281991914	MUBXIDKZDRVGAN-UHFFFAOYSA-N	318.333	1.253	50	20	DDGD	
O=C(NNC(=O)c1ccc2oc(=O)[nH]c2c1)NC1CCCC1	286807043	WLVTZXYYPMRKFE-UHFFFAOYSA-N	304.306	1.008	50	20	DDGD	
O=C(CC1CCOCC1)NNC(=O)Nc1cc(F)cc(F)c1	283628455	BHDDVIGDVRSZNF-UHFFFAOYSA-N	313.304	1.934	50	20	DDGD	
CC(C)(C)OC(=O)NC(C)(C)C(=O)NNC(=O)c1ccccn1	299292184	KMVIMRBJLHRNCJ-UHFFFAOYSA-N	322.365	1.146	50	20	DDGD	
CC(C)Oc1ncccc1NC(=O)NNC(=O)[C@H]1CCCCO1	296489798	BCJXZYCUBPJTGH-GFCCVEGCSA-N	322.365	1.591	50	20	DDGD	
COCCCn1nccc1C=NNC(=O)Cc1nc(C)cs1	802709340	LZYPAPRERTYRHE-UHFFFAOYSA-N	321.406	1.377	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCc2c(O)cccc21)[C@@H]1CCCO1	294696337	QPHUCMFOMXQPOP-OCCSQVGLSA-N	304.346	1.139	50	20	DDGD	
C[C@@H](C(=O)NNC(=O)[C@@H]1CCCO1)[C@H]1OCCc2sccc21	294153211	VEJAKBPQMXJCOC-SUZMYJTESA-N	324.402	1.324	50	20	DDGD	
COc1ccc(NC(=S)NNC(=O)CCCC#N)cc1F	291928376	OEKUWPXKVBDCCA-UHFFFAOYSA-N	310.354	1.846	50	20	DDGD	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ccccc1OCC1CC1	295274854	CELMEXMKUMJNLA-HNNXBMFYSA-N	318.373	1.806	50	20	DDGD	
O=C(CC[C@@H]1CCCO1)NNC(=O)Nc1ccc2c(c1)OCO2	802093026	MRCSEZPYJSMBGP-NSHDSACASA-N	321.333	1.527	50	20	DDGD	
CS(=O)(=O)CCCCCNC(=O)NNc1ncccc1F	805311179	SFQFFWWFYPYENB-UHFFFAOYSA-N	318.374	1.062	50	20	DDGD	
CCNC(=O)N(C)NC(=O)[C@@H](C)[C@@H]1OCCc2sccc21	293581464	WKUZUGZFHUCPIM-CABZTGNLSA-N	311.407	1.691	50	20	DDGD	
Nc1c(F)cc(Cl)cc1C(=O)NNC(=O)[C@@H]1CCCCO1	295771257	RHFPHVNAKIKOSB-JTQLQIEISA-N	315.732	1.391	50	20	DDGD	
CC(C)CCSCC(=O)NNc1ccc(-n2ccnc2)nn1	804957725	RXWCNVZJFSWWOW-UHFFFAOYSA-N	320.422	1.885	50	20	DDGD	
N[C@@H]1CCCC[C@@H]1CC(=O)NNc1nc(-c2ccncc2)no1	294658950	AFMFSNDRBAJEKN-VXGBXAGGSA-N	316.365	1.482	50	20	DDGD	
CSCC(C)(C)C(=O)NNC(=O)c1ccc2c(c1)OCO2	800378831	HFSFZESCWWADLH-UHFFFAOYSA-N	310.375	1.566	50	20	DDGD	
N#C[C@]1(C(=O)NNC(=O)NCc2ccco2)CC12CCCC2	294790760	SPCADSIHDMXCIQ-HNNXBMFYSA-N	302.334	1.584	50	20	DDGD	
C[C@H](C(=O)NNC(=O)[C@@H]1CCCO1)[C@@H]1OCCc2sccc21	294153201	VEJAKBPQMXJCOC-GAFUQQFSSA-N	324.402	1.324	50	20	DDGD	
COc1c(C(=O)NNc2ncccc2F)cccc1[N+](=O)[O-]	804220208	PWHGLULYEHVMNN-UHFFFAOYSA-N	306.253	1.894	50	20	DDGD	
O=C(NN=c1cc[nH]cc1Cl)[C@]1(O)CCc2ccccc2C1	803111647	WTNYHIWUNIVGIZ-INIZCTEOSA-N	317.776	1.520	50	20	DDGD	
CCOc1ncccc1NC(=O)NNC(=O)[C@H]1CCCCO1	296520151	ZFXZYUBJFRRXRE-LLVKDONJSA-N	308.338	1.202	50	20	DDGD	
Cc1ncsc1CCC(=O)NNC(=O)Cc1ccccc1F	298192595	UOIHTHIFUWTGEH-UHFFFAOYSA-N	321.377	1.913	50	20	DDGD	
COc1cccc(OCCC(=O)NNC(=O)c2ccc(C)o2)c1	294937622	LTJBEPVIGDKIGL-UHFFFAOYSA-N	318.329	1.827	50	20	DDGD	
CC(C)n1ccc(CC(=O)NNC(=O)Nc2ccccc2)n1	801984533	ARAGFPZIMYAHLQ-UHFFFAOYSA-N	301.350	1.859	50	20	DDGD	
C[C@@H](CBr)CN1CCC[C@H](S(C)(=O)=O)CC1	800459828	DUYHDNUWNKQSCN-QWRGUYRKSA-N	312.273	1.917	50	20	DDGD	
COc1cc(C)c(NC(=O)C(=O)NNC(=O)C2CC2)c(C)c1C	806972998	VSVHHLVXXBMBKZ-UHFFFAOYSA-N	319.361	1.116	50	20	DDGD	
Cc1cc2c(cc1C)C(=NNC(=O)C(=O)Nc1ccccn1)CO2	814869533	MXGCODLSILYSOS-UHFFFAOYSA-N	324.340	1.550	50	20	DDGD	
COC(=O)c1ccc(C=NNC(=O)Cc2ccccc2F)n1C	814842710	PNQFMKXVMLJNKP-UHFFFAOYSA-N	317.320	1.644	50	20	DDGD	
O=C(CNC(=O)c1ccco1)NN=C1CCCc2sccc21	814827023	RCYHULVWROQUII-UHFFFAOYSA-N	317.370	1.928	50	20	DDGD	
CO[C@@H]1CCC[C@@H](C(=O)NNC(=O)COCc2ccccc2)C1	814411160	MTINSNLOFTUACJ-HUUCEWRRSA-N	320.389	1.556	50	20	DDGD	
Nc1nc2c(s1)C(=NNC(=O)N=c1cc[nH]cc1)CCC2	815003458	VXYDHLZTYXWQOA-UHFFFAOYSA-N	302.363	1.404	50	20	DDGD	
C[C@H](Cc1cnc2ccccc2n1)C(=O)NNc1ncccn1	814926627	BNLYDRDIGBIDDM-LLVKDONJSA-N	308.345	1.742	50	20	DDGD	
CC(C)Oc1ncccc1C(=O)NNC(=O)NCC(F)(F)F	819521018	DCMHREHVFCHZTK-UHFFFAOYSA-N	320.271	1.375	50	20	DDGD	
CC(=NNC(=O)[C@H]1CCCS1)c1cccc(OCC(=O)O)c1	819823495	BAHWYAJSGADUOJ-CYBMUJFWSA-N	322.386	1.886	50	20	DDGD	
Cc1nc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c(C)o1	814222131	BAFLVCRBIRMZCH-UHFFFAOYSA-N	312.329	1.776	50	20	DDGD	
CCOC(=O)/C(C#N)=C/Nc1ccccc1O[C@H]1CC(=O)N1	817708287	WJYCSJMYCPBAPB-HBWSCVEGSA-N	301.302	1.294	50	20	DDGD	
COc1nc2ccccc2cc1C=NNC(=O)Cc1cc[nH]n1	814955327	BIAHVDQFTPDZQE-UHFFFAOYSA-N	309.329	1.659	50	20	DDGD	
Cc1cc(CC(=O)NN=Cc2cc(C(=O)O)c(C)cc2C)n[nH]1	814786846	FYNKSCHFKGYIPP-UHFFFAOYSA-N	314.345	1.726	50	20	DDGD	
COc1cc(C(=O)NN=C(C)c2cc[nH]n2)cc(OC)c1OC	814698812	UFTPUJYTBPWRAC-UHFFFAOYSA-N	318.333	1.590	50	20	DDGD	
CC(C)(C)n1ncnc1CNC(=O)NNc1cccc(Cl)n1	814330980	UJHPDLBLIZJOMF-UHFFFAOYSA-N	323.788	1.908	50	20	DDGD	
C[C@H]1C[C@H](C(=O)O)CCC1=NNC(=O)COc1ccccc1O	814952650	JSZNWFKYWRCDEK-WDEREUQCSA-N	320.345	1.764	50	20	DDGD	
COc1ccc(OC(C)(C)C(=O)NNC(=O)NCC2CC2)cc1	823803961	IKPKGHNVVDCJBP-UHFFFAOYSA-N	321.377	1.593	50	20	DDGD	
C[C@@]1(C(=O)NNc2ccccc2OC(F)(F)F)CCNC1=O	822131470	BHYNVSFUOSXSIY-GFCCVEGCSA-N	317.267	1.555	50	20	DDGD	
C[C@H](CO)N(C)NC(=O)C(=O)c1ccc(Br)s1	823916926	BCUAPBYOPWVEIH-ZCFIWIBFSA-N	321.196	1.037	50	20	DDGD	
CCO/C=C\C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1	493524041	LYGABFWHEKZIBC-HJWRWDBZSA-N	300.318	1.388	50	20	DDGD	
Cc1cc(C(=O)NN(C)[C@@H](C)CO)c(C)n1-c1ccccn1	823977206	QRCFCRUQZCJPOY-LBPRGKRZSA-N	302.378	1.447	50	20	DDGD	
COc1ccc(CCC(=O)NNC(=O)N[C@@H]2CO[C@@H](C)C2)cc1	827611779	CKMMGNMCTWLZDE-AAEUAGOBSA-N	321.377	1.136	50	20	DDGD	
CN(C)C(=O)NNC(=O)C[C@H](c1ccccc1)c1ncc[nH]1	824627358	LJMDYNBRPMLCGF-GFCCVEGCSA-N	301.350	1.234	50	20	DDGD	
CCc1n[nH]cc1C(=O)NNC(=S)NCCc1cccs1	820169820	WNAPDRUUVIJKPW-UHFFFAOYSA-N	323.447	1.385	50	20	DDGD	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C1(C)CCOCC1	726752962	ZHIHRKFBACXQDQ-LLVKDONJSA-N	324.352	1.557	50	20	DDGD	
CCOC(=O)NCC(=O)NNc1cc(Cl)nc(Cl)c1	496163865	ALDUWFGSOQXTOK-UHFFFAOYSA-N	307.137	1.578	50	20	DDGD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CC(C)(C)C	491142774	WGOOPFRJFDATCX-VIFPVBQESA-N	301.387	1.483	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC[C@H](c2ccco2)C1	827299217	MOAXBZCZKLTKTD-SDDRHHMPSA-N	307.350	1.235	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H](C1CC1)C(F)(F)F	826809136	JSQJQSWYHVUEQM-NBEYISGCSA-N	309.288	1.083	50	20	DDGD	
O=C(NCc1ccc2c(c1)CCO2)NNC(=O)c1ccc[nH]1	726272047	CKJYLQUVSMLNCJ-UHFFFAOYSA-N	300.318	1.094	50	20	DDGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@@H](C)N(C)C	822490974	UUNSJMNMMRCIEI-NXEZZACHSA-N	313.785	1.205	50	20	DDGD	
CCOC(=O)N1CCC(NC(=O)NCCSSC)CC1	496503291	ANMNERAMCVURCW-UHFFFAOYSA-N	321.468	1.918	50	20	DDGD	
CC(C)Cn1cc(C(=O)NN(C)[C@H](C)CO)c(C(F)F)n1	823918372	WIIDLVRAISBAQI-SECBINFHSA-N	304.341	1.434	50	20	DDGD	
CC(=NNC(=O)c1cccc(Cl)c1)c1cn(CC(=O)O)nn1	825804863	ZRSWYAIMXNQQQM-UHFFFAOYSA-N	321.724	1.170	50	20	DDGD	
CC(C)=CC(=O)NCc1ccc(C(=O)NN(C)[C@@H](C)CO)cc1	823951152	IJPRGFXNRXOQSD-ZDUSSCGKSA-N	319.405	1.226	50	20	DDGD	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N(C)[C@@H](C)c1ccc(F)cc1	827315278	PCPRSAQOWMFNIY-COPLHBTASA-N	323.368	1.984	50	20	DDGD	
OB(O)c1ccc(CNCC2(c3ccc(F)cc3)CCC2)o1	585021134	PVDFSVBCJYCTIH-UHFFFAOYSA-N	303.142	1.310	50	20	DDGD	
Cc1nc(-c2ccccc2)ncc1C(=O)NN(C)C[C@@H](C)O	821218260	WNVLIUNKHDLYSP-LLVKDONJSA-N	300.362	1.409	50	20	DDGD	
CCN(CCO)NC(=O)c1cnn(-c2ccccn2)c1C(C)C	823846115	BSIYEEZIXWCFLJ-UHFFFAOYSA-N	317.393	1.350	50	20	DDGD	
COC(=O)N(C)NC(=O)c1cc(F)ccc1N1CCOCC1	495759481	CMDOORHIWPQALQ-UHFFFAOYSA-N	311.313	1.005	50	20	DDGD	
CC(C)CNC(=O)/C(C#N)=C/c1cccc(S(C)(=O)=O)c1	490979871	ZCBNDNGVBWVDGA-NTUHNPAUSA-N	306.387	1.769	50	20	DDGD	
O=C(NN=C1CCCS(=O)(=O)C1)c1cc2c(s1)CCC2	731924125	SSTJUSXNBDUFHS-UHFFFAOYSA-N	312.416	1.531	50	20	DDGD	
CCOC(=O)NNC(=O)c1nn(-c2ccc(F)cc2C)cc1O	493202498	SMDDUMUAAVSMHY-UHFFFAOYSA-N	322.296	1.416	50	20	DDGD	
OB(O)c1cccc(CNC[C@@H]2CCC3(CCCCC3)O2)c1	585037829	LGHMRSDFTINBQH-INIZCTEOSA-N	303.211	1.338	50	20	DDGD	
CN(C)[C@@H](CNC(=O)NNC(=O)C1CCC1)C1CCCCC1	732449376	IGMUQOJFLLKHCX-AWEZNQCLSA-N	310.442	1.627	50	20	DDGD	
N#CC(C#N)=CN[C@H]1CCN(c2sccc2C(=O)O)C1=O	833065009	ZLQWEOWNZKLXSM-JTQLQIEISA-N	302.315	1.072	50	20	DDGD	
Cc1cccc([C@@H]2CCCN2C(=O)c2cccc(B(O)O)c2)c1	584933790	LJEUCYJSNSEAGC-KRWDZBQOSA-N	309.174	1.652	50	20	DDGD	
CC(C)(C)C(=O)NNS(=O)(=O)c1cccc2ccncc12	901854264	HETNVQRJXFAMIT-UHFFFAOYSA-N	307.375	1.590	50	20	DDGD	
CC[C@@H](NC(=O)c1cc(B(O)O)ccc1F)c1nc(C)cs1	584942889	ZDMJWAISWXWTNJ-GFCCVEGCSA-N	322.170	1.152	50	20	DDGD	
CC(C)(C(=O)NNC(=O)NC[C@]1(C)CCOC1)c1ccccc1	733349156	VGZZUDZRZWHDKC-KRWDZBQOSA-N	319.405	1.721	50	20	DDGD	
CCCN(CCc1cccs1)C(=O)c1ccc(B(O)O)cc1	584974381	GUZXPYYZZMDMEQ-UHFFFAOYSA-N	317.219	1.523	50	20	DDGD	
O=C(COC[C@H]1CCCO1)NNc1cnnc2ccccc12	733811793	PAGSCQCHFOMDET-LLVKDONJSA-N	302.334	1.269	50	20	DDGD	
C=C(C)CCNC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	836579955	SSDCXTOHYLVYEZ-UHFFFAOYSA-N	306.322	1.717	50	20	DDGD	
CC(C)O[C@H]1C[C@@H](NC(=O)NNC(=O)Cc2ccc(F)cc2)C1	838748961	CWSBGMUVHGOIGA-OKILXGFUSA-N	323.368	1.655	50	20	DDGD	
C[C@H]1CC(=NNC(=O)C2CCN(c3ncccn3)CC2)[C@@H](C)O1	834955958	KJCSIJALLKQRQS-NWDGAFQWSA-N	317.393	1.363	50	20	DDGD	
CC(C)(C)c1ccc(CC(=O)Nc2cccc(B(O)O)c2)cc1	584912296	MIIKTRHOQPJNDF-UHFFFAOYSA-N	311.190	1.845	50	20	DDGD	
COC[C@@H]1CN(C(=O)[C@]2(C)C[C@@H]2Br)C[C@H](C)O1	907626002	WMKNOCAPUYQPEZ-QFOLPQNPSA-N	306.200	1.422	50	20	DDGD	
COC(=O)N1CCN(C(=O)[C@@]2(C)C[C@H]2Br)CC1	906345948	XLMGNQSTKXDECY-KCJUWKMLSA-N	305.172	1.071	50	20	DDGD	
C[C@@H]1CC[C@H](CNC(=O)NNC(=O)CCCc2ccccc2)O1	838744087	HXGJXXGJJJLOHC-UKRRQHHQSA-N	319.405	1.907	50	20	DDGD	
Cc1ccc(C(=O)NNC(=O)CC(F)(F)F)c(C2CC2)n1	839557062	UEQCSIUNYAAVNO-UHFFFAOYSA-N	301.268	1.981	50	20	DDGD	
Cn1c(=NNC(=O)CCCNC(=O)O)sc2ccccc21	739000271	XSUCXTNBGJOHQV-UHFFFAOYSA-N	308.363	1.220	50	20	DDGD	
O=S(=O)(NCCN1CCCC1)c1ccc(CCl)cc1	388803676	PTLLBZZGFCRGLW-UHFFFAOYSA-N	302.827	1.800	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)[C@H](C)C2CCC2)cc1OC	837308897	RQOPELHZZRCTPZ-SNVBAGLBSA-N	306.362	1.901	50	20	DDGD	
C[C@@H](CN(C)C(=O)c1ccc(B(O)O)cc1)C1CCCCC1	585011155	CRSJDFRTWAQFBK-ZDUSSCGKSA-N	303.211	1.655	50	20	DDGD	
COC(=O)[C@H](NS(=O)(=O)CCl)c1ccc(C)c(C)c1	831126196	SHNNJRZERVZBQR-LLVKDONJSA-N	305.783	1.633	50	20	DDGD	
Cc1nc(Cl)cc(NNC(=O)c2[nH]c(C)c(C(=O)O)c2C)n1	833000263	GMQHXEAJNJLURD-UHFFFAOYSA-N	323.740	1.838	50	20	DDGD	
CC(C)Oc1cc(C(=O)NNC(=O)CC2CC2)ccc1[N+](=O)[O-]	839779836	MNGUYAGLRZLUOL-UHFFFAOYSA-N	321.333	1.943	50	20	DDGD	
C[C@@H](N)C[C@@H](C)NC(=O)NNC(=O)c1cccc2ccccc12	831211561	HCQMXEQRXMTCPX-VXGBXAGGSA-N	314.389	1.910	50	20	DDGD	
O=C(CN1CC[C@H](c2ccccc2F)C1)NNC(=O)C1CC1	733198509	IIUDZWQOOUECCC-LBPRGKRZSA-N	305.353	1.172	50	20	DDGD	
O=C(NCc1ncc(-c2ccccc2)o1)NNC(=O)C1CCC1	732241094	ACUGDCSTDLGMTE-UHFFFAOYSA-N	314.345	1.972	50	20	DDGD	
CC(C)(O)C(C)(C)CNC(=O)NNC(=O)c1ccc(C#N)cc1	836266386	WJUXVIJGEQJSQK-UHFFFAOYSA-N	318.377	1.299	50	20	DDGD	
CN(C)CC#CCNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	913520201	IBIXQNSKYLQBLB-OUCADQQQSA-N	313.239	1.621	50	20	DDGD	
O=C(NN=Cc1cccc(-c2ccccn2)c1)C(=O)N1CCCC1	747753559	JAQGNOGLKAMGRN-UHFFFAOYSA-N	322.368	1.821	50	20	DDGD	
C[C@@H](O)CN(C)NC(=O)[C@]1(C(=O)OC(C)(C)C)CC1(C)C	910138214	DGXQVZUNPJSGNK-BMIGLBTASA-N	300.399	1.088	50	20	DDGD	
O=C(NNc1ccc(F)cc1)[C@@H]1CCN[C@@H]([C@@H]2CCCO2)C1	912447902	LAQOUPDYOHWAPB-DFBGVHRSSA-N	307.369	1.816	50	20	DDGD	
N#Cc1ccc(NNC(=O)C[C@H]2Oc3ccccc3NC2=O)cc1	748106208	LTGIBDWWUOGKJD-OAHLLOKOSA-N	322.324	1.791	50	20	DDGD	
COC(=O)Cc1ccc(NNC(=O)NCCCOC(C)C)cc1	844850477	UAFUFQQHIQADHA-UHFFFAOYSA-N	323.393	1.843	50	20	DDGD	
C[C@H]1C[C@H](NC(=O)NNC(=O)CCc2ccccc2)CCN1	841988920	XIWAGQNRXUHYOW-GXTWGEPZSA-N	304.394	1.090	50	20	DDGD	
Cc1c(C(=O)O)oc2c1C(=NNC(=O)c1cnccn1)CCC2	915959736	ITPURYRFIIZGSX-UHFFFAOYSA-N	314.301	1.547	50	20	DDGD	
C[C@H]1CC[C@H](C)N1CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	746092169	VEPCZGJRSDUKGI-QWRGUYRKSA-N	320.349	1.229	50	20	DDGD	
Cc1nc(CC(=O)NN=C2COc3cc(O)ccc32)cs1	915947123	FRJHEJIEFSMOGE-UHFFFAOYSA-N	303.343	1.613	50	20	DDGD	
Cc1ccsc1CCCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843663687	XZCANXMVWRHXJM-NWDGAFQWSA-N	310.419	1.952	50	20	DDGD	
CCCCCCN(C)CC(=O)NNc1ccnc(N(C)C)n1	740102339	ICFBVOFXGDEMJT-UHFFFAOYSA-N	308.430	1.498	50	20	DDGD	
COc1cc(C(C)=O)ccc1SCC(=O)NNC(=O)C(C)C	747144478	HRWVFTXPCCXCNV-UHFFFAOYSA-N	324.402	1.793	50	20	DDGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)c1cnn(C)c1	743444395	LSMONGOBUZWAQJ-UHFFFAOYSA-N	301.306	1.664	50	20	DDGD	
CSSCCNC(=O)N1CCC(OCCCN)CC1	841899373	BTNAGVVHFZMTTJ-UHFFFAOYSA-N	307.485	1.537	50	20	DDGD	
Cc1c(C(=O)NNC(=O)c2cccc3cccnc23)cnn1C	747424650	ACSAMDRVVZJUPI-UHFFFAOYSA-N	309.329	1.352	50	20	DDGD	
O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1O)Nc1nccs1	743817343	UETRKRXMHCJRNC-UHFFFAOYSA-N	323.290	1.223	50	20	DDGD	
CC(CN1Cc2ccccc2C1)=NNC(=O)[C@H]1CCO[C@@H]1C	842560510	MIJWOIFGASQCEQ-CJNGLKHVSA-N	301.390	1.919	50	20	DDGD	
COCCNC(=S)NNC(=O)Nc1ccc(C)cc1Cl	741863425	SUKVGJIPVIWDER-UHFFFAOYSA-N	316.814	1.795	50	20	DDGD	
O=C(NNc1nc(-c2ccccn2)nc2c1CCC2)c1cc[nH]n1	747984909	VFJZFJDGDOLSDB-UHFFFAOYSA-N	321.344	1.507	50	20	DDGD	
O=C(NN=C1CCCC[C@@H]1N1CCCCC1)c1cnccn1	748781082	SCUVBJHWMXSTAH-HNNXBMFYSA-N	301.394	1.991	50	20	DDGD	
CO[C@](C)(C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccccc1F	843654563	GEVNZLSICULRTO-USBNGQNGSA-N	324.352	1.260	50	20	DDGD	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)CCOc1ccccc1	744506679	UOZITYOXPFSSKR-LLVKDONJSA-N	316.361	1.584	50	20	DDGD	
C[C@@H](Cc1cnc[nH]1)C(=O)NNC(=O)CCCc1ccccc1	847432291	HNJWXUZHVHKVGE-ZDUSSCGKSA-N	314.389	1.759	50	20	DDGD	
O=C(NC[C@@H]1CCCNC1)NNc1cc(F)c(F)cc1F	841924064	SBKRWUPQRKEKNZ-MRVPVSSYSA-N	302.300	1.730	50	20	DDGD	
COC(=O)c1cccc(NNC(=O)N[C@@H]2CCC[C@@H](N)C2)c1F	841980872	IXBRWVKYAYEOHF-NXEZZACHSA-N	324.356	1.508	50	20	DDGD	
CN1C(=O)C(=NNC(=O)Cc2ccccc2F)c2ccccc21	920967462	DEFVPMSZZMNSGL-UHFFFAOYSA-N	311.316	1.865	50	20	DDGD	
CN(C)c1ccnc(CNC(=O)NNC(=O)OC(C)(C)C)c1	924650505	WMTYRMVEOYHGTJ-UHFFFAOYSA-N	309.370	1.387	50	20	DDGD	
O=C(COCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@H]2C1	852132480	WJECFZVFQBIQRJ-KGLIPLIRSA-N	303.362	1.286	50	20	DDGD	
CCN1CCN(C(=O)NC[C@@]2(C)C[C@@H]2Br)CC1=O	856902674	JHUCUABWTVOWPN-JOYOIKCWSA-N	318.215	1.034	50	20	DDGD	
CSCCNC(=S)NNC(=O)c1c(C)nc2ccccn12	752730063	HFIPGNFJJXZFOP-UHFFFAOYSA-N	323.447	1.115	50	20	DDGD	
Cn1nccc1CCNC(=O)NC[C@]1(C)C[C@@H]1Br	856848130	CDXYSFXWOZBLEF-JQWIXIFHSA-N	315.215	1.435	50	20	DDGD	
Cn1cc([C@@H]2OCCC[C@H]2C=NNC(=O)c2ccccn2)cn1	853254940	MSYNZKJVMBHNHC-SWLSCSKDSA-N	313.361	1.699	50	20	DDGD	
CC(C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)=C1CCCC1	855831711	CTXNBYHARLZHCT-UHFFFAOYSA-N	323.437	1.967	50	20	DDGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@H]2CCc3n[nH]cc3C2)o1	756954323	XEZSNCPCPPFRTI-VIFPVBQESA-N	314.349	1.641	50	20	DDGD	
CC(C)(C)[C@@H](Br)C(=O)NNC(=O)CC(F)(F)F	855000740	OIIJVJISEVQGDZ-LURJTMIESA-N	319.121	1.896	50	20	DDGD	
Cc1c(/C=C(\C#N)C(=O)Nc2cccnc2O)cc(C#N)n1C	751398647	JQPRFFQGCSAWQZ-WUXMJOGZSA-N	307.313	1.851	50	20	DDGD	
N#CSCCCNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1	854362905	GYRJNWCCURCWQS-GFCCVEGCSA-N	318.402	1.151	50	20	DDGD	
C[C@]1(CNC(=O)NCC(F)(F)CN)C[C@@H]1Br	857103088	BMXLLKIHLLZQAO-POYBYMJQSA-N	300.147	1.053	50	20	DDGD	
C[C@@H]1CN(C(=O)NC[C@]2(C)C[C@H]2Br)CCCO1	856952609	CMXRWDFNKXTOIC-FOGDFJRCSA-N	305.216	1.980	50	20	DDGD	
O=C(CCc1cscn1)NNC(=O)c1ccc2c(c1)OCO2	921054708	ASLJOOXHMKMGBM-UHFFFAOYSA-N	319.342	1.266	50	20	DDGD	
Cc1ncc(C(=O)NNc2ccc(C#N)c(Cl)c2)c(N)n1	753524020	RZZPCNFXDDNXNR-UHFFFAOYSA-N	302.725	1.649	50	20	DDGD	
C[C@H]1CC(=NNC(=O)c2cc([N+](=O)[O-])ccc2O)CN1C1CC1	753961758	ZIIPRKYXQFIPAY-VIFPVBQESA-N	318.333	1.643	50	20	DDGD	
O=C(CCCC[C@@H]1CCSS1)N[C@]1(CO)CCOC1	754597396	RGHWSGTYJTYMHK-YPMHNXCESA-N	305.465	1.968	50	20	DDGD	
COCC1(CNC(=O)NNC(=O)c2cccc(F)n2)CCCC1	852375347	AUIDGYGAZHYJQV-UHFFFAOYSA-N	324.356	1.372	50	20	DDGD	
Nc1ncc([N+](=O)[O-])cc1C(=O)NNc1c(F)cccc1F	758185568	NPPZKYCDTIXTEF-UHFFFAOYSA-N	309.232	1.607	50	20	DDGD	
CCC[C@@H]1C[C@H](C(=O)NNC(=O)OCC(F)(F)F)CCO1	856023138	ZVLLEQAGIZNGAE-RKDXNWHRSA-N	312.288	1.901	50	20	DDGD	
Cc1nn(C)cc1C=NNC(=O)c1cc(Br)c[nH]1	755616295	BNRDOMGWMJEPSU-UHFFFAOYSA-N	310.155	1.583	50	20	DDGD	
COc1ccccc1OCC(=O)NNC(=O)CSC(C)C	920424292	PUWBMKHVVYCXSP-UHFFFAOYSA-N	312.391	1.363	50	20	DDGD	
CSSCCNC(=O)NCCN1C[C@@H](C)OC[C@@H]1C	854051313	QYHAZRLRCNYMAH-WDEREUQCSA-N	307.485	1.406	50	20	DDGD	
Cc1c(C(=O)NNC(=S)NCC2CCC2)cnn1C(C)(C)C	855092109	QNHVODMWZVHIPK-UHFFFAOYSA-N	323.466	1.856	50	20	DDGD	
C[C@]1(CNC(=O)NC[C@@H](O)c2ccco2)C[C@@H]1Br	856950763	IGTPGSJFGYHBDG-UBHAPETDSA-N	317.183	1.786	50	20	DDGD	
CCC1(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)COC1	755092775	YMGIFAYUJYJWOD-UHFFFAOYSA-N	315.329	1.529	50	20	DDGD	
CC(=O)N1CCC(C(=O)NC[C@@]2(C)C[C@H]2Br)CC1	857403899	KJRMBQABQGRJMI-DGCLKSJQSA-N	317.227	1.535	50	20	DDGD	
COC[C@](C)(NC(=O)NNc1cccc(F)n1)C(F)(F)F	932323389	OPZKFPPNOFYCFW-JTQLQIEISA-N	310.251	1.814	50	20	DDGD	
C[C@H]1C[C@@H]1C(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1	753780147	OKMPKOYCKGZSKY-KWQFWETISA-N	310.737	1.300	50	20	DDGD	
CNC(=S)N(C)NC(=O)CCc1ncc(-c2ccccc2)o1	854926732	JKEXXVZABIDIIM-UHFFFAOYSA-N	318.402	1.742	50	20	DDGD	
Cc1ccc(Br)c(C(=O)NNC(=O)NC(C)C)n1	930996156	LCXBIOCLXUDHGS-UHFFFAOYSA-N	315.171	1.505	50	20	DDGD	
CN(C)C(=O)Cn1ccc(NC(=O)NNc2ccccc2)n1	769991722	FXPGXANJTRQGEX-UHFFFAOYSA-N	302.338	1.120	50	20	DDGD	
O=C(NNC(=O)N1CCOCC1)c1ccnc(-c2ccco2)c1	931114045	KTUQTFFDSFXIRW-UHFFFAOYSA-N	316.317	1.028	50	20	DDGD	
C[C@]1(C(=O)NC[C@@H]2CCCN(C(N)=O)C2)C[C@@H]1Br	1119569155	BFQVXEXMTXPJQI-AUTRQRHGSA-N	318.215	1.067	50	20	DDGD	
Cc1cccc(NNC(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)n1	862524803	VNQQHUOPNZIMSE-BDAKNGLRSA-N	316.283	1.290	50	20	DDGD	
CCC1(Cn2cc(C(=O)NN(C)c3ccccc3)nn2)COC1	863854690	WHGICQSOCOOSSQ-UHFFFAOYSA-N	315.377	1.486	50	20	DDGD	
Cc1cc(C)n2nc(C)c(C(=O)NN[C@@H](C)C(F)(F)F)c2n1	862309802	PEYCMIIRYANZJL-VIFPVBQESA-N	315.299	1.840	50	20	DDGD	
COC(=O)c1csc(/C=C(\C#N)S(=O)(=O)N(C)C)c1	865223112	FTDBLTBCJPLVIJ-BJMVGYQFSA-N	300.361	1.291	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2ccc(C)c(-n3cccc3)c2)n[nH]1	765587042	NKNFEARGIHQHIT-UHFFFAOYSA-N	323.356	1.892	50	20	DDGD	
CCS(=O)(=O)c1ccccc1C(=O)NN[C@H](C)C(F)(F)F	862304340	AMGJVTMIABSBEW-MRVPVSSYSA-N	324.324	1.665	50	20	DDGD	
CC[C@@H]1C[C@@H](C)CCC1=NNC(=O)N[C@H]1CCS(=O)(=O)C1	769570715	QLEAFONOQJQAFH-TUAOUCFPSA-N	315.439	1.675	50	20	DDGD	
O=C(NN=Cc1ccccc1O)c1cc([N+](=O)[O-])ccc1O	864323457	GUEWDWILZLGGFR-UHFFFAOYSA-N	301.258	1.770	50	20	DDGD	
COc1cccc(NNC(=O)c2ccc(OC)c(Cl)n2)n1	768408697	AACYFQPFXUHKJT-UHFFFAOYSA-N	308.725	1.904	50	20	DDGD	
N#Cc1ccc(NNC(=O)/C=C/CN2CCOCC2)cc1Cl	867378105	RESOSWSVTIILRY-OWOJBTEDSA-N	320.780	1.543	50	20	DDGD	
Cc1cccc(NNC(=O)COCCNC(=O)OC(C)(C)C)n1	862522675	CFQHGUHPVPNFBJ-UHFFFAOYSA-N	324.381	1.374	50	20	DDGD	
C[C@H](CC(F)(F)F)NC(=O)NNC(=O)c1cccc(C#N)c1	766607288	WBEWXCMNBVWPDS-MRVPVSSYSA-N	314.267	1.843	50	20	DDGD	
Cc1cc(C)n(CC(=O)NN=Cc2cccc(-n3cccn3)c2)n1	760232905	NKSDLQASJVOSDW-UHFFFAOYSA-N	322.372	1.836	50	20	DDGD	
CN(C)CC1(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)CC1	873781506	PPZICJZTTGIVPR-UHFFFAOYSA-N	319.449	1.692	50	20	DDGD	
O=C(NNc1ccc(Cl)nc1)N[C@@H]1CCn2ccnc2C1	779664898	FAHROIKNODTXKL-SECBINFHSA-N	306.757	1.573	50	20	DDGD	
COc1ccc(O)c([C@@H](C)NCC(=O)NNC(=O)C(C)(C)C)c1	775375534	MUNDYLFUYGULFX-SNVBAGLBSA-N	323.393	1.245	50	20	DDGD	
CCOC(=O)c1cnc(NNC(=O)C=C2CCCC2)nc1C	778422775	UXBSDGLLOIVSLL-UHFFFAOYSA-N	304.350	1.905	50	20	DDGD	
CC(=O)CCCC(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	772367498	CPZLORUQDQPKBH-UHFFFAOYSA-N	320.345	1.059	50	20	DDGD	
COCCOCC(=O)NN=Cc1c(C)[nH]c2ccc(F)cc12	872401520	YHHSVPHJECVSRH-UHFFFAOYSA-N	307.325	1.729	50	20	DDGD	
CS/C=C\C(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1	770966764	YFUZSHYKCPNBOY-WAYWQWQTSA-N	322.394	1.607	50	20	DDGD	
CCCn1cc(C(=O)NNC(=O)CCc2ccccc2)c(C)n1	1120687533	GUBPONFLESHCHP-UHFFFAOYSA-N	314.389	1.995	50	20	DDGD	
Cc1cc(C)nc(NNC(=O)c2cccc([S@](C)=O)c2)n1	771111990	LDEAMOQSWBEVPT-NRFANRHFSA-N	304.375	1.588	50	20	DDGD	
O=C(NNc1ccccn1)c1c[nH]n2c1nc(=O)c1ccccc12	777470207	GFKODUYXMLQYAQ-UHFFFAOYSA-N	320.312	1.328	50	20	DDGD	
CNC(=O)NC(=O)COC(=O)CCCC[C@@H]1CCSS1	786590562	SHNZYHUYNVKSII-SECBINFHSA-N	320.436	1.699	50	20	DDGD	
COc1ccc(NNC(=O)NCCOc2cccnc2)nc1	780987169	BNVNREZQSVEFDH-UHFFFAOYSA-N	303.322	1.190	50	20	DDGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC[C@@H](C(N)=O)C1	781070975	NNAMULUJDWNEMZ-RKDXNWHRSA-N	305.216	1.520	50	20	DDGD	
O=C(NN=c1cc[nH]cc1)c1ccc(OC2CCOCC2)cc1	780759240	FLGJMKBFXIJNAG-UHFFFAOYSA-N	313.357	1.818	50	20	DDGD	
CCNC(=O)N(C)NC(=O)Cc1c[nH]c2cccc(OCC)c12	783700073	CWCOKXJLCAOATP-UHFFFAOYSA-N	318.377	1.802	50	20	DDGD	
C[C@H](CS(C)(=O)=O)C(=O)NNc1ccc(F)cc1Cl	885135549	FGIGMYXUWIBQIT-SSDOTTSWSA-N	308.762	1.603	50	20	DDGD	
O=C(NNC(=O)C1(c2cccc(F)c2)CCC1)c1cccnn1	882057393	AYYRZGSOSULPKL-UHFFFAOYSA-N	314.320	1.499	50	20	DDGD	
C[C@H](C(=O)NNc1nnc(-c2ccccn2)s1)n1cccn1	788554933	GEEBKHNZSXMOEU-SECBINFHSA-N	315.362	1.501	50	20	DDGD	
CC(C)[C@@H](C(=O)NNC(=O)C1CCOCC1)c1cccnc1	883069306	CUUGZJMTPCPJBF-CQSZACIVSA-N	305.378	1.395	50	20	DDGD	
O=C(NNC(=O)N1CCC[C@H]1C1CCCCC1)c1cccnn1	883849682	IAGXRLSTWKQADR-AWEZNQCLSA-N	317.393	1.876	50	20	DDGD	
O=C(NNC(=O)[C@H]1CCCCN1C1CCCC1)C1CCOCC1	883068672	DPBICSSLIYCVDJ-OAHLLOKOSA-N	323.437	1.358	50	20	DDGD	
CC1(C(=O)OCC(=O)NNC(=O)c2ccccc2)CCCCC1	781269460	SNBODKUCUCCDJF-UHFFFAOYSA-N	318.373	1.961	50	20	DDGD	
O=C(NCc1ccco1)NNC(=O)c1c[nH]nc1-c1ccoc1	789910009	YKTFHZLBCNOFQB-UHFFFAOYSA-N	315.289	1.407	50	20	DDGD	
Cc1ccc(NC(=O)C(=O)NNc2ncc(F)cn2)cc1C	784950107	MAVAZBGYUPERNE-UHFFFAOYSA-N	303.297	1.314	50	20	DDGD	
CC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)[C@]1(C)CCCO1	782165908	GGJFLCFFFFUVLF-AWEZNQCLSA-N	306.322	1.852	50	20	DDGD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNc1ccc(C)c(C(=O)OC)c1	899138687	VHGDYOUIVJREBR-CHWSQXEVSA-N	320.345	1.424	50	20	DDGD	
CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	794622063	VJWGMQHCJLEIIY-RWMBFGLXSA-N	309.410	1.265	50	20	DDGD	
CC(C)(C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C(F)F	791448409	MIPRTQHVCFWBFU-JTQLQIEISA-N	314.288	1.265	50	20	DDGD	
CC(C)(C)N1CC[C@H]1C(=O)NNc1cc(C#N)cc(Cl)n1	897284193	SXBFYFAVCBUKBF-JTQLQIEISA-N	307.785	1.923	50	20	DDGD	
C[C@@H](OC[C@H]1CCCCO1)C(=O)NNC(=S)NC(C)(C)C	899995294	LRHXLIZXVLWELS-GHMZBOCLSA-N	317.455	1.254	50	20	DDGD	
CC1=C(C)CN(CC(=O)NNC(=O)c2ccc(C)cc2)CC1	796589986	PZPXRKBPSOUSMZ-UHFFFAOYSA-N	301.390	1.798	50	20	DDGD	
O=C(NNC(=O)c1cccc2ncccc12)c1csc(O)n1	792148151	LKXKHUXRCZRPBC-UHFFFAOYSA-N	314.326	1.472	50	20	DDGD	
CC(=NNC(=O)NCCc1cccs1)C(C)(C)n1cncn1	794498950	HDABJMMDFIRFDT-UHFFFAOYSA-N	320.422	1.993	50	20	DDGD	
CN(C)C(=O)NNS(=O)(=O)c1cccc(-c2ccccc2)c1	795306526	PGYODHRPNUHMBM-UHFFFAOYSA-N	319.386	1.818	50	20	DDGD	
CCOC(C)(OCC)C(=O)NNC(=O)c1cccc(F)c1F	790063418	JOXNKZAYCCIMGB-UHFFFAOYSA-N	316.304	1.515	50	20	DDGD	
N#C/C(=C/c1ccc(OCC(F)(F)F)c(F)c1)S(N)(=O)=O	799894078	NIBNKNYCRWQMSY-BAQGIRSFSA-N	324.255	1.920	50	20	DDGD	
O=C(NNC(=O)c1cccc(O)c1O)c1cc2c(s1)CCC2	790487286	LEBUDOMVHIPQQC-UHFFFAOYSA-N	318.354	1.723	50	20	DDGD	
CC[C@@H](C)CC(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	791496861	FRXKVIYSPXHTHW-LLVKDONJSA-N	306.362	1.735	50	20	DDGD	
O=C(CC(F)(F)F)NNC(=O)c1ccc(OCC2CC2)nc1	1318201656	GYMVGOQWSQDBTA-UHFFFAOYSA-N	317.267	1.584	50	20	DDGD	
Cc1nnc(O)c(C(=O)NNc2oc(C(C)C)nc2C#N)c1C	1318174026	VMOIHWPIZAIPLF-UHFFFAOYSA-N	316.321	1.539	50	20	DDGD	
COCCO[C@@H](C)C(=O)NN=Cc1nc(-c2ccccc2)c[nH]1	1318910796	PVTYGPNNBGHFLV-LBPRGKRZSA-N	316.361	1.578	50	20	DDGD	
C=C(C)COCCNC(=O)NNC(=O)c1ccc(OC)cc1	1319248321	PIQSOEXQKSGKPA-UHFFFAOYSA-N	307.350	1.232	50	20	DDGD	
COC(=O)c1cccc(C=NNC(=O)Cc2nc(C)cs2)c1	1319640252	HGINALOLZKKZIH-UHFFFAOYSA-N	317.370	1.931	50	20	DDGD	
COc1cc(C(=O)NNC(=O)Cc2ccccc2OC)ccn1	1317983394	HISUBFZQWYANBS-UHFFFAOYSA-N	315.329	1.103	50	20	DDGD	
CN1CCN(S(=O)(=O)CBr)c2cccnc21	272789732	IZXLAYZEGWWALM-UHFFFAOYSA-N	306.185	1.020	50	20	DDGD	
COC(=O)c1cc(C(=O)NNc2ccc(C(C)(C)C)nn2)c[nH]1	1325165764	KEBXQQOWGAFNMB-UHFFFAOYSA-N	317.349	1.646	50	20	DDGD	
Cc1c(C(=O)NNc2ncccc2F)cnn1C1CCOCC1	1322231202	RJXZIMMMMIQYHC-UHFFFAOYSA-N	319.340	1.834	50	20	DDGD	
CNC(=S)N(C)NC(=O)[C@H](c1cccc(Cl)c1)N(C)C	1328338873	JCMQXRAAGZZEOF-NSHDSACASA-N	314.842	1.410	50	20	DDGD	
COc1ccccc1OCC(=O)NN=Cc1cc(C)ncn1	1324160859	ARCROYMVPOEJHG-UHFFFAOYSA-N	300.318	1.323	50	20	DDGD	
CC[C@@H](C)n1nc(NC(=O)C(=O)NNc2cccnn2)cc1C	1321668033	SCNCJNYTYUMSMB-SECBINFHSA-N	317.353	1.034	50	20	DDGD	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1(Sc2ccccc2)CC1	1327150037	ITGLPRAWZWGECS-AAEUAGOBSA-N	320.414	1.884	50	20	DDGD	
Cc1ncc(Br)c(C(=O)NNC(=O)C(C)(C)C)n1	1320617553	KHPJYKWBRQZNTD-UHFFFAOYSA-N	315.171	1.355	50	20	DDGD	
O=C(Cc1cccc(Br)c1)N1CC[C@H](B(O)O)C1	585070002	UZDSYILERQLARZ-JTQLQIEISA-N	311.972	1.067	50	20	DDGD	
COCc1ncc(C(=O)NNc2nncc(N)c2Cl)s1	1340993052	VSZTVUWHKXVDQP-UHFFFAOYSA-N	314.758	1.072	50	20	DDGD	
O=C(NNc1cccc(Cl)c1Cl)N[C@H]1CCOC1=O	1346113101	FPMACSLHSQWLCJ-QMMMGPOBSA-N	304.133	1.935	50	20	DDGD	
COc1ccc(C(=O)NNC(=O)CC2(CSC)CC2)cc1	1346118876	ZOILHVYAEAPYAD-UHFFFAOYSA-N	308.403	1.990	50	20	DDGD	
CC[C@@H](F)C(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1	1353338179	GGDBHGJSXYXNAT-LLVKDONJSA-N	312.341	1.992	50	20	DDGD	
Cc1c(NNC(=O)[C@@H](C)c2cncnc2)cccc1C(=O)O	1607550697	NXUNVMRXYWCEHY-VIFPVBQESA-N	300.318	1.730	50	20	DDGD	
Cc1c(NNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)cccc1C(=O)O	1607552463	ONUWLEGESIKLOF-QWHCGFSZSA-N	314.345	1.674	50	20	DDGD	
O=C(O)Cn1cccc1C=NNC(=O)c1ccc(O)c(Cl)c1	1606354280	UDQPMWQZOFXWAI-UHFFFAOYSA-N	321.720	1.696	50	20	DDGD	
C[C@H]1CC(=O)CC[C@@H]1C(=O)NNc1ccc(F)c(C(=O)O)c1	1604646772	FSIKWVNAIZIMSN-KWQFWETISA-N	308.309	1.972	50	20	DDGD	
O=C(NNC(=O)[C@@]1(C(=O)O)CC=CCC1)c1cccc(Cl)n1	1605814891	ZLPMHHPIKOXEOR-CQSZACIVSA-N	323.736	1.307	50	20	DDGD	
O=C(O)/C=C\c1ccc(C(=O)NNc2ncc(F)cc2F)o1	1608658364	SYAYBJIZFGGRAJ-RQOWECAXSA-N	309.228	1.808	50	20	DDGD	
CN(NC(=O)/C=C/c1ccc(C(=O)O)o1)C(=O)OC(C)(C)C	1604195555	RFUZHPAQXBHSBB-SOFGYWHQSA-N	310.306	1.889	50	20	DDGD	
O=C(NNc1ccccc1C(=O)O)c1ccnc(-n2ccnc2)c1	1601561674	UOSYMRUZCAVBMX-UHFFFAOYSA-N	323.312	1.722	50	20	DDGD	
Cc1ncsc1C(=O)NNC(=O)[C@@H]1CC[C@@H]2C[C@@H](C)CN2C1	1548642479	OQPUVHYTUXODPY-YUSALJHKSA-N	322.434	1.333	50	20	DDGD	
Cc1cc(C(=O)O)ccc1NC(=O)NNC(=O)CC(F)(F)F	1610442260	QUZUJLGAEBEHCD-UHFFFAOYSA-N	319.239	1.798	50	20	DDGD	
CC(C)[C@@H]1N(C)C[C@]12C[C@H](O)[C@H](NC[C@@H]1[C@H](C)[C@@H]1Cl)C2	1550663978	IUHSNWQSRIFPIL-CYINXLQVSA-N	300.874	1.929	50	20	DDGD	
Cc1ccc(NC(=S)NNC(=O)[C@@H]2CSCN2)c(C)c1	1579723753	KRXMLSFCSJUGTR-NSHDSACASA-N	310.448	1.284	50	20	DDGD	
C#C[C@@H](NC(=O)NNc1ccc(C(=O)O)c(F)c1)[C@@H]1CCCO1	1588374503	YIAAHUFHPKMYKQ-OLZOCXBDSA-N	321.308	1.331	50	20	DDGD	
CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)C(C)(C)C#N)C2	1845162683	IRSOVMHJYLCXGQ-LLVKDONJSA-N	311.813	1.757	50	20	DDGD	
CC(C)C[C@@H](C)CC(=O)NNc1ccc(-c2nn[nH]n2)cn1	1589550255	UBPKAKWYSMRAOO-SNVBAGLBSA-N	303.370	1.777	50	20	DDGD	
N[C@@H]1CC[C@H](CC(=O)NNC(=O)c2cccc3cccnc23)C1	1580387827	XVHYLWCTFDWWCA-WCQYABFASA-N	312.373	1.513	50	20	DDGD	
COCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](F)Cl	1847475293	PRZGRNDAYAFSSE-JBLDHEPKSA-N	306.765	1.149	50	20	DDGD	
COc1c(C(=O)NNc2ccc(C)c(C(=O)O)c2)cnn1C	1599328159	MFGAFOGVNCINDU-UHFFFAOYSA-N	304.306	1.192	50	20	DDGD	
CCC(C)(CC)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	1590381212	AURNHPZQEQKVBM-UHFFFAOYSA-N	316.365	1.454	50	20	DDGD	
Cn1ncc(C(=O)O)c1C=NNC(=O)c1ccc2ccccc2n1	1594578902	GZTDORXHRZKVHQ-UHFFFAOYSA-N	323.312	1.430	50	20	DDGD	
Cc1cccc(NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)c1	1592235513	PKEITQUJJXXHIX-UHFFFAOYSA-N	324.344	1.697	50	20	DDGD	
CCC(O)(CC)CCNC(=O)NNc1cccc(C(=O)O)c1	1595322966	ANRBSKPCZKHJKC-UHFFFAOYSA-N	309.366	1.952	50	20	DDGD	
C[C@@H](CBr)CN(CCC(=O)O)C[C@H]1CCCO1	1592212821	ULBAOWZFVVFCOP-WDEREUQCSA-N	308.216	1.973	50	20	DDGD	
CN(C)c1cccc(C(=O)NN[C@H](C(=O)O)c2ccsc2)c1	1598335243	DVIAIZVZMDFHHM-ZDUSSCGKSA-N	319.386	1.874	50	20	DDGD	
Cc1ncc(C=NNC(=O)Nc2ccc(C(=O)O)cc2)c(C)n1	1776046401	OHDSHILGIOKQPF-UHFFFAOYSA-N	313.317	1.947	50	20	DDGD	
COC(=O)NNC(=O)c1ccc(-c2nc(C3CC3)n[nH]2)cc1	158902059	GZRUIXGUOLTQHQ-UHFFFAOYSA-N	301.306	1.350	50	20	DDGD	
Cc1ccc(NNC(=O)Cc2c(C)[nH]c3ccnn3c2=O)cc1	158925633	HWASZPYTLNJDIE-UHFFFAOYSA-N	311.345	1.325	50	20	DDGD	
CCCCNC(=O)NNC(=O)c1cnc(C(F)(F)F)nc1	160298992	PVAVKYYNTDVYJW-UHFFFAOYSA-N	305.260	1.240	50	20	DDGD	
O=S(=O)(CCCCCl)N1CCC[C@H](c2ccn[nH]2)C1	163423712	QISXRWOILMRTMC-NSHDSACASA-N	305.831	1.938	50	20	DDGD	
C[C@@H](NC(=O)c1ccoc1)C(=O)NNc1cccc([N+](=O)[O-])c1	151804405	ONCUDXBHYMMDGJ-SECBINFHSA-N	318.289	1.449	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)[C@H](C)Oc2cccc(F)c2)[nH]n1	153084845	DHALUWGLLYUJSG-VIFPVBQESA-N	306.297	1.086	50	20	DDGD	
Cc1cc(C(=O)NNC(=O)c2cnn(C3CCCC3)c2C)[nH]n1	157908288	BUMQQPCCAFFGOK-UHFFFAOYSA-N	316.365	1.413	50	20	DDGD	
CC(C)(C)S(=O)(=O)CC(=O)NNc1cc(F)c(F)cc1F	159476666	ACEIGIGDADLKLF-UHFFFAOYSA-N	324.324	1.760	50	20	DDGD	
O=C(O)[C@@H](NS(=O)(=O)CBr)c1cccs1	380146418	WWDGVYQJKQRVRM-LURJTMIESA-N	314.182	1.146	50	20	DDGD	
O=C1CCCN1[C@H]1CCCN(CCI)C1	759362165	YOSJMXXWSAIIQL-JTQLQIEISA-N	322.190	1.508	50	20	DDGD